diff --git a/.gitignore b/.gitignore index c6e5be2..da72774 100644 --- a/.gitignore +++ b/.gitignore @@ -1,4 +1,22 @@ -build/ -.vscode +# Byte-compiled / optimized / DLL files __pycache__/ -PKG-INFO \ No newline at end of file +*.py[co] +*$py.class + +# Mac meta stuff +# DS_Store +.DS_Store + +# Ignore build related files +/dist +/build +/.eggs/ +/pyrun/ + +# Ignore accidental test data +/*.cif +/*.pdb +/*.ent +/*.json +/*.mtz +/*.crd \ No newline at end of file diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..773c65a --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,44 @@ +[build-system] +requires = ["setuptools", "setuptools-scm"] +build-backend = "setuptools.build_meta" + +[project] +name = "iris_validation" +dynamic=["version"] +description = "A package for interactive all-in-one graphical validation of 3D protein model iterations" +readme = "README.md" +requires-python = ">=3.8" +classifiers = [ + "License :: OSI Approved :: MIT License", + "Operating System :: OS Independent", + "Programming Language :: Python :: 3.8", +] +authors = [ + { name = "William Rochira", email = "william.rochira@hotmail.co.uk" }, + { name = "Jon Agirre", email = "jon.agirre@york.ac.uk" } +] +maintainers = [ + { name = "Jon Agirre", email = "jon.agirre@york.ac.uk" }, +] +dependencies = [ + "svgwrite == 1.3.1" +] + +[tool.setuptools] +include-package-data = true + +[tool.setuptools_scm] +version_file = "src/iris_validation/_version.py" + +[project.urls] +Homepage = "https://github.com/glycojones/iris-validation" +Issues = "https://github.com/glycojones/iris-validation/issues" + +[tool.pytest.ini_options] +markers = [ + "slow: marks tests as slow (deselect with '-m \"not slow\"')", + "simple: a simple test to get output quickly (deselect with '-m \"not simple\"')", + "tortoize: runs tortoize tests (deselect with '-m \"not tortoize\"')", + "molprobity: runs molprobity tests (deselect with '-m \"not molprobity\"')", + "problem", +] \ No newline at end of file diff --git a/requirements.txt b/requirements.txt deleted file mode 100644 index 38068e5..0000000 --- a/requirements.txt +++ /dev/null @@ -1 +0,0 @@ -svgwrite diff --git a/setup.py b/setup.py deleted file mode 100644 index a4d2104..0000000 --- a/setup.py +++ /dev/null @@ -1,29 +0,0 @@ -import setuptools - -with open('README.md', 'r') as infile: - readme = infile.read() - -setuptools.setup( - name='iris-validation', - version='0.2.1', - author='William Rochira', - author_email='william.rochira@hotmail.co.uk', - maintainer='Ali Khan', - maintainer_email='ak2535@york.ac.uk', - description='A package for interactive all-in-one graphical validation of 3D protein model iterations', - long_description=readme, - long_description_content_type='text/markdown', - packages=setuptools.find_packages(), - package_data={'iris_validation': [ - 'metrics/percentiles/data/*', - 'metrics/rotamer/data/*', - 'graphics/js/*',]}, - include_package_data=True, - url='https://github.com/glycojones/iris-validation', - classifiers=[ - 'Programming Language :: Python :: 3.7', - 'License :: OSI Approved :: MIT License', - 'Operating System :: OS Independent' ], - python_requires='>=3', - install_requires="svgwrite" -) diff --git a/iris_validation/__init__.py b/src/iris_validation/__init__.py similarity index 54% rename from iris_validation/__init__.py rename to src/iris_validation/__init__.py index 18b689a..5610dc8 100644 --- a/iris_validation/__init__.py +++ b/src/iris_validation/__init__.py @@ -1,8 +1,11 @@ import os +import sys +import json from iris_validation.graphics import Panel from iris_validation.metrics import metrics_model_series_from_files +PYTEST_RUN = 'pytest' in sys.modules def generate_report( latest_model_path, @@ -27,27 +30,30 @@ def generate_report( percentile_bar_range=None, wrap_in_html=True, output_dir=None, + output_name_prefix="report", + custom_labels={'Latest':'Latest', 'Previous':'Previous'} ): - model_paths = (previous_model_path, latest_model_path) - reflections_paths = (previous_reflections_path, latest_reflections_path) - sequence_paths = (previous_sequence_path, latest_sequence_path) - distpred_paths = (previous_distpred_path, latest_distpred_path) - model_json_paths = (previous_model_metrics_json, latest_model_metrics_json) + # sanitise output file name + output_name_prefix = output_name_prefix.replace('/','_').replace('.','_') - model_series = metrics_model_series_from_files( - model_paths, - reflections_paths, - sequence_paths, - distpred_paths, - run_covariance, - run_molprobity, - calculate_rama_z, - model_json_paths, - data_with_percentiles, - multiprocessing, - ) + model_series = metrics_model_series_from_files((previous_model_path, latest_model_path), + (previous_reflections_path, latest_reflections_path), + (previous_sequence_path, latest_sequence_path), + (previous_distpred_path, latest_distpred_path), + (previous_model_metrics_json, latest_model_metrics_json), + run_covariance, + run_molprobity, + calculate_rama_z, + data_with_percentiles, + multiprocessing) + model_series_data = model_series.get_raw_data() + + if PYTEST_RUN : + with open(os.path.join(output_dir, output_name_prefix + ".json"), 'w', encoding='utf8') as json_output : + json.dump(model_series_data, json_output, indent=2) + panel = Panel( model_series_data, continuous_metrics_to_display=continuous_metrics_to_display, @@ -55,6 +61,7 @@ def generate_report( residue_bars_to_display=residue_bars_to_display, percentile_bar_label=percentile_bar_label, percentile_bar_range=percentile_bar_range, + custom_labels=custom_labels ) panel_string = panel.dwg.tostring() @@ -68,5 +75,5 @@ def generate_report( os.mkdir(output_dir) extension = 'html' if wrap_in_html else 'svg' - with open(os.path.join(output_dir, f'report.{extension}'), 'w', encoding='utf8') as outfile: + with open(os.path.join(output_dir, f"{output_name_prefix}.{extension}"), 'w', encoding='utf8') as outfile: outfile.write(panel_string) diff --git a/iris_validation/_defs.py b/src/iris_validation/_defs.py similarity index 100% rename from iris_validation/_defs.py rename to src/iris_validation/_defs.py diff --git a/iris_validation/graphics/__init__.py b/src/iris_validation/graphics/__init__.py similarity index 100% rename from iris_validation/graphics/__init__.py rename to src/iris_validation/graphics/__init__.py diff --git a/iris_validation/graphics/chain.py b/src/iris_validation/graphics/chain.py similarity index 94% rename from iris_validation/graphics/chain.py rename to src/iris_validation/graphics/chain.py index 53bc591..d4c0704 100644 --- a/iris_validation/graphics/chain.py +++ b/src/iris_validation/graphics/chain.py @@ -5,6 +5,7 @@ from svgwrite.animate import Animate from iris_validation._defs import COLORS, CHAIN_VIEW_RINGS, CHAIN_VIEW_GAP_ANGLE +from iris_validation._version import version_tuple class ChainView: @@ -142,21 +143,35 @@ def _draw(self): # Draw center text self.dwg.add(self.dwg.text(text='Iris', - insert=(self.center[0], self.center[1]-24), - font_size=1.5*16, + insert=(self.center[0], self.center[1]-22), + font_size=1.5*18, font_family='Arial', font_weight='bold', text_anchor='middle', alignment_baseline='central')) + self.dwg.add(self.dwg.text(text='Release ' + '.'.join(map(str, version_tuple[:3])), + insert=(self.center[0], self.center[1]), + font_size=14, + font_family='Arial', + text_anchor='middle', + alignment_baseline='central')) self.dwg.add(self.dwg.text(text='Chain ' + self.data['chain_id'], - insert=(self.center[0], self.center[1]+16), + insert=(self.center[0], self.center[1]+18), font_size=16, font_family='Arial', text_anchor='middle', alignment_baseline='central')) if self.data['has_molprobity']: self.dwg.add(self.dwg.text(text='MolProbity', - insert=(self.center[0], self.center[1]+48), + insert=(self.center[0], self.center[1]+50), + font_size=16, + font_family='Arial', + text_anchor='middle', + alignment_baseline='central', + fill=COLORS['L_GREY'])) + elif self.data['has_rama_z']: + self.dwg.add(self.dwg.text(text='Tortoize', + insert=(self.center[0], self.center[1]+50), font_size=16, font_family='Arial', text_anchor='middle', diff --git a/iris_validation/graphics/js/constants.js b/src/iris_validation/graphics/js/constants.js similarity index 90% rename from iris_validation/graphics/js/constants.js rename to src/iris_validation/graphics/js/constants.js index c285d33..2d816ae 100644 --- a/iris_validation/graphics/js/constants.js +++ b/src/iris_validation/graphics/js/constants.js @@ -1,4 +1,5 @@ const modelData = {model_data}; +const numVersions = {num_versions}; const numChains = {num_chains}; const boxMetricIDs = {box_metric_ids}; const barMetricIDs = {bar_metric_ids}; diff --git a/iris_validation/graphics/js/interaction.js b/src/iris_validation/graphics/js/interaction.js similarity index 99% rename from iris_validation/graphics/js/interaction.js rename to src/iris_validation/graphics/js/interaction.js index 8cbeda6..8e15a0e 100644 --- a/iris_validation/graphics/js/interaction.js +++ b/src/iris_validation/graphics/js/interaction.js @@ -1,4 +1,4 @@ -let selectedVersion = 1; +let selectedVersion = numVersions - 1; let selectedChain = 0; let selectedResidue = 0; @@ -294,7 +294,7 @@ function updateSelectedResidue() { // Set summary text let seqNum = modelData[selectedChain]['residue_seqnos'][selectedVersion][selectedResidue]; let aaCode = modelData[selectedChain]['residue_codes'][selectedVersion][selectedResidue]; - residueSummary.textContent = 'Residue ' + seqNum + ' (' + aaCode + ')'; + residueSummary.textContent = seqNum + ' (' + aaCode + ')'; }; diff --git a/iris_validation/graphics/panel.py b/src/iris_validation/graphics/panel.py similarity index 90% rename from iris_validation/graphics/panel.py rename to src/iris_validation/graphics/panel.py index 38aefa7..6f48eee 100644 --- a/iris_validation/graphics/panel.py +++ b/src/iris_validation/graphics/panel.py @@ -33,9 +33,11 @@ def __init__( residue_bars_to_display=None, percentile_bar_label=None, percentile_bar_range=None, + custom_labels={'Latest':'Latest', 'Previous':'Previous'} ): self.data = data self.canvas_size = canvas_size + self.custom_labels = custom_labels self.chain_view_rings = CHAIN_VIEW_RINGS if continuous_metrics_to_display: self.chain_view_rings = self.get_chain_view_rings( @@ -91,6 +93,7 @@ def _verify_chosen_metrics(self): def _generate_javascript(self): json_data = json.dumps(self.data) + num_versions = self.num_models num_chains = len(self.chain_ids) bar_metric_ids = [metric["id"] for metric in self.residue_view_bars] box_metric_ids = [ metric['id'] for metric in RESIDUE_VIEW_BOXES ] @@ -106,6 +109,7 @@ def _generate_javascript(self): js_constants = js_constants.format( model_data=json_data, + num_versions=num_versions, num_chains=num_chains, bar_metric_ids=bar_metric_ids, box_metric_ids=box_metric_ids, @@ -138,8 +142,8 @@ def _draw(self): middle_gap = 30 view_border = 10 view_title_font = 24 - button_width = 38 - button_height = 32 + button_width = 26 + button_height = 26 view_width, view_height = [ dim - view_border for dim in self.canvas_size ] view_divider_x = round(2/3 * view_width, 2) chain_view_bounds = (view_border, @@ -179,9 +183,15 @@ def _draw(self): font_size=view_title_font, font_family='Arial')) - self.dwg.add(self.dwg.text(text='Residue', + + self.dwg.add(self.dwg.text(text='Amino acid', insert=(residue_view_bounds[0], residue_view_bounds[1]+view_title_font), font_size=view_title_font, + font_family='Arial')) + + self.dwg.add(self.dwg.text(text='', + insert=(residue_view_bounds[0]+130, residue_view_bounds[1]+view_title_font), + font_size=16, font_family='Arial', id=f'{self.svg_id}-residue-summary')) @@ -196,9 +206,9 @@ def _draw(self): stroke_width=2)) # Chain selector buttons - for chain_index, chain_id in enumerate(self.chain_ids[:12]): + for chain_index, chain_id in enumerate(self.chain_ids[:16]): selector_color = self.swtich_colors[1] if chain_index == 0 else self.swtich_colors[0] - self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 50*chain_index, chain_view_bounds[1]), + self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 30*chain_index, chain_view_bounds[1]+5), size=(button_width, button_height), rx=5, stroke_opacity=0, @@ -207,13 +217,13 @@ def _draw(self): id=f'{self.svg_id}-chain-selector-{chain_index}')) self.dwg.add(self.dwg.text(text=chain_id, - insert=(chain_view_bounds[0] + 75 + button_width/2 + 50*chain_index, chain_view_bounds[1] + button_height/2), - font_size=view_title_font, + insert=(chain_view_bounds[0] + 75 + button_width/2 + 30*chain_index, chain_view_bounds[1] + 5 + button_height/2), + font_size=16, font_family='Arial', text_anchor='middle', alignment_baseline='central')) - self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 50*chain_index, chain_view_bounds[1]), + self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 30*chain_index, chain_view_bounds[1]+5), size=(button_width, button_height), rx=5, stroke_opacity=0, @@ -224,11 +234,11 @@ def _draw(self): # Extra chains dropdown # TODO: finish this - if len(self.chain_ids) > 12: - chain_index = 12 + if len(self.chain_ids) > 16: + chain_index = 16 selector_color = self.swtich_colors[0] - self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 50*chain_index, chain_view_bounds[1]), - size=(38, 32), + self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 30*chain_index, chain_view_bounds[1] +5), + size=(26, 26), rx=5, stroke_opacity=0, fill_opacity=0.5, @@ -236,12 +246,12 @@ def _draw(self): id=f'{self.svg_id}-chain-selector-dropdown')) self.dwg.add(self.dwg.text(text='...', - insert=(chain_view_bounds[0] + 85 + 50*chain_index, chain_view_bounds[1]+view_title_font), - font_size=view_title_font, + insert=(chain_view_bounds[0] + 80 + 30*chain_index, chain_view_bounds[1]+24), + font_size=16, font_family='Arial')) - self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 50*chain_index, chain_view_bounds[1]), - size=(38, 32), + self.dwg.add(self.dwg.rect(insert=(chain_view_bounds[0] + 75 + 30*chain_index, chain_view_bounds[1]+5), + size=(26, 26), rx=5, stroke_opacity=0, fill_opacity=0, @@ -250,12 +260,17 @@ def _draw(self): onclick=f'toggleDropdown();')) # Version toggle switch - self.dwg.add(self.dwg.text(text='Previous', + self.dwg.add(self.dwg.text(text='Model version', + insert=(chain_view_bounds[2]-380, chain_view_bounds[1]+20), + font_size=view_title_font, + font_family='Arial')) + + self.dwg.add(self.dwg.text(text=self.custom_labels['Previous'], insert=(chain_view_bounds[2]-215, chain_view_bounds[1]+20), font_size=16, font_family='Arial')) - self.dwg.add(self.dwg.text(text='Latest', + self.dwg.add(self.dwg.text(text=self.custom_labels['Latest'], insert=(chain_view_bounds[2]-55, chain_view_bounds[1]+20), font_size=16, font_family='Arial')) diff --git a/iris_validation/graphics/residue.py b/src/iris_validation/graphics/residue.py similarity index 99% rename from iris_validation/graphics/residue.py rename to src/iris_validation/graphics/residue.py index 6d9dd21..c5661ba 100644 --- a/iris_validation/graphics/residue.py +++ b/src/iris_validation/graphics/residue.py @@ -145,8 +145,8 @@ def _draw(self): self.dwg.add( self.dwg.text( self.percentile_bar_label, - insert=(self.canvas_size[0] / 2, bar_charts_bounds[3] + 50), - font_size=18, + insert=((self.canvas_size[0] / 2)+20, bar_charts_bounds[3] + 60), + font_size=24, font_family="Arial", fill=COLORS["BLACK"], fill_opacity=1, diff --git a/iris_validation/metrics/__init__.py b/src/iris_validation/metrics/__init__.py similarity index 90% rename from iris_validation/metrics/__init__.py rename to src/iris_validation/metrics/__init__.py index 6be127a..7757324 100644 --- a/iris_validation/metrics/__init__.py +++ b/src/iris_validation/metrics/__init__.py @@ -3,10 +3,11 @@ import subprocess import json import clipper +import sys -# from iris_validation.utils import ONE_LETTER_CODES -# from iris_validation.metrics.residue import MetricsResidue -# from iris_validation.metrics.chain import MetricsChain +from iris_validation.utils import ONE_LETTER_CODES +from iris_validation.metrics.residue import MetricsResidue +from iris_validation.metrics.chain import MetricsChain from iris_validation.metrics.model import MetricsModel from iris_validation.metrics.series import MetricsModelSeries from iris_validation.metrics.reflections import ReflectionsHandler @@ -188,6 +189,7 @@ def _get_tortoize_data(model_path, seq_nums, model_id=None, out_queue=None): tortoize_output = tortoize_process.communicate()[0] tortoize_dict = json.loads(tortoize_output) + residues = tortoize_dict["model"]["1"]["residues"] for res in residues: rama_z_data[res['pdb']['strandID']][res['pdb']['seqNum']] = res['ramachandran']['z-score'] @@ -198,17 +200,16 @@ def _get_tortoize_data(model_path, seq_nums, model_id=None, out_queue=None): return rama_z_data -def metrics_model_series_from_files( - model_paths, - reflections_paths=None, - sequence_paths=None, - distpred_paths=None, - run_covariance=False, - run_molprobity=False, - calculate_rama_z=False, - model_json_paths=None, - data_with_percentiles=None, - multiprocessing=True, +def metrics_model_series_from_files(model_paths, + reflections_paths=None, + sequence_paths=None, + distpred_paths=None, + model_json_paths=None, + run_covariance=False, + run_molprobity=False, + calculate_rama_z=False, + data_with_percentiles=None, + multiprocessing=True, ): try: if isinstance(model_paths, str): @@ -220,12 +221,12 @@ def metrics_model_series_from_files( raise ValueError('Argument \'model_paths\' should be an iterable of filenames') from exception path_lists = [ model_paths, reflections_paths, sequence_paths, distpred_paths, model_json_paths ] - for i in range(1, len(path_lists)): - if path_lists[i] is None: - path_lists[i] = tuple([ None for _ in model_paths ]) - if len(path_lists[i]) != len(model_paths) or \ - path_lists[i].count(None) not in (0, len(path_lists[i])): - raise ValueError('Path arguments should be equal-length iterables of filenames') + # for i in range(1, len(path_lists)): + # if path_lists[i] is None: + # path_lists[i] = tuple([ None for _ in model_paths ]) + # if len(path_lists[i]) != len(model_paths) or \ + # path_lists[i].count(None) not in (0, len(path_lists[i])): + # raise ValueError('Path arguments should be equal-length iterables of filenames') all_minimol_data = [ ] all_covariance_data = [ ] @@ -254,6 +255,7 @@ def metrics_model_series_from_files( rama_z_data = None bfactor_data = None + # load external metric data from the provided json file path if json_data_path: check_resnum = True with open(json_data_path, "r") as j: @@ -278,8 +280,9 @@ def metrics_model_series_from_files( 'out_queue': results_queue }) p.start() num_queued += 1 + print ("Adding covariance data") else: - covariance_data = _get_covariance_data(model_path, sequence_path, distpred_path) + covariance_data = _get_covariance_data(model_path, sequence_path, distpred_path, seq_nums) if run_molprobity: if multiprocessing: p = Process(target=_get_molprobity_data, @@ -288,6 +291,7 @@ def metrics_model_series_from_files( 'out_queue': results_queue }) p.start() num_queued += 1 + print ("Adding molprobity data") else: molprobity_data = _get_molprobity_data(model_path, seq_nums) if reflections_path is not None: @@ -298,6 +302,7 @@ def metrics_model_series_from_files( 'out_queue': results_queue }) p.start() num_queued += 1 + print ("Adding reflection data") else: reflections_data = _get_reflections_data(model_path, reflections_path) if calculate_rama_z: @@ -308,6 +313,7 @@ def metrics_model_series_from_files( 'out_queue': results_queue }) p.start() num_queued += 1 + print ("Adding tortoize data") else: rama_z_data = _get_tortoize_data(model_path, seq_nums) @@ -323,12 +329,13 @@ def metrics_model_series_from_files( result_type, model_id, result = results_queue.get() if result_type == 'covariance': all_covariance_data[model_id] = result + if result_type == 'rama_z': + all_rama_z_data[model_id] = result if result_type == 'molprobity': all_molprobity_data[model_id] = result if result_type == 'reflections': all_reflections_data[model_id] = result - if result_type == 'rama_z': - all_rama_z_data[model_id] = result + metrics_models = [ ] for model_id, model_data in enumerate( zip( diff --git a/iris_validation/metrics/chain.py b/src/iris_validation/metrics/chain.py similarity index 100% rename from iris_validation/metrics/chain.py rename to src/iris_validation/metrics/chain.py diff --git a/iris_validation/metrics/model.py b/src/iris_validation/metrics/model.py similarity index 100% rename from iris_validation/metrics/model.py rename to src/iris_validation/metrics/model.py diff --git a/iris_validation/metrics/percentiles/__init__.py b/src/iris_validation/metrics/percentiles/__init__.py similarity index 100% rename from iris_validation/metrics/percentiles/__init__.py rename to src/iris_validation/metrics/percentiles/__init__.py diff --git a/iris_validation/metrics/percentiles/data/percentiles_data.csv b/src/iris_validation/metrics/percentiles/data/percentiles_data.csv similarity index 100% rename from iris_validation/metrics/percentiles/data/percentiles_data.csv rename to src/iris_validation/metrics/percentiles/data/percentiles_data.csv diff --git a/iris_validation/metrics/percentiles/data/resolution_bins.csv b/src/iris_validation/metrics/percentiles/data/resolution_bins.csv similarity index 100% rename from iris_validation/metrics/percentiles/data/resolution_bins.csv rename to src/iris_validation/metrics/percentiles/data/resolution_bins.csv diff --git a/iris_validation/metrics/reflections.py b/src/iris_validation/metrics/reflections.py similarity index 100% rename from iris_validation/metrics/reflections.py rename to src/iris_validation/metrics/reflections.py diff --git a/iris_validation/metrics/residue.py b/src/iris_validation/metrics/residue.py similarity index 100% rename from iris_validation/metrics/residue.py rename to src/iris_validation/metrics/residue.py diff --git a/iris_validation/metrics/rotamer/__init__.py b/src/iris_validation/metrics/rotamer/__init__.py similarity index 100% rename from iris_validation/metrics/rotamer/__init__.py rename to src/iris_validation/metrics/rotamer/__init__.py diff --git a/iris_validation/metrics/rotamer/data/central_values.csv b/src/iris_validation/metrics/rotamer/data/central_values.csv similarity index 100% rename from iris_validation/metrics/rotamer/data/central_values.csv rename to src/iris_validation/metrics/rotamer/data/central_values.csv diff --git a/iris_validation/metrics/rotamer/data/library.gz b/src/iris_validation/metrics/rotamer/data/library.gz similarity index 100% rename from iris_validation/metrics/rotamer/data/library.gz rename to src/iris_validation/metrics/rotamer/data/library.gz diff --git a/iris_validation/metrics/series.py b/src/iris_validation/metrics/series.py similarity index 100% rename from iris_validation/metrics/series.py rename to src/iris_validation/metrics/series.py diff --git a/iris_validation/utils.py b/src/iris_validation/utils.py similarity index 100% rename from iris_validation/utils.py rename to src/iris_validation/utils.py diff --git a/tests/test_core.py b/tests/test_core.py index 7eeba58..6b360e4 100644 --- a/tests/test_core.py +++ b/tests/test_core.py @@ -1,35 +1,153 @@ import os import time +import pytest +import importlib from os import path -from iris_validation import generate_report +INPUT_DIR = './tests/test_data/' +OUTPUT_DIR = './tests/test_output/' + '{suffix}' +DATASET1_PATH = str(os.path.join(INPUT_DIR, "3atp")) + '{suffix}' +DATASET2_PATH = str(os.path.join(INPUT_DIR, "8ira")) + '{suffix}' -INPUT_DIR = './test_data/' -OUTPUT_DIR = './test_output/' +@pytest.mark.simple +def test_2m2d_noCOV_noMP_noRamaZ_mpro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "2m2d_noCOV_noMP_noRamaZ_mpro" + iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), + latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'), + previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'), + previous_reflections_path=DATASET1_PATH.format(suffix='_0cyc.mtz'), + output_dir=OUTPUT_DIR.format(suffix=""), + run_covariance=False, + run_molprobity=False, + calculate_rama_z=False, + multiprocessing=True, + output_name_prefix=job_name, + custom_labels={'Latest':'Refined', 'Previous':'Starting'} ) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") -PDB_ID = '2a0x' -ROOT_PATH = str(os.path.join(INPUT_DIR, PDB_ID)) + '{suffix}' +def test_2m0d_noCOV_noMP_noRamaZ_mpro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "2m0d_noCOV_noMP_noRamaZ_mpro" + iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), + previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'), + output_dir=OUTPUT_DIR.format(suffix=""), + run_covariance=False, + run_molprobity=False, + calculate_rama_z=False, + multiprocessing=True, + output_name_prefix=job_name) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") -if __name__ == '__main__': - t0 = time.time() - generate_report(latest_model_path=ROOT_PATH.format(suffix='_final.pdb'), - latest_reflections_path=ROOT_PATH.format(suffix='_final.mtz'), - latest_sequence_path=ROOT_PATH.format(suffix='.fasta'), - latest_distpred_path=ROOT_PATH.format(suffix='.npz'), - previous_model_path=ROOT_PATH.format(suffix='_0cyc.pdb'), - previous_reflections_path=ROOT_PATH.format(suffix='_0cyc.mtz'), - previous_sequence_path=ROOT_PATH.format(suffix='.fasta'), - previous_distpred_path=ROOT_PATH.format(suffix='.npz'), - run_covariance=False, - run_molprobity=False, - calculate_rama_z=True, - multiprocessing=True, - output_dir=OUTPUT_DIR) - assert path.exists(OUTPUT_DIR) +def test_2m2d_16chains_noCOV_noMP_noRamaZ_spro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "2m2d_16chains_noCOV_noMP_noRamaZ_spro" + iris.generate_report(latest_model_path=DATASET2_PATH.format(suffix='.cif'), + latest_reflections_path=DATASET2_PATH.format(suffix='.mtz'), + previous_model_path=DATASET2_PATH.format(suffix='_final.cif'), + previous_reflections_path=DATASET2_PATH.format(suffix='.mtz'), + output_dir=OUTPUT_DIR.format(suffix=""), + run_covariance=False, + run_molprobity=False, + calculate_rama_z=False, + multiprocessing=False, + output_name_prefix=job_name) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") - t1 = time.time() - print('Time taken:', round(t1-t0, 2), 's') - print() + +@pytest.mark.problem +def test_1m1d_noCOV_noMP_noRamaZ_mpro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "1m1d_noCOV_noMP_noRamaZ_mpro" + iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), + latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'), + output_dir=OUTPUT_DIR.format(suffix=""), + run_covariance=False, + run_molprobity=False, + calculate_rama_z=False, + multiprocessing=False, + output_name_prefix=job_name) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") + + +def test_1m1d_noCOV_noMP_noRamaZ_spro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "1m1d_noCOV_noMP_noRamaZ_spro" + iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), + latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'), + output_dir=OUTPUT_DIR.format(suffix=""), + run_covariance=False, + run_molprobity=False, + calculate_rama_z=False, + multiprocessing=False, + output_name_prefix=job_name) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") + +@pytest.mark.tortoize +def test_2m2d_noCOV_noMP_RamaZ_mpro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "2m2d_noCOV_noMP_RamaZ_mpro" + iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), + latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'), + latest_sequence_path=DATASET1_PATH.format(suffix='.fasta'), + latest_distpred_path=DATASET1_PATH.format(suffix='.npz'), + previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'), + previous_reflections_path=DATASET1_PATH.format(suffix='_0cyc.mtz'), + previous_sequence_path=DATASET1_PATH.format(suffix='.fasta'), + previous_distpred_path=DATASET1_PATH.format(suffix='.npz'), + run_covariance=False, + run_molprobity=False, + calculate_rama_z=True, + multiprocessing=False, + output_dir=OUTPUT_DIR.format(suffix=""), + output_name_prefix=job_name) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") + + +@pytest.mark.molprobity +def test_2m2d_noCOV_MP_noRamaZ_spro (): + import iris_validation as iris + importlib.reload(iris) + job_name = "test_2m2d_noCOV_MP_noRamaZ_spro" + iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), + latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'), + previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'), + previous_reflections_path=DATASET1_PATH.format(suffix='_0cyc.mtz'), + run_covariance=False, + run_molprobity=True, + calculate_rama_z=False, + multiprocessing=False, + output_dir=OUTPUT_DIR.format(suffix=""), + output_name_prefix=job_name) + assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") + + +# @pytest.mark.slow +# def test_2m2d_COV_MP_noRamaZ_spro (): +# import iris_validation as iris +# importlib.reload(iris) +# job_name = "test_2m2d_COV_MP_noRamaZ_spro" +# iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'), +# latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'), +# latest_sequence_path=DATASET1_PATH.format(suffix='.fasta'), +# latest_distpred_path=DATASET1_PATH.format(suffix='.npz'), +# previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'), +# previous_reflections_path=DATASET1_PATH.format(suffix='_0cyc.mtz'), +# previous_sequence_path=DATASET1_PATH.format(suffix='.fasta'), +# previous_distpred_path=DATASET1_PATH.format(suffix='.npz'), +# run_covariance=True, +# run_molprobity=True, +# calculate_rama_z=False, +# multiprocessing=False, +# output_dir=OUTPUT_DIR.format(suffix=""), +# output_name_prefix=job_name) +# assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html") \ No newline at end of file diff --git a/tests/test_data/2a0x.fasta b/tests/test_data/2a0x.fasta deleted file mode 100644 index b76388d..0000000 --- a/tests/test_data/2a0x.fasta +++ /dev/null @@ -1,2 +0,0 @@ ->2A0X_1|Chain A|Purine nucleoside phosphorylase|Homo sapiens (9606) -MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESLEKANFEEVLAAGKQAAQKLEQFVSILMASIPLPDKAS diff --git a/tests/test_data/2a0x_0cyc.mtz b/tests/test_data/2a0x_0cyc.mtz deleted file mode 100644 index 2d0bc5a..0000000 Binary files a/tests/test_data/2a0x_0cyc.mtz and /dev/null differ diff --git a/tests/test_data/2a0x_0cyc.pdb b/tests/test_data/2a0x_0cyc.pdb deleted file mode 100644 index a444b3f..0000000 --- a/tests/test_data/2a0x_0cyc.pdb +++ /dev/null @@ -1,2493 +0,0 @@ -HEADER TRANSFERASE 17-JUN-05 2A0X -TITLE STRUCTURE OF HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE H257F MUT -COMPND STRUCTURE OF HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE H257F MUT -EXPDTA X-RAY DIFFRACTION -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 5.8.0241 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, -REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.28 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.42 -REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE -REMARK 3 COMPLETENESS FOR RANGE (%) : 97.52 -REMARK 3 NUMBER OF REFLECTIONS : 25853 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING + TEST SET) : 0.23644 -REMARK 3 R VALUE (WORKING SET) : 0.23430 -REMARK 3 FREE R VALUE : 0.25605 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.0 -REMARK 3 FREE R VALUE TEST SET COUNT : 2868 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 20 -REMARK 3 BIN RESOLUTION RANGE HIGH : 2.280 -REMARK 3 BIN RESOLUTION RANGE LOW : 2.339 -REMARK 3 REFLECTION IN BIN (WORKING SET) : 1766 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.04 -REMARK 3 BIN R VALUE (WORKING SET) : 0.303 -REMARK 3 BIN FREE R VALUE SET COUNT : 226 -REMARK 3 BIN FREE R VALUE : 0.334 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 ALL ATOMS : 2296 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 47.272 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : -0.19 -REMARK 3 B22 (A**2) : -0.19 -REMARK 3 B33 (A**2) : 0.63 -REMARK 3 B12 (A**2) : -0.10 -REMARK 3 B13 (A**2) : 0.00 -REMARK 3 B23 (A**2) : 0.00 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): 0.207 -REMARK 3 ESU BASED ON FREE R VALUE (A): 0.182 -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL -REMARK 3 -REMARK 3 CORRELATION COEFFICIENTS. -REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.935 -REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.924 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT -REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2287 ; 0.017 ; 0.013 -REMARK 3 BOND LENGTHS OTHERS (A): 2643 ; 0.051 ; 0.018 -REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3097 ; 2.084 ; 1.646 -REMARK 3 BOND ANGLES OTHERS (DEGREES): 6218 ;30.961 ; 1.704 -REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 281 ; 1.247 ; 5.000 -REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 122 ;36.471 ;21.557 -REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 377 ;13.626 ;15.000 -REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 17 ;12.484 ;15.000 -REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 287 ; 0.256 ; 0.200 -REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2571 ; 0.067 ; 0.020 -REMARK 3 GENERAL PLANES OTHERS (A): 504 ; 0.059 ; 0.020 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1127 ; 1.416 ; 5.000 -REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1126 ; 1.416 ; 4.998 -REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1407 ; 2.318 ; 7.493 -REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 1408 ; 2.318 ; 7.495 -REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1160 ; 2.154 ; 5.148 -REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 1161 ; 2.153 ; 5.147 -REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 1691 ; 3.231 ; 7.609 -REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 2562 ; 4.869 ;58.638 -REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 2561 ; 4.862 ;58.626 -REMARK 3 -REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 -REMARK 3 NCS RESTRAINTS STATISTICS -REMARK 3 NUMBER OF NCS GROUPS : NULL -REMARK 3 -REMARK 3 TWIN DETAILS -REMARK 3 NUMBER OF TWIN DOMAINS : NULL -REMARK 3 -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : NULL -REMARK 3 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : MASK -REMARK 3 PARAMETERS FOR MASK CALCULATION -REMARK 3 VDW PROBE RADIUS : 1.20 -REMARK 3 ION PROBE RADIUS : 0.80 -REMARK 3 SHRINKAGE RADIUS : 0.80 -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: -REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS -REMARK 3 U VALUES : REFINED INDIVIDUALLY -REMARK 3 -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 14-NOV-04 -REMARK 200 TEMPERATURE (KELVIN) : 100.0 -REMARK 200 PH : 5.6 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : NSLS -REMARK 200 BEAMLINE : X29A -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.1000 -REMARK 200 MONOCHROMATOR : SAGITALLY FOCUSED SI(111) -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 29401 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.280 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 -REMARK 200 DATA REDUNDANCY : 9.000 -REMARK 200 R MERGE (I) : NULL -REMARK 200 R SYM (I) : 0.06200 -REMARK 200 FOR THE DATA SET : 36.7000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.36 -REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : 0.36400 -REMARK 200 FOR SHELL : 4.200 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS -REMARK 200 SOFTWARE USED: CNS -REMARK 200 STARTING MODEL: PDB ENTRY 1RSZ -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 76.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.70 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NA CITRATE, AMMONIUM SULFATE, PH 5.6, -REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC -REMARK 350 SOFTWARE USED: PISA,PQS -REMARK 350 TOTAL BURIED SURFACE AREA: 10790 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 30310 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -129.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 -REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 -REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 -REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 -REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 -REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 -CISPEP 1 GLY A 197 PRO A 198 0.00 -CRYST1 141.764 141.764 166.172 90.00 90.00 120.00 H 3 2 -SCALE1 0.007054 0.004073 0.000000 0.00000 -SCALE2 -0.000000 0.008145 0.000000 0.00000 -SCALE3 0.000000 -0.000000 0.006018 0.00000 -ATOM 1 N ASN A 3 10.236 -0.329 7.607 1.00 52.00 N -ATOM 2 CA ASN A 3 11.064 0.908 7.427 1.00 53.67 C -ATOM 3 CB ASN A 3 12.435 0.735 8.107 1.00 53.48 C -ATOM 4 CG ASN A 3 13.302 2.001 8.051 1.00 56.02 C -ATOM 5 OD1 ASN A 3 14.361 2.062 8.676 1.00 56.64 O -ATOM 6 ND2 ASN A 3 12.856 3.008 7.301 1.00 54.62 N -ATOM 7 C ASN A 3 11.246 1.186 5.936 1.00 52.79 C -ATOM 8 O ASN A 3 11.667 0.313 5.177 1.00 52.96 O -ATOM 9 N GLY A 4 10.920 2.405 5.520 1.00 51.53 N -ATOM 10 CA GLY A 4 11.055 2.756 4.120 1.00 50.87 C -ATOM 11 C GLY A 4 12.442 3.224 3.707 1.00 48.70 C -ATOM 12 O GLY A 4 12.669 3.486 2.526 1.00 49.95 O -ATOM 13 N TYR A 5 13.366 3.341 4.662 1.00 45.37 N -ATOM 14 CA TYR A 5 14.726 3.790 4.355 1.00 42.83 C -ATOM 15 CB TYR A 5 15.231 4.788 5.412 1.00 38.22 C -ATOM 16 CG TYR A 5 14.507 6.116 5.461 1.00 34.26 C -ATOM 17 CD1 TYR A 5 14.539 6.995 4.374 1.00 33.28 C -ATOM 18 CE1 TYR A 5 13.865 8.215 4.411 1.00 31.58 C -ATOM 19 CZ TYR A 5 13.150 8.564 5.549 1.00 33.45 C -ATOM 20 OH TYR A 5 12.477 9.760 5.590 1.00 35.95 O -ATOM 21 CE2 TYR A 5 13.104 7.709 6.643 1.00 32.39 C -ATOM 22 CD2 TYR A 5 13.782 6.493 6.593 1.00 31.90 C -ATOM 23 C TYR A 5 15.709 2.624 4.299 1.00 42.66 C -ATOM 24 O TYR A 5 15.621 1.702 5.094 1.00 43.61 O -ATOM 25 N THR A 6 16.638 2.672 3.351 1.00 43.15 N -ATOM 26 CA THR A 6 17.669 1.645 3.230 1.00 45.29 C -ATOM 27 CB THR A 6 17.980 1.308 1.772 1.00 46.44 C -ATOM 28 OG1 THR A 6 18.584 2.452 1.158 1.00 48.38 O -ATOM 29 CG2 THR A 6 16.713 0.949 1.011 1.00 47.66 C -ATOM 30 C THR A 6 18.912 2.324 3.793 1.00 44.68 C -ATOM 31 O THR A 6 18.942 3.546 3.915 1.00 44.68 O -ATOM 32 N TYR A 7 19.935 1.548 4.123 1.00 44.58 N -ATOM 33 CA TYR A 7 21.162 2.125 4.657 1.00 45.18 C -ATOM 34 CB TYR A 7 22.234 1.050 4.796 1.00 46.96 C -ATOM 35 CG TYR A 7 23.501 1.570 5.433 1.00 50.46 C -ATOM 36 CD1 TYR A 7 23.543 1.879 6.791 1.00 50.55 C -ATOM 37 CE1 TYR A 7 24.704 2.381 7.379 1.00 53.25 C -ATOM 38 CZ TYR A 7 25.832 2.577 6.599 1.00 54.01 C -ATOM 39 OH TYR A 7 26.980 3.075 7.165 1.00 56.90 O -ATOM 40 CE2 TYR A 7 25.811 2.275 5.244 1.00 54.07 C -ATOM 41 CD2 TYR A 7 24.651 1.775 4.670 1.00 51.23 C -ATOM 42 C TYR A 7 21.680 3.249 3.750 1.00 44.85 C -ATOM 43 O TYR A 7 22.102 4.303 4.230 1.00 42.45 O -ATOM 44 N GLU A 8 21.630 3.014 2.439 1.00 45.44 N -ATOM 45 CA GLU A 8 22.074 3.986 1.437 1.00 46.14 C -ATOM 46 CB GLU A 8 21.729 3.506 0.026 1.00 50.90 C -ATOM 47 CG GLU A 8 22.266 2.146 -0.356 1.00 58.39 C -ATOM 48 CD GLU A 8 23.735 2.176 -0.684 1.00 60.37 C -ATOM 49 OE1 GLU A 8 24.515 2.592 0.198 1.00 64.42 O -ATOM 50 OE2 GLU A 8 24.107 1.785 -1.815 1.00 60.28 O -ATOM 51 C GLU A 8 21.417 5.348 1.628 1.00 45.51 C -ATOM 52 O GLU A 8 22.071 6.377 1.479 1.00 47.04 O -ATOM 53 N ASP A 9 20.120 5.357 1.934 1.00 41.42 N -ATOM 54 CA ASP A 9 19.408 6.619 2.115 1.00 39.20 C -ATOM 55 CB ASP A 9 17.914 6.377 2.410 1.00 39.43 C -ATOM 56 CG ASP A 9 17.178 5.715 1.242 1.00 43.10 C -ATOM 57 OD1 ASP A 9 17.440 6.088 0.078 1.00 43.93 O -ATOM 58 OD2 ASP A 9 16.324 4.831 1.487 1.00 42.56 O -ATOM 59 C ASP A 9 20.029 7.475 3.221 1.00 37.11 C -ATOM 60 O ASP A 9 20.206 8.678 3.044 1.00 33.96 O -ATOM 61 N TYR A 10 20.338 6.865 4.364 1.00 37.09 N -ATOM 62 CA TYR A 10 20.957 7.603 5.469 1.00 38.03 C -ATOM 63 CB TYR A 10 21.173 6.703 6.686 1.00 36.01 C -ATOM 64 CG TYR A 10 19.930 6.039 7.238 1.00 38.26 C -ATOM 65 CD1 TYR A 10 19.012 6.752 8.008 1.00 37.34 C -ATOM 66 CE1 TYR A 10 17.876 6.128 8.531 1.00 40.32 C -ATOM 67 CZ TYR A 10 17.661 4.781 8.282 1.00 39.65 C -ATOM 68 OH TYR A 10 16.562 4.148 8.802 1.00 40.91 O -ATOM 69 CE2 TYR A 10 18.557 4.057 7.519 1.00 38.67 C -ATOM 70 CD2 TYR A 10 19.683 4.687 7.000 1.00 38.04 C -ATOM 71 C TYR A 10 22.325 8.108 5.005 1.00 39.86 C -ATOM 72 O TYR A 10 22.704 9.241 5.281 1.00 39.80 O -ATOM 73 N LYS A 11 23.052 7.245 4.298 1.00 41.25 N -ATOM 74 CA LYS A 11 24.385 7.556 3.797 1.00 44.71 C -ATOM 75 CB LYS A 11 24.982 6.328 3.104 1.00 48.09 C -ATOM 76 CG LYS A 11 26.480 6.126 3.314 1.00 54.22 C -ATOM 77 CD LYS A 11 26.765 5.519 4.684 1.00 58.96 C -ATOM 78 CE LYS A 11 28.258 5.252 4.902 1.00 60.88 C -ATOM 79 NZ LYS A 11 29.057 6.503 5.043 1.00 62.46 N -ATOM 80 C LYS A 11 24.338 8.716 2.809 1.00 45.62 C -ATOM 81 O LYS A 11 25.127 9.655 2.904 1.00 44.88 O -ATOM 82 N ASN A 12 23.410 8.644 1.858 1.00 45.77 N -ATOM 83 CA ASN A 12 23.276 9.691 0.857 1.00 45.27 C -ATOM 84 CB ASN A 12 22.208 9.328 -0.175 1.00 47.09 C -ATOM 85 CG ASN A 12 22.632 8.191 -1.081 1.00 47.67 C -ATOM 86 OD1 ASN A 12 23.825 7.947 -1.280 1.00 48.04 O -ATOM 87 ND2 ASN A 12 21.655 7.498 -1.650 1.00 45.79 N -ATOM 88 C ASN A 12 22.941 11.044 1.460 1.00 44.57 C -ATOM 89 O ASN A 12 23.436 12.068 0.990 1.00 45.05 O -ATOM 90 N THR A 13 22.096 11.051 2.488 1.00 41.78 N -ATOM 91 CA THR A 13 21.705 12.298 3.140 1.00 40.85 C -ATOM 92 CB THR A 13 20.530 12.078 4.130 1.00 38.73 C -ATOM 93 OG1 THR A 13 19.339 11.772 3.394 1.00 40.51 O -ATOM 94 CG2 THR A 13 20.288 13.317 4.972 1.00 35.29 C -ATOM 95 C THR A 13 22.892 12.884 3.904 1.00 42.16 C -ATOM 96 O THR A 13 23.095 14.103 3.921 1.00 38.51 O -ATOM 97 N ALA A 14 23.669 12.009 4.531 1.00 42.24 N -ATOM 98 CA ALA A 14 24.831 12.446 5.290 1.00 45.94 C -ATOM 99 CB ALA A 14 25.408 11.279 6.091 1.00 42.74 C -ATOM 100 C ALA A 14 25.883 13.011 4.342 1.00 46.77 C -ATOM 101 O ALA A 14 26.433 14.080 4.585 1.00 47.03 O -ATOM 102 N GLU A 15 26.155 12.295 3.256 1.00 49.59 N -ATOM 103 CA GLU A 15 27.150 12.751 2.294 1.00 52.22 C -ATOM 104 CB GLU A 15 27.434 11.649 1.268 1.00 54.78 C -ATOM 105 CG GLU A 15 28.040 10.405 1.924 1.00 61.80 C -ATOM 106 CD GLU A 15 28.429 9.311 0.939 1.00 65.68 C -ATOM 107 OE1 GLU A 15 27.565 8.876 0.146 1.00 68.18 O -ATOM 108 OE2 GLU A 15 29.602 8.878 0.970 1.00 68.47 O -ATOM 109 C GLU A 15 26.726 14.053 1.616 1.00 51.61 C -ATOM 110 O GLU A 15 27.571 14.872 1.249 1.00 53.31 O -ATOM 111 N TRP A 16 25.420 14.256 1.466 1.00 48.99 N -ATOM 112 CA TRP A 16 24.927 15.484 0.859 1.00 47.40 C -ATOM 113 CB TRP A 16 23.418 15.425 0.634 1.00 44.88 C -ATOM 114 CG TRP A 16 22.882 16.631 -0.096 1.00 42.31 C -ATOM 115 CD1 TRP A 16 22.826 16.813 -1.454 1.00 39.91 C -ATOM 116 NE1 TRP A 16 22.259 18.032 -1.745 1.00 39.23 N -ATOM 117 CE2 TRP A 16 21.941 18.668 -0.576 1.00 39.71 C -ATOM 118 CD2 TRP A 16 22.321 17.816 0.491 1.00 39.60 C -ATOM 119 CE3 TRP A 16 22.101 18.239 1.810 1.00 39.90 C -ATOM 120 CZ3 TRP A 16 21.512 19.484 2.026 1.00 40.53 C -ATOM 121 CH2 TRP A 16 21.142 20.313 0.941 1.00 41.53 C -ATOM 122 CZ2 TRP A 16 21.349 19.921 -0.362 1.00 40.46 C -ATOM 123 C TRP A 16 25.223 16.634 1.814 1.00 47.84 C -ATOM 124 O TRP A 16 25.743 17.672 1.406 1.00 46.56 O -ATOM 125 N LEU A 17 24.865 16.444 3.083 1.00 46.93 N -ATOM 126 CA LEU A 17 25.082 17.461 4.103 1.00 47.65 C -ATOM 127 CB LEU A 17 24.472 17.012 5.436 1.00 45.73 C -ATOM 128 CG LEU A 17 22.945 17.090 5.561 1.00 45.07 C -ATOM 129 CD1 LEU A 17 22.484 16.370 6.820 1.00 44.39 C -ATOM 130 CD2 LEU A 17 22.505 18.542 5.590 1.00 44.21 C -ATOM 131 C LEU A 17 26.574 17.761 4.277 1.00 47.99 C -ATOM 132 O LEU A 17 26.983 18.920 4.299 1.00 46.80 O -ATOM 133 N LEU A 18 27.380 16.710 4.382 1.00 48.45 N -ATOM 134 CA LEU A 18 28.821 16.857 4.549 1.00 49.06 C -ATOM 135 CB LEU A 18 29.490 15.481 4.641 1.00 45.50 C -ATOM 136 CG LEU A 18 29.273 14.689 5.938 1.00 44.77 C -ATOM 137 CD1 LEU A 18 29.804 13.275 5.781 1.00 43.93 C -ATOM 138 CD2 LEU A 18 29.968 15.389 7.090 1.00 42.45 C -ATOM 139 C LEU A 18 29.455 17.651 3.412 1.00 50.96 C -ATOM 140 O LEU A 18 30.450 18.343 3.617 1.00 52.90 O -ATOM 141 N SER A 19 28.880 17.565 2.217 1.00 51.19 N -ATOM 142 CA SER A 19 29.438 18.275 1.077 1.00 51.14 C -ATOM 143 CB SER A 19 29.301 17.437 -0.194 1.00 51.63 C -ATOM 144 OG SER A 19 27.961 17.432 -0.643 1.00 54.45 O -ATOM 145 C SER A 19 28.797 19.634 0.851 1.00 51.15 C -ATOM 146 O SER A 19 29.123 20.316 -0.117 1.00 53.07 O -ATOM 147 N HIS A 20 27.888 20.030 1.733 1.00 50.11 N -ATOM 148 CA HIS A 20 27.231 21.324 1.594 1.00 49.84 C -ATOM 149 CB HIS A 20 25.718 21.156 1.420 1.00 50.18 C -ATOM 150 CG HIS A 20 25.315 20.756 0.036 1.00 51.00 C -ATOM 151 ND1 HIS A 20 25.566 19.501 -0.481 1.00 52.20 N -ATOM 152 CE1 HIS A 20 25.145 19.449 -1.730 1.00 51.82 C -ATOM 153 NE2 HIS A 20 24.627 20.624 -2.044 1.00 53.07 N -ATOM 154 CD2 HIS A 20 24.719 21.457 -0.957 1.00 50.32 C -ATOM 155 C HIS A 20 27.522 22.231 2.778 1.00 50.34 C -ATOM 156 O HIS A 20 26.993 23.342 2.884 1.00 48.50 O -ATOM 157 N THR A 21 28.371 21.751 3.673 1.00 50.83 N -ATOM 158 CA THR A 21 28.745 22.541 4.829 1.00 53.87 C -ATOM 159 CB THR A 21 27.781 22.306 6.017 1.00 54.61 C -ATOM 160 OG1 THR A 21 27.997 23.313 7.013 1.00 54.12 O -ATOM 161 CG2 THR A 21 28.010 20.927 6.637 1.00 52.99 C -ATOM 162 C THR A 21 30.158 22.160 5.232 1.00 54.78 C -ATOM 163 O THR A 21 30.560 21.001 5.109 1.00 55.79 O -ATOM 164 N LYS A 22 30.918 23.147 5.687 1.00 56.13 N -ATOM 165 CA LYS A 22 32.282 22.906 6.127 1.00 56.62 C -ATOM 166 CB LYS A 22 33.072 24.216 6.150 1.00 59.37 C -ATOM 167 CG LYS A 22 33.161 24.918 4.801 1.00 63.31 C -ATOM 168 CD LYS A 22 34.029 24.141 3.817 1.00 66.07 C -ATOM 169 CE LYS A 22 34.059 24.826 2.451 1.00 68.03 C -ATOM 170 NZ LYS A 22 34.456 26.264 2.553 1.00 69.05 N -ATOM 171 C LYS A 22 32.171 22.352 7.536 1.00 54.99 C -ATOM 172 O LYS A 22 33.076 21.684 8.031 1.00 55.08 O -ATOM 173 N HIS A 23 31.041 22.638 8.173 1.00 53.61 N -ATOM 174 CA HIS A 23 30.788 22.186 9.533 1.00 53.39 C -ATOM 175 CB HIS A 23 29.444 22.722 10.019 1.00 53.93 C -ATOM 176 CG HIS A 23 29.423 24.202 10.228 1.00 54.99 C -ATOM 177 ND1 HIS A 23 29.971 24.804 11.342 1.00 57.15 N -ATOM 178 CE1 HIS A 23 29.800 26.111 11.261 1.00 57.26 C -ATOM 179 NE2 HIS A 23 29.162 26.380 10.135 1.00 56.62 N -ATOM 180 CD2 HIS A 23 28.917 25.203 9.472 1.00 56.30 C -ATOM 181 C HIS A 23 30.813 20.669 9.691 1.00 52.78 C -ATOM 182 O HIS A 23 30.349 19.923 8.825 1.00 52.75 O -ATOM 183 N ARG A 24 31.380 20.231 10.810 1.00 51.08 N -ATOM 184 CA ARG A 24 31.481 18.822 11.162 1.00 50.04 C -ATOM 185 CB ARG A 24 32.913 18.332 10.943 1.00 50.11 C -ATOM 186 CG ARG A 24 33.339 18.339 9.463 1.00 50.45 C -ATOM 187 CD ARG A 24 32.550 17.303 8.650 1.00 49.80 C -ATOM 188 NE ARG A 24 32.916 17.252 7.230 1.00 46.64 N -ATOM 189 CZ ARG A 24 32.415 18.050 6.286 1.00 45.83 C -ATOM 190 NH1 ARG A 24 31.515 18.981 6.592 1.00 42.16 N -ATOM 191 NH2 ARG A 24 32.806 17.905 5.026 1.00 43.66 N -ATOM 192 C ARG A 24 31.078 18.785 12.637 1.00 49.31 C -ATOM 193 O ARG A 24 31.901 18.975 13.530 1.00 50.02 O -ATOM 194 N PRO A 25 29.785 18.542 12.903 1.00 48.78 N -ATOM 195 CA PRO A 25 29.225 18.490 14.255 1.00 46.63 C -ATOM 196 CB PRO A 25 27.726 18.531 13.993 1.00 45.11 C -ATOM 197 CG PRO A 25 27.614 17.650 12.791 1.00 45.43 C -ATOM 198 CD PRO A 25 28.773 18.120 11.912 1.00 47.73 C -ATOM 199 C PRO A 25 29.623 17.296 15.104 1.00 45.31 C -ATOM 200 O PRO A 25 29.843 16.195 14.605 1.00 44.74 O -ATOM 201 N GLN A 26 29.708 17.537 16.404 1.00 44.34 N -ATOM 202 CA GLN A 26 30.043 16.496 17.354 1.00 43.73 C -ATOM 203 CB GLN A 26 31.206 16.929 18.253 1.00 45.34 C -ATOM 204 CG GLN A 26 31.545 15.898 19.323 1.00 49.48 C -ATOM 205 CD GLN A 26 32.201 16.497 20.555 1.00 52.87 C -ATOM 206 OE1 GLN A 26 32.363 15.820 21.569 1.00 55.58 O -ATOM 207 NE2 GLN A 26 32.580 17.770 20.476 1.00 54.40 N -ATOM 208 C GLN A 26 28.810 16.271 18.217 1.00 41.12 C -ATOM 209 O GLN A 26 28.515 15.148 18.625 1.00 40.67 O -ATOM 210 N VAL A 27 28.098 17.357 18.490 1.00 38.83 N -ATOM 211 CA VAL A 27 26.911 17.300 19.319 1.00 40.42 C -ATOM 212 CB VAL A 27 27.038 18.240 20.529 1.00 40.51 C -ATOM 213 CG1 VAL A 27 25.917 17.962 21.516 1.00 40.99 C -ATOM 214 CG2 VAL A 27 28.407 18.074 21.186 1.00 41.77 C -ATOM 215 C VAL A 27 25.634 17.689 18.575 1.00 42.09 C -ATOM 216 O VAL A 27 25.528 18.800 18.041 1.00 42.13 O -ATOM 217 N ALA A 28 24.665 16.773 18.550 1.00 39.98 N -ATOM 218 CA ALA A 28 23.376 17.045 17.912 1.00 39.11 C -ATOM 219 CB ALA A 28 22.843 15.786 17.212 1.00 36.24 C -ATOM 220 C ALA A 28 22.421 17.473 19.017 1.00 37.44 C -ATOM 221 O ALA A 28 22.388 16.864 20.082 1.00 39.77 O -ATOM 222 N ILE A 29 21.659 18.533 18.782 1.00 38.50 N -ATOM 223 CA ILE A 29 20.712 19.004 19.786 1.00 40.47 C -ATOM 224 CB ILE A 29 21.112 20.380 20.349 1.00 40.77 C -ATOM 225 CG1 ILE A 29 22.511 20.305 20.971 1.00 42.80 C -ATOM 226 CG2 ILE A 29 20.065 20.842 21.375 1.00 39.70 C -ATOM 227 CD1 ILE A 29 22.993 21.624 21.548 1.00 42.81 C -ATOM 228 C ILE A 29 19.296 19.125 19.218 1.00 42.25 C -ATOM 229 O ILE A 29 19.069 19.812 18.213 1.00 42.06 O -ATOM 230 N ILE A 30 18.348 18.457 19.862 1.00 41.54 N -ATOM 231 CA ILE A 30 16.970 18.521 19.416 1.00 43.11 C -ATOM 232 CB ILE A 30 16.306 17.133 19.441 1.00 43.00 C -ATOM 233 CG1 ILE A 30 17.068 16.188 18.506 1.00 41.70 C -ATOM 234 CG2 ILE A 30 14.848 17.248 18.991 1.00 42.06 C -ATOM 235 CD1 ILE A 30 16.537 14.779 18.477 1.00 43.72 C -ATOM 236 C ILE A 30 16.220 19.477 20.322 1.00 44.02 C -ATOM 237 O ILE A 30 16.091 19.242 21.522 1.00 44.41 O -ATOM 238 N CYS A 31 15.745 20.571 19.743 1.00 45.19 N -ATOM 239 CA CYS A 31 15.022 21.576 20.510 1.00 48.62 C -ATOM 240 CB CYS A 31 15.147 22.946 19.829 1.00 48.45 C -ATOM 241 SG CYS A 31 16.863 23.445 19.479 1.00 51.30 S -ATOM 242 C CYS A 31 13.555 21.204 20.659 1.00 49.93 C -ATOM 243 O CYS A 31 12.871 20.930 19.674 1.00 50.42 O -ATOM 244 N GLY A 32 13.080 21.187 21.898 1.00 51.96 N -ATOM 245 CA GLY A 32 11.690 20.861 22.145 1.00 54.58 C -ATOM 246 C GLY A 32 10.821 22.065 21.853 1.00 56.33 C -ATOM 247 O GLY A 32 11.318 23.096 21.393 1.00 57.49 O -ATOM 248 N SER A 33 9.525 21.944 22.119 1.00 58.15 N -ATOM 249 CA SER A 33 8.594 23.039 21.872 1.00 59.95 C -ATOM 250 CB SER A 33 7.166 22.595 22.181 1.00 59.20 C -ATOM 251 OG SER A 33 6.273 23.687 22.046 1.00 62.88 O -ATOM 252 C SER A 33 8.928 24.282 22.699 1.00 60.57 C -ATOM 253 O SER A 33 9.085 24.200 23.922 1.00 60.26 O -ATOM 254 N GLY A 34 9.034 25.424 22.018 1.00 61.13 N -ATOM 255 CA GLY A 34 9.340 26.682 22.680 1.00 60.82 C -ATOM 256 C GLY A 34 10.764 26.770 23.191 1.00 61.39 C -ATOM 257 O GLY A 34 11.053 27.514 24.128 1.00 61.46 O -ATOM 258 N LEU A 35 11.662 26.010 22.575 1.00 61.28 N -ATOM 259 CA LEU A 35 13.059 26.006 22.987 1.00 60.69 C -ATOM 260 CB LEU A 35 13.414 24.675 23.656 1.00 62.34 C -ATOM 261 CG LEU A 35 12.412 24.102 24.664 1.00 63.40 C -ATOM 262 CD1 LEU A 35 12.986 22.825 25.278 1.00 63.58 C -ATOM 263 CD2 LEU A 35 12.105 25.128 25.743 1.00 63.24 C -ATOM 264 C LEU A 35 13.923 26.198 21.760 1.00 59.94 C -ATOM 265 O LEU A 35 15.147 26.090 21.826 1.00 58.60 O -ATOM 266 N GLY A 36 13.269 26.480 20.637 1.00 59.41 N -ATOM 267 CA GLY A 36 13.978 26.681 19.388 1.00 59.43 C -ATOM 268 C GLY A 36 14.917 27.869 19.414 1.00 59.89 C -ATOM 269 O GLY A 36 15.848 27.946 18.613 1.00 60.36 O -ATOM 270 N GLY A 37 14.675 28.796 20.334 1.00 60.86 N -ATOM 271 CA GLY A 37 15.519 29.974 20.438 1.00 62.66 C -ATOM 272 C GLY A 37 16.989 29.638 20.609 1.00 63.77 C -ATOM 273 O GLY A 37 17.864 30.427 20.251 1.00 64.42 O -ATOM 274 N LEU A 38 17.258 28.455 21.150 1.00 63.92 N -ATOM 275 CA LEU A 38 18.620 27.998 21.381 1.00 64.11 C -ATOM 276 CB LEU A 38 18.605 26.522 21.778 1.00 65.33 C -ATOM 277 CG LEU A 38 19.509 26.090 22.938 1.00 67.72 C -ATOM 278 CD1 LEU A 38 19.248 24.624 23.263 1.00 68.20 C -ATOM 279 CD2 LEU A 38 20.968 26.317 22.579 1.00 67.89 C -ATOM 280 C LEU A 38 19.484 28.186 20.141 1.00 64.59 C -ATOM 281 O LEU A 38 20.695 28.365 20.236 1.00 65.55 O -ATOM 282 N THR A 39 18.851 28.148 18.975 1.00 65.13 N -ATOM 283 CA THR A 39 19.556 28.301 17.707 1.00 65.41 C -ATOM 284 CB THR A 39 18.601 28.047 16.517 1.00 65.61 C -ATOM 285 OG1 THR A 39 19.343 28.063 15.292 1.00 67.15 O -ATOM 286 CG2 THR A 39 17.526 29.125 16.456 1.00 65.08 C -ATOM 287 C THR A 39 20.178 29.690 17.546 1.00 65.22 C -ATOM 288 O THR A 39 21.083 29.884 16.733 1.00 64.05 O -ATOM 289 N ASP A 40 19.691 30.654 18.320 1.00 66.14 N -ATOM 290 CA ASP A 40 20.202 32.022 18.244 1.00 67.00 C -ATOM 291 CB ASP A 40 19.209 32.997 18.886 1.00 67.91 C -ATOM 292 CG ASP A 40 17.872 33.028 18.171 1.00 70.13 C -ATOM 293 OD1 ASP A 40 17.853 33.300 16.949 1.00 70.20 O -ATOM 294 OD2 ASP A 40 16.839 32.787 18.832 1.00 71.19 O -ATOM 295 C ASP A 40 21.566 32.200 18.910 1.00 66.81 C -ATOM 296 O ASP A 40 22.234 33.211 18.693 1.00 67.32 O -ATOM 297 N LYS A 41 21.980 31.225 19.716 1.00 65.58 N -ATOM 298 CA LYS A 41 23.258 31.325 20.410 1.00 64.45 C -ATOM 299 CB LYS A 41 23.146 30.728 21.814 1.00 65.55 C -ATOM 300 CG LYS A 41 22.021 31.333 22.646 1.00 68.20 C -ATOM 301 CD LYS A 41 22.155 30.999 24.132 1.00 70.90 C -ATOM 302 CE LYS A 41 23.122 31.949 24.851 1.00 72.53 C -ATOM 303 NZ LYS A 41 24.516 31.928 24.301 1.00 72.09 N -ATOM 304 C LYS A 41 24.416 30.678 19.659 1.00 62.88 C -ATOM 305 O LYS A 41 25.542 30.647 20.155 1.00 62.81 O -ATOM 306 N LEU A 42 24.145 30.169 18.462 1.00 60.16 N -ATOM 307 CA LEU A 42 25.188 29.544 17.657 1.00 57.76 C -ATOM 308 CB LEU A 42 24.583 28.545 16.664 1.00 55.86 C -ATOM 309 CG LEU A 42 23.956 27.244 17.172 1.00 54.82 C -ATOM 310 CD1 LEU A 42 23.312 26.512 16.000 1.00 54.97 C -ATOM 311 CD2 LEU A 42 25.013 26.365 17.815 1.00 52.43 C -ATOM 312 C LEU A 42 25.933 30.622 16.884 1.00 57.32 C -ATOM 313 O LEU A 42 25.369 31.671 16.573 1.00 59.01 O -ATOM 314 N THR A 43 27.198 30.363 16.574 1.00 54.58 N -ATOM 315 CA THR A 43 28.001 31.312 15.820 1.00 53.50 C -ATOM 316 CB THR A 43 29.224 31.806 16.637 1.00 53.20 C -ATOM 317 OG1 THR A 43 30.043 30.691 17.013 1.00 51.14 O -ATOM 318 CG2 THR A 43 28.759 32.532 17.887 1.00 51.42 C -ATOM 319 C THR A 43 28.474 30.612 14.557 1.00 53.13 C -ATOM 320 O THR A 43 28.692 29.399 14.563 1.00 51.87 O -ATOM 321 N GLN A 44 28.641 31.377 13.483 1.00 53.52 N -ATOM 322 CA GLN A 44 29.044 30.811 12.202 1.00 55.90 C -ATOM 323 CB GLN A 44 30.390 30.082 12.307 1.00 59.54 C -ATOM 324 CG GLN A 44 31.604 30.928 11.929 1.00 65.90 C -ATOM 325 CD GLN A 44 32.724 30.098 11.301 1.00 71.55 C -ATOM 326 OE1 GLN A 44 33.792 30.620 10.975 1.00 73.70 O -ATOM 327 NE2 GLN A 44 32.476 28.799 11.121 1.00 72.91 N -ATOM 328 C GLN A 44 27.952 29.825 11.800 1.00 54.86 C -ATOM 329 O GLN A 44 28.217 28.784 11.205 1.00 54.54 O -ATOM 330 N ALA A 45 26.718 30.174 12.143 1.00 53.29 N -ATOM 331 CA ALA A 45 25.566 29.343 11.851 1.00 54.17 C -ATOM 332 CB ALA A 45 24.338 29.913 12.543 1.00 53.75 C -ATOM 333 C ALA A 45 25.293 29.197 10.360 1.00 54.77 C -ATOM 334 O ALA A 45 25.431 30.151 9.593 1.00 56.03 O -ATOM 335 N GLN A 46 24.923 27.985 9.958 1.00 53.93 N -ATOM 336 CA GLN A 46 24.577 27.699 8.570 1.00 52.69 C -ATOM 337 CB GLN A 46 25.637 26.835 7.891 1.00 52.79 C -ATOM 338 CG GLN A 46 25.516 26.851 6.373 1.00 55.79 C -ATOM 339 CD GLN A 46 26.491 25.919 5.687 1.00 58.10 C -ATOM 340 OE1 GLN A 46 27.659 25.822 6.077 1.00 58.77 O -ATOM 341 NE2 GLN A 46 26.022 25.236 4.646 1.00 58.40 N -ATOM 342 C GLN A 46 23.249 26.952 8.636 1.00 52.13 C -ATOM 343 O GLN A 46 23.141 25.907 9.286 1.00 49.12 O -ATOM 344 N ILE A 47 22.241 27.501 7.968 1.00 51.22 N -ATOM 345 CA ILE A 47 20.905 26.920 7.985 1.00 49.98 C -ATOM 346 CB ILE A 47 19.849 28.026 8.172 1.00 48.98 C -ATOM 347 CG1 ILE A 47 20.186 28.843 9.419 1.00 48.05 C -ATOM 348 CG2 ILE A 47 18.461 27.419 8.279 1.00 47.35 C -ATOM 349 CD1 ILE A 47 19.223 29.984 9.693 1.00 51.31 C -ATOM 350 C ILE A 47 20.519 26.089 6.765 1.00 50.06 C -ATOM 351 O ILE A 47 20.863 26.418 5.629 1.00 49.62 O -ATOM 352 N PHE A 48 19.802 25.001 7.034 1.00 49.09 N -ATOM 353 CA PHE A 48 19.297 24.091 6.010 1.00 47.60 C -ATOM 354 CB PHE A 48 20.031 22.749 6.050 1.00 48.56 C -ATOM 355 CG PHE A 48 21.377 22.760 5.386 1.00 51.28 C -ATOM 356 CD1 PHE A 48 21.482 22.751 4.001 1.00 50.84 C -ATOM 357 CE1 PHE A 48 22.726 22.723 3.380 1.00 51.77 C -ATOM 358 CZ PHE A 48 23.886 22.699 4.148 1.00 52.94 C -ATOM 359 CD2 PHE A 48 22.542 22.739 6.149 1.00 51.28 C -ATOM 360 CE2 PHE A 48 23.793 22.711 5.539 1.00 53.06 C -ATOM 361 C PHE A 48 17.827 23.830 6.329 1.00 46.13 C -ATOM 362 O PHE A 48 17.497 23.384 7.428 1.00 44.76 O -ATOM 363 N ASP A 49 16.939 24.123 5.388 1.00 45.72 N -ATOM 364 CA ASP A 49 15.525 23.846 5.617 1.00 45.31 C -ATOM 365 CB ASP A 49 14.661 24.556 4.576 1.00 48.97 C -ATOM 366 CG ASP A 49 14.682 26.054 4.737 1.00 53.75 C -ATOM 367 OD1 ASP A 49 14.289 26.540 5.819 1.00 56.42 O -ATOM 368 OD2 ASP A 49 15.095 26.746 3.782 1.00 58.17 O -ATOM 369 C ASP A 49 15.383 22.338 5.455 1.00 41.03 C -ATOM 370 O ASP A 49 16.046 21.745 4.607 1.00 39.60 O -ATOM 371 N TYR A 50 14.546 21.708 6.269 1.00 39.23 N -ATOM 372 CA TYR A 50 14.373 20.265 6.140 1.00 39.79 C -ATOM 373 CB TYR A 50 13.272 19.759 7.076 1.00 38.53 C -ATOM 374 CG TYR A 50 13.616 19.808 8.550 1.00 39.05 C -ATOM 375 CD1 TYR A 50 14.942 19.899 8.983 1.00 38.83 C -ATOM 376 CE1 TYR A 50 15.253 19.938 10.344 1.00 37.82 C -ATOM 377 CZ TYR A 50 14.232 19.886 11.280 1.00 39.77 C -ATOM 378 OH TYR A 50 14.514 19.930 12.626 1.00 37.51 O -ATOM 379 CE2 TYR A 50 12.906 19.792 10.867 1.00 39.70 C -ATOM 380 CD2 TYR A 50 12.611 19.753 9.514 1.00 38.81 C -ATOM 381 C TYR A 50 14.015 19.915 4.693 1.00 39.71 C -ATOM 382 O TYR A 50 14.545 18.958 4.125 1.00 39.73 O -ATOM 383 N SER A 51 13.134 20.719 4.100 1.00 39.02 N -ATOM 384 CA SER A 51 12.679 20.509 2.732 1.00 41.48 C -ATOM 385 CB SER A 51 11.718 21.632 2.322 1.00 42.63 C -ATOM 386 OG SER A 51 12.315 22.905 2.480 1.00 45.87 O -ATOM 387 C SER A 51 13.776 20.376 1.681 1.00 41.49 C -ATOM 388 O SER A 51 13.568 19.722 0.656 1.00 40.15 O -ATOM 389 N GLU A 52 14.939 20.978 1.923 1.00 40.83 N -ATOM 390 CA GLU A 52 16.024 20.897 0.947 1.00 42.98 C -ATOM 391 CB GLU A 52 16.833 22.207 0.909 1.00 46.19 C -ATOM 392 CG GLU A 52 17.573 22.584 2.188 1.00 50.01 C -ATOM 393 CD GLU A 52 18.297 23.929 2.063 1.00 53.81 C -ATOM 394 OE1 GLU A 52 19.217 24.030 1.217 1.00 53.84 O -ATOM 395 OE2 GLU A 52 17.944 24.882 2.803 1.00 52.82 O -ATOM 396 C GLU A 52 16.960 19.723 1.183 1.00 41.57 C -ATOM 397 O GLU A 52 17.795 19.407 0.339 1.00 42.82 O -ATOM 398 N ILE A 53 16.819 19.060 2.323 1.00 40.91 N -ATOM 399 CA ILE A 53 17.693 17.931 2.617 1.00 40.13 C -ATOM 400 CB ILE A 53 17.911 17.773 4.137 1.00 40.55 C -ATOM 401 CG1 ILE A 53 18.319 19.112 4.752 1.00 40.96 C -ATOM 402 CG2 ILE A 53 18.988 16.732 4.393 1.00 38.81 C -ATOM 403 CD1 ILE A 53 18.371 19.087 6.267 1.00 41.69 C -ATOM 404 C ILE A 53 17.107 16.632 2.067 1.00 39.03 C -ATOM 405 O ILE A 53 15.976 16.274 2.378 1.00 39.49 O -ATOM 406 N PRO A 54 17.879 15.908 1.249 1.00 38.61 N -ATOM 407 CA PRO A 54 17.447 14.644 0.652 1.00 39.28 C -ATOM 408 CB PRO A 54 18.719 14.154 -0.051 1.00 39.73 C -ATOM 409 CG PRO A 54 19.394 15.435 -0.438 1.00 39.71 C -ATOM 410 CD PRO A 54 19.252 16.241 0.821 1.00 39.92 C -ATOM 411 C PRO A 54 16.956 13.658 1.711 1.00 40.19 C -ATOM 412 O PRO A 54 17.577 13.525 2.770 1.00 37.82 O -ATOM 413 N ASN A 55 15.832 13.000 1.425 1.00 38.55 N -ATOM 414 CA ASN A 55 15.252 11.992 2.314 1.00 39.72 C -ATOM 415 CB ASN A 55 16.298 10.911 2.606 1.00 39.02 C -ATOM 416 CG ASN A 55 16.817 10.262 1.350 1.00 42.31 C -ATOM 417 OD1 ASN A 55 17.967 9.802 1.290 1.00 42.87 O -ATOM 418 ND2 ASN A 55 15.964 10.193 0.338 1.00 40.84 N -ATOM 419 C ASN A 55 14.636 12.452 3.628 1.00 40.21 C -ATOM 420 O ASN A 55 14.064 11.641 4.368 1.00 40.35 O -ATOM 421 N PHE A 56 14.748 13.736 3.934 1.00 41.13 N -ATOM 422 CA PHE A 56 14.172 14.237 5.181 1.00 44.21 C -ATOM 423 CB PHE A 56 14.658 15.662 5.479 1.00 41.21 C -ATOM 424 CG PHE A 56 15.541 15.773 6.686 1.00 39.11 C -ATOM 425 CD1 PHE A 56 16.810 15.211 6.688 1.00 38.81 C -ATOM 426 CE1 PHE A 56 17.653 15.338 7.806 1.00 37.30 C -ATOM 427 CZ PHE A 56 17.218 16.035 8.930 1.00 38.19 C -ATOM 428 CD2 PHE A 56 15.113 16.467 7.815 1.00 38.74 C -ATOM 429 CE2 PHE A 56 15.947 16.600 8.939 1.00 37.46 C -ATOM 430 C PHE A 56 12.646 14.257 5.124 1.00 48.10 C -ATOM 431 O PHE A 56 12.057 14.583 4.093 1.00 49.20 O -ATOM 432 N PRO A 57 11.986 13.903 6.234 1.00 51.63 N -ATOM 433 CA PRO A 57 10.520 13.918 6.236 1.00 55.14 C -ATOM 434 CB PRO A 57 10.178 13.435 7.640 1.00 53.02 C -ATOM 435 CG PRO A 57 11.326 12.517 7.972 1.00 52.26 C -ATOM 436 CD PRO A 57 12.519 13.298 7.469 1.00 51.17 C -ATOM 437 C PRO A 57 10.112 15.371 6.005 1.00 58.89 C -ATOM 438 O PRO A 57 10.629 16.260 6.676 1.00 58.28 O -ATOM 439 N ARG A 58 9.207 15.632 5.066 1.00 64.33 N -ATOM 440 CA ARG A 58 8.826 17.025 4.843 1.00 70.73 C -ATOM 441 CB ARG A 58 8.424 17.277 3.384 1.00 72.25 C -ATOM 442 CG ARG A 58 8.426 18.776 3.035 1.00 74.67 C -ATOM 443 CD ARG A 58 8.070 19.054 1.577 1.00 76.28 C -ATOM 444 NE ARG A 58 8.224 20.468 1.220 1.00 77.36 N -ATOM 445 CZ ARG A 58 7.484 21.465 1.706 1.00 77.72 C -ATOM 446 NH1 ARG A 58 6.515 21.229 2.583 1.00 79.01 N -ATOM 447 NH2 ARG A 58 7.717 22.710 1.315 1.00 77.45 N -ATOM 448 C ARG A 58 7.715 17.491 5.780 1.00 73.32 C -ATOM 449 O ARG A 58 6.584 16.997 5.732 1.00 72.75 O -ATOM 450 N SER A 59 8.068 18.451 6.633 1.00 76.85 N -ATOM 451 CA SER A 59 7.150 19.027 7.612 1.00 79.92 C -ATOM 452 CB SER A 59 7.835 20.193 8.337 1.00 79.90 C -ATOM 453 OG SER A 59 6.988 20.743 9.332 1.00 81.37 O -ATOM 454 C SER A 59 5.851 19.505 6.965 1.00 80.96 C -ATOM 455 O SER A 59 5.820 20.552 6.315 1.00 81.74 O -ATOM 456 N THR A 60 4.784 18.731 7.157 1.00 82.68 N -ATOM 457 CA THR A 60 3.462 19.033 6.600 1.00 84.14 C -ATOM 458 CB THR A 60 2.372 18.138 7.254 1.00 84.43 C -ATOM 459 OG1 THR A 60 2.387 18.316 8.677 1.00 83.67 O -ATOM 460 CG2 THR A 60 2.627 16.665 6.934 1.00 84.04 C -ATOM 461 C THR A 60 3.037 20.509 6.710 1.00 85.11 C -ATOM 462 O THR A 60 3.301 21.304 5.804 1.00 85.64 O -ATOM 463 N VAL A 61 2.377 20.874 7.807 1.00 84.99 N -ATOM 464 CA VAL A 61 1.935 22.255 7.989 1.00 85.20 C -ATOM 465 CB VAL A 61 0.569 22.494 7.292 1.00 85.65 C -ATOM 466 CG1 VAL A 61 0.758 22.591 5.782 1.00 85.53 C -ATOM 467 CG2 VAL A 61 -0.395 21.358 7.636 1.00 86.19 C -ATOM 468 C VAL A 61 1.823 22.761 9.435 1.00 85.43 C -ATOM 469 O VAL A 61 0.922 23.543 9.748 1.00 85.16 O -ATOM 470 N PRO A 62 2.724 22.323 10.339 1.00 85.64 N -ATOM 471 CA PRO A 62 2.628 22.810 11.726 1.00 85.07 C -ATOM 472 CB PRO A 62 3.562 21.869 12.491 1.00 84.79 C -ATOM 473 CG PRO A 62 3.557 20.615 11.657 1.00 84.77 C -ATOM 474 CD PRO A 62 3.646 21.176 10.261 1.00 85.21 C -ATOM 475 C PRO A 62 3.088 24.268 11.808 1.00 85.20 C -ATOM 476 O PRO A 62 2.978 24.926 12.847 1.00 84.35 O -ATOM 477 N GLY A 63 3.602 24.754 10.683 1.00 85.64 N -ATOM 478 CA GLY A 63 4.093 26.118 10.601 1.00 85.10 C -ATOM 479 C GLY A 63 5.102 26.236 9.467 1.00 84.90 C -ATOM 480 O GLY A 63 5.669 27.304 9.213 1.00 85.33 O -ATOM 481 N HIS A 64 5.337 25.107 8.795 1.00 83.25 N -ATOM 482 CA HIS A 64 6.281 25.043 7.678 1.00 81.30 C -ATOM 483 CB HIS A 64 5.826 25.971 6.532 1.00 81.71 C -ATOM 484 CG HIS A 64 4.661 25.435 5.735 1.00 82.51 C -ATOM 485 ND1 HIS A 64 4.746 24.259 5.016 1.00 82.94 N -ATOM 486 CE1 HIS A 64 3.589 24.013 4.427 1.00 82.10 C -ATOM 487 NE2 HIS A 64 2.748 24.993 4.734 1.00 81.45 N -ATOM 488 CD2 HIS A 64 3.393 25.893 5.547 1.00 82.23 C -ATOM 489 C HIS A 64 7.702 25.387 8.108 1.00 79.63 C -ATOM 490 O HIS A 64 8.607 25.439 7.275 1.00 80.37 O -ATOM 491 N ALA A 65 7.902 25.589 9.410 1.00 76.15 N -ATOM 492 CA ALA A 65 9.236 25.915 9.929 1.00 71.61 C -ATOM 493 CB ALA A 65 9.135 26.980 11.015 1.00 70.91 C -ATOM 494 C ALA A 65 9.976 24.686 10.470 1.00 67.89 C -ATOM 495 O ALA A 65 9.782 24.279 11.621 1.00 69.06 O -ATOM 496 N GLY A 66 10.809 24.085 9.620 1.00 64.60 N -ATOM 497 CA GLY A 66 11.587 22.922 10.023 1.00 56.68 C -ATOM 498 C GLY A 66 12.993 23.101 9.491 1.00 53.06 C -ATOM 499 O GLY A 66 13.216 22.966 8.289 1.00 51.29 O -ATOM 500 N ARG A 67 13.945 23.395 10.374 1.00 51.34 N -ATOM 501 CA ARG A 67 15.318 23.617 9.934 1.00 49.33 C -ATOM 502 CB ARG A 67 15.611 25.119 9.899 1.00 51.49 C -ATOM 503 CG ARG A 67 15.412 25.788 11.247 1.00 58.27 C -ATOM 504 CD ARG A 67 15.948 27.208 11.289 1.00 63.63 C -ATOM 505 NE ARG A 67 15.294 28.092 10.329 1.00 69.25 N -ATOM 506 CZ ARG A 67 15.513 29.403 10.261 1.00 71.69 C -ATOM 507 NH1 ARG A 67 16.368 29.977 11.103 1.00 72.03 N -ATOM 508 NH2 ARG A 67 14.884 30.139 9.352 1.00 71.40 N -ATOM 509 C ARG A 67 16.418 22.936 10.737 1.00 46.39 C -ATOM 510 O ARG A 67 16.291 22.693 11.934 1.00 45.72 O -ATOM 511 N LEU A 68 17.508 22.646 10.041 1.00 44.17 N -ATOM 512 CA LEU A 68 18.686 22.034 10.622 1.00 44.10 C -ATOM 513 CB LEU A 68 19.147 20.868 9.745 1.00 41.72 C -ATOM 514 CG LEU A 68 19.912 19.735 10.420 1.00 41.30 C -ATOM 515 CD1 LEU A 68 19.041 19.131 11.511 1.00 40.50 C -ATOM 516 CD2 LEU A 68 20.299 18.676 9.395 1.00 39.39 C -ATOM 517 C LEU A 68 19.752 23.144 10.641 1.00 45.40 C -ATOM 518 O LEU A 68 20.147 23.653 9.585 1.00 45.06 O -ATOM 519 N VAL A 69 20.198 23.533 11.833 1.00 44.89 N -ATOM 520 CA VAL A 69 21.202 24.596 11.953 1.00 45.82 C -ATOM 521 CB VAL A 69 20.724 25.721 12.887 1.00 46.73 C -ATOM 522 CG1 VAL A 69 21.676 26.911 12.791 1.00 47.80 C -ATOM 523 CG2 VAL A 69 19.300 26.134 12.530 1.00 45.91 C -ATOM 524 C VAL A 69 22.540 24.102 12.486 1.00 44.90 C -ATOM 525 O VAL A 69 22.610 23.575 13.596 1.00 43.87 O -ATOM 526 N PHE A 70 23.590 24.257 11.681 1.00 44.75 N -ATOM 527 CA PHE A 70 24.942 23.856 12.075 1.00 45.66 C -ATOM 528 CB PHE A 70 25.744 23.294 10.898 1.00 44.30 C -ATOM 529 CG PHE A 70 25.233 21.985 10.365 1.00 46.75 C -ATOM 530 CD1 PHE A 70 24.075 21.934 9.589 1.00 44.38 C -ATOM 531 CE1 PHE A 70 23.633 20.730 9.044 1.00 44.54 C -ATOM 532 CZ PHE A 70 24.347 19.560 9.272 1.00 45.62 C -ATOM 533 CD2 PHE A 70 25.940 20.806 10.594 1.00 45.21 C -ATOM 534 CE2 PHE A 70 25.507 19.595 10.054 1.00 46.35 C -ATOM 535 C PHE A 70 25.677 25.090 12.581 1.00 47.34 C -ATOM 536 O PHE A 70 25.471 26.200 12.077 1.00 46.87 O -ATOM 537 N GLY A 71 26.545 24.893 13.565 1.00 48.10 N -ATOM 538 CA GLY A 71 27.303 26.006 14.103 1.00 49.39 C -ATOM 539 C GLY A 71 28.086 25.631 15.342 1.00 49.43 C -ATOM 540 O GLY A 71 28.249 24.451 15.665 1.00 49.51 O -ATOM 541 N PHE A 72 28.586 26.641 16.040 1.00 49.49 N -ATOM 542 CA PHE A 72 29.335 26.390 17.254 1.00 48.05 C -ATOM 543 CB PHE A 72 30.723 27.042 17.193 1.00 50.00 C -ATOM 544 CG PHE A 72 31.606 26.483 16.110 1.00 50.97 C -ATOM 545 CD1 PHE A 72 32.382 25.349 16.344 1.00 52.60 C -ATOM 546 CE1 PHE A 72 33.197 24.814 15.340 1.00 52.43 C -ATOM 547 CZ PHE A 72 33.239 25.420 14.085 1.00 52.70 C -ATOM 548 CD2 PHE A 72 31.654 27.082 14.852 1.00 52.33 C -ATOM 549 CE2 PHE A 72 32.465 26.558 13.839 1.00 52.60 C -ATOM 550 C PHE A 72 28.547 26.927 18.430 1.00 46.27 C -ATOM 551 O PHE A 72 28.034 28.044 18.396 1.00 43.13 O -ATOM 552 N LEU A 73 28.426 26.095 19.456 1.00 45.88 N -ATOM 553 CA LEU A 73 27.717 26.474 20.660 1.00 46.60 C -ATOM 554 CB LEU A 73 26.493 25.578 20.884 1.00 45.93 C -ATOM 555 CG LEU A 73 25.665 26.005 22.099 1.00 45.19 C -ATOM 556 CD1 LEU A 73 25.138 27.412 21.872 1.00 44.62 C -ATOM 557 CD2 LEU A 73 24.524 25.028 22.338 1.00 45.63 C -ATOM 558 C LEU A 73 28.689 26.320 21.817 1.00 46.12 C -ATOM 559 O LEU A 73 29.088 25.206 22.167 1.00 43.79 O -ATOM 560 N ASN A 74 29.081 27.459 22.381 1.00 48.18 N -ATOM 561 CA ASN A 74 30.003 27.518 23.507 1.00 47.93 C -ATOM 562 CB ASN A 74 29.226 27.349 24.813 1.00 50.31 C -ATOM 563 CG ASN A 74 30.084 27.600 26.032 1.00 52.61 C -ATOM 564 OD1 ASN A 74 30.848 28.559 26.064 1.00 55.75 O -ATOM 565 ND2 ASN A 74 29.955 26.750 27.044 1.00 52.94 N -ATOM 566 C ASN A 74 31.141 26.502 23.451 1.00 47.87 C -ATOM 567 O ASN A 74 31.328 25.725 24.386 1.00 48.43 O -ATOM 568 N GLY A 75 31.883 26.495 22.347 1.00 47.54 N -ATOM 569 CA GLY A 75 33.007 25.586 22.219 1.00 50.22 C -ATOM 570 C GLY A 75 32.799 24.242 21.537 1.00 53.94 C -ATOM 571 O GLY A 75 33.759 23.478 21.369 1.00 55.68 O -ATOM 572 N ARG A 76 31.570 23.930 21.136 1.00 52.56 N -ATOM 573 CA ARG A 76 31.320 22.646 20.488 1.00 50.68 C -ATOM 574 CB ARG A 76 30.420 21.779 21.373 1.00 52.63 C -ATOM 575 CG ARG A 76 31.022 21.410 22.722 1.00 55.42 C -ATOM 576 CD ARG A 76 32.102 20.332 22.603 1.00 57.31 C -ATOM 577 NE ARG A 76 32.717 20.058 23.901 1.00 58.15 N -ATOM 578 CZ ARG A 76 33.591 20.864 24.501 1.00 59.81 C -ATOM 579 NH1 ARG A 76 33.971 21.997 23.918 1.00 58.19 N -ATOM 580 NH2 ARG A 76 34.071 20.548 25.696 1.00 58.88 N -ATOM 581 C ARG A 76 30.687 22.775 19.112 1.00 48.09 C -ATOM 582 O ARG A 76 29.837 23.633 18.884 1.00 46.64 O -ATOM 583 N ALA A 77 31.121 21.927 18.188 1.00 46.95 N -ATOM 584 CA ALA A 77 30.553 21.925 16.849 1.00 47.77 C -ATOM 585 CB ALA A 77 31.451 21.139 15.898 1.00 45.88 C -ATOM 586 C ALA A 77 29.179 21.248 16.985 1.00 47.76 C -ATOM 587 O ALA A 77 29.094 20.055 17.273 1.00 46.94 O -ATOM 588 N CYS A 78 28.114 22.020 16.799 1.00 47.41 N -ATOM 589 CA CYS A 78 26.756 21.499 16.928 1.00 50.05 C -ATOM 590 CB CYS A 78 25.960 22.307 17.957 1.00 49.61 C -ATOM 591 SG CYS A 78 26.595 22.313 19.615 1.00 60.05 S -ATOM 592 C CYS A 78 25.925 21.506 15.655 1.00 48.62 C -ATOM 593 O CYS A 78 26.232 22.195 14.681 1.00 47.48 O -ATOM 594 N VAL A 79 24.857 20.720 15.705 1.00 47.72 N -ATOM 595 CA VAL A 79 23.865 20.645 14.649 1.00 46.39 C -ATOM 596 CB VAL A 79 23.998 19.382 13.763 1.00 46.82 C -ATOM 597 CG1 VAL A 79 23.860 18.112 14.585 1.00 47.79 C -ATOM 598 CG2 VAL A 79 22.938 19.434 12.668 1.00 48.51 C -ATOM 599 C VAL A 79 22.572 20.613 15.450 1.00 45.70 C -ATOM 600 O VAL A 79 22.385 19.757 16.314 1.00 45.12 O -ATOM 601 N MET A 80 21.706 21.588 15.212 1.00 45.16 N -ATOM 602 CA MET A 80 20.458 21.658 15.944 1.00 46.51 C -ATOM 603 CB MET A 80 20.300 23.019 16.622 1.00 48.53 C -ATOM 604 CG MET A 80 21.438 23.437 17.534 1.00 55.08 C -ATOM 605 SD MET A 80 20.991 24.952 18.415 1.00 57.94 S -ATOM 606 CE MET A 80 20.313 24.275 19.907 1.00 59.66 C -ATOM 607 C MET A 80 19.240 21.434 15.062 1.00 46.04 C -ATOM 608 O MET A 80 19.202 21.868 13.904 1.00 43.06 O -ATOM 609 N MET A 81 18.251 20.751 15.630 1.00 43.24 N -ATOM 610 CA MET A 81 16.998 20.511 14.940 1.00 43.46 C -ATOM 611 CB MET A 81 16.475 19.090 15.187 1.00 42.83 C -ATOM 612 CG MET A 81 17.041 18.011 14.280 1.00 42.83 C -ATOM 613 SD MET A 81 16.161 16.425 14.509 1.00 44.41 S -ATOM 614 CE MET A 81 14.518 16.832 13.844 1.00 43.70 C -ATOM 615 C MET A 81 16.027 21.507 15.544 1.00 43.39 C -ATOM 616 O MET A 81 15.760 21.467 16.748 1.00 41.82 O -ATOM 617 N GLN A 82 15.532 22.428 14.726 1.00 44.17 N -ATOM 618 CA GLN A 82 14.559 23.394 15.207 1.00 45.72 C -ATOM 619 CB GLN A 82 14.867 24.800 14.697 1.00 47.65 C -ATOM 620 CG GLN A 82 14.504 25.873 15.708 1.00 53.02 C -ATOM 621 CD GLN A 82 14.285 27.234 15.080 1.00 56.55 C -ATOM 622 OE1 GLN A 82 15.117 27.720 14.308 1.00 57.55 O -ATOM 623 NE2 GLN A 82 13.159 27.861 15.415 1.00 56.94 N -ATOM 624 C GLN A 82 13.256 22.874 14.612 1.00 46.12 C -ATOM 625 O GLN A 82 12.973 23.052 13.424 1.00 44.08 O -ATOM 626 N GLY A 83 12.476 22.218 15.458 1.00 46.71 N -ATOM 627 CA GLY A 83 11.243 21.606 15.015 1.00 45.85 C -ATOM 628 C GLY A 83 11.606 20.134 14.914 1.00 45.04 C -ATOM 629 O GLY A 83 12.578 19.776 14.246 1.00 44.19 O -ATOM 630 N ARG A 84 10.866 19.286 15.612 1.00 44.24 N -ATOM 631 CA ARG A 84 11.131 17.858 15.581 1.00 44.68 C -ATOM 632 CB ARG A 84 11.525 17.352 16.977 1.00 42.27 C -ATOM 633 CG ARG A 84 10.633 17.849 18.111 1.00 44.10 C -ATOM 634 CD ARG A 84 10.121 16.691 18.953 1.00 44.60 C -ATOM 635 NE ARG A 84 11.208 15.895 19.518 1.00 46.99 N -ATOM 636 CZ ARG A 84 11.833 16.181 20.658 1.00 45.99 C -ATOM 637 NH1 ARG A 84 11.479 17.245 21.369 1.00 42.93 N -ATOM 638 NH2 ARG A 84 12.815 15.401 21.085 1.00 47.95 N -ATOM 639 C ARG A 84 9.871 17.165 15.083 1.00 44.60 C -ATOM 640 O ARG A 84 8.802 17.768 15.065 1.00 46.41 O -ATOM 641 N PHE A 85 9.997 15.913 14.662 1.00 43.09 N -ATOM 642 CA PHE A 85 8.849 15.171 14.153 1.00 41.25 C -ATOM 643 CB PHE A 85 9.297 14.229 13.029 1.00 42.09 C -ATOM 644 CG PHE A 85 10.058 14.920 11.924 1.00 41.55 C -ATOM 645 CD1 PHE A 85 9.442 15.886 11.130 1.00 43.83 C -ATOM 646 CE1 PHE A 85 10.156 16.554 10.116 1.00 43.57 C -ATOM 647 CZ PHE A 85 11.501 16.247 9.898 1.00 41.57 C -ATOM 648 CD2 PHE A 85 11.401 14.622 11.693 1.00 40.34 C -ATOM 649 CE2 PHE A 85 12.124 15.278 10.689 1.00 40.37 C -ATOM 650 C PHE A 85 8.180 14.376 15.270 1.00 41.41 C -ATOM 651 O PHE A 85 8.853 13.819 16.144 1.00 42.72 O -ATOM 652 N HIS A 86 6.851 14.333 15.252 1.00 39.72 N -ATOM 653 CA HIS A 86 6.111 13.594 16.265 1.00 37.41 C -ATOM 654 CB HIS A 86 5.161 14.504 17.046 1.00 37.92 C -ATOM 655 CG HIS A 86 5.820 15.692 17.669 1.00 38.62 C -ATOM 656 ND1 HIS A 86 6.099 16.842 16.963 1.00 39.06 N -ATOM 657 CE1 HIS A 86 6.645 17.730 17.777 1.00 37.45 C -ATOM 658 NE2 HIS A 86 6.732 17.195 18.980 1.00 40.04 N -ATOM 659 CD2 HIS A 86 6.226 15.917 18.940 1.00 38.57 C -ATOM 660 C HIS A 86 5.277 12.486 15.649 1.00 37.29 C -ATOM 661 O HIS A 86 4.802 12.596 14.521 1.00 37.46 O -ATOM 662 N MET A 87 5.090 11.424 16.420 1.00 35.50 N -ATOM 663 CA MET A 87 4.297 10.297 15.990 1.00 36.03 C -ATOM 664 CB MET A 87 4.355 9.207 17.066 1.00 35.13 C -ATOM 665 CG MET A 87 3.477 8.015 16.801 1.00 40.39 C -ATOM 666 SD MET A 87 3.920 6.593 17.826 1.00 44.22 S -ATOM 667 CE MET A 87 3.581 7.187 19.393 1.00 37.63 C -ATOM 668 C MET A 87 2.844 10.741 15.734 1.00 34.19 C -ATOM 669 O MET A 87 2.221 10.311 14.758 1.00 33.42 O -ATOM 670 N TYR A 88 2.316 11.616 16.588 1.00 32.43 N -ATOM 671 CA TYR A 88 0.935 12.071 16.424 1.00 33.73 C -ATOM 672 CB TYR A 88 0.485 12.937 17.621 1.00 32.36 C -ATOM 673 CG TYR A 88 1.238 14.241 17.827 1.00 31.60 C -ATOM 674 CD1 TYR A 88 1.142 15.288 16.905 1.00 32.16 C -ATOM 675 CE1 TYR A 88 1.838 16.489 17.098 1.00 34.18 C -ATOM 676 CZ TYR A 88 2.635 16.639 18.232 1.00 35.40 C -ATOM 677 OH TYR A 88 3.350 17.791 18.431 1.00 39.72 O -ATOM 678 CE2 TYR A 88 2.739 15.617 19.159 1.00 32.80 C -ATOM 679 CD2 TYR A 88 2.046 14.426 18.953 1.00 30.46 C -ATOM 680 C TYR A 88 0.668 12.810 15.111 1.00 35.37 C -ATOM 681 O TYR A 88 -0.483 12.914 14.690 1.00 37.42 O -ATOM 682 N GLU A 89 1.713 13.315 14.457 1.00 35.53 N -ATOM 683 CA GLU A 89 1.523 14.022 13.187 1.00 35.84 C -ATOM 684 CB GLU A 89 2.742 14.895 12.836 1.00 39.91 C -ATOM 685 CG GLU A 89 3.103 15.984 13.853 1.00 46.10 C -ATOM 686 CD GLU A 89 4.375 16.767 13.466 1.00 51.71 C -ATOM 687 OE1 GLU A 89 4.339 17.549 12.485 1.00 55.84 O -ATOM 688 OE2 GLU A 89 5.415 16.597 14.140 1.00 49.63 O -ATOM 689 C GLU A 89 1.280 13.023 12.046 1.00 35.39 C -ATOM 690 O GLU A 89 0.917 13.422 10.931 1.00 32.75 O -ATOM 691 N GLY A 90 1.496 11.734 12.322 1.00 31.80 N -ATOM 692 CA GLY A 90 1.271 10.708 11.312 1.00 29.50 C -ATOM 693 C GLY A 90 2.530 10.006 10.825 1.00 30.74 C -ATOM 694 O GLY A 90 2.466 9.000 10.112 1.00 27.80 O -ATOM 695 N TYR A 91 3.685 10.535 11.212 1.00 30.40 N -ATOM 696 CA TYR A 91 4.959 9.955 10.814 1.00 30.14 C -ATOM 697 CB TYR A 91 6.117 10.887 11.173 1.00 32.63 C -ATOM 698 CG TYR A 91 6.095 12.254 10.536 1.00 35.62 C -ATOM 699 CD1 TYR A 91 6.404 12.430 9.187 1.00 37.00 C -ATOM 700 CE1 TYR A 91 6.406 13.710 8.609 1.00 38.45 C -ATOM 701 CZ TYR A 91 6.093 14.811 9.390 1.00 40.14 C -ATOM 702 OH TYR A 91 6.091 16.075 8.844 1.00 47.74 O -ATOM 703 CE2 TYR A 91 5.781 14.657 10.727 1.00 40.03 C -ATOM 704 CD2 TYR A 91 5.783 13.383 11.293 1.00 37.70 C -ATOM 705 C TYR A 91 5.241 8.633 11.514 1.00 30.69 C -ATOM 706 O TYR A 91 5.034 8.509 12.721 1.00 31.04 O -ATOM 707 N PRO A 92 5.675 7.613 10.759 1.00 29.82 N -ATOM 708 CA PRO A 92 5.979 6.359 11.447 1.00 29.88 C -ATOM 709 CB PRO A 92 6.138 5.351 10.298 1.00 29.52 C -ATOM 710 CG PRO A 92 6.420 6.175 9.110 1.00 31.19 C -ATOM 711 CD PRO A 92 5.569 7.406 9.307 1.00 29.47 C -ATOM 712 C PRO A 92 7.298 6.657 12.198 1.00 31.03 C -ATOM 713 O PRO A 92 8.002 7.605 11.847 1.00 31.26 O -ATOM 714 N LEU A 93 7.640 5.867 13.208 1.00 28.56 N -ATOM 715 CA LEU A 93 8.842 6.149 13.984 1.00 29.25 C -ATOM 716 CB LEU A 93 8.907 5.243 15.221 1.00 27.50 C -ATOM 717 CG LEU A 93 7.803 5.493 16.254 1.00 27.32 C -ATOM 718 CD1 LEU A 93 7.960 4.523 17.409 1.00 23.02 C -ATOM 719 CD2 LEU A 93 7.860 6.936 16.758 1.00 28.76 C -ATOM 720 C LEU A 93 10.166 6.100 13.226 1.00 30.22 C -ATOM 721 O LEU A 93 11.140 6.737 13.643 1.00 31.98 O -ATOM 722 N TRP A 94 10.221 5.357 12.126 1.00 28.69 N -ATOM 723 CA TRP A 94 11.455 5.312 11.366 1.00 29.91 C -ATOM 724 CB TRP A 94 11.481 4.128 10.386 1.00 28.74 C -ATOM 725 CG TRP A 94 10.241 3.917 9.578 1.00 30.91 C -ATOM 726 CD1 TRP A 94 9.188 3.094 9.888 1.00 29.39 C -ATOM 727 NE1 TRP A 94 8.270 3.092 8.858 1.00 32.00 N -ATOM 728 CE2 TRP A 94 8.710 3.926 7.864 1.00 30.05 C -ATOM 729 CD2 TRP A 94 9.953 4.470 8.282 1.00 30.24 C -ATOM 730 CE3 TRP A 94 10.625 5.364 7.432 1.00 30.14 C -ATOM 731 CZ3 TRP A 94 10.046 5.691 6.201 1.00 31.12 C -ATOM 732 CH2 TRP A 94 8.799 5.131 5.812 1.00 32.60 C -ATOM 733 CZ2 TRP A 94 8.123 4.252 6.630 1.00 30.74 C -ATOM 734 C TRP A 94 11.672 6.636 10.619 1.00 31.07 C -ATOM 735 O TRP A 94 12.743 6.867 10.080 1.00 31.41 O -ATOM 736 N LYS A 95 10.652 7.492 10.572 1.00 30.97 N -ATOM 737 CA LYS A 95 10.801 8.804 9.926 1.00 33.05 C -ATOM 738 CB LYS A 95 9.507 9.267 9.237 1.00 32.40 C -ATOM 739 CG LYS A 95 9.318 8.729 7.818 1.00 33.87 C -ATOM 740 CD LYS A 95 8.126 9.383 7.125 1.00 36.85 C -ATOM 741 CE LYS A 95 7.930 8.838 5.707 1.00 40.35 C -ATOM 742 NZ LYS A 95 6.646 9.289 5.084 1.00 42.43 N -ATOM 743 C LYS A 95 11.152 9.787 11.031 1.00 32.67 C -ATOM 744 O LYS A 95 12.058 10.601 10.889 1.00 32.07 O -ATOM 745 N VAL A 96 10.419 9.686 12.135 1.00 30.78 N -ATOM 746 CA VAL A 96 10.642 10.531 13.286 1.00 31.29 C -ATOM 747 CB VAL A 96 9.783 10.051 14.484 1.00 31.97 C -ATOM 748 CG1 VAL A 96 10.255 10.713 15.789 1.00 28.95 C -ATOM 749 CG2 VAL A 96 8.315 10.374 14.223 1.00 32.21 C -ATOM 750 C VAL A 96 12.113 10.508 13.702 1.00 32.53 C -ATOM 751 O VAL A 96 12.690 11.546 14.020 1.00 34.56 O -ATOM 752 N THR A 97 12.715 9.324 13.675 1.00 31.32 N -ATOM 753 CA THR A 97 14.100 9.155 14.099 1.00 31.29 C -ATOM 754 CB THR A 97 14.249 7.863 14.933 1.00 30.21 C -ATOM 755 OG1 THR A 97 13.907 6.733 14.124 1.00 32.81 O -ATOM 756 CG2 THR A 97 13.321 7.909 16.142 1.00 26.10 C -ATOM 757 C THR A 97 15.134 9.140 12.985 1.00 31.46 C -ATOM 758 O THR A 97 16.316 8.936 13.238 1.00 32.41 O -ATOM 759 N PHE A 98 14.695 9.361 11.754 1.00 32.99 N -ATOM 760 CA PHE A 98 15.607 9.388 10.612 1.00 31.69 C -ATOM 761 CB PHE A 98 14.841 9.838 9.358 1.00 30.14 C -ATOM 762 CG PHE A 98 15.715 10.063 8.156 1.00 27.28 C -ATOM 763 CD1 PHE A 98 16.287 8.984 7.484 1.00 28.86 C -ATOM 764 CE1 PHE A 98 17.131 9.185 6.391 1.00 30.20 C -ATOM 765 CZ PHE A 98 17.408 10.489 5.956 1.00 28.97 C -ATOM 766 CD2 PHE A 98 15.993 11.356 7.718 1.00 28.57 C -ATOM 767 CE2 PHE A 98 16.835 11.578 6.625 1.00 29.53 C -ATOM 768 C PHE A 98 16.811 10.329 10.843 1.00 33.61 C -ATOM 769 O PHE A 98 17.953 9.971 10.568 1.00 34.77 O -ATOM 770 N PRO A 99 16.566 11.547 11.346 1.00 34.62 N -ATOM 771 CA PRO A 99 17.674 12.484 11.578 1.00 37.09 C -ATOM 772 CB PRO A 99 16.981 13.694 12.201 1.00 36.52 C -ATOM 773 CG PRO A 99 15.591 13.626 11.633 1.00 35.37 C -ATOM 774 CD PRO A 99 15.281 12.153 11.733 1.00 34.80 C -ATOM 775 C PRO A 99 18.774 11.925 12.486 1.00 38.49 C -ATOM 776 O PRO A 99 19.960 12.093 12.210 1.00 39.72 O -ATOM 777 N VAL A 100 18.372 11.261 13.566 1.00 37.91 N -ATOM 778 CA VAL A 100 19.323 10.696 14.514 1.00 38.18 C -ATOM 779 CB VAL A 100 18.597 9.881 15.616 1.00 37.70 C -ATOM 780 CG1 VAL A 100 19.610 9.239 16.552 1.00 38.63 C -ATOM 781 CG2 VAL A 100 17.675 10.793 16.414 1.00 35.30 C -ATOM 782 C VAL A 100 20.367 9.819 13.830 1.00 39.24 C -ATOM 783 O VAL A 100 21.556 9.908 14.136 1.00 39.74 O -ATOM 784 N ARG A 101 19.939 8.975 12.900 1.00 39.59 N -ATOM 785 CA ARG A 101 20.892 8.121 12.208 1.00 40.28 C -ATOM 786 CB ARG A 101 20.168 6.988 11.504 1.00 41.54 C -ATOM 787 CG ARG A 101 19.744 5.948 12.505 1.00 44.44 C -ATOM 788 CD ARG A 101 19.127 4.741 11.883 1.00 43.48 C -ATOM 789 NE ARG A 101 18.954 3.722 12.907 1.00 44.05 N -ATOM 790 CZ ARG A 101 18.287 2.597 12.721 1.00 46.72 C -ATOM 791 NH1 ARG A 101 17.729 2.347 11.537 1.00 49.07 N -ATOM 792 NH2 ARG A 101 18.161 1.739 13.722 1.00 45.45 N -ATOM 793 C ARG A 101 21.756 8.896 11.234 1.00 42.21 C -ATOM 794 O ARG A 101 22.881 8.484 10.923 1.00 41.16 O -ATOM 795 N VAL A 102 21.226 10.021 10.754 1.00 40.91 N -ATOM 796 CA VAL A 102 21.974 10.871 9.847 1.00 39.48 C -ATOM 797 CB VAL A 102 21.076 11.982 9.235 1.00 38.36 C -ATOM 798 CG1 VAL A 102 21.928 12.952 8.418 1.00 33.76 C -ATOM 799 CG2 VAL A 102 19.993 11.340 8.337 1.00 36.32 C -ATOM 800 C VAL A 102 23.098 11.503 10.671 1.00 39.85 C -ATOM 801 O VAL A 102 24.249 11.511 10.251 1.00 40.54 O -ATOM 802 N PHE A 103 22.756 12.008 11.852 1.00 39.45 N -ATOM 803 CA PHE A 103 23.732 12.636 12.737 1.00 41.65 C -ATOM 804 CB PHE A 103 23.083 13.037 14.063 1.00 40.75 C -ATOM 805 CG PHE A 103 21.966 14.031 13.920 1.00 40.81 C -ATOM 806 CD1 PHE A 103 21.913 14.896 12.831 1.00 41.33 C -ATOM 807 CE1 PHE A 103 20.883 15.842 12.714 1.00 42.29 C -ATOM 808 CZ PHE A 103 19.902 15.923 13.694 1.00 38.88 C -ATOM 809 CD2 PHE A 103 20.973 14.121 14.894 1.00 40.87 C -ATOM 810 CE2 PHE A 103 19.945 15.065 14.785 1.00 39.23 C -ATOM 811 C PHE A 103 24.901 11.702 13.021 1.00 43.64 C -ATOM 812 O PHE A 103 26.056 12.112 12.988 1.00 43.34 O -ATOM 813 N HIS A 104 24.587 10.442 13.299 1.00 44.17 N -ATOM 814 CA HIS A 104 25.604 9.446 13.580 1.00 43.92 C -ATOM 815 CB HIS A 104 24.932 8.094 13.833 1.00 43.65 C -ATOM 816 CG HIS A 104 25.875 6.936 13.819 1.00 44.61 C -ATOM 817 ND1 HIS A 104 26.883 6.785 14.747 1.00 46.52 N -ATOM 818 CE1 HIS A 104 27.566 5.689 14.477 1.00 46.35 C -ATOM 819 NE2 HIS A 104 27.038 5.120 13.408 1.00 48.03 N -ATOM 820 CD2 HIS A 104 25.978 5.880 12.978 1.00 46.67 C -ATOM 821 C HIS A 104 26.596 9.345 12.418 1.00 45.54 C -ATOM 822 O HIS A 104 27.810 9.282 12.629 1.00 45.58 O -ATOM 823 N LEU A 105 26.077 9.330 11.194 1.00 44.50 N -ATOM 824 CA LEU A 105 26.919 9.235 10.008 1.00 43.86 C -ATOM 825 CB LEU A 105 26.075 8.859 8.788 1.00 45.78 C -ATOM 826 CG LEU A 105 25.434 7.469 8.793 1.00 46.05 C -ATOM 827 CD1 LEU A 105 24.704 7.254 7.481 1.00 46.66 C -ATOM 828 CD2 LEU A 105 26.505 6.403 8.987 1.00 45.67 C -ATOM 829 C LEU A 105 27.670 10.537 9.729 1.00 43.98 C -ATOM 830 O LEU A 105 28.625 10.554 8.958 1.00 42.30 O -ATOM 831 N LEU A 106 27.223 11.629 10.343 1.00 43.26 N -ATOM 832 CA LEU A 106 27.885 12.915 10.167 1.00 44.67 C -ATOM 833 CB LEU A 106 26.931 14.067 10.486 1.00 44.05 C -ATOM 834 CG LEU A 106 25.817 14.345 9.479 1.00 43.82 C -ATOM 835 CD1 LEU A 106 24.980 15.505 9.973 1.00 44.76 C -ATOM 836 CD2 LEU A 106 26.413 14.663 8.121 1.00 43.28 C -ATOM 837 C LEU A 106 29.085 12.980 11.111 1.00 44.82 C -ATOM 838 O LEU A 106 29.964 13.819 10.950 1.00 44.61 O -ATOM 839 N GLY A 107 29.101 12.085 12.097 1.00 44.64 N -ATOM 840 CA GLY A 107 30.187 12.041 13.058 1.00 44.46 C -ATOM 841 C GLY A 107 29.814 12.527 14.447 1.00 44.94 C -ATOM 842 O GLY A 107 30.690 12.754 15.279 1.00 44.96 O -ATOM 843 N VAL A 108 28.520 12.708 14.699 1.00 41.96 N -ATOM 844 CA VAL A 108 28.061 13.156 16.005 1.00 41.20 C -ATOM 845 CB VAL A 108 26.593 13.635 15.936 1.00 41.86 C -ATOM 846 CG1 VAL A 108 25.986 13.693 17.324 1.00 40.55 C -ATOM 847 CG2 VAL A 108 26.531 15.016 15.284 1.00 41.99 C -ATOM 848 C VAL A 108 28.183 12.004 17.006 1.00 42.03 C -ATOM 849 O VAL A 108 27.885 10.855 16.681 1.00 40.80 O -ATOM 850 N ASP A 109 28.638 12.298 18.218 1.00 40.81 N -ATOM 851 CA ASP A 109 28.762 11.234 19.200 1.00 39.68 C -ATOM 852 CB ASP A 109 30.239 10.973 19.546 1.00 41.30 C -ATOM 853 CG ASP A 109 30.900 12.115 20.314 1.00 44.15 C -ATOM 854 OD1 ASP A 109 30.207 12.978 20.910 1.00 42.58 O -ATOM 855 OD2 ASP A 109 32.150 12.125 20.332 1.00 46.62 O -ATOM 856 C ASP A 109 27.951 11.544 20.437 1.00 37.41 C -ATOM 857 O ASP A 109 27.945 10.785 21.401 1.00 38.69 O -ATOM 858 N THR A 110 27.237 12.657 20.395 1.00 36.05 N -ATOM 859 CA THR A 110 26.424 13.042 21.531 1.00 37.59 C -ATOM 860 CB THR A 110 27.159 14.088 22.402 1.00 38.54 C -ATOM 861 OG1 THR A 110 28.426 13.557 22.810 1.00 39.30 O -ATOM 862 CG2 THR A 110 26.337 14.441 23.634 1.00 34.10 C -ATOM 863 C THR A 110 25.091 13.626 21.088 1.00 38.89 C -ATOM 864 O THR A 110 25.027 14.434 20.156 1.00 40.14 O -ATOM 865 N LEU A 111 24.027 13.212 21.767 1.00 38.20 N -ATOM 866 CA LEU A 111 22.701 13.715 21.464 1.00 39.65 C -ATOM 867 CB LEU A 111 21.794 12.589 20.949 1.00 40.30 C -ATOM 868 CG LEU A 111 20.319 12.978 20.782 1.00 43.11 C -ATOM 869 CD1 LEU A 111 20.209 14.075 19.716 1.00 42.10 C -ATOM 870 CD2 LEU A 111 19.482 11.750 20.393 1.00 42.46 C -ATOM 871 C LEU A 111 22.076 14.343 22.701 1.00 38.97 C -ATOM 872 O LEU A 111 21.955 13.702 23.743 1.00 41.24 O -ATOM 873 N VAL A 112 21.692 15.606 22.579 1.00 38.26 N -ATOM 874 CA VAL A 112 21.044 16.316 23.666 1.00 37.99 C -ATOM 875 CB VAL A 112 21.687 17.699 23.906 1.00 39.29 C -ATOM 876 CG1 VAL A 112 20.977 18.403 25.047 1.00 37.82 C -ATOM 877 CG2 VAL A 112 23.171 17.534 24.201 1.00 38.12 C -ATOM 878 C VAL A 112 19.605 16.523 23.221 1.00 38.93 C -ATOM 879 O VAL A 112 19.349 17.165 22.199 1.00 39.61 O -ATOM 880 N VAL A 113 18.668 15.973 23.983 1.00 37.41 N -ATOM 881 CA VAL A 113 17.259 16.097 23.659 1.00 36.23 C -ATOM 882 CB VAL A 113 16.571 14.704 23.614 1.00 37.61 C -ATOM 883 CG1 VAL A 113 17.169 13.856 22.509 1.00 36.91 C -ATOM 884 CG2 VAL A 113 16.744 13.998 24.953 1.00 39.36 C -ATOM 885 C VAL A 113 16.555 16.948 24.698 1.00 36.02 C -ATOM 886 O VAL A 113 16.795 16.808 25.887 1.00 39.01 O -ATOM 887 N THR A 114 15.688 17.840 24.249 1.00 36.43 N -ATOM 888 CA THR A 114 14.937 18.679 25.169 1.00 37.37 C -ATOM 889 CB THR A 114 15.435 20.134 25.158 1.00 38.14 C -ATOM 890 OG1 THR A 114 15.085 20.745 23.912 1.00 38.85 O -ATOM 891 CG2 THR A 114 16.956 20.181 25.341 1.00 40.51 C -ATOM 892 C THR A 114 13.491 18.671 24.706 1.00 36.74 C -ATOM 893 O THR A 114 13.224 18.497 23.519 1.00 36.32 O -ATOM 894 N ASN A 115 12.567 18.875 25.639 1.00 34.73 N -ATOM 895 CA ASN A 115 11.151 18.883 25.308 1.00 36.13 C -ATOM 896 CB ASN A 115 10.624 17.443 25.181 1.00 33.37 C -ATOM 897 CG ASN A 115 10.750 16.651 26.485 1.00 36.98 C -ATOM 898 OD1 ASN A 115 10.285 17.085 27.542 1.00 37.38 O -ATOM 899 ND2 ASN A 115 11.374 15.480 26.409 1.00 35.27 N -ATOM 900 C ASN A 115 10.361 19.597 26.387 1.00 35.40 C -ATOM 901 O ASN A 115 10.895 19.933 27.434 1.00 38.06 O -ATOM 902 N ALA A 116 9.088 19.836 26.111 1.00 36.04 N -ATOM 903 CA ALA A 116 8.185 20.446 27.072 1.00 37.02 C -ATOM 904 CB ALA A 116 7.221 21.398 26.370 1.00 35.29 C -ATOM 905 C ALA A 116 7.433 19.229 27.606 1.00 38.15 C -ATOM 906 O ALA A 116 7.309 18.228 26.902 1.00 40.13 O -ATOM 907 N ALA A 117 6.943 19.293 28.836 1.00 38.85 N -ATOM 908 CA ALA A 117 6.230 18.156 29.394 1.00 40.08 C -ATOM 909 CB ALA A 117 7.223 17.109 29.897 1.00 40.68 C -ATOM 910 C ALA A 117 5.300 18.557 30.518 1.00 41.80 C -ATOM 911 O ALA A 117 5.488 19.592 31.165 1.00 43.87 O -ATOM 912 N GLY A 118 4.289 17.727 30.735 1.00 40.93 N -ATOM 913 CA GLY A 118 3.341 17.972 31.796 1.00 41.01 C -ATOM 914 C GLY A 118 3.926 17.328 33.029 1.00 42.33 C -ATOM 915 O GLY A 118 4.496 16.235 32.958 1.00 40.95 O -ATOM 916 N GLY A 119 3.804 18.010 34.161 1.00 43.23 N -ATOM 917 CA GLY A 119 4.342 17.474 35.390 1.00 43.05 C -ATOM 918 C GLY A 119 3.364 16.526 36.040 1.00 44.19 C -ATOM 919 O GLY A 119 2.206 16.869 36.260 1.00 43.61 O -ATOM 920 N LEU A 120 3.839 15.322 36.339 1.00 45.09 N -ATOM 921 CA LEU A 120 3.024 14.307 36.981 1.00 45.91 C -ATOM 922 CB LEU A 120 3.290 12.937 36.336 1.00 42.78 C -ATOM 923 CG LEU A 120 2.815 12.785 34.884 1.00 40.87 C -ATOM 924 CD1 LEU A 120 3.393 11.535 34.258 1.00 40.52 C -ATOM 925 CD2 LEU A 120 1.298 12.735 34.857 1.00 41.01 C -ATOM 926 C LEU A 120 3.396 14.293 38.461 1.00 48.26 C -ATOM 927 O LEU A 120 2.543 14.099 39.329 1.00 48.44 O -ATOM 928 N ASN A 121 4.680 14.505 38.741 1.00 51.94 N -ATOM 929 CA ASN A 121 5.164 14.538 40.117 1.00 54.93 C -ATOM 930 CB ASN A 121 6.694 14.530 40.150 1.00 54.71 C -ATOM 931 CG ASN A 121 7.247 14.288 41.547 1.00 54.51 C -ATOM 932 OD1 ASN A 121 6.872 14.965 42.504 1.00 54.33 O -ATOM 933 ND2 ASN A 121 8.145 13.319 41.666 1.00 53.54 N -ATOM 934 C ASN A 121 4.647 15.828 40.756 1.00 56.12 C -ATOM 935 O ASN A 121 4.891 16.919 40.250 1.00 55.99 O -ATOM 936 N PRO A 122 3.925 15.715 41.877 1.00 57.94 N -ATOM 937 CA PRO A 122 3.383 16.893 42.562 1.00 60.21 C -ATOM 938 CB PRO A 122 2.562 16.283 43.696 1.00 60.37 C -ATOM 939 CG PRO A 122 3.293 15.001 43.987 1.00 60.58 C -ATOM 940 CD PRO A 122 3.590 14.479 42.605 1.00 58.27 C -ATOM 941 C PRO A 122 4.416 17.911 43.057 1.00 61.37 C -ATOM 942 O PRO A 122 4.090 19.080 43.246 1.00 62.41 O -ATOM 943 N LYS A 123 5.655 17.475 43.263 1.00 63.20 N -ATOM 944 CA LYS A 123 6.705 18.384 43.723 1.00 64.75 C -ATOM 945 CB LYS A 123 8.018 17.633 43.979 1.00 67.11 C -ATOM 946 CG LYS A 123 8.003 16.613 45.111 1.00 71.00 C -ATOM 947 CD LYS A 123 9.343 15.870 45.170 1.00 72.60 C -ATOM 948 CE LYS A 123 9.355 14.777 46.236 1.00 74.92 C -ATOM 949 NZ LYS A 123 9.229 15.320 47.622 1.00 75.46 N -ATOM 950 C LYS A 123 6.971 19.441 42.660 1.00 64.38 C -ATOM 951 O LYS A 123 7.258 20.597 42.971 1.00 66.04 O -ATOM 952 N PHE A 124 6.875 19.030 41.401 1.00 62.57 N -ATOM 953 CA PHE A 124 7.141 19.913 40.274 1.00 60.27 C -ATOM 954 CB PHE A 124 7.067 19.120 38.964 1.00 58.25 C -ATOM 955 CG PHE A 124 8.125 18.050 38.829 1.00 57.29 C -ATOM 956 CD1 PHE A 124 8.979 17.737 39.886 1.00 56.62 C -ATOM 957 CE1 PHE A 124 9.947 16.733 39.756 1.00 56.74 C -ATOM 958 CZ PHE A 124 10.064 16.032 38.560 1.00 55.80 C -ATOM 959 CD2 PHE A 124 8.256 17.340 37.639 1.00 56.99 C -ATOM 960 CE2 PHE A 124 9.220 16.334 37.500 1.00 56.44 C -ATOM 961 C PHE A 124 6.227 21.127 40.186 1.00 59.90 C -ATOM 962 O PHE A 124 5.068 21.089 40.597 1.00 60.66 O -ATOM 963 N GLU A 125 6.775 22.210 39.648 1.00 59.32 N -ATOM 964 CA GLU A 125 6.044 23.455 39.465 1.00 59.32 C -ATOM 965 CB GLU A 125 6.533 24.527 40.449 1.00 61.77 C -ATOM 966 CG GLU A 125 6.294 24.217 41.916 1.00 65.65 C -ATOM 967 CD GLU A 125 4.825 23.992 42.232 1.00 69.04 C -ATOM 968 OE1 GLU A 125 3.997 24.859 41.877 1.00 70.39 O -ATOM 969 OE2 GLU A 125 4.498 22.948 42.840 1.00 71.55 O -ATOM 970 C GLU A 125 6.313 23.932 38.046 1.00 57.12 C -ATOM 971 O GLU A 125 7.363 23.634 37.472 1.00 55.85 O -ATOM 972 N VAL A 126 5.366 24.666 37.476 1.00 55.97 N -ATOM 973 CA VAL A 126 5.550 25.194 36.133 1.00 56.13 C -ATOM 974 CB VAL A 126 4.407 26.159 35.749 1.00 55.82 C -ATOM 975 CG1 VAL A 126 4.662 26.755 34.375 1.00 55.54 C -ATOM 976 CG2 VAL A 126 3.081 25.422 35.769 1.00 55.79 C -ATOM 977 C VAL A 126 6.871 25.960 36.137 1.00 56.36 C -ATOM 978 O VAL A 126 7.173 26.678 37.095 1.00 56.41 O -ATOM 979 N GLY A 127 7.659 25.793 35.078 1.00 55.57 N -ATOM 980 CA GLY A 127 8.933 26.481 34.985 1.00 54.74 C -ATOM 981 C GLY A 127 10.107 25.607 35.377 1.00 54.46 C -ATOM 982 O GLY A 127 11.246 25.860 34.976 1.00 54.26 O -ATOM 983 N ASP A 128 9.832 24.573 36.165 1.00 54.10 N -ATOM 984 CA ASP A 128 10.875 23.653 36.604 1.00 53.76 C -ATOM 985 CB ASP A 128 10.286 22.591 37.542 1.00 55.27 C -ATOM 986 CG ASP A 128 10.163 23.073 38.979 1.00 56.60 C -ATOM 987 OD1 ASP A 128 10.219 24.301 39.209 1.00 58.61 O -ATOM 988 OD2 ASP A 128 10.003 22.220 39.878 1.00 55.67 O -ATOM 989 C ASP A 128 11.560 22.958 35.434 1.00 53.36 C -ATOM 990 O ASP A 128 10.985 22.807 34.352 1.00 53.70 O -ATOM 991 N ILE A 129 12.798 22.541 35.658 1.00 52.25 N -ATOM 992 CA ILE A 129 13.563 21.837 34.648 1.00 52.77 C -ATOM 993 CB ILE A 129 14.923 22.504 34.393 1.00 53.76 C -ATOM 994 CG1 ILE A 129 14.726 23.967 33.988 1.00 55.09 C -ATOM 995 CG2 ILE A 129 15.684 21.735 33.320 1.00 52.18 C -ATOM 996 CD1 ILE A 129 13.886 24.159 32.750 1.00 58.54 C -ATOM 997 C ILE A 129 13.821 20.447 35.204 1.00 53.65 C -ATOM 998 O ILE A 129 14.370 20.312 36.299 1.00 55.31 O -ATOM 999 N MET A 130 13.419 19.414 34.470 1.00 52.52 N -ATOM 1000 CA MET A 130 13.647 18.059 34.943 1.00 50.75 C -ATOM 1001 CB MET A 130 12.358 17.235 34.941 1.00 49.97 C -ATOM 1002 CG MET A 130 12.587 15.807 35.445 1.00 50.16 C -ATOM 1003 SD MET A 130 11.201 14.670 35.222 1.00 49.34 S -ATOM 1004 CE MET A 130 11.691 13.926 33.678 1.00 48.17 C -ATOM 1005 C MET A 130 14.685 17.326 34.120 1.00 50.23 C -ATOM 1006 O MET A 130 14.502 17.100 32.926 1.00 50.04 O -ATOM 1007 N LEU A 131 15.786 16.967 34.765 1.00 49.58 N -ATOM 1008 CA LEU A 131 16.837 16.211 34.106 1.00 49.61 C -ATOM 1009 CB LEU A 131 18.064 16.135 35.020 1.00 50.39 C -ATOM 1010 CG LEU A 131 19.261 15.297 34.574 1.00 52.09 C -ATOM 1011 CD1 LEU A 131 19.855 15.886 33.308 1.00 51.74 C -ATOM 1012 CD2 LEU A 131 20.307 15.267 35.686 1.00 53.21 C -ATOM 1013 C LEU A 131 16.217 14.824 33.918 1.00 48.25 C -ATOM 1014 O LEU A 131 15.581 14.304 34.834 1.00 48.12 O -ATOM 1015 N ILE A 132 16.376 14.227 32.741 1.00 46.93 N -ATOM 1016 CA ILE A 132 15.788 12.909 32.511 1.00 44.94 C -ATOM 1017 CB ILE A 132 15.391 12.722 31.023 1.00 45.05 C -ATOM 1018 CG1 ILE A 132 14.449 13.853 30.595 1.00 43.15 C -ATOM 1019 CG2 ILE A 132 14.720 11.355 30.822 1.00 41.36 C -ATOM 1020 CD1 ILE A 132 14.220 13.937 29.100 1.00 41.61 C -ATOM 1021 C ILE A 132 16.739 11.794 32.928 1.00 44.42 C -ATOM 1022 O ILE A 132 17.801 11.614 32.334 1.00 43.31 O -ATOM 1023 N ARG A 133 16.350 11.048 33.958 1.00 45.17 N -ATOM 1024 CA ARG A 133 17.163 9.945 34.462 1.00 46.07 C -ATOM 1025 CB ARG A 133 17.022 9.829 35.988 1.00 50.45 C -ATOM 1026 CG ARG A 133 17.721 8.599 36.589 1.00 57.82 C -ATOM 1027 CD ARG A 133 18.912 8.980 37.465 1.00 62.86 C -ATOM 1028 NE ARG A 133 19.871 7.883 37.623 1.00 68.45 N -ATOM 1029 CZ ARG A 133 20.962 7.934 38.391 1.00 70.19 C -ATOM 1030 NH1 ARG A 133 21.247 9.030 39.088 1.00 70.93 N -ATOM 1031 NH2 ARG A 133 21.784 6.893 38.450 1.00 70.20 N -ATOM 1032 C ARG A 133 16.752 8.623 33.823 1.00 45.24 C -ATOM 1033 O ARG A 133 17.563 7.704 33.716 1.00 44.07 O -ATOM 1034 N ASP A 134 15.493 8.536 33.396 1.00 43.24 N -ATOM 1035 CA ASP A 134 14.974 7.311 32.797 1.00 41.31 C -ATOM 1036 CB ASP A 134 14.687 6.292 33.903 1.00 42.95 C -ATOM 1037 CG ASP A 134 14.835 4.862 33.437 1.00 45.67 C -ATOM 1038 OD1 ASP A 134 14.907 4.635 32.213 1.00 48.55 O -ATOM 1039 OD2 ASP A 134 14.878 3.958 34.298 1.00 48.06 O -ATOM 1040 C ASP A 134 13.674 7.608 32.047 1.00 40.68 C -ATOM 1041 O ASP A 134 13.133 8.713 32.130 1.00 40.63 O -ATOM 1042 N HIS A 135 13.164 6.623 31.318 1.00 37.18 N -ATOM 1043 CA HIS A 135 11.915 6.824 30.601 1.00 36.34 C -ATOM 1044 CB HIS A 135 12.182 7.328 29.173 1.00 31.06 C -ATOM 1045 CG HIS A 135 12.745 6.294 28.246 1.00 29.47 C -ATOM 1046 ND1 HIS A 135 13.711 6.589 27.310 1.00 28.42 N -ATOM 1047 CE1 HIS A 135 14.005 5.501 26.620 1.00 28.03 C -ATOM 1048 NE2 HIS A 135 13.260 4.508 27.072 1.00 28.29 N -ATOM 1049 CD2 HIS A 135 12.462 4.976 28.088 1.00 30.28 C -ATOM 1050 C HIS A 135 11.066 5.560 30.558 1.00 36.81 C -ATOM 1051 O HIS A 135 11.560 4.453 30.780 1.00 38.63 O -ATOM 1052 N ILE A 136 9.777 5.743 30.306 1.00 35.81 N -ATOM 1053 CA ILE A 136 8.856 4.629 30.167 1.00 34.33 C -ATOM 1054 CB ILE A 136 7.698 4.715 31.159 1.00 35.02 C -ATOM 1055 CG1 ILE A 136 8.230 4.549 32.587 1.00 32.67 C -ATOM 1056 CG2 ILE A 136 6.667 3.638 30.843 1.00 33.20 C -ATOM 1057 CD1 ILE A 136 7.237 4.984 33.644 1.00 30.39 C -ATOM 1058 C ILE A 136 8.322 4.766 28.751 1.00 35.69 C -ATOM 1059 O ILE A 136 7.643 5.745 28.418 1.00 37.12 O -ATOM 1060 N ASN A 137 8.653 3.796 27.911 1.00 34.27 N -ATOM 1061 CA ASN A 137 8.235 3.823 26.522 1.00 34.03 C -ATOM 1062 CB ASN A 137 9.377 3.282 25.657 1.00 31.51 C -ATOM 1063 CG ASN A 137 9.088 3.379 24.185 1.00 33.35 C -ATOM 1064 OD1 ASN A 137 8.095 3.977 23.778 1.00 33.62 O -ATOM 1065 ND2 ASN A 137 9.956 2.788 23.369 1.00 33.19 N -ATOM 1066 C ASN A 137 6.932 3.047 26.271 1.00 33.85 C -ATOM 1067 O ASN A 137 6.946 1.944 25.723 1.00 34.65 O -ATOM 1068 N LEU A 138 5.807 3.643 26.666 1.00 33.56 N -ATOM 1069 CA LEU A 138 4.493 3.025 26.492 1.00 33.70 C -ATOM 1070 CB LEU A 138 3.390 3.962 26.987 1.00 34.19 C -ATOM 1071 CG LEU A 138 3.329 4.131 28.508 1.00 32.23 C -ATOM 1072 CD1 LEU A 138 2.093 4.937 28.872 1.00 32.68 C -ATOM 1073 CD2 LEU A 138 3.273 2.755 29.191 1.00 32.88 C -ATOM 1074 C LEU A 138 4.221 2.602 25.053 1.00 33.04 C -ATOM 1075 O LEU A 138 3.778 1.487 24.814 1.00 35.71 O -ATOM 1076 N PRO A 139 4.477 3.484 24.072 1.00 33.73 N -ATOM 1077 CA PRO A 139 4.225 3.060 22.691 1.00 32.52 C -ATOM 1078 CB PRO A 139 4.635 4.282 21.877 1.00 33.24 C -ATOM 1079 CG PRO A 139 4.313 5.423 22.803 1.00 31.03 C -ATOM 1080 CD PRO A 139 4.820 4.916 24.129 1.00 33.74 C -ATOM 1081 C PRO A 139 5.084 1.834 22.356 1.00 33.03 C -ATOM 1082 O PRO A 139 4.639 0.914 21.653 1.00 30.66 O -ATOM 1083 N GLY A 140 6.316 1.835 22.875 1.00 30.99 N -ATOM 1084 CA GLY A 140 7.236 0.736 22.637 1.00 30.17 C -ATOM 1085 C GLY A 140 6.748 -0.627 23.115 1.00 31.35 C -ATOM 1086 O GLY A 140 7.010 -1.649 22.468 1.00 29.26 O -ATOM 1087 N PHE A 141 6.051 -0.659 24.247 1.00 31.92 N -ATOM 1088 CA PHE A 141 5.535 -1.928 24.775 1.00 35.01 C -ATOM 1089 CB PHE A 141 4.729 -1.709 26.064 1.00 35.50 C -ATOM 1090 CG PHE A 141 5.556 -1.368 27.268 1.00 37.25 C -ATOM 1091 CD1 PHE A 141 6.895 -1.737 27.352 1.00 37.79 C -ATOM 1092 CE1 PHE A 141 7.639 -1.468 28.506 1.00 39.44 C -ATOM 1093 CZ PHE A 141 7.046 -0.821 29.585 1.00 38.92 C -ATOM 1094 CD2 PHE A 141 4.973 -0.718 28.354 1.00 39.92 C -ATOM 1095 CE2 PHE A 141 5.709 -0.446 29.512 1.00 39.43 C -ATOM 1096 C PHE A 141 4.607 -2.601 23.764 1.00 35.97 C -ATOM 1097 O PHE A 141 4.543 -3.831 23.684 1.00 35.80 O -ATOM 1098 N SER A 142 3.904 -1.780 22.986 1.00 34.38 N -ATOM 1099 CA SER A 142 2.929 -2.260 22.005 1.00 35.02 C -ATOM 1100 CB SER A 142 1.778 -1.251 21.914 1.00 37.59 C -ATOM 1101 OG SER A 142 1.193 -1.060 23.191 1.00 44.01 O -ATOM 1102 C SER A 142 3.443 -2.545 20.603 1.00 34.03 C -ATOM 1103 O SER A 142 2.721 -3.121 19.781 1.00 34.52 O -ATOM 1104 N GLY A 143 4.671 -2.135 20.312 1.00 31.57 N -ATOM 1105 CA GLY A 143 5.204 -2.371 18.982 1.00 29.79 C -ATOM 1106 C GLY A 143 5.748 -1.117 18.332 1.00 30.97 C -ATOM 1107 O GLY A 143 6.542 -1.207 17.397 1.00 31.98 O -ATOM 1108 N GLN A 144 5.329 0.052 18.816 1.00 29.41 N -ATOM 1109 CA GLN A 144 5.818 1.315 18.260 1.00 29.96 C -ATOM 1110 CB GLN A 144 4.831 2.453 18.540 1.00 29.36 C -ATOM 1111 CG GLN A 144 3.542 2.370 17.703 1.00 31.75 C -ATOM 1112 CD GLN A 144 3.792 2.648 16.228 1.00 34.44 C -ATOM 1113 OE1 GLN A 144 4.918 2.952 15.818 1.00 36.84 O -ATOM 1114 NE2 GLN A 144 2.746 2.547 15.424 1.00 35.56 N -ATOM 1115 C GLN A 144 7.196 1.639 18.849 1.00 29.84 C -ATOM 1116 O GLN A 144 7.340 2.457 19.761 1.00 25.22 O -ATOM 1117 N ASN A 145 8.195 0.944 18.319 1.00 30.25 N -ATOM 1118 CA ASN A 145 9.582 1.096 18.711 1.00 30.89 C -ATOM 1119 CB ASN A 145 10.105 -0.203 19.337 1.00 33.99 C -ATOM 1120 CG ASN A 145 11.545 -0.087 19.799 1.00 34.43 C -ATOM 1121 OD1 ASN A 145 12.447 0.218 19.009 1.00 36.16 O -ATOM 1122 ND2 ASN A 145 11.769 -0.333 21.077 1.00 32.53 N -ATOM 1123 C ASN A 145 10.299 1.373 17.404 1.00 30.99 C -ATOM 1124 O ASN A 145 10.129 0.642 16.432 1.00 31.43 O -ATOM 1125 N PRO A 146 11.119 2.431 17.366 1.00 30.85 N -ATOM 1126 CA PRO A 146 11.852 2.795 16.152 1.00 29.90 C -ATOM 1127 CB PRO A 146 12.625 4.050 16.582 1.00 30.84 C -ATOM 1128 CG PRO A 146 12.838 3.834 18.061 1.00 26.30 C -ATOM 1129 CD PRO A 146 11.505 3.293 18.503 1.00 27.63 C -ATOM 1130 C PRO A 146 12.753 1.721 15.561 1.00 31.07 C -ATOM 1131 O PRO A 146 13.108 1.788 14.385 1.00 31.06 O -ATOM 1132 N LEU A 147 13.122 0.725 16.361 1.00 33.29 N -ATOM 1133 CA LEU A 147 13.993 -0.340 15.861 1.00 33.43 C -ATOM 1134 CB LEU A 147 14.891 -0.872 16.980 1.00 32.98 C -ATOM 1135 CG LEU A 147 15.789 0.164 17.661 1.00 33.95 C -ATOM 1136 CD1 LEU A 147 16.509 -0.513 18.802 1.00 35.81 C -ATOM 1137 CD2 LEU A 147 16.782 0.775 16.661 1.00 31.46 C -ATOM 1138 C LEU A 147 13.244 -1.507 15.245 1.00 32.68 C -ATOM 1139 O LEU A 147 13.871 -2.432 14.733 1.00 34.36 O -ATOM 1140 N ARG A 148 11.915 -1.485 15.300 1.00 31.45 N -ATOM 1141 CA ARG A 148 11.138 -2.584 14.727 1.00 31.56 C -ATOM 1142 CB ARG A 148 9.628 -2.340 14.855 1.00 31.13 C -ATOM 1143 CG ARG A 148 8.802 -3.462 14.216 1.00 31.97 C -ATOM 1144 CD ARG A 148 7.304 -3.312 14.454 1.00 34.23 C -ATOM 1145 NE ARG A 148 6.597 -4.532 14.078 1.00 35.13 N -ATOM 1146 CZ ARG A 148 5.353 -4.575 13.602 1.00 36.58 C -ATOM 1147 NH1 ARG A 148 4.653 -3.460 13.438 1.00 37.01 N -ATOM 1148 NH2 ARG A 148 4.816 -5.737 13.257 1.00 32.59 N -ATOM 1149 C ARG A 148 11.496 -2.750 13.257 1.00 29.92 C -ATOM 1150 O ARG A 148 11.601 -1.773 12.530 1.00 27.23 O -ATOM 1151 N GLY A 149 11.673 -3.996 12.835 1.00 30.07 N -ATOM 1152 CA GLY A 149 12.038 -4.285 11.462 1.00 31.99 C -ATOM 1153 C GLY A 149 13.433 -4.891 11.446 1.00 33.39 C -ATOM 1154 O GLY A 149 14.077 -4.985 12.492 1.00 33.77 O -ATOM 1155 N PRO A 150 13.936 -5.323 10.283 1.00 35.94 N -ATOM 1156 CA PRO A 150 15.287 -5.901 10.293 1.00 36.81 C -ATOM 1157 CB PRO A 150 15.531 -6.263 8.823 1.00 36.84 C -ATOM 1158 CG PRO A 150 14.589 -5.349 8.064 1.00 39.18 C -ATOM 1159 CD PRO A 150 13.352 -5.334 8.930 1.00 35.07 C -ATOM 1160 C PRO A 150 16.336 -4.942 10.860 1.00 37.69 C -ATOM 1161 O PRO A 150 16.270 -3.728 10.666 1.00 37.54 O -ATOM 1162 N ASN A 151 17.291 -5.498 11.589 1.00 37.56 N -ATOM 1163 CA ASN A 151 18.347 -4.701 12.199 1.00 39.91 C -ATOM 1164 CB ASN A 151 18.800 -5.360 13.499 1.00 38.66 C -ATOM 1165 CG ASN A 151 19.921 -4.609 14.174 1.00 41.13 C -ATOM 1166 OD1 ASN A 151 19.701 -3.566 14.793 1.00 42.62 O -ATOM 1167 ND2 ASN A 151 21.138 -5.131 14.056 1.00 37.91 N -ATOM 1168 C ASN A 151 19.538 -4.579 11.260 1.00 41.22 C -ATOM 1169 O ASN A 151 19.886 -5.527 10.556 1.00 40.30 O -ATOM 1170 N ASP A 152 20.156 -3.405 11.239 1.00 43.12 N -ATOM 1171 CA ASP A 152 21.329 -3.212 10.402 1.00 44.75 C -ATOM 1172 CB ASP A 152 21.247 -1.921 9.587 1.00 45.12 C -ATOM 1173 CG ASP A 152 22.284 -1.882 8.476 1.00 46.44 C -ATOM 1174 OD1 ASP A 152 23.460 -2.197 8.755 1.00 48.29 O -ATOM 1175 OD2 ASP A 152 21.932 -1.547 7.327 1.00 48.16 O -ATOM 1176 C ASP A 152 22.520 -3.142 11.337 1.00 45.02 C -ATOM 1177 O ASP A 152 22.665 -2.193 12.105 1.00 43.68 O -ATOM 1178 N GLU A 153 23.360 -4.167 11.263 1.00 47.36 N -ATOM 1179 CA GLU A 153 24.549 -4.284 12.097 1.00 48.82 C -ATOM 1180 CB GLU A 153 25.357 -5.507 11.654 1.00 53.10 C -ATOM 1181 CG GLU A 153 26.225 -6.133 12.730 1.00 60.24 C -ATOM 1182 CD GLU A 153 25.443 -7.071 13.633 1.00 64.33 C -ATOM 1183 OE1 GLU A 153 24.850 -8.041 13.106 1.00 65.78 O -ATOM 1184 OE2 GLU A 153 25.425 -6.842 14.864 1.00 66.69 O -ATOM 1185 C GLU A 153 25.420 -3.033 12.011 1.00 47.27 C -ATOM 1186 O GLU A 153 26.102 -2.684 12.968 1.00 47.85 O -ATOM 1187 N ARG A 154 25.403 -2.361 10.864 1.00 45.47 N -ATOM 1188 CA ARG A 154 26.208 -1.160 10.697 1.00 43.77 C -ATOM 1189 CB ARG A 154 26.131 -0.656 9.259 1.00 42.66 C -ATOM 1190 CG ARG A 154 27.035 -1.427 8.311 1.00 40.91 C -ATOM 1191 CD ARG A 154 26.736 -1.094 6.859 1.00 40.58 C -ATOM 1192 NE ARG A 154 25.398 -1.532 6.480 1.00 38.30 N -ATOM 1193 CZ ARG A 154 24.991 -1.692 5.226 1.00 38.58 C -ATOM 1194 NH1 ARG A 154 25.826 -1.446 4.222 1.00 37.97 N -ATOM 1195 NH2 ARG A 154 23.755 -2.113 4.975 1.00 35.12 N -ATOM 1196 C ARG A 154 25.813 -0.059 11.658 1.00 44.55 C -ATOM 1197 O ARG A 154 26.613 0.833 11.932 1.00 44.84 O -ATOM 1198 N PHE A 155 24.584 -0.112 12.168 1.00 43.96 N -ATOM 1199 CA PHE A 155 24.130 0.891 13.124 1.00 42.63 C -ATOM 1200 CB PHE A 155 22.667 1.281 12.872 1.00 43.16 C -ATOM 1201 CG PHE A 155 22.476 2.202 11.697 1.00 42.22 C -ATOM 1202 CD1 PHE A 155 23.208 3.380 11.596 1.00 40.26 C -ATOM 1203 CE1 PHE A 155 23.046 4.231 10.508 1.00 41.95 C -ATOM 1204 CZ PHE A 155 22.137 3.906 9.503 1.00 42.13 C -ATOM 1205 CD2 PHE A 155 21.569 1.888 10.690 1.00 40.31 C -ATOM 1206 CE2 PHE A 155 21.399 2.732 9.596 1.00 39.57 C -ATOM 1207 C PHE A 155 24.275 0.384 14.551 1.00 42.62 C -ATOM 1208 O PHE A 155 24.699 1.126 15.440 1.00 43.63 O -ATOM 1209 N GLY A 156 23.939 -0.885 14.772 1.00 39.98 N -ATOM 1210 CA GLY A 156 24.030 -1.427 16.118 1.00 38.53 C -ATOM 1211 C GLY A 156 23.525 -2.849 16.266 1.00 37.11 C -ATOM 1212 O GLY A 156 23.306 -3.552 15.278 1.00 36.35 O -ATOM 1213 N ASP A 157 23.351 -3.290 17.509 1.00 38.66 N -ATOM 1214 CA ASP A 157 22.883 -4.651 17.756 1.00 39.49 C -ATOM 1215 CB ASP A 157 23.298 -5.134 19.142 1.00 41.77 C -ATOM 1216 CG ASP A 157 24.793 -5.009 19.393 1.00 47.39 C -ATOM 1217 OD1 ASP A 157 25.606 -5.247 18.456 1.00 47.83 O -ATOM 1218 OD2 ASP A 157 25.171 -4.665 20.547 1.00 50.55 O -ATOM 1219 C ASP A 157 21.368 -4.811 17.634 1.00 38.86 C -ATOM 1220 O ASP A 157 20.622 -3.838 17.670 1.00 37.29 O -ATOM 1221 N ARG A 158 20.934 -6.061 17.515 1.00 37.88 N -ATOM 1222 CA ARG A 158 19.520 -6.391 17.389 1.00 37.92 C -ATOM 1223 CB ARG A 158 19.368 -7.881 17.050 1.00 37.86 C -ATOM 1224 CG ARG A 158 17.948 -8.456 17.186 1.00 37.25 C -ATOM 1225 CD ARG A 158 17.020 -8.090 16.037 1.00 35.49 C -ATOM 1226 NE ARG A 158 16.681 -6.672 15.991 1.00 33.15 N -ATOM 1227 CZ ARG A 158 15.781 -6.141 15.166 1.00 32.93 C -ATOM 1228 NH1 ARG A 158 15.111 -6.909 14.309 1.00 32.57 N -ATOM 1229 NH2 ARG A 158 15.568 -4.833 15.179 1.00 33.41 N -ATOM 1230 C ARG A 158 18.765 -6.072 18.674 1.00 38.29 C -ATOM 1231 O ARG A 158 17.650 -5.563 18.633 1.00 39.07 O -ATOM 1232 N PHE A 159 19.393 -6.359 19.810 1.00 39.15 N -ATOM 1233 CA PHE A 159 18.788 -6.145 21.120 1.00 38.79 C -ATOM 1234 CB PHE A 159 18.643 -7.494 21.841 1.00 36.08 C -ATOM 1235 CG PHE A 159 17.961 -8.556 21.021 1.00 36.59 C -ATOM 1236 CD1 PHE A 159 16.604 -8.462 20.713 1.00 35.83 C -ATOM 1237 CE1 PHE A 159 15.970 -9.447 19.944 1.00 36.04 C -ATOM 1238 CZ PHE A 159 16.701 -10.541 19.474 1.00 37.68 C -ATOM 1239 CD2 PHE A 159 18.681 -9.652 20.546 1.00 37.37 C -ATOM 1240 CE2 PHE A 159 18.059 -10.645 19.776 1.00 36.47 C -ATOM 1241 C PHE A 159 19.587 -5.192 22.016 1.00 40.11 C -ATOM 1242 O PHE A 159 20.207 -5.622 22.985 1.00 41.82 O -ATOM 1243 N PRO A 160 19.561 -3.881 21.721 1.00 40.73 N -ATOM 1244 CA PRO A 160 20.309 -2.933 22.550 1.00 39.39 C -ATOM 1245 CB PRO A 160 20.317 -1.671 21.697 1.00 39.77 C -ATOM 1246 CG PRO A 160 18.951 -1.729 21.047 1.00 38.38 C -ATOM 1247 CD PRO A 160 18.870 -3.186 20.617 1.00 39.56 C -ATOM 1248 C PRO A 160 19.662 -2.687 23.913 1.00 41.34 C -ATOM 1249 O PRO A 160 18.436 -2.712 24.052 1.00 39.39 O -ATOM 1250 N ALA A 161 20.500 -2.432 24.913 1.00 40.09 N -ATOM 1251 CA ALA A 161 20.027 -2.166 26.260 1.00 38.97 C -ATOM 1252 CB ALA A 161 21.112 -2.513 27.275 1.00 39.94 C -ATOM 1253 C ALA A 161 19.651 -0.699 26.383 1.00 38.96 C -ATOM 1254 O ALA A 161 20.220 0.158 25.709 1.00 39.81 O -ATOM 1255 N MET A 162 18.693 -0.412 27.251 1.00 38.54 N -ATOM 1256 CA MET A 162 18.253 0.958 27.453 1.00 38.70 C -ATOM 1257 CB MET A 162 16.829 1.122 26.916 1.00 38.54 C -ATOM 1258 CG MET A 162 16.731 1.044 25.406 1.00 39.34 C -ATOM 1259 SD MET A 162 17.666 2.364 24.568 1.00 38.89 S -ATOM 1260 CE MET A 162 18.261 1.466 23.151 1.00 34.22 C -ATOM 1261 C MET A 162 18.312 1.379 28.924 1.00 38.63 C -ATOM 1262 O MET A 162 18.072 2.545 29.252 1.00 36.59 O -ATOM 1263 N SER A 163 18.638 0.433 29.804 1.00 38.21 N -ATOM 1264 CA SER A 163 18.715 0.728 31.232 1.00 41.12 C -ATOM 1265 CB SER A 163 19.028 -0.543 32.026 1.00 39.95 C -ATOM 1266 OG SER A 163 20.171 -1.194 31.511 1.00 43.92 O -ATOM 1267 C SER A 163 19.741 1.817 31.548 1.00 41.20 C -ATOM 1268 O SER A 163 19.619 2.511 32.551 1.00 42.07 O -ATOM 1269 N ASP A 164 20.745 1.975 30.692 1.00 42.08 N -ATOM 1270 CA ASP A 164 21.755 3.011 30.906 1.00 46.01 C -ATOM 1271 CB ASP A 164 23.148 2.379 30.959 1.00 48.31 C -ATOM 1272 CG ASP A 164 23.529 1.704 29.659 1.00 52.50 C -ATOM 1273 OD1 ASP A 164 22.619 1.265 28.924 1.00 54.73 O -ATOM 1274 OD2 ASP A 164 24.742 1.597 29.378 1.00 54.79 O -ATOM 1275 C ASP A 164 21.705 4.080 29.802 1.00 46.39 C -ATOM 1276 O ASP A 164 22.721 4.697 29.481 1.00 45.11 O -ATOM 1277 N ALA A 165 20.511 4.309 29.249 1.00 45.41 N -ATOM 1278 CA ALA A 165 20.313 5.277 28.164 1.00 43.81 C -ATOM 1279 CB ALA A 165 18.839 5.296 27.747 1.00 41.64 C -ATOM 1280 C ALA A 165 20.768 6.700 28.475 1.00 42.35 C -ATOM 1281 O ALA A 165 21.432 7.336 27.663 1.00 40.84 O -ATOM 1282 N TYR A 166 20.393 7.208 29.640 1.00 41.35 N -ATOM 1283 CA TYR A 166 20.768 8.564 30.001 1.00 43.29 C -ATOM 1284 CB TYR A 166 19.632 9.208 30.800 1.00 43.11 C -ATOM 1285 CG TYR A 166 18.348 9.227 29.996 1.00 45.06 C -ATOM 1286 CD1 TYR A 166 17.483 8.127 29.992 1.00 44.85 C -ATOM 1287 CE1 TYR A 166 16.361 8.092 29.152 1.00 44.30 C -ATOM 1288 CZ TYR A 166 16.106 9.171 28.312 1.00 45.12 C -ATOM 1289 OH TYR A 166 15.019 9.157 27.472 1.00 42.55 O -ATOM 1290 CE2 TYR A 166 16.950 10.272 28.309 1.00 43.74 C -ATOM 1291 CD2 TYR A 166 18.057 10.296 29.147 1.00 44.23 C -ATOM 1292 C TYR A 166 22.098 8.614 30.751 1.00 44.07 C -ATOM 1293 O TYR A 166 22.172 8.327 31.944 1.00 43.99 O -ATOM 1294 N ASP A 167 23.142 8.967 30.008 1.00 45.97 N -ATOM 1295 CA ASP A 167 24.509 9.061 30.513 1.00 50.15 C -ATOM 1296 CB ASP A 167 25.329 10.004 29.634 1.00 51.67 C -ATOM 1297 CG ASP A 167 26.812 9.916 29.924 1.00 53.02 C -ATOM 1298 OD1 ASP A 167 27.398 8.852 29.633 1.00 52.08 O -ATOM 1299 OD2 ASP A 167 27.384 10.902 30.443 1.00 53.22 O -ATOM 1300 C ASP A 167 24.619 9.516 31.961 1.00 50.40 C -ATOM 1301 O ASP A 167 24.227 10.632 32.310 1.00 48.52 O -ATOM 1302 N ARG A 168 25.164 8.638 32.795 1.00 52.78 N -ATOM 1303 CA ARG A 168 25.336 8.921 34.213 1.00 56.04 C -ATOM 1304 CB ARG A 168 25.897 7.682 34.918 1.00 59.39 C -ATOM 1305 CG ARG A 168 26.076 7.836 36.420 1.00 65.10 C -ATOM 1306 CD ARG A 168 26.824 6.643 37.000 1.00 69.53 C -ATOM 1307 NE ARG A 168 28.127 6.474 36.359 1.00 73.82 N -ATOM 1308 CZ ARG A 168 28.987 5.499 36.643 1.00 75.86 C -ATOM 1309 NH1 ARG A 168 28.690 4.589 37.566 1.00 76.23 N -ATOM 1310 NH2 ARG A 168 30.145 5.429 35.996 1.00 76.27 N -ATOM 1311 C ARG A 168 26.277 10.109 34.423 1.00 55.29 C -ATOM 1312 O ARG A 168 25.975 11.019 35.193 1.00 56.00 O -ATOM 1313 N THR A 169 27.410 10.098 33.728 1.00 54.50 N -ATOM 1314 CA THR A 169 28.393 11.168 33.856 1.00 56.48 C -ATOM 1315 CB THR A 169 29.605 10.941 32.922 1.00 57.04 C -ATOM 1316 OG1 THR A 169 30.300 9.751 33.314 1.00 57.97 O -ATOM 1317 CG2 THR A 169 30.562 12.126 32.988 1.00 56.52 C -ATOM 1318 C THR A 169 27.803 12.539 33.549 1.00 56.99 C -ATOM 1319 O THR A 169 27.986 13.488 34.317 1.00 56.72 O -ATOM 1320 N MET A 170 27.103 12.644 32.424 1.00 56.77 N -ATOM 1321 CA MET A 170 26.507 13.911 32.032 1.00 57.18 C -ATOM 1322 CB MET A 170 25.905 13.801 30.631 1.00 59.04 C -ATOM 1323 CG MET A 170 26.947 13.782 29.529 1.00 60.28 C -ATOM 1324 SD MET A 170 28.119 15.159 29.713 1.00 64.75 S -ATOM 1325 CE MET A 170 27.089 16.559 29.314 1.00 60.46 C -ATOM 1326 C MET A 170 25.457 14.391 33.018 1.00 57.12 C -ATOM 1327 O MET A 170 25.321 15.589 33.253 1.00 55.67 O -ATOM 1328 N ARG A 171 24.708 13.462 33.598 1.00 58.12 N -ATOM 1329 CA ARG A 171 23.693 13.854 34.561 1.00 60.42 C -ATOM 1330 CB ARG A 171 22.796 12.656 34.911 1.00 60.56 C -ATOM 1331 CG ARG A 171 21.903 12.250 33.728 1.00 62.70 C -ATOM 1332 CD ARG A 171 20.772 11.291 34.093 1.00 61.04 C -ATOM 1333 NE ARG A 171 21.228 9.915 34.276 1.00 61.65 N -ATOM 1334 CZ ARG A 171 21.554 9.385 35.449 1.00 62.58 C -ATOM 1335 NH1 ARG A 171 21.471 10.116 36.555 1.00 64.16 N -ATOM 1336 NH2 ARG A 171 21.962 8.127 35.516 1.00 62.81 N -ATOM 1337 C ARG A 171 24.375 14.434 35.797 1.00 60.72 C -ATOM 1338 O ARG A 171 23.906 15.419 36.376 1.00 59.64 O -ATOM 1339 N GLN A 172 25.497 13.838 36.189 1.00 61.86 N -ATOM 1340 CA GLN A 172 26.235 14.339 37.345 1.00 64.94 C -ATOM 1341 CB GLN A 172 27.406 13.409 37.687 1.00 66.80 C -ATOM 1342 CG GLN A 172 26.972 12.009 38.095 1.00 72.17 C -ATOM 1343 CD GLN A 172 28.134 11.125 38.521 1.00 75.34 C -ATOM 1344 OE1 GLN A 172 29.084 10.909 37.760 1.00 76.11 O -ATOM 1345 NE2 GLN A 172 28.059 10.601 39.742 1.00 76.68 N -ATOM 1346 C GLN A 172 26.756 15.740 37.023 1.00 63.45 C -ATOM 1347 O GLN A 172 26.499 16.691 37.762 1.00 63.10 O -ATOM 1348 N ARG A 173 27.470 15.866 35.908 1.00 62.01 N -ATOM 1349 CA ARG A 173 28.009 17.155 35.508 1.00 61.80 C -ATOM 1350 CB ARG A 173 28.847 17.010 34.239 1.00 60.55 C -ATOM 1351 CG ARG A 173 30.124 16.229 34.472 1.00 60.07 C -ATOM 1352 CD ARG A 173 30.950 16.075 33.207 1.00 60.98 C -ATOM 1353 NE ARG A 173 32.099 15.200 33.433 1.00 60.98 N -ATOM 1354 CZ ARG A 173 32.921 14.776 32.477 1.00 61.50 C -ATOM 1355 NH1 ARG A 173 32.727 15.146 31.218 1.00 62.15 N -ATOM 1356 NH2 ARG A 173 33.930 13.969 32.777 1.00 60.37 N -ATOM 1357 C ARG A 173 26.898 18.171 35.300 1.00 62.12 C -ATOM 1358 O ARG A 173 27.112 19.372 35.450 1.00 63.14 O -ATOM 1359 N ALA A 174 25.707 17.688 34.966 1.00 62.16 N -ATOM 1360 CA ALA A 174 24.572 18.577 34.762 1.00 62.62 C -ATOM 1361 CB ALA A 174 23.422 17.827 34.090 1.00 62.96 C -ATOM 1362 C ALA A 174 24.131 19.110 36.116 1.00 62.67 C -ATOM 1363 O ALA A 174 23.879 20.305 36.275 1.00 62.60 O -ATOM 1364 N LEU A 175 24.034 18.211 37.090 1.00 63.45 N -ATOM 1365 CA LEU A 175 23.634 18.589 38.440 1.00 64.63 C -ATOM 1366 CB LEU A 175 23.502 17.341 39.326 1.00 63.59 C -ATOM 1367 CG LEU A 175 22.336 16.391 39.008 1.00 63.22 C -ATOM 1368 CD1 LEU A 175 22.534 15.065 39.720 1.00 62.05 C -ATOM 1369 CD2 LEU A 175 21.018 17.034 39.420 1.00 60.34 C -ATOM 1370 C LEU A 175 24.678 19.543 39.016 1.00 65.46 C -ATOM 1371 O LEU A 175 24.339 20.497 39.719 1.00 65.25 O -ATOM 1372 N SER A 176 25.947 19.283 38.704 1.00 65.92 N -ATOM 1373 CA SER A 176 27.043 20.126 39.177 1.00 67.18 C -ATOM 1374 CB SER A 176 28.394 19.548 38.754 1.00 66.59 C -ATOM 1375 OG SER A 176 28.652 18.324 39.415 1.00 67.16 O -ATOM 1376 C SER A 176 26.895 21.520 38.593 1.00 67.70 C -ATOM 1377 O SER A 176 26.752 22.499 39.323 1.00 68.43 O -ATOM 1378 N THR A 177 26.928 21.592 37.266 1.00 68.24 N -ATOM 1379 CA THR A 177 26.797 22.851 36.544 1.00 68.47 C -ATOM 1380 CB THR A 177 26.528 22.596 35.045 1.00 68.50 C -ATOM 1381 OG1 THR A 177 27.622 21.858 34.481 1.00 68.47 O -ATOM 1382 CG2 THR A 177 26.368 23.912 34.297 1.00 68.22 C -ATOM 1383 C THR A 177 25.671 23.712 37.103 1.00 68.98 C -ATOM 1384 O THR A 177 25.871 24.891 37.395 1.00 70.16 O -ATOM 1385 N TRP A 178 24.490 23.120 37.255 1.00 69.60 N -ATOM 1386 CA TRP A 178 23.332 23.840 37.774 1.00 69.38 C -ATOM 1387 CB TRP A 178 22.129 22.893 37.868 1.00 65.63 C -ATOM 1388 CG TRP A 178 20.867 23.549 38.345 1.00 61.58 C -ATOM 1389 CD1 TRP A 178 20.371 23.548 39.615 1.00 60.79 C -ATOM 1390 NE1 TRP A 178 19.209 24.283 39.674 1.00 60.44 N -ATOM 1391 CE2 TRP A 178 18.933 24.776 38.427 1.00 59.60 C -ATOM 1392 CD2 TRP A 178 19.958 24.332 37.561 1.00 60.20 C -ATOM 1393 CE3 TRP A 178 19.911 24.704 36.210 1.00 60.93 C -ATOM 1394 CZ3 TRP A 178 18.852 25.501 35.771 1.00 59.66 C -ATOM 1395 CH2 TRP A 178 17.848 25.928 36.662 1.00 59.87 C -ATOM 1396 CZ2 TRP A 178 17.871 25.576 37.987 1.00 59.15 C -ATOM 1397 C TRP A 178 23.646 24.443 39.143 1.00 71.62 C -ATOM 1398 O TRP A 178 23.210 25.553 39.464 1.00 71.37 O -ATOM 1399 N LYS A 179 24.414 23.706 39.939 1.00 73.66 N -ATOM 1400 CA LYS A 179 24.801 24.153 41.273 1.00 75.13 C -ATOM 1401 CB LYS A 179 25.354 22.970 42.077 1.00 75.98 C -ATOM 1402 CG LYS A 179 25.622 23.262 43.548 1.00 77.16 C -ATOM 1403 CD LYS A 179 24.563 22.651 44.471 1.00 78.73 C -ATOM 1404 CE LYS A 179 23.213 23.365 44.394 1.00 79.18 C -ATOM 1405 NZ LYS A 179 22.488 23.136 43.111 1.00 79.73 N -ATOM 1406 C LYS A 179 25.859 25.251 41.163 1.00 75.47 C -ATOM 1407 O LYS A 179 25.771 26.277 41.838 1.00 75.20 O -ATOM 1408 N GLN A 180 26.849 25.029 40.301 1.00 76.39 N -ATOM 1409 CA GLN A 180 27.934 25.987 40.087 1.00 77.14 C -ATOM 1410 CB GLN A 180 28.886 25.482 38.993 1.00 76.05 C -ATOM 1411 CG GLN A 180 28.718 26.197 37.647 1.00 75.93 C -ATOM 1412 CD GLN A 180 29.710 25.741 36.590 1.00 76.78 C -ATOM 1413 OE1 GLN A 180 29.899 26.412 35.568 1.00 75.06 O -ATOM 1414 NE2 GLN A 180 30.342 24.592 36.824 1.00 77.03 N -ATOM 1415 C GLN A 180 27.372 27.348 39.673 1.00 78.27 C -ATOM 1416 O GLN A 180 28.024 28.382 39.840 1.00 78.83 O -ATOM 1417 N MET A 181 26.164 27.331 39.122 1.00 78.92 N -ATOM 1418 CA MET A 181 25.500 28.545 38.671 1.00 80.43 C -ATOM 1419 CB MET A 181 24.520 28.210 37.545 1.00 81.79 C -ATOM 1420 CG MET A 181 25.165 27.643 36.291 1.00 83.78 C -ATOM 1421 SD MET A 181 23.953 26.852 35.195 1.00 87.07 S -ATOM 1422 CE MET A 181 23.033 28.285 34.587 1.00 84.61 C -ATOM 1423 C MET A 181 24.742 29.223 39.810 1.00 80.70 C -ATOM 1424 O MET A 181 24.481 30.426 39.759 1.00 81.20 O -ATOM 1425 N GLY A 182 24.390 28.449 40.833 1.00 80.48 N -ATOM 1426 CA GLY A 182 23.647 29.001 41.952 1.00 80.79 C -ATOM 1427 C GLY A 182 22.300 29.498 41.462 1.00 81.25 C -ATOM 1428 O GLY A 182 22.143 30.681 41.159 1.00 81.34 O -ATOM 1429 N GLU A 183 21.324 28.594 41.390 1.00 81.32 N -ATOM 1430 CA GLU A 183 19.987 28.931 40.903 1.00 80.65 C -ATOM 1431 CB GLU A 183 19.604 27.969 39.778 1.00 80.08 C -ATOM 1432 CG GLU A 183 20.568 27.983 38.603 1.00 78.85 C -ATOM 1433 CD GLU A 183 20.339 29.161 37.676 1.00 78.77 C -ATOM 1434 OE1 GLU A 183 19.278 29.812 37.792 1.00 78.93 O -ATOM 1435 OE2 GLU A 183 21.214 29.427 36.823 1.00 77.62 O -ATOM 1436 C GLU A 183 18.898 28.911 41.975 1.00 81.43 C -ATOM 1437 O GLU A 183 18.996 28.189 42.970 1.00 81.12 O -ATOM 1438 N GLN A 184 17.854 29.705 41.751 1.00 81.79 N -ATOM 1439 CA GLN A 184 16.729 29.797 42.677 1.00 82.89 C -ATOM 1440 CB GLN A 184 15.615 30.651 42.061 1.00 84.98 C -ATOM 1441 CG GLN A 184 16.068 32.018 41.562 1.00 87.39 C -ATOM 1442 CD GLN A 184 14.957 32.773 40.851 1.00 89.12 C -ATOM 1443 OE1 GLN A 184 14.398 32.290 39.863 1.00 89.63 O -ATOM 1444 NE2 GLN A 184 14.633 33.965 41.350 1.00 88.53 N -ATOM 1445 C GLN A 184 16.181 28.407 42.995 1.00 82.54 C -ATOM 1446 O GLN A 184 16.375 27.888 44.098 1.00 82.65 O -ATOM 1447 N ARG A 185 15.496 27.817 42.016 1.00 81.77 N -ATOM 1448 CA ARG A 185 14.904 26.485 42.144 1.00 79.85 C -ATOM 1449 CB ARG A 185 13.815 26.293 41.082 1.00 81.04 C -ATOM 1450 CG ARG A 185 12.600 27.199 41.224 1.00 82.06 C -ATOM 1451 CD ARG A 185 11.657 26.685 42.300 1.00 83.56 C -ATOM 1452 NE ARG A 185 11.164 25.344 41.990 1.00 84.86 N -ATOM 1453 CZ ARG A 185 10.313 24.663 42.753 1.00 86.01 C -ATOM 1454 NH1 ARG A 185 9.854 25.197 43.878 1.00 85.97 N -ATOM 1455 NH2 ARG A 185 9.917 23.447 42.391 1.00 85.46 N -ATOM 1456 C ARG A 185 15.967 25.405 41.958 1.00 78.24 C -ATOM 1457 O ARG A 185 16.965 25.619 41.267 1.00 78.20 O -ATOM 1458 N GLU A 186 15.754 24.247 42.576 1.00 76.48 N -ATOM 1459 CA GLU A 186 16.695 23.138 42.443 1.00 74.37 C -ATOM 1460 CB GLU A 186 16.500 22.106 43.560 1.00 76.73 C -ATOM 1461 CG GLU A 186 16.635 22.653 44.977 1.00 80.61 C -ATOM 1462 CD GLU A 186 15.401 23.416 45.444 1.00 83.63 C -ATOM 1463 OE1 GLU A 186 14.388 23.440 44.706 1.00 84.30 O -ATOM 1464 OE2 GLU A 186 15.445 23.988 46.558 1.00 84.51 O -ATOM 1465 C GLU A 186 16.424 22.474 41.099 1.00 71.64 C -ATOM 1466 O GLU A 186 15.340 22.621 40.535 1.00 71.06 O -ATOM 1467 N LEU A 187 17.410 21.751 40.583 1.00 68.28 N -ATOM 1468 CA LEU A 187 17.244 21.063 39.315 1.00 65.11 C -ATOM 1469 CB LEU A 187 18.606 20.754 38.697 1.00 63.91 C -ATOM 1470 CG LEU A 187 18.558 20.122 37.308 1.00 63.80 C -ATOM 1471 CD1 LEU A 187 17.935 21.113 36.338 1.00 65.19 C -ATOM 1472 CD2 LEU A 187 19.956 19.740 36.853 1.00 63.51 C -ATOM 1473 C LEU A 187 16.497 19.758 39.578 1.00 63.69 C -ATOM 1474 O LEU A 187 16.988 18.892 40.300 1.00 63.51 O -ATOM 1475 N GLN A 188 15.309 19.617 39.003 1.00 61.83 N -ATOM 1476 CA GLN A 188 14.529 18.402 39.197 1.00 59.97 C -ATOM 1477 CB GLN A 188 13.072 18.632 38.791 1.00 61.01 C -ATOM 1478 CG GLN A 188 12.370 19.772 39.519 1.00 63.87 C -ATOM 1479 CD GLN A 188 12.105 19.479 40.991 1.00 65.06 C -ATOM 1480 OE1 GLN A 188 11.329 20.181 41.642 1.00 65.84 O -ATOM 1481 NE2 GLN A 188 12.751 18.447 41.521 1.00 64.55 N -ATOM 1482 C GLN A 188 15.117 17.267 38.363 1.00 58.36 C -ATOM 1483 O GLN A 188 15.813 17.505 37.375 1.00 57.05 O -ATOM 1484 N GLU A 189 14.832 16.034 38.770 1.00 57.08 N -ATOM 1485 CA GLU A 189 15.316 14.849 38.069 1.00 55.67 C -ATOM 1486 CB GLU A 189 16.626 14.373 38.699 1.00 56.73 C -ATOM 1487 CG GLU A 189 17.209 13.125 38.076 1.00 60.15 C -ATOM 1488 CD GLU A 189 18.613 12.829 38.576 1.00 63.34 C -ATOM 1489 OE1 GLU A 189 18.812 12.771 39.809 1.00 65.39 O -ATOM 1490 OE2 GLU A 189 19.520 12.649 37.733 1.00 65.12 O -ATOM 1491 C GLU A 189 14.252 13.760 38.171 1.00 54.22 C -ATOM 1492 O GLU A 189 13.596 13.622 39.206 1.00 54.03 O -ATOM 1493 N GLY A 190 14.070 12.992 37.101 1.00 51.38 N -ATOM 1494 CA GLY A 190 13.062 11.949 37.140 1.00 48.15 C -ATOM 1495 C GLY A 190 12.811 11.164 35.864 1.00 46.14 C -ATOM 1496 O GLY A 190 13.575 11.228 34.900 1.00 44.89 O -ATOM 1497 N THR A 191 11.711 10.419 35.874 1.00 44.32 N -ATOM 1498 CA THR A 191 11.318 9.576 34.752 1.00 42.07 C -ATOM 1499 CB THR A 191 10.686 8.261 35.259 1.00 42.15 C -ATOM 1500 OG1 THR A 191 11.673 7.500 35.969 1.00 43.11 O -ATOM 1501 CG2 THR A 191 10.153 7.436 34.094 1.00 39.44 C -ATOM 1502 C THR A 191 10.335 10.236 33.795 1.00 38.99 C -ATOM 1503 O THR A 191 9.315 10.772 34.212 1.00 39.67 O -ATOM 1504 N TYR A 192 10.655 10.174 32.508 1.00 37.97 N -ATOM 1505 CA TYR A 192 9.807 10.735 31.460 1.00 37.45 C -ATOM 1506 CB TYR A 192 10.674 11.402 30.388 1.00 36.32 C -ATOM 1507 CG TYR A 192 9.904 11.925 29.186 1.00 38.44 C -ATOM 1508 CD1 TYR A 192 9.634 11.099 28.090 1.00 36.66 C -ATOM 1509 CE1 TYR A 192 8.951 11.581 26.973 1.00 35.58 C -ATOM 1510 CZ TYR A 192 8.531 12.901 26.943 1.00 37.29 C -ATOM 1511 OH TYR A 192 7.889 13.387 25.833 1.00 36.60 O -ATOM 1512 CE2 TYR A 192 8.780 13.744 28.022 1.00 39.25 C -ATOM 1513 CD2 TYR A 192 9.463 13.253 29.135 1.00 38.83 C -ATOM 1514 C TYR A 192 8.998 9.612 30.805 1.00 36.43 C -ATOM 1515 O TYR A 192 9.565 8.622 30.338 1.00 35.02 O -ATOM 1516 N VAL A 193 7.680 9.758 30.774 1.00 35.91 N -ATOM 1517 CA VAL A 193 6.849 8.753 30.126 1.00 36.13 C -ATOM 1518 CB VAL A 193 5.627 8.319 30.984 1.00 37.26 C -ATOM 1519 CG1 VAL A 193 4.696 9.501 31.244 1.00 36.36 C -ATOM 1520 CG2 VAL A 193 4.867 7.209 30.262 1.00 35.98 C -ATOM 1521 C VAL A 193 6.322 9.326 28.822 1.00 37.19 C -ATOM 1522 O VAL A 193 5.801 10.447 28.781 1.00 37.14 O -ATOM 1523 N MET A 194 6.485 8.564 27.749 1.00 36.50 N -ATOM 1524 CA MET A 194 5.982 8.994 26.458 1.00 35.75 C -ATOM 1525 CB MET A 194 6.942 8.608 25.334 1.00 36.80 C -ATOM 1526 CG MET A 194 6.292 8.775 23.970 1.00 35.87 C -ATOM 1527 SD MET A 194 7.243 8.168 22.585 1.00 41.43 S -ATOM 1528 CE MET A 194 6.523 9.152 21.257 1.00 37.98 C -ATOM 1529 C MET A 194 4.619 8.376 26.139 1.00 33.57 C -ATOM 1530 O MET A 194 4.419 7.172 26.328 1.00 32.49 O -ATOM 1531 N VAL A 195 3.690 9.218 25.693 1.00 31.14 N -ATOM 1532 CA VAL A 195 2.366 8.778 25.252 1.00 30.19 C -ATOM 1533 CB VAL A 195 1.197 9.308 26.129 1.00 29.92 C -ATOM 1534 CG1 VAL A 195 1.311 8.742 27.540 1.00 28.66 C -ATOM 1535 CG2 VAL A 195 1.174 10.838 26.129 1.00 27.07 C -ATOM 1536 C VAL A 195 2.272 9.384 23.861 1.00 31.76 C -ATOM 1537 O VAL A 195 2.877 10.428 23.592 1.00 30.98 O -ATOM 1538 N ALA A 196 1.527 8.738 22.975 1.00 31.09 N -ATOM 1539 CA ALA A 196 1.417 9.211 21.606 1.00 31.52 C -ATOM 1540 CB ALA A 196 0.766 8.135 20.759 1.00 30.83 C -ATOM 1541 C ALA A 196 0.689 10.546 21.406 1.00 32.46 C -ATOM 1542 O ALA A 196 1.057 11.326 20.529 1.00 33.27 O -ATOM 1543 N GLY A 197 -0.328 10.818 22.214 1.00 32.62 N -ATOM 1544 CA GLY A 197 -1.071 12.051 22.030 1.00 33.35 C -ATOM 1545 C GLY A 197 -1.901 11.889 20.764 1.00 33.47 C -ATOM 1546 O GLY A 197 -2.128 10.762 20.347 1.00 33.75 O -ATOM 1547 N PRO A 198 -2.311 12.976 20.088 1.00 35.36 N -ATOM 1548 CA PRO A 198 -2.063 14.385 20.408 1.00 35.78 C -ATOM 1549 CB PRO A 198 -2.226 15.064 19.056 1.00 34.22 C -ATOM 1550 CG PRO A 198 -3.415 14.330 18.500 1.00 33.26 C -ATOM 1551 CD PRO A 198 -3.085 12.863 18.836 1.00 35.37 C -ATOM 1552 C PRO A 198 -2.994 14.988 21.453 1.00 37.41 C -ATOM 1553 O PRO A 198 -2.738 16.094 21.936 1.00 39.98 O -ATOM 1554 N SER A 199 -4.081 14.297 21.789 1.00 37.03 N -ATOM 1555 CA SER A 199 -4.998 14.841 22.787 1.00 36.56 C -ATOM 1556 CB SER A 199 -6.354 14.127 22.732 1.00 36.23 C -ATOM 1557 OG SER A 199 -6.236 12.719 22.868 1.00 37.02 O -ATOM 1558 C SER A 199 -4.369 14.718 24.174 1.00 38.27 C -ATOM 1559 O SER A 199 -3.573 13.814 24.420 1.00 38.07 O -ATOM 1560 N PHE A 200 -4.703 15.643 25.072 1.00 39.44 N -ATOM 1561 CA PHE A 200 -4.145 15.617 26.417 1.00 39.56 C -ATOM 1562 CB PHE A 200 -4.274 16.992 27.080 1.00 43.01 C -ATOM 1563 CG PHE A 200 -3.313 18.015 26.545 1.00 46.00 C -ATOM 1564 CD1 PHE A 200 -1.939 17.818 26.645 1.00 47.34 C -ATOM 1565 CE1 PHE A 200 -1.034 18.771 26.162 1.00 47.52 C -ATOM 1566 CZ PHE A 200 -1.508 19.938 25.571 1.00 50.31 C -ATOM 1567 CD2 PHE A 200 -3.780 19.186 25.952 1.00 49.77 C -ATOM 1568 CE2 PHE A 200 -2.887 20.151 25.463 1.00 51.13 C -ATOM 1569 C PHE A 200 -4.802 14.554 27.285 1.00 39.69 C -ATOM 1570 O PHE A 200 -5.917 14.106 27.008 1.00 39.59 O -ATOM 1571 N GLU A 201 -4.105 14.173 28.348 1.00 39.09 N -ATOM 1572 CA GLU A 201 -4.562 13.136 29.266 1.00 41.56 C -ATOM 1573 CB GLU A 201 -3.439 12.770 30.248 1.00 43.29 C -ATOM 1574 CG GLU A 201 -2.110 12.336 29.636 1.00 44.39 C -ATOM 1575 CD GLU A 201 -1.420 13.436 28.843 1.00 46.44 C -ATOM 1576 OE1 GLU A 201 -1.484 14.613 29.258 1.00 47.43 O -ATOM 1577 OE2 GLU A 201 -0.796 13.121 27.807 1.00 47.85 O -ATOM 1578 C GLU A 201 -5.801 13.478 30.089 1.00 42.29 C -ATOM 1579 O GLU A 201 -6.052 14.642 30.405 1.00 42.49 O -ATOM 1580 N THR A 202 -6.565 12.445 30.442 1.00 41.33 N -ATOM 1581 CA THR A 202 -7.744 12.610 31.280 1.00 40.23 C -ATOM 1582 CB THR A 202 -8.788 11.508 31.038 1.00 39.85 C -ATOM 1583 OG1 THR A 202 -8.222 10.235 31.373 1.00 40.10 O -ATOM 1584 CG2 THR A 202 -9.241 11.505 29.594 1.00 39.32 C -ATOM 1585 C THR A 202 -7.233 12.462 32.713 1.00 41.80 C -ATOM 1586 O THR A 202 -6.062 12.130 32.929 1.00 40.75 O -ATOM 1587 N VAL A 203 -8.096 12.701 33.696 1.00 40.81 N -ATOM 1588 CA VAL A 203 -7.663 12.567 35.078 1.00 40.53 C -ATOM 1589 CB VAL A 203 -8.765 13.002 36.068 1.00 41.12 C -ATOM 1590 CG1 VAL A 203 -8.396 12.578 37.481 1.00 40.45 C -ATOM 1591 CG2 VAL A 203 -8.940 14.517 36.012 1.00 41.17 C -ATOM 1592 C VAL A 203 -7.274 11.119 35.363 1.00 39.99 C -ATOM 1593 O VAL A 203 -6.226 10.856 35.952 1.00 40.37 O -ATOM 1594 N ALA A 204 -8.116 10.184 34.931 1.00 38.32 N -ATOM 1595 CA ALA A 204 -7.846 8.773 35.152 1.00 37.30 C -ATOM 1596 CB ALA A 204 -8.973 7.924 34.577 1.00 34.50 C -ATOM 1597 C ALA A 204 -6.509 8.377 34.534 1.00 37.05 C -ATOM 1598 O ALA A 204 -5.757 7.603 35.122 1.00 38.12 O -ATOM 1599 N GLU A 205 -6.206 8.918 33.358 1.00 35.85 N -ATOM 1600 CA GLU A 205 -4.942 8.604 32.691 1.00 37.23 C -ATOM 1601 CB GLU A 205 -4.973 9.091 31.227 1.00 34.96 C -ATOM 1602 CG GLU A 205 -5.938 8.286 30.342 1.00 34.59 C -ATOM 1603 CD GLU A 205 -6.279 8.970 29.022 1.00 36.77 C -ATOM 1604 OE1 GLU A 205 -5.885 10.142 28.824 1.00 38.27 O -ATOM 1605 OE2 GLU A 205 -6.956 8.337 28.177 1.00 34.33 O -ATOM 1606 C GLU A 205 -3.758 9.215 33.459 1.00 38.90 C -ATOM 1607 O GLU A 205 -2.707 8.579 33.592 1.00 37.13 O -ATOM 1608 N CYS A 206 -3.931 10.436 33.969 1.00 41.18 N -ATOM 1609 CA CYS A 206 -2.877 11.089 34.744 1.00 43.73 C -ATOM 1610 CB CYS A 206 -3.346 12.446 35.281 1.00 47.00 C -ATOM 1611 SG CYS A 206 -2.222 13.204 36.520 1.00 54.49 S -ATOM 1612 C CYS A 206 -2.518 10.189 35.916 1.00 43.20 C -ATOM 1613 O CYS A 206 -1.343 9.959 36.202 1.00 43.97 O -ATOM 1614 N ARG A 207 -3.542 9.677 36.588 1.00 43.41 N -ATOM 1615 CA ARG A 207 -3.335 8.795 37.727 1.00 44.87 C -ATOM 1616 CB ARG A 207 -4.669 8.513 38.425 1.00 47.54 C -ATOM 1617 CG ARG A 207 -5.161 9.708 39.225 1.00 53.00 C -ATOM 1618 CD ARG A 207 -6.511 9.460 39.852 1.00 59.21 C -ATOM 1619 NE ARG A 207 -6.988 10.653 40.544 1.00 63.97 N -ATOM 1620 CZ ARG A 207 -8.185 10.767 41.110 1.00 65.51 C -ATOM 1621 NH1 ARG A 207 -9.044 9.754 41.073 1.00 65.27 N -ATOM 1622 NH2 ARG A 207 -8.523 11.900 41.713 1.00 67.10 N -ATOM 1623 C ARG A 207 -2.645 7.499 37.329 1.00 43.82 C -ATOM 1624 O ARG A 207 -1.874 6.942 38.110 1.00 44.43 O -ATOM 1625 N VAL A 208 -2.918 7.014 36.120 1.00 42.86 N -ATOM 1626 CA VAL A 208 -2.259 5.802 35.649 1.00 41.47 C -ATOM 1627 CB VAL A 208 -2.772 5.355 34.262 1.00 41.40 C -ATOM 1628 CG1 VAL A 208 -1.837 4.288 33.692 1.00 37.92 C -ATOM 1629 CG2 VAL A 208 -4.197 4.809 34.369 1.00 41.56 C -ATOM 1630 C VAL A 208 -0.771 6.109 35.510 1.00 40.59 C -ATOM 1631 O VAL A 208 0.078 5.394 36.037 1.00 39.09 O -ATOM 1632 N LEU A 209 -0.468 7.190 34.798 1.00 40.44 N -ATOM 1633 CA LEU A 209 0.912 7.586 34.569 1.00 40.58 C -ATOM 1634 CB LEU A 209 0.947 8.846 33.699 1.00 38.43 C -ATOM 1635 CG LEU A 209 0.282 8.666 32.324 1.00 37.98 C -ATOM 1636 CD1 LEU A 209 0.418 9.945 31.509 1.00 35.55 C -ATOM 1637 CD2 LEU A 209 0.931 7.494 31.583 1.00 37.13 C -ATOM 1638 C LEU A 209 1.676 7.795 35.877 1.00 42.51 C -ATOM 1639 O LEU A 209 2.864 7.475 35.956 1.00 42.77 O -ATOM 1640 N GLN A 210 0.995 8.320 36.896 1.00 43.33 N -ATOM 1641 CA GLN A 210 1.613 8.550 38.203 1.00 46.25 C -ATOM 1642 CB GLN A 210 0.722 9.436 39.081 1.00 48.89 C -ATOM 1643 CG GLN A 210 0.639 10.883 38.622 1.00 54.83 C -ATOM 1644 CD GLN A 210 -0.282 11.731 39.488 1.00 59.12 C -ATOM 1645 OE1 GLN A 210 -1.486 11.471 39.585 1.00 60.38 O -ATOM 1646 NE2 GLN A 210 0.283 12.754 40.121 1.00 60.79 N -ATOM 1647 C GLN A 210 1.868 7.225 38.913 1.00 46.52 C -ATOM 1648 O GLN A 210 2.929 7.026 39.502 1.00 46.98 O -ATOM 1649 N LYS A 211 0.891 6.323 38.856 1.00 47.39 N -ATOM 1650 CA LYS A 211 1.016 5.006 39.479 1.00 48.02 C -ATOM 1651 CB LYS A 211 -0.286 4.211 39.332 1.00 51.57 C -ATOM 1652 CG LYS A 211 -1.431 4.655 40.225 1.00 57.32 C -ATOM 1653 CD LYS A 211 -2.715 3.909 39.858 1.00 61.50 C -ATOM 1654 CE LYS A 211 -3.790 4.061 40.932 1.00 64.23 C -ATOM 1655 NZ LYS A 211 -4.115 5.488 41.214 1.00 67.34 N -ATOM 1656 C LYS A 211 2.151 4.197 38.853 1.00 47.34 C -ATOM 1657 O LYS A 211 2.699 3.298 39.486 1.00 47.27 O -ATOM 1658 N LEU A 212 2.493 4.503 37.605 1.00 46.74 N -ATOM 1659 CA LEU A 212 3.562 3.777 36.928 1.00 46.26 C -ATOM 1660 CB LEU A 212 3.417 3.883 35.409 1.00 45.00 C -ATOM 1661 CG LEU A 212 2.172 3.260 34.771 1.00 46.78 C -ATOM 1662 CD1 LEU A 212 2.318 3.342 33.263 1.00 45.71 C -ATOM 1663 CD2 LEU A 212 1.997 1.808 35.206 1.00 46.28 C -ATOM 1664 C LEU A 212 4.928 4.299 37.345 1.00 46.30 C -ATOM 1665 O LEU A 212 5.952 3.689 37.049 1.00 46.68 O -ATOM 1666 N GLY A 213 4.939 5.436 38.030 1.00 46.55 N -ATOM 1667 CA GLY A 213 6.195 6.000 38.479 1.00 46.42 C -ATOM 1668 C GLY A 213 6.787 7.052 37.562 1.00 45.95 C -ATOM 1669 O GLY A 213 7.979 7.337 37.649 1.00 47.06 O -ATOM 1670 N ALA A 214 5.974 7.631 36.686 1.00 44.55 N -ATOM 1671 CA ALA A 214 6.466 8.665 35.781 1.00 45.15 C -ATOM 1672 CB ALA A 214 5.627 8.707 34.507 1.00 44.60 C -ATOM 1673 C ALA A 214 6.420 10.017 36.483 1.00 44.18 C -ATOM 1674 O ALA A 214 5.546 10.265 37.303 1.00 44.70 O -ATOM 1675 N ASP A 215 7.357 10.892 36.147 1.00 44.16 N -ATOM 1676 CA ASP A 215 7.428 12.210 36.766 1.00 44.49 C -ATOM 1677 CB ASP A 215 8.857 12.466 37.248 1.00 44.96 C -ATOM 1678 CG ASP A 215 9.292 11.474 38.320 1.00 46.73 C -ATOM 1679 OD1 ASP A 215 8.695 11.496 39.421 1.00 46.35 O -ATOM 1680 OD2 ASP A 215 10.219 10.671 38.059 1.00 45.31 O -ATOM 1681 C ASP A 215 6.982 13.309 35.812 1.00 45.12 C -ATOM 1682 O ASP A 215 6.477 14.350 36.238 1.00 45.24 O -ATOM 1683 N ALA A 216 7.180 13.069 34.520 1.00 43.16 N -ATOM 1684 CA ALA A 216 6.785 14.014 33.486 1.00 42.14 C -ATOM 1685 CB ALA A 216 7.979 14.881 33.071 1.00 39.40 C -ATOM 1686 C ALA A 216 6.248 13.232 32.282 1.00 40.14 C -ATOM 1687 O ALA A 216 6.679 12.106 32.013 1.00 38.55 O -ATOM 1688 N VAL A 217 5.305 13.835 31.565 1.00 39.94 N -ATOM 1689 CA VAL A 217 4.710 13.194 30.398 1.00 40.10 C -ATOM 1690 CB VAL A 217 3.225 12.863 30.644 1.00 38.45 C -ATOM 1691 CG1 VAL A 217 2.456 14.135 30.962 1.00 39.36 C -ATOM 1692 CG2 VAL A 217 2.639 12.173 29.432 1.00 36.12 C -ATOM 1693 C VAL A 217 4.818 14.055 29.145 1.00 40.09 C -ATOM 1694 O VAL A 217 4.563 15.261 29.175 1.00 40.72 O -ATOM 1695 N GLY A 218 5.201 13.421 28.043 1.00 38.77 N -ATOM 1696 CA GLY A 218 5.328 14.127 26.785 1.00 36.67 C -ATOM 1697 C GLY A 218 4.968 13.212 25.630 1.00 37.83 C -ATOM 1698 O GLY A 218 4.598 12.050 25.830 1.00 36.12 O -ATOM 1699 N MET A 219 5.098 13.722 24.413 1.00 35.94 N -ATOM 1700 CA MET A 219 4.742 12.944 23.236 1.00 34.94 C -ATOM 1701 CB MET A 219 3.581 13.631 22.520 1.00 32.53 C -ATOM 1702 CG MET A 219 2.392 13.915 23.429 1.00 31.56 C -ATOM 1703 SD MET A 219 1.108 14.873 22.592 1.00 34.60 S -ATOM 1704 CE MET A 219 -0.030 15.151 23.919 1.00 23.35 C -ATOM 1705 C MET A 219 5.896 12.763 22.271 1.00 33.66 C -ATOM 1706 O MET A 219 5.679 12.595 21.073 1.00 34.17 O -ATOM 1707 N SER A 220 7.122 12.787 22.782 1.00 33.02 N -ATOM 1708 CA SER A 220 8.283 12.654 21.910 1.00 33.76 C -ATOM 1709 CB SER A 220 8.676 14.038 21.413 1.00 33.04 C -ATOM 1710 OG SER A 220 9.149 14.817 22.514 1.00 35.59 O -ATOM 1711 C SER A 220 9.467 12.070 22.658 1.00 32.47 C -ATOM 1712 O SER A 220 9.298 11.362 23.641 1.00 33.06 O -ATOM 1713 N THR A 221 10.661 12.356 22.134 1.00 33.60 N -ATOM 1714 CA THR A 221 11.935 12.004 22.760 1.00 33.71 C -ATOM 1715 CB THR A 221 11.962 12.575 24.178 1.00 34.89 C -ATOM 1716 OG1 THR A 221 11.563 13.945 24.117 1.00 37.69 O -ATOM 1717 CG2 THR A 221 13.355 12.470 24.787 1.00 37.58 C -ATOM 1718 C THR A 221 12.411 10.574 22.832 1.00 34.13 C -ATOM 1719 O THR A 221 13.463 10.231 22.281 1.00 34.92 O -ATOM 1720 N VAL A 222 11.664 9.748 23.552 1.00 34.84 N -ATOM 1721 CA VAL A 222 12.025 8.349 23.706 1.00 32.88 C -ATOM 1722 CB VAL A 222 10.857 7.552 24.347 1.00 34.65 C -ATOM 1723 CG1 VAL A 222 11.183 6.067 24.392 1.00 35.38 C -ATOM 1724 CG2 VAL A 222 10.610 8.066 25.751 1.00 33.51 C -ATOM 1725 C VAL A 222 12.455 7.679 22.404 1.00 32.07 C -ATOM 1726 O VAL A 222 13.457 6.966 22.378 1.00 32.48 O -ATOM 1727 N PRO A 223 11.720 7.910 21.297 1.00 32.16 N -ATOM 1728 CA PRO A 223 12.163 7.241 20.069 1.00 29.60 C -ATOM 1729 CB PRO A 223 11.098 7.640 19.037 1.00 28.69 C -ATOM 1730 CG PRO A 223 9.878 7.940 19.870 1.00 27.85 C -ATOM 1731 CD PRO A 223 10.464 8.651 21.078 1.00 28.77 C -ATOM 1732 C PRO A 223 13.570 7.659 19.644 1.00 31.01 C -ATOM 1733 O PRO A 223 14.393 6.813 19.282 1.00 31.67 O -ATOM 1734 N GLU A 224 13.838 8.962 19.670 1.00 31.96 N -ATOM 1735 CA GLU A 224 15.151 9.473 19.275 1.00 34.09 C -ATOM 1736 CB GLU A 224 15.176 11.007 19.327 1.00 35.26 C -ATOM 1737 CG GLU A 224 14.396 11.717 18.230 1.00 42.99 C -ATOM 1738 CD GLU A 224 12.978 12.073 18.640 1.00 48.98 C -ATOM 1739 OE1 GLU A 224 12.296 11.216 19.258 1.00 50.32 O -ATOM 1740 OE2 GLU A 224 12.550 13.212 18.335 1.00 49.97 O -ATOM 1741 C GLU A 224 16.251 8.923 20.188 1.00 33.12 C -ATOM 1742 O GLU A 224 17.352 8.585 19.735 1.00 30.28 O -ATOM 1743 N VAL A 225 15.939 8.840 21.476 1.00 33.45 N -ATOM 1744 CA VAL A 225 16.879 8.334 22.463 1.00 34.33 C -ATOM 1745 CB VAL A 225 16.277 8.400 23.879 1.00 34.91 C -ATOM 1746 CG1 VAL A 225 17.176 7.652 24.872 1.00 38.24 C -ATOM 1747 CG2 VAL A 225 16.104 9.851 24.298 1.00 35.03 C -ATOM 1748 C VAL A 225 17.250 6.889 22.157 1.00 34.22 C -ATOM 1749 O VAL A 225 18.427 6.515 22.198 1.00 33.49 O -ATOM 1750 N ILE A 226 16.243 6.079 21.845 1.00 32.07 N -ATOM 1751 CA ILE A 226 16.474 4.672 21.550 1.00 31.41 C -ATOM 1752 CB ILE A 226 15.131 3.922 21.339 1.00 31.16 C -ATOM 1753 CG1 ILE A 226 14.363 3.862 22.667 1.00 30.19 C -ATOM 1754 CG2 ILE A 226 15.380 2.516 20.783 1.00 30.30 C -ATOM 1755 CD1 ILE A 226 12.939 3.325 22.539 1.00 30.82 C -ATOM 1756 C ILE A 226 17.356 4.510 20.318 1.00 31.37 C -ATOM 1757 O ILE A 226 18.266 3.693 20.303 1.00 33.44 O -ATOM 1758 N VAL A 227 17.110 5.300 19.284 1.00 31.51 N -ATOM 1759 CA VAL A 227 17.918 5.174 18.079 1.00 31.54 C -ATOM 1760 CB VAL A 227 17.256 5.937 16.911 1.00 31.43 C -ATOM 1761 CG1 VAL A 227 18.144 5.906 15.670 1.00 29.59 C -ATOM 1762 CG2 VAL A 227 15.903 5.283 16.588 1.00 31.99 C -ATOM 1763 C VAL A 227 19.345 5.667 18.337 1.00 31.70 C -ATOM 1764 O VAL A 227 20.310 5.079 17.844 1.00 30.68 O -ATOM 1765 N ALA A 228 19.465 6.732 19.127 1.00 31.30 N -ATOM 1766 CA ALA A 228 20.764 7.303 19.481 1.00 34.22 C -ATOM 1767 CB ALA A 228 20.570 8.507 20.406 1.00 35.17 C -ATOM 1768 C ALA A 228 21.580 6.229 20.189 1.00 34.79 C -ATOM 1769 O ALA A 228 22.692 5.893 19.775 1.00 34.44 O -ATOM 1770 N ARG A 229 21.000 5.676 21.248 1.00 35.14 N -ATOM 1771 CA ARG A 229 21.655 4.635 22.012 1.00 36.75 C -ATOM 1772 CB ARG A 229 20.745 4.170 23.153 1.00 36.67 C -ATOM 1773 CG ARG A 229 20.633 5.195 24.281 1.00 39.23 C -ATOM 1774 CD ARG A 229 22.030 5.586 24.776 1.00 40.36 C -ATOM 1775 NE ARG A 229 22.800 4.387 25.102 1.00 44.18 N -ATOM 1776 CZ ARG A 229 24.119 4.346 25.279 1.00 47.96 C -ATOM 1777 NH1 ARG A 229 24.854 5.448 25.166 1.00 47.14 N -ATOM 1778 NH2 ARG A 229 24.704 3.190 25.569 1.00 48.79 N -ATOM 1779 C ARG A 229 22.036 3.463 21.122 1.00 37.91 C -ATOM 1780 O ARG A 229 23.143 2.948 21.223 1.00 40.61 O -ATOM 1781 N HIS A 230 21.126 3.048 20.246 1.00 37.33 N -ATOM 1782 CA HIS A 230 21.394 1.930 19.348 1.00 37.40 C -ATOM 1783 CB HIS A 230 20.175 1.687 18.443 1.00 33.55 C -ATOM 1784 CG HIS A 230 20.337 0.540 17.494 1.00 28.52 C -ATOM 1785 ND1 HIS A 230 20.445 0.712 16.129 1.00 27.93 N -ATOM 1786 CE1 HIS A 230 20.554 -0.469 15.544 1.00 28.76 C -ATOM 1787 NE2 HIS A 230 20.524 -1.402 16.481 1.00 28.27 N -ATOM 1788 CD2 HIS A 230 20.390 -0.796 17.708 1.00 26.13 C -ATOM 1789 C HIS A 230 22.632 2.241 18.507 1.00 38.93 C -ATOM 1790 O HIS A 230 23.382 1.344 18.136 1.00 39.72 O -ATOM 1791 N CYS A 231 22.828 3.525 18.223 1.00 41.16 N -ATOM 1792 CA CYS A 231 23.959 4.012 17.437 1.00 43.98 C -ATOM 1793 CB CYS A 231 23.658 5.409 16.893 1.00 45.87 C -ATOM 1794 SG CYS A 231 22.802 5.423 15.361 1.00 51.69 S -ATOM 1795 C CYS A 231 25.246 4.107 18.247 1.00 43.91 C -ATOM 1796 O CYS A 231 26.335 4.154 17.682 1.00 43.53 O -ATOM 1797 N GLY A 232 25.107 4.168 19.566 1.00 45.12 N -ATOM 1798 CA GLY A 232 26.264 4.271 20.432 1.00 45.69 C -ATOM 1799 C GLY A 232 26.509 5.699 20.883 1.00 47.40 C -ATOM 1800 O GLY A 232 27.518 5.986 21.533 1.00 49.09 O -ATOM 1801 N LEU A 233 25.590 6.603 20.551 1.00 46.40 N -ATOM 1802 CA LEU A 233 25.752 7.996 20.941 1.00 45.82 C -ATOM 1803 CB LEU A 233 24.741 8.894 20.223 1.00 45.45 C -ATOM 1804 CG LEU A 233 24.598 8.833 18.702 1.00 45.69 C -ATOM 1805 CD1 LEU A 233 23.791 10.041 18.250 1.00 43.73 C -ATOM 1806 CD2 LEU A 233 25.956 8.839 18.033 1.00 48.43 C -ATOM 1807 C LEU A 233 25.570 8.175 22.438 1.00 45.56 C -ATOM 1808 O LEU A 233 24.890 7.387 23.092 1.00 45.63 O -ATOM 1809 N ARG A 234 26.193 9.217 22.976 1.00 43.96 N -ATOM 1810 CA ARG A 234 26.061 9.539 24.389 1.00 42.45 C -ATOM 1811 CB ARG A 234 27.223 10.437 24.835 1.00 44.83 C -ATOM 1812 CG ARG A 234 27.082 11.013 26.241 1.00 47.30 C -ATOM 1813 CD ARG A 234 28.226 11.978 26.606 1.00 49.80 C -ATOM 1814 NE ARG A 234 29.548 11.346 26.562 1.00 51.72 N -ATOM 1815 CZ ARG A 234 30.348 11.340 25.497 1.00 54.30 C -ATOM 1816 NH1 ARG A 234 31.528 10.736 25.554 1.00 55.79 N -ATOM 1817 NH2 ARG A 234 29.979 11.950 24.378 1.00 53.82 N -ATOM 1818 C ARG A 234 24.750 10.311 24.422 1.00 39.10 C -ATOM 1819 O ARG A 234 24.509 11.141 23.552 1.00 38.99 O -ATOM 1820 N VAL A 235 23.905 10.059 25.412 1.00 38.52 N -ATOM 1821 CA VAL A 235 22.627 10.756 25.471 1.00 35.30 C -ATOM 1822 CB VAL A 235 21.451 9.792 25.141 1.00 34.01 C -ATOM 1823 CG1 VAL A 235 20.117 10.524 25.302 1.00 30.14 C -ATOM 1824 CG2 VAL A 235 21.609 9.233 23.724 1.00 27.99 C -ATOM 1825 C VAL A 235 22.313 11.436 26.793 1.00 37.58 C -ATOM 1826 O VAL A 235 22.412 10.836 27.862 1.00 38.37 O -ATOM 1827 N PHE A 236 21.897 12.692 26.700 1.00 37.36 N -ATOM 1828 CA PHE A 236 21.536 13.482 27.864 1.00 41.04 C -ATOM 1829 CB PHE A 236 22.721 14.376 28.270 1.00 45.10 C -ATOM 1830 CG PHE A 236 22.315 15.709 28.829 1.00 48.91 C -ATOM 1831 CD1 PHE A 236 21.625 15.801 30.034 1.00 52.81 C -ATOM 1832 CE1 PHE A 236 21.189 17.045 30.522 1.00 54.00 C -ATOM 1833 CZ PHE A 236 21.449 18.202 29.797 1.00 55.31 C -ATOM 1834 CD2 PHE A 236 22.575 16.875 28.117 1.00 53.79 C -ATOM 1835 CE2 PHE A 236 22.145 18.119 28.591 1.00 55.92 C -ATOM 1836 C PHE A 236 20.331 14.334 27.483 1.00 39.09 C -ATOM 1837 O PHE A 236 20.195 14.721 26.333 1.00 40.64 O -ATOM 1838 N GLY A 237 19.458 14.626 28.436 1.00 39.48 N -ATOM 1839 CA GLY A 237 18.309 15.450 28.114 1.00 40.57 C -ATOM 1840 C GLY A 237 17.484 15.903 29.301 1.00 40.89 C -ATOM 1841 O GLY A 237 17.704 15.471 30.431 1.00 43.64 O -ATOM 1842 N PHE A 238 16.526 16.784 29.043 1.00 41.13 N -ATOM 1843 CA PHE A 238 15.650 17.276 30.091 1.00 42.70 C -ATOM 1844 CB PHE A 238 16.337 18.360 30.912 1.00 49.08 C -ATOM 1845 CG PHE A 238 16.855 19.492 30.096 1.00 51.36 C -ATOM 1846 CD1 PHE A 238 18.126 19.431 29.533 1.00 52.23 C -ATOM 1847 CE1 PHE A 238 18.622 20.495 28.781 1.00 57.65 C -ATOM 1848 CZ PHE A 238 17.834 21.642 28.587 1.00 58.61 C -ATOM 1849 CD2 PHE A 238 16.077 20.629 29.898 1.00 54.41 C -ATOM 1850 CE2 PHE A 238 16.558 21.708 29.146 1.00 59.44 C -ATOM 1851 C PHE A 238 14.342 17.822 29.553 1.00 41.09 C -ATOM 1852 O PHE A 238 14.202 18.079 28.364 1.00 41.35 O -ATOM 1853 N SER A 239 13.393 18.005 30.459 1.00 40.41 N -ATOM 1854 CA SER A 239 12.076 18.504 30.122 1.00 41.57 C -ATOM 1855 CB SER A 239 10.993 17.495 30.544 1.00 40.31 C -ATOM 1856 OG SER A 239 11.279 16.185 30.092 1.00 39.67 O -ATOM 1857 C SER A 239 11.796 19.802 30.849 1.00 42.98 C -ATOM 1858 O SER A 239 12.213 19.989 31.993 1.00 43.90 O -ATOM 1859 N LEU A 240 11.080 20.691 30.178 1.00 43.20 N -ATOM 1860 CA LEU A 240 10.670 21.944 30.775 1.00 44.11 C -ATOM 1861 CB LEU A 240 10.730 23.084 29.753 1.00 44.25 C -ATOM 1862 CG LEU A 240 10.099 24.413 30.197 1.00 45.74 C -ATOM 1863 CD1 LEU A 240 10.792 24.930 31.463 1.00 45.82 C -ATOM 1864 CD2 LEU A 240 10.211 25.437 29.067 1.00 44.98 C -ATOM 1865 C LEU A 240 9.225 21.682 31.171 1.00 45.34 C -ATOM 1866 O LEU A 240 8.378 21.447 30.310 1.00 46.12 O -ATOM 1867 N ILE A 241 8.949 21.676 32.469 1.00 46.18 N -ATOM 1868 CA ILE A 241 7.593 21.449 32.948 1.00 45.82 C -ATOM 1869 CB ILE A 241 7.555 21.246 34.469 1.00 45.69 C -ATOM 1870 CG1 ILE A 241 8.524 20.129 34.869 1.00 45.82 C -ATOM 1871 CG2 ILE A 241 6.131 20.940 34.912 1.00 44.80 C -ATOM 1872 CD1 ILE A 241 8.298 18.813 34.144 1.00 45.49 C -ATOM 1873 C ILE A 241 6.786 22.687 32.610 1.00 47.75 C -ATOM 1874 O ILE A 241 6.945 23.729 33.247 1.00 49.69 O -ATOM 1875 N THR A 242 5.920 22.574 31.609 1.00 47.46 N -ATOM 1876 CA THR A 242 5.109 23.702 31.180 1.00 47.06 C -ATOM 1877 CB THR A 242 4.892 23.664 29.658 1.00 48.36 C -ATOM 1878 OG1 THR A 242 4.269 22.421 29.299 1.00 48.39 O -ATOM 1879 CG2 THR A 242 6.223 23.796 28.923 1.00 46.76 C -ATOM 1880 C THR A 242 3.746 23.753 31.854 1.00 47.43 C -ATOM 1881 O THR A 242 3.029 24.745 31.739 1.00 48.26 O -ATOM 1882 N ASN A 243 3.382 22.690 32.560 1.00 47.99 N -ATOM 1883 CA ASN A 243 2.078 22.647 33.210 1.00 48.33 C -ATOM 1884 CB ASN A 243 0.974 22.548 32.146 1.00 47.79 C -ATOM 1885 CG ASN A 243 1.167 21.349 31.209 1.00 49.40 C -ATOM 1886 OD1 ASN A 243 2.147 21.276 30.461 1.00 46.99 O -ATOM 1887 ND2 ASN A 243 0.236 20.403 31.259 1.00 46.24 N -ATOM 1888 C ASN A 243 1.967 21.465 34.156 1.00 49.59 C -ATOM 1889 O ASN A 243 2.716 20.498 34.038 1.00 49.20 O -ATOM 1890 N LYS A 244 1.034 21.559 35.101 1.00 52.59 N -ATOM 1891 CA LYS A 244 0.779 20.486 36.059 1.00 54.96 C -ATOM 1892 CB LYS A 244 0.487 21.040 37.456 1.00 56.19 C -ATOM 1893 CG LYS A 244 1.662 21.670 38.182 1.00 58.96 C -ATOM 1894 CD LYS A 244 1.250 21.988 39.614 1.00 61.27 C -ATOM 1895 CE LYS A 244 2.387 22.573 40.428 1.00 64.64 C -ATOM 1896 NZ LYS A 244 1.935 22.918 41.810 1.00 65.75 N -ATOM 1897 C LYS A 244 -0.464 19.760 35.561 1.00 55.95 C -ATOM 1898 O LYS A 244 -1.550 20.341 35.516 1.00 55.80 O -ATOM 1899 N VAL A 245 -0.309 18.496 35.182 1.00 56.35 N -ATOM 1900 CA VAL A 245 -1.435 17.722 34.677 1.00 56.53 C -ATOM 1901 CB VAL A 245 -0.983 16.305 34.240 1.00 55.71 C -ATOM 1902 CG1 VAL A 245 0.099 16.413 33.181 1.00 53.70 C -ATOM 1903 CG2 VAL A 245 -0.460 15.537 35.427 1.00 56.56 C -ATOM 1904 C VAL A 245 -2.521 17.615 35.739 1.00 56.20 C -ATOM 1905 O VAL A 245 -2.230 17.399 36.913 1.00 55.30 O -ATOM 1906 N ILE A 246 -3.770 17.785 35.319 1.00 57.12 N -ATOM 1907 CA ILE A 246 -4.904 17.706 36.233 1.00 58.69 C -ATOM 1908 CB ILE A 246 -6.230 18.038 35.505 1.00 59.47 C -ATOM 1909 CG1 ILE A 246 -6.046 19.251 34.584 1.00 60.30 C -ATOM 1910 CG2 ILE A 246 -7.322 18.317 36.524 1.00 59.99 C -ATOM 1911 CD1 ILE A 246 -5.639 20.529 35.293 1.00 61.21 C -ATOM 1912 C ILE A 246 -4.992 16.282 36.788 1.00 59.66 C -ATOM 1913 O ILE A 246 -5.128 15.328 36.021 1.00 58.32 O -ATOM 1914 N MET A 247 -4.920 16.136 38.111 1.00 61.15 N -ATOM 1915 CA MET A 247 -4.978 14.811 38.726 1.00 63.20 C -ATOM 1916 CB MET A 247 -3.675 14.515 39.475 1.00 65.31 C -ATOM 1917 CG MET A 247 -3.400 15.437 40.651 1.00 68.65 C -ATOM 1918 SD MET A 247 -1.977 14.886 41.621 1.00 73.14 S -ATOM 1919 CE MET A 247 -0.619 15.765 40.777 1.00 71.96 C -ATOM 1920 C MET A 247 -6.166 14.561 39.660 1.00 63.91 C -ATOM 1921 O MET A 247 -6.227 13.526 40.327 1.00 63.92 O -ATOM 1922 N ASP A 248 -7.102 15.502 39.720 1.00 64.72 N -ATOM 1923 CA ASP A 248 -8.289 15.341 40.557 1.00 66.65 C -ATOM 1924 CB ASP A 248 -8.099 15.981 41.941 1.00 69.31 C -ATOM 1925 CG ASP A 248 -7.871 17.478 41.870 1.00 72.09 C -ATOM 1926 OD1 ASP A 248 -6.701 17.890 41.718 1.00 73.86 O -ATOM 1927 OD2 ASP A 248 -8.862 18.241 41.955 1.00 73.41 O -ATOM 1928 C ASP A 248 -9.456 15.995 39.838 1.00 67.00 C -ATOM 1929 O ASP A 248 -9.259 16.903 39.035 1.00 67.24 O -ATOM 1930 N TYR A 249 -10.670 15.537 40.124 1.00 67.97 N -ATOM 1931 CA TYR A 249 -11.849 16.079 39.462 1.00 69.82 C -ATOM 1932 CB TYR A 249 -12.994 15.069 39.535 1.00 67.52 C -ATOM 1933 CG TYR A 249 -12.680 13.768 38.827 1.00 65.72 C -ATOM 1934 CD1 TYR A 249 -12.709 13.688 37.433 1.00 65.03 C -ATOM 1935 CE1 TYR A 249 -12.388 12.504 36.768 1.00 64.11 C -ATOM 1936 CZ TYR A 249 -12.035 11.382 37.499 1.00 64.02 C -ATOM 1937 OH TYR A 249 -11.701 10.220 36.841 1.00 62.49 O -ATOM 1938 CE2 TYR A 249 -12.003 11.436 38.891 1.00 64.61 C -ATOM 1939 CD2 TYR A 249 -12.325 12.627 39.545 1.00 64.28 C -ATOM 1940 C TYR A 249 -12.313 17.441 39.970 1.00 72.43 C -ATOM 1941 O TYR A 249 -13.165 18.082 39.349 1.00 72.45 O -ATOM 1942 N GLU A 250 -11.749 17.888 41.088 1.00 75.52 N -ATOM 1943 CA GLU A 250 -12.114 19.182 41.656 1.00 79.05 C -ATOM 1944 CB GLU A 250 -11.541 19.326 43.071 1.00 81.06 C -ATOM 1945 CG GLU A 250 -12.254 18.486 44.129 1.00 84.91 C -ATOM 1946 CD GLU A 250 -12.172 16.991 43.857 1.00 87.48 C -ATOM 1947 OE1 GLU A 250 -11.041 16.458 43.797 1.00 88.45 O -ATOM 1948 OE2 GLU A 250 -13.237 16.347 43.706 1.00 88.40 O -ATOM 1949 C GLU A 250 -11.626 20.339 40.785 1.00 80.23 C -ATOM 1950 O GLU A 250 -12.318 21.347 40.636 1.00 80.38 O -ATOM 1951 N SER A 251 -10.439 20.188 40.203 1.00 81.64 N -ATOM 1952 CA SER A 251 -9.866 21.232 39.358 1.00 82.46 C -ATOM 1953 CB SER A 251 -8.512 20.785 38.806 1.00 82.35 C -ATOM 1954 OG SER A 251 -7.957 21.792 37.975 1.00 82.46 O -ATOM 1955 C SER A 251 -10.775 21.638 38.199 1.00 83.21 C -ATOM 1956 O SER A 251 -11.339 20.788 37.506 1.00 82.89 O -ATOM 1957 N LEU A 252 -10.902 22.949 37.999 1.00 84.15 N -ATOM 1958 CA LEU A 252 -11.734 23.500 36.934 1.00 84.41 C -ATOM 1959 CB LEU A 252 -12.657 24.587 37.492 1.00 84.90 C -ATOM 1960 CG LEU A 252 -13.706 24.135 38.512 1.00 85.81 C -ATOM 1961 CD1 LEU A 252 -14.413 25.354 39.098 1.00 85.87 C -ATOM 1962 CD2 LEU A 252 -14.703 23.196 37.843 1.00 85.18 C -ATOM 1963 C LEU A 252 -10.893 24.080 35.801 1.00 84.38 C -ATOM 1964 O LEU A 252 -11.359 24.938 35.048 1.00 84.74 O -ATOM 1965 N GLU A 253 -9.651 23.616 35.692 1.00 83.74 N -ATOM 1966 CA GLU A 253 -8.750 24.071 34.637 1.00 83.25 C -ATOM 1967 CB GLU A 253 -7.454 24.632 35.230 1.00 83.94 C -ATOM 1968 CG GLU A 253 -7.574 26.036 35.798 1.00 85.42 C -ATOM 1969 CD GLU A 253 -6.216 26.671 36.050 1.00 86.87 C -ATOM 1970 OE1 GLU A 253 -5.465 26.152 36.905 1.00 86.84 O -ATOM 1971 OE2 GLU A 253 -5.898 27.685 35.388 1.00 87.15 O -ATOM 1972 C GLU A 253 -8.415 22.921 33.689 1.00 82.14 C -ATOM 1973 O GLU A 253 -8.642 21.753 34.014 1.00 82.35 O -ATOM 1974 N LYS A 254 -7.875 23.255 32.519 1.00 80.44 N -ATOM 1975 CA LYS A 254 -7.512 22.247 31.528 1.00 78.50 C -ATOM 1976 CB LYS A 254 -8.674 22.029 30.549 1.00 77.12 C -ATOM 1977 CG LYS A 254 -9.156 23.299 29.865 1.00 76.69 C -ATOM 1978 CD LYS A 254 -9.902 22.999 28.571 1.00 76.03 C -ATOM 1979 CE LYS A 254 -11.132 22.133 28.795 1.00 75.56 C -ATOM 1980 NZ LYS A 254 -11.837 21.830 27.507 1.00 74.30 N -ATOM 1981 C LYS A 254 -6.245 22.608 30.746 1.00 77.85 C -ATOM 1982 O LYS A 254 -5.989 23.781 30.458 1.00 77.48 O -ATOM 1983 N ALA A 255 -5.462 21.586 30.404 1.00 77.12 N -ATOM 1984 CA ALA A 255 -4.220 21.760 29.650 1.00 76.57 C -ATOM 1985 CB ALA A 255 -3.464 20.431 29.575 1.00 75.53 C -ATOM 1986 C ALA A 255 -4.494 22.285 28.238 1.00 75.85 C -ATOM 1987 O ALA A 255 -5.455 21.872 27.588 1.00 75.34 O -ATOM 1988 N ASN A 256 -3.638 23.188 27.766 1.00 75.15 N -ATOM 1989 CA ASN A 256 -3.803 23.766 26.438 1.00 74.71 C -ATOM 1990 CB ASN A 256 -4.808 24.926 26.499 1.00 75.10 C -ATOM 1991 CG ASN A 256 -4.498 25.915 27.616 1.00 75.11 C -ATOM 1992 OD1 ASN A 256 -3.441 26.545 27.628 1.00 73.59 O -ATOM 1993 ND2 ASN A 256 -5.426 26.052 28.561 1.00 75.07 N -ATOM 1994 C ASN A 256 -2.494 24.244 25.811 1.00 75.02 C -ATOM 1995 O ASN A 256 -1.516 24.521 26.508 1.00 75.09 O -ATOM 1996 N PHE A 257 -2.493 24.333 24.484 1.00 75.40 N -ATOM 1997 CA PHE A 257 -1.333 24.768 23.710 1.00 76.57 C -ATOM 1998 CB PHE A 257 -1.726 24.886 22.233 1.00 75.77 C -ATOM 1999 CG PHE A 257 -0.588 25.254 21.319 1.00 75.11 C -ATOM 2000 CD1 PHE A 257 0.444 24.351 21.068 1.00 74.73 C -ATOM 2001 CE1 PHE A 257 1.487 24.676 20.192 1.00 75.30 C -ATOM 2002 CZ PHE A 257 1.503 25.922 19.564 1.00 75.49 C -ATOM 2003 CD2 PHE A 257 -0.560 26.498 20.687 1.00 74.88 C -ATOM 2004 CE2 PHE A 257 0.476 26.837 19.811 1.00 75.07 C -ATOM 2005 C PHE A 257 -0.783 26.109 24.203 1.00 77.63 C -ATOM 2006 O PHE A 257 0.418 26.376 24.101 1.00 77.54 O -ATOM 2007 N GLU A 258 -1.669 26.948 24.733 1.00 79.09 N -ATOM 2008 CA GLU A 258 -1.284 28.263 25.238 1.00 80.78 C -ATOM 2009 CB GLU A 258 -2.535 29.096 25.531 1.00 82.33 C -ATOM 2010 CG GLU A 258 -3.495 29.180 24.352 1.00 85.44 C -ATOM 2011 CD GLU A 258 -2.829 29.717 23.094 1.00 87.57 C -ATOM 2012 OE1 GLU A 258 -2.493 30.921 23.066 1.00 88.51 O -ATOM 2013 OE2 GLU A 258 -2.636 28.932 22.137 1.00 88.79 O -ATOM 2014 C GLU A 258 -0.434 28.141 26.498 1.00 81.18 C -ATOM 2015 O GLU A 258 0.581 28.824 26.638 1.00 81.43 O -ATOM 2016 N GLU A 259 -0.857 27.271 27.411 1.00 81.67 N -ATOM 2017 CA GLU A 259 -0.138 27.038 28.662 1.00 82.27 C -ATOM 2018 CB GLU A 259 -0.791 25.877 29.429 1.00 83.02 C -ATOM 2019 CG GLU A 259 -1.266 26.187 30.857 1.00 84.63 C -ATOM 2020 CD GLU A 259 -0.131 26.320 31.872 1.00 86.07 C -ATOM 2021 OE1 GLU A 259 1.033 26.512 31.459 1.00 86.42 O -ATOM 2022 OE2 GLU A 259 -0.409 26.238 33.091 1.00 85.69 O -ATOM 2023 C GLU A 259 1.315 26.681 28.340 1.00 82.31 C -ATOM 2024 O GLU A 259 2.250 27.323 28.826 1.00 82.20 O -ATOM 2025 N VAL A 260 1.485 25.663 27.499 1.00 81.99 N -ATOM 2026 CA VAL A 260 2.804 25.171 27.104 1.00 81.08 C -ATOM 2027 CB VAL A 260 2.672 24.012 26.084 1.00 80.01 C -ATOM 2028 CG1 VAL A 260 4.046 23.449 25.746 1.00 78.42 C -ATOM 2029 CG2 VAL A 260 1.776 22.921 26.654 1.00 78.75 C -ATOM 2030 C VAL A 260 3.762 26.220 26.537 1.00 81.52 C -ATOM 2031 O VAL A 260 4.843 26.430 27.089 1.00 81.62 O -ATOM 2032 N LEU A 261 3.383 26.872 25.440 1.00 81.90 N -ATOM 2033 CA LEU A 261 4.258 27.877 24.836 1.00 82.28 C -ATOM 2034 CB LEU A 261 3.704 28.350 23.485 1.00 82.91 C -ATOM 2035 CG LEU A 261 3.824 27.389 22.293 1.00 83.63 C -ATOM 2036 CD1 LEU A 261 3.554 28.168 21.010 1.00 83.38 C -ATOM 2037 CD2 LEU A 261 5.220 26.768 22.236 1.00 82.90 C -ATOM 2038 C LEU A 261 4.519 29.083 25.735 1.00 82.12 C -ATOM 2039 O LEU A 261 5.576 29.712 25.644 1.00 81.93 O -ATOM 2040 N ALA A 262 3.560 29.406 26.601 1.00 81.63 N -ATOM 2041 CA ALA A 262 3.720 30.531 27.519 1.00 81.55 C -ATOM 2042 CB ALA A 262 2.407 30.811 28.252 1.00 80.39 C -ATOM 2043 C ALA A 262 4.824 30.183 28.517 1.00 81.75 C -ATOM 2044 O ALA A 262 5.675 31.018 28.842 1.00 82.16 O -ATOM 2045 N ALA A 263 4.802 28.946 29.008 1.00 80.99 N -ATOM 2046 CA ALA A 263 5.816 28.489 29.944 1.00 79.86 C -ATOM 2047 CB ALA A 263 5.471 27.103 30.453 1.00 79.41 C -ATOM 2048 C ALA A 263 7.118 28.458 29.159 1.00 79.73 C -ATOM 2049 O ALA A 263 8.166 28.890 29.644 1.00 79.54 O -ATOM 2050 N GLY A 264 7.031 27.953 27.930 1.00 79.35 N -ATOM 2051 CA GLY A 264 8.192 27.882 27.064 1.00 79.33 C -ATOM 2052 C GLY A 264 8.531 29.255 26.512 1.00 80.28 C -ATOM 2053 O GLY A 264 9.262 29.379 25.528 1.00 80.77 O -ATOM 2054 N LYS A 265 7.990 30.290 27.149 1.00 80.70 N -ATOM 2055 CA LYS A 265 8.234 31.674 26.745 1.00 80.81 C -ATOM 2056 CB LYS A 265 6.899 32.412 26.554 1.00 81.18 C -ATOM 2057 CG LYS A 265 7.016 33.905 26.239 1.00 81.00 C -ATOM 2058 CD LYS A 265 7.650 34.168 24.877 1.00 81.22 C -ATOM 2059 CE LYS A 265 7.625 35.661 24.544 1.00 81.17 C -ATOM 2060 NZ LYS A 265 8.198 35.968 23.198 1.00 81.34 N -ATOM 2061 C LYS A 265 9.076 32.390 27.802 1.00 80.13 C -ATOM 2062 O LYS A 265 10.101 32.998 27.487 1.00 79.73 O -ATOM 2063 N GLN A 266 8.642 32.312 29.057 1.00 79.63 N -ATOM 2064 CA GLN A 266 9.368 32.961 30.141 1.00 80.15 C -ATOM 2065 CB GLN A 266 8.440 33.227 31.338 1.00 80.48 C -ATOM 2066 CG GLN A 266 7.584 34.494 31.209 1.00 81.38 C -ATOM 2067 CD GLN A 266 6.276 34.270 30.465 1.00 82.60 C -ATOM 2068 OE1 GLN A 266 5.377 33.591 30.962 1.00 83.28 O -ATOM 2069 NE2 GLN A 266 6.165 34.841 29.267 1.00 82.15 N -ATOM 2070 C GLN A 266 10.577 32.149 30.594 1.00 79.75 C -ATOM 2071 O GLN A 266 11.718 32.529 30.336 1.00 79.39 O -ATOM 2072 N ALA A 267 10.322 31.028 31.260 1.00 79.83 N -ATOM 2073 CA ALA A 267 11.391 30.169 31.763 1.00 78.76 C -ATOM 2074 CB ALA A 267 10.816 29.149 32.743 1.00 78.68 C -ATOM 2075 C ALA A 267 12.150 29.450 30.651 1.00 78.25 C -ATOM 2076 O ALA A 267 12.973 28.576 30.919 1.00 77.35 O -ATOM 2077 N ALA A 268 11.881 29.826 29.407 1.00 78.14 N -ATOM 2078 CA ALA A 268 12.543 29.202 28.267 1.00 78.25 C -ATOM 2079 CB ALA A 268 11.893 29.669 26.970 1.00 78.41 C -ATOM 2080 C ALA A 268 14.039 29.500 28.235 1.00 77.91 C -ATOM 2081 O ALA A 268 14.862 28.582 28.178 1.00 78.38 O -ATOM 2082 N GLN A 269 14.384 30.784 28.265 1.00 77.46 N -ATOM 2083 CA GLN A 269 15.781 31.211 28.227 1.00 76.78 C -ATOM 2084 CB GLN A 269 15.874 32.734 28.405 1.00 77.38 C -ATOM 2085 CG GLN A 269 14.655 33.392 29.054 1.00 80.45 C -ATOM 2086 CD GLN A 269 14.513 33.093 30.544 1.00 82.11 C -ATOM 2087 OE1 GLN A 269 14.249 31.957 30.949 1.00 81.88 O -ATOM 2088 NE2 GLN A 269 14.685 34.125 31.369 1.00 82.63 N -ATOM 2089 C GLN A 269 16.680 30.507 29.245 1.00 75.71 C -ATOM 2090 O GLN A 269 17.859 30.270 28.979 1.00 75.37 O -ATOM 2091 N LYS A 270 16.128 30.165 30.404 1.00 74.09 N -ATOM 2092 CA LYS A 270 16.903 29.481 31.432 1.00 73.08 C -ATOM 2093 CB LYS A 270 16.011 29.170 32.639 1.00 73.82 C -ATOM 2094 CG LYS A 270 16.746 28.555 33.824 1.00 74.84 C -ATOM 2095 CD LYS A 270 15.856 28.478 35.070 1.00 76.61 C -ATOM 2096 CE LYS A 270 14.601 27.630 34.849 1.00 76.87 C -ATOM 2097 NZ LYS A 270 13.802 27.466 36.103 1.00 76.50 N -ATOM 2098 C LYS A 270 17.518 28.193 30.871 1.00 72.24 C -ATOM 2099 O LYS A 270 18.694 27.904 31.115 1.00 70.72 O -ATOM 2100 N LEU A 271 16.727 27.429 30.115 1.00 71.71 N -ATOM 2101 CA LEU A 271 17.213 26.183 29.512 1.00 70.85 C -ATOM 2102 CB LEU A 271 16.095 25.436 28.781 1.00 72.89 C -ATOM 2103 CG LEU A 271 14.873 24.921 29.528 1.00 74.89 C -ATOM 2104 CD1 LEU A 271 13.988 26.089 29.915 1.00 76.17 C -ATOM 2105 CD2 LEU A 271 14.106 23.957 28.627 1.00 77.07 C -ATOM 2106 C LEU A 271 18.304 26.475 28.498 1.00 68.85 C -ATOM 2107 O LEU A 271 19.309 25.772 28.431 1.00 68.85 O -ATOM 2108 N GLU A 272 18.081 27.505 27.694 1.00 67.80 N -ATOM 2109 CA GLU A 272 19.035 27.894 26.670 1.00 67.88 C -ATOM 2110 CB GLU A 272 18.536 29.154 25.956 1.00 69.63 C -ATOM 2111 CG GLU A 272 17.231 28.931 25.192 1.00 72.79 C -ATOM 2112 CD GLU A 272 16.696 30.197 24.539 1.00 74.94 C -ATOM 2113 OE1 GLU A 272 17.424 30.808 23.724 1.00 76.25 O -ATOM 2114 OE2 GLU A 272 15.543 30.578 24.840 1.00 75.66 O -ATOM 2115 C GLU A 272 20.419 28.118 27.272 1.00 66.89 C -ATOM 2116 O GLU A 272 21.412 27.578 26.779 1.00 66.84 O -ATOM 2117 N GLN A 273 20.481 28.906 28.341 1.00 65.77 N -ATOM 2118 CA GLN A 273 21.746 29.181 29.011 1.00 64.06 C -ATOM 2119 CB GLN A 273 21.531 30.087 30.222 1.00 66.56 C -ATOM 2120 CG GLN A 273 20.870 31.416 29.924 1.00 70.35 C -ATOM 2121 CD GLN A 273 20.582 32.212 31.191 1.00 73.68 C -ATOM 2122 OE1 GLN A 273 20.035 33.318 31.133 1.00 74.61 O -ATOM 2123 NE2 GLN A 273 20.950 31.650 32.346 1.00 73.87 N -ATOM 2124 C GLN A 273 22.334 27.865 29.494 1.00 61.48 C -ATOM 2125 O GLN A 273 23.487 27.541 29.206 1.00 60.29 O -ATOM 2126 N PHE A 274 21.521 27.114 30.232 1.00 58.99 N -ATOM 2127 CA PHE A 274 21.936 25.830 30.784 1.00 58.38 C -ATOM 2128 CB PHE A 274 20.739 25.131 31.438 1.00 60.76 C -ATOM 2129 CG PHE A 274 21.116 23.979 32.335 1.00 63.45 C -ATOM 2130 CD1 PHE A 274 22.373 23.921 32.938 1.00 65.85 C -ATOM 2131 CE1 PHE A 274 22.721 22.856 33.780 1.00 66.35 C -ATOM 2132 CZ PHE A 274 21.801 21.836 34.024 1.00 66.14 C -ATOM 2133 CD2 PHE A 274 20.207 22.955 32.589 1.00 65.15 C -ATOM 2134 CE2 PHE A 274 20.544 21.884 33.429 1.00 65.39 C -ATOM 2135 C PHE A 274 22.549 24.918 29.722 1.00 57.48 C -ATOM 2136 O PHE A 274 23.631 24.360 29.925 1.00 57.88 O -ATOM 2137 N VAL A 275 21.863 24.771 28.591 1.00 55.70 N -ATOM 2138 CA VAL A 275 22.355 23.919 27.509 1.00 54.02 C -ATOM 2139 CB VAL A 275 21.328 23.819 26.341 1.00 53.78 C -ATOM 2140 CG1 VAL A 275 21.959 23.127 25.133 1.00 50.44 C -ATOM 2141 CG2 VAL A 275 20.106 23.043 26.798 1.00 53.18 C -ATOM 2142 C VAL A 275 23.673 24.438 26.962 1.00 51.65 C -ATOM 2143 O VAL A 275 24.587 23.664 26.683 1.00 49.47 O -ATOM 2144 N SER A 276 23.757 25.752 26.797 1.00 52.71 N -ATOM 2145 CA SER A 276 24.970 26.381 26.291 1.00 53.57 C -ATOM 2146 CB SER A 276 24.770 27.892 26.178 1.00 55.57 C -ATOM 2147 OG SER A 276 25.929 28.509 25.641 1.00 60.96 O -ATOM 2148 C SER A 276 26.153 26.091 27.213 1.00 51.75 C -ATOM 2149 O SER A 276 27.195 25.606 26.771 1.00 49.63 O -ATOM 2150 N ILE A 277 25.978 26.381 28.498 1.00 52.10 N -ATOM 2151 CA ILE A 277 27.033 26.161 29.486 1.00 54.13 C -ATOM 2152 CB ILE A 277 26.584 26.645 30.882 1.00 55.22 C -ATOM 2153 CG1 ILE A 277 26.199 28.126 30.815 1.00 55.73 C -ATOM 2154 CG2 ILE A 277 27.704 26.442 31.894 1.00 57.99 C -ATOM 2155 CD1 ILE A 277 25.456 28.629 32.036 1.00 56.19 C -ATOM 2156 C ILE A 277 27.395 24.683 29.567 1.00 54.35 C -ATOM 2157 O ILE A 277 28.570 24.322 29.657 1.00 55.11 O -ATOM 2158 N LEU A 278 26.374 23.832 29.515 1.00 54.44 N -ATOM 2159 CA LEU A 278 26.562 22.388 29.593 1.00 52.51 C -ATOM 2160 CB LEU A 278 25.197 21.697 29.544 1.00 55.88 C -ATOM 2161 CG LEU A 278 24.911 20.582 30.554 1.00 57.68 C -ATOM 2162 CD1 LEU A 278 25.797 19.382 30.261 1.00 59.29 C -ATOM 2163 CD2 LEU A 278 25.143 21.097 31.969 1.00 56.85 C -ATOM 2164 C LEU A 278 27.470 21.848 28.485 1.00 50.66 C -ATOM 2165 O LEU A 278 28.062 20.779 28.627 1.00 49.21 O -ATOM 2166 N MET A 279 27.581 22.582 27.383 1.00 49.64 N -ATOM 2167 CA MET A 279 28.432 22.152 26.275 1.00 51.00 C -ATOM 2168 CB MET A 279 28.399 23.183 25.145 1.00 52.58 C -ATOM 2169 CG MET A 279 27.069 23.286 24.397 1.00 54.67 C -ATOM 2170 SD MET A 279 26.696 21.801 23.435 1.00 56.36 S -ATOM 2171 CE MET A 279 25.360 21.123 24.398 1.00 55.28 C -ATOM 2172 C MET A 279 29.882 21.936 26.719 1.00 52.47 C -ATOM 2173 O MET A 279 30.546 21.001 26.269 1.00 52.42 O -ATOM 2174 N ALA A 280 30.374 22.808 27.598 1.00 53.56 N -ATOM 2175 CA ALA A 280 31.744 22.703 28.099 1.00 54.66 C -ATOM 2176 CB ALA A 280 32.064 23.892 28.996 1.00 54.05 C -ATOM 2177 C ALA A 280 31.956 21.404 28.870 1.00 55.53 C -ATOM 2178 O ALA A 280 33.074 20.889 28.944 1.00 55.94 O -ATOM 2179 N SER A 281 30.876 20.875 29.437 1.00 55.69 N -ATOM 2180 CA SER A 281 30.938 19.641 30.212 1.00 56.75 C -ATOM 2181 CB SER A 281 29.773 19.592 31.201 1.00 58.43 C -ATOM 2182 OG SER A 281 29.722 20.781 31.982 1.00 63.01 O -ATOM 2183 C SER A 281 30.922 18.390 29.333 1.00 57.38 C -ATOM 2184 O SER A 281 31.115 17.274 29.826 1.00 56.98 O -ATOM 2185 N ILE A 282 30.689 18.571 28.034 1.00 56.43 N -ATOM 2186 CA ILE A 282 30.666 17.440 27.110 1.00 56.19 C -ATOM 2187 CB ILE A 282 29.783 17.720 25.862 1.00 54.89 C -ATOM 2188 CG1 ILE A 282 28.329 17.940 26.278 1.00 54.53 C -ATOM 2189 CG2 ILE A 282 29.880 16.552 24.887 1.00 52.05 C -ATOM 2190 CD1 ILE A 282 27.426 18.345 25.134 1.00 53.10 C -ATOM 2191 C ILE A 282 32.078 17.146 26.624 1.00 56.34 C -ATOM 2192 O ILE A 282 32.700 17.978 25.972 1.00 55.83 O -ATOM 2193 N PRO A 283 32.603 15.951 26.931 1.00 58.14 N -ATOM 2194 CA PRO A 283 33.960 15.615 26.485 1.00 59.51 C -ATOM 2195 CB PRO A 283 34.162 14.198 27.025 1.00 58.72 C -ATOM 2196 CG PRO A 283 32.766 13.650 27.113 1.00 59.15 C -ATOM 2197 CD PRO A 283 31.974 14.819 27.632 1.00 58.08 C -ATOM 2198 C PRO A 283 34.060 15.696 24.967 1.00 62.34 C -ATOM 2199 O PRO A 283 33.124 16.142 24.310 1.00 63.48 O -ATOM 2200 N LEU A 284 35.183 15.270 24.400 1.00 64.65 N -ATOM 2201 CA LEU A 284 35.329 15.332 22.952 1.00 66.92 C -ATOM 2202 CB LEU A 284 36.044 16.630 22.563 1.00 67.63 C -ATOM 2203 CG LEU A 284 36.931 17.300 23.614 1.00 66.84 C -ATOM 2204 CD1 LEU A 284 38.303 16.645 23.632 1.00 68.72 C -ATOM 2205 CD2 LEU A 284 37.062 18.783 23.285 1.00 66.78 C -ATOM 2206 C LEU A 284 36.026 14.126 22.338 1.00 68.39 C -ATOM 2207 O LEU A 284 36.313 13.178 23.099 1.00 69.92 O -TER 2208 LEU A 284 -HETATM 2209 S SO4 A 401 7.842 18.454 22.546 1.00 57.99 S -HETATM 2210 O1 SO4 A 401 8.418 19.645 23.481 1.00 58.58 O -HETATM 2211 O2 SO4 A 401 8.515 18.623 21.270 1.00 57.33 O -HETATM 2212 O3 SO4 A 401 8.071 17.292 23.092 1.00 57.88 O -HETATM 2213 O4 SO4 A 401 6.456 18.818 22.419 1.00 58.29 O -HETATM 2214 S SO4 A 402 1.775 -4.350 11.371 1.00 42.93 S -HETATM 2215 O1 SO4 A 402 1.798 -3.296 12.580 1.00 45.52 O -HETATM 2216 O2 SO4 A 402 1.880 -3.565 10.176 1.00 48.74 O -HETATM 2217 O3 SO4 A 402 2.748 -5.202 11.486 1.00 47.42 O -HETATM 2218 O4 SO4 A 402 0.458 -4.886 11.448 1.00 45.77 O -HETATM 2219 O5' DIH A 300 1.312 21.854 23.842 1.00 57.87 O -HETATM 2220 C5' DIH A 300 1.590 20.566 23.309 1.00 56.27 C -HETATM 2221 C4' DIH A 300 2.913 19.986 22.965 1.00 55.40 C -HETATM 2222 C6' DIH A 300 3.764 19.949 24.169 1.00 53.44 C -HETATM 2223 C3' DIH A 300 2.820 18.596 22.428 1.00 55.15 C -HETATM 2224 O3' DIH A 300 3.611 18.293 21.281 1.00 58.05 O -HETATM 2225 C2' DIH A 300 3.078 17.918 23.716 1.00 53.83 C -HETATM 2226 N1' DIH A 300 4.192 18.580 24.357 1.00 52.11 N -HETATM 2227 C10 DIH A 300 4.402 18.279 25.762 1.00 46.29 C -HETATM 2228 C9 DIH A 300 3.448 18.440 26.889 1.00 44.12 C -HETATM 2229 C8 DIH A 300 3.265 19.520 27.731 1.00 42.47 C -HETATM 2230 N7 DIH A 300 2.327 19.361 28.633 1.00 45.22 N -HETATM 2231 C5 DIH A 300 1.827 18.091 28.414 1.00 41.63 C -HETATM 2232 C6 DIH A 300 0.763 17.363 29.095 1.00 41.77 C -HETATM 2233 O6 DIH A 300 0.091 17.762 30.040 1.00 40.68 O -HETATM 2234 N1 DIH A 300 0.525 16.052 28.579 1.00 42.19 N -HETATM 2235 C2 DIH A 300 1.235 15.478 27.489 1.00 40.87 C -HETATM 2236 N3 DIH A 300 2.239 16.170 26.837 1.00 42.16 N -HETATM 2237 C4 DIH A 300 2.498 17.485 27.337 1.00 43.28 C -HETATM 2238 O HOH A 501 5.682 16.301 22.711 1.00 40.40 O -HETATM 2239 O HOH A 502 17.157 2.517 33.362 1.00 36.76 O -HETATM 2240 O HOH A 503 7.523 16.080 25.395 1.00 35.89 O -HETATM 2241 O HOH A 504 -7.021 16.653 29.089 1.00 36.56 O -HETATM 2242 O HOH A 505 5.849 3.811 13.435 1.00 32.21 O -HETATM 2243 O HOH A 506 -7.934 9.655 26.064 1.00 33.65 O -HETATM 2244 O HOH A 507 24.035 7.790 27.069 1.00 45.14 O -HETATM 2245 O HOH A 508 15.284 5.859 10.288 1.00 31.70 O -HETATM 2246 O HOH A 509 9.213 4.154 20.983 1.00 33.60 O -HETATM 2247 O HOH A 510 17.544 -3.242 16.561 1.00 29.72 O -HETATM 2248 O HOH A 511 12.386 14.090 15.131 1.00 33.85 O -HETATM 2249 O HOH A 512 11.364 0.930 12.499 1.00 39.65 O -HETATM 2250 O HOH A 513 -1.384 -5.697 9.204 1.00 48.44 O -HETATM 2251 O HOH A 514 33.203 20.196 19.041 1.00 49.39 O -HETATM 2252 O HOH A 515 -4.389 10.426 26.456 1.00 47.76 O -HETATM 2253 O HOH A 516 8.411 3.049 36.848 1.00 37.63 O -HETATM 2254 O HOH A 517 23.550 -1.043 19.647 1.00 36.43 O -HETATM 2255 O HOH A 518 6.919 11.135 18.669 1.00 33.54 O -HETATM 2256 O HOH A 519 3.544 11.661 19.215 1.00 39.12 O -HETATM 2257 O HOH A 520 17.136 4.539 30.740 1.00 35.21 O -HETATM 2258 O HOH A 521 -6.377 12.006 25.194 1.00 36.39 O -HETATM 2259 O HOH A 522 23.174 -8.001 16.940 1.00 53.12 O -HETATM 2260 O HOH A 523 9.611 12.023 19.139 1.00 37.66 O -HETATM 2261 O HOH A 524 23.374 -6.022 9.387 1.00 53.36 O -HETATM 2262 O HOH A 525 15.548 5.076 12.720 1.00 41.02 O -HETATM 2263 O HOH A 526 13.168 16.314 1.968 1.00 49.81 O -HETATM 2264 O HOH A 527 21.932 -7.867 20.330 1.00 47.15 O -HETATM 2265 O HOH A 528 -1.703 9.893 24.456 1.00 42.11 O -HETATM 2266 O HOH A 529 31.127 15.554 12.458 1.00 55.69 O -HETATM 2267 O HOH A 530 21.384 2.550 26.576 1.00 43.41 O -HETATM 2268 O HOH A 531 18.740 8.100 -1.083 1.00 47.23 O -HETATM 2269 O HOH A 532 13.964 7.757 37.178 1.00 43.30 O -HETATM 2270 O HOH A 533 21.619 25.619 1.033 1.00 51.48 O -HETATM 2271 O HOH A 534 19.496 -3.785 31.112 1.00 52.22 O -HETATM 2272 O HOH A 535 15.365 1.158 12.112 1.00 53.21 O -HETATM 2273 O HOH A 536 -11.493 18.206 35.954 1.00 52.54 O -HETATM 2274 O HOH A 537 -2.407 16.845 30.584 1.00 43.86 O -HETATM 2275 O HOH A 538 19.372 6.007 32.195 1.00 54.35 O -HETATM 2276 O HOH A 539 19.456 13.097 30.929 1.00 42.78 O -HETATM 2277 O HOH A 540 10.000 -1.206 23.451 1.00 55.37 O -HETATM 2278 O HOH A 541 -5.585 15.596 33.263 1.00 50.63 O -HETATM 2279 O HOH A 542 -1.609 9.476 17.949 1.00 45.63 O -HETATM 2280 O HOH A 543 23.401 -3.056 24.451 1.00 55.04 O -HETATM 2281 O HOH A 544 4.513 10.311 6.679 1.00 57.41 O -HETATM 2282 O HOH A 545 21.758 -8.132 13.478 1.00 48.19 O -HETATM 2283 O HOH A 546 -0.265 24.045 35.282 1.00 49.68 O -HETATM 2284 O HOH A 547 14.213 3.793 0.094 1.00 52.50 O -HETATM 2285 O HOH A 548 10.177 5.605 37.746 1.00 52.45 O -HETATM 2286 O HOH A 549 -2.103 20.779 33.025 1.00 54.61 O -HETATM 2287 O HOH A 550 3.147 25.765 39.279 1.00 53.58 O -HETATM 2288 O HOH A 551 -1.544 -3.198 12.146 1.00 58.28 O -HETATM 2289 O HOH A 552 26.525 6.718 27.804 1.00 57.16 O -HETATM 2290 O HOH A 553 28.342 21.626 13.375 1.00 54.54 O -HETATM 2291 O HOH A 554 27.169 2.814 14.929 1.00 55.63 O -HETATM 2292 O HOH A 555 22.539 29.888 6.645 1.00 52.07 O -HETATM 2293 O HOH A 556 -5.172 18.715 39.472 1.00 53.08 O -HETATM 2294 O HOH A 557 -4.241 17.828 32.279 1.00 53.65 O -HETATM 2295 O HOH A 558 13.435 15.912 41.293 1.00 55.64 O -HETATM 2296 O HOH A 559 17.696 -8.595 12.075 1.00 48.02 O -HETATM 2297 O HOH A 560 15.458 -1.953 12.503 1.00 46.09 O -END diff --git a/tests/test_data/2a0x_final.mtz b/tests/test_data/2a0x_final.mtz deleted file mode 100644 index 13f09e2..0000000 Binary files a/tests/test_data/2a0x_final.mtz and /dev/null differ diff --git a/tests/test_data/2a0x_final.pdb b/tests/test_data/2a0x_final.pdb deleted file mode 100644 index c1a669b..0000000 --- a/tests/test_data/2a0x_final.pdb +++ /dev/null @@ -1,2532 +0,0 @@ -HEADER TRANSFERASE 17-JUN-05 2A0X -TITLE STRUCTURE OF HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE H257F MUT -COMPND STRUCTURE OF HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE H257F MUT -EXPDTA X-RAY DIFFRACTION -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 5.8.0241 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, -REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.28 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.42 -REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE -REMARK 3 COMPLETENESS FOR RANGE (%) : 97.52 -REMARK 3 NUMBER OF REFLECTIONS : 25853 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING + TEST SET) : 0.18639 -REMARK 3 R VALUE (WORKING SET) : 0.18403 -REMARK 3 FREE R VALUE : 0.20800 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.0 -REMARK 3 FREE R VALUE TEST SET COUNT : 2868 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 20 -REMARK 3 BIN RESOLUTION RANGE HIGH : 2.280 -REMARK 3 BIN RESOLUTION RANGE LOW : 2.339 -REMARK 3 REFLECTION IN BIN (WORKING SET) : 1766 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.04 -REMARK 3 BIN R VALUE (WORKING SET) : 0.219 -REMARK 3 BIN FREE R VALUE SET COUNT : 226 -REMARK 3 BIN FREE R VALUE : 0.232 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 ALL ATOMS : 2295 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.082 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : -0.52 -REMARK 3 B22 (A**2) : -0.52 -REMARK 3 B33 (A**2) : 1.69 -REMARK 3 B12 (A**2) : -0.26 -REMARK 3 B13 (A**2) : 0.00 -REMARK 3 B23 (A**2) : 0.00 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): 0.163 -REMARK 3 ESU BASED ON FREE R VALUE (A): 0.148 -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.092 -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.385 -REMARK 3 -REMARK 3 CORRELATION COEFFICIENTS. -REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.956 -REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.947 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT -REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2287 ; 0.010 ; 0.013 -REMARK 3 BOND LENGTHS OTHERS (A): 2643 ; 0.002 ; 0.018 -REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3097 ; 1.849 ; 1.646 -REMARK 3 BOND ANGLES OTHERS (DEGREES): 6218 ;22.596 ; 1.704 -REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 281 ; 7.382 ; 5.000 -REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 122 ;33.142 ;21.557 -REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 377 ;16.762 ;15.000 -REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 17 ;15.472 ;15.000 -REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 287 ; 0.080 ; 0.200 -REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2571 ; 0.014 ; 0.020 -REMARK 3 GENERAL PLANES OTHERS (A): 504 ; 0.010 ; 0.020 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1127 ; 4.207 ; 3.312 -REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1126 ; 4.205 ; 3.310 -REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1407 ; 6.106 ; 4.942 -REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 1408 ; 6.105 ; 4.943 -REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1159 ; 4.912 ; 3.689 -REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 1160 ; 4.912 ; 3.690 -REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 1690 ; 6.797 ; 5.381 -REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 2485 ; 9.111 ;38.647 -REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 2480 ; 9.115 ;38.588 -REMARK 3 -REMARK 3 NCS RESTRAINTS STATISTICS -REMARK 3 NUMBER OF NCS GROUPS : NULL -REMARK 3 -REMARK 3 TWIN DETAILS -REMARK 3 NUMBER OF TWIN DOMAINS : NULL -REMARK 3 -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : 1 -REMARK 3 ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY -REMARK 3 -REMARK 3 TLS GROUP : 1 -REMARK 3 NUMBER OF COMPONENTS GROUP : 1 -REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI -REMARK 3 RESIDUE RANGE : A 3 A 284 -REMARK 3 ORIGIN FOR THE GROUP (A): 14.6520 15.3910 22.5410 -REMARK 3 T TENSOR -REMARK 3 T11: 0.2163 T22: 0.1587 -REMARK 3 T33: 0.1218 T12: -0.0896 -REMARK 3 T13: -0.1200 T23: 0.0035 -REMARK 3 L TENSOR -REMARK 3 L11: 2.4309 L22: 1.6265 -REMARK 3 L33: 2.3861 L12: 0.8912 -REMARK 3 L13: -0.6347 L23: -0.5413 -REMARK 3 S TENSOR -REMARK 3 S11: -0.0052 S12: -0.2520 S13: 0.3507 -REMARK 3 S21: 0.2989 S22: -0.1588 S23: -0.0559 -REMARK 3 S31: -0.5636 S32: 0.3350 S33: 0.1639 -REMARK 3 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : MASK -REMARK 3 PARAMETERS FOR MASK CALCULATION -REMARK 3 VDW PROBE RADIUS : 1.10 -REMARK 3 ION PROBE RADIUS : 0.80 -REMARK 3 SHRINKAGE RADIUS : 0.80 -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: -REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS -REMARK 3 U VALUES : RESIDUAL ONLY -REMARK 3 -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 14-NOV-04 -REMARK 200 TEMPERATURE (KELVIN) : 100.0 -REMARK 200 PH : 5.6 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : NSLS -REMARK 200 BEAMLINE : X29A -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.1000 -REMARK 200 MONOCHROMATOR : SAGITALLY FOCUSED SI(111) -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 29401 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.280 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 -REMARK 200 DATA REDUNDANCY : 9.000 -REMARK 200 R MERGE (I) : NULL -REMARK 200 R SYM (I) : 0.06200 -REMARK 200 FOR THE DATA SET : 36.7000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.36 -REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : 0.36400 -REMARK 200 FOR SHELL : 4.200 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS -REMARK 200 SOFTWARE USED: CNS -REMARK 200 STARTING MODEL: PDB ENTRY 1RSZ -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 76.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.70 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NA CITRATE, AMMONIUM SULFATE, PH 5.6, -REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC -REMARK 350 SOFTWARE USED: PISA,PQS -REMARK 350 TOTAL BURIED SURFACE AREA: 10790 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 30310 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -129.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 -REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 -REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 -REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 -REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 -REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 -SEQRES 1 A 289 MET GLU ASN GLY TYR THR TYR GLU ASP TYR LYS ASN THR -SEQRES 2 A 289 ALA GLU TRP LEU LEU SER HIS THR LYS HIS ARG PRO GLN -SEQRES 3 A 289 VAL ALA ILE ILE CYS GLY SER GLY LEU GLY GLY LEU THR -SEQRES 4 A 289 ASP LYS LEU THR GLN ALA GLN ILE PHE ASP TYR SER GLU -SEQRES 5 A 289 ILE PRO ASN PHE PRO ARG SER THR VAL PRO GLY HIS ALA -SEQRES 6 A 289 GLY ARG LEU VAL PHE GLY PHE LEU ASN GLY ARG ALA CYS -SEQRES 7 A 289 VAL MET MET GLN GLY ARG PHE HIS MET TYR GLU GLY TYR -SEQRES 8 A 289 PRO LEU TRP LYS VAL THR PHE PRO VAL ARG VAL PHE HIS -SEQRES 9 A 289 LEU LEU GLY VAL ASP THR LEU VAL VAL THR ASN ALA ALA -SEQRES 10 A 289 GLY GLY LEU ASN PRO LYS PHE GLU VAL GLY ASP ILE MET -SEQRES 11 A 289 LEU ILE ARG ASP HIS ILE ASN LEU PRO GLY PHE SER GLY -SEQRES 12 A 289 GLN ASN PRO LEU ARG GLY PRO ASN ASP GLU ARG PHE GLY -SEQRES 13 A 289 ASP ARG PHE PRO ALA MET SER ASP ALA TYR ASP ARG THR -SEQRES 14 A 289 MET ARG GLN ARG ALA LEU SER THR TRP LYS GLN MET GLY -SEQRES 15 A 289 GLU GLN ARG GLU LEU GLN GLU GLY THR TYR VAL MET VAL -SEQRES 16 A 289 ALA GLY PRO SER PHE GLU THR VAL ALA GLU CYS ARG VAL -SEQRES 17 A 289 LEU GLN LYS LEU GLY ALA ASP ALA VAL GLY MET SER THR -SEQRES 18 A 289 VAL PRO GLU VAL ILE VAL ALA ARG HIS CYS GLY LEU ARG -SEQRES 19 A 289 VAL PHE GLY PHE SER LEU ILE THR ASN LYS VAL ILE MET -SEQRES 20 A 289 ASP TYR GLU SER LEU GLU LYS ALA ASN PHE GLU GLU VAL -SEQRES 21 A 289 LEU ALA ALA GLY LYS GLN ALA ALA GLN LYS LEU GLU GLN -SEQRES 22 A 289 PHE VAL SER ILE LEU MET ALA SER ILE PRO LEU PRO ASP -SEQRES 23 A 289 LYS ALA SER -CISPEP 1 GLY A 197 PRO A 198 0.00 -CRYST1 141.764 141.764 166.172 90.00 90.00 120.00 H 3 2 -SCALE1 0.007054 0.004073 0.000000 0.00000 -SCALE2 -0.000000 0.008145 0.000000 0.00000 -SCALE3 0.000000 -0.000000 0.006018 0.00000 -ATOM 1 N ASN A 3 10.242 -0.365 7.518 1.00 40.68 N -ATOM 2 CA ASN A 3 11.134 0.876 7.432 1.00 46.99 C -ATOM 3 CB ASN A 3 12.498 0.769 8.145 1.00 44.57 C -ATOM 4 CG ASN A 3 13.402 2.002 8.039 1.00 52.80 C -ATOM 5 OD1 ASN A 3 13.070 3.043 7.468 1.00 48.48 O -ATOM 6 ND2 ASN A 3 14.600 1.907 8.572 1.00 49.55 N -ATOM 7 C ASN A 3 11.284 1.193 5.943 1.00 46.73 C -ATOM 8 O ASN A 3 11.624 0.283 5.177 1.00 43.09 O -ATOM 9 N GLY A 4 10.925 2.407 5.542 1.00 45.14 N -ATOM 10 CA GLY A 4 10.999 2.789 4.130 1.00 44.50 C -ATOM 11 C GLY A 4 12.438 3.102 3.762 1.00 39.40 C -ATOM 12 O GLY A 4 12.652 3.246 2.576 1.00 39.52 O -ATOM 13 N TYR A 5 13.358 3.321 4.734 1.00 33.00 N -ATOM 14 CA TYR A 5 14.724 3.822 4.427 1.00 31.84 C -ATOM 15 CB TYR A 5 15.235 4.863 5.423 1.00 28.19 C -ATOM 16 CG TYR A 5 14.525 6.189 5.430 1.00 27.68 C -ATOM 17 CD1 TYR A 5 14.544 7.058 4.338 1.00 27.94 C -ATOM 18 CE1 TYR A 5 13.850 8.263 4.358 1.00 25.47 C -ATOM 19 CZ TYR A 5 13.187 8.639 5.518 1.00 27.88 C -ATOM 20 OH TYR A 5 12.540 9.829 5.680 1.00 30.01 O -ATOM 21 CE2 TYR A 5 13.175 7.797 6.606 1.00 28.96 C -ATOM 22 CD2 TYR A 5 13.850 6.592 6.564 1.00 28.08 C -ATOM 23 C TYR A 5 15.688 2.630 4.354 1.00 32.10 C -ATOM 24 O TYR A 5 15.512 1.721 5.129 1.00 34.77 O -ATOM 25 N THR A 6 16.644 2.660 3.425 1.00 28.46 N -ATOM 26 CA THR A 6 17.733 1.665 3.285 1.00 30.15 C -ATOM 27 CB THR A 6 18.007 1.303 1.818 1.00 32.25 C -ATOM 28 OG1 THR A 6 18.527 2.493 1.233 1.00 34.93 O -ATOM 29 CG2 THR A 6 16.788 0.945 1.011 1.00 42.12 C -ATOM 30 C THR A 6 18.987 2.347 3.819 1.00 28.48 C -ATOM 31 O THR A 6 19.020 3.591 3.836 1.00 30.34 O -ATOM 32 N TYR A 7 20.020 1.580 4.134 1.00 25.50 N -ATOM 33 CA TYR A 7 21.248 2.118 4.733 1.00 23.91 C -ATOM 34 CB TYR A 7 22.250 0.993 4.934 1.00 25.26 C -ATOM 35 CG TYR A 7 23.520 1.527 5.535 1.00 29.01 C -ATOM 36 CD1 TYR A 7 23.585 1.861 6.877 1.00 29.89 C -ATOM 37 CE1 TYR A 7 24.746 2.379 7.428 1.00 33.95 C -ATOM 38 CZ TYR A 7 25.865 2.533 6.635 1.00 34.40 C -ATOM 39 OH TYR A 7 27.020 3.031 7.147 1.00 51.13 O -ATOM 40 CE2 TYR A 7 25.805 2.229 5.286 1.00 41.02 C -ATOM 41 CD2 TYR A 7 24.631 1.735 4.747 1.00 29.69 C -ATOM 42 C TYR A 7 21.739 3.267 3.850 1.00 25.21 C -ATOM 43 O TYR A 7 22.140 4.326 4.367 1.00 24.78 O -ATOM 44 N GLU A 8 21.657 3.089 2.529 1.00 29.33 N -ATOM 45 CA GLU A 8 22.230 4.031 1.541 1.00 26.19 C -ATOM 46 CB GLU A 8 22.246 3.355 0.174 1.00 26.58 C -ATOM 47 CG GLU A 8 23.386 2.352 0.053 1.00 29.31 C -ATOM 48 CD GLU A 8 23.782 2.014 -1.375 1.00 34.42 C -ATOM 49 OE1 GLU A 8 22.891 1.985 -2.248 1.00 37.53 O -ATOM 50 OE2 GLU A 8 24.989 1.811 -1.625 1.00 40.84 O -ATOM 51 C GLU A 8 21.471 5.367 1.581 1.00 28.60 C -ATOM 52 O GLU A 8 22.099 6.366 1.248 1.00 30.65 O -ATOM 53 N ASP A 9 20.190 5.394 2.004 1.00 27.77 N -ATOM 54 CA ASP A 9 19.395 6.645 2.089 1.00 26.16 C -ATOM 55 CB ASP A 9 17.904 6.362 2.347 1.00 28.15 C -ATOM 56 CG ASP A 9 17.178 5.734 1.158 1.00 29.91 C -ATOM 57 OD1 ASP A 9 17.522 6.076 0.015 1.00 28.91 O -ATOM 58 OD2 ASP A 9 16.277 4.899 1.395 1.00 28.76 O -ATOM 59 C ASP A 9 20.034 7.509 3.181 1.00 25.20 C -ATOM 60 O ASP A 9 20.217 8.695 2.972 1.00 23.10 O -ATOM 61 N TYR A 10 20.344 6.913 4.332 1.00 28.73 N -ATOM 62 CA TYR A 10 20.988 7.616 5.464 1.00 24.87 C -ATOM 63 CB TYR A 10 21.170 6.678 6.649 1.00 22.24 C -ATOM 64 CG TYR A 10 19.915 6.091 7.229 1.00 25.41 C -ATOM 65 CD1 TYR A 10 19.046 6.851 7.993 1.00 26.85 C -ATOM 66 CE1 TYR A 10 17.905 6.287 8.547 1.00 31.81 C -ATOM 67 CZ TYR A 10 17.640 4.936 8.370 1.00 31.31 C -ATOM 68 OH TYR A 10 16.534 4.363 8.911 1.00 29.63 O -ATOM 69 CE2 TYR A 10 18.500 4.159 7.619 1.00 25.96 C -ATOM 70 CD2 TYR A 10 19.609 4.747 7.032 1.00 28.15 C -ATOM 71 C TYR A 10 22.329 8.154 4.984 1.00 31.58 C -ATOM 72 O TYR A 10 22.630 9.340 5.277 1.00 33.23 O -ATOM 73 N LYS A 11 23.072 7.314 4.238 1.00 31.78 N -ATOM 74 CA LYS A 11 24.451 7.595 3.767 1.00 31.53 C -ATOM 75 CB LYS A 11 25.063 6.349 3.115 1.00 39.02 C -ATOM 76 CG LYS A 11 26.572 6.191 3.232 1.00 54.56 C -ATOM 77 CD LYS A 11 26.959 5.223 4.345 1.00 68.76 C -ATOM 78 CE LYS A 11 28.448 4.947 4.445 1.00 69.45 C -ATOM 79 NZ LYS A 11 29.177 6.053 5.106 1.00 64.61 N -ATOM 80 C LYS A 11 24.359 8.764 2.799 1.00 30.25 C -ATOM 81 O LYS A 11 25.183 9.687 2.894 1.00 24.99 O -ATOM 82 N ASN A 12 23.393 8.709 1.876 1.00 33.12 N -ATOM 83 CA ASN A 12 23.269 9.722 0.803 1.00 27.79 C -ATOM 84 CB ASN A 12 22.189 9.342 -0.210 1.00 30.18 C -ATOM 85 CG ASN A 12 22.583 8.217 -1.147 1.00 30.18 C -ATOM 86 OD1 ASN A 12 23.751 7.881 -1.290 1.00 28.70 O -ATOM 87 ND2 ASN A 12 21.591 7.609 -1.768 1.00 25.60 N -ATOM 88 C ASN A 12 22.975 11.055 1.491 1.00 27.01 C -ATOM 89 O ASN A 12 23.523 12.045 1.056 1.00 25.31 O -ATOM 90 N THR A 13 22.146 11.055 2.551 1.00 27.64 N -ATOM 91 CA THR A 13 21.715 12.299 3.226 1.00 27.40 C -ATOM 92 CB THR A 13 20.521 12.068 4.154 1.00 27.05 C -ATOM 93 OG1 THR A 13 19.417 11.708 3.322 1.00 25.64 O -ATOM 94 CG2 THR A 13 20.192 13.298 4.969 1.00 25.02 C -ATOM 95 C THR A 13 22.928 12.866 3.958 1.00 25.76 C -ATOM 96 O THR A 13 23.192 14.077 3.820 1.00 23.05 O -ATOM 97 N ALA A 14 23.697 11.997 4.615 1.00 27.11 N -ATOM 98 CA ALA A 14 24.913 12.413 5.343 1.00 28.15 C -ATOM 99 CB ALA A 14 25.488 11.248 6.102 1.00 29.22 C -ATOM 100 C ALA A 14 25.896 13.023 4.346 1.00 28.67 C -ATOM 101 O ALA A 14 26.411 14.143 4.619 1.00 31.40 O -ATOM 102 N GLU A 15 26.139 12.347 3.215 1.00 35.66 N -ATOM 103 CA GLU A 15 27.152 12.788 2.210 1.00 32.30 C -ATOM 104 CB GLU A 15 27.416 11.688 1.175 1.00 34.74 C -ATOM 105 CG GLU A 15 28.149 10.495 1.790 1.00 48.10 C -ATOM 106 CD GLU A 15 28.415 9.283 0.902 1.00 55.81 C -ATOM 107 OE1 GLU A 15 27.710 9.113 -0.109 1.00 65.66 O -ATOM 108 OE2 GLU A 15 29.332 8.498 1.235 1.00 64.33 O -ATOM 109 C GLU A 15 26.670 14.111 1.615 1.00 26.93 C -ATOM 110 O GLU A 15 27.487 14.997 1.392 1.00 31.41 O -ATOM 111 N TRP A 16 25.361 14.281 1.442 1.00 28.60 N -ATOM 112 CA TRP A 16 24.837 15.554 0.902 1.00 29.72 C -ATOM 113 CB TRP A 16 23.344 15.458 0.621 1.00 28.25 C -ATOM 114 CG TRP A 16 22.841 16.672 -0.087 1.00 30.98 C -ATOM 115 CD1 TRP A 16 22.777 16.849 -1.443 1.00 30.17 C -ATOM 116 NE1 TRP A 16 22.257 18.082 -1.726 1.00 29.37 N -ATOM 117 CE2 TRP A 16 21.935 18.720 -0.559 1.00 31.59 C -ATOM 118 CD2 TRP A 16 22.324 17.876 0.507 1.00 26.52 C -ATOM 119 CE3 TRP A 16 22.117 18.315 1.816 1.00 27.94 C -ATOM 120 CZ3 TRP A 16 21.554 19.553 2.023 1.00 30.63 C -ATOM 121 CH2 TRP A 16 21.222 20.388 0.952 1.00 30.62 C -ATOM 122 CZ2 TRP A 16 21.390 19.986 -0.352 1.00 29.31 C -ATOM 123 C TRP A 16 25.182 16.670 1.890 1.00 29.43 C -ATOM 124 O TRP A 16 25.713 17.694 1.441 1.00 24.43 O -ATOM 125 N LEU A 17 24.904 16.461 3.190 1.00 27.90 N -ATOM 126 CA LEU A 17 25.098 17.513 4.211 1.00 26.78 C -ATOM 127 CB LEU A 17 24.498 17.044 5.536 1.00 25.71 C -ATOM 128 CG LEU A 17 22.981 17.110 5.653 1.00 27.15 C -ATOM 129 CD1 LEU A 17 22.520 16.331 6.866 1.00 29.20 C -ATOM 130 CD2 LEU A 17 22.488 18.546 5.723 1.00 29.61 C -ATOM 131 C LEU A 17 26.604 17.809 4.311 1.00 28.11 C -ATOM 132 O LEU A 17 26.956 19.002 4.315 1.00 25.38 O -ATOM 133 N LEU A 18 27.457 16.771 4.266 1.00 28.97 N -ATOM 134 CA LEU A 18 28.916 16.907 4.500 1.00 27.56 C -ATOM 135 CB LEU A 18 29.625 15.549 4.612 1.00 26.72 C -ATOM 136 CG LEU A 18 29.396 14.762 5.913 1.00 26.46 C -ATOM 137 CD1 LEU A 18 29.874 13.330 5.767 1.00 28.31 C -ATOM 138 CD2 LEU A 18 30.080 15.395 7.108 1.00 25.81 C -ATOM 139 C LEU A 18 29.482 17.729 3.353 1.00 34.70 C -ATOM 140 O LEU A 18 30.441 18.466 3.615 1.00 26.82 O -ATOM 141 N SER A 19 28.920 17.638 2.139 1.00 31.29 N -ATOM 142 CA SER A 19 29.506 18.372 0.989 1.00 28.88 C -ATOM 143 CB SER A 19 29.386 17.607 -0.294 1.00 27.68 C -ATOM 144 OG SER A 19 28.030 17.461 -0.621 1.00 33.11 O -ATOM 145 C SER A 19 28.861 19.754 0.877 1.00 27.74 C -ATOM 146 O SER A 19 29.305 20.498 0.031 1.00 29.09 O -ATOM 147 N HIS A 20 27.841 20.085 1.675 1.00 31.60 N -ATOM 148 CA HIS A 20 27.116 21.382 1.559 1.00 28.65 C -ATOM 149 CB HIS A 20 25.614 21.155 1.330 1.00 27.92 C -ATOM 150 CG HIS A 20 25.282 20.721 -0.060 1.00 28.39 C -ATOM 151 ND1 HIS A 20 25.025 21.621 -1.079 1.00 28.54 N -ATOM 152 CE1 HIS A 20 24.797 20.965 -2.196 1.00 31.81 C -ATOM 153 NE2 HIS A 20 24.906 19.659 -1.940 1.00 30.74 N -ATOM 154 CD2 HIS A 20 25.238 19.499 -0.622 1.00 27.81 C -ATOM 155 C HIS A 20 27.430 22.275 2.766 1.00 28.66 C -ATOM 156 O HIS A 20 26.994 23.439 2.765 1.00 27.76 O -ATOM 157 N THR A 21 28.186 21.780 3.745 1.00 28.12 N -ATOM 158 CA THR A 21 28.706 22.612 4.857 1.00 29.35 C -ATOM 159 CB THR A 21 27.816 22.501 6.100 1.00 30.89 C -ATOM 160 OG1 THR A 21 28.263 23.479 7.035 1.00 35.38 O -ATOM 161 CG2 THR A 21 27.858 21.123 6.720 1.00 28.13 C -ATOM 162 C THR A 21 30.140 22.174 5.140 1.00 28.30 C -ATOM 163 O THR A 21 30.447 20.989 4.952 1.00 35.56 O -ATOM 164 N LYS A 22 30.957 23.096 5.624 1.00 34.48 N -ATOM 165 CA LYS A 22 32.307 22.820 6.164 1.00 37.18 C -ATOM 166 CB LYS A 22 33.168 24.080 6.085 1.00 40.71 C -ATOM 167 CG LYS A 22 33.296 24.685 4.691 1.00 51.41 C -ATOM 168 CD LYS A 22 34.498 24.181 3.912 1.00 61.44 C -ATOM 169 CE LYS A 22 34.431 24.496 2.431 1.00 64.60 C -ATOM 170 NZ LYS A 22 34.418 25.956 2.186 1.00 67.22 N -ATOM 171 C LYS A 22 32.143 22.348 7.610 1.00 36.02 C -ATOM 172 O LYS A 22 33.101 21.760 8.137 1.00 38.51 O -ATOM 173 N HIS A 23 30.970 22.576 8.217 1.00 29.44 N -ATOM 174 CA HIS A 23 30.709 22.202 9.626 1.00 31.33 C -ATOM 175 CB HIS A 23 29.390 22.794 10.158 1.00 31.12 C -ATOM 176 CG HIS A 23 29.456 24.261 10.400 1.00 26.04 C -ATOM 177 ND1 HIS A 23 28.975 25.177 9.480 1.00 29.15 N -ATOM 178 CE1 HIS A 23 29.192 26.391 9.936 1.00 32.83 C -ATOM 179 NE2 HIS A 23 29.821 26.293 11.124 1.00 29.16 N -ATOM 180 CD2 HIS A 23 29.990 24.973 11.416 1.00 29.01 C -ATOM 181 C HIS A 23 30.776 20.671 9.740 1.00 30.92 C -ATOM 182 O HIS A 23 30.253 19.959 8.831 1.00 26.15 O -ATOM 183 N ARG A 24 31.414 20.210 10.820 1.00 29.72 N -ATOM 184 CA ARG A 24 31.617 18.791 11.193 1.00 27.06 C -ATOM 185 CB ARG A 24 33.086 18.382 10.993 1.00 29.87 C -ATOM 186 CG ARG A 24 33.572 18.404 9.543 1.00 31.54 C -ATOM 187 CD ARG A 24 32.757 17.440 8.681 1.00 32.53 C -ATOM 188 NE ARG A 24 33.109 17.435 7.264 1.00 33.60 N -ATOM 189 CZ ARG A 24 32.471 18.076 6.280 1.00 30.16 C -ATOM 190 NH1 ARG A 24 31.412 18.841 6.499 1.00 28.33 N -ATOM 191 NH2 ARG A 24 32.925 17.950 5.052 1.00 29.73 N -ATOM 192 C ARG A 24 31.139 18.709 12.630 1.00 26.03 C -ATOM 193 O ARG A 24 31.872 19.041 13.538 1.00 25.14 O -ATOM 194 N PRO A 25 29.865 18.365 12.875 1.00 26.77 N -ATOM 195 CA PRO A 25 29.308 18.458 14.218 1.00 27.23 C -ATOM 196 CB PRO A 25 27.796 18.466 13.948 1.00 25.99 C -ATOM 197 CG PRO A 25 27.654 17.567 12.728 1.00 25.77 C -ATOM 198 CD PRO A 25 28.884 17.880 11.892 1.00 26.02 C -ATOM 199 C PRO A 25 29.741 17.268 15.085 1.00 29.81 C -ATOM 200 O PRO A 25 29.897 16.160 14.577 1.00 29.95 O -ATOM 201 N GLN A 26 29.934 17.544 16.373 1.00 30.26 N -ATOM 202 CA GLN A 26 30.133 16.540 17.438 1.00 29.10 C -ATOM 203 CB GLN A 26 31.242 17.028 18.363 1.00 26.86 C -ATOM 204 CG GLN A 26 31.699 15.957 19.330 1.00 29.51 C -ATOM 205 CD GLN A 26 32.335 16.524 20.576 1.00 31.32 C -ATOM 206 OE1 GLN A 26 32.873 17.632 20.578 1.00 32.09 O -ATOM 207 NE2 GLN A 26 32.253 15.758 21.649 1.00 28.96 N -ATOM 208 C GLN A 26 28.829 16.316 18.216 1.00 26.71 C -ATOM 209 O GLN A 26 28.566 15.157 18.609 1.00 26.12 O -ATOM 210 N VAL A 27 28.055 17.377 18.467 1.00 25.09 N -ATOM 211 CA VAL A 27 26.834 17.321 19.317 1.00 24.23 C -ATOM 212 CB VAL A 27 26.962 18.280 20.506 1.00 25.03 C -ATOM 213 CG1 VAL A 27 25.854 18.045 21.507 1.00 27.42 C -ATOM 214 CG2 VAL A 27 28.323 18.136 21.171 1.00 26.31 C -ATOM 215 C VAL A 27 25.594 17.635 18.474 1.00 27.08 C -ATOM 216 O VAL A 27 25.582 18.705 17.819 1.00 22.71 O -ATOM 217 N ALA A 28 24.576 16.753 18.522 1.00 27.21 N -ATOM 218 CA ALA A 28 23.233 17.019 17.955 1.00 29.01 C -ATOM 219 CB ALA A 28 22.676 15.806 17.231 1.00 29.17 C -ATOM 220 C ALA A 28 22.328 17.476 19.105 1.00 28.14 C -ATOM 221 O ALA A 28 22.357 16.854 20.191 1.00 26.87 O -ATOM 222 N ILE A 29 21.582 18.559 18.887 1.00 28.52 N -ATOM 223 CA ILE A 29 20.648 19.130 19.897 1.00 28.41 C -ATOM 224 CB ILE A 29 21.093 20.531 20.358 1.00 29.57 C -ATOM 225 CG1 ILE A 29 22.556 20.550 20.822 1.00 28.43 C -ATOM 226 CG2 ILE A 29 20.136 21.051 21.424 1.00 32.68 C -ATOM 227 CD1 ILE A 29 22.956 21.811 21.536 1.00 29.02 C -ATOM 228 C ILE A 29 19.247 19.154 19.267 1.00 27.41 C -ATOM 229 O ILE A 29 19.076 19.816 18.221 1.00 23.24 O -ATOM 230 N ILE A 30 18.291 18.446 19.872 1.00 25.54 N -ATOM 231 CA ILE A 30 16.877 18.468 19.434 1.00 26.59 C -ATOM 232 CB ILE A 30 16.256 17.068 19.394 1.00 27.38 C -ATOM 233 CG1 ILE A 30 17.042 16.151 18.456 1.00 26.81 C -ATOM 234 CG2 ILE A 30 14.806 17.176 18.926 1.00 30.61 C -ATOM 235 CD1 ILE A 30 16.460 14.763 18.356 1.00 31.13 C -ATOM 236 C ILE A 30 16.147 19.448 20.340 1.00 25.93 C -ATOM 237 O ILE A 30 16.142 19.234 21.553 1.00 27.53 O -ATOM 238 N CYS A 31 15.711 20.569 19.769 1.00 27.15 N -ATOM 239 CA CYS A 31 15.005 21.653 20.494 1.00 28.28 C -ATOM 240 CB CYS A 31 15.146 22.976 19.762 1.00 26.79 C -ATOM 241 SG CYS A 31 16.874 23.491 19.543 1.00 30.33 S -ATOM 242 C CYS A 31 13.542 21.232 20.636 1.00 30.93 C -ATOM 243 O CYS A 31 12.924 20.898 19.602 1.00 34.98 O -ATOM 244 N GLY A 32 13.023 21.225 21.864 1.00 37.76 N -ATOM 245 CA GLY A 32 11.609 20.926 22.132 1.00 39.61 C -ATOM 246 C GLY A 32 10.731 22.116 21.810 1.00 38.66 C -ATOM 247 O GLY A 32 11.284 23.179 21.385 1.00 40.68 O -ATOM 248 N SER A 33 9.420 21.973 22.044 1.00 41.55 N -ATOM 249 CA SER A 33 8.430 23.076 21.919 1.00 41.02 C -ATOM 250 CB SER A 33 7.050 22.602 22.294 1.00 43.38 C -ATOM 251 OG SER A 33 6.127 23.675 22.228 1.00 51.56 O -ATOM 252 C SER A 33 8.896 24.271 22.776 1.00 41.06 C -ATOM 253 O SER A 33 9.190 24.053 24.003 1.00 35.98 O -ATOM 254 N GLY A 34 9.010 25.462 22.148 1.00 36.69 N -ATOM 255 CA GLY A 34 9.324 26.760 22.783 1.00 38.06 C -ATOM 256 C GLY A 34 10.785 26.876 23.204 1.00 37.13 C -ATOM 257 O GLY A 34 11.081 27.762 24.010 1.00 37.66 O -ATOM 258 N LEU A 35 11.665 25.997 22.698 1.00 41.49 N -ATOM 259 CA LEU A 35 13.125 25.979 22.999 1.00 39.95 C -ATOM 260 CB LEU A 35 13.500 24.613 23.577 1.00 48.49 C -ATOM 261 CG LEU A 35 13.165 24.375 25.052 1.00 50.92 C -ATOM 262 CD1 LEU A 35 11.840 25.011 25.463 1.00 50.55 C -ATOM 263 CD2 LEU A 35 13.155 22.875 25.358 1.00 47.47 C -ATOM 264 C LEU A 35 13.926 26.275 21.725 1.00 43.76 C -ATOM 265 O LEU A 35 15.180 26.270 21.826 1.00 34.67 O -ATOM 266 N GLY A 36 13.226 26.514 20.591 1.00 35.64 N -ATOM 267 CA GLY A 36 13.735 27.040 19.309 1.00 34.24 C -ATOM 268 C GLY A 36 14.836 28.090 19.446 1.00 33.60 C -ATOM 269 O GLY A 36 15.842 27.949 18.732 1.00 34.45 O -ATOM 270 N GLY A 37 14.656 29.118 20.282 1.00 41.06 N -ATOM 271 CA GLY A 37 15.631 30.213 20.507 1.00 40.34 C -ATOM 272 C GLY A 37 17.087 29.742 20.617 1.00 40.76 C -ATOM 273 O GLY A 37 17.973 30.514 20.193 1.00 41.01 O -ATOM 274 N LEU A 38 17.339 28.519 21.127 1.00 39.29 N -ATOM 275 CA LEU A 38 18.690 27.943 21.359 1.00 38.85 C -ATOM 276 CB LEU A 38 18.512 26.470 21.740 1.00 41.81 C -ATOM 277 CG LEU A 38 19.736 25.680 22.220 1.00 55.82 C -ATOM 278 CD1 LEU A 38 20.941 26.556 22.536 1.00 60.77 C -ATOM 279 CD2 LEU A 38 19.366 24.839 23.438 1.00 64.80 C -ATOM 280 C LEU A 38 19.549 28.153 20.105 1.00 40.64 C -ATOM 281 O LEU A 38 20.760 28.446 20.238 1.00 43.83 O -ATOM 282 N THR A 39 18.908 28.150 18.938 1.00 41.75 N -ATOM 283 CA THR A 39 19.533 28.274 17.600 1.00 41.34 C -ATOM 284 CB THR A 39 18.473 27.981 16.529 1.00 46.34 C -ATOM 285 OG1 THR A 39 19.161 27.760 15.303 1.00 59.10 O -ATOM 286 CG2 THR A 39 17.468 29.101 16.380 1.00 42.26 C -ATOM 287 C THR A 39 20.209 29.643 17.449 1.00 37.14 C -ATOM 288 O THR A 39 21.187 29.714 16.674 1.00 34.79 O -ATOM 289 N ASP A 40 19.729 30.674 18.163 1.00 39.21 N -ATOM 290 CA ASP A 40 20.225 32.074 18.084 1.00 39.19 C -ATOM 291 CB ASP A 40 19.271 33.057 18.768 1.00 43.90 C -ATOM 292 CG ASP A 40 17.883 33.096 18.165 1.00 51.29 C -ATOM 293 OD1 ASP A 40 17.768 33.445 16.967 1.00 51.03 O -ATOM 294 OD2 ASP A 40 16.931 32.792 18.903 1.00 56.73 O -ATOM 295 C ASP A 40 21.576 32.220 18.788 1.00 39.11 C -ATOM 296 O ASP A 40 22.186 33.268 18.609 1.00 32.43 O -ATOM 297 N LYS A 41 21.994 31.236 19.601 1.00 47.70 N -ATOM 298 CA LYS A 41 23.250 31.296 20.399 1.00 46.17 C -ATOM 299 CB LYS A 41 23.050 30.601 21.748 1.00 48.51 C -ATOM 300 CG LYS A 41 21.910 31.173 22.585 1.00 61.00 C -ATOM 301 CD LYS A 41 22.095 31.043 24.090 1.00 73.17 C -ATOM 302 CE LYS A 41 21.171 31.946 24.883 1.00 78.05 C -ATOM 303 NZ LYS A 41 21.338 33.375 24.516 1.00 78.19 N -ATOM 304 C LYS A 41 24.389 30.676 19.578 1.00 39.94 C -ATOM 305 O LYS A 41 25.525 30.748 20.029 1.00 35.87 O -ATOM 306 N LEU A 42 24.099 30.124 18.393 1.00 35.83 N -ATOM 307 CA LEU A 42 25.126 29.475 17.545 1.00 32.07 C -ATOM 308 CB LEU A 42 24.468 28.529 16.540 1.00 30.05 C -ATOM 309 CG LEU A 42 23.900 27.234 17.099 1.00 31.23 C -ATOM 310 CD1 LEU A 42 23.171 26.468 16.002 1.00 38.52 C -ATOM 311 CD2 LEU A 42 24.981 26.352 17.696 1.00 32.50 C -ATOM 312 C LEU A 42 25.906 30.577 16.849 1.00 30.87 C -ATOM 313 O LEU A 42 25.307 31.628 16.594 1.00 41.74 O -ATOM 314 N THR A 43 27.197 30.359 16.598 1.00 27.12 N -ATOM 315 CA THR A 43 28.057 31.273 15.813 1.00 23.11 C -ATOM 316 CB THR A 43 29.241 31.836 16.622 1.00 24.32 C -ATOM 317 OG1 THR A 43 29.958 30.716 17.142 1.00 23.21 O -ATOM 318 CG2 THR A 43 28.814 32.762 17.739 1.00 23.37 C -ATOM 319 C THR A 43 28.541 30.491 14.592 1.00 18.97 C -ATOM 320 O THR A 43 28.576 29.230 14.678 1.00 17.79 O -ATOM 321 N GLN A 44 28.953 31.208 13.547 1.00 21.31 N -ATOM 322 CA GLN A 44 29.145 30.698 12.165 1.00 27.71 C -ATOM 323 CB GLN A 44 30.506 29.999 12.075 1.00 34.03 C -ATOM 324 CG GLN A 44 31.693 30.902 12.420 1.00 40.51 C -ATOM 325 CD GLN A 44 31.690 32.222 11.686 1.00 52.60 C -ATOM 326 OE1 GLN A 44 31.089 33.206 12.121 1.00 63.74 O -ATOM 327 NE2 GLN A 44 32.394 32.265 10.566 1.00 62.11 N -ATOM 328 C GLN A 44 27.979 29.779 11.748 1.00 25.34 C -ATOM 329 O GLN A 44 28.259 28.752 11.134 1.00 30.50 O -ATOM 330 N ALA A 45 26.729 30.152 12.063 1.00 23.79 N -ATOM 331 CA ALA A 45 25.495 29.366 11.852 1.00 24.61 C -ATOM 332 CB ALA A 45 24.301 30.067 12.457 1.00 23.20 C -ATOM 333 C ALA A 45 25.308 29.125 10.355 1.00 25.86 C -ATOM 334 O ALA A 45 25.559 30.045 9.566 1.00 25.88 O -ATOM 335 N GLN A 46 24.902 27.914 9.982 1.00 28.38 N -ATOM 336 CA GLN A 46 24.544 27.586 8.590 1.00 28.65 C -ATOM 337 CB GLN A 46 25.643 26.802 7.884 1.00 29.85 C -ATOM 338 CG GLN A 46 25.332 26.644 6.403 1.00 34.50 C -ATOM 339 CD GLN A 46 26.442 25.951 5.664 1.00 37.89 C -ATOM 340 OE1 GLN A 46 27.561 25.830 6.162 1.00 39.41 O -ATOM 341 NE2 GLN A 46 26.123 25.477 4.476 1.00 37.07 N -ATOM 342 C GLN A 46 23.203 26.857 8.638 1.00 27.35 C -ATOM 343 O GLN A 46 23.114 25.849 9.360 1.00 23.32 O -ATOM 344 N ILE A 47 22.196 27.398 7.940 1.00 26.32 N -ATOM 345 CA ILE A 47 20.784 26.921 8.038 1.00 27.88 C -ATOM 346 CB ILE A 47 19.790 28.098 8.177 1.00 27.54 C -ATOM 347 CG1 ILE A 47 20.004 28.881 9.473 1.00 28.45 C -ATOM 348 CG2 ILE A 47 18.358 27.598 8.071 1.00 27.76 C -ATOM 349 CD1 ILE A 47 19.548 30.308 9.407 1.00 30.31 C -ATOM 350 C ILE A 47 20.485 26.076 6.799 1.00 26.97 C -ATOM 351 O ILE A 47 20.810 26.548 5.693 1.00 24.19 O -ATOM 352 N PHE A 48 19.869 24.906 7.004 1.00 27.18 N -ATOM 353 CA PHE A 48 19.191 24.089 5.964 1.00 25.75 C -ATOM 354 CB PHE A 48 19.833 22.711 5.798 1.00 26.15 C -ATOM 355 CG PHE A 48 21.251 22.732 5.295 1.00 29.85 C -ATOM 356 CD1 PHE A 48 22.310 22.793 6.189 1.00 29.59 C -ATOM 357 CE1 PHE A 48 23.614 22.806 5.736 1.00 29.79 C -ATOM 358 CZ PHE A 48 23.873 22.774 4.383 1.00 35.88 C -ATOM 359 CD2 PHE A 48 21.525 22.696 3.940 1.00 28.37 C -ATOM 360 CE2 PHE A 48 22.831 22.711 3.485 1.00 30.29 C -ATOM 361 C PHE A 48 17.729 23.881 6.369 1.00 23.21 C -ATOM 362 O PHE A 48 17.469 23.371 7.460 1.00 22.77 O -ATOM 363 N ASP A 49 16.791 24.194 5.474 1.00 28.05 N -ATOM 364 CA ASP A 49 15.359 23.829 5.650 1.00 23.91 C -ATOM 365 CB ASP A 49 14.474 24.564 4.638 1.00 25.69 C -ATOM 366 CG ASP A 49 14.443 26.066 4.883 1.00 31.30 C -ATOM 367 OD1 ASP A 49 14.510 26.478 6.056 1.00 43.39 O -ATOM 368 OD2 ASP A 49 14.355 26.817 3.907 1.00 46.31 O -ATOM 369 C ASP A 49 15.308 22.319 5.520 1.00 19.98 C -ATOM 370 O ASP A 49 16.032 21.780 4.671 1.00 21.28 O -ATOM 371 N TYR A 50 14.518 21.647 6.345 1.00 20.85 N -ATOM 372 CA TYR A 50 14.287 20.199 6.197 1.00 23.85 C -ATOM 373 CB TYR A 50 13.190 19.762 7.164 1.00 24.29 C -ATOM 374 CG TYR A 50 13.575 19.788 8.623 1.00 24.90 C -ATOM 375 CD1 TYR A 50 14.893 19.925 9.043 1.00 27.71 C -ATOM 376 CE1 TYR A 50 15.224 19.923 10.387 1.00 27.21 C -ATOM 377 CZ TYR A 50 14.230 19.814 11.340 1.00 29.93 C -ATOM 378 OH TYR A 50 14.519 19.855 12.669 1.00 32.69 O -ATOM 379 CE2 TYR A 50 12.910 19.672 10.939 1.00 30.53 C -ATOM 380 CD2 TYR A 50 12.603 19.649 9.595 1.00 25.37 C -ATOM 381 C TYR A 50 13.999 19.917 4.710 1.00 25.53 C -ATOM 382 O TYR A 50 14.564 18.942 4.167 1.00 26.08 O -ATOM 383 N SER A 51 13.250 20.809 4.050 1.00 23.97 N -ATOM 384 CA SER A 51 12.670 20.586 2.712 1.00 27.49 C -ATOM 385 CB SER A 51 11.740 21.702 2.367 1.00 27.11 C -ATOM 386 OG SER A 51 12.415 22.945 2.436 1.00 29.35 O -ATOM 387 C SER A 51 13.800 20.430 1.689 1.00 26.51 C -ATOM 388 O SER A 51 13.560 19.814 0.657 1.00 23.14 O -ATOM 389 N GLU A 52 15.000 20.951 1.964 1.00 25.60 N -ATOM 390 CA GLU A 52 16.090 20.922 0.956 1.00 27.63 C -ATOM 391 CB GLU A 52 16.853 22.250 0.890 1.00 29.16 C -ATOM 392 CG GLU A 52 17.680 22.607 2.110 1.00 33.75 C -ATOM 393 CD GLU A 52 18.303 23.994 1.963 1.00 37.72 C -ATOM 394 OE1 GLU A 52 19.144 24.155 1.035 1.00 35.26 O -ATOM 395 OE2 GLU A 52 17.895 24.930 2.721 1.00 29.34 O -ATOM 396 C GLU A 52 16.965 19.697 1.212 1.00 24.11 C -ATOM 397 O GLU A 52 17.851 19.445 0.410 1.00 26.82 O -ATOM 398 N ILE A 53 16.719 18.932 2.279 1.00 25.34 N -ATOM 399 CA ILE A 53 17.654 17.832 2.620 1.00 24.09 C -ATOM 400 CB ILE A 53 17.916 17.737 4.130 1.00 25.77 C -ATOM 401 CG1 ILE A 53 18.320 19.083 4.726 1.00 28.16 C -ATOM 402 CG2 ILE A 53 18.957 16.672 4.407 1.00 26.76 C -ATOM 403 CD1 ILE A 53 18.416 19.046 6.229 1.00 29.20 C -ATOM 404 C ILE A 53 17.064 16.566 2.025 1.00 22.13 C -ATOM 405 O ILE A 53 15.956 16.200 2.363 1.00 21.13 O -ATOM 406 N PRO A 54 17.799 15.887 1.124 1.00 23.21 N -ATOM 407 CA PRO A 54 17.383 14.600 0.585 1.00 23.54 C -ATOM 408 CB PRO A 54 18.641 14.020 -0.080 1.00 29.31 C -ATOM 409 CG PRO A 54 19.509 15.236 -0.384 1.00 26.23 C -ATOM 410 CD PRO A 54 19.129 16.287 0.642 1.00 26.12 C -ATOM 411 C PRO A 54 16.945 13.655 1.698 1.00 25.09 C -ATOM 412 O PRO A 54 17.624 13.614 2.735 1.00 23.44 O -ATOM 413 N ASN A 55 15.815 12.972 1.459 1.00 23.72 N -ATOM 414 CA ASN A 55 15.170 11.958 2.326 1.00 22.96 C -ATOM 415 CB ASN A 55 16.184 10.863 2.653 1.00 25.03 C -ATOM 416 CG ASN A 55 16.763 10.249 1.400 1.00 28.15 C -ATOM 417 OD1 ASN A 55 16.016 10.032 0.461 1.00 32.33 O -ATOM 418 ND2 ASN A 55 18.066 9.995 1.354 1.00 26.49 N -ATOM 419 C ASN A 55 14.559 12.521 3.618 1.00 27.54 C -ATOM 420 O ASN A 55 14.021 11.696 4.395 1.00 26.14 O -ATOM 421 N PHE A 56 14.677 13.808 3.954 1.00 30.94 N -ATOM 422 CA PHE A 56 14.134 14.279 5.253 1.00 31.27 C -ATOM 423 CB PHE A 56 14.555 15.691 5.641 1.00 30.31 C -ATOM 424 CG PHE A 56 15.498 15.762 6.817 1.00 30.04 C -ATOM 425 CD1 PHE A 56 16.760 15.198 6.746 1.00 33.41 C -ATOM 426 CE1 PHE A 56 17.651 15.308 7.804 1.00 31.19 C -ATOM 427 CZ PHE A 56 17.296 16.002 8.941 1.00 30.35 C -ATOM 428 CD2 PHE A 56 15.146 16.436 7.980 1.00 30.64 C -ATOM 429 CE2 PHE A 56 16.039 16.552 9.035 1.00 31.67 C -ATOM 430 C PHE A 56 12.626 14.233 5.168 1.00 31.69 C -ATOM 431 O PHE A 56 12.059 14.600 4.153 1.00 32.53 O -ATOM 432 N PRO A 57 11.929 13.772 6.222 1.00 39.31 N -ATOM 433 CA PRO A 57 10.465 13.766 6.203 1.00 38.78 C -ATOM 434 CB PRO A 57 10.127 13.413 7.659 1.00 37.03 C -ATOM 435 CG PRO A 57 11.319 12.624 8.143 1.00 40.31 C -ATOM 436 CD PRO A 57 12.509 13.293 7.486 1.00 35.84 C -ATOM 437 C PRO A 57 9.977 15.184 5.862 1.00 35.68 C -ATOM 438 O PRO A 57 10.545 16.099 6.447 1.00 36.70 O -ATOM 439 N ARG A 58 9.039 15.380 4.930 1.00 56.76 N -ATOM 440 CA ARG A 58 8.605 16.778 4.633 1.00 74.09 C -ATOM 441 CB ARG A 58 8.182 17.009 3.174 1.00 80.83 C -ATOM 442 CG ARG A 58 8.758 18.314 2.623 1.00 84.03 C -ATOM 443 CD ARG A 58 8.133 18.914 1.369 1.00 86.57 C -ATOM 444 NE ARG A 58 8.341 20.364 1.281 1.00 75.03 N -ATOM 445 CZ ARG A 58 7.471 21.315 1.668 1.00 77.39 C -ATOM 446 NH1 ARG A 58 6.287 21.015 2.179 1.00 90.83 N -ATOM 447 NH2 ARG A 58 7.791 22.588 1.540 1.00 79.30 N -ATOM 448 C ARG A 58 7.586 17.196 5.716 1.00 78.80 C -ATOM 449 O ARG A 58 6.547 16.485 5.880 1.00 60.84 O -ATOM 450 N SER A 59 7.950 18.268 6.447 1.00 89.19 N -ATOM 451 CA SER A 59 7.315 18.877 7.651 1.00 89.32 C -ATOM 452 CB SER A 59 8.296 19.913 8.236 1.00 80.27 C -ATOM 453 OG SER A 59 7.971 20.286 9.563 1.00 81.46 O -ATOM 454 C SER A 59 5.944 19.479 7.275 1.00 71.30 C -ATOM 455 O SER A 59 5.909 20.714 7.102 1.00 64.68 O -ATOM 456 N THR A 60 4.888 18.633 7.175 1.00 91.44 N -ATOM 457 CA THR A 60 3.559 18.820 6.483 1.00 97.30 C -ATOM 458 CB THR A 60 2.680 17.559 6.620 1.00104.38 C -ATOM 459 OG1 THR A 60 2.525 17.228 8.003 1.00 84.35 O -ATOM 460 CG2 THR A 60 3.218 16.346 5.890 1.00 99.37 C -ATOM 461 C THR A 60 2.706 20.012 6.995 1.00107.16 C -ATOM 462 O THR A 60 1.604 19.736 7.541 1.00 96.37 O -ATOM 463 N VAL A 61 3.109 21.267 6.708 1.00 97.31 N -ATOM 464 CA VAL A 61 2.499 22.566 7.155 1.00 93.77 C -ATOM 465 CB VAL A 61 1.384 23.051 6.190 1.00 91.00 C -ATOM 466 CG1 VAL A 61 1.910 23.996 5.123 1.00 77.41 C -ATOM 467 CG2 VAL A 61 0.599 21.920 5.538 1.00 78.97 C -ATOM 468 C VAL A 61 1.981 22.515 8.603 1.00101.95 C -ATOM 469 O VAL A 61 0.771 22.586 8.801 1.00 88.32 O -ATOM 470 N PRO A 62 2.828 22.421 9.670 1.00128.44 N -ATOM 471 CA PRO A 62 2.468 22.955 10.993 1.00129.11 C -ATOM 472 CB PRO A 62 3.176 21.965 11.934 1.00117.54 C -ATOM 473 CG PRO A 62 4.467 21.650 11.207 1.00118.10 C -ATOM 474 CD PRO A 62 4.106 21.683 9.732 1.00124.73 C -ATOM 475 C PRO A 62 2.964 24.400 11.227 1.00131.65 C -ATOM 476 O PRO A 62 3.342 24.723 12.352 1.00115.54 O -ATOM 477 N GLY A 63 2.899 25.243 10.183 1.00130.48 N -ATOM 478 CA GLY A 63 3.583 26.548 10.062 1.00119.33 C -ATOM 479 C GLY A 63 4.523 26.547 8.860 1.00119.78 C -ATOM 480 O GLY A 63 4.447 27.512 8.065 1.00 90.31 O -ATOM 481 N HIS A 64 5.381 25.508 8.775 1.00127.42 N -ATOM 482 CA HIS A 64 6.322 25.107 7.685 1.00118.74 C -ATOM 483 CB HIS A 64 6.274 26.035 6.451 1.00120.21 C -ATOM 484 CG HIS A 64 5.419 25.524 5.339 1.00114.52 C -ATOM 485 ND1 HIS A 64 5.629 24.286 4.754 1.00105.99 N -ATOM 486 CE1 HIS A 64 4.737 24.095 3.807 1.00 95.86 C -ATOM 487 NE2 HIS A 64 3.953 25.182 3.749 1.00 93.34 N -ATOM 488 CD2 HIS A 64 4.373 26.080 4.690 1.00102.13 C -ATOM 489 C HIS A 64 7.748 24.974 8.255 1.00105.15 C -ATOM 490 O HIS A 64 8.406 23.954 7.924 1.00 63.70 O -ATOM 491 N ALA A 65 8.164 25.917 9.122 1.00103.46 N -ATOM 492 CA ALA A 65 9.567 26.228 9.495 1.00 98.08 C -ATOM 493 CB ALA A 65 9.619 27.549 10.240 1.00 96.54 C -ATOM 494 C ALA A 65 10.195 25.087 10.314 1.00 84.83 C -ATOM 495 O ALA A 65 10.286 25.239 11.566 1.00102.10 O -ATOM 496 N GLY A 66 10.654 24.022 9.630 1.00 53.41 N -ATOM 497 CA GLY A 66 11.562 22.990 10.177 1.00 35.07 C -ATOM 498 C GLY A 66 12.977 23.201 9.654 1.00 31.16 C -ATOM 499 O GLY A 66 13.137 23.228 8.425 1.00 25.63 O -ATOM 500 N ARG A 67 13.990 23.421 10.512 1.00 30.20 N -ATOM 501 CA ARG A 67 15.368 23.664 10.019 1.00 28.17 C -ATOM 502 CB ARG A 67 15.593 25.165 9.860 1.00 30.40 C -ATOM 503 CG ARG A 67 15.542 25.949 11.155 1.00 38.89 C -ATOM 504 CD ARG A 67 15.537 27.439 10.919 1.00 41.50 C -ATOM 505 NE ARG A 67 15.759 28.133 12.185 1.00 48.75 N -ATOM 506 CZ ARG A 67 16.200 29.389 12.313 1.00 51.33 C -ATOM 507 NH1 ARG A 67 16.491 30.124 11.249 1.00 52.39 N -ATOM 508 NH2 ARG A 67 16.348 29.905 13.519 1.00 47.22 N -ATOM 509 C ARG A 67 16.450 22.959 10.851 1.00 29.26 C -ATOM 510 O ARG A 67 16.271 22.684 12.077 1.00 26.10 O -ATOM 511 N LEU A 68 17.540 22.650 10.145 1.00 27.38 N -ATOM 512 CA LEU A 68 18.799 22.091 10.668 1.00 24.51 C -ATOM 513 CB LEU A 68 19.276 20.963 9.755 1.00 27.08 C -ATOM 514 CG LEU A 68 19.853 19.721 10.410 1.00 27.11 C -ATOM 515 CD1 LEU A 68 18.915 19.161 11.460 1.00 31.26 C -ATOM 516 CD2 LEU A 68 20.173 18.667 9.372 1.00 28.27 C -ATOM 517 C LEU A 68 19.762 23.267 10.689 1.00 27.05 C -ATOM 518 O LEU A 68 19.943 23.900 9.603 1.00 25.93 O -ATOM 519 N VAL A 69 20.221 23.655 11.885 1.00 23.04 N -ATOM 520 CA VAL A 69 21.216 24.763 12.041 1.00 23.04 C -ATOM 521 CB VAL A 69 20.688 25.877 12.946 1.00 22.37 C -ATOM 522 CG1 VAL A 69 21.576 27.097 12.888 1.00 22.24 C -ATOM 523 CG2 VAL A 69 19.245 26.216 12.590 1.00 23.56 C -ATOM 524 C VAL A 69 22.519 24.163 12.566 1.00 24.02 C -ATOM 525 O VAL A 69 22.468 23.429 13.606 1.00 23.21 O -ATOM 526 N PHE A 70 23.591 24.356 11.791 1.00 22.91 N -ATOM 527 CA PHE A 70 24.963 23.907 12.099 1.00 22.25 C -ATOM 528 CB PHE A 70 25.751 23.393 10.896 1.00 22.34 C -ATOM 529 CG PHE A 70 25.278 22.076 10.360 1.00 23.20 C -ATOM 530 CD1 PHE A 70 24.197 22.032 9.479 1.00 23.42 C -ATOM 531 CE1 PHE A 70 23.740 20.824 8.982 1.00 21.68 C -ATOM 532 CZ PHE A 70 24.389 19.660 9.313 1.00 27.10 C -ATOM 533 CD2 PHE A 70 25.910 20.896 10.706 1.00 23.72 C -ATOM 534 CE2 PHE A 70 25.467 19.689 10.178 1.00 24.02 C -ATOM 535 C PHE A 70 25.688 25.136 12.596 1.00 23.26 C -ATOM 536 O PHE A 70 25.470 26.228 12.004 1.00 22.55 O -ATOM 537 N GLY A 71 26.487 24.961 13.645 1.00 21.23 N -ATOM 538 CA GLY A 71 27.342 26.035 14.152 1.00 21.04 C -ATOM 539 C GLY A 71 28.089 25.627 15.400 1.00 22.00 C -ATOM 540 O GLY A 71 28.122 24.420 15.754 1.00 22.55 O -ATOM 541 N PHE A 72 28.637 26.634 16.070 1.00 25.07 N -ATOM 542 CA PHE A 72 29.434 26.482 17.303 1.00 24.78 C -ATOM 543 CB PHE A 72 30.810 27.148 17.131 1.00 27.71 C -ATOM 544 CG PHE A 72 31.656 26.527 16.037 1.00 33.65 C -ATOM 545 CD1 PHE A 72 32.334 25.327 16.253 1.00 36.01 C -ATOM 546 CE1 PHE A 72 33.122 24.762 15.255 1.00 30.79 C -ATOM 547 CZ PHE A 72 33.241 25.387 14.029 1.00 31.87 C -ATOM 548 CD2 PHE A 72 31.768 27.129 14.783 1.00 33.78 C -ATOM 549 CE2 PHE A 72 32.558 26.566 13.785 1.00 31.68 C -ATOM 550 C PHE A 72 28.557 27.010 18.441 1.00 20.97 C -ATOM 551 O PHE A 72 28.012 28.114 18.375 1.00 20.16 O -ATOM 552 N LEU A 73 28.399 26.176 19.455 1.00 22.42 N -ATOM 553 CA LEU A 73 27.757 26.531 20.728 1.00 21.39 C -ATOM 554 CB LEU A 73 26.511 25.653 20.931 1.00 21.66 C -ATOM 555 CG LEU A 73 25.693 26.065 22.149 1.00 22.45 C -ATOM 556 CD1 LEU A 73 25.182 27.485 21.984 1.00 25.17 C -ATOM 557 CD2 LEU A 73 24.580 25.085 22.441 1.00 23.80 C -ATOM 558 C LEU A 73 28.801 26.255 21.808 1.00 20.27 C -ATOM 559 O LEU A 73 29.074 25.067 22.113 1.00 17.40 O -ATOM 560 N ASN A 74 29.366 27.250 22.468 1.00 25.71 N -ATOM 561 CA ASN A 74 30.208 27.531 23.646 1.00 25.28 C -ATOM 562 CB ASN A 74 29.348 27.324 24.903 1.00 25.51 C -ATOM 563 CG ASN A 74 30.113 27.525 26.185 1.00 22.13 C -ATOM 564 OD1 ASN A 74 31.057 28.285 26.178 1.00 20.00 O -ATOM 565 ND2 ASN A 74 29.716 26.853 27.260 1.00 23.07 N -ATOM 566 C ASN A 74 31.354 26.482 23.550 1.00 26.71 C -ATOM 567 O ASN A 74 31.500 25.633 24.492 1.00 36.80 O -ATOM 568 N GLY A 75 31.975 26.431 22.348 1.00 25.96 N -ATOM 569 CA GLY A 75 33.153 25.614 21.993 1.00 28.10 C -ATOM 570 C GLY A 75 32.845 24.175 21.607 1.00 34.80 C -ATOM 571 O GLY A 75 33.744 23.314 21.825 1.00 34.40 O -ATOM 572 N ARG A 76 31.659 23.900 21.042 1.00 30.81 N -ATOM 573 CA ARG A 76 31.326 22.560 20.517 1.00 27.90 C -ATOM 574 CB ARG A 76 30.411 21.787 21.470 1.00 30.29 C -ATOM 575 CG ARG A 76 31.078 21.322 22.757 1.00 33.26 C -ATOM 576 CD ARG A 76 32.166 20.263 22.614 1.00 32.20 C -ATOM 577 NE ARG A 76 32.732 19.951 23.929 1.00 26.00 N -ATOM 578 CZ ARG A 76 33.589 20.750 24.567 1.00 29.72 C -ATOM 579 NH1 ARG A 76 34.012 21.869 23.995 1.00 28.29 N -ATOM 580 NH2 ARG A 76 34.063 20.418 25.757 1.00 29.43 N -ATOM 581 C ARG A 76 30.690 22.758 19.144 1.00 27.79 C -ATOM 582 O ARG A 76 29.760 23.585 19.031 1.00 27.41 O -ATOM 583 N ALA A 77 31.188 22.032 18.145 1.00 28.00 N -ATOM 584 CA ALA A 77 30.568 21.928 16.809 1.00 27.40 C -ATOM 585 CB ALA A 77 31.492 21.213 15.852 1.00 23.34 C -ATOM 586 C ALA A 77 29.213 21.231 17.018 1.00 28.07 C -ATOM 587 O ALA A 77 29.210 20.084 17.513 1.00 28.96 O -ATOM 588 N CYS A 78 28.115 21.972 16.807 1.00 27.54 N -ATOM 589 CA CYS A 78 26.723 21.500 16.991 1.00 29.64 C -ATOM 590 CB CYS A 78 25.913 22.418 17.891 1.00 30.88 C -ATOM 591 SG CYS A 78 26.447 22.392 19.608 1.00 46.08 S -ATOM 592 C CYS A 78 25.973 21.445 15.648 1.00 28.29 C -ATOM 593 O CYS A 78 26.295 22.226 14.701 1.00 23.08 O -ATOM 594 N VAL A 79 24.972 20.572 15.640 1.00 26.55 N -ATOM 595 CA VAL A 79 23.843 20.558 14.689 1.00 26.24 C -ATOM 596 CB VAL A 79 23.926 19.402 13.687 1.00 26.99 C -ATOM 597 CG1 VAL A 79 23.890 18.047 14.369 1.00 30.10 C -ATOM 598 CG2 VAL A 79 22.818 19.545 12.653 1.00 32.69 C -ATOM 599 C VAL A 79 22.572 20.520 15.536 1.00 24.73 C -ATOM 600 O VAL A 79 22.500 19.700 16.441 1.00 24.48 O -ATOM 601 N MET A 80 21.662 21.463 15.280 1.00 25.81 N -ATOM 602 CA MET A 80 20.421 21.669 16.047 1.00 26.09 C -ATOM 603 CB MET A 80 20.369 23.089 16.589 1.00 27.36 C -ATOM 604 CG MET A 80 21.460 23.389 17.583 1.00 37.31 C -ATOM 605 SD MET A 80 21.146 24.908 18.477 1.00 38.97 S -ATOM 606 CE MET A 80 19.493 24.584 19.058 1.00 46.69 C -ATOM 607 C MET A 80 19.219 21.447 15.114 1.00 29.35 C -ATOM 608 O MET A 80 19.201 22.012 13.964 1.00 22.43 O -ATOM 609 N MET A 81 18.258 20.666 15.604 1.00 25.61 N -ATOM 610 CA MET A 81 16.944 20.493 14.984 1.00 26.82 C -ATOM 611 CB MET A 81 16.383 19.095 15.215 1.00 31.20 C -ATOM 612 CG MET A 81 16.895 18.071 14.236 1.00 32.05 C -ATOM 613 SD MET A 81 16.090 16.456 14.487 1.00 31.91 S -ATOM 614 CE MET A 81 14.471 16.796 13.804 1.00 37.01 C -ATOM 615 C MET A 81 16.045 21.527 15.633 1.00 26.83 C -ATOM 616 O MET A 81 15.830 21.426 16.850 1.00 24.49 O -ATOM 617 N GLN A 82 15.568 22.485 14.839 1.00 26.66 N -ATOM 618 CA GLN A 82 14.449 23.360 15.233 1.00 28.14 C -ATOM 619 CB GLN A 82 14.786 24.811 14.932 1.00 30.09 C -ATOM 620 CG GLN A 82 13.733 25.723 15.519 1.00 36.98 C -ATOM 621 CD GLN A 82 13.976 27.166 15.182 1.00 45.57 C -ATOM 622 OE1 GLN A 82 14.993 27.520 14.577 1.00 42.79 O -ATOM 623 NE2 GLN A 82 13.017 27.992 15.573 1.00 42.81 N -ATOM 624 C GLN A 82 13.198 22.872 14.488 1.00 33.28 C -ATOM 625 O GLN A 82 13.099 23.110 13.260 1.00 30.54 O -ATOM 626 N GLY A 83 12.286 22.212 15.207 1.00 30.65 N -ATOM 627 CA GLY A 83 11.156 21.474 14.631 1.00 29.07 C -ATOM 628 C GLY A 83 11.550 20.015 14.691 1.00 31.31 C -ATOM 629 O GLY A 83 12.706 19.710 14.292 1.00 31.77 O -ATOM 630 N ARG A 84 10.768 19.201 15.383 1.00 33.45 N -ATOM 631 CA ARG A 84 11.093 17.770 15.584 1.00 33.94 C -ATOM 632 CB ARG A 84 11.541 17.455 17.010 1.00 32.59 C -ATOM 633 CG ARG A 84 10.606 17.952 18.101 1.00 35.18 C -ATOM 634 CD ARG A 84 10.146 16.843 19.020 1.00 36.10 C -ATOM 635 NE ARG A 84 11.205 15.984 19.531 1.00 38.49 N -ATOM 636 CZ ARG A 84 11.825 16.155 20.698 1.00 41.63 C -ATOM 637 NH1 ARG A 84 11.521 17.184 21.475 1.00 39.07 N -ATOM 638 NH2 ARG A 84 12.768 15.311 21.073 1.00 50.85 N -ATOM 639 C ARG A 84 9.856 17.041 15.075 1.00 33.03 C -ATOM 640 O ARG A 84 8.895 17.736 14.743 1.00 38.16 O -ATOM 641 N PHE A 85 9.950 15.745 14.792 1.00 33.78 N -ATOM 642 CA PHE A 85 8.840 14.997 14.167 1.00 30.67 C -ATOM 643 CB PHE A 85 9.344 14.134 13.009 1.00 37.29 C -ATOM 644 CG PHE A 85 10.045 14.898 11.918 1.00 33.99 C -ATOM 645 CD1 PHE A 85 9.353 15.772 11.101 1.00 41.32 C -ATOM 646 CE1 PHE A 85 10.002 16.460 10.080 1.00 38.25 C -ATOM 647 CZ PHE A 85 11.353 16.294 9.890 1.00 38.56 C -ATOM 648 CD2 PHE A 85 11.403 14.721 11.695 1.00 37.06 C -ATOM 649 CE2 PHE A 85 12.053 15.408 10.682 1.00 31.22 C -ATOM 650 C PHE A 85 8.149 14.254 15.303 1.00 30.51 C -ATOM 651 O PHE A 85 8.823 13.856 16.265 1.00 36.59 O -ATOM 652 N HIS A 86 6.815 14.191 15.247 1.00 32.32 N -ATOM 653 CA HIS A 86 6.000 13.536 16.286 1.00 28.39 C -ATOM 654 CB HIS A 86 5.105 14.523 17.026 1.00 32.63 C -ATOM 655 CG HIS A 86 5.813 15.642 17.708 1.00 30.64 C -ATOM 656 ND1 HIS A 86 6.033 16.864 17.072 1.00 29.80 N -ATOM 657 CE1 HIS A 86 6.605 17.700 17.930 1.00 25.82 C -ATOM 658 NE2 HIS A 86 6.733 17.047 19.129 1.00 30.97 N -ATOM 659 CD2 HIS A 86 6.242 15.776 18.982 1.00 31.34 C -ATOM 660 C HIS A 86 5.173 12.455 15.621 1.00 29.56 C -ATOM 661 O HIS A 86 4.653 12.688 14.506 1.00 30.56 O -ATOM 662 N MET A 87 5.046 11.337 16.324 1.00 28.02 N -ATOM 663 CA MET A 87 4.208 10.203 15.916 1.00 33.98 C -ATOM 664 CB MET A 87 4.299 9.144 17.019 1.00 30.40 C -ATOM 665 CG MET A 87 3.536 7.917 16.723 1.00 49.88 C -ATOM 666 SD MET A 87 3.918 6.635 17.931 1.00 46.79 S -ATOM 667 CE MET A 87 3.637 7.498 19.453 1.00 51.08 C -ATOM 668 C MET A 87 2.780 10.730 15.717 1.00 28.15 C -ATOM 669 O MET A 87 2.100 10.288 14.762 1.00 24.20 O -ATOM 670 N TYR A 88 2.325 11.697 16.535 1.00 23.90 N -ATOM 671 CA TYR A 88 0.911 12.139 16.469 1.00 24.43 C -ATOM 672 CB TYR A 88 0.500 13.029 17.648 1.00 24.48 C -ATOM 673 CG TYR A 88 1.248 14.333 17.826 1.00 20.76 C -ATOM 674 CD1 TYR A 88 1.118 15.402 16.947 1.00 21.80 C -ATOM 675 CE1 TYR A 88 1.843 16.576 17.117 1.00 24.51 C -ATOM 676 CZ TYR A 88 2.680 16.683 18.223 1.00 23.84 C -ATOM 677 OH TYR A 88 3.398 17.779 18.504 1.00 27.90 O -ATOM 678 CE2 TYR A 88 2.806 15.645 19.124 1.00 21.74 C -ATOM 679 CD2 TYR A 88 2.087 14.483 18.917 1.00 21.04 C -ATOM 680 C TYR A 88 0.665 12.813 15.120 1.00 26.47 C -ATOM 681 O TYR A 88 -0.527 12.933 14.771 1.00 24.62 O -ATOM 682 N GLU A 89 1.712 13.288 14.412 1.00 27.98 N -ATOM 683 CA GLU A 89 1.535 14.059 13.146 1.00 27.00 C -ATOM 684 CB GLU A 89 2.725 14.970 12.796 1.00 31.09 C -ATOM 685 CG GLU A 89 3.054 16.100 13.762 1.00 38.75 C -ATOM 686 CD GLU A 89 4.354 16.884 13.465 1.00 47.76 C -ATOM 687 OE1 GLU A 89 4.328 17.809 12.590 1.00 55.62 O -ATOM 688 OE2 GLU A 89 5.413 16.602 14.109 1.00 35.04 O -ATOM 689 C GLU A 89 1.304 13.032 12.013 1.00 28.72 C -ATOM 690 O GLU A 89 0.902 13.453 10.913 1.00 18.72 O -ATOM 691 N GLY A 90 1.514 11.727 12.275 1.00 25.09 N -ATOM 692 CA GLY A 90 1.210 10.620 11.335 1.00 23.55 C -ATOM 693 C GLY A 90 2.500 9.998 10.810 1.00 27.82 C -ATOM 694 O GLY A 90 2.415 9.051 10.075 1.00 22.50 O -ATOM 695 N TYR A 91 3.673 10.520 11.214 1.00 25.23 N -ATOM 696 CA TYR A 91 5.002 9.983 10.872 1.00 25.81 C -ATOM 697 CB TYR A 91 6.113 10.927 11.317 1.00 27.45 C -ATOM 698 CG TYR A 91 6.111 12.276 10.644 1.00 30.77 C -ATOM 699 CD1 TYR A 91 6.404 12.422 9.295 1.00 34.14 C -ATOM 700 CE1 TYR A 91 6.419 13.668 8.689 1.00 33.72 C -ATOM 701 CZ TYR A 91 6.144 14.794 9.443 1.00 34.02 C -ATOM 702 OH TYR A 91 6.135 16.036 8.895 1.00 44.38 O -ATOM 703 CE2 TYR A 91 5.860 14.671 10.785 1.00 37.78 C -ATOM 704 CD2 TYR A 91 5.845 13.418 11.371 1.00 34.83 C -ATOM 705 C TYR A 91 5.184 8.649 11.586 1.00 28.18 C -ATOM 706 O TYR A 91 5.017 8.560 12.797 1.00 23.83 O -ATOM 707 N PRO A 92 5.582 7.590 10.854 1.00 27.06 N -ATOM 708 CA PRO A 92 6.096 6.388 11.484 1.00 26.39 C -ATOM 709 CB PRO A 92 6.445 5.451 10.313 1.00 26.03 C -ATOM 710 CG PRO A 92 5.863 6.067 9.082 1.00 27.49 C -ATOM 711 CD PRO A 92 5.589 7.524 9.386 1.00 25.89 C -ATOM 712 C PRO A 92 7.354 6.746 12.297 1.00 26.10 C -ATOM 713 O PRO A 92 8.056 7.676 11.951 1.00 23.87 O -ATOM 714 N LEU A 93 7.712 5.923 13.273 1.00 23.87 N -ATOM 715 CA LEU A 93 8.916 6.216 14.088 1.00 23.61 C -ATOM 716 CB LEU A 93 8.910 5.265 15.276 1.00 26.17 C -ATOM 717 CG LEU A 93 7.766 5.527 16.253 1.00 26.70 C -ATOM 718 CD1 LEU A 93 7.897 4.641 17.485 1.00 30.72 C -ATOM 719 CD2 LEU A 93 7.733 6.981 16.685 1.00 30.73 C -ATOM 720 C LEU A 93 10.217 6.150 13.265 1.00 25.44 C -ATOM 721 O LEU A 93 11.191 6.847 13.650 1.00 27.76 O -ATOM 722 N TRP A 94 10.243 5.451 12.124 1.00 23.03 N -ATOM 723 CA TRP A 94 11.484 5.325 11.345 1.00 26.63 C -ATOM 724 CB TRP A 94 11.467 4.098 10.432 1.00 22.75 C -ATOM 725 CG TRP A 94 10.238 3.905 9.603 1.00 25.20 C -ATOM 726 CD1 TRP A 94 9.201 3.059 9.898 1.00 23.15 C -ATOM 727 NE1 TRP A 94 8.303 3.026 8.863 1.00 25.24 N -ATOM 728 CE2 TRP A 94 8.738 3.860 7.854 1.00 22.27 C -ATOM 729 CD2 TRP A 94 9.956 4.442 8.286 1.00 21.98 C -ATOM 730 CE3 TRP A 94 10.608 5.338 7.419 1.00 23.64 C -ATOM 731 CZ3 TRP A 94 10.032 5.649 6.198 1.00 24.69 C -ATOM 732 CH2 TRP A 94 8.810 5.074 5.796 1.00 21.31 C -ATOM 733 CZ2 TRP A 94 8.130 4.201 6.632 1.00 22.98 C -ATOM 734 C TRP A 94 11.675 6.650 10.588 1.00 27.15 C -ATOM 735 O TRP A 94 12.784 6.897 10.119 1.00 26.99 O -ATOM 736 N LYS A 95 10.632 7.480 10.497 1.00 27.03 N -ATOM 737 CA LYS A 95 10.770 8.845 9.911 1.00 25.49 C -ATOM 738 CB LYS A 95 9.492 9.339 9.237 1.00 24.46 C -ATOM 739 CG LYS A 95 9.261 8.759 7.856 1.00 25.74 C -ATOM 740 CD LYS A 95 8.237 9.515 7.006 1.00 29.46 C -ATOM 741 CE LYS A 95 8.096 8.928 5.609 1.00 32.21 C -ATOM 742 NZ LYS A 95 6.810 9.310 4.991 1.00 36.99 N -ATOM 743 C LYS A 95 11.125 9.790 11.040 1.00 24.40 C -ATOM 744 O LYS A 95 12.036 10.604 10.852 1.00 24.09 O -ATOM 745 N VAL A 96 10.450 9.617 12.190 1.00 30.00 N -ATOM 746 CA VAL A 96 10.632 10.489 13.371 1.00 24.74 C -ATOM 747 CB VAL A 96 9.795 10.017 14.575 1.00 25.80 C -ATOM 748 CG1 VAL A 96 10.211 10.742 15.856 1.00 26.86 C -ATOM 749 CG2 VAL A 96 8.298 10.201 14.328 1.00 29.31 C -ATOM 750 C VAL A 96 12.129 10.518 13.670 1.00 28.57 C -ATOM 751 O VAL A 96 12.615 11.591 13.986 1.00 28.07 O -ATOM 752 N THR A 97 12.801 9.355 13.594 1.00 24.34 N -ATOM 753 CA THR A 97 14.157 9.128 14.128 1.00 23.18 C -ATOM 754 CB THR A 97 14.201 7.836 14.956 1.00 25.20 C -ATOM 755 OG1 THR A 97 13.806 6.706 14.173 1.00 28.21 O -ATOM 756 CG2 THR A 97 13.293 7.932 16.159 1.00 24.64 C -ATOM 757 C THR A 97 15.177 9.136 12.997 1.00 26.20 C -ATOM 758 O THR A 97 16.385 8.950 13.288 1.00 24.10 O -ATOM 759 N PHE A 98 14.739 9.394 11.757 1.00 27.43 N -ATOM 760 CA PHE A 98 15.637 9.414 10.581 1.00 24.69 C -ATOM 761 CB PHE A 98 14.857 9.818 9.332 1.00 24.50 C -ATOM 762 CG PHE A 98 15.734 10.038 8.137 1.00 22.19 C -ATOM 763 CD1 PHE A 98 16.275 8.960 7.462 1.00 24.81 C -ATOM 764 CE1 PHE A 98 17.119 9.165 6.374 1.00 29.11 C -ATOM 765 CZ PHE A 98 17.406 10.448 5.949 1.00 27.00 C -ATOM 766 CD2 PHE A 98 16.063 11.326 7.727 1.00 24.95 C -ATOM 767 CE2 PHE A 98 16.886 11.528 6.627 1.00 24.00 C -ATOM 768 C PHE A 98 16.813 10.355 10.845 1.00 26.09 C -ATOM 769 O PHE A 98 17.957 10.031 10.528 1.00 26.59 O -ATOM 770 N PRO A 99 16.587 11.574 11.375 1.00 24.62 N -ATOM 771 CA PRO A 99 17.690 12.519 11.570 1.00 26.58 C -ATOM 772 CB PRO A 99 16.998 13.762 12.148 1.00 29.04 C -ATOM 773 CG PRO A 99 15.536 13.624 11.742 1.00 29.05 C -ATOM 774 CD PRO A 99 15.274 12.133 11.721 1.00 26.28 C -ATOM 775 C PRO A 99 18.799 11.997 12.510 1.00 31.34 C -ATOM 776 O PRO A 99 19.985 12.313 12.291 1.00 28.37 O -ATOM 777 N VAL A 100 18.421 11.224 13.540 1.00 31.26 N -ATOM 778 CA VAL A 100 19.387 10.679 14.527 1.00 28.15 C -ATOM 779 CB VAL A 100 18.685 9.951 15.682 1.00 28.72 C -ATOM 780 CG1 VAL A 100 19.684 9.314 16.635 1.00 32.27 C -ATOM 781 CG2 VAL A 100 17.768 10.885 16.444 1.00 30.54 C -ATOM 782 C VAL A 100 20.406 9.793 13.794 1.00 29.14 C -ATOM 783 O VAL A 100 21.610 9.939 14.067 1.00 29.59 O -ATOM 784 N ARG A 101 19.971 8.958 12.847 1.00 29.37 N -ATOM 785 CA ARG A 101 20.897 8.072 12.105 1.00 26.73 C -ATOM 786 CB ARG A 101 20.056 6.991 11.438 1.00 34.92 C -ATOM 787 CG ARG A 101 19.887 5.839 12.415 1.00 34.67 C -ATOM 788 CD ARG A 101 19.044 4.753 11.885 1.00 34.05 C -ATOM 789 NE ARG A 101 18.953 3.723 12.881 1.00 28.87 N -ATOM 790 CZ ARG A 101 18.305 2.608 12.683 1.00 37.54 C -ATOM 791 NH1 ARG A 101 17.668 2.393 11.532 1.00 51.15 N -ATOM 792 NH2 ARG A 101 18.194 1.770 13.679 1.00 29.78 N -ATOM 793 C ARG A 101 21.788 8.910 11.200 1.00 35.31 C -ATOM 794 O ARG A 101 22.992 8.560 11.055 1.00 28.24 O -ATOM 795 N VAL A 102 21.241 10.019 10.678 1.00 29.72 N -ATOM 796 CA VAL A 102 22.026 10.912 9.809 1.00 28.31 C -ATOM 797 CB VAL A 102 21.130 11.964 9.133 1.00 24.18 C -ATOM 798 CG1 VAL A 102 21.964 12.970 8.362 1.00 24.06 C -ATOM 799 CG2 VAL A 102 20.140 11.258 8.205 1.00 27.68 C -ATOM 800 C VAL A 102 23.132 11.494 10.684 1.00 27.91 C -ATOM 801 O VAL A 102 24.288 11.494 10.232 1.00 27.25 O -ATOM 802 N PHE A 103 22.792 11.918 11.905 1.00 27.80 N -ATOM 803 CA PHE A 103 23.728 12.611 12.823 1.00 27.44 C -ATOM 804 CB PHE A 103 23.013 13.017 14.107 1.00 32.19 C -ATOM 805 CG PHE A 103 21.925 14.040 13.942 1.00 29.54 C -ATOM 806 CD1 PHE A 103 21.895 14.893 12.858 1.00 33.81 C -ATOM 807 CE1 PHE A 103 20.865 15.809 12.707 1.00 37.36 C -ATOM 808 CZ PHE A 103 19.917 15.945 13.691 1.00 31.80 C -ATOM 809 CD2 PHE A 103 20.934 14.157 14.900 1.00 34.22 C -ATOM 810 CE2 PHE A 103 19.942 15.115 14.777 1.00 29.60 C -ATOM 811 C PHE A 103 24.907 11.680 13.107 1.00 29.01 C -ATOM 812 O PHE A 103 26.040 12.142 13.075 1.00 26.77 O -ATOM 813 N HIS A 104 24.631 10.387 13.326 1.00 31.68 N -ATOM 814 CA HIS A 104 25.666 9.371 13.615 1.00 29.22 C -ATOM 815 CB HIS A 104 24.993 8.033 13.971 1.00 29.37 C -ATOM 816 CG HIS A 104 25.902 6.865 13.837 1.00 33.78 C -ATOM 817 ND1 HIS A 104 27.006 6.696 14.650 1.00 39.61 N -ATOM 818 CE1 HIS A 104 27.650 5.603 14.289 1.00 37.99 C -ATOM 819 NE2 HIS A 104 26.992 5.055 13.254 1.00 41.33 N -ATOM 820 CD2 HIS A 104 25.902 5.834 12.964 1.00 36.66 C -ATOM 821 C HIS A 104 26.632 9.343 12.419 1.00 34.07 C -ATOM 822 O HIS A 104 27.854 9.399 12.647 1.00 30.56 O -ATOM 823 N LEU A 105 26.122 9.366 11.173 1.00 32.31 N -ATOM 824 CA LEU A 105 26.986 9.233 9.968 1.00 26.61 C -ATOM 825 CB LEU A 105 26.115 8.810 8.780 1.00 29.30 C -ATOM 826 CG LEU A 105 25.515 7.407 8.876 1.00 33.45 C -ATOM 827 CD1 LEU A 105 24.541 7.153 7.724 1.00 39.06 C -ATOM 828 CD2 LEU A 105 26.622 6.355 8.894 1.00 32.54 C -ATOM 829 C LEU A 105 27.703 10.560 9.724 1.00 25.95 C -ATOM 830 O LEU A 105 28.711 10.561 9.001 1.00 24.72 O -ATOM 831 N LEU A 106 27.211 11.669 10.295 1.00 26.09 N -ATOM 832 CA LEU A 106 27.905 12.976 10.158 1.00 26.41 C -ATOM 833 CB LEU A 106 26.953 14.127 10.472 1.00 26.83 C -ATOM 834 CG LEU A 106 25.859 14.388 9.445 1.00 25.37 C -ATOM 835 CD1 LEU A 106 25.045 15.586 9.867 1.00 29.40 C -ATOM 836 CD2 LEU A 106 26.438 14.611 8.069 1.00 26.68 C -ATOM 837 C LEU A 106 29.092 12.985 11.118 1.00 25.95 C -ATOM 838 O LEU A 106 29.943 13.827 10.919 1.00 28.83 O -ATOM 839 N GLY A 107 29.088 12.103 12.134 1.00 30.32 N -ATOM 840 CA GLY A 107 30.154 11.944 13.142 1.00 31.50 C -ATOM 841 C GLY A 107 29.755 12.502 14.502 1.00 33.06 C -ATOM 842 O GLY A 107 30.653 12.821 15.277 1.00 28.36 O -ATOM 843 N VAL A 108 28.459 12.671 14.772 1.00 29.33 N -ATOM 844 CA VAL A 108 27.964 13.162 16.087 1.00 29.56 C -ATOM 845 CB VAL A 108 26.497 13.619 15.971 1.00 30.73 C -ATOM 846 CG1 VAL A 108 25.810 13.769 17.313 1.00 32.68 C -ATOM 847 CG2 VAL A 108 26.397 14.908 15.175 1.00 34.40 C -ATOM 848 C VAL A 108 28.174 12.031 17.105 1.00 29.65 C -ATOM 849 O VAL A 108 27.819 10.888 16.804 1.00 26.39 O -ATOM 850 N ASP A 109 28.748 12.322 18.273 1.00 30.02 N -ATOM 851 CA ASP A 109 28.943 11.279 19.309 1.00 26.45 C -ATOM 852 CB ASP A 109 30.409 11.126 19.678 1.00 27.46 C -ATOM 853 CG ASP A 109 30.968 12.312 20.427 1.00 29.72 C -ATOM 854 OD1 ASP A 109 30.167 13.117 21.004 1.00 27.88 O -ATOM 855 OD2 ASP A 109 32.194 12.420 20.426 1.00 35.78 O -ATOM 856 C ASP A 109 28.020 11.579 20.483 1.00 21.94 C -ATOM 857 O ASP A 109 27.882 10.714 21.324 1.00 22.59 O -ATOM 858 N THR A 110 27.334 12.724 20.498 1.00 25.41 N -ATOM 859 CA THR A 110 26.429 13.070 21.624 1.00 24.25 C -ATOM 860 CB THR A 110 27.107 14.089 22.549 1.00 24.50 C -ATOM 861 OG1 THR A 110 28.371 13.556 22.946 1.00 20.24 O -ATOM 862 CG2 THR A 110 26.250 14.409 23.754 1.00 23.98 C -ATOM 863 C THR A 110 25.091 13.611 21.119 1.00 23.35 C -ATOM 864 O THR A 110 25.085 14.459 20.216 1.00 26.14 O -ATOM 865 N LEU A 111 23.996 13.216 21.772 1.00 24.58 N -ATOM 866 CA LEU A 111 22.642 13.727 21.474 1.00 24.04 C -ATOM 867 CB LEU A 111 21.740 12.583 21.003 1.00 26.91 C -ATOM 868 CG LEU A 111 20.304 13.017 20.738 1.00 28.97 C -ATOM 869 CD1 LEU A 111 20.270 14.020 19.584 1.00 25.29 C -ATOM 870 CD2 LEU A 111 19.402 11.823 20.448 1.00 31.70 C -ATOM 871 C LEU A 111 22.081 14.377 22.735 1.00 24.39 C -ATOM 872 O LEU A 111 22.025 13.700 23.796 1.00 28.11 O -ATOM 873 N VAL A 112 21.695 15.647 22.619 1.00 25.21 N -ATOM 874 CA VAL A 112 20.992 16.402 23.687 1.00 24.29 C -ATOM 875 CB VAL A 112 21.629 17.775 23.940 1.00 23.70 C -ATOM 876 CG1 VAL A 112 20.847 18.539 24.994 1.00 23.76 C -ATOM 877 CG2 VAL A 112 23.094 17.635 24.311 1.00 24.41 C -ATOM 878 C VAL A 112 19.557 16.547 23.199 1.00 28.47 C -ATOM 879 O VAL A 112 19.371 17.207 22.164 1.00 27.39 O -ATOM 880 N VAL A 113 18.609 15.968 23.931 1.00 26.34 N -ATOM 881 CA VAL A 113 17.154 15.988 23.642 1.00 23.52 C -ATOM 882 CB VAL A 113 16.577 14.566 23.685 1.00 27.10 C -ATOM 883 CG1 VAL A 113 17.195 13.674 22.637 1.00 32.69 C -ATOM 884 CG2 VAL A 113 16.748 13.924 25.048 1.00 32.82 C -ATOM 885 C VAL A 113 16.498 16.897 24.681 1.00 26.08 C -ATOM 886 O VAL A 113 16.796 16.762 25.866 1.00 25.22 O -ATOM 887 N THR A 114 15.664 17.832 24.247 1.00 24.89 N -ATOM 888 CA THR A 114 14.934 18.750 25.142 1.00 22.88 C -ATOM 889 CB THR A 114 15.441 20.190 25.043 1.00 24.86 C -ATOM 890 OG1 THR A 114 15.137 20.653 23.731 1.00 26.92 O -ATOM 891 CG2 THR A 114 16.918 20.344 25.333 1.00 28.71 C -ATOM 892 C THR A 114 13.473 18.633 24.736 1.00 25.10 C -ATOM 893 O THR A 114 13.251 18.389 23.553 1.00 23.87 O -ATOM 894 N ASN A 115 12.540 18.738 25.680 1.00 22.89 N -ATOM 895 CA ASN A 115 11.097 18.708 25.374 1.00 24.56 C -ATOM 896 CB ASN A 115 10.563 17.281 25.321 1.00 22.67 C -ATOM 897 CG ASN A 115 10.780 16.530 26.619 1.00 24.26 C -ATOM 898 OD1 ASN A 115 10.379 17.008 27.681 1.00 24.05 O -ATOM 899 ND2 ASN A 115 11.345 15.333 26.528 1.00 23.76 N -ATOM 900 C ASN A 115 10.399 19.586 26.401 1.00 22.47 C -ATOM 901 O ASN A 115 11.053 20.045 27.338 1.00 19.47 O -ATOM 902 N ALA A 116 9.118 19.839 26.163 1.00 24.24 N -ATOM 903 CA ALA A 116 8.179 20.401 27.141 1.00 22.94 C -ATOM 904 CB ALA A 116 7.275 21.405 26.459 1.00 25.65 C -ATOM 905 C ALA A 116 7.438 19.179 27.678 1.00 24.47 C -ATOM 906 O ALA A 116 7.272 18.225 26.899 1.00 22.60 O -ATOM 907 N ALA A 117 7.104 19.141 28.966 1.00 23.09 N -ATOM 908 CA ALA A 117 6.328 18.030 29.536 1.00 21.57 C -ATOM 909 CB ALA A 117 7.241 16.998 30.136 1.00 26.06 C -ATOM 910 C ALA A 117 5.342 18.571 30.559 1.00 23.23 C -ATOM 911 O ALA A 117 5.532 19.713 31.073 1.00 24.60 O -ATOM 912 N GLY A 118 4.320 17.748 30.815 1.00 23.67 N -ATOM 913 CA GLY A 118 3.336 17.936 31.883 1.00 23.11 C -ATOM 914 C GLY A 118 3.914 17.308 33.122 1.00 22.47 C -ATOM 915 O GLY A 118 4.503 16.231 32.992 1.00 20.54 O -ATOM 916 N GLY A 119 3.821 18.001 34.254 1.00 25.73 N -ATOM 917 CA GLY A 119 4.314 17.504 35.539 1.00 23.82 C -ATOM 918 C GLY A 119 3.311 16.540 36.119 1.00 23.19 C -ATOM 919 O GLY A 119 2.171 16.943 36.309 1.00 20.66 O -ATOM 920 N LEU A 120 3.753 15.316 36.395 1.00 24.27 N -ATOM 921 CA LEU A 120 2.975 14.258 37.071 1.00 23.39 C -ATOM 922 CB LEU A 120 3.300 12.928 36.385 1.00 21.85 C -ATOM 923 CG LEU A 120 2.827 12.770 34.940 1.00 22.46 C -ATOM 924 CD1 LEU A 120 3.377 11.501 34.331 1.00 23.93 C -ATOM 925 CD2 LEU A 120 1.313 12.729 34.874 1.00 24.35 C -ATOM 926 C LEU A 120 3.376 14.264 38.550 1.00 26.11 C -ATOM 927 O LEU A 120 2.508 14.045 39.417 1.00 28.72 O -ATOM 928 N ASN A 121 4.646 14.561 38.841 1.00 29.59 N -ATOM 929 CA ASN A 121 5.151 14.616 40.233 1.00 29.32 C -ATOM 930 CB ASN A 121 6.673 14.664 40.274 1.00 30.19 C -ATOM 931 CG ASN A 121 7.212 14.382 41.657 1.00 25.12 C -ATOM 932 OD1 ASN A 121 6.851 15.043 42.625 1.00 27.86 O -ATOM 933 ND2 ASN A 121 8.096 13.411 41.743 1.00 23.45 N -ATOM 934 C ASN A 121 4.563 15.844 40.902 1.00 26.71 C -ATOM 935 O ASN A 121 4.818 16.953 40.461 1.00 29.67 O -ATOM 936 N PRO A 122 3.809 15.691 42.007 1.00 28.65 N -ATOM 937 CA PRO A 122 3.288 16.841 42.750 1.00 29.57 C -ATOM 938 CB PRO A 122 2.677 16.188 43.996 1.00 27.42 C -ATOM 939 CG PRO A 122 2.302 14.808 43.550 1.00 28.86 C -ATOM 940 CD PRO A 122 3.411 14.405 42.601 1.00 27.35 C -ATOM 941 C PRO A 122 4.313 17.910 43.190 1.00 31.90 C -ATOM 942 O PRO A 122 3.881 19.036 43.359 1.00 33.76 O -ATOM 943 N LYS A 123 5.601 17.567 43.388 1.00 36.89 N -ATOM 944 CA LYS A 123 6.673 18.539 43.788 1.00 37.19 C -ATOM 945 CB LYS A 123 8.058 17.925 44.087 1.00 48.37 C -ATOM 946 CG LYS A 123 8.164 16.653 44.931 1.00 64.23 C -ATOM 947 CD LYS A 123 9.326 15.732 44.472 1.00 74.65 C -ATOM 948 CE LYS A 123 9.163 14.250 44.790 1.00 76.66 C -ATOM 949 NZ LYS A 123 9.661 13.915 46.149 1.00 80.27 N -ATOM 950 C LYS A 123 6.925 19.538 42.642 1.00 33.59 C -ATOM 951 O LYS A 123 7.363 20.653 42.943 1.00 30.26 O -ATOM 952 N PHE A 124 6.721 19.150 41.366 1.00 35.18 N -ATOM 953 CA PHE A 124 7.112 19.962 40.189 1.00 30.31 C -ATOM 954 CB PHE A 124 7.067 19.122 38.925 1.00 27.87 C -ATOM 955 CG PHE A 124 8.119 18.050 38.813 1.00 28.64 C -ATOM 956 CD1 PHE A 124 8.998 17.764 39.851 1.00 27.46 C -ATOM 957 CE1 PHE A 124 9.949 16.764 39.722 1.00 26.98 C -ATOM 958 CZ PHE A 124 9.998 16.006 38.577 1.00 29.57 C -ATOM 959 CD2 PHE A 124 8.163 17.259 37.677 1.00 26.24 C -ATOM 960 CE2 PHE A 124 9.104 16.247 37.553 1.00 28.53 C -ATOM 961 C PHE A 124 6.211 21.199 40.114 1.00 32.26 C -ATOM 962 O PHE A 124 5.035 21.087 40.479 1.00 38.23 O -ATOM 963 N GLU A 125 6.788 22.351 39.755 1.00 32.04 N -ATOM 964 CA GLU A 125 6.075 23.626 39.487 1.00 32.36 C -ATOM 965 CB GLU A 125 6.558 24.751 40.401 1.00 31.48 C -ATOM 966 CG GLU A 125 6.230 24.527 41.865 1.00 42.24 C -ATOM 967 CD GLU A 125 4.773 24.197 42.153 1.00 51.18 C -ATOM 968 OE1 GLU A 125 3.913 25.058 41.898 1.00 63.98 O -ATOM 969 OE2 GLU A 125 4.497 23.068 42.618 1.00 59.87 O -ATOM 970 C GLU A 125 6.318 23.993 38.023 1.00 27.24 C -ATOM 971 O GLU A 125 7.359 23.572 37.471 1.00 22.71 O -ATOM 972 N VAL A 126 5.402 24.763 37.437 1.00 27.99 N -ATOM 973 CA VAL A 126 5.549 25.319 36.063 1.00 30.68 C -ATOM 974 CB VAL A 126 4.355 26.234 35.711 1.00 31.00 C -ATOM 975 CG1 VAL A 126 4.587 27.049 34.444 1.00 30.71 C -ATOM 976 CG2 VAL A 126 3.079 25.418 35.592 1.00 30.81 C -ATOM 977 C VAL A 126 6.888 26.058 36.055 1.00 27.15 C -ATOM 978 O VAL A 126 7.119 26.802 37.027 1.00 24.09 O -ATOM 979 N GLY A 127 7.749 25.792 35.061 1.00 26.60 N -ATOM 980 CA GLY A 127 9.049 26.470 34.890 1.00 28.29 C -ATOM 981 C GLY A 127 10.196 25.596 35.353 1.00 28.11 C -ATOM 982 O GLY A 127 11.348 25.900 34.997 1.00 25.13 O -ATOM 983 N ASP A 128 9.881 24.513 36.077 1.00 26.47 N -ATOM 984 CA ASP A 128 10.887 23.561 36.595 1.00 22.01 C -ATOM 985 CB ASP A 128 10.301 22.517 37.541 1.00 22.40 C -ATOM 986 CG ASP A 128 10.193 22.991 38.975 1.00 21.58 C -ATOM 987 OD1 ASP A 128 10.611 24.123 39.261 1.00 25.39 O -ATOM 988 OD2 ASP A 128 9.708 22.215 39.799 1.00 23.50 O -ATOM 989 C ASP A 128 11.535 22.874 35.410 1.00 22.11 C -ATOM 990 O ASP A 128 10.836 22.605 34.371 1.00 22.45 O -ATOM 991 N ILE A 129 12.814 22.576 35.567 1.00 18.85 N -ATOM 992 CA ILE A 129 13.607 21.784 34.601 1.00 20.40 C -ATOM 993 CB ILE A 129 14.925 22.490 34.292 1.00 20.39 C -ATOM 994 CG1 ILE A 129 14.663 23.910 33.804 1.00 22.55 C -ATOM 995 CG2 ILE A 129 15.743 21.676 33.307 1.00 22.35 C -ATOM 996 CD1 ILE A 129 15.911 24.623 33.345 1.00 26.00 C -ATOM 997 C ILE A 129 13.806 20.420 35.237 1.00 21.85 C -ATOM 998 O ILE A 129 14.197 20.400 36.417 1.00 19.50 O -ATOM 999 N MET A 130 13.478 19.343 34.503 1.00 26.15 N -ATOM 1000 CA MET A 130 13.677 17.955 34.976 1.00 24.01 C -ATOM 1001 CB MET A 130 12.392 17.139 34.937 1.00 25.37 C -ATOM 1002 CG MET A 130 12.583 15.770 35.574 1.00 27.52 C -ATOM 1003 SD MET A 130 11.269 14.608 35.214 1.00 28.43 S -ATOM 1004 CE MET A 130 11.792 14.024 33.608 1.00 29.76 C -ATOM 1005 C MET A 130 14.754 17.300 34.108 1.00 24.01 C -ATOM 1006 O MET A 130 14.533 17.151 32.926 1.00 24.15 O -ATOM 1007 N LEU A 131 15.899 16.962 34.706 1.00 28.73 N -ATOM 1008 CA LEU A 131 16.930 16.083 34.106 1.00 28.37 C -ATOM 1009 CB LEU A 131 18.131 16.049 35.054 1.00 34.04 C -ATOM 1010 CG LEU A 131 19.378 15.298 34.589 1.00 39.00 C -ATOM 1011 CD1 LEU A 131 19.939 15.889 33.309 1.00 42.83 C -ATOM 1012 CD2 LEU A 131 20.446 15.335 35.678 1.00 39.37 C -ATOM 1013 C LEU A 131 16.273 14.715 33.926 1.00 27.31 C -ATOM 1014 O LEU A 131 15.615 14.252 34.856 1.00 27.29 O -ATOM 1015 N ILE A 132 16.376 14.114 32.745 1.00 28.39 N -ATOM 1016 CA ILE A 132 15.743 12.797 32.478 1.00 27.20 C -ATOM 1017 CB ILE A 132 15.332 12.676 31.006 1.00 26.60 C -ATOM 1018 CG1 ILE A 132 14.385 13.811 30.599 1.00 29.49 C -ATOM 1019 CG2 ILE A 132 14.760 11.288 30.731 1.00 27.94 C -ATOM 1020 CD1 ILE A 132 14.135 13.923 29.097 1.00 31.77 C -ATOM 1021 C ILE A 132 16.753 11.738 32.907 1.00 24.54 C -ATOM 1022 O ILE A 132 17.841 11.726 32.316 1.00 24.96 O -ATOM 1023 N ARG A 133 16.408 10.953 33.935 1.00 28.06 N -ATOM 1024 CA ARG A 133 17.223 9.848 34.514 1.00 29.89 C -ATOM 1025 CB ARG A 133 16.999 9.760 36.030 1.00 37.00 C -ATOM 1026 CG ARG A 133 17.918 8.790 36.777 1.00 49.66 C -ATOM 1027 CD ARG A 133 19.309 9.341 37.073 1.00 63.13 C -ATOM 1028 NE ARG A 133 20.445 8.875 36.248 1.00 75.62 N -ATOM 1029 CZ ARG A 133 21.017 9.494 35.188 1.00 60.64 C -ATOM 1030 NH1 ARG A 133 20.591 10.657 34.708 1.00 55.92 N -ATOM 1031 NH2 ARG A 133 22.034 8.909 34.585 1.00 50.73 N -ATOM 1032 C ARG A 133 16.800 8.557 33.813 1.00 29.87 C -ATOM 1033 O ARG A 133 17.627 7.629 33.708 1.00 29.26 O -ATOM 1034 N ASP A 134 15.544 8.499 33.338 1.00 27.66 N -ATOM 1035 CA ASP A 134 14.974 7.268 32.775 1.00 24.65 C -ATOM 1036 CB ASP A 134 14.719 6.289 33.921 1.00 25.87 C -ATOM 1037 CG ASP A 134 14.781 4.837 33.506 1.00 29.56 C -ATOM 1038 OD1 ASP A 134 14.831 4.609 32.283 1.00 31.69 O -ATOM 1039 OD2 ASP A 134 14.803 3.954 34.415 1.00 30.25 O -ATOM 1040 C ASP A 134 13.721 7.619 31.971 1.00 29.05 C -ATOM 1041 O ASP A 134 13.216 8.761 32.077 1.00 24.67 O -ATOM 1042 N HIS A 135 13.207 6.655 31.203 1.00 28.21 N -ATOM 1043 CA HIS A 135 11.933 6.826 30.482 1.00 23.54 C -ATOM 1044 CB HIS A 135 12.225 7.284 29.059 1.00 24.00 C -ATOM 1045 CG HIS A 135 12.779 6.219 28.167 1.00 24.06 C -ATOM 1046 ND1 HIS A 135 13.832 6.469 27.342 1.00 23.78 N -ATOM 1047 CE1 HIS A 135 14.109 5.383 26.650 1.00 27.41 C -ATOM 1048 NE2 HIS A 135 13.226 4.439 26.967 1.00 24.49 N -ATOM 1049 CD2 HIS A 135 12.386 4.947 27.914 1.00 25.30 C -ATOM 1050 C HIS A 135 11.078 5.561 30.620 1.00 26.14 C -ATOM 1051 O HIS A 135 11.605 4.492 30.965 1.00 29.39 O -ATOM 1052 N ILE A 136 9.776 5.713 30.382 1.00 29.21 N -ATOM 1053 CA ILE A 136 8.818 4.613 30.144 1.00 25.98 C -ATOM 1054 CB ILE A 136 7.700 4.651 31.182 1.00 26.99 C -ATOM 1055 CG1 ILE A 136 8.272 4.485 32.580 1.00 23.25 C -ATOM 1056 CG2 ILE A 136 6.631 3.627 30.829 1.00 28.68 C -ATOM 1057 CD1 ILE A 136 7.350 4.997 33.656 1.00 25.31 C -ATOM 1058 C ILE A 136 8.269 4.775 28.731 1.00 30.43 C -ATOM 1059 O ILE A 136 7.672 5.842 28.440 1.00 27.93 O -ATOM 1060 N ASN A 137 8.514 3.766 27.887 1.00 29.37 N -ATOM 1061 CA ASN A 137 8.185 3.781 26.453 1.00 26.51 C -ATOM 1062 CB ASN A 137 9.329 3.192 25.641 1.00 26.75 C -ATOM 1063 CG ASN A 137 9.090 3.355 24.158 1.00 27.96 C -ATOM 1064 OD1 ASN A 137 8.109 3.973 23.744 1.00 27.17 O -ATOM 1065 ND2 ASN A 137 9.945 2.757 23.356 1.00 27.25 N -ATOM 1066 C ASN A 137 6.850 3.048 26.244 1.00 26.97 C -ATOM 1067 O ASN A 137 6.892 1.906 25.808 1.00 26.88 O -ATOM 1068 N LEU A 138 5.704 3.694 26.513 1.00 28.58 N -ATOM 1069 CA LEU A 138 4.384 3.010 26.442 1.00 30.16 C -ATOM 1070 CB LEU A 138 3.294 3.913 27.003 1.00 31.12 C -ATOM 1071 CG LEU A 138 3.300 4.057 28.521 1.00 27.14 C -ATOM 1072 CD1 LEU A 138 2.099 4.874 28.964 1.00 29.17 C -ATOM 1073 CD2 LEU A 138 3.266 2.685 29.210 1.00 29.53 C -ATOM 1074 C LEU A 138 4.114 2.584 25.006 1.00 28.41 C -ATOM 1075 O LEU A 138 3.779 1.432 24.789 1.00 36.32 O -ATOM 1076 N PRO A 139 4.377 3.410 23.967 1.00 28.65 N -ATOM 1077 CA PRO A 139 4.212 2.937 22.596 1.00 29.06 C -ATOM 1078 CB PRO A 139 4.563 4.162 21.735 1.00 31.70 C -ATOM 1079 CG PRO A 139 4.372 5.367 22.675 1.00 29.01 C -ATOM 1080 CD PRO A 139 4.739 4.833 24.032 1.00 29.49 C -ATOM 1081 C PRO A 139 5.111 1.729 22.296 1.00 29.74 C -ATOM 1082 O PRO A 139 4.683 0.831 21.572 1.00 22.88 O -ATOM 1083 N GLY A 140 6.329 1.700 22.865 1.00 26.28 N -ATOM 1084 CA GLY A 140 7.278 0.632 22.561 1.00 25.26 C -ATOM 1085 C GLY A 140 6.754 -0.705 23.050 1.00 24.75 C -ATOM 1086 O GLY A 140 7.073 -1.727 22.418 1.00 22.91 O -ATOM 1087 N PHE A 141 6.015 -0.721 24.160 1.00 26.23 N -ATOM 1088 CA PHE A 141 5.515 -1.994 24.740 1.00 28.28 C -ATOM 1089 CB PHE A 141 4.743 -1.728 26.025 1.00 27.26 C -ATOM 1090 CG PHE A 141 5.568 -1.376 27.222 1.00 27.61 C -ATOM 1091 CD1 PHE A 141 6.903 -1.750 27.312 1.00 32.90 C -ATOM 1092 CE1 PHE A 141 7.628 -1.489 28.468 1.00 35.34 C -ATOM 1093 CZ PHE A 141 7.021 -0.913 29.559 1.00 31.69 C -ATOM 1094 CD2 PHE A 141 4.958 -0.830 28.339 1.00 30.95 C -ATOM 1095 CE2 PHE A 141 5.684 -0.574 29.494 1.00 32.59 C -ATOM 1096 C PHE A 141 4.609 -2.667 23.701 1.00 33.46 C -ATOM 1097 O PHE A 141 4.619 -3.907 23.654 1.00 31.28 O -ATOM 1098 N SER A 142 3.962 -1.870 22.826 1.00 29.35 N -ATOM 1099 CA SER A 142 2.838 -2.280 21.934 1.00 27.16 C -ATOM 1100 CB SER A 142 1.757 -1.227 22.007 1.00 33.53 C -ATOM 1101 OG SER A 142 1.107 -1.346 23.280 1.00 42.51 O -ATOM 1102 C SER A 142 3.318 -2.541 20.508 1.00 28.06 C -ATOM 1103 O SER A 142 2.533 -3.139 19.726 1.00 29.25 O -ATOM 1104 N GLY A 143 4.561 -2.145 20.198 1.00 26.29 N -ATOM 1105 CA GLY A 143 5.206 -2.400 18.895 1.00 24.79 C -ATOM 1106 C GLY A 143 5.753 -1.137 18.273 1.00 26.12 C -ATOM 1107 O GLY A 143 6.523 -1.283 17.333 1.00 25.78 O -ATOM 1108 N GLN A 144 5.392 0.041 18.818 1.00 26.63 N -ATOM 1109 CA GLN A 144 5.818 1.367 18.316 1.00 25.47 C -ATOM 1110 CB GLN A 144 4.727 2.406 18.548 1.00 26.16 C -ATOM 1111 CG GLN A 144 3.520 2.184 17.620 1.00 25.18 C -ATOM 1112 CD GLN A 144 3.826 2.601 16.197 1.00 27.88 C -ATOM 1113 OE1 GLN A 144 4.958 2.954 15.806 1.00 31.17 O -ATOM 1114 NE2 GLN A 144 2.805 2.571 15.387 1.00 25.74 N -ATOM 1115 C GLN A 144 7.204 1.666 18.909 1.00 26.81 C -ATOM 1116 O GLN A 144 7.341 2.470 19.867 1.00 21.92 O -ATOM 1117 N ASN A 145 8.194 0.988 18.325 1.00 26.75 N -ATOM 1118 CA ASN A 145 9.626 1.049 18.664 1.00 24.96 C -ATOM 1119 CB ASN A 145 10.110 -0.249 19.329 1.00 27.49 C -ATOM 1120 CG ASN A 145 11.539 -0.160 19.834 1.00 28.46 C -ATOM 1121 OD1 ASN A 145 12.445 0.245 19.090 1.00 28.61 O -ATOM 1122 ND2 ASN A 145 11.756 -0.586 21.067 1.00 24.75 N -ATOM 1123 C ASN A 145 10.309 1.324 17.347 1.00 27.69 C -ATOM 1124 O ASN A 145 10.112 0.557 16.394 1.00 24.95 O -ATOM 1125 N PRO A 146 11.141 2.383 17.296 1.00 28.89 N -ATOM 1126 CA PRO A 146 11.773 2.810 16.055 1.00 27.85 C -ATOM 1127 CB PRO A 146 12.575 4.064 16.471 1.00 31.06 C -ATOM 1128 CG PRO A 146 12.779 3.941 17.971 1.00 25.25 C -ATOM 1129 CD PRO A 146 11.564 3.195 18.458 1.00 26.41 C -ATOM 1130 C PRO A 146 12.726 1.754 15.494 1.00 28.69 C -ATOM 1131 O PRO A 146 13.037 1.853 14.331 1.00 28.62 O -ATOM 1132 N LEU A 147 13.156 0.764 16.303 1.00 32.19 N -ATOM 1133 CA LEU A 147 14.028 -0.335 15.789 1.00 28.23 C -ATOM 1134 CB LEU A 147 14.900 -0.870 16.923 1.00 25.92 C -ATOM 1135 CG LEU A 147 15.725 0.215 17.601 1.00 28.06 C -ATOM 1136 CD1 LEU A 147 16.461 -0.351 18.792 1.00 32.64 C -ATOM 1137 CD2 LEU A 147 16.674 0.889 16.611 1.00 28.16 C -ATOM 1138 C LEU A 147 13.224 -1.487 15.193 1.00 24.84 C -ATOM 1139 O LEU A 147 13.877 -2.434 14.798 1.00 26.11 O -ATOM 1140 N ARG A 148 11.886 -1.495 15.239 1.00 27.18 N -ATOM 1141 CA ARG A 148 11.068 -2.598 14.648 1.00 28.04 C -ATOM 1142 CB ARG A 148 9.557 -2.327 14.725 1.00 27.09 C -ATOM 1143 CG ARG A 148 8.720 -3.472 14.178 1.00 23.54 C -ATOM 1144 CD ARG A 148 7.268 -3.261 14.482 1.00 24.41 C -ATOM 1145 NE ARG A 148 6.607 -4.479 14.094 1.00 28.71 N -ATOM 1146 CZ ARG A 148 5.372 -4.591 13.601 1.00 31.31 C -ATOM 1147 NH1 ARG A 148 4.628 -3.518 13.402 1.00 28.69 N -ATOM 1148 NH2 ARG A 148 4.910 -5.786 13.252 1.00 25.61 N -ATOM 1149 C ARG A 148 11.446 -2.758 13.167 1.00 25.97 C -ATOM 1150 O ARG A 148 11.584 -1.770 12.521 1.00 19.72 O -ATOM 1151 N GLY A 149 11.641 -3.984 12.707 1.00 23.56 N -ATOM 1152 CA GLY A 149 12.088 -4.316 11.363 1.00 25.90 C -ATOM 1153 C GLY A 149 13.482 -4.921 11.426 1.00 26.60 C -ATOM 1154 O GLY A 149 14.066 -5.038 12.493 1.00 29.05 O -ATOM 1155 N PRO A 150 14.035 -5.321 10.271 1.00 29.26 N -ATOM 1156 CA PRO A 150 15.401 -5.837 10.210 1.00 28.29 C -ATOM 1157 CB PRO A 150 15.678 -5.981 8.702 1.00 27.97 C -ATOM 1158 CG PRO A 150 14.308 -6.090 8.058 1.00 32.79 C -ATOM 1159 CD PRO A 150 13.356 -5.324 8.959 1.00 29.81 C -ATOM 1160 C PRO A 150 16.388 -4.876 10.892 1.00 29.63 C -ATOM 1161 O PRO A 150 16.272 -3.642 10.824 1.00 27.55 O -ATOM 1162 N ASN A 151 17.333 -5.456 11.617 1.00 31.19 N -ATOM 1163 CA ASN A 151 18.438 -4.689 12.237 1.00 25.92 C -ATOM 1164 CB ASN A 151 18.919 -5.340 13.523 1.00 25.34 C -ATOM 1165 CG ASN A 151 19.994 -4.533 14.192 1.00 26.72 C -ATOM 1166 OD1 ASN A 151 19.680 -3.481 14.755 1.00 23.63 O -ATOM 1167 ND2 ASN A 151 21.229 -5.040 14.155 1.00 19.89 N -ATOM 1168 C ASN A 151 19.582 -4.607 11.236 1.00 27.92 C -ATOM 1169 O ASN A 151 19.896 -5.619 10.582 1.00 22.68 O -ATOM 1170 N ASP A 152 20.196 -3.438 11.158 1.00 31.57 N -ATOM 1171 CA ASP A 152 21.415 -3.193 10.377 1.00 28.59 C -ATOM 1172 CB ASP A 152 21.291 -1.956 9.485 1.00 27.78 C -ATOM 1173 CG ASP A 152 22.389 -1.974 8.434 1.00 29.10 C -ATOM 1174 OD1 ASP A 152 23.517 -2.359 8.790 1.00 33.02 O -ATOM 1175 OD2 ASP A 152 22.120 -1.624 7.275 1.00 36.25 O -ATOM 1176 C ASP A 152 22.563 -3.081 11.385 1.00 27.90 C -ATOM 1177 O ASP A 152 22.589 -2.086 12.145 1.00 22.36 O -ATOM 1178 N GLU A 153 23.515 -4.012 11.300 1.00 30.18 N -ATOM 1179 CA GLU A 153 24.647 -4.149 12.246 1.00 33.47 C -ATOM 1180 CB GLU A 153 25.362 -5.477 11.984 1.00 42.93 C -ATOM 1181 CG GLU A 153 25.949 -6.122 13.224 1.00 63.90 C -ATOM 1182 CD GLU A 153 25.113 -7.247 13.809 1.00 72.40 C -ATOM 1183 OE1 GLU A 153 24.873 -8.231 13.083 1.00 75.23 O -ATOM 1184 OE2 GLU A 153 24.709 -7.140 14.988 1.00 84.35 O -ATOM 1185 C GLU A 153 25.576 -2.947 12.063 1.00 34.51 C -ATOM 1186 O GLU A 153 26.427 -2.740 12.936 1.00 34.85 O -ATOM 1187 N ARG A 154 25.471 -2.207 10.944 1.00 30.86 N -ATOM 1188 CA ARG A 154 26.339 -1.036 10.715 1.00 27.31 C -ATOM 1189 CB ARG A 154 26.304 -0.579 9.262 1.00 29.15 C -ATOM 1190 CG ARG A 154 27.109 -1.480 8.328 1.00 26.35 C -ATOM 1191 CD ARG A 154 26.815 -1.202 6.857 1.00 25.41 C -ATOM 1192 NE ARG A 154 25.440 -1.522 6.476 1.00 25.34 N -ATOM 1193 CZ ARG A 154 25.003 -1.671 5.231 1.00 25.12 C -ATOM 1194 NH1 ARG A 154 25.839 -1.546 4.218 1.00 23.87 N -ATOM 1195 NH2 ARG A 154 23.733 -1.996 5.006 1.00 24.79 N -ATOM 1196 C ARG A 154 25.892 0.053 11.681 1.00 30.24 C -ATOM 1197 O ARG A 154 26.715 0.888 11.963 1.00 28.91 O -ATOM 1198 N PHE A 155 24.652 -0.001 12.204 1.00 31.16 N -ATOM 1199 CA PHE A 155 24.153 0.972 13.202 1.00 29.81 C -ATOM 1200 CB PHE A 155 22.694 1.369 12.949 1.00 30.41 C -ATOM 1201 CG PHE A 155 22.475 2.258 11.754 1.00 28.38 C -ATOM 1202 CD1 PHE A 155 23.197 3.425 11.596 1.00 30.09 C -ATOM 1203 CE1 PHE A 155 23.010 4.235 10.482 1.00 32.33 C -ATOM 1204 CZ PHE A 155 22.109 3.867 9.497 1.00 34.92 C -ATOM 1205 CD2 PHE A 155 21.556 1.913 10.769 1.00 30.68 C -ATOM 1206 CE2 PHE A 155 21.353 2.727 9.662 1.00 29.36 C -ATOM 1207 C PHE A 155 24.394 0.399 14.606 1.00 33.23 C -ATOM 1208 O PHE A 155 24.848 1.194 15.435 1.00 33.56 O -ATOM 1209 N GLY A 156 24.182 -0.909 14.851 1.00 27.42 N -ATOM 1210 CA GLY A 156 24.021 -1.404 16.226 1.00 24.69 C -ATOM 1211 C GLY A 156 23.495 -2.820 16.292 1.00 28.46 C -ATOM 1212 O GLY A 156 23.415 -3.508 15.239 1.00 24.83 O -ATOM 1213 N ASP A 157 23.198 -3.268 17.514 1.00 29.41 N -ATOM 1214 CA ASP A 157 22.853 -4.671 17.808 1.00 27.28 C -ATOM 1215 CB ASP A 157 23.270 -5.043 19.221 1.00 34.12 C -ATOM 1216 CG ASP A 157 24.762 -4.924 19.477 1.00 33.33 C -ATOM 1217 OD1 ASP A 157 25.530 -5.119 18.538 1.00 33.78 O -ATOM 1218 OD2 ASP A 157 25.121 -4.647 20.627 1.00 42.79 O -ATOM 1219 C ASP A 157 21.340 -4.855 17.658 1.00 27.66 C -ATOM 1220 O ASP A 157 20.611 -3.854 17.706 1.00 24.67 O -ATOM 1221 N ARG A 158 20.907 -6.115 17.581 1.00 27.60 N -ATOM 1222 CA ARG A 158 19.497 -6.488 17.399 1.00 26.41 C -ATOM 1223 CB ARG A 158 19.413 -8.002 17.137 1.00 24.35 C -ATOM 1224 CG ARG A 158 17.990 -8.550 17.123 1.00 25.25 C -ATOM 1225 CD ARG A 158 17.150 -8.138 15.930 1.00 24.85 C -ATOM 1226 NE ARG A 158 16.695 -6.760 15.973 1.00 23.76 N -ATOM 1227 CZ ARG A 158 15.755 -6.203 15.214 1.00 23.29 C -ATOM 1228 NH1 ARG A 158 15.081 -6.891 14.300 1.00 24.00 N -ATOM 1229 NH2 ARG A 158 15.556 -4.910 15.332 1.00 24.73 N -ATOM 1230 C ARG A 158 18.770 -6.013 18.654 1.00 28.26 C -ATOM 1231 O ARG A 158 17.682 -5.421 18.536 1.00 26.11 O -ATOM 1232 N PHE A 159 19.366 -6.309 19.816 1.00 28.58 N -ATOM 1233 CA PHE A 159 18.755 -6.172 21.154 1.00 23.77 C -ATOM 1234 CB PHE A 159 18.694 -7.569 21.762 1.00 20.34 C -ATOM 1235 CG PHE A 159 17.963 -8.608 20.938 1.00 23.26 C -ATOM 1236 CD1 PHE A 159 16.599 -8.504 20.698 1.00 20.94 C -ATOM 1237 CE1 PHE A 159 15.925 -9.469 19.958 1.00 22.37 C -ATOM 1238 CZ PHE A 159 16.594 -10.567 19.472 1.00 22.99 C -ATOM 1239 CD2 PHE A 159 18.627 -9.719 20.428 1.00 23.64 C -ATOM 1240 CE2 PHE A 159 17.949 -10.687 19.691 1.00 23.51 C -ATOM 1241 C PHE A 159 19.564 -5.186 22.004 1.00 26.17 C -ATOM 1242 O PHE A 159 20.178 -5.591 22.970 1.00 24.35 O -ATOM 1243 N PRO A 160 19.589 -3.860 21.734 1.00 25.53 N -ATOM 1244 CA PRO A 160 20.374 -2.958 22.580 1.00 23.84 C -ATOM 1245 CB PRO A 160 20.380 -1.669 21.757 1.00 23.40 C -ATOM 1246 CG PRO A 160 18.986 -1.676 21.094 1.00 23.22 C -ATOM 1247 CD PRO A 160 18.796 -3.141 20.713 1.00 24.45 C -ATOM 1248 C PRO A 160 19.697 -2.747 23.962 1.00 31.26 C -ATOM 1249 O PRO A 160 18.427 -2.730 24.076 1.00 27.42 O -ATOM 1250 N ALA A 161 20.516 -2.671 25.019 1.00 27.29 N -ATOM 1251 CA ALA A 161 20.110 -2.279 26.390 1.00 24.24 C -ATOM 1252 CB ALA A 161 21.260 -2.519 27.343 1.00 24.29 C -ATOM 1253 C ALA A 161 19.702 -0.798 26.432 1.00 23.42 C -ATOM 1254 O ALA A 161 20.311 0.028 25.756 1.00 24.26 O -ATOM 1255 N MET A 162 18.701 -0.446 27.228 1.00 26.08 N -ATOM 1256 CA MET A 162 18.302 0.969 27.398 1.00 25.64 C -ATOM 1257 CB MET A 162 16.865 1.156 26.903 1.00 31.57 C -ATOM 1258 CG MET A 162 16.731 1.142 25.429 1.00 33.03 C -ATOM 1259 SD MET A 162 17.675 2.435 24.612 1.00 30.39 S -ATOM 1260 CE MET A 162 18.118 1.460 23.181 1.00 28.82 C -ATOM 1261 C MET A 162 18.372 1.365 28.885 1.00 29.39 C -ATOM 1262 O MET A 162 18.006 2.526 29.199 1.00 27.40 O -ATOM 1263 N SER A 163 18.777 0.446 29.782 1.00 27.25 N -ATOM 1264 CA SER A 163 18.766 0.698 31.236 1.00 26.19 C -ATOM 1265 CB SER A 163 18.950 -0.550 32.029 1.00 24.38 C -ATOM 1266 OG SER A 163 20.059 -1.270 31.576 1.00 25.86 O -ATOM 1267 C SER A 163 19.801 1.777 31.562 1.00 28.68 C -ATOM 1268 O SER A 163 19.582 2.462 32.556 1.00 28.62 O -ATOM 1269 N ASP A 164 20.817 1.987 30.710 1.00 25.77 N -ATOM 1270 CA ASP A 164 21.800 3.087 30.896 1.00 28.62 C -ATOM 1271 CB ASP A 164 23.211 2.508 31.002 1.00 29.24 C -ATOM 1272 CG ASP A 164 23.714 1.816 29.743 1.00 37.88 C -ATOM 1273 OD1 ASP A 164 22.893 1.546 28.822 1.00 36.98 O -ATOM 1274 OD2 ASP A 164 24.934 1.560 29.688 1.00 42.01 O -ATOM 1275 C ASP A 164 21.649 4.162 29.792 1.00 28.79 C -ATOM 1276 O ASP A 164 22.658 4.757 29.448 1.00 25.01 O -ATOM 1277 N ALA A 165 20.444 4.458 29.270 1.00 30.97 N -ATOM 1278 CA ALA A 165 20.290 5.371 28.107 1.00 29.15 C -ATOM 1279 CB ALA A 165 18.868 5.408 27.622 1.00 25.72 C -ATOM 1280 C ALA A 165 20.786 6.781 28.483 1.00 30.25 C -ATOM 1281 O ALA A 165 21.377 7.431 27.611 1.00 27.83 O -ATOM 1282 N TYR A 166 20.547 7.236 29.727 1.00 27.25 N -ATOM 1283 CA TYR A 166 20.749 8.646 30.147 1.00 24.38 C -ATOM 1284 CB TYR A 166 19.542 9.168 30.929 1.00 26.51 C -ATOM 1285 CG TYR A 166 18.312 9.173 30.067 1.00 27.86 C -ATOM 1286 CD1 TYR A 166 18.100 10.196 29.158 1.00 28.25 C -ATOM 1287 CE1 TYR A 166 17.018 10.179 28.294 1.00 27.83 C -ATOM 1288 CZ TYR A 166 16.158 9.099 28.299 1.00 27.63 C -ATOM 1289 OH TYR A 166 15.101 9.080 27.458 1.00 26.45 O -ATOM 1290 CE2 TYR A 166 16.359 8.054 29.186 1.00 30.72 C -ATOM 1291 CD2 TYR A 166 17.455 8.086 30.041 1.00 29.21 C -ATOM 1292 C TYR A 166 22.090 8.713 30.870 1.00 24.01 C -ATOM 1293 O TYR A 166 22.197 8.332 32.028 1.00 19.70 O -ATOM 1294 N ASP A 167 23.093 9.193 30.150 1.00 28.07 N -ATOM 1295 CA ASP A 167 24.522 9.117 30.518 1.00 29.82 C -ATOM 1296 CB ASP A 167 25.349 10.003 29.607 1.00 34.82 C -ATOM 1297 CG ASP A 167 26.802 9.842 29.936 1.00 30.60 C -ATOM 1298 OD1 ASP A 167 27.314 8.768 29.622 1.00 31.99 O -ATOM 1299 OD2 ASP A 167 27.359 10.763 30.552 1.00 31.93 O -ATOM 1300 C ASP A 167 24.719 9.535 31.974 1.00 33.62 C -ATOM 1301 O ASP A 167 24.358 10.698 32.317 1.00 27.84 O -ATOM 1302 N ARG A 168 25.275 8.632 32.795 1.00 35.17 N -ATOM 1303 CA ARG A 168 25.510 8.906 34.232 1.00 39.05 C -ATOM 1304 CB ARG A 168 26.072 7.661 34.938 1.00 46.40 C -ATOM 1305 CG ARG A 168 26.193 7.800 36.451 1.00 61.92 C -ATOM 1306 CD ARG A 168 26.805 6.599 37.170 1.00 79.59 C -ATOM 1307 NE ARG A 168 28.045 6.119 36.559 1.00 94.73 N -ATOM 1308 CZ ARG A 168 28.785 5.094 36.994 1.00 96.28 C -ATOM 1309 NH1 ARG A 168 28.433 4.407 38.070 1.00 91.71 N -ATOM 1310 NH2 ARG A 168 29.885 4.758 36.338 1.00 90.91 N -ATOM 1311 C ARG A 168 26.418 10.143 34.299 1.00 34.69 C -ATOM 1312 O ARG A 168 26.061 11.089 35.012 1.00 37.29 O -ATOM 1313 N THR A 169 27.503 10.204 33.519 1.00 30.43 N -ATOM 1314 CA THR A 169 28.497 11.294 33.695 1.00 34.13 C -ATOM 1315 CB THR A 169 29.791 11.070 32.898 1.00 37.04 C -ATOM 1316 OG1 THR A 169 30.454 9.889 33.348 1.00 35.84 O -ATOM 1317 CG2 THR A 169 30.755 12.226 33.058 1.00 36.29 C -ATOM 1318 C THR A 169 27.823 12.648 33.408 1.00 32.97 C -ATOM 1319 O THR A 169 28.057 13.590 34.212 1.00 26.56 O -ATOM 1320 N MET A 170 26.998 12.757 32.348 1.00 28.48 N -ATOM 1321 CA MET A 170 26.378 14.049 31.961 1.00 27.76 C -ATOM 1322 CB MET A 170 25.725 13.928 30.586 1.00 30.98 C -ATOM 1323 CG MET A 170 26.745 13.718 29.499 1.00 33.50 C -ATOM 1324 SD MET A 170 28.125 14.886 29.671 1.00 45.39 S -ATOM 1325 CE MET A 170 27.225 16.438 29.623 1.00 37.47 C -ATOM 1326 C MET A 170 25.361 14.479 33.028 1.00 27.63 C -ATOM 1327 O MET A 170 25.305 15.686 33.348 1.00 27.38 O -ATOM 1328 N ARG A 171 24.653 13.512 33.617 1.00 32.08 N -ATOM 1329 CA ARG A 171 23.737 13.725 34.761 1.00 35.19 C -ATOM 1330 CB ARG A 171 23.162 12.385 35.235 1.00 39.85 C -ATOM 1331 CG ARG A 171 22.279 12.481 36.479 1.00 51.52 C -ATOM 1332 CD ARG A 171 22.177 11.225 37.354 1.00 61.63 C -ATOM 1333 NE ARG A 171 22.767 11.316 38.693 1.00 67.88 N -ATOM 1334 CZ ARG A 171 22.532 10.472 39.703 1.00 59.42 C -ATOM 1335 NH1 ARG A 171 21.703 9.448 39.567 1.00 58.76 N -ATOM 1336 NH2 ARG A 171 23.145 10.659 40.855 1.00 65.71 N -ATOM 1337 C ARG A 171 24.509 14.427 35.888 1.00 31.18 C -ATOM 1338 O ARG A 171 24.053 15.516 36.330 1.00 29.11 O -ATOM 1339 N GLN A 172 25.613 13.826 36.349 1.00 31.04 N -ATOM 1340 CA GLN A 172 26.422 14.358 37.485 1.00 33.96 C -ATOM 1341 CB GLN A 172 27.537 13.371 37.857 1.00 35.11 C -ATOM 1342 CG GLN A 172 27.010 12.147 38.605 1.00 46.26 C -ATOM 1343 CD GLN A 172 27.945 10.959 38.669 1.00 58.31 C -ATOM 1344 OE1 GLN A 172 28.979 10.903 38.001 1.00 64.71 O -ATOM 1345 NE2 GLN A 172 27.570 9.975 39.477 1.00 59.00 N -ATOM 1346 C GLN A 172 26.877 15.774 37.099 1.00 30.11 C -ATOM 1347 O GLN A 172 26.647 16.700 37.908 1.00 35.10 O -ATOM 1348 N ARG A 173 27.356 15.961 35.857 1.00 29.27 N -ATOM 1349 CA ARG A 173 27.933 17.247 35.389 1.00 27.83 C -ATOM 1350 CB ARG A 173 28.747 17.049 34.110 1.00 27.27 C -ATOM 1351 CG ARG A 173 30.138 16.486 34.371 1.00 29.73 C -ATOM 1352 CD ARG A 173 30.972 16.365 33.103 1.00 33.26 C -ATOM 1353 NE ARG A 173 32.108 15.451 33.228 1.00 36.52 N -ATOM 1354 CZ ARG A 173 32.849 14.992 32.213 1.00 36.14 C -ATOM 1355 NH1 ARG A 173 32.591 15.355 30.970 1.00 42.00 N -ATOM 1356 NH2 ARG A 173 33.856 14.168 32.443 1.00 36.64 N -ATOM 1357 C ARG A 173 26.812 18.283 35.268 1.00 28.43 C -ATOM 1358 O ARG A 173 27.094 19.455 35.535 1.00 27.64 O -ATOM 1359 N ALA A 174 25.566 17.872 35.000 1.00 27.13 N -ATOM 1360 CA ALA A 174 24.428 18.811 34.861 1.00 29.72 C -ATOM 1361 CB ALA A 174 23.293 18.154 34.101 1.00 31.77 C -ATOM 1362 C ALA A 174 23.999 19.292 36.255 1.00 31.18 C -ATOM 1363 O ALA A 174 23.716 20.519 36.426 1.00 28.89 O -ATOM 1364 N LEU A 175 23.959 18.358 37.217 1.00 34.69 N -ATOM 1365 CA LEU A 175 23.603 18.633 38.626 1.00 34.39 C -ATOM 1366 CB LEU A 175 23.556 17.329 39.434 1.00 35.04 C -ATOM 1367 CG LEU A 175 22.407 16.376 39.103 1.00 37.85 C -ATOM 1368 CD1 LEU A 175 22.654 15.011 39.722 1.00 38.06 C -ATOM 1369 CD2 LEU A 175 21.069 16.933 39.567 1.00 36.33 C -ATOM 1370 C LEU A 175 24.643 19.606 39.188 1.00 35.95 C -ATOM 1371 O LEU A 175 24.209 20.484 39.973 1.00 34.37 O -ATOM 1372 N SER A 176 25.921 19.485 38.764 1.00 37.41 N -ATOM 1373 CA SER A 176 27.088 20.257 39.300 1.00 39.87 C -ATOM 1374 CB SER A 176 28.404 19.550 39.096 1.00 33.50 C -ATOM 1375 OG SER A 176 28.424 18.349 39.857 1.00 38.58 O -ATOM 1376 C SER A 176 27.124 21.639 38.654 1.00 37.32 C -ATOM 1377 O SER A 176 27.151 22.617 39.407 1.00 32.72 O -ATOM 1378 N THR A 177 27.059 21.689 37.320 1.00 37.98 N -ATOM 1379 CA THR A 177 26.864 22.930 36.534 1.00 39.51 C -ATOM 1380 CB THR A 177 26.573 22.581 35.072 1.00 45.96 C -ATOM 1381 OG1 THR A 177 27.718 21.851 34.637 1.00 49.02 O -ATOM 1382 CG2 THR A 177 26.331 23.784 34.187 1.00 48.14 C -ATOM 1383 C THR A 177 25.778 23.762 37.225 1.00 38.70 C -ATOM 1384 O THR A 177 26.100 24.886 37.629 1.00 41.16 O -ATOM 1385 N TRP A 178 24.591 23.184 37.470 1.00 38.88 N -ATOM 1386 CA TRP A 178 23.385 23.911 37.952 1.00 38.60 C -ATOM 1387 CB TRP A 178 22.163 22.984 37.973 1.00 36.61 C -ATOM 1388 CG TRP A 178 20.904 23.627 38.465 1.00 33.56 C -ATOM 1389 CD1 TRP A 178 20.431 23.623 39.743 1.00 36.34 C -ATOM 1390 NE1 TRP A 178 19.253 24.315 39.821 1.00 36.56 N -ATOM 1391 CE2 TRP A 178 18.921 24.765 38.570 1.00 35.06 C -ATOM 1392 CD2 TRP A 178 19.951 24.371 37.692 1.00 33.84 C -ATOM 1393 CE3 TRP A 178 19.857 24.726 36.344 1.00 42.97 C -ATOM 1394 CZ3 TRP A 178 18.765 25.453 35.922 1.00 44.28 C -ATOM 1395 CH2 TRP A 178 17.769 25.850 36.816 1.00 41.56 C -ATOM 1396 CZ2 TRP A 178 17.822 25.509 38.145 1.00 35.02 C -ATOM 1397 C TRP A 178 23.677 24.561 39.313 1.00 42.94 C -ATOM 1398 O TRP A 178 23.293 25.743 39.482 1.00 38.77 O -ATOM 1399 N LYS A 179 24.382 23.854 40.213 1.00 51.92 N -ATOM 1400 CA LYS A 179 24.880 24.409 41.500 1.00 53.29 C -ATOM 1401 CB LYS A 179 25.392 23.320 42.456 1.00 61.54 C -ATOM 1402 CG LYS A 179 24.343 22.381 43.055 1.00 62.33 C -ATOM 1403 CD LYS A 179 23.199 23.058 43.809 1.00 61.86 C -ATOM 1404 CE LYS A 179 21.948 23.228 42.965 1.00 56.34 C -ATOM 1405 NZ LYS A 179 20.822 23.848 43.706 1.00 51.33 N -ATOM 1406 C LYS A 179 25.945 25.471 41.186 1.00 50.56 C -ATOM 1407 O LYS A 179 25.752 26.593 41.673 1.00 50.45 O -ATOM 1408 N GLN A 180 26.949 25.171 40.335 1.00 55.18 N -ATOM 1409 CA GLN A 180 28.035 26.112 39.902 1.00 53.97 C -ATOM 1410 CB GLN A 180 28.878 25.556 38.732 1.00 52.33 C -ATOM 1411 CG GLN A 180 28.860 26.410 37.451 1.00 52.38 C -ATOM 1412 CD GLN A 180 29.786 25.984 36.330 1.00 56.98 C -ATOM 1413 OE1 GLN A 180 30.205 26.795 35.494 1.00 52.12 O -ATOM 1414 NE2 GLN A 180 30.104 24.698 36.290 1.00 58.98 N -ATOM 1415 C GLN A 180 27.411 27.482 39.556 1.00 57.46 C -ATOM 1416 O GLN A 180 28.114 28.514 39.791 1.00 51.11 O -ATOM 1417 N MET A 181 26.149 27.499 39.072 1.00 49.13 N -ATOM 1418 CA MET A 181 25.422 28.691 38.551 1.00 50.98 C -ATOM 1419 CB MET A 181 24.430 28.270 37.462 1.00 51.96 C -ATOM 1420 CG MET A 181 25.107 27.772 36.208 1.00 52.73 C -ATOM 1421 SD MET A 181 24.052 26.677 35.237 1.00 59.14 S -ATOM 1422 CE MET A 181 22.900 27.854 34.525 1.00 58.10 C -ATOM 1423 C MET A 181 24.650 29.422 39.661 1.00 52.06 C -ATOM 1424 O MET A 181 24.333 30.608 39.441 1.00 59.18 O -ATOM 1425 N GLY A 182 24.303 28.741 40.763 1.00 51.47 N -ATOM 1426 CA GLY A 182 23.640 29.328 41.949 1.00 54.15 C -ATOM 1427 C GLY A 182 22.188 29.710 41.684 1.00 55.17 C -ATOM 1428 O GLY A 182 21.856 30.896 41.871 1.00 45.74 O -ATOM 1429 N GLU A 183 21.340 28.728 41.338 1.00 53.79 N -ATOM 1430 CA GLU A 183 19.936 28.912 40.879 1.00 51.08 C -ATOM 1431 CB GLU A 183 19.637 27.850 39.826 1.00 53.59 C -ATOM 1432 CG GLU A 183 20.504 27.979 38.587 1.00 53.53 C -ATOM 1433 CD GLU A 183 20.131 29.157 37.704 1.00 55.81 C -ATOM 1434 OE1 GLU A 183 18.956 29.587 37.774 1.00 66.93 O -ATOM 1435 OE2 GLU A 183 21.009 29.635 36.948 1.00 43.12 O -ATOM 1436 C GLU A 183 18.942 28.826 42.053 1.00 55.08 C -ATOM 1437 O GLU A 183 19.157 27.988 42.959 1.00 57.54 O -ATOM 1438 N GLN A 184 17.861 29.621 41.994 1.00 56.78 N -ATOM 1439 CA GLN A 184 16.789 29.732 43.026 1.00 56.97 C -ATOM 1440 CB GLN A 184 15.891 30.950 42.722 1.00 64.38 C -ATOM 1441 CG GLN A 184 14.880 30.827 41.573 1.00 76.67 C -ATOM 1442 CD GLN A 184 15.435 30.788 40.165 1.00 80.12 C -ATOM 1443 OE1 GLN A 184 16.140 29.854 39.761 1.00 82.94 O -ATOM 1444 NE2 GLN A 184 15.075 31.798 39.375 1.00 76.89 N -ATOM 1445 C GLN A 184 16.082 28.368 43.194 1.00 59.91 C -ATOM 1446 O GLN A 184 16.150 27.836 44.332 1.00 58.41 O -ATOM 1447 N ARG A 185 15.488 27.800 42.123 1.00 55.87 N -ATOM 1448 CA ARG A 185 14.830 26.460 42.092 1.00 50.40 C -ATOM 1449 CB ARG A 185 13.835 26.334 40.925 1.00 56.43 C -ATOM 1450 CG ARG A 185 12.522 27.095 41.088 1.00 56.80 C -ATOM 1451 CD ARG A 185 11.582 26.527 42.144 1.00 53.23 C -ATOM 1452 NE ARG A 185 11.037 25.207 41.826 1.00 48.36 N -ATOM 1453 CZ ARG A 185 10.350 24.432 42.674 1.00 48.10 C -ATOM 1454 NH1 ARG A 185 10.113 24.829 43.915 1.00 45.64 N -ATOM 1455 NH2 ARG A 185 9.898 23.251 42.280 1.00 44.50 N -ATOM 1456 C ARG A 185 15.911 25.372 41.962 1.00 45.69 C -ATOM 1457 O ARG A 185 16.920 25.610 41.252 1.00 42.17 O -ATOM 1458 N GLU A 186 15.699 24.206 42.587 1.00 40.73 N -ATOM 1459 CA GLU A 186 16.579 23.020 42.427 1.00 36.03 C -ATOM 1460 CB GLU A 186 16.359 22.009 43.550 1.00 40.87 C -ATOM 1461 CG GLU A 186 16.829 22.531 44.897 1.00 45.58 C -ATOM 1462 CD GLU A 186 16.793 21.517 46.024 1.00 49.88 C -ATOM 1463 OE1 GLU A 186 16.557 20.330 45.737 1.00 58.53 O -ATOM 1464 OE2 GLU A 186 17.012 21.917 47.182 1.00 54.42 O -ATOM 1465 C GLU A 186 16.292 22.411 41.056 1.00 35.26 C -ATOM 1466 O GLU A 186 15.133 22.438 40.631 1.00 28.70 O -ATOM 1467 N LEU A 187 17.335 21.927 40.389 1.00 30.53 N -ATOM 1468 CA LEU A 187 17.221 21.105 39.186 1.00 29.82 C -ATOM 1469 CB LEU A 187 18.629 20.796 38.684 1.00 28.95 C -ATOM 1470 CG LEU A 187 18.619 19.985 37.401 1.00 29.05 C -ATOM 1471 CD1 LEU A 187 17.828 20.729 36.338 1.00 36.18 C -ATOM 1472 CD2 LEU A 187 20.025 19.676 36.921 1.00 29.66 C -ATOM 1473 C LEU A 187 16.465 19.824 39.567 1.00 30.10 C -ATOM 1474 O LEU A 187 16.931 19.127 40.468 1.00 31.36 O -ATOM 1475 N GLN A 188 15.339 19.521 38.921 1.00 29.61 N -ATOM 1476 CA GLN A 188 14.573 18.282 39.211 1.00 27.38 C -ATOM 1477 CB GLN A 188 13.089 18.472 38.898 1.00 29.98 C -ATOM 1478 CG GLN A 188 12.434 19.624 39.645 1.00 33.60 C -ATOM 1479 CD GLN A 188 12.347 19.394 41.134 1.00 32.89 C -ATOM 1480 OE1 GLN A 188 12.323 18.270 41.621 1.00 37.01 O -ATOM 1481 NE2 GLN A 188 12.282 20.480 41.870 1.00 32.29 N -ATOM 1482 C GLN A 188 15.198 17.150 38.392 1.00 25.91 C -ATOM 1483 O GLN A 188 15.855 17.453 37.363 1.00 24.77 O -ATOM 1484 N GLU A 189 14.981 15.900 38.816 1.00 29.42 N -ATOM 1485 CA GLU A 189 15.440 14.665 38.124 1.00 27.76 C -ATOM 1486 CB GLU A 189 16.696 14.196 38.843 1.00 29.61 C -ATOM 1487 CG GLU A 189 17.336 12.985 38.234 1.00 35.12 C -ATOM 1488 CD GLU A 189 18.796 12.822 38.613 1.00 36.80 C -ATOM 1489 OE1 GLU A 189 19.143 13.012 39.791 1.00 42.13 O -ATOM 1490 OE2 GLU A 189 19.581 12.538 37.702 1.00 41.03 O -ATOM 1491 C GLU A 189 14.300 13.637 38.156 1.00 26.00 C -ATOM 1492 O GLU A 189 13.566 13.617 39.146 1.00 26.31 O -ATOM 1493 N GLY A 190 14.108 12.824 37.109 1.00 29.27 N -ATOM 1494 CA GLY A 190 13.031 11.826 37.123 1.00 24.15 C -ATOM 1495 C GLY A 190 12.764 11.160 35.784 1.00 28.64 C -ATOM 1496 O GLY A 190 13.561 11.269 34.830 1.00 26.69 O -ATOM 1497 N THR A 191 11.633 10.466 35.736 1.00 28.85 N -ATOM 1498 CA THR A 191 11.249 9.532 34.670 1.00 24.70 C -ATOM 1499 CB THR A 191 10.651 8.272 35.289 1.00 23.43 C -ATOM 1500 OG1 THR A 191 11.701 7.658 36.038 1.00 22.35 O -ATOM 1501 CG2 THR A 191 10.093 7.330 34.248 1.00 23.44 C -ATOM 1502 C THR A 191 10.287 10.255 33.744 1.00 22.75 C -ATOM 1503 O THR A 191 9.276 10.759 34.246 1.00 23.28 O -ATOM 1504 N TYR A 192 10.603 10.247 32.452 1.00 23.49 N -ATOM 1505 CA TYR A 192 9.759 10.800 31.376 1.00 23.85 C -ATOM 1506 CB TYR A 192 10.640 11.470 30.322 1.00 22.84 C -ATOM 1507 CG TYR A 192 9.887 11.992 29.120 1.00 24.21 C -ATOM 1508 CD1 TYR A 192 9.562 11.156 28.072 1.00 24.84 C -ATOM 1509 CE1 TYR A 192 8.904 11.636 26.955 1.00 22.88 C -ATOM 1510 CZ TYR A 192 8.525 12.956 26.893 1.00 25.48 C -ATOM 1511 OH TYR A 192 7.923 13.402 25.770 1.00 25.48 O -ATOM 1512 CE2 TYR A 192 8.838 13.818 27.930 1.00 26.68 C -ATOM 1513 CD2 TYR A 192 9.506 13.321 29.031 1.00 26.25 C -ATOM 1514 C TYR A 192 8.979 9.636 30.785 1.00 23.98 C -ATOM 1515 O TYR A 192 9.612 8.630 30.386 1.00 22.23 O -ATOM 1516 N VAL A 193 7.658 9.755 30.726 1.00 28.12 N -ATOM 1517 CA VAL A 193 6.827 8.728 30.042 1.00 26.25 C -ATOM 1518 CB VAL A 193 5.638 8.220 30.872 1.00 26.75 C -ATOM 1519 CG1 VAL A 193 4.709 9.350 31.300 1.00 25.89 C -ATOM 1520 CG2 VAL A 193 4.878 7.159 30.091 1.00 27.86 C -ATOM 1521 C VAL A 193 6.368 9.342 28.725 1.00 27.72 C -ATOM 1522 O VAL A 193 5.910 10.500 28.721 1.00 24.53 O -ATOM 1523 N MET A 194 6.500 8.571 27.645 1.00 30.27 N -ATOM 1524 CA MET A 194 6.011 8.966 26.319 1.00 27.87 C -ATOM 1525 CB MET A 194 6.943 8.501 25.205 1.00 31.69 C -ATOM 1526 CG MET A 194 6.382 8.915 23.852 1.00 31.30 C -ATOM 1527 SD MET A 194 7.174 8.086 22.525 1.00 37.61 S -ATOM 1528 CE MET A 194 6.502 9.078 21.192 1.00 37.50 C -ATOM 1529 C MET A 194 4.622 8.346 26.107 1.00 27.98 C -ATOM 1530 O MET A 194 4.465 7.128 26.377 1.00 24.64 O -ATOM 1531 N VAL A 195 3.688 9.177 25.635 1.00 24.78 N -ATOM 1532 CA VAL A 195 2.327 8.795 25.169 1.00 25.29 C -ATOM 1533 CB VAL A 195 1.212 9.269 26.114 1.00 23.63 C -ATOM 1534 CG1 VAL A 195 1.388 8.720 27.517 1.00 28.10 C -ATOM 1535 CG2 VAL A 195 1.107 10.776 26.137 1.00 22.25 C -ATOM 1536 C VAL A 195 2.187 9.441 23.797 1.00 28.92 C -ATOM 1537 O VAL A 195 2.814 10.498 23.569 1.00 22.56 O -ATOM 1538 N ALA A 196 1.365 8.867 22.927 1.00 27.17 N -ATOM 1539 CA ALA A 196 1.394 9.209 21.494 1.00 26.30 C -ATOM 1540 CB ALA A 196 0.765 8.075 20.734 1.00 27.39 C -ATOM 1541 C ALA A 196 0.682 10.554 21.313 1.00 26.24 C -ATOM 1542 O ALA A 196 1.176 11.345 20.527 1.00 27.98 O -ATOM 1543 N GLY A 197 -0.359 10.835 22.124 1.00 25.89 N -ATOM 1544 CA GLY A 197 -1.217 12.011 21.965 1.00 21.60 C -ATOM 1545 C GLY A 197 -2.008 11.861 20.674 1.00 20.52 C -ATOM 1546 O GLY A 197 -2.162 10.743 20.215 1.00 22.76 O -ATOM 1547 N PRO A 198 -2.473 12.954 20.027 1.00 19.50 N -ATOM 1548 CA PRO A 198 -2.123 14.322 20.424 1.00 22.06 C -ATOM 1549 CB PRO A 198 -2.269 15.049 19.076 1.00 20.85 C -ATOM 1550 CG PRO A 198 -3.490 14.408 18.486 1.00 19.42 C -ATOM 1551 CD PRO A 198 -3.318 12.938 18.828 1.00 20.67 C -ATOM 1552 C PRO A 198 -3.072 14.973 21.448 1.00 23.58 C -ATOM 1553 O PRO A 198 -2.784 16.089 21.868 1.00 22.16 O -ATOM 1554 N SER A 199 -4.234 14.354 21.736 1.00 23.68 N -ATOM 1555 CA SER A 199 -5.171 14.817 22.796 1.00 19.37 C -ATOM 1556 CB SER A 199 -6.441 14.026 22.791 1.00 20.76 C -ATOM 1557 OG SER A 199 -6.166 12.640 22.951 1.00 19.87 O -ATOM 1558 C SER A 199 -4.452 14.756 24.162 1.00 19.70 C -ATOM 1559 O SER A 199 -3.570 13.928 24.321 1.00 18.59 O -ATOM 1560 N PHE A 200 -4.775 15.637 25.117 1.00 24.29 N -ATOM 1561 CA PHE A 200 -4.120 15.622 26.446 1.00 22.91 C -ATOM 1562 CB PHE A 200 -4.150 17.006 27.094 1.00 25.50 C -ATOM 1563 CG PHE A 200 -3.193 18.024 26.532 1.00 29.49 C -ATOM 1564 CD1 PHE A 200 -1.835 17.926 26.745 1.00 35.95 C -ATOM 1565 CE1 PHE A 200 -0.959 18.885 26.260 1.00 34.61 C -ATOM 1566 CZ PHE A 200 -1.435 19.973 25.576 1.00 45.33 C -ATOM 1567 CD2 PHE A 200 -3.667 19.154 25.874 1.00 47.87 C -ATOM 1568 CE2 PHE A 200 -2.794 20.125 25.397 1.00 50.56 C -ATOM 1569 C PHE A 200 -4.817 14.560 27.311 1.00 23.34 C -ATOM 1570 O PHE A 200 -5.969 14.153 27.038 1.00 21.79 O -ATOM 1571 N GLU A 201 -4.183 14.227 28.427 1.00 22.13 N -ATOM 1572 CA GLU A 201 -4.575 13.140 29.347 1.00 21.70 C -ATOM 1573 CB GLU A 201 -3.421 12.813 30.293 1.00 24.91 C -ATOM 1574 CG GLU A 201 -2.182 12.367 29.547 1.00 26.77 C -ATOM 1575 CD GLU A 201 -1.374 13.478 28.879 1.00 28.84 C -ATOM 1576 OE1 GLU A 201 -1.503 14.652 29.274 1.00 29.61 O -ATOM 1577 OE2 GLU A 201 -0.618 13.162 27.949 1.00 30.57 O -ATOM 1578 C GLU A 201 -5.825 13.518 30.127 1.00 19.89 C -ATOM 1579 O GLU A 201 -6.008 14.718 30.498 1.00 17.20 O -ATOM 1580 N THR A 202 -6.659 12.498 30.372 1.00 22.32 N -ATOM 1581 CA THR A 202 -7.757 12.560 31.356 1.00 19.81 C -ATOM 1582 CB THR A 202 -8.769 11.436 31.163 1.00 19.74 C -ATOM 1583 OG1 THR A 202 -8.078 10.214 31.423 1.00 19.90 O -ATOM 1584 CG2 THR A 202 -9.402 11.458 29.793 1.00 19.92 C -ATOM 1585 C THR A 202 -7.169 12.458 32.769 1.00 20.78 C -ATOM 1586 O THR A 202 -5.989 12.073 32.914 1.00 17.77 O -ATOM 1587 N VAL A 203 -8.000 12.708 33.780 1.00 22.77 N -ATOM 1588 CA VAL A 203 -7.578 12.523 35.189 1.00 22.08 C -ATOM 1589 CB VAL A 203 -8.672 13.007 36.137 1.00 22.97 C -ATOM 1590 CG1 VAL A 203 -8.437 12.503 37.549 1.00 26.27 C -ATOM 1591 CG2 VAL A 203 -8.771 14.528 36.092 1.00 24.13 C -ATOM 1592 C VAL A 203 -7.184 11.053 35.391 1.00 23.13 C -ATOM 1593 O VAL A 203 -6.082 10.830 35.920 1.00 20.60 O -ATOM 1594 N ALA A 204 -7.973 10.098 34.858 1.00 19.66 N -ATOM 1595 CA ALA A 204 -7.789 8.676 35.152 1.00 17.79 C -ATOM 1596 CB ALA A 204 -8.951 7.857 34.645 1.00 17.14 C -ATOM 1597 C ALA A 204 -6.441 8.323 34.551 1.00 18.93 C -ATOM 1598 O ALA A 204 -5.694 7.583 35.191 1.00 21.58 O -ATOM 1599 N GLU A 205 -6.110 8.927 33.413 1.00 20.16 N -ATOM 1600 CA GLU A 205 -4.888 8.569 32.657 1.00 21.15 C -ATOM 1601 CB GLU A 205 -4.972 9.028 31.192 1.00 21.10 C -ATOM 1602 CG GLU A 205 -6.008 8.287 30.336 1.00 23.31 C -ATOM 1603 CD GLU A 205 -6.345 8.928 28.979 1.00 25.77 C -ATOM 1604 OE1 GLU A 205 -5.917 10.097 28.736 1.00 25.30 O -ATOM 1605 OE2 GLU A 205 -7.037 8.274 28.146 1.00 22.41 O -ATOM 1606 C GLU A 205 -3.712 9.176 33.438 1.00 23.25 C -ATOM 1607 O GLU A 205 -2.653 8.534 33.506 1.00 21.26 O -ATOM 1608 N CYS A 206 -3.892 10.378 33.996 1.00 24.26 N -ATOM 1609 CA CYS A 206 -2.814 11.057 34.735 1.00 27.26 C -ATOM 1610 CB CYS A 206 -3.202 12.492 35.062 1.00 29.99 C -ATOM 1611 SG CYS A 206 -2.291 13.172 36.475 1.00 40.76 S -ATOM 1612 C CYS A 206 -2.502 10.177 35.956 1.00 25.18 C -ATOM 1613 O CYS A 206 -1.318 9.932 36.223 1.00 20.81 O -ATOM 1614 N ARG A 207 -3.534 9.622 36.596 1.00 24.71 N -ATOM 1615 CA ARG A 207 -3.379 8.740 37.780 1.00 24.21 C -ATOM 1616 CB ARG A 207 -4.732 8.520 38.460 1.00 23.61 C -ATOM 1617 CG ARG A 207 -5.154 9.705 39.321 1.00 27.67 C -ATOM 1618 CD ARG A 207 -6.542 9.494 39.848 1.00 33.00 C -ATOM 1619 NE ARG A 207 -7.090 10.683 40.475 1.00 39.73 N -ATOM 1620 CZ ARG A 207 -8.308 10.761 41.013 1.00 42.24 C -ATOM 1621 NH1 ARG A 207 -9.119 9.713 41.003 1.00 42.31 N -ATOM 1622 NH2 ARG A 207 -8.705 11.890 41.574 1.00 45.70 N -ATOM 1623 C ARG A 207 -2.672 7.453 37.344 1.00 26.13 C -ATOM 1624 O ARG A 207 -1.885 6.946 38.127 1.00 27.63 O -ATOM 1625 N VAL A 208 -2.884 6.974 36.113 1.00 26.35 N -ATOM 1626 CA VAL A 208 -2.201 5.751 35.630 1.00 24.03 C -ATOM 1627 CB VAL A 208 -2.710 5.275 34.266 1.00 23.40 C -ATOM 1628 CG1 VAL A 208 -1.751 4.259 33.664 1.00 22.26 C -ATOM 1629 CG2 VAL A 208 -4.128 4.731 34.339 1.00 28.13 C -ATOM 1630 C VAL A 208 -0.710 6.067 35.566 1.00 27.56 C -ATOM 1631 O VAL A 208 0.083 5.254 36.083 1.00 22.53 O -ATOM 1632 N LEU A 209 -0.359 7.202 34.936 1.00 25.97 N -ATOM 1633 CA LEU A 209 1.039 7.544 34.621 1.00 23.61 C -ATOM 1634 CB LEU A 209 1.018 8.765 33.695 1.00 24.37 C -ATOM 1635 CG LEU A 209 0.353 8.555 32.333 1.00 24.24 C -ATOM 1636 CD1 LEU A 209 0.543 9.792 31.467 1.00 23.85 C -ATOM 1637 CD2 LEU A 209 0.921 7.332 31.598 1.00 27.10 C -ATOM 1638 C LEU A 209 1.776 7.769 35.950 1.00 24.41 C -ATOM 1639 O LEU A 209 2.939 7.368 36.040 1.00 30.29 O -ATOM 1640 N GLN A 210 1.093 8.316 36.965 1.00 25.78 N -ATOM 1641 CA GLN A 210 1.643 8.601 38.315 1.00 27.51 C -ATOM 1642 CB GLN A 210 0.667 9.437 39.145 1.00 27.97 C -ATOM 1643 CG GLN A 210 0.702 10.928 38.839 1.00 34.30 C -ATOM 1644 CD GLN A 210 -0.471 11.699 39.414 1.00 38.71 C -ATOM 1645 OE1 GLN A 210 -1.452 11.136 39.902 1.00 47.84 O -ATOM 1646 NE2 GLN A 210 -0.395 13.016 39.337 1.00 31.65 N -ATOM 1647 C GLN A 210 1.947 7.260 38.994 1.00 29.99 C -ATOM 1648 O GLN A 210 3.089 7.083 39.470 1.00 27.72 O -ATOM 1649 N LYS A 211 0.978 6.333 38.970 1.00 33.25 N -ATOM 1650 CA LYS A 211 1.089 4.964 39.539 1.00 31.62 C -ATOM 1651 CB LYS A 211 -0.253 4.236 39.437 1.00 36.75 C -ATOM 1652 CG LYS A 211 -1.346 4.767 40.349 1.00 43.92 C -ATOM 1653 CD LYS A 211 -2.732 4.250 39.978 1.00 51.55 C -ATOM 1654 CE LYS A 211 -3.730 4.384 41.116 1.00 55.64 C -ATOM 1655 NZ LYS A 211 -5.065 3.877 40.715 1.00 56.73 N -ATOM 1656 C LYS A 211 2.195 4.176 38.818 1.00 28.91 C -ATOM 1657 O LYS A 211 2.722 3.267 39.422 1.00 28.65 O -ATOM 1658 N LEU A 212 2.567 4.510 37.579 1.00 29.41 N -ATOM 1659 CA LEU A 212 3.629 3.765 36.857 1.00 28.94 C -ATOM 1660 CB LEU A 212 3.405 3.912 35.354 1.00 34.62 C -ATOM 1661 CG LEU A 212 2.140 3.257 34.822 1.00 38.59 C -ATOM 1662 CD1 LEU A 212 2.213 3.215 33.315 1.00 40.21 C -ATOM 1663 CD2 LEU A 212 1.931 1.869 35.400 1.00 43.27 C -ATOM 1664 C LEU A 212 5.010 4.300 37.251 1.00 29.24 C -ATOM 1665 O LEU A 212 6.021 3.675 36.831 1.00 29.61 O -ATOM 1666 N GLY A 213 5.059 5.408 38.007 1.00 28.73 N -ATOM 1667 CA GLY A 213 6.306 6.030 38.495 1.00 28.08 C -ATOM 1668 C GLY A 213 6.822 7.085 37.534 1.00 27.70 C -ATOM 1669 O GLY A 213 7.970 7.463 37.681 1.00 27.61 O -ATOM 1670 N ALA A 214 5.997 7.598 36.614 1.00 26.23 N -ATOM 1671 CA ALA A 214 6.428 8.672 35.699 1.00 26.96 C -ATOM 1672 CB ALA A 214 5.614 8.682 34.436 1.00 28.35 C -ATOM 1673 C ALA A 214 6.334 10.006 36.433 1.00 24.62 C -ATOM 1674 O ALA A 214 5.365 10.199 37.143 1.00 25.82 O -ATOM 1675 N ASP A 215 7.302 10.893 36.206 1.00 26.31 N -ATOM 1676 CA ASP A 215 7.406 12.228 36.845 1.00 25.02 C -ATOM 1677 CB ASP A 215 8.843 12.433 37.314 1.00 27.33 C -ATOM 1678 CG ASP A 215 9.252 11.433 38.386 1.00 27.22 C -ATOM 1679 OD1 ASP A 215 8.676 11.495 39.487 1.00 30.05 O -ATOM 1680 OD2 ASP A 215 10.123 10.588 38.084 1.00 27.44 O -ATOM 1681 C ASP A 215 6.970 13.324 35.863 1.00 27.47 C -ATOM 1682 O ASP A 215 6.499 14.381 36.315 1.00 24.46 O -ATOM 1683 N ALA A 216 7.159 13.102 34.557 1.00 25.53 N -ATOM 1684 CA ALA A 216 6.744 14.039 33.501 1.00 26.91 C -ATOM 1685 CB ALA A 216 7.910 14.919 33.111 1.00 23.14 C -ATOM 1686 C ALA A 216 6.199 13.226 32.322 1.00 23.61 C -ATOM 1687 O ALA A 216 6.666 12.086 32.117 1.00 23.32 O -ATOM 1688 N VAL A 217 5.270 13.808 31.556 1.00 26.42 N -ATOM 1689 CA VAL A 217 4.666 13.151 30.360 1.00 24.05 C -ATOM 1690 CB VAL A 217 3.196 12.787 30.603 1.00 22.83 C -ATOM 1691 CG1 VAL A 217 2.389 13.992 31.062 1.00 25.39 C -ATOM 1692 CG2 VAL A 217 2.574 12.146 29.375 1.00 23.40 C -ATOM 1693 C VAL A 217 4.806 14.081 29.161 1.00 25.36 C -ATOM 1694 O VAL A 217 4.523 15.305 29.306 1.00 25.31 O -ATOM 1695 N GLY A 218 5.175 13.505 28.009 1.00 27.67 N -ATOM 1696 CA GLY A 218 5.120 14.186 26.709 1.00 23.40 C -ATOM 1697 C GLY A 218 4.916 13.194 25.581 1.00 30.67 C -ATOM 1698 O GLY A 218 4.633 11.971 25.848 1.00 23.14 O -ATOM 1699 N MET A 219 5.118 13.666 24.349 1.00 29.02 N -ATOM 1700 CA MET A 219 4.715 12.912 23.142 1.00 24.45 C -ATOM 1701 CB MET A 219 3.567 13.653 22.466 1.00 22.91 C -ATOM 1702 CG MET A 219 2.393 13.862 23.382 1.00 22.88 C -ATOM 1703 SD MET A 219 1.159 14.873 22.557 1.00 22.49 S -ATOM 1704 CE MET A 219 -0.050 15.179 23.847 1.00 19.79 C -ATOM 1705 C MET A 219 5.902 12.749 22.199 1.00 26.58 C -ATOM 1706 O MET A 219 5.655 12.498 21.001 1.00 25.18 O -ATOM 1707 N SER A 220 7.142 12.839 22.721 1.00 26.59 N -ATOM 1708 CA SER A 220 8.362 12.807 21.890 1.00 26.60 C -ATOM 1709 CB SER A 220 8.740 14.232 21.581 1.00 31.11 C -ATOM 1710 OG SER A 220 9.250 14.873 22.760 1.00 30.61 O -ATOM 1711 C SER A 220 9.495 12.065 22.611 1.00 28.62 C -ATOM 1712 O SER A 220 9.211 11.378 23.587 1.00 25.16 O -ATOM 1713 N THR A 221 10.717 12.149 22.055 1.00 28.57 N -ATOM 1714 CA THR A 221 12.035 12.059 22.730 1.00 25.97 C -ATOM 1715 CB THR A 221 11.965 12.769 24.083 1.00 28.42 C -ATOM 1716 OG1 THR A 221 11.686 14.143 23.783 1.00 27.94 O -ATOM 1717 CG2 THR A 221 13.238 12.631 24.889 1.00 34.41 C -ATOM 1718 C THR A 221 12.493 10.600 22.788 1.00 26.95 C -ATOM 1719 O THR A 221 13.626 10.292 22.339 1.00 25.45 O -ATOM 1720 N VAL A 222 11.645 9.729 23.323 1.00 29.03 N -ATOM 1721 CA VAL A 222 12.020 8.328 23.631 1.00 25.47 C -ATOM 1722 CB VAL A 222 10.865 7.607 24.349 1.00 27.69 C -ATOM 1723 CG1 VAL A 222 11.007 6.099 24.367 1.00 31.38 C -ATOM 1724 CG2 VAL A 222 10.744 8.159 25.752 1.00 29.04 C -ATOM 1725 C VAL A 222 12.472 7.686 22.333 1.00 23.72 C -ATOM 1726 O VAL A 222 13.497 7.015 22.320 1.00 24.05 O -ATOM 1727 N PRO A 223 11.748 7.857 21.201 1.00 24.41 N -ATOM 1728 CA PRO A 223 12.161 7.174 19.979 1.00 24.99 C -ATOM 1729 CB PRO A 223 11.076 7.553 18.972 1.00 23.55 C -ATOM 1730 CG PRO A 223 9.862 7.885 19.828 1.00 21.15 C -ATOM 1731 CD PRO A 223 10.442 8.526 21.066 1.00 21.16 C -ATOM 1732 C PRO A 223 13.583 7.607 19.594 1.00 26.52 C -ATOM 1733 O PRO A 223 14.406 6.736 19.275 1.00 26.75 O -ATOM 1734 N GLU A 224 13.847 8.918 19.608 1.00 26.85 N -ATOM 1735 CA GLU A 224 15.168 9.470 19.233 1.00 28.25 C -ATOM 1736 CB GLU A 224 15.158 11.007 19.263 1.00 32.75 C -ATOM 1737 CG GLU A 224 14.311 11.639 18.180 1.00 39.12 C -ATOM 1738 CD GLU A 224 12.943 12.099 18.666 1.00 57.89 C -ATOM 1739 OE1 GLU A 224 12.223 11.257 19.319 1.00 43.45 O -ATOM 1740 OE2 GLU A 224 12.594 13.286 18.389 1.00 56.85 O -ATOM 1741 C GLU A 224 16.248 8.909 20.176 1.00 29.05 C -ATOM 1742 O GLU A 224 17.399 8.612 19.700 1.00 22.72 O -ATOM 1743 N VAL A 225 15.922 8.771 21.472 1.00 27.45 N -ATOM 1744 CA VAL A 225 16.885 8.272 22.485 1.00 26.38 C -ATOM 1745 CB VAL A 225 16.309 8.404 23.902 1.00 29.17 C -ATOM 1746 CG1 VAL A 225 17.102 7.578 24.918 1.00 29.84 C -ATOM 1747 CG2 VAL A 225 16.212 9.861 24.322 1.00 29.19 C -ATOM 1748 C VAL A 225 17.223 6.829 22.127 1.00 25.27 C -ATOM 1749 O VAL A 225 18.412 6.448 22.224 1.00 22.90 O -ATOM 1750 N ILE A 226 16.219 6.044 21.723 1.00 26.37 N -ATOM 1751 CA ILE A 226 16.429 4.589 21.506 1.00 24.80 C -ATOM 1752 CB ILE A 226 15.085 3.870 21.347 1.00 26.28 C -ATOM 1753 CG1 ILE A 226 14.375 3.797 22.702 1.00 28.88 C -ATOM 1754 CG2 ILE A 226 15.285 2.500 20.708 1.00 29.53 C -ATOM 1755 CD1 ILE A 226 12.972 3.269 22.661 1.00 28.01 C -ATOM 1756 C ILE A 226 17.367 4.483 20.306 1.00 24.03 C -ATOM 1757 O ILE A 226 18.326 3.715 20.359 1.00 28.04 O -ATOM 1758 N VAL A 227 17.184 5.334 19.295 1.00 28.07 N -ATOM 1759 CA VAL A 227 17.961 5.155 18.041 1.00 24.12 C -ATOM 1760 CB VAL A 227 17.264 5.859 16.867 1.00 23.29 C -ATOM 1761 CG1 VAL A 227 18.172 5.972 15.660 1.00 25.85 C -ATOM 1762 CG2 VAL A 227 15.963 5.144 16.486 1.00 25.78 C -ATOM 1763 C VAL A 227 19.380 5.637 18.329 1.00 23.66 C -ATOM 1764 O VAL A 227 20.337 5.016 17.812 1.00 22.65 O -ATOM 1765 N ALA A 228 19.507 6.695 19.149 1.00 24.36 N -ATOM 1766 CA ALA A 228 20.809 7.300 19.496 1.00 24.63 C -ATOM 1767 CB ALA A 228 20.598 8.553 20.297 1.00 27.07 C -ATOM 1768 C ALA A 228 21.610 6.226 20.225 1.00 25.70 C -ATOM 1769 O ALA A 228 22.754 5.933 19.811 1.00 24.75 O -ATOM 1770 N ARG A 229 20.981 5.561 21.201 1.00 28.64 N -ATOM 1771 CA ARG A 229 21.668 4.524 22.001 1.00 26.74 C -ATOM 1772 CB ARG A 229 20.805 4.129 23.197 1.00 27.47 C -ATOM 1773 CG ARG A 229 20.723 5.216 24.261 1.00 28.26 C -ATOM 1774 CD ARG A 229 22.092 5.659 24.744 1.00 23.99 C -ATOM 1775 NE ARG A 229 22.785 4.479 25.218 1.00 25.84 N -ATOM 1776 CZ ARG A 229 24.114 4.314 25.277 1.00 29.57 C -ATOM 1777 NH1 ARG A 229 24.943 5.268 24.911 1.00 31.31 N -ATOM 1778 NH2 ARG A 229 24.613 3.193 25.753 1.00 31.44 N -ATOM 1779 C ARG A 229 22.001 3.357 21.076 1.00 27.45 C -ATOM 1780 O ARG A 229 23.086 2.829 21.235 1.00 25.43 O -ATOM 1781 N HIS A 230 21.121 2.986 20.126 1.00 29.07 N -ATOM 1782 CA HIS A 230 21.354 1.832 19.220 1.00 26.44 C -ATOM 1783 CB HIS A 230 20.153 1.625 18.288 1.00 27.32 C -ATOM 1784 CG HIS A 230 20.305 0.484 17.346 1.00 22.93 C -ATOM 1785 ND1 HIS A 230 20.409 0.684 15.987 1.00 22.67 N -ATOM 1786 CE1 HIS A 230 20.518 -0.489 15.377 1.00 23.92 C -ATOM 1787 NE2 HIS A 230 20.487 -1.474 16.338 1.00 22.22 N -ATOM 1788 CD2 HIS A 230 20.325 -0.856 17.555 1.00 22.62 C -ATOM 1789 C HIS A 230 22.670 2.089 18.485 1.00 25.98 C -ATOM 1790 O HIS A 230 23.451 1.144 18.329 1.00 23.28 O -ATOM 1791 N CYS A 231 22.907 3.358 18.137 1.00 26.86 N -ATOM 1792 CA CYS A 231 24.075 3.880 17.401 1.00 29.98 C -ATOM 1793 CB CYS A 231 23.835 5.318 16.991 1.00 42.61 C -ATOM 1794 SG CYS A 231 22.877 5.371 15.502 1.00 43.21 S -ATOM 1795 C CYS A 231 25.327 4.084 18.247 1.00 27.75 C -ATOM 1796 O CYS A 231 26.332 4.386 17.609 1.00 24.89 O -ATOM 1797 N GLY A 232 25.211 4.103 19.581 1.00 34.19 N -ATOM 1798 CA GLY A 232 26.341 4.290 20.520 1.00 28.83 C -ATOM 1799 C GLY A 232 26.549 5.756 20.883 1.00 31.50 C -ATOM 1800 O GLY A 232 27.614 6.061 21.422 1.00 35.28 O -ATOM 1801 N LEU A 233 25.562 6.639 20.649 1.00 34.33 N -ATOM 1802 CA LEU A 233 25.680 8.066 21.035 1.00 30.97 C -ATOM 1803 CB LEU A 233 24.599 8.900 20.350 1.00 32.45 C -ATOM 1804 CG LEU A 233 24.617 8.937 18.822 1.00 31.08 C -ATOM 1805 CD1 LEU A 233 23.795 10.114 18.336 1.00 30.98 C -ATOM 1806 CD2 LEU A 233 26.022 9.026 18.278 1.00 39.31 C -ATOM 1807 C LEU A 233 25.567 8.193 22.557 1.00 31.14 C -ATOM 1808 O LEU A 233 24.808 7.430 23.186 1.00 27.33 O -ATOM 1809 N ARG A 234 26.295 9.142 23.136 1.00 29.02 N -ATOM 1810 CA ARG A 234 26.061 9.561 24.536 1.00 25.84 C -ATOM 1811 CB ARG A 234 27.251 10.393 25.013 1.00 29.18 C -ATOM 1812 CG ARG A 234 27.103 10.986 26.406 1.00 31.39 C -ATOM 1813 CD ARG A 234 28.212 11.986 26.631 1.00 27.00 C -ATOM 1814 NE ARG A 234 29.507 11.318 26.558 1.00 30.12 N -ATOM 1815 CZ ARG A 234 30.443 11.492 25.629 1.00 33.22 C -ATOM 1816 NH1 ARG A 234 30.257 12.311 24.603 1.00 30.60 N -ATOM 1817 NH2 ARG A 234 31.586 10.836 25.746 1.00 36.69 N -ATOM 1818 C ARG A 234 24.750 10.346 24.491 1.00 25.40 C -ATOM 1819 O ARG A 234 24.578 11.172 23.567 1.00 22.73 O -ATOM 1820 N VAL A 235 23.841 10.100 25.423 1.00 25.87 N -ATOM 1821 CA VAL A 235 22.524 10.781 25.418 1.00 23.70 C -ATOM 1822 CB VAL A 235 21.360 9.814 25.131 1.00 25.18 C -ATOM 1823 CG1 VAL A 235 20.023 10.550 25.190 1.00 23.84 C -ATOM 1824 CG2 VAL A 235 21.519 9.131 23.780 1.00 27.77 C -ATOM 1825 C VAL A 235 22.322 11.482 26.761 1.00 25.12 C -ATOM 1826 O VAL A 235 22.495 10.845 27.825 1.00 23.32 O -ATOM 1827 N PHE A 236 21.876 12.730 26.695 1.00 22.81 N -ATOM 1828 CA PHE A 236 21.501 13.501 27.882 1.00 27.40 C -ATOM 1829 CB PHE A 236 22.830 14.093 28.322 1.00 30.86 C -ATOM 1830 CG PHE A 236 22.904 15.572 28.363 1.00 38.13 C -ATOM 1831 CD1 PHE A 236 22.026 16.256 29.168 1.00 45.82 C -ATOM 1832 CE1 PHE A 236 22.106 17.627 29.243 1.00 58.82 C -ATOM 1833 CZ PHE A 236 23.096 18.314 28.562 1.00 78.01 C -ATOM 1834 CD2 PHE A 236 23.922 16.248 27.699 1.00 53.27 C -ATOM 1835 CE2 PHE A 236 24.007 17.628 27.784 1.00 62.72 C -ATOM 1836 C PHE A 236 20.279 14.352 27.522 1.00 26.78 C -ATOM 1837 O PHE A 236 20.158 14.745 26.371 1.00 25.94 O -ATOM 1838 N GLY A 237 19.371 14.610 28.460 1.00 26.89 N -ATOM 1839 CA GLY A 237 18.203 15.434 28.121 1.00 31.21 C -ATOM 1840 C GLY A 237 17.466 16.011 29.315 1.00 28.18 C -ATOM 1841 O GLY A 237 17.788 15.642 30.445 1.00 29.63 O -ATOM 1842 N PHE A 238 16.511 16.912 29.027 1.00 28.87 N -ATOM 1843 CA PHE A 238 15.703 17.689 29.998 1.00 27.01 C -ATOM 1844 CB PHE A 238 16.223 19.113 30.213 1.00 26.96 C -ATOM 1845 CG PHE A 238 17.702 19.144 30.401 1.00 30.68 C -ATOM 1846 CD1 PHE A 238 18.270 19.015 31.665 1.00 39.27 C -ATOM 1847 CE1 PHE A 238 19.649 19.025 31.825 1.00 37.32 C -ATOM 1848 CZ PHE A 238 20.454 19.163 30.719 1.00 39.37 C -ATOM 1849 CD2 PHE A 238 18.519 19.261 29.303 1.00 31.29 C -ATOM 1850 CE2 PHE A 238 19.893 19.280 29.458 1.00 36.82 C -ATOM 1851 C PHE A 238 14.311 17.928 29.454 1.00 23.80 C -ATOM 1852 O PHE A 238 14.176 18.155 28.246 1.00 25.53 O -ATOM 1853 N SER A 239 13.384 18.062 30.390 1.00 20.95 N -ATOM 1854 CA SER A 239 11.998 18.495 30.190 1.00 22.89 C -ATOM 1855 CB SER A 239 11.034 17.444 30.731 1.00 23.31 C -ATOM 1856 OG SER A 239 11.199 16.203 30.061 1.00 21.01 O -ATOM 1857 C SER A 239 11.837 19.831 30.902 1.00 22.04 C -ATOM 1858 O SER A 239 12.290 19.947 32.062 1.00 24.50 O -ATOM 1859 N LEU A 240 11.190 20.778 30.233 1.00 22.04 N -ATOM 1860 CA LEU A 240 10.625 21.990 30.854 1.00 20.68 C -ATOM 1861 CB LEU A 240 10.728 23.117 29.829 1.00 21.50 C -ATOM 1862 CG LEU A 240 10.178 24.466 30.273 1.00 22.79 C -ATOM 1863 CD1 LEU A 240 10.984 25.024 31.442 1.00 24.17 C -ATOM 1864 CD2 LEU A 240 10.184 25.413 29.078 1.00 23.71 C -ATOM 1865 C LEU A 240 9.182 21.644 31.241 1.00 23.73 C -ATOM 1866 O LEU A 240 8.406 21.186 30.374 1.00 23.29 O -ATOM 1867 N ILE A 241 8.835 21.795 32.514 1.00 25.27 N -ATOM 1868 CA ILE A 241 7.458 21.529 33.009 1.00 23.27 C -ATOM 1869 CB ILE A 241 7.450 21.213 34.502 1.00 23.10 C -ATOM 1870 CG1 ILE A 241 8.468 20.118 34.852 1.00 23.77 C -ATOM 1871 CG2 ILE A 241 6.040 20.869 34.948 1.00 24.79 C -ATOM 1872 CD1 ILE A 241 8.280 18.820 34.106 1.00 24.59 C -ATOM 1873 C ILE A 241 6.638 22.769 32.663 1.00 23.67 C -ATOM 1874 O ILE A 241 6.905 23.805 33.257 1.00 20.83 O -ATOM 1875 N THR A 242 5.747 22.661 31.667 1.00 23.08 N -ATOM 1876 CA THR A 242 4.972 23.791 31.107 1.00 21.12 C -ATOM 1877 CB THR A 242 4.843 23.626 29.590 1.00 24.81 C -ATOM 1878 OG1 THR A 242 4.338 22.310 29.325 1.00 21.78 O -ATOM 1879 CG2 THR A 242 6.161 23.842 28.874 1.00 25.03 C -ATOM 1880 C THR A 242 3.633 23.863 31.832 1.00 19.64 C -ATOM 1881 O THR A 242 3.006 24.927 31.811 1.00 21.94 O -ATOM 1882 N ASN A 243 3.214 22.763 32.457 1.00 21.08 N -ATOM 1883 CA ASN A 243 1.886 22.656 33.110 1.00 20.69 C -ATOM 1884 CB ASN A 243 0.779 22.507 32.063 1.00 19.22 C -ATOM 1885 CG ASN A 243 1.019 21.294 31.193 1.00 21.11 C -ATOM 1886 OD1 ASN A 243 2.032 21.213 30.490 1.00 22.44 O -ATOM 1887 ND2 ASN A 243 0.129 20.319 31.288 1.00 19.17 N -ATOM 1888 C ASN A 243 1.937 21.478 34.089 1.00 19.40 C -ATOM 1889 O ASN A 243 2.778 20.594 33.886 1.00 17.78 O -ATOM 1890 N LYS A 244 1.085 21.522 35.117 1.00 24.09 N -ATOM 1891 CA LYS A 244 0.805 20.441 36.096 1.00 25.26 C -ATOM 1892 CB LYS A 244 0.459 21.026 37.470 1.00 24.46 C -ATOM 1893 CG LYS A 244 1.623 21.578 38.275 1.00 26.45 C -ATOM 1894 CD LYS A 244 1.192 21.981 39.676 1.00 26.23 C -ATOM 1895 CE LYS A 244 2.124 21.464 40.747 1.00 30.12 C -ATOM 1896 NZ LYS A 244 2.094 22.325 41.957 1.00 36.76 N -ATOM 1897 C LYS A 244 -0.424 19.691 35.585 1.00 25.96 C -ATOM 1898 O LYS A 244 -1.497 20.335 35.475 1.00 25.71 O -ATOM 1899 N VAL A 245 -0.298 18.403 35.270 1.00 28.23 N -ATOM 1900 CA VAL A 245 -1.405 17.641 34.634 1.00 29.82 C -ATOM 1901 CB VAL A 245 -0.938 16.284 34.080 1.00 32.17 C -ATOM 1902 CG1 VAL A 245 0.351 16.421 33.293 1.00 29.77 C -ATOM 1903 CG2 VAL A 245 -0.783 15.268 35.176 1.00 39.76 C -ATOM 1904 C VAL A 245 -2.498 17.539 35.694 1.00 29.92 C -ATOM 1905 O VAL A 245 -2.146 17.418 36.887 1.00 29.07 O -ATOM 1906 N ILE A 246 -3.759 17.718 35.292 1.00 32.95 N -ATOM 1907 CA ILE A 246 -4.915 17.706 36.231 1.00 30.53 C -ATOM 1908 CB ILE A 246 -6.233 18.130 35.548 1.00 33.58 C -ATOM 1909 CG1 ILE A 246 -6.072 19.290 34.556 1.00 37.19 C -ATOM 1910 CG2 ILE A 246 -7.286 18.439 36.593 1.00 36.36 C -ATOM 1911 CD1 ILE A 246 -5.361 20.498 35.098 1.00 37.13 C -ATOM 1912 C ILE A 246 -4.977 16.274 36.781 1.00 32.84 C -ATOM 1913 O ILE A 246 -5.063 15.315 35.929 1.00 22.79 O -ATOM 1914 N MET A 247 -4.876 16.105 38.111 1.00 29.93 N -ATOM 1915 CA MET A 247 -4.812 14.758 38.740 1.00 32.09 C -ATOM 1916 CB MET A 247 -3.478 14.548 39.460 1.00 39.17 C -ATOM 1917 CG MET A 247 -3.288 15.417 40.690 1.00 45.15 C -ATOM 1918 SD MET A 247 -1.894 14.836 41.694 1.00 55.84 S -ATOM 1919 CE MET A 247 -2.615 13.367 42.432 1.00 59.76 C -ATOM 1920 C MET A 247 -5.992 14.505 39.698 1.00 31.24 C -ATOM 1921 O MET A 247 -5.952 13.446 40.373 1.00 31.44 O -ATOM 1922 N ASP A 248 -7.014 15.380 39.741 1.00 29.16 N -ATOM 1923 CA ASP A 248 -8.261 15.154 40.519 1.00 29.84 C -ATOM 1924 CB ASP A 248 -8.072 15.511 41.991 1.00 36.91 C -ATOM 1925 CG ASP A 248 -7.537 16.913 42.180 1.00 40.29 C -ATOM 1926 OD1 ASP A 248 -8.320 17.876 41.986 1.00 42.03 O -ATOM 1927 OD2 ASP A 248 -6.331 17.021 42.466 1.00 43.62 O -ATOM 1928 C ASP A 248 -9.429 15.928 39.884 1.00 28.31 C -ATOM 1929 O ASP A 248 -9.165 16.824 39.052 1.00 32.77 O -ATOM 1930 N TYR A 249 -10.668 15.590 40.268 1.00 27.18 N -ATOM 1931 CA TYR A 249 -11.929 16.024 39.608 1.00 29.16 C -ATOM 1932 CB TYR A 249 -13.014 14.949 39.778 1.00 24.81 C -ATOM 1933 CG TYR A 249 -12.684 13.681 39.021 1.00 23.09 C -ATOM 1934 CD1 TYR A 249 -12.577 13.690 37.634 1.00 22.42 C -ATOM 1935 CE1 TYR A 249 -12.228 12.548 36.921 1.00 23.37 C -ATOM 1936 CZ TYR A 249 -11.988 11.362 37.599 1.00 22.80 C -ATOM 1937 OH TYR A 249 -11.625 10.253 36.891 1.00 21.32 O -ATOM 1938 CE2 TYR A 249 -12.087 11.335 38.991 1.00 21.20 C -ATOM 1939 CD2 TYR A 249 -12.411 12.492 39.682 1.00 20.43 C -ATOM 1940 C TYR A 249 -12.318 17.430 40.083 1.00 35.71 C -ATOM 1941 O TYR A 249 -13.083 18.086 39.339 1.00 39.37 O -ATOM 1942 N GLU A 250 -11.760 17.918 41.203 1.00 47.59 N -ATOM 1943 CA GLU A 250 -12.023 19.294 41.719 1.00 54.16 C -ATOM 1944 CB GLU A 250 -11.193 19.598 42.972 1.00 59.15 C -ATOM 1945 CG GLU A 250 -11.745 18.976 44.245 1.00 65.18 C -ATOM 1946 CD GLU A 250 -11.281 17.554 44.519 1.00 71.95 C -ATOM 1947 OE1 GLU A 250 -10.874 16.856 43.558 1.00 69.48 O -ATOM 1948 OE2 GLU A 250 -11.326 17.146 45.697 1.00 71.54 O -ATOM 1949 C GLU A 250 -11.745 20.326 40.608 1.00 57.00 C -ATOM 1950 O GLU A 250 -12.609 21.198 40.399 1.00 52.90 O -ATOM 1951 N SER A 251 -10.640 20.184 39.859 1.00 65.65 N -ATOM 1952 CA SER A 251 -10.044 21.265 39.029 1.00 60.48 C -ATOM 1953 CB SER A 251 -8.675 20.897 38.571 1.00 55.62 C -ATOM 1954 OG SER A 251 -8.012 22.050 38.084 1.00 56.01 O -ATOM 1955 C SER A 251 -10.951 21.672 37.851 1.00 63.00 C -ATOM 1956 O SER A 251 -11.409 20.784 37.098 1.00 52.14 O -ATOM 1957 N LEU A 252 -11.144 22.991 37.698 1.00 74.56 N -ATOM 1958 CA LEU A 252 -11.903 23.676 36.614 1.00 74.97 C -ATOM 1959 CB LEU A 252 -12.810 24.739 37.249 1.00 73.69 C -ATOM 1960 CG LEU A 252 -14.268 24.329 37.436 1.00 74.79 C -ATOM 1961 CD1 LEU A 252 -14.948 24.144 36.087 1.00 72.32 C -ATOM 1962 CD2 LEU A 252 -14.380 23.065 38.277 1.00 72.84 C -ATOM 1963 C LEU A 252 -10.922 24.318 35.620 1.00 75.14 C -ATOM 1964 O LEU A 252 -11.344 25.258 34.910 1.00 74.34 O -ATOM 1965 N GLU A 253 -9.672 23.828 35.570 1.00 69.28 N -ATOM 1966 CA GLU A 253 -8.602 24.274 34.634 1.00 69.47 C -ATOM 1967 CB GLU A 253 -7.410 24.833 35.419 1.00 67.65 C -ATOM 1968 CG GLU A 253 -7.713 26.149 36.123 1.00 67.81 C -ATOM 1969 CD GLU A 253 -6.514 26.995 36.520 1.00 67.58 C -ATOM 1970 OE1 GLU A 253 -5.378 26.645 36.137 1.00 60.78 O -ATOM 1971 OE2 GLU A 253 -6.726 28.014 37.212 1.00 70.74 O -ATOM 1972 C GLU A 253 -8.214 23.080 33.746 1.00 68.08 C -ATOM 1973 O GLU A 253 -8.326 21.933 34.243 1.00 72.05 O -ATOM 1974 N LYS A 254 -7.815 23.324 32.485 1.00 64.58 N -ATOM 1975 CA LYS A 254 -7.515 22.264 31.476 1.00 61.17 C -ATOM 1976 CB LYS A 254 -8.713 22.086 30.534 1.00 51.20 C -ATOM 1977 CG LYS A 254 -9.323 23.376 30.004 1.00 55.28 C -ATOM 1978 CD LYS A 254 -10.111 23.181 28.734 1.00 58.91 C -ATOM 1979 CE LYS A 254 -11.084 22.024 28.816 1.00 61.37 C -ATOM 1980 NZ LYS A 254 -11.771 21.778 27.523 1.00 60.17 N -ATOM 1981 C LYS A 254 -6.208 22.586 30.720 1.00 57.91 C -ATOM 1982 O LYS A 254 -5.967 23.789 30.421 1.00 48.03 O -ATOM 1983 N ALA A 255 -5.421 21.540 30.401 1.00 57.71 N -ATOM 1984 CA ALA A 255 -4.168 21.577 29.599 1.00 59.07 C -ATOM 1985 CB ALA A 255 -3.560 20.193 29.531 1.00 53.77 C -ATOM 1986 C ALA A 255 -4.447 22.125 28.186 1.00 62.00 C -ATOM 1987 O ALA A 255 -5.435 21.672 27.556 1.00 53.62 O -ATOM 1988 N ASN A 256 -3.614 23.066 27.711 1.00 60.02 N -ATOM 1989 CA ASN A 256 -3.795 23.790 26.422 1.00 54.77 C -ATOM 1990 CB ASN A 256 -4.762 24.966 26.585 1.00 57.20 C -ATOM 1991 CG ASN A 256 -4.397 25.874 27.744 1.00 55.64 C -ATOM 1992 OD1 ASN A 256 -3.470 26.670 27.632 1.00 44.90 O -ATOM 1993 ND2 ASN A 256 -5.108 25.761 28.856 1.00 46.84 N -ATOM 1994 C ASN A 256 -2.423 24.225 25.880 1.00 59.42 C -ATOM 1995 O ASN A 256 -1.527 24.537 26.712 1.00 60.17 O -ATOM 1996 N PHE A 257 -2.280 24.264 24.542 1.00 62.67 N -ATOM 1997 CA PHE A 257 -1.058 24.661 23.784 1.00 68.20 C -ATOM 1998 CB PHE A 257 -1.316 24.505 22.276 1.00 66.84 C -ATOM 1999 CG PHE A 257 -0.346 25.175 21.327 1.00 69.68 C -ATOM 2000 CD2 PHE A 257 0.725 24.473 20.788 1.00 62.05 C -ATOM 2001 CE2 PHE A 257 1.599 25.084 19.898 1.00 69.25 C -ATOM 2002 CZ PHE A 257 1.410 26.403 19.532 1.00 70.38 C -ATOM 2003 CD1 PHE A 257 -0.536 26.497 20.926 1.00 67.98 C -ATOM 2004 CE1 PHE A 257 0.344 27.111 20.045 1.00 64.52 C -ATOM 2005 C PHE A 257 -0.623 26.076 24.218 1.00 63.72 C -ATOM 2006 O PHE A 257 0.602 26.356 24.134 1.00 55.20 O -ATOM 2007 N GLU A 258 -1.571 26.900 24.704 1.00 67.70 N -ATOM 2008 CA GLU A 258 -1.362 28.266 25.278 1.00 68.18 C -ATOM 2009 CB GLU A 258 -2.731 28.940 25.488 1.00 71.59 C -ATOM 2010 CG GLU A 258 -2.901 29.765 26.766 1.00 76.51 C -ATOM 2011 CD GLU A 258 -4.039 29.305 27.672 1.00 80.37 C -ATOM 2012 OE1 GLU A 258 -5.086 28.866 27.140 1.00 87.14 O -ATOM 2013 OE2 GLU A 258 -3.868 29.362 28.912 1.00 73.75 O -ATOM 2014 C GLU A 258 -0.467 28.162 26.530 1.00 72.19 C -ATOM 2015 O GLU A 258 0.551 28.893 26.549 1.00 68.68 O -ATOM 2016 N GLU A 259 -0.798 27.286 27.504 1.00 75.40 N -ATOM 2017 CA GLU A 259 0.030 26.988 28.711 1.00 74.70 C -ATOM 2018 CB GLU A 259 -0.542 25.819 29.539 1.00 81.13 C -ATOM 2019 CG GLU A 259 -1.313 26.233 30.791 1.00 85.73 C -ATOM 2020 CD GLU A 259 -0.615 26.020 32.134 1.00 85.17 C -ATOM 2021 OE1 GLU A 259 0.509 26.543 32.318 1.00 78.12 O -ATOM 2022 OE2 GLU A 259 -1.199 25.332 33.009 1.00 64.62 O -ATOM 2023 C GLU A 259 1.470 26.711 28.245 1.00 72.60 C -ATOM 2024 O GLU A 259 2.376 27.425 28.733 1.00 60.09 O -ATOM 2025 N VAL A 260 1.652 25.798 27.273 1.00 62.02 N -ATOM 2026 CA VAL A 260 2.951 25.149 26.914 1.00 63.73 C -ATOM 2027 CB VAL A 260 2.724 23.912 26.013 1.00 55.29 C -ATOM 2028 CG1 VAL A 260 4.033 23.258 25.577 1.00 47.60 C -ATOM 2029 CG2 VAL A 260 1.814 22.887 26.685 1.00 54.19 C -ATOM 2030 C VAL A 260 3.927 26.175 26.297 1.00 68.55 C -ATOM 2031 O VAL A 260 5.148 26.085 26.611 1.00 71.74 O -ATOM 2032 N LEU A 261 3.449 27.123 25.477 1.00 65.88 N -ATOM 2033 CA LEU A 261 4.337 28.104 24.792 1.00 71.54 C -ATOM 2034 CB LEU A 261 3.780 28.456 23.402 1.00 73.19 C -ATOM 2035 CG LEU A 261 3.934 27.384 22.310 1.00 80.12 C -ATOM 2036 CD1 LEU A 261 4.132 28.023 20.939 1.00 75.17 C -ATOM 2037 CD2 LEU A 261 5.081 26.417 22.590 1.00 76.01 C -ATOM 2038 C LEU A 261 4.566 29.343 25.682 1.00 67.40 C -ATOM 2039 O LEU A 261 5.657 29.936 25.531 1.00 67.49 O -ATOM 2040 N ALA A 262 3.647 29.665 26.619 1.00 65.39 N -ATOM 2041 CA ALA A 262 3.741 30.785 27.599 1.00 61.57 C -ATOM 2042 CB ALA A 262 2.364 31.195 28.086 1.00 52.26 C -ATOM 2043 C ALA A 262 4.656 30.397 28.776 1.00 64.43 C -ATOM 2044 O ALA A 262 5.275 31.305 29.387 1.00 68.25 O -ATOM 2045 N ALA A 263 4.747 29.100 29.098 1.00 62.96 N -ATOM 2046 CA ALA A 263 5.805 28.556 29.976 1.00 57.95 C -ATOM 2047 CB ALA A 263 5.417 27.197 30.483 1.00 49.63 C -ATOM 2048 C ALA A 263 7.116 28.555 29.175 1.00 63.38 C -ATOM 2049 O ALA A 263 8.068 29.261 29.625 1.00 66.80 O -ATOM 2050 N GLY A 264 7.136 27.849 28.024 1.00 55.17 N -ATOM 2051 CA GLY A 264 8.160 27.917 26.960 1.00 51.23 C -ATOM 2052 C GLY A 264 8.557 29.329 26.502 1.00 62.82 C -ATOM 2053 O GLY A 264 9.270 29.407 25.473 1.00 70.94 O -ATOM 2054 N LYS A 265 8.174 30.417 27.197 1.00 69.64 N -ATOM 2055 CA LYS A 265 8.709 31.786 26.924 1.00 68.50 C -ATOM 2056 CB LYS A 265 7.629 32.704 26.319 1.00 71.98 C -ATOM 2057 CG LYS A 265 6.690 33.431 27.281 1.00 76.97 C -ATOM 2058 CD LYS A 265 5.475 34.054 26.600 1.00 74.76 C -ATOM 2059 CE LYS A 265 4.336 34.397 27.541 1.00 68.35 C -ATOM 2060 NZ LYS A 265 4.433 35.789 28.037 1.00 76.45 N -ATOM 2061 C LYS A 265 9.427 32.333 28.178 1.00 54.37 C -ATOM 2062 O LYS A 265 10.490 32.967 27.982 1.00 49.56 O -ATOM 2063 N GLN A 266 8.948 32.057 29.406 1.00 54.42 N -ATOM 2064 CA GLN A 266 9.532 32.645 30.653 1.00 62.08 C -ATOM 2065 CB GLN A 266 8.595 32.530 31.873 1.00 59.09 C -ATOM 2066 CG GLN A 266 7.156 32.980 31.664 1.00 56.61 C -ATOM 2067 CD GLN A 266 7.031 34.326 30.998 1.00 56.87 C -ATOM 2068 OE1 GLN A 266 7.812 35.243 31.244 1.00 46.88 O -ATOM 2069 NE2 GLN A 266 6.033 34.441 30.138 1.00 59.82 N -ATOM 2070 C GLN A 266 10.878 31.956 30.953 1.00 59.31 C -ATOM 2071 O GLN A 266 11.949 32.560 30.677 1.00 48.07 O -ATOM 2072 N ALA A 267 10.798 30.720 31.463 1.00 57.75 N -ATOM 2073 CA ALA A 267 11.897 29.856 31.944 1.00 54.29 C -ATOM 2074 CB ALA A 267 11.351 28.911 32.991 1.00 46.83 C -ATOM 2075 C ALA A 267 12.523 29.077 30.778 1.00 47.06 C -ATOM 2076 O ALA A 267 13.359 28.187 31.038 1.00 40.01 O -ATOM 2077 N ALA A 268 12.179 29.394 29.535 1.00 44.61 N -ATOM 2078 CA ALA A 268 12.697 28.611 28.393 1.00 52.64 C -ATOM 2079 CB ALA A 268 11.849 28.818 27.153 1.00 51.07 C -ATOM 2080 C ALA A 268 14.160 29.018 28.207 1.00 44.56 C -ATOM 2081 O ALA A 268 14.996 28.114 27.932 1.00 41.59 O -ATOM 2082 N GLN A 269 14.438 30.305 28.430 1.00 38.86 N -ATOM 2083 CA GLN A 269 15.762 30.958 28.258 1.00 47.65 C -ATOM 2084 CB GLN A 269 15.598 32.478 28.309 1.00 44.82 C -ATOM 2085 CG GLN A 269 14.787 33.012 27.138 1.00 48.49 C -ATOM 2086 CD GLN A 269 15.076 34.463 26.845 1.00 53.83 C -ATOM 2087 OE1 GLN A 269 15.642 35.181 27.669 1.00 52.52 O -ATOM 2088 NE2 GLN A 269 14.690 34.905 25.660 1.00 53.10 N -ATOM 2089 C GLN A 269 16.756 30.498 29.339 1.00 52.22 C -ATOM 2090 O GLN A 269 17.960 30.417 29.022 1.00 58.11 O -ATOM 2091 N LYS A 270 16.307 30.203 30.562 1.00 41.81 N -ATOM 2092 CA LYS A 270 17.183 29.534 31.556 1.00 39.48 C -ATOM 2093 CB LYS A 270 16.443 29.322 32.882 1.00 36.75 C -ATOM 2094 CG LYS A 270 17.261 28.624 33.968 1.00 38.55 C -ATOM 2095 CD LYS A 270 18.621 29.284 34.266 1.00 40.44 C -ATOM 2096 CE LYS A 270 18.511 30.699 34.806 1.00 39.26 C -ATOM 2097 NZ LYS A 270 19.772 31.462 34.626 1.00 38.84 N -ATOM 2098 C LYS A 270 17.706 28.218 30.937 1.00 37.25 C -ATOM 2099 O LYS A 270 18.948 27.960 31.034 1.00 24.17 O -ATOM 2100 N LEU A 271 16.821 27.424 30.295 1.00 39.21 N -ATOM 2101 CA LEU A 271 17.160 26.084 29.717 1.00 38.15 C -ATOM 2102 CB LEU A 271 15.897 25.356 29.219 1.00 39.38 C -ATOM 2103 CG LEU A 271 15.891 23.830 29.406 1.00 48.17 C -ATOM 2104 CD1 LEU A 271 14.681 23.172 28.755 1.00 47.19 C -ATOM 2105 CD2 LEU A 271 17.146 23.168 28.871 1.00 51.09 C -ATOM 2106 C LEU A 271 18.211 26.285 28.608 1.00 34.30 C -ATOM 2107 O LEU A 271 19.122 25.421 28.497 1.00 36.19 O -ATOM 2108 N GLU A 272 18.137 27.413 27.888 1.00 31.05 N -ATOM 2109 CA GLU A 272 19.000 27.763 26.736 1.00 38.04 C -ATOM 2110 CB GLU A 272 18.513 29.052 26.053 1.00 46.21 C -ATOM 2111 CG GLU A 272 17.352 28.866 25.081 1.00 57.64 C -ATOM 2112 CD GLU A 272 16.900 30.144 24.379 1.00 67.24 C -ATOM 2113 OE1 GLU A 272 17.604 31.191 24.483 1.00 69.84 O -ATOM 2114 OE2 GLU A 272 15.840 30.098 23.729 1.00 74.62 O -ATOM 2115 C GLU A 272 20.427 27.926 27.257 1.00 41.27 C -ATOM 2116 O GLU A 272 21.275 27.077 26.908 1.00 46.33 O -ATOM 2117 N GLN A 273 20.630 28.964 28.088 1.00 40.87 N -ATOM 2118 CA GLN A 273 21.844 29.235 28.893 1.00 34.89 C -ATOM 2119 CB GLN A 273 21.545 30.295 29.955 1.00 33.00 C -ATOM 2120 CG GLN A 273 22.806 30.880 30.567 1.00 38.79 C -ATOM 2121 CD GLN A 273 22.592 31.529 31.914 1.00 39.50 C -ATOM 2122 OE1 GLN A 273 21.647 31.213 32.640 1.00 37.30 O -ATOM 2123 NE2 GLN A 273 23.499 32.432 32.266 1.00 36.39 N -ATOM 2124 C GLN A 273 22.346 27.908 29.480 1.00 29.74 C -ATOM 2125 O GLN A 273 23.544 27.624 29.289 1.00 31.84 O -ATOM 2126 N PHE A 274 21.470 27.087 30.084 1.00 25.23 N -ATOM 2127 CA PHE A 274 21.893 25.865 30.812 1.00 26.00 C -ATOM 2128 CB PHE A 274 20.720 25.243 31.579 1.00 27.65 C -ATOM 2129 CG PHE A 274 21.097 24.091 32.478 1.00 28.99 C -ATOM 2130 CD1 PHE A 274 22.269 24.115 33.228 1.00 41.46 C -ATOM 2131 CE1 PHE A 274 22.611 23.052 34.055 1.00 42.27 C -ATOM 2132 CZ PHE A 274 21.782 21.956 34.146 1.00 37.89 C -ATOM 2133 CD2 PHE A 274 20.272 22.990 32.604 1.00 33.67 C -ATOM 2134 CE2 PHE A 274 20.607 21.932 33.438 1.00 33.14 C -ATOM 2135 C PHE A 274 22.595 24.938 29.810 1.00 27.34 C -ATOM 2136 O PHE A 274 23.758 24.527 30.053 1.00 25.90 O -ATOM 2137 N VAL A 275 21.957 24.714 28.659 1.00 29.13 N -ATOM 2138 CA VAL A 275 22.426 23.769 27.606 1.00 29.34 C -ATOM 2139 CB VAL A 275 21.331 23.562 26.548 1.00 29.62 C -ATOM 2140 CG1 VAL A 275 21.894 23.000 25.247 1.00 28.55 C -ATOM 2141 CG2 VAL A 275 20.239 22.675 27.113 1.00 28.78 C -ATOM 2142 C VAL A 275 23.727 24.286 26.986 1.00 24.32 C -ATOM 2143 O VAL A 275 24.639 23.470 26.706 1.00 28.58 O -ATOM 2144 N SER A 276 23.812 25.595 26.808 1.00 24.44 N -ATOM 2145 CA SER A 276 25.012 26.268 26.283 1.00 27.12 C -ATOM 2146 CB SER A 276 24.746 27.723 26.016 1.00 26.82 C -ATOM 2147 OG SER A 276 25.982 28.358 25.763 1.00 31.70 O -ATOM 2148 C SER A 276 26.181 26.052 27.259 1.00 23.53 C -ATOM 2149 O SER A 276 27.258 25.637 26.800 1.00 23.81 O -ATOM 2150 N ILE A 277 25.982 26.270 28.561 1.00 26.85 N -ATOM 2151 CA ILE A 277 27.081 26.101 29.565 1.00 27.16 C -ATOM 2152 CB ILE A 277 26.677 26.674 30.937 1.00 29.53 C -ATOM 2153 CG1 ILE A 277 26.432 28.182 30.835 1.00 31.35 C -ATOM 2154 CG2 ILE A 277 27.741 26.362 31.982 1.00 37.64 C -ATOM 2155 CD1 ILE A 277 25.791 28.800 32.059 1.00 31.48 C -ATOM 2156 C ILE A 277 27.449 24.611 29.573 1.00 24.80 C -ATOM 2157 O ILE A 277 28.631 24.297 29.512 1.00 21.56 O -ATOM 2158 N LEU A 278 26.461 23.734 29.400 1.00 26.61 N -ATOM 2159 CA LEU A 278 26.644 22.269 29.498 1.00 28.92 C -ATOM 2160 CB LEU A 278 25.260 21.617 29.470 1.00 33.36 C -ATOM 2161 CG LEU A 278 25.013 20.563 30.543 1.00 43.62 C -ATOM 2162 CD1 LEU A 278 25.844 19.315 30.279 1.00 56.42 C -ATOM 2163 CD2 LEU A 278 25.307 21.105 31.930 1.00 40.02 C -ATOM 2164 C LEU A 278 27.567 21.759 28.378 1.00 27.10 C -ATOM 2165 O LEU A 278 28.194 20.707 28.589 1.00 30.14 O -ATOM 2166 N MET A 279 27.691 22.472 27.248 1.00 22.98 N -ATOM 2167 CA MET A 279 28.608 22.060 26.154 1.00 21.17 C -ATOM 2168 CB MET A 279 28.581 23.064 24.996 1.00 23.55 C -ATOM 2169 CG MET A 279 27.218 23.217 24.307 1.00 25.94 C -ATOM 2170 SD MET A 279 26.747 21.741 23.365 1.00 29.38 S -ATOM 2171 CE MET A 279 25.425 21.125 24.400 1.00 31.92 C -ATOM 2172 C MET A 279 30.045 21.924 26.702 1.00 23.90 C -ATOM 2173 O MET A 279 30.749 20.954 26.280 1.00 21.02 O -ATOM 2174 N ALA A 280 30.478 22.824 27.618 1.00 20.47 N -ATOM 2175 CA ALA A 280 31.845 22.850 28.175 1.00 20.17 C -ATOM 2176 CB ALA A 280 32.021 24.046 29.080 1.00 18.73 C -ATOM 2177 C ALA A 280 32.102 21.522 28.900 1.00 22.59 C -ATOM 2178 O ALA A 280 33.289 21.152 29.066 1.00 26.03 O -ATOM 2179 N SER A 281 31.033 20.824 29.288 1.00 22.44 N -ATOM 2180 CA SER A 281 31.055 19.590 30.109 1.00 28.25 C -ATOM 2181 CB SER A 281 29.936 19.637 31.127 1.00 32.31 C -ATOM 2182 OG SER A 281 30.017 20.856 31.875 1.00 37.91 O -ATOM 2183 C SER A 281 30.962 18.348 29.219 1.00 30.99 C -ATOM 2184 O SER A 281 31.031 17.239 29.774 1.00 32.36 O -ATOM 2185 N ILE A 282 30.823 18.511 27.892 1.00 28.61 N -ATOM 2186 CA ILE A 282 30.777 17.360 26.952 1.00 28.84 C -ATOM 2187 CB ILE A 282 29.824 17.606 25.766 1.00 27.71 C -ATOM 2188 CG1 ILE A 282 28.372 17.771 26.219 1.00 27.96 C -ATOM 2189 CG2 ILE A 282 29.979 16.492 24.748 1.00 28.78 C -ATOM 2190 CD1 ILE A 282 27.458 18.373 25.157 1.00 26.58 C -ATOM 2191 C ILE A 282 32.206 17.110 26.502 1.00 24.75 C -ATOM 2192 O ILE A 282 32.809 17.985 25.911 1.00 30.59 O -ATOM 2193 N PRO A 283 32.768 15.906 26.738 1.00 29.84 N -ATOM 2194 CA PRO A 283 34.144 15.591 26.338 1.00 29.72 C -ATOM 2195 CB PRO A 283 34.430 14.234 27.012 1.00 28.71 C -ATOM 2196 CG PRO A 283 33.124 13.710 27.573 1.00 31.02 C -ATOM 2197 CD PRO A 283 32.070 14.778 27.371 1.00 32.25 C -ATOM 2198 C PRO A 283 34.300 15.476 24.809 1.00 37.13 C -ATOM 2199 O PRO A 283 33.251 15.485 24.140 1.00 30.94 O -ATOM 2200 N LEU A 284 35.534 15.325 24.284 1.00 37.08 N -ATOM 2201 CA LEU A 284 35.823 15.432 22.824 1.00 43.03 C -ATOM 2202 CB LEU A 284 36.994 16.391 22.598 1.00 42.10 C -ATOM 2203 CG LEU A 284 37.193 17.470 23.656 1.00 38.10 C -ATOM 2204 CD1 LEU A 284 38.639 17.459 24.134 1.00 51.34 C -ATOM 2205 CD2 LEU A 284 36.832 18.853 23.133 1.00 40.46 C -ATOM 2206 C LEU A 284 36.119 14.062 22.195 1.00 48.55 C -ATOM 2207 O LEU A 284 35.935 13.937 20.957 1.00 47.06 O -TER 2208 LEU A 284 -HETATM 2209 S SO4 A 401 7.896 18.546 22.475 1.00 57.26 S -HETATM 2210 O1 SO4 A 401 8.723 19.428 23.255 1.00 59.68 O -HETATM 2211 O2 SO4 A 401 8.284 18.665 21.102 1.00 55.01 O -HETATM 2212 O3 SO4 A 401 8.051 17.182 22.917 1.00 45.32 O -HETATM 2213 O4 SO4 A 401 6.524 18.927 22.641 1.00 56.35 O -HETATM 2214 S SO4 A 402 1.952 -4.288 11.386 1.00 42.77 S -HETATM 2215 O1 SO4 A 402 1.652 -3.658 12.633 1.00 56.42 O -HETATM 2216 O2 SO4 A 402 2.504 -3.341 10.476 1.00 63.21 O -HETATM 2217 O3 SO4 A 402 2.901 -5.342 11.564 1.00 53.60 O -HETATM 2218 O4 SO4 A 402 0.734 -4.817 10.847 1.00 52.29 O -HETATM 2219 O5' DIH A 300 1.745 21.981 23.508 1.00 72.85 O -HETATM 2220 C5' DIH A 300 1.550 20.648 23.061 1.00 70.12 C -HETATM 2221 C4' DIH A 300 2.866 19.949 22.768 1.00 60.77 C -HETATM 2222 C6' DIH A 300 3.852 19.995 23.964 1.00 56.90 C -HETATM 2223 C3' DIH A 300 2.689 18.456 22.465 1.00 46.05 C -HETATM 2224 O3' DIH A 300 3.662 17.964 21.553 1.00 50.20 O -HETATM 2225 C2' DIH A 300 2.893 17.825 23.824 1.00 53.33 C -HETATM 2226 N1' DIH A 300 4.128 18.552 24.288 1.00 51.14 N -HETATM 2227 C10 DIH A 300 4.557 18.267 25.699 1.00 50.32 C -HETATM 2228 C9 DIH A 300 3.520 18.492 26.755 1.00 41.18 C -HETATM 2229 C8 DIH A 300 3.401 19.500 27.652 1.00 43.38 C -HETATM 2230 N7 DIH A 300 2.327 19.249 28.428 1.00 43.68 N -HETATM 2231 C5 DIH A 300 2.178 17.838 28.446 1.00 37.65 C -HETATM 2232 C6 DIH A 300 0.870 17.309 28.903 1.00 39.99 C -HETATM 2233 O6 DIH A 300 0.180 17.826 29.774 1.00 45.19 O -HETATM 2234 N1 DIH A 300 0.564 16.131 28.282 1.00 44.28 N -HETATM 2235 C2 DIH A 300 1.380 15.540 27.373 1.00 37.99 C -HETATM 2236 N3 DIH A 300 2.377 16.154 26.779 1.00 43.46 N -HETATM 2237 C4 DIH A 300 2.333 17.597 26.946 1.00 49.06 C -HETATM 2238 O HOH A 501 5.782 16.318 22.733 1.00 42.21 O -HETATM 2239 O HOH A 502 17.072 2.550 33.348 1.00 41.28 O -HETATM 2240 O HOH A 503 7.629 16.046 25.429 1.00 38.89 O -HETATM 2241 O HOH A 504 -6.959 16.733 29.188 1.00 38.95 O -HETATM 2242 O HOH A 505 5.821 3.863 13.501 1.00 35.14 O -HETATM 2243 O HOH A 506 -7.883 9.734 26.173 1.00 35.66 O -HETATM 2244 O HOH A 507 24.015 7.905 27.080 1.00 42.12 O -HETATM 2245 O HOH A 508 15.300 5.963 10.359 1.00 34.46 O -HETATM 2246 O HOH A 509 9.218 4.074 20.879 1.00 36.58 O -HETATM 2247 O HOH A 510 17.517 -3.353 16.569 1.00 33.22 O -HETATM 2248 O HOH A 511 12.375 14.129 15.201 1.00 39.76 O -HETATM 2249 O HOH A 512 11.162 0.905 12.447 1.00 36.59 O -HETATM 2250 O HOH A 513 -1.272 -5.688 9.371 1.00 50.13 O -HETATM 2251 O HOH A 514 33.193 20.161 19.034 1.00 57.16 O -HETATM 2252 O HOH A 515 -4.454 10.384 26.537 1.00 42.96 O -HETATM 2253 O HOH A 516 8.467 3.028 36.851 1.00 39.60 O -HETATM 2254 O HOH A 517 23.530 -1.121 19.520 1.00 39.12 O -HETATM 2255 O HOH A 518 6.871 11.225 18.811 1.00 33.76 O -HETATM 2256 O HOH A 519 3.589 11.639 19.279 1.00 37.56 O -HETATM 2257 O HOH A 520 17.148 4.552 30.811 1.00 38.42 O -HETATM 2258 O HOH A 521 -6.354 11.920 25.373 1.00 39.63 O -HETATM 2259 O HOH A 522 23.052 -7.928 16.799 1.00 55.62 O -HETATM 2260 O HOH A 523 9.612 12.151 18.993 1.00 38.93 O -HETATM 2261 O HOH A 524 23.253 -6.140 9.349 1.00 56.28 O -HETATM 2262 O HOH A 525 15.530 5.128 12.783 1.00 41.94 O -HETATM 2263 O HOH A 526 13.242 16.424 2.054 1.00 52.41 O -HETATM 2264 O HOH A 527 21.859 -7.790 20.279 1.00 48.07 O -HETATM 2265 O HOH A 528 -1.715 9.822 24.465 1.00 44.38 O -HETATM 2266 O HOH A 529 31.211 15.802 12.416 1.00 54.41 O -HETATM 2267 O HOH A 530 21.484 2.477 26.603 1.00 37.22 O -HETATM 2268 O HOH A 531 18.793 8.098 -1.002 1.00 49.19 O -HETATM 2269 O HOH A 532 13.916 7.895 37.156 1.00 54.94 O -HETATM 2270 O HOH A 533 21.793 25.318 1.055 1.00 71.24 O -HETATM 2271 O HOH A 534 19.422 -3.877 31.199 1.00 53.50 O -HETATM 2272 O HOH A 535 15.339 0.631 11.910 1.00 47.79 O -HETATM 2273 O HOH A 536 -11.205 18.342 36.203 1.00 58.94 O -HETATM 2274 O HOH A 537 -2.379 16.854 30.451 1.00 47.44 O -HETATM 2275 O HOH A 538 19.275 5.755 32.040 1.00 47.58 O -HETATM 2276 O HOH A 539 19.610 12.928 30.918 1.00 36.58 O -HETATM 2277 O HOH A 540 9.852 -1.553 22.735 1.00 53.72 O -HETATM 2278 O HOH A 541 -5.645 15.659 33.249 1.00 48.75 O -HETATM 2279 O HOH A 542 -1.417 9.379 17.966 1.00 40.23 O -HETATM 2280 O HOH A 543 23.314 -3.032 24.374 1.00 54.61 O -HETATM 2281 O HOH A 544 4.637 10.299 6.762 1.00 63.73 O -HETATM 2282 O HOH A 545 21.784 -8.040 13.574 1.00 57.83 O -HETATM 2283 O HOH A 546 -0.372 24.060 35.228 1.00 62.64 O -HETATM 2284 O HOH A 547 14.287 3.979 0.066 1.00 55.72 O -HETATM 2285 O HOH A 549 -2.311 20.766 32.782 1.00 54.26 O -HETATM 2286 O HOH A 550 3.389 25.786 39.244 1.00 63.65 O -HETATM 2287 O HOH A 551 -1.413 -3.271 12.208 1.00 52.83 O -HETATM 2288 O HOH A 552 26.471 6.752 27.829 1.00 58.24 O -HETATM 2289 O HOH A 553 28.611 21.616 13.239 1.00 47.53 O -HETATM 2290 O HOH A 554 26.982 2.766 14.896 1.00 61.96 O -HETATM 2291 O HOH A 555 22.550 29.802 6.682 1.00 51.07 O -HETATM 2292 O HOH A 556 -4.904 18.623 39.456 1.00 63.16 O -HETATM 2293 O HOH A 557 -4.219 17.557 32.214 1.00 46.36 O -HETATM 2294 O HOH A 558 13.450 15.911 41.191 1.00 59.37 O -HETATM 2295 O HOH A 559 17.544 -8.464 11.909 1.00 44.32 O -HETATM 2296 O HOH A 560 15.508 -1.880 12.512 1.00 37.16 O -END diff --git a/tests/test_data/3atp.fasta b/tests/test_data/3atp.fasta new file mode 100644 index 0000000..889e52b --- /dev/null +++ b/tests/test_data/3atp.fasta @@ -0,0 +1,2 @@ +>pdb|3atp|A B +GPLGSGGLFFNALKNDKENFTVLQTIRQQQSTLNGSWVALLQTRNTLNRAGIRYMMDQNNIGSGSTVAELMESASISLKQAEKNWADYEALPRDPRQSTAAAAEIKRNYDIYHNALAELIQLLGAGKINEFFDQPTQGYQDGFEKQYVAYMEQNDRLHDIAVSDNNASYS diff --git a/tests/test_data/5fyp_final.mtz b/tests/test_data/3atp.npz similarity index 69% rename from tests/test_data/5fyp_final.mtz rename to tests/test_data/3atp.npz index 6cf1077..c5bd331 100644 Binary files a/tests/test_data/5fyp_final.mtz and b/tests/test_data/3atp.npz differ diff --git a/tests/test_data/3atp_0cyc.mtz b/tests/test_data/3atp_0cyc.mtz new file mode 100644 index 0000000..65f404a Binary files /dev/null and b/tests/test_data/3atp_0cyc.mtz differ diff --git a/tests/test_data/3atp_0cyc.pdb b/tests/test_data/3atp_0cyc.pdb new file mode 100644 index 0000000..cad27ee --- /dev/null +++ b/tests/test_data/3atp_0cyc.pdb @@ -0,0 +1,2598 @@ +HEADER SIGNALING PROTEIN 07-JAN-11 XXXX +COMPND CHEMORECEPTOR TSR WITH LIGAND +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0158 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, +REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 66.87 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE +REMARK 3 COMPLETENESS FOR RANGE (%) : 97.15 +REMARK 3 NUMBER OF REFLECTIONS : 8824 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.25805 +REMARK 3 R VALUE (WORKING SET) : 0.25591 +REMARK 3 FREE R VALUE : 0.27657 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.0 +REMARK 3 FREE R VALUE TEST SET COUNT : 981 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH : 2.500 +REMARK 3 BIN RESOLUTION RANGE LOW : 2.565 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 644 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.86 +REMARK 3 BIN R VALUE (WORKING SET) : 0.376 +REMARK 3 BIN FREE R VALUE SET COUNT : 70 +REMARK 3 BIN FREE R VALUE : 0.369 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 ALL ATOMS : 2472 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 59.981 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -4.58 +REMARK 3 B22 (A**2) : 8.90 +REMARK 3 B33 (A**2) : -4.32 +REMARK 3 B12 (A**2) : -0.00 +REMARK 3 B13 (A**2) : 0.00 +REMARK 3 B23 (A**2) : -0.00 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.383 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.946 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.922 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2450 ; 0.010 ; 0.019 +REMARK 3 BOND LENGTHS OTHERS (A): 2150 ; 0.000 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3314 ; 1.742 ; 1.933 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 4999 ; 3.673 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 300 ; 1.346 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 138 ;43.599 ;25.435 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 417 ;25.873 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;24.081 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 358 ; 0.119 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2798 ; 0.007 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 490 ; 0.007 ; 0.020 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1212 ; 1.326 ; 6.186 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1211 ; 1.327 ; 6.185 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1508 ; 2.304 ; 9.259 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 1509 ; 2.303 ; 9.260 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1238 ; 1.791 ; 6.238 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 1237 ; 1.790 ; 6.237 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 1807 ; 2.790 ; 9.293 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 3397 ; 6.239 ;77.257 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 3395 ; 6.216 ;77.247 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NCS TYPE: LOCAL +REMARK 3 NUMBER OF DIFFERENT NCS PAIRS : 1 +REMARK 3 GROUP CHAIN1 RANGE CHAIN2 RANGE COUNT RMS WEIGHT +REMARK 3 1 A 39 187 B 39 187 8882 0.29 0.05 +REMARK 3 +REMARK 3 TWIN DETAILS +REMARK 3 NUMBER OF TWIN DOMAINS : NULL +REMARK 3 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS +REMARK 3 U VALUES : REFINED INDIVIDUALLY +REMARK 3 +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 31.95 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.81 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 12-14% PEG 1000, 0.1M ACETATE BUFFER, +REMARK 280 80-100MM AMMONIUM ACETATE , PH 5.0, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 293K +CRYST1 51.972 133.737 39.571 90.00 90.00 90.00 P 21 21 2 +SCALE1 0.019241 0.000000 0.000000 0.00000 +SCALE2 -0.000000 0.007477 0.000000 0.00000 +SCALE3 0.000000 -0.000000 0.025271 0.00000 +ATOM 1 N ASN A 39 42.261 55.476 -0.659 1.00101.22 N +ATOM 2 CA ASN A 39 42.275 55.314 0.825 1.00100.92 C +ATOM 3 CB ASN A 39 42.293 56.700 1.498 1.00102.06 C +ATOM 4 CG ASN A 39 42.374 56.627 3.021 1.00102.53 C +ATOM 5 OD1 ASN A 39 43.281 56.012 3.586 1.00103.31 O +ATOM 6 ND2 ASN A 39 41.425 57.274 3.689 1.00102.78 N +ATOM 7 C ASN A 39 41.035 54.528 1.232 1.00100.27 C +ATOM 8 O ASN A 39 41.063 53.299 1.299 1.00100.33 O +ATOM 9 N PHE A 40 39.945 55.244 1.484 1.00 99.27 N +ATOM 10 CA PHE A 40 38.692 54.624 1.889 1.00 97.86 C +ATOM 11 CB PHE A 40 37.522 55.581 1.657 1.00 99.98 C +ATOM 12 CG PHE A 40 36.189 54.886 1.544 1.00101.68 C +ATOM 13 CD1 PHE A 40 35.607 54.275 2.656 1.00102.61 C +ATOM 14 CE1 PHE A 40 34.385 53.594 2.549 1.00103.17 C +ATOM 15 CZ PHE A 40 33.735 53.524 1.312 1.00103.24 C +ATOM 16 CE2 PHE A 40 34.311 54.134 0.193 1.00102.96 C +ATOM 17 CD2 PHE A 40 35.532 54.811 0.315 1.00102.23 C +ATOM 18 C PHE A 40 38.412 53.349 1.123 1.00 95.72 C +ATOM 19 O PHE A 40 37.788 52.430 1.648 1.00 96.03 O +ATOM 20 N THR A 41 38.883 53.302 -0.115 1.00 92.87 N +ATOM 21 CA THR A 41 38.635 52.164 -0.984 1.00 91.10 C +ATOM 22 CB THR A 41 38.527 52.646 -2.435 1.00 92.74 C +ATOM 23 OG1 THR A 41 37.718 53.832 -2.477 1.00 93.35 O +ATOM 24 CG2 THR A 41 37.877 51.573 -3.302 1.00 93.27 C +ATOM 25 C THR A 41 39.600 50.974 -0.913 1.00 88.25 C +ATOM 26 O THR A 41 39.190 49.831 -1.107 1.00 87.66 O +ATOM 27 N VAL A 42 40.872 51.229 -0.636 1.00 85.36 N +ATOM 28 CA VAL A 42 41.853 50.146 -0.547 1.00 82.30 C +ATOM 29 CB VAL A 42 43.293 50.690 -0.410 1.00 81.99 C +ATOM 30 CG1 VAL A 42 43.429 51.477 0.888 1.00 81.35 C +ATOM 31 CG2 VAL A 42 44.287 49.541 -0.430 1.00 80.58 C +ATOM 32 C VAL A 42 41.553 49.323 0.697 1.00 80.45 C +ATOM 33 O VAL A 42 42.146 48.264 0.927 1.00 80.16 O +ATOM 34 N LEU A 43 40.615 49.831 1.489 1.00 77.84 N +ATOM 35 CA LEU A 43 40.216 49.208 2.740 1.00 74.99 C +ATOM 36 CB LEU A 43 39.830 50.314 3.719 1.00 74.05 C +ATOM 37 CG LEU A 43 41.052 51.184 4.032 1.00 74.05 C +ATOM 38 CD1 LEU A 43 40.642 52.595 4.370 1.00 73.39 C +ATOM 39 CD2 LEU A 43 41.829 50.550 5.164 1.00 74.21 C +ATOM 40 C LEU A 43 39.124 48.132 2.688 1.00 73.98 C +ATOM 41 O LEU A 43 39.027 47.320 3.608 1.00 74.10 O +ATOM 42 N GLN A 44 38.297 48.113 1.645 1.00 72.40 N +ATOM 43 CA GLN A 44 37.260 47.085 1.569 1.00 71.33 C +ATOM 44 CB GLN A 44 36.014 47.557 0.814 1.00 73.13 C +ATOM 45 CG GLN A 44 35.557 48.967 1.127 1.00 76.43 C +ATOM 46 CD GLN A 44 36.268 49.993 0.273 1.00 78.08 C +ATOM 47 OE1 GLN A 44 35.777 50.404 -0.784 1.00 78.94 O +ATOM 48 NE2 GLN A 44 37.445 50.395 0.715 1.00 78.45 N +ATOM 49 C GLN A 44 37.872 45.950 0.797 1.00 69.30 C +ATOM 50 O GLN A 44 37.600 44.774 1.056 1.00 69.09 O +ATOM 51 N THR A 45 38.705 46.328 -0.164 1.00 67.43 N +ATOM 52 CA THR A 45 39.389 45.369 -1.015 1.00 65.93 C +ATOM 53 CB THR A 45 40.344 46.084 -2.006 1.00 67.48 C +ATOM 54 OG1 THR A 45 39.913 47.437 -2.195 1.00 69.66 O +ATOM 55 CG2 THR A 45 40.339 45.383 -3.359 1.00 66.99 C +ATOM 56 C THR A 45 40.211 44.447 -0.123 1.00 63.79 C +ATOM 57 O THR A 45 39.976 43.242 -0.054 1.00 62.47 O +ATOM 58 N ILE A 46 41.179 45.028 0.567 1.00 62.24 N +ATOM 59 CA ILE A 46 42.036 44.252 1.439 1.00 62.64 C +ATOM 60 CB ILE A 46 43.029 45.167 2.194 1.00 63.67 C +ATOM 61 CG1 ILE A 46 44.342 45.240 1.414 1.00 63.76 C +ATOM 62 CD1 ILE A 46 45.494 45.732 2.234 1.00 64.51 C +ATOM 63 CG2 ILE A 46 43.241 44.673 3.630 1.00 62.37 C +ATOM 64 C ILE A 46 41.226 43.460 2.447 1.00 62.38 C +ATOM 65 O ILE A 46 41.613 42.376 2.857 1.00 63.50 O +ATOM 66 N ARG A 47 40.084 44.004 2.836 1.00 62.03 N +ATOM 67 CA ARG A 47 39.239 43.356 3.819 1.00 59.69 C +ATOM 68 CB ARG A 47 38.530 44.439 4.626 1.00 62.07 C +ATOM 69 CG ARG A 47 37.387 43.957 5.437 1.00 65.82 C +ATOM 70 CD ARG A 47 36.135 44.524 4.840 1.00 69.68 C +ATOM 71 NE ARG A 47 35.013 43.618 5.016 1.00 75.05 N +ATOM 72 CZ ARG A 47 33.862 43.965 5.578 1.00 77.63 C +ATOM 73 NH1 ARG A 47 33.683 45.210 6.019 1.00 77.99 N +ATOM 74 NH2 ARG A 47 32.898 43.062 5.705 1.00 77.44 N +ATOM 75 C ARG A 47 38.258 42.335 3.249 1.00 56.57 C +ATOM 76 O ARG A 47 37.742 41.484 3.973 1.00 54.57 O +ATOM 77 N GLN A 48 37.991 42.412 1.955 1.00 54.74 N +ATOM 78 CA GLN A 48 37.102 41.439 1.347 1.00 55.04 C +ATOM 79 CB GLN A 48 36.448 42.051 0.112 1.00 57.93 C +ATOM 80 CG GLN A 48 35.203 41.320 -0.391 1.00 63.47 C +ATOM 81 CD GLN A 48 34.127 41.128 0.685 1.00 66.16 C +ATOM 82 OE1 GLN A 48 33.903 42.003 1.531 1.00 67.26 O +ATOM 83 NE2 GLN A 48 33.445 39.985 0.640 1.00 67.67 N +ATOM 84 C GLN A 48 38.009 40.247 0.995 1.00 53.70 C +ATOM 85 O GLN A 48 37.565 39.100 0.852 1.00 50.20 O +ATOM 86 N GLN A 49 39.303 40.547 0.898 1.00 53.38 N +ATOM 87 CA GLN A 49 40.312 39.546 0.598 1.00 53.09 C +ATOM 88 CB GLN A 49 41.652 40.211 0.232 1.00 52.50 C +ATOM 89 CG GLN A 49 41.792 40.649 -1.242 1.00 49.67 C +ATOM 90 CD GLN A 49 43.008 41.552 -1.489 1.00 48.15 C +ATOM 91 OE1 GLN A 49 43.476 42.257 -0.585 1.00 47.66 O +ATOM 92 NE2 GLN A 49 43.511 41.540 -2.715 1.00 44.19 N +ATOM 93 C GLN A 49 40.484 38.668 1.833 1.00 53.05 C +ATOM 94 O GLN A 49 40.569 37.440 1.727 1.00 51.14 O +ATOM 95 N GLN A 50 40.533 39.293 3.007 1.00 53.53 N +ATOM 96 CA GLN A 50 40.682 38.519 4.241 1.00 55.82 C +ATOM 97 CB GLN A 50 40.718 39.444 5.456 1.00 58.23 C +ATOM 98 CG GLN A 50 41.752 40.546 5.350 1.00 63.17 C +ATOM 99 CD GLN A 50 42.171 41.122 6.699 1.00 65.87 C +ATOM 100 OE1 GLN A 50 42.953 40.515 7.437 1.00 68.10 O +ATOM 101 NE2 GLN A 50 41.656 42.304 7.021 1.00 66.50 N +ATOM 102 C GLN A 50 39.448 37.637 4.305 1.00 55.10 C +ATOM 103 O GLN A 50 39.522 36.403 4.250 1.00 55.07 O +ATOM 104 N SER A 51 38.318 38.330 4.386 1.00 53.52 N +ATOM 105 CA SER A 51 36.971 37.785 4.421 1.00 51.00 C +ATOM 106 CB SER A 51 36.055 38.825 3.785 1.00 53.30 C +ATOM 107 OG SER A 51 34.760 38.809 4.344 1.00 59.52 O +ATOM 108 C SER A 51 36.899 36.495 3.618 1.00 48.23 C +ATOM 109 O SER A 51 36.599 35.410 4.112 1.00 46.72 O +ATOM 110 N THR A 52 37.194 36.662 2.349 1.00 45.62 N +ATOM 111 CA THR A 52 37.200 35.597 1.383 1.00 44.75 C +ATOM 112 CB THR A 52 37.435 36.205 0.003 1.00 45.45 C +ATOM 113 OG1 THR A 52 36.183 36.601 -0.580 1.00 45.22 O +ATOM 114 CG2 THR A 52 38.094 35.219 -0.867 1.00 45.20 C +ATOM 115 C THR A 52 38.241 34.488 1.626 1.00 43.64 C +ATOM 116 O THR A 52 37.959 33.295 1.465 1.00 43.02 O +ATOM 117 N LEU A 53 39.454 34.877 1.992 1.00 41.14 N +ATOM 118 CA LEU A 53 40.489 33.892 2.217 1.00 39.76 C +ATOM 119 CB LEU A 53 41.833 34.599 2.284 1.00 42.31 C +ATOM 120 CG LEU A 53 43.056 33.825 1.818 1.00 43.20 C +ATOM 121 CD1 LEU A 53 42.791 33.136 0.484 1.00 44.11 C +ATOM 122 CD2 LEU A 53 44.201 34.810 1.711 1.00 44.69 C +ATOM 123 C LEU A 53 40.235 33.063 3.489 1.00 39.75 C +ATOM 124 O LEU A 53 40.604 31.874 3.552 1.00 37.82 O +ATOM 125 N ASN A 54 39.604 33.681 4.491 1.00 36.42 N +ATOM 126 CA ASN A 54 39.292 32.978 5.723 1.00 35.40 C +ATOM 127 CB ASN A 54 38.661 33.904 6.739 1.00 38.46 C +ATOM 128 CG ASN A 54 38.212 33.168 7.992 1.00 40.49 C +ATOM 129 OD1 ASN A 54 39.031 32.787 8.837 1.00 39.84 O +ATOM 130 ND2 ASN A 54 36.905 32.949 8.107 1.00 40.57 N +ATOM 131 C ASN A 54 38.303 31.868 5.442 1.00 35.05 C +ATOM 132 O ASN A 54 38.474 30.729 5.894 1.00 33.76 O +ATOM 133 N GLY A 55 37.262 32.224 4.693 1.00 34.77 N +ATOM 134 CA GLY A 55 36.235 31.268 4.345 1.00 31.46 C +ATOM 135 C GLY A 55 36.807 30.065 3.637 1.00 31.29 C +ATOM 136 O GLY A 55 36.431 28.931 3.907 1.00 29.89 O +ATOM 137 N SER A 56 37.738 30.313 2.729 1.00 32.36 N +ATOM 138 CA SER A 56 38.342 29.233 1.979 1.00 33.73 C +ATOM 139 CB SER A 56 39.317 29.812 0.961 1.00 33.03 C +ATOM 140 OG SER A 56 39.715 28.839 0.023 1.00 30.68 O +ATOM 141 C SER A 56 39.070 28.368 2.989 1.00 35.05 C +ATOM 142 O SER A 56 38.874 27.142 3.048 1.00 33.97 O +ATOM 143 N TRP A 57 39.869 29.046 3.816 1.00 36.35 N +ATOM 144 CA TRP A 57 40.683 28.413 4.859 1.00 37.41 C +ATOM 145 CB TRP A 57 41.265 29.490 5.779 1.00 38.26 C +ATOM 146 CG TRP A 57 42.191 29.027 6.894 1.00 37.69 C +ATOM 147 CD1 TRP A 57 42.448 29.697 8.060 1.00 36.95 C +ATOM 148 NE1 TRP A 57 43.400 29.022 8.799 1.00 37.91 N +ATOM 149 CE2 TRP A 57 43.771 27.892 8.124 1.00 36.78 C +ATOM 150 CD2 TRP A 57 43.036 27.856 6.913 1.00 37.13 C +ATOM 151 CE3 TRP A 57 43.240 26.788 6.033 1.00 37.47 C +ATOM 152 CZ3 TRP A 57 44.161 25.810 6.375 1.00 34.48 C +ATOM 153 CH2 TRP A 57 44.870 25.874 7.582 1.00 35.30 C +ATOM 154 CZ2 TRP A 57 44.691 26.903 8.466 1.00 34.44 C +ATOM 155 C TRP A 57 39.802 27.488 5.673 1.00 36.80 C +ATOM 156 O TRP A 57 40.057 26.289 5.770 1.00 37.67 O +ATOM 157 N VAL A 58 38.753 28.058 6.253 1.00 37.46 N +ATOM 158 CA VAL A 58 37.835 27.291 7.081 1.00 40.38 C +ATOM 159 CB VAL A 58 36.675 28.169 7.594 1.00 39.61 C +ATOM 160 CG1 VAL A 58 35.495 27.302 7.922 1.00 39.68 C +ATOM 161 CG2 VAL A 58 37.140 28.945 8.827 1.00 43.70 C +ATOM 162 C VAL A 58 37.265 26.118 6.258 1.00 40.59 C +ATOM 163 O VAL A 58 37.211 24.977 6.747 1.00 42.14 O +ATOM 164 N ALA A 59 36.813 26.377 5.030 1.00 39.17 N +ATOM 165 CA ALA A 59 36.236 25.295 4.235 1.00 40.65 C +ATOM 166 CB ALA A 59 35.638 25.848 2.952 1.00 38.55 C +ATOM 167 C ALA A 59 37.167 24.122 3.925 1.00 40.99 C +ATOM 168 O ALA A 59 36.707 22.967 3.836 1.00 41.75 O +ATOM 169 N LEU A 60 38.455 24.408 3.764 1.00 41.92 N +ATOM 170 CA LEU A 60 39.384 23.332 3.500 1.00 42.36 C +ATOM 171 CB LEU A 60 40.743 23.902 3.170 1.00 44.81 C +ATOM 172 CG LEU A 60 40.926 24.828 1.977 1.00 45.23 C +ATOM 173 CD1 LEU A 60 41.907 25.898 2.371 1.00 46.45 C +ATOM 174 CD2 LEU A 60 41.403 24.066 0.771 1.00 44.91 C +ATOM 175 C LEU A 60 39.496 22.500 4.768 1.00 40.91 C +ATOM 176 O LEU A 60 39.582 21.267 4.735 1.00 39.55 O +ATOM 177 N LEU A 61 39.520 23.216 5.884 1.00 40.16 N +ATOM 178 CA LEU A 61 39.625 22.605 7.199 1.00 39.59 C +ATOM 179 CB LEU A 61 39.788 23.685 8.261 1.00 38.02 C +ATOM 180 CG LEU A 61 41.181 24.249 8.480 1.00 37.32 C +ATOM 181 CD1 LEU A 61 41.063 25.502 9.313 1.00 36.26 C +ATOM 182 CD2 LEU A 61 42.060 23.224 9.162 1.00 37.77 C +ATOM 183 C LEU A 61 38.397 21.771 7.531 1.00 39.63 C +ATOM 184 O LEU A 61 38.497 20.718 8.159 1.00 41.43 O +ATOM 185 N GLN A 62 37.223 22.245 7.145 1.00 39.02 N +ATOM 186 CA GLN A 62 36.036 21.461 7.437 1.00 40.47 C +ATOM 187 CB GLN A 62 34.771 22.282 7.221 1.00 39.94 C +ATOM 188 CG GLN A 62 34.235 22.855 8.519 1.00 43.96 C +ATOM 189 CD GLN A 62 33.439 24.110 8.289 1.00 44.77 C +ATOM 190 OE1 GLN A 62 33.265 24.528 7.140 1.00 48.45 O +ATOM 191 NE2 GLN A 62 32.952 24.729 9.370 1.00 43.26 N +ATOM 192 C GLN A 62 36.047 20.249 6.530 1.00 39.82 C +ATOM 193 O GLN A 62 35.595 19.169 6.911 1.00 39.04 O +ATOM 194 N THR A 63 36.595 20.432 5.336 1.00 38.45 N +ATOM 195 CA THR A 63 36.668 19.347 4.387 1.00 40.50 C +ATOM 196 CB THR A 63 37.243 19.803 3.047 1.00 41.43 C +ATOM 197 OG1 THR A 63 36.409 20.814 2.478 1.00 41.59 O +ATOM 198 CG2 THR A 63 37.308 18.626 2.088 1.00 39.98 C +ATOM 199 C THR A 63 37.566 18.236 4.908 1.00 41.22 C +ATOM 200 O THR A 63 37.209 17.061 4.878 1.00 41.50 O +ATOM 201 N ARG A 64 38.738 18.623 5.384 1.00 42.30 N +ATOM 202 CA ARG A 64 39.697 17.666 5.892 1.00 43.10 C +ATOM 203 CB ARG A 64 40.924 18.382 6.440 1.00 42.42 C +ATOM 204 CG ARG A 64 42.150 17.506 6.413 1.00 41.68 C +ATOM 205 CD ARG A 64 43.220 18.035 7.293 1.00 40.60 C +ATOM 206 NE ARG A 64 44.226 17.016 7.541 1.00 42.40 N +ATOM 207 CZ ARG A 64 45.328 17.229 8.251 1.00 43.65 C +ATOM 208 NH1 ARG A 64 45.549 18.426 8.776 1.00 45.21 N +ATOM 209 NH2 ARG A 64 46.218 16.264 8.426 1.00 41.08 N +ATOM 210 C ARG A 64 39.090 16.811 6.993 1.00 44.51 C +ATOM 211 O ARG A 64 39.216 15.585 6.980 1.00 43.65 O +ATOM 212 N ASN A 65 38.446 17.468 7.950 1.00 46.74 N +ATOM 213 CA ASN A 65 37.822 16.770 9.068 1.00 50.02 C +ATOM 214 CB ASN A 65 37.287 17.760 10.097 1.00 52.03 C +ATOM 215 CG ASN A 65 36.583 17.061 11.242 1.00 54.62 C +ATOM 216 OD1 ASN A 65 35.371 17.195 11.422 1.00 58.52 O +ATOM 217 ND2 ASN A 65 37.336 16.272 12.001 1.00 54.64 N +ATOM 218 C ASN A 65 36.688 15.858 8.646 1.00 51.45 C +ATOM 219 O ASN A 65 36.495 14.788 9.239 1.00 52.76 O +ATOM 220 N THR A 66 35.921 16.285 7.651 1.00 51.72 N +ATOM 221 CA THR A 66 34.828 15.464 7.173 1.00 52.01 C +ATOM 222 CB THR A 66 34.031 16.183 6.109 1.00 52.51 C +ATOM 223 OG1 THR A 66 33.125 17.096 6.739 1.00 53.61 O +ATOM 224 CG2 THR A 66 33.269 15.185 5.252 1.00 53.79 C +ATOM 225 C THR A 66 35.445 14.219 6.567 1.00 53.01 C +ATOM 226 O THR A 66 35.158 13.095 6.991 1.00 54.08 O +ATOM 227 N LEU A 67 36.302 14.439 5.572 1.00 53.05 N +ATOM 228 CA LEU A 67 36.988 13.360 4.892 1.00 51.90 C +ATOM 229 CB LEU A 67 38.171 13.901 4.092 1.00 52.40 C +ATOM 230 CG LEU A 67 37.897 14.765 2.865 1.00 51.84 C +ATOM 231 CD1 LEU A 67 39.191 15.095 2.169 1.00 52.12 C +ATOM 232 CD2 LEU A 67 37.001 14.008 1.919 1.00 53.42 C +ATOM 233 C LEU A 67 37.499 12.386 5.940 1.00 52.11 C +ATOM 234 O LEU A 67 37.581 11.184 5.691 1.00 51.01 O +ATOM 235 N ASN A 68 37.828 12.909 7.119 1.00 52.20 N +ATOM 236 CA ASN A 68 38.357 12.072 8.189 1.00 53.35 C +ATOM 237 CB ASN A 68 39.191 12.909 9.169 1.00 52.96 C +ATOM 238 CG ASN A 68 40.663 13.027 8.755 1.00 51.83 C +ATOM 239 OD1 ASN A 68 41.283 14.082 8.907 1.00 51.06 O +ATOM 240 ND2 ASN A 68 41.231 11.934 8.265 1.00 49.27 N +ATOM 241 C ASN A 68 37.299 11.298 8.950 1.00 54.68 C +ATOM 242 O ASN A 68 37.628 10.380 9.687 1.00 53.87 O +ATOM 243 N ARG A 69 36.036 11.672 8.787 1.00 56.91 N +ATOM 244 CA ARG A 69 34.963 10.955 9.454 1.00 58.85 C +ATOM 245 CB ARG A 69 33.817 11.893 9.787 1.00 61.69 C +ATOM 246 CG ARG A 69 34.192 13.039 10.694 1.00 64.73 C +ATOM 247 CD ARG A 69 32.946 13.820 11.028 1.00 67.12 C +ATOM 248 NE ARG A 69 31.956 12.962 11.673 1.00 70.26 N +ATOM 249 CZ ARG A 69 30.646 13.189 11.660 1.00 71.24 C +ATOM 250 NH1 ARG A 69 30.148 14.252 11.027 1.00 69.91 N +ATOM 251 NH2 ARG A 69 29.831 12.354 12.291 1.00 71.21 N +ATOM 252 C ARG A 69 34.489 9.893 8.479 1.00 59.30 C +ATOM 253 O ARG A 69 33.682 9.027 8.811 1.00 59.21 O +ATOM 254 N ALA A 70 34.979 9.988 7.253 1.00 59.71 N +ATOM 255 CA ALA A 70 34.634 9.014 6.241 1.00 61.37 C +ATOM 256 CB ALA A 70 34.751 9.629 4.864 1.00 61.39 C +ATOM 257 C ALA A 70 35.638 7.881 6.414 1.00 62.57 C +ATOM 258 O ALA A 70 35.285 6.699 6.396 1.00 62.77 O +ATOM 259 N GLY A 71 36.900 8.251 6.593 1.00 63.43 N +ATOM 260 CA GLY A 71 37.916 7.238 6.783 1.00 65.50 C +ATOM 261 C GLY A 71 37.576 6.466 8.035 1.00 65.89 C +ATOM 262 O GLY A 71 37.892 5.284 8.162 1.00 64.91 O +ATOM 263 N ILE A 72 36.895 7.148 8.948 1.00 67.09 N +ATOM 264 CA ILE A 72 36.504 6.561 10.214 1.00 68.98 C +ATOM 265 CB ILE A 72 36.022 7.644 11.203 1.00 70.82 C +ATOM 266 CG1 ILE A 72 35.996 7.085 12.621 1.00 71.68 C +ATOM 267 CD1 ILE A 72 37.327 6.651 13.107 1.00 71.81 C +ATOM 268 CG2 ILE A 72 34.580 8.006 10.924 1.00 72.49 C +ATOM 269 C ILE A 72 35.374 5.550 10.077 1.00 68.97 C +ATOM 270 O ILE A 72 35.439 4.439 10.583 1.00 68.60 O +ATOM 271 N ARG A 73 34.331 5.970 9.387 1.00 70.09 N +ATOM 272 CA ARG A 73 33.140 5.182 9.201 1.00 71.82 C +ATOM 273 CB ARG A 73 31.984 6.164 9.014 1.00 73.54 C +ATOM 274 CG ARG A 73 30.838 5.701 8.168 1.00 76.32 C +ATOM 275 CD ARG A 73 29.613 5.518 9.017 1.00 76.07 C +ATOM 276 NE ARG A 73 29.227 4.121 9.032 1.00 78.19 N +ATOM 277 CZ ARG A 73 27.971 3.703 9.067 1.00 79.44 C +ATOM 278 NH1 ARG A 73 26.981 4.584 9.097 1.00 78.75 N +ATOM 279 NH2 ARG A 73 27.706 2.405 9.039 1.00 80.00 N +ATOM 280 C ARG A 73 33.232 4.163 8.072 1.00 72.24 C +ATOM 281 O ARG A 73 32.395 3.276 7.965 1.00 73.14 O +ATOM 282 N TYR A 74 34.242 4.290 7.224 1.00 72.69 N +ATOM 283 CA TYR A 74 34.427 3.325 6.148 1.00 73.57 C +ATOM 284 CB TYR A 74 35.387 3.871 5.092 1.00 73.22 C +ATOM 285 CG TYR A 74 36.073 2.795 4.280 1.00 73.89 C +ATOM 286 CD1 TYR A 74 37.269 2.220 4.709 1.00 73.86 C +ATOM 287 CE1 TYR A 74 37.882 1.203 3.973 1.00 75.12 C +ATOM 288 CZ TYR A 74 37.291 0.759 2.794 1.00 75.63 C +ATOM 289 OH TYR A 74 37.880 -0.229 2.033 1.00 77.33 O +ATOM 290 CE2 TYR A 74 36.107 1.318 2.357 1.00 75.14 C +ATOM 291 CD2 TYR A 74 35.507 2.329 3.099 1.00 74.60 C +ATOM 292 C TYR A 74 35.083 2.172 6.872 1.00 74.14 C +ATOM 293 O TYR A 74 34.944 0.999 6.515 1.00 74.02 O +ATOM 294 N MET A 75 35.777 2.567 7.929 1.00 75.22 N +ATOM 295 CA MET A 75 36.534 1.698 8.799 1.00 77.18 C +ATOM 296 CB MET A 75 37.409 2.566 9.692 1.00 75.97 C +ATOM 297 CG MET A 75 38.601 1.840 10.226 1.00 75.58 C +ATOM 298 SD MET A 75 39.813 1.558 8.944 1.00 75.18 S +ATOM 299 CE MET A 75 41.066 0.796 9.932 1.00 75.20 C +ATOM 300 C MET A 75 35.704 0.743 9.664 1.00 78.73 C +ATOM 301 O MET A 75 36.016 -0.442 9.748 1.00 79.63 O +ATOM 302 N MET A 76 34.680 1.246 10.343 1.00 79.49 N +ATOM 303 CA MET A 76 33.861 0.364 11.173 1.00 80.70 C +ATOM 304 CB MET A 76 33.006 1.174 12.142 1.00 81.77 C +ATOM 305 CG MET A 76 33.686 2.413 12.716 1.00 82.49 C +ATOM 306 SD MET A 76 32.419 3.544 13.327 1.00 82.66 S +ATOM 307 CE MET A 76 32.415 3.161 15.069 1.00 82.45 C +ATOM 308 C MET A 76 32.963 -0.392 10.196 1.00 81.22 C +ATOM 309 O MET A 76 32.385 -1.436 10.515 1.00 80.95 O +ATOM 310 N ASP A 77 32.876 0.175 8.995 1.00 81.75 N +ATOM 311 CA ASP A 77 32.113 -0.358 7.872 1.00 83.04 C +ATOM 312 CB ASP A 77 32.039 0.686 6.738 1.00 81.42 C +ATOM 313 CG ASP A 77 30.766 1.530 6.752 1.00 80.52 C +ATOM 314 OD1 ASP A 77 30.120 1.681 7.812 1.00 80.38 O +ATOM 315 OD2 ASP A 77 30.418 2.060 5.672 1.00 79.92 O +ATOM 316 C ASP A 77 32.835 -1.592 7.296 1.00 84.44 C +ATOM 317 O ASP A 77 32.355 -2.176 6.326 1.00 84.84 O +ATOM 318 N GLN A 78 33.989 -1.964 7.866 1.00 86.34 N +ATOM 319 CA GLN A 78 34.830 -3.102 7.391 1.00 88.25 C +ATOM 320 CB GLN A 78 36.266 -2.668 7.127 1.00 88.40 C +ATOM 321 CG GLN A 78 36.556 -1.852 5.918 1.00 89.48 C +ATOM 322 CD GLN A 78 35.508 -1.974 4.852 1.00 90.05 C +ATOM 323 OE1 GLN A 78 34.368 -1.566 5.047 1.00 90.51 O +ATOM 324 NE2 GLN A 78 35.888 -2.522 3.704 1.00 89.16 N +ATOM 325 C GLN A 78 34.994 -4.113 8.490 1.00 89.32 C +ATOM 326 O GLN A 78 35.868 -4.985 8.474 1.00 89.54 O +ATOM 327 N ASN A 79 34.168 -3.948 9.477 1.00 90.83 N +ATOM 328 CA ASN A 79 34.250 -4.743 10.658 1.00 92.60 C +ATOM 329 CB ASN A 79 34.896 -3.808 11.700 1.00 93.65 C +ATOM 330 CG ASN A 79 36.326 -4.204 12.112 1.00 94.47 C +ATOM 331 OD1 ASN A 79 37.219 -4.519 11.297 1.00 93.41 O +ATOM 332 ND2 ASN A 79 36.543 -4.159 13.416 1.00 94.38 N +ATOM 333 C ASN A 79 32.728 -4.816 10.804 1.00 92.99 C +ATOM 334 O ASN A 79 32.178 -4.837 11.897 1.00 92.09 O +ATOM 335 N ASN A 80 32.078 -4.730 9.645 1.00 93.67 N +ATOM 336 CA ASN A 80 30.629 -4.727 9.485 1.00 94.27 C +ATOM 337 CB ASN A 80 30.086 -6.141 9.309 1.00 94.63 C +ATOM 338 CG ASN A 80 31.000 -7.012 8.496 1.00 95.34 C +ATOM 339 OD1 ASN A 80 31.212 -6.792 7.304 1.00 95.92 O +ATOM 340 ND2 ASN A 80 31.562 -8.015 9.148 1.00 95.68 N +ATOM 341 C ASN A 80 29.807 -4.009 10.548 1.00 94.45 C +ATOM 342 O ASN A 80 28.839 -4.558 11.075 1.00 93.78 O +ATOM 343 N ILE A 81 30.189 -2.769 10.841 1.00 94.79 N +ATOM 344 CA ILE A 81 29.460 -1.909 11.778 1.00 94.57 C +ATOM 345 CB ILE A 81 30.093 -1.827 13.234 1.00 93.71 C +ATOM 346 CG1 ILE A 81 30.576 -0.402 13.537 1.00 92.62 C +ATOM 347 CD1 ILE A 81 30.911 -0.150 14.972 1.00 92.28 C +ATOM 348 CG2 ILE A 81 31.249 -2.791 13.390 1.00 93.34 C +ATOM 349 C ILE A 81 29.503 -0.515 11.158 1.00 94.74 C +ATOM 350 O ILE A 81 30.090 -0.319 10.086 1.00 94.74 O +ATOM 351 N GLY A 82 28.877 0.444 11.835 1.00 94.47 N +ATOM 352 CA GLY A 82 28.878 1.813 11.362 1.00 93.93 C +ATOM 353 C GLY A 82 27.936 2.691 12.150 1.00 93.11 C +ATOM 354 O GLY A 82 26.766 2.352 12.328 1.00 93.86 O +ATOM 355 N SER A 83 28.442 3.825 12.618 1.00 92.66 N +ATOM 356 CA SER A 83 27.630 4.744 13.403 1.00 92.67 C +ATOM 357 CB SER A 83 28.429 5.240 14.616 1.00 93.38 C +ATOM 358 OG SER A 83 29.208 4.199 15.184 1.00 93.34 O +ATOM 359 C SER A 83 27.190 5.949 12.571 1.00 92.01 C +ATOM 360 O SER A 83 27.488 6.040 11.375 1.00 92.10 O +ATOM 361 N GLY A 84 26.487 6.863 13.239 1.00 91.16 N +ATOM 362 CA GLY A 84 25.996 8.098 12.641 1.00 90.56 C +ATOM 363 C GLY A 84 25.582 8.130 11.181 1.00 89.71 C +ATOM 364 O GLY A 84 24.439 7.834 10.821 1.00 89.97 O +ATOM 365 N SER A 85 26.509 8.514 10.319 1.00 88.57 N +ATOM 366 CA SER A 85 26.166 8.578 8.922 1.00 87.19 C +ATOM 367 CB SER A 85 26.199 10.022 8.430 1.00 88.20 C +ATOM 368 OG SER A 85 27.130 10.784 9.173 1.00 87.85 O +ATOM 369 C SER A 85 27.024 7.723 8.034 1.00 85.93 C +ATOM 370 O SER A 85 28.211 7.502 8.282 1.00 84.85 O +ATOM 371 N THR A 86 26.359 7.231 7.002 1.00 84.51 N +ATOM 372 CA THR A 86 26.939 6.415 5.967 1.00 82.95 C +ATOM 373 CB THR A 86 26.084 6.480 4.721 1.00 82.95 C +ATOM 374 OG1 THR A 86 26.933 6.709 3.594 1.00 82.04 O +ATOM 375 CG2 THR A 86 25.100 7.639 4.816 1.00 83.26 C +ATOM 376 C THR A 86 28.257 7.031 5.587 1.00 81.82 C +ATOM 377 O THR A 86 28.495 8.211 5.847 1.00 82.14 O +ATOM 378 N VAL A 87 29.118 6.243 4.965 1.00 80.17 N +ATOM 379 CA VAL A 87 30.381 6.797 4.520 1.00 78.31 C +ATOM 380 CB VAL A 87 31.215 5.762 3.761 1.00 77.61 C +ATOM 381 CG1 VAL A 87 31.999 6.437 2.643 1.00 75.78 C +ATOM 382 CG2 VAL A 87 32.151 5.065 4.709 1.00 77.07 C +ATOM 383 C VAL A 87 29.999 7.882 3.528 1.00 78.08 C +ATOM 384 O VAL A 87 30.243 9.067 3.741 1.00 78.55 O +ATOM 385 N ALA A 88 29.361 7.410 2.461 1.00 77.02 N +ATOM 386 CA ALA A 88 28.882 8.169 1.319 1.00 75.28 C +ATOM 387 CB ALA A 88 27.830 7.345 0.608 1.00 73.61 C +ATOM 388 C ALA A 88 28.368 9.596 1.501 1.00 75.25 C +ATOM 389 O ALA A 88 28.603 10.436 0.639 1.00 75.20 O +ATOM 390 N GLU A 89 27.632 9.881 2.571 1.00 75.11 N +ATOM 391 CA GLU A 89 27.127 11.246 2.750 1.00 74.60 C +ATOM 392 CB GLU A 89 26.018 11.306 3.799 1.00 76.48 C +ATOM 393 CG GLU A 89 25.704 12.724 4.270 1.00 79.28 C +ATOM 394 CD GLU A 89 25.554 12.805 5.785 1.00 81.51 C +ATOM 395 OE1 GLU A 89 26.424 12.258 6.497 1.00 81.61 O +ATOM 396 OE2 GLU A 89 24.579 13.418 6.272 1.00 83.32 O +ATOM 397 C GLU A 89 28.259 12.160 3.165 1.00 72.75 C +ATOM 398 O GLU A 89 28.255 13.355 2.872 1.00 73.10 O +ATOM 399 N LEU A 90 29.230 11.591 3.863 1.00 70.89 N +ATOM 400 CA LEU A 90 30.380 12.364 4.272 1.00 68.79 C +ATOM 401 CB LEU A 90 31.262 11.541 5.213 1.00 67.13 C +ATOM 402 CG LEU A 90 30.534 11.135 6.502 1.00 65.29 C +ATOM 403 CD1 LEU A 90 31.505 10.554 7.504 1.00 64.11 C +ATOM 404 CD2 LEU A 90 29.865 12.353 7.099 1.00 65.58 C +ATOM 405 C LEU A 90 31.116 12.751 2.989 1.00 68.23 C +ATOM 406 O LEU A 90 31.619 13.869 2.884 1.00 68.20 O +ATOM 407 N MET A 91 31.150 11.847 2.005 1.00 66.78 N +ATOM 408 CA MET A 91 31.813 12.154 0.735 1.00 66.82 C +ATOM 409 CB MET A 91 31.687 11.012 -0.273 1.00 68.92 C +ATOM 410 CG MET A 91 32.430 9.749 0.089 1.00 71.80 C +ATOM 411 SD MET A 91 33.820 10.038 1.194 1.00 75.15 S +ATOM 412 CE MET A 91 35.140 9.483 0.201 1.00 72.70 C +ATOM 413 C MET A 91 31.191 13.385 0.099 1.00 65.52 C +ATOM 414 O MET A 91 31.850 14.405 -0.099 1.00 64.77 O +ATOM 415 N GLU A 92 29.913 13.274 -0.239 1.00 63.71 N +ATOM 416 CA GLU A 92 29.214 14.384 -0.857 1.00 63.17 C +ATOM 417 CB GLU A 92 27.760 13.991 -1.158 1.00 63.24 C +ATOM 418 CG GLU A 92 27.185 12.915 -0.250 1.00 63.60 C +ATOM 419 CD GLU A 92 25.996 12.215 -0.879 1.00 64.94 C +ATOM 420 OE1 GLU A 92 26.018 11.984 -2.110 1.00 66.50 O +ATOM 421 OE2 GLU A 92 25.042 11.884 -0.147 1.00 65.67 O +ATOM 422 C GLU A 92 29.296 15.632 0.018 1.00 61.35 C +ATOM 423 O GLU A 92 29.437 16.743 -0.495 1.00 60.58 O +ATOM 424 N SER A 93 29.209 15.457 1.335 1.00 59.58 N +ATOM 425 CA SER A 93 29.317 16.604 2.231 1.00 57.89 C +ATOM 426 CB SER A 93 29.016 16.222 3.674 1.00 57.34 C +ATOM 427 OG SER A 93 29.312 17.315 4.529 1.00 53.24 O +ATOM 428 C SER A 93 30.748 17.090 2.134 1.00 57.32 C +ATOM 429 O SER A 93 31.037 18.269 2.333 1.00 56.13 O +ATOM 430 N ALA A 94 31.640 16.161 1.807 1.00 56.99 N +ATOM 431 CA ALA A 94 33.046 16.481 1.649 1.00 57.24 C +ATOM 432 CB ALA A 94 33.881 15.209 1.591 1.00 55.43 C +ATOM 433 C ALA A 94 33.198 17.273 0.360 1.00 57.64 C +ATOM 434 O ALA A 94 34.053 18.148 0.265 1.00 58.22 O +ATOM 435 N SER A 95 32.364 16.975 -0.633 1.00 57.96 N +ATOM 436 CA SER A 95 32.435 17.690 -1.902 1.00 58.38 C +ATOM 437 CB SER A 95 31.650 16.937 -2.983 1.00 59.77 C +ATOM 438 OG SER A 95 32.228 15.663 -3.240 1.00 64.36 O +ATOM 439 C SER A 95 31.875 19.100 -1.743 1.00 57.76 C +ATOM 440 O SER A 95 32.568 20.091 -1.976 1.00 57.32 O +ATOM 441 N ILE A 96 30.617 19.182 -1.334 1.00 56.72 N +ATOM 442 CA ILE A 96 29.977 20.466 -1.156 1.00 55.17 C +ATOM 443 CB ILE A 96 28.676 20.328 -0.348 1.00 54.02 C +ATOM 444 CG1 ILE A 96 27.535 19.819 -1.238 1.00 54.39 C +ATOM 445 CD1 ILE A 96 27.353 18.329 -1.235 1.00 54.32 C +ATOM 446 CG2 ILE A 96 28.296 21.671 0.231 1.00 52.74 C +ATOM 447 C ILE A 96 30.876 21.493 -0.453 1.00 55.88 C +ATOM 448 O ILE A 96 30.866 22.680 -0.786 1.00 56.81 O +ATOM 449 N SER A 97 31.664 21.047 0.515 1.00 54.82 N +ATOM 450 CA SER A 97 32.513 21.986 1.247 1.00 54.71 C +ATOM 451 CB SER A 97 32.803 21.438 2.643 1.00 54.49 C +ATOM 452 OG SER A 97 33.311 20.122 2.555 1.00 56.97 O +ATOM 453 C SER A 97 33.823 22.354 0.548 1.00 53.70 C +ATOM 454 O SER A 97 34.295 23.492 0.661 1.00 51.99 O +ATOM 455 N LEU A 98 34.418 21.389 -0.154 1.00 52.82 N +ATOM 456 CA LEU A 98 35.657 21.634 -0.891 1.00 51.11 C +ATOM 457 CB LEU A 98 36.201 20.341 -1.473 1.00 49.10 C +ATOM 458 CG LEU A 98 37.421 20.510 -2.390 1.00 48.13 C +ATOM 459 CD1 LEU A 98 38.655 20.878 -1.586 1.00 45.77 C +ATOM 460 CD2 LEU A 98 37.658 19.213 -3.143 1.00 47.28 C +ATOM 461 C LEU A 98 35.393 22.606 -2.036 1.00 51.39 C +ATOM 462 O LEU A 98 36.251 23.399 -2.408 1.00 52.05 O +ATOM 463 N LYS A 99 34.199 22.523 -2.603 1.00 51.62 N +ATOM 464 CA LYS A 99 33.818 23.410 -3.679 1.00 51.68 C +ATOM 465 CB LYS A 99 32.614 22.845 -4.416 1.00 54.28 C +ATOM 466 CG LYS A 99 32.896 21.584 -5.201 1.00 56.64 C +ATOM 467 CD LYS A 99 32.850 21.852 -6.698 1.00 57.76 C +ATOM 468 CE LYS A 99 32.643 20.554 -7.445 1.00 59.42 C +ATOM 469 NZ LYS A 99 31.476 19.814 -6.863 1.00 61.58 N +ATOM 470 C LYS A 99 33.461 24.758 -3.082 1.00 51.19 C +ATOM 471 O LYS A 99 33.624 25.786 -3.737 1.00 50.26 O +ATOM 472 N GLN A 100 32.945 24.754 -1.850 1.00 51.41 N +ATOM 473 CA GLN A 100 32.597 26.015 -1.179 1.00 50.77 C +ATOM 474 CB GLN A 100 31.869 25.755 0.157 1.00 49.08 C +ATOM 475 CG GLN A 100 31.791 26.961 1.136 1.00 46.56 C +ATOM 476 CD GLN A 100 30.991 28.169 0.618 1.00 47.01 C +ATOM 477 OE1 GLN A 100 30.799 29.144 1.341 1.00 47.29 O +ATOM 478 NE2 GLN A 100 30.539 28.110 -0.625 1.00 45.56 N +ATOM 479 C GLN A 100 33.939 26.675 -0.936 1.00 50.33 C +ATOM 480 O GLN A 100 34.076 27.908 -0.957 1.00 48.60 O +ATOM 481 N ALA A 101 34.927 25.810 -0.727 1.00 49.63 N +ATOM 482 CA ALA A 101 36.296 26.220 -0.497 1.00 50.71 C +ATOM 483 CB ALA A 101 37.112 25.024 -0.002 1.00 49.55 C +ATOM 484 C ALA A 101 36.851 26.738 -1.827 1.00 50.74 C +ATOM 485 O ALA A 101 37.296 27.882 -1.927 1.00 52.10 O +ATOM 486 N GLU A 102 36.813 25.892 -2.849 1.00 50.25 N +ATOM 487 CA GLU A 102 37.299 26.261 -4.177 1.00 49.22 C +ATOM 488 CB GLU A 102 36.909 25.208 -5.211 1.00 49.68 C +ATOM 489 CG GLU A 102 37.622 23.893 -5.111 1.00 54.42 C +ATOM 490 CD GLU A 102 36.960 22.819 -5.953 1.00 57.45 C +ATOM 491 OE1 GLU A 102 35.898 23.106 -6.554 1.00 61.06 O +ATOM 492 OE2 GLU A 102 37.494 21.690 -6.013 1.00 58.14 O +ATOM 493 C GLU A 102 36.700 27.575 -4.639 1.00 46.57 C +ATOM 494 O GLU A 102 37.319 28.343 -5.357 1.00 49.25 O +ATOM 495 N LYS A 103 35.480 27.832 -4.238 1.00 44.34 N +ATOM 496 CA LYS A 103 34.832 29.032 -4.684 1.00 45.42 C +ATOM 497 CB LYS A 103 33.335 28.802 -4.640 1.00 45.04 C +ATOM 498 CG LYS A 103 32.548 29.932 -4.094 1.00 44.17 C +ATOM 499 CD LYS A 103 31.109 29.661 -4.380 1.00 44.66 C +ATOM 500 CE LYS A 103 30.280 30.916 -4.250 1.00 46.44 C +ATOM 501 NZ LYS A 103 29.977 31.252 -2.835 1.00 47.40 N +ATOM 502 C LYS A 103 35.214 30.287 -3.930 1.00 46.90 C +ATOM 503 O LYS A 103 35.432 31.339 -4.534 1.00 48.92 O +ATOM 504 N ASN A 104 35.265 30.191 -2.607 1.00 47.72 N +ATOM 505 CA ASN A 104 35.653 31.325 -1.776 1.00 44.87 C +ATOM 506 CB ASN A 104 35.715 30.904 -0.312 1.00 45.39 C +ATOM 507 CG ASN A 104 34.500 31.333 0.461 1.00 44.59 C +ATOM 508 OD1 ASN A 104 33.879 30.531 1.129 1.00 45.72 O +ATOM 509 ND2 ASN A 104 34.163 32.617 0.385 1.00 46.62 N +ATOM 510 C ASN A 104 37.029 31.761 -2.246 1.00 43.16 C +ATOM 511 O ASN A 104 37.338 32.951 -2.308 1.00 41.70 O +ATOM 512 N TRP A 105 37.851 30.782 -2.588 1.00 40.14 N +ATOM 513 CA TRP A 105 39.183 31.065 -3.080 1.00 42.01 C +ATOM 514 CB TRP A 105 39.933 29.761 -3.298 1.00 40.63 C +ATOM 515 CG TRP A 105 41.168 29.939 -4.108 1.00 40.67 C +ATOM 516 CD1 TRP A 105 41.322 29.665 -5.422 1.00 41.08 C +ATOM 517 NE1 TRP A 105 42.612 29.946 -5.816 1.00 41.40 N +ATOM 518 CE2 TRP A 105 43.307 30.423 -4.749 1.00 39.95 C +ATOM 519 CD2 TRP A 105 42.437 30.430 -3.642 1.00 40.68 C +ATOM 520 CE3 TRP A 105 42.907 30.883 -2.405 1.00 40.66 C +ATOM 521 CZ3 TRP A 105 44.227 31.293 -2.311 1.00 39.48 C +ATOM 522 CH2 TRP A 105 45.069 31.272 -3.429 1.00 37.93 C +ATOM 523 CZ2 TRP A 105 44.633 30.836 -4.648 1.00 38.52 C +ATOM 524 C TRP A 105 39.140 31.846 -4.404 1.00 43.31 C +ATOM 525 O TRP A 105 40.040 32.636 -4.713 1.00 43.97 O +ATOM 526 N ALA A 106 38.101 31.602 -5.193 1.00 42.81 N +ATOM 527 CA ALA A 106 37.971 32.273 -6.457 1.00 43.08 C +ATOM 528 CB ALA A 106 37.015 31.511 -7.335 1.00 42.19 C +ATOM 529 C ALA A 106 37.508 33.720 -6.283 1.00 45.16 C +ATOM 530 O ALA A 106 37.900 34.585 -7.070 1.00 45.05 O +ATOM 531 N ASP A 107 36.678 33.996 -5.271 1.00 45.68 N +ATOM 532 CA ASP A 107 36.203 35.372 -5.060 1.00 47.35 C +ATOM 533 CB ASP A 107 35.119 35.454 -3.976 1.00 49.83 C +ATOM 534 CG ASP A 107 33.937 34.539 -4.244 1.00 53.25 C +ATOM 535 OD1 ASP A 107 34.142 33.414 -4.772 1.00 55.26 O +ATOM 536 OD2 ASP A 107 32.803 34.954 -3.909 1.00 51.52 O +ATOM 537 C ASP A 107 37.371 36.218 -4.599 1.00 48.88 C +ATOM 538 O ASP A 107 37.395 37.439 -4.778 1.00 49.16 O +ATOM 539 N TYR A 108 38.329 35.540 -3.973 1.00 49.78 N +ATOM 540 CA TYR A 108 39.527 36.159 -3.445 1.00 48.52 C +ATOM 541 CB TYR A 108 40.281 35.148 -2.562 1.00 46.38 C +ATOM 542 CG TYR A 108 41.760 35.389 -2.420 1.00 45.69 C +ATOM 543 CD1 TYR A 108 42.256 36.537 -1.798 1.00 43.32 C +ATOM 544 CE1 TYR A 108 43.633 36.780 -1.747 1.00 44.53 C +ATOM 545 CZ TYR A 108 44.503 35.862 -2.329 1.00 46.46 C +ATOM 546 OH TYR A 108 45.853 36.095 -2.398 1.00 48.91 O +ATOM 547 CE2 TYR A 108 44.025 34.717 -2.932 1.00 46.32 C +ATOM 548 CD2 TYR A 108 42.671 34.485 -2.973 1.00 45.82 C +ATOM 549 C TYR A 108 40.371 36.570 -4.620 1.00 49.26 C +ATOM 550 O TYR A 108 40.583 37.759 -4.866 1.00 49.10 O +ATOM 551 N GLU A 109 40.828 35.569 -5.356 1.00 49.70 N +ATOM 552 CA GLU A 109 41.676 35.798 -6.510 1.00 53.02 C +ATOM 553 CB GLU A 109 41.805 34.503 -7.302 1.00 52.83 C +ATOM 554 CG GLU A 109 43.205 34.212 -7.793 1.00 56.90 C +ATOM 555 CD GLU A 109 43.381 32.743 -8.104 1.00 57.89 C +ATOM 556 OE1 GLU A 109 42.400 31.996 -7.921 1.00 58.61 O +ATOM 557 OE2 GLU A 109 44.482 32.333 -8.523 1.00 58.58 O +ATOM 558 C GLU A 109 41.098 36.913 -7.390 1.00 54.66 C +ATOM 559 O GLU A 109 41.833 37.775 -7.888 1.00 54.89 O +ATOM 560 N ALA A 110 39.779 36.892 -7.563 1.00 54.76 N +ATOM 561 CA ALA A 110 39.092 37.887 -8.363 1.00 56.67 C +ATOM 562 CB ALA A 110 37.673 37.439 -8.630 1.00 53.98 C +ATOM 563 C ALA A 110 39.093 39.262 -7.686 1.00 59.18 C +ATOM 564 O ALA A 110 38.613 40.247 -8.259 1.00 60.38 O +ATOM 565 N LEU A 111 39.589 39.339 -6.455 1.00 60.18 N +ATOM 566 CA LEU A 111 39.654 40.636 -5.802 1.00 61.78 C +ATOM 567 CB LEU A 111 39.783 40.492 -4.293 1.00 61.01 C +ATOM 568 CG LEU A 111 38.453 40.338 -3.555 1.00 61.70 C +ATOM 569 CD1 LEU A 111 38.307 41.493 -2.591 1.00 60.82 C +ATOM 570 CD2 LEU A 111 37.278 40.320 -4.530 1.00 61.07 C +ATOM 571 C LEU A 111 40.897 41.266 -6.399 1.00 63.90 C +ATOM 572 O LEU A 111 41.967 40.662 -6.398 1.00 65.40 O +ATOM 573 N PRO A 112 40.767 42.483 -6.940 1.00 65.32 N +ATOM 574 CA PRO A 112 41.872 43.211 -7.569 1.00 64.65 C +ATOM 575 CB PRO A 112 41.144 44.217 -8.449 1.00 65.54 C +ATOM 576 CG PRO A 112 40.000 44.625 -7.557 1.00 66.13 C +ATOM 577 CD PRO A 112 39.528 43.289 -6.959 1.00 66.92 C +ATOM 578 C PRO A 112 42.864 43.861 -6.620 1.00 63.26 C +ATOM 579 O PRO A 112 42.507 44.709 -5.811 1.00 61.96 O +ATOM 580 N ARG A 113 44.122 43.464 -6.776 1.00 63.43 N +ATOM 581 CA ARG A 113 45.230 43.931 -5.962 1.00 64.71 C +ATOM 582 CB ARG A 113 46.481 43.134 -6.306 1.00 65.98 C +ATOM 583 CG ARG A 113 46.693 41.934 -5.432 1.00 69.57 C +ATOM 584 CD ARG A 113 47.644 40.948 -6.070 1.00 71.71 C +ATOM 585 NE ARG A 113 46.900 39.786 -6.535 1.00 73.13 N +ATOM 586 CZ ARG A 113 47.341 38.916 -7.437 1.00 74.31 C +ATOM 587 NH1 ARG A 113 48.543 39.068 -7.989 1.00 71.60 N +ATOM 588 NH2 ARG A 113 46.565 37.896 -7.794 1.00 74.13 N +ATOM 589 C ARG A 113 45.599 45.398 -5.979 1.00 65.13 C +ATOM 590 O ARG A 113 45.668 46.035 -7.029 1.00 67.17 O +ATOM 591 N ASP A 114 45.857 45.918 -4.788 1.00 64.07 N +ATOM 592 CA ASP A 114 46.290 47.289 -4.629 1.00 64.11 C +ATOM 593 CB ASP A 114 46.318 47.638 -3.141 1.00 64.91 C +ATOM 594 CG ASP A 114 46.886 49.019 -2.872 1.00 66.22 C +ATOM 595 OD1 ASP A 114 48.097 49.234 -3.091 1.00 65.58 O +ATOM 596 OD2 ASP A 114 46.114 49.893 -2.438 1.00 66.34 O +ATOM 597 C ASP A 114 47.717 47.352 -5.221 1.00 63.55 C +ATOM 598 O ASP A 114 48.493 46.396 -5.108 1.00 62.08 O +ATOM 599 N PRO A 115 48.070 48.470 -5.876 1.00 62.85 N +ATOM 600 CA PRO A 115 49.405 48.624 -6.471 1.00 62.09 C +ATOM 601 CB PRO A 115 49.447 50.106 -6.838 1.00 61.14 C +ATOM 602 CG PRO A 115 48.021 50.442 -7.092 1.00 61.94 C +ATOM 603 CD PRO A 115 47.283 49.709 -6.011 1.00 62.50 C +ATOM 604 C PRO A 115 50.500 48.264 -5.453 1.00 61.56 C +ATOM 605 O PRO A 115 51.633 47.941 -5.812 1.00 61.95 O +ATOM 606 N ARG A 116 50.133 48.302 -4.177 1.00 59.81 N +ATOM 607 CA ARG A 116 51.053 48.037 -3.075 1.00 58.20 C +ATOM 608 CB ARG A 116 50.617 48.849 -1.853 1.00 57.10 C +ATOM 609 CG ARG A 116 51.539 49.982 -1.467 1.00 56.03 C +ATOM 610 CD ARG A 116 50.943 51.365 -1.756 1.00 54.41 C +ATOM 611 NE ARG A 116 49.504 51.342 -2.026 1.00 54.14 N +ATOM 612 CZ ARG A 116 48.590 52.013 -1.328 1.00 51.87 C +ATOM 613 NH1 ARG A 116 48.944 52.767 -0.299 1.00 53.85 N +ATOM 614 NH2 ARG A 116 47.317 51.954 -1.671 1.00 51.82 N +ATOM 615 C ARG A 116 51.231 46.587 -2.631 1.00 57.54 C +ATOM 616 O ARG A 116 52.062 46.309 -1.785 1.00 57.91 O +ATOM 617 N GLN A 117 50.458 45.663 -3.172 1.00 57.07 N +ATOM 618 CA GLN A 117 50.573 44.278 -2.739 1.00 56.19 C +ATOM 619 CB GLN A 117 49.182 43.653 -2.746 1.00 56.00 C +ATOM 620 CG GLN A 117 48.144 44.567 -2.130 1.00 55.01 C +ATOM 621 CD GLN A 117 46.731 44.063 -2.303 1.00 55.46 C +ATOM 622 OE1 GLN A 117 46.175 44.094 -3.400 1.00 57.30 O +ATOM 623 NE2 GLN A 117 46.136 43.597 -1.214 1.00 54.51 N +ATOM 624 C GLN A 117 51.530 43.455 -3.597 1.00 55.85 C +ATOM 625 O GLN A 117 51.439 43.456 -4.825 1.00 56.30 O +ATOM 626 N SER A 118 52.441 42.743 -2.943 1.00 54.34 N +ATOM 627 CA SER A 118 53.406 41.914 -3.647 1.00 52.35 C +ATOM 628 CB SER A 118 54.371 41.300 -2.635 1.00 53.55 C +ATOM 629 OG SER A 118 54.751 39.985 -3.016 1.00 57.04 O +ATOM 630 C SER A 118 52.788 40.805 -4.501 1.00 51.02 C +ATOM 631 O SER A 118 52.054 39.957 -4.000 1.00 48.86 O +ATOM 632 N THR A 119 53.101 40.810 -5.793 1.00 50.69 N +ATOM 633 CA THR A 119 52.600 39.787 -6.701 1.00 50.37 C +ATOM 634 CB THR A 119 52.953 40.108 -8.160 1.00 50.80 C +ATOM 635 OG1 THR A 119 52.665 41.485 -8.429 1.00 52.27 O +ATOM 636 CG2 THR A 119 52.135 39.230 -9.107 1.00 50.17 C +ATOM 637 C THR A 119 53.257 38.456 -6.335 1.00 50.27 C +ATOM 638 O THR A 119 52.721 37.380 -6.621 1.00 51.25 O +ATOM 639 N ALA A 120 54.431 38.532 -5.712 1.00 48.88 N +ATOM 640 CA ALA A 120 55.147 37.331 -5.298 1.00 47.52 C +ATOM 641 CB ALA A 120 56.563 37.661 -4.966 1.00 45.81 C +ATOM 642 C ALA A 120 54.462 36.736 -4.084 1.00 46.70 C +ATOM 643 O ALA A 120 54.380 35.512 -3.943 1.00 47.64 O +ATOM 644 N ALA A 121 53.978 37.613 -3.209 1.00 45.26 N +ATOM 645 CA ALA A 121 53.280 37.187 -2.007 1.00 43.99 C +ATOM 646 CB ALA A 121 52.880 38.391 -1.190 1.00 41.63 C +ATOM 647 C ALA A 121 52.046 36.395 -2.433 1.00 45.16 C +ATOM 648 O ALA A 121 51.898 35.227 -2.080 1.00 47.32 O +ATOM 649 N ALA A 122 51.179 37.018 -3.221 1.00 44.97 N +ATOM 650 CA ALA A 122 49.968 36.358 -3.682 1.00 45.48 C +ATOM 651 CB ALA A 122 49.234 37.253 -4.651 1.00 44.72 C +ATOM 652 C ALA A 122 50.233 35.014 -4.335 1.00 46.29 C +ATOM 653 O ALA A 122 49.512 34.054 -4.101 1.00 47.69 O +ATOM 654 N ALA A 123 51.261 34.962 -5.169 1.00 48.63 N +ATOM 655 CA ALA A 123 51.644 33.754 -5.894 1.00 49.09 C +ATOM 656 CB ALA A 123 52.789 34.076 -6.850 1.00 46.33 C +ATOM 657 C ALA A 123 52.074 32.649 -4.939 1.00 50.70 C +ATOM 658 O ALA A 123 51.968 31.456 -5.248 1.00 50.53 O +ATOM 659 N GLU A 124 52.563 33.050 -3.771 1.00 51.47 N +ATOM 660 CA GLU A 124 53.027 32.085 -2.782 1.00 52.91 C +ATOM 661 CB GLU A 124 54.009 32.750 -1.814 1.00 53.73 C +ATOM 662 CG GLU A 124 55.217 31.886 -1.550 1.00 58.49 C +ATOM 663 CD GLU A 124 56.318 32.635 -0.841 1.00 62.44 C +ATOM 664 OE1 GLU A 124 56.324 33.889 -0.915 1.00 63.42 O +ATOM 665 OE2 GLU A 124 57.187 31.974 -0.224 1.00 63.59 O +ATOM 666 C GLU A 124 51.906 31.407 -1.996 1.00 51.18 C +ATOM 667 O GLU A 124 51.963 30.203 -1.751 1.00 49.82 O +ATOM 668 N ILE A 125 50.897 32.172 -1.595 1.00 48.89 N +ATOM 669 CA ILE A 125 49.792 31.594 -0.844 1.00 49.16 C +ATOM 670 CB ILE A 125 48.909 32.686 -0.188 1.00 48.28 C +ATOM 671 CG1 ILE A 125 47.698 32.037 0.494 1.00 46.95 C +ATOM 672 CD1 ILE A 125 47.058 32.907 1.564 1.00 46.24 C +ATOM 673 CG2 ILE A 125 48.458 33.698 -1.238 1.00 48.37 C +ATOM 674 C ILE A 125 48.933 30.749 -1.768 1.00 48.75 C +ATOM 675 O ILE A 125 48.350 29.746 -1.359 1.00 49.59 O +ATOM 676 N LYS A 126 48.869 31.163 -3.024 1.00 48.87 N +ATOM 677 CA LYS A 126 48.080 30.466 -4.024 1.00 48.52 C +ATOM 678 CB LYS A 126 48.000 31.311 -5.294 1.00 47.80 C +ATOM 679 CG LYS A 126 47.831 30.504 -6.560 1.00 49.26 C +ATOM 680 CD LYS A 126 47.096 31.312 -7.596 1.00 51.76 C +ATOM 681 CE LYS A 126 47.085 30.624 -8.962 1.00 54.22 C +ATOM 682 NZ LYS A 126 46.235 29.385 -9.001 1.00 54.21 N +ATOM 683 C LYS A 126 48.614 29.074 -4.355 1.00 48.63 C +ATOM 684 O LYS A 126 47.840 28.155 -4.622 1.00 46.97 O +ATOM 685 N ARG A 127 49.930 28.904 -4.335 1.00 47.64 N +ATOM 686 CA ARG A 127 50.461 27.602 -4.660 1.00 49.01 C +ATOM 687 CB ARG A 127 51.888 27.727 -5.177 1.00 50.52 C +ATOM 688 CG ARG A 127 52.948 27.625 -4.123 1.00 53.25 C +ATOM 689 CD ARG A 127 54.327 27.662 -4.746 1.00 56.80 C +ATOM 690 NE ARG A 127 55.316 26.967 -3.920 1.00 61.92 N +ATOM 691 CZ ARG A 127 55.645 25.680 -4.054 1.00 63.59 C +ATOM 692 NH1 ARG A 127 55.071 24.934 -4.992 1.00 63.78 N +ATOM 693 NH2 ARG A 127 56.538 25.131 -3.235 1.00 63.27 N +ATOM 694 C ARG A 127 50.391 26.687 -3.441 1.00 49.59 C +ATOM 695 O ARG A 127 50.358 25.462 -3.577 1.00 49.21 O +ATOM 696 N ASN A 128 50.368 27.293 -2.255 1.00 49.08 N +ATOM 697 CA ASN A 128 50.255 26.540 -1.016 1.00 48.82 C +ATOM 698 CB ASN A 128 50.699 27.387 0.170 1.00 50.81 C +ATOM 699 CG ASN A 128 52.200 27.385 0.344 1.00 53.74 C +ATOM 700 OD1 ASN A 128 52.795 26.348 0.657 1.00 56.48 O +ATOM 701 ND2 ASN A 128 52.828 28.542 0.133 1.00 53.77 N +ATOM 702 C ASN A 128 48.790 26.175 -0.896 1.00 48.00 C +ATOM 703 O ASN A 128 48.444 25.092 -0.433 1.00 47.27 O +ATOM 704 N TYR A 129 47.931 27.091 -1.323 1.00 47.91 N +ATOM 705 CA TYR A 129 46.502 26.831 -1.315 1.00 49.66 C +ATOM 706 CB TYR A 129 45.723 28.045 -1.798 1.00 49.53 C +ATOM 707 CG TYR A 129 44.365 27.692 -2.367 1.00 50.15 C +ATOM 708 CD1 TYR A 129 43.258 27.524 -1.540 1.00 49.14 C +ATOM 709 CE1 TYR A 129 42.018 27.150 -2.062 1.00 47.17 C +ATOM 710 CZ TYR A 129 41.882 26.943 -3.427 1.00 49.32 C +ATOM 711 OH TYR A 129 40.660 26.571 -3.945 1.00 47.55 O +ATOM 712 CE2 TYR A 129 42.972 27.108 -4.274 1.00 49.22 C +ATOM 713 CD2 TYR A 129 44.201 27.481 -3.741 1.00 50.27 C +ATOM 714 C TYR A 129 46.271 25.705 -2.303 1.00 50.57 C +ATOM 715 O TYR A 129 45.479 24.804 -2.050 1.00 51.11 O +ATOM 716 N ASP A 130 46.971 25.777 -3.435 1.00 51.34 N +ATOM 717 CA ASP A 130 46.842 24.775 -4.476 1.00 51.35 C +ATOM 718 CB ASP A 130 47.568 25.222 -5.738 1.00 51.95 C +ATOM 719 CG ASP A 130 46.632 25.886 -6.727 1.00 53.46 C +ATOM 720 OD1 ASP A 130 45.420 25.593 -6.654 1.00 53.93 O +ATOM 721 OD2 ASP A 130 47.087 26.680 -7.582 1.00 55.97 O +ATOM 722 C ASP A 130 47.307 23.386 -4.071 1.00 51.66 C +ATOM 723 O ASP A 130 46.701 22.379 -4.461 1.00 50.76 O +ATOM 724 N ILE A 131 48.380 23.315 -3.297 1.00 50.84 N +ATOM 725 CA ILE A 131 48.857 22.016 -2.862 1.00 50.60 C +ATOM 726 CB ILE A 131 50.243 22.115 -2.238 1.00 49.87 C +ATOM 727 CG1 ILE A 131 51.257 22.395 -3.338 1.00 48.86 C +ATOM 728 CD1 ILE A 131 52.657 22.548 -2.844 1.00 49.67 C +ATOM 729 CG2 ILE A 131 50.580 20.833 -1.501 1.00 48.94 C +ATOM 730 C ILE A 131 47.893 21.431 -1.844 1.00 51.39 C +ATOM 731 O ILE A 131 47.434 20.304 -1.994 1.00 51.08 O +ATOM 732 N TYR A 132 47.591 22.205 -0.805 1.00 52.77 N +ATOM 733 CA TYR A 132 46.677 21.753 0.239 1.00 52.07 C +ATOM 734 CB TYR A 132 46.365 22.904 1.201 1.00 50.86 C +ATOM 735 CG TYR A 132 45.459 22.546 2.368 1.00 50.00 C +ATOM 736 CD1 TYR A 132 45.448 21.255 2.907 1.00 46.22 C +ATOM 737 CE1 TYR A 132 44.682 20.951 4.030 1.00 47.58 C +ATOM 738 CZ TYR A 132 43.909 21.941 4.635 1.00 48.59 C +ATOM 739 OH TYR A 132 43.162 21.638 5.750 1.00 47.41 O +ATOM 740 CE2 TYR A 132 43.896 23.231 4.123 1.00 49.71 C +ATOM 741 CD2 TYR A 132 44.669 23.527 2.987 1.00 50.39 C +ATOM 742 C TYR A 132 45.410 21.264 -0.434 1.00 52.54 C +ATOM 743 O TYR A 132 45.080 20.070 -0.373 1.00 52.72 O +ATOM 744 N HIS A 133 44.724 22.194 -1.092 1.00 52.12 N +ATOM 745 CA HIS A 133 43.484 21.904 -1.800 1.00 53.43 C +ATOM 746 CB HIS A 133 43.198 22.998 -2.841 1.00 54.51 C +ATOM 747 CG HIS A 133 42.342 22.537 -3.982 1.00 57.24 C +ATOM 748 ND1 HIS A 133 41.260 23.256 -4.437 1.00 58.68 N +ATOM 749 CE1 HIS A 133 40.679 22.592 -5.424 1.00 60.37 C +ATOM 750 NE2 HIS A 133 41.347 21.472 -5.627 1.00 59.85 N +ATOM 751 CD2 HIS A 133 42.395 21.416 -4.741 1.00 58.46 C +ATOM 752 C HIS A 133 43.527 20.573 -2.517 1.00 53.52 C +ATOM 753 O HIS A 133 42.651 19.726 -2.349 1.00 53.31 O +ATOM 754 N ASN A 134 44.545 20.423 -3.354 1.00 53.90 N +ATOM 755 CA ASN A 134 44.717 19.231 -4.162 1.00 54.45 C +ATOM 756 CB ASN A 134 45.883 19.446 -5.099 1.00 56.39 C +ATOM 757 CG ASN A 134 45.507 20.300 -6.265 1.00 58.67 C +ATOM 758 OD1 ASN A 134 44.512 21.019 -6.221 1.00 59.21 O +ATOM 759 ND2 ASN A 134 46.295 20.236 -7.318 1.00 59.21 N +ATOM 760 C ASN A 134 44.841 17.885 -3.483 1.00 53.52 C +ATOM 761 O ASN A 134 44.325 16.900 -4.004 1.00 53.29 O +ATOM 762 N ALA A 135 45.527 17.824 -2.348 1.00 53.07 N +ATOM 763 CA ALA A 135 45.656 16.558 -1.636 1.00 53.49 C +ATOM 764 CB ALA A 135 46.680 16.665 -0.511 1.00 52.84 C +ATOM 765 C ALA A 135 44.278 16.275 -1.076 1.00 52.39 C +ATOM 766 O ALA A 135 43.879 15.123 -0.927 1.00 52.56 O +ATOM 767 N LEU A 136 43.550 17.342 -0.772 1.00 52.43 N +ATOM 768 CA LEU A 136 42.199 17.188 -0.258 1.00 55.33 C +ATOM 769 CB LEU A 136 41.584 18.547 0.060 1.00 55.27 C +ATOM 770 CG LEU A 136 41.688 19.086 1.485 1.00 55.23 C +ATOM 771 CD1 LEU A 136 40.283 19.239 1.978 1.00 54.62 C +ATOM 772 CD2 LEU A 136 42.495 18.179 2.407 1.00 52.59 C +ATOM 773 C LEU A 136 41.369 16.492 -1.327 1.00 55.92 C +ATOM 774 O LEU A 136 40.699 15.496 -1.055 1.00 54.95 O +ATOM 775 N ALA A 137 41.418 17.033 -2.543 1.00 57.14 N +ATOM 776 CA ALA A 137 40.697 16.445 -3.660 1.00 59.10 C +ATOM 777 CB ALA A 137 40.936 17.250 -4.928 1.00 58.04 C +ATOM 778 C ALA A 137 41.222 15.023 -3.836 1.00 59.57 C +ATOM 779 O ALA A 137 40.456 14.069 -3.930 1.00 59.15 O +ATOM 780 N GLU A 138 42.539 14.888 -3.868 1.00 61.21 N +ATOM 781 CA GLU A 138 43.152 13.586 -4.024 1.00 64.03 C +ATOM 782 CB GLU A 138 44.677 13.707 -3.997 1.00 67.07 C +ATOM 783 CG GLU A 138 45.404 12.491 -3.409 1.00 70.65 C +ATOM 784 CD GLU A 138 46.538 11.973 -4.259 1.00 73.40 C +ATOM 785 OE1 GLU A 138 47.594 12.611 -4.282 1.00 75.88 O +ATOM 786 OE2 GLU A 138 46.375 10.927 -4.901 1.00 75.23 O +ATOM 787 C GLU A 138 42.691 12.632 -2.940 1.00 64.53 C +ATOM 788 O GLU A 138 42.517 11.453 -3.218 1.00 65.07 O +ATOM 789 N LEU A 139 42.493 13.136 -1.723 1.00 63.63 N +ATOM 790 CA LEU A 139 42.045 12.296 -0.618 1.00 61.92 C +ATOM 791 CB LEU A 139 41.840 13.129 0.647 1.00 60.27 C +ATOM 792 CG LEU A 139 43.094 13.328 1.494 1.00 59.47 C +ATOM 793 CD1 LEU A 139 42.713 13.921 2.823 1.00 58.48 C +ATOM 794 CD2 LEU A 139 43.752 11.977 1.691 1.00 57.12 C +ATOM 795 C LEU A 139 40.777 11.551 -0.968 1.00 62.40 C +ATOM 796 O LEU A 139 40.789 10.333 -1.065 1.00 63.39 O +ATOM 797 N ILE A 140 39.698 12.303 -1.136 1.00 63.02 N +ATOM 798 CA ILE A 140 38.383 11.775 -1.517 1.00 64.66 C +ATOM 799 CB ILE A 140 37.545 12.850 -2.273 1.00 65.37 C +ATOM 800 CG1 ILE A 140 37.341 14.080 -1.393 1.00 65.37 C +ATOM 801 CD1 ILE A 140 36.623 15.188 -2.115 1.00 65.26 C +ATOM 802 CG2 ILE A 140 36.195 12.281 -2.640 1.00 65.65 C +ATOM 803 C ILE A 140 38.553 10.552 -2.427 1.00 64.89 C +ATOM 804 O ILE A 140 38.124 9.440 -2.099 1.00 64.35 O +ATOM 805 N GLN A 141 39.171 10.790 -3.577 1.00 64.84 N +ATOM 806 CA GLN A 141 39.430 9.746 -4.558 1.00 66.31 C +ATOM 807 CB GLN A 141 40.428 10.246 -5.604 1.00 66.00 C +ATOM 808 CG GLN A 141 39.827 11.289 -6.550 1.00 66.06 C +ATOM 809 CD GLN A 141 38.561 10.803 -7.222 1.00 65.43 C +ATOM 810 OE1 GLN A 141 38.589 10.129 -8.284 1.00 64.63 O +ATOM 811 NE2 GLN A 141 37.422 11.120 -6.605 1.00 64.27 N +ATOM 812 C GLN A 141 39.953 8.495 -3.876 1.00 67.54 C +ATOM 813 O GLN A 141 39.399 7.417 -4.049 1.00 67.59 O +ATOM 814 N LEU A 142 41.021 8.654 -3.112 1.00 68.86 N +ATOM 815 CA LEU A 142 41.617 7.555 -2.376 1.00 70.81 C +ATOM 816 CB LEU A 142 42.617 8.107 -1.358 1.00 70.76 C +ATOM 817 CG LEU A 142 44.017 8.492 -1.803 1.00 71.37 C +ATOM 818 CD1 LEU A 142 44.616 7.318 -2.523 1.00 70.88 C +ATOM 819 CD2 LEU A 142 43.947 9.643 -2.718 1.00 72.55 C +ATOM 820 C LEU A 142 40.564 6.734 -1.653 1.00 72.27 C +ATOM 821 O LEU A 142 40.613 5.506 -1.670 1.00 71.90 O +ATOM 822 N LEU A 143 39.637 7.441 -1.013 1.00 74.11 N +ATOM 823 CA LEU A 143 38.542 6.824 -0.278 1.00 76.39 C +ATOM 824 CB LEU A 143 37.817 7.873 0.586 1.00 75.00 C +ATOM 825 CG LEU A 143 37.769 7.558 2.085 1.00 74.25 C +ATOM 826 CD1 LEU A 143 36.797 8.480 2.776 1.00 73.40 C +ATOM 827 CD2 LEU A 143 37.336 6.118 2.256 1.00 74.52 C +ATOM 828 C LEU A 143 37.540 6.099 -1.162 1.00 78.52 C +ATOM 829 O LEU A 143 37.145 4.975 -0.836 1.00 79.21 O +ATOM 830 N GLY A 144 37.113 6.748 -2.241 1.00 80.46 N +ATOM 831 CA GLY A 144 36.169 6.120 -3.147 1.00 82.62 C +ATOM 832 C GLY A 144 36.867 4.882 -3.702 1.00 83.58 C +ATOM 833 O GLY A 144 36.244 3.853 -3.924 1.00 84.42 O +ATOM 834 N ALA A 145 38.175 5.020 -3.910 1.00 84.83 N +ATOM 835 CA ALA A 145 39.062 3.966 -4.417 1.00 85.33 C +ATOM 836 CB ALA A 145 40.393 4.593 -4.839 1.00 85.63 C +ATOM 837 C ALA A 145 39.290 3.032 -3.227 1.00 86.22 C +ATOM 838 O ALA A 145 39.989 2.026 -3.323 1.00 85.04 O +ATOM 839 N GLY A 146 38.688 3.405 -2.108 1.00 87.67 N +ATOM 840 CA GLY A 146 38.778 2.644 -0.879 1.00 90.10 C +ATOM 841 C GLY A 146 40.085 2.298 -0.260 1.00 91.85 C +ATOM 842 O GLY A 146 40.081 1.858 0.898 1.00 93.05 O +ATOM 843 N LYS A 147 41.182 2.451 -0.982 1.00 92.65 N +ATOM 844 CA LYS A 147 42.386 2.100 -0.306 1.00 93.55 C +ATOM 845 CB LYS A 147 43.483 1.604 -1.225 1.00 95.21 C +ATOM 846 CG LYS A 147 43.627 0.084 -1.006 1.00 97.05 C +ATOM 847 CD LYS A 147 44.891 -0.491 -1.610 1.00 97.63 C +ATOM 848 CE LYS A 147 44.634 -0.941 -3.034 1.00 97.51 C +ATOM 849 NZ LYS A 147 45.936 -1.069 -3.784 1.00 97.40 N +ATOM 850 C LYS A 147 42.820 3.243 0.607 1.00 92.69 C +ATOM 851 O LYS A 147 43.344 4.278 0.220 1.00 93.12 O +ATOM 852 N ILE A 148 42.463 2.964 1.841 1.00 91.50 N +ATOM 853 CA ILE A 148 42.602 3.727 3.057 1.00 90.04 C +ATOM 854 CB ILE A 148 41.522 3.143 4.028 1.00 89.73 C +ATOM 855 CG1 ILE A 148 40.876 4.241 4.876 1.00 89.63 C +ATOM 856 CD1 ILE A 148 41.537 4.405 6.206 1.00 88.97 C +ATOM 857 CG2 ILE A 148 42.154 2.085 4.885 1.00 89.18 C +ATOM 858 C ILE A 148 43.963 3.832 3.762 1.00 89.53 C +ATOM 859 O ILE A 148 44.095 4.600 4.710 1.00 90.00 O +ATOM 860 N ASN A 149 44.958 3.087 3.318 1.00 88.23 N +ATOM 861 CA ASN A 149 46.238 3.171 3.980 1.00 86.52 C +ATOM 862 CB ASN A 149 46.920 1.807 3.983 1.00 88.09 C +ATOM 863 CG ASN A 149 46.162 0.768 4.791 1.00 89.53 C +ATOM 864 OD1 ASN A 149 45.077 0.270 4.379 1.00 90.01 O +ATOM 865 ND2 ASN A 149 46.681 0.471 5.992 1.00 90.55 N +ATOM 866 C ASN A 149 47.077 4.187 3.230 1.00 85.17 C +ATOM 867 O ASN A 149 47.906 4.899 3.786 1.00 84.33 O +ATOM 868 N GLU A 150 46.783 4.305 1.959 1.00 83.20 N +ATOM 869 CA GLU A 150 47.526 5.210 1.060 1.00 81.10 C +ATOM 870 CB GLU A 150 47.067 4.824 -0.346 1.00 81.85 C +ATOM 871 CG GLU A 150 47.213 5.790 -1.494 1.00 84.80 C +ATOM 872 CD GLU A 150 48.304 5.456 -2.481 1.00 86.54 C +ATOM 873 OE1 GLU A 150 49.154 4.608 -2.187 1.00 87.45 O +ATOM 874 OE2 GLU A 150 48.305 6.088 -3.554 1.00 87.80 O +ATOM 875 C GLU A 150 47.179 6.697 1.430 1.00 79.05 C +ATOM 876 O GLU A 150 47.974 7.598 1.306 1.00 79.54 O +ATOM 877 N PHE A 151 46.020 6.853 2.059 1.00 75.88 N +ATOM 878 CA PHE A 151 45.369 8.138 2.394 1.00 72.23 C +ATOM 879 CB PHE A 151 43.854 7.790 2.256 1.00 70.25 C +ATOM 880 CG PHE A 151 42.967 8.626 3.042 1.00 67.76 C +ATOM 881 CD1 PHE A 151 42.882 8.498 4.419 1.00 66.90 C +ATOM 882 CE1 PHE A 151 41.869 9.170 5.110 1.00 64.54 C +ATOM 883 CZ PHE A 151 40.967 9.960 4.416 1.00 64.53 C +ATOM 884 CE2 PHE A 151 41.089 10.090 3.045 1.00 64.79 C +ATOM 885 CD2 PHE A 151 42.091 9.422 2.378 1.00 66.44 C +ATOM 886 C PHE A 151 45.754 8.723 3.804 1.00 71.50 C +ATOM 887 O PHE A 151 46.087 9.925 3.964 1.00 71.82 O +ATOM 888 N PHE A 152 45.751 7.866 4.822 1.00 69.07 N +ATOM 889 CA PHE A 152 46.110 8.262 6.169 1.00 67.22 C +ATOM 890 CB PHE A 152 45.930 7.025 7.042 1.00 67.96 C +ATOM 891 CG PHE A 152 46.156 7.252 8.495 1.00 69.51 C +ATOM 892 CD1 PHE A 152 45.361 8.135 9.224 1.00 69.27 C +ATOM 893 CE1 PHE A 152 45.576 8.320 10.588 1.00 69.49 C +ATOM 894 CZ PHE A 152 46.589 7.618 11.227 1.00 70.49 C +ATOM 895 CE2 PHE A 152 47.373 6.746 10.509 1.00 70.38 C +ATOM 896 CD2 PHE A 152 47.159 6.562 9.148 1.00 70.13 C +ATOM 897 C PHE A 152 47.552 8.727 6.095 1.00 65.35 C +ATOM 898 O PHE A 152 47.960 9.656 6.784 1.00 65.75 O +ATOM 899 N ASP A 153 48.294 8.121 5.179 1.00 63.49 N +ATOM 900 CA ASP A 153 49.709 8.433 5.006 1.00 61.79 C +ATOM 901 CB ASP A 153 50.429 7.230 4.433 1.00 63.31 C +ATOM 902 CG ASP A 153 50.242 6.053 5.289 1.00 65.84 C +ATOM 903 OD1 ASP A 153 49.390 6.203 6.193 1.00 67.78 O +ATOM 904 OD2 ASP A 153 50.904 5.014 5.079 1.00 66.02 O +ATOM 905 C ASP A 153 50.061 9.639 4.194 1.00 59.48 C +ATOM 906 O ASP A 153 51.237 9.998 4.100 1.00 59.59 O +ATOM 907 N GLN A 154 49.074 10.250 3.566 1.00 55.76 N +ATOM 908 CA GLN A 154 49.397 11.438 2.815 1.00 54.75 C +ATOM 909 CB GLN A 154 48.195 11.882 1.994 1.00 53.12 C +ATOM 910 CG GLN A 154 48.377 13.170 1.256 1.00 51.41 C +ATOM 911 CD GLN A 154 47.046 13.745 0.849 1.00 53.13 C +ATOM 912 OE1 GLN A 154 46.303 14.262 1.683 1.00 53.66 O +ATOM 913 NE2 GLN A 154 46.722 13.643 -0.435 1.00 54.33 N +ATOM 914 C GLN A 154 49.745 12.486 3.880 1.00 53.39 C +ATOM 915 O GLN A 154 48.978 12.709 4.816 1.00 52.49 O +ATOM 916 N PRO A 155 50.930 13.103 3.779 1.00 51.87 N +ATOM 917 CA PRO A 155 51.332 14.119 4.752 1.00 50.87 C +ATOM 918 CB PRO A 155 52.807 14.316 4.434 1.00 50.73 C +ATOM 919 CG PRO A 155 52.850 14.113 2.958 1.00 50.01 C +ATOM 920 CD PRO A 155 51.997 12.883 2.787 1.00 51.84 C +ATOM 921 C PRO A 155 50.508 15.394 4.553 1.00 50.14 C +ATOM 922 O PRO A 155 51.037 16.456 4.219 1.00 51.71 O +ATOM 923 N THR A 156 49.203 15.268 4.743 1.00 47.98 N +ATOM 924 CA THR A 156 48.298 16.383 4.582 1.00 45.85 C +ATOM 925 CB THR A 156 46.828 15.944 4.849 1.00 45.84 C +ATOM 926 OG1 THR A 156 46.622 14.624 4.329 1.00 45.69 O +ATOM 927 CG2 THR A 156 45.836 16.899 4.163 1.00 44.80 C +ATOM 928 C THR A 156 48.679 17.481 5.567 1.00 46.43 C +ATOM 929 O THR A 156 48.630 18.661 5.231 1.00 47.23 O +ATOM 930 N GLN A 157 49.057 17.089 6.784 1.00 45.50 N +ATOM 931 CA GLN A 157 49.426 18.046 7.822 1.00 43.88 C +ATOM 932 CB GLN A 157 49.958 17.301 9.056 1.00 43.82 C +ATOM 933 CG GLN A 157 49.857 18.058 10.384 1.00 43.22 C +ATOM 934 CD GLN A 157 48.568 18.843 10.532 1.00 45.00 C +ATOM 935 OE1 GLN A 157 47.585 18.589 9.840 1.00 48.39 O +ATOM 936 NE2 GLN A 157 48.565 19.797 11.447 1.00 45.21 N +ATOM 937 C GLN A 157 50.479 19.001 7.281 1.00 43.22 C +ATOM 938 O GLN A 157 50.447 20.198 7.557 1.00 43.03 O +ATOM 939 N GLY A 158 51.388 18.460 6.479 1.00 42.10 N +ATOM 940 CA GLY A 158 52.445 19.256 5.892 1.00 41.02 C +ATOM 941 C GLY A 158 51.931 20.305 4.929 1.00 42.68 C +ATOM 942 O GLY A 158 52.424 21.433 4.913 1.00 41.54 O +ATOM 943 N TYR A 159 50.937 19.949 4.121 1.00 43.39 N +ATOM 944 CA TYR A 159 50.386 20.890 3.152 1.00 43.72 C +ATOM 945 CB TYR A 159 49.519 20.166 2.147 1.00 46.47 C +ATOM 946 CG TYR A 159 50.184 18.965 1.526 1.00 48.88 C +ATOM 947 CD1 TYR A 159 51.513 19.015 1.095 1.00 48.31 C +ATOM 948 CE1 TYR A 159 52.108 17.910 0.512 1.00 50.42 C +ATOM 949 CZ TYR A 159 51.377 16.739 0.358 1.00 50.86 C +ATOM 950 OH TYR A 159 51.962 15.632 -0.212 1.00 52.34 O +ATOM 951 CE2 TYR A 159 50.062 16.670 0.779 1.00 49.62 C +ATOM 952 CD2 TYR A 159 49.475 17.777 1.357 1.00 48.53 C +ATOM 953 C TYR A 159 49.539 21.927 3.847 1.00 43.63 C +ATOM 954 O TYR A 159 49.596 23.119 3.516 1.00 46.72 O +ATOM 955 N GLN A 160 48.740 21.475 4.802 1.00 39.81 N +ATOM 956 CA GLN A 160 47.887 22.389 5.518 1.00 39.65 C +ATOM 957 CB GLN A 160 47.136 21.655 6.626 1.00 42.39 C +ATOM 958 CG GLN A 160 45.996 22.467 7.251 1.00 43.73 C +ATOM 959 CD GLN A 160 45.304 21.731 8.384 1.00 46.47 C +ATOM 960 OE1 GLN A 160 44.653 20.705 8.173 1.00 48.95 O +ATOM 961 NE2 GLN A 160 45.445 22.250 9.597 1.00 47.21 N +ATOM 962 C GLN A 160 48.766 23.475 6.121 1.00 39.85 C +ATOM 963 O GLN A 160 48.529 24.676 5.932 1.00 37.42 O +ATOM 964 N ASP A 161 49.798 23.043 6.833 1.00 39.31 N +ATOM 965 CA ASP A 161 50.695 23.976 7.476 1.00 40.80 C +ATOM 966 CB ASP A 161 51.751 23.208 8.255 1.00 42.15 C +ATOM 967 CG ASP A 161 51.152 22.421 9.406 1.00 44.17 C +ATOM 968 OD1 ASP A 161 50.039 22.771 9.875 1.00 48.09 O +ATOM 969 OD2 ASP A 161 51.797 21.449 9.851 1.00 45.49 O +ATOM 970 C ASP A 161 51.324 24.895 6.454 1.00 41.17 C +ATOM 971 O ASP A 161 51.428 26.111 6.680 1.00 40.97 O +ATOM 972 N GLY A 162 51.740 24.320 5.330 1.00 40.70 N +ATOM 973 CA GLY A 162 52.333 25.132 4.286 1.00 40.58 C +ATOM 974 C GLY A 162 51.436 26.314 3.987 1.00 39.76 C +ATOM 975 O GLY A 162 51.906 27.429 3.781 1.00 41.12 O +ATOM 976 N PHE A 163 50.136 26.066 4.003 1.00 38.96 N +ATOM 977 CA PHE A 163 49.154 27.101 3.731 1.00 40.77 C +ATOM 978 CB PHE A 163 47.796 26.479 3.373 1.00 41.43 C +ATOM 979 CG PHE A 163 46.751 27.492 2.968 1.00 42.00 C +ATOM 980 CD1 PHE A 163 46.747 28.034 1.681 1.00 40.85 C +ATOM 981 CE1 PHE A 163 45.840 29.021 1.323 1.00 40.35 C +ATOM 982 CZ PHE A 163 44.903 29.491 2.260 1.00 43.11 C +ATOM 983 CE2 PHE A 163 44.888 28.961 3.541 1.00 42.90 C +ATOM 984 CD2 PHE A 163 45.816 27.957 3.891 1.00 42.09 C +ATOM 985 C PHE A 163 48.958 28.021 4.917 1.00 40.64 C +ATOM 986 O PHE A 163 48.933 29.243 4.782 1.00 41.21 O +ATOM 987 N GLU A 164 48.782 27.426 6.083 1.00 41.74 N +ATOM 988 CA GLU A 164 48.562 28.199 7.300 1.00 42.17 C +ATOM 989 CB GLU A 164 48.695 27.275 8.508 1.00 42.58 C +ATOM 990 CG GLU A 164 47.964 27.712 9.752 1.00 44.54 C +ATOM 991 CD GLU A 164 47.643 26.529 10.640 1.00 46.37 C +ATOM 992 OE1 GLU A 164 48.123 25.411 10.331 1.00 48.31 O +ATOM 993 OE2 GLU A 164 46.913 26.711 11.637 1.00 47.35 O +ATOM 994 C GLU A 164 49.584 29.339 7.371 1.00 41.54 C +ATOM 995 O GLU A 164 49.228 30.491 7.594 1.00 40.56 O +ATOM 996 N LYS A 165 50.847 29.010 7.139 1.00 40.29 N +ATOM 997 CA LYS A 165 51.925 29.992 7.166 1.00 42.01 C +ATOM 998 CB LYS A 165 53.226 29.323 6.795 1.00 45.72 C +ATOM 999 CG LYS A 165 53.511 28.121 7.616 1.00 49.37 C +ATOM 1000 CD LYS A 165 54.846 28.266 8.283 1.00 51.79 C +ATOM 1001 CE LYS A 165 55.222 26.971 8.996 1.00 55.23 C +ATOM 1002 NZ LYS A 165 55.896 25.954 8.123 1.00 54.42 N +ATOM 1003 C LYS A 165 51.751 31.194 6.251 1.00 41.52 C +ATOM 1004 O LYS A 165 51.861 32.331 6.706 1.00 40.34 O +ATOM 1005 N GLN A 166 51.526 30.935 4.959 1.00 40.59 N +ATOM 1006 CA GLN A 166 51.339 32.006 3.982 1.00 40.58 C +ATOM 1007 CB GLN A 166 51.159 31.448 2.569 1.00 42.12 C +ATOM 1008 CG GLN A 166 52.325 30.640 2.029 1.00 43.91 C +ATOM 1009 CD GLN A 166 53.649 31.333 2.190 1.00 45.93 C +ATOM 1010 OE1 GLN A 166 53.800 32.518 1.856 1.00 47.79 O +ATOM 1011 NE2 GLN A 166 54.631 30.598 2.702 1.00 45.10 N +ATOM 1012 C GLN A 166 50.114 32.820 4.330 1.00 39.18 C +ATOM 1013 O GLN A 166 50.118 34.050 4.233 1.00 38.07 O +ATOM 1014 N TYR A 167 49.066 32.111 4.738 1.00 39.06 N +ATOM 1015 CA TYR A 167 47.802 32.726 5.114 1.00 40.18 C +ATOM 1016 CB TYR A 167 46.818 31.644 5.568 1.00 42.19 C +ATOM 1017 CG TYR A 167 45.534 32.162 6.174 1.00 44.12 C +ATOM 1018 CD1 TYR A 167 44.542 32.744 5.381 1.00 45.46 C +ATOM 1019 CE1 TYR A 167 43.365 33.247 5.944 1.00 46.84 C +ATOM 1020 CZ TYR A 167 43.182 33.166 7.314 1.00 50.10 C +ATOM 1021 OH TYR A 167 42.035 33.688 7.891 1.00 54.18 O +ATOM 1022 CE2 TYR A 167 44.160 32.585 8.120 1.00 48.63 C +ATOM 1023 CD2 TYR A 167 45.323 32.090 7.547 1.00 43.99 C +ATOM 1024 C TYR A 167 48.033 33.740 6.224 1.00 39.34 C +ATOM 1025 O TYR A 167 47.472 34.832 6.222 1.00 40.68 O +ATOM 1026 N VAL A 168 48.885 33.389 7.167 1.00 40.55 N +ATOM 1027 CA VAL A 168 49.161 34.296 8.260 1.00 41.42 C +ATOM 1028 CB VAL A 168 49.814 33.572 9.431 1.00 44.08 C +ATOM 1029 CG1 VAL A 168 49.536 34.326 10.729 1.00 47.42 C +ATOM 1030 CG2 VAL A 168 49.280 32.178 9.532 1.00 45.98 C +ATOM 1031 C VAL A 168 50.100 35.380 7.777 1.00 41.38 C +ATOM 1032 O VAL A 168 49.937 36.553 8.124 1.00 40.57 O +ATOM 1033 N ALA A 169 51.096 34.980 6.996 1.00 40.65 N +ATOM 1034 CA ALA A 169 52.044 35.935 6.458 1.00 42.14 C +ATOM 1035 CB ALA A 169 53.056 35.232 5.549 1.00 38.06 C +ATOM 1036 C ALA A 169 51.224 36.944 5.662 1.00 43.00 C +ATOM 1037 O ALA A 169 51.373 38.148 5.829 1.00 43.19 O +ATOM 1038 N TYR A 170 50.327 36.440 4.825 1.00 44.19 N +ATOM 1039 CA TYR A 170 49.513 37.311 4.007 1.00 46.75 C +ATOM 1040 CB TYR A 170 48.507 36.511 3.207 1.00 47.82 C +ATOM 1041 CG TYR A 170 47.745 37.348 2.218 1.00 50.67 C +ATOM 1042 CD1 TYR A 170 46.532 37.934 2.567 1.00 53.12 C +ATOM 1043 CE1 TYR A 170 45.796 38.673 1.642 1.00 54.20 C +ATOM 1044 CZ TYR A 170 46.273 38.831 0.350 1.00 54.19 C +ATOM 1045 OH TYR A 170 45.536 39.520 -0.583 1.00 55.38 O +ATOM 1046 CE2 TYR A 170 47.479 38.268 -0.020 1.00 54.57 C +ATOM 1047 CD2 TYR A 170 48.214 37.527 0.918 1.00 53.58 C +ATOM 1048 C TYR A 170 48.775 38.281 4.897 1.00 48.11 C +ATOM 1049 O TYR A 170 48.927 39.500 4.769 1.00 48.82 O +ATOM 1050 N MET A 171 47.957 37.731 5.787 1.00 49.21 N +ATOM 1051 CA MET A 171 47.198 38.536 6.720 1.00 50.78 C +ATOM 1052 CB MET A 171 46.651 37.644 7.818 1.00 52.55 C +ATOM 1053 CG MET A 171 45.527 36.734 7.360 1.00 56.42 C +ATOM 1054 SD MET A 171 44.084 37.697 6.833 1.00 59.71 S +ATOM 1055 CE MET A 171 43.450 36.697 5.473 1.00 57.56 C +ATOM 1056 C MET A 171 48.062 39.644 7.326 1.00 52.21 C +ATOM 1057 O MET A 171 47.679 40.809 7.319 1.00 52.00 O +ATOM 1058 N GLU A 172 49.226 39.271 7.849 1.00 54.07 N +ATOM 1059 CA GLU A 172 50.155 40.221 8.442 1.00 56.04 C +ATOM 1060 CB GLU A 172 51.420 39.489 8.882 1.00 57.67 C +ATOM 1061 CG GLU A 172 52.465 40.352 9.592 1.00 60.51 C +ATOM 1062 CD GLU A 172 53.642 39.526 10.135 1.00 63.11 C +ATOM 1063 OE1 GLU A 172 53.488 38.293 10.330 1.00 63.22 O +ATOM 1064 OE2 GLU A 172 54.720 40.113 10.374 1.00 63.09 O +ATOM 1065 C GLU A 172 50.503 41.306 7.424 1.00 57.62 C +ATOM 1066 O GLU A 172 50.494 42.498 7.738 1.00 57.61 O +ATOM 1067 N GLN A 173 50.807 40.886 6.201 1.00 58.53 N +ATOM 1068 CA GLN A 173 51.135 41.822 5.136 1.00 60.12 C +ATOM 1069 CB GLN A 173 51.426 41.067 3.839 1.00 60.76 C +ATOM 1070 CG GLN A 173 51.245 41.913 2.583 1.00 66.00 C +ATOM 1071 CD GLN A 173 50.159 41.367 1.638 1.00 68.57 C +ATOM 1072 OE1 GLN A 173 50.410 40.448 0.851 1.00 68.52 O +ATOM 1073 NE2 GLN A 173 48.947 41.929 1.726 1.00 68.76 N +ATOM 1074 C GLN A 173 49.974 42.794 4.921 1.00 60.25 C +ATOM 1075 O GLN A 173 50.184 43.998 4.729 1.00 59.98 O +ATOM 1076 N ASN A 174 48.749 42.272 4.950 1.00 60.73 N +ATOM 1077 CA ASN A 174 47.570 43.108 4.763 1.00 61.37 C +ATOM 1078 CB ASN A 174 46.351 42.266 4.384 1.00 62.81 C +ATOM 1079 CG ASN A 174 46.132 42.197 2.894 1.00 63.74 C +ATOM 1080 OD1 ASN A 174 46.676 43.005 2.134 1.00 65.02 O +ATOM 1081 ND2 ASN A 174 45.311 41.241 2.463 1.00 63.33 N +ATOM 1082 C ASN A 174 47.206 43.965 5.971 1.00 61.36 C +ATOM 1083 O ASN A 174 46.686 45.062 5.807 1.00 61.49 O +ATOM 1084 N ASP A 175 47.442 43.475 7.182 1.00 61.71 N +ATOM 1085 CA ASP A 175 47.108 44.278 8.354 1.00 62.67 C +ATOM 1086 CB ASP A 175 47.314 43.493 9.660 1.00 63.26 C +ATOM 1087 CG ASP A 175 46.202 42.476 9.930 1.00 65.19 C +ATOM 1088 OD1 ASP A 175 45.074 42.646 9.414 1.00 65.52 O +ATOM 1089 OD2 ASP A 175 46.453 41.506 10.679 1.00 67.29 O +ATOM 1090 C ASP A 175 48.027 45.490 8.341 1.00 62.35 C +ATOM 1091 O ASP A 175 47.632 46.606 8.690 1.00 60.98 O +ATOM 1092 N ARG A 176 49.258 45.248 7.909 1.00 62.48 N +ATOM 1093 CA ARG A 176 50.268 46.284 7.840 1.00 63.33 C +ATOM 1094 CB ARG A 176 51.638 45.661 7.565 1.00 64.73 C +ATOM 1095 CG ARG A 176 52.759 46.674 7.381 1.00 67.30 C +ATOM 1096 CD ARG A 176 54.064 46.205 8.032 1.00 70.94 C +ATOM 1097 NE ARG A 176 53.935 46.055 9.487 1.00 74.09 N +ATOM 1098 CZ ARG A 176 54.926 46.261 10.353 1.00 74.96 C +ATOM 1099 NH1 ARG A 176 56.124 46.627 9.905 1.00 75.93 N +ATOM 1100 NH2 ARG A 176 54.722 46.113 11.662 1.00 72.65 N +ATOM 1101 C ARG A 176 49.937 47.304 6.767 1.00 63.05 C +ATOM 1102 O ARG A 176 50.115 48.505 6.970 1.00 63.38 O +ATOM 1103 N LEU A 177 49.472 46.834 5.617 1.00 61.79 N +ATOM 1104 CA LEU A 177 49.136 47.762 4.552 1.00 61.03 C +ATOM 1105 CB LEU A 177 48.711 47.021 3.283 1.00 59.48 C +ATOM 1106 CG LEU A 177 48.890 47.749 1.938 1.00 59.09 C +ATOM 1107 CD1 LEU A 177 47.953 47.128 0.925 1.00 57.72 C +ATOM 1108 CD2 LEU A 177 48.607 49.242 2.059 1.00 58.63 C +ATOM 1109 C LEU A 177 47.966 48.578 5.061 1.00 60.83 C +ATOM 1110 O LEU A 177 47.996 49.812 5.064 1.00 60.72 O +ATOM 1111 N HIS A 178 46.940 47.860 5.500 1.00 60.98 N +ATOM 1112 CA HIS A 178 45.728 48.462 6.024 1.00 62.40 C +ATOM 1113 CB HIS A 178 44.934 47.429 6.829 1.00 62.34 C +ATOM 1114 CG HIS A 178 43.819 48.020 7.630 1.00 61.88 C +ATOM 1115 ND1 HIS A 178 44.016 48.606 8.863 1.00 60.72 N +ATOM 1116 CE1 HIS A 178 42.867 49.072 9.314 1.00 60.64 C +ATOM 1117 NE2 HIS A 178 41.930 48.810 8.418 1.00 61.35 N +ATOM 1118 CD2 HIS A 178 42.499 48.152 7.357 1.00 61.50 C +ATOM 1119 C HIS A 178 46.022 49.670 6.891 1.00 63.15 C +ATOM 1120 O HIS A 178 45.588 50.774 6.575 1.00 62.89 O +ATOM 1121 N ASP A 179 46.750 49.457 7.982 1.00 64.82 N +ATOM 1122 CA ASP A 179 47.091 50.545 8.887 1.00 67.61 C +ATOM 1123 CB ASP A 179 47.936 50.028 10.055 1.00 68.34 C +ATOM 1124 CG ASP A 179 47.238 48.923 10.842 1.00 70.38 C +ATOM 1125 OD1 ASP A 179 45.983 48.908 10.872 1.00 72.53 O +ATOM 1126 OD2 ASP A 179 47.942 48.080 11.445 1.00 70.26 O +ATOM 1127 C ASP A 179 47.846 51.642 8.140 1.00 68.82 C +ATOM 1128 O ASP A 179 47.611 52.830 8.359 1.00 70.12 O +ATOM 1129 N ILE A 180 48.741 51.236 7.245 1.00 69.84 N +ATOM 1130 CA ILE A 180 49.522 52.179 6.461 1.00 70.87 C +ATOM 1131 CB ILE A 180 50.396 51.463 5.414 1.00 70.69 C +ATOM 1132 CG1 ILE A 180 51.867 51.602 5.791 1.00 71.27 C +ATOM 1133 CD1 ILE A 180 52.825 51.153 4.703 1.00 70.78 C +ATOM 1134 CG2 ILE A 180 50.170 52.054 4.034 1.00 71.56 C +ATOM 1135 C ILE A 180 48.623 53.164 5.737 1.00 72.16 C +ATOM 1136 O ILE A 180 48.974 54.331 5.588 1.00 73.42 O +ATOM 1137 N ALA A 181 47.475 52.683 5.272 1.00 73.43 N +ATOM 1138 CA ALA A 181 46.513 53.525 4.562 1.00 74.90 C +ATOM 1139 CB ALA A 181 45.482 52.653 3.851 1.00 73.28 C +ATOM 1140 C ALA A 181 45.822 54.450 5.560 1.00 76.34 C +ATOM 1141 O ALA A 181 45.814 55.674 5.391 1.00 76.66 O +ATOM 1142 N VAL A 182 45.238 53.849 6.595 1.00 78.18 N +ATOM 1143 CA VAL A 182 44.552 54.594 7.646 1.00 80.03 C +ATOM 1144 CB VAL A 182 44.269 53.692 8.873 1.00 79.80 C +ATOM 1145 CG1 VAL A 182 44.328 54.511 10.163 1.00 78.68 C +ATOM 1146 CG2 VAL A 182 42.899 53.044 8.729 1.00 79.26 C +ATOM 1147 C VAL A 182 45.459 55.727 8.081 1.00 81.50 C +ATOM 1148 O VAL A 182 45.006 56.821 8.430 1.00 82.08 O +ATOM 1149 N SER A 183 46.752 55.433 8.030 1.00 82.24 N +ATOM 1150 CA SER A 183 47.815 56.346 8.412 1.00 83.57 C +ATOM 1151 CB SER A 183 49.125 55.565 8.489 1.00 83.11 C +ATOM 1152 OG SER A 183 50.238 56.436 8.471 1.00 82.65 O +ATOM 1153 C SER A 183 48.025 57.574 7.522 1.00 85.04 C +ATOM 1154 O SER A 183 48.505 58.601 7.994 1.00 85.13 O +ATOM 1155 N ASP A 184 47.690 57.471 6.240 1.00 86.77 N +ATOM 1156 CA ASP A 184 47.882 58.589 5.318 1.00 88.69 C +ATOM 1157 CB ASP A 184 48.269 58.048 3.946 1.00 88.41 C +ATOM 1158 CG ASP A 184 49.432 57.080 4.024 1.00 88.34 C +ATOM 1159 OD1 ASP A 184 49.743 56.623 5.147 1.00 89.13 O +ATOM 1160 OD2 ASP A 184 50.030 56.767 2.973 1.00 87.28 O +ATOM 1161 C ASP A 184 46.625 59.439 5.225 1.00 90.62 C +ATOM 1162 O ASP A 184 46.681 60.627 4.908 1.00 91.03 O +ATOM 1163 N ASN A 185 45.492 58.808 5.503 1.00 93.02 N +ATOM 1164 CA ASN A 185 44.196 59.474 5.492 1.00 95.84 C +ATOM 1165 CB ASN A 185 43.085 58.420 5.508 1.00 96.63 C +ATOM 1166 CG ASN A 185 41.854 58.852 6.310 1.00 98.01 C +ATOM 1167 OD1 ASN A 185 41.112 58.005 6.819 1.00 98.14 O +ATOM 1168 ND2 ASN A 185 41.626 60.161 6.415 1.00 98.35 N +ATOM 1169 C ASN A 185 44.095 60.345 6.734 1.00 97.07 C +ATOM 1170 O ASN A 185 44.149 61.575 6.651 1.00 96.90 O +ATOM 1171 N ASN A 186 43.933 59.679 7.878 1.00 99.03 N +ATOM 1172 CA ASN A 186 43.815 60.331 9.178 1.00100.85 C +ATOM 1173 CB ASN A 186 44.014 59.309 10.302 1.00101.60 C +ATOM 1174 CG ASN A 186 43.001 58.167 10.251 1.00103.08 C +ATOM 1175 OD1 ASN A 186 42.298 57.980 9.250 1.00103.87 O +ATOM 1176 ND2 ASN A 186 42.937 57.386 11.331 1.00102.56 N +ATOM 1177 C ASN A 186 44.860 61.432 9.296 1.00101.62 C +ATOM 1178 O ASN A 186 44.752 62.324 10.130 1.00101.46 O +ATOM 1179 N ALA A 187 45.887 61.366 8.462 1.00102.44 N +ATOM 1180 CA ALA A 187 46.901 62.395 8.494 1.00104.00 C +ATOM 1181 CB ALA A 187 48.250 61.814 8.116 1.00103.67 C +ATOM 1182 C ALA A 187 46.495 63.484 7.506 1.00105.15 C +ATOM 1183 O ALA A 187 46.263 64.639 7.888 1.00105.14 O +ATOM 1184 N SER A 188 46.386 63.092 6.239 1.00106.56 N +ATOM 1185 CA SER A 188 46.036 64.009 5.161 1.00108.19 C +ATOM 1186 CB SER A 188 46.026 63.257 3.825 1.00108.29 C +ATOM 1187 OG SER A 188 46.165 64.142 2.725 1.00107.92 O +ATOM 1188 C SER A 188 44.693 64.711 5.370 1.00109.27 C +ATOM 1189 O SER A 188 44.504 65.832 4.889 1.00109.28 O +ATOM 1190 N TYR A 189 43.766 64.061 6.076 1.00110.53 N +ATOM 1191 CA TYR A 189 42.452 64.658 6.321 1.00111.98 C +ATOM 1192 CB TYR A 189 41.717 63.985 7.513 1.00112.59 C +ATOM 1193 CG TYR A 189 42.220 64.297 8.925 1.00113.58 C +ATOM 1194 CD1 TYR A 189 42.643 65.583 9.288 1.00113.80 C +ATOM 1195 CE1 TYR A 189 43.109 65.862 10.567 1.00113.98 C +ATOM 1196 CZ TYR A 189 43.151 64.848 11.509 1.00113.89 C +ATOM 1197 OH TYR A 189 43.659 65.070 12.761 1.00113.92 O +ATOM 1198 CE2 TYR A 189 42.726 63.573 11.192 1.00113.88 C +ATOM 1199 CD2 TYR A 189 42.267 63.299 9.901 1.00113.68 C +ATOM 1200 C TYR A 189 42.583 66.161 6.554 1.00112.55 C +ATOM 1201 O TYR A 189 41.694 66.907 6.094 1.00112.85 O +TER 1202 TYR A 189 +ATOM 1203 N GLU B 38 38.845 57.492 19.384 1.00108.32 N +ATOM 1204 CA GLU B 38 37.494 56.874 19.554 1.00107.95 C +ATOM 1205 CB GLU B 38 36.388 57.912 19.320 1.00109.06 C +ATOM 1206 CG GLU B 38 34.976 57.466 19.757 1.00110.08 C +ATOM 1207 CD GLU B 38 34.682 55.990 19.480 1.00110.67 C +ATOM 1208 OE1 GLU B 38 34.418 55.637 18.305 1.00111.19 O +ATOM 1209 OE2 GLU B 38 34.728 55.186 20.440 1.00110.25 O +ATOM 1210 C GLU B 38 37.327 55.744 18.546 1.00107.27 C +ATOM 1211 O GLU B 38 37.252 54.569 18.919 1.00107.02 O +ATOM 1212 N ASN B 39 37.256 56.098 17.265 1.00105.95 N +ATOM 1213 CA ASN B 39 37.095 55.077 16.247 1.00104.11 C +ATOM 1214 CB ASN B 39 36.751 55.713 14.917 1.00104.39 C +ATOM 1215 CG ASN B 39 35.362 56.246 14.921 1.00105.16 C +ATOM 1216 OD1 ASN B 39 35.141 57.424 14.699 1.00106.01 O +ATOM 1217 ND2 ASN B 39 34.399 55.375 15.205 1.00105.63 N +ATOM 1218 C ASN B 39 38.299 54.173 16.144 1.00102.61 C +ATOM 1219 O ASN B 39 38.252 53.139 15.487 1.00102.14 O +ATOM 1220 N PHE B 40 39.389 54.564 16.787 1.00100.54 N +ATOM 1221 CA PHE B 40 40.549 53.704 16.804 1.00 98.30 C +ATOM 1222 CB PHE B 40 41.763 54.455 17.341 1.00 98.77 C +ATOM 1223 CG PHE B 40 43.087 53.780 17.055 1.00 99.64 C +ATOM 1224 CD1 PHE B 40 43.210 52.798 16.062 1.00 99.34 C +ATOM 1225 CE1 PHE B 40 44.454 52.194 15.799 1.00 98.87 C +ATOM 1226 CZ PHE B 40 45.580 52.573 16.534 1.00 98.63 C +ATOM 1227 CE2 PHE B 40 45.464 53.550 17.524 1.00 98.87 C +ATOM 1228 CD2 PHE B 40 44.226 54.145 17.777 1.00 99.31 C +ATOM 1229 C PHE B 40 40.034 52.717 17.843 1.00 96.65 C +ATOM 1230 O PHE B 40 39.836 51.538 17.556 1.00 96.51 O +ATOM 1231 N THR B 41 39.747 53.248 19.029 1.00 94.58 N +ATOM 1232 CA THR B 41 39.232 52.477 20.152 1.00 92.41 C +ATOM 1233 CB THR B 41 38.609 53.413 21.209 1.00 92.93 C +ATOM 1234 OG1 THR B 41 39.627 54.272 21.739 1.00 93.69 O +ATOM 1235 CG2 THR B 41 37.983 52.606 22.353 1.00 93.09 C +ATOM 1236 C THR B 41 38.197 51.417 19.780 1.00 90.50 C +ATOM 1237 O THR B 41 38.199 50.318 20.332 1.00 91.71 O +ATOM 1238 N VAL B 42 37.311 51.740 18.851 1.00 87.66 N +ATOM 1239 CA VAL B 42 36.271 50.797 18.460 1.00 84.88 C +ATOM 1240 CB VAL B 42 35.014 51.541 17.974 1.00 85.45 C +ATOM 1241 CG1 VAL B 42 33.812 50.600 17.953 1.00 85.26 C +ATOM 1242 CG2 VAL B 42 34.758 52.739 18.854 1.00 84.74 C +ATOM 1243 C VAL B 42 36.701 49.859 17.345 1.00 83.01 C +ATOM 1244 O VAL B 42 36.070 48.835 17.117 1.00 81.86 O +ATOM 1245 N LEU B 43 37.778 50.201 16.650 1.00 81.66 N +ATOM 1246 CA LEU B 43 38.215 49.383 15.529 1.00 80.07 C +ATOM 1247 CB LEU B 43 38.395 50.276 14.289 1.00 80.84 C +ATOM 1248 CG LEU B 43 37.224 51.193 13.861 1.00 81.92 C +ATOM 1249 CD1 LEU B 43 36.748 50.791 12.490 1.00 80.28 C +ATOM 1250 CD2 LEU B 43 36.054 51.141 14.844 1.00 82.28 C +ATOM 1251 C LEU B 43 39.468 48.555 15.784 1.00 78.43 C +ATOM 1252 O LEU B 43 39.649 47.508 15.168 1.00 77.93 O +ATOM 1253 N GLN B 44 40.341 49.015 16.675 1.00 76.97 N +ATOM 1254 CA GLN B 44 41.544 48.245 16.974 1.00 75.07 C +ATOM 1255 CB GLN B 44 42.612 49.076 17.715 1.00 76.25 C +ATOM 1256 CG GLN B 44 42.207 50.482 18.164 1.00 79.01 C +ATOM 1257 CD GLN B 44 41.511 50.531 19.522 1.00 80.67 C +ATOM 1258 OE1 GLN B 44 40.526 49.830 19.757 1.00 81.02 O +ATOM 1259 NE2 GLN B 44 42.017 51.381 20.416 1.00 81.52 N +ATOM 1260 C GLN B 44 41.074 47.122 17.870 1.00 72.64 C +ATOM 1261 O GLN B 44 41.809 46.172 18.151 1.00 73.88 O +ATOM 1262 N THR B 45 39.823 47.228 18.297 1.00 68.67 N +ATOM 1263 CA THR B 45 39.269 46.236 19.187 1.00 64.53 C +ATOM 1264 CB THR B 45 38.526 46.906 20.336 1.00 63.58 C +ATOM 1265 OG1 THR B 45 38.613 46.057 21.481 1.00 63.87 O +ATOM 1266 CG2 THR B 45 37.063 47.136 19.987 1.00 62.35 C +ATOM 1267 C THR B 45 38.350 45.239 18.495 1.00 63.23 C +ATOM 1268 O THR B 45 38.425 44.039 18.762 1.00 63.90 O +ATOM 1269 N ILE B 46 37.479 45.724 17.618 1.00 58.94 N +ATOM 1270 CA ILE B 46 36.586 44.836 16.904 1.00 56.05 C +ATOM 1271 CB ILE B 46 35.569 45.633 16.062 1.00 55.88 C +ATOM 1272 CG1 ILE B 46 34.694 46.481 16.987 1.00 57.55 C +ATOM 1273 CD1 ILE B 46 33.522 47.157 16.301 1.00 56.36 C +ATOM 1274 CG2 ILE B 46 34.701 44.689 15.259 1.00 56.35 C +ATOM 1275 C ILE B 46 37.417 43.931 15.996 1.00 55.03 C +ATOM 1276 O ILE B 46 37.201 42.723 15.936 1.00 53.65 O +ATOM 1277 N ARG B 47 38.384 44.523 15.302 1.00 55.13 N +ATOM 1278 CA ARG B 47 39.249 43.773 14.394 1.00 54.30 C +ATOM 1279 CB ARG B 47 40.294 44.695 13.763 1.00 54.95 C +ATOM 1280 CG ARG B 47 41.499 44.979 14.684 1.00 59.73 C +ATOM 1281 CD ARG B 47 42.847 44.758 13.968 1.00 60.95 C +ATOM 1282 NE ARG B 47 43.639 43.684 14.573 1.00 64.17 N +ATOM 1283 CZ ARG B 47 44.633 43.043 13.954 1.00 65.13 C +ATOM 1284 NH1 ARG B 47 44.958 43.372 12.706 1.00 63.67 N +ATOM 1285 NH2 ARG B 47 45.292 42.065 14.574 1.00 64.39 N +ATOM 1286 C ARG B 47 39.986 42.720 15.206 1.00 52.71 C +ATOM 1287 O ARG B 47 40.442 41.705 14.687 1.00 51.14 O +ATOM 1288 N GLN B 48 40.107 43.002 16.496 1.00 51.43 N +ATOM 1289 CA GLN B 48 40.823 42.155 17.424 1.00 49.05 C +ATOM 1290 CB GLN B 48 41.394 43.035 18.537 1.00 50.70 C +ATOM 1291 CG GLN B 48 42.496 42.395 19.373 1.00 55.01 C +ATOM 1292 CD GLN B 48 43.835 42.364 18.659 1.00 56.94 C +ATOM 1293 OE1 GLN B 48 44.259 43.367 18.072 1.00 60.84 O +ATOM 1294 NE2 GLN B 48 44.517 41.218 18.717 1.00 56.59 N +ATOM 1295 C GLN B 48 39.977 41.033 18.021 1.00 47.49 C +ATOM 1296 O GLN B 48 40.502 39.991 18.381 1.00 46.00 O +ATOM 1297 N GLN B 49 38.677 41.250 18.157 1.00 45.32 N +ATOM 1298 CA GLN B 49 37.823 40.220 18.708 1.00 43.47 C +ATOM 1299 CB GLN B 49 36.471 40.810 19.098 1.00 43.63 C +ATOM 1300 CG GLN B 49 36.567 42.063 19.951 1.00 44.55 C +ATOM 1301 CD GLN B 49 35.199 42.555 20.415 1.00 46.30 C +ATOM 1302 OE1 GLN B 49 34.351 42.956 19.605 1.00 44.24 O +ATOM 1303 NE2 GLN B 49 34.973 42.515 21.727 1.00 46.51 N +ATOM 1304 C GLN B 49 37.642 39.218 17.586 1.00 42.45 C +ATOM 1305 O GLN B 49 37.612 37.994 17.794 1.00 40.06 O +ATOM 1306 N GLN B 50 37.541 39.779 16.387 1.00 42.14 N +ATOM 1307 CA GLN B 50 37.354 39.019 15.161 1.00 42.22 C +ATOM 1308 CB GLN B 50 37.164 39.966 13.970 1.00 44.88 C +ATOM 1309 CG GLN B 50 35.715 40.376 13.700 1.00 50.49 C +ATOM 1310 CD GLN B 50 35.599 41.579 12.753 1.00 53.03 C +ATOM 1311 OE1 GLN B 50 36.600 42.212 12.404 1.00 53.72 O +ATOM 1312 NE2 GLN B 50 34.369 41.904 12.353 1.00 52.91 N +ATOM 1313 C GLN B 50 38.531 38.109 14.896 1.00 40.35 C +ATOM 1314 O GLN B 50 38.355 36.947 14.579 1.00 39.42 O +ATOM 1315 N SER B 51 39.744 38.620 15.037 1.00 39.50 N +ATOM 1316 CA SER B 51 40.884 37.762 14.777 1.00 39.37 C +ATOM 1317 CB SER B 51 42.138 38.591 14.537 1.00 39.70 C +ATOM 1318 OG SER B 51 42.657 39.036 15.770 1.00 46.87 O +ATOM 1319 C SER B 51 41.143 36.736 15.884 1.00 37.59 C +ATOM 1320 O SER B 51 41.489 35.588 15.604 1.00 37.57 O +ATOM 1321 N THR B 52 41.013 37.132 17.142 1.00 35.78 N +ATOM 1322 CA THR B 52 41.232 36.173 18.214 1.00 36.46 C +ATOM 1323 CB THR B 52 41.065 36.805 19.573 1.00 36.27 C +ATOM 1324 OG1 THR B 52 39.818 37.513 19.614 1.00 38.86 O +ATOM 1325 CG2 THR B 52 42.200 37.751 19.858 1.00 36.56 C +ATOM 1326 C THR B 52 40.183 35.078 18.085 1.00 37.51 C +ATOM 1327 O THR B 52 40.489 33.891 17.992 1.00 39.46 O +ATOM 1328 N LEU B 53 38.930 35.493 18.064 1.00 38.35 N +ATOM 1329 CA LEU B 53 37.834 34.561 17.934 1.00 39.63 C +ATOM 1330 CB LEU B 53 36.549 35.341 17.774 1.00 41.43 C +ATOM 1331 CG LEU B 53 35.269 34.545 17.963 1.00 42.49 C +ATOM 1332 CD1 LEU B 53 35.255 33.906 19.344 1.00 43.72 C +ATOM 1333 CD2 LEU B 53 34.097 35.495 17.797 1.00 43.47 C +ATOM 1334 C LEU B 53 38.014 33.606 16.740 1.00 40.22 C +ATOM 1335 O LEU B 53 37.585 32.449 16.794 1.00 41.12 O +ATOM 1336 N ASN B 54 38.646 34.086 15.670 1.00 38.42 N +ATOM 1337 CA ASN B 54 38.868 33.265 14.484 1.00 37.34 C +ATOM 1338 CB ASN B 54 39.289 34.142 13.294 1.00 38.56 C +ATOM 1339 CG ASN B 54 39.570 33.330 12.031 1.00 39.53 C +ATOM 1340 OD1 ASN B 54 40.714 33.215 11.608 1.00 41.10 O +ATOM 1341 ND2 ASN B 54 38.522 32.760 11.431 1.00 39.33 N +ATOM 1342 C ASN B 54 39.915 32.182 14.728 1.00 37.13 C +ATOM 1343 O ASN B 54 39.689 31.010 14.402 1.00 37.03 O +ATOM 1344 N GLY B 55 41.053 32.577 15.298 1.00 35.14 N +ATOM 1345 CA GLY B 55 42.108 31.627 15.580 1.00 32.99 C +ATOM 1346 C GLY B 55 41.572 30.497 16.429 1.00 34.33 C +ATOM 1347 O GLY B 55 41.893 29.323 16.215 1.00 33.38 O +ATOM 1348 N SER B 56 40.734 30.854 17.394 1.00 33.83 N +ATOM 1349 CA SER B 56 40.146 29.861 18.262 1.00 34.89 C +ATOM 1350 CB SER B 56 39.346 30.545 19.344 1.00 36.35 C +ATOM 1351 OG SER B 56 38.597 29.587 20.046 1.00 36.66 O +ATOM 1352 C SER B 56 39.232 28.944 17.457 1.00 35.60 C +ATOM 1353 O SER B 56 39.310 27.713 17.532 1.00 35.52 O +ATOM 1354 N TRP B 57 38.338 29.556 16.699 1.00 35.60 N +ATOM 1355 CA TRP B 57 37.441 28.788 15.863 1.00 35.32 C +ATOM 1356 CB TRP B 57 36.632 29.755 14.980 1.00 36.87 C +ATOM 1357 CG TRP B 57 35.909 29.157 13.793 1.00 38.85 C +ATOM 1358 CD1 TRP B 57 35.893 29.656 12.528 1.00 40.65 C +ATOM 1359 NE1 TRP B 57 35.093 28.885 11.718 1.00 43.55 N +ATOM 1360 CE2 TRP B 57 34.578 27.860 12.453 1.00 41.05 C +ATOM 1361 CD2 TRP B 57 35.067 27.990 13.773 1.00 40.82 C +ATOM 1362 CE3 TRP B 57 34.682 27.053 14.737 1.00 41.55 C +ATOM 1363 CZ3 TRP B 57 33.828 26.019 14.360 1.00 39.82 C +ATOM 1364 CH2 TRP B 57 33.361 25.913 13.041 1.00 41.28 C +ATOM 1365 CZ2 TRP B 57 33.723 26.819 12.079 1.00 39.86 C +ATOM 1366 C TRP B 57 38.330 27.849 15.029 1.00 34.10 C +ATOM 1367 O TRP B 57 38.080 26.662 14.941 1.00 33.61 O +ATOM 1368 N VAL B 58 39.395 28.375 14.444 1.00 32.81 N +ATOM 1369 CA VAL B 58 40.262 27.540 13.634 1.00 32.43 C +ATOM 1370 CB VAL B 58 41.279 28.397 12.904 1.00 31.91 C +ATOM 1371 CG1 VAL B 58 42.442 27.578 12.444 1.00 28.26 C +ATOM 1372 CG2 VAL B 58 40.611 29.027 11.707 1.00 35.38 C +ATOM 1373 C VAL B 58 40.980 26.437 14.414 1.00 34.04 C +ATOM 1374 O VAL B 58 41.248 25.366 13.866 1.00 31.93 O +ATOM 1375 N ALA B 59 41.280 26.695 15.686 1.00 33.82 N +ATOM 1376 CA ALA B 59 41.952 25.709 16.521 1.00 34.25 C +ATOM 1377 CB ALA B 59 42.574 26.372 17.726 1.00 33.52 C +ATOM 1378 C ALA B 59 40.978 24.631 16.978 1.00 35.80 C +ATOM 1379 O ALA B 59 41.397 23.544 17.371 1.00 37.99 O +ATOM 1380 N LEU B 60 39.685 24.936 16.948 1.00 32.37 N +ATOM 1381 CA LEU B 60 38.695 23.956 17.351 1.00 32.06 C +ATOM 1382 CB LEU B 60 37.347 24.637 17.653 1.00 28.82 C +ATOM 1383 CG LEU B 60 37.345 25.476 18.944 1.00 28.77 C +ATOM 1384 CD1 LEU B 60 36.113 26.348 19.023 1.00 29.58 C +ATOM 1385 CD2 LEU B 60 37.405 24.560 20.157 1.00 28.29 C +ATOM 1386 C LEU B 60 38.555 22.923 16.237 1.00 33.48 C +ATOM 1387 O LEU B 60 38.419 21.732 16.505 1.00 32.89 O +ATOM 1388 N LEU B 61 38.609 23.382 14.989 1.00 34.03 N +ATOM 1389 CA LEU B 61 38.492 22.494 13.842 1.00 36.04 C +ATOM 1390 CB LEU B 61 38.304 23.311 12.566 1.00 36.75 C +ATOM 1391 CG LEU B 61 37.026 24.140 12.508 1.00 38.29 C +ATOM 1392 CD1 LEU B 61 37.183 25.217 11.448 1.00 36.21 C +ATOM 1393 CD2 LEU B 61 35.831 23.240 12.222 1.00 35.97 C +ATOM 1394 C LEU B 61 39.725 21.620 13.689 1.00 36.82 C +ATOM 1395 O LEU B 61 39.633 20.429 13.401 1.00 37.92 O +ATOM 1396 N GLN B 62 40.891 22.217 13.870 1.00 37.41 N +ATOM 1397 CA GLN B 62 42.113 21.457 13.721 1.00 39.01 C +ATOM 1398 CB GLN B 62 43.322 22.373 13.884 1.00 40.12 C +ATOM 1399 CG GLN B 62 43.269 23.550 12.927 1.00 44.46 C +ATOM 1400 CD GLN B 62 44.617 24.162 12.665 1.00 45.24 C +ATOM 1401 OE1 GLN B 62 44.993 24.380 11.522 1.00 48.24 O +ATOM 1402 NE2 GLN B 62 45.357 24.443 13.723 1.00 48.68 N +ATOM 1403 C GLN B 62 42.136 20.355 14.758 1.00 38.14 C +ATOM 1404 O GLN B 62 42.601 19.253 14.503 1.00 38.54 O +ATOM 1405 N THR B 63 41.611 20.673 15.930 1.00 37.72 N +ATOM 1406 CA THR B 63 41.570 19.739 17.028 1.00 38.12 C +ATOM 1407 CB THR B 63 41.192 20.467 18.298 1.00 37.72 C +ATOM 1408 OG1 THR B 63 42.287 21.299 18.689 1.00 41.84 O +ATOM 1409 CG2 THR B 63 40.903 19.487 19.407 1.00 42.08 C +ATOM 1410 C THR B 63 40.572 18.637 16.732 1.00 38.65 C +ATOM 1411 O THR B 63 40.831 17.459 16.965 1.00 35.94 O +ATOM 1412 N ARG B 64 39.421 19.023 16.211 1.00 39.68 N +ATOM 1413 CA ARG B 64 38.432 18.038 15.874 1.00 40.25 C +ATOM 1414 CB ARG B 64 37.203 18.717 15.307 1.00 41.18 C +ATOM 1415 CG ARG B 64 36.010 17.803 15.318 1.00 45.94 C +ATOM 1416 CD ARG B 64 34.942 18.258 14.355 1.00 49.76 C +ATOM 1417 NE ARG B 64 34.070 17.149 13.983 1.00 51.68 N +ATOM 1418 CZ ARG B 64 32.952 17.277 13.272 1.00 53.82 C +ATOM 1419 NH1 ARG B 64 32.561 18.472 12.850 1.00 51.87 N +ATOM 1420 NH2 ARG B 64 32.214 16.206 12.989 1.00 54.47 N +ATOM 1421 C ARG B 64 39.057 17.099 14.826 1.00 41.85 C +ATOM 1422 O ARG B 64 39.018 15.873 14.967 1.00 40.70 O +ATOM 1423 N ASN B 65 39.656 17.679 13.788 1.00 42.68 N +ATOM 1424 CA ASN B 65 40.276 16.885 12.733 1.00 44.52 C +ATOM 1425 CB ASN B 65 40.937 17.796 11.695 1.00 44.41 C +ATOM 1426 CG ASN B 65 41.693 17.006 10.626 1.00 43.81 C +ATOM 1427 OD1 ASN B 65 42.894 16.693 10.747 1.00 47.98 O +ATOM 1428 ND2 ASN B 65 40.979 16.651 9.585 1.00 41.32 N +ATOM 1429 C ASN B 65 41.312 15.899 13.252 1.00 45.05 C +ATOM 1430 O ASN B 65 41.258 14.691 12.978 1.00 45.41 O +ATOM 1431 N THR B 66 42.265 16.433 13.994 1.00 45.36 N +ATOM 1432 CA THR B 66 43.306 15.614 14.552 1.00 46.87 C +ATOM 1433 CB THR B 66 44.253 16.455 15.415 1.00 48.33 C +ATOM 1434 OG1 THR B 66 45.301 16.964 14.580 1.00 52.07 O +ATOM 1435 CG2 THR B 66 44.861 15.626 16.531 1.00 47.98 C +ATOM 1436 C THR B 66 42.710 14.490 15.367 1.00 46.28 C +ATOM 1437 O THR B 66 43.282 13.405 15.427 1.00 46.61 O +ATOM 1438 N LEU B 67 41.558 14.744 15.981 1.00 46.51 N +ATOM 1439 CA LEU B 67 40.910 13.723 16.783 1.00 47.11 C +ATOM 1440 CB LEU B 67 39.726 14.314 17.573 1.00 46.74 C +ATOM 1441 CG LEU B 67 40.039 15.048 18.891 1.00 45.19 C +ATOM 1442 CD1 LEU B 67 38.759 15.394 19.628 1.00 45.03 C +ATOM 1443 CD2 LEU B 67 40.894 14.170 19.770 1.00 46.62 C +ATOM 1444 C LEU B 67 40.455 12.567 15.895 1.00 47.77 C +ATOM 1445 O LEU B 67 40.607 11.409 16.255 1.00 48.38 O +ATOM 1446 N ASN B 68 39.926 12.871 14.720 1.00 49.28 N +ATOM 1447 CA ASN B 68 39.478 11.812 13.825 1.00 51.03 C +ATOM 1448 CB ASN B 68 38.586 12.396 12.736 1.00 49.02 C +ATOM 1449 CG ASN B 68 37.262 12.902 13.282 1.00 48.22 C +ATOM 1450 OD1 ASN B 68 36.754 13.936 12.851 1.00 50.76 O +ATOM 1451 ND2 ASN B 68 36.692 12.170 14.225 1.00 45.97 N +ATOM 1452 C ASN B 68 40.645 11.047 13.205 1.00 52.83 C +ATOM 1453 O ASN B 68 40.519 9.861 12.899 1.00 54.10 O +ATOM 1454 N ARG B 69 41.777 11.712 13.005 1.00 53.10 N +ATOM 1455 CA ARG B 69 42.925 11.009 12.455 1.00 53.60 C +ATOM 1456 CB ARG B 69 44.061 11.972 12.203 1.00 53.79 C +ATOM 1457 CG ARG B 69 43.744 13.037 11.192 1.00 53.92 C +ATOM 1458 CD ARG B 69 45.017 13.765 10.888 1.00 53.70 C +ATOM 1459 NE ARG B 69 46.059 12.820 10.502 1.00 51.90 N +ATOM 1460 CZ ARG B 69 47.349 12.999 10.761 1.00 50.60 C +ATOM 1461 NH1 ARG B 69 47.748 14.085 11.412 1.00 46.74 N +ATOM 1462 NH2 ARG B 69 48.236 12.101 10.358 1.00 50.34 N +ATOM 1463 C ARG B 69 43.360 9.967 13.487 1.00 54.83 C +ATOM 1464 O ARG B 69 43.762 8.855 13.142 1.00 53.79 O +ATOM 1465 N ALA B 70 43.273 10.337 14.761 1.00 56.12 N +ATOM 1466 CA ALA B 70 43.631 9.427 15.837 1.00 58.47 C +ATOM 1467 CB ALA B 70 43.628 10.160 17.182 1.00 55.92 C +ATOM 1468 C ALA B 70 42.581 8.316 15.821 1.00 60.37 C +ATOM 1469 O ALA B 70 42.902 7.135 15.990 1.00 60.77 O +ATOM 1470 N GLY B 71 41.328 8.706 15.598 1.00 61.59 N +ATOM 1471 CA GLY B 71 40.252 7.733 15.540 1.00 64.24 C +ATOM 1472 C GLY B 71 40.591 6.634 14.547 1.00 65.91 C +ATOM 1473 O GLY B 71 40.560 5.459 14.891 1.00 66.47 O +ATOM 1474 N ILE B 72 40.924 7.021 13.315 1.00 67.61 N +ATOM 1475 CA ILE B 72 41.302 6.079 12.258 1.00 70.39 C +ATOM 1476 CB ILE B 72 41.672 6.804 10.923 1.00 70.54 C +ATOM 1477 CG1 ILE B 72 40.415 7.045 10.096 1.00 71.23 C +ATOM 1478 CD1 ILE B 72 39.761 8.361 10.322 1.00 71.71 C +ATOM 1479 CG2 ILE B 72 42.641 5.969 10.126 1.00 71.08 C +ATOM 1480 C ILE B 72 42.523 5.262 12.719 1.00 71.88 C +ATOM 1481 O ILE B 72 42.490 4.033 12.783 1.00 72.51 O +ATOM 1482 N ARG B 73 43.601 5.974 13.017 1.00 73.00 N +ATOM 1483 CA ARG B 73 44.849 5.368 13.470 1.00 74.43 C +ATOM 1484 CB ARG B 73 45.692 6.411 14.202 1.00 74.42 C +ATOM 1485 CG ARG B 73 46.975 5.879 14.814 1.00 75.11 C +ATOM 1486 CD ARG B 73 47.978 5.381 13.759 1.00 76.60 C +ATOM 1487 NE ARG B 73 48.001 3.942 13.565 1.00 77.60 N +ATOM 1488 CZ ARG B 73 48.979 3.292 12.974 1.00 78.07 C +ATOM 1489 NH1 ARG B 73 50.031 3.948 12.505 1.00 77.54 N +ATOM 1490 NH2 ARG B 73 48.891 1.984 12.896 1.00 78.09 N +ATOM 1491 C ARG B 73 44.589 4.188 14.387 1.00 75.37 C +ATOM 1492 O ARG B 73 45.251 3.159 14.271 1.00 73.28 O +ATOM 1493 N TYR B 74 43.630 4.361 15.290 1.00 77.64 N +ATOM 1494 CA TYR B 74 43.268 3.329 16.245 1.00 80.71 C +ATOM 1495 CB TYR B 74 42.123 3.813 17.142 1.00 81.77 C +ATOM 1496 CG TYR B 74 41.784 2.846 18.275 1.00 84.28 C +ATOM 1497 CD1 TYR B 74 42.440 1.628 18.386 1.00 85.47 C +ATOM 1498 CE1 TYR B 74 42.156 0.751 19.415 1.00 87.28 C +ATOM 1499 CZ TYR B 74 41.210 1.079 20.360 1.00 87.64 C +ATOM 1500 OH TYR B 74 40.922 0.196 21.380 1.00 88.58 O +ATOM 1501 CE2 TYR B 74 40.544 2.288 20.272 1.00 86.68 C +ATOM 1502 CD2 TYR B 74 40.831 3.168 19.230 1.00 85.17 C +ATOM 1503 C TYR B 74 42.861 2.028 15.572 1.00 81.56 C +ATOM 1504 O TYR B 74 43.545 1.022 15.701 1.00 81.28 O +ATOM 1505 N MET B 75 41.718 2.056 14.909 1.00 82.50 N +ATOM 1506 CA MET B 75 41.195 0.894 14.221 1.00 84.48 C +ATOM 1507 CB MET B 75 40.171 1.342 13.203 1.00 85.06 C +ATOM 1508 CG MET B 75 39.122 2.251 13.747 1.00 86.30 C +ATOM 1509 SD MET B 75 37.634 1.492 14.533 1.00 87.82 S +ATOM 1510 CE MET B 75 38.089 -0.314 14.526 1.00 86.66 C +ATOM 1511 C MET B 75 42.335 0.199 13.493 1.00 85.79 C +ATOM 1512 O MET B 75 42.512 -1.008 13.601 1.00 86.16 O +ATOM 1513 N MET B 76 43.084 0.989 12.735 1.00 87.08 N +ATOM 1514 CA MET B 76 44.220 0.506 11.965 1.00 88.29 C +ATOM 1515 CB MET B 76 44.875 1.679 11.242 1.00 88.38 C +ATOM 1516 CG MET B 76 44.010 2.276 10.177 1.00 88.37 C +ATOM 1517 SD MET B 76 44.785 3.616 9.194 1.00 88.49 S +ATOM 1518 CE MET B 76 46.393 2.879 8.766 1.00 87.30 C +ATOM 1519 C MET B 76 45.218 -0.154 12.901 1.00 89.54 C +ATOM 1520 O MET B 76 45.863 -1.126 12.544 1.00 90.28 O +ATOM 1521 N ASP B 77 45.334 0.390 14.101 1.00 90.83 N +ATOM 1522 CA ASP B 77 46.239 -0.148 15.107 1.00 92.18 C +ATOM 1523 CB ASP B 77 46.528 0.919 16.188 1.00 92.39 C +ATOM 1524 CG ASP B 77 47.867 1.592 16.018 1.00 93.22 C +ATOM 1525 OD1 ASP B 77 48.424 1.496 14.933 1.00 93.93 O +ATOM 1526 OD2 ASP B 77 48.348 2.226 16.971 1.00 93.82 O +ATOM 1527 C ASP B 77 45.605 -1.399 15.723 1.00 92.91 C +ATOM 1528 O ASP B 77 46.279 -2.413 15.870 1.00 93.13 O +ATOM 1529 N GLN B 78 44.322 -1.331 16.075 1.00 94.24 N +ATOM 1530 CA GLN B 78 43.644 -2.487 16.657 1.00 95.61 C +ATOM 1531 CB GLN B 78 42.279 -2.097 17.251 1.00 95.52 C +ATOM 1532 CG GLN B 78 42.111 -2.433 18.745 1.00 95.96 C +ATOM 1533 CD GLN B 78 40.702 -2.753 19.140 1.00 97.14 C +ATOM 1534 OE1 GLN B 78 39.746 -2.596 18.336 1.00 96.62 O +ATOM 1535 NE2 GLN B 78 40.532 -3.219 20.391 1.00 97.71 N +ATOM 1536 C GLN B 78 43.469 -3.590 15.622 1.00 96.35 C +ATOM 1537 O GLN B 78 43.610 -4.766 15.952 1.00 95.91 O +ATOM 1538 N ASN B 79 43.163 -3.224 14.380 1.00 97.58 N +ATOM 1539 CA ASN B 79 42.990 -4.240 13.350 1.00 99.29 C +ATOM 1540 CB ASN B 79 42.198 -3.684 12.158 1.00100.15 C +ATOM 1541 CG ASN B 79 40.902 -4.430 11.927 1.00101.39 C +ATOM 1542 OD1 ASN B 79 40.821 -5.661 12.158 1.00101.52 O +ATOM 1543 ND2 ASN B 79 39.863 -3.706 11.438 1.00101.45 N +ATOM 1544 C ASN B 79 44.292 -4.907 12.890 1.00100.28 C +ATOM 1545 O ASN B 79 44.772 -5.807 13.575 1.00100.48 O +ATOM 1546 N ASN B 80 44.869 -4.473 11.769 1.00101.13 N +ATOM 1547 CA ASN B 80 46.079 -5.116 11.237 1.00101.74 C +ATOM 1548 CB ASN B 80 45.676 -5.918 10.000 1.00102.06 C +ATOM 1549 CG ASN B 80 46.228 -7.330 9.987 1.00102.37 C +ATOM 1550 OD1 ASN B 80 45.737 -8.184 9.209 1.00101.49 O +ATOM 1551 ND2 ASN B 80 47.254 -7.604 10.810 1.00102.51 N +ATOM 1552 C ASN B 80 47.218 -4.166 10.840 1.00102.06 C +ATOM 1553 O ASN B 80 48.350 -4.278 11.313 1.00101.84 O +ATOM 1554 N ILE B 81 46.863 -3.287 9.909 1.00101.82 N +ATOM 1555 CA ILE B 81 47.729 -2.277 9.283 1.00101.59 C +ATOM 1556 CB ILE B 81 47.291 -2.094 7.793 1.00101.57 C +ATOM 1557 CG1 ILE B 81 46.378 -3.255 7.395 1.00101.36 C +ATOM 1558 CD1 ILE B 81 45.327 -2.866 6.379 1.00100.44 C +ATOM 1559 CG2 ILE B 81 48.513 -2.097 6.875 1.00101.91 C +ATOM 1560 C ILE B 81 47.665 -0.928 9.984 1.00101.01 C +ATOM 1561 O ILE B 81 46.577 -0.455 10.309 1.00101.24 O +ATOM 1562 N GLY B 82 48.828 -0.306 10.179 1.00100.41 N +ATOM 1563 CA GLY B 82 48.852 1.011 10.800 1.00 98.39 C +ATOM 1564 C GLY B 82 49.835 2.004 10.213 1.00 97.31 C +ATOM 1565 O GLY B 82 51.025 2.002 10.541 1.00 98.43 O +ATOM 1566 N SER B 83 49.297 2.858 9.358 1.00 94.86 N +ATOM 1567 CA SER B 83 50.061 3.873 8.663 1.00 92.10 C +ATOM 1568 CB SER B 83 49.398 4.124 7.324 1.00 91.97 C +ATOM 1569 OG SER B 83 49.661 3.137 6.339 1.00 91.56 O +ATOM 1570 C SER B 83 50.209 5.184 9.395 1.00 90.12 C +ATOM 1571 O SER B 83 49.414 5.499 10.256 1.00 90.15 O +ATOM 1572 N GLY B 84 51.246 5.922 9.028 1.00 87.32 N +ATOM 1573 CA GLY B 84 51.516 7.212 9.639 1.00 84.38 C +ATOM 1574 C GLY B 84 51.595 7.329 11.148 1.00 81.71 C +ATOM 1575 O GLY B 84 51.769 6.351 11.852 1.00 81.61 O +ATOM 1576 N SER B 85 51.461 8.576 11.584 1.00 78.91 N +ATOM 1577 CA SER B 85 51.492 8.980 12.988 1.00 75.56 C +ATOM 1578 CB SER B 85 50.990 10.426 13.099 1.00 76.44 C +ATOM 1579 OG SER B 85 51.819 11.215 13.938 1.00 76.86 O +ATOM 1580 C SER B 85 50.693 8.102 13.926 1.00 72.08 C +ATOM 1581 O SER B 85 49.525 7.848 13.712 1.00 70.35 O +ATOM 1582 N THR B 86 51.363 7.684 14.986 1.00 68.87 N +ATOM 1583 CA THR B 86 50.764 6.821 15.998 1.00 66.26 C +ATOM 1584 CB THR B 86 51.785 6.534 17.146 1.00 66.89 C +ATOM 1585 OG1 THR B 86 51.532 7.397 18.269 1.00 66.67 O +ATOM 1586 CG2 THR B 86 53.210 6.777 16.638 1.00 66.64 C +ATOM 1587 C THR B 86 49.528 7.513 16.575 1.00 63.93 C +ATOM 1588 O THR B 86 49.212 8.622 16.211 1.00 64.82 O +ATOM 1589 N VAL B 87 48.851 6.832 17.490 1.00 62.11 N +ATOM 1590 CA VAL B 87 47.637 7.315 18.165 1.00 59.25 C +ATOM 1591 CB VAL B 87 46.832 6.126 18.799 1.00 58.11 C +ATOM 1592 CG1 VAL B 87 45.951 6.637 19.894 1.00 56.68 C +ATOM 1593 CG2 VAL B 87 46.014 5.442 17.732 1.00 57.23 C +ATOM 1594 C VAL B 87 47.918 8.364 19.240 1.00 58.22 C +ATOM 1595 O VAL B 87 47.149 9.314 19.413 1.00 55.69 O +ATOM 1596 N ALA B 88 48.995 8.139 19.976 1.00 58.00 N +ATOM 1597 CA ALA B 88 49.407 9.021 21.047 1.00 58.84 C +ATOM 1598 CB ALA B 88 50.454 8.316 21.897 1.00 59.23 C +ATOM 1599 C ALA B 88 49.917 10.385 20.603 1.00 59.01 C +ATOM 1600 O ALA B 88 49.648 11.387 21.263 1.00 59.07 O +ATOM 1601 N GLU B 89 50.664 10.427 19.506 1.00 59.28 N +ATOM 1602 CA GLU B 89 51.162 11.699 19.011 1.00 60.67 C +ATOM 1603 CB GLU B 89 52.178 11.485 17.876 1.00 64.23 C +ATOM 1604 CG GLU B 89 52.016 12.445 16.678 1.00 67.95 C +ATOM 1605 CD GLU B 89 53.339 12.826 16.019 1.00 71.14 C +ATOM 1606 OE1 GLU B 89 54.180 13.460 16.694 1.00 73.25 O +ATOM 1607 OE2 GLU B 89 53.542 12.505 14.830 1.00 71.72 O +ATOM 1608 C GLU B 89 49.972 12.497 18.508 1.00 59.67 C +ATOM 1609 O GLU B 89 49.828 13.685 18.798 1.00 59.36 O +ATOM 1610 N LEU B 90 49.108 11.816 17.767 1.00 58.69 N +ATOM 1611 CA LEU B 90 47.921 12.440 17.208 1.00 57.80 C +ATOM 1612 CB LEU B 90 47.099 11.410 16.430 1.00 55.39 C +ATOM 1613 CG LEU B 90 47.669 10.857 15.129 1.00 54.40 C +ATOM 1614 CD1 LEU B 90 46.612 10.000 14.462 1.00 55.94 C +ATOM 1615 CD2 LEU B 90 48.085 11.993 14.215 1.00 53.20 C +ATOM 1616 C LEU B 90 47.075 12.988 18.335 1.00 58.01 C +ATOM 1617 O LEU B 90 46.508 14.071 18.263 1.00 57.92 O +ATOM 1618 N MET B 91 47.019 12.224 19.401 1.00 58.99 N +ATOM 1619 CA MET B 91 46.212 12.588 20.533 1.00 60.98 C +ATOM 1620 CB MET B 91 45.967 11.322 21.338 1.00 65.07 C +ATOM 1621 CG MET B 91 44.989 11.460 22.463 1.00 70.41 C +ATOM 1622 SD MET B 91 44.265 9.820 22.721 1.00 78.67 S +ATOM 1623 CE MET B 91 45.014 9.343 24.333 1.00 76.00 C +ATOM 1624 C MET B 91 46.707 13.719 21.444 1.00 60.16 C +ATOM 1625 O MET B 91 45.919 14.281 22.197 1.00 58.55 O +ATOM 1626 N GLU B 92 47.991 14.057 21.415 1.00 59.41 N +ATOM 1627 CA GLU B 92 48.424 15.131 22.293 1.00 59.28 C +ATOM 1628 CB GLU B 92 49.706 14.753 23.042 1.00 60.82 C +ATOM 1629 CG GLU B 92 49.805 15.343 24.485 1.00 65.20 C +ATOM 1630 CD GLU B 92 48.615 14.996 25.430 1.00 67.30 C +ATOM 1631 OE1 GLU B 92 47.466 14.812 24.964 1.00 68.77 O +ATOM 1632 OE2 GLU B 92 48.830 14.931 26.663 1.00 68.57 O +ATOM 1633 C GLU B 92 48.581 16.415 21.501 1.00 58.35 C +ATOM 1634 O GLU B 92 48.831 17.481 22.064 1.00 58.80 O +ATOM 1635 N SER B 93 48.434 16.301 20.184 1.00 56.32 N +ATOM 1636 CA SER B 93 48.477 17.467 19.315 1.00 54.12 C +ATOM 1637 CB SER B 93 48.591 17.074 17.852 1.00 54.37 C +ATOM 1638 OG SER B 93 49.699 16.231 17.650 1.00 59.89 O +ATOM 1639 C SER B 93 47.093 18.003 19.550 1.00 51.61 C +ATOM 1640 O SER B 93 46.906 19.179 19.841 1.00 51.57 O +ATOM 1641 N ALA B 94 46.123 17.104 19.419 1.00 49.82 N +ATOM 1642 CA ALA B 94 44.728 17.435 19.640 1.00 48.39 C +ATOM 1643 CB ALA B 94 43.901 16.164 19.749 1.00 47.85 C +ATOM 1644 C ALA B 94 44.700 18.180 20.952 1.00 47.32 C +ATOM 1645 O ALA B 94 44.007 19.182 21.111 1.00 47.15 O +ATOM 1646 N SER B 95 45.509 17.694 21.881 1.00 47.76 N +ATOM 1647 CA SER B 95 45.595 18.279 23.204 1.00 47.69 C +ATOM 1648 CB SER B 95 46.347 17.327 24.119 1.00 47.93 C +ATOM 1649 OG SER B 95 45.902 17.471 25.449 1.00 53.00 O +ATOM 1650 C SER B 95 46.266 19.654 23.231 1.00 46.81 C +ATOM 1651 O SER B 95 45.902 20.504 24.038 1.00 47.48 O +ATOM 1652 N ILE B 96 47.259 19.851 22.370 1.00 46.09 N +ATOM 1653 CA ILE B 96 47.978 21.114 22.279 1.00 45.33 C +ATOM 1654 CB ILE B 96 49.340 20.907 21.590 1.00 45.18 C +ATOM 1655 CG1 ILE B 96 50.196 19.992 22.464 1.00 45.69 C +ATOM 1656 CD1 ILE B 96 51.478 19.550 21.826 1.00 45.93 C +ATOM 1657 CG2 ILE B 96 50.034 22.241 21.363 1.00 43.08 C +ATOM 1658 C ILE B 96 47.143 22.137 21.502 1.00 46.74 C +ATOM 1659 O ILE B 96 46.836 23.217 22.021 1.00 48.85 O +ATOM 1660 N SER B 97 46.761 21.798 20.271 1.00 44.95 N +ATOM 1661 CA SER B 97 45.944 22.692 19.464 1.00 43.65 C +ATOM 1662 CB SER B 97 45.591 22.028 18.135 1.00 42.53 C +ATOM 1663 OG SER B 97 44.942 20.794 18.347 1.00 40.62 O +ATOM 1664 C SER B 97 44.660 23.072 20.209 1.00 43.76 C +ATOM 1665 O SER B 97 44.100 24.157 19.991 1.00 45.09 O +ATOM 1666 N LEU B 98 44.183 22.185 21.079 1.00 42.60 N +ATOM 1667 CA LEU B 98 42.972 22.482 21.844 1.00 43.39 C +ATOM 1668 CB LEU B 98 42.446 21.246 22.555 1.00 42.51 C +ATOM 1669 CG LEU B 98 41.330 21.465 23.593 1.00 45.21 C +ATOM 1670 CD1 LEU B 98 40.326 22.525 23.142 1.00 45.34 C +ATOM 1671 CD2 LEU B 98 40.624 20.145 23.839 1.00 44.98 C +ATOM 1672 C LEU B 98 43.247 23.568 22.866 1.00 43.91 C +ATOM 1673 O LEU B 98 42.446 24.480 23.050 1.00 43.52 O +ATOM 1674 N LYS B 99 44.383 23.464 23.538 1.00 44.44 N +ATOM 1675 CA LYS B 99 44.753 24.468 24.509 1.00 45.85 C +ATOM 1676 CB LYS B 99 46.117 24.146 25.098 1.00 49.28 C +ATOM 1677 CG LYS B 99 46.240 22.767 25.693 1.00 52.55 C +ATOM 1678 CD LYS B 99 45.934 22.778 27.182 1.00 56.15 C +ATOM 1679 CE LYS B 99 44.613 22.076 27.502 1.00 57.03 C +ATOM 1680 NZ LYS B 99 44.581 20.650 27.028 1.00 58.51 N +ATOM 1681 C LYS B 99 44.866 25.768 23.736 1.00 45.10 C +ATOM 1682 O LYS B 99 44.479 26.827 24.219 1.00 45.10 O +ATOM 1683 N GLN B 100 45.422 25.657 22.531 1.00 44.19 N +ATOM 1684 CA GLN B 100 45.630 26.783 21.635 1.00 43.30 C +ATOM 1685 CB GLN B 100 46.205 26.284 20.306 1.00 44.67 C +ATOM 1686 CG GLN B 100 46.650 27.374 19.350 1.00 44.32 C +ATOM 1687 CD GLN B 100 47.555 28.386 20.003 1.00 45.92 C +ATOM 1688 OE1 GLN B 100 48.166 28.122 21.035 1.00 45.49 O +ATOM 1689 NE2 GLN B 100 47.660 29.557 19.391 1.00 50.27 N +ATOM 1690 C GLN B 100 44.309 27.483 21.409 1.00 43.05 C +ATOM 1691 O GLN B 100 44.255 28.701 21.210 1.00 43.48 O +ATOM 1692 N ALA B 101 43.236 26.706 21.464 1.00 42.91 N +ATOM 1693 CA ALA B 101 41.897 27.246 21.278 1.00 43.06 C +ATOM 1694 CB ALA B 101 40.928 26.126 21.000 1.00 40.43 C +ATOM 1695 C ALA B 101 41.409 28.049 22.477 1.00 44.41 C +ATOM 1696 O ALA B 101 40.785 29.104 22.318 1.00 46.14 O +ATOM 1697 N GLU B 102 41.678 27.546 23.676 1.00 44.33 N +ATOM 1698 CA GLU B 102 41.227 28.210 24.895 1.00 44.54 C +ATOM 1699 CB GLU B 102 41.482 27.313 26.102 1.00 45.88 C +ATOM 1700 CG GLU B 102 41.018 25.886 25.879 1.00 51.20 C +ATOM 1701 CD GLU B 102 41.691 24.918 26.827 1.00 53.83 C +ATOM 1702 OE1 GLU B 102 42.633 25.362 27.517 1.00 54.65 O +ATOM 1703 OE2 GLU B 102 41.296 23.725 26.881 1.00 55.00 O +ATOM 1704 C GLU B 102 41.957 29.516 25.073 1.00 41.70 C +ATOM 1705 O GLU B 102 41.390 30.510 25.539 1.00 41.17 O +ATOM 1706 N LYS B 103 43.222 29.502 24.687 1.00 38.36 N +ATOM 1707 CA LYS B 103 44.054 30.677 24.800 1.00 38.33 C +ATOM 1708 CB LYS B 103 45.487 30.323 24.419 1.00 39.83 C +ATOM 1709 CG LYS B 103 46.313 31.520 24.026 1.00 41.60 C +ATOM 1710 CD LYS B 103 47.759 31.151 23.884 1.00 42.35 C +ATOM 1711 CE LYS B 103 48.374 31.854 22.680 1.00 44.33 C +ATOM 1712 NZ LYS B 103 48.226 33.343 22.746 1.00 44.78 N +ATOM 1713 C LYS B 103 43.524 31.790 23.911 1.00 37.58 C +ATOM 1714 O LYS B 103 43.497 32.960 24.304 1.00 35.58 O +ATOM 1715 N ASN B 104 43.103 31.416 22.708 1.00 36.96 N +ATOM 1716 CA ASN B 104 42.556 32.383 21.775 1.00 34.38 C +ATOM 1717 CB ASN B 104 42.451 31.777 20.385 1.00 36.96 C +ATOM 1718 CG ASN B 104 43.735 31.896 19.620 1.00 36.94 C +ATOM 1719 OD1 ASN B 104 44.238 30.927 19.074 1.00 39.46 O +ATOM 1720 ND2 ASN B 104 44.277 33.100 19.574 1.00 40.66 N +ATOM 1721 C ASN B 104 41.199 32.841 22.253 1.00 33.24 C +ATOM 1722 O ASN B 104 40.819 34.007 22.064 1.00 34.83 O +ATOM 1723 N TRP B 105 40.456 31.933 22.871 1.00 29.48 N +ATOM 1724 CA TRP B 105 39.150 32.302 23.405 1.00 27.10 C +ATOM 1725 CB TRP B 105 38.422 31.090 23.944 1.00 17.38 C +ATOM 1726 CG TRP B 105 37.117 31.403 24.522 1.00 12.47 C +ATOM 1727 CD1 TRP B 105 36.834 31.549 25.841 1.00 13.56 C +ATOM 1728 NE1 TRP B 105 35.488 31.906 26.005 1.00 14.63 N +ATOM 1729 CE2 TRP B 105 34.897 31.979 24.780 1.00 10.26 C +ATOM 1730 CD2 TRP B 105 35.882 31.688 23.801 1.00 8.57 C +ATOM 1731 CE3 TRP B 105 35.524 31.687 22.456 1.00 12.25 C +ATOM 1732 CZ3 TRP B 105 34.205 32.019 22.115 1.00 14.45 C +ATOM 1733 CH2 TRP B 105 33.260 32.312 23.103 1.00 13.90 C +ATOM 1734 CZ2 TRP B 105 33.591 32.314 24.430 1.00 11.70 C +ATOM 1735 C TRP B 105 39.347 33.291 24.538 1.00 29.37 C +ATOM 1736 O TRP B 105 38.598 34.250 24.668 1.00 30.72 O +ATOM 1737 N ALA B 106 40.366 33.035 25.350 1.00 31.33 N +ATOM 1738 CA ALA B 106 40.684 33.877 26.479 1.00 34.67 C +ATOM 1739 CB ALA B 106 41.747 33.201 27.339 1.00 35.62 C +ATOM 1740 C ALA B 106 41.164 35.258 26.017 1.00 36.41 C +ATOM 1741 O ALA B 106 40.758 36.275 26.593 1.00 35.55 O +ATOM 1742 N ASP B 107 42.031 35.297 25.003 1.00 36.89 N +ATOM 1743 CA ASP B 107 42.505 36.579 24.478 1.00 38.24 C +ATOM 1744 CB ASP B 107 43.454 36.380 23.282 1.00 38.55 C +ATOM 1745 CG ASP B 107 44.788 35.737 23.673 1.00 40.83 C +ATOM 1746 OD1 ASP B 107 45.171 35.793 24.878 1.00 40.96 O +ATOM 1747 OD2 ASP B 107 45.458 35.186 22.758 1.00 38.28 O +ATOM 1748 C ASP B 107 41.275 37.375 24.015 1.00 39.61 C +ATOM 1749 O ASP B 107 41.171 38.597 24.206 1.00 38.46 O +ATOM 1750 N TYR B 108 40.332 36.648 23.427 1.00 40.29 N +ATOM 1751 CA TYR B 108 39.111 37.224 22.922 1.00 40.51 C +ATOM 1752 CB TYR B 108 38.304 36.138 22.229 1.00 42.02 C +ATOM 1753 CG TYR B 108 36.856 36.478 22.045 1.00 42.12 C +ATOM 1754 CD1 TYR B 108 36.423 37.273 20.991 1.00 43.65 C +ATOM 1755 CE1 TYR B 108 35.074 37.616 20.858 1.00 43.91 C +ATOM 1756 CZ TYR B 108 34.164 37.161 21.795 1.00 43.88 C +ATOM 1757 OH TYR B 108 32.842 37.526 21.751 1.00 43.22 O +ATOM 1758 CE2 TYR B 108 34.581 36.366 22.838 1.00 45.92 C +ATOM 1759 CD2 TYR B 108 35.915 36.031 22.956 1.00 46.46 C +ATOM 1760 C TYR B 108 38.300 37.844 24.035 1.00 41.92 C +ATOM 1761 O TYR B 108 38.025 39.052 24.029 1.00 43.50 O +ATOM 1762 N GLU B 109 37.924 37.011 24.995 1.00 41.58 N +ATOM 1763 CA GLU B 109 37.133 37.447 26.125 1.00 41.36 C +ATOM 1764 CB GLU B 109 36.978 36.295 27.117 1.00 45.62 C +ATOM 1765 CG GLU B 109 36.153 35.122 26.570 1.00 49.83 C +ATOM 1766 CD GLU B 109 35.093 34.660 27.557 1.00 53.44 C +ATOM 1767 OE1 GLU B 109 35.439 34.447 28.741 1.00 54.87 O +ATOM 1768 OE2 GLU B 109 33.917 34.509 27.149 1.00 54.64 O +ATOM 1769 C GLU B 109 37.728 38.659 26.822 1.00 41.15 C +ATOM 1770 O GLU B 109 37.024 39.610 27.139 1.00 41.62 O +ATOM 1771 N ALA B 110 39.030 38.631 27.056 1.00 41.83 N +ATOM 1772 CA ALA B 110 39.700 39.734 27.734 1.00 44.52 C +ATOM 1773 CB ALA B 110 41.160 39.398 27.928 1.00 43.61 C +ATOM 1774 C ALA B 110 39.569 41.060 26.979 1.00 47.20 C +ATOM 1775 O ALA B 110 39.885 42.128 27.500 1.00 46.43 O +ATOM 1776 N LEU B 111 39.117 40.988 25.737 1.00 50.28 N +ATOM 1777 CA LEU B 111 38.958 42.189 24.944 1.00 52.28 C +ATOM 1778 CB LEU B 111 38.798 41.810 23.465 1.00 52.89 C +ATOM 1779 CG LEU B 111 39.981 42.109 22.521 1.00 53.47 C +ATOM 1780 CD1 LEU B 111 41.304 42.197 23.268 1.00 50.63 C +ATOM 1781 CD2 LEU B 111 40.028 41.039 21.444 1.00 51.59 C +ATOM 1782 C LEU B 111 37.747 42.967 25.467 1.00 54.47 C +ATOM 1783 O LEU B 111 36.620 42.453 25.533 1.00 54.05 O +ATOM 1784 N PRO B 112 37.969 44.225 25.853 1.00 55.38 N +ATOM 1785 CA PRO B 112 36.910 45.083 26.379 1.00 56.50 C +ATOM 1786 CB PRO B 112 37.648 46.376 26.692 1.00 56.13 C +ATOM 1787 CG PRO B 112 38.615 46.451 25.576 1.00 57.04 C +ATOM 1788 CD PRO B 112 39.160 45.023 25.525 1.00 56.74 C +ATOM 1789 C PRO B 112 35.825 45.271 25.346 1.00 57.17 C +ATOM 1790 O PRO B 112 36.093 45.693 24.227 1.00 57.38 O +ATOM 1791 N ARG B 113 34.595 44.972 25.742 1.00 58.41 N +ATOM 1792 CA ARG B 113 33.434 45.078 24.863 1.00 59.53 C +ATOM 1793 CB ARG B 113 32.293 44.276 25.471 1.00 60.86 C +ATOM 1794 CG ARG B 113 31.582 43.378 24.499 1.00 65.24 C +ATOM 1795 CD ARG B 113 30.507 42.604 25.228 1.00 68.04 C +ATOM 1796 NE ARG B 113 31.072 41.771 26.287 1.00 70.26 N +ATOM 1797 CZ ARG B 113 30.358 41.226 27.268 1.00 70.38 C +ATOM 1798 NH1 ARG B 113 29.048 41.433 27.330 1.00 70.58 N +ATOM 1799 NH2 ARG B 113 30.951 40.463 28.179 1.00 69.70 N +ATOM 1800 C ARG B 113 32.945 46.501 24.566 1.00 59.52 C +ATOM 1801 O ARG B 113 33.059 47.398 25.399 1.00 59.88 O +ATOM 1802 N ASP B 114 32.390 46.691 23.373 1.00 59.82 N +ATOM 1803 CA ASP B 114 31.853 47.983 22.966 1.00 59.59 C +ATOM 1804 CB ASP B 114 31.729 48.048 21.446 1.00 61.04 C +ATOM 1805 CG ASP B 114 31.635 49.470 20.930 1.00 62.48 C +ATOM 1806 OD1 ASP B 114 32.703 50.094 20.764 1.00 63.47 O +ATOM 1807 OD2 ASP B 114 30.503 49.960 20.699 1.00 63.02 O +ATOM 1808 C ASP B 114 30.459 48.099 23.598 1.00 58.75 C +ATOM 1809 O ASP B 114 29.755 47.102 23.746 1.00 59.08 O +ATOM 1810 N PRO B 115 30.045 49.320 23.971 1.00 57.73 N +ATOM 1811 CA PRO B 115 28.748 49.599 24.597 1.00 56.59 C +ATOM 1812 CB PRO B 115 28.797 51.112 24.838 1.00 57.31 C +ATOM 1813 CG PRO B 115 30.257 51.397 24.978 1.00 57.21 C +ATOM 1814 CD PRO B 115 30.839 50.556 23.869 1.00 57.93 C +ATOM 1815 C PRO B 115 27.534 49.209 23.770 1.00 56.42 C +ATOM 1816 O PRO B 115 26.447 48.985 24.314 1.00 55.82 O +ATOM 1817 N ARG B 116 27.716 49.134 22.457 1.00 54.57 N +ATOM 1818 CA ARG B 116 26.609 48.809 21.572 1.00 53.40 C +ATOM 1819 CB ARG B 116 26.652 49.720 20.346 1.00 53.97 C +ATOM 1820 CG ARG B 116 26.517 51.193 20.685 1.00 53.91 C +ATOM 1821 CD ARG B 116 27.132 52.043 19.585 1.00 54.25 C +ATOM 1822 NE ARG B 116 28.581 52.164 19.745 1.00 55.24 N +ATOM 1823 CZ ARG B 116 29.434 52.413 18.753 1.00 54.75 C +ATOM 1824 NH1 ARG B 116 28.988 52.563 17.511 1.00 54.67 N +ATOM 1825 NH2 ARG B 116 30.736 52.521 19.003 1.00 53.86 N +ATOM 1826 C ARG B 116 26.591 47.354 21.144 1.00 51.50 C +ATOM 1827 O ARG B 116 25.711 46.934 20.403 1.00 51.25 O +ATOM 1828 N GLN B 117 27.568 46.592 21.615 1.00 50.67 N +ATOM 1829 CA GLN B 117 27.655 45.172 21.295 1.00 50.10 C +ATOM 1830 CB GLN B 117 29.097 44.664 21.490 1.00 50.76 C +ATOM 1831 CG GLN B 117 30.006 44.888 20.277 1.00 49.64 C +ATOM 1832 CD GLN B 117 31.478 44.609 20.543 1.00 51.04 C +ATOM 1833 OE1 GLN B 117 31.970 44.788 21.656 1.00 51.56 O +ATOM 1834 NE2 GLN B 117 32.194 44.197 19.505 1.00 53.11 N +ATOM 1835 C GLN B 117 26.696 44.398 22.192 1.00 48.85 C +ATOM 1836 O GLN B 117 26.674 44.584 23.402 1.00 49.68 O +ATOM 1837 N SER B 118 25.884 43.548 21.584 1.00 49.27 N +ATOM 1838 CA SER B 118 24.909 42.738 22.320 1.00 49.49 C +ATOM 1839 CB SER B 118 24.121 41.877 21.341 1.00 47.64 C +ATOM 1840 OG SER B 118 23.240 41.031 22.031 1.00 47.69 O +ATOM 1841 C SER B 118 25.583 41.838 23.353 1.00 49.45 C +ATOM 1842 O SER B 118 26.521 41.101 23.026 1.00 50.78 O +ATOM 1843 N THR B 119 25.094 41.887 24.590 1.00 49.13 N +ATOM 1844 CA THR B 119 25.664 41.091 25.673 1.00 49.64 C +ATOM 1845 CB THR B 119 25.632 41.899 27.021 1.00 51.94 C +ATOM 1846 OG1 THR B 119 25.273 41.036 28.112 1.00 54.32 O +ATOM 1847 CG2 THR B 119 24.646 43.070 26.928 1.00 52.00 C +ATOM 1848 C THR B 119 25.019 39.709 25.828 1.00 48.37 C +ATOM 1849 O THR B 119 25.371 38.938 26.714 1.00 50.26 O +ATOM 1850 N ALA B 120 24.071 39.407 24.954 1.00 47.93 N +ATOM 1851 CA ALA B 120 23.403 38.110 24.942 1.00 47.77 C +ATOM 1852 CB ALA B 120 21.923 38.284 24.724 1.00 47.39 C +ATOM 1853 C ALA B 120 24.035 37.405 23.751 1.00 46.75 C +ATOM 1854 O ALA B 120 24.086 36.179 23.676 1.00 45.43 O +ATOM 1855 N ALA B 121 24.500 38.211 22.807 1.00 46.09 N +ATOM 1856 CA ALA B 121 25.175 37.685 21.645 1.00 45.86 C +ATOM 1857 CB ALA B 121 25.451 38.803 20.654 1.00 46.07 C +ATOM 1858 C ALA B 121 26.472 37.127 22.222 1.00 44.46 C +ATOM 1859 O ALA B 121 26.771 35.944 22.066 1.00 44.98 O +ATOM 1860 N ALA B 122 27.209 37.974 22.933 1.00 42.67 N +ATOM 1861 CA ALA B 122 28.468 37.559 23.556 1.00 41.41 C +ATOM 1862 CB ALA B 122 29.052 38.712 24.396 1.00 36.62 C +ATOM 1863 C ALA B 122 28.302 36.315 24.445 1.00 41.42 C +ATOM 1864 O ALA B 122 29.213 35.501 24.555 1.00 40.86 O +ATOM 1865 N ALA B 123 27.144 36.180 25.085 1.00 42.32 N +ATOM 1866 CA ALA B 123 26.896 35.057 25.974 1.00 42.18 C +ATOM 1867 CB ALA B 123 25.909 35.458 27.037 1.00 41.70 C +ATOM 1868 C ALA B 123 26.388 33.832 25.252 1.00 44.55 C +ATOM 1869 O ALA B 123 26.511 32.718 25.749 1.00 46.25 O +ATOM 1870 N GLU B 124 25.789 34.039 24.088 1.00 46.10 N +ATOM 1871 CA GLU B 124 25.258 32.944 23.308 1.00 47.56 C +ATOM 1872 CB GLU B 124 24.227 33.482 22.313 1.00 51.32 C +ATOM 1873 CG GLU B 124 22.789 33.040 22.586 1.00 56.22 C +ATOM 1874 CD GLU B 124 22.608 31.540 22.402 1.00 59.27 C +ATOM 1875 OE1 GLU B 124 22.729 31.070 21.249 1.00 60.95 O +ATOM 1876 OE2 GLU B 124 22.361 30.832 23.408 1.00 59.49 O +ATOM 1877 C GLU B 124 26.418 32.264 22.576 1.00 48.71 C +ATOM 1878 O GLU B 124 26.453 31.036 22.413 1.00 48.60 O +ATOM 1879 N ILE B 125 27.379 33.067 22.140 1.00 47.73 N +ATOM 1880 CA ILE B 125 28.526 32.516 21.445 1.00 47.61 C +ATOM 1881 CB ILE B 125 29.381 33.641 20.807 1.00 47.56 C +ATOM 1882 CG1 ILE B 125 30.403 33.028 19.849 1.00 47.92 C +ATOM 1883 CD1 ILE B 125 31.226 34.049 19.130 1.00 50.92 C +ATOM 1884 CG2 ILE B 125 30.074 34.461 21.879 1.00 45.79 C +ATOM 1885 C ILE B 125 29.364 31.734 22.456 1.00 48.17 C +ATOM 1886 O ILE B 125 29.818 30.618 22.183 1.00 45.98 O +ATOM 1887 N LYS B 126 29.541 32.332 23.633 1.00 49.08 N +ATOM 1888 CA LYS B 126 30.319 31.730 24.713 1.00 50.06 C +ATOM 1889 CB LYS B 126 30.365 32.672 25.913 1.00 50.08 C +ATOM 1890 CG LYS B 126 31.008 32.048 27.127 1.00 52.78 C +ATOM 1891 CD LYS B 126 31.172 33.030 28.276 1.00 54.01 C +ATOM 1892 CE LYS B 126 31.929 32.361 29.410 1.00 53.61 C +ATOM 1893 NZ LYS B 126 31.353 31.001 29.648 1.00 55.16 N +ATOM 1894 C LYS B 126 29.736 30.398 25.160 1.00 50.03 C +ATOM 1895 O LYS B 126 30.451 29.500 25.613 1.00 48.51 O +ATOM 1896 N ARG B 127 28.420 30.289 25.047 1.00 49.71 N +ATOM 1897 CA ARG B 127 27.745 29.074 25.434 1.00 49.51 C +ATOM 1898 CB ARG B 127 26.249 29.337 25.563 1.00 51.78 C +ATOM 1899 CG ARG B 127 25.448 28.151 26.050 1.00 54.04 C +ATOM 1900 CD ARG B 127 23.989 28.325 25.685 1.00 55.60 C +ATOM 1901 NE ARG B 127 23.281 27.052 25.697 1.00 60.72 N +ATOM 1902 CZ ARG B 127 22.639 26.541 24.649 1.00 62.52 C +ATOM 1903 NH1 ARG B 127 22.615 27.200 23.497 1.00 64.58 N +ATOM 1904 NH2 ARG B 127 22.021 25.368 24.751 1.00 62.95 N +ATOM 1905 C ARG B 127 28.027 27.995 24.395 1.00 48.46 C +ATOM 1906 O ARG B 127 28.449 26.905 24.753 1.00 48.84 O +ATOM 1907 N ASN B 128 27.821 28.306 23.114 1.00 47.90 N +ATOM 1908 CA ASN B 128 28.070 27.348 22.033 1.00 46.75 C +ATOM 1909 CB ASN B 128 27.606 27.928 20.698 1.00 48.87 C +ATOM 1910 CG ASN B 128 26.094 28.140 20.639 1.00 49.74 C +ATOM 1911 OD1 ASN B 128 25.384 27.921 21.609 1.00 51.59 O +ATOM 1912 ND2 ASN B 128 25.604 28.580 19.489 1.00 53.18 N +ATOM 1913 C ASN B 128 29.560 26.990 21.972 1.00 45.99 C +ATOM 1914 O ASN B 128 29.935 25.888 21.551 1.00 45.56 O +ATOM 1915 N TYR B 129 30.395 27.932 22.411 1.00 43.75 N +ATOM 1916 CA TYR B 129 31.842 27.756 22.466 1.00 41.84 C +ATOM 1917 CB TYR B 129 32.532 29.093 22.762 1.00 35.62 C +ATOM 1918 CG TYR B 129 33.924 28.922 23.329 1.00 27.40 C +ATOM 1919 CD1 TYR B 129 34.988 28.555 22.507 1.00 27.85 C +ATOM 1920 CE1 TYR B 129 36.245 28.283 23.038 1.00 27.19 C +ATOM 1921 CZ TYR B 129 36.452 28.386 24.411 1.00 27.53 C +ATOM 1922 OH TYR B 129 37.712 28.130 24.919 1.00 32.30 O +ATOM 1923 CE2 TYR B 129 35.413 28.757 25.255 1.00 23.38 C +ATOM 1924 CD2 TYR B 129 34.156 29.024 24.704 1.00 26.74 C +ATOM 1925 C TYR B 129 32.196 26.774 23.587 1.00 44.57 C +ATOM 1926 O TYR B 129 33.079 25.928 23.443 1.00 44.78 O +ATOM 1927 N ASP B 130 31.525 26.918 24.724 1.00 47.12 N +ATOM 1928 CA ASP B 130 31.777 26.030 25.848 1.00 49.37 C +ATOM 1929 CB ASP B 130 31.048 26.514 27.096 1.00 51.82 C +ATOM 1930 CG ASP B 130 31.793 27.616 27.804 1.00 54.63 C +ATOM 1931 OD1 ASP B 130 33.024 27.460 27.989 1.00 54.09 O +ATOM 1932 OD2 ASP B 130 31.150 28.630 28.177 1.00 55.67 O +ATOM 1933 C ASP B 130 31.364 24.592 25.580 1.00 49.90 C +ATOM 1934 O ASP B 130 32.080 23.668 25.954 1.00 50.30 O +ATOM 1935 N ILE B 131 30.210 24.400 24.944 1.00 49.98 N +ATOM 1936 CA ILE B 131 29.729 23.047 24.671 1.00 51.11 C +ATOM 1937 CB ILE B 131 28.177 23.044 24.378 1.00 51.55 C +ATOM 1938 CG1 ILE B 131 27.847 22.321 23.074 1.00 50.55 C +ATOM 1939 CD1 ILE B 131 26.420 22.626 22.583 1.00 51.19 C +ATOM 1940 CG2 ILE B 131 27.646 24.461 24.311 1.00 52.47 C +ATOM 1941 C ILE B 131 30.516 22.368 23.554 1.00 50.92 C +ATOM 1942 O ILE B 131 30.826 21.179 23.633 1.00 48.89 O +ATOM 1943 N TYR B 132 30.858 23.127 22.520 1.00 52.65 N +ATOM 1944 CA TYR B 132 31.626 22.565 21.417 1.00 52.09 C +ATOM 1945 CB TYR B 132 31.733 23.572 20.266 1.00 50.49 C +ATOM 1946 CG TYR B 132 32.576 23.097 19.097 1.00 50.03 C +ATOM 1947 CD1 TYR B 132 32.663 21.732 18.778 1.00 49.71 C +ATOM 1948 CE1 TYR B 132 33.426 21.287 17.689 1.00 49.17 C +ATOM 1949 CZ TYR B 132 34.109 22.215 16.906 1.00 49.06 C +ATOM 1950 OH TYR B 132 34.857 21.784 15.833 1.00 49.69 O +ATOM 1951 CE2 TYR B 132 34.038 23.574 17.199 1.00 47.22 C +ATOM 1952 CD2 TYR B 132 33.274 24.010 18.292 1.00 47.65 C +ATOM 1953 C TYR B 132 33.007 22.236 21.961 1.00 52.68 C +ATOM 1954 O TYR B 132 33.537 21.146 21.722 1.00 53.46 O +ATOM 1955 N HIS B 133 33.563 23.173 22.728 1.00 52.11 N +ATOM 1956 CA HIS B 133 34.889 23.009 23.302 1.00 52.28 C +ATOM 1957 CB HIS B 133 35.285 24.241 24.096 1.00 52.72 C +ATOM 1958 CG HIS B 133 36.199 23.936 25.234 1.00 54.50 C +ATOM 1959 ND1 HIS B 133 37.399 23.279 25.070 1.00 56.54 N +ATOM 1960 CE1 HIS B 133 37.953 23.075 26.251 1.00 55.60 C +ATOM 1961 NE2 HIS B 133 37.156 23.580 27.175 1.00 55.45 N +ATOM 1962 CD2 HIS B 133 36.055 24.127 26.565 1.00 55.58 C +ATOM 1963 C HIS B 133 34.959 21.808 24.208 1.00 53.08 C +ATOM 1964 O HIS B 133 35.971 21.111 24.265 1.00 53.98 O +ATOM 1965 N ASN B 134 33.880 21.581 24.939 1.00 54.37 N +ATOM 1966 CA ASN B 134 33.833 20.446 25.831 1.00 53.73 C +ATOM 1967 CB ASN B 134 32.774 20.651 26.903 1.00 54.98 C +ATOM 1968 CG ASN B 134 33.136 21.748 27.872 1.00 55.77 C +ATOM 1969 OD1 ASN B 134 34.316 22.006 28.122 1.00 56.44 O +ATOM 1970 ND2 ASN B 134 32.121 22.381 28.454 1.00 54.05 N +ATOM 1971 C ASN B 134 33.529 19.192 25.032 1.00 53.90 C +ATOM 1972 O ASN B 134 34.065 18.132 25.326 1.00 53.24 O +ATOM 1973 N ALA B 135 32.689 19.306 24.009 1.00 54.03 N +ATOM 1974 CA ALA B 135 32.376 18.131 23.214 1.00 54.72 C +ATOM 1975 CB ALA B 135 31.562 18.524 21.980 1.00 55.25 C +ATOM 1976 C ALA B 135 33.683 17.452 22.812 1.00 55.05 C +ATOM 1977 O ALA B 135 33.780 16.219 22.806 1.00 55.24 O +ATOM 1978 N LEU B 136 34.701 18.270 22.539 1.00 55.04 N +ATOM 1979 CA LEU B 136 36.019 17.772 22.126 1.00 55.41 C +ATOM 1980 CB LEU B 136 36.764 18.817 21.310 1.00 54.15 C +ATOM 1981 CG LEU B 136 36.153 19.410 20.041 1.00 54.87 C +ATOM 1982 CD1 LEU B 136 37.285 19.865 19.158 1.00 55.19 C +ATOM 1983 CD2 LEU B 136 35.244 18.444 19.328 1.00 53.30 C +ATOM 1984 C LEU B 136 36.940 17.330 23.267 1.00 55.57 C +ATOM 1985 O LEU B 136 37.686 16.364 23.127 1.00 53.76 O +ATOM 1986 N ALA B 137 36.891 18.026 24.399 1.00 56.68 N +ATOM 1987 CA ALA B 137 37.734 17.670 25.541 1.00 57.58 C +ATOM 1988 CB ALA B 137 37.557 18.675 26.658 1.00 56.76 C +ATOM 1989 C ALA B 137 37.364 16.273 26.032 1.00 59.36 C +ATOM 1990 O ALA B 137 38.179 15.580 26.646 1.00 58.95 O +ATOM 1991 N GLU B 138 36.134 15.864 25.742 1.00 60.70 N +ATOM 1992 CA GLU B 138 35.652 14.553 26.136 1.00 63.13 C +ATOM 1993 CB GLU B 138 34.136 14.603 26.354 1.00 64.68 C +ATOM 1994 CG GLU B 138 33.289 13.877 25.311 1.00 69.02 C +ATOM 1995 CD GLU B 138 31.797 13.950 25.631 1.00 72.64 C +ATOM 1996 OE1 GLU B 138 31.398 14.844 26.413 1.00 74.51 O +ATOM 1997 OE2 GLU B 138 31.021 13.121 25.101 1.00 72.23 O +ATOM 1998 C GLU B 138 36.020 13.493 25.092 1.00 63.56 C +ATOM 1999 O GLU B 138 36.513 12.425 25.446 1.00 64.15 O +ATOM 2000 N LEU B 139 35.786 13.786 23.812 1.00 64.05 N +ATOM 2001 CA LEU B 139 36.115 12.841 22.740 1.00 64.53 C +ATOM 2002 CB LEU B 139 36.160 13.549 21.383 1.00 61.77 C +ATOM 2003 CG LEU B 139 34.865 13.796 20.615 1.00 60.43 C +ATOM 2004 CD1 LEU B 139 35.191 14.486 19.313 1.00 60.33 C +ATOM 2005 CD2 LEU B 139 34.174 12.494 20.326 1.00 59.39 C +ATOM 2006 C LEU B 139 37.476 12.195 23.004 1.00 65.59 C +ATOM 2007 O LEU B 139 37.697 11.013 22.712 1.00 65.73 O +ATOM 2008 N ILE B 140 38.371 12.986 23.581 1.00 66.63 N +ATOM 2009 CA ILE B 140 39.721 12.550 23.899 1.00 68.35 C +ATOM 2010 CB ILE B 140 40.547 13.714 24.487 1.00 67.21 C +ATOM 2011 CG1 ILE B 140 40.868 14.721 23.382 1.00 66.76 C +ATOM 2012 CD1 ILE B 140 41.872 15.771 23.778 1.00 66.28 C +ATOM 2013 CG2 ILE B 140 41.822 13.184 25.127 1.00 66.67 C +ATOM 2014 C ILE B 140 39.844 11.352 24.840 1.00 70.12 C +ATOM 2015 O ILE B 140 40.140 10.258 24.400 1.00 70.83 O +ATOM 2016 N GLN B 141 39.644 11.550 26.138 1.00 71.95 N +ATOM 2017 CA GLN B 141 39.779 10.436 27.078 1.00 73.83 C +ATOM 2018 CB GLN B 141 39.426 10.878 28.487 1.00 74.14 C +ATOM 2019 CG GLN B 141 39.707 12.322 28.753 1.00 74.81 C +ATOM 2020 CD GLN B 141 38.486 13.032 29.285 1.00 76.61 C +ATOM 2021 OE1 GLN B 141 38.589 14.126 29.848 1.00 76.50 O +ATOM 2022 NE2 GLN B 141 37.311 12.419 29.104 1.00 75.50 N +ATOM 2023 C GLN B 141 38.834 9.324 26.668 1.00 74.26 C +ATOM 2024 O GLN B 141 39.067 8.144 26.945 1.00 74.31 O +ATOM 2025 N LEU B 142 37.755 9.734 26.015 1.00 74.61 N +ATOM 2026 CA LEU B 142 36.726 8.838 25.523 1.00 76.38 C +ATOM 2027 CB LEU B 142 35.693 9.680 24.777 1.00 74.43 C +ATOM 2028 CG LEU B 142 34.216 9.343 24.620 1.00 73.89 C +ATOM 2029 CD1 LEU B 142 33.540 10.599 24.103 1.00 73.79 C +ATOM 2030 CD2 LEU B 142 33.992 8.181 23.665 1.00 72.77 C +ATOM 2031 C LEU B 142 37.483 7.900 24.573 1.00 78.49 C +ATOM 2032 O LEU B 142 36.974 6.857 24.137 1.00 79.55 O +ATOM 2033 N LEU B 143 38.719 8.302 24.279 1.00 79.81 N +ATOM 2034 CA LEU B 143 39.638 7.573 23.413 1.00 80.85 C +ATOM 2035 CB LEU B 143 40.300 8.511 22.421 1.00 80.43 C +ATOM 2036 CG LEU B 143 39.795 8.419 21.000 1.00 81.01 C +ATOM 2037 CD1 LEU B 143 40.898 8.946 20.118 1.00 80.79 C +ATOM 2038 CD2 LEU B 143 39.463 6.974 20.629 1.00 83.17 C +ATOM 2039 C LEU B 143 40.746 6.875 24.180 1.00 82.35 C +ATOM 2040 O LEU B 143 41.279 5.873 23.710 1.00 82.74 O +ATOM 2041 N GLY B 144 41.149 7.438 25.319 1.00 83.94 N +ATOM 2042 CA GLY B 144 42.184 6.794 26.108 1.00 84.42 C +ATOM 2043 C GLY B 144 41.475 5.543 26.559 1.00 85.16 C +ATOM 2044 O GLY B 144 42.048 4.459 26.688 1.00 85.01 O +ATOM 2045 N ALA B 145 40.179 5.737 26.771 1.00 85.74 N +ATOM 2046 CA ALA B 145 39.265 4.692 27.168 1.00 86.91 C +ATOM 2047 CB ALA B 145 37.969 5.306 27.657 1.00 86.18 C +ATOM 2048 C ALA B 145 39.014 3.851 25.929 1.00 87.75 C +ATOM 2049 O ALA B 145 38.223 2.907 25.943 1.00 88.35 O +ATOM 2050 N GLY B 146 39.682 4.229 24.850 1.00 88.42 N +ATOM 2051 CA GLY B 146 39.551 3.497 23.618 1.00 89.46 C +ATOM 2052 C GLY B 146 38.178 3.154 23.099 1.00 90.61 C +ATOM 2053 O GLY B 146 38.101 2.521 22.047 1.00 90.80 O +ATOM 2054 N LYS B 147 37.079 3.469 23.768 1.00 91.65 N +ATOM 2055 CA LYS B 147 35.944 3.051 23.000 1.00 93.87 C +ATOM 2056 CB LYS B 147 34.776 2.523 23.801 1.00 95.02 C +ATOM 2057 CG LYS B 147 34.799 1.007 23.462 1.00 96.30 C +ATOM 2058 CD LYS B 147 33.676 0.186 24.020 1.00 96.80 C +ATOM 2059 CE LYS B 147 33.745 0.214 25.495 1.00 97.12 C +ATOM 2060 NZ LYS B 147 32.406 -0.100 26.034 1.00 95.58 N +ATOM 2061 C LYS B 147 35.601 4.023 21.914 1.00 94.80 C +ATOM 2062 O LYS B 147 35.096 5.132 22.063 1.00 95.17 O +ATOM 2063 N ILE B 148 36.135 3.534 20.817 1.00 95.27 N +ATOM 2064 CA ILE B 148 36.159 4.030 19.480 1.00 96.42 C +ATOM 2065 CB ILE B 148 37.047 3.073 18.680 1.00 96.86 C +ATOM 2066 CG1 ILE B 148 37.368 3.662 17.313 1.00 97.28 C +ATOM 2067 CD1 ILE B 148 38.305 4.850 17.378 1.00 97.65 C +ATOM 2068 CG2 ILE B 148 36.370 1.714 18.589 1.00 96.89 C +ATOM 2069 C ILE B 148 34.758 4.005 18.928 1.00 96.74 C +ATOM 2070 O ILE B 148 34.502 4.537 17.854 1.00 96.98 O +ATOM 2071 N ASN B 149 33.844 3.405 19.681 1.00 97.14 N +ATOM 2072 CA ASN B 149 32.460 3.296 19.231 1.00 97.35 C +ATOM 2073 CB ASN B 149 31.831 2.023 19.772 1.00 97.51 C +ATOM 2074 CG ASN B 149 31.975 0.890 18.810 1.00 97.69 C +ATOM 2075 OD1 ASN B 149 31.595 1.017 17.645 1.00 97.44 O +ATOM 2076 ND2 ASN B 149 32.532 -0.223 19.269 1.00 97.74 N +ATOM 2077 C ASN B 149 31.545 4.468 19.506 1.00 96.76 C +ATOM 2078 O ASN B 149 30.898 4.975 18.596 1.00 96.55 O +ATOM 2079 N GLU B 150 31.459 4.884 20.757 1.00 96.04 N +ATOM 2080 CA GLU B 150 30.620 6.022 21.084 1.00 95.57 C +ATOM 2081 CB GLU B 150 30.488 6.149 22.597 1.00 96.63 C +ATOM 2082 CG GLU B 150 31.776 5.815 23.330 1.00 97.08 C +ATOM 2083 CD GLU B 150 31.613 5.806 24.833 1.00 97.46 C +ATOM 2084 OE1 GLU B 150 30.459 5.825 25.311 1.00 97.98 O +ATOM 2085 OE2 GLU B 150 32.640 5.767 25.541 1.00 98.35 O +ATOM 2086 C GLU B 150 31.295 7.258 20.509 1.00 94.50 C +ATOM 2087 O GLU B 150 30.627 8.175 20.030 1.00 94.97 O +ATOM 2088 N PHE B 151 32.627 7.251 20.554 1.00 92.79 N +ATOM 2089 CA PHE B 151 33.458 8.343 20.047 1.00 90.10 C +ATOM 2090 CB PHE B 151 34.900 7.846 19.848 1.00 88.73 C +ATOM 2091 CG PHE B 151 35.853 8.910 19.382 1.00 86.64 C +ATOM 2092 CD1 PHE B 151 36.417 9.800 20.288 1.00 86.21 C +ATOM 2093 CE1 PHE B 151 37.269 10.815 19.851 1.00 85.44 C +ATOM 2094 CZ PHE B 151 37.562 10.945 18.498 1.00 83.11 C +ATOM 2095 CE2 PHE B 151 37.006 10.063 17.586 1.00 83.69 C +ATOM 2096 CD2 PHE B 151 36.157 9.050 18.029 1.00 84.95 C +ATOM 2097 C PHE B 151 32.910 8.878 18.724 1.00 88.89 C +ATOM 2098 O PHE B 151 32.627 10.075 18.593 1.00 88.61 O +ATOM 2099 N PHE B 152 32.754 7.982 17.751 1.00 87.37 N +ATOM 2100 CA PHE B 152 32.250 8.356 16.437 1.00 86.16 C +ATOM 2101 CB PHE B 152 32.411 7.186 15.464 1.00 85.80 C +ATOM 2102 CG PHE B 152 31.988 7.511 14.067 1.00 86.02 C +ATOM 2103 CD1 PHE B 152 32.417 8.687 13.466 1.00 86.19 C +ATOM 2104 CE1 PHE B 152 32.017 9.016 12.176 1.00 86.23 C +ATOM 2105 CZ PHE B 152 31.181 8.162 11.474 1.00 85.42 C +ATOM 2106 CE2 PHE B 152 30.747 6.979 12.065 1.00 85.38 C +ATOM 2107 CD2 PHE B 152 31.152 6.661 13.356 1.00 85.53 C +ATOM 2108 C PHE B 152 30.782 8.774 16.488 1.00 85.28 C +ATOM 2109 O PHE B 152 30.259 9.369 15.546 1.00 85.71 O +ATOM 2110 N ASP B 153 30.135 8.482 17.610 1.00 84.38 N +ATOM 2111 CA ASP B 153 28.719 8.774 17.790 1.00 82.95 C +ATOM 2112 CB ASP B 153 28.067 7.646 18.590 1.00 84.77 C +ATOM 2113 CG ASP B 153 26.845 7.082 17.901 1.00 85.69 C +ATOM 2114 OD1 ASP B 153 25.821 7.797 17.809 1.00 85.75 O +ATOM 2115 OD2 ASP B 153 26.914 5.925 17.441 1.00 85.91 O +ATOM 2116 C ASP B 153 28.324 10.104 18.423 1.00 81.28 C +ATOM 2117 O ASP B 153 27.180 10.529 18.276 1.00 80.37 O +ATOM 2118 N GLN B 154 29.233 10.753 19.143 1.00 79.26 N +ATOM 2119 CA GLN B 154 28.889 12.030 19.771 1.00 76.84 C +ATOM 2120 CB GLN B 154 30.112 12.627 20.471 1.00 76.37 C +ATOM 2121 CG GLN B 154 30.201 14.142 20.399 1.00 76.49 C +ATOM 2122 CD GLN B 154 31.348 14.700 21.218 1.00 77.60 C +ATOM 2123 OE1 GLN B 154 31.817 15.813 20.977 1.00 77.73 O +ATOM 2124 NE2 GLN B 154 31.793 13.936 22.208 1.00 77.73 N +ATOM 2125 C GLN B 154 28.348 13.021 18.747 1.00 75.93 C +ATOM 2126 O GLN B 154 28.838 13.096 17.620 1.00 76.65 O +ATOM 2127 N PRO B 155 27.306 13.778 19.116 1.00 74.60 N +ATOM 2128 CA PRO B 155 26.729 14.760 18.195 1.00 73.52 C +ATOM 2129 CB PRO B 155 25.442 15.164 18.898 1.00 72.87 C +ATOM 2130 CG PRO B 155 25.823 15.065 20.334 1.00 73.57 C +ATOM 2131 CD PRO B 155 26.553 13.749 20.379 1.00 73.52 C +ATOM 2132 C PRO B 155 27.683 15.933 18.018 1.00 72.52 C +ATOM 2133 O PRO B 155 27.312 17.089 18.230 1.00 73.10 O +ATOM 2134 N THR B 156 28.915 15.633 17.633 1.00 70.98 N +ATOM 2135 CA THR B 156 29.903 16.680 17.452 1.00 70.06 C +ATOM 2136 CB THR B 156 31.236 16.112 17.118 1.00 70.79 C +ATOM 2137 OG1 THR B 156 31.692 15.267 18.183 1.00 72.43 O +ATOM 2138 CG2 THR B 156 32.268 17.245 16.801 1.00 70.12 C +ATOM 2139 C THR B 156 29.527 17.547 16.275 1.00 68.21 C +ATOM 2140 O THR B 156 29.452 18.765 16.413 1.00 68.26 O +ATOM 2141 N GLN B 157 29.292 16.929 15.118 1.00 65.21 N +ATOM 2142 CA GLN B 157 28.923 17.708 13.959 1.00 63.37 C +ATOM 2143 CB GLN B 157 28.508 16.794 12.805 1.00 62.19 C +ATOM 2144 CG GLN B 157 28.147 17.549 11.520 1.00 60.42 C +ATOM 2145 CD GLN B 157 29.089 18.711 11.217 1.00 59.34 C +ATOM 2146 OE1 GLN B 157 30.228 18.521 10.785 1.00 56.51 O +ATOM 2147 NE2 GLN B 157 28.611 19.923 11.455 1.00 58.28 N +ATOM 2148 C GLN B 157 27.796 18.666 14.328 1.00 62.95 C +ATOM 2149 O GLN B 157 27.650 19.717 13.708 1.00 64.01 O +ATOM 2150 N GLY B 158 27.023 18.317 15.357 1.00 61.51 N +ATOM 2151 CA GLY B 158 25.930 19.170 15.788 1.00 58.29 C +ATOM 2152 C GLY B 158 26.400 20.347 16.626 1.00 57.46 C +ATOM 2153 O GLY B 158 26.011 21.492 16.388 1.00 55.41 O +ATOM 2154 N TYR B 159 27.247 20.062 17.612 1.00 57.73 N +ATOM 2155 CA TYR B 159 27.779 21.089 18.510 1.00 57.86 C +ATOM 2156 CB TYR B 159 28.679 20.454 19.566 1.00 58.85 C +ATOM 2157 CG TYR B 159 27.982 19.474 20.478 1.00 60.27 C +ATOM 2158 CD1 TYR B 159 26.823 19.833 21.155 1.00 60.48 C +ATOM 2159 CE1 TYR B 159 26.188 18.949 22.014 1.00 62.43 C +ATOM 2160 CZ TYR B 159 26.716 17.685 22.205 1.00 63.44 C +ATOM 2161 OH TYR B 159 26.079 16.817 23.063 1.00 62.49 O +ATOM 2162 CE2 TYR B 159 27.876 17.299 21.537 1.00 62.78 C +ATOM 2163 CD2 TYR B 159 28.499 18.195 20.682 1.00 61.33 C +ATOM 2164 C TYR B 159 28.591 22.157 17.782 1.00 57.82 C +ATOM 2165 O TYR B 159 28.670 23.309 18.236 1.00 57.29 O +ATOM 2166 N GLN B 160 29.194 21.761 16.660 1.00 56.08 N +ATOM 2167 CA GLN B 160 30.028 22.649 15.866 1.00 53.59 C +ATOM 2168 CB GLN B 160 30.843 21.840 14.866 1.00 52.77 C +ATOM 2169 CG GLN B 160 31.816 22.680 14.048 1.00 49.33 C +ATOM 2170 CD GLN B 160 32.721 21.829 13.191 1.00 46.65 C +ATOM 2171 OE1 GLN B 160 33.535 21.069 13.704 1.00 46.05 O +ATOM 2172 NE2 GLN B 160 32.576 21.945 11.877 1.00 44.30 N +ATOM 2173 C GLN B 160 29.259 23.745 15.147 1.00 53.77 C +ATOM 2174 O GLN B 160 29.518 24.923 15.372 1.00 53.47 O +ATOM 2175 N ASP B 161 28.333 23.389 14.266 1.00 54.16 N +ATOM 2176 CA ASP B 161 27.566 24.441 13.600 1.00 55.07 C +ATOM 2177 CB ASP B 161 26.623 23.862 12.567 1.00 56.66 C +ATOM 2178 CG ASP B 161 26.732 22.379 12.486 1.00 58.89 C +ATOM 2179 OD1 ASP B 161 26.552 21.747 13.548 1.00 62.30 O +ATOM 2180 OD2 ASP B 161 27.001 21.859 11.381 1.00 58.31 O +ATOM 2181 C ASP B 161 26.786 25.135 14.690 1.00 53.86 C +ATOM 2182 O ASP B 161 26.281 26.233 14.500 1.00 52.57 O +ATOM 2183 N GLY B 162 26.684 24.479 15.840 1.00 53.82 N +ATOM 2184 CA GLY B 162 26.007 25.111 16.947 1.00 53.77 C +ATOM 2185 C GLY B 162 26.864 26.339 17.160 1.00 55.18 C +ATOM 2186 O GLY B 162 26.372 27.470 17.163 1.00 56.56 O +ATOM 2187 N PHE B 163 28.167 26.104 17.294 1.00 54.35 N +ATOM 2188 CA PHE B 163 29.126 27.181 17.478 1.00 53.36 C +ATOM 2189 CB PHE B 163 30.514 26.627 17.837 1.00 52.23 C +ATOM 2190 CG PHE B 163 31.574 27.691 17.950 1.00 48.89 C +ATOM 2191 CD1 PHE B 163 31.716 28.410 19.121 1.00 49.08 C +ATOM 2192 CE1 PHE B 163 32.674 29.402 19.229 1.00 48.28 C +ATOM 2193 CZ PHE B 163 33.503 29.685 18.161 1.00 44.98 C +ATOM 2194 CE2 PHE B 163 33.375 28.985 16.993 1.00 45.35 C +ATOM 2195 CD2 PHE B 163 32.414 27.990 16.884 1.00 48.38 C +ATOM 2196 C PHE B 163 29.261 28.041 16.223 1.00 52.99 C +ATOM 2197 O PHE B 163 29.083 29.261 16.273 1.00 52.11 O +ATOM 2198 N GLU B 164 29.598 27.402 15.105 1.00 52.88 N +ATOM 2199 CA GLU B 164 29.783 28.115 13.845 1.00 54.01 C +ATOM 2200 CB GLU B 164 29.995 27.125 12.693 1.00 53.58 C +ATOM 2201 CG GLU B 164 29.861 27.749 11.308 1.00 52.39 C +ATOM 2202 CD GLU B 164 30.197 26.796 10.179 1.00 55.44 C +ATOM 2203 OE1 GLU B 164 30.058 25.565 10.354 1.00 56.97 O +ATOM 2204 OE2 GLU B 164 30.591 27.285 9.099 1.00 58.60 O +ATOM 2205 C GLU B 164 28.603 29.020 13.522 1.00 54.37 C +ATOM 2206 O GLU B 164 28.696 29.923 12.703 1.00 55.31 O +ATOM 2207 N LYS B 165 27.485 28.792 14.180 1.00 54.85 N +ATOM 2208 CA LYS B 165 26.310 29.594 13.909 1.00 53.96 C +ATOM 2209 CB LYS B 165 25.089 28.782 14.299 1.00 55.52 C +ATOM 2210 CG LYS B 165 23.805 29.372 13.889 1.00 57.84 C +ATOM 2211 CD LYS B 165 22.819 29.180 15.014 1.00 60.70 C +ATOM 2212 CE LYS B 165 21.576 29.971 14.732 1.00 61.92 C +ATOM 2213 NZ LYS B 165 21.938 31.319 14.178 1.00 60.80 N +ATOM 2214 C LYS B 165 26.311 30.966 14.598 1.00 52.72 C +ATOM 2215 O LYS B 165 25.806 31.932 14.045 1.00 51.34 O +ATOM 2216 N GLN B 166 26.869 31.053 15.802 1.00 53.06 N +ATOM 2217 CA GLN B 166 26.931 32.335 16.513 1.00 54.15 C +ATOM 2218 CB GLN B 166 27.016 32.129 18.026 1.00 56.35 C +ATOM 2219 CG GLN B 166 25.990 31.145 18.626 1.00 60.93 C +ATOM 2220 CD GLN B 166 24.556 31.653 18.619 1.00 60.89 C +ATOM 2221 OE1 GLN B 166 23.726 31.200 17.827 1.00 62.30 O +ATOM 2222 NE2 GLN B 166 24.260 32.602 19.501 1.00 62.39 N +ATOM 2223 C GLN B 166 28.187 33.056 16.054 1.00 53.44 C +ATOM 2224 O GLN B 166 28.175 34.260 15.795 1.00 53.47 O +ATOM 2225 N TYR B 167 29.277 32.304 15.970 1.00 52.38 N +ATOM 2226 CA TYR B 167 30.540 32.853 15.522 1.00 52.65 C +ATOM 2227 CB TYR B 167 31.502 31.698 15.195 1.00 51.82 C +ATOM 2228 CG TYR B 167 32.638 32.081 14.297 1.00 52.51 C +ATOM 2229 CD1 TYR B 167 33.502 33.121 14.635 1.00 52.94 C +ATOM 2230 CE1 TYR B 167 34.568 33.473 13.810 1.00 52.44 C +ATOM 2231 CZ TYR B 167 34.780 32.781 12.634 1.00 53.74 C +ATOM 2232 OH TYR B 167 35.870 33.094 11.834 1.00 53.98 O +ATOM 2233 CE2 TYR B 167 33.923 31.747 12.277 1.00 54.83 C +ATOM 2234 CD2 TYR B 167 32.862 31.401 13.109 1.00 52.24 C +ATOM 2235 C TYR B 167 30.256 33.713 14.284 1.00 52.51 C +ATOM 2236 O TYR B 167 30.739 34.838 14.151 1.00 52.24 O +ATOM 2237 N VAL B 168 29.426 33.192 13.398 1.00 52.49 N +ATOM 2238 CA VAL B 168 29.093 33.914 12.190 1.00 53.49 C +ATOM 2239 CB VAL B 168 28.440 32.987 11.183 1.00 54.28 C +ATOM 2240 CG1 VAL B 168 28.123 33.746 9.921 1.00 53.09 C +ATOM 2241 CG2 VAL B 168 29.377 31.840 10.879 1.00 56.25 C +ATOM 2242 C VAL B 168 28.194 35.133 12.383 1.00 54.07 C +ATOM 2243 O VAL B 168 28.286 36.091 11.614 1.00 56.37 O +ATOM 2244 N ALA B 169 27.314 35.100 13.378 1.00 52.47 N +ATOM 2245 CA ALA B 169 26.440 36.236 13.618 1.00 52.63 C +ATOM 2246 CB ALA B 169 25.256 35.819 14.439 1.00 52.72 C +ATOM 2247 C ALA B 169 27.220 37.307 14.352 1.00 53.95 C +ATOM 2248 O ALA B 169 27.011 38.505 14.146 1.00 55.19 O +ATOM 2249 N TYR B 170 28.116 36.877 15.231 1.00 54.98 N +ATOM 2250 CA TYR B 170 28.917 37.831 15.968 1.00 56.17 C +ATOM 2251 CB TYR B 170 29.847 37.104 16.934 1.00 56.17 C +ATOM 2252 CG TYR B 170 30.631 38.021 17.848 1.00 57.16 C +ATOM 2253 CD1 TYR B 170 30.039 38.597 18.973 1.00 57.22 C +ATOM 2254 CE1 TYR B 170 30.753 39.455 19.805 1.00 57.71 C +ATOM 2255 CZ TYR B 170 32.075 39.744 19.512 1.00 58.87 C +ATOM 2256 OH TYR B 170 32.806 40.584 20.322 1.00 62.86 O +ATOM 2257 CE2 TYR B 170 32.683 39.187 18.405 1.00 58.59 C +ATOM 2258 CD2 TYR B 170 31.961 38.329 17.579 1.00 57.01 C +ATOM 2259 C TYR B 170 29.712 38.583 14.903 1.00 58.28 C +ATOM 2260 O TYR B 170 29.812 39.812 14.946 1.00 58.61 O +ATOM 2261 N MET B 171 30.251 37.837 13.936 1.00 59.15 N +ATOM 2262 CA MET B 171 31.019 38.421 12.832 1.00 60.44 C +ATOM 2263 CB MET B 171 31.434 37.344 11.835 1.00 60.10 C +ATOM 2264 CG MET B 171 32.340 36.276 12.379 1.00 59.58 C +ATOM 2265 SD MET B 171 34.050 36.726 12.265 1.00 60.43 S +ATOM 2266 CE MET B 171 34.463 36.979 14.006 1.00 57.19 C +ATOM 2267 C MET B 171 30.133 39.407 12.094 1.00 61.47 C +ATOM 2268 O MET B 171 30.511 40.555 11.841 1.00 61.69 O +ATOM 2269 N GLU B 172 28.950 38.932 11.733 1.00 62.79 N +ATOM 2270 CA GLU B 172 27.997 39.748 11.015 1.00 65.14 C +ATOM 2271 CB GLU B 172 26.689 38.991 10.867 1.00 67.19 C +ATOM 2272 CG GLU B 172 26.059 39.162 9.512 1.00 71.24 C +ATOM 2273 CD GLU B 172 24.648 38.641 9.482 1.00 72.37 C +ATOM 2274 OE1 GLU B 172 24.394 37.535 10.006 1.00 71.83 O +ATOM 2275 OE2 GLU B 172 23.788 39.345 8.930 1.00 73.81 O +ATOM 2276 C GLU B 172 27.750 41.051 11.758 1.00 65.25 C +ATOM 2277 O GLU B 172 28.026 42.132 11.237 1.00 65.67 O +ATOM 2278 N GLN B 173 27.228 40.926 12.979 1.00 65.01 N +ATOM 2279 CA GLN B 173 26.921 42.062 13.840 1.00 64.33 C +ATOM 2280 CB GLN B 173 26.503 41.576 15.225 1.00 65.51 C +ATOM 2281 CG GLN B 173 26.694 42.634 16.314 1.00 67.35 C +ATOM 2282 CD GLN B 173 27.374 42.083 17.572 1.00 69.26 C +ATOM 2283 OE1 GLN B 173 26.716 41.563 18.482 1.00 66.82 O +ATOM 2284 NE2 GLN B 173 28.705 42.188 17.617 1.00 69.00 N +ATOM 2285 C GLN B 173 28.099 43.006 13.999 1.00 63.61 C +ATOM 2286 O GLN B 173 27.930 44.221 13.984 1.00 62.96 O +ATOM 2287 N ASN B 174 29.291 42.450 14.179 1.00 63.43 N +ATOM 2288 CA ASN B 174 30.468 43.290 14.342 1.00 64.41 C +ATOM 2289 CB ASN B 174 31.673 42.469 14.800 1.00 64.68 C +ATOM 2290 CG ASN B 174 31.950 42.632 16.278 1.00 64.94 C +ATOM 2291 OD1 ASN B 174 31.113 43.158 17.024 1.00 65.07 O +ATOM 2292 ND2 ASN B 174 33.118 42.175 16.716 1.00 63.11 N +ATOM 2293 C ASN B 174 30.815 44.039 13.073 1.00 64.68 C +ATOM 2294 O ASN B 174 31.050 45.245 13.114 1.00 63.21 O +ATOM 2295 N ASP B 175 30.860 43.336 11.945 1.00 66.22 N +ATOM 2296 CA ASP B 175 31.175 44.011 10.693 1.00 67.04 C +ATOM 2297 CB ASP B 175 30.991 43.086 9.498 1.00 68.60 C +ATOM 2298 CG ASP B 175 32.131 42.115 9.343 1.00 69.68 C +ATOM 2299 OD1 ASP B 175 33.273 42.484 9.706 1.00 69.35 O +ATOM 2300 OD2 ASP B 175 31.880 40.996 8.843 1.00 69.91 O +ATOM 2301 C ASP B 175 30.228 45.174 10.561 1.00 66.49 C +ATOM 2302 O ASP B 175 30.644 46.322 10.407 1.00 65.53 O +ATOM 2303 N ARG B 176 28.945 44.851 10.641 1.00 66.96 N +ATOM 2304 CA ARG B 176 27.882 45.834 10.550 1.00 68.58 C +ATOM 2305 CB ARG B 176 26.543 45.132 10.776 1.00 70.92 C +ATOM 2306 CG ARG B 176 25.431 46.013 11.330 1.00 76.21 C +ATOM 2307 CD ARG B 176 24.334 46.229 10.306 1.00 78.45 C +ATOM 2308 NE ARG B 176 23.041 46.400 10.953 1.00 81.28 N +ATOM 2309 CZ ARG B 176 21.891 46.440 10.293 1.00 83.12 C +ATOM 2310 NH1 ARG B 176 21.898 46.321 8.976 1.00 83.67 N +ATOM 2311 NH2 ARG B 176 20.743 46.587 10.946 1.00 82.92 N +ATOM 2312 C ARG B 176 28.079 46.961 11.566 1.00 68.47 C +ATOM 2313 O ARG B 176 27.640 48.092 11.340 1.00 68.06 O +ATOM 2314 N LEU B 177 28.743 46.653 12.679 1.00 67.70 N +ATOM 2315 CA LEU B 177 28.980 47.644 13.722 1.00 66.77 C +ATOM 2316 CB LEU B 177 29.259 46.960 15.061 1.00 65.30 C +ATOM 2317 CG LEU B 177 29.099 47.719 16.391 1.00 64.17 C +ATOM 2318 CD1 LEU B 177 30.268 47.370 17.294 1.00 64.49 C +ATOM 2319 CD2 LEU B 177 29.052 49.212 16.185 1.00 64.35 C +ATOM 2320 C LEU B 177 30.182 48.485 13.329 1.00 67.66 C +ATOM 2321 O LEU B 177 30.388 49.590 13.835 1.00 68.10 O +ATOM 2322 N HIS B 178 30.969 47.957 12.403 1.00 68.59 N +ATOM 2323 CA HIS B 178 32.173 48.629 11.944 1.00 68.15 C +ATOM 2324 CB HIS B 178 33.157 47.563 11.454 1.00 66.96 C +ATOM 2325 CG HIS B 178 34.201 48.067 10.507 1.00 66.49 C +ATOM 2326 ND1 HIS B 178 35.547 47.984 10.785 1.00 66.00 N +ATOM 2327 CE1 HIS B 178 36.234 48.432 9.749 1.00 64.27 C +ATOM 2328 NE2 HIS B 178 35.382 48.804 8.813 1.00 63.84 N +ATOM 2329 CD2 HIS B 178 34.102 48.589 9.263 1.00 64.59 C +ATOM 2330 C HIS B 178 31.867 49.661 10.869 1.00 68.79 C +ATOM 2331 O HIS B 178 32.431 50.752 10.883 1.00 68.83 O +ATOM 2332 N ASP B 179 30.987 49.326 9.929 1.00 70.08 N +ATOM 2333 CA ASP B 179 30.655 50.293 8.889 1.00 71.98 C +ATOM 2334 CB ASP B 179 29.641 49.711 7.894 1.00 71.05 C +ATOM 2335 CG ASP B 179 30.048 48.338 7.378 1.00 72.10 C +ATOM 2336 OD1 ASP B 179 31.269 48.049 7.318 1.00 72.02 O +ATOM 2337 OD2 ASP B 179 29.143 47.549 7.024 1.00 71.28 O +ATOM 2338 C ASP B 179 30.050 51.468 9.650 1.00 73.30 C +ATOM 2339 O ASP B 179 30.571 52.587 9.617 1.00 73.50 O +ATOM 2340 N ILE B 180 28.961 51.183 10.358 1.00 74.26 N +ATOM 2341 CA ILE B 180 28.275 52.180 11.161 1.00 75.67 C +ATOM 2342 CB ILE B 180 27.287 51.500 12.150 1.00 75.39 C +ATOM 2343 CG1 ILE B 180 26.716 52.511 13.153 1.00 74.36 C +ATOM 2344 CD1 ILE B 180 27.708 53.064 14.182 1.00 75.08 C +ATOM 2345 CG2 ILE B 180 27.978 50.391 12.863 1.00 75.44 C +ATOM 2346 C ILE B 180 29.325 52.953 11.943 1.00 77.34 C +ATOM 2347 O ILE B 180 29.336 54.185 11.941 1.00 77.96 O +ATOM 2348 N ALA B 181 30.196 52.218 12.624 1.00 78.79 N +ATOM 2349 CA ALA B 181 31.251 52.827 13.414 1.00 80.63 C +ATOM 2350 CB ALA B 181 32.193 51.759 13.942 1.00 81.12 C +ATOM 2351 C ALA B 181 32.033 53.826 12.577 1.00 82.01 C +ATOM 2352 O ALA B 181 32.070 55.009 12.889 1.00 83.39 O +ATOM 2353 N VAL B 182 32.657 53.350 11.507 1.00 83.44 N +ATOM 2354 CA VAL B 182 33.458 54.223 10.656 1.00 85.19 C +ATOM 2355 CB VAL B 182 34.162 53.435 9.513 1.00 84.63 C +ATOM 2356 CG1 VAL B 182 33.812 54.015 8.141 1.00 83.40 C +ATOM 2357 CG2 VAL B 182 35.658 53.496 9.705 1.00 84.47 C +ATOM 2358 C VAL B 182 32.696 55.365 10.028 1.00 87.09 C +ATOM 2359 O VAL B 182 33.311 56.289 9.493 1.00 87.44 O +ATOM 2360 N SER B 183 31.373 55.323 10.079 1.00 89.05 N +ATOM 2361 CA SER B 183 30.628 56.399 9.466 1.00 91.68 C +ATOM 2362 CB SER B 183 29.290 55.866 9.012 1.00 91.33 C +ATOM 2363 OG SER B 183 29.463 55.029 7.877 1.00 92.05 O +ATOM 2364 C SER B 183 30.495 57.674 10.308 1.00 93.83 C +ATOM 2365 O SER B 183 30.487 58.771 9.754 1.00 94.67 O +ATOM 2366 N ASP B 184 30.507 57.542 11.633 1.00 96.00 N +ATOM 2367 CA ASP B 184 30.430 58.718 12.504 1.00 98.07 C +ATOM 2368 CB ASP B 184 30.214 58.298 13.954 1.00 97.32 C +ATOM 2369 CG ASP B 184 28.925 57.561 14.153 1.00 97.06 C +ATOM 2370 OD1 ASP B 184 28.188 57.386 13.161 1.00 96.49 O +ATOM 2371 OD2 ASP B 184 28.647 57.161 15.303 1.00 97.66 O +ATOM 2372 C ASP B 184 31.691 59.607 12.439 1.00 99.91 C +ATOM 2373 O ASP B 184 31.582 60.831 12.320 1.00 99.54 O +ATOM 2374 N ASN B 185 32.881 59.010 12.539 1.00102.20 N +ATOM 2375 CA ASN B 185 34.113 59.815 12.492 1.00104.94 C +ATOM 2376 CB ASN B 185 35.351 59.027 12.903 1.00106.10 C +ATOM 2377 CG ASN B 185 36.299 59.851 13.766 1.00107.47 C +ATOM 2378 OD1 ASN B 185 36.160 59.883 14.990 1.00107.92 O +ATOM 2379 ND2 ASN B 185 37.249 60.542 13.130 1.00107.57 N +ATOM 2380 C ASN B 185 34.385 60.347 11.108 1.00105.68 C +ATOM 2381 O ASN B 185 35.091 61.342 10.943 1.00104.91 O +ATOM 2382 N ASN B 186 33.886 59.630 10.112 1.00107.26 N +ATOM 2383 CA ASN B 186 34.052 60.056 8.739 1.00109.17 C +ATOM 2384 CB ASN B 186 33.802 58.885 7.787 1.00109.36 C +ATOM 2385 CG ASN B 186 35.099 58.231 7.301 1.00109.45 C +ATOM 2386 OD1 ASN B 186 35.937 57.797 8.096 1.00109.18 O +ATOM 2387 ND2 ASN B 186 35.264 58.163 5.984 1.00109.56 N +ATOM 2388 C ASN B 186 32.978 61.120 8.590 1.00110.23 C +ATOM 2389 O ASN B 186 33.069 62.015 7.743 1.00110.72 O +ATOM 2390 N ALA B 187 31.973 61.019 9.461 1.00110.93 N +ATOM 2391 CA ALA B 187 30.851 61.951 9.487 1.00111.25 C +ATOM 2392 CB ALA B 187 29.705 61.375 10.315 1.00111.10 C +ATOM 2393 C ALA B 187 31.298 63.283 10.071 1.00111.42 C +ATOM 2394 O ALA B 187 30.865 64.344 9.618 1.00111.39 O +ATOM 2395 N SER B 188 32.149 63.224 11.090 1.00111.73 N +ATOM 2396 CA SER B 188 32.648 64.443 11.698 1.00112.04 C +ATOM 2397 CB SER B 188 33.343 64.133 13.029 1.00111.79 C +ATOM 2398 OG SER B 188 32.477 63.435 13.908 1.00111.41 O +ATOM 2399 C SER B 188 33.631 65.047 10.699 1.00112.39 C +ATOM 2400 O SER B 188 33.425 66.212 10.299 1.00112.64 O +TER 2401 SER B 188 +ATOM 2402 N SER A 201 46.824 12.032 5.867 1.00 50.82 N +ATOM 2403 CA SER A 201 45.400 12.398 6.092 1.00 50.77 C +ATOM 2404 CB SER A 201 44.679 11.237 6.783 1.00 50.75 C +ATOM 2405 OG SER A 201 43.273 11.387 6.720 1.00 50.38 O +ATOM 2406 C SER A 201 45.342 13.655 6.969 1.00 50.89 C +ATOM 2407 O SER A 201 44.294 14.336 6.989 1.00 50.00 O +ATOM 2408 OXT SER A 201 46.364 13.946 7.626 1.00 52.85 O +ATOM 2409 N SER B 201 31.425 12.268 16.158 1.00 72.92 N +ATOM 2410 CA SER B 201 32.854 12.679 16.065 1.00 72.48 C +ATOM 2411 CB SER B 201 33.622 11.831 15.083 1.00 71.93 C +ATOM 2412 OG SER B 201 34.793 11.329 15.681 1.00 69.16 O +ATOM 2413 C SER B 201 32.891 14.091 15.576 1.00 72.92 C +ATOM 2414 O SER B 201 33.328 14.456 14.474 1.00 73.35 O +ATOM 2415 OXT SER B 201 32.604 14.861 16.427 1.00 73.18 O +HETATM 2416 O HOH A 301 34.926 17.431 -4.975 1.00 61.88 O +HETATM 2417 O HOH A 302 55.667 26.927 0.940 1.00 50.13 O +HETATM 2418 O HOH A 303 56.020 31.495 -5.293 1.00 43.41 O +HETATM 2419 O HOH A 304 45.834 39.065 -3.498 1.00 49.28 O +HETATM 2420 O HOH A 305 41.402 44.240 8.389 1.00 59.38 O +HETATM 2421 O HOH A 306 53.987 20.807 9.599 1.00 38.03 O +HETATM 2422 O HOH A 307 33.404 -8.040 7.505 1.00 72.20 O +HETATM 2423 O HOH A 308 51.693 23.193 0.716 1.00 45.02 O +HETATM 2424 O HOH A 309 55.461 21.030 -0.756 1.00 64.57 O +HETATM 2425 O HOH A 310 53.836 22.179 1.744 1.00 51.85 O +HETATM 2426 O HOH A 311 27.004 15.097 9.212 1.00 79.94 O +HETATM 2427 O HOH A 312 49.135 13.506 7.032 1.00 55.43 O +HETATM 2428 O HOH A 313 32.959 40.044 5.018 1.00 76.14 O +HETATM 2429 O HOH A 314 39.842 59.975 9.992 1.00 72.90 O +HETATM 2430 O HOH A 315 35.162 38.270 -5.659 1.00 42.62 O +HETATM 2431 O HOH A 316 43.205 45.790 10.209 1.00 68.11 O +HETATM 2432 O HOH A 317 29.768 20.470 2.964 1.00 80.80 O +HETATM 2433 O HOH A 318 49.165 25.775 -7.945 1.00 63.37 O +HETATM 2434 O HOH A 319 48.817 63.046 1.323 1.00 61.52 O +HETATM 2435 O HOH A 320 40.805 61.452 -1.175 1.00 87.69 O +HETATM 2436 O HOH A 321 53.564 49.419 8.788 1.00 62.69 O +HETATM 2437 O HOH A 322 33.351 9.926 -5.074 1.00 58.81 O +HETATM 2438 O HOH A 323 23.558 11.845 8.885 1.00 57.27 O +HETATM 2439 O HOH A 324 48.666 10.235 8.768 1.00 69.97 O +HETATM 2440 O HOH A 325 53.535 34.979 10.435 1.00 45.16 O +HETATM 2441 O HOH A 326 44.009 53.665 -0.658 1.00 63.84 O +HETATM 2442 O HOH A 327 39.738 57.024 -3.283 1.00 62.85 O +HETATM 2443 O HOH A 328 49.736 44.006 -8.360 1.00 59.22 O +HETATM 2444 O HOH A 330 40.408 59.547 0.914 1.00 71.49 O +HETATM 2445 O HOH A 331 32.234 26.239 -7.241 1.00 89.54 O +HETATM 2446 O HOH A 332 53.952 45.364 -4.389 1.00 98.01 O +HETATM 2447 O HOH A 333 57.189 21.536 -3.662 1.00 60.97 O +HETATM 2448 O HOH A 334 56.683 21.305 5.190 1.00 57.86 O +HETATM 2449 O HOH B 301 39.045 28.892 27.804 1.00 63.58 O +HETATM 2450 O HOH B 302 37.442 50.159 25.675 1.00 50.97 O +HETATM 2451 O HOH B 303 33.847 30.515 8.431 1.00 49.02 O +HETATM 2452 O HOH B 304 35.810 40.231 23.843 1.00 51.91 O +HETATM 2453 O HOH B 305 29.593 23.042 28.891 1.00 73.72 O +HETATM 2454 O HOH B 306 54.851 11.856 13.145 1.00 59.33 O +HETATM 2455 O HOH B 307 33.765 19.629 9.879 1.00 53.52 O +HETATM 2456 O HOH B 308 31.493 34.713 8.515 1.00 53.85 O +HETATM 2457 O HOH B 309 38.212 -1.090 22.372 1.00 90.18 O +HETATM 2458 O HOH B 310 24.303 34.562 10.573 1.00 45.44 O +HETATM 2459 O HOH B 311 38.603 50.196 8.046 1.00 60.88 O +HETATM 2460 O HOH B 312 23.890 21.463 22.371 1.00 53.28 O +HETATM 2461 O HOH B 313 39.866 -8.560 14.105 1.00 64.96 O +HETATM 2462 O HOH B 314 36.091 44.962 8.957 1.00 57.76 O +HETATM 2463 O HOH B 315 21.993 26.092 16.363 1.00 51.97 O +HETATM 2464 O HOH B 316 47.012 -5.459 14.182 1.00 88.21 O +HETATM 2465 O HOH B 317 29.267 15.276 28.867 1.00 55.03 O +HETATM 2466 O HOH B 318 30.064 16.712 26.952 1.00 77.78 O +HETATM 2467 O HOH B 319 23.959 42.790 12.191 1.00 78.71 O +HETATM 2468 O HOH B 320 31.128 -2.009 22.871 1.00 71.47 O +HETATM 2469 O HOH B 321 36.642 38.375 9.180 1.00 56.69 O +HETATM 2470 O HOH B 322 35.718 -1.099 18.233 1.00 69.47 O +HETATM 2471 O HOH B 323 34.688 -0.670 20.469 1.00 91.75 O +HETATM 2472 O HOH B 324 39.115 57.455 14.633 1.00 65.33 O +HETATM 2473 O HOH B 325 37.169 60.892 16.791 1.00 69.16 O +HETATM 2474 O HOH B 329 44.165 19.061 11.794 1.00 48.37 O +END diff --git a/tests/test_data/3atp_final.mtz b/tests/test_data/3atp_final.mtz new file mode 100644 index 0000000..437d448 Binary files /dev/null and b/tests/test_data/3atp_final.mtz differ diff --git a/tests/test_data/3atp_final.pdb b/tests/test_data/3atp_final.pdb new file mode 100644 index 0000000..b27a4bd --- /dev/null +++ b/tests/test_data/3atp_final.pdb @@ -0,0 +1,2626 @@ +HEADER SIGNALING PROTEIN 07-JAN-11 XXXX +COMPND CHEMORECEPTOR TSR WITH LIGAND +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0158 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, +REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 66.87 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE +REMARK 3 COMPLETENESS FOR RANGE (%) : 97.15 +REMARK 3 NUMBER OF REFLECTIONS : 8824 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.20603 +REMARK 3 R VALUE (WORKING SET) : 0.20082 +REMARK 3 FREE R VALUE : 0.25103 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.0 +REMARK 3 FREE R VALUE TEST SET COUNT : 981 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH : 2.500 +REMARK 3 BIN RESOLUTION RANGE LOW : 2.565 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 644 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.86 +REMARK 3 BIN R VALUE (WORKING SET) : 0.325 +REMARK 3 BIN FREE R VALUE SET COUNT : 70 +REMARK 3 BIN FREE R VALUE : 0.371 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 ALL ATOMS : 2437 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.675 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -2.57 +REMARK 3 B22 (A**2) : 5.67 +REMARK 3 B33 (A**2) : -3.10 +REMARK 3 B12 (A**2) : 0.00 +REMARK 3 B13 (A**2) : 0.00 +REMARK 3 B23 (A**2) : -0.00 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.345 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.301 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 30.652 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.970 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.931 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2450 ; 0.010 ; 0.019 +REMARK 3 BOND LENGTHS OTHERS (A): 2150 ; 0.002 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3314 ; 1.323 ; 1.933 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 4999 ; 1.211 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 300 ; 6.132 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 138 ;40.046 ;25.435 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 417 ;18.138 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;22.726 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 358 ; 0.112 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2798 ; 0.004 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 490 ; 0.001 ; 0.020 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1212 ; 2.934 ; 4.272 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1211 ; 2.932 ; 4.271 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1508 ; 4.704 ; 6.390 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 1509 ; 4.703 ; 6.390 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1238 ; 3.686 ; 4.689 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 1237 ; 3.684 ; 4.689 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 1807 ; 5.801 ; 6.874 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 2939 ; 8.262 ;52.554 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 2939 ; 8.263 ;52.547 +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NCS TYPE: LOCAL +REMARK 3 NUMBER OF DIFFERENT NCS PAIRS : 1 +REMARK 3 GROUP CHAIN1 RANGE CHAIN2 RANGE COUNT RMS WEIGHT +REMARK 3 1 A 39 187 B 39 187 9680 0.12 0.05 +REMARK 3 +REMARK 3 TWIN DETAILS +REMARK 3 NUMBER OF TWIN DOMAINS : NULL +REMARK 3 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 2 +REMARK 3 ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 39 A 201 +REMARK 3 ORIGIN FOR THE GROUP (A): 41.7610 26.6790 2.4770 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0215 T22: 0.4520 +REMARK 3 T33: 0.0163 T12: -0.0295 +REMARK 3 T13: -0.0162 T23: -0.0088 +REMARK 3 L TENSOR +REMARK 3 L11: 3.6352 L22: 5.4149 +REMARK 3 L33: 3.3016 L12: 0.8304 +REMARK 3 L13: -0.5739 L23: -1.2980 +REMARK 3 S TENSOR +REMARK 3 S11: -0.0330 S12: 0.2433 S13: -0.0562 +REMARK 3 S21: -0.1992 S22: 0.1691 S23: 0.1056 +REMARK 3 S31: 0.1705 S32: -0.2568 S33: -0.1361 +REMARK 3 +REMARK 3 TLS GROUP : 2 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : B 38 B 201 +REMARK 3 ORIGIN FOR THE GROUP (A): 36.4470 27.0560 18.2600 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0331 T22: 0.3229 +REMARK 3 T33: 0.0470 T12: -0.0831 +REMARK 3 T13: 0.0001 T23: 0.0668 +REMARK 3 L TENSOR +REMARK 3 L11: 4.5591 L22: 6.7515 +REMARK 3 L33: 3.6699 L12: -2.7831 +REMARK 3 L13: -0.9156 L23: 2.0973 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1033 S12: -0.0594 S13: -0.3468 +REMARK 3 S21: 0.2543 S22: 0.0758 S23: 0.4181 +REMARK 3 S31: 0.1222 S32: -0.2847 S33: 0.0275 +REMARK 3 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.00 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS +REMARK 3 U VALUES : RESIDUAL ONLY +REMARK 3 +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 31.95 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.81 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 12-14% PEG 1000, 0.1M ACETATE BUFFER, +REMARK 280 80-100MM AMMONIUM ACETATE , PH 5.0, VAPOR DIFFUSION, SITTING +REMARK 280 DROP, TEMPERATURE 293K +SEQRES 1 A 170 GLY PRO LEU GLY SER GLY GLY LEU PHE PHE ASN ALA LEU +SEQRES 2 A 170 LYS ASN ASP LYS GLU ASN PHE THR VAL LEU GLN THR ILE +SEQRES 3 A 170 ARG GLN GLN GLN SER THR LEU ASN GLY SER TRP VAL ALA +SEQRES 4 A 170 LEU LEU GLN THR ARG ASN THR LEU ASN ARG ALA GLY ILE +SEQRES 5 A 170 ARG TYR MET MET ASP GLN ASN ASN ILE GLY SER GLY SER +SEQRES 6 A 170 THR VAL ALA GLU LEU MET GLU SER ALA SER ILE SER LEU +SEQRES 7 A 170 LYS GLN ALA GLU LYS ASN TRP ALA ASP TYR GLU ALA LEU +SEQRES 8 A 170 PRO ARG ASP PRO ARG GLN SER THR ALA ALA ALA ALA GLU +SEQRES 9 A 170 ILE LYS ARG ASN TYR ASP ILE TYR HIS ASN ALA LEU ALA +SEQRES 10 A 170 GLU LEU ILE GLN LEU LEU GLY ALA GLY LYS ILE ASN GLU +SEQRES 11 A 170 PHE PHE ASP GLN PRO THR GLN GLY TYR GLN ASP GLY PHE +SEQRES 12 A 170 GLU LYS GLN TYR VAL ALA TYR MET GLU GLN ASN ASP ARG +SEQRES 13 A 170 LEU HIS ASP ILE ALA VAL SER ASP ASN ASN ALA SER TYR +SEQRES 14 A 170 SER +SEQRES 1 B 170 GLY PRO LEU GLY SER GLY GLY LEU PHE PHE ASN ALA LEU +SEQRES 2 B 170 LYS ASN ASP LYS GLU ASN PHE THR VAL LEU GLN THR ILE +SEQRES 3 B 170 ARG GLN GLN GLN SER THR LEU ASN GLY SER TRP VAL ALA +SEQRES 4 B 170 LEU LEU GLN THR ARG ASN THR LEU ASN ARG ALA GLY ILE +SEQRES 5 B 170 ARG TYR MET MET ASP GLN ASN ASN ILE GLY SER GLY SER +SEQRES 6 B 170 THR VAL ALA GLU LEU MET GLU SER ALA SER ILE SER LEU +SEQRES 7 B 170 LYS GLN ALA GLU LYS ASN TRP ALA ASP TYR GLU ALA LEU +SEQRES 8 B 170 PRO ARG ASP PRO ARG GLN SER THR ALA ALA ALA ALA GLU +SEQRES 9 B 170 ILE LYS ARG ASN TYR ASP ILE TYR HIS ASN ALA LEU ALA +SEQRES 10 B 170 GLU LEU ILE GLN LEU LEU GLY ALA GLY LYS ILE ASN GLU +SEQRES 11 B 170 PHE PHE ASP GLN PRO THR GLN GLY TYR GLN ASP GLY PHE +SEQRES 12 B 170 GLU LYS GLN TYR VAL ALA TYR MET GLU GLN ASN ASP ARG +SEQRES 13 B 170 LEU HIS ASP ILE ALA VAL SER ASP ASN ASN ALA SER TYR +SEQRES 14 B 170 SER +CRYST1 51.972 133.737 39.571 90.00 90.00 90.00 P 21 21 2 +SCALE1 0.019241 0.000000 0.000000 0.00000 +SCALE2 -0.000000 0.007477 0.000000 0.00000 +SCALE3 0.000000 -0.000000 0.025271 0.00000 +ATOM 1 N ASN A 39 42.256 55.403 -1.377 1.00 75.24 N +ATOM 2 CA ASN A 39 42.407 55.462 0.111 1.00 74.80 C +ATOM 3 CB ASN A 39 42.496 56.926 0.566 1.00 76.80 C +ATOM 4 CG ASN A 39 42.749 57.071 2.056 1.00 74.72 C +ATOM 5 OD1 ASN A 39 41.983 57.727 2.755 1.00 71.43 O +ATOM 6 ND2 ASN A 39 43.825 56.461 2.547 1.00 73.50 N +ATOM 7 C ASN A 39 41.278 54.716 0.839 1.00 72.22 C +ATOM 8 O ASN A 39 41.530 54.096 1.875 1.00 71.98 O +ATOM 9 N PHE A 40 40.063 54.765 0.285 1.00 69.89 N +ATOM 10 CA PHE A 40 38.936 53.975 0.753 1.00 68.17 C +ATOM 11 CB PHE A 40 37.658 54.809 0.672 1.00 72.46 C +ATOM 12 CG PHE A 40 36.384 54.002 0.783 1.00 74.88 C +ATOM 13 CD1 PHE A 40 36.107 53.222 1.917 1.00 76.16 C +ATOM 14 CE1 PHE A 40 34.929 52.480 2.004 1.00 77.50 C +ATOM 15 CZ PHE A 40 34.004 52.517 0.969 1.00 75.84 C +ATOM 16 CE2 PHE A 40 34.260 53.288 -0.158 1.00 74.75 C +ATOM 17 CD2 PHE A 40 35.443 54.024 -0.246 1.00 73.81 C +ATOM 18 C PHE A 40 38.780 52.636 0.017 1.00 63.44 C +ATOM 19 O PHE A 40 38.355 51.646 0.621 1.00 62.44 O +ATOM 20 N THR A 41 39.139 52.590 -1.252 1.00 58.66 N +ATOM 21 CA THR A 41 39.154 51.323 -1.995 1.00 56.74 C +ATOM 22 CB THR A 41 39.630 51.562 -3.431 1.00 58.56 C +ATOM 23 OG1 THR A 41 38.846 52.618 -3.999 1.00 64.35 O +ATOM 24 CG2 THR A 41 39.526 50.286 -4.292 1.00 55.31 C +ATOM 25 C THR A 41 40.043 50.267 -1.356 1.00 50.50 C +ATOM 26 O THR A 41 39.596 49.158 -1.059 1.00 49.95 O +ATOM 27 N VAL A 42 41.307 50.635 -1.124 1.00 51.54 N +ATOM 28 CA VAL A 42 42.300 49.736 -0.540 1.00 49.44 C +ATOM 29 CB VAL A 42 43.652 50.450 -0.301 1.00 51.48 C +ATOM 30 CG1 VAL A 42 43.575 51.540 0.768 1.00 51.49 C +ATOM 31 CG2 VAL A 42 44.761 49.448 0.015 1.00 50.48 C +ATOM 32 C VAL A 42 41.795 49.079 0.745 1.00 47.95 C +ATOM 33 O VAL A 42 42.005 47.881 0.950 1.00 40.43 O +ATOM 34 N LEU A 43 41.111 49.855 1.588 1.00 43.04 N +ATOM 35 CA LEU A 43 40.557 49.345 2.847 1.00 39.89 C +ATOM 36 CB LEU A 43 40.097 50.485 3.761 1.00 38.02 C +ATOM 37 CG LEU A 43 41.194 51.485 4.157 1.00 38.26 C +ATOM 38 CD1 LEU A 43 40.657 52.472 5.172 1.00 37.86 C +ATOM 39 CD2 LEU A 43 42.447 50.827 4.713 1.00 36.93 C +ATOM 40 C LEU A 43 39.432 48.336 2.621 1.00 38.74 C +ATOM 41 O LEU A 43 39.391 47.309 3.303 1.00 40.53 O +ATOM 42 N GLN A 44 38.545 48.578 1.659 1.00 37.94 N +ATOM 43 CA GLN A 44 37.480 47.612 1.389 1.00 40.42 C +ATOM 44 CB GLN A 44 36.262 48.249 0.666 1.00 45.27 C +ATOM 45 CG GLN A 44 34.929 47.497 0.812 1.00 49.38 C +ATOM 46 CD GLN A 44 34.607 47.128 2.255 1.00 53.91 C +ATOM 47 OE1 GLN A 44 34.725 47.971 3.146 1.00 57.89 O +ATOM 48 NE2 GLN A 44 34.210 45.859 2.495 1.00 54.19 N +ATOM 49 C GLN A 44 38.011 46.366 0.677 1.00 37.76 C +ATOM 50 O GLN A 44 37.531 45.267 0.945 1.00 35.41 O +ATOM 51 N THR A 45 39.008 46.521 -0.190 1.00 40.71 N +ATOM 52 CA THR A 45 39.600 45.371 -0.882 1.00 41.32 C +ATOM 53 CB THR A 45 40.585 45.810 -1.990 1.00 46.66 C +ATOM 54 OG1 THR A 45 40.277 47.138 -2.438 1.00 49.63 O +ATOM 55 CG2 THR A 45 40.535 44.834 -3.173 1.00 48.38 C +ATOM 56 C THR A 45 40.366 44.448 0.075 1.00 41.71 C +ATOM 57 O THR A 45 40.274 43.216 -0.012 1.00 41.81 O +ATOM 58 N ILE A 46 41.150 45.046 0.966 1.00 37.47 N +ATOM 59 CA ILE A 46 41.834 44.281 2.004 1.00 40.10 C +ATOM 60 CB ILE A 46 42.738 45.180 2.895 1.00 39.26 C +ATOM 61 CG1 ILE A 46 43.971 45.613 2.108 1.00 41.75 C +ATOM 62 CD1 ILE A 46 44.659 46.848 2.646 1.00 41.99 C +ATOM 63 CG2 ILE A 46 43.187 44.464 4.157 1.00 36.17 C +ATOM 64 C ILE A 46 40.790 43.538 2.837 1.00 41.81 C +ATOM 65 O ILE A 46 40.929 42.339 3.052 1.00 41.07 O +ATOM 66 N ARG A 47 39.742 44.243 3.269 1.00 40.90 N +ATOM 67 CA ARG A 47 38.677 43.632 4.054 1.00 41.70 C +ATOM 68 CB ARG A 47 37.607 44.677 4.428 1.00 53.31 C +ATOM 69 CG ARG A 47 36.640 44.285 5.547 1.00 61.43 C +ATOM 70 CD ARG A 47 35.258 43.841 5.058 1.00 70.69 C +ATOM 71 NE ARG A 47 34.714 42.783 5.931 1.00 79.18 N +ATOM 72 CZ ARG A 47 33.927 41.766 5.552 1.00 77.40 C +ATOM 73 NH1 ARG A 47 33.516 41.621 4.291 1.00 77.58 N +ATOM 74 NH2 ARG A 47 33.546 40.868 6.456 1.00 75.06 N +ATOM 75 C ARG A 47 38.088 42.442 3.286 1.00 36.90 C +ATOM 76 O ARG A 47 38.006 41.337 3.824 1.00 38.02 O +ATOM 77 N GLN A 48 37.750 42.647 2.019 1.00 33.40 N +ATOM 78 CA GLN A 48 37.142 41.581 1.219 1.00 37.43 C +ATOM 79 CB GLN A 48 36.615 42.126 -0.130 1.00 46.50 C +ATOM 80 CG GLN A 48 35.238 42.793 -0.113 1.00 54.63 C +ATOM 81 CD GLN A 48 34.139 41.922 0.507 1.00 65.68 C +ATOM 82 OE1 GLN A 48 34.120 40.697 0.353 1.00 69.89 O +ATOM 83 NE2 GLN A 48 33.223 42.561 1.229 1.00 66.99 N +ATOM 84 C GLN A 48 38.113 40.395 0.995 1.00 36.47 C +ATOM 85 O GLN A 48 37.719 39.247 1.072 1.00 32.06 O +ATOM 86 N GLN A 49 39.387 40.698 0.750 1.00 36.95 N +ATOM 87 CA GLN A 49 40.411 39.667 0.590 1.00 36.74 C +ATOM 88 CB GLN A 49 41.775 40.290 0.237 1.00 36.49 C +ATOM 89 CG GLN A 49 41.910 40.701 -1.226 1.00 33.26 C +ATOM 90 CD GLN A 49 43.111 41.563 -1.524 1.00 31.23 C +ATOM 91 OE1 GLN A 49 43.656 42.223 -0.641 1.00 34.41 O +ATOM 92 NE2 GLN A 49 43.534 41.563 -2.779 1.00 30.85 N +ATOM 93 C GLN A 49 40.544 38.807 1.832 1.00 40.00 C +ATOM 94 O GLN A 49 40.716 37.595 1.721 1.00 37.19 O +ATOM 95 N GLN A 50 40.451 39.435 3.008 1.00 45.02 N +ATOM 96 CA GLN A 50 40.598 38.734 4.289 1.00 46.64 C +ATOM 97 CB GLN A 50 40.846 39.728 5.453 1.00 51.08 C +ATOM 98 CG GLN A 50 42.233 40.413 5.398 1.00 61.31 C +ATOM 99 CD GLN A 50 42.502 41.438 6.518 1.00 61.04 C +ATOM 100 OE1 GLN A 50 41.588 42.140 6.990 1.00 54.26 O +ATOM 101 NE2 GLN A 50 43.784 41.553 6.918 1.00 53.46 N +ATOM 102 C GLN A 50 39.427 37.775 4.571 1.00 45.39 C +ATOM 103 O GLN A 50 39.660 36.607 4.903 1.00 41.72 O +ATOM 104 N SER A 51 38.184 38.235 4.396 1.00 41.68 N +ATOM 105 CA SER A 51 37.009 37.362 4.598 1.00 41.41 C +ATOM 106 CB SER A 51 35.701 38.161 4.632 1.00 42.89 C +ATOM 107 OG SER A 51 35.602 39.044 3.532 1.00 50.85 O +ATOM 108 C SER A 51 36.915 36.232 3.568 1.00 38.25 C +ATOM 109 O SER A 51 36.629 35.095 3.912 1.00 34.73 O +ATOM 110 N THR A 52 37.170 36.531 2.304 1.00 39.15 N +ATOM 111 CA THR A 52 37.165 35.492 1.286 1.00 42.22 C +ATOM 112 CB THR A 52 37.424 36.091 -0.101 1.00 48.29 C +ATOM 113 OG1 THR A 52 36.496 37.176 -0.343 1.00 51.21 O +ATOM 114 CG2 THR A 52 37.251 35.082 -1.061 1.00 53.68 C +ATOM 115 C THR A 52 38.218 34.407 1.533 1.00 40.75 C +ATOM 116 O THR A 52 37.942 33.214 1.499 1.00 39.84 O +ATOM 117 N LEU A 53 39.440 34.833 1.787 1.00 39.99 N +ATOM 118 CA LEU A 53 40.532 33.900 1.991 1.00 39.22 C +ATOM 119 CB LEU A 53 41.831 34.687 2.020 1.00 45.18 C +ATOM 120 CG LEU A 53 43.158 33.969 1.993 1.00 48.74 C +ATOM 121 CD1 LEU A 53 43.232 33.045 0.797 1.00 50.25 C +ATOM 122 CD2 LEU A 53 44.277 35.003 1.948 1.00 55.79 C +ATOM 123 C LEU A 53 40.321 33.062 3.274 1.00 41.62 C +ATOM 124 O LEU A 53 40.627 31.860 3.292 1.00 34.35 O +ATOM 125 N ASN A 54 39.759 33.692 4.316 1.00 36.85 N +ATOM 126 CA ASN A 54 39.393 32.995 5.544 1.00 36.08 C +ATOM 127 CB ASN A 54 38.898 33.981 6.607 1.00 38.28 C +ATOM 128 CG ASN A 54 38.666 33.321 7.964 1.00 38.16 C +ATOM 129 OD1 ASN A 54 37.548 33.229 8.443 1.00 43.06 O +ATOM 130 ND2 ASN A 54 39.735 32.874 8.585 1.00 37.95 N +ATOM 131 C ASN A 54 38.317 31.957 5.286 1.00 35.33 C +ATOM 132 O ASN A 54 38.380 30.825 5.793 1.00 35.82 O +ATOM 133 N GLY A 55 37.319 32.349 4.491 1.00 34.04 N +ATOM 134 CA GLY A 55 36.241 31.456 4.107 1.00 29.50 C +ATOM 135 C GLY A 55 36.801 30.198 3.493 1.00 29.70 C +ATOM 136 O GLY A 55 36.419 29.083 3.871 1.00 26.71 O +ATOM 137 N SER A 56 37.751 30.386 2.581 1.00 28.48 N +ATOM 138 CA SER A 56 38.348 29.281 1.889 1.00 29.55 C +ATOM 139 CB SER A 56 39.268 29.816 0.812 1.00 31.25 C +ATOM 140 OG SER A 56 39.688 28.764 -0.015 1.00 32.95 O +ATOM 141 C SER A 56 39.104 28.377 2.866 1.00 32.69 C +ATOM 142 O SER A 56 38.979 27.152 2.811 1.00 32.64 O +ATOM 143 N TRP A 57 39.864 28.998 3.771 1.00 35.99 N +ATOM 144 CA TRP A 57 40.671 28.283 4.792 1.00 37.80 C +ATOM 145 CB TRP A 57 41.523 29.305 5.564 1.00 36.26 C +ATOM 146 CG TRP A 57 42.309 28.916 6.788 1.00 34.42 C +ATOM 147 CD1 TRP A 57 42.421 29.669 7.923 1.00 32.84 C +ATOM 148 NE1 TRP A 57 43.271 29.057 8.816 1.00 36.09 N +ATOM 149 CE2 TRP A 57 43.742 27.895 8.266 1.00 34.02 C +ATOM 150 CD2 TRP A 57 43.163 27.771 6.983 1.00 34.10 C +ATOM 151 CE3 TRP A 57 43.508 26.670 6.197 1.00 35.45 C +ATOM 152 CZ3 TRP A 57 44.390 25.731 6.712 1.00 33.98 C +ATOM 153 CH2 TRP A 57 44.929 25.866 7.999 1.00 33.55 C +ATOM 154 CZ2 TRP A 57 44.616 26.943 8.791 1.00 33.75 C +ATOM 155 C TRP A 57 39.768 27.468 5.701 1.00 35.00 C +ATOM 156 O TRP A 57 40.009 26.269 5.890 1.00 38.54 O +ATOM 157 N VAL A 58 38.716 28.091 6.227 1.00 34.77 N +ATOM 158 CA VAL A 58 37.732 27.370 7.063 1.00 33.47 C +ATOM 159 CB VAL A 58 36.610 28.302 7.561 1.00 32.31 C +ATOM 160 CG1 VAL A 58 35.441 27.523 8.155 1.00 32.56 C +ATOM 161 CG2 VAL A 58 37.161 29.244 8.607 1.00 35.39 C +ATOM 162 C VAL A 58 37.137 26.169 6.308 1.00 32.96 C +ATOM 163 O VAL A 58 37.042 25.077 6.867 1.00 35.43 O +ATOM 164 N ALA A 59 36.771 26.368 5.041 1.00 30.61 N +ATOM 165 CA ALA A 59 36.170 25.307 4.239 1.00 31.61 C +ATOM 166 CB ALA A 59 35.567 25.876 2.968 1.00 32.94 C +ATOM 167 C ALA A 59 37.130 24.154 3.929 1.00 32.23 C +ATOM 168 O ALA A 59 36.714 22.996 3.906 1.00 33.97 O +ATOM 169 N LEU A 60 38.403 24.459 3.696 1.00 35.04 N +ATOM 170 CA LEU A 60 39.415 23.417 3.547 1.00 33.60 C +ATOM 171 CB LEU A 60 40.759 24.019 3.154 1.00 40.28 C +ATOM 172 CG LEU A 60 40.817 24.643 1.754 1.00 40.81 C +ATOM 173 CD1 LEU A 60 42.037 25.552 1.624 1.00 43.03 C +ATOM 174 CD2 LEU A 60 40.816 23.566 0.679 1.00 38.50 C +ATOM 175 C LEU A 60 39.569 22.591 4.827 1.00 34.24 C +ATOM 176 O LEU A 60 39.636 21.372 4.765 1.00 35.69 O +ATOM 177 N LEU A 61 39.595 23.254 5.982 1.00 31.74 N +ATOM 178 CA LEU A 61 39.672 22.551 7.265 1.00 30.26 C +ATOM 179 CB LEU A 61 39.832 23.542 8.407 1.00 28.62 C +ATOM 180 CG LEU A 61 41.145 24.309 8.461 1.00 30.57 C +ATOM 181 CD1 LEU A 61 41.002 25.514 9.378 1.00 31.43 C +ATOM 182 CD2 LEU A 61 42.293 23.414 8.907 1.00 31.34 C +ATOM 183 C LEU A 61 38.444 21.684 7.523 1.00 30.82 C +ATOM 184 O LEU A 61 38.560 20.556 8.010 1.00 32.85 O +ATOM 185 N GLN A 62 37.269 22.217 7.207 1.00 32.25 N +ATOM 186 CA GLN A 62 36.024 21.443 7.316 1.00 32.04 C +ATOM 187 CB GLN A 62 34.806 22.337 7.099 1.00 30.28 C +ATOM 188 CG GLN A 62 34.399 22.952 8.441 1.00 35.66 C +ATOM 189 CD GLN A 62 33.409 24.083 8.353 1.00 35.85 C +ATOM 190 OE1 GLN A 62 33.230 24.676 7.299 1.00 45.48 O +ATOM 191 NE2 GLN A 62 32.823 24.437 9.479 1.00 31.03 N +ATOM 192 C GLN A 62 36.016 20.236 6.400 1.00 30.85 C +ATOM 193 O GLN A 62 35.591 19.169 6.805 1.00 30.92 O +ATOM 194 N THR A 63 36.528 20.399 5.189 1.00 32.39 N +ATOM 195 CA THR A 63 36.698 19.290 4.256 1.00 33.39 C +ATOM 196 CB THR A 63 37.291 19.785 2.927 1.00 35.20 C +ATOM 197 OG1 THR A 63 36.445 20.802 2.388 1.00 36.32 O +ATOM 198 CG2 THR A 63 37.432 18.647 1.923 1.00 34.88 C +ATOM 199 C THR A 63 37.613 18.216 4.831 1.00 32.29 C +ATOM 200 O THR A 63 37.236 17.054 4.905 1.00 31.00 O +ATOM 201 N ARG A 64 38.812 18.609 5.239 1.00 33.48 N +ATOM 202 CA ARG A 64 39.748 17.661 5.855 1.00 34.33 C +ATOM 203 CB ARG A 64 41.014 18.368 6.339 1.00 35.00 C +ATOM 204 CG ARG A 64 42.164 17.402 6.579 1.00 36.65 C +ATOM 205 CD ARG A 64 43.289 18.090 7.309 1.00 36.96 C +ATOM 206 NE ARG A 64 44.372 17.184 7.669 1.00 36.45 N +ATOM 207 CZ ARG A 64 45.407 17.524 8.437 1.00 36.78 C +ATOM 208 NH1 ARG A 64 45.509 18.763 8.940 1.00 37.78 N +ATOM 209 NH2 ARG A 64 46.347 16.624 8.718 1.00 34.19 N +ATOM 210 C ARG A 64 39.102 16.900 7.026 1.00 34.20 C +ATOM 211 O ARG A 64 39.218 15.675 7.112 1.00 31.22 O +ATOM 212 N ASN A 65 38.412 17.621 7.907 1.00 36.21 N +ATOM 213 CA ASN A 65 37.743 16.978 9.043 1.00 40.25 C +ATOM 214 CB ASN A 65 37.088 18.000 9.973 1.00 42.67 C +ATOM 215 CG ASN A 65 36.423 17.328 11.158 1.00 46.36 C +ATOM 216 OD1 ASN A 65 37.111 16.777 12.027 1.00 44.10 O +ATOM 217 ND2 ASN A 65 35.077 17.310 11.171 1.00 45.50 N +ATOM 218 C ASN A 65 36.697 15.948 8.613 1.00 41.14 C +ATOM 219 O ASN A 65 36.679 14.819 9.121 1.00 43.36 O +ATOM 220 N THR A 66 35.842 16.345 7.678 1.00 39.42 N +ATOM 221 CA THR A 66 34.792 15.466 7.166 1.00 39.46 C +ATOM 222 CB THR A 66 33.885 16.190 6.159 1.00 35.25 C +ATOM 223 OG1 THR A 66 33.269 17.299 6.804 1.00 30.70 O +ATOM 224 CG2 THR A 66 32.800 15.261 5.643 1.00 38.13 C +ATOM 225 C THR A 66 35.368 14.225 6.500 1.00 39.25 C +ATOM 226 O THR A 66 34.808 13.134 6.645 1.00 40.71 O +ATOM 227 N LEU A 67 36.473 14.400 5.776 1.00 35.23 N +ATOM 228 CA LEU A 67 37.154 13.282 5.150 1.00 33.62 C +ATOM 229 CB LEU A 67 38.333 13.759 4.295 1.00 37.68 C +ATOM 230 CG LEU A 67 37.951 14.366 2.951 1.00 39.99 C +ATOM 231 CD1 LEU A 67 39.222 14.877 2.268 1.00 37.74 C +ATOM 232 CD2 LEU A 67 37.182 13.344 2.099 1.00 39.37 C +ATOM 233 C LEU A 67 37.630 12.274 6.177 1.00 29.79 C +ATOM 234 O LEU A 67 37.526 11.089 5.940 1.00 27.65 O +ATOM 235 N ASN A 68 38.142 12.740 7.310 1.00 30.00 N +ATOM 236 CA ASN A 68 38.590 11.835 8.376 1.00 31.65 C +ATOM 237 CB ASN A 68 39.525 12.550 9.373 1.00 31.54 C +ATOM 238 CG ASN A 68 40.932 12.685 8.843 1.00 30.42 C +ATOM 239 OD1 ASN A 68 41.592 11.673 8.613 1.00 27.05 O +ATOM 240 ND2 ASN A 68 41.409 13.923 8.661 1.00 30.74 N +ATOM 241 C ASN A 68 37.437 11.156 9.103 1.00 31.08 C +ATOM 242 O ASN A 68 37.593 10.028 9.561 1.00 30.60 O +ATOM 243 N ARG A 69 36.287 11.817 9.203 1.00 35.14 N +ATOM 244 CA ARG A 69 35.068 11.135 9.685 1.00 36.33 C +ATOM 245 CB ARG A 69 33.910 12.111 9.852 1.00 37.67 C +ATOM 246 CG ARG A 69 34.092 13.135 10.948 1.00 38.79 C +ATOM 247 CD ARG A 69 32.870 14.025 11.016 1.00 41.34 C +ATOM 248 NE ARG A 69 31.682 13.246 11.388 1.00 44.44 N +ATOM 249 CZ ARG A 69 30.418 13.618 11.175 1.00 44.40 C +ATOM 250 NH1 ARG A 69 30.125 14.782 10.595 1.00 42.60 N +ATOM 251 NH2 ARG A 69 29.422 12.817 11.554 1.00 45.55 N +ATOM 252 C ARG A 69 34.640 10.006 8.724 1.00 35.11 C +ATOM 253 O ARG A 69 34.264 8.917 9.160 1.00 35.57 O +ATOM 254 N ALA A 70 34.690 10.280 7.421 1.00 34.58 N +ATOM 255 CA ALA A 70 34.400 9.259 6.406 1.00 37.99 C +ATOM 256 CB ALA A 70 34.496 9.846 5.000 1.00 37.47 C +ATOM 257 C ALA A 70 35.348 8.064 6.555 1.00 39.86 C +ATOM 258 O ALA A 70 34.921 6.906 6.517 1.00 38.56 O +ATOM 259 N GLY A 71 36.628 8.366 6.750 1.00 39.58 N +ATOM 260 CA GLY A 71 37.658 7.361 6.939 1.00 39.94 C +ATOM 261 C GLY A 71 37.461 6.502 8.160 1.00 40.44 C +ATOM 262 O GLY A 71 37.709 5.303 8.105 1.00 39.87 O +ATOM 263 N ILE A 72 37.021 7.105 9.265 1.00 42.32 N +ATOM 264 CA ILE A 72 36.731 6.334 10.480 1.00 48.97 C +ATOM 265 CB ILE A 72 36.623 7.242 11.731 1.00 55.36 C +ATOM 266 CG1 ILE A 72 37.002 6.480 13.006 1.00 59.63 C +ATOM 267 CD1 ILE A 72 37.227 7.385 14.204 1.00 59.93 C +ATOM 268 CG2 ILE A 72 35.256 7.858 11.890 1.00 61.79 C +ATOM 269 C ILE A 72 35.487 5.465 10.252 1.00 47.15 C +ATOM 270 O ILE A 72 35.431 4.318 10.702 1.00 44.84 O +ATOM 271 N ARG A 73 34.513 6.011 9.529 1.00 45.48 N +ATOM 272 CA ARG A 73 33.300 5.280 9.183 1.00 45.34 C +ATOM 273 CB ARG A 73 32.276 6.218 8.524 1.00 48.42 C +ATOM 274 CG ARG A 73 30.905 5.610 8.208 1.00 50.32 C +ATOM 275 CD ARG A 73 30.233 4.975 9.419 1.00 50.20 C +ATOM 276 NE ARG A 73 28.785 5.228 9.442 1.00 48.95 N +ATOM 277 CZ ARG A 73 27.808 4.328 9.264 1.00 50.83 C +ATOM 278 NH1 ARG A 73 28.055 3.044 9.033 1.00 53.20 N +ATOM 279 NH2 ARG A 73 26.540 4.730 9.327 1.00 48.90 N +ATOM 280 C ARG A 73 33.613 4.099 8.265 1.00 43.39 C +ATOM 281 O ARG A 73 33.035 3.032 8.431 1.00 41.67 O +ATOM 282 N TYR A 74 34.518 4.295 7.304 1.00 41.82 N +ATOM 283 CA TYR A 74 34.917 3.231 6.375 1.00 39.43 C +ATOM 284 CB TYR A 74 35.913 3.753 5.320 1.00 38.82 C +ATOM 285 CG TYR A 74 36.421 2.685 4.370 1.00 39.62 C +ATOM 286 CD2 TYR A 74 37.605 1.995 4.635 1.00 40.52 C +ATOM 287 CE2 TYR A 74 38.069 1.007 3.777 1.00 41.70 C +ATOM 288 CZ TYR A 74 37.349 0.694 2.636 1.00 42.01 C +ATOM 289 OH TYR A 74 37.820 -0.288 1.790 1.00 42.64 O +ATOM 290 CE1 TYR A 74 36.170 1.361 2.349 1.00 41.22 C +ATOM 291 CD1 TYR A 74 35.715 2.351 3.209 1.00 39.85 C +ATOM 292 C TYR A 74 35.505 2.046 7.133 1.00 39.77 C +ATOM 293 O TYR A 74 35.154 0.899 6.865 1.00 40.12 O +ATOM 294 N MET A 75 36.391 2.342 8.081 1.00 41.47 N +ATOM 295 CA MET A 75 37.013 1.322 8.934 1.00 43.30 C +ATOM 296 CB MET A 75 38.030 1.970 9.882 1.00 41.60 C +ATOM 297 CG MET A 75 39.299 2.443 9.191 1.00 42.66 C +ATOM 298 SD MET A 75 40.306 1.041 8.662 1.00 42.51 S +ATOM 299 CE MET A 75 40.834 0.339 10.216 1.00 40.41 C +ATOM 300 C MET A 75 36.000 0.537 9.755 1.00 43.26 C +ATOM 301 O MET A 75 36.142 -0.678 9.937 1.00 39.03 O +ATOM 302 N MET A 76 34.998 1.247 10.266 1.00 45.48 N +ATOM 303 CA MET A 76 33.898 0.622 10.997 1.00 49.54 C +ATOM 304 CB MET A 76 33.026 1.687 11.674 1.00 50.83 C +ATOM 305 CG MET A 76 33.721 2.367 12.843 1.00 51.47 C +ATOM 306 SD MET A 76 32.778 3.743 13.506 1.00 53.75 S +ATOM 307 CE MET A 76 33.053 3.442 15.245 1.00 51.19 C +ATOM 308 C MET A 76 33.077 -0.251 10.048 1.00 51.20 C +ATOM 309 O MET A 76 32.843 -1.427 10.329 1.00 53.47 O +ATOM 310 N ASP A 77 32.668 0.323 8.916 1.00 51.10 N +ATOM 311 CA ASP A 77 31.941 -0.410 7.865 1.00 50.92 C +ATOM 312 CB ASP A 77 31.670 0.492 6.641 1.00 50.54 C +ATOM 313 CG ASP A 77 30.602 1.565 6.903 1.00 49.27 C +ATOM 314 OD1 ASP A 77 29.966 1.558 7.985 1.00 48.65 O +ATOM 315 OD2 ASP A 77 30.400 2.422 6.010 1.00 44.37 O +ATOM 316 C ASP A 77 32.676 -1.677 7.413 1.00 51.00 C +ATOM 317 O ASP A 77 32.036 -2.702 7.151 1.00 53.31 O +ATOM 318 N GLN A 78 34.006 -1.600 7.329 1.00 47.22 N +ATOM 319 CA GLN A 78 34.838 -2.765 7.010 1.00 47.83 C +ATOM 320 CB GLN A 78 36.327 -2.387 6.908 1.00 47.19 C +ATOM 321 CG GLN A 78 36.728 -1.685 5.609 1.00 47.58 C +ATOM 322 CD GLN A 78 36.721 -2.590 4.382 1.00 47.29 C +ATOM 323 OE1 GLN A 78 36.188 -2.219 3.334 1.00 46.88 O +ATOM 324 NE2 GLN A 78 37.312 -3.775 4.505 1.00 46.02 N +ATOM 325 C GLN A 78 34.651 -3.917 8.002 1.00 49.23 C +ATOM 326 O GLN A 78 34.561 -5.069 7.593 1.00 53.16 O +ATOM 327 N ASN A 79 34.553 -3.610 9.300 1.00 49.02 N +ATOM 328 CA ASN A 79 34.386 -4.630 10.345 1.00 50.41 C +ATOM 329 CB ASN A 79 35.260 -4.248 11.561 1.00 50.66 C +ATOM 330 CG ASN A 79 36.735 -4.163 11.214 1.00 52.36 C +ATOM 331 OD1 ASN A 79 37.167 -4.605 10.147 1.00 54.34 O +ATOM 332 ND2 ASN A 79 37.524 -3.613 12.127 1.00 51.65 N +ATOM 333 C ASN A 79 32.909 -4.775 10.759 1.00 50.70 C +ATOM 334 O ASN A 79 32.621 -4.876 11.944 1.00 48.50 O +ATOM 335 N ASN A 80 31.982 -4.724 9.795 1.00 51.00 N +ATOM 336 CA ASN A 80 30.548 -4.982 10.008 1.00 50.31 C +ATOM 337 CB ASN A 80 30.318 -6.504 10.120 1.00 47.18 C +ATOM 338 CG ASN A 80 30.692 -7.259 8.850 1.00 44.32 C +ATOM 339 OD1 ASN A 80 31.528 -6.815 8.057 1.00 38.55 O +ATOM 340 ND2 ASN A 80 30.073 -8.426 8.659 1.00 44.31 N +ATOM 341 C ASN A 80 29.836 -4.219 11.156 1.00 54.21 C +ATOM 342 O ASN A 80 28.782 -4.626 11.606 1.00 52.98 O +ATOM 343 N ILE A 81 30.397 -3.085 11.564 1.00 62.30 N +ATOM 344 CA ILE A 81 29.833 -2.178 12.580 1.00 67.51 C +ATOM 345 CB ILE A 81 30.779 -2.033 13.832 1.00 68.84 C +ATOM 346 CG1 ILE A 81 30.208 -1.098 14.932 1.00 68.57 C +ATOM 347 CD1 ILE A 81 30.618 0.368 14.851 1.00 65.96 C +ATOM 348 CG2 ILE A 81 32.217 -1.637 13.464 1.00 68.45 C +ATOM 349 C ILE A 81 29.578 -0.832 11.874 1.00 71.09 C +ATOM 350 O ILE A 81 30.117 -0.583 10.788 1.00 68.21 O +ATOM 351 N GLY A 82 28.755 0.035 12.465 1.00 74.35 N +ATOM 352 CA GLY A 82 28.708 1.417 12.023 1.00 74.15 C +ATOM 353 C GLY A 82 27.625 2.254 12.639 1.00 77.37 C +ATOM 354 O GLY A 82 26.529 1.769 12.930 1.00 82.99 O +ATOM 355 N SER A 83 27.938 3.532 12.809 1.00 77.67 N +ATOM 356 CA SER A 83 27.066 4.482 13.518 1.00 77.73 C +ATOM 357 CB SER A 83 27.551 4.660 14.968 1.00 76.47 C +ATOM 358 OG SER A 83 28.364 3.578 15.420 1.00 72.33 O +ATOM 359 C SER A 83 27.060 5.830 12.781 1.00 75.92 C +ATOM 360 O SER A 83 27.828 6.019 11.849 1.00 75.77 O +ATOM 361 N GLY A 84 26.184 6.746 13.190 1.00 72.25 N +ATOM 362 CA GLY A 84 26.198 8.138 12.695 1.00 67.27 C +ATOM 363 C GLY A 84 25.905 8.327 11.209 1.00 62.72 C +ATOM 364 O GLY A 84 25.015 7.672 10.666 1.00 59.78 O +ATOM 365 N SER A 85 26.653 9.227 10.562 1.00 58.91 N +ATOM 366 CA SER A 85 26.508 9.497 9.120 1.00 53.34 C +ATOM 367 CB SER A 85 26.829 10.960 8.792 1.00 53.50 C +ATOM 368 OG SER A 85 25.702 11.747 9.121 1.00 56.85 O +ATOM 369 C SER A 85 27.377 8.552 8.293 1.00 47.84 C +ATOM 370 O SER A 85 28.466 8.175 8.720 1.00 46.71 O +ATOM 371 N THR A 86 26.883 8.173 7.110 1.00 45.81 N +ATOM 372 CA THR A 86 27.532 7.139 6.273 1.00 45.08 C +ATOM 373 CB THR A 86 26.531 6.403 5.330 1.00 47.98 C +ATOM 374 OG1 THR A 86 27.247 5.551 4.426 1.00 52.12 O +ATOM 375 CG2 THR A 86 25.666 7.364 4.528 1.00 46.47 C +ATOM 376 C THR A 86 28.703 7.678 5.472 1.00 40.60 C +ATOM 377 O THR A 86 28.833 8.889 5.291 1.00 39.47 O +ATOM 378 N VAL A 87 29.542 6.767 4.981 1.00 37.55 N +ATOM 379 CA VAL A 87 30.732 7.141 4.198 1.00 37.98 C +ATOM 380 CB VAL A 87 31.530 5.917 3.688 1.00 36.03 C +ATOM 381 CG1 VAL A 87 32.670 6.349 2.775 1.00 35.24 C +ATOM 382 CG2 VAL A 87 32.084 5.124 4.857 1.00 36.07 C +ATOM 383 C VAL A 87 30.301 7.989 3.012 1.00 40.46 C +ATOM 384 O VAL A 87 30.856 9.060 2.788 1.00 41.43 O +ATOM 385 N ALA A 88 29.290 7.501 2.292 1.00 42.60 N +ATOM 386 CA ALA A 88 28.741 8.184 1.125 1.00 40.71 C +ATOM 387 CB ALA A 88 27.639 7.352 0.492 1.00 37.34 C +ATOM 388 C ALA A 88 28.224 9.583 1.452 1.00 43.16 C +ATOM 389 O ALA A 88 28.480 10.522 0.701 1.00 45.34 O +ATOM 390 N GLU A 89 27.518 9.730 2.572 1.00 45.87 N +ATOM 391 CA GLU A 89 26.954 11.031 2.968 1.00 49.06 C +ATOM 392 CB GLU A 89 25.926 10.871 4.101 1.00 56.00 C +ATOM 393 CG GLU A 89 25.088 12.116 4.407 1.00 62.00 C +ATOM 394 CD GLU A 89 25.427 12.763 5.747 1.00 66.41 C +ATOM 395 OE2 GLU A 89 24.750 12.417 6.748 1.00 73.26 O +ATOM 396 OE1 GLU A 89 26.342 13.630 5.779 1.00 63.42 O +ATOM 397 C GLU A 89 28.055 12.016 3.363 1.00 44.94 C +ATOM 398 O GLU A 89 27.976 13.204 3.043 1.00 42.13 O +ATOM 399 N LEU A 90 29.084 11.506 4.036 1.00 42.29 N +ATOM 400 CA LEU A 90 30.241 12.308 4.422 1.00 42.66 C +ATOM 401 CB LEU A 90 31.078 11.562 5.466 1.00 41.92 C +ATOM 402 CG LEU A 90 30.382 11.345 6.814 1.00 41.63 C +ATOM 403 CD1 LEU A 90 31.134 10.317 7.649 1.00 40.61 C +ATOM 404 CD2 LEU A 90 30.233 12.659 7.579 1.00 42.98 C +ATOM 405 C LEU A 90 31.112 12.667 3.225 1.00 43.27 C +ATOM 406 O LEU A 90 31.634 13.778 3.144 1.00 42.38 O +ATOM 407 N MET A 91 31.280 11.727 2.304 1.00 42.08 N +ATOM 408 CA MET A 91 32.065 11.981 1.098 1.00 45.17 C +ATOM 409 CB MET A 91 32.222 10.704 0.271 1.00 47.44 C +ATOM 410 CG MET A 91 33.114 9.675 0.954 1.00 53.12 C +ATOM 411 SD MET A 91 34.831 9.723 0.385 1.00 62.72 S +ATOM 412 CE MET A 91 34.685 8.704 -1.079 1.00 60.08 C +ATOM 413 C MET A 91 31.451 13.098 0.261 1.00 42.05 C +ATOM 414 O MET A 91 32.164 13.994 -0.177 1.00 42.33 O +ATOM 415 N GLU A 92 30.137 13.067 0.059 1.00 39.16 N +ATOM 416 CA GLU A 92 29.497 14.113 -0.748 1.00 39.92 C +ATOM 417 CB GLU A 92 28.159 13.666 -1.349 1.00 38.19 C +ATOM 418 CG GLU A 92 27.068 13.240 -0.396 1.00 38.03 C +ATOM 419 CD GLU A 92 26.164 12.144 -0.963 1.00 40.75 C +ATOM 420 OE1 GLU A 92 26.579 11.361 -1.851 1.00 42.92 O +ATOM 421 OE2 GLU A 92 25.022 12.026 -0.485 1.00 45.01 O +ATOM 422 C GLU A 92 29.423 15.437 0.006 1.00 38.76 C +ATOM 423 O GLU A 92 29.446 16.496 -0.616 1.00 38.32 O +ATOM 424 N SER A 93 29.386 15.378 1.331 1.00 38.26 N +ATOM 425 CA SER A 93 29.531 16.580 2.170 1.00 39.28 C +ATOM 426 CB SER A 93 29.265 16.259 3.633 1.00 37.41 C +ATOM 427 OG SER A 93 29.373 17.445 4.387 1.00 34.59 O +ATOM 428 C SER A 93 30.926 17.192 2.041 1.00 41.59 C +ATOM 429 O SER A 93 31.070 18.405 1.870 1.00 39.31 O +ATOM 430 N ALA A 94 31.946 16.343 2.132 1.00 42.08 N +ATOM 431 CA ALA A 94 33.331 16.759 1.893 1.00 42.67 C +ATOM 432 CB ALA A 94 34.277 15.570 1.991 1.00 41.96 C +ATOM 433 C ALA A 94 33.465 17.422 0.530 1.00 44.82 C +ATOM 434 O ALA A 94 34.049 18.496 0.417 1.00 46.76 O +ATOM 435 N SER A 95 32.900 16.791 -0.499 1.00 44.34 N +ATOM 436 CA SER A 95 32.924 17.337 -1.861 1.00 42.97 C +ATOM 437 CB SER A 95 32.211 16.402 -2.839 1.00 46.43 C +ATOM 438 OG SER A 95 32.944 15.213 -3.029 1.00 54.28 O +ATOM 439 C SER A 95 32.307 18.731 -1.951 1.00 41.16 C +ATOM 440 O SER A 95 32.838 19.593 -2.650 1.00 44.29 O +ATOM 441 N ILE A 96 31.200 18.947 -1.243 1.00 37.08 N +ATOM 442 CA ILE A 96 30.492 20.228 -1.245 1.00 35.16 C +ATOM 443 CB ILE A 96 29.052 20.075 -0.683 1.00 32.03 C +ATOM 444 CG1 ILE A 96 28.224 19.242 -1.667 1.00 32.47 C +ATOM 445 CD1 ILE A 96 27.037 18.543 -1.056 1.00 31.34 C +ATOM 446 CG2 ILE A 96 28.378 21.432 -0.468 1.00 28.75 C +ATOM 447 C ILE A 96 31.274 21.308 -0.505 1.00 36.32 C +ATOM 448 O ILE A 96 31.374 22.419 -0.998 1.00 43.33 O +ATOM 449 N SER A 97 31.820 20.997 0.666 1.00 37.50 N +ATOM 450 CA SER A 97 32.677 21.956 1.383 1.00 39.64 C +ATOM 451 CB SER A 97 32.994 21.480 2.811 1.00 36.79 C +ATOM 452 OG SER A 97 33.696 20.251 2.803 1.00 38.65 O +ATOM 453 C SER A 97 33.977 22.267 0.607 1.00 38.46 C +ATOM 454 O SER A 97 34.439 23.408 0.618 1.00 40.59 O +ATOM 455 N LEU A 98 34.547 21.270 -0.069 1.00 34.81 N +ATOM 456 CA LEU A 98 35.685 21.515 -0.960 1.00 33.92 C +ATOM 457 CB LEU A 98 36.221 20.222 -1.578 1.00 34.63 C +ATOM 458 CG LEU A 98 37.564 20.352 -2.325 1.00 35.42 C +ATOM 459 CD1 LEU A 98 38.661 20.935 -1.443 1.00 35.50 C +ATOM 460 CD2 LEU A 98 38.012 19.002 -2.850 1.00 36.32 C +ATOM 461 C LEU A 98 35.323 22.482 -2.084 1.00 34.23 C +ATOM 462 O LEU A 98 36.105 23.382 -2.390 1.00 33.63 O +ATOM 463 N LYS A 99 34.150 22.290 -2.693 1.00 31.38 N +ATOM 464 CA LYS A 99 33.623 23.240 -3.662 1.00 33.24 C +ATOM 465 CB LYS A 99 32.271 22.769 -4.214 1.00 39.04 C +ATOM 466 CG LYS A 99 32.394 21.631 -5.218 1.00 44.90 C +ATOM 467 CD LYS A 99 32.694 22.179 -6.605 1.00 47.97 C +ATOM 468 CE LYS A 99 32.868 21.079 -7.644 1.00 50.70 C +ATOM 469 NZ LYS A 99 34.300 20.728 -7.872 1.00 52.71 N +ATOM 470 C LYS A 99 33.463 24.625 -3.061 1.00 31.81 C +ATOM 471 O LYS A 99 33.725 25.605 -3.740 1.00 28.18 O +ATOM 472 N GLN A 100 33.023 24.704 -1.801 1.00 33.49 N +ATOM 473 CA GLN A 100 32.866 25.993 -1.099 1.00 34.25 C +ATOM 474 CB GLN A 100 32.151 25.823 0.254 1.00 32.83 C +ATOM 475 CG GLN A 100 31.770 27.113 0.987 1.00 34.26 C +ATOM 476 CD GLN A 100 30.775 27.969 0.228 1.00 34.53 C +ATOM 477 OE1 GLN A 100 29.960 27.463 -0.528 1.00 44.19 O +ATOM 478 NE2 GLN A 100 30.837 29.270 0.430 1.00 35.25 N +ATOM 479 C GLN A 100 34.234 26.639 -0.922 1.00 35.82 C +ATOM 480 O GLN A 100 34.360 27.849 -1.087 1.00 36.26 O +ATOM 481 N ALA A 101 35.255 25.840 -0.618 1.00 36.51 N +ATOM 482 CA ALA A 101 36.631 26.346 -0.565 1.00 41.73 C +ATOM 483 CB ALA A 101 37.587 25.260 -0.091 1.00 41.07 C +ATOM 484 C ALA A 101 37.097 26.935 -1.910 1.00 38.75 C +ATOM 485 O ALA A 101 37.698 28.013 -1.940 1.00 41.94 O +ATOM 486 N GLU A 102 36.794 26.240 -3.005 1.00 37.60 N +ATOM 487 CA GLU A 102 37.107 26.710 -4.376 1.00 32.37 C +ATOM 488 CB GLU A 102 36.742 25.638 -5.400 1.00 31.75 C +ATOM 489 CG GLU A 102 37.611 24.384 -5.301 1.00 37.59 C +ATOM 490 CD GLU A 102 37.033 23.172 -6.038 1.00 46.37 C +ATOM 491 OE1 GLU A 102 36.082 23.322 -6.864 1.00 57.36 O +ATOM 492 OE2 GLU A 102 37.556 22.056 -5.809 1.00 44.15 O +ATOM 493 C GLU A 102 36.407 28.022 -4.716 1.00 29.61 C +ATOM 494 O GLU A 102 37.011 28.911 -5.302 1.00 32.64 O +ATOM 495 N LYS A 103 35.146 28.144 -4.321 1.00 29.14 N +ATOM 496 CA LYS A 103 34.355 29.347 -4.558 1.00 28.76 C +ATOM 497 CB LYS A 103 32.912 29.144 -4.093 1.00 28.72 C +ATOM 498 CG LYS A 103 31.949 30.192 -4.620 1.00 30.67 C +ATOM 499 CD LYS A 103 30.564 30.112 -3.981 1.00 34.16 C +ATOM 500 CE LYS A 103 30.334 31.147 -2.870 1.00 36.99 C +ATOM 501 NZ LYS A 103 30.404 32.583 -3.315 1.00 37.45 N +ATOM 502 C LYS A 103 34.968 30.561 -3.858 1.00 32.14 C +ATOM 503 O LYS A 103 35.174 31.605 -4.492 1.00 30.32 O +ATOM 504 N ASN A 104 35.244 30.423 -2.560 1.00 34.62 N +ATOM 505 CA ASN A 104 35.879 31.503 -1.793 1.00 33.81 C +ATOM 506 CB ASN A 104 35.979 31.176 -0.286 1.00 38.75 C +ATOM 507 CG ASN A 104 34.636 31.132 0.409 1.00 38.18 C +ATOM 508 OD1 ASN A 104 33.963 32.144 0.579 1.00 47.94 O +ATOM 509 ND2 ASN A 104 34.267 29.955 0.850 1.00 38.30 N +ATOM 510 C ASN A 104 37.281 31.794 -2.318 1.00 31.09 C +ATOM 511 O ASN A 104 37.645 32.949 -2.448 1.00 34.20 O +ATOM 512 N TRP A 105 38.070 30.771 -2.638 1.00 28.34 N +ATOM 513 CA TRP A 105 39.349 31.030 -3.315 1.00 30.22 C +ATOM 514 CB TRP A 105 40.088 29.742 -3.665 1.00 32.24 C +ATOM 515 CG TRP A 105 41.429 30.054 -4.269 1.00 33.21 C +ATOM 516 CD1 TRP A 105 41.756 29.968 -5.563 1.00 33.19 C +ATOM 517 NE1 TRP A 105 43.049 30.377 -5.758 1.00 38.06 N +ATOM 518 CE2 TRP A 105 43.584 30.751 -4.558 1.00 35.92 C +ATOM 519 CD2 TRP A 105 42.584 30.570 -3.589 1.00 34.43 C +ATOM 520 CE3 TRP A 105 42.877 30.878 -2.247 1.00 39.53 C +ATOM 521 CZ3 TRP A 105 44.171 31.342 -1.930 1.00 36.94 C +ATOM 522 CH2 TRP A 105 45.128 31.516 -2.916 1.00 33.08 C +ATOM 523 CZ2 TRP A 105 44.858 31.226 -4.245 1.00 36.57 C +ATOM 524 C TRP A 105 39.199 31.869 -4.602 1.00 29.78 C +ATOM 525 O TRP A 105 39.893 32.868 -4.779 1.00 29.75 O +ATOM 526 N ALA A 106 38.287 31.456 -5.481 1.00 28.27 N +ATOM 527 CA ALA A 106 38.038 32.158 -6.710 1.00 28.18 C +ATOM 528 CB ALA A 106 37.013 31.404 -7.541 1.00 28.05 C +ATOM 529 C ALA A 106 37.578 33.591 -6.450 1.00 31.13 C +ATOM 530 O ALA A 106 37.996 34.514 -7.167 1.00 34.48 O +ATOM 531 N ASP A 107 36.716 33.787 -5.447 1.00 32.74 N +ATOM 532 CA ASP A 107 36.289 35.134 -5.057 1.00 34.99 C +ATOM 533 CB ASP A 107 35.158 35.093 -4.011 1.00 39.29 C +ATOM 534 CG ASP A 107 33.822 34.581 -4.569 1.00 42.42 C +ATOM 535 OD1 ASP A 107 33.581 34.567 -5.803 1.00 48.14 O +ATOM 536 OD2 ASP A 107 33.000 34.215 -3.732 1.00 47.69 O +ATOM 537 C ASP A 107 37.465 35.948 -4.527 1.00 34.67 C +ATOM 538 O ASP A 107 37.530 37.137 -4.795 1.00 35.62 O +ATOM 539 N TYR A 108 38.399 35.315 -3.811 1.00 33.19 N +ATOM 540 CA TYR A 108 39.624 35.989 -3.352 1.00 36.13 C +ATOM 541 CB TYR A 108 40.485 35.094 -2.419 1.00 39.53 C +ATOM 542 CG TYR A 108 41.949 35.464 -2.411 1.00 39.66 C +ATOM 543 CD1 TYR A 108 42.392 36.641 -1.805 1.00 41.50 C +ATOM 544 CE1 TYR A 108 43.738 36.988 -1.826 1.00 44.59 C +ATOM 545 CZ TYR A 108 44.648 36.162 -2.469 1.00 47.96 C +ATOM 546 OH TYR A 108 45.975 36.500 -2.522 1.00 61.18 O +ATOM 547 CE2 TYR A 108 44.234 35.001 -3.078 1.00 46.97 C +ATOM 548 CD2 TYR A 108 42.894 34.650 -3.043 1.00 44.34 C +ATOM 549 C TYR A 108 40.439 36.491 -4.549 1.00 34.23 C +ATOM 550 O TYR A 108 40.767 37.680 -4.617 1.00 35.89 O +ATOM 551 N GLU A 109 40.717 35.599 -5.497 1.00 31.84 N +ATOM 552 CA GLU A 109 41.531 35.929 -6.669 1.00 35.26 C +ATOM 553 CB GLU A 109 41.734 34.704 -7.551 1.00 35.32 C +ATOM 554 CG GLU A 109 42.534 33.586 -6.906 1.00 40.76 C +ATOM 555 CD GLU A 109 43.277 32.756 -7.936 1.00 45.12 C +ATOM 556 OE1 GLU A 109 42.612 31.991 -8.668 1.00 51.46 O +ATOM 557 OE2 GLU A 109 44.521 32.853 -8.010 1.00 46.86 O +ATOM 558 C GLU A 109 40.952 37.074 -7.513 1.00 36.04 C +ATOM 559 O GLU A 109 41.701 37.902 -8.052 1.00 37.74 O +ATOM 560 N ALA A 110 39.626 37.127 -7.613 1.00 34.59 N +ATOM 561 CA ALA A 110 38.963 38.136 -8.425 1.00 35.58 C +ATOM 562 CB ALA A 110 37.503 37.766 -8.639 1.00 35.99 C +ATOM 563 C ALA A 110 39.055 39.538 -7.842 1.00 38.09 C +ATOM 564 O ALA A 110 38.768 40.495 -8.548 1.00 39.75 O +ATOM 565 N LEU A 111 39.419 39.678 -6.566 1.00 41.11 N +ATOM 566 CA LEU A 111 39.547 41.003 -5.966 1.00 42.83 C +ATOM 567 CB LEU A 111 39.713 40.943 -4.440 1.00 44.29 C +ATOM 568 CG LEU A 111 38.503 40.755 -3.534 1.00 47.88 C +ATOM 569 CD1 LEU A 111 37.505 41.902 -3.655 1.00 46.25 C +ATOM 570 CD2 LEU A 111 37.795 39.469 -3.818 1.00 49.40 C +ATOM 571 C LEU A 111 40.721 41.737 -6.609 1.00 43.23 C +ATOM 572 O LEU A 111 41.828 41.186 -6.714 1.00 40.45 O +ATOM 573 N PRO A 112 40.472 42.972 -7.082 1.00 53.06 N +ATOM 574 CA PRO A 112 41.528 43.686 -7.787 1.00 53.33 C +ATOM 575 CB PRO A 112 40.807 44.906 -8.361 1.00 54.03 C +ATOM 576 CG PRO A 112 39.663 45.151 -7.427 1.00 52.90 C +ATOM 577 CD PRO A 112 39.271 43.810 -6.870 1.00 52.41 C +ATOM 578 C PRO A 112 42.605 44.074 -6.785 1.00 50.08 C +ATOM 579 O PRO A 112 42.302 44.673 -5.756 1.00 48.42 O +ATOM 580 N ARG A 113 43.843 43.695 -7.083 1.00 45.86 N +ATOM 581 CA ARG A 113 44.942 43.820 -6.142 1.00 46.25 C +ATOM 582 CB ARG A 113 46.082 42.893 -6.562 1.00 52.22 C +ATOM 583 CG ARG A 113 47.015 42.502 -5.442 1.00 60.85 C +ATOM 584 CD ARG A 113 48.141 41.613 -5.951 1.00 68.67 C +ATOM 585 NE ARG A 113 47.614 40.411 -6.611 1.00 76.57 N +ATOM 586 CZ ARG A 113 48.182 39.766 -7.640 1.00 75.78 C +ATOM 587 NH1 ARG A 113 49.326 40.184 -8.186 1.00 71.68 N +ATOM 588 NH2 ARG A 113 47.581 38.693 -8.150 1.00 74.29 N +ATOM 589 C ARG A 113 45.381 45.274 -6.097 1.00 40.20 C +ATOM 590 O ARG A 113 45.368 45.959 -7.126 1.00 39.58 O +ATOM 591 N ASP A 114 45.728 45.752 -4.902 1.00 36.14 N +ATOM 592 CA ASP A 114 46.252 47.103 -4.729 1.00 37.10 C +ATOM 593 CB ASP A 114 46.210 47.474 -3.234 1.00 37.83 C +ATOM 594 CG ASP A 114 46.521 48.949 -2.977 1.00 39.25 C +ATOM 595 OD1 ASP A 114 45.590 49.777 -3.052 1.00 41.46 O +ATOM 596 OD2 ASP A 114 47.699 49.285 -2.708 1.00 35.06 O +ATOM 597 C ASP A 114 47.706 47.158 -5.285 1.00 34.46 C +ATOM 598 O ASP A 114 48.427 46.153 -5.195 1.00 35.48 O +ATOM 599 N PRO A 115 48.149 48.313 -5.845 1.00 31.78 N +ATOM 600 CA PRO A 115 49.535 48.370 -6.367 1.00 33.00 C +ATOM 601 CB PRO A 115 49.681 49.824 -6.856 1.00 29.86 C +ATOM 602 CG PRO A 115 48.298 50.313 -7.060 1.00 30.39 C +ATOM 603 CD PRO A 115 47.433 49.582 -6.077 1.00 31.28 C +ATOM 604 C PRO A 115 50.649 48.057 -5.342 1.00 33.38 C +ATOM 605 O PRO A 115 51.742 47.650 -5.733 1.00 33.99 O +ATOM 606 N ARG A 116 50.366 48.263 -4.057 1.00 31.33 N +ATOM 607 CA ARG A 116 51.341 48.055 -3.003 1.00 30.45 C +ATOM 608 CB ARG A 116 51.029 48.978 -1.818 1.00 29.39 C +ATOM 609 CG ARG A 116 51.680 50.369 -1.827 1.00 29.89 C +ATOM 610 CD ARG A 116 50.797 51.616 -2.086 1.00 29.94 C +ATOM 611 NE ARG A 116 49.368 51.453 -1.810 1.00 30.30 N +ATOM 612 CZ ARG A 116 48.613 52.210 -1.005 1.00 29.88 C +ATOM 613 NH1 ARG A 116 49.116 53.237 -0.333 1.00 30.99 N +ATOM 614 NH2 ARG A 116 47.321 51.928 -0.873 1.00 29.98 N +ATOM 615 C ARG A 116 51.440 46.604 -2.536 1.00 32.74 C +ATOM 616 O ARG A 116 52.391 46.259 -1.858 1.00 36.60 O +ATOM 617 N GLN A 117 50.471 45.760 -2.889 1.00 34.87 N +ATOM 618 CA GLN A 117 50.539 44.335 -2.541 1.00 35.68 C +ATOM 619 CB GLN A 117 49.145 43.702 -2.600 1.00 33.53 C +ATOM 620 CG GLN A 117 48.165 44.300 -1.591 1.00 33.94 C +ATOM 621 CD GLN A 117 46.726 43.786 -1.694 1.00 31.54 C +ATOM 622 OE1 GLN A 117 46.111 43.794 -2.784 1.00 30.27 O +ATOM 623 NE2 GLN A 117 46.169 43.364 -0.539 1.00 24.82 N +ATOM 624 C GLN A 117 51.535 43.609 -3.466 1.00 40.28 C +ATOM 625 O GLN A 117 51.681 43.941 -4.647 1.00 46.45 O +ATOM 626 N SER A 118 52.245 42.638 -2.906 1.00 40.69 N +ATOM 627 CA SER A 118 53.252 41.869 -3.646 1.00 35.94 C +ATOM 628 CB SER A 118 54.269 41.288 -2.668 1.00 38.14 C +ATOM 629 OG SER A 118 54.932 40.162 -3.202 1.00 39.24 O +ATOM 630 C SER A 118 52.618 40.746 -4.488 1.00 35.41 C +ATOM 631 O SER A 118 51.922 39.877 -3.963 1.00 30.15 O +ATOM 632 N THR A 119 52.884 40.766 -5.788 1.00 34.85 N +ATOM 633 CA THR A 119 52.562 39.649 -6.687 1.00 36.01 C +ATOM 634 CB THR A 119 52.988 39.942 -8.146 1.00 38.07 C +ATOM 635 OG1 THR A 119 52.540 41.241 -8.535 1.00 41.90 O +ATOM 636 CG2 THR A 119 52.428 38.900 -9.120 1.00 36.81 C +ATOM 637 C THR A 119 53.252 38.340 -6.273 1.00 36.08 C +ATOM 638 O THR A 119 52.666 37.270 -6.408 1.00 39.22 O +ATOM 639 N ALA A 120 54.487 38.426 -5.782 1.00 32.27 N +ATOM 640 CA ALA A 120 55.211 37.234 -5.297 1.00 31.20 C +ATOM 641 CB ALA A 120 56.676 37.542 -5.032 1.00 28.16 C +ATOM 642 C ALA A 120 54.553 36.675 -4.050 1.00 29.93 C +ATOM 643 O ALA A 120 54.369 35.463 -3.918 1.00 33.76 O +ATOM 644 N ALA A 121 54.195 37.564 -3.138 1.00 30.90 N +ATOM 645 CA ALA A 121 53.410 37.182 -1.969 1.00 32.03 C +ATOM 646 CB ALA A 121 53.069 38.396 -1.129 1.00 31.37 C +ATOM 647 C ALA A 121 52.142 36.442 -2.386 1.00 31.50 C +ATOM 648 O ALA A 121 51.898 35.330 -1.914 1.00 34.14 O +ATOM 649 N ALA A 122 51.367 37.018 -3.306 1.00 32.83 N +ATOM 650 CA ALA A 122 50.101 36.384 -3.757 1.00 33.00 C +ATOM 651 CB ALA A 122 49.323 37.317 -4.679 1.00 32.18 C +ATOM 652 C ALA A 122 50.348 35.041 -4.440 1.00 31.74 C +ATOM 653 O ALA A 122 49.576 34.113 -4.284 1.00 34.80 O +ATOM 654 N ALA A 123 51.439 34.950 -5.187 1.00 31.68 N +ATOM 655 CA ALA A 123 51.870 33.688 -5.783 1.00 33.06 C +ATOM 656 CB ALA A 123 53.004 33.931 -6.747 1.00 29.51 C +ATOM 657 C ALA A 123 52.273 32.623 -4.751 1.00 36.28 C +ATOM 658 O ALA A 123 52.002 31.449 -4.966 1.00 34.68 O +ATOM 659 N GLU A 124 52.917 33.025 -3.655 1.00 39.69 N +ATOM 660 CA GLU A 124 53.263 32.084 -2.577 1.00 45.09 C +ATOM 661 CB GLU A 124 54.157 32.736 -1.516 1.00 46.37 C +ATOM 662 CG GLU A 124 55.644 32.681 -1.768 1.00 51.62 C +ATOM 663 CD GLU A 124 56.460 33.206 -0.576 1.00 62.59 C +ATOM 664 OE1 GLU A 124 56.034 34.194 0.079 1.00 66.81 O +ATOM 665 OE2 GLU A 124 57.528 32.623 -0.260 1.00 64.58 O +ATOM 666 C GLU A 124 52.005 31.451 -1.894 1.00 44.15 C +ATOM 667 O GLU A 124 51.949 30.218 -1.678 1.00 39.12 O +ATOM 668 N ILE A 125 51.006 32.273 -1.571 1.00 39.39 N +ATOM 669 CA ILE A 125 49.771 31.717 -0.980 1.00 43.69 C +ATOM 670 CB ILE A 125 48.852 32.773 -0.325 1.00 45.06 C +ATOM 671 CG1 ILE A 125 47.681 32.079 0.388 1.00 46.21 C +ATOM 672 CD1 ILE A 125 47.063 32.919 1.472 1.00 49.38 C +ATOM 673 CG2 ILE A 125 48.343 33.796 -1.334 1.00 46.56 C +ATOM 674 C ILE A 125 48.984 30.856 -1.975 1.00 40.43 C +ATOM 675 O ILE A 125 48.522 29.769 -1.643 1.00 41.38 O +ATOM 676 N LYS A 126 48.868 31.334 -3.202 1.00 41.37 N +ATOM 677 CA LYS A 126 48.246 30.567 -4.268 1.00 37.88 C +ATOM 678 CB LYS A 126 48.301 31.386 -5.561 1.00 40.77 C +ATOM 679 CG LYS A 126 47.756 30.710 -6.794 1.00 40.14 C +ATOM 680 CD LYS A 126 47.669 31.688 -7.944 1.00 42.19 C +ATOM 681 CE LYS A 126 47.089 31.063 -9.207 1.00 47.60 C +ATOM 682 NZ LYS A 126 46.448 29.714 -9.058 1.00 48.14 N +ATOM 683 C LYS A 126 48.911 29.207 -4.451 1.00 38.22 C +ATOM 684 O LYS A 126 48.230 28.209 -4.614 1.00 38.24 O +ATOM 685 N ARG A 127 50.240 29.181 -4.410 1.00 37.00 N +ATOM 686 CA ARG A 127 51.012 27.947 -4.544 1.00 38.40 C +ATOM 687 CB ARG A 127 52.517 28.266 -4.518 1.00 39.97 C +ATOM 688 CG ARG A 127 53.458 27.070 -4.572 1.00 45.38 C +ATOM 689 CD ARG A 127 54.912 27.436 -4.265 1.00 50.08 C +ATOM 690 NE ARG A 127 55.540 26.505 -3.315 1.00 54.50 N +ATOM 691 CZ ARG A 127 55.969 25.269 -3.597 1.00 58.62 C +ATOM 692 NH1 ARG A 127 55.876 24.749 -4.829 1.00 55.60 N +ATOM 693 NH2 ARG A 127 56.507 24.535 -2.623 1.00 57.69 N +ATOM 694 C ARG A 127 50.624 26.964 -3.439 1.00 37.97 C +ATOM 695 O ARG A 127 50.261 25.814 -3.724 1.00 36.31 O +ATOM 696 N ASN A 128 50.664 27.425 -2.189 1.00 35.94 N +ATOM 697 CA ASN A 128 50.319 26.568 -1.061 1.00 37.59 C +ATOM 698 CB ASN A 128 50.787 27.172 0.251 1.00 40.05 C +ATOM 699 CG ASN A 128 52.254 26.948 0.478 1.00 39.38 C +ATOM 700 OD1 ASN A 128 52.680 25.847 0.859 1.00 44.24 O +ATOM 701 ND2 ASN A 128 53.042 27.974 0.219 1.00 40.04 N +ATOM 702 C ASN A 128 48.844 26.203 -0.968 1.00 34.26 C +ATOM 703 O ASN A 128 48.531 25.098 -0.519 1.00 32.36 O +ATOM 704 N TYR A 129 47.961 27.113 -1.388 1.00 35.77 N +ATOM 705 CA TYR A 129 46.537 26.798 -1.528 1.00 37.15 C +ATOM 706 CB TYR A 129 45.732 27.971 -2.096 1.00 39.17 C +ATOM 707 CG TYR A 129 44.350 27.548 -2.557 1.00 40.89 C +ATOM 708 CD1 TYR A 129 43.322 27.337 -1.643 1.00 41.69 C +ATOM 709 CE1 TYR A 129 42.060 26.929 -2.067 1.00 40.27 C +ATOM 710 CZ TYR A 129 41.821 26.724 -3.421 1.00 41.77 C +ATOM 711 OH TYR A 129 40.586 26.322 -3.865 1.00 38.80 O +ATOM 712 CE2 TYR A 129 42.833 26.919 -4.345 1.00 39.26 C +ATOM 713 CD2 TYR A 129 44.080 27.325 -3.911 1.00 40.41 C +ATOM 714 C TYR A 129 46.367 25.601 -2.444 1.00 39.92 C +ATOM 715 O TYR A 129 45.701 24.645 -2.083 1.00 43.29 O +ATOM 716 N ASP A 130 46.969 25.680 -3.634 1.00 40.03 N +ATOM 717 CA ASP A 130 46.860 24.633 -4.648 1.00 37.69 C +ATOM 718 CB ASP A 130 47.601 25.017 -5.942 1.00 39.23 C +ATOM 719 CG ASP A 130 46.918 26.150 -6.724 1.00 39.49 C +ATOM 720 OD1 ASP A 130 45.671 26.247 -6.737 1.00 39.63 O +ATOM 721 OD2 ASP A 130 47.652 26.940 -7.363 1.00 41.63 O +ATOM 722 C ASP A 130 47.375 23.284 -4.151 1.00 39.91 C +ATOM 723 O ASP A 130 46.757 22.258 -4.438 1.00 35.53 O +ATOM 724 N ILE A 131 48.491 23.273 -3.411 1.00 39.64 N +ATOM 725 CA ILE A 131 49.030 22.008 -2.889 1.00 38.93 C +ATOM 726 CB ILE A 131 50.407 22.176 -2.215 1.00 39.70 C +ATOM 727 CG1 ILE A 131 51.470 22.578 -3.247 1.00 41.74 C +ATOM 728 CD1 ILE A 131 52.793 22.996 -2.641 1.00 42.26 C +ATOM 729 CG2 ILE A 131 50.849 20.870 -1.556 1.00 37.46 C +ATOM 730 C ILE A 131 48.040 21.369 -1.907 1.00 39.20 C +ATOM 731 O ILE A 131 47.759 20.172 -1.988 1.00 34.84 O +ATOM 732 N TYR A 132 47.514 22.185 -0.996 1.00 42.35 N +ATOM 733 CA TYR A 132 46.603 21.714 0.053 1.00 40.79 C +ATOM 734 CB TYR A 132 46.447 22.787 1.144 1.00 37.91 C +ATOM 735 CG TYR A 132 45.592 22.427 2.351 1.00 35.48 C +ATOM 736 CD1 TYR A 132 45.545 21.119 2.854 1.00 34.56 C +ATOM 737 CE1 TYR A 132 44.776 20.805 3.966 1.00 37.82 C +ATOM 738 CZ TYR A 132 44.052 21.810 4.613 1.00 40.60 C +ATOM 739 OH TYR A 132 43.288 21.517 5.721 1.00 38.16 O +ATOM 740 CE2 TYR A 132 44.095 23.112 4.138 1.00 42.27 C +ATOM 741 CD2 TYR A 132 44.868 23.414 3.020 1.00 37.33 C +ATOM 742 C TYR A 132 45.256 21.320 -0.547 1.00 41.98 C +ATOM 743 O TYR A 132 44.744 20.224 -0.275 1.00 45.31 O +ATOM 744 N HIS A 133 44.710 22.205 -1.384 1.00 41.94 N +ATOM 745 CA HIS A 133 43.486 21.926 -2.131 1.00 40.14 C +ATOM 746 CB HIS A 133 43.181 23.009 -3.166 1.00 41.53 C +ATOM 747 CG HIS A 133 42.085 22.618 -4.117 1.00 46.61 C +ATOM 748 ND1 HIS A 133 42.340 22.033 -5.336 1.00 47.46 N +ATOM 749 CE1 HIS A 133 41.199 21.750 -5.939 1.00 52.13 C +ATOM 750 NE2 HIS A 133 40.208 22.113 -5.144 1.00 49.23 N +ATOM 751 CD2 HIS A 133 40.733 22.649 -3.992 1.00 47.26 C +ATOM 752 C HIS A 133 43.567 20.594 -2.851 1.00 40.74 C +ATOM 753 O HIS A 133 42.634 19.778 -2.755 1.00 42.39 O +ATOM 754 N ASN A 134 44.675 20.384 -3.570 1.00 37.91 N +ATOM 755 CA ASN A 134 44.850 19.183 -4.391 1.00 39.86 C +ATOM 756 CB ASN A 134 46.057 19.313 -5.340 1.00 42.58 C +ATOM 757 CG ASN A 134 45.832 20.323 -6.481 1.00 42.94 C +ATOM 758 OD1 ASN A 134 46.700 20.492 -7.332 1.00 44.55 O +ATOM 759 ND2 ASN A 134 44.687 21.003 -6.491 1.00 37.96 N +ATOM 760 C ASN A 134 44.983 17.934 -3.531 1.00 38.55 C +ATOM 761 O ASN A 134 44.343 16.917 -3.809 1.00 38.22 O +ATOM 762 N ALA A 135 45.777 18.019 -2.469 1.00 39.53 N +ATOM 763 CA ALA A 135 45.891 16.911 -1.539 1.00 38.98 C +ATOM 764 CB ALA A 135 46.835 17.261 -0.395 1.00 40.88 C +ATOM 765 C ALA A 135 44.518 16.491 -1.002 1.00 38.49 C +ATOM 766 O ALA A 135 44.260 15.300 -0.869 1.00 39.52 O +ATOM 767 N LEU A 136 43.640 17.448 -0.726 1.00 36.28 N +ATOM 768 CA LEU A 136 42.288 17.122 -0.246 1.00 41.45 C +ATOM 769 CB LEU A 136 41.576 18.353 0.341 1.00 42.15 C +ATOM 770 CG LEU A 136 42.096 18.900 1.669 1.00 40.28 C +ATOM 771 CD1 LEU A 136 41.146 19.971 2.155 1.00 43.06 C +ATOM 772 CD2 LEU A 136 42.220 17.813 2.721 1.00 40.83 C +ATOM 773 C LEU A 136 41.418 16.488 -1.322 1.00 41.60 C +ATOM 774 O LEU A 136 40.698 15.531 -1.036 1.00 40.38 O +ATOM 775 N ALA A 137 41.493 17.004 -2.549 1.00 42.70 N +ATOM 776 CA ALA A 137 40.831 16.362 -3.705 1.00 41.10 C +ATOM 777 CB ALA A 137 41.011 17.208 -4.951 1.00 39.26 C +ATOM 778 C ALA A 137 41.346 14.939 -3.956 1.00 39.95 C +ATOM 779 O ALA A 137 40.603 14.067 -4.387 1.00 46.80 O +ATOM 780 N GLU A 138 42.622 14.715 -3.684 1.00 39.65 N +ATOM 781 CA GLU A 138 43.233 13.388 -3.800 1.00 43.84 C +ATOM 782 CB GLU A 138 44.754 13.535 -3.753 1.00 50.57 C +ATOM 783 CG GLU A 138 45.558 12.356 -4.292 1.00 56.15 C +ATOM 784 CD GLU A 138 46.904 12.785 -4.879 1.00 65.39 C +ATOM 785 OE1 GLU A 138 47.479 13.773 -4.369 1.00 72.74 O +ATOM 786 OE2 GLU A 138 47.380 12.154 -5.859 1.00 75.72 O +ATOM 787 C GLU A 138 42.751 12.435 -2.702 1.00 44.54 C +ATOM 788 O GLU A 138 42.608 11.246 -2.932 1.00 47.21 O +ATOM 789 N LEU A 139 42.499 12.958 -1.507 1.00 41.49 N +ATOM 790 CA LEU A 139 41.942 12.156 -0.413 1.00 39.72 C +ATOM 791 CB LEU A 139 41.958 12.951 0.893 1.00 38.66 C +ATOM 792 CG LEU A 139 43.317 13.208 1.545 1.00 37.21 C +ATOM 793 CD1 LEU A 139 43.141 14.195 2.683 1.00 37.48 C +ATOM 794 CD2 LEU A 139 43.960 11.936 2.057 1.00 36.45 C +ATOM 795 C LEU A 139 40.532 11.636 -0.703 1.00 40.97 C +ATOM 796 O LEU A 139 40.208 10.500 -0.373 1.00 41.82 O +ATOM 797 N ILE A 140 39.701 12.462 -1.331 1.00 45.19 N +ATOM 798 CA ILE A 140 38.368 12.032 -1.805 1.00 44.08 C +ATOM 799 CB ILE A 140 37.622 13.190 -2.530 1.00 43.54 C +ATOM 800 CG1 ILE A 140 37.196 14.257 -1.516 1.00 45.56 C +ATOM 801 CD1 ILE A 140 36.918 15.615 -2.119 1.00 47.18 C +ATOM 802 CG2 ILE A 140 36.399 12.692 -3.300 1.00 41.92 C +ATOM 803 C ILE A 140 38.483 10.800 -2.712 1.00 43.62 C +ATOM 804 O ILE A 140 37.726 9.847 -2.537 1.00 42.93 O +ATOM 805 N GLN A 141 39.432 10.814 -3.646 1.00 43.77 N +ATOM 806 CA GLN A 141 39.611 9.704 -4.593 1.00 43.41 C +ATOM 807 CB GLN A 141 40.588 10.054 -5.739 1.00 46.71 C +ATOM 808 CG GLN A 141 40.296 11.299 -6.545 1.00 50.67 C +ATOM 809 CD GLN A 141 38.935 11.274 -7.213 1.00 50.72 C +ATOM 810 OE1 GLN A 141 38.698 10.501 -8.151 1.00 49.06 O +ATOM 811 NE2 GLN A 141 38.031 12.129 -6.736 1.00 49.45 N +ATOM 812 C GLN A 141 40.107 8.432 -3.911 1.00 39.72 C +ATOM 813 O GLN A 141 39.620 7.350 -4.216 1.00 33.90 O +ATOM 814 N LEU A 142 41.055 8.557 -2.983 1.00 41.17 N +ATOM 815 CA LEU A 142 41.594 7.379 -2.286 1.00 41.84 C +ATOM 816 CB LEU A 142 42.634 7.753 -1.222 1.00 43.06 C +ATOM 817 CG LEU A 142 44.144 7.822 -1.544 1.00 45.87 C +ATOM 818 CD1 LEU A 142 44.622 6.688 -2.453 1.00 45.00 C +ATOM 819 CD2 LEU A 142 44.509 9.164 -2.142 1.00 45.31 C +ATOM 820 C LEU A 142 40.496 6.589 -1.588 1.00 38.89 C +ATOM 821 O LEU A 142 40.445 5.356 -1.678 1.00 34.10 O +ATOM 822 N LEU A 143 39.636 7.321 -0.891 1.00 40.17 N +ATOM 823 CA LEU A 143 38.635 6.726 -0.030 1.00 45.76 C +ATOM 824 CB LEU A 143 38.099 7.764 0.976 1.00 45.87 C +ATOM 825 CG LEU A 143 37.415 7.229 2.240 1.00 48.22 C +ATOM 826 CD1 LEU A 143 38.328 6.273 3.018 1.00 50.18 C +ATOM 827 CD2 LEU A 143 36.960 8.371 3.122 1.00 47.93 C +ATOM 828 C LEU A 143 37.523 6.133 -0.889 1.00 48.67 C +ATOM 829 O LEU A 143 37.061 5.021 -0.617 1.00 52.65 O +ATOM 830 N GLY A 144 37.138 6.855 -1.944 1.00 49.01 N +ATOM 831 CA GLY A 144 36.247 6.330 -2.987 1.00 46.61 C +ATOM 832 C GLY A 144 36.738 5.050 -3.655 1.00 46.49 C +ATOM 833 O GLY A 144 35.926 4.232 -4.094 1.00 45.21 O +ATOM 834 N ALA A 145 38.065 4.890 -3.730 1.00 45.36 N +ATOM 835 CA ALA A 145 38.714 3.660 -4.208 1.00 41.51 C +ATOM 836 CB ALA A 145 39.906 4.023 -5.084 1.00 41.32 C +ATOM 837 C ALA A 145 39.157 2.708 -3.077 1.00 38.87 C +ATOM 838 O ALA A 145 39.993 1.842 -3.307 1.00 36.16 O +ATOM 839 N GLY A 146 38.598 2.864 -1.880 1.00 40.73 N +ATOM 840 CA GLY A 146 38.842 1.961 -0.779 1.00 45.54 C +ATOM 841 C GLY A 146 40.216 1.903 -0.135 1.00 50.26 C +ATOM 842 O GLY A 146 40.351 1.238 0.906 1.00 52.40 O +ATOM 843 N LYS A 147 41.218 2.575 -0.707 1.00 56.21 N +ATOM 844 CA LYS A 147 42.590 2.395 -0.247 1.00 59.66 C +ATOM 845 CB LYS A 147 43.616 2.729 -1.335 1.00 64.49 C +ATOM 846 CG LYS A 147 44.927 1.945 -1.225 1.00 70.02 C +ATOM 847 CD LYS A 147 45.282 1.387 0.162 1.00 72.18 C +ATOM 848 CE LYS A 147 46.649 0.716 0.221 1.00 75.77 C +ATOM 849 NZ LYS A 147 46.875 -0.311 -0.843 1.00 76.73 N +ATOM 850 C LYS A 147 42.768 3.240 1.001 1.00 57.04 C +ATOM 851 O LYS A 147 43.211 4.377 0.927 1.00 52.36 O +ATOM 852 N ILE A 148 42.398 2.668 2.150 1.00 55.38 N +ATOM 853 CA ILE A 148 42.542 3.323 3.455 1.00 51.87 C +ATOM 854 CB ILE A 148 41.968 2.433 4.592 1.00 51.69 C +ATOM 855 CG1 ILE A 148 41.893 3.209 5.915 1.00 52.49 C +ATOM 856 CD1 ILE A 148 41.038 4.460 5.867 1.00 54.36 C +ATOM 857 CG2 ILE A 148 42.774 1.140 4.778 1.00 52.07 C +ATOM 858 C ILE A 148 43.977 3.763 3.814 1.00 51.56 C +ATOM 859 O ILE A 148 44.173 4.876 4.316 1.00 50.74 O +ATOM 860 N ASN A 149 44.964 2.905 3.554 1.00 50.50 N +ATOM 861 CA ASN A 149 46.338 3.129 4.027 1.00 50.61 C +ATOM 862 CB ASN A 149 47.227 1.894 3.801 1.00 50.77 C +ATOM 863 CG ASN A 149 46.919 0.763 4.768 1.00 51.00 C +ATOM 864 OD1 ASN A 149 46.643 0.995 5.947 1.00 50.66 O +ATOM 865 ND2 ASN A 149 47.009 -0.476 4.283 1.00 47.70 N +ATOM 866 C ASN A 149 46.995 4.343 3.392 1.00 50.16 C +ATOM 867 O ASN A 149 47.620 5.131 4.086 1.00 53.70 O +ATOM 868 N GLU A 150 46.853 4.491 2.081 1.00 48.68 N +ATOM 869 CA GLU A 150 47.459 5.623 1.362 1.00 49.07 C +ATOM 870 CB GLU A 150 47.460 5.367 -0.159 1.00 53.73 C +ATOM 871 CG GLU A 150 48.389 4.232 -0.580 1.00 58.79 C +ATOM 872 CD GLU A 150 48.507 4.071 -2.089 1.00 61.26 C +ATOM 873 OE1 GLU A 150 48.834 5.071 -2.769 1.00 61.58 O +ATOM 874 OE2 GLU A 150 48.295 2.941 -2.592 1.00 61.70 O +ATOM 875 C GLU A 150 46.816 6.984 1.701 1.00 44.20 C +ATOM 876 O GLU A 150 47.441 8.012 1.584 1.00 42.23 O +ATOM 877 N PHE A 151 45.570 6.958 2.128 1.00 42.17 N +ATOM 878 CA PHE A 151 44.806 8.096 2.581 1.00 42.64 C +ATOM 879 CB PHE A 151 43.340 7.642 2.586 1.00 39.46 C +ATOM 880 CG PHE A 151 42.395 8.539 3.333 1.00 36.95 C +ATOM 881 CD1 PHE A 151 42.169 8.379 4.700 1.00 37.30 C +ATOM 882 CE1 PHE A 151 41.278 9.205 5.378 1.00 36.19 C +ATOM 883 CZ PHE A 151 40.591 10.193 4.691 1.00 36.39 C +ATOM 884 CE2 PHE A 151 40.801 10.354 3.329 1.00 36.89 C +ATOM 885 CD2 PHE A 151 41.701 9.525 2.658 1.00 35.01 C +ATOM 886 C PHE A 151 45.288 8.538 3.957 1.00 44.88 C +ATOM 887 O PHE A 151 45.547 9.739 4.167 1.00 42.81 O +ATOM 888 N PHE A 152 45.409 7.583 4.874 1.00 44.28 N +ATOM 889 CA PHE A 152 46.053 7.890 6.140 1.00 42.51 C +ATOM 890 CB PHE A 152 45.935 6.752 7.153 1.00 43.98 C +ATOM 891 CG PHE A 152 46.082 7.209 8.563 1.00 45.51 C +ATOM 892 CD1 PHE A 152 45.086 7.997 9.128 1.00 48.02 C +ATOM 893 CE1 PHE A 152 45.195 8.457 10.426 1.00 47.62 C +ATOM 894 CZ PHE A 152 46.323 8.144 11.166 1.00 47.19 C +ATOM 895 CE2 PHE A 152 47.330 7.366 10.611 1.00 44.33 C +ATOM 896 CD2 PHE A 152 47.211 6.904 9.312 1.00 43.74 C +ATOM 897 C PHE A 152 47.520 8.322 6.008 1.00 41.23 C +ATOM 898 O PHE A 152 47.954 9.152 6.793 1.00 38.82 O +ATOM 899 N ASP A 153 48.278 7.784 5.053 1.00 43.66 N +ATOM 900 CA ASP A 153 49.698 8.138 4.911 1.00 43.73 C +ATOM 901 CB ASP A 153 50.508 6.979 4.240 1.00 50.35 C +ATOM 902 CG ASP A 153 51.293 6.110 5.244 1.00 59.73 C +ATOM 903 OD1 ASP A 153 51.499 6.529 6.407 1.00 71.51 O +ATOM 904 OD2 ASP A 153 51.699 4.986 4.856 1.00 63.45 O +ATOM 905 C ASP A 153 50.026 9.457 4.206 1.00 38.29 C +ATOM 906 O ASP A 153 51.188 9.850 4.183 1.00 37.66 O +ATOM 907 N GLN A 154 49.040 10.150 3.655 1.00 34.72 N +ATOM 908 CA GLN A 154 49.327 11.359 2.901 1.00 34.48 C +ATOM 909 CB GLN A 154 48.077 11.834 2.148 1.00 31.42 C +ATOM 910 CG GLN A 154 48.298 12.980 1.161 1.00 29.31 C +ATOM 911 CD GLN A 154 47.010 13.759 0.874 1.00 31.93 C +ATOM 912 OE1 GLN A 154 46.451 14.410 1.758 1.00 32.37 O +ATOM 913 NE2 GLN A 154 46.566 13.741 -0.377 1.00 30.97 N +ATOM 914 C GLN A 154 49.792 12.411 3.910 1.00 33.53 C +ATOM 915 O GLN A 154 49.106 12.626 4.913 1.00 28.50 O +ATOM 916 N PRO A 155 50.957 13.056 3.668 1.00 31.35 N +ATOM 917 CA PRO A 155 51.442 14.090 4.596 1.00 30.13 C +ATOM 918 CB PRO A 155 52.885 14.291 4.138 1.00 28.06 C +ATOM 919 CG PRO A 155 52.812 14.085 2.669 1.00 28.33 C +ATOM 920 CD PRO A 155 51.828 12.968 2.477 1.00 29.69 C +ATOM 921 C PRO A 155 50.617 15.387 4.479 1.00 30.73 C +ATOM 922 O PRO A 155 51.148 16.453 4.103 1.00 33.05 O +ATOM 923 N THR A 156 49.330 15.284 4.808 1.00 31.08 N +ATOM 924 CA THR A 156 48.372 16.365 4.588 1.00 32.05 C +ATOM 925 CB THR A 156 46.901 15.903 4.759 1.00 31.78 C +ATOM 926 OG1 THR A 156 46.724 14.575 4.246 1.00 29.86 O +ATOM 927 CG2 THR A 156 45.934 16.880 4.049 1.00 34.19 C +ATOM 928 C THR A 156 48.630 17.485 5.592 1.00 34.78 C +ATOM 929 O THR A 156 48.398 18.664 5.289 1.00 38.72 O +ATOM 930 N GLN A 157 49.080 17.096 6.790 1.00 29.20 N +ATOM 931 CA GLN A 157 49.465 18.044 7.824 1.00 30.92 C +ATOM 932 CB GLN A 157 49.994 17.311 9.076 1.00 30.51 C +ATOM 933 CG GLN A 157 50.052 18.165 10.334 1.00 29.85 C +ATOM 934 CD GLN A 157 48.741 18.894 10.634 1.00 32.53 C +ATOM 935 OE1 GLN A 157 47.662 18.303 10.635 1.00 32.46 O +ATOM 936 NE2 GLN A 157 48.833 20.195 10.851 1.00 38.57 N +ATOM 937 C GLN A 157 50.509 19.036 7.304 1.00 31.36 C +ATOM 938 O GLN A 157 50.374 20.245 7.510 1.00 28.13 O +ATOM 939 N GLY A 158 51.511 18.513 6.593 1.00 31.62 N +ATOM 940 CA GLY A 158 52.538 19.317 5.957 1.00 30.91 C +ATOM 941 C GLY A 158 51.957 20.325 4.994 1.00 33.71 C +ATOM 942 O GLY A 158 52.309 21.514 5.049 1.00 33.76 O +ATOM 943 N TYR A 159 51.048 19.862 4.131 1.00 33.70 N +ATOM 944 CA TYR A 159 50.446 20.727 3.112 1.00 32.73 C +ATOM 945 CB TYR A 159 49.647 19.915 2.099 1.00 35.29 C +ATOM 946 CG TYR A 159 50.415 18.798 1.413 1.00 33.53 C +ATOM 947 CD1 TYR A 159 51.723 18.988 0.964 1.00 31.82 C +ATOM 948 CE1 TYR A 159 52.413 17.971 0.330 1.00 32.98 C +ATOM 949 CZ TYR A 159 51.802 16.738 0.138 1.00 33.61 C +ATOM 950 OH TYR A 159 52.497 15.730 -0.487 1.00 34.54 O +ATOM 951 CE2 TYR A 159 50.503 16.528 0.564 1.00 32.76 C +ATOM 952 CD2 TYR A 159 49.815 17.556 1.188 1.00 32.67 C +ATOM 953 C TYR A 159 49.547 21.804 3.723 1.00 34.71 C +ATOM 954 O TYR A 159 49.553 22.951 3.258 1.00 40.59 O +ATOM 955 N GLN A 160 48.780 21.447 4.753 1.00 33.72 N +ATOM 956 CA GLN A 160 47.980 22.428 5.499 1.00 33.53 C +ATOM 957 CB GLN A 160 47.080 21.742 6.536 1.00 33.52 C +ATOM 958 CG GLN A 160 46.243 22.703 7.379 1.00 31.97 C +ATOM 959 CD GLN A 160 45.359 21.980 8.359 1.00 32.24 C +ATOM 960 OE1 GLN A 160 44.549 21.138 7.974 1.00 37.01 O +ATOM 961 NE2 GLN A 160 45.510 22.280 9.627 1.00 34.01 N +ATOM 962 C GLN A 160 48.872 23.465 6.204 1.00 36.16 C +ATOM 963 O GLN A 160 48.583 24.676 6.178 1.00 36.35 O +ATOM 964 N ASP A 161 49.930 22.982 6.854 1.00 31.61 N +ATOM 965 CA ASP A 161 50.857 23.874 7.554 1.00 34.47 C +ATOM 966 CB ASP A 161 51.934 23.078 8.308 1.00 36.93 C +ATOM 967 CG ASP A 161 51.360 22.232 9.469 1.00 40.54 C +ATOM 968 OD1 ASP A 161 50.256 22.548 9.979 1.00 47.55 O +ATOM 969 OD2 ASP A 161 52.014 21.235 9.869 1.00 44.79 O +ATOM 970 C ASP A 161 51.480 24.877 6.583 1.00 34.10 C +ATOM 971 O ASP A 161 51.563 26.073 6.890 1.00 35.84 O +ATOM 972 N GLY A 162 51.876 24.385 5.404 1.00 34.19 N +ATOM 973 CA GLY A 162 52.360 25.230 4.312 1.00 33.66 C +ATOM 974 C GLY A 162 51.414 26.370 4.001 1.00 33.70 C +ATOM 975 O GLY A 162 51.830 27.524 3.899 1.00 37.87 O +ATOM 976 N PHE A 163 50.134 26.041 3.877 1.00 35.41 N +ATOM 977 CA PHE A 163 49.096 27.040 3.641 1.00 35.94 C +ATOM 978 CB PHE A 163 47.768 26.377 3.251 1.00 38.80 C +ATOM 979 CG PHE A 163 46.672 27.355 2.988 1.00 40.43 C +ATOM 980 CD1 PHE A 163 46.577 27.991 1.762 1.00 44.54 C +ATOM 981 CE1 PHE A 163 45.575 28.909 1.515 1.00 46.19 C +ATOM 982 CZ PHE A 163 44.657 29.209 2.509 1.00 52.57 C +ATOM 983 CE2 PHE A 163 44.752 28.578 3.743 1.00 53.24 C +ATOM 984 CD2 PHE A 163 45.755 27.656 3.970 1.00 44.34 C +ATOM 985 C PHE A 163 48.911 27.961 4.841 1.00 33.32 C +ATOM 986 O PHE A 163 48.840 29.168 4.679 1.00 31.59 O +ATOM 987 N GLU A 164 48.847 27.399 6.040 1.00 36.08 N +ATOM 988 CA GLU A 164 48.604 28.212 7.235 1.00 37.30 C +ATOM 989 CB GLU A 164 48.576 27.359 8.501 1.00 40.81 C +ATOM 990 CG GLU A 164 48.099 28.107 9.742 1.00 44.30 C +ATOM 991 CD GLU A 164 47.643 27.177 10.868 1.00 45.27 C +ATOM 992 OE1 GLU A 164 47.924 25.954 10.814 1.00 46.90 O +ATOM 993 OE2 GLU A 164 46.990 27.665 11.818 1.00 46.65 O +ATOM 994 C GLU A 164 49.669 29.291 7.362 1.00 36.54 C +ATOM 995 O GLU A 164 49.332 30.462 7.583 1.00 33.98 O +ATOM 996 N LYS A 165 50.938 28.879 7.196 1.00 36.58 N +ATOM 997 CA LYS A 165 52.083 29.796 7.233 1.00 34.95 C +ATOM 998 CB LYS A 165 53.415 29.059 6.979 1.00 39.56 C +ATOM 999 CG LYS A 165 53.898 28.171 8.118 1.00 46.12 C +ATOM 1000 CD LYS A 165 55.419 27.953 8.090 1.00 51.89 C +ATOM 1001 CE LYS A 165 55.792 26.488 8.317 1.00 55.64 C +ATOM 1002 NZ LYS A 165 55.434 25.607 7.157 1.00 57.23 N +ATOM 1003 C LYS A 165 51.930 30.958 6.245 1.00 32.32 C +ATOM 1004 O LYS A 165 52.069 32.109 6.643 1.00 29.91 O +ATOM 1005 N GLN A 166 51.620 30.669 4.973 1.00 32.40 N +ATOM 1006 CA GLN A 166 51.375 31.741 4.000 1.00 34.19 C +ATOM 1007 CB GLN A 166 51.263 31.216 2.561 1.00 38.56 C +ATOM 1008 CG GLN A 166 52.442 30.411 2.030 1.00 41.79 C +ATOM 1009 CD GLN A 166 53.791 30.972 2.386 1.00 46.21 C +ATOM 1010 OE1 GLN A 166 54.036 32.176 2.225 1.00 50.37 O +ATOM 1011 NE2 GLN A 166 54.684 30.098 2.878 1.00 48.55 N +ATOM 1012 C GLN A 166 50.141 32.570 4.325 1.00 31.54 C +ATOM 1013 O GLN A 166 50.155 33.782 4.145 1.00 26.66 O +ATOM 1014 N TYR A 167 49.085 31.913 4.804 1.00 33.12 N +ATOM 1015 CA TYR A 167 47.842 32.588 5.180 1.00 35.11 C +ATOM 1016 CB TYR A 167 46.775 31.548 5.564 1.00 41.33 C +ATOM 1017 CG TYR A 167 45.556 32.107 6.216 1.00 44.51 C +ATOM 1018 CD1 TYR A 167 44.623 32.816 5.470 1.00 50.59 C +ATOM 1019 CE1 TYR A 167 43.482 33.330 6.063 1.00 48.92 C +ATOM 1020 CZ TYR A 167 43.281 33.159 7.406 1.00 53.37 C +ATOM 1021 OH TYR A 167 42.159 33.694 7.980 1.00 59.33 O +ATOM 1022 CE2 TYR A 167 44.205 32.466 8.176 1.00 50.93 C +ATOM 1023 CD2 TYR A 167 45.335 31.946 7.579 1.00 42.36 C +ATOM 1024 C TYR A 167 48.108 33.612 6.288 1.00 32.92 C +ATOM 1025 O TYR A 167 47.825 34.799 6.140 1.00 36.71 O +ATOM 1026 N VAL A 168 48.717 33.166 7.369 1.00 34.37 N +ATOM 1027 CA VAL A 168 49.081 34.077 8.445 1.00 33.77 C +ATOM 1028 CB VAL A 168 49.683 33.315 9.654 1.00 34.80 C +ATOM 1029 CG1 VAL A 168 50.255 34.289 10.691 1.00 35.19 C +ATOM 1030 CG2 VAL A 168 48.626 32.423 10.322 1.00 32.01 C +ATOM 1031 C VAL A 168 50.018 35.209 7.949 1.00 36.44 C +ATOM 1032 O VAL A 168 49.852 36.365 8.340 1.00 34.48 O +ATOM 1033 N ALA A 169 50.986 34.875 7.095 1.00 38.40 N +ATOM 1034 CA ALA A 169 51.889 35.877 6.497 1.00 35.33 C +ATOM 1035 CB ALA A 169 52.977 35.203 5.682 1.00 31.69 C +ATOM 1036 C ALA A 169 51.136 36.894 5.618 1.00 38.80 C +ATOM 1037 O ALA A 169 51.431 38.091 5.664 1.00 37.65 O +ATOM 1038 N TYR A 170 50.172 36.421 4.823 1.00 37.64 N +ATOM 1039 CA TYR A 170 49.368 37.312 3.983 1.00 39.48 C +ATOM 1040 CB TYR A 170 48.449 36.534 3.032 1.00 42.63 C +ATOM 1041 CG TYR A 170 47.686 37.396 2.030 1.00 47.75 C +ATOM 1042 CD1 TYR A 170 46.447 37.959 2.357 1.00 54.64 C +ATOM 1043 CE1 TYR A 170 45.750 38.746 1.445 1.00 58.85 C +ATOM 1044 CZ TYR A 170 46.281 38.973 0.188 1.00 52.68 C +ATOM 1045 OH TYR A 170 45.594 39.755 -0.709 1.00 58.11 O +ATOM 1046 CE2 TYR A 170 47.502 38.427 -0.154 1.00 51.61 C +ATOM 1047 CD2 TYR A 170 48.194 37.643 0.762 1.00 50.28 C +ATOM 1048 C TYR A 170 48.575 38.279 4.872 1.00 40.59 C +ATOM 1049 O TYR A 170 48.627 39.496 4.648 1.00 44.12 O +ATOM 1050 N MET A 171 47.896 37.749 5.897 1.00 36.54 N +ATOM 1051 CA MET A 171 47.164 38.579 6.870 1.00 37.64 C +ATOM 1052 CB MET A 171 46.567 37.714 7.990 1.00 44.60 C +ATOM 1053 CG MET A 171 45.480 36.740 7.554 1.00 49.35 C +ATOM 1054 SD MET A 171 44.060 37.610 6.897 1.00 62.23 S +ATOM 1055 CE MET A 171 43.465 36.524 5.616 1.00 58.50 C +ATOM 1056 C MET A 171 48.036 39.666 7.497 1.00 39.30 C +ATOM 1057 O MET A 171 47.609 40.802 7.635 1.00 42.55 O +ATOM 1058 N GLU A 172 49.261 39.301 7.865 1.00 45.16 N +ATOM 1059 CA GLU A 172 50.253 40.233 8.419 1.00 43.86 C +ATOM 1060 CB GLU A 172 51.525 39.476 8.850 1.00 41.64 C +ATOM 1061 CG GLU A 172 52.408 40.183 9.860 1.00 49.42 C +ATOM 1062 CD GLU A 172 53.747 39.459 10.126 1.00 53.68 C +ATOM 1063 OE1 GLU A 172 53.793 38.196 10.188 1.00 51.08 O +ATOM 1064 OE2 GLU A 172 54.775 40.162 10.288 1.00 42.71 O +ATOM 1065 C GLU A 172 50.590 41.355 7.422 1.00 41.18 C +ATOM 1066 O GLU A 172 50.688 42.516 7.808 1.00 41.47 O +ATOM 1067 N GLN A 173 50.747 41.009 6.151 1.00 41.15 N +ATOM 1068 CA GLN A 173 51.052 42.008 5.115 1.00 42.65 C +ATOM 1069 CB GLN A 173 51.521 41.330 3.817 1.00 40.21 C +ATOM 1070 CG GLN A 173 52.885 40.690 3.939 1.00 42.41 C +ATOM 1071 CD GLN A 173 53.231 39.770 2.781 1.00 49.32 C +ATOM 1072 OE1 GLN A 173 52.394 38.994 2.290 1.00 52.90 O +ATOM 1073 NE2 GLN A 173 54.476 39.851 2.339 1.00 43.47 N +ATOM 1074 C GLN A 173 49.857 42.933 4.869 1.00 38.41 C +ATOM 1075 O GLN A 173 50.025 44.149 4.803 1.00 34.02 O +ATOM 1076 N ASN A 174 48.663 42.346 4.761 1.00 38.61 N +ATOM 1077 CA ASN A 174 47.410 43.107 4.591 1.00 40.85 C +ATOM 1078 CB ASN A 174 46.207 42.173 4.324 1.00 41.34 C +ATOM 1079 CG ASN A 174 45.958 41.935 2.840 1.00 42.16 C +ATOM 1080 OD1 ASN A 174 46.830 42.149 2.002 1.00 53.88 O +ATOM 1081 ND2 ASN A 174 44.752 41.498 2.513 1.00 46.82 N +ATOM 1082 C ASN A 174 47.084 44.018 5.776 1.00 43.40 C +ATOM 1083 O ASN A 174 46.612 45.137 5.578 1.00 44.47 O +ATOM 1084 N ASP A 175 47.313 43.538 6.998 1.00 45.38 N +ATOM 1085 CA ASP A 175 47.119 44.371 8.191 1.00 46.12 C +ATOM 1086 CB ASP A 175 47.146 43.540 9.486 1.00 50.01 C +ATOM 1087 CG ASP A 175 45.850 42.740 9.715 1.00 52.87 C +ATOM 1088 OD1 ASP A 175 44.756 43.174 9.274 1.00 57.30 O +ATOM 1089 OD2 ASP A 175 45.931 41.670 10.356 1.00 49.58 O +ATOM 1090 C ASP A 175 48.145 45.500 8.253 1.00 44.28 C +ATOM 1091 O ASP A 175 47.814 46.598 8.683 1.00 44.12 O +ATOM 1092 N ARG A 176 49.376 45.244 7.817 1.00 42.49 N +ATOM 1093 CA ARG A 176 50.382 46.305 7.745 1.00 39.56 C +ATOM 1094 CB ARG A 176 51.794 45.748 7.471 1.00 42.14 C +ATOM 1095 CG ARG A 176 52.838 46.834 7.232 1.00 44.51 C +ATOM 1096 CD ARG A 176 54.252 46.507 7.712 1.00 48.61 C +ATOM 1097 NE ARG A 176 55.200 47.458 7.121 1.00 52.45 N +ATOM 1098 CZ ARG A 176 55.353 48.737 7.483 1.00 50.97 C +ATOM 1099 NH1 ARG A 176 54.638 49.276 8.477 1.00 48.50 N +ATOM 1100 NH2 ARG A 176 56.239 49.493 6.838 1.00 51.67 N +ATOM 1101 C ARG A 176 49.989 47.341 6.698 1.00 35.10 C +ATOM 1102 O ARG A 176 50.184 48.537 6.907 1.00 35.03 O +ATOM 1103 N LEU A 177 49.427 46.883 5.585 1.00 32.15 N +ATOM 1104 CA LEU A 177 48.984 47.787 4.522 1.00 34.54 C +ATOM 1105 CB LEU A 177 48.720 47.018 3.220 1.00 33.58 C +ATOM 1106 CG LEU A 177 48.383 47.879 1.990 1.00 31.88 C +ATOM 1107 CD1 LEU A 177 49.479 48.898 1.698 1.00 30.53 C +ATOM 1108 CD2 LEU A 177 48.104 47.016 0.771 1.00 33.44 C +ATOM 1109 C LEU A 177 47.740 48.587 4.954 1.00 34.02 C +ATOM 1110 O LEU A 177 47.687 49.805 4.744 1.00 32.21 O +ATOM 1111 N HIS A 178 46.766 47.895 5.556 1.00 34.80 N +ATOM 1112 CA HIS A 178 45.590 48.519 6.214 1.00 35.40 C +ATOM 1113 CB HIS A 178 44.852 47.494 7.097 1.00 34.70 C +ATOM 1114 CG HIS A 178 43.747 48.082 7.930 1.00 37.15 C +ATOM 1115 ND1 HIS A 178 43.968 48.680 9.155 1.00 35.86 N +ATOM 1116 CE1 HIS A 178 42.819 49.100 9.649 1.00 36.23 C +ATOM 1117 NE2 HIS A 178 41.861 48.787 8.796 1.00 34.71 N +ATOM 1118 CD2 HIS A 178 42.413 48.150 7.715 1.00 34.45 C +ATOM 1119 C HIS A 178 45.982 49.727 7.060 1.00 34.29 C +ATOM 1120 O HIS A 178 45.417 50.810 6.906 1.00 32.46 O +ATOM 1121 N ASP A 179 46.963 49.518 7.936 1.00 36.37 N +ATOM 1122 CA ASP A 179 47.422 50.556 8.860 1.00 40.28 C +ATOM 1123 CB ASP A 179 48.318 49.965 9.967 1.00 43.23 C +ATOM 1124 CG ASP A 179 47.621 48.856 10.786 1.00 46.06 C +ATOM 1125 OD1 ASP A 179 46.370 48.852 10.892 1.00 50.40 O +ATOM 1126 OD2 ASP A 179 48.336 47.975 11.318 1.00 44.68 O +ATOM 1127 C ASP A 179 48.155 51.688 8.127 1.00 39.96 C +ATOM 1128 O ASP A 179 48.017 52.847 8.508 1.00 42.66 O +ATOM 1129 N ILE A 180 48.926 51.362 7.084 1.00 40.35 N +ATOM 1130 CA ILE A 180 49.616 52.396 6.294 1.00 40.51 C +ATOM 1131 CB ILE A 180 50.796 51.845 5.451 1.00 40.78 C +ATOM 1132 CG1 ILE A 180 51.864 52.935 5.257 1.00 42.82 C +ATOM 1133 CD1 ILE A 180 52.568 53.400 6.524 1.00 43.42 C +ATOM 1134 CG2 ILE A 180 50.369 51.368 4.078 1.00 42.36 C +ATOM 1135 C ILE A 180 48.623 53.213 5.456 1.00 39.04 C +ATOM 1136 O ILE A 180 48.823 54.404 5.259 1.00 40.04 O +ATOM 1137 N ALA A 181 47.556 52.573 4.988 1.00 36.57 N +ATOM 1138 CA ALA A 181 46.453 53.272 4.301 1.00 34.22 C +ATOM 1139 CB ALA A 181 45.533 52.277 3.616 1.00 32.81 C +ATOM 1140 C ALA A 181 45.651 54.172 5.253 1.00 35.18 C +ATOM 1141 O ALA A 181 45.346 55.313 4.900 1.00 34.61 O +ATOM 1142 N VAL A 182 45.301 53.662 6.435 1.00 33.88 N +ATOM 1143 CA VAL A 182 44.674 54.476 7.493 1.00 35.42 C +ATOM 1144 CB VAL A 182 44.290 53.597 8.731 1.00 34.73 C +ATOM 1145 CG1 VAL A 182 44.033 54.423 9.999 1.00 31.41 C +ATOM 1146 CG2 VAL A 182 43.092 52.716 8.410 1.00 35.20 C +ATOM 1147 C VAL A 182 45.600 55.627 7.960 1.00 36.67 C +ATOM 1148 O VAL A 182 45.125 56.699 8.354 1.00 36.81 O +ATOM 1149 N SER A 183 46.910 55.382 7.937 1.00 37.15 N +ATOM 1150 CA SER A 183 47.922 56.376 8.343 1.00 39.74 C +ATOM 1151 CB SER A 183 49.281 55.704 8.575 1.00 40.01 C +ATOM 1152 OG SER A 183 50.287 56.643 8.925 1.00 37.72 O +ATOM 1153 C SER A 183 48.088 57.546 7.360 1.00 41.65 C +ATOM 1154 O SER A 183 48.356 58.661 7.785 1.00 40.97 O +ATOM 1155 N ASP A 184 47.961 57.285 6.061 1.00 45.71 N +ATOM 1156 CA ASP A 184 48.009 58.350 5.042 1.00 48.18 C +ATOM 1157 CB ASP A 184 48.220 57.756 3.643 1.00 48.42 C +ATOM 1158 CG ASP A 184 49.555 57.034 3.501 1.00 47.45 C +ATOM 1159 OD1 ASP A 184 50.300 56.911 4.497 1.00 48.54 O +ATOM 1160 OD2 ASP A 184 49.857 56.579 2.381 1.00 45.17 O +ATOM 1161 C ASP A 184 46.744 59.224 5.058 1.00 52.20 C +ATOM 1162 O ASP A 184 46.804 60.410 4.719 1.00 48.26 O +ATOM 1163 N ASN A 185 45.611 58.622 5.438 1.00 58.19 N +ATOM 1164 CA ASN A 185 44.342 59.348 5.685 1.00 59.82 C +ATOM 1165 CB ASN A 185 43.188 58.369 6.043 1.00 61.99 C +ATOM 1166 CG ASN A 185 42.372 58.808 7.260 1.00 63.52 C +ATOM 1167 OD1 ASN A 185 41.454 59.631 7.168 1.00 62.30 O +ATOM 1168 ND2 ASN A 185 42.712 58.244 8.415 1.00 63.24 N +ATOM 1169 C ASN A 185 44.469 60.473 6.730 1.00 57.78 C +ATOM 1170 O ASN A 185 43.931 61.557 6.534 1.00 51.74 O +ATOM 1171 N ASN A 186 45.168 60.196 7.827 1.00 60.98 N +ATOM 1172 CA ASN A 186 45.490 61.208 8.841 1.00 62.66 C +ATOM 1173 CB ASN A 186 45.584 60.716 10.308 1.00 59.24 C +ATOM 1174 CG ASN A 186 44.387 59.875 10.736 1.00 57.21 C +ATOM 1175 OD1 ASN A 186 44.485 58.647 10.849 1.00 54.43 O +ATOM 1176 ND2 ASN A 186 43.256 60.533 10.995 1.00 54.37 N +ATOM 1177 C ASN A 186 46.302 62.452 8.464 1.00 67.48 C +ATOM 1178 O ASN A 186 46.343 63.437 9.205 1.00 69.92 O +ATOM 1179 N ALA A 187 46.967 62.373 7.311 1.00 70.73 N +ATOM 1180 CA ALA A 187 47.595 63.545 6.681 1.00 77.66 C +ATOM 1181 CB ALA A 187 48.615 63.106 5.637 1.00 75.11 C +ATOM 1182 C ALA A 187 46.529 64.432 6.037 1.00 86.12 C +ATOM 1183 O ALA A 187 45.483 63.948 5.608 1.00 89.19 O +ATOM 1184 N SER A 188 46.828 65.730 5.939 1.00 95.44 N +ATOM 1185 CA SER A 188 45.953 66.756 5.315 1.00 94.87 C +ATOM 1186 CB SER A 188 45.719 66.487 3.809 1.00 93.38 C +ATOM 1187 OG SER A 188 46.887 66.751 3.048 1.00 91.34 O +ATOM 1188 C SER A 188 44.623 67.010 6.057 1.00 95.30 C +ATOM 1189 O SER A 188 44.537 67.958 6.843 1.00 94.35 O +ATOM 1190 N TYR A 189 43.615 66.166 5.804 1.00 91.14 N +ATOM 1191 CA TYR A 189 42.220 66.341 6.283 1.00 87.45 C +ATOM 1192 CB TYR A 189 41.756 65.076 7.029 1.00 88.43 C +ATOM 1193 CG TYR A 189 42.076 65.068 8.509 1.00 90.23 C +ATOM 1194 CD1 TYR A 189 43.370 64.801 8.966 1.00 88.91 C +ATOM 1195 CE1 TYR A 189 43.663 64.799 10.324 1.00 87.58 C +ATOM 1196 CZ TYR A 189 42.656 65.067 11.241 1.00 86.71 C +ATOM 1197 OH TYR A 189 42.935 65.067 12.585 1.00 85.51 O +ATOM 1198 CE2 TYR A 189 41.367 65.336 10.814 1.00 87.14 C +ATOM 1199 CD2 TYR A 189 41.082 65.336 9.457 1.00 89.17 C +ATOM 1200 C TYR A 189 41.945 67.592 7.141 1.00 79.59 C +ATOM 1201 O TYR A 189 41.220 68.503 6.723 1.00 70.41 O +TER 1202 TYR A 189 +ATOM 1203 N GLU B 38 34.818 60.352 18.413 1.00101.63 N +ATOM 1204 CA GLU B 38 35.593 59.141 18.839 1.00105.95 C +ATOM 1205 CB GLU B 38 34.770 58.292 19.828 1.00101.88 C +ATOM 1206 CG GLU B 38 35.485 57.067 20.390 1.00 95.14 C +ATOM 1207 CD GLU B 38 34.539 56.084 21.048 1.00 89.32 C +ATOM 1208 OE1 GLU B 38 33.505 56.515 21.605 1.00 93.08 O +ATOM 1209 OE2 GLU B 38 34.835 54.876 21.012 1.00 79.13 O +ATOM 1210 C GLU B 38 36.101 58.336 17.618 1.00114.06 C +ATOM 1211 O GLU B 38 37.194 58.635 17.125 1.00111.77 O +ATOM 1212 N ASN B 39 35.322 57.353 17.131 1.00119.47 N +ATOM 1213 CA ASN B 39 35.712 56.483 15.991 1.00113.92 C +ATOM 1214 CB ASN B 39 35.667 57.286 14.678 1.00118.97 C +ATOM 1215 CG ASN B 39 34.421 58.149 14.556 1.00121.36 C +ATOM 1216 OD1 ASN B 39 34.509 59.371 14.415 1.00116.71 O +ATOM 1217 ND2 ASN B 39 33.256 57.520 14.629 1.00125.68 N +ATOM 1218 C ASN B 39 37.108 55.848 16.171 1.00105.80 C +ATOM 1219 O ASN B 39 37.876 55.716 15.224 1.00103.66 O +ATOM 1220 N PHE B 40 37.418 55.457 17.402 1.00 99.78 N +ATOM 1221 CA PHE B 40 38.819 55.301 17.871 1.00 98.23 C +ATOM 1222 CB PHE B 40 38.998 56.168 19.182 1.00 96.07 C +ATOM 1223 CG PHE B 40 40.248 57.052 19.224 1.00 93.36 C +ATOM 1224 CD1 PHE B 40 41.496 56.528 19.560 1.00 87.46 C +ATOM 1225 CE1 PHE B 40 42.620 57.348 19.617 1.00 83.74 C +ATOM 1226 CZ PHE B 40 42.507 58.710 19.351 1.00 82.14 C +ATOM 1227 CE2 PHE B 40 41.270 59.250 19.032 1.00 83.65 C +ATOM 1228 CD2 PHE B 40 40.149 58.435 18.983 1.00 89.52 C +ATOM 1229 C PHE B 40 39.027 53.786 18.056 1.00 94.30 C +ATOM 1230 O PHE B 40 38.809 53.005 17.124 1.00 84.95 O +ATOM 1231 N THR B 41 39.516 53.419 19.250 1.00 92.93 N +ATOM 1232 CA THR B 41 39.328 52.145 19.965 1.00 89.79 C +ATOM 1233 CB THR B 41 38.833 52.357 21.445 1.00 97.13 C +ATOM 1234 OG1 THR B 41 37.455 52.769 21.488 1.00101.34 O +ATOM 1235 CG2 THR B 41 39.706 53.374 22.199 1.00 96.65 C +ATOM 1236 C THR B 41 38.421 51.125 19.304 1.00 76.35 C +ATOM 1237 O THR B 41 38.840 50.011 19.063 1.00 68.69 O +ATOM 1238 N VAL B 42 37.192 51.528 19.033 1.00 68.09 N +ATOM 1239 CA VAL B 42 36.134 50.605 18.583 1.00 66.93 C +ATOM 1240 CB VAL B 42 34.810 51.352 18.236 1.00 68.46 C +ATOM 1241 CG1 VAL B 42 33.665 50.355 18.065 1.00 67.93 C +ATOM 1242 CG2 VAL B 42 34.494 52.429 19.274 1.00 70.58 C +ATOM 1243 C VAL B 42 36.576 49.772 17.370 1.00 63.72 C +ATOM 1244 O VAL B 42 36.334 48.554 17.317 1.00 66.15 O +ATOM 1245 N LEU B 43 37.251 50.437 16.422 1.00 59.81 N +ATOM 1246 CA LEU B 43 37.741 49.765 15.211 1.00 53.86 C +ATOM 1247 CB LEU B 43 38.187 50.779 14.131 1.00 55.96 C +ATOM 1248 CG LEU B 43 37.243 51.222 12.971 1.00 57.45 C +ATOM 1249 CD1 LEU B 43 37.612 50.573 11.634 1.00 62.31 C +ATOM 1250 CD2 LEU B 43 35.765 50.995 13.261 1.00 55.14 C +ATOM 1251 C LEU B 43 38.854 48.752 15.513 1.00 45.89 C +ATOM 1252 O LEU B 43 38.850 47.659 14.960 1.00 40.60 O +ATOM 1253 N GLN B 44 39.777 49.099 16.403 1.00 43.46 N +ATOM 1254 CA GLN B 44 40.850 48.160 16.753 1.00 44.89 C +ATOM 1255 CB GLN B 44 42.114 48.819 17.349 1.00 47.89 C +ATOM 1256 CG GLN B 44 41.912 49.927 18.354 1.00 56.24 C +ATOM 1257 CD GLN B 44 41.736 51.316 17.711 1.00 62.03 C +ATOM 1258 OE1 GLN B 44 41.202 51.456 16.602 1.00 66.15 O +ATOM 1259 NE2 GLN B 44 42.171 52.345 18.421 1.00 58.90 N +ATOM 1260 C GLN B 44 40.327 47.018 17.631 1.00 42.08 C +ATOM 1261 O GLN B 44 40.774 45.894 17.479 1.00 43.20 O +ATOM 1262 N THR B 45 39.355 47.280 18.500 1.00 40.55 N +ATOM 1263 CA THR B 45 38.778 46.236 19.351 1.00 40.27 C +ATOM 1264 CB THR B 45 37.843 46.815 20.431 1.00 43.82 C +ATOM 1265 OG1 THR B 45 38.181 48.176 20.707 1.00 49.27 O +ATOM 1266 CG2 THR B 45 37.922 45.994 21.719 1.00 45.54 C +ATOM 1267 C THR B 45 37.964 45.217 18.544 1.00 40.36 C +ATOM 1268 O THR B 45 38.054 44.003 18.778 1.00 39.31 O +ATOM 1269 N ILE B 46 37.159 45.714 17.611 1.00 35.22 N +ATOM 1270 CA ILE B 46 36.439 44.834 16.694 1.00 37.00 C +ATOM 1271 CB ILE B 46 35.506 45.625 15.741 1.00 37.78 C +ATOM 1272 CG1 ILE B 46 34.309 46.169 16.533 1.00 42.22 C +ATOM 1273 CD1 ILE B 46 33.603 47.321 15.857 1.00 45.50 C +ATOM 1274 CG2 ILE B 46 35.004 44.738 14.595 1.00 38.83 C +ATOM 1275 C ILE B 46 37.445 43.977 15.928 1.00 37.43 C +ATOM 1276 O ILE B 46 37.297 42.757 15.866 1.00 33.83 O +ATOM 1277 N ARG B 47 38.481 44.618 15.378 1.00 43.34 N +ATOM 1278 CA ARG B 47 39.518 43.910 14.628 1.00 46.57 C +ATOM 1279 CB ARG B 47 40.575 44.896 14.100 1.00 56.85 C +ATOM 1280 CG ARG B 47 41.542 44.364 13.036 1.00 69.87 C +ATOM 1281 CD ARG B 47 42.936 44.037 13.589 1.00 77.78 C +ATOM 1282 NE ARG B 47 43.542 42.893 12.894 1.00 87.61 N +ATOM 1283 CZ ARG B 47 44.323 41.950 13.445 1.00 89.56 C +ATOM 1284 NH1 ARG B 47 44.652 41.961 14.746 1.00 83.21 N +ATOM 1285 NH2 ARG B 47 44.781 40.960 12.677 1.00 94.93 N +ATOM 1286 C ARG B 47 40.125 42.815 15.518 1.00 43.98 C +ATOM 1287 O ARG B 47 40.195 41.661 15.116 1.00 37.17 O +ATOM 1288 N GLN B 48 40.499 43.168 16.747 1.00 40.21 N +ATOM 1289 CA GLN B 48 41.142 42.219 17.640 1.00 42.67 C +ATOM 1290 CB GLN B 48 41.739 42.940 18.860 1.00 50.61 C +ATOM 1291 CG GLN B 48 42.927 42.245 19.519 1.00 62.00 C +ATOM 1292 CD GLN B 48 44.081 41.940 18.575 1.00 67.37 C +ATOM 1293 OE1 GLN B 48 44.382 42.720 17.669 1.00 85.36 O +ATOM 1294 NE2 GLN B 48 44.735 40.794 18.792 1.00 67.25 N +ATOM 1295 C GLN B 48 40.187 41.083 18.046 1.00 36.61 C +ATOM 1296 O GLN B 48 40.593 39.917 18.107 1.00 32.28 O +ATOM 1297 N GLN B 49 38.924 41.408 18.299 1.00 34.91 N +ATOM 1298 CA GLN B 49 37.909 40.406 18.615 1.00 33.99 C +ATOM 1299 CB GLN B 49 36.555 41.066 18.927 1.00 35.59 C +ATOM 1300 CG GLN B 49 36.457 41.666 20.323 1.00 38.49 C +ATOM 1301 CD GLN B 49 35.238 42.570 20.526 1.00 40.79 C +ATOM 1302 OE1 GLN B 49 34.662 43.106 19.576 1.00 38.95 O +ATOM 1303 NE2 GLN B 49 34.846 42.745 21.784 1.00 40.17 N +ATOM 1304 C GLN B 49 37.753 39.387 17.487 1.00 32.13 C +ATOM 1305 O GLN B 49 37.608 38.194 17.746 1.00 29.16 O +ATOM 1306 N GLN B 50 37.792 39.869 16.246 1.00 32.33 N +ATOM 1307 CA GLN B 50 37.608 39.014 15.067 1.00 34.30 C +ATOM 1308 CB GLN B 50 37.311 39.855 13.804 1.00 40.65 C +ATOM 1309 CG GLN B 50 35.926 40.530 13.811 1.00 47.08 C +ATOM 1310 CD GLN B 50 35.632 41.429 12.596 1.00 52.92 C +ATOM 1311 OE1 GLN B 50 36.533 42.070 12.027 1.00 51.12 O +ATOM 1312 NE2 GLN B 50 34.359 41.490 12.206 1.00 49.41 N +ATOM 1313 C GLN B 50 38.783 38.041 14.849 1.00 32.63 C +ATOM 1314 O GLN B 50 38.555 36.850 14.652 1.00 31.17 O +ATOM 1315 N SER B 51 40.028 38.525 14.926 1.00 32.12 N +ATOM 1316 CA SER B 51 41.202 37.638 14.803 1.00 34.51 C +ATOM 1317 CB SER B 51 42.505 38.435 14.634 1.00 37.32 C +ATOM 1318 OG SER B 51 42.624 39.410 15.647 1.00 45.74 O +ATOM 1319 C SER B 51 41.324 36.627 15.950 1.00 33.11 C +ATOM 1320 O SER B 51 41.599 35.454 15.717 1.00 36.10 O +ATOM 1321 N THR B 52 41.123 37.068 17.182 1.00 31.59 N +ATOM 1322 CA THR B 52 41.179 36.146 18.306 1.00 33.30 C +ATOM 1323 CB THR B 52 40.985 36.871 19.628 1.00 34.71 C +ATOM 1324 OG1 THR B 52 39.812 37.688 19.578 1.00 37.63 O +ATOM 1325 CG2 THR B 52 42.234 37.654 20.038 1.00 33.18 C +ATOM 1326 C THR B 52 40.108 35.036 18.219 1.00 33.53 C +ATOM 1327 O THR B 52 40.397 33.847 18.356 1.00 34.92 O +ATOM 1328 N LEU B 53 38.875 35.439 17.960 1.00 34.09 N +ATOM 1329 CA LEU B 53 37.777 34.496 17.875 1.00 36.47 C +ATOM 1330 CB LEU B 53 36.468 35.274 17.777 1.00 40.94 C +ATOM 1331 CG LEU B 53 35.147 34.539 17.957 1.00 47.83 C +ATOM 1332 CD1 LEU B 53 35.127 33.754 19.262 1.00 52.96 C +ATOM 1333 CD2 LEU B 53 34.005 35.550 17.903 1.00 48.60 C +ATOM 1334 C LEU B 53 37.960 33.511 16.705 1.00 34.23 C +ATOM 1335 O LEU B 53 37.663 32.318 16.841 1.00 34.18 O +ATOM 1336 N ASN B 54 38.476 34.013 15.577 1.00 31.68 N +ATOM 1337 CA ASN B 54 38.794 33.184 14.423 1.00 32.93 C +ATOM 1338 CB ASN B 54 39.231 34.048 13.234 1.00 37.88 C +ATOM 1339 CG ASN B 54 39.463 33.233 11.958 1.00 38.44 C +ATOM 1340 OD1 ASN B 54 38.608 32.464 11.507 1.00 43.43 O +ATOM 1341 ND2 ASN B 54 40.651 33.372 11.399 1.00 44.57 N +ATOM 1342 C ASN B 54 39.893 32.182 14.758 1.00 32.65 C +ATOM 1343 O ASN B 54 39.815 31.005 14.383 1.00 32.33 O +ATOM 1344 N GLY B 55 40.918 32.659 15.460 1.00 30.71 N +ATOM 1345 CA GLY B 55 42.005 31.806 15.903 1.00 30.05 C +ATOM 1346 C GLY B 55 41.469 30.625 16.680 1.00 32.35 C +ATOM 1347 O GLY B 55 41.843 29.477 16.422 1.00 29.02 O +ATOM 1348 N SER B 56 40.548 30.916 17.601 1.00 31.74 N +ATOM 1349 CA SER B 56 39.972 29.899 18.428 1.00 32.91 C +ATOM 1350 CB SER B 56 39.083 30.545 19.470 1.00 36.19 C +ATOM 1351 OG SER B 56 38.705 29.585 20.428 1.00 39.63 O +ATOM 1352 C SER B 56 39.188 28.892 17.585 1.00 38.25 C +ATOM 1353 O SER B 56 39.330 27.673 17.767 1.00 35.90 O +ATOM 1354 N TRP B 57 38.395 29.415 16.644 1.00 38.68 N +ATOM 1355 CA TRP B 57 37.567 28.596 15.730 1.00 36.00 C +ATOM 1356 CB TRP B 57 36.681 29.533 14.881 1.00 35.39 C +ATOM 1357 CG TRP B 57 35.860 29.001 13.734 1.00 34.47 C +ATOM 1358 CD1 TRP B 57 35.743 29.587 12.500 1.00 36.45 C +ATOM 1359 NE1 TRP B 57 34.886 28.875 11.709 1.00 38.40 N +ATOM 1360 CE2 TRP B 57 34.414 27.800 12.415 1.00 39.16 C +ATOM 1361 CD2 TRP B 57 35.005 27.842 13.701 1.00 38.32 C +ATOM 1362 CE3 TRP B 57 34.688 26.835 14.616 1.00 37.98 C +ATOM 1363 CZ3 TRP B 57 33.796 25.842 14.233 1.00 35.49 C +ATOM 1364 CH2 TRP B 57 33.225 25.834 12.955 1.00 38.53 C +ATOM 1365 CZ2 TRP B 57 33.530 26.789 12.031 1.00 39.42 C +ATOM 1366 C TRP B 57 38.447 27.684 14.882 1.00 32.82 C +ATOM 1367 O TRP B 57 38.205 26.481 14.818 1.00 34.27 O +ATOM 1368 N VAL B 58 39.481 28.248 14.257 1.00 31.01 N +ATOM 1369 CA VAL B 58 40.437 27.445 13.466 1.00 30.34 C +ATOM 1370 CB VAL B 58 41.535 28.323 12.835 1.00 29.95 C +ATOM 1371 CG1 VAL B 58 42.720 27.508 12.329 1.00 32.18 C +ATOM 1372 CG2 VAL B 58 40.945 29.149 11.706 1.00 33.54 C +ATOM 1373 C VAL B 58 41.057 26.329 14.321 1.00 32.25 C +ATOM 1374 O VAL B 58 41.126 25.184 13.873 1.00 34.37 O +ATOM 1375 N ALA B 59 41.467 26.659 15.552 1.00 31.05 N +ATOM 1376 CA ALA B 59 42.103 25.680 16.434 1.00 33.95 C +ATOM 1377 CB ALA B 59 42.743 26.373 17.629 1.00 38.95 C +ATOM 1378 C ALA B 59 41.144 24.572 16.902 1.00 37.22 C +ATOM 1379 O ALA B 59 41.557 23.423 17.045 1.00 41.02 O +ATOM 1380 N LEU B 60 39.875 24.912 17.136 1.00 33.82 N +ATOM 1381 CA LEU B 60 38.867 23.894 17.422 1.00 34.40 C +ATOM 1382 CB LEU B 60 37.540 24.538 17.805 1.00 36.75 C +ATOM 1383 CG LEU B 60 37.533 25.288 19.147 1.00 38.25 C +ATOM 1384 CD1 LEU B 60 36.334 26.209 19.273 1.00 41.61 C +ATOM 1385 CD2 LEU B 60 37.579 24.327 20.316 1.00 37.58 C +ATOM 1386 C LEU B 60 38.672 22.936 16.255 1.00 31.01 C +ATOM 1387 O LEU B 60 38.606 21.735 16.457 1.00 31.76 O +ATOM 1388 N LEU B 61 38.611 23.466 15.038 1.00 31.45 N +ATOM 1389 CA LEU B 61 38.495 22.626 13.845 1.00 33.76 C +ATOM 1390 CB LEU B 61 38.302 23.485 12.596 1.00 37.77 C +ATOM 1391 CG LEU B 61 36.985 24.253 12.512 1.00 38.94 C +ATOM 1392 CD1 LEU B 61 37.125 25.350 11.470 1.00 39.46 C +ATOM 1393 CD2 LEU B 61 35.818 23.311 12.205 1.00 38.22 C +ATOM 1394 C LEU B 61 39.718 21.733 13.647 1.00 35.70 C +ATOM 1395 O LEU B 61 39.581 20.562 13.294 1.00 38.41 O +ATOM 1396 N GLN B 62 40.908 22.290 13.867 1.00 34.88 N +ATOM 1397 CA GLN B 62 42.139 21.510 13.807 1.00 35.15 C +ATOM 1398 CB GLN B 62 43.359 22.409 13.922 1.00 35.36 C +ATOM 1399 CG GLN B 62 43.768 22.954 12.567 1.00 40.93 C +ATOM 1400 CD GLN B 62 44.801 24.069 12.628 1.00 44.36 C +ATOM 1401 OE1 GLN B 62 45.057 24.742 11.631 1.00 45.53 O +ATOM 1402 NE2 GLN B 62 45.436 24.236 13.778 1.00 54.37 N +ATOM 1403 C GLN B 62 42.165 20.390 14.852 1.00 36.10 C +ATOM 1404 O GLN B 62 42.570 19.273 14.547 1.00 35.59 O +ATOM 1405 N THR B 63 41.686 20.688 16.057 1.00 33.43 N +ATOM 1406 CA THR B 63 41.543 19.694 17.100 1.00 35.05 C +ATOM 1407 CB THR B 63 40.995 20.337 18.387 1.00 38.87 C +ATOM 1408 OG1 THR B 63 41.864 21.395 18.802 1.00 41.30 O +ATOM 1409 CG2 THR B 63 40.870 19.308 19.517 1.00 41.62 C +ATOM 1410 C THR B 63 40.603 18.567 16.679 1.00 34.35 C +ATOM 1411 O THR B 63 40.960 17.390 16.726 1.00 32.59 O +ATOM 1412 N ARG B 64 39.394 18.930 16.263 1.00 34.85 N +ATOM 1413 CA ARG B 64 38.436 17.935 15.783 1.00 33.41 C +ATOM 1414 CB ARG B 64 37.161 18.591 15.278 1.00 31.58 C +ATOM 1415 CG ARG B 64 35.990 17.610 15.178 1.00 31.56 C +ATOM 1416 CD ARG B 64 34.873 18.206 14.364 1.00 31.55 C +ATOM 1417 NE ARG B 64 33.802 17.267 14.097 1.00 32.53 N +ATOM 1418 CZ ARG B 64 32.743 17.529 13.325 1.00 32.26 C +ATOM 1419 NH1 ARG B 64 32.609 18.714 12.728 1.00 30.42 N +ATOM 1420 NH2 ARG B 64 31.798 16.600 13.165 1.00 29.24 N +ATOM 1421 C ARG B 64 39.026 17.046 14.682 1.00 31.93 C +ATOM 1422 O ARG B 64 38.888 15.820 14.728 1.00 27.40 O +ATOM 1423 N ASN B 65 39.698 17.658 13.708 1.00 31.92 N +ATOM 1424 CA ASN B 65 40.318 16.886 12.622 1.00 34.17 C +ATOM 1425 CB ASN B 65 40.953 17.792 11.576 1.00 32.31 C +ATOM 1426 CG ASN B 65 41.630 17.009 10.475 1.00 34.60 C +ATOM 1427 OD1 ASN B 65 40.961 16.376 9.671 1.00 36.28 O +ATOM 1428 ND2 ASN B 65 42.966 17.015 10.460 1.00 34.37 N +ATOM 1429 C ASN B 65 41.359 15.886 13.136 1.00 31.52 C +ATOM 1430 O ASN B 65 41.351 14.714 12.748 1.00 32.54 O +ATOM 1431 N THR B 66 42.243 16.360 14.005 1.00 29.03 N +ATOM 1432 CA THR B 66 43.296 15.526 14.563 1.00 29.16 C +ATOM 1433 CB THR B 66 44.248 16.345 15.438 1.00 30.34 C +ATOM 1434 OG1 THR B 66 44.854 17.363 14.626 1.00 36.33 O +ATOM 1435 CG2 THR B 66 45.332 15.454 16.058 1.00 29.82 C +ATOM 1436 C THR B 66 42.727 14.372 15.377 1.00 28.05 C +ATOM 1437 O THR B 66 43.268 13.263 15.335 1.00 30.63 O +ATOM 1438 N LEU B 67 41.650 14.638 16.113 1.00 26.70 N +ATOM 1439 CA LEU B 67 40.969 13.601 16.864 1.00 27.30 C +ATOM 1440 CB LEU B 67 39.822 14.183 17.696 1.00 30.17 C +ATOM 1441 CG LEU B 67 40.266 14.905 18.969 1.00 32.10 C +ATOM 1442 CD1 LEU B 67 39.068 15.526 19.653 1.00 31.52 C +ATOM 1443 CD2 LEU B 67 41.019 13.963 19.901 1.00 31.98 C +ATOM 1444 C LEU B 67 40.450 12.493 15.962 1.00 26.18 C +ATOM 1445 O LEU B 67 40.565 11.326 16.316 1.00 25.37 O +ATOM 1446 N ASN B 68 39.901 12.855 14.802 1.00 26.94 N +ATOM 1447 CA ASN B 68 39.406 11.856 13.850 1.00 28.08 C +ATOM 1448 CB ASN B 68 38.474 12.475 12.805 1.00 28.81 C +ATOM 1449 CG ASN B 68 37.078 12.740 13.344 1.00 28.90 C +ATOM 1450 OD1 ASN B 68 36.372 11.826 13.769 1.00 31.55 O +ATOM 1451 ND2 ASN B 68 36.664 13.999 13.302 1.00 29.34 N +ATOM 1452 C ASN B 68 40.541 11.086 13.168 1.00 30.56 C +ATOM 1453 O ASN B 68 40.367 9.916 12.831 1.00 29.15 O +ATOM 1454 N ARG B 69 41.700 11.720 12.967 1.00 31.58 N +ATOM 1455 CA ARG B 69 42.890 10.972 12.521 1.00 34.17 C +ATOM 1456 CB ARG B 69 44.042 11.910 12.211 1.00 37.31 C +ATOM 1457 CG ARG B 69 43.826 12.796 10.999 1.00 41.31 C +ATOM 1458 CD ARG B 69 45.043 13.676 10.806 1.00 41.13 C +ATOM 1459 NE ARG B 69 46.220 12.864 10.499 1.00 43.45 N +ATOM 1460 CZ ARG B 69 47.486 13.245 10.659 1.00 43.12 C +ATOM 1461 NH1 ARG B 69 47.785 14.458 11.144 1.00 42.77 N +ATOM 1462 NH2 ARG B 69 48.458 12.396 10.329 1.00 40.69 N +ATOM 1463 C ARG B 69 43.347 9.944 13.569 1.00 31.89 C +ATOM 1464 O ARG B 69 43.710 8.821 13.230 1.00 27.06 O +ATOM 1465 N ALA B 70 43.337 10.342 14.841 1.00 31.71 N +ATOM 1466 CA ALA B 70 43.655 9.421 15.943 1.00 32.61 C +ATOM 1467 CB ALA B 70 43.605 10.142 17.286 1.00 31.65 C +ATOM 1468 C ALA B 70 42.697 8.222 15.937 1.00 32.60 C +ATOM 1469 O ALA B 70 43.125 7.061 16.061 1.00 28.74 O +ATOM 1470 N GLY B 71 41.410 8.525 15.756 1.00 31.37 N +ATOM 1471 CA GLY B 71 40.372 7.506 15.697 1.00 33.22 C +ATOM 1472 C GLY B 71 40.528 6.540 14.537 1.00 32.69 C +ATOM 1473 O GLY B 71 40.285 5.355 14.704 1.00 34.61 O +ATOM 1474 N ILE B 72 40.933 7.039 13.369 1.00 34.55 N +ATOM 1475 CA ILE B 72 41.198 6.172 12.207 1.00 37.19 C +ATOM 1476 CB ILE B 72 41.405 6.988 10.890 1.00 37.48 C +ATOM 1477 CG1 ILE B 72 40.110 7.635 10.422 1.00 40.68 C +ATOM 1478 CD1 ILE B 72 40.342 8.750 9.414 1.00 42.93 C +ATOM 1479 CG2 ILE B 72 41.951 6.124 9.749 1.00 36.06 C +ATOM 1480 C ILE B 72 42.429 5.305 12.490 1.00 38.11 C +ATOM 1481 O ILE B 72 42.457 4.125 12.140 1.00 34.27 O +ATOM 1482 N ARG B 73 43.431 5.900 13.136 1.00 41.01 N +ATOM 1483 CA ARG B 73 44.642 5.189 13.505 1.00 41.14 C +ATOM 1484 CB ARG B 73 45.692 6.168 14.054 1.00 43.23 C +ATOM 1485 CG ARG B 73 47.066 5.574 14.355 1.00 45.24 C +ATOM 1486 CD ARG B 73 47.677 4.837 13.171 1.00 50.57 C +ATOM 1487 NE ARG B 73 49.121 5.067 13.060 1.00 54.62 N +ATOM 1488 CZ ARG B 73 50.091 4.170 13.256 1.00 57.93 C +ATOM 1489 NH1 ARG B 73 49.828 2.894 13.579 1.00 58.02 N +ATOM 1490 NH2 ARG B 73 51.359 4.560 13.105 1.00 58.72 N +ATOM 1491 C ARG B 73 44.352 4.091 14.525 1.00 38.76 C +ATOM 1492 O ARG B 73 44.916 3.006 14.423 1.00 33.64 O +ATOM 1493 N TYR B 74 43.480 4.378 15.497 1.00 38.68 N +ATOM 1494 CA TYR B 74 43.104 3.392 16.518 1.00 38.93 C +ATOM 1495 CB TYR B 74 42.145 4.004 17.554 1.00 39.96 C +ATOM 1496 CG TYR B 74 41.613 3.014 18.581 1.00 42.49 C +ATOM 1497 CD2 TYR B 74 42.266 2.810 19.798 1.00 43.11 C +ATOM 1498 CE2 TYR B 74 41.781 1.902 20.729 1.00 44.09 C +ATOM 1499 CZ TYR B 74 40.627 1.179 20.453 1.00 44.84 C +ATOM 1500 OH TYR B 74 40.145 0.275 21.372 1.00 44.11 O +ATOM 1501 CE1 TYR B 74 39.961 1.365 19.254 1.00 44.70 C +ATOM 1502 CD1 TYR B 74 40.454 2.279 18.328 1.00 44.68 C +ATOM 1503 C TYR B 74 42.486 2.150 15.870 1.00 37.85 C +ATOM 1504 O TYR B 74 42.841 1.026 16.216 1.00 31.61 O +ATOM 1505 N MET B 75 41.572 2.378 14.929 1.00 40.66 N +ATOM 1506 CA MET B 75 40.904 1.299 14.191 1.00 42.73 C +ATOM 1507 CB MET B 75 39.862 1.871 13.225 1.00 45.94 C +ATOM 1508 CG MET B 75 38.636 2.471 13.890 1.00 49.29 C +ATOM 1509 SD MET B 75 37.574 1.274 14.710 1.00 56.13 S +ATOM 1510 CE MET B 75 36.975 0.329 13.310 1.00 55.80 C +ATOM 1511 C MET B 75 41.893 0.448 13.399 1.00 41.44 C +ATOM 1512 O MET B 75 41.740 -0.775 13.317 1.00 39.11 O +ATOM 1513 N MET B 76 42.885 1.105 12.799 1.00 41.49 N +ATOM 1514 CA MET B 76 43.956 0.414 12.081 1.00 42.97 C +ATOM 1515 CB MET B 76 44.815 1.412 11.296 1.00 45.93 C +ATOM 1516 CG MET B 76 44.103 2.036 10.105 1.00 48.54 C +ATOM 1517 SD MET B 76 44.959 3.497 9.461 1.00 52.10 S +ATOM 1518 CE MET B 76 46.337 2.749 8.600 1.00 52.14 C +ATOM 1519 C MET B 76 44.809 -0.390 13.064 1.00 40.96 C +ATOM 1520 O MET B 76 45.009 -1.590 12.875 1.00 42.90 O +ATOM 1521 N ASP B 77 45.254 0.266 14.135 1.00 40.21 N +ATOM 1522 CA ASP B 77 46.011 -0.388 15.219 1.00 39.46 C +ATOM 1523 CB ASP B 77 46.328 0.608 16.357 1.00 41.37 C +ATOM 1524 CG ASP B 77 47.393 1.647 15.975 1.00 43.28 C +ATOM 1525 OD1 ASP B 77 47.990 1.544 14.883 1.00 45.54 O +ATOM 1526 OD2 ASP B 77 47.631 2.581 16.776 1.00 45.30 O +ATOM 1527 C ASP B 77 45.283 -1.606 15.796 1.00 36.50 C +ATOM 1528 O ASP B 77 45.924 -2.608 16.119 1.00 34.56 O +ATOM 1529 N GLN B 78 43.957 -1.511 15.921 1.00 35.77 N +ATOM 1530 CA GLN B 78 43.127 -2.640 16.357 1.00 34.95 C +ATOM 1531 CB GLN B 78 41.638 -2.248 16.450 1.00 34.27 C +ATOM 1532 CG GLN B 78 41.249 -1.437 17.680 1.00 33.87 C +ATOM 1533 CD GLN B 78 41.249 -2.239 18.971 1.00 34.33 C +ATOM 1534 OE1 GLN B 78 41.774 -1.783 19.985 1.00 35.20 O +ATOM 1535 NE2 GLN B 78 40.654 -3.432 18.947 1.00 33.10 N +ATOM 1536 C GLN B 78 43.283 -3.870 15.450 1.00 35.12 C +ATOM 1537 O GLN B 78 43.360 -4.980 15.966 1.00 35.06 O +ATOM 1538 N ASN B 79 43.354 -3.673 14.133 1.00 37.99 N +ATOM 1539 CA ASN B 79 43.316 -4.806 13.188 1.00 42.22 C +ATOM 1540 CB ASN B 79 42.498 -4.444 11.946 1.00 41.02 C +ATOM 1541 CG ASN B 79 41.109 -3.912 12.279 1.00 40.72 C +ATOM 1542 OD1 ASN B 79 40.627 -2.978 11.641 1.00 40.70 O +ATOM 1543 ND2 ASN B 79 40.473 -4.486 13.289 1.00 39.55 N +ATOM 1544 C ASN B 79 44.647 -5.475 12.757 1.00 48.55 C +ATOM 1545 O ASN B 79 44.972 -6.584 13.219 1.00 50.97 O +ATOM 1546 N ASN B 80 45.393 -4.828 11.861 1.00 57.00 N +ATOM 1547 CA ASN B 80 46.487 -5.502 11.103 1.00 64.20 C +ATOM 1548 CB ASN B 80 45.867 -6.347 9.970 1.00 62.53 C +ATOM 1549 CG ASN B 80 46.750 -7.504 9.521 1.00 58.62 C +ATOM 1550 OD1 ASN B 80 47.973 -7.479 9.665 1.00 56.03 O +ATOM 1551 ND2 ASN B 80 46.120 -8.529 8.956 1.00 57.29 N +ATOM 1552 C ASN B 80 47.544 -4.545 10.511 1.00 73.11 C +ATOM 1553 O ASN B 80 48.758 -4.840 10.554 1.00 72.11 O +ATOM 1554 N ILE B 81 47.076 -3.437 9.923 1.00 81.32 N +ATOM 1555 CA ILE B 81 47.942 -2.429 9.291 1.00 84.24 C +ATOM 1556 CB ILE B 81 47.606 -2.240 7.782 1.00 82.40 C +ATOM 1557 CG1 ILE B 81 46.121 -1.867 7.561 1.00 82.60 C +ATOM 1558 CD1 ILE B 81 45.160 -3.009 7.255 1.00 80.18 C +ATOM 1559 CG2 ILE B 81 48.024 -3.483 7.009 1.00 80.11 C +ATOM 1560 C ILE B 81 47.868 -1.126 10.088 1.00 88.48 C +ATOM 1561 O ILE B 81 46.951 -0.923 10.865 1.00 86.74 O +ATOM 1562 N GLY B 82 48.903 -0.307 9.961 1.00 95.91 N +ATOM 1563 CA GLY B 82 49.012 0.971 10.692 1.00 95.18 C +ATOM 1564 C GLY B 82 50.100 1.834 10.054 1.00 97.77 C +ATOM 1565 O GLY B 82 51.209 1.342 9.812 1.00104.45 O +ATOM 1566 N SER B 83 49.788 3.108 9.793 1.00 92.38 N +ATOM 1567 CA SER B 83 50.641 3.981 8.993 1.00 89.05 C +ATOM 1568 CB SER B 83 50.133 4.035 7.541 1.00 92.85 C +ATOM 1569 OG SER B 83 49.341 2.916 7.179 1.00 92.18 O +ATOM 1570 C SER B 83 50.675 5.388 9.600 1.00 84.40 C +ATOM 1571 O SER B 83 49.948 5.659 10.546 1.00 88.55 O +ATOM 1572 N GLY B 84 51.536 6.264 9.076 1.00 78.31 N +ATOM 1573 CA GLY B 84 51.550 7.689 9.455 1.00 76.49 C +ATOM 1574 C GLY B 84 51.918 7.989 10.908 1.00 71.97 C +ATOM 1575 O GLY B 84 52.828 7.366 11.462 1.00 78.51 O +ATOM 1576 N SER B 85 51.210 8.946 11.520 1.00 58.74 N +ATOM 1577 CA SER B 85 51.435 9.328 12.924 1.00 56.96 C +ATOM 1578 CB SER B 85 51.143 10.821 13.141 1.00 58.81 C +ATOM 1579 OG SER B 85 52.367 11.590 13.110 1.00 63.36 O +ATOM 1580 C SER B 85 50.597 8.459 13.872 1.00 49.82 C +ATOM 1581 O SER B 85 49.488 8.063 13.524 1.00 46.87 O +ATOM 1582 N THR B 86 51.132 8.184 15.064 1.00 42.70 N +ATOM 1583 CA THR B 86 50.511 7.224 16.009 1.00 35.51 C +ATOM 1584 CB THR B 86 51.521 6.584 17.006 1.00 33.98 C +ATOM 1585 OG1 THR B 86 51.822 7.490 18.083 1.00 34.26 O +ATOM 1586 CG2 THR B 86 52.820 6.127 16.313 1.00 33.60 C +ATOM 1587 C THR B 86 49.371 7.867 16.810 1.00 32.78 C +ATOM 1588 O THR B 86 49.255 9.097 16.883 1.00 33.94 O +ATOM 1589 N VAL B 87 48.537 7.018 17.410 1.00 31.09 N +ATOM 1590 CA VAL B 87 47.374 7.474 18.184 1.00 28.98 C +ATOM 1591 CB VAL B 87 46.592 6.308 18.839 1.00 26.88 C +ATOM 1592 CG1 VAL B 87 45.486 6.835 19.746 1.00 26.44 C +ATOM 1593 CG2 VAL B 87 46.005 5.387 17.783 1.00 27.47 C +ATOM 1594 C VAL B 87 47.851 8.425 19.273 1.00 29.04 C +ATOM 1595 O VAL B 87 47.305 9.522 19.423 1.00 28.00 O +ATOM 1596 N ALA B 88 48.884 7.994 20.005 1.00 28.81 N +ATOM 1597 CA ALA B 88 49.469 8.777 21.084 1.00 29.57 C +ATOM 1598 CB ALA B 88 50.591 7.998 21.747 1.00 27.87 C +ATOM 1599 C ALA B 88 49.976 10.140 20.615 1.00 31.98 C +ATOM 1600 O ALA B 88 49.747 11.142 21.286 1.00 30.38 O +ATOM 1601 N GLU B 89 50.654 10.179 19.466 1.00 37.95 N +ATOM 1602 CA GLU B 89 51.213 11.434 18.936 1.00 44.67 C +ATOM 1603 CB GLU B 89 52.186 11.162 17.775 1.00 57.94 C +ATOM 1604 CG GLU B 89 53.042 12.365 17.362 1.00 67.43 C +ATOM 1605 CD GLU B 89 53.109 12.569 15.851 1.00 73.38 C +ATOM 1606 OE1 GLU B 89 54.006 11.991 15.173 1.00 63.68 O +ATOM 1607 OE2 GLU B 89 52.237 13.309 15.320 1.00 81.79 O +ATOM 1608 C GLU B 89 50.103 12.387 18.494 1.00 41.68 C +ATOM 1609 O GLU B 89 50.199 13.599 18.698 1.00 41.85 O +ATOM 1610 N LEU B 90 49.049 11.824 17.905 1.00 38.25 N +ATOM 1611 CA LEU B 90 47.888 12.597 17.484 1.00 36.61 C +ATOM 1612 CB LEU B 90 47.021 11.766 16.542 1.00 37.17 C +ATOM 1613 CG LEU B 90 47.675 11.411 15.201 1.00 37.17 C +ATOM 1614 CD1 LEU B 90 46.887 10.323 14.490 1.00 37.97 C +ATOM 1615 CD2 LEU B 90 47.799 12.637 14.313 1.00 34.92 C +ATOM 1616 C LEU B 90 47.057 13.085 18.664 1.00 36.48 C +ATOM 1617 O LEU B 90 46.540 14.207 18.654 1.00 36.97 O +ATOM 1618 N MET B 91 46.912 12.240 19.673 1.00 36.13 N +ATOM 1619 CA MET B 91 46.176 12.628 20.869 1.00 41.53 C +ATOM 1620 CB MET B 91 46.047 11.448 21.816 1.00 49.02 C +ATOM 1621 CG MET B 91 45.167 10.335 21.275 1.00 59.79 C +ATOM 1622 SD MET B 91 43.501 10.429 21.885 1.00 79.61 S +ATOM 1623 CE MET B 91 43.747 9.561 23.440 1.00 78.01 C +ATOM 1624 C MET B 91 46.818 13.820 21.580 1.00 38.09 C +ATOM 1625 O MET B 91 46.122 14.771 21.949 1.00 34.86 O +ATOM 1626 N GLU B 92 48.139 13.790 21.735 1.00 34.90 N +ATOM 1627 CA GLU B 92 48.845 14.878 22.415 1.00 38.27 C +ATOM 1628 CB GLU B 92 50.281 14.480 22.799 1.00 40.73 C +ATOM 1629 CG GLU B 92 50.372 13.248 23.701 1.00 46.98 C +ATOM 1630 CD GLU B 92 51.666 12.466 23.568 1.00 50.78 C +ATOM 1631 OE1 GLU B 92 52.422 12.624 22.579 1.00 54.09 O +ATOM 1632 OE2 GLU B 92 51.934 11.691 24.504 1.00 55.56 O +ATOM 1633 C GLU B 92 48.853 16.143 21.544 1.00 39.27 C +ATOM 1634 O GLU B 92 48.856 17.262 22.075 1.00 42.03 O +ATOM 1635 N SER B 93 48.853 15.959 20.215 1.00 36.45 N +ATOM 1636 CA SER B 93 48.699 17.068 19.280 1.00 34.56 C +ATOM 1637 CB SER B 93 48.924 16.592 17.850 1.00 33.92 C +ATOM 1638 OG SER B 93 48.708 17.644 16.932 1.00 37.20 O +ATOM 1639 C SER B 93 47.320 17.712 19.395 1.00 34.00 C +ATOM 1640 O SER B 93 47.202 18.940 19.453 1.00 36.59 O +ATOM 1641 N ALA B 94 46.282 16.877 19.418 1.00 35.40 N +ATOM 1642 CA ALA B 94 44.914 17.340 19.650 1.00 33.76 C +ATOM 1643 CB ALA B 94 43.961 16.155 19.711 1.00 34.41 C +ATOM 1644 C ALA B 94 44.829 18.153 20.943 1.00 34.45 C +ATOM 1645 O ALA B 94 44.270 19.248 20.959 1.00 38.02 O +ATOM 1646 N SER B 95 45.414 17.618 22.012 1.00 35.88 N +ATOM 1647 CA SER B 95 45.430 18.301 23.303 1.00 36.55 C +ATOM 1648 CB SER B 95 46.143 17.449 24.350 1.00 39.71 C +ATOM 1649 OG SER B 95 45.459 17.532 25.585 1.00 50.52 O +ATOM 1650 C SER B 95 46.071 19.701 23.243 1.00 34.47 C +ATOM 1651 O SER B 95 45.579 20.647 23.863 1.00 32.53 O +ATOM 1652 N ILE B 96 47.163 19.812 22.490 1.00 35.60 N +ATOM 1653 CA ILE B 96 47.898 21.072 22.341 1.00 34.02 C +ATOM 1654 CB ILE B 96 49.317 20.827 21.773 1.00 31.75 C +ATOM 1655 CG1 ILE B 96 50.147 20.068 22.812 1.00 33.46 C +ATOM 1656 CD1 ILE B 96 51.303 19.291 22.230 1.00 37.13 C +ATOM 1657 CG2 ILE B 96 50.014 22.140 21.414 1.00 30.34 C +ATOM 1658 C ILE B 96 47.120 22.096 21.508 1.00 36.27 C +ATOM 1659 O ILE B 96 47.049 23.264 21.883 1.00 41.50 O +ATOM 1660 N SER B 97 46.538 21.666 20.389 1.00 37.07 N +ATOM 1661 CA SER B 97 45.683 22.563 19.596 1.00 37.10 C +ATOM 1662 CB SER B 97 45.324 21.934 18.237 1.00 35.63 C +ATOM 1663 OG SER B 97 44.595 20.733 18.387 1.00 34.97 O +ATOM 1664 C SER B 97 44.410 22.984 20.358 1.00 35.87 C +ATOM 1665 O SER B 97 43.956 24.131 20.218 1.00 38.95 O +ATOM 1666 N LEU B 98 43.842 22.074 21.158 1.00 32.46 N +ATOM 1667 CA LEU B 98 42.729 22.437 22.041 1.00 36.60 C +ATOM 1668 CB LEU B 98 42.190 21.235 22.807 1.00 35.99 C +ATOM 1669 CG LEU B 98 40.892 21.449 23.606 1.00 36.29 C +ATOM 1670 CD1 LEU B 98 39.768 21.936 22.700 1.00 38.65 C +ATOM 1671 CD2 LEU B 98 40.506 20.143 24.311 1.00 40.01 C +ATOM 1672 C LEU B 98 43.125 23.523 23.029 1.00 39.88 C +ATOM 1673 O LEU B 98 42.353 24.470 23.243 1.00 44.01 O +ATOM 1674 N LYS B 99 44.311 23.377 23.629 1.00 39.02 N +ATOM 1675 CA LYS B 99 44.875 24.417 24.480 1.00 40.59 C +ATOM 1676 CB LYS B 99 46.239 24.007 25.043 1.00 45.54 C +ATOM 1677 CG LYS B 99 46.184 22.953 26.130 1.00 54.77 C +ATOM 1678 CD LYS B 99 45.803 23.517 27.491 1.00 61.52 C +ATOM 1679 CE LYS B 99 45.482 22.419 28.495 1.00 63.24 C +ATOM 1680 NZ LYS B 99 44.457 22.913 29.458 1.00 61.42 N +ATOM 1681 C LYS B 99 45.016 25.743 23.721 1.00 37.22 C +ATOM 1682 O LYS B 99 44.773 26.809 24.288 1.00 34.85 O +ATOM 1683 N GLN B 100 45.426 25.666 22.452 1.00 35.58 N +ATOM 1684 CA GLN B 100 45.563 26.856 21.615 1.00 35.19 C +ATOM 1685 CB GLN B 100 46.281 26.539 20.284 1.00 36.89 C +ATOM 1686 CG GLN B 100 46.723 27.759 19.471 1.00 34.53 C +ATOM 1687 CD GLN B 100 47.746 28.610 20.195 1.00 40.28 C +ATOM 1688 OE1 GLN B 100 48.534 28.112 21.008 1.00 45.04 O +ATOM 1689 NE2 GLN B 100 47.749 29.904 19.902 1.00 44.61 N +ATOM 1690 C GLN B 100 44.211 27.518 21.378 1.00 33.41 C +ATOM 1691 O GLN B 100 44.098 28.747 21.401 1.00 35.92 O +ATOM 1692 N ALA B 101 43.184 26.702 21.187 1.00 34.52 N +ATOM 1693 CA ALA B 101 41.799 27.219 21.121 1.00 37.48 C +ATOM 1694 CB ALA B 101 40.828 26.098 20.797 1.00 36.72 C +ATOM 1695 C ALA B 101 41.367 27.962 22.402 1.00 38.87 C +ATOM 1696 O ALA B 101 40.759 29.032 22.330 1.00 39.42 O +ATOM 1697 N GLU B 102 41.711 27.397 23.564 1.00 40.98 N +ATOM 1698 CA GLU B 102 41.433 28.020 24.869 1.00 35.68 C +ATOM 1699 CB GLU B 102 41.812 27.081 26.008 1.00 37.49 C +ATOM 1700 CG GLU B 102 40.972 25.814 26.079 1.00 41.27 C +ATOM 1701 CD GLU B 102 41.572 24.707 26.937 1.00 44.43 C +ATOM 1702 OE1 GLU B 102 42.523 24.961 27.707 1.00 43.28 O +ATOM 1703 OE2 GLU B 102 41.073 23.563 26.852 1.00 50.65 O +ATOM 1704 C GLU B 102 42.143 29.369 25.036 1.00 32.20 C +ATOM 1705 O GLU B 102 41.557 30.335 25.545 1.00 29.22 O +ATOM 1706 N LYS B 103 43.389 29.431 24.588 1.00 28.48 N +ATOM 1707 CA LYS B 103 44.174 30.656 24.655 1.00 31.53 C +ATOM 1708 CB LYS B 103 45.608 30.392 24.162 1.00 32.43 C +ATOM 1709 CG LYS B 103 46.604 31.496 24.462 1.00 34.73 C +ATOM 1710 CD LYS B 103 47.791 31.466 23.504 1.00 38.88 C +ATOM 1711 CE LYS B 103 47.741 32.648 22.555 1.00 46.32 C +ATOM 1712 NZ LYS B 103 48.208 33.909 23.201 1.00 46.42 N +ATOM 1713 C LYS B 103 43.545 31.785 23.833 1.00 30.72 C +ATOM 1714 O LYS B 103 43.375 32.906 24.312 1.00 28.84 O +ATOM 1715 N ASN B 104 43.214 31.489 22.581 1.00 34.14 N +ATOM 1716 CA ASN B 104 42.555 32.469 21.712 1.00 35.79 C +ATOM 1717 CB ASN B 104 42.427 31.981 20.277 1.00 38.90 C +ATOM 1718 CG ASN B 104 43.756 31.865 19.554 1.00 39.25 C +ATOM 1719 OD1 ASN B 104 44.013 30.863 18.901 1.00 42.79 O +ATOM 1720 ND2 ASN B 104 44.604 32.879 19.665 1.00 48.18 N +ATOM 1721 C ASN B 104 41.168 32.837 22.253 1.00 33.66 C +ATOM 1722 O ASN B 104 40.799 34.004 22.251 1.00 38.94 O +ATOM 1723 N TRP B 105 40.403 31.869 22.734 1.00 30.42 N +ATOM 1724 CA TRP B 105 39.153 32.216 23.439 1.00 29.66 C +ATOM 1725 CB TRP B 105 38.427 30.982 23.966 1.00 27.06 C +ATOM 1726 CG TRP B 105 37.122 31.365 24.570 1.00 28.32 C +ATOM 1727 CD1 TRP B 105 36.836 31.450 25.899 1.00 28.31 C +ATOM 1728 NE1 TRP B 105 35.538 31.879 26.080 1.00 29.19 N +ATOM 1729 CE2 TRP B 105 34.960 32.087 24.859 1.00 28.26 C +ATOM 1730 CD2 TRP B 105 35.934 31.795 23.875 1.00 27.14 C +ATOM 1731 CE3 TRP B 105 35.591 31.939 22.528 1.00 27.85 C +ATOM 1732 CZ3 TRP B 105 34.282 32.357 22.203 1.00 29.95 C +ATOM 1733 CH2 TRP B 105 33.344 32.647 23.209 1.00 28.39 C +ATOM 1734 CZ2 TRP B 105 33.668 32.516 24.538 1.00 30.15 C +ATOM 1735 C TRP B 105 39.363 33.210 24.599 1.00 30.59 C +ATOM 1736 O TRP B 105 38.677 34.218 24.682 1.00 31.42 O +ATOM 1737 N ALA B 106 40.315 32.905 25.476 1.00 32.08 N +ATOM 1738 CA ALA B 106 40.654 33.775 26.580 1.00 31.12 C +ATOM 1739 CB ALA B 106 41.733 33.142 27.447 1.00 31.48 C +ATOM 1740 C ALA B 106 41.094 35.165 26.111 1.00 33.18 C +ATOM 1741 O ALA B 106 40.705 36.171 26.725 1.00 34.67 O +ATOM 1742 N ASP B 107 41.892 35.224 25.045 1.00 31.27 N +ATOM 1743 CA ASP B 107 42.281 36.512 24.447 1.00 33.32 C +ATOM 1744 CB ASP B 107 43.314 36.352 23.318 1.00 37.33 C +ATOM 1745 CG ASP B 107 44.678 35.872 23.806 1.00 42.72 C +ATOM 1746 OD1 ASP B 107 45.032 36.038 25.022 1.00 45.39 O +ATOM 1747 OD2 ASP B 107 45.422 35.322 22.942 1.00 42.76 O +ATOM 1748 C ASP B 107 41.045 37.264 23.900 1.00 34.43 C +ATOM 1749 O ASP B 107 40.970 38.487 24.028 1.00 32.25 O +ATOM 1750 N TYR B 108 40.080 36.532 23.332 1.00 32.47 N +ATOM 1751 CA TYR B 108 38.830 37.136 22.875 1.00 35.98 C +ATOM 1752 CB TYR B 108 37.940 36.133 22.101 1.00 38.15 C +ATOM 1753 CG TYR B 108 36.473 36.503 22.109 1.00 42.32 C +ATOM 1754 CD1 TYR B 108 36.004 37.594 21.372 1.00 42.72 C +ATOM 1755 CE1 TYR B 108 34.663 37.947 21.388 1.00 43.09 C +ATOM 1756 CZ TYR B 108 33.774 37.218 22.153 1.00 43.71 C +ATOM 1757 OH TYR B 108 32.439 37.567 22.204 1.00 46.17 O +ATOM 1758 CE2 TYR B 108 34.216 36.132 22.899 1.00 46.79 C +ATOM 1759 CD2 TYR B 108 35.556 35.783 22.878 1.00 44.60 C +ATOM 1760 C TYR B 108 38.071 37.786 24.038 1.00 38.69 C +ATOM 1761 O TYR B 108 37.723 38.980 23.983 1.00 44.04 O +ATOM 1762 N GLU B 109 37.863 37.011 25.100 1.00 36.33 N +ATOM 1763 CA GLU B 109 37.115 37.476 26.266 1.00 35.41 C +ATOM 1764 CB GLU B 109 36.967 36.351 27.293 1.00 41.34 C +ATOM 1765 CG GLU B 109 36.116 35.189 26.802 1.00 47.98 C +ATOM 1766 CD GLU B 109 35.306 34.542 27.908 1.00 54.52 C +ATOM 1767 OE1 GLU B 109 35.921 33.851 28.760 1.00 52.23 O +ATOM 1768 OE2 GLU B 109 34.063 34.733 27.904 1.00 52.83 O +ATOM 1769 C GLU B 109 37.719 38.709 26.939 1.00 33.24 C +ATOM 1770 O GLU B 109 36.988 39.573 27.424 1.00 34.68 O +ATOM 1771 N ALA B 110 39.042 38.793 26.956 1.00 31.30 N +ATOM 1772 CA ALA B 110 39.734 39.900 27.608 1.00 33.27 C +ATOM 1773 CB ALA B 110 41.221 39.598 27.748 1.00 34.92 C +ATOM 1774 C ALA B 110 39.553 41.234 26.896 1.00 34.02 C +ATOM 1775 O ALA B 110 39.808 42.277 27.496 1.00 35.20 O +ATOM 1776 N LEU B 111 39.149 41.213 25.623 1.00 34.59 N +ATOM 1777 CA LEU B 111 38.963 42.462 24.897 1.00 33.80 C +ATOM 1778 CB LEU B 111 38.837 42.213 23.388 1.00 33.54 C +ATOM 1779 CG LEU B 111 40.176 41.707 22.789 1.00 33.81 C +ATOM 1780 CD1 LEU B 111 39.921 41.109 21.414 1.00 34.36 C +ATOM 1781 CD2 LEU B 111 41.282 42.751 22.742 1.00 30.66 C +ATOM 1782 C LEU B 111 37.746 43.205 25.477 1.00 35.10 C +ATOM 1783 O LEU B 111 36.663 42.620 25.646 1.00 29.49 O +ATOM 1784 N PRO B 112 37.930 44.491 25.798 1.00 39.13 N +ATOM 1785 CA PRO B 112 36.839 45.245 26.383 1.00 42.23 C +ATOM 1786 CB PRO B 112 37.495 46.570 26.793 1.00 44.22 C +ATOM 1787 CG PRO B 112 38.624 46.742 25.851 1.00 46.11 C +ATOM 1788 CD PRO B 112 39.092 45.352 25.504 1.00 44.91 C +ATOM 1789 C PRO B 112 35.746 45.452 25.350 1.00 44.62 C +ATOM 1790 O PRO B 112 36.022 45.915 24.245 1.00 47.22 O +ATOM 1791 N ARG B 113 34.525 45.084 25.718 1.00 46.31 N +ATOM 1792 CA ARG B 113 33.394 45.107 24.813 1.00 43.05 C +ATOM 1793 CB ARG B 113 32.276 44.232 25.376 1.00 47.56 C +ATOM 1794 CG ARG B 113 31.292 43.715 24.338 1.00 60.67 C +ATOM 1795 CD ARG B 113 30.144 42.964 24.989 1.00 69.92 C +ATOM 1796 NE ARG B 113 30.642 41.896 25.863 1.00 78.04 N +ATOM 1797 CZ ARG B 113 30.025 41.419 26.949 1.00 82.20 C +ATOM 1798 NH1 ARG B 113 28.834 41.890 27.352 1.00 80.78 N +ATOM 1799 NH2 ARG B 113 30.608 40.439 27.648 1.00 78.40 N +ATOM 1800 C ARG B 113 32.929 46.553 24.611 1.00 38.00 C +ATOM 1801 O ARG B 113 32.969 47.344 25.532 1.00 39.94 O +ATOM 1802 N ASP B 114 32.541 46.894 23.391 1.00 35.06 N +ATOM 1803 CA ASP B 114 31.970 48.203 23.073 1.00 31.66 C +ATOM 1804 CB ASP B 114 31.962 48.410 21.546 1.00 31.47 C +ATOM 1805 CG ASP B 114 31.634 49.856 21.144 1.00 34.61 C +ATOM 1806 OD1 ASP B 114 32.570 50.679 21.117 1.00 38.94 O +ATOM 1807 OD2 ASP B 114 30.449 50.184 20.875 1.00 31.73 O +ATOM 1808 C ASP B 114 30.527 48.290 23.650 1.00 30.60 C +ATOM 1809 O ASP B 114 29.817 47.280 23.680 1.00 28.88 O +ATOM 1810 N PRO B 115 30.077 49.488 24.101 1.00 28.18 N +ATOM 1811 CA PRO B 115 28.703 49.576 24.646 1.00 29.50 C +ATOM 1812 CB PRO B 115 28.551 51.066 25.014 1.00 29.60 C +ATOM 1813 CG PRO B 115 29.936 51.586 25.139 1.00 30.37 C +ATOM 1814 CD PRO B 115 30.780 50.787 24.187 1.00 29.65 C +ATOM 1815 C PRO B 115 27.572 49.166 23.678 1.00 30.43 C +ATOM 1816 O PRO B 115 26.480 48.813 24.124 1.00 28.81 O +ATOM 1817 N ARG B 116 27.829 49.247 22.376 1.00 29.99 N +ATOM 1818 CA ARG B 116 26.839 48.930 21.360 1.00 29.69 C +ATOM 1819 CB ARG B 116 27.089 49.764 20.110 1.00 29.19 C +ATOM 1820 CG ARG B 116 26.804 51.223 20.395 1.00 29.28 C +ATOM 1821 CD ARG B 116 27.376 52.056 19.304 1.00 29.37 C +ATOM 1822 NE ARG B 116 28.838 52.061 19.350 1.00 28.28 N +ATOM 1823 CZ ARG B 116 29.634 52.489 18.373 1.00 29.47 C +ATOM 1824 NH1 ARG B 116 29.160 52.954 17.212 1.00 32.67 N +ATOM 1825 NH2 ARG B 116 30.945 52.442 18.554 1.00 30.81 N +ATOM 1826 C ARG B 116 26.766 47.446 21.020 1.00 29.08 C +ATOM 1827 O ARG B 116 25.822 47.028 20.355 1.00 32.88 O +ATOM 1828 N GLN B 117 27.738 46.651 21.448 1.00 28.88 N +ATOM 1829 CA GLN B 117 27.673 45.196 21.251 1.00 30.49 C +ATOM 1830 CB GLN B 117 29.073 44.562 21.395 1.00 30.23 C +ATOM 1831 CG GLN B 117 30.035 45.025 20.303 1.00 28.80 C +ATOM 1832 CD GLN B 117 31.490 44.585 20.475 1.00 29.37 C +ATOM 1833 OE1 GLN B 117 32.087 44.701 21.539 1.00 26.92 O +ATOM 1834 NE2 GLN B 117 32.090 44.153 19.387 1.00 32.90 N +ATOM 1835 C GLN B 117 26.663 44.569 22.237 1.00 32.07 C +ATOM 1836 O GLN B 117 26.498 45.036 23.373 1.00 29.03 O +ATOM 1837 N SER B 118 25.989 43.523 21.777 1.00 34.24 N +ATOM 1838 CA SER B 118 24.994 42.804 22.565 1.00 36.01 C +ATOM 1839 CB SER B 118 24.041 42.037 21.632 1.00 37.74 C +ATOM 1840 OG SER B 118 23.376 40.982 22.314 1.00 41.02 O +ATOM 1841 C SER B 118 25.615 41.836 23.572 1.00 35.01 C +ATOM 1842 O SER B 118 26.369 40.915 23.194 1.00 38.76 O +ATOM 1843 N THR B 119 25.277 42.036 24.850 1.00 32.89 N +ATOM 1844 CA THR B 119 25.638 41.097 25.916 1.00 33.97 C +ATOM 1845 CB THR B 119 25.175 41.597 27.303 1.00 36.96 C +ATOM 1846 OG1 THR B 119 25.588 42.955 27.496 1.00 39.10 O +ATOM 1847 CG2 THR B 119 25.731 40.725 28.439 1.00 37.32 C +ATOM 1848 C THR B 119 25.019 39.721 25.690 1.00 32.05 C +ATOM 1849 O THR B 119 25.653 38.706 25.995 1.00 35.99 O +ATOM 1850 N ALA B 120 23.787 39.688 25.169 1.00 29.75 N +ATOM 1851 CA ALA B 120 23.112 38.419 24.865 1.00 30.24 C +ATOM 1852 CB ALA B 120 21.652 38.649 24.501 1.00 30.56 C +ATOM 1853 C ALA B 120 23.830 37.687 23.742 1.00 29.27 C +ATOM 1854 O ALA B 120 24.059 36.484 23.821 1.00 27.31 O +ATOM 1855 N ALA B 121 24.181 38.428 22.699 1.00 28.38 N +ATOM 1856 CA ALA B 121 24.999 37.891 21.627 1.00 29.75 C +ATOM 1857 CB ALA B 121 25.316 38.963 20.605 1.00 27.73 C +ATOM 1858 C ALA B 121 26.275 37.269 22.176 1.00 29.93 C +ATOM 1859 O ALA B 121 26.545 36.110 21.894 1.00 30.23 O +ATOM 1860 N ALA B 122 27.019 38.009 22.999 1.00 31.21 N +ATOM 1861 CA ALA B 122 28.301 37.486 23.550 1.00 30.24 C +ATOM 1862 CB ALA B 122 29.058 38.561 24.313 1.00 26.96 C +ATOM 1863 C ALA B 122 28.085 36.261 24.444 1.00 30.04 C +ATOM 1864 O ALA B 122 28.879 35.324 24.435 1.00 27.75 O +ATOM 1865 N ALA B 123 26.985 36.266 25.191 1.00 32.07 N +ATOM 1866 CA ALA B 123 26.593 35.108 25.987 1.00 31.62 C +ATOM 1867 CB ALA B 123 25.439 35.474 26.895 1.00 31.43 C +ATOM 1868 C ALA B 123 26.228 33.876 25.136 1.00 33.54 C +ATOM 1869 O ALA B 123 26.547 32.745 25.516 1.00 36.93 O +ATOM 1870 N GLU B 124 25.559 34.093 24.003 1.00 33.51 N +ATOM 1871 CA GLU B 124 25.221 32.996 23.091 1.00 36.37 C +ATOM 1872 CB GLU B 124 24.227 33.455 21.999 1.00 42.48 C +ATOM 1873 CG GLU B 124 22.764 33.263 22.403 1.00 47.71 C +ATOM 1874 CD GLU B 124 21.794 33.374 21.238 1.00 56.19 C +ATOM 1875 OE1 GLU B 124 21.977 34.289 20.411 1.00 60.54 O +ATOM 1876 OE2 GLU B 124 20.832 32.570 21.180 1.00 63.70 O +ATOM 1877 C GLU B 124 26.459 32.335 22.466 1.00 33.85 C +ATOM 1878 O GLU B 124 26.523 31.106 22.400 1.00 28.20 O +ATOM 1879 N ILE B 125 27.429 33.124 22.001 1.00 33.96 N +ATOM 1880 CA ILE B 125 28.665 32.534 21.454 1.00 36.49 C +ATOM 1881 CB ILE B 125 29.552 33.525 20.667 1.00 42.22 C +ATOM 1882 CG1 ILE B 125 30.686 32.747 19.972 1.00 46.70 C +ATOM 1883 CD1 ILE B 125 31.285 33.486 18.797 1.00 51.03 C +ATOM 1884 CG2 ILE B 125 30.123 34.639 21.539 1.00 41.19 C +ATOM 1885 C ILE B 125 29.480 31.813 22.525 1.00 34.43 C +ATOM 1886 O ILE B 125 29.943 30.698 22.310 1.00 28.16 O +ATOM 1887 N LYS B 126 29.619 32.436 23.686 1.00 35.79 N +ATOM 1888 CA LYS B 126 30.292 31.811 24.812 1.00 36.84 C +ATOM 1889 CB LYS B 126 30.273 32.766 26.000 1.00 36.95 C +ATOM 1890 CG LYS B 126 30.904 32.236 27.269 1.00 38.57 C +ATOM 1891 CD LYS B 126 30.986 33.350 28.315 1.00 38.69 C +ATOM 1892 CE LYS B 126 31.784 32.958 29.545 1.00 36.94 C +ATOM 1893 NZ LYS B 126 31.771 31.499 29.823 1.00 39.18 N +ATOM 1894 C LYS B 126 29.654 30.470 25.173 1.00 37.34 C +ATOM 1895 O LYS B 126 30.361 29.495 25.418 1.00 39.96 O +ATOM 1896 N ARG B 127 28.323 30.434 25.191 1.00 35.65 N +ATOM 1897 CA ARG B 127 27.582 29.209 25.471 1.00 35.49 C +ATOM 1898 CB ARG B 127 26.067 29.503 25.481 1.00 39.01 C +ATOM 1899 CG ARG B 127 25.152 28.309 25.728 1.00 37.12 C +ATOM 1900 CD ARG B 127 23.694 28.724 25.716 1.00 37.68 C +ATOM 1901 NE ARG B 127 22.872 27.598 25.291 1.00 44.36 N +ATOM 1902 CZ ARG B 127 22.626 27.232 24.028 1.00 48.57 C +ATOM 1903 NH1 ARG B 127 23.144 27.904 22.996 1.00 53.91 N +ATOM 1904 NH2 ARG B 127 21.860 26.163 23.793 1.00 47.59 N +ATOM 1905 C ARG B 127 27.937 28.106 24.468 1.00 33.64 C +ATOM 1906 O ARG B 127 28.322 27.012 24.851 1.00 31.51 O +ATOM 1907 N ASN B 128 27.839 28.418 23.186 1.00 35.42 N +ATOM 1908 CA ASN B 128 28.159 27.438 22.133 1.00 35.45 C +ATOM 1909 CB ASN B 128 27.637 27.900 20.775 1.00 37.44 C +ATOM 1910 CG ASN B 128 26.175 27.651 20.620 1.00 34.06 C +ATOM 1911 OD1 ASN B 128 25.754 26.526 20.368 1.00 35.70 O +ATOM 1912 ND2 ASN B 128 25.390 28.685 20.789 1.00 35.70 N +ATOM 1913 C ASN B 128 29.638 27.098 22.023 1.00 34.13 C +ATOM 1914 O ASN B 128 29.959 25.969 21.678 1.00 34.24 O +ATOM 1915 N TYR B 129 30.519 28.055 22.314 1.00 31.11 N +ATOM 1916 CA TYR B 129 31.953 27.770 22.439 1.00 33.33 C +ATOM 1917 CB TYR B 129 32.762 29.016 22.841 1.00 33.75 C +ATOM 1918 CG TYR B 129 34.151 28.666 23.302 1.00 38.88 C +ATOM 1919 CD1 TYR B 129 35.157 28.348 22.377 1.00 44.95 C +ATOM 1920 CE1 TYR B 129 36.427 27.993 22.803 1.00 46.67 C +ATOM 1921 CZ TYR B 129 36.703 27.949 24.175 1.00 44.73 C +ATOM 1922 OH TYR B 129 37.959 27.594 24.604 1.00 47.40 O +ATOM 1923 CE2 TYR B 129 35.729 28.261 25.101 1.00 37.11 C +ATOM 1924 CD2 TYR B 129 34.465 28.610 24.668 1.00 37.54 C +ATOM 1925 C TYR B 129 32.170 26.681 23.471 1.00 33.94 C +ATOM 1926 O TYR B 129 32.829 25.694 23.191 1.00 38.07 O +ATOM 1927 N ASP B 130 31.610 26.882 24.662 1.00 38.44 N +ATOM 1928 CA ASP B 130 31.750 25.941 25.774 1.00 38.20 C +ATOM 1929 CB ASP B 130 31.043 26.456 27.044 1.00 41.07 C +ATOM 1930 CG ASP B 130 31.744 27.658 27.686 1.00 46.63 C +ATOM 1931 OD1 ASP B 130 33.001 27.745 27.647 1.00 47.29 O +ATOM 1932 OD2 ASP B 130 31.016 28.515 28.254 1.00 48.83 O +ATOM 1933 C ASP B 130 31.221 24.541 25.434 1.00 37.78 C +ATOM 1934 O ASP B 130 31.841 23.554 25.804 1.00 39.40 O +ATOM 1935 N ILE B 131 30.088 24.450 24.739 1.00 36.26 N +ATOM 1936 CA ILE B 131 29.532 23.142 24.363 1.00 35.33 C +ATOM 1937 CB ILE B 131 28.132 23.254 23.702 1.00 37.69 C +ATOM 1938 CG1 ILE B 131 27.091 23.766 24.703 1.00 36.53 C +ATOM 1939 CD1 ILE B 131 25.764 24.129 24.068 1.00 37.34 C +ATOM 1940 CG2 ILE B 131 27.669 21.896 23.162 1.00 38.70 C +ATOM 1941 C ILE B 131 30.486 22.412 23.421 1.00 34.12 C +ATOM 1942 O ILE B 131 30.763 21.229 23.608 1.00 32.12 O +ATOM 1943 N TYR B 132 30.984 23.129 22.415 1.00 37.11 N +ATOM 1944 CA TYR B 132 31.853 22.543 21.383 1.00 36.93 C +ATOM 1945 CB TYR B 132 31.963 23.494 20.181 1.00 35.29 C +ATOM 1946 CG TYR B 132 32.762 23.004 18.981 1.00 38.82 C +ATOM 1947 CD1 TYR B 132 32.795 21.652 18.609 1.00 41.54 C +ATOM 1948 CE1 TYR B 132 33.524 21.230 17.499 1.00 44.68 C +ATOM 1949 CZ TYR B 132 34.220 22.168 16.731 1.00 45.88 C +ATOM 1950 OH TYR B 132 34.936 21.771 15.623 1.00 50.43 O +ATOM 1951 CE2 TYR B 132 34.191 23.511 17.079 1.00 40.91 C +ATOM 1952 CD2 TYR B 132 33.468 23.916 18.190 1.00 39.73 C +ATOM 1953 C TYR B 132 33.219 22.216 21.972 1.00 37.80 C +ATOM 1954 O TYR B 132 33.723 21.092 21.795 1.00 37.14 O +ATOM 1955 N HIS B 133 33.787 23.182 22.700 1.00 37.17 N +ATOM 1956 CA HIS B 133 35.033 22.979 23.440 1.00 35.74 C +ATOM 1957 CB HIS B 133 35.368 24.180 24.339 1.00 35.99 C +ATOM 1958 CG HIS B 133 36.480 23.896 25.294 1.00 39.02 C +ATOM 1959 ND1 HIS B 133 36.267 23.430 26.575 1.00 41.13 N +ATOM 1960 CE1 HIS B 133 37.430 23.229 27.166 1.00 42.48 C +ATOM 1961 NE2 HIS B 133 38.389 23.521 26.307 1.00 41.25 N +ATOM 1962 CD2 HIS B 133 37.820 23.933 25.126 1.00 43.50 C +ATOM 1963 C HIS B 133 34.981 21.722 24.295 1.00 35.96 C +ATOM 1964 O HIS B 133 35.907 20.905 24.262 1.00 38.66 O +ATOM 1965 N ASN B 134 33.899 21.586 25.056 1.00 36.21 N +ATOM 1966 CA ASN B 134 33.738 20.472 25.994 1.00 39.24 C +ATOM 1967 CB ASN B 134 32.560 20.701 26.966 1.00 40.64 C +ATOM 1968 CG ASN B 134 32.820 21.815 27.991 1.00 42.29 C +ATOM 1969 OD1 ASN B 134 31.968 22.069 28.845 1.00 46.90 O +ATOM 1970 ND2 ASN B 134 33.971 22.492 27.900 1.00 40.25 N +ATOM 1971 C ASN B 134 33.569 19.143 25.263 1.00 37.72 C +ATOM 1972 O ASN B 134 34.200 18.152 25.625 1.00 37.68 O +ATOM 1973 N ALA B 135 32.750 19.126 24.222 1.00 37.41 N +ATOM 1974 CA ALA B 135 32.596 17.919 23.404 1.00 41.21 C +ATOM 1975 CB ALA B 135 31.635 18.162 22.259 1.00 42.46 C +ATOM 1976 C ALA B 135 33.950 17.436 22.879 1.00 43.40 C +ATOM 1977 O ALA B 135 34.203 16.229 22.866 1.00 48.71 O +ATOM 1978 N LEU B 136 34.829 18.370 22.494 1.00 38.48 N +ATOM 1979 CA LEU B 136 36.163 17.996 22.012 1.00 39.13 C +ATOM 1980 CB LEU B 136 36.852 19.148 21.287 1.00 40.22 C +ATOM 1981 CG LEU B 136 36.281 19.546 19.910 1.00 43.11 C +ATOM 1982 CD1 LEU B 136 37.176 20.609 19.255 1.00 45.73 C +ATOM 1983 CD2 LEU B 136 36.115 18.351 18.986 1.00 41.81 C +ATOM 1984 C LEU B 136 37.055 17.458 23.130 1.00 38.62 C +ATOM 1985 O LEU B 136 37.759 16.460 22.934 1.00 35.34 O +ATOM 1986 N ALA B 137 37.022 18.103 24.295 1.00 39.19 N +ATOM 1987 CA ALA B 137 37.715 17.585 25.493 1.00 36.54 C +ATOM 1988 CB ALA B 137 37.564 18.552 26.648 1.00 35.61 C +ATOM 1989 C ALA B 137 37.209 16.191 25.911 1.00 37.13 C +ATOM 1990 O ALA B 137 37.981 15.360 26.406 1.00 31.37 O +ATOM 1991 N GLU B 138 35.916 15.947 25.697 1.00 38.66 N +ATOM 1992 CA GLU B 138 35.305 14.647 25.967 1.00 38.58 C +ATOM 1993 CB GLU B 138 33.781 14.779 25.917 1.00 42.04 C +ATOM 1994 CG GLU B 138 33.004 13.683 26.631 1.00 45.91 C +ATOM 1995 CD GLU B 138 31.609 14.133 27.061 1.00 49.22 C +ATOM 1996 OE1 GLU B 138 31.077 15.138 26.533 1.00 53.30 O +ATOM 1997 OE2 GLU B 138 31.031 13.476 27.951 1.00 56.06 O +ATOM 1998 C GLU B 138 35.779 13.569 24.981 1.00 37.77 C +ATOM 1999 O GLU B 138 35.958 12.413 25.369 1.00 35.92 O +ATOM 2000 N LEU B 139 35.981 13.957 23.717 1.00 38.50 N +ATOM 2001 CA LEU B 139 36.493 13.035 22.704 1.00 36.60 C +ATOM 2002 CB LEU B 139 36.444 13.674 21.319 1.00 34.05 C +ATOM 2003 CG LEU B 139 35.079 13.882 20.667 1.00 31.87 C +ATOM 2004 CD1 LEU B 139 35.189 14.744 19.425 1.00 31.90 C +ATOM 2005 CD2 LEU B 139 34.442 12.564 20.299 1.00 32.22 C +ATOM 2006 C LEU B 139 37.919 12.541 23.009 1.00 40.25 C +ATOM 2007 O LEU B 139 38.231 11.370 22.799 1.00 35.16 O +ATOM 2008 N ILE B 140 38.776 13.433 23.508 1.00 44.75 N +ATOM 2009 CA ILE B 140 40.130 13.059 23.952 1.00 42.95 C +ATOM 2010 CB ILE B 140 40.902 14.275 24.525 1.00 41.52 C +ATOM 2011 CG1 ILE B 140 41.274 15.247 23.396 1.00 45.34 C +ATOM 2012 CD1 ILE B 140 41.576 16.670 23.842 1.00 47.44 C +ATOM 2013 CG2 ILE B 140 42.170 13.855 25.257 1.00 40.75 C +ATOM 2014 C ILE B 140 40.066 11.917 24.989 1.00 47.93 C +ATOM 2015 O ILE B 140 40.810 10.932 24.888 1.00 47.19 O +ATOM 2016 N GLN B 141 39.165 12.042 25.970 1.00 47.10 N +ATOM 2017 CA GLN B 141 39.065 11.037 27.032 1.00 47.46 C +ATOM 2018 CB GLN B 141 38.292 11.582 28.225 1.00 50.30 C +ATOM 2019 CG GLN B 141 39.174 12.574 29.004 1.00 52.93 C +ATOM 2020 CD GLN B 141 38.406 13.664 29.724 1.00 59.52 C +ATOM 2021 OE1 GLN B 141 38.816 14.827 29.718 1.00 60.55 O +ATOM 2022 NE2 GLN B 141 37.286 13.301 30.346 1.00 64.64 N +ATOM 2023 C GLN B 141 38.508 9.706 26.543 1.00 46.40 C +ATOM 2024 O GLN B 141 39.006 8.657 26.949 1.00 45.05 O +ATOM 2025 N LEU B 142 37.508 9.743 25.663 1.00 48.76 N +ATOM 2026 CA LEU B 142 36.935 8.500 25.135 1.00 53.28 C +ATOM 2027 CB LEU B 142 35.845 8.758 24.106 1.00 60.43 C +ATOM 2028 CG LEU B 142 35.990 8.450 22.576 1.00 72.81 C +ATOM 2029 CD1 LEU B 142 36.660 9.484 21.669 1.00 75.12 C +ATOM 2030 CD2 LEU B 142 36.398 7.045 22.104 1.00 74.85 C +ATOM 2031 C LEU B 142 37.975 7.631 24.470 1.00 52.64 C +ATOM 2032 O LEU B 142 38.006 6.421 24.678 1.00 53.16 O +ATOM 2033 N LEU B 143 38.809 8.264 23.648 1.00 51.46 N +ATOM 2034 CA LEU B 143 39.746 7.555 22.793 1.00 49.15 C +ATOM 2035 CB LEU B 143 40.227 8.463 21.656 1.00 47.42 C +ATOM 2036 CG LEU B 143 40.836 7.807 20.414 1.00 48.26 C +ATOM 2037 CD1 LEU B 143 39.911 6.783 19.779 1.00 49.80 C +ATOM 2038 CD2 LEU B 143 41.197 8.874 19.383 1.00 48.98 C +ATOM 2039 C LEU B 143 40.889 7.038 23.655 1.00 48.25 C +ATOM 2040 O LEU B 143 41.320 5.897 23.479 1.00 49.56 O +ATOM 2041 N GLY B 144 41.338 7.859 24.613 1.00 47.28 N +ATOM 2042 CA GLY B 144 42.269 7.431 25.663 1.00 47.89 C +ATOM 2043 C GLY B 144 41.792 6.230 26.477 1.00 48.59 C +ATOM 2044 O GLY B 144 42.611 5.446 26.961 1.00 51.00 O +ATOM 2045 N ALA B 145 40.473 6.103 26.635 1.00 48.94 N +ATOM 2046 CA ALA B 145 39.830 4.941 27.261 1.00 49.61 C +ATOM 2047 CB ALA B 145 38.688 5.420 28.153 1.00 49.52 C +ATOM 2048 C ALA B 145 39.313 3.891 26.256 1.00 49.40 C +ATOM 2049 O ALA B 145 38.449 3.077 26.592 1.00 51.72 O +ATOM 2050 N GLY B 146 39.821 3.902 25.022 1.00 46.98 N +ATOM 2051 CA GLY B 146 39.357 2.970 23.977 1.00 48.93 C +ATOM 2052 C GLY B 146 38.029 3.428 23.403 1.00 53.18 C +ATOM 2053 O GLY B 146 37.988 4.276 22.530 1.00 63.71 O +ATOM 2054 N LYS B 147 36.937 2.906 23.953 1.00 57.13 N +ATOM 2055 CA LYS B 147 35.543 3.091 23.460 1.00 61.61 C +ATOM 2056 CB LYS B 147 34.591 3.487 24.621 1.00 66.89 C +ATOM 2057 CG LYS B 147 34.896 4.796 25.360 1.00 70.05 C +ATOM 2058 CD LYS B 147 34.148 4.892 26.695 1.00 72.28 C +ATOM 2059 CE LYS B 147 35.044 4.734 27.918 1.00 70.81 C +ATOM 2060 NZ LYS B 147 35.848 3.484 27.891 1.00 72.92 N +ATOM 2061 C LYS B 147 35.227 3.902 22.176 1.00 58.83 C +ATOM 2062 O LYS B 147 34.499 4.913 22.191 1.00 55.36 O +ATOM 2063 N ILE B 148 35.772 3.391 21.083 1.00 57.19 N +ATOM 2064 CA ILE B 148 35.660 3.995 19.752 1.00 58.78 C +ATOM 2065 CB ILE B 148 36.450 3.156 18.696 1.00 59.86 C +ATOM 2066 CG1 ILE B 148 36.549 3.887 17.349 1.00 62.22 C +ATOM 2067 CD1 ILE B 148 37.239 5.235 17.422 1.00 66.64 C +ATOM 2068 CG2 ILE B 148 35.841 1.769 18.489 1.00 59.96 C +ATOM 2069 C ILE B 148 34.231 4.255 19.242 1.00 61.19 C +ATOM 2070 O ILE B 148 33.965 5.333 18.695 1.00 61.35 O +ATOM 2071 N ASN B 149 33.332 3.282 19.418 1.00 60.37 N +ATOM 2072 CA ASN B 149 32.019 3.305 18.739 1.00 59.65 C +ATOM 2073 CB ASN B 149 31.265 1.982 18.910 1.00 57.83 C +ATOM 2074 CG ASN B 149 32.104 0.788 18.536 1.00 57.75 C +ATOM 2075 OD1 ASN B 149 32.349 -0.088 19.356 1.00 58.37 O +ATOM 2076 ND2 ASN B 149 32.612 0.787 17.319 1.00 58.95 N +ATOM 2077 C ASN B 149 31.136 4.448 19.203 1.00 60.76 C +ATOM 2078 O ASN B 149 30.538 5.136 18.379 1.00 57.40 O +ATOM 2079 N GLU B 150 31.061 4.643 20.517 1.00 68.84 N +ATOM 2080 CA GLU B 150 30.189 5.668 21.089 1.00 80.34 C +ATOM 2081 CB GLU B 150 29.940 5.438 22.589 1.00 87.51 C +ATOM 2082 CG GLU B 150 31.158 5.388 23.513 1.00 90.07 C +ATOM 2083 CD GLU B 150 30.865 4.695 24.841 1.00 93.75 C +ATOM 2084 OE1 GLU B 150 30.323 3.563 24.842 1.00 88.27 O +ATOM 2085 OE2 GLU B 150 31.189 5.283 25.895 1.00 95.89 O +ATOM 2086 C GLU B 150 30.666 7.092 20.805 1.00 79.16 C +ATOM 2087 O GLU B 150 29.844 8.026 20.765 1.00 82.52 O +ATOM 2088 N PHE B 151 31.969 7.278 20.581 1.00 81.78 N +ATOM 2089 CA PHE B 151 32.422 8.646 20.197 1.00 80.42 C +ATOM 2090 CB PHE B 151 33.449 9.171 21.151 1.00 90.24 C +ATOM 2091 CG PHE B 151 32.898 9.560 22.510 1.00102.04 C +ATOM 2092 CD2 PHE B 151 32.481 10.860 22.777 1.00108.41 C +ATOM 2093 CE2 PHE B 151 31.988 11.208 24.028 1.00110.01 C +ATOM 2094 CZ PHE B 151 31.912 10.256 25.035 1.00111.15 C +ATOM 2095 CE1 PHE B 151 32.330 8.958 24.785 1.00111.04 C +ATOM 2096 CD1 PHE B 151 32.812 8.615 23.537 1.00106.03 C +ATOM 2097 C PHE B 151 32.870 8.825 18.762 1.00 66.25 C +ATOM 2098 O PHE B 151 33.498 9.807 18.427 1.00 72.41 O +ATOM 2099 N PHE B 152 32.545 7.856 17.913 1.00 56.95 N +ATOM 2100 CA PHE B 152 32.089 8.168 16.582 1.00 54.00 C +ATOM 2101 CB PHE B 152 32.373 7.069 15.572 1.00 51.01 C +ATOM 2102 CG PHE B 152 32.007 7.463 14.178 1.00 50.70 C +ATOM 2103 CD1 PHE B 152 32.716 8.471 13.526 1.00 50.55 C +ATOM 2104 CE1 PHE B 152 32.370 8.868 12.247 1.00 48.92 C +ATOM 2105 CZ PHE B 152 31.299 8.268 11.606 1.00 47.78 C +ATOM 2106 CE2 PHE B 152 30.580 7.283 12.249 1.00 46.18 C +ATOM 2107 CD2 PHE B 152 30.923 6.885 13.531 1.00 47.85 C +ATOM 2108 C PHE B 152 30.598 8.284 16.862 1.00 57.15 C +ATOM 2109 O PHE B 152 30.072 7.500 17.645 1.00 59.37 O +ATOM 2110 N ASP B 153 29.932 9.291 16.326 1.00 53.37 N +ATOM 2111 CA ASP B 153 28.500 9.530 16.646 1.00 52.35 C +ATOM 2112 CB ASP B 153 27.600 8.285 16.386 1.00 56.13 C +ATOM 2113 CG ASP B 153 27.323 7.405 17.637 1.00 59.12 C +ATOM 2114 OD1 ASP B 153 27.690 7.741 18.776 1.00 64.50 O +ATOM 2115 OD2 ASP B 153 26.673 6.355 17.470 1.00 52.95 O +ATOM 2116 C ASP B 153 28.212 10.238 17.993 1.00 46.85 C +ATOM 2117 O ASP B 153 27.050 10.403 18.349 1.00 41.72 O +ATOM 2118 N GLN B 154 29.231 10.685 18.736 1.00 45.63 N +ATOM 2119 CA GLN B 154 29.032 11.917 19.536 1.00 44.82 C +ATOM 2120 CB GLN B 154 30.335 12.455 20.170 1.00 43.38 C +ATOM 2121 CG GLN B 154 30.158 13.657 21.104 1.00 41.75 C +ATOM 2122 CD GLN B 154 31.412 14.536 21.304 1.00 42.22 C +ATOM 2123 OE1 GLN B 154 31.943 15.110 20.359 1.00 42.78 O +ATOM 2124 NE2 GLN B 154 31.870 14.651 22.545 1.00 40.10 N +ATOM 2125 C GLN B 154 28.520 12.925 18.487 1.00 45.15 C +ATOM 2126 O GLN B 154 29.152 13.062 17.421 1.00 49.85 O +ATOM 2127 N PRO B 155 27.379 13.607 18.743 1.00 44.15 N +ATOM 2128 CA PRO B 155 26.854 14.560 17.757 1.00 43.56 C +ATOM 2129 CB PRO B 155 25.435 14.822 18.264 1.00 41.66 C +ATOM 2130 CG PRO B 155 25.575 14.723 19.740 1.00 41.15 C +ATOM 2131 CD PRO B 155 26.571 13.611 19.976 1.00 42.88 C +ATOM 2132 C PRO B 155 27.697 15.842 17.725 1.00 46.90 C +ATOM 2133 O PRO B 155 27.198 16.924 18.011 1.00 52.54 O +ATOM 2134 N THR B 156 28.971 15.702 17.355 1.00 44.18 N +ATOM 2135 CA THR B 156 29.943 16.789 17.409 1.00 47.70 C +ATOM 2136 CB THR B 156 31.406 16.295 17.224 1.00 48.73 C +ATOM 2137 OG1 THR B 156 31.596 15.024 17.862 1.00 47.30 O +ATOM 2138 CG2 THR B 156 32.398 17.315 17.792 1.00 46.72 C +ATOM 2139 C THR B 156 29.649 17.777 16.296 1.00 45.85 C +ATOM 2140 O THR B 156 29.883 18.978 16.467 1.00 44.42 O +ATOM 2141 N GLN B 157 29.152 17.260 15.165 1.00 43.08 N +ATOM 2142 CA GLN B 157 28.715 18.097 14.049 1.00 41.95 C +ATOM 2143 CB GLN B 157 28.148 17.242 12.901 1.00 37.73 C +ATOM 2144 CG GLN B 157 28.028 17.976 11.569 1.00 38.93 C +ATOM 2145 CD GLN B 157 29.318 18.666 11.140 1.00 43.20 C +ATOM 2146 OE1 GLN B 157 30.402 18.064 11.136 1.00 41.41 O +ATOM 2147 NE2 GLN B 157 29.211 19.941 10.802 1.00 43.46 N +ATOM 2148 C GLN B 157 27.691 19.138 14.514 1.00 41.34 C +ATOM 2149 O GLN B 157 27.816 20.320 14.186 1.00 44.20 O +ATOM 2150 N GLY B 158 26.723 18.687 15.315 1.00 39.01 N +ATOM 2151 CA GLY B 158 25.719 19.550 15.910 1.00 37.53 C +ATOM 2152 C GLY B 158 26.333 20.643 16.752 1.00 37.68 C +ATOM 2153 O GLY B 158 25.979 21.811 16.597 1.00 34.33 O +ATOM 2154 N TYR B 159 27.271 20.268 17.624 1.00 39.80 N +ATOM 2155 CA TYR B 159 27.911 21.229 18.536 1.00 40.55 C +ATOM 2156 CB TYR B 159 28.761 20.526 19.596 1.00 41.06 C +ATOM 2157 CG TYR B 159 28.019 19.504 20.432 1.00 38.98 C +ATOM 2158 CD1 TYR B 159 26.722 19.748 20.906 1.00 35.92 C +ATOM 2159 CE1 TYR B 159 26.053 18.807 21.665 1.00 36.44 C +ATOM 2160 CZ TYR B 159 26.671 17.605 21.964 1.00 37.62 C +ATOM 2161 OH TYR B 159 26.020 16.656 22.718 1.00 35.35 O +ATOM 2162 CE2 TYR B 159 27.954 17.343 21.514 1.00 39.03 C +ATOM 2163 CD2 TYR B 159 28.622 18.292 20.758 1.00 38.53 C +ATOM 2164 C TYR B 159 28.777 22.241 17.802 1.00 41.58 C +ATOM 2165 O TYR B 159 28.777 23.418 18.158 1.00 44.08 O +ATOM 2166 N GLN B 160 29.503 21.789 16.777 1.00 43.11 N +ATOM 2167 CA GLN B 160 30.272 22.699 15.910 1.00 41.19 C +ATOM 2168 CB GLN B 160 31.137 21.912 14.920 1.00 39.19 C +ATOM 2169 CG GLN B 160 31.936 22.776 13.958 1.00 37.63 C +ATOM 2170 CD GLN B 160 32.773 21.957 13.020 1.00 36.88 C +ATOM 2171 OE1 GLN B 160 33.605 21.165 13.460 1.00 35.47 O +ATOM 2172 NE2 GLN B 160 32.555 22.131 11.720 1.00 33.95 N +ATOM 2173 C GLN B 160 29.351 23.641 15.140 1.00 41.20 C +ATOM 2174 O GLN B 160 29.628 24.843 15.050 1.00 45.09 O +ATOM 2175 N ASP B 161 28.277 23.102 14.572 1.00 40.16 N +ATOM 2176 CA ASP B 161 27.317 23.922 13.823 1.00 43.31 C +ATOM 2177 CB ASP B 161 26.219 23.054 13.184 1.00 43.52 C +ATOM 2178 CG ASP B 161 26.756 22.115 12.085 1.00 48.37 C +ATOM 2179 OD1 ASP B 161 27.834 22.379 11.512 1.00 54.83 O +ATOM 2180 OD2 ASP B 161 26.096 21.092 11.796 1.00 51.99 O +ATOM 2181 C ASP B 161 26.712 25.000 14.723 1.00 42.46 C +ATOM 2182 O ASP B 161 26.607 26.154 14.311 1.00 41.09 O +ATOM 2183 N GLY B 162 26.364 24.625 15.958 1.00 40.63 N +ATOM 2184 CA GLY B 162 25.912 25.570 16.982 1.00 38.46 C +ATOM 2185 C GLY B 162 26.869 26.735 17.146 1.00 43.64 C +ATOM 2186 O GLY B 162 26.454 27.896 17.139 1.00 44.11 O +ATOM 2187 N PHE B 163 28.161 26.419 17.258 1.00 40.18 N +ATOM 2188 CA PHE B 163 29.200 27.442 17.364 1.00 40.01 C +ATOM 2189 CB PHE B 163 30.548 26.819 17.767 1.00 40.38 C +ATOM 2190 CG PHE B 163 31.655 27.811 17.885 1.00 36.22 C +ATOM 2191 CD1 PHE B 163 31.798 28.574 19.029 1.00 38.96 C +ATOM 2192 CE1 PHE B 163 32.806 29.503 19.135 1.00 41.46 C +ATOM 2193 CZ PHE B 163 33.695 29.682 18.083 1.00 42.94 C +ATOM 2194 CE2 PHE B 163 33.556 28.940 16.931 1.00 40.10 C +ATOM 2195 CD2 PHE B 163 32.535 28.006 16.840 1.00 41.39 C +ATOM 2196 C PHE B 163 29.338 28.238 16.072 1.00 37.27 C +ATOM 2197 O PHE B 163 29.404 29.462 16.114 1.00 35.80 O +ATOM 2198 N GLU B 164 29.362 27.553 14.931 1.00 38.45 N +ATOM 2199 CA GLU B 164 29.546 28.239 13.651 1.00 39.84 C +ATOM 2200 CB GLU B 164 29.560 27.265 12.473 1.00 38.55 C +ATOM 2201 CG GLU B 164 30.020 27.916 11.169 1.00 39.54 C +ATOM 2202 CD GLU B 164 30.414 26.930 10.090 1.00 44.34 C +ATOM 2203 OE1 GLU B 164 30.131 25.715 10.228 1.00 45.06 O +ATOM 2204 OE2 GLU B 164 31.024 27.384 9.099 1.00 54.45 O +ATOM 2205 C GLU B 164 28.478 29.286 13.454 1.00 38.40 C +ATOM 2206 O GLU B 164 28.796 30.418 13.107 1.00 37.67 O +ATOM 2207 N LYS B 165 27.222 28.899 13.697 1.00 39.68 N +ATOM 2208 CA LYS B 165 26.059 29.804 13.601 1.00 38.32 C +ATOM 2209 CB LYS B 165 24.747 29.090 13.958 1.00 40.38 C +ATOM 2210 CG LYS B 165 24.261 28.124 12.873 1.00 42.70 C +ATOM 2211 CD LYS B 165 23.050 27.314 13.303 1.00 44.06 C +ATOM 2212 CE LYS B 165 21.782 28.157 13.298 1.00 47.90 C +ATOM 2213 NZ LYS B 165 20.558 27.387 13.658 1.00 45.41 N +ATOM 2214 C LYS B 165 26.241 31.064 14.454 1.00 41.11 C +ATOM 2215 O LYS B 165 26.078 32.165 13.937 1.00 40.86 O +ATOM 2216 N GLN B 166 26.611 30.915 15.729 1.00 40.55 N +ATOM 2217 CA GLN B 166 26.868 32.098 16.569 1.00 42.58 C +ATOM 2218 CB GLN B 166 27.018 31.739 18.050 1.00 48.99 C +ATOM 2219 CG GLN B 166 25.884 30.936 18.700 1.00 50.94 C +ATOM 2220 CD GLN B 166 24.496 31.410 18.312 1.00 49.79 C +ATOM 2221 OE1 GLN B 166 24.208 32.612 18.320 1.00 51.03 O +ATOM 2222 NE2 GLN B 166 23.628 30.469 17.963 1.00 46.84 N +ATOM 2223 C GLN B 166 28.104 32.884 16.112 1.00 41.12 C +ATOM 2224 O GLN B 166 28.100 34.113 16.139 1.00 40.31 O +ATOM 2225 N TYR B 167 29.142 32.172 15.680 1.00 41.12 N +ATOM 2226 CA TYR B 167 30.383 32.797 15.181 1.00 44.28 C +ATOM 2227 CB TYR B 167 31.446 31.711 14.882 1.00 43.70 C +ATOM 2228 CG TYR B 167 32.632 32.183 14.105 1.00 46.42 C +ATOM 2229 CD1 TYR B 167 33.589 32.975 14.697 1.00 50.06 C +ATOM 2230 CE1 TYR B 167 34.693 33.418 14.000 1.00 48.81 C +ATOM 2231 CZ TYR B 167 34.840 33.084 12.674 1.00 52.55 C +ATOM 2232 OH TYR B 167 35.946 33.549 11.988 1.00 58.18 O +ATOM 2233 CE2 TYR B 167 33.894 32.300 12.049 1.00 52.87 C +ATOM 2234 CD2 TYR B 167 32.798 31.846 12.768 1.00 53.71 C +ATOM 2235 C TYR B 167 30.077 33.679 13.963 1.00 42.17 C +ATOM 2236 O TYR B 167 30.365 34.872 13.951 1.00 37.42 O +ATOM 2237 N VAL B 168 29.425 33.104 12.968 1.00 40.87 N +ATOM 2238 CA VAL B 168 29.025 33.869 11.793 1.00 44.13 C +ATOM 2239 CB VAL B 168 28.362 32.957 10.726 1.00 43.80 C +ATOM 2240 CG1 VAL B 168 27.705 33.760 9.627 1.00 43.57 C +ATOM 2241 CG2 VAL B 168 29.379 31.992 10.118 1.00 44.16 C +ATOM 2242 C VAL B 168 28.113 35.049 12.180 1.00 44.41 C +ATOM 2243 O VAL B 168 28.262 36.144 11.625 1.00 48.32 O +ATOM 2244 N ALA B 169 27.179 34.836 13.114 1.00 41.72 N +ATOM 2245 CA ALA B 169 26.291 35.908 13.591 1.00 39.12 C +ATOM 2246 CB ALA B 169 25.229 35.348 14.519 1.00 40.49 C +ATOM 2247 C ALA B 169 27.060 37.022 14.293 1.00 42.14 C +ATOM 2248 O ALA B 169 26.765 38.205 14.071 1.00 41.44 O +ATOM 2249 N TYR B 170 28.043 36.655 15.124 1.00 45.17 N +ATOM 2250 CA TYR B 170 28.878 37.648 15.802 1.00 45.26 C +ATOM 2251 CB TYR B 170 29.823 36.989 16.819 1.00 47.97 C +ATOM 2252 CG TYR B 170 30.613 37.963 17.680 1.00 48.79 C +ATOM 2253 CD1 TYR B 170 30.105 38.433 18.889 1.00 50.29 C +ATOM 2254 CE1 TYR B 170 30.829 39.316 19.685 1.00 48.44 C +ATOM 2255 CZ TYR B 170 32.072 39.743 19.268 1.00 50.26 C +ATOM 2256 OH TYR B 170 32.791 40.620 20.038 1.00 57.49 O +ATOM 2257 CE2 TYR B 170 32.608 39.281 18.083 1.00 51.97 C +ATOM 2258 CD2 TYR B 170 31.884 38.392 17.299 1.00 52.66 C +ATOM 2259 C TYR B 170 29.647 38.479 14.768 1.00 47.91 C +ATOM 2260 O TYR B 170 29.591 39.707 14.826 1.00 53.83 O +ATOM 2261 N MET B 171 30.304 37.818 13.807 1.00 45.01 N +ATOM 2262 CA MET B 171 31.010 38.512 12.699 1.00 46.21 C +ATOM 2263 CB MET B 171 31.556 37.511 11.667 1.00 48.50 C +ATOM 2264 CG MET B 171 32.661 36.596 12.178 1.00 54.32 C +ATOM 2265 SD MET B 171 34.118 37.546 12.635 1.00 66.40 S +ATOM 2266 CE MET B 171 34.735 36.639 14.056 1.00 56.89 C +ATOM 2267 C MET B 171 30.118 39.515 11.968 1.00 45.44 C +ATOM 2268 O MET B 171 30.544 40.630 11.675 1.00 44.09 O +ATOM 2269 N GLU B 172 28.881 39.108 11.691 1.00 49.84 N +ATOM 2270 CA GLU B 172 27.897 39.967 11.029 1.00 56.73 C +ATOM 2271 CB GLU B 172 26.612 39.176 10.684 1.00 60.92 C +ATOM 2272 CG GLU B 172 25.825 39.795 9.514 1.00 66.08 C +ATOM 2273 CD GLU B 172 24.735 38.905 8.931 1.00 72.90 C +ATOM 2274 OE1 GLU B 172 25.009 37.705 8.697 1.00 73.86 O +ATOM 2275 OE2 GLU B 172 23.617 39.426 8.681 1.00 69.94 O +ATOM 2276 C GLU B 172 27.570 41.207 11.875 1.00 58.53 C +ATOM 2277 O GLU B 172 27.465 42.316 11.345 1.00 64.35 O +ATOM 2278 N GLN B 173 27.430 41.022 13.187 1.00 55.77 N +ATOM 2279 CA GLN B 173 27.145 42.144 14.094 1.00 56.56 C +ATOM 2280 CB GLN B 173 26.700 41.622 15.462 1.00 63.86 C +ATOM 2281 CG GLN B 173 26.586 42.645 16.586 1.00 69.38 C +ATOM 2282 CD GLN B 173 26.174 41.995 17.896 1.00 67.13 C +ATOM 2283 OE1 GLN B 173 25.156 41.303 17.955 1.00 65.74 O +ATOM 2284 NE2 GLN B 173 26.964 42.211 18.954 1.00 58.94 N +ATOM 2285 C GLN B 173 28.346 43.085 14.196 1.00 51.10 C +ATOM 2286 O GLN B 173 28.180 44.300 14.120 1.00 44.65 O +ATOM 2287 N ASN B 174 29.541 42.515 14.350 1.00 53.03 N +ATOM 2288 CA ASN B 174 30.799 43.292 14.401 1.00 57.79 C +ATOM 2289 CB ASN B 174 32.009 42.398 14.753 1.00 58.41 C +ATOM 2290 CG ASN B 174 32.290 42.335 16.236 1.00 58.99 C +ATOM 2291 OD1 ASN B 174 31.428 42.627 17.055 1.00 67.21 O +ATOM 2292 ND2 ASN B 174 33.511 41.962 16.590 1.00 66.97 N +ATOM 2293 C ASN B 174 31.103 44.052 13.110 1.00 58.30 C +ATOM 2294 O ASN B 174 31.580 45.188 13.169 1.00 54.55 O +ATOM 2295 N ASP B 175 30.846 43.429 11.960 1.00 59.63 N +ATOM 2296 CA ASP B 175 31.018 44.111 10.675 1.00 57.72 C +ATOM 2297 CB ASP B 175 30.957 43.128 9.486 1.00 62.83 C +ATOM 2298 CG ASP B 175 32.231 42.297 9.322 1.00 61.04 C +ATOM 2299 OD1 ASP B 175 33.334 42.778 9.664 1.00 67.06 O +ATOM 2300 OD2 ASP B 175 32.126 41.159 8.820 1.00 57.79 O +ATOM 2301 C ASP B 175 29.994 45.227 10.500 1.00 50.88 C +ATOM 2302 O ASP B 175 30.322 46.266 9.936 1.00 51.51 O +ATOM 2303 N ARG B 176 28.767 45.023 10.983 1.00 47.08 N +ATOM 2304 CA ARG B 176 27.757 46.084 10.946 1.00 48.96 C +ATOM 2305 CB ARG B 176 26.360 45.566 11.329 1.00 54.92 C +ATOM 2306 CG ARG B 176 25.314 46.678 11.480 1.00 59.44 C +ATOM 2307 CD ARG B 176 23.875 46.199 11.365 1.00 60.70 C +ATOM 2308 NE ARG B 176 22.988 47.325 11.039 1.00 65.90 N +ATOM 2309 CZ ARG B 176 22.606 48.286 11.888 1.00 64.03 C +ATOM 2310 NH1 ARG B 176 22.993 48.290 13.163 1.00 62.10 N +ATOM 2311 NH2 ARG B 176 21.812 49.262 11.458 1.00 62.54 N +ATOM 2312 C ARG B 176 28.179 47.245 11.849 1.00 44.61 C +ATOM 2313 O ARG B 176 27.982 48.409 11.494 1.00 44.76 O +ATOM 2314 N LEU B 177 28.762 46.921 13.001 1.00 38.62 N +ATOM 2315 CA LEU B 177 29.221 47.943 13.937 1.00 40.41 C +ATOM 2316 CB LEU B 177 29.518 47.323 15.317 1.00 36.33 C +ATOM 2317 CG LEU B 177 29.856 48.294 16.441 1.00 36.72 C +ATOM 2318 CD1 LEU B 177 28.743 49.317 16.642 1.00 34.55 C +ATOM 2319 CD2 LEU B 177 30.141 47.507 17.711 1.00 36.31 C +ATOM 2320 C LEU B 177 30.451 48.686 13.399 1.00 42.90 C +ATOM 2321 O LEU B 177 30.503 49.919 13.469 1.00 40.31 O +ATOM 2322 N HIS B 178 31.422 47.925 12.868 1.00 47.09 N +ATOM 2323 CA HIS B 178 32.590 48.464 12.125 1.00 44.75 C +ATOM 2324 CB HIS B 178 33.315 47.337 11.358 1.00 44.26 C +ATOM 2325 CG HIS B 178 34.408 47.818 10.444 1.00 44.59 C +ATOM 2326 ND1 HIS B 178 34.164 48.256 9.158 1.00 42.54 N +ATOM 2327 CE1 HIS B 178 35.302 48.618 8.593 1.00 40.81 C +ATOM 2328 NE2 HIS B 178 36.278 48.428 9.464 1.00 42.92 N +ATOM 2329 CD2 HIS B 178 35.747 47.928 10.630 1.00 43.89 C +ATOM 2330 C HIS B 178 32.185 49.556 11.149 1.00 44.74 C +ATOM 2331 O HIS B 178 32.756 50.649 11.163 1.00 45.98 O +ATOM 2332 N ASP B 179 31.191 49.251 10.318 1.00 45.60 N +ATOM 2333 CA ASP B 179 30.722 50.174 9.283 1.00 48.32 C +ATOM 2334 CB ASP B 179 29.807 49.467 8.261 1.00 48.32 C +ATOM 2335 CG ASP B 179 30.478 48.263 7.577 1.00 50.72 C +ATOM 2336 OD1 ASP B 179 31.729 48.227 7.455 1.00 50.34 O +ATOM 2337 OD2 ASP B 179 29.738 47.337 7.170 1.00 50.87 O +ATOM 2338 C ASP B 179 30.009 51.387 9.886 1.00 51.89 C +ATOM 2339 O ASP B 179 30.164 52.490 9.369 1.00 54.54 O +ATOM 2340 N ILE B 180 29.245 51.196 10.967 1.00 54.26 N +ATOM 2341 CA ILE B 180 28.568 52.321 11.641 1.00 54.92 C +ATOM 2342 CB ILE B 180 27.474 51.832 12.643 1.00 57.16 C +ATOM 2343 CG1 ILE B 180 26.278 51.224 11.896 1.00 60.44 C +ATOM 2344 CD1 ILE B 180 25.355 50.384 12.763 1.00 58.56 C +ATOM 2345 CG2 ILE B 180 26.985 52.951 13.545 1.00 56.03 C +ATOM 2346 C ILE B 180 29.587 53.232 12.345 1.00 53.04 C +ATOM 2347 O ILE B 180 29.397 54.456 12.387 1.00 50.38 O +ATOM 2348 N ALA B 181 30.655 52.637 12.887 1.00 52.78 N +ATOM 2349 CA ALA B 181 31.755 53.400 13.485 1.00 55.70 C +ATOM 2350 CB ALA B 181 32.672 52.481 14.275 1.00 53.76 C +ATOM 2351 C ALA B 181 32.564 54.179 12.435 1.00 55.88 C +ATOM 2352 O ALA B 181 32.874 55.355 12.633 1.00 60.82 O +ATOM 2353 N VAL B 182 32.906 53.520 11.325 1.00 53.28 N +ATOM 2354 CA VAL B 182 33.582 54.205 10.217 1.00 57.30 C +ATOM 2355 CB VAL B 182 34.306 53.212 9.252 1.00 55.98 C +ATOM 2356 CG1 VAL B 182 33.409 52.690 8.142 1.00 57.18 C +ATOM 2357 CG2 VAL B 182 35.551 53.859 8.656 1.00 55.54 C +ATOM 2358 C VAL B 182 32.655 55.250 9.543 1.00 61.09 C +ATOM 2359 O VAL B 182 33.148 56.248 9.015 1.00 64.34 O +ATOM 2360 N SER B 183 31.334 55.041 9.609 1.00 64.54 N +ATOM 2361 CA SER B 183 30.339 55.983 9.063 1.00 64.46 C +ATOM 2362 CB SER B 183 28.955 55.318 8.932 1.00 65.68 C +ATOM 2363 OG SER B 183 28.946 54.354 7.893 1.00 66.08 O +ATOM 2364 C SER B 183 30.190 57.273 9.868 1.00 62.00 C +ATOM 2365 O SER B 183 29.949 58.325 9.285 1.00 60.94 O +ATOM 2366 N ASP B 184 30.307 57.192 11.193 1.00 64.66 N +ATOM 2367 CA ASP B 184 30.269 58.390 12.051 1.00 65.36 C +ATOM 2368 CB ASP B 184 30.045 58.003 13.517 1.00 62.45 C +ATOM 2369 CG ASP B 184 28.702 57.327 13.752 1.00 60.11 C +ATOM 2370 OD1 ASP B 184 27.959 57.073 12.777 1.00 56.95 O +ATOM 2371 OD2 ASP B 184 28.395 57.044 14.927 1.00 58.09 O +ATOM 2372 C ASP B 184 31.546 59.235 11.920 1.00 72.39 C +ATOM 2373 O ASP B 184 31.499 60.462 12.085 1.00 70.82 O +ATOM 2374 N ASN B 185 32.672 58.567 11.635 1.00 80.07 N +ATOM 2375 CA ASN B 185 33.949 59.233 11.298 1.00 81.61 C +ATOM 2376 CB ASN B 185 35.090 58.198 11.096 1.00 87.36 C +ATOM 2377 CG ASN B 185 35.933 58.462 9.847 1.00 89.84 C +ATOM 2378 OD1 ASN B 185 35.619 57.969 8.765 1.00 94.85 O +ATOM 2379 ND2 ASN B 185 37.020 59.224 10.000 1.00 84.74 N +ATOM 2380 C ASN B 185 33.852 60.199 10.114 1.00 75.14 C +ATOM 2381 O ASN B 185 34.404 61.307 10.178 1.00 70.36 O +ATOM 2382 N ASN B 186 33.156 59.787 9.045 1.00 73.24 N +ATOM 2383 CA ASN B 186 33.007 60.675 7.866 1.00 71.33 C +ATOM 2384 CB ASN B 186 32.752 59.903 6.542 1.00 68.45 C +ATOM 2385 CG ASN B 186 31.522 59.033 6.588 1.00 67.35 C +ATOM 2386 OD1 ASN B 186 30.427 59.505 6.872 1.00 64.20 O +ATOM 2387 ND2 ASN B 186 31.694 57.753 6.289 1.00 65.40 N +ATOM 2388 C ASN B 186 32.086 61.914 8.064 1.00 70.21 C +ATOM 2389 O ASN B 186 32.042 62.778 7.181 1.00 70.14 O +ATOM 2390 N ALA B 187 31.397 62.016 9.213 1.00 65.66 N +ATOM 2391 CA ALA B 187 30.759 63.257 9.640 1.00 62.28 C +ATOM 2392 CB ALA B 187 29.729 62.989 10.732 1.00 59.49 C +ATOM 2393 C ALA B 187 31.829 64.244 10.126 1.00 61.60 C +ATOM 2394 O ALA B 187 32.849 63.826 10.686 1.00 62.76 O +ATOM 2395 N SER B 188 31.598 65.532 9.856 1.00 60.50 N +ATOM 2396 CA SER B 188 32.546 66.622 10.138 1.00 59.54 C +ATOM 2397 CB SER B 188 32.713 66.824 11.649 1.00 59.35 C +ATOM 2398 OG SER B 188 33.331 68.070 11.924 1.00 58.96 O +ATOM 2399 C SER B 188 33.915 66.426 9.473 1.00 58.00 C +ATOM 2400 O SER B 188 34.720 67.371 9.401 1.00 55.36 O +TER 2401 SER B 188 +ATOM 2402 N SER A 201 46.560 11.959 5.745 1.00 44.17 N +ATOM 2403 CA SER A 201 45.150 12.339 6.059 1.00 42.02 C +ATOM 2404 CB SER A 201 44.467 11.212 6.812 1.00 42.87 C +ATOM 2405 OG SER A 201 43.101 11.491 6.942 1.00 45.13 O +ATOM 2406 C SER A 201 45.068 13.602 6.907 1.00 41.49 C +ATOM 2407 O SER A 201 44.080 14.354 6.837 1.00 38.27 O +ATOM 2408 OXT SER A 201 45.986 13.876 7.689 1.00 38.63 O +ATOM 2409 N SER B 201 31.589 12.510 16.565 1.00 41.85 N +ATOM 2410 CA SER B 201 33.002 12.778 16.192 1.00 41.74 C +ATOM 2411 CB SER B 201 33.635 11.533 15.582 1.00 40.70 C +ATOM 2412 OG SER B 201 35.001 11.467 15.903 1.00 35.14 O +ATOM 2413 C SER B 201 33.059 13.897 15.182 1.00 45.67 C +ATOM 2414 O SER B 201 32.148 14.017 14.357 1.00 49.43 O +ATOM 2415 OXT SER B 201 34.011 14.682 15.154 1.00 44.09 O +HETATM 2416 O HOH A 302 55.878 27.146 1.713 1.00 54.57 O +HETATM 2417 O HOH A 306 54.482 21.087 9.033 1.00 51.09 O +HETATM 2418 O HOH A 309 55.175 21.466 -0.629 1.00 57.21 O +HETATM 2419 O HOH A 310 53.478 22.190 1.286 1.00 56.17 O +HETATM 2420 O HOH A 312 48.614 14.378 7.668 1.00 61.37 O +HETATM 2421 O HOH A 316 43.303 45.713 10.471 1.00 67.64 O +HETATM 2422 O HOH A 317 28.852 20.781 2.994 1.00 54.90 O +HETATM 2423 O HOH A 319 49.615 63.058 0.910 1.00 75.91 O +HETATM 2424 O HOH A 323 23.168 10.968 8.686 1.00 72.17 O +HETATM 2425 O HOH A 326 43.573 53.218 -1.967 1.00 72.10 O +HETATM 2426 O HOH A 327 41.311 57.377 -3.342 1.00 75.41 O +HETATM 2427 O HOH A 328 50.366 43.879 -7.557 1.00 52.56 O +HETATM 2428 O HOH A 330 40.163 59.253 1.393 1.00 73.02 O +HETATM 2429 O HOH A 333 56.781 21.891 -3.032 1.00 65.54 O +HETATM 2430 O HOH A 334 54.945 22.721 6.240 1.00 54.75 O +HETATM 2431 O HOH B 301 38.714 28.297 27.421 1.00 60.96 O +HETATM 2432 O HOH B 303 33.909 30.700 7.107 1.00 56.31 O +HETATM 2433 O HOH B 304 35.566 40.668 23.766 1.00 46.94 O +HETATM 2434 O HOH B 306 55.795 11.059 13.654 1.00 60.60 O +HETATM 2435 O HOH B 312 23.890 21.481 22.562 1.00 69.94 O +HETATM 2436 O HOH B 314 36.407 45.410 8.916 1.00 71.65 O +HETATM 2437 O HOH B 316 47.374 -5.576 14.325 1.00 70.65 O +HETATM 2438 O HOH B 325 38.325 61.196 18.644 1.00 84.82 O +HETATM 2439 O HOH B 329 44.098 19.153 12.071 1.00 47.47 O +END diff --git a/tests/test_data/5fyp_0cyc.mtz b/tests/test_data/5fyp_0cyc.mtz deleted file mode 100644 index 883157e..0000000 Binary files a/tests/test_data/5fyp_0cyc.mtz and /dev/null differ diff --git a/tests/test_data/5fyp_0cyc.pdb b/tests/test_data/5fyp_0cyc.pdb deleted file mode 100644 index 44f6f74..0000000 --- a/tests/test_data/5fyp_0cyc.pdb +++ /dev/null @@ -1,9311 +0,0 @@ -HEADER ---- 10-APR-19 xxxx -TITLE --- -COMPND --- -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 5.8.0238 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, -REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.17 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 67.70 -REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE -REMARK 3 COMPLETENESS FOR RANGE (%) : 99.94 -REMARK 3 NUMBER OF REFLECTIONS : 328549 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING + TEST SET) : 0.24415 -REMARK 3 R VALUE (WORKING SET) : 0.24335 -REMARK 3 FREE R VALUE : 0.25893 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 -REMARK 3 FREE R VALUE TEST SET COUNT : 17411 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 20 -REMARK 3 BIN RESOLUTION RANGE HIGH : 1.170 -REMARK 3 BIN RESOLUTION RANGE LOW : 1.200 -REMARK 3 REFLECTION IN BIN (WORKING SET) : 24130 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.79 -REMARK 3 BIN R VALUE (WORKING SET) : 0.256 -REMARK 3 BIN FREE R VALUE SET COUNT : 1241 -REMARK 3 BIN FREE R VALUE : 0.276 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 ALL ATOMS : 9184 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 10.124 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 0.02 -REMARK 3 B22 (A**2) : 0.02 -REMARK 3 B33 (A**2) : -0.04 -REMARK 3 B12 (A**2) : -0.00 -REMARK 3 B13 (A**2) : -0.00 -REMARK 3 B23 (A**2) : -0.00 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): 0.051 -REMARK 3 ESU BASED ON FREE R VALUE (A): 0.052 -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.035 -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.716 -REMARK 3 -REMARK 3 CORRELATION COEFFICIENTS. -REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.925 -REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.925 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT -REMARK 3 BOND LENGTHS REFINED ATOMS (A): 9426 ; 0.013 ; 0.013 -REMARK 3 BOND LENGTHS OTHERS (A): 8123 ; 0.001 ; 0.017 -REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 12774 ; 1.805 ; 1.630 -REMARK 3 BOND ANGLES OTHERS (DEGREES): 18962 ; 1.630 ; 1.582 -REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 1187 ; 7.196 ; 5.000 -REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 491 ;33.451 ;24.094 -REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 1468 ;12.485 ;15.000 -REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 32 ;13.625 ;15.000 -REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 1176 ; 0.089 ; 0.200 -REMARK 3 GENERAL PLANES REFINED ATOMS (A): 10831 ; 0.011 ; 0.020 -REMARK 3 GENERAL PLANES OTHERS (A): 1989 ; 0.001 ; 0.020 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 4771 ; 1.114 ; 1.004 -REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 4770 ; 1.112 ; 1.004 -REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 5951 ; 1.740 ; 1.505 -REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 5952 ; 1.741 ; 1.505 -REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 4652 ; 1.882 ; 1.163 -REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 4653 ; 1.882 ; 1.163 -REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 6824 ; 2.639 ; 1.679 -REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 10489 ; 3.520 ;11.959 -REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 10490 ; 3.520 ;11.959 -REMARK 3 -REMARK 3 NCS RESTRAINTS STATISTICS -REMARK 3 NUMBER OF NCS GROUPS : NULL -REMARK 3 -REMARK 3 TWIN DETAILS -REMARK 3 NUMBER OF TWIN DOMAINS : NULL -REMARK 3 -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : NULL -REMARK 3 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : MASK -REMARK 3 PARAMETERS FOR MASK CALCULATION -REMARK 3 VDW PROBE RADIUS : 1.20 -REMARK 3 ION PROBE RADIUS : 0.80 -REMARK 3 SHRINKAGE RADIUS : 0.80 -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: -REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS -REMARK 3 U VALUES : REFINED INDIVIDUALLY -REMARK 3 -LINKR GLY A 86 ASP A 88 gap -LINKR THR B 85 ASP B 87 gap -LINKR ASN C 92 GLY C 94 gap -LINKR GLY D 88 THR D 90 gap -SSBOND 1 CYS A 25 CYS A 28 -SSBOND 2 CYS A 84 CYS A 97 -SSBOND 3 CYS B 25 CYS B 28 -SSBOND 4 CYS B 84 CYS B 97 -SSBOND 5 CYS C 25 CYS C 28 -SSBOND 6 CYS C 84 CYS C 97 -SSBOND 7 CYS D 25 CYS D 28 -SSBOND 8 CYS D 84 CYS D 97 -CRYST1 135.210 135.210 112.470 90.00 90.00 90.00 P 43 21 2 -SCALE1 0.007396 0.000000 0.000000 0.00000 -SCALE2 -0.000000 0.007396 0.000000 0.00000 -SCALE3 0.000000 -0.000000 0.008891 0.00000 -ATOM 1 N ALA A 1 60.673-104.651 26.644 1.00 28.37 N -ATOM 2 CA ALA A 1 61.058-103.228 26.834 1.00 27.83 C -ATOM 3 CB ALA A 1 61.564-102.632 25.537 1.00 28.99 C -ATOM 4 C ALA A 1 59.831-102.497 27.386 1.00 26.46 C -ATOM 5 O ALA A 1 59.911-102.007 28.546 1.00 23.22 O -ATOM 6 N GLN A 2 58.712-102.538 26.645 1.00 24.08 N -ATOM 7 CA GLN A 2 57.423-101.959 27.111 1.00 22.00 C -ATOM 8 CB GLN A 2 56.241-102.292 26.191 1.00 24.26 C -ATOM 9 CG GLN A 2 56.354-101.759 24.764 1.00 25.01 C -ATOM 10 CD GLN A 2 55.397-102.455 23.824 1.00 27.61 C -ATOM 11 OE1 GLN A 2 54.550-103.240 24.236 1.00 31.82 O -ATOM 12 NE2 GLN A 2 55.498-102.158 22.542 1.00 28.87 N -ATOM 13 C GLN A 2 57.123-102.516 28.508 1.00 20.40 C -ATOM 14 O GLN A 2 57.224-103.765 28.719 1.00 22.21 O -ATOM 15 N GLU A 3 56.712-101.659 29.443 1.00 16.87 N -ATOM 16 CA GLU A 3 56.201-102.091 30.779 1.00 15.68 C -ATOM 17 CB GLU A 3 55.997-100.856 31.660 1.00 14.62 C -ATOM 18 CG GLU A 3 54.838 -99.994 31.195 1.00 12.65 C -ATOM 19 CD GLU A 3 54.329 -99.002 32.213 1.00 11.67 C -ATOM 20 OE1 GLU A 3 54.515 -99.230 33.423 1.00 12.49 O -ATOM 21 OE2 GLU A 3 53.802 -98.040 31.791 1.00 12.83 O -ATOM 22 C GLU A 3 54.899-102.898 30.586 1.00 17.33 C -ATOM 23 O GLU A 3 54.285-102.798 29.516 1.00 17.07 O -ATOM 24 N SER A 4 54.433-103.644 31.597 1.00 18.06 N -ATOM 25 CA SER A 4 53.252-104.524 31.444 1.00 18.99 C -ATOM 26 CB SER A 4 53.701-105.899 30.980 1.00 20.61 C -ATOM 27 OG SER A 4 54.589-106.468 31.927 1.00 23.50 O -ATOM 28 C SER A 4 52.381-104.613 32.695 1.00 17.75 C -ATOM 29 O SER A 4 51.958-105.703 33.052 1.00 22.24 O -ATOM 30 N PRO A 5 51.975-103.504 33.360 1.00 15.83 N -ATOM 31 CA PRO A 5 50.952-103.618 34.409 1.00 13.35 C -ATOM 32 CB PRO A 5 50.869-102.184 34.958 1.00 14.25 C -ATOM 33 CG PRO A 5 51.352-101.302 33.803 1.00 15.19 C -ATOM 34 CD PRO A 5 52.330-102.124 33.003 1.00 15.43 C -ATOM 35 C PRO A 5 49.629-104.060 33.775 1.00 13.31 C -ATOM 36 O PRO A 5 49.333-103.664 32.635 1.00 14.69 O -ATOM 37 N ALA A 6 48.839-104.829 34.523 1.00 12.61 N -ATOM 38 CA ALA A 6 47.616-105.449 33.989 1.00 12.99 C -ATOM 39 CB ALA A 6 47.016-106.309 35.050 1.00 13.03 C -ATOM 40 C ALA A 6 46.632-104.363 33.573 1.00 10.23 C -ATOM 41 O ALA A 6 45.747-104.657 32.774 1.00 13.01 O -ATOM 42 N PHE A 7 46.735-103.136 34.136 1.00 11.41 N -ATOM 43 CA PHE A 7 45.721-102.072 33.870 1.00 10.12 C -ATOM 44 CB PHE A 7 45.734-100.948 34.904 1.00 10.64 C -ATOM 45 CG PHE A 7 46.896 -99.979 34.924 1.00 11.08 C -ATOM 46 CD1 PHE A 7 46.953 -98.899 34.054 1.00 11.53 C -ATOM 47 CE1 PHE A 7 47.989 -97.982 34.100 1.00 12.69 C -ATOM 48 CZ PHE A 7 48.993 -98.107 35.000 1.00 13.54 C -ATOM 49 CD2 PHE A 7 47.922-100.080 35.847 1.00 12.93 C -ATOM 50 CE2 PHE A 7 48.968 -99.170 35.870 1.00 13.15 C -ATOM 51 C PHE A 7 45.896-101.476 32.470 1.00 9.26 C -ATOM 52 O PHE A 7 44.999-100.796 32.023 1.00 10.56 O -ATOM 53 N ILE A 8 46.984-101.818 31.783 1.00 9.87 N -ATOM 54 CA ILE A 8 47.203-101.366 30.376 1.00 9.86 C -ATOM 55 CB ILE A 8 48.630-100.862 30.136 1.00 10.40 C -ATOM 56 CG1 ILE A 8 48.952 -99.732 31.108 1.00 11.67 C -ATOM 57 CG2 ILE A 8 48.783-100.457 28.677 1.00 11.16 C -ATOM 58 CD1 ILE A 8 50.355 -99.219 30.986 1.00 11.69 C -ATOM 59 C ILE A 8 46.806-102.496 29.425 1.00 9.53 C -ATOM 60 O ILE A 8 47.484-103.579 29.387 1.00 10.65 O -ATOM 61 N ASP A 9 45.818-102.267 28.603 1.00 10.03 N -ATOM 62 CA ASP A 9 45.506-103.222 27.515 1.00 10.89 C -ATOM 63 CB ASP A 9 44.230-102.785 26.821 1.00 12.37 C -ATOM 64 CG ASP A 9 43.780-103.677 25.689 1.00 12.41 C -ATOM 65 OD1 ASP A 9 44.629-104.460 25.194 1.00 12.51 O -ATOM 66 OD2 ASP A 9 42.638-103.513 25.281 1.00 13.99 O -ATOM 67 C ASP A 9 46.688-103.243 26.566 1.00 11.39 C -ATOM 68 O ASP A 9 47.016-102.193 26.009 1.00 11.54 O -ATOM 69 N PRO A 10 47.347-104.402 26.317 1.00 12.90 N -ATOM 70 CA PRO A 10 48.509-104.426 25.427 1.00 12.05 C -ATOM 71 CB PRO A 10 48.848-105.926 25.338 1.00 13.58 C -ATOM 72 CG PRO A 10 48.320-106.509 26.604 1.00 15.07 C -ATOM 73 CD PRO A 10 47.064-105.724 26.912 1.00 13.94 C -ATOM 74 C PRO A 10 48.222-103.849 24.035 1.00 10.47 C -ATOM 75 O PRO A 10 49.181-103.406 23.421 1.00 11.60 O -ATOM 76 N ALA A 11 46.984-103.926 23.559 1.00 11.30 N -ATOM 77 CA ALA A 11 46.594-103.362 22.247 1.00 12.07 C -ATOM 78 CB ALA A 11 45.134-103.601 21.980 1.00 12.42 C -ATOM 79 C ALA A 11 46.950-101.860 22.205 1.00 11.30 C -ATOM 80 O ALA A 11 47.171-101.309 21.096 1.00 10.77 O -ATOM 81 N SER A 12 47.036-101.179 23.363 1.00 10.46 N -ATOM 82 CA SER A 12 47.327 -99.736 23.456 1.00 10.28 C -ATOM 83 CB SER A 12 47.389 -99.279 24.884 1.00 10.43 C -ATOM 84 OG SER A 12 46.195 -99.535 25.574 1.00 10.38 O -ATOM 85 C SER A 12 48.657 -99.459 22.774 1.00 9.98 C -ATOM 86 O SER A 12 48.810 -98.355 22.207 1.00 10.55 O -ATOM 87 N TRP A 13 49.639-100.334 22.864 1.00 10.00 N -ATOM 88 CA TRP A 13 51.028 -99.978 22.481 1.00 10.15 C -ATOM 89 CB TRP A 13 51.991-101.105 22.831 1.00 11.08 C -ATOM 90 CG TRP A 13 52.161-101.219 24.310 1.00 11.97 C -ATOM 91 CD1 TRP A 13 51.670-102.185 25.135 1.00 12.01 C -ATOM 92 NE1 TRP A 13 52.079-101.946 26.417 1.00 12.67 N -ATOM 93 CE2 TRP A 13 52.813-100.794 26.467 1.00 12.55 C -ATOM 94 CD2 TRP A 13 52.866-100.294 25.147 1.00 11.88 C -ATOM 95 CE3 TRP A 13 53.570 -99.110 24.904 1.00 11.69 C -ATOM 96 CZ3 TRP A 13 54.184 -98.471 25.955 1.00 12.69 C -ATOM 97 CH2 TRP A 13 54.112 -98.976 27.250 1.00 13.47 C -ATOM 98 CZ2 TRP A 13 53.393-100.117 27.540 1.00 12.62 C -ATOM 99 C TRP A 13 51.096 -99.639 21.007 1.00 9.68 C -ATOM 100 O TRP A 13 51.883 -98.769 20.652 1.00 11.26 O -ATOM 101 N ASN A 14 50.340-100.332 20.158 1.00 8.41 N -ATOM 102 CA ASN A 14 50.373-100.123 18.704 1.00 9.11 C -ATOM 103 CB ASN A 14 49.929-101.413 17.996 1.00 10.45 C -ATOM 104 CG ASN A 14 50.831-102.590 18.299 1.00 11.54 C -ATOM 105 OD1 ASN A 14 50.360-103.698 18.633 1.00 15.91 O -ATOM 106 ND2 ASN A 14 52.119-102.320 18.173 1.00 11.97 N -ATOM 107 C ASN A 14 49.392 -99.040 18.277 1.00 8.22 C -ATOM 108 O ASN A 14 49.267 -98.817 17.081 1.00 9.91 O -ATOM 109 N THR A 15 48.682 -98.430 19.226 1.00 8.97 N -ATOM 110 CA THR A 15 47.589 -97.484 18.924 1.00 8.26 C -ATOM 111 CB THR A 15 46.442 -97.680 19.909 1.00 8.37 C -ATOM 112 OG1 THR A 15 46.042 -99.041 19.854 1.00 9.31 O -ATOM 113 CG2 THR A 15 45.224 -96.850 19.612 1.00 9.31 C -ATOM 114 C THR A 15 48.150 -96.062 18.966 1.00 7.70 C -ATOM 115 O THR A 15 48.856 -95.705 19.913 1.00 7.96 O -ATOM 116 N PRO A 16 47.838 -95.190 17.988 1.00 7.41 N -ATOM 117 CA PRO A 16 48.101 -93.751 18.112 1.00 7.40 C -ATOM 118 CB PRO A 16 47.299 -93.135 16.953 1.00 7.85 C -ATOM 119 CG PRO A 16 47.361 -94.235 15.926 1.00 8.52 C -ATOM 120 CD PRO A 16 47.113 -95.480 16.744 1.00 8.04 C -ATOM 121 C PRO A 16 47.604 -93.209 19.460 1.00 7.61 C -ATOM 122 O PRO A 16 46.528 -93.593 19.905 1.00 7.07 O -ATOM 123 N PHE A 17 48.351 -92.293 20.055 1.00 6.86 N -ATOM 124 CA PHE A 17 47.996 -91.791 21.400 1.00 7.14 C -ATOM 125 CB PHE A 17 49.026 -90.749 21.836 1.00 7.13 C -ATOM 126 CG PHE A 17 48.863 -90.295 23.265 1.00 7.79 C -ATOM 127 CD1 PHE A 17 49.216 -91.125 24.317 1.00 7.08 C -ATOM 128 CE1 PHE A 17 49.075 -90.700 25.623 1.00 8.17 C -ATOM 129 CZ PHE A 17 48.615 -89.429 25.890 1.00 8.09 C -ATOM 130 CD2 PHE A 17 48.387 -89.020 23.550 1.00 7.58 C -ATOM 131 CE2 PHE A 17 48.260 -88.598 24.869 1.00 8.48 C -ATOM 132 C PHE A 17 46.576 -91.225 21.434 1.00 6.96 C -ATOM 133 O PHE A 17 45.842 -91.408 22.430 1.00 7.07 O -ATOM 134 N ASN A 18 46.145 -90.564 20.363 1.00 6.59 N -ATOM 135 CA ASN A 18 44.780 -90.006 20.258 1.00 7.04 C -ATOM 136 CB ASN A 18 44.691 -89.034 19.076 1.00 7.27 C -ATOM 137 CG ASN A 18 45.047 -89.681 17.729 1.00 7.47 C -ATOM 138 OD1 ASN A 18 46.187 -90.149 17.529 1.00 8.15 O -ATOM 139 ND2 ASN A 18 44.109 -89.700 16.809 1.00 8.77 N -ATOM 140 C ASN A 18 43.693 -91.066 20.164 1.00 7.21 C -ATOM 141 O ASN A 18 42.538 -90.722 20.379 1.00 7.76 O -ATOM 142 N GLY A 19 44.062 -92.312 19.864 1.00 7.35 N -ATOM 143 CA GLY A 19 43.148 -93.471 19.822 1.00 7.61 C -ATOM 144 C GLY A 19 43.050 -94.205 21.138 1.00 6.65 C -ATOM 145 O GLY A 19 42.436 -95.298 21.135 1.00 7.46 O -ATOM 146 N ILE A 20 43.682 -93.719 22.196 1.00 6.86 N -ATOM 147 CA ILE A 20 43.739 -94.429 23.495 1.00 6.96 C -ATOM 148 CB ILE A 20 45.184 -94.564 23.969 1.00 7.33 C -ATOM 149 CG1 ILE A 20 46.012 -95.346 22.953 1.00 8.22 C -ATOM 150 CG2 ILE A 20 45.226 -95.165 25.362 1.00 7.93 C -ATOM 151 CD1 ILE A 20 47.477 -95.379 23.270 1.00 7.83 C -ATOM 152 C ILE A 20 42.868 -93.694 24.506 1.00 6.71 C -ATOM 153 O ILE A 20 43.004 -92.441 24.691 1.00 6.80 O -ATOM 154 N ALA A 21 42.037 -94.431 25.213 1.00 6.95 N -ATOM 155 CA ALA A 21 41.236 -93.965 26.367 1.00 6.75 C -ATOM 156 CB ALA A 21 39.880 -94.592 26.334 1.00 6.94 C -ATOM 157 C ALA A 21 41.953 -94.309 27.648 1.00 6.81 C -ATOM 158 O ALA A 21 42.500 -95.422 27.820 1.00 7.55 O -ATOM 159 N GLN A 22 41.897 -93.383 28.596 1.00 6.92 N -ATOM 160 CA GLN A 22 42.564 -93.548 29.892 1.00 7.32 C -ATOM 161 CB GLN A 22 43.818 -92.686 30.002 1.00 7.20 C -ATOM 162 CG GLN A 22 44.800 -92.930 28.881 1.00 7.51 C -ATOM 163 CD GLN A 22 46.103 -92.220 29.180 1.00 7.85 C -ATOM 164 OE1 GLN A 22 46.621 -92.210 30.317 1.00 9.26 O -ATOM 165 NE2 GLN A 22 46.668 -91.554 28.181 1.00 7.88 N -ATOM 166 C GLN A 22 41.693 -93.052 31.030 1.00 7.10 C -ATOM 167 O GLN A 22 40.967 -92.049 30.895 1.00 7.66 O -ATOM 168 N VAL A 23 41.796 -93.753 32.152 1.00 7.38 N -ATOM 169 CA VAL A 23 41.429 -93.199 33.476 1.00 7.40 C -ATOM 170 CB VAL A 23 41.196 -94.330 34.483 1.00 7.63 C -ATOM 171 CG1 VAL A 23 40.840 -93.803 35.845 1.00 8.02 C -ATOM 172 CG2 VAL A 23 40.151 -95.308 34.006 1.00 8.62 C -ATOM 173 C VAL A 23 42.554 -92.290 33.909 1.00 6.90 C -ATOM 174 O VAL A 23 43.725 -92.702 33.907 1.00 7.36 O -ATOM 175 N ALA A 24 42.203 -91.050 34.218 1.00 6.73 N -ATOM 176 CA ALA A 24 43.169 -90.073 34.758 1.00 6.89 C -ATOM 177 CB ALA A 24 43.112 -88.839 33.880 1.00 7.40 C -ATOM 178 C ALA A 24 42.763 -89.736 36.189 1.00 6.98 C -ATOM 179 O ALA A 24 41.631 -89.959 36.607 1.00 7.77 O -ATOM 180 N CYS A 25 43.717 -89.216 36.921 1.00 7.60 N -ATOM 181 CA CYS A 25 43.348 -88.708 38.267 1.00 8.34 C -ATOM 182 CB CYS A 25 44.558 -88.596 39.170 1.00 9.58 C -ATOM 183 SG CYS A 25 45.446 -87.029 39.099 1.00 10.38 S -ATOM 184 C CYS A 25 42.644 -87.366 38.170 1.00 8.58 C -ATOM 185 O CYS A 25 42.734 -86.729 37.105 1.00 11.24 O -ATOM 186 N HIS A 26 42.028 -86.931 39.249 1.00 7.72 N -ATOM 187 CA HIS A 26 41.599 -85.531 39.388 1.00 7.63 C -ATOM 188 CB HIS A 26 40.089 -85.491 39.384 1.00 7.88 C -ATOM 189 CG HIS A 26 39.544 -84.103 39.317 1.00 9.17 C -ATOM 190 ND1 HIS A 26 38.213 -83.867 39.180 1.00 9.78 N -ATOM 191 CE1 HIS A 26 38.006 -82.546 39.151 1.00 10.61 C -ATOM 192 NE2 HIS A 26 39.165 -81.931 39.221 1.00 12.33 N -ATOM 193 CD2 HIS A 26 40.147 -82.890 39.293 1.00 10.30 C -ATOM 194 C HIS A 26 42.252 -85.008 40.651 1.00 7.05 C -ATOM 195 O HIS A 26 41.871 -85.443 41.768 1.00 7.67 O -ATOM 196 N ASN A 27 43.170 -84.050 40.525 1.00 6.87 N -ATOM 197 CA ASN A 27 43.756 -83.368 41.708 1.00 7.78 C -ATOM 198 CB ASN A 27 42.712 -82.498 42.436 1.00 7.88 C -ATOM 199 CG ASN A 27 42.320 -81.270 41.603 1.00 8.98 C -ATOM 200 OD1 ASN A 27 42.970 -80.854 40.659 1.00 8.50 O -ATOM 201 ND2 ASN A 27 41.164 -80.712 41.913 1.00 12.86 N -ATOM 202 C ASN A 27 44.475 -84.361 42.622 1.00 7.53 C -ATOM 203 O ASN A 27 44.430 -84.228 43.832 1.00 8.20 O -ATOM 204 N CYS A 28 45.187 -85.325 42.048 1.00 7.85 N -ATOM 205 CA CYS A 28 45.769 -86.418 42.882 1.00 8.16 C -ATOM 206 CB CYS A 28 46.033 -87.675 42.080 1.00 9.15 C -ATOM 207 SG CYS A 28 47.007 -87.444 40.584 1.00 10.95 S -ATOM 208 C CYS A 28 47.037 -85.983 43.596 1.00 8.69 C -ATOM 209 O CYS A 28 47.615 -86.834 44.303 1.00 9.32 O -ATOM 210 N TYR A 29 47.417 -84.721 43.514 1.00 7.91 N -ATOM 211 CA TYR A 29 48.445 -84.131 44.418 1.00 8.05 C -ATOM 212 CB TYR A 29 48.947 -82.797 43.874 1.00 8.36 C -ATOM 213 CG TYR A 29 47.874 -81.742 43.933 1.00 8.59 C -ATOM 214 CD1 TYR A 29 47.711 -80.964 45.069 1.00 8.15 C -ATOM 215 CE1 TYR A 29 46.663 -80.069 45.175 1.00 8.04 C -ATOM 216 CZ TYR A 29 45.793 -79.898 44.117 1.00 8.31 C -ATOM 217 OH TYR A 29 44.759 -79.004 44.233 1.00 9.08 O -ATOM 218 CE2 TYR A 29 45.980 -80.635 42.960 1.00 8.36 C -ATOM 219 CD2 TYR A 29 47.003 -81.546 42.867 1.00 7.62 C -ATOM 220 C TYR A 29 47.864 -83.932 45.833 1.00 7.91 C -ATOM 221 O TYR A 29 48.639 -83.669 46.757 1.00 8.27 O -ATOM 222 N GLU A 30 46.568 -83.980 46.015 1.00 8.19 N -ATOM 223 CA GLU A 30 45.949 -83.814 47.350 1.00 8.89 C -ATOM 224 CB GLU A 30 44.491 -83.414 47.242 1.00 9.33 C -ATOM 225 CG GLU A 30 44.286 -82.083 46.566 1.00 10.34 C -ATOM 226 CD GLU A 30 42.837 -81.655 46.688 1.00 11.04 C -ATOM 227 OE1 GLU A 30 42.369 -81.520 47.863 1.00 12.83 O -ATOM 228 OE2 GLU A 30 42.155 -81.422 45.673 1.00 11.69 O -ATOM 229 C GLU A 30 46.088 -85.094 48.163 1.00 9.66 C -ATOM 230 O GLU A 30 45.825 -86.182 47.684 1.00 9.72 O -ATOM 231 N LYS A 31 46.423 -84.939 49.445 1.00 11.11 N -ATOM 232 CA LYS A 31 46.599 -86.071 50.390 1.00 11.89 C -ATOM 233 CB LYS A 31 47.064 -85.577 51.761 1.00 13.74 C -ATOM 234 CG LYS A 31 48.392 -84.847 51.744 1.00 15.96 C -ATOM 235 CD LYS A 31 48.682 -84.157 53.037 1.00 18.32 C -ATOM 236 CE LYS A 31 50.160 -83.921 53.213 1.00 19.31 C -ATOM 237 NZ LYS A 31 50.414 -83.034 54.376 1.00 22.14 N -ATOM 238 C LYS A 31 45.304 -86.867 50.474 1.00 11.76 C -ATOM 239 O LYS A 31 45.394 -88.063 50.709 1.00 13.59 O -ATOM 240 N GLN A 32 44.140 -86.245 50.340 1.00 10.77 N -ATOM 241 CA GLN A 32 42.865 -87.006 50.462 1.00 11.38 C -ATOM 242 CB GLN A 32 41.631 -86.106 50.519 1.00 11.26 C -ATOM 243 CG GLN A 32 41.452 -85.190 49.293 1.00 10.91 C -ATOM 244 CD GLN A 32 40.121 -84.454 49.355 1.00 11.98 C -ATOM 245 OE1 GLN A 32 39.075 -84.981 49.733 1.00 15.55 O -ATOM 246 NE2 GLN A 32 40.108 -83.218 48.901 1.00 12.53 N -ATOM 247 C GLN A 32 42.674 -88.015 49.314 1.00 11.11 C -ATOM 248 O GLN A 32 41.767 -88.891 49.420 1.00 12.40 O -ATOM 249 N TYR A 33 43.432 -87.900 48.207 1.00 10.99 N -ATOM 250 CA TYR A 33 43.239 -88.806 47.038 1.00 10.66 C -ATOM 251 CB TYR A 33 43.022 -88.059 45.720 1.00 10.42 C -ATOM 252 CG TYR A 33 41.860 -87.095 45.801 1.00 9.75 C -ATOM 253 CD1 TYR A 33 40.614 -87.479 46.270 1.00 10.34 C -ATOM 254 CE1 TYR A 33 39.565 -86.570 46.339 1.00 11.58 C -ATOM 255 CZ TYR A 33 39.761 -85.237 46.009 1.00 10.81 C -ATOM 256 OH TYR A 33 38.742 -84.315 46.135 1.00 11.83 O -ATOM 257 CE2 TYR A 33 41.001 -84.827 45.574 1.00 11.54 C -ATOM 258 CD2 TYR A 33 42.034 -85.739 45.488 1.00 10.49 C -ATOM 259 C TYR A 33 44.383 -89.806 46.869 1.00 10.83 C -ATOM 260 O TYR A 33 44.160 -90.819 46.160 1.00 12.32 O -ATOM 261 N ALA A 34 45.528 -89.570 47.469 1.00 10.19 N -ATOM 262 CA ALA A 34 46.653 -90.517 47.400 1.00 11.15 C -ATOM 263 CB ALA A 34 47.283 -90.454 46.048 1.00 10.13 C -ATOM 264 C ALA A 34 47.640 -90.197 48.495 1.00 10.94 C -ATOM 265 O ALA A 34 47.784 -89.053 48.881 1.00 11.23 O -ATOM 266 N ASN A 35 48.275 -91.253 49.000 1.00 11.63 N -ATOM 267 CA ASN A 35 49.195 -91.145 50.147 1.00 14.21 C -ATOM 268 CB ASN A 35 49.376 -92.532 50.792 1.00 13.76 C -ATOM 269 CG ASN A 35 48.101 -93.151 51.359 1.00 14.91 C -ATOM 270 OD1 ASN A 35 47.113 -92.464 51.629 1.00 16.39 O -ATOM 271 ND2 ASN A 35 48.072 -94.475 51.499 1.00 17.10 N -ATOM 272 C ASN A 35 50.492 -90.456 49.699 1.00 13.73 C -ATOM 273 O ASN A 35 51.063 -89.690 50.465 1.00 15.62 O -ATOM 274 N THR A 36 50.967 -90.687 48.463 1.00 12.13 N -ATOM 275 CA THR A 36 52.089 -89.962 47.832 1.00 12.17 C -ATOM 276 CB THR A 36 53.420 -90.716 47.894 1.00 12.11 C -ATOM 277 OG1 THR A 36 53.284 -91.812 46.988 1.00 11.91 O -ATOM 278 CG2 THR A 36 53.779 -91.181 49.291 1.00 13.84 C -ATOM 279 C THR A 36 51.710 -89.676 46.375 1.00 11.40 C -ATOM 280 O THR A 36 50.950 -90.449 45.784 1.00 10.62 O -ATOM 281 N PHE A 37 52.316 -88.664 45.794 1.00 11.23 N -ATOM 282 CA PHE A 37 52.099 -88.359 44.360 1.00 9.38 C -ATOM 283 CB PHE A 37 52.782 -87.047 43.994 1.00 9.31 C -ATOM 284 CG PHE A 37 52.313 -86.463 42.686 1.00 9.70 C -ATOM 285 CD1 PHE A 37 50.977 -86.227 42.426 1.00 9.58 C -ATOM 286 CE1 PHE A 37 50.580 -85.640 41.228 1.00 9.98 C -ATOM 287 CZ PHE A 37 51.506 -85.312 40.273 1.00 10.48 C -ATOM 288 CD2 PHE A 37 53.220 -86.123 41.715 1.00 9.53 C -ATOM 289 CE2 PHE A 37 52.823 -85.560 40.507 1.00 9.73 C -ATOM 290 C PHE A 37 52.580 -89.531 43.509 1.00 10.65 C -ATOM 291 O PHE A 37 51.889 -89.988 42.581 1.00 10.25 O -ATOM 292 N SER A 38 53.745 -90.048 43.862 1.00 9.85 N -ATOM 293 CA SER A 38 54.376 -91.191 43.155 1.00 11.60 C -ATOM 294 CB SER A 38 55.680 -91.548 43.775 1.00 14.41 C -ATOM 295 OG SER A 38 56.632 -90.522 43.579 1.00 17.59 O -ATOM 296 C SER A 38 53.427 -92.394 43.114 1.00 11.18 C -ATOM 297 O SER A 38 53.308 -93.089 42.068 1.00 11.48 O -ATOM 298 N SER A 39 52.717 -92.664 44.194 1.00 11.33 N -ATOM 299 CA SER A 39 51.880 -93.879 44.296 1.00 12.37 C -ATOM 300 CB SER A 39 51.347 -94.021 45.705 1.00 13.31 C -ATOM 301 OG SER A 39 50.314 -93.109 45.965 1.00 16.80 O -ATOM 302 C SER A 39 50.788 -93.875 43.238 1.00 11.51 C -ATOM 303 O SER A 39 50.318 -94.966 42.924 1.00 11.60 O -ATOM 304 N VAL A 40 50.390 -92.715 42.734 1.00 10.18 N -ATOM 305 CA VAL A 40 49.320 -92.624 41.705 1.00 9.77 C -ATOM 306 CB VAL A 40 49.043 -91.153 41.366 1.00 9.05 C -ATOM 307 CG1 VAL A 40 48.053 -91.046 40.225 1.00 9.54 C -ATOM 308 CG2 VAL A 40 48.566 -90.395 42.597 1.00 9.52 C -ATOM 309 C VAL A 40 49.720 -93.464 40.492 1.00 8.98 C -ATOM 310 O VAL A 40 48.852 -94.017 39.823 1.00 9.50 O -ATOM 311 N LEU A 41 51.001 -93.448 40.187 1.00 9.06 N -ATOM 312 CA LEU A 41 51.557 -94.181 39.020 1.00 10.45 C -ATOM 313 CB LEU A 41 52.965 -93.673 38.735 1.00 10.60 C -ATOM 314 CG LEU A 41 52.956 -92.251 38.172 1.00 10.85 C -ATOM 315 CD1 LEU A 41 54.282 -91.567 38.349 1.00 11.88 C -ATOM 316 CD2 LEU A 41 52.616 -92.253 36.697 1.00 10.76 C -ATOM 317 C LEU A 41 51.489 -95.692 39.256 1.00 10.99 C -ATOM 318 O LEU A 41 51.763 -96.435 38.273 1.00 11.90 O -ATOM 319 N ASP A 42 51.048 -96.183 40.414 1.00 11.25 N -ATOM 320 CA ASP A 42 50.697 -97.634 40.557 1.00 12.19 C -ATOM 321 CB ASP A 42 50.652 -98.020 42.043 1.00 13.40 C -ATOM 322 CG ASP A 42 51.977 -97.868 42.792 1.00 14.32 C -ATOM 323 OD1 ASP A 42 53.020 -97.729 42.168 1.00 16.09 O -ATOM 324 OD2 ASP A 42 51.945 -97.954 44.013 1.00 17.30 O -ATOM 325 C ASP A 42 49.380 -97.940 39.817 1.00 11.75 C -ATOM 326 O ASP A 42 49.095 -99.139 39.533 1.00 12.60 O -ATOM 327 N SER A 43 48.566 -96.921 39.496 1.00 10.30 N -ATOM 328 CA SER A 43 47.211 -97.152 38.946 1.00 9.60 C -ATOM 329 CB SER A 43 46.159 -96.686 39.921 1.00 10.51 C -ATOM 330 OG SER A 43 46.291 -97.307 41.205 1.00 13.65 O -ATOM 331 C SER A 43 46.973 -96.502 37.577 1.00 8.93 C -ATOM 332 O SER A 43 46.125 -96.996 36.871 1.00 9.24 O -ATOM 333 N VAL A 44 47.571 -95.346 37.296 1.00 9.27 N -ATOM 334 CA VAL A 44 47.239 -94.574 36.058 1.00 8.85 C -ATOM 335 CB VAL A 44 46.184 -93.479 36.331 1.00 8.96 C -ATOM 336 CG1 VAL A 44 44.845 -94.066 36.712 1.00 9.71 C -ATOM 337 CG2 VAL A 44 46.642 -92.456 37.364 1.00 9.45 C -ATOM 338 C VAL A 44 48.529 -93.968 35.510 1.00 8.11 C -ATOM 339 O VAL A 44 49.554 -93.954 36.185 1.00 8.19 O -ATOM 340 N ARG A 45 48.394 -93.364 34.341 1.00 8.49 N -ATOM 341 CA ARG A 45 49.505 -92.695 33.640 1.00 7.64 C -ATOM 342 CB ARG A 45 49.783 -93.425 32.321 1.00 8.02 C -ATOM 343 C ARG A 45 49.185 -91.234 33.353 1.00 7.33 C -ATOM 344 O ARG A 45 49.970 -90.582 32.683 1.00 8.58 O -ATOM 345 N THR A 46 48.120 -90.679 33.934 1.00 7.99 N -ATOM 346 CA THR A 46 47.743 -89.256 33.731 1.00 8.12 C -ATOM 347 CB THR A 46 46.590 -89.121 32.744 1.00 8.13 C -ATOM 348 OG1 THR A 46 47.004 -89.588 31.455 1.00 8.47 O -ATOM 349 CG2 THR A 46 46.102 -87.691 32.578 1.00 7.89 C -ATOM 350 C THR A 46 47.435 -88.677 35.108 1.00 7.94 C -ATOM 351 O THR A 46 46.532 -89.153 35.796 1.00 8.08 O -ATOM 352 N LEU A 47 48.226 -87.657 35.461 1.00 7.54 N -ATOM 353 CA LEU A 47 48.259 -87.036 36.807 1.00 8.37 C -ATOM 354 CB LEU A 47 49.613 -87.223 37.505 1.00 10.33 C -ATOM 355 CG LEU A 47 49.964 -88.613 38.042 1.00 13.52 C -ATOM 356 CD1 LEU A 47 49.798 -89.743 37.045 1.00 15.87 C -ATOM 357 CD2 LEU A 47 51.371 -88.575 38.612 1.00 13.43 C -ATOM 358 C LEU A 47 47.913 -85.536 36.672 1.00 8.29 C -ATOM 359 O LEU A 47 47.622 -85.029 35.566 1.00 9.44 O -ATOM 360 N GLU A 48 47.790 -84.866 37.805 1.00 7.51 N -ATOM 361 CA GLU A 48 47.380 -83.434 37.850 1.00 7.14 C -ATOM 362 CB GLU A 48 45.862 -83.311 37.952 1.00 7.61 C -ATOM 363 CG GLU A 48 45.357 -81.875 37.944 1.00 7.45 C -ATOM 364 CD GLU A 48 43.848 -81.761 37.809 1.00 7.69 C -ATOM 365 OE1 GLU A 48 43.131 -82.768 37.971 1.00 8.01 O -ATOM 366 OE2 GLU A 48 43.389 -80.617 37.548 1.00 8.86 O -ATOM 367 C GLU A 48 48.064 -82.708 39.012 1.00 7.31 C -ATOM 368 O GLU A 48 48.105 -83.290 40.130 1.00 7.93 O -ATOM 369 N LEU A 49 48.505 -81.477 38.728 1.00 7.06 N -ATOM 370 CA LEU A 49 49.104 -80.565 39.729 1.00 7.87 C -ATOM 371 CB LEU A 49 50.601 -80.414 39.460 1.00 8.15 C -ATOM 372 CG LEU A 49 51.375 -81.688 39.751 1.00 8.12 C -ATOM 373 CD1 LEU A 49 52.736 -81.692 39.076 1.00 9.42 C -ATOM 374 CD2 LEU A 49 51.522 -81.894 41.257 1.00 8.42 C -ATOM 375 C LEU A 49 48.444 -79.210 39.602 1.00 7.85 C -ATOM 376 O LEU A 49 48.363 -78.692 38.496 1.00 8.75 O -ATOM 377 N ASP A 50 47.990 -78.663 40.706 1.00 7.36 N -ATOM 378 CA ASP A 50 47.455 -77.291 40.775 1.00 7.90 C -ATOM 379 CB ASP A 50 46.278 -77.144 41.723 1.00 8.53 C -ATOM 380 CG ASP A 50 44.978 -77.831 41.295 1.00 8.74 C -ATOM 381 OD1 ASP A 50 44.904 -78.254 40.145 1.00 9.65 O -ATOM 382 OD2 ASP A 50 44.023 -77.875 42.094 1.00 9.37 O -ATOM 383 C ASP A 50 48.611 -76.419 41.223 1.00 7.01 C -ATOM 384 O ASP A 50 49.133 -76.648 42.316 1.00 7.52 O -ATOM 385 N PHE A 51 48.994 -75.418 40.459 1.00 6.68 N -ATOM 386 CA PHE A 51 50.216 -74.651 40.766 1.00 6.34 C -ATOM 387 CB PHE A 51 51.369 -75.024 39.854 1.00 6.77 C -ATOM 388 CG PHE A 51 51.323 -74.524 38.439 1.00 7.10 C -ATOM 389 CD2 PHE A 51 52.031 -73.400 38.080 1.00 7.49 C -ATOM 390 CE2 PHE A 51 52.013 -72.951 36.780 1.00 7.73 C -ATOM 391 CZ PHE A 51 51.301 -73.634 35.811 1.00 7.26 C -ATOM 392 CD1 PHE A 51 50.567 -75.178 37.474 1.00 6.53 C -ATOM 393 CE1 PHE A 51 50.565 -74.739 36.164 1.00 6.78 C -ATOM 394 C PHE A 51 49.931 -73.159 40.844 1.00 6.14 C -ATOM 395 O PHE A 51 49.160 -72.573 40.021 1.00 6.54 O -ATOM 396 N TRP A 52 50.604 -72.527 41.800 1.00 6.32 N -ATOM 397 CA TRP A 52 50.348 -71.132 42.235 1.00 6.91 C -ATOM 398 CB TRP A 52 49.816 -71.110 43.662 1.00 7.41 C -ATOM 399 CG TRP A 52 48.507 -71.807 43.810 1.00 7.40 C -ATOM 400 CD1 TRP A 52 48.277 -73.154 43.887 1.00 7.51 C -ATOM 401 NE1 TRP A 52 46.941 -73.405 44.027 1.00 8.25 N -ATOM 402 CE2 TRP A 52 46.281 -72.222 44.044 1.00 8.22 C -ATOM 403 CD2 TRP A 52 47.221 -71.168 43.930 1.00 7.98 C -ATOM 404 CE3 TRP A 52 46.768 -69.845 43.960 1.00 8.36 C -ATOM 405 CZ3 TRP A 52 45.411 -69.621 44.025 1.00 9.72 C -ATOM 406 CH2 TRP A 52 44.524 -70.680 44.160 1.00 10.49 C -ATOM 407 CZ2 TRP A 52 44.919 -71.980 44.142 1.00 9.82 C -ATOM 408 C TRP A 52 51.645 -70.366 42.173 1.00 6.68 C -ATOM 409 O TRP A 52 52.720 -70.900 42.495 1.00 6.87 O -ATOM 410 N ASP A 53 51.550 -69.132 41.733 1.00 6.17 N -ATOM 411 CA ASP A 53 52.723 -68.232 41.761 1.00 6.39 C -ATOM 412 CB ASP A 53 52.459 -66.981 40.925 1.00 6.48 C -ATOM 413 CG ASP A 53 52.568 -67.263 39.442 1.00 6.61 C -ATOM 414 OD1 ASP A 53 52.000 -68.286 38.966 1.00 7.22 O -ATOM 415 OD2 ASP A 53 53.301 -66.511 38.780 1.00 7.32 O -ATOM 416 C ASP A 53 53.075 -67.796 43.186 1.00 6.87 C -ATOM 417 O ASP A 53 54.265 -67.682 43.502 1.00 8.35 O -ATOM 418 N GLN A 54 52.067 -67.496 43.968 1.00 6.56 N -ATOM 419 CA GLN A 54 52.245 -66.822 45.273 1.00 7.78 C -ATOM 420 CB GLN A 54 51.177 -65.736 45.461 1.00 9.29 C -ATOM 421 CG GLN A 54 50.969 -64.742 44.349 1.00 11.88 C -ATOM 422 CD GLN A 54 52.217 -63.899 44.232 1.00 13.81 C -ATOM 423 OE1 GLN A 54 53.009 -63.694 45.162 1.00 14.77 O -ATOM 424 NE2 GLN A 54 52.429 -63.343 43.049 1.00 20.65 N -ATOM 425 C GLN A 54 52.079 -67.857 46.375 1.00 6.84 C -ATOM 426 O GLN A 54 51.417 -68.894 46.196 1.00 6.79 O -ATOM 427 N ARG A 55 52.612 -67.556 47.549 1.00 7.17 N -ATOM 428 CA ARG A 55 52.355 -68.347 48.769 1.00 6.86 C -ATOM 429 CB ARG A 55 53.253 -67.823 49.892 1.00 7.36 C -ATOM 430 CG ARG A 55 53.157 -68.678 51.150 1.00 8.72 C -ATOM 431 CD ARG A 55 54.148 -68.220 52.199 1.00 10.23 C -ATOM 432 NE ARG A 55 55.491 -68.566 51.773 1.00 12.12 N -ATOM 433 CZ ARG A 55 56.002 -69.814 51.769 1.00 13.27 C -ATOM 434 NH1 ARG A 55 55.308 -70.822 52.263 1.00 13.68 N -ATOM 435 NH2 ARG A 55 57.228 -70.044 51.340 1.00 14.90 N -ATOM 436 C ARG A 55 50.881 -68.274 49.135 1.00 6.74 C -ATOM 437 O ARG A 55 50.335 -69.275 49.621 1.00 6.91 O -ATOM 438 N ASP A 56 50.214 -67.144 48.889 1.00 7.29 N -ATOM 439 CA ASP A 56 48.773 -67.003 49.138 1.00 7.85 C -ATOM 440 CB ASP A 56 48.478 -66.285 50.456 1.00 7.78 C -ATOM 441 CG ASP A 56 49.063 -64.900 50.582 1.00 7.55 C -ATOM 442 OD1 ASP A 56 49.468 -64.330 49.582 1.00 7.44 O -ATOM 443 OD2 ASP A 56 49.118 -64.425 51.740 1.00 9.40 O -ATOM 444 C ASP A 56 48.141 -66.415 47.900 1.00 7.74 C -ATOM 445 O ASP A 56 48.617 -66.689 46.801 1.00 9.70 O -ATOM 446 N ALA A 57 47.131 -65.590 48.052 1.00 7.72 N -ATOM 447 CA ALA A 57 46.464 -64.980 46.894 1.00 9.05 C -ATOM 448 CB ALA A 57 45.118 -64.416 47.265 1.00 9.80 C -ATOM 449 C ALA A 57 47.287 -63.868 46.278 1.00 8.23 C -ATOM 450 O ALA A 57 47.044 -63.511 45.145 1.00 9.57 O -ATOM 451 N VAL A 58 48.266 -63.325 46.995 1.00 7.36 N -ATOM 452 CA VAL A 58 48.786 -61.984 46.612 1.00 7.78 C -ATOM 453 CB VAL A 58 47.898 -60.906 47.256 1.00 8.74 C -ATOM 454 CG1 VAL A 58 48.134 -60.776 48.739 1.00 8.70 C -ATOM 455 CG2 VAL A 58 48.009 -59.538 46.596 1.00 9.33 C -ATOM 456 C VAL A 58 50.253 -61.808 46.987 1.00 7.95 C -ATOM 457 O VAL A 58 50.785 -60.711 46.675 1.00 10.21 O -ATOM 458 N SER A 59 50.949 -62.752 47.589 1.00 7.01 N -ATOM 459 CA SER A 59 52.254 -62.470 48.198 1.00 6.45 C -ATOM 460 CB SER A 59 52.087 -61.863 49.554 1.00 7.44 C -ATOM 461 OG SER A 59 51.514 -62.793 50.439 1.00 7.45 O -ATOM 462 C SER A 59 53.077 -63.730 48.252 1.00 6.84 C -ATOM 463 O SER A 59 52.518 -64.858 48.366 1.00 7.30 O -ATOM 464 N GLY A 60 54.375 -63.530 48.320 1.00 7.10 N -ATOM 465 CA GLY A 60 55.284 -64.601 48.677 1.00 7.42 C -ATOM 466 C GLY A 60 55.827 -65.381 47.510 1.00 7.28 C -ATOM 467 O GLY A 60 56.513 -66.400 47.781 1.00 9.72 O -ATOM 468 N GLY A 61 55.617 -64.976 46.278 1.00 8.83 N -ATOM 469 CA GLY A 61 56.292 -65.707 45.184 1.00 8.83 C -ATOM 470 C GLY A 61 57.815 -65.515 45.158 1.00 9.55 C -ATOM 471 O GLY A 61 58.360 -64.488 45.727 1.00 12.21 O -ATOM 472 N SER A 62 58.520 -66.382 44.436 1.00 9.37 N -ATOM 473 CA SER A 62 59.959 -66.240 44.123 1.00 9.99 C -ATOM 474 CB SER A 62 60.804 -67.121 44.984 1.00 11.55 C -ATOM 475 OG SER A 62 60.297 -68.441 45.009 1.00 12.35 O -ATOM 476 C SER A 62 60.186 -66.582 42.662 1.00 8.53 C -ATOM 477 O SER A 62 59.402 -67.313 42.041 1.00 8.08 O -ATOM 478 N PRO A 63 61.323 -66.119 42.089 1.00 8.73 N -ATOM 479 CA PRO A 63 61.601 -66.397 40.685 1.00 8.82 C -ATOM 480 CB PRO A 63 62.863 -65.565 40.370 1.00 10.24 C -ATOM 481 CG PRO A 63 63.418 -65.148 41.705 1.00 12.71 C -ATOM 482 CD PRO A 63 62.323 -65.242 42.718 1.00 10.22 C -ATOM 483 C PRO A 63 61.773 -67.893 40.460 1.00 8.85 C -ATOM 484 O PRO A 63 62.341 -68.576 41.286 1.00 9.03 O -ATOM 485 N HIS A 64 61.300 -68.370 39.313 1.00 8.62 N -ATOM 486 CA HIS A 64 61.637 -69.719 38.781 1.00 9.38 C -ATOM 487 CB HIS A 64 63.160 -69.886 38.597 1.00 10.20 C -ATOM 488 CG HIS A 64 63.861 -68.675 38.097 1.00 10.52 C -ATOM 489 ND1 HIS A 64 63.510 -67.950 36.992 1.00 12.72 N -ATOM 490 CE1 HIS A 64 64.414 -66.992 36.794 1.00 11.93 C -ATOM 491 NE2 HIS A 64 65.316 -67.084 37.737 1.00 14.64 N -ATOM 492 CD2 HIS A 64 65.014 -68.134 38.564 1.00 11.72 C -ATOM 493 C HIS A 64 61.071 -70.766 39.710 1.00 9.49 C -ATOM 494 O HIS A 64 61.614 -71.870 39.752 1.00 12.64 O -ATOM 495 N HIS A 65 60.005 -70.454 40.427 1.00 9.10 N -ATOM 496 CA HIS A 65 59.443 -71.343 41.454 1.00 8.60 C -ATOM 497 CB HIS A 65 59.968 -70.865 42.816 1.00 9.62 C -ATOM 498 CG HIS A 65 59.299 -71.424 44.031 1.00 10.73 C -ATOM 499 ND1 HIS A 65 58.124 -70.910 44.544 1.00 10.80 N -ATOM 500 CE1 HIS A 65 57.761 -71.617 45.586 1.00 10.70 C -ATOM 501 NE2 HIS A 65 58.691 -72.611 45.778 1.00 11.44 N -ATOM 502 CD2 HIS A 65 59.638 -72.484 44.809 1.00 11.10 C -ATOM 503 C HIS A 65 57.928 -71.187 41.426 1.00 7.47 C -ATOM 504 O HIS A 65 57.435 -70.041 41.234 1.00 7.65 O -ATOM 505 N TRP A 66 57.245 -72.272 41.677 1.00 7.39 N -ATOM 506 CA TRP A 66 55.783 -72.273 41.899 1.00 6.57 C -ATOM 507 CB TRP A 66 54.985 -72.622 40.626 1.00 7.22 C -ATOM 508 CG TRP A 66 55.073 -71.649 39.499 1.00 6.89 C -ATOM 509 CD1 TRP A 66 54.128 -70.730 39.145 1.00 6.52 C -ATOM 510 NE1 TRP A 66 54.519 -70.017 38.046 1.00 6.58 N -ATOM 511 CE2 TRP A 66 55.737 -70.483 37.629 1.00 6.53 C -ATOM 512 CD2 TRP A 66 56.122 -71.512 38.535 1.00 6.93 C -ATOM 513 CE3 TRP A 66 57.367 -72.117 38.331 1.00 7.35 C -ATOM 514 CZ3 TRP A 66 58.142 -71.714 37.271 1.00 7.77 C -ATOM 515 CH2 TRP A 66 57.765 -70.666 36.435 1.00 8.27 C -ATOM 516 CZ2 TRP A 66 56.535 -70.068 36.566 1.00 7.32 C -ATOM 517 C TRP A 66 55.465 -73.220 43.064 1.00 6.85 C -ATOM 518 O TRP A 66 56.174 -74.202 43.292 1.00 7.75 O -ATOM 519 N PHE A 67 54.336 -72.955 43.713 1.00 6.76 N -ATOM 520 CA PHE A 67 53.776 -73.780 44.794 1.00 7.29 C -ATOM 521 CB PHE A 67 53.105 -72.877 45.826 1.00 7.56 C -ATOM 522 CG PHE A 67 54.019 -71.903 46.522 1.00 7.57 C -ATOM 523 CD1 PHE A 67 54.665 -72.266 47.688 1.00 8.28 C -ATOM 524 CE1 PHE A 67 55.481 -71.356 48.345 1.00 9.01 C -ATOM 525 CZ PHE A 67 55.621 -70.068 47.865 1.00 8.45 C -ATOM 526 CD2 PHE A 67 54.194 -70.609 46.036 1.00 7.87 C -ATOM 527 CE2 PHE A 67 54.989 -69.703 46.705 1.00 8.18 C -ATOM 528 C PHE A 67 52.784 -74.775 44.219 1.00 6.69 C -ATOM 529 O PHE A 67 52.161 -74.474 43.168 1.00 7.39 O -ATOM 530 N VAL A 68 52.487 -75.828 44.977 1.00 7.33 N -ATOM 531 CA VAL A 68 51.405 -76.775 44.631 1.00 6.96 C -ATOM 532 CB VAL A 68 51.945 -78.136 44.146 1.00 7.37 C -ATOM 533 CG1 VAL A 68 50.831 -79.158 44.001 1.00 7.48 C -ATOM 534 CG2 VAL A 68 52.695 -77.966 42.840 1.00 7.99 C -ATOM 535 C VAL A 68 50.507 -76.892 45.837 1.00 7.20 C -ATOM 536 O VAL A 68 50.988 -77.336 46.918 1.00 7.43 O -ATOM 537 N ARG A 69 49.247 -76.519 45.681 1.00 6.78 N -ATOM 538 CA ARG A 69 48.249 -76.621 46.743 1.00 7.50 C -ATOM 539 CB ARG A 69 48.418 -75.524 47.812 1.00 6.89 C -ATOM 540 CG ARG A 69 48.218 -74.113 47.292 1.00 6.95 C -ATOM 541 CD ARG A 69 48.286 -73.080 48.411 1.00 7.14 C -ATOM 542 NE ARG A 69 48.116 -71.716 47.937 1.00 7.24 N -ATOM 543 CZ ARG A 69 49.050 -70.961 47.357 1.00 6.62 C -ATOM 544 NH1 ARG A 69 50.299 -71.375 47.265 1.00 7.09 N -ATOM 545 NH2 ARG A 69 48.711 -69.772 46.857 1.00 7.33 N -ATOM 546 C ARG A 69 46.897 -76.481 46.069 1.00 7.60 C -ATOM 547 O ARG A 69 46.818 -76.081 44.888 1.00 7.50 O -ATOM 548 N HIS A 70 45.872 -76.726 46.848 1.00 8.45 N -ATOM 549 CA HIS A 70 44.488 -76.634 46.347 1.00 10.19 C -ATOM 550 CB HIS A 70 43.616 -77.700 47.015 1.00 11.78 C -ATOM 551 CG HIS A 70 42.214 -77.716 46.502 1.00 14.49 C -ATOM 552 ND1 HIS A 70 41.861 -78.456 45.402 1.00 17.00 N -ATOM 553 CE1 HIS A 70 40.587 -78.279 45.135 1.00 17.05 C -ATOM 554 NE2 HIS A 70 40.101 -77.408 46.004 1.00 18.35 N -ATOM 555 CD2 HIS A 70 41.106 -77.025 46.855 1.00 17.25 C -ATOM 556 C HIS A 70 43.890 -75.239 46.578 1.00 10.48 C -ATOM 557 O HIS A 70 43.186 -74.763 45.705 1.00 12.38 O -ATOM 558 N ASN A 71 44.081 -74.656 47.752 1.00 11.29 N -ATOM 559 CA ASN A 71 43.352 -73.429 48.173 1.00 11.31 C -ATOM 560 CB ASN A 71 43.022 -73.515 49.660 1.00 14.33 C -ATOM 561 CG ASN A 71 42.246 -74.775 49.950 1.00 16.30 C -ATOM 562 OD1 ASN A 71 42.799 -75.758 50.413 1.00 23.97 O -ATOM 563 ND2 ASN A 71 40.984 -74.767 49.590 1.00 17.16 N -ATOM 564 C ASN A 71 44.185 -72.193 47.884 1.00 10.86 C -ATOM 565 O ASN A 71 45.419 -72.266 47.815 1.00 9.65 O -ATOM 566 N PRO A 72 43.562 -71.003 47.763 1.00 10.32 N -ATOM 567 CA PRO A 72 44.351 -69.782 47.599 1.00 10.46 C -ATOM 568 CB PRO A 72 43.299 -68.667 47.533 1.00 11.40 C -ATOM 569 CG PRO A 72 42.051 -69.344 47.029 1.00 11.82 C -ATOM 570 CD PRO A 72 42.112 -70.754 47.593 1.00 11.35 C -ATOM 571 C PRO A 72 45.346 -69.502 48.732 1.00 10.00 C -ATOM 572 O PRO A 72 46.390 -68.949 48.459 1.00 10.03 O -ATOM 573 N GLY A 73 44.993 -69.880 49.948 1.00 10.84 N -ATOM 574 CA GLY A 73 45.866 -69.734 51.123 1.00 11.50 C -ATOM 575 C GLY A 73 45.527 -68.526 51.988 1.00 12.87 C -ATOM 576 O GLY A 73 46.334 -68.178 52.881 1.00 14.84 O -ATOM 577 N THR A 74 44.401 -67.871 51.728 1.00 13.91 N -ATOM 578 CA THR A 74 43.918 -66.703 52.523 1.00 15.38 C -ATOM 579 CB THR A 74 42.877 -65.911 51.732 1.00 14.53 C -ATOM 580 OG1 THR A 74 43.498 -65.553 50.504 1.00 14.03 O -ATOM 581 CG2 THR A 74 42.406 -64.679 52.469 1.00 16.28 C -ATOM 582 C THR A 74 43.341 -67.168 53.867 1.00 16.31 C -ATOM 583 O THR A 74 43.618 -66.519 54.936 1.00 18.00 O -ATOM 584 N LEU A 75 42.612 -68.283 53.826 1.00 19.89 N -ATOM 585 CA LEU A 75 41.905 -68.902 54.981 1.00 21.04 C -ATOM 586 CB LEU A 75 40.422 -69.004 54.628 1.00 20.67 C -ATOM 587 CG LEU A 75 39.763 -67.712 54.126 1.00 21.31 C -ATOM 588 CD1 LEU A 75 38.286 -67.948 53.846 1.00 22.24 C -ATOM 589 CD2 LEU A 75 39.902 -66.551 55.110 1.00 18.97 C -ATOM 590 C LEU A 75 42.506 -70.287 55.277 1.00 23.37 C -ATOM 591 O LEU A 75 42.696 -70.584 56.452 1.00 26.92 O -ATOM 592 N PHE A 76 42.789 -71.106 54.254 1.00 23.68 N -ATOM 593 CA PHE A 76 43.340 -72.486 54.395 1.00 24.04 C -ATOM 594 CB PHE A 76 42.650 -73.444 53.426 1.00 24.79 C -ATOM 595 CG PHE A 76 41.179 -73.624 53.697 1.00 27.74 C -ATOM 596 CD1 PHE A 76 40.757 -74.401 54.766 1.00 29.88 C -ATOM 597 CE1 PHE A 76 39.403 -74.557 55.032 1.00 30.15 C -ATOM 598 CZ PHE A 76 38.460 -73.947 54.230 1.00 30.68 C -ATOM 599 CD2 PHE A 76 40.222 -73.008 52.900 1.00 28.95 C -ATOM 600 CE2 PHE A 76 38.867 -73.177 53.160 1.00 32.18 C -ATOM 601 C PHE A 76 44.847 -72.520 54.137 1.00 23.46 C -ATOM 602 O PHE A 76 45.442 -71.439 53.938 1.00 20.59 O -ATOM 603 N GLN A 77 45.428 -73.727 54.114 1.00 22.09 N -ATOM 604 CA GLN A 77 46.896 -73.936 54.112 1.00 21.00 C -ATOM 605 CB GLN A 77 47.294 -75.418 54.215 1.00 23.78 C -ATOM 606 CG GLN A 77 48.459 -75.678 55.176 1.00 28.66 C -ATOM 607 CD GLN A 77 48.842 -77.135 55.363 1.00 30.67 C -ATOM 608 OE1 GLN A 77 48.139 -78.058 54.935 1.00 38.06 O -ATOM 609 NE2 GLN A 77 49.974 -77.367 56.011 1.00 31.78 N -ATOM 610 C GLN A 77 47.426 -73.196 52.881 1.00 16.90 C -ATOM 611 O GLN A 77 46.949 -73.436 51.726 1.00 17.10 O -ATOM 612 N SER A 78 48.333 -72.269 53.148 1.00 14.98 N -ATOM 613 CA SER A 78 49.065 -71.508 52.106 1.00 13.58 C -ATOM 614 CB SER A 78 49.422 -70.138 52.599 1.00 14.04 C -ATOM 615 OG SER A 78 50.377 -70.204 53.653 1.00 15.84 O -ATOM 616 C SER A 78 50.323 -72.272 51.663 1.00 12.45 C -ATOM 617 O SER A 78 50.688 -73.320 52.242 1.00 15.14 O -ATOM 618 N GLY A 79 51.063 -71.733 50.724 1.00 11.24 N -ATOM 619 CA GLY A 79 52.347 -72.345 50.358 1.00 9.74 C -ATOM 620 C GLY A 79 52.143 -73.671 49.641 1.00 9.09 C -ATOM 621 O GLY A 79 51.427 -73.721 48.623 1.00 8.20 O -ATOM 622 N ASN A 80 52.779 -74.723 50.137 1.00 9.43 N -ATOM 623 CA ASN A 80 52.655 -76.070 49.526 1.00 9.36 C -ATOM 624 CB ASN A 80 54.004 -76.750 49.353 1.00 9.25 C -ATOM 625 CG ASN A 80 54.896 -75.963 48.416 1.00 8.62 C -ATOM 626 OD1 ASN A 80 56.047 -75.631 48.754 1.00 11.36 O -ATOM 627 ND2 ASN A 80 54.390 -75.644 47.249 1.00 7.20 N -ATOM 628 C ASN A 80 51.733 -76.903 50.404 1.00 9.90 C -ATOM 629 O ASN A 80 51.950 -76.918 51.647 1.00 11.36 O -ATOM 630 N ASP A 81 50.795 -77.616 49.806 1.00 9.78 N -ATOM 631 CA ASP A 81 49.895 -78.500 50.549 1.00 10.69 C -ATOM 632 CB ASP A 81 48.679 -77.699 50.988 1.00 12.47 C -ATOM 633 CG ASP A 81 47.624 -78.518 51.689 1.00 14.31 C -ATOM 634 OD1 ASP A 81 47.861 -79.728 51.971 1.00 15.73 O -ATOM 635 OD2 ASP A 81 46.578 -77.940 51.960 1.00 17.95 O -ATOM 636 C ASP A 81 49.609 -79.637 49.577 1.00 9.71 C -ATOM 637 O ASP A 81 48.718 -79.516 48.729 1.00 9.01 O -ATOM 638 N ASN A 82 50.350 -80.729 49.684 1.00 9.87 N -ATOM 639 CA ASN A 82 50.305 -81.779 48.649 1.00 9.21 C -ATOM 640 CB ASN A 82 50.879 -81.276 47.318 1.00 8.64 C -ATOM 641 CG ASN A 82 52.349 -80.963 47.418 1.00 9.15 C -ATOM 642 OD1 ASN A 82 53.134 -81.879 47.672 1.00 10.43 O -ATOM 643 ND2 ASN A 82 52.760 -79.723 47.206 1.00 9.95 N -ATOM 644 C ASN A 82 51.049 -83.018 49.154 1.00 9.64 C -ATOM 645 O ASN A 82 51.749 -82.964 50.224 1.00 10.35 O -ATOM 646 N ASN A 83 50.960 -84.103 48.389 1.00 8.97 N -ATOM 647 CA ASN A 83 51.536 -85.415 48.734 1.00 10.39 C -ATOM 648 CB ASN A 83 50.499 -86.492 48.472 1.00 10.14 C -ATOM 649 CG ASN A 83 50.043 -86.521 47.030 1.00 9.06 C -ATOM 650 OD1 ASN A 83 50.711 -85.964 46.156 1.00 10.04 O -ATOM 651 ND2 ASN A 83 48.947 -87.213 46.827 1.00 9.90 N -ATOM 652 C ASN A 83 52.831 -85.656 47.968 1.00 10.31 C -ATOM 653 O ASN A 83 53.276 -86.833 47.933 1.00 10.50 O -ATOM 654 N CYS A 84 53.483 -84.644 47.469 1.00 9.65 N -ATOM 655 CA CYS A 84 54.784 -84.806 46.798 1.00 10.54 C -ATOM 656 CB CYS A 84 55.047 -83.656 45.840 1.00 9.28 C -ATOM 657 SG CYS A 84 53.702 -83.418 44.665 1.00 9.78 S -ATOM 658 C CYS A 84 55.912 -84.913 47.838 1.00 12.61 C -ATOM 659 O CYS A 84 55.759 -84.494 48.992 1.00 13.22 O -ATOM 660 N THR A 85 57.054 -85.430 47.423 1.00 13.28 N -ATOM 661 CA THR A 85 58.275 -85.487 48.268 1.00 15.93 C -ATOM 662 CB THR A 85 59.454 -85.967 47.427 1.00 17.20 C -ATOM 663 OG1 THR A 85 59.127 -87.286 46.975 1.00 16.08 O -ATOM 664 CG2 THR A 85 60.763 -85.976 48.199 1.00 19.47 C -ATOM 665 C THR A 85 58.541 -84.117 48.910 1.00 17.27 C -ATOM 666 O THR A 85 58.550 -83.047 48.189 1.00 16.04 O -ATOM 667 N GLY A 86 58.756 -84.114 50.238 1.00 20.24 N -ATOM 668 CA GLY A 86 59.063 -82.890 51.006 1.00 22.40 C -ATOM 669 C GLY A 86 60.443 -82.342 50.669 1.00 28.23 C -ATOM 670 O GLY A 86 61.425 -83.142 50.739 1.00 34.31 O -ATOM 671 N ASP A 88 54.878 -83.841 52.223 1.00 43.32 N -ATOM 672 CA ASP A 88 55.178 -82.636 53.051 1.00 45.77 C -ATOM 673 CB ASP A 88 53.924 -82.172 53.812 1.00 49.26 C -ATOM 674 CG ASP A 88 54.023 -80.782 54.438 1.00 53.79 C -ATOM 675 OD1 ASP A 88 54.718 -79.898 53.842 1.00 59.72 O -ATOM 676 OD2 ASP A 88 53.401 -80.583 55.523 1.00 66.91 O -ATOM 677 C ASP A 88 56.359 -82.938 53.990 1.00 44.17 C -ATOM 678 O ASP A 88 56.732 -84.128 54.100 1.00 41.97 O -ATOM 679 N GLY A 88A 56.932 -81.902 54.624 1.00 40.55 N -ATOM 680 CA GLY A 88A 58.002 -82.021 55.637 1.00 34.33 C -ATOM 681 C GLY A 88A 58.561 -80.671 56.048 1.00 31.81 C -ATOM 682 O GLY A 88A 58.214 -80.200 57.155 1.00 25.95 O -ATOM 683 N THR A 89 59.402 -80.092 55.184 1.00 28.20 N -ATOM 684 CA THR A 89 60.103 -78.788 55.340 1.00 29.21 C -ATOM 685 CB THR A 89 61.577 -78.934 54.924 1.00 34.50 C -ATOM 686 OG1 THR A 89 62.162 -77.635 54.832 1.00 40.90 O -ATOM 687 CG2 THR A 89 61.782 -79.660 53.608 1.00 35.73 C -ATOM 688 C THR A 89 59.345 -77.694 54.564 1.00 23.87 C -ATOM 689 O THR A 89 59.832 -76.546 54.519 1.00 24.80 O -ATOM 690 N GLY A 90 58.197 -78.039 53.963 1.00 19.64 N -ATOM 691 CA GLY A 90 57.351 -77.108 53.194 1.00 18.03 C -ATOM 692 C GLY A 90 57.990 -76.797 51.864 1.00 16.33 C -ATOM 693 O GLY A 90 57.522 -75.842 51.248 1.00 14.63 O -ATOM 694 N LYS A 91 59.013 -77.564 51.464 1.00 16.55 N -ATOM 695 CA LYS A 91 59.747 -77.421 50.174 1.00 18.12 C -ATOM 696 CB LYS A 91 61.255 -77.608 50.365 1.00 20.87 C -ATOM 697 CG LYS A 91 61.935 -76.583 51.258 1.00 24.03 C -ATOM 698 CD LYS A 91 63.380 -76.953 51.528 1.00 26.80 C -ATOM 699 CE LYS A 91 64.246 -75.775 51.921 1.00 27.98 C -ATOM 700 NZ LYS A 91 63.654 -75.063 53.077 1.00 29.80 N -ATOM 701 C LYS A 91 59.193 -78.420 49.136 1.00 14.02 C -ATOM 702 O LYS A 91 59.838 -78.594 48.101 1.00 14.42 O -ATOM 703 N ASN A 92 58.052 -79.056 49.390 1.00 11.13 N -ATOM 704 CA ASN A 92 57.334 -79.853 48.357 1.00 11.04 C -ATOM 705 CB ASN A 92 56.338 -80.835 48.961 1.00 12.05 C -ATOM 706 CG ASN A 92 55.477 -80.263 50.059 1.00 11.90 C -ATOM 707 OD1 ASN A 92 55.913 -79.366 50.823 1.00 11.66 O -ATOM 708 ND2 ASN A 92 54.259 -80.757 50.121 1.00 11.45 N -ATOM 709 C ASN A 92 56.650 -78.897 47.354 1.00 9.14 C -ATOM 710 O ASN A 92 55.454 -78.848 47.370 1.00 8.74 O -ATOM 711 N ASP A 93 57.430 -78.269 46.501 1.00 9.52 N -ATOM 712 CA ASP A 93 56.891 -77.263 45.559 1.00 9.20 C -ATOM 713 CB ASP A 93 57.873 -76.113 45.416 1.00 9.90 C -ATOM 714 CG ASP A 93 59.243 -76.493 44.846 1.00 11.64 C -ATOM 715 OD1 ASP A 93 59.584 -77.709 44.711 1.00 12.15 O -ATOM 716 OD2 ASP A 93 59.985 -75.590 44.555 1.00 15.06 O -ATOM 717 C ASP A 93 56.670 -77.893 44.181 1.00 8.35 C -ATOM 718 O ASP A 93 56.697 -79.149 44.042 1.00 8.87 O -ATOM 719 N LEU A 94 56.448 -77.102 43.144 1.00 7.33 N -ATOM 720 CA LEU A 94 56.120 -77.702 41.832 1.00 7.91 C -ATOM 721 CB LEU A 94 55.790 -76.590 40.850 1.00 8.15 C -ATOM 722 CG LEU A 94 55.591 -77.084 39.429 1.00 8.61 C -ATOM 723 CD1 LEU A 94 54.432 -78.054 39.305 1.00 8.57 C -ATOM 724 CD2 LEU A 94 55.351 -75.928 38.467 1.00 8.23 C -ATOM 725 C LEU A 94 57.325 -78.508 41.371 1.00 7.89 C -ATOM 726 O LEU A 94 57.129 -79.619 40.889 1.00 8.22 O -ATOM 727 N GLU A 95 58.534 -77.953 41.496 1.00 8.02 N -ATOM 728 CA GLU A 95 59.745 -78.660 41.040 1.00 9.07 C -ATOM 729 CB GLU A 95 60.984 -77.799 41.244 1.00 9.35 C -ATOM 730 CG GLU A 95 62.255 -78.485 40.819 1.00 10.24 C -ATOM 731 CD GLU A 95 63.452 -77.565 40.665 1.00 11.90 C -ATOM 732 OE1 GLU A 95 63.303 -76.323 40.712 1.00 12.46 O -ATOM 733 OE2 GLU A 95 64.588 -78.078 40.501 1.00 12.71 O -ATOM 734 C GLU A 95 59.833 -80.023 41.748 1.00 9.31 C -ATOM 735 O GLU A 95 60.146 -81.024 41.080 1.00 9.75 O -ATOM 736 N ALA A 96 59.554 -80.096 43.048 1.00 8.99 N -ATOM 737 CA ALA A 96 59.568 -81.393 43.773 1.00 9.40 C -ATOM 738 CB ALA A 96 59.350 -81.191 45.248 1.00 9.26 C -ATOM 739 C ALA A 96 58.540 -82.362 43.168 1.00 9.70 C -ATOM 740 O ALA A 96 58.873 -83.575 42.983 1.00 9.48 O -ATOM 741 N CYS A 97 57.329 -81.924 42.905 1.00 9.45 N -ATOM 742 CA CYS A 97 56.300 -82.825 42.357 1.00 8.61 C -ATOM 743 CB CYS A 97 54.942 -82.133 42.256 1.00 9.31 C -ATOM 744 SG CYS A 97 54.227 -81.617 43.850 1.00 9.12 S -ATOM 745 C CYS A 97 56.698 -83.294 40.967 1.00 8.93 C -ATOM 746 O CYS A 97 56.515 -84.476 40.640 1.00 9.49 O -ATOM 747 N LEU A 98 57.241 -82.410 40.151 1.00 9.33 N -ATOM 748 CA LEU A 98 57.710 -82.813 38.814 1.00 9.04 C -ATOM 749 CB LEU A 98 58.183 -81.607 38.020 1.00 8.53 C -ATOM 750 CG LEU A 98 57.124 -80.527 37.732 1.00 9.49 C -ATOM 751 CD1 LEU A 98 57.708 -79.379 36.933 1.00 10.15 C -ATOM 752 CD2 LEU A 98 55.910 -81.095 37.017 1.00 9.83 C -ATOM 753 C LEU A 98 58.849 -83.822 38.978 1.00 9.73 C -ATOM 754 O LEU A 98 58.941 -84.762 38.192 1.00 10.05 O -ATOM 755 N ASN A 99 59.751 -83.582 39.913 1.00 10.42 N -ATOM 756 CA ASN A 99 60.853 -84.545 40.148 1.00 10.96 C -ATOM 757 CB ASN A 99 61.877 -83.996 41.133 1.00 12.48 C -ATOM 758 CG ASN A 99 62.944 -83.182 40.440 1.00 14.50 C -ATOM 759 OD1 ASN A 99 63.398 -83.545 39.364 1.00 17.99 O -ATOM 760 ND2 ASN A 99 63.374 -82.111 41.073 1.00 19.10 N -ATOM 761 C ASN A 99 60.319 -85.894 40.605 1.00 10.34 C -ATOM 762 O ASN A 99 60.956 -86.930 40.249 1.00 11.76 O -ATOM 763 N ASP A 100 59.234 -85.962 41.350 1.00 10.18 N -ATOM 764 CA ASP A 100 58.641 -87.278 41.667 1.00 10.79 C -ATOM 765 CB ASP A 100 57.413 -87.134 42.542 1.00 10.38 C -ATOM 766 CG ASP A 100 57.725 -86.814 43.986 1.00 10.61 C -ATOM 767 OD1 ASP A 100 58.894 -87.014 44.423 1.00 13.05 O -ATOM 768 OD2 ASP A 100 56.789 -86.394 44.656 1.00 11.28 O -ATOM 769 C ASP A 100 58.306 -88.015 40.368 1.00 9.97 C -ATOM 770 O ASP A 100 58.513 -89.245 40.272 1.00 11.46 O -ATOM 771 N VAL A 101 57.803 -87.319 39.345 1.00 9.94 N -ATOM 772 CA VAL A 101 57.437 -87.998 38.072 1.00 9.16 C -ATOM 773 CB VAL A 101 56.479 -87.121 37.256 1.00 9.47 C -ATOM 774 CG1 VAL A 101 56.167 -87.711 35.896 1.00 9.69 C -ATOM 775 CG2 VAL A 101 55.200 -86.813 38.014 1.00 10.20 C -ATOM 776 C VAL A 101 58.700 -88.370 37.303 1.00 8.98 C -ATOM 777 O VAL A 101 58.806 -89.500 36.764 1.00 9.20 O -ATOM 778 N LYS A 102 59.663 -87.473 37.237 1.00 9.55 N -ATOM 779 CA LYS A 102 60.965 -87.736 36.580 1.00 10.38 C -ATOM 780 CB LYS A 102 61.813 -86.468 36.659 1.00 11.75 C -ATOM 781 CG LYS A 102 63.112 -86.489 35.866 1.00 15.40 C -ATOM 782 CD LYS A 102 64.150 -85.602 36.518 1.00 19.50 C -ATOM 783 CE LYS A 102 65.567 -86.083 36.321 1.00 22.80 C -ATOM 784 NZ LYS A 102 65.940 -87.057 37.368 1.00 24.45 N -ATOM 785 C LYS A 102 61.593 -88.972 37.227 1.00 10.61 C -ATOM 786 O LYS A 102 62.073 -89.867 36.464 1.00 11.65 O -ATOM 787 N ASN A 103 61.627 -89.042 38.549 1.00 10.54 N -ATOM 788 CA ASN A 103 62.309 -90.177 39.218 1.00 11.28 C -ATOM 789 CB ASN A 103 62.478 -89.912 40.708 1.00 12.64 C -ATOM 790 CG ASN A 103 63.446 -88.788 40.989 1.00 13.72 C -ATOM 791 OD1 ASN A 103 64.376 -88.541 40.243 1.00 15.15 O -ATOM 792 ND2 ASN A 103 63.202 -88.121 42.106 1.00 15.32 N -ATOM 793 C ASN A 103 61.521 -91.469 39.000 1.00 11.09 C -ATOM 794 O ASN A 103 62.144 -92.552 38.770 1.00 11.60 O -ATOM 795 N TRP A 104 60.198 -91.436 39.042 1.00 11.14 N -ATOM 796 CA TRP A 104 59.430 -92.657 38.739 1.00 10.44 C -ATOM 797 CB TRP A 104 57.935 -92.423 38.965 1.00 10.37 C -ATOM 798 CG TRP A 104 57.120 -93.656 38.739 1.00 10.79 C -ATOM 799 CD1 TRP A 104 56.603 -94.446 39.715 1.00 10.76 C -ATOM 800 NE1 TRP A 104 55.928 -95.490 39.169 1.00 10.75 N -ATOM 801 CE2 TRP A 104 55.953 -95.396 37.792 1.00 9.99 C -ATOM 802 CD2 TRP A 104 56.695 -94.234 37.489 1.00 10.42 C -ATOM 803 CE3 TRP A 104 56.842 -93.897 36.146 1.00 10.99 C -ATOM 804 CZ3 TRP A 104 56.296 -94.699 35.162 1.00 10.19 C -ATOM 805 CH2 TRP A 104 55.604 -95.861 35.492 1.00 10.33 C -ATOM 806 CZ2 TRP A 104 55.375 -96.207 36.801 1.00 10.58 C -ATOM 807 C TRP A 104 59.772 -93.085 37.303 1.00 10.70 C -ATOM 808 O TRP A 104 60.008 -94.297 37.037 1.00 10.66 O -ATOM 809 N SER A 105 59.840 -92.142 36.381 1.00 10.10 N -ATOM 810 CA SER A 105 60.093 -92.447 34.960 1.00 9.84 C -ATOM 811 CB SER A 105 60.057 -91.191 34.133 1.00 9.45 C -ATOM 812 OG SER A 105 60.571 -91.401 32.820 1.00 9.73 O -ATOM 813 C SER A 105 61.478 -93.120 34.874 1.00 9.64 C -ATOM 814 O SER A 105 61.613 -94.164 34.184 1.00 10.12 O -ATOM 815 N ASP A 106 62.509 -92.541 35.490 1.00 10.32 N -ATOM 816 CA ASP A 106 63.846 -93.182 35.462 1.00 11.90 C -ATOM 817 CB ASP A 106 64.863 -92.403 36.278 1.00 12.28 C -ATOM 818 CG ASP A 106 65.271 -91.062 35.673 1.00 13.44 C -ATOM 819 OD1 ASP A 106 65.101 -90.869 34.466 1.00 13.92 O -ATOM 820 OD2 ASP A 106 65.821 -90.260 36.404 1.00 14.79 O -ATOM 821 C ASP A 106 63.824 -94.624 36.002 1.00 12.68 C -ATOM 822 O ASP A 106 64.611 -95.482 35.504 1.00 14.03 O -ATOM 823 N LYS A 107 63.000 -94.917 36.987 1.00 12.51 N -ATOM 824 CA LYS A 107 62.916 -96.276 37.584 1.00 13.21 C -ATOM 825 CB LYS A 107 62.403 -96.166 39.014 1.00 16.40 C -ATOM 826 CG LYS A 107 63.388 -95.457 39.909 1.00 19.06 C -ATOM 827 CD LYS A 107 63.086 -95.449 41.372 1.00 21.71 C -ATOM 828 CE LYS A 107 64.258 -94.887 42.159 1.00 25.32 C -ATOM 829 NZ LYS A 107 64.279 -93.408 42.121 1.00 29.59 N -ATOM 830 C LYS A 107 62.056 -97.218 36.752 1.00 13.66 C -ATOM 831 O LYS A 107 62.128 -98.426 37.050 1.00 13.11 O -ATOM 832 N HIS A 108 61.325 -96.742 35.737 1.00 13.06 N -ATOM 833 CA HIS A 108 60.455 -97.577 34.892 1.00 12.86 C -ATOM 834 CB HIS A 108 59.003 -97.316 35.265 1.00 12.69 C -ATOM 835 CG HIS A 108 58.712 -97.617 36.694 1.00 13.17 C -ATOM 836 ND1 HIS A 108 59.010 -96.764 37.731 1.00 13.03 N -ATOM 837 CE1 HIS A 108 58.625 -97.302 38.888 1.00 14.01 C -ATOM 838 NE2 HIS A 108 58.108 -98.522 38.622 1.00 15.41 N -ATOM 839 CD2 HIS A 108 58.203 -98.733 37.273 1.00 13.00 C -ATOM 840 C HIS A 108 60.753 -97.320 33.423 1.00 13.20 C -ATOM 841 O HIS A 108 59.876 -96.843 32.691 1.00 11.96 O -ATOM 842 N PRO A 109 61.971 -97.653 32.927 1.00 13.51 N -ATOM 843 CA PRO A 109 62.221 -97.613 31.500 1.00 14.23 C -ATOM 844 CB PRO A 109 63.578 -98.319 31.300 1.00 15.93 C -ATOM 845 CG PRO A 109 64.193 -98.507 32.675 1.00 17.14 C -ATOM 846 CD PRO A 109 63.142 -98.112 33.704 1.00 14.86 C -ATOM 847 C PRO A 109 61.141 -98.360 30.712 1.00 14.89 C -ATOM 848 O PRO A 109 60.723 -99.409 31.130 1.00 15.25 O -ATOM 849 N GLY A 110 60.754 -97.808 29.569 1.00 13.07 N -ATOM 850 CA GLY A 110 59.753 -98.447 28.711 1.00 12.99 C -ATOM 851 C GLY A 110 58.337 -98.089 29.124 1.00 11.56 C -ATOM 852 O GLY A 110 57.386 -98.667 28.602 1.00 13.76 O -ATOM 853 N HIS A 111 58.164 -97.154 30.062 1.00 10.57 N -ATOM 854 CA HIS A 111 56.807 -96.841 30.568 1.00 9.29 C -ATOM 855 CB HIS A 111 56.798 -95.955 31.810 1.00 9.07 C -ATOM 856 CG HIS A 111 57.351 -94.576 31.622 1.00 9.01 C -ATOM 857 ND1 HIS A 111 56.647 -93.554 31.074 1.00 8.79 N -ATOM 858 CE1 HIS A 111 57.412 -92.472 31.137 1.00 9.00 C -ATOM 859 NE2 HIS A 111 58.601 -92.738 31.654 1.00 8.60 N -ATOM 860 CD2 HIS A 111 58.535 -94.068 32.003 1.00 8.57 C -ATOM 861 C HIS A 111 55.909 -96.257 29.491 1.00 7.99 C -ATOM 862 O HIS A 111 56.383 -95.529 28.602 1.00 8.52 O -ATOM 863 N PHE A 112 54.642 -96.525 29.651 1.00 8.09 N -ATOM 864 CA PHE A 112 53.597 -95.874 28.832 1.00 7.99 C -ATOM 865 CB PHE A 112 52.222 -96.400 29.258 1.00 8.05 C -ATOM 866 CG PHE A 112 51.067 -95.864 28.482 1.00 8.37 C -ATOM 867 CD2 PHE A 112 50.541 -96.614 27.450 1.00 8.55 C -ATOM 868 CE2 PHE A 112 49.493 -96.133 26.723 1.00 8.81 C -ATOM 869 CZ PHE A 112 48.982 -94.896 27.012 1.00 8.38 C -ATOM 870 CD1 PHE A 112 50.514 -94.646 28.789 1.00 7.78 C -ATOM 871 CE1 PHE A 112 49.489 -94.146 28.031 1.00 8.03 C -ATOM 872 C PHE A 112 53.751 -94.366 29.034 1.00 7.70 C -ATOM 873 O PHE A 112 54.051 -93.943 30.147 1.00 8.14 O -ATOM 874 N PRO A 113 53.550 -93.521 28.014 1.00 7.57 N -ATOM 875 CA PRO A 113 53.757 -92.090 28.224 1.00 7.87 C -ATOM 876 CB PRO A 113 53.351 -91.504 26.862 1.00 7.49 C -ATOM 877 CG PRO A 113 52.480 -92.568 26.203 1.00 7.60 C -ATOM 878 CD PRO A 113 53.149 -93.865 26.645 1.00 7.51 C -ATOM 879 C PRO A 113 52.896 -91.534 29.353 1.00 7.48 C -ATOM 880 O PRO A 113 51.758 -91.859 29.468 1.00 7.57 O -ATOM 881 N ILE A 114 53.509 -90.673 30.140 1.00 7.06 N -ATOM 882 CA ILE A 114 52.865 -89.991 31.292 1.00 7.65 C -ATOM 883 CB ILE A 114 53.887 -89.863 32.428 1.00 6.85 C -ATOM 884 C ILE A 114 52.363 -88.633 30.843 1.00 7.12 C -ATOM 885 O ILE A 114 53.144 -87.881 30.258 1.00 8.24 O -ATOM 886 N THR A 115 51.103 -88.333 31.139 1.00 6.72 N -ATOM 887 CA THR A 115 50.539 -87.008 30.852 1.00 7.60 C -ATOM 888 CB THR A 115 49.254 -87.152 30.070 1.00 7.19 C -ATOM 889 OG1 THR A 115 49.539 -87.809 28.829 1.00 8.82 O -ATOM 890 CG2 THR A 115 48.649 -85.798 29.767 1.00 7.74 C -ATOM 891 C THR A 115 50.343 -86.301 32.184 1.00 7.00 C -ATOM 892 O THR A 115 49.728 -86.876 33.093 1.00 7.95 O -ATOM 893 N LEU A 116 50.873 -85.085 32.291 1.00 7.24 N -ATOM 894 CA LEU A 116 50.721 -84.270 33.502 1.00 7.57 C -ATOM 895 CB LEU A 116 52.066 -83.788 34.023 1.00 8.99 C -ATOM 896 CG LEU A 116 53.074 -84.831 34.461 1.00 10.37 C -ATOM 897 CD1 LEU A 116 54.317 -84.175 35.057 1.00 12.06 C -ATOM 898 CD2 LEU A 116 52.462 -85.836 35.430 1.00 10.50 C -ATOM 899 C LEU A 116 49.852 -83.067 33.176 1.00 6.97 C -ATOM 900 O LEU A 116 50.257 -82.198 32.367 1.00 7.16 O -ATOM 901 N ILE A 117 48.694 -82.984 33.808 1.00 6.68 N -ATOM 902 CA ILE A 117 47.794 -81.821 33.711 1.00 7.22 C -ATOM 903 CB ILE A 117 46.357 -82.239 34.008 1.00 8.11 C -ATOM 904 CG1 ILE A 117 45.927 -83.431 33.143 1.00 9.73 C -ATOM 905 CG2 ILE A 117 45.392 -81.057 33.892 1.00 9.17 C -ATOM 906 CD1 ILE A 117 46.020 -83.216 31.643 1.00 8.99 C -ATOM 907 C ILE A 117 48.324 -80.791 34.703 1.00 7.49 C -ATOM 908 O ILE A 117 48.256 -81.031 35.948 1.00 8.72 O -ATOM 909 N LEU A 118 48.825 -79.674 34.195 1.00 7.00 N -ATOM 910 CA LEU A 118 49.335 -78.555 35.019 1.00 6.99 C -ATOM 911 CB LEU A 118 50.677 -78.095 34.448 1.00 6.90 C -ATOM 912 CG LEU A 118 51.724 -79.188 34.254 1.00 7.76 C -ATOM 913 CD1 LEU A 118 52.927 -78.586 33.542 1.00 8.85 C -ATOM 914 CD2 LEU A 118 52.137 -79.827 35.578 1.00 9.47 C -ATOM 915 C LEU A 118 48.269 -77.466 35.044 1.00 6.21 C -ATOM 916 O LEU A 118 48.097 -76.740 34.051 1.00 6.70 O -ATOM 917 N ASP A 119 47.513 -77.459 36.100 1.00 5.93 N -ATOM 918 CA ASP A 119 46.340 -76.604 36.267 1.00 6.23 C -ATOM 919 CB ASP A 119 45.278 -77.363 37.038 1.00 7.08 C -ATOM 920 CG ASP A 119 43.929 -76.682 37.051 1.00 7.79 C -ATOM 921 OD1 ASP A 119 43.760 -75.695 36.321 1.00 9.58 O -ATOM 922 OD2 ASP A 119 43.020 -77.136 37.769 1.00 9.70 O -ATOM 923 C ASP A 119 46.794 -75.328 36.955 1.00 6.04 C -ATOM 924 O ASP A 119 47.012 -75.305 38.168 1.00 6.68 O -ATOM 925 N LYS A 120 47.002 -74.297 36.151 1.00 5.89 N -ATOM 926 CA LYS A 120 47.576 -73.031 36.630 1.00 6.16 C -ATOM 927 CB LYS A 120 48.123 -72.247 35.448 1.00 6.46 C -ATOM 928 CG LYS A 120 48.859 -70.994 35.855 1.00 6.03 C -ATOM 929 CD LYS A 120 49.586 -70.313 34.717 1.00 7.23 C -ATOM 930 CE LYS A 120 50.881 -69.632 35.090 1.00 8.95 C -ATOM 931 NZ LYS A 120 50.774 -68.801 36.316 1.00 6.90 N -ATOM 932 C LYS A 120 46.492 -72.238 37.337 1.00 5.96 C -ATOM 933 O LYS A 120 45.406 -72.061 36.782 1.00 6.04 O -ATOM 934 N LYS A 121 46.794 -71.669 38.491 1.00 6.06 N -ATOM 935 CA LYS A 121 45.780 -71.026 39.350 1.00 6.63 C -ATOM 936 CB LYS A 121 45.829 -71.641 40.739 1.00 7.24 C -ATOM 937 CG LYS A 121 45.434 -73.100 40.715 1.00 8.19 C -ATOM 938 CD LYS A 121 43.993 -73.325 40.368 1.00 9.96 C -ATOM 939 CE LYS A 121 43.643 -74.796 40.264 1.00 10.54 C -ATOM 940 NZ LYS A 121 42.238 -75.033 39.876 1.00 12.09 N -ATOM 941 C LYS A 121 45.904 -69.507 39.398 1.00 6.36 C -ATOM 942 O LYS A 121 44.930 -68.904 39.866 1.00 7.31 O -ATOM 943 N GLN A 122 47.014 -68.928 38.955 1.00 6.41 N -ATOM 944 CA GLN A 122 47.164 -67.461 38.938 1.00 6.69 C -ATOM 945 CB GLN A 122 48.094 -67.000 40.059 1.00 6.43 C -ATOM 946 CG GLN A 122 47.444 -67.165 41.421 1.00 6.96 C -ATOM 947 CD GLN A 122 48.348 -67.003 42.629 1.00 8.10 C -ATOM 948 OE1 GLN A 122 49.478 -67.475 42.636 1.00 8.14 O -ATOM 949 NE2 GLN A 122 47.764 -66.475 43.713 1.00 9.08 N -ATOM 950 C GLN A 122 47.668 -67.047 37.553 1.00 6.96 C -ATOM 951 O GLN A 122 47.841 -67.882 36.648 1.00 9.23 O -ATOM 952 N GLY A 123 47.897 -65.769 37.337 1.00 7.47 N -ATOM 953 CA GLY A 123 48.378 -65.262 36.067 1.00 7.40 C -ATOM 954 C GLY A 123 49.874 -65.434 35.881 1.00 6.85 C -ATOM 955 O GLY A 123 50.578 -65.924 36.746 1.00 7.70 O -ATOM 956 N TRP A 124 50.327 -65.072 34.733 1.00 6.36 N -ATOM 957 CA TRP A 124 51.758 -65.058 34.403 1.00 6.50 C -ATOM 958 CB TRP A 124 51.977 -65.045 32.894 1.00 6.39 C -ATOM 959 CG TRP A 124 51.476 -66.284 32.235 1.00 5.65 C -ATOM 960 CD1 TRP A 124 50.340 -66.433 31.477 1.00 6.13 C -ATOM 961 NE1 TRP A 124 50.192 -67.740 31.102 1.00 5.83 N -ATOM 962 CE2 TRP A 124 51.208 -68.483 31.626 1.00 5.75 C -ATOM 963 CD2 TRP A 124 52.033 -67.603 32.340 1.00 5.60 C -ATOM 964 CE3 TRP A 124 53.188 -68.091 32.966 1.00 6.25 C -ATOM 965 CZ3 TRP A 124 53.477 -69.422 32.896 1.00 6.40 C -ATOM 966 CH2 TRP A 124 52.638 -70.285 32.188 1.00 6.76 C -ATOM 967 CZ2 TRP A 124 51.506 -69.830 31.557 1.00 5.91 C -ATOM 968 C TRP A 124 52.416 -63.812 34.983 1.00 6.54 C -ATOM 969 O TRP A 124 51.770 -62.733 35.041 1.00 7.65 O -ATOM 970 N SER A 125 53.690 -63.884 35.332 1.00 6.40 N -ATOM 971 CA SER A 125 54.435 -62.661 35.697 1.00 6.90 C -ATOM 972 CB SER A 125 55.466 -62.899 36.741 1.00 6.35 C -ATOM 973 OG SER A 125 56.681 -63.414 36.176 1.00 7.43 O -ATOM 974 C SER A 125 55.065 -62.069 34.471 1.00 7.17 C -ATOM 975 O SER A 125 55.107 -62.671 33.405 1.00 7.46 O -ATOM 976 N LYS A 126 55.523 -60.855 34.629 1.00 7.37 N -ATOM 977 CA LYS A 126 56.477 -60.213 33.714 1.00 8.75 C -ATOM 978 CB LYS A 126 56.337 -58.684 33.788 1.00 10.89 C -ATOM 979 CG LYS A 126 54.941 -58.162 33.511 1.00 13.16 C -ATOM 980 CD LYS A 126 54.485 -58.410 32.116 1.00 15.98 C -ATOM 981 CE LYS A 126 53.195 -57.679 31.797 1.00 18.04 C -ATOM 982 NZ LYS A 126 52.927 -57.710 30.343 1.00 23.35 N -ATOM 983 C LYS A 126 57.901 -60.674 34.008 1.00 8.59 C -ATOM 984 O LYS A 126 58.127 -61.374 34.974 1.00 8.34 O -ATOM 985 N GLU A 127 58.819 -60.295 33.117 1.00 9.55 N -ATOM 986 CA GLU A 127 60.201 -60.819 33.099 1.00 10.40 C -ATOM 987 CB GLU A 127 61.058 -60.170 32.014 1.00 11.94 C -ATOM 988 CG GLU A 127 60.864 -60.817 30.651 1.00 14.89 C -ATOM 989 CD GLU A 127 59.493 -60.683 29.979 1.00 16.33 C -ATOM 990 OE1 GLU A 127 58.672 -59.774 30.355 1.00 17.58 O -ATOM 991 OE2 GLU A 127 59.218 -61.514 29.060 1.00 17.04 O -ATOM 992 C GLU A 127 60.840 -60.622 34.461 1.00 9.65 C -ATOM 993 O GLU A 127 61.528 -61.527 34.904 1.00 10.16 O -ATOM 994 N SER A 128 60.650 -59.442 35.044 1.00 9.74 N -ATOM 995 CA SER A 128 61.322 -59.028 36.290 1.00 10.73 C -ATOM 996 CB SER A 128 60.938 -57.601 36.687 1.00 12.17 C -ATOM 997 OG SER A 128 59.545 -57.339 36.604 1.00 13.67 O -ATOM 998 C SER A 128 61.067 -60.020 37.435 1.00 11.47 C -ATOM 999 O SER A 128 61.901 -60.116 38.346 1.00 14.42 O -ATOM 1000 N SER A 129 59.928 -60.703 37.491 1.00 9.75 N -ATOM 1001 CA SER A 129 59.616 -61.618 38.614 1.00 8.74 C -ATOM 1002 CB SER A 129 58.176 -61.447 38.998 1.00 8.48 C -ATOM 1003 OG SER A 129 57.966 -60.146 39.565 1.00 10.22 O -ATOM 1004 C SER A 129 59.920 -63.099 38.311 1.00 8.31 C -ATOM 1005 O SER A 129 59.769 -63.866 39.211 1.00 8.96 O -ATOM 1006 N GLY A 130 60.374 -63.465 37.116 1.00 8.19 N -ATOM 1007 CA GLY A 130 60.932 -64.801 36.886 1.00 7.40 C -ATOM 1008 C GLY A 130 59.888 -65.895 36.771 1.00 7.73 C -ATOM 1009 O GLY A 130 60.253 -67.052 36.971 1.00 7.06 O -ATOM 1010 N ARG A 131 58.638 -65.562 36.469 1.00 7.76 N -ATOM 1011 CA ARG A 131 57.587 -66.601 36.305 1.00 7.21 C -ATOM 1012 CB ARG A 131 56.700 -66.646 37.529 1.00 6.67 C -ATOM 1013 CG ARG A 131 57.423 -67.120 38.779 1.00 7.22 C -ATOM 1014 CD ARG A 131 56.482 -67.317 39.956 1.00 7.54 C -ATOM 1015 NE ARG A 131 55.721 -66.090 40.258 1.00 7.20 N -ATOM 1016 CZ ARG A 131 56.184 -65.104 41.000 1.00 7.70 C -ATOM 1017 NH1 ARG A 131 57.307 -65.260 41.682 1.00 8.07 N -ATOM 1018 NH2 ARG A 131 55.480 -63.991 41.113 1.00 8.18 N -ATOM 1019 C ARG A 131 56.798 -66.297 35.030 1.00 6.91 C -ATOM 1020 O ARG A 131 55.549 -66.375 35.017 1.00 6.95 O -ATOM 1021 N THR A 132 57.501 -65.986 33.962 1.00 6.87 N -ATOM 1022 CA THR A 132 56.898 -65.850 32.626 1.00 6.62 C -ATOM 1023 CB THR A 132 57.829 -65.072 31.694 1.00 6.76 C -ATOM 1024 OG1 THR A 132 58.971 -65.879 31.421 1.00 6.93 O -ATOM 1025 CG2 THR A 132 58.255 -63.733 32.244 1.00 7.02 C -ATOM 1026 C THR A 132 56.652 -67.229 32.027 1.00 6.23 C -ATOM 1027 O THR A 132 57.155 -68.253 32.510 1.00 5.63 O -ATOM 1028 N PRO A 133 55.925 -67.296 30.907 1.00 6.47 N -ATOM 1029 CA PRO A 133 55.860 -68.543 30.144 1.00 6.00 C -ATOM 1030 CB PRO A 133 55.120 -68.115 28.875 1.00 6.35 C -ATOM 1031 CG PRO A 133 54.173 -67.054 29.397 1.00 5.84 C -ATOM 1032 CD PRO A 133 55.043 -66.254 30.341 1.00 6.05 C -ATOM 1033 C PRO A 133 57.244 -69.142 29.851 1.00 5.98 C -ATOM 1034 O PRO A 133 57.383 -70.350 29.929 1.00 6.38 O -ATOM 1035 N LYS A 134 58.206 -68.320 29.480 1.00 6.38 N -ATOM 1036 CA LYS A 134 59.544 -68.849 29.176 1.00 7.61 C -ATOM 1037 CB LYS A 134 60.390 -67.726 28.602 1.00 8.20 C -ATOM 1038 CG LYS A 134 61.801 -68.164 28.219 1.00 10.59 C -ATOM 1039 CD LYS A 134 62.412 -67.229 27.175 1.00 12.98 C -ATOM 1040 CE LYS A 134 63.864 -67.525 26.868 1.00 16.72 C -ATOM 1041 NZ LYS A 134 64.471 -66.510 25.971 1.00 21.30 N -ATOM 1042 C LYS A 134 60.196 -69.437 30.431 1.00 7.24 C -ATOM 1043 O LYS A 134 60.844 -70.480 30.350 1.00 7.60 O -ATOM 1044 N ASP A 135 60.041 -68.778 31.581 1.00 6.57 N -ATOM 1045 CA ASP A 135 60.565 -69.308 32.848 1.00 6.81 C -ATOM 1046 CB ASP A 135 60.318 -68.342 34.000 1.00 7.08 C -ATOM 1047 CG ASP A 135 61.114 -67.052 33.838 1.00 7.84 C -ATOM 1048 OD1 ASP A 135 62.360 -67.101 33.760 1.00 9.35 O -ATOM 1049 OD2 ASP A 135 60.513 -65.976 33.825 1.00 8.22 O -ATOM 1050 C ASP A 135 59.917 -70.653 33.144 1.00 6.79 C -ATOM 1051 O ASP A 135 60.608 -71.562 33.623 1.00 7.70 O -ATOM 1052 N PHE A 136 58.617 -70.783 32.893 1.00 6.43 N -ATOM 1053 CA PHE A 136 57.915 -72.043 33.150 1.00 6.73 C -ATOM 1054 CB PHE A 136 56.430 -71.794 32.979 1.00 7.73 C -ATOM 1055 CG PHE A 136 55.608 -72.975 33.364 1.00 8.25 C -ATOM 1056 CD1 PHE A 136 55.452 -73.248 34.695 1.00 9.06 C -ATOM 1057 CE1 PHE A 136 54.683 -74.303 35.133 1.00 11.18 C -ATOM 1058 CZ PHE A 136 54.047 -75.079 34.228 1.00 12.47 C -ATOM 1059 CD2 PHE A 136 54.957 -73.776 32.443 1.00 11.29 C -ATOM 1060 CE2 PHE A 136 54.171 -74.828 32.895 1.00 11.87 C -ATOM 1061 C PHE A 136 58.455 -73.134 32.233 1.00 6.53 C -ATOM 1062 O PHE A 136 58.769 -74.254 32.714 1.00 7.01 O -ATOM 1063 N ASP A 137 58.614 -72.818 30.968 1.00 6.87 N -ATOM 1064 CA ASP A 137 59.194 -73.786 30.005 1.00 7.03 C -ATOM 1065 CB ASP A 137 59.281 -73.217 28.597 1.00 7.50 C -ATOM 1066 CG ASP A 137 58.001 -73.419 27.815 1.00 7.76 C -ATOM 1067 OD1 ASP A 137 57.006 -73.898 28.411 1.00 8.49 O -ATOM 1068 OD2 ASP A 137 58.029 -73.113 26.601 1.00 9.18 O -ATOM 1069 C ASP A 137 60.586 -74.189 30.461 1.00 7.49 C -ATOM 1070 O ASP A 137 60.986 -75.395 30.369 1.00 7.91 O -ATOM 1071 N GLU A 138 61.382 -73.248 30.933 1.00 7.32 N -ATOM 1072 CA GLU A 138 62.776 -73.570 31.356 1.00 8.49 C -ATOM 1073 CB GLU A 138 63.599 -72.301 31.558 1.00 9.26 C -ATOM 1074 CG GLU A 138 63.845 -71.582 30.254 1.00 11.31 C -ATOM 1075 CD GLU A 138 64.577 -70.279 30.327 1.00 13.24 C -ATOM 1076 OE1 GLU A 138 64.803 -69.775 31.416 1.00 15.79 O -ATOM 1077 OE2 GLU A 138 64.990 -69.784 29.243 1.00 15.18 O -ATOM 1078 C GLU A 138 62.766 -74.469 32.586 1.00 9.33 C -ATOM 1079 O GLU A 138 63.620 -75.392 32.646 1.00 9.86 O -ATOM 1080 N LEU A 139 61.842 -74.308 33.510 1.00 8.58 N -ATOM 1081 CA LEU A 139 61.743 -75.220 34.659 1.00 8.36 C -ATOM 1082 CB LEU A 139 60.644 -74.750 35.618 1.00 8.98 C -ATOM 1083 CG LEU A 139 60.291 -75.787 36.685 1.00 9.97 C -ATOM 1084 CD1 LEU A 139 61.525 -76.229 37.492 1.00 10.89 C -ATOM 1085 CD2 LEU A 139 59.207 -75.264 37.622 1.00 10.72 C -ATOM 1086 C LEU A 139 61.423 -76.605 34.142 1.00 9.09 C -ATOM 1087 O LEU A 139 62.104 -77.557 34.550 1.00 9.17 O -ATOM 1088 N VAL A 140 60.358 -76.769 33.356 1.00 7.79 N -ATOM 1089 CA VAL A 140 59.894 -78.136 33.007 1.00 8.22 C -ATOM 1090 CB VAL A 140 58.486 -78.175 32.396 1.00 8.26 C -ATOM 1091 CG1 VAL A 140 57.444 -77.588 33.342 1.00 8.90 C -ATOM 1092 CG2 VAL A 140 58.414 -77.518 31.025 1.00 7.37 C -ATOM 1093 C VAL A 140 60.937 -78.818 32.135 1.00 8.78 C -ATOM 1094 O VAL A 140 61.118 -80.054 32.244 1.00 9.33 O -ATOM 1095 N ALA A 141 61.610 -78.080 31.280 1.00 9.02 N -ATOM 1096 CA ALA A 141 62.681 -78.653 30.433 1.00 9.51 C -ATOM 1097 CB ALA A 141 63.079 -77.645 29.398 1.00 9.83 C -ATOM 1098 C ALA A 141 63.870 -79.052 31.321 1.00 9.69 C -ATOM 1099 O ALA A 141 64.513 -80.105 31.025 1.00 11.22 O -ATOM 1100 N ARG A 142 64.235 -78.259 32.320 1.00 9.76 N -ATOM 1101 CA ARG A 142 65.380 -78.604 33.207 1.00 11.10 C -ATOM 1102 CB ARG A 142 65.678 -77.445 34.151 1.00 13.43 C -ATOM 1103 CG ARG A 142 66.830 -77.720 35.101 1.00 14.74 C -ATOM 1104 CD ARG A 142 67.222 -76.494 35.881 1.00 15.88 C -ATOM 1105 NE ARG A 142 66.120 -75.801 36.542 1.00 16.09 N -ATOM 1106 CZ ARG A 142 65.617 -76.144 37.706 1.00 15.77 C -ATOM 1107 NH1 ARG A 142 66.068 -77.211 38.335 1.00 15.98 N -ATOM 1108 NH2 ARG A 142 64.618 -75.456 38.218 1.00 16.98 N -ATOM 1109 C ARG A 142 65.050 -79.882 33.971 1.00 11.13 C -ATOM 1110 O ARG A 142 65.950 -80.750 34.183 1.00 10.61 O -ATOM 1111 N VAL A 143 63.818 -80.058 34.407 1.00 9.86 N -ATOM 1112 CA VAL A 143 63.487 -81.279 35.159 1.00 9.85 C -ATOM 1113 CB VAL A 143 62.155 -81.119 35.877 1.00 9.94 C -ATOM 1114 CG1 VAL A 143 61.712 -82.457 36.398 1.00 10.25 C -ATOM 1115 CG2 VAL A 143 62.230 -80.103 36.995 1.00 10.69 C -ATOM 1116 C VAL A 143 63.426 -82.476 34.214 1.00 9.42 C -ATOM 1117 O VAL A 143 64.038 -83.507 34.524 1.00 10.66 O -ATOM 1118 N PHE A 144 62.631 -82.435 33.148 1.00 8.87 N -ATOM 1119 CA PHE A 144 62.362 -83.621 32.294 1.00 9.11 C -ATOM 1120 CB PHE A 144 60.946 -83.536 31.733 1.00 9.31 C -ATOM 1121 CG PHE A 144 59.920 -83.654 32.806 1.00 8.62 C -ATOM 1122 CD1 PHE A 144 59.719 -84.876 33.450 1.00 8.87 C -ATOM 1123 CE1 PHE A 144 58.785 -85.006 34.454 1.00 10.04 C -ATOM 1124 CZ PHE A 144 58.015 -83.921 34.815 1.00 9.58 C -ATOM 1125 CD2 PHE A 144 59.149 -82.556 33.195 1.00 8.74 C -ATOM 1126 CE2 PHE A 144 58.192 -82.706 34.187 1.00 9.92 C -ATOM 1127 C PHE A 144 63.368 -83.831 31.189 1.00 9.41 C -ATOM 1128 O PHE A 144 63.467 -84.965 30.690 1.00 9.18 O -ATOM 1129 N GLN A 145 64.083 -82.813 30.750 1.00 10.71 N -ATOM 1130 CA GLN A 145 65.154 -83.044 29.750 1.00 14.44 C -ATOM 1131 CB GLN A 145 66.561 -83.147 30.357 1.00 19.11 C -ATOM 1132 CG GLN A 145 67.290 -81.819 30.612 1.00 23.64 C -ATOM 1133 CD GLN A 145 67.536 -81.018 29.352 1.00 26.61 C -ATOM 1134 OE1 GLN A 145 66.615 -80.471 28.731 1.00 33.33 O -ATOM 1135 NE2 GLN A 145 68.792 -80.936 28.949 1.00 29.11 N -ATOM 1136 C GLN A 145 64.967 -84.448 29.138 1.00 20.36 C -ATOM 1137 O GLN A 145 64.948 -85.445 29.892 1.00 27.93 O -ATOM 1138 N GLY A 146 65.146 -84.508 27.844 1.00 13.22 N -ATOM 1139 CA GLY A 146 64.775 -85.434 26.764 1.00 10.75 C -ATOM 1140 C GLY A 146 63.484 -86.203 26.926 1.00 9.29 C -ATOM 1141 O GLY A 146 63.052 -86.777 25.945 1.00 10.06 O -ATOM 1142 N LYS A 147 62.932 -86.339 28.112 1.00 8.36 N -ATOM 1143 CA LYS A 147 61.689 -87.118 28.261 1.00 8.08 C -ATOM 1144 CB LYS A 147 61.389 -87.364 29.738 1.00 8.72 C -ATOM 1145 CG LYS A 147 62.393 -88.229 30.480 1.00 8.73 C -ATOM 1146 CD LYS A 147 62.034 -88.333 31.951 1.00 9.24 C -ATOM 1147 CE LYS A 147 63.046 -89.086 32.795 1.00 9.65 C -ATOM 1148 NZ LYS A 147 63.193 -90.499 32.374 1.00 9.36 N -ATOM 1149 C LYS A 147 60.508 -86.384 27.619 1.00 7.14 C -ATOM 1150 O LYS A 147 59.499 -87.022 27.359 1.00 7.73 O -ATOM 1151 N LEU A 148 60.576 -85.063 27.397 1.00 7.23 N -ATOM 1152 CA LEU A 148 59.357 -84.355 26.927 1.00 7.32 C -ATOM 1153 CB LEU A 148 59.533 -82.846 27.005 1.00 8.15 C -ATOM 1154 CG LEU A 148 59.687 -82.329 28.441 1.00 7.80 C -ATOM 1155 CD1 LEU A 148 59.688 -80.817 28.469 1.00 9.39 C -ATOM 1156 CD2 LEU A 148 58.562 -82.789 29.334 1.00 8.43 C -ATOM 1157 C LEU A 148 59.014 -84.730 25.509 1.00 7.58 C -ATOM 1158 O LEU A 148 59.949 -84.822 24.665 1.00 8.84 O -ATOM 1159 N PHE A 149 57.730 -84.840 25.257 1.00 6.84 N -ATOM 1160 CA PHE A 149 57.125 -84.817 23.918 1.00 6.60 C -ATOM 1161 CB PHE A 149 56.298 -86.069 23.652 1.00 7.60 C -ATOM 1162 CG PHE A 149 55.622 -86.069 22.313 1.00 7.66 C -ATOM 1163 CD1 PHE A 149 56.314 -86.470 21.187 1.00 7.22 C -ATOM 1164 CE1 PHE A 149 55.693 -86.492 19.950 1.00 7.74 C -ATOM 1165 CZ PHE A 149 54.375 -86.144 19.828 1.00 8.16 C -ATOM 1166 CD2 PHE A 149 54.283 -85.738 22.183 1.00 8.21 C -ATOM 1167 CE2 PHE A 149 53.664 -85.775 20.943 1.00 8.40 C -ATOM 1168 C PHE A 149 56.312 -83.528 23.844 1.00 6.33 C -ATOM 1169 O PHE A 149 55.412 -83.389 24.672 1.00 7.17 O -ATOM 1170 N THR A 150 56.591 -82.660 22.913 1.00 6.23 N -ATOM 1171 CA THR A 150 56.074 -81.270 22.902 1.00 6.71 C -ATOM 1172 CB THR A 150 57.244 -80.279 22.951 1.00 7.69 C -ATOM 1173 OG1 THR A 150 57.918 -80.388 21.700 1.00 8.67 O -ATOM 1174 CG2 THR A 150 58.188 -80.498 24.122 1.00 7.11 C -ATOM 1175 C THR A 150 55.252 -81.008 21.655 1.00 6.49 C -ATOM 1176 O THR A 150 55.244 -81.762 20.683 1.00 6.67 O -ATOM 1177 N PRO A 151 54.594 -79.822 21.640 1.00 6.12 N -ATOM 1178 CA PRO A 151 53.868 -79.423 20.431 1.00 6.57 C -ATOM 1179 CB PRO A 151 53.382 -77.997 20.798 1.00 7.50 C -ATOM 1180 CG PRO A 151 53.094 -78.102 22.286 1.00 6.92 C -ATOM 1181 CD PRO A 151 54.259 -78.946 22.793 1.00 6.45 C -ATOM 1182 C PRO A 151 54.725 -79.479 19.148 1.00 6.87 C -ATOM 1183 O PRO A 151 54.230 -79.897 18.157 1.00 6.87 O -ATOM 1184 N GLN A 152 55.977 -79.025 19.227 1.00 7.48 N -ATOM 1185 CA GLN A 152 56.852 -79.051 18.025 1.00 8.58 C -ATOM 1186 CB GLN A 152 58.177 -78.342 18.324 1.00 10.49 C -ATOM 1187 CG GLN A 152 59.135 -78.293 17.141 1.00 12.05 C -ATOM 1188 CD GLN A 152 58.640 -77.419 16.014 1.00 14.08 C -ATOM 1189 OE1 GLN A 152 57.880 -76.468 16.225 1.00 17.88 O -ATOM 1190 NE2 GLN A 152 59.085 -77.662 14.805 1.00 16.47 N -ATOM 1191 C GLN A 152 57.051 -80.500 17.578 1.00 7.06 C -ATOM 1192 O GLN A 152 57.057 -80.753 16.374 1.00 7.23 O -ATOM 1193 N ASP A 153 57.219 -81.430 18.510 1.00 6.49 N -ATOM 1194 CA ASP A 153 57.402 -82.853 18.165 1.00 6.51 C -ATOM 1195 CB ASP A 153 57.644 -83.688 19.406 1.00 6.76 C -ATOM 1196 CG ASP A 153 58.944 -83.397 20.106 1.00 8.01 C -ATOM 1197 OD1 ASP A 153 60.013 -83.374 19.427 1.00 9.41 O -ATOM 1198 OD2 ASP A 153 58.935 -83.288 21.356 1.00 8.51 O -ATOM 1199 C ASP A 153 56.162 -83.336 17.425 1.00 6.36 C -ATOM 1200 O ASP A 153 56.271 -84.022 16.403 1.00 7.08 O -ATOM 1201 N LEU A 154 54.978 -83.017 17.931 1.00 6.15 N -ATOM 1202 CA LEU A 154 53.732 -83.418 17.265 1.00 6.94 C -ATOM 1203 CB LEU A 154 52.548 -83.075 18.156 1.00 6.41 C -ATOM 1204 CG LEU A 154 51.208 -83.492 17.568 1.00 6.44 C -ATOM 1205 CD1 LEU A 154 51.101 -84.998 17.338 1.00 7.31 C -ATOM 1206 CD2 LEU A 154 50.103 -83.042 18.511 1.00 6.89 C -ATOM 1207 C LEU A 154 53.608 -82.780 15.880 1.00 6.72 C -ATOM 1208 O LEU A 154 53.201 -83.476 14.947 1.00 7.31 O -ATOM 1209 N ALA A 155 53.869 -81.493 15.800 1.00 6.13 N -ATOM 1210 CA ALA A 155 53.710 -80.748 14.529 1.00 6.60 C -ATOM 1211 CB ALA A 155 54.079 -79.294 14.813 1.00 6.84 C -ATOM 1212 C ALA A 155 54.618 -81.360 13.468 1.00 7.20 C -ATOM 1213 O ALA A 155 54.177 -81.613 12.332 1.00 6.87 O -ATOM 1214 N THR A 156 55.840 -81.648 13.829 1.00 7.26 N -ATOM 1215 CA THR A 156 56.758 -82.216 12.840 1.00 8.06 C -ATOM 1216 CB THR A 156 58.195 -82.099 13.299 1.00 9.91 C -ATOM 1217 OG1 THR A 156 58.287 -82.707 14.574 1.00 12.79 O -ATOM 1218 CG2 THR A 156 58.676 -80.672 13.315 1.00 10.48 C -ATOM 1219 C THR A 156 56.348 -83.643 12.493 1.00 8.03 C -ATOM 1220 O THR A 156 56.442 -84.015 11.316 1.00 8.03 O -ATOM 1221 N HIS A 157 55.799 -84.376 13.447 1.00 7.49 N -ATOM 1222 CA HIS A 157 55.286 -85.745 13.171 1.00 7.89 C -ATOM 1223 CB HIS A 157 54.730 -86.334 14.476 1.00 8.06 C -ATOM 1224 CG HIS A 157 54.223 -87.726 14.272 1.00 9.52 C -ATOM 1225 ND1 HIS A 157 55.100 -88.791 14.101 1.00 11.57 N -ATOM 1226 CE1 HIS A 157 54.404 -89.905 13.967 1.00 13.07 C -ATOM 1227 NE2 HIS A 157 53.114 -89.597 14.014 1.00 12.71 N -ATOM 1228 CD2 HIS A 157 52.977 -88.245 14.212 1.00 11.17 C -ATOM 1229 C HIS A 157 54.229 -85.712 12.057 1.00 8.61 C -ATOM 1230 O HIS A 157 54.195 -86.642 11.248 1.00 8.81 O -ATOM 1231 N ILE A 158 53.370 -84.685 12.044 1.00 9.00 N -ATOM 1232 CA ILE A 158 52.284 -84.615 11.028 1.00 8.49 C -ATOM 1233 CB ILE A 158 50.930 -84.214 11.655 1.00 8.58 C -ATOM 1234 CG1 ILE A 158 50.895 -82.777 12.166 1.00 7.99 C -ATOM 1235 CG2 ILE A 158 50.541 -85.180 12.751 1.00 9.27 C -ATOM 1236 CD1 ILE A 158 49.527 -82.328 12.399 1.00 7.85 C -ATOM 1237 C ILE A 158 52.640 -83.646 9.892 1.00 8.30 C -ATOM 1238 O ILE A 158 51.806 -83.478 8.995 1.00 9.33 O -ATOM 1239 N GLY A 159 53.841 -83.076 9.837 1.00 8.10 N -ATOM 1240 CA GLY A 159 54.194 -82.167 8.718 1.00 8.55 C -ATOM 1241 C GLY A 159 53.508 -80.817 8.746 1.00 8.12 C -ATOM 1242 O GLY A 159 53.141 -80.316 7.690 1.00 8.53 O -ATOM 1243 N SER A 160 53.233 -80.306 9.924 1.00 7.49 N -ATOM 1244 CA SER A 160 52.532 -79.027 10.149 1.00 7.36 C -ATOM 1245 CB SER A 160 51.333 -79.308 11.020 1.00 7.12 C -ATOM 1246 OG SER A 160 50.555 -78.142 11.262 1.00 7.29 O -ATOM 1247 C SER A 160 53.476 -78.059 10.827 1.00 7.00 C -ATOM 1248 O SER A 160 54.312 -78.479 11.650 1.00 7.52 O -ATOM 1249 N GLY A 161 53.236 -76.783 10.671 1.00 7.15 N -ATOM 1250 CA GLY A 161 53.713 -75.793 11.634 1.00 7.99 C -ATOM 1251 C GLY A 161 53.002 -76.027 12.945 1.00 6.66 C -ATOM 1252 O GLY A 161 51.795 -76.441 12.984 1.00 7.23 O -ATOM 1253 N ALA A 162 53.640 -75.761 14.060 1.00 7.41 N -ATOM 1254 CA ALA A 162 52.975 -75.923 15.361 1.00 7.24 C -ATOM 1255 CB ALA A 162 53.955 -75.729 16.484 1.00 7.47 C -ATOM 1256 C ALA A 162 51.761 -74.992 15.439 1.00 6.31 C -ATOM 1257 O ALA A 162 50.807 -75.378 16.105 1.00 6.69 O -ATOM 1258 N GLY A 163 51.825 -73.795 14.861 1.00 6.47 N -ATOM 1259 CA GLY A 163 50.695 -72.845 14.871 1.00 6.63 C -ATOM 1260 C GLY A 163 49.533 -73.301 14.007 1.00 5.90 C -ATOM 1261 O GLY A 163 48.525 -72.579 13.950 1.00 5.41 O -ATOM 1262 N ALA A 164 49.639 -74.437 13.294 1.00 6.07 N -ATOM 1263 CA ALA A 164 48.538 -74.977 12.459 1.00 6.52 C -ATOM 1264 CB ALA A 164 48.929 -74.971 11.002 1.00 7.35 C -ATOM 1265 C ALA A 164 48.111 -76.352 12.967 1.00 6.22 C -ATOM 1266 O ALA A 164 47.378 -77.051 12.265 1.00 6.24 O -ATOM 1267 N LEU A 165 48.520 -76.736 14.173 1.00 5.61 N -ATOM 1268 CA LEU A 165 48.083 -78.034 14.749 1.00 5.78 C -ATOM 1269 CB LEU A 165 48.653 -78.206 16.158 1.00 6.15 C -ATOM 1270 CG LEU A 165 50.103 -78.677 16.230 1.00 6.56 C -ATOM 1271 CD1 LEU A 165 50.643 -78.511 17.621 1.00 7.59 C -ATOM 1272 CD2 LEU A 165 50.256 -80.120 15.745 1.00 6.94 C -ATOM 1273 C LEU A 165 46.571 -78.097 14.815 1.00 5.70 C -ATOM 1274 O LEU A 165 45.978 -79.186 14.602 1.00 5.83 O -ATOM 1275 N GLN A 166 45.930 -77.004 15.179 1.00 4.98 N -ATOM 1276 CA GLN A 166 44.463 -77.012 15.464 1.00 5.18 C -ATOM 1277 CB GLN A 166 43.972 -75.555 15.532 1.00 5.37 C -ATOM 1278 CG GLN A 166 42.477 -75.485 15.819 1.00 5.43 C -ATOM 1279 CD GLN A 166 41.964 -74.070 15.901 1.00 5.49 C -ATOM 1280 OE1 GLN A 166 42.349 -73.202 15.141 1.00 6.14 O -ATOM 1281 NE2 GLN A 166 41.026 -73.854 16.814 1.00 5.55 N -ATOM 1282 C GLN A 166 43.714 -77.777 14.370 1.00 5.09 C -ATOM 1283 O GLN A 166 42.950 -78.688 14.690 1.00 5.71 O -ATOM 1284 N GLY A 167 43.861 -77.334 13.131 1.00 5.34 N -ATOM 1285 CA GLY A 167 43.151 -77.915 11.984 1.00 5.83 C -ATOM 1286 C GLY A 167 43.946 -78.999 11.294 1.00 5.77 C -ATOM 1287 O GLY A 167 43.346 -79.907 10.731 1.00 6.44 O -ATOM 1288 N ASN A 168 45.268 -78.931 11.288 1.00 6.08 N -ATOM 1289 CA ASN A 168 46.008 -79.978 10.533 1.00 6.12 C -ATOM 1290 CB ASN A 168 47.441 -79.528 10.252 1.00 6.63 C -ATOM 1291 CG ASN A 168 47.555 -78.476 9.176 1.00 6.94 C -ATOM 1292 OD1 ASN A 168 46.655 -78.320 8.341 1.00 8.96 O -ATOM 1293 ND2 ASN A 168 48.614 -77.726 9.140 1.00 6.92 N -ATOM 1294 C ASN A 168 46.017 -81.322 11.247 1.00 6.03 C -ATOM 1295 O ASN A 168 46.221 -82.328 10.577 1.00 6.88 O -ATOM 1296 N LEU A 169 45.707 -81.382 12.527 1.00 6.38 N -ATOM 1297 CA LEU A 169 45.585 -82.677 13.227 1.00 6.40 C -ATOM 1298 CB LEU A 169 45.481 -82.488 14.737 1.00 6.13 C -ATOM 1299 CG LEU A 169 46.800 -82.272 15.446 1.00 6.09 C -ATOM 1300 CD1 LEU A 169 46.588 -81.724 16.829 1.00 6.66 C -ATOM 1301 CD2 LEU A 169 47.612 -83.564 15.478 1.00 6.72 C -ATOM 1302 C LEU A 169 44.386 -83.456 12.715 1.00 6.98 C -ATOM 1303 O LEU A 169 44.370 -84.674 12.943 1.00 6.99 O -ATOM 1304 N LYS A 170 43.354 -82.812 12.193 1.00 6.95 N -ATOM 1305 CA LYS A 170 42.165 -83.564 11.776 1.00 8.44 C -ATOM 1306 CB LYS A 170 41.173 -82.555 11.204 1.00 8.75 C -ATOM 1307 CG LYS A 170 39.791 -83.129 10.885 1.00 10.30 C -ATOM 1308 CD LYS A 170 38.887 -82.160 10.159 1.00 12.40 C -ATOM 1309 CE LYS A 170 39.372 -81.966 8.743 1.00 12.91 C -ATOM 1310 NZ LYS A 170 38.374 -81.404 7.836 1.00 15.52 N -ATOM 1311 C LYS A 170 42.531 -84.626 10.733 1.00 9.11 C -ATOM 1312 O LYS A 170 43.146 -84.319 9.763 1.00 10.23 O -ATOM 1313 N GLY A 171 42.126 -85.851 11.012 1.00 11.43 N -ATOM 1314 CA GLY A 171 42.406 -87.002 10.145 1.00 12.14 C -ATOM 1315 C GLY A 171 43.804 -87.541 10.342 1.00 12.56 C -ATOM 1316 O GLY A 171 44.182 -88.457 9.539 1.00 18.35 O -ATOM 1317 N LYS A 172 44.543 -87.109 11.377 1.00 11.24 N -ATOM 1318 CA LYS A 172 45.931 -87.595 11.532 1.00 10.66 C -ATOM 1319 CB LYS A 172 46.892 -86.446 11.358 1.00 11.76 C -ATOM 1320 CG LYS A 172 46.645 -85.802 9.997 1.00 13.31 C -ATOM 1321 CD LYS A 172 47.772 -84.996 9.556 1.00 14.04 C -ATOM 1322 CE LYS A 172 47.676 -84.386 8.184 1.00 15.08 C -ATOM 1323 NZ LYS A 172 46.514 -83.509 8.051 1.00 14.45 N -ATOM 1324 C LYS A 172 46.102 -88.344 12.837 1.00 10.08 C -ATOM 1325 O LYS A 172 45.361 -88.149 13.845 1.00 10.54 O -ATOM 1326 N SER A 173 47.133 -89.162 12.858 1.00 8.93 N -ATOM 1327 CA SER A 173 47.483 -89.976 14.033 1.00 9.21 C -ATOM 1328 CB SER A 173 47.890 -91.353 13.620 1.00 9.56 C -ATOM 1329 OG SER A 173 46.814 -92.030 13.057 1.00 10.03 O -ATOM 1330 C SER A 173 48.651 -89.330 14.763 1.00 8.65 C -ATOM 1331 O SER A 173 49.641 -88.945 14.142 1.00 9.35 O -ATOM 1332 N TRP A 174 48.533 -89.235 16.086 1.00 7.84 N -ATOM 1333 CA TRP A 174 49.699 -89.005 16.942 1.00 7.80 C -ATOM 1334 CB TRP A 174 49.225 -88.795 18.380 1.00 7.44 C -ATOM 1335 CG TRP A 174 48.458 -87.532 18.640 1.00 8.14 C -ATOM 1336 CD1 TRP A 174 47.413 -87.014 17.922 1.00 8.07 C -ATOM 1337 NE1 TRP A 174 46.974 -85.854 18.513 1.00 8.15 N -ATOM 1338 CE2 TRP A 174 47.742 -85.581 19.600 1.00 7.71 C -ATOM 1339 CD2 TRP A 174 48.692 -86.629 19.734 1.00 8.13 C -ATOM 1340 CE3 TRP A 174 49.617 -86.537 20.778 1.00 9.02 C -ATOM 1341 CZ3 TRP A 174 49.571 -85.445 21.631 1.00 9.14 C -ATOM 1342 CH2 TRP A 174 48.600 -84.440 21.469 1.00 9.33 C -ATOM 1343 CZ2 TRP A 174 47.685 -84.483 20.458 1.00 8.47 C -ATOM 1344 C TRP A 174 50.604 -90.228 16.885 1.00 7.60 C -ATOM 1345 O TRP A 174 50.193 -91.308 16.473 1.00 8.04 O -ATOM 1346 N PRO A 175 51.842 -90.090 17.371 1.00 7.58 N -ATOM 1347 CA PRO A 175 52.691 -91.260 17.614 1.00 7.77 C -ATOM 1348 CB PRO A 175 53.968 -90.691 18.256 1.00 7.63 C -ATOM 1349 CG PRO A 175 53.996 -89.220 17.770 1.00 7.61 C -ATOM 1350 CD PRO A 175 52.514 -88.842 17.794 1.00 7.82 C -ATOM 1351 C PRO A 175 51.968 -92.257 18.510 1.00 7.67 C -ATOM 1352 O PRO A 175 51.123 -91.904 19.299 1.00 7.26 O -ATOM 1353 N THR A 176 52.343 -93.518 18.331 1.00 7.25 N -ATOM 1354 CA THR A 176 51.746 -94.593 19.144 1.00 7.99 C -ATOM 1355 CB THR A 176 52.020 -95.975 18.550 1.00 8.13 C -ATOM 1356 OG1 THR A 176 53.420 -96.181 18.649 1.00 9.33 O -ATOM 1357 CG2 THR A 176 51.525 -96.105 17.120 1.00 8.22 C -ATOM 1358 C THR A 176 52.317 -94.540 20.552 1.00 7.79 C -ATOM 1359 O THR A 176 53.341 -93.920 20.802 1.00 7.88 O -ATOM 1360 N ALA A 177 51.657 -95.215 21.480 1.00 7.73 N -ATOM 1361 CA ALA A 177 52.193 -95.333 22.840 1.00 8.54 C -ATOM 1362 CB ALA A 177 51.239 -96.097 23.692 1.00 8.47 C -ATOM 1363 C ALA A 177 53.573 -95.995 22.792 1.00 8.25 C -ATOM 1364 O ALA A 177 54.428 -95.592 23.561 1.00 8.42 O -ATOM 1365 N ASN A 178 53.804 -96.968 21.875 1.00 9.03 N -ATOM 1366 CA ASN A 178 55.150 -97.571 21.724 1.00 9.92 C -ATOM 1367 CB ASN A 178 55.167 -98.707 20.691 1.00 11.59 C -ATOM 1368 CG ASN A 178 56.527 -99.356 20.546 1.00 15.85 C -ATOM 1369 OD1 ASN A 178 57.130 -99.764 21.529 1.00 21.44 O -ATOM 1370 ND2 ASN A 178 56.965 -99.493 19.308 1.00 20.68 N -ATOM 1371 C ASN A 178 56.151 -96.483 21.340 1.00 9.37 C -ATOM 1372 O ASN A 178 57.243 -96.425 21.902 1.00 9.13 O -ATOM 1373 N ASP A 179 55.790 -95.667 20.343 1.00 9.51 N -ATOM 1374 CA ASP A 179 56.657 -94.562 19.898 1.00 9.84 C -ATOM 1375 CB ASP A 179 55.960 -93.690 18.854 1.00 9.89 C -ATOM 1376 CG ASP A 179 55.756 -94.332 17.499 1.00 10.07 C -ATOM 1377 OD1 ASP A 179 56.574 -95.236 17.164 1.00 12.63 O -ATOM 1378 OD2 ASP A 179 54.779 -93.972 16.826 1.00 10.68 O -ATOM 1379 C ASP A 179 56.974 -93.631 21.064 1.00 9.08 C -ATOM 1380 O ASP A 179 58.098 -93.089 21.154 1.00 10.40 O -ATOM 1381 N LEU A 180 56.023 -93.463 21.988 1.00 9.05 N -ATOM 1382 CA LEU A 180 56.136 -92.495 23.107 1.00 8.96 C -ATOM 1383 CB LEU A 180 54.776 -91.827 23.273 1.00 9.16 C -ATOM 1384 CG LEU A 180 54.317 -90.957 22.104 1.00 9.32 C -ATOM 1385 CD1 LEU A 180 52.937 -90.422 22.425 1.00 9.87 C -ATOM 1386 CD2 LEU A 180 55.279 -89.811 21.821 1.00 10.02 C -ATOM 1387 C LEU A 180 56.588 -93.184 24.394 1.00 8.66 C -ATOM 1388 O LEU A 180 56.483 -92.575 25.470 1.00 8.09 O -ATOM 1389 N GLN A 181 57.162 -94.402 24.312 1.00 8.90 N -ATOM 1390 CA GLN A 181 57.617 -95.061 25.544 1.00 10.61 C -ATOM 1391 CB GLN A 181 58.224 -96.444 25.263 1.00 12.97 C -ATOM 1392 CG GLN A 181 59.438 -96.500 24.363 1.00 16.75 C -ATOM 1393 CD GLN A 181 59.923 -97.927 24.255 1.00 23.61 C -ATOM 1394 OE1 GLN A 181 59.146 -98.886 24.193 1.00 28.11 O -ATOM 1395 NE2 GLN A 181 61.233 -98.082 24.288 1.00 27.93 N -ATOM 1396 C GLN A 181 58.628 -94.159 26.244 1.00 8.93 C -ATOM 1397 O GLN A 181 59.456 -93.550 25.593 1.00 8.75 O -ATOM 1398 N GLY A 182 58.491 -94.056 27.553 1.00 8.51 N -ATOM 1399 CA GLY A 182 59.430 -93.262 28.364 1.00 8.83 C -ATOM 1400 C GLY A 182 59.196 -91.766 28.262 1.00 8.26 C -ATOM 1401 O GLY A 182 60.015 -91.005 28.802 1.00 9.80 O -ATOM 1402 N LYS A 183 58.122 -91.319 27.617 1.00 8.26 N -ATOM 1403 CA LYS A 183 57.939 -89.864 27.407 1.00 7.67 C -ATOM 1404 CB LYS A 183 57.406 -89.545 26.004 1.00 7.79 C -ATOM 1405 CG LYS A 183 58.386 -89.909 24.873 1.00 8.93 C -ATOM 1406 CD LYS A 183 59.679 -89.148 24.925 1.00 9.86 C -ATOM 1407 CE LYS A 183 60.761 -89.658 23.997 1.00 10.42 C -ATOM 1408 NZ LYS A 183 62.002 -88.866 24.081 1.00 10.65 N -ATOM 1409 C LYS A 183 56.995 -89.302 28.465 1.00 7.54 C -ATOM 1410 O LYS A 183 56.181 -90.001 29.090 1.00 7.70 O -ATOM 1411 N VAL A 184 57.112 -87.976 28.584 1.00 7.70 N -ATOM 1412 CA VAL A 184 56.213 -87.141 29.429 1.00 7.38 C -ATOM 1413 CB VAL A 184 57.003 -86.534 30.599 1.00 8.52 C -ATOM 1414 CG1 VAL A 184 56.142 -85.574 31.383 1.00 8.88 C -ATOM 1415 CG2 VAL A 184 57.520 -87.650 31.506 1.00 8.54 C -ATOM 1416 C VAL A 184 55.588 -86.061 28.543 1.00 7.20 C -ATOM 1417 O VAL A 184 56.302 -85.383 27.794 1.00 7.10 O -ATOM 1418 N LEU A 185 54.276 -85.923 28.607 1.00 6.54 N -ATOM 1419 CA LEU A 185 53.528 -84.846 27.914 1.00 6.81 C -ATOM 1420 CB LEU A 185 52.361 -85.425 27.113 1.00 7.35 C -ATOM 1421 CG LEU A 185 52.691 -86.156 25.814 1.00 7.70 C -ATOM 1422 CD1 LEU A 185 53.426 -87.445 26.052 1.00 8.39 C -ATOM 1423 CD2 LEU A 185 51.428 -86.333 24.983 1.00 9.05 C -ATOM 1424 C LEU A 185 52.983 -83.922 28.983 1.00 6.33 C -ATOM 1425 O LEU A 185 52.328 -84.382 29.909 1.00 8.31 O -ATOM 1426 N LEU A 186 53.163 -82.636 28.790 1.00 6.53 N -ATOM 1427 CA LEU A 186 52.736 -81.621 29.745 1.00 6.64 C -ATOM 1428 CB LEU A 186 53.877 -80.664 30.037 1.00 6.81 C -ATOM 1429 CG LEU A 186 55.149 -81.301 30.587 1.00 7.81 C -ATOM 1430 CD1 LEU A 186 56.225 -80.257 30.722 1.00 8.92 C -ATOM 1431 CD2 LEU A 186 54.884 -82.076 31.867 1.00 8.89 C -ATOM 1432 C LEU A 186 51.568 -80.851 29.160 1.00 6.16 C -ATOM 1433 O LEU A 186 51.618 -80.475 27.944 1.00 6.45 O -ATOM 1434 N VAL A 187 50.571 -80.597 29.983 1.00 6.31 N -ATOM 1435 CA VAL A 187 49.323 -79.959 29.503 1.00 5.99 C -ATOM 1436 CB VAL A 187 48.185 -80.962 29.519 1.00 6.45 C -ATOM 1437 CG1 VAL A 187 46.943 -80.328 28.934 1.00 6.73 C -ATOM 1438 CG2 VAL A 187 48.514 -82.264 28.804 1.00 6.87 C -ATOM 1439 C VAL A 187 49.001 -78.774 30.392 1.00 6.44 C -ATOM 1440 O VAL A 187 49.059 -78.894 31.626 1.00 7.61 O -ATOM 1441 N LEU A 188 48.656 -77.643 29.798 1.00 6.12 N -ATOM 1442 CA LEU A 188 48.299 -76.423 30.560 1.00 5.77 C -ATOM 1443 CB LEU A 188 48.931 -75.175 29.942 1.00 6.20 C -ATOM 1444 CG LEU A 188 48.802 -73.876 30.730 1.00 6.30 C -ATOM 1445 CD1 LEU A 188 49.502 -73.965 32.070 1.00 7.20 C -ATOM 1446 CD2 LEU A 188 49.292 -72.679 29.932 1.00 6.16 C -ATOM 1447 C LEU A 188 46.795 -76.269 30.606 1.00 5.70 C -ATOM 1448 O LEU A 188 46.146 -76.259 29.564 1.00 5.49 O -ATOM 1449 N ASN A 189 46.277 -76.120 31.805 1.00 5.91 N -ATOM 1450 CA ASN A 189 44.882 -75.730 32.044 1.00 6.16 C -ATOM 1451 CB ASN A 189 44.058 -76.796 32.782 1.00 6.45 C -ATOM 1452 CG ASN A 189 43.820 -78.093 32.017 1.00 6.45 C -ATOM 1453 OD1 ASN A 189 44.036 -78.247 30.798 1.00 9.36 O -ATOM 1454 ND2 ASN A 189 43.290 -79.053 32.707 1.00 6.27 N -ATOM 1455 C ASN A 189 44.864 -74.449 32.873 1.00 6.19 C -ATOM 1456 O ASN A 189 45.853 -74.112 33.572 1.00 6.03 O -ATOM 1457 N HIS A 190 43.743 -73.766 32.801 1.00 6.48 N -ATOM 1458 CA HIS A 190 43.450 -72.578 33.628 1.00 6.47 C -ATOM 1459 CB HIS A 190 44.252 -71.371 33.122 1.00 6.42 C -ATOM 1460 CG HIS A 190 44.278 -70.183 34.037 1.00 6.08 C -ATOM 1461 ND1 HIS A 190 43.176 -69.351 34.179 1.00 6.94 N -ATOM 1462 CE1 HIS A 190 43.482 -68.425 35.053 1.00 7.33 C -ATOM 1463 NE2 HIS A 190 44.724 -68.601 35.513 1.00 7.84 N -ATOM 1464 CD2 HIS A 190 45.222 -69.707 34.904 1.00 7.34 C -ATOM 1465 C HIS A 190 41.943 -72.352 33.544 1.00 7.29 C -ATOM 1466 O HIS A 190 41.309 -72.738 32.568 1.00 7.38 O -ATOM 1467 N SER A 191 41.346 -71.691 34.530 1.00 7.33 N -ATOM 1468 CA SER A 191 39.924 -71.321 34.438 1.00 7.90 C -ATOM 1469 CB SER A 191 39.417 -70.766 35.727 1.00 10.37 C -ATOM 1470 OG SER A 191 40.017 -69.523 36.036 1.00 14.57 O -ATOM 1471 C SER A 191 39.709 -70.360 33.269 1.00 7.36 C -ATOM 1472 O SER A 191 38.535 -70.300 32.810 1.00 8.46 O -ATOM 1473 N GLU A 192 40.704 -69.553 32.909 1.00 6.39 N -ATOM 1474 CA GLU A 192 40.570 -68.536 31.837 1.00 7.06 C -ATOM 1475 CB GLU A 192 41.028 -67.200 32.395 1.00 8.04 C -ATOM 1476 CG GLU A 192 40.260 -66.698 33.602 1.00 10.05 C -ATOM 1477 CD GLU A 192 40.931 -65.511 34.291 1.00 13.45 C -ATOM 1478 OE1 GLU A 192 41.706 -64.797 33.621 1.00 16.70 O -ATOM 1479 OE2 GLU A 192 40.704 -65.326 35.505 1.00 20.53 O -ATOM 1480 C GLU A 192 41.422 -68.926 30.636 1.00 6.42 C -ATOM 1481 O GLU A 192 42.651 -68.966 30.751 1.00 6.16 O -ATOM 1482 N ASN A 193 40.770 -69.095 29.497 1.00 5.49 N -ATOM 1483 CA ASN A 193 41.545 -69.377 28.271 1.00 5.52 C -ATOM 1484 CB ASN A 193 40.570 -69.635 27.125 1.00 5.71 C -ATOM 1485 CG ASN A 193 39.846 -70.953 27.244 1.00 5.40 C -ATOM 1486 OD1 ASN A 193 40.209 -71.809 28.019 1.00 6.35 O -ATOM 1487 ND2 ASN A 193 38.804 -71.147 26.438 1.00 5.76 N -ATOM 1488 C ASN A 193 42.524 -68.259 27.949 1.00 5.23 C -ATOM 1489 O ASN A 193 43.505 -68.541 27.285 1.00 5.08 O -ATOM 1490 N GLN A 194 42.250 -67.050 28.424 1.00 5.30 N -ATOM 1491 CA GLN A 194 43.191 -65.936 28.184 1.00 5.67 C -ATOM 1492 CB GLN A 194 42.668 -64.719 28.973 1.00 6.49 C -ATOM 1493 CG GLN A 194 41.424 -64.035 28.392 1.00 8.40 C -ATOM 1494 CD GLN A 194 40.092 -64.658 28.756 1.00 8.93 C -ATOM 1495 OE1 GLN A 194 39.974 -65.726 29.380 1.00 9.25 O -ATOM 1496 NE2 GLN A 194 39.025 -64.075 28.235 1.00 10.57 N -ATOM 1497 C GLN A 194 44.613 -66.310 28.656 1.00 5.25 C -ATOM 1498 O GLN A 194 45.582 -65.916 28.022 1.00 5.25 O -ATOM 1499 N LYS A 195 44.749 -67.041 29.768 1.00 5.44 N -ATOM 1500 CA LYS A 195 46.111 -67.395 30.253 1.00 5.49 C -ATOM 1501 CB LYS A 195 46.079 -67.923 31.688 1.00 6.42 C -ATOM 1502 CG LYS A 195 46.032 -66.878 32.809 1.00 8.81 C -ATOM 1503 CD LYS A 195 45.075 -65.727 32.708 1.00 8.68 C -ATOM 1504 CE LYS A 195 45.229 -64.801 33.900 1.00 8.99 C -ATOM 1505 NZ LYS A 195 44.155 -63.793 33.993 1.00 10.71 N -ATOM 1506 C LYS A 195 46.791 -68.386 29.316 1.00 5.32 C -ATOM 1507 O LYS A 195 48.038 -68.358 29.188 1.00 5.49 O -ATOM 1508 N LEU A 196 46.022 -69.267 28.679 1.00 5.17 N -ATOM 1509 CA LEU A 196 46.595 -70.198 27.688 1.00 5.33 C -ATOM 1510 CB LEU A 196 45.583 -71.292 27.336 1.00 5.41 C -ATOM 1511 CG LEU A 196 45.560 -72.476 28.304 1.00 6.02 C -ATOM 1512 CD1 LEU A 196 45.380 -72.095 29.767 1.00 6.72 C -ATOM 1513 CD2 LEU A 196 44.477 -73.439 27.860 1.00 6.77 C -ATOM 1514 C LEU A 196 46.976 -69.390 26.453 1.00 5.07 C -ATOM 1515 O LEU A 196 48.005 -69.688 25.794 1.00 5.53 O -ATOM 1516 N SER A 197 46.178 -68.396 26.099 1.00 5.10 N -ATOM 1517 CA SER A 197 46.430 -67.577 24.893 1.00 5.13 C -ATOM 1518 CB SER A 197 45.299 -66.633 24.595 1.00 5.07 C -ATOM 1519 OG SER A 197 45.417 -66.093 23.323 1.00 5.24 O -ATOM 1520 C SER A 197 47.730 -66.813 25.123 1.00 5.40 C -ATOM 1521 O SER A 197 48.573 -66.699 24.197 1.00 6.00 O -ATOM 1522 N GLN A 198 47.934 -66.321 26.338 1.00 5.32 N -ATOM 1523 CA GLN A 198 49.168 -65.595 26.696 1.00 5.68 C -ATOM 1524 CB GLN A 198 48.999 -65.036 28.097 1.00 5.71 C -ATOM 1525 CG GLN A 198 48.085 -63.825 28.110 1.00 7.16 C -ATOM 1526 CD GLN A 198 47.600 -63.576 29.513 1.00 8.84 C -ATOM 1527 OE1 GLN A 198 47.956 -64.211 30.506 1.00 11.50 O -ATOM 1528 NE2 GLN A 198 46.667 -62.659 29.636 1.00 12.42 N -ATOM 1529 C GLN A 198 50.360 -66.534 26.603 1.00 5.55 C -ATOM 1530 O GLN A 198 51.417 -66.116 26.070 1.00 6.40 O -ATOM 1531 N TYR A 199 50.230 -67.744 27.109 1.00 5.48 N -ATOM 1532 CA TYR A 199 51.317 -68.723 27.039 1.00 5.59 C -ATOM 1533 CB TYR A 199 50.947 -70.005 27.764 1.00 5.79 C -ATOM 1534 CG TYR A 199 51.956 -71.094 27.623 1.00 5.80 C -ATOM 1535 CD1 TYR A 199 53.077 -71.151 28.414 1.00 5.95 C -ATOM 1536 CE1 TYR A 199 54.024 -72.135 28.248 1.00 5.86 C -ATOM 1537 CZ TYR A 199 53.867 -73.068 27.262 1.00 6.05 C -ATOM 1538 OH TYR A 199 54.835 -74.001 26.993 1.00 6.54 O -ATOM 1539 CE2 TYR A 199 52.769 -73.019 26.424 1.00 6.38 C -ATOM 1540 CD2 TYR A 199 51.808 -72.043 26.617 1.00 5.76 C -ATOM 1541 C TYR A 199 51.695 -68.960 25.576 1.00 5.18 C -ATOM 1542 O TYR A 199 52.890 -68.944 25.220 1.00 5.60 O -ATOM 1543 N ALA A 200 50.723 -69.261 24.728 1.00 5.28 N -ATOM 1544 CA ALA A 200 50.994 -69.618 23.330 1.00 5.58 C -ATOM 1545 CB ALA A 200 49.756 -70.172 22.674 1.00 5.72 C -ATOM 1546 C ALA A 200 51.556 -68.423 22.589 1.00 5.42 C -ATOM 1547 O ALA A 200 52.479 -68.604 21.745 1.00 5.67 O -ATOM 1548 N GLU A 201 51.056 -67.232 22.844 1.00 5.24 N -ATOM 1549 CA GLU A 201 51.606 -66.049 22.160 1.00 5.78 C -ATOM 1550 CB GLU A 201 50.782 -64.820 22.520 1.00 6.77 C -ATOM 1551 CG GLU A 201 51.339 -63.563 21.862 1.00 8.06 C -ATOM 1552 CD GLU A 201 50.485 -62.313 21.979 1.00 8.09 C -ATOM 1553 OE1 GLU A 201 49.377 -62.403 22.573 1.00 10.50 O -ATOM 1554 OE2 GLU A 201 50.895 -61.241 21.483 1.00 9.09 O -ATOM 1555 C GLU A 201 53.078 -65.860 22.545 1.00 5.64 C -ATOM 1556 O GLU A 201 53.910 -65.453 21.684 1.00 6.05 O -ATOM 1557 N ALA A 202 53.419 -66.121 23.797 1.00 5.55 N -ATOM 1558 CA ALA A 202 54.809 -65.933 24.258 1.00 6.25 C -ATOM 1559 CB ALA A 202 54.853 -65.911 25.760 1.00 6.77 C -ATOM 1560 C ALA A 202 55.721 -67.014 23.674 1.00 6.74 C -ATOM 1561 O ALA A 202 56.870 -66.709 23.327 1.00 7.36 O -ATOM 1562 N ARG A 203 55.287 -68.266 23.616 1.00 5.94 N -ATOM 1563 CA ARG A 203 56.232 -69.369 23.376 1.00 6.67 C -ATOM 1564 CB ARG A 203 56.004 -70.546 24.327 1.00 7.69 C -ATOM 1565 CG ARG A 203 57.280 -71.084 25.006 1.00 13.46 C -ATOM 1566 CD ARG A 203 58.438 -70.301 25.687 1.00 11.90 C -ATOM 1567 NE ARG A 203 59.417 -71.292 26.005 1.00 22.00 N -ATOM 1568 CZ ARG A 203 60.576 -71.373 25.409 1.00 20.82 C -ATOM 1569 NH1 ARG A 203 60.889 -70.448 24.534 1.00 17.15 N -ATOM 1570 NH2 ARG A 203 61.446 -72.306 25.749 1.00 24.66 N -ATOM 1571 C ARG A 203 56.126 -69.871 21.944 1.00 6.46 C -ATOM 1572 O ARG A 203 57.082 -70.539 21.503 1.00 7.22 O -ATOM 1573 N THR A 204 54.996 -69.656 21.270 1.00 7.04 N -ATOM 1574 CA THR A 204 54.727 -70.168 19.924 1.00 7.34 C -ATOM 1575 CB THR A 204 55.135 -69.120 18.883 1.00 7.73 C -ATOM 1576 OG1 THR A 204 56.541 -68.884 18.945 1.00 9.05 O -ATOM 1577 CG2 THR A 204 54.407 -67.816 19.079 1.00 8.83 C -ATOM 1578 C THR A 204 55.304 -71.571 19.745 1.00 6.96 C -ATOM 1579 O THR A 204 54.960 -72.435 20.518 1.00 7.14 O -ATOM 1580 N SER A 205 56.083 -71.798 18.695 1.00 7.47 N -ATOM 1581 CA SER A 205 56.461 -73.166 18.300 1.00 8.96 C -ATOM 1582 CB SER A 205 57.049 -73.193 16.918 1.00 10.64 C -ATOM 1583 OG SER A 205 56.092 -72.823 15.949 1.00 13.95 O -ATOM 1584 C SER A 205 57.439 -73.738 19.304 1.00 8.56 C -ATOM 1585 O SER A 205 57.705 -74.966 19.216 1.00 9.37 O -ATOM 1586 N LYS A 206 58.040 -72.918 20.167 1.00 8.14 N -ATOM 1587 CA LYS A 206 59.019 -73.437 21.137 1.00 8.60 C -ATOM 1588 CB LYS A 206 59.944 -72.294 21.543 1.00 9.88 C -ATOM 1589 CG LYS A 206 60.708 -71.683 20.381 1.00 12.62 C -ATOM 1590 CD LYS A 206 61.565 -70.523 20.808 1.00 16.63 C -ATOM 1591 CE LYS A 206 61.875 -69.575 19.673 1.00 22.72 C -ATOM 1592 NZ LYS A 206 62.805 -70.235 18.730 1.00 27.59 N -ATOM 1593 C LYS A 206 58.344 -73.971 22.400 1.00 8.10 C -ATOM 1594 O LYS A 206 59.042 -74.568 23.248 1.00 8.05 O -ATOM 1595 N ALA A 207 57.035 -73.831 22.528 1.00 6.84 N -ATOM 1596 CA ALA A 207 56.335 -74.238 23.754 1.00 7.19 C -ATOM 1597 CB ALA A 207 54.856 -74.212 23.552 1.00 7.50 C -ATOM 1598 C ALA A 207 56.720 -75.656 24.165 1.00 6.98 C -ATOM 1599 O ALA A 207 56.620 -76.606 23.367 1.00 8.11 O -ATOM 1600 N LYS A 208 57.031 -75.815 25.436 1.00 6.39 N -ATOM 1601 CA LYS A 208 57.246 -77.165 26.012 1.00 6.71 C -ATOM 1602 CB LYS A 208 58.202 -77.170 27.210 1.00 7.78 C -ATOM 1603 CG LYS A 208 59.550 -76.625 26.856 1.00 8.01 C -ATOM 1604 CD LYS A 208 60.218 -77.440 25.783 1.00 8.88 C -ATOM 1605 CE LYS A 208 61.671 -77.065 25.596 1.00 10.07 C -ATOM 1606 NZ LYS A 208 62.242 -77.707 24.398 1.00 11.46 N -ATOM 1607 C LYS A 208 55.924 -77.834 26.398 1.00 6.41 C -ATOM 1608 O LYS A 208 55.916 -79.066 26.675 1.00 7.53 O -ATOM 1609 N VAL A 209 54.822 -77.089 26.507 1.00 6.04 N -ATOM 1610 CA VAL A 209 53.564 -77.539 27.112 1.00 6.05 C -ATOM 1611 CB VAL A 209 53.277 -76.695 28.358 1.00 6.25 C -ATOM 1612 CG1 VAL A 209 52.040 -77.169 29.054 1.00 6.97 C -ATOM 1613 CG2 VAL A 209 54.471 -76.717 29.305 1.00 6.53 C -ATOM 1614 C VAL A 209 52.441 -77.374 26.084 1.00 5.89 C -ATOM 1615 O VAL A 209 52.376 -76.372 25.393 1.00 5.98 O -ATOM 1616 N PHE A 210 51.578 -78.379 26.029 1.00 5.63 N -ATOM 1617 CA PHE A 210 50.382 -78.334 25.174 1.00 6.04 C -ATOM 1618 CB PHE A 210 49.792 -79.736 25.023 1.00 5.90 C -ATOM 1619 CG PHE A 210 50.611 -80.621 24.128 1.00 5.97 C -ATOM 1620 CD1 PHE A 210 50.384 -80.670 22.762 1.00 6.99 C -ATOM 1621 CE1 PHE A 210 51.143 -81.516 21.968 1.00 7.99 C -ATOM 1622 CZ PHE A 210 52.115 -82.296 22.518 1.00 7.59 C -ATOM 1623 CD2 PHE A 210 51.598 -81.442 24.663 1.00 6.45 C -ATOM 1624 CE2 PHE A 210 52.323 -82.311 23.875 1.00 6.88 C -ATOM 1625 C PHE A 210 49.315 -77.492 25.856 1.00 5.92 C -ATOM 1626 O PHE A 210 48.925 -77.847 26.997 1.00 7.84 O -ATOM 1627 N ILE A 211 48.732 -76.512 25.209 1.00 5.54 N -ATOM 1628 CA ILE A 211 47.574 -75.808 25.817 1.00 5.43 C -ATOM 1629 CB ILE A 211 47.430 -74.379 25.286 1.00 5.70 C -ATOM 1630 CG1 ILE A 211 47.270 -74.285 23.773 1.00 6.37 C -ATOM 1631 CG2 ILE A 211 48.624 -73.522 25.729 1.00 5.96 C -ATOM 1632 CD1 ILE A 211 46.748 -72.919 23.327 1.00 7.40 C -ATOM 1633 C ILE A 211 46.299 -76.610 25.604 1.00 5.45 C -ATOM 1634 O ILE A 211 46.116 -77.188 24.527 1.00 5.66 O -ATOM 1635 N SER A 212 45.416 -76.590 26.580 1.00 5.36 N -ATOM 1636 CA SER A 212 44.144 -77.326 26.484 1.00 5.80 C -ATOM 1637 CB SER A 212 44.235 -78.612 27.237 1.00 5.52 C -ATOM 1638 OG SER A 212 43.032 -79.343 27.033 1.00 6.41 O -ATOM 1639 C SER A 212 43.048 -76.420 26.993 1.00 5.16 C -ATOM 1640 O SER A 212 42.751 -76.430 28.178 1.00 5.85 O -ATOM 1641 N PRO A 213 42.395 -75.630 26.120 1.00 5.53 N -ATOM 1642 CA PRO A 213 41.423 -74.655 26.572 1.00 5.33 C -ATOM 1643 CB PRO A 213 41.132 -73.833 25.310 1.00 5.75 C -ATOM 1644 CG PRO A 213 41.490 -74.733 24.158 1.00 6.50 C -ATOM 1645 CD PRO A 213 42.641 -75.559 24.671 1.00 5.68 C -ATOM 1646 C PRO A 213 40.142 -75.294 27.077 1.00 4.94 C -ATOM 1647 O PRO A 213 39.733 -76.337 26.628 1.00 6.04 O -ATOM 1648 N VAL A 214 39.483 -74.539 27.931 1.00 5.46 N -ATOM 1649 CA VAL A 214 38.093 -74.836 28.343 1.00 6.13 C -ATOM 1650 CB VAL A 214 37.585 -73.779 29.335 1.00 6.96 C -ATOM 1651 CG1 VAL A 214 36.128 -74.020 29.662 1.00 8.02 C -ATOM 1652 CG2 VAL A 214 38.411 -73.764 30.608 1.00 7.99 C -ATOM 1653 C VAL A 214 37.255 -74.864 27.071 1.00 6.05 C -ATOM 1654 O VAL A 214 37.335 -73.892 26.262 1.00 6.66 O -ATOM 1655 N THR A 215 36.455 -75.904 26.902 1.00 5.72 N -ATOM 1656 CA THR A 215 35.751 -76.148 25.645 1.00 5.81 C -ATOM 1657 CB THR A 215 36.372 -77.394 25.024 1.00 6.00 C -ATOM 1658 OG1 THR A 215 37.758 -77.148 24.760 1.00 5.65 O -ATOM 1659 CG2 THR A 215 35.715 -77.880 23.741 1.00 6.03 C -ATOM 1660 C THR A 215 34.269 -76.345 25.911 1.00 6.22 C -ATOM 1661 O THR A 215 33.874 -77.267 26.703 1.00 6.80 O -ATOM 1662 N ASN A 216 33.444 -75.567 25.239 1.00 6.09 N -ATOM 1663 CA ASN A 216 31.977 -75.720 25.357 1.00 7.15 C -ATOM 1664 CB ASN A 216 31.464 -74.935 26.551 1.00 7.58 C -ATOM 1665 CG ASN A 216 31.761 -73.459 26.495 1.00 7.66 C -ATOM 1666 OD1 ASN A 216 31.987 -72.893 25.450 1.00 8.86 O -ATOM 1667 ND2 ASN A 216 31.741 -72.812 27.649 1.00 10.14 N -ATOM 1668 C ASN A 216 31.300 -75.360 24.048 1.00 7.50 C -ATOM 1669 O ASN A 216 30.096 -75.070 24.061 1.00 8.65 O -ATOM 1670 N GLY A 217 31.995 -75.502 22.943 1.00 7.12 N -ATOM 1671 CA GLY A 217 31.421 -75.292 21.616 1.00 7.34 C -ATOM 1672 C GLY A 217 32.444 -75.711 20.589 1.00 7.01 C -ATOM 1673 O GLY A 217 33.654 -75.801 20.868 1.00 6.68 O -ATOM 1674 N GLN A 218 31.986 -75.892 19.370 1.00 7.19 N -ATOM 1675 CA GLN A 218 32.851 -76.351 18.266 1.00 6.90 C -ATOM 1676 CB GLN A 218 32.065 -76.512 16.964 1.00 7.01 C -ATOM 1677 CG GLN A 218 32.884 -77.070 15.810 1.00 7.33 C -ATOM 1678 CD GLN A 218 33.280 -78.507 15.997 1.00 7.76 C -ATOM 1679 OE1 GLN A 218 32.416 -79.318 16.322 1.00 8.37 O -ATOM 1680 NE2 GLN A 218 34.508 -78.864 15.685 1.00 7.88 N -ATOM 1681 C GLN A 218 34.018 -75.380 18.050 1.00 6.10 C -ATOM 1682 O GLN A 218 35.163 -75.822 17.780 1.00 5.79 O -ATOM 1683 N ASN A 219 33.759 -74.088 18.163 1.00 5.62 N -ATOM 1684 CA ASN A 219 34.825 -73.101 17.907 1.00 6.69 C -ATOM 1685 CB ASN A 219 34.256 -71.693 17.893 1.00 7.33 C -ATOM 1686 CG ASN A 219 33.849 -71.215 19.270 1.00 7.12 C -ATOM 1687 OD1 ASN A 219 32.805 -71.673 19.790 1.00 8.00 O -ATOM 1688 ND2 ASN A 219 34.636 -70.380 19.902 1.00 7.75 N -ATOM 1689 C ASN A 219 35.953 -73.238 18.916 1.00 5.98 C -ATOM 1690 O ASN A 219 37.071 -72.790 18.607 1.00 5.74 O -ATOM 1691 N ASP A 220 35.729 -73.855 20.070 1.00 5.34 N -ATOM 1692 CA ASP A 220 36.821 -74.008 21.057 1.00 5.23 C -ATOM 1693 CB ASP A 220 36.251 -74.262 22.448 1.00 5.41 C -ATOM 1694 CG ASP A 220 35.463 -73.090 22.995 1.00 5.90 C -ATOM 1695 OD1 ASP A 220 35.790 -71.932 22.671 1.00 5.82 O -ATOM 1696 OD2 ASP A 220 34.515 -73.346 23.759 1.00 6.01 O -ATOM 1697 C ASP A 220 37.756 -75.146 20.628 1.00 4.96 C -ATOM 1698 O ASP A 220 38.854 -75.262 21.188 1.00 5.91 O -ATOM 1699 N ILE A 221 37.333 -75.999 19.723 1.00 5.36 N -ATOM 1700 CA ILE A 221 38.122 -77.076 19.082 1.00 5.90 C -ATOM 1701 CB ILE A 221 37.257 -78.304 18.802 1.00 6.54 C -ATOM 1702 CG1 ILE A 221 36.640 -78.829 20.110 1.00 7.34 C -ATOM 1703 CG2 ILE A 221 38.079 -79.348 18.092 1.00 6.43 C -ATOM 1704 CD1 ILE A 221 35.583 -79.885 19.898 1.00 8.64 C -ATOM 1705 C ILE A 221 38.794 -76.536 17.827 1.00 5.46 C -ATOM 1706 O ILE A 221 40.027 -76.647 17.741 1.00 5.89 O -ATOM 1707 N SER A 222 38.028 -75.964 16.926 1.00 5.47 N -ATOM 1708 CA SER A 222 38.457 -75.824 15.530 1.00 5.59 C -ATOM 1709 CB SER A 222 37.666 -76.770 14.627 1.00 5.97 C -ATOM 1710 OG SER A 222 36.291 -76.655 14.879 1.00 6.98 O -ATOM 1711 C SER A 222 38.323 -74.384 15.041 1.00 5.71 C -ATOM 1712 O SER A 222 38.645 -74.151 13.876 1.00 6.52 O -ATOM 1713 N GLY A 223 37.830 -73.439 15.848 1.00 5.70 N -ATOM 1714 CA GLY A 223 37.622 -72.056 15.417 1.00 5.66 C -ATOM 1715 C GLY A 223 38.473 -71.097 16.190 1.00 5.19 C -ATOM 1716 O GLY A 223 39.546 -71.452 16.702 1.00 5.80 O -ATOM 1717 N LYS A 224 37.988 -69.858 16.301 1.00 5.23 N -ATOM 1718 CA LYS A 224 38.638 -68.890 17.199 1.00 5.04 C -ATOM 1719 CB LYS A 224 38.384 -67.437 16.801 1.00 5.30 C -ATOM 1720 CG LYS A 224 39.232 -66.452 17.575 1.00 5.67 C -ATOM 1721 CD LYS A 224 38.983 -65.044 17.070 1.00 5.98 C -ATOM 1722 CE LYS A 224 39.944 -64.062 17.666 1.00 7.00 C -ATOM 1723 NZ LYS A 224 39.762 -63.860 19.101 1.00 7.04 N -ATOM 1724 C LYS A 224 38.149 -69.220 18.598 1.00 4.72 C -ATOM 1725 O LYS A 224 36.958 -69.069 18.914 1.00 4.76 O -ATOM 1726 N VAL A 225 39.032 -69.796 19.386 1.00 4.86 N -ATOM 1727 CA VAL A 225 38.669 -70.313 20.708 1.00 4.90 C -ATOM 1728 CB VAL A 225 39.870 -71.068 21.300 1.00 5.04 C -ATOM 1729 CG1 VAL A 225 39.587 -71.564 22.693 1.00 5.15 C -ATOM 1730 CG2 VAL A 225 40.293 -72.204 20.375 1.00 5.46 C -ATOM 1731 C VAL A 225 38.192 -69.164 21.593 1.00 5.01 C -ATOM 1732 O VAL A 225 38.795 -68.081 21.601 1.00 5.28 O -ATOM 1733 N SER A 226 37.181 -69.433 22.411 1.00 5.72 N -ATOM 1734 CA SER A 226 36.680 -68.454 23.397 1.00 5.82 C -ATOM 1735 CB SER A 226 35.638 -69.122 24.264 1.00 6.66 C -ATOM 1736 OG SER A 226 34.624 -69.744 23.522 1.00 7.30 O -ATOM 1737 C SER A 226 37.855 -67.968 24.245 1.00 5.82 C -ATOM 1738 O SER A 226 38.599 -68.768 24.818 1.00 5.81 O -ATOM 1739 N GLY A 227 38.021 -66.654 24.348 1.00 5.72 N -ATOM 1740 CA GLY A 227 39.028 -66.040 25.225 1.00 5.87 C -ATOM 1741 C GLY A 227 40.442 -66.131 24.690 1.00 5.36 C -ATOM 1742 O GLY A 227 41.321 -65.763 25.453 1.00 6.60 O -ATOM 1743 N MET A 228 40.651 -66.507 23.426 1.00 5.20 N -ATOM 1744 CA MET A 228 42.000 -66.609 22.836 1.00 5.40 C -ATOM 1745 CB MET A 228 42.443 -68.058 22.624 1.00 5.75 C -ATOM 1746 CG MET A 228 42.302 -68.891 23.874 1.00 5.85 C -ATOM 1747 SD MET A 228 43.572 -70.181 24.074 1.00 6.53 S -ATOM 1748 CE MET A 228 42.641 -71.384 23.157 1.00 15.18 C -ATOM 1749 C MET A 228 42.054 -65.904 21.494 1.00 5.15 C -ATOM 1750 O MET A 228 41.054 -65.683 20.839 1.00 6.48 O -ATOM 1751 N SER A 229 43.259 -65.521 21.125 1.00 5.19 N -ATOM 1752 CA SER A 229 43.538 -64.955 19.793 1.00 5.65 C -ATOM 1753 CB SER A 229 44.923 -64.371 19.823 1.00 5.41 C -ATOM 1754 OG SER A 229 45.868 -65.418 20.029 1.00 5.54 O -ATOM 1755 C SER A 229 43.469 -66.046 18.729 1.00 5.10 C -ATOM 1756 O SER A 229 43.474 -67.278 19.034 1.00 4.76 O -ATOM 1757 N SER A 230 43.424 -65.605 17.489 1.00 5.23 N -ATOM 1758 CA SER A 230 43.551 -66.557 16.361 1.00 5.28 C -ATOM 1759 CB SER A 230 43.415 -65.803 15.080 1.00 5.28 C -ATOM 1760 OG SER A 230 42.079 -65.390 14.891 1.00 5.95 O -ATOM 1761 C SER A 230 44.882 -67.307 16.423 1.00 5.14 C -ATOM 1762 O SER A 230 44.925 -68.557 16.294 1.00 5.02 O -ATOM 1763 N GLN A 231 45.978 -66.609 16.658 1.00 5.19 N -ATOM 1764 CA GLN A 231 47.313 -67.250 16.729 1.00 5.53 C -ATOM 1765 CB GLN A 231 48.307 -66.217 17.195 1.00 5.92 C -ATOM 1766 CG GLN A 231 49.668 -66.783 17.530 1.00 6.91 C -ATOM 1767 CD GLN A 231 50.655 -65.763 18.081 1.00 8.43 C -ATOM 1768 OE1 GLN A 231 50.288 -64.956 18.942 1.00 9.67 O -ATOM 1769 NE2 GLN A 231 51.905 -65.762 17.602 1.00 8.94 N -ATOM 1770 C GLN A 231 47.256 -68.394 17.751 1.00 5.34 C -ATOM 1771 O GLN A 231 47.691 -69.517 17.480 1.00 5.24 O -ATOM 1772 N SER A 232 46.777 -68.101 18.962 1.00 5.06 N -ATOM 1773 CA SER A 232 46.834 -69.110 20.039 1.00 5.00 C -ATOM 1774 CB SER A 232 46.582 -68.464 21.341 1.00 5.83 C -ATOM 1775 OG SER A 232 47.675 -67.558 21.586 1.00 6.90 O -ATOM 1776 C SER A 232 45.905 -70.287 19.752 1.00 4.87 C -ATOM 1777 O SER A 232 46.230 -71.437 20.035 1.00 5.48 O -ATOM 1778 N SER A 233 44.745 -70.000 19.154 1.00 4.54 N -ATOM 1779 CA SER A 233 43.776 -71.048 18.721 1.00 4.80 C -ATOM 1780 CB SER A 233 42.639 -70.399 18.003 1.00 4.90 C -ATOM 1781 OG SER A 233 41.865 -69.573 18.882 1.00 5.63 O -ATOM 1782 C SER A 233 44.497 -72.066 17.866 1.00 4.51 C -ATOM 1783 O SER A 233 44.237 -73.263 17.935 1.00 4.85 O -ATOM 1784 N GLY A 234 45.382 -71.607 16.985 1.00 4.70 N -ATOM 1785 CA GLY A 234 46.025 -72.503 16.026 1.00 5.06 C -ATOM 1786 C GLY A 234 46.966 -73.503 16.671 1.00 4.75 C -ATOM 1787 O GLY A 234 47.236 -74.564 16.033 1.00 5.48 O -ATOM 1788 N TYR A 235 47.383 -73.278 17.905 1.00 5.10 N -ATOM 1789 CA TYR A 235 48.250 -74.253 18.609 1.00 5.74 C -ATOM 1790 CB TYR A 235 49.184 -73.552 19.602 1.00 6.07 C -ATOM 1791 CG TYR A 235 50.261 -72.736 18.944 1.00 5.68 C -ATOM 1792 CD1 TYR A 235 51.454 -73.297 18.590 1.00 6.55 C -ATOM 1793 CE1 TYR A 235 52.435 -72.556 17.954 1.00 6.64 C -ATOM 1794 CZ TYR A 235 52.183 -71.277 17.535 1.00 6.84 C -ATOM 1795 OH TYR A 235 53.162 -70.573 16.845 1.00 8.23 O -ATOM 1796 CE2 TYR A 235 50.977 -70.696 17.852 1.00 7.51 C -ATOM 1797 CD2 TYR A 235 50.036 -71.425 18.553 1.00 6.22 C -ATOM 1798 C TYR A 235 47.450 -75.329 19.359 1.00 6.03 C -ATOM 1799 O TYR A 235 48.042 -76.211 19.981 1.00 7.59 O -ATOM 1800 N VAL A 236 46.132 -75.285 19.295 1.00 5.67 N -ATOM 1801 CA VAL A 236 45.292 -76.158 20.147 1.00 5.64 C -ATOM 1802 CB VAL A 236 43.877 -75.576 20.276 1.00 5.46 C -ATOM 1803 CG1 VAL A 236 42.955 -76.587 20.924 1.00 6.02 C -ATOM 1804 CG2 VAL A 236 43.886 -74.233 21.044 1.00 5.53 C -ATOM 1805 C VAL A 236 45.285 -77.593 19.611 1.00 5.25 C -ATOM 1806 O VAL A 236 44.755 -77.873 18.530 1.00 6.09 O -ATOM 1807 N ALA A 237 45.834 -78.501 20.402 1.00 5.72 N -ATOM 1808 CA ALA A 237 45.896 -79.956 20.107 1.00 5.28 C -ATOM 1809 CB ALA A 237 47.337 -80.377 19.936 1.00 5.97 C -ATOM 1810 C ALA A 237 45.249 -80.771 21.218 1.00 5.62 C -ATOM 1811 O ALA A 237 45.284 -82.003 21.167 1.00 6.16 O -ATOM 1812 N MET A 238 44.615 -80.105 22.159 1.00 5.61 N -ATOM 1813 CA MET A 238 44.002 -80.727 23.345 1.00 5.34 C -ATOM 1814 CB MET A 238 45.022 -80.833 24.488 1.00 5.23 C -ATOM 1815 CG MET A 238 46.153 -81.781 24.190 1.00 5.77 C -ATOM 1816 SD MET A 238 46.877 -82.336 25.752 1.00 6.64 S -ATOM 1817 CE MET A 238 48.153 -83.455 25.189 1.00 7.16 C -ATOM 1818 C MET A 238 42.823 -79.860 23.760 1.00 5.30 C -ATOM 1819 O MET A 238 42.843 -78.653 23.547 1.00 6.09 O -ATOM 1820 N ASN A 239 41.831 -80.453 24.385 1.00 4.71 N -ATOM 1821 CA ASN A 239 40.628 -79.710 24.820 1.00 4.99 C -ATOM 1822 CB ASN A 239 39.496 -79.856 23.818 1.00 5.65 C -ATOM 1823 CG ASN A 239 39.798 -79.032 22.567 1.00 5.91 C -ATOM 1824 OD1 ASN A 239 39.527 -77.821 22.551 1.00 6.95 O -ATOM 1825 ND2 ASN A 239 40.366 -79.657 21.568 1.00 5.20 N -ATOM 1826 C ASN A 239 40.216 -80.218 26.194 1.00 5.52 C -ATOM 1827 O ASN A 239 40.245 -81.445 26.446 1.00 6.35 O -ATOM 1828 N ASN A 240 39.753 -79.299 27.031 1.00 5.64 N -ATOM 1829 CA ASN A 240 39.394 -79.595 28.439 1.00 6.54 C -ATOM 1830 CB ASN A 240 40.265 -78.787 29.383 1.00 8.82 C -ATOM 1831 CG ASN A 240 40.347 -79.490 30.741 1.00 12.47 C -ATOM 1832 OD1 ASN A 240 40.755 -80.662 30.861 1.00 13.75 O -ATOM 1833 ND2 ASN A 240 39.968 -78.784 31.795 1.00 17.00 N -ATOM 1834 C ASN A 240 37.908 -79.308 28.661 1.00 6.30 C -ATOM 1835 O ASN A 240 37.461 -78.192 28.387 1.00 7.27 O -ATOM 1836 N MET A 241 37.171 -80.313 29.081 1.00 6.69 N -ATOM 1837 CA MET A 241 35.711 -80.235 29.239 1.00 7.25 C -ATOM 1838 CB MET A 241 35.042 -81.199 28.276 1.00 8.17 C -ATOM 1839 CG MET A 241 35.131 -80.719 26.850 1.00 8.89 C -ATOM 1840 SD MET A 241 35.187 -82.095 25.689 1.00 10.75 S -ATOM 1841 CE MET A 241 35.988 -81.381 24.254 1.00 16.44 C -ATOM 1842 C MET A 241 35.273 -80.589 30.655 1.00 7.86 C -ATOM 1843 O MET A 241 35.712 -81.624 31.186 1.00 8.18 O -ATOM 1844 N GLY A 242 34.383 -79.801 31.225 1.00 8.75 N -ATOM 1845 CA GLY A 242 33.615 -80.175 32.432 1.00 9.47 C -ATOM 1846 C GLY A 242 32.563 -81.165 32.048 1.00 9.76 C -ATOM 1847 O GLY A 242 32.261 -81.380 30.882 1.00 10.32 O -ATOM 1848 N LYS A 243 31.895 -81.666 33.072 1.00 10.26 N -ATOM 1849 CA LYS A 243 30.845 -82.675 32.950 1.00 11.59 C -ATOM 1850 CB LYS A 243 30.224 -82.870 34.331 1.00 13.29 C -ATOM 1851 CG LYS A 243 28.977 -83.732 34.344 1.00 14.91 C -ATOM 1852 CD LYS A 243 28.487 -83.995 35.741 1.00 16.54 C -ATOM 1853 CE LYS A 243 27.192 -84.771 35.714 1.00 18.09 C -ATOM 1854 NZ LYS A 243 26.542 -84.781 37.040 1.00 21.50 N -ATOM 1855 C LYS A 243 29.769 -82.256 31.956 1.00 10.26 C -ATOM 1856 O LYS A 243 29.404 -83.067 31.123 1.00 10.64 O -ATOM 1857 N GLY A 244 29.298 -81.016 32.079 1.00 11.43 N -ATOM 1858 CA GLY A 244 28.194 -80.512 31.269 1.00 11.90 C -ATOM 1859 C GLY A 244 28.605 -80.326 29.815 1.00 11.85 C -ATOM 1860 O GLY A 244 27.694 -80.183 28.995 1.00 14.08 O -ATOM 1861 N ASP A 245 29.912 -80.335 29.491 1.00 10.69 N -ATOM 1862 CA ASP A 245 30.418 -80.005 28.142 1.00 9.96 C -ATOM 1863 CB ASP A 245 31.416 -78.867 28.287 1.00 10.36 C -ATOM 1864 CG ASP A 245 30.752 -77.611 28.812 1.00 11.06 C -ATOM 1865 OD1 ASP A 245 29.610 -77.319 28.317 1.00 12.86 O -ATOM 1866 OD2 ASP A 245 31.404 -76.949 29.632 1.00 10.83 O -ATOM 1867 C ASP A 245 31.010 -81.259 27.507 1.00 9.63 C -ATOM 1868 O ASP A 245 31.593 -81.152 26.445 1.00 9.79 O -ATOM 1869 N LYS A 246 30.876 -82.442 28.110 1.00 9.03 N -ATOM 1870 CA LYS A 246 31.614 -83.649 27.655 1.00 9.90 C -ATOM 1871 CB LYS A 246 31.461 -84.784 28.662 1.00 9.46 C -ATOM 1872 CG LYS A 246 30.076 -85.406 28.721 1.00 9.57 C -ATOM 1873 CD LYS A 246 30.055 -86.560 29.688 1.00 10.40 C -ATOM 1874 CE LYS A 246 28.729 -87.279 29.782 1.00 11.06 C -ATOM 1875 NZ LYS A 246 28.889 -88.487 30.631 1.00 11.66 N -ATOM 1876 C LYS A 246 31.139 -84.141 26.280 1.00 9.46 C -ATOM 1877 O LYS A 246 31.844 -84.887 25.638 1.00 9.19 O -ATOM 1878 N SER A 247 30.003 -83.686 25.812 1.00 9.58 N -ATOM 1879 CA SER A 247 29.513 -84.072 24.464 1.00 10.66 C -ATOM 1880 CB SER A 247 28.135 -83.529 24.200 1.00 12.06 C -ATOM 1881 OG SER A 247 28.127 -82.116 24.214 1.00 14.64 O -ATOM 1882 C SER A 247 30.529 -83.597 23.419 1.00 10.81 C -ATOM 1883 O SER A 247 30.546 -84.137 22.301 1.00 12.38 O -ATOM 1884 N TRP A 248 31.350 -82.590 23.738 1.00 8.66 N -ATOM 1885 CA TRP A 248 32.338 -82.057 22.769 1.00 8.47 C -ATOM 1886 CB TRP A 248 32.743 -80.634 23.175 1.00 9.66 C -ATOM 1887 CG TRP A 248 31.620 -79.692 22.981 1.00 9.43 C -ATOM 1888 CD1 TRP A 248 30.786 -79.161 23.936 1.00 10.61 C -ATOM 1889 NE1 TRP A 248 29.785 -78.455 23.318 1.00 11.50 N -ATOM 1890 CE2 TRP A 248 29.920 -78.556 21.964 1.00 11.24 C -ATOM 1891 CD2 TRP A 248 31.064 -79.346 21.708 1.00 9.93 C -ATOM 1892 CE3 TRP A 248 31.459 -79.588 20.399 1.00 10.30 C -ATOM 1893 CZ3 TRP A 248 30.713 -79.062 19.368 1.00 12.29 C -ATOM 1894 CH2 TRP A 248 29.577 -78.311 19.636 1.00 12.52 C -ATOM 1895 CZ2 TRP A 248 29.176 -78.010 20.911 1.00 13.15 C -ATOM 1896 C TRP A 248 33.525 -83.017 22.600 1.00 7.65 C -ATOM 1897 O TRP A 248 34.285 -82.842 21.662 1.00 7.87 O -ATOM 1898 N ALA A 249 33.666 -84.044 23.441 1.00 7.75 N -ATOM 1899 CA ALA A 249 34.841 -84.916 23.355 1.00 7.64 C -ATOM 1900 CB ALA A 249 34.932 -85.827 24.543 1.00 7.37 C -ATOM 1901 C ALA A 249 34.781 -85.688 22.041 1.00 7.97 C -ATOM 1902 O ALA A 249 35.857 -85.967 21.448 1.00 8.91 O -ATOM 1903 N LYS A 250 33.583 -85.952 21.528 1.00 7.72 N -ATOM 1904 CA LYS A 250 33.529 -86.681 20.239 1.00 9.43 C -ATOM 1905 CB LYS A 250 32.104 -87.094 19.847 1.00 11.52 C -ATOM 1906 CG LYS A 250 31.593 -88.395 20.472 1.00 15.80 C -ATOM 1907 CD LYS A 250 30.482 -89.019 19.606 1.00 17.95 C -ATOM 1908 CE LYS A 250 30.316 -90.516 19.782 1.00 22.21 C -ATOM 1909 NZ LYS A 250 29.894 -90.873 21.153 1.00 25.31 N -ATOM 1910 C LYS A 250 34.148 -85.818 19.135 1.00 8.15 C -ATOM 1911 O LYS A 250 34.742 -86.374 18.184 1.00 9.82 O -ATOM 1912 N GLN A 251 33.989 -84.497 19.198 1.00 8.17 N -ATOM 1913 CA GLN A 251 34.612 -83.611 18.182 1.00 8.06 C -ATOM 1914 CB GLN A 251 33.760 -82.354 18.069 1.00 8.83 C -ATOM 1915 CG GLN A 251 32.617 -82.529 17.092 1.00 11.08 C -ATOM 1916 CD GLN A 251 33.181 -82.685 15.692 1.00 10.91 C -ATOM 1917 OE1 GLN A 251 33.995 -81.875 15.219 1.00 13.00 O -ATOM 1918 NE2 GLN A 251 32.871 -83.823 15.050 1.00 12.79 N -ATOM 1919 C GLN A 251 36.093 -83.385 18.479 1.00 7.74 C -ATOM 1920 O GLN A 251 36.848 -83.224 17.540 1.00 8.51 O -ATOM 1921 N ALA A 252 36.525 -83.392 19.730 1.00 7.58 N -ATOM 1922 CA ALA A 252 37.977 -83.402 19.976 1.00 7.30 C -ATOM 1923 CB ALA A 252 38.233 -83.349 21.454 1.00 7.35 C -ATOM 1924 C ALA A 252 38.576 -84.671 19.339 1.00 7.25 C -ATOM 1925 O ALA A 252 39.587 -84.603 18.620 1.00 7.04 O -ATOM 1926 N PHE A 253 37.915 -85.810 19.539 1.00 7.11 N -ATOM 1927 CA PHE A 253 38.312 -87.100 18.931 1.00 8.33 C -ATOM 1928 CB PHE A 253 37.326 -88.158 19.426 1.00 9.08 C -ATOM 1929 CG PHE A 253 37.450 -89.467 18.718 1.00 10.06 C -ATOM 1930 CD1 PHE A 253 38.433 -90.368 19.113 1.00 10.29 C -ATOM 1931 CE1 PHE A 253 38.571 -91.581 18.438 1.00 11.78 C -ATOM 1932 CZ PHE A 253 37.710 -91.896 17.427 1.00 12.42 C -ATOM 1933 CD2 PHE A 253 36.601 -89.798 17.687 1.00 12.50 C -ATOM 1934 CE2 PHE A 253 36.724 -91.022 17.043 1.00 12.33 C -ATOM 1935 C PHE A 253 38.360 -86.947 17.401 1.00 7.63 C -ATOM 1936 O PHE A 253 39.350 -87.389 16.764 1.00 8.44 O -ATOM 1937 N ALA A 254 37.326 -86.365 16.788 1.00 7.85 N -ATOM 1938 CA ALA A 254 37.271 -86.181 15.311 1.00 8.12 C -ATOM 1939 CB ALA A 254 35.971 -85.544 14.942 1.00 9.50 C -ATOM 1940 C ALA A 254 38.447 -85.335 14.831 1.00 8.42 C -ATOM 1941 O ALA A 254 38.961 -85.590 13.736 1.00 8.55 O -ATOM 1942 N TYR A 255 38.901 -84.391 15.663 1.00 6.97 N -ATOM 1943 CA TYR A 255 40.023 -83.497 15.311 1.00 6.98 C -ATOM 1944 CB TYR A 255 39.733 -82.095 15.874 1.00 6.84 C -ATOM 1945 CG TYR A 255 39.127 -81.171 14.855 1.00 6.79 C -ATOM 1946 CD2 TYR A 255 39.903 -80.313 14.106 1.00 6.50 C -ATOM 1947 CE2 TYR A 255 39.377 -79.518 13.104 1.00 6.63 C -ATOM 1948 CZ TYR A 255 38.034 -79.590 12.830 1.00 6.33 C -ATOM 1949 OH TYR A 255 37.534 -78.788 11.848 1.00 6.55 O -ATOM 1950 CE1 TYR A 255 37.220 -80.414 13.585 1.00 7.00 C -ATOM 1951 CD1 TYR A 255 37.768 -81.183 14.598 1.00 6.33 C -ATOM 1952 C TYR A 255 41.385 -84.028 15.731 1.00 6.67 C -ATOM 1953 O TYR A 255 42.357 -83.315 15.524 1.00 6.80 O -ATOM 1954 N SER A 256 41.457 -85.229 16.286 1.00 6.43 N -ATOM 1955 CA SER A 256 42.715 -85.749 16.849 1.00 6.40 C -ATOM 1956 CB SER A 256 43.732 -86.105 15.792 1.00 6.25 C -ATOM 1957 OG SER A 256 43.186 -87.135 14.989 1.00 7.70 O -ATOM 1958 C SER A 256 43.279 -84.758 17.875 1.00 5.88 C -ATOM 1959 O SER A 256 44.501 -84.614 17.975 1.00 7.23 O -ATOM 1960 N HIS A 257 42.419 -84.122 18.645 1.00 5.83 N -ATOM 1961 CA HIS A 257 42.822 -83.396 19.870 1.00 5.57 C -ATOM 1962 CB HIS A 257 42.013 -82.107 20.037 1.00 5.22 C -ATOM 1963 CG HIS A 257 42.210 -81.069 18.989 1.00 5.18 C -ATOM 1964 ND1 HIS A 257 41.698 -79.822 19.179 1.00 5.37 N -ATOM 1965 CE1 HIS A 257 41.906 -79.104 18.093 1.00 5.46 C -ATOM 1966 NE2 HIS A 257 42.586 -79.812 17.216 1.00 5.31 N -ATOM 1967 CD2 HIS A 257 42.790 -81.054 17.763 1.00 5.78 C -ATOM 1968 C HIS A 257 42.617 -84.334 21.067 1.00 5.53 C -ATOM 1969 O HIS A 257 41.579 -84.968 21.134 1.00 6.98 O -ATOM 1970 N ILE A 258 43.500 -84.287 22.020 1.00 5.94 N -ATOM 1971 CA ILE A 258 43.343 -85.124 23.233 1.00 6.13 C -ATOM 1972 CB ILE A 258 44.683 -85.343 23.954 1.00 6.54 C -ATOM 1973 CG1 ILE A 258 45.756 -85.873 22.992 1.00 6.85 C -ATOM 1974 CG2 ILE A 258 44.542 -86.282 25.165 1.00 6.56 C -ATOM 1975 CD1 ILE A 258 45.362 -87.116 22.212 1.00 7.54 C -ATOM 1976 C ILE A 258 42.325 -84.439 24.122 1.00 6.53 C -ATOM 1977 O ILE A 258 42.589 -83.338 24.698 1.00 6.95 O -ATOM 1978 N GLY A 259 41.180 -85.079 24.295 1.00 6.16 N -ATOM 1979 CA GLY A 259 40.091 -84.557 25.141 1.00 6.70 C -ATOM 1980 C GLY A 259 40.177 -85.041 26.564 1.00 6.58 C -ATOM 1981 O GLY A 259 40.361 -86.289 26.777 1.00 7.20 O -ATOM 1982 N ARG A 260 39.991 -84.169 27.540 1.00 6.57 N -ATOM 1983 CA ARG A 260 39.899 -84.527 28.963 1.00 6.66 C -ATOM 1984 CB ARG A 260 41.009 -83.876 29.768 1.00 7.67 C -ATOM 1985 CG ARG A 260 40.984 -84.198 31.238 1.00 8.24 C -ATOM 1986 CD ARG A 260 42.325 -83.895 31.866 1.00 10.73 C -ATOM 1987 NE ARG A 260 42.413 -84.169 33.264 1.00 12.67 N -ATOM 1988 CZ ARG A 260 41.993 -83.348 34.201 1.00 13.03 C -ATOM 1989 NH1 ARG A 260 41.292 -82.292 33.886 1.00 12.83 N -ATOM 1990 NH2 ARG A 260 42.135 -83.677 35.472 1.00 15.40 N -ATOM 1991 C ARG A 260 38.544 -84.093 29.483 1.00 6.41 C -ATOM 1992 O ARG A 260 38.113 -82.941 29.191 1.00 7.48 O -ATOM 1993 N VAL A 261 37.861 -84.942 30.246 1.00 6.87 N -ATOM 1994 CA VAL A 261 36.600 -84.588 30.929 1.00 6.86 C -ATOM 1995 CB VAL A 261 35.463 -85.457 30.402 1.00 7.28 C -ATOM 1996 CG1 VAL A 261 34.194 -85.296 31.240 1.00 8.26 C -ATOM 1997 CG2 VAL A 261 35.174 -85.123 28.960 1.00 7.13 C -ATOM 1998 C VAL A 261 36.798 -84.757 32.423 1.00 7.43 C -ATOM 1999 O VAL A 261 37.173 -85.877 32.859 1.00 7.35 O -ATOM 2000 N TRP A 262 36.486 -83.717 33.177 1.00 7.45 N -ATOM 2001 CA TRP A 262 36.570 -83.738 34.642 1.00 8.46 C -ATOM 2002 CB TRP A 262 37.604 -82.701 35.100 1.00 9.37 C -ATOM 2003 CG TRP A 262 37.262 -81.300 34.685 1.00 10.46 C -ATOM 2004 CD1 TRP A 262 37.619 -80.693 33.512 1.00 11.86 C -ATOM 2005 NE1 TRP A 262 37.094 -79.433 33.464 1.00 13.09 N -ATOM 2006 CE2 TRP A 262 36.378 -79.184 34.605 1.00 13.50 C -ATOM 2007 CD2 TRP A 262 36.404 -80.368 35.378 1.00 12.21 C -ATOM 2008 CE3 TRP A 262 35.747 -80.384 36.610 1.00 14.02 C -ATOM 2009 CZ3 TRP A 262 35.054 -79.265 36.999 1.00 15.25 C -ATOM 2010 CH2 TRP A 262 34.985 -78.132 36.184 1.00 16.07 C -ATOM 2011 CZ2 TRP A 262 35.651 -78.059 34.987 1.00 15.17 C -ATOM 2012 C TRP A 262 35.168 -83.530 35.225 1.00 8.31 C -ATOM 2013 O TRP A 262 34.300 -82.985 34.568 1.00 8.94 O -ATOM 2014 N GLY A 263 35.032 -83.954 36.466 1.00 8.91 N -ATOM 2015 CA GLY A 263 33.815 -83.747 37.262 1.00 9.44 C -ATOM 2016 C GLY A 263 32.713 -84.759 36.987 1.00 9.99 C -ATOM 2017 O GLY A 263 31.633 -84.590 37.534 1.00 11.20 O -ATOM 2018 N ASP A 264 32.974 -85.807 36.211 1.00 9.59 N -ATOM 2019 CA ASP A 264 31.921 -86.771 35.817 1.00 9.87 C -ATOM 2020 CB ASP A 264 31.886 -86.876 34.289 1.00 10.01 C -ATOM 2021 CG ASP A 264 30.571 -87.400 33.737 1.00 10.69 C -ATOM 2022 OD1 ASP A 264 29.549 -87.181 34.421 1.00 11.33 O -ATOM 2023 OD2 ASP A 264 30.578 -87.994 32.661 1.00 10.43 O -ATOM 2024 C ASP A 264 32.156 -88.119 36.488 1.00 10.12 C -ATOM 2025 O ASP A 264 32.038 -89.166 35.821 1.00 10.29 O -ATOM 2026 N ASP A 265 32.398 -88.103 37.783 1.00 10.54 N -ATOM 2027 CA ASP A 265 32.931 -89.281 38.505 1.00 11.38 C -ATOM 2028 CB ASP A 265 33.355 -88.905 39.919 1.00 12.64 C -ATOM 2029 CG ASP A 265 34.569 -88.001 40.098 1.00 14.44 C -ATOM 2030 OD1 ASP A 265 35.678 -88.458 39.973 1.00 18.07 O -ATOM 2031 OD2 ASP A 265 34.349 -86.904 40.684 1.00 29.70 O -ATOM 2032 C ASP A 265 31.902 -90.420 38.590 1.00 12.11 C -ATOM 2033 O ASP A 265 32.362 -91.555 38.811 1.00 12.37 O -ATOM 2034 N GLU A 266 30.613 -90.134 38.451 1.00 11.52 N -ATOM 2035 CA GLU A 266 29.555 -91.181 38.583 1.00 13.33 C -ATOM 2036 CB GLU A 266 28.210 -90.538 38.884 1.00 16.10 C -ATOM 2037 CG GLU A 266 28.242 -89.582 40.059 1.00 19.86 C -ATOM 2038 CD GLU A 266 28.992 -90.115 41.265 1.00 23.14 C -ATOM 2039 OE1 GLU A 266 28.686 -91.243 41.699 1.00 26.80 O -ATOM 2040 OE2 GLU A 266 29.905 -89.409 41.767 1.00 29.42 O -ATOM 2041 C GLU A 266 29.440 -92.025 37.312 1.00 12.87 C -ATOM 2042 O GLU A 266 28.714 -93.053 37.319 1.00 14.22 O -ATOM 2043 N VAL A 267 30.003 -91.548 36.214 1.00 11.62 N -ATOM 2044 CA VAL A 267 29.918 -92.285 34.929 1.00 11.42 C -ATOM 2045 CB VAL A 267 29.767 -91.282 33.786 1.00 11.24 C -ATOM 2046 CG1 VAL A 267 29.905 -91.934 32.430 1.00 11.84 C -ATOM 2047 CG2 VAL A 267 28.459 -90.533 33.910 1.00 11.02 C -ATOM 2048 C VAL A 267 31.114 -93.207 34.777 1.00 11.47 C -ATOM 2049 O VAL A 267 32.286 -92.804 35.002 1.00 11.19 O -ATOM 2050 N SER A 268 30.862 -94.422 34.306 1.00 10.65 N -ATOM 2051 CA SER A 268 31.889 -95.479 34.254 1.00 10.96 C -ATOM 2052 CB SER A 268 31.269 -96.826 33.962 1.00 10.88 C -ATOM 2053 OG SER A 268 30.811 -96.868 32.620 1.00 11.37 O -ATOM 2054 C SER A 268 32.918 -95.170 33.162 1.00 9.99 C -ATOM 2055 O SER A 268 32.635 -94.457 32.161 1.00 10.53 O -ATOM 2056 N PHE A 269 34.075 -95.782 33.303 1.00 9.41 N -ATOM 2057 CA PHE A 269 35.093 -95.722 32.231 1.00 10.14 C -ATOM 2058 CB PHE A 269 36.336 -96.451 32.685 1.00 10.58 C -ATOM 2059 CG PHE A 269 37.516 -96.371 31.751 1.00 10.06 C -ATOM 2060 CD1 PHE A 269 37.845 -95.211 31.034 1.00 9.39 C -ATOM 2061 CE1 PHE A 269 38.948 -95.196 30.198 1.00 10.79 C -ATOM 2062 CZ PHE A 269 39.756 -96.283 30.078 1.00 9.90 C -ATOM 2063 CD2 PHE A 269 38.340 -97.468 31.627 1.00 9.76 C -ATOM 2064 CE2 PHE A 269 39.453 -97.419 30.809 1.00 9.72 C -ATOM 2065 C PHE A 269 34.496 -96.235 30.919 1.00 9.28 C -ATOM 2066 O PHE A 269 34.749 -95.670 29.859 1.00 9.83 O -ATOM 2067 N ALA A 270 33.787 -97.366 30.966 1.00 9.24 N -ATOM 2068 CA ALA A 270 33.197 -97.948 29.754 1.00 9.47 C -ATOM 2069 CB ALA A 270 32.377 -99.172 30.074 1.00 10.00 C -ATOM 2070 C ALA A 270 32.339 -96.900 29.055 1.00 8.93 C -ATOM 2071 O ALA A 270 32.366 -96.828 27.824 1.00 8.97 O -ATOM 2072 N GLN A 271 31.532 -96.137 29.768 1.00 8.92 N -ATOM 2073 CA GLN A 271 30.658 -95.145 29.109 1.00 9.25 C -ATOM 2074 CB GLN A 271 29.588 -94.684 30.083 1.00 11.66 C -ATOM 2075 CG GLN A 271 28.654 -93.653 29.471 1.00 13.00 C -ATOM 2076 CD GLN A 271 27.302 -93.573 30.132 1.00 14.65 C -ATOM 2077 OE1 GLN A 271 27.194 -93.742 31.332 1.00 16.78 O -ATOM 2078 NE2 GLN A 271 26.277 -93.250 29.362 1.00 17.90 N -ATOM 2079 C GLN A 271 31.522 -94.008 28.574 1.00 9.59 C -ATOM 2080 O GLN A 271 31.288 -93.563 27.459 1.00 10.21 O -ATOM 2081 N HIS A 272 32.526 -93.559 29.310 1.00 9.08 N -ATOM 2082 CA HIS A 272 33.371 -92.468 28.772 1.00 9.26 C -ATOM 2083 CB HIS A 272 34.362 -91.998 29.826 1.00 9.16 C -ATOM 2084 CG HIS A 272 33.759 -91.268 30.977 1.00 8.93 C -ATOM 2085 ND1 HIS A 272 32.788 -90.321 30.848 1.00 9.79 N -ATOM 2086 CE1 HIS A 272 32.541 -89.796 32.036 1.00 8.48 C -ATOM 2087 NE2 HIS A 272 33.239 -90.446 32.921 1.00 10.86 N -ATOM 2088 CD2 HIS A 272 34.029 -91.354 32.295 1.00 8.22 C -ATOM 2089 C HIS A 272 34.105 -92.951 27.517 1.00 8.83 C -ATOM 2090 O HIS A 272 34.327 -92.132 26.588 1.00 9.33 O -ATOM 2091 N ILE A 273 34.530 -94.212 27.469 1.00 8.50 N -ATOM 2092 CA ILE A 273 35.145 -94.803 26.243 1.00 9.08 C -ATOM 2093 CB ILE A 273 35.560 -96.271 26.473 1.00 9.18 C -ATOM 2094 CG1 ILE A 273 36.796 -96.354 27.358 1.00 9.83 C -ATOM 2095 CG2 ILE A 273 35.853 -96.952 25.151 1.00 8.85 C -ATOM 2096 CD1 ILE A 273 37.016 -97.699 27.977 1.00 11.13 C -ATOM 2097 C ILE A 273 34.167 -94.666 25.074 1.00 9.40 C -ATOM 2098 O ILE A 273 34.553 -94.235 23.950 1.00 9.34 O -ATOM 2099 N ASN A 274 32.903 -95.014 25.291 1.00 9.90 N -ATOM 2100 CA ASN A 274 31.879 -94.886 24.228 1.00 11.18 C -ATOM 2101 CB ASN A 274 30.594 -95.546 24.714 1.00 13.20 C -ATOM 2102 CG ASN A 274 30.752 -97.055 24.699 1.00 19.24 C -ATOM 2103 OD1 ASN A 274 31.659 -97.591 24.047 1.00 25.42 O -ATOM 2104 ND2 ASN A 274 29.892 -97.764 25.405 1.00 25.50 N -ATOM 2105 C ASN A 274 31.724 -93.434 23.801 1.00 11.70 C -ATOM 2106 O ASN A 274 31.315 -93.188 22.640 1.00 12.88 O -ATOM 2107 N GLN A 275 31.940 -92.498 24.730 1.00 10.76 N -ATOM 2108 CA GLN A 275 31.794 -91.032 24.505 1.00 10.37 C -ATOM 2109 CB GLN A 275 31.337 -90.370 25.815 1.00 11.40 C -ATOM 2110 CG GLN A 275 29.955 -90.871 26.261 1.00 12.73 C -ATOM 2111 CD GLN A 275 29.464 -90.451 27.633 1.00 13.64 C -ATOM 2112 OE1 GLN A 275 30.204 -90.080 28.560 1.00 13.21 O -ATOM 2113 NE2 GLN A 275 28.150 -90.504 27.803 1.00 14.23 N -ATOM 2114 C GLN A 275 33.086 -90.464 23.883 1.00 9.53 C -ATOM 2115 O GLN A 275 33.137 -89.227 23.710 1.00 10.52 O -ATOM 2116 N LYS A 276 34.039 -91.295 23.521 1.00 8.82 N -ATOM 2117 CA LYS A 276 35.283 -90.892 22.831 1.00 8.05 C -ATOM 2118 CB LYS A 276 34.981 -90.362 21.433 1.00 9.33 C -ATOM 2119 CG LYS A 276 34.235 -91.331 20.541 1.00 10.59 C -ATOM 2120 CD LYS A 276 34.950 -92.626 20.255 1.00 13.26 C -ATOM 2121 CE LYS A 276 34.045 -93.551 19.444 1.00 15.92 C -ATOM 2122 NZ LYS A 276 34.652 -94.874 19.226 1.00 18.04 N -ATOM 2123 C LYS A 276 36.083 -89.883 23.648 1.00 7.11 C -ATOM 2124 O LYS A 276 36.709 -88.941 23.047 1.00 8.05 O -ATOM 2125 N ILE A 277 36.168 -90.096 24.942 1.00 7.61 N -ATOM 2126 CA ILE A 277 36.974 -89.241 25.851 1.00 7.04 C -ATOM 2127 CB ILE A 277 36.268 -89.069 27.187 1.00 7.42 C -ATOM 2128 CG1 ILE A 277 34.944 -88.355 27.000 1.00 7.47 C -ATOM 2129 CG2 ILE A 277 37.132 -88.338 28.168 1.00 6.93 C -ATOM 2130 CD1 ILE A 277 33.951 -88.568 28.119 1.00 7.96 C -ATOM 2131 C ILE A 277 38.349 -89.873 26.021 1.00 7.25 C -ATOM 2132 O ILE A 277 38.458 -91.010 26.485 1.00 7.55 O -ATOM 2133 N ASN A 278 39.413 -89.141 25.712 1.00 6.61 N -ATOM 2134 CA ASN A 278 40.760 -89.684 25.891 1.00 6.75 C -ATOM 2135 CB ASN A 278 41.808 -88.819 25.205 1.00 6.37 C -ATOM 2136 CG ASN A 278 41.802 -88.997 23.700 1.00 6.86 C -ATOM 2137 OD1 ASN A 278 42.250 -90.031 23.168 1.00 8.13 O -ATOM 2138 ND2 ASN A 278 41.339 -87.984 23.020 1.00 5.81 N -ATOM 2139 C ASN A 278 41.131 -89.790 27.370 1.00 6.56 C -ATOM 2140 O ASN A 278 41.728 -90.803 27.752 1.00 7.46 O -ATOM 2141 N LEU A 279 40.872 -88.741 28.154 1.00 6.05 N -ATOM 2142 CA LEU A 279 41.318 -88.683 29.556 1.00 6.43 C -ATOM 2143 CB LEU A 279 42.390 -87.604 29.767 1.00 6.82 C -ATOM 2144 CG LEU A 279 43.535 -87.608 28.754 1.00 6.72 C -ATOM 2145 CD1 LEU A 279 44.454 -86.387 28.951 1.00 7.22 C -ATOM 2146 CD2 LEU A 279 44.387 -88.869 28.854 1.00 7.43 C -ATOM 2147 C LEU A 279 40.115 -88.421 30.437 1.00 6.67 C -ATOM 2148 O LEU A 279 39.576 -87.307 30.399 1.00 7.42 O -ATOM 2149 N SER A 280 39.654 -89.435 31.158 1.00 6.48 N -ATOM 2150 CA SER A 280 38.510 -89.342 32.089 1.00 7.02 C -ATOM 2151 CB SER A 280 37.643 -90.565 31.942 1.00 7.97 C -ATOM 2152 OG SER A 280 36.976 -90.588 30.693 1.00 9.05 O -ATOM 2153 C SER A 280 39.025 -89.156 33.505 1.00 7.05 C -ATOM 2154 O SER A 280 39.619 -90.095 34.076 1.00 7.09 O -ATOM 2155 N ALA A 281 38.887 -87.946 34.041 1.00 7.66 N -ATOM 2156 CA ALA A 281 39.500 -87.590 35.337 1.00 7.43 C -ATOM 2157 CB ALA A 281 39.762 -86.110 35.388 1.00 7.57 C -ATOM 2158 C ALA A 281 38.580 -87.999 36.473 1.00 7.37 C -ATOM 2159 O ALA A 281 37.432 -87.532 36.522 1.00 9.32 O -ATOM 2160 N TYR A 282 39.102 -88.819 37.365 1.00 7.59 N -ATOM 2161 CA TYR A 282 38.376 -89.303 38.549 1.00 7.62 C -ATOM 2162 CB TYR A 282 38.155 -90.812 38.474 1.00 8.53 C -ATOM 2163 CG TYR A 282 37.265 -91.313 37.374 1.00 8.00 C -ATOM 2164 CD2 TYR A 282 35.922 -91.580 37.603 1.00 8.73 C -ATOM 2165 CE2 TYR A 282 35.094 -92.075 36.617 1.00 9.20 C -ATOM 2166 CZ TYR A 282 35.650 -92.400 35.403 1.00 9.56 C -ATOM 2167 OH TYR A 282 34.858 -92.950 34.428 1.00 10.66 O -ATOM 2168 CE1 TYR A 282 36.994 -92.191 35.150 1.00 8.85 C -ATOM 2169 CD1 TYR A 282 37.786 -91.652 36.139 1.00 8.55 C -ATOM 2170 C TYR A 282 39.163 -89.026 39.817 1.00 7.59 C -ATOM 2171 O TYR A 282 40.316 -89.298 39.914 1.00 7.88 O -ATOM 2172 N TYR A 283 38.446 -88.529 40.825 1.00 8.21 N -ATOM 2173 CA TYR A 283 39.003 -88.412 42.192 1.00 8.81 C -ATOM 2174 CB TYR A 283 37.965 -87.818 43.136 1.00 8.57 C -ATOM 2175 CG TYR A 283 37.675 -86.366 42.864 1.00 9.57 C -ATOM 2176 CD1 TYR A 283 38.657 -85.391 42.914 1.00 10.16 C -ATOM 2177 CE1 TYR A 283 38.367 -84.048 42.711 1.00 9.37 C -ATOM 2178 CZ TYR A 283 37.063 -83.678 42.419 1.00 10.85 C -ATOM 2179 OH TYR A 283 36.665 -82.391 42.238 1.00 11.87 O -ATOM 2180 CE2 TYR A 283 36.072 -84.635 42.354 1.00 10.56 C -ATOM 2181 CD2 TYR A 283 36.391 -85.969 42.577 1.00 10.66 C -ATOM 2182 C TYR A 283 39.480 -89.793 42.663 1.00 8.32 C -ATOM 2183 O TYR A 283 40.561 -89.919 43.119 1.00 9.09 O -ATOM 2184 N ARG A 284 38.596 -90.780 42.539 1.00 9.32 N -ATOM 2185 CA ARG A 284 38.903 -92.182 42.939 1.00 9.75 C -ATOM 2186 CB ARG A 284 37.721 -92.786 43.698 1.00 11.93 C -ATOM 2187 CG ARG A 284 37.380 -92.016 44.967 1.00 14.95 C -ATOM 2188 CD ARG A 284 36.105 -92.449 45.675 1.00 20.45 C -ATOM 2189 NE ARG A 284 35.003 -92.600 44.737 1.00 27.87 N -ATOM 2190 CZ ARG A 284 34.618 -93.748 44.163 1.00 31.94 C -ATOM 2191 NH1 ARG A 284 35.234 -94.890 44.434 1.00 34.71 N -ATOM 2192 NH2 ARG A 284 33.600 -93.748 43.318 1.00 34.84 N -ATOM 2193 C ARG A 284 39.276 -92.969 41.690 1.00 9.07 C -ATOM 2194 O ARG A 284 38.482 -93.772 41.232 1.00 10.56 O -ATOM 2195 N PHE A 285 40.436 -92.694 41.141 1.00 8.58 N -ATOM 2196 CA PHE A 285 40.893 -93.281 39.861 1.00 8.67 C -ATOM 2197 CB PHE A 285 42.158 -92.567 39.384 1.00 8.93 C -ATOM 2198 CG PHE A 285 43.202 -92.418 40.458 1.00 8.68 C -ATOM 2199 CD1 PHE A 285 44.144 -93.407 40.706 1.00 9.00 C -ATOM 2200 CE1 PHE A 285 45.080 -93.265 41.725 1.00 9.82 C -ATOM 2201 CZ PHE A 285 45.065 -92.170 42.551 1.00 9.65 C -ATOM 2202 CD2 PHE A 285 43.247 -91.264 41.250 1.00 9.42 C -ATOM 2203 CE2 PHE A 285 44.150 -91.161 42.301 1.00 9.93 C -ATOM 2204 C PHE A 285 41.073 -94.796 39.990 1.00 8.78 C -ATOM 2205 O PHE A 285 40.807 -95.495 39.042 1.00 9.06 O -ATOM 2206 N ALA A 286 41.617 -95.261 41.100 1.00 9.49 N -ATOM 2207 CA ALA A 286 41.986 -96.691 41.223 1.00 10.55 C -ATOM 2208 CB ALA A 286 42.742 -96.964 42.491 1.00 11.21 C -ATOM 2209 C ALA A 286 40.714 -97.548 41.155 1.00 10.33 C -ATOM 2210 O ALA A 286 40.801 -98.714 40.664 1.00 11.59 O -ATOM 2211 N ALA A 287 39.558 -97.043 41.559 1.00 10.19 N -ATOM 2212 CA ALA A 287 38.254 -97.749 41.565 1.00 11.45 C -ATOM 2213 CB ALA A 287 37.256 -96.982 42.417 1.00 12.03 C -ATOM 2214 C ALA A 287 37.694 -97.941 40.166 1.00 11.34 C -ATOM 2215 O ALA A 287 36.717 -98.683 40.010 1.00 13.07 O -ATOM 2216 N GLN A 288 38.222 -97.234 39.168 1.00 10.88 N -ATOM 2217 CA GLN A 288 37.718 -97.296 37.803 1.00 10.56 C -ATOM 2218 CB GLN A 288 37.834 -95.933 37.137 1.00 10.95 C -ATOM 2219 CG GLN A 288 37.344 -94.778 38.025 1.00 11.25 C -ATOM 2220 CD GLN A 288 35.982 -94.929 38.662 1.00 12.43 C -ATOM 2221 OE1 GLN A 288 35.046 -95.371 37.999 1.00 12.73 O -ATOM 2222 NE2 GLN A 288 35.835 -94.472 39.910 1.00 13.21 N -ATOM 2223 C GLN A 288 38.497 -98.326 37.002 1.00 10.99 C -ATOM 2224 O GLN A 288 39.712 -98.430 37.151 1.00 12.22 O -ATOM 2225 N SER A 289 37.759 -99.000 36.144 1.00 11.64 N -ATOM 2226 CA SER A 289 38.324 -99.905 35.124 1.00 13.03 C -ATOM 2227 CB SER A 289 38.920-101.126 35.732 1.00 14.82 C -ATOM 2228 OG SER A 289 37.874-102.031 36.060 1.00 17.31 O -ATOM 2229 C SER A 289 37.218-100.277 34.152 1.00 12.56 C -ATOM 2230 O SER A 289 36.040-100.116 34.459 1.00 12.75 O -ATOM 2231 N ALA A 290 37.649-100.798 33.011 1.00 13.36 N -ATOM 2232 CA ALA A 290 36.788-101.501 32.055 1.00 15.37 C -ATOM 2233 CB ALA A 290 36.643-100.742 30.781 1.00 15.99 C -ATOM 2234 C ALA A 290 37.471-102.841 31.825 1.00 14.76 C -ATOM 2235 O ALA A 290 38.564-102.864 31.268 1.00 14.56 O -ATOM 2236 N GLY A 291 36.936-103.925 32.385 1.00 18.29 N -ATOM 2237 CA GLY A 291 37.489-105.267 32.135 1.00 20.25 C -ATOM 2238 C GLY A 291 38.916-105.368 32.650 1.00 19.80 C -ATOM 2239 O GLY A 291 39.751-105.989 31.976 1.00 20.45 O -ATOM 2240 N GLY A 292 39.195-104.713 33.776 1.00 17.34 N -ATOM 2241 CA GLY A 292 40.513-104.682 34.443 1.00 15.45 C -ATOM 2242 C GLY A 292 41.519-103.749 33.784 1.00 14.25 C -ATOM 2243 O GLY A 292 42.621-103.654 34.325 1.00 16.83 O -ATOM 2244 N TYR A 293 41.103-102.984 32.772 1.00 12.06 N -ATOM 2245 CA TYR A 293 41.936-101.967 32.084 1.00 10.29 C -ATOM 2246 CB TYR A 293 41.822-102.079 30.577 1.00 10.68 C -ATOM 2247 CG TYR A 293 42.301-103.409 30.051 1.00 11.26 C -ATOM 2248 CD1 TYR A 293 43.537-103.920 30.400 1.00 10.95 C -ATOM 2249 CE1 TYR A 293 44.006-105.129 29.883 1.00 13.06 C -ATOM 2250 CZ TYR A 293 43.209-105.853 29.018 1.00 12.97 C -ATOM 2251 OH TYR A 293 43.636-107.056 28.471 1.00 15.69 O -ATOM 2252 CE2 TYR A 293 41.967-105.369 28.651 1.00 14.22 C -ATOM 2253 CD2 TYR A 293 41.522-104.152 29.166 1.00 13.26 C -ATOM 2254 C TYR A 293 41.562-100.568 32.537 1.00 8.97 C -ATOM 2255 O TYR A 293 40.391-100.232 32.560 1.00 10.42 O -ATOM 2256 N ARG A 294 42.603 -99.759 32.767 1.00 9.24 N -ATOM 2257 CA ARG A 294 42.470 -98.278 32.898 1.00 9.27 C -ATOM 2258 CB ARG A 294 43.083 -97.760 34.194 1.00 9.26 C -ATOM 2259 CG ARG A 294 42.563 -98.417 35.450 1.00 9.75 C -ATOM 2260 CD ARG A 294 42.831 -97.571 36.695 1.00 9.98 C -ATOM 2261 NE ARG A 294 42.563 -98.361 37.904 1.00 12.41 N -ATOM 2262 CZ ARG A 294 43.402 -99.269 38.407 1.00 12.46 C -ATOM 2263 NH1 ARG A 294 44.592 -99.478 37.865 1.00 11.33 N -ATOM 2264 NH2 ARG A 294 43.033 -99.972 39.463 1.00 12.64 N -ATOM 2265 C ARG A 294 43.032 -97.557 31.681 1.00 8.55 C -ATOM 2266 O ARG A 294 42.841 -96.324 31.619 1.00 8.37 O -ATOM 2267 N ILE A 295 43.687 -98.278 30.762 1.00 8.21 N -ATOM 2268 CA ILE A 295 44.222 -97.664 29.518 1.00 8.33 C -ATOM 2269 CB ILE A 295 45.716 -97.367 29.653 1.00 8.51 C -ATOM 2270 CG1 ILE A 295 46.003 -96.341 30.752 1.00 9.29 C -ATOM 2271 CG2 ILE A 295 46.291 -96.907 28.327 1.00 8.04 C -ATOM 2272 CD1 ILE A 295 47.431 -95.984 30.896 1.00 10.13 C -ATOM 2273 C ILE A 295 43.958 -98.663 28.405 1.00 8.36 C -ATOM 2274 O ILE A 295 44.279 -99.850 28.559 1.00 9.77 O -ATOM 2275 N ARG A 296 43.272 -98.245 27.383 1.00 8.12 N -ATOM 2276 CA ARG A 296 42.958 -99.174 26.282 1.00 8.44 C -ATOM 2277 CB ARG A 296 41.879-100.159 26.700 1.00 10.29 C -ATOM 2278 CG ARG A 296 40.588 -99.471 27.112 1.00 14.36 C -ATOM 2279 CD ARG A 296 39.467-100.479 27.171 1.00 17.05 C -ATOM 2280 NE ARG A 296 38.367-100.182 26.255 1.00 22.29 N -ATOM 2281 CZ ARG A 296 37.985-100.876 25.193 1.00 26.96 C -ATOM 2282 NH1 ARG A 296 38.687-101.916 24.762 1.00 29.17 N -ATOM 2283 NH2 ARG A 296 36.920-100.479 24.515 1.00 26.80 N -ATOM 2284 C ARG A 296 42.527 -98.366 25.074 1.00 8.34 C -ATOM 2285 O ARG A 296 42.073 -97.213 25.163 1.00 7.88 O -ATOM 2286 N PRO A 297 42.621 -98.952 23.867 1.00 8.48 N -ATOM 2287 CA PRO A 297 42.066 -98.305 22.690 1.00 8.80 C -ATOM 2288 CB PRO A 297 42.354 -99.301 21.550 1.00 9.59 C -ATOM 2289 CG PRO A 297 43.473-100.125 22.080 1.00 9.54 C -ATOM 2290 CD PRO A 297 43.250-100.256 23.571 1.00 9.33 C -ATOM 2291 C PRO A 297 40.560 -98.116 22.822 1.00 8.81 C -ATOM 2292 O PRO A 297 39.898 -98.900 23.512 1.00 10.34 O -ATOM 2293 N PHE A 298 40.026 -97.093 22.179 1.00 9.51 N -ATOM 2294 CA PHE A 298 38.565 -96.899 22.069 1.00 10.73 C -ATOM 2295 CB PHE A 298 38.228 -95.694 21.200 1.00 10.71 C -ATOM 2296 CG PHE A 298 38.547 -94.375 21.851 1.00 9.67 C -ATOM 2297 CD1 PHE A 298 37.898 -93.943 22.998 1.00 9.78 C -ATOM 2298 CE1 PHE A 298 38.212 -92.718 23.569 1.00 9.87 C -ATOM 2299 CZ PHE A 298 39.200 -91.939 23.008 1.00 10.45 C -ATOM 2300 CD2 PHE A 298 39.557 -93.595 21.329 1.00 10.36 C -ATOM 2301 CE2 PHE A 298 39.846 -92.358 21.866 1.00 10.12 C -ATOM 2302 C PHE A 298 37.911 -98.180 21.545 1.00 12.51 C -ATOM 2303 O PHE A 298 38.433 -98.843 20.671 1.00 14.35 O -TER 2304 PHE A 298 -ATOM 2305 N UNK B 2 59.511 -35.318 3.293 1.00 22.22 N -ATOM 2306 CA UNK B 2 60.577 -35.466 2.249 1.00 19.50 C -ATOM 2307 C UNK B 2 60.034 -34.957 0.910 1.00 17.30 C -ATOM 2308 O UNK B 2 60.141 -33.747 0.683 1.00 17.80 O -ATOM 2309 CB UNK B 2 61.057 -36.913 2.132 1.00 24.16 C -ATOM 2310 N GLU B 3 59.346 -35.777 0.103 1.00 14.66 N -ATOM 2311 CA GLU B 3 58.775 -35.305 -1.188 1.00 14.16 C -ATOM 2312 CB GLU B 3 58.371 -36.480 -2.080 1.00 12.43 C -ATOM 2313 CG GLU B 3 57.077 -37.158 -1.676 1.00 12.33 C -ATOM 2314 CD GLU B 3 56.465 -38.035 -2.775 1.00 11.12 C -ATOM 2315 OE1 GLU B 3 56.678 -37.763 -4.002 1.00 13.46 O -ATOM 2316 OE2 GLU B 3 55.819 -38.960 -2.449 1.00 11.74 O -ATOM 2317 C GLU B 3 57.574 -34.387 -0.906 1.00 14.32 C -ATOM 2318 O GLU B 3 57.028 -34.406 0.196 1.00 13.62 O -ATOM 2319 N SER B 4 57.169 -33.581 -1.885 1.00 15.76 N -ATOM 2320 CA SER B 4 56.090 -32.574 -1.693 1.00 16.94 C -ATOM 2321 CB SER B 4 56.663 -31.259 -1.164 1.00 19.49 C -ATOM 2322 OG SER B 4 57.658 -30.765 -2.043 1.00 20.28 O -ATOM 2323 C SER B 4 55.293 -32.369 -2.969 1.00 16.47 C -ATOM 2324 O SER B 4 54.943 -31.240 -3.260 1.00 15.61 O -ATOM 2325 N PRO B 5 54.831 -33.416 -3.691 1.00 13.29 N -ATOM 2326 CA PRO B 5 53.902 -33.187 -4.788 1.00 13.38 C -ATOM 2327 CB PRO B 5 53.681 -34.572 -5.405 1.00 14.08 C -ATOM 2328 CG PRO B 5 53.836 -35.456 -4.171 1.00 12.84 C -ATOM 2329 CD PRO B 5 54.964 -34.844 -3.371 1.00 13.36 C -ATOM 2330 C PRO B 5 52.600 -32.605 -4.224 1.00 12.07 C -ATOM 2331 O PRO B 5 52.244 -32.895 -3.052 1.00 11.65 O -ATOM 2332 N ALA B 6 51.906 -31.818 -5.029 1.00 12.06 N -ATOM 2333 CA ALA B 6 50.744 -31.030 -4.584 1.00 11.66 C -ATOM 2334 CB ALA B 6 50.216 -30.172 -5.711 1.00 11.91 C -ATOM 2335 C ALA B 6 49.640 -31.941 -4.038 1.00 10.80 C -ATOM 2336 O ALA B 6 48.896 -31.491 -3.175 1.00 10.94 O -ATOM 2337 N PHE B 7 49.504 -33.168 -4.527 1.00 10.51 N -ATOM 2338 CA PHE B 7 48.330 -33.983 -4.150 1.00 9.34 C -ATOM 2339 CB PHE B 7 48.087 -35.110 -5.147 1.00 9.65 C -ATOM 2340 CG PHE B 7 49.093 -36.243 -5.184 1.00 8.89 C -ATOM 2341 CD1 PHE B 7 49.014 -37.276 -4.241 1.00 8.72 C -ATOM 2342 CE1 PHE B 7 49.920 -38.318 -4.293 1.00 9.13 C -ATOM 2343 CZ PHE B 7 50.900 -38.356 -5.267 1.00 9.35 C -ATOM 2344 CD2 PHE B 7 50.128 -36.277 -6.127 1.00 9.89 C -ATOM 2345 CE2 PHE B 7 51.025 -37.330 -6.162 1.00 10.43 C -ATOM 2346 C PHE B 7 48.453 -34.493 -2.711 1.00 8.70 C -ATOM 2347 O PHE B 7 47.475 -35.072 -2.237 1.00 9.54 O -ATOM 2348 N ILE B 8 49.596 -34.399 -2.053 1.00 8.48 N -ATOM 2349 CA ILE B 8 49.733 -34.902 -0.658 1.00 9.22 C -ATOM 2350 CB ILE B 8 51.113 -35.529 -0.430 1.00 8.83 C -ATOM 2351 CG1 ILE B 8 51.308 -36.687 -1.412 1.00 8.99 C -ATOM 2352 CG2 ILE B 8 51.238 -35.981 1.036 1.00 10.15 C -ATOM 2353 CD1 ILE B 8 52.591 -37.425 -1.274 1.00 9.68 C -ATOM 2354 C ILE B 8 49.491 -33.770 0.340 1.00 9.35 C -ATOM 2355 O ILE B 8 50.202 -32.759 0.357 1.00 10.81 O -ATOM 2356 N ASP B 9 48.504 -33.941 1.183 1.00 9.53 N -ATOM 2357 CA ASP B 9 48.230 -32.984 2.258 1.00 10.64 C -ATOM 2358 CB ASP B 9 46.942 -33.412 2.945 1.00 11.87 C -ATOM 2359 CG ASP B 9 46.483 -32.523 4.065 1.00 13.43 C -ATOM 2360 OD1 ASP B 9 47.318 -31.798 4.632 1.00 12.55 O -ATOM 2361 OD2 ASP B 9 45.264 -32.657 4.375 1.00 15.71 O -ATOM 2362 C ASP B 9 49.430 -33.026 3.176 1.00 11.10 C -ATOM 2363 O ASP B 9 49.759 -34.088 3.728 1.00 10.55 O -ATOM 2364 N PRO B 10 50.122 -31.908 3.433 1.00 11.34 N -ATOM 2365 CA PRO B 10 51.295 -31.973 4.285 1.00 11.28 C -ATOM 2366 CB PRO B 10 51.802 -30.516 4.319 1.00 13.21 C -ATOM 2367 CG PRO B 10 51.315 -29.957 3.002 1.00 14.60 C -ATOM 2368 CD PRO B 10 49.925 -30.558 2.861 1.00 12.51 C -ATOM 2369 C PRO B 10 51.059 -32.491 5.710 1.00 13.26 C -ATOM 2370 O PRO B 10 51.994 -32.956 6.316 1.00 13.29 O -ATOM 2371 N ALA B 11 49.833 -32.410 6.224 1.00 12.87 N -ATOM 2372 CA ALA B 11 49.522 -32.952 7.576 1.00 13.81 C -ATOM 2373 CB ALA B 11 48.160 -32.516 8.025 1.00 14.70 C -ATOM 2374 C ALA B 11 49.622 -34.484 7.563 1.00 13.95 C -ATOM 2375 O ALA B 11 49.578 -35.085 8.638 1.00 17.39 O -ATOM 2376 N SER B 12 49.688 -35.115 6.397 1.00 12.61 N -ATOM 2377 CA SER B 12 49.810 -36.589 6.243 1.00 12.37 C -ATOM 2378 CB SER B 12 49.780 -36.967 4.777 1.00 13.18 C -ATOM 2379 OG SER B 12 48.566 -36.597 4.156 1.00 13.82 O -ATOM 2380 C SER B 12 51.119 -37.097 6.848 1.00 11.66 C -ATOM 2381 O SER B 12 51.154 -38.238 7.390 1.00 12.33 O -ATOM 2382 N TRP B 13 52.180 -36.300 6.857 1.00 12.24 N -ATOM 2383 CA TRP B 13 53.538 -36.880 7.009 1.00 11.89 C -ATOM 2384 CB TRP B 13 54.613 -35.835 6.653 1.00 11.87 C -ATOM 2385 CG TRP B 13 54.737 -35.688 5.173 1.00 12.86 C -ATOM 2386 CD1 TRP B 13 54.236 -34.709 4.363 1.00 14.09 C -ATOM 2387 NE1 TRP B 13 54.479 -35.000 3.053 1.00 13.15 N -ATOM 2388 CE2 TRP B 13 55.126 -36.210 2.966 1.00 13.03 C -ATOM 2389 CD2 TRP B 13 55.260 -36.694 4.288 1.00 12.00 C -ATOM 2390 CE3 TRP B 13 55.868 -37.946 4.481 1.00 11.36 C -ATOM 2391 CZ3 TRP B 13 56.356 -38.651 3.399 1.00 11.82 C -ATOM 2392 CH2 TRP B 13 56.193 -38.156 2.105 1.00 11.96 C -ATOM 2393 CZ2 TRP B 13 55.597 -36.930 1.863 1.00 12.21 C -ATOM 2394 C TRP B 13 53.711 -37.429 8.413 1.00 11.24 C -ATOM 2395 O TRP B 13 54.376 -38.461 8.569 1.00 12.12 O -ATOM 2396 N ASN B 14 53.139 -36.739 9.396 1.00 11.38 N -ATOM 2397 CA ASN B 14 53.305 -37.123 10.804 1.00 11.76 C -ATOM 2398 CB ASN B 14 53.529 -35.904 11.679 1.00 13.87 C -ATOM 2399 CG ASN B 14 54.895 -35.306 11.437 1.00 15.89 C -ATOM 2400 OD1 ASN B 14 55.860 -36.011 11.132 1.00 16.64 O -ATOM 2401 ND2 ASN B 14 55.011 -34.010 11.636 1.00 17.58 N -ATOM 2402 C ASN B 14 52.125 -37.964 11.292 1.00 10.21 C -ATOM 2403 O ASN B 14 52.014 -38.175 12.493 1.00 12.10 O -ATOM 2404 N THR B 15 51.346 -38.520 10.368 1.00 9.41 N -ATOM 2405 CA THR B 15 50.182 -39.357 10.725 1.00 8.26 C -ATOM 2406 CB THR B 15 49.010 -39.014 9.822 1.00 8.75 C -ATOM 2407 OG1 THR B 15 48.712 -37.611 9.860 1.00 9.80 O -ATOM 2408 CG2 THR B 15 47.772 -39.791 10.173 1.00 8.46 C -ATOM 2409 C THR B 15 50.569 -40.814 10.549 1.00 8.57 C -ATOM 2410 O THR B 15 51.162 -41.179 9.537 1.00 8.41 O -ATOM 2411 N PRO B 16 50.246 -41.675 11.538 1.00 7.65 N -ATOM 2412 CA PRO B 16 50.384 -43.128 11.354 1.00 7.70 C -ATOM 2413 CB PRO B 16 49.648 -43.686 12.570 1.00 7.65 C -ATOM 2414 CG PRO B 16 49.859 -42.607 13.611 1.00 9.04 C -ATOM 2415 CD PRO B 16 49.684 -41.317 12.855 1.00 9.51 C -ATOM 2416 C PRO B 16 49.755 -43.524 10.019 1.00 7.40 C -ATOM 2417 O PRO B 16 48.704 -42.997 9.661 1.00 7.08 O -ATOM 2418 N PHE B 17 50.353 -44.489 9.332 1.00 6.36 N -ATOM 2419 CA PHE B 17 49.887 -44.870 7.999 1.00 6.48 C -ATOM 2420 CB PHE B 17 50.738 -46.028 7.495 1.00 6.61 C -ATOM 2421 CG PHE B 17 50.452 -46.368 6.055 1.00 6.95 C -ATOM 2422 CD1 PHE B 17 50.851 -45.527 5.013 1.00 6.73 C -ATOM 2423 CE1 PHE B 17 50.611 -45.897 3.691 1.00 7.67 C -ATOM 2424 CZ PHE B 17 50.004 -47.107 3.395 1.00 7.40 C -ATOM 2425 CD2 PHE B 17 49.903 -47.594 5.732 1.00 7.05 C -ATOM 2426 CE2 PHE B 17 49.641 -47.947 4.419 1.00 7.43 C -ATOM 2427 C PHE B 17 48.401 -45.276 8.048 1.00 6.12 C -ATOM 2428 O PHE B 17 47.672 -44.988 7.049 1.00 6.93 O -ATOM 2429 N ASN B 18 47.956 -45.954 9.120 1.00 5.84 N -ATOM 2430 CA ASN B 18 46.558 -46.415 9.284 1.00 6.38 C -ATOM 2431 CB ASN B 18 46.446 -47.428 10.416 1.00 7.52 C -ATOM 2432 CG ASN B 18 46.981 -46.885 11.713 1.00 7.12 C -ATOM 2433 OD1 ASN B 18 48.174 -46.556 11.837 1.00 7.69 O -ATOM 2434 ND2 ASN B 18 46.109 -46.789 12.702 1.00 9.38 N -ATOM 2435 C ASN B 18 45.596 -45.240 9.477 1.00 6.08 C -ATOM 2436 O ASN B 18 44.383 -45.439 9.325 1.00 7.04 O -ATOM 2437 N GLY B 19 46.121 -44.054 9.754 1.00 6.44 N -ATOM 2438 CA GLY B 19 45.281 -42.861 9.930 1.00 6.84 C -ATOM 2439 C GLY B 19 45.188 -42.050 8.654 1.00 7.04 C -ATOM 2440 O GLY B 19 44.692 -40.914 8.723 1.00 7.51 O -ATOM 2441 N ILE B 20 45.723 -42.537 7.549 1.00 6.46 N -ATOM 2442 CA ILE B 20 45.796 -41.763 6.286 1.00 7.10 C -ATOM 2443 CB ILE B 20 47.232 -41.755 5.723 1.00 7.53 C -ATOM 2444 CG1 ILE B 20 48.198 -41.125 6.724 1.00 7.62 C -ATOM 2445 CG2 ILE B 20 47.260 -41.077 4.364 1.00 8.17 C -ATOM 2446 CD1 ILE B 20 49.655 -41.174 6.288 1.00 7.55 C -ATOM 2447 C ILE B 20 44.797 -42.355 5.297 1.00 6.79 C -ATOM 2448 O ILE B 20 44.785 -43.572 5.091 1.00 7.01 O -ATOM 2449 N ALA B 21 44.029 -41.495 4.632 1.00 7.16 N -ATOM 2450 CA ALA B 21 43.154 -41.823 3.503 1.00 7.20 C -ATOM 2451 CB ALA B 21 41.879 -41.052 3.623 1.00 7.18 C -ATOM 2452 C ALA B 21 43.837 -41.488 2.182 1.00 6.30 C -ATOM 2453 O ALA B 21 44.474 -40.418 2.077 1.00 7.40 O -ATOM 2454 N GLN B 22 43.616 -42.343 1.201 1.00 6.25 N -ATOM 2455 CA GLN B 22 44.247 -42.198 -0.101 1.00 6.67 C -ATOM 2456 CB GLN B 22 45.381 -43.203 -0.312 1.00 7.20 C -ATOM 2457 CG GLN B 22 46.517 -43.118 0.715 1.00 8.54 C -ATOM 2458 CD GLN B 22 47.706 -43.965 0.308 1.00 8.45 C -ATOM 2459 OE1 GLN B 22 48.120 -43.996 -0.859 1.00 10.11 O -ATOM 2460 NE2 GLN B 22 48.235 -44.720 1.259 1.00 9.28 N -ATOM 2461 C GLN B 22 43.248 -42.517 -1.199 1.00 6.94 C -ATOM 2462 O GLN B 22 42.464 -43.472 -1.072 1.00 6.83 O -ATOM 2463 N VAL B 23 43.401 -41.830 -2.318 1.00 7.19 N -ATOM 2464 CA VAL B 23 42.901 -42.291 -3.622 1.00 7.10 C -ATOM 2465 CB VAL B 23 42.838 -41.087 -4.593 1.00 7.76 C -ATOM 2466 CG1 VAL B 23 42.392 -41.530 -5.985 1.00 8.33 C -ATOM 2467 CG2 VAL B 23 41.923 -40.011 -4.047 1.00 7.76 C -ATOM 2468 C VAL B 23 43.883 -43.329 -4.121 1.00 7.03 C -ATOM 2469 O VAL B 23 45.116 -43.057 -4.174 1.00 8.45 O -ATOM 2470 N ALA B 24 43.361 -44.472 -4.482 1.00 7.19 N -ATOM 2471 CA ALA B 24 44.130 -45.569 -5.076 1.00 7.00 C -ATOM 2472 CB ALA B 24 43.903 -46.809 -4.245 1.00 7.07 C -ATOM 2473 C ALA B 24 43.642 -45.784 -6.494 1.00 7.51 C -ATOM 2474 O ALA B 24 42.504 -45.424 -6.818 1.00 8.37 O -ATOM 2475 N CYS B 25 44.465 -46.346 -7.364 1.00 8.02 N -ATOM 2476 CA CYS B 25 43.960 -46.775 -8.674 1.00 8.75 C -ATOM 2477 CB CYS B 25 45.083 -46.938 -9.676 1.00 9.47 C -ATOM 2478 SG CYS B 25 45.810 -48.588 -9.708 1.00 10.72 S -ATOM 2479 C CYS B 25 43.115 -48.032 -8.556 1.00 8.93 C -ATOM 2480 O CYS B 25 43.180 -48.742 -7.539 1.00 12.20 O -ATOM 2481 N HIS B 26 42.388 -48.313 -9.605 1.00 8.63 N -ATOM 2482 CA HIS B 26 41.776 -49.624 -9.796 1.00 8.12 C -ATOM 2483 CB HIS B 26 40.247 -49.517 -9.747 1.00 8.15 C -ATOM 2484 CG HIS B 26 39.551 -50.835 -9.723 1.00 9.82 C -ATOM 2485 ND1 HIS B 26 38.199 -50.940 -9.482 1.00 9.99 N -ATOM 2486 CE1 HIS B 26 37.842 -52.198 -9.528 1.00 11.61 C -ATOM 2487 NE2 HIS B 26 38.939 -52.943 -9.733 1.00 13.28 N -ATOM 2488 CD2 HIS B 26 40.011 -52.096 -9.829 1.00 11.85 C -ATOM 2489 C HIS B 26 42.277 -50.154 -11.136 1.00 7.72 C -ATOM 2490 O HIS B 26 41.915 -49.569 -12.177 1.00 8.58 O -ATOM 2491 N ASN B 27 43.097 -51.207 -11.120 1.00 7.73 N -ATOM 2492 CA ASN B 27 43.549 -51.873 -12.370 1.00 8.40 C -ATOM 2493 CB ASN B 27 42.373 -52.515 -13.086 1.00 10.12 C -ATOM 2494 CG ASN B 27 41.885 -53.778 -12.393 1.00 11.43 C -ATOM 2495 OD1 ASN B 27 42.424 -54.236 -11.397 1.00 11.87 O -ATOM 2496 ND2 ASN B 27 40.830 -54.372 -12.918 1.00 18.86 N -ATOM 2497 C ASN B 27 44.272 -50.875 -13.272 1.00 7.63 C -ATOM 2498 O ASN B 27 44.166 -50.956 -14.487 1.00 8.27 O -ATOM 2499 N CYS B 28 45.118 -50.046 -12.702 1.00 8.51 N -ATOM 2500 CA CYS B 28 45.795 -48.977 -13.479 1.00 8.69 C -ATOM 2501 CB CYS B 28 46.262 -47.805 -12.646 1.00 9.28 C -ATOM 2502 SG CYS B 28 47.300 -48.290 -11.263 1.00 12.28 S -ATOM 2503 C CYS B 28 46.935 -49.529 -14.356 1.00 9.01 C -ATOM 2504 O CYS B 28 47.569 -48.729 -15.036 1.00 10.25 O -ATOM 2505 N TYR B 29 47.219 -50.812 -14.315 1.00 8.50 N -ATOM 2506 CA TYR B 29 48.105 -51.477 -15.303 1.00 8.98 C -ATOM 2507 CB TYR B 29 48.471 -52.880 -14.812 1.00 9.11 C -ATOM 2508 CG TYR B 29 47.302 -53.796 -14.823 1.00 8.45 C -ATOM 2509 CD1 TYR B 29 46.966 -54.530 -15.955 1.00 8.65 C -ATOM 2510 CE1 TYR B 29 45.841 -55.308 -15.996 1.00 9.37 C -ATOM 2511 CZ TYR B 29 45.076 -55.442 -14.861 1.00 9.14 C -ATOM 2512 OH TYR B 29 43.963 -56.212 -15.003 1.00 9.83 O -ATOM 2513 CE2 TYR B 29 45.410 -54.738 -13.708 1.00 8.21 C -ATOM 2514 CD2 TYR B 29 46.549 -53.961 -13.682 1.00 8.25 C -ATOM 2515 C TYR B 29 47.426 -51.570 -16.681 1.00 8.85 C -ATOM 2516 O TYR B 29 48.130 -51.906 -17.668 1.00 9.73 O -ATOM 2517 N GLU B 30 46.113 -51.386 -16.756 1.00 9.32 N -ATOM 2518 CA GLU B 30 45.397 -51.451 -18.056 1.00 10.14 C -ATOM 2519 CB GLU B 30 43.902 -51.696 -17.900 1.00 11.54 C -ATOM 2520 CG GLU B 30 43.554 -53.042 -17.305 1.00 11.27 C -ATOM 2521 CD GLU B 30 42.056 -53.311 -17.355 1.00 12.12 C -ATOM 2522 OE1 GLU B 30 41.527 -53.303 -18.443 1.00 14.09 O -ATOM 2523 OE2 GLU B 30 41.411 -53.452 -16.314 1.00 13.07 O -ATOM 2524 C GLU B 30 45.650 -50.171 -18.849 1.00 9.73 C -ATOM 2525 O GLU B 30 45.610 -49.071 -18.354 1.00 9.54 O -ATOM 2526 N LYS B 31 45.971 -50.354 -20.139 1.00 10.61 N -ATOM 2527 CA LYS B 31 46.213 -49.223 -21.072 1.00 12.02 C -ATOM 2528 CB LYS B 31 46.465 -49.749 -22.486 1.00 13.51 C -ATOM 2529 CG LYS B 31 47.654 -50.670 -22.641 1.00 16.18 C -ATOM 2530 CD LYS B 31 47.781 -51.126 -24.046 1.00 18.44 C -ATOM 2531 CE LYS B 31 48.815 -52.205 -24.147 1.00 21.82 C -ATOM 2532 NZ LYS B 31 50.117 -51.602 -23.811 1.00 23.56 N -ATOM 2533 C LYS B 31 45.022 -48.258 -21.093 1.00 12.24 C -ATOM 2534 O LYS B 31 45.265 -47.052 -21.246 1.00 13.26 O -ATOM 2535 N GLN B 32 43.803 -48.730 -20.900 1.00 11.61 N -ATOM 2536 CA GLN B 32 42.643 -47.796 -20.947 1.00 13.41 C -ATOM 2537 CB GLN B 32 41.307 -48.523 -20.989 1.00 13.43 C -ATOM 2538 CG GLN B 32 41.049 -49.380 -19.759 1.00 13.98 C -ATOM 2539 CD GLN B 32 39.674 -49.999 -19.740 1.00 15.28 C -ATOM 2540 OE1 GLN B 32 38.696 -49.338 -20.095 1.00 16.26 O -ATOM 2541 NE2 GLN B 32 39.562 -51.248 -19.325 1.00 15.57 N -ATOM 2542 C GLN B 32 42.683 -46.792 -19.775 1.00 12.03 C -ATOM 2543 O GLN B 32 41.923 -45.779 -19.805 1.00 13.55 O -ATOM 2544 N TYR B 33 43.466 -47.048 -18.720 1.00 11.07 N -ATOM 2545 CA TYR B 33 43.392 -46.211 -17.504 1.00 10.69 C -ATOM 2546 CB TYR B 33 43.144 -47.028 -16.233 1.00 10.85 C -ATOM 2547 CG TYR B 33 41.863 -47.818 -16.250 1.00 10.47 C -ATOM 2548 CD1 TYR B 33 40.619 -47.281 -16.601 1.00 11.31 C -ATOM 2549 CE1 TYR B 33 39.490 -48.081 -16.640 1.00 12.16 C -ATOM 2550 CZ TYR B 33 39.564 -49.426 -16.309 1.00 12.53 C -ATOM 2551 OH TYR B 33 38.451 -50.218 -16.344 1.00 15.85 O -ATOM 2552 CE2 TYR B 33 40.778 -49.961 -15.930 1.00 12.13 C -ATOM 2553 CD2 TYR B 33 41.901 -49.167 -15.924 1.00 11.21 C -ATOM 2554 C TYR B 33 44.629 -45.336 -17.363 1.00 10.43 C -ATOM 2555 O TYR B 33 44.609 -44.378 -16.596 1.00 11.56 O -ATOM 2556 N ALA B 34 45.735 -45.693 -18.020 1.00 10.86 N -ATOM 2557 CA ALA B 34 46.958 -44.878 -17.980 1.00 11.26 C -ATOM 2558 CB ALA B 34 47.685 -45.055 -16.665 1.00 10.93 C -ATOM 2559 C ALA B 34 47.854 -45.231 -19.164 1.00 11.19 C -ATOM 2560 O ALA B 34 47.887 -46.396 -19.582 1.00 11.29 O -ATOM 2561 N ASN B 35 48.597 -44.248 -19.639 1.00 12.64 N -ATOM 2562 CA ASN B 35 49.492 -44.457 -20.802 1.00 13.94 C -ATOM 2563 CB ASN B 35 50.083 -43.145 -21.326 1.00 17.42 C -ATOM 2564 CG ASN B 35 50.728 -43.261 -22.694 1.00 21.63 C -ATOM 2565 OD1 ASN B 35 50.143 -43.840 -23.608 1.00 24.81 O -ATOM 2566 ND2 ASN B 35 51.906 -42.672 -22.864 1.00 25.97 N -ATOM 2567 C ASN B 35 50.635 -45.387 -20.397 1.00 12.59 C -ATOM 2568 O ASN B 35 51.063 -46.185 -21.229 1.00 13.40 O -ATOM 2569 N THR B 36 51.174 -45.208 -19.203 1.00 11.74 N -ATOM 2570 CA THR B 36 52.287 -46.034 -18.681 1.00 11.03 C -ATOM 2571 CB THR B 36 53.673 -45.392 -18.775 1.00 11.84 C -ATOM 2572 OG1 THR B 36 53.655 -44.258 -17.910 1.00 12.77 O -ATOM 2573 CG2 THR B 36 54.050 -45.080 -20.211 1.00 13.25 C -ATOM 2574 C THR B 36 51.979 -46.326 -17.222 1.00 11.04 C -ATOM 2575 O THR B 36 51.315 -45.470 -16.535 1.00 10.22 O -ATOM 2576 N PHE B 37 52.430 -47.461 -16.719 1.00 10.70 N -ATOM 2577 CA PHE B 37 52.227 -47.797 -15.296 1.00 9.35 C -ATOM 2578 CB PHE B 37 52.725 -49.227 -15.070 1.00 8.90 C -ATOM 2579 CG PHE B 37 52.273 -49.845 -13.762 1.00 8.68 C -ATOM 2580 CD1 PHE B 37 50.940 -49.877 -13.380 1.00 9.67 C -ATOM 2581 CE1 PHE B 37 50.553 -50.481 -12.192 1.00 8.90 C -ATOM 2582 CZ PHE B 37 51.490 -51.018 -11.343 1.00 9.81 C -ATOM 2583 CD2 PHE B 37 53.201 -50.434 -12.907 1.00 10.53 C -ATOM 2584 CE2 PHE B 37 52.813 -50.973 -11.687 1.00 9.43 C -ATOM 2585 C PHE B 37 52.924 -46.769 -14.433 1.00 9.95 C -ATOM 2586 O PHE B 37 52.366 -46.291 -13.429 1.00 10.02 O -ATOM 2587 N SER B 38 54.126 -46.388 -14.827 1.00 9.96 N -ATOM 2588 CA SER B 38 54.925 -45.425 -14.023 1.00 11.55 C -ATOM 2589 CB SER B 38 56.308 -45.210 -14.627 1.00 12.21 C -ATOM 2590 OG SER B 38 57.115 -46.379 -14.619 1.00 17.00 O -ATOM 2591 C SER B 38 54.181 -44.084 -13.884 1.00 10.53 C -ATOM 2592 O SER B 38 54.305 -43.422 -12.834 1.00 10.92 O -ATOM 2593 N SER B 39 53.460 -43.664 -14.921 1.00 10.40 N -ATOM 2594 CA SER B 39 52.787 -42.338 -14.914 1.00 10.38 C -ATOM 2595 CB SER B 39 52.138 -41.976 -16.208 1.00 10.62 C -ATOM 2596 OG SER B 39 51.023 -42.778 -16.477 1.00 11.03 O -ATOM 2597 C SER B 39 51.753 -42.272 -13.791 1.00 9.80 C -ATOM 2598 O SER B 39 51.374 -41.193 -13.394 1.00 11.04 O -ATOM 2599 N VAL B 40 51.233 -43.398 -13.321 1.00 9.71 N -ATOM 2600 CA VAL B 40 50.178 -43.374 -12.268 1.00 9.69 C -ATOM 2601 CB VAL B 40 49.677 -44.802 -12.015 1.00 10.34 C -ATOM 2602 CG1 VAL B 40 48.639 -44.805 -10.911 1.00 11.23 C -ATOM 2603 CG2 VAL B 40 49.141 -45.467 -13.269 1.00 10.01 C -ATOM 2604 C VAL B 40 50.760 -42.720 -11.019 1.00 9.43 C -ATOM 2605 O VAL B 40 50.013 -42.027 -10.303 1.00 8.83 O -ATOM 2606 N LEU B 41 52.062 -42.875 -10.787 1.00 8.98 N -ATOM 2607 CA LEU B 41 52.704 -42.286 -9.599 1.00 9.14 C -ATOM 2608 CB LEU B 41 54.036 -43.000 -9.422 1.00 9.12 C -ATOM 2609 CG LEU B 41 53.870 -44.446 -8.953 1.00 8.72 C -ATOM 2610 CD1 LEU B 41 55.125 -45.238 -9.274 1.00 8.99 C -ATOM 2611 CD2 LEU B 41 53.582 -44.474 -7.461 1.00 10.01 C -ATOM 2612 C LEU B 41 52.846 -40.762 -9.745 1.00 8.49 C -ATOM 2613 O LEU B 41 53.220 -40.092 -8.819 1.00 9.35 O -ATOM 2614 N ASP B 42 52.429 -40.196 -10.876 1.00 8.91 N -ATOM 2615 CA ASP B 42 52.304 -38.724 -10.907 1.00 10.42 C -ATOM 2616 CB ASP B 42 52.154 -38.190 -12.329 1.00 11.07 C -ATOM 2617 CG ASP B 42 53.350 -38.413 -13.230 1.00 12.04 C -ATOM 2618 OD1 ASP B 42 54.429 -38.793 -12.747 1.00 12.31 O -ATOM 2619 OD2 ASP B 42 53.194 -38.164 -14.449 1.00 14.67 O -ATOM 2620 C ASP B 42 51.072 -38.287 -10.098 1.00 9.40 C -ATOM 2621 O ASP B 42 50.992 -37.115 -9.740 1.00 10.96 O -ATOM 2622 N SER B 43 50.134 -39.184 -9.829 1.00 9.60 N -ATOM 2623 CA SER B 43 48.815 -38.833 -9.255 1.00 9.03 C -ATOM 2624 CB SER B 43 47.762 -39.273 -10.199 1.00 8.79 C -ATOM 2625 OG SER B 43 47.784 -38.512 -11.397 1.00 11.08 O -ATOM 2626 C SER B 43 48.550 -39.471 -7.877 1.00 8.29 C -ATOM 2627 O SER B 43 47.846 -38.843 -7.096 1.00 7.73 O -ATOM 2628 N VAL B 44 48.988 -40.709 -7.657 1.00 7.80 N -ATOM 2629 CA VAL B 44 48.641 -41.449 -6.421 1.00 7.44 C -ATOM 2630 CB VAL B 44 47.453 -42.378 -6.669 1.00 8.13 C -ATOM 2631 CG1 VAL B 44 46.172 -41.631 -7.003 1.00 7.68 C -ATOM 2632 CG2 VAL B 44 47.718 -43.407 -7.745 1.00 8.55 C -ATOM 2633 C VAL B 44 49.848 -42.251 -5.962 1.00 6.95 C -ATOM 2634 O VAL B 44 50.888 -42.327 -6.681 1.00 7.39 O -ATOM 2635 N ARG B 45 49.715 -42.842 -4.787 1.00 6.52 N -ATOM 2636 CA ARG B 45 50.788 -43.697 -4.239 1.00 6.76 C -ATOM 2637 CB ARG B 45 51.310 -43.110 -2.932 1.00 6.61 C -ATOM 2638 C ARG B 45 50.308 -45.128 -4.013 1.00 6.55 C -ATOM 2639 O ARG B 45 51.040 -45.873 -3.347 1.00 6.94 O -ATOM 2640 N THR B 46 49.132 -45.488 -4.497 1.00 7.21 N -ATOM 2641 CA THR B 46 48.604 -46.852 -4.327 1.00 7.45 C -ATOM 2642 CB THR B 46 47.511 -46.932 -3.252 1.00 7.82 C -ATOM 2643 OG1 THR B 46 48.090 -46.553 -2.017 1.00 8.04 O -ATOM 2644 CG2 THR B 46 46.914 -48.319 -3.168 1.00 8.19 C -ATOM 2645 C THR B 46 48.175 -47.341 -5.697 1.00 7.75 C -ATOM 2646 O THR B 46 47.301 -46.722 -6.332 1.00 7.71 O -ATOM 2647 N LEU B 47 48.793 -48.422 -6.162 1.00 7.37 N -ATOM 2648 CA LEU B 47 48.683 -48.987 -7.531 1.00 9.32 C -ATOM 2649 CB LEU B 47 50.062 -49.003 -8.213 1.00 11.51 C -ATOM 2650 CG LEU B 47 50.715 -47.671 -8.563 1.00 15.20 C -ATOM 2651 CD1 LEU B 47 51.873 -47.870 -9.532 1.00 14.21 C -ATOM 2652 CD2 LEU B 47 49.774 -46.686 -9.153 1.00 19.23 C -ATOM 2653 C LEU B 47 48.158 -50.418 -7.466 1.00 8.88 C -ATOM 2654 O LEU B 47 47.943 -50.943 -6.327 1.00 11.47 O -ATOM 2655 N GLU B 48 47.971 -51.063 -8.606 1.00 7.96 N -ATOM 2656 CA GLU B 48 47.391 -52.418 -8.670 1.00 8.12 C -ATOM 2657 CB GLU B 48 45.847 -52.358 -8.697 1.00 8.97 C -ATOM 2658 CG GLU B 48 45.191 -53.724 -8.759 1.00 8.68 C -ATOM 2659 CD GLU B 48 43.685 -53.688 -8.501 1.00 9.00 C -ATOM 2660 OE1 GLU B 48 43.121 -52.586 -8.659 1.00 9.48 O -ATOM 2661 OE2 GLU B 48 43.095 -54.761 -8.236 1.00 9.86 O -ATOM 2662 C GLU B 48 47.924 -53.133 -9.894 1.00 7.98 C -ATOM 2663 O GLU B 48 47.980 -52.472 -10.990 1.00 8.70 O -ATOM 2664 N LEU B 49 48.244 -54.416 -9.723 1.00 7.79 N -ATOM 2665 CA LEU B 49 48.604 -55.359 -10.801 1.00 8.24 C -ATOM 2666 CB LEU B 49 50.086 -55.708 -10.698 1.00 8.59 C -ATOM 2667 CG LEU B 49 51.031 -54.559 -11.024 1.00 8.40 C -ATOM 2668 CD1 LEU B 49 52.397 -54.861 -10.485 1.00 9.00 C -ATOM 2669 CD2 LEU B 49 51.113 -54.292 -12.528 1.00 8.11 C -ATOM 2670 C LEU B 49 47.756 -56.613 -10.650 1.00 8.07 C -ATOM 2671 O LEU B 49 47.721 -57.237 -9.545 1.00 8.98 O -ATOM 2672 N ASP B 50 47.189 -57.098 -11.752 1.00 8.34 N -ATOM 2673 CA ASP B 50 46.490 -58.404 -11.809 1.00 8.21 C -ATOM 2674 CB ASP B 50 45.236 -58.298 -12.675 1.00 8.57 C -ATOM 2675 CG ASP B 50 44.083 -57.515 -12.042 1.00 9.78 C -ATOM 2676 OD1 ASP B 50 44.164 -57.109 -10.878 1.00 11.74 O -ATOM 2677 OD2 ASP B 50 43.083 -57.275 -12.769 1.00 11.15 O -ATOM 2678 C ASP B 50 47.456 -59.388 -12.448 1.00 8.73 C -ATOM 2679 O ASP B 50 48.011 -59.085 -13.531 1.00 8.95 O -ATOM 2680 N PHE B 51 47.710 -60.510 -11.814 1.00 7.52 N -ATOM 2681 CA PHE B 51 48.793 -61.388 -12.308 1.00 7.89 C -ATOM 2682 CB PHE B 51 50.061 -61.227 -11.482 1.00 8.21 C -ATOM 2683 CG PHE B 51 50.056 -61.764 -10.065 1.00 7.96 C -ATOM 2684 CD2 PHE B 51 50.634 -62.986 -9.789 1.00 7.98 C -ATOM 2685 CE2 PHE B 51 50.705 -63.447 -8.490 1.00 8.23 C -ATOM 2686 CZ PHE B 51 50.139 -62.742 -7.427 1.00 8.26 C -ATOM 2687 CD1 PHE B 51 49.527 -61.032 -8.979 1.00 8.08 C -ATOM 2688 CE1 PHE B 51 49.529 -61.549 -7.678 1.00 8.75 C -ATOM 2689 C PHE B 51 48.339 -62.831 -12.384 1.00 7.93 C -ATOM 2690 O PHE B 51 47.575 -63.358 -11.560 1.00 7.67 O -ATOM 2691 N TRP B 52 48.761 -63.465 -13.486 1.00 7.60 N -ATOM 2692 CA TRP B 52 48.330 -64.798 -13.949 1.00 8.90 C -ATOM 2693 CB TRP B 52 47.715 -64.700 -15.350 1.00 8.84 C -ATOM 2694 CG TRP B 52 46.425 -63.927 -15.369 1.00 9.43 C -ATOM 2695 CD1 TRP B 52 46.254 -62.583 -15.327 1.00 9.81 C -ATOM 2696 NE1 TRP B 52 44.926 -62.256 -15.363 1.00 9.91 N -ATOM 2697 CE2 TRP B 52 44.196 -63.394 -15.343 1.00 10.10 C -ATOM 2698 CD2 TRP B 52 45.094 -64.474 -15.346 1.00 10.03 C -ATOM 2699 CE3 TRP B 52 44.565 -65.758 -15.346 1.00 10.41 C -ATOM 2700 CZ3 TRP B 52 43.206 -65.933 -15.330 1.00 10.76 C -ATOM 2701 CH2 TRP B 52 42.339 -64.837 -15.306 1.00 11.22 C -ATOM 2702 CZ2 TRP B 52 42.812 -63.551 -15.298 1.00 10.55 C -ATOM 2703 C TRP B 52 49.546 -65.736 -13.976 1.00 8.08 C -ATOM 2704 O TRP B 52 50.618 -65.325 -14.364 1.00 8.38 O -ATOM 2705 N ASP B 53 49.331 -66.997 -13.620 1.00 8.13 N -ATOM 2706 CA ASP B 53 50.358 -68.047 -13.786 1.00 8.44 C -ATOM 2707 CB ASP B 53 49.974 -69.267 -12.967 1.00 9.05 C -ATOM 2708 CG ASP B 53 50.229 -69.051 -11.476 1.00 8.67 C -ATOM 2709 OD1 ASP B 53 49.715 -68.061 -10.893 1.00 8.61 O -ATOM 2710 OD2 ASP B 53 50.976 -69.859 -10.923 1.00 10.37 O -ATOM 2711 C ASP B 53 50.484 -68.474 -15.248 1.00 8.55 C -ATOM 2712 O ASP B 53 51.603 -68.716 -15.710 1.00 8.92 O -ATOM 2713 N GLN B 54 49.364 -68.636 -15.930 1.00 8.35 N -ATOM 2714 CA GLN B 54 49.361 -69.211 -17.294 1.00 9.05 C -ATOM 2715 CB GLN B 54 48.251 -70.241 -17.459 1.00 9.75 C -ATOM 2716 CG GLN B 54 48.354 -71.328 -16.407 1.00 10.11 C -ATOM 2717 CD GLN B 54 49.605 -72.162 -16.563 1.00 9.88 C -ATOM 2718 OE1 GLN B 54 50.196 -72.281 -17.637 1.00 10.89 O -ATOM 2719 NE2 GLN B 54 50.062 -72.725 -15.464 1.00 11.31 N -ATOM 2720 C GLN B 54 49.259 -68.118 -18.340 1.00 9.42 C -ATOM 2721 O GLN B 54 48.827 -66.954 -18.057 1.00 9.27 O -ATOM 2722 N ARG B 55 49.593 -68.484 -19.576 1.00 9.83 N -ATOM 2723 CA ARG B 55 49.563 -67.536 -20.697 1.00 10.70 C -ATOM 2724 CB ARG B 55 50.389 -68.121 -21.830 1.00 11.39 C -ATOM 2725 CG ARG B 55 50.767 -67.075 -22.845 1.00 15.31 C -ATOM 2726 CD ARG B 55 52.016 -67.432 -23.613 1.00 20.72 C -ATOM 2727 NE ARG B 55 51.439 -67.817 -24.850 1.00 23.87 N -ATOM 2728 CZ ARG B 55 50.865 -66.978 -25.709 1.00 29.05 C -ATOM 2729 NH1 ARG B 55 50.864 -65.676 -25.495 1.00 33.10 N -ATOM 2730 NH2 ARG B 55 50.272 -67.429 -26.799 1.00 35.02 N -ATOM 2731 C ARG B 55 48.120 -67.304 -21.160 1.00 10.73 C -ATOM 2732 O ARG B 55 47.777 -66.180 -21.571 1.00 10.51 O -ATOM 2733 N ASP B 56 47.296 -68.336 -21.087 1.00 10.54 N -ATOM 2734 CA ASP B 56 45.814 -68.176 -21.131 1.00 10.63 C -ATOM 2735 CB ASP B 56 45.253 -68.873 -22.383 1.00 10.37 C -ATOM 2736 CG ASP B 56 45.457 -70.380 -22.436 1.00 10.32 C -ATOM 2737 OD1 ASP B 56 46.087 -70.987 -21.516 1.00 10.69 O -ATOM 2738 OD2 ASP B 56 44.898 -70.980 -23.380 1.00 11.58 O -ATOM 2739 C ASP B 56 45.331 -68.692 -19.786 1.00 10.50 C -ATOM 2740 O ASP B 56 46.096 -68.558 -18.815 1.00 11.15 O -ATOM 2741 N ALA B 57 44.175 -69.323 -19.699 1.00 11.00 N -ATOM 2742 CA ALA B 57 43.684 -69.819 -18.409 1.00 12.32 C -ATOM 2743 CB ALA B 57 42.201 -70.065 -18.455 1.00 13.35 C -ATOM 2744 C ALA B 57 44.417 -71.104 -18.065 1.00 11.24 C -ATOM 2745 O ALA B 57 44.305 -71.532 -16.912 1.00 12.72 O -ATOM 2746 N VAL B 58 45.033 -71.757 -19.056 1.00 10.34 N -ATOM 2747 CA VAL B 58 45.311 -73.213 -18.913 1.00 10.04 C -ATOM 2748 CB VAL B 58 44.478 -74.039 -19.927 1.00 10.99 C -ATOM 2749 CG1 VAL B 58 44.877 -75.513 -19.947 1.00 11.63 C -ATOM 2750 CG2 VAL B 58 42.980 -73.928 -19.632 1.00 12.19 C -ATOM 2751 C VAL B 58 46.815 -73.522 -19.037 1.00 9.40 C -ATOM 2752 O VAL B 58 47.314 -74.352 -18.249 1.00 10.57 O -ATOM 2753 N SER B 59 47.543 -72.971 -19.992 1.00 9.58 N -ATOM 2754 CA SER B 59 48.905 -73.464 -20.265 1.00 10.16 C -ATOM 2755 CB SER B 59 48.908 -74.427 -21.460 1.00 11.68 C -ATOM 2756 OG SER B 59 48.692 -73.745 -22.707 1.00 15.10 O -ATOM 2757 C SER B 59 49.834 -72.282 -20.492 1.00 8.64 C -ATOM 2758 O SER B 59 49.362 -71.160 -20.705 1.00 9.00 O -ATOM 2759 N GLY B 60 51.133 -72.556 -20.520 1.00 8.29 N -ATOM 2760 CA GLY B 60 52.141 -71.607 -20.992 1.00 9.59 C -ATOM 2761 C GLY B 60 52.875 -70.925 -19.854 1.00 8.94 C -ATOM 2762 O GLY B 60 53.694 -70.086 -20.131 1.00 10.47 O -ATOM 2763 N GLY B 61 52.611 -71.271 -18.599 1.00 9.38 N -ATOM 2764 CA GLY B 61 53.374 -70.701 -17.477 1.00 9.50 C -ATOM 2765 C GLY B 61 54.827 -71.136 -17.508 1.00 10.40 C -ATOM 2766 O GLY B 61 55.176 -72.168 -18.151 1.00 11.79 O -ATOM 2767 N SER B 62 55.684 -70.406 -16.819 1.00 9.51 N -ATOM 2768 CA SER B 62 57.113 -70.779 -16.677 1.00 9.92 C -ATOM 2769 CB SER B 62 58.004 -70.018 -17.620 1.00 11.00 C -ATOM 2770 OG SER B 62 57.744 -68.650 -17.561 1.00 11.64 O -ATOM 2771 C SER B 62 57.521 -70.545 -15.240 1.00 8.88 C -ATOM 2772 O SER B 62 56.903 -69.763 -14.495 1.00 8.35 O -ATOM 2773 N PRO B 63 58.614 -71.140 -14.775 1.00 8.94 N -ATOM 2774 CA PRO B 63 59.058 -70.954 -13.392 1.00 8.86 C -ATOM 2775 CB PRO B 63 60.238 -71.940 -13.247 1.00 10.84 C -ATOM 2776 CG PRO B 63 59.991 -72.962 -14.303 1.00 12.58 C -ATOM 2777 CD PRO B 63 59.372 -72.202 -15.462 1.00 11.02 C -ATOM 2778 C PRO B 63 59.437 -69.497 -13.140 1.00 8.84 C -ATOM 2779 O PRO B 63 59.989 -68.868 -14.017 1.00 8.80 O -ATOM 2780 N HIS B 64 59.150 -69.003 -11.939 1.00 8.76 N -ATOM 2781 CA HIS B 64 59.687 -67.721 -11.455 1.00 9.12 C -ATOM 2782 CB HIS B 64 61.225 -67.765 -11.367 1.00 10.07 C -ATOM 2783 CG HIS B 64 61.739 -68.978 -10.698 1.00 11.78 C -ATOM 2784 ND1 HIS B 64 61.528 -69.282 -9.372 1.00 15.18 N -ATOM 2785 CE1 HIS B 64 62.094 -70.476 -9.124 1.00 15.72 C -ATOM 2786 NE2 HIS B 64 62.617 -70.913 -10.199 1.00 18.34 N -ATOM 2787 CD2 HIS B 64 62.447 -70.001 -11.210 1.00 14.83 C -ATOM 2788 C HIS B 64 59.182 -66.580 -12.332 1.00 9.45 C -ATOM 2789 O HIS B 64 59.918 -65.610 -12.528 1.00 12.16 O -ATOM 2790 N HIS B 65 57.989 -66.681 -12.875 1.00 8.23 N -ATOM 2791 CA HIS B 65 57.407 -65.726 -13.837 1.00 8.34 C -ATOM 2792 CB HIS B 65 57.763 -66.237 -15.242 1.00 9.67 C -ATOM 2793 CG HIS B 65 57.073 -65.526 -16.363 1.00 10.34 C -ATOM 2794 ND1 HIS B 65 55.800 -65.893 -16.791 1.00 11.27 N -ATOM 2795 CE1 HIS B 65 55.450 -65.070 -17.752 1.00 11.23 C -ATOM 2796 NE2 HIS B 65 56.463 -64.212 -17.982 1.00 12.18 N -ATOM 2797 CD2 HIS B 65 57.490 -64.497 -17.130 1.00 12.06 C -ATOM 2798 C HIS B 65 55.902 -65.744 -13.690 1.00 7.75 C -ATOM 2799 O HIS B 65 55.323 -66.805 -13.452 1.00 7.79 O -ATOM 2800 N TRP B 66 55.341 -64.566 -13.821 1.00 7.90 N -ATOM 2801 CA TRP B 66 53.880 -64.395 -13.936 1.00 7.35 C -ATOM 2802 CB TRP B 66 53.239 -63.988 -12.597 1.00 7.81 C -ATOM 2803 CG TRP B 66 53.208 -65.019 -11.520 1.00 7.97 C -ATOM 2804 CD1 TRP B 66 52.150 -65.814 -11.220 1.00 7.37 C -ATOM 2805 NE1 TRP B 66 52.430 -66.623 -10.142 1.00 7.97 N -ATOM 2806 CE2 TRP B 66 53.704 -66.351 -9.741 1.00 7.71 C -ATOM 2807 CD2 TRP B 66 54.234 -65.355 -10.584 1.00 7.79 C -ATOM 2808 CE3 TRP B 66 55.531 -64.911 -10.366 1.00 7.37 C -ATOM 2809 CZ3 TRP B 66 56.268 -65.512 -9.363 1.00 8.50 C -ATOM 2810 CH2 TRP B 66 55.718 -66.499 -8.536 1.00 8.00 C -ATOM 2811 CZ2 TRP B 66 54.436 -66.929 -8.714 1.00 8.01 C -ATOM 2812 C TRP B 66 53.602 -63.358 -15.009 1.00 7.18 C -ATOM 2813 O TRP B 66 54.413 -62.472 -15.247 1.00 8.25 O -ATOM 2814 N PHE B 67 52.437 -63.487 -15.621 1.00 7.52 N -ATOM 2815 CA PHE B 67 51.964 -62.527 -16.637 1.00 8.02 C -ATOM 2816 CB PHE B 67 51.086 -63.286 -17.629 1.00 7.89 C -ATOM 2817 CG PHE B 67 51.731 -64.441 -18.348 1.00 8.61 C -ATOM 2818 CD2 PHE B 67 52.338 -64.221 -19.575 1.00 9.36 C -ATOM 2819 CE2 PHE B 67 52.952 -65.251 -20.273 1.00 10.66 C -ATOM 2820 CZ PHE B 67 52.947 -66.501 -19.758 1.00 10.86 C -ATOM 2821 CD1 PHE B 67 51.710 -65.724 -17.838 1.00 9.40 C -ATOM 2822 CE1 PHE B 67 52.349 -66.748 -18.549 1.00 9.51 C -ATOM 2823 C PHE B 67 51.112 -61.458 -15.963 1.00 7.63 C -ATOM 2824 O PHE B 67 50.511 -61.743 -14.900 1.00 8.03 O -ATOM 2825 N VAL B 68 50.957 -60.306 -16.576 1.00 7.95 N -ATOM 2826 CA VAL B 68 50.063 -59.230 -16.082 1.00 7.56 C -ATOM 2827 CB VAL B 68 50.854 -58.016 -15.591 1.00 7.67 C -ATOM 2828 CG1 VAL B 68 49.896 -56.871 -15.334 1.00 7.63 C -ATOM 2829 CG2 VAL B 68 51.660 -58.309 -14.325 1.00 8.42 C -ATOM 2830 C VAL B 68 49.083 -58.881 -17.204 1.00 7.83 C -ATOM 2831 O VAL B 68 49.502 -58.473 -18.290 1.00 8.91 O -ATOM 2832 N ARG B 69 47.813 -59.101 -16.897 1.00 8.80 N -ATOM 2833 CA ARG B 69 46.684 -58.797 -17.799 1.00 9.01 C -ATOM 2834 CB ARG B 69 46.639 -59.791 -18.967 1.00 8.95 C -ATOM 2835 CG ARG B 69 46.336 -61.234 -18.582 1.00 8.35 C -ATOM 2836 CD ARG B 69 46.223 -62.192 -19.781 1.00 8.63 C -ATOM 2837 NE ARG B 69 45.892 -63.554 -19.410 1.00 8.83 N -ATOM 2838 CZ ARG B 69 46.742 -64.491 -18.992 1.00 8.93 C -ATOM 2839 NH1 ARG B 69 48.041 -64.283 -18.990 1.00 9.13 N -ATOM 2840 NH2 ARG B 69 46.281 -65.641 -18.558 1.00 9.57 N -ATOM 2841 C ARG B 69 45.398 -58.881 -16.998 1.00 10.13 C -ATOM 2842 O ARG B 69 45.383 -59.440 -15.927 1.00 9.63 O -ATOM 2843 N HIS B 70 44.308 -58.366 -17.557 1.00 10.68 N -ATOM 2844 CA HIS B 70 43.014 -58.401 -16.841 1.00 11.94 C -ATOM 2845 CB HIS B 70 42.080 -57.293 -17.339 1.00 13.04 C -ATOM 2846 CG HIS B 70 40.834 -57.201 -16.514 1.00 15.04 C -ATOM 2847 ND1 HIS B 70 39.637 -56.718 -17.002 1.00 16.91 N -ATOM 2848 CE1 HIS B 70 38.703 -56.799 -16.068 1.00 17.66 C -ATOM 2849 NE2 HIS B 70 39.283 -57.216 -14.940 1.00 18.99 N -ATOM 2850 CD2 HIS B 70 40.584 -57.562 -15.235 1.00 16.06 C -ATOM 2851 C HIS B 70 42.331 -59.764 -17.026 1.00 12.74 C -ATOM 2852 O HIS B 70 41.866 -60.339 -16.054 1.00 13.87 O -ATOM 2853 N ASN B 71 42.223 -60.233 -18.257 1.00 13.23 N -ATOM 2854 CA ASN B 71 41.304 -61.317 -18.669 1.00 15.11 C -ATOM 2855 CB ASN B 71 40.675 -60.945 -20.014 1.00 17.29 C -ATOM 2856 CG ASN B 71 39.804 -59.705 -19.916 1.00 19.21 C -ATOM 2857 OD1 ASN B 71 39.862 -58.841 -20.785 1.00 24.86 O -ATOM 2858 ND2 ASN B 71 39.037 -59.619 -18.850 1.00 18.78 N -ATOM 2859 C ASN B 71 42.040 -62.648 -18.718 1.00 13.79 C -ATOM 2860 O ASN B 71 43.265 -62.656 -18.865 1.00 12.18 O -ATOM 2861 N PRO B 72 41.340 -63.778 -18.513 1.00 13.64 N -ATOM 2862 CA PRO B 72 41.975 -65.088 -18.626 1.00 13.76 C -ATOM 2863 CB PRO B 72 40.836 -66.122 -18.515 1.00 15.07 C -ATOM 2864 CG PRO B 72 39.568 -65.325 -18.263 1.00 15.78 C -ATOM 2865 CD PRO B 72 39.947 -63.872 -18.045 1.00 16.12 C -ATOM 2866 C PRO B 72 42.735 -65.274 -19.941 1.00 13.84 C -ATOM 2867 O PRO B 72 43.806 -65.889 -19.925 1.00 13.41 O -ATOM 2868 N GLY B 73 42.170 -64.788 -21.044 1.00 15.07 N -ATOM 2869 CA GLY B 73 42.826 -64.838 -22.360 1.00 17.93 C -ATOM 2870 C GLY B 73 43.095 -63.437 -22.855 1.00 19.51 C -ATOM 2871 O GLY B 73 42.368 -62.520 -22.439 1.00 20.29 O -ATOM 2872 N THR B 74 44.096 -63.267 -23.717 1.00 20.91 N -ATOM 2873 CA THR B 74 44.397 -61.979 -24.378 1.00 22.85 C -ATOM 2874 CB THR B 74 45.490 -61.220 -23.613 1.00 23.61 C -ATOM 2875 OG1 THR B 74 45.735 -60.006 -24.318 1.00 23.45 O -ATOM 2876 CG2 THR B 74 46.796 -61.973 -23.456 1.00 23.77 C -ATOM 2877 C THR B 74 44.777 -62.242 -25.837 1.00 26.21 C -ATOM 2878 O THR B 74 45.378 -63.302 -26.129 1.00 24.47 O -ATOM 2879 N LEU B 75 44.491 -61.274 -26.707 1.00 28.10 N -ATOM 2880 CA LEU B 75 44.927 -61.291 -28.131 1.00 29.09 C -ATOM 2881 CB LEU B 75 44.158 -60.217 -28.910 1.00 29.93 C -ATOM 2882 CG LEU B 75 42.633 -60.323 -28.847 1.00 30.99 C -ATOM 2883 CD1 LEU B 75 41.984 -58.972 -29.133 1.00 30.64 C -ATOM 2884 CD2 LEU B 75 42.135 -61.386 -29.817 1.00 32.16 C -ATOM 2885 C LEU B 75 46.450 -61.076 -28.215 1.00 28.17 C -ATOM 2886 O LEU B 75 47.037 -61.541 -29.210 1.00 26.15 O -ATOM 2887 N PHE B 76 47.086 -60.444 -27.208 1.00 23.99 N -ATOM 2888 CA PHE B 76 48.566 -60.259 -27.153 1.00 25.81 C -ATOM 2889 CB PHE B 76 48.955 -59.317 -26.009 1.00 26.04 C -ATOM 2890 CG PHE B 76 48.688 -57.868 -26.330 1.00 28.36 C -ATOM 2891 CD1 PHE B 76 49.646 -57.106 -26.977 1.00 29.51 C -ATOM 2892 CE1 PHE B 76 49.394 -55.778 -27.296 1.00 29.54 C -ATOM 2893 CZ PHE B 76 48.180 -55.200 -26.993 1.00 29.49 C -ATOM 2894 CD2 PHE B 76 47.466 -57.275 -26.030 1.00 30.71 C -ATOM 2895 CE2 PHE B 76 47.216 -55.943 -26.347 1.00 29.57 C -ATOM 2896 C PHE B 76 49.267 -61.624 -27.054 1.00 25.96 C -ATOM 2897 O PHE B 76 48.988 -62.422 -26.131 1.00 24.32 O -ATOM 2898 N GLN B 77 50.174 -61.883 -27.999 1.00 26.55 N -ATOM 2899 CA GLN B 77 50.875 -63.188 -28.157 1.00 27.61 C -ATOM 2900 CB GLN B 77 51.639 -63.194 -29.482 1.00 31.31 C -ATOM 2901 CG GLN B 77 51.690 -64.548 -30.171 1.00 35.13 C -ATOM 2902 CD GLN B 77 52.421 -64.464 -31.490 1.00 36.47 C -ATOM 2903 OE1 GLN B 77 53.321 -63.648 -31.679 1.00 39.72 O -ATOM 2904 NE2 GLN B 77 52.050 -65.334 -32.418 1.00 42.55 N -ATOM 2905 C GLN B 77 51.827 -63.427 -26.977 1.00 26.98 C -ATOM 2906 O GLN B 77 52.309 -64.560 -26.798 1.00 26.86 O -ATOM 2907 N SER B 78 52.121 -62.395 -26.200 1.00 22.36 N -ATOM 2908 CA SER B 78 53.038 -62.481 -25.039 1.00 20.18 C -ATOM 2909 CB SER B 78 53.585 -61.153 -24.758 1.00 22.33 C -ATOM 2910 OG SER B 78 52.520 -60.344 -24.309 1.00 22.26 O -ATOM 2911 C SER B 78 52.307 -63.015 -23.800 1.00 18.78 C -ATOM 2912 O SER B 78 53.031 -63.359 -22.859 1.00 19.34 O -ATOM 2913 N GLY B 79 50.962 -63.015 -23.776 1.00 16.20 N -ATOM 2914 CA GLY B 79 50.170 -63.264 -22.547 1.00 13.55 C -ATOM 2915 C GLY B 79 50.127 -62.060 -21.603 1.00 10.76 C -ATOM 2916 O GLY B 79 49.474 -62.155 -20.554 1.00 11.38 O -ATOM 2917 N ASN B 80 50.777 -60.966 -21.942 1.00 10.14 N -ATOM 2918 CA ASN B 80 50.730 -59.733 -21.132 1.00 11.36 C -ATOM 2919 CB ASN B 80 52.134 -59.190 -20.895 1.00 11.30 C -ATOM 2920 CG ASN B 80 53.026 -60.173 -20.165 1.00 11.03 C -ATOM 2921 OD1 ASN B 80 54.094 -60.584 -20.647 1.00 13.10 O -ATOM 2922 ND2 ASN B 80 52.590 -60.608 -19.024 1.00 8.46 N -ATOM 2923 C ASN B 80 49.865 -58.730 -21.887 1.00 10.57 C -ATOM 2924 O ASN B 80 50.017 -58.553 -23.139 1.00 12.43 O -ATOM 2925 N ASP B 81 49.023 -58.016 -21.150 1.00 11.55 N -ATOM 2926 CA ASP B 81 48.252 -56.880 -21.713 1.00 11.18 C -ATOM 2927 CB ASP B 81 46.849 -57.322 -22.122 1.00 13.95 C -ATOM 2928 CG ASP B 81 45.993 -56.241 -22.769 1.00 15.26 C -ATOM 2929 OD1 ASP B 81 46.451 -55.119 -22.875 1.00 15.87 O -ATOM 2930 OD2 ASP B 81 44.853 -56.573 -23.174 1.00 23.10 O -ATOM 2931 C ASP B 81 48.257 -55.766 -20.686 1.00 10.02 C -ATOM 2932 O ASP B 81 47.439 -55.817 -19.773 1.00 10.67 O -ATOM 2933 N ASN B 82 49.188 -54.843 -20.811 1.00 8.79 N -ATOM 2934 CA ASN B 82 49.350 -53.837 -19.745 1.00 9.20 C -ATOM 2935 CB ASN B 82 49.952 -54.449 -18.484 1.00 9.24 C -ATOM 2936 CG ASN B 82 51.332 -55.006 -18.741 1.00 9.67 C -ATOM 2937 OD1 ASN B 82 52.234 -54.237 -19.031 1.00 10.22 O -ATOM 2938 ND2 ASN B 82 51.489 -56.330 -18.626 1.00 8.65 N -ATOM 2939 C ASN B 82 50.171 -52.689 -20.275 1.00 9.07 C -ATOM 2940 O ASN B 82 50.697 -52.771 -21.375 1.00 10.52 O -ATOM 2941 N ASN B 83 50.341 -51.669 -19.459 1.00 9.66 N -ATOM 2942 CA ASN B 83 51.053 -50.423 -19.789 1.00 10.05 C -ATOM 2943 CB ASN B 83 50.189 -49.235 -19.413 1.00 10.17 C -ATOM 2944 CG ASN B 83 49.833 -49.211 -17.936 1.00 9.22 C -ATOM 2945 OD1 ASN B 83 50.424 -49.955 -17.148 1.00 9.13 O -ATOM 2946 ND2 ASN B 83 48.832 -48.405 -17.583 1.00 11.11 N -ATOM 2947 C ASN B 83 52.425 -50.357 -19.108 1.00 9.29 C -ATOM 2948 O ASN B 83 53.006 -49.270 -19.004 1.00 11.04 O -ATOM 2949 N CYS B 84 52.955 -51.503 -18.665 1.00 9.46 N -ATOM 2950 CA CYS B 84 54.304 -51.549 -18.077 1.00 9.83 C -ATOM 2951 CB CYS B 84 54.476 -52.794 -17.228 1.00 9.78 C -ATOM 2952 SG CYS B 84 53.198 -52.933 -15.965 1.00 9.64 S -ATOM 2953 C CYS B 84 55.390 -51.543 -19.171 1.00 10.15 C -ATOM 2954 O CYS B 84 55.126 -51.903 -20.324 1.00 10.96 O -ATOM 2955 N THR B 85 56.598 -51.185 -18.793 1.00 12.00 N -ATOM 2956 CA THR B 85 57.747 -51.131 -19.737 1.00 14.50 C -ATOM 2957 CB THR B 85 59.006 -50.630 -19.037 1.00 18.02 C -ATOM 2958 OG1 THR B 85 59.407 -51.641 -18.127 1.00 26.30 O -ATOM 2959 CG2 THR B 85 58.806 -49.298 -18.368 1.00 16.83 C -ATOM 2960 C THR B 85 57.992 -52.496 -20.415 1.00 16.66 C -ATOM 2961 O THR B 85 57.831 -53.564 -19.750 1.00 17.44 O -ATOM 2962 N ASP B 87 53.067 -51.013 -27.967 1.00 49.44 N -ATOM 2963 CA ASP B 87 53.537 -50.826 -26.561 1.00 50.96 C -ATOM 2964 CB ASP B 87 52.462 -51.227 -25.549 1.00 51.76 C -ATOM 2965 CG ASP B 87 52.781 -50.819 -24.115 1.00 53.73 C -ATOM 2966 OD1 ASP B 87 52.553 -49.633 -23.780 1.00 54.14 O -ATOM 2967 OD2 ASP B 87 53.239 -51.692 -23.336 1.00 53.32 O -ATOM 2968 C ASP B 87 54.834 -51.605 -26.269 1.00 47.44 C -ATOM 2969 O ASP B 87 55.320 -51.524 -25.125 1.00 41.76 O -ATOM 2970 N GLY B 88 55.385 -52.338 -27.243 1.00 48.28 N -ATOM 2971 CA GLY B 88 56.790 -52.779 -27.198 1.00 43.20 C -ATOM 2972 C GLY B 88 56.991 -54.177 -27.740 1.00 44.22 C -ATOM 2973 O GLY B 88 56.966 -54.344 -28.987 1.00 41.47 O -ATOM 2974 N THR B 89 57.216 -55.138 -26.835 1.00 38.70 N -ATOM 2975 CA THR B 89 58.106 -56.301 -27.092 1.00 39.28 C -ATOM 2976 CB THR B 89 59.554 -55.878 -26.803 1.00 39.53 C -ATOM 2977 OG1 THR B 89 59.565 -55.298 -25.500 1.00 42.02 O -ATOM 2978 CG2 THR B 89 60.098 -54.872 -27.798 1.00 40.11 C -ATOM 2979 C THR B 89 57.690 -57.580 -26.336 1.00 34.45 C -ATOM 2980 O THR B 89 58.484 -58.539 -26.389 1.00 34.52 O -ATOM 2981 N GLY B 90 56.477 -57.659 -25.762 1.00 32.86 N -ATOM 2982 CA GLY B 90 55.918 -58.877 -25.138 1.00 30.88 C -ATOM 2983 C GLY B 90 56.573 -59.252 -23.810 1.00 28.94 C -ATOM 2984 O GLY B 90 56.177 -60.293 -23.243 1.00 32.97 O -ATOM 2985 N LYS B 91 57.520 -58.446 -23.320 1.00 28.05 N -ATOM 2986 CA LYS B 91 58.375 -58.735 -22.132 1.00 23.96 C -ATOM 2987 CB LYS B 91 59.833 -58.390 -22.455 1.00 27.80 C -ATOM 2988 CG LYS B 91 60.362 -58.945 -23.773 1.00 29.77 C -ATOM 2989 CD LYS B 91 59.926 -60.377 -24.072 1.00 32.22 C -ATOM 2990 CE LYS B 91 60.647 -60.976 -25.265 1.00 32.63 C -ATOM 2991 NZ LYS B 91 60.244 -62.382 -25.507 1.00 33.14 N -ATOM 2992 C LYS B 91 57.889 -57.926 -20.925 1.00 18.43 C -ATOM 2993 O LYS B 91 58.660 -57.766 -19.927 1.00 17.97 O -ATOM 2994 N ASN B 92 56.687 -57.364 -21.036 1.00 13.82 N -ATOM 2995 CA ASN B 92 56.011 -56.576 -19.969 1.00 11.78 C -ATOM 2996 CB ASN B 92 55.150 -55.475 -20.594 1.00 11.78 C -ATOM 2997 CG ASN B 92 54.125 -55.967 -21.597 1.00 11.61 C -ATOM 2998 OD1 ASN B 92 54.373 -56.887 -22.387 1.00 13.42 O -ATOM 2999 ND2 ASN B 92 52.970 -55.317 -21.602 1.00 12.84 N -ATOM 3000 C ASN B 92 55.266 -57.526 -19.028 1.00 10.79 C -ATOM 3001 O ASN B 92 54.022 -57.534 -18.994 1.00 10.40 O -ATOM 3002 N ASP B 93 56.035 -58.307 -18.292 1.00 9.87 N -ATOM 3003 CA ASP B 93 55.487 -59.314 -17.354 1.00 9.70 C -ATOM 3004 CB ASP B 93 56.325 -60.590 -17.443 1.00 10.30 C -ATOM 3005 CG ASP B 93 57.762 -60.440 -16.939 1.00 10.73 C -ATOM 3006 OD1 ASP B 93 58.213 -59.338 -16.680 1.00 9.72 O -ATOM 3007 OD2 ASP B 93 58.461 -61.445 -16.853 1.00 13.60 O -ATOM 3008 C ASP B 93 55.424 -58.746 -15.940 1.00 9.35 C -ATOM 3009 O ASP B 93 55.665 -57.577 -15.750 1.00 9.07 O -ATOM 3010 N LEU B 94 55.111 -59.601 -14.959 1.00 8.41 N -ATOM 3011 CA LEU B 94 54.977 -59.089 -13.571 1.00 8.12 C -ATOM 3012 CB LEU B 94 54.595 -60.226 -12.618 1.00 8.57 C -ATOM 3013 CG LEU B 94 54.534 -59.818 -11.147 1.00 8.13 C -ATOM 3014 CD1 LEU B 94 53.551 -58.670 -10.934 1.00 8.90 C -ATOM 3015 CD2 LEU B 94 54.202 -60.997 -10.264 1.00 8.37 C -ATOM 3016 C LEU B 94 56.300 -58.449 -13.149 1.00 8.26 C -ATOM 3017 O LEU B 94 56.288 -57.346 -12.593 1.00 8.02 O -ATOM 3018 N GLU B 95 57.407 -59.133 -13.391 1.00 8.39 N -ATOM 3019 CA GLU B 95 58.729 -58.609 -12.972 1.00 8.60 C -ATOM 3020 CB GLU B 95 59.823 -59.613 -13.331 1.00 9.62 C -ATOM 3021 CG GLU B 95 61.195 -59.119 -12.918 1.00 10.83 C -ATOM 3022 CD GLU B 95 62.276 -60.186 -12.924 1.00 12.42 C -ATOM 3023 OE1 GLU B 95 61.919 -61.347 -13.038 1.00 13.39 O -ATOM 3024 OE2 GLU B 95 63.461 -59.853 -12.834 1.00 13.96 O -ATOM 3025 C GLU B 95 58.943 -57.226 -13.604 1.00 8.79 C -ATOM 3026 O GLU B 95 59.453 -56.322 -12.921 1.00 8.32 O -ATOM 3027 N ALA B 96 58.607 -57.060 -14.885 1.00 8.79 N -ATOM 3028 CA ALA B 96 58.793 -55.755 -15.559 1.00 9.00 C -ATOM 3029 CB ALA B 96 58.454 -55.875 -17.032 1.00 9.65 C -ATOM 3030 C ALA B 96 57.944 -54.676 -14.858 1.00 8.55 C -ATOM 3031 O ALA B 96 58.414 -53.565 -14.588 1.00 9.18 O -ATOM 3032 N CYS B 97 56.675 -54.951 -14.575 1.00 8.03 N -ATOM 3033 CA CYS B 97 55.804 -53.986 -13.853 1.00 8.60 C -ATOM 3034 CB CYS B 97 54.395 -54.550 -13.704 1.00 9.17 C -ATOM 3035 SG CYS B 97 53.522 -54.844 -15.279 1.00 9.35 S -ATOM 3036 C CYS B 97 56.367 -53.638 -12.473 1.00 8.23 C -ATOM 3037 O CYS B 97 56.352 -52.476 -12.083 1.00 9.17 O -ATOM 3038 N LEU B 98 56.829 -54.653 -11.747 1.00 7.87 N -ATOM 3039 CA LEU B 98 57.421 -54.377 -10.437 1.00 8.73 C -ATOM 3040 CB LEU B 98 57.779 -55.680 -9.740 1.00 8.85 C -ATOM 3041 CG LEU B 98 56.602 -56.602 -9.423 1.00 9.78 C -ATOM 3042 CD1 LEU B 98 57.122 -57.843 -8.717 1.00 10.21 C -ATOM 3043 CD2 LEU B 98 55.525 -55.897 -8.610 1.00 10.83 C -ATOM 3044 C LEU B 98 58.653 -53.500 -10.613 1.00 8.56 C -ATOM 3045 O LEU B 98 58.876 -52.585 -9.802 1.00 9.18 O -ATOM 3046 N ASN B 99 59.479 -53.755 -11.615 1.00 9.47 N -ATOM 3047 CA ASN B 99 60.684 -52.924 -11.849 1.00 9.62 C -ATOM 3048 CB ASN B 99 61.583 -53.516 -12.921 1.00 10.52 C -ATOM 3049 CG ASN B 99 62.572 -54.479 -12.296 1.00 12.13 C -ATOM 3050 OD1 ASN B 99 63.217 -54.146 -11.300 1.00 16.02 O -ATOM 3051 ND2 ASN B 99 62.660 -55.683 -12.801 1.00 14.87 N -ATOM 3052 C ASN B 99 60.292 -51.489 -12.190 1.00 9.28 C -ATOM 3053 O ASN B 99 61.016 -50.597 -11.765 1.00 10.81 O -ATOM 3054 N ASP B 100 59.147 -51.274 -12.827 1.00 9.21 N -ATOM 3055 CA ASP B 100 58.743 -49.884 -13.082 1.00 9.38 C -ATOM 3056 CB ASP B 100 57.461 -49.803 -13.894 1.00 10.69 C -ATOM 3057 CG ASP B 100 57.589 -50.124 -15.361 1.00 11.62 C -ATOM 3058 OD1 ASP B 100 58.714 -50.153 -15.880 1.00 15.98 O -ATOM 3059 OD2 ASP B 100 56.567 -50.348 -15.947 1.00 11.81 O -ATOM 3060 C ASP B 100 58.592 -49.177 -11.734 1.00 9.22 C -ATOM 3061 O ASP B 100 58.979 -47.995 -11.606 1.00 9.35 O -ATOM 3062 N VAL B 101 58.006 -49.835 -10.736 1.00 8.84 N -ATOM 3063 CA VAL B 101 57.815 -49.198 -9.409 1.00 9.04 C -ATOM 3064 CB VAL B 101 56.851 -50.014 -8.556 1.00 9.16 C -ATOM 3065 CG1 VAL B 101 56.735 -49.427 -7.155 1.00 9.24 C -ATOM 3066 CG2 VAL B 101 55.508 -50.119 -9.252 1.00 10.03 C -ATOM 3067 C VAL B 101 59.184 -49.022 -8.739 1.00 8.55 C -ATOM 3068 O VAL B 101 59.464 -47.938 -8.161 1.00 9.19 O -ATOM 3069 N LYS B 102 60.029 -50.048 -8.780 1.00 9.23 N -ATOM 3070 CA LYS B 102 61.376 -49.967 -8.171 1.00 9.66 C -ATOM 3071 CB LYS B 102 62.065 -51.304 -8.414 1.00 10.95 C -ATOM 3072 CG LYS B 102 63.435 -51.408 -7.767 1.00 13.70 C -ATOM 3073 CD LYS B 102 64.592 -51.827 -8.634 1.00 19.06 C -ATOM 3074 CE LYS B 102 65.894 -51.953 -7.854 1.00 19.99 C -ATOM 3075 NZ LYS B 102 66.761 -50.748 -7.934 1.00 21.10 N -ATOM 3076 C LYS B 102 62.152 -48.791 -8.779 1.00 9.26 C -ATOM 3077 O LYS B 102 62.755 -48.004 -8.049 1.00 9.40 O -ATOM 3078 N ASN B 103 62.080 -48.656 -10.088 1.00 9.33 N -ATOM 3079 CA ASN B 103 62.787 -47.569 -10.805 1.00 9.89 C -ATOM 3080 CB ASN B 103 62.765 -47.767 -12.313 1.00 11.40 C -ATOM 3081 CG ASN B 103 63.669 -48.907 -12.713 1.00 13.48 C -ATOM 3082 OD1 ASN B 103 64.608 -49.222 -11.995 1.00 15.61 O -ATOM 3083 ND2 ASN B 103 63.379 -49.536 -13.828 1.00 16.68 N -ATOM 3084 C ASN B 103 62.239 -46.196 -10.424 1.00 9.85 C -ATOM 3085 O ASN B 103 63.035 -45.284 -10.157 1.00 10.43 O -ATOM 3086 N TRP B 104 60.925 -46.038 -10.374 1.00 8.74 N -ATOM 3087 CA TRP B 104 60.338 -44.762 -9.923 1.00 9.65 C -ATOM 3088 CB TRP B 104 58.825 -44.802 -10.006 1.00 9.38 C -ATOM 3089 CG TRP B 104 58.195 -43.478 -9.716 1.00 8.94 C -ATOM 3090 CD1 TRP B 104 57.736 -42.562 -10.625 1.00 9.05 C -ATOM 3091 NE1 TRP B 104 57.193 -41.495 -9.986 1.00 9.13 N -ATOM 3092 CE2 TRP B 104 57.295 -41.681 -8.631 1.00 8.74 C -ATOM 3093 CD2 TRP B 104 57.906 -42.932 -8.420 1.00 9.04 C -ATOM 3094 CE3 TRP B 104 58.063 -43.385 -7.105 1.00 9.11 C -ATOM 3095 CZ3 TRP B 104 57.651 -42.556 -6.087 1.00 8.91 C -ATOM 3096 CH2 TRP B 104 57.102 -41.288 -6.318 1.00 9.23 C -ATOM 3097 CZ2 TRP B 104 56.895 -40.843 -7.595 1.00 9.62 C -ATOM 3098 C TRP B 104 60.823 -44.460 -8.509 1.00 9.32 C -ATOM 3099 O TRP B 104 61.184 -43.295 -8.210 1.00 9.45 O -ATOM 3100 N SER B 105 60.803 -45.461 -7.641 1.00 9.14 N -ATOM 3101 CA SER B 105 61.226 -45.277 -6.242 1.00 9.75 C -ATOM 3102 CB SER B 105 61.068 -46.543 -5.465 1.00 9.49 C -ATOM 3103 OG SER B 105 61.687 -46.424 -4.221 1.00 9.13 O -ATOM 3104 C SER B 105 62.663 -44.740 -6.196 1.00 9.29 C -ATOM 3105 O SER B 105 62.946 -43.756 -5.457 1.00 9.61 O -ATOM 3106 N ASP B 106 63.576 -45.355 -6.945 1.00 10.12 N -ATOM 3107 CA ASP B 106 65.008 -44.917 -7.007 1.00 10.41 C -ATOM 3108 CB ASP B 106 65.783 -45.806 -7.988 1.00 11.88 C -ATOM 3109 CG ASP B 106 66.129 -47.174 -7.458 1.00 12.32 C -ATOM 3110 OD1 ASP B 106 66.071 -47.349 -6.240 1.00 13.27 O -ATOM 3111 OD2 ASP B 106 66.546 -48.017 -8.260 1.00 13.92 O -ATOM 3112 C ASP B 106 65.068 -43.445 -7.442 1.00 10.86 C -ATOM 3113 O ASP B 106 65.951 -42.715 -6.973 1.00 11.65 O -ATOM 3114 N LYS B 107 64.218 -43.045 -8.376 1.00 10.98 N -ATOM 3115 CA LYS B 107 64.297 -41.701 -8.971 1.00 12.37 C -ATOM 3116 CB LYS B 107 63.682 -41.750 -10.372 1.00 14.22 C -ATOM 3117 CG LYS B 107 64.554 -42.495 -11.390 1.00 17.92 C -ATOM 3118 CD LYS B 107 64.100 -42.369 -12.833 1.00 21.83 C -ATOM 3119 CE LYS B 107 63.903 -40.921 -13.253 1.00 24.73 C -ATOM 3120 NZ LYS B 107 63.033 -40.798 -14.446 1.00 28.06 N -ATOM 3121 C LYS B 107 63.636 -40.686 -8.039 1.00 11.95 C -ATOM 3122 O LYS B 107 63.773 -39.486 -8.314 1.00 12.38 O -ATOM 3123 N HIS B 108 62.921 -41.103 -6.985 1.00 11.68 N -ATOM 3124 CA HIS B 108 62.177 -40.163 -6.110 1.00 11.07 C -ATOM 3125 CB HIS B 108 60.672 -40.215 -6.347 1.00 11.69 C -ATOM 3126 CG HIS B 108 60.335 -39.818 -7.730 1.00 11.36 C -ATOM 3127 ND1 HIS B 108 60.434 -40.694 -8.792 1.00 10.43 N -ATOM 3128 CE1 HIS B 108 60.100 -40.057 -9.904 1.00 11.47 C -ATOM 3129 NE2 HIS B 108 59.806 -38.789 -9.576 1.00 12.27 N -ATOM 3130 CD2 HIS B 108 59.966 -38.622 -8.240 1.00 11.49 C -ATOM 3131 C HIS B 108 62.510 -40.470 -4.663 1.00 11.45 C -ATOM 3132 O HIS B 108 61.640 -40.840 -3.885 1.00 12.65 O -ATOM 3133 N PRO B 109 63.766 -40.250 -4.221 1.00 13.42 N -ATOM 3134 CA PRO B 109 64.103 -40.518 -2.824 1.00 14.15 C -ATOM 3135 CB PRO B 109 65.617 -40.203 -2.758 1.00 15.87 C -ATOM 3136 CG PRO B 109 65.804 -39.167 -3.859 1.00 17.28 C -ATOM 3137 CD PRO B 109 64.846 -39.554 -4.966 1.00 14.80 C -ATOM 3138 C PRO B 109 63.248 -39.640 -1.891 1.00 15.04 C -ATOM 3139 O PRO B 109 62.984 -38.494 -2.204 1.00 16.75 O -ATOM 3140 N GLY B 110 62.817 -40.166 -0.746 1.00 13.14 N -ATOM 3141 CA GLY B 110 61.967 -39.407 0.182 1.00 12.71 C -ATOM 3142 C GLY B 110 60.494 -39.590 -0.145 1.00 11.68 C -ATOM 3143 O GLY B 110 59.651 -38.832 0.382 1.00 13.58 O -ATOM 3144 N HIS B 111 60.138 -40.509 -1.036 1.00 10.36 N -ATOM 3145 CA HIS B 111 58.735 -40.630 -1.487 1.00 9.23 C -ATOM 3146 CB HIS B 111 58.651 -41.451 -2.762 1.00 8.12 C -ATOM 3147 CG HIS B 111 59.011 -42.875 -2.656 1.00 8.36 C -ATOM 3148 ND1 HIS B 111 58.196 -43.840 -2.071 1.00 8.08 N -ATOM 3149 CE1 HIS B 111 58.807 -45.010 -2.193 1.00 7.49 C -ATOM 3150 NE2 HIS B 111 59.981 -44.857 -2.868 1.00 7.92 N -ATOM 3151 CD2 HIS B 111 60.091 -43.529 -3.139 1.00 8.43 C -ATOM 3152 C HIS B 111 57.839 -41.144 -0.368 1.00 8.77 C -ATOM 3153 O HIS B 111 58.271 -41.949 0.481 1.00 8.46 O -ATOM 3154 N PHE B 112 56.624 -40.613 -0.354 1.00 8.31 N -ATOM 3155 CA PHE B 112 55.547 -41.202 0.449 1.00 7.75 C -ATOM 3156 CB PHE B 112 54.251 -40.483 0.075 1.00 7.77 C -ATOM 3157 CG PHE B 112 53.066 -40.878 0.894 1.00 8.06 C -ATOM 3158 CD2 PHE B 112 52.684 -40.094 1.963 1.00 8.77 C -ATOM 3159 CE2 PHE B 112 51.557 -40.436 2.694 1.00 9.01 C -ATOM 3160 CZ PHE B 112 50.847 -41.588 2.420 1.00 8.22 C -ATOM 3161 CD1 PHE B 112 52.328 -42.011 0.591 1.00 8.08 C -ATOM 3162 CE1 PHE B 112 51.240 -42.377 1.364 1.00 8.85 C -ATOM 3163 C PHE B 112 55.515 -42.696 0.137 1.00 7.06 C -ATOM 3164 O PHE B 112 55.711 -43.090 -1.003 1.00 7.29 O -ATOM 3165 N PRO B 113 55.233 -43.582 1.125 1.00 6.77 N -ATOM 3166 CA PRO B 113 55.245 -45.024 0.855 1.00 6.75 C -ATOM 3167 CB PRO B 113 54.818 -45.661 2.172 1.00 7.39 C -ATOM 3168 CG PRO B 113 54.094 -44.533 2.879 1.00 7.11 C -ATOM 3169 CD PRO B 113 54.905 -43.296 2.526 1.00 6.99 C -ATOM 3170 C PRO B 113 54.299 -45.427 -0.278 1.00 7.04 C -ATOM 3171 O PRO B 113 53.146 -44.937 -0.360 1.00 6.82 O -ATOM 3172 N ILE B 114 54.772 -46.304 -1.141 1.00 6.68 N -ATOM 3173 CA ILE B 114 53.988 -46.852 -2.252 1.00 6.46 C -ATOM 3174 CB ILE B 114 54.910 -47.132 -3.428 1.00 6.71 C -ATOM 3175 C ILE B 114 53.337 -48.145 -1.796 1.00 7.00 C -ATOM 3176 O ILE B 114 54.081 -49.029 -1.306 1.00 7.14 O -ATOM 3177 N THR B 115 52.052 -48.302 -2.026 1.00 6.21 N -ATOM 3178 CA THR B 115 51.344 -49.566 -1.784 1.00 6.57 C -ATOM 3179 CB THR B 115 50.150 -49.312 -0.863 1.00 7.16 C -ATOM 3180 OG1 THR B 115 50.577 -48.758 0.376 1.00 7.53 O -ATOM 3181 CG2 THR B 115 49.365 -50.580 -0.588 1.00 7.41 C -ATOM 3182 C THR B 115 50.959 -50.189 -3.104 1.00 6.75 C -ATOM 3183 O THR B 115 50.324 -49.494 -3.935 1.00 7.91 O -ATOM 3184 N LEU B 116 51.352 -51.439 -3.330 1.00 7.39 N -ATOM 3185 CA LEU B 116 51.033 -52.151 -4.578 1.00 7.96 C -ATOM 3186 CB LEU B 116 52.305 -52.736 -5.182 1.00 10.37 C -ATOM 3187 CG LEU B 116 53.295 -51.814 -5.842 1.00 14.41 C -ATOM 3188 CD1 LEU B 116 53.997 -50.917 -4.845 1.00 17.48 C -ATOM 3189 CD2 LEU B 116 54.278 -52.666 -6.635 1.00 15.54 C -ATOM 3190 C LEU B 116 50.103 -53.306 -4.241 1.00 8.00 C -ATOM 3191 O LEU B 116 50.506 -54.216 -3.514 1.00 7.79 O -ATOM 3192 N ILE B 117 48.905 -53.257 -4.764 1.00 7.13 N -ATOM 3193 CA ILE B 117 47.893 -54.326 -4.642 1.00 7.85 C -ATOM 3194 CB ILE B 117 46.490 -53.710 -4.797 1.00 9.47 C -ATOM 3195 CG1 ILE B 117 46.196 -52.520 -3.862 1.00 9.34 C -ATOM 3196 CG2 ILE B 117 45.400 -54.772 -4.710 1.00 10.44 C -ATOM 3197 CD1 ILE B 117 46.424 -52.797 -2.396 1.00 10.23 C -ATOM 3198 C ILE B 117 48.240 -55.352 -5.737 1.00 7.75 C -ATOM 3199 O ILE B 117 48.211 -55.013 -6.959 1.00 9.72 O -ATOM 3200 N LEU B 118 48.601 -56.546 -5.348 1.00 7.28 N -ATOM 3201 CA LEU B 118 48.889 -57.673 -6.267 1.00 7.06 C -ATOM 3202 CB LEU B 118 50.204 -58.353 -5.884 1.00 7.73 C -ATOM 3203 CG LEU B 118 51.351 -57.358 -5.729 1.00 8.35 C -ATOM 3204 CD1 LEU B 118 52.625 -58.025 -5.182 1.00 8.22 C -ATOM 3205 CD2 LEU B 118 51.657 -56.606 -6.995 1.00 8.96 C -ATOM 3206 C LEU B 118 47.712 -58.643 -6.224 1.00 6.73 C -ATOM 3207 O LEU B 118 47.530 -59.366 -5.249 1.00 7.36 O -ATOM 3208 N ASP B 119 46.863 -58.527 -7.242 1.00 6.92 N -ATOM 3209 CA ASP B 119 45.580 -59.223 -7.328 1.00 7.83 C -ATOM 3210 CB ASP B 119 44.590 -58.289 -7.990 1.00 8.26 C -ATOM 3211 CG ASP B 119 43.170 -58.809 -7.937 1.00 10.12 C -ATOM 3212 OD1 ASP B 119 42.963 -59.837 -7.243 1.00 10.97 O -ATOM 3213 OD2 ASP B 119 42.279 -58.245 -8.623 1.00 12.65 O -ATOM 3214 C ASP B 119 45.854 -60.507 -8.083 1.00 7.36 C -ATOM 3215 O ASP B 119 45.982 -60.499 -9.357 1.00 7.98 O -ATOM 3216 N LYS B 120 45.959 -61.580 -7.347 1.00 6.89 N -ATOM 3217 CA LYS B 120 46.332 -62.870 -7.917 1.00 7.34 C -ATOM 3218 CB LYS B 120 46.883 -63.768 -6.812 1.00 7.68 C -ATOM 3219 CG LYS B 120 47.462 -65.061 -7.374 1.00 8.03 C -ATOM 3220 CD LYS B 120 48.063 -65.964 -6.299 1.00 8.78 C -ATOM 3221 CE LYS B 120 49.096 -66.951 -6.807 1.00 9.45 C -ATOM 3222 NZ LYS B 120 48.750 -67.548 -8.120 1.00 8.85 N -ATOM 3223 C LYS B 120 45.092 -63.479 -8.571 1.00 7.77 C -ATOM 3224 O LYS B 120 44.080 -63.643 -7.905 1.00 7.92 O -ATOM 3225 N LYS B 121 45.200 -63.916 -9.828 1.00 7.65 N -ATOM 3226 CA LYS B 121 44.008 -64.333 -10.619 1.00 8.23 C -ATOM 3227 CB LYS B 121 44.067 -63.721 -12.012 1.00 8.99 C -ATOM 3228 CG LYS B 121 43.840 -62.223 -11.977 1.00 10.50 C -ATOM 3229 CD LYS B 121 42.486 -61.819 -11.391 1.00 13.07 C -ATOM 3230 CE LYS B 121 42.293 -60.319 -11.345 1.00 14.32 C -ATOM 3231 NZ LYS B 121 41.114 -59.939 -10.525 1.00 17.81 N -ATOM 3232 C LYS B 121 43.867 -65.851 -10.674 1.00 7.94 C -ATOM 3233 O LYS B 121 42.803 -66.316 -11.111 1.00 10.22 O -ATOM 3234 N GLN B 122 44.878 -66.621 -10.315 1.00 8.31 N -ATOM 3235 CA GLN B 122 44.788 -68.099 -10.343 1.00 8.41 C -ATOM 3236 CB GLN B 122 45.606 -68.643 -11.510 1.00 8.71 C -ATOM 3237 CG GLN B 122 45.038 -68.148 -12.826 1.00 8.74 C -ATOM 3238 CD GLN B 122 45.781 -68.724 -14.013 1.00 9.08 C -ATOM 3239 OE1 GLN B 122 46.962 -68.433 -14.251 1.00 9.70 O -ATOM 3240 NE2 GLN B 122 45.025 -69.458 -14.822 1.00 10.78 N -ATOM 3241 C GLN B 122 45.265 -68.657 -9.006 1.00 9.08 C -ATOM 3242 O GLN B 122 45.795 -67.901 -8.142 1.00 9.19 O -ATOM 3243 N GLY B 123 45.079 -69.946 -8.809 1.00 9.52 N -ATOM 3244 CA GLY B 123 45.513 -70.659 -7.614 1.00 9.99 C -ATOM 3245 C GLY B 123 47.016 -70.664 -7.521 1.00 8.96 C -ATOM 3246 O GLY B 123 47.751 -70.255 -8.458 1.00 9.54 O -ATOM 3247 N TRP B 124 47.535 -71.073 -6.387 1.00 9.19 N -ATOM 3248 CA TRP B 124 48.980 -71.310 -6.231 1.00 8.51 C -ATOM 3249 CB TRP B 124 49.353 -71.543 -4.769 1.00 8.27 C -ATOM 3250 CG TRP B 124 49.263 -70.272 -3.999 1.00 7.53 C -ATOM 3251 CD1 TRP B 124 48.328 -69.914 -3.075 1.00 7.32 C -ATOM 3252 NE1 TRP B 124 48.555 -68.621 -2.663 1.00 6.78 N -ATOM 3253 CE2 TRP B 124 49.688 -68.158 -3.258 1.00 6.78 C -ATOM 3254 CD2 TRP B 124 50.155 -69.162 -4.143 1.00 7.08 C -ATOM 3255 CE3 TRP B 124 51.305 -68.902 -4.908 1.00 7.47 C -ATOM 3256 CZ3 TRP B 124 51.945 -67.703 -4.761 1.00 7.96 C -ATOM 3257 CH2 TRP B 124 51.439 -66.708 -3.937 1.00 7.73 C -ATOM 3258 CZ2 TRP B 124 50.282 -66.904 -3.210 1.00 6.72 C -ATOM 3259 C TRP B 124 49.353 -72.517 -7.063 1.00 8.78 C -ATOM 3260 O TRP B 124 48.805 -73.625 -6.865 1.00 9.93 O -ATOM 3261 N SER B 125 50.325 -72.336 -7.932 1.00 8.66 N -ATOM 3262 CA SER B 125 50.887 -73.519 -8.613 1.00 9.24 C -ATOM 3263 CB SER B 125 51.743 -73.166 -9.785 1.00 9.88 C -ATOM 3264 OG SER B 125 50.959 -72.679 -10.870 1.00 10.37 O -ATOM 3265 C SER B 125 51.601 -74.430 -7.605 1.00 8.97 C -ATOM 3266 O SER B 125 52.076 -74.018 -6.513 1.00 9.97 O -ATOM 3267 N LYS B 126 51.668 -75.697 -7.950 1.00 9.38 N -ATOM 3268 CA LYS B 126 52.056 -76.769 -7.020 1.00 10.58 C -ATOM 3269 CB LYS B 126 51.471 -78.084 -7.538 1.00 10.65 C -ATOM 3270 CG LYS B 126 49.948 -78.178 -7.440 1.00 12.84 C -ATOM 3271 CD LYS B 126 49.366 -79.378 -8.135 1.00 15.32 C -ATOM 3272 CE LYS B 126 47.887 -79.556 -7.890 1.00 17.93 C -ATOM 3273 NZ LYS B 126 47.467 -80.853 -8.454 1.00 21.93 N -ATOM 3274 C LYS B 126 53.572 -76.855 -6.823 1.00 10.26 C -ATOM 3275 O LYS B 126 54.350 -76.137 -7.453 1.00 8.73 O -ATOM 3276 N GLU B 127 53.960 -77.765 -5.951 1.00 11.38 N -ATOM 3277 CA GLU B 127 55.367 -78.018 -5.641 1.00 12.33 C -ATOM 3278 CB GLU B 127 55.429 -79.248 -4.765 1.00 13.92 C -ATOM 3279 CG GLU B 127 56.767 -79.403 -4.118 1.00 15.34 C -ATOM 3280 CD GLU B 127 56.774 -80.474 -3.051 1.00 19.37 C -ATOM 3281 OE1 GLU B 127 56.052 -81.486 -3.229 1.00 23.64 O -ATOM 3282 OE2 GLU B 127 57.420 -80.252 -2.022 1.00 22.43 O -ATOM 3283 C GLU B 127 56.165 -78.200 -6.932 1.00 11.56 C -ATOM 3284 O GLU B 127 55.692 -78.865 -7.890 1.00 10.67 O -ATOM 3285 N SER B 128 57.349 -77.588 -6.952 1.00 10.59 N -ATOM 3286 CA SER B 128 58.402 -77.684 -7.998 1.00 10.51 C -ATOM 3287 CB SER B 128 58.759 -79.123 -8.384 1.00 10.39 C -ATOM 3288 OG SER B 128 59.082 -79.865 -7.249 1.00 12.56 O -ATOM 3289 C SER B 128 58.005 -76.883 -9.228 1.00 10.32 C -ATOM 3290 O SER B 128 58.716 -76.924 -10.230 1.00 10.20 O -ATOM 3291 N SER B 129 56.965 -76.057 -9.170 1.00 8.83 N -ATOM 3292 CA SER B 129 56.493 -75.287 -10.344 1.00 8.80 C -ATOM 3293 CB SER B 129 55.049 -74.950 -10.155 1.00 8.71 C -ATOM 3294 OG SER B 129 54.888 -74.018 -9.062 1.00 8.95 O -ATOM 3295 C SER B 129 57.310 -74.015 -10.539 1.00 7.72 C -ATOM 3296 O SER B 129 57.210 -73.380 -11.573 1.00 8.06 O -ATOM 3297 N GLY B 130 57.997 -73.538 -9.502 1.00 7.15 N -ATOM 3298 CA GLY B 130 58.633 -72.207 -9.518 1.00 7.80 C -ATOM 3299 C GLY B 130 57.666 -71.074 -9.293 1.00 7.34 C -ATOM 3300 O GLY B 130 58.062 -69.949 -9.487 1.00 7.84 O -ATOM 3301 N ARG B 131 56.421 -71.393 -8.939 1.00 6.87 N -ATOM 3302 CA ARG B 131 55.399 -70.330 -8.690 1.00 7.18 C -ATOM 3303 CB ARG B 131 54.467 -70.163 -9.895 1.00 7.61 C -ATOM 3304 CG ARG B 131 55.176 -69.701 -11.168 1.00 7.81 C -ATOM 3305 CD ARG B 131 54.158 -69.370 -12.245 1.00 7.79 C -ATOM 3306 NE ARG B 131 53.255 -70.508 -12.447 1.00 7.68 N -ATOM 3307 CZ ARG B 131 53.524 -71.562 -13.216 1.00 8.47 C -ATOM 3308 NH1 ARG B 131 54.577 -71.578 -13.995 1.00 8.76 N -ATOM 3309 NH2 ARG B 131 52.713 -72.616 -13.208 1.00 7.60 N -ATOM 3310 C ARG B 131 54.669 -70.591 -7.374 1.00 7.64 C -ATOM 3311 O ARG B 131 53.501 -70.215 -7.243 1.00 8.05 O -ATOM 3312 N THR B 132 55.354 -71.168 -6.412 1.00 7.29 N -ATOM 3313 CA THR B 132 54.782 -71.368 -5.079 1.00 7.40 C -ATOM 3314 CB THR B 132 55.524 -72.493 -4.383 1.00 7.99 C -ATOM 3315 OG1 THR B 132 56.793 -71.966 -3.995 1.00 9.47 O -ATOM 3316 CG2 THR B 132 55.682 -73.771 -5.193 1.00 8.51 C -ATOM 3317 C THR B 132 54.875 -70.087 -4.263 1.00 6.38 C -ATOM 3318 O THR B 132 55.489 -69.115 -4.695 1.00 6.84 O -ATOM 3319 N PRO B 133 54.233 -70.022 -3.059 1.00 6.69 N -ATOM 3320 CA PRO B 133 54.410 -68.828 -2.223 1.00 6.52 C -ATOM 3321 CB PRO B 133 53.705 -69.259 -0.943 1.00 6.30 C -ATOM 3322 CG PRO B 133 52.564 -70.148 -1.408 1.00 6.26 C -ATOM 3323 CD PRO B 133 53.165 -70.916 -2.556 1.00 6.63 C -ATOM 3324 C PRO B 133 55.863 -68.385 -2.005 1.00 6.43 C -ATOM 3325 O PRO B 133 56.174 -67.219 -2.062 1.00 7.07 O -ATOM 3326 N LYS B 134 56.755 -69.327 -1.773 1.00 6.72 N -ATOM 3327 CA LYS B 134 58.171 -68.982 -1.564 1.00 7.51 C -ATOM 3328 CB LYS B 134 58.904 -70.246 -1.119 1.00 8.96 C -ATOM 3329 CG LYS B 134 60.406 -70.114 -1.114 1.00 11.93 C -ATOM 3330 CD LYS B 134 60.860 -69.249 -0.001 1.00 13.11 C -ATOM 3331 CE LYS B 134 62.374 -69.256 0.130 1.00 14.88 C -ATOM 3332 NZ LYS B 134 62.788 -68.313 1.193 1.00 16.64 N -ATOM 3333 C LYS B 134 58.748 -68.349 -2.834 1.00 7.45 C -ATOM 3334 O LYS B 134 59.526 -67.421 -2.721 1.00 7.84 O -ATOM 3335 N ASP B 135 58.379 -68.885 -3.997 1.00 6.89 N -ATOM 3336 CA ASP B 135 58.926 -68.350 -5.265 1.00 7.52 C -ATOM 3337 CB ASP B 135 58.519 -69.243 -6.428 1.00 8.24 C -ATOM 3338 CG ASP B 135 59.071 -70.644 -6.290 1.00 8.30 C -ATOM 3339 OD1 ASP B 135 60.289 -70.768 -6.121 1.00 11.93 O -ATOM 3340 OD2 ASP B 135 58.309 -71.600 -6.311 1.00 9.12 O -ATOM 3341 C ASP B 135 58.418 -66.924 -5.478 1.00 7.61 C -ATOM 3342 O ASP B 135 59.119 -66.058 -5.985 1.00 7.61 O -ATOM 3343 N PHE B 136 57.172 -66.668 -5.116 1.00 7.33 N -ATOM 3344 CA PHE B 136 56.585 -65.305 -5.235 1.00 7.37 C -ATOM 3345 CB PHE B 136 55.108 -65.411 -4.901 1.00 7.62 C -ATOM 3346 CG PHE B 136 54.373 -64.122 -5.043 1.00 9.32 C -ATOM 3347 CD1 PHE B 136 54.143 -63.627 -6.322 1.00 10.77 C -ATOM 3348 CE1 PHE B 136 53.447 -62.444 -6.519 1.00 12.70 C -ATOM 3349 CZ PHE B 136 52.929 -61.797 -5.446 1.00 13.79 C -ATOM 3350 CD2 PHE B 136 53.820 -63.460 -3.962 1.00 11.45 C -ATOM 3351 CE2 PHE B 136 53.124 -62.279 -4.179 1.00 13.40 C -ATOM 3352 C PHE B 136 57.367 -64.357 -4.330 1.00 6.88 C -ATOM 3353 O PHE B 136 57.732 -63.253 -4.751 1.00 7.18 O -ATOM 3354 N ASP B 137 57.561 -64.746 -3.067 1.00 6.87 N -ATOM 3355 CA ASP B 137 58.362 -63.913 -2.159 1.00 7.40 C -ATOM 3356 CB ASP B 137 58.455 -64.532 -0.771 1.00 7.48 C -ATOM 3357 CG ASP B 137 57.281 -64.181 0.134 1.00 7.73 C -ATOM 3358 OD1 ASP B 137 56.306 -63.534 -0.342 1.00 8.77 O -ATOM 3359 OD2 ASP B 137 57.370 -64.568 1.319 1.00 8.30 O -ATOM 3360 C ASP B 137 59.771 -63.692 -2.682 1.00 7.78 C -ATOM 3361 O ASP B 137 60.289 -62.581 -2.561 1.00 8.20 O -ATOM 3362 N GLU B 138 60.385 -64.696 -3.295 1.00 7.85 N -ATOM 3363 CA GLU B 138 61.774 -64.524 -3.800 1.00 8.67 C -ATOM 3364 CB GLU B 138 62.359 -65.879 -4.221 1.00 10.93 C -ATOM 3365 CG GLU B 138 62.742 -66.767 -3.049 1.00 15.47 C -ATOM 3366 CD GLU B 138 63.309 -68.106 -3.511 1.00 21.36 C -ATOM 3367 OE1 GLU B 138 62.979 -68.558 -4.632 1.00 28.69 O -ATOM 3368 OE2 GLU B 138 64.104 -68.686 -2.761 1.00 30.16 O -ATOM 3369 C GLU B 138 61.762 -63.511 -4.951 1.00 8.32 C -ATOM 3370 O GLU B 138 62.697 -62.744 -5.089 1.00 8.47 O -ATOM 3371 N LEU B 139 60.749 -63.541 -5.787 1.00 8.12 N -ATOM 3372 CA LEU B 139 60.703 -62.626 -6.936 1.00 8.25 C -ATOM 3373 CB LEU B 139 59.537 -62.982 -7.863 1.00 8.95 C -ATOM 3374 CG LEU B 139 59.186 -61.870 -8.854 1.00 10.58 C -ATOM 3375 CD1 LEU B 139 60.340 -61.579 -9.800 1.00 12.36 C -ATOM 3376 CD2 LEU B 139 57.954 -62.213 -9.651 1.00 11.43 C -ATOM 3377 C LEU B 139 60.580 -61.211 -6.397 1.00 7.50 C -ATOM 3378 O LEU B 139 61.325 -60.325 -6.819 1.00 8.38 O -ATOM 3379 N VAL B 140 59.622 -60.981 -5.491 1.00 7.71 N -ATOM 3380 CA VAL B 140 59.370 -59.582 -5.051 1.00 8.01 C -ATOM 3381 CB VAL B 140 58.033 -59.384 -4.328 1.00 8.30 C -ATOM 3382 CG1 VAL B 140 56.888 -59.801 -5.242 1.00 8.39 C -ATOM 3383 CG2 VAL B 140 57.981 -60.090 -2.999 1.00 7.80 C -ATOM 3384 C VAL B 140 60.578 -59.083 -4.272 1.00 8.32 C -ATOM 3385 O VAL B 140 60.878 -57.880 -4.369 1.00 8.66 O -ATOM 3386 N ALA B 141 61.196 -59.935 -3.488 1.00 8.67 N -ATOM 3387 CA ALA B 141 62.394 -59.520 -2.730 1.00 9.59 C -ATOM 3388 CB ALA B 141 62.771 -60.603 -1.740 1.00 10.82 C -ATOM 3389 C ALA B 141 63.567 -59.219 -3.660 1.00 10.50 C -ATOM 3390 O ALA B 141 64.335 -58.254 -3.412 1.00 11.09 O -ATOM 3391 N ARG B 142 63.711 -60.002 -4.709 1.00 10.37 N -ATOM 3392 CA ARG B 142 64.844 -59.779 -5.631 1.00 10.89 C -ATOM 3393 CB ARG B 142 64.940 -60.947 -6.603 1.00 12.20 C -ATOM 3394 CG ARG B 142 65.984 -60.777 -7.686 1.00 13.33 C -ATOM 3395 CD ARG B 142 66.273 -62.134 -8.354 1.00 14.26 C -ATOM 3396 NE ARG B 142 65.059 -62.629 -8.969 1.00 15.08 N -ATOM 3397 CZ ARG B 142 64.499 -62.130 -10.064 1.00 14.18 C -ATOM 3398 NH1 ARG B 142 65.052 -61.133 -10.737 1.00 16.90 N -ATOM 3399 NH2 ARG B 142 63.358 -62.626 -10.501 1.00 15.65 N -ATOM 3400 C ARG B 142 64.627 -58.452 -6.357 1.00 10.20 C -ATOM 3401 O ARG B 142 65.616 -57.743 -6.576 1.00 11.51 O -ATOM 3402 N VAL B 143 63.404 -58.140 -6.773 1.00 9.46 N -ATOM 3403 CA VAL B 143 63.155 -56.859 -7.483 1.00 9.17 C -ATOM 3404 CB VAL B 143 61.721 -56.779 -8.029 1.00 10.45 C -ATOM 3405 CG1 VAL B 143 61.373 -55.353 -8.469 1.00 10.48 C -ATOM 3406 CG2 VAL B 143 61.542 -57.759 -9.170 1.00 10.77 C -ATOM 3407 C VAL B 143 63.397 -55.699 -6.507 1.00 8.76 C -ATOM 3408 O VAL B 143 64.126 -54.732 -6.817 1.00 9.28 O -ATOM 3409 N PHE B 144 62.750 -55.724 -5.342 1.00 8.97 N -ATOM 3410 CA PHE B 144 62.653 -54.536 -4.452 1.00 8.99 C -ATOM 3411 CB PHE B 144 61.309 -54.513 -3.729 1.00 8.98 C -ATOM 3412 CG PHE B 144 60.183 -54.165 -4.667 1.00 7.88 C -ATOM 3413 CD1 PHE B 144 60.100 -52.892 -5.213 1.00 9.11 C -ATOM 3414 CE1 PHE B 144 59.077 -52.556 -6.077 1.00 9.04 C -ATOM 3415 CZ PHE B 144 58.139 -53.475 -6.414 1.00 9.11 C -ATOM 3416 CD2 PHE B 144 59.213 -55.082 -5.006 1.00 8.62 C -ATOM 3417 CE2 PHE B 144 58.196 -54.735 -5.868 1.00 8.51 C -ATOM 3418 C PHE B 144 63.779 -54.447 -3.426 1.00 10.98 C -ATOM 3419 O PHE B 144 64.013 -53.336 -2.906 1.00 9.91 O -ATOM 3420 N GLN B 145 64.536 -55.523 -3.223 1.00 13.88 N -ATOM 3421 CA GLN B 145 65.775 -55.598 -2.370 1.00 18.71 C -ATOM 3422 CB GLN B 145 66.978 -55.958 -3.243 1.00 23.36 C -ATOM 3423 CG GLN B 145 66.979 -55.202 -4.563 1.00 26.00 C -ATOM 3424 CD GLN B 145 68.328 -55.191 -5.221 1.00 29.30 C -ATOM 3425 OE1 GLN B 145 69.201 -55.992 -4.892 1.00 33.52 O -ATOM 3426 NE2 GLN B 145 68.491 -54.280 -6.167 1.00 34.90 N -ATOM 3427 C GLN B 145 66.018 -54.313 -1.559 1.00 20.19 C -ATOM 3428 O GLN B 145 66.679 -53.363 -2.061 1.00 24.48 O -ATOM 3429 N GLY B 146 65.505 -54.317 -0.341 1.00 17.64 N -ATOM 3430 CA GLY B 146 65.590 -53.329 0.746 1.00 11.71 C -ATOM 3431 C GLY B 146 64.416 -52.378 0.806 1.00 9.31 C -ATOM 3432 O GLY B 146 64.193 -51.789 1.876 1.00 9.33 O -ATOM 3433 N LYS B 147 63.711 -52.198 -0.305 1.00 7.65 N -ATOM 3434 CA LYS B 147 62.644 -51.173 -0.297 1.00 7.67 C -ATOM 3435 CB LYS B 147 62.228 -50.786 -1.707 1.00 7.70 C -ATOM 3436 CG LYS B 147 63.309 -50.040 -2.481 1.00 7.69 C -ATOM 3437 CD LYS B 147 62.875 -49.744 -3.907 1.00 8.02 C -ATOM 3438 CE LYS B 147 63.905 -49.017 -4.742 1.00 9.10 C -ATOM 3439 NZ LYS B 147 64.223 -47.708 -4.154 1.00 9.71 N -ATOM 3440 C LYS B 147 61.394 -51.663 0.423 1.00 6.69 C -ATOM 3441 O LYS B 147 60.571 -50.796 0.758 1.00 6.93 O -ATOM 3442 N LEU B 148 61.245 -52.962 0.692 1.00 6.63 N -ATOM 3443 CA LEU B 148 59.966 -53.448 1.265 1.00 6.64 C -ATOM 3444 CB LEU B 148 59.837 -54.963 1.107 1.00 7.08 C -ATOM 3445 CG LEU B 148 59.880 -55.460 -0.338 1.00 7.55 C -ATOM 3446 CD1 LEU B 148 59.694 -56.966 -0.385 1.00 8.79 C -ATOM 3447 CD2 LEU B 148 58.872 -54.747 -1.229 1.00 8.06 C -ATOM 3448 C LEU B 148 59.827 -53.067 2.727 1.00 6.56 C -ATOM 3449 O LEU B 148 60.814 -53.039 3.498 1.00 6.75 O -ATOM 3450 N PHE B 149 58.569 -52.846 3.108 1.00 6.06 N -ATOM 3451 CA PHE B 149 58.071 -52.837 4.502 1.00 6.43 C -ATOM 3452 CB PHE B 149 57.396 -51.508 4.793 1.00 6.31 C -ATOM 3453 CG PHE B 149 56.790 -51.431 6.166 1.00 6.20 C -ATOM 3454 CD1 PHE B 149 57.575 -51.127 7.265 1.00 6.80 C -ATOM 3455 CE1 PHE B 149 57.042 -50.994 8.527 1.00 7.05 C -ATOM 3456 CZ PHE B 149 55.700 -51.228 8.718 1.00 7.23 C -ATOM 3457 CD2 PHE B 149 55.431 -51.615 6.375 1.00 6.17 C -ATOM 3458 CE2 PHE B 149 54.904 -51.530 7.647 1.00 6.72 C -ATOM 3459 C PHE B 149 57.104 -54.021 4.574 1.00 5.89 C -ATOM 3460 O PHE B 149 56.141 -54.073 3.832 1.00 6.35 O -ATOM 3461 N THR B 150 57.383 -54.960 5.446 1.00 6.53 N -ATOM 3462 CA THR B 150 56.670 -56.259 5.523 1.00 6.75 C -ATOM 3463 CB THR B 150 57.714 -57.384 5.461 1.00 7.74 C -ATOM 3464 OG1 THR B 150 58.438 -57.344 6.694 1.00 8.06 O -ATOM 3465 CG2 THR B 150 58.591 -57.246 4.237 1.00 8.03 C -ATOM 3466 C THR B 150 55.872 -56.407 6.787 1.00 5.90 C -ATOM 3467 O THR B 150 55.986 -55.616 7.713 1.00 6.10 O -ATOM 3468 N PRO B 151 55.006 -57.446 6.861 1.00 6.16 N -ATOM 3469 CA PRO B 151 54.288 -57.711 8.099 1.00 6.58 C -ATOM 3470 CB PRO B 151 53.578 -59.046 7.778 1.00 6.67 C -ATOM 3471 CG PRO B 151 53.266 -58.936 6.311 1.00 6.38 C -ATOM 3472 CD PRO B 151 54.529 -58.333 5.753 1.00 6.16 C -ATOM 3473 C PRO B 151 55.210 -57.818 9.328 1.00 5.45 C -ATOM 3474 O PRO B 151 54.840 -57.308 10.380 1.00 6.44 O -ATOM 3475 N GLN B 152 56.372 -58.468 9.199 1.00 6.18 N -ATOM 3476 CA GLN B 152 57.302 -58.562 10.342 1.00 6.55 C -ATOM 3477 CB GLN B 152 58.488 -59.452 10.008 1.00 7.28 C -ATOM 3478 CG GLN B 152 59.520 -59.488 11.125 1.00 7.52 C -ATOM 3479 CD GLN B 152 58.979 -60.122 12.369 1.00 7.91 C -ATOM 3480 OE1 GLN B 152 58.694 -61.307 12.372 1.00 8.50 O -ATOM 3481 NE2 GLN B 152 58.849 -59.355 13.445 1.00 7.88 N -ATOM 3482 C GLN B 152 57.758 -57.162 10.739 1.00 6.18 C -ATOM 3483 O GLN B 152 57.903 -56.898 11.958 1.00 5.86 O -ATOM 3484 N ASP B 153 57.993 -56.263 9.791 1.00 6.11 N -ATOM 3485 CA ASP B 153 58.447 -54.905 10.144 1.00 6.48 C -ATOM 3486 CB ASP B 153 58.786 -54.096 8.890 1.00 6.27 C -ATOM 3487 CG ASP B 153 59.913 -54.715 8.102 1.00 6.80 C -ATOM 3488 OD1 ASP B 153 60.918 -55.181 8.744 1.00 7.03 O -ATOM 3489 OD2 ASP B 153 59.872 -54.643 6.869 1.00 7.55 O -ATOM 3490 C ASP B 153 57.333 -54.219 10.929 1.00 6.24 C -ATOM 3491 O ASP B 153 57.627 -53.488 11.890 1.00 6.56 O -ATOM 3492 N LEU B 154 56.074 -54.412 10.562 1.00 5.86 N -ATOM 3493 CA LEU B 154 54.968 -53.801 11.310 1.00 5.97 C -ATOM 3494 CB LEU B 154 53.675 -53.985 10.527 1.00 5.62 C -ATOM 3495 CG LEU B 154 52.416 -53.479 11.236 1.00 5.67 C -ATOM 3496 CD1 LEU B 154 52.432 -51.959 11.503 1.00 6.21 C -ATOM 3497 CD2 LEU B 154 51.202 -53.827 10.404 1.00 5.42 C -ATOM 3498 C LEU B 154 54.843 -54.424 12.699 1.00 5.65 C -ATOM 3499 O LEU B 154 54.652 -53.723 13.682 1.00 6.06 O -ATOM 3500 N ALA B 155 54.981 -55.741 12.764 1.00 5.83 N -ATOM 3501 CA ALA B 155 54.889 -56.456 14.047 1.00 5.87 C -ATOM 3502 CB ALA B 155 55.035 -57.925 13.780 1.00 6.68 C -ATOM 3503 C ALA B 155 55.953 -55.931 15.022 1.00 5.50 C -ATOM 3504 O ALA B 155 55.642 -55.602 16.179 1.00 6.23 O -ATOM 3505 N THR B 156 57.168 -55.803 14.537 1.00 6.07 N -ATOM 3506 CA THR B 156 58.262 -55.220 15.349 1.00 6.91 C -ATOM 3507 CB THR B 156 59.583 -55.237 14.576 1.00 7.32 C -ATOM 3508 OG1 THR B 156 59.929 -56.603 14.432 1.00 7.58 O -ATOM 3509 CG2 THR B 156 60.689 -54.474 15.280 1.00 8.10 C -ATOM 3510 C THR B 156 57.873 -53.832 15.833 1.00 6.29 C -ATOM 3511 O THR B 156 58.025 -53.533 17.030 1.00 6.85 O -ATOM 3512 N HIS B 157 57.334 -53.009 14.947 1.00 6.46 N -ATOM 3513 CA HIS B 157 56.938 -51.627 15.283 1.00 6.75 C -ATOM 3514 CB HIS B 157 56.328 -50.925 14.081 1.00 7.27 C -ATOM 3515 CG HIS B 157 55.947 -49.523 14.427 1.00 7.72 C -ATOM 3516 ND1 HIS B 157 56.872 -48.514 14.636 1.00 9.74 N -ATOM 3517 CE1 HIS B 157 56.216 -47.401 14.940 1.00 9.34 C -ATOM 3518 NE2 HIS B 157 54.945 -47.658 14.955 1.00 9.92 N -ATOM 3519 CD2 HIS B 157 54.750 -48.986 14.683 1.00 8.13 C -ATOM 3520 C HIS B 157 55.977 -51.639 16.462 1.00 6.62 C -ATOM 3521 O HIS B 157 56.099 -50.789 17.370 1.00 7.08 O -ATOM 3522 N ILE B 158 54.998 -52.534 16.480 1.00 6.60 N -ATOM 3523 CA ILE B 158 53.956 -52.519 17.532 1.00 7.02 C -ATOM 3524 CB ILE B 158 52.565 -52.843 16.978 1.00 6.73 C -ATOM 3525 CG1 ILE B 158 52.397 -54.290 16.500 1.00 6.62 C -ATOM 3526 CG2 ILE B 158 52.187 -51.828 15.916 1.00 7.34 C -ATOM 3527 CD1 ILE B 158 50.964 -54.764 16.457 1.00 6.57 C -ATOM 3528 C ILE B 158 54.349 -53.430 18.701 1.00 7.24 C -ATOM 3529 O ILE B 158 53.572 -53.524 19.651 1.00 8.99 O -ATOM 3530 N GLY B 159 55.506 -54.083 18.685 1.00 7.91 N -ATOM 3531 CA GLY B 159 55.921 -54.960 19.793 1.00 8.31 C -ATOM 3532 C GLY B 159 55.257 -56.330 19.792 1.00 8.43 C -ATOM 3533 O GLY B 159 55.137 -56.902 20.905 1.00 10.08 O -ATOM 3534 N SER B 160 54.880 -56.828 18.625 1.00 7.64 N -ATOM 3535 CA SER B 160 54.067 -58.076 18.516 1.00 7.70 C -ATOM 3536 CB SER B 160 52.742 -57.749 17.862 1.00 8.61 C -ATOM 3537 OG SER B 160 51.873 -58.878 17.699 1.00 8.98 O -ATOM 3538 C SER B 160 54.840 -59.098 17.691 1.00 7.13 C -ATOM 3539 O SER B 160 55.608 -58.712 16.835 1.00 7.96 O -ATOM 3540 N GLY B 161 54.517 -60.365 17.850 1.00 6.30 N -ATOM 3541 CA GLY B 161 54.750 -61.336 16.778 1.00 7.04 C -ATOM 3542 C GLY B 161 53.893 -61.039 15.556 1.00 7.16 C -ATOM 3543 O GLY B 161 52.737 -60.555 15.681 1.00 6.83 O -ATOM 3544 N ALA B 162 54.370 -61.369 14.373 1.00 6.34 N -ATOM 3545 CA ALA B 162 53.592 -61.111 13.139 1.00 7.10 C -ATOM 3546 CB ALA B 162 54.395 -61.387 11.895 1.00 7.94 C -ATOM 3547 C ALA B 162 52.310 -61.947 13.161 1.00 6.37 C -ATOM 3548 O ALA B 162 51.283 -61.505 12.591 1.00 6.47 O -ATOM 3549 N GLY B 163 52.336 -63.136 13.758 1.00 5.90 N -ATOM 3550 CA GLY B 163 51.098 -63.942 13.774 1.00 5.89 C -ATOM 3551 C GLY B 163 50.040 -63.441 14.704 1.00 5.79 C -ATOM 3552 O GLY B 163 48.945 -64.030 14.741 1.00 5.72 O -ATOM 3553 N ALA B 164 50.307 -62.395 15.463 1.00 5.53 N -ATOM 3554 CA ALA B 164 49.355 -61.771 16.376 1.00 5.99 C -ATOM 3555 CB ALA B 164 49.893 -61.814 17.771 1.00 6.97 C -ATOM 3556 C ALA B 164 48.998 -60.373 15.913 1.00 5.52 C -ATOM 3557 O ALA B 164 48.340 -59.647 16.691 1.00 5.67 O -ATOM 3558 N LEU B 165 49.301 -59.997 14.693 1.00 5.13 N -ATOM 3559 CA LEU B 165 48.948 -58.678 14.193 1.00 5.61 C -ATOM 3560 CB LEU B 165 49.421 -58.476 12.757 1.00 5.86 C -ATOM 3561 CG LEU B 165 50.913 -58.194 12.585 1.00 6.42 C -ATOM 3562 CD1 LEU B 165 51.304 -58.368 11.130 1.00 6.74 C -ATOM 3563 CD2 LEU B 165 51.236 -56.802 13.066 1.00 6.33 C -ATOM 3564 C LEU B 165 47.447 -58.467 14.278 1.00 5.07 C -ATOM 3565 O LEU B 165 47.001 -57.365 14.564 1.00 5.48 O -ATOM 3566 N GLN B 166 46.656 -59.458 13.902 1.00 5.09 N -ATOM 3567 CA GLN B 166 45.217 -59.274 13.663 1.00 5.00 C -ATOM 3568 CB GLN B 166 44.547 -60.648 13.586 1.00 5.30 C -ATOM 3569 CG GLN B 166 43.041 -60.530 13.440 1.00 5.82 C -ATOM 3570 CD GLN B 166 42.322 -61.862 13.394 1.00 5.52 C -ATOM 3571 OE1 GLN B 166 42.696 -62.798 14.106 1.00 5.99 O -ATOM 3572 NE2 GLN B 166 41.313 -61.975 12.519 1.00 5.76 N -ATOM 3573 C GLN B 166 44.579 -58.484 14.785 1.00 5.05 C -ATOM 3574 O GLN B 166 43.880 -57.471 14.547 1.00 5.38 O -ATOM 3575 N GLY B 167 44.748 -58.957 16.019 1.00 5.38 N -ATOM 3576 CA GLY B 167 44.157 -58.347 17.211 1.00 6.24 C -ATOM 3577 C GLY B 167 45.096 -57.399 17.916 1.00 5.99 C -ATOM 3578 O GLY B 167 44.579 -56.434 18.540 1.00 6.54 O -ATOM 3579 N ASN B 168 46.404 -57.602 17.867 1.00 5.60 N -ATOM 3580 CA ASN B 168 47.311 -56.684 18.588 1.00 5.72 C -ATOM 3581 CB ASN B 168 48.708 -57.288 18.690 1.00 6.40 C -ATOM 3582 CG ASN B 168 48.818 -58.373 19.732 1.00 7.06 C -ATOM 3583 OD1 ASN B 168 47.865 -58.642 20.459 1.00 9.63 O -ATOM 3584 ND2 ASN B 168 49.957 -59.022 19.754 1.00 7.51 N -ATOM 3585 C ASN B 168 47.367 -55.328 17.897 1.00 6.11 C -ATOM 3586 O ASN B 168 47.718 -54.360 18.568 1.00 6.37 O -ATOM 3587 N LEU B 169 46.962 -55.213 16.629 1.00 6.11 N -ATOM 3588 CA LEU B 169 46.946 -53.903 15.959 1.00 5.89 C -ATOM 3589 CB LEU B 169 46.722 -54.060 14.465 1.00 5.61 C -ATOM 3590 CG LEU B 169 48.010 -54.328 13.707 1.00 5.45 C -ATOM 3591 CD1 LEU B 169 47.692 -54.810 12.314 1.00 5.53 C -ATOM 3592 CD2 LEU B 169 48.895 -53.117 13.661 1.00 5.96 C -ATOM 3593 C LEU B 169 45.861 -53.015 16.549 1.00 5.69 C -ATOM 3594 O LEU B 169 45.992 -51.784 16.450 1.00 6.03 O -ATOM 3595 N LYS B 170 44.847 -53.568 17.209 1.00 6.33 N -ATOM 3596 CA LYS B 170 43.758 -52.743 17.741 1.00 7.25 C -ATOM 3597 CB LYS B 170 42.604 -53.577 18.285 1.00 8.16 C -ATOM 3598 CG LYS B 170 41.427 -52.709 18.730 1.00 9.44 C -ATOM 3599 CD LYS B 170 40.224 -53.517 19.158 1.00 12.71 C -ATOM 3600 CE LYS B 170 40.430 -54.171 20.500 1.00 17.63 C -ATOM 3601 NZ LYS B 170 39.263 -54.959 20.895 1.00 21.64 N -ATOM 3602 C LYS B 170 44.318 -51.812 18.819 1.00 8.60 C -ATOM 3603 O LYS B 170 44.923 -52.284 19.779 1.00 9.70 O -ATOM 3604 N GLY B 171 44.131 -50.509 18.656 1.00 9.47 N -ATOM 3605 CA GLY B 171 44.665 -49.484 19.579 1.00 10.04 C -ATOM 3606 C GLY B 171 46.106 -49.113 19.267 1.00 11.18 C -ATOM 3607 O GLY B 171 46.656 -48.254 20.020 1.00 14.23 O -ATOM 3608 N LYS B 172 46.691 -49.617 18.173 1.00 9.60 N -ATOM 3609 CA LYS B 172 48.119 -49.317 17.892 1.00 10.21 C -ATOM 3610 CB LYS B 172 48.919 -50.615 17.877 1.00 11.30 C -ATOM 3611 CG LYS B 172 48.903 -51.260 19.258 1.00 15.52 C -ATOM 3612 CD LYS B 172 49.841 -52.396 19.545 1.00 19.37 C -ATOM 3613 CE LYS B 172 49.699 -53.012 20.929 1.00 19.35 C -ATOM 3614 NZ LYS B 172 48.990 -54.328 20.986 1.00 17.28 N -ATOM 3615 C LYS B 172 48.216 -48.502 16.618 1.00 8.83 C -ATOM 3616 O LYS B 172 47.311 -48.559 15.744 1.00 11.11 O -ATOM 3617 N SER B 173 49.268 -47.717 16.504 1.00 9.65 N -ATOM 3618 CA SER B 173 49.580 -46.908 15.309 1.00 9.46 C -ATOM 3619 CB SER B 173 50.072 -45.576 15.700 1.00 10.93 C -ATOM 3620 OG SER B 173 49.110 -44.894 16.445 1.00 14.17 O -ATOM 3621 C SER B 173 50.652 -47.608 14.473 1.00 9.13 C -ATOM 3622 O SER B 173 51.672 -48.108 15.029 1.00 9.74 O -ATOM 3623 N TRP B 174 50.476 -47.615 13.160 1.00 8.22 N -ATOM 3624 CA TRP B 174 51.541 -47.988 12.207 1.00 7.05 C -ATOM 3625 CB TRP B 174 50.957 -48.075 10.805 1.00 7.06 C -ATOM 3626 CG TRP B 174 50.058 -49.249 10.539 1.00 6.61 C -ATOM 3627 CD1 TRP B 174 49.012 -49.721 11.292 1.00 6.95 C -ATOM 3628 NE1 TRP B 174 48.452 -50.808 10.673 1.00 7.10 N -ATOM 3629 CE2 TRP B 174 49.104 -51.063 9.506 1.00 6.91 C -ATOM 3630 CD2 TRP B 174 50.133 -50.113 9.394 1.00 7.06 C -ATOM 3631 CE3 TRP B 174 50.996 -50.188 8.292 1.00 7.87 C -ATOM 3632 CZ3 TRP B 174 50.813 -51.210 7.391 1.00 8.15 C -ATOM 3633 CH2 TRP B 174 49.767 -52.132 7.511 1.00 7.91 C -ATOM 3634 CZ2 TRP B 174 48.932 -52.094 8.591 1.00 8.10 C -ATOM 3635 C TRP B 174 52.590 -46.897 12.238 1.00 7.00 C -ATOM 3636 O TRP B 174 52.322 -45.799 12.714 1.00 7.47 O -ATOM 3637 N PRO B 175 53.801 -47.146 11.691 1.00 6.88 N -ATOM 3638 CA PRO B 175 54.735 -46.046 11.448 1.00 6.51 C -ATOM 3639 CB PRO B 175 55.862 -46.707 10.664 1.00 7.11 C -ATOM 3640 CG PRO B 175 55.750 -48.177 11.035 1.00 7.42 C -ATOM 3641 CD PRO B 175 54.269 -48.452 11.185 1.00 7.22 C -ATOM 3642 C PRO B 175 54.032 -44.952 10.639 1.00 6.67 C -ATOM 3643 O PRO B 175 53.127 -45.197 9.886 1.00 6.75 O -ATOM 3644 N THR B 176 54.493 -43.723 10.821 1.00 7.23 N -ATOM 3645 CA THR B 176 53.949 -42.556 10.089 1.00 7.66 C -ATOM 3646 CB THR B 176 54.403 -41.233 10.715 1.00 8.05 C -ATOM 3647 OG1 THR B 176 55.828 -41.140 10.569 1.00 8.40 O -ATOM 3648 CG2 THR B 176 54.022 -41.134 12.166 1.00 8.95 C -ATOM 3649 C THR B 176 54.436 -42.575 8.643 1.00 7.71 C -ATOM 3650 O THR B 176 55.360 -43.333 8.284 1.00 7.68 O -ATOM 3651 N ALA B 177 53.771 -41.798 7.799 1.00 7.85 N -ATOM 3652 CA ALA B 177 54.236 -41.669 6.421 1.00 8.79 C -ATOM 3653 CB ALA B 177 53.364 -40.687 5.705 1.00 8.96 C -ATOM 3654 C ALA B 177 55.698 -41.219 6.405 1.00 8.74 C -ATOM 3655 O ALA B 177 56.462 -41.718 5.576 1.00 9.09 O -ATOM 3656 N ASN B 178 56.076 -40.266 7.260 1.00 9.52 N -ATOM 3657 CA ASN B 178 57.498 -39.868 7.352 1.00 10.44 C -ATOM 3658 CB ASN B 178 57.706 -38.759 8.389 1.00 12.73 C -ATOM 3659 CG ASN B 178 59.082 -38.137 8.304 1.00 16.37 C -ATOM 3660 OD1 ASN B 178 59.415 -37.540 7.277 1.00 22.53 O -ATOM 3661 ND2 ASN B 178 59.859 -38.256 9.361 1.00 22.99 N -ATOM 3662 C ASN B 178 58.385 -41.086 7.661 1.00 9.05 C -ATOM 3663 O ASN B 178 59.466 -41.254 7.029 1.00 9.93 O -ATOM 3664 N ASP B 179 58.023 -41.905 8.634 1.00 8.79 N -ATOM 3665 CA ASP B 179 58.810 -43.117 8.997 1.00 9.22 C -ATOM 3666 CB ASP B 179 58.104 -43.896 10.100 1.00 9.70 C -ATOM 3667 CG ASP B 179 58.046 -43.244 11.477 1.00 10.31 C -ATOM 3668 OD1 ASP B 179 58.895 -42.330 11.800 1.00 14.61 O -ATOM 3669 OD2 ASP B 179 57.140 -43.607 12.246 1.00 10.83 O -ATOM 3670 C ASP B 179 58.946 -44.035 7.785 1.00 8.66 C -ATOM 3671 O ASP B 179 59.943 -44.761 7.684 1.00 8.96 O -ATOM 3672 N LEU B 180 57.927 -44.001 6.924 1.00 7.89 N -ATOM 3673 CA LEU B 180 57.824 -44.919 5.761 1.00 7.49 C -ATOM 3674 CB LEU B 180 56.404 -45.451 5.581 1.00 7.22 C -ATOM 3675 CG LEU B 180 55.925 -46.325 6.729 1.00 7.36 C -ATOM 3676 CD1 LEU B 180 54.434 -46.560 6.632 1.00 7.60 C -ATOM 3677 CD2 LEU B 180 56.648 -47.646 6.719 1.00 8.03 C -ATOM 3678 C LEU B 180 58.326 -44.267 4.480 1.00 7.25 C -ATOM 3679 O LEU B 180 58.116 -44.793 3.421 1.00 7.30 O -ATOM 3680 N GLN B 181 59.132 -43.200 4.568 1.00 7.98 N -ATOM 3681 CA GLN B 181 59.735 -42.626 3.343 1.00 8.93 C -ATOM 3682 CB GLN B 181 60.708 -41.499 3.655 1.00 10.51 C -ATOM 3683 CG GLN B 181 60.038 -40.169 3.913 1.00 13.50 C -ATOM 3684 CD GLN B 181 61.052 -39.138 4.336 1.00 18.01 C -ATOM 3685 OE1 GLN B 181 62.269 -39.362 4.229 1.00 31.14 O -ATOM 3686 NE2 GLN B 181 60.564 -38.028 4.870 1.00 22.59 N -ATOM 3687 C GLN B 181 60.502 -43.697 2.574 1.00 7.69 C -ATOM 3688 O GLN B 181 61.288 -44.468 3.162 1.00 8.38 O -ATOM 3689 N GLY B 182 60.276 -43.710 1.286 1.00 7.36 N -ATOM 3690 CA GLY B 182 60.999 -44.606 0.380 1.00 7.20 C -ATOM 3691 C GLY B 182 60.574 -46.056 0.465 1.00 7.06 C -ATOM 3692 O GLY B 182 61.165 -46.885 -0.157 1.00 7.68 O -ATOM 3693 N LYS B 183 59.528 -46.388 1.227 1.00 7.06 N -ATOM 3694 CA LYS B 183 59.105 -47.789 1.378 1.00 7.09 C -ATOM 3695 CB LYS B 183 58.525 -48.064 2.761 1.00 7.57 C -ATOM 3696 CG LYS B 183 59.458 -47.726 3.917 1.00 8.58 C -ATOM 3697 CD LYS B 183 60.890 -48.184 3.719 1.00 10.20 C -ATOM 3698 CE LYS B 183 61.368 -49.203 4.717 1.00 19.42 C -ATOM 3699 NZ LYS B 183 61.213 -50.552 4.150 1.00 25.10 N -ATOM 3700 C LYS B 183 58.111 -48.214 0.289 1.00 6.53 C -ATOM 3701 O LYS B 183 57.372 -47.376 -0.252 1.00 6.92 O -ATOM 3702 N VAL B 184 58.096 -49.516 0.054 1.00 6.31 N -ATOM 3703 CA VAL B 184 57.075 -50.184 -0.806 1.00 6.71 C -ATOM 3704 CB VAL B 184 57.743 -50.804 -2.040 1.00 6.50 C -ATOM 3705 CG1 VAL B 184 56.788 -51.648 -2.839 1.00 7.68 C -ATOM 3706 CG2 VAL B 184 58.422 -49.737 -2.894 1.00 7.15 C -ATOM 3707 C VAL B 184 56.388 -51.253 0.043 1.00 6.26 C -ATOM 3708 O VAL B 184 57.060 -52.037 0.698 1.00 6.55 O -ATOM 3709 N LEU B 185 55.068 -51.205 0.062 1.00 6.40 N -ATOM 3710 CA LEU B 185 54.229 -52.198 0.783 1.00 6.29 C -ATOM 3711 CB LEU B 185 53.192 -51.495 1.641 1.00 6.51 C -ATOM 3712 CG LEU B 185 53.729 -50.908 2.938 1.00 6.96 C -ATOM 3713 CD1 LEU B 185 54.521 -49.630 2.732 1.00 8.95 C -ATOM 3714 CD2 LEU B 185 52.579 -50.604 3.902 1.00 8.58 C -ATOM 3715 C LEU B 185 53.532 -53.019 -0.275 1.00 6.40 C -ATOM 3716 O LEU B 185 52.862 -52.432 -1.165 1.00 7.69 O -ATOM 3717 N LEU B 186 53.662 -54.342 -0.209 1.00 5.70 N -ATOM 3718 CA LEU B 186 53.000 -55.261 -1.145 1.00 6.29 C -ATOM 3719 CB LEU B 186 54.011 -56.321 -1.564 1.00 6.71 C -ATOM 3720 CG LEU B 186 55.295 -55.795 -2.220 1.00 7.85 C -ATOM 3721 CD1 LEU B 186 56.165 -56.995 -2.611 1.00 8.48 C -ATOM 3722 CD2 LEU B 186 55.008 -54.872 -3.416 1.00 8.39 C -ATOM 3723 C LEU B 186 51.796 -55.884 -0.473 1.00 5.71 C -ATOM 3724 O LEU B 186 51.907 -56.293 0.709 1.00 6.17 O -ATOM 3725 N VAL B 187 50.717 -56.007 -1.198 1.00 5.49 N -ATOM 3726 CA VAL B 187 49.442 -56.532 -0.654 1.00 6.22 C -ATOM 3727 CB VAL B 187 48.404 -55.411 -0.533 1.00 6.38 C -ATOM 3728 CG1 VAL B 187 47.135 -55.887 0.100 1.00 7.17 C -ATOM 3729 CG2 VAL B 187 48.960 -54.209 0.208 1.00 6.36 C -ATOM 3730 C VAL B 187 48.932 -57.634 -1.565 1.00 6.12 C -ATOM 3731 O VAL B 187 48.889 -57.436 -2.780 1.00 8.51 O -ATOM 3732 N LEU B 188 48.547 -58.776 -1.027 1.00 5.90 N -ATOM 3733 CA LEU B 188 47.986 -59.886 -1.800 1.00 6.43 C -ATOM 3734 CB LEU B 188 48.518 -61.213 -1.263 1.00 7.05 C -ATOM 3735 CG LEU B 188 48.155 -62.437 -2.105 1.00 7.26 C -ATOM 3736 CD1 LEU B 188 48.762 -62.382 -3.531 1.00 7.48 C -ATOM 3737 CD2 LEU B 188 48.618 -63.726 -1.427 1.00 8.24 C -ATOM 3738 C LEU B 188 46.481 -59.847 -1.730 1.00 6.33 C -ATOM 3739 O LEU B 188 45.923 -59.813 -0.619 1.00 7.02 O -ATOM 3740 N ASN B 189 45.833 -59.842 -2.891 1.00 6.30 N -ATOM 3741 CA ASN B 189 44.388 -60.113 -3.003 1.00 6.64 C -ATOM 3742 CB ASN B 189 43.650 -58.951 -3.663 1.00 7.35 C -ATOM 3743 CG ASN B 189 43.602 -57.660 -2.860 1.00 7.75 C -ATOM 3744 OD1 ASN B 189 44.013 -57.584 -1.696 1.00 10.69 O -ATOM 3745 ND2 ASN B 189 43.117 -56.614 -3.468 1.00 7.53 N -ATOM 3746 C ASN B 189 44.162 -61.354 -3.844 1.00 6.90 C -ATOM 3747 O ASN B 189 45.012 -61.741 -4.660 1.00 6.84 O -ATOM 3748 N HIS B 190 42.994 -61.942 -3.672 1.00 7.31 N -ATOM 3749 CA HIS B 190 42.513 -63.075 -4.481 1.00 7.65 C -ATOM 3750 CB HIS B 190 43.242 -64.398 -4.121 1.00 8.18 C -ATOM 3751 CG HIS B 190 42.914 -65.529 -5.039 1.00 8.51 C -ATOM 3752 ND1 HIS B 190 41.733 -66.225 -5.027 1.00 8.29 N -ATOM 3753 CE1 HIS B 190 41.773 -67.122 -5.995 1.00 9.01 C -ATOM 3754 NE2 HIS B 190 42.924 -67.035 -6.629 1.00 9.62 N -ATOM 3755 CD2 HIS B 190 43.651 -66.045 -6.061 1.00 9.60 C -ATOM 3756 C HIS B 190 40.994 -63.117 -4.260 1.00 7.59 C -ATOM 3757 O HIS B 190 40.548 -62.712 -3.185 1.00 8.47 O -ATOM 3758 N SER B 191 40.228 -63.660 -5.205 1.00 8.28 N -ATOM 3759 CA SER B 191 38.787 -63.796 -4.977 1.00 8.91 C -ATOM 3760 CB SER B 191 38.080 -64.252 -6.226 1.00 10.17 C -ATOM 3761 OG SER B 191 38.438 -65.557 -6.608 1.00 14.89 O -ATOM 3762 C SER B 191 38.553 -64.741 -3.795 1.00 8.41 C -ATOM 3763 O SER B 191 37.445 -64.661 -3.220 1.00 8.91 O -ATOM 3764 N GLU B 192 39.440 -65.701 -3.551 1.00 7.83 N -ATOM 3765 CA GLU B 192 39.191 -66.737 -2.535 1.00 7.91 C -ATOM 3766 CB GLU B 192 39.393 -68.115 -3.150 1.00 9.60 C -ATOM 3767 CG GLU B 192 38.445 -68.426 -4.305 1.00 11.93 C -ATOM 3768 CD GLU B 192 38.858 -69.702 -5.004 1.00 15.29 C -ATOM 3769 OE1 GLU B 192 39.266 -70.623 -4.322 1.00 17.40 O -ATOM 3770 OE2 GLU B 192 38.856 -69.711 -6.241 1.00 21.70 O -ATOM 3771 C GLU B 192 40.188 -66.559 -1.399 1.00 6.70 C -ATOM 3772 O GLU B 192 41.410 -66.733 -1.611 1.00 7.54 O -ATOM 3773 N ASN B 193 39.680 -66.368 -0.204 1.00 6.24 N -ATOM 3774 CA ASN B 193 40.528 -66.211 0.981 1.00 6.26 C -ATOM 3775 CB ASN B 193 39.685 -65.895 2.202 1.00 6.30 C -ATOM 3776 CG ASN B 193 39.152 -64.502 2.170 1.00 6.60 C -ATOM 3777 OD1 ASN B 193 39.611 -63.665 1.383 1.00 7.18 O -ATOM 3778 ND2 ASN B 193 38.223 -64.214 3.061 1.00 6.44 N -ATOM 3779 C ASN B 193 41.382 -67.460 1.223 1.00 6.25 C -ATOM 3780 O ASN B 193 42.441 -67.336 1.818 1.00 6.15 O -ATOM 3781 N GLN B 194 40.945 -68.625 0.777 1.00 6.49 N -ATOM 3782 CA GLN B 194 41.779 -69.825 0.963 1.00 7.66 C -ATOM 3783 CB GLN B 194 41.037 -71.078 0.530 1.00 10.56 C -ATOM 3784 CG GLN B 194 40.700 -71.188 -0.921 1.00 14.59 C -ATOM 3785 CD GLN B 194 39.859 -72.429 -1.113 1.00 17.78 C -ATOM 3786 OE1 GLN B 194 39.909 -73.376 -0.322 1.00 20.39 O -ATOM 3787 NE2 GLN B 194 39.081 -72.456 -2.181 1.00 19.46 N -ATOM 3788 C GLN B 194 43.138 -69.647 0.301 1.00 7.04 C -ATOM 3789 O GLN B 194 44.111 -70.208 0.843 1.00 7.17 O -ATOM 3790 N LYS B 195 43.237 -68.936 -0.807 1.00 6.90 N -ATOM 3791 CA LYS B 195 44.573 -68.741 -1.433 1.00 7.08 C -ATOM 3792 CB LYS B 195 44.446 -68.109 -2.818 1.00 8.70 C -ATOM 3793 CG LYS B 195 44.196 -69.128 -3.927 1.00 10.32 C -ATOM 3794 CD LYS B 195 43.006 -70.056 -3.771 1.00 10.47 C -ATOM 3795 CE LYS B 195 42.877 -70.955 -4.988 1.00 13.05 C -ATOM 3796 NZ LYS B 195 41.796 -71.953 -4.835 1.00 13.81 N -ATOM 3797 C LYS B 195 45.450 -67.875 -0.535 1.00 6.53 C -ATOM 3798 O LYS B 195 46.704 -68.079 -0.522 1.00 7.08 O -ATOM 3799 N LEU B 196 44.881 -66.893 0.153 1.00 6.37 N -ATOM 3800 CA LEU B 196 45.658 -66.094 1.121 1.00 6.52 C -ATOM 3801 CB LEU B 196 44.887 -64.862 1.600 1.00 7.46 C -ATOM 3802 CG LEU B 196 44.622 -63.784 0.550 1.00 10.27 C -ATOM 3803 CD1 LEU B 196 43.961 -62.555 1.175 1.00 10.18 C -ATOM 3804 CD2 LEU B 196 45.774 -63.441 -0.351 1.00 14.18 C -ATOM 3805 C LEU B 196 46.059 -66.974 2.295 1.00 6.09 C -ATOM 3806 O LEU B 196 47.166 -66.789 2.846 1.00 6.63 O -ATOM 3807 N SER B 197 45.180 -67.877 2.725 1.00 5.85 N -ATOM 3808 CA SER B 197 45.491 -68.728 3.885 1.00 5.94 C -ATOM 3809 CB SER B 197 44.296 -69.523 4.310 1.00 6.32 C -ATOM 3810 OG SER B 197 44.474 -70.107 5.562 1.00 6.94 O -ATOM 3811 C SER B 197 46.662 -69.627 3.527 1.00 5.99 C -ATOM 3812 O SER B 197 47.539 -69.852 4.338 1.00 6.46 O -ATOM 3813 N GLN B 198 46.675 -70.114 2.300 1.00 5.93 N -ATOM 3814 CA GLN B 198 47.762 -71.003 1.825 1.00 6.77 C -ATOM 3815 CB GLN B 198 47.420 -71.549 0.439 1.00 7.55 C -ATOM 3816 CG GLN B 198 46.247 -72.515 0.463 1.00 9.22 C -ATOM 3817 CD GLN B 198 45.540 -72.623 -0.860 1.00 11.14 C -ATOM 3818 OE1 GLN B 198 45.964 -72.139 -1.894 1.00 12.23 O -ATOM 3819 NE2 GLN B 198 44.423 -73.328 -0.858 1.00 14.71 N -ATOM 3820 C GLN B 198 49.065 -70.214 1.814 1.00 5.90 C -ATOM 3821 O GLN B 198 50.106 -70.750 2.270 1.00 6.47 O -ATOM 3822 N TYR B 199 49.040 -68.973 1.374 1.00 5.57 N -ATOM 3823 CA TYR B 199 50.264 -68.147 1.367 1.00 6.12 C -ATOM 3824 CB TYR B 199 49.973 -66.813 0.685 1.00 6.19 C -ATOM 3825 CG TYR B 199 51.104 -65.815 0.759 1.00 5.85 C -ATOM 3826 CD1 TYR B 199 52.177 -65.846 -0.120 1.00 5.99 C -ATOM 3827 CE1 TYR B 199 53.247 -64.980 0.015 1.00 6.01 C -ATOM 3828 CZ TYR B 199 53.251 -64.057 1.046 1.00 6.14 C -ATOM 3829 OH TYR B 199 54.300 -63.197 1.210 1.00 6.59 O -ATOM 3830 CE2 TYR B 199 52.186 -64.021 1.933 1.00 6.59 C -ATOM 3831 CD2 TYR B 199 51.133 -64.897 1.791 1.00 6.54 C -ATOM 3832 C TYR B 199 50.775 -67.975 2.795 1.00 5.82 C -ATOM 3833 O TYR B 199 51.952 -68.163 3.035 1.00 6.39 O -ATOM 3834 N ALA B 200 49.901 -67.580 3.719 1.00 5.70 N -ATOM 3835 CA ALA B 200 50.344 -67.283 5.102 1.00 6.02 C -ATOM 3836 CB ALA B 200 49.214 -66.658 5.904 1.00 6.64 C -ATOM 3837 C ALA B 200 50.815 -68.552 5.813 1.00 6.21 C -ATOM 3838 O ALA B 200 51.773 -68.452 6.584 1.00 6.90 O -ATOM 3839 N GLU B 201 50.163 -69.690 5.586 1.00 6.56 N -ATOM 3840 CA GLU B 201 50.640 -70.948 6.198 1.00 6.95 C -ATOM 3841 CB GLU B 201 49.662 -72.104 5.960 1.00 7.35 C -ATOM 3842 CG GLU B 201 50.105 -73.358 6.676 1.00 8.52 C -ATOM 3843 CD GLU B 201 49.094 -74.491 6.690 1.00 8.85 C -ATOM 3844 OE1 GLU B 201 47.958 -74.298 6.187 1.00 9.96 O -ATOM 3845 OE2 GLU B 201 49.405 -75.607 7.167 1.00 8.90 O -ATOM 3846 C GLU B 201 52.041 -71.262 5.674 1.00 6.36 C -ATOM 3847 O GLU B 201 52.865 -71.782 6.413 1.00 6.33 O -ATOM 3848 N ALA B 202 52.301 -71.004 4.405 1.00 6.32 N -ATOM 3849 CA ALA B 202 53.616 -71.286 3.808 1.00 6.53 C -ATOM 3850 CB ALA B 202 53.496 -71.196 2.296 1.00 6.69 C -ATOM 3851 C ALA B 202 54.679 -70.321 4.306 1.00 6.67 C -ATOM 3852 O ALA B 202 55.811 -70.792 4.575 1.00 8.20 O -ATOM 3853 N ARG B 203 54.388 -69.045 4.417 1.00 6.41 N -ATOM 3854 CA ARG B 203 55.446 -68.037 4.623 1.00 6.42 C -ATOM 3855 CB ARG B 203 55.166 -66.837 3.706 1.00 6.01 C -ATOM 3856 C ARG B 203 55.502 -67.546 6.066 1.00 6.91 C -ATOM 3857 O ARG B 203 56.536 -66.998 6.438 1.00 7.05 O -ATOM 3858 N THR B 204 54.411 -67.650 6.809 1.00 6.84 N -ATOM 3859 CA THR B 204 54.334 -67.184 8.207 1.00 7.67 C -ATOM 3860 CB THR B 204 54.730 -68.311 9.196 1.00 8.57 C -ATOM 3861 OG1 THR B 204 56.103 -68.643 9.008 1.00 9.95 O -ATOM 3862 CG2 THR B 204 53.847 -69.552 9.089 1.00 9.48 C -ATOM 3863 C THR B 204 55.019 -65.814 8.354 1.00 7.09 C -ATOM 3864 O THR B 204 54.713 -64.884 7.604 1.00 7.43 O -ATOM 3865 N SER B 205 55.870 -65.639 9.356 1.00 8.11 N -ATOM 3866 CA SER B 205 56.442 -64.309 9.653 1.00 9.32 C -ATOM 3867 CB SER B 205 57.033 -64.328 11.040 1.00 10.12 C -ATOM 3868 OG SER B 205 56.016 -64.387 12.010 1.00 12.72 O -ATOM 3869 C SER B 205 57.476 -63.860 8.611 1.00 8.37 C -ATOM 3870 O SER B 205 57.915 -62.739 8.665 1.00 9.28 O -ATOM 3871 N LYS B 206 57.931 -64.760 7.752 1.00 8.41 N -ATOM 3872 CA LYS B 206 58.886 -64.432 6.667 1.00 9.09 C -ATOM 3873 CB LYS B 206 59.545 -65.717 6.179 1.00 10.81 C -ATOM 3874 CG LYS B 206 60.306 -66.509 7.241 1.00 12.75 C -ATOM 3875 CD LYS B 206 60.674 -67.938 6.863 1.00 16.28 C -ATOM 3876 CE LYS B 206 61.702 -68.532 7.808 1.00 22.00 C -ATOM 3877 NZ LYS B 206 62.804 -67.580 8.126 1.00 25.88 N -ATOM 3878 C LYS B 206 58.171 -63.735 5.499 1.00 7.61 C -ATOM 3879 O LYS B 206 58.872 -63.258 4.616 1.00 8.60 O -ATOM 3880 N ALA B 207 56.839 -63.694 5.497 1.00 6.33 N -ATOM 3881 CA ALA B 207 56.097 -63.216 4.334 1.00 6.50 C -ATOM 3882 CB ALA B 207 54.634 -63.164 4.685 1.00 6.78 C -ATOM 3883 C ALA B 207 56.615 -61.849 3.898 1.00 6.62 C -ATOM 3884 O ALA B 207 56.742 -60.908 4.704 1.00 7.58 O -ATOM 3885 N LYS B 208 56.796 -61.675 2.607 1.00 5.94 N -ATOM 3886 CA LYS B 208 57.157 -60.340 2.054 1.00 6.71 C -ATOM 3887 CB LYS B 208 57.984 -60.521 0.784 1.00 7.42 C -ATOM 3888 CG LYS B 208 59.308 -61.244 1.022 1.00 7.99 C -ATOM 3889 CD LYS B 208 60.219 -60.516 1.965 1.00 9.86 C -ATOM 3890 CE LYS B 208 61.614 -61.111 2.073 1.00 11.06 C -ATOM 3891 NZ LYS B 208 62.396 -60.481 3.152 1.00 14.03 N -ATOM 3892 C LYS B 208 55.915 -59.499 1.808 1.00 6.15 C -ATOM 3893 O LYS B 208 56.093 -58.303 1.480 1.00 7.02 O -ATOM 3894 N VAL B 209 54.744 -60.112 1.787 1.00 5.64 N -ATOM 3895 CA VAL B 209 53.518 -59.446 1.329 1.00 6.32 C -ATOM 3896 CB VAL B 209 53.059 -60.169 0.066 1.00 7.64 C -ATOM 3897 CG1 VAL B 209 51.827 -59.606 -0.583 1.00 8.72 C -ATOM 3898 CG2 VAL B 209 54.163 -60.212 -0.973 1.00 8.29 C -ATOM 3899 C VAL B 209 52.482 -59.528 2.429 1.00 5.65 C -ATOM 3900 O VAL B 209 52.391 -60.560 3.113 1.00 6.80 O -ATOM 3901 N PHE B 210 51.723 -58.448 2.586 1.00 5.48 N -ATOM 3902 CA PHE B 210 50.561 -58.415 3.495 1.00 5.59 C -ATOM 3903 CB PHE B 210 50.140 -56.967 3.718 1.00 5.81 C -ATOM 3904 CG PHE B 210 51.082 -56.184 4.572 1.00 5.53 C -ATOM 3905 CD2 PHE B 210 50.873 -56.097 5.931 1.00 6.13 C -ATOM 3906 CE2 PHE B 210 51.738 -55.368 6.736 1.00 6.66 C -ATOM 3907 CZ PHE B 210 52.816 -54.747 6.190 1.00 6.12 C -ATOM 3908 CD1 PHE B 210 52.176 -55.548 4.024 1.00 5.92 C -ATOM 3909 CE1 PHE B 210 53.056 -54.837 4.827 1.00 6.22 C -ATOM 3910 C PHE B 210 49.368 -59.111 2.837 1.00 5.54 C -ATOM 3911 O PHE B 210 48.996 -58.752 1.717 1.00 7.54 O -ATOM 3912 N ILE B 211 48.720 -60.035 3.533 1.00 5.70 N -ATOM 3913 CA ILE B 211 47.462 -60.603 3.006 1.00 5.76 C -ATOM 3914 CB ILE B 211 47.207 -62.041 3.506 1.00 6.12 C -ATOM 3915 CG1 ILE B 211 47.100 -62.166 5.029 1.00 6.90 C -ATOM 3916 CG2 ILE B 211 48.256 -62.965 2.923 1.00 6.65 C -ATOM 3917 CD1 ILE B 211 46.477 -63.485 5.442 1.00 7.96 C -ATOM 3918 C ILE B 211 46.310 -59.649 3.338 1.00 5.97 C -ATOM 3919 O ILE B 211 46.240 -59.113 4.455 1.00 6.28 O -ATOM 3920 N SER B 212 45.383 -59.507 2.408 1.00 5.62 N -ATOM 3921 CA SER B 212 44.199 -58.662 2.618 1.00 5.60 C -ATOM 3922 CB SER B 212 44.354 -57.381 1.868 1.00 5.85 C -ATOM 3923 OG SER B 212 43.305 -56.520 2.215 1.00 6.34 O -ATOM 3924 C SER B 212 42.978 -59.428 2.191 1.00 5.81 C -ATOM 3925 O SER B 212 42.615 -59.387 1.016 1.00 5.84 O -ATOM 3926 N PRO B 213 42.297 -60.120 3.115 1.00 5.47 N -ATOM 3927 CA PRO B 213 41.196 -60.978 2.715 1.00 5.82 C -ATOM 3928 CB PRO B 213 40.928 -61.754 3.988 1.00 7.07 C -ATOM 3929 CG PRO B 213 41.434 -60.966 5.107 1.00 7.48 C -ATOM 3930 CD PRO B 213 42.641 -60.228 4.558 1.00 6.13 C -ATOM 3931 C PRO B 213 39.955 -60.206 2.288 1.00 5.51 C -ATOM 3932 O PRO B 213 39.710 -59.086 2.750 1.00 5.89 O -ATOM 3933 N VAL B 214 39.193 -60.859 1.425 1.00 5.65 N -ATOM 3934 CA VAL B 214 37.810 -60.442 1.111 1.00 6.06 C -ATOM 3935 CB VAL B 214 37.161 -61.462 0.173 1.00 7.02 C -ATOM 3936 CG1 VAL B 214 35.680 -61.183 -0.022 1.00 7.55 C -ATOM 3937 CG2 VAL B 214 37.855 -61.502 -1.178 1.00 7.44 C -ATOM 3938 C VAL B 214 37.047 -60.354 2.421 1.00 5.62 C -ATOM 3939 O VAL B 214 37.053 -61.312 3.199 1.00 6.42 O -ATOM 3940 N THR B 215 36.427 -59.226 2.654 1.00 5.34 N -ATOM 3941 CA THR B 215 35.802 -58.876 3.940 1.00 5.93 C -ATOM 3942 CB THR B 215 36.599 -57.728 4.535 1.00 6.10 C -ATOM 3943 OG1 THR B 215 37.948 -58.127 4.732 1.00 6.43 O -ATOM 3944 CG2 THR B 215 36.061 -57.229 5.843 1.00 6.34 C -ATOM 3945 C THR B 215 34.344 -58.537 3.755 1.00 6.11 C -ATOM 3946 O THR B 215 34.029 -57.575 3.051 1.00 6.75 O -ATOM 3947 N ASN B 216 33.498 -59.313 4.415 1.00 6.20 N -ATOM 3948 CA ASN B 216 32.046 -59.053 4.300 1.00 6.59 C -ATOM 3949 CB ASN B 216 31.371 -59.795 3.148 1.00 7.40 C -ATOM 3950 CG ASN B 216 31.647 -61.254 3.190 1.00 8.29 C -ATOM 3951 OD1 ASN B 216 31.679 -61.852 4.224 1.00 9.22 O -ATOM 3952 ND2 ASN B 216 31.837 -61.821 2.027 1.00 10.65 N -ATOM 3953 C ASN B 216 31.390 -59.373 5.644 1.00 6.52 C -ATOM 3954 O ASN B 216 30.131 -59.411 5.719 1.00 8.85 O -ATOM 3955 N GLY B 217 32.144 -59.351 6.722 1.00 6.79 N -ATOM 3956 CA GLY B 217 31.620 -59.498 8.085 1.00 6.39 C -ATOM 3957 C GLY B 217 32.713 -59.225 9.080 1.00 6.13 C -ATOM 3958 O GLY B 217 33.922 -59.253 8.739 1.00 6.24 O -ATOM 3959 N GLN B 218 32.337 -59.031 10.327 1.00 6.24 N -ATOM 3960 CA GLN B 218 33.276 -58.668 11.397 1.00 6.21 C -ATOM 3961 CB GLN B 218 32.525 -58.556 12.716 1.00 5.99 C -ATOM 3962 CG GLN B 218 33.430 -58.145 13.877 1.00 6.53 C -ATOM 3963 CD GLN B 218 33.839 -56.690 13.812 1.00 5.40 C -ATOM 3964 OE1 GLN B 218 33.012 -55.783 13.671 1.00 6.64 O -ATOM 3965 NE2 GLN B 218 35.113 -56.378 14.021 1.00 6.58 N -ATOM 3966 C GLN B 218 34.346 -59.746 11.538 1.00 5.99 C -ATOM 3967 O GLN B 218 35.536 -59.381 11.721 1.00 5.30 O -ATOM 3968 N ASN B 219 33.967 -60.997 11.423 1.00 5.74 N -ATOM 3969 CA ASN B 219 34.956 -62.069 11.614 1.00 6.27 C -ATOM 3970 CB ASN B 219 34.355 -63.463 11.649 1.00 7.17 C -ATOM 3971 CG ASN B 219 33.697 -63.946 10.380 1.00 8.60 C -ATOM 3972 OD1 ASN B 219 32.785 -63.367 9.831 1.00 7.63 O -ATOM 3973 ND2 ASN B 219 33.859 -65.244 10.143 1.00 21.05 N -ATOM 3974 C ASN B 219 36.074 -62.034 10.572 1.00 6.00 C -ATOM 3975 O ASN B 219 37.148 -62.587 10.855 1.00 5.85 O -ATOM 3976 N ASP B 220 35.843 -61.402 9.420 1.00 5.10 N -ATOM 3977 CA ASP B 220 36.892 -61.307 8.414 1.00 5.27 C -ATOM 3978 CB ASP B 220 36.329 -60.970 7.039 1.00 5.64 C -ATOM 3979 CG ASP B 220 35.367 -62.036 6.523 1.00 5.88 C -ATOM 3980 OD1 ASP B 220 35.605 -63.226 6.831 1.00 6.23 O -ATOM 3981 OD2 ASP B 220 34.400 -61.662 5.826 1.00 5.88 O -ATOM 3982 C ASP B 220 37.949 -60.280 8.808 1.00 5.39 C -ATOM 3983 O ASP B 220 39.050 -60.250 8.193 1.00 5.85 O -ATOM 3984 N ILE B 221 37.662 -59.438 9.789 1.00 5.61 N -ATOM 3985 CA ILE B 221 38.616 -58.447 10.348 1.00 5.86 C -ATOM 3986 CB ILE B 221 37.908 -57.133 10.693 1.00 7.51 C -ATOM 3987 CG1 ILE B 221 37.395 -56.522 9.388 1.00 9.04 C -ATOM 3988 CG2 ILE B 221 38.881 -56.189 11.412 1.00 7.12 C -ATOM 3989 CD1 ILE B 221 36.377 -55.443 9.484 1.00 10.68 C -ATOM 3990 C ILE B 221 39.271 -59.063 11.567 1.00 5.46 C -ATOM 3991 O ILE B 221 40.516 -59.130 11.643 1.00 5.65 O -ATOM 3992 N SER B 222 38.459 -59.509 12.517 1.00 5.13 N -ATOM 3993 CA SER B 222 38.924 -59.770 13.900 1.00 5.35 C -ATOM 3994 CB SER B 222 38.266 -58.784 14.831 1.00 5.52 C -ATOM 3995 OG SER B 222 36.852 -58.736 14.589 1.00 5.98 O -ATOM 3996 C SER B 222 38.711 -61.208 14.368 1.00 5.50 C -ATOM 3997 O SER B 222 39.082 -61.497 15.511 1.00 6.45 O -ATOM 3998 N GLY B 223 38.070 -62.039 13.575 1.00 4.95 N -ATOM 3999 CA GLY B 223 37.726 -63.388 14.017 1.00 5.53 C -ATOM 4000 C GLY B 223 38.484 -64.418 13.225 1.00 5.30 C -ATOM 4001 O GLY B 223 39.598 -64.164 12.694 1.00 5.86 O -ATOM 4002 N LYS B 224 37.959 -65.631 13.151 1.00 5.44 N -ATOM 4003 CA LYS B 224 38.492 -66.621 12.202 1.00 5.76 C -ATOM 4004 CB LYS B 224 38.148 -68.036 12.601 1.00 5.96 C -ATOM 4005 CG LYS B 224 38.784 -69.075 11.691 1.00 7.17 C -ATOM 4006 CD LYS B 224 38.609 -70.446 12.189 1.00 8.64 C -ATOM 4007 CE LYS B 224 39.334 -71.530 11.418 1.00 10.42 C -ATOM 4008 NZ LYS B 224 39.053 -71.513 9.980 1.00 17.72 N -ATOM 4009 C LYS B 224 37.947 -66.241 10.834 1.00 5.31 C -ATOM 4010 O LYS B 224 36.734 -66.276 10.572 1.00 6.03 O -ATOM 4011 N VAL B 225 38.833 -65.757 9.977 1.00 5.41 N -ATOM 4012 CA VAL B 225 38.443 -65.156 8.693 1.00 5.39 C -ATOM 4013 CB VAL B 225 39.670 -64.533 8.038 1.00 5.49 C -ATOM 4014 CG1 VAL B 225 39.390 -64.053 6.627 1.00 5.78 C -ATOM 4015 CG2 VAL B 225 40.287 -63.459 8.921 1.00 6.22 C -ATOM 4016 C VAL B 225 37.822 -66.240 7.791 1.00 5.54 C -ATOM 4017 O VAL B 225 38.314 -67.376 7.775 1.00 5.69 O -ATOM 4018 N SER B 226 36.770 -65.872 7.084 1.00 6.25 N -ATOM 4019 CA SER B 226 36.119 -66.784 6.123 1.00 6.07 C -ATOM 4020 CB SER B 226 35.114 -66.049 5.284 1.00 6.89 C -ATOM 4021 OG SER B 226 34.186 -65.310 6.068 1.00 7.24 O -ATOM 4022 C SER B 226 37.158 -67.411 5.214 1.00 6.10 C -ATOM 4023 O SER B 226 37.981 -66.696 4.626 1.00 6.57 O -ATOM 4024 N GLY B 227 37.144 -68.726 5.068 1.00 6.95 N -ATOM 4025 CA GLY B 227 38.068 -69.365 4.127 1.00 7.04 C -ATOM 4026 C GLY B 227 39.488 -69.544 4.622 1.00 7.38 C -ATOM 4027 O GLY B 227 40.336 -70.038 3.800 1.00 7.87 O -ATOM 4028 N MET B 228 39.804 -69.198 5.868 1.00 6.53 N -ATOM 4029 CA MET B 228 41.192 -69.216 6.333 1.00 6.29 C -ATOM 4030 CB MET B 228 41.737 -67.816 6.537 1.00 6.38 C -ATOM 4031 CG MET B 228 41.619 -66.948 5.319 1.00 6.28 C -ATOM 4032 SD MET B 228 43.012 -65.835 5.023 1.00 6.55 S -ATOM 4033 CE MET B 228 43.178 -65.069 6.628 1.00 8.06 C -ATOM 4034 C MET B 228 41.254 -69.991 7.629 1.00 6.31 C -ATOM 4035 O MET B 228 40.241 -70.180 8.341 1.00 7.19 O -ATOM 4036 N SER B 229 42.455 -70.447 7.943 1.00 5.81 N -ATOM 4037 CA SER B 229 42.762 -71.060 9.233 1.00 5.66 C -ATOM 4038 CB SER B 229 44.061 -71.810 9.141 1.00 5.85 C -ATOM 4039 OG SER B 229 45.112 -70.898 8.833 1.00 6.51 O -ATOM 4040 C SER B 229 42.873 -70.015 10.333 1.00 5.48 C -ATOM 4041 O SER B 229 42.986 -68.775 10.070 1.00 5.20 O -ATOM 4042 N SER B 230 42.948 -70.439 11.578 1.00 6.01 N -ATOM 4043 CA SER B 230 43.284 -69.527 12.705 1.00 5.92 C -ATOM 4044 CB SER B 230 43.211 -70.293 14.009 1.00 6.34 C -ATOM 4045 OG SER B 230 41.843 -70.564 14.283 1.00 6.71 O -ATOM 4046 C SER B 230 44.664 -68.913 12.504 1.00 5.55 C -ATOM 4047 O SER B 230 44.821 -67.678 12.654 1.00 5.93 O -ATOM 4048 N GLN B 231 45.629 -69.751 12.205 1.00 5.87 N -ATOM 4049 CA GLN B 231 47.023 -69.291 11.977 1.00 6.16 C -ATOM 4050 CB GLN B 231 47.861 -70.427 11.413 1.00 6.39 C -ATOM 4051 CG GLN B 231 49.246 -70.018 10.930 1.00 7.10 C -ATOM 4052 CD GLN B 231 49.991 -71.187 10.303 1.00 7.92 C -ATOM 4053 OE1 GLN B 231 49.420 -71.901 9.508 1.00 8.25 O -ATOM 4054 NE2 GLN B 231 51.268 -71.319 10.616 1.00 8.48 N -ATOM 4055 C GLN B 231 47.009 -68.138 10.975 1.00 5.98 C -ATOM 4056 O GLN B 231 47.553 -67.060 11.225 1.00 6.26 O -ATOM 4057 N SER B 232 46.368 -68.322 9.835 1.00 5.69 N -ATOM 4058 CA SER B 232 46.457 -67.310 8.770 1.00 5.87 C -ATOM 4059 CB SER B 232 45.955 -67.896 7.501 1.00 6.58 C -ATOM 4060 OG SER B 232 46.848 -68.939 7.110 1.00 7.36 O -ATOM 4061 C SER B 232 45.686 -66.066 9.189 1.00 5.55 C -ATOM 4062 O SER B 232 46.114 -64.964 8.818 1.00 5.41 O -ATOM 4063 N SER B 233 44.560 -66.239 9.856 1.00 5.04 N -ATOM 4064 CA SER B 233 43.770 -65.104 10.343 1.00 4.92 C -ATOM 4065 CB SER B 233 42.579 -65.592 11.110 1.00 5.08 C -ATOM 4066 OG SER B 233 41.650 -66.324 10.293 1.00 6.17 O -ATOM 4067 C SER B 233 44.622 -64.167 11.183 1.00 4.82 C -ATOM 4068 O SER B 233 44.448 -62.959 11.135 1.00 5.32 O -ATOM 4069 N GLY B 234 45.518 -64.750 11.953 1.00 4.71 N -ATOM 4070 CA GLY B 234 46.321 -63.945 12.884 1.00 4.85 C -ATOM 4071 C GLY B 234 47.277 -62.956 12.208 1.00 4.99 C -ATOM 4072 O GLY B 234 47.672 -61.957 12.837 1.00 5.50 O -ATOM 4073 N TYR B 235 47.635 -63.197 10.941 1.00 5.25 N -ATOM 4074 CA TYR B 235 48.547 -62.314 10.179 1.00 5.67 C -ATOM 4075 CB TYR B 235 49.284 -63.117 9.108 1.00 5.82 C -ATOM 4076 CG TYR B 235 50.299 -64.064 9.695 1.00 6.08 C -ATOM 4077 CD1 TYR B 235 51.590 -63.673 10.018 1.00 6.61 C -ATOM 4078 CE1 TYR B 235 52.509 -64.533 10.625 1.00 7.34 C -ATOM 4079 CZ TYR B 235 52.133 -65.836 10.890 1.00 7.34 C -ATOM 4080 OH TYR B 235 53.018 -66.743 11.453 1.00 10.63 O -ATOM 4081 CE2 TYR B 235 50.867 -66.261 10.561 1.00 7.80 C -ATOM 4082 CD2 TYR B 235 49.954 -65.385 9.969 1.00 6.74 C -ATOM 4083 C TYR B 235 47.777 -61.173 9.537 1.00 5.96 C -ATOM 4084 O TYR B 235 48.400 -60.309 8.880 1.00 6.54 O -ATOM 4085 N VAL B 236 46.456 -61.114 9.655 1.00 5.33 N -ATOM 4086 CA VAL B 236 45.668 -60.125 8.900 1.00 5.46 C -ATOM 4087 CB VAL B 236 44.213 -60.551 8.825 1.00 5.36 C -ATOM 4088 CG1 VAL B 236 43.368 -59.452 8.192 1.00 5.62 C -ATOM 4089 CG2 VAL B 236 44.070 -61.843 8.032 1.00 5.64 C -ATOM 4090 C VAL B 236 45.826 -58.710 9.457 1.00 5.10 C -ATOM 4091 O VAL B 236 45.424 -58.430 10.597 1.00 6.15 O -ATOM 4092 N ALA B 237 46.415 -57.812 8.660 1.00 4.99 N -ATOM 4093 CA ALA B 237 46.622 -56.407 8.992 1.00 5.30 C -ATOM 4094 CB ALA B 237 48.094 -56.122 9.086 1.00 5.53 C -ATOM 4095 C ALA B 237 45.999 -55.486 7.935 1.00 5.59 C -ATOM 4096 O ALA B 237 46.207 -54.263 7.990 1.00 5.18 O -ATOM 4097 N MET B 238 45.289 -56.059 6.997 1.00 5.47 N -ATOM 4098 CA MET B 238 44.648 -55.346 5.860 1.00 5.33 C -ATOM 4099 CB MET B 238 45.581 -55.306 4.662 1.00 5.20 C -ATOM 4100 CG MET B 238 46.860 -54.512 4.882 1.00 5.39 C -ATOM 4101 SD MET B 238 47.529 -54.001 3.316 1.00 6.43 S -ATOM 4102 CE MET B 238 48.968 -53.038 3.785 1.00 7.18 C -ATOM 4103 C MET B 238 43.386 -56.093 5.467 1.00 5.01 C -ATOM 4104 O MET B 238 43.287 -57.302 5.686 1.00 5.43 O -ATOM 4105 N ASN B 239 42.406 -55.352 4.958 1.00 4.74 N -ATOM 4106 CA ASN B 239 41.131 -55.956 4.575 1.00 5.28 C -ATOM 4107 CB ASN B 239 40.091 -55.756 5.658 1.00 5.26 C -ATOM 4108 CG ASN B 239 40.352 -56.630 6.869 1.00 5.55 C -ATOM 4109 OD1 ASN B 239 39.913 -57.808 6.864 1.00 7.12 O -ATOM 4110 ND2 ASN B 239 41.073 -56.105 7.836 1.00 4.70 N -ATOM 4111 C ASN B 239 40.645 -55.362 3.254 1.00 5.65 C -ATOM 4112 O ASN B 239 40.806 -54.148 3.024 1.00 6.51 O -ATOM 4113 N ASN B 240 40.044 -56.176 2.420 1.00 5.90 N -ATOM 4114 CA ASN B 240 39.639 -55.802 1.058 1.00 6.75 C -ATOM 4115 CB ASN B 240 40.293 -56.698 0.014 1.00 9.27 C -ATOM 4116 CG ASN B 240 40.384 -55.925 -1.306 1.00 12.57 C -ATOM 4117 OD1 ASN B 240 40.917 -54.804 -1.379 1.00 14.45 O -ATOM 4118 ND2 ASN B 240 39.834 -56.492 -2.363 1.00 16.84 N -ATOM 4119 C ASN B 240 38.130 -55.895 0.911 1.00 6.27 C -ATOM 4120 O ASN B 240 37.546 -56.964 1.095 1.00 7.08 O -ATOM 4121 N MET B 241 37.476 -54.801 0.560 1.00 6.41 N -ATOM 4122 CA MET B 241 36.000 -54.694 0.565 1.00 7.01 C -ATOM 4123 CB MET B 241 35.521 -53.667 1.585 1.00 7.37 C -ATOM 4124 CG MET B 241 35.667 -54.223 3.018 1.00 8.51 C -ATOM 4125 SD MET B 241 35.922 -52.867 4.191 1.00 10.99 S -ATOM 4126 CE MET B 241 36.389 -53.768 5.661 1.00 18.07 C -ATOM 4127 C MET B 241 35.505 -54.216 -0.786 1.00 7.27 C -ATOM 4128 O MET B 241 36.029 -53.235 -1.325 1.00 7.60 O -ATOM 4129 N GLY B 242 34.482 -54.873 -1.321 1.00 8.15 N -ATOM 4130 CA GLY B 242 33.736 -54.316 -2.445 1.00 8.98 C -ATOM 4131 C GLY B 242 32.783 -53.229 -1.985 1.00 9.06 C -ATOM 4132 O GLY B 242 32.553 -53.015 -0.797 1.00 9.27 O -ATOM 4133 N LYS B 243 32.106 -52.612 -2.952 1.00 9.99 N -ATOM 4134 CA LYS B 243 31.194 -51.480 -2.718 1.00 11.02 C -ATOM 4135 CB LYS B 243 30.582 -51.077 -4.065 1.00 13.13 C -ATOM 4136 CG LYS B 243 29.354 -50.193 -3.954 1.00 14.75 C -ATOM 4137 CD LYS B 243 28.837 -49.771 -5.320 1.00 15.68 C -ATOM 4138 CE LYS B 243 27.670 -48.808 -5.209 1.00 18.46 C -ATOM 4139 NZ LYS B 243 27.078 -48.527 -6.538 1.00 20.94 N -ATOM 4140 C LYS B 243 30.124 -51.850 -1.691 1.00 9.69 C -ATOM 4141 O LYS B 243 29.900 -51.094 -0.743 1.00 10.32 O -ATOM 4142 N GLY B 244 29.609 -53.050 -1.798 1.00 10.07 N -ATOM 4143 CA GLY B 244 28.527 -53.498 -0.919 1.00 11.06 C -ATOM 4144 C GLY B 244 28.977 -53.705 0.516 1.00 10.63 C -ATOM 4145 O GLY B 244 28.135 -53.807 1.413 1.00 12.56 O -ATOM 4146 N ASP B 245 30.275 -53.860 0.727 1.00 9.53 N -ATOM 4147 CA ASP B 245 30.848 -54.250 2.039 1.00 9.57 C -ATOM 4148 CB ASP B 245 31.696 -55.519 1.858 1.00 10.86 C -ATOM 4149 CG ASP B 245 30.863 -56.722 1.360 1.00 11.32 C -ATOM 4150 OD1 ASP B 245 29.753 -56.970 1.941 1.00 15.57 O -ATOM 4151 OD2 ASP B 245 31.256 -57.351 0.359 1.00 16.12 O -ATOM 4152 C ASP B 245 31.572 -53.070 2.666 1.00 9.04 C -ATOM 4153 O ASP B 245 32.234 -53.275 3.712 1.00 8.64 O -ATOM 4154 N LYS B 246 31.486 -51.867 2.106 1.00 8.29 N -ATOM 4155 CA LYS B 246 32.362 -50.779 2.561 1.00 8.74 C -ATOM 4156 CB LYS B 246 32.263 -49.592 1.621 1.00 8.70 C -ATOM 4157 CG LYS B 246 30.931 -48.850 1.672 1.00 9.36 C -ATOM 4158 CD LYS B 246 30.985 -47.657 0.754 1.00 10.73 C -ATOM 4159 CE LYS B 246 29.719 -46.844 0.774 1.00 11.53 C -ATOM 4160 NZ LYS B 246 29.984 -45.582 0.040 1.00 11.05 N -ATOM 4161 C LYS B 246 32.072 -50.352 3.987 1.00 8.32 C -ATOM 4162 O LYS B 246 32.939 -49.705 4.590 1.00 9.33 O -ATOM 4163 N SER B 247 30.910 -50.664 4.538 1.00 8.34 N -ATOM 4164 CA SER B 247 30.615 -50.323 5.938 1.00 9.38 C -ATOM 4165 CB SER B 247 29.224 -50.804 6.332 1.00 11.91 C -ATOM 4166 OG SER B 247 28.196 -50.105 5.668 1.00 19.35 O -ATOM 4167 C SER B 247 31.691 -50.904 6.850 1.00 8.33 C -ATOM 4168 O SER B 247 31.964 -50.318 7.925 1.00 10.09 O -ATOM 4169 N TRP B 248 32.255 -52.039 6.465 1.00 7.46 N -ATOM 4170 CA TRP B 248 33.254 -52.737 7.307 1.00 7.71 C -ATOM 4171 CB TRP B 248 33.504 -54.164 6.830 1.00 8.17 C -ATOM 4172 CG TRP B 248 32.272 -55.003 6.974 1.00 8.95 C -ATOM 4173 CD1 TRP B 248 31.449 -55.482 5.997 1.00 9.87 C -ATOM 4174 NE1 TRP B 248 30.388 -56.129 6.563 1.00 11.49 N -ATOM 4175 CE2 TRP B 248 30.523 -56.109 7.914 1.00 10.46 C -ATOM 4176 CD2 TRP B 248 31.705 -55.393 8.222 1.00 9.89 C -ATOM 4177 CE3 TRP B 248 32.071 -55.224 9.561 1.00 10.32 C -ATOM 4178 CZ3 TRP B 248 31.250 -55.781 10.527 1.00 11.98 C -ATOM 4179 CH2 TRP B 248 30.073 -56.458 10.185 1.00 12.69 C -ATOM 4180 CZ2 TRP B 248 29.695 -56.664 8.890 1.00 12.21 C -ATOM 4181 C TRP B 248 34.552 -51.946 7.409 1.00 8.04 C -ATOM 4182 O TRP B 248 35.393 -52.262 8.287 1.00 7.80 O -ATOM 4183 N ALA B 249 34.774 -50.944 6.564 1.00 7.77 N -ATOM 4184 CA ALA B 249 36.020 -50.156 6.617 1.00 7.52 C -ATOM 4185 CB ALA B 249 36.113 -49.169 5.487 1.00 7.39 C -ATOM 4186 C ALA B 249 36.126 -49.493 7.986 1.00 7.05 C -ATOM 4187 O ALA B 249 37.255 -49.334 8.489 1.00 6.98 O -ATOM 4188 N LYS B 250 35.032 -49.090 8.631 1.00 7.93 N -ATOM 4189 CA LYS B 250 35.083 -48.505 9.995 1.00 8.00 C -ATOM 4190 CB LYS B 250 33.675 -48.098 10.467 1.00 10.98 C -ATOM 4191 CG LYS B 250 33.087 -46.931 9.705 1.00 12.64 C -ATOM 4192 CD LYS B 250 31.693 -46.532 10.184 1.00 16.25 C -ATOM 4193 CE LYS B 250 30.887 -45.851 9.094 1.00 20.07 C -ATOM 4194 NZ LYS B 250 30.572 -46.802 8.002 1.00 21.11 N -ATOM 4195 C LYS B 250 35.669 -49.512 10.981 1.00 7.18 C -ATOM 4196 O LYS B 250 36.363 -49.085 11.917 1.00 7.69 O -ATOM 4197 N GLN B 251 35.411 -50.785 10.760 1.00 6.90 N -ATOM 4198 CA GLN B 251 35.995 -51.807 11.667 1.00 6.78 C -ATOM 4199 CB GLN B 251 35.228 -53.094 11.649 1.00 7.25 C -ATOM 4200 CG GLN B 251 33.912 -52.922 12.396 1.00 7.37 C -ATOM 4201 CD GLN B 251 34.152 -52.946 13.888 1.00 7.13 C -ATOM 4202 OE1 GLN B 251 35.183 -53.406 14.380 1.00 7.93 O -ATOM 4203 NE2 GLN B 251 33.184 -52.463 14.656 1.00 8.89 N -ATOM 4204 C GLN B 251 37.468 -52.049 11.323 1.00 6.45 C -ATOM 4205 O GLN B 251 38.265 -52.297 12.232 1.00 7.01 O -ATOM 4206 N ALA B 252 37.844 -52.030 10.043 1.00 6.55 N -ATOM 4207 CA ALA B 252 39.272 -52.082 9.691 1.00 6.59 C -ATOM 4208 CB ALA B 252 39.468 -51.999 8.221 1.00 6.69 C -ATOM 4209 C ALA B 252 39.959 -50.923 10.431 1.00 6.30 C -ATOM 4210 O ALA B 252 41.002 -51.101 11.066 1.00 6.88 O -ATOM 4211 N PHE B 253 39.391 -49.737 10.349 1.00 6.72 N -ATOM 4212 CA PHE B 253 39.965 -48.536 10.997 1.00 7.09 C -ATOM 4213 CB PHE B 253 39.076 -47.341 10.675 1.00 8.86 C -ATOM 4214 CG PHE B 253 39.434 -46.079 11.399 1.00 10.72 C -ATOM 4215 CD1 PHE B 253 40.518 -45.340 10.974 1.00 12.92 C -ATOM 4216 CE1 PHE B 253 40.853 -44.164 11.617 1.00 15.53 C -ATOM 4217 CZ PHE B 253 40.115 -43.737 12.700 1.00 16.02 C -ATOM 4218 CD2 PHE B 253 38.668 -45.638 12.462 1.00 14.75 C -ATOM 4219 CE2 PHE B 253 39.017 -44.459 13.113 1.00 16.77 C -ATOM 4220 C PHE B 253 40.070 -48.780 12.506 1.00 7.03 C -ATOM 4221 O PHE B 253 41.096 -48.520 13.113 1.00 6.74 O -ATOM 4222 N ALA B 254 39.017 -49.292 13.124 1.00 6.45 N -ATOM 4223 CA ALA B 254 39.042 -49.551 14.578 1.00 6.91 C -ATOM 4224 CB ALA B 254 37.715 -50.126 15.025 1.00 7.73 C -ATOM 4225 C ALA B 254 40.161 -50.530 14.947 1.00 6.30 C -ATOM 4226 O ALA B 254 40.687 -50.460 16.048 1.00 7.15 O -ATOM 4227 N TYR B 255 40.460 -51.475 14.080 1.00 6.05 N -ATOM 4228 CA TYR B 255 41.488 -52.516 14.308 1.00 5.97 C -ATOM 4229 CB TYR B 255 40.997 -53.847 13.702 1.00 6.03 C -ATOM 4230 CG TYR B 255 40.243 -54.660 14.715 1.00 5.97 C -ATOM 4231 CD2 TYR B 255 40.885 -55.646 15.468 1.00 5.97 C -ATOM 4232 CE2 TYR B 255 40.195 -56.328 16.463 1.00 6.90 C -ATOM 4233 CZ TYR B 255 38.859 -56.064 16.700 1.00 6.97 C -ATOM 4234 OH TYR B 255 38.242 -56.759 17.702 1.00 7.41 O -ATOM 4235 CE1 TYR B 255 38.222 -55.114 15.945 1.00 6.33 C -ATOM 4236 CD1 TYR B 255 38.898 -54.424 14.949 1.00 5.89 C -ATOM 4237 C TYR B 255 42.879 -52.136 13.784 1.00 5.93 C -ATOM 4238 O TYR B 255 43.780 -52.951 13.823 1.00 5.71 O -ATOM 4239 N SER B 256 43.012 -50.900 13.285 1.00 5.51 N -ATOM 4240 CA SER B 256 44.270 -50.466 12.627 1.00 5.71 C -ATOM 4241 CB SER B 256 45.366 -50.237 13.617 1.00 5.59 C -ATOM 4242 OG SER B 256 45.023 -49.184 14.498 1.00 6.22 O -ATOM 4243 C SER B 256 44.673 -51.477 11.567 1.00 5.62 C -ATOM 4244 O SER B 256 45.892 -51.744 11.381 1.00 6.69 O -ATOM 4245 N HIS B 257 43.730 -51.951 10.790 1.00 5.64 N -ATOM 4246 CA HIS B 257 43.997 -52.699 9.540 1.00 5.24 C -ATOM 4247 CB HIS B 257 43.055 -53.869 9.347 1.00 5.28 C -ATOM 4248 CG HIS B 257 43.184 -54.958 10.354 1.00 5.14 C -ATOM 4249 ND1 HIS B 257 42.488 -56.176 10.163 1.00 5.12 N -ATOM 4250 CE1 HIS B 257 42.683 -56.931 11.238 1.00 5.60 C -ATOM 4251 NE2 HIS B 257 43.448 -56.315 12.093 1.00 5.21 N -ATOM 4252 CD2 HIS B 257 43.775 -55.062 11.564 1.00 5.70 C -ATOM 4253 C HIS B 257 43.814 -51.746 8.367 1.00 5.05 C -ATOM 4254 O HIS B 257 42.854 -50.944 8.387 1.00 6.00 O -ATOM 4255 N ILE B 258 44.651 -51.844 7.346 1.00 5.25 N -ATOM 4256 CA ILE B 258 44.492 -50.955 6.164 1.00 5.58 C -ATOM 4257 CB ILE B 258 45.804 -50.825 5.367 1.00 5.65 C -ATOM 4258 CG1 ILE B 258 46.975 -50.471 6.285 1.00 5.91 C -ATOM 4259 CG2 ILE B 258 45.624 -49.875 4.209 1.00 5.80 C -ATOM 4260 CD1 ILE B 258 46.836 -49.212 7.059 1.00 6.85 C -ATOM 4261 C ILE B 258 43.323 -51.476 5.330 1.00 5.25 C -ATOM 4262 O ILE B 258 43.433 -52.550 4.731 1.00 5.82 O -ATOM 4263 N GLY B 259 42.266 -50.696 5.272 1.00 5.47 N -ATOM 4264 CA GLY B 259 41.070 -51.076 4.504 1.00 5.68 C -ATOM 4265 C GLY B 259 41.079 -50.514 3.100 1.00 5.94 C -ATOM 4266 O GLY B 259 41.385 -49.313 2.922 1.00 6.83 O -ATOM 4267 N ARG B 260 40.765 -51.322 2.122 1.00 5.81 N -ATOM 4268 CA ARG B 260 40.647 -50.930 0.703 1.00 6.60 C -ATOM 4269 CB ARG B 260 41.637 -51.676 -0.188 1.00 7.49 C -ATOM 4270 CG ARG B 260 41.494 -51.283 -1.660 1.00 8.47 C -ATOM 4271 CD ARG B 260 42.803 -51.602 -2.361 1.00 10.61 C -ATOM 4272 NE ARG B 260 42.849 -51.325 -3.781 1.00 12.69 N -ATOM 4273 CZ ARG B 260 42.259 -52.046 -4.707 1.00 13.55 C -ATOM 4274 NH1 ARG B 260 41.475 -53.056 -4.402 1.00 12.84 N -ATOM 4275 NH2 ARG B 260 42.411 -51.693 -5.977 1.00 15.42 N -ATOM 4276 C ARG B 260 39.220 -51.192 0.253 1.00 6.18 C -ATOM 4277 O ARG B 260 38.673 -52.242 0.556 1.00 6.75 O -ATOM 4278 N VAL B 261 38.602 -50.207 -0.396 1.00 5.91 N -ATOM 4279 CA VAL B 261 37.263 -50.370 -0.990 1.00 6.28 C -ATOM 4280 CB VAL B 261 36.256 -49.383 -0.400 1.00 6.46 C -ATOM 4281 CG1 VAL B 261 34.916 -49.428 -1.117 1.00 7.10 C -ATOM 4282 CG2 VAL B 261 36.046 -49.698 1.060 1.00 7.00 C -ATOM 4283 C VAL B 261 37.370 -50.115 -2.488 1.00 6.63 C -ATOM 4284 O VAL B 261 37.838 -49.088 -2.953 1.00 6.91 O -ATOM 4285 N TRP B 262 36.914 -51.093 -3.247 1.00 7.03 N -ATOM 4286 CA TRP B 262 36.884 -51.023 -4.719 1.00 8.35 C -ATOM 4287 CB TRP B 262 37.696 -52.183 -5.299 1.00 9.10 C -ATOM 4288 CG TRP B 262 37.231 -53.556 -4.934 1.00 11.43 C -ATOM 4289 CD1 TRP B 262 37.591 -54.271 -3.828 1.00 10.90 C -ATOM 4290 NE1 TRP B 262 36.944 -55.467 -3.794 1.00 12.12 N -ATOM 4291 CE2 TRP B 262 36.118 -55.559 -4.877 1.00 13.08 C -ATOM 4292 CD2 TRP B 262 36.287 -54.378 -5.633 1.00 12.28 C -ATOM 4293 CE3 TRP B 262 35.568 -54.218 -6.820 1.00 13.76 C -ATOM 4294 CZ3 TRP B 262 34.744 -55.247 -7.233 1.00 15.54 C -ATOM 4295 CH2 TRP B 262 34.619 -56.421 -6.483 1.00 15.84 C -ATOM 4296 CZ2 TRP B 262 35.292 -56.601 -5.299 1.00 14.50 C -ATOM 4297 C TRP B 262 35.444 -51.021 -5.222 1.00 8.34 C -ATOM 4298 O TRP B 262 34.541 -51.554 -4.561 1.00 9.22 O -ATOM 4299 N GLY B 263 35.264 -50.485 -6.428 1.00 8.03 N -ATOM 4300 CA GLY B 263 33.981 -50.504 -7.161 1.00 9.23 C -ATOM 4301 C GLY B 263 33.024 -49.414 -6.728 1.00 9.48 C -ATOM 4302 O GLY B 263 31.837 -49.473 -7.124 1.00 10.88 O -ATOM 4303 N ASP B 264 33.470 -48.433 -5.946 1.00 8.99 N -ATOM 4304 CA ASP B 264 32.585 -47.372 -5.430 1.00 8.59 C -ATOM 4305 CB ASP B 264 32.669 -47.301 -3.907 1.00 8.78 C -ATOM 4306 CG ASP B 264 31.425 -46.684 -3.277 1.00 9.46 C -ATOM 4307 OD1 ASP B 264 30.335 -46.716 -3.881 1.00 10.41 O -ATOM 4308 OD2 ASP B 264 31.553 -46.132 -2.148 1.00 10.26 O -ATOM 4309 C ASP B 264 32.901 -46.028 -6.078 1.00 8.65 C -ATOM 4310 O ASP B 264 32.931 -45.008 -5.403 1.00 8.87 O -ATOM 4311 N ASP B 265 33.025 -46.017 -7.390 1.00 8.30 N -ATOM 4312 CA ASP B 265 33.617 -44.885 -8.128 1.00 9.56 C -ATOM 4313 CB ASP B 265 33.907 -45.317 -9.561 1.00 11.74 C -ATOM 4314 CG ASP B 265 34.904 -46.472 -9.517 1.00 13.88 C -ATOM 4315 OD1 ASP B 265 36.078 -46.220 -9.094 1.00 28.59 O -ATOM 4316 OD2 ASP B 265 34.498 -47.615 -9.722 1.00 23.20 O -ATOM 4317 C ASP B 265 32.728 -43.649 -8.117 1.00 10.08 C -ATOM 4318 O ASP B 265 33.261 -42.586 -8.392 1.00 11.66 O -ATOM 4319 N GLU B 266 31.440 -43.804 -7.888 1.00 10.42 N -ATOM 4320 CA GLU B 266 30.534 -42.624 -7.941 1.00 11.10 C -ATOM 4321 CB GLU B 266 29.122 -43.078 -8.285 1.00 13.63 C -ATOM 4322 CG GLU B 266 29.046 -43.831 -9.590 1.00 16.93 C -ATOM 4323 CD GLU B 266 29.796 -43.146 -10.712 1.00 20.23 C -ATOM 4324 OE1 GLU B 266 29.542 -41.947 -10.917 1.00 29.23 O -ATOM 4325 OE2 GLU B 266 30.639 -43.810 -11.379 1.00 28.40 O -ATOM 4326 C GLU B 266 30.521 -41.855 -6.632 1.00 11.40 C -ATOM 4327 O GLU B 266 29.887 -40.775 -6.563 1.00 12.29 O -ATOM 4328 N VAL B 267 31.161 -42.359 -5.590 1.00 9.66 N -ATOM 4329 CA VAL B 267 31.225 -41.708 -4.265 1.00 9.16 C -ATOM 4330 CB VAL B 267 31.016 -42.791 -3.185 1.00 9.30 C -ATOM 4331 CG1 VAL B 267 31.346 -42.295 -1.776 1.00 10.29 C -ATOM 4332 CG2 VAL B 267 29.598 -43.324 -3.255 1.00 10.14 C -ATOM 4333 C VAL B 267 32.560 -40.961 -4.200 1.00 8.62 C -ATOM 4334 O VAL B 267 33.606 -41.505 -4.586 1.00 10.27 O -ATOM 4335 N SER B 268 32.515 -39.727 -3.737 1.00 8.46 N -ATOM 4336 CA SER B 268 33.682 -38.816 -3.708 1.00 8.30 C -ATOM 4337 CB SER B 268 33.254 -37.416 -3.344 1.00 9.06 C -ATOM 4338 OG SER B 268 32.894 -37.323 -1.974 1.00 9.20 O -ATOM 4339 C SER B 268 34.734 -39.290 -2.693 1.00 7.99 C -ATOM 4340 O SER B 268 34.442 -40.019 -1.717 1.00 8.56 O -ATOM 4341 N PHE B 269 35.945 -38.821 -2.895 1.00 7.60 N -ATOM 4342 CA PHE B 269 37.047 -39.116 -1.954 1.00 7.86 C -ATOM 4343 CB PHE B 269 38.362 -38.618 -2.526 1.00 7.60 C -ATOM 4344 CG PHE B 269 39.570 -38.816 -1.652 1.00 7.50 C -ATOM 4345 CD1 PHE B 269 39.792 -39.987 -0.945 1.00 7.79 C -ATOM 4346 CE1 PHE B 269 40.922 -40.136 -0.149 1.00 7.62 C -ATOM 4347 CZ PHE B 269 41.867 -39.137 -0.081 1.00 8.22 C -ATOM 4348 CD2 PHE B 269 40.515 -37.802 -1.520 1.00 8.11 C -ATOM 4349 CE2 PHE B 269 41.664 -37.964 -0.769 1.00 8.24 C -ATOM 4350 C PHE B 269 36.688 -38.579 -0.566 1.00 7.67 C -ATOM 4351 O PHE B 269 36.889 -39.242 0.437 1.00 7.95 O -ATOM 4352 N ALA B 270 36.122 -37.354 -0.516 1.00 7.71 N -ATOM 4353 CA ALA B 270 35.752 -36.740 0.774 1.00 7.63 C -ATOM 4354 CB ALA B 270 35.198 -35.352 0.536 1.00 8.81 C -ATOM 4355 C ALA B 270 34.763 -37.627 1.545 1.00 8.30 C -ATOM 4356 O ALA B 270 34.904 -37.803 2.744 1.00 8.51 O -ATOM 4357 N GLN B 271 33.816 -38.256 0.860 1.00 8.42 N -ATOM 4358 CA GLN B 271 32.857 -39.172 1.504 1.00 8.58 C -ATOM 4359 CB GLN B 271 31.741 -39.610 0.549 1.00 10.28 C -ATOM 4360 CG GLN B 271 30.578 -38.671 0.308 1.00 13.62 C -ATOM 4361 CD GLN B 271 29.780 -39.142 -0.893 1.00 14.90 C -ATOM 4362 OE1 GLN B 271 30.112 -38.852 -2.042 1.00 14.47 O -ATOM 4363 NE2 GLN B 271 28.721 -39.894 -0.649 1.00 14.89 N -ATOM 4364 C GLN B 271 33.607 -40.419 1.973 1.00 7.78 C -ATOM 4365 O GLN B 271 33.349 -40.880 3.117 1.00 8.38 O -ATOM 4366 N HIS B 272 34.486 -40.961 1.155 1.00 7.47 N -ATOM 4367 CA HIS B 272 35.255 -42.150 1.573 1.00 7.18 C -ATOM 4368 CB HIS B 272 36.071 -42.687 0.424 1.00 7.60 C -ATOM 4369 CG HIS B 272 35.227 -43.390 -0.597 1.00 7.77 C -ATOM 4370 ND1 HIS B 272 35.403 -43.253 -1.981 1.00 8.50 N -ATOM 4371 CE1 HIS B 272 34.536 -44.025 -2.605 1.00 8.72 C -ATOM 4372 NE2 HIS B 272 33.761 -44.620 -1.680 1.00 9.50 N -ATOM 4373 CD2 HIS B 272 34.147 -44.171 -0.449 1.00 8.10 C -ATOM 4374 C HIS B 272 36.127 -41.849 2.785 1.00 7.32 C -ATOM 4375 O HIS B 272 36.228 -42.722 3.688 1.00 7.86 O -ATOM 4376 N ILE B 273 36.689 -40.653 2.863 1.00 6.99 N -ATOM 4377 CA ILE B 273 37.449 -40.224 4.069 1.00 8.19 C -ATOM 4378 CB ILE B 273 38.022 -38.822 3.873 1.00 8.09 C -ATOM 4379 CG1 ILE B 273 39.130 -38.836 2.812 1.00 9.52 C -ATOM 4380 CG2 ILE B 273 38.495 -38.269 5.230 1.00 9.07 C -ATOM 4381 CD1 ILE B 273 39.569 -37.476 2.382 1.00 9.95 C -ATOM 4382 C ILE B 273 36.517 -40.290 5.275 1.00 7.77 C -ATOM 4383 O ILE B 273 36.911 -40.822 6.341 1.00 8.36 O -ATOM 4384 N ASN B 274 35.324 -39.711 5.148 1.00 8.49 N -ATOM 4385 CA ASN B 274 34.355 -39.754 6.269 1.00 9.77 C -ATOM 4386 CB ASN B 274 33.075 -39.001 5.915 1.00 12.21 C -ATOM 4387 CG ASN B 274 33.277 -37.510 5.904 1.00 14.90 C -ATOM 4388 OD1 ASN B 274 34.214 -36.997 6.513 1.00 20.09 O -ATOM 4389 ND2 ASN B 274 32.396 -36.811 5.204 1.00 17.59 N -ATOM 4390 C ASN B 274 34.023 -41.182 6.700 1.00 9.42 C -ATOM 4391 O ASN B 274 33.777 -41.380 7.906 1.00 11.22 O -ATOM 4392 N GLN B 275 34.015 -42.126 5.764 1.00 9.02 N -ATOM 4393 CA GLN B 275 33.665 -43.541 6.016 1.00 10.04 C -ATOM 4394 CB GLN B 275 33.032 -44.141 4.751 1.00 10.92 C -ATOM 4395 CG GLN B 275 31.697 -43.519 4.350 1.00 13.61 C -ATOM 4396 CD GLN B 275 31.085 -43.868 3.007 1.00 15.17 C -ATOM 4397 OE1 GLN B 275 31.715 -44.164 1.962 1.00 14.30 O -ATOM 4398 NE2 GLN B 275 29.774 -43.717 2.981 1.00 18.77 N -ATOM 4399 C GLN B 275 34.916 -44.329 6.458 1.00 8.39 C -ATOM 4400 O GLN B 275 34.827 -45.565 6.566 1.00 8.59 O -ATOM 4401 N LYS B 276 36.025 -43.663 6.751 1.00 7.81 N -ATOM 4402 CA LYS B 276 37.205 -44.318 7.376 1.00 7.57 C -ATOM 4403 CB LYS B 276 36.857 -44.886 8.748 1.00 8.80 C -ATOM 4404 CG LYS B 276 36.191 -43.935 9.714 1.00 11.41 C -ATOM 4405 CD LYS B 276 36.955 -42.677 10.003 1.00 13.67 C -ATOM 4406 CE LYS B 276 36.154 -41.842 10.972 1.00 15.16 C -ATOM 4407 NZ LYS B 276 36.759 -40.527 11.125 1.00 16.00 N -ATOM 4408 C LYS B 276 37.803 -45.379 6.459 1.00 7.07 C -ATOM 4409 O LYS B 276 38.353 -46.380 6.986 1.00 6.76 O -ATOM 4410 N ILE B 277 37.863 -45.105 5.182 1.00 6.80 N -ATOM 4411 CA ILE B 277 38.484 -46.007 4.185 1.00 6.83 C -ATOM 4412 CB ILE B 277 37.643 -45.979 2.911 1.00 7.21 C -ATOM 4413 CG1 ILE B 277 36.233 -46.523 3.205 1.00 7.09 C -ATOM 4414 CG2 ILE B 277 38.343 -46.736 1.810 1.00 7.11 C -ATOM 4415 CD1 ILE B 277 35.165 -46.217 2.127 1.00 7.55 C -ATOM 4416 C ILE B 277 39.913 -45.552 3.898 1.00 6.30 C -ATOM 4417 O ILE B 277 40.150 -44.402 3.463 1.00 6.69 O -ATOM 4418 N ASN B 278 40.882 -46.416 4.148 1.00 5.94 N -ATOM 4419 CA ASN B 278 42.283 -46.019 3.878 1.00 6.20 C -ATOM 4420 CB ASN B 278 43.286 -46.975 4.487 1.00 6.55 C -ATOM 4421 CG ASN B 278 43.348 -46.923 5.986 1.00 6.36 C -ATOM 4422 OD1 ASN B 278 43.858 -45.956 6.576 1.00 7.65 O -ATOM 4423 ND2 ASN B 278 42.816 -47.932 6.632 1.00 4.78 N -ATOM 4424 C ASN B 278 42.538 -45.908 2.386 1.00 6.38 C -ATOM 4425 O ASN B 278 43.253 -44.948 1.999 1.00 7.03 O -ATOM 4426 N LEU B 279 42.130 -46.901 1.603 1.00 5.86 N -ATOM 4427 CA LEU B 279 42.480 -46.919 0.172 1.00 6.31 C -ATOM 4428 CB LEU B 279 43.419 -48.080 -0.150 1.00 6.70 C -ATOM 4429 CG LEU B 279 44.639 -48.287 0.749 1.00 7.08 C -ATOM 4430 CD1 LEU B 279 45.350 -49.589 0.430 1.00 7.51 C -ATOM 4431 CD2 LEU B 279 45.603 -47.084 0.678 1.00 7.79 C -ATOM 4432 C LEU B 279 41.199 -47.015 -0.646 1.00 6.60 C -ATOM 4433 O LEU B 279 40.532 -48.051 -0.607 1.00 6.62 O -ATOM 4434 N SER B 280 40.834 -45.919 -1.314 1.00 6.95 N -ATOM 4435 CA SER B 280 39.615 -45.859 -2.156 1.00 7.16 C -ATOM 4436 CB SER B 280 38.902 -44.552 -1.985 1.00 7.76 C -ATOM 4437 OG SER B 280 38.358 -44.422 -0.673 1.00 9.21 O -ATOM 4438 C SER B 280 40.019 -46.064 -3.613 1.00 6.91 C -ATOM 4439 O SER B 280 40.649 -45.159 -4.179 1.00 7.89 O -ATOM 4440 N ALA B 281 39.724 -47.218 -4.184 1.00 6.92 N -ATOM 4441 CA ALA B 281 40.210 -47.571 -5.526 1.00 7.45 C -ATOM 4442 CB ALA B 281 40.243 -49.072 -5.661 1.00 8.29 C -ATOM 4443 C ALA B 281 39.275 -46.976 -6.564 1.00 7.28 C -ATOM 4444 O ALA B 281 38.074 -47.263 -6.544 1.00 8.68 O -ATOM 4445 N TYR B 282 39.814 -46.196 -7.491 1.00 6.88 N -ATOM 4446 CA TYR B 282 39.045 -45.587 -8.602 1.00 7.50 C -ATOM 4447 CB TYR B 282 38.988 -44.065 -8.477 1.00 7.92 C -ATOM 4448 CG TYR B 282 38.256 -43.529 -7.285 1.00 8.22 C -ATOM 4449 CD2 TYR B 282 36.923 -43.147 -7.437 1.00 8.20 C -ATOM 4450 CE2 TYR B 282 36.221 -42.560 -6.408 1.00 8.19 C -ATOM 4451 CZ TYR B 282 36.855 -42.365 -5.193 1.00 7.44 C -ATOM 4452 OH TYR B 282 36.244 -41.724 -4.134 1.00 9.54 O -ATOM 4453 CE1 TYR B 282 38.202 -42.707 -5.058 1.00 7.65 C -ATOM 4454 CD1 TYR B 282 38.891 -43.296 -6.088 1.00 7.77 C -ATOM 4455 C TYR B 282 39.719 -45.891 -9.922 1.00 8.02 C -ATOM 4456 O TYR B 282 40.902 -45.740 -10.090 1.00 9.18 O -ATOM 4457 N TYR B 283 38.927 -46.263 -10.915 1.00 8.23 N -ATOM 4458 CA TYR B 283 39.427 -46.386 -12.294 1.00 8.84 C -ATOM 4459 CB TYR B 283 38.256 -46.792 -13.179 1.00 9.18 C -ATOM 4460 CG TYR B 283 37.758 -48.184 -12.950 1.00 9.80 C -ATOM 4461 CD1 TYR B 283 38.578 -49.272 -13.168 1.00 10.78 C -ATOM 4462 CE1 TYR B 283 38.118 -50.563 -12.990 1.00 10.57 C -ATOM 4463 CZ TYR B 283 36.797 -50.774 -12.652 1.00 10.99 C -ATOM 4464 OH TYR B 283 36.303 -52.030 -12.499 1.00 13.34 O -ATOM 4465 CE2 TYR B 283 35.964 -49.696 -12.389 1.00 11.59 C -ATOM 4466 CD2 TYR B 283 36.444 -48.419 -12.596 1.00 11.06 C -ATOM 4467 C TYR B 283 39.983 -45.037 -12.742 1.00 9.15 C -ATOM 4468 O TYR B 283 41.100 -44.934 -13.243 1.00 9.62 O -ATOM 4469 N ARG B 284 39.239 -43.979 -12.466 1.00 9.71 N -ATOM 4470 CA ARG B 284 39.591 -42.595 -12.845 1.00 10.93 C -ATOM 4471 CB ARG B 284 38.377 -41.868 -13.416 1.00 12.39 C -ATOM 4472 CG ARG B 284 37.877 -42.490 -14.700 1.00 14.82 C -ATOM 4473 CD ARG B 284 36.666 -41.747 -15.228 1.00 18.67 C -ATOM 4474 NE ARG B 284 36.999 -40.363 -15.553 1.00 23.10 N -ATOM 4475 CZ ARG B 284 37.524 -39.942 -16.701 1.00 28.56 C -ATOM 4476 NH1 ARG B 284 37.801 -40.806 -17.667 1.00 30.34 N -ATOM 4477 NH2 ARG B 284 37.760 -38.650 -16.884 1.00 30.24 N -ATOM 4478 C ARG B 284 40.202 -41.878 -11.648 1.00 10.35 C -ATOM 4479 O ARG B 284 39.611 -40.946 -11.080 1.00 9.86 O -ATOM 4480 N PHE B 285 41.402 -42.296 -11.262 1.00 10.25 N -ATOM 4481 CA PHE B 285 42.001 -41.850 -9.982 1.00 9.47 C -ATOM 4482 CB PHE B 285 43.205 -42.720 -9.598 1.00 9.23 C -ATOM 4483 CG PHE B 285 44.190 -42.899 -10.724 1.00 9.89 C -ATOM 4484 CD1 PHE B 285 45.192 -41.979 -10.993 1.00 10.48 C -ATOM 4485 CE1 PHE B 285 46.020 -42.140 -12.095 1.00 10.85 C -ATOM 4486 CZ PHE B 285 45.874 -43.219 -12.918 1.00 10.53 C -ATOM 4487 CD2 PHE B 285 44.048 -43.969 -11.572 1.00 10.07 C -ATOM 4488 CE2 PHE B 285 44.904 -44.143 -12.658 1.00 10.12 C -ATOM 4489 C PHE B 285 42.352 -40.363 -10.035 1.00 8.60 C -ATOM 4490 O PHE B 285 42.236 -39.706 -9.014 1.00 8.80 O -ATOM 4491 N ALA B 286 42.888 -39.908 -11.179 1.00 10.63 N -ATOM 4492 CA ALA B 286 43.392 -38.528 -11.266 1.00 10.56 C -ATOM 4493 CB ALA B 286 44.115 -38.273 -12.572 1.00 10.70 C -ATOM 4494 C ALA B 286 42.241 -37.539 -11.045 1.00 10.60 C -ATOM 4495 O ALA B 286 42.453 -36.437 -10.543 1.00 12.00 O -ATOM 4496 N ALA B 287 41.021 -37.921 -11.418 1.00 11.37 N -ATOM 4497 CA ALA B 287 39.823 -37.063 -11.345 1.00 12.27 C -ATOM 4498 CB ALA B 287 38.742 -37.645 -12.220 1.00 13.25 C -ATOM 4499 C ALA B 287 39.359 -36.902 -9.896 1.00 12.02 C -ATOM 4500 O ALA B 287 38.436 -36.130 -9.670 1.00 13.11 O -ATOM 4501 N GLN B 288 39.870 -37.663 -8.918 1.00 10.81 N -ATOM 4502 CA GLN B 288 39.379 -37.593 -7.524 1.00 10.19 C -ATOM 4503 CB GLN B 288 39.322 -38.999 -6.903 1.00 10.08 C -ATOM 4504 CG GLN B 288 38.763 -40.070 -7.838 1.00 11.48 C -ATOM 4505 CD GLN B 288 37.391 -39.759 -8.373 1.00 12.27 C -ATOM 4506 OE1 GLN B 288 36.545 -39.220 -7.672 1.00 11.83 O -ATOM 4507 NE2 GLN B 288 37.126 -40.184 -9.589 1.00 14.06 N -ATOM 4508 C GLN B 288 40.328 -36.729 -6.719 1.00 9.92 C -ATOM 4509 O GLN B 288 41.538 -36.739 -6.998 1.00 10.48 O -ATOM 4510 N SER B 289 39.776 -36.045 -5.740 1.00 10.61 N -ATOM 4511 CA SER B 289 40.529 -35.208 -4.804 1.00 11.32 C -ATOM 4512 CB SER B 289 41.187 -34.057 -5.514 1.00 12.06 C -ATOM 4513 OG SER B 289 40.228 -33.181 -6.118 1.00 15.39 O -ATOM 4514 C SER B 289 39.523 -34.729 -3.767 1.00 10.97 C -ATOM 4515 O SER B 289 38.273 -34.763 -4.015 1.00 12.22 O -ATOM 4516 N ALA B 290 40.042 -34.340 -2.633 1.00 10.39 N -ATOM 4517 CA ALA B 290 39.296 -33.684 -1.542 1.00 11.15 C -ATOM 4518 CB ALA B 290 39.033 -34.640 -0.393 1.00 11.37 C -ATOM 4519 C ALA B 290 40.140 -32.523 -1.031 1.00 11.69 C -ATOM 4520 O ALA B 290 41.295 -32.751 -0.660 1.00 11.91 O -ATOM 4521 N GLY B 291 39.613 -31.282 -1.049 1.00 12.48 N -ATOM 4522 CA GLY B 291 40.399 -30.093 -0.684 1.00 14.18 C -ATOM 4523 C GLY B 291 41.667 -29.977 -1.515 1.00 15.29 C -ATOM 4524 O GLY B 291 42.669 -29.457 -1.006 1.00 17.52 O -ATOM 4525 N GLY B 292 41.649 -30.477 -2.738 1.00 13.52 N -ATOM 4526 CA GLY B 292 42.809 -30.415 -3.652 1.00 13.59 C -ATOM 4527 C GLY B 292 43.813 -31.550 -3.451 1.00 12.64 C -ATOM 4528 O GLY B 292 44.829 -31.592 -4.152 1.00 13.56 O -ATOM 4529 N TYR B 293 43.547 -32.497 -2.568 1.00 11.29 N -ATOM 4530 CA TYR B 293 44.502 -33.586 -2.229 1.00 10.23 C -ATOM 4531 CB TYR B 293 44.749 -33.588 -0.744 1.00 11.08 C -ATOM 4532 CG TYR B 293 45.316 -32.283 -0.249 1.00 12.38 C -ATOM 4533 CD1 TYR B 293 46.549 -31.851 -0.710 1.00 12.89 C -ATOM 4534 CE1 TYR B 293 47.113 -30.668 -0.282 1.00 14.02 C -ATOM 4535 CZ TYR B 293 46.448 -29.942 0.674 1.00 13.59 C -ATOM 4536 OH TYR B 293 47.040 -28.809 1.124 1.00 15.35 O -ATOM 4537 CE2 TYR B 293 45.233 -30.350 1.177 1.00 14.90 C -ATOM 4538 CD2 TYR B 293 44.681 -31.540 0.723 1.00 13.84 C -ATOM 4539 C TYR B 293 43.979 -34.965 -2.580 1.00 9.87 C -ATOM 4540 O TYR B 293 42.758 -35.214 -2.522 1.00 9.82 O -ATOM 4541 N ARG B 294 44.913 -35.873 -2.866 1.00 8.85 N -ATOM 4542 CA ARG B 294 44.567 -37.305 -3.034 1.00 7.91 C -ATOM 4543 CB ARG B 294 45.125 -37.807 -4.351 1.00 7.66 C -ATOM 4544 CG ARG B 294 44.552 -37.082 -5.556 1.00 8.86 C -ATOM 4545 CD ARG B 294 44.598 -37.922 -6.822 1.00 9.33 C -ATOM 4546 NE ARG B 294 44.373 -37.094 -8.006 1.00 9.24 N -ATOM 4547 CZ ARG B 294 45.310 -36.305 -8.543 1.00 10.82 C -ATOM 4548 NH1 ARG B 294 46.551 -36.320 -8.081 1.00 10.84 N -ATOM 4549 NH2 ARG B 294 44.984 -35.500 -9.541 1.00 12.65 N -ATOM 4550 C ARG B 294 45.055 -38.140 -1.852 1.00 7.49 C -ATOM 4551 O ARG B 294 44.790 -39.366 -1.857 1.00 8.00 O -ATOM 4552 N ILE B 295 45.769 -37.562 -0.914 1.00 7.42 N -ATOM 4553 CA ILE B 295 46.212 -38.229 0.322 1.00 7.84 C -ATOM 4554 CB ILE B 295 47.695 -38.633 0.226 1.00 7.77 C -ATOM 4555 CG1 ILE B 295 47.905 -39.657 -0.893 1.00 8.02 C -ATOM 4556 CG2 ILE B 295 48.141 -39.207 1.545 1.00 8.53 C -ATOM 4557 CD1 ILE B 295 49.297 -40.237 -0.990 1.00 8.23 C -ATOM 4558 C ILE B 295 45.953 -37.244 1.449 1.00 8.16 C -ATOM 4559 O ILE B 295 46.478 -36.101 1.380 1.00 9.19 O -ATOM 4560 N ARG B 296 45.237 -37.673 2.478 1.00 8.75 N -ATOM 4561 CA ARG B 296 44.869 -36.777 3.596 1.00 9.71 C -ATOM 4562 CB ARG B 296 43.473 -36.151 3.328 1.00 10.87 C -ATOM 4563 CG ARG B 296 43.325 -35.328 2.054 1.00 11.58 C -ATOM 4564 CD ARG B 296 42.229 -34.278 2.233 1.00 12.78 C -ATOM 4565 NE ARG B 296 42.611 -33.225 3.172 1.00 15.92 N -ATOM 4566 CZ ARG B 296 42.157 -31.969 3.106 1.00 18.39 C -ATOM 4567 NH1 ARG B 296 41.382 -31.561 2.091 1.00 25.90 N -ATOM 4568 NH2 ARG B 296 42.525 -31.102 4.034 1.00 22.40 N -ATOM 4569 C ARG B 296 44.780 -37.616 4.867 1.00 9.09 C -ATOM 4570 O ARG B 296 44.260 -38.725 4.781 1.00 9.29 O -ATOM 4571 N PRO B 297 45.096 -37.097 6.062 1.00 9.57 N -ATOM 4572 CA PRO B 297 44.664 -37.758 7.282 1.00 9.46 C -ATOM 4573 CB PRO B 297 45.215 -36.899 8.435 1.00 10.79 C -ATOM 4574 CG PRO B 297 46.247 -36.031 7.818 1.00 12.70 C -ATOM 4575 CD PRO B 297 45.857 -35.890 6.352 1.00 11.35 C -ATOM 4576 C PRO B 297 43.136 -37.782 7.334 1.00 8.92 C -ATOM 4577 O PRO B 297 42.470 -36.874 6.826 1.00 10.15 O -ATOM 4578 N PHE B 298 42.559 -38.750 8.027 1.00 8.53 N -ATOM 4579 CA PHE B 298 41.106 -38.796 8.292 1.00 9.83 C -ATOM 4580 CB PHE B 298 40.742 -40.037 9.100 1.00 9.73 C -ATOM 4581 CG PHE B 298 40.837 -41.321 8.344 1.00 8.61 C -ATOM 4582 CD1 PHE B 298 40.132 -41.533 7.173 1.00 8.26 C -ATOM 4583 CE1 PHE B 298 40.260 -42.727 6.501 1.00 8.69 C -ATOM 4584 CZ PHE B 298 41.098 -43.702 6.961 1.00 8.55 C -ATOM 4585 CD2 PHE B 298 41.713 -42.301 8.777 1.00 9.13 C -ATOM 4586 CE2 PHE B 298 41.868 -43.479 8.070 1.00 9.11 C -ATOM 4587 C PHE B 298 40.696 -37.531 9.035 1.00 13.75 C -ATOM 4588 O PHE B 298 41.469 -37.021 9.768 1.00 14.72 O -TER 4589 PHE B 298 -ATOM 4590 N ALA C 1 77.742 -32.348 1.734 1.00 37.20 N -ATOM 4591 CA ALA C 1 78.653 -33.328 1.051 1.00 35.92 C -ATOM 4592 CB ALA C 1 78.973 -34.477 1.978 1.00 33.11 C -ATOM 4593 C ALA C 1 78.020 -33.813 -0.257 1.00 36.50 C -ATOM 4594 O ALA C 1 78.431 -34.897 -0.731 1.00 39.67 O -ATOM 4595 N GLN C 2 77.095 -33.028 -0.834 1.00 34.00 N -ATOM 4596 CA GLN C 2 76.111 -33.505 -1.843 1.00 29.44 C -ATOM 4597 CB GLN C 2 74.992 -32.497 -2.113 1.00 30.46 C -ATOM 4598 C GLN C 2 76.875 -33.925 -3.103 1.00 23.64 C -ATOM 4599 O GLN C 2 76.971 -35.130 -3.291 1.00 20.89 O -ATOM 4600 N GLU C 3 77.457 -33.013 -3.898 1.00 18.72 N -ATOM 4601 CA GLU C 3 78.133 -33.423 -5.163 1.00 16.57 C -ATOM 4602 CB GLU C 3 78.514 -32.228 -6.043 1.00 14.36 C -ATOM 4603 CG GLU C 3 79.701 -31.436 -5.568 1.00 13.06 C -ATOM 4604 CD GLU C 3 80.252 -30.454 -6.583 1.00 11.50 C -ATOM 4605 OE1 GLU C 3 79.975 -30.643 -7.789 1.00 13.70 O -ATOM 4606 OE2 GLU C 3 80.919 -29.528 -6.169 1.00 12.30 O -ATOM 4607 C GLU C 3 79.368 -34.288 -4.874 1.00 15.69 C -ATOM 4608 O GLU C 3 79.925 -34.240 -3.754 1.00 15.29 O -ATOM 4609 N SER C 4 79.814 -35.031 -5.883 1.00 15.14 N -ATOM 4610 CA SER C 4 80.968 -35.945 -5.775 1.00 17.28 C -ATOM 4611 CB SER C 4 80.525 -37.302 -5.219 1.00 18.41 C -ATOM 4612 OG SER C 4 79.479 -37.858 -6.013 1.00 21.92 O -ATOM 4613 C SER C 4 81.660 -36.052 -7.130 1.00 17.32 C -ATOM 4614 O SER C 4 81.892 -37.150 -7.636 1.00 18.81 O -ATOM 4615 N PRO C 5 82.106 -34.931 -7.741 1.00 15.59 N -ATOM 4616 CA PRO C 5 82.892 -35.017 -8.962 1.00 14.57 C -ATOM 4617 CB PRO C 5 83.013 -33.562 -9.419 1.00 14.42 C -ATOM 4618 CG PRO C 5 82.993 -32.811 -8.106 1.00 14.88 C -ATOM 4619 CD PRO C 5 81.960 -33.541 -7.267 1.00 15.05 C -ATOM 4620 C PRO C 5 84.243 -35.585 -8.545 1.00 13.70 C -ATOM 4621 O PRO C 5 84.664 -35.433 -7.400 1.00 15.15 O -ATOM 4622 N ALA C 6 84.901 -36.277 -9.454 1.00 14.07 N -ATOM 4623 CA ALA C 6 86.147 -36.987 -9.126 1.00 13.62 C -ATOM 4624 CB ALA C 6 86.675 -37.715 -10.365 1.00 13.59 C -ATOM 4625 C ALA C 6 87.194 -36.065 -8.477 1.00 13.13 C -ATOM 4626 O ALA C 6 87.995 -36.501 -7.654 1.00 12.54 O -ATOM 4627 N PHE C 7 87.263 -34.786 -8.826 1.00 11.10 N -ATOM 4628 CA PHE C 7 88.419 -33.932 -8.401 1.00 11.76 C -ATOM 4629 CB PHE C 7 88.633 -32.762 -9.359 1.00 11.37 C -ATOM 4630 CG PHE C 7 87.592 -31.678 -9.314 1.00 10.67 C -ATOM 4631 CD1 PHE C 7 87.649 -30.692 -8.331 1.00 9.60 C -ATOM 4632 CE1 PHE C 7 86.692 -29.698 -8.274 1.00 9.83 C -ATOM 4633 CZ PHE C 7 85.701 -29.646 -9.213 1.00 9.40 C -ATOM 4634 CD2 PHE C 7 86.549 -31.654 -10.211 1.00 11.78 C -ATOM 4635 CE2 PHE C 7 85.603 -30.649 -10.175 1.00 10.36 C -ATOM 4636 C PHE C 7 88.371 -33.459 -6.924 1.00 11.45 C -ATOM 4637 O PHE C 7 89.366 -32.863 -6.440 1.00 11.75 O -ATOM 4638 N ILE C 8 87.293 -33.724 -6.174 1.00 11.46 N -ATOM 4639 CA ILE C 8 87.176 -33.239 -4.768 1.00 10.96 C -ATOM 4640 CB ILE C 8 85.777 -32.668 -4.518 1.00 10.32 C -ATOM 4641 CG1 ILE C 8 85.538 -31.502 -5.474 1.00 10.61 C -ATOM 4642 CG2 ILE C 8 85.596 -32.277 -3.058 1.00 11.14 C -ATOM 4643 CD1 ILE C 8 84.235 -30.775 -5.256 1.00 11.64 C -ATOM 4644 C ILE C 8 87.514 -34.383 -3.821 1.00 11.71 C -ATOM 4645 O ILE C 8 86.784 -35.404 -3.797 1.00 12.95 O -ATOM 4646 N ASP C 9 88.508 -34.226 -3.004 1.00 10.65 N -ATOM 4647 CA ASP C 9 88.749 -35.202 -1.919 1.00 10.69 C -ATOM 4648 CB ASP C 9 90.011 -34.801 -1.186 1.00 11.43 C -ATOM 4649 CG ASP C 9 90.416 -35.761 -0.104 1.00 12.87 C -ATOM 4650 OD1 ASP C 9 89.543 -36.530 0.373 1.00 11.66 O -ATOM 4651 OD2 ASP C 9 91.584 -35.698 0.281 1.00 14.34 O -ATOM 4652 C ASP C 9 87.523 -35.218 -1.020 1.00 11.07 C -ATOM 4653 O ASP C 9 87.180 -34.192 -0.412 1.00 11.18 O -ATOM 4654 N PRO C 10 86.895 -36.388 -0.780 1.00 12.49 N -ATOM 4655 CA PRO C 10 85.720 -36.415 0.089 1.00 11.73 C -ATOM 4656 CB PRO C 10 85.295 -37.898 0.081 1.00 13.12 C -ATOM 4657 CG PRO C 10 85.826 -38.431 -1.199 1.00 13.33 C -ATOM 4658 CD PRO C 10 87.095 -37.665 -1.499 1.00 12.30 C -ATOM 4659 C PRO C 10 85.963 -35.963 1.538 1.00 11.40 C -ATOM 4660 O PRO C 10 85.019 -35.479 2.162 1.00 11.70 O -ATOM 4661 N ALA C 11 87.207 -36.002 2.014 1.00 10.67 N -ATOM 4662 CA ALA C 11 87.550 -35.502 3.365 1.00 10.31 C -ATOM 4663 CB ALA C 11 88.970 -35.834 3.749 1.00 10.36 C -ATOM 4664 C ALA C 11 87.335 -33.983 3.449 1.00 10.76 C -ATOM 4665 O ALA C 11 87.289 -33.431 4.547 1.00 10.60 O -ATOM 4666 N SER C 12 87.243 -33.300 2.300 1.00 10.19 N -ATOM 4667 CA SER C 12 87.076 -31.823 2.264 1.00 9.21 C -ATOM 4668 CB SER C 12 87.105 -31.277 0.851 1.00 9.31 C -ATOM 4669 OG SER C 12 88.282 -31.657 0.190 1.00 9.99 O -ATOM 4670 C SER C 12 85.763 -31.415 2.926 1.00 9.19 C -ATOM 4671 O SER C 12 85.671 -30.340 3.494 1.00 9.12 O -ATOM 4672 N TRP C 13 84.739 -32.240 2.852 1.00 10.12 N -ATOM 4673 CA TRP C 13 83.367 -31.794 3.164 1.00 9.96 C -ATOM 4674 CB TRP C 13 82.412 -32.906 2.731 1.00 11.12 C -ATOM 4675 CG TRP C 13 82.278 -32.952 1.234 1.00 11.33 C -ATOM 4676 CD1 TRP C 13 82.749 -33.913 0.386 1.00 11.88 C -ATOM 4677 NE1 TRP C 13 82.405 -33.633 -0.907 1.00 13.06 N -ATOM 4678 CE2 TRP C 13 81.755 -32.431 -0.940 1.00 11.12 C -ATOM 4679 CD2 TRP C 13 81.625 -31.990 0.392 1.00 11.20 C -ATOM 4680 CE3 TRP C 13 80.953 -30.799 0.659 1.00 11.56 C -ATOM 4681 CZ3 TRP C 13 80.405 -30.082 -0.377 1.00 11.67 C -ATOM 4682 CH2 TRP C 13 80.509 -30.559 -1.681 1.00 11.85 C -ATOM 4683 CZ2 TRP C 13 81.178 -31.729 -1.993 1.00 12.45 C -ATOM 4684 C TRP C 13 83.217 -31.399 4.624 1.00 9.63 C -ATOM 4685 O TRP C 13 82.617 -30.381 4.890 1.00 9.86 O -ATOM 4686 N ASN C 14 83.852 -32.126 5.527 1.00 10.09 N -ATOM 4687 CA ASN C 14 83.753 -31.859 6.980 1.00 10.19 C -ATOM 4688 CB ASN C 14 83.548 -33.176 7.739 1.00 11.71 C -ATOM 4689 CG ASN C 14 82.150 -33.727 7.547 1.00 15.55 C -ATOM 4690 OD1 ASN C 14 81.966 -34.953 7.511 1.00 19.82 O -ATOM 4691 ND2 ASN C 14 81.156 -32.863 7.428 1.00 16.61 N -ATOM 4692 C ASN C 14 84.976 -31.046 7.445 1.00 10.03 C -ATOM 4693 O ASN C 14 85.183 -30.931 8.662 1.00 11.74 O -ATOM 4694 N THR C 15 85.689 -30.401 6.512 1.00 9.07 N -ATOM 4695 CA THR C 15 86.821 -29.531 6.855 1.00 8.87 C -ATOM 4696 CB THR C 15 87.936 -29.766 5.850 1.00 8.44 C -ATOM 4697 OG1 THR C 15 88.267 -31.165 5.815 1.00 9.94 O -ATOM 4698 CG2 THR C 15 89.171 -28.978 6.185 1.00 8.69 C -ATOM 4699 C THR C 15 86.353 -28.085 6.803 1.00 8.71 C -ATOM 4700 O THR C 15 85.662 -27.689 5.879 1.00 7.81 O -ATOM 4701 N PRO C 16 86.704 -27.253 7.792 1.00 8.97 N -ATOM 4702 CA PRO C 16 86.465 -25.819 7.693 1.00 8.53 C -ATOM 4703 CB PRO C 16 87.293 -25.260 8.859 1.00 8.92 C -ATOM 4704 CG PRO C 16 87.232 -26.352 9.894 1.00 9.45 C -ATOM 4705 CD PRO C 16 87.422 -27.594 9.026 1.00 9.29 C -ATOM 4706 C PRO C 16 87.009 -25.266 6.363 1.00 7.36 C -ATOM 4707 O PRO C 16 88.072 -25.679 5.925 1.00 7.55 O -ATOM 4708 N PHE C 17 86.349 -24.240 5.825 1.00 7.16 N -ATOM 4709 CA PHE C 17 86.740 -23.752 4.488 1.00 6.92 C -ATOM 4710 CB PHE C 17 85.757 -22.662 4.050 1.00 6.94 C -ATOM 4711 CG PHE C 17 85.954 -22.192 2.634 1.00 7.07 C -ATOM 4712 CD1 PHE C 17 85.581 -23.018 1.577 1.00 7.46 C -ATOM 4713 CE1 PHE C 17 85.751 -22.605 0.264 1.00 7.35 C -ATOM 4714 CZ PHE C 17 86.277 -21.338 0.000 1.00 7.08 C -ATOM 4715 CD2 PHE C 17 86.495 -20.939 2.335 1.00 6.98 C -ATOM 4716 CE2 PHE C 17 86.647 -20.513 1.025 1.00 7.40 C -ATOM 4717 C PHE C 17 88.202 -23.276 4.494 1.00 6.34 C -ATOM 4718 O PHE C 17 88.913 -23.467 3.522 1.00 6.35 O -ATOM 4719 N ASN C 18 88.616 -22.627 5.569 1.00 6.62 N -ATOM 4720 CA ASN C 18 89.994 -22.108 5.709 1.00 7.01 C -ATOM 4721 CB ASN C 18 90.126 -21.169 6.889 1.00 7.05 C -ATOM 4722 CG ASN C 18 89.714 -21.805 8.202 1.00 7.40 C -ATOM 4723 OD1 ASN C 18 88.544 -22.211 8.369 1.00 7.56 O -ATOM 4724 ND2 ASN C 18 90.628 -21.880 9.152 1.00 8.20 N -ATOM 4725 C ASN C 18 90.998 -23.240 5.806 1.00 7.32 C -ATOM 4726 O ASN C 18 92.182 -22.964 5.658 1.00 7.27 O -ATOM 4727 N GLY C 19 90.553 -24.457 6.086 1.00 6.98 N -ATOM 4728 CA GLY C 19 91.449 -25.632 6.129 1.00 7.40 C -ATOM 4729 C GLY C 19 91.516 -26.393 4.827 1.00 7.42 C -ATOM 4730 O GLY C 19 92.098 -27.531 4.814 1.00 8.52 O -ATOM 4731 N ILE C 20 90.929 -25.870 3.769 1.00 7.31 N -ATOM 4732 CA ILE C 20 90.856 -26.552 2.462 1.00 7.76 C -ATOM 4733 CB ILE C 20 89.416 -26.650 1.936 1.00 7.75 C -ATOM 4734 CG1 ILE C 20 88.540 -27.420 2.929 1.00 7.69 C -ATOM 4735 CG2 ILE C 20 89.405 -27.295 0.564 1.00 7.78 C -ATOM 4736 CD1 ILE C 20 87.062 -27.346 2.607 1.00 7.63 C -ATOM 4737 C ILE C 20 91.792 -25.838 1.484 1.00 6.80 C -ATOM 4738 O ILE C 20 91.738 -24.563 1.362 1.00 6.92 O -ATOM 4739 N ALA C 21 92.617 -26.617 0.790 1.00 7.44 N -ATOM 4740 CA ALA C 21 93.467 -26.133 -0.308 1.00 7.67 C -ATOM 4741 CB ALA C 21 94.804 -26.756 -0.233 1.00 8.01 C -ATOM 4742 C ALA C 21 92.810 -26.432 -1.641 1.00 7.65 C -ATOM 4743 O ALA C 21 92.208 -27.525 -1.832 1.00 7.77 O -ATOM 4744 N GLN C 22 92.914 -25.507 -2.584 1.00 7.34 N -ATOM 4745 CA GLN C 22 92.239 -25.623 -3.891 1.00 7.20 C -ATOM 4746 CB GLN C 22 91.006 -24.726 -4.020 1.00 7.95 C -ATOM 4747 CG GLN C 22 89.994 -24.920 -2.922 1.00 8.24 C -ATOM 4748 CD GLN C 22 88.758 -24.122 -3.269 1.00 8.51 C -ATOM 4749 OE1 GLN C 22 88.282 -24.124 -4.431 1.00 10.51 O -ATOM 4750 NE2 GLN C 22 88.163 -23.485 -2.279 1.00 8.63 N -ATOM 4751 C GLN C 22 93.197 -25.182 -4.984 1.00 6.92 C -ATOM 4752 O GLN C 22 93.969 -24.203 -4.801 1.00 7.67 O -ATOM 4753 N VAL C 23 93.093 -25.851 -6.108 1.00 6.89 N -ATOM 4754 CA VAL C 23 93.489 -25.286 -7.412 1.00 7.10 C -ATOM 4755 CB VAL C 23 93.651 -26.399 -8.450 1.00 7.68 C -ATOM 4756 CG1 VAL C 23 94.088 -25.846 -9.783 1.00 7.81 C -ATOM 4757 CG2 VAL C 23 94.645 -27.409 -7.937 1.00 8.46 C -ATOM 4758 C VAL C 23 92.427 -24.291 -7.839 1.00 7.12 C -ATOM 4759 O VAL C 23 91.237 -24.606 -7.890 1.00 7.48 O -ATOM 4760 N ALA C 24 92.882 -23.102 -8.204 1.00 6.94 N -ATOM 4761 CA ALA C 24 92.015 -22.018 -8.710 1.00 6.55 C -ATOM 4762 CB ALA C 24 92.145 -20.817 -7.791 1.00 7.13 C -ATOM 4763 C ALA C 24 92.452 -21.676 -10.118 1.00 6.67 C -ATOM 4764 O ALA C 24 93.576 -21.942 -10.516 1.00 6.48 O -ATOM 4765 N CYS C 25 91.560 -21.084 -10.905 1.00 6.86 N -ATOM 4766 CA CYS C 25 91.987 -20.603 -12.238 1.00 7.79 C -ATOM 4767 CB CYS C 25 90.807 -20.424 -13.175 1.00 8.76 C -ATOM 4768 SG CYS C 25 89.967 -18.826 -13.100 1.00 9.47 S -ATOM 4769 C CYS C 25 92.717 -19.272 -12.094 1.00 8.17 C -ATOM 4770 O CYS C 25 92.595 -18.578 -11.039 1.00 11.41 O -ATOM 4771 N HIS C 26 93.398 -18.849 -13.115 1.00 7.91 N -ATOM 4772 CA HIS C 26 93.931 -17.488 -13.242 1.00 7.85 C -ATOM 4773 CB HIS C 26 95.458 -17.492 -13.268 1.00 8.82 C -ATOM 4774 CG HIS C 26 96.040 -16.134 -13.214 1.00 9.17 C -ATOM 4775 ND1 HIS C 26 97.409 -15.981 -13.152 1.00 10.22 N -ATOM 4776 CE1 HIS C 26 97.696 -14.687 -13.114 1.00 12.14 C -ATOM 4777 NE2 HIS C 26 96.570 -13.997 -13.153 1.00 13.23 N -ATOM 4778 CD2 HIS C 26 95.516 -14.882 -13.219 1.00 12.38 C -ATOM 4779 C HIS C 26 93.339 -16.936 -14.531 1.00 7.52 C -ATOM 4780 O HIS C 26 93.648 -17.424 -15.628 1.00 7.52 O -ATOM 4781 N ASN C 27 92.470 -15.931 -14.455 1.00 7.13 N -ATOM 4782 CA ASN C 27 91.930 -15.244 -15.657 1.00 8.12 C -ATOM 4783 CB ASN C 27 93.018 -14.400 -16.336 1.00 8.91 C -ATOM 4784 CG ASN C 27 93.449 -13.206 -15.480 1.00 9.85 C -ATOM 4785 OD1 ASN C 27 92.765 -12.820 -14.548 1.00 10.15 O -ATOM 4786 ND2 ASN C 27 94.639 -12.661 -15.729 1.00 13.33 N -ATOM 4787 C ASN C 27 91.230 -16.248 -16.582 1.00 7.62 C -ATOM 4788 O ASN C 27 91.347 -16.088 -17.818 1.00 8.47 O -ATOM 4789 N CYS C 28 90.452 -17.196 -16.071 1.00 7.65 N -ATOM 4790 CA CYS C 28 89.831 -18.243 -16.908 1.00 8.79 C -ATOM 4791 CB CYS C 28 89.405 -19.467 -16.125 1.00 8.78 C -ATOM 4792 SG CYS C 28 88.418 -19.131 -14.659 1.00 10.28 S -ATOM 4793 C CYS C 28 88.624 -17.728 -17.676 1.00 8.57 C -ATOM 4794 O CYS C 28 88.040 -18.551 -18.385 1.00 9.55 O -ATOM 4795 N TYR C 29 88.318 -16.442 -17.630 1.00 8.62 N -ATOM 4796 CA TYR C 29 87.326 -15.794 -18.536 1.00 8.11 C -ATOM 4797 CB TYR C 29 86.839 -14.453 -17.936 1.00 8.45 C -ATOM 4798 CG TYR C 29 87.920 -13.417 -17.931 1.00 8.91 C -ATOM 4799 CD1 TYR C 29 88.181 -12.649 -19.049 1.00 9.38 C -ATOM 4800 CE1 TYR C 29 89.251 -11.797 -19.088 1.00 9.74 C -ATOM 4801 CZ TYR C 29 90.072 -11.673 -17.984 1.00 9.12 C -ATOM 4802 OH TYR C 29 91.123 -10.789 -18.101 1.00 10.01 O -ATOM 4803 CE2 TYR C 29 89.811 -12.415 -16.838 1.00 8.94 C -ATOM 4804 CD2 TYR C 29 88.755 -13.295 -16.834 1.00 8.52 C -ATOM 4805 C TYR C 29 87.956 -15.597 -19.924 1.00 8.17 C -ATOM 4806 O TYR C 29 87.252 -15.272 -20.922 1.00 8.98 O -ATOM 4807 N GLU C 30 89.272 -15.705 -20.043 1.00 8.53 N -ATOM 4808 CA GLU C 30 89.973 -15.489 -21.340 1.00 10.89 C -ATOM 4809 CB GLU C 30 91.452 -15.170 -21.116 1.00 12.18 C -ATOM 4810 CG GLU C 30 91.660 -13.828 -20.453 1.00 14.31 C -ATOM 4811 CD GLU C 30 93.071 -13.296 -20.551 1.00 16.03 C -ATOM 4812 OE1 GLU C 30 93.819 -13.483 -19.592 1.00 20.14 O -ATOM 4813 OE2 GLU C 30 93.429 -12.757 -21.607 1.00 18.53 O -ATOM 4814 C GLU C 30 89.771 -16.723 -22.214 1.00 11.41 C -ATOM 4815 O GLU C 30 89.898 -17.858 -21.766 1.00 11.46 O -ATOM 4816 N LYS C 31 89.491 -16.478 -23.489 1.00 11.93 N -ATOM 4817 CA LYS C 31 89.114 -17.553 -24.427 1.00 12.63 C -ATOM 4818 CB LYS C 31 88.747 -16.971 -25.798 1.00 13.96 C -ATOM 4819 CG LYS C 31 87.477 -16.135 -25.815 1.00 16.26 C -ATOM 4820 CD LYS C 31 87.280 -15.467 -27.154 1.00 18.62 C -ATOM 4821 CE LYS C 31 86.012 -14.648 -27.228 1.00 21.30 C -ATOM 4822 NZ LYS C 31 85.669 -14.370 -28.637 1.00 24.12 N -ATOM 4823 C LYS C 31 90.251 -18.571 -24.588 1.00 13.55 C -ATOM 4824 O LYS C 31 89.950 -19.717 -24.843 1.00 14.30 O -ATOM 4825 N GLN C 32 91.502 -18.155 -24.461 1.00 13.78 N -ATOM 4826 CA GLN C 32 92.699 -19.033 -24.586 1.00 14.01 C -ATOM 4827 CB GLN C 32 93.955 -18.165 -24.790 1.00 17.34 C -ATOM 4828 CG GLN C 32 94.913 -18.706 -25.842 1.00 22.85 C -ATOM 4829 CD GLN C 32 94.566 -18.463 -27.294 1.00 28.66 C -ATOM 4830 OE1 GLN C 32 94.438 -17.329 -27.754 1.00 36.87 O -ATOM 4831 NE2 GLN C 32 94.514 -19.540 -28.059 1.00 33.59 N -ATOM 4832 C GLN C 32 92.817 -19.988 -23.380 1.00 11.72 C -ATOM 4833 O GLN C 32 93.611 -20.949 -23.504 1.00 13.79 O -ATOM 4834 N TYR C 33 92.111 -19.749 -22.266 1.00 10.46 N -ATOM 4835 CA TYR C 33 92.237 -20.639 -21.087 1.00 10.37 C -ATOM 4836 CB TYR C 33 92.576 -19.850 -19.815 1.00 10.06 C -ATOM 4837 CG TYR C 33 93.815 -18.983 -19.923 1.00 9.51 C -ATOM 4838 CD1 TYR C 33 94.976 -19.484 -20.493 1.00 11.32 C -ATOM 4839 CE1 TYR C 33 96.101 -18.696 -20.656 1.00 11.56 C -ATOM 4840 CZ TYR C 33 96.089 -17.375 -20.257 1.00 11.72 C -ATOM 4841 OH TYR C 33 97.239 -16.641 -20.409 1.00 13.93 O -ATOM 4842 CE2 TYR C 33 94.954 -16.866 -19.661 1.00 10.70 C -ATOM 4843 CD2 TYR C 33 93.837 -17.662 -19.515 1.00 10.10 C -ATOM 4844 C TYR C 33 91.011 -21.541 -20.918 1.00 10.66 C -ATOM 4845 O TYR C 33 91.134 -22.540 -20.164 1.00 12.42 O -ATOM 4846 N ALA C 34 89.861 -21.247 -21.500 1.00 10.29 N -ATOM 4847 CA ALA C 34 88.706 -22.172 -21.446 1.00 10.51 C -ATOM 4848 CB ALA C 34 88.001 -22.079 -20.119 1.00 10.10 C -ATOM 4849 C ALA C 34 87.782 -21.810 -22.601 1.00 10.94 C -ATOM 4850 O ALA C 34 87.676 -20.614 -22.976 1.00 11.53 O -ATOM 4851 N ASN C 35 87.130 -22.815 -23.193 1.00 12.77 N -ATOM 4852 CA ASN C 35 86.230 -22.557 -24.343 1.00 13.66 C -ATOM 4853 CB ASN C 35 85.922 -23.802 -25.164 1.00 15.76 C -ATOM 4854 CG ASN C 35 87.152 -24.281 -25.903 1.00 18.14 C -ATOM 4855 OD1 ASN C 35 88.060 -23.502 -26.195 1.00 19.95 O -ATOM 4856 ND2 ASN C 35 87.223 -25.576 -26.169 1.00 19.56 N -ATOM 4857 C ASN C 35 84.986 -21.810 -23.872 1.00 13.87 C -ATOM 4858 O ASN C 35 84.530 -20.965 -24.637 1.00 14.77 O -ATOM 4859 N THR C 36 84.477 -22.094 -22.668 1.00 12.06 N -ATOM 4860 CA THR C 36 83.338 -21.355 -22.058 1.00 12.14 C -ATOM 4861 CB THR C 36 82.017 -22.123 -22.132 1.00 13.15 C -ATOM 4862 OG1 THR C 36 82.205 -23.335 -21.391 1.00 13.28 O -ATOM 4863 CG2 THR C 36 81.564 -22.332 -23.556 1.00 13.90 C -ATOM 4864 C THR C 36 83.683 -21.093 -20.597 1.00 10.18 C -ATOM 4865 O THR C 36 84.443 -21.884 -19.965 1.00 10.90 O -ATOM 4866 N PHE C 37 83.147 -20.044 -20.023 1.00 10.21 N -ATOM 4867 CA PHE C 37 83.412 -19.765 -18.594 1.00 10.77 C -ATOM 4868 CB PHE C 37 82.819 -18.417 -18.217 1.00 10.65 C -ATOM 4869 CG PHE C 37 83.318 -17.861 -16.906 1.00 10.13 C -ATOM 4870 CD1 PHE C 37 84.674 -17.706 -16.624 1.00 9.48 C -ATOM 4871 CE1 PHE C 37 85.095 -17.198 -15.409 1.00 9.69 C -ATOM 4872 CZ PHE C 37 84.166 -16.822 -14.475 1.00 9.81 C -ATOM 4873 CD2 PHE C 37 82.404 -17.471 -15.936 1.00 10.79 C -ATOM 4874 CE2 PHE C 37 82.834 -16.967 -14.719 1.00 10.73 C -ATOM 4875 C PHE C 37 82.843 -20.897 -17.754 1.00 10.82 C -ATOM 4876 O PHE C 37 83.486 -21.408 -16.817 1.00 10.70 O -ATOM 4877 N SER C 38 81.649 -21.343 -18.119 1.00 11.69 N -ATOM 4878 CA SER C 38 80.925 -22.394 -17.367 1.00 13.03 C -ATOM 4879 CB SER C 38 79.567 -22.628 -17.983 1.00 15.48 C -ATOM 4880 OG SER C 38 79.684 -23.226 -19.256 1.00 19.24 O -ATOM 4881 C SER C 38 81.759 -23.674 -17.298 1.00 12.18 C -ATOM 4882 O SER C 38 81.695 -24.360 -16.266 1.00 11.10 O -ATOM 4883 N SER C 39 82.483 -24.004 -18.355 1.00 11.11 N -ATOM 4884 CA SER C 39 83.210 -25.290 -18.470 1.00 10.67 C -ATOM 4885 CB SER C 39 83.795 -25.475 -19.836 1.00 12.20 C -ATOM 4886 OG SER C 39 84.887 -24.600 -20.050 1.00 12.03 O -ATOM 4887 C SER C 39 84.304 -25.340 -17.398 1.00 9.44 C -ATOM 4888 O SER C 39 84.705 -26.438 -17.028 1.00 10.03 O -ATOM 4889 N VAL C 40 84.757 -24.206 -16.877 1.00 9.49 N -ATOM 4890 CA VAL C 40 85.832 -24.187 -15.851 1.00 8.66 C -ATOM 4891 CB VAL C 40 86.211 -22.753 -15.478 1.00 8.69 C -ATOM 4892 CG1 VAL C 40 87.211 -22.706 -14.316 1.00 9.44 C -ATOM 4893 CG2 VAL C 40 86.717 -22.024 -16.704 1.00 8.97 C -ATOM 4894 C VAL C 40 85.364 -24.993 -14.642 1.00 8.76 C -ATOM 4895 O VAL C 40 86.179 -25.610 -13.945 1.00 8.21 O -ATOM 4896 N LEU C 41 84.058 -24.951 -14.382 1.00 9.21 N -ATOM 4897 CA LEU C 41 83.476 -25.621 -13.185 1.00 9.86 C -ATOM 4898 CB LEU C 41 82.088 -25.045 -12.888 1.00 9.83 C -ATOM 4899 CG LEU C 41 82.145 -23.617 -12.354 1.00 10.08 C -ATOM 4900 CD1 LEU C 41 80.858 -22.855 -12.539 1.00 10.77 C -ATOM 4901 CD2 LEU C 41 82.492 -23.647 -10.876 1.00 10.81 C -ATOM 4902 C LEU C 41 83.463 -27.144 -13.372 1.00 10.02 C -ATOM 4903 O LEU C 41 83.111 -27.864 -12.449 1.00 10.79 O -ATOM 4904 N ASP C 42 83.858 -27.660 -14.539 1.00 10.42 N -ATOM 4905 CA ASP C 42 84.127 -29.120 -14.658 1.00 11.25 C -ATOM 4906 CB ASP C 42 84.246 -29.575 -16.116 1.00 12.84 C -ATOM 4907 CG ASP C 42 83.022 -29.349 -16.985 1.00 13.25 C -ATOM 4908 OD1 ASP C 42 81.934 -29.145 -16.457 1.00 13.53 O -ATOM 4909 OD2 ASP C 42 83.176 -29.405 -18.214 1.00 17.26 O -ATOM 4910 C ASP C 42 85.425 -29.493 -13.931 1.00 11.36 C -ATOM 4911 O ASP C 42 85.625 -30.711 -13.698 1.00 12.28 O -ATOM 4912 N SER C 43 86.301 -28.552 -13.588 1.00 10.26 N -ATOM 4913 CA SER C 43 87.668 -28.840 -13.084 1.00 9.54 C -ATOM 4914 CB SER C 43 88.712 -28.341 -14.057 1.00 10.58 C -ATOM 4915 OG SER C 43 88.530 -28.983 -15.320 1.00 13.62 O -ATOM 4916 C SER C 43 87.916 -28.273 -11.690 1.00 9.40 C -ATOM 4917 O SER C 43 88.774 -28.796 -10.999 1.00 8.78 O -ATOM 4918 N VAL C 44 87.376 -27.067 -11.432 1.00 7.97 N -ATOM 4919 CA VAL C 44 87.691 -26.317 -10.183 1.00 7.51 C -ATOM 4920 CB VAL C 44 88.858 -25.316 -10.379 1.00 7.80 C -ATOM 4921 CG1 VAL C 44 90.165 -25.980 -10.760 1.00 8.03 C -ATOM 4922 CG2 VAL C 44 88.513 -24.196 -11.375 1.00 8.24 C -ATOM 4923 C VAL C 44 86.451 -25.639 -9.651 1.00 7.99 C -ATOM 4924 O VAL C 44 85.431 -25.617 -10.355 1.00 7.70 O -ATOM 4925 N ARG C 45 86.579 -25.116 -8.420 1.00 7.02 N -ATOM 4926 CA ARG C 45 85.467 -24.366 -7.793 1.00 7.17 C -ATOM 4927 CB ARG C 45 85.020 -25.064 -6.502 1.00 7.17 C -ATOM 4928 C ARG C 45 85.854 -22.916 -7.489 1.00 6.75 C -ATOM 4929 O ARG C 45 85.083 -22.248 -6.801 1.00 8.26 O -ATOM 4930 N THR C 46 86.996 -22.443 -7.974 1.00 6.69 N -ATOM 4931 CA THR C 46 87.432 -21.040 -7.752 1.00 7.00 C -ATOM 4932 CB THR C 46 88.562 -20.959 -6.727 1.00 7.63 C -ATOM 4933 OG1 THR C 46 88.062 -21.489 -5.506 1.00 8.08 O -ATOM 4934 CG2 THR C 46 88.994 -19.529 -6.508 1.00 7.75 C -ATOM 4935 C THR C 46 87.815 -20.446 -9.093 1.00 7.61 C -ATOM 4936 O THR C 46 88.708 -20.985 -9.774 1.00 7.40 O -ATOM 4937 N LEU C 47 87.130 -19.388 -9.478 1.00 7.68 N -ATOM 4938 CA LEU C 47 87.216 -18.767 -10.825 1.00 8.68 C -ATOM 4939 CB LEU C 47 85.869 -18.809 -11.551 1.00 11.44 C -ATOM 4940 CG LEU C 47 85.297 -20.179 -11.867 1.00 13.74 C -ATOM 4941 CD1 LEU C 47 84.090 -20.073 -12.761 1.00 15.22 C -ATOM 4942 CD2 LEU C 47 86.275 -21.091 -12.493 1.00 17.16 C -ATOM 4943 C LEU C 47 87.618 -17.301 -10.699 1.00 8.31 C -ATOM 4944 O LEU C 47 87.899 -16.832 -9.579 1.00 8.81 O -ATOM 4945 N GLU C 48 87.701 -16.592 -11.817 1.00 7.30 N -ATOM 4946 CA GLU C 48 88.185 -15.197 -11.812 1.00 7.15 C -ATOM 4947 CB GLU C 48 89.710 -15.148 -11.888 1.00 7.17 C -ATOM 4948 CG GLU C 48 90.283 -13.735 -11.828 1.00 8.09 C -ATOM 4949 CD GLU C 48 91.785 -13.671 -11.665 1.00 8.07 C -ATOM 4950 OE1 GLU C 48 92.477 -14.691 -11.884 1.00 8.54 O -ATOM 4951 OE2 GLU C 48 92.304 -12.543 -11.351 1.00 10.29 O -ATOM 4952 C GLU C 48 87.556 -14.455 -12.986 1.00 7.43 C -ATOM 4953 O GLU C 48 87.513 -15.001 -14.134 1.00 8.01 O -ATOM 4954 N LEU C 49 87.206 -13.190 -12.734 1.00 6.79 N -ATOM 4955 CA LEU C 49 86.720 -12.254 -13.778 1.00 7.00 C -ATOM 4956 CB LEU C 49 85.217 -12.030 -13.583 1.00 8.44 C -ATOM 4957 CG LEU C 49 84.375 -13.235 -13.968 1.00 8.41 C -ATOM 4958 CD1 LEU C 49 82.975 -13.114 -13.400 1.00 10.34 C -ATOM 4959 CD2 LEU C 49 84.318 -13.402 -15.466 1.00 8.67 C -ATOM 4960 C LEU C 49 87.461 -10.951 -13.573 1.00 7.67 C -ATOM 4961 O LEU C 49 87.505 -10.444 -12.435 1.00 8.96 O -ATOM 4962 N ASP C 50 87.955 -10.385 -14.658 1.00 7.43 N -ATOM 4963 CA ASP C 50 88.519 -9.016 -14.634 1.00 7.72 C -ATOM 4964 CB ASP C 50 89.738 -8.906 -15.531 1.00 8.50 C -ATOM 4965 CG ASP C 50 90.977 -9.664 -15.064 1.00 9.06 C -ATOM 4966 OD1 ASP C 50 91.012 -10.096 -13.919 1.00 10.97 O -ATOM 4967 OD2 ASP C 50 91.929 -9.749 -15.856 1.00 10.08 O -ATOM 4968 C ASP C 50 87.450 -8.064 -15.176 1.00 7.22 C -ATOM 4969 O ASP C 50 86.898 -8.318 -16.280 1.00 8.54 O -ATOM 4970 N PHE C 51 87.137 -7.012 -14.436 1.00 6.71 N -ATOM 4971 CA PHE C 51 85.978 -6.186 -14.840 1.00 7.23 C -ATOM 4972 CB PHE C 51 84.740 -6.462 -13.994 1.00 7.34 C -ATOM 4973 CG PHE C 51 84.741 -6.053 -12.554 1.00 7.41 C -ATOM 4974 CD2 PHE C 51 84.073 -4.888 -12.191 1.00 8.03 C -ATOM 4975 CE2 PHE C 51 84.032 -4.492 -10.878 1.00 7.89 C -ATOM 4976 CZ PHE C 51 84.685 -5.227 -9.908 1.00 7.89 C -ATOM 4977 CD1 PHE C 51 85.381 -6.792 -11.565 1.00 7.46 C -ATOM 4978 CE1 PHE C 51 85.394 -6.337 -10.269 1.00 7.50 C -ATOM 4979 C PHE C 51 86.330 -4.707 -14.866 1.00 7.40 C -ATOM 4980 O PHE C 51 86.995 -4.158 -13.988 1.00 7.13 O -ATOM 4981 N TRP C 52 85.802 -4.084 -15.920 1.00 7.52 N -ATOM 4982 CA TRP C 52 86.045 -2.673 -16.299 1.00 7.81 C -ATOM 4983 CB TRP C 52 86.642 -2.609 -17.712 1.00 8.17 C -ATOM 4984 CG TRP C 52 87.976 -3.298 -17.794 1.00 8.94 C -ATOM 4985 CD1 TRP C 52 88.247 -4.642 -17.875 1.00 9.01 C -ATOM 4986 NE1 TRP C 52 89.601 -4.852 -17.923 1.00 10.15 N -ATOM 4987 CE2 TRP C 52 90.237 -3.651 -17.894 1.00 10.45 C -ATOM 4988 CD2 TRP C 52 89.252 -2.646 -17.793 1.00 9.58 C -ATOM 4989 CE3 TRP C 52 89.652 -1.319 -17.740 1.00 11.47 C -ATOM 4990 CZ3 TRP C 52 90.992 -1.036 -17.719 1.00 12.43 C -ATOM 4991 CH2 TRP C 52 91.940 -2.036 -17.781 1.00 12.80 C -ATOM 4992 CZ2 TRP C 52 91.597 -3.351 -17.880 1.00 11.47 C -ATOM 4993 C TRP C 52 84.750 -1.871 -16.251 1.00 7.39 C -ATOM 4994 O TRP C 52 83.683 -2.347 -16.583 1.00 8.18 O -ATOM 4995 N ASP C 53 84.880 -0.624 -15.825 1.00 8.33 N -ATOM 4996 CA ASP C 53 83.761 0.345 -15.857 1.00 8.21 C -ATOM 4997 CB ASP C 53 84.094 1.566 -14.996 1.00 8.45 C -ATOM 4998 CG ASP C 53 83.864 1.293 -13.529 1.00 8.38 C -ATOM 4999 OD1 ASP C 53 84.442 0.278 -13.051 1.00 8.77 O -ATOM 5000 OD2 ASP C 53 83.145 2.096 -12.873 1.00 9.96 O -ATOM 5001 C ASP C 53 83.454 0.789 -17.282 1.00 8.63 C -ATOM 5002 O ASP C 53 82.261 0.984 -17.626 1.00 9.87 O -ATOM 5003 N GLN C 54 84.479 1.001 -18.076 1.00 8.84 N -ATOM 5004 CA GLN C 54 84.307 1.665 -19.388 1.00 9.81 C -ATOM 5005 CB GLN C 54 85.120 2.949 -19.403 1.00 10.51 C -ATOM 5006 CG GLN C 54 84.499 3.971 -18.445 1.00 11.79 C -ATOM 5007 CD GLN C 54 85.312 5.225 -18.268 1.00 11.71 C -ATOM 5008 OE1 GLN C 54 86.486 5.170 -17.946 1.00 14.20 O -ATOM 5009 NE2 GLN C 54 84.707 6.382 -18.485 1.00 11.74 N -ATOM 5010 C GLN C 54 84.648 0.703 -20.519 1.00 9.49 C -ATOM 5011 O GLN C 54 85.276 -0.376 -20.288 1.00 9.69 O -ATOM 5012 N ARG C 55 84.163 1.008 -21.711 1.00 9.80 N -ATOM 5013 CA ARG C 55 84.317 0.131 -22.901 1.00 10.60 C -ATOM 5014 CB ARG C 55 83.435 0.648 -24.033 1.00 11.38 C -ATOM 5015 CG ARG C 55 83.477 -0.198 -25.295 1.00 14.30 C -ATOM 5016 CD ARG C 55 82.818 0.540 -26.446 1.00 18.60 C -ATOM 5017 NE ARG C 55 81.391 0.473 -26.178 1.00 25.22 N -ATOM 5018 CZ ARG C 55 80.641 -0.600 -26.414 1.00 30.63 C -ATOM 5019 NH1 ARG C 55 81.190 -1.666 -26.966 1.00 33.57 N -ATOM 5020 NH2 ARG C 55 79.352 -0.615 -26.110 1.00 32.41 N -ATOM 5021 C ARG C 55 85.772 0.127 -23.320 1.00 10.50 C -ATOM 5022 O ARG C 55 86.264 -0.900 -23.826 1.00 10.69 O -ATOM 5023 N ASP C 56 86.432 1.257 -23.191 1.00 11.24 N -ATOM 5024 CA ASP C 56 87.903 1.395 -23.306 1.00 12.68 C -ATOM 5025 CB ASP C 56 88.335 2.149 -24.575 1.00 12.90 C -ATOM 5026 CG ASP C 56 87.813 3.568 -24.718 1.00 11.31 C -ATOM 5027 OD1 ASP C 56 87.275 4.146 -23.767 1.00 12.09 O -ATOM 5028 OD2 ASP C 56 88.023 4.121 -25.816 1.00 14.07 O -ATOM 5029 C ASP C 56 88.378 2.034 -22.016 1.00 13.78 C -ATOM 5030 O ASP C 56 87.668 1.883 -21.002 1.00 16.13 O -ATOM 5031 N ALA C 57 89.493 2.743 -22.012 1.00 14.33 N -ATOM 5032 CA ALA C 57 90.024 3.321 -20.767 1.00 15.11 C -ATOM 5033 CB ALA C 57 91.498 3.632 -20.924 1.00 16.48 C -ATOM 5034 C ALA C 57 89.251 4.570 -20.315 1.00 15.41 C -ATOM 5035 O ALA C 57 89.369 4.915 -19.139 1.00 18.37 O -ATOM 5036 N VAL C 58 88.524 5.268 -21.193 1.00 13.15 N -ATOM 5037 CA VAL C 58 88.083 6.680 -20.964 1.00 13.12 C -ATOM 5038 CB VAL C 58 88.966 7.681 -21.751 1.00 13.46 C -ATOM 5039 CG1 VAL C 58 88.753 7.562 -23.254 1.00 13.03 C -ATOM 5040 CG2 VAL C 58 88.801 9.131 -21.320 1.00 13.75 C -ATOM 5041 C VAL C 58 86.612 6.864 -21.351 1.00 11.54 C -ATOM 5042 O VAL C 58 86.082 7.995 -21.187 1.00 11.71 O -ATOM 5043 N SER C 59 85.934 5.855 -21.841 1.00 10.18 N -ATOM 5044 CA SER C 59 84.615 6.076 -22.489 1.00 9.66 C -ATOM 5045 CB SER C 59 84.795 6.627 -23.879 1.00 9.93 C -ATOM 5046 OG SER C 59 85.349 5.653 -24.712 1.00 11.45 O -ATOM 5047 C SER C 59 83.738 4.823 -22.535 1.00 8.90 C -ATOM 5048 O SER C 59 84.293 3.690 -22.532 1.00 9.62 O -ATOM 5049 N GLY C 60 82.438 4.994 -22.633 1.00 8.63 N -ATOM 5050 CA GLY C 60 81.524 3.917 -23.032 1.00 9.68 C -ATOM 5051 C GLY C 60 80.899 3.193 -21.852 1.00 9.68 C -ATOM 5052 O GLY C 60 80.175 2.219 -22.082 1.00 11.54 O -ATOM 5053 N GLY C 61 81.101 3.647 -20.608 1.00 9.03 N -ATOM 5054 CA GLY C 61 80.386 3.044 -19.467 1.00 10.31 C -ATOM 5055 C GLY C 61 78.875 3.297 -19.473 1.00 9.85 C -ATOM 5056 O GLY C 61 78.385 4.273 -20.118 1.00 11.65 O -ATOM 5057 N SER C 62 78.110 2.483 -18.765 1.00 10.81 N -ATOM 5058 CA SER C 62 76.679 2.702 -18.521 1.00 11.87 C -ATOM 5059 CB SER C 62 75.819 1.863 -19.409 1.00 13.34 C -ATOM 5060 OG SER C 62 76.227 0.524 -19.397 1.00 15.06 O -ATOM 5061 C SER C 62 76.401 2.381 -17.071 1.00 11.11 C -ATOM 5062 O SER C 62 77.166 1.646 -16.402 1.00 10.82 O -ATOM 5063 N PRO C 63 75.254 2.859 -16.556 1.00 11.36 N -ATOM 5064 CA PRO C 63 74.926 2.568 -15.172 1.00 11.09 C -ATOM 5065 CB PRO C 63 73.601 3.271 -14.907 1.00 12.04 C -ATOM 5066 CG PRO C 63 73.369 4.193 -16.083 1.00 12.79 C -ATOM 5067 CD PRO C 63 74.256 3.727 -17.224 1.00 11.85 C -ATOM 5068 C PRO C 63 74.721 1.071 -14.945 1.00 9.31 C -ATOM 5069 O PRO C 63 74.123 0.412 -15.733 1.00 11.72 O -ATOM 5070 N HIS C 64 75.128 0.594 -13.768 1.00 9.67 N -ATOM 5071 CA HIS C 64 74.717 -0.729 -13.227 1.00 10.74 C -ATOM 5072 CB HIS C 64 73.185 -0.853 -13.079 1.00 10.99 C -ATOM 5073 CG HIS C 64 72.453 0.351 -12.604 1.00 12.64 C -ATOM 5074 ND1 HIS C 64 72.853 1.152 -11.549 1.00 15.14 N -ATOM 5075 CE1 HIS C 64 72.002 2.171 -11.416 1.00 14.17 C -ATOM 5076 NE2 HIS C 64 71.086 2.058 -12.370 1.00 17.02 N -ATOM 5077 CD2 HIS C 64 71.375 0.954 -13.137 1.00 14.21 C -ATOM 5078 C HIS C 64 75.291 -1.848 -14.094 1.00 9.76 C -ATOM 5079 O HIS C 64 74.698 -2.922 -14.114 1.00 12.11 O -ATOM 5080 N HIS C 65 76.362 -1.559 -14.803 1.00 9.51 N -ATOM 5081 CA HIS C 65 76.946 -2.465 -15.807 1.00 9.38 C -ATOM 5082 CB HIS C 65 76.408 -2.009 -17.185 1.00 11.76 C -ATOM 5083 CG HIS C 65 77.118 -2.571 -18.361 1.00 14.61 C -ATOM 5084 ND1 HIS C 65 78.330 -2.088 -18.815 1.00 15.64 N -ATOM 5085 CE1 HIS C 65 78.728 -2.834 -19.831 1.00 15.46 C -ATOM 5086 NE2 HIS C 65 77.794 -3.786 -20.059 1.00 15.16 N -ATOM 5087 CD2 HIS C 65 76.798 -3.620 -19.151 1.00 15.40 C -ATOM 5088 C HIS C 65 78.458 -2.369 -15.746 1.00 8.92 C -ATOM 5089 O HIS C 65 78.981 -1.271 -15.527 1.00 8.39 O -ATOM 5090 N TRP C 66 79.133 -3.506 -15.917 1.00 8.09 N -ATOM 5091 CA TRP C 66 80.592 -3.537 -16.109 1.00 8.21 C -ATOM 5092 CB TRP C 66 81.327 -3.949 -14.830 1.00 8.01 C -ATOM 5093 CG TRP C 66 81.224 -2.995 -13.685 1.00 7.67 C -ATOM 5094 CD1 TRP C 66 82.193 -2.118 -13.312 1.00 7.36 C -ATOM 5095 NE1 TRP C 66 81.783 -1.402 -12.208 1.00 7.31 N -ATOM 5096 CE2 TRP C 66 80.539 -1.802 -11.867 1.00 7.70 C -ATOM 5097 CD2 TRP C 66 80.137 -2.830 -12.753 1.00 7.93 C -ATOM 5098 CE3 TRP C 66 78.873 -3.389 -12.597 1.00 8.67 C -ATOM 5099 CZ3 TRP C 66 78.069 -2.926 -11.576 1.00 9.04 C -ATOM 5100 CH2 TRP C 66 78.514 -1.948 -10.696 1.00 8.45 C -ATOM 5101 CZ2 TRP C 66 79.750 -1.394 -10.793 1.00 8.80 C -ATOM 5102 C TRP C 66 80.938 -4.491 -17.244 1.00 7.74 C -ATOM 5103 O TRP C 66 80.152 -5.433 -17.514 1.00 8.60 O -ATOM 5104 N PHE C 67 82.061 -4.252 -17.872 1.00 7.87 N -ATOM 5105 CA PHE C 67 82.579 -5.116 -18.940 1.00 8.28 C -ATOM 5106 CB PHE C 67 83.331 -4.294 -19.962 1.00 8.73 C -ATOM 5107 CG PHE C 67 82.532 -3.199 -20.613 1.00 9.11 C -ATOM 5108 CD2 PHE C 67 81.867 -3.414 -21.810 1.00 10.49 C -ATOM 5109 CE2 PHE C 67 81.141 -2.404 -22.432 1.00 11.66 C -ATOM 5110 CZ PHE C 67 81.086 -1.156 -21.870 1.00 11.76 C -ATOM 5111 CD1 PHE C 67 82.448 -1.928 -20.049 1.00 9.83 C -ATOM 5112 CE1 PHE C 67 81.778 -0.900 -20.715 1.00 11.01 C -ATOM 5113 C PHE C 67 83.546 -6.155 -18.382 1.00 7.70 C -ATOM 5114 O PHE C 67 84.152 -5.912 -17.311 1.00 8.15 O -ATOM 5115 N VAL C 68 83.747 -7.248 -19.108 1.00 7.95 N -ATOM 5116 CA VAL C 68 84.761 -8.265 -18.729 1.00 8.06 C -ATOM 5117 CB VAL C 68 84.138 -9.597 -18.288 1.00 7.95 C -ATOM 5118 CG1 VAL C 68 85.176 -10.709 -18.189 1.00 8.37 C -ATOM 5119 CG2 VAL C 68 83.380 -9.429 -16.977 1.00 7.99 C -ATOM 5120 C VAL C 68 85.733 -8.431 -19.889 1.00 8.06 C -ATOM 5121 O VAL C 68 85.331 -8.858 -20.989 1.00 8.24 O -ATOM 5122 N ARG C 69 86.977 -8.095 -19.639 1.00 7.57 N -ATOM 5123 CA ARG C 69 88.106 -8.223 -20.596 1.00 9.18 C -ATOM 5124 CB ARG C 69 87.987 -7.144 -21.681 1.00 8.67 C -ATOM 5125 CG ARG C 69 88.196 -5.728 -21.163 1.00 8.63 C -ATOM 5126 CD ARG C 69 88.179 -4.763 -22.345 1.00 9.93 C -ATOM 5127 NE ARG C 69 88.471 -3.412 -21.899 1.00 9.53 N -ATOM 5128 CZ ARG C 69 87.559 -2.591 -21.399 1.00 9.18 C -ATOM 5129 NH1 ARG C 69 86.293 -2.964 -21.377 1.00 9.18 N -ATOM 5130 NH2 ARG C 69 87.935 -1.408 -20.916 1.00 9.58 N -ATOM 5131 C ARG C 69 89.406 -8.072 -19.808 1.00 8.93 C -ATOM 5132 O ARG C 69 89.409 -7.589 -18.662 1.00 8.99 O -ATOM 5133 N HIS C 70 90.524 -8.403 -20.432 1.00 10.08 N -ATOM 5134 CA HIS C 70 91.836 -8.331 -19.755 1.00 11.89 C -ATOM 5135 CB HIS C 70 92.789 -9.370 -20.364 1.00 12.23 C -ATOM 5136 CG HIS C 70 94.132 -9.387 -19.696 1.00 14.83 C -ATOM 5137 ND1 HIS C 70 94.314 -9.410 -18.313 1.00 19.41 N -ATOM 5138 CE1 HIS C 70 95.605 -9.474 -18.038 1.00 20.29 C -ATOM 5139 NE2 HIS C 70 96.266 -9.488 -19.186 1.00 20.37 N -ATOM 5140 CD2 HIS C 70 95.369 -9.456 -20.221 1.00 18.01 C -ATOM 5141 C HIS C 70 92.420 -6.921 -19.833 1.00 12.39 C -ATOM 5142 O HIS C 70 92.929 -6.431 -18.837 1.00 15.00 O -ATOM 5143 N ASN C 71 92.424 -6.357 -21.023 1.00 13.43 N -ATOM 5144 CA ASN C 71 93.239 -5.144 -21.291 1.00 14.04 C -ATOM 5145 CB ASN C 71 94.016 -5.317 -22.595 1.00 15.69 C -ATOM 5146 CG ASN C 71 94.890 -6.555 -22.578 1.00 19.17 C -ATOM 5147 OD1 ASN C 71 94.781 -7.417 -23.450 1.00 23.44 O -ATOM 5148 ND2 ASN C 71 95.725 -6.676 -21.565 1.00 18.05 N -ATOM 5149 C ASN C 71 92.352 -3.903 -21.309 1.00 12.58 C -ATOM 5150 O ASN C 71 91.136 -3.968 -21.461 1.00 11.77 O -ATOM 5151 N PRO C 72 92.961 -2.705 -21.168 1.00 13.75 N -ATOM 5152 CA PRO C 72 92.182 -1.463 -21.206 1.00 14.95 C -ATOM 5153 CB PRO C 72 93.174 -0.317 -20.956 1.00 16.81 C -ATOM 5154 CG PRO C 72 94.487 -0.983 -20.562 1.00 16.61 C -ATOM 5155 CD PRO C 72 94.376 -2.482 -20.817 1.00 16.37 C -ATOM 5156 C PRO C 72 91.411 -1.286 -22.514 1.00 16.29 C -ATOM 5157 O PRO C 72 90.326 -0.758 -22.418 1.00 15.01 O -ATOM 5158 N GLY C 73 91.950 -1.771 -23.639 1.00 19.04 N -ATOM 5159 CA GLY C 73 91.278 -1.843 -24.956 1.00 22.60 C -ATOM 5160 C GLY C 73 91.212 -3.265 -25.506 1.00 24.75 C -ATOM 5161 O GLY C 73 92.117 -4.047 -25.212 1.00 26.36 O -ATOM 5162 N THR C 74 90.173 -3.601 -26.280 1.00 27.76 N -ATOM 5163 CA THR C 74 90.034 -4.899 -27.001 1.00 28.52 C -ATOM 5164 CB THR C 74 89.064 -5.854 -26.285 1.00 27.99 C -ATOM 5165 OG1 THR C 74 89.003 -7.073 -27.035 1.00 27.05 O -ATOM 5166 CG2 THR C 74 87.670 -5.290 -26.088 1.00 27.00 C -ATOM 5167 C THR C 74 89.648 -4.611 -28.457 1.00 31.59 C -ATOM 5168 O THR C 74 88.967 -3.589 -28.689 1.00 30.44 O -ATOM 5169 N LEU C 75 90.113 -5.465 -29.382 1.00 35.50 N -ATOM 5170 CA LEU C 75 89.636 -5.596 -30.796 1.00 36.89 C -ATOM 5171 CB LEU C 75 90.339 -6.791 -31.456 1.00 39.22 C -ATOM 5172 CG LEU C 75 91.653 -6.512 -32.185 1.00 41.97 C -ATOM 5173 CD1 LEU C 75 92.780 -6.176 -31.209 1.00 42.93 C -ATOM 5174 CD2 LEU C 75 92.032 -7.711 -33.051 1.00 40.53 C -ATOM 5175 C LEU C 75 88.114 -5.824 -30.861 1.00 36.55 C -ATOM 5176 O LEU C 75 87.532 -5.572 -31.941 1.00 33.23 O -ATOM 5177 N PHE C 76 87.497 -6.368 -29.799 1.00 34.64 N -ATOM 5178 CA PHE C 76 86.028 -6.606 -29.713 1.00 34.11 C -ATOM 5179 CB PHE C 76 85.700 -7.663 -28.650 1.00 34.37 C -ATOM 5180 CG PHE C 76 85.990 -9.076 -29.101 1.00 35.85 C -ATOM 5181 CD1 PHE C 76 85.185 -9.700 -30.047 1.00 35.73 C -ATOM 5182 CE1 PHE C 76 85.464 -10.989 -30.479 1.00 35.71 C -ATOM 5183 CZ PHE C 76 86.558 -11.666 -29.982 1.00 34.53 C -ATOM 5184 CD2 PHE C 76 87.094 -9.769 -28.622 1.00 34.94 C -ATOM 5185 CE2 PHE C 76 87.373 -11.060 -29.052 1.00 34.72 C -ATOM 5186 C PHE C 76 85.333 -5.250 -29.519 1.00 33.76 C -ATOM 5187 O PHE C 76 85.708 -4.474 -28.609 1.00 31.77 O -ATOM 5188 N GLN C 77 84.359 -4.965 -30.387 1.00 34.44 N -ATOM 5189 CA GLN C 77 83.691 -3.643 -30.475 1.00 33.34 C -ATOM 5190 CB GLN C 77 82.736 -3.601 -31.670 1.00 35.48 C -ATOM 5191 CG GLN C 77 82.596 -2.204 -32.256 1.00 38.33 C -ATOM 5192 CD GLN C 77 83.851 -1.810 -32.996 1.00 40.75 C -ATOM 5193 OE1 GLN C 77 84.145 -2.347 -34.060 1.00 48.26 O -ATOM 5194 NE2 GLN C 77 84.616 -0.884 -32.432 1.00 41.22 N -ATOM 5195 C GLN C 77 82.941 -3.372 -29.170 1.00 30.09 C -ATOM 5196 O GLN C 77 82.876 -2.188 -28.761 1.00 28.70 O -ATOM 5197 N SER C 78 82.446 -4.450 -28.550 1.00 27.52 N -ATOM 5198 CA SER C 78 81.530 -4.475 -27.377 1.00 23.20 C -ATOM 5199 CB SER C 78 80.981 -5.838 -27.194 1.00 22.84 C -ATOM 5200 OG SER C 78 82.047 -6.720 -26.875 1.00 24.20 O -ATOM 5201 C SER C 78 82.238 -4.049 -26.078 1.00 18.46 C -ATOM 5202 O SER C 78 81.513 -3.732 -25.120 1.00 22.56 O -ATOM 5203 N GLY C 79 83.577 -4.060 -26.040 1.00 17.59 N -ATOM 5204 CA GLY C 79 84.372 -3.898 -24.803 1.00 13.66 C -ATOM 5205 C GLY C 79 84.399 -5.146 -23.923 1.00 11.76 C -ATOM 5206 O GLY C 79 85.016 -5.107 -22.852 1.00 11.19 O -ATOM 5207 N ASN C 80 83.732 -6.209 -24.341 1.00 11.22 N -ATOM 5208 CA ASN C 80 83.799 -7.550 -23.701 1.00 11.01 C -ATOM 5209 CB ASN C 80 82.420 -8.149 -23.514 1.00 11.19 C -ATOM 5210 CG ASN C 80 81.535 -7.283 -22.667 1.00 10.53 C -ATOM 5211 OD1 ASN C 80 80.413 -6.964 -23.066 1.00 12.90 O -ATOM 5212 ND2 ASN C 80 82.000 -6.958 -21.480 1.00 8.79 N -ATOM 5213 C ASN C 80 84.695 -8.452 -24.535 1.00 10.66 C -ATOM 5214 O ASN C 80 84.595 -8.443 -25.802 1.00 13.02 O -ATOM 5215 N ASP C 81 85.653 -9.104 -23.893 1.00 10.15 N -ATOM 5216 CA ASP C 81 86.553 -10.078 -24.550 1.00 9.77 C -ATOM 5217 CB ASP C 81 87.845 -9.377 -24.934 1.00 11.29 C -ATOM 5218 CG ASP C 81 88.820 -10.232 -25.704 1.00 13.12 C -ATOM 5219 OD1 ASP C 81 88.572 -11.454 -25.802 1.00 13.22 O -ATOM 5220 OD2 ASP C 81 89.796 -9.668 -26.215 1.00 16.79 O -ATOM 5221 C ASP C 81 86.721 -11.256 -23.585 1.00 9.63 C -ATOM 5222 O ASP C 81 87.571 -11.199 -22.665 1.00 10.36 O -ATOM 5223 N ASN C 82 85.882 -12.258 -23.738 1.00 10.24 N -ATOM 5224 CA ASN C 82 85.760 -13.318 -22.722 1.00 8.78 C -ATOM 5225 CB ASN C 82 85.144 -12.780 -21.429 1.00 9.41 C -ATOM 5226 CG ASN C 82 83.715 -12.352 -21.639 1.00 9.63 C -ATOM 5227 OD1 ASN C 82 82.878 -13.168 -22.021 1.00 10.41 O -ATOM 5228 ND2 ASN C 82 83.462 -11.067 -21.405 1.00 10.28 N -ATOM 5229 C ASN C 82 84.958 -14.465 -23.308 1.00 9.89 C -ATOM 5230 O ASN C 82 84.464 -14.384 -24.452 1.00 10.25 O -ATOM 5231 N ASN C 83 84.958 -15.562 -22.557 1.00 9.45 N -ATOM 5232 CA ASN C 83 84.315 -16.824 -22.941 1.00 9.96 C -ATOM 5233 CB ASN C 83 85.234 -17.999 -22.644 1.00 9.98 C -ATOM 5234 CG ASN C 83 85.640 -18.070 -21.188 1.00 9.23 C -ATOM 5235 OD1 ASN C 83 84.992 -17.412 -20.366 1.00 10.62 O -ATOM 5236 ND2 ASN C 83 86.729 -18.766 -20.873 1.00 10.16 N -ATOM 5237 C ASN C 83 82.958 -17.011 -22.260 1.00 10.75 C -ATOM 5238 O ASN C 83 82.488 -18.143 -22.208 1.00 10.34 O -ATOM 5239 N CYS C 84 82.338 -15.947 -21.761 1.00 10.42 N -ATOM 5240 CA CYS C 84 81.005 -16.024 -21.132 1.00 11.42 C -ATOM 5241 CB CYS C 84 80.797 -14.845 -20.212 1.00 10.60 C -ATOM 5242 SG CYS C 84 82.115 -14.724 -18.989 1.00 10.30 S -ATOM 5243 C CYS C 84 79.895 -16.044 -22.187 1.00 10.96 C -ATOM 5244 O CYS C 84 80.108 -15.608 -23.309 1.00 11.68 O -ATOM 5245 N THR C 85 78.705 -16.450 -21.804 1.00 12.90 N -ATOM 5246 CA THR C 85 77.568 -16.470 -22.759 1.00 15.54 C -ATOM 5247 CB THR C 85 76.444 -17.395 -22.297 1.00 18.27 C -ATOM 5248 OG1 THR C 85 75.836 -16.816 -21.157 1.00 19.80 O -ATOM 5249 CG2 THR C 85 76.942 -18.787 -21.997 1.00 18.36 C -ATOM 5250 C THR C 85 77.046 -15.054 -23.020 1.00 17.34 C -ATOM 5251 O THR C 85 77.205 -14.161 -22.155 1.00 18.68 O -ATOM 5252 N GLY C 86 76.379 -14.878 -24.165 1.00 19.18 N -ATOM 5253 CA GLY C 86 75.708 -13.626 -24.591 1.00 22.45 C -ATOM 5254 C GLY C 86 76.475 -12.874 -25.685 1.00 22.40 C -ATOM 5255 O GLY C 86 76.037 -11.735 -26.079 1.00 21.69 O -ATOM 5256 N ASP C 87 77.571 -13.450 -26.193 1.00 22.04 N -ATOM 5257 CA ASP C 87 78.543 -12.753 -27.084 1.00 20.29 C -ATOM 5258 CB ASP C 87 79.826 -13.580 -27.265 1.00 20.95 C -ATOM 5259 CG ASP C 87 79.591 -14.959 -27.864 1.00 20.70 C -ATOM 5260 OD1 ASP C 87 78.828 -15.748 -27.246 1.00 23.70 O -ATOM 5261 OD2 ASP C 87 80.158 -15.246 -28.945 1.00 18.94 O -ATOM 5262 C ASP C 87 77.949 -12.450 -28.478 1.00 20.67 C -ATOM 5263 O ASP C 87 78.482 -11.500 -29.137 1.00 21.66 O -ATOM 5264 N GLY C 88 76.952 -13.209 -28.960 1.00 21.45 N -ATOM 5265 CA GLY C 88 76.650 -13.264 -30.407 1.00 25.02 C -ATOM 5266 C GLY C 88 75.211 -12.934 -30.775 1.00 31.52 C -ATOM 5267 O GLY C 88 74.963 -11.827 -31.425 1.00 26.75 O -ATOM 5268 N THR C 89 74.324 -13.912 -30.521 1.00 35.53 N -ATOM 5269 CA THR C 89 72.844 -13.776 -30.516 1.00 37.81 C -ATOM 5270 CB THR C 89 72.301 -13.455 -31.918 1.00 37.70 C -ATOM 5271 C THR C 89 72.235 -15.037 -29.890 1.00 43.24 C -ATOM 5272 O THR C 89 71.837 -15.948 -30.643 1.00 42.92 O -ATOM 5273 N GLY C 90 72.203 -15.090 -28.554 1.00 47.62 N -ATOM 5274 CA GLY C 90 71.351 -16.000 -27.763 1.00 54.05 C -ATOM 5275 C GLY C 90 69.962 -15.404 -27.562 1.00 59.60 C -ATOM 5276 O GLY C 90 69.078 -16.130 -27.046 1.00 62.71 O -ATOM 5277 N LYS C 91 69.788 -14.125 -27.944 1.00 61.10 N -ATOM 5278 CA LYS C 91 68.499 -13.375 -27.983 1.00 59.39 C -ATOM 5279 CB LYS C 91 68.734 -11.879 -27.704 1.00 61.05 C -ATOM 5280 CG LYS C 91 69.048 -10.968 -28.891 1.00 62.22 C -ATOM 5281 CD LYS C 91 69.147 -9.488 -28.542 1.00 60.71 C -ATOM 5282 CE LYS C 91 68.533 -8.586 -29.597 1.00 58.89 C -ATOM 5283 NZ LYS C 91 69.153 -7.240 -29.607 1.00 60.82 N -ATOM 5284 C LYS C 91 67.869 -13.637 -29.354 1.00 59.49 C -ATOM 5285 O LYS C 91 68.117 -14.738 -29.911 1.00 57.06 O -ATOM 5286 N ASN C 92 67.102 -12.676 -29.884 1.00 58.22 N -ATOM 5287 CA ASN C 92 66.838 -12.570 -31.342 1.00 56.12 C -ATOM 5288 CB ASN C 92 68.150 -12.531 -32.141 1.00 56.00 C -ATOM 5289 CG ASN C 92 68.804 -11.167 -32.221 1.00 53.85 C -ATOM 5290 OD1 ASN C 92 68.198 -10.210 -32.702 1.00 54.16 O -ATOM 5291 ND2 ASN C 92 70.058 -11.084 -31.799 1.00 53.92 N -ATOM 5292 C ASN C 92 65.999 -13.784 -31.748 1.00 52.85 C -ATOM 5293 O ASN C 92 66.475 -14.906 -31.439 1.00 43.60 O -ATOM 5294 N GLY C 94 71.610 -12.556 -25.701 1.00 53.12 N -ATOM 5295 CA GLY C 94 72.279 -11.253 -25.913 1.00 50.79 C -ATOM 5296 C GLY C 94 73.322 -11.318 -27.019 1.00 47.19 C -ATOM 5297 O GLY C 94 73.711 -12.449 -27.373 1.00 47.55 O -ATOM 5298 N THR C 94A 73.785 -10.154 -27.507 1.00 42.23 N -ATOM 5299 CA THR C 94A 74.659 -9.986 -28.710 1.00 41.37 C -ATOM 5300 CB THR C 94A 73.813 -9.728 -29.965 1.00 43.98 C -ATOM 5301 OG1 THR C 94A 74.747 -9.577 -31.037 1.00 46.44 O -ATOM 5302 CG2 THR C 94A 72.884 -8.532 -29.853 1.00 43.42 C -ATOM 5303 C THR C 94A 75.690 -8.862 -28.495 1.00 36.49 C -ATOM 5304 O THR C 94A 75.297 -7.672 -28.537 1.00 30.44 O -ATOM 5305 N GLY C 94B 76.972 -9.220 -28.331 1.00 29.98 N -ATOM 5306 CA GLY C 94B 77.989 -8.365 -27.681 1.00 27.28 C -ATOM 5307 C GLY C 94B 77.686 -8.145 -26.200 1.00 24.99 C -ATOM 5308 O GLY C 94B 78.364 -7.275 -25.581 1.00 25.87 O -ATOM 5309 N LYS C 94C 76.742 -8.916 -25.634 1.00 21.19 N -ATOM 5310 CA LYS C 94C 76.195 -8.752 -24.262 1.00 20.18 C -ATOM 5311 CB LYS C 94C 74.673 -8.916 -24.244 1.00 23.69 C -ATOM 5312 CG LYS C 94C 73.875 -7.644 -24.495 1.00 28.00 C -ATOM 5313 CD LYS C 94C 72.371 -7.790 -24.226 1.00 32.28 C -ATOM 5314 CE LYS C 94C 71.545 -8.051 -25.470 1.00 35.46 C -ATOM 5315 NZ LYS C 94C 70.298 -8.787 -25.149 1.00 36.99 N -ATOM 5316 C LYS C 94C 76.828 -9.770 -23.306 1.00 16.96 C -ATOM 5317 O LYS C 94C 76.174 -10.136 -22.293 1.00 18.20 O -ATOM 5318 N ASN C 94D 78.077 -10.171 -23.558 1.00 13.48 N -ATOM 5319 CA ASN C 94D 78.805 -11.039 -22.599 1.00 11.23 C -ATOM 5320 CB ASN C 94D 79.732 -12.033 -23.303 1.00 11.42 C -ATOM 5321 CG ASN C 94D 80.648 -11.403 -24.332 1.00 12.36 C -ATOM 5322 OD1 ASN C 94D 80.256 -10.461 -25.050 1.00 14.18 O -ATOM 5323 ND2 ASN C 94D 81.860 -11.946 -24.431 1.00 11.51 N -ATOM 5324 C ASN C 94D 79.557 -10.139 -21.619 1.00 10.57 C -ATOM 5325 O ASN C 94D 80.785 -10.060 -21.674 1.00 9.98 O -ATOM 5326 N ASP C 94E 78.795 -9.471 -20.776 1.00 9.11 N -ATOM 5327 CA ASP C 94E 79.337 -8.489 -19.808 1.00 9.58 C -ATOM 5328 CB ASP C 94E 78.402 -7.280 -19.750 1.00 10.13 C -ATOM 5329 CG ASP C 94E 77.019 -7.549 -19.195 1.00 10.90 C -ATOM 5330 OD1 ASP C 94E 76.643 -8.704 -19.043 1.00 10.89 O -ATOM 5331 OD2 ASP C 94E 76.337 -6.550 -18.898 1.00 14.33 O -ATOM 5332 C ASP C 94E 79.508 -9.143 -18.429 1.00 8.56 C -ATOM 5333 O ASP C 94E 79.439 -10.357 -18.312 1.00 9.61 O -ATOM 5334 N LEU C 94F 79.768 -8.353 -17.396 1.00 8.76 N -ATOM 5335 CA LEU C 94F 79.975 -8.939 -16.054 1.00 8.07 C -ATOM 5336 CB LEU C 94F 80.275 -7.820 -15.065 1.00 8.82 C -ATOM 5337 CG LEU C 94F 80.436 -8.324 -13.629 1.00 8.88 C -ATOM 5338 CD1 LEU C 94F 81.493 -9.375 -13.514 1.00 9.79 C -ATOM 5339 CD2 LEU C 94F 80.737 -7.180 -12.651 1.00 9.00 C -ATOM 5340 C LEU C 94F 78.729 -9.703 -15.649 1.00 8.36 C -ATOM 5341 O LEU C 94F 78.796 -10.830 -15.160 1.00 9.65 O -ATOM 5342 N GLU C 95 77.579 -9.064 -15.817 1.00 8.85 N -ATOM 5343 CA GLU C 95 76.328 -9.717 -15.361 1.00 9.33 C -ATOM 5344 CB GLU C 95 75.158 -8.755 -15.603 1.00 10.27 C -ATOM 5345 CG GLU C 95 73.798 -9.371 -15.272 1.00 11.84 C -ATOM 5346 CD GLU C 95 72.630 -8.398 -15.266 1.00 13.59 C -ATOM 5347 OE1 GLU C 95 72.883 -7.193 -15.326 1.00 15.97 O -ATOM 5348 OE2 GLU C 95 71.489 -8.848 -15.126 1.00 16.73 O -ATOM 5349 C GLU C 95 76.176 -11.074 -16.078 1.00 9.45 C -ATOM 5350 O GLU C 95 75.760 -12.043 -15.445 1.00 9.98 O -ATOM 5351 N ALA C 96 76.440 -11.153 -17.358 1.00 9.80 N -ATOM 5352 CA ALA C 96 76.345 -12.424 -18.123 1.00 10.67 C -ATOM 5353 CB ALA C 96 76.654 -12.161 -19.579 1.00 10.83 C -ATOM 5354 C ALA C 96 77.291 -13.482 -17.537 1.00 10.16 C -ATOM 5355 O ALA C 96 76.855 -14.610 -17.329 1.00 11.23 O -ATOM 5356 N CYS C 97 78.558 -13.125 -17.284 1.00 10.28 N -ATOM 5357 CA CYS C 97 79.548 -14.062 -16.692 1.00 9.82 C -ATOM 5358 CB CYS C 97 80.897 -13.383 -16.535 1.00 9.85 C -ATOM 5359 SG CYS C 97 81.645 -12.912 -18.121 1.00 10.05 S -ATOM 5360 C CYS C 97 79.032 -14.534 -15.333 1.00 9.92 C -ATOM 5361 O CYS C 97 79.131 -15.726 -15.004 1.00 9.55 O -ATOM 5362 N LEU C 98 78.507 -13.635 -14.526 1.00 9.01 N -ATOM 5363 CA LEU C 98 78.024 -14.009 -13.185 1.00 9.62 C -ATOM 5364 CB LEU C 98 77.592 -12.764 -12.413 1.00 9.34 C -ATOM 5365 CG LEU C 98 78.688 -11.766 -12.086 1.00 9.88 C -ATOM 5366 CD1 LEU C 98 78.077 -10.607 -11.310 1.00 10.35 C -ATOM 5367 CD2 LEU C 98 79.830 -12.413 -11.334 1.00 9.43 C -ATOM 5368 C LEU C 98 76.836 -14.973 -13.344 1.00 9.92 C -ATOM 5369 O LEU C 98 76.703 -15.975 -12.592 1.00 9.52 O -ATOM 5370 N ASN C 99 75.944 -14.680 -14.293 1.00 9.86 N -ATOM 5371 CA ASN C 99 74.796 -15.561 -14.586 1.00 11.68 C -ATOM 5372 CB ASN C 99 73.852 -14.948 -15.630 1.00 13.08 C -ATOM 5373 CG ASN C 99 72.840 -14.079 -14.941 1.00 16.38 C -ATOM 5374 OD1 ASN C 99 72.249 -14.529 -13.973 1.00 16.95 O -ATOM 5375 ND2 ASN C 99 72.649 -12.861 -15.402 1.00 20.43 N -ATOM 5376 C ASN C 99 75.289 -16.946 -14.983 1.00 11.29 C -ATOM 5377 O ASN C 99 74.597 -17.938 -14.681 1.00 11.44 O -ATOM 5378 N ASP C 100 76.394 -17.048 -15.686 1.00 10.61 N -ATOM 5379 CA ASP C 100 76.907 -18.382 -16.092 1.00 10.88 C -ATOM 5380 CB ASP C 100 78.152 -18.253 -16.970 1.00 11.28 C -ATOM 5381 CG ASP C 100 77.832 -17.830 -18.373 1.00 12.35 C -ATOM 5382 OD1 ASP C 100 76.629 -17.797 -18.705 1.00 15.06 O -ATOM 5383 OD2 ASP C 100 78.791 -17.491 -19.090 1.00 13.71 O -ATOM 5384 C ASP C 100 77.208 -19.209 -14.838 1.00 10.77 C -ATOM 5385 O ASP C 100 76.857 -20.391 -14.765 1.00 11.28 O -ATOM 5386 N VAL C 101 77.769 -18.584 -13.829 1.00 9.74 N -ATOM 5387 CA VAL C 101 78.076 -19.260 -12.538 1.00 9.67 C -ATOM 5388 CB VAL C 101 78.991 -18.389 -11.676 1.00 9.76 C -ATOM 5389 CG1 VAL C 101 79.285 -19.050 -10.329 1.00 9.73 C -ATOM 5390 CG2 VAL C 101 80.279 -18.120 -12.442 1.00 10.80 C -ATOM 5391 C VAL C 101 76.768 -19.555 -11.828 1.00 10.20 C -ATOM 5392 O VAL C 101 76.598 -20.675 -11.363 1.00 9.79 O -ATOM 5393 N LYS C 102 75.869 -18.596 -11.764 1.00 10.17 N -ATOM 5394 CA LYS C 102 74.554 -18.790 -11.093 1.00 10.49 C -ATOM 5395 CB LYS C 102 73.726 -17.508 -11.203 1.00 11.87 C -ATOM 5396 CG LYS C 102 72.452 -17.491 -10.376 1.00 13.96 C -ATOM 5397 CD LYS C 102 71.217 -17.273 -11.246 1.00 19.41 C -ATOM 5398 CE LYS C 102 69.908 -17.243 -10.485 1.00 22.08 C -ATOM 5399 NZ LYS C 102 68.986 -18.325 -10.921 1.00 22.88 N -ATOM 5400 C LYS C 102 73.805 -19.982 -11.709 1.00 10.24 C -ATOM 5401 O LYS C 102 73.313 -20.876 -10.992 1.00 11.26 O -ATOM 5402 N ASN C 103 73.769 -20.020 -13.027 1.00 10.64 N -ATOM 5403 CA ASN C 103 73.094 -21.132 -13.753 1.00 11.80 C -ATOM 5404 CB ASN C 103 73.074 -20.855 -15.251 1.00 12.79 C -ATOM 5405 CG ASN C 103 72.161 -19.713 -15.637 1.00 13.48 C -ATOM 5406 OD1 ASN C 103 71.255 -19.383 -14.885 1.00 14.77 O -ATOM 5407 ND2 ASN C 103 72.404 -19.102 -16.789 1.00 17.34 N -ATOM 5408 C ASN C 103 73.782 -22.480 -13.507 1.00 12.68 C -ATOM 5409 O ASN C 103 73.067 -23.514 -13.281 1.00 11.89 O -ATOM 5410 N TRP C 104 75.111 -22.511 -13.479 1.00 11.12 N -ATOM 5411 CA TRP C 104 75.811 -23.782 -13.184 1.00 10.62 C -ATOM 5412 CB TRP C 104 77.338 -23.630 -13.317 1.00 10.78 C -ATOM 5413 CG TRP C 104 78.093 -24.901 -13.091 1.00 10.75 C -ATOM 5414 CD1 TRP C 104 78.537 -25.769 -14.041 1.00 10.93 C -ATOM 5415 NE1 TRP C 104 79.114 -26.863 -13.469 1.00 11.19 N -ATOM 5416 CE2 TRP C 104 79.072 -26.714 -12.118 1.00 11.11 C -ATOM 5417 CD2 TRP C 104 78.428 -25.495 -11.842 1.00 10.90 C -ATOM 5418 CE3 TRP C 104 78.216 -25.138 -10.521 1.00 10.32 C -ATOM 5419 CZ3 TRP C 104 78.702 -25.965 -9.541 1.00 10.60 C -ATOM 5420 CH2 TRP C 104 79.326 -27.173 -9.811 1.00 11.48 C -ATOM 5421 CZ2 TRP C 104 79.520 -27.556 -11.113 1.00 10.34 C -ATOM 5422 C TRP C 104 75.377 -24.203 -11.776 1.00 10.76 C -ATOM 5423 O TRP C 104 75.101 -25.405 -11.545 1.00 11.02 O -ATOM 5424 N SER C 105 75.420 -23.279 -10.805 1.00 11.28 N -ATOM 5425 CA SER C 105 75.001 -23.553 -9.405 1.00 10.13 C -ATOM 5426 CB SER C 105 75.094 -22.298 -8.562 1.00 10.56 C -ATOM 5427 OG SER C 105 74.542 -22.494 -7.270 1.00 10.54 O -ATOM 5428 C SER C 105 73.607 -24.184 -9.401 1.00 11.32 C -ATOM 5429 O SER C 105 73.420 -25.204 -8.692 1.00 12.10 O -ATOM 5430 N ASP C 106 72.670 -23.566 -10.108 1.00 11.78 N -ATOM 5431 CA ASP C 106 71.268 -24.054 -10.133 1.00 12.58 C -ATOM 5432 CB ASP C 106 70.375 -23.167 -11.013 1.00 13.51 C -ATOM 5433 CG ASP C 106 69.957 -21.851 -10.390 1.00 13.84 C -ATOM 5434 OD1 ASP C 106 70.102 -21.699 -9.169 1.00 16.49 O -ATOM 5435 OD2 ASP C 106 69.486 -20.998 -11.147 1.00 16.27 O -ATOM 5436 C ASP C 106 71.249 -25.519 -10.606 1.00 14.06 C -ATOM 5437 O ASP C 106 70.429 -26.332 -10.085 1.00 15.78 O -ATOM 5438 N LYS C 107 72.085 -25.882 -11.557 1.00 12.81 N -ATOM 5439 CA LYS C 107 72.064 -27.240 -12.160 1.00 15.25 C -ATOM 5440 CB LYS C 107 72.579 -27.181 -13.590 1.00 17.34 C -ATOM 5441 CG LYS C 107 71.705 -26.333 -14.495 1.00 20.90 C -ATOM 5442 CD LYS C 107 72.138 -26.346 -15.930 1.00 25.20 C -ATOM 5443 CE LYS C 107 71.373 -25.372 -16.807 1.00 28.70 C -ATOM 5444 NZ LYS C 107 72.210 -24.850 -17.915 1.00 29.42 N -ATOM 5445 C LYS C 107 72.883 -28.237 -11.357 1.00 16.70 C -ATOM 5446 O LYS C 107 72.787 -29.454 -11.629 1.00 16.56 O -ATOM 5447 N HIS C 108 73.620 -27.776 -10.353 1.00 14.57 N -ATOM 5448 CA HIS C 108 74.409 -28.674 -9.485 1.00 15.08 C -ATOM 5449 CB HIS C 108 75.904 -28.532 -9.775 1.00 14.38 C -ATOM 5450 CG HIS C 108 76.239 -28.830 -11.199 1.00 13.99 C -ATOM 5451 ND1 HIS C 108 75.986 -27.936 -12.219 1.00 13.59 N -ATOM 5452 CE1 HIS C 108 76.362 -28.451 -13.377 1.00 15.31 C -ATOM 5453 NE2 HIS C 108 76.718 -29.707 -13.151 1.00 15.36 N -ATOM 5454 CD2 HIS C 108 76.668 -29.959 -11.807 1.00 14.54 C -ATOM 5455 C HIS C 108 74.067 -28.431 -8.024 1.00 15.81 C -ATOM 5456 O HIS C 108 74.901 -28.004 -7.220 1.00 14.46 O -ATOM 5457 N PRO C 109 72.838 -28.757 -7.572 1.00 15.86 N -ATOM 5458 CA PRO C 109 72.522 -28.548 -6.164 1.00 15.36 C -ATOM 5459 CB PRO C 109 71.026 -28.854 -6.052 1.00 17.03 C -ATOM 5460 CG PRO C 109 70.695 -29.682 -7.275 1.00 17.70 C -ATOM 5461 CD PRO C 109 71.745 -29.401 -8.332 1.00 16.36 C -ATOM 5462 C PRO C 109 73.483 -29.412 -5.320 1.00 14.81 C -ATOM 5463 O PRO C 109 73.934 -30.467 -5.768 1.00 15.90 O -ATOM 5464 N GLY C 110 73.852 -28.920 -4.152 1.00 14.42 N -ATOM 5465 CA GLY C 110 74.812 -29.625 -3.287 1.00 12.41 C -ATOM 5466 C GLY C 110 76.268 -29.426 -3.704 1.00 11.87 C -ATOM 5467 O GLY C 110 77.140 -30.098 -3.180 1.00 12.18 O -ATOM 5468 N HIS C 111 76.542 -28.406 -4.508 1.00 9.99 N -ATOM 5469 CA HIS C 111 77.922 -28.189 -5.001 1.00 9.29 C -ATOM 5470 CB HIS C 111 77.936 -27.313 -6.246 1.00 9.73 C -ATOM 5471 CG HIS C 111 77.472 -25.905 -6.070 1.00 9.20 C -ATOM 5472 ND1 HIS C 111 78.205 -24.894 -5.424 1.00 9.13 N -ATOM 5473 CE1 HIS C 111 77.503 -23.773 -5.443 1.00 9.25 C -ATOM 5474 NE2 HIS C 111 76.368 -23.976 -6.092 1.00 9.80 N -ATOM 5475 CD2 HIS C 111 76.347 -25.293 -6.477 1.00 9.68 C -ATOM 5476 C HIS C 111 78.803 -27.686 -3.861 1.00 8.41 C -ATOM 5477 O HIS C 111 78.351 -26.932 -2.959 1.00 9.80 O -ATOM 5478 N PHE C 112 80.059 -28.075 -3.918 1.00 8.46 N -ATOM 5479 CA PHE C 112 81.106 -27.439 -3.102 1.00 8.63 C -ATOM 5480 CB PHE C 112 82.438 -28.030 -3.545 1.00 9.13 C -ATOM 5481 C PHE C 112 81.041 -25.930 -3.345 1.00 9.08 C -ATOM 5482 O PHE C 112 80.783 -25.497 -4.452 1.00 8.89 O -ATOM 5483 N PRO C 113 81.260 -25.101 -2.313 1.00 8.24 N -ATOM 5484 CA PRO C 113 81.131 -23.657 -2.482 1.00 7.80 C -ATOM 5485 CB PRO C 113 81.520 -23.074 -1.108 1.00 8.08 C -ATOM 5486 CG PRO C 113 82.318 -24.183 -0.483 1.00 7.86 C -ATOM 5487 CD PRO C 113 81.634 -25.454 -0.941 1.00 7.73 C -ATOM 5488 C PRO C 113 82.040 -23.102 -3.576 1.00 7.99 C -ATOM 5489 O PRO C 113 83.157 -23.522 -3.702 1.00 7.36 O -ATOM 5490 N ILE C 114 81.484 -22.239 -4.408 1.00 7.15 N -ATOM 5491 CA ILE C 114 82.228 -21.580 -5.495 1.00 7.13 C -ATOM 5492 CB ILE C 114 81.289 -21.374 -6.687 1.00 8.10 C -ATOM 5493 CG1 ILE C 114 80.787 -22.710 -7.244 1.00 8.53 C -ATOM 5494 CG2 ILE C 114 81.978 -20.552 -7.767 1.00 8.38 C -ATOM 5495 CD1 ILE C 114 79.594 -22.555 -8.197 1.00 9.80 C -ATOM 5496 C ILE C 114 82.751 -20.250 -4.984 1.00 7.18 C -ATOM 5497 O ILE C 114 81.993 -19.475 -4.403 1.00 8.66 O -ATOM 5498 N THR C 115 84.009 -20.000 -5.271 1.00 6.61 N -ATOM 5499 CA THR C 115 84.624 -18.719 -4.947 1.00 6.78 C -ATOM 5500 CB THR C 115 85.892 -18.916 -4.121 1.00 6.84 C -ATOM 5501 OG1 THR C 115 85.547 -19.582 -2.911 1.00 7.71 O -ATOM 5502 CG2 THR C 115 86.512 -17.607 -3.711 1.00 7.96 C -ATOM 5503 C THR C 115 84.913 -18.015 -6.271 1.00 6.53 C -ATOM 5504 O THR C 115 85.541 -18.580 -7.163 1.00 7.38 O -ATOM 5505 N LEU C 116 84.470 -16.782 -6.387 1.00 6.43 N -ATOM 5506 CA LEU C 116 84.673 -15.971 -7.602 1.00 7.01 C -ATOM 5507 CB LEU C 116 83.362 -15.424 -8.167 1.00 9.18 C -ATOM 5508 CG LEU C 116 82.350 -16.401 -8.712 1.00 11.20 C -ATOM 5509 CD1 LEU C 116 81.213 -15.643 -9.394 1.00 12.36 C -ATOM 5510 CD2 LEU C 116 82.996 -17.381 -9.655 1.00 12.77 C -ATOM 5511 C LEU C 116 85.535 -14.782 -7.235 1.00 6.98 C -ATOM 5512 O LEU C 116 85.122 -13.910 -6.447 1.00 7.63 O -ATOM 5513 N ILE C 117 86.692 -14.697 -7.847 1.00 6.29 N -ATOM 5514 CA ILE C 117 87.608 -13.545 -7.686 1.00 7.50 C -ATOM 5515 CB ILE C 117 89.064 -14.020 -7.904 1.00 8.50 C -ATOM 5516 CG1 ILE C 117 89.442 -15.240 -7.054 1.00 10.33 C -ATOM 5517 CG2 ILE C 117 90.121 -12.937 -7.797 1.00 9.86 C -ATOM 5518 CD1 ILE C 117 89.263 -15.141 -5.584 1.00 10.35 C -ATOM 5519 C ILE C 117 87.195 -12.495 -8.715 1.00 7.05 C -ATOM 5520 O ILE C 117 87.198 -12.790 -9.940 1.00 9.93 O -ATOM 5521 N LEU C 118 86.811 -11.342 -8.240 1.00 6.70 N -ATOM 5522 CA LEU C 118 86.362 -10.200 -9.088 1.00 6.60 C -ATOM 5523 CB LEU C 118 85.028 -9.696 -8.566 1.00 7.82 C -ATOM 5524 CG LEU C 118 83.943 -10.760 -8.433 1.00 8.12 C -ATOM 5525 CD1 LEU C 118 82.690 -10.140 -7.862 1.00 8.97 C -ATOM 5526 CD2 LEU C 118 83.651 -11.400 -9.777 1.00 9.49 C -ATOM 5527 C LEU C 118 87.480 -9.153 -9.025 1.00 6.69 C -ATOM 5528 O LEU C 118 87.647 -8.444 -8.022 1.00 6.86 O -ATOM 5529 N ASP C 119 88.285 -9.176 -10.058 1.00 6.72 N -ATOM 5530 CA ASP C 119 89.494 -8.349 -10.161 1.00 6.92 C -ATOM 5531 CB ASP C 119 90.572 -9.158 -10.863 1.00 8.01 C -ATOM 5532 CG ASP C 119 91.963 -8.541 -10.789 1.00 9.59 C -ATOM 5533 OD1 ASP C 119 92.101 -7.529 -10.037 1.00 11.60 O -ATOM 5534 OD2 ASP C 119 92.907 -9.057 -11.493 1.00 11.58 O -ATOM 5535 C ASP C 119 89.131 -7.048 -10.884 1.00 6.73 C -ATOM 5536 O ASP C 119 88.980 -7.000 -12.114 1.00 6.80 O -ATOM 5537 N LYS C 120 88.921 -6.059 -10.062 1.00 6.38 N -ATOM 5538 CA LYS C 120 88.439 -4.740 -10.494 1.00 7.19 C -ATOM 5539 CB LYS C 120 87.847 -3.943 -9.353 1.00 7.02 C -ATOM 5540 CG LYS C 120 87.136 -2.693 -9.825 1.00 7.54 C -ATOM 5541 CD LYS C 120 86.487 -1.945 -8.668 1.00 7.89 C -ATOM 5542 CE LYS C 120 85.277 -1.110 -9.056 1.00 9.18 C -ATOM 5543 NZ LYS C 120 85.448 -0.349 -10.302 1.00 7.45 N -ATOM 5544 C LYS C 120 89.580 -3.972 -11.164 1.00 6.89 C -ATOM 5545 O LYS C 120 90.656 -3.853 -10.595 1.00 7.41 O -ATOM 5546 N LYS C 121 89.326 -3.415 -12.353 1.00 7.42 N -ATOM 5547 CA LYS C 121 90.412 -2.782 -13.152 1.00 8.27 C -ATOM 5548 CB LYS C 121 90.390 -3.368 -14.556 1.00 9.13 C -ATOM 5549 CG LYS C 121 90.798 -4.825 -14.620 1.00 10.36 C -ATOM 5550 CD LYS C 121 92.142 -5.170 -14.024 1.00 11.08 C -ATOM 5551 CE LYS C 121 92.458 -6.648 -14.209 1.00 12.67 C -ATOM 5552 NZ LYS C 121 93.768 -7.030 -13.642 1.00 14.13 N -ATOM 5553 C LYS C 121 90.394 -1.243 -13.140 1.00 8.47 C -ATOM 5554 O LYS C 121 91.423 -0.660 -13.566 1.00 9.40 O -ATOM 5555 N GLN C 122 89.300 -0.610 -12.753 1.00 8.27 N -ATOM 5556 CA GLN C 122 89.166 0.860 -12.716 1.00 9.01 C -ATOM 5557 CB GLN C 122 88.287 1.365 -13.864 1.00 8.98 C -ATOM 5558 CG GLN C 122 88.944 1.187 -15.215 1.00 9.51 C -ATOM 5559 CD GLN C 122 88.068 1.532 -16.386 1.00 10.45 C -ATOM 5560 OE1 GLN C 122 86.959 1.047 -16.566 1.00 10.04 O -ATOM 5561 NE2 GLN C 122 88.572 2.418 -17.230 1.00 15.50 N -ATOM 5562 C GLN C 122 88.671 1.252 -11.332 1.00 8.64 C -ATOM 5563 O GLN C 122 88.420 0.390 -10.481 1.00 10.05 O -ATOM 5564 N GLY C 123 88.539 2.544 -11.094 1.00 8.75 N -ATOM 5565 CA GLY C 123 88.027 3.078 -9.830 1.00 8.66 C -ATOM 5566 C GLY C 123 86.517 2.946 -9.691 1.00 8.16 C -ATOM 5567 O GLY C 123 85.812 2.525 -10.608 1.00 9.03 O -ATOM 5568 N TRP C 124 86.009 3.275 -8.517 1.00 8.62 N -ATOM 5569 CA TRP C 124 84.556 3.390 -8.316 1.00 7.98 C -ATOM 5570 CB TRP C 124 84.222 3.423 -6.827 1.00 8.14 C -ATOM 5571 CG TRP C 124 84.639 2.145 -6.159 1.00 7.78 C -ATOM 5572 CD1 TRP C 124 85.679 1.932 -5.299 1.00 7.94 C -ATOM 5573 NE1 TRP C 124 85.749 0.604 -4.933 1.00 7.81 N -ATOM 5574 CE2 TRP C 124 84.725 -0.067 -5.537 1.00 7.47 C -ATOM 5575 CD2 TRP C 124 84.004 0.874 -6.307 1.00 7.68 C -ATOM 5576 CE3 TRP C 124 82.869 0.455 -7.013 1.00 8.17 C -ATOM 5577 CZ3 TRP C 124 82.539 -0.885 -6.953 1.00 7.90 C -ATOM 5578 CH2 TRP C 124 83.272 -1.792 -6.201 1.00 8.17 C -ATOM 5579 CZ2 TRP C 124 84.374 -1.408 -5.483 1.00 7.74 C -ATOM 5580 C TRP C 124 84.023 4.659 -8.984 1.00 8.45 C -ATOM 5581 O TRP C 124 84.728 5.671 -9.002 1.00 9.61 O -ATOM 5582 N SER C 125 82.791 4.616 -9.456 1.00 9.27 N -ATOM 5583 CA SER C 125 82.105 5.858 -9.913 1.00 9.72 C -ATOM 5584 CB SER C 125 81.076 5.622 -10.965 1.00 9.33 C -ATOM 5585 OG SER C 125 79.807 5.235 -10.444 1.00 9.92 O -ATOM 5586 C SER C 125 81.451 6.541 -8.724 1.00 10.89 C -ATOM 5587 O SER C 125 81.342 5.949 -7.654 1.00 11.28 O -ATOM 5588 N LYS C 126 80.990 7.778 -8.934 1.00 12.05 N -ATOM 5589 CA LYS C 126 80.043 8.451 -8.008 1.00 13.84 C -ATOM 5590 CB LYS C 126 80.231 9.960 -8.096 1.00 15.35 C -ATOM 5591 CG LYS C 126 81.619 10.401 -7.666 1.00 18.64 C -ATOM 5592 CD LYS C 126 81.816 11.904 -7.749 1.00 20.88 C -ATOM 5593 CE LYS C 126 80.824 12.722 -6.950 1.00 21.96 C -ATOM 5594 NZ LYS C 126 80.983 14.168 -7.221 1.00 22.80 N -ATOM 5595 C LYS C 126 78.605 8.043 -8.326 1.00 13.08 C -ATOM 5596 O LYS C 126 78.357 7.304 -9.264 1.00 11.46 O -ATOM 5597 N GLU C 127 77.636 8.447 -7.504 1.00 14.43 N -ATOM 5598 CA GLU C 127 76.262 7.882 -7.553 1.00 14.44 C -ATOM 5599 CB GLU C 127 75.362 8.456 -6.450 1.00 18.68 C -ATOM 5600 CG GLU C 127 75.606 7.861 -5.073 1.00 23.84 C -ATOM 5601 CD GLU C 127 76.951 8.106 -4.386 1.00 27.69 C -ATOM 5602 OE1 GLU C 127 77.823 8.849 -4.936 1.00 30.80 O -ATOM 5603 OE2 GLU C 127 77.145 7.521 -3.290 1.00 31.49 O -ATOM 5604 C GLU C 127 75.678 8.127 -8.950 1.00 11.82 C -ATOM 5605 O GLU C 127 74.979 7.293 -9.480 1.00 11.76 O -ATOM 5606 N SER C 128 75.956 9.320 -9.501 1.00 14.02 N -ATOM 5607 CA SER C 128 75.306 9.745 -10.767 1.00 14.68 C -ATOM 5608 CB SER C 128 75.620 11.173 -11.172 1.00 15.63 C -ATOM 5609 OG SER C 128 77.006 11.430 -11.145 1.00 20.42 O -ATOM 5610 C SER C 128 75.622 8.771 -11.904 1.00 12.75 C -ATOM 5611 O SER C 128 74.775 8.607 -12.764 1.00 16.34 O -ATOM 5612 N SER C 129 76.786 8.116 -11.908 1.00 10.80 N -ATOM 5613 CA SER C 129 77.196 7.198 -13.010 1.00 10.49 C -ATOM 5614 CB SER C 129 78.647 7.280 -13.310 1.00 10.55 C -ATOM 5615 OG SER C 129 79.011 8.548 -13.887 1.00 11.59 O -ATOM 5616 C SER C 129 76.760 5.741 -12.740 1.00 10.13 C -ATOM 5617 O SER C 129 76.876 4.922 -13.674 1.00 12.02 O -ATOM 5618 N GLY C 130 76.254 5.417 -11.531 1.00 10.33 N -ATOM 5619 CA GLY C 130 75.590 4.126 -11.307 1.00 9.16 C -ATOM 5620 C GLY C 130 76.565 2.966 -11.162 1.00 8.68 C -ATOM 5621 O GLY C 130 76.144 1.825 -11.353 1.00 9.08 O -ATOM 5622 N ARG C 131 77.806 3.220 -10.777 1.00 8.13 N -ATOM 5623 CA ARG C 131 78.805 2.132 -10.552 1.00 8.38 C -ATOM 5624 CB ARG C 131 79.761 2.019 -11.736 1.00 8.28 C -ATOM 5625 CG ARG C 131 79.075 1.603 -13.026 1.00 8.34 C -ATOM 5626 CD ARG C 131 80.015 1.356 -14.165 1.00 8.76 C -ATOM 5627 NE ARG C 131 80.784 2.571 -14.427 1.00 8.26 N -ATOM 5628 CZ ARG C 131 80.447 3.587 -15.233 1.00 9.55 C -ATOM 5629 NH1 ARG C 131 79.332 3.533 -15.939 1.00 9.63 N -ATOM 5630 NH2 ARG C 131 81.203 4.672 -15.314 1.00 10.08 N -ATOM 5631 C ARG C 131 79.547 2.389 -9.246 1.00 7.53 C -ATOM 5632 O ARG C 131 80.797 2.262 -9.196 1.00 7.95 O -ATOM 5633 N THR C 132 78.796 2.691 -8.203 1.00 7.65 N -ATOM 5634 CA THR C 132 79.340 2.786 -6.849 1.00 7.38 C -ATOM 5635 CB THR C 132 78.404 3.625 -5.986 1.00 8.48 C -ATOM 5636 OG1 THR C 132 77.210 2.882 -5.755 1.00 9.58 O -ATOM 5637 CG2 THR C 132 78.118 4.986 -6.579 1.00 8.30 C -ATOM 5638 C THR C 132 79.431 1.409 -6.203 1.00 7.50 C -ATOM 5639 O THR C 132 78.905 0.416 -6.718 1.00 7.68 O -ATOM 5640 N PRO C 133 80.135 1.298 -5.042 1.00 7.83 N -ATOM 5641 CA PRO C 133 80.102 0.053 -4.253 1.00 7.71 C -ATOM 5642 CB PRO C 133 80.756 0.455 -2.923 1.00 7.64 C -ATOM 5643 CG PRO C 133 81.789 1.465 -3.365 1.00 8.11 C -ATOM 5644 CD PRO C 133 81.053 2.281 -4.427 1.00 7.91 C -ATOM 5645 C PRO C 133 78.675 -0.474 -4.046 1.00 8.18 C -ATOM 5646 O PRO C 133 78.447 -1.649 -4.135 1.00 7.50 O -ATOM 5647 N LYS C 134 77.722 0.401 -3.731 1.00 8.38 N -ATOM 5648 CA LYS C 134 76.301 0.010 -3.532 1.00 9.47 C -ATOM 5649 CB LYS C 134 75.458 1.178 -3.054 1.00 11.24 C -ATOM 5650 CG LYS C 134 73.967 0.869 -2.964 1.00 12.13 C -ATOM 5651 CD LYS C 134 73.590 -0.346 -2.089 1.00 15.63 C -ATOM 5652 CE LYS C 134 72.085 -0.426 -1.817 1.00 17.08 C -ATOM 5653 NZ LYS C 134 71.587 -1.749 -1.360 1.00 18.84 N -ATOM 5654 C LYS C 134 75.743 -0.566 -4.832 1.00 8.26 C -ATOM 5655 O LYS C 134 75.076 -1.603 -4.789 1.00 8.14 O -ATOM 5656 N ASP C 135 75.986 0.060 -5.973 1.00 8.00 N -ATOM 5657 CA ASP C 135 75.497 -0.472 -7.249 1.00 8.88 C -ATOM 5658 CB ASP C 135 75.824 0.457 -8.406 1.00 8.94 C -ATOM 5659 CG ASP C 135 75.130 1.799 -8.288 1.00 9.42 C -ATOM 5660 OD1 ASP C 135 73.880 1.816 -8.232 1.00 12.37 O -ATOM 5661 OD2 ASP C 135 75.827 2.831 -8.203 1.00 10.41 O -ATOM 5662 C ASP C 135 76.089 -1.852 -7.484 1.00 7.73 C -ATOM 5663 O ASP C 135 75.439 -2.712 -8.056 1.00 8.56 O -ATOM 5664 N PHE C 136 77.361 -2.025 -7.148 1.00 7.62 N -ATOM 5665 CA PHE C 136 78.027 -3.340 -7.348 1.00 7.76 C -ATOM 5666 CB PHE C 136 79.517 -3.157 -7.070 1.00 9.03 C -ATOM 5667 CG PHE C 136 80.380 -4.344 -7.396 1.00 9.35 C -ATOM 5668 CD1 PHE C 136 80.575 -4.687 -8.726 1.00 10.29 C -ATOM 5669 CE1 PHE C 136 81.375 -5.750 -9.078 1.00 12.10 C -ATOM 5670 CZ PHE C 136 82.036 -6.469 -8.115 1.00 12.73 C -ATOM 5671 CD2 PHE C 136 81.028 -5.095 -6.416 1.00 11.76 C -ATOM 5672 CE2 PHE C 136 81.822 -6.197 -6.789 1.00 12.27 C -ATOM 5673 C PHE C 136 77.370 -4.413 -6.476 1.00 7.93 C -ATOM 5674 O PHE C 136 77.065 -5.487 -6.963 1.00 8.25 O -ATOM 5675 N ASP C 137 77.184 -4.093 -5.206 1.00 7.98 N -ATOM 5676 CA ASP C 137 76.492 -5.038 -4.309 1.00 8.61 C -ATOM 5677 CB ASP C 137 76.373 -4.462 -2.908 1.00 7.94 C -ATOM 5678 C ASP C 137 75.084 -5.348 -4.829 1.00 8.94 C -ATOM 5679 O ASP C 137 74.652 -6.520 -4.760 1.00 9.18 O -ATOM 5680 N GLU C 138 74.374 -4.347 -5.368 1.00 8.61 N -ATOM 5681 CA GLU C 138 73.006 -4.562 -5.909 1.00 9.36 C -ATOM 5682 CB GLU C 138 72.332 -3.237 -6.217 1.00 10.11 C -ATOM 5683 CG GLU C 138 71.897 -2.582 -4.926 1.00 12.39 C -ATOM 5684 CD GLU C 138 71.199 -1.245 -5.071 1.00 15.96 C -ATOM 5685 OE1 GLU C 138 71.230 -0.690 -6.147 1.00 18.85 O -ATOM 5686 OE2 GLU C 138 70.605 -0.777 -4.085 1.00 23.37 O -ATOM 5687 C GLU C 138 73.067 -5.533 -7.064 1.00 9.23 C -ATOM 5688 O GLU C 138 72.172 -6.400 -7.145 1.00 10.57 O -ATOM 5689 N LEU C 139 74.058 -5.389 -7.951 1.00 9.65 N -ATOM 5690 CA LEU C 139 74.170 -6.303 -9.104 1.00 9.90 C -ATOM 5691 CB LEU C 139 75.288 -5.861 -10.051 1.00 10.55 C -ATOM 5692 CG LEU C 139 75.685 -6.906 -11.088 1.00 11.64 C -ATOM 5693 CD1 LEU C 139 74.556 -7.251 -12.033 1.00 12.95 C -ATOM 5694 CD2 LEU C 139 76.944 -6.527 -11.839 1.00 12.67 C -ATOM 5695 C LEU C 139 74.410 -7.713 -8.593 1.00 9.00 C -ATOM 5696 O LEU C 139 73.709 -8.623 -9.011 1.00 9.85 O -ATOM 5697 N VAL C 140 75.407 -7.925 -7.731 1.00 8.46 N -ATOM 5698 CA VAL C 140 75.793 -9.316 -7.380 1.00 9.10 C -ATOM 5699 CB VAL C 140 77.174 -9.425 -6.696 1.00 9.08 C -ATOM 5700 CG1 VAL C 140 78.253 -8.816 -7.575 1.00 9.59 C -ATOM 5701 CG2 VAL C 140 77.186 -8.819 -5.314 1.00 9.29 C -ATOM 5702 C VAL C 140 74.634 -9.949 -6.607 1.00 9.20 C -ATOM 5703 O VAL C 140 74.380 -11.164 -6.752 1.00 10.01 O -ATOM 5704 N ALA C 141 73.964 -9.177 -5.776 1.00 9.91 N -ATOM 5705 CA ALA C 141 72.784 -9.686 -5.030 1.00 11.17 C -ATOM 5706 CB ALA C 141 72.323 -8.682 -4.024 1.00 11.94 C -ATOM 5707 C ALA C 141 71.649 -10.032 -6.000 1.00 12.23 C -ATOM 5708 O ALA C 141 71.001 -11.055 -5.814 1.00 13.26 O -ATOM 5709 N ARG C 142 71.424 -9.220 -7.030 1.00 12.00 N -ATOM 5710 CA ARG C 142 70.331 -9.456 -8.025 1.00 12.82 C -ATOM 5711 CB ARG C 142 70.203 -8.289 -9.006 1.00 14.72 C -ATOM 5712 CG ARG C 142 69.051 -8.411 -10.000 1.00 16.59 C -ATOM 5713 CD ARG C 142 68.794 -7.082 -10.688 1.00 17.85 C -ATOM 5714 NE ARG C 142 69.996 -6.556 -11.308 1.00 19.30 N -ATOM 5715 CZ ARG C 142 70.507 -6.963 -12.463 1.00 20.86 C -ATOM 5716 NH1 ARG C 142 69.953 -7.938 -13.164 1.00 21.17 N -ATOM 5717 NH2 ARG C 142 71.603 -6.400 -12.915 1.00 22.45 N -ATOM 5718 C ARG C 142 70.618 -10.740 -8.804 1.00 12.36 C -ATOM 5719 O ARG C 142 69.675 -11.514 -9.088 1.00 13.86 O -ATOM 5720 N VAL C 143 71.884 -11.048 -9.092 1.00 10.22 N -ATOM 5721 CA VAL C 143 72.211 -12.279 -9.856 1.00 10.74 C -ATOM 5722 CB VAL C 143 73.606 -12.173 -10.493 1.00 11.72 C -ATOM 5723 CG1 VAL C 143 74.091 -13.509 -11.039 1.00 11.54 C -ATOM 5724 CG2 VAL C 143 73.632 -11.112 -11.581 1.00 11.57 C -ATOM 5725 C VAL C 143 72.097 -13.466 -8.897 1.00 10.89 C -ATOM 5726 O VAL C 143 71.425 -14.463 -9.229 1.00 11.59 O -ATOM 5727 N PHE C 144 72.790 -13.445 -7.770 1.00 10.60 N -ATOM 5728 CA PHE C 144 73.024 -14.667 -6.962 1.00 11.55 C -ATOM 5729 CB PHE C 144 74.402 -14.631 -6.319 1.00 10.18 C -ATOM 5730 CG PHE C 144 75.503 -14.799 -7.329 1.00 8.93 C -ATOM 5731 CD1 PHE C 144 75.679 -16.019 -7.945 1.00 9.76 C -ATOM 5732 CE1 PHE C 144 76.701 -16.196 -8.840 1.00 9.49 C -ATOM 5733 CZ PHE C 144 77.510 -15.148 -9.185 1.00 9.92 C -ATOM 5734 CD2 PHE C 144 76.365 -13.743 -7.634 1.00 9.23 C -ATOM 5735 CE2 PHE C 144 77.336 -13.921 -8.598 1.00 9.49 C -ATOM 5736 C PHE C 144 71.965 -14.880 -5.880 1.00 12.68 C -ATOM 5737 O PHE C 144 71.820 -16.011 -5.402 1.00 12.94 O -ATOM 5738 N GLN C 145 71.251 -13.807 -5.529 1.00 15.36 N -ATOM 5739 CA GLN C 145 70.069 -13.802 -4.620 1.00 20.43 C -ATOM 5740 CB GLN C 145 68.774 -13.486 -5.374 1.00 26.11 C -ATOM 5741 CG GLN C 145 68.750 -14.015 -6.797 1.00 28.96 C -ATOM 5742 CD GLN C 145 67.356 -14.171 -7.347 1.00 33.92 C -ATOM 5743 OE1 GLN C 145 66.459 -13.373 -7.074 1.00 36.22 O -ATOM 5744 NE2 GLN C 145 67.176 -15.218 -8.139 1.00 38.57 N -ATOM 5745 C GLN C 145 69.907 -15.142 -3.903 1.00 24.27 C -ATOM 5746 O GLN C 145 69.360 -16.093 -4.500 1.00 28.85 O -ATOM 5747 N GLY C 146 70.338 -15.162 -2.651 1.00 20.02 N -ATOM 5748 CA GLY C 146 70.273 -16.273 -1.698 1.00 15.44 C -ATOM 5749 C GLY C 146 71.545 -17.077 -1.685 1.00 13.08 C -ATOM 5750 O GLY C 146 71.838 -17.654 -0.669 1.00 12.02 O -ATOM 5751 N LYS C 147 72.209 -17.245 -2.827 1.00 10.47 N -ATOM 5752 CA LYS C 147 73.355 -18.172 -2.864 1.00 9.28 C -ATOM 5753 CB LYS C 147 73.756 -18.463 -4.307 1.00 9.07 C -ATOM 5754 CG LYS C 147 72.757 -19.293 -5.100 1.00 9.88 C -ATOM 5755 CD LYS C 147 73.173 -19.412 -6.542 1.00 11.05 C -ATOM 5756 CE LYS C 147 72.116 -20.058 -7.399 1.00 11.32 C -ATOM 5757 NZ LYS C 147 71.931 -21.488 -7.048 1.00 11.61 N -ATOM 5758 C LYS C 147 74.567 -17.593 -2.129 1.00 8.19 C -ATOM 5759 O LYS C 147 75.458 -18.345 -1.797 1.00 8.66 O -ATOM 5760 N LEU C 148 74.636 -16.295 -1.903 1.00 7.88 N -ATOM 5761 CA LEU C 148 75.872 -15.674 -1.367 1.00 7.53 C -ATOM 5762 CB LEU C 148 75.810 -14.165 -1.499 1.00 7.48 C -ATOM 5763 CG LEU C 148 75.781 -13.662 -2.933 1.00 8.67 C -ATOM 5764 CD1 LEU C 148 75.838 -12.145 -2.946 1.00 9.45 C -ATOM 5765 CD2 LEU C 148 76.937 -14.246 -3.765 1.00 9.00 C -ATOM 5766 C LEU C 148 76.090 -16.056 0.081 1.00 7.58 C -ATOM 5767 O LEU C 148 75.137 -16.145 0.909 1.00 8.42 O -ATOM 5768 N PHE C 149 77.362 -16.210 0.397 1.00 7.06 N -ATOM 5769 CA PHE C 149 77.899 -16.242 1.763 1.00 7.05 C -ATOM 5770 CB PHE C 149 78.669 -17.539 2.009 1.00 7.46 C -ATOM 5771 CG PHE C 149 79.283 -17.634 3.384 1.00 7.47 C -ATOM 5772 CD1 PHE C 149 78.544 -18.031 4.477 1.00 7.67 C -ATOM 5773 CE1 PHE C 149 79.135 -18.113 5.717 1.00 8.13 C -ATOM 5774 CZ PHE C 149 80.469 -17.842 5.881 1.00 7.85 C -ATOM 5775 CD2 PHE C 149 80.638 -17.399 3.545 1.00 7.22 C -ATOM 5776 CE2 PHE C 149 81.226 -17.487 4.789 1.00 7.44 C -ATOM 5777 C PHE C 149 78.796 -15.016 1.880 1.00 6.44 C -ATOM 5778 O PHE C 149 79.753 -14.903 1.066 1.00 6.90 O -ATOM 5779 N THR C 150 78.537 -14.141 2.836 1.00 6.82 N -ATOM 5780 CA THR C 150 79.163 -12.808 2.874 1.00 6.87 C -ATOM 5781 CB THR C 150 78.094 -11.715 2.876 1.00 7.24 C -ATOM 5782 OG1 THR C 150 77.407 -11.780 4.123 1.00 8.06 O -ATOM 5783 CG2 THR C 150 77.112 -11.853 1.735 1.00 8.21 C -ATOM 5784 C THR C 150 79.965 -12.630 4.136 1.00 6.49 C -ATOM 5785 O THR C 150 79.935 -13.439 5.066 1.00 7.13 O -ATOM 5786 N PRO C 151 80.770 -11.548 4.235 1.00 6.77 N -ATOM 5787 CA PRO C 151 81.550 -11.313 5.442 1.00 6.71 C -ATOM 5788 CB PRO C 151 82.220 -9.953 5.138 1.00 7.35 C -ATOM 5789 CG PRO C 151 82.409 -9.949 3.655 1.00 6.56 C -ATOM 5790 CD PRO C 151 81.131 -10.601 3.147 1.00 6.64 C -ATOM 5791 C PRO C 151 80.717 -11.289 6.730 1.00 6.48 C -ATOM 5792 O PRO C 151 81.138 -11.816 7.736 1.00 6.41 O -ATOM 5793 N GLN C 152 79.529 -10.685 6.710 1.00 6.95 N -ATOM 5794 CA GLN C 152 78.696 -10.688 7.926 1.00 7.48 C -ATOM 5795 CB GLN C 152 77.455 -9.816 7.698 1.00 8.15 C -ATOM 5796 CG GLN C 152 76.500 -9.800 8.889 1.00 8.93 C -ATOM 5797 CD GLN C 152 77.101 -9.255 10.155 1.00 9.47 C -ATOM 5798 OE1 GLN C 152 77.282 -8.033 10.290 1.00 10.63 O -ATOM 5799 NE2 GLN C 152 77.365 -10.110 11.123 1.00 9.55 N -ATOM 5800 C GLN C 152 78.295 -12.125 8.289 1.00 6.98 C -ATOM 5801 O GLN C 152 78.177 -12.469 9.459 1.00 7.15 O -ATOM 5802 N ASP C 153 78.044 -12.974 7.310 1.00 7.23 N -ATOM 5803 CA ASP C 153 77.698 -14.375 7.596 1.00 7.06 C -ATOM 5804 CB ASP C 153 77.349 -15.088 6.295 1.00 7.24 C -ATOM 5805 CG ASP C 153 76.154 -14.515 5.555 1.00 7.67 C -ATOM 5806 OD1 ASP C 153 75.223 -13.989 6.252 1.00 9.06 O -ATOM 5807 OD2 ASP C 153 76.158 -14.585 4.323 1.00 9.12 O -ATOM 5808 C ASP C 153 78.862 -15.045 8.322 1.00 7.16 C -ATOM 5809 O ASP C 153 78.671 -15.793 9.299 1.00 8.05 O -ATOM 5810 N LEU C 154 80.090 -14.806 7.867 1.00 6.89 N -ATOM 5811 CA LEU C 154 81.276 -15.337 8.564 1.00 6.93 C -ATOM 5812 CB LEU C 154 82.515 -15.057 7.726 1.00 6.82 C -ATOM 5813 CG LEU C 154 83.826 -15.532 8.367 1.00 7.00 C -ATOM 5814 CD1 LEU C 154 83.818 -17.041 8.569 1.00 7.27 C -ATOM 5815 CD2 LEU C 154 84.983 -15.135 7.464 1.00 6.96 C -ATOM 5816 C LEU C 154 81.414 -14.734 9.954 1.00 6.65 C -ATOM 5817 O LEU C 154 81.660 -15.459 10.899 1.00 7.06 O -ATOM 5818 N ALA C 155 81.221 -13.438 10.079 1.00 6.94 N -ATOM 5819 CA ALA C 155 81.345 -12.791 11.396 1.00 7.29 C -ATOM 5820 CB ALA C 155 81.147 -11.318 11.218 1.00 7.90 C -ATOM 5821 C ALA C 155 80.354 -13.396 12.391 1.00 7.20 C -ATOM 5822 O ALA C 155 80.741 -13.705 13.534 1.00 7.78 O -ATOM 5823 N THR C 156 79.089 -13.569 11.979 1.00 7.26 N -ATOM 5824 CA THR C 156 78.093 -14.226 12.870 1.00 8.04 C -ATOM 5825 CB THR C 156 76.734 -14.256 12.176 1.00 8.61 C -ATOM 5826 OG1 THR C 156 76.343 -12.891 12.058 1.00 9.41 O -ATOM 5827 CG2 THR C 156 75.694 -15.041 12.954 1.00 9.17 C -ATOM 5828 C THR C 156 78.599 -15.607 13.218 1.00 8.83 C -ATOM 5829 O THR C 156 78.527 -16.006 14.391 1.00 9.24 O -ATOM 5830 N HIS C 157 79.095 -16.368 12.257 1.00 7.84 N -ATOM 5831 CA HIS C 157 79.554 -17.741 12.552 1.00 8.56 C -ATOM 5832 CB HIS C 157 80.143 -18.384 11.308 1.00 9.25 C -ATOM 5833 CG HIS C 157 80.625 -19.769 11.555 1.00 10.65 C -ATOM 5834 ND1 HIS C 157 79.773 -20.857 11.692 1.00 12.03 N -ATOM 5835 CE1 HIS C 157 80.473 -21.946 11.866 1.00 13.01 C -ATOM 5836 NE2 HIS C 157 81.734 -21.627 11.877 1.00 12.26 N -ATOM 5837 CD2 HIS C 157 81.867 -20.269 11.654 1.00 11.79 C -ATOM 5838 C HIS C 157 80.571 -17.720 13.673 1.00 9.17 C -ATOM 5839 O HIS C 157 80.547 -18.658 14.502 1.00 9.96 O -ATOM 5840 N ILE C 158 81.526 -16.799 13.655 1.00 9.58 N -ATOM 5841 CA ILE C 158 82.625 -16.812 14.654 1.00 9.58 C -ATOM 5842 CB ILE C 158 83.972 -16.389 14.041 1.00 8.99 C -ATOM 5843 CG1 ILE C 158 84.010 -14.918 13.621 1.00 8.65 C -ATOM 5844 CG2 ILE C 158 84.303 -17.298 12.889 1.00 9.15 C -ATOM 5845 CD1 ILE C 158 85.437 -14.345 13.510 1.00 9.12 C -ATOM 5846 C ILE C 158 82.267 -15.954 15.867 1.00 9.63 C -ATOM 5847 O ILE C 158 83.124 -15.847 16.765 1.00 11.62 O -ATOM 5848 N GLY C 159 81.128 -15.312 15.910 1.00 9.70 N -ATOM 5849 CA GLY C 159 80.723 -14.461 17.050 1.00 9.96 C -ATOM 5850 C GLY C 159 81.477 -13.152 17.109 1.00 10.26 C -ATOM 5851 O GLY C 159 81.699 -12.654 18.229 1.00 11.41 O -ATOM 5852 N SER C 160 81.759 -12.555 15.946 1.00 9.53 N -ATOM 5853 CA SER C 160 82.525 -11.302 15.834 1.00 9.16 C -ATOM 5854 CB SER C 160 83.781 -11.568 15.003 1.00 8.55 C -ATOM 5855 OG SER C 160 84.534 -10.378 14.803 1.00 10.18 O -ATOM 5856 C SER C 160 81.643 -10.241 15.180 1.00 9.43 C -ATOM 5857 O SER C 160 80.820 -10.588 14.334 1.00 10.28 O -ATOM 5858 N GLY C 161 81.946 -8.973 15.432 1.00 9.67 N -ATOM 5859 CA GLY C 161 81.535 -7.922 14.504 1.00 9.43 C -ATOM 5860 C GLY C 161 82.230 -8.096 13.155 1.00 9.34 C -ATOM 5861 O GLY C 161 83.393 -8.529 13.104 1.00 9.11 O -ATOM 5862 N ALA C 162 81.584 -7.731 12.061 1.00 8.38 N -ATOM 5863 CA ALA C 162 82.220 -7.864 10.732 1.00 8.84 C -ATOM 5864 CB ALA C 162 81.232 -7.552 9.626 1.00 8.76 C -ATOM 5865 C ALA C 162 83.474 -6.986 10.647 1.00 7.60 C -ATOM 5866 O ALA C 162 84.407 -7.371 9.928 1.00 7.66 O -ATOM 5867 N GLY C 163 83.466 -5.838 11.313 1.00 7.40 N -ATOM 5868 CA GLY C 163 84.610 -4.921 11.249 1.00 7.27 C -ATOM 5869 C GLY C 163 85.761 -5.374 12.128 1.00 7.16 C -ATOM 5870 O GLY C 163 86.725 -4.599 12.230 1.00 7.53 O -ATOM 5871 N ALA C 164 85.702 -6.555 12.755 1.00 7.32 N -ATOM 5872 CA ALA C 164 86.847 -7.104 13.530 1.00 7.72 C -ATOM 5873 CB ALA C 164 86.631 -6.996 15.041 1.00 8.82 C -ATOM 5874 C ALA C 164 87.141 -8.545 13.080 1.00 7.17 C -ATOM 5875 O ALA C 164 87.857 -9.280 13.784 1.00 7.26 O -ATOM 5876 N LEU C 165 86.710 -8.925 11.863 1.00 6.39 N -ATOM 5877 CA LEU C 165 87.086 -10.225 11.287 1.00 6.05 C -ATOM 5878 CB LEU C 165 86.543 -10.371 9.858 1.00 6.18 C -ATOM 5879 CG LEU C 165 85.048 -10.723 9.751 1.00 6.39 C -ATOM 5880 CD1 LEU C 165 84.541 -10.526 8.328 1.00 7.05 C -ATOM 5881 CD2 LEU C 165 84.811 -12.162 10.209 1.00 6.65 C -ATOM 5882 C LEU C 165 88.600 -10.373 11.267 1.00 5.85 C -ATOM 5883 O LEU C 165 89.129 -11.453 11.479 1.00 6.20 O -ATOM 5884 N GLN C 166 89.288 -9.304 10.888 1.00 5.41 N -ATOM 5885 CA GLN C 166 90.743 -9.409 10.550 1.00 5.89 C -ATOM 5886 CB GLN C 166 91.311 -8.019 10.351 1.00 6.05 C -ATOM 5887 CG GLN C 166 92.777 -8.006 9.944 1.00 7.09 C -ATOM 5888 CD GLN C 166 93.375 -6.620 9.891 1.00 9.12 C -ATOM 5889 OE1 GLN C 166 92.861 -5.656 10.529 1.00 21.54 O -ATOM 5890 NE2 GLN C 166 94.356 -6.363 9.071 1.00 7.42 N -ATOM 5891 C GLN C 166 91.483 -10.088 11.685 1.00 5.38 C -ATOM 5892 O GLN C 166 92.228 -11.062 11.458 1.00 6.11 O -ATOM 5893 N GLY C 167 91.298 -9.599 12.911 1.00 5.76 N -ATOM 5894 CA GLY C 167 91.956 -10.178 14.112 1.00 6.47 C -ATOM 5895 C GLY C 167 91.125 -11.299 14.721 1.00 6.83 C -ATOM 5896 O GLY C 167 91.730 -12.249 15.275 1.00 7.28 O -ATOM 5897 N ASN C 168 89.815 -11.211 14.723 1.00 6.85 N -ATOM 5898 CA ASN C 168 89.018 -12.224 15.469 1.00 7.22 C -ATOM 5899 CB ASN C 168 87.606 -11.747 15.739 1.00 7.38 C -ATOM 5900 CG ASN C 168 87.571 -10.657 16.784 1.00 7.97 C -ATOM 5901 OD1 ASN C 168 88.561 -10.427 17.486 1.00 11.03 O -ATOM 5902 ND2 ASN C 168 86.485 -9.924 16.842 1.00 8.73 N -ATOM 5903 C ASN C 168 88.990 -13.565 14.746 1.00 6.84 C -ATOM 5904 O ASN C 168 88.709 -14.592 15.390 1.00 7.62 O -ATOM 5905 N LEU C 169 89.328 -13.629 13.468 1.00 6.90 N -ATOM 5906 CA LEU C 169 89.415 -14.924 12.792 1.00 6.92 C -ATOM 5907 CB LEU C 169 89.521 -14.740 11.282 1.00 6.72 C -ATOM 5908 CG LEU C 169 88.182 -14.458 10.607 1.00 6.43 C -ATOM 5909 CD1 LEU C 169 88.409 -13.910 9.206 1.00 6.95 C -ATOM 5910 CD2 LEU C 169 87.413 -15.763 10.514 1.00 7.35 C -ATOM 5911 C LEU C 169 90.587 -15.754 13.302 1.00 6.80 C -ATOM 5912 O LEU C 169 90.514 -16.974 13.124 1.00 7.25 O -ATOM 5913 N LYS C 170 91.635 -15.166 13.877 1.00 7.14 N -ATOM 5914 CA LYS C 170 92.748 -15.987 14.371 1.00 8.27 C -ATOM 5915 CB LYS C 170 93.839 -15.047 14.865 1.00 8.57 C -ATOM 5916 CG LYS C 170 95.117 -15.775 15.249 1.00 10.35 C -ATOM 5917 CD LYS C 170 96.197 -14.779 15.759 1.00 14.50 C -ATOM 5918 CE LYS C 170 96.215 -14.647 17.270 1.00 16.84 C -ATOM 5919 NZ LYS C 170 97.287 -13.765 17.689 1.00 22.45 N -ATOM 5920 C LYS C 170 92.250 -16.973 15.440 1.00 8.86 C -ATOM 5921 O LYS C 170 91.671 -16.561 16.411 1.00 9.96 O -ATOM 5922 N GLY C 171 92.547 -18.238 15.214 1.00 10.64 N -ATOM 5923 CA GLY C 171 92.167 -19.353 16.094 1.00 11.47 C -ATOM 5924 C GLY C 171 90.756 -19.813 15.826 1.00 12.30 C -ATOM 5925 O GLY C 171 90.279 -20.678 16.563 1.00 16.07 O -ATOM 5926 N LYS C 172 90.061 -19.298 14.798 1.00 11.41 N -ATOM 5927 CA LYS C 172 88.657 -19.703 14.568 1.00 11.32 C -ATOM 5928 CB LYS C 172 87.729 -18.486 14.618 1.00 13.12 C -ATOM 5929 CG LYS C 172 87.706 -17.879 16.023 1.00 16.15 C -ATOM 5930 CD LYS C 172 86.801 -16.729 16.314 1.00 19.61 C -ATOM 5931 CE LYS C 172 86.932 -16.207 17.742 1.00 20.50 C -ATOM 5932 NZ LYS C 172 87.634 -14.887 17.863 1.00 17.93 N -ATOM 5933 C LYS C 172 88.553 -20.465 13.250 1.00 10.42 C -ATOM 5934 O LYS C 172 89.378 -20.287 12.322 1.00 12.12 O -ATOM 5935 N SER C 173 87.525 -21.293 13.136 1.00 9.83 N -ATOM 5936 CA SER C 173 87.198 -22.059 11.918 1.00 10.27 C -ATOM 5937 CB SER C 173 86.832 -23.475 12.242 1.00 11.88 C -ATOM 5938 OG SER C 173 87.918 -24.138 12.875 1.00 13.74 O -ATOM 5939 C SER C 173 86.060 -21.380 11.158 1.00 9.56 C -ATOM 5940 O SER C 173 85.058 -20.980 11.720 1.00 9.63 O -ATOM 5941 N TRP C 174 86.211 -21.325 9.841 1.00 8.65 N -ATOM 5942 CA TRP C 174 85.071 -21.011 8.967 1.00 8.44 C -ATOM 5943 CB TRP C 174 85.520 -20.802 7.537 1.00 8.11 C -ATOM 5944 CG TRP C 174 86.321 -19.566 7.274 1.00 9.21 C -ATOM 5945 CD1 TRP C 174 86.109 -18.634 6.301 1.00 10.03 C -ATOM 5946 NE1 TRP C 174 87.069 -17.671 6.332 1.00 11.48 N -ATOM 5947 CE2 TRP C 174 87.933 -17.962 7.331 1.00 9.97 C -ATOM 5948 CD2 TRP C 174 87.516 -19.163 7.925 1.00 10.51 C -ATOM 5949 CE3 TRP C 174 88.389 -19.822 8.768 1.00 17.29 C -ATOM 5950 CZ3 TRP C 174 89.550 -19.198 9.107 1.00 20.95 C -ATOM 5951 CH2 TRP C 174 89.918 -17.992 8.508 1.00 18.37 C -ATOM 5952 CZ2 TRP C 174 89.145 -17.374 7.557 1.00 17.87 C -ATOM 5953 C TRP C 174 84.075 -22.163 8.967 1.00 7.92 C -ATOM 5954 O TRP C 174 84.397 -23.288 9.349 1.00 8.62 O -ATOM 5955 N PRO C 175 82.848 -21.966 8.477 1.00 7.75 N -ATOM 5956 CA PRO C 175 81.946 -23.082 8.242 1.00 8.13 C -ATOM 5957 CB PRO C 175 80.720 -22.459 7.564 1.00 8.21 C -ATOM 5958 CG PRO C 175 80.812 -21.011 8.051 1.00 7.98 C -ATOM 5959 CD PRO C 175 82.286 -20.689 8.046 1.00 8.13 C -ATOM 5960 C PRO C 175 82.649 -24.103 7.347 1.00 8.49 C -ATOM 5961 O PRO C 175 83.559 -23.776 6.570 1.00 8.18 O -ATOM 5962 N THR C 176 82.228 -25.356 7.438 1.00 8.20 N -ATOM 5963 CA THR C 176 82.794 -26.431 6.597 1.00 8.28 C -ATOM 5964 CB THR C 176 82.467 -27.813 7.152 1.00 8.43 C -ATOM 5965 OG1 THR C 176 81.061 -27.974 7.046 1.00 9.53 O -ATOM 5966 CG2 THR C 176 82.918 -28.002 8.575 1.00 9.99 C -ATOM 5967 C THR C 176 82.283 -26.292 5.171 1.00 7.79 C -ATOM 5968 O THR C 176 81.281 -25.644 4.895 1.00 8.14 O -ATOM 5969 N ALA C 177 82.921 -27.008 4.273 1.00 8.45 N -ATOM 5970 CA ALA C 177 82.410 -27.099 2.907 1.00 8.78 C -ATOM 5971 CB ALA C 177 83.337 -27.849 2.026 1.00 8.74 C -ATOM 5972 C ALA C 177 80.990 -27.655 2.908 1.00 8.88 C -ATOM 5973 O ALA C 177 80.175 -27.184 2.114 1.00 8.58 O -ATOM 5974 N ASN C 178 80.710 -28.664 3.734 1.00 9.14 N -ATOM 5975 CA ASN C 178 79.313 -29.167 3.847 1.00 10.22 C -ATOM 5976 CB ASN C 178 79.210 -30.345 4.826 1.00 12.34 C -ATOM 5977 CG ASN C 178 77.823 -30.972 4.810 1.00 16.91 C -ATOM 5978 OD1 ASN C 178 77.320 -31.264 3.739 1.00 22.30 O -ATOM 5979 ND2 ASN C 178 77.206 -31.160 5.963 1.00 23.15 N -ATOM 5980 C ASN C 178 78.367 -28.050 4.288 1.00 9.79 C -ATOM 5981 O ASN C 178 77.276 -27.902 3.691 1.00 9.70 O -ATOM 5982 N ASP C 179 78.758 -27.242 5.268 1.00 8.87 N -ATOM 5983 CA ASP C 179 77.884 -26.134 5.733 1.00 10.43 C -ATOM 5984 CB ASP C 179 78.528 -25.324 6.856 1.00 10.63 C -ATOM 5985 CG ASP C 179 78.758 -26.068 8.148 1.00 11.55 C -ATOM 5986 OD1 ASP C 179 77.998 -27.023 8.415 1.00 13.33 O -ATOM 5987 OD2 ASP C 179 79.656 -25.650 8.891 1.00 11.93 O -ATOM 5988 C ASP C 179 77.654 -25.176 4.569 1.00 9.24 C -ATOM 5989 O ASP C 179 76.632 -24.535 4.521 1.00 9.49 O -ATOM 5990 N LEU C 180 78.621 -25.030 3.672 1.00 8.11 N -ATOM 5991 CA LEU C 180 78.609 -24.052 2.557 1.00 8.88 C -ATOM 5992 CB LEU C 180 79.980 -23.397 2.415 1.00 8.46 C -ATOM 5993 CG LEU C 180 80.444 -22.568 3.599 1.00 8.37 C -ATOM 5994 CD1 LEU C 180 81.898 -22.150 3.382 1.00 9.16 C -ATOM 5995 CD2 LEU C 180 79.558 -21.353 3.771 1.00 9.47 C -ATOM 5996 C LEU C 180 78.182 -24.700 1.245 1.00 7.62 C -ATOM 5997 O LEU C 180 78.370 -24.101 0.191 1.00 8.51 O -ATOM 5998 N GLN C 181 77.535 -25.868 1.278 1.00 8.78 N -ATOM 5999 CA GLN C 181 76.986 -26.490 0.051 1.00 9.37 C -ATOM 6000 CB GLN C 181 76.138 -27.743 0.344 1.00 11.73 C -ATOM 6001 C GLN C 181 76.131 -25.453 -0.664 1.00 8.33 C -ATOM 6002 O GLN C 181 75.251 -24.845 -0.030 1.00 8.92 O -ATOM 6003 N GLY C 182 76.252 -25.414 -1.970 1.00 9.07 N -ATOM 6004 CA GLY C 182 75.374 -24.567 -2.790 1.00 10.12 C -ATOM 6005 C GLY C 182 75.692 -23.081 -2.666 1.00 9.75 C -ATOM 6006 O GLY C 182 74.969 -22.293 -3.261 1.00 10.67 O -ATOM 6007 N LYS C 183 76.718 -22.675 -1.909 1.00 8.42 N -ATOM 6008 CA LYS C 183 77.008 -21.233 -1.737 1.00 8.27 C -ATOM 6009 CB LYS C 183 77.458 -20.940 -0.310 1.00 8.31 C -ATOM 6010 CG LYS C 183 76.497 -21.452 0.752 1.00 9.48 C -ATOM 6011 CD LYS C 183 75.113 -20.852 0.731 1.00 10.18 C -ATOM 6012 CE LYS C 183 75.085 -19.419 1.172 1.00 10.11 C -ATOM 6013 NZ LYS C 183 73.712 -18.916 0.940 1.00 10.83 N -ATOM 6014 C LYS C 183 78.039 -20.701 -2.725 1.00 7.54 C -ATOM 6015 O LYS C 183 78.801 -21.452 -3.339 1.00 8.45 O -ATOM 6016 N VAL C 184 77.963 -19.383 -2.873 1.00 7.31 N -ATOM 6017 CA VAL C 184 78.901 -18.597 -3.697 1.00 7.16 C -ATOM 6018 CB VAL C 184 78.197 -17.963 -4.905 1.00 7.71 C -ATOM 6019 CG1 VAL C 184 79.110 -17.028 -5.675 1.00 8.58 C -ATOM 6020 CG2 VAL C 184 77.637 -19.025 -5.836 1.00 7.45 C -ATOM 6021 C VAL C 184 79.532 -17.554 -2.790 1.00 7.37 C -ATOM 6022 O VAL C 184 78.822 -16.841 -2.094 1.00 7.49 O -ATOM 6023 N LEU C 185 80.853 -17.458 -2.841 1.00 6.46 N -ATOM 6024 CA LEU C 185 81.642 -16.421 -2.134 1.00 7.00 C -ATOM 6025 CB LEU C 185 82.770 -17.064 -1.316 1.00 7.01 C -ATOM 6026 CG LEU C 185 82.349 -17.769 -0.033 1.00 7.10 C -ATOM 6027 CD1 LEU C 185 81.588 -19.052 -0.317 1.00 8.10 C -ATOM 6028 CD2 LEU C 185 83.557 -18.080 0.833 1.00 7.89 C -ATOM 6029 C LEU C 185 82.276 -15.501 -3.167 1.00 6.83 C -ATOM 6030 O LEU C 185 82.924 -16.013 -4.095 1.00 8.36 O -ATOM 6031 N LEU C 186 82.060 -14.206 -3.035 1.00 6.31 N -ATOM 6032 CA LEU C 186 82.610 -13.221 -3.966 1.00 6.21 C -ATOM 6033 CB LEU C 186 81.525 -12.202 -4.323 1.00 6.64 C -ATOM 6034 CG LEU C 186 80.277 -12.807 -4.934 1.00 7.27 C -ATOM 6035 CD1 LEU C 186 79.256 -11.708 -5.189 1.00 7.91 C -ATOM 6036 CD2 LEU C 186 80.579 -13.575 -6.179 1.00 8.23 C -ATOM 6037 C LEU C 186 83.796 -12.543 -3.297 1.00 5.68 C -ATOM 6038 O LEU C 186 83.708 -12.183 -2.128 1.00 6.34 O -ATOM 6039 N VAL C 187 84.846 -12.262 -4.066 1.00 5.62 N -ATOM 6040 CA VAL C 187 86.103 -11.701 -3.533 1.00 6.01 C -ATOM 6041 CB VAL C 187 87.209 -12.769 -3.533 1.00 6.07 C -ATOM 6042 CG1 VAL C 187 88.473 -12.185 -2.853 1.00 6.53 C -ATOM 6043 CG2 VAL C 187 86.754 -14.039 -2.847 1.00 6.45 C -ATOM 6044 C VAL C 187 86.511 -10.530 -4.413 1.00 5.95 C -ATOM 6045 O VAL C 187 86.505 -10.674 -5.640 1.00 7.57 O -ATOM 6046 N LEU C 188 86.809 -9.401 -3.817 1.00 5.62 N -ATOM 6047 CA LEU C 188 87.234 -8.197 -4.565 1.00 5.96 C -ATOM 6048 CB LEU C 188 86.600 -6.956 -3.944 1.00 6.23 C -ATOM 6049 CG LEU C 188 86.890 -5.656 -4.693 1.00 7.21 C -ATOM 6050 CD1 LEU C 188 86.303 -5.672 -6.107 1.00 8.78 C -ATOM 6051 CD2 LEU C 188 86.338 -4.474 -3.907 1.00 8.05 C -ATOM 6052 C LEU C 188 88.761 -8.100 -4.540 1.00 5.87 C -ATOM 6053 O LEU C 188 89.383 -8.149 -3.434 1.00 6.34 O -ATOM 6054 N ASN C 189 89.350 -7.947 -5.713 1.00 5.75 N -ATOM 6055 CA ASN C 189 90.776 -7.585 -5.848 1.00 6.47 C -ATOM 6056 CB ASN C 189 91.577 -8.671 -6.558 1.00 6.69 C -ATOM 6057 CG ASN C 189 91.748 -9.991 -5.828 1.00 6.54 C -ATOM 6058 OD1 ASN C 189 91.476 -10.175 -4.630 1.00 8.72 O -ATOM 6059 ND2 ASN C 189 92.255 -10.957 -6.543 1.00 6.59 N -ATOM 6060 C ASN C 189 90.901 -6.283 -6.652 1.00 6.58 C -ATOM 6061 O ASN C 189 89.937 -5.926 -7.372 1.00 6.72 O -ATOM 6062 N HIS C 190 92.040 -5.613 -6.517 1.00 7.88 N -ATOM 6063 CA HIS C 190 92.386 -4.406 -7.301 1.00 7.73 C -ATOM 6064 CB HIS C 190 91.604 -3.186 -6.801 1.00 7.41 C -ATOM 6065 CG HIS C 190 91.660 -2.010 -7.710 1.00 8.02 C -ATOM 6066 ND1 HIS C 190 92.781 -1.206 -7.763 1.00 7.83 N -ATOM 6067 CE1 HIS C 190 92.575 -0.262 -8.661 1.00 7.74 C -ATOM 6068 NE2 HIS C 190 91.332 -0.436 -9.174 1.00 8.68 N -ATOM 6069 CD2 HIS C 190 90.755 -1.517 -8.580 1.00 8.51 C -ATOM 6070 C HIS C 190 93.887 -4.249 -7.169 1.00 8.60 C -ATOM 6071 O HIS C 190 94.421 -4.711 -6.151 1.00 9.28 O -ATOM 6072 N SER C 191 94.542 -3.574 -8.079 1.00 8.76 N -ATOM 6073 CA SER C 191 95.994 -3.311 -7.923 1.00 10.08 C -ATOM 6074 CB SER C 191 96.607 -2.741 -9.167 1.00 12.19 C -ATOM 6075 OG SER C 191 96.009 -1.518 -9.460 1.00 16.92 O -ATOM 6076 C SER C 191 96.215 -2.376 -6.724 1.00 8.78 C -ATOM 6077 O SER C 191 97.305 -2.433 -6.118 1.00 9.37 O -ATOM 6078 N GLU C 192 95.223 -1.586 -6.355 1.00 8.21 N -ATOM 6079 CA GLU C 192 95.369 -0.555 -5.319 1.00 8.18 C -ATOM 6080 CB GLU C 192 94.999 0.833 -5.827 1.00 9.53 C -ATOM 6081 CG GLU C 192 95.890 1.335 -6.936 1.00 12.45 C -ATOM 6082 CD GLU C 192 95.351 2.571 -7.616 1.00 15.43 C -ATOM 6083 OE1 GLU C 192 94.615 3.317 -6.952 1.00 17.05 O -ATOM 6084 OE2 GLU C 192 95.621 2.708 -8.805 1.00 21.97 O -ATOM 6085 C GLU C 192 94.425 -0.867 -4.165 1.00 7.28 C -ATOM 6086 O GLU C 192 93.191 -0.843 -4.311 1.00 7.48 O -ATOM 6087 N ASN C 193 95.001 -1.132 -3.000 1.00 7.12 N -ATOM 6088 CA ASN C 193 94.150 -1.465 -1.840 1.00 6.51 C -ATOM 6089 CB ASN C 193 95.020 -1.799 -0.630 1.00 6.61 C -ATOM 6090 CG ASN C 193 95.736 -3.127 -0.778 1.00 6.66 C -ATOM 6091 OD1 ASN C 193 95.280 -3.975 -1.569 1.00 6.80 O -ATOM 6092 ND2 ASN C 193 96.824 -3.341 -0.029 1.00 6.23 N -ATOM 6093 C ASN C 193 93.207 -0.317 -1.468 1.00 6.48 C -ATOM 6094 O ASN C 193 92.191 -0.539 -0.827 1.00 6.33 O -ATOM 6095 N GLN C 194 93.532 0.911 -1.899 1.00 6.98 N -ATOM 6096 CA GLN C 194 92.612 2.055 -1.686 1.00 7.21 C -ATOM 6097 CB GLN C 194 93.098 3.315 -2.415 1.00 7.98 C -ATOM 6098 CG GLN C 194 94.288 3.952 -1.754 1.00 9.92 C -ATOM 6099 CD GLN C 194 95.653 3.344 -2.003 1.00 10.19 C -ATOM 6100 OE1 GLN C 194 95.822 2.265 -2.609 1.00 10.96 O -ATOM 6101 NE2 GLN C 194 96.655 4.084 -1.516 1.00 11.64 N -ATOM 6102 C GLN C 194 91.196 1.707 -2.193 1.00 6.26 C -ATOM 6103 O GLN C 194 90.206 2.130 -1.588 1.00 7.19 O -ATOM 6104 N LYS C 195 91.064 1.057 -3.320 1.00 7.30 N -ATOM 6105 CA LYS C 195 89.745 0.752 -3.917 1.00 8.12 C -ATOM 6106 CB LYS C 195 89.884 0.192 -5.345 1.00 9.47 C -ATOM 6107 CG LYS C 195 90.603 1.015 -6.417 1.00 15.75 C -ATOM 6108 CD LYS C 195 90.942 2.455 -6.181 1.00 12.68 C -ATOM 6109 CE LYS C 195 91.011 3.285 -7.455 1.00 13.54 C -ATOM 6110 NZ LYS C 195 92.003 4.378 -7.375 1.00 15.20 N -ATOM 6111 C LYS C 195 88.969 -0.214 -3.002 1.00 7.38 C -ATOM 6112 O LYS C 195 87.739 -0.151 -2.936 1.00 7.24 O -ATOM 6113 N LEU C 196 89.692 -1.141 -2.357 1.00 6.22 N -ATOM 6114 CA LEU C 196 89.056 -2.082 -1.403 1.00 6.71 C -ATOM 6115 CB LEU C 196 90.005 -3.228 -1.053 1.00 6.44 C -ATOM 6116 CG LEU C 196 90.058 -4.397 -2.031 1.00 7.07 C -ATOM 6117 CD1 LEU C 196 90.235 -4.032 -3.477 1.00 7.69 C -ATOM 6118 CD2 LEU C 196 91.149 -5.380 -1.628 1.00 7.15 C -ATOM 6119 C LEU C 196 88.659 -1.325 -0.145 1.00 6.29 C -ATOM 6120 O LEU C 196 87.605 -1.569 0.428 1.00 6.95 O -ATOM 6121 N SER C 197 89.470 -0.382 0.302 1.00 6.54 N -ATOM 6122 CA SER C 197 89.163 0.441 1.490 1.00 6.63 C -ATOM 6123 CB SER C 197 90.335 1.317 1.821 1.00 6.92 C -ATOM 6124 OG SER C 197 90.163 1.853 3.116 1.00 7.71 O -ATOM 6125 C SER C 197 87.891 1.242 1.214 1.00 7.23 C -ATOM 6126 O SER C 197 87.027 1.356 2.075 1.00 8.00 O -ATOM 6127 N GLN C 198 87.814 1.817 0.034 1.00 7.03 N -ATOM 6128 CA GLN C 198 86.625 2.589 -0.366 1.00 7.58 C -ATOM 6129 CB GLN C 198 86.856 3.184 -1.752 1.00 7.40 C -ATOM 6130 CG GLN C 198 87.817 4.365 -1.724 1.00 8.80 C -ATOM 6131 CD GLN C 198 88.491 4.591 -3.043 1.00 10.54 C -ATOM 6132 OE1 GLN C 198 88.100 4.061 -4.072 1.00 12.76 O -ATOM 6133 NE2 GLN C 198 89.555 5.379 -3.038 1.00 14.70 N -ATOM 6134 C GLN C 198 85.373 1.706 -0.328 1.00 7.26 C -ATOM 6135 O GLN C 198 84.307 2.142 0.126 1.00 8.21 O -ATOM 6136 N TYR C 199 85.463 0.511 -0.868 1.00 6.55 N -ATOM 6137 CA TYR C 199 84.328 -0.415 -0.895 1.00 6.86 C -ATOM 6138 CB TYR C 199 84.745 -1.683 -1.646 1.00 6.53 C -ATOM 6139 CG TYR C 199 83.685 -2.770 -1.573 1.00 6.51 C -ATOM 6140 CD1 TYR C 199 82.569 -2.776 -2.413 1.00 6.68 C -ATOM 6141 CE1 TYR C 199 81.561 -3.736 -2.293 1.00 6.86 C -ATOM 6142 CZ TYR C 199 81.645 -4.685 -1.292 1.00 6.47 C -ATOM 6143 OH TYR C 199 80.691 -5.638 -1.093 1.00 7.51 O -ATOM 6144 CE2 TYR C 199 82.739 -4.678 -0.427 1.00 6.54 C -ATOM 6145 CD2 TYR C 199 83.740 -3.729 -0.565 1.00 6.48 C -ATOM 6146 C TYR C 199 83.900 -0.717 0.531 1.00 6.79 C -ATOM 6147 O TYR C 199 82.712 -0.642 0.861 1.00 6.88 O -ATOM 6148 N ALA C 200 84.848 -1.086 1.411 1.00 6.77 N -ATOM 6149 CA ALA C 200 84.522 -1.485 2.795 1.00 7.12 C -ATOM 6150 CB ALA C 200 85.693 -2.081 3.500 1.00 6.72 C -ATOM 6151 C ALA C 200 83.950 -0.315 3.580 1.00 7.64 C -ATOM 6152 O ALA C 200 83.033 -0.479 4.372 1.00 8.69 O -ATOM 6153 N GLU C 201 84.469 0.867 3.343 1.00 8.27 N -ATOM 6154 CA GLU C 201 83.947 2.035 4.075 1.00 8.96 C -ATOM 6155 CB GLU C 201 84.873 3.227 3.895 1.00 10.80 C -ATOM 6156 CG GLU C 201 86.090 3.146 4.817 1.00 14.82 C -ATOM 6157 CD GLU C 201 86.947 4.396 4.954 1.00 17.78 C -ATOM 6158 OE1 GLU C 201 86.658 5.434 4.304 1.00 19.32 O -ATOM 6159 OE2 GLU C 201 87.925 4.330 5.720 1.00 20.88 O -ATOM 6160 C GLU C 201 82.533 2.333 3.591 1.00 8.72 C -ATOM 6161 O GLU C 201 81.695 2.773 4.382 1.00 9.66 O -ATOM 6162 N ALA C 202 82.239 2.095 2.335 1.00 7.95 N -ATOM 6163 CA ALA C 202 80.897 2.384 1.788 1.00 7.77 C -ATOM 6164 CB ALA C 202 80.906 2.345 0.286 1.00 8.64 C -ATOM 6165 C ALA C 202 79.898 1.361 2.319 1.00 8.05 C -ATOM 6166 O ALA C 202 78.738 1.710 2.640 1.00 10.30 O -ATOM 6167 N ARG C 203 80.271 0.085 2.374 1.00 8.29 N -ATOM 6168 CA ARG C 203 79.288 -1.000 2.579 1.00 8.28 C -ATOM 6169 CB ARG C 203 79.578 -2.131 1.611 1.00 8.00 C -ATOM 6170 C ARG C 203 79.265 -1.554 3.999 1.00 7.91 C -ATOM 6171 O ARG C 203 78.258 -2.167 4.342 1.00 8.68 O -ATOM 6172 N THR C 204 80.369 -1.394 4.730 1.00 8.96 N -ATOM 6173 CA THR C 204 80.528 -1.883 6.130 1.00 10.16 C -ATOM 6174 CB THR C 204 80.022 -0.872 7.171 1.00 12.33 C -ATOM 6175 OG1 THR C 204 78.600 -0.743 7.093 1.00 13.57 O -ATOM 6176 CG2 THR C 204 80.692 0.480 7.077 1.00 13.75 C -ATOM 6177 C THR C 204 79.992 -3.319 6.256 1.00 10.58 C -ATOM 6178 O THR C 204 80.317 -4.181 5.450 1.00 10.18 O -ATOM 6179 N SER C 205 79.138 -3.597 7.241 1.00 10.76 N -ATOM 6180 CA SER C 205 78.653 -4.976 7.506 1.00 10.95 C -ATOM 6181 CB SER C 205 78.050 -5.051 8.880 1.00 12.92 C -ATOM 6182 OG SER C 205 76.885 -4.253 8.920 1.00 15.75 O -ATOM 6183 C SER C 205 77.644 -5.440 6.445 1.00 10.55 C -ATOM 6184 O SER C 205 77.306 -6.660 6.476 1.00 10.98 O -ATOM 6185 N LYS C 206 77.192 -4.574 5.538 1.00 10.31 N -ATOM 6186 CA LYS C 206 76.209 -4.974 4.513 1.00 10.49 C -ATOM 6187 CB LYS C 206 75.311 -3.783 4.199 1.00 12.58 C -ATOM 6188 CG LYS C 206 74.351 -3.405 5.332 1.00 14.74 C -ATOM 6189 CD LYS C 206 73.517 -2.176 5.035 1.00 19.52 C -ATOM 6190 CE LYS C 206 73.442 -1.223 6.211 1.00 23.77 C -ATOM 6191 NZ LYS C 206 72.468 -0.136 5.952 1.00 27.06 N -ATOM 6192 C LYS C 206 76.929 -5.500 3.279 1.00 8.75 C -ATOM 6193 O LYS C 206 76.265 -6.020 2.382 1.00 9.10 O -ATOM 6194 N ALA C 207 78.252 -5.431 3.243 1.00 8.09 N -ATOM 6195 CA ALA C 207 79.024 -5.832 2.053 1.00 7.57 C -ATOM 6196 CB ALA C 207 80.483 -5.889 2.375 1.00 7.62 C -ATOM 6197 C ALA C 207 78.582 -7.219 1.566 1.00 7.01 C -ATOM 6198 O ALA C 207 78.557 -8.215 2.358 1.00 7.93 O -ATOM 6199 N LYS C 208 78.403 -7.358 0.266 1.00 6.98 N -ATOM 6200 CA LYS C 208 78.140 -8.690 -0.335 1.00 7.01 C -ATOM 6201 CB LYS C 208 77.273 -8.545 -1.586 1.00 7.74 C -ATOM 6202 CG LYS C 208 75.876 -8.038 -1.275 1.00 8.64 C -ATOM 6203 CD LYS C 208 75.106 -8.896 -0.279 1.00 9.85 C -ATOM 6204 CE LYS C 208 73.661 -8.471 -0.190 1.00 11.21 C -ATOM 6205 NZ LYS C 208 73.016 -9.174 0.923 1.00 12.37 N -ATOM 6206 C LYS C 208 79.444 -9.390 -0.692 1.00 6.58 C -ATOM 6207 O LYS C 208 79.372 -10.579 -1.013 1.00 7.68 O -ATOM 6208 N VAL C 209 80.566 -8.678 -0.695 1.00 6.37 N -ATOM 6209 CA VAL C 209 81.832 -9.191 -1.264 1.00 7.17 C -ATOM 6210 CB VAL C 209 82.205 -8.356 -2.497 1.00 7.33 C -ATOM 6211 CG1 VAL C 209 83.482 -8.857 -3.162 1.00 7.78 C -ATOM 6212 CG2 VAL C 209 81.065 -8.259 -3.494 1.00 7.39 C -ATOM 6213 C VAL C 209 82.908 -9.094 -0.193 1.00 6.88 C -ATOM 6214 O VAL C 209 82.984 -8.084 0.519 1.00 7.41 O -ATOM 6215 N PHE C 210 83.757 -10.108 -0.109 1.00 6.09 N -ATOM 6216 CA PHE C 210 84.963 -10.127 0.745 1.00 6.21 C -ATOM 6217 CB PHE C 210 85.489 -11.558 0.866 1.00 5.82 C -ATOM 6218 CG PHE C 210 84.641 -12.455 1.742 1.00 6.00 C -ATOM 6219 CD2 PHE C 210 84.938 -12.607 3.087 1.00 6.80 C -ATOM 6220 CE2 PHE C 210 84.160 -13.441 3.892 1.00 7.32 C -ATOM 6221 CZ PHE C 210 83.097 -14.101 3.360 1.00 7.11 C -ATOM 6222 CD1 PHE C 210 83.549 -13.145 1.218 1.00 6.36 C -ATOM 6223 CE1 PHE C 210 82.777 -13.959 2.031 1.00 6.88 C -ATOM 6224 C PHE C 210 86.055 -9.278 0.086 1.00 5.73 C -ATOM 6225 O PHE C 210 86.433 -9.572 -1.038 1.00 8.62 O -ATOM 6226 N ILE C 211 86.690 -8.375 0.809 1.00 5.62 N -ATOM 6227 CA ILE C 211 87.883 -7.679 0.271 1.00 5.72 C -ATOM 6228 CB ILE C 211 88.000 -6.272 0.832 1.00 6.00 C -ATOM 6229 CG1 ILE C 211 88.121 -6.209 2.348 1.00 6.13 C -ATOM 6230 CG2 ILE C 211 86.856 -5.394 0.304 1.00 6.00 C -ATOM 6231 CD1 ILE C 211 88.678 -4.879 2.831 1.00 7.23 C -ATOM 6232 C ILE C 211 89.113 -8.550 0.510 1.00 5.53 C -ATOM 6233 O ILE C 211 89.288 -9.108 1.570 1.00 6.24 O -ATOM 6234 N SER C 212 90.011 -8.575 -0.448 1.00 5.41 N -ATOM 6235 CA SER C 212 91.265 -9.367 -0.326 1.00 5.26 C -ATOM 6236 CB SER C 212 91.138 -10.644 -1.081 1.00 5.42 C -ATOM 6237 OG SER C 212 92.327 -11.398 -0.884 1.00 6.55 O -ATOM 6238 C SER C 212 92.406 -8.480 -0.786 1.00 5.19 C -ATOM 6239 O SER C 212 92.692 -8.446 -1.979 1.00 6.46 O -ATOM 6240 N PRO C 213 93.065 -7.752 0.118 1.00 5.46 N -ATOM 6241 CA PRO C 213 94.088 -6.812 -0.313 1.00 5.56 C -ATOM 6242 CB PRO C 213 94.360 -5.979 0.973 1.00 5.88 C -ATOM 6243 CG PRO C 213 93.994 -6.890 2.109 1.00 5.95 C -ATOM 6244 CD PRO C 213 92.821 -7.687 1.573 1.00 5.93 C -ATOM 6245 C PRO C 213 95.382 -7.460 -0.804 1.00 5.42 C -ATOM 6246 O PRO C 213 95.744 -8.541 -0.401 1.00 5.66 O -ATOM 6247 N VAL C 214 96.057 -6.692 -1.631 1.00 5.64 N -ATOM 6248 CA VAL C 214 97.451 -6.957 -2.001 1.00 6.21 C -ATOM 6249 CB VAL C 214 98.004 -5.866 -2.929 1.00 6.97 C -ATOM 6250 CG1 VAL C 214 99.480 -6.074 -3.155 1.00 7.68 C -ATOM 6251 CG2 VAL C 214 97.238 -5.740 -4.236 1.00 8.11 C -ATOM 6252 C VAL C 214 98.245 -7.059 -0.703 1.00 6.51 C -ATOM 6253 O VAL C 214 98.184 -6.152 0.155 1.00 6.59 O -ATOM 6254 N THR C 215 98.967 -8.154 -0.552 1.00 6.36 N -ATOM 6255 CA THR C 215 99.646 -8.521 0.715 1.00 6.40 C -ATOM 6256 CB THR C 215 98.974 -9.780 1.248 1.00 6.39 C -ATOM 6257 OG1 THR C 215 97.595 -9.495 1.521 1.00 6.46 O -ATOM 6258 CG2 THR C 215 99.633 -10.292 2.513 1.00 7.08 C -ATOM 6259 C THR C 215 101.126 -8.721 0.483 1.00 7.39 C -ATOM 6260 O THR C 215 101.520 -9.622 -0.259 1.00 7.72 O -ATOM 6261 N ASN C 216 101.924 -7.876 1.121 1.00 7.14 N -ATOM 6262 CA ASN C 216 103.397 -8.015 1.021 1.00 8.94 C -ATOM 6263 CB ASN C 216 103.977 -7.243 -0.157 1.00 11.24 C -ATOM 6264 CG ASN C 216 103.690 -5.779 -0.077 1.00 11.77 C -ATOM 6265 OD1 ASN C 216 103.663 -5.217 1.000 1.00 15.13 O -ATOM 6266 ND2 ASN C 216 103.534 -5.164 -1.239 1.00 13.98 N -ATOM 6267 C ASN C 216 104.087 -7.673 2.338 1.00 8.07 C -ATOM 6268 O ASN C 216 105.325 -7.552 2.346 1.00 10.68 O -ATOM 6269 N GLY C 217 103.367 -7.576 3.433 1.00 7.93 N -ATOM 6270 CA GLY C 217 103.980 -7.382 4.759 1.00 7.62 C -ATOM 6271 C GLY C 217 102.973 -7.796 5.798 1.00 6.96 C -ATOM 6272 O GLY C 217 101.757 -8.000 5.502 1.00 6.91 O -ATOM 6273 N GLN C 218 103.431 -7.973 7.013 1.00 6.68 N -ATOM 6274 CA GLN C 218 102.602 -8.484 8.111 1.00 6.39 C -ATOM 6275 CB GLN C 218 103.451 -8.581 9.383 1.00 6.59 C -ATOM 6276 CG GLN C 218 102.637 -9.136 10.557 1.00 6.96 C -ATOM 6277 CD GLN C 218 102.362 -10.614 10.415 1.00 6.23 C -ATOM 6278 OE1 GLN C 218 103.283 -11.402 10.118 1.00 6.97 O -ATOM 6279 NE2 GLN C 218 101.142 -11.022 10.717 1.00 6.24 N -ATOM 6280 C GLN C 218 101.379 -7.592 8.312 1.00 6.26 C -ATOM 6281 O GLN C 218 100.305 -8.120 8.644 1.00 6.82 O -ATOM 6282 N ASN C 219 101.561 -6.303 8.219 1.00 6.56 N -ATOM 6283 CA ASN C 219 100.434 -5.398 8.479 1.00 6.26 C -ATOM 6284 CB ASN C 219 100.838 -3.937 8.393 1.00 6.55 C -ATOM 6285 CG ASN C 219 101.467 -3.581 7.075 1.00 6.83 C -ATOM 6286 OD1 ASN C 219 102.520 -4.132 6.755 1.00 8.23 O -ATOM 6287 ND2 ASN C 219 100.822 -2.693 6.326 1.00 6.86 N -ATOM 6288 C ASN C 219 99.258 -5.657 7.534 1.00 5.70 C -ATOM 6289 O ASN C 219 98.139 -5.305 7.855 1.00 5.97 O -ATOM 6290 N ASP C 220 99.525 -6.197 6.341 1.00 5.55 N -ATOM 6291 CA ASP C 220 98.435 -6.459 5.380 1.00 5.66 C -ATOM 6292 CB ASP C 220 99.048 -6.715 4.026 1.00 6.22 C -ATOM 6293 CG ASP C 220 99.802 -5.524 3.460 1.00 6.59 C -ATOM 6294 OD1 ASP C 220 99.430 -4.375 3.737 1.00 7.38 O -ATOM 6295 OD2 ASP C 220 100.811 -5.818 2.753 1.00 7.19 O -ATOM 6296 C ASP C 220 97.584 -7.638 5.828 1.00 6.02 C -ATOM 6297 O ASP C 220 96.445 -7.802 5.334 1.00 6.29 O -ATOM 6298 N ILE C 221 98.108 -8.507 6.681 1.00 6.09 N -ATOM 6299 CA ILE C 221 97.337 -9.609 7.327 1.00 6.96 C -ATOM 6300 CB ILE C 221 98.255 -10.777 7.720 1.00 7.64 C -ATOM 6301 CG1 ILE C 221 99.086 -11.273 6.544 1.00 9.12 C -ATOM 6302 CG2 ILE C 221 97.389 -11.866 8.388 1.00 8.33 C -ATOM 6303 CD1 ILE C 221 98.352 -12.103 5.618 1.00 11.28 C -ATOM 6304 C ILE C 221 96.669 -9.068 8.576 1.00 5.84 C -ATOM 6305 O ILE C 221 95.460 -9.283 8.740 1.00 6.26 O -ATOM 6306 N SER C 222 97.393 -8.393 9.451 1.00 5.81 N -ATOM 6307 CA SER C 222 96.982 -8.293 10.868 1.00 6.12 C -ATOM 6308 CB SER C 222 97.880 -9.163 11.703 1.00 6.17 C -ATOM 6309 OG SER C 222 99.248 -8.831 11.499 1.00 6.79 O -ATOM 6310 C SER C 222 97.009 -6.874 11.408 1.00 5.95 C -ATOM 6311 O SER C 222 96.741 -6.730 12.604 1.00 6.40 O -ATOM 6312 N GLY C 223 97.302 -5.858 10.597 1.00 6.16 N -ATOM 6313 CA GLY C 223 97.287 -4.494 11.126 1.00 6.33 C -ATOM 6314 C GLY C 223 96.649 -3.545 10.160 1.00 5.49 C -ATOM 6315 O GLY C 223 95.663 -3.932 9.501 1.00 5.98 O -ATOM 6316 N LYS C 224 97.155 -2.321 10.128 1.00 5.95 N -ATOM 6317 CA LYS C 224 96.634 -1.345 9.169 1.00 6.20 C -ATOM 6318 CB LYS C 224 97.021 0.060 9.560 1.00 6.74 C -ATOM 6319 CG LYS C 224 96.537 1.094 8.547 1.00 8.02 C -ATOM 6320 CD LYS C 224 97.289 2.404 8.645 1.00 12.18 C -ATOM 6321 CE LYS C 224 96.721 3.488 7.752 1.00 18.46 C -ATOM 6322 NZ LYS C 224 97.162 3.269 6.376 1.00 24.46 N -ATOM 6323 C LYS C 224 97.227 -1.697 7.803 1.00 5.93 C -ATOM 6324 O LYS C 224 98.465 -1.674 7.602 1.00 6.24 O -ATOM 6325 N VAL C 225 96.361 -2.162 6.911 1.00 5.70 N -ATOM 6326 CA VAL C 225 96.761 -2.693 5.607 1.00 5.47 C -ATOM 6327 CB VAL C 225 95.546 -3.350 4.951 1.00 5.62 C -ATOM 6328 CG1 VAL C 225 95.822 -3.757 3.519 1.00 5.58 C -ATOM 6329 CG2 VAL C 225 95.066 -4.552 5.788 1.00 5.77 C -ATOM 6330 C VAL C 225 97.282 -1.527 4.791 1.00 5.44 C -ATOM 6331 O VAL C 225 96.688 -0.450 4.805 1.00 5.67 O -ATOM 6332 N SER C 226 98.369 -1.755 4.064 1.00 5.94 N -ATOM 6333 CA SER C 226 98.915 -0.726 3.150 1.00 7.75 C -ATOM 6334 CB SER C 226 100.060 -1.252 2.354 1.00 8.62 C -ATOM 6335 OG SER C 226 101.122 -1.527 3.265 1.00 12.69 O -ATOM 6336 C SER C 226 97.811 -0.215 2.227 1.00 7.07 C -ATOM 6337 O SER C 226 97.109 -1.034 1.629 1.00 6.98 O -ATOM 6338 N GLY C 227 97.654 1.078 2.160 1.00 6.68 N -ATOM 6339 CA GLY C 227 96.675 1.755 1.295 1.00 7.13 C -ATOM 6340 C GLY C 227 95.254 1.716 1.814 1.00 7.43 C -ATOM 6341 O GLY C 227 94.405 2.164 1.068 1.00 9.25 O -ATOM 6342 N MET C 228 95.009 1.239 3.037 1.00 6.71 N -ATOM 6343 CA MET C 228 93.655 1.184 3.586 1.00 6.65 C -ATOM 6344 CB MET C 228 93.219 -0.263 3.764 1.00 6.95 C -ATOM 6345 CG MET C 228 93.263 -1.044 2.508 1.00 6.86 C -ATOM 6346 SD MET C 228 91.946 -2.275 2.253 1.00 8.21 S -ATOM 6347 CE MET C 228 90.811 -2.129 3.617 1.00 14.40 C -ATOM 6348 C MET C 228 93.594 1.896 4.919 1.00 6.99 C -ATOM 6349 O MET C 228 94.590 2.006 5.635 1.00 7.55 O -ATOM 6350 N SER C 229 92.396 2.307 5.305 1.00 6.34 N -ATOM 6351 CA SER C 229 92.144 2.810 6.658 1.00 7.44 C -ATOM 6352 CB SER C 229 90.797 3.482 6.720 1.00 7.13 C -ATOM 6353 OG SER C 229 89.778 2.527 6.475 1.00 7.27 O -ATOM 6354 C SER C 229 92.220 1.631 7.628 1.00 7.29 C -ATOM 6355 O SER C 229 92.013 0.454 7.270 1.00 6.63 O -ATOM 6356 N SER C 230 92.322 1.969 8.897 1.00 7.41 N -ATOM 6357 CA SER C 230 92.217 0.990 9.995 1.00 8.45 C -ATOM 6358 CB SER C 230 92.546 1.673 11.276 1.00 8.85 C -ATOM 6359 OG SER C 230 93.949 1.857 11.360 1.00 15.67 O -ATOM 6360 C SER C 230 90.824 0.375 9.995 1.00 7.27 C -ATOM 6361 O SER C 230 90.703 -0.849 10.163 1.00 7.50 O -ATOM 6362 N GLN C 231 89.832 1.204 9.775 1.00 7.85 N -ATOM 6363 CA GLN C 231 88.469 0.676 9.817 1.00 8.55 C -ATOM 6364 CB GLN C 231 87.455 1.808 9.637 1.00 10.32 C -ATOM 6365 CG GLN C 231 86.057 1.361 9.210 1.00 15.63 C -ATOM 6366 CD GLN C 231 85.081 2.493 8.978 1.00 18.68 C -ATOM 6367 OE1 GLN C 231 85.344 3.652 9.330 1.00 27.80 O -ATOM 6368 NE2 GLN C 231 83.932 2.170 8.389 1.00 15.96 N -ATOM 6369 C GLN C 231 88.288 -0.380 8.717 1.00 6.69 C -ATOM 6370 O GLN C 231 87.719 -1.448 8.969 1.00 6.82 O -ATOM 6371 N SER C 232 88.752 -0.133 7.508 1.00 6.34 N -ATOM 6372 CA SER C 232 88.556 -1.096 6.416 1.00 6.75 C -ATOM 6373 CB SER C 232 88.887 -0.432 5.122 1.00 7.50 C -ATOM 6374 OG SER C 232 87.882 0.510 4.798 1.00 8.87 O -ATOM 6375 C SER C 232 89.422 -2.318 6.649 1.00 6.29 C -ATOM 6376 O SER C 232 89.002 -3.430 6.298 1.00 6.79 O -ATOM 6377 N SER C 233 90.592 -2.121 7.246 1.00 5.99 N -ATOM 6378 CA SER C 233 91.472 -3.268 7.536 1.00 5.92 C -ATOM 6379 CB SER C 233 92.719 -2.758 8.220 1.00 5.69 C -ATOM 6380 OG SER C 233 93.490 -1.928 7.379 1.00 5.92 O -ATOM 6381 C SER C 233 90.772 -4.309 8.403 1.00 6.27 C -ATOM 6382 O SER C 233 91.062 -5.510 8.245 1.00 6.36 O -ATOM 6383 N GLY C 234 89.899 -3.843 9.304 1.00 5.80 N -ATOM 6384 CA GLY C 234 89.231 -4.775 10.230 1.00 5.86 C -ATOM 6385 C GLY C 234 88.287 -5.776 9.557 1.00 6.11 C -ATOM 6386 O GLY C 234 87.973 -6.805 10.185 1.00 6.53 O -ATOM 6387 N TYR C 235 87.878 -5.539 8.329 1.00 6.08 N -ATOM 6388 CA TYR C 235 86.994 -6.434 7.549 1.00 6.20 C -ATOM 6389 CB TYR C 235 86.176 -5.631 6.541 1.00 6.65 C -ATOM 6390 CG TYR C 235 85.138 -4.730 7.171 1.00 6.93 C -ATOM 6391 CD1 TYR C 235 83.872 -5.196 7.485 1.00 7.17 C -ATOM 6392 CE1 TYR C 235 82.927 -4.396 8.106 1.00 8.91 C -ATOM 6393 CZ TYR C 235 83.232 -3.107 8.476 1.00 8.47 C -ATOM 6394 OH TYR C 235 82.267 -2.341 9.097 1.00 11.25 O -ATOM 6395 CE2 TYR C 235 84.502 -2.626 8.198 1.00 8.33 C -ATOM 6396 CD2 TYR C 235 85.424 -3.421 7.550 1.00 7.21 C -ATOM 6397 C TYR C 235 87.809 -7.478 6.804 1.00 6.20 C -ATOM 6398 O TYR C 235 87.207 -8.314 6.130 1.00 7.64 O -ATOM 6399 N VAL C 236 89.139 -7.435 6.836 1.00 5.74 N -ATOM 6400 CA VAL C 236 89.934 -8.346 5.981 1.00 6.06 C -ATOM 6401 CB VAL C 236 91.351 -7.793 5.900 1.00 5.79 C -ATOM 6402 CG1 VAL C 236 92.263 -8.802 5.248 1.00 6.18 C -ATOM 6403 CG2 VAL C 236 91.344 -6.460 5.130 1.00 5.83 C -ATOM 6404 C VAL C 236 89.923 -9.776 6.497 1.00 5.98 C -ATOM 6405 O VAL C 236 90.431 -10.061 7.604 1.00 7.05 O -ATOM 6406 N ALA C 237 89.388 -10.654 5.672 1.00 5.77 N -ATOM 6407 CA ALA C 237 89.270 -12.114 5.940 1.00 5.60 C -ATOM 6408 CB ALA C 237 87.812 -12.505 6.064 1.00 5.68 C -ATOM 6409 C ALA C 237 89.938 -12.924 4.847 1.00 5.43 C -ATOM 6410 O ALA C 237 89.854 -14.136 4.861 1.00 5.71 O -ATOM 6411 N MET C 238 90.596 -12.248 3.924 1.00 5.36 N -ATOM 6412 CA MET C 238 91.221 -12.859 2.739 1.00 5.59 C -ATOM 6413 CB MET C 238 90.261 -12.891 1.551 1.00 5.68 C -ATOM 6414 CG MET C 238 89.039 -13.800 1.787 1.00 6.07 C -ATOM 6415 SD MET C 238 88.344 -14.277 0.235 1.00 6.69 S -ATOM 6416 CE MET C 238 86.994 -15.334 0.728 1.00 7.04 C -ATOM 6417 C MET C 238 92.429 -12.019 2.357 1.00 5.34 C -ATOM 6418 O MET C 238 92.473 -10.826 2.628 1.00 6.06 O -ATOM 6419 N ASN C 239 93.418 -12.653 1.722 1.00 5.01 N -ATOM 6420 CA ASN C 239 94.630 -11.910 1.342 1.00 5.98 C -ATOM 6421 CB ASN C 239 95.766 -12.119 2.372 1.00 6.11 C -ATOM 6422 CG ASN C 239 95.526 -11.380 3.658 1.00 6.27 C -ATOM 6423 OD1 ASN C 239 95.856 -10.188 3.702 1.00 7.48 O -ATOM 6424 ND2 ASN C 239 94.920 -12.035 4.623 1.00 5.37 N -ATOM 6425 C ASN C 239 95.054 -12.397 -0.028 1.00 6.17 C -ATOM 6426 O ASN C 239 95.015 -13.613 -0.300 1.00 6.31 O -ATOM 6427 N ASN C 240 95.554 -11.481 -0.832 1.00 5.70 N -ATOM 6428 CA ASN C 240 95.942 -11.719 -2.230 1.00 7.22 C -ATOM 6429 CB ASN C 240 95.149 -10.841 -3.190 1.00 9.57 C -ATOM 6430 CG ASN C 240 95.068 -11.572 -4.525 1.00 13.27 C -ATOM 6431 OD1 ASN C 240 94.701 -12.762 -4.639 1.00 14.29 O -ATOM 6432 ND2 ASN C 240 95.544 -10.910 -5.556 1.00 17.56 N -ATOM 6433 C ASN C 240 97.439 -11.490 -2.428 1.00 6.23 C -ATOM 6434 O ASN C 240 97.922 -10.399 -2.153 1.00 7.20 O -ATOM 6435 N MET C 241 98.136 -12.498 -2.899 1.00 7.02 N -ATOM 6436 CA MET C 241 99.614 -12.503 -2.993 1.00 7.45 C -ATOM 6437 CB MET C 241 100.196 -13.548 -2.037 1.00 8.49 C -ATOM 6438 CG MET C 241 100.082 -13.151 -0.587 1.00 9.13 C -ATOM 6439 SD MET C 241 100.007 -14.537 0.576 1.00 10.32 S -ATOM 6440 CE MET C 241 98.330 -15.095 0.368 1.00 9.45 C -ATOM 6441 C MET C 241 100.015 -12.900 -4.389 1.00 7.90 C -ATOM 6442 O MET C 241 99.547 -13.940 -4.898 1.00 8.79 O -ATOM 6443 N GLY C 242 100.957 -12.130 -4.922 1.00 8.67 N -ATOM 6444 CA GLY C 242 101.751 -12.566 -6.079 1.00 9.56 C -ATOM 6445 C GLY C 242 102.792 -13.601 -5.666 1.00 9.60 C -ATOM 6446 O GLY C 242 103.024 -13.876 -4.501 1.00 10.14 O -ATOM 6447 N LYS C 243 103.464 -14.156 -6.670 1.00 9.95 N -ATOM 6448 CA LYS C 243 104.481 -15.220 -6.542 1.00 11.91 C -ATOM 6449 CB LYS C 243 105.203 -15.398 -7.886 1.00 13.74 C -ATOM 6450 CG LYS C 243 106.441 -16.277 -7.903 1.00 14.61 C -ATOM 6451 CD LYS C 243 106.902 -16.519 -9.334 1.00 16.77 C -ATOM 6452 CE LYS C 243 108.135 -17.381 -9.412 1.00 16.79 C -ATOM 6453 NZ LYS C 243 108.781 -17.264 -10.733 1.00 18.19 N -ATOM 6454 C LYS C 243 105.522 -14.856 -5.477 1.00 11.01 C -ATOM 6455 O LYS C 243 105.841 -15.680 -4.655 1.00 12.62 O -ATOM 6456 N GLY C 244 106.026 -13.638 -5.545 1.00 10.41 N -ATOM 6457 CA GLY C 244 107.140 -13.161 -4.689 1.00 11.04 C -ATOM 6458 C GLY C 244 106.675 -12.903 -3.270 1.00 12.00 C -ATOM 6459 O GLY C 244 107.526 -12.681 -2.432 1.00 14.51 O -ATOM 6460 N ASP C 245 105.371 -12.892 -3.025 1.00 10.58 N -ATOM 6461 CA ASP C 245 104.778 -12.554 -1.703 1.00 11.02 C -ATOM 6462 CB ASP C 245 103.820 -11.384 -1.892 1.00 12.65 C -ATOM 6463 CG ASP C 245 104.559 -10.089 -2.249 1.00 13.23 C -ATOM 6464 OD1 ASP C 245 105.595 -9.778 -1.621 1.00 17.61 O -ATOM 6465 OD2 ASP C 245 104.155 -9.430 -3.184 1.00 15.36 O -ATOM 6466 C ASP C 245 104.133 -13.796 -1.072 1.00 9.75 C -ATOM 6467 O ASP C 245 103.519 -13.681 -0.014 1.00 9.33 O -ATOM 6468 N LYS C 246 104.344 -14.984 -1.624 1.00 9.24 N -ATOM 6469 CA LYS C 246 103.565 -16.155 -1.156 1.00 9.10 C -ATOM 6470 CB LYS C 246 103.692 -17.339 -2.106 1.00 9.17 C -ATOM 6471 CG LYS C 246 105.088 -17.905 -2.257 1.00 9.86 C -ATOM 6472 CD LYS C 246 105.059 -19.152 -3.100 1.00 9.77 C -ATOM 6473 CE LYS C 246 106.384 -19.861 -3.230 1.00 10.99 C -ATOM 6474 NZ LYS C 246 106.200 -21.071 -4.058 1.00 11.52 N -ATOM 6475 C LYS C 246 104.007 -16.571 0.257 1.00 9.50 C -ATOM 6476 O LYS C 246 103.275 -17.340 0.843 1.00 9.60 O -ATOM 6477 N SER C 247 105.193 -16.173 0.737 1.00 9.74 N -ATOM 6478 CA SER C 247 105.622 -16.459 2.125 1.00 10.42 C -ATOM 6479 CB SER C 247 106.952 -15.834 2.447 1.00 11.98 C -ATOM 6480 OG SER C 247 106.863 -14.425 2.430 1.00 15.79 O -ATOM 6481 C SER C 247 104.525 -16.004 3.093 1.00 9.98 C -ATOM 6482 O SER C 247 104.377 -16.614 4.177 1.00 10.98 O -ATOM 6483 N TRP C 248 103.742 -14.983 2.735 1.00 8.47 N -ATOM 6484 CA TRP C 248 102.713 -14.448 3.654 1.00 8.61 C -ATOM 6485 CB TRP C 248 102.311 -13.026 3.235 1.00 8.22 C -ATOM 6486 CG TRP C 248 103.431 -12.076 3.358 1.00 8.41 C -ATOM 6487 CD1 TRP C 248 104.176 -11.563 2.357 1.00 9.12 C -ATOM 6488 NE1 TRP C 248 105.188 -10.819 2.868 1.00 9.81 N -ATOM 6489 CE2 TRP C 248 105.130 -10.864 4.238 1.00 8.98 C -ATOM 6490 CD2 TRP C 248 104.042 -11.676 4.586 1.00 8.25 C -ATOM 6491 CE3 TRP C 248 103.763 -11.897 5.937 1.00 9.81 C -ATOM 6492 CZ3 TRP C 248 104.569 -11.336 6.900 1.00 10.04 C -ATOM 6493 CH2 TRP C 248 105.643 -10.537 6.553 1.00 11.13 C -ATOM 6494 CZ2 TRP C 248 105.945 -10.294 5.228 1.00 10.96 C -ATOM 6495 C TRP C 248 101.516 -15.386 3.783 1.00 8.22 C -ATOM 6496 O TRP C 248 100.676 -15.153 4.666 1.00 7.74 O -ATOM 6497 N ALA C 249 101.395 -16.400 2.932 1.00 9.15 N -ATOM 6498 CA ALA C 249 100.241 -17.313 3.042 1.00 8.22 C -ATOM 6499 CB ALA C 249 100.244 -18.287 1.906 1.00 8.96 C -ATOM 6500 C ALA C 249 100.275 -18.034 4.387 1.00 7.52 C -ATOM 6501 O ALA C 249 99.224 -18.372 4.890 1.00 7.72 O -ATOM 6502 N LYS C 250 101.457 -18.320 4.929 1.00 7.87 N -ATOM 6503 CA LYS C 250 101.531 -18.915 6.284 1.00 8.68 C -ATOM 6504 CB LYS C 250 102.997 -19.119 6.679 1.00 10.95 C -ATOM 6505 CG LYS C 250 103.822 -20.095 5.845 1.00 14.32 C -ATOM 6506 CD LYS C 250 105.287 -20.160 6.300 1.00 16.89 C -ATOM 6507 CE LYS C 250 106.204 -20.799 5.284 1.00 21.48 C -ATOM 6508 NZ LYS C 250 106.237 -19.994 4.047 1.00 21.22 N -ATOM 6509 C LYS C 250 100.834 -17.997 7.303 1.00 7.17 C -ATOM 6510 O LYS C 250 100.228 -18.506 8.238 1.00 8.31 O -ATOM 6511 N GLN C 251 100.997 -16.698 7.167 1.00 6.69 N -ATOM 6512 CA GLN C 251 100.324 -15.754 8.071 1.00 6.57 C -ATOM 6513 CB GLN C 251 100.950 -14.378 7.993 1.00 6.80 C -ATOM 6514 CG GLN C 251 102.287 -14.307 8.718 1.00 7.20 C -ATOM 6515 CD GLN C 251 102.147 -14.398 10.214 1.00 7.48 C -ATOM 6516 OE1 GLN C 251 101.109 -14.002 10.794 1.00 7.21 O -ATOM 6517 NE2 GLN C 251 103.173 -14.885 10.886 1.00 8.38 N -ATOM 6518 C GLN C 251 98.818 -15.720 7.783 1.00 6.40 C -ATOM 6519 O GLN C 251 98.026 -15.672 8.746 1.00 6.92 O -ATOM 6520 N ALA C 252 98.389 -15.710 6.524 1.00 6.77 N -ATOM 6521 CA ALA C 252 96.957 -15.807 6.225 1.00 6.77 C -ATOM 6522 CB ALA C 252 96.688 -15.766 4.738 1.00 7.00 C -ATOM 6523 C ALA C 252 96.406 -17.061 6.894 1.00 6.41 C -ATOM 6524 O ALA C 252 95.364 -17.000 7.578 1.00 6.76 O -ATOM 6525 N PHE C 253 97.104 -18.159 6.746 1.00 6.95 N -ATOM 6526 CA PHE C 253 96.671 -19.446 7.331 1.00 7.51 C -ATOM 6527 CB PHE C 253 97.673 -20.533 6.952 1.00 8.61 C -ATOM 6528 CG PHE C 253 97.385 -21.856 7.599 1.00 9.34 C -ATOM 6529 CD1 PHE C 253 96.532 -22.785 7.023 1.00 11.04 C -ATOM 6530 CE1 PHE C 253 96.247 -23.972 7.679 1.00 12.76 C -ATOM 6531 CZ PHE C 253 96.862 -24.264 8.875 1.00 12.89 C -ATOM 6532 CD2 PHE C 253 97.996 -22.160 8.817 1.00 10.84 C -ATOM 6533 CE2 PHE C 253 97.736 -23.365 9.452 1.00 13.03 C -ATOM 6534 C PHE C 253 96.570 -19.310 8.850 1.00 7.43 C -ATOM 6535 O PHE C 253 95.591 -19.762 9.434 1.00 7.70 O -ATOM 6536 N ALA C 254 97.562 -18.697 9.476 1.00 7.01 N -ATOM 6537 CA ALA C 254 97.572 -18.515 10.952 1.00 7.36 C -ATOM 6538 CB ALA C 254 98.829 -17.793 11.389 1.00 6.84 C -ATOM 6539 C ALA C 254 96.355 -17.700 11.400 1.00 7.21 C -ATOM 6540 O ALA C 254 95.832 -17.933 12.511 1.00 8.18 O -ATOM 6541 N TYR C 255 95.925 -16.723 10.615 1.00 7.17 N -ATOM 6542 CA TYR C 255 94.817 -15.814 10.952 1.00 6.52 C -ATOM 6543 CB TYR C 255 95.141 -14.432 10.402 1.00 6.69 C -ATOM 6544 CG TYR C 255 95.929 -13.617 11.390 1.00 6.36 C -ATOM 6545 CD2 TYR C 255 95.295 -12.707 12.196 1.00 6.66 C -ATOM 6546 CE2 TYR C 255 95.977 -11.949 13.125 1.00 6.84 C -ATOM 6547 CZ TYR C 255 97.348 -12.121 13.291 1.00 6.52 C -ATOM 6548 OH TYR C 255 98.002 -11.368 14.243 1.00 6.70 O -ATOM 6549 CE1 TYR C 255 98.015 -12.994 12.461 1.00 6.60 C -ATOM 6550 CD1 TYR C 255 97.317 -13.723 11.522 1.00 6.60 C -ATOM 6551 C TYR C 255 93.482 -16.335 10.422 1.00 6.22 C -ATOM 6552 O TYR C 255 92.493 -15.642 10.542 1.00 6.43 O -ATOM 6553 N SER C 256 93.442 -17.534 9.842 1.00 6.78 N -ATOM 6554 CA SER C 256 92.190 -18.043 9.221 1.00 6.68 C -ATOM 6555 CB SER C 256 91.152 -18.385 10.295 1.00 7.17 C -ATOM 6556 OG SER C 256 91.603 -19.456 11.064 1.00 7.80 O -ATOM 6557 C SER C 256 91.682 -17.011 8.205 1.00 6.44 C -ATOM 6558 O SER C 256 90.442 -16.864 8.051 1.00 6.54 O -ATOM 6559 N HIS C 257 92.564 -16.394 7.441 1.00 5.89 N -ATOM 6560 CA HIS C 257 92.159 -15.648 6.247 1.00 5.72 C -ATOM 6561 CB HIS C 257 93.039 -14.427 6.074 1.00 5.51 C -ATOM 6562 CG HIS C 257 92.923 -13.392 7.134 1.00 5.82 C -ATOM 6563 ND1 HIS C 257 93.575 -12.180 7.018 1.00 5.73 N -ATOM 6564 CE1 HIS C 257 93.376 -11.485 8.103 1.00 5.76 C -ATOM 6565 NE2 HIS C 257 92.573 -12.164 8.920 1.00 5.33 N -ATOM 6566 CD2 HIS C 257 92.285 -13.351 8.327 1.00 5.33 C -ATOM 6567 C HIS C 257 92.369 -16.557 5.043 1.00 5.97 C -ATOM 6568 O HIS C 257 93.354 -17.272 4.973 1.00 6.31 O -ATOM 6569 N ILE C 258 91.504 -16.426 4.048 1.00 5.68 N -ATOM 6570 CA ILE C 258 91.678 -17.220 2.808 1.00 5.80 C -ATOM 6571 CB ILE C 258 90.357 -17.393 2.057 1.00 6.66 C -ATOM 6572 CG1 ILE C 258 89.235 -17.902 2.974 1.00 6.68 C -ATOM 6573 CG2 ILE C 258 90.573 -18.260 0.809 1.00 7.14 C -ATOM 6574 CD1 ILE C 258 89.522 -19.230 3.614 1.00 7.39 C -ATOM 6575 C ILE C 258 92.756 -16.589 1.930 1.00 5.73 C -ATOM 6576 O ILE C 258 92.533 -15.496 1.347 1.00 5.92 O -ATOM 6577 N GLY C 259 93.898 -17.274 1.818 1.00 5.62 N -ATOM 6578 CA GLY C 259 95.017 -16.787 1.010 1.00 6.00 C -ATOM 6579 C GLY C 259 94.926 -17.261 -0.418 1.00 6.40 C -ATOM 6580 O GLY C 259 94.737 -18.452 -0.615 1.00 7.55 O -ATOM 6581 N ARG C 260 95.184 -16.391 -1.374 1.00 6.62 N -ATOM 6582 CA ARG C 260 95.293 -16.742 -2.798 1.00 6.76 C -ATOM 6583 CB ARG C 260 94.177 -16.064 -3.582 1.00 7.20 C -ATOM 6584 CG ARG C 260 94.202 -16.378 -5.071 1.00 7.75 C -ATOM 6585 CD ARG C 260 92.880 -16.080 -5.737 1.00 9.09 C -ATOM 6586 NE ARG C 260 92.869 -16.287 -7.167 1.00 10.57 N -ATOM 6587 CZ ARG C 260 93.390 -15.454 -8.062 1.00 12.51 C -ATOM 6588 NH1 ARG C 260 94.053 -14.380 -7.682 1.00 11.52 N -ATOM 6589 NH2 ARG C 260 93.278 -15.760 -9.348 1.00 13.18 N -ATOM 6590 C ARG C 260 96.643 -16.318 -3.292 1.00 6.49 C -ATOM 6591 O ARG C 260 97.098 -15.212 -2.978 1.00 7.01 O -ATOM 6592 N VAL C 261 97.299 -17.202 -4.041 1.00 6.28 N -ATOM 6593 CA VAL C 261 98.601 -16.889 -4.665 1.00 6.74 C -ATOM 6594 CB VAL C 261 99.730 -17.783 -4.132 1.00 6.88 C -ATOM 6595 CG1 VAL C 261 100.999 -17.623 -4.945 1.00 7.85 C -ATOM 6596 CG2 VAL C 261 99.981 -17.477 -2.666 1.00 7.39 C -ATOM 6597 C VAL C 261 98.426 -17.046 -6.157 1.00 6.80 C -ATOM 6598 O VAL C 261 98.052 -18.133 -6.620 1.00 7.32 O -ATOM 6599 N TRP C 262 98.783 -16.010 -6.894 1.00 7.04 N -ATOM 6600 CA TRP C 262 98.746 -16.000 -8.368 1.00 7.68 C -ATOM 6601 CB TRP C 262 97.788 -14.900 -8.842 1.00 8.57 C -ATOM 6602 CG TRP C 262 98.166 -13.520 -8.427 1.00 10.76 C -ATOM 6603 CD1 TRP C 262 97.773 -12.916 -7.278 1.00 11.96 C -ATOM 6604 NE1 TRP C 262 98.355 -11.677 -7.193 1.00 13.40 N -ATOM 6605 CE2 TRP C 262 99.128 -11.450 -8.300 1.00 15.33 C -ATOM 6606 CD2 TRP C 262 99.032 -12.605 -9.112 1.00 13.19 C -ATOM 6607 CE3 TRP C 262 99.707 -12.635 -10.341 1.00 16.01 C -ATOM 6608 CZ3 TRP C 262 100.444 -11.526 -10.723 1.00 17.23 C -ATOM 6609 CH2 TRP C 262 100.507 -10.388 -9.912 1.00 18.79 C -ATOM 6610 CZ2 TRP C 262 99.852 -10.326 -8.704 1.00 17.26 C -ATOM 6611 C TRP C 262 100.157 -15.818 -8.933 1.00 7.95 C -ATOM 6612 O TRP C 262 101.045 -15.253 -8.270 1.00 9.28 O -ATOM 6613 N GLY C 263 100.326 -16.311 -10.153 1.00 8.38 N -ATOM 6614 CA GLY C 263 101.556 -16.131 -10.944 1.00 9.17 C -ATOM 6615 C GLY C 263 102.610 -17.155 -10.592 1.00 9.31 C -ATOM 6616 O GLY C 263 103.767 -16.973 -11.025 1.00 11.55 O -ATOM 6617 N ASP C 264 102.288 -18.175 -9.803 1.00 8.49 N -ATOM 6618 CA ASP C 264 103.290 -19.171 -9.352 1.00 9.21 C -ATOM 6619 CB ASP C 264 103.266 -19.326 -7.834 1.00 9.47 C -ATOM 6620 CG ASP C 264 104.571 -19.896 -7.301 1.00 9.87 C -ATOM 6621 OD1 ASP C 264 105.626 -19.690 -7.933 1.00 11.24 O -ATOM 6622 OD2 ASP C 264 104.531 -20.502 -6.199 1.00 10.10 O -ATOM 6623 C ASP C 264 103.083 -20.511 -10.057 1.00 9.44 C -ATOM 6624 O ASP C 264 103.156 -21.569 -9.383 1.00 9.85 O -ATOM 6625 N ASP C 265 102.874 -20.487 -11.373 1.00 9.37 N -ATOM 6626 CA ASP C 265 102.373 -21.649 -12.153 1.00 9.92 C -ATOM 6627 CB ASP C 265 102.020 -21.225 -13.579 1.00 11.14 C -ATOM 6628 CG ASP C 265 100.873 -20.241 -13.579 1.00 11.48 C -ATOM 6629 OD2 ASP C 265 99.754 -20.671 -13.995 1.00 11.46 O -ATOM 6630 OD1 ASP C 265 101.082 -19.075 -13.206 1.00 11.86 O -ATOM 6631 C ASP C 265 103.380 -22.789 -12.196 1.00 10.90 C -ATOM 6632 O ASP C 265 102.935 -23.915 -12.477 1.00 11.78 O -ATOM 6633 N GLU C 266 104.659 -22.522 -11.985 1.00 10.07 N -ATOM 6634 CA GLU C 266 105.699 -23.565 -12.111 1.00 11.32 C -ATOM 6635 CB GLU C 266 107.055 -22.952 -12.385 1.00 12.45 C -ATOM 6636 CG GLU C 266 107.033 -22.155 -13.670 1.00 14.88 C -ATOM 6637 CD GLU C 266 108.379 -21.606 -14.060 1.00 18.20 C -ATOM 6638 OE1 GLU C 266 108.982 -20.907 -13.247 1.00 21.95 O -ATOM 6639 OE2 GLU C 266 108.831 -21.908 -15.175 1.00 19.92 O -ATOM 6640 C GLU C 266 105.790 -24.405 -10.852 1.00 11.26 C -ATOM 6641 O GLU C 266 106.501 -25.433 -10.882 1.00 12.57 O -ATOM 6642 N VAL C 267 105.074 -24.038 -9.786 1.00 10.19 N -ATOM 6643 CA VAL C 267 105.116 -24.750 -8.481 1.00 10.63 C -ATOM 6644 CB VAL C 267 105.277 -23.727 -7.346 1.00 9.89 C -ATOM 6645 CG1 VAL C 267 105.099 -24.364 -5.975 1.00 10.97 C -ATOM 6646 CG2 VAL C 267 106.644 -23.059 -7.461 1.00 11.12 C -ATOM 6647 C VAL C 267 103.864 -25.601 -8.401 1.00 10.63 C -ATOM 6648 O VAL C 267 102.773 -25.090 -8.722 1.00 12.92 O -ATOM 6649 N SER C 268 103.988 -26.883 -8.041 1.00 10.99 N -ATOM 6650 CA SER C 268 102.903 -27.889 -7.968 1.00 11.29 C -ATOM 6651 CB SER C 268 103.426 -29.274 -7.669 1.00 12.34 C -ATOM 6652 OG SER C 268 103.892 -29.303 -6.347 1.00 14.81 O -ATOM 6653 C SER C 268 101.848 -27.508 -6.922 1.00 10.06 C -ATOM 6654 O SER C 268 102.129 -26.812 -5.924 1.00 10.61 O -ATOM 6655 N PHE C 269 100.685 -28.093 -7.077 1.00 10.55 N -ATOM 6656 CA PHE C 269 99.611 -27.973 -6.066 1.00 11.41 C -ATOM 6657 CB PHE C 269 98.360 -28.666 -6.566 1.00 11.12 C -ATOM 6658 CG PHE C 269 97.155 -28.605 -5.660 1.00 10.52 C -ATOM 6659 CD1 PHE C 269 96.852 -27.476 -4.879 1.00 11.06 C -ATOM 6660 CE1 PHE C 269 95.695 -27.440 -4.111 1.00 10.90 C -ATOM 6661 CZ PHE C 269 94.862 -28.523 -4.062 1.00 10.99 C -ATOM 6662 CD2 PHE C 269 96.284 -29.673 -5.607 1.00 10.62 C -ATOM 6663 CE2 PHE C 269 95.160 -29.654 -4.781 1.00 11.26 C -ATOM 6664 C PHE C 269 100.131 -28.506 -4.727 1.00 10.81 C -ATOM 6665 O PHE C 269 99.930 -27.852 -3.675 1.00 10.93 O -ATOM 6666 N ALA C 270 100.840 -29.640 -4.723 1.00 10.96 N -ATOM 6667 CA ALA C 270 101.357 -30.250 -3.468 1.00 11.00 C -ATOM 6668 CB ALA C 270 102.022 -31.603 -3.721 1.00 12.21 C -ATOM 6669 C ALA C 270 102.306 -29.271 -2.780 1.00 10.73 C -ATOM 6670 O ALA C 270 102.221 -29.126 -1.547 1.00 12.13 O -ATOM 6671 N GLN C 271 103.160 -28.585 -3.527 1.00 10.28 N -ATOM 6672 CA GLN C 271 104.120 -27.651 -2.906 1.00 11.75 C -ATOM 6673 CB GLN C 271 105.149 -27.176 -3.918 1.00 13.44 C -ATOM 6674 CG GLN C 271 106.190 -28.222 -4.298 1.00 18.78 C -ATOM 6675 CD GLN C 271 107.088 -27.846 -5.454 1.00 21.26 C -ATOM 6676 OE1 GLN C 271 106.640 -27.488 -6.556 1.00 25.09 O -ATOM 6677 NE2 GLN C 271 108.377 -28.067 -5.252 1.00 21.12 N -ATOM 6678 C GLN C 271 103.325 -26.492 -2.288 1.00 10.13 C -ATOM 6679 O GLN C 271 103.617 -26.079 -1.158 1.00 12.01 O -ATOM 6680 N HIS C 272 102.353 -25.934 -3.023 1.00 10.09 N -ATOM 6681 CA HIS C 272 101.509 -24.822 -2.527 1.00 9.18 C -ATOM 6682 CB HIS C 272 100.568 -24.385 -3.628 1.00 8.83 C -ATOM 6683 CG HIS C 272 101.257 -23.541 -4.634 1.00 8.89 C -ATOM 6684 ND1 HIS C 272 100.995 -23.617 -5.985 1.00 9.20 N -ATOM 6685 CE1 HIS C 272 101.726 -22.733 -6.611 1.00 9.55 C -ATOM 6686 NE2 HIS C 272 102.519 -22.124 -5.730 1.00 10.06 N -ATOM 6687 CD2 HIS C 272 102.279 -22.691 -4.514 1.00 9.48 C -ATOM 6688 C HIS C 272 100.712 -25.207 -1.289 1.00 10.25 C -ATOM 6689 O HIS C 272 100.587 -24.385 -0.387 1.00 9.43 O -ATOM 6690 N ILE C 273 100.275 -26.443 -1.185 1.00 9.59 N -ATOM 6691 CA ILE C 273 99.620 -26.959 0.053 1.00 11.05 C -ATOM 6692 CB ILE C 273 99.134 -28.384 -0.186 1.00 11.65 C -ATOM 6693 CG1 ILE C 273 97.976 -28.331 -1.185 1.00 13.23 C -ATOM 6694 CG2 ILE C 273 98.769 -29.044 1.146 1.00 11.90 C -ATOM 6695 CD1 ILE C 273 97.645 -29.621 -1.794 1.00 13.97 C -ATOM 6696 C ILE C 273 100.588 -26.856 1.233 1.00 10.72 C -ATOM 6697 O ILE C 273 100.203 -26.407 2.314 1.00 11.33 O -ATOM 6698 N ASN C 274 101.832 -27.288 1.030 1.00 11.76 N -ATOM 6699 CA ASN C 274 102.856 -27.246 2.098 1.00 11.76 C -ATOM 6700 CB ASN C 274 104.139 -27.936 1.628 1.00 14.63 C -ATOM 6701 CG ASN C 274 103.958 -29.405 1.304 1.00 17.55 C -ATOM 6702 OD1 ASN C 274 104.684 -29.932 0.455 1.00 28.32 O -ATOM 6703 ND2 ASN C 274 103.053 -30.101 1.979 1.00 18.46 N -ATOM 6704 C ASN C 274 103.077 -25.794 2.514 1.00 12.92 C -ATOM 6705 O ASN C 274 103.320 -25.558 3.699 1.00 12.72 O -ATOM 6706 N GLN C 275 102.896 -24.856 1.576 1.00 11.44 N -ATOM 6707 CA GLN C 275 103.092 -23.406 1.778 1.00 11.25 C -ATOM 6708 CB GLN C 275 103.566 -22.815 0.466 1.00 11.00 C -ATOM 6709 CG GLN C 275 104.958 -23.337 0.138 1.00 11.59 C -ATOM 6710 CD GLN C 275 105.458 -23.013 -1.246 1.00 13.37 C -ATOM 6711 OE1 GLN C 275 104.701 -22.653 -2.150 1.00 12.35 O -ATOM 6712 NE2 GLN C 275 106.772 -23.142 -1.411 1.00 15.84 N -ATOM 6713 C GLN C 275 101.824 -22.746 2.324 1.00 10.32 C -ATOM 6714 O GLN C 275 101.822 -21.564 2.469 1.00 10.92 O -ATOM 6715 N LYS C 276 100.836 -23.536 2.664 1.00 9.38 N -ATOM 6716 CA LYS C 276 99.628 -23.102 3.408 1.00 9.32 C -ATOM 6717 CB LYS C 276 100.011 -22.509 4.762 1.00 11.31 C -ATOM 6718 CG LYS C 276 100.802 -23.488 5.621 1.00 14.26 C -ATOM 6719 CD LYS C 276 99.938 -24.612 6.122 1.00 16.73 C -ATOM 6720 CE LYS C 276 100.685 -25.672 6.912 1.00 19.25 C -ATOM 6721 NZ LYS C 276 99.785 -26.807 7.205 1.00 21.04 N -ATOM 6722 C LYS C 276 98.776 -22.138 2.593 1.00 7.80 C -ATOM 6723 O LYS C 276 98.166 -21.224 3.172 1.00 8.00 O -ATOM 6724 N ILE C 277 98.738 -22.362 1.288 1.00 8.26 N -ATOM 6725 CA ILE C 277 97.967 -21.515 0.341 1.00 7.46 C -ATOM 6726 CB ILE C 277 98.724 -21.355 -0.989 1.00 7.66 C -ATOM 6727 CG1 ILE C 277 100.037 -20.633 -0.764 1.00 7.68 C -ATOM 6728 CG2 ILE C 277 97.871 -20.600 -1.968 1.00 7.43 C -ATOM 6729 CD1 ILE C 277 101.062 -20.953 -1.828 1.00 7.93 C -ATOM 6730 C ILE C 277 96.579 -22.107 0.147 1.00 7.63 C -ATOM 6731 O ILE C 277 96.471 -23.224 -0.358 1.00 7.91 O -ATOM 6732 N ASN C 278 95.524 -21.357 0.474 1.00 6.72 N -ATOM 6733 CA ASN C 278 94.150 -21.874 0.227 1.00 6.68 C -ATOM 6734 CB ASN C 278 93.088 -21.005 0.877 1.00 6.29 C -ATOM 6735 CG ASN C 278 93.071 -21.182 2.380 1.00 6.38 C -ATOM 6736 OD1 ASN C 278 92.614 -22.237 2.894 1.00 7.96 O -ATOM 6737 ND2 ASN C 278 93.548 -20.201 3.097 1.00 5.19 N -ATOM 6738 C ASN C 278 93.821 -21.947 -1.264 1.00 6.52 C -ATOM 6739 O ASN C 278 93.235 -22.925 -1.687 1.00 7.40 O -ATOM 6740 N LEU C 279 94.150 -20.920 -2.022 1.00 6.67 N -ATOM 6741 CA LEU C 279 93.729 -20.806 -3.437 1.00 6.54 C -ATOM 6742 CB LEU C 279 92.723 -19.663 -3.623 1.00 6.25 C -ATOM 6743 CG LEU C 279 91.512 -19.671 -2.694 1.00 6.47 C -ATOM 6744 CD1 LEU C 279 90.661 -18.428 -2.923 1.00 6.61 C -ATOM 6745 CD2 LEU C 279 90.660 -20.920 -2.796 1.00 6.73 C -ATOM 6746 C LEU C 279 94.952 -20.586 -4.324 1.00 6.73 C -ATOM 6747 O LEU C 279 95.545 -19.514 -4.247 1.00 6.95 O -ATOM 6748 N SER C 280 95.381 -21.608 -5.027 1.00 6.66 N -ATOM 6749 CA SER C 280 96.580 -21.541 -5.877 1.00 7.05 C -ATOM 6750 CB SER C 280 97.413 -22.798 -5.801 1.00 7.38 C -ATOM 6751 OG SER C 280 98.002 -22.974 -4.514 1.00 8.51 O -ATOM 6752 C SER C 280 96.090 -21.304 -7.305 1.00 7.27 C -ATOM 6753 O SER C 280 95.533 -22.212 -7.885 1.00 7.30 O -ATOM 6754 N ALA C 281 96.324 -20.125 -7.860 1.00 7.38 N -ATOM 6755 CA ALA C 281 95.736 -19.772 -9.169 1.00 7.25 C -ATOM 6756 CB ALA C 281 95.445 -18.289 -9.257 1.00 7.38 C -ATOM 6757 C ALA C 281 96.684 -20.186 -10.295 1.00 7.13 C -ATOM 6758 O ALA C 281 97.863 -19.829 -10.309 1.00 7.99 O -ATOM 6759 N TYR C 282 96.178 -20.926 -11.236 1.00 6.78 N -ATOM 6760 CA TYR C 282 96.916 -21.390 -12.423 1.00 6.87 C -ATOM 6761 CB TYR C 282 97.080 -22.887 -12.404 1.00 7.71 C -ATOM 6762 CG TYR C 282 97.884 -23.426 -11.262 1.00 7.98 C -ATOM 6763 CD2 TYR C 282 99.241 -23.690 -11.444 1.00 7.99 C -ATOM 6764 CE2 TYR C 282 100.019 -24.244 -10.421 1.00 8.38 C -ATOM 6765 CZ TYR C 282 99.438 -24.557 -9.206 1.00 8.64 C -ATOM 6766 OH TYR C 282 100.119 -25.132 -8.155 1.00 9.84 O -ATOM 6767 CE1 TYR C 282 98.092 -24.320 -9.033 1.00 8.48 C -ATOM 6768 CD1 TYR C 282 97.332 -23.728 -10.041 1.00 8.35 C -ATOM 6769 C TYR C 282 96.178 -21.035 -13.703 1.00 7.37 C -ATOM 6770 O TYR C 282 94.969 -21.233 -13.802 1.00 7.42 O -ATOM 6771 N TYR C 283 96.928 -20.520 -14.667 1.00 7.15 N -ATOM 6772 CA TYR C 283 96.373 -20.442 -16.044 1.00 7.89 C -ATOM 6773 CB TYR C 283 97.407 -19.938 -17.034 1.00 9.38 C -ATOM 6774 CG TYR C 283 97.850 -18.530 -16.796 1.00 9.72 C -ATOM 6775 CD1 TYR C 283 96.974 -17.465 -16.900 1.00 11.73 C -ATOM 6776 CE1 TYR C 283 97.412 -16.155 -16.764 1.00 12.92 C -ATOM 6777 CZ TYR C 283 98.745 -15.907 -16.520 1.00 13.42 C -ATOM 6778 OH TYR C 283 99.259 -14.652 -16.351 1.00 16.22 O -ATOM 6779 CE2 TYR C 283 99.625 -16.952 -16.345 1.00 12.62 C -ATOM 6780 CD2 TYR C 283 99.170 -18.250 -16.520 1.00 11.27 C -ATOM 6781 C TYR C 283 95.843 -21.795 -16.513 1.00 7.66 C -ATOM 6782 O TYR C 283 94.726 -21.878 -17.017 1.00 7.40 O -ATOM 6783 N ARG C 284 96.630 -22.840 -16.369 1.00 7.76 N -ATOM 6784 CA ARG C 284 96.289 -24.211 -16.805 1.00 8.59 C -ATOM 6785 CB ARG C 284 97.482 -24.846 -17.501 1.00 10.09 C -ATOM 6786 CG ARG C 284 97.957 -24.068 -18.721 1.00 12.08 C -ATOM 6787 CD ARG C 284 99.443 -24.371 -18.895 1.00 18.71 C -ATOM 6788 NE ARG C 284 100.201 -23.290 -19.519 1.00 22.97 N -ATOM 6789 CZ ARG C 284 100.088 -22.911 -20.798 1.00 19.57 C -ATOM 6790 NH1 ARG C 284 99.201 -23.465 -21.594 1.00 26.57 N -ATOM 6791 NH2 ARG C 284 100.814 -21.911 -21.255 1.00 26.92 N -ATOM 6792 C ARG C 284 95.875 -25.022 -15.577 1.00 8.09 C -ATOM 6793 O ARG C 284 96.562 -25.931 -15.099 1.00 9.22 O -ATOM 6794 N PHE C 285 94.710 -24.710 -15.046 1.00 7.99 N -ATOM 6795 CA PHE C 285 94.229 -25.253 -13.769 1.00 8.41 C -ATOM 6796 CB PHE C 285 92.983 -24.501 -13.300 1.00 8.45 C -ATOM 6797 CG PHE C 285 91.988 -24.319 -14.408 1.00 8.36 C -ATOM 6798 CD1 PHE C 285 91.060 -25.306 -14.675 1.00 8.11 C -ATOM 6799 CE1 PHE C 285 90.160 -25.153 -15.701 1.00 9.29 C -ATOM 6800 CZ PHE C 285 90.205 -24.046 -16.513 1.00 9.21 C -ATOM 6801 CD2 PHE C 285 91.972 -23.167 -15.180 1.00 7.85 C -ATOM 6802 CE2 PHE C 285 91.108 -23.052 -16.256 1.00 8.88 C -ATOM 6803 C PHE C 285 93.986 -26.755 -13.915 1.00 8.09 C -ATOM 6804 O PHE C 285 94.199 -27.499 -12.954 1.00 8.36 O -ATOM 6805 N ALA C 286 93.517 -27.227 -15.069 1.00 7.91 N -ATOM 6806 CA ALA C 286 93.121 -28.649 -15.212 1.00 8.76 C -ATOM 6807 CB ALA C 286 92.423 -28.912 -16.497 1.00 9.45 C -ATOM 6808 C ALA C 286 94.361 -29.543 -15.101 1.00 9.45 C -ATOM 6809 O ALA C 286 94.216 -30.703 -14.747 1.00 11.34 O -ATOM 6810 N ALA C 287 95.528 -29.014 -15.410 1.00 8.84 N -ATOM 6811 CA ALA C 287 96.785 -29.800 -15.395 1.00 10.29 C -ATOM 6812 CB ALA C 287 97.778 -29.117 -16.302 1.00 11.38 C -ATOM 6813 C ALA C 287 97.328 -30.010 -13.981 1.00 10.12 C -ATOM 6814 O ALA C 287 98.306 -30.784 -13.837 1.00 11.94 O -ATOM 6815 N GLN C 288 96.735 -29.366 -12.981 1.00 9.14 N -ATOM 6816 CA GLN C 288 97.231 -29.456 -11.598 1.00 9.87 C -ATOM 6817 CB GLN C 288 97.128 -28.091 -10.920 1.00 9.83 C -ATOM 6818 CG GLN C 288 97.635 -26.924 -11.734 1.00 11.11 C -ATOM 6819 CD GLN C 288 98.997 -27.076 -12.333 1.00 12.48 C -ATOM 6820 OE1 GLN C 288 99.934 -27.523 -11.678 1.00 13.18 O -ATOM 6821 NE2 GLN C 288 99.139 -26.615 -13.567 1.00 14.81 N -ATOM 6822 C GLN C 288 96.395 -30.483 -10.835 1.00 9.98 C -ATOM 6823 O GLN C 288 95.160 -30.612 -11.025 1.00 11.67 O -ATOM 6824 N SER C 289 97.072 -31.176 -9.928 1.00 11.89 N -ATOM 6825 CA SER C 289 96.395 -32.133 -9.035 1.00 13.51 C -ATOM 6826 CB SER C 289 95.778 -33.304 -9.756 1.00 14.21 C -ATOM 6827 OG SER C 289 96.762 -34.189 -10.251 1.00 17.54 O -ATOM 6828 C SER C 289 97.412 -32.615 -8.020 1.00 14.12 C -ATOM 6829 O SER C 289 98.620 -32.410 -8.217 1.00 13.65 O -ATOM 6830 N ALA C 290 96.906 -33.172 -6.943 1.00 15.85 N -ATOM 6831 CA ALA C 290 97.713 -33.922 -5.962 1.00 17.92 C -ATOM 6832 CB ALA C 290 98.174 -32.967 -4.909 1.00 18.65 C -ATOM 6833 C ALA C 290 96.862 -35.070 -5.421 1.00 18.60 C -ATOM 6834 O ALA C 290 95.818 -34.798 -4.843 1.00 19.33 O -ATOM 6835 N GLY C 291 97.308 -36.319 -5.641 1.00 20.46 N -ATOM 6836 CA GLY C 291 96.540 -37.533 -5.306 1.00 19.08 C -ATOM 6837 C GLY C 291 95.264 -37.668 -6.104 1.00 18.82 C -ATOM 6838 O GLY C 291 94.295 -38.248 -5.580 1.00 20.41 O -ATOM 6839 N GLY C 292 95.233 -37.087 -7.310 1.00 17.51 N -ATOM 6840 CA GLY C 292 94.068 -37.147 -8.209 1.00 16.76 C -ATOM 6841 C GLY C 292 93.107 -36.006 -7.919 1.00 14.50 C -ATOM 6842 O GLY C 292 92.104 -35.960 -8.585 1.00 16.79 O -ATOM 6843 N TYR C 293 93.403 -35.167 -6.931 1.00 14.12 N -ATOM 6844 CA TYR C 293 92.436 -34.148 -6.464 1.00 12.16 C -ATOM 6845 CB TYR C 293 92.092 -34.371 -4.991 1.00 12.50 C -ATOM 6846 CG TYR C 293 91.429 -35.692 -4.629 1.00 11.97 C -ATOM 6847 CD1 TYR C 293 90.226 -36.077 -5.193 1.00 13.22 C -ATOM 6848 CE1 TYR C 293 89.603 -37.273 -4.853 1.00 13.92 C -ATOM 6849 CZ TYR C 293 90.172 -38.090 -3.889 1.00 14.02 C -ATOM 6850 OH TYR C 293 89.548 -39.279 -3.528 1.00 14.83 O -ATOM 6851 CE2 TYR C 293 91.364 -37.714 -3.292 1.00 13.40 C -ATOM 6852 CD2 TYR C 293 91.992 -36.533 -3.680 1.00 14.39 C -ATOM 6853 C TYR C 293 92.949 -32.724 -6.700 1.00 11.06 C -ATOM 6854 O TYR C 293 94.156 -32.430 -6.621 1.00 11.53 O -ATOM 6855 N ARG C 294 91.968 -31.844 -6.904 1.00 9.57 N -ATOM 6856 CA ARG C 294 92.234 -30.387 -7.004 1.00 9.30 C -ATOM 6857 CB ARG C 294 91.650 -29.824 -8.301 1.00 9.22 C -ATOM 6858 CG ARG C 294 92.233 -30.451 -9.553 1.00 10.59 C -ATOM 6859 CD ARG C 294 92.058 -29.577 -10.770 1.00 11.03 C -ATOM 6860 NE ARG C 294 92.304 -30.278 -12.035 1.00 12.87 N -ATOM 6861 CZ ARG C 294 91.509 -31.178 -12.572 1.00 14.30 C -ATOM 6862 NH1 ARG C 294 90.390 -31.526 -11.965 1.00 18.53 N -ATOM 6863 NH2 ARG C 294 91.880 -31.818 -13.671 1.00 13.25 N -ATOM 6864 C ARG C 294 91.651 -29.637 -5.806 1.00 8.87 C -ATOM 6865 O ARG C 294 91.846 -28.387 -5.713 1.00 8.65 O -ATOM 6866 N ILE C 295 90.925 -30.309 -4.910 1.00 8.81 N -ATOM 6867 CA ILE C 295 90.434 -29.698 -3.658 1.00 8.10 C -ATOM 6868 CB ILE C 295 88.936 -29.356 -3.769 1.00 8.08 C -ATOM 6869 CG1 ILE C 295 88.688 -28.290 -4.851 1.00 7.68 C -ATOM 6870 CG2 ILE C 295 88.427 -28.920 -2.425 1.00 8.63 C -ATOM 6871 CD1 ILE C 295 87.251 -27.810 -4.906 1.00 8.12 C -ATOM 6872 C ILE C 295 90.703 -30.720 -2.553 1.00 8.99 C -ATOM 6873 O ILE C 295 90.244 -31.882 -2.693 1.00 9.66 O -ATOM 6874 N ARG C 296 91.350 -30.322 -1.488 1.00 8.77 N -ATOM 6875 CA ARG C 296 91.655 -31.290 -0.397 1.00 9.63 C -ATOM 6876 CB ARG C 296 92.827 -32.203 -0.761 1.00 11.75 C -ATOM 6877 CG ARG C 296 94.079 -31.497 -1.271 1.00 14.09 C -ATOM 6878 CD ARG C 296 95.218 -32.494 -1.166 1.00 19.02 C -ATOM 6879 NE ARG C 296 96.513 -32.179 -1.726 1.00 26.14 N -ATOM 6880 CZ ARG C 296 97.615 -32.911 -1.529 1.00 27.50 C -ATOM 6881 NH1 ARG C 296 97.586 -33.971 -0.738 1.00 28.03 N -ATOM 6882 NH2 ARG C 296 98.762 -32.552 -2.086 1.00 31.55 N -ATOM 6883 C ARG C 296 91.982 -30.513 0.860 1.00 9.78 C -ATOM 6884 O ARG C 296 92.496 -29.391 0.795 1.00 9.38 O -ATOM 6885 N PRO C 297 91.805 -31.133 2.036 1.00 9.85 N -ATOM 6886 CA PRO C 297 92.336 -30.548 3.249 1.00 10.20 C -ATOM 6887 CB PRO C 297 92.001 -31.570 4.337 1.00 10.50 C -ATOM 6888 CG PRO C 297 90.841 -32.315 3.749 1.00 11.17 C -ATOM 6889 CD PRO C 297 91.155 -32.436 2.273 1.00 9.74 C -ATOM 6890 C PRO C 297 93.854 -30.417 3.165 1.00 10.80 C -ATOM 6891 O PRO C 297 94.487 -31.215 2.529 1.00 12.12 O -ATOM 6892 N PHE C 298 94.421 -29.400 3.788 1.00 10.97 N -ATOM 6893 CA PHE C 298 95.889 -29.264 3.904 1.00 13.02 C -ATOM 6894 CB PHE C 298 96.174 -28.123 4.873 1.00 11.66 C -ATOM 6895 CG PHE C 298 95.968 -26.750 4.295 1.00 10.31 C -ATOM 6896 CD1 PHE C 298 96.788 -26.328 3.273 1.00 11.22 C -ATOM 6897 CE1 PHE C 298 96.608 -25.083 2.688 1.00 9.87 C -ATOM 6898 CZ PHE C 298 95.641 -24.245 3.168 1.00 9.99 C -ATOM 6899 CD2 PHE C 298 94.978 -25.918 4.754 1.00 10.53 C -ATOM 6900 CE2 PHE C 298 94.833 -24.659 4.198 1.00 10.39 C -ATOM 6901 C PHE C 298 96.591 -30.561 4.358 1.00 15.83 C -ATOM 6902 O PHE C 298 96.109 -31.211 5.292 1.00 18.06 O -TER 6903 PHE C 298 -ATOM 6904 N ALA D 1 62.492 -35.094 -27.110 1.00 30.83 N -ATOM 6905 CA ALA D 1 62.031 -34.354 -28.329 1.00 31.07 C -ATOM 6906 CB ALA D 1 61.630 -35.329 -29.423 1.00 33.17 C -ATOM 6907 C ALA D 1 60.877 -33.436 -27.912 1.00 28.97 C -ATOM 6908 O ALA D 1 61.104 -32.604 -27.024 1.00 32.78 O -ATOM 6909 N GLN D 2 59.684 -33.610 -28.491 1.00 28.17 N -ATOM 6910 CA GLN D 2 58.438 -32.991 -27.970 1.00 26.50 C -ATOM 6911 CB GLN D 2 57.224 -33.295 -28.848 1.00 27.45 C -ATOM 6912 CG GLN D 2 57.417 -33.026 -30.328 1.00 29.04 C -ATOM 6913 CD GLN D 2 56.424 -33.824 -31.138 1.00 27.97 C -ATOM 6914 OE1 GLN D 2 55.719 -34.694 -30.621 1.00 30.53 O -ATOM 6915 NE2 GLN D 2 56.365 -33.524 -32.424 1.00 28.18 N -ATOM 6916 C GLN D 2 58.167 -33.547 -26.568 1.00 23.77 C -ATOM 6917 O GLN D 2 58.489 -34.721 -26.304 1.00 25.73 O -ATOM 6918 N GLU D 3 57.608 -32.732 -25.679 1.00 20.70 N -ATOM 6919 CA GLU D 3 57.096 -33.228 -24.378 1.00 19.41 C -ATOM 6920 CB GLU D 3 56.728 -32.090 -23.429 1.00 17.34 C -ATOM 6921 CG GLU D 3 55.576 -31.218 -23.895 1.00 15.76 C -ATOM 6922 CD GLU D 3 55.053 -30.220 -22.874 1.00 14.76 C -ATOM 6923 OE1 GLU D 3 55.341 -30.378 -21.657 1.00 15.03 O -ATOM 6924 OE2 GLU D 3 54.359 -29.301 -23.299 1.00 15.33 O -ATOM 6925 C GLU D 3 55.873 -34.105 -24.624 1.00 19.14 C -ATOM 6926 O GLU D 3 55.291 -34.053 -25.696 1.00 18.41 O -ATOM 6927 N SER D 4 55.455 -34.865 -23.625 1.00 19.20 N -ATOM 6928 CA SER D 4 54.279 -35.748 -23.758 1.00 19.54 C -ATOM 6929 CB SER D 4 54.714 -37.103 -24.255 1.00 23.00 C -ATOM 6930 OG SER D 4 55.741 -37.635 -23.433 1.00 24.23 O -ATOM 6931 C SER D 4 53.495 -35.834 -22.453 1.00 19.73 C -ATOM 6932 O SER D 4 53.148 -36.921 -22.004 1.00 22.78 O -ATOM 6933 N PRO D 5 53.115 -34.708 -21.803 1.00 16.81 N -ATOM 6934 CA PRO D 5 52.240 -34.827 -20.645 1.00 16.29 C -ATOM 6935 CB PRO D 5 52.189 -33.387 -20.109 1.00 17.14 C -ATOM 6936 CG PRO D 5 52.415 -32.524 -21.322 1.00 17.07 C -ATOM 6937 CD PRO D 5 53.389 -33.306 -22.176 1.00 17.51 C -ATOM 6938 C PRO D 5 50.883 -35.382 -21.081 1.00 15.35 C -ATOM 6939 O PRO D 5 50.431 -35.151 -22.175 1.00 16.53 O -ATOM 6940 N ALA D 6 50.222 -36.092 -20.187 1.00 15.14 N -ATOM 6941 CA ALA D 6 48.970 -36.808 -20.459 1.00 14.86 C -ATOM 6942 CB ALA D 6 48.441 -37.449 -19.191 1.00 14.97 C -ATOM 6943 C ALA D 6 47.964 -35.835 -21.079 1.00 12.88 C -ATOM 6944 O ALA D 6 47.195 -36.268 -21.929 1.00 14.49 O -ATOM 6945 N PHE D 7 47.931 -34.573 -20.626 1.00 12.58 N -ATOM 6946 CA PHE D 7 46.816 -33.660 -20.977 1.00 11.75 C -ATOM 6947 CB PHE D 7 46.733 -32.505 -19.969 1.00 12.29 C -ATOM 6948 CG PHE D 7 47.818 -31.464 -20.035 1.00 12.61 C -ATOM 6949 CD1 PHE D 7 47.761 -30.452 -20.997 1.00 11.83 C -ATOM 6950 CE1 PHE D 7 48.682 -29.423 -20.987 1.00 12.17 C -ATOM 6951 CZ PHE D 7 49.721 -29.440 -20.088 1.00 13.36 C -ATOM 6952 CD2 PHE D 7 48.863 -31.456 -19.122 1.00 13.19 C -ATOM 6953 CE2 PHE D 7 49.816 -30.463 -19.166 1.00 12.85 C -ATOM 6954 C PHE D 7 46.904 -33.214 -22.444 1.00 10.66 C -ATOM 6955 O PHE D 7 45.922 -32.519 -22.873 1.00 11.36 O -ATOM 6956 N ILE D 8 47.985 -33.463 -23.162 1.00 11.03 N -ATOM 6957 CA ILE D 8 48.157 -32.975 -24.556 1.00 11.92 C -ATOM 6958 CB ILE D 8 49.551 -32.402 -24.820 1.00 11.48 C -ATOM 6959 CG1 ILE D 8 49.829 -31.214 -23.896 1.00 12.51 C -ATOM 6960 CG2 ILE D 8 49.677 -32.009 -26.287 1.00 12.08 C -ATOM 6961 CD1 ILE D 8 51.162 -30.597 -24.111 1.00 13.87 C -ATOM 6962 C ILE D 8 47.832 -34.133 -25.489 1.00 11.54 C -ATOM 6963 O ILE D 8 48.543 -35.134 -25.491 1.00 12.81 O -ATOM 6964 N ASP D 9 46.797 -34.008 -26.303 1.00 12.07 N -ATOM 6965 CA ASP D 9 46.510 -35.026 -27.342 1.00 12.17 C -ATOM 6966 CB ASP D 9 45.214 -34.626 -28.032 1.00 13.45 C -ATOM 6967 CG ASP D 9 44.757 -35.562 -29.120 1.00 14.28 C -ATOM 6968 OD1 ASP D 9 45.619 -36.253 -29.690 1.00 13.66 O -ATOM 6969 OD2 ASP D 9 43.554 -35.555 -29.369 1.00 18.45 O -ATOM 6970 C ASP D 9 47.695 -35.042 -28.287 1.00 13.33 C -ATOM 6971 O ASP D 9 47.996 -33.972 -28.833 1.00 13.38 O -ATOM 6972 N PRO D 10 48.357 -36.202 -28.553 1.00 14.42 N -ATOM 6973 CA PRO D 10 49.531 -36.223 -29.433 1.00 14.41 C -ATOM 6974 CB PRO D 10 49.927 -37.718 -29.477 1.00 15.62 C -ATOM 6975 CG PRO D 10 49.351 -38.318 -28.217 1.00 17.67 C -ATOM 6976 CD PRO D 10 48.118 -37.503 -27.889 1.00 15.66 C -ATOM 6977 C PRO D 10 49.296 -35.743 -30.881 1.00 12.34 C -ATOM 6978 O PRO D 10 50.256 -35.302 -31.532 1.00 13.85 O -ATOM 6979 N ALA D 11 48.044 -35.826 -31.331 1.00 13.73 N -ATOM 6980 CA ALA D 11 47.627 -35.295 -32.661 1.00 12.90 C -ATOM 6981 CB ALA D 11 46.179 -35.568 -32.935 1.00 13.64 C -ATOM 6982 C ALA D 11 47.888 -33.780 -32.721 1.00 12.56 C -ATOM 6983 O ALA D 11 47.929 -33.204 -33.839 1.00 12.69 O -ATOM 6984 N SER D 12 48.007 -33.115 -31.572 1.00 12.11 N -ATOM 6985 CA SER D 12 48.170 -31.641 -31.527 1.00 12.06 C -ATOM 6986 CB SER D 12 48.190 -31.122 -30.115 1.00 11.75 C -ATOM 6987 OG SER D 12 47.017 -31.429 -29.434 1.00 11.39 O -ATOM 6988 C SER D 12 49.464 -31.237 -32.234 1.00 11.86 C -ATOM 6989 O SER D 12 49.531 -30.116 -32.774 1.00 11.53 O -ATOM 6990 N TRP D 13 50.509 -32.065 -32.161 1.00 12.83 N -ATOM 6991 CA TRP D 13 51.885 -31.646 -32.463 1.00 13.26 C -ATOM 6992 CB TRP D 13 52.895 -32.726 -32.033 1.00 14.40 C -ATOM 6993 CG TRP D 13 53.038 -32.783 -30.545 1.00 14.12 C -ATOM 6994 CD1 TRP D 13 52.519 -33.712 -29.682 1.00 14.57 C -ATOM 6995 NE1 TRP D 13 52.844 -33.387 -28.392 1.00 15.79 N -ATOM 6996 CE2 TRP D 13 53.548 -32.212 -28.390 1.00 14.94 C -ATOM 6997 CD2 TRP D 13 53.665 -31.787 -29.728 1.00 14.43 C -ATOM 6998 CE3 TRP D 13 54.384 -30.632 -30.015 1.00 15.16 C -ATOM 6999 CZ3 TRP D 13 54.914 -29.902 -28.979 1.00 14.70 C -ATOM 7000 CH2 TRP D 13 54.818 -30.354 -27.671 1.00 15.43 C -ATOM 7001 CZ2 TRP D 13 54.083 -31.467 -27.337 1.00 15.58 C -ATOM 7002 C TRP D 13 52.013 -31.277 -33.935 1.00 13.23 C -ATOM 7003 O TRP D 13 52.736 -30.316 -34.223 1.00 11.84 O -ATOM 7004 N ASN D 14 51.355 -32.007 -34.821 1.00 14.26 N -ATOM 7005 CA ASN D 14 51.432 -31.766 -36.275 1.00 14.35 C -ATOM 7006 CB ASN D 14 51.537 -33.122 -36.976 1.00 16.67 C -ATOM 7007 CG ASN D 14 51.988 -33.001 -38.409 1.00 20.70 C -ATOM 7008 OD1 ASN D 14 52.868 -32.211 -38.723 1.00 22.99 O -ATOM 7009 ND2 ASN D 14 51.376 -33.780 -39.279 1.00 24.67 N -ATOM 7010 C ASN D 14 50.244 -30.900 -36.723 1.00 13.31 C -ATOM 7011 O ASN D 14 50.024 -30.750 -37.934 1.00 15.17 O -ATOM 7012 N THR D 15 49.536 -30.273 -35.784 1.00 11.36 N -ATOM 7013 CA THR D 15 48.439 -29.334 -36.114 1.00 10.61 C -ATOM 7014 CB THR D 15 47.276 -29.534 -35.155 1.00 10.43 C -ATOM 7015 OG1 THR D 15 46.991 -30.936 -35.096 1.00 13.01 O -ATOM 7016 CG2 THR D 15 46.046 -28.765 -35.569 1.00 10.82 C -ATOM 7017 C THR D 15 48.914 -27.891 -36.084 1.00 10.50 C -ATOM 7018 O THR D 15 49.591 -27.482 -35.149 1.00 10.76 O -ATOM 7019 N PRO D 16 48.558 -27.066 -37.091 1.00 10.01 N -ATOM 7020 CA PRO D 16 48.797 -25.632 -37.003 1.00 9.50 C -ATOM 7021 CB PRO D 16 47.942 -25.097 -38.136 1.00 9.58 C -ATOM 7022 CG PRO D 16 47.990 -26.203 -39.168 1.00 10.39 C -ATOM 7023 CD PRO D 16 47.857 -27.441 -38.322 1.00 10.28 C -ATOM 7024 C PRO D 16 48.245 -25.096 -35.680 1.00 8.77 C -ATOM 7025 O PRO D 16 47.216 -25.513 -35.269 1.00 8.58 O -ATOM 7026 N PHE D 17 48.937 -24.150 -35.085 1.00 8.96 N -ATOM 7027 CA PHE D 17 48.525 -23.614 -33.770 1.00 7.98 C -ATOM 7028 CB PHE D 17 49.487 -22.497 -33.382 1.00 8.82 C -ATOM 7029 CG PHE D 17 49.284 -22.032 -31.961 1.00 8.59 C -ATOM 7030 CD1 PHE D 17 49.582 -22.854 -30.879 1.00 9.15 C -ATOM 7031 CE1 PHE D 17 49.418 -22.384 -29.574 1.00 8.97 C -ATOM 7032 CZ PHE D 17 48.958 -21.099 -29.338 1.00 8.91 C -ATOM 7033 CD2 PHE D 17 48.806 -20.747 -31.708 1.00 9.22 C -ATOM 7034 CE2 PHE D 17 48.664 -20.290 -30.412 1.00 9.09 C -ATOM 7035 C PHE D 17 47.058 -23.151 -33.779 1.00 7.37 C -ATOM 7036 O PHE D 17 46.354 -23.315 -32.800 1.00 8.02 O -ATOM 7037 N ASN D 18 46.633 -22.510 -34.861 1.00 7.37 N -ATOM 7038 CA ASN D 18 45.257 -21.981 -34.976 1.00 7.70 C -ATOM 7039 CB ASN D 18 45.127 -21.039 -36.164 1.00 8.27 C -ATOM 7040 CG ASN D 18 45.550 -21.680 -37.469 1.00 8.09 C -ATOM 7041 OD1 ASN D 18 46.705 -22.081 -37.632 1.00 8.71 O -ATOM 7042 ND2 ASN D 18 44.660 -21.734 -38.425 1.00 8.78 N -ATOM 7043 C ASN D 18 44.242 -23.115 -35.073 1.00 8.50 C -ATOM 7044 O ASN D 18 43.063 -22.817 -34.923 1.00 7.85 O -ATOM 7045 N GLY D 19 44.691 -24.354 -35.353 1.00 7.76 N -ATOM 7046 CA GLY D 19 43.775 -25.523 -35.388 1.00 8.76 C -ATOM 7047 C GLY D 19 43.705 -26.246 -34.050 1.00 8.60 C -ATOM 7048 O GLY D 19 43.132 -27.344 -33.992 1.00 9.40 O -ATOM 7049 N ILE D 20 44.313 -25.689 -32.997 1.00 8.09 N -ATOM 7050 CA ILE D 20 44.382 -26.378 -31.670 1.00 8.58 C -ATOM 7051 CB ILE D 20 45.825 -26.448 -31.164 1.00 9.48 C -ATOM 7052 CG1 ILE D 20 46.692 -27.147 -32.204 1.00 9.35 C -ATOM 7053 CG2 ILE D 20 45.939 -27.112 -29.807 1.00 9.37 C -ATOM 7054 CD1 ILE D 20 48.136 -27.178 -31.870 1.00 9.53 C -ATOM 7055 C ILE D 20 43.468 -25.642 -30.694 1.00 8.71 C -ATOM 7056 O ILE D 20 43.545 -24.378 -30.556 1.00 8.17 O -ATOM 7057 N ALA D 21 42.683 -26.406 -29.969 1.00 8.40 N -ATOM 7058 CA ALA D 21 41.845 -25.949 -28.853 1.00 8.31 C -ATOM 7059 CB ALA D 21 40.522 -26.623 -28.877 1.00 8.44 C -ATOM 7060 C ALA D 21 42.555 -26.242 -27.529 1.00 8.45 C -ATOM 7061 O ALA D 21 43.154 -27.333 -27.353 1.00 8.31 O -ATOM 7062 N GLN D 22 42.470 -25.290 -26.619 1.00 8.29 N -ATOM 7063 CA GLN D 22 43.133 -25.392 -25.298 1.00 8.36 C -ATOM 7064 CB GLN D 22 44.367 -24.487 -25.188 1.00 9.44 C -ATOM 7065 CG GLN D 22 45.374 -24.730 -26.285 1.00 10.40 C -ATOM 7066 CD GLN D 22 46.582 -23.860 -26.043 1.00 13.47 C -ATOM 7067 OE1 GLN D 22 46.478 -22.770 -25.494 1.00 29.55 O -ATOM 7068 NE2 GLN D 22 47.758 -24.339 -26.417 1.00 22.75 N -ATOM 7069 C GLN D 22 42.186 -24.952 -24.204 1.00 7.31 C -ATOM 7070 O GLN D 22 41.443 -23.959 -24.373 1.00 7.79 O -ATOM 7071 N VAL D 23 42.352 -25.574 -23.050 1.00 7.45 N -ATOM 7072 CA VAL D 23 41.910 -25.016 -21.751 1.00 7.51 C -ATOM 7073 CB VAL D 23 41.778 -26.130 -20.706 1.00 8.15 C -ATOM 7074 CG1 VAL D 23 41.501 -25.529 -19.324 1.00 8.47 C -ATOM 7075 CG2 VAL D 23 40.727 -27.165 -21.126 1.00 8.96 C -ATOM 7076 C VAL D 23 42.981 -23.996 -21.326 1.00 7.79 C -ATOM 7077 O VAL D 23 44.183 -24.328 -21.315 1.00 8.36 O -ATOM 7078 N ALA D 24 42.541 -22.789 -21.040 1.00 7.44 N -ATOM 7079 CA ALA D 24 43.392 -21.700 -20.542 1.00 7.67 C -ATOM 7080 CB ALA D 24 43.280 -20.478 -21.436 1.00 8.04 C -ATOM 7081 C ALA D 24 42.971 -21.378 -19.128 1.00 7.26 C -ATOM 7082 O ALA D 24 41.832 -21.634 -18.740 1.00 7.02 O -ATOM 7083 N CYS D 25 43.874 -20.756 -18.384 1.00 8.20 N -ATOM 7084 CA CYS D 25 43.474 -20.300 -17.046 1.00 7.91 C -ATOM 7085 CB CYS D 25 44.668 -20.151 -16.124 1.00 8.55 C -ATOM 7086 SG CYS D 25 45.483 -18.557 -16.215 1.00 10.68 S -ATOM 7087 C CYS D 25 42.721 -18.993 -17.173 1.00 8.17 C -ATOM 7088 O CYS D 25 42.758 -18.371 -18.225 1.00 12.03 O -ATOM 7089 N HIS D 26 42.033 -18.568 -16.142 1.00 7.88 N -ATOM 7090 CA HIS D 26 41.529 -17.195 -16.008 1.00 7.35 C -ATOM 7091 CB HIS D 26 40.013 -17.202 -15.992 1.00 7.98 C -ATOM 7092 CG HIS D 26 39.436 -15.829 -16.079 1.00 8.72 C -ATOM 7093 ND1 HIS D 26 38.087 -15.629 -16.253 1.00 8.80 N -ATOM 7094 CE1 HIS D 26 37.819 -14.338 -16.305 1.00 10.25 C -ATOM 7095 NE2 HIS D 26 38.957 -13.666 -16.172 1.00 11.50 N -ATOM 7096 CD2 HIS D 26 39.986 -14.588 -16.057 1.00 10.60 C -ATOM 7097 C HIS D 26 42.126 -16.616 -14.735 1.00 6.75 C -ATOM 7098 O HIS D 26 41.811 -17.096 -13.621 1.00 7.45 O -ATOM 7099 N ASN D 27 43.033 -15.650 -14.859 1.00 6.74 N -ATOM 7100 CA ASN D 27 43.600 -14.926 -13.685 1.00 7.83 C -ATOM 7101 CB ASN D 27 42.531 -14.132 -12.942 1.00 9.53 C -ATOM 7102 CG ASN D 27 42.025 -12.932 -13.717 1.00 10.75 C -ATOM 7103 OD1 ASN D 27 42.540 -12.525 -14.764 1.00 9.91 O -ATOM 7104 ND2 ASN D 27 40.866 -12.447 -13.266 1.00 15.49 N -ATOM 7105 C ASN D 27 44.352 -15.903 -12.781 1.00 8.11 C -ATOM 7106 O ASN D 27 44.314 -15.707 -11.538 1.00 9.41 O -ATOM 7107 N CYS D 28 45.086 -16.869 -13.318 1.00 8.46 N -ATOM 7108 CA CYS D 28 45.693 -17.907 -12.451 1.00 9.10 C -ATOM 7109 CB CYS D 28 46.065 -19.163 -13.217 1.00 9.60 C -ATOM 7110 SG CYS D 28 47.040 -18.878 -14.708 1.00 11.01 S -ATOM 7111 C CYS D 28 46.927 -17.429 -11.699 1.00 9.00 C -ATOM 7112 O CYS D 28 47.472 -18.242 -10.933 1.00 10.44 O -ATOM 7113 N TYR D 29 47.302 -16.156 -11.831 1.00 9.27 N -ATOM 7114 CA TYR D 29 48.275 -15.499 -10.916 1.00 8.82 C -ATOM 7115 CB TYR D 29 48.709 -14.142 -11.494 1.00 8.66 C -ATOM 7116 CG TYR D 29 47.610 -13.123 -11.493 1.00 9.05 C -ATOM 7117 CD1 TYR D 29 47.391 -12.360 -10.364 1.00 9.07 C -ATOM 7118 CE1 TYR D 29 46.345 -11.484 -10.311 1.00 8.80 C -ATOM 7119 CZ TYR D 29 45.467 -11.376 -11.383 1.00 8.77 C -ATOM 7120 OH TYR D 29 44.408 -10.519 -11.292 1.00 10.46 O -ATOM 7121 CE2 TYR D 29 45.671 -12.111 -12.543 1.00 8.72 C -ATOM 7122 CD2 TYR D 29 46.752 -12.973 -12.572 1.00 8.57 C -ATOM 7123 C TYR D 29 47.669 -15.258 -9.531 1.00 9.65 C -ATOM 7124 O TYR D 29 48.423 -14.999 -8.569 1.00 9.81 O -ATOM 7125 N GLU D 30 46.377 -15.371 -9.358 1.00 9.12 N -ATOM 7126 CA GLU D 30 45.755 -15.108 -8.037 1.00 9.89 C -ATOM 7127 CB GLU D 30 44.286 -14.753 -8.096 1.00 10.29 C -ATOM 7128 CG GLU D 30 43.978 -13.475 -8.839 1.00 10.81 C -ATOM 7129 CD GLU D 30 42.471 -13.269 -8.841 1.00 13.20 C -ATOM 7130 OE1 GLU D 30 41.829 -13.728 -7.840 1.00 24.98 O -ATOM 7131 OE2 GLU D 30 41.892 -12.894 -9.835 1.00 12.50 O -ATOM 7132 C GLU D 30 45.927 -16.332 -7.148 1.00 10.23 C -ATOM 7133 O GLU D 30 45.799 -17.501 -7.585 1.00 10.24 O -ATOM 7134 N LYS D 31 46.317 -16.075 -5.903 1.00 11.96 N -ATOM 7135 CA LYS D 31 46.609 -17.161 -4.920 1.00 11.47 C -ATOM 7136 CB LYS D 31 46.929 -16.564 -3.543 1.00 12.56 C -ATOM 7137 CG LYS D 31 48.239 -15.803 -3.499 1.00 14.06 C -ATOM 7138 CD LYS D 31 48.453 -15.141 -2.151 1.00 15.53 C -ATOM 7139 CE LYS D 31 49.594 -14.146 -2.117 1.00 17.03 C -ATOM 7140 NZ LYS D 31 49.724 -13.504 -0.792 1.00 18.20 N -ATOM 7141 C LYS D 31 45.447 -18.147 -4.811 1.00 11.14 C -ATOM 7142 O LYS D 31 45.697 -19.326 -4.566 1.00 12.99 O -ATOM 7143 N GLN D 32 44.220 -17.658 -4.958 1.00 10.93 N -ATOM 7144 CA GLN D 32 43.033 -18.532 -4.814 1.00 11.77 C -ATOM 7145 CB GLN D 32 41.755 -17.696 -4.819 1.00 13.71 C -ATOM 7146 CG GLN D 32 41.543 -16.829 -6.060 1.00 16.06 C -ATOM 7147 CD GLN D 32 40.144 -16.276 -6.222 1.00 18.64 C -ATOM 7148 OE1 GLN D 32 39.233 -16.534 -5.449 1.00 23.79 O -ATOM 7149 NE2 GLN D 32 39.928 -15.581 -7.324 1.00 26.78 N -ATOM 7150 C GLN D 32 42.924 -19.571 -5.938 1.00 12.20 C -ATOM 7151 O GLN D 32 42.256 -20.577 -5.709 1.00 13.45 O -ATOM 7152 N TYR D 33 43.608 -19.399 -7.073 1.00 11.51 N -ATOM 7153 CA TYR D 33 43.431 -20.306 -8.229 1.00 10.87 C -ATOM 7154 CB TYR D 33 43.184 -19.526 -9.524 1.00 11.66 C -ATOM 7155 CG TYR D 33 42.021 -18.589 -9.471 1.00 11.43 C -ATOM 7156 CD1 TYR D 33 40.756 -19.052 -9.157 1.00 11.10 C -ATOM 7157 CE1 TYR D 33 39.685 -18.186 -9.091 1.00 12.99 C -ATOM 7158 CZ TYR D 33 39.845 -16.858 -9.415 1.00 11.81 C -ATOM 7159 OH TYR D 33 38.771 -16.022 -9.367 1.00 12.46 O -ATOM 7160 CE2 TYR D 33 41.093 -16.403 -9.821 1.00 10.76 C -ATOM 7161 CD2 TYR D 33 42.157 -17.270 -9.845 1.00 11.15 C -ATOM 7162 C TYR D 33 44.585 -21.296 -8.369 1.00 11.21 C -ATOM 7163 O TYR D 33 44.479 -22.309 -9.101 1.00 10.89 O -ATOM 7164 N ALA D 34 45.695 -21.042 -7.701 1.00 11.81 N -ATOM 7165 CA ALA D 34 46.884 -21.903 -7.839 1.00 11.76 C -ATOM 7166 CB ALA D 34 47.563 -21.749 -9.175 1.00 12.05 C -ATOM 7167 C ALA D 34 47.813 -21.570 -6.694 1.00 12.96 C -ATOM 7168 O ALA D 34 47.987 -20.391 -6.362 1.00 13.11 O -ATOM 7169 N ASN D 35 48.451 -22.601 -6.169 1.00 14.21 N -ATOM 7170 CA ASN D 35 49.399 -22.433 -5.045 1.00 17.56 C -ATOM 7171 CB ASN D 35 49.736 -23.801 -4.455 1.00 20.89 C -ATOM 7172 CG ASN D 35 48.549 -24.337 -3.677 1.00 25.42 C -ATOM 7173 OD1 ASN D 35 47.680 -23.564 -3.273 1.00 28.75 O -ATOM 7174 ND2 ASN D 35 48.470 -25.643 -3.504 1.00 26.73 N -ATOM 7175 C ASN D 35 50.577 -21.596 -5.528 1.00 13.99 C -ATOM 7176 O ASN D 35 50.987 -20.665 -4.814 1.00 14.93 O -ATOM 7177 N THR D 36 51.092 -21.877 -6.716 1.00 13.40 N -ATOM 7178 CA THR D 36 52.200 -21.131 -7.331 1.00 11.53 C -ATOM 7179 CB THR D 36 53.551 -21.848 -7.219 1.00 12.52 C -ATOM 7180 OG1 THR D 36 53.410 -23.005 -8.044 1.00 13.56 O -ATOM 7181 CG2 THR D 36 53.958 -22.229 -5.806 1.00 13.34 C -ATOM 7182 C THR D 36 51.840 -20.893 -8.795 1.00 10.20 C -ATOM 7183 O THR D 36 51.142 -21.727 -9.430 1.00 10.43 O -ATOM 7184 N PHE D 37 52.375 -19.857 -9.367 1.00 9.94 N -ATOM 7185 CA PHE D 37 52.130 -19.577 -10.798 1.00 9.89 C -ATOM 7186 CB PHE D 37 52.741 -18.227 -11.154 1.00 9.08 C -ATOM 7187 CG PHE D 37 52.275 -17.629 -12.462 1.00 9.25 C -ATOM 7188 CD1 PHE D 37 50.923 -17.471 -12.724 1.00 9.50 C -ATOM 7189 CE1 PHE D 37 50.510 -16.926 -13.932 1.00 10.13 C -ATOM 7190 CZ PHE D 37 51.432 -16.549 -14.883 1.00 9.99 C -ATOM 7191 CD2 PHE D 37 53.187 -17.257 -13.436 1.00 10.33 C -ATOM 7192 CE2 PHE D 37 52.769 -16.702 -14.647 1.00 10.77 C -ATOM 7193 C PHE D 37 52.706 -20.718 -11.641 1.00 10.02 C -ATOM 7194 O PHE D 37 52.028 -21.193 -12.599 1.00 9.42 O -ATOM 7195 N SER D 38 53.956 -21.110 -11.358 1.00 10.72 N -ATOM 7196 CA SER D 38 54.641 -22.226 -12.062 1.00 12.58 C -ATOM 7197 CB SER D 38 55.999 -22.535 -11.462 1.00 15.39 C -ATOM 7198 OG SER D 38 55.864 -22.935 -10.120 1.00 21.39 O -ATOM 7199 C SER D 38 53.776 -23.484 -12.060 1.00 11.34 C -ATOM 7200 O SER D 38 53.811 -24.204 -13.056 1.00 11.83 O -ATOM 7201 N SER D 39 53.056 -23.767 -10.981 1.00 10.96 N -ATOM 7202 CA SER D 39 52.286 -25.028 -10.882 1.00 11.07 C -ATOM 7203 CB SER D 39 51.705 -25.244 -9.532 1.00 11.52 C -ATOM 7204 OG SER D 39 50.631 -24.367 -9.287 1.00 11.18 O -ATOM 7205 C SER D 39 51.209 -25.069 -11.962 1.00 10.54 C -ATOM 7206 O SER D 39 50.741 -26.185 -12.288 1.00 10.82 O -ATOM 7207 N VAL D 40 50.782 -23.930 -12.483 1.00 10.00 N -ATOM 7208 CA VAL D 40 49.667 -23.879 -13.460 1.00 10.08 C -ATOM 7209 CB VAL D 40 49.300 -22.433 -13.816 1.00 9.56 C -ATOM 7210 CG1 VAL D 40 48.274 -22.403 -14.944 1.00 9.57 C -ATOM 7211 CG2 VAL D 40 48.788 -21.695 -12.600 1.00 10.60 C -ATOM 7212 C VAL D 40 50.120 -24.697 -14.673 1.00 9.36 C -ATOM 7213 O VAL D 40 49.280 -25.340 -15.336 1.00 9.41 O -ATOM 7214 N LEU D 41 51.406 -24.657 -14.967 1.00 9.66 N -ATOM 7215 CA LEU D 41 51.973 -25.362 -16.130 1.00 10.31 C -ATOM 7216 CB LEU D 41 53.347 -24.802 -16.462 1.00 10.41 C -ATOM 7217 CG LEU D 41 53.290 -23.399 -17.036 1.00 10.43 C -ATOM 7218 CD1 LEU D 41 54.588 -22.655 -16.809 1.00 10.93 C -ATOM 7219 CD2 LEU D 41 52.988 -23.456 -18.528 1.00 11.04 C -ATOM 7220 C LEU D 41 51.995 -26.886 -15.916 1.00 10.05 C -ATOM 7221 O LEU D 41 52.305 -27.624 -16.882 1.00 10.15 O -ATOM 7222 N ASP D 42 51.606 -27.410 -14.746 1.00 10.56 N -ATOM 7223 CA ASP D 42 51.330 -28.871 -14.612 1.00 11.49 C -ATOM 7224 CB ASP D 42 51.307 -29.333 -13.161 1.00 12.84 C -ATOM 7225 CG ASP D 42 52.545 -28.993 -12.379 1.00 13.52 C -ATOM 7226 OD1 ASP D 42 53.612 -28.863 -12.966 1.00 14.35 O -ATOM 7227 OD2 ASP D 42 52.375 -28.736 -11.161 1.00 18.59 O -ATOM 7228 C ASP D 42 50.027 -29.241 -15.317 1.00 11.79 C -ATOM 7229 O ASP D 42 49.818 -30.425 -15.581 1.00 12.62 O -ATOM 7230 N SER D 43 49.156 -28.280 -15.619 1.00 10.16 N -ATOM 7231 CA SER D 43 47.793 -28.557 -16.157 1.00 10.35 C -ATOM 7232 CB SER D 43 46.756 -28.011 -15.232 1.00 10.84 C -ATOM 7233 OG SER D 43 46.902 -28.589 -13.936 1.00 14.13 O -ATOM 7234 C SER D 43 47.557 -27.991 -17.554 1.00 10.08 C -ATOM 7235 O SER D 43 46.727 -28.573 -18.248 1.00 10.32 O -ATOM 7236 N VAL D 44 48.083 -26.802 -17.863 1.00 9.03 N -ATOM 7237 CA VAL D 44 47.731 -26.053 -19.105 1.00 8.67 C -ATOM 7238 CB VAL D 44 46.573 -25.056 -18.899 1.00 8.41 C -ATOM 7239 CG1 VAL D 44 45.270 -25.751 -18.524 1.00 8.76 C -ATOM 7240 CG2 VAL D 44 46.944 -23.964 -17.899 1.00 8.92 C -ATOM 7241 C VAL D 44 48.971 -25.362 -19.660 1.00 8.18 C -ATOM 7242 O VAL D 44 50.016 -25.318 -19.010 1.00 8.96 O -ATOM 7243 N ARG D 45 48.865 -24.833 -20.877 1.00 8.27 N -ATOM 7244 CA ARG D 45 49.942 -24.104 -21.558 1.00 8.71 C -ATOM 7245 CB ARG D 45 50.353 -24.847 -22.827 1.00 8.18 C -ATOM 7246 C ARG D 45 49.540 -22.666 -21.872 1.00 7.90 C -ATOM 7247 O ARG D 45 50.301 -22.017 -22.552 1.00 8.86 O -ATOM 7248 N THR D 46 48.407 -22.188 -21.353 1.00 8.02 N -ATOM 7249 CA THR D 46 47.975 -20.791 -21.548 1.00 8.06 C -ATOM 7250 CB THR D 46 46.815 -20.712 -22.554 1.00 8.08 C -ATOM 7251 OG1 THR D 46 47.261 -21.242 -23.807 1.00 9.08 O -ATOM 7252 CG2 THR D 46 46.387 -19.270 -22.732 1.00 8.13 C -ATOM 7253 C THR D 46 47.615 -20.204 -20.192 1.00 7.40 C -ATOM 7254 O THR D 46 46.747 -20.722 -19.494 1.00 7.79 O -ATOM 7255 N LEU D 47 48.329 -19.135 -19.859 1.00 7.71 N -ATOM 7256 CA LEU D 47 48.307 -18.496 -18.520 1.00 8.60 C -ATOM 7257 CB LEU D 47 49.704 -18.608 -17.891 1.00 11.02 C -ATOM 7258 CG LEU D 47 50.030 -19.920 -17.163 1.00 13.92 C -ATOM 7259 CD1 LEU D 47 50.053 -21.126 -18.058 1.00 14.61 C -ATOM 7260 CD2 LEU D 47 51.349 -19.793 -16.456 1.00 14.00 C -ATOM 7261 C LEU D 47 47.906 -17.032 -18.648 1.00 8.73 C -ATOM 7262 O LEU D 47 47.637 -16.576 -19.768 1.00 10.00 O -ATOM 7263 N GLU D 48 47.757 -16.345 -17.516 1.00 7.92 N -ATOM 7264 CA GLU D 48 47.270 -14.948 -17.520 1.00 7.81 C -ATOM 7265 CB GLU D 48 45.747 -14.874 -17.389 1.00 7.70 C -ATOM 7266 CG GLU D 48 45.195 -13.456 -17.442 1.00 7.39 C -ATOM 7267 CD GLU D 48 43.687 -13.401 -17.627 1.00 8.34 C -ATOM 7268 OE1 GLU D 48 43.004 -14.451 -17.448 1.00 8.88 O -ATOM 7269 OE2 GLU D 48 43.179 -12.283 -17.938 1.00 10.32 O -ATOM 7270 C GLU D 48 47.909 -14.180 -16.378 1.00 7.57 C -ATOM 7271 O GLU D 48 48.015 -14.735 -15.244 1.00 8.26 O -ATOM 7272 N LEU D 49 48.283 -12.938 -16.657 1.00 7.38 N -ATOM 7273 CA LEU D 49 48.795 -11.983 -15.651 1.00 7.80 C -ATOM 7274 CB LEU D 49 50.293 -11.778 -15.852 1.00 7.99 C -ATOM 7275 CG LEU D 49 51.154 -12.978 -15.517 1.00 8.38 C -ATOM 7276 CD1 LEU D 49 52.488 -12.861 -16.209 1.00 9.97 C -ATOM 7277 CD2 LEU D 49 51.305 -13.137 -14.016 1.00 8.55 C -ATOM 7278 C LEU D 49 48.063 -10.664 -15.840 1.00 7.93 C -ATOM 7279 O LEU D 49 48.088 -10.117 -16.940 1.00 8.71 O -ATOM 7280 N ASP D 50 47.486 -10.167 -14.757 1.00 7.40 N -ATOM 7281 CA ASP D 50 46.943 -8.786 -14.761 1.00 8.28 C -ATOM 7282 CB ASP D 50 45.717 -8.650 -13.855 1.00 8.97 C -ATOM 7283 CG ASP D 50 44.465 -9.396 -14.297 1.00 9.25 C -ATOM 7284 OD1 ASP D 50 44.413 -9.852 -15.433 1.00 11.67 O -ATOM 7285 OD2 ASP D 50 43.489 -9.479 -13.482 1.00 10.92 O -ATOM 7286 C ASP D 50 48.043 -7.838 -14.271 1.00 7.96 C -ATOM 7287 O ASP D 50 48.566 -8.024 -13.157 1.00 8.88 O -ATOM 7288 N PHE D 51 48.333 -6.777 -15.016 1.00 8.10 N -ATOM 7289 CA PHE D 51 49.501 -5.955 -14.639 1.00 8.16 C -ATOM 7290 CB PHE D 51 50.725 -6.270 -15.495 1.00 8.08 C -ATOM 7291 CG PHE D 51 50.703 -5.820 -16.930 1.00 8.25 C -ATOM 7292 CD2 PHE D 51 51.359 -4.667 -17.305 1.00 8.99 C -ATOM 7293 CE2 PHE D 51 51.403 -4.257 -18.623 1.00 8.28 C -ATOM 7294 CZ PHE D 51 50.737 -4.974 -19.598 1.00 8.39 C -ATOM 7295 CD1 PHE D 51 50.034 -6.528 -17.916 1.00 8.51 C -ATOM 7296 CE1 PHE D 51 50.037 -6.090 -19.228 1.00 8.23 C -ATOM 7297 C PHE D 51 49.162 -4.473 -14.612 1.00 7.41 C -ATOM 7298 O PHE D 51 48.441 -3.918 -15.463 1.00 8.29 O -ATOM 7299 N TRP D 52 49.697 -3.853 -13.556 1.00 7.48 N -ATOM 7300 CA TRP D 52 49.415 -2.454 -13.133 1.00 8.13 C -ATOM 7301 CB TRP D 52 48.811 -2.416 -11.721 1.00 8.92 C -ATOM 7302 CG TRP D 52 47.500 -3.146 -11.621 1.00 9.14 C -ATOM 7303 CD1 TRP D 52 47.263 -4.484 -11.528 1.00 9.36 C -ATOM 7304 NE1 TRP D 52 45.909 -4.710 -11.471 1.00 9.97 N -ATOM 7305 CE2 TRP D 52 45.236 -3.529 -11.507 1.00 10.10 C -ATOM 7306 CD2 TRP D 52 46.201 -2.523 -11.584 1.00 9.88 C -ATOM 7307 CE3 TRP D 52 45.774 -1.207 -11.653 1.00 10.48 C -ATOM 7308 CZ3 TRP D 52 44.429 -0.924 -11.636 1.00 12.18 C -ATOM 7309 CH2 TRP D 52 43.489 -1.944 -11.561 1.00 11.84 C -ATOM 7310 CZ2 TRP D 52 43.872 -3.258 -11.470 1.00 10.94 C -ATOM 7311 C TRP D 52 50.707 -1.663 -13.203 1.00 8.85 C -ATOM 7312 O TRP D 52 51.782 -2.149 -12.869 1.00 9.38 O -ATOM 7313 N ASP D 53 50.588 -0.416 -13.663 1.00 8.71 N -ATOM 7314 CA ASP D 53 51.725 0.533 -13.583 1.00 9.98 C -ATOM 7315 CB ASP D 53 51.447 1.775 -14.419 1.00 10.30 C -ATOM 7316 CG ASP D 53 51.466 1.546 -15.927 1.00 12.47 C -ATOM 7317 OD1 ASP D 53 51.051 0.462 -16.430 1.00 10.74 O -ATOM 7318 OD2 ASP D 53 52.061 2.435 -16.621 1.00 20.08 O -ATOM 7319 C ASP D 53 52.031 0.972 -12.147 1.00 10.50 C -ATOM 7320 O ASP D 53 53.208 1.211 -11.813 1.00 12.03 O -ATOM 7321 N GLN D 54 50.997 1.110 -11.341 1.00 10.47 N -ATOM 7322 CA GLN D 54 51.163 1.759 -10.030 1.00 10.98 C -ATOM 7323 CB GLN D 54 50.346 3.042 -10.023 1.00 12.27 C -ATOM 7324 CG GLN D 54 51.030 4.063 -10.929 1.00 14.38 C -ATOM 7325 CD GLN D 54 50.197 5.291 -11.154 1.00 14.33 C -ATOM 7326 OE1 GLN D 54 49.018 5.209 -11.498 1.00 14.88 O -ATOM 7327 NE2 GLN D 54 50.793 6.460 -10.948 1.00 13.44 N -ATOM 7328 C GLN D 54 50.791 0.789 -8.916 1.00 11.13 C -ATOM 7329 O GLN D 54 50.156 -0.288 -9.143 1.00 10.79 O -ATOM 7330 N ARG D 55 51.283 1.101 -7.732 1.00 10.34 N -ATOM 7331 CA ARG D 55 51.094 0.249 -6.539 1.00 11.30 C -ATOM 7332 CB ARG D 55 51.967 0.796 -5.415 1.00 11.34 C -ATOM 7333 C ARG D 55 49.634 0.263 -6.154 1.00 10.70 C -ATOM 7334 O ARG D 55 49.116 -0.771 -5.646 1.00 11.99 O -ATOM 7335 N ASP D 56 48.990 1.403 -6.336 1.00 13.03 N -ATOM 7336 CA ASP D 56 47.519 1.523 -6.248 1.00 12.91 C -ATOM 7337 CB ASP D 56 47.086 2.216 -4.940 1.00 13.56 C -ATOM 7338 CG ASP D 56 47.587 3.642 -4.772 1.00 12.93 C -ATOM 7339 OD1 ASP D 56 48.066 4.209 -5.765 1.00 13.07 O -ATOM 7340 OD2 ASP D 56 47.458 4.160 -3.636 1.00 15.26 O -ATOM 7341 C ASP D 56 47.045 2.164 -7.555 1.00 13.09 C -ATOM 7342 O ASP D 56 47.761 1.985 -8.585 1.00 14.71 O -ATOM 7343 N ALA D 57 45.894 2.822 -7.566 1.00 14.86 N -ATOM 7344 CA ALA D 57 45.336 3.472 -8.774 1.00 16.02 C -ATOM 7345 CB ALA D 57 43.861 3.781 -8.576 1.00 18.07 C -ATOM 7346 C ALA D 57 46.136 4.732 -9.136 1.00 15.34 C -ATOM 7347 O ALA D 57 46.091 5.136 -10.295 1.00 18.58 O -ATOM 7348 N VAL D 58 46.865 5.367 -8.221 1.00 14.77 N -ATOM 7349 CA VAL D 58 47.377 6.748 -8.467 1.00 14.85 C -ATOM 7350 CB VAL D 58 46.490 7.755 -7.716 1.00 14.16 C -ATOM 7351 CG1 VAL D 58 46.623 7.632 -6.217 1.00 14.40 C -ATOM 7352 CG2 VAL D 58 46.714 9.198 -8.153 1.00 15.18 C -ATOM 7353 C VAL D 58 48.841 6.914 -8.071 1.00 12.83 C -ATOM 7354 O VAL D 58 49.361 8.045 -8.243 1.00 13.49 O -ATOM 7355 N SER D 59 49.555 5.901 -7.593 1.00 11.87 N -ATOM 7356 CA SER D 59 50.865 6.132 -6.938 1.00 11.33 C -ATOM 7357 CB SER D 59 50.679 6.682 -5.547 1.00 11.73 C -ATOM 7358 OG SER D 59 50.109 5.684 -4.707 1.00 12.25 O -ATOM 7359 C SER D 59 51.711 4.876 -6.862 1.00 11.33 C -ATOM 7360 O SER D 59 51.142 3.739 -6.912 1.00 11.55 O -ATOM 7361 N GLY D 60 53.010 5.046 -6.761 1.00 10.29 N -ATOM 7362 CA GLY D 60 53.974 3.988 -6.408 1.00 10.67 C -ATOM 7363 C GLY D 60 54.583 3.280 -7.604 1.00 10.57 C -ATOM 7364 O GLY D 60 55.280 2.266 -7.371 1.00 11.77 O -ATOM 7365 N GLY D 61 54.398 3.750 -8.823 1.00 11.98 N -ATOM 7366 CA GLY D 61 55.100 3.168 -9.983 1.00 12.79 C -ATOM 7367 C GLY D 61 56.604 3.396 -9.948 1.00 13.82 C -ATOM 7368 O GLY D 61 57.079 4.382 -9.275 1.00 13.56 O -ATOM 7369 N SER D 62 57.374 2.588 -10.677 1.00 13.91 N -ATOM 7370 CA SER D 62 58.811 2.837 -10.933 1.00 14.08 C -ATOM 7371 CB SER D 62 59.686 2.040 -10.041 1.00 17.74 C -ATOM 7372 OG SER D 62 59.327 0.683 -10.071 1.00 17.42 O -ATOM 7373 C SER D 62 59.090 2.542 -12.397 1.00 13.64 C -ATOM 7374 O SER D 62 58.343 1.809 -13.072 1.00 13.16 O -ATOM 7375 N PRO D 63 60.187 3.059 -12.974 1.00 13.85 N -ATOM 7376 CA PRO D 63 60.471 2.767 -14.369 1.00 13.88 C -ATOM 7377 CB PRO D 63 61.734 3.565 -14.676 1.00 15.69 C -ATOM 7378 CG PRO D 63 61.741 4.633 -13.599 1.00 16.23 C -ATOM 7379 CD PRO D 63 61.170 3.970 -12.363 1.00 14.21 C -ATOM 7380 C PRO D 63 60.752 1.290 -14.624 1.00 13.18 C -ATOM 7381 O PRO D 63 61.364 0.631 -13.820 1.00 13.57 O -ATOM 7382 N HIS D 64 60.316 0.806 -15.791 1.00 12.08 N -ATOM 7383 CA HIS D 64 60.729 -0.522 -16.327 1.00 12.94 C -ATOM 7384 CB HIS D 64 62.264 -0.603 -16.475 1.00 14.29 C -ATOM 7385 CG HIS D 64 62.889 0.638 -17.016 1.00 16.09 C -ATOM 7386 ND1 HIS D 64 64.037 1.188 -16.460 1.00 18.91 N -ATOM 7387 CE1 HIS D 64 64.350 2.285 -17.119 1.00 18.93 C -ATOM 7388 NE2 HIS D 64 63.466 2.476 -18.089 1.00 18.92 N -ATOM 7389 CD2 HIS D 64 62.541 1.462 -18.026 1.00 18.51 C -ATOM 7390 C HIS D 64 60.174 -1.651 -15.442 1.00 12.35 C -ATOM 7391 O HIS D 64 60.691 -2.757 -15.526 1.00 16.31 O -ATOM 7392 N HIS D 65 59.122 -1.352 -14.680 1.00 11.39 N -ATOM 7393 CA HIS D 65 58.515 -2.268 -13.686 1.00 12.00 C -ATOM 7394 CB HIS D 65 59.079 -1.916 -12.294 1.00 14.23 C -ATOM 7395 CG HIS D 65 58.291 -2.381 -11.116 1.00 18.07 C -ATOM 7396 ND1 HIS D 65 57.178 -1.699 -10.633 1.00 21.70 N -ATOM 7397 CE1 HIS D 65 56.696 -2.358 -9.600 1.00 22.55 C -ATOM 7398 NE2 HIS D 65 57.528 -3.386 -9.329 1.00 20.72 N -ATOM 7399 CD2 HIS D 65 58.520 -3.396 -10.257 1.00 23.13 C -ATOM 7400 C HIS D 65 57.002 -2.157 -13.767 1.00 10.40 C -ATOM 7401 O HIS D 65 56.485 -1.070 -13.947 1.00 10.29 O -ATOM 7402 N TRP D 66 56.334 -3.280 -13.567 1.00 9.18 N -ATOM 7403 CA TRP D 66 54.876 -3.348 -13.358 1.00 8.96 C -ATOM 7404 CB TRP D 66 54.157 -3.774 -14.636 1.00 8.89 C -ATOM 7405 CG TRP D 66 54.238 -2.806 -15.781 1.00 8.86 C -ATOM 7406 CD1 TRP D 66 53.263 -1.929 -16.144 1.00 8.87 C -ATOM 7407 NE1 TRP D 66 53.643 -1.242 -17.258 1.00 9.33 N -ATOM 7408 CE2 TRP D 66 54.891 -1.617 -17.626 1.00 9.61 C -ATOM 7409 CD2 TRP D 66 55.310 -2.633 -16.738 1.00 9.62 C -ATOM 7410 CE3 TRP D 66 56.578 -3.185 -16.922 1.00 9.09 C -ATOM 7411 CZ3 TRP D 66 57.370 -2.726 -17.959 1.00 10.53 C -ATOM 7412 CH2 TRP D 66 56.900 -1.759 -18.843 1.00 10.56 C -ATOM 7413 CZ2 TRP D 66 55.664 -1.189 -18.700 1.00 10.10 C -ATOM 7414 C TRP D 66 54.543 -4.315 -12.220 1.00 9.27 C -ATOM 7415 O TRP D 66 55.334 -5.223 -11.949 1.00 9.29 O -ATOM 7416 N PHE D 67 53.440 -4.042 -11.568 1.00 8.27 N -ATOM 7417 CA PHE D 67 52.945 -4.891 -10.472 1.00 8.76 C -ATOM 7418 CB PHE D 67 52.150 -4.021 -9.520 1.00 8.68 C -ATOM 7419 CG PHE D 67 52.955 -2.989 -8.770 1.00 10.20 C -ATOM 7420 CD1 PHE D 67 53.592 -3.298 -7.570 1.00 11.85 C -ATOM 7421 CE1 PHE D 67 54.298 -2.344 -6.842 1.00 12.12 C -ATOM 7422 CZ PHE D 67 54.414 -1.071 -7.354 1.00 11.68 C -ATOM 7423 CD2 PHE D 67 53.115 -1.711 -9.279 1.00 11.61 C -ATOM 7424 CE2 PHE D 67 53.844 -0.762 -8.577 1.00 11.48 C -ATOM 7425 C PHE D 67 51.971 -5.935 -11.030 1.00 8.61 C -ATOM 7426 O PHE D 67 51.350 -5.692 -12.123 1.00 8.94 O -ATOM 7427 N VAL D 68 51.741 -7.018 -10.301 1.00 8.67 N -ATOM 7428 CA VAL D 68 50.710 -8.017 -10.691 1.00 8.03 C -ATOM 7429 CB VAL D 68 51.354 -9.337 -11.129 1.00 8.76 C -ATOM 7430 CG1 VAL D 68 50.339 -10.457 -11.274 1.00 8.66 C -ATOM 7431 CG2 VAL D 68 52.135 -9.164 -12.425 1.00 9.18 C -ATOM 7432 C VAL D 68 49.790 -8.197 -9.507 1.00 8.88 C -ATOM 7433 O VAL D 68 50.225 -8.643 -8.426 1.00 8.17 O -ATOM 7434 N ARG D 69 48.518 -7.941 -9.742 1.00 7.44 N -ATOM 7435 CA ARG D 69 47.418 -8.086 -8.774 1.00 8.90 C -ATOM 7436 CB ARG D 69 47.472 -6.997 -7.692 1.00 8.08 C -ATOM 7437 CG ARG D 69 47.258 -5.589 -8.234 1.00 8.39 C -ATOM 7438 CD ARG D 69 47.286 -4.628 -7.041 1.00 9.16 C -ATOM 7439 NE ARG D 69 47.040 -3.267 -7.498 1.00 9.64 N -ATOM 7440 CZ ARG D 69 47.937 -2.465 -8.048 1.00 9.50 C -ATOM 7441 NH1 ARG D 69 49.212 -2.786 -8.070 1.00 9.93 N -ATOM 7442 NH2 ARG D 69 47.537 -1.289 -8.528 1.00 10.01 N -ATOM 7443 C ARG D 69 46.099 -7.918 -9.517 1.00 9.01 C -ATOM 7444 O ARG D 69 46.069 -7.458 -10.688 1.00 9.78 O -ATOM 7445 N HIS D 70 45.022 -8.248 -8.835 1.00 9.42 N -ATOM 7446 CA HIS D 70 43.686 -8.188 -9.436 1.00 12.18 C -ATOM 7447 CB HIS D 70 42.799 -9.263 -8.821 1.00 12.18 C -ATOM 7448 CG HIS D 70 41.443 -9.293 -9.426 1.00 15.77 C -ATOM 7449 ND1 HIS D 70 41.234 -9.620 -10.743 1.00 20.63 N -ATOM 7450 CE1 HIS D 70 39.939 -9.586 -11.000 1.00 20.12 C -ATOM 7451 NE2 HIS D 70 39.311 -9.273 -9.886 1.00 18.66 N -ATOM 7452 CD2 HIS D 70 40.220 -9.091 -8.890 1.00 17.03 C -ATOM 7453 C HIS D 70 43.082 -6.792 -9.284 1.00 12.66 C -ATOM 7454 O HIS D 70 42.574 -6.258 -10.255 1.00 15.53 O -ATOM 7455 N ASN D 71 43.040 -6.242 -8.075 1.00 15.87 N -ATOM 7456 CA ASN D 71 42.221 -5.014 -7.876 1.00 16.92 C -ATOM 7457 CB ASN D 71 41.412 -5.102 -6.586 1.00 20.88 C -ATOM 7458 CG ASN D 71 40.501 -6.309 -6.572 1.00 22.16 C -ATOM 7459 OD1 ASN D 71 40.425 -7.013 -5.574 1.00 30.08 O -ATOM 7460 ND2 ASN D 71 39.819 -6.560 -7.682 1.00 25.91 N -ATOM 7461 C ASN D 71 43.069 -3.754 -7.909 1.00 14.64 C -ATOM 7462 O ASN D 71 44.278 -3.825 -7.825 1.00 12.88 O -ATOM 7463 N PRO D 72 42.453 -2.568 -8.105 1.00 13.88 N -ATOM 7464 CA PRO D 72 43.217 -1.318 -8.184 1.00 15.31 C -ATOM 7465 CB PRO D 72 42.163 -0.196 -8.308 1.00 15.91 C -ATOM 7466 CG PRO D 72 40.877 -0.909 -8.713 1.00 16.19 C -ATOM 7467 CD PRO D 72 41.005 -2.360 -8.274 1.00 15.20 C -ATOM 7468 C PRO D 72 44.115 -1.070 -6.972 1.00 14.34 C -ATOM 7469 O PRO D 72 45.188 -0.554 -7.183 1.00 14.15 O -ATOM 7470 N GLY D 73 43.677 -1.481 -5.778 1.00 17.07 N -ATOM 7471 CA GLY D 73 44.467 -1.407 -4.532 1.00 20.54 C -ATOM 7472 C GLY D 73 44.261 -0.101 -3.779 1.00 24.66 C -ATOM 7473 O GLY D 73 45.007 0.146 -2.782 1.00 26.57 O -ATOM 7474 N THR D 74 43.263 0.689 -4.195 1.00 28.79 N -ATOM 7475 CA THR D 74 42.907 2.025 -3.633 1.00 33.31 C -ATOM 7476 CB THR D 74 41.869 2.747 -4.514 1.00 33.43 C -ATOM 7477 OG1 THR D 74 42.335 2.809 -5.866 1.00 32.64 O -ATOM 7478 CG2 THR D 74 41.562 4.156 -4.048 1.00 35.65 C -ATOM 7479 C THR D 74 42.405 1.864 -2.189 1.00 36.47 C -ATOM 7480 O THR D 74 42.594 2.815 -1.385 1.00 36.52 O -ATOM 7481 N LEU D 75 41.767 0.728 -1.874 1.00 40.96 N -ATOM 7482 CA LEU D 75 41.258 0.398 -0.513 1.00 43.53 C -ATOM 7483 CB LEU D 75 39.724 0.376 -0.545 1.00 45.38 C -ATOM 7484 CG LEU D 75 39.019 1.697 -0.869 1.00 45.10 C -ATOM 7485 CD1 LEU D 75 37.508 1.504 -0.854 1.00 44.87 C -ATOM 7486 CD2 LEU D 75 39.425 2.813 0.094 1.00 44.57 C -ATOM 7487 C LEU D 75 41.805 -0.957 -0.034 1.00 45.61 C -ATOM 7488 O LEU D 75 41.801 -1.172 1.197 1.00 46.38 O -ATOM 7489 N PHE D 76 42.272 -1.818 -0.949 1.00 45.98 N -ATOM 7490 CA PHE D 76 42.459 -3.278 -0.728 1.00 46.56 C -ATOM 7491 CB PHE D 76 41.377 -4.033 -1.508 1.00 47.38 C -ATOM 7492 CG PHE D 76 40.051 -4.046 -0.793 1.00 50.11 C -ATOM 7493 CD1 PHE D 76 39.850 -4.884 0.295 1.00 50.75 C -ATOM 7494 CE1 PHE D 76 38.643 -4.879 0.978 1.00 52.50 C -ATOM 7495 CZ PHE D 76 37.629 -4.028 0.588 1.00 52.03 C -ATOM 7496 CD2 PHE D 76 39.027 -3.184 -1.166 1.00 51.61 C -ATOM 7497 CE2 PHE D 76 37.819 -3.181 -0.482 1.00 52.50 C -ATOM 7498 C PHE D 76 43.897 -3.691 -1.069 1.00 44.12 C -ATOM 7499 O PHE D 76 44.785 -2.823 -1.121 1.00 46.11 O -ATOM 7500 N GLN D 77 44.120 -4.995 -1.252 1.00 43.06 N -ATOM 7501 CA GLN D 77 45.451 -5.610 -1.498 1.00 37.27 C -ATOM 7502 CB GLN D 77 45.324 -7.113 -1.762 1.00 39.57 C -ATOM 7503 CG GLN D 77 44.696 -7.892 -0.611 1.00 40.42 C -ATOM 7504 CD GLN D 77 43.189 -7.795 -0.542 1.00 40.81 C -ATOM 7505 OE1 GLN D 77 42.540 -7.085 -1.313 1.00 40.07 O -ATOM 7506 NE2 GLN D 77 42.609 -8.515 0.404 1.00 43.73 N -ATOM 7507 C GLN D 77 46.118 -4.900 -2.680 1.00 33.02 C -ATOM 7508 O GLN D 77 45.840 -5.246 -3.842 1.00 35.64 O -ATOM 7509 N SER D 78 46.957 -3.917 -2.374 1.00 26.76 N -ATOM 7510 CA SER D 78 47.718 -3.102 -3.349 1.00 24.44 C -ATOM 7511 CB SER D 78 48.019 -1.772 -2.742 1.00 23.68 C -ATOM 7512 OG SER D 78 48.661 -1.956 -1.484 1.00 27.09 O -ATOM 7513 C SER D 78 49.012 -3.827 -3.747 1.00 21.56 C -ATOM 7514 O SER D 78 49.274 -4.948 -3.241 1.00 22.99 O -ATOM 7515 N GLY D 79 49.805 -3.186 -4.606 1.00 18.44 N -ATOM 7516 CA GLY D 79 51.146 -3.623 -5.014 1.00 14.49 C -ATOM 7517 C GLY D 79 51.080 -4.982 -5.674 1.00 11.94 C -ATOM 7518 O GLY D 79 50.382 -5.093 -6.683 1.00 11.10 O -ATOM 7519 N ASN D 80 51.796 -5.962 -5.153 1.00 11.06 N -ATOM 7520 CA ASN D 80 51.842 -7.324 -5.739 1.00 10.67 C -ATOM 7521 CB ASN D 80 53.252 -7.867 -5.862 1.00 11.12 C -ATOM 7522 CG ASN D 80 54.093 -7.014 -6.777 1.00 11.93 C -ATOM 7523 OD1 ASN D 80 55.232 -6.628 -6.451 1.00 13.62 O -ATOM 7524 ND2 ASN D 80 53.552 -6.748 -7.958 1.00 9.76 N -ATOM 7525 C ASN D 80 50.993 -8.250 -4.889 1.00 10.73 C -ATOM 7526 O ASN D 80 51.203 -8.360 -3.645 1.00 11.86 O -ATOM 7527 N ASP D 81 49.980 -8.873 -5.501 1.00 10.50 N -ATOM 7528 CA ASP D 81 49.094 -9.835 -4.799 1.00 10.69 C -ATOM 7529 CB ASP D 81 47.779 -9.166 -4.455 1.00 12.07 C -ATOM 7530 CG ASP D 81 46.826 -10.043 -3.666 1.00 15.08 C -ATOM 7531 OD1 ASP D 81 47.172 -11.225 -3.451 1.00 15.12 O -ATOM 7532 OD2 ASP D 81 45.709 -9.562 -3.391 1.00 19.32 O -ATOM 7533 C ASP D 81 48.919 -11.017 -5.749 1.00 10.51 C -ATOM 7534 O ASP D 81 48.050 -10.956 -6.647 1.00 10.83 O -ATOM 7535 N ASN D 82 49.809 -11.997 -5.663 1.00 9.53 N -ATOM 7536 CA ASN D 82 49.869 -13.055 -6.694 1.00 9.40 C -ATOM 7537 CB ASN D 82 50.481 -12.500 -7.994 1.00 9.23 C -ATOM 7538 CG ASN D 82 51.934 -12.108 -7.854 1.00 8.92 C -ATOM 7539 OD1 ASN D 82 52.770 -12.950 -7.541 1.00 10.27 O -ATOM 7540 ND2 ASN D 82 52.211 -10.826 -8.045 1.00 10.19 N -ATOM 7541 C ASN D 82 50.695 -14.212 -6.154 1.00 9.69 C -ATOM 7542 O ASN D 82 51.248 -14.134 -5.001 1.00 10.10 O -ATOM 7543 N ASN D 83 50.734 -15.315 -6.897 1.00 9.25 N -ATOM 7544 CA ASN D 83 51.343 -16.592 -6.476 1.00 10.09 C -ATOM 7545 CB ASN D 83 50.355 -17.730 -6.736 1.00 9.79 C -ATOM 7546 CG ASN D 83 49.937 -17.787 -8.193 1.00 10.00 C -ATOM 7547 OD1 ASN D 83 50.620 -17.256 -9.073 1.00 10.22 O -ATOM 7548 ND2 ASN D 83 48.854 -18.500 -8.448 1.00 10.69 N -ATOM 7549 C ASN D 83 52.677 -16.791 -7.179 1.00 10.30 C -ATOM 7550 O ASN D 83 53.152 -17.936 -7.220 1.00 9.60 O -ATOM 7551 N CYS D 84 53.268 -15.732 -7.743 1.00 9.43 N -ATOM 7552 CA CYS D 84 54.603 -15.813 -8.376 1.00 10.42 C -ATOM 7553 CB CYS D 84 54.805 -14.633 -9.316 1.00 9.91 C -ATOM 7554 SG CYS D 84 53.490 -14.492 -10.543 1.00 10.26 S -ATOM 7555 C CYS D 84 55.721 -15.821 -7.333 1.00 11.35 C -ATOM 7556 O CYS D 84 55.526 -15.280 -6.244 1.00 13.14 O -ATOM 7557 N THR D 85 56.857 -16.366 -7.702 1.00 13.22 N -ATOM 7558 CA THR D 85 58.024 -16.263 -6.790 1.00 16.37 C -ATOM 7559 CB THR D 85 59.076 -17.328 -7.094 1.00 19.73 C -ATOM 7560 OG1 THR D 85 59.648 -17.064 -8.361 1.00 21.76 O -ATOM 7561 CG2 THR D 85 58.502 -18.730 -7.075 1.00 19.91 C -ATOM 7562 C THR D 85 58.550 -14.822 -6.847 1.00 18.94 C -ATOM 7563 O THR D 85 58.349 -14.153 -7.876 1.00 23.16 O -ATOM 7564 N GLY D 86 59.150 -14.351 -5.752 1.00 24.79 N -ATOM 7565 CA GLY D 86 59.839 -13.046 -5.690 1.00 28.77 C -ATOM 7566 C GLY D 86 61.307 -13.218 -6.038 1.00 34.63 C -ATOM 7567 O GLY D 86 61.846 -14.307 -5.757 1.00 36.48 O -ATOM 7568 N ASP D 87 61.924 -12.208 -6.661 1.00 42.35 N -ATOM 7569 CA ASP D 87 63.340 -12.260 -7.118 1.00 48.09 C -ATOM 7570 CB ASP D 87 63.435 -12.193 -8.650 1.00 51.21 C -ATOM 7571 CG ASP D 87 62.751 -13.337 -9.396 1.00 52.26 C -ATOM 7572 OD1 ASP D 87 62.457 -14.376 -8.760 1.00 55.44 O -ATOM 7573 OD2 ASP D 87 62.523 -13.189 -10.616 1.00 51.14 O -ATOM 7574 C ASP D 87 64.137 -11.146 -6.421 1.00 49.03 C -ATOM 7575 O ASP D 87 65.037 -11.487 -5.616 1.00 50.58 O -ATOM 7576 N GLY D 88 63.797 -9.878 -6.702 1.00 51.25 N -ATOM 7577 CA GLY D 88 64.575 -8.682 -6.314 1.00 49.81 C -ATOM 7578 C GLY D 88 63.797 -7.763 -5.388 1.00 48.73 C -ATOM 7579 O GLY D 88 62.832 -7.154 -5.881 1.00 50.67 O -ATOM 7580 N THR D 90 65.864 -8.556 -0.790 1.00 51.08 N -ATOM 7581 CA THR D 90 64.467 -9.066 -0.694 1.00 50.32 C -ATOM 7582 CB THR D 90 63.552 -8.091 0.065 1.00 51.27 C -ATOM 7583 OG1 THR D 90 64.291 -7.362 1.050 1.00 48.73 O -ATOM 7584 CG2 THR D 90 62.402 -8.799 0.745 1.00 51.04 C -ATOM 7585 C THR D 90 63.910 -9.320 -2.101 1.00 47.41 C -ATOM 7586 O THR D 90 64.374 -8.647 -3.046 1.00 47.61 O -ATOM 7587 N GLY D 90A 62.940 -10.234 -2.215 1.00 44.31 N -ATOM 7588 CA GLY D 90A 62.264 -10.587 -3.479 1.00 40.35 C -ATOM 7589 C GLY D 90A 60.876 -9.965 -3.595 1.00 36.36 C -ATOM 7590 O GLY D 90A 60.004 -10.286 -2.756 1.00 37.32 O -ATOM 7591 N LYS D 91 60.661 -9.124 -4.613 1.00 29.58 N -ATOM 7592 CA LYS D 91 59.307 -8.639 -4.986 1.00 23.21 C -ATOM 7593 CB LYS D 91 59.319 -7.156 -5.371 1.00 27.41 C -ATOM 7594 CG LYS D 91 59.792 -6.851 -6.780 1.00 28.78 C -ATOM 7595 CD LYS D 91 60.465 -5.514 -6.914 1.00 29.98 C -ATOM 7596 CE LYS D 91 61.180 -5.405 -8.242 1.00 29.96 C -ATOM 7597 NZ LYS D 91 61.139 -4.020 -8.772 1.00 32.64 N -ATOM 7598 C LYS D 91 58.753 -9.527 -6.110 1.00 17.32 C -ATOM 7599 O LYS D 91 59.476 -9.835 -7.082 1.00 17.91 O -ATOM 7600 N ASN D 92 57.518 -9.960 -5.942 1.00 13.81 N -ATOM 7601 CA ASN D 92 56.819 -10.836 -6.922 1.00 12.66 C -ATOM 7602 CB ASN D 92 55.935 -11.863 -6.206 1.00 13.13 C -ATOM 7603 CG ASN D 92 55.034 -11.237 -5.177 1.00 14.09 C -ATOM 7604 OD1 ASN D 92 55.425 -10.263 -4.508 1.00 15.83 O -ATOM 7605 ND2 ASN D 92 53.828 -11.742 -5.071 1.00 11.91 N -ATOM 7606 C ASN D 92 56.069 -9.923 -7.901 1.00 11.90 C -ATOM 7607 O ASN D 92 54.853 -9.866 -7.846 1.00 11.15 O -ATOM 7608 N ASP D 93 56.797 -9.182 -8.708 1.00 10.57 N -ATOM 7609 CA ASP D 93 56.206 -8.235 -9.674 1.00 10.62 C -ATOM 7610 CB ASP D 93 57.093 -6.998 -9.722 1.00 10.79 C -ATOM 7611 CG ASP D 93 58.454 -7.229 -10.316 1.00 11.44 C -ATOM 7612 OD1 ASP D 93 58.863 -8.361 -10.467 1.00 12.37 O -ATOM 7613 OD2 ASP D 93 59.107 -6.202 -10.648 1.00 14.65 O -ATOM 7614 C ASP D 93 56.003 -8.888 -11.041 1.00 10.52 C -ATOM 7615 O ASP D 93 56.166 -10.092 -11.161 1.00 11.56 O -ATOM 7616 N LEU D 94 55.758 -8.085 -12.080 1.00 10.69 N -ATOM 7617 CA LEU D 94 55.504 -8.680 -13.406 1.00 10.09 C -ATOM 7618 CB LEU D 94 55.124 -7.602 -14.427 1.00 10.19 C -ATOM 7619 CG LEU D 94 54.995 -8.097 -15.869 1.00 10.28 C -ATOM 7620 CD1 LEU D 94 53.935 -9.178 -15.972 1.00 10.52 C -ATOM 7621 CD2 LEU D 94 54.723 -6.959 -16.829 1.00 9.57 C -ATOM 7622 C LEU D 94 56.750 -9.442 -13.841 1.00 9.56 C -ATOM 7623 O LEU D 94 56.649 -10.586 -14.297 1.00 9.61 O -ATOM 7624 N GLU D 95 57.938 -8.817 -13.727 1.00 9.95 N -ATOM 7625 CA GLU D 95 59.192 -9.460 -14.188 1.00 10.68 C -ATOM 7626 CB GLU D 95 60.350 -8.506 -13.921 1.00 12.30 C -ATOM 7627 CG GLU D 95 61.689 -9.105 -14.300 1.00 13.33 C -ATOM 7628 CD GLU D 95 62.855 -8.128 -14.357 1.00 14.45 C -ATOM 7629 OE1 GLU D 95 62.626 -6.932 -14.365 1.00 17.53 O -ATOM 7630 OE2 GLU D 95 64.021 -8.607 -14.451 1.00 17.33 O -ATOM 7631 C GLU D 95 59.379 -10.812 -13.487 1.00 9.95 C -ATOM 7632 O GLU D 95 59.798 -11.754 -14.122 1.00 11.35 O -ATOM 7633 N ALA D 96 59.123 -10.866 -12.189 1.00 10.87 N -ATOM 7634 CA ALA D 96 59.244 -12.111 -11.404 1.00 10.71 C -ATOM 7635 CB ALA D 96 58.959 -11.807 -9.964 1.00 10.74 C -ATOM 7636 C ALA D 96 58.287 -13.174 -11.965 1.00 10.99 C -ATOM 7637 O ALA D 96 58.706 -14.363 -12.138 1.00 11.40 O -ATOM 7638 N CYS D 97 57.049 -12.779 -12.267 1.00 9.99 N -ATOM 7639 CA CYS D 97 56.043 -13.727 -12.796 1.00 10.53 C -ATOM 7640 CB CYS D 97 54.665 -13.096 -12.902 1.00 9.87 C -ATOM 7641 SG CYS D 97 53.880 -12.688 -11.327 1.00 10.66 S -ATOM 7642 C CYS D 97 56.501 -14.230 -14.176 1.00 10.66 C -ATOM 7643 O CYS D 97 56.358 -15.415 -14.478 1.00 10.50 O -ATOM 7644 N LEU D 98 57.022 -13.341 -15.015 1.00 10.31 N -ATOM 7645 CA LEU D 98 57.494 -13.775 -16.354 1.00 10.76 C -ATOM 7646 CB LEU D 98 57.901 -12.547 -17.167 1.00 11.12 C -ATOM 7647 CG LEU D 98 56.780 -11.565 -17.456 1.00 11.46 C -ATOM 7648 CD1 LEU D 98 57.350 -10.361 -18.177 1.00 12.25 C -ATOM 7649 CD2 LEU D 98 55.686 -12.238 -18.234 1.00 11.12 C -ATOM 7650 C LEU D 98 58.701 -14.693 -16.198 1.00 11.30 C -ATOM 7651 O LEU D 98 58.793 -15.703 -16.914 1.00 11.54 O -ATOM 7652 N ASN D 99 59.549 -14.425 -15.218 1.00 11.74 N -ATOM 7653 CA ASN D 99 60.725 -15.284 -14.954 1.00 13.18 C -ATOM 7654 CB ASN D 99 61.658 -14.653 -13.927 1.00 14.22 C -ATOM 7655 CG ASN D 99 62.678 -13.757 -14.589 1.00 16.40 C -ATOM 7656 OD1 ASN D 99 63.232 -14.145 -15.610 1.00 19.59 O -ATOM 7657 ND2 ASN D 99 62.944 -12.607 -13.991 1.00 19.71 N -ATOM 7658 C ASN D 99 60.300 -16.679 -14.495 1.00 13.01 C -ATOM 7659 O ASN D 99 61.009 -17.654 -14.852 1.00 13.62 O -ATOM 7660 N ASP D 100 59.187 -16.811 -13.766 1.00 11.40 N -ATOM 7661 CA ASP D 100 58.697 -18.162 -13.390 1.00 13.49 C -ATOM 7662 CB ASP D 100 57.413 -18.080 -12.537 1.00 14.05 C -ATOM 7663 CG ASP D 100 57.664 -17.692 -11.086 1.00 13.98 C -ATOM 7664 OD1 ASP D 100 58.818 -17.811 -10.657 1.00 17.69 O -ATOM 7665 OD2 ASP D 100 56.725 -17.381 -10.377 1.00 13.74 O -ATOM 7666 C ASP D 100 58.418 -18.935 -14.677 1.00 13.39 C -ATOM 7667 O ASP D 100 58.647 -20.166 -14.724 1.00 13.46 O -ATOM 7668 N VAL D 101 57.816 -18.284 -15.678 1.00 13.62 N -ATOM 7669 CA VAL D 101 57.473 -18.973 -16.949 1.00 12.32 C -ATOM 7670 CB VAL D 101 56.507 -18.137 -17.802 1.00 12.00 C -ATOM 7671 CG1 VAL D 101 56.204 -18.853 -19.116 1.00 12.31 C -ATOM 7672 CG2 VAL D 101 55.236 -17.795 -17.019 1.00 11.81 C -ATOM 7673 C VAL D 101 58.775 -19.311 -17.654 1.00 11.52 C -ATOM 7674 O VAL D 101 58.919 -20.418 -18.155 1.00 11.71 O -ATOM 7675 N LYS D 102 59.665 -18.347 -17.755 1.00 11.41 N -ATOM 7676 CA LYS D 102 60.955 -18.553 -18.450 1.00 12.49 C -ATOM 7677 CB LYS D 102 61.774 -17.275 -18.354 1.00 14.50 C -ATOM 7678 CG LYS D 102 62.998 -17.284 -19.245 1.00 17.64 C -ATOM 7679 CD LYS D 102 63.908 -16.097 -19.067 1.00 22.82 C -ATOM 7680 CE LYS D 102 64.784 -16.061 -17.830 1.00 25.56 C -ATOM 7681 NZ LYS D 102 65.326 -14.688 -17.624 1.00 26.59 N -ATOM 7682 C LYS D 102 61.708 -19.730 -17.811 1.00 12.81 C -ATOM 7683 O LYS D 102 62.240 -20.586 -18.573 1.00 13.49 O -ATOM 7684 N ASN D 103 61.726 -19.815 -16.472 1.00 13.27 N -ATOM 7685 CA ASN D 103 62.459 -20.891 -15.752 1.00 15.37 C -ATOM 7686 CB ASN D 103 62.567 -20.625 -14.251 1.00 16.53 C -ATOM 7687 CG ASN D 103 63.423 -19.418 -13.913 1.00 18.24 C -ATOM 7688 OD1 ASN D 103 64.312 -19.034 -14.666 1.00 21.61 O -ATOM 7689 ND2 ASN D 103 63.149 -18.796 -12.786 1.00 20.44 N -ATOM 7690 C ASN D 103 61.768 -22.233 -15.997 1.00 16.03 C -ATOM 7691 O ASN D 103 62.507 -23.205 -16.287 1.00 16.20 O -ATOM 7692 N TRP D 104 60.432 -22.316 -15.929 1.00 13.82 N -ATOM 7693 CA TRP D 104 59.713 -23.558 -16.296 1.00 13.87 C -ATOM 7694 CB TRP D 104 58.202 -23.366 -16.198 1.00 12.90 C -ATOM 7695 CG TRP D 104 57.446 -24.650 -16.355 1.00 13.17 C -ATOM 7696 CD1 TRP D 104 57.027 -25.515 -15.383 1.00 13.32 C -ATOM 7697 NE1 TRP D 104 56.378 -26.586 -15.934 1.00 13.48 N -ATOM 7698 CE2 TRP D 104 56.409 -26.461 -17.301 1.00 12.46 C -ATOM 7699 CD2 TRP D 104 57.056 -25.245 -17.602 1.00 12.45 C -ATOM 7700 CE3 TRP D 104 57.230 -24.884 -18.939 1.00 12.35 C -ATOM 7701 CZ3 TRP D 104 56.744 -25.714 -19.909 1.00 12.13 C -ATOM 7702 CH2 TRP D 104 56.081 -26.894 -19.596 1.00 12.17 C -ATOM 7703 CZ2 TRP D 104 55.913 -27.302 -18.294 1.00 12.62 C -ATOM 7704 C TRP D 104 60.113 -23.972 -17.714 1.00 13.63 C -ATOM 7705 O TRP D 104 60.362 -25.176 -17.938 1.00 14.26 O -ATOM 7706 N SER D 105 60.108 -23.042 -18.666 1.00 12.81 N -ATOM 7707 CA SER D 105 60.429 -23.306 -20.089 1.00 13.97 C -ATOM 7708 CB SER D 105 60.329 -22.050 -20.920 1.00 13.53 C -ATOM 7709 OG SER D 105 60.929 -22.247 -22.182 1.00 13.27 O -ATOM 7710 C SER D 105 61.819 -23.942 -20.162 1.00 13.94 C -ATOM 7711 O SER D 105 61.954 -24.962 -20.843 1.00 13.12 O -ATOM 7712 N ASP D 106 62.806 -23.356 -19.484 1.00 14.68 N -ATOM 7713 CA ASP D 106 64.201 -23.870 -19.501 1.00 15.04 C -ATOM 7714 CB ASP D 106 65.121 -23.024 -18.639 1.00 16.22 C -ATOM 7715 CG ASP D 106 65.489 -21.677 -19.225 1.00 16.57 C -ATOM 7716 OD1 ASP D 106 65.272 -21.456 -20.445 1.00 18.15 O -ATOM 7717 OD2 ASP D 106 66.020 -20.851 -18.448 1.00 18.96 O -ATOM 7718 C ASP D 106 64.253 -25.309 -19.002 1.00 15.26 C -ATOM 7719 O ASP D 106 65.066 -26.063 -19.542 1.00 16.76 O -ATOM 7720 N LYS D 107 63.446 -25.667 -18.013 1.00 15.15 N -ATOM 7721 CA LYS D 107 63.462 -27.010 -17.379 1.00 17.86 C -ATOM 7722 CB LYS D 107 62.945 -26.891 -15.947 1.00 18.98 C -ATOM 7723 CG LYS D 107 63.948 -26.296 -14.969 1.00 22.08 C -ATOM 7724 CD LYS D 107 63.461 -26.335 -13.543 1.00 24.50 C -ATOM 7725 CE LYS D 107 63.371 -27.740 -12.979 1.00 26.79 C -ATOM 7726 NZ LYS D 107 62.163 -27.911 -12.132 1.00 28.62 N -ATOM 7727 C LYS D 107 62.592 -28.024 -18.128 1.00 17.15 C -ATOM 7728 O LYS D 107 62.622 -29.206 -17.753 1.00 18.01 O -ATOM 7729 N HIS D 108 61.853 -27.599 -19.157 1.00 16.49 N -ATOM 7730 CA HIS D 108 61.037 -28.488 -20.034 1.00 16.37 C -ATOM 7731 CB HIS D 108 59.559 -28.291 -19.727 1.00 16.69 C -ATOM 7732 CG HIS D 108 59.245 -28.636 -18.315 1.00 17.14 C -ATOM 7733 ND1 HIS D 108 59.493 -27.757 -17.288 1.00 15.91 N -ATOM 7734 CE1 HIS D 108 59.132 -28.306 -16.140 1.00 16.95 C -ATOM 7735 NE2 HIS D 108 58.695 -29.549 -16.399 1.00 17.01 N -ATOM 7736 CD2 HIS D 108 58.749 -29.761 -17.754 1.00 17.85 C -ATOM 7737 C HIS D 108 61.348 -28.236 -21.499 1.00 17.96 C -ATOM 7738 O HIS D 108 60.523 -27.781 -22.288 1.00 16.72 O -ATOM 7739 N PRO D 109 62.549 -28.615 -21.959 1.00 19.62 N -ATOM 7740 CA PRO D 109 62.869 -28.485 -23.371 1.00 19.05 C -ATOM 7741 CB PRO D 109 64.320 -28.977 -23.444 1.00 19.64 C -ATOM 7742 CG PRO D 109 64.493 -29.883 -22.246 1.00 21.35 C -ATOM 7743 CD PRO D 109 63.592 -29.304 -21.174 1.00 19.77 C -ATOM 7744 C PRO D 109 61.864 -29.315 -24.184 1.00 17.46 C -ATOM 7745 O PRO D 109 61.424 -30.359 -23.719 1.00 20.56 O -ATOM 7746 N GLY D 110 61.431 -28.771 -25.317 1.00 19.37 N -ATOM 7747 CA GLY D 110 60.472 -29.448 -26.198 1.00 16.58 C -ATOM 7748 C GLY D 110 59.033 -29.192 -25.796 1.00 15.75 C -ATOM 7749 O GLY D 110 58.150 -29.870 -26.341 1.00 15.76 O -ATOM 7750 N HIS D 111 58.778 -28.235 -24.894 1.00 14.14 N -ATOM 7751 CA HIS D 111 57.391 -27.979 -24.440 1.00 12.66 C -ATOM 7752 CB HIS D 111 57.338 -27.043 -23.226 1.00 13.05 C -ATOM 7753 CG HIS D 111 57.868 -25.665 -23.426 1.00 11.91 C -ATOM 7754 ND1 HIS D 111 57.122 -24.659 -24.038 1.00 11.44 N -ATOM 7755 CE1 HIS D 111 57.805 -23.548 -23.997 1.00 11.13 C -ATOM 7756 NE2 HIS D 111 59.024 -23.782 -23.426 1.00 12.18 N -ATOM 7757 CD2 HIS D 111 59.011 -25.089 -23.023 1.00 12.38 C -ATOM 7758 C HIS D 111 56.529 -27.450 -25.583 1.00 10.50 C -ATOM 7759 O HIS D 111 56.983 -26.674 -26.434 1.00 11.66 O -ATOM 7760 N PHE D 112 55.278 -27.776 -25.461 1.00 10.89 N -ATOM 7761 CA PHE D 112 54.219 -27.194 -26.292 1.00 10.35 C -ATOM 7762 CB PHE D 112 52.896 -27.796 -25.866 1.00 11.17 C -ATOM 7763 C PHE D 112 54.261 -25.690 -26.060 1.00 10.01 C -ATOM 7764 O PHE D 112 54.553 -25.223 -24.950 1.00 10.67 O -ATOM 7765 N PRO D 113 54.036 -24.858 -27.080 1.00 10.08 N -ATOM 7766 CA PRO D 113 54.227 -23.424 -26.928 1.00 9.80 C -ATOM 7767 CB PRO D 113 53.854 -22.869 -28.317 1.00 10.07 C -ATOM 7768 CG PRO D 113 52.935 -23.958 -28.876 1.00 9.25 C -ATOM 7769 CD PRO D 113 53.663 -25.218 -28.454 1.00 9.20 C -ATOM 7770 C PRO D 113 53.336 -22.873 -25.809 1.00 8.46 C -ATOM 7771 O PRO D 113 52.194 -23.293 -25.668 1.00 8.64 O -ATOM 7772 N ILE D 114 53.925 -21.983 -25.029 1.00 8.76 N -ATOM 7773 CA ILE D 114 53.210 -21.308 -23.931 1.00 8.18 C -ATOM 7774 CB ILE D 114 54.158 -21.106 -22.742 1.00 9.65 C -ATOM 7775 CG1 ILE D 114 54.575 -22.449 -22.157 1.00 10.63 C -ATOM 7776 CG2 ILE D 114 53.521 -20.216 -21.703 1.00 9.70 C -ATOM 7777 CD1 ILE D 114 55.739 -22.370 -21.187 1.00 12.04 C -ATOM 7778 C ILE D 114 52.642 -19.984 -24.426 1.00 7.80 C -ATOM 7779 O ILE D 114 53.380 -19.188 -24.999 1.00 9.36 O -ATOM 7780 N THR D 115 51.397 -19.750 -24.086 1.00 7.23 N -ATOM 7781 CA THR D 115 50.742 -18.460 -24.384 1.00 7.24 C -ATOM 7782 CB THR D 115 49.477 -18.662 -25.214 1.00 7.87 C -ATOM 7783 OG1 THR D 115 49.813 -19.310 -26.427 1.00 8.40 O -ATOM 7784 CG2 THR D 115 48.869 -17.341 -25.606 1.00 8.66 C -ATOM 7785 C THR D 115 50.469 -17.735 -23.069 1.00 7.03 C -ATOM 7786 O THR D 115 49.843 -18.295 -22.190 1.00 7.72 O -ATOM 7787 N LEU D 116 50.950 -16.513 -22.971 1.00 6.96 N -ATOM 7788 CA LEU D 116 50.710 -15.684 -21.754 1.00 7.47 C -ATOM 7789 CB LEU D 116 52.017 -15.154 -21.187 1.00 9.33 C -ATOM 7790 CG LEU D 116 53.064 -16.139 -20.715 1.00 11.09 C -ATOM 7791 CD1 LEU D 116 54.199 -15.383 -20.034 1.00 11.11 C -ATOM 7792 CD2 LEU D 116 52.435 -17.163 -19.790 1.00 11.56 C -ATOM 7793 C LEU D 116 49.824 -14.517 -22.131 1.00 6.99 C -ATOM 7794 O LEU D 116 50.222 -13.667 -22.911 1.00 7.63 O -ATOM 7795 N ILE D 117 48.678 -14.462 -21.510 1.00 6.40 N -ATOM 7796 CA ILE D 117 47.751 -13.340 -21.694 1.00 6.68 C -ATOM 7797 CB ILE D 117 46.312 -13.819 -21.470 1.00 7.98 C -ATOM 7798 CG1 ILE D 117 45.973 -15.081 -22.284 1.00 9.16 C -ATOM 7799 CG2 ILE D 117 45.270 -12.689 -21.575 1.00 9.20 C -ATOM 7800 CD1 ILE D 117 46.019 -14.933 -23.809 1.00 8.56 C -ATOM 7801 C ILE D 117 48.140 -12.263 -20.679 1.00 6.65 C -ATOM 7802 O ILE D 117 48.077 -12.505 -19.476 1.00 7.80 O -ATOM 7803 N LEU D 118 48.539 -11.115 -21.183 1.00 6.50 N -ATOM 7804 CA LEU D 118 49.033 -9.972 -20.381 1.00 6.80 C -ATOM 7805 CB LEU D 118 50.364 -9.458 -20.917 1.00 7.62 C -ATOM 7806 CG LEU D 118 51.422 -10.555 -21.028 1.00 8.49 C -ATOM 7807 CD1 LEU D 118 52.660 -9.971 -21.618 1.00 9.42 C -ATOM 7808 CD2 LEU D 118 51.702 -11.230 -19.685 1.00 9.87 C -ATOM 7809 C LEU D 118 47.908 -8.948 -20.389 1.00 6.55 C -ATOM 7810 O LEU D 118 47.742 -8.227 -21.371 1.00 7.04 O -ATOM 7811 N ASP D 119 47.118 -8.945 -19.339 1.00 7.40 N -ATOM 7812 CA ASP D 119 45.903 -8.144 -19.235 1.00 7.12 C -ATOM 7813 CB ASP D 119 44.831 -8.929 -18.501 1.00 8.15 C -ATOM 7814 CG ASP D 119 43.466 -8.300 -18.498 1.00 9.91 C -ATOM 7815 OD1 ASP D 119 43.302 -7.348 -19.280 1.00 10.66 O -ATOM 7816 OD2 ASP D 119 42.556 -8.817 -17.798 1.00 11.34 O -ATOM 7817 C ASP D 119 46.314 -6.841 -18.542 1.00 7.12 C -ATOM 7818 O ASP D 119 46.450 -6.783 -17.295 1.00 7.58 O -ATOM 7819 N LYS D 120 46.468 -5.817 -19.357 1.00 7.22 N -ATOM 7820 CA LYS D 120 46.983 -4.516 -18.899 1.00 7.78 C -ATOM 7821 CB LYS D 120 47.529 -3.730 -20.079 1.00 7.54 C -ATOM 7822 CG LYS D 120 48.262 -2.485 -19.621 1.00 7.86 C -ATOM 7823 CD LYS D 120 48.840 -1.707 -20.756 1.00 9.28 C -ATOM 7824 CE LYS D 120 50.069 -0.906 -20.366 1.00 11.12 C -ATOM 7825 NZ LYS D 120 49.905 -0.097 -19.140 1.00 9.45 N -ATOM 7826 C LYS D 120 45.837 -3.754 -18.232 1.00 7.14 C -ATOM 7827 O LYS D 120 44.750 -3.650 -18.779 1.00 7.98 O -ATOM 7828 N LYS D 121 46.096 -3.181 -17.051 1.00 7.97 N -ATOM 7829 CA LYS D 121 44.991 -2.564 -16.266 1.00 8.75 C -ATOM 7830 CB LYS D 121 44.996 -3.144 -14.853 1.00 9.35 C -ATOM 7831 CG LYS D 121 44.670 -4.616 -14.833 1.00 9.73 C -ATOM 7832 CD LYS D 121 43.305 -4.967 -15.307 1.00 11.53 C -ATOM 7833 CE LYS D 121 43.121 -6.458 -15.499 1.00 13.66 C -ATOM 7834 NZ LYS D 121 41.808 -6.787 -16.083 1.00 14.54 N -ATOM 7835 C LYS D 121 45.017 -1.041 -16.240 1.00 9.55 C -ATOM 7836 O LYS D 121 44.011 -0.477 -15.787 1.00 9.75 O -ATOM 7837 N GLN D 122 46.092 -0.410 -16.643 1.00 9.32 N -ATOM 7838 CA GLN D 122 46.210 1.070 -16.673 1.00 9.90 C -ATOM 7839 CB GLN D 122 47.123 1.542 -15.544 1.00 10.94 C -ATOM 7840 CG GLN D 122 46.449 1.347 -14.205 1.00 11.85 C -ATOM 7841 CD GLN D 122 47.258 1.591 -12.956 1.00 13.11 C -ATOM 7842 OE1 GLN D 122 48.434 1.284 -12.874 1.00 11.03 O -ATOM 7843 NE2 GLN D 122 46.566 2.011 -11.905 1.00 19.92 N -ATOM 7844 C GLN D 122 46.742 1.454 -18.054 1.00 10.76 C -ATOM 7845 O GLN D 122 46.998 0.568 -18.901 1.00 11.58 O -ATOM 7846 N GLY D 123 46.907 2.747 -18.313 1.00 10.90 N -ATOM 7847 CA GLY D 123 47.390 3.244 -19.603 1.00 11.35 C -ATOM 7848 C GLY D 123 48.881 3.123 -19.738 1.00 10.73 C -ATOM 7849 O GLY D 123 49.568 2.785 -18.770 1.00 10.91 O -ATOM 7850 N TRP D 124 49.402 3.448 -20.913 1.00 10.53 N -ATOM 7851 CA TRP D 124 50.842 3.558 -21.151 1.00 9.94 C -ATOM 7852 CB TRP D 124 51.122 3.590 -22.653 1.00 10.09 C -ATOM 7853 CG TRP D 124 50.716 2.319 -23.327 1.00 9.47 C -ATOM 7854 CD1 TRP D 124 49.660 2.119 -24.159 1.00 9.56 C -ATOM 7855 NE1 TRP D 124 49.573 0.797 -24.518 1.00 9.14 N -ATOM 7856 CE2 TRP D 124 50.604 0.125 -23.931 1.00 8.42 C -ATOM 7857 CD2 TRP D 124 51.350 1.056 -23.180 1.00 9.23 C -ATOM 7858 CE3 TRP D 124 52.469 0.617 -22.469 1.00 9.58 C -ATOM 7859 CZ3 TRP D 124 52.802 -0.714 -22.513 1.00 9.93 C -ATOM 7860 CH2 TRP D 124 52.076 -1.625 -23.279 1.00 9.10 C -ATOM 7861 CZ2 TRP D 124 50.949 -1.222 -23.963 1.00 8.67 C -ATOM 7862 C TRP D 124 51.351 4.839 -20.483 1.00 11.75 C -ATOM 7863 O TRP D 124 50.629 5.827 -20.434 1.00 13.01 O -ATOM 7864 N SER D 125 52.564 4.807 -19.999 1.00 10.97 N -ATOM 7865 CA SER D 125 53.261 6.051 -19.581 1.00 11.80 C -ATOM 7866 CB SER D 125 54.308 5.791 -18.529 1.00 11.67 C -ATOM 7867 OG SER D 125 55.555 5.404 -19.089 1.00 12.56 O -ATOM 7868 C SER D 125 53.896 6.719 -20.787 1.00 13.38 C -ATOM 7869 O SER D 125 54.042 6.072 -21.833 1.00 12.73 O -ATOM 7870 N LYS D 126 54.394 7.947 -20.581 1.00 13.91 N -ATOM 7871 CA LYS D 126 55.336 8.640 -21.502 1.00 16.67 C -ATOM 7872 CB LYS D 126 55.196 10.156 -21.369 1.00 19.06 C -ATOM 7873 CG LYS D 126 53.797 10.669 -21.643 1.00 21.63 C -ATOM 7874 CD LYS D 126 53.408 10.476 -23.075 1.00 24.12 C -ATOM 7875 CE LYS D 126 52.214 11.325 -23.459 1.00 26.93 C -ATOM 7876 NZ LYS D 126 51.694 10.905 -24.779 1.00 27.50 N -ATOM 7877 C LYS D 126 56.769 8.198 -21.205 1.00 15.91 C -ATOM 7878 O LYS D 126 57.007 7.445 -20.240 1.00 13.25 O -ATOM 7879 N GLU D 127 57.710 8.637 -22.039 1.00 18.23 N -ATOM 7880 CA GLU D 127 59.091 8.125 -22.003 1.00 19.49 C -ATOM 7881 CB GLU D 127 59.980 8.786 -23.056 1.00 23.03 C -ATOM 7882 CG GLU D 127 61.253 8.009 -23.309 1.00 27.98 C -ATOM 7883 CD GLU D 127 61.952 8.306 -24.624 1.00 31.61 C -ATOM 7884 OE1 GLU D 127 61.805 9.443 -25.127 1.00 37.06 O -ATOM 7885 OE2 GLU D 127 62.649 7.395 -25.136 1.00 36.86 O -ATOM 7886 C GLU D 127 59.660 8.355 -20.604 1.00 17.15 C -ATOM 7887 O GLU D 127 60.324 7.491 -20.104 1.00 15.15 O -ATOM 7888 N SER D 128 59.435 9.531 -20.008 1.00 18.06 N -ATOM 7889 CA SER D 128 60.099 9.879 -18.726 1.00 18.08 C -ATOM 7890 CB SER D 128 59.711 11.259 -18.263 1.00 22.08 C -ATOM 7891 OG SER D 128 60.474 12.229 -18.955 1.00 26.51 O -ATOM 7892 C SER D 128 59.806 8.845 -17.635 1.00 18.37 C -ATOM 7893 O SER D 128 60.707 8.558 -16.852 1.00 19.21 O -ATOM 7894 N SER D 129 58.602 8.274 -17.625 1.00 14.74 N -ATOM 7895 CA SER D 129 58.159 7.350 -16.551 1.00 13.92 C -ATOM 7896 CB SER D 129 56.713 7.445 -16.299 1.00 13.25 C -ATOM 7897 OG SER D 129 56.399 8.648 -15.610 1.00 13.94 O -ATOM 7898 C SER D 129 58.623 5.913 -16.810 1.00 13.66 C -ATOM 7899 O SER D 129 58.470 5.078 -15.920 1.00 14.62 O -ATOM 7900 N GLY D 130 59.155 5.601 -17.991 1.00 13.04 N -ATOM 7901 CA GLY D 130 59.807 4.308 -18.240 1.00 12.42 C -ATOM 7902 C GLY D 130 58.845 3.139 -18.384 1.00 11.38 C -ATOM 7903 O GLY D 130 59.302 1.998 -18.168 1.00 10.74 O -ATOM 7904 N ARG D 131 57.579 3.418 -18.759 1.00 10.51 N -ATOM 7905 CA ARG D 131 56.564 2.331 -18.933 1.00 10.56 C -ATOM 7906 CB ARG D 131 55.644 2.241 -17.716 1.00 10.55 C -ATOM 7907 CG ARG D 131 56.360 1.796 -16.451 1.00 10.88 C -ATOM 7908 CD ARG D 131 55.407 1.512 -15.336 1.00 11.25 C -ATOM 7909 NE ARG D 131 54.662 2.706 -15.036 1.00 11.67 N -ATOM 7910 CZ ARG D 131 55.051 3.720 -14.273 1.00 13.33 C -ATOM 7911 NH1 ARG D 131 56.164 3.641 -13.572 1.00 12.55 N -ATOM 7912 NH2 ARG D 131 54.288 4.780 -14.153 1.00 13.11 N -ATOM 7913 C ARG D 131 55.825 2.552 -20.254 1.00 10.26 C -ATOM 7914 O ARG D 131 54.597 2.415 -20.325 1.00 9.59 O -ATOM 7915 N THR D 132 56.582 2.831 -21.301 1.00 10.46 N -ATOM 7916 CA THR D 132 56.059 2.967 -22.672 1.00 9.95 C -ATOM 7917 CB THR D 132 56.975 3.812 -23.558 1.00 11.39 C -ATOM 7918 OG1 THR D 132 58.160 3.055 -23.753 1.00 11.14 O -ATOM 7919 CG2 THR D 132 57.235 5.187 -22.987 1.00 11.20 C -ATOM 7920 C THR D 132 55.915 1.588 -23.294 1.00 9.78 C -ATOM 7921 O THR D 132 56.438 0.618 -22.808 1.00 9.65 O -ATOM 7922 N PRO D 133 55.233 1.496 -24.468 1.00 10.16 N -ATOM 7923 CA PRO D 133 55.242 0.259 -25.248 1.00 9.31 C -ATOM 7924 CB PRO D 133 54.528 0.631 -26.535 1.00 10.08 C -ATOM 7925 CG PRO D 133 53.573 1.685 -26.075 1.00 10.08 C -ATOM 7926 CD PRO D 133 54.340 2.493 -25.040 1.00 10.63 C -ATOM 7927 C PRO D 133 56.664 -0.252 -25.471 1.00 10.04 C -ATOM 7928 O PRO D 133 56.877 -1.400 -25.396 1.00 9.72 O -ATOM 7929 N LYS D 134 57.619 0.654 -25.781 1.00 10.98 N -ATOM 7930 CA LYS D 134 59.024 0.231 -26.006 1.00 11.70 C -ATOM 7931 CB LYS D 134 59.861 1.389 -26.564 1.00 13.31 C -ATOM 7932 CG LYS D 134 61.365 1.149 -26.606 1.00 15.04 C -ATOM 7933 CD LYS D 134 61.763 -0.047 -27.460 1.00 19.22 C -ATOM 7934 CE LYS D 134 63.243 -0.059 -27.795 1.00 20.58 C -ATOM 7935 NZ LYS D 134 63.671 -1.397 -28.281 1.00 21.94 N -ATOM 7936 C LYS D 134 59.604 -0.373 -24.705 1.00 10.29 C -ATOM 7937 O LYS D 134 60.315 -1.364 -24.745 1.00 10.45 O -ATOM 7938 N ASP D 135 59.371 0.270 -23.572 1.00 10.49 N -ATOM 7939 CA ASP D 135 59.884 -0.250 -22.281 1.00 11.03 C -ATOM 7940 CB ASP D 135 59.560 0.664 -21.116 1.00 11.50 C -ATOM 7941 CG ASP D 135 60.235 2.014 -21.258 1.00 12.62 C -ATOM 7942 OD1 ASP D 135 61.457 2.015 -21.373 1.00 14.66 O -ATOM 7943 OD2 ASP D 135 59.547 3.017 -21.290 1.00 13.63 O -ATOM 7944 C ASP D 135 59.324 -1.655 -22.037 1.00 10.14 C -ATOM 7945 O ASP D 135 60.014 -2.527 -21.520 1.00 10.57 O -ATOM 7946 N PHE D 136 58.050 -1.843 -22.366 1.00 10.00 N -ATOM 7947 CA PHE D 136 57.376 -3.148 -22.172 1.00 10.29 C -ATOM 7948 CB PHE D 136 55.885 -2.954 -22.433 1.00 10.72 C -ATOM 7949 CG PHE D 136 55.014 -4.130 -22.106 1.00 11.43 C -ATOM 7950 CD1 PHE D 136 54.838 -4.501 -20.781 1.00 12.33 C -ATOM 7951 CE1 PHE D 136 54.011 -5.546 -20.432 1.00 15.31 C -ATOM 7952 CZ PHE D 136 53.367 -6.238 -21.415 1.00 16.22 C -ATOM 7953 CD2 PHE D 136 54.393 -4.866 -23.096 1.00 13.42 C -ATOM 7954 CE2 PHE D 136 53.544 -5.909 -22.738 1.00 15.38 C -ATOM 7955 C PHE D 136 58.060 -4.223 -23.035 1.00 9.58 C -ATOM 7956 O PHE D 136 58.338 -5.306 -22.552 1.00 9.36 O -ATOM 7957 N ASP D 137 58.201 -3.929 -24.324 1.00 10.20 N -ATOM 7958 CA ASP D 137 58.884 -4.858 -25.251 1.00 10.56 C -ATOM 7959 CB ASP D 137 58.939 -4.254 -26.644 1.00 10.64 C -ATOM 7960 CG ASP D 137 57.730 -4.554 -27.514 1.00 10.78 C -ATOM 7961 OD1 ASP D 137 56.740 -5.130 -26.981 1.00 10.51 O -ATOM 7962 OD2 ASP D 137 57.794 -4.188 -28.704 1.00 11.33 O -ATOM 7963 C ASP D 137 60.297 -5.136 -24.743 1.00 10.18 C -ATOM 7964 O ASP D 137 60.745 -6.297 -24.806 1.00 10.99 O -ATOM 7965 N GLU D 138 60.977 -4.110 -24.219 1.00 9.63 N -ATOM 7966 CA GLU D 138 62.367 -4.329 -23.711 1.00 12.17 C -ATOM 7967 CB GLU D 138 63.085 -3.015 -23.407 1.00 13.87 C -ATOM 7968 CG GLU D 138 63.444 -2.259 -24.672 1.00 16.10 C -ATOM 7969 CD GLU D 138 64.207 -0.975 -24.408 1.00 19.38 C -ATOM 7970 OE1 GLU D 138 63.842 -0.247 -23.484 1.00 24.49 O -ATOM 7971 OE2 GLU D 138 65.176 -0.729 -25.129 1.00 26.82 O -ATOM 7972 C GLU D 138 62.331 -5.291 -22.524 1.00 12.36 C -ATOM 7973 O GLU D 138 63.179 -6.169 -22.464 1.00 13.40 O -ATOM 7974 N LEU D 139 61.365 -5.146 -21.614 1.00 11.28 N -ATOM 7975 CA LEU D 139 61.275 -6.091 -20.490 1.00 11.34 C -ATOM 7976 CB LEU D 139 60.169 -5.630 -19.546 1.00 12.12 C -ATOM 7977 CG LEU D 139 59.710 -6.699 -18.550 1.00 13.74 C -ATOM 7978 CD1 LEU D 139 60.798 -7.022 -17.544 1.00 15.08 C -ATOM 7979 CD2 LEU D 139 58.457 -6.253 -17.827 1.00 14.95 C -ATOM 7980 C LEU D 139 61.040 -7.509 -20.999 1.00 10.94 C -ATOM 7981 O LEU D 139 61.726 -8.454 -20.537 1.00 11.67 O -ATOM 7982 N VAL D 140 60.019 -7.711 -21.836 1.00 11.17 N -ATOM 7983 CA VAL D 140 59.635 -9.113 -22.166 1.00 10.93 C -ATOM 7984 CB VAL D 140 58.251 -9.180 -22.843 1.00 11.10 C -ATOM 7985 CG1 VAL D 140 57.180 -8.551 -21.943 1.00 10.51 C -ATOM 7986 CG2 VAL D 140 58.197 -8.529 -24.229 1.00 10.35 C -ATOM 7987 C VAL D 140 60.770 -9.774 -22.984 1.00 11.31 C -ATOM 7988 O VAL D 140 61.003 -10.967 -22.837 1.00 12.12 O -ATOM 7989 N ALA D 141 61.484 -8.987 -23.786 1.00 12.13 N -ATOM 7990 CA ALA D 141 62.648 -9.468 -24.574 1.00 14.62 C -ATOM 7991 CB ALA D 141 63.041 -8.431 -25.593 1.00 17.11 C -ATOM 7992 C ALA D 141 63.820 -9.822 -23.646 1.00 14.83 C -ATOM 7993 O ALA D 141 64.454 -10.877 -23.850 1.00 15.34 O -ATOM 7994 N ARG D 142 64.070 -8.977 -22.660 1.00 13.93 N -ATOM 7995 CA ARG D 142 65.138 -9.206 -21.656 1.00 15.57 C -ATOM 7996 CB ARG D 142 65.277 -7.990 -20.741 1.00 17.20 C -ATOM 7997 CG ARG D 142 66.438 -8.084 -19.758 1.00 19.54 C -ATOM 7998 CD ARG D 142 66.480 -6.801 -18.974 1.00 23.16 C -ATOM 7999 NE ARG D 142 65.344 -6.811 -18.079 1.00 26.39 N -ATOM 8000 CZ ARG D 142 64.964 -5.808 -17.315 1.00 30.40 C -ATOM 8001 NH1 ARG D 142 65.624 -4.661 -17.329 1.00 34.87 N -ATOM 8002 NH2 ARG D 142 63.919 -5.956 -16.528 1.00 28.89 N -ATOM 8003 C ARG D 142 64.849 -10.499 -20.885 1.00 14.40 C -ATOM 8004 O ARG D 142 65.771 -11.293 -20.641 1.00 15.35 O -ATOM 8005 N VAL D 143 63.599 -10.759 -20.515 1.00 14.24 N -ATOM 8006 CA VAL D 143 63.273 -11.988 -19.760 1.00 13.59 C -ATOM 8007 CB VAL D 143 61.914 -11.881 -19.036 1.00 13.11 C -ATOM 8008 CG1 VAL D 143 61.466 -13.216 -18.482 1.00 13.95 C -ATOM 8009 CG2 VAL D 143 61.938 -10.815 -17.941 1.00 13.85 C -ATOM 8010 C VAL D 143 63.353 -13.194 -20.707 1.00 12.71 C -ATOM 8011 O VAL D 143 64.005 -14.191 -20.326 1.00 13.91 O -ATOM 8012 N PHE D 144 62.663 -13.184 -21.857 1.00 12.47 N -ATOM 8013 CA PHE D 144 62.433 -14.424 -22.639 1.00 13.42 C -ATOM 8014 CB PHE D 144 61.049 -14.408 -23.285 1.00 13.06 C -ATOM 8015 CG PHE D 144 59.961 -14.560 -22.258 1.00 11.56 C -ATOM 8016 CD1 PHE D 144 59.802 -15.757 -21.605 1.00 11.99 C -ATOM 8017 CE1 PHE D 144 58.806 -15.917 -20.659 1.00 11.15 C -ATOM 8018 CZ PHE D 144 58.000 -14.859 -20.300 1.00 11.58 C -ATOM 8019 CD2 PHE D 144 59.135 -13.506 -21.893 1.00 12.60 C -ATOM 8020 CE2 PHE D 144 58.154 -13.667 -20.929 1.00 11.70 C -ATOM 8021 C PHE D 144 63.487 -14.656 -23.709 1.00 16.65 C -ATOM 8022 O PHE D 144 63.607 -15.819 -24.116 1.00 16.56 O -ATOM 8023 N GLN D 145 64.152 -13.606 -24.173 1.00 20.71 N -ATOM 8024 CA GLN D 145 65.367 -13.747 -25.018 1.00 26.42 C -ATOM 8025 CB GLN D 145 66.588 -13.952 -24.117 1.00 27.57 C -ATOM 8026 CG GLN D 145 67.043 -12.702 -23.383 1.00 32.35 C -ATOM 8027 CD GLN D 145 67.514 -11.626 -24.332 1.00 34.83 C -ATOM 8028 OE1 GLN D 145 68.284 -11.895 -25.251 1.00 38.48 O -ATOM 8029 NE2 GLN D 145 67.064 -10.398 -24.114 1.00 39.23 N -ATOM 8030 C GLN D 145 65.284 -14.990 -25.912 1.00 28.26 C -ATOM 8031 O GLN D 145 65.648 -16.088 -25.434 1.00 33.87 O -ATOM 8032 N GLY D 146 64.885 -14.831 -27.162 1.00 26.42 N -ATOM 8033 CA GLY D 146 64.896 -15.924 -28.152 1.00 18.86 C -ATOM 8034 C GLY D 146 63.749 -16.891 -27.983 1.00 14.79 C -ATOM 8035 O GLY D 146 63.381 -17.504 -28.988 1.00 14.84 O -ATOM 8036 N LYS D 147 63.120 -16.987 -26.808 1.00 13.88 N -ATOM 8037 CA LYS D 147 61.962 -17.908 -26.673 1.00 11.84 C -ATOM 8038 CB LYS D 147 61.643 -18.170 -25.203 1.00 11.50 C -ATOM 8039 CG LYS D 147 62.638 -19.036 -24.456 1.00 11.78 C -ATOM 8040 CD LYS D 147 62.221 -19.215 -23.014 1.00 12.60 C -ATOM 8041 CE LYS D 147 63.307 -19.845 -22.161 1.00 12.92 C -ATOM 8042 NZ LYS D 147 63.516 -21.239 -22.599 1.00 14.24 N -ATOM 8043 C LYS D 147 60.741 -17.346 -27.401 1.00 9.40 C -ATOM 8044 O LYS D 147 59.861 -18.146 -27.669 1.00 10.55 O -ATOM 8045 N LEU D 148 60.686 -16.034 -27.586 1.00 9.19 N -ATOM 8046 CA LEU D 148 59.449 -15.408 -28.119 1.00 9.14 C -ATOM 8047 CB LEU D 148 59.505 -13.889 -27.995 1.00 9.88 C -ATOM 8048 CG LEU D 148 59.573 -13.405 -26.550 1.00 10.24 C -ATOM 8049 CD1 LEU D 148 59.462 -11.893 -26.503 1.00 11.17 C -ATOM 8050 CD2 LEU D 148 58.508 -14.054 -25.666 1.00 10.19 C -ATOM 8051 C LEU D 148 59.186 -15.804 -29.564 1.00 9.21 C -ATOM 8052 O LEU D 148 60.128 -15.898 -30.409 1.00 10.53 O -ATOM 8053 N PHE D 149 57.918 -16.017 -29.853 1.00 8.68 N -ATOM 8054 CA PHE D 149 57.344 -16.051 -31.217 1.00 8.53 C -ATOM 8055 CB PHE D 149 56.576 -17.341 -31.445 1.00 8.55 C -ATOM 8056 CG PHE D 149 55.924 -17.437 -32.798 1.00 8.51 C -ATOM 8057 CD1 PHE D 149 56.656 -17.830 -33.899 1.00 9.39 C -ATOM 8058 CE1 PHE D 149 56.070 -17.946 -35.151 1.00 9.09 C -ATOM 8059 CZ PHE D 149 54.726 -17.685 -35.303 1.00 9.29 C -ATOM 8060 CD2 PHE D 149 54.564 -17.223 -32.954 1.00 8.76 C -ATOM 8061 CE2 PHE D 149 53.979 -17.325 -34.206 1.00 9.12 C -ATOM 8062 C PHE D 149 56.443 -14.816 -31.315 1.00 8.37 C -ATOM 8063 O PHE D 149 55.499 -14.691 -30.479 1.00 8.85 O -ATOM 8064 N THR D 150 56.691 -13.930 -32.259 1.00 8.86 N -ATOM 8065 CA THR D 150 56.075 -12.595 -32.323 1.00 8.83 C -ATOM 8066 CB THR D 150 57.151 -11.518 -32.301 1.00 9.67 C -ATOM 8067 OG1 THR D 150 57.844 -11.607 -33.554 1.00 10.54 O -ATOM 8068 CG2 THR D 150 58.105 -11.681 -31.138 1.00 10.16 C -ATOM 8069 C THR D 150 55.247 -12.434 -33.584 1.00 8.37 C -ATOM 8070 O THR D 150 55.299 -13.241 -34.529 1.00 7.96 O -ATOM 8071 N PRO D 151 54.468 -11.324 -33.670 1.00 7.93 N -ATOM 8072 CA PRO D 151 53.684 -11.111 -34.884 1.00 8.44 C -ATOM 8073 CB PRO D 151 53.046 -9.738 -34.589 1.00 8.65 C -ATOM 8074 CG PRO D 151 52.837 -9.738 -33.091 1.00 7.53 C -ATOM 8075 CD PRO D 151 54.130 -10.362 -32.590 1.00 8.37 C -ATOM 8076 C PRO D 151 54.526 -11.117 -36.177 1.00 8.59 C -ATOM 8077 O PRO D 151 54.110 -11.669 -37.190 1.00 8.23 O -ATOM 8078 N GLN D 152 55.697 -10.489 -36.174 1.00 9.02 N -ATOM 8079 CA GLN D 152 56.553 -10.496 -37.393 1.00 9.63 C -ATOM 8080 CB GLN D 152 57.774 -9.596 -37.191 1.00 9.97 C -ATOM 8081 CG GLN D 152 58.776 -9.645 -38.357 1.00 10.82 C -ATOM 8082 CD GLN D 152 58.158 -9.059 -39.598 1.00 12.05 C -ATOM 8083 OE1 GLN D 152 57.958 -7.859 -39.676 1.00 13.17 O -ATOM 8084 NE2 GLN D 152 57.806 -9.907 -40.555 1.00 13.21 N -ATOM 8085 C GLN D 152 56.951 -11.929 -37.739 1.00 9.53 C -ATOM 8086 O GLN D 152 57.058 -12.236 -38.917 1.00 10.11 O -ATOM 8087 N ASP D 153 57.179 -12.802 -36.773 1.00 8.81 N -ATOM 8088 CA ASP D 153 57.544 -14.202 -37.075 1.00 9.66 C -ATOM 8089 CB ASP D 153 57.916 -14.917 -35.787 1.00 9.28 C -ATOM 8090 CG ASP D 153 59.069 -14.262 -35.046 1.00 9.91 C -ATOM 8091 OD1 ASP D 153 59.984 -13.713 -35.696 1.00 10.12 O -ATOM 8092 OD2 ASP D 153 59.075 -14.341 -33.814 1.00 10.26 O -ATOM 8093 C ASP D 153 56.366 -14.871 -37.789 1.00 9.39 C -ATOM 8094 O ASP D 153 56.564 -15.651 -38.725 1.00 9.72 O -ATOM 8095 N LEU D 154 55.139 -14.585 -37.344 1.00 9.32 N -ATOM 8096 CA LEU D 154 53.964 -15.192 -37.967 1.00 8.04 C -ATOM 8097 CB LEU D 154 52.724 -14.942 -37.119 1.00 7.99 C -ATOM 8098 CG LEU D 154 51.402 -15.447 -37.704 1.00 7.86 C -ATOM 8099 CD1 LEU D 154 51.379 -16.959 -37.906 1.00 7.80 C -ATOM 8100 CD2 LEU D 154 50.244 -15.003 -36.822 1.00 8.12 C -ATOM 8101 C LEU D 154 53.831 -14.619 -39.362 1.00 8.25 C -ATOM 8102 O LEU D 154 53.509 -15.376 -40.291 1.00 8.71 O -ATOM 8103 N ALA D 155 54.031 -13.331 -39.515 1.00 8.00 N -ATOM 8104 CA ALA D 155 53.891 -12.688 -40.838 1.00 8.58 C -ATOM 8105 CB ALA D 155 54.074 -11.214 -40.687 1.00 9.36 C -ATOM 8106 C ALA D 155 54.866 -13.309 -41.840 1.00 9.73 C -ATOM 8107 O ALA D 155 54.475 -13.641 -42.968 1.00 10.24 O -ATOM 8108 N THR D 156 56.116 -13.486 -41.411 1.00 9.36 N -ATOM 8109 CA THR D 156 57.137 -14.103 -42.284 1.00 10.06 C -ATOM 8110 CB THR D 156 58.516 -14.046 -41.621 1.00 11.15 C -ATOM 8111 OG1 THR D 156 58.832 -12.658 -41.541 1.00 11.82 O -ATOM 8112 CG2 THR D 156 59.565 -14.794 -42.422 1.00 11.72 C -ATOM 8113 C THR D 156 56.653 -15.506 -42.640 1.00 10.95 C -ATOM 8114 O THR D 156 56.685 -15.895 -43.825 1.00 11.64 O -ATOM 8115 N HIS D 157 56.132 -16.261 -41.685 1.00 10.84 N -ATOM 8116 CA HIS D 157 55.643 -17.641 -41.929 1.00 10.75 C -ATOM 8117 CB HIS D 157 55.059 -18.269 -40.659 1.00 11.52 C -ATOM 8118 CG HIS D 157 54.575 -19.656 -40.866 1.00 11.12 C -ATOM 8119 ND1 HIS D 157 55.422 -20.744 -41.081 1.00 13.69 N -ATOM 8120 CE1 HIS D 157 54.695 -21.819 -41.287 1.00 15.65 C -ATOM 8121 NE2 HIS D 157 53.423 -21.471 -41.258 1.00 14.40 N -ATOM 8122 CD2 HIS D 157 53.324 -20.121 -41.036 1.00 12.11 C -ATOM 8123 C HIS D 157 54.608 -17.676 -43.059 1.00 10.75 C -ATOM 8124 O HIS D 157 54.652 -18.538 -43.910 1.00 12.13 O -ATOM 8125 N ILE D 158 53.659 -16.751 -43.035 1.00 10.26 N -ATOM 8126 CA ILE D 158 52.542 -16.737 -44.019 1.00 11.07 C -ATOM 8127 CB ILE D 158 51.196 -16.319 -43.391 1.00 10.38 C -ATOM 8128 CG1 ILE D 158 51.140 -14.844 -42.992 1.00 10.65 C -ATOM 8129 CG2 ILE D 158 50.923 -17.242 -42.228 1.00 10.94 C -ATOM 8130 CD1 ILE D 158 49.723 -14.289 -42.855 1.00 10.71 C -ATOM 8131 C ILE D 158 52.884 -15.888 -45.252 1.00 11.76 C -ATOM 8132 O ILE D 158 52.011 -15.776 -46.106 1.00 13.38 O -ATOM 8133 N GLY D 159 54.030 -15.212 -45.340 1.00 12.04 N -ATOM 8134 CA GLY D 159 54.400 -14.391 -46.523 1.00 12.32 C -ATOM 8135 C GLY D 159 53.699 -13.045 -46.567 1.00 12.53 C -ATOM 8136 O GLY D 159 53.472 -12.551 -47.674 1.00 14.22 O -ATOM 8137 N SER D 160 53.429 -12.454 -45.399 1.00 11.91 N -ATOM 8138 CA SER D 160 52.684 -11.194 -45.253 1.00 11.50 C -ATOM 8139 CB SER D 160 51.461 -11.450 -44.418 1.00 11.96 C -ATOM 8140 OG SER D 160 50.680 -10.272 -44.239 1.00 11.28 O -ATOM 8141 C SER D 160 53.562 -10.127 -44.611 1.00 11.26 C -ATOM 8142 O SER D 160 54.403 -10.499 -43.793 1.00 12.05 O -ATOM 8143 N GLY D 161 53.296 -8.850 -44.847 1.00 11.81 N -ATOM 8144 CA GLY D 161 53.764 -7.835 -43.894 1.00 11.77 C -ATOM 8145 C GLY D 161 53.042 -7.979 -42.567 1.00 11.44 C -ATOM 8146 O GLY D 161 51.873 -8.439 -42.503 1.00 9.72 O -ATOM 8147 N ALA D 162 53.679 -7.646 -41.475 1.00 10.55 N -ATOM 8148 CA ALA D 162 53.067 -7.768 -40.141 1.00 10.36 C -ATOM 8149 CB ALA D 162 54.080 -7.316 -39.145 1.00 11.11 C -ATOM 8150 C ALA D 162 51.819 -6.903 -40.049 1.00 8.80 C -ATOM 8151 O ALA D 162 50.886 -7.291 -39.328 1.00 9.70 O -ATOM 8152 N GLY D 163 51.850 -5.740 -40.697 1.00 9.42 N -ATOM 8153 CA GLY D 163 50.729 -4.797 -40.736 1.00 8.98 C -ATOM 8154 C GLY D 163 49.578 -5.233 -41.610 1.00 8.07 C -ATOM 8155 O GLY D 163 48.624 -4.467 -41.746 1.00 9.41 O -ATOM 8156 N ALA D 164 49.627 -6.422 -42.195 1.00 8.22 N -ATOM 8157 CA ALA D 164 48.494 -6.972 -42.962 1.00 8.74 C -ATOM 8158 CB ALA D 164 48.779 -6.880 -44.446 1.00 10.08 C -ATOM 8159 C ALA D 164 48.230 -8.415 -42.527 1.00 8.45 C -ATOM 8160 O ALA D 164 47.504 -9.151 -43.240 1.00 8.90 O -ATOM 8161 N LEU D 165 48.675 -8.773 -41.325 1.00 7.52 N -ATOM 8162 CA LEU D 165 48.290 -10.084 -40.739 1.00 7.05 C -ATOM 8163 CB LEU D 165 48.798 -10.180 -39.290 1.00 7.00 C -ATOM 8164 CG LEU D 165 50.249 -10.602 -39.141 1.00 7.58 C -ATOM 8165 CD1 LEU D 165 50.710 -10.381 -37.709 1.00 8.60 C -ATOM 8166 CD2 LEU D 165 50.433 -12.042 -39.563 1.00 8.28 C -ATOM 8167 C LEU D 165 46.758 -10.213 -40.705 1.00 6.77 C -ATOM 8168 O LEU D 165 46.243 -11.316 -40.897 1.00 7.09 O -ATOM 8169 N GLN D 166 46.046 -9.142 -40.345 1.00 6.12 N -ATOM 8170 CA GLN D 166 44.605 -9.235 -40.011 1.00 6.26 C -ATOM 8171 CB GLN D 166 44.101 -7.837 -39.770 1.00 6.57 C -ATOM 8172 CG GLN D 166 42.621 -7.807 -39.452 1.00 7.11 C -ATOM 8173 CD GLN D 166 41.982 -6.437 -39.466 1.00 7.62 C -ATOM 8174 OE1 GLN D 166 42.302 -5.594 -40.298 1.00 9.43 O -ATOM 8175 NE2 GLN D 166 41.065 -6.169 -38.562 1.00 7.42 N -ATOM 8176 C GLN D 166 43.847 -9.963 -41.116 1.00 5.65 C -ATOM 8177 O GLN D 166 43.135 -10.932 -40.844 1.00 6.18 O -ATOM 8178 N GLY D 167 44.054 -9.482 -42.345 1.00 6.32 N -ATOM 8179 CA GLY D 167 43.377 -10.064 -43.509 1.00 7.03 C -ATOM 8180 C GLY D 167 44.168 -11.161 -44.191 1.00 6.94 C -ATOM 8181 O GLY D 167 43.573 -12.087 -44.751 1.00 8.43 O -ATOM 8182 N ASN D 168 45.485 -11.133 -44.135 1.00 7.33 N -ATOM 8183 CA ASN D 168 46.280 -12.141 -44.888 1.00 7.97 C -ATOM 8184 CB ASN D 168 47.683 -11.642 -45.164 1.00 9.04 C -ATOM 8185 CG ASN D 168 47.701 -10.555 -46.218 1.00 10.06 C -ATOM 8186 OD1 ASN D 168 46.704 -10.359 -46.917 1.00 12.78 O -ATOM 8187 ND2 ASN D 168 48.793 -9.844 -46.329 1.00 10.28 N -ATOM 8188 C ASN D 168 46.296 -13.478 -44.169 1.00 8.18 C -ATOM 8189 O ASN D 168 46.565 -14.490 -44.812 1.00 8.85 O -ATOM 8190 N LEU D 169 45.957 -13.531 -42.877 1.00 7.43 N -ATOM 8191 CA LEU D 169 45.855 -14.825 -42.175 1.00 7.44 C -ATOM 8192 CB LEU D 169 45.693 -14.598 -40.681 1.00 7.03 C -ATOM 8193 CG LEU D 169 47.032 -14.342 -39.982 1.00 6.96 C -ATOM 8194 CD1 LEU D 169 46.787 -13.713 -38.614 1.00 6.73 C -ATOM 8195 CD2 LEU D 169 47.796 -15.649 -39.830 1.00 8.01 C -ATOM 8196 C LEU D 169 44.678 -15.662 -42.659 1.00 7.56 C -ATOM 8197 O LEU D 169 44.722 -16.870 -42.459 1.00 7.34 O -ATOM 8198 N LYS D 170 43.652 -15.064 -43.269 1.00 8.47 N -ATOM 8199 CA LYS D 170 42.506 -15.869 -43.737 1.00 9.43 C -ATOM 8200 CB LYS D 170 41.449 -14.953 -44.346 1.00 10.22 C -ATOM 8201 CG LYS D 170 40.169 -15.696 -44.669 1.00 12.40 C -ATOM 8202 CD LYS D 170 39.177 -14.795 -45.348 1.00 16.78 C -ATOM 8203 CE LYS D 170 39.633 -14.266 -46.681 1.00 21.73 C -ATOM 8204 NZ LYS D 170 38.491 -13.555 -47.278 1.00 26.45 N -ATOM 8205 C LYS D 170 43.007 -16.881 -44.779 1.00 10.66 C -ATOM 8206 O LYS D 170 43.632 -16.481 -45.757 1.00 10.69 O -ATOM 8207 N GLY D 171 42.696 -18.132 -44.524 1.00 12.26 N -ATOM 8208 CA GLY D 171 43.048 -19.270 -45.381 1.00 13.76 C -ATOM 8209 C GLY D 171 44.446 -19.758 -45.088 1.00 13.60 C -ATOM 8210 O GLY D 171 44.886 -20.694 -45.773 1.00 16.84 O -ATOM 8211 N LYS D 172 45.134 -19.225 -44.068 1.00 13.17 N -ATOM 8212 CA LYS D 172 46.535 -19.642 -43.831 1.00 13.51 C -ATOM 8213 CB LYS D 172 47.496 -18.442 -43.821 1.00 14.98 C -ATOM 8214 CG LYS D 172 47.710 -17.717 -45.151 1.00 18.91 C -ATOM 8215 CD LYS D 172 47.957 -18.624 -46.331 1.00 22.60 C -ATOM 8216 CE LYS D 172 47.583 -17.977 -47.648 1.00 26.41 C -ATOM 8217 NZ LYS D 172 48.168 -18.713 -48.796 1.00 31.82 N -ATOM 8218 C LYS D 172 46.636 -20.406 -42.519 1.00 12.33 C -ATOM 8219 O LYS D 172 45.824 -20.237 -41.589 1.00 13.81 O -ATOM 8220 N SER D 173 47.649 -21.255 -42.448 1.00 11.11 N -ATOM 8221 CA SER D 173 48.013 -22.010 -41.233 1.00 11.84 C -ATOM 8222 CB SER D 173 48.387 -23.435 -41.578 1.00 12.25 C -ATOM 8223 OG SER D 173 47.295 -24.106 -42.183 1.00 15.12 O -ATOM 8224 C SER D 173 49.148 -21.301 -40.479 1.00 10.24 C -ATOM 8225 O SER D 173 50.146 -20.841 -41.078 1.00 10.81 O -ATOM 8226 N TRP D 174 49.023 -21.219 -39.155 1.00 9.75 N -ATOM 8227 CA TRP D 174 50.148 -20.880 -38.277 1.00 9.11 C -ATOM 8228 CB TRP D 174 49.661 -20.697 -36.843 1.00 8.45 C -ATOM 8229 CG TRP D 174 48.870 -19.447 -36.594 1.00 8.45 C -ATOM 8230 CD1 TRP D 174 47.811 -18.964 -37.313 1.00 8.33 C -ATOM 8231 NE1 TRP D 174 47.327 -17.812 -36.760 1.00 8.81 N -ATOM 8232 CE2 TRP D 174 48.074 -17.507 -35.659 1.00 8.42 C -ATOM 8233 CD2 TRP D 174 49.078 -18.502 -35.542 1.00 8.64 C -ATOM 8234 CE3 TRP D 174 50.007 -18.409 -34.503 1.00 9.48 C -ATOM 8235 CZ3 TRP D 174 49.893 -17.360 -33.628 1.00 9.49 C -ATOM 8236 CH2 TRP D 174 48.932 -16.360 -33.801 1.00 9.29 C -ATOM 8237 CZ2 TRP D 174 47.987 -16.424 -34.792 1.00 8.99 C -ATOM 8238 C TRP D 174 51.150 -22.015 -38.345 1.00 8.77 C -ATOM 8239 O TRP D 174 50.810 -23.151 -38.721 1.00 10.78 O -ATOM 8240 N PRO D 175 52.382 -21.787 -37.846 1.00 9.11 N -ATOM 8241 CA PRO D 175 53.271 -22.922 -37.603 1.00 9.91 C -ATOM 8242 CB PRO D 175 54.506 -22.277 -36.973 1.00 9.45 C -ATOM 8243 CG PRO D 175 54.432 -20.818 -37.350 1.00 9.23 C -ATOM 8244 CD PRO D 175 52.955 -20.508 -37.398 1.00 9.33 C -ATOM 8245 C PRO D 175 52.607 -23.931 -36.656 1.00 10.24 C -ATOM 8246 O PRO D 175 51.681 -23.589 -35.880 1.00 9.68 O -ATOM 8247 N THR D 176 52.997 -25.189 -36.772 1.00 10.76 N -ATOM 8248 CA THR D 176 52.435 -26.281 -35.935 1.00 10.54 C -ATOM 8249 CB THR D 176 52.758 -27.662 -36.518 1.00 10.98 C -ATOM 8250 OG1 THR D 176 54.170 -27.779 -36.419 1.00 13.32 O -ATOM 8251 CG2 THR D 176 52.250 -27.838 -37.932 1.00 12.80 C -ATOM 8252 C THR D 176 52.943 -26.163 -34.502 1.00 9.91 C -ATOM 8253 O THR D 176 53.936 -25.480 -34.265 1.00 9.82 O -ATOM 8254 N ALA D 177 52.299 -26.842 -33.570 1.00 10.56 N -ATOM 8255 CA ALA D 177 52.857 -26.942 -32.203 1.00 10.71 C -ATOM 8256 CB ALA D 177 51.959 -27.734 -31.312 1.00 11.20 C -ATOM 8257 C ALA D 177 54.300 -27.464 -32.237 1.00 11.49 C -ATOM 8258 O ALA D 177 55.120 -26.945 -31.491 1.00 10.45 O -ATOM 8259 N ASN D 178 54.586 -28.464 -33.067 1.00 13.03 N -ATOM 8260 CA ASN D 178 55.963 -29.005 -33.185 1.00 14.35 C -ATOM 8261 CB ASN D 178 56.011 -30.207 -34.128 1.00 17.38 C -ATOM 8262 CG ASN D 178 57.388 -30.832 -34.163 1.00 21.03 C -ATOM 8263 OD1 ASN D 178 57.908 -31.233 -33.125 1.00 28.02 O -ATOM 8264 ND2 ASN D 178 57.996 -30.876 -35.338 1.00 27.55 N -ATOM 8265 C ASN D 178 56.886 -27.875 -33.632 1.00 12.56 C -ATOM 8266 O ASN D 178 57.965 -27.679 -33.040 1.00 13.14 O -ATOM 8267 N ASP D 179 56.486 -27.095 -34.637 1.00 11.89 N -ATOM 8268 CA ASP D 179 57.328 -25.961 -35.096 1.00 12.70 C -ATOM 8269 CB ASP D 179 56.646 -25.176 -36.208 1.00 13.42 C -ATOM 8270 CG ASP D 179 56.445 -25.919 -37.522 1.00 14.00 C -ATOM 8271 OD1 ASP D 179 57.190 -26.887 -37.821 1.00 15.29 O -ATOM 8272 OD2 ASP D 179 55.532 -25.509 -38.275 1.00 14.61 O -ATOM 8273 C ASP D 179 57.583 -24.976 -33.963 1.00 12.11 C -ATOM 8274 O ASP D 179 58.622 -24.309 -33.944 1.00 12.90 O -ATOM 8275 N LEU D 180 56.610 -24.860 -33.067 1.00 11.26 N -ATOM 8276 CA LEU D 180 56.653 -23.851 -31.975 1.00 11.69 C -ATOM 8277 CB LEU D 180 55.279 -23.205 -31.835 1.00 10.54 C -ATOM 8278 CG LEU D 180 54.776 -22.387 -33.016 1.00 11.19 C -ATOM 8279 CD1 LEU D 180 53.332 -22.030 -32.805 1.00 12.24 C -ATOM 8280 CD2 LEU D 180 55.628 -21.155 -33.159 1.00 11.10 C -ATOM 8281 C LEU D 180 57.112 -24.486 -30.663 1.00 10.84 C -ATOM 8282 O LEU D 180 56.921 -23.906 -29.592 1.00 11.36 O -ATOM 8283 N GLN D 181 57.804 -25.636 -30.724 1.00 12.06 N -ATOM 8284 CA GLN D 181 58.245 -26.272 -29.469 1.00 12.99 C -ATOM 8285 CB GLN D 181 58.871 -27.646 -29.714 1.00 15.44 C -ATOM 8286 CG GLN D 181 60.163 -27.663 -30.504 1.00 20.04 C -ATOM 8287 CD GLN D 181 60.857 -28.982 -30.257 1.00 22.66 C -ATOM 8288 OE1 GLN D 181 60.225 -30.011 -29.990 1.00 24.38 O -ATOM 8289 NE2 GLN D 181 62.178 -28.948 -30.262 1.00 28.57 N -ATOM 8290 C GLN D 181 59.193 -25.307 -28.763 1.00 10.91 C -ATOM 8291 O GLN D 181 60.024 -24.633 -29.398 1.00 12.90 O -ATOM 8292 N GLY D 182 59.035 -25.222 -27.444 1.00 12.10 N -ATOM 8293 CA GLY D 182 59.932 -24.342 -26.671 1.00 12.38 C -ATOM 8294 C GLY D 182 59.631 -22.849 -26.835 1.00 11.51 C -ATOM 8295 O GLY D 182 60.378 -22.040 -26.290 1.00 12.26 O -ATOM 8296 N LYS D 183 58.577 -22.454 -27.549 1.00 11.91 N -ATOM 8297 CA LYS D 183 58.280 -21.015 -27.746 1.00 10.56 C -ATOM 8298 CB LYS D 183 57.748 -20.782 -29.159 1.00 11.39 C -ATOM 8299 CG LYS D 183 58.695 -21.238 -30.269 1.00 13.55 C -ATOM 8300 CD LYS D 183 60.118 -20.720 -30.130 1.00 15.37 C -ATOM 8301 CE LYS D 183 60.461 -19.510 -30.959 1.00 19.69 C -ATOM 8302 NZ LYS D 183 61.538 -18.718 -30.310 1.00 14.94 N -ATOM 8303 C LYS D 183 57.306 -20.460 -26.701 1.00 9.95 C -ATOM 8304 O LYS D 183 56.577 -21.221 -26.060 1.00 9.79 O -ATOM 8305 N VAL D 184 57.385 -19.145 -26.558 1.00 9.23 N -ATOM 8306 CA VAL D 184 56.448 -18.339 -25.739 1.00 8.63 C -ATOM 8307 CB VAL D 184 57.159 -17.727 -24.531 1.00 9.30 C -ATOM 8308 CG1 VAL D 184 56.259 -16.776 -23.770 1.00 9.72 C -ATOM 8309 CG2 VAL D 184 57.694 -18.804 -23.592 1.00 10.36 C -ATOM 8310 C VAL D 184 55.805 -17.290 -26.630 1.00 8.05 C -ATOM 8311 O VAL D 184 56.509 -16.589 -27.357 1.00 8.24 O -ATOM 8312 N LEU D 185 54.475 -17.217 -26.536 1.00 7.46 N -ATOM 8313 CA LEU D 185 53.655 -16.205 -27.250 1.00 7.74 C -ATOM 8314 CB LEU D 185 52.523 -16.844 -28.064 1.00 8.30 C -ATOM 8315 CG LEU D 185 52.926 -17.580 -29.334 1.00 8.98 C -ATOM 8316 CD1 LEU D 185 53.651 -18.858 -29.010 1.00 10.51 C -ATOM 8317 CD2 LEU D 185 51.690 -17.908 -30.155 1.00 9.24 C -ATOM 8318 C LEU D 185 53.084 -15.281 -26.205 1.00 7.58 C -ATOM 8319 O LEU D 185 52.477 -15.776 -25.287 1.00 8.85 O -ATOM 8320 N LEU D 186 53.269 -14.008 -26.366 1.00 6.95 N -ATOM 8321 CA LEU D 186 52.729 -12.993 -25.463 1.00 7.34 C -ATOM 8322 CB LEU D 186 53.817 -11.959 -25.139 1.00 6.93 C -ATOM 8323 CG LEU D 186 55.089 -12.569 -24.548 1.00 7.96 C -ATOM 8324 CD1 LEU D 186 56.105 -11.482 -24.322 1.00 9.56 C -ATOM 8325 CD2 LEU D 186 54.839 -13.316 -23.242 1.00 9.01 C -ATOM 8326 C LEU D 186 51.530 -12.323 -26.130 1.00 6.91 C -ATOM 8327 O LEU D 186 51.642 -11.931 -27.305 1.00 7.12 O -ATOM 8328 N VAL D 187 50.502 -12.041 -25.338 1.00 6.74 N -ATOM 8329 CA VAL D 187 49.241 -11.465 -25.878 1.00 6.69 C -ATOM 8330 CB VAL D 187 48.130 -12.515 -25.854 1.00 6.83 C -ATOM 8331 CG1 VAL D 187 46.871 -11.952 -26.505 1.00 7.13 C -ATOM 8332 CG2 VAL D 187 48.593 -13.790 -26.585 1.00 6.75 C -ATOM 8333 C VAL D 187 48.876 -10.281 -25.003 1.00 6.55 C -ATOM 8334 O VAL D 187 48.866 -10.430 -23.775 1.00 8.43 O -ATOM 8335 N LEU D 188 48.545 -9.146 -25.580 1.00 6.03 N -ATOM 8336 CA LEU D 188 48.098 -7.947 -24.853 1.00 6.41 C -ATOM 8337 CB LEU D 188 48.691 -6.707 -25.479 1.00 6.86 C -ATOM 8338 CG LEU D 188 48.424 -5.407 -24.726 1.00 7.42 C -ATOM 8339 CD1 LEU D 188 49.074 -5.403 -23.336 1.00 8.51 C -ATOM 8340 CD2 LEU D 188 48.881 -4.229 -25.557 1.00 8.39 C -ATOM 8341 C LEU D 188 46.584 -7.865 -24.867 1.00 6.59 C -ATOM 8342 O LEU D 188 45.936 -7.954 -25.944 1.00 6.50 O -ATOM 8343 N ASN D 189 45.996 -7.725 -23.694 1.00 6.43 N -ATOM 8344 CA ASN D 189 44.575 -7.382 -23.527 1.00 6.95 C -ATOM 8345 CB ASN D 189 43.802 -8.477 -22.795 1.00 7.24 C -ATOM 8346 CG ASN D 189 43.608 -9.778 -23.538 1.00 7.41 C -ATOM 8347 OD1 ASN D 189 43.900 -9.935 -24.717 1.00 9.05 O -ATOM 8348 ND2 ASN D 189 43.045 -10.733 -22.843 1.00 7.26 N -ATOM 8349 C ASN D 189 44.459 -6.072 -22.758 1.00 6.93 C -ATOM 8350 O ASN D 189 45.411 -5.728 -21.999 1.00 7.11 O -ATOM 8351 N HIS D 190 43.324 -5.402 -22.889 1.00 7.91 N -ATOM 8352 CA HIS D 190 42.970 -4.212 -22.092 1.00 7.62 C -ATOM 8353 CB HIS D 190 43.757 -2.983 -22.581 1.00 8.03 C -ATOM 8354 CG HIS D 190 43.693 -1.786 -21.685 1.00 8.22 C -ATOM 8355 ND1 HIS D 190 42.568 -0.981 -21.630 1.00 8.58 N -ATOM 8356 CE1 HIS D 190 42.808 -0.027 -20.758 1.00 9.15 C -ATOM 8357 NE2 HIS D 190 44.032 -0.195 -20.249 1.00 9.45 N -ATOM 8358 CD2 HIS D 190 44.588 -1.293 -20.811 1.00 9.55 C -ATOM 8359 C HIS D 190 41.473 -4.033 -22.230 1.00 8.60 C -ATOM 8360 O HIS D 190 40.924 -4.511 -23.198 1.00 9.50 O -ATOM 8361 N SER D 191 40.834 -3.361 -21.309 1.00 8.81 N -ATOM 8362 CA SER D 191 39.389 -3.083 -21.489 1.00 9.93 C -ATOM 8363 CB SER D 191 38.788 -2.504 -20.256 1.00 12.62 C -ATOM 8364 OG SER D 191 39.333 -1.252 -19.958 1.00 16.07 O -ATOM 8365 C SER D 191 39.157 -2.177 -22.706 1.00 9.39 C -ATOM 8366 O SER D 191 38.065 -2.198 -23.259 1.00 10.39 O -ATOM 8367 N GLU D 192 40.134 -1.371 -23.068 1.00 8.78 N -ATOM 8368 CA GLU D 192 40.005 -0.348 -24.127 1.00 8.62 C -ATOM 8369 CB GLU D 192 40.371 1.056 -23.654 1.00 9.78 C -ATOM 8370 CG GLU D 192 39.587 1.493 -22.434 1.00 11.83 C -ATOM 8371 CD GLU D 192 40.137 2.722 -21.746 1.00 14.62 C -ATOM 8372 OE1 GLU D 192 40.859 3.442 -22.411 1.00 16.23 O -ATOM 8373 OE2 GLU D 192 39.880 2.891 -20.546 1.00 18.77 O -ATOM 8374 C GLU D 192 40.937 -0.734 -25.276 1.00 8.29 C -ATOM 8375 O GLU D 192 42.160 -0.692 -25.128 1.00 7.86 O -ATOM 8376 N ASN D 193 40.347 -0.986 -26.435 1.00 7.20 N -ATOM 8377 CA ASN D 193 41.166 -1.300 -27.627 1.00 7.49 C -ATOM 8378 CB ASN D 193 40.282 -1.616 -28.813 1.00 6.84 C -ATOM 8379 CG ASN D 193 39.532 -2.928 -28.669 1.00 6.53 C -ATOM 8380 OD1 ASN D 193 39.931 -3.767 -27.846 1.00 7.39 O -ATOM 8381 ND2 ASN D 193 38.475 -3.142 -29.443 1.00 6.91 N -ATOM 8382 C ASN D 193 42.131 -0.153 -27.963 1.00 6.99 C -ATOM 8383 O ASN D 193 43.126 -0.400 -28.600 1.00 7.11 O -ATOM 8384 N GLN D 194 41.819 1.073 -27.516 1.00 8.28 N -ATOM 8385 CA GLN D 194 42.699 2.226 -27.758 1.00 8.79 C -ATOM 8386 CB GLN D 194 42.162 3.463 -27.036 1.00 10.12 C -ATOM 8387 CG GLN D 194 40.951 4.112 -27.659 1.00 11.35 C -ATOM 8388 CD GLN D 194 39.605 3.489 -27.380 1.00 12.07 C -ATOM 8389 OE1 GLN D 194 39.431 2.385 -26.827 1.00 12.33 O -ATOM 8390 NE2 GLN D 194 38.585 4.212 -27.812 1.00 13.19 N -ATOM 8391 C GLN D 194 44.118 1.915 -27.267 1.00 8.16 C -ATOM 8392 O GLN D 194 45.083 2.316 -27.883 1.00 8.80 O -ATOM 8393 N LYS D 195 44.250 1.235 -26.132 1.00 8.29 N -ATOM 8394 CA LYS D 195 45.579 0.956 -25.568 1.00 8.69 C -ATOM 8395 CB LYS D 195 45.466 0.373 -24.162 1.00 9.95 C -ATOM 8396 CG LYS D 195 44.613 1.094 -23.127 1.00 16.10 C -ATOM 8397 CD LYS D 195 44.354 2.576 -23.238 1.00 12.62 C -ATOM 8398 CE LYS D 195 44.350 3.347 -21.929 1.00 13.95 C -ATOM 8399 NZ LYS D 195 43.493 4.542 -22.024 1.00 15.66 N -ATOM 8400 C LYS D 195 46.348 -0.038 -26.450 1.00 7.77 C -ATOM 8401 O LYS D 195 47.557 0.033 -26.499 1.00 7.56 O -ATOM 8402 N LEU D 196 45.630 -0.954 -27.108 1.00 7.28 N -ATOM 8403 CA LEU D 196 46.277 -1.892 -28.042 1.00 7.17 C -ATOM 8404 CB LEU D 196 45.294 -3.017 -28.363 1.00 7.48 C -ATOM 8405 CG LEU D 196 45.253 -4.191 -27.372 1.00 7.90 C -ATOM 8406 CD1 LEU D 196 45.096 -3.805 -25.908 1.00 9.30 C -ATOM 8407 CD2 LEU D 196 44.190 -5.204 -27.775 1.00 7.82 C -ATOM 8408 C LEU D 196 46.684 -1.141 -29.314 1.00 6.81 C -ATOM 8409 O LEU D 196 47.737 -1.393 -29.862 1.00 7.18 O -ATOM 8410 N SER D 197 45.837 -0.209 -29.750 1.00 6.84 N -ATOM 8411 CA SER D 197 46.135 0.631 -30.942 1.00 7.81 C -ATOM 8412 CB SER D 197 44.954 1.469 -31.272 1.00 8.03 C -ATOM 8413 OG SER D 197 45.142 2.013 -32.568 1.00 8.84 O -ATOM 8414 C SER D 197 47.396 1.473 -30.699 1.00 8.92 C -ATOM 8415 O SER D 197 48.263 1.536 -31.567 1.00 9.27 O -ATOM 8416 N GLN D 198 47.493 2.004 -29.485 1.00 8.88 N -ATOM 8417 CA GLN D 198 48.677 2.796 -29.081 1.00 9.29 C -ATOM 8418 CB GLN D 198 48.439 3.401 -27.703 1.00 9.12 C -ATOM 8419 CG GLN D 198 47.395 4.505 -27.730 1.00 10.50 C -ATOM 8420 CD GLN D 198 46.791 4.763 -26.376 1.00 12.21 C -ATOM 8421 OE1 GLN D 198 47.322 4.346 -25.355 1.00 15.07 O -ATOM 8422 NE2 GLN D 198 45.707 5.506 -26.354 1.00 14.02 N -ATOM 8423 C GLN D 198 49.920 1.903 -29.084 1.00 8.53 C -ATOM 8424 O GLN D 198 50.980 2.331 -29.550 1.00 8.33 O -ATOM 8425 N TYR D 199 49.823 0.682 -28.558 1.00 8.43 N -ATOM 8426 CA TYR D 199 50.978 -0.238 -28.566 1.00 8.39 C -ATOM 8427 CB TYR D 199 50.596 -1.509 -27.818 1.00 8.16 C -ATOM 8428 CG TYR D 199 51.667 -2.551 -27.909 1.00 8.07 C -ATOM 8429 CD1 TYR D 199 52.749 -2.551 -27.048 1.00 7.89 C -ATOM 8430 CE1 TYR D 199 53.733 -3.512 -27.153 1.00 7.67 C -ATOM 8431 CZ TYR D 199 53.649 -4.469 -28.169 1.00 8.09 C -ATOM 8432 OH TYR D 199 54.631 -5.385 -28.381 1.00 8.15 O -ATOM 8433 CE2 TYR D 199 52.560 -4.470 -29.033 1.00 8.25 C -ATOM 8434 CD2 TYR D 199 51.592 -3.514 -28.895 1.00 8.58 C -ATOM 8435 C TYR D 199 51.422 -0.510 -30.002 1.00 7.93 C -ATOM 8436 O TYR D 199 52.581 -0.453 -30.336 1.00 8.85 O -ATOM 8437 N ALA D 200 50.487 -0.874 -30.869 1.00 7.61 N -ATOM 8438 CA ALA D 200 50.804 -1.291 -32.251 1.00 8.54 C -ATOM 8439 CB ALA D 200 49.616 -1.902 -32.939 1.00 8.44 C -ATOM 8440 C ALA D 200 51.336 -0.095 -33.026 1.00 8.98 C -ATOM 8441 O ALA D 200 52.252 -0.263 -33.833 1.00 10.08 O -ATOM 8442 N GLU D 201 50.804 1.082 -32.771 1.00 9.27 N -ATOM 8443 CA GLU D 201 51.321 2.285 -33.489 1.00 11.61 C -ATOM 8444 CB GLU D 201 50.400 3.473 -33.265 1.00 13.18 C -ATOM 8445 CG GLU D 201 49.148 3.314 -34.090 1.00 18.38 C -ATOM 8446 CD GLU D 201 48.455 4.561 -34.576 1.00 20.14 C -ATOM 8447 OE1 GLU D 201 48.587 5.627 -33.887 1.00 22.20 O -ATOM 8448 OE2 GLU D 201 47.779 4.428 -35.650 1.00 19.96 O -ATOM 8449 C GLU D 201 52.729 2.617 -33.028 1.00 10.97 C -ATOM 8450 O GLU D 201 53.537 3.022 -33.867 1.00 12.81 O -ATOM 8451 N ALA D 202 53.087 2.302 -31.792 1.00 10.65 N -ATOM 8452 CA ALA D 202 54.438 2.590 -31.278 1.00 10.37 C -ATOM 8453 CB ALA D 202 54.473 2.594 -29.775 1.00 11.00 C -ATOM 8454 C ALA D 202 55.400 1.537 -31.809 1.00 10.78 C -ATOM 8455 O ALA D 202 56.540 1.893 -32.174 1.00 12.51 O -ATOM 8456 N ARG D 203 55.036 0.256 -31.856 1.00 10.16 N -ATOM 8457 CA ARG D 203 56.012 -0.848 -32.060 1.00 10.49 C -ATOM 8458 CB ARG D 203 55.743 -2.003 -31.095 1.00 9.85 C -ATOM 8459 C ARG D 203 56.040 -1.354 -33.505 1.00 9.99 C -ATOM 8460 O ARG D 203 56.992 -1.995 -33.892 1.00 11.63 O -ATOM 8461 N THR D 204 54.928 -1.186 -34.208 1.00 10.70 N -ATOM 8462 CA THR D 204 54.710 -1.670 -35.588 1.00 12.00 C -ATOM 8463 CB THR D 204 55.288 -0.692 -36.622 1.00 14.68 C -ATOM 8464 OG1 THR D 204 56.703 -0.619 -36.533 1.00 16.22 O -ATOM 8465 CG2 THR D 204 54.757 0.718 -36.462 1.00 16.39 C -ATOM 8466 C THR D 204 55.249 -3.104 -35.697 1.00 10.89 C -ATOM 8467 O THR D 204 54.926 -3.953 -34.874 1.00 10.77 O -ATOM 8468 N SER D 205 56.075 -3.396 -36.707 1.00 11.75 N -ATOM 8469 CA SER D 205 56.551 -4.767 -36.994 1.00 12.77 C -ATOM 8470 CB SER D 205 57.104 -4.859 -38.390 1.00 13.56 C -ATOM 8471 OG SER D 205 58.123 -3.901 -38.558 1.00 20.15 O -ATOM 8472 C SER D 205 57.577 -5.254 -35.963 1.00 10.84 C -ATOM 8473 O SER D 205 57.890 -6.440 -35.984 1.00 12.51 O -ATOM 8474 N LYS D 206 58.106 -4.376 -35.124 1.00 11.61 N -ATOM 8475 CA LYS D 206 59.061 -4.774 -34.071 1.00 12.75 C -ATOM 8476 CB LYS D 206 59.879 -3.555 -33.668 1.00 14.79 C -ATOM 8477 CG LYS D 206 60.783 -3.027 -34.775 1.00 17.19 C -ATOM 8478 CD LYS D 206 61.590 -1.830 -34.330 1.00 21.53 C -ATOM 8479 CE LYS D 206 60.737 -0.662 -33.884 1.00 23.79 C -ATOM 8480 NZ LYS D 206 61.530 0.436 -33.275 1.00 27.14 N -ATOM 8481 C LYS D 206 58.352 -5.339 -32.840 1.00 11.43 C -ATOM 8482 O LYS D 206 59.057 -5.866 -31.947 1.00 11.94 O -ATOM 8483 N ALA D 207 57.031 -5.267 -32.755 1.00 10.65 N -ATOM 8484 CA ALA D 207 56.279 -5.650 -31.548 1.00 9.52 C -ATOM 8485 CB ALA D 207 54.800 -5.704 -31.828 1.00 9.26 C -ATOM 8486 C ALA D 207 56.711 -7.040 -31.083 1.00 8.65 C -ATOM 8487 O ALA D 207 56.727 -7.984 -31.874 1.00 10.60 O -ATOM 8488 N LYS D 208 56.924 -7.176 -29.786 1.00 9.10 N -ATOM 8489 CA LYS D 208 57.199 -8.495 -29.169 1.00 9.08 C -ATOM 8490 CB LYS D 208 58.023 -8.363 -27.882 1.00 9.48 C -ATOM 8491 C LYS D 208 55.889 -9.197 -28.786 1.00 8.45 C -ATOM 8492 O LYS D 208 55.914 -10.391 -28.465 1.00 9.75 O -ATOM 8493 N VAL D 209 54.767 -8.473 -28.795 1.00 7.58 N -ATOM 8494 CA VAL D 209 53.489 -8.951 -28.210 1.00 7.34 C -ATOM 8495 CB VAL D 209 53.127 -8.146 -26.941 1.00 8.19 C -ATOM 8496 CG1 VAL D 209 51.873 -8.637 -26.257 1.00 7.92 C -ATOM 8497 CG2 VAL D 209 54.302 -8.108 -25.971 1.00 7.92 C -ATOM 8498 C VAL D 209 52.412 -8.866 -29.292 1.00 7.40 C -ATOM 8499 O VAL D 209 52.326 -7.856 -30.012 1.00 7.97 O -ATOM 8500 N PHE D 210 51.579 -9.895 -29.341 1.00 6.42 N -ATOM 8501 CA PHE D 210 50.362 -9.923 -30.170 1.00 6.70 C -ATOM 8502 CB PHE D 210 49.812 -11.347 -30.291 1.00 6.68 C -ATOM 8503 CG PHE D 210 50.653 -12.251 -31.152 1.00 6.49 C -ATOM 8504 CD2 PHE D 210 50.332 -12.422 -32.491 1.00 7.40 C -ATOM 8505 CE2 PHE D 210 51.124 -13.222 -33.299 1.00 8.66 C -ATOM 8506 CZ PHE D 210 52.192 -13.901 -32.753 1.00 8.39 C -ATOM 8507 CD1 PHE D 210 51.709 -12.968 -30.602 1.00 7.32 C -ATOM 8508 CE1 PHE D 210 52.465 -13.779 -31.417 1.00 7.60 C -ATOM 8509 C PHE D 210 49.280 -9.074 -29.511 1.00 6.14 C -ATOM 8510 O PHE D 210 48.937 -9.319 -28.354 1.00 8.54 O -ATOM 8511 N ILE D 211 48.618 -8.196 -30.263 1.00 5.87 N -ATOM 8512 CA ILE D 211 47.438 -7.485 -29.704 1.00 6.35 C -ATOM 8513 CB ILE D 211 47.306 -6.049 -30.217 1.00 6.76 C -ATOM 8514 CG1 ILE D 211 47.166 -5.949 -31.721 1.00 7.32 C -ATOM 8515 CG2 ILE D 211 48.492 -5.197 -29.777 1.00 6.51 C -ATOM 8516 CD1 ILE D 211 46.643 -4.617 -32.220 1.00 8.33 C -ATOM 8517 C ILE D 211 46.182 -8.321 -29.962 1.00 5.96 C -ATOM 8518 O ILE D 211 46.007 -8.867 -31.013 1.00 7.22 O -ATOM 8519 N SER D 212 45.295 -8.366 -28.974 1.00 5.69 N -ATOM 8520 CA SER D 212 44.056 -9.143 -29.097 1.00 6.20 C -ATOM 8521 CB SER D 212 44.164 -10.408 -28.266 1.00 6.12 C -ATOM 8522 OG SER D 212 42.982 -11.165 -28.497 1.00 6.55 O -ATOM 8523 C SER D 212 42.883 -8.280 -28.654 1.00 5.71 C -ATOM 8524 O SER D 212 42.584 -8.220 -27.463 1.00 6.14 O -ATOM 8525 N PRO D 213 42.234 -7.577 -29.585 1.00 5.77 N -ATOM 8526 CA PRO D 213 41.223 -6.610 -29.187 1.00 5.74 C -ATOM 8527 CB PRO D 213 40.951 -5.794 -30.469 1.00 6.64 C -ATOM 8528 CG PRO D 213 41.345 -6.733 -31.582 1.00 6.88 C -ATOM 8529 CD PRO D 213 42.527 -7.499 -31.010 1.00 6.20 C -ATOM 8530 C PRO D 213 39.923 -7.260 -28.700 1.00 5.61 C -ATOM 8531 O PRO D 213 39.560 -8.353 -29.118 1.00 6.16 O -ATOM 8532 N VAL D 214 39.221 -6.509 -27.851 1.00 6.20 N -ATOM 8533 CA VAL D 214 37.849 -6.816 -27.455 1.00 7.07 C -ATOM 8534 CB VAL D 214 37.312 -5.755 -26.483 1.00 7.89 C -ATOM 8535 CG1 VAL D 214 35.846 -6.043 -26.166 1.00 9.16 C -ATOM 8536 CG2 VAL D 214 38.166 -5.721 -25.217 1.00 8.47 C -ATOM 8537 C VAL D 214 37.025 -6.893 -28.749 1.00 7.00 C -ATOM 8538 O VAL D 214 37.052 -5.934 -29.567 1.00 7.72 O -ATOM 8539 N THR D 215 36.266 -7.960 -28.902 1.00 6.53 N -ATOM 8540 CA THR D 215 35.592 -8.287 -30.173 1.00 7.03 C -ATOM 8541 CB THR D 215 36.255 -9.539 -30.711 1.00 6.73 C -ATOM 8542 OG1 THR D 215 37.644 -9.259 -30.964 1.00 7.06 O -ATOM 8543 CG2 THR D 215 35.645 -10.041 -32.000 1.00 7.46 C -ATOM 8544 C THR D 215 34.099 -8.429 -29.961 1.00 7.50 C -ATOM 8545 O THR D 215 33.681 -9.311 -29.175 1.00 8.59 O -ATOM 8546 N ASN D 216 33.341 -7.640 -30.690 1.00 8.27 N -ATOM 8547 CA ASN D 216 31.865 -7.784 -30.633 1.00 9.52 C -ATOM 8548 CB ASN D 216 31.208 -6.949 -29.533 1.00 10.48 C -ATOM 8549 CG ASN D 216 31.380 -5.460 -29.659 1.00 12.90 C -ATOM 8550 OD1 ASN D 216 31.651 -4.891 -30.719 1.00 13.35 O -ATOM 8551 ND2 ASN D 216 31.292 -4.805 -28.517 1.00 20.35 N -ATOM 8552 C ASN D 216 31.228 -7.510 -31.989 1.00 8.03 C -ATOM 8553 O ASN D 216 29.999 -7.373 -32.048 1.00 10.24 O -ATOM 8554 N GLY D 217 31.984 -7.499 -33.076 1.00 8.44 N -ATOM 8555 CA GLY D 217 31.454 -7.364 -34.439 1.00 7.79 C -ATOM 8556 C GLY D 217 32.516 -7.755 -35.428 1.00 8.11 C -ATOM 8557 O GLY D 217 33.731 -7.922 -35.064 1.00 7.87 O -ATOM 8558 N GLN D 218 32.114 -7.933 -36.676 1.00 8.13 N -ATOM 8559 CA GLN D 218 33.030 -8.446 -37.724 1.00 6.70 C -ATOM 8560 CB GLN D 218 32.253 -8.633 -39.033 1.00 7.23 C -ATOM 8561 CG GLN D 218 33.121 -9.240 -40.121 1.00 7.86 C -ATOM 8562 CD GLN D 218 33.491 -10.688 -39.866 1.00 8.12 C -ATOM 8563 OE1 GLN D 218 32.659 -11.518 -39.468 1.00 9.22 O -ATOM 8564 NE2 GLN D 218 34.747 -11.022 -40.161 1.00 9.15 N -ATOM 8565 C GLN D 218 34.207 -7.486 -37.886 1.00 6.53 C -ATOM 8566 O GLN D 218 35.274 -7.934 -38.232 1.00 6.79 O -ATOM 8567 N ASN D 219 33.937 -6.201 -37.793 1.00 6.86 N -ATOM 8568 CA ASN D 219 35.024 -5.199 -37.978 1.00 6.74 C -ATOM 8569 CB ASN D 219 34.549 -3.765 -37.818 1.00 7.18 C -ATOM 8570 CG ASN D 219 34.024 -3.501 -36.442 1.00 7.69 C -ATOM 8571 OD1 ASN D 219 33.121 -4.198 -36.016 1.00 8.40 O -ATOM 8572 ND2 ASN D 219 34.577 -2.508 -35.789 1.00 7.27 N -ATOM 8573 C ASN D 219 36.185 -5.498 -37.033 1.00 6.11 C -ATOM 8574 O ASN D 219 37.311 -5.157 -37.348 1.00 6.21 O -ATOM 8575 N ASP D 220 35.901 -6.022 -35.836 1.00 6.32 N -ATOM 8576 CA ASP D 220 36.954 -6.247 -34.817 1.00 6.45 C -ATOM 8577 CB ASP D 220 36.300 -6.479 -33.473 1.00 6.82 C -ATOM 8578 CG ASP D 220 35.492 -5.315 -32.975 1.00 7.21 C -ATOM 8579 OD1 ASP D 220 35.882 -4.180 -33.238 1.00 7.66 O -ATOM 8580 OD2 ASP D 220 34.453 -5.598 -32.251 1.00 7.59 O -ATOM 8581 C ASP D 220 37.831 -7.409 -35.238 1.00 7.04 C -ATOM 8582 O ASP D 220 38.947 -7.565 -34.699 1.00 7.46 O -ATOM 8583 N ILE D 221 37.335 -8.236 -36.140 1.00 6.60 N -ATOM 8584 CA ILE D 221 38.114 -9.349 -36.761 1.00 7.46 C -ATOM 8585 CB ILE D 221 37.209 -10.537 -37.111 1.00 8.37 C -ATOM 8586 CG1 ILE D 221 36.453 -10.952 -35.850 1.00 10.96 C -ATOM 8587 CG2 ILE D 221 38.038 -11.632 -37.782 1.00 8.55 C -ATOM 8588 CD1 ILE D 221 35.705 -12.191 -35.896 1.00 14.04 C -ATOM 8589 C ILE D 221 38.827 -8.876 -38.021 1.00 6.98 C -ATOM 8590 O ILE D 221 40.034 -9.070 -38.137 1.00 8.03 O -ATOM 8591 N SER D 222 38.123 -8.208 -38.921 1.00 6.15 N -ATOM 8592 CA SER D 222 38.606 -8.079 -40.321 1.00 6.91 C -ATOM 8593 CB SER D 222 37.839 -9.021 -41.211 1.00 7.35 C -ATOM 8594 OG SER D 222 36.432 -8.825 -41.095 1.00 7.41 O -ATOM 8595 C SER D 222 38.551 -6.655 -40.850 1.00 7.03 C -ATOM 8596 O SER D 222 38.789 -6.500 -42.061 1.00 7.99 O -ATOM 8597 N GLY D 223 38.132 -5.666 -40.069 1.00 6.53 N -ATOM 8598 CA GLY D 223 38.089 -4.311 -40.619 1.00 6.52 C -ATOM 8599 C GLY D 223 38.765 -3.341 -39.679 1.00 6.51 C -ATOM 8600 O GLY D 223 39.739 -3.712 -39.008 1.00 6.60 O -ATOM 8601 N LYS D 224 38.275 -2.112 -39.661 1.00 6.18 N -ATOM 8602 CA LYS D 224 38.766 -1.111 -38.703 1.00 6.08 C -ATOM 8603 CB LYS D 224 38.371 0.324 -39.065 1.00 6.68 C -ATOM 8604 CG LYS D 224 38.856 1.342 -38.035 1.00 7.50 C -ATOM 8605 CD LYS D 224 38.120 2.659 -38.061 1.00 9.28 C -ATOM 8606 CE LYS D 224 38.447 3.485 -36.822 1.00 10.11 C -ATOM 8607 NZ LYS D 224 38.014 2.813 -35.572 1.00 10.80 N -ATOM 8608 C LYS D 224 38.187 -1.513 -37.334 1.00 6.64 C -ATOM 8609 O LYS D 224 36.971 -1.465 -37.125 1.00 6.73 O -ATOM 8610 N VAL D 225 39.073 -1.980 -36.460 1.00 5.98 N -ATOM 8611 CA VAL D 225 38.640 -2.507 -35.148 1.00 6.11 C -ATOM 8612 CB VAL D 225 39.833 -3.181 -34.468 1.00 6.25 C -ATOM 8613 CG1 VAL D 225 39.521 -3.602 -33.052 1.00 6.10 C -ATOM 8614 CG2 VAL D 225 40.296 -4.364 -35.313 1.00 6.13 C -ATOM 8615 C VAL D 225 38.111 -1.342 -34.312 1.00 6.20 C -ATOM 8616 O VAL D 225 38.682 -0.257 -34.331 1.00 6.78 O -ATOM 8617 N SER D 226 37.037 -1.573 -33.563 1.00 6.24 N -ATOM 8618 CA SER D 226 36.466 -0.550 -32.670 1.00 7.38 C -ATOM 8619 CB SER D 226 35.355 -1.149 -31.848 1.00 8.07 C -ATOM 8620 OG SER D 226 34.377 -1.690 -32.696 1.00 9.87 O -ATOM 8621 C SER D 226 37.551 -0.027 -31.740 1.00 7.25 C -ATOM 8622 O SER D 226 38.299 -0.808 -31.139 1.00 7.75 O -ATOM 8623 N GLY D 227 37.714 1.290 -31.698 1.00 7.73 N -ATOM 8624 CA GLY D 227 38.686 1.914 -30.793 1.00 7.86 C -ATOM 8625 C GLY D 227 40.097 1.945 -31.337 1.00 7.84 C -ATOM 8626 O GLY D 227 41.025 2.399 -30.577 1.00 9.26 O -ATOM 8627 N MET D 228 40.347 1.442 -32.543 1.00 7.48 N -ATOM 8628 CA MET D 228 41.710 1.413 -33.087 1.00 7.46 C -ATOM 8629 CB MET D 228 42.226 -0.018 -33.225 1.00 7.85 C -ATOM 8630 CG MET D 228 41.926 -0.851 -32.018 1.00 7.67 C -ATOM 8631 SD MET D 228 41.896 -2.566 -32.442 1.00 21.21 S -ATOM 8632 CE MET D 228 43.412 -2.102 -31.741 1.00 2.85 C -ATOM 8633 C MET D 228 41.766 2.109 -34.433 1.00 7.28 C -ATOM 8634 O MET D 228 40.761 2.216 -35.134 1.00 7.56 O -ATOM 8635 N SER D 229 42.976 2.469 -34.805 1.00 6.86 N -ATOM 8636 CA SER D 229 43.272 2.977 -36.150 1.00 7.03 C -ATOM 8637 CB SER D 229 44.635 3.617 -36.262 1.00 7.40 C -ATOM 8638 OG SER D 229 45.615 2.665 -35.953 1.00 8.12 O -ATOM 8639 C SER D 229 43.198 1.813 -37.125 1.00 7.36 C -ATOM 8640 O SER D 229 43.375 0.609 -36.754 1.00 7.26 O -ATOM 8641 N SER D 230 42.985 2.106 -38.401 1.00 7.61 N -ATOM 8642 CA SER D 230 43.089 1.104 -39.486 1.00 8.63 C -ATOM 8643 CB SER D 230 42.735 1.746 -40.799 1.00 8.97 C -ATOM 8644 OG SER D 230 42.847 0.804 -41.816 1.00 13.69 O -ATOM 8645 C SER D 230 44.491 0.503 -39.473 1.00 8.10 C -ATOM 8646 O SER D 230 44.638 -0.695 -39.651 1.00 7.38 O -ATOM 8647 N GLN D 231 45.509 1.332 -39.274 1.00 8.65 N -ATOM 8648 CA GLN D 231 46.894 0.820 -39.329 1.00 9.05 C -ATOM 8649 CB GLN D 231 47.886 1.957 -39.175 1.00 10.48 C -ATOM 8650 CG GLN D 231 49.335 1.490 -39.166 1.00 14.30 C -ATOM 8651 CD GLN D 231 50.279 2.634 -38.901 1.00 16.20 C -ATOM 8652 OE1 GLN D 231 50.282 3.633 -39.642 1.00 23.69 O -ATOM 8653 NE2 GLN D 231 51.039 2.507 -37.810 1.00 17.54 N -ATOM 8654 C GLN D 231 47.076 -0.230 -38.214 1.00 7.51 C -ATOM 8655 O GLN D 231 47.642 -1.319 -38.457 1.00 8.65 O -ATOM 8656 N SER D 232 46.663 0.080 -36.997 1.00 7.52 N -ATOM 8657 CA SER D 232 46.816 -0.907 -35.901 1.00 7.21 C -ATOM 8658 CB SER D 232 46.507 -0.283 -34.579 1.00 7.92 C -ATOM 8659 OG SER D 232 47.486 0.703 -34.282 1.00 8.85 O -ATOM 8660 C SER D 232 45.946 -2.139 -36.153 1.00 7.04 C -ATOM 8661 O SER D 232 46.370 -3.250 -35.765 1.00 6.69 O -ATOM 8662 N SER D 233 44.790 -1.981 -36.768 1.00 6.67 N -ATOM 8663 CA SER D 233 43.881 -3.106 -37.041 1.00 6.39 C -ATOM 8664 CB SER D 233 42.652 -2.615 -37.731 1.00 6.59 C -ATOM 8665 OG SER D 233 41.880 -1.778 -36.887 1.00 6.80 O -ATOM 8666 C SER D 233 44.602 -4.153 -37.891 1.00 6.20 C -ATOM 8667 O SER D 233 44.342 -5.321 -37.753 1.00 5.91 O -ATOM 8668 N GLY D 234 45.471 -3.718 -38.794 1.00 6.21 N -ATOM 8669 CA GLY D 234 46.169 -4.625 -39.721 1.00 6.31 C -ATOM 8670 C GLY D 234 47.071 -5.617 -38.999 1.00 5.78 C -ATOM 8671 O GLY D 234 47.405 -6.662 -39.584 1.00 7.19 O -ATOM 8672 N TYR D 235 47.480 -5.343 -37.750 1.00 6.53 N -ATOM 8673 CA TYR D 235 48.348 -6.265 -36.980 1.00 6.96 C -ATOM 8674 CB TYR D 235 49.206 -5.456 -36.000 1.00 7.72 C -ATOM 8675 CG TYR D 235 50.234 -4.553 -36.637 1.00 7.91 C -ATOM 8676 CD1 TYR D 235 51.493 -5.010 -36.962 1.00 7.70 C -ATOM 8677 CE1 TYR D 235 52.417 -4.218 -37.613 1.00 9.30 C -ATOM 8678 CZ TYR D 235 52.106 -2.920 -37.950 1.00 9.51 C -ATOM 8679 OH TYR D 235 53.073 -2.208 -38.626 1.00 11.29 O -ATOM 8680 CE2 TYR D 235 50.844 -2.426 -37.616 1.00 8.83 C -ATOM 8681 CD2 TYR D 235 49.902 -3.256 -37.004 1.00 8.46 C -ATOM 8682 C TYR D 235 47.541 -7.309 -36.239 1.00 6.73 C -ATOM 8683 O TYR D 235 48.171 -8.136 -35.608 1.00 8.34 O -ATOM 8684 N VAL D 236 46.217 -7.288 -36.269 1.00 6.15 N -ATOM 8685 CA VAL D 236 45.419 -8.173 -35.406 1.00 5.96 C -ATOM 8686 CB VAL D 236 44.006 -7.617 -35.315 1.00 5.92 C -ATOM 8687 CG1 VAL D 236 43.063 -8.599 -34.652 1.00 6.75 C -ATOM 8688 CG2 VAL D 236 44.032 -6.303 -34.530 1.00 6.36 C -ATOM 8689 C VAL D 236 45.452 -9.593 -35.934 1.00 6.27 C -ATOM 8690 O VAL D 236 44.933 -9.876 -36.996 1.00 7.30 O -ATOM 8691 N ALA D 237 45.967 -10.476 -35.086 1.00 5.49 N -ATOM 8692 CA ALA D 237 46.050 -11.926 -35.356 1.00 5.93 C -ATOM 8693 CB ALA D 237 47.496 -12.360 -35.477 1.00 5.72 C -ATOM 8694 C ALA D 237 45.367 -12.750 -34.261 1.00 5.71 C -ATOM 8695 O ALA D 237 45.454 -13.988 -34.255 1.00 5.87 O -ATOM 8696 N MET D 238 44.705 -12.064 -33.329 1.00 5.62 N -ATOM 8697 CA MET D 238 44.067 -12.676 -32.152 1.00 5.55 C -ATOM 8698 CB MET D 238 45.046 -12.695 -30.979 1.00 5.97 C -ATOM 8699 CG MET D 238 46.286 -13.598 -31.188 1.00 6.01 C -ATOM 8700 SD MET D 238 46.973 -14.066 -29.615 1.00 7.40 S -ATOM 8701 CE MET D 238 48.338 -15.133 -30.084 1.00 7.25 C -ATOM 8702 C MET D 238 42.866 -11.842 -31.761 1.00 5.73 C -ATOM 8703 O MET D 238 42.857 -10.615 -32.056 1.00 6.48 O -ATOM 8704 N ASN D 239 41.891 -12.466 -31.145 1.00 5.27 N -ATOM 8705 CA ASN D 239 40.658 -11.755 -30.753 1.00 5.95 C -ATOM 8706 CB ASN D 239 39.558 -11.947 -31.794 1.00 6.07 C -ATOM 8707 CG ASN D 239 39.839 -11.150 -33.046 1.00 6.72 C -ATOM 8708 OD1 ASN D 239 39.487 -9.960 -33.124 1.00 7.73 O -ATOM 8709 ND2 ASN D 239 40.472 -11.782 -34.012 1.00 5.60 N -ATOM 8710 C ASN D 239 40.252 -12.238 -29.379 1.00 5.95 C -ATOM 8711 O ASN D 239 40.353 -13.395 -29.065 1.00 6.86 O -ATOM 8712 N ASN D 240 39.762 -11.310 -28.583 1.00 6.84 N -ATOM 8713 CA ASN D 240 39.358 -11.497 -27.181 1.00 8.40 C -ATOM 8714 CB ASN D 240 40.133 -10.516 -26.308 1.00 11.56 C -ATOM 8715 CG ASN D 240 40.235 -10.994 -24.881 1.00 17.38 C -ATOM 8716 OD1 ASN D 240 40.519 -12.184 -24.623 1.00 19.54 O -ATOM 8717 ND2 ASN D 240 40.038 -10.073 -23.952 1.00 22.83 N -ATOM 8718 C ASN D 240 37.844 -11.309 -27.042 1.00 7.43 C -ATOM 8719 O ASN D 240 37.342 -10.233 -27.343 1.00 7.75 O -ATOM 8720 N MET D 241 37.174 -12.310 -26.502 1.00 7.79 N -ATOM 8721 CA MET D 241 35.710 -12.265 -26.343 1.00 8.56 C -ATOM 8722 CB MET D 241 35.024 -13.196 -27.330 1.00 10.02 C -ATOM 8723 CG MET D 241 35.090 -12.532 -28.661 1.00 12.66 C -ATOM 8724 SD MET D 241 34.159 -13.143 -29.946 1.00 27.35 S -ATOM 8725 CE MET D 241 35.343 -14.445 -29.899 1.00 6.65 C -ATOM 8726 C MET D 241 35.258 -12.655 -24.953 1.00 7.72 C -ATOM 8727 O MET D 241 35.687 -13.680 -24.451 1.00 8.81 O -ATOM 8728 N GLY D 242 34.369 -11.855 -24.392 1.00 8.81 N -ATOM 8729 CA GLY D 242 33.598 -12.260 -23.212 1.00 9.29 C -ATOM 8730 C GLY D 242 32.539 -13.269 -23.610 1.00 10.87 C -ATOM 8731 O GLY D 242 32.267 -13.539 -24.775 1.00 10.71 O -ATOM 8732 N LYS D 243 31.868 -13.814 -22.605 1.00 12.02 N -ATOM 8733 CA LYS D 243 30.872 -14.886 -22.788 1.00 12.33 C -ATOM 8734 CB LYS D 243 30.228 -15.170 -21.418 1.00 14.07 C -ATOM 8735 CG LYS D 243 29.038 -16.125 -21.422 1.00 16.07 C -ATOM 8736 CD LYS D 243 28.517 -16.444 -20.011 1.00 16.19 C -ATOM 8737 CE LYS D 243 27.864 -15.308 -19.265 1.00 19.20 C -ATOM 8738 NZ LYS D 243 27.293 -15.822 -18.002 1.00 21.16 N -ATOM 8739 C LYS D 243 29.826 -14.467 -23.821 1.00 11.53 C -ATOM 8740 O LYS D 243 29.462 -15.267 -24.626 1.00 12.55 O -ATOM 8741 N GLY D 244 29.313 -13.257 -23.701 1.00 11.67 N -ATOM 8742 CA GLY D 244 28.208 -12.795 -24.545 1.00 12.96 C -ATOM 8743 C GLY D 244 28.607 -12.725 -26.010 1.00 12.69 C -ATOM 8744 O GLY D 244 27.690 -12.691 -26.858 1.00 13.68 O -ATOM 8745 N ASP D 245 29.909 -12.651 -26.295 1.00 11.60 N -ATOM 8746 CA ASP D 245 30.492 -12.403 -27.645 1.00 11.80 C -ATOM 8747 CB ASP D 245 31.441 -11.212 -27.535 1.00 13.62 C -ATOM 8748 CG ASP D 245 30.713 -9.908 -27.281 1.00 14.51 C -ATOM 8749 OD1 ASP D 245 29.663 -9.717 -27.907 1.00 14.40 O -ATOM 8750 OD2 ASP D 245 31.168 -9.122 -26.421 1.00 15.65 O -ATOM 8751 C ASP D 245 31.153 -13.655 -28.207 1.00 11.58 C -ATOM 8752 O ASP D 245 31.777 -13.556 -29.266 1.00 11.00 O -ATOM 8753 N LYS D 246 31.003 -14.823 -27.595 1.00 10.63 N -ATOM 8754 CA LYS D 246 31.809 -15.991 -28.009 1.00 10.54 C -ATOM 8755 CB LYS D 246 31.623 -17.086 -26.965 1.00 10.88 C -ATOM 8756 CG LYS D 246 30.269 -17.758 -26.892 1.00 10.97 C -ATOM 8757 CD LYS D 246 30.300 -18.913 -25.918 1.00 12.01 C -ATOM 8758 CE LYS D 246 29.019 -19.712 -25.901 1.00 12.90 C -ATOM 8759 NZ LYS D 246 29.197 -20.955 -25.094 1.00 13.02 N -ATOM 8760 C LYS D 246 31.427 -16.478 -29.392 1.00 10.08 C -ATOM 8761 O LYS D 246 32.188 -17.221 -29.951 1.00 10.40 O -ATOM 8762 N SER D 247 30.227 -16.143 -29.867 1.00 11.42 N -ATOM 8763 CA SER D 247 29.816 -16.476 -31.265 1.00 11.58 C -ATOM 8764 CB SER D 247 28.421 -15.917 -31.602 1.00 12.37 C -ATOM 8765 OG SER D 247 28.378 -14.513 -31.457 1.00 15.25 O -ATOM 8766 C SER D 247 30.901 -15.999 -32.247 1.00 11.31 C -ATOM 8767 O SER D 247 31.115 -16.653 -33.264 1.00 14.41 O -ATOM 8768 N TRP D 248 31.612 -14.912 -31.949 1.00 9.54 N -ATOM 8769 CA TRP D 248 32.645 -14.376 -32.866 1.00 8.92 C -ATOM 8770 CB TRP D 248 33.021 -12.956 -32.436 1.00 8.93 C -ATOM 8771 CG TRP D 248 31.904 -12.019 -32.684 1.00 9.37 C -ATOM 8772 CD1 TRP D 248 31.030 -11.505 -31.786 1.00 11.42 C -ATOM 8773 NE1 TRP D 248 30.089 -10.767 -32.443 1.00 11.69 N -ATOM 8774 CE2 TRP D 248 30.297 -10.845 -33.801 1.00 10.70 C -ATOM 8775 CD2 TRP D 248 31.445 -11.641 -33.991 1.00 9.11 C -ATOM 8776 CE3 TRP D 248 31.921 -11.855 -35.300 1.00 10.09 C -ATOM 8777 CZ3 TRP D 248 31.216 -11.360 -36.371 1.00 10.81 C -ATOM 8778 CH2 TRP D 248 30.085 -10.581 -36.144 1.00 10.45 C -ATOM 8779 CZ2 TRP D 248 29.584 -10.313 -34.887 1.00 10.78 C -ATOM 8780 C TRP D 248 33.865 -15.301 -32.954 1.00 9.40 C -ATOM 8781 O TRP D 248 34.662 -15.135 -33.901 1.00 9.46 O -ATOM 8782 N ALA D 249 34.008 -16.305 -32.079 1.00 9.70 N -ATOM 8783 CA ALA D 249 35.172 -17.195 -32.187 1.00 9.22 C -ATOM 8784 CB ALA D 249 35.224 -18.157 -31.046 1.00 8.93 C -ATOM 8785 C ALA D 249 35.118 -17.957 -33.508 1.00 9.11 C -ATOM 8786 O ALA D 249 36.186 -18.250 -34.031 1.00 9.49 O -ATOM 8787 N LYS D 250 33.932 -18.251 -34.051 1.00 9.50 N -ATOM 8788 CA LYS D 250 33.873 -18.991 -35.341 1.00 10.12 C -ATOM 8789 CB LYS D 250 32.442 -19.424 -35.677 1.00 11.76 C -ATOM 8790 CG LYS D 250 31.922 -20.668 -34.959 1.00 14.85 C -ATOM 8791 CD LYS D 250 30.510 -21.042 -35.429 1.00 18.49 C -ATOM 8792 CE LYS D 250 29.779 -22.068 -34.581 1.00 25.09 C -ATOM 8793 NZ LYS D 250 30.487 -23.370 -34.595 1.00 27.27 N -ATOM 8794 C LYS D 250 34.500 -18.137 -36.442 1.00 9.15 C -ATOM 8795 O LYS D 250 35.129 -18.692 -37.330 1.00 9.49 O -ATOM 8796 N GLN D 251 34.306 -16.827 -36.394 1.00 7.94 N -ATOM 8797 CA GLN D 251 34.924 -15.928 -37.394 1.00 8.30 C -ATOM 8798 CB GLN D 251 34.105 -14.667 -37.488 1.00 9.63 C -ATOM 8799 CG GLN D 251 32.902 -14.920 -38.385 1.00 10.64 C -ATOM 8800 CD GLN D 251 33.347 -15.115 -39.823 1.00 11.66 C -ATOM 8801 OE1 GLN D 251 33.264 -16.210 -40.396 1.00 14.97 O -ATOM 8802 NE2 GLN D 251 34.058 -14.122 -40.347 1.00 13.44 N -ATOM 8803 C GLN D 251 36.383 -15.700 -37.055 1.00 7.90 C -ATOM 8804 O GLN D 251 37.151 -15.589 -38.028 1.00 8.31 O -ATOM 8805 N ALA D 252 36.802 -15.641 -35.791 1.00 7.64 N -ATOM 8806 CA ALA D 252 38.254 -15.675 -35.520 1.00 7.76 C -ATOM 8807 CB ALA D 252 38.547 -15.620 -34.038 1.00 7.69 C -ATOM 8808 C ALA D 252 38.872 -16.916 -36.166 1.00 8.03 C -ATOM 8809 O ALA D 252 39.877 -16.797 -36.853 1.00 7.93 O -ATOM 8810 N PHE D 253 38.258 -18.077 -35.978 1.00 8.06 N -ATOM 8811 CA PHE D 253 38.728 -19.345 -36.537 1.00 8.92 C -ATOM 8812 CB PHE D 253 37.803 -20.451 -36.037 1.00 9.67 C -ATOM 8813 CG PHE D 253 38.019 -21.787 -36.696 1.00 10.86 C -ATOM 8814 CD1 PHE D 253 38.989 -22.657 -36.217 1.00 13.07 C -ATOM 8815 CE1 PHE D 253 39.200 -23.895 -36.810 1.00 13.70 C -ATOM 8816 CZ PHE D 253 38.447 -24.267 -37.900 1.00 15.06 C -ATOM 8817 CD2 PHE D 253 37.270 -22.179 -37.793 1.00 12.85 C -ATOM 8818 CE2 PHE D 253 37.465 -23.430 -38.371 1.00 14.35 C -ATOM 8819 C PHE D 253 38.772 -19.230 -38.049 1.00 8.81 C -ATOM 8820 O PHE D 253 39.759 -19.659 -38.639 1.00 8.84 O -ATOM 8821 N ALA D 254 37.731 -18.660 -38.671 1.00 8.31 N -ATOM 8822 CA ALA D 254 37.689 -18.532 -40.152 1.00 8.73 C -ATOM 8823 CB ALA D 254 36.381 -17.924 -40.560 1.00 8.99 C -ATOM 8824 C ALA D 254 38.854 -17.674 -40.633 1.00 8.44 C -ATOM 8825 O ALA D 254 39.320 -17.856 -41.762 1.00 9.44 O -ATOM 8826 N TYR D 255 39.275 -16.711 -39.839 1.00 7.80 N -ATOM 8827 CA TYR D 255 40.346 -15.776 -40.240 1.00 7.28 C -ATOM 8828 CB TYR D 255 40.012 -14.364 -39.721 1.00 7.18 C -ATOM 8829 CG TYR D 255 39.386 -13.501 -40.797 1.00 6.44 C -ATOM 8830 CD2 TYR D 255 40.150 -12.620 -41.538 1.00 7.12 C -ATOM 8831 CE2 TYR D 255 39.583 -11.842 -42.536 1.00 7.15 C -ATOM 8832 CZ TYR D 255 38.252 -11.975 -42.866 1.00 7.17 C -ATOM 8833 OH TYR D 255 37.746 -11.225 -43.901 1.00 7.55 O -ATOM 8834 CE1 TYR D 255 37.478 -12.859 -42.162 1.00 7.41 C -ATOM 8835 CD1 TYR D 255 38.034 -13.611 -41.135 1.00 7.31 C -ATOM 8836 C TYR D 255 41.710 -16.256 -39.729 1.00 6.86 C -ATOM 8837 O TYR D 255 42.694 -15.517 -39.878 1.00 7.56 O -ATOM 8838 N SER D 256 41.801 -17.448 -39.161 1.00 7.60 N -ATOM 8839 CA SER D 256 43.081 -17.917 -38.564 1.00 6.99 C -ATOM 8840 CB SER D 256 44.096 -18.246 -39.594 1.00 7.33 C -ATOM 8841 OG SER D 256 43.604 -19.317 -40.363 1.00 8.17 O -ATOM 8842 C SER D 256 43.602 -16.887 -37.555 1.00 6.55 C -ATOM 8843 O SER D 256 44.810 -16.715 -37.434 1.00 7.44 O -ATOM 8844 N HIS D 257 42.712 -16.260 -36.788 1.00 6.99 N -ATOM 8845 CA HIS D 257 43.103 -15.496 -35.577 1.00 6.43 C -ATOM 8846 CB HIS D 257 42.244 -14.238 -35.438 1.00 5.97 C -ATOM 8847 CG HIS D 257 42.392 -13.223 -36.526 1.00 5.84 C -ATOM 8848 ND1 HIS D 257 41.797 -11.989 -36.405 1.00 6.51 N -ATOM 8849 CE1 HIS D 257 42.030 -11.308 -37.501 1.00 6.27 C -ATOM 8850 NE2 HIS D 257 42.776 -12.040 -38.321 1.00 6.00 N -ATOM 8851 CD2 HIS D 257 43.022 -13.243 -37.706 1.00 5.68 C -ATOM 8852 C HIS D 257 42.904 -16.398 -34.365 1.00 6.38 C -ATOM 8853 O HIS D 257 41.905 -17.100 -34.296 1.00 6.58 O -ATOM 8854 N ILE D 258 43.785 -16.316 -33.384 1.00 6.28 N -ATOM 8855 CA ILE D 258 43.598 -17.081 -32.129 1.00 6.04 C -ATOM 8856 CB ILE D 258 44.910 -17.249 -31.371 1.00 6.81 C -ATOM 8857 CG1 ILE D 258 46.034 -17.753 -32.280 1.00 7.24 C -ATOM 8858 CG2 ILE D 258 44.714 -18.125 -30.159 1.00 7.10 C -ATOM 8859 CD1 ILE D 258 45.681 -19.048 -33.030 1.00 7.85 C -ATOM 8860 C ILE D 258 42.526 -16.392 -31.286 1.00 6.57 C -ATOM 8861 O ILE D 258 42.766 -15.303 -30.726 1.00 7.53 O -ATOM 8862 N GLY D 259 41.414 -17.078 -31.112 1.00 6.05 N -ATOM 8863 CA GLY D 259 40.288 -16.615 -30.292 1.00 6.44 C -ATOM 8864 C GLY D 259 40.414 -17.057 -28.859 1.00 6.96 C -ATOM 8865 O GLY D 259 40.577 -18.241 -28.613 1.00 7.79 O -ATOM 8866 N ARG D 260 40.136 -16.153 -27.933 1.00 7.01 N -ATOM 8867 CA ARG D 260 40.045 -16.494 -26.504 1.00 6.94 C -ATOM 8868 CB ARG D 260 41.138 -15.793 -25.690 1.00 7.44 C -ATOM 8869 CG ARG D 260 41.118 -16.110 -24.189 1.00 8.36 C -ATOM 8870 CD ARG D 260 42.458 -15.786 -23.527 1.00 9.74 C -ATOM 8871 NE ARG D 260 42.539 -16.088 -22.089 1.00 10.81 N -ATOM 8872 CZ ARG D 260 42.037 -15.308 -21.147 1.00 12.14 C -ATOM 8873 NH1 ARG D 260 41.374 -14.228 -21.507 1.00 11.34 N -ATOM 8874 NH2 ARG D 260 42.189 -15.632 -19.872 1.00 14.89 N -ATOM 8875 C ARG D 260 38.689 -16.057 -25.990 1.00 6.57 C -ATOM 8876 O ARG D 260 38.260 -14.928 -26.274 1.00 7.42 O -ATOM 8877 N VAL D 261 38.046 -16.951 -25.246 1.00 6.70 N -ATOM 8878 CA VAL D 261 36.737 -16.651 -24.633 1.00 7.00 C -ATOM 8879 CB VAL D 261 35.620 -17.565 -25.146 1.00 7.47 C -ATOM 8880 CG1 VAL D 261 34.345 -17.364 -24.337 1.00 7.58 C -ATOM 8881 CG2 VAL D 261 35.380 -17.311 -26.612 1.00 7.35 C -ATOM 8882 C VAL D 261 36.906 -16.769 -23.128 1.00 7.37 C -ATOM 8883 O VAL D 261 37.321 -17.864 -22.653 1.00 8.28 O -ATOM 8884 N TRP D 262 36.562 -15.716 -22.407 1.00 8.01 N -ATOM 8885 CA TRP D 262 36.612 -15.688 -20.922 1.00 8.50 C -ATOM 8886 CB TRP D 262 37.588 -14.609 -20.463 1.00 9.20 C -ATOM 8887 CG TRP D 262 37.217 -13.252 -20.948 1.00 11.82 C -ATOM 8888 CD1 TRP D 262 37.641 -12.661 -22.106 1.00 13.09 C -ATOM 8889 NE1 TRP D 262 37.081 -11.428 -22.201 1.00 14.64 N -ATOM 8890 CE2 TRP D 262 36.340 -11.156 -21.095 1.00 15.86 C -ATOM 8891 CD2 TRP D 262 36.367 -12.307 -20.291 1.00 13.50 C -ATOM 8892 CE3 TRP D 262 35.664 -12.296 -19.077 1.00 14.13 C -ATOM 8893 CZ3 TRP D 262 34.929 -11.172 -18.733 1.00 16.09 C -ATOM 8894 CH2 TRP D 262 34.885 -10.061 -19.579 1.00 17.42 C -ATOM 8895 CZ2 TRP D 262 35.564 -10.046 -20.774 1.00 17.17 C -ATOM 8896 C TRP D 262 35.214 -15.526 -20.322 1.00 8.39 C -ATOM 8897 O TRP D 262 34.297 -15.013 -20.984 1.00 10.37 O -ATOM 8898 N GLY D 263 35.060 -15.991 -19.088 1.00 9.05 N -ATOM 8899 CA GLY D 263 33.811 -15.858 -18.327 1.00 8.51 C -ATOM 8900 C GLY D 263 32.763 -16.895 -18.674 1.00 9.42 C -ATOM 8901 O GLY D 263 31.571 -16.704 -18.287 1.00 10.96 O -ATOM 8902 N ASP D 264 33.113 -17.938 -19.377 1.00 9.32 N -ATOM 8903 CA ASP D 264 32.108 -18.948 -19.808 1.00 9.74 C -ATOM 8904 CB ASP D 264 32.098 -19.096 -21.327 1.00 10.18 C -ATOM 8905 CG ASP D 264 30.809 -19.665 -21.886 1.00 10.69 C -ATOM 8906 OD1 ASP D 264 29.772 -19.437 -21.241 1.00 11.59 O -ATOM 8907 OD2 ASP D 264 30.844 -20.254 -22.975 1.00 11.88 O -ATOM 8908 C ASP D 264 32.331 -20.286 -19.113 1.00 9.04 C -ATOM 8909 O ASP D 264 32.221 -21.314 -19.744 1.00 9.07 O -ATOM 8910 N ASP D 265 32.584 -20.246 -17.817 1.00 9.10 N -ATOM 8911 CA ASP D 265 33.091 -21.427 -17.061 1.00 9.51 C -ATOM 8912 CB ASP D 265 33.470 -21.044 -15.630 1.00 10.21 C -ATOM 8913 CG ASP D 265 34.583 -20.019 -15.625 1.00 10.58 C -ATOM 8914 OD1 ASP D 265 34.281 -18.869 -15.996 1.00 11.43 O -ATOM 8915 OD2 ASP D 265 35.712 -20.435 -15.338 1.00 10.58 O -ATOM 8916 C ASP D 265 32.113 -22.598 -16.974 1.00 10.75 C -ATOM 8917 O ASP D 265 32.552 -23.686 -16.670 1.00 11.26 O -ATOM 8918 N GLU D 266 30.831 -22.362 -17.159 1.00 10.36 N -ATOM 8919 CA GLU D 266 29.780 -23.406 -16.955 1.00 12.58 C -ATOM 8920 CB GLU D 266 28.494 -22.804 -16.383 1.00 13.94 C -ATOM 8921 CG GLU D 266 28.627 -22.439 -14.912 1.00 14.41 C -ATOM 8922 CD GLU D 266 29.478 -21.227 -14.568 1.00 14.93 C -ATOM 8923 OE1 GLU D 266 29.184 -20.127 -15.061 1.00 16.11 O -ATOM 8924 OE2 GLU D 266 30.396 -21.389 -13.737 1.00 15.35 O -ATOM 8925 C GLU D 266 29.602 -24.192 -18.255 1.00 12.45 C -ATOM 8926 O GLU D 266 28.811 -25.148 -18.263 1.00 15.77 O -ATOM 8927 N VAL D 267 30.280 -23.807 -19.329 1.00 11.88 N -ATOM 8928 CA VAL D 267 30.255 -24.550 -20.622 1.00 11.72 C -ATOM 8929 CB VAL D 267 30.118 -23.574 -21.798 1.00 12.23 C -ATOM 8930 CG1 VAL D 267 30.343 -24.252 -23.132 1.00 12.17 C -ATOM 8931 CG2 VAL D 267 28.765 -22.911 -21.754 1.00 12.65 C -ATOM 8932 C VAL D 267 31.528 -25.371 -20.701 1.00 12.39 C -ATOM 8933 O VAL D 267 32.624 -24.815 -20.412 1.00 11.29 O -ATOM 8934 N SER D 268 31.437 -26.637 -21.039 1.00 11.81 N -ATOM 8935 CA SER D 268 32.554 -27.571 -20.996 1.00 12.19 C -ATOM 8936 CB SER D 268 32.031 -28.963 -21.170 1.00 12.15 C -ATOM 8937 OG SER D 268 31.620 -29.104 -22.529 1.00 12.78 O -ATOM 8938 C SER D 268 33.599 -27.268 -22.071 1.00 11.56 C -ATOM 8939 O SER D 268 33.316 -26.590 -23.116 1.00 10.79 O -ATOM 8940 N PHE D 269 34.764 -27.817 -21.882 1.00 10.74 N -ATOM 8941 CA PHE D 269 35.840 -27.700 -22.884 1.00 11.14 C -ATOM 8942 CB PHE D 269 37.098 -28.361 -22.396 1.00 10.76 C -ATOM 8943 CG PHE D 269 38.239 -28.326 -23.369 1.00 10.49 C -ATOM 8944 CD1 PHE D 269 38.553 -27.190 -24.140 1.00 11.03 C -ATOM 8945 CE1 PHE D 269 39.664 -27.190 -24.967 1.00 10.28 C -ATOM 8946 CZ PHE D 269 40.469 -28.301 -25.033 1.00 10.58 C -ATOM 8947 CD2 PHE D 269 39.091 -29.403 -23.419 1.00 10.17 C -ATOM 8948 CE2 PHE D 269 40.169 -29.425 -24.281 1.00 11.15 C -ATOM 8949 C PHE D 269 35.328 -28.310 -24.191 1.00 11.05 C -ATOM 8950 O PHE D 269 35.474 -27.703 -25.284 1.00 11.31 O -ATOM 8951 N ALA D 270 34.662 -29.474 -24.135 1.00 11.59 N -ATOM 8952 CA ALA D 270 34.065 -30.091 -25.346 1.00 12.16 C -ATOM 8953 CB ALA D 270 33.379 -31.378 -25.001 1.00 12.45 C -ATOM 8954 C ALA D 270 33.109 -29.132 -26.065 1.00 11.52 C -ATOM 8955 O ALA D 270 33.202 -29.015 -27.323 1.00 12.81 O -ATOM 8956 N GLN D 271 32.229 -28.435 -25.399 1.00 11.91 N -ATOM 8957 CA GLN D 271 31.297 -27.495 -26.076 1.00 13.77 C -ATOM 8958 CB GLN D 271 30.214 -27.027 -25.115 1.00 17.05 C -ATOM 8959 CG GLN D 271 29.219 -28.127 -24.740 1.00 21.05 C -ATOM 8960 CD GLN D 271 27.928 -27.594 -24.172 1.00 26.62 C -ATOM 8961 OE1 GLN D 271 27.913 -26.619 -23.414 1.00 34.80 O -ATOM 8962 NE2 GLN D 271 26.832 -28.239 -24.547 1.00 26.33 N -ATOM 8963 C GLN D 271 32.099 -26.343 -26.676 1.00 12.29 C -ATOM 8964 O GLN D 271 31.806 -25.932 -27.833 1.00 11.87 O -ATOM 8965 N HIS D 272 33.074 -25.797 -25.948 1.00 10.46 N -ATOM 8966 CA HIS D 272 33.956 -24.759 -26.513 1.00 9.70 C -ATOM 8967 CB HIS D 272 34.912 -24.222 -25.447 1.00 9.86 C -ATOM 8968 CG HIS D 272 34.183 -23.395 -24.455 1.00 9.49 C -ATOM 8969 ND1 HIS D 272 34.480 -23.442 -23.095 1.00 9.91 N -ATOM 8970 CE1 HIS D 272 33.700 -22.607 -22.478 1.00 10.33 C -ATOM 8971 NE2 HIS D 272 32.905 -21.979 -23.367 1.00 9.97 N -ATOM 8972 CD2 HIS D 272 33.179 -22.518 -24.592 1.00 9.75 C -ATOM 8973 C HIS D 272 34.699 -25.238 -27.763 1.00 9.90 C -ATOM 8974 O HIS D 272 34.869 -24.406 -28.703 1.00 9.88 O -ATOM 8975 N ILE D 273 35.176 -26.454 -27.812 1.00 10.38 N -ATOM 8976 CA ILE D 273 35.827 -26.999 -29.044 1.00 11.59 C -ATOM 8977 CB ILE D 273 36.323 -28.430 -28.800 1.00 12.54 C -ATOM 8978 CG1 ILE D 273 37.508 -28.407 -27.838 1.00 12.51 C -ATOM 8979 CG2 ILE D 273 36.680 -29.128 -30.106 1.00 12.61 C -ATOM 8980 CD1 ILE D 273 37.953 -29.760 -27.338 1.00 13.42 C -ATOM 8981 C ILE D 273 34.835 -26.957 -30.198 1.00 11.95 C -ATOM 8982 O ILE D 273 35.174 -26.508 -31.286 1.00 10.88 O -ATOM 8983 N ASN D 274 33.596 -27.359 -29.957 1.00 11.99 N -ATOM 8984 CA ASN D 274 32.539 -27.375 -31.004 1.00 13.53 C -ATOM 8985 CB ASN D 274 31.313 -28.122 -30.453 1.00 15.75 C -ATOM 8986 CG ASN D 274 31.646 -29.564 -30.051 1.00 16.79 C -ATOM 8987 OD1 ASN D 274 32.636 -30.167 -30.498 1.00 20.43 O -ATOM 8988 ND2 ASN D 274 30.867 -30.126 -29.123 1.00 16.90 N -ATOM 8989 C ASN D 274 32.274 -25.929 -31.459 1.00 12.80 C -ATOM 8990 O ASN D 274 31.874 -25.736 -32.642 1.00 13.15 O -ATOM 8991 N GLN D 275 32.498 -24.932 -30.579 1.00 11.54 N -ATOM 8992 CA GLN D 275 32.287 -23.485 -30.865 1.00 10.91 C -ATOM 8993 CB GLN D 275 31.820 -22.801 -29.583 1.00 11.04 C -ATOM 8994 CG GLN D 275 30.468 -23.359 -29.150 1.00 13.05 C -ATOM 8995 CD GLN D 275 29.990 -23.003 -27.762 1.00 15.28 C -ATOM 8996 OE1 GLN D 275 30.715 -22.471 -26.918 1.00 15.02 O -ATOM 8997 NE2 GLN D 275 28.734 -23.321 -27.508 1.00 19.28 N -ATOM 8998 C GLN D 275 33.545 -22.825 -31.454 1.00 9.25 C -ATOM 8999 O GLN D 275 33.509 -21.592 -31.621 1.00 9.99 O -ATOM 9000 N LYS D 276 34.561 -23.603 -31.763 1.00 8.90 N -ATOM 9001 CA LYS D 276 35.765 -23.163 -32.523 1.00 8.69 C -ATOM 9002 CB LYS D 276 35.421 -22.643 -33.922 1.00 9.31 C -ATOM 9003 CG LYS D 276 34.714 -23.658 -34.818 1.00 11.85 C -ATOM 9004 CD LYS D 276 35.553 -24.882 -35.092 1.00 14.98 C -ATOM 9005 CE LYS D 276 34.893 -25.784 -36.114 1.00 16.72 C -ATOM 9006 NZ LYS D 276 35.476 -27.139 -36.129 1.00 17.77 N -ATOM 9007 C LYS D 276 36.581 -22.137 -31.739 1.00 7.84 C -ATOM 9008 O LYS D 276 37.159 -21.216 -32.332 1.00 8.08 O -ATOM 9009 N ILE D 277 36.639 -22.294 -30.418 1.00 7.56 N -ATOM 9010 CA ILE D 277 37.391 -21.374 -29.525 1.00 7.32 C -ATOM 9011 CB ILE D 277 36.619 -21.209 -28.220 1.00 7.73 C -ATOM 9012 CG1 ILE D 277 35.265 -20.537 -28.443 1.00 7.54 C -ATOM 9013 CG2 ILE D 277 37.468 -20.478 -27.228 1.00 8.28 C -ATOM 9014 CD1 ILE D 277 34.247 -20.848 -27.343 1.00 8.78 C -ATOM 9015 C ILE D 277 38.784 -21.963 -29.301 1.00 7.03 C -ATOM 9016 O ILE D 277 38.925 -23.117 -28.804 1.00 7.80 O -ATOM 9017 N ASN D 278 39.802 -21.211 -29.655 1.00 6.47 N -ATOM 9018 CA ASN D 278 41.167 -21.709 -29.390 1.00 6.93 C -ATOM 9019 CB ASN D 278 42.194 -20.836 -30.086 1.00 6.92 C -ATOM 9020 CG ASN D 278 42.194 -21.026 -31.593 1.00 6.98 C -ATOM 9021 OD1 ASN D 278 42.684 -22.055 -32.111 1.00 9.09 O -ATOM 9022 ND2 ASN D 278 41.735 -20.020 -32.304 1.00 5.21 N -ATOM 9023 C ASN D 278 41.532 -21.714 -27.921 1.00 7.04 C -ATOM 9024 O ASN D 278 42.124 -22.745 -27.488 1.00 7.74 O -ATOM 9025 N LEU D 279 41.213 -20.661 -27.187 1.00 6.54 N -ATOM 9026 CA LEU D 279 41.638 -20.560 -25.779 1.00 7.02 C -ATOM 9027 CB LEU D 279 42.626 -19.402 -25.608 1.00 6.64 C -ATOM 9028 CG LEU D 279 43.846 -19.427 -26.546 1.00 6.81 C -ATOM 9029 CD1 LEU D 279 44.692 -18.168 -26.378 1.00 7.39 C -ATOM 9030 CD2 LEU D 279 44.742 -20.687 -26.439 1.00 7.36 C -ATOM 9031 C LEU D 279 40.413 -20.312 -24.923 1.00 7.06 C -ATOM 9032 O LEU D 279 39.840 -19.243 -24.976 1.00 7.77 O -ATOM 9033 N SER D 280 39.991 -21.315 -24.175 1.00 6.77 N -ATOM 9034 CA SER D 280 38.802 -21.253 -23.304 1.00 7.84 C -ATOM 9035 CB SER D 280 38.032 -22.536 -23.377 1.00 8.19 C -ATOM 9036 OG SER D 280 37.333 -22.660 -24.591 1.00 9.95 O -ATOM 9037 C SER D 280 39.282 -20.998 -21.876 1.00 7.28 C -ATOM 9038 O SER D 280 39.874 -21.908 -21.274 1.00 7.63 O -ATOM 9039 N ALA D 281 39.083 -19.801 -21.345 1.00 7.13 N -ATOM 9040 CA ALA D 281 39.682 -19.452 -20.044 1.00 7.63 C -ATOM 9041 CB ALA D 281 39.873 -17.962 -19.992 1.00 8.34 C -ATOM 9042 C ALA D 281 38.743 -19.903 -18.927 1.00 7.73 C -ATOM 9043 O ALA D 281 37.580 -19.549 -18.893 1.00 8.52 O -ATOM 9044 N TYR D 282 39.286 -20.650 -17.985 1.00 7.59 N -ATOM 9045 CA TYR D 282 38.551 -21.141 -16.818 1.00 7.58 C -ATOM 9046 CB TYR D 282 38.429 -22.657 -16.862 1.00 7.81 C -ATOM 9047 CG TYR D 282 37.552 -23.179 -17.953 1.00 8.49 C -ATOM 9048 CD1 TYR D 282 36.203 -23.432 -17.739 1.00 8.90 C -ATOM 9049 CE1 TYR D 282 35.405 -23.997 -18.732 1.00 9.20 C -ATOM 9050 CZ TYR D 282 35.981 -24.300 -19.948 1.00 9.24 C -ATOM 9051 OH TYR D 282 35.241 -24.896 -20.936 1.00 9.96 O -ATOM 9052 CE2 TYR D 282 37.328 -24.083 -20.153 1.00 8.62 C -ATOM 9053 CD2 TYR D 282 38.105 -23.532 -19.160 1.00 8.66 C -ATOM 9054 C TYR D 282 39.283 -20.779 -15.535 1.00 8.03 C -ATOM 9055 O TYR D 282 40.481 -21.010 -15.391 1.00 7.79 O -ATOM 9056 N TYR D 283 38.519 -20.302 -14.555 1.00 7.52 N -ATOM 9057 CA TYR D 283 39.104 -20.166 -13.193 1.00 8.95 C -ATOM 9058 CB TYR D 283 38.058 -19.661 -12.229 1.00 9.08 C -ATOM 9059 CG TYR D 283 37.570 -18.286 -12.557 1.00 9.89 C -ATOM 9060 CD1 TYR D 283 38.427 -17.209 -12.468 1.00 10.68 C -ATOM 9061 CE1 TYR D 283 38.015 -15.933 -12.757 1.00 11.93 C -ATOM 9062 CZ TYR D 283 36.707 -15.693 -13.132 1.00 11.93 C -ATOM 9063 OH TYR D 283 36.304 -14.408 -13.383 1.00 13.83 O -ATOM 9064 CE2 TYR D 283 35.811 -16.753 -13.237 1.00 11.42 C -ATOM 9065 CD2 TYR D 283 36.261 -18.040 -12.970 1.00 10.29 C -ATOM 9066 C TYR D 283 39.647 -21.520 -12.725 1.00 8.49 C -ATOM 9067 O TYR D 283 40.775 -21.620 -12.200 1.00 8.78 O -ATOM 9068 N ARG D 284 38.797 -22.531 -12.806 1.00 8.55 N -ATOM 9069 CA ARG D 284 39.101 -23.924 -12.353 1.00 9.54 C -ATOM 9070 CB ARG D 284 37.849 -24.537 -11.711 1.00 10.59 C -ATOM 9071 CG ARG D 284 37.245 -23.673 -10.605 1.00 12.39 C -ATOM 9072 CD ARG D 284 35.850 -24.160 -10.185 1.00 13.60 C -ATOM 9073 NE ARG D 284 35.938 -25.494 -9.590 1.00 15.28 N -ATOM 9074 CZ ARG D 284 34.898 -26.216 -9.231 1.00 14.55 C -ATOM 9075 NH1 ARG D 284 33.670 -25.753 -9.436 1.00 12.08 N -ATOM 9076 NH2 ARG D 284 35.072 -27.413 -8.693 1.00 17.30 N -ATOM 9077 C ARG D 284 39.591 -24.724 -13.562 1.00 9.03 C -ATOM 9078 O ARG D 284 38.909 -25.678 -14.040 1.00 10.24 O -ATOM 9079 N PHE D 285 40.779 -24.397 -14.036 1.00 8.66 N -ATOM 9080 CA PHE D 285 41.280 -24.933 -15.306 1.00 9.16 C -ATOM 9081 CB PHE D 285 42.522 -24.163 -15.747 1.00 7.75 C -ATOM 9082 CG PHE D 285 43.577 -23.993 -14.696 1.00 8.94 C -ATOM 9083 CD1 PHE D 285 44.530 -24.970 -14.448 1.00 9.82 C -ATOM 9084 CE1 PHE D 285 45.469 -24.794 -13.441 1.00 10.82 C -ATOM 9085 CZ PHE D 285 45.416 -23.689 -12.621 1.00 10.41 C -ATOM 9086 CD2 PHE D 285 43.554 -22.857 -13.899 1.00 8.90 C -ATOM 9087 CE2 PHE D 285 44.466 -22.709 -12.855 1.00 9.92 C -ATOM 9088 C PHE D 285 41.571 -26.431 -15.154 1.00 8.94 C -ATOM 9089 O PHE D 285 41.333 -27.175 -16.141 1.00 8.52 O -ATOM 9090 N ALA D 286 42.067 -26.926 -14.014 1.00 9.58 N -ATOM 9091 CA ALA D 286 42.480 -28.354 -13.957 1.00 10.49 C -ATOM 9092 CB ALA D 286 43.258 -28.647 -12.698 1.00 10.73 C -ATOM 9093 C ALA D 286 41.250 -29.253 -14.046 1.00 10.92 C -ATOM 9094 O ALA D 286 41.386 -30.376 -14.538 1.00 11.91 O -ATOM 9095 N ALA D 287 40.083 -28.765 -13.634 1.00 10.53 N -ATOM 9096 CA ALA D 287 38.832 -29.543 -13.624 1.00 11.21 C -ATOM 9097 CB ALA D 287 37.789 -28.908 -12.749 1.00 12.43 C -ATOM 9098 C ALA D 287 38.301 -29.724 -15.040 1.00 11.40 C -ATOM 9099 O ALA D 287 37.349 -30.527 -15.199 1.00 12.84 O -ATOM 9100 N GLN D 288 38.862 -29.052 -16.046 1.00 10.16 N -ATOM 9101 CA GLN D 288 38.329 -29.128 -17.428 1.00 10.79 C -ATOM 9102 CB GLN D 288 38.363 -27.775 -18.139 1.00 10.99 C -ATOM 9103 CG GLN D 288 37.944 -26.612 -17.251 1.00 12.12 C -ATOM 9104 CD GLN D 288 36.580 -26.759 -16.660 1.00 12.34 C -ATOM 9105 OE1 GLN D 288 35.688 -27.291 -17.292 1.00 13.91 O -ATOM 9106 NE2 GLN D 288 36.425 -26.325 -15.430 1.00 12.64 N -ATOM 9107 C GLN D 288 39.171 -30.099 -18.231 1.00 10.85 C -ATOM 9108 O GLN D 288 40.415 -30.108 -18.115 1.00 13.19 O -ATOM 9109 N SER D 289 38.499 -30.856 -19.089 1.00 11.11 N -ATOM 9110 CA SER D 289 39.160 -31.760 -20.041 1.00 11.85 C -ATOM 9111 CB SER D 289 39.859 -32.895 -19.328 1.00 12.11 C -ATOM 9112 OG SER D 289 38.899 -33.718 -18.689 1.00 15.36 O -ATOM 9113 C SER D 289 38.069 -32.279 -20.977 1.00 10.77 C -ATOM 9114 O SER D 289 36.896 -32.168 -20.693 1.00 12.42 O -ATOM 9115 N ALA D 290 38.528 -32.833 -22.081 1.00 11.23 N -ATOM 9116 CA ALA D 290 37.666 -33.530 -23.059 1.00 11.86 C -ATOM 9117 CB ALA D 290 37.398 -32.666 -24.269 1.00 11.28 C -ATOM 9118 C ALA D 290 38.414 -34.786 -23.459 1.00 12.49 C -ATOM 9119 O ALA D 290 39.464 -34.678 -24.015 1.00 12.70 O -ATOM 9120 N GLY D 291 37.860 -35.972 -23.153 1.00 13.42 N -ATOM 9121 CA GLY D 291 38.512 -37.284 -23.402 1.00 14.01 C -ATOM 9122 C GLY D 291 39.900 -37.351 -22.783 1.00 13.57 C -ATOM 9123 O GLY D 291 40.784 -37.914 -23.342 1.00 14.33 O -ATOM 9124 N GLY D 292 40.054 -36.709 -21.631 1.00 14.27 N -ATOM 9125 CA GLY D 292 41.308 -36.758 -20.851 1.00 13.98 C -ATOM 9126 C GLY D 292 42.292 -35.698 -21.276 1.00 13.65 C -ATOM 9127 O GLY D 292 43.343 -35.585 -20.654 1.00 15.34 O -ATOM 9128 N TYR D 293 41.932 -34.873 -22.257 1.00 13.50 N -ATOM 9129 CA TYR D 293 42.865 -33.850 -22.772 1.00 12.22 C -ATOM 9130 CB TYR D 293 43.003 -34.070 -24.271 1.00 13.82 C -ATOM 9131 CG TYR D 293 43.613 -35.400 -24.681 1.00 14.13 C -ATOM 9132 CD1 TYR D 293 44.842 -35.801 -24.204 1.00 15.57 C -ATOM 9133 CE1 TYR D 293 45.415 -37.004 -24.612 1.00 16.75 C -ATOM 9134 CZ TYR D 293 44.754 -37.812 -25.522 1.00 17.52 C -ATOM 9135 OH TYR D 293 45.293 -39.004 -25.921 1.00 21.02 O -ATOM 9136 CE2 TYR D 293 43.525 -37.431 -26.014 1.00 15.98 C -ATOM 9137 CD2 TYR D 293 42.960 -36.238 -25.580 1.00 16.05 C -ATOM 9138 C TYR D 293 42.401 -32.421 -22.428 1.00 10.67 C -ATOM 9139 O TYR D 293 41.192 -32.135 -22.331 1.00 12.15 O -ATOM 9140 N ARG D 294 43.393 -31.558 -22.229 1.00 10.10 N -ATOM 9141 CA ARG D 294 43.199 -30.098 -22.150 1.00 9.32 C -ATOM 9142 CB ARG D 294 43.850 -29.560 -20.885 1.00 9.11 C -ATOM 9143 CG ARG D 294 43.319 -30.192 -19.614 1.00 10.78 C -ATOM 9144 CD ARG D 294 43.516 -29.260 -18.422 1.00 10.83 C -ATOM 9145 NE ARG D 294 43.222 -29.992 -17.175 1.00 11.53 N -ATOM 9146 CZ ARG D 294 44.082 -30.800 -16.565 1.00 12.72 C -ATOM 9147 NH1 ARG D 294 45.307 -30.894 -16.995 1.00 11.69 N -ATOM 9148 NH2 ARG D 294 43.740 -31.447 -15.468 1.00 13.89 N -ATOM 9149 C ARG D 294 43.752 -29.357 -23.381 1.00 9.48 C -ATOM 9150 O ARG D 294 43.558 -28.134 -23.454 1.00 10.02 O -ATOM 9151 N ILE D 295 44.399 -30.062 -24.294 1.00 9.73 N -ATOM 9152 CA ILE D 295 44.914 -29.489 -25.562 1.00 10.07 C -ATOM 9153 CB ILE D 295 46.403 -29.132 -25.486 1.00 10.30 C -ATOM 9154 CG1 ILE D 295 46.656 -28.096 -24.384 1.00 9.90 C -ATOM 9155 CG2 ILE D 295 46.920 -28.672 -26.853 1.00 10.58 C -ATOM 9156 CD1 ILE D 295 48.055 -27.582 -24.403 1.00 11.35 C -ATOM 9157 C ILE D 295 44.630 -30.531 -26.644 1.00 9.72 C -ATOM 9158 O ILE D 295 45.089 -31.685 -26.537 1.00 10.73 O -ATOM 9159 N ARG D 296 43.898 -30.145 -27.676 1.00 9.94 N -ATOM 9160 CA ARG D 296 43.581 -31.106 -28.752 1.00 10.84 C -ATOM 9161 CB ARG D 296 42.316 -31.912 -28.468 1.00 14.19 C -ATOM 9162 CG ARG D 296 42.169 -32.567 -27.109 1.00 18.04 C -ATOM 9163 CD ARG D 296 40.798 -33.222 -27.059 1.00 22.44 C -ATOM 9164 NE ARG D 296 40.712 -34.400 -27.919 1.00 24.29 N -ATOM 9165 CZ ARG D 296 39.816 -35.384 -27.783 1.00 25.64 C -ATOM 9166 NH1 ARG D 296 38.899 -35.343 -26.832 1.00 23.00 N -ATOM 9167 NH2 ARG D 296 39.823 -36.395 -28.632 1.00 30.87 N -ATOM 9168 C ARG D 296 43.266 -30.325 -30.010 1.00 10.42 C -ATOM 9169 O ARG D 296 42.797 -29.188 -29.936 1.00 9.72 O -ATOM 9170 N PRO D 297 43.412 -30.960 -31.182 1.00 9.46 N -ATOM 9171 CA PRO D 297 42.924 -30.350 -32.414 1.00 11.07 C -ATOM 9172 CB PRO D 297 43.328 -31.380 -33.495 1.00 10.86 C -ATOM 9173 CG PRO D 297 44.398 -32.238 -32.875 1.00 11.01 C -ATOM 9174 CD PRO D 297 44.042 -32.288 -31.404 1.00 10.38 C -ATOM 9175 C PRO D 297 41.401 -30.224 -32.348 1.00 10.90 C -ATOM 9176 O PRO D 297 40.817 -31.025 -31.702 1.00 12.27 O -ATOM 9177 N PHE D 298 40.793 -29.261 -33.045 1.00 11.72 N -ATOM 9178 CA PHE D 298 39.309 -29.179 -33.113 1.00 12.95 C -ATOM 9179 CB PHE D 298 38.917 -27.987 -33.993 1.00 12.23 C -ATOM 9180 CG PHE D 298 39.209 -26.644 -33.370 1.00 11.55 C -ATOM 9181 CD1 PHE D 298 38.490 -26.218 -32.274 1.00 11.29 C -ATOM 9182 CE1 PHE D 298 38.734 -24.975 -31.691 1.00 11.45 C -ATOM 9183 CZ PHE D 298 39.705 -24.158 -32.189 1.00 11.77 C -ATOM 9184 CD2 PHE D 298 40.193 -25.805 -33.864 1.00 11.82 C -ATOM 9185 CE2 PHE D 298 40.455 -24.580 -33.257 1.00 11.34 C -ATOM 9186 C PHE D 298 38.677 -30.474 -33.639 1.00 16.68 C -ATOM 9187 O PHE D 298 39.314 -31.093 -34.468 1.00 19.74 O -END diff --git a/tests/test_data/5fyp_final.pdb b/tests/test_data/5fyp_final.pdb deleted file mode 100644 index 23eca3e..0000000 --- a/tests/test_data/5fyp_final.pdb +++ /dev/null @@ -1,9259 +0,0 @@ -HEADER ---- 19-FEB-19 xxxx -TITLE --- -COMPND --- -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 5.8.0238 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, -REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.17 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 67.70 -REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE -REMARK 3 COMPLETENESS FOR RANGE (%) : 99.94 -REMARK 3 NUMBER OF REFLECTIONS : 328549 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING + TEST SET) : 0.23526 -REMARK 3 R VALUE (WORKING SET) : 0.23461 -REMARK 3 FREE R VALUE : 0.24728 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 -REMARK 3 FREE R VALUE TEST SET COUNT : 17411 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 20 -REMARK 3 BIN RESOLUTION RANGE HIGH : 1.170 -REMARK 3 BIN RESOLUTION RANGE LOW : 1.200 -REMARK 3 REFLECTION IN BIN (WORKING SET) : 24130 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.79 -REMARK 3 BIN R VALUE (WORKING SET) : 0.253 -REMARK 3 BIN FREE R VALUE SET COUNT : 1241 -REMARK 3 BIN FREE R VALUE : 0.268 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 ALL ATOMS : 9131 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 9.716 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 0.02 -REMARK 3 B22 (A**2) : 0.02 -REMARK 3 B33 (A**2) : -0.04 -REMARK 3 B12 (A**2) : -0.00 -REMARK 3 B13 (A**2) : -0.00 -REMARK 3 B23 (A**2) : -0.00 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): 0.049 -REMARK 3 ESU BASED ON FREE R VALUE (A): 0.049 -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.033 -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.679 -REMARK 3 -REMARK 3 CORRELATION COEFFICIENTS. -REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.931 -REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.933 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT -REMARK 3 BOND LENGTHS REFINED ATOMS (A): 9373 ; 0.013 ; 0.013 -REMARK 3 BOND LENGTHS OTHERS (A): 8141 ; 0.001 ; 0.017 -REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 12692 ; 1.751 ; 1.632 -REMARK 3 BOND ANGLES OTHERS (DEGREES): 18998 ; 1.611 ; 1.583 -REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 1163 ; 6.926 ; 5.000 -REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 508 ;33.685 ;23.642 -REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 1492 ;11.590 ;15.000 -REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 40 ;17.163 ;15.000 -REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 1159 ; 0.087 ; 0.200 -REMARK 3 GENERAL PLANES REFINED ATOMS (A): 10750 ; 0.010 ; 0.020 -REMARK 3 GENERAL PLANES OTHERS (A): 2011 ; 0.001 ; 0.020 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 4679 ; 0.959 ; 0.948 -REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 4678 ; 0.957 ; 0.948 -REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 5833 ; 1.431 ; 1.424 -REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 5834 ; 1.431 ; 1.424 -REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 4691 ; 1.607 ; 1.118 -REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 4691 ; 1.606 ; 1.118 -REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 6859 ; 2.360 ; 1.614 -REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 10378 ; 2.869 ;11.249 -REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 10379 ; 2.868 ;11.248 -REMARK 3 -REMARK 3 NCS RESTRAINTS STATISTICS -REMARK 3 NUMBER OF NCS GROUPS : NULL -REMARK 3 -REMARK 3 TWIN DETAILS -REMARK 3 NUMBER OF TWIN DOMAINS : NULL -REMARK 3 -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : NULL -REMARK 3 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : MASK -REMARK 3 PARAMETERS FOR MASK CALCULATION -REMARK 3 VDW PROBE RADIUS : 1.20 -REMARK 3 ION PROBE RADIUS : 0.80 -REMARK 3 SHRINKAGE RADIUS : 0.80 -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: -REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS -REMARK 3 U VALUES : REFINED INDIVIDUALLY -REMARK 3 -LINKR GLY A 73 SER A 78 gap -LINKR THR A 85 LYS A 91 gap -LINKR ASP B 87 LYS B 91 gap -LINKR ASP C 87 LYS C 91 gap -LINKR GLY D 86 GLY D 90 gap -SSBOND 1 CYS A 25 CYS A 28 -SSBOND 2 CYS A 84 CYS A 97 -SSBOND 3 CYS B 25 CYS B 28 -SSBOND 4 CYS B 84 CYS B 97 -SSBOND 5 CYS C 25 CYS C 28 -SSBOND 6 CYS C 84 CYS C 97 -SSBOND 7 CYS D 25 CYS D 28 -SSBOND 8 CYS D 84 CYS D 97 -CRYST1 135.210 135.210 112.470 90.00 90.00 90.00 P 43 21 2 -SCALE1 0.007396 0.000000 0.000000 0.00000 -SCALE2 -0.000000 0.007396 0.000000 0.00000 -SCALE3 0.000000 -0.000000 0.008891 0.00000 -ATOM 1 N GLN A 2 60.427 -33.228 -27.758 1.00 28.63 N -ATOM 2 CA GLN A 2 58.928 -32.983 -27.802 1.00 27.67 C -ATOM 3 CB GLN A 2 58.342 -33.609 -29.071 1.00 30.55 C -ATOM 4 CG GLN A 2 57.009 -33.032 -29.520 1.00 28.63 C -ATOM 5 CD GLN A 2 56.352 -33.840 -30.622 1.00 26.46 C -ATOM 6 OE1 GLN A 2 55.699 -34.854 -30.370 1.00 30.21 O -ATOM 7 NE2 GLN A 2 56.470 -33.371 -31.859 1.00 25.59 N -ATOM 8 C GLN A 2 58.296 -33.566 -26.528 1.00 25.58 C -ATOM 9 O GLN A 2 58.443 -34.775 -26.299 1.00 28.50 O -ATOM 10 N GLU A 3 57.680 -32.739 -25.678 1.00 21.28 N -ATOM 11 CA GLU A 3 57.110 -33.216 -24.391 1.00 20.03 C -ATOM 12 CB GLU A 3 56.793 -32.046 -23.457 1.00 18.11 C -ATOM 13 CG GLU A 3 55.619 -31.196 -23.900 1.00 16.49 C -ATOM 14 CD GLU A 3 55.086 -30.212 -22.875 1.00 15.45 C -ATOM 15 OE1 GLU A 3 55.329 -30.404 -21.652 1.00 16.43 O -ATOM 16 OE2 GLU A 3 54.406 -29.277 -23.295 1.00 15.34 O -ATOM 17 C GLU A 3 55.870 -34.077 -24.666 1.00 19.42 C -ATOM 18 O GLU A 3 55.319 -34.032 -25.767 1.00 19.42 O -ATOM 19 N SER A 4 55.408 -34.814 -23.665 1.00 19.58 N -ATOM 20 CA SER A 4 54.231 -35.699 -23.802 1.00 19.69 C -ATOM 21 CB SER A 4 54.646 -37.051 -24.333 1.00 23.53 C -ATOM 22 OG SER A 4 55.661 -37.619 -23.518 1.00 24.83 O -ATOM 23 C SER A 4 53.461 -35.811 -22.490 1.00 19.26 C -ATOM 24 O SER A 4 53.084 -36.900 -22.076 1.00 22.53 O -ATOM 25 N PRO A 5 53.123 -34.699 -21.798 1.00 16.70 N -ATOM 26 CA PRO A 5 52.240 -34.828 -20.645 1.00 16.38 C -ATOM 27 CB PRO A 5 52.150 -33.384 -20.118 1.00 17.06 C -ATOM 28 CG PRO A 5 52.422 -32.528 -21.330 1.00 17.48 C -ATOM 29 CD PRO A 5 53.452 -33.298 -22.121 1.00 17.62 C -ATOM 30 C PRO A 5 50.890 -35.397 -21.085 1.00 15.43 C -ATOM 31 O PRO A 5 50.433 -35.158 -22.184 1.00 15.97 O -ATOM 32 N ALA A 6 50.214 -36.082 -20.184 1.00 14.85 N -ATOM 33 CA ALA A 6 48.965 -36.808 -20.458 1.00 14.82 C -ATOM 34 CB ALA A 6 48.433 -37.476 -19.199 1.00 15.45 C -ATOM 35 C ALA A 6 47.941 -35.849 -21.072 1.00 12.73 C -ATOM 36 O ALA A 6 47.168 -36.299 -21.902 1.00 14.49 O -ATOM 37 N PHE A 7 47.897 -34.596 -20.610 1.00 12.82 N -ATOM 38 CA PHE A 7 46.805 -33.663 -20.973 1.00 12.02 C -ATOM 39 CB PHE A 7 46.741 -32.503 -19.971 1.00 12.31 C -ATOM 40 CG PHE A 7 47.819 -31.457 -20.044 1.00 12.45 C -ATOM 41 CD1 PHE A 7 47.765 -30.454 -21.012 1.00 11.95 C -ATOM 42 CE1 PHE A 7 48.687 -29.429 -21.007 1.00 12.28 C -ATOM 43 CZ PHE A 7 49.717 -29.434 -20.100 1.00 13.60 C -ATOM 44 CD2 PHE A 7 48.858 -31.438 -19.123 1.00 13.38 C -ATOM 45 CE2 PHE A 7 49.802 -30.435 -19.161 1.00 13.15 C -ATOM 46 C PHE A 7 46.907 -33.206 -22.436 1.00 10.97 C -ATOM 47 O PHE A 7 45.933 -32.521 -22.872 1.00 11.61 O -ATOM 48 N ILE A 8 47.981 -33.470 -23.158 1.00 11.21 N -ATOM 49 CA ILE A 8 48.147 -32.993 -24.557 1.00 12.25 C -ATOM 50 CB ILE A 8 49.539 -32.420 -24.818 1.00 11.63 C -ATOM 51 CG1 ILE A 8 49.821 -31.243 -23.881 1.00 12.82 C -ATOM 52 CG2 ILE A 8 49.672 -32.010 -26.281 1.00 12.43 C -ATOM 53 CD1 ILE A 8 51.130 -30.585 -24.124 1.00 14.16 C -ATOM 54 C ILE A 8 47.821 -34.151 -25.492 1.00 11.67 C -ATOM 55 O ILE A 8 48.523 -35.162 -25.488 1.00 12.77 O -ATOM 56 N ASP A 9 46.790 -34.019 -26.310 1.00 12.47 N -ATOM 57 CA ASP A 9 46.500 -35.029 -27.350 1.00 12.17 C -ATOM 58 CB ASP A 9 45.209 -34.611 -28.036 1.00 13.69 C -ATOM 59 CG ASP A 9 44.751 -35.542 -29.124 1.00 14.42 C -ATOM 60 OD1 ASP A 9 45.610 -36.258 -29.663 1.00 13.46 O -ATOM 61 OD2 ASP A 9 43.554 -35.520 -29.388 1.00 18.53 O -ATOM 62 C ASP A 9 47.695 -35.045 -28.276 1.00 13.13 C -ATOM 63 O ASP A 9 47.993 -33.978 -28.834 1.00 13.91 O -ATOM 64 N PRO A 10 48.354 -36.209 -28.528 1.00 14.43 N -ATOM 65 CA PRO A 10 49.528 -36.238 -29.405 1.00 14.26 C -ATOM 66 CB PRO A 10 49.906 -37.737 -29.441 1.00 15.48 C -ATOM 67 CG PRO A 10 49.366 -38.308 -28.149 1.00 17.30 C -ATOM 68 CD PRO A 10 48.118 -37.498 -27.844 1.00 15.64 C -ATOM 69 C PRO A 10 49.295 -35.755 -30.856 1.00 12.52 C -ATOM 70 O PRO A 10 50.252 -35.319 -31.516 1.00 14.17 O -ATOM 71 N ALA A 11 48.043 -35.811 -31.308 1.00 13.49 N -ATOM 72 CA ALA A 11 47.653 -35.289 -32.648 1.00 13.26 C -ATOM 73 CB ALA A 11 46.216 -35.563 -32.962 1.00 13.69 C -ATOM 74 C ALA A 11 47.899 -33.773 -32.715 1.00 13.01 C -ATOM 75 O ALA A 11 47.932 -33.217 -33.824 1.00 13.38 O -ATOM 76 N SER A 12 48.008 -33.098 -31.573 1.00 12.40 N -ATOM 77 CA SER A 12 48.177 -31.628 -31.527 1.00 12.42 C -ATOM 78 CB SER A 12 48.200 -31.125 -30.119 1.00 11.34 C -ATOM 79 OG SER A 12 47.022 -31.415 -29.434 1.00 11.30 O -ATOM 80 C SER A 12 49.474 -31.229 -32.233 1.00 12.05 C -ATOM 81 O SER A 12 49.551 -30.122 -32.787 1.00 11.38 O -ATOM 82 N TRP A 13 50.516 -32.052 -32.166 1.00 12.96 N -ATOM 83 CA TRP A 13 51.890 -31.634 -32.478 1.00 13.33 C -ATOM 84 CB TRP A 13 52.888 -32.722 -32.039 1.00 14.28 C -ATOM 85 CG TRP A 13 53.024 -32.783 -30.553 1.00 14.34 C -ATOM 86 CD1 TRP A 13 52.486 -33.699 -29.689 1.00 14.75 C -ATOM 87 NE1 TRP A 13 52.811 -33.372 -28.401 1.00 16.26 N -ATOM 88 CE2 TRP A 13 53.534 -32.208 -28.400 1.00 14.68 C -ATOM 89 CD2 TRP A 13 53.669 -31.795 -29.741 1.00 14.86 C -ATOM 90 CE3 TRP A 13 54.408 -30.649 -30.034 1.00 15.27 C -ATOM 91 CZ3 TRP A 13 54.934 -29.917 -28.996 1.00 15.04 C -ATOM 92 CH2 TRP A 13 54.833 -30.366 -27.688 1.00 15.56 C -ATOM 93 CZ2 TRP A 13 54.082 -31.470 -27.348 1.00 16.10 C -ATOM 94 C TRP A 13 52.020 -31.267 -33.951 1.00 13.35 C -ATOM 95 O TRP A 13 52.722 -30.292 -34.240 1.00 12.33 O -ATOM 96 N ASN A 14 51.377 -32.016 -34.833 1.00 13.85 N -ATOM 97 CA ASN A 14 51.454 -31.776 -36.286 1.00 14.10 C -ATOM 98 CB ASN A 14 51.531 -33.141 -36.975 1.00 16.95 C -ATOM 99 CG ASN A 14 52.021 -33.070 -38.401 1.00 21.60 C -ATOM 100 OD1 ASN A 14 52.872 -32.250 -38.731 1.00 23.25 O -ATOM 101 ND2 ASN A 14 51.507 -33.952 -39.240 1.00 25.55 N -ATOM 102 C ASN A 14 50.264 -30.900 -36.721 1.00 13.23 C -ATOM 103 O ASN A 14 50.036 -30.736 -37.921 1.00 15.25 O -ATOM 104 N THR A 15 49.559 -30.266 -35.776 1.00 11.61 N -ATOM 105 CA THR A 15 48.456 -29.339 -36.107 1.00 10.74 C -ATOM 106 CB THR A 15 47.294 -29.529 -35.143 1.00 10.57 C -ATOM 107 OG1 THR A 15 47.007 -30.933 -35.097 1.00 13.02 O -ATOM 108 CG2 THR A 15 46.066 -28.750 -35.557 1.00 11.08 C -ATOM 109 C THR A 15 48.922 -27.898 -36.085 1.00 10.19 C -ATOM 110 O THR A 15 49.580 -27.480 -35.144 1.00 10.41 O -ATOM 111 N PRO A 16 48.547 -27.078 -37.091 1.00 9.86 N -ATOM 112 CA PRO A 16 48.777 -25.643 -36.995 1.00 9.53 C -ATOM 113 CB PRO A 16 47.917 -25.113 -38.134 1.00 9.63 C -ATOM 114 CG PRO A 16 47.995 -26.211 -39.167 1.00 10.57 C -ATOM 115 CD PRO A 16 47.822 -27.442 -38.317 1.00 10.19 C -ATOM 116 C PRO A 16 48.243 -25.109 -35.666 1.00 8.75 C -ATOM 117 O PRO A 16 47.200 -25.519 -35.251 1.00 8.43 O -ATOM 118 N PHE A 17 48.941 -24.157 -35.083 1.00 8.97 N -ATOM 119 CA PHE A 17 48.528 -23.610 -33.768 1.00 8.08 C -ATOM 120 CB PHE A 17 49.509 -22.519 -33.369 1.00 8.91 C -ATOM 121 CG PHE A 17 49.299 -22.033 -31.957 1.00 8.74 C -ATOM 122 CD1 PHE A 17 49.602 -22.849 -30.876 1.00 9.29 C -ATOM 123 CE1 PHE A 17 49.441 -22.371 -29.576 1.00 9.21 C -ATOM 124 CZ PHE A 17 48.982 -21.094 -29.335 1.00 9.14 C -ATOM 125 CD2 PHE A 17 48.817 -20.754 -31.707 1.00 9.59 C -ATOM 126 CE2 PHE A 17 48.684 -20.291 -30.408 1.00 9.24 C -ATOM 127 C PHE A 17 47.074 -23.128 -33.783 1.00 7.68 C -ATOM 128 O PHE A 17 46.360 -23.305 -32.806 1.00 8.29 O -ATOM 129 N ASN A 18 46.647 -22.498 -34.869 1.00 7.45 N -ATOM 130 CA ASN A 18 45.276 -21.964 -34.975 1.00 7.94 C -ATOM 131 CB ASN A 18 45.128 -21.042 -36.169 1.00 8.27 C -ATOM 132 CG ASN A 18 45.541 -21.690 -37.467 1.00 7.94 C -ATOM 133 OD1 ASN A 18 46.700 -22.073 -37.641 1.00 8.95 O -ATOM 134 ND2 ASN A 18 44.649 -21.730 -38.416 1.00 8.93 N -ATOM 135 C ASN A 18 44.255 -23.103 -35.069 1.00 8.57 C -ATOM 136 O ASN A 18 43.068 -22.826 -34.921 1.00 7.92 O -ATOM 137 N GLY A 19 44.696 -24.343 -35.350 1.00 7.78 N -ATOM 138 CA GLY A 19 43.764 -25.500 -35.381 1.00 8.84 C -ATOM 139 C GLY A 19 43.710 -26.243 -34.050 1.00 8.83 C -ATOM 140 O GLY A 19 43.123 -27.345 -33.998 1.00 9.51 O -ATOM 141 N ILE A 20 44.319 -25.687 -32.990 1.00 8.28 N -ATOM 142 CA ILE A 20 44.386 -26.370 -31.662 1.00 8.64 C -ATOM 143 CB ILE A 20 45.828 -26.438 -31.160 1.00 9.42 C -ATOM 144 CG1 ILE A 20 46.688 -27.149 -32.197 1.00 9.38 C -ATOM 145 CG2 ILE A 20 45.950 -27.104 -29.801 1.00 9.30 C -ATOM 146 CD1 ILE A 20 48.134 -27.166 -31.866 1.00 9.75 C -ATOM 147 C ILE A 20 43.467 -25.639 -30.693 1.00 8.70 C -ATOM 148 O ILE A 20 43.554 -24.383 -30.554 1.00 8.23 O -ATOM 149 N ALA A 21 42.680 -26.391 -29.962 1.00 8.48 N -ATOM 150 CA ALA A 21 41.840 -25.928 -28.852 1.00 8.18 C -ATOM 151 CB ALA A 21 40.524 -26.614 -28.870 1.00 8.62 C -ATOM 152 C ALA A 21 42.558 -26.221 -27.530 1.00 8.51 C -ATOM 153 O ALA A 21 43.157 -27.326 -27.355 1.00 8.47 O -ATOM 154 N GLN A 22 42.458 -25.278 -26.607 1.00 8.28 N -ATOM 155 CA GLN A 22 43.135 -25.384 -25.297 1.00 8.15 C -ATOM 156 CB GLN A 22 44.370 -24.488 -25.181 1.00 8.59 C -ATOM 157 CG GLN A 22 45.375 -24.708 -26.275 1.00 8.41 C -ATOM 158 CD GLN A 22 46.583 -23.850 -25.953 1.00 8.80 C -ATOM 159 OE1 GLN A 22 47.060 -23.811 -24.793 1.00 9.27 O -ATOM 160 NE2 GLN A 22 47.151 -23.224 -26.969 1.00 9.44 N -ATOM 161 C GLN A 22 42.187 -24.947 -24.201 1.00 7.44 C -ATOM 162 O GLN A 22 41.435 -23.949 -24.352 1.00 7.97 O -ATOM 163 N VAL A 23 42.356 -25.567 -23.051 1.00 7.73 N -ATOM 164 CA VAL A 23 41.923 -25.013 -21.748 1.00 7.32 C -ATOM 165 CB VAL A 23 41.777 -26.132 -20.711 1.00 8.22 C -ATOM 166 CG1 VAL A 23 41.501 -25.541 -19.325 1.00 8.59 C -ATOM 167 CG2 VAL A 23 40.728 -27.157 -21.151 1.00 9.20 C -ATOM 168 C VAL A 23 42.990 -23.999 -21.312 1.00 7.71 C -ATOM 169 O VAL A 23 44.197 -24.332 -21.317 1.00 8.01 O -ATOM 170 N ALA A 24 42.549 -22.786 -21.043 1.00 7.45 N -ATOM 171 CA ALA A 24 43.397 -21.695 -20.548 1.00 7.50 C -ATOM 172 CB ALA A 24 43.267 -20.476 -21.444 1.00 8.15 C -ATOM 173 C ALA A 24 42.977 -21.379 -19.133 1.00 7.24 C -ATOM 174 O ALA A 24 41.838 -21.627 -18.749 1.00 7.12 O -ATOM 175 N CYS A 25 43.879 -20.752 -18.389 1.00 8.18 N -ATOM 176 CA CYS A 25 43.477 -20.300 -17.048 1.00 7.94 C -ATOM 177 CB CYS A 25 44.680 -20.163 -16.134 1.00 8.51 C -ATOM 178 SG CYS A 25 45.480 -18.559 -16.215 1.00 10.67 S -ATOM 179 C CYS A 25 42.725 -18.993 -17.169 1.00 8.29 C -ATOM 180 O CYS A 25 42.785 -18.365 -18.219 1.00 12.40 O -ATOM 181 N HIS A 26 42.030 -18.566 -16.138 1.00 8.25 N -ATOM 182 CA HIS A 26 41.534 -17.192 -16.012 1.00 7.66 C -ATOM 183 CB HIS A 26 40.017 -17.190 -15.991 1.00 8.16 C -ATOM 184 CG HIS A 26 39.432 -15.823 -16.084 1.00 8.85 C -ATOM 185 ND1 HIS A 26 38.086 -15.639 -16.270 1.00 9.12 N -ATOM 186 CE1 HIS A 26 37.810 -14.352 -16.335 1.00 10.30 C -ATOM 187 NE2 HIS A 26 38.931 -13.663 -16.172 1.00 11.69 N -ATOM 188 CD2 HIS A 26 39.968 -14.575 -16.042 1.00 11.01 C -ATOM 189 C HIS A 26 42.128 -16.623 -14.732 1.00 6.90 C -ATOM 190 O HIS A 26 41.807 -17.095 -13.620 1.00 7.46 O -ATOM 191 N ASN A 27 43.025 -15.651 -14.855 1.00 6.81 N -ATOM 192 CA ASN A 27 43.588 -14.928 -13.678 1.00 7.97 C -ATOM 193 CB ASN A 27 42.515 -14.139 -12.940 1.00 9.64 C -ATOM 194 CG ASN A 27 42.052 -12.910 -13.693 1.00 10.96 C -ATOM 195 OD1 ASN A 27 42.547 -12.528 -14.757 1.00 9.74 O -ATOM 196 ND2 ASN A 27 40.937 -12.370 -13.203 1.00 16.46 N -ATOM 197 C ASN A 27 44.340 -15.915 -12.776 1.00 8.20 C -ATOM 198 O ASN A 27 44.321 -15.703 -11.535 1.00 9.48 O -ATOM 199 N CYS A 28 45.080 -16.876 -13.320 1.00 8.77 N -ATOM 200 CA CYS A 28 45.691 -17.907 -12.446 1.00 9.02 C -ATOM 201 CB CYS A 28 46.071 -19.157 -13.214 1.00 9.59 C -ATOM 202 SG CYS A 28 47.046 -18.871 -14.706 1.00 11.13 S -ATOM 203 C CYS A 28 46.929 -17.430 -11.701 1.00 8.94 C -ATOM 204 O CYS A 28 47.459 -18.243 -10.935 1.00 10.55 O -ATOM 205 N TYR A 29 47.295 -16.153 -11.822 1.00 9.19 N -ATOM 206 CA TYR A 29 48.264 -15.489 -10.907 1.00 8.72 C -ATOM 207 CB TYR A 29 48.708 -14.140 -11.493 1.00 8.58 C -ATOM 208 CG TYR A 29 47.618 -13.114 -11.497 1.00 8.98 C -ATOM 209 CD1 TYR A 29 47.392 -12.358 -10.364 1.00 9.12 C -ATOM 210 CE1 TYR A 29 46.337 -11.489 -10.309 1.00 9.12 C -ATOM 211 CZ TYR A 29 45.464 -11.371 -11.385 1.00 9.00 C -ATOM 212 OH TYR A 29 44.396 -10.513 -11.271 1.00 10.60 O -ATOM 213 CE2 TYR A 29 45.672 -12.108 -12.543 1.00 8.67 C -ATOM 214 CD2 TYR A 29 46.745 -12.977 -12.567 1.00 8.60 C -ATOM 215 C TYR A 29 47.661 -15.252 -9.521 1.00 9.74 C -ATOM 216 O TYR A 29 48.424 -15.007 -8.560 1.00 10.19 O -ATOM 217 N GLU A 30 46.370 -15.373 -9.347 1.00 9.08 N -ATOM 218 CA GLU A 30 45.733 -15.119 -8.034 1.00 9.69 C -ATOM 219 CB GLU A 30 44.259 -14.773 -8.108 1.00 9.67 C -ATOM 220 CG GLU A 30 43.985 -13.499 -8.853 1.00 9.67 C -ATOM 221 CD GLU A 30 42.526 -13.098 -8.762 1.00 10.70 C -ATOM 222 OE1 GLU A 30 42.041 -12.911 -7.614 1.00 12.24 O -ATOM 223 OE2 GLU A 30 41.888 -12.951 -9.805 1.00 11.78 O -ATOM 224 C GLU A 30 45.930 -16.345 -7.151 1.00 10.28 C -ATOM 225 O GLU A 30 45.795 -17.512 -7.585 1.00 10.06 O -ATOM 226 N LYS A 31 46.322 -16.088 -5.911 1.00 11.97 N -ATOM 227 CA LYS A 31 46.617 -17.166 -4.915 1.00 11.47 C -ATOM 228 CB LYS A 31 46.933 -16.556 -3.543 1.00 12.73 C -ATOM 229 CG LYS A 31 48.243 -15.799 -3.497 1.00 14.63 C -ATOM 230 CD LYS A 31 48.478 -15.162 -2.155 1.00 16.07 C -ATOM 231 CE LYS A 31 49.540 -14.085 -2.170 1.00 16.79 C -ATOM 232 NZ LYS A 31 49.796 -13.545 -0.817 1.00 18.65 N -ATOM 233 C LYS A 31 45.449 -18.150 -4.794 1.00 11.31 C -ATOM 234 O LYS A 31 45.708 -19.345 -4.586 1.00 13.07 O -ATOM 235 N GLN A 32 44.223 -17.669 -4.952 1.00 10.80 N -ATOM 236 CA GLN A 32 43.046 -18.543 -4.792 1.00 11.55 C -ATOM 237 CB GLN A 32 41.787 -17.687 -4.802 1.00 12.90 C -ATOM 238 CG GLN A 32 41.594 -16.850 -6.070 1.00 14.39 C -ATOM 239 CD GLN A 32 40.269 -16.137 -6.115 1.00 15.91 C -ATOM 240 OE1 GLN A 32 39.225 -16.715 -5.841 1.00 17.80 O -ATOM 241 NE2 GLN A 32 40.320 -14.868 -6.457 1.00 16.64 N -ATOM 242 C GLN A 32 42.925 -19.578 -5.924 1.00 12.07 C -ATOM 243 O GLN A 32 42.230 -20.577 -5.705 1.00 13.42 O -ATOM 244 N TYR A 33 43.604 -19.399 -7.063 1.00 11.59 N -ATOM 245 CA TYR A 33 43.431 -20.296 -8.236 1.00 11.10 C -ATOM 246 CB TYR A 33 43.189 -19.516 -9.534 1.00 11.52 C -ATOM 247 CG TYR A 33 42.020 -18.580 -9.478 1.00 11.55 C -ATOM 248 CD1 TYR A 33 40.756 -19.033 -9.143 1.00 11.24 C -ATOM 249 CE1 TYR A 33 39.686 -18.172 -9.078 1.00 12.81 C -ATOM 250 CZ TYR A 33 39.846 -16.842 -9.393 1.00 12.05 C -ATOM 251 OH TYR A 33 38.771 -16.009 -9.333 1.00 12.73 O -ATOM 252 CE2 TYR A 33 41.090 -16.389 -9.819 1.00 10.90 C -ATOM 253 CD2 TYR A 33 42.159 -17.259 -9.839 1.00 11.25 C -ATOM 254 C TYR A 33 44.582 -21.288 -8.376 1.00 11.18 C -ATOM 255 O TYR A 33 44.475 -22.303 -9.102 1.00 11.00 O -ATOM 256 N ALA A 34 45.697 -21.037 -7.717 1.00 11.68 N -ATOM 257 CA ALA A 34 46.877 -21.912 -7.835 1.00 11.68 C -ATOM 258 CB ALA A 34 47.566 -21.769 -9.168 1.00 12.26 C -ATOM 259 C ALA A 34 47.799 -21.561 -6.692 1.00 12.34 C -ATOM 260 O ALA A 34 47.963 -20.378 -6.377 1.00 13.09 O -ATOM 261 N ASN A 35 48.475 -22.562 -6.168 1.00 13.78 N -ATOM 262 CA ASN A 35 49.392 -22.342 -5.029 1.00 16.75 C -ATOM 263 CB ASN A 35 49.656 -23.669 -4.330 1.00 19.82 C -ATOM 264 CG ASN A 35 48.423 -24.100 -3.564 1.00 22.35 C -ATOM 265 OD1 ASN A 35 47.589 -23.270 -3.200 1.00 25.93 O -ATOM 266 ND2 ASN A 35 48.266 -25.394 -3.363 1.00 22.90 N -ATOM 267 C ASN A 35 50.608 -21.561 -5.515 1.00 14.15 C -ATOM 268 O ASN A 35 51.034 -20.630 -4.801 1.00 15.10 O -ATOM 269 N THR A 36 51.115 -21.856 -6.705 1.00 13.22 N -ATOM 270 CA THR A 36 52.221 -21.126 -7.336 1.00 11.48 C -ATOM 271 CB THR A 36 53.567 -21.858 -7.236 1.00 12.34 C -ATOM 272 OG1 THR A 36 53.424 -23.014 -8.056 1.00 13.55 O -ATOM 273 CG2 THR A 36 53.983 -22.240 -5.827 1.00 13.33 C -ATOM 274 C THR A 36 51.855 -20.893 -8.795 1.00 10.26 C -ATOM 275 O THR A 36 51.156 -21.728 -9.421 1.00 10.34 O -ATOM 276 N PHE A 37 52.366 -19.840 -9.362 1.00 9.96 N -ATOM 277 CA PHE A 37 52.137 -19.572 -10.798 1.00 9.90 C -ATOM 278 CB PHE A 37 52.738 -18.218 -11.160 1.00 9.26 C -ATOM 279 CG PHE A 37 52.270 -17.632 -12.472 1.00 9.37 C -ATOM 280 CD1 PHE A 37 50.923 -17.472 -12.741 1.00 9.68 C -ATOM 281 CE1 PHE A 37 50.510 -16.921 -13.949 1.00 10.27 C -ATOM 282 CZ PHE A 37 51.433 -16.538 -14.888 1.00 10.16 C -ATOM 283 CD2 PHE A 37 53.184 -17.256 -13.440 1.00 10.30 C -ATOM 284 CE2 PHE A 37 52.772 -16.706 -14.653 1.00 10.74 C -ATOM 285 C PHE A 37 52.717 -20.716 -11.636 1.00 10.18 C -ATOM 286 O PHE A 37 52.042 -21.181 -12.588 1.00 9.61 O -ATOM 287 N SER A 38 53.968 -21.113 -11.363 1.00 10.82 N -ATOM 288 CA SER A 38 54.628 -22.228 -12.094 1.00 12.51 C -ATOM 289 CB SER A 38 56.023 -22.524 -11.581 1.00 15.67 C -ATOM 290 OG SER A 38 55.985 -23.016 -10.267 1.00 21.56 O -ATOM 291 C SER A 38 53.773 -23.493 -12.061 1.00 11.29 C -ATOM 292 O SER A 38 53.783 -24.213 -13.051 1.00 11.49 O -ATOM 293 N SER A 39 53.054 -23.770 -10.981 1.00 10.87 N -ATOM 294 CA SER A 39 52.289 -25.033 -10.888 1.00 10.83 C -ATOM 295 CB SER A 39 51.710 -25.242 -9.533 1.00 11.34 C -ATOM 296 OG SER A 39 50.650 -24.352 -9.278 1.00 11.22 O -ATOM 297 C SER A 39 51.204 -25.068 -11.967 1.00 10.34 C -ATOM 298 O SER A 39 50.721 -26.178 -12.292 1.00 10.58 O -ATOM 299 N VAL A 40 50.776 -23.928 -12.475 1.00 9.76 N -ATOM 300 CA VAL A 40 49.667 -23.873 -13.462 1.00 9.86 C -ATOM 301 CB VAL A 40 49.292 -22.430 -13.818 1.00 9.64 C -ATOM 302 CG1 VAL A 40 48.244 -22.420 -14.930 1.00 9.38 C -ATOM 303 CG2 VAL A 40 48.775 -21.709 -12.595 1.00 10.75 C -ATOM 304 C VAL A 40 50.112 -24.693 -14.674 1.00 9.56 C -ATOM 305 O VAL A 40 49.270 -25.347 -15.328 1.00 9.53 O -ATOM 306 N LEU A 41 51.399 -24.651 -14.976 1.00 9.67 N -ATOM 307 CA LEU A 41 51.970 -25.356 -16.143 1.00 10.41 C -ATOM 308 CB LEU A 41 53.352 -24.799 -16.455 1.00 10.28 C -ATOM 309 CG LEU A 41 53.301 -23.402 -17.051 1.00 10.32 C -ATOM 310 CD1 LEU A 41 54.604 -22.666 -16.832 1.00 11.32 C -ATOM 311 CD2 LEU A 41 52.984 -23.459 -18.539 1.00 11.04 C -ATOM 312 C LEU A 41 51.980 -26.881 -15.927 1.00 10.29 C -ATOM 313 O LEU A 41 52.304 -27.619 -16.894 1.00 10.38 O -ATOM 314 N ASP A 42 51.597 -27.403 -14.750 1.00 10.71 N -ATOM 315 CA ASP A 42 51.334 -28.867 -14.625 1.00 11.76 C -ATOM 316 CB ASP A 42 51.321 -29.340 -13.176 1.00 13.00 C -ATOM 317 CG ASP A 42 52.545 -28.965 -12.382 1.00 13.41 C -ATOM 318 OD1 ASP A 42 53.616 -28.864 -12.955 1.00 14.26 O -ATOM 319 OD2 ASP A 42 52.367 -28.704 -11.162 1.00 18.65 O -ATOM 320 C ASP A 42 50.029 -29.243 -15.320 1.00 12.02 C -ATOM 321 O ASP A 42 49.821 -30.425 -15.581 1.00 12.45 O -ATOM 322 N SER A 43 49.167 -28.276 -15.637 1.00 10.66 N -ATOM 323 CA SER A 43 47.794 -28.542 -16.152 1.00 10.63 C -ATOM 324 CB SER A 43 46.775 -27.990 -15.221 1.00 10.70 C -ATOM 325 OG SER A 43 46.907 -28.606 -13.948 1.00 14.44 O -ATOM 326 C SER A 43 47.548 -27.984 -17.555 1.00 10.23 C -ATOM 327 O SER A 43 46.725 -28.564 -18.243 1.00 10.50 O -ATOM 328 N VAL A 44 48.072 -26.797 -17.867 1.00 9.39 N -ATOM 329 CA VAL A 44 47.733 -26.053 -19.116 1.00 8.90 C -ATOM 330 CB VAL A 44 46.574 -25.056 -18.903 1.00 8.57 C -ATOM 331 CG1 VAL A 44 45.274 -25.748 -18.523 1.00 9.27 C -ATOM 332 CG2 VAL A 44 46.952 -23.954 -17.911 1.00 9.08 C -ATOM 333 C VAL A 44 48.978 -25.357 -19.657 1.00 8.31 C -ATOM 334 O VAL A 44 50.028 -25.333 -19.013 1.00 9.48 O -ATOM 335 N ARG A 45 48.877 -24.816 -20.870 1.00 8.38 N -ATOM 336 CA ARG A 45 49.952 -24.095 -21.558 1.00 8.80 C -ATOM 337 CB ARG A 45 50.375 -24.857 -22.814 1.00 8.61 C -ATOM 338 CG ARG A 45 51.034 -26.194 -22.512 1.00 9.43 C -ATOM 339 CD ARG A 45 52.506 -26.068 -22.175 1.00 10.33 C -ATOM 340 NE ARG A 45 53.035 -27.358 -21.685 1.00 10.57 N -ATOM 341 CZ ARG A 45 52.921 -27.763 -20.439 1.00 10.60 C -ATOM 342 NH1 ARG A 45 52.246 -27.062 -19.531 1.00 10.85 N -ATOM 343 NH2 ARG A 45 53.406 -28.946 -20.100 1.00 11.72 N -ATOM 344 C ARG A 45 49.540 -22.662 -21.881 1.00 7.93 C -ATOM 345 O ARG A 45 50.308 -21.989 -22.558 1.00 9.30 O -ATOM 346 N THR A 46 48.419 -22.193 -21.351 1.00 7.95 N -ATOM 347 CA THR A 46 47.977 -20.801 -21.543 1.00 7.98 C -ATOM 348 CB THR A 46 46.824 -20.720 -22.557 1.00 8.07 C -ATOM 349 OG1 THR A 46 47.269 -21.237 -23.812 1.00 8.97 O -ATOM 350 CG2 THR A 46 46.403 -19.271 -22.747 1.00 8.04 C -ATOM 351 C THR A 46 47.613 -20.205 -20.185 1.00 7.29 C -ATOM 352 O THR A 46 46.740 -20.722 -19.491 1.00 7.74 O -ATOM 353 N LEU A 47 48.332 -19.144 -19.849 1.00 7.81 N -ATOM 354 CA LEU A 47 48.305 -18.499 -18.518 1.00 8.47 C -ATOM 355 CB LEU A 47 49.695 -18.600 -17.877 1.00 11.23 C -ATOM 356 CG LEU A 47 50.028 -19.931 -17.187 1.00 14.28 C -ATOM 357 CD1 LEU A 47 50.114 -21.098 -18.132 1.00 15.40 C -ATOM 358 CD2 LEU A 47 51.316 -19.806 -16.437 1.00 14.52 C -ATOM 359 C LEU A 47 47.898 -17.036 -18.654 1.00 8.67 C -ATOM 360 O LEU A 47 47.632 -16.583 -19.772 1.00 10.24 O -ATOM 361 N GLU A 48 47.746 -16.346 -17.524 1.00 7.90 N -ATOM 362 CA GLU A 48 47.260 -14.954 -17.523 1.00 7.67 C -ATOM 363 CB GLU A 48 45.741 -14.888 -17.406 1.00 7.57 C -ATOM 364 CG GLU A 48 45.191 -13.466 -17.448 1.00 7.26 C -ATOM 365 CD GLU A 48 43.687 -13.409 -17.625 1.00 8.12 C -ATOM 366 OE1 GLU A 48 43.010 -14.444 -17.451 1.00 8.48 O -ATOM 367 OE2 GLU A 48 43.192 -12.288 -17.936 1.00 10.21 O -ATOM 368 C GLU A 48 47.904 -14.183 -16.386 1.00 7.56 C -ATOM 369 O GLU A 48 48.005 -14.736 -15.241 1.00 8.33 O -ATOM 370 N LEU A 49 48.287 -12.942 -16.661 1.00 7.43 N -ATOM 371 CA LEU A 49 48.793 -11.993 -15.650 1.00 7.90 C -ATOM 372 CB LEU A 49 50.291 -11.788 -15.853 1.00 8.19 C -ATOM 373 CG LEU A 49 51.155 -12.980 -15.515 1.00 8.82 C -ATOM 374 CD1 LEU A 49 52.481 -12.866 -16.230 1.00 10.10 C -ATOM 375 CD2 LEU A 49 51.321 -13.130 -14.017 1.00 9.16 C -ATOM 376 C LEU A 49 48.063 -10.671 -15.831 1.00 8.03 C -ATOM 377 O LEU A 49 48.101 -10.121 -16.934 1.00 8.95 O -ATOM 378 N ASP A 50 47.490 -10.163 -14.750 1.00 7.63 N -ATOM 379 CA ASP A 50 46.940 -8.785 -14.763 1.00 8.19 C -ATOM 380 CB ASP A 50 45.719 -8.650 -13.848 1.00 9.16 C -ATOM 381 CG ASP A 50 44.471 -9.397 -14.301 1.00 9.45 C -ATOM 382 OD1 ASP A 50 44.432 -9.859 -15.448 1.00 12.07 O -ATOM 383 OD2 ASP A 50 43.502 -9.477 -13.498 1.00 11.08 O -ATOM 384 C ASP A 50 48.035 -7.833 -14.264 1.00 7.90 C -ATOM 385 O ASP A 50 48.568 -8.027 -13.167 1.00 8.95 O -ATOM 386 N PHE A 51 48.334 -6.779 -15.011 1.00 7.89 N -ATOM 387 CA PHE A 51 49.496 -5.952 -14.630 1.00 7.98 C -ATOM 388 CB PHE A 51 50.716 -6.261 -15.493 1.00 8.19 C -ATOM 389 CG PHE A 51 50.693 -5.815 -16.925 1.00 8.40 C -ATOM 390 CD1 PHE A 51 50.033 -6.529 -17.916 1.00 8.36 C -ATOM 391 CE1 PHE A 51 50.048 -6.091 -19.224 1.00 8.34 C -ATOM 392 CZ PHE A 51 50.760 -4.973 -19.586 1.00 8.58 C -ATOM 393 CD2 PHE A 51 51.365 -4.662 -17.295 1.00 8.98 C -ATOM 394 CE2 PHE A 51 51.424 -4.253 -18.611 1.00 8.43 C -ATOM 395 C PHE A 51 49.158 -4.474 -14.603 1.00 7.45 C -ATOM 396 O PHE A 51 48.447 -3.927 -15.458 1.00 8.37 O -ATOM 397 N TRP A 52 49.704 -3.841 -13.554 1.00 7.39 N -ATOM 398 CA TRP A 52 49.406 -2.451 -13.134 1.00 8.42 C -ATOM 399 CB TRP A 52 48.806 -2.411 -11.724 1.00 9.16 C -ATOM 400 CG TRP A 52 47.495 -3.134 -11.620 1.00 9.14 C -ATOM 401 CD1 TRP A 52 47.264 -4.474 -11.538 1.00 9.43 C -ATOM 402 NE1 TRP A 52 45.909 -4.697 -11.485 1.00 9.86 N -ATOM 403 CE2 TRP A 52 45.232 -3.525 -11.504 1.00 10.34 C -ATOM 404 CD2 TRP A 52 46.194 -2.517 -11.598 1.00 9.98 C -ATOM 405 CE3 TRP A 52 45.766 -1.202 -11.644 1.00 10.87 C -ATOM 406 CZ3 TRP A 52 44.415 -0.924 -11.624 1.00 12.24 C -ATOM 407 CH2 TRP A 52 43.479 -1.947 -11.573 1.00 12.27 C -ATOM 408 CZ2 TRP A 52 43.863 -3.261 -11.482 1.00 11.18 C -ATOM 409 C TRP A 52 50.695 -1.654 -13.200 1.00 8.93 C -ATOM 410 O TRP A 52 51.768 -2.148 -12.879 1.00 9.34 O -ATOM 411 N ASP A 53 50.576 -0.408 -13.650 1.00 9.25 N -ATOM 412 CA ASP A 53 51.706 0.545 -13.571 1.00 9.95 C -ATOM 413 CB ASP A 53 51.421 1.780 -14.418 1.00 9.38 C -ATOM 414 CG ASP A 53 51.578 1.518 -15.912 1.00 9.78 C -ATOM 415 OD1 ASP A 53 51.028 0.476 -16.423 1.00 9.91 O -ATOM 416 OD2 ASP A 53 52.260 2.311 -16.579 1.00 10.04 O -ATOM 417 C ASP A 53 52.002 0.976 -12.138 1.00 10.66 C -ATOM 418 O ASP A 53 53.181 1.186 -11.794 1.00 12.15 O -ATOM 419 N GLN A 54 50.960 1.144 -11.352 1.00 10.37 N -ATOM 420 CA GLN A 54 51.112 1.806 -10.040 1.00 11.54 C -ATOM 421 CB GLN A 54 50.143 2.994 -9.952 1.00 13.49 C -ATOM 422 CG GLN A 54 50.241 4.006 -11.086 1.00 18.10 C -ATOM 423 CD GLN A 54 51.131 5.144 -10.678 1.00 22.31 C -ATOM 424 OE1 GLN A 54 52.120 4.935 -9.979 1.00 24.08 O -ATOM 425 NE2 GLN A 54 50.780 6.370 -11.046 1.00 17.82 N -ATOM 426 C GLN A 54 50.807 0.806 -8.921 1.00 11.28 C -ATOM 427 O GLN A 54 50.161 -0.269 -9.160 1.00 11.18 O -ATOM 428 N ARG A 55 51.281 1.115 -7.727 1.00 10.30 N -ATOM 429 CA ARG A 55 51.093 0.250 -6.536 1.00 11.86 C -ATOM 430 CB ARG A 55 51.952 0.776 -5.381 1.00 12.28 C -ATOM 431 CG ARG A 55 51.858 -0.056 -4.109 1.00 13.86 C -ATOM 432 CD ARG A 55 52.796 0.496 -3.045 1.00 16.88 C -ATOM 433 NE ARG A 55 54.186 0.236 -3.408 1.00 23.03 N -ATOM 434 CZ ARG A 55 54.805 -0.972 -3.401 1.00 24.27 C -ATOM 435 NH1 ARG A 55 54.167 -2.085 -3.046 1.00 27.10 N -ATOM 436 NH2 ARG A 55 56.077 -1.063 -3.760 1.00 23.78 N -ATOM 437 C ARG A 55 49.627 0.260 -6.160 1.00 10.84 C -ATOM 438 O ARG A 55 49.112 -0.779 -5.660 1.00 11.86 O -ATOM 439 N ASP A 56 48.969 1.399 -6.333 1.00 13.31 N -ATOM 440 CA ASP A 56 47.498 1.517 -6.223 1.00 13.42 C -ATOM 441 CB ASP A 56 47.072 2.213 -4.916 1.00 14.16 C -ATOM 442 CG ASP A 56 47.594 3.635 -4.759 1.00 13.40 C -ATOM 443 OD1 ASP A 56 48.059 4.198 -5.756 1.00 13.37 O -ATOM 444 OD2 ASP A 56 47.506 4.168 -3.626 1.00 15.40 O -ATOM 445 C ASP A 56 47.023 2.160 -7.532 1.00 13.31 C -ATOM 446 O ASP A 56 47.738 1.972 -8.574 1.00 15.63 O -ATOM 447 N ALA A 57 45.879 2.830 -7.553 1.00 15.64 N -ATOM 448 CA ALA A 57 45.344 3.464 -8.781 1.00 16.57 C -ATOM 449 CB ALA A 57 43.866 3.743 -8.617 1.00 18.93 C -ATOM 450 C ALA A 57 46.142 4.731 -9.148 1.00 15.60 C -ATOM 451 O ALA A 57 46.050 5.167 -10.298 1.00 18.32 O -ATOM 452 N VAL A 58 46.905 5.343 -8.242 1.00 14.83 N -ATOM 453 CA VAL A 58 47.393 6.736 -8.472 1.00 14.41 C -ATOM 454 CB VAL A 58 46.499 7.750 -7.730 1.00 14.15 C -ATOM 455 CG1 VAL A 58 46.626 7.660 -6.228 1.00 14.61 C -ATOM 456 CG2 VAL A 58 46.721 9.190 -8.185 1.00 14.95 C -ATOM 457 C VAL A 58 48.854 6.905 -8.074 1.00 13.11 C -ATOM 458 O VAL A 58 49.363 8.044 -8.229 1.00 13.75 O -ATOM 459 N SER A 59 49.560 5.900 -7.572 1.00 12.34 N -ATOM 460 CA SER A 59 50.878 6.139 -6.928 1.00 11.82 C -ATOM 461 CB SER A 59 50.703 6.677 -5.528 1.00 12.19 C -ATOM 462 OG SER A 59 50.099 5.690 -4.703 1.00 12.80 O -ATOM 463 C SER A 59 51.725 4.879 -6.866 1.00 11.31 C -ATOM 464 O SER A 59 51.141 3.748 -6.901 1.00 12.07 O -ATOM 465 N GLY A 60 53.032 5.039 -6.773 1.00 10.65 N -ATOM 466 CA GLY A 60 53.994 3.978 -6.423 1.00 10.68 C -ATOM 467 C GLY A 60 54.586 3.263 -7.621 1.00 10.50 C -ATOM 468 O GLY A 60 55.288 2.252 -7.399 1.00 12.18 O -ATOM 469 N GLY A 61 54.385 3.737 -8.831 1.00 11.94 N -ATOM 470 CA GLY A 61 55.085 3.177 -9.997 1.00 12.73 C -ATOM 471 C GLY A 61 56.587 3.402 -9.951 1.00 13.81 C -ATOM 472 O GLY A 61 57.059 4.394 -9.272 1.00 13.84 O -ATOM 473 N SER A 62 57.363 2.587 -10.666 1.00 14.41 N -ATOM 474 CA SER A 62 58.802 2.821 -10.915 1.00 14.55 C -ATOM 475 CB SER A 62 59.670 2.021 -10.018 1.00 17.95 C -ATOM 476 OG SER A 62 59.357 0.661 -10.076 1.00 17.66 O -ATOM 477 C SER A 62 59.086 2.537 -12.384 1.00 13.88 C -ATOM 478 O SER A 62 58.330 1.805 -13.062 1.00 13.56 O -ATOM 479 N PRO A 63 60.177 3.074 -12.968 1.00 13.96 N -ATOM 480 CA PRO A 63 60.479 2.787 -14.363 1.00 14.06 C -ATOM 481 CB PRO A 63 61.739 3.595 -14.675 1.00 15.84 C -ATOM 482 CG PRO A 63 61.783 4.640 -13.571 1.00 16.51 C -ATOM 483 CD PRO A 63 61.156 3.985 -12.357 1.00 14.20 C -ATOM 484 C PRO A 63 60.755 1.306 -14.616 1.00 13.16 C -ATOM 485 O PRO A 63 61.354 0.645 -13.805 1.00 13.57 O -ATOM 486 N HIS A 64 60.324 0.811 -15.783 1.00 12.55 N -ATOM 487 CA HIS A 64 60.742 -0.520 -16.316 1.00 13.01 C -ATOM 488 CB HIS A 64 62.279 -0.593 -16.450 1.00 13.97 C -ATOM 489 CG HIS A 64 62.895 0.638 -17.025 1.00 15.83 C -ATOM 490 ND1 HIS A 64 63.998 1.256 -16.453 1.00 18.76 N -ATOM 491 CE1 HIS A 64 64.305 2.324 -17.161 1.00 18.22 C -ATOM 492 NE2 HIS A 64 63.461 2.435 -18.169 1.00 18.16 N -ATOM 493 CD2 HIS A 64 62.560 1.398 -18.084 1.00 17.88 C -ATOM 494 C HIS A 64 60.189 -1.659 -15.443 1.00 12.36 C -ATOM 495 O HIS A 64 60.682 -2.769 -15.540 1.00 15.73 O -ATOM 496 N HIS A 65 59.133 -1.368 -14.690 1.00 11.12 N -ATOM 497 CA HIS A 65 58.533 -2.285 -13.697 1.00 11.71 C -ATOM 498 CB HIS A 65 59.065 -1.886 -12.308 1.00 13.95 C -ATOM 499 CG HIS A 65 58.377 -2.488 -11.130 1.00 17.81 C -ATOM 500 ND1 HIS A 65 57.167 -2.022 -10.609 1.00 20.84 N -ATOM 501 CE1 HIS A 65 56.850 -2.746 -9.550 1.00 20.47 C -ATOM 502 NE2 HIS A 65 57.870 -3.608 -9.313 1.00 17.88 N -ATOM 503 CD2 HIS A 65 58.816 -3.439 -10.277 1.00 21.37 C -ATOM 504 C HIS A 65 57.021 -2.158 -13.769 1.00 10.19 C -ATOM 505 O HIS A 65 56.515 -1.058 -13.945 1.00 9.95 O -ATOM 506 N TRP A 66 56.336 -3.266 -13.553 1.00 9.08 N -ATOM 507 CA TRP A 66 54.875 -3.337 -13.359 1.00 8.92 C -ATOM 508 CB TRP A 66 54.167 -3.774 -14.641 1.00 8.72 C -ATOM 509 CG TRP A 66 54.232 -2.812 -15.790 1.00 8.70 C -ATOM 510 CD1 TRP A 66 53.254 -1.937 -16.145 1.00 8.76 C -ATOM 511 NE1 TRP A 66 53.635 -1.240 -17.256 1.00 9.25 N -ATOM 512 CE2 TRP A 66 54.882 -1.611 -17.628 1.00 9.33 C -ATOM 513 CD2 TRP A 66 55.305 -2.620 -16.738 1.00 9.71 C -ATOM 514 CE3 TRP A 66 56.563 -3.183 -16.924 1.00 9.13 C -ATOM 515 CZ3 TRP A 66 57.357 -2.729 -17.956 1.00 10.63 C -ATOM 516 CH2 TRP A 66 56.891 -1.757 -18.836 1.00 10.73 C -ATOM 517 CZ2 TRP A 66 55.661 -1.178 -18.696 1.00 10.22 C -ATOM 518 C TRP A 66 54.546 -4.303 -12.215 1.00 9.38 C -ATOM 519 O TRP A 66 55.329 -5.227 -11.956 1.00 9.67 O -ATOM 520 N PHE A 67 53.435 -4.038 -11.573 1.00 8.45 N -ATOM 521 CA PHE A 67 52.937 -4.886 -10.476 1.00 8.78 C -ATOM 522 CB PHE A 67 52.142 -4.016 -9.520 1.00 8.68 C -ATOM 523 CG PHE A 67 52.955 -2.984 -8.774 1.00 9.98 C -ATOM 524 CD1 PHE A 67 53.160 -1.720 -9.303 1.00 11.22 C -ATOM 525 CE1 PHE A 67 53.900 -0.771 -8.605 1.00 11.32 C -ATOM 526 CZ PHE A 67 54.437 -1.061 -7.362 1.00 11.56 C -ATOM 527 CD2 PHE A 67 53.564 -3.276 -7.554 1.00 11.98 C -ATOM 528 CE2 PHE A 67 54.304 -2.330 -6.846 1.00 12.01 C -ATOM 529 C PHE A 67 51.977 -5.942 -11.037 1.00 8.70 C -ATOM 530 O PHE A 67 51.368 -5.714 -12.134 1.00 9.01 O -ATOM 531 N VAL A 68 51.735 -7.018 -10.293 1.00 8.57 N -ATOM 532 CA VAL A 68 50.712 -8.021 -10.693 1.00 8.06 C -ATOM 533 CB VAL A 68 51.352 -9.342 -11.128 1.00 8.67 C -ATOM 534 CG1 VAL A 68 50.331 -10.465 -11.276 1.00 8.58 C -ATOM 535 CG2 VAL A 68 52.139 -9.173 -12.416 1.00 9.14 C -ATOM 536 C VAL A 68 49.790 -8.205 -9.513 1.00 8.94 C -ATOM 537 O VAL A 68 50.224 -8.644 -8.437 1.00 8.44 O -ATOM 538 N ARG A 69 48.523 -7.944 -9.742 1.00 7.66 N -ATOM 539 CA ARG A 69 47.429 -8.091 -8.769 1.00 9.00 C -ATOM 540 CB ARG A 69 47.476 -6.995 -7.692 1.00 8.41 C -ATOM 541 CG ARG A 69 47.249 -5.588 -8.227 1.00 8.49 C -ATOM 542 CD ARG A 69 47.264 -4.623 -7.037 1.00 9.11 C -ATOM 543 NE ARG A 69 47.021 -3.266 -7.506 1.00 9.76 N -ATOM 544 CZ ARG A 69 47.923 -2.465 -8.050 1.00 9.88 C -ATOM 545 NH1 ARG A 69 49.194 -2.797 -8.070 1.00 10.09 N -ATOM 546 NH2 ARG A 69 47.538 -1.290 -8.543 1.00 10.20 N -ATOM 547 C ARG A 69 46.116 -7.939 -9.526 1.00 9.14 C -ATOM 548 O ARG A 69 46.101 -7.457 -10.688 1.00 9.80 O -ATOM 549 N HIS A 70 45.028 -8.252 -8.851 1.00 9.68 N -ATOM 550 CA HIS A 70 43.686 -8.183 -9.450 1.00 12.16 C -ATOM 551 CB HIS A 70 42.772 -9.236 -8.835 1.00 12.16 C -ATOM 552 CG HIS A 70 41.462 -9.286 -9.537 1.00 15.86 C -ATOM 553 ND1 HIS A 70 40.245 -9.115 -8.908 1.00 19.13 N -ATOM 554 CE1 HIS A 70 39.277 -9.248 -9.786 1.00 19.06 C -ATOM 555 NE2 HIS A 70 39.817 -9.451 -10.967 1.00 21.24 N -ATOM 556 CD2 HIS A 70 41.180 -9.481 -10.835 1.00 19.66 C -ATOM 557 C HIS A 70 43.082 -6.791 -9.263 1.00 12.82 C -ATOM 558 O HIS A 70 42.600 -6.244 -10.227 1.00 15.49 O -ATOM 559 N ASN A 71 43.026 -6.272 -8.037 1.00 15.86 N -ATOM 560 CA ASN A 71 42.221 -5.044 -7.766 1.00 17.75 C -ATOM 561 CB ASN A 71 41.513 -5.156 -6.411 1.00 22.10 C -ATOM 562 CG ASN A 71 40.570 -6.342 -6.363 1.00 22.86 C -ATOM 563 OD1 ASN A 71 40.605 -7.134 -5.429 1.00 30.98 O -ATOM 564 ND2 ASN A 71 39.758 -6.502 -7.398 1.00 27.25 N -ATOM 565 C ASN A 71 43.071 -3.782 -7.881 1.00 14.88 C -ATOM 566 O ASN A 71 44.285 -3.856 -7.808 1.00 13.51 O -ATOM 567 N PRO A 72 42.463 -2.593 -8.100 1.00 14.22 N -ATOM 568 CA PRO A 72 43.226 -1.343 -8.191 1.00 15.34 C -ATOM 569 CB PRO A 72 42.190 -0.215 -8.356 1.00 16.29 C -ATOM 570 CG PRO A 72 40.887 -0.933 -8.700 1.00 16.69 C -ATOM 571 CD PRO A 72 41.021 -2.398 -8.299 1.00 15.32 C -ATOM 572 C PRO A 72 44.093 -1.057 -6.963 1.00 14.72 C -ATOM 573 O PRO A 72 45.176 -0.538 -7.163 1.00 14.63 O -ATOM 574 N GLY A 73 43.620 -1.447 -5.773 1.00 17.17 N -ATOM 575 CA GLY A 73 44.374 -1.320 -4.508 1.00 19.92 C -ATOM 576 C GLY A 73 44.140 0.022 -3.825 1.00 22.19 C -ATOM 577 O GLY A 73 44.853 0.265 -2.807 1.00 26.40 O -ATOM 578 N SER A 78 46.840 -4.105 -2.436 1.00 22.95 N -ATOM 579 CA SER A 78 47.625 -3.232 -3.353 1.00 22.79 C -ATOM 580 CB SER A 78 47.824 -1.868 -2.750 1.00 22.84 C -ATOM 581 OG SER A 78 48.525 -1.965 -1.516 1.00 26.46 O -ATOM 582 C SER A 78 48.969 -3.890 -3.721 1.00 21.11 C -ATOM 583 O SER A 78 49.267 -4.992 -3.218 1.00 23.36 O -ATOM 584 N GLY A 79 49.763 -3.230 -4.571 1.00 18.17 N -ATOM 585 CA GLY A 79 51.122 -3.645 -4.952 1.00 14.27 C -ATOM 586 C GLY A 79 51.085 -4.984 -5.665 1.00 12.08 C -ATOM 587 O GLY A 79 50.389 -5.092 -6.699 1.00 11.37 O -ATOM 588 N ASN A 80 51.804 -5.961 -5.145 1.00 10.95 N -ATOM 589 CA ASN A 80 51.837 -7.321 -5.731 1.00 10.86 C -ATOM 590 CB ASN A 80 53.253 -7.850 -5.864 1.00 11.29 C -ATOM 591 CG ASN A 80 54.048 -7.013 -6.842 1.00 11.84 C -ATOM 592 OD1 ASN A 80 53.584 -6.747 -7.971 1.00 11.21 O -ATOM 593 ND2 ASN A 80 55.254 -6.627 -6.456 1.00 12.33 N -ATOM 594 C ASN A 80 50.982 -8.244 -4.888 1.00 11.02 C -ATOM 595 O ASN A 80 51.192 -8.344 -3.647 1.00 12.01 O -ATOM 596 N ASP A 81 49.961 -8.853 -5.498 1.00 10.65 N -ATOM 597 CA ASP A 81 49.083 -9.830 -4.803 1.00 11.04 C -ATOM 598 CB ASP A 81 47.768 -9.171 -4.450 1.00 12.12 C -ATOM 599 CG ASP A 81 46.828 -10.060 -3.656 1.00 14.82 C -ATOM 600 OD1 ASP A 81 47.172 -11.237 -3.457 1.00 14.88 O -ATOM 601 OD2 ASP A 81 45.714 -9.592 -3.367 1.00 19.56 O -ATOM 602 C ASP A 81 48.916 -11.020 -5.743 1.00 10.53 C -ATOM 603 O ASP A 81 48.043 -10.958 -6.633 1.00 10.70 O -ATOM 604 N ASN A 82 49.807 -12.001 -5.658 1.00 9.69 N -ATOM 605 CA ASN A 82 49.863 -13.060 -6.692 1.00 9.39 C -ATOM 606 CB ASN A 82 50.458 -12.488 -7.992 1.00 9.29 C -ATOM 607 CG ASN A 82 51.919 -12.118 -7.850 1.00 8.80 C -ATOM 608 OD1 ASN A 82 52.762 -12.959 -7.534 1.00 10.23 O -ATOM 609 ND2 ASN A 82 52.199 -10.832 -8.037 1.00 10.40 N -ATOM 610 C ASN A 82 50.699 -14.220 -6.152 1.00 9.73 C -ATOM 611 O ASN A 82 51.265 -14.141 -5.004 1.00 10.23 O -ATOM 612 N ASN A 83 50.727 -15.332 -6.882 1.00 9.30 N -ATOM 613 CA ASN A 83 51.349 -16.600 -6.462 1.00 10.12 C -ATOM 614 CB ASN A 83 50.365 -17.740 -6.732 1.00 9.70 C -ATOM 615 CG ASN A 83 49.927 -17.790 -8.183 1.00 10.22 C -ATOM 616 OD1 ASN A 83 50.606 -17.263 -9.062 1.00 10.41 O -ATOM 617 ND2 ASN A 83 48.844 -18.505 -8.429 1.00 10.62 N -ATOM 618 C ASN A 83 52.684 -16.792 -7.166 1.00 10.16 C -ATOM 619 O ASN A 83 53.147 -17.936 -7.234 1.00 9.74 O -ATOM 620 N CYS A 84 53.275 -15.734 -7.735 1.00 9.79 N -ATOM 621 CA CYS A 84 54.613 -15.816 -8.366 1.00 10.44 C -ATOM 622 CB CYS A 84 54.813 -14.638 -9.312 1.00 9.89 C -ATOM 623 SG CYS A 84 53.501 -14.495 -10.548 1.00 10.32 S -ATOM 624 C CYS A 84 55.730 -15.813 -7.322 1.00 11.41 C -ATOM 625 O CYS A 84 55.526 -15.294 -6.250 1.00 13.47 O -ATOM 626 N THR A 85 56.881 -16.328 -7.686 1.00 13.24 N -ATOM 627 CA THR A 85 58.053 -16.282 -6.772 1.00 16.51 C -ATOM 628 CB THR A 85 59.083 -17.335 -7.177 1.00 19.73 C -ATOM 629 OG1 THR A 85 59.728 -16.889 -8.358 1.00 22.07 O -ATOM 630 CG2 THR A 85 58.473 -18.700 -7.420 1.00 20.59 C -ATOM 631 C THR A 85 58.637 -14.861 -6.728 1.00 18.01 C -ATOM 632 O THR A 85 58.399 -14.127 -7.687 1.00 23.10 O -ATOM 633 N LYS A 91 60.155 -9.561 -3.999 1.00 22.40 N -ATOM 634 CA LYS A 91 59.342 -8.696 -4.902 1.00 19.53 C -ATOM 635 CB LYS A 91 60.211 -7.555 -5.424 1.00 23.87 C -ATOM 636 CG LYS A 91 59.457 -6.520 -6.248 1.00 26.38 C -ATOM 637 CD LYS A 91 60.313 -5.350 -6.717 1.00 27.97 C -ATOM 638 CE LYS A 91 61.078 -5.622 -7.998 1.00 28.75 C -ATOM 639 NZ LYS A 91 62.457 -6.096 -7.721 1.00 32.46 N -ATOM 640 C LYS A 91 58.752 -9.523 -6.061 1.00 16.31 C -ATOM 641 O LYS A 91 59.441 -9.767 -7.069 1.00 17.58 O -ATOM 642 N ASN A 92 57.511 -9.953 -5.917 1.00 13.37 N -ATOM 643 CA ASN A 92 56.824 -10.823 -6.914 1.00 12.34 C -ATOM 644 CB ASN A 92 55.931 -11.856 -6.215 1.00 13.23 C -ATOM 645 CG ASN A 92 55.045 -11.240 -5.160 1.00 14.35 C -ATOM 646 OD1 ASN A 92 55.465 -10.310 -4.453 1.00 16.43 O -ATOM 647 ND2 ASN A 92 53.820 -11.708 -5.060 1.00 12.53 N -ATOM 648 C ASN A 92 56.070 -9.919 -7.903 1.00 11.66 C -ATOM 649 O ASN A 92 54.855 -9.865 -7.846 1.00 11.12 O -ATOM 650 N ASP A 93 56.792 -9.164 -8.708 1.00 10.60 N -ATOM 651 CA ASP A 93 56.197 -8.220 -9.680 1.00 10.92 C -ATOM 652 CB ASP A 93 57.074 -6.978 -9.731 1.00 11.13 C -ATOM 653 CG ASP A 93 58.438 -7.201 -10.317 1.00 11.86 C -ATOM 654 OD1 ASP A 93 58.847 -8.336 -10.463 1.00 12.88 O -ATOM 655 OD2 ASP A 93 59.101 -6.179 -10.616 1.00 15.13 O -ATOM 656 C ASP A 93 56.018 -8.885 -11.045 1.00 10.44 C -ATOM 657 O ASP A 93 56.180 -10.097 -11.157 1.00 11.68 O -ATOM 658 N LEU A 94 55.761 -8.089 -12.089 1.00 10.47 N -ATOM 659 CA LEU A 94 55.511 -8.695 -13.411 1.00 10.16 C -ATOM 660 CB LEU A 94 55.136 -7.607 -14.421 1.00 9.78 C -ATOM 661 CG LEU A 94 55.001 -8.094 -15.864 1.00 10.03 C -ATOM 662 CD1 LEU A 94 53.918 -9.140 -15.964 1.00 10.74 C -ATOM 663 CD2 LEU A 94 54.729 -6.949 -16.811 1.00 9.33 C -ATOM 664 C LEU A 94 56.759 -9.445 -13.855 1.00 9.86 C -ATOM 665 O LEU A 94 56.649 -10.587 -14.306 1.00 9.57 O -ATOM 666 N GLU A 95 57.942 -8.816 -13.726 1.00 10.18 N -ATOM 667 CA GLU A 95 59.191 -9.464 -14.179 1.00 10.82 C -ATOM 668 CB GLU A 95 60.353 -8.506 -13.942 1.00 12.25 C -ATOM 669 CG GLU A 95 61.682 -9.126 -14.333 1.00 13.52 C -ATOM 670 CD GLU A 95 62.849 -8.156 -14.369 1.00 14.91 C -ATOM 671 OE1 GLU A 95 62.620 -6.965 -14.342 1.00 16.95 O -ATOM 672 OE2 GLU A 95 64.006 -8.645 -14.455 1.00 18.28 O -ATOM 673 C GLU A 95 59.385 -10.815 -13.472 1.00 10.37 C -ATOM 674 O GLU A 95 59.775 -11.757 -14.107 1.00 11.34 O -ATOM 675 N ALA A 96 59.130 -10.868 -12.175 1.00 10.98 N -ATOM 676 CA ALA A 96 59.243 -12.110 -11.395 1.00 11.17 C -ATOM 677 CB ALA A 96 58.933 -11.796 -9.964 1.00 10.94 C -ATOM 678 C ALA A 96 58.284 -13.166 -11.969 1.00 11.08 C -ATOM 679 O ALA A 96 58.692 -14.357 -12.128 1.00 11.77 O -ATOM 680 N CYS A 97 57.046 -12.771 -12.264 1.00 10.31 N -ATOM 681 CA CYS A 97 56.039 -13.716 -12.799 1.00 10.61 C -ATOM 682 CB CYS A 97 54.658 -13.094 -12.915 1.00 10.30 C -ATOM 683 SG CYS A 97 53.874 -12.686 -11.335 1.00 10.68 S -ATOM 684 C CYS A 97 56.496 -14.217 -14.175 1.00 10.88 C -ATOM 685 O CYS A 97 56.386 -15.396 -14.474 1.00 10.81 O -ATOM 686 N LEU A 98 57.016 -13.326 -15.007 1.00 10.43 N -ATOM 687 CA LEU A 98 57.492 -13.764 -16.341 1.00 11.14 C -ATOM 688 CB LEU A 98 57.905 -12.536 -17.154 1.00 10.97 C -ATOM 689 CG LEU A 98 56.791 -11.549 -17.454 1.00 11.59 C -ATOM 690 CD1 LEU A 98 57.360 -10.347 -18.179 1.00 12.66 C -ATOM 691 CD2 LEU A 98 55.691 -12.220 -18.231 1.00 11.32 C -ATOM 692 C LEU A 98 58.690 -14.696 -16.175 1.00 11.85 C -ATOM 693 O LEU A 98 58.793 -15.691 -16.900 1.00 11.93 O -ATOM 694 N ASN A 99 59.548 -14.424 -15.204 1.00 12.19 N -ATOM 695 CA ASN A 99 60.727 -15.287 -14.948 1.00 13.55 C -ATOM 696 CB ASN A 99 61.680 -14.642 -13.947 1.00 14.68 C -ATOM 697 CG ASN A 99 62.677 -13.769 -14.672 1.00 16.44 C -ATOM 698 OD1 ASN A 99 63.239 -14.205 -15.672 1.00 19.95 O -ATOM 699 ND2 ASN A 99 62.898 -12.568 -14.173 1.00 21.22 N -ATOM 700 C ASN A 99 60.296 -16.680 -14.483 1.00 13.30 C -ATOM 701 O ASN A 99 61.006 -17.656 -14.838 1.00 14.25 O -ATOM 702 N ASP A 100 59.179 -16.807 -13.770 1.00 11.94 N -ATOM 703 CA ASP A 100 58.680 -18.153 -13.384 1.00 13.70 C -ATOM 704 CB ASP A 100 57.397 -18.070 -12.532 1.00 14.15 C -ATOM 705 CG ASP A 100 57.641 -17.676 -11.082 1.00 14.38 C -ATOM 706 OD1 ASP A 100 58.806 -17.797 -10.646 1.00 17.71 O -ATOM 707 OD2 ASP A 100 56.687 -17.343 -10.373 1.00 13.56 O -ATOM 708 C ASP A 100 58.414 -18.924 -14.674 1.00 13.54 C -ATOM 709 O ASP A 100 58.677 -20.148 -14.730 1.00 13.94 O -ATOM 710 N VAL A 101 57.798 -18.279 -15.670 1.00 13.71 N -ATOM 711 CA VAL A 101 57.471 -18.971 -16.951 1.00 12.42 C -ATOM 712 CB VAL A 101 56.507 -18.143 -17.816 1.00 12.10 C -ATOM 713 CG1 VAL A 101 56.225 -18.855 -19.136 1.00 12.55 C -ATOM 714 CG2 VAL A 101 55.226 -17.834 -17.043 1.00 12.08 C -ATOM 715 C VAL A 101 58.779 -19.312 -17.654 1.00 11.75 C -ATOM 716 O VAL A 101 58.919 -20.413 -18.167 1.00 11.84 O -ATOM 717 N LYS A 102 59.677 -18.358 -17.756 1.00 11.64 N -ATOM 718 CA LYS A 102 60.964 -18.557 -18.456 1.00 12.42 C -ATOM 719 CB LYS A 102 61.749 -17.255 -18.359 1.00 13.93 C -ATOM 720 CG LYS A 102 62.948 -17.183 -19.271 1.00 16.43 C -ATOM 721 CD LYS A 102 64.227 -17.700 -18.651 1.00 18.82 C -ATOM 722 CE LYS A 102 65.388 -17.501 -19.601 1.00 20.90 C -ATOM 723 NZ LYS A 102 66.639 -18.052 -19.049 1.00 20.52 N -ATOM 724 C LYS A 102 61.718 -19.734 -17.813 1.00 13.38 C -ATOM 725 O LYS A 102 62.235 -20.590 -18.568 1.00 14.13 O -ATOM 726 N ASN A 103 61.728 -19.818 -16.477 1.00 13.41 N -ATOM 727 CA ASN A 103 62.442 -20.901 -15.745 1.00 15.41 C -ATOM 728 CB ASN A 103 62.535 -20.628 -14.247 1.00 16.32 C -ATOM 729 CG ASN A 103 63.422 -19.444 -13.919 1.00 17.97 C -ATOM 730 OD1 ASN A 103 64.312 -19.084 -14.683 1.00 21.50 O -ATOM 731 ND2 ASN A 103 63.182 -18.826 -12.782 1.00 19.84 N -ATOM 732 C ASN A 103 61.748 -22.238 -15.992 1.00 16.12 C -ATOM 733 O ASN A 103 62.483 -23.209 -16.241 1.00 16.25 O -ATOM 734 N TRP A 104 60.413 -22.326 -15.947 1.00 13.67 N -ATOM 735 CA TRP A 104 59.700 -23.575 -16.296 1.00 14.13 C -ATOM 736 CB TRP A 104 58.191 -23.379 -16.178 1.00 12.79 C -ATOM 737 CG TRP A 104 57.444 -24.661 -16.351 1.00 12.75 C -ATOM 738 CD1 TRP A 104 57.024 -25.536 -15.385 1.00 12.86 C -ATOM 739 NE1 TRP A 104 56.378 -26.601 -15.946 1.00 13.48 N -ATOM 740 CE2 TRP A 104 56.423 -26.465 -17.312 1.00 12.30 C -ATOM 741 CD2 TRP A 104 57.059 -25.240 -17.605 1.00 11.97 C -ATOM 742 CE3 TRP A 104 57.229 -24.858 -18.934 1.00 12.10 C -ATOM 743 CZ3 TRP A 104 56.761 -25.692 -19.912 1.00 11.88 C -ATOM 744 CH2 TRP A 104 56.111 -26.877 -19.607 1.00 11.91 C -ATOM 745 CZ2 TRP A 104 55.938 -27.301 -18.313 1.00 12.48 C -ATOM 746 C TRP A 104 60.095 -23.980 -17.715 1.00 13.75 C -ATOM 747 O TRP A 104 60.358 -25.183 -17.940 1.00 14.72 O -ATOM 748 N SER A 105 60.105 -23.037 -18.662 1.00 13.27 N -ATOM 749 CA SER A 105 60.435 -23.299 -20.085 1.00 14.08 C -ATOM 750 CB SER A 105 60.331 -22.047 -20.907 1.00 13.64 C -ATOM 751 OG SER A 105 60.920 -22.247 -22.167 1.00 13.23 O -ATOM 752 C SER A 105 61.834 -23.921 -20.180 1.00 14.19 C -ATOM 753 O SER A 105 61.968 -24.961 -20.853 1.00 13.45 O -ATOM 754 N ASP A 106 62.827 -23.334 -19.513 1.00 14.83 N -ATOM 755 CA ASP A 106 64.212 -23.880 -19.532 1.00 15.19 C -ATOM 756 CB ASP A 106 65.169 -23.041 -18.705 1.00 16.67 C -ATOM 757 CG ASP A 106 65.500 -21.682 -19.274 1.00 17.32 C -ATOM 758 OD1 ASP A 106 65.281 -21.452 -20.486 1.00 18.20 O -ATOM 759 OD2 ASP A 106 66.024 -20.868 -18.496 1.00 19.87 O -ATOM 760 C ASP A 106 64.256 -25.307 -18.984 1.00 15.86 C -ATOM 761 O ASP A 106 65.058 -26.081 -19.500 1.00 16.91 O -ATOM 762 N LYS A 107 63.438 -25.645 -18.001 1.00 15.62 N -ATOM 763 CA LYS A 107 63.449 -26.980 -17.356 1.00 17.74 C -ATOM 764 CB LYS A 107 62.901 -26.871 -15.933 1.00 19.28 C -ATOM 765 CG LYS A 107 63.855 -26.278 -14.909 1.00 23.96 C -ATOM 766 CD LYS A 107 63.199 -26.218 -13.542 1.00 27.43 C -ATOM 767 CE LYS A 107 64.013 -25.497 -12.492 1.00 31.03 C -ATOM 768 NZ LYS A 107 65.014 -26.414 -11.905 1.00 34.39 N -ATOM 769 C LYS A 107 62.602 -27.993 -18.133 1.00 17.32 C -ATOM 770 O LYS A 107 62.673 -29.180 -17.799 1.00 18.51 O -ATOM 771 N HIS A 108 61.877 -27.571 -19.173 1.00 16.49 N -ATOM 772 CA HIS A 108 61.074 -28.478 -20.043 1.00 16.34 C -ATOM 773 CB HIS A 108 59.587 -28.316 -19.731 1.00 16.42 C -ATOM 774 CG HIS A 108 59.266 -28.655 -18.314 1.00 16.95 C -ATOM 775 ND1 HIS A 108 59.459 -27.748 -17.290 1.00 15.82 N -ATOM 776 CE1 HIS A 108 59.117 -28.304 -16.140 1.00 16.96 C -ATOM 777 NE2 HIS A 108 58.715 -29.568 -16.398 1.00 16.89 N -ATOM 778 CD2 HIS A 108 58.788 -29.788 -17.751 1.00 17.47 C -ATOM 779 C HIS A 108 61.376 -28.199 -21.504 1.00 17.39 C -ATOM 780 O HIS A 108 60.519 -27.790 -22.284 1.00 16.10 O -ATOM 781 N PRO A 109 62.611 -28.462 -21.966 1.00 19.23 N -ATOM 782 CA PRO A 109 62.884 -28.402 -23.396 1.00 19.35 C -ATOM 783 CB PRO A 109 64.338 -28.894 -23.480 1.00 19.90 C -ATOM 784 CG PRO A 109 64.557 -29.686 -22.212 1.00 21.68 C -ATOM 785 CD PRO A 109 63.756 -28.944 -21.165 1.00 19.93 C -ATOM 786 C PRO A 109 61.879 -29.263 -24.187 1.00 18.12 C -ATOM 787 O PRO A 109 61.427 -30.307 -23.727 1.00 20.89 O -ATOM 788 N GLY A 110 61.433 -28.731 -25.317 1.00 19.54 N -ATOM 789 CA GLY A 110 60.479 -29.425 -26.189 1.00 17.03 C -ATOM 790 C GLY A 110 59.037 -29.188 -25.780 1.00 15.90 C -ATOM 791 O GLY A 110 58.155 -29.858 -26.331 1.00 16.12 O -ATOM 792 N HIS A 111 58.776 -28.230 -24.882 1.00 14.24 N -ATOM 793 CA HIS A 111 57.392 -27.977 -24.426 1.00 12.68 C -ATOM 794 CB HIS A 111 57.337 -27.047 -23.202 1.00 12.71 C -ATOM 795 CG HIS A 111 57.872 -25.672 -23.412 1.00 11.87 C -ATOM 796 ND1 HIS A 111 57.132 -24.673 -24.043 1.00 11.64 N -ATOM 797 CE1 HIS A 111 57.827 -23.559 -24.017 1.00 10.95 C -ATOM 798 NE2 HIS A 111 59.037 -23.785 -23.424 1.00 12.27 N -ATOM 799 CD2 HIS A 111 59.017 -25.091 -23.004 1.00 12.34 C -ATOM 800 C HIS A 111 56.533 -27.444 -25.572 1.00 10.62 C -ATOM 801 O HIS A 111 56.988 -26.691 -26.439 1.00 11.58 O -ATOM 802 N PHE A 112 55.287 -27.778 -25.462 1.00 10.92 N -ATOM 803 CA PHE A 112 54.228 -27.194 -26.288 1.00 10.37 C -ATOM 804 CB PHE A 112 52.920 -27.816 -25.835 1.00 10.75 C -ATOM 805 CG PHE A 112 51.716 -27.353 -26.596 1.00 11.00 C -ATOM 806 CD1 PHE A 112 51.088 -26.160 -26.297 1.00 9.67 C -ATOM 807 CE1 PHE A 112 49.999 -25.719 -27.048 1.00 10.47 C -ATOM 808 CZ PHE A 112 49.526 -26.496 -28.089 1.00 11.46 C -ATOM 809 CD2 PHE A 112 51.199 -28.128 -27.610 1.00 11.87 C -ATOM 810 CE2 PHE A 112 50.119 -27.705 -28.358 1.00 11.62 C -ATOM 811 C PHE A 112 54.272 -25.689 -26.067 1.00 10.07 C -ATOM 812 O PHE A 112 54.551 -25.218 -24.953 1.00 10.64 O -ATOM 813 N PRO A 113 54.036 -24.852 -27.084 1.00 10.14 N -ATOM 814 CA PRO A 113 54.222 -23.419 -26.930 1.00 9.76 C -ATOM 815 CB PRO A 113 53.834 -22.862 -28.310 1.00 10.07 C -ATOM 816 CG PRO A 113 52.941 -23.955 -28.886 1.00 9.15 C -ATOM 817 CD PRO A 113 53.682 -25.201 -28.460 1.00 8.81 C -ATOM 818 C PRO A 113 53.333 -22.864 -25.814 1.00 8.55 C -ATOM 819 O PRO A 113 52.187 -23.287 -25.674 1.00 8.82 O -ATOM 820 N ILE A 114 53.929 -21.975 -25.035 1.00 8.87 N -ATOM 821 CA ILE A 114 53.209 -21.315 -23.931 1.00 8.29 C -ATOM 822 CB ILE A 114 54.155 -21.126 -22.737 1.00 9.46 C -ATOM 823 CG1 ILE A 114 54.572 -22.470 -22.154 1.00 10.80 C -ATOM 824 CG2 ILE A 114 53.508 -20.241 -21.695 1.00 9.37 C -ATOM 825 CD1 ILE A 114 55.754 -22.390 -21.213 1.00 12.02 C -ATOM 826 C ILE A 114 52.644 -19.989 -24.421 1.00 7.77 C -ATOM 827 O ILE A 114 53.385 -19.199 -24.993 1.00 9.24 O -ATOM 828 N THR A 115 51.391 -19.760 -24.082 1.00 7.31 N -ATOM 829 CA THR A 115 50.742 -18.465 -24.382 1.00 7.20 C -ATOM 830 CB THR A 115 49.475 -18.662 -25.211 1.00 7.79 C -ATOM 831 OG1 THR A 115 49.804 -19.327 -26.424 1.00 8.47 O -ATOM 832 CG2 THR A 115 48.849 -17.352 -25.605 1.00 8.73 C -ATOM 833 C THR A 115 50.457 -17.736 -23.074 1.00 7.14 C -ATOM 834 O THR A 115 49.834 -18.293 -22.186 1.00 7.88 O -ATOM 835 N LEU A 116 50.951 -16.519 -22.967 1.00 6.95 N -ATOM 836 CA LEU A 116 50.723 -15.682 -21.757 1.00 7.43 C -ATOM 837 CB LEU A 116 52.037 -15.154 -21.205 1.00 9.51 C -ATOM 838 CG LEU A 116 53.083 -16.135 -20.728 1.00 11.21 C -ATOM 839 CD1 LEU A 116 54.226 -15.364 -20.054 1.00 10.84 C -ATOM 840 CD2 LEU A 116 52.452 -17.159 -19.787 1.00 11.68 C -ATOM 841 C LEU A 116 49.840 -14.508 -22.133 1.00 7.24 C -ATOM 842 O LEU A 116 50.233 -13.668 -22.924 1.00 7.67 O -ATOM 843 N ILE A 117 48.686 -14.455 -21.515 1.00 6.56 N -ATOM 844 CA ILE A 117 47.745 -13.336 -21.696 1.00 6.98 C -ATOM 845 CB ILE A 117 46.306 -13.810 -21.471 1.00 8.20 C -ATOM 846 CG1 ILE A 117 45.981 -15.078 -22.279 1.00 9.25 C -ATOM 847 CG2 ILE A 117 45.278 -12.673 -21.597 1.00 9.49 C -ATOM 848 CD1 ILE A 117 46.026 -14.939 -23.813 1.00 8.79 C -ATOM 849 C ILE A 117 48.126 -12.261 -20.683 1.00 6.83 C -ATOM 850 O ILE A 117 48.074 -12.511 -19.478 1.00 8.06 O -ATOM 851 N LEU A 118 48.544 -11.117 -21.178 1.00 6.75 N -ATOM 852 CA LEU A 118 49.035 -9.977 -20.373 1.00 6.82 C -ATOM 853 CB LEU A 118 50.370 -9.464 -20.905 1.00 7.74 C -ATOM 854 CG LEU A 118 51.429 -10.552 -21.028 1.00 8.81 C -ATOM 855 CD1 LEU A 118 52.677 -9.943 -21.582 1.00 10.00 C -ATOM 856 CD2 LEU A 118 51.708 -11.238 -19.694 1.00 10.02 C -ATOM 857 C LEU A 118 47.909 -8.949 -20.388 1.00 6.69 C -ATOM 858 O LEU A 118 47.748 -8.228 -21.375 1.00 7.22 O -ATOM 859 N ASP A 119 47.115 -8.941 -19.339 1.00 7.13 N -ATOM 860 CA ASP A 119 45.899 -8.141 -19.229 1.00 6.94 C -ATOM 861 CB ASP A 119 44.830 -8.932 -18.499 1.00 7.98 C -ATOM 862 CG ASP A 119 43.468 -8.300 -18.484 1.00 9.95 C -ATOM 863 OD1 ASP A 119 43.297 -7.347 -19.292 1.00 10.85 O -ATOM 864 OD2 ASP A 119 42.554 -8.836 -17.796 1.00 11.27 O -ATOM 865 C ASP A 119 46.299 -6.832 -18.542 1.00 7.07 C -ATOM 866 O ASP A 119 46.440 -6.783 -17.299 1.00 7.50 O -ATOM 867 N LYS A 120 46.482 -5.814 -19.361 1.00 7.26 N -ATOM 868 CA LYS A 120 46.979 -4.509 -18.897 1.00 7.79 C -ATOM 869 CB LYS A 120 47.518 -3.719 -20.077 1.00 7.46 C -ATOM 870 CG LYS A 120 48.257 -2.471 -19.634 1.00 7.89 C -ATOM 871 CD LYS A 120 48.867 -1.723 -20.785 1.00 9.53 C -ATOM 872 CE LYS A 120 50.072 -0.879 -20.395 1.00 11.37 C -ATOM 873 NZ LYS A 120 49.917 -0.115 -19.133 1.00 9.63 N -ATOM 874 C LYS A 120 45.835 -3.750 -18.229 1.00 7.30 C -ATOM 875 O LYS A 120 44.756 -3.651 -18.791 1.00 8.25 O -ATOM 876 N LYS A 121 46.087 -3.174 -17.046 1.00 7.94 N -ATOM 877 CA LYS A 121 44.983 -2.562 -16.266 1.00 8.49 C -ATOM 878 CB LYS A 121 44.978 -3.155 -14.858 1.00 9.07 C -ATOM 879 CG LYS A 121 44.663 -4.628 -14.852 1.00 9.48 C -ATOM 880 CD LYS A 121 43.301 -4.965 -15.314 1.00 11.49 C -ATOM 881 CE LYS A 121 43.132 -6.451 -15.558 1.00 13.70 C -ATOM 882 NZ LYS A 121 41.795 -6.789 -16.088 1.00 14.59 N -ATOM 883 C LYS A 121 45.014 -1.042 -16.240 1.00 9.46 C -ATOM 884 O LYS A 121 44.007 -0.475 -15.793 1.00 10.13 O -ATOM 885 N GLN A 122 46.092 -0.412 -16.643 1.00 9.12 N -ATOM 886 CA GLN A 122 46.220 1.068 -16.671 1.00 9.82 C -ATOM 887 CB GLN A 122 47.144 1.542 -15.558 1.00 10.84 C -ATOM 888 CG GLN A 122 46.499 1.340 -14.206 1.00 11.57 C -ATOM 889 CD GLN A 122 47.389 1.793 -13.085 1.00 12.61 C -ATOM 890 OE1 GLN A 122 48.438 1.243 -12.841 1.00 11.03 O -ATOM 891 NE2 GLN A 122 47.089 2.958 -12.530 1.00 15.16 N -ATOM 892 C GLN A 122 46.742 1.447 -18.050 1.00 10.53 C -ATOM 893 O GLN A 122 46.993 0.557 -18.896 1.00 11.60 O -ATOM 894 N GLY A 123 46.888 2.745 -18.310 1.00 11.01 N -ATOM 895 CA GLY A 123 47.381 3.237 -19.602 1.00 11.42 C -ATOM 896 C GLY A 123 48.876 3.125 -19.732 1.00 10.84 C -ATOM 897 O GLY A 123 49.568 2.782 -18.761 1.00 11.36 O -ATOM 898 N TRP A 124 49.395 3.457 -20.908 1.00 10.65 N -ATOM 899 CA TRP A 124 50.839 3.561 -21.149 1.00 10.03 C -ATOM 900 CB TRP A 124 51.129 3.588 -22.650 1.00 10.09 C -ATOM 901 CG TRP A 124 50.722 2.317 -23.325 1.00 9.49 C -ATOM 902 CD1 TRP A 124 49.673 2.124 -24.173 1.00 9.69 C -ATOM 903 NE1 TRP A 124 49.583 0.794 -24.523 1.00 8.90 N -ATOM 904 CE2 TRP A 124 50.614 0.120 -23.943 1.00 8.41 C -ATOM 905 CD2 TRP A 124 51.356 1.048 -23.178 1.00 9.12 C -ATOM 906 CE3 TRP A 124 52.475 0.609 -22.470 1.00 9.64 C -ATOM 907 CZ3 TRP A 124 52.808 -0.723 -22.527 1.00 9.89 C -ATOM 908 CH2 TRP A 124 52.071 -1.632 -23.289 1.00 9.09 C -ATOM 909 CZ2 TRP A 124 50.949 -1.230 -23.978 1.00 8.51 C -ATOM 910 C TRP A 124 51.361 4.837 -20.480 1.00 11.62 C -ATOM 911 O TRP A 124 50.655 5.836 -20.443 1.00 13.05 O -ATOM 912 N SER A 125 52.578 4.815 -20.012 1.00 11.45 N -ATOM 913 CA SER A 125 53.253 6.070 -19.579 1.00 12.06 C -ATOM 914 CB SER A 125 54.316 5.814 -18.533 1.00 11.89 C -ATOM 915 OG SER A 125 55.560 5.388 -19.084 1.00 12.08 O -ATOM 916 C SER A 125 53.874 6.739 -20.793 1.00 13.84 C -ATOM 917 O SER A 125 54.034 6.072 -21.833 1.00 12.95 O -ATOM 918 N LYS A 126 54.374 7.967 -20.597 1.00 14.50 N -ATOM 919 CA LYS A 126 55.320 8.642 -21.533 1.00 17.06 C -ATOM 920 CB LYS A 126 55.178 10.162 -21.454 1.00 19.29 C -ATOM 921 CG LYS A 126 53.762 10.668 -21.647 1.00 22.99 C -ATOM 922 CD LYS A 126 53.227 10.405 -23.024 1.00 26.31 C -ATOM 923 CE LYS A 126 51.862 11.036 -23.234 1.00 29.82 C -ATOM 924 NZ LYS A 126 51.401 10.853 -24.630 1.00 32.30 N -ATOM 925 C LYS A 126 56.756 8.213 -21.224 1.00 16.04 C -ATOM 926 O LYS A 126 56.976 7.475 -20.234 1.00 13.66 O -ATOM 927 N GLU A 127 57.716 8.632 -22.058 1.00 18.51 N -ATOM 928 CA GLU A 127 59.121 8.146 -22.018 1.00 20.55 C -ATOM 929 CB GLU A 127 60.037 8.866 -23.019 1.00 25.80 C -ATOM 930 CG GLU A 127 60.111 8.213 -24.390 1.00 32.24 C -ATOM 931 CD GLU A 127 58.828 8.189 -25.204 1.00 36.04 C -ATOM 932 OE1 GLU A 127 57.877 8.931 -24.853 1.00 41.47 O -ATOM 933 OE2 GLU A 127 58.788 7.434 -26.199 1.00 39.03 O -ATOM 934 C GLU A 127 59.665 8.361 -20.608 1.00 17.49 C -ATOM 935 O GLU A 127 60.348 7.506 -20.105 1.00 15.11 O -ATOM 936 N SER A 128 59.402 9.530 -20.017 1.00 19.24 N -ATOM 937 CA SER A 128 60.068 9.926 -18.752 1.00 19.50 C -ATOM 938 CB SER A 128 59.647 11.327 -18.360 1.00 22.91 C -ATOM 939 OG SER A 128 58.277 11.558 -18.687 1.00 27.51 O -ATOM 940 C SER A 128 59.777 8.896 -17.649 1.00 19.02 C -ATOM 941 O SER A 128 60.686 8.603 -16.877 1.00 19.47 O -ATOM 942 N SER A 129 58.582 8.297 -17.633 1.00 15.08 N -ATOM 943 CA SER A 129 58.163 7.360 -16.559 1.00 14.03 C -ATOM 944 CB SER A 129 56.720 7.436 -16.303 1.00 12.94 C -ATOM 945 OG SER A 129 56.386 8.648 -15.641 1.00 13.83 O -ATOM 946 C SER A 129 58.623 5.924 -16.827 1.00 13.46 C -ATOM 947 O SER A 129 58.477 5.088 -15.910 1.00 14.92 O -ATOM 948 N GLY A 130 59.164 5.618 -18.013 1.00 12.53 N -ATOM 949 CA GLY A 130 59.823 4.323 -18.247 1.00 12.10 C -ATOM 950 C GLY A 130 58.852 3.149 -18.379 1.00 11.15 C -ATOM 951 O GLY A 130 59.299 2.013 -18.165 1.00 11.05 O -ATOM 952 N ARG A 131 57.578 3.415 -18.748 1.00 10.41 N -ATOM 953 CA ARG A 131 56.569 2.320 -18.941 1.00 10.64 C -ATOM 954 CB ARG A 131 55.643 2.211 -17.731 1.00 10.43 C -ATOM 955 CG ARG A 131 56.364 1.792 -16.460 1.00 10.94 C -ATOM 956 CD ARG A 131 55.391 1.518 -15.351 1.00 11.22 C -ATOM 957 NE ARG A 131 54.647 2.712 -15.045 1.00 11.93 N -ATOM 958 CZ ARG A 131 55.036 3.721 -14.270 1.00 13.61 C -ATOM 959 NH1 ARG A 131 56.136 3.631 -13.554 1.00 12.88 N -ATOM 960 NH2 ARG A 131 54.273 4.778 -14.145 1.00 13.25 N -ATOM 961 C ARG A 131 55.832 2.537 -20.259 1.00 10.28 C -ATOM 962 O ARG A 131 54.607 2.417 -20.321 1.00 9.71 O -ATOM 963 N THR A 132 56.589 2.836 -21.304 1.00 10.76 N -ATOM 964 CA THR A 132 56.055 2.961 -22.675 1.00 10.17 C -ATOM 965 CB THR A 132 56.954 3.828 -23.555 1.00 11.57 C -ATOM 966 OG1 THR A 132 58.149 3.091 -23.763 1.00 11.45 O -ATOM 967 CG2 THR A 132 57.211 5.195 -22.968 1.00 11.70 C -ATOM 968 C THR A 132 55.907 1.576 -23.292 1.00 10.13 C -ATOM 969 O THR A 132 56.426 0.611 -22.794 1.00 9.85 O -ATOM 970 N PRO A 133 55.237 1.490 -24.471 1.00 10.10 N -ATOM 971 CA PRO A 133 55.248 0.257 -25.256 1.00 9.32 C -ATOM 972 CB PRO A 133 54.533 0.642 -26.542 1.00 9.94 C -ATOM 973 CG PRO A 133 53.556 1.667 -26.051 1.00 10.07 C -ATOM 974 CD PRO A 133 54.318 2.482 -25.018 1.00 10.66 C -ATOM 975 C PRO A 133 56.671 -0.255 -25.474 1.00 9.78 C -ATOM 976 O PRO A 133 56.899 -1.408 -25.396 1.00 9.69 O -ATOM 977 N LYS A 134 57.622 0.651 -25.778 1.00 10.77 N -ATOM 978 CA LYS A 134 59.025 0.226 -26.002 1.00 11.62 C -ATOM 979 CB LYS A 134 59.834 1.406 -26.544 1.00 13.49 C -ATOM 980 CG LYS A 134 61.326 1.168 -26.695 1.00 15.78 C -ATOM 981 CD LYS A 134 61.943 2.215 -27.601 1.00 20.71 C -ATOM 982 CE LYS A 134 63.454 2.171 -27.638 1.00 23.22 C -ATOM 983 NZ LYS A 134 64.030 2.289 -26.281 1.00 25.44 N -ATOM 984 C LYS A 134 59.619 -0.378 -24.707 1.00 10.40 C -ATOM 985 O LYS A 134 60.316 -1.374 -24.757 1.00 10.56 O -ATOM 986 N ASP A 135 59.397 0.264 -23.566 1.00 10.64 N -ATOM 987 CA ASP A 135 59.908 -0.262 -22.279 1.00 11.01 C -ATOM 988 CB ASP A 135 59.575 0.656 -21.116 1.00 11.54 C -ATOM 989 CG ASP A 135 60.252 2.008 -21.257 1.00 12.62 C -ATOM 990 OD1 ASP A 135 61.471 2.029 -21.389 1.00 15.18 O -ATOM 991 OD2 ASP A 135 59.562 2.992 -21.285 1.00 13.37 O -ATOM 992 C ASP A 135 59.336 -1.655 -22.024 1.00 9.95 C -ATOM 993 O ASP A 135 60.025 -2.522 -21.530 1.00 10.66 O -ATOM 994 N PHE A 136 58.065 -1.838 -22.367 1.00 9.87 N -ATOM 995 CA PHE A 136 57.375 -3.140 -22.175 1.00 10.26 C -ATOM 996 CB PHE A 136 55.884 -2.926 -22.416 1.00 10.71 C -ATOM 997 CG PHE A 136 55.026 -4.116 -22.106 1.00 11.48 C -ATOM 998 CD1 PHE A 136 54.875 -4.515 -20.791 1.00 12.57 C -ATOM 999 CE1 PHE A 136 54.055 -5.569 -20.454 1.00 15.50 C -ATOM 1000 CZ PHE A 136 53.412 -6.247 -21.446 1.00 16.03 C -ATOM 1001 CD2 PHE A 136 54.383 -4.824 -23.108 1.00 13.93 C -ATOM 1002 CE2 PHE A 136 53.563 -5.891 -22.763 1.00 15.87 C -ATOM 1003 C PHE A 136 58.056 -4.220 -23.036 1.00 9.76 C -ATOM 1004 O PHE A 136 58.323 -5.314 -22.549 1.00 9.31 O -ATOM 1005 N ASP A 137 58.201 -3.921 -24.324 1.00 10.34 N -ATOM 1006 CA ASP A 137 58.882 -4.853 -25.252 1.00 10.75 C -ATOM 1007 CB ASP A 137 58.931 -4.239 -26.644 1.00 10.71 C -ATOM 1008 CG ASP A 137 57.730 -4.550 -27.518 1.00 10.75 C -ATOM 1009 OD1 ASP A 137 56.740 -5.120 -26.983 1.00 10.43 O -ATOM 1010 OD2 ASP A 137 57.803 -4.187 -28.701 1.00 11.61 O -ATOM 1011 C ASP A 137 60.290 -5.129 -24.736 1.00 10.55 C -ATOM 1012 O ASP A 137 60.737 -6.296 -24.812 1.00 11.36 O -ATOM 1013 N GLU A 138 60.974 -4.104 -24.215 1.00 9.81 N -ATOM 1014 CA GLU A 138 62.368 -4.331 -23.731 1.00 11.99 C -ATOM 1015 CB GLU A 138 63.103 -3.020 -23.453 1.00 13.53 C -ATOM 1016 CG GLU A 138 63.408 -2.314 -24.762 1.00 15.27 C -ATOM 1017 CD GLU A 138 64.079 -0.961 -24.683 1.00 19.00 C -ATOM 1018 OE1 GLU A 138 64.118 -0.397 -23.601 1.00 21.39 O -ATOM 1019 OE2 GLU A 138 64.518 -0.462 -25.746 1.00 24.13 O -ATOM 1020 C GLU A 138 62.339 -5.288 -22.538 1.00 12.37 C -ATOM 1021 O GLU A 138 63.199 -6.153 -22.475 1.00 13.62 O -ATOM 1022 N LEU A 139 61.377 -5.139 -21.620 1.00 11.53 N -ATOM 1023 CA LEU A 139 61.281 -6.080 -20.489 1.00 11.15 C -ATOM 1024 CB LEU A 139 60.159 -5.626 -19.557 1.00 11.62 C -ATOM 1025 CG LEU A 139 59.713 -6.695 -18.556 1.00 13.37 C -ATOM 1026 CD1 LEU A 139 60.813 -7.014 -17.565 1.00 15.10 C -ATOM 1027 CD2 LEU A 139 58.463 -6.259 -17.819 1.00 14.54 C -ATOM 1028 C LEU A 139 61.049 -7.498 -20.993 1.00 10.82 C -ATOM 1029 O LEU A 139 61.720 -8.440 -20.525 1.00 11.77 O -ATOM 1030 N VAL A 140 60.012 -7.700 -21.817 1.00 10.89 N -ATOM 1031 CA VAL A 140 59.639 -9.101 -22.156 1.00 10.96 C -ATOM 1032 CB VAL A 140 58.248 -9.172 -22.821 1.00 10.99 C -ATOM 1033 CG1 VAL A 140 57.174 -8.546 -21.919 1.00 10.55 C -ATOM 1034 CG2 VAL A 140 58.200 -8.534 -24.206 1.00 10.62 C -ATOM 1035 C VAL A 140 60.772 -9.757 -22.983 1.00 11.25 C -ATOM 1036 O VAL A 140 60.997 -10.963 -22.861 1.00 11.95 O -ATOM 1037 N ALA A 141 61.483 -8.974 -23.790 1.00 12.39 N -ATOM 1038 CA ALA A 141 62.634 -9.470 -24.585 1.00 14.48 C -ATOM 1039 CB ALA A 141 63.035 -8.441 -25.619 1.00 17.11 C -ATOM 1040 C ALA A 141 63.808 -9.813 -23.648 1.00 15.01 C -ATOM 1041 O ALA A 141 64.455 -10.849 -23.848 1.00 15.26 O -ATOM 1042 N ARG A 142 64.072 -8.958 -22.669 1.00 14.08 N -ATOM 1043 CA ARG A 142 65.144 -9.189 -21.661 1.00 15.78 C -ATOM 1044 CB ARG A 142 65.274 -7.996 -20.709 1.00 16.94 C -ATOM 1045 CG ARG A 142 66.403 -8.119 -19.688 1.00 18.17 C -ATOM 1046 CD ARG A 142 66.755 -6.759 -19.120 1.00 20.34 C -ATOM 1047 NE ARG A 142 65.638 -6.140 -18.425 1.00 19.86 N -ATOM 1048 CZ ARG A 142 65.091 -6.606 -17.306 1.00 20.42 C -ATOM 1049 NH1 ARG A 142 65.574 -7.685 -16.708 1.00 21.72 N -ATOM 1050 NH2 ARG A 142 64.091 -5.951 -16.751 1.00 20.75 N -ATOM 1051 C ARG A 142 64.856 -10.491 -20.906 1.00 14.54 C -ATOM 1052 O ARG A 142 65.783 -11.292 -20.666 1.00 15.90 O -ATOM 1053 N VAL A 143 63.603 -10.742 -20.529 1.00 14.77 N -ATOM 1054 CA VAL A 143 63.276 -11.969 -19.770 1.00 13.41 C -ATOM 1055 CB VAL A 143 61.911 -11.864 -19.055 1.00 13.23 C -ATOM 1056 CG1 VAL A 143 61.459 -13.194 -18.488 1.00 13.92 C -ATOM 1057 CG2 VAL A 143 61.924 -10.797 -17.964 1.00 14.10 C -ATOM 1058 C VAL A 143 63.359 -13.186 -20.705 1.00 12.97 C -ATOM 1059 O VAL A 143 64.016 -14.198 -20.331 1.00 14.23 O -ATOM 1060 N PHE A 144 62.652 -13.175 -21.845 1.00 12.78 N -ATOM 1061 CA PHE A 144 62.428 -14.406 -22.642 1.00 13.26 C -ATOM 1062 CB PHE A 144 61.037 -14.371 -23.280 1.00 13.04 C -ATOM 1063 CG PHE A 144 59.947 -14.547 -22.259 1.00 11.57 C -ATOM 1064 CD1 PHE A 144 59.799 -15.752 -21.607 1.00 11.80 C -ATOM 1065 CE1 PHE A 144 58.809 -15.925 -20.657 1.00 11.25 C -ATOM 1066 CZ PHE A 144 57.989 -14.878 -20.294 1.00 11.71 C -ATOM 1067 CD2 PHE A 144 59.117 -13.502 -21.881 1.00 12.38 C -ATOM 1068 CE2 PHE A 144 58.135 -13.678 -20.917 1.00 11.59 C -ATOM 1069 C PHE A 144 63.496 -14.615 -23.706 1.00 15.95 C -ATOM 1070 O PHE A 144 63.623 -15.775 -24.144 1.00 16.82 O -ATOM 1071 N GLN A 145 64.142 -13.527 -24.127 1.00 19.23 N -ATOM 1072 CA GLN A 145 65.181 -13.541 -25.188 1.00 21.44 C -ATOM 1073 CB GLN A 145 66.442 -14.186 -24.590 1.00 24.03 C -ATOM 1074 CG GLN A 145 66.919 -13.573 -23.281 1.00 29.30 C -ATOM 1075 CD GLN A 145 67.817 -12.368 -23.445 1.00 35.04 C -ATOM 1076 OE1 GLN A 145 68.351 -12.093 -24.523 1.00 43.04 O -ATOM 1077 NE2 GLN A 145 67.996 -11.635 -22.354 1.00 39.51 N -ATOM 1078 C GLN A 145 64.623 -14.288 -26.410 1.00 19.29 C -ATOM 1079 O GLN A 145 63.498 -13.971 -26.885 1.00 19.64 O -ATOM 1080 N GLY A 146 65.310 -15.336 -26.853 1.00 19.79 N -ATOM 1081 CA GLY A 146 64.979 -16.038 -28.105 1.00 17.06 C -ATOM 1082 C GLY A 146 63.763 -16.927 -27.986 1.00 14.26 C -ATOM 1083 O GLY A 146 63.375 -17.494 -29.015 1.00 15.50 O -ATOM 1084 N LYS A 147 63.127 -17.031 -26.816 1.00 13.89 N -ATOM 1085 CA LYS A 147 61.959 -17.935 -26.683 1.00 11.84 C -ATOM 1086 CB LYS A 147 61.641 -18.180 -25.209 1.00 11.83 C -ATOM 1087 CG LYS A 147 62.632 -19.050 -24.463 1.00 12.22 C -ATOM 1088 CD LYS A 147 62.210 -19.218 -23.016 1.00 12.68 C -ATOM 1089 CE LYS A 147 63.290 -19.849 -22.158 1.00 13.08 C -ATOM 1090 NZ LYS A 147 63.459 -21.254 -22.548 1.00 14.55 N -ATOM 1091 C LYS A 147 60.734 -17.356 -27.392 1.00 9.51 C -ATOM 1092 O LYS A 147 59.853 -18.143 -27.663 1.00 10.66 O -ATOM 1093 N LEU A 148 60.692 -16.044 -27.590 1.00 9.20 N -ATOM 1094 CA LEU A 148 59.442 -15.423 -28.111 1.00 9.01 C -ATOM 1095 CB LEU A 148 59.501 -13.904 -28.004 1.00 9.89 C -ATOM 1096 CG LEU A 148 59.578 -13.389 -26.570 1.00 10.61 C -ATOM 1097 CD1 LEU A 148 59.467 -11.872 -26.532 1.00 11.59 C -ATOM 1098 CD2 LEU A 148 58.508 -14.039 -25.699 1.00 10.90 C -ATOM 1099 C LEU A 148 59.183 -15.817 -29.554 1.00 9.28 C -ATOM 1100 O LEU A 148 60.135 -15.915 -30.390 1.00 10.50 O -ATOM 1101 N PHE A 149 57.912 -16.020 -29.858 1.00 8.59 N -ATOM 1102 CA PHE A 149 57.343 -16.047 -31.222 1.00 8.72 C -ATOM 1103 CB PHE A 149 56.586 -17.348 -31.455 1.00 8.77 C -ATOM 1104 CG PHE A 149 55.922 -17.440 -32.801 1.00 8.83 C -ATOM 1105 CD1 PHE A 149 56.649 -17.817 -33.912 1.00 9.56 C -ATOM 1106 CE1 PHE A 149 56.065 -17.919 -35.162 1.00 9.20 C -ATOM 1107 CZ PHE A 149 54.720 -17.666 -35.307 1.00 9.68 C -ATOM 1108 CD2 PHE A 149 54.557 -17.231 -32.947 1.00 8.91 C -ATOM 1109 CE2 PHE A 149 53.977 -17.323 -34.204 1.00 9.44 C -ATOM 1110 C PHE A 149 56.447 -14.812 -31.310 1.00 8.49 C -ATOM 1111 O PHE A 149 55.504 -14.701 -30.483 1.00 8.87 O -ATOM 1112 N THR A 150 56.685 -13.930 -32.264 1.00 9.04 N -ATOM 1113 CA THR A 150 56.068 -12.596 -32.326 1.00 8.92 C -ATOM 1114 CB THR A 150 57.145 -11.524 -32.296 1.00 9.90 C -ATOM 1115 OG1 THR A 150 57.835 -11.601 -33.550 1.00 10.36 O -ATOM 1116 CG2 THR A 150 58.103 -11.696 -31.136 1.00 10.46 C -ATOM 1117 C THR A 150 55.250 -12.429 -33.588 1.00 8.56 C -ATOM 1118 O THR A 150 55.297 -13.243 -34.521 1.00 8.08 O -ATOM 1119 N PRO A 151 54.480 -11.316 -33.683 1.00 8.01 N -ATOM 1120 CA PRO A 151 53.687 -11.098 -34.893 1.00 8.45 C -ATOM 1121 CB PRO A 151 53.032 -9.733 -34.609 1.00 8.78 C -ATOM 1122 CG PRO A 151 52.843 -9.719 -33.103 1.00 7.60 C -ATOM 1123 CD PRO A 151 54.137 -10.352 -32.608 1.00 8.38 C -ATOM 1124 C PRO A 151 54.522 -11.112 -36.187 1.00 8.59 C -ATOM 1125 O PRO A 151 54.105 -11.672 -37.192 1.00 8.10 O -ATOM 1126 N GLN A 152 55.688 -10.483 -36.173 1.00 9.02 N -ATOM 1127 CA GLN A 152 56.558 -10.492 -37.384 1.00 9.59 C -ATOM 1128 CB GLN A 152 57.782 -9.588 -37.189 1.00 10.05 C -ATOM 1129 CG GLN A 152 58.767 -9.641 -38.370 1.00 11.15 C -ATOM 1130 CD GLN A 152 58.147 -9.059 -39.618 1.00 12.13 C -ATOM 1131 OE1 GLN A 152 57.925 -7.864 -39.699 1.00 13.76 O -ATOM 1132 NE2 GLN A 152 57.802 -9.901 -40.575 1.00 13.72 N -ATOM 1133 C GLN A 152 56.949 -11.925 -37.739 1.00 9.20 C -ATOM 1134 O GLN A 152 57.039 -12.233 -38.903 1.00 9.94 O -ATOM 1135 N ASP A 153 57.179 -12.796 -36.776 1.00 8.88 N -ATOM 1136 CA ASP A 153 57.538 -14.195 -37.077 1.00 9.67 C -ATOM 1137 CB ASP A 153 57.903 -14.918 -35.797 1.00 9.30 C -ATOM 1138 CG ASP A 153 59.056 -14.266 -35.057 1.00 10.08 C -ATOM 1139 OD1 ASP A 153 59.977 -13.730 -35.707 1.00 10.46 O -ATOM 1140 OD2 ASP A 153 59.065 -14.330 -33.817 1.00 10.46 O -ATOM 1141 C ASP A 153 56.363 -14.854 -37.796 1.00 9.72 C -ATOM 1142 O ASP A 153 56.565 -15.647 -38.731 1.00 9.86 O -ATOM 1143 N LEU A 154 55.136 -14.589 -37.335 1.00 9.52 N -ATOM 1144 CA LEU A 154 53.965 -15.200 -37.964 1.00 8.16 C -ATOM 1145 CB LEU A 154 52.726 -14.943 -37.118 1.00 8.14 C -ATOM 1146 CG LEU A 154 51.408 -15.437 -37.705 1.00 8.04 C -ATOM 1147 CD1 LEU A 154 51.403 -16.945 -37.911 1.00 8.04 C -ATOM 1148 CD2 LEU A 154 50.243 -14.998 -36.823 1.00 8.78 C -ATOM 1149 C LEU A 154 53.834 -14.625 -39.364 1.00 8.26 C -ATOM 1150 O LEU A 154 53.514 -15.379 -40.291 1.00 8.75 O -ATOM 1151 N ALA A 155 54.017 -13.329 -39.518 1.00 8.15 N -ATOM 1152 CA ALA A 155 53.887 -12.683 -40.841 1.00 8.79 C -ATOM 1153 CB ALA A 155 54.065 -11.208 -40.692 1.00 9.58 C -ATOM 1154 C ALA A 155 54.862 -13.313 -41.842 1.00 9.63 C -ATOM 1155 O ALA A 155 54.474 -13.649 -42.969 1.00 10.11 O -ATOM 1156 N THR A 156 56.108 -13.493 -41.414 1.00 9.50 N -ATOM 1157 CA THR A 156 57.135 -14.107 -42.285 1.00 10.33 C -ATOM 1158 CB THR A 156 58.506 -14.052 -41.602 1.00 11.32 C -ATOM 1159 OG1 THR A 156 58.812 -12.663 -41.534 1.00 12.16 O -ATOM 1160 CG2 THR A 156 59.564 -14.817 -42.377 1.00 11.90 C -ATOM 1161 C THR A 156 56.652 -15.509 -42.645 1.00 11.15 C -ATOM 1162 O THR A 156 56.683 -15.908 -43.828 1.00 11.73 O -ATOM 1163 N HIS A 157 56.150 -16.273 -41.691 1.00 11.18 N -ATOM 1164 CA HIS A 157 55.649 -17.649 -41.930 1.00 10.84 C -ATOM 1165 CB HIS A 157 55.050 -18.260 -40.662 1.00 11.91 C -ATOM 1166 CG HIS A 157 54.573 -19.649 -40.869 1.00 11.08 C -ATOM 1167 ND1 HIS A 157 55.425 -20.731 -41.086 1.00 13.47 N -ATOM 1168 CE1 HIS A 157 54.701 -21.812 -41.282 1.00 15.29 C -ATOM 1169 NE2 HIS A 157 53.433 -21.464 -41.271 1.00 14.12 N -ATOM 1170 CD2 HIS A 157 53.323 -20.119 -41.035 1.00 12.01 C -ATOM 1171 C HIS A 157 54.610 -17.678 -43.064 1.00 10.91 C -ATOM 1172 O HIS A 157 54.643 -18.546 -43.912 1.00 11.83 O -ATOM 1173 N ILE A 158 53.650 -16.759 -43.038 1.00 10.59 N -ATOM 1174 CA ILE A 158 52.530 -16.740 -44.021 1.00 11.10 C -ATOM 1175 CB ILE A 158 51.185 -16.319 -43.388 1.00 10.30 C -ATOM 1176 CG1 ILE A 158 51.132 -14.845 -42.986 1.00 10.56 C -ATOM 1177 CG2 ILE A 158 50.898 -17.254 -42.232 1.00 10.48 C -ATOM 1178 CD1 ILE A 158 49.726 -14.275 -42.866 1.00 10.49 C -ATOM 1179 C ILE A 158 52.880 -15.881 -45.243 1.00 12.05 C -ATOM 1180 O ILE A 158 52.008 -15.758 -46.106 1.00 13.58 O -ATOM 1181 N GLY A 159 54.039 -15.227 -45.332 1.00 12.05 N -ATOM 1182 CA GLY A 159 54.407 -14.396 -46.510 1.00 12.80 C -ATOM 1183 C GLY A 159 53.700 -13.052 -46.557 1.00 13.11 C -ATOM 1184 O GLY A 159 53.455 -12.563 -47.673 1.00 14.59 O -ATOM 1185 N SER A 160 53.416 -12.470 -45.389 1.00 12.25 N -ATOM 1186 CA SER A 160 52.689 -11.199 -45.255 1.00 11.63 C -ATOM 1187 CB SER A 160 51.468 -11.454 -44.436 1.00 12.34 C -ATOM 1188 OG SER A 160 50.703 -10.283 -44.229 1.00 11.65 O -ATOM 1189 C SER A 160 53.568 -10.129 -44.611 1.00 11.27 C -ATOM 1190 O SER A 160 54.408 -10.484 -43.782 1.00 12.37 O -ATOM 1191 N GLY A 161 53.286 -8.858 -44.850 1.00 12.16 N -ATOM 1192 CA GLY A 161 53.746 -7.829 -43.908 1.00 12.28 C -ATOM 1193 C GLY A 161 53.034 -7.980 -42.576 1.00 11.51 C -ATOM 1194 O GLY A 161 51.868 -8.434 -42.508 1.00 10.10 O -ATOM 1195 N ALA A 162 53.676 -7.644 -41.486 1.00 10.95 N -ATOM 1196 CA ALA A 162 53.059 -7.770 -40.151 1.00 10.45 C -ATOM 1197 CB ALA A 162 54.063 -7.321 -39.145 1.00 11.46 C -ATOM 1198 C ALA A 162 51.819 -6.896 -40.057 1.00 9.06 C -ATOM 1199 O ALA A 162 50.881 -7.286 -39.336 1.00 10.00 O -ATOM 1200 N GLY A 163 51.858 -5.733 -40.701 1.00 9.63 N -ATOM 1201 CA GLY A 163 50.743 -4.786 -40.751 1.00 9.07 C -ATOM 1202 C GLY A 163 49.579 -5.231 -41.605 1.00 8.09 C -ATOM 1203 O GLY A 163 48.622 -4.476 -41.739 1.00 9.51 O -ATOM 1204 N ALA A 164 49.624 -6.423 -42.177 1.00 8.36 N -ATOM 1205 CA ALA A 164 48.497 -6.976 -42.959 1.00 8.62 C -ATOM 1206 CB ALA A 164 48.807 -6.904 -44.449 1.00 10.08 C -ATOM 1207 C ALA A 164 48.224 -8.415 -42.524 1.00 8.41 C -ATOM 1208 O ALA A 164 47.511 -9.141 -43.240 1.00 8.86 O -ATOM 1209 N LEU A 165 48.673 -8.777 -41.323 1.00 7.43 N -ATOM 1210 CA LEU A 165 48.284 -10.077 -40.730 1.00 7.00 C -ATOM 1211 CB LEU A 165 48.804 -10.184 -39.285 1.00 7.20 C -ATOM 1212 CG LEU A 165 50.258 -10.595 -39.158 1.00 7.83 C -ATOM 1213 CD1 LEU A 165 50.719 -10.364 -37.732 1.00 8.65 C -ATOM 1214 CD2 LEU A 165 50.446 -12.039 -39.556 1.00 8.40 C -ATOM 1215 C LEU A 165 46.754 -10.207 -40.708 1.00 6.60 C -ATOM 1216 O LEU A 165 46.240 -11.309 -40.892 1.00 7.00 O -ATOM 1217 N GLN A 166 46.046 -9.145 -40.336 1.00 6.13 N -ATOM 1218 CA GLN A 166 44.607 -9.238 -40.006 1.00 6.30 C -ATOM 1219 CB GLN A 166 44.108 -7.832 -39.786 1.00 6.54 C -ATOM 1220 CG GLN A 166 42.635 -7.794 -39.426 1.00 7.05 C -ATOM 1221 CD GLN A 166 41.991 -6.431 -39.472 1.00 7.14 C -ATOM 1222 OE1 GLN A 166 42.304 -5.595 -40.308 1.00 9.26 O -ATOM 1223 NE2 GLN A 166 41.068 -6.169 -38.577 1.00 7.40 N -ATOM 1224 C GLN A 166 43.857 -9.967 -41.120 1.00 5.75 C -ATOM 1225 O GLN A 166 43.132 -10.936 -40.846 1.00 6.03 O -ATOM 1226 N GLY A 167 44.053 -9.484 -42.343 1.00 6.54 N -ATOM 1227 CA GLY A 167 43.377 -10.060 -43.509 1.00 7.15 C -ATOM 1228 C GLY A 167 44.173 -11.156 -44.182 1.00 6.96 C -ATOM 1229 O GLY A 167 43.581 -12.081 -44.749 1.00 8.41 O -ATOM 1230 N ASN A 168 45.491 -11.130 -44.127 1.00 7.23 N -ATOM 1231 CA ASN A 168 46.282 -12.143 -44.884 1.00 7.98 C -ATOM 1232 CB ASN A 168 47.683 -11.639 -45.168 1.00 9.20 C -ATOM 1233 CG ASN A 168 47.682 -10.544 -46.214 1.00 10.04 C -ATOM 1234 OD1 ASN A 168 46.696 -10.379 -46.929 1.00 12.55 O -ATOM 1235 ND2 ASN A 168 48.774 -9.840 -46.343 1.00 10.36 N -ATOM 1236 C ASN A 168 46.301 -13.479 -44.164 1.00 8.17 C -ATOM 1237 O ASN A 168 46.573 -14.495 -44.808 1.00 9.13 O -ATOM 1238 N LEU A 169 45.948 -13.533 -42.876 1.00 7.49 N -ATOM 1239 CA LEU A 169 45.854 -14.823 -42.168 1.00 7.45 C -ATOM 1240 CB LEU A 169 45.701 -14.590 -40.674 1.00 7.03 C -ATOM 1241 CG LEU A 169 47.042 -14.344 -39.975 1.00 7.02 C -ATOM 1242 CD1 LEU A 169 46.812 -13.711 -38.610 1.00 6.88 C -ATOM 1243 CD2 LEU A 169 47.796 -15.661 -39.821 1.00 7.75 C -ATOM 1244 C LEU A 169 44.679 -15.660 -42.650 1.00 7.52 C -ATOM 1245 O LEU A 169 44.720 -16.867 -42.462 1.00 7.49 O -ATOM 1246 N LYS A 170 43.663 -15.068 -43.271 1.00 8.23 N -ATOM 1247 CA LYS A 170 42.511 -15.864 -43.742 1.00 9.41 C -ATOM 1248 CB LYS A 170 41.459 -14.934 -44.340 1.00 10.20 C -ATOM 1249 CG LYS A 170 40.161 -15.641 -44.684 1.00 12.09 C -ATOM 1250 CD LYS A 170 39.275 -14.723 -45.545 1.00 14.52 C -ATOM 1251 CE LYS A 170 39.932 -14.417 -46.878 1.00 17.40 C -ATOM 1252 NZ LYS A 170 38.938 -14.070 -47.910 1.00 20.37 N -ATOM 1253 C LYS A 170 43.003 -16.887 -44.775 1.00 10.63 C -ATOM 1254 O LYS A 170 43.630 -16.496 -45.739 1.00 10.96 O -ATOM 1255 N GLY A 171 42.698 -18.146 -44.515 1.00 12.46 N -ATOM 1256 CA GLY A 171 43.049 -19.285 -45.376 1.00 13.84 C -ATOM 1257 C GLY A 171 44.455 -19.761 -45.099 1.00 14.19 C -ATOM 1258 O GLY A 171 44.915 -20.668 -45.811 1.00 17.20 O -ATOM 1259 N LYS A 172 45.136 -19.234 -44.076 1.00 13.57 N -ATOM 1260 CA LYS A 172 46.536 -19.639 -43.837 1.00 13.26 C -ATOM 1261 CB LYS A 172 47.477 -18.421 -43.849 1.00 14.79 C -ATOM 1262 CG LYS A 172 47.747 -17.780 -45.216 1.00 18.10 C -ATOM 1263 CD LYS A 172 48.836 -18.465 -46.032 1.00 21.29 C -ATOM 1264 CE LYS A 172 49.473 -17.555 -47.072 1.00 22.96 C -ATOM 1265 NZ LYS A 172 48.496 -17.129 -48.093 1.00 26.35 N -ATOM 1266 C LYS A 172 46.624 -20.419 -42.528 1.00 12.22 C -ATOM 1267 O LYS A 172 45.817 -20.260 -41.596 1.00 13.98 O -ATOM 1268 N SER A 173 47.638 -21.265 -42.453 1.00 11.17 N -ATOM 1269 CA SER A 173 48.009 -22.016 -41.238 1.00 11.64 C -ATOM 1270 CB SER A 173 48.394 -23.442 -41.570 1.00 12.44 C -ATOM 1271 OG SER A 173 47.315 -24.129 -42.172 1.00 15.65 O -ATOM 1272 C SER A 173 49.139 -21.303 -40.480 1.00 10.33 C -ATOM 1273 O SER A 173 50.143 -20.825 -41.071 1.00 10.85 O -ATOM 1274 N TRP A 174 49.018 -21.233 -39.152 1.00 9.67 N -ATOM 1275 CA TRP A 174 50.144 -20.879 -38.280 1.00 8.99 C -ATOM 1276 CB TRP A 174 49.660 -20.692 -36.845 1.00 8.44 C -ATOM 1277 CG TRP A 174 48.868 -19.444 -36.592 1.00 8.37 C -ATOM 1278 CD1 TRP A 174 47.801 -18.963 -37.308 1.00 7.98 C -ATOM 1279 NE1 TRP A 174 47.333 -17.808 -36.749 1.00 8.36 N -ATOM 1280 CE2 TRP A 174 48.085 -17.498 -35.663 1.00 7.93 C -ATOM 1281 CD2 TRP A 174 49.082 -18.499 -35.542 1.00 8.26 C -ATOM 1282 CE3 TRP A 174 50.008 -18.403 -34.508 1.00 8.69 C -ATOM 1283 CZ3 TRP A 174 49.903 -17.345 -33.644 1.00 9.03 C -ATOM 1284 CH2 TRP A 174 48.943 -16.346 -33.816 1.00 8.99 C -ATOM 1285 CZ2 TRP A 174 47.998 -16.410 -34.806 1.00 8.82 C -ATOM 1286 C TRP A 174 51.146 -22.016 -38.346 1.00 8.92 C -ATOM 1287 O TRP A 174 50.813 -23.152 -38.729 1.00 10.72 O -ATOM 1288 N PRO A 175 52.381 -21.790 -37.850 1.00 9.30 N -ATOM 1289 CA PRO A 175 53.280 -22.917 -37.607 1.00 10.29 C -ATOM 1290 CB PRO A 175 54.501 -22.267 -36.965 1.00 9.80 C -ATOM 1291 CG PRO A 175 54.429 -20.835 -37.394 1.00 9.36 C -ATOM 1292 CD PRO A 175 52.951 -20.512 -37.398 1.00 9.38 C -ATOM 1293 C PRO A 175 52.623 -23.928 -36.658 1.00 10.60 C -ATOM 1294 O PRO A 175 51.695 -23.593 -35.884 1.00 9.97 O -ATOM 1295 N THR A 176 53.015 -25.189 -36.764 1.00 11.20 N -ATOM 1296 CA THR A 176 52.440 -26.277 -35.930 1.00 11.00 C -ATOM 1297 CB THR A 176 52.760 -27.656 -36.518 1.00 10.98 C -ATOM 1298 OG1 THR A 176 54.177 -27.783 -36.404 1.00 13.41 O -ATOM 1299 CG2 THR A 176 52.239 -27.829 -37.930 1.00 12.74 C -ATOM 1300 C THR A 176 52.955 -26.166 -34.496 1.00 10.23 C -ATOM 1301 O THR A 176 53.948 -25.483 -34.263 1.00 10.18 O -ATOM 1302 N ALA A 177 52.312 -26.846 -33.559 1.00 10.95 N -ATOM 1303 CA ALA A 177 52.864 -26.936 -32.188 1.00 10.94 C -ATOM 1304 CB ALA A 177 51.960 -27.725 -31.289 1.00 11.05 C -ATOM 1305 C ALA A 177 54.300 -27.469 -32.226 1.00 11.53 C -ATOM 1306 O ALA A 177 55.129 -26.949 -31.495 1.00 10.60 O -ATOM 1307 N ASN A 178 54.574 -28.464 -33.067 1.00 12.76 N -ATOM 1308 CA ASN A 178 55.944 -29.014 -33.203 1.00 14.13 C -ATOM 1309 CB ASN A 178 55.963 -30.206 -34.154 1.00 17.25 C -ATOM 1310 CG ASN A 178 57.354 -30.770 -34.296 1.00 20.52 C -ATOM 1311 OD1 ASN A 178 57.855 -31.398 -33.366 1.00 28.38 O -ATOM 1312 ND2 ASN A 178 58.000 -30.485 -35.417 1.00 25.18 N -ATOM 1313 C ASN A 178 56.870 -27.877 -33.636 1.00 12.61 C -ATOM 1314 O ASN A 178 57.965 -27.691 -33.040 1.00 12.88 O -ATOM 1315 N ASP A 179 56.474 -27.089 -34.636 1.00 12.21 N -ATOM 1316 CA ASP A 179 57.320 -25.958 -35.100 1.00 12.86 C -ATOM 1317 CB ASP A 179 56.666 -25.152 -36.220 1.00 13.46 C -ATOM 1318 CG ASP A 179 56.452 -25.892 -37.530 1.00 13.83 C -ATOM 1319 OD1 ASP A 179 57.191 -26.861 -37.807 1.00 15.58 O -ATOM 1320 OD2 ASP A 179 55.518 -25.497 -38.275 1.00 14.66 O -ATOM 1321 C ASP A 179 57.579 -24.976 -33.965 1.00 12.28 C -ATOM 1322 O ASP A 179 58.613 -24.297 -33.957 1.00 13.14 O -ATOM 1323 N LEU A 180 56.597 -24.840 -33.077 1.00 11.35 N -ATOM 1324 CA LEU A 180 56.651 -23.841 -31.977 1.00 11.93 C -ATOM 1325 CB LEU A 180 55.280 -23.187 -31.826 1.00 10.69 C -ATOM 1326 CG LEU A 180 54.764 -22.392 -33.014 1.00 11.15 C -ATOM 1327 CD1 LEU A 180 53.310 -22.054 -32.795 1.00 11.81 C -ATOM 1328 CD2 LEU A 180 55.601 -21.153 -33.180 1.00 11.24 C -ATOM 1329 C LEU A 180 57.108 -24.493 -30.666 1.00 11.07 C -ATOM 1330 O LEU A 180 56.912 -23.909 -29.590 1.00 11.82 O -ATOM 1331 N GLN A 181 57.795 -25.644 -30.737 1.00 12.16 N -ATOM 1332 CA GLN A 181 58.289 -26.273 -29.493 1.00 13.51 C -ATOM 1333 CB GLN A 181 59.163 -27.495 -29.758 1.00 16.02 C -ATOM 1334 CG GLN A 181 58.422 -28.764 -30.099 1.00 20.92 C -ATOM 1335 CD GLN A 181 59.414 -29.850 -30.452 1.00 22.41 C -ATOM 1336 OE1 GLN A 181 60.426 -30.052 -29.775 1.00 22.82 O -ATOM 1337 NE2 GLN A 181 59.095 -30.603 -31.494 1.00 27.42 N -ATOM 1338 C GLN A 181 59.184 -25.276 -28.769 1.00 11.03 C -ATOM 1339 O GLN A 181 60.025 -24.616 -29.390 1.00 13.03 O -ATOM 1340 N GLY A 182 59.017 -25.215 -27.452 1.00 12.10 N -ATOM 1341 CA GLY A 182 59.905 -24.348 -26.655 1.00 12.70 C -ATOM 1342 C GLY A 182 59.616 -22.854 -26.810 1.00 11.84 C -ATOM 1343 O GLY A 182 60.372 -22.057 -26.264 1.00 12.82 O -ATOM 1344 N LYS A 183 58.564 -22.453 -27.526 1.00 11.92 N -ATOM 1345 CA LYS A 183 58.282 -21.014 -27.732 1.00 10.50 C -ATOM 1346 CB LYS A 183 57.754 -20.773 -29.143 1.00 11.07 C -ATOM 1347 CG LYS A 183 58.655 -21.285 -30.268 1.00 12.66 C -ATOM 1348 CD LYS A 183 60.044 -20.711 -30.298 1.00 13.11 C -ATOM 1349 CE LYS A 183 60.087 -19.236 -30.548 1.00 12.64 C -ATOM 1350 NZ LYS A 183 61.472 -18.747 -30.342 1.00 12.98 N -ATOM 1351 C LYS A 183 57.298 -20.464 -26.697 1.00 10.24 C -ATOM 1352 O LYS A 183 56.568 -21.228 -26.058 1.00 9.97 O -ATOM 1353 N VAL A 184 57.375 -19.147 -26.564 1.00 9.37 N -ATOM 1354 CA VAL A 184 56.450 -18.338 -25.736 1.00 8.74 C -ATOM 1355 CB VAL A 184 57.166 -17.717 -24.531 1.00 9.35 C -ATOM 1356 CG1 VAL A 184 56.257 -16.773 -23.767 1.00 9.81 C -ATOM 1357 CG2 VAL A 184 57.724 -18.788 -23.599 1.00 10.35 C -ATOM 1358 C VAL A 184 55.804 -17.297 -26.629 1.00 7.96 C -ATOM 1359 O VAL A 184 56.501 -16.607 -27.351 1.00 8.24 O -ATOM 1360 N LEU A 185 54.473 -17.224 -26.533 1.00 7.45 N -ATOM 1361 CA LEU A 185 53.651 -16.206 -27.237 1.00 7.79 C -ATOM 1362 CB LEU A 185 52.532 -16.838 -28.063 1.00 8.14 C -ATOM 1363 CG LEU A 185 52.938 -17.565 -29.333 1.00 9.11 C -ATOM 1364 CD1 LEU A 185 53.633 -18.863 -29.006 1.00 10.59 C -ATOM 1365 CD2 LEU A 185 51.693 -17.881 -30.147 1.00 9.25 C -ATOM 1366 C LEU A 185 53.082 -15.279 -26.197 1.00 7.61 C -ATOM 1367 O LEU A 185 52.460 -15.767 -25.277 1.00 9.06 O -ATOM 1368 N LEU A 186 53.277 -14.010 -26.363 1.00 7.00 N -ATOM 1369 CA LEU A 186 52.734 -12.991 -25.466 1.00 7.32 C -ATOM 1370 CB LEU A 186 53.822 -11.965 -25.147 1.00 7.15 C -ATOM 1371 CG LEU A 186 55.090 -12.572 -24.558 1.00 8.06 C -ATOM 1372 CD1 LEU A 186 56.121 -11.493 -24.326 1.00 9.79 C -ATOM 1373 CD2 LEU A 186 54.838 -13.304 -23.252 1.00 8.83 C -ATOM 1374 C LEU A 186 51.535 -12.312 -26.130 1.00 6.97 C -ATOM 1375 O LEU A 186 51.640 -11.927 -27.309 1.00 7.06 O -ATOM 1376 N VAL A 187 50.505 -12.037 -25.339 1.00 6.70 N -ATOM 1377 CA VAL A 187 49.242 -11.468 -25.879 1.00 6.70 C -ATOM 1378 CB VAL A 187 48.137 -12.519 -25.857 1.00 6.70 C -ATOM 1379 CG1 VAL A 187 46.884 -11.948 -26.510 1.00 7.01 C -ATOM 1380 CG2 VAL A 187 48.592 -13.799 -26.573 1.00 6.54 C -ATOM 1381 C VAL A 187 48.873 -10.279 -25.010 1.00 6.61 C -ATOM 1382 O VAL A 187 48.863 -10.430 -23.777 1.00 8.63 O -ATOM 1383 N LEU A 188 48.553 -9.146 -25.593 1.00 6.08 N -ATOM 1384 CA LEU A 188 48.100 -7.947 -24.863 1.00 6.49 C -ATOM 1385 CB LEU A 188 48.685 -6.709 -25.499 1.00 7.15 C -ATOM 1386 CG LEU A 188 48.435 -5.414 -24.725 1.00 7.59 C -ATOM 1387 CD1 LEU A 188 49.092 -5.432 -23.341 1.00 8.53 C -ATOM 1388 CD2 LEU A 188 48.889 -4.230 -25.557 1.00 8.30 C -ATOM 1389 C LEU A 188 46.590 -7.859 -24.872 1.00 6.52 C -ATOM 1390 O LEU A 188 45.944 -7.959 -25.940 1.00 6.52 O -ATOM 1391 N ASN A 189 45.998 -7.730 -23.702 1.00 6.58 N -ATOM 1392 CA ASN A 189 44.576 -7.382 -23.539 1.00 6.81 C -ATOM 1393 CB ASN A 189 43.802 -8.473 -22.806 1.00 7.45 C -ATOM 1394 CG ASN A 189 43.611 -9.775 -23.542 1.00 7.58 C -ATOM 1395 OD1 ASN A 189 43.903 -9.930 -24.723 1.00 9.22 O -ATOM 1396 ND2 ASN A 189 43.053 -10.730 -22.843 1.00 7.36 N -ATOM 1397 C ASN A 189 44.468 -6.071 -22.759 1.00 6.94 C -ATOM 1398 O ASN A 189 45.416 -5.729 -22.007 1.00 7.19 O -ATOM 1399 N HIS A 190 43.337 -5.408 -22.887 1.00 7.99 N -ATOM 1400 CA HIS A 190 42.981 -4.212 -22.089 1.00 7.82 C -ATOM 1401 CB HIS A 190 43.771 -2.985 -22.574 1.00 8.27 C -ATOM 1402 CG HIS A 190 43.699 -1.782 -21.683 1.00 8.33 C -ATOM 1403 ND1 HIS A 190 42.586 -0.962 -21.627 1.00 8.77 N -ATOM 1404 CE1 HIS A 190 42.822 -0.020 -20.750 1.00 8.76 C -ATOM 1405 NE2 HIS A 190 44.042 -0.196 -20.239 1.00 9.36 N -ATOM 1406 CD2 HIS A 190 44.603 -1.286 -20.826 1.00 9.61 C -ATOM 1407 C HIS A 190 41.478 -4.042 -22.222 1.00 8.44 C -ATOM 1408 O HIS A 190 40.919 -4.516 -23.199 1.00 9.66 O -ATOM 1409 N SER A 191 40.841 -3.363 -21.304 1.00 8.74 N -ATOM 1410 CA SER A 191 39.390 -3.103 -21.491 1.00 9.69 C -ATOM 1411 CB SER A 191 38.779 -2.526 -20.261 1.00 12.20 C -ATOM 1412 OG SER A 191 39.325 -1.271 -19.974 1.00 15.64 O -ATOM 1413 C SER A 191 39.155 -2.195 -22.710 1.00 9.20 C -ATOM 1414 O SER A 191 38.064 -2.221 -23.258 1.00 10.37 O -ATOM 1415 N GLU A 192 40.125 -1.372 -23.059 1.00 8.69 N -ATOM 1416 CA GLU A 192 40.004 -0.357 -24.124 1.00 8.82 C -ATOM 1417 CB GLU A 192 40.377 1.044 -23.647 1.00 10.06 C -ATOM 1418 CG GLU A 192 39.556 1.513 -22.464 1.00 11.98 C -ATOM 1419 CD GLU A 192 40.100 2.730 -21.755 1.00 14.93 C -ATOM 1420 OE1 GLU A 192 40.833 3.445 -22.387 1.00 16.67 O -ATOM 1421 OE2 GLU A 192 39.834 2.894 -20.561 1.00 18.73 O -ATOM 1422 C GLU A 192 40.936 -0.746 -25.272 1.00 8.26 C -ATOM 1423 O GLU A 192 42.160 -0.693 -25.121 1.00 8.05 O -ATOM 1424 N ASN A 193 40.351 -0.984 -26.434 1.00 7.41 N -ATOM 1425 CA ASN A 193 41.173 -1.304 -27.625 1.00 7.50 C -ATOM 1426 CB ASN A 193 40.281 -1.630 -28.812 1.00 7.23 C -ATOM 1427 CG ASN A 193 39.523 -2.936 -28.661 1.00 6.57 C -ATOM 1428 OD1 ASN A 193 39.921 -3.772 -27.838 1.00 7.28 O -ATOM 1429 ND2 ASN A 193 38.475 -3.139 -29.448 1.00 6.97 N -ATOM 1430 C ASN A 193 42.126 -0.149 -27.961 1.00 7.10 C -ATOM 1431 O ASN A 193 43.132 -0.396 -28.601 1.00 7.28 O -ATOM 1432 N GLN A 194 41.813 1.072 -27.509 1.00 8.31 N -ATOM 1433 CA GLN A 194 42.693 2.230 -27.755 1.00 8.72 C -ATOM 1434 CB GLN A 194 42.162 3.484 -27.068 1.00 10.00 C -ATOM 1435 CG GLN A 194 40.939 4.125 -27.685 1.00 11.41 C -ATOM 1436 CD GLN A 194 39.601 3.490 -27.375 1.00 12.58 C -ATOM 1437 OE1 GLN A 194 39.442 2.387 -26.807 1.00 12.63 O -ATOM 1438 NE2 GLN A 194 38.568 4.185 -27.819 1.00 13.38 N -ATOM 1439 C GLN A 194 44.112 1.920 -27.267 1.00 8.27 C -ATOM 1440 O GLN A 194 45.079 2.317 -27.894 1.00 9.13 O -ATOM 1441 N LYS A 195 44.255 1.239 -26.133 1.00 8.28 N -ATOM 1442 CA LYS A 195 45.590 0.952 -25.575 1.00 8.43 C -ATOM 1443 CB LYS A 195 45.465 0.431 -24.148 1.00 9.08 C -ATOM 1444 CG LYS A 195 45.476 1.544 -23.101 1.00 9.90 C -ATOM 1445 CD LYS A 195 44.335 2.515 -23.149 1.00 11.18 C -ATOM 1446 CE LYS A 195 44.381 3.451 -21.955 1.00 12.81 C -ATOM 1447 NZ LYS A 195 43.381 4.522 -22.026 1.00 15.19 N -ATOM 1448 C LYS A 195 46.357 -0.041 -26.452 1.00 7.68 C -ATOM 1449 O LYS A 195 47.581 0.033 -26.505 1.00 7.96 O -ATOM 1450 N LEU A 196 45.625 -0.951 -27.106 1.00 7.50 N -ATOM 1451 CA LEU A 196 46.272 -1.888 -28.039 1.00 7.17 C -ATOM 1452 CB LEU A 196 45.288 -3.012 -28.358 1.00 7.41 C -ATOM 1453 CG LEU A 196 45.250 -4.186 -27.370 1.00 8.10 C -ATOM 1454 CD1 LEU A 196 45.085 -3.800 -25.910 1.00 9.29 C -ATOM 1455 CD2 LEU A 196 44.174 -5.186 -27.764 1.00 7.95 C -ATOM 1456 C LEU A 196 46.679 -1.134 -29.310 1.00 6.88 C -ATOM 1457 O LEU A 196 47.719 -1.396 -29.860 1.00 7.33 O -ATOM 1458 N SER A 197 45.838 -0.205 -29.748 1.00 6.90 N -ATOM 1459 CA SER A 197 46.138 0.629 -30.945 1.00 7.94 C -ATOM 1460 CB SER A 197 44.958 1.466 -31.280 1.00 8.41 C -ATOM 1461 OG SER A 197 45.139 2.014 -32.579 1.00 9.07 O -ATOM 1462 C SER A 197 47.389 1.479 -30.691 1.00 9.13 C -ATOM 1463 O SER A 197 48.267 1.543 -31.556 1.00 9.17 O -ATOM 1464 N GLN A 198 47.484 2.001 -29.476 1.00 8.88 N -ATOM 1465 CA GLN A 198 48.665 2.800 -29.082 1.00 9.36 C -ATOM 1466 CB GLN A 198 48.441 3.400 -27.699 1.00 9.27 C -ATOM 1467 CG GLN A 198 47.401 4.522 -27.726 1.00 10.63 C -ATOM 1468 CD GLN A 198 46.768 4.749 -26.381 1.00 12.09 C -ATOM 1469 OE1 GLN A 198 47.297 4.313 -25.365 1.00 15.17 O -ATOM 1470 NE2 GLN A 198 45.691 5.503 -26.351 1.00 14.04 N -ATOM 1471 C GLN A 198 49.913 1.911 -29.087 1.00 8.72 C -ATOM 1472 O GLN A 198 50.977 2.343 -29.558 1.00 8.37 O -ATOM 1473 N TYR A 199 49.826 0.688 -28.561 1.00 8.68 N -ATOM 1474 CA TYR A 199 50.983 -0.236 -28.566 1.00 8.43 C -ATOM 1475 CB TYR A 199 50.608 -1.509 -27.803 1.00 8.08 C -ATOM 1476 CG TYR A 199 51.667 -2.562 -27.894 1.00 8.20 C -ATOM 1477 CD1 TYR A 199 52.768 -2.547 -27.055 1.00 8.01 C -ATOM 1478 CE1 TYR A 199 53.752 -3.508 -27.169 1.00 8.13 C -ATOM 1479 CZ TYR A 199 53.654 -4.477 -28.170 1.00 8.56 C -ATOM 1480 OH TYR A 199 54.623 -5.404 -28.389 1.00 8.17 O -ATOM 1481 CE2 TYR A 199 52.557 -4.486 -29.026 1.00 8.56 C -ATOM 1482 CD2 TYR A 199 51.588 -3.524 -28.887 1.00 8.69 C -ATOM 1483 C TYR A 199 51.422 -0.515 -30.002 1.00 8.20 C -ATOM 1484 O TYR A 199 52.581 -0.455 -30.336 1.00 8.98 O -ATOM 1485 N ALA A 200 50.476 -0.882 -30.868 1.00 7.89 N -ATOM 1486 CA ALA A 200 50.805 -1.295 -32.252 1.00 8.67 C -ATOM 1487 CB ALA A 200 49.632 -1.916 -32.942 1.00 8.68 C -ATOM 1488 C ALA A 200 51.340 -0.093 -33.031 1.00 8.59 C -ATOM 1489 O ALA A 200 52.240 -0.281 -33.834 1.00 9.91 O -ATOM 1490 N GLU A 201 50.810 1.090 -32.779 1.00 9.17 N -ATOM 1491 CA GLU A 201 51.324 2.297 -33.485 1.00 11.58 C -ATOM 1492 CB GLU A 201 50.415 3.491 -33.249 1.00 13.04 C -ATOM 1493 CG GLU A 201 49.093 3.298 -33.955 1.00 18.41 C -ATOM 1494 CD GLU A 201 48.518 4.480 -34.696 1.00 19.58 C -ATOM 1495 OE1 GLU A 201 48.682 5.621 -34.165 1.00 23.29 O -ATOM 1496 OE2 GLU A 201 47.919 4.227 -35.799 1.00 17.37 O -ATOM 1497 C GLU A 201 52.734 2.620 -33.030 1.00 10.73 C -ATOM 1498 O GLU A 201 53.547 3.015 -33.873 1.00 12.93 O -ATOM 1499 N ALA A 202 53.091 2.287 -31.795 1.00 10.63 N -ATOM 1500 CA ALA A 202 54.443 2.574 -31.285 1.00 10.49 C -ATOM 1501 CB ALA A 202 54.466 2.600 -29.787 1.00 11.26 C -ATOM 1502 C ALA A 202 55.417 1.529 -31.812 1.00 11.15 C -ATOM 1503 O ALA A 202 56.553 1.897 -32.186 1.00 12.66 O -ATOM 1504 N ARG A 203 55.063 0.251 -31.846 1.00 10.46 N -ATOM 1505 CA ARG A 203 56.045 -0.844 -32.068 1.00 10.73 C -ATOM 1506 CB ARG A 203 55.785 -1.967 -31.058 1.00 10.32 C -ATOM 1507 CG ARG A 203 55.829 -1.503 -29.602 1.00 10.59 C -ATOM 1508 CD ARG A 203 57.082 -0.713 -29.275 1.00 11.28 C -ATOM 1509 NE ARG A 203 58.280 -1.466 -29.576 1.00 11.75 N -ATOM 1510 CZ ARG A 203 59.420 -0.969 -30.103 1.00 14.60 C -ATOM 1511 NH1 ARG A 203 59.517 0.318 -30.392 1.00 16.94 N -ATOM 1512 NH2 ARG A 203 60.438 -1.764 -30.368 1.00 15.06 N -ATOM 1513 C ARG A 203 56.055 -1.356 -33.513 1.00 10.19 C -ATOM 1514 O ARG A 203 57.007 -2.001 -33.901 1.00 11.47 O -ATOM 1515 N THR A 204 54.951 -1.182 -34.220 1.00 10.82 N -ATOM 1516 CA THR A 204 54.708 -1.686 -35.594 1.00 12.17 C -ATOM 1517 CB THR A 204 55.267 -0.715 -36.639 1.00 14.91 C -ATOM 1518 OG1 THR A 204 56.684 -0.628 -36.546 1.00 16.09 O -ATOM 1519 CG2 THR A 204 54.695 0.677 -36.469 1.00 16.83 C -ATOM 1520 C THR A 204 55.243 -3.119 -35.702 1.00 10.72 C -ATOM 1521 O THR A 204 54.932 -3.969 -34.875 1.00 10.90 O -ATOM 1522 N SER A 205 56.077 -3.401 -36.709 1.00 12.06 N -ATOM 1523 CA SER A 205 56.552 -4.775 -36.991 1.00 12.62 C -ATOM 1524 CB SER A 205 57.096 -4.858 -38.383 1.00 13.30 C -ATOM 1525 OG SER A 205 58.147 -3.938 -38.525 1.00 20.26 O -ATOM 1526 C SER A 205 57.583 -5.268 -35.968 1.00 10.74 C -ATOM 1527 O SER A 205 57.896 -6.448 -35.997 1.00 12.54 O -ATOM 1528 N LYS A 206 58.091 -4.384 -35.119 1.00 11.75 N -ATOM 1529 CA LYS A 206 59.055 -4.778 -34.069 1.00 12.60 C -ATOM 1530 CB LYS A 206 59.900 -3.573 -33.679 1.00 14.67 C -ATOM 1531 CG LYS A 206 60.781 -3.046 -34.806 1.00 17.17 C -ATOM 1532 CD LYS A 206 61.278 -1.650 -34.506 1.00 21.44 C -ATOM 1533 CE LYS A 206 60.171 -0.621 -34.540 1.00 25.08 C -ATOM 1534 NZ LYS A 206 60.713 0.755 -34.541 1.00 28.68 N -ATOM 1535 C LYS A 206 58.354 -5.335 -32.826 1.00 11.56 C -ATOM 1536 O LYS A 206 59.061 -5.865 -31.944 1.00 12.63 O -ATOM 1537 N ALA A 207 57.032 -5.281 -32.747 1.00 10.59 N -ATOM 1538 CA ALA A 207 56.278 -5.660 -31.538 1.00 9.44 C -ATOM 1539 CB ALA A 207 54.804 -5.730 -31.821 1.00 9.23 C -ATOM 1540 C ALA A 207 56.695 -7.047 -31.072 1.00 8.72 C -ATOM 1541 O ALA A 207 56.710 -7.973 -31.876 1.00 10.49 O -ATOM 1542 N LYS A 208 56.923 -7.185 -29.776 1.00 9.23 N -ATOM 1543 CA LYS A 208 57.197 -8.501 -29.168 1.00 9.29 C -ATOM 1544 CB LYS A 208 58.081 -8.333 -27.934 1.00 9.79 C -ATOM 1545 CG LYS A 208 59.453 -7.762 -28.249 1.00 10.68 C -ATOM 1546 CD LYS A 208 60.206 -8.638 -29.203 1.00 12.06 C -ATOM 1547 CE LYS A 208 61.649 -8.218 -29.405 1.00 13.50 C -ATOM 1548 NZ LYS A 208 62.215 -8.990 -30.529 1.00 15.96 N -ATOM 1549 C LYS A 208 55.898 -9.199 -28.766 1.00 8.37 C -ATOM 1550 O LYS A 208 55.924 -10.376 -28.459 1.00 9.94 O -ATOM 1551 N VAL A 209 54.779 -8.479 -28.788 1.00 7.82 N -ATOM 1552 CA VAL A 209 53.493 -8.948 -28.215 1.00 7.44 C -ATOM 1553 CB VAL A 209 53.136 -8.131 -26.950 1.00 8.25 C -ATOM 1554 CG1 VAL A 209 51.883 -8.623 -26.265 1.00 8.07 C -ATOM 1555 CG2 VAL A 209 54.314 -8.115 -25.977 1.00 8.14 C -ATOM 1556 C VAL A 209 52.410 -8.867 -29.286 1.00 7.63 C -ATOM 1557 O VAL A 209 52.331 -7.861 -30.010 1.00 8.04 O -ATOM 1558 N PHE A 210 51.576 -9.897 -29.338 1.00 6.58 N -ATOM 1559 CA PHE A 210 50.357 -9.923 -30.170 1.00 6.81 C -ATOM 1560 CB PHE A 210 49.816 -11.345 -30.291 1.00 6.72 C -ATOM 1561 CG PHE A 210 50.655 -12.251 -31.150 1.00 6.65 C -ATOM 1562 CD1 PHE A 210 51.728 -12.946 -30.609 1.00 7.36 C -ATOM 1563 CE1 PHE A 210 52.476 -13.762 -31.427 1.00 7.71 C -ATOM 1564 CZ PHE A 210 52.185 -13.906 -32.754 1.00 8.48 C -ATOM 1565 CD2 PHE A 210 50.326 -12.427 -32.488 1.00 7.61 C -ATOM 1566 CE2 PHE A 210 51.110 -13.240 -33.301 1.00 8.89 C -ATOM 1567 C PHE A 210 49.273 -9.082 -29.516 1.00 6.27 C -ATOM 1568 O PHE A 210 48.937 -9.320 -28.359 1.00 8.64 O -ATOM 1569 N ILE A 211 48.616 -8.202 -30.266 1.00 6.04 N -ATOM 1570 CA ILE A 211 47.438 -7.492 -29.709 1.00 6.58 C -ATOM 1571 CB ILE A 211 47.299 -6.057 -30.231 1.00 6.90 C -ATOM 1572 CG1 ILE A 211 47.154 -5.955 -31.744 1.00 7.73 C -ATOM 1573 CG2 ILE A 211 48.478 -5.192 -29.766 1.00 6.89 C -ATOM 1574 CD1 ILE A 211 46.634 -4.620 -32.260 1.00 8.44 C -ATOM 1575 C ILE A 211 46.177 -8.316 -29.964 1.00 5.92 C -ATOM 1576 O ILE A 211 46.007 -8.870 -31.020 1.00 7.54 O -ATOM 1577 N SER A 212 45.296 -8.367 -28.968 1.00 5.64 N -ATOM 1578 CA SER A 212 44.054 -9.138 -29.089 1.00 6.23 C -ATOM 1579 CB SER A 212 44.162 -10.409 -28.267 1.00 6.04 C -ATOM 1580 OG SER A 212 42.981 -11.156 -28.484 1.00 6.46 O -ATOM 1581 C SER A 212 42.889 -8.270 -28.653 1.00 5.77 C -ATOM 1582 O SER A 212 42.578 -8.217 -27.463 1.00 6.31 O -ATOM 1583 N PRO A 213 42.241 -7.572 -29.587 1.00 5.75 N -ATOM 1584 CA PRO A 213 41.227 -6.609 -29.179 1.00 5.69 C -ATOM 1585 CB PRO A 213 40.961 -5.799 -30.462 1.00 6.55 C -ATOM 1586 CG PRO A 213 41.351 -6.722 -31.574 1.00 6.95 C -ATOM 1587 CD PRO A 213 42.531 -7.490 -31.015 1.00 6.15 C -ATOM 1588 C PRO A 213 39.933 -7.264 -28.688 1.00 5.63 C -ATOM 1589 O PRO A 213 39.574 -8.352 -29.118 1.00 6.19 O -ATOM 1590 N VAL A 214 39.216 -6.511 -27.849 1.00 6.16 N -ATOM 1591 CA VAL A 214 37.849 -6.819 -27.446 1.00 6.94 C -ATOM 1592 CB VAL A 214 37.306 -5.761 -26.475 1.00 7.97 C -ATOM 1593 CG1 VAL A 214 35.836 -6.046 -26.167 1.00 9.23 C -ATOM 1594 CG2 VAL A 214 38.154 -5.735 -25.200 1.00 8.61 C -ATOM 1595 C VAL A 214 37.027 -6.888 -28.733 1.00 6.93 C -ATOM 1596 O VAL A 214 37.060 -5.933 -29.556 1.00 7.70 O -ATOM 1597 N THR A 215 36.277 -7.958 -28.893 1.00 6.72 N -ATOM 1598 CA THR A 215 35.594 -8.285 -30.162 1.00 7.12 C -ATOM 1599 CB THR A 215 36.255 -9.537 -30.710 1.00 6.88 C -ATOM 1600 OG1 THR A 215 37.633 -9.253 -30.974 1.00 7.08 O -ATOM 1601 CG2 THR A 215 35.636 -10.035 -31.994 1.00 7.44 C -ATOM 1602 C THR A 215 34.098 -8.435 -29.957 1.00 7.69 C -ATOM 1603 O THR A 215 33.683 -9.321 -29.163 1.00 8.60 O -ATOM 1604 N ASN A 216 33.340 -7.655 -30.699 1.00 8.29 N -ATOM 1605 CA ASN A 216 31.862 -7.782 -30.642 1.00 9.64 C -ATOM 1606 CB ASN A 216 31.226 -6.959 -29.520 1.00 10.72 C -ATOM 1607 CG ASN A 216 31.261 -5.468 -29.715 1.00 13.36 C -ATOM 1608 OD1 ASN A 216 31.673 -4.916 -30.734 1.00 13.85 O -ATOM 1609 ND2 ASN A 216 30.682 -4.770 -28.756 1.00 19.22 N -ATOM 1610 C ASN A 216 31.222 -7.512 -31.995 1.00 8.12 C -ATOM 1611 O ASN A 216 30.001 -7.366 -32.056 1.00 10.20 O -ATOM 1612 N GLY A 217 31.989 -7.500 -33.077 1.00 8.60 N -ATOM 1613 CA GLY A 217 31.461 -7.347 -34.442 1.00 7.96 C -ATOM 1614 C GLY A 217 32.515 -7.759 -35.429 1.00 8.36 C -ATOM 1615 O GLY A 217 33.721 -7.925 -35.072 1.00 8.00 O -ATOM 1616 N GLN A 218 32.117 -7.937 -36.676 1.00 8.54 N -ATOM 1617 CA GLN A 218 33.027 -8.449 -37.728 1.00 6.95 C -ATOM 1618 CB GLN A 218 32.254 -8.634 -39.036 1.00 7.57 C -ATOM 1619 CG GLN A 218 33.119 -9.247 -40.129 1.00 7.88 C -ATOM 1620 CD GLN A 218 33.492 -10.693 -39.869 1.00 8.12 C -ATOM 1621 OE1 GLN A 218 32.659 -11.521 -39.479 1.00 9.22 O -ATOM 1622 NE2 GLN A 218 34.748 -11.027 -40.165 1.00 9.23 N -ATOM 1623 C GLN A 218 34.205 -7.494 -37.895 1.00 6.66 C -ATOM 1624 O GLN A 218 35.277 -7.943 -38.226 1.00 6.95 O -ATOM 1625 N ASN A 219 33.938 -6.207 -37.787 1.00 6.95 N -ATOM 1626 CA ASN A 219 35.020 -5.199 -37.978 1.00 6.73 C -ATOM 1627 CB ASN A 219 34.546 -3.762 -37.817 1.00 7.33 C -ATOM 1628 CG ASN A 219 34.023 -3.483 -36.438 1.00 7.64 C -ATOM 1629 OD1 ASN A 219 33.120 -4.187 -36.002 1.00 8.42 O -ATOM 1630 ND2 ASN A 219 34.595 -2.495 -35.782 1.00 6.79 N -ATOM 1631 C ASN A 219 36.186 -5.489 -37.035 1.00 6.23 C -ATOM 1632 O ASN A 219 37.311 -5.162 -37.353 1.00 6.11 O -ATOM 1633 N ASP A 220 35.903 -6.012 -35.839 1.00 6.16 N -ATOM 1634 CA ASP A 220 36.955 -6.236 -34.821 1.00 6.38 C -ATOM 1635 CB ASP A 220 36.312 -6.469 -33.471 1.00 6.72 C -ATOM 1636 CG ASP A 220 35.493 -5.316 -32.978 1.00 7.14 C -ATOM 1637 OD1 ASP A 220 35.885 -4.185 -33.235 1.00 7.94 O -ATOM 1638 OD2 ASP A 220 34.454 -5.593 -32.254 1.00 7.65 O -ATOM 1639 C ASP A 220 37.838 -7.398 -35.244 1.00 6.95 C -ATOM 1640 O ASP A 220 38.951 -7.565 -34.694 1.00 7.55 O -ATOM 1641 N ILE A 221 37.343 -8.235 -36.135 1.00 6.59 N -ATOM 1642 CA ILE A 221 38.114 -9.354 -36.751 1.00 7.41 C -ATOM 1643 CB ILE A 221 37.196 -10.532 -37.117 1.00 8.53 C -ATOM 1644 CG1 ILE A 221 36.352 -11.009 -35.938 1.00 11.17 C -ATOM 1645 CG2 ILE A 221 38.032 -11.638 -37.776 1.00 8.49 C -ATOM 1646 CD1 ILE A 221 37.037 -11.967 -35.052 1.00 13.92 C -ATOM 1647 C ILE A 221 38.829 -8.876 -38.013 1.00 6.93 C -ATOM 1648 O ILE A 221 40.042 -9.082 -38.125 1.00 7.91 O -ATOM 1649 N SER A 222 38.131 -8.205 -38.920 1.00 6.16 N -ATOM 1650 CA SER A 222 38.607 -8.081 -40.323 1.00 6.94 C -ATOM 1651 CB SER A 222 37.836 -9.028 -41.206 1.00 7.36 C -ATOM 1652 OG SER A 222 36.433 -8.823 -41.088 1.00 7.47 O -ATOM 1653 C SER A 222 38.534 -6.662 -40.858 1.00 6.97 C -ATOM 1654 O SER A 222 38.784 -6.501 -42.063 1.00 8.05 O -ATOM 1655 N GLY A 223 38.124 -5.672 -40.075 1.00 6.55 N -ATOM 1656 CA GLY A 223 38.096 -4.309 -40.616 1.00 6.40 C -ATOM 1657 C GLY A 223 38.766 -3.333 -39.675 1.00 6.47 C -ATOM 1658 O GLY A 223 39.740 -3.703 -38.998 1.00 6.63 O -ATOM 1659 N LYS A 224 38.278 -2.105 -39.665 1.00 6.12 N -ATOM 1660 CA LYS A 224 38.763 -1.107 -38.701 1.00 6.11 C -ATOM 1661 CB LYS A 224 38.371 0.328 -39.064 1.00 6.58 C -ATOM 1662 CG LYS A 224 38.838 1.337 -38.015 1.00 7.43 C -ATOM 1663 CD LYS A 224 38.136 2.669 -38.060 1.00 9.23 C -ATOM 1664 CE LYS A 224 38.450 3.493 -36.818 1.00 10.29 C -ATOM 1665 NZ LYS A 224 38.032 2.799 -35.572 1.00 10.95 N -ATOM 1666 C LYS A 224 38.186 -1.521 -37.336 1.00 6.62 C -ATOM 1667 O LYS A 224 36.966 -1.469 -37.125 1.00 6.75 O -ATOM 1668 N VAL A 225 39.072 -1.991 -36.461 1.00 6.18 N -ATOM 1669 CA VAL A 225 38.647 -2.508 -35.143 1.00 6.26 C -ATOM 1670 CB VAL A 225 39.838 -3.177 -34.463 1.00 6.32 C -ATOM 1671 CG1 VAL A 225 39.525 -3.606 -33.049 1.00 6.24 C -ATOM 1672 CG2 VAL A 225 40.316 -4.357 -35.304 1.00 6.30 C -ATOM 1673 C VAL A 225 38.110 -1.344 -34.309 1.00 6.21 C -ATOM 1674 O VAL A 225 38.686 -0.251 -34.330 1.00 6.76 O -ATOM 1675 N SER A 226 37.037 -1.581 -33.555 1.00 6.40 N -ATOM 1676 CA SER A 226 36.472 -0.546 -32.675 1.00 7.14 C -ATOM 1677 CB SER A 226 35.355 -1.125 -31.842 1.00 8.05 C -ATOM 1678 OG SER A 226 34.388 -1.693 -32.692 1.00 10.06 O -ATOM 1679 C SER A 226 37.557 -0.027 -31.746 1.00 7.04 C -ATOM 1680 O SER A 226 38.309 -0.802 -31.151 1.00 7.91 O -ATOM 1681 N GLY A 227 37.722 1.281 -31.702 1.00 7.46 N -ATOM 1682 CA GLY A 227 38.685 1.912 -30.797 1.00 7.70 C -ATOM 1683 C GLY A 227 40.097 1.940 -31.336 1.00 7.71 C -ATOM 1684 O GLY A 227 41.016 2.399 -30.572 1.00 9.15 O -ATOM 1685 N MET A 228 40.355 1.435 -32.552 1.00 7.26 N -ATOM 1686 CA MET A 228 41.719 1.401 -33.092 1.00 7.24 C -ATOM 1687 CB MET A 228 42.246 -0.031 -33.236 1.00 7.34 C -ATOM 1688 CG MET A 228 42.046 -0.871 -31.993 1.00 6.63 C -ATOM 1689 SD MET A 228 43.384 -2.081 -31.745 1.00 8.10 S -ATOM 1690 CE MET A 228 43.380 -2.919 -33.327 1.00 8.57 C -ATOM 1691 C MET A 228 41.773 2.115 -34.428 1.00 7.38 C -ATOM 1692 O MET A 228 40.774 2.221 -35.129 1.00 7.71 O -ATOM 1693 N SER A 229 42.977 2.484 -34.804 1.00 6.89 N -ATOM 1694 CA SER A 229 43.270 2.982 -36.153 1.00 7.11 C -ATOM 1695 CB SER A 229 44.622 3.616 -36.251 1.00 7.46 C -ATOM 1696 OG SER A 229 45.606 2.660 -35.951 1.00 8.26 O -ATOM 1697 C SER A 229 43.192 1.818 -37.128 1.00 7.40 C -ATOM 1698 O SER A 229 43.371 0.614 -36.757 1.00 7.03 O -ATOM 1699 N SER A 230 42.971 2.108 -38.398 1.00 7.59 N -ATOM 1700 CA SER A 230 43.076 1.116 -39.488 1.00 8.59 C -ATOM 1701 CB SER A 230 42.705 1.771 -40.793 1.00 8.97 C -ATOM 1702 OG SER A 230 42.849 0.831 -41.803 1.00 12.81 O -ATOM 1703 C SER A 230 44.484 0.510 -39.473 1.00 7.80 C -ATOM 1704 O SER A 230 44.635 -0.695 -39.653 1.00 7.55 O -ATOM 1705 N GLN A 231 45.510 1.326 -39.283 1.00 8.60 N -ATOM 1706 CA GLN A 231 46.892 0.813 -39.337 1.00 9.22 C -ATOM 1707 CB GLN A 231 47.886 1.957 -39.195 1.00 10.83 C -ATOM 1708 CG GLN A 231 49.332 1.486 -39.147 1.00 14.56 C -ATOM 1709 CD GLN A 231 50.285 2.622 -38.875 1.00 16.98 C -ATOM 1710 OE1 GLN A 231 50.265 3.646 -39.587 1.00 24.15 O -ATOM 1711 NE2 GLN A 231 51.087 2.465 -37.815 1.00 17.77 N -ATOM 1712 C GLN A 231 47.069 -0.234 -38.218 1.00 7.68 C -ATOM 1713 O GLN A 231 47.634 -1.319 -38.459 1.00 8.50 O -ATOM 1714 N SER A 232 46.665 0.077 -37.002 1.00 7.55 N -ATOM 1715 CA SER A 232 46.818 -0.902 -35.901 1.00 7.29 C -ATOM 1716 CB SER A 232 46.502 -0.281 -34.582 1.00 7.95 C -ATOM 1717 OG SER A 232 47.464 0.705 -34.273 1.00 8.87 O -ATOM 1718 C SER A 232 45.953 -2.142 -36.145 1.00 7.12 C -ATOM 1719 O SER A 232 46.375 -3.254 -35.771 1.00 6.89 O -ATOM 1720 N SER A 233 44.793 -1.982 -36.759 1.00 6.87 N -ATOM 1721 CA SER A 233 43.883 -3.104 -37.046 1.00 6.48 C -ATOM 1722 CB SER A 233 42.669 -2.591 -37.744 1.00 6.55 C -ATOM 1723 OG SER A 233 41.892 -1.779 -36.877 1.00 7.08 O -ATOM 1724 C SER A 233 44.604 -4.152 -37.893 1.00 6.23 C -ATOM 1725 O SER A 233 44.338 -5.312 -37.745 1.00 6.04 O -ATOM 1726 N GLY A 234 45.469 -3.719 -38.797 1.00 6.44 N -ATOM 1727 CA GLY A 234 46.166 -4.627 -39.716 1.00 6.27 C -ATOM 1728 C GLY A 234 47.075 -5.620 -38.994 1.00 5.97 C -ATOM 1729 O GLY A 234 47.403 -6.669 -39.586 1.00 7.20 O -ATOM 1730 N TYR A 235 47.483 -5.345 -37.748 1.00 6.77 N -ATOM 1731 CA TYR A 235 48.350 -6.259 -36.981 1.00 7.04 C -ATOM 1732 CB TYR A 235 49.200 -5.439 -35.999 1.00 7.64 C -ATOM 1733 CG TYR A 235 50.234 -4.543 -36.631 1.00 7.94 C -ATOM 1734 CD1 TYR A 235 51.489 -5.006 -36.954 1.00 7.57 C -ATOM 1735 CE1 TYR A 235 52.417 -4.224 -37.612 1.00 9.20 C -ATOM 1736 CZ TYR A 235 52.107 -2.928 -37.950 1.00 9.30 C -ATOM 1737 OH TYR A 235 53.054 -2.196 -38.628 1.00 11.23 O -ATOM 1738 CE2 TYR A 235 50.849 -2.434 -37.623 1.00 8.77 C -ATOM 1739 CD2 TYR A 235 49.908 -3.255 -37.005 1.00 8.34 C -ATOM 1740 C TYR A 235 47.547 -7.317 -36.247 1.00 6.80 C -ATOM 1741 O TYR A 235 48.176 -8.155 -35.623 1.00 8.38 O -ATOM 1742 N VAL A 236 46.226 -7.286 -36.260 1.00 6.17 N -ATOM 1743 CA VAL A 236 45.413 -8.170 -35.405 1.00 5.91 C -ATOM 1744 CB VAL A 236 43.996 -7.612 -35.314 1.00 6.04 C -ATOM 1745 CG1 VAL A 236 43.047 -8.600 -34.653 1.00 6.67 C -ATOM 1746 CG2 VAL A 236 44.017 -6.305 -34.533 1.00 6.33 C -ATOM 1747 C VAL A 236 45.429 -9.597 -35.928 1.00 6.45 C -ATOM 1748 O VAL A 236 44.928 -9.879 -36.998 1.00 7.44 O -ATOM 1749 N ALA A 237 45.969 -10.477 -35.087 1.00 5.62 N -ATOM 1750 CA ALA A 237 46.056 -11.932 -35.352 1.00 6.02 C -ATOM 1751 CB ALA A 237 47.502 -12.349 -35.477 1.00 5.88 C -ATOM 1752 C ALA A 237 45.365 -12.754 -34.259 1.00 5.76 C -ATOM 1753 O ALA A 237 45.450 -13.992 -34.251 1.00 5.88 O -ATOM 1754 N MET A 238 44.697 -12.071 -33.334 1.00 5.51 N -ATOM 1755 CA MET A 238 44.072 -12.674 -32.146 1.00 5.58 C -ATOM 1756 CB MET A 238 45.051 -12.698 -30.976 1.00 5.85 C -ATOM 1757 CG MET A 238 46.294 -13.599 -31.186 1.00 6.08 C -ATOM 1758 SD MET A 238 46.973 -14.067 -29.618 1.00 7.48 S -ATOM 1759 CE MET A 238 48.335 -15.132 -30.099 1.00 7.40 C -ATOM 1760 C MET A 238 42.869 -11.832 -31.763 1.00 5.94 C -ATOM 1761 O MET A 238 42.856 -10.613 -32.059 1.00 6.64 O -ATOM 1762 N ASN A 239 41.894 -12.464 -31.143 1.00 5.45 N -ATOM 1763 CA ASN A 239 40.658 -11.760 -30.756 1.00 6.07 C -ATOM 1764 CB ASN A 239 39.557 -11.949 -31.797 1.00 6.04 C -ATOM 1765 CG ASN A 239 39.868 -11.206 -33.074 1.00 6.47 C -ATOM 1766 OD1 ASN A 239 40.475 -11.781 -34.000 1.00 6.83 O -ATOM 1767 ND2 ASN A 239 39.485 -9.946 -33.119 1.00 6.58 N -ATOM 1768 C ASN A 239 40.253 -12.239 -29.381 1.00 6.06 C -ATOM 1769 O ASN A 239 40.356 -13.402 -29.063 1.00 6.89 O -ATOM 1770 N ASN A 240 39.758 -11.315 -28.579 1.00 6.79 N -ATOM 1771 CA ASN A 240 39.363 -11.513 -27.173 1.00 8.50 C -ATOM 1772 CB ASN A 240 40.138 -10.610 -26.208 1.00 11.67 C -ATOM 1773 CG ASN A 240 40.290 -11.255 -24.831 1.00 17.09 C -ATOM 1774 OD1 ASN A 240 40.611 -12.451 -24.683 1.00 17.81 O -ATOM 1775 ND2 ASN A 240 40.046 -10.485 -23.784 1.00 21.15 N -ATOM 1776 C ASN A 240 37.857 -11.298 -27.038 1.00 7.48 C -ATOM 1777 O ASN A 240 37.359 -10.229 -27.341 1.00 7.71 O -ATOM 1778 N MET A 241 37.176 -12.294 -26.506 1.00 7.72 N -ATOM 1779 CA MET A 241 35.710 -12.260 -26.382 1.00 8.39 C -ATOM 1780 CB MET A 241 35.074 -13.279 -27.327 1.00 9.37 C -ATOM 1781 CG MET A 241 35.039 -12.872 -28.780 1.00 11.03 C -ATOM 1782 SD MET A 241 36.485 -13.001 -29.789 1.00 15.06 S -ATOM 1783 CE MET A 241 36.973 -14.726 -29.616 1.00 10.22 C -ATOM 1784 C MET A 241 35.270 -12.637 -24.969 1.00 7.78 C -ATOM 1785 O MET A 241 35.690 -13.672 -24.457 1.00 8.90 O -ATOM 1786 N GLY A 242 34.362 -11.859 -24.410 1.00 8.81 N -ATOM 1787 CA GLY A 242 33.595 -12.255 -23.221 1.00 9.28 C -ATOM 1788 C GLY A 242 32.528 -13.256 -23.621 1.00 10.77 C -ATOM 1789 O GLY A 242 32.280 -13.537 -24.790 1.00 10.57 O -ATOM 1790 N LYS A 243 31.866 -13.799 -22.610 1.00 11.47 N -ATOM 1791 CA LYS A 243 30.867 -14.869 -22.766 1.00 12.31 C -ATOM 1792 CB LYS A 243 30.215 -15.118 -21.392 1.00 13.97 C -ATOM 1793 CG LYS A 243 29.067 -16.119 -21.387 1.00 16.04 C -ATOM 1794 CD LYS A 243 28.534 -16.409 -19.978 1.00 15.86 C -ATOM 1795 CE LYS A 243 27.890 -15.252 -19.248 1.00 19.26 C -ATOM 1796 NZ LYS A 243 27.356 -15.714 -17.947 1.00 21.21 N -ATOM 1797 C LYS A 243 29.829 -14.456 -23.806 1.00 11.59 C -ATOM 1798 O LYS A 243 29.472 -15.259 -24.605 1.00 12.88 O -ATOM 1799 N GLY A 244 29.326 -13.238 -23.702 1.00 12.11 N -ATOM 1800 CA GLY A 244 28.216 -12.776 -24.539 1.00 13.49 C -ATOM 1801 C GLY A 244 28.613 -12.695 -26.001 1.00 13.28 C -ATOM 1802 O GLY A 244 27.685 -12.644 -26.848 1.00 14.78 O -ATOM 1803 N ASP A 245 29.917 -12.638 -26.292 1.00 11.92 N -ATOM 1804 CA ASP A 245 30.488 -12.403 -27.646 1.00 12.14 C -ATOM 1805 CB ASP A 245 31.434 -11.217 -27.539 1.00 13.86 C -ATOM 1806 CG ASP A 245 30.699 -9.923 -27.281 1.00 14.54 C -ATOM 1807 OD1 ASP A 245 29.674 -9.720 -27.928 1.00 15.13 O -ATOM 1808 OD2 ASP A 245 31.133 -9.164 -26.409 1.00 16.13 O -ATOM 1809 C ASP A 245 31.156 -13.654 -28.198 1.00 12.07 C -ATOM 1810 O ASP A 245 31.790 -13.553 -29.263 1.00 11.28 O -ATOM 1811 N LYS A 246 31.011 -14.815 -27.582 1.00 11.23 N -ATOM 1812 CA LYS A 246 31.806 -15.984 -28.004 1.00 10.69 C -ATOM 1813 CB LYS A 246 31.624 -17.064 -26.942 1.00 10.70 C -ATOM 1814 CG LYS A 246 30.268 -17.745 -26.882 1.00 11.15 C -ATOM 1815 CD LYS A 246 30.301 -18.926 -25.932 1.00 12.25 C -ATOM 1816 CE LYS A 246 29.004 -19.699 -25.877 1.00 12.98 C -ATOM 1817 NZ LYS A 246 29.207 -20.966 -25.121 1.00 12.71 N -ATOM 1818 C LYS A 246 31.422 -16.489 -29.385 1.00 10.12 C -ATOM 1819 O LYS A 246 32.175 -17.243 -29.941 1.00 10.40 O -ATOM 1820 N SER A 247 30.224 -16.147 -29.865 1.00 11.04 N -ATOM 1821 CA SER A 247 29.821 -16.487 -31.264 1.00 11.66 C -ATOM 1822 CB SER A 247 28.437 -15.948 -31.624 1.00 12.70 C -ATOM 1823 OG SER A 247 28.365 -14.546 -31.478 1.00 15.47 O -ATOM 1824 C SER A 247 30.899 -16.000 -32.251 1.00 11.00 C -ATOM 1825 O SER A 247 31.131 -16.657 -33.265 1.00 14.29 O -ATOM 1826 N TRP A 248 31.611 -14.916 -31.952 1.00 9.72 N -ATOM 1827 CA TRP A 248 32.646 -14.376 -32.865 1.00 9.02 C -ATOM 1828 CB TRP A 248 33.015 -12.960 -32.418 1.00 9.08 C -ATOM 1829 CG TRP A 248 31.903 -12.016 -32.686 1.00 9.43 C -ATOM 1830 CD1 TRP A 248 31.025 -11.492 -31.795 1.00 11.35 C -ATOM 1831 NE1 TRP A 248 30.083 -10.765 -32.465 1.00 11.50 N -ATOM 1832 CE2 TRP A 248 30.288 -10.855 -33.815 1.00 10.71 C -ATOM 1833 CD2 TRP A 248 31.438 -11.648 -33.994 1.00 9.00 C -ATOM 1834 CE3 TRP A 248 31.911 -11.881 -35.300 1.00 10.09 C -ATOM 1835 CZ3 TRP A 248 31.215 -11.376 -36.376 1.00 10.87 C -ATOM 1836 CH2 TRP A 248 30.081 -10.599 -36.151 1.00 10.53 C -ATOM 1837 CZ2 TRP A 248 29.583 -10.321 -34.901 1.00 10.68 C -ATOM 1838 C TRP A 248 33.871 -15.296 -32.950 1.00 9.77 C -ATOM 1839 O TRP A 248 34.678 -15.135 -33.896 1.00 9.60 O -ATOM 1840 N ALA A 249 34.008 -16.297 -32.076 1.00 9.87 N -ATOM 1841 CA ALA A 249 35.166 -17.193 -32.183 1.00 9.40 C -ATOM 1842 CB ALA A 249 35.208 -18.174 -31.056 1.00 9.17 C -ATOM 1843 C ALA A 249 35.122 -17.942 -33.515 1.00 9.23 C -ATOM 1844 O ALA A 249 36.193 -18.251 -34.033 1.00 9.48 O -ATOM 1845 N LYS A 250 33.937 -18.244 -34.057 1.00 9.50 N -ATOM 1846 CA LYS A 250 33.885 -18.987 -35.346 1.00 10.17 C -ATOM 1847 CB LYS A 250 32.453 -19.415 -35.680 1.00 11.78 C -ATOM 1848 CG LYS A 250 31.961 -20.655 -34.943 1.00 14.89 C -ATOM 1849 CD LYS A 250 30.559 -21.092 -35.365 1.00 18.68 C -ATOM 1850 CE LYS A 250 30.004 -22.227 -34.524 1.00 24.92 C -ATOM 1851 NZ LYS A 250 30.642 -23.522 -34.855 1.00 27.73 N -ATOM 1852 C LYS A 250 34.503 -18.133 -36.451 1.00 9.05 C -ATOM 1853 O LYS A 250 35.143 -18.679 -37.328 1.00 9.12 O -ATOM 1854 N GLN A 251 34.306 -16.821 -36.387 1.00 7.83 N -ATOM 1855 CA GLN A 251 34.924 -15.908 -37.381 1.00 8.46 C -ATOM 1856 CB GLN A 251 34.103 -14.652 -37.470 1.00 9.58 C -ATOM 1857 CG GLN A 251 32.918 -14.886 -38.399 1.00 11.15 C -ATOM 1858 CD GLN A 251 33.418 -15.040 -39.828 1.00 12.74 C -ATOM 1859 OE1 GLN A 251 34.110 -14.151 -40.362 1.00 14.90 O -ATOM 1860 NE2 GLN A 251 33.284 -16.230 -40.400 1.00 13.50 N -ATOM 1861 C GLN A 251 36.389 -15.673 -37.051 1.00 7.97 C -ATOM 1862 O GLN A 251 37.160 -15.585 -38.027 1.00 8.54 O -ATOM 1863 N ALA A 252 36.812 -15.649 -35.789 1.00 7.67 N -ATOM 1864 CA ALA A 252 38.266 -15.675 -35.517 1.00 7.83 C -ATOM 1865 CB ALA A 252 38.561 -15.621 -34.031 1.00 7.76 C -ATOM 1866 C ALA A 252 38.879 -16.915 -36.170 1.00 8.29 C -ATOM 1867 O ALA A 252 39.898 -16.818 -36.845 1.00 7.91 O -ATOM 1868 N PHE A 253 38.274 -18.069 -35.972 1.00 8.10 N -ATOM 1869 CA PHE A 253 38.733 -19.336 -36.536 1.00 8.99 C -ATOM 1870 CB PHE A 253 37.791 -20.438 -36.041 1.00 9.77 C -ATOM 1871 CG PHE A 253 37.988 -21.778 -36.694 1.00 10.98 C -ATOM 1872 CD1 PHE A 253 38.953 -22.660 -36.221 1.00 13.56 C -ATOM 1873 CE1 PHE A 253 39.164 -23.890 -36.830 1.00 14.54 C -ATOM 1874 CZ PHE A 253 38.428 -24.240 -37.938 1.00 15.55 C -ATOM 1875 CD2 PHE A 253 37.264 -22.141 -37.814 1.00 13.04 C -ATOM 1876 CE2 PHE A 253 37.470 -23.382 -38.416 1.00 14.31 C -ATOM 1877 C PHE A 253 38.772 -19.220 -38.051 1.00 8.95 C -ATOM 1878 O PHE A 253 39.743 -19.673 -38.647 1.00 9.09 O -ATOM 1879 N ALA A 254 37.727 -18.656 -38.677 1.00 8.59 N -ATOM 1880 CA ALA A 254 37.685 -18.529 -40.154 1.00 8.98 C -ATOM 1881 CB ALA A 254 36.373 -17.921 -40.557 1.00 9.26 C -ATOM 1882 C ALA A 254 38.864 -17.684 -40.634 1.00 8.52 C -ATOM 1883 O ALA A 254 39.332 -17.875 -41.754 1.00 9.80 O -ATOM 1884 N TYR A 255 39.283 -16.718 -39.845 1.00 8.00 N -ATOM 1885 CA TYR A 255 40.352 -15.778 -40.243 1.00 7.58 C -ATOM 1886 CB TYR A 255 40.019 -14.364 -39.727 1.00 7.25 C -ATOM 1887 CG TYR A 255 39.380 -13.509 -40.800 1.00 6.58 C -ATOM 1888 CD1 TYR A 255 38.024 -13.623 -41.131 1.00 7.12 C -ATOM 1889 CE1 TYR A 255 37.468 -12.871 -42.166 1.00 7.19 C -ATOM 1890 CZ TYR A 255 38.238 -11.980 -42.865 1.00 7.15 C -ATOM 1891 OH TYR A 255 37.745 -11.225 -43.902 1.00 7.53 O -ATOM 1892 CE2 TYR A 255 39.567 -11.848 -42.533 1.00 7.21 C -ATOM 1893 CD2 TYR A 255 40.134 -12.614 -41.533 1.00 7.09 C -ATOM 1894 C TYR A 255 41.717 -16.249 -39.725 1.00 7.05 C -ATOM 1895 O TYR A 255 42.697 -15.501 -39.882 1.00 7.56 O -ATOM 1896 N SER A 256 41.804 -17.444 -39.159 1.00 7.43 N -ATOM 1897 CA SER A 256 43.084 -17.918 -38.563 1.00 7.09 C -ATOM 1898 CB SER A 256 44.099 -18.240 -39.596 1.00 7.27 C -ATOM 1899 OG SER A 256 43.616 -19.318 -40.362 1.00 8.25 O -ATOM 1900 C SER A 256 43.609 -16.885 -37.560 1.00 6.72 C -ATOM 1901 O SER A 256 44.816 -16.708 -37.447 1.00 7.60 O -ATOM 1902 N HIS A 257 42.709 -16.270 -36.787 1.00 6.99 N -ATOM 1903 CA HIS A 257 43.100 -15.504 -35.578 1.00 6.42 C -ATOM 1904 CB HIS A 257 42.248 -14.245 -35.443 1.00 6.01 C -ATOM 1905 CG HIS A 257 42.398 -13.226 -36.521 1.00 5.86 C -ATOM 1906 ND1 HIS A 257 41.793 -12.002 -36.408 1.00 6.49 N -ATOM 1907 CE1 HIS A 257 42.028 -11.314 -37.495 1.00 6.31 C -ATOM 1908 NE2 HIS A 257 42.768 -12.037 -38.320 1.00 6.07 N -ATOM 1909 CD2 HIS A 257 43.033 -13.240 -37.708 1.00 5.84 C -ATOM 1910 C HIS A 257 42.895 -16.392 -34.359 1.00 6.35 C -ATOM 1911 O HIS A 257 41.895 -17.090 -34.287 1.00 6.52 O -ATOM 1912 N ILE A 258 43.778 -16.319 -33.385 1.00 6.08 N -ATOM 1913 CA ILE A 258 43.600 -17.081 -32.129 1.00 6.04 C -ATOM 1914 CB ILE A 258 44.912 -17.246 -31.372 1.00 6.76 C -ATOM 1915 CG1 ILE A 258 46.024 -17.753 -32.288 1.00 7.37 C -ATOM 1916 CG2 ILE A 258 44.724 -18.112 -30.161 1.00 7.00 C -ATOM 1917 CD1 ILE A 258 45.679 -19.049 -33.031 1.00 8.09 C -ATOM 1918 C ILE A 258 42.530 -16.397 -31.283 1.00 6.58 C -ATOM 1919 O ILE A 258 42.765 -15.303 -30.731 1.00 7.60 O -ATOM 1920 N GLY A 259 41.419 -17.086 -31.104 1.00 6.18 N -ATOM 1921 CA GLY A 259 40.284 -16.616 -30.291 1.00 6.49 C -ATOM 1922 C GLY A 259 40.405 -17.061 -28.855 1.00 7.02 C -ATOM 1923 O GLY A 259 40.594 -18.239 -28.608 1.00 7.74 O -ATOM 1924 N ARG A 260 40.119 -16.153 -27.936 1.00 7.10 N -ATOM 1925 CA ARG A 260 40.047 -16.497 -26.509 1.00 7.04 C -ATOM 1926 CB ARG A 260 41.147 -15.804 -25.697 1.00 7.63 C -ATOM 1927 CG ARG A 260 41.100 -16.119 -24.198 1.00 8.48 C -ATOM 1928 CD ARG A 260 42.435 -15.785 -23.535 1.00 9.69 C -ATOM 1929 NE ARG A 260 42.531 -16.087 -22.098 1.00 11.05 N -ATOM 1930 CZ ARG A 260 42.043 -15.303 -21.153 1.00 12.63 C -ATOM 1931 NH1 ARG A 260 41.384 -14.219 -21.518 1.00 11.70 N -ATOM 1932 NH2 ARG A 260 42.200 -15.618 -19.876 1.00 15.26 N -ATOM 1933 C ARG A 260 38.688 -16.064 -25.999 1.00 6.66 C -ATOM 1934 O ARG A 260 38.260 -14.940 -26.276 1.00 7.48 O -ATOM 1935 N VAL A 261 38.045 -16.952 -25.252 1.00 6.66 N -ATOM 1936 CA VAL A 261 36.738 -16.660 -24.626 1.00 7.22 C -ATOM 1937 CB VAL A 261 35.616 -17.569 -25.137 1.00 7.51 C -ATOM 1938 CG1 VAL A 261 34.339 -17.386 -24.334 1.00 7.96 C -ATOM 1939 CG2 VAL A 261 35.365 -17.298 -26.602 1.00 7.37 C -ATOM 1940 C VAL A 261 36.913 -16.774 -23.120 1.00 7.63 C -ATOM 1941 O VAL A 261 37.324 -17.866 -22.651 1.00 8.29 O -ATOM 1942 N TRP A 262 36.548 -15.733 -22.398 1.00 8.13 N -ATOM 1943 CA TRP A 262 36.605 -15.698 -20.917 1.00 8.50 C -ATOM 1944 CB TRP A 262 37.584 -14.615 -20.452 1.00 9.43 C -ATOM 1945 CG TRP A 262 37.214 -13.256 -20.945 1.00 12.10 C -ATOM 1946 CD1 TRP A 262 37.614 -12.661 -22.110 1.00 13.78 C -ATOM 1947 NE1 TRP A 262 37.060 -11.422 -22.195 1.00 14.92 N -ATOM 1948 CE2 TRP A 262 36.330 -11.154 -21.077 1.00 16.35 C -ATOM 1949 CD2 TRP A 262 36.379 -12.309 -20.273 1.00 14.12 C -ATOM 1950 CE3 TRP A 262 35.697 -12.303 -19.051 1.00 14.48 C -ATOM 1951 CZ3 TRP A 262 34.984 -11.172 -18.690 1.00 16.80 C -ATOM 1952 CH2 TRP A 262 34.930 -10.052 -19.525 1.00 17.83 C -ATOM 1953 CZ2 TRP A 262 35.571 -10.035 -20.737 1.00 17.45 C -ATOM 1954 C TRP A 262 35.201 -15.539 -20.327 1.00 8.46 C -ATOM 1955 O TRP A 262 34.290 -15.030 -20.989 1.00 10.47 O -ATOM 1956 N GLY A 263 35.049 -15.981 -19.090 1.00 9.06 N -ATOM 1957 CA GLY A 263 33.803 -15.845 -18.330 1.00 8.34 C -ATOM 1958 C GLY A 263 32.759 -16.888 -18.668 1.00 9.56 C -ATOM 1959 O GLY A 263 31.577 -16.702 -18.274 1.00 11.41 O -ATOM 1960 N ASP A 264 33.106 -17.927 -19.381 1.00 9.51 N -ATOM 1961 CA ASP A 264 32.107 -18.939 -19.820 1.00 9.76 C -ATOM 1962 CB ASP A 264 32.114 -19.107 -21.336 1.00 10.12 C -ATOM 1963 CG ASP A 264 30.817 -19.660 -21.893 1.00 10.47 C -ATOM 1964 OD1 ASP A 264 29.770 -19.406 -21.245 1.00 11.55 O -ATOM 1965 OD2 ASP A 264 30.850 -20.242 -22.972 1.00 11.67 O -ATOM 1966 C ASP A 264 32.345 -20.274 -19.121 1.00 9.13 C -ATOM 1967 O ASP A 264 32.232 -21.308 -19.747 1.00 9.28 O -ATOM 1968 N ASP A 265 32.594 -20.239 -17.827 1.00 9.11 N -ATOM 1969 CA ASP A 265 33.091 -21.415 -17.064 1.00 9.33 C -ATOM 1970 CB ASP A 265 33.469 -21.042 -15.632 1.00 9.75 C -ATOM 1971 CG ASP A 265 34.577 -20.005 -15.628 1.00 9.37 C -ATOM 1972 OD1 ASP A 265 34.266 -18.864 -16.015 1.00 9.87 O -ATOM 1973 OD2 ASP A 265 35.709 -20.415 -15.349 1.00 9.63 O -ATOM 1974 C ASP A 265 32.102 -22.574 -16.983 1.00 10.53 C -ATOM 1975 O ASP A 265 32.534 -23.662 -16.672 1.00 11.47 O -ATOM 1976 N GLU A 266 30.822 -22.333 -17.173 1.00 10.14 N -ATOM 1977 CA GLU A 266 29.783 -23.386 -16.960 1.00 12.20 C -ATOM 1978 CB GLU A 266 28.496 -22.803 -16.382 1.00 13.25 C -ATOM 1979 CG GLU A 266 28.632 -22.448 -14.910 1.00 13.34 C -ATOM 1980 CD GLU A 266 29.504 -21.249 -14.557 1.00 13.22 C -ATOM 1981 OE1 GLU A 266 29.216 -20.150 -15.051 1.00 15.47 O -ATOM 1982 OE2 GLU A 266 30.426 -21.409 -13.731 1.00 13.59 O -ATOM 1983 C GLU A 266 29.587 -24.167 -18.254 1.00 12.19 C -ATOM 1984 O GLU A 266 28.720 -25.045 -18.284 1.00 15.63 O -ATOM 1985 N VAL A 267 30.299 -23.824 -19.321 1.00 11.88 N -ATOM 1986 CA VAL A 267 30.261 -24.555 -20.625 1.00 11.76 C -ATOM 1987 CB VAL A 267 30.117 -23.577 -21.797 1.00 12.15 C -ATOM 1988 CG1 VAL A 267 30.307 -24.235 -23.145 1.00 12.28 C -ATOM 1989 CG2 VAL A 267 28.764 -22.932 -21.724 1.00 12.17 C -ATOM 1990 C VAL A 267 31.529 -25.379 -20.706 1.00 12.54 C -ATOM 1991 O VAL A 267 32.637 -24.827 -20.402 1.00 11.10 O -ATOM 1992 N SER A 268 31.432 -26.656 -21.016 1.00 11.90 N -ATOM 1993 CA SER A 268 32.562 -27.578 -20.999 1.00 12.06 C -ATOM 1994 CB SER A 268 32.081 -28.979 -21.172 1.00 11.99 C -ATOM 1995 OG SER A 268 31.648 -29.134 -22.523 1.00 12.68 O -ATOM 1996 C SER A 268 33.592 -27.258 -22.079 1.00 11.75 C -ATOM 1997 O SER A 268 33.295 -26.574 -23.113 1.00 11.13 O -ATOM 1998 N PHE A 269 34.756 -27.811 -21.899 1.00 10.66 N -ATOM 1999 CA PHE A 269 35.837 -27.690 -22.896 1.00 11.20 C -ATOM 2000 CB PHE A 269 37.108 -28.343 -22.413 1.00 10.81 C -ATOM 2001 CG PHE A 269 38.254 -28.321 -23.382 1.00 10.67 C -ATOM 2002 CD1 PHE A 269 38.562 -27.197 -24.167 1.00 10.82 C -ATOM 2003 CE1 PHE A 269 39.685 -27.194 -24.974 1.00 10.02 C -ATOM 2004 CZ PHE A 269 40.483 -28.310 -25.040 1.00 10.33 C -ATOM 2005 CD2 PHE A 269 39.105 -29.396 -23.423 1.00 10.22 C -ATOM 2006 CE2 PHE A 269 40.176 -29.431 -24.283 1.00 11.10 C -ATOM 2007 C PHE A 269 35.338 -28.314 -24.200 1.00 11.37 C -ATOM 2008 O PHE A 269 35.490 -27.695 -25.303 1.00 11.49 O -ATOM 2009 N ALA A 270 34.702 -29.493 -24.149 1.00 11.58 N -ATOM 2010 CA ALA A 270 34.164 -30.143 -25.370 1.00 12.24 C -ATOM 2011 CB ALA A 270 33.525 -31.467 -25.021 1.00 12.34 C -ATOM 2012 C ALA A 270 33.192 -29.220 -26.106 1.00 11.65 C -ATOM 2013 O ALA A 270 33.302 -29.080 -27.349 1.00 13.20 O -ATOM 2014 N GLN A 271 32.335 -28.518 -25.426 1.00 11.65 N -ATOM 2015 CA GLN A 271 31.419 -27.599 -26.117 1.00 13.29 C -ATOM 2016 CB GLN A 271 30.329 -27.191 -25.164 1.00 14.92 C -ATOM 2017 CG GLN A 271 29.249 -26.461 -25.885 1.00 16.26 C -ATOM 2018 CD GLN A 271 28.821 -27.054 -27.212 1.00 18.00 C -ATOM 2019 OE1 GLN A 271 28.157 -26.357 -27.991 1.00 24.84 O -ATOM 2020 NE2 GLN A 271 29.139 -28.318 -27.473 1.00 19.00 N -ATOM 2021 C GLN A 271 32.158 -26.397 -26.691 1.00 12.55 C -ATOM 2022 O GLN A 271 31.793 -25.939 -27.801 1.00 12.66 O -ATOM 2023 N HIS A 272 33.107 -25.823 -25.954 1.00 10.85 N -ATOM 2024 CA HIS A 272 33.958 -24.752 -26.510 1.00 9.90 C -ATOM 2025 CB HIS A 272 34.905 -24.214 -25.438 1.00 9.69 C -ATOM 2026 CG HIS A 272 34.187 -23.379 -24.448 1.00 9.57 C -ATOM 2027 ND1 HIS A 272 34.470 -23.446 -23.092 1.00 9.86 N -ATOM 2028 CE1 HIS A 272 33.708 -22.595 -22.474 1.00 10.34 C -ATOM 2029 NE2 HIS A 272 32.897 -21.982 -23.365 1.00 10.04 N -ATOM 2030 CD2 HIS A 272 33.177 -22.514 -24.589 1.00 9.62 C -ATOM 2031 C HIS A 272 34.719 -25.226 -27.753 1.00 10.17 C -ATOM 2032 O HIS A 272 34.892 -24.401 -28.699 1.00 9.90 O -ATOM 2033 N ILE A 273 35.188 -26.451 -27.809 1.00 10.38 N -ATOM 2034 CA ILE A 273 35.840 -26.996 -29.043 1.00 11.56 C -ATOM 2035 CB ILE A 273 36.327 -28.429 -28.792 1.00 12.74 C -ATOM 2036 CG1 ILE A 273 37.517 -28.413 -27.838 1.00 12.70 C -ATOM 2037 CG2 ILE A 273 36.685 -29.130 -30.101 1.00 12.50 C -ATOM 2038 CD1 ILE A 273 37.939 -29.754 -27.316 1.00 13.40 C -ATOM 2039 C ILE A 273 34.849 -26.962 -30.199 1.00 11.78 C -ATOM 2040 O ILE A 273 35.170 -26.497 -31.287 1.00 10.94 O -ATOM 2041 N ASN A 274 33.619 -27.357 -29.948 1.00 11.95 N -ATOM 2042 CA ASN A 274 32.570 -27.388 -30.998 1.00 13.66 C -ATOM 2043 CB ASN A 274 31.377 -28.199 -30.474 1.00 16.16 C -ATOM 2044 CG ASN A 274 31.734 -29.635 -30.060 1.00 16.57 C -ATOM 2045 OD1 ASN A 274 32.727 -30.247 -30.501 1.00 19.82 O -ATOM 2046 ND2 ASN A 274 30.954 -30.190 -29.129 1.00 16.39 N -ATOM 2047 C ASN A 274 32.281 -25.942 -31.440 1.00 12.79 C -ATOM 2048 O ASN A 274 31.893 -25.757 -32.632 1.00 13.08 O -ATOM 2049 N GLN A 275 32.505 -24.943 -30.559 1.00 11.54 N -ATOM 2050 CA GLN A 275 32.295 -23.490 -30.852 1.00 11.14 C -ATOM 2051 CB GLN A 275 31.826 -22.789 -29.575 1.00 11.25 C -ATOM 2052 CG GLN A 275 30.451 -23.309 -29.170 1.00 13.43 C -ATOM 2053 CD GLN A 275 29.970 -22.993 -27.777 1.00 15.83 C -ATOM 2054 OE1 GLN A 275 30.696 -22.497 -26.914 1.00 15.59 O -ATOM 2055 NE2 GLN A 275 28.703 -23.290 -27.549 1.00 19.26 N -ATOM 2056 C GLN A 275 33.555 -22.844 -31.464 1.00 9.12 C -ATOM 2057 O GLN A 275 33.531 -21.623 -31.640 1.00 9.75 O -ATOM 2058 N LYS A 276 34.563 -23.627 -31.770 1.00 8.93 N -ATOM 2059 CA LYS A 276 35.774 -23.182 -32.518 1.00 8.68 C -ATOM 2060 CB LYS A 276 35.435 -22.673 -33.920 1.00 9.36 C -ATOM 2061 CG LYS A 276 34.733 -23.697 -34.821 1.00 11.45 C -ATOM 2062 CD LYS A 276 35.567 -24.928 -35.099 1.00 14.40 C -ATOM 2063 CE LYS A 276 34.901 -25.803 -36.137 1.00 16.72 C -ATOM 2064 NZ LYS A 276 35.407 -27.184 -36.117 1.00 17.98 N -ATOM 2065 C LYS A 276 36.577 -22.138 -31.738 1.00 7.76 C -ATOM 2066 O LYS A 276 37.156 -21.220 -32.328 1.00 8.16 O -ATOM 2067 N ILE A 277 36.635 -22.289 -30.418 1.00 7.57 N -ATOM 2068 CA ILE A 277 37.398 -21.375 -29.529 1.00 7.35 C -ATOM 2069 CB ILE A 277 36.632 -21.233 -28.211 1.00 7.72 C -ATOM 2070 CG1 ILE A 277 35.277 -20.559 -28.427 1.00 7.55 C -ATOM 2071 CG2 ILE A 277 37.474 -20.482 -27.219 1.00 8.14 C -ATOM 2072 CD1 ILE A 277 34.257 -20.835 -27.318 1.00 8.85 C -ATOM 2073 C ILE A 277 38.787 -21.967 -29.320 1.00 7.12 C -ATOM 2074 O ILE A 277 38.925 -23.111 -28.806 1.00 7.91 O -ATOM 2075 N ASN A 278 39.805 -21.208 -29.645 1.00 6.53 N -ATOM 2076 CA ASN A 278 41.169 -21.711 -29.394 1.00 7.06 C -ATOM 2077 CB ASN A 278 42.193 -20.839 -30.081 1.00 7.01 C -ATOM 2078 CG ASN A 278 42.166 -20.966 -31.593 1.00 7.22 C -ATOM 2079 OD1 ASN A 278 41.743 -20.025 -32.286 1.00 6.61 O -ATOM 2080 ND2 ASN A 278 42.691 -22.060 -32.127 1.00 7.90 N -ATOM 2081 C ASN A 278 41.525 -21.707 -27.921 1.00 6.96 C -ATOM 2082 O ASN A 278 42.119 -22.741 -27.481 1.00 7.92 O -ATOM 2083 N LEU A 279 41.202 -20.653 -27.193 1.00 6.52 N -ATOM 2084 CA LEU A 279 41.634 -20.564 -25.785 1.00 6.94 C -ATOM 2085 CB LEU A 279 42.620 -19.405 -25.610 1.00 6.75 C -ATOM 2086 CG LEU A 279 43.843 -19.423 -26.548 1.00 6.94 C -ATOM 2087 CD1 LEU A 279 44.700 -18.171 -26.369 1.00 7.57 C -ATOM 2088 CD2 LEU A 279 44.735 -20.684 -26.441 1.00 7.36 C -ATOM 2089 C LEU A 279 40.409 -20.317 -24.925 1.00 7.20 C -ATOM 2090 O LEU A 279 39.845 -19.255 -24.974 1.00 7.17 O -ATOM 2091 N SER A 280 39.990 -21.322 -24.171 1.00 6.86 N -ATOM 2092 CA SER A 280 38.799 -21.253 -23.294 1.00 7.92 C -ATOM 2093 CB SER A 280 38.012 -22.537 -23.353 1.00 8.38 C -ATOM 2094 OG SER A 280 37.358 -22.672 -24.592 1.00 10.13 O -ATOM 2095 C SER A 280 39.291 -20.990 -21.878 1.00 7.30 C -ATOM 2096 O SER A 280 39.880 -21.911 -21.274 1.00 7.60 O -ATOM 2097 N ALA A 281 39.066 -19.796 -21.341 1.00 7.14 N -ATOM 2098 CA ALA A 281 39.674 -19.451 -20.040 1.00 7.81 C -ATOM 2099 CB ALA A 281 39.878 -17.964 -19.993 1.00 8.15 C -ATOM 2100 C ALA A 281 38.734 -19.894 -18.920 1.00 7.52 C -ATOM 2101 O ALA A 281 37.589 -19.541 -18.888 1.00 8.61 O -ATOM 2102 N TYR A 282 39.269 -20.654 -17.988 1.00 7.39 N -ATOM 2103 CA TYR A 282 38.542 -21.139 -16.813 1.00 7.50 C -ATOM 2104 CB TYR A 282 38.419 -22.652 -16.856 1.00 7.95 C -ATOM 2105 CG TYR A 282 37.547 -23.173 -17.951 1.00 8.61 C -ATOM 2106 CD1 TYR A 282 38.099 -23.525 -19.156 1.00 8.84 C -ATOM 2107 CE1 TYR A 282 37.322 -24.071 -20.154 1.00 8.83 C -ATOM 2108 CZ TYR A 282 35.980 -24.314 -19.935 1.00 9.46 C -ATOM 2109 OH TYR A 282 35.248 -24.900 -20.934 1.00 10.38 O -ATOM 2110 CE2 TYR A 282 35.397 -24.009 -18.720 1.00 9.48 C -ATOM 2111 CD2 TYR A 282 36.197 -23.443 -17.729 1.00 9.17 C -ATOM 2112 C TYR A 282 39.283 -20.778 -15.540 1.00 8.02 C -ATOM 2113 O TYR A 282 40.486 -21.009 -15.399 1.00 7.95 O -ATOM 2114 N TYR A 283 38.522 -20.311 -14.560 1.00 7.78 N -ATOM 2115 CA TYR A 283 39.104 -20.157 -13.199 1.00 9.05 C -ATOM 2116 CB TYR A 283 38.042 -19.654 -12.246 1.00 9.21 C -ATOM 2117 CG TYR A 283 37.553 -18.280 -12.570 1.00 9.91 C -ATOM 2118 CD1 TYR A 283 38.413 -17.211 -12.482 1.00 10.49 C -ATOM 2119 CE1 TYR A 283 38.002 -15.929 -12.768 1.00 11.61 C -ATOM 2120 CZ TYR A 283 36.692 -15.695 -13.142 1.00 12.05 C -ATOM 2121 OH TYR A 283 36.284 -14.412 -13.385 1.00 13.72 O -ATOM 2122 CE2 TYR A 283 35.789 -16.747 -13.231 1.00 11.44 C -ATOM 2123 CD2 TYR A 283 36.246 -18.033 -12.988 1.00 10.28 C -ATOM 2124 C TYR A 283 39.638 -21.512 -12.714 1.00 8.68 C -ATOM 2125 O TYR A 283 40.757 -21.602 -12.185 1.00 9.02 O -ATOM 2126 N ARG A 284 38.796 -22.531 -12.805 1.00 8.79 N -ATOM 2127 CA ARG A 284 39.100 -23.920 -12.344 1.00 9.63 C -ATOM 2128 CB ARG A 284 37.849 -24.528 -11.705 1.00 10.62 C -ATOM 2129 CG ARG A 284 37.261 -23.664 -10.589 1.00 12.38 C -ATOM 2130 CD ARG A 284 35.864 -24.126 -10.136 1.00 13.89 C -ATOM 2131 NE ARG A 284 35.920 -25.475 -9.560 1.00 15.11 N -ATOM 2132 CZ ARG A 284 34.866 -26.200 -9.236 1.00 14.56 C -ATOM 2133 NH1 ARG A 284 33.643 -25.730 -9.443 1.00 12.38 N -ATOM 2134 NH2 ARG A 284 35.013 -27.409 -8.714 1.00 17.65 N -ATOM 2135 C ARG A 284 39.595 -24.721 -13.550 1.00 9.22 C -ATOM 2136 O ARG A 284 38.911 -25.675 -14.035 1.00 10.38 O -ATOM 2137 N PHE A 285 40.780 -24.393 -14.039 1.00 8.94 N -ATOM 2138 CA PHE A 285 41.284 -24.937 -15.306 1.00 9.34 C -ATOM 2139 CB PHE A 285 42.523 -24.162 -15.748 1.00 7.95 C -ATOM 2140 CG PHE A 285 43.578 -23.987 -14.698 1.00 8.99 C -ATOM 2141 CD1 PHE A 285 44.531 -24.968 -14.459 1.00 9.93 C -ATOM 2142 CE1 PHE A 285 45.464 -24.788 -13.447 1.00 10.67 C -ATOM 2143 CZ PHE A 285 45.410 -23.681 -12.626 1.00 10.48 C -ATOM 2144 CD2 PHE A 285 43.554 -22.853 -13.895 1.00 9.05 C -ATOM 2145 CE2 PHE A 285 44.467 -22.705 -12.853 1.00 9.78 C -ATOM 2146 C PHE A 285 41.570 -26.435 -15.152 1.00 9.18 C -ATOM 2147 O PHE A 285 41.343 -27.174 -16.146 1.00 8.79 O -ATOM 2148 N ALA A 286 42.052 -26.926 -14.003 1.00 9.65 N -ATOM 2149 CA ALA A 286 42.480 -28.348 -13.935 1.00 10.56 C -ATOM 2150 CB ALA A 286 43.267 -28.643 -12.679 1.00 11.25 C -ATOM 2151 C ALA A 286 41.263 -29.258 -14.036 1.00 10.78 C -ATOM 2152 O ALA A 286 41.411 -30.376 -14.550 1.00 12.04 O -ATOM 2153 N ALA A 287 40.093 -28.764 -13.651 1.00 10.65 N -ATOM 2154 CA ALA A 287 38.847 -29.542 -13.625 1.00 11.40 C -ATOM 2155 CB ALA A 287 37.813 -28.890 -12.757 1.00 12.40 C -ATOM 2156 C ALA A 287 38.309 -29.725 -15.039 1.00 11.15 C -ATOM 2157 O ALA A 287 37.340 -30.509 -15.192 1.00 13.08 O -ATOM 2158 N GLN A 288 38.872 -29.062 -16.048 1.00 9.88 N -ATOM 2159 CA GLN A 288 38.330 -29.125 -17.427 1.00 10.99 C -ATOM 2160 CB GLN A 288 38.368 -27.774 -18.140 1.00 11.18 C -ATOM 2161 CG GLN A 288 37.940 -26.614 -17.258 1.00 12.25 C -ATOM 2162 CD GLN A 288 36.578 -26.783 -16.657 1.00 12.43 C -ATOM 2163 OE1 GLN A 288 35.680 -27.299 -17.288 1.00 14.17 O -ATOM 2164 NE2 GLN A 288 36.418 -26.367 -15.420 1.00 12.85 N -ATOM 2165 C GLN A 288 39.167 -30.096 -18.235 1.00 10.74 C -ATOM 2166 O GLN A 288 40.393 -30.098 -18.136 1.00 13.41 O -ATOM 2167 N SER A 289 38.501 -30.851 -19.094 1.00 11.17 N -ATOM 2168 CA SER A 289 39.160 -31.769 -20.034 1.00 11.96 C -ATOM 2169 CB SER A 289 39.828 -32.913 -19.304 1.00 12.36 C -ATOM 2170 OG SER A 289 38.841 -33.723 -18.675 1.00 15.29 O -ATOM 2171 C SER A 289 38.083 -32.282 -20.985 1.00 10.66 C -ATOM 2172 O SER A 289 36.916 -32.169 -20.704 1.00 12.55 O -ATOM 2173 N ALA A 290 38.546 -32.828 -22.091 1.00 11.51 N -ATOM 2174 CA ALA A 290 37.680 -33.534 -23.066 1.00 12.14 C -ATOM 2175 CB ALA A 290 37.402 -32.665 -24.270 1.00 11.62 C -ATOM 2176 C ALA A 290 38.430 -34.791 -23.468 1.00 12.87 C -ATOM 2177 O ALA A 290 39.486 -34.691 -24.020 1.00 12.74 O -ATOM 2178 N GLY A 291 37.862 -35.969 -23.166 1.00 14.04 N -ATOM 2179 CA GLY A 291 38.521 -37.279 -23.405 1.00 14.56 C -ATOM 2180 C GLY A 291 39.909 -37.346 -22.773 1.00 14.42 C -ATOM 2181 O GLY A 291 40.799 -37.925 -23.337 1.00 14.53 O -ATOM 2182 N GLY A 292 40.067 -36.680 -21.628 1.00 14.61 N -ATOM 2183 CA GLY A 292 41.309 -36.715 -20.834 1.00 14.39 C -ATOM 2184 C GLY A 292 42.304 -35.676 -21.276 1.00 13.88 C -ATOM 2185 O GLY A 292 43.355 -35.587 -20.667 1.00 16.06 O -ATOM 2186 N TYR A 293 41.963 -34.873 -22.284 1.00 13.52 N -ATOM 2187 CA TYR A 293 42.893 -33.842 -22.789 1.00 12.64 C -ATOM 2188 CB TYR A 293 43.009 -34.035 -24.295 1.00 13.96 C -ATOM 2189 CG TYR A 293 43.562 -35.379 -24.721 1.00 15.05 C -ATOM 2190 CD1 TYR A 293 44.777 -35.819 -24.243 1.00 16.16 C -ATOM 2191 CE1 TYR A 293 45.306 -37.039 -24.650 1.00 16.85 C -ATOM 2192 CZ TYR A 293 44.629 -37.807 -25.582 1.00 17.19 C -ATOM 2193 OH TYR A 293 45.138 -39.014 -25.981 1.00 21.71 O -ATOM 2194 CE2 TYR A 293 43.405 -37.396 -26.064 1.00 17.11 C -ATOM 2195 CD2 TYR A 293 42.878 -36.188 -25.626 1.00 16.58 C -ATOM 2196 C TYR A 293 42.427 -32.421 -22.431 1.00 10.56 C -ATOM 2197 O TYR A 293 41.218 -32.144 -22.327 1.00 12.09 O -ATOM 2198 N ARG A 294 43.415 -31.554 -22.238 1.00 9.96 N -ATOM 2199 CA ARG A 294 43.200 -30.101 -22.151 1.00 9.42 C -ATOM 2200 CB ARG A 294 43.844 -29.563 -20.884 1.00 9.29 C -ATOM 2201 CG ARG A 294 43.284 -30.180 -19.618 1.00 10.99 C -ATOM 2202 CD ARG A 294 43.491 -29.258 -18.421 1.00 11.13 C -ATOM 2203 NE ARG A 294 43.241 -29.992 -17.165 1.00 11.36 N -ATOM 2204 CZ ARG A 294 44.115 -30.798 -16.575 1.00 12.46 C -ATOM 2205 NH1 ARG A 294 45.337 -30.890 -17.009 1.00 11.60 N -ATOM 2206 NH2 ARG A 294 43.781 -31.446 -15.479 1.00 13.44 N -ATOM 2207 C ARG A 294 43.756 -29.363 -23.380 1.00 9.71 C -ATOM 2208 O ARG A 294 43.550 -28.135 -23.449 1.00 9.80 O -ATOM 2209 N ILE A 295 44.412 -30.063 -24.298 1.00 9.61 N -ATOM 2210 CA ILE A 295 44.920 -29.489 -25.567 1.00 9.80 C -ATOM 2211 CB ILE A 295 46.408 -29.125 -25.493 1.00 10.15 C -ATOM 2212 CG1 ILE A 295 46.674 -28.097 -24.389 1.00 10.04 C -ATOM 2213 CG2 ILE A 295 46.894 -28.652 -26.857 1.00 10.19 C -ATOM 2214 CD1 ILE A 295 48.078 -27.594 -24.411 1.00 11.52 C -ATOM 2215 C ILE A 295 44.631 -30.524 -26.650 1.00 9.51 C -ATOM 2216 O ILE A 295 45.068 -31.679 -26.531 1.00 10.54 O -ATOM 2217 N ARG A 296 43.902 -30.144 -27.686 1.00 9.97 N -ATOM 2218 CA ARG A 296 43.619 -31.102 -28.771 1.00 10.52 C -ATOM 2219 CB ARG A 296 42.478 -32.052 -28.423 1.00 13.03 C -ATOM 2220 CG ARG A 296 41.260 -31.429 -27.784 1.00 14.91 C -ATOM 2221 CD ARG A 296 40.124 -32.425 -27.834 1.00 16.89 C -ATOM 2222 NE ARG A 296 39.519 -32.304 -29.163 1.00 17.94 N -ATOM 2223 CZ ARG A 296 38.324 -32.777 -29.521 1.00 20.19 C -ATOM 2224 NH1 ARG A 296 37.559 -33.418 -28.650 1.00 21.21 N -ATOM 2225 NH2 ARG A 296 37.896 -32.582 -30.760 1.00 20.14 N -ATOM 2226 C ARG A 296 43.258 -30.323 -30.014 1.00 10.51 C -ATOM 2227 O ARG A 296 42.784 -29.188 -29.935 1.00 9.52 O -ATOM 2228 N PRO A 297 43.435 -30.948 -31.188 1.00 9.89 N -ATOM 2229 CA PRO A 297 42.918 -30.355 -32.413 1.00 11.22 C -ATOM 2230 CB PRO A 297 43.303 -31.383 -33.501 1.00 10.73 C -ATOM 2231 CG PRO A 297 44.386 -32.229 -32.895 1.00 11.16 C -ATOM 2232 CD PRO A 297 44.085 -32.262 -31.405 1.00 10.52 C -ATOM 2233 C PRO A 297 41.397 -30.223 -32.331 1.00 10.91 C -ATOM 2234 O PRO A 297 40.810 -31.021 -31.675 1.00 11.94 O -ATOM 2235 N PHE A 298 40.801 -29.262 -33.038 1.00 12.13 N -ATOM 2236 CA PHE A 298 39.325 -29.178 -33.126 1.00 13.50 C -ATOM 2237 CB PHE A 298 38.918 -27.980 -33.991 1.00 12.41 C -ATOM 2238 CG PHE A 298 39.207 -26.638 -33.367 1.00 11.22 C -ATOM 2239 CD1 PHE A 298 38.486 -26.218 -32.278 1.00 11.19 C -ATOM 2240 CE1 PHE A 298 38.733 -24.982 -31.685 1.00 11.24 C -ATOM 2241 CZ PHE A 298 39.712 -24.169 -32.172 1.00 11.45 C -ATOM 2242 CD2 PHE A 298 40.180 -25.792 -33.868 1.00 11.72 C -ATOM 2243 CE2 PHE A 298 40.452 -24.578 -33.251 1.00 11.45 C -ATOM 2244 C PHE A 298 38.759 -30.477 -33.695 1.00 17.90 C -ATOM 2245 O PHE A 298 37.672 -30.856 -33.283 1.00 25.13 O -ATOM 2246 OXT PHE A 298 39.383 -31.114 -34.524 1.00 20.64 O -TER 2247 PHE A 298 -ATOM 2248 N GLN B 2 74.776 -33.525 -1.918 1.00 28.01 N -ATOM 2249 CA GLN B 2 76.244 -33.223 -1.840 1.00 27.73 C -ATOM 2250 CB GLN B 2 76.830 -33.795 -0.546 1.00 29.86 C -ATOM 2251 CG GLN B 2 78.161 -33.180 -0.129 1.00 30.23 C -ATOM 2252 CD GLN B 2 78.830 -33.926 1.002 1.00 30.40 C -ATOM 2253 OE1 GLN B 2 79.540 -34.906 0.788 1.00 35.53 O -ATOM 2254 NE2 GLN B 2 78.657 -33.433 2.217 1.00 31.05 N -ATOM 2255 C GLN B 2 76.936 -33.810 -3.078 1.00 23.88 C -ATOM 2256 O GLN B 2 76.913 -35.044 -3.261 1.00 21.96 O -ATOM 2257 N GLU B 3 77.541 -32.969 -3.920 1.00 18.69 N -ATOM 2258 CA GLU B 3 78.174 -33.436 -5.181 1.00 17.01 C -ATOM 2259 CB GLU B 3 78.534 -32.254 -6.086 1.00 14.74 C -ATOM 2260 CG GLU B 3 79.702 -31.446 -5.580 1.00 13.02 C -ATOM 2261 CD GLU B 3 80.248 -30.454 -6.581 1.00 11.57 C -ATOM 2262 OE1 GLU B 3 79.989 -30.644 -7.783 1.00 14.02 O -ATOM 2263 OE2 GLU B 3 80.917 -29.523 -6.161 1.00 12.02 O -ATOM 2264 C GLU B 3 79.401 -34.302 -4.866 1.00 16.25 C -ATOM 2265 O GLU B 3 79.954 -34.246 -3.727 1.00 15.94 O -ATOM 2266 N SER B 4 79.861 -35.032 -5.875 1.00 16.33 N -ATOM 2267 CA SER B 4 81.016 -35.944 -5.759 1.00 18.39 C -ATOM 2268 CB SER B 4 80.587 -37.298 -5.190 1.00 19.65 C -ATOM 2269 OG SER B 4 79.481 -37.810 -5.922 1.00 23.22 O -ATOM 2270 C SER B 4 81.680 -36.059 -7.125 1.00 17.80 C -ATOM 2271 O SER B 4 81.886 -37.156 -7.640 1.00 19.19 O -ATOM 2272 N PRO B 5 82.094 -34.939 -7.754 1.00 15.69 N -ATOM 2273 CA PRO B 5 82.890 -35.023 -8.965 1.00 14.62 C -ATOM 2274 CB PRO B 5 82.976 -33.557 -9.408 1.00 14.17 C -ATOM 2275 CG PRO B 5 82.994 -32.831 -8.089 1.00 14.86 C -ATOM 2276 CD PRO B 5 81.921 -33.544 -7.292 1.00 14.79 C -ATOM 2277 C PRO B 5 84.242 -35.586 -8.540 1.00 13.54 C -ATOM 2278 O PRO B 5 84.680 -35.409 -7.389 1.00 15.55 O -ATOM 2279 N ALA B 6 84.895 -36.285 -9.454 1.00 14.59 N -ATOM 2280 CA ALA B 6 86.147 -36.996 -9.130 1.00 13.80 C -ATOM 2281 CB ALA B 6 86.679 -37.711 -10.374 1.00 13.53 C -ATOM 2282 C ALA B 6 87.201 -36.077 -8.480 1.00 13.81 C -ATOM 2283 O ALA B 6 88.010 -36.518 -7.651 1.00 12.80 O -ATOM 2284 N PHE B 7 87.275 -34.793 -8.825 1.00 11.69 N -ATOM 2285 CA PHE B 7 88.434 -33.937 -8.397 1.00 12.30 C -ATOM 2286 CB PHE B 7 88.651 -32.757 -9.347 1.00 11.67 C -ATOM 2287 CG PHE B 7 87.609 -31.676 -9.307 1.00 11.08 C -ATOM 2288 CD1 PHE B 7 87.650 -30.706 -8.309 1.00 9.89 C -ATOM 2289 CE1 PHE B 7 86.706 -29.699 -8.268 1.00 9.98 C -ATOM 2290 CZ PHE B 7 85.709 -29.656 -9.199 1.00 9.73 C -ATOM 2291 CD2 PHE B 7 86.563 -31.656 -10.200 1.00 12.10 C -ATOM 2292 CE2 PHE B 7 85.621 -30.645 -10.167 1.00 10.96 C -ATOM 2293 C PHE B 7 88.390 -33.456 -6.924 1.00 11.72 C -ATOM 2294 O PHE B 7 89.388 -32.856 -6.445 1.00 12.29 O -ATOM 2295 N ILE B 8 87.313 -33.714 -6.174 1.00 11.84 N -ATOM 2296 CA ILE B 8 87.183 -33.238 -4.767 1.00 11.41 C -ATOM 2297 CB ILE B 8 85.778 -32.673 -4.528 1.00 10.58 C -ATOM 2298 CG1 ILE B 8 85.533 -31.508 -5.491 1.00 10.81 C -ATOM 2299 CG2 ILE B 8 85.576 -32.273 -3.060 1.00 11.13 C -ATOM 2300 CD1 ILE B 8 84.248 -30.760 -5.238 1.00 12.01 C -ATOM 2301 C ILE B 8 87.527 -34.383 -3.822 1.00 11.85 C -ATOM 2302 O ILE B 8 86.813 -35.411 -3.814 1.00 12.88 O -ATOM 2303 N ASP B 9 88.506 -34.209 -2.989 1.00 10.90 N -ATOM 2304 CA ASP B 9 88.744 -35.194 -1.914 1.00 10.83 C -ATOM 2305 CB ASP B 9 90.006 -34.805 -1.181 1.00 11.30 C -ATOM 2306 CG ASP B 9 90.415 -35.753 -0.095 1.00 12.90 C -ATOM 2307 OD1 ASP B 9 89.548 -36.533 0.384 1.00 11.44 O -ATOM 2308 OD2 ASP B 9 91.580 -35.703 0.260 1.00 14.36 O -ATOM 2309 C ASP B 9 87.516 -35.213 -1.021 1.00 11.17 C -ATOM 2310 O ASP B 9 87.167 -34.189 -0.419 1.00 11.42 O -ATOM 2311 N PRO B 10 86.908 -36.391 -0.761 1.00 12.44 N -ATOM 2312 CA PRO B 10 85.718 -36.415 0.084 1.00 12.01 C -ATOM 2313 CB PRO B 10 85.292 -37.897 0.073 1.00 13.04 C -ATOM 2314 CG PRO B 10 85.873 -38.452 -1.178 1.00 13.57 C -ATOM 2315 CD PRO B 10 87.142 -37.676 -1.453 1.00 12.75 C -ATOM 2316 C PRO B 10 85.962 -35.962 1.531 1.00 11.60 C -ATOM 2317 O PRO B 10 85.033 -35.491 2.161 1.00 11.77 O -ATOM 2318 N ALA B 11 87.203 -36.006 2.010 1.00 10.66 N -ATOM 2319 CA ALA B 11 87.540 -35.503 3.362 1.00 10.26 C -ATOM 2320 CB ALA B 11 88.956 -35.851 3.760 1.00 10.46 C -ATOM 2321 C ALA B 11 87.336 -33.985 3.459 1.00 10.46 C -ATOM 2322 O ALA B 11 87.302 -33.438 4.560 1.00 10.65 O -ATOM 2323 N SER B 12 87.245 -33.299 2.318 1.00 9.96 N -ATOM 2324 CA SER B 12 87.081 -31.827 2.272 1.00 9.20 C -ATOM 2325 CB SER B 12 87.095 -31.298 0.848 1.00 9.22 C -ATOM 2326 OG SER B 12 88.279 -31.661 0.193 1.00 10.10 O -ATOM 2327 C SER B 12 85.762 -31.421 2.923 1.00 9.11 C -ATOM 2328 O SER B 12 85.663 -30.350 3.503 1.00 8.95 O -ATOM 2329 N TRP B 13 84.737 -32.244 2.847 1.00 10.05 N -ATOM 2330 CA TRP B 13 83.370 -31.784 3.165 1.00 10.21 C -ATOM 2331 CB TRP B 13 82.398 -32.888 2.742 1.00 11.11 C -ATOM 2332 CG TRP B 13 82.263 -32.946 1.252 1.00 11.40 C -ATOM 2333 CD1 TRP B 13 82.746 -33.904 0.411 1.00 12.13 C -ATOM 2334 NE1 TRP B 13 82.404 -33.629 -0.882 1.00 13.38 N -ATOM 2335 CE2 TRP B 13 81.744 -32.431 -0.921 1.00 10.94 C -ATOM 2336 CD2 TRP B 13 81.610 -31.987 0.411 1.00 11.20 C -ATOM 2337 CE3 TRP B 13 80.935 -30.795 0.678 1.00 11.41 C -ATOM 2338 CZ3 TRP B 13 80.393 -30.082 -0.362 1.00 11.46 C -ATOM 2339 CH2 TRP B 13 80.495 -30.565 -1.668 1.00 11.89 C -ATOM 2340 CZ2 TRP B 13 81.165 -31.738 -1.976 1.00 12.15 C -ATOM 2341 C TRP B 13 83.226 -31.384 4.623 1.00 9.82 C -ATOM 2342 O TRP B 13 82.627 -30.368 4.893 1.00 10.24 O -ATOM 2343 N ASN B 14 83.847 -32.127 5.522 1.00 10.02 N -ATOM 2344 CA ASN B 14 83.747 -31.868 6.975 1.00 10.45 C -ATOM 2345 CB ASN B 14 83.579 -33.204 7.719 1.00 12.67 C -ATOM 2346 CG ASN B 14 83.118 -33.048 9.153 1.00 19.12 C -ATOM 2347 OD1 ASN B 14 82.536 -32.025 9.509 1.00 23.05 O -ATOM 2348 ND2 ASN B 14 83.373 -34.054 9.980 1.00 24.90 N -ATOM 2349 C ASN B 14 84.978 -31.057 7.431 1.00 10.25 C -ATOM 2350 O ASN B 14 85.185 -30.939 8.633 1.00 12.34 O -ATOM 2351 N THR B 15 85.701 -30.417 6.503 1.00 9.55 N -ATOM 2352 CA THR B 15 86.827 -29.539 6.852 1.00 9.11 C -ATOM 2353 CB THR B 15 87.936 -29.763 5.837 1.00 8.93 C -ATOM 2354 OG1 THR B 15 88.271 -31.161 5.798 1.00 9.95 O -ATOM 2355 CG2 THR B 15 89.170 -28.979 6.183 1.00 8.81 C -ATOM 2356 C THR B 15 86.341 -28.097 6.811 1.00 8.73 C -ATOM 2357 O THR B 15 85.673 -27.693 5.883 1.00 8.00 O -ATOM 2358 N PRO B 16 86.706 -27.259 7.788 1.00 8.90 N -ATOM 2359 CA PRO B 16 86.458 -25.825 7.684 1.00 8.71 C -ATOM 2360 CB PRO B 16 87.273 -25.252 8.855 1.00 9.08 C -ATOM 2361 CG PRO B 16 87.240 -26.352 9.894 1.00 9.49 C -ATOM 2362 CD PRO B 16 87.443 -27.591 9.019 1.00 9.25 C -ATOM 2363 C PRO B 16 86.995 -25.270 6.360 1.00 7.54 C -ATOM 2364 O PRO B 16 88.071 -25.677 5.919 1.00 7.60 O -ATOM 2365 N PHE B 17 86.327 -24.251 5.825 1.00 7.20 N -ATOM 2366 CA PHE B 17 86.731 -23.761 4.492 1.00 7.02 C -ATOM 2367 CB PHE B 17 85.747 -22.675 4.054 1.00 7.02 C -ATOM 2368 CG PHE B 17 85.955 -22.190 2.649 1.00 7.26 C -ATOM 2369 CD1 PHE B 17 85.578 -23.010 1.593 1.00 7.41 C -ATOM 2370 CE1 PHE B 17 85.738 -22.595 0.279 1.00 7.71 C -ATOM 2371 CZ PHE B 17 86.278 -21.339 0.006 1.00 7.30 C -ATOM 2372 CD2 PHE B 17 86.494 -20.931 2.341 1.00 7.14 C -ATOM 2373 CE2 PHE B 17 86.656 -20.513 1.026 1.00 7.50 C -ATOM 2374 C PHE B 17 88.187 -23.275 4.496 1.00 6.59 C -ATOM 2375 O PHE B 17 88.912 -23.471 3.526 1.00 6.46 O -ATOM 2376 N ASN B 18 88.603 -22.626 5.568 1.00 6.62 N -ATOM 2377 CA ASN B 18 89.982 -22.106 5.704 1.00 7.13 C -ATOM 2378 CB ASN B 18 90.130 -21.165 6.884 1.00 6.97 C -ATOM 2379 CG ASN B 18 89.710 -21.786 8.201 1.00 7.09 C -ATOM 2380 OD1 ASN B 18 88.545 -22.202 8.364 1.00 7.54 O -ATOM 2381 ND2 ASN B 18 90.626 -21.850 9.148 1.00 8.29 N -ATOM 2382 C ASN B 18 90.987 -23.238 5.795 1.00 7.21 C -ATOM 2383 O ASN B 18 92.177 -22.972 5.668 1.00 7.34 O -ATOM 2384 N GLY B 19 90.550 -24.461 6.097 1.00 7.23 N -ATOM 2385 CA GLY B 19 91.445 -25.640 6.133 1.00 7.64 C -ATOM 2386 C GLY B 19 91.517 -26.396 4.823 1.00 7.44 C -ATOM 2387 O GLY B 19 92.091 -27.534 4.807 1.00 8.64 O -ATOM 2388 N ILE B 20 90.931 -25.867 3.768 1.00 7.29 N -ATOM 2389 CA ILE B 20 90.851 -26.547 2.460 1.00 7.63 C -ATOM 2390 CB ILE B 20 89.409 -26.635 1.936 1.00 7.52 C -ATOM 2391 CG1 ILE B 20 88.544 -27.414 2.923 1.00 7.69 C -ATOM 2392 CG2 ILE B 20 89.396 -27.277 0.567 1.00 7.60 C -ATOM 2393 CD1 ILE B 20 87.069 -27.324 2.611 1.00 7.67 C -ATOM 2394 C ILE B 20 91.793 -25.832 1.485 1.00 6.83 C -ATOM 2395 O ILE B 20 91.752 -24.563 1.374 1.00 7.03 O -ATOM 2396 N ALA B 21 92.616 -26.612 0.785 1.00 7.62 N -ATOM 2397 CA ALA B 21 93.472 -26.131 -0.307 1.00 7.68 C -ATOM 2398 CB ALA B 21 94.805 -26.763 -0.231 1.00 8.02 C -ATOM 2399 C ALA B 21 92.809 -26.435 -1.636 1.00 7.62 C -ATOM 2400 O ALA B 21 92.214 -27.524 -1.829 1.00 7.68 O -ATOM 2401 N GLN B 22 92.901 -25.510 -2.579 1.00 7.24 N -ATOM 2402 CA GLN B 22 92.228 -25.613 -3.890 1.00 7.12 C -ATOM 2403 CB GLN B 22 90.994 -24.726 -4.030 1.00 7.52 C -ATOM 2404 CG GLN B 22 89.986 -24.918 -2.928 1.00 7.45 C -ATOM 2405 CD GLN B 22 88.747 -24.116 -3.272 1.00 7.29 C -ATOM 2406 OE1 GLN B 22 88.287 -24.104 -4.428 1.00 8.19 O -ATOM 2407 NE2 GLN B 22 88.159 -23.480 -2.279 1.00 7.98 N -ATOM 2408 C GLN B 22 93.182 -25.182 -4.990 1.00 6.81 C -ATOM 2409 O GLN B 22 93.972 -24.223 -4.813 1.00 7.83 O -ATOM 2410 N VAL B 23 93.085 -25.850 -6.111 1.00 6.94 N -ATOM 2411 CA VAL B 23 93.481 -25.285 -7.415 1.00 7.01 C -ATOM 2412 CB VAL B 23 93.647 -26.397 -8.451 1.00 7.55 C -ATOM 2413 CG1 VAL B 23 94.102 -25.830 -9.771 1.00 7.72 C -ATOM 2414 CG2 VAL B 23 94.639 -27.410 -7.942 1.00 8.56 C -ATOM 2415 C VAL B 23 92.424 -24.286 -7.843 1.00 7.15 C -ATOM 2416 O VAL B 23 91.235 -24.608 -7.886 1.00 7.33 O -ATOM 2417 N ALA B 24 92.874 -23.094 -8.188 1.00 6.90 N -ATOM 2418 CA ALA B 24 92.010 -22.016 -8.707 1.00 6.50 C -ATOM 2419 CB ALA B 24 92.134 -20.817 -7.811 1.00 7.24 C -ATOM 2420 C ALA B 24 92.451 -21.673 -10.112 1.00 6.80 C -ATOM 2421 O ALA B 24 93.576 -21.954 -10.511 1.00 6.60 O -ATOM 2422 N CYS B 25 91.557 -21.090 -10.903 1.00 6.88 N -ATOM 2423 CA CYS B 25 91.989 -20.609 -12.236 1.00 7.85 C -ATOM 2424 CB CYS B 25 90.819 -20.415 -13.185 1.00 8.53 C -ATOM 2425 SG CYS B 25 89.965 -18.826 -13.102 1.00 9.55 S -ATOM 2426 C CYS B 25 92.718 -19.282 -12.088 1.00 8.22 C -ATOM 2427 O CYS B 25 92.578 -18.581 -11.046 1.00 11.57 O -ATOM 2428 N HIS B 26 93.403 -18.859 -13.107 1.00 7.86 N -ATOM 2429 CA HIS B 26 93.933 -17.499 -13.236 1.00 7.95 C -ATOM 2430 CB HIS B 26 95.462 -17.498 -13.271 1.00 8.64 C -ATOM 2431 CG HIS B 26 96.050 -16.141 -13.220 1.00 9.44 C -ATOM 2432 ND1 HIS B 26 97.413 -15.983 -13.158 1.00 10.28 N -ATOM 2433 CE1 HIS B 26 97.698 -14.683 -13.128 1.00 12.19 C -ATOM 2434 NE2 HIS B 26 96.574 -14.004 -13.152 1.00 13.50 N -ATOM 2435 CD2 HIS B 26 95.523 -14.897 -13.201 1.00 12.75 C -ATOM 2436 C HIS B 26 93.335 -16.945 -14.527 1.00 7.66 C -ATOM 2437 O HIS B 26 93.647 -17.427 -15.631 1.00 7.52 O -ATOM 2438 N ASN B 27 92.482 -15.927 -14.455 1.00 7.35 N -ATOM 2439 CA ASN B 27 91.937 -15.248 -15.658 1.00 8.05 C -ATOM 2440 CB ASN B 27 93.005 -14.406 -16.357 1.00 8.83 C -ATOM 2441 CG ASN B 27 93.444 -13.208 -15.509 1.00 9.65 C -ATOM 2442 OD1 ASN B 27 92.782 -12.824 -14.557 1.00 10.22 O -ATOM 2443 ND2 ASN B 27 94.633 -12.678 -15.766 1.00 14.05 N -ATOM 2444 C ASN B 27 91.236 -16.246 -16.585 1.00 7.70 C -ATOM 2445 O ASN B 27 91.371 -16.087 -17.815 1.00 8.80 O -ATOM 2446 N CYS B 28 90.448 -17.180 -16.075 1.00 7.64 N -ATOM 2447 CA CYS B 28 89.836 -18.235 -16.912 1.00 8.62 C -ATOM 2448 CB CYS B 28 89.421 -19.464 -16.123 1.00 8.72 C -ATOM 2449 SG CYS B 28 88.422 -19.136 -14.657 1.00 10.46 S -ATOM 2450 C CYS B 28 88.628 -17.730 -17.686 1.00 8.47 C -ATOM 2451 O CYS B 28 88.046 -18.548 -18.385 1.00 9.62 O -ATOM 2452 N TYR B 29 88.297 -16.452 -17.616 1.00 8.53 N -ATOM 2453 CA TYR B 29 87.322 -15.797 -18.533 1.00 8.09 C -ATOM 2454 CB TYR B 29 86.841 -14.457 -17.934 1.00 8.40 C -ATOM 2455 CG TYR B 29 87.918 -13.420 -17.933 1.00 8.82 C -ATOM 2456 CD1 TYR B 29 88.178 -12.652 -19.052 1.00 9.25 C -ATOM 2457 CE1 TYR B 29 89.249 -11.799 -19.091 1.00 9.56 C -ATOM 2458 CZ TYR B 29 90.069 -11.665 -17.981 1.00 9.21 C -ATOM 2459 OH TYR B 29 91.129 -10.783 -18.090 1.00 9.83 O -ATOM 2460 CE2 TYR B 29 89.809 -12.410 -16.838 1.00 8.79 C -ATOM 2461 CD2 TYR B 29 88.753 -13.294 -16.838 1.00 8.32 C -ATOM 2462 C TYR B 29 87.959 -15.594 -19.918 1.00 8.28 C -ATOM 2463 O TYR B 29 87.250 -15.271 -20.908 1.00 9.09 O -ATOM 2464 N GLU B 30 89.271 -15.710 -20.052 1.00 8.92 N -ATOM 2465 CA GLU B 30 89.959 -15.481 -21.348 1.00 10.82 C -ATOM 2466 CB GLU B 30 91.436 -15.156 -21.136 1.00 11.87 C -ATOM 2467 CG GLU B 30 91.647 -13.823 -20.450 1.00 13.87 C -ATOM 2468 CD GLU B 30 93.069 -13.314 -20.526 1.00 15.45 C -ATOM 2469 OE1 GLU B 30 93.487 -12.906 -21.622 1.00 16.84 O -ATOM 2470 OE2 GLU B 30 93.774 -13.404 -19.516 1.00 18.92 O -ATOM 2471 C GLU B 30 89.773 -16.718 -22.219 1.00 11.52 C -ATOM 2472 O GLU B 30 89.901 -17.851 -21.768 1.00 11.53 O -ATOM 2473 N LYS B 31 89.489 -16.479 -23.490 1.00 12.00 N -ATOM 2474 CA LYS B 31 89.117 -17.554 -24.427 1.00 12.96 C -ATOM 2475 CB LYS B 31 88.741 -16.959 -25.789 1.00 14.16 C -ATOM 2476 CG LYS B 31 87.463 -16.137 -25.800 1.00 16.50 C -ATOM 2477 CD LYS B 31 87.182 -15.541 -27.158 1.00 19.86 C -ATOM 2478 CE LYS B 31 85.941 -14.681 -27.155 1.00 22.55 C -ATOM 2479 NZ LYS B 31 85.614 -14.194 -28.513 1.00 26.06 N -ATOM 2480 C LYS B 31 90.261 -18.566 -24.588 1.00 13.62 C -ATOM 2481 O LYS B 31 89.959 -19.697 -24.840 1.00 14.11 O -ATOM 2482 N GLN B 32 91.516 -18.157 -24.469 1.00 13.40 N -ATOM 2483 CA GLN B 32 92.709 -19.045 -24.590 1.00 13.21 C -ATOM 2484 CB GLN B 32 94.000 -18.214 -24.703 1.00 15.00 C -ATOM 2485 CG GLN B 32 94.363 -17.492 -23.405 1.00 16.76 C -ATOM 2486 CD GLN B 32 94.008 -16.032 -23.427 1.00 17.00 C -ATOM 2487 OE1 GLN B 32 93.009 -15.644 -24.041 1.00 17.64 O -ATOM 2488 NE2 GLN B 32 94.803 -15.229 -22.722 1.00 17.95 N -ATOM 2489 C GLN B 32 92.830 -19.998 -23.390 1.00 12.06 C -ATOM 2490 O GLN B 32 93.633 -20.949 -23.508 1.00 13.73 O -ATOM 2491 N TYR B 33 92.120 -19.761 -22.280 1.00 10.63 N -ATOM 2492 CA TYR B 33 92.240 -20.638 -21.090 1.00 10.51 C -ATOM 2493 CB TYR B 33 92.553 -19.829 -19.821 1.00 9.99 C -ATOM 2494 CG TYR B 33 93.803 -18.976 -19.929 1.00 9.35 C -ATOM 2495 CD1 TYR B 33 94.965 -19.485 -20.499 1.00 11.34 C -ATOM 2496 CE1 TYR B 33 96.102 -18.712 -20.650 1.00 12.27 C -ATOM 2497 CZ TYR B 33 96.095 -17.383 -20.262 1.00 11.82 C -ATOM 2498 OH TYR B 33 97.240 -16.646 -20.409 1.00 14.34 O -ATOM 2499 CE2 TYR B 33 94.959 -16.864 -19.674 1.00 11.02 C -ATOM 2500 CD2 TYR B 33 93.830 -17.650 -19.539 1.00 10.30 C -ATOM 2501 C TYR B 33 91.010 -21.543 -20.922 1.00 10.52 C -ATOM 2502 O TYR B 33 91.118 -22.535 -20.165 1.00 12.80 O -ATOM 2503 N ALA B 34 89.860 -21.248 -21.498 1.00 10.33 N -ATOM 2504 CA ALA B 34 88.706 -22.170 -21.444 1.00 10.40 C -ATOM 2505 CB ALA B 34 87.999 -22.084 -20.113 1.00 10.19 C -ATOM 2506 C ALA B 34 87.786 -21.809 -22.601 1.00 10.84 C -ATOM 2507 O ALA B 34 87.671 -20.622 -22.977 1.00 11.37 O -ATOM 2508 N ASN B 35 87.157 -22.814 -23.203 1.00 12.88 N -ATOM 2509 CA ASN B 35 86.256 -22.541 -24.349 1.00 13.29 C -ATOM 2510 CB ASN B 35 85.960 -23.766 -25.201 1.00 15.42 C -ATOM 2511 CG ASN B 35 87.192 -24.241 -25.938 1.00 17.63 C -ATOM 2512 OD1 ASN B 35 88.103 -23.469 -26.236 1.00 19.60 O -ATOM 2513 ND2 ASN B 35 87.247 -25.534 -26.210 1.00 19.16 N -ATOM 2514 C ASN B 35 85.002 -21.820 -23.868 1.00 13.66 C -ATOM 2515 O ASN B 35 84.530 -20.986 -24.636 1.00 14.52 O -ATOM 2516 N THR B 36 84.495 -22.102 -22.661 1.00 12.14 N -ATOM 2517 CA THR B 36 83.357 -21.362 -22.058 1.00 12.15 C -ATOM 2518 CB THR B 36 82.037 -22.132 -22.135 1.00 13.32 C -ATOM 2519 OG1 THR B 36 82.187 -23.329 -21.355 1.00 13.69 O -ATOM 2520 CG2 THR B 36 81.612 -22.378 -23.566 1.00 14.28 C -ATOM 2521 C THR B 36 83.675 -21.103 -20.595 1.00 10.18 C -ATOM 2522 O THR B 36 84.431 -21.894 -19.965 1.00 11.11 O -ATOM 2523 N PHE B 37 83.148 -20.046 -20.027 1.00 10.22 N -ATOM 2524 CA PHE B 37 83.414 -19.773 -18.599 1.00 10.71 C -ATOM 2525 CB PHE B 37 82.843 -18.414 -18.227 1.00 10.50 C -ATOM 2526 CG PHE B 37 83.325 -17.873 -16.904 1.00 10.09 C -ATOM 2527 CD1 PHE B 37 84.675 -17.715 -16.625 1.00 9.32 C -ATOM 2528 CE1 PHE B 37 85.097 -17.208 -15.409 1.00 9.57 C -ATOM 2529 CZ PHE B 37 84.173 -16.809 -14.484 1.00 9.81 C -ATOM 2530 CD2 PHE B 37 82.409 -17.462 -15.946 1.00 10.82 C -ATOM 2531 CE2 PHE B 37 82.841 -16.960 -14.729 1.00 10.85 C -ATOM 2532 C PHE B 37 82.838 -20.900 -17.753 1.00 10.75 C -ATOM 2533 O PHE B 37 83.488 -21.400 -16.807 1.00 10.78 O -ATOM 2534 N SER B 38 81.641 -21.352 -18.120 1.00 11.60 N -ATOM 2535 CA SER B 38 80.925 -22.402 -17.353 1.00 12.84 C -ATOM 2536 CB SER B 38 79.552 -22.653 -17.932 1.00 15.31 C -ATOM 2537 OG SER B 38 79.639 -23.195 -19.234 1.00 19.23 O -ATOM 2538 C SER B 38 81.761 -23.679 -17.296 1.00 12.04 C -ATOM 2539 O SER B 38 81.697 -24.360 -16.271 1.00 11.01 O -ATOM 2540 N SER B 39 82.490 -24.005 -18.355 1.00 11.25 N -ATOM 2541 CA SER B 39 83.211 -25.291 -18.459 1.00 10.75 C -ATOM 2542 CB SER B 39 83.817 -25.483 -19.819 1.00 12.11 C -ATOM 2543 OG SER B 39 84.875 -24.576 -20.060 1.00 11.94 O -ATOM 2544 C SER B 39 84.298 -25.337 -17.380 1.00 9.74 C -ATOM 2545 O SER B 39 84.716 -26.447 -17.036 1.00 10.37 O -ATOM 2546 N VAL B 40 84.760 -24.201 -16.872 1.00 9.39 N -ATOM 2547 CA VAL B 40 85.835 -24.186 -15.847 1.00 8.54 C -ATOM 2548 CB VAL B 40 86.211 -22.747 -15.482 1.00 8.57 C -ATOM 2549 CG1 VAL B 40 87.170 -22.689 -14.293 1.00 9.32 C -ATOM 2550 CG2 VAL B 40 86.756 -22.034 -16.710 1.00 8.88 C -ATOM 2551 C VAL B 40 85.366 -24.984 -14.631 1.00 8.87 C -ATOM 2552 O VAL B 40 86.181 -25.618 -13.928 1.00 8.27 O -ATOM 2553 N LEU B 41 84.063 -24.938 -14.369 1.00 9.07 N -ATOM 2554 CA LEU B 41 83.472 -25.613 -13.179 1.00 9.81 C -ATOM 2555 CB LEU B 41 82.077 -25.035 -12.896 1.00 9.79 C -ATOM 2556 CG LEU B 41 82.145 -23.605 -12.350 1.00 9.88 C -ATOM 2557 CD1 LEU B 41 80.849 -22.843 -12.541 1.00 11.00 C -ATOM 2558 CD2 LEU B 41 82.495 -23.643 -10.865 1.00 10.38 C -ATOM 2559 C LEU B 41 83.467 -27.142 -13.370 1.00 9.98 C -ATOM 2560 O LEU B 41 83.108 -27.869 -12.452 1.00 10.59 O -ATOM 2561 N ASP B 42 83.866 -27.664 -14.532 1.00 10.24 N -ATOM 2562 CA ASP B 42 84.133 -29.124 -14.646 1.00 11.08 C -ATOM 2563 CB ASP B 42 84.260 -29.591 -16.101 1.00 12.80 C -ATOM 2564 CG ASP B 42 83.044 -29.363 -16.982 1.00 13.59 C -ATOM 2565 OD1 ASP B 42 81.953 -29.146 -16.469 1.00 13.74 O -ATOM 2566 OD2 ASP B 42 83.209 -29.440 -18.206 1.00 17.05 O -ATOM 2567 C ASP B 42 85.427 -29.495 -13.920 1.00 11.10 C -ATOM 2568 O ASP B 42 85.616 -30.706 -13.703 1.00 11.92 O -ATOM 2569 N SER B 43 86.303 -28.557 -13.572 1.00 10.31 N -ATOM 2570 CA SER B 43 87.670 -28.845 -13.086 1.00 9.51 C -ATOM 2571 CB SER B 43 88.701 -28.322 -14.062 1.00 10.57 C -ATOM 2572 OG SER B 43 88.511 -28.960 -15.320 1.00 13.81 O -ATOM 2573 C SER B 43 87.927 -28.272 -11.694 1.00 9.12 C -ATOM 2574 O SER B 43 88.775 -28.799 -10.991 1.00 8.96 O -ATOM 2575 N VAL B 44 87.392 -27.069 -11.431 1.00 8.05 N -ATOM 2576 CA VAL B 44 87.702 -26.322 -10.184 1.00 7.47 C -ATOM 2577 CB VAL B 44 88.863 -25.317 -10.382 1.00 7.99 C -ATOM 2578 CG1 VAL B 44 90.181 -25.970 -10.749 1.00 8.29 C -ATOM 2579 CG2 VAL B 44 88.506 -24.215 -11.403 1.00 8.61 C -ATOM 2580 C VAL B 44 86.454 -25.648 -9.656 1.00 7.89 C -ATOM 2581 O VAL B 44 85.427 -25.632 -10.353 1.00 7.80 O -ATOM 2582 N ARG B 45 86.575 -25.116 -8.432 1.00 7.23 N -ATOM 2583 CA ARG B 45 85.466 -24.366 -7.796 1.00 7.35 C -ATOM 2584 CB ARG B 45 85.004 -25.088 -6.524 1.00 7.47 C -ATOM 2585 CG ARG B 45 84.411 -26.461 -6.795 1.00 7.63 C -ATOM 2586 CD ARG B 45 82.953 -26.319 -7.188 1.00 7.92 C -ATOM 2587 NE ARG B 45 82.364 -27.579 -7.696 1.00 8.85 N -ATOM 2588 CZ ARG B 45 82.513 -28.021 -8.923 1.00 9.74 C -ATOM 2589 NH1 ARG B 45 83.164 -27.323 -9.832 1.00 9.08 N -ATOM 2590 NH2 ARG B 45 81.955 -29.166 -9.261 1.00 10.44 N -ATOM 2591 C ARG B 45 85.851 -22.911 -7.488 1.00 6.89 C -ATOM 2592 O ARG B 45 85.079 -22.242 -6.810 1.00 8.31 O -ATOM 2593 N THR B 46 86.995 -22.443 -7.974 1.00 6.70 N -ATOM 2594 CA THR B 46 87.438 -21.043 -7.748 1.00 7.12 C -ATOM 2595 CB THR B 46 88.568 -20.970 -6.722 1.00 7.62 C -ATOM 2596 OG1 THR B 46 88.070 -21.499 -5.496 1.00 8.26 O -ATOM 2597 CG2 THR B 46 89.003 -19.539 -6.491 1.00 7.62 C -ATOM 2598 C THR B 46 87.817 -20.447 -9.089 1.00 7.52 C -ATOM 2599 O THR B 46 88.715 -20.981 -9.770 1.00 7.34 O -ATOM 2600 N LEU B 47 87.131 -19.392 -9.474 1.00 7.77 N -ATOM 2601 CA LEU B 47 87.204 -18.766 -10.821 1.00 8.83 C -ATOM 2602 CB LEU B 47 85.837 -18.880 -11.506 1.00 11.78 C -ATOM 2603 CG LEU B 47 85.468 -20.225 -12.147 1.00 13.45 C -ATOM 2604 CD1 LEU B 47 85.471 -21.417 -11.206 1.00 15.63 C -ATOM 2605 CD2 LEU B 47 84.129 -20.129 -12.830 1.00 15.19 C -ATOM 2606 C LEU B 47 87.593 -17.296 -10.695 1.00 8.42 C -ATOM 2607 O LEU B 47 87.889 -16.830 -9.579 1.00 8.67 O -ATOM 2608 N GLU B 48 87.703 -16.595 -11.814 1.00 7.40 N -ATOM 2609 CA GLU B 48 88.189 -15.201 -11.815 1.00 7.28 C -ATOM 2610 CB GLU B 48 89.716 -15.154 -11.891 1.00 7.11 C -ATOM 2611 CG GLU B 48 90.270 -13.736 -11.817 1.00 7.88 C -ATOM 2612 CD GLU B 48 91.772 -13.671 -11.674 1.00 7.94 C -ATOM 2613 OE1 GLU B 48 92.472 -14.694 -11.885 1.00 8.36 O -ATOM 2614 OE2 GLU B 48 92.285 -12.546 -11.359 1.00 10.51 O -ATOM 2615 C GLU B 48 87.574 -14.453 -12.983 1.00 7.44 C -ATOM 2616 O GLU B 48 87.520 -15.003 -14.129 1.00 8.29 O -ATOM 2617 N LEU B 49 87.217 -13.194 -12.727 1.00 6.83 N -ATOM 2618 CA LEU B 49 86.733 -12.251 -13.770 1.00 7.10 C -ATOM 2619 CB LEU B 49 85.232 -12.037 -13.577 1.00 8.36 C -ATOM 2620 CG LEU B 49 84.377 -13.231 -13.966 1.00 8.43 C -ATOM 2621 CD1 LEU B 49 82.984 -13.106 -13.395 1.00 10.46 C -ATOM 2622 CD2 LEU B 49 84.309 -13.389 -15.465 1.00 8.57 C -ATOM 2623 C LEU B 49 87.462 -10.946 -13.570 1.00 7.64 C -ATOM 2624 O LEU B 49 87.474 -10.434 -12.434 1.00 8.87 O -ATOM 2625 N ASP B 50 87.955 -10.378 -14.657 1.00 7.75 N -ATOM 2626 CA ASP B 50 88.523 -9.012 -14.630 1.00 7.77 C -ATOM 2627 CB ASP B 50 89.736 -8.902 -15.535 1.00 8.69 C -ATOM 2628 CG ASP B 50 90.978 -9.652 -15.075 1.00 9.10 C -ATOM 2629 OD1 ASP B 50 91.027 -10.079 -13.913 1.00 11.17 O -ATOM 2630 OD2 ASP B 50 91.910 -9.748 -15.879 1.00 10.37 O -ATOM 2631 C ASP B 50 87.452 -8.065 -15.165 1.00 7.36 C -ATOM 2632 O ASP B 50 86.891 -8.323 -16.262 1.00 8.90 O -ATOM 2633 N PHE B 51 87.145 -7.014 -14.422 1.00 6.90 N -ATOM 2634 CA PHE B 51 85.986 -6.187 -14.835 1.00 7.35 C -ATOM 2635 CB PHE B 51 84.753 -6.482 -13.992 1.00 7.68 C -ATOM 2636 CG PHE B 51 84.745 -6.060 -12.552 1.00 7.63 C -ATOM 2637 CD1 PHE B 51 85.381 -6.795 -11.557 1.00 7.42 C -ATOM 2638 CE1 PHE B 51 85.373 -6.344 -10.258 1.00 7.82 C -ATOM 2639 CZ PHE B 51 84.678 -5.221 -9.904 1.00 8.21 C -ATOM 2640 CD2 PHE B 51 84.062 -4.902 -12.181 1.00 8.20 C -ATOM 2641 CE2 PHE B 51 84.021 -4.499 -10.869 1.00 8.21 C -ATOM 2642 C PHE B 51 86.342 -4.708 -14.869 1.00 7.37 C -ATOM 2643 O PHE B 51 87.000 -4.159 -13.989 1.00 7.08 O -ATOM 2644 N TRP B 52 85.794 -4.088 -15.916 1.00 7.60 N -ATOM 2645 CA TRP B 52 86.056 -2.681 -16.295 1.00 7.80 C -ATOM 2646 CB TRP B 52 86.640 -2.626 -17.710 1.00 8.23 C -ATOM 2647 CG TRP B 52 87.978 -3.302 -17.795 1.00 9.07 C -ATOM 2648 CD1 TRP B 52 88.251 -4.643 -17.875 1.00 9.10 C -ATOM 2649 NE1 TRP B 52 89.606 -4.860 -17.914 1.00 10.27 N -ATOM 2650 CE2 TRP B 52 90.243 -3.654 -17.858 1.00 10.59 C -ATOM 2651 CD2 TRP B 52 89.255 -2.650 -17.798 1.00 9.69 C -ATOM 2652 CE3 TRP B 52 89.659 -1.319 -17.750 1.00 11.68 C -ATOM 2653 CZ3 TRP B 52 90.997 -1.036 -17.712 1.00 12.45 C -ATOM 2654 CH2 TRP B 52 91.950 -2.041 -17.747 1.00 12.64 C -ATOM 2655 CZ2 TRP B 52 91.604 -3.357 -17.862 1.00 11.58 C -ATOM 2656 C TRP B 52 84.767 -1.873 -16.249 1.00 7.41 C -ATOM 2657 O TRP B 52 83.699 -2.346 -16.579 1.00 8.08 O -ATOM 2658 N ASP B 53 84.901 -0.624 -15.830 1.00 8.44 N -ATOM 2659 CA ASP B 53 83.780 0.346 -15.862 1.00 8.15 C -ATOM 2660 CB ASP B 53 84.099 1.570 -14.993 1.00 8.40 C -ATOM 2661 CG ASP B 53 83.859 1.305 -13.526 1.00 8.12 C -ATOM 2662 OD1 ASP B 53 84.438 0.288 -13.047 1.00 8.75 O -ATOM 2663 OD2 ASP B 53 83.140 2.109 -12.870 1.00 9.56 O -ATOM 2664 C ASP B 53 83.458 0.777 -17.292 1.00 8.77 C -ATOM 2665 O ASP B 53 82.268 0.985 -17.637 1.00 9.86 O -ATOM 2666 N GLN B 54 84.489 1.005 -18.067 1.00 8.84 N -ATOM 2667 CA GLN B 54 84.321 1.663 -19.376 1.00 10.57 C -ATOM 2668 CB GLN B 54 85.281 2.836 -19.496 1.00 12.18 C -ATOM 2669 CG GLN B 54 85.382 3.727 -18.287 1.00 18.64 C -ATOM 2670 CD GLN B 54 84.412 4.858 -18.407 1.00 22.93 C -ATOM 2671 OE1 GLN B 54 83.434 4.798 -19.162 1.00 23.99 O -ATOM 2672 NE2 GLN B 54 84.715 5.951 -17.719 1.00 28.31 N -ATOM 2673 C GLN B 54 84.624 0.695 -20.514 1.00 9.70 C -ATOM 2674 O GLN B 54 85.257 -0.379 -20.276 1.00 10.08 O -ATOM 2675 N ARG B 55 84.171 1.016 -21.716 1.00 10.01 N -ATOM 2676 CA ARG B 55 84.317 0.137 -22.907 1.00 10.58 C -ATOM 2677 CB ARG B 55 83.423 0.653 -24.035 1.00 11.55 C -ATOM 2678 CG ARG B 55 83.327 -0.225 -25.271 1.00 14.59 C -ATOM 2679 CD ARG B 55 82.367 0.488 -26.226 1.00 19.04 C -ATOM 2680 NE ARG B 55 82.200 -0.094 -27.555 1.00 24.43 N -ATOM 2681 CZ ARG B 55 81.312 0.323 -28.476 1.00 26.58 C -ATOM 2682 NH1 ARG B 55 80.484 1.320 -28.201 1.00 29.97 N -ATOM 2683 NH2 ARG B 55 81.251 -0.263 -29.664 1.00 28.51 N -ATOM 2684 C ARG B 55 85.771 0.125 -23.329 1.00 10.33 C -ATOM 2685 O ARG B 55 86.253 -0.903 -23.829 1.00 11.07 O -ATOM 2686 N ASP B 56 86.444 1.255 -23.190 1.00 11.66 N -ATOM 2687 CA ASP B 56 87.913 1.396 -23.302 1.00 12.74 C -ATOM 2688 CB ASP B 56 88.350 2.148 -24.568 1.00 12.37 C -ATOM 2689 CG ASP B 56 87.803 3.557 -24.732 1.00 11.41 C -ATOM 2690 OD1 ASP B 56 87.284 4.149 -23.774 1.00 12.33 O -ATOM 2691 OD2 ASP B 56 87.994 4.097 -25.842 1.00 14.06 O -ATOM 2692 C ASP B 56 88.373 2.049 -22.009 1.00 13.74 C -ATOM 2693 O ASP B 56 87.668 1.903 -20.998 1.00 16.64 O -ATOM 2694 N ALA B 57 89.489 2.748 -21.994 1.00 14.20 N -ATOM 2695 CA ALA B 57 90.037 3.327 -20.760 1.00 14.62 C -ATOM 2696 CB ALA B 57 91.506 3.634 -20.947 1.00 15.52 C -ATOM 2697 C ALA B 57 89.272 4.577 -20.311 1.00 14.83 C -ATOM 2698 O ALA B 57 89.389 4.926 -19.141 1.00 18.16 O -ATOM 2699 N VAL B 58 88.539 5.262 -21.192 1.00 12.94 N -ATOM 2700 CA VAL B 58 88.090 6.676 -20.975 1.00 12.86 C -ATOM 2701 CB VAL B 58 88.981 7.673 -21.764 1.00 13.18 C -ATOM 2702 CG1 VAL B 58 88.752 7.565 -23.262 1.00 13.08 C -ATOM 2703 CG2 VAL B 58 88.822 9.126 -21.335 1.00 13.67 C -ATOM 2704 C VAL B 58 86.612 6.867 -21.346 1.00 11.84 C -ATOM 2705 O VAL B 58 86.073 7.999 -21.171 1.00 11.62 O -ATOM 2706 N SER B 59 85.937 5.859 -21.847 1.00 10.33 N -ATOM 2707 CA SER B 59 84.617 6.077 -22.488 1.00 9.55 C -ATOM 2708 CB SER B 59 84.796 6.625 -23.877 1.00 9.90 C -ATOM 2709 OG SER B 59 85.346 5.643 -24.702 1.00 11.19 O -ATOM 2710 C SER B 59 83.739 4.822 -22.540 1.00 8.72 C -ATOM 2711 O SER B 59 84.304 3.689 -22.550 1.00 9.74 O -ATOM 2712 N GLY B 60 82.431 4.995 -22.630 1.00 8.72 N -ATOM 2713 CA GLY B 60 81.508 3.917 -23.008 1.00 9.46 C -ATOM 2714 C GLY B 60 80.899 3.185 -21.833 1.00 9.89 C -ATOM 2715 O GLY B 60 80.166 2.224 -22.057 1.00 11.72 O -ATOM 2716 N GLY B 61 81.104 3.654 -20.601 1.00 9.28 N -ATOM 2717 CA GLY B 61 80.395 3.062 -19.454 1.00 10.27 C -ATOM 2718 C GLY B 61 78.885 3.307 -19.470 1.00 9.79 C -ATOM 2719 O GLY B 61 78.390 4.284 -20.114 1.00 11.91 O -ATOM 2720 N SER B 62 78.121 2.498 -18.755 1.00 11.11 N -ATOM 2721 CA SER B 62 76.684 2.711 -18.526 1.00 11.95 C -ATOM 2722 CB SER B 62 75.834 1.877 -19.420 1.00 13.68 C -ATOM 2723 OG SER B 62 76.207 0.522 -19.358 1.00 15.45 O -ATOM 2724 C SER B 62 76.399 2.395 -17.078 1.00 11.15 C -ATOM 2725 O SER B 62 77.158 1.646 -16.422 1.00 11.26 O -ATOM 2726 N PRO B 63 75.259 2.869 -16.552 1.00 11.55 N -ATOM 2727 CA PRO B 63 74.933 2.558 -15.174 1.00 11.31 C -ATOM 2728 CB PRO B 63 73.607 3.270 -14.910 1.00 12.34 C -ATOM 2729 CG PRO B 63 73.419 4.256 -16.043 1.00 12.70 C -ATOM 2730 CD PRO B 63 74.263 3.752 -17.196 1.00 11.70 C -ATOM 2731 C PRO B 63 74.724 1.061 -14.955 1.00 9.45 C -ATOM 2732 O PRO B 63 74.117 0.399 -15.731 1.00 11.16 O -ATOM 2733 N HIS B 64 75.110 0.583 -13.775 1.00 9.76 N -ATOM 2734 CA HIS B 64 74.698 -0.743 -13.238 1.00 10.69 C -ATOM 2735 CB HIS B 64 73.163 -0.849 -13.114 1.00 10.88 C -ATOM 2736 CG HIS B 64 72.493 0.350 -12.545 1.00 12.84 C -ATOM 2737 ND1 HIS B 64 71.401 0.937 -13.142 1.00 15.93 N -ATOM 2738 CE1 HIS B 64 71.051 2.016 -12.456 1.00 16.36 C -ATOM 2739 NE2 HIS B 64 71.943 2.201 -11.479 1.00 15.88 N -ATOM 2740 CD2 HIS B 64 72.866 1.179 -11.551 1.00 13.96 C -ATOM 2741 C HIS B 64 75.293 -1.860 -14.089 1.00 9.66 C -ATOM 2742 O HIS B 64 74.719 -2.934 -14.112 1.00 12.22 O -ATOM 2743 N HIS B 65 76.364 -1.572 -14.787 1.00 9.62 N -ATOM 2744 CA HIS B 65 76.949 -2.474 -15.796 1.00 9.28 C -ATOM 2745 CB HIS B 65 76.419 -2.014 -17.175 1.00 11.32 C -ATOM 2746 CG HIS B 65 77.108 -2.584 -18.355 1.00 14.41 C -ATOM 2747 ND1 HIS B 65 78.325 -2.119 -18.835 1.00 15.11 N -ATOM 2748 CE1 HIS B 65 78.693 -2.878 -19.851 1.00 15.18 C -ATOM 2749 NE2 HIS B 65 77.729 -3.804 -20.069 1.00 14.70 N -ATOM 2750 CD2 HIS B 65 76.756 -3.632 -19.129 1.00 14.96 C -ATOM 2751 C HIS B 65 78.458 -2.373 -15.739 1.00 8.76 C -ATOM 2752 O HIS B 65 78.975 -1.275 -15.520 1.00 8.45 O -ATOM 2753 N TRP B 66 79.129 -3.506 -15.924 1.00 8.02 N -ATOM 2754 CA TRP B 66 80.590 -3.536 -16.114 1.00 8.19 C -ATOM 2755 CB TRP B 66 81.322 -3.943 -14.826 1.00 7.91 C -ATOM 2756 CG TRP B 66 81.225 -3.001 -13.673 1.00 7.66 C -ATOM 2757 CD1 TRP B 66 82.190 -2.123 -13.307 1.00 7.16 C -ATOM 2758 NE1 TRP B 66 81.792 -1.410 -12.200 1.00 7.08 N -ATOM 2759 CE2 TRP B 66 80.548 -1.796 -11.856 1.00 7.55 C -ATOM 2760 CD2 TRP B 66 80.133 -2.812 -12.752 1.00 7.91 C -ATOM 2761 CE3 TRP B 66 78.874 -3.373 -12.583 1.00 8.37 C -ATOM 2762 CZ3 TRP B 66 78.078 -2.912 -11.552 1.00 8.97 C -ATOM 2763 CH2 TRP B 66 78.531 -1.926 -10.682 1.00 8.21 C -ATOM 2764 CZ2 TRP B 66 79.769 -1.380 -10.778 1.00 8.65 C -ATOM 2765 C TRP B 66 80.937 -4.499 -17.246 1.00 7.96 C -ATOM 2766 O TRP B 66 80.142 -5.450 -17.512 1.00 8.81 O -ATOM 2767 N PHE B 67 82.059 -4.259 -17.871 1.00 7.98 N -ATOM 2768 CA PHE B 67 82.580 -5.119 -18.945 1.00 8.26 C -ATOM 2769 CB PHE B 67 83.339 -4.302 -19.969 1.00 8.81 C -ATOM 2770 CG PHE B 67 82.547 -3.197 -20.614 1.00 9.11 C -ATOM 2771 CD1 PHE B 67 82.441 -1.934 -20.032 1.00 9.85 C -ATOM 2772 CE1 PHE B 67 81.760 -0.907 -20.692 1.00 10.96 C -ATOM 2773 CZ PHE B 67 81.072 -1.165 -21.856 1.00 11.57 C -ATOM 2774 CD2 PHE B 67 81.892 -3.411 -21.824 1.00 10.39 C -ATOM 2775 CE2 PHE B 67 81.165 -2.400 -22.447 1.00 11.53 C -ATOM 2776 C PHE B 67 83.555 -6.147 -18.385 1.00 7.87 C -ATOM 2777 O PHE B 67 84.155 -5.912 -17.307 1.00 8.31 O -ATOM 2778 N VAL B 68 83.750 -7.240 -19.114 1.00 8.01 N -ATOM 2779 CA VAL B 68 84.761 -8.263 -18.726 1.00 8.13 C -ATOM 2780 CB VAL B 68 84.129 -9.592 -18.281 1.00 8.11 C -ATOM 2781 CG1 VAL B 68 85.163 -10.716 -18.186 1.00 8.58 C -ATOM 2782 CG2 VAL B 68 83.383 -9.417 -16.972 1.00 7.94 C -ATOM 2783 C VAL B 68 85.734 -8.433 -19.884 1.00 8.13 C -ATOM 2784 O VAL B 68 85.339 -8.859 -20.982 1.00 8.37 O -ATOM 2785 N ARG B 69 86.982 -8.092 -19.636 1.00 7.67 N -ATOM 2786 CA ARG B 69 88.106 -8.224 -20.598 1.00 9.22 C -ATOM 2787 CB ARG B 69 87.995 -7.145 -21.686 1.00 8.56 C -ATOM 2788 CG ARG B 69 88.181 -5.727 -21.164 1.00 8.63 C -ATOM 2789 CD ARG B 69 88.184 -4.751 -22.348 1.00 9.73 C -ATOM 2790 NE ARG B 69 88.474 -3.407 -21.901 1.00 9.63 N -ATOM 2791 CZ ARG B 69 87.560 -2.592 -21.391 1.00 9.36 C -ATOM 2792 NH1 ARG B 69 86.298 -2.963 -21.360 1.00 9.28 N -ATOM 2793 NH2 ARG B 69 87.936 -1.409 -20.915 1.00 9.85 N -ATOM 2794 C ARG B 69 89.407 -8.078 -19.811 1.00 9.08 C -ATOM 2795 O ARG B 69 89.403 -7.596 -18.657 1.00 9.31 O -ATOM 2796 N HIS B 70 90.529 -8.396 -20.431 1.00 10.36 N -ATOM 2797 CA HIS B 70 91.839 -8.326 -19.750 1.00 12.13 C -ATOM 2798 CB HIS B 70 92.794 -9.363 -20.365 1.00 12.71 C -ATOM 2799 CG HIS B 70 94.112 -9.379 -19.656 1.00 15.09 C -ATOM 2800 ND1 HIS B 70 95.296 -9.556 -20.322 1.00 19.98 N -ATOM 2801 CE1 HIS B 70 96.298 -9.558 -19.464 1.00 20.08 C -ATOM 2802 NE2 HIS B 70 95.797 -9.412 -18.246 1.00 20.49 N -ATOM 2803 CD2 HIS B 70 94.430 -9.298 -18.342 1.00 18.12 C -ATOM 2804 C HIS B 70 92.418 -6.912 -19.815 1.00 12.75 C -ATOM 2805 O HIS B 70 92.902 -6.415 -18.803 1.00 15.45 O -ATOM 2806 N ASN B 71 92.436 -6.359 -21.007 1.00 13.63 N -ATOM 2807 CA ASN B 71 93.247 -5.150 -21.298 1.00 14.53 C -ATOM 2808 CB ASN B 71 94.003 -5.322 -22.615 1.00 16.29 C -ATOM 2809 CG ASN B 71 94.885 -6.548 -22.624 1.00 19.54 C -ATOM 2810 OD1 ASN B 71 94.806 -7.368 -23.539 1.00 23.69 O -ATOM 2811 ND2 ASN B 71 95.699 -6.699 -21.597 1.00 18.48 N -ATOM 2812 C ASN B 71 92.362 -3.908 -21.332 1.00 13.03 C -ATOM 2813 O ASN B 71 91.146 -3.987 -21.474 1.00 11.88 O -ATOM 2814 N PRO B 72 92.970 -2.706 -21.210 1.00 14.48 N -ATOM 2815 CA PRO B 72 92.192 -1.467 -21.211 1.00 15.23 C -ATOM 2816 CB PRO B 72 93.190 -0.322 -20.988 1.00 17.40 C -ATOM 2817 CG PRO B 72 94.461 -1.003 -20.506 1.00 17.06 C -ATOM 2818 CD PRO B 72 94.398 -2.465 -20.939 1.00 16.84 C -ATOM 2819 C PRO B 72 91.410 -1.282 -22.508 1.00 17.11 C -ATOM 2820 O PRO B 72 90.347 -0.724 -22.398 1.00 14.92 O -ATOM 2821 N GLY B 73 91.952 -1.751 -23.639 1.00 19.37 N -ATOM 2822 CA GLY B 73 91.292 -1.793 -24.962 1.00 23.60 C -ATOM 2823 C GLY B 73 91.241 -3.206 -25.518 1.00 25.82 C -ATOM 2824 O GLY B 73 92.162 -3.982 -25.239 1.00 28.41 O -ATOM 2825 N THR B 74 90.193 -3.541 -26.271 1.00 29.57 N -ATOM 2826 CA THR B 74 90.031 -4.839 -26.981 1.00 30.85 C -ATOM 2827 CB THR B 74 89.049 -5.762 -26.240 1.00 30.53 C -ATOM 2828 OG1 THR B 74 88.923 -6.979 -26.985 1.00 29.05 O -ATOM 2829 CG2 THR B 74 87.693 -5.125 -25.997 1.00 29.29 C -ATOM 2830 C THR B 74 89.636 -4.517 -28.424 1.00 35.22 C -ATOM 2831 O THR B 74 89.019 -3.453 -28.629 1.00 33.50 O -ATOM 2832 N LEU B 75 90.003 -5.383 -29.375 1.00 40.67 N -ATOM 2833 CA LEU B 75 89.586 -5.291 -30.806 1.00 43.81 C -ATOM 2834 CB LEU B 75 90.530 -6.134 -31.672 1.00 47.83 C -ATOM 2835 CG LEU B 75 92.017 -5.778 -31.578 1.00 50.78 C -ATOM 2836 CD1 LEU B 75 92.849 -6.703 -32.460 1.00 51.98 C -ATOM 2837 CD2 LEU B 75 92.266 -4.318 -31.943 1.00 50.33 C -ATOM 2838 C LEU B 75 88.127 -5.756 -30.962 1.00 43.54 C -ATOM 2839 O LEU B 75 87.597 -5.649 -32.083 1.00 40.11 O -ATOM 2840 N PHE B 76 87.501 -6.257 -29.888 1.00 43.30 N -ATOM 2841 CA PHE B 76 86.034 -6.502 -29.813 1.00 42.86 C -ATOM 2842 CB PHE B 76 85.713 -7.588 -28.778 1.00 44.17 C -ATOM 2843 CG PHE B 76 86.106 -8.981 -29.213 1.00 48.38 C -ATOM 2844 CD1 PHE B 76 85.315 -9.703 -30.101 1.00 48.56 C -ATOM 2845 CE1 PHE B 76 85.687 -10.976 -30.514 1.00 49.00 C -ATOM 2846 CZ PHE B 76 86.853 -11.543 -30.047 1.00 48.07 C -ATOM 2847 CD2 PHE B 76 87.283 -9.566 -28.761 1.00 48.81 C -ATOM 2848 CE2 PHE B 76 87.650 -10.842 -29.170 1.00 48.18 C -ATOM 2849 C PHE B 76 85.344 -5.150 -29.574 1.00 40.24 C -ATOM 2850 O PHE B 76 85.685 -4.439 -28.596 1.00 36.12 O -ATOM 2851 N GLN B 77 84.422 -4.799 -30.477 1.00 39.51 N -ATOM 2852 CA GLN B 77 83.695 -3.500 -30.515 1.00 38.48 C -ATOM 2853 CB GLN B 77 82.651 -3.509 -31.640 1.00 42.19 C -ATOM 2854 CG GLN B 77 82.785 -2.344 -32.610 1.00 45.25 C -ATOM 2855 CD GLN B 77 84.026 -2.479 -33.456 1.00 48.03 C -ATOM 2856 OE1 GLN B 77 84.190 -3.448 -34.196 1.00 50.75 O -ATOM 2857 NE2 GLN B 77 84.913 -1.501 -33.341 1.00 48.59 N -ATOM 2858 C GLN B 77 83.019 -3.257 -29.159 1.00 34.02 C -ATOM 2859 O GLN B 77 83.062 -2.108 -28.661 1.00 32.33 O -ATOM 2860 N SER B 78 82.453 -4.326 -28.589 1.00 28.64 N -ATOM 2861 CA SER B 78 81.548 -4.351 -27.409 1.00 23.47 C -ATOM 2862 CB SER B 78 80.992 -5.723 -27.253 1.00 22.65 C -ATOM 2863 OG SER B 78 82.044 -6.608 -26.888 1.00 23.99 O -ATOM 2864 C SER B 78 82.261 -3.971 -26.100 1.00 18.98 C -ATOM 2865 O SER B 78 81.537 -3.661 -25.141 1.00 23.26 O -ATOM 2866 N GLY B 79 83.600 -4.026 -26.043 1.00 17.71 N -ATOM 2867 CA GLY B 79 84.384 -3.899 -24.793 1.00 13.62 C -ATOM 2868 C GLY B 79 84.400 -5.159 -23.922 1.00 11.81 C -ATOM 2869 O GLY B 79 85.008 -5.122 -22.837 1.00 11.07 O -ATOM 2870 N ASN B 80 83.719 -6.214 -24.342 1.00 11.25 N -ATOM 2871 CA ASN B 80 83.800 -7.557 -23.709 1.00 10.91 C -ATOM 2872 CB ASN B 80 82.421 -8.154 -23.501 1.00 11.26 C -ATOM 2873 CG ASN B 80 81.574 -7.300 -22.606 1.00 10.71 C -ATOM 2874 OD1 ASN B 80 81.990 -6.976 -21.485 1.00 10.22 O -ATOM 2875 ND2 ASN B 80 80.377 -6.990 -23.063 1.00 11.16 N -ATOM 2876 C ASN B 80 84.698 -8.455 -24.547 1.00 10.69 C -ATOM 2877 O ASN B 80 84.605 -8.424 -25.812 1.00 12.96 O -ATOM 2878 N ASP B 81 85.661 -9.095 -23.905 1.00 10.17 N -ATOM 2879 CA ASP B 81 86.561 -10.073 -24.548 1.00 10.08 C -ATOM 2880 CB ASP B 81 87.860 -9.386 -24.928 1.00 11.31 C -ATOM 2881 CG ASP B 81 88.828 -10.245 -25.712 1.00 13.32 C -ATOM 2882 OD1 ASP B 81 88.578 -11.461 -25.816 1.00 13.51 O -ATOM 2883 OD2 ASP B 81 89.807 -9.688 -26.223 1.00 16.92 O -ATOM 2884 C ASP B 81 86.723 -11.252 -23.582 1.00 9.76 C -ATOM 2885 O ASP B 81 87.589 -11.198 -22.678 1.00 10.38 O -ATOM 2886 N ASN B 82 85.877 -12.249 -23.735 1.00 9.93 N -ATOM 2887 CA ASN B 82 85.758 -13.318 -22.731 1.00 9.02 C -ATOM 2888 CB ASN B 82 85.143 -12.791 -21.436 1.00 9.67 C -ATOM 2889 CG ASN B 82 83.711 -12.361 -21.633 1.00 9.96 C -ATOM 2890 OD1 ASN B 82 82.867 -13.169 -22.023 1.00 10.63 O -ATOM 2891 ND2 ASN B 82 83.463 -11.079 -21.386 1.00 10.24 N -ATOM 2892 C ASN B 82 84.966 -14.468 -23.316 1.00 9.97 C -ATOM 2893 O ASN B 82 84.464 -14.376 -24.449 1.00 10.43 O -ATOM 2894 N ASN B 83 84.956 -15.567 -22.560 1.00 9.33 N -ATOM 2895 CA ASN B 83 84.302 -16.824 -22.941 1.00 9.76 C -ATOM 2896 CB ASN B 83 85.222 -17.996 -22.642 1.00 9.80 C -ATOM 2897 CG ASN B 83 85.650 -18.059 -21.191 1.00 9.00 C -ATOM 2898 OD1 ASN B 83 85.000 -17.413 -20.368 1.00 10.36 O -ATOM 2899 ND2 ASN B 83 86.729 -18.771 -20.877 1.00 9.71 N -ATOM 2900 C ASN B 83 82.950 -17.015 -22.256 1.00 10.35 C -ATOM 2901 O ASN B 83 82.481 -18.148 -22.186 1.00 9.86 O -ATOM 2902 N CYS B 84 82.343 -15.948 -21.761 1.00 10.23 N -ATOM 2903 CA CYS B 84 81.013 -16.032 -21.136 1.00 11.32 C -ATOM 2904 CB CYS B 84 80.800 -14.848 -20.220 1.00 10.44 C -ATOM 2905 SG CYS B 84 82.113 -14.730 -18.987 1.00 10.33 S -ATOM 2906 C CYS B 84 79.903 -16.056 -22.190 1.00 11.32 C -ATOM 2907 O CYS B 84 80.130 -15.636 -23.328 1.00 11.65 O -ATOM 2908 N THR B 85 78.715 -16.483 -21.803 1.00 13.15 N -ATOM 2909 CA THR B 85 77.558 -16.500 -22.735 1.00 15.39 C -ATOM 2910 CB THR B 85 76.411 -17.364 -22.215 1.00 17.90 C -ATOM 2911 OG1 THR B 85 75.815 -16.739 -21.093 1.00 19.58 O -ATOM 2912 CG2 THR B 85 76.880 -18.752 -21.862 1.00 17.79 C -ATOM 2913 C THR B 85 77.065 -15.079 -23.039 1.00 17.30 C -ATOM 2914 O THR B 85 77.279 -14.154 -22.233 1.00 18.69 O -ATOM 2915 N GLY B 86 76.367 -14.924 -24.168 1.00 19.32 N -ATOM 2916 CA GLY B 86 75.697 -13.675 -24.604 1.00 22.48 C -ATOM 2917 C GLY B 86 76.479 -12.898 -25.671 1.00 23.20 C -ATOM 2918 O GLY B 86 76.040 -11.759 -26.039 1.00 24.69 O -ATOM 2919 N ASP B 87 77.591 -13.451 -26.179 1.00 22.31 N -ATOM 2920 CA ASP B 87 78.529 -12.737 -27.098 1.00 20.62 C -ATOM 2921 CB ASP B 87 79.824 -13.544 -27.288 1.00 21.37 C -ATOM 2922 CG ASP B 87 79.613 -14.951 -27.830 1.00 20.45 C -ATOM 2923 OD1 ASP B 87 78.851 -15.730 -27.188 1.00 22.56 O -ATOM 2924 OD2 ASP B 87 80.190 -15.266 -28.896 1.00 18.56 O -ATOM 2925 C ASP B 87 77.842 -12.435 -28.450 1.00 20.00 C -ATOM 2926 O ASP B 87 76.996 -13.254 -28.906 1.00 20.37 O -ATOM 2927 N LYS B 91 76.616 -8.982 -25.632 1.00 20.26 N -ATOM 2928 CA LYS B 91 76.228 -8.678 -24.233 1.00 19.65 C -ATOM 2929 CB LYS B 91 74.712 -8.438 -24.114 1.00 23.44 C -ATOM 2930 CG LYS B 91 73.823 -9.669 -23.937 1.00 28.27 C -ATOM 2931 CD LYS B 91 72.352 -9.368 -23.597 1.00 30.45 C -ATOM 2932 CE LYS B 91 71.712 -10.464 -22.762 1.00 31.42 C -ATOM 2933 NZ LYS B 91 71.813 -11.801 -23.411 1.00 33.26 N -ATOM 2934 C LYS B 91 76.816 -9.755 -23.296 1.00 16.72 C -ATOM 2935 O LYS B 91 76.162 -10.148 -22.287 1.00 17.69 O -ATOM 2936 N ASN B 92 78.065 -10.173 -23.552 1.00 13.48 N -ATOM 2937 CA ASN B 92 78.798 -11.044 -22.595 1.00 11.27 C -ATOM 2938 CB ASN B 92 79.730 -12.031 -23.312 1.00 11.85 C -ATOM 2939 CG ASN B 92 80.646 -11.389 -24.333 1.00 12.37 C -ATOM 2940 OD1 ASN B 92 80.247 -10.447 -25.045 1.00 14.00 O -ATOM 2941 ND2 ASN B 92 81.870 -11.905 -24.430 1.00 11.30 N -ATOM 2942 C ASN B 92 79.554 -10.139 -21.616 1.00 10.39 C -ATOM 2943 O ASN B 92 80.786 -10.066 -21.672 1.00 9.92 O -ATOM 2944 N ASP B 93 78.796 -9.452 -20.782 1.00 9.28 N -ATOM 2945 CA ASP B 93 79.344 -8.477 -19.811 1.00 9.65 C -ATOM 2946 CB ASP B 93 78.417 -7.262 -19.760 1.00 10.31 C -ATOM 2947 CG ASP B 93 77.039 -7.524 -19.192 1.00 11.15 C -ATOM 2948 OD1 ASP B 93 76.644 -8.672 -19.033 1.00 11.21 O -ATOM 2949 OD2 ASP B 93 76.358 -6.529 -18.893 1.00 14.33 O -ATOM 2950 C ASP B 93 79.505 -9.136 -18.430 1.00 8.68 C -ATOM 2951 O ASP B 93 79.418 -10.362 -18.309 1.00 9.53 O -ATOM 2952 N LEU B 94 79.762 -8.351 -17.393 1.00 8.71 N -ATOM 2953 CA LEU B 94 79.980 -8.944 -16.056 1.00 8.20 C -ATOM 2954 CB LEU B 94 80.275 -7.826 -15.062 1.00 8.89 C -ATOM 2955 CG LEU B 94 80.449 -8.316 -13.624 1.00 8.81 C -ATOM 2956 CD1 LEU B 94 81.512 -9.360 -13.514 1.00 9.67 C -ATOM 2957 CD2 LEU B 94 80.752 -7.170 -12.663 1.00 8.90 C -ATOM 2958 C LEU B 94 78.729 -9.705 -15.652 1.00 8.45 C -ATOM 2959 O LEU B 94 78.803 -10.828 -15.173 1.00 9.52 O -ATOM 2960 N GLU B 95 77.576 -9.075 -15.822 1.00 9.09 N -ATOM 2961 CA GLU B 95 76.327 -9.724 -15.363 1.00 9.59 C -ATOM 2962 CB GLU B 95 75.161 -8.761 -15.615 1.00 10.37 C -ATOM 2963 CG GLU B 95 73.812 -9.374 -15.269 1.00 12.12 C -ATOM 2964 CD GLU B 95 72.638 -8.406 -15.280 1.00 13.50 C -ATOM 2965 OE1 GLU B 95 72.870 -7.197 -15.342 1.00 15.82 O -ATOM 2966 OE2 GLU B 95 71.506 -8.880 -15.114 1.00 16.55 O -ATOM 2967 C GLU B 95 76.167 -11.078 -16.080 1.00 9.30 C -ATOM 2968 O GLU B 95 75.756 -12.035 -15.460 1.00 9.88 O -ATOM 2969 N ALA B 96 76.433 -11.152 -17.361 1.00 9.68 N -ATOM 2970 CA ALA B 96 76.344 -12.423 -18.126 1.00 10.65 C -ATOM 2971 CB ALA B 96 76.641 -12.160 -19.576 1.00 10.89 C -ATOM 2972 C ALA B 96 77.300 -13.477 -17.554 1.00 10.18 C -ATOM 2973 O ALA B 96 76.858 -14.602 -17.340 1.00 11.01 O -ATOM 2974 N CYS B 97 78.561 -13.119 -17.273 1.00 10.31 N -ATOM 2975 CA CYS B 97 79.552 -14.056 -16.684 1.00 9.85 C -ATOM 2976 CB CYS B 97 80.899 -13.379 -16.539 1.00 9.97 C -ATOM 2977 SG CYS B 97 81.654 -12.915 -18.126 1.00 10.07 S -ATOM 2978 C CYS B 97 79.054 -14.530 -15.316 1.00 10.05 C -ATOM 2979 O CYS B 97 79.146 -15.723 -14.992 1.00 9.46 O -ATOM 2980 N LEU B 98 78.506 -13.634 -14.516 1.00 8.82 N -ATOM 2981 CA LEU B 98 78.021 -14.016 -13.179 1.00 9.65 C -ATOM 2982 CB LEU B 98 77.584 -12.766 -12.415 1.00 9.47 C -ATOM 2983 CG LEU B 98 78.678 -11.767 -12.071 1.00 9.73 C -ATOM 2984 CD1 LEU B 98 78.053 -10.622 -11.283 1.00 10.35 C -ATOM 2985 CD2 LEU B 98 79.822 -12.422 -11.323 1.00 9.56 C -ATOM 2986 C LEU B 98 76.836 -14.978 -13.344 1.00 9.94 C -ATOM 2987 O LEU B 98 76.712 -15.970 -12.588 1.00 10.01 O -ATOM 2988 N ASN B 99 75.955 -14.698 -14.302 1.00 10.08 N -ATOM 2989 CA ASN B 99 74.791 -15.571 -14.558 1.00 11.64 C -ATOM 2990 CB ASN B 99 73.815 -14.938 -15.563 1.00 13.22 C -ATOM 2991 CG ASN B 99 72.750 -14.160 -14.829 1.00 15.54 C -ATOM 2992 OD1 ASN B 99 72.143 -14.686 -13.911 1.00 17.71 O -ATOM 2993 ND2 ASN B 99 72.537 -12.921 -15.210 1.00 19.65 N -ATOM 2994 C ASN B 99 75.284 -16.953 -14.975 1.00 11.31 C -ATOM 2995 O ASN B 99 74.596 -17.946 -14.662 1.00 11.44 O -ATOM 2996 N ASP B 100 76.393 -17.049 -15.685 1.00 10.60 N -ATOM 2997 CA ASP B 100 76.888 -18.383 -16.091 1.00 10.98 C -ATOM 2998 CB ASP B 100 78.135 -18.290 -16.971 1.00 11.60 C -ATOM 2999 CG ASP B 100 77.836 -17.831 -18.373 1.00 12.47 C -ATOM 3000 OD1 ASP B 100 76.624 -17.791 -18.720 1.00 15.45 O -ATOM 3001 OD2 ASP B 100 78.801 -17.488 -19.072 1.00 13.47 O -ATOM 3002 C ASP B 100 77.205 -19.202 -14.834 1.00 11.00 C -ATOM 3003 O ASP B 100 76.876 -20.384 -14.772 1.00 11.61 O -ATOM 3004 N VAL B 101 77.771 -18.588 -13.817 1.00 9.88 N -ATOM 3005 CA VAL B 101 78.069 -19.263 -12.528 1.00 9.78 C -ATOM 3006 CB VAL B 101 78.985 -18.382 -11.668 1.00 9.78 C -ATOM 3007 CG1 VAL B 101 79.288 -19.030 -10.323 1.00 9.93 C -ATOM 3008 CG2 VAL B 101 80.282 -18.111 -12.418 1.00 10.85 C -ATOM 3009 C VAL B 101 76.757 -19.562 -11.825 1.00 10.06 C -ATOM 3010 O VAL B 101 76.592 -20.662 -11.345 1.00 9.93 O -ATOM 3011 N LYS B 102 75.859 -18.601 -11.765 1.00 10.37 N -ATOM 3012 CA LYS B 102 74.536 -18.792 -11.106 1.00 10.51 C -ATOM 3013 CB LYS B 102 73.713 -17.508 -11.228 1.00 11.86 C -ATOM 3014 CG LYS B 102 72.487 -17.477 -10.345 1.00 13.42 C -ATOM 3015 CD LYS B 102 71.242 -18.057 -10.971 1.00 15.86 C -ATOM 3016 CE LYS B 102 70.005 -17.797 -10.138 1.00 18.37 C -ATOM 3017 NZ LYS B 102 68.798 -18.397 -10.763 1.00 20.24 N -ATOM 3018 C LYS B 102 73.794 -19.987 -11.719 1.00 10.63 C -ATOM 3019 O LYS B 102 73.295 -20.866 -10.988 1.00 11.36 O -ATOM 3020 N ASN B 103 73.770 -20.039 -13.037 1.00 10.97 N -ATOM 3021 CA ASN B 103 73.086 -21.146 -13.762 1.00 11.66 C -ATOM 3022 CB ASN B 103 73.056 -20.859 -15.255 1.00 13.02 C -ATOM 3023 CG ASN B 103 72.159 -19.698 -15.625 1.00 13.85 C -ATOM 3024 OD1 ASN B 103 71.261 -19.368 -14.868 1.00 14.92 O -ATOM 3025 ND2 ASN B 103 72.396 -19.081 -16.780 1.00 17.02 N -ATOM 3026 C ASN B 103 73.778 -22.487 -13.512 1.00 12.76 C -ATOM 3027 O ASN B 103 73.071 -23.509 -13.292 1.00 11.88 O -ATOM 3028 N TRP B 104 75.105 -22.512 -13.467 1.00 10.89 N -ATOM 3029 CA TRP B 104 75.818 -23.780 -13.176 1.00 10.85 C -ATOM 3030 CB TRP B 104 77.348 -23.624 -13.317 1.00 11.21 C -ATOM 3031 CG TRP B 104 78.097 -24.895 -13.102 1.00 11.02 C -ATOM 3032 CD1 TRP B 104 78.551 -25.745 -14.059 1.00 11.03 C -ATOM 3033 NE1 TRP B 104 79.110 -26.852 -13.489 1.00 11.05 N -ATOM 3034 CE2 TRP B 104 79.064 -26.714 -12.134 1.00 10.93 C -ATOM 3035 CD2 TRP B 104 78.433 -25.492 -11.853 1.00 10.94 C -ATOM 3036 CE3 TRP B 104 78.221 -25.134 -10.533 1.00 10.72 C -ATOM 3037 CZ3 TRP B 104 78.689 -25.976 -9.555 1.00 10.46 C -ATOM 3038 CH2 TRP B 104 79.294 -27.192 -9.828 1.00 11.12 C -ATOM 3039 CZ2 TRP B 104 79.504 -27.566 -11.127 1.00 10.23 C -ATOM 3040 C TRP B 104 75.388 -24.193 -11.767 1.00 10.93 C -ATOM 3041 O TRP B 104 75.099 -25.389 -11.544 1.00 11.09 O -ATOM 3042 N SER B 105 75.414 -23.270 -10.798 1.00 11.57 N -ATOM 3043 CA SER B 105 75.003 -23.553 -9.400 1.00 10.58 C -ATOM 3044 CB SER B 105 75.103 -22.303 -8.557 1.00 10.64 C -ATOM 3045 OG SER B 105 74.520 -22.482 -7.275 1.00 10.90 O -ATOM 3046 C SER B 105 73.609 -24.177 -9.382 1.00 11.87 C -ATOM 3047 O SER B 105 73.429 -25.206 -8.689 1.00 12.53 O -ATOM 3048 N ASP B 106 72.662 -23.559 -10.074 1.00 12.30 N -ATOM 3049 CA ASP B 106 71.267 -24.072 -10.120 1.00 12.86 C -ATOM 3050 CB ASP B 106 70.386 -23.192 -11.015 1.00 13.71 C -ATOM 3051 CG ASP B 106 69.959 -21.889 -10.378 1.00 14.59 C -ATOM 3052 OD1 ASP B 106 70.099 -21.748 -9.144 1.00 16.73 O -ATOM 3053 OD2 ASP B 106 69.470 -21.046 -11.129 1.00 16.58 O -ATOM 3054 C ASP B 106 71.254 -25.529 -10.611 1.00 13.97 C -ATOM 3055 O ASP B 106 70.417 -26.325 -10.113 1.00 15.73 O -ATOM 3056 N LYS B 107 72.081 -25.883 -11.574 1.00 12.69 N -ATOM 3057 CA LYS B 107 72.051 -27.234 -12.173 1.00 15.71 C -ATOM 3058 CB LYS B 107 72.577 -27.182 -13.598 1.00 18.12 C -ATOM 3059 CG LYS B 107 71.714 -26.389 -14.562 1.00 22.31 C -ATOM 3060 CD LYS B 107 72.254 -26.489 -15.964 1.00 27.63 C -ATOM 3061 CE LYS B 107 71.424 -25.777 -17.013 1.00 31.57 C -ATOM 3062 NZ LYS B 107 70.216 -26.558 -17.366 1.00 34.41 N -ATOM 3063 C LYS B 107 72.860 -28.230 -11.354 1.00 16.72 C -ATOM 3064 O LYS B 107 72.763 -29.437 -11.627 1.00 16.49 O -ATOM 3065 N HIS B 108 73.618 -27.779 -10.361 1.00 14.52 N -ATOM 3066 CA HIS B 108 74.411 -28.679 -9.496 1.00 15.16 C -ATOM 3067 CB HIS B 108 75.910 -28.557 -9.783 1.00 14.56 C -ATOM 3068 CG HIS B 108 76.247 -28.842 -11.209 1.00 14.21 C -ATOM 3069 ND1 HIS B 108 75.991 -27.943 -12.230 1.00 13.85 N -ATOM 3070 CE1 HIS B 108 76.351 -28.463 -13.390 1.00 15.50 C -ATOM 3071 NE2 HIS B 108 76.722 -29.715 -13.167 1.00 15.55 N -ATOM 3072 CD2 HIS B 108 76.676 -29.970 -11.821 1.00 14.84 C -ATOM 3073 C HIS B 108 74.072 -28.427 -8.033 1.00 15.86 C -ATOM 3074 O HIS B 108 74.905 -28.001 -7.232 1.00 14.57 O -ATOM 3075 N PRO B 109 72.844 -28.743 -7.575 1.00 16.39 N -ATOM 3076 CA PRO B 109 72.528 -28.560 -6.165 1.00 16.31 C -ATOM 3077 CB PRO B 109 71.050 -28.941 -6.060 1.00 18.03 C -ATOM 3078 CG PRO B 109 70.815 -29.846 -7.251 1.00 19.00 C -ATOM 3079 CD PRO B 109 71.748 -29.366 -8.346 1.00 16.70 C -ATOM 3080 C PRO B 109 73.495 -29.435 -5.341 1.00 15.53 C -ATOM 3081 O PRO B 109 73.942 -30.495 -5.790 1.00 16.13 O -ATOM 3082 N GLY B 110 73.866 -28.955 -4.174 1.00 15.29 N -ATOM 3083 CA GLY B 110 74.817 -29.664 -3.308 1.00 12.89 C -ATOM 3084 C GLY B 110 76.263 -29.441 -3.719 1.00 12.22 C -ATOM 3085 O GLY B 110 77.138 -30.103 -3.171 1.00 12.50 O -ATOM 3086 N HIS B 111 76.534 -28.401 -4.512 1.00 10.29 N -ATOM 3087 CA HIS B 111 77.917 -28.191 -5.003 1.00 9.57 C -ATOM 3088 CB HIS B 111 77.953 -27.304 -6.251 1.00 9.83 C -ATOM 3089 CG HIS B 111 77.479 -25.901 -6.071 1.00 9.45 C -ATOM 3090 ND1 HIS B 111 78.205 -24.898 -5.415 1.00 9.28 N -ATOM 3091 CE1 HIS B 111 77.491 -23.782 -5.412 1.00 9.27 C -ATOM 3092 NE2 HIS B 111 76.360 -23.976 -6.068 1.00 9.57 N -ATOM 3093 CD2 HIS B 111 76.353 -25.291 -6.481 1.00 9.58 C -ATOM 3094 C HIS B 111 78.800 -27.683 -3.868 1.00 8.57 C -ATOM 3095 O HIS B 111 78.340 -26.920 -2.971 1.00 9.76 O -ATOM 3096 N PHE B 112 80.053 -28.080 -3.919 1.00 8.50 N -ATOM 3097 CA PHE B 112 81.105 -27.437 -3.113 1.00 8.40 C -ATOM 3098 CB PHE B 112 82.434 -28.051 -3.548 1.00 8.70 C -ATOM 3099 CG PHE B 112 83.608 -27.602 -2.733 1.00 7.82 C -ATOM 3100 CD1 PHE B 112 84.260 -26.423 -3.033 1.00 9.02 C -ATOM 3101 CE1 PHE B 112 85.295 -25.957 -2.235 1.00 8.62 C -ATOM 3102 CZ PHE B 112 85.723 -26.703 -1.175 1.00 9.40 C -ATOM 3103 CD2 PHE B 112 84.079 -28.354 -1.672 1.00 9.06 C -ATOM 3104 CE2 PHE B 112 85.157 -27.925 -0.927 1.00 9.27 C -ATOM 3105 C PHE B 112 81.046 -25.927 -3.348 1.00 8.99 C -ATOM 3106 O PHE B 112 80.793 -25.482 -4.454 1.00 8.80 O -ATOM 3107 N PRO B 113 81.266 -25.102 -2.312 1.00 8.14 N -ATOM 3108 CA PRO B 113 81.140 -23.655 -2.479 1.00 7.64 C -ATOM 3109 CB PRO B 113 81.519 -23.081 -1.102 1.00 8.15 C -ATOM 3110 CG PRO B 113 82.313 -24.185 -0.471 1.00 7.83 C -ATOM 3111 CD PRO B 113 81.635 -25.450 -0.938 1.00 7.74 C -ATOM 3112 C PRO B 113 82.043 -23.097 -3.576 1.00 7.85 C -ATOM 3113 O PRO B 113 83.165 -23.521 -3.692 1.00 7.49 O -ATOM 3114 N ILE B 114 81.476 -22.236 -4.399 1.00 7.28 N -ATOM 3115 CA ILE B 114 82.213 -21.578 -5.489 1.00 7.20 C -ATOM 3116 CB ILE B 114 81.274 -21.369 -6.681 1.00 8.27 C -ATOM 3117 CG1 ILE B 114 80.788 -22.711 -7.234 1.00 8.92 C -ATOM 3118 CG2 ILE B 114 81.963 -20.548 -7.763 1.00 8.54 C -ATOM 3119 CD1 ILE B 114 79.610 -22.568 -8.189 1.00 10.21 C -ATOM 3120 C ILE B 114 82.741 -20.247 -4.975 1.00 7.15 C -ATOM 3121 O ILE B 114 81.993 -19.476 -4.383 1.00 8.30 O -ATOM 3122 N THR B 115 84.000 -19.999 -5.267 1.00 6.65 N -ATOM 3123 CA THR B 115 84.629 -18.716 -4.950 1.00 6.66 C -ATOM 3124 CB THR B 115 85.899 -18.917 -4.118 1.00 6.82 C -ATOM 3125 OG1 THR B 115 85.551 -19.587 -2.912 1.00 7.65 O -ATOM 3126 CG2 THR B 115 86.535 -17.617 -3.701 1.00 7.84 C -ATOM 3127 C THR B 115 84.915 -18.016 -6.274 1.00 6.71 C -ATOM 3128 O THR B 115 85.554 -18.583 -7.170 1.00 7.55 O -ATOM 3129 N LEU B 116 84.465 -16.784 -6.390 1.00 6.51 N -ATOM 3130 CA LEU B 116 84.673 -15.978 -7.607 1.00 7.28 C -ATOM 3131 CB LEU B 116 83.366 -15.428 -8.167 1.00 9.40 C -ATOM 3132 CG LEU B 116 82.344 -16.404 -8.691 1.00 11.28 C -ATOM 3133 CD1 LEU B 116 81.207 -15.638 -9.378 1.00 11.66 C -ATOM 3134 CD2 LEU B 116 83.016 -17.394 -9.608 1.00 12.70 C -ATOM 3135 C LEU B 116 85.533 -14.789 -7.244 1.00 7.10 C -ATOM 3136 O LEU B 116 85.121 -13.922 -6.444 1.00 7.58 O -ATOM 3137 N ILE B 117 86.691 -14.709 -7.853 1.00 6.37 N -ATOM 3138 CA ILE B 117 87.604 -13.551 -7.692 1.00 7.51 C -ATOM 3139 CB ILE B 117 89.062 -14.015 -7.898 1.00 8.38 C -ATOM 3140 CG1 ILE B 117 89.425 -15.236 -7.046 1.00 10.43 C -ATOM 3141 CG2 ILE B 117 90.092 -12.923 -7.778 1.00 9.66 C -ATOM 3142 CD1 ILE B 117 89.271 -15.127 -5.584 1.00 10.70 C -ATOM 3143 C ILE B 117 87.187 -12.498 -8.711 1.00 7.14 C -ATOM 3144 O ILE B 117 87.209 -12.796 -9.928 1.00 9.81 O -ATOM 3145 N LEU B 118 86.811 -11.335 -8.236 1.00 6.71 N -ATOM 3146 CA LEU B 118 86.352 -10.199 -9.084 1.00 6.52 C -ATOM 3147 CB LEU B 118 85.028 -9.691 -8.548 1.00 7.92 C -ATOM 3148 CG LEU B 118 83.948 -10.755 -8.438 1.00 8.22 C -ATOM 3149 CD1 LEU B 118 82.701 -10.130 -7.867 1.00 9.38 C -ATOM 3150 CD2 LEU B 118 83.665 -11.404 -9.780 1.00 9.82 C -ATOM 3151 C LEU B 118 87.474 -9.157 -9.024 1.00 6.56 C -ATOM 3152 O LEU B 118 87.646 -8.456 -8.015 1.00 6.86 O -ATOM 3153 N ASP B 119 88.275 -9.169 -10.062 1.00 6.63 N -ATOM 3154 CA ASP B 119 89.497 -8.358 -10.161 1.00 6.99 C -ATOM 3155 CB ASP B 119 90.580 -9.155 -10.864 1.00 8.16 C -ATOM 3156 CG ASP B 119 91.965 -8.527 -10.799 1.00 9.57 C -ATOM 3157 OD1 ASP B 119 92.111 -7.533 -10.030 1.00 11.53 O -ATOM 3158 OD2 ASP B 119 92.905 -9.046 -11.499 1.00 11.49 O -ATOM 3159 C ASP B 119 89.144 -7.050 -10.871 1.00 6.76 C -ATOM 3160 O ASP B 119 88.990 -6.998 -12.113 1.00 7.03 O -ATOM 3161 N LYS B 120 88.924 -6.059 -10.049 1.00 6.48 N -ATOM 3162 CA LYS B 120 88.444 -4.735 -10.489 1.00 7.28 C -ATOM 3163 CB LYS B 120 87.859 -3.940 -9.344 1.00 7.41 C -ATOM 3164 CG LYS B 120 87.152 -2.689 -9.822 1.00 7.77 C -ATOM 3165 CD LYS B 120 86.523 -1.920 -8.666 1.00 8.06 C -ATOM 3166 CE LYS B 120 85.333 -1.034 -9.022 1.00 9.37 C -ATOM 3167 NZ LYS B 120 85.441 -0.338 -10.300 1.00 7.60 N -ATOM 3168 C LYS B 120 89.584 -3.965 -11.159 1.00 7.03 C -ATOM 3169 O LYS B 120 90.649 -3.855 -10.588 1.00 7.69 O -ATOM 3170 N LYS B 121 89.335 -3.405 -12.342 1.00 7.48 N -ATOM 3171 CA LYS B 121 90.417 -2.780 -13.151 1.00 8.49 C -ATOM 3172 CB LYS B 121 90.375 -3.365 -14.550 1.00 9.27 C -ATOM 3173 CG LYS B 121 90.788 -4.819 -14.619 1.00 10.48 C -ATOM 3174 CD LYS B 121 92.130 -5.159 -14.006 1.00 11.22 C -ATOM 3175 CE LYS B 121 92.443 -6.645 -14.105 1.00 12.96 C -ATOM 3176 NZ LYS B 121 93.742 -7.002 -13.490 1.00 14.32 N -ATOM 3177 C LYS B 121 90.398 -1.243 -13.150 1.00 8.64 C -ATOM 3178 O LYS B 121 91.422 -0.669 -13.566 1.00 9.48 O -ATOM 3179 N GLN B 122 89.316 -0.604 -12.738 1.00 8.29 N -ATOM 3180 CA GLN B 122 89.173 0.864 -12.713 1.00 9.19 C -ATOM 3181 CB GLN B 122 88.283 1.353 -13.859 1.00 9.03 C -ATOM 3182 CG GLN B 122 88.944 1.174 -15.209 1.00 9.57 C -ATOM 3183 CD GLN B 122 88.054 1.578 -16.352 1.00 10.55 C -ATOM 3184 OE1 GLN B 122 86.969 1.060 -16.577 1.00 9.84 O -ATOM 3185 NE2 GLN B 122 88.476 2.609 -17.065 1.00 15.16 N -ATOM 3186 C GLN B 122 88.681 1.251 -11.332 1.00 8.68 C -ATOM 3187 O GLN B 122 88.428 0.400 -10.480 1.00 10.23 O -ATOM 3188 N GLY B 123 88.557 2.543 -11.088 1.00 8.81 N -ATOM 3189 CA GLY B 123 88.035 3.056 -9.817 1.00 8.75 C -ATOM 3190 C GLY B 123 86.522 2.939 -9.690 1.00 7.98 C -ATOM 3191 O GLY B 123 85.815 2.534 -10.622 1.00 8.94 O -ATOM 3192 N TRP B 124 86.014 3.272 -8.525 1.00 8.64 N -ATOM 3193 CA TRP B 124 84.560 3.378 -8.321 1.00 8.09 C -ATOM 3194 CB TRP B 124 84.232 3.419 -6.834 1.00 8.29 C -ATOM 3195 CG TRP B 124 84.642 2.142 -6.165 1.00 7.78 C -ATOM 3196 CD1 TRP B 124 85.669 1.936 -5.293 1.00 7.85 C -ATOM 3197 NE1 TRP B 124 85.749 0.609 -4.924 1.00 7.81 N -ATOM 3198 CE2 TRP B 124 84.730 -0.070 -5.530 1.00 7.38 C -ATOM 3199 CD2 TRP B 124 84.009 0.868 -6.311 1.00 7.72 C -ATOM 3200 CE3 TRP B 124 82.877 0.433 -7.018 1.00 8.27 C -ATOM 3201 CZ3 TRP B 124 82.551 -0.904 -6.956 1.00 7.98 C -ATOM 3202 CH2 TRP B 124 83.281 -1.804 -6.194 1.00 8.23 C -ATOM 3203 CZ2 TRP B 124 84.378 -1.416 -5.469 1.00 7.66 C -ATOM 3204 C TRP B 124 84.027 4.649 -8.989 1.00 8.46 C -ATOM 3205 O TRP B 124 84.728 5.654 -9.012 1.00 9.69 O -ATOM 3206 N SER B 125 82.800 4.617 -9.466 1.00 9.40 N -ATOM 3207 CA SER B 125 82.113 5.864 -9.908 1.00 9.67 C -ATOM 3208 CB SER B 125 81.073 5.621 -10.955 1.00 9.66 C -ATOM 3209 OG SER B 125 79.808 5.240 -10.428 1.00 9.97 O -ATOM 3210 C SER B 125 81.473 6.550 -8.711 1.00 11.36 C -ATOM 3211 O SER B 125 81.358 5.957 -7.643 1.00 11.26 O -ATOM 3212 N LYS B 126 80.993 7.779 -8.932 1.00 12.23 N -ATOM 3213 CA LYS B 126 80.057 8.467 -8.002 1.00 14.61 C -ATOM 3214 CB LYS B 126 80.206 9.984 -8.099 1.00 16.37 C -ATOM 3215 CG LYS B 126 81.625 10.472 -7.893 1.00 21.02 C -ATOM 3216 CD LYS B 126 82.127 10.298 -6.484 1.00 25.17 C -ATOM 3217 CE LYS B 126 83.374 11.119 -6.217 1.00 28.74 C -ATOM 3218 NZ LYS B 126 84.504 10.270 -5.771 1.00 31.66 N -ATOM 3219 C LYS B 126 78.612 8.052 -8.307 1.00 13.55 C -ATOM 3220 O LYS B 126 78.363 7.309 -9.248 1.00 11.63 O -ATOM 3221 N GLU B 127 77.642 8.433 -7.476 1.00 15.10 N -ATOM 3222 CA GLU B 127 76.263 7.875 -7.539 1.00 15.25 C -ATOM 3223 CB GLU B 127 75.359 8.441 -6.434 1.00 19.78 C -ATOM 3224 CG GLU B 127 75.538 7.772 -5.073 1.00 25.40 C -ATOM 3225 CD GLU B 127 76.880 7.918 -4.352 1.00 29.02 C -ATOM 3226 OE1 GLU B 127 77.771 8.687 -4.837 1.00 33.83 O -ATOM 3227 OE2 GLU B 127 77.054 7.237 -3.300 1.00 31.87 O -ATOM 3228 C GLU B 127 75.699 8.137 -8.938 1.00 12.49 C -ATOM 3229 O GLU B 127 74.996 7.314 -9.472 1.00 12.25 O -ATOM 3230 N SER B 128 75.985 9.329 -9.485 1.00 14.34 N -ATOM 3231 CA SER B 128 75.336 9.763 -10.750 1.00 15.77 C -ATOM 3232 CB SER B 128 75.687 11.184 -11.157 1.00 17.10 C -ATOM 3233 OG SER B 128 77.055 11.473 -10.924 1.00 22.30 O -ATOM 3234 C SER B 128 75.621 8.779 -11.889 1.00 13.49 C -ATOM 3235 O SER B 128 74.741 8.623 -12.735 1.00 17.31 O -ATOM 3236 N SER B 129 76.785 8.114 -11.905 1.00 10.89 N -ATOM 3237 CA SER B 129 77.192 7.204 -13.012 1.00 10.46 C -ATOM 3238 CB SER B 129 78.642 7.274 -13.298 1.00 10.42 C -ATOM 3239 OG SER B 129 79.028 8.538 -13.867 1.00 11.76 O -ATOM 3240 C SER B 129 76.757 5.750 -12.740 1.00 10.15 C -ATOM 3241 O SER B 129 76.896 4.934 -13.671 1.00 11.85 O -ATOM 3242 N GLY B 130 76.257 5.427 -11.526 1.00 10.20 N -ATOM 3243 CA GLY B 130 75.591 4.133 -11.304 1.00 9.16 C -ATOM 3244 C GLY B 130 76.561 2.968 -11.151 1.00 8.74 C -ATOM 3245 O GLY B 130 76.139 1.846 -11.354 1.00 9.36 O -ATOM 3246 N ARG B 131 77.812 3.221 -10.799 1.00 8.20 N -ATOM 3247 CA ARG B 131 78.816 2.136 -10.560 1.00 8.52 C -ATOM 3248 CB ARG B 131 79.766 2.044 -11.750 1.00 8.25 C -ATOM 3249 CG ARG B 131 79.076 1.608 -13.030 1.00 8.34 C -ATOM 3250 CD ARG B 131 80.023 1.362 -14.165 1.00 8.77 C -ATOM 3251 NE ARG B 131 80.801 2.572 -14.430 1.00 8.13 N -ATOM 3252 CZ ARG B 131 80.453 3.593 -15.232 1.00 9.48 C -ATOM 3253 NH1 ARG B 131 79.331 3.536 -15.927 1.00 9.94 N -ATOM 3254 NH2 ARG B 131 81.200 4.683 -15.298 1.00 9.88 N -ATOM 3255 C ARG B 131 79.545 2.370 -9.243 1.00 7.70 C -ATOM 3256 O ARG B 131 80.803 2.249 -9.193 1.00 8.14 O -ATOM 3257 N THR B 132 78.791 2.692 -8.211 1.00 7.68 N -ATOM 3258 CA THR B 132 79.338 2.776 -6.857 1.00 7.48 C -ATOM 3259 CB THR B 132 78.404 3.622 -5.994 1.00 8.27 C -ATOM 3260 OG1 THR B 132 77.216 2.878 -5.745 1.00 9.36 O -ATOM 3261 CG2 THR B 132 78.107 4.980 -6.587 1.00 8.22 C -ATOM 3262 C THR B 132 79.431 1.404 -6.199 1.00 7.75 C -ATOM 3263 O THR B 132 78.911 0.410 -6.708 1.00 7.66 O -ATOM 3264 N PRO B 133 80.129 1.302 -5.031 1.00 8.01 N -ATOM 3265 CA PRO B 133 80.102 0.051 -4.249 1.00 7.82 C -ATOM 3266 CB PRO B 133 80.760 0.441 -2.924 1.00 7.95 C -ATOM 3267 CG PRO B 133 81.793 1.460 -3.378 1.00 8.49 C -ATOM 3268 CD PRO B 133 81.038 2.294 -4.412 1.00 8.25 C -ATOM 3269 C PRO B 133 78.675 -0.480 -4.049 1.00 8.16 C -ATOM 3270 O PRO B 133 78.443 -1.655 -4.144 1.00 7.60 O -ATOM 3271 N LYS B 134 77.729 0.401 -3.733 1.00 8.50 N -ATOM 3272 CA LYS B 134 76.307 0.011 -3.530 1.00 9.66 C -ATOM 3273 CB LYS B 134 75.480 1.204 -3.084 1.00 11.31 C -ATOM 3274 CG LYS B 134 73.994 0.952 -2.936 1.00 12.40 C -ATOM 3275 CD LYS B 134 73.387 2.165 -2.269 1.00 16.71 C -ATOM 3276 CE LYS B 134 71.911 2.051 -1.959 1.00 20.30 C -ATOM 3277 NZ LYS B 134 71.077 2.064 -3.183 1.00 24.55 N -ATOM 3278 C LYS B 134 75.754 -0.570 -4.835 1.00 8.26 C -ATOM 3279 O LYS B 134 75.086 -1.600 -4.804 1.00 7.96 O -ATOM 3280 N ASP B 135 75.985 0.062 -5.969 1.00 8.08 N -ATOM 3281 CA ASP B 135 75.479 -0.475 -7.237 1.00 8.89 C -ATOM 3282 CB ASP B 135 75.798 0.448 -8.400 1.00 9.16 C -ATOM 3283 CG ASP B 135 75.109 1.796 -8.292 1.00 9.48 C -ATOM 3284 OD1 ASP B 135 73.864 1.802 -8.275 1.00 12.64 O -ATOM 3285 OD2 ASP B 135 75.813 2.831 -8.204 1.00 10.31 O -ATOM 3286 C ASP B 135 76.079 -1.854 -7.478 1.00 7.62 C -ATOM 3287 O ASP B 135 75.432 -2.717 -8.051 1.00 8.44 O -ATOM 3288 N PHE B 136 77.351 -2.034 -7.156 1.00 7.86 N -ATOM 3289 CA PHE B 136 78.018 -3.349 -7.356 1.00 7.79 C -ATOM 3290 CB PHE B 136 79.507 -3.169 -7.070 1.00 9.09 C -ATOM 3291 CG PHE B 136 80.375 -4.350 -7.378 1.00 9.35 C -ATOM 3292 CD1 PHE B 136 80.558 -4.706 -8.701 1.00 10.19 C -ATOM 3293 CE1 PHE B 136 81.359 -5.766 -9.047 1.00 12.26 C -ATOM 3294 CZ PHE B 136 82.024 -6.469 -8.084 1.00 12.55 C -ATOM 3295 CD2 PHE B 136 81.047 -5.070 -6.394 1.00 11.54 C -ATOM 3296 CE2 PHE B 136 81.833 -6.170 -6.761 1.00 12.54 C -ATOM 3297 C PHE B 136 77.365 -4.427 -6.483 1.00 8.00 C -ATOM 3298 O PHE B 136 77.057 -5.495 -6.963 1.00 8.12 O -ATOM 3299 N ASP B 137 77.167 -4.100 -5.221 1.00 7.95 N -ATOM 3300 CA ASP B 137 76.499 -5.048 -4.308 1.00 8.40 C -ATOM 3301 CB ASP B 137 76.405 -4.465 -2.904 1.00 7.85 C -ATOM 3302 CG ASP B 137 77.577 -4.804 -1.995 1.00 8.54 C -ATOM 3303 OD1 ASP B 137 78.556 -5.363 -2.496 1.00 8.65 O -ATOM 3304 OD2 ASP B 137 77.488 -4.456 -0.817 1.00 8.79 O -ATOM 3305 C ASP B 137 75.089 -5.353 -4.828 1.00 8.60 C -ATOM 3306 O ASP B 137 74.652 -6.506 -4.762 1.00 9.08 O -ATOM 3307 N GLU B 138 74.382 -4.347 -5.356 1.00 8.58 N -ATOM 3308 CA GLU B 138 73.013 -4.558 -5.898 1.00 9.19 C -ATOM 3309 CB GLU B 138 72.335 -3.228 -6.168 1.00 9.90 C -ATOM 3310 CG GLU B 138 71.885 -2.609 -4.858 1.00 11.42 C -ATOM 3311 CD GLU B 138 71.270 -1.231 -4.896 1.00 14.12 C -ATOM 3312 OE1 GLU B 138 71.152 -0.700 -5.986 1.00 16.40 O -ATOM 3313 OE2 GLU B 138 70.948 -0.674 -3.794 1.00 19.04 O -ATOM 3314 C GLU B 138 73.069 -5.520 -7.068 1.00 9.31 C -ATOM 3315 O GLU B 138 72.181 -6.402 -7.147 1.00 10.33 O -ATOM 3316 N LEU B 139 74.064 -5.383 -7.950 1.00 9.52 N -ATOM 3317 CA LEU B 139 74.172 -6.296 -9.106 1.00 9.93 C -ATOM 3318 CB LEU B 139 75.296 -5.859 -10.046 1.00 10.62 C -ATOM 3319 CG LEU B 139 75.697 -6.899 -11.085 1.00 11.71 C -ATOM 3320 CD1 LEU B 139 74.544 -7.283 -11.992 1.00 13.24 C -ATOM 3321 CD2 LEU B 139 76.904 -6.438 -11.883 1.00 12.76 C -ATOM 3322 C LEU B 139 74.417 -7.708 -8.603 1.00 9.02 C -ATOM 3323 O LEU B 139 73.718 -8.632 -9.018 1.00 9.66 O -ATOM 3324 N VAL B 140 75.409 -7.921 -7.734 1.00 8.44 N -ATOM 3325 CA VAL B 140 75.790 -9.312 -7.388 1.00 8.87 C -ATOM 3326 CB VAL B 140 77.169 -9.410 -6.700 1.00 8.85 C -ATOM 3327 CG1 VAL B 140 78.256 -8.801 -7.587 1.00 9.31 C -ATOM 3328 CG2 VAL B 140 77.185 -8.796 -5.325 1.00 9.03 C -ATOM 3329 C VAL B 140 74.631 -9.953 -6.620 1.00 9.03 C -ATOM 3330 O VAL B 140 74.385 -11.165 -6.753 1.00 10.21 O -ATOM 3331 N ALA B 141 73.955 -9.182 -5.790 1.00 10.02 N -ATOM 3332 CA ALA B 141 72.780 -9.691 -5.036 1.00 11.28 C -ATOM 3333 CB ALA B 141 72.302 -8.686 -4.040 1.00 11.95 C -ATOM 3334 C ALA B 141 71.645 -10.039 -6.004 1.00 12.24 C -ATOM 3335 O ALA B 141 70.995 -11.056 -5.807 1.00 13.05 O -ATOM 3336 N ARG B 142 71.411 -9.217 -7.024 1.00 12.18 N -ATOM 3337 CA ARG B 142 70.333 -9.454 -8.033 1.00 13.01 C -ATOM 3338 CB ARG B 142 70.229 -8.295 -9.029 1.00 14.85 C -ATOM 3339 CG ARG B 142 69.034 -8.381 -9.972 1.00 16.85 C -ATOM 3340 CD ARG B 142 68.757 -7.056 -10.652 1.00 18.05 C -ATOM 3341 NE ARG B 142 69.940 -6.475 -11.250 1.00 19.76 N -ATOM 3342 CZ ARG B 142 70.474 -6.833 -12.408 1.00 20.75 C -ATOM 3343 NH1 ARG B 142 69.983 -7.835 -13.122 1.00 21.26 N -ATOM 3344 NH2 ARG B 142 71.533 -6.188 -12.851 1.00 22.86 N -ATOM 3345 C ARG B 142 70.614 -10.753 -8.794 1.00 12.76 C -ATOM 3346 O ARG B 142 69.656 -11.521 -9.084 1.00 14.35 O -ATOM 3347 N VAL B 143 71.886 -11.057 -9.093 1.00 10.47 N -ATOM 3348 CA VAL B 143 72.212 -12.283 -9.854 1.00 10.60 C -ATOM 3349 CB VAL B 143 73.613 -12.170 -10.476 1.00 11.57 C -ATOM 3350 CG1 VAL B 143 74.089 -13.505 -11.024 1.00 11.52 C -ATOM 3351 CG2 VAL B 143 73.655 -11.118 -11.570 1.00 11.56 C -ATOM 3352 C VAL B 143 72.096 -13.464 -8.893 1.00 10.58 C -ATOM 3353 O VAL B 143 71.420 -14.461 -9.213 1.00 11.29 O -ATOM 3354 N PHE B 144 72.786 -13.444 -7.768 1.00 10.46 N -ATOM 3355 CA PHE B 144 73.027 -14.672 -6.970 1.00 11.30 C -ATOM 3356 CB PHE B 144 74.403 -14.621 -6.320 1.00 10.37 C -ATOM 3357 CG PHE B 144 75.503 -14.797 -7.327 1.00 9.39 C -ATOM 3358 CD1 PHE B 144 75.685 -16.019 -7.943 1.00 10.15 C -ATOM 3359 CE1 PHE B 144 76.712 -16.197 -8.837 1.00 9.75 C -ATOM 3360 CZ PHE B 144 77.511 -15.145 -9.190 1.00 9.93 C -ATOM 3361 CD2 PHE B 144 76.364 -13.747 -7.634 1.00 9.45 C -ATOM 3362 CE2 PHE B 144 77.334 -13.924 -8.600 1.00 9.38 C -ATOM 3363 C PHE B 144 71.975 -14.886 -5.885 1.00 11.99 C -ATOM 3364 O PHE B 144 71.809 -16.025 -5.415 1.00 12.40 O -ATOM 3365 N GLN B 145 71.304 -13.799 -5.501 1.00 13.96 N -ATOM 3366 CA GLN B 145 70.236 -13.807 -4.486 1.00 15.37 C -ATOM 3367 CB GLN B 145 68.998 -14.381 -5.179 1.00 16.79 C -ATOM 3368 CG GLN B 145 68.671 -13.682 -6.497 1.00 19.75 C -ATOM 3369 CD GLN B 145 67.763 -14.506 -7.375 1.00 23.41 C -ATOM 3370 OE1 GLN B 145 68.029 -15.674 -7.658 1.00 26.65 O -ATOM 3371 NE2 GLN B 145 66.665 -13.902 -7.819 1.00 27.75 N -ATOM 3372 C GLN B 145 70.767 -14.541 -3.243 1.00 15.06 C -ATOM 3373 O GLN B 145 71.844 -14.192 -2.690 1.00 17.09 O -ATOM 3374 N GLY B 146 70.029 -15.545 -2.797 1.00 15.06 N -ATOM 3375 CA GLY B 146 70.302 -16.275 -1.565 1.00 13.66 C -ATOM 3376 C GLY B 146 71.560 -17.098 -1.639 1.00 12.41 C -ATOM 3377 O GLY B 146 71.872 -17.693 -0.643 1.00 12.69 O -ATOM 3378 N LYS B 147 72.205 -17.261 -2.803 1.00 10.56 N -ATOM 3379 CA LYS B 147 73.360 -18.184 -2.852 1.00 9.22 C -ATOM 3380 CB LYS B 147 73.764 -18.478 -4.301 1.00 9.14 C -ATOM 3381 CG LYS B 147 72.762 -19.286 -5.113 1.00 9.99 C -ATOM 3382 CD LYS B 147 73.172 -19.393 -6.565 1.00 11.12 C -ATOM 3383 CE LYS B 147 72.115 -20.062 -7.411 1.00 11.37 C -ATOM 3384 NZ LYS B 147 71.913 -21.488 -7.055 1.00 11.83 N -ATOM 3385 C LYS B 147 74.582 -17.600 -2.123 1.00 8.08 C -ATOM 3386 O LYS B 147 75.474 -18.349 -1.788 1.00 8.76 O -ATOM 3387 N LEU B 148 74.655 -16.297 -1.899 1.00 7.78 N -ATOM 3388 CA LEU B 148 75.882 -15.669 -1.359 1.00 7.43 C -ATOM 3389 CB LEU B 148 75.815 -14.157 -1.498 1.00 7.45 C -ATOM 3390 CG LEU B 148 75.771 -13.660 -2.932 1.00 8.71 C -ATOM 3391 CD1 LEU B 148 75.818 -12.139 -2.970 1.00 9.67 C -ATOM 3392 CD2 LEU B 148 76.933 -14.248 -3.744 1.00 9.01 C -ATOM 3393 C LEU B 148 76.095 -16.038 0.092 1.00 7.62 C -ATOM 3394 O LEU B 148 75.131 -16.147 0.915 1.00 8.57 O -ATOM 3395 N PHE B 149 77.371 -16.202 0.410 1.00 6.98 N -ATOM 3396 CA PHE B 149 77.907 -16.232 1.779 1.00 7.08 C -ATOM 3397 CB PHE B 149 78.675 -17.532 2.022 1.00 7.38 C -ATOM 3398 CG PHE B 149 79.292 -17.649 3.391 1.00 7.35 C -ATOM 3399 CD1 PHE B 149 78.548 -18.021 4.492 1.00 7.77 C -ATOM 3400 CE1 PHE B 149 79.138 -18.111 5.735 1.00 8.17 C -ATOM 3401 CZ PHE B 149 80.470 -17.860 5.891 1.00 7.86 C -ATOM 3402 CD2 PHE B 149 80.644 -17.405 3.553 1.00 7.36 C -ATOM 3403 CE2 PHE B 149 81.224 -17.500 4.800 1.00 7.54 C -ATOM 3404 C PHE B 149 78.810 -15.011 1.908 1.00 6.67 C -ATOM 3405 O PHE B 149 79.761 -14.899 1.081 1.00 7.06 O -ATOM 3406 N THR B 150 78.538 -14.134 2.850 1.00 6.84 N -ATOM 3407 CA THR B 150 79.159 -12.806 2.880 1.00 6.99 C -ATOM 3408 CB THR B 150 78.089 -11.719 2.879 1.00 7.35 C -ATOM 3409 OG1 THR B 150 77.407 -11.788 4.126 1.00 8.10 O -ATOM 3410 CG2 THR B 150 77.107 -11.842 1.732 1.00 8.56 C -ATOM 3411 C THR B 150 79.976 -12.628 4.136 1.00 6.73 C -ATOM 3412 O THR B 150 79.947 -13.429 5.081 1.00 7.12 O -ATOM 3413 N PRO B 151 80.775 -11.539 4.232 1.00 7.00 N -ATOM 3414 CA PRO B 151 81.553 -11.301 5.443 1.00 6.78 C -ATOM 3415 CB PRO B 151 82.234 -9.954 5.136 1.00 7.41 C -ATOM 3416 CG PRO B 151 82.407 -9.944 3.650 1.00 6.63 C -ATOM 3417 CD PRO B 151 81.128 -10.591 3.144 1.00 6.72 C -ATOM 3418 C PRO B 151 80.715 -11.293 6.728 1.00 6.63 C -ATOM 3419 O PRO B 151 81.138 -11.822 7.736 1.00 6.57 O -ATOM 3420 N GLN B 152 79.534 -10.681 6.709 1.00 6.95 N -ATOM 3421 CA GLN B 152 78.687 -10.693 7.918 1.00 7.46 C -ATOM 3422 CB GLN B 152 77.448 -9.822 7.692 1.00 8.16 C -ATOM 3423 CG GLN B 152 76.492 -9.802 8.883 1.00 8.87 C -ATOM 3424 CD GLN B 152 77.086 -9.249 10.151 1.00 9.38 C -ATOM 3425 OE1 GLN B 152 77.279 -8.033 10.281 1.00 10.97 O -ATOM 3426 NE2 GLN B 152 77.350 -10.103 11.116 1.00 9.69 N -ATOM 3427 C GLN B 152 78.301 -12.129 8.285 1.00 7.21 C -ATOM 3428 O GLN B 152 78.176 -12.462 9.451 1.00 7.33 O -ATOM 3429 N ASP B 153 78.060 -12.974 7.312 1.00 7.21 N -ATOM 3430 CA ASP B 153 77.704 -14.370 7.605 1.00 7.33 C -ATOM 3431 CB ASP B 153 77.347 -15.077 6.310 1.00 7.25 C -ATOM 3432 CG ASP B 153 76.152 -14.507 5.566 1.00 7.72 C -ATOM 3433 OD1 ASP B 153 75.207 -13.993 6.249 1.00 9.10 O -ATOM 3434 OD2 ASP B 153 76.158 -14.578 4.336 1.00 8.89 O -ATOM 3435 C ASP B 153 78.859 -15.038 8.329 1.00 7.25 C -ATOM 3436 O ASP B 153 78.668 -15.788 9.308 1.00 8.52 O -ATOM 3437 N LEU B 154 80.084 -14.805 7.868 1.00 7.11 N -ATOM 3438 CA LEU B 154 81.270 -15.331 8.562 1.00 7.04 C -ATOM 3439 CB LEU B 154 82.510 -15.052 7.720 1.00 6.90 C -ATOM 3440 CG LEU B 154 83.819 -15.529 8.352 1.00 7.03 C -ATOM 3441 CD1 LEU B 154 83.823 -17.032 8.553 1.00 7.37 C -ATOM 3442 CD2 LEU B 154 84.979 -15.132 7.458 1.00 7.13 C -ATOM 3443 C LEU B 154 81.408 -14.745 9.959 1.00 6.82 C -ATOM 3444 O LEU B 154 81.668 -15.480 10.895 1.00 7.03 O -ATOM 3445 N ALA B 155 81.230 -13.443 10.090 1.00 6.98 N -ATOM 3446 CA ALA B 155 81.347 -12.788 11.404 1.00 7.28 C -ATOM 3447 CB ALA B 155 81.150 -11.318 11.205 1.00 8.00 C -ATOM 3448 C ALA B 155 80.351 -13.393 12.396 1.00 7.20 C -ATOM 3449 O ALA B 155 80.741 -13.699 13.529 1.00 7.84 O -ATOM 3450 N THR B 156 79.090 -13.571 11.981 1.00 7.52 N -ATOM 3451 CA THR B 156 78.088 -14.229 12.866 1.00 8.12 C -ATOM 3452 CB THR B 156 76.725 -14.259 12.175 1.00 8.59 C -ATOM 3453 OG1 THR B 156 76.349 -12.890 12.043 1.00 9.50 O -ATOM 3454 CG2 THR B 156 75.704 -15.071 12.950 1.00 9.25 C -ATOM 3455 C THR B 156 78.590 -15.619 13.203 1.00 8.59 C -ATOM 3456 O THR B 156 78.526 -16.009 14.387 1.00 9.35 O -ATOM 3457 N HIS B 157 79.076 -16.386 12.236 1.00 7.96 N -ATOM 3458 CA HIS B 157 79.553 -17.749 12.541 1.00 8.62 C -ATOM 3459 CB HIS B 157 80.147 -18.390 11.297 1.00 9.43 C -ATOM 3460 CG HIS B 157 80.633 -19.774 11.564 1.00 10.83 C -ATOM 3461 ND1 HIS B 157 79.788 -20.874 11.679 1.00 11.97 N -ATOM 3462 CE1 HIS B 157 80.498 -21.951 11.894 1.00 12.70 C -ATOM 3463 NE2 HIS B 157 81.745 -21.616 11.937 1.00 12.70 N -ATOM 3464 CD2 HIS B 157 81.878 -20.261 11.713 1.00 11.82 C -ATOM 3465 C HIS B 157 80.572 -17.720 13.665 1.00 9.24 C -ATOM 3466 O HIS B 157 80.539 -18.657 14.506 1.00 9.83 O -ATOM 3467 N ILE B 158 81.528 -16.798 13.645 1.00 9.70 N -ATOM 3468 CA ILE B 158 82.626 -16.811 14.647 1.00 9.60 C -ATOM 3469 CB ILE B 158 83.981 -16.392 14.046 1.00 9.13 C -ATOM 3470 CG1 ILE B 158 84.026 -14.923 13.631 1.00 8.79 C -ATOM 3471 CG2 ILE B 158 84.321 -17.306 12.902 1.00 9.11 C -ATOM 3472 CD1 ILE B 158 85.447 -14.365 13.532 1.00 9.14 C -ATOM 3473 C ILE B 158 82.270 -15.964 15.870 1.00 9.80 C -ATOM 3474 O ILE B 158 83.123 -15.849 16.769 1.00 12.02 O -ATOM 3475 N GLY B 159 81.136 -15.307 15.921 1.00 9.92 N -ATOM 3476 CA GLY B 159 80.725 -14.460 17.068 1.00 10.33 C -ATOM 3477 C GLY B 159 81.463 -13.137 17.121 1.00 10.50 C -ATOM 3478 O GLY B 159 81.689 -12.643 18.229 1.00 11.75 O -ATOM 3479 N SER B 160 81.771 -12.553 15.960 1.00 9.88 N -ATOM 3480 CA SER B 160 82.525 -11.290 15.841 1.00 9.54 C -ATOM 3481 CB SER B 160 83.780 -11.557 15.021 1.00 8.65 C -ATOM 3482 OG SER B 160 84.539 -10.368 14.822 1.00 10.10 O -ATOM 3483 C SER B 160 81.640 -10.231 15.179 1.00 9.55 C -ATOM 3484 O SER B 160 80.820 -10.571 14.334 1.00 10.29 O -ATOM 3485 N GLY B 161 81.935 -8.961 15.431 1.00 9.64 N -ATOM 3486 CA GLY B 161 81.543 -7.911 14.494 1.00 9.40 C -ATOM 3487 C GLY B 161 82.240 -8.093 13.149 1.00 9.40 C -ATOM 3488 O GLY B 161 83.393 -8.543 13.095 1.00 8.87 O -ATOM 3489 N ALA B 162 81.593 -7.729 12.060 1.00 8.41 N -ATOM 3490 CA ALA B 162 82.223 -7.872 10.729 1.00 8.92 C -ATOM 3491 CB ALA B 162 81.239 -7.550 9.631 1.00 8.76 C -ATOM 3492 C ALA B 162 83.476 -6.992 10.633 1.00 7.47 C -ATOM 3493 O ALA B 162 84.413 -7.375 9.911 1.00 7.45 O -ATOM 3494 N GLY B 163 83.470 -5.847 11.302 1.00 7.46 N -ATOM 3495 CA GLY B 163 84.614 -4.926 11.256 1.00 7.17 C -ATOM 3496 C GLY B 163 85.760 -5.371 12.139 1.00 7.06 C -ATOM 3497 O GLY B 163 86.729 -4.596 12.233 1.00 7.43 O -ATOM 3498 N ALA B 164 85.708 -6.555 12.755 1.00 7.34 N -ATOM 3499 CA ALA B 164 86.844 -7.093 13.530 1.00 7.57 C -ATOM 3500 CB ALA B 164 86.600 -6.995 15.033 1.00 8.96 C -ATOM 3501 C ALA B 164 87.142 -8.529 13.079 1.00 7.17 C -ATOM 3502 O ALA B 164 87.856 -9.270 13.778 1.00 7.40 O -ATOM 3503 N LEU B 165 86.711 -8.914 11.867 1.00 6.46 N -ATOM 3504 CA LEU B 165 87.081 -10.217 11.289 1.00 6.17 C -ATOM 3505 CB LEU B 165 86.542 -10.373 9.861 1.00 6.48 C -ATOM 3506 CG LEU B 165 85.051 -10.727 9.753 1.00 6.53 C -ATOM 3507 CD1 LEU B 165 84.539 -10.531 8.335 1.00 7.26 C -ATOM 3508 CD2 LEU B 165 84.804 -12.158 10.206 1.00 6.73 C -ATOM 3509 C LEU B 165 88.595 -10.367 11.268 1.00 5.98 C -ATOM 3510 O LEU B 165 89.128 -11.450 11.470 1.00 6.26 O -ATOM 3511 N GLN B 166 89.290 -9.303 10.891 1.00 5.48 N -ATOM 3512 CA GLN B 166 90.744 -9.405 10.556 1.00 5.78 C -ATOM 3513 CB GLN B 166 91.313 -8.018 10.356 1.00 5.81 C -ATOM 3514 CG GLN B 166 92.776 -8.015 9.940 1.00 6.50 C -ATOM 3515 CD GLN B 166 93.432 -6.650 10.005 1.00 6.80 C -ATOM 3516 OE1 GLN B 166 93.111 -5.846 10.871 1.00 7.38 O -ATOM 3517 NE2 GLN B 166 94.327 -6.355 9.076 1.00 6.63 N -ATOM 3518 C GLN B 166 91.481 -10.095 11.684 1.00 5.41 C -ATOM 3519 O GLN B 166 92.229 -11.070 11.456 1.00 5.85 O -ATOM 3520 N GLY B 167 91.299 -9.611 12.904 1.00 5.88 N -ATOM 3521 CA GLY B 167 91.963 -10.194 14.102 1.00 6.58 C -ATOM 3522 C GLY B 167 91.127 -11.294 14.729 1.00 6.86 C -ATOM 3523 O GLY B 167 91.728 -12.257 15.277 1.00 7.62 O -ATOM 3524 N ASN B 168 89.811 -11.214 14.719 1.00 6.95 N -ATOM 3525 CA ASN B 168 89.019 -12.221 15.475 1.00 7.62 C -ATOM 3526 CB ASN B 168 87.609 -11.740 15.729 1.00 7.61 C -ATOM 3527 CG ASN B 168 87.576 -10.659 16.782 1.00 8.20 C -ATOM 3528 OD1 ASN B 168 88.560 -10.445 17.492 1.00 11.22 O -ATOM 3529 ND2 ASN B 168 86.491 -9.925 16.850 1.00 8.78 N -ATOM 3530 C ASN B 168 88.993 -13.562 14.748 1.00 7.06 C -ATOM 3531 O ASN B 168 88.711 -14.594 15.392 1.00 7.98 O -ATOM 3532 N LEU B 169 89.335 -13.632 13.468 1.00 6.90 N -ATOM 3533 CA LEU B 169 89.416 -14.924 12.781 1.00 6.98 C -ATOM 3534 CB LEU B 169 89.525 -14.730 11.276 1.00 6.58 C -ATOM 3535 CG LEU B 169 88.179 -14.453 10.603 1.00 6.21 C -ATOM 3536 CD1 LEU B 169 88.400 -13.926 9.196 1.00 6.74 C -ATOM 3537 CD2 LEU B 169 87.410 -15.762 10.529 1.00 7.16 C -ATOM 3538 C LEU B 169 90.585 -15.756 13.290 1.00 6.76 C -ATOM 3539 O LEU B 169 90.510 -16.970 13.131 1.00 7.34 O -ATOM 3540 N LYS B 170 91.630 -15.169 13.883 1.00 7.14 N -ATOM 3541 CA LYS B 170 92.746 -15.992 14.371 1.00 8.37 C -ATOM 3542 CB LYS B 170 93.837 -15.058 14.874 1.00 8.82 C -ATOM 3543 CG LYS B 170 95.118 -15.797 15.218 1.00 10.45 C -ATOM 3544 CD LYS B 170 96.139 -14.839 15.791 1.00 14.54 C -ATOM 3545 CE LYS B 170 95.763 -14.568 17.229 1.00 17.23 C -ATOM 3546 NZ LYS B 170 96.975 -14.324 17.993 1.00 18.40 N -ATOM 3547 C LYS B 170 92.262 -16.981 15.444 1.00 9.08 C -ATOM 3548 O LYS B 170 91.694 -16.574 16.416 1.00 10.01 O -ATOM 3549 N GLY B 171 92.569 -18.244 15.212 1.00 10.59 N -ATOM 3550 CA GLY B 171 92.177 -19.373 16.067 1.00 11.69 C -ATOM 3551 C GLY B 171 90.764 -19.834 15.798 1.00 12.59 C -ATOM 3552 O GLY B 171 90.280 -20.698 16.542 1.00 16.23 O -ATOM 3553 N LYS B 172 90.053 -19.293 14.801 1.00 11.53 N -ATOM 3554 CA LYS B 172 88.647 -19.700 14.569 1.00 11.49 C -ATOM 3555 CB LYS B 172 87.725 -18.477 14.579 1.00 13.44 C -ATOM 3556 CG LYS B 172 87.500 -17.798 15.937 1.00 16.20 C -ATOM 3557 CD LYS B 172 86.455 -18.457 16.838 1.00 20.58 C -ATOM 3558 CE LYS B 172 86.168 -17.628 18.086 1.00 21.90 C -ATOM 3559 NZ LYS B 172 85.141 -18.255 18.954 1.00 25.97 N -ATOM 3560 C LYS B 172 88.554 -20.464 13.243 1.00 10.47 C -ATOM 3561 O LYS B 172 89.366 -20.285 12.304 1.00 12.02 O -ATOM 3562 N SER B 173 87.533 -21.303 13.137 1.00 10.02 N -ATOM 3563 CA SER B 173 87.191 -22.067 11.920 1.00 10.45 C -ATOM 3564 CB SER B 173 86.821 -23.488 12.235 1.00 12.19 C -ATOM 3565 OG SER B 173 87.917 -24.134 12.869 1.00 13.93 O -ATOM 3566 C SER B 173 86.055 -21.379 11.157 1.00 9.82 C -ATOM 3567 O SER B 173 85.043 -20.973 11.710 1.00 9.77 O -ATOM 3568 N TRP B 174 86.213 -21.317 9.848 1.00 8.64 N -ATOM 3569 CA TRP B 174 85.075 -21.011 8.959 1.00 8.23 C -ATOM 3570 CB TRP B 174 85.554 -20.799 7.541 1.00 7.64 C -ATOM 3571 CG TRP B 174 86.362 -19.563 7.304 1.00 7.51 C -ATOM 3572 CD1 TRP B 174 87.438 -19.103 8.009 1.00 7.37 C -ATOM 3573 NE1 TRP B 174 87.925 -17.959 7.459 1.00 7.72 N -ATOM 3574 CE2 TRP B 174 87.189 -17.664 6.345 1.00 7.51 C -ATOM 3575 CD2 TRP B 174 86.196 -18.663 6.204 1.00 7.67 C -ATOM 3576 CE3 TRP B 174 85.262 -18.567 5.163 1.00 7.68 C -ATOM 3577 CZ3 TRP B 174 85.397 -17.502 4.291 1.00 8.13 C -ATOM 3578 CH2 TRP B 174 86.380 -16.526 4.466 1.00 8.07 C -ATOM 3579 CZ2 TRP B 174 87.286 -16.587 5.470 1.00 7.86 C -ATOM 3580 C TRP B 174 84.072 -22.157 8.960 1.00 7.64 C -ATOM 3581 O TRP B 174 84.389 -23.284 9.350 1.00 8.55 O -ATOM 3582 N PRO B 175 82.841 -21.964 8.475 1.00 7.60 N -ATOM 3583 CA PRO B 175 81.935 -23.087 8.242 1.00 8.18 C -ATOM 3584 CB PRO B 175 80.709 -22.464 7.569 1.00 8.23 C -ATOM 3585 CG PRO B 175 80.808 -21.012 8.048 1.00 7.85 C -ATOM 3586 CD PRO B 175 82.286 -20.696 8.024 1.00 7.91 C -ATOM 3587 C PRO B 175 82.646 -24.105 7.349 1.00 8.21 C -ATOM 3588 O PRO B 175 83.549 -23.787 6.565 1.00 8.05 O -ATOM 3589 N THR B 176 82.228 -25.358 7.435 1.00 8.02 N -ATOM 3590 CA THR B 176 82.794 -26.434 6.593 1.00 8.28 C -ATOM 3591 CB THR B 176 82.480 -27.824 7.146 1.00 8.53 C -ATOM 3592 OG1 THR B 176 81.072 -27.988 7.040 1.00 9.55 O -ATOM 3593 CG2 THR B 176 82.944 -28.005 8.568 1.00 10.06 C -ATOM 3594 C THR B 176 82.288 -26.286 5.163 1.00 7.86 C -ATOM 3595 O THR B 176 81.279 -25.638 4.890 1.00 8.06 O -ATOM 3596 N ALA B 177 82.922 -26.995 4.256 1.00 8.52 N -ATOM 3597 CA ALA B 177 82.400 -27.099 2.893 1.00 8.86 C -ATOM 3598 CB ALA B 177 83.330 -27.861 2.029 1.00 8.88 C -ATOM 3599 C ALA B 177 80.990 -27.665 2.895 1.00 9.14 C -ATOM 3600 O ALA B 177 80.177 -27.183 2.100 1.00 8.66 O -ATOM 3601 N ASN B 178 80.709 -28.673 3.730 1.00 9.15 N -ATOM 3602 CA ASN B 178 79.312 -29.177 3.859 1.00 10.44 C -ATOM 3603 CB ASN B 178 79.230 -30.351 4.846 1.00 12.51 C -ATOM 3604 CG ASN B 178 77.842 -30.964 4.823 1.00 17.26 C -ATOM 3605 OD1 ASN B 178 77.345 -31.257 3.750 1.00 22.45 O -ATOM 3606 ND2 ASN B 178 77.210 -31.109 5.971 1.00 24.01 N -ATOM 3607 C ASN B 178 78.368 -28.045 4.284 1.00 9.93 C -ATOM 3608 O ASN B 178 77.276 -27.895 3.684 1.00 9.71 O -ATOM 3609 N ASP B 179 78.754 -27.244 5.270 1.00 8.86 N -ATOM 3610 CA ASP B 179 77.879 -26.132 5.729 1.00 10.30 C -ATOM 3611 CB ASP B 179 78.524 -25.318 6.844 1.00 10.47 C -ATOM 3612 CG ASP B 179 78.759 -26.053 8.141 1.00 11.45 C -ATOM 3613 OD1 ASP B 179 77.984 -26.999 8.423 1.00 13.67 O -ATOM 3614 OD2 ASP B 179 79.679 -25.650 8.866 1.00 11.79 O -ATOM 3615 C ASP B 179 77.651 -25.163 4.572 1.00 9.15 C -ATOM 3616 O ASP B 179 76.627 -24.520 4.525 1.00 9.62 O -ATOM 3617 N LEU B 180 78.617 -25.024 3.666 1.00 8.34 N -ATOM 3618 CA LEU B 180 78.612 -24.056 2.551 1.00 9.14 C -ATOM 3619 CB LEU B 180 79.988 -23.414 2.413 1.00 8.70 C -ATOM 3620 CG LEU B 180 80.450 -22.577 3.590 1.00 8.61 C -ATOM 3621 CD1 LEU B 180 81.904 -22.163 3.363 1.00 9.10 C -ATOM 3622 CD2 LEU B 180 79.567 -21.357 3.770 1.00 9.84 C -ATOM 3623 C LEU B 180 78.184 -24.703 1.239 1.00 8.01 C -ATOM 3624 O LEU B 180 78.379 -24.095 0.184 1.00 8.66 O -ATOM 3625 N GLN B 181 77.537 -25.873 1.272 1.00 9.03 N -ATOM 3626 CA GLN B 181 77.027 -26.484 0.025 1.00 10.14 C -ATOM 3627 CB GLN B 181 76.300 -27.809 0.272 1.00 13.63 C -ATOM 3628 CG GLN B 181 75.062 -27.744 1.142 1.00 17.49 C -ATOM 3629 CD GLN B 181 73.774 -27.439 0.405 1.00 21.48 C -ATOM 3630 OE1 GLN B 181 73.658 -27.636 -0.809 1.00 27.81 O -ATOM 3631 NE2 GLN B 181 72.784 -26.945 1.141 1.00 26.12 N -ATOM 3632 C GLN B 181 76.138 -25.459 -0.675 1.00 8.58 C -ATOM 3633 O GLN B 181 75.273 -24.844 -0.023 1.00 9.10 O -ATOM 3634 N GLY B 182 76.259 -25.400 -1.979 1.00 9.16 N -ATOM 3635 CA GLY B 182 75.366 -24.558 -2.786 1.00 10.20 C -ATOM 3636 C GLY B 182 75.696 -23.078 -2.668 1.00 9.70 C -ATOM 3637 O GLY B 182 74.956 -22.287 -3.242 1.00 10.50 O -ATOM 3638 N LYS B 183 76.738 -22.684 -1.929 1.00 8.57 N -ATOM 3639 CA LYS B 183 77.016 -21.241 -1.730 1.00 8.47 C -ATOM 3640 CB LYS B 183 77.470 -20.959 -0.301 1.00 8.53 C -ATOM 3641 CG LYS B 183 76.510 -21.469 0.767 1.00 9.59 C -ATOM 3642 CD LYS B 183 75.124 -20.869 0.736 1.00 10.51 C -ATOM 3643 CE LYS B 183 75.089 -19.434 1.177 1.00 10.07 C -ATOM 3644 NZ LYS B 183 73.712 -18.956 0.905 1.00 10.94 N -ATOM 3645 C LYS B 183 78.036 -20.703 -2.725 1.00 7.44 C -ATOM 3646 O LYS B 183 78.792 -21.459 -3.337 1.00 8.48 O -ATOM 3647 N VAL B 184 77.960 -19.379 -2.867 1.00 7.25 N -ATOM 3648 CA VAL B 184 78.898 -18.598 -3.697 1.00 7.13 C -ATOM 3649 CB VAL B 184 78.186 -17.954 -4.895 1.00 7.58 C -ATOM 3650 CG1 VAL B 184 79.120 -17.023 -5.660 1.00 8.31 C -ATOM 3651 CG2 VAL B 184 77.606 -19.029 -5.817 1.00 7.40 C -ATOM 3652 C VAL B 184 79.534 -17.563 -2.783 1.00 7.13 C -ATOM 3653 O VAL B 184 78.821 -16.849 -2.087 1.00 7.38 O -ATOM 3654 N LEU B 185 80.850 -17.460 -2.849 1.00 6.42 N -ATOM 3655 CA LEU B 185 81.644 -16.425 -2.153 1.00 6.90 C -ATOM 3656 CB LEU B 185 82.754 -17.073 -1.326 1.00 6.85 C -ATOM 3657 CG LEU B 185 82.337 -17.755 -0.030 1.00 7.08 C -ATOM 3658 CD1 LEU B 185 81.577 -19.051 -0.309 1.00 7.99 C -ATOM 3659 CD2 LEU B 185 83.571 -18.053 0.818 1.00 7.80 C -ATOM 3660 C LEU B 185 82.271 -15.500 -3.182 1.00 6.75 C -ATOM 3661 O LEU B 185 82.919 -16.004 -4.102 1.00 8.18 O -ATOM 3662 N LEU B 186 82.066 -14.211 -3.040 1.00 6.25 N -ATOM 3663 CA LEU B 186 82.614 -13.227 -3.968 1.00 6.30 C -ATOM 3664 CB LEU B 186 81.521 -12.222 -4.315 1.00 6.78 C -ATOM 3665 CG LEU B 186 80.272 -12.827 -4.923 1.00 7.40 C -ATOM 3666 CD1 LEU B 186 79.261 -11.721 -5.188 1.00 7.96 C -ATOM 3667 CD2 LEU B 186 80.578 -13.589 -6.179 1.00 8.07 C -ATOM 3668 C LEU B 186 83.795 -12.533 -3.296 1.00 5.83 C -ATOM 3669 O LEU B 186 83.698 -12.175 -2.125 1.00 6.45 O -ATOM 3670 N VAL B 187 84.845 -12.261 -4.067 1.00 5.53 N -ATOM 3671 CA VAL B 187 86.107 -11.712 -3.536 1.00 6.21 C -ATOM 3672 CB VAL B 187 87.219 -12.768 -3.534 1.00 6.14 C -ATOM 3673 CG1 VAL B 187 88.482 -12.163 -2.877 1.00 6.51 C -ATOM 3674 CG2 VAL B 187 86.761 -14.032 -2.840 1.00 6.42 C -ATOM 3675 C VAL B 187 86.510 -10.536 -4.412 1.00 5.96 C -ATOM 3676 O VAL B 187 86.510 -10.679 -5.635 1.00 7.87 O -ATOM 3677 N LEU B 188 86.802 -9.402 -3.810 1.00 5.84 N -ATOM 3678 CA LEU B 188 87.230 -8.198 -4.560 1.00 6.08 C -ATOM 3679 CB LEU B 188 86.605 -6.942 -3.949 1.00 6.53 C -ATOM 3680 CG LEU B 188 86.887 -5.644 -4.705 1.00 7.42 C -ATOM 3681 CD1 LEU B 188 86.277 -5.662 -6.098 1.00 8.79 C -ATOM 3682 CD2 LEU B 188 86.331 -4.456 -3.922 1.00 8.18 C -ATOM 3683 C LEU B 188 88.758 -8.102 -4.538 1.00 6.13 C -ATOM 3684 O LEU B 188 89.381 -8.156 -3.430 1.00 6.43 O -ATOM 3685 N ASN B 189 89.357 -7.963 -5.707 1.00 5.77 N -ATOM 3686 CA ASN B 189 90.781 -7.584 -5.845 1.00 6.42 C -ATOM 3687 CB ASN B 189 91.589 -8.667 -6.551 1.00 6.67 C -ATOM 3688 CG ASN B 189 91.755 -9.990 -5.825 1.00 6.42 C -ATOM 3689 OD1 ASN B 189 91.473 -10.178 -4.638 1.00 8.62 O -ATOM 3690 ND2 ASN B 189 92.245 -10.953 -6.547 1.00 6.50 N -ATOM 3691 C ASN B 189 90.899 -6.285 -6.648 1.00 6.76 C -ATOM 3692 O ASN B 189 89.939 -5.922 -7.377 1.00 6.89 O -ATOM 3693 N HIS B 190 92.036 -5.615 -6.514 1.00 7.92 N -ATOM 3694 CA HIS B 190 92.383 -4.402 -7.293 1.00 7.79 C -ATOM 3695 CB HIS B 190 91.606 -3.178 -6.797 1.00 7.60 C -ATOM 3696 CG HIS B 190 91.668 -2.009 -7.712 1.00 8.01 C -ATOM 3697 ND1 HIS B 190 92.782 -1.196 -7.760 1.00 8.03 N -ATOM 3698 CE1 HIS B 190 92.571 -0.254 -8.660 1.00 8.06 C -ATOM 3699 NE2 HIS B 190 91.330 -0.443 -9.186 1.00 8.66 N -ATOM 3700 CD2 HIS B 190 90.754 -1.518 -8.581 1.00 8.62 C -ATOM 3701 C HIS B 190 93.889 -4.238 -7.167 1.00 8.74 C -ATOM 3702 O HIS B 190 94.430 -4.703 -6.141 1.00 9.43 O -ATOM 3703 N SER B 191 94.545 -3.566 -8.085 1.00 8.88 N -ATOM 3704 CA SER B 191 95.999 -3.313 -7.927 1.00 10.04 C -ATOM 3705 CB SER B 191 96.606 -2.750 -9.171 1.00 12.33 C -ATOM 3706 OG SER B 191 96.057 -1.495 -9.429 1.00 16.39 O -ATOM 3707 C SER B 191 96.220 -2.379 -6.725 1.00 8.81 C -ATOM 3708 O SER B 191 97.315 -2.427 -6.125 1.00 9.47 O -ATOM 3709 N GLU B 192 95.225 -1.586 -6.363 1.00 7.96 N -ATOM 3710 CA GLU B 192 95.370 -0.559 -5.318 1.00 8.11 C -ATOM 3711 CB GLU B 192 95.007 0.830 -5.822 1.00 9.44 C -ATOM 3712 CG GLU B 192 95.892 1.332 -6.928 1.00 12.19 C -ATOM 3713 CD GLU B 192 95.372 2.576 -7.607 1.00 14.65 C -ATOM 3714 OE1 GLU B 192 94.623 3.322 -6.959 1.00 17.51 O -ATOM 3715 OE2 GLU B 192 95.686 2.727 -8.790 1.00 21.27 O -ATOM 3716 C GLU B 192 94.425 -0.877 -4.173 1.00 7.25 C -ATOM 3717 O GLU B 192 93.196 -0.854 -4.313 1.00 7.49 O -ATOM 3718 N ASN B 193 94.999 -1.143 -3.009 1.00 7.09 N -ATOM 3719 CA ASN B 193 94.145 -1.469 -1.843 1.00 6.47 C -ATOM 3720 CB ASN B 193 95.017 -1.801 -0.633 1.00 6.79 C -ATOM 3721 CG ASN B 193 95.739 -3.129 -0.776 1.00 6.66 C -ATOM 3722 OD1 ASN B 193 95.300 -3.967 -1.573 1.00 6.73 O -ATOM 3723 ND2 ASN B 193 96.829 -3.340 -0.030 1.00 6.32 N -ATOM 3724 C ASN B 193 93.215 -0.312 -1.473 1.00 6.61 C -ATOM 3725 O ASN B 193 92.201 -0.544 -0.837 1.00 6.34 O -ATOM 3726 N GLN B 194 93.532 0.913 -1.910 1.00 6.96 N -ATOM 3727 CA GLN B 194 92.615 2.057 -1.684 1.00 7.26 C -ATOM 3728 CB GLN B 194 93.107 3.313 -2.405 1.00 7.97 C -ATOM 3729 CG GLN B 194 94.315 3.951 -1.770 1.00 10.15 C -ATOM 3730 CD GLN B 194 95.669 3.319 -2.008 1.00 10.28 C -ATOM 3731 OE1 GLN B 194 95.840 2.231 -2.604 1.00 11.15 O -ATOM 3732 NE2 GLN B 194 96.667 4.064 -1.517 1.00 11.74 N -ATOM 3733 C GLN B 194 91.194 1.712 -2.186 1.00 6.15 C -ATOM 3734 O GLN B 194 90.204 2.127 -1.578 1.00 6.88 O -ATOM 3735 N LYS B 195 91.060 1.064 -3.312 1.00 7.19 N -ATOM 3736 CA LYS B 195 89.741 0.749 -3.905 1.00 7.88 C -ATOM 3737 CB LYS B 195 89.896 0.242 -5.344 1.00 8.66 C -ATOM 3738 CG LYS B 195 89.873 1.365 -6.375 1.00 9.70 C -ATOM 3739 CD LYS B 195 90.971 2.387 -6.238 1.00 11.08 C -ATOM 3740 CE LYS B 195 91.020 3.296 -7.455 1.00 11.70 C -ATOM 3741 NZ LYS B 195 92.022 4.376 -7.342 1.00 13.73 N -ATOM 3742 C LYS B 195 88.963 -0.224 -3.003 1.00 7.43 C -ATOM 3743 O LYS B 195 87.734 -0.155 -2.930 1.00 7.49 O -ATOM 3744 N LEU B 196 89.689 -1.147 -2.364 1.00 6.26 N -ATOM 3745 CA LEU B 196 89.063 -2.080 -1.403 1.00 6.66 C -ATOM 3746 CB LEU B 196 90.010 -3.228 -1.062 1.00 6.50 C -ATOM 3747 CG LEU B 196 90.057 -4.396 -2.038 1.00 7.40 C -ATOM 3748 CD1 LEU B 196 90.232 -4.032 -3.487 1.00 8.07 C -ATOM 3749 CD2 LEU B 196 91.139 -5.381 -1.625 1.00 7.36 C -ATOM 3750 C LEU B 196 88.657 -1.320 -0.150 1.00 6.33 C -ATOM 3751 O LEU B 196 87.600 -1.557 0.416 1.00 7.01 O -ATOM 3752 N SER B 197 89.461 -0.383 0.295 1.00 6.48 N -ATOM 3753 CA SER B 197 89.156 0.450 1.483 1.00 6.62 C -ATOM 3754 CB SER B 197 90.335 1.308 1.822 1.00 7.13 C -ATOM 3755 OG SER B 197 90.169 1.865 3.108 1.00 7.59 O -ATOM 3756 C SER B 197 87.899 1.257 1.213 1.00 7.25 C -ATOM 3757 O SER B 197 87.032 1.360 2.080 1.00 7.99 O -ATOM 3758 N GLN B 198 87.816 1.822 0.032 1.00 7.09 N -ATOM 3759 CA GLN B 198 86.628 2.598 -0.361 1.00 7.66 C -ATOM 3760 CB GLN B 198 86.840 3.190 -1.750 1.00 7.51 C -ATOM 3761 CG GLN B 198 87.817 4.369 -1.737 1.00 8.94 C -ATOM 3762 CD GLN B 198 88.512 4.564 -3.059 1.00 10.66 C -ATOM 3763 OE1 GLN B 198 88.086 4.050 -4.079 1.00 12.55 O -ATOM 3764 NE2 GLN B 198 89.621 5.289 -3.056 1.00 15.22 N -ATOM 3765 C GLN B 198 85.374 1.714 -0.321 1.00 7.48 C -ATOM 3766 O GLN B 198 84.311 2.149 0.135 1.00 8.17 O -ATOM 3767 N TYR B 199 85.463 0.511 -0.859 1.00 6.83 N -ATOM 3768 CA TYR B 199 84.323 -0.417 -0.896 1.00 7.08 C -ATOM 3769 CB TYR B 199 84.737 -1.683 -1.651 1.00 6.67 C -ATOM 3770 CG TYR B 199 83.671 -2.758 -1.572 1.00 6.35 C -ATOM 3771 CD1 TYR B 199 82.566 -2.778 -2.421 1.00 6.52 C -ATOM 3772 CE1 TYR B 199 81.560 -3.738 -2.289 1.00 6.97 C -ATOM 3773 CZ TYR B 199 81.648 -4.684 -1.280 1.00 6.44 C -ATOM 3774 OH TYR B 199 80.701 -5.641 -1.086 1.00 7.48 O -ATOM 3775 CE2 TYR B 199 82.751 -4.687 -0.431 1.00 6.67 C -ATOM 3776 CD2 TYR B 199 83.739 -3.729 -0.572 1.00 6.52 C -ATOM 3777 C TYR B 199 83.900 -0.717 0.530 1.00 6.98 C -ATOM 3778 O TYR B 199 82.709 -0.648 0.868 1.00 6.88 O -ATOM 3779 N ALA B 200 84.851 -1.085 1.402 1.00 7.10 N -ATOM 3780 CA ALA B 200 84.518 -1.484 2.792 1.00 7.15 C -ATOM 3781 CB ALA B 200 85.680 -2.087 3.514 1.00 6.93 C -ATOM 3782 C ALA B 200 83.946 -0.319 3.588 1.00 7.77 C -ATOM 3783 O ALA B 200 83.031 -0.494 4.371 1.00 8.37 O -ATOM 3784 N GLU B 201 84.465 0.859 3.349 1.00 8.61 N -ATOM 3785 CA GLU B 201 83.954 2.037 4.067 1.00 9.00 C -ATOM 3786 CB GLU B 201 84.857 3.242 3.869 1.00 10.92 C -ATOM 3787 CG GLU B 201 86.104 3.111 4.740 1.00 15.27 C -ATOM 3788 CD GLU B 201 86.908 4.356 5.047 1.00 17.99 C -ATOM 3789 OE1 GLU B 201 86.672 5.412 4.408 1.00 20.60 O -ATOM 3790 OE2 GLU B 201 87.777 4.258 5.954 1.00 21.36 O -ATOM 3791 C GLU B 201 82.541 2.339 3.600 1.00 8.76 C -ATOM 3792 O GLU B 201 81.717 2.787 4.391 1.00 9.60 O -ATOM 3793 N ALA B 202 82.227 2.094 2.343 1.00 8.11 N -ATOM 3794 CA ALA B 202 80.886 2.381 1.796 1.00 7.91 C -ATOM 3795 CB ALA B 202 80.905 2.364 0.295 1.00 8.86 C -ATOM 3796 C ALA B 202 79.887 1.360 2.314 1.00 8.08 C -ATOM 3797 O ALA B 202 78.738 1.709 2.637 1.00 10.24 O -ATOM 3798 N ARG B 203 80.269 0.086 2.372 1.00 8.20 N -ATOM 3799 CA ARG B 203 79.274 -1.000 2.578 1.00 8.20 C -ATOM 3800 CB ARG B 203 79.532 -2.136 1.595 1.00 8.32 C -ATOM 3801 CG ARG B 203 79.449 -1.740 0.129 1.00 8.79 C -ATOM 3802 CD ARG B 203 78.205 -0.912 -0.232 1.00 8.87 C -ATOM 3803 NE ARG B 203 77.002 -1.661 0.053 1.00 9.13 N -ATOM 3804 CZ ARG B 203 75.860 -1.192 0.582 1.00 11.96 C -ATOM 3805 NH1 ARG B 203 75.723 0.105 0.847 1.00 12.46 N -ATOM 3806 NH2 ARG B 203 74.844 -2.025 0.797 1.00 11.64 N -ATOM 3807 C ARG B 203 79.274 -1.561 3.995 1.00 8.11 C -ATOM 3808 O ARG B 203 78.267 -2.166 4.355 1.00 8.65 O -ATOM 3809 N THR B 204 80.372 -1.390 4.734 1.00 8.97 N -ATOM 3810 CA THR B 204 80.540 -1.892 6.130 1.00 10.23 C -ATOM 3811 CB THR B 204 80.022 -0.879 7.158 1.00 12.36 C -ATOM 3812 OG1 THR B 204 78.603 -0.739 7.053 1.00 13.64 O -ATOM 3813 CG2 THR B 204 80.734 0.451 7.051 1.00 13.76 C -ATOM 3814 C THR B 204 80.004 -3.325 6.249 1.00 10.72 C -ATOM 3815 O THR B 204 80.341 -4.189 5.450 1.00 10.20 O -ATOM 3816 N SER B 205 79.137 -3.586 7.223 1.00 10.66 N -ATOM 3817 CA SER B 205 78.633 -4.956 7.507 1.00 10.80 C -ATOM 3818 CB SER B 205 78.005 -5.019 8.882 1.00 12.78 C -ATOM 3819 OG SER B 205 76.846 -4.214 8.897 1.00 15.56 O -ATOM 3820 C SER B 205 77.637 -5.428 6.438 1.00 10.36 C -ATOM 3821 O SER B 205 77.308 -6.645 6.467 1.00 11.30 O -ATOM 3822 N LYS B 206 77.194 -4.569 5.524 1.00 10.17 N -ATOM 3823 CA LYS B 206 76.210 -4.965 4.498 1.00 10.54 C -ATOM 3824 CB LYS B 206 75.338 -3.767 4.156 1.00 12.43 C -ATOM 3825 CG LYS B 206 74.379 -3.331 5.258 1.00 16.05 C -ATOM 3826 CD LYS B 206 73.917 -1.909 4.971 1.00 21.35 C -ATOM 3827 CE LYS B 206 72.741 -1.455 5.804 1.00 26.63 C -ATOM 3828 NZ LYS B 206 73.094 -1.437 7.242 1.00 30.11 N -ATOM 3829 C LYS B 206 76.922 -5.508 3.268 1.00 8.76 C -ATOM 3830 O LYS B 206 76.254 -6.017 2.370 1.00 9.16 O -ATOM 3831 N ALA B 207 78.243 -5.457 3.242 1.00 8.06 N -ATOM 3832 CA ALA B 207 79.025 -5.843 2.057 1.00 7.50 C -ATOM 3833 CB ALA B 207 80.479 -5.892 2.384 1.00 7.54 C -ATOM 3834 C ALA B 207 78.585 -7.227 1.576 1.00 7.03 C -ATOM 3835 O ALA B 207 78.553 -8.209 2.366 1.00 8.18 O -ATOM 3836 N LYS B 208 78.403 -7.380 0.276 1.00 7.01 N -ATOM 3837 CA LYS B 208 78.138 -8.700 -0.333 1.00 7.16 C -ATOM 3838 CB LYS B 208 77.264 -8.545 -1.574 1.00 7.88 C -ATOM 3839 CG LYS B 208 75.870 -8.026 -1.272 1.00 8.65 C -ATOM 3840 CD LYS B 208 75.096 -8.904 -0.303 1.00 9.68 C -ATOM 3841 CE LYS B 208 73.657 -8.468 -0.176 1.00 10.97 C -ATOM 3842 NZ LYS B 208 73.001 -9.237 0.888 1.00 12.47 N -ATOM 3843 C LYS B 208 79.442 -9.397 -0.701 1.00 6.84 C -ATOM 3844 O LYS B 208 79.374 -10.578 -1.016 1.00 7.88 O -ATOM 3845 N VAL B 209 80.560 -8.683 -0.699 1.00 6.40 N -ATOM 3846 CA VAL B 209 81.828 -9.189 -1.265 1.00 7.19 C -ATOM 3847 CB VAL B 209 82.203 -8.355 -2.502 1.00 7.34 C -ATOM 3848 CG1 VAL B 209 83.473 -8.853 -3.171 1.00 7.69 C -ATOM 3849 CG2 VAL B 209 81.056 -8.263 -3.497 1.00 7.37 C -ATOM 3850 C VAL B 209 82.903 -9.098 -0.183 1.00 6.71 C -ATOM 3851 O VAL B 209 82.980 -8.091 0.534 1.00 7.29 O -ATOM 3852 N PHE B 210 83.759 -10.109 -0.108 1.00 6.09 N -ATOM 3853 CA PHE B 210 84.968 -10.123 0.743 1.00 6.12 C -ATOM 3854 CB PHE B 210 85.491 -11.557 0.873 1.00 5.82 C -ATOM 3855 CG PHE B 210 84.651 -12.462 1.742 1.00 5.98 C -ATOM 3856 CD1 PHE B 210 83.561 -13.152 1.209 1.00 6.33 C -ATOM 3857 CE1 PHE B 210 82.790 -13.974 2.023 1.00 6.80 C -ATOM 3858 CZ PHE B 210 83.102 -14.118 3.354 1.00 7.11 C -ATOM 3859 CD2 PHE B 210 84.941 -12.609 3.089 1.00 6.70 C -ATOM 3860 CE2 PHE B 210 84.168 -13.456 3.893 1.00 7.23 C -ATOM 3861 C PHE B 210 86.066 -9.293 0.090 1.00 5.60 C -ATOM 3862 O PHE B 210 86.435 -9.575 -1.043 1.00 8.33 O -ATOM 3863 N ILE B 211 86.699 -8.377 0.803 1.00 5.65 N -ATOM 3864 CA ILE B 211 87.893 -7.683 0.262 1.00 5.79 C -ATOM 3865 CB ILE B 211 88.018 -6.278 0.835 1.00 6.02 C -ATOM 3866 CG1 ILE B 211 88.138 -6.216 2.351 1.00 6.19 C -ATOM 3867 CG2 ILE B 211 86.865 -5.397 0.313 1.00 6.03 C -ATOM 3868 CD1 ILE B 211 88.680 -4.886 2.828 1.00 7.39 C -ATOM 3869 C ILE B 211 89.114 -8.549 0.513 1.00 5.76 C -ATOM 3870 O ILE B 211 89.276 -9.111 1.577 1.00 6.25 O -ATOM 3871 N SER B 212 90.011 -8.570 -0.444 1.00 5.47 N -ATOM 3872 CA SER B 212 91.265 -9.368 -0.331 1.00 5.47 C -ATOM 3873 CB SER B 212 91.137 -10.640 -1.093 1.00 5.45 C -ATOM 3874 OG SER B 212 92.332 -11.396 -0.898 1.00 6.69 O -ATOM 3875 C SER B 212 92.409 -8.482 -0.783 1.00 5.39 C -ATOM 3876 O SER B 212 92.703 -8.455 -1.970 1.00 6.44 O -ATOM 3877 N PRO B 213 93.066 -7.753 0.119 1.00 5.59 N -ATOM 3878 CA PRO B 213 94.088 -6.810 -0.315 1.00 5.71 C -ATOM 3879 CB PRO B 213 94.353 -5.981 0.969 1.00 6.07 C -ATOM 3880 CG PRO B 213 93.992 -6.900 2.103 1.00 6.13 C -ATOM 3881 CD PRO B 213 92.816 -7.692 1.571 1.00 5.97 C -ATOM 3882 C PRO B 213 95.379 -7.464 -0.800 1.00 5.60 C -ATOM 3883 O PRO B 213 95.751 -8.554 -0.391 1.00 5.89 O -ATOM 3884 N VAL B 214 96.049 -6.694 -1.629 1.00 5.73 N -ATOM 3885 CA VAL B 214 97.445 -6.950 -1.998 1.00 6.27 C -ATOM 3886 CB VAL B 214 98.006 -5.869 -2.930 1.00 7.05 C -ATOM 3887 CG1 VAL B 214 99.483 -6.110 -3.139 1.00 7.59 C -ATOM 3888 CG2 VAL B 214 97.251 -5.765 -4.254 1.00 8.01 C -ATOM 3889 C VAL B 214 98.234 -7.060 -0.702 1.00 6.22 C -ATOM 3890 O VAL B 214 98.182 -6.157 0.148 1.00 6.49 O -ATOM 3891 N THR B 215 98.953 -8.157 -0.553 1.00 6.17 N -ATOM 3892 CA THR B 215 99.641 -8.524 0.703 1.00 6.46 C -ATOM 3893 CB THR B 215 98.974 -9.785 1.248 1.00 6.52 C -ATOM 3894 OG1 THR B 215 97.597 -9.500 1.515 1.00 6.61 O -ATOM 3895 CG2 THR B 215 99.651 -10.306 2.500 1.00 7.31 C -ATOM 3896 C THR B 215 101.123 -8.714 0.478 1.00 7.34 C -ATOM 3897 O THR B 215 101.524 -9.613 -0.266 1.00 7.71 O -ATOM 3898 N ASN B 216 101.919 -7.865 1.126 1.00 7.16 N -ATOM 3899 CA ASN B 216 103.390 -8.023 1.017 1.00 9.09 C -ATOM 3900 CB ASN B 216 103.981 -7.250 -0.154 1.00 11.44 C -ATOM 3901 CG ASN B 216 103.680 -5.791 -0.079 1.00 11.94 C -ATOM 3902 OD1 ASN B 216 103.664 -5.214 0.996 1.00 15.89 O -ATOM 3903 ND2 ASN B 216 103.506 -5.200 -1.250 1.00 13.95 N -ATOM 3904 C ASN B 216 104.088 -7.674 2.329 1.00 8.21 C -ATOM 3905 O ASN B 216 105.329 -7.546 2.339 1.00 10.81 O -ATOM 3906 N GLY B 217 103.371 -7.576 3.429 1.00 8.10 N -ATOM 3907 CA GLY B 217 103.982 -7.391 4.754 1.00 7.70 C -ATOM 3908 C GLY B 217 102.970 -7.805 5.794 1.00 6.99 C -ATOM 3909 O GLY B 217 101.750 -8.007 5.499 1.00 6.77 O -ATOM 3910 N GLN B 218 103.434 -7.976 7.009 1.00 6.74 N -ATOM 3911 CA GLN B 218 102.606 -8.492 8.114 1.00 6.73 C -ATOM 3912 CB GLN B 218 103.449 -8.594 9.387 1.00 6.87 C -ATOM 3913 CG GLN B 218 102.639 -9.142 10.567 1.00 6.92 C -ATOM 3914 CD GLN B 218 102.373 -10.619 10.431 1.00 6.41 C -ATOM 3915 OE1 GLN B 218 103.291 -11.402 10.122 1.00 6.90 O -ATOM 3916 NE2 GLN B 218 101.146 -11.031 10.710 1.00 6.34 N -ATOM 3917 C GLN B 218 101.386 -7.592 8.325 1.00 6.34 C -ATOM 3918 O GLN B 218 100.308 -8.114 8.648 1.00 6.81 O -ATOM 3919 N ASN B 219 101.566 -6.308 8.230 1.00 6.66 N -ATOM 3920 CA ASN B 219 100.432 -5.408 8.482 1.00 6.37 C -ATOM 3921 CB ASN B 219 100.834 -3.948 8.385 1.00 6.59 C -ATOM 3922 CG ASN B 219 101.467 -3.594 7.068 1.00 6.82 C -ATOM 3923 OD1 ASN B 219 102.526 -4.132 6.752 1.00 8.12 O -ATOM 3924 ND2 ASN B 219 100.829 -2.709 6.317 1.00 6.80 N -ATOM 3925 C ASN B 219 99.258 -5.650 7.528 1.00 5.80 C -ATOM 3926 O ASN B 219 98.137 -5.305 7.857 1.00 6.16 O -ATOM 3927 N ASP B 220 99.523 -6.200 6.340 1.00 5.56 N -ATOM 3928 CA ASP B 220 98.436 -6.465 5.373 1.00 5.68 C -ATOM 3929 CB ASP B 220 99.056 -6.716 4.022 1.00 6.39 C -ATOM 3930 CG ASP B 220 99.802 -5.524 3.449 1.00 6.50 C -ATOM 3931 OD1 ASP B 220 99.426 -4.377 3.740 1.00 7.47 O -ATOM 3932 OD2 ASP B 220 100.809 -5.813 2.745 1.00 7.20 O -ATOM 3933 C ASP B 220 97.585 -7.638 5.820 1.00 6.00 C -ATOM 3934 O ASP B 220 96.445 -7.801 5.331 1.00 6.40 O -ATOM 3935 N ILE B 221 98.109 -8.513 6.674 1.00 6.20 N -ATOM 3936 CA ILE B 221 97.325 -9.609 7.311 1.00 6.78 C -ATOM 3937 CB ILE B 221 98.248 -10.768 7.709 1.00 7.71 C -ATOM 3938 CG1 ILE B 221 99.093 -11.265 6.538 1.00 9.22 C -ATOM 3939 CG2 ILE B 221 97.408 -11.872 8.382 1.00 8.55 C -ATOM 3940 CD1 ILE B 221 98.384 -12.135 5.627 1.00 11.79 C -ATOM 3941 C ILE B 221 96.664 -9.074 8.568 1.00 5.83 C -ATOM 3942 O ILE B 221 95.465 -9.292 8.741 1.00 6.27 O -ATOM 3943 N SER B 222 97.382 -8.401 9.453 1.00 5.76 N -ATOM 3944 CA SER B 222 96.978 -8.293 10.870 1.00 6.15 C -ATOM 3945 CB SER B 222 97.877 -9.150 11.697 1.00 6.20 C -ATOM 3946 OG SER B 222 99.243 -8.831 11.490 1.00 6.77 O -ATOM 3947 C SER B 222 97.000 -6.872 11.403 1.00 5.98 C -ATOM 3948 O SER B 222 96.730 -6.736 12.597 1.00 6.51 O -ATOM 3949 N GLY B 223 97.321 -5.863 10.598 1.00 6.38 N -ATOM 3950 CA GLY B 223 97.323 -4.491 11.113 1.00 6.48 C -ATOM 3951 C GLY B 223 96.661 -3.539 10.159 1.00 5.66 C -ATOM 3952 O GLY B 223 95.658 -3.924 9.503 1.00 6.20 O -ATOM 3953 N LYS B 224 97.154 -2.311 10.123 1.00 6.01 N -ATOM 3954 CA LYS B 224 96.629 -1.338 9.165 1.00 6.19 C -ATOM 3955 CB LYS B 224 97.017 0.068 9.557 1.00 6.75 C -ATOM 3956 CG LYS B 224 96.545 1.102 8.537 1.00 7.36 C -ATOM 3957 CD LYS B 224 97.359 2.395 8.494 1.00 10.24 C -ATOM 3958 CE LYS B 224 97.151 3.217 7.221 1.00 11.65 C -ATOM 3959 NZ LYS B 224 97.446 2.430 5.968 1.00 12.10 N -ATOM 3960 C LYS B 224 97.217 -1.705 7.808 1.00 5.76 C -ATOM 3961 O LYS B 224 98.456 -1.678 7.607 1.00 6.35 O -ATOM 3962 N VAL B 225 96.361 -2.171 6.911 1.00 5.72 N -ATOM 3963 CA VAL B 225 96.759 -2.691 5.603 1.00 5.46 C -ATOM 3964 CB VAL B 225 95.545 -3.353 4.943 1.00 5.59 C -ATOM 3965 CG1 VAL B 225 95.832 -3.768 3.514 1.00 5.65 C -ATOM 3966 CG2 VAL B 225 95.084 -4.552 5.794 1.00 5.72 C -ATOM 3967 C VAL B 225 97.295 -1.524 4.792 1.00 5.39 C -ATOM 3968 O VAL B 225 96.695 -0.443 4.800 1.00 5.80 O -ATOM 3969 N SER B 226 98.378 -1.764 4.062 1.00 6.08 N -ATOM 3970 CA SER B 226 98.917 -0.730 3.150 1.00 7.91 C -ATOM 3971 CB SER B 226 100.054 -1.243 2.342 1.00 8.81 C -ATOM 3972 OG SER B 226 101.126 -1.510 3.238 1.00 12.74 O -ATOM 3973 C SER B 226 97.809 -0.211 2.240 1.00 7.25 C -ATOM 3974 O SER B 226 97.107 -1.035 1.621 1.00 7.29 O -ATOM 3975 N GLY B 227 97.660 1.087 2.161 1.00 6.59 N -ATOM 3976 CA GLY B 227 96.678 1.758 1.297 1.00 7.31 C -ATOM 3977 C GLY B 227 95.262 1.726 1.820 1.00 7.45 C -ATOM 3978 O GLY B 227 94.410 2.173 1.065 1.00 9.32 O -ATOM 3979 N MET B 228 95.013 1.243 3.039 1.00 6.83 N -ATOM 3980 CA MET B 228 93.660 1.192 3.591 1.00 6.69 C -ATOM 3981 CB MET B 228 93.206 -0.250 3.765 1.00 6.97 C -ATOM 3982 CG MET B 228 93.275 -1.049 2.508 1.00 6.63 C -ATOM 3983 SD MET B 228 91.941 -2.270 2.254 1.00 8.12 S -ATOM 3984 CE MET B 228 92.001 -3.093 3.837 1.00 8.35 C -ATOM 3985 C MET B 228 93.603 1.901 4.927 1.00 7.03 C -ATOM 3986 O MET B 228 94.600 2.003 5.653 1.00 7.63 O -ATOM 3987 N SER B 229 92.403 2.307 5.310 1.00 6.62 N -ATOM 3988 CA SER B 229 92.137 2.806 6.662 1.00 7.48 C -ATOM 3989 CB SER B 229 90.788 3.480 6.714 1.00 7.30 C -ATOM 3990 OG SER B 229 89.777 2.510 6.479 1.00 7.48 O -ATOM 3991 C SER B 229 92.211 1.626 7.629 1.00 7.40 C -ATOM 3992 O SER B 229 92.019 0.450 7.263 1.00 6.73 O -ATOM 3993 N SER B 230 92.337 1.955 8.902 1.00 7.57 N -ATOM 3994 CA SER B 230 92.222 0.971 9.997 1.00 8.22 C -ATOM 3995 CB SER B 230 92.532 1.649 11.304 1.00 8.73 C -ATOM 3996 OG SER B 230 92.479 0.714 12.358 1.00 13.18 O -ATOM 3997 C SER B 230 90.828 0.358 9.994 1.00 7.29 C -ATOM 3998 O SER B 230 90.703 -0.858 10.163 1.00 7.52 O -ATOM 3999 N GLN B 231 89.833 1.184 9.791 1.00 8.02 N -ATOM 4000 CA GLN B 231 88.467 0.668 9.826 1.00 8.46 C -ATOM 4001 CB GLN B 231 87.456 1.804 9.656 1.00 10.57 C -ATOM 4002 CG GLN B 231 85.996 1.358 9.476 1.00 15.92 C -ATOM 4003 CD GLN B 231 85.050 2.425 8.956 1.00 18.80 C -ATOM 4004 OE1 GLN B 231 83.964 2.137 8.409 1.00 18.42 O -ATOM 4005 NE2 GLN B 231 85.451 3.683 9.118 1.00 25.14 N -ATOM 4006 C GLN B 231 88.295 -0.377 8.720 1.00 6.68 C -ATOM 4007 O GLN B 231 87.704 -1.449 8.969 1.00 6.74 O -ATOM 4008 N SER B 232 88.735 -0.127 7.509 1.00 6.43 N -ATOM 4009 CA SER B 232 88.555 -1.097 6.416 1.00 6.96 C -ATOM 4010 CB SER B 232 88.886 -0.443 5.123 1.00 7.56 C -ATOM 4011 OG SER B 232 87.882 0.507 4.812 1.00 8.99 O -ATOM 4012 C SER B 232 89.418 -2.322 6.639 1.00 6.31 C -ATOM 4013 O SER B 232 89.005 -3.427 6.292 1.00 6.87 O -ATOM 4014 N SER B 233 90.595 -2.130 7.229 1.00 6.11 N -ATOM 4015 CA SER B 233 91.482 -3.276 7.534 1.00 5.99 C -ATOM 4016 CB SER B 233 92.725 -2.768 8.232 1.00 5.73 C -ATOM 4017 OG SER B 233 93.484 -1.923 7.381 1.00 5.94 O -ATOM 4018 C SER B 233 90.776 -4.311 8.407 1.00 6.30 C -ATOM 4019 O SER B 233 91.058 -5.504 8.249 1.00 6.21 O -ATOM 4020 N GLY B 234 89.904 -3.841 9.302 1.00 5.92 N -ATOM 4021 CA GLY B 234 89.236 -4.781 10.222 1.00 6.06 C -ATOM 4022 C GLY B 234 88.291 -5.780 9.551 1.00 6.33 C -ATOM 4023 O GLY B 234 87.968 -6.807 10.185 1.00 6.77 O -ATOM 4024 N TYR B 235 87.886 -5.544 8.322 1.00 6.26 N -ATOM 4025 CA TYR B 235 86.998 -6.433 7.545 1.00 6.18 C -ATOM 4026 CB TYR B 235 86.182 -5.625 6.537 1.00 6.72 C -ATOM 4027 CG TYR B 235 85.136 -4.732 7.174 1.00 6.91 C -ATOM 4028 CD1 TYR B 235 85.422 -3.423 7.559 1.00 7.39 C -ATOM 4029 CE1 TYR B 235 84.491 -2.621 8.192 1.00 8.58 C -ATOM 4030 CZ TYR B 235 83.231 -3.113 8.482 1.00 8.61 C -ATOM 4031 OH TYR B 235 82.260 -2.342 9.091 1.00 11.36 O -ATOM 4032 CE2 TYR B 235 82.928 -4.404 8.114 1.00 8.75 C -ATOM 4033 CD2 TYR B 235 83.869 -5.194 7.480 1.00 7.34 C -ATOM 4034 C TYR B 235 87.804 -7.482 6.810 1.00 6.27 C -ATOM 4035 O TYR B 235 87.200 -8.313 6.134 1.00 7.81 O -ATOM 4036 N VAL B 236 89.132 -7.445 6.835 1.00 5.74 N -ATOM 4037 CA VAL B 236 89.928 -8.341 5.973 1.00 6.04 C -ATOM 4038 CB VAL B 236 91.350 -7.796 5.889 1.00 5.77 C -ATOM 4039 CG1 VAL B 236 92.279 -8.803 5.244 1.00 6.06 C -ATOM 4040 CG2 VAL B 236 91.349 -6.465 5.128 1.00 5.76 C -ATOM 4041 C VAL B 236 89.933 -9.777 6.486 1.00 5.95 C -ATOM 4042 O VAL B 236 90.444 -10.069 7.594 1.00 7.10 O -ATOM 4043 N ALA B 237 89.393 -10.653 5.666 1.00 5.83 N -ATOM 4044 CA ALA B 237 89.277 -12.106 5.945 1.00 5.57 C -ATOM 4045 CB ALA B 237 87.812 -12.488 6.050 1.00 5.82 C -ATOM 4046 C ALA B 237 89.947 -12.919 4.854 1.00 5.50 C -ATOM 4047 O ALA B 237 89.856 -14.132 4.861 1.00 5.55 O -ATOM 4048 N MET B 238 90.598 -12.245 3.929 1.00 5.33 N -ATOM 4049 CA MET B 238 91.212 -12.854 2.732 1.00 5.61 C -ATOM 4050 CB MET B 238 90.250 -12.889 1.548 1.00 5.80 C -ATOM 4051 CG MET B 238 89.033 -13.795 1.792 1.00 6.10 C -ATOM 4052 SD MET B 238 88.341 -14.280 0.232 1.00 6.78 S -ATOM 4053 CE MET B 238 86.995 -15.331 0.740 1.00 7.05 C -ATOM 4054 C MET B 238 92.429 -12.021 2.359 1.00 5.30 C -ATOM 4055 O MET B 238 92.469 -10.828 2.634 1.00 6.18 O -ATOM 4056 N ASN B 239 93.417 -12.648 1.722 1.00 5.19 N -ATOM 4057 CA ASN B 239 94.629 -11.910 1.338 1.00 5.95 C -ATOM 4058 CB ASN B 239 95.768 -12.105 2.374 1.00 5.97 C -ATOM 4059 CG ASN B 239 95.497 -11.428 3.688 1.00 6.12 C -ATOM 4060 OD1 ASN B 239 94.915 -12.029 4.613 1.00 6.62 O -ATOM 4061 ND2 ASN B 239 95.853 -10.174 3.705 1.00 6.05 N -ATOM 4062 C ASN B 239 95.055 -12.401 -0.031 1.00 6.26 C -ATOM 4063 O ASN B 239 95.006 -13.619 -0.298 1.00 6.45 O -ATOM 4064 N ASN B 240 95.555 -11.480 -0.837 1.00 5.79 N -ATOM 4065 CA ASN B 240 95.938 -11.729 -2.234 1.00 7.08 C -ATOM 4066 CB ASN B 240 95.135 -10.866 -3.199 1.00 9.44 C -ATOM 4067 CG ASN B 240 95.059 -11.605 -4.532 1.00 13.05 C -ATOM 4068 OD1 ASN B 240 94.674 -12.789 -4.649 1.00 13.92 O -ATOM 4069 ND2 ASN B 240 95.549 -10.949 -5.559 1.00 17.00 N -ATOM 4070 C ASN B 240 97.430 -11.484 -2.432 1.00 6.22 C -ATOM 4071 O ASN B 240 97.922 -10.400 -2.137 1.00 7.29 O -ATOM 4072 N MET B 241 98.126 -12.502 -2.889 1.00 7.00 N -ATOM 4073 CA MET B 241 99.600 -12.507 -2.999 1.00 7.40 C -ATOM 4074 CB MET B 241 100.165 -13.560 -2.046 1.00 8.81 C -ATOM 4075 CG MET B 241 100.153 -13.165 -0.587 1.00 9.68 C -ATOM 4076 SD MET B 241 98.731 -13.302 0.446 1.00 19.51 S -ATOM 4077 CE MET B 241 98.366 -15.062 0.369 1.00 10.74 C -ATOM 4078 C MET B 241 100.004 -12.902 -4.397 1.00 7.65 C -ATOM 4079 O MET B 241 99.546 -13.942 -4.896 1.00 8.88 O -ATOM 4080 N GLY B 242 100.948 -12.135 -4.939 1.00 8.65 N -ATOM 4081 CA GLY B 242 101.743 -12.572 -6.099 1.00 9.65 C -ATOM 4082 C GLY B 242 102.794 -13.597 -5.682 1.00 10.10 C -ATOM 4083 O GLY B 242 103.016 -13.888 -4.511 1.00 10.24 O -ATOM 4084 N LYS B 243 103.477 -14.146 -6.679 1.00 10.54 N -ATOM 4085 CA LYS B 243 104.482 -15.217 -6.549 1.00 12.44 C -ATOM 4086 CB LYS B 243 105.226 -15.426 -7.878 1.00 14.89 C -ATOM 4087 CG LYS B 243 106.444 -16.336 -7.798 1.00 16.32 C -ATOM 4088 CD LYS B 243 106.843 -16.942 -9.114 1.00 20.79 C -ATOM 4089 CE LYS B 243 107.686 -16.027 -9.966 1.00 21.88 C -ATOM 4090 NZ LYS B 243 108.307 -16.793 -11.076 1.00 23.02 N -ATOM 4091 C LYS B 243 105.514 -14.851 -5.478 1.00 11.29 C -ATOM 4092 O LYS B 243 105.829 -15.684 -4.658 1.00 12.75 O -ATOM 4093 N GLY B 244 106.023 -13.633 -5.558 1.00 10.85 N -ATOM 4094 CA GLY B 244 107.128 -13.139 -4.696 1.00 11.90 C -ATOM 4095 C GLY B 244 106.672 -12.889 -3.273 1.00 12.36 C -ATOM 4096 O GLY B 244 107.543 -12.673 -2.440 1.00 14.58 O -ATOM 4097 N ASP B 245 105.367 -12.891 -3.017 1.00 10.75 N -ATOM 4098 CA ASP B 245 104.776 -12.556 -1.699 1.00 11.07 C -ATOM 4099 CB ASP B 245 103.821 -11.387 -1.889 1.00 12.90 C -ATOM 4100 CG ASP B 245 104.562 -10.103 -2.262 1.00 13.59 C -ATOM 4101 OD1 ASP B 245 105.585 -9.774 -1.633 1.00 18.54 O -ATOM 4102 OD2 ASP B 245 104.158 -9.458 -3.199 1.00 16.24 O -ATOM 4103 C ASP B 245 104.134 -13.798 -1.074 1.00 9.81 C -ATOM 4104 O ASP B 245 103.519 -13.692 -0.023 1.00 9.37 O -ATOM 4105 N LYS B 246 104.341 -14.983 -1.627 1.00 9.19 N -ATOM 4106 CA LYS B 246 103.566 -16.158 -1.156 1.00 9.08 C -ATOM 4107 CB LYS B 246 103.690 -17.334 -2.119 1.00 9.05 C -ATOM 4108 CG LYS B 246 105.082 -17.917 -2.246 1.00 9.66 C -ATOM 4109 CD LYS B 246 105.054 -19.146 -3.115 1.00 9.79 C -ATOM 4110 CE LYS B 246 106.385 -19.841 -3.235 1.00 10.90 C -ATOM 4111 NZ LYS B 246 106.196 -21.061 -4.039 1.00 11.63 N -ATOM 4112 C LYS B 246 104.016 -16.579 0.252 1.00 9.39 C -ATOM 4113 O LYS B 246 103.279 -17.330 0.839 1.00 9.63 O -ATOM 4114 N SER B 247 105.201 -16.172 0.732 1.00 9.63 N -ATOM 4115 CA SER B 247 105.622 -16.468 2.123 1.00 10.31 C -ATOM 4116 CB SER B 247 106.962 -15.857 2.463 1.00 12.24 C -ATOM 4117 OG SER B 247 106.897 -14.444 2.416 1.00 16.26 O -ATOM 4118 C SER B 247 104.519 -16.007 3.086 1.00 9.90 C -ATOM 4119 O SER B 247 104.349 -16.639 4.157 1.00 11.06 O -ATOM 4120 N TRP B 248 103.742 -14.978 2.736 1.00 8.40 N -ATOM 4121 CA TRP B 248 102.714 -14.452 3.661 1.00 8.57 C -ATOM 4122 CB TRP B 248 102.319 -13.028 3.241 1.00 8.26 C -ATOM 4123 CG TRP B 248 103.438 -12.070 3.361 1.00 8.29 C -ATOM 4124 CD1 TRP B 248 104.184 -11.550 2.356 1.00 9.23 C -ATOM 4125 NE1 TRP B 248 105.194 -10.806 2.877 1.00 10.05 N -ATOM 4126 CE2 TRP B 248 105.142 -10.862 4.246 1.00 9.10 C -ATOM 4127 CD2 TRP B 248 104.051 -11.675 4.590 1.00 8.40 C -ATOM 4128 CE3 TRP B 248 103.782 -11.908 5.941 1.00 9.73 C -ATOM 4129 CZ3 TRP B 248 104.587 -11.356 6.906 1.00 9.96 C -ATOM 4130 CH2 TRP B 248 105.667 -10.563 6.567 1.00 10.97 C -ATOM 4131 CZ2 TRP B 248 105.960 -10.294 5.241 1.00 10.95 C -ATOM 4132 C TRP B 248 101.512 -15.388 3.773 1.00 8.45 C -ATOM 4133 O TRP B 248 100.670 -15.151 4.657 1.00 7.81 O -ATOM 4134 N ALA B 249 101.378 -16.395 2.912 1.00 9.06 N -ATOM 4135 CA ALA B 249 100.234 -17.317 3.036 1.00 8.36 C -ATOM 4136 CB ALA B 249 100.232 -18.298 1.908 1.00 8.53 C -ATOM 4137 C ALA B 249 100.275 -18.040 4.382 1.00 7.73 C -ATOM 4138 O ALA B 249 99.231 -18.363 4.884 1.00 7.80 O -ATOM 4139 N LYS B 250 101.452 -18.317 4.924 1.00 8.04 N -ATOM 4140 CA LYS B 250 101.521 -18.910 6.286 1.00 8.90 C -ATOM 4141 CB LYS B 250 102.985 -19.102 6.679 1.00 11.23 C -ATOM 4142 CG LYS B 250 103.750 -20.212 5.963 1.00 14.59 C -ATOM 4143 CD LYS B 250 105.218 -20.280 6.415 1.00 16.46 C -ATOM 4144 CE LYS B 250 106.094 -19.295 5.682 1.00 18.40 C -ATOM 4145 NZ LYS B 250 106.228 -19.718 4.273 1.00 20.34 N -ATOM 4146 C LYS B 250 100.835 -17.996 7.309 1.00 7.43 C -ATOM 4147 O LYS B 250 100.226 -18.515 8.255 1.00 8.19 O -ATOM 4148 N GLN B 251 100.989 -16.701 7.169 1.00 6.81 N -ATOM 4149 CA GLN B 251 100.326 -15.760 8.085 1.00 6.72 C -ATOM 4150 CB GLN B 251 100.944 -14.382 7.997 1.00 6.84 C -ATOM 4151 CG GLN B 251 102.280 -14.306 8.714 1.00 7.19 C -ATOM 4152 CD GLN B 251 102.145 -14.386 10.214 1.00 7.47 C -ATOM 4153 OE1 GLN B 251 101.096 -14.014 10.790 1.00 7.21 O -ATOM 4154 NE2 GLN B 251 103.176 -14.872 10.891 1.00 8.51 N -ATOM 4155 C GLN B 251 98.823 -15.720 7.791 1.00 6.57 C -ATOM 4156 O GLN B 251 98.033 -15.659 8.754 1.00 6.91 O -ATOM 4157 N ALA B 252 98.394 -15.727 6.533 1.00 6.88 N -ATOM 4158 CA ALA B 252 96.959 -15.815 6.227 1.00 6.89 C -ATOM 4159 CB ALA B 252 96.683 -15.774 4.745 1.00 7.22 C -ATOM 4160 C ALA B 252 96.404 -17.065 6.887 1.00 6.62 C -ATOM 4161 O ALA B 252 95.358 -17.004 7.564 1.00 6.72 O -ATOM 4162 N PHE B 253 97.097 -18.165 6.752 1.00 7.10 N -ATOM 4163 CA PHE B 253 96.659 -19.453 7.336 1.00 7.66 C -ATOM 4164 CB PHE B 253 97.660 -20.535 6.950 1.00 8.63 C -ATOM 4165 CG PHE B 253 97.394 -21.864 7.600 1.00 9.66 C -ATOM 4166 CD1 PHE B 253 96.557 -22.804 7.023 1.00 11.54 C -ATOM 4167 CE1 PHE B 253 96.285 -24.003 7.672 1.00 12.90 C -ATOM 4168 CZ PHE B 253 96.903 -24.293 8.869 1.00 13.11 C -ATOM 4169 CD2 PHE B 253 98.011 -22.172 8.812 1.00 11.23 C -ATOM 4170 CE2 PHE B 253 97.769 -23.388 9.444 1.00 13.35 C -ATOM 4171 C PHE B 253 96.566 -19.324 8.859 1.00 7.64 C -ATOM 4172 O PHE B 253 95.588 -19.767 9.443 1.00 7.87 O -ATOM 4173 N ALA B 254 97.554 -18.695 9.476 1.00 7.16 N -ATOM 4174 CA ALA B 254 97.567 -18.514 10.950 1.00 7.49 C -ATOM 4175 CB ALA B 254 98.840 -17.818 11.373 1.00 7.08 C -ATOM 4176 C ALA B 254 96.348 -17.700 11.402 1.00 7.28 C -ATOM 4177 O ALA B 254 95.831 -17.925 12.504 1.00 8.24 O -ATOM 4178 N TYR B 255 95.921 -16.728 10.618 1.00 7.39 N -ATOM 4179 CA TYR B 255 94.815 -15.818 10.958 1.00 6.59 C -ATOM 4180 CB TYR B 255 95.137 -14.430 10.408 1.00 6.71 C -ATOM 4181 CG TYR B 255 95.928 -13.600 11.385 1.00 6.38 C -ATOM 4182 CD1 TYR B 255 97.311 -13.715 11.533 1.00 6.58 C -ATOM 4183 CE1 TYR B 255 98.019 -12.992 12.467 1.00 6.72 C -ATOM 4184 CZ TYR B 255 97.355 -12.116 13.291 1.00 6.58 C -ATOM 4185 OH TYR B 255 98.003 -11.371 14.240 1.00 6.62 O -ATOM 4186 CE2 TYR B 255 95.984 -11.945 13.131 1.00 6.73 C -ATOM 4187 CD2 TYR B 255 95.296 -12.693 12.197 1.00 6.60 C -ATOM 4188 C TYR B 255 93.482 -16.335 10.411 1.00 6.42 C -ATOM 4189 O TYR B 255 92.493 -15.640 10.535 1.00 6.39 O -ATOM 4190 N SER B 256 93.439 -17.535 9.833 1.00 6.87 N -ATOM 4191 CA SER B 256 92.186 -18.050 9.205 1.00 6.63 C -ATOM 4192 CB SER B 256 91.136 -18.415 10.246 1.00 7.03 C -ATOM 4193 OG SER B 256 91.594 -19.471 11.054 1.00 7.78 O -ATOM 4194 C SER B 256 91.666 -17.015 8.208 1.00 6.50 C -ATOM 4195 O SER B 256 90.439 -16.881 8.044 1.00 6.76 O -ATOM 4196 N HIS B 257 92.561 -16.397 7.453 1.00 5.98 N -ATOM 4197 CA HIS B 257 92.156 -15.652 6.251 1.00 5.86 C -ATOM 4198 CB HIS B 257 93.040 -14.430 6.080 1.00 5.68 C -ATOM 4199 CG HIS B 257 92.922 -13.388 7.131 1.00 5.81 C -ATOM 4200 ND1 HIS B 257 93.582 -12.181 7.017 1.00 5.82 N -ATOM 4201 CE1 HIS B 257 93.376 -11.486 8.096 1.00 5.83 C -ATOM 4202 NE2 HIS B 257 92.583 -12.169 8.922 1.00 5.26 N -ATOM 4203 CD2 HIS B 257 92.302 -13.361 8.333 1.00 5.35 C -ATOM 4204 C HIS B 257 92.363 -16.554 5.041 1.00 5.94 C -ATOM 4205 O HIS B 257 93.343 -17.272 4.965 1.00 6.44 O -ATOM 4206 N ILE B 258 91.491 -16.433 4.047 1.00 5.63 N -ATOM 4207 CA ILE B 258 91.678 -17.223 2.803 1.00 5.64 C -ATOM 4208 CB ILE B 258 90.359 -17.394 2.040 1.00 6.40 C -ATOM 4209 CG1 ILE B 258 89.244 -17.906 2.963 1.00 6.40 C -ATOM 4210 CG2 ILE B 258 90.578 -18.270 0.803 1.00 6.91 C -ATOM 4211 CD1 ILE B 258 89.532 -19.221 3.646 1.00 7.35 C -ATOM 4212 C ILE B 258 92.752 -16.589 1.933 1.00 5.67 C -ATOM 4213 O ILE B 258 92.522 -15.497 1.342 1.00 5.90 O -ATOM 4214 N GLY B 259 93.898 -17.263 1.825 1.00 5.73 N -ATOM 4215 CA GLY B 259 95.022 -16.784 1.011 1.00 5.95 C -ATOM 4216 C GLY B 259 94.925 -17.264 -0.415 1.00 6.48 C -ATOM 4217 O GLY B 259 94.731 -18.463 -0.610 1.00 7.47 O -ATOM 4218 N ARG B 260 95.182 -16.393 -1.378 1.00 6.65 N -ATOM 4219 CA ARG B 260 95.295 -16.743 -2.794 1.00 6.89 C -ATOM 4220 CB ARG B 260 94.181 -16.063 -3.580 1.00 7.02 C -ATOM 4221 CG ARG B 260 94.211 -16.366 -5.067 1.00 7.72 C -ATOM 4222 CD ARG B 260 92.881 -16.084 -5.725 1.00 8.86 C -ATOM 4223 NE ARG B 260 92.886 -16.291 -7.159 1.00 10.64 N -ATOM 4224 CZ ARG B 260 93.389 -15.438 -8.047 1.00 12.09 C -ATOM 4225 NH1 ARG B 260 94.043 -14.362 -7.658 1.00 11.34 N -ATOM 4226 NH2 ARG B 260 93.291 -15.723 -9.335 1.00 13.09 N -ATOM 4227 C ARG B 260 96.647 -16.317 -3.288 1.00 6.38 C -ATOM 4228 O ARG B 260 97.106 -15.208 -2.977 1.00 7.04 O -ATOM 4229 N VAL B 261 97.308 -17.199 -4.038 1.00 6.21 N -ATOM 4230 CA VAL B 261 98.607 -16.889 -4.664 1.00 6.67 C -ATOM 4231 CB VAL B 261 99.739 -17.781 -4.127 1.00 6.85 C -ATOM 4232 CG1 VAL B 261 101.010 -17.613 -4.937 1.00 7.61 C -ATOM 4233 CG2 VAL B 261 99.968 -17.477 -2.652 1.00 7.27 C -ATOM 4234 C VAL B 261 98.434 -17.049 -6.161 1.00 6.94 C -ATOM 4235 O VAL B 261 98.057 -18.129 -6.632 1.00 7.44 O -ATOM 4236 N TRP B 262 98.783 -16.012 -6.889 1.00 6.99 N -ATOM 4237 CA TRP B 262 98.740 -16.006 -8.359 1.00 7.82 C -ATOM 4238 CB TRP B 262 97.784 -14.902 -8.838 1.00 8.78 C -ATOM 4239 CG TRP B 262 98.151 -13.523 -8.422 1.00 11.24 C -ATOM 4240 CD1 TRP B 262 97.762 -12.904 -7.281 1.00 12.13 C -ATOM 4241 NE1 TRP B 262 98.345 -11.663 -7.211 1.00 13.82 N -ATOM 4242 CE2 TRP B 262 99.081 -11.437 -8.344 1.00 15.59 C -ATOM 4243 CD2 TRP B 262 98.996 -12.608 -9.130 1.00 13.56 C -ATOM 4244 CE3 TRP B 262 99.640 -12.635 -10.374 1.00 16.10 C -ATOM 4245 CZ3 TRP B 262 100.360 -11.526 -10.783 1.00 17.51 C -ATOM 4246 CH2 TRP B 262 100.435 -10.380 -9.987 1.00 19.14 C -ATOM 4247 CZ2 TRP B 262 99.797 -10.313 -8.770 1.00 17.35 C -ATOM 4248 C TRP B 262 100.154 -15.828 -8.931 1.00 8.09 C -ATOM 4249 O TRP B 262 101.037 -15.267 -8.275 1.00 9.46 O -ATOM 4250 N GLY B 263 100.327 -16.305 -10.157 1.00 8.60 N -ATOM 4251 CA GLY B 263 101.555 -16.132 -10.945 1.00 9.21 C -ATOM 4252 C GLY B 263 102.606 -17.158 -10.587 1.00 9.55 C -ATOM 4253 O GLY B 263 103.763 -16.959 -11.013 1.00 11.73 O -ATOM 4254 N ASP B 264 102.282 -18.184 -9.800 1.00 8.79 N -ATOM 4255 CA ASP B 264 103.290 -19.176 -9.348 1.00 9.35 C -ATOM 4256 CB ASP B 264 103.264 -19.333 -7.829 1.00 9.53 C -ATOM 4257 CG ASP B 264 104.560 -19.892 -7.289 1.00 10.06 C -ATOM 4258 OD1 ASP B 264 105.601 -19.688 -7.935 1.00 11.55 O -ATOM 4259 OD2 ASP B 264 104.527 -20.500 -6.197 1.00 10.24 O -ATOM 4260 C ASP B 264 103.076 -20.517 -10.055 1.00 9.42 C -ATOM 4261 O ASP B 264 103.164 -21.575 -9.389 1.00 10.07 O -ATOM 4262 N ASP B 265 102.863 -20.491 -11.370 1.00 9.14 N -ATOM 4263 CA ASP B 265 102.374 -21.650 -12.155 1.00 9.81 C -ATOM 4264 CB ASP B 265 102.031 -21.221 -13.575 1.00 9.74 C -ATOM 4265 CG ASP B 265 100.863 -20.261 -13.572 1.00 8.73 C -ATOM 4266 OD1 ASP B 265 101.080 -19.109 -13.190 1.00 9.46 O -ATOM 4267 OD2 ASP B 265 99.742 -20.691 -13.926 1.00 8.92 O -ATOM 4268 C ASP B 265 103.372 -22.794 -12.188 1.00 10.61 C -ATOM 4269 O ASP B 265 102.934 -23.913 -12.485 1.00 12.05 O -ATOM 4270 N GLU B 266 104.651 -22.530 -11.997 1.00 9.99 N -ATOM 4271 CA GLU B 266 105.690 -23.574 -12.123 1.00 11.39 C -ATOM 4272 CB GLU B 266 107.057 -22.969 -12.379 1.00 12.41 C -ATOM 4273 CG GLU B 266 107.059 -22.161 -13.654 1.00 15.04 C -ATOM 4274 CD GLU B 266 108.397 -21.593 -14.046 1.00 18.63 C -ATOM 4275 OE1 GLU B 266 108.966 -20.832 -13.254 1.00 22.31 O -ATOM 4276 OE2 GLU B 266 108.856 -21.899 -15.169 1.00 19.85 O -ATOM 4277 C GLU B 266 105.760 -24.412 -10.864 1.00 11.19 C -ATOM 4278 O GLU B 266 106.478 -25.428 -10.889 1.00 12.83 O -ATOM 4279 N VAL B 267 105.073 -24.031 -9.782 1.00 10.19 N -ATOM 4280 CA VAL B 267 105.119 -24.756 -8.482 1.00 10.53 C -ATOM 4281 CB VAL B 267 105.278 -23.739 -7.346 1.00 10.23 C -ATOM 4282 CG1 VAL B 267 105.104 -24.391 -5.979 1.00 11.15 C -ATOM 4283 CG2 VAL B 267 106.654 -23.087 -7.462 1.00 11.25 C -ATOM 4284 C VAL B 267 103.870 -25.613 -8.405 1.00 10.75 C -ATOM 4285 O VAL B 267 102.785 -25.088 -8.727 1.00 13.49 O -ATOM 4286 N SER B 268 103.996 -26.900 -8.037 1.00 11.48 N -ATOM 4287 CA SER B 268 102.906 -27.898 -7.957 1.00 11.34 C -ATOM 4288 CB SER B 268 103.422 -29.292 -7.659 1.00 12.38 C -ATOM 4289 OG SER B 268 103.859 -29.341 -6.336 1.00 15.25 O -ATOM 4290 C SER B 268 101.852 -27.508 -6.914 1.00 10.30 C -ATOM 4291 O SER B 268 102.128 -26.815 -5.917 1.00 10.44 O -ATOM 4292 N PHE B 269 100.699 -28.099 -7.066 1.00 10.56 N -ATOM 4293 CA PHE B 269 99.622 -27.975 -6.063 1.00 11.53 C -ATOM 4294 CB PHE B 269 98.363 -28.645 -6.568 1.00 11.37 C -ATOM 4295 CG PHE B 269 97.170 -28.587 -5.647 1.00 10.74 C -ATOM 4296 CD1 PHE B 269 96.851 -27.467 -4.869 1.00 11.04 C -ATOM 4297 CE1 PHE B 269 95.689 -27.445 -4.104 1.00 10.67 C -ATOM 4298 CZ PHE B 269 94.866 -28.535 -4.057 1.00 10.68 C -ATOM 4299 CD2 PHE B 269 96.299 -29.653 -5.606 1.00 10.49 C -ATOM 4300 CE2 PHE B 269 95.171 -29.651 -4.787 1.00 11.10 C -ATOM 4301 C PHE B 269 100.127 -28.521 -4.727 1.00 10.80 C -ATOM 4302 O PHE B 269 99.914 -27.861 -3.665 1.00 11.09 O -ATOM 4303 N ALA B 270 100.835 -29.658 -4.736 1.00 11.03 N -ATOM 4304 CA ALA B 270 101.352 -30.265 -3.481 1.00 11.01 C -ATOM 4305 CB ALA B 270 102.021 -31.618 -3.712 1.00 11.93 C -ATOM 4306 C ALA B 270 102.290 -29.282 -2.787 1.00 10.78 C -ATOM 4307 O ALA B 270 102.201 -29.138 -1.559 1.00 11.84 O -ATOM 4308 N GLN B 271 103.155 -28.593 -3.515 1.00 10.08 N -ATOM 4309 CA GLN B 271 104.107 -27.670 -2.870 1.00 11.55 C -ATOM 4310 CB GLN B 271 105.195 -27.206 -3.823 1.00 12.70 C -ATOM 4311 CG GLN B 271 106.251 -26.322 -3.143 1.00 16.24 C -ATOM 4312 CD GLN B 271 106.858 -26.851 -1.856 1.00 21.49 C -ATOM 4313 OE1 GLN B 271 106.963 -28.053 -1.626 1.00 31.44 O -ATOM 4314 NE2 GLN B 271 107.281 -25.936 -0.995 1.00 25.71 N -ATOM 4315 C GLN B 271 103.316 -26.499 -2.277 1.00 10.25 C -ATOM 4316 O GLN B 271 103.608 -26.084 -1.145 1.00 12.06 O -ATOM 4317 N HIS B 272 102.353 -25.944 -3.027 1.00 10.05 N -ATOM 4318 CA HIS B 272 101.509 -24.834 -2.530 1.00 9.45 C -ATOM 4319 CB HIS B 272 100.565 -24.381 -3.618 1.00 9.00 C -ATOM 4320 CG HIS B 272 101.262 -23.538 -4.624 1.00 8.92 C -ATOM 4321 ND1 HIS B 272 100.993 -23.623 -5.975 1.00 9.31 N -ATOM 4322 CE1 HIS B 272 101.725 -22.742 -6.607 1.00 9.58 C -ATOM 4323 NE2 HIS B 272 102.518 -22.127 -5.739 1.00 9.90 N -ATOM 4324 CD2 HIS B 272 102.273 -22.676 -4.511 1.00 9.59 C -ATOM 4325 C HIS B 272 100.717 -25.215 -1.288 1.00 10.46 C -ATOM 4326 O HIS B 272 100.598 -24.377 -0.377 1.00 10.22 O -ATOM 4327 N ILE B 273 100.268 -26.455 -1.193 1.00 9.82 N -ATOM 4328 CA ILE B 273 99.605 -26.968 0.041 1.00 11.40 C -ATOM 4329 CB ILE B 273 99.114 -28.402 -0.183 1.00 12.12 C -ATOM 4330 CG1 ILE B 273 97.951 -28.389 -1.178 1.00 13.84 C -ATOM 4331 CG2 ILE B 273 98.747 -29.056 1.144 1.00 12.27 C -ATOM 4332 CD1 ILE B 273 97.583 -29.721 -1.736 1.00 14.31 C -ATOM 4333 C ILE B 273 100.576 -26.855 1.220 1.00 10.81 C -ATOM 4334 O ILE B 273 100.197 -26.402 2.306 1.00 11.13 O -ATOM 4335 N ASN B 274 101.817 -27.292 1.019 1.00 11.93 N -ATOM 4336 CA ASN B 274 102.838 -27.234 2.097 1.00 11.99 C -ATOM 4337 CB ASN B 274 104.122 -27.949 1.672 1.00 15.02 C -ATOM 4338 CG ASN B 274 103.928 -29.426 1.387 1.00 17.97 C -ATOM 4339 OD1 ASN B 274 103.045 -30.095 1.938 1.00 21.05 O -ATOM 4340 ND2 ASN B 274 104.800 -29.964 0.545 1.00 24.04 N -ATOM 4341 C ASN B 274 103.078 -25.785 2.517 1.00 12.92 C -ATOM 4342 O ASN B 274 103.341 -25.552 3.713 1.00 12.51 O -ATOM 4343 N GLN B 275 102.902 -24.847 1.576 1.00 11.19 N -ATOM 4344 CA GLN B 275 103.102 -23.399 1.782 1.00 11.09 C -ATOM 4345 CB GLN B 275 103.584 -22.803 0.475 1.00 11.15 C -ATOM 4346 CG GLN B 275 104.985 -23.309 0.151 1.00 11.74 C -ATOM 4347 CD GLN B 275 105.471 -23.001 -1.244 1.00 13.13 C -ATOM 4348 OE1 GLN B 275 104.709 -22.639 -2.145 1.00 12.79 O -ATOM 4349 NE2 GLN B 275 106.777 -23.179 -1.434 1.00 15.99 N -ATOM 4350 C GLN B 275 101.837 -22.741 2.336 1.00 10.33 C -ATOM 4351 O GLN B 275 101.831 -21.550 2.486 1.00 10.98 O -ATOM 4352 N LYS B 276 100.848 -23.534 2.660 1.00 9.60 N -ATOM 4353 CA LYS B 276 99.637 -23.099 3.410 1.00 9.51 C -ATOM 4354 CB LYS B 276 100.016 -22.504 4.769 1.00 11.52 C -ATOM 4355 CG LYS B 276 100.800 -23.472 5.640 1.00 14.46 C -ATOM 4356 CD LYS B 276 99.950 -24.616 6.109 1.00 17.53 C -ATOM 4357 CE LYS B 276 100.704 -25.625 6.954 1.00 20.09 C -ATOM 4358 NZ LYS B 276 99.846 -26.784 7.267 1.00 21.98 N -ATOM 4359 C LYS B 276 98.773 -22.133 2.596 1.00 7.88 C -ATOM 4360 O LYS B 276 98.167 -21.220 3.177 1.00 8.19 O -ATOM 4361 N ILE B 277 98.735 -22.365 1.288 1.00 8.13 N -ATOM 4362 CA ILE B 277 97.965 -21.523 0.337 1.00 7.44 C -ATOM 4363 CB ILE B 277 98.724 -21.377 -0.988 1.00 7.76 C -ATOM 4364 CG1 ILE B 277 100.036 -20.652 -0.755 1.00 7.91 C -ATOM 4365 CG2 ILE B 277 97.866 -20.610 -1.962 1.00 7.60 C -ATOM 4366 CD1 ILE B 277 101.070 -20.946 -1.823 1.00 8.00 C -ATOM 4367 C ILE B 277 96.578 -22.106 0.135 1.00 7.49 C -ATOM 4368 O ILE B 277 96.477 -23.234 -0.357 1.00 8.07 O -ATOM 4369 N ASN B 278 95.525 -21.350 0.460 1.00 6.94 N -ATOM 4370 CA ASN B 278 94.152 -21.866 0.224 1.00 7.00 C -ATOM 4371 CB ASN B 278 93.095 -20.999 0.877 1.00 6.41 C -ATOM 4372 CG ASN B 278 93.104 -21.131 2.383 1.00 6.22 C -ATOM 4373 OD1 ASN B 278 93.529 -20.211 3.087 1.00 6.51 O -ATOM 4374 ND2 ASN B 278 92.612 -22.261 2.886 1.00 6.54 N -ATOM 4375 C ASN B 278 93.826 -21.941 -1.265 1.00 6.57 C -ATOM 4376 O ASN B 278 93.245 -22.925 -1.690 1.00 7.72 O -ATOM 4377 N LEU B 279 94.142 -20.911 -2.018 1.00 6.86 N -ATOM 4378 CA LEU B 279 93.726 -20.807 -3.439 1.00 6.59 C -ATOM 4379 CB LEU B 279 92.719 -19.666 -3.631 1.00 6.31 C -ATOM 4380 CG LEU B 279 91.516 -19.674 -2.697 1.00 6.70 C -ATOM 4381 CD1 LEU B 279 90.681 -18.430 -2.943 1.00 6.53 C -ATOM 4382 CD2 LEU B 279 90.668 -20.927 -2.787 1.00 6.97 C -ATOM 4383 C LEU B 279 94.961 -20.586 -4.314 1.00 6.89 C -ATOM 4384 O LEU B 279 95.554 -19.507 -4.239 1.00 7.11 O -ATOM 4385 N SER B 280 95.380 -21.601 -5.040 1.00 6.88 N -ATOM 4386 CA SER B 280 96.589 -21.535 -5.885 1.00 7.06 C -ATOM 4387 CB SER B 280 97.436 -22.793 -5.811 1.00 7.48 C -ATOM 4388 OG SER B 280 98.003 -22.962 -4.512 1.00 8.68 O -ATOM 4389 C SER B 280 96.108 -21.306 -7.308 1.00 7.44 C -ATOM 4390 O SER B 280 95.528 -22.212 -7.883 1.00 7.26 O -ATOM 4391 N ALA B 281 96.335 -20.124 -7.854 1.00 7.53 N -ATOM 4392 CA ALA B 281 95.746 -19.764 -9.161 1.00 7.33 C -ATOM 4393 CB ALA B 281 95.466 -18.275 -9.224 1.00 7.19 C -ATOM 4394 C ALA B 281 96.687 -20.178 -10.298 1.00 7.17 C -ATOM 4395 O ALA B 281 97.866 -19.822 -10.309 1.00 7.94 O -ATOM 4396 N TYR B 282 96.176 -20.927 -11.236 1.00 6.92 N -ATOM 4397 CA TYR B 282 96.923 -21.392 -12.416 1.00 6.89 C -ATOM 4398 CB TYR B 282 97.083 -22.889 -12.394 1.00 7.81 C -ATOM 4399 CG TYR B 282 97.891 -23.432 -11.259 1.00 8.17 C -ATOM 4400 CD1 TYR B 282 97.339 -23.732 -10.042 1.00 8.19 C -ATOM 4401 CE1 TYR B 282 98.090 -24.330 -9.035 1.00 8.61 C -ATOM 4402 CZ TYR B 282 99.438 -24.560 -9.209 1.00 8.67 C -ATOM 4403 OH TYR B 282 100.132 -25.123 -8.159 1.00 9.93 O -ATOM 4404 CE2 TYR B 282 100.022 -24.237 -10.420 1.00 8.41 C -ATOM 4405 CD2 TYR B 282 99.247 -23.680 -11.439 1.00 8.14 C -ATOM 4406 C TYR B 282 96.190 -21.038 -13.697 1.00 7.34 C -ATOM 4407 O TYR B 282 94.978 -21.242 -13.805 1.00 7.49 O -ATOM 4408 N TYR B 283 96.942 -20.545 -14.661 1.00 7.31 N -ATOM 4409 CA TYR B 283 96.379 -20.449 -16.028 1.00 8.08 C -ATOM 4410 CB TYR B 283 97.418 -19.953 -17.017 1.00 9.06 C -ATOM 4411 CG TYR B 283 97.856 -18.538 -16.789 1.00 9.63 C -ATOM 4412 CD1 TYR B 283 96.983 -17.473 -16.887 1.00 11.64 C -ATOM 4413 CE1 TYR B 283 97.425 -16.162 -16.766 1.00 12.91 C -ATOM 4414 CZ TYR B 283 98.765 -15.914 -16.541 1.00 13.43 C -ATOM 4415 OH TYR B 283 99.285 -14.659 -16.379 1.00 16.24 O -ATOM 4416 CE2 TYR B 283 99.641 -16.963 -16.362 1.00 12.71 C -ATOM 4417 CD2 TYR B 283 99.179 -18.260 -16.517 1.00 11.28 C -ATOM 4418 C TYR B 283 95.842 -21.797 -16.508 1.00 7.67 C -ATOM 4419 O TYR B 283 94.720 -21.884 -17.024 1.00 7.74 O -ATOM 4420 N ARG B 284 96.628 -22.847 -16.373 1.00 7.57 N -ATOM 4421 CA ARG B 284 96.286 -24.214 -16.808 1.00 8.15 C -ATOM 4422 CB ARG B 284 97.472 -24.838 -17.528 1.00 8.68 C -ATOM 4423 CG ARG B 284 97.887 -24.049 -18.764 1.00 9.11 C -ATOM 4424 CD ARG B 284 96.800 -23.838 -19.781 1.00 9.68 C -ATOM 4425 NE ARG B 284 97.281 -23.038 -20.894 1.00 8.89 N -ATOM 4426 CZ ARG B 284 96.531 -22.693 -21.903 1.00 8.75 C -ATOM 4427 NH1 ARG B 284 95.252 -22.983 -21.899 1.00 10.36 N -ATOM 4428 NH2 ARG B 284 97.021 -21.907 -22.826 1.00 9.67 N -ATOM 4429 C ARG B 284 95.888 -25.012 -15.569 1.00 7.79 C -ATOM 4430 O ARG B 284 96.574 -25.914 -15.112 1.00 9.19 O -ATOM 4431 N PHE B 285 94.715 -24.715 -15.047 1.00 8.05 N -ATOM 4432 CA PHE B 285 94.219 -25.269 -13.775 1.00 8.40 C -ATOM 4433 CB PHE B 285 92.975 -24.517 -13.303 1.00 8.30 C -ATOM 4434 CG PHE B 285 91.980 -24.316 -14.407 1.00 8.22 C -ATOM 4435 CD1 PHE B 285 91.060 -25.305 -14.667 1.00 8.28 C -ATOM 4436 CE1 PHE B 285 90.164 -25.158 -15.700 1.00 9.30 C -ATOM 4437 CZ PHE B 285 90.208 -24.052 -16.514 1.00 9.38 C -ATOM 4438 CD2 PHE B 285 91.967 -23.166 -15.184 1.00 8.03 C -ATOM 4439 CE2 PHE B 285 91.104 -23.056 -16.263 1.00 9.19 C -ATOM 4440 C PHE B 285 93.977 -26.767 -13.919 1.00 8.48 C -ATOM 4441 O PHE B 285 94.210 -27.504 -12.958 1.00 8.52 O -ATOM 4442 N ALA B 286 93.495 -27.234 -15.064 1.00 8.24 N -ATOM 4443 CA ALA B 286 93.108 -28.654 -15.211 1.00 8.95 C -ATOM 4444 CB ALA B 286 92.457 -28.929 -16.515 1.00 9.59 C -ATOM 4445 C ALA B 286 94.353 -29.541 -15.087 1.00 9.58 C -ATOM 4446 O ALA B 286 94.209 -30.708 -14.728 1.00 11.51 O -ATOM 4447 N ALA B 287 95.521 -29.013 -15.408 1.00 8.86 N -ATOM 4448 CA ALA B 287 96.783 -29.798 -15.390 1.00 10.52 C -ATOM 4449 CB ALA B 287 97.781 -29.105 -16.276 1.00 11.42 C -ATOM 4450 C ALA B 287 97.329 -30.008 -13.980 1.00 10.11 C -ATOM 4451 O ALA B 287 98.315 -30.772 -13.848 1.00 11.96 O -ATOM 4452 N GLN B 288 96.743 -29.372 -12.972 1.00 9.33 N -ATOM 4453 CA GLN B 288 97.237 -29.462 -11.591 1.00 9.82 C -ATOM 4454 CB GLN B 288 97.133 -28.094 -10.917 1.00 9.67 C -ATOM 4455 CG GLN B 288 97.631 -26.935 -11.754 1.00 11.28 C -ATOM 4456 CD GLN B 288 98.994 -27.080 -12.354 1.00 12.47 C -ATOM 4457 OE1 GLN B 288 99.936 -27.508 -11.693 1.00 13.36 O -ATOM 4458 NE2 GLN B 288 99.135 -26.604 -13.581 1.00 14.69 N -ATOM 4459 C GLN B 288 96.400 -30.476 -10.820 1.00 10.22 C -ATOM 4460 O GLN B 288 95.161 -30.586 -11.001 1.00 11.79 O -ATOM 4461 N SER B 289 97.077 -31.166 -9.912 1.00 12.21 N -ATOM 4462 CA SER B 289 96.410 -32.124 -9.013 1.00 13.35 C -ATOM 4463 CB SER B 289 95.800 -33.300 -9.732 1.00 13.91 C -ATOM 4464 OG SER B 289 96.795 -34.144 -10.281 1.00 17.36 O -ATOM 4465 C SER B 289 97.434 -32.590 -7.989 1.00 14.19 C -ATOM 4466 O SER B 289 98.645 -32.414 -8.201 1.00 13.73 O -ATOM 4467 N ALA B 290 96.940 -33.108 -6.880 1.00 16.06 N -ATOM 4468 CA ALA B 290 97.742 -33.833 -5.871 1.00 18.33 C -ATOM 4469 CB ALA B 290 98.121 -32.886 -4.763 1.00 19.19 C -ATOM 4470 C ALA B 290 96.903 -35.019 -5.393 1.00 19.03 C -ATOM 4471 O ALA B 290 95.837 -34.782 -4.841 1.00 19.39 O -ATOM 4472 N GLY B 291 97.355 -36.259 -5.650 1.00 21.72 N -ATOM 4473 CA GLY B 291 96.604 -37.479 -5.289 1.00 20.60 C -ATOM 4474 C GLY B 291 95.315 -37.623 -6.072 1.00 20.04 C -ATOM 4475 O GLY B 291 94.349 -38.229 -5.553 1.00 21.52 O -ATOM 4476 N GLY B 292 95.270 -37.042 -7.275 1.00 18.01 N -ATOM 4477 CA GLY B 292 94.112 -37.122 -8.171 1.00 17.09 C -ATOM 4478 C GLY B 292 93.141 -35.995 -7.881 1.00 14.38 C -ATOM 4479 O GLY B 292 92.158 -35.942 -8.560 1.00 16.24 O -ATOM 4480 N TYR B 293 93.427 -35.151 -6.900 1.00 14.32 N -ATOM 4481 CA TYR B 293 92.447 -34.144 -6.442 1.00 12.38 C -ATOM 4482 CB TYR B 293 92.124 -34.381 -4.966 1.00 12.68 C -ATOM 4483 CG TYR B 293 91.453 -35.700 -4.616 1.00 12.42 C -ATOM 4484 CD1 TYR B 293 90.258 -36.094 -5.203 1.00 13.74 C -ATOM 4485 CE1 TYR B 293 89.626 -37.287 -4.861 1.00 14.63 C -ATOM 4486 CZ TYR B 293 90.179 -38.093 -3.877 1.00 14.12 C -ATOM 4487 OH TYR B 293 89.554 -39.284 -3.530 1.00 15.27 O -ATOM 4488 CE2 TYR B 293 91.368 -37.717 -3.268 1.00 13.59 C -ATOM 4489 CD2 TYR B 293 92.005 -36.537 -3.648 1.00 14.97 C -ATOM 4490 C TYR B 293 92.948 -32.718 -6.696 1.00 11.21 C -ATOM 4491 O TYR B 293 94.152 -32.429 -6.630 1.00 11.36 O -ATOM 4492 N ARG B 294 91.962 -31.844 -6.905 1.00 9.67 N -ATOM 4493 CA ARG B 294 92.217 -30.383 -7.008 1.00 9.40 C -ATOM 4494 CB ARG B 294 91.631 -29.824 -8.303 1.00 9.39 C -ATOM 4495 CG ARG B 294 92.225 -30.445 -9.554 1.00 10.69 C -ATOM 4496 CD ARG B 294 92.106 -29.557 -10.775 1.00 10.35 C -ATOM 4497 NE ARG B 294 92.320 -30.306 -12.011 1.00 11.77 N -ATOM 4498 CZ ARG B 294 91.433 -31.079 -12.600 1.00 11.78 C -ATOM 4499 NH1 ARG B 294 90.197 -31.160 -12.158 1.00 12.87 N -ATOM 4500 NH2 ARG B 294 91.821 -31.791 -13.648 1.00 11.80 N -ATOM 4501 C ARG B 294 91.655 -29.632 -5.794 1.00 9.22 C -ATOM 4502 O ARG B 294 91.844 -28.372 -5.713 1.00 8.43 O -ATOM 4503 N ILE B 295 90.931 -30.307 -4.899 1.00 8.87 N -ATOM 4504 CA ILE B 295 90.425 -29.697 -3.652 1.00 8.30 C -ATOM 4505 CB ILE B 295 88.929 -29.351 -3.775 1.00 8.29 C -ATOM 4506 CG1 ILE B 295 88.697 -28.294 -4.867 1.00 7.72 C -ATOM 4507 CG2 ILE B 295 88.421 -28.903 -2.432 1.00 8.58 C -ATOM 4508 CD1 ILE B 295 87.282 -27.793 -4.946 1.00 8.31 C -ATOM 4509 C ILE B 295 90.701 -30.720 -2.550 1.00 9.19 C -ATOM 4510 O ILE B 295 90.241 -31.891 -2.681 1.00 9.86 O -ATOM 4511 N ARG B 296 91.380 -30.325 -1.499 1.00 8.73 N -ATOM 4512 CA ARG B 296 91.665 -31.295 -0.401 1.00 9.36 C -ATOM 4513 CB ARG B 296 92.839 -32.209 -0.742 1.00 11.02 C -ATOM 4514 CG ARG B 296 94.034 -31.490 -1.346 1.00 13.26 C -ATOM 4515 CD ARG B 296 95.231 -32.399 -1.410 1.00 16.11 C -ATOM 4516 NE ARG B 296 95.805 -32.366 -0.082 1.00 17.80 N -ATOM 4517 CZ ARG B 296 96.985 -32.880 0.260 1.00 20.05 C -ATOM 4518 NH1 ARG B 296 97.694 -33.591 -0.610 1.00 22.23 N -ATOM 4519 NH2 ARG B 296 97.419 -32.710 1.499 1.00 21.89 N -ATOM 4520 C ARG B 296 91.986 -30.522 0.853 1.00 9.79 C -ATOM 4521 O ARG B 296 92.492 -29.392 0.793 1.00 9.43 O -ATOM 4522 N PRO B 297 91.804 -31.140 2.031 1.00 9.95 N -ATOM 4523 CA PRO B 297 92.327 -30.538 3.242 1.00 10.18 C -ATOM 4524 CB PRO B 297 92.002 -31.552 4.345 1.00 10.53 C -ATOM 4525 CG PRO B 297 90.835 -32.286 3.769 1.00 11.00 C -ATOM 4526 CD PRO B 297 91.155 -32.436 2.293 1.00 9.70 C -ATOM 4527 C PRO B 297 93.845 -30.390 3.174 1.00 11.13 C -ATOM 4528 O PRO B 297 94.475 -31.195 2.534 1.00 11.98 O -ATOM 4529 N PHE B 298 94.414 -29.377 3.812 1.00 11.23 N -ATOM 4530 CA PHE B 298 95.877 -29.257 3.958 1.00 13.20 C -ATOM 4531 CB PHE B 298 96.195 -28.101 4.899 1.00 12.16 C -ATOM 4532 CG PHE B 298 95.978 -26.740 4.296 1.00 10.38 C -ATOM 4533 CD1 PHE B 298 96.794 -26.317 3.264 1.00 11.18 C -ATOM 4534 CE1 PHE B 298 96.605 -25.076 2.675 1.00 10.20 C -ATOM 4535 CZ PHE B 298 95.634 -24.243 3.166 1.00 10.19 C -ATOM 4536 CD2 PHE B 298 94.995 -25.913 4.766 1.00 10.59 C -ATOM 4537 CE2 PHE B 298 94.847 -24.652 4.217 1.00 10.68 C -ATOM 4538 C PHE B 298 96.513 -30.571 4.447 1.00 16.54 C -ATOM 4539 O PHE B 298 97.540 -30.971 3.905 1.00 21.02 O -ATOM 4540 OXT PHE B 298 96.032 -31.250 5.332 1.00 18.08 O -TER 4541 PHE B 298 -ATOM 4542 N ALA C 1 65.355 -35.894 1.588 1.00 23.01 N -ATOM 4543 CA ALA C 1 64.325 -34.816 1.642 1.00 20.71 C -ATOM 4544 CB ALA C 1 64.655 -33.709 0.657 1.00 23.45 C -ATOM 4545 C ALA C 1 62.934 -35.424 1.388 1.00 20.70 C -ATOM 4546 O ALA C 1 62.726 -36.074 0.358 1.00 23.93 O -ATOM 4547 N GLN C 2 62.014 -35.222 2.321 1.00 19.49 N -ATOM 4548 CA GLN C 2 60.581 -35.565 2.190 1.00 17.84 C -ATOM 4549 CB GLN C 2 59.874 -34.968 3.388 1.00 18.91 C -ATOM 4550 CG GLN C 2 58.529 -35.575 3.686 1.00 19.19 C -ATOM 4551 CD GLN C 2 58.030 -34.917 4.943 1.00 20.63 C -ATOM 4552 OE1 GLN C 2 57.479 -33.825 4.903 1.00 22.00 O -ATOM 4553 NE2 GLN C 2 58.296 -35.543 6.077 1.00 20.81 N -ATOM 4554 C GLN C 2 60.017 -34.980 0.893 1.00 16.43 C -ATOM 4555 O GLN C 2 60.122 -33.758 0.703 1.00 17.28 O -ATOM 4556 N GLU C 3 59.320 -35.778 0.083 1.00 14.49 N -ATOM 4557 CA GLU C 3 58.752 -35.302 -1.205 1.00 13.93 C -ATOM 4558 CB GLU C 3 58.363 -36.475 -2.109 1.00 12.86 C -ATOM 4559 CG GLU C 3 57.073 -37.163 -1.700 1.00 12.43 C -ATOM 4560 CD GLU C 3 56.451 -38.048 -2.785 1.00 10.76 C -ATOM 4561 OE1 GLU C 3 56.661 -37.777 -4.005 1.00 13.38 O -ATOM 4562 OE2 GLU C 3 55.814 -38.970 -2.460 1.00 11.58 O -ATOM 4563 C GLU C 3 57.551 -34.389 -0.911 1.00 14.38 C -ATOM 4564 O GLU C 3 56.999 -34.412 0.198 1.00 13.88 O -ATOM 4565 N SER C 4 57.162 -33.564 -1.878 1.00 15.91 N -ATOM 4566 CA SER C 4 56.048 -32.597 -1.678 1.00 17.03 C -ATOM 4567 CB SER C 4 56.548 -31.293 -1.082 1.00 18.94 C -ATOM 4568 OG SER C 4 57.566 -30.749 -1.897 1.00 20.28 O -ATOM 4569 C SER C 4 55.280 -32.368 -2.966 1.00 16.23 C -ATOM 4570 O SER C 4 54.940 -31.237 -3.255 1.00 15.94 O -ATOM 4571 N PRO C 5 54.825 -33.409 -3.697 1.00 13.10 N -ATOM 4572 CA PRO C 5 53.893 -33.185 -4.792 1.00 13.11 C -ATOM 4573 CB PRO C 5 53.677 -34.573 -5.402 1.00 13.76 C -ATOM 4574 CG PRO C 5 53.847 -35.464 -4.176 1.00 13.12 C -ATOM 4575 CD PRO C 5 54.950 -34.834 -3.355 1.00 13.10 C -ATOM 4576 C PRO C 5 52.589 -32.615 -4.230 1.00 11.78 C -ATOM 4577 O PRO C 5 52.237 -32.888 -3.060 1.00 11.49 O -ATOM 4578 N ALA C 6 51.896 -31.834 -5.040 1.00 12.07 N -ATOM 4579 CA ALA C 6 50.756 -31.029 -4.572 1.00 11.78 C -ATOM 4580 CB ALA C 6 50.227 -30.160 -5.688 1.00 12.07 C -ATOM 4581 C ALA C 6 49.653 -31.938 -4.026 1.00 10.87 C -ATOM 4582 O ALA C 6 48.903 -31.479 -3.178 1.00 11.07 O -ATOM 4583 N PHE C 7 49.514 -33.161 -4.523 1.00 10.73 N -ATOM 4584 CA PHE C 7 48.336 -33.972 -4.145 1.00 9.57 C -ATOM 4585 CB PHE C 7 48.092 -35.102 -5.140 1.00 9.75 C -ATOM 4586 CG PHE C 7 49.104 -36.227 -5.181 1.00 8.97 C -ATOM 4587 CD1 PHE C 7 49.023 -37.268 -4.258 1.00 8.50 C -ATOM 4588 CE1 PHE C 7 49.935 -38.304 -4.309 1.00 9.10 C -ATOM 4589 CZ PHE C 7 50.899 -38.348 -5.286 1.00 9.13 C -ATOM 4590 CD2 PHE C 7 50.120 -36.272 -6.141 1.00 9.87 C -ATOM 4591 CE2 PHE C 7 51.000 -37.334 -6.197 1.00 10.42 C -ATOM 4592 C PHE C 7 48.466 -34.496 -2.712 1.00 8.90 C -ATOM 4593 O PHE C 7 47.481 -35.070 -2.226 1.00 9.62 O -ATOM 4594 N ILE C 8 49.609 -34.412 -2.050 1.00 8.48 N -ATOM 4595 CA ILE C 8 49.738 -34.916 -0.657 1.00 8.97 C -ATOM 4596 CB ILE C 8 51.124 -35.525 -0.429 1.00 8.66 C -ATOM 4597 CG1 ILE C 8 51.320 -36.672 -1.419 1.00 9.05 C -ATOM 4598 CG2 ILE C 8 51.258 -35.976 1.035 1.00 9.64 C -ATOM 4599 CD1 ILE C 8 52.600 -37.419 -1.272 1.00 9.65 C -ATOM 4600 C ILE C 8 49.480 -33.778 0.331 1.00 9.39 C -ATOM 4601 O ILE C 8 50.204 -32.767 0.345 1.00 11.05 O -ATOM 4602 N ASP C 9 48.492 -33.948 1.182 1.00 9.60 N -ATOM 4603 CA ASP C 9 48.214 -32.993 2.264 1.00 10.62 C -ATOM 4604 CB ASP C 9 46.929 -33.436 2.958 1.00 11.49 C -ATOM 4605 CG ASP C 9 46.458 -32.575 4.097 1.00 13.44 C -ATOM 4606 OD1 ASP C 9 47.280 -31.824 4.648 1.00 12.15 O -ATOM 4607 OD2 ASP C 9 45.224 -32.681 4.375 1.00 15.20 O -ATOM 4608 C ASP C 9 49.427 -33.034 3.167 1.00 11.02 C -ATOM 4609 O ASP C 9 49.760 -34.089 3.719 1.00 10.48 O -ATOM 4610 N PRO C 10 50.117 -31.919 3.426 1.00 11.30 N -ATOM 4611 CA PRO C 10 51.293 -31.986 4.273 1.00 11.34 C -ATOM 4612 CB PRO C 10 51.794 -30.529 4.306 1.00 13.02 C -ATOM 4613 CG PRO C 10 51.265 -29.953 3.008 1.00 14.53 C -ATOM 4614 CD PRO C 10 49.881 -30.566 2.882 1.00 12.58 C -ATOM 4615 C PRO C 10 51.047 -32.505 5.697 1.00 13.37 C -ATOM 4616 O PRO C 10 51.987 -32.953 6.324 1.00 13.25 O -ATOM 4617 N ALA C 11 49.811 -32.413 6.203 1.00 12.58 N -ATOM 4618 CA ALA C 11 49.479 -32.943 7.552 1.00 13.99 C -ATOM 4619 CB ALA C 11 48.092 -32.534 7.965 1.00 14.70 C -ATOM 4620 C ALA C 11 49.611 -34.470 7.548 1.00 14.04 C -ATOM 4621 O ALA C 11 49.592 -35.052 8.626 1.00 18.15 O -ATOM 4622 N SER C 12 49.679 -35.114 6.388 1.00 12.65 N -ATOM 4623 CA SER C 12 49.803 -36.589 6.234 1.00 12.50 C -ATOM 4624 CB SER C 12 49.774 -36.982 4.771 1.00 13.04 C -ATOM 4625 OG SER C 12 48.558 -36.620 4.142 1.00 13.68 O -ATOM 4626 C SER C 12 51.111 -37.102 6.838 1.00 12.05 C -ATOM 4627 O SER C 12 51.158 -38.257 7.369 1.00 12.50 O -ATOM 4628 N TRP C 13 52.173 -36.306 6.866 1.00 12.61 N -ATOM 4629 CA TRP C 13 53.529 -36.881 7.022 1.00 12.00 C -ATOM 4630 CB TRP C 13 54.585 -35.833 6.634 1.00 12.17 C -ATOM 4631 CG TRP C 13 54.696 -35.707 5.149 1.00 13.16 C -ATOM 4632 CD1 TRP C 13 54.205 -34.728 4.334 1.00 13.77 C -ATOM 4633 NE1 TRP C 13 54.454 -35.026 3.026 1.00 13.55 N -ATOM 4634 CE2 TRP C 13 55.102 -36.232 2.949 1.00 13.15 C -ATOM 4635 CD2 TRP C 13 55.236 -36.710 4.277 1.00 12.32 C -ATOM 4636 CE3 TRP C 13 55.857 -37.950 4.476 1.00 11.42 C -ATOM 4637 CZ3 TRP C 13 56.357 -38.648 3.395 1.00 12.21 C -ATOM 4638 CH2 TRP C 13 56.198 -38.158 2.100 1.00 12.24 C -ATOM 4639 CZ2 TRP C 13 55.598 -36.936 1.848 1.00 12.72 C -ATOM 4640 C TRP C 13 53.716 -37.427 8.430 1.00 11.52 C -ATOM 4641 O TRP C 13 54.365 -38.473 8.577 1.00 12.11 O -ATOM 4642 N ASN C 14 53.163 -36.741 9.424 1.00 11.47 N -ATOM 4643 CA ASN C 14 53.311 -37.141 10.832 1.00 12.02 C -ATOM 4644 CB ASN C 14 53.546 -35.927 11.710 1.00 13.64 C -ATOM 4645 CG ASN C 14 54.917 -35.337 11.462 1.00 16.40 C -ATOM 4646 OD1 ASN C 14 55.883 -36.053 11.209 1.00 17.04 O -ATOM 4647 ND2 ASN C 14 55.032 -34.034 11.603 1.00 17.61 N -ATOM 4648 C ASN C 14 52.124 -37.979 11.305 1.00 10.12 C -ATOM 4649 O ASN C 14 52.005 -38.193 12.491 1.00 11.61 O -ATOM 4650 N THR C 15 51.353 -38.522 10.370 1.00 9.34 N -ATOM 4651 CA THR C 15 50.190 -39.357 10.724 1.00 8.39 C -ATOM 4652 CB THR C 15 49.012 -39.020 9.830 1.00 8.91 C -ATOM 4653 OG1 THR C 15 48.697 -37.619 9.867 1.00 10.38 O -ATOM 4654 CG2 THR C 15 47.779 -39.797 10.195 1.00 8.83 C -ATOM 4655 C THR C 15 50.568 -40.816 10.544 1.00 8.45 C -ATOM 4656 O THR C 15 51.150 -41.179 9.529 1.00 8.55 O -ATOM 4657 N PRO C 16 50.243 -41.675 11.530 1.00 7.84 N -ATOM 4658 CA PRO C 16 50.385 -43.124 11.351 1.00 7.76 C -ATOM 4659 CB PRO C 16 49.673 -43.693 12.575 1.00 7.84 C -ATOM 4660 CG PRO C 16 49.907 -42.613 13.611 1.00 8.97 C -ATOM 4661 CD PRO C 16 49.693 -41.326 12.852 1.00 9.81 C -ATOM 4662 C PRO C 16 49.754 -43.533 10.018 1.00 7.43 C -ATOM 4663 O PRO C 16 48.706 -43.009 9.664 1.00 7.05 O -ATOM 4664 N PHE C 17 50.352 -44.496 9.327 1.00 6.46 N -ATOM 4665 CA PHE C 17 49.887 -44.865 7.993 1.00 6.48 C -ATOM 4666 CB PHE C 17 50.740 -46.015 7.483 1.00 6.59 C -ATOM 4667 CG PHE C 17 50.443 -46.367 6.054 1.00 6.95 C -ATOM 4668 CD1 PHE C 17 50.849 -45.531 5.019 1.00 6.69 C -ATOM 4669 CE1 PHE C 17 50.605 -45.899 3.699 1.00 7.78 C -ATOM 4670 CZ PHE C 17 50.002 -47.111 3.400 1.00 7.40 C -ATOM 4671 CD2 PHE C 17 49.883 -47.589 5.738 1.00 7.05 C -ATOM 4672 CE2 PHE C 17 49.637 -47.952 4.425 1.00 7.56 C -ATOM 4673 C PHE C 17 48.408 -45.294 8.044 1.00 6.21 C -ATOM 4674 O PHE C 17 47.668 -44.992 7.054 1.00 6.92 O -ATOM 4675 N ASN C 18 47.967 -45.967 9.123 1.00 5.95 N -ATOM 4676 CA ASN C 18 46.564 -46.416 9.294 1.00 6.37 C -ATOM 4677 CB ASN C 18 46.452 -47.439 10.419 1.00 7.52 C -ATOM 4678 CG ASN C 18 46.990 -46.894 11.713 1.00 7.15 C -ATOM 4679 OD1 ASN C 18 48.171 -46.545 11.831 1.00 7.50 O -ATOM 4680 ND2 ASN C 18 46.125 -46.811 12.699 1.00 9.23 N -ATOM 4681 C ASN C 18 45.602 -45.238 9.473 1.00 6.30 C -ATOM 4682 O ASN C 18 44.371 -45.427 9.334 1.00 7.04 O -ATOM 4683 N GLY C 19 46.123 -44.055 9.758 1.00 6.50 N -ATOM 4684 CA GLY C 19 45.283 -42.858 9.922 1.00 6.83 C -ATOM 4685 C GLY C 19 45.178 -42.054 8.646 1.00 6.92 C -ATOM 4686 O GLY C 19 44.698 -40.915 8.735 1.00 7.40 O -ATOM 4687 N ILE C 20 45.717 -42.541 7.539 1.00 6.49 N -ATOM 4688 CA ILE C 20 45.790 -41.763 6.282 1.00 7.03 C -ATOM 4689 CB ILE C 20 47.229 -41.753 5.726 1.00 7.53 C -ATOM 4690 CG1 ILE C 20 48.193 -41.109 6.723 1.00 7.75 C -ATOM 4691 CG2 ILE C 20 47.267 -41.067 4.368 1.00 7.97 C -ATOM 4692 CD1 ILE C 20 49.641 -41.160 6.302 1.00 7.73 C -ATOM 4693 C ILE C 20 44.800 -42.360 5.293 1.00 6.67 C -ATOM 4694 O ILE C 20 44.787 -43.576 5.084 1.00 6.95 O -ATOM 4695 N ALA C 21 44.029 -41.505 4.629 1.00 7.08 N -ATOM 4696 CA ALA C 21 43.154 -41.833 3.502 1.00 7.11 C -ATOM 4697 CB ALA C 21 41.873 -41.068 3.638 1.00 7.30 C -ATOM 4698 C ALA C 21 43.836 -41.493 2.180 1.00 6.30 C -ATOM 4699 O ALA C 21 44.459 -40.422 2.075 1.00 7.55 O -ATOM 4700 N GLN C 22 43.624 -42.353 1.202 1.00 6.20 N -ATOM 4701 CA GLN C 22 44.255 -42.196 -0.099 1.00 6.74 C -ATOM 4702 CB GLN C 22 45.390 -43.198 -0.325 1.00 6.92 C -ATOM 4703 CG GLN C 22 46.511 -43.133 0.714 1.00 7.92 C -ATOM 4704 CD GLN C 22 47.704 -43.963 0.298 1.00 7.29 C -ATOM 4705 OE1 GLN C 22 48.108 -44.003 -0.864 1.00 8.52 O -ATOM 4706 NE2 GLN C 22 48.233 -44.711 1.252 1.00 7.81 N -ATOM 4707 C GLN C 22 43.248 -42.507 -1.195 1.00 6.94 C -ATOM 4708 O GLN C 22 42.471 -43.466 -1.079 1.00 7.00 O -ATOM 4709 N VAL C 23 43.412 -41.829 -2.317 1.00 7.20 N -ATOM 4710 CA VAL C 23 42.907 -42.284 -3.617 1.00 7.29 C -ATOM 4711 CB VAL C 23 42.836 -41.083 -4.591 1.00 7.63 C -ATOM 4712 CG1 VAL C 23 42.385 -41.540 -5.975 1.00 8.47 C -ATOM 4713 CG2 VAL C 23 41.936 -39.984 -4.050 1.00 7.99 C -ATOM 4714 C VAL C 23 43.880 -43.332 -4.119 1.00 7.08 C -ATOM 4715 O VAL C 23 45.113 -43.067 -4.176 1.00 8.15 O -ATOM 4716 N ALA C 24 43.353 -44.476 -4.481 1.00 7.14 N -ATOM 4717 CA ALA C 24 44.119 -45.568 -5.079 1.00 7.08 C -ATOM 4718 CB ALA C 24 43.903 -46.807 -4.255 1.00 6.76 C -ATOM 4719 C ALA C 24 43.638 -45.778 -6.494 1.00 7.64 C -ATOM 4720 O ALA C 24 42.497 -45.425 -6.822 1.00 8.55 O -ATOM 4721 N CYS C 25 44.465 -46.346 -7.351 1.00 8.29 N -ATOM 4722 CA CYS C 25 43.955 -46.774 -8.665 1.00 8.90 C -ATOM 4723 CB CYS C 25 45.075 -46.941 -9.670 1.00 9.61 C -ATOM 4724 SG CYS C 25 45.799 -48.593 -9.703 1.00 10.89 S -ATOM 4725 C CYS C 25 43.123 -48.040 -8.562 1.00 9.13 C -ATOM 4726 O CYS C 25 43.191 -48.751 -7.533 1.00 12.44 O -ATOM 4727 N HIS C 26 42.380 -48.323 -9.603 1.00 8.53 N -ATOM 4728 CA HIS C 26 41.772 -49.633 -9.800 1.00 8.26 C -ATOM 4729 CB HIS C 26 40.248 -49.518 -9.758 1.00 8.08 C -ATOM 4730 CG HIS C 26 39.544 -50.828 -9.745 1.00 9.56 C -ATOM 4731 ND1 HIS C 26 38.183 -50.932 -9.478 1.00 10.21 N -ATOM 4732 CE1 HIS C 26 37.844 -52.201 -9.510 1.00 11.87 C -ATOM 4733 NE2 HIS C 26 38.937 -52.943 -9.742 1.00 13.05 N -ATOM 4734 CD2 HIS C 26 40.004 -52.091 -9.858 1.00 11.75 C -ATOM 4735 C HIS C 26 42.271 -50.164 -11.134 1.00 7.89 C -ATOM 4736 O HIS C 26 41.909 -49.584 -12.179 1.00 8.77 O -ATOM 4737 N ASN C 27 43.103 -51.203 -11.116 1.00 7.73 N -ATOM 4738 CA ASN C 27 43.543 -51.869 -12.368 1.00 8.48 C -ATOM 4739 CB ASN C 27 42.369 -52.504 -13.090 1.00 10.01 C -ATOM 4740 CG ASN C 27 41.920 -53.812 -12.461 1.00 11.47 C -ATOM 4741 OD1 ASN C 27 42.369 -54.234 -11.388 1.00 11.84 O -ATOM 4742 ND2 ASN C 27 41.143 -54.552 -13.234 1.00 18.19 N -ATOM 4743 C ASN C 27 44.268 -50.877 -13.272 1.00 7.88 C -ATOM 4744 O ASN C 27 44.164 -50.963 -14.495 1.00 8.36 O -ATOM 4745 N CYS C 28 45.111 -50.045 -12.700 1.00 8.64 N -ATOM 4746 CA CYS C 28 45.795 -48.978 -13.473 1.00 8.67 C -ATOM 4747 CB CYS C 28 46.258 -47.798 -12.643 1.00 9.18 C -ATOM 4748 SG CYS C 28 47.297 -48.288 -11.263 1.00 12.24 S -ATOM 4749 C CYS C 28 46.943 -49.525 -14.348 1.00 9.18 C -ATOM 4750 O CYS C 28 47.576 -48.731 -15.045 1.00 10.52 O -ATOM 4751 N TYR C 29 47.203 -50.810 -14.324 1.00 8.86 N -ATOM 4752 CA TYR C 29 48.094 -51.475 -15.304 1.00 8.94 C -ATOM 4753 CB TYR C 29 48.469 -52.876 -14.809 1.00 9.33 C -ATOM 4754 CG TYR C 29 47.305 -53.804 -14.824 1.00 8.55 C -ATOM 4755 CD1 TYR C 29 46.954 -54.531 -15.957 1.00 8.81 C -ATOM 4756 CE1 TYR C 29 45.821 -55.300 -15.990 1.00 9.51 C -ATOM 4757 CZ TYR C 29 45.067 -55.453 -14.857 1.00 9.37 C -ATOM 4758 OH TYR C 29 43.948 -56.211 -15.005 1.00 9.78 O -ATOM 4759 CE2 TYR C 29 45.409 -54.748 -13.711 1.00 8.40 C -ATOM 4760 CD2 TYR C 29 46.539 -53.961 -13.687 1.00 8.47 C -ATOM 4761 C TYR C 29 47.422 -51.567 -16.682 1.00 9.02 C -ATOM 4762 O TYR C 29 48.123 -51.909 -17.664 1.00 9.60 O -ATOM 4763 N GLU C 30 46.114 -51.390 -16.757 1.00 9.51 N -ATOM 4764 CA GLU C 30 45.406 -51.460 -18.065 1.00 10.29 C -ATOM 4765 CB GLU C 30 43.908 -51.713 -17.923 1.00 11.27 C -ATOM 4766 CG GLU C 30 43.551 -53.037 -17.298 1.00 11.07 C -ATOM 4767 CD GLU C 30 42.050 -53.310 -17.351 1.00 11.42 C -ATOM 4768 OE1 GLU C 30 41.523 -53.337 -18.440 1.00 13.40 O -ATOM 4769 OE2 GLU C 30 41.403 -53.444 -16.309 1.00 13.00 O -ATOM 4770 C GLU C 30 45.637 -50.180 -18.861 1.00 10.13 C -ATOM 4771 O GLU C 30 45.601 -49.092 -18.364 1.00 9.92 O -ATOM 4772 N LYS C 31 45.969 -50.357 -20.149 1.00 10.94 N -ATOM 4773 CA LYS C 31 46.213 -49.225 -21.084 1.00 12.27 C -ATOM 4774 CB LYS C 31 46.493 -49.775 -22.484 1.00 13.64 C -ATOM 4775 CG LYS C 31 47.738 -50.634 -22.610 1.00 16.42 C -ATOM 4776 CD LYS C 31 47.990 -51.024 -24.028 1.00 18.84 C -ATOM 4777 CE LYS C 31 48.775 -52.304 -24.147 1.00 22.25 C -ATOM 4778 NZ LYS C 31 49.422 -52.375 -25.479 1.00 24.21 N -ATOM 4779 C LYS C 31 45.026 -48.255 -21.120 1.00 12.07 C -ATOM 4780 O LYS C 31 45.260 -47.050 -21.259 1.00 13.19 O -ATOM 4781 N GLN C 32 43.811 -48.716 -20.902 1.00 11.53 N -ATOM 4782 CA GLN C 32 42.650 -47.784 -20.959 1.00 13.46 C -ATOM 4783 CB GLN C 32 41.318 -48.518 -20.980 1.00 13.34 C -ATOM 4784 CG GLN C 32 41.074 -49.391 -19.757 1.00 13.73 C -ATOM 4785 CD GLN C 32 39.695 -49.999 -19.721 1.00 14.52 C -ATOM 4786 OE1 GLN C 32 38.711 -49.322 -20.040 1.00 15.31 O -ATOM 4787 NE2 GLN C 32 39.591 -51.255 -19.335 1.00 15.37 N -ATOM 4788 C GLN C 32 42.688 -46.787 -19.789 1.00 12.13 C -ATOM 4789 O GLN C 32 41.915 -45.786 -19.832 1.00 14.24 O -ATOM 4790 N TYR C 33 43.446 -47.065 -18.715 1.00 11.39 N -ATOM 4791 CA TYR C 33 43.379 -46.208 -17.504 1.00 10.88 C -ATOM 4792 CB TYR C 33 43.127 -47.018 -16.231 1.00 11.09 C -ATOM 4793 CG TYR C 33 41.849 -47.810 -16.251 1.00 10.74 C -ATOM 4794 CD1 TYR C 33 40.605 -47.265 -16.595 1.00 11.34 C -ATOM 4795 CE1 TYR C 33 39.475 -48.062 -16.636 1.00 12.35 C -ATOM 4796 CZ TYR C 33 39.549 -49.410 -16.307 1.00 12.39 C -ATOM 4797 OH TYR C 33 38.434 -50.204 -16.334 1.00 15.87 O -ATOM 4798 CE2 TYR C 33 40.768 -49.951 -15.944 1.00 12.04 C -ATOM 4799 CD2 TYR C 33 41.890 -49.160 -15.934 1.00 11.50 C -ATOM 4800 C TYR C 33 44.616 -45.324 -17.363 1.00 10.78 C -ATOM 4801 O TYR C 33 44.611 -44.366 -16.594 1.00 11.88 O -ATOM 4802 N ALA C 34 45.717 -45.667 -18.031 1.00 11.05 N -ATOM 4803 CA ALA C 34 46.950 -44.863 -17.977 1.00 11.46 C -ATOM 4804 CB ALA C 34 47.674 -45.049 -16.657 1.00 11.32 C -ATOM 4805 C ALA C 34 47.839 -45.233 -19.157 1.00 11.52 C -ATOM 4806 O ALA C 34 47.871 -46.406 -19.571 1.00 11.58 O -ATOM 4807 N ASN C 35 48.595 -44.258 -19.628 1.00 13.05 N -ATOM 4808 CA ASN C 35 49.473 -44.473 -20.805 1.00 14.52 C -ATOM 4809 CB ASN C 35 49.938 -43.151 -21.420 1.00 18.37 C -ATOM 4810 CG ASN C 35 48.771 -42.315 -21.921 1.00 21.81 C -ATOM 4811 OD1 ASN C 35 47.677 -42.839 -22.128 1.00 26.24 O -ATOM 4812 ND2 ASN C 35 48.971 -41.020 -22.113 1.00 27.83 N -ATOM 4813 C ASN C 35 50.635 -45.380 -20.404 1.00 12.79 C -ATOM 4814 O ASN C 35 51.042 -46.189 -21.242 1.00 13.88 O -ATOM 4815 N THR C 36 51.176 -45.202 -19.205 1.00 11.89 N -ATOM 4816 CA THR C 36 52.277 -46.039 -18.674 1.00 11.41 C -ATOM 4817 CB THR C 36 53.665 -45.397 -18.762 1.00 12.07 C -ATOM 4818 OG1 THR C 36 53.656 -44.239 -17.922 1.00 13.25 O -ATOM 4819 CG2 THR C 36 54.076 -45.107 -20.195 1.00 13.22 C -ATOM 4820 C THR C 36 51.950 -46.338 -17.215 1.00 10.98 C -ATOM 4821 O THR C 36 51.307 -45.470 -16.518 1.00 9.99 O -ATOM 4822 N PHE C 37 52.420 -47.467 -16.712 1.00 10.40 N -ATOM 4823 CA PHE C 37 52.209 -47.806 -15.294 1.00 9.41 C -ATOM 4824 CB PHE C 37 52.740 -49.218 -15.056 1.00 8.96 C -ATOM 4825 CG PHE C 37 52.280 -49.833 -13.748 1.00 8.93 C -ATOM 4826 CD1 PHE C 37 50.951 -49.858 -13.376 1.00 9.87 C -ATOM 4827 CE1 PHE C 37 50.555 -50.483 -12.205 1.00 9.19 C -ATOM 4828 CZ PHE C 37 51.487 -51.023 -11.356 1.00 9.97 C -ATOM 4829 CD2 PHE C 37 53.209 -50.417 -12.891 1.00 10.58 C -ATOM 4830 CE2 PHE C 37 52.811 -50.971 -11.683 1.00 9.76 C -ATOM 4831 C PHE C 37 52.906 -46.767 -14.431 1.00 10.00 C -ATOM 4832 O PHE C 37 52.356 -46.290 -13.419 1.00 9.97 O -ATOM 4833 N SER C 38 54.112 -46.389 -14.813 1.00 9.95 N -ATOM 4834 CA SER C 38 54.896 -45.433 -13.989 1.00 12.08 C -ATOM 4835 CB SER C 38 56.302 -45.307 -14.509 1.00 13.50 C -ATOM 4836 OG SER C 38 56.322 -44.672 -15.751 1.00 21.76 O -ATOM 4837 C SER C 38 54.192 -44.069 -13.885 1.00 10.84 C -ATOM 4838 O SER C 38 54.294 -43.421 -12.832 1.00 11.10 O -ATOM 4839 N SER C 39 53.484 -43.641 -14.929 1.00 10.88 N -ATOM 4840 CA SER C 39 52.784 -42.329 -14.922 1.00 10.57 C -ATOM 4841 CB SER C 39 52.137 -41.988 -16.223 1.00 10.97 C -ATOM 4842 OG SER C 39 51.023 -42.806 -16.485 1.00 11.10 O -ATOM 4843 C SER C 39 51.746 -42.269 -13.800 1.00 9.84 C -ATOM 4844 O SER C 39 51.378 -41.204 -13.406 1.00 10.84 O -ATOM 4845 N VAL C 40 51.216 -43.393 -13.343 1.00 9.79 N -ATOM 4846 CA VAL C 40 50.177 -43.387 -12.273 1.00 9.72 C -ATOM 4847 CB VAL C 40 49.707 -44.825 -12.018 1.00 10.12 C -ATOM 4848 CG1 VAL C 40 48.720 -44.882 -10.868 1.00 10.84 C -ATOM 4849 CG2 VAL C 40 49.133 -45.468 -13.262 1.00 9.85 C -ATOM 4850 C VAL C 40 50.766 -42.723 -11.032 1.00 9.34 C -ATOM 4851 O VAL C 40 50.011 -42.037 -10.312 1.00 8.83 O -ATOM 4852 N LEU C 41 52.065 -42.894 -10.782 1.00 8.84 N -ATOM 4853 CA LEU C 41 52.713 -42.292 -9.604 1.00 8.94 C -ATOM 4854 CB LEU C 41 54.049 -42.996 -9.419 1.00 9.04 C -ATOM 4855 CG LEU C 41 53.875 -44.438 -8.955 1.00 8.69 C -ATOM 4856 CD1 LEU C 41 55.128 -45.240 -9.287 1.00 9.02 C -ATOM 4857 CD2 LEU C 41 53.588 -44.474 -7.456 1.00 9.73 C -ATOM 4858 C LEU C 41 52.852 -40.765 -9.745 1.00 8.66 C -ATOM 4859 O LEU C 41 53.220 -40.097 -8.802 1.00 9.60 O -ATOM 4860 N ASP C 42 52.436 -40.188 -10.873 1.00 9.07 N -ATOM 4861 CA ASP C 42 52.310 -38.713 -10.900 1.00 10.17 C -ATOM 4862 CB ASP C 42 52.154 -38.206 -12.333 1.00 11.05 C -ATOM 4863 CG ASP C 42 53.346 -38.432 -13.232 1.00 12.11 C -ATOM 4864 OD1 ASP C 42 54.423 -38.766 -12.736 1.00 12.52 O -ATOM 4865 OD2 ASP C 42 53.191 -38.220 -14.444 1.00 14.99 O -ATOM 4866 C ASP C 42 51.076 -38.272 -10.090 1.00 9.46 C -ATOM 4867 O ASP C 42 50.984 -37.102 -9.737 1.00 10.89 O -ATOM 4868 N SER C 43 50.143 -39.170 -9.825 1.00 9.50 N -ATOM 4869 CA SER C 43 48.826 -38.821 -9.243 1.00 9.06 C -ATOM 4870 CB SER C 43 47.755 -39.267 -10.179 1.00 8.85 C -ATOM 4871 OG SER C 43 47.785 -38.534 -11.397 1.00 11.45 O -ATOM 4872 C SER C 43 48.559 -39.462 -7.867 1.00 8.44 C -ATOM 4873 O SER C 43 47.846 -38.834 -7.089 1.00 7.77 O -ATOM 4874 N VAL C 44 48.980 -40.709 -7.660 1.00 7.79 N -ATOM 4875 CA VAL C 44 48.636 -41.458 -6.427 1.00 7.41 C -ATOM 4876 CB VAL C 44 47.435 -42.374 -6.676 1.00 8.15 C -ATOM 4877 CG1 VAL C 44 46.157 -41.617 -6.999 1.00 7.73 C -ATOM 4878 CG2 VAL C 44 47.709 -43.402 -7.757 1.00 8.54 C -ATOM 4879 C VAL C 44 49.852 -42.247 -5.965 1.00 6.96 C -ATOM 4880 O VAL C 44 50.892 -42.324 -6.681 1.00 7.59 O -ATOM 4881 N ARG C 45 49.717 -42.848 -4.794 1.00 6.65 N -ATOM 4882 CA ARG C 45 50.792 -43.699 -4.237 1.00 6.93 C -ATOM 4883 CB ARG C 45 51.330 -43.093 -2.936 1.00 7.00 C -ATOM 4884 CG ARG C 45 52.045 -41.767 -3.102 1.00 7.03 C -ATOM 4885 CD ARG C 45 53.482 -41.966 -3.561 1.00 7.32 C -ATOM 4886 NE ARG C 45 54.174 -40.752 -4.018 1.00 7.88 N -ATOM 4887 CZ ARG C 45 54.056 -40.236 -5.237 1.00 8.06 C -ATOM 4888 NH1 ARG C 45 53.316 -40.836 -6.138 1.00 8.21 N -ATOM 4889 NH2 ARG C 45 54.694 -39.108 -5.544 1.00 8.83 N -ATOM 4890 C ARG C 45 50.314 -45.132 -4.007 1.00 6.77 C -ATOM 4891 O ARG C 45 51.045 -45.884 -3.340 1.00 7.08 O -ATOM 4892 N THR C 46 49.139 -45.486 -4.499 1.00 7.20 N -ATOM 4893 CA THR C 46 48.607 -46.854 -4.326 1.00 7.55 C -ATOM 4894 CB THR C 46 47.514 -46.935 -3.249 1.00 7.92 C -ATOM 4895 OG1 THR C 46 48.089 -46.559 -2.014 1.00 8.13 O -ATOM 4896 CG2 THR C 46 46.924 -48.323 -3.154 1.00 8.28 C -ATOM 4897 C THR C 46 48.170 -47.340 -5.698 1.00 7.76 C -ATOM 4898 O THR C 46 47.301 -46.714 -6.326 1.00 7.71 O -ATOM 4899 N LEU C 47 48.776 -48.418 -6.170 1.00 7.36 N -ATOM 4900 CA LEU C 47 48.676 -48.971 -7.542 1.00 9.14 C -ATOM 4901 CB LEU C 47 50.066 -48.926 -8.205 1.00 11.31 C -ATOM 4902 CG LEU C 47 50.460 -47.646 -8.957 1.00 14.67 C -ATOM 4903 CD1 LEU C 47 50.439 -46.408 -8.112 1.00 15.98 C -ATOM 4904 CD2 LEU C 47 51.840 -47.816 -9.578 1.00 14.67 C -ATOM 4905 C LEU C 47 48.170 -50.414 -7.478 1.00 8.75 C -ATOM 4906 O LEU C 47 47.991 -50.948 -6.344 1.00 11.53 O -ATOM 4907 N GLU C 48 47.969 -51.071 -8.606 1.00 7.88 N -ATOM 4908 CA GLU C 48 47.386 -52.426 -8.661 1.00 8.34 C -ATOM 4909 CB GLU C 48 45.842 -52.346 -8.711 1.00 8.99 C -ATOM 4910 CG GLU C 48 45.188 -53.720 -8.752 1.00 9.01 C -ATOM 4911 CD GLU C 48 43.681 -53.695 -8.490 1.00 8.90 C -ATOM 4912 OE1 GLU C 48 43.104 -52.597 -8.664 1.00 9.47 O -ATOM 4913 OE2 GLU C 48 43.085 -54.770 -8.230 1.00 9.94 O -ATOM 4914 C GLU C 48 47.914 -53.147 -9.889 1.00 8.17 C -ATOM 4915 O GLU C 48 47.978 -52.482 -10.987 1.00 8.94 O -ATOM 4916 N LEU C 49 48.229 -54.434 -9.731 1.00 7.86 N -ATOM 4917 CA LEU C 49 48.607 -55.368 -10.812 1.00 8.24 C -ATOM 4918 CB LEU C 49 50.087 -55.729 -10.705 1.00 8.20 C -ATOM 4919 CG LEU C 49 51.035 -54.575 -11.017 1.00 8.44 C -ATOM 4920 CD1 LEU C 49 52.401 -54.856 -10.455 1.00 9.05 C -ATOM 4921 CD2 LEU C 49 51.132 -54.294 -12.516 1.00 7.87 C -ATOM 4922 C LEU C 49 47.763 -56.615 -10.664 1.00 7.70 C -ATOM 4923 O LEU C 49 47.710 -57.215 -9.544 1.00 8.76 O -ATOM 4924 N ASP C 50 47.180 -57.089 -11.760 1.00 8.39 N -ATOM 4925 CA ASP C 50 46.491 -58.398 -11.814 1.00 8.33 C -ATOM 4926 CB ASP C 50 45.228 -58.311 -12.674 1.00 8.63 C -ATOM 4927 CG ASP C 50 44.090 -57.501 -12.047 1.00 9.80 C -ATOM 4928 OD1 ASP C 50 44.165 -57.100 -10.882 1.00 11.82 O -ATOM 4929 OD2 ASP C 50 43.084 -57.265 -12.770 1.00 10.88 O -ATOM 4930 C ASP C 50 47.465 -59.380 -12.444 1.00 8.64 C -ATOM 4931 O ASP C 50 48.014 -59.093 -13.537 1.00 9.19 O -ATOM 4932 N PHE C 51 47.714 -60.511 -11.806 1.00 7.43 N -ATOM 4933 CA PHE C 51 48.795 -61.392 -12.306 1.00 7.90 C -ATOM 4934 CB PHE C 51 50.072 -61.241 -11.486 1.00 8.02 C -ATOM 4935 CG PHE C 51 50.064 -61.753 -10.061 1.00 7.86 C -ATOM 4936 CD1 PHE C 51 49.522 -61.025 -8.977 1.00 8.09 C -ATOM 4937 CE1 PHE C 51 49.527 -61.543 -7.677 1.00 8.72 C -ATOM 4938 CZ PHE C 51 50.149 -62.730 -7.426 1.00 8.28 C -ATOM 4939 CD2 PHE C 51 50.638 -62.975 -9.785 1.00 7.89 C -ATOM 4940 CE2 PHE C 51 50.705 -63.442 -8.489 1.00 8.30 C -ATOM 4941 C PHE C 51 48.334 -62.830 -12.380 1.00 8.00 C -ATOM 4942 O PHE C 51 47.570 -63.343 -11.552 1.00 7.79 O -ATOM 4943 N TRP C 52 48.752 -63.468 -13.482 1.00 7.73 N -ATOM 4944 CA TRP C 52 48.326 -64.807 -13.946 1.00 9.14 C -ATOM 4945 CB TRP C 52 47.709 -64.707 -15.351 1.00 9.36 C -ATOM 4946 CG TRP C 52 46.422 -63.925 -15.367 1.00 9.67 C -ATOM 4947 CD1 TRP C 52 46.270 -62.574 -15.330 1.00 9.87 C -ATOM 4948 NE1 TRP C 52 44.945 -62.239 -15.356 1.00 10.14 N -ATOM 4949 CE2 TRP C 52 44.200 -63.371 -15.344 1.00 9.88 C -ATOM 4950 CD2 TRP C 52 45.089 -64.462 -15.345 1.00 10.15 C -ATOM 4951 CE3 TRP C 52 44.553 -65.742 -15.351 1.00 10.38 C -ATOM 4952 CZ3 TRP C 52 43.194 -65.914 -15.340 1.00 11.31 C -ATOM 4953 CH2 TRP C 52 42.336 -64.817 -15.290 1.00 11.19 C -ATOM 4954 CZ2 TRP C 52 42.813 -63.531 -15.296 1.00 10.42 C -ATOM 4955 C TRP C 52 49.546 -65.740 -13.979 1.00 8.19 C -ATOM 4956 O TRP C 52 50.622 -65.322 -14.379 1.00 8.38 O -ATOM 4957 N ASP C 53 49.334 -66.996 -13.627 1.00 8.11 N -ATOM 4958 CA ASP C 53 50.362 -68.047 -13.786 1.00 8.39 C -ATOM 4959 CB ASP C 53 49.981 -69.266 -12.963 1.00 8.55 C -ATOM 4960 CG ASP C 53 50.250 -69.051 -11.474 1.00 7.89 C -ATOM 4961 OD1 ASP C 53 49.722 -68.064 -10.893 1.00 8.33 O -ATOM 4962 OD2 ASP C 53 50.986 -69.863 -10.923 1.00 8.68 O -ATOM 4963 C ASP C 53 50.496 -68.469 -15.250 1.00 8.46 C -ATOM 4964 O ASP C 53 51.606 -68.714 -15.717 1.00 8.65 O -ATOM 4965 N GLN C 54 49.377 -68.630 -15.931 1.00 8.21 N -ATOM 4966 CA GLN C 54 49.369 -69.205 -17.294 1.00 9.00 C -ATOM 4967 CB GLN C 54 48.255 -70.234 -17.460 1.00 9.76 C -ATOM 4968 CG GLN C 54 48.365 -71.331 -16.419 1.00 10.26 C -ATOM 4969 CD GLN C 54 49.612 -72.164 -16.563 1.00 10.15 C -ATOM 4970 OE1 GLN C 54 50.198 -72.269 -17.641 1.00 11.06 O -ATOM 4971 NE2 GLN C 54 50.064 -72.728 -15.458 1.00 11.47 N -ATOM 4972 C GLN C 54 49.255 -68.111 -18.337 1.00 9.53 C -ATOM 4973 O GLN C 54 48.825 -66.969 -18.046 1.00 9.27 O -ATOM 4974 N ARG C 55 49.595 -68.466 -19.579 1.00 9.74 N -ATOM 4975 CA ARG C 55 49.579 -67.520 -20.711 1.00 10.42 C -ATOM 4976 CB ARG C 55 50.402 -68.105 -21.850 1.00 10.67 C -ATOM 4977 CG ARG C 55 50.648 -67.164 -23.008 1.00 12.53 C -ATOM 4978 CD ARG C 55 51.459 -67.853 -24.093 1.00 13.86 C -ATOM 4979 NE ARG C 55 51.584 -67.127 -25.340 1.00 17.82 N -ATOM 4980 CZ ARG C 55 52.373 -67.473 -26.364 1.00 19.73 C -ATOM 4981 NH1 ARG C 55 53.154 -68.529 -26.253 1.00 19.68 N -ATOM 4982 NH2 ARG C 55 52.395 -66.723 -27.466 1.00 20.12 N -ATOM 4983 C ARG C 55 48.134 -67.300 -21.171 1.00 10.25 C -ATOM 4984 O ARG C 55 47.788 -66.179 -21.575 1.00 10.05 O -ATOM 4985 N ASP C 56 47.298 -68.325 -21.078 1.00 10.63 N -ATOM 4986 CA ASP C 56 45.816 -68.166 -21.126 1.00 10.90 C -ATOM 4987 CB ASP C 56 45.246 -68.871 -22.375 1.00 10.60 C -ATOM 4988 CG ASP C 56 45.447 -70.381 -22.438 1.00 10.58 C -ATOM 4989 OD1 ASP C 56 46.084 -70.994 -21.529 1.00 10.82 O -ATOM 4990 OD2 ASP C 56 44.887 -70.978 -23.377 1.00 11.56 O -ATOM 4991 C ASP C 56 45.333 -68.695 -19.783 1.00 10.88 C -ATOM 4992 O ASP C 56 46.090 -68.558 -18.804 1.00 11.04 O -ATOM 4993 N ALA C 57 44.168 -69.313 -19.704 1.00 10.82 N -ATOM 4994 CA ALA C 57 43.679 -69.807 -18.414 1.00 12.59 C -ATOM 4995 CB ALA C 57 42.192 -70.038 -18.451 1.00 13.66 C -ATOM 4996 C ALA C 57 44.403 -71.100 -18.074 1.00 11.20 C -ATOM 4997 O ALA C 57 44.309 -71.507 -16.909 1.00 12.93 O -ATOM 4998 N VAL C 58 45.023 -71.763 -19.058 1.00 10.70 N -ATOM 4999 CA VAL C 58 45.311 -73.215 -18.908 1.00 10.28 C -ATOM 5000 CB VAL C 58 44.488 -74.035 -19.934 1.00 11.18 C -ATOM 5001 CG1 VAL C 58 44.920 -75.501 -20.012 1.00 12.22 C -ATOM 5002 CG2 VAL C 58 42.988 -73.970 -19.641 1.00 12.66 C -ATOM 5003 C VAL C 58 46.812 -73.526 -19.035 1.00 9.53 C -ATOM 5004 O VAL C 58 47.308 -74.363 -18.241 1.00 10.86 O -ATOM 5005 N SER C 59 47.536 -72.967 -19.992 1.00 9.70 N -ATOM 5006 CA SER C 59 48.900 -73.450 -20.283 1.00 9.72 C -ATOM 5007 CB SER C 59 48.923 -74.377 -21.503 1.00 10.50 C -ATOM 5008 OG SER C 59 48.640 -73.714 -22.719 1.00 11.55 O -ATOM 5009 C SER C 59 49.842 -72.277 -20.492 1.00 8.85 C -ATOM 5010 O SER C 59 49.381 -71.150 -20.699 1.00 9.09 O -ATOM 5011 N GLY C 60 51.145 -72.559 -20.525 1.00 8.45 N -ATOM 5012 CA GLY C 60 52.146 -71.599 -20.997 1.00 9.62 C -ATOM 5013 C GLY C 60 52.872 -70.922 -19.859 1.00 9.09 C -ATOM 5014 O GLY C 60 53.699 -70.071 -20.133 1.00 10.70 O -ATOM 5015 N GLY C 61 52.597 -71.261 -18.608 1.00 9.52 N -ATOM 5016 CA GLY C 61 53.367 -70.711 -17.485 1.00 9.55 C -ATOM 5017 C GLY C 61 54.826 -71.139 -17.518 1.00 10.31 C -ATOM 5018 O GLY C 61 55.188 -72.158 -18.171 1.00 11.41 O -ATOM 5019 N SER C 62 55.691 -70.416 -16.823 1.00 9.43 N -ATOM 5020 CA SER C 62 57.123 -70.779 -16.686 1.00 10.01 C -ATOM 5021 CB SER C 62 58.003 -70.021 -17.631 1.00 10.97 C -ATOM 5022 OG SER C 62 57.735 -68.650 -17.552 1.00 11.58 O -ATOM 5023 C SER C 62 57.531 -70.538 -15.250 1.00 8.73 C -ATOM 5024 O SER C 62 56.912 -69.760 -14.501 1.00 8.17 O -ATOM 5025 N PRO C 63 58.616 -71.146 -14.772 1.00 9.06 N -ATOM 5026 CA PRO C 63 59.053 -70.959 -13.390 1.00 8.98 C -ATOM 5027 CB PRO C 63 60.237 -71.935 -13.248 1.00 10.97 C -ATOM 5028 CG PRO C 63 59.999 -72.977 -14.300 1.00 12.74 C -ATOM 5029 CD PRO C 63 59.371 -72.220 -15.451 1.00 10.95 C -ATOM 5030 C PRO C 63 59.439 -69.505 -13.139 1.00 8.61 C -ATOM 5031 O PRO C 63 59.986 -68.869 -14.012 1.00 8.89 O -ATOM 5032 N HIS C 64 59.151 -69.012 -11.940 1.00 8.61 N -ATOM 5033 CA HIS C 64 59.696 -67.727 -11.464 1.00 9.21 C -ATOM 5034 CB HIS C 64 61.232 -67.810 -11.398 1.00 10.07 C -ATOM 5035 CG HIS C 64 61.706 -68.976 -10.610 1.00 11.77 C -ATOM 5036 ND1 HIS C 64 61.471 -69.053 -9.251 1.00 15.12 N -ATOM 5037 CE1 HIS C 64 61.943 -70.187 -8.778 1.00 18.34 C -ATOM 5038 NE2 HIS C 64 62.436 -70.873 -9.780 1.00 15.01 N -ATOM 5039 CD2 HIS C 64 62.345 -70.122 -10.943 1.00 15.27 C -ATOM 5040 C HIS C 64 59.191 -66.581 -12.333 1.00 9.58 C -ATOM 5041 O HIS C 64 59.907 -65.602 -12.502 1.00 12.35 O -ATOM 5042 N HIS C 65 57.996 -66.686 -12.879 1.00 8.22 N -ATOM 5043 CA HIS C 65 57.412 -65.732 -13.841 1.00 8.31 C -ATOM 5044 CB HIS C 65 57.750 -66.263 -15.244 1.00 9.71 C -ATOM 5045 CG HIS C 65 57.060 -65.548 -16.355 1.00 10.36 C -ATOM 5046 ND1 HIS C 65 55.780 -65.904 -16.799 1.00 11.21 N -ATOM 5047 CE1 HIS C 65 55.457 -65.068 -17.766 1.00 10.95 C -ATOM 5048 NE2 HIS C 65 56.478 -64.209 -17.966 1.00 12.22 N -ATOM 5049 CD2 HIS C 65 57.483 -64.505 -17.096 1.00 12.47 C -ATOM 5050 C HIS C 65 55.908 -65.742 -13.690 1.00 7.74 C -ATOM 5051 O HIS C 65 55.330 -66.803 -13.459 1.00 7.92 O -ATOM 5052 N TRP C 66 55.342 -64.568 -13.818 1.00 7.81 N -ATOM 5053 CA TRP C 66 53.880 -64.391 -13.939 1.00 7.55 C -ATOM 5054 CB TRP C 66 53.227 -63.989 -12.602 1.00 7.91 C -ATOM 5055 CG TRP C 66 53.208 -65.021 -11.522 1.00 7.89 C -ATOM 5056 CD1 TRP C 66 52.146 -65.811 -11.214 1.00 7.41 C -ATOM 5057 NE1 TRP C 66 52.430 -66.630 -10.151 1.00 7.84 N -ATOM 5058 CE2 TRP C 66 53.706 -66.349 -9.746 1.00 7.70 C -ATOM 5059 CD2 TRP C 66 54.234 -65.358 -10.583 1.00 7.85 C -ATOM 5060 CE3 TRP C 66 55.530 -64.910 -10.373 1.00 7.39 C -ATOM 5061 CZ3 TRP C 66 56.272 -65.507 -9.371 1.00 8.54 C -ATOM 5062 CH2 TRP C 66 55.722 -66.491 -8.543 1.00 8.11 C -ATOM 5063 CZ2 TRP C 66 54.440 -66.920 -8.719 1.00 8.09 C -ATOM 5064 C TRP C 66 53.604 -63.340 -15.013 1.00 7.24 C -ATOM 5065 O TRP C 66 54.412 -62.458 -15.251 1.00 8.42 O -ATOM 5066 N PHE C 67 52.445 -63.480 -15.620 1.00 7.86 N -ATOM 5067 CA PHE C 67 51.956 -62.535 -16.636 1.00 8.20 C -ATOM 5068 CB PHE C 67 51.076 -63.294 -17.628 1.00 7.81 C -ATOM 5069 CG PHE C 67 51.735 -64.442 -18.345 1.00 8.47 C -ATOM 5070 CD1 PHE C 67 51.714 -65.734 -17.843 1.00 9.07 C -ATOM 5071 CE1 PHE C 67 52.358 -66.745 -18.559 1.00 9.25 C -ATOM 5072 CZ PHE C 67 52.939 -66.491 -19.776 1.00 10.37 C -ATOM 5073 CD2 PHE C 67 52.333 -64.211 -19.578 1.00 9.41 C -ATOM 5074 CE2 PHE C 67 52.958 -65.235 -20.281 1.00 10.23 C -ATOM 5075 C PHE C 67 51.109 -61.459 -15.966 1.00 7.94 C -ATOM 5076 O PHE C 67 50.505 -61.742 -14.896 1.00 8.33 O -ATOM 5077 N VAL C 68 50.965 -60.298 -16.574 1.00 7.94 N -ATOM 5078 CA VAL C 68 50.064 -59.234 -16.077 1.00 7.63 C -ATOM 5079 CB VAL C 68 50.849 -58.017 -15.588 1.00 7.92 C -ATOM 5080 CG1 VAL C 68 49.893 -56.873 -15.358 1.00 7.59 C -ATOM 5081 CG2 VAL C 68 51.648 -58.316 -14.317 1.00 8.52 C -ATOM 5082 C VAL C 68 49.081 -58.887 -17.201 1.00 8.00 C -ATOM 5083 O VAL C 68 49.498 -58.473 -18.284 1.00 9.18 O -ATOM 5084 N ARG C 69 47.807 -59.105 -16.897 1.00 8.92 N -ATOM 5085 CA ARG C 69 46.681 -58.798 -17.797 1.00 8.91 C -ATOM 5086 CB ARG C 69 46.622 -59.787 -18.968 1.00 8.85 C -ATOM 5087 CG ARG C 69 46.320 -61.233 -18.586 1.00 8.51 C -ATOM 5088 CD ARG C 69 46.225 -62.203 -19.776 1.00 8.73 C -ATOM 5089 NE ARG C 69 45.894 -63.558 -19.408 1.00 8.96 N -ATOM 5090 CZ ARG C 69 46.745 -64.491 -18.983 1.00 8.95 C -ATOM 5091 NH1 ARG C 69 48.043 -64.269 -18.970 1.00 9.22 N -ATOM 5092 NH2 ARG C 69 46.286 -65.638 -18.555 1.00 9.57 N -ATOM 5093 C ARG C 69 45.405 -58.881 -16.983 1.00 10.10 C -ATOM 5094 O ARG C 69 45.406 -59.425 -15.917 1.00 9.56 O -ATOM 5095 N HIS C 70 44.316 -58.382 -17.548 1.00 10.67 N -ATOM 5096 CA HIS C 70 43.019 -58.413 -16.833 1.00 12.01 C -ATOM 5097 CB HIS C 70 42.076 -57.301 -17.311 1.00 13.21 C -ATOM 5098 CG HIS C 70 40.831 -57.232 -16.477 1.00 14.69 C -ATOM 5099 ND1 HIS C 70 39.618 -56.778 -16.961 1.00 16.96 N -ATOM 5100 CE1 HIS C 70 38.700 -56.859 -16.019 1.00 16.47 C -ATOM 5101 NE2 HIS C 70 39.307 -57.235 -14.888 1.00 17.74 N -ATOM 5102 CD2 HIS C 70 40.604 -57.575 -15.191 1.00 15.77 C -ATOM 5103 C HIS C 70 42.333 -59.779 -17.015 1.00 12.54 C -ATOM 5104 O HIS C 70 41.873 -60.357 -16.033 1.00 13.75 O -ATOM 5105 N ASN C 71 42.218 -60.239 -18.250 1.00 13.04 N -ATOM 5106 CA ASN C 71 41.299 -61.322 -18.666 1.00 14.95 C -ATOM 5107 CB ASN C 71 40.659 -60.959 -20.008 1.00 17.22 C -ATOM 5108 CG ASN C 71 39.815 -59.700 -19.920 1.00 19.22 C -ATOM 5109 OD1 ASN C 71 39.901 -58.853 -20.802 1.00 23.65 O -ATOM 5110 ND2 ASN C 71 39.048 -59.578 -18.855 1.00 19.08 N -ATOM 5111 C ASN C 71 42.040 -62.649 -18.719 1.00 13.29 C -ATOM 5112 O ASN C 71 43.262 -62.656 -18.874 1.00 12.08 O -ATOM 5113 N PRO C 72 41.337 -63.783 -18.542 1.00 13.66 N -ATOM 5114 CA PRO C 72 41.969 -65.095 -18.632 1.00 13.76 C -ATOM 5115 CB PRO C 72 40.831 -66.129 -18.511 1.00 15.27 C -ATOM 5116 CG PRO C 72 39.565 -65.336 -18.266 1.00 16.09 C -ATOM 5117 CD PRO C 72 39.929 -63.868 -18.125 1.00 16.00 C -ATOM 5118 C PRO C 72 42.714 -65.273 -19.955 1.00 13.86 C -ATOM 5119 O PRO C 72 43.789 -65.893 -19.949 1.00 13.21 O -ATOM 5120 N GLY C 73 42.120 -64.817 -21.054 1.00 15.17 N -ATOM 5121 CA GLY C 73 42.758 -64.851 -22.379 1.00 18.35 C -ATOM 5122 C GLY C 73 43.076 -63.450 -22.853 1.00 19.68 C -ATOM 5123 O GLY C 73 42.385 -62.521 -22.420 1.00 20.82 O -ATOM 5124 N THR C 74 44.069 -63.297 -23.726 1.00 21.88 N -ATOM 5125 CA THR C 74 44.402 -62.017 -24.396 1.00 23.74 C -ATOM 5126 CB THR C 74 45.461 -61.249 -23.592 1.00 24.13 C -ATOM 5127 OG1 THR C 74 45.717 -60.009 -24.249 1.00 23.86 O -ATOM 5128 CG2 THR C 74 46.769 -61.992 -23.410 1.00 24.57 C -ATOM 5129 C THR C 74 44.839 -62.320 -25.833 1.00 27.18 C -ATOM 5130 O THR C 74 45.449 -63.386 -26.061 1.00 25.48 O -ATOM 5131 N LEU C 75 44.570 -61.400 -26.761 1.00 30.24 N -ATOM 5132 CA LEU C 75 45.029 -61.514 -28.176 1.00 32.14 C -ATOM 5133 CB LEU C 75 44.137 -60.655 -29.081 1.00 34.77 C -ATOM 5134 CG LEU C 75 42.650 -61.012 -29.055 1.00 37.22 C -ATOM 5135 CD1 LEU C 75 41.842 -60.041 -29.906 1.00 38.23 C -ATOM 5136 CD2 LEU C 75 42.421 -62.448 -29.511 1.00 38.96 C -ATOM 5137 C LEU C 75 46.513 -61.126 -28.293 1.00 30.85 C -ATOM 5138 O LEU C 75 47.107 -61.454 -29.337 1.00 29.54 O -ATOM 5139 N PHE C 76 47.112 -60.494 -27.266 1.00 26.84 N -ATOM 5140 CA PHE C 76 48.586 -60.279 -27.183 1.00 27.14 C -ATOM 5141 CB PHE C 76 48.935 -59.291 -26.060 1.00 28.18 C -ATOM 5142 CG PHE C 76 48.618 -57.849 -26.388 1.00 29.78 C -ATOM 5143 CD2 PHE C 76 47.390 -57.287 -26.051 1.00 31.57 C -ATOM 5144 CE2 PHE C 76 47.100 -55.961 -26.356 1.00 30.46 C -ATOM 5145 CZ PHE C 76 48.029 -55.185 -27.017 1.00 30.10 C -ATOM 5146 CD1 PHE C 76 49.545 -57.050 -27.046 1.00 31.91 C -ATOM 5147 CE1 PHE C 76 49.250 -55.728 -27.359 1.00 30.83 C -ATOM 5148 C PHE C 76 49.283 -61.647 -27.040 1.00 27.27 C -ATOM 5149 O PHE C 76 49.014 -62.411 -26.088 1.00 25.53 O -ATOM 5150 N GLN C 77 50.147 -61.973 -28.000 1.00 27.62 N -ATOM 5151 CA GLN C 77 50.851 -63.282 -28.061 1.00 28.46 C -ATOM 5152 CB GLN C 77 51.685 -63.398 -29.335 1.00 32.47 C -ATOM 5153 CG GLN C 77 50.854 -63.599 -30.591 1.00 37.26 C -ATOM 5154 CD GLN C 77 51.661 -64.254 -31.687 1.00 38.33 C -ATOM 5155 OE1 GLN C 77 52.874 -64.074 -31.779 1.00 40.38 O -ATOM 5156 NE2 GLN C 77 50.989 -65.043 -32.513 1.00 41.18 N -ATOM 5157 C GLN C 77 51.766 -63.463 -26.846 1.00 26.81 C -ATOM 5158 O GLN C 77 52.097 -64.605 -26.524 1.00 27.16 O -ATOM 5159 N SER C 78 52.207 -62.384 -26.213 1.00 22.87 N -ATOM 5160 CA SER C 78 53.098 -62.466 -25.029 1.00 19.94 C -ATOM 5161 CB SER C 78 53.714 -61.141 -24.722 1.00 22.01 C -ATOM 5162 OG SER C 78 52.708 -60.272 -24.240 1.00 22.66 O -ATOM 5163 C SER C 78 52.344 -63.015 -23.800 1.00 18.83 C -ATOM 5164 O SER C 78 53.061 -63.387 -22.858 1.00 18.92 O -ATOM 5165 N GLY C 79 50.994 -63.024 -23.784 1.00 15.99 N -ATOM 5166 CA GLY C 79 50.167 -63.266 -22.571 1.00 13.72 C -ATOM 5167 C GLY C 79 50.111 -62.064 -21.612 1.00 10.97 C -ATOM 5168 O GLY C 79 49.456 -62.171 -20.560 1.00 11.71 O -ATOM 5169 N ASN C 80 50.761 -60.965 -21.946 1.00 10.27 N -ATOM 5170 CA ASN C 80 50.722 -59.736 -21.137 1.00 11.44 C -ATOM 5171 CB ASN C 80 52.118 -59.192 -20.896 1.00 11.10 C -ATOM 5172 CG ASN C 80 52.986 -60.159 -20.122 1.00 10.62 C -ATOM 5173 OD1 ASN C 80 52.611 -60.592 -19.043 1.00 9.78 O -ATOM 5174 ND2 ASN C 80 54.131 -60.547 -20.664 1.00 11.19 N -ATOM 5175 C ASN C 80 49.870 -58.730 -21.893 1.00 10.74 C -ATOM 5176 O ASN C 80 50.029 -58.563 -23.149 1.00 12.36 O -ATOM 5177 N ASP C 81 49.043 -58.002 -21.153 1.00 11.32 N -ATOM 5178 CA ASP C 81 48.251 -56.878 -21.716 1.00 11.30 C -ATOM 5179 CB ASP C 81 46.838 -57.333 -22.093 1.00 13.91 C -ATOM 5180 CG ASP C 81 45.989 -56.283 -22.786 1.00 15.12 C -ATOM 5181 OD1 ASP C 81 46.400 -55.153 -22.846 1.00 16.02 O -ATOM 5182 OD2 ASP C 81 44.898 -56.658 -23.268 1.00 23.03 O -ATOM 5183 C ASP C 81 48.257 -55.769 -20.683 1.00 9.94 C -ATOM 5184 O ASP C 81 47.441 -55.824 -19.762 1.00 10.71 O -ATOM 5185 N ASN C 82 49.184 -54.847 -20.815 1.00 8.89 N -ATOM 5186 CA ASN C 82 49.353 -53.844 -19.744 1.00 9.20 C -ATOM 5187 CB ASN C 82 49.962 -54.454 -18.482 1.00 9.34 C -ATOM 5188 CG ASN C 82 51.348 -55.001 -18.730 1.00 9.54 C -ATOM 5189 OD1 ASN C 82 52.257 -54.239 -19.037 1.00 10.25 O -ATOM 5190 ND2 ASN C 82 51.489 -56.330 -18.624 1.00 8.54 N -ATOM 5191 C ASN C 82 50.163 -52.690 -20.286 1.00 9.27 C -ATOM 5192 O ASN C 82 50.700 -52.767 -21.387 1.00 10.55 O -ATOM 5193 N ASN C 83 50.328 -51.669 -19.465 1.00 9.75 N -ATOM 5194 CA ASN C 83 51.046 -50.424 -19.796 1.00 10.19 C -ATOM 5195 CB ASN C 83 50.189 -49.229 -19.420 1.00 10.16 C -ATOM 5196 CG ASN C 83 49.798 -49.228 -17.950 1.00 9.29 C -ATOM 5197 OD1 ASN C 83 50.409 -49.948 -17.154 1.00 9.37 O -ATOM 5198 ND2 ASN C 83 48.780 -48.440 -17.603 1.00 10.93 N -ATOM 5199 C ASN C 83 52.420 -50.347 -19.120 1.00 9.51 C -ATOM 5200 O ASN C 83 52.975 -49.268 -19.012 1.00 11.14 O -ATOM 5201 N CYS C 84 52.948 -51.482 -18.660 1.00 9.64 N -ATOM 5202 CA CYS C 84 54.299 -51.545 -18.074 1.00 9.88 C -ATOM 5203 CB CYS C 84 54.456 -52.807 -17.244 1.00 9.84 C -ATOM 5204 SG CYS C 84 53.190 -52.948 -15.967 1.00 9.71 S -ATOM 5205 C CYS C 84 55.386 -51.532 -19.165 1.00 10.26 C -ATOM 5206 O CYS C 84 55.120 -51.896 -20.320 1.00 11.32 O -ATOM 5207 N THR C 85 56.589 -51.166 -18.772 1.00 12.02 N -ATOM 5208 CA THR C 85 57.787 -51.190 -19.651 1.00 13.95 C -ATOM 5209 CB THR C 85 59.061 -50.908 -18.854 1.00 16.12 C -ATOM 5210 OG1 THR C 85 58.903 -49.579 -18.379 1.00 17.33 O -ATOM 5211 CG2 THR C 85 60.328 -51.016 -19.678 1.00 16.69 C -ATOM 5212 C THR C 85 57.898 -52.554 -20.359 1.00 17.01 C -ATOM 5213 O THR C 85 57.812 -53.616 -19.705 1.00 17.54 O -ATOM 5214 N GLY C 86 58.054 -52.521 -21.682 1.00 18.40 N -ATOM 5215 CA GLY C 86 58.084 -53.707 -22.572 1.00 22.16 C -ATOM 5216 C GLY C 86 56.792 -53.911 -23.365 1.00 25.46 C -ATOM 5217 O GLY C 86 56.703 -54.906 -24.092 1.00 23.07 O -ATOM 5218 N ASP C 87 55.801 -53.028 -23.196 1.00 29.15 N -ATOM 5219 CA ASP C 87 54.508 -53.029 -23.936 1.00 32.71 C -ATOM 5220 CB ASP C 87 53.549 -52.021 -23.284 1.00 36.17 C -ATOM 5221 CG ASP C 87 52.280 -51.722 -24.067 1.00 39.56 C -ATOM 5222 OD1 ASP C 87 51.881 -52.572 -24.902 1.00 40.26 O -ATOM 5223 OD2 ASP C 87 51.694 -50.639 -23.828 1.00 42.52 O -ATOM 5224 C ASP C 87 54.783 -52.748 -25.423 1.00 35.36 C -ATOM 5225 O ASP C 87 55.285 -51.639 -25.710 1.00 33.22 O -ATOM 5226 N LYS C 91 57.383 -58.784 -23.282 1.00 26.52 N -ATOM 5227 CA LYS C 91 58.327 -58.823 -22.121 1.00 24.20 C -ATOM 5228 CB LYS C 91 59.723 -58.411 -22.594 1.00 28.26 C -ATOM 5229 CG LYS C 91 60.464 -59.525 -23.319 1.00 32.61 C -ATOM 5230 CD LYS C 91 61.930 -59.271 -23.566 1.00 36.01 C -ATOM 5231 CE LYS C 91 62.624 -60.532 -24.037 1.00 36.91 C -ATOM 5232 NZ LYS C 91 64.088 -60.331 -24.115 1.00 40.97 N -ATOM 5233 C LYS C 91 57.864 -57.944 -20.947 1.00 18.28 C -ATOM 5234 O LYS C 91 58.643 -57.765 -19.947 1.00 18.62 O -ATOM 5235 N ASN C 92 56.672 -57.356 -21.049 1.00 14.03 N -ATOM 5236 CA ASN C 92 56.008 -56.579 -19.969 1.00 11.73 C -ATOM 5237 CB ASN C 92 55.129 -55.482 -20.566 1.00 11.78 C -ATOM 5238 CG ASN C 92 54.110 -55.966 -21.578 1.00 12.01 C -ATOM 5239 OD1 ASN C 92 54.358 -56.873 -22.369 1.00 13.08 O -ATOM 5240 ND2 ASN C 92 52.959 -55.309 -21.592 1.00 12.85 N -ATOM 5241 C ASN C 92 55.263 -57.546 -19.047 1.00 10.95 C -ATOM 5242 O ASN C 92 54.018 -57.548 -19.020 1.00 10.48 O -ATOM 5243 N ASP C 93 56.032 -58.327 -18.309 1.00 9.92 N -ATOM 5244 CA ASP C 93 55.479 -59.323 -17.358 1.00 9.89 C -ATOM 5245 CB ASP C 93 56.312 -60.597 -17.444 1.00 10.08 C -ATOM 5246 CG ASP C 93 57.749 -60.439 -16.943 1.00 10.54 C -ATOM 5247 OD1 ASP C 93 58.208 -59.325 -16.699 1.00 9.75 O -ATOM 5248 OD2 ASP C 93 58.437 -61.455 -16.825 1.00 13.96 O -ATOM 5249 C ASP C 93 55.410 -58.748 -15.944 1.00 9.78 C -ATOM 5250 O ASP C 93 55.644 -57.567 -15.756 1.00 9.25 O -ATOM 5251 N LEU C 94 55.098 -59.597 -14.967 1.00 8.50 N -ATOM 5252 CA LEU C 94 54.967 -59.083 -13.574 1.00 8.28 C -ATOM 5253 CB LEU C 94 54.580 -60.216 -12.619 1.00 8.54 C -ATOM 5254 CG LEU C 94 54.541 -59.810 -11.150 1.00 8.27 C -ATOM 5255 CD1 LEU C 94 53.550 -58.674 -10.941 1.00 8.93 C -ATOM 5256 CD2 LEU C 94 54.208 -60.989 -10.263 1.00 8.49 C -ATOM 5257 C LEU C 94 56.294 -58.456 -13.154 1.00 8.23 C -ATOM 5258 O LEU C 94 56.277 -57.357 -12.597 1.00 8.15 O -ATOM 5259 N GLU C 95 57.403 -59.141 -13.398 1.00 8.47 N -ATOM 5260 CA GLU C 95 58.725 -58.618 -12.982 1.00 8.62 C -ATOM 5261 CB GLU C 95 59.822 -59.608 -13.360 1.00 9.68 C -ATOM 5262 CG GLU C 95 61.189 -59.147 -12.905 1.00 11.08 C -ATOM 5263 CD GLU C 95 62.274 -60.208 -12.904 1.00 12.30 C -ATOM 5264 OE1 GLU C 95 61.930 -61.358 -13.020 1.00 13.43 O -ATOM 5265 OE2 GLU C 95 63.459 -59.861 -12.815 1.00 14.25 O -ATOM 5266 C GLU C 95 58.944 -57.232 -13.605 1.00 8.79 C -ATOM 5267 O GLU C 95 59.449 -56.326 -12.925 1.00 8.21 O -ATOM 5268 N ALA C 96 58.609 -57.059 -14.889 1.00 8.72 N -ATOM 5269 CA ALA C 96 58.789 -55.750 -15.552 1.00 9.04 C -ATOM 5270 CB ALA C 96 58.459 -55.869 -17.029 1.00 9.73 C -ATOM 5271 C ALA C 96 57.942 -54.675 -14.848 1.00 8.50 C -ATOM 5272 O ALA C 96 58.414 -53.553 -14.582 1.00 8.70 O -ATOM 5273 N CYS C 97 56.673 -54.953 -14.580 1.00 8.08 N -ATOM 5274 CA CYS C 97 55.796 -53.994 -13.855 1.00 8.59 C -ATOM 5275 CB CYS C 97 54.392 -54.570 -13.701 1.00 9.03 C -ATOM 5276 SG CYS C 97 53.521 -54.842 -15.279 1.00 9.50 S -ATOM 5277 C CYS C 97 56.362 -53.636 -12.475 1.00 8.10 C -ATOM 5278 O CYS C 97 56.362 -52.464 -12.086 1.00 9.07 O -ATOM 5279 N LEU C 98 56.830 -54.645 -11.752 1.00 7.64 N -ATOM 5280 CA LEU C 98 57.420 -54.377 -10.437 1.00 8.79 C -ATOM 5281 CB LEU C 98 57.778 -55.684 -9.742 1.00 8.96 C -ATOM 5282 CG LEU C 98 56.594 -56.599 -9.428 1.00 9.74 C -ATOM 5283 CD1 LEU C 98 57.111 -57.839 -8.738 1.00 10.42 C -ATOM 5284 CD2 LEU C 98 55.534 -55.888 -8.594 1.00 10.90 C -ATOM 5285 C LEU C 98 58.649 -53.499 -10.614 1.00 8.49 C -ATOM 5286 O LEU C 98 58.872 -52.591 -9.809 1.00 9.03 O -ATOM 5287 N ASN C 99 59.477 -53.753 -11.614 1.00 9.41 N -ATOM 5288 CA ASN C 99 60.689 -52.929 -11.840 1.00 9.53 C -ATOM 5289 CB ASN C 99 61.582 -53.515 -12.922 1.00 10.35 C -ATOM 5290 CG ASN C 99 62.583 -54.457 -12.285 1.00 11.94 C -ATOM 5291 OD1 ASN C 99 63.221 -54.115 -11.293 1.00 16.03 O -ATOM 5292 ND2 ASN C 99 62.716 -55.651 -12.803 1.00 14.62 N -ATOM 5293 C ASN C 99 60.303 -51.492 -12.178 1.00 9.52 C -ATOM 5294 O ASN C 99 61.033 -50.603 -11.769 1.00 10.67 O -ATOM 5295 N ASP C 100 59.159 -51.274 -12.806 1.00 9.13 N -ATOM 5296 CA ASP C 100 58.762 -49.883 -13.077 1.00 9.41 C -ATOM 5297 CB ASP C 100 57.479 -49.814 -13.887 1.00 10.73 C -ATOM 5298 CG ASP C 100 57.599 -50.106 -15.359 1.00 11.63 C -ATOM 5299 OD1 ASP C 100 58.719 -50.069 -15.878 1.00 15.65 O -ATOM 5300 OD2 ASP C 100 56.579 -50.356 -15.947 1.00 12.09 O -ATOM 5301 C ASP C 100 58.593 -49.170 -11.731 1.00 9.20 C -ATOM 5302 O ASP C 100 58.970 -48.002 -11.590 1.00 9.56 O -ATOM 5303 N VAL C 101 58.006 -49.827 -10.741 1.00 8.91 N -ATOM 5304 CA VAL C 101 57.816 -49.185 -9.414 1.00 9.06 C -ATOM 5305 CB VAL C 101 56.858 -50.007 -8.560 1.00 9.32 C -ATOM 5306 CG1 VAL C 101 56.742 -49.418 -7.153 1.00 9.50 C -ATOM 5307 CG2 VAL C 101 55.521 -50.130 -9.268 1.00 10.24 C -ATOM 5308 C VAL C 101 59.183 -49.009 -8.739 1.00 8.85 C -ATOM 5309 O VAL C 101 59.471 -47.921 -8.155 1.00 9.13 O -ATOM 5310 N LYS C 102 60.027 -50.037 -8.774 1.00 9.20 N -ATOM 5311 CA LYS C 102 61.375 -49.960 -8.170 1.00 9.51 C -ATOM 5312 CB LYS C 102 62.041 -51.299 -8.443 1.00 10.24 C -ATOM 5313 CG LYS C 102 63.371 -51.488 -7.760 1.00 12.48 C -ATOM 5314 CD LYS C 102 64.588 -50.941 -8.408 1.00 14.96 C -ATOM 5315 CE LYS C 102 65.830 -51.447 -7.696 1.00 17.21 C -ATOM 5316 NZ LYS C 102 67.026 -50.633 -8.009 1.00 18.77 N -ATOM 5317 C LYS C 102 62.149 -48.781 -8.767 1.00 9.30 C -ATOM 5318 O LYS C 102 62.758 -47.997 -8.038 1.00 9.61 O -ATOM 5319 N ASN C 103 62.083 -48.644 -10.081 1.00 9.57 N -ATOM 5320 CA ASN C 103 62.799 -47.568 -10.807 1.00 9.91 C -ATOM 5321 CB ASN C 103 62.782 -47.772 -12.314 1.00 11.22 C -ATOM 5322 CG ASN C 103 63.678 -48.910 -12.722 1.00 13.33 C -ATOM 5323 OD1 ASN C 103 64.615 -49.245 -12.010 1.00 15.85 O -ATOM 5324 ND2 ASN C 103 63.373 -49.519 -13.844 1.00 16.48 N -ATOM 5325 C ASN C 103 62.249 -46.198 -10.423 1.00 9.84 C -ATOM 5326 O ASN C 103 63.056 -45.293 -10.158 1.00 10.81 O -ATOM 5327 N TRP C 104 60.931 -46.041 -10.371 1.00 9.07 N -ATOM 5328 CA TRP C 104 60.334 -44.769 -9.919 1.00 9.54 C -ATOM 5329 CB TRP C 104 58.817 -44.817 -10.005 1.00 9.46 C -ATOM 5330 CG TRP C 104 58.183 -43.496 -9.718 1.00 9.03 C -ATOM 5331 CD1 TRP C 104 57.729 -42.580 -10.628 1.00 9.06 C -ATOM 5332 NE1 TRP C 104 57.195 -41.509 -9.990 1.00 9.32 N -ATOM 5333 CE2 TRP C 104 57.293 -41.696 -8.636 1.00 8.68 C -ATOM 5334 CD2 TRP C 104 57.892 -42.955 -8.426 1.00 8.93 C -ATOM 5335 CE3 TRP C 104 58.068 -43.404 -7.114 1.00 8.85 C -ATOM 5336 CZ3 TRP C 104 57.677 -42.565 -6.094 1.00 8.84 C -ATOM 5337 CH2 TRP C 104 57.116 -41.303 -6.324 1.00 9.31 C -ATOM 5338 CZ2 TRP C 104 56.903 -40.853 -7.599 1.00 9.54 C -ATOM 5339 C TRP C 104 60.822 -44.464 -8.507 1.00 9.26 C -ATOM 5340 O TRP C 104 61.184 -43.299 -8.204 1.00 9.42 O -ATOM 5341 N SER C 105 60.805 -45.465 -7.641 1.00 8.85 N -ATOM 5342 CA SER C 105 61.229 -45.267 -6.242 1.00 9.41 C -ATOM 5343 CB SER C 105 61.064 -46.529 -5.461 1.00 9.15 C -ATOM 5344 OG SER C 105 61.678 -46.427 -4.215 1.00 9.05 O -ATOM 5345 C SER C 105 62.670 -44.749 -6.194 1.00 9.15 C -ATOM 5346 O SER C 105 62.960 -43.769 -5.459 1.00 9.87 O -ATOM 5347 N ASP C 106 63.580 -45.364 -6.948 1.00 9.90 N -ATOM 5348 CA ASP C 106 65.007 -44.922 -7.011 1.00 10.17 C -ATOM 5349 CB ASP C 106 65.788 -45.800 -7.999 1.00 11.84 C -ATOM 5350 CG ASP C 106 66.126 -47.175 -7.471 1.00 12.63 C -ATOM 5351 OD1 ASP C 106 66.061 -47.357 -6.258 1.00 13.57 O -ATOM 5352 OD2 ASP C 106 66.549 -48.018 -8.273 1.00 14.00 O -ATOM 5353 C ASP C 106 65.079 -43.453 -7.436 1.00 10.64 C -ATOM 5354 O ASP C 106 65.956 -42.744 -6.958 1.00 11.50 O -ATOM 5355 N LYS C 107 64.229 -43.036 -8.362 1.00 10.85 N -ATOM 5356 CA LYS C 107 64.294 -41.685 -8.950 1.00 12.72 C -ATOM 5357 CB LYS C 107 63.698 -41.734 -10.359 1.00 14.82 C -ATOM 5358 CG LYS C 107 64.748 -42.233 -11.344 1.00 19.47 C -ATOM 5359 CD LYS C 107 64.356 -42.784 -12.686 1.00 24.89 C -ATOM 5360 CE LYS C 107 65.496 -43.674 -13.162 1.00 29.85 C -ATOM 5361 NZ LYS C 107 65.473 -43.974 -14.614 1.00 31.57 N -ATOM 5362 C LYS C 107 63.634 -40.670 -8.030 1.00 11.94 C -ATOM 5363 O LYS C 107 63.766 -39.464 -8.316 1.00 12.79 O -ATOM 5364 N HIS C 108 62.924 -41.089 -6.981 1.00 11.82 N -ATOM 5365 CA HIS C 108 62.174 -40.153 -6.109 1.00 10.93 C -ATOM 5366 CB HIS C 108 60.672 -40.216 -6.360 1.00 11.35 C -ATOM 5367 CG HIS C 108 60.341 -39.817 -7.745 1.00 11.24 C -ATOM 5368 ND1 HIS C 108 60.424 -40.700 -8.797 1.00 10.82 N -ATOM 5369 CE1 HIS C 108 60.090 -40.066 -9.912 1.00 11.52 C -ATOM 5370 NE2 HIS C 108 59.793 -38.803 -9.595 1.00 12.45 N -ATOM 5371 CD2 HIS C 108 59.953 -38.626 -8.258 1.00 11.43 C -ATOM 5372 C HIS C 108 62.502 -40.468 -4.658 1.00 11.39 C -ATOM 5373 O HIS C 108 61.625 -40.837 -3.892 1.00 12.05 O -ATOM 5374 N PRO C 109 63.766 -40.281 -4.217 1.00 13.46 N -ATOM 5375 CA PRO C 109 64.118 -40.544 -2.823 1.00 13.98 C -ATOM 5376 CB PRO C 109 65.640 -40.259 -2.734 1.00 16.05 C -ATOM 5377 CG PRO C 109 65.932 -39.370 -3.941 1.00 17.71 C -ATOM 5378 CD PRO C 109 64.876 -39.669 -4.989 1.00 14.83 C -ATOM 5379 C PRO C 109 63.271 -39.641 -1.905 1.00 14.74 C -ATOM 5380 O PRO C 109 63.035 -38.502 -2.220 1.00 16.49 O -ATOM 5381 N GLY C 110 62.822 -40.153 -0.762 1.00 13.21 N -ATOM 5382 CA GLY C 110 61.968 -39.410 0.173 1.00 12.80 C -ATOM 5383 C GLY C 110 60.493 -39.599 -0.142 1.00 11.69 C -ATOM 5384 O GLY C 110 59.662 -38.841 0.406 1.00 13.88 O -ATOM 5385 N HIS C 111 60.138 -40.505 -1.044 1.00 10.42 N -ATOM 5386 CA HIS C 111 58.731 -40.627 -1.486 1.00 9.33 C -ATOM 5387 CB HIS C 111 58.646 -41.445 -2.760 1.00 8.33 C -ATOM 5388 CG HIS C 111 59.010 -42.871 -2.653 1.00 8.22 C -ATOM 5389 ND1 HIS C 111 58.188 -43.843 -2.081 1.00 8.05 N -ATOM 5390 CE1 HIS C 111 58.798 -45.011 -2.204 1.00 7.51 C -ATOM 5391 NE2 HIS C 111 59.977 -44.858 -2.871 1.00 7.95 N -ATOM 5392 CD2 HIS C 111 60.084 -43.530 -3.143 1.00 8.43 C -ATOM 5393 C HIS C 111 57.837 -41.144 -0.363 1.00 8.66 C -ATOM 5394 O HIS C 111 58.270 -41.940 0.481 1.00 8.21 O -ATOM 5395 N PHE C 112 56.626 -40.619 -0.339 1.00 8.30 N -ATOM 5396 CA PHE C 112 55.542 -41.208 0.455 1.00 7.63 C -ATOM 5397 CB PHE C 112 54.244 -40.496 0.074 1.00 7.93 C -ATOM 5398 CG PHE C 112 53.062 -40.896 0.896 1.00 7.86 C -ATOM 5399 CD1 PHE C 112 52.324 -42.026 0.598 1.00 8.02 C -ATOM 5400 CE1 PHE C 112 51.234 -42.394 1.372 1.00 8.67 C -ATOM 5401 CZ PHE C 112 50.837 -41.600 2.417 1.00 8.37 C -ATOM 5402 CD2 PHE C 112 52.672 -40.104 1.959 1.00 8.98 C -ATOM 5403 CE2 PHE C 112 51.548 -40.451 2.691 1.00 8.91 C -ATOM 5404 C PHE C 112 55.513 -42.700 0.138 1.00 7.15 C -ATOM 5405 O PHE C 112 55.725 -43.092 -1.002 1.00 7.30 O -ATOM 5406 N PRO C 113 55.227 -43.583 1.122 1.00 6.81 N -ATOM 5407 CA PRO C 113 55.253 -45.022 0.849 1.00 6.72 C -ATOM 5408 CB PRO C 113 54.824 -45.654 2.170 1.00 7.44 C -ATOM 5409 CG PRO C 113 54.108 -44.530 2.873 1.00 7.25 C -ATOM 5410 CD PRO C 113 54.905 -43.289 2.526 1.00 7.01 C -ATOM 5411 C PRO C 113 54.311 -45.417 -0.286 1.00 6.91 C -ATOM 5412 O PRO C 113 53.143 -44.937 -0.349 1.00 6.83 O -ATOM 5413 N ILE C 114 54.777 -46.303 -1.146 1.00 6.66 N -ATOM 5414 CA ILE C 114 53.980 -46.841 -2.251 1.00 6.65 C -ATOM 5415 CB ILE C 114 54.866 -47.095 -3.462 1.00 7.46 C -ATOM 5416 CG1 ILE C 114 55.460 -45.780 -3.986 1.00 8.24 C -ATOM 5417 CG2 ILE C 114 54.053 -47.810 -4.536 1.00 7.62 C -ATOM 5418 CD1 ILE C 114 56.579 -45.983 -4.976 1.00 9.33 C -ATOM 5419 C ILE C 114 53.336 -48.141 -1.805 1.00 6.92 C -ATOM 5420 O ILE C 114 54.073 -49.023 -1.301 1.00 7.16 O -ATOM 5421 N THR C 115 52.045 -48.304 -2.024 1.00 6.38 N -ATOM 5422 CA THR C 115 51.351 -49.570 -1.783 1.00 6.66 C -ATOM 5423 CB THR C 115 50.150 -49.319 -0.870 1.00 7.18 C -ATOM 5424 OG1 THR C 115 50.564 -48.761 0.381 1.00 7.68 O -ATOM 5425 CG2 THR C 115 49.363 -50.584 -0.612 1.00 7.61 C -ATOM 5426 C THR C 115 50.972 -50.187 -3.105 1.00 6.93 C -ATOM 5427 O THR C 115 50.329 -49.488 -3.929 1.00 7.75 O -ATOM 5428 N LEU C 116 51.359 -51.442 -3.318 1.00 7.31 N -ATOM 5429 CA LEU C 116 51.043 -52.157 -4.566 1.00 7.92 C -ATOM 5430 CB LEU C 116 52.299 -52.742 -5.199 1.00 9.88 C -ATOM 5431 CG LEU C 116 53.364 -51.819 -5.701 1.00 13.43 C -ATOM 5432 CD1 LEU C 116 54.305 -52.621 -6.585 1.00 15.37 C -ATOM 5433 CD2 LEU C 116 52.760 -50.680 -6.477 1.00 14.58 C -ATOM 5434 C LEU C 116 50.110 -53.307 -4.236 1.00 7.93 C -ATOM 5435 O LEU C 116 50.509 -54.208 -3.501 1.00 7.83 O -ATOM 5436 N ILE C 117 48.915 -53.253 -4.757 1.00 7.03 N -ATOM 5437 CA ILE C 117 47.907 -54.329 -4.637 1.00 7.84 C -ATOM 5438 CB ILE C 117 46.496 -53.727 -4.783 1.00 9.44 C -ATOM 5439 CG1 ILE C 117 46.188 -52.533 -3.854 1.00 9.28 C -ATOM 5440 CG2 ILE C 117 45.409 -54.793 -4.710 1.00 10.43 C -ATOM 5441 CD1 ILE C 117 46.417 -52.812 -2.407 1.00 10.63 C -ATOM 5442 C ILE C 117 48.234 -55.345 -5.736 1.00 7.86 C -ATOM 5443 O ILE C 117 48.210 -55.001 -6.956 1.00 9.63 O -ATOM 5444 N LEU C 118 48.585 -56.543 -5.343 1.00 7.26 N -ATOM 5445 CA LEU C 118 48.886 -57.671 -6.263 1.00 7.12 C -ATOM 5446 CB LEU C 118 50.201 -58.348 -5.868 1.00 7.71 C -ATOM 5447 CG LEU C 118 51.352 -57.358 -5.727 1.00 8.41 C -ATOM 5448 CD1 LEU C 118 52.632 -58.027 -5.202 1.00 8.41 C -ATOM 5449 CD2 LEU C 118 51.647 -56.610 -7.001 1.00 8.67 C -ATOM 5450 C LEU C 118 47.713 -58.637 -6.226 1.00 6.68 C -ATOM 5451 O LEU C 118 47.523 -59.367 -5.250 1.00 7.49 O -ATOM 5452 N ASP C 119 46.868 -58.518 -7.244 1.00 7.10 N -ATOM 5453 CA ASP C 119 45.582 -59.213 -7.321 1.00 7.78 C -ATOM 5454 CB ASP C 119 44.576 -58.288 -7.983 1.00 8.50 C -ATOM 5455 CG ASP C 119 43.155 -58.810 -7.941 1.00 10.33 C -ATOM 5456 OD1 ASP C 119 42.956 -59.843 -7.255 1.00 10.97 O -ATOM 5457 OD2 ASP C 119 42.252 -58.220 -8.614 1.00 12.34 O -ATOM 5458 C ASP C 119 45.855 -60.495 -8.080 1.00 7.38 C -ATOM 5459 O ASP C 119 45.988 -60.498 -9.351 1.00 8.10 O -ATOM 5460 N LYS C 120 45.960 -61.568 -7.352 1.00 7.15 N -ATOM 5461 CA LYS C 120 46.333 -62.856 -7.929 1.00 7.30 C -ATOM 5462 CB LYS C 120 46.906 -63.753 -6.833 1.00 7.83 C -ATOM 5463 CG LYS C 120 47.480 -65.050 -7.386 1.00 7.98 C -ATOM 5464 CD LYS C 120 48.078 -65.948 -6.306 1.00 8.95 C -ATOM 5465 CE LYS C 120 49.101 -66.947 -6.811 1.00 9.46 C -ATOM 5466 NZ LYS C 120 48.755 -67.554 -8.124 1.00 8.84 N -ATOM 5467 C LYS C 120 45.091 -63.462 -8.581 1.00 7.71 C -ATOM 5468 O LYS C 120 44.084 -63.643 -7.903 1.00 8.15 O -ATOM 5469 N LYS C 121 45.197 -63.905 -9.831 1.00 7.47 N -ATOM 5470 CA LYS C 121 44.003 -64.327 -10.615 1.00 8.04 C -ATOM 5471 CB LYS C 121 44.046 -63.732 -12.015 1.00 8.97 C -ATOM 5472 CG LYS C 121 43.826 -62.230 -11.982 1.00 10.43 C -ATOM 5473 CD LYS C 121 42.462 -61.822 -11.414 1.00 12.70 C -ATOM 5474 CE LYS C 121 42.269 -60.323 -11.359 1.00 13.99 C -ATOM 5475 NZ LYS C 121 41.013 -59.966 -10.656 1.00 17.20 N -ATOM 5476 C LYS C 121 43.864 -65.848 -10.664 1.00 7.90 C -ATOM 5477 O LYS C 121 42.799 -66.312 -11.096 1.00 10.08 O -ATOM 5478 N GLN C 122 44.878 -66.625 -10.321 1.00 8.42 N -ATOM 5479 CA GLN C 122 44.786 -68.099 -10.344 1.00 8.67 C -ATOM 5480 CB GLN C 122 45.594 -68.642 -11.519 1.00 8.99 C -ATOM 5481 CG GLN C 122 45.032 -68.142 -12.838 1.00 8.81 C -ATOM 5482 CD GLN C 122 45.784 -68.715 -14.022 1.00 9.13 C -ATOM 5483 OE1 GLN C 122 46.971 -68.441 -14.252 1.00 9.71 O -ATOM 5484 NE2 GLN C 122 45.035 -69.467 -14.824 1.00 11.05 N -ATOM 5485 C GLN C 122 45.264 -68.647 -9.003 1.00 9.12 C -ATOM 5486 O GLN C 122 45.792 -67.891 -8.141 1.00 8.98 O -ATOM 5487 N GLY C 123 45.093 -69.937 -8.809 1.00 9.48 N -ATOM 5488 CA GLY C 123 45.517 -70.658 -7.614 1.00 10.04 C -ATOM 5489 C GLY C 123 47.016 -70.673 -7.510 1.00 9.06 C -ATOM 5490 O GLY C 123 47.750 -70.267 -8.441 1.00 9.64 O -ATOM 5491 N TRP C 124 47.530 -71.095 -6.375 1.00 9.32 N -ATOM 5492 CA TRP C 124 48.978 -71.317 -6.227 1.00 8.53 C -ATOM 5493 CB TRP C 124 49.358 -71.553 -4.769 1.00 8.60 C -ATOM 5494 CG TRP C 124 49.273 -70.273 -4.004 1.00 7.53 C -ATOM 5495 CD1 TRP C 124 48.326 -69.910 -3.096 1.00 7.46 C -ATOM 5496 NE1 TRP C 124 48.557 -68.625 -2.673 1.00 6.97 N -ATOM 5497 CE2 TRP C 124 49.693 -68.153 -3.258 1.00 6.83 C -ATOM 5498 CD2 TRP C 124 50.167 -69.163 -4.134 1.00 7.05 C -ATOM 5499 CE3 TRP C 124 51.312 -68.916 -4.901 1.00 7.40 C -ATOM 5500 CZ3 TRP C 124 51.942 -67.714 -4.769 1.00 8.05 C -ATOM 5501 CH2 TRP C 124 51.440 -66.710 -3.946 1.00 7.60 C -ATOM 5502 CZ2 TRP C 124 50.288 -66.893 -3.209 1.00 7.01 C -ATOM 5503 C TRP C 124 49.354 -72.521 -7.064 1.00 8.82 C -ATOM 5504 O TRP C 124 48.821 -73.623 -6.872 1.00 10.15 O -ATOM 5505 N SER C 125 50.321 -72.347 -7.936 1.00 8.73 N -ATOM 5506 CA SER C 125 50.885 -73.527 -8.619 1.00 9.44 C -ATOM 5507 CB SER C 125 51.738 -73.169 -9.795 1.00 9.89 C -ATOM 5508 OG SER C 125 50.956 -72.675 -10.880 1.00 10.47 O -ATOM 5509 C SER C 125 51.606 -74.430 -7.608 1.00 8.91 C -ATOM 5510 O SER C 125 52.066 -74.009 -6.524 1.00 10.09 O -ATOM 5511 N LYS C 126 51.668 -75.698 -7.933 1.00 9.47 N -ATOM 5512 CA LYS C 126 52.047 -76.766 -7.000 1.00 10.46 C -ATOM 5513 CB LYS C 126 51.454 -78.078 -7.522 1.00 10.75 C -ATOM 5514 CG LYS C 126 49.931 -78.173 -7.426 1.00 12.46 C -ATOM 5515 CD LYS C 126 49.332 -79.361 -8.133 1.00 15.24 C -ATOM 5516 CE LYS C 126 47.872 -79.578 -7.815 1.00 17.83 C -ATOM 5517 NZ LYS C 126 47.435 -80.854 -8.413 1.00 22.49 N -ATOM 5518 C LYS C 126 53.568 -76.850 -6.815 1.00 10.34 C -ATOM 5519 O LYS C 126 54.354 -76.147 -7.461 1.00 8.87 O -ATOM 5520 N GLU C 127 53.955 -77.761 -5.949 1.00 11.41 N -ATOM 5521 CA GLU C 127 55.363 -78.017 -5.637 1.00 12.16 C -ATOM 5522 CB GLU C 127 55.424 -79.250 -4.759 1.00 13.87 C -ATOM 5523 CG GLU C 127 56.785 -79.412 -4.162 1.00 15.28 C -ATOM 5524 CD GLU C 127 56.872 -80.558 -3.185 1.00 19.68 C -ATOM 5525 OE1 GLU C 127 56.351 -81.648 -3.502 1.00 23.94 O -ATOM 5526 OE2 GLU C 127 57.392 -80.332 -2.101 1.00 23.35 O -ATOM 5527 C GLU C 127 56.172 -78.207 -6.928 1.00 11.25 C -ATOM 5528 O GLU C 127 55.702 -78.870 -7.873 1.00 10.69 O -ATOM 5529 N SER C 128 57.351 -77.593 -6.950 1.00 10.80 N -ATOM 5530 CA SER C 128 58.400 -77.687 -7.999 1.00 10.52 C -ATOM 5531 CB SER C 128 58.741 -79.127 -8.385 1.00 10.52 C -ATOM 5532 OG SER C 128 59.081 -79.875 -7.254 1.00 12.42 O -ATOM 5533 C SER C 128 57.999 -76.875 -9.215 1.00 10.33 C -ATOM 5534 O SER C 128 58.703 -76.927 -10.234 1.00 10.59 O -ATOM 5535 N SER C 129 56.948 -76.060 -9.163 1.00 9.10 N -ATOM 5536 CA SER C 129 56.491 -75.279 -10.337 1.00 8.85 C -ATOM 5537 CB SER C 129 55.054 -74.937 -10.156 1.00 8.94 C -ATOM 5538 OG SER C 129 54.901 -74.024 -9.054 1.00 9.32 O -ATOM 5539 C SER C 129 57.304 -74.005 -10.533 1.00 7.90 C -ATOM 5540 O SER C 129 57.199 -73.383 -11.567 1.00 8.12 O -ATOM 5541 N GLY C 130 57.997 -73.542 -9.495 1.00 7.24 N -ATOM 5542 CA GLY C 130 58.639 -72.216 -9.489 1.00 7.82 C -ATOM 5543 C GLY C 130 57.674 -71.075 -9.289 1.00 7.43 C -ATOM 5544 O GLY C 130 58.063 -69.947 -9.493 1.00 7.95 O -ATOM 5545 N ARG C 131 56.420 -71.386 -8.940 1.00 6.99 N -ATOM 5546 CA ARG C 131 55.398 -70.322 -8.687 1.00 7.26 C -ATOM 5547 CB ARG C 131 54.470 -70.170 -9.893 1.00 7.64 C -ATOM 5548 CG ARG C 131 55.170 -69.715 -11.171 1.00 7.93 C -ATOM 5549 CD ARG C 131 54.164 -69.377 -12.253 1.00 7.97 C -ATOM 5550 NE ARG C 131 53.259 -70.508 -12.447 1.00 7.87 N -ATOM 5551 CZ ARG C 131 53.525 -71.568 -13.212 1.00 8.54 C -ATOM 5552 NH1 ARG C 131 54.588 -71.591 -13.985 1.00 8.89 N -ATOM 5553 NH2 ARG C 131 52.714 -72.616 -13.197 1.00 7.80 N -ATOM 5554 C ARG C 131 54.657 -70.591 -7.379 1.00 7.70 C -ATOM 5555 O ARG C 131 53.487 -70.213 -7.254 1.00 8.40 O -ATOM 5556 N THR C 132 55.341 -71.172 -6.414 1.00 7.34 N -ATOM 5557 CA THR C 132 54.783 -71.381 -5.074 1.00 7.38 C -ATOM 5558 CB THR C 132 55.537 -72.498 -4.374 1.00 8.33 C -ATOM 5559 OG1 THR C 132 56.812 -71.964 -3.986 1.00 9.65 O -ATOM 5560 CG2 THR C 132 55.681 -73.768 -5.209 1.00 8.86 C -ATOM 5561 C THR C 132 54.865 -70.091 -4.270 1.00 6.39 C -ATOM 5562 O THR C 132 55.474 -69.119 -4.700 1.00 7.00 O -ATOM 5563 N PRO C 133 54.238 -70.028 -3.054 1.00 6.70 N -ATOM 5564 CA PRO C 133 54.409 -68.831 -2.221 1.00 6.66 C -ATOM 5565 CB PRO C 133 53.711 -69.275 -0.942 1.00 6.56 C -ATOM 5566 CG PRO C 133 52.554 -70.137 -1.416 1.00 6.47 C -ATOM 5567 CD PRO C 133 53.156 -70.906 -2.554 1.00 6.55 C -ATOM 5568 C PRO C 133 55.857 -68.386 -1.993 1.00 6.56 C -ATOM 5569 O PRO C 133 56.170 -67.223 -2.059 1.00 7.07 O -ATOM 5570 N LYS C 134 56.750 -69.324 -1.757 1.00 6.83 N -ATOM 5571 CA LYS C 134 58.167 -68.976 -1.555 1.00 7.77 C -ATOM 5572 CB LYS C 134 58.888 -70.257 -1.132 1.00 9.06 C -ATOM 5573 CG LYS C 134 60.395 -70.155 -1.112 1.00 12.29 C -ATOM 5574 CD LYS C 134 60.868 -69.269 -0.024 1.00 13.55 C -ATOM 5575 CE LYS C 134 62.382 -69.299 0.113 1.00 15.34 C -ATOM 5576 NZ LYS C 134 62.789 -68.326 1.151 1.00 16.75 N -ATOM 5577 C LYS C 134 58.753 -68.353 -2.830 1.00 7.46 C -ATOM 5578 O LYS C 134 59.540 -67.426 -2.723 1.00 7.84 O -ATOM 5579 N ASP C 135 58.380 -68.888 -3.989 1.00 6.92 N -ATOM 5580 CA ASP C 135 58.925 -68.352 -5.257 1.00 7.31 C -ATOM 5581 CB ASP C 135 58.519 -69.249 -6.411 1.00 8.23 C -ATOM 5582 CG ASP C 135 59.073 -70.643 -6.282 1.00 8.29 C -ATOM 5583 OD1 ASP C 135 60.288 -70.764 -6.146 1.00 11.84 O -ATOM 5584 OD2 ASP C 135 58.320 -71.595 -6.313 1.00 9.30 O -ATOM 5585 C ASP C 135 58.417 -66.931 -5.485 1.00 7.54 C -ATOM 5586 O ASP C 135 59.133 -66.066 -5.978 1.00 7.70 O -ATOM 5587 N PHE C 136 57.171 -66.662 -5.121 1.00 7.30 N -ATOM 5588 CA PHE C 136 56.586 -65.296 -5.240 1.00 7.29 C -ATOM 5589 CB PHE C 136 55.109 -65.410 -4.894 1.00 7.71 C -ATOM 5590 CG PHE C 136 54.358 -64.125 -5.016 1.00 9.44 C -ATOM 5591 CD1 PHE C 136 54.130 -63.568 -6.274 1.00 11.02 C -ATOM 5592 CE1 PHE C 136 53.411 -62.385 -6.405 1.00 12.75 C -ATOM 5593 CZ PHE C 136 52.901 -61.785 -5.294 1.00 13.99 C -ATOM 5594 CD2 PHE C 136 53.816 -63.505 -3.905 1.00 11.45 C -ATOM 5595 CE2 PHE C 136 53.095 -62.334 -4.056 1.00 13.68 C -ATOM 5596 C PHE C 136 57.371 -64.347 -4.332 1.00 7.04 C -ATOM 5597 O PHE C 136 57.732 -63.237 -4.750 1.00 7.32 O -ATOM 5598 N ASP C 137 57.562 -64.729 -3.067 1.00 6.81 N -ATOM 5599 CA ASP C 137 58.366 -63.909 -2.147 1.00 7.56 C -ATOM 5600 CB ASP C 137 58.457 -64.535 -0.762 1.00 7.32 C -ATOM 5601 CG ASP C 137 57.287 -64.190 0.147 1.00 7.74 C -ATOM 5602 OD1 ASP C 137 56.316 -63.554 -0.316 1.00 8.36 O -ATOM 5603 OD2 ASP C 137 57.379 -64.563 1.326 1.00 8.46 O -ATOM 5604 C ASP C 137 59.764 -63.700 -2.683 1.00 7.79 C -ATOM 5605 O ASP C 137 60.286 -62.579 -2.562 1.00 8.32 O -ATOM 5606 N GLU C 138 60.378 -64.707 -3.297 1.00 7.85 N -ATOM 5607 CA GLU C 138 61.764 -64.530 -3.813 1.00 8.68 C -ATOM 5608 CB GLU C 138 62.355 -65.887 -4.190 1.00 11.02 C -ATOM 5609 CG GLU C 138 62.778 -66.658 -2.947 1.00 14.76 C -ATOM 5610 CD GLU C 138 63.524 -67.949 -3.218 1.00 20.41 C -ATOM 5611 OE1 GLU C 138 63.102 -68.676 -4.136 1.00 25.29 O -ATOM 5612 OE2 GLU C 138 64.533 -68.211 -2.523 1.00 27.81 O -ATOM 5613 C GLU C 138 61.758 -63.519 -4.964 1.00 8.45 C -ATOM 5614 O GLU C 138 62.698 -62.737 -5.091 1.00 8.68 O -ATOM 5615 N LEU C 139 60.747 -63.546 -5.797 1.00 8.00 N -ATOM 5616 CA LEU C 139 60.690 -62.624 -6.940 1.00 8.17 C -ATOM 5617 CB LEU C 139 59.515 -62.963 -7.859 1.00 8.95 C -ATOM 5618 CG LEU C 139 59.188 -61.861 -8.866 1.00 10.59 C -ATOM 5619 CD1 LEU C 139 60.356 -61.588 -9.799 1.00 12.50 C -ATOM 5620 CD2 LEU C 139 57.981 -62.227 -9.685 1.00 11.69 C -ATOM 5621 C LEU C 139 60.586 -61.214 -6.388 1.00 7.41 C -ATOM 5622 O LEU C 139 61.333 -60.326 -6.809 1.00 8.40 O -ATOM 5623 N VAL C 140 59.620 -60.979 -5.493 1.00 7.72 N -ATOM 5624 CA VAL C 140 59.372 -59.585 -5.050 1.00 8.07 C -ATOM 5625 CB VAL C 140 58.040 -59.375 -4.315 1.00 8.45 C -ATOM 5626 CG1 VAL C 140 56.883 -59.761 -5.230 1.00 8.70 C -ATOM 5627 CG2 VAL C 140 57.971 -60.074 -2.984 1.00 7.80 C -ATOM 5628 C VAL C 140 60.579 -59.090 -4.265 1.00 8.22 C -ATOM 5629 O VAL C 140 60.893 -57.883 -4.379 1.00 8.84 O -ATOM 5630 N ALA C 141 61.205 -59.937 -3.480 1.00 8.51 N -ATOM 5631 CA ALA C 141 62.404 -59.520 -2.722 1.00 9.52 C -ATOM 5632 CB ALA C 141 62.794 -60.614 -1.742 1.00 10.75 C -ATOM 5633 C ALA C 141 63.579 -59.222 -3.658 1.00 10.28 C -ATOM 5634 O ALA C 141 64.356 -58.261 -3.423 1.00 10.94 O -ATOM 5635 N ARG C 142 63.711 -60.000 -4.713 1.00 10.15 N -ATOM 5636 CA ARG C 142 64.840 -59.782 -5.639 1.00 10.59 C -ATOM 5637 CB ARG C 142 64.922 -60.945 -6.618 1.00 12.00 C -ATOM 5638 CG ARG C 142 65.953 -60.781 -7.720 1.00 12.72 C -ATOM 5639 CD ARG C 142 66.259 -62.142 -8.369 1.00 14.01 C -ATOM 5640 NE ARG C 142 65.035 -62.639 -8.964 1.00 15.04 N -ATOM 5641 CZ ARG C 142 64.487 -62.155 -10.064 1.00 14.23 C -ATOM 5642 NH1 ARG C 142 65.058 -61.173 -10.739 1.00 16.68 N -ATOM 5643 NH2 ARG C 142 63.339 -62.634 -10.505 1.00 16.29 N -ATOM 5644 C ARG C 142 64.633 -58.448 -6.359 1.00 9.92 C -ATOM 5645 O ARG C 142 65.618 -57.725 -6.565 1.00 11.65 O -ATOM 5646 N VAL C 143 63.410 -58.126 -6.753 1.00 9.50 N -ATOM 5647 CA VAL C 143 63.150 -56.858 -7.480 1.00 9.07 C -ATOM 5648 CB VAL C 143 61.723 -56.784 -8.046 1.00 10.44 C -ATOM 5649 CG1 VAL C 143 61.352 -55.366 -8.487 1.00 10.79 C -ATOM 5650 CG2 VAL C 143 61.559 -57.775 -9.175 1.00 10.59 C -ATOM 5651 C VAL C 143 63.389 -55.697 -6.505 1.00 8.93 C -ATOM 5652 O VAL C 143 64.118 -54.734 -6.805 1.00 9.25 O -ATOM 5653 N PHE C 144 62.735 -55.714 -5.349 1.00 9.00 N -ATOM 5654 CA PHE C 144 62.642 -54.526 -4.457 1.00 8.99 C -ATOM 5655 CB PHE C 144 61.300 -54.497 -3.720 1.00 8.83 C -ATOM 5656 CG PHE C 144 60.180 -54.164 -4.662 1.00 7.85 C -ATOM 5657 CD1 PHE C 144 60.085 -52.893 -5.197 1.00 8.83 C -ATOM 5658 CE1 PHE C 144 59.074 -52.569 -6.083 1.00 8.94 C -ATOM 5659 CZ PHE C 144 58.136 -53.489 -6.410 1.00 9.11 C -ATOM 5660 CD2 PHE C 144 59.213 -55.084 -4.991 1.00 8.45 C -ATOM 5661 CE2 PHE C 144 58.205 -54.748 -5.865 1.00 8.23 C -ATOM 5662 C PHE C 144 63.758 -54.451 -3.427 1.00 10.80 C -ATOM 5663 O PHE C 144 64.013 -53.341 -2.920 1.00 9.96 O -ATOM 5664 N GLN C 145 64.434 -55.572 -3.179 1.00 13.06 N -ATOM 5665 CA GLN C 145 65.551 -55.671 -2.199 1.00 16.45 C -ATOM 5666 CB GLN C 145 66.770 -54.995 -2.833 1.00 18.93 C -ATOM 5667 CG GLN C 145 67.112 -55.470 -4.251 1.00 23.08 C -ATOM 5668 CD GLN C 145 68.109 -56.607 -4.277 1.00 24.40 C -ATOM 5669 OE1 GLN C 145 67.818 -57.705 -4.753 1.00 28.27 O -ATOM 5670 NE2 GLN C 145 69.288 -56.358 -3.729 1.00 29.50 N -ATOM 5671 C GLN C 145 65.121 -55.035 -0.869 1.00 14.98 C -ATOM 5672 O GLN C 145 64.050 -55.398 -0.291 1.00 17.42 O -ATOM 5673 N GLY C 146 65.821 -53.986 -0.452 1.00 14.19 N -ATOM 5674 CA GLY C 146 65.568 -53.344 0.838 1.00 11.01 C -ATOM 5675 C GLY C 146 64.420 -52.359 0.819 1.00 9.05 C -ATOM 5676 O GLY C 146 64.181 -51.770 1.881 1.00 9.25 O -ATOM 5677 N LYS C 147 63.723 -52.190 -0.306 1.00 7.75 N -ATOM 5678 CA LYS C 147 62.639 -51.177 -0.299 1.00 7.52 C -ATOM 5679 CB LYS C 147 62.216 -50.775 -1.700 1.00 7.64 C -ATOM 5680 CG LYS C 147 63.303 -50.046 -2.472 1.00 7.85 C -ATOM 5681 CD LYS C 147 62.875 -49.741 -3.887 1.00 8.03 C -ATOM 5682 CE LYS C 147 63.914 -49.026 -4.724 1.00 8.88 C -ATOM 5683 NZ LYS C 147 64.215 -47.704 -4.172 1.00 9.86 N -ATOM 5684 C LYS C 147 61.396 -51.669 0.431 1.00 6.65 C -ATOM 5685 O LYS C 147 60.570 -50.802 0.767 1.00 6.95 O -ATOM 5686 N LEU C 148 61.245 -52.969 0.695 1.00 6.50 N -ATOM 5687 CA LEU C 148 59.964 -53.453 1.269 1.00 6.69 C -ATOM 5688 CB LEU C 148 59.835 -54.968 1.119 1.00 7.02 C -ATOM 5689 CG LEU C 148 59.881 -55.467 -0.330 1.00 7.63 C -ATOM 5690 CD1 LEU C 148 59.674 -56.967 -0.380 1.00 8.62 C -ATOM 5691 CD2 LEU C 148 58.880 -54.753 -1.213 1.00 8.24 C -ATOM 5692 C LEU C 148 59.825 -53.053 2.727 1.00 6.57 C -ATOM 5693 O LEU C 148 60.809 -53.051 3.492 1.00 6.85 O -ATOM 5694 N PHE C 149 58.572 -52.834 3.109 1.00 5.94 N -ATOM 5695 CA PHE C 149 58.067 -52.834 4.493 1.00 6.43 C -ATOM 5696 CB PHE C 149 57.397 -51.503 4.797 1.00 6.30 C -ATOM 5697 CG PHE C 149 56.786 -51.438 6.172 1.00 6.33 C -ATOM 5698 CD1 PHE C 149 57.575 -51.143 7.271 1.00 6.90 C -ATOM 5699 CE1 PHE C 149 57.041 -51.002 8.535 1.00 7.06 C -ATOM 5700 CZ PHE C 149 55.694 -51.230 8.722 1.00 7.12 C -ATOM 5701 CD2 PHE C 149 55.428 -51.616 6.383 1.00 6.37 C -ATOM 5702 CE2 PHE C 149 54.895 -51.525 7.656 1.00 6.85 C -ATOM 5703 C PHE C 149 57.101 -54.020 4.574 1.00 5.95 C -ATOM 5704 O PHE C 149 56.145 -54.080 3.828 1.00 6.33 O -ATOM 5705 N THR C 150 57.376 -54.954 5.455 1.00 6.61 N -ATOM 5706 CA THR C 150 56.665 -56.259 5.525 1.00 6.74 C -ATOM 5707 CB THR C 150 57.707 -57.385 5.454 1.00 7.74 C -ATOM 5708 OG1 THR C 150 58.424 -57.351 6.693 1.00 8.17 O -ATOM 5709 CG2 THR C 150 58.598 -57.246 4.236 1.00 8.14 C -ATOM 5710 C THR C 150 55.870 -56.412 6.793 1.00 5.88 C -ATOM 5711 O THR C 150 55.984 -55.620 7.718 1.00 6.17 O -ATOM 5712 N PRO C 151 55.002 -57.449 6.860 1.00 6.19 N -ATOM 5713 CA PRO C 151 54.289 -57.711 8.100 1.00 6.45 C -ATOM 5714 CB PRO C 151 53.553 -59.036 7.787 1.00 6.61 C -ATOM 5715 CG PRO C 151 53.261 -58.942 6.312 1.00 6.21 C -ATOM 5716 CD PRO C 151 54.525 -58.326 5.752 1.00 6.15 C -ATOM 5717 C PRO C 151 55.219 -57.818 9.322 1.00 5.46 C -ATOM 5718 O PRO C 151 54.848 -57.307 10.382 1.00 6.42 O -ATOM 5719 N GLN C 152 56.370 -58.477 9.198 1.00 6.21 N -ATOM 5720 CA GLN C 152 57.300 -58.557 10.340 1.00 6.67 C -ATOM 5721 CB GLN C 152 58.491 -59.447 10.002 1.00 7.41 C -ATOM 5722 CG GLN C 152 59.518 -59.476 11.118 1.00 7.73 C -ATOM 5723 CD GLN C 152 58.979 -60.104 12.366 1.00 7.96 C -ATOM 5724 OE1 GLN C 152 58.695 -61.292 12.373 1.00 8.64 O -ATOM 5725 NE2 GLN C 152 58.847 -59.330 13.439 1.00 7.94 N -ATOM 5726 C GLN C 152 57.760 -57.160 10.747 1.00 6.32 C -ATOM 5727 O GLN C 152 57.904 -56.897 11.962 1.00 5.87 O -ATOM 5728 N ASP C 153 57.993 -56.268 9.797 1.00 6.35 N -ATOM 5729 CA ASP C 153 58.447 -54.903 10.148 1.00 6.42 C -ATOM 5730 CB ASP C 153 58.786 -54.100 8.896 1.00 6.27 C -ATOM 5731 CG ASP C 153 59.912 -54.712 8.108 1.00 6.60 C -ATOM 5732 OD1 ASP C 153 60.901 -55.183 8.742 1.00 7.04 O -ATOM 5733 OD2 ASP C 153 59.881 -54.640 6.875 1.00 7.68 O -ATOM 5734 C ASP C 153 57.332 -54.221 10.934 1.00 6.51 C -ATOM 5735 O ASP C 153 57.622 -53.495 11.891 1.00 6.73 O -ATOM 5736 N LEU C 154 56.073 -54.410 10.564 1.00 6.00 N -ATOM 5737 CA LEU C 154 54.964 -53.798 11.315 1.00 6.03 C -ATOM 5738 CB LEU C 154 53.669 -53.979 10.525 1.00 5.70 C -ATOM 5739 CG LEU C 154 52.411 -53.486 11.240 1.00 5.93 C -ATOM 5740 CD1 LEU C 154 52.428 -51.964 11.484 1.00 6.38 C -ATOM 5741 CD2 LEU C 154 51.206 -53.830 10.405 1.00 5.54 C -ATOM 5742 C LEU C 154 54.845 -54.429 12.702 1.00 5.65 C -ATOM 5743 O LEU C 154 54.643 -53.727 13.679 1.00 6.14 O -ATOM 5744 N ALA C 155 54.992 -55.743 12.760 1.00 5.80 N -ATOM 5745 CA ALA C 155 54.887 -56.455 14.047 1.00 5.97 C -ATOM 5746 CB ALA C 155 55.034 -57.914 13.761 1.00 6.49 C -ATOM 5747 C ALA C 155 55.955 -55.949 15.029 1.00 5.52 C -ATOM 5748 O ALA C 155 55.647 -55.614 16.185 1.00 6.04 O -ATOM 5749 N THR C 156 57.165 -55.807 14.543 1.00 6.15 N -ATOM 5750 CA THR C 156 58.259 -55.236 15.358 1.00 7.03 C -ATOM 5751 CB THR C 156 59.575 -55.234 14.575 1.00 7.24 C -ATOM 5752 OG1 THR C 156 59.934 -56.602 14.427 1.00 7.75 O -ATOM 5753 CG2 THR C 156 60.688 -54.481 15.271 1.00 7.95 C -ATOM 5754 C THR C 156 57.883 -53.833 15.835 1.00 6.22 C -ATOM 5755 O THR C 156 58.031 -53.528 17.030 1.00 6.94 O -ATOM 5756 N HIS C 157 57.348 -53.008 14.945 1.00 6.60 N -ATOM 5757 CA HIS C 157 56.948 -51.633 15.289 1.00 6.76 C -ATOM 5758 CB HIS C 157 56.327 -50.930 14.095 1.00 7.32 C -ATOM 5759 CG HIS C 157 55.955 -49.525 14.429 1.00 7.68 C -ATOM 5760 ND1 HIS C 157 56.872 -48.508 14.642 1.00 9.81 N -ATOM 5761 CE1 HIS C 157 56.201 -47.403 14.953 1.00 9.27 C -ATOM 5762 NE2 HIS C 157 54.946 -47.666 14.960 1.00 10.13 N -ATOM 5763 CD2 HIS C 157 54.755 -48.994 14.686 1.00 8.57 C -ATOM 5764 C HIS C 157 55.979 -51.641 16.459 1.00 6.67 C -ATOM 5765 O HIS C 157 56.106 -50.785 17.366 1.00 7.15 O -ATOM 5766 N ILE C 158 55.004 -52.540 16.475 1.00 6.72 N -ATOM 5767 CA ILE C 158 53.952 -52.519 17.523 1.00 6.99 C -ATOM 5768 CB ILE C 158 52.560 -52.839 16.974 1.00 6.84 C -ATOM 5769 CG1 ILE C 158 52.400 -54.290 16.513 1.00 6.79 C -ATOM 5770 CG2 ILE C 158 52.191 -51.838 15.899 1.00 7.40 C -ATOM 5771 CD1 ILE C 158 50.963 -54.769 16.452 1.00 6.70 C -ATOM 5772 C ILE C 158 54.349 -53.433 18.688 1.00 7.32 C -ATOM 5773 O ILE C 158 53.577 -53.538 19.634 1.00 9.01 O -ATOM 5774 N GLY C 159 55.515 -54.080 18.673 1.00 7.82 N -ATOM 5775 CA GLY C 159 55.933 -54.960 19.778 1.00 8.73 C -ATOM 5776 C GLY C 159 55.268 -56.327 19.785 1.00 8.64 C -ATOM 5777 O GLY C 159 55.139 -56.897 20.902 1.00 10.28 O -ATOM 5778 N SER C 160 54.884 -56.830 18.623 1.00 7.76 N -ATOM 5779 CA SER C 160 54.071 -58.076 18.521 1.00 7.64 C -ATOM 5780 CB SER C 160 52.746 -57.749 17.850 1.00 8.65 C -ATOM 5781 OG SER C 160 51.869 -58.881 17.685 1.00 9.07 O -ATOM 5782 C SER C 160 54.848 -59.091 17.696 1.00 7.19 C -ATOM 5783 O SER C 160 55.614 -58.698 16.840 1.00 8.03 O -ATOM 5784 N GLY C 161 54.507 -60.354 17.838 1.00 6.59 N -ATOM 5785 CA GLY C 161 54.739 -61.338 16.769 1.00 6.86 C -ATOM 5786 C GLY C 161 53.895 -61.039 15.547 1.00 7.18 C -ATOM 5787 O GLY C 161 52.734 -60.553 15.680 1.00 6.83 O -ATOM 5788 N ALA C 162 54.363 -61.373 14.369 1.00 6.34 N -ATOM 5789 CA ALA C 162 53.592 -61.110 13.137 1.00 7.19 C -ATOM 5790 CB ALA C 162 54.396 -61.396 11.883 1.00 7.99 C -ATOM 5791 C ALA C 162 52.311 -61.944 13.154 1.00 6.61 C -ATOM 5792 O ALA C 162 51.281 -61.505 12.580 1.00 6.67 O -ATOM 5793 N GLY C 163 52.337 -63.136 13.763 1.00 6.08 N -ATOM 5794 CA GLY C 163 51.110 -63.946 13.791 1.00 6.09 C -ATOM 5795 C GLY C 163 50.048 -63.441 14.706 1.00 5.58 C -ATOM 5796 O GLY C 163 48.945 -64.023 14.733 1.00 5.49 O -ATOM 5797 N ALA C 164 50.310 -62.391 15.468 1.00 5.64 N -ATOM 5798 CA ALA C 164 49.348 -61.777 16.377 1.00 6.04 C -ATOM 5799 CB ALA C 164 49.891 -61.814 17.767 1.00 7.08 C -ATOM 5800 C ALA C 164 49.000 -60.372 15.916 1.00 5.55 C -ATOM 5801 O ALA C 164 48.345 -59.639 16.685 1.00 5.77 O -ATOM 5802 N LEU C 165 49.309 -59.993 14.697 1.00 5.13 N -ATOM 5803 CA LEU C 165 48.943 -58.676 14.196 1.00 5.52 C -ATOM 5804 CB LEU C 165 49.421 -58.460 12.768 1.00 5.79 C -ATOM 5805 CG LEU C 165 50.910 -58.189 12.584 1.00 6.42 C -ATOM 5806 CD1 LEU C 165 51.296 -58.348 11.133 1.00 6.83 C -ATOM 5807 CD2 LEU C 165 51.216 -56.799 13.072 1.00 6.27 C -ATOM 5808 C LEU C 165 47.439 -58.465 14.271 1.00 5.12 C -ATOM 5809 O LEU C 165 46.982 -57.365 14.559 1.00 5.37 O -ATOM 5810 N GLN C 166 46.652 -59.463 13.893 1.00 4.94 N -ATOM 5811 CA GLN C 166 45.216 -59.263 13.655 1.00 5.00 C -ATOM 5812 CB GLN C 166 44.549 -60.633 13.579 1.00 5.35 C -ATOM 5813 CG GLN C 166 43.031 -60.535 13.439 1.00 5.78 C -ATOM 5814 CD GLN C 166 42.318 -61.873 13.378 1.00 5.39 C -ATOM 5815 OE1 GLN C 166 42.689 -62.797 14.101 1.00 5.76 O -ATOM 5816 NE2 GLN C 166 41.315 -61.978 12.504 1.00 5.74 N -ATOM 5817 C GLN C 166 44.574 -58.485 14.785 1.00 5.03 C -ATOM 5818 O GLN C 166 43.880 -57.477 14.551 1.00 5.41 O -ATOM 5819 N GLY C 167 44.742 -58.951 16.017 1.00 5.46 N -ATOM 5820 CA GLY C 167 44.148 -58.337 17.203 1.00 6.19 C -ATOM 5821 C GLY C 167 45.101 -57.397 17.908 1.00 6.20 C -ATOM 5822 O GLY C 167 44.594 -56.435 18.534 1.00 6.56 O -ATOM 5823 N ASN C 168 46.414 -57.601 17.856 1.00 5.77 N -ATOM 5824 CA ASN C 168 47.315 -56.684 18.588 1.00 5.78 C -ATOM 5825 CB ASN C 168 48.715 -57.279 18.702 1.00 6.30 C -ATOM 5826 CG ASN C 168 48.813 -58.365 19.745 1.00 7.09 C -ATOM 5827 OD1 ASN C 168 47.859 -58.633 20.470 1.00 9.74 O -ATOM 5828 ND2 ASN C 168 49.940 -59.022 19.770 1.00 7.65 N -ATOM 5829 C ASN C 168 47.379 -55.326 17.901 1.00 6.12 C -ATOM 5830 O ASN C 168 47.714 -54.346 18.584 1.00 6.30 O -ATOM 5831 N LEU C 169 46.963 -55.203 16.636 1.00 6.15 N -ATOM 5832 CA LEU C 169 46.956 -53.893 15.965 1.00 5.96 C -ATOM 5833 CB LEU C 169 46.726 -54.046 14.468 1.00 5.61 C -ATOM 5834 CG LEU C 169 48.015 -54.317 13.708 1.00 5.47 C -ATOM 5835 CD1 LEU C 169 47.686 -54.825 12.328 1.00 5.60 C -ATOM 5836 CD2 LEU C 169 48.902 -53.112 13.657 1.00 5.93 C -ATOM 5837 C LEU C 169 45.866 -53.013 16.552 1.00 5.67 C -ATOM 5838 O LEU C 169 45.986 -51.780 16.446 1.00 6.09 O -ATOM 5839 N LYS C 170 44.840 -53.570 17.195 1.00 6.25 N -ATOM 5840 CA LYS C 170 43.756 -52.750 17.743 1.00 7.37 C -ATOM 5841 CB LYS C 170 42.605 -53.587 18.281 1.00 8.29 C -ATOM 5842 CG LYS C 170 41.418 -52.739 18.740 1.00 9.61 C -ATOM 5843 CD LYS C 170 40.226 -53.580 19.131 1.00 13.09 C -ATOM 5844 CE LYS C 170 40.407 -54.318 20.432 1.00 17.73 C -ATOM 5845 NZ LYS C 170 39.708 -53.616 21.517 1.00 21.17 N -ATOM 5846 C LYS C 170 44.312 -51.808 18.820 1.00 8.51 C -ATOM 5847 O LYS C 170 44.921 -52.260 19.792 1.00 9.55 O -ATOM 5848 N GLY C 171 44.120 -50.504 18.649 1.00 9.53 N -ATOM 5849 CA GLY C 171 44.657 -49.483 19.577 1.00 10.08 C -ATOM 5850 C GLY C 171 46.095 -49.097 19.269 1.00 11.01 C -ATOM 5851 O GLY C 171 46.643 -48.251 20.010 1.00 14.13 O -ATOM 5852 N LYS C 172 46.686 -49.622 18.194 1.00 9.51 N -ATOM 5853 CA LYS C 172 48.112 -49.321 17.909 1.00 10.02 C -ATOM 5854 CB LYS C 172 48.906 -50.624 17.829 1.00 10.64 C -ATOM 5855 CG LYS C 172 49.143 -51.354 19.152 1.00 14.54 C -ATOM 5856 CD LYS C 172 50.320 -50.759 19.934 1.00 17.32 C -ATOM 5857 CE LYS C 172 50.784 -51.576 21.123 1.00 20.51 C -ATOM 5858 NZ LYS C 172 51.648 -50.727 21.977 1.00 24.15 N -ATOM 5859 C LYS C 172 48.210 -48.490 16.632 1.00 8.81 C -ATOM 5860 O LYS C 172 47.324 -48.556 15.746 1.00 11.49 O -ATOM 5861 N SER C 173 49.268 -47.712 16.514 1.00 9.71 N -ATOM 5862 CA SER C 173 49.595 -46.913 15.316 1.00 9.44 C -ATOM 5863 CB SER C 173 50.096 -45.573 15.700 1.00 10.88 C -ATOM 5864 OG SER C 173 49.127 -44.877 16.432 1.00 14.66 O -ATOM 5865 C SER C 173 50.653 -47.627 14.478 1.00 9.17 C -ATOM 5866 O SER C 173 51.668 -48.113 15.034 1.00 9.71 O -ATOM 5867 N TRP C 174 50.477 -47.642 13.165 1.00 8.12 N -ATOM 5868 CA TRP C 174 51.546 -48.001 12.208 1.00 7.18 C -ATOM 5869 CB TRP C 174 50.951 -48.075 10.815 1.00 7.07 C -ATOM 5870 CG TRP C 174 50.063 -49.256 10.527 1.00 6.40 C -ATOM 5871 CD1 TRP C 174 49.010 -49.734 11.268 1.00 6.74 C -ATOM 5872 NE1 TRP C 174 48.458 -50.819 10.649 1.00 6.77 N -ATOM 5873 CE2 TRP C 174 49.117 -51.066 9.492 1.00 6.49 C -ATOM 5874 CD2 TRP C 174 50.149 -50.123 9.388 1.00 6.91 C -ATOM 5875 CE3 TRP C 174 51.014 -50.195 8.292 1.00 7.51 C -ATOM 5876 CZ3 TRP C 174 50.828 -51.214 7.390 1.00 7.49 C -ATOM 5877 CH2 TRP C 174 49.782 -52.130 7.504 1.00 7.61 C -ATOM 5878 CZ2 TRP C 174 48.946 -52.090 8.579 1.00 7.55 C -ATOM 5879 C TRP C 174 52.595 -46.905 12.250 1.00 7.09 C -ATOM 5880 O TRP C 174 52.324 -45.801 12.718 1.00 7.76 O -ATOM 5881 N PRO C 175 53.795 -47.149 11.683 1.00 6.84 N -ATOM 5882 CA PRO C 175 54.733 -46.054 11.446 1.00 6.70 C -ATOM 5883 CB PRO C 175 55.858 -46.726 10.662 1.00 7.07 C -ATOM 5884 CG PRO C 175 55.750 -48.170 11.057 1.00 7.49 C -ATOM 5885 CD PRO C 175 54.262 -48.456 11.164 1.00 7.05 C -ATOM 5886 C PRO C 175 54.035 -44.954 10.645 1.00 6.74 C -ATOM 5887 O PRO C 175 53.128 -45.194 9.872 1.00 6.75 O -ATOM 5888 N THR C 176 54.506 -43.732 10.831 1.00 7.35 N -ATOM 5889 CA THR C 176 53.967 -42.572 10.091 1.00 7.72 C -ATOM 5890 CB THR C 176 54.415 -41.255 10.733 1.00 8.15 C -ATOM 5891 OG1 THR C 176 55.838 -41.154 10.582 1.00 8.51 O -ATOM 5892 CG2 THR C 176 54.028 -41.166 12.184 1.00 8.77 C -ATOM 5893 C THR C 176 54.435 -42.598 8.637 1.00 7.84 C -ATOM 5894 O THR C 176 55.366 -43.333 8.270 1.00 7.67 O -ATOM 5895 N ALA C 177 53.784 -41.808 7.796 1.00 7.81 N -ATOM 5896 CA ALA C 177 54.240 -41.683 6.415 1.00 8.69 C -ATOM 5897 CB ALA C 177 53.368 -40.698 5.702 1.00 8.69 C -ATOM 5898 C ALA C 177 55.702 -41.235 6.397 1.00 8.67 C -ATOM 5899 O ALA C 177 56.454 -41.730 5.572 1.00 8.88 O -ATOM 5900 N ASN C 178 56.092 -40.280 7.241 1.00 9.59 N -ATOM 5901 CA ASN C 178 57.517 -39.879 7.326 1.00 10.65 C -ATOM 5902 CB ASN C 178 57.702 -38.756 8.354 1.00 13.12 C -ATOM 5903 CG ASN C 178 59.086 -38.150 8.321 1.00 16.93 C -ATOM 5904 OD1 ASN C 178 59.440 -37.516 7.327 1.00 22.90 O -ATOM 5905 ND2 ASN C 178 59.839 -38.337 9.390 1.00 23.08 N -ATOM 5906 C ASN C 178 58.405 -41.088 7.659 1.00 9.19 C -ATOM 5907 O ASN C 178 59.466 -41.263 7.022 1.00 10.43 O -ATOM 5908 N ASP C 179 58.036 -41.898 8.634 1.00 8.87 N -ATOM 5909 CA ASP C 179 58.814 -43.115 8.994 1.00 9.29 C -ATOM 5910 CB ASP C 179 58.091 -43.889 10.091 1.00 9.83 C -ATOM 5911 CG ASP C 179 58.039 -43.243 11.471 1.00 10.49 C -ATOM 5912 OD1 ASP C 179 58.884 -42.349 11.799 1.00 14.61 O -ATOM 5913 OD2 ASP C 179 57.136 -43.612 12.240 1.00 11.06 O -ATOM 5914 C ASP C 179 58.951 -44.034 7.784 1.00 8.77 C -ATOM 5915 O ASP C 179 59.958 -44.755 7.686 1.00 9.05 O -ATOM 5916 N LEU C 180 57.936 -44.007 6.916 1.00 7.89 N -ATOM 5917 CA LEU C 180 57.822 -44.924 5.753 1.00 7.37 C -ATOM 5918 CB LEU C 180 56.398 -45.443 5.583 1.00 7.31 C -ATOM 5919 CG LEU C 180 55.925 -46.318 6.735 1.00 7.36 C -ATOM 5920 CD1 LEU C 180 54.432 -46.549 6.645 1.00 7.59 C -ATOM 5921 CD2 LEU C 180 56.630 -47.657 6.745 1.00 8.17 C -ATOM 5922 C LEU C 180 58.327 -44.270 4.475 1.00 7.09 C -ATOM 5923 O LEU C 180 58.117 -44.798 3.420 1.00 7.12 O -ATOM 5924 N GLN C 181 59.128 -43.198 4.566 1.00 8.10 N -ATOM 5925 CA GLN C 181 59.733 -42.617 3.346 1.00 8.70 C -ATOM 5926 CB GLN C 181 60.701 -41.480 3.663 1.00 10.20 C -ATOM 5927 CG GLN C 181 60.029 -40.153 3.948 1.00 12.08 C -ATOM 5928 CD GLN C 181 61.061 -39.079 4.181 1.00 14.18 C -ATOM 5929 OE1 GLN C 181 61.921 -38.840 3.330 1.00 16.41 O -ATOM 5930 NE2 GLN C 181 60.991 -38.455 5.348 1.00 17.27 N -ATOM 5931 C GLN C 181 60.501 -43.692 2.577 1.00 7.80 C -ATOM 5932 O GLN C 181 61.283 -44.464 3.165 1.00 8.26 O -ATOM 5933 N GLY C 182 60.273 -43.712 1.288 1.00 7.28 N -ATOM 5934 CA GLY C 182 61.006 -44.616 0.391 1.00 7.14 C -ATOM 5935 C GLY C 182 60.579 -46.063 0.470 1.00 7.09 C -ATOM 5936 O GLY C 182 61.171 -46.889 -0.172 1.00 7.81 O -ATOM 5937 N LYS C 183 59.534 -46.396 1.225 1.00 6.84 N -ATOM 5938 CA LYS C 183 59.105 -47.792 1.373 1.00 6.82 C -ATOM 5939 CB LYS C 183 58.527 -48.056 2.755 1.00 6.98 C -ATOM 5940 CG LYS C 183 59.477 -47.735 3.902 1.00 7.22 C -ATOM 5941 CD LYS C 183 60.868 -48.247 3.719 1.00 7.19 C -ATOM 5942 CE LYS C 183 60.916 -49.758 3.731 1.00 6.86 C -ATOM 5943 NZ LYS C 183 62.227 -50.286 3.300 1.00 7.25 N -ATOM 5944 C LYS C 183 58.112 -48.215 0.291 1.00 6.53 C -ATOM 5945 O LYS C 183 57.376 -47.371 -0.246 1.00 6.80 O -ATOM 5946 N VAL C 184 58.094 -49.516 0.062 1.00 6.45 N -ATOM 5947 CA VAL C 184 57.079 -50.178 -0.804 1.00 6.75 C -ATOM 5948 CB VAL C 184 57.738 -50.802 -2.041 1.00 6.63 C -ATOM 5949 CG1 VAL C 184 56.761 -51.627 -2.828 1.00 7.58 C -ATOM 5950 CG2 VAL C 184 58.414 -49.744 -2.908 1.00 7.01 C -ATOM 5951 C VAL C 184 56.391 -51.244 0.044 1.00 6.29 C -ATOM 5952 O VAL C 184 57.066 -52.042 0.691 1.00 6.42 O -ATOM 5953 N LEU C 185 55.070 -51.199 0.054 1.00 6.40 N -ATOM 5954 CA LEU C 185 54.232 -52.201 0.772 1.00 6.23 C -ATOM 5955 CB LEU C 185 53.200 -51.495 1.643 1.00 6.42 C -ATOM 5956 CG LEU C 185 53.728 -50.903 2.944 1.00 6.95 C -ATOM 5957 CD1 LEU C 185 54.525 -49.622 2.748 1.00 8.83 C -ATOM 5958 CD2 LEU C 185 52.574 -50.606 3.909 1.00 8.62 C -ATOM 5959 C LEU C 185 53.527 -53.022 -0.277 1.00 6.39 C -ATOM 5960 O LEU C 185 52.839 -52.433 -1.166 1.00 7.70 O -ATOM 5961 N LEU C 186 53.660 -54.339 -0.211 1.00 5.68 N -ATOM 5962 CA LEU C 186 52.998 -55.251 -1.149 1.00 6.35 C -ATOM 5963 CB LEU C 186 54.005 -56.314 -1.563 1.00 6.73 C -ATOM 5964 CG LEU C 186 55.291 -55.776 -2.214 1.00 7.97 C -ATOM 5965 CD1 LEU C 186 56.158 -56.983 -2.613 1.00 8.67 C -ATOM 5966 CD2 LEU C 186 55.001 -54.861 -3.413 1.00 8.30 C -ATOM 5967 C LEU C 186 51.794 -55.877 -0.476 1.00 5.73 C -ATOM 5968 O LEU C 186 51.910 -56.294 0.699 1.00 6.12 O -ATOM 5969 N VAL C 187 50.717 -56.010 -1.200 1.00 5.50 N -ATOM 5970 CA VAL C 187 49.446 -56.538 -0.653 1.00 6.05 C -ATOM 5971 CB VAL C 187 48.409 -55.416 -0.530 1.00 6.29 C -ATOM 5972 CG1 VAL C 187 47.133 -55.888 0.119 1.00 7.05 C -ATOM 5973 CG2 VAL C 187 48.969 -54.211 0.216 1.00 6.32 C -ATOM 5974 C VAL C 187 48.928 -57.633 -1.565 1.00 6.14 C -ATOM 5975 O VAL C 187 48.900 -57.439 -2.785 1.00 8.67 O -ATOM 5976 N LEU C 188 48.547 -58.773 -1.030 1.00 5.93 N -ATOM 5977 CA LEU C 188 47.981 -59.881 -1.805 1.00 6.36 C -ATOM 5978 CB LEU C 188 48.515 -61.204 -1.274 1.00 6.74 C -ATOM 5979 CG LEU C 188 48.150 -62.428 -2.117 1.00 7.13 C -ATOM 5980 CD1 LEU C 188 48.759 -62.385 -3.544 1.00 7.35 C -ATOM 5981 CD2 LEU C 188 48.598 -63.718 -1.426 1.00 8.24 C -ATOM 5982 C LEU C 188 46.475 -59.838 -1.730 1.00 6.14 C -ATOM 5983 O LEU C 188 45.910 -59.811 -0.609 1.00 7.02 O -ATOM 5984 N ASN C 189 45.829 -59.846 -2.892 1.00 6.19 N -ATOM 5985 CA ASN C 189 44.381 -60.104 -3.001 1.00 6.56 C -ATOM 5986 CB ASN C 189 43.656 -58.940 -3.671 1.00 7.50 C -ATOM 5987 CG ASN C 189 43.593 -57.654 -2.866 1.00 7.69 C -ATOM 5988 OD1 ASN C 189 43.980 -57.574 -1.693 1.00 10.97 O -ATOM 5989 ND2 ASN C 189 43.117 -56.609 -3.488 1.00 7.43 N -ATOM 5990 C ASN C 189 44.159 -61.349 -3.843 1.00 6.75 C -ATOM 5991 O ASN C 189 45.008 -61.739 -4.663 1.00 6.72 O -ATOM 5992 N HIS C 190 42.991 -61.945 -3.672 1.00 7.28 N -ATOM 5993 CA HIS C 190 42.507 -63.067 -4.496 1.00 7.91 C -ATOM 5994 CB HIS C 190 43.224 -64.391 -4.135 1.00 8.54 C -ATOM 5995 CG HIS C 190 42.909 -65.520 -5.052 1.00 8.74 C -ATOM 5996 ND1 HIS C 190 41.731 -66.224 -5.030 1.00 8.56 N -ATOM 5997 CE1 HIS C 190 41.773 -67.130 -5.989 1.00 9.06 C -ATOM 5998 NE2 HIS C 190 42.914 -67.028 -6.625 1.00 9.60 N -ATOM 5999 CD2 HIS C 190 43.646 -66.034 -6.071 1.00 9.69 C -ATOM 6000 C HIS C 190 40.998 -63.119 -4.257 1.00 7.77 C -ATOM 6001 O HIS C 190 40.550 -62.718 -3.185 1.00 8.84 O -ATOM 6002 N SER C 191 40.232 -63.655 -5.196 1.00 8.30 N -ATOM 6003 CA SER C 191 38.790 -63.785 -4.968 1.00 8.66 C -ATOM 6004 CB SER C 191 38.078 -64.246 -6.222 1.00 10.21 C -ATOM 6005 OG SER C 191 38.405 -65.565 -6.581 1.00 15.42 O -ATOM 6006 C SER C 191 38.547 -64.733 -3.789 1.00 8.21 C -ATOM 6007 O SER C 191 37.446 -64.661 -3.224 1.00 8.70 O -ATOM 6008 N GLU C 192 39.429 -65.692 -3.551 1.00 7.71 N -ATOM 6009 CA GLU C 192 39.189 -66.722 -2.538 1.00 8.01 C -ATOM 6010 CB GLU C 192 39.385 -68.102 -3.153 1.00 9.78 C -ATOM 6011 CG GLU C 192 38.427 -68.445 -4.290 1.00 12.08 C -ATOM 6012 CD GLU C 192 38.858 -69.711 -4.993 1.00 15.09 C -ATOM 6013 OE1 GLU C 192 39.189 -70.656 -4.314 1.00 17.28 O -ATOM 6014 OE2 GLU C 192 38.957 -69.683 -6.227 1.00 22.06 O -ATOM 6015 C GLU C 192 40.192 -66.558 -1.405 1.00 6.90 C -ATOM 6016 O GLU C 192 41.420 -66.716 -1.610 1.00 7.57 O -ATOM 6017 N ASN C 193 39.682 -66.364 -0.215 1.00 6.36 N -ATOM 6018 CA ASN C 193 40.537 -66.207 0.970 1.00 6.28 C -ATOM 6019 CB ASN C 193 39.700 -65.899 2.194 1.00 6.30 C -ATOM 6020 CG ASN C 193 39.158 -64.505 2.175 1.00 6.59 C -ATOM 6021 OD1 ASN C 193 39.599 -63.666 1.382 1.00 7.17 O -ATOM 6022 ND2 ASN C 193 38.220 -64.224 3.056 1.00 6.59 N -ATOM 6023 C ASN C 193 41.390 -67.462 1.218 1.00 6.18 C -ATOM 6024 O ASN C 193 42.437 -67.342 1.821 1.00 6.23 O -ATOM 6025 N GLN C 194 40.943 -68.634 0.778 1.00 6.65 N -ATOM 6026 CA GLN C 194 41.766 -69.844 0.948 1.00 7.66 C -ATOM 6027 CB GLN C 194 41.005 -71.050 0.381 1.00 11.00 C -ATOM 6028 CG GLN C 194 41.702 -72.404 0.434 1.00 15.20 C -ATOM 6029 CD GLN C 194 40.883 -73.503 -0.203 1.00 20.68 C -ATOM 6030 OE1 GLN C 194 39.674 -73.395 -0.351 1.00 21.61 O -ATOM 6031 NE2 GLN C 194 41.553 -74.577 -0.597 1.00 26.64 N -ATOM 6032 C GLN C 194 43.132 -69.649 0.309 1.00 7.10 C -ATOM 6033 O GLN C 194 44.105 -70.215 0.849 1.00 7.12 O -ATOM 6034 N LYS C 195 43.234 -68.928 -0.794 1.00 6.96 N -ATOM 6035 CA LYS C 195 44.566 -68.744 -1.424 1.00 7.00 C -ATOM 6036 CB LYS C 195 44.448 -68.136 -2.825 1.00 8.65 C -ATOM 6037 CG LYS C 195 44.242 -69.176 -3.919 1.00 9.89 C -ATOM 6038 CD LYS C 195 43.019 -70.041 -3.784 1.00 10.47 C -ATOM 6039 CE LYS C 195 42.861 -70.891 -5.027 1.00 12.86 C -ATOM 6040 NZ LYS C 195 41.808 -71.909 -4.865 1.00 14.20 N -ATOM 6041 C LYS C 195 45.448 -67.879 -0.532 1.00 6.45 C -ATOM 6042 O LYS C 195 46.689 -68.077 -0.521 1.00 7.15 O -ATOM 6043 N LEU C 196 44.873 -66.906 0.158 1.00 6.25 N -ATOM 6044 CA LEU C 196 45.647 -66.100 1.119 1.00 6.40 C -ATOM 6045 CB LEU C 196 44.848 -64.873 1.566 1.00 7.30 C -ATOM 6046 CG LEU C 196 44.887 -63.638 0.648 1.00 9.25 C -ATOM 6047 CD1 LEU C 196 44.669 -63.870 -0.837 1.00 10.87 C -ATOM 6048 CD2 LEU C 196 43.910 -62.580 1.155 1.00 9.74 C -ATOM 6049 C LEU C 196 46.063 -66.974 2.290 1.00 6.19 C -ATOM 6050 O LEU C 196 47.173 -66.775 2.828 1.00 6.73 O -ATOM 6051 N SER C 197 45.184 -67.870 2.724 1.00 5.83 N -ATOM 6052 CA SER C 197 45.484 -68.730 3.884 1.00 6.07 C -ATOM 6053 CB SER C 197 44.288 -69.533 4.301 1.00 6.31 C -ATOM 6054 OG SER C 197 44.483 -70.101 5.564 1.00 6.84 O -ATOM 6055 C SER C 197 46.664 -69.622 3.525 1.00 6.06 C -ATOM 6056 O SER C 197 47.531 -69.860 4.333 1.00 6.60 O -ATOM 6057 N GLN C 198 46.667 -70.112 2.302 1.00 6.14 N -ATOM 6058 CA GLN C 198 47.758 -71.000 1.824 1.00 6.72 C -ATOM 6059 CB GLN C 198 47.429 -71.560 0.439 1.00 7.42 C -ATOM 6060 CG GLN C 198 46.262 -72.535 0.461 1.00 9.25 C -ATOM 6061 CD GLN C 198 45.543 -72.629 -0.858 1.00 11.05 C -ATOM 6062 OE1 GLN C 198 45.985 -72.180 -1.895 1.00 12.41 O -ATOM 6063 NE2 GLN C 198 44.409 -73.309 -0.864 1.00 14.38 N -ATOM 6064 C GLN C 198 49.064 -70.218 1.814 1.00 5.83 C -ATOM 6065 O GLN C 198 50.102 -70.748 2.255 1.00 6.46 O -ATOM 6066 N TYR C 199 49.050 -68.980 1.357 1.00 5.66 N -ATOM 6067 CA TYR C 199 50.269 -68.143 1.367 1.00 6.30 C -ATOM 6068 CB TYR C 199 49.971 -66.812 0.691 1.00 6.26 C -ATOM 6069 CG TYR C 199 51.095 -65.809 0.758 1.00 5.98 C -ATOM 6070 CD1 TYR C 199 52.178 -65.865 -0.109 1.00 6.06 C -ATOM 6071 CE1 TYR C 199 53.240 -64.985 0.017 1.00 6.08 C -ATOM 6072 CZ TYR C 199 53.245 -64.062 1.048 1.00 6.12 C -ATOM 6073 OH TYR C 199 54.298 -63.206 1.215 1.00 6.83 O -ATOM 6074 CE2 TYR C 199 52.178 -64.016 1.926 1.00 6.67 C -ATOM 6075 CD2 TYR C 199 51.134 -64.896 1.792 1.00 6.55 C -ATOM 6076 C TYR C 199 50.778 -67.973 2.799 1.00 6.04 C -ATOM 6077 O TYR C 199 51.955 -68.165 3.042 1.00 6.41 O -ATOM 6078 N ALA C 200 49.900 -67.579 3.722 1.00 5.88 N -ATOM 6079 CA ALA C 200 50.335 -67.282 5.106 1.00 6.04 C -ATOM 6080 CB ALA C 200 49.208 -66.647 5.896 1.00 6.64 C -ATOM 6081 C ALA C 200 50.819 -68.549 5.820 1.00 6.32 C -ATOM 6082 O ALA C 200 51.780 -68.452 6.576 1.00 6.97 O -ATOM 6083 N GLU C 201 50.168 -69.690 5.588 1.00 6.68 N -ATOM 6084 CA GLU C 201 50.648 -70.943 6.201 1.00 6.88 C -ATOM 6085 CB GLU C 201 49.667 -72.097 5.973 1.00 7.24 C -ATOM 6086 CG GLU C 201 50.127 -73.363 6.677 1.00 8.47 C -ATOM 6087 CD GLU C 201 49.110 -74.486 6.693 1.00 8.66 C -ATOM 6088 OE1 GLU C 201 47.977 -74.282 6.183 1.00 9.97 O -ATOM 6089 OE2 GLU C 201 49.409 -75.610 7.188 1.00 8.93 O -ATOM 6090 C GLU C 201 52.046 -71.262 5.675 1.00 6.36 C -ATOM 6091 O GLU C 201 52.869 -71.784 6.414 1.00 6.43 O -ATOM 6092 N ALA C 202 52.291 -71.003 4.408 1.00 6.40 N -ATOM 6093 CA ALA C 202 53.607 -71.288 3.815 1.00 6.50 C -ATOM 6094 CB ALA C 202 53.502 -71.212 2.305 1.00 6.89 C -ATOM 6095 C ALA C 202 54.662 -70.317 4.321 1.00 6.73 C -ATOM 6096 O ALA C 202 55.789 -70.790 4.576 1.00 8.30 O -ATOM 6097 N ARG C 203 54.380 -69.043 4.413 1.00 6.60 N -ATOM 6098 CA ARG C 203 55.446 -68.045 4.621 1.00 6.60 C -ATOM 6099 CB ARG C 203 55.180 -66.849 3.676 1.00 6.59 C -ATOM 6100 CG ARG C 203 55.169 -67.173 2.188 1.00 7.63 C -ATOM 6101 CD ARG C 203 56.320 -68.068 1.751 1.00 8.44 C -ATOM 6102 NE ARG C 203 57.609 -67.484 2.078 1.00 9.76 N -ATOM 6103 CZ ARG C 203 58.635 -68.154 2.649 1.00 11.28 C -ATOM 6104 NH1 ARG C 203 58.591 -69.453 2.888 1.00 12.78 N -ATOM 6105 NH2 ARG C 203 59.735 -67.482 2.948 1.00 11.61 N -ATOM 6106 C ARG C 203 55.502 -67.551 6.066 1.00 7.08 C -ATOM 6107 O ARG C 203 56.544 -66.991 6.426 1.00 7.06 O -ATOM 6108 N THR C 204 54.411 -67.644 6.811 1.00 6.87 N -ATOM 6109 CA THR C 204 54.334 -67.179 8.213 1.00 7.80 C -ATOM 6110 CB THR C 204 54.733 -68.314 9.192 1.00 8.75 C -ATOM 6111 OG1 THR C 204 56.107 -68.627 8.989 1.00 9.54 O -ATOM 6112 CG2 THR C 204 53.829 -69.543 9.087 1.00 9.46 C -ATOM 6113 C THR C 204 55.015 -65.803 8.354 1.00 7.15 C -ATOM 6114 O THR C 204 54.708 -64.883 7.605 1.00 7.62 O -ATOM 6115 N SER C 205 55.868 -65.633 9.355 1.00 8.14 N -ATOM 6116 CA SER C 205 56.444 -64.301 9.648 1.00 9.23 C -ATOM 6117 CB SER C 205 57.032 -64.314 11.031 1.00 9.77 C -ATOM 6118 OG SER C 205 56.019 -64.369 11.999 1.00 12.67 O -ATOM 6119 C SER C 205 57.478 -63.860 8.609 1.00 8.45 C -ATOM 6120 O SER C 205 57.922 -62.743 8.675 1.00 9.44 O -ATOM 6121 N LYS C 206 57.928 -64.765 7.749 1.00 8.28 N -ATOM 6122 CA LYS C 206 58.882 -64.423 6.672 1.00 9.03 C -ATOM 6123 CB LYS C 206 59.557 -65.696 6.184 1.00 10.44 C -ATOM 6124 CG LYS C 206 60.320 -66.469 7.260 1.00 12.00 C -ATOM 6125 CD LYS C 206 60.554 -67.928 6.931 1.00 14.26 C -ATOM 6126 CE LYS C 206 59.276 -68.729 7.082 1.00 15.94 C -ATOM 6127 NZ LYS C 206 59.563 -70.187 7.143 1.00 15.62 N -ATOM 6128 C LYS C 206 58.172 -63.725 5.501 1.00 7.68 C -ATOM 6129 O LYS C 206 58.874 -63.260 4.602 1.00 8.67 O -ATOM 6130 N ALA C 207 56.837 -63.696 5.487 1.00 6.31 N -ATOM 6131 CA ALA C 207 56.102 -63.199 4.330 1.00 6.57 C -ATOM 6132 CB ALA C 207 54.636 -63.126 4.680 1.00 6.77 C -ATOM 6133 C ALA C 207 56.628 -61.836 3.906 1.00 6.66 C -ATOM 6134 O ALA C 207 56.739 -60.907 4.707 1.00 7.88 O -ATOM 6135 N LYS C 208 56.809 -61.664 2.611 1.00 6.19 N -ATOM 6136 CA LYS C 208 57.157 -60.335 2.052 1.00 6.84 C -ATOM 6137 CB LYS C 208 57.967 -60.546 0.780 1.00 7.79 C -ATOM 6138 CG LYS C 208 59.304 -61.229 1.034 1.00 8.40 C -ATOM 6139 CD LYS C 208 60.220 -60.472 1.963 1.00 10.16 C -ATOM 6140 CE LYS C 208 61.604 -61.099 2.092 1.00 11.38 C -ATOM 6141 NZ LYS C 208 62.424 -60.446 3.130 1.00 14.35 N -ATOM 6142 C LYS C 208 55.913 -59.502 1.799 1.00 6.19 C -ATOM 6143 O LYS C 208 56.096 -58.303 1.472 1.00 7.35 O -ATOM 6144 N VAL C 209 54.750 -60.113 1.785 1.00 5.69 N -ATOM 6145 CA VAL C 209 53.524 -59.450 1.327 1.00 6.50 C -ATOM 6146 CB VAL C 209 53.059 -60.179 0.071 1.00 7.75 C -ATOM 6147 CG1 VAL C 209 51.832 -59.603 -0.580 1.00 8.82 C -ATOM 6148 CG2 VAL C 209 54.158 -60.256 -0.966 1.00 8.43 C -ATOM 6149 C VAL C 209 52.474 -59.530 2.421 1.00 5.62 C -ATOM 6150 O VAL C 209 52.372 -60.561 3.106 1.00 6.87 O -ATOM 6151 N PHE C 210 51.723 -58.445 2.583 1.00 5.42 N -ATOM 6152 CA PHE C 210 50.563 -58.409 3.492 1.00 5.63 C -ATOM 6153 CB PHE C 210 50.135 -56.954 3.714 1.00 5.87 C -ATOM 6154 CG PHE C 210 51.089 -56.187 4.572 1.00 5.52 C -ATOM 6155 CD1 PHE C 210 52.186 -55.534 4.029 1.00 5.80 C -ATOM 6156 CE1 PHE C 210 53.062 -54.830 4.842 1.00 6.34 C -ATOM 6157 CZ PHE C 210 52.812 -54.746 6.195 1.00 6.11 C -ATOM 6158 CD2 PHE C 210 50.868 -56.090 5.929 1.00 6.21 C -ATOM 6159 CE2 PHE C 210 51.729 -55.368 6.733 1.00 6.65 C -ATOM 6160 C PHE C 210 49.374 -59.112 2.842 1.00 5.71 C -ATOM 6161 O PHE C 210 48.994 -58.748 1.721 1.00 7.84 O -ATOM 6162 N ILE C 211 48.726 -60.039 3.539 1.00 5.77 N -ATOM 6163 CA ILE C 211 47.466 -60.597 3.013 1.00 5.70 C -ATOM 6164 CB ILE C 211 47.199 -62.037 3.502 1.00 5.96 C -ATOM 6165 CG1 ILE C 211 47.108 -62.177 5.022 1.00 6.75 C -ATOM 6166 CG2 ILE C 211 48.253 -62.961 2.918 1.00 6.38 C -ATOM 6167 CD1 ILE C 211 46.494 -63.509 5.442 1.00 7.54 C -ATOM 6168 C ILE C 211 46.311 -59.647 3.340 1.00 5.90 C -ATOM 6169 O ILE C 211 46.246 -59.111 4.454 1.00 6.32 O -ATOM 6170 N SER C 212 45.378 -59.515 2.421 1.00 5.69 N -ATOM 6171 CA SER C 212 44.199 -58.661 2.626 1.00 5.53 C -ATOM 6172 CB SER C 212 44.372 -57.371 1.884 1.00 5.98 C -ATOM 6173 OG SER C 212 43.298 -56.523 2.207 1.00 6.50 O -ATOM 6174 C SER C 212 42.973 -59.414 2.193 1.00 5.63 C -ATOM 6175 O SER C 212 42.623 -59.389 1.016 1.00 5.97 O -ATOM 6176 N PRO C 213 42.303 -60.120 3.112 1.00 5.57 N -ATOM 6177 CA PRO C 213 41.195 -60.981 2.713 1.00 5.80 C -ATOM 6178 CB PRO C 213 40.922 -61.757 3.980 1.00 6.95 C -ATOM 6179 CG PRO C 213 41.453 -60.972 5.098 1.00 7.60 C -ATOM 6180 CD PRO C 213 42.646 -60.230 4.549 1.00 6.20 C -ATOM 6181 C PRO C 213 39.960 -60.204 2.278 1.00 5.72 C -ATOM 6182 O PRO C 213 39.711 -59.094 2.743 1.00 5.94 O -ATOM 6183 N VAL C 214 39.192 -60.867 1.429 1.00 5.68 N -ATOM 6184 CA VAL C 214 37.811 -60.441 1.113 1.00 6.05 C -ATOM 6185 CB VAL C 214 37.157 -61.461 0.179 1.00 7.00 C -ATOM 6186 CG1 VAL C 214 35.673 -61.174 -0.010 1.00 7.42 C -ATOM 6187 CG2 VAL C 214 37.845 -61.515 -1.176 1.00 7.66 C -ATOM 6188 C VAL C 214 37.043 -60.362 2.424 1.00 5.67 C -ATOM 6189 O VAL C 214 37.057 -61.312 3.211 1.00 6.39 O -ATOM 6190 N THR C 215 36.433 -59.231 2.663 1.00 5.35 N -ATOM 6191 CA THR C 215 35.801 -58.881 3.946 1.00 5.79 C -ATOM 6192 CB THR C 215 36.607 -57.736 4.533 1.00 6.15 C -ATOM 6193 OG1 THR C 215 37.949 -58.132 4.740 1.00 6.50 O -ATOM 6194 CG2 THR C 215 36.057 -57.213 5.822 1.00 6.40 C -ATOM 6195 C THR C 215 34.341 -58.545 3.756 1.00 6.12 C -ATOM 6196 O THR C 215 34.022 -57.580 3.058 1.00 6.63 O -ATOM 6197 N ASN C 216 33.496 -59.332 4.404 1.00 6.14 N -ATOM 6198 CA ASN C 216 32.046 -59.055 4.303 1.00 6.67 C -ATOM 6199 CB ASN C 216 31.366 -59.784 3.150 1.00 7.41 C -ATOM 6200 CG ASN C 216 31.652 -61.242 3.187 1.00 8.27 C -ATOM 6201 OD1 ASN C 216 31.693 -61.862 4.213 1.00 9.36 O -ATOM 6202 ND2 ASN C 216 31.863 -61.789 2.020 1.00 10.67 N -ATOM 6203 C ASN C 216 31.392 -59.363 5.650 1.00 6.69 C -ATOM 6204 O ASN C 216 30.140 -59.412 5.731 1.00 9.09 O -ATOM 6205 N GLY C 217 32.148 -59.350 6.717 1.00 6.86 N -ATOM 6206 CA GLY C 217 31.619 -59.500 8.077 1.00 6.30 C -ATOM 6207 C GLY C 217 32.709 -59.210 9.071 1.00 6.39 C -ATOM 6208 O GLY C 217 33.924 -59.247 8.732 1.00 6.49 O -ATOM 6209 N GLN C 218 32.334 -59.018 10.318 1.00 6.31 N -ATOM 6210 CA GLN C 218 33.265 -58.660 11.397 1.00 6.33 C -ATOM 6211 CB GLN C 218 32.510 -58.540 12.712 1.00 5.96 C -ATOM 6212 CG GLN C 218 33.423 -58.143 13.869 1.00 6.53 C -ATOM 6213 CD GLN C 218 33.841 -56.692 13.815 1.00 5.55 C -ATOM 6214 OE1 GLN C 218 33.007 -55.793 13.675 1.00 6.81 O -ATOM 6215 NE2 GLN C 218 35.113 -56.393 14.020 1.00 6.69 N -ATOM 6216 C GLN C 218 34.341 -59.737 11.538 1.00 6.22 C -ATOM 6217 O GLN C 218 35.527 -59.377 11.720 1.00 5.49 O -ATOM 6218 N ASN C 219 33.973 -60.999 11.429 1.00 5.73 N -ATOM 6219 CA ASN C 219 34.959 -62.072 11.631 1.00 6.04 C -ATOM 6220 CB ASN C 219 34.348 -63.470 11.645 1.00 6.40 C -ATOM 6221 CG ASN C 219 33.795 -63.901 10.297 1.00 6.90 C -ATOM 6222 OD1 ASN C 219 32.768 -63.388 9.841 1.00 7.31 O -ATOM 6223 ND2 ASN C 219 34.500 -64.785 9.624 1.00 6.95 N -ATOM 6224 C ASN C 219 36.081 -62.034 10.581 1.00 6.01 C -ATOM 6225 O ASN C 219 37.153 -62.591 10.859 1.00 5.81 O -ATOM 6226 N ASP C 220 35.850 -61.403 9.433 1.00 5.09 N -ATOM 6227 CA ASP C 220 36.895 -61.303 8.417 1.00 5.31 C -ATOM 6228 CB ASP C 220 36.329 -60.972 7.038 1.00 5.86 C -ATOM 6229 CG ASP C 220 35.370 -62.033 6.510 1.00 5.94 C -ATOM 6230 OD1 ASP C 220 35.603 -63.218 6.825 1.00 6.26 O -ATOM 6231 OD2 ASP C 220 34.397 -61.661 5.819 1.00 6.05 O -ATOM 6232 C ASP C 220 37.950 -60.282 8.817 1.00 5.52 C -ATOM 6233 O ASP C 220 39.052 -60.246 8.198 1.00 6.06 O -ATOM 6234 N ILE C 221 37.663 -59.425 9.788 1.00 5.52 N -ATOM 6235 CA ILE C 221 38.620 -58.442 10.354 1.00 5.91 C -ATOM 6236 CB ILE C 221 37.907 -57.134 10.687 1.00 7.40 C -ATOM 6237 CG1 ILE C 221 37.392 -56.532 9.376 1.00 8.93 C -ATOM 6238 CG2 ILE C 221 38.864 -56.176 11.409 1.00 7.19 C -ATOM 6239 CD1 ILE C 221 36.406 -55.423 9.466 1.00 11.00 C -ATOM 6240 C ILE C 221 39.275 -59.065 11.571 1.00 5.58 C -ATOM 6241 O ILE C 221 40.525 -59.139 11.631 1.00 5.70 O -ATOM 6242 N SER C 222 38.462 -59.512 12.521 1.00 5.23 N -ATOM 6243 CA SER C 222 38.934 -59.767 13.903 1.00 5.32 C -ATOM 6244 CB SER C 222 38.274 -58.778 14.829 1.00 5.52 C -ATOM 6245 OG SER C 222 36.854 -58.738 14.590 1.00 6.12 O -ATOM 6246 C SER C 222 38.714 -61.204 14.367 1.00 5.49 C -ATOM 6247 O SER C 222 39.086 -61.498 15.508 1.00 6.55 O -ATOM 6248 N GLY C 223 38.070 -62.036 13.576 1.00 4.91 N -ATOM 6249 CA GLY C 223 37.729 -63.387 14.014 1.00 5.56 C -ATOM 6250 C GLY C 223 38.495 -64.423 13.228 1.00 5.40 C -ATOM 6251 O GLY C 223 39.605 -64.167 12.693 1.00 5.91 O -ATOM 6252 N LYS C 224 37.952 -65.630 13.138 1.00 5.51 N -ATOM 6253 CA LYS C 224 38.490 -66.623 12.200 1.00 5.79 C -ATOM 6254 CB LYS C 224 38.141 -68.042 12.592 1.00 5.98 C -ATOM 6255 CG LYS C 224 38.799 -69.073 11.687 1.00 7.12 C -ATOM 6256 CD LYS C 224 38.601 -70.465 12.163 1.00 8.62 C -ATOM 6257 CE LYS C 224 39.316 -71.538 11.352 1.00 9.89 C -ATOM 6258 NZ LYS C 224 38.580 -72.811 11.207 1.00 13.84 N -ATOM 6259 C LYS C 224 37.953 -66.243 10.832 1.00 5.25 C -ATOM 6260 O LYS C 224 36.735 -66.265 10.572 1.00 5.98 O -ATOM 6261 N VAL C 225 38.845 -65.758 9.979 1.00 5.35 N -ATOM 6262 CA VAL C 225 38.451 -65.156 8.694 1.00 5.37 C -ATOM 6263 CB VAL C 225 39.676 -64.533 8.036 1.00 5.45 C -ATOM 6264 CG1 VAL C 225 39.392 -64.047 6.627 1.00 5.71 C -ATOM 6265 CG2 VAL C 225 40.294 -63.466 8.921 1.00 6.00 C -ATOM 6266 C VAL C 225 37.821 -66.244 7.798 1.00 5.53 C -ATOM 6267 O VAL C 225 38.310 -67.375 7.774 1.00 5.79 O -ATOM 6268 N SER C 226 36.769 -65.881 7.080 1.00 6.13 N -ATOM 6269 CA SER C 226 36.114 -66.794 6.121 1.00 6.02 C -ATOM 6270 CB SER C 226 35.120 -66.050 5.288 1.00 6.92 C -ATOM 6271 OG SER C 226 34.184 -65.312 6.064 1.00 7.57 O -ATOM 6272 C SER C 226 37.157 -67.419 5.220 1.00 5.96 C -ATOM 6273 O SER C 226 37.968 -66.701 4.628 1.00 6.60 O -ATOM 6274 N GLY C 227 37.151 -68.733 5.069 1.00 6.73 N -ATOM 6275 CA GLY C 227 38.075 -69.374 4.134 1.00 6.96 C -ATOM 6276 C GLY C 227 39.492 -69.564 4.629 1.00 7.32 C -ATOM 6277 O GLY C 227 40.330 -70.046 3.810 1.00 7.79 O -ATOM 6278 N MET C 228 39.810 -69.199 5.863 1.00 6.60 N -ATOM 6279 CA MET C 228 41.199 -69.218 6.330 1.00 6.34 C -ATOM 6280 CB MET C 228 41.754 -67.820 6.532 1.00 6.45 C -ATOM 6281 CG MET C 228 41.620 -66.934 5.328 1.00 6.25 C -ATOM 6282 SD MET C 228 43.016 -65.839 5.026 1.00 6.63 S -ATOM 6283 CE MET C 228 43.125 -65.019 6.606 1.00 7.26 C -ATOM 6284 C MET C 228 41.255 -69.999 7.625 1.00 6.45 C -ATOM 6285 O MET C 228 40.244 -70.193 8.341 1.00 7.43 O -ATOM 6286 N SER C 229 42.455 -70.449 7.940 1.00 5.80 N -ATOM 6287 CA SER C 229 42.765 -71.061 9.232 1.00 5.77 C -ATOM 6288 CB SER C 229 44.061 -71.808 9.134 1.00 5.87 C -ATOM 6289 OG SER C 229 45.105 -70.896 8.827 1.00 6.26 O -ATOM 6290 C SER C 229 42.876 -70.018 10.333 1.00 5.58 C -ATOM 6291 O SER C 229 42.986 -68.770 10.061 1.00 5.48 O -ATOM 6292 N SER C 230 42.935 -70.442 11.577 1.00 6.29 N -ATOM 6293 CA SER C 230 43.285 -69.538 12.707 1.00 6.08 C -ATOM 6294 CB SER C 230 43.207 -70.297 14.012 1.00 6.45 C -ATOM 6295 OG SER C 230 41.840 -70.564 14.288 1.00 6.92 O -ATOM 6296 C SER C 230 44.663 -68.917 12.503 1.00 5.67 C -ATOM 6297 O SER C 230 44.814 -67.685 12.647 1.00 5.99 O -ATOM 6298 N GLN C 231 45.634 -69.754 12.205 1.00 5.96 N -ATOM 6299 CA GLN C 231 47.030 -69.283 11.977 1.00 6.10 C -ATOM 6300 CB GLN C 231 47.865 -70.421 11.418 1.00 6.39 C -ATOM 6301 CG GLN C 231 49.256 -70.020 10.940 1.00 6.98 C -ATOM 6302 CD GLN C 231 49.990 -71.178 10.288 1.00 7.69 C -ATOM 6303 OE1 GLN C 231 49.402 -71.894 9.498 1.00 8.04 O -ATOM 6304 NE2 GLN C 231 51.255 -71.329 10.605 1.00 8.35 N -ATOM 6305 C GLN C 231 47.023 -68.132 10.975 1.00 5.85 C -ATOM 6306 O GLN C 231 47.561 -67.061 11.228 1.00 6.02 O -ATOM 6307 N SER C 232 46.375 -68.318 9.841 1.00 5.62 N -ATOM 6308 CA SER C 232 46.448 -67.311 8.767 1.00 6.02 C -ATOM 6309 CB SER C 232 45.947 -67.892 7.502 1.00 6.87 C -ATOM 6310 OG SER C 232 46.846 -68.941 7.115 1.00 7.59 O -ATOM 6311 C SER C 232 45.682 -66.059 9.182 1.00 5.63 C -ATOM 6312 O SER C 232 46.112 -64.958 8.825 1.00 5.48 O -ATOM 6313 N SER C 233 44.553 -66.240 9.853 1.00 5.23 N -ATOM 6314 CA SER C 233 43.766 -65.110 10.345 1.00 4.94 C -ATOM 6315 CB SER C 233 42.582 -65.588 11.113 1.00 4.97 C -ATOM 6316 OG SER C 233 41.652 -66.313 10.300 1.00 6.07 O -ATOM 6317 C SER C 233 44.609 -64.181 11.196 1.00 4.82 C -ATOM 6318 O SER C 233 44.446 -62.969 11.128 1.00 5.36 O -ATOM 6319 N GLY C 234 45.511 -64.757 11.960 1.00 4.69 N -ATOM 6320 CA GLY C 234 46.317 -63.952 12.878 1.00 4.94 C -ATOM 6321 C GLY C 234 47.278 -62.964 12.201 1.00 5.03 C -ATOM 6322 O GLY C 234 47.670 -61.966 12.831 1.00 5.83 O -ATOM 6323 N TYR C 235 47.637 -63.204 10.935 1.00 5.34 N -ATOM 6324 CA TYR C 235 48.554 -62.310 10.187 1.00 5.64 C -ATOM 6325 CB TYR C 235 49.298 -63.115 9.121 1.00 5.88 C -ATOM 6326 CG TYR C 235 50.308 -64.063 9.705 1.00 6.01 C -ATOM 6327 CD1 TYR C 235 51.600 -63.668 10.023 1.00 6.54 C -ATOM 6328 CE1 TYR C 235 52.524 -64.533 10.608 1.00 7.33 C -ATOM 6329 CZ TYR C 235 52.148 -65.829 10.887 1.00 7.40 C -ATOM 6330 OH TYR C 235 53.041 -66.720 11.450 1.00 10.69 O -ATOM 6331 CE2 TYR C 235 50.876 -66.257 10.562 1.00 7.86 C -ATOM 6332 CD2 TYR C 235 49.961 -65.382 9.978 1.00 6.80 C -ATOM 6333 C TYR C 235 47.781 -61.176 9.537 1.00 6.13 C -ATOM 6334 O TYR C 235 48.407 -60.314 8.879 1.00 6.83 O -ATOM 6335 N VAL C 236 46.462 -61.114 9.656 1.00 5.35 N -ATOM 6336 CA VAL C 236 45.679 -60.120 8.898 1.00 5.38 C -ATOM 6337 CB VAL C 236 44.222 -60.551 8.822 1.00 5.29 C -ATOM 6338 CG1 VAL C 236 43.362 -59.451 8.206 1.00 5.59 C -ATOM 6339 CG2 VAL C 236 44.070 -61.837 8.032 1.00 5.72 C -ATOM 6340 C VAL C 236 45.823 -58.707 9.454 1.00 5.12 C -ATOM 6341 O VAL C 236 45.416 -58.422 10.591 1.00 6.32 O -ATOM 6342 N ALA C 237 46.414 -57.810 8.660 1.00 5.01 N -ATOM 6343 CA ALA C 237 46.622 -56.404 8.990 1.00 5.25 C -ATOM 6344 CB ALA C 237 48.097 -56.124 9.081 1.00 5.40 C -ATOM 6345 C ALA C 237 45.995 -55.491 7.931 1.00 5.44 C -ATOM 6346 O ALA C 237 46.206 -54.268 7.991 1.00 5.29 O -ATOM 6347 N MET C 238 45.294 -56.061 6.990 1.00 5.46 N -ATOM 6348 CA MET C 238 44.653 -55.345 5.859 1.00 5.32 C -ATOM 6349 CB MET C 238 45.578 -55.303 4.659 1.00 5.23 C -ATOM 6350 CG MET C 238 46.853 -54.516 4.877 1.00 5.34 C -ATOM 6351 SD MET C 238 47.526 -54.006 3.315 1.00 6.54 S -ATOM 6352 CE MET C 238 48.973 -53.045 3.784 1.00 7.06 C -ATOM 6353 C MET C 238 43.388 -56.086 5.464 1.00 5.00 C -ATOM 6354 O MET C 238 43.293 -57.297 5.676 1.00 5.56 O -ATOM 6355 N ASN C 239 42.406 -55.341 4.956 1.00 4.77 N -ATOM 6356 CA ASN C 239 41.131 -55.950 4.578 1.00 5.47 C -ATOM 6357 CB ASN C 239 40.090 -55.760 5.661 1.00 5.41 C -ATOM 6358 CG ASN C 239 40.383 -56.586 6.892 1.00 5.54 C -ATOM 6359 OD1 ASN C 239 41.072 -56.118 7.817 1.00 6.15 O -ATOM 6360 ND2 ASN C 239 39.902 -57.822 6.853 1.00 5.84 N -ATOM 6361 C ASN C 239 40.643 -55.353 3.258 1.00 5.85 C -ATOM 6362 O ASN C 239 40.804 -54.146 3.028 1.00 6.43 O -ATOM 6363 N ASN C 240 40.030 -56.164 2.436 1.00 5.93 N -ATOM 6364 CA ASN C 240 39.642 -55.818 1.054 1.00 6.80 C -ATOM 6365 CB ASN C 240 40.325 -56.842 0.142 1.00 9.35 C -ATOM 6366 CG ASN C 240 39.880 -56.920 -1.298 1.00 14.74 C -ATOM 6367 OD1 ASN C 240 39.514 -55.924 -1.903 1.00 18.35 O -ATOM 6368 ND2 ASN C 240 40.029 -58.084 -1.925 1.00 15.16 N -ATOM 6369 C ASN C 240 38.133 -55.903 0.916 1.00 6.35 C -ATOM 6370 O ASN C 240 37.550 -56.976 1.116 1.00 6.89 O -ATOM 6371 N MET C 241 37.481 -54.814 0.553 1.00 6.33 N -ATOM 6372 CA MET C 241 36.000 -54.697 0.556 1.00 6.99 C -ATOM 6373 CB MET C 241 35.546 -53.661 1.577 1.00 7.73 C -ATOM 6374 CG MET C 241 35.592 -54.245 3.018 1.00 8.63 C -ATOM 6375 SD MET C 241 37.042 -54.250 3.967 1.00 16.40 S -ATOM 6376 CE MET C 241 37.561 -52.527 3.862 1.00 8.86 C -ATOM 6377 C MET C 241 35.516 -54.223 -0.797 1.00 7.52 C -ATOM 6378 O MET C 241 36.032 -53.234 -1.324 1.00 7.59 O -ATOM 6379 N GLY C 242 34.487 -54.870 -1.325 1.00 8.24 N -ATOM 6380 CA GLY C 242 33.736 -54.321 -2.448 1.00 9.39 C -ATOM 6381 C GLY C 242 32.788 -53.230 -1.992 1.00 9.26 C -ATOM 6382 O GLY C 242 32.553 -53.023 -0.799 1.00 9.57 O -ATOM 6383 N LYS C 243 32.127 -52.612 -2.968 1.00 10.39 N -ATOM 6384 CA LYS C 243 31.192 -51.493 -2.728 1.00 11.26 C -ATOM 6385 CB LYS C 243 30.554 -51.108 -4.065 1.00 13.77 C -ATOM 6386 CG LYS C 243 29.369 -50.166 -3.947 1.00 15.49 C -ATOM 6387 CD LYS C 243 28.887 -49.744 -5.319 1.00 16.74 C -ATOM 6388 CE LYS C 243 28.132 -50.835 -6.035 1.00 21.33 C -ATOM 6389 NZ LYS C 243 27.455 -50.296 -7.232 1.00 25.73 N -ATOM 6390 C LYS C 243 30.125 -51.852 -1.690 1.00 9.81 C -ATOM 6391 O LYS C 243 29.892 -51.090 -0.738 1.00 10.25 O -ATOM 6392 N GLY C 244 29.604 -53.054 -1.785 1.00 10.00 N -ATOM 6393 CA GLY C 244 28.517 -53.497 -0.913 1.00 11.04 C -ATOM 6394 C GLY C 244 28.977 -53.713 0.512 1.00 10.54 C -ATOM 6395 O GLY C 244 28.135 -53.822 1.409 1.00 12.44 O -ATOM 6396 N ASP C 245 30.276 -53.879 0.725 1.00 9.47 N -ATOM 6397 CA ASP C 245 30.849 -54.269 2.037 1.00 9.55 C -ATOM 6398 CB ASP C 245 31.712 -55.526 1.836 1.00 10.98 C -ATOM 6399 CG ASP C 245 30.884 -56.735 1.356 1.00 11.47 C -ATOM 6400 OD1 ASP C 245 29.805 -56.991 1.961 1.00 15.72 O -ATOM 6401 OD2 ASP C 245 31.270 -57.363 0.352 1.00 15.77 O -ATOM 6402 C ASP C 245 31.570 -53.081 2.670 1.00 8.86 C -ATOM 6403 O ASP C 245 32.241 -53.278 3.714 1.00 8.30 O -ATOM 6404 N LYS C 246 31.488 -51.876 2.108 1.00 8.09 N -ATOM 6405 CA LYS C 246 32.365 -50.787 2.565 1.00 8.67 C -ATOM 6406 CB LYS C 246 32.270 -49.597 1.619 1.00 8.83 C -ATOM 6407 CG LYS C 246 30.935 -48.845 1.682 1.00 9.54 C -ATOM 6408 CD LYS C 246 30.987 -47.654 0.761 1.00 10.90 C -ATOM 6409 CE LYS C 246 29.715 -46.841 0.786 1.00 11.32 C -ATOM 6410 NZ LYS C 246 29.963 -45.602 0.011 1.00 10.91 N -ATOM 6411 C LYS C 246 32.063 -50.343 3.986 1.00 8.10 C -ATOM 6412 O LYS C 246 32.932 -49.701 4.591 1.00 9.37 O -ATOM 6413 N SER C 247 30.911 -50.652 4.545 1.00 8.37 N -ATOM 6414 CA SER C 247 30.638 -50.280 5.941 1.00 9.18 C -ATOM 6415 CB SER C 247 29.236 -50.618 6.347 1.00 11.45 C -ATOM 6416 OG SER C 247 29.014 -51.972 6.123 1.00 17.35 O -ATOM 6417 C SER C 247 31.692 -50.908 6.855 1.00 8.27 C -ATOM 6418 O SER C 247 31.965 -50.345 7.928 1.00 9.97 O -ATOM 6419 N TRP C 248 32.268 -52.035 6.462 1.00 7.64 N -ATOM 6420 CA TRP C 248 33.264 -52.735 7.305 1.00 7.62 C -ATOM 6421 CB TRP C 248 33.497 -54.174 6.824 1.00 7.94 C -ATOM 6422 CG TRP C 248 32.262 -55.010 7.001 1.00 7.86 C -ATOM 6423 CD1 TRP C 248 31.400 -55.498 6.060 1.00 8.48 C -ATOM 6424 NE1 TRP C 248 30.352 -56.107 6.691 1.00 9.20 N -ATOM 6425 CE2 TRP C 248 30.541 -56.088 8.038 1.00 8.36 C -ATOM 6426 CD2 TRP C 248 31.735 -55.373 8.275 1.00 8.19 C -ATOM 6427 CE3 TRP C 248 32.152 -55.205 9.594 1.00 8.00 C -ATOM 6428 CZ3 TRP C 248 31.357 -55.687 10.614 1.00 8.48 C -ATOM 6429 CH2 TRP C 248 30.156 -56.343 10.350 1.00 8.89 C -ATOM 6430 CZ2 TRP C 248 29.752 -56.609 9.072 1.00 8.93 C -ATOM 6431 C TRP C 248 34.571 -51.961 7.398 1.00 7.96 C -ATOM 6432 O TRP C 248 35.398 -52.275 8.272 1.00 7.83 O -ATOM 6433 N ALA C 249 34.781 -50.955 6.560 1.00 7.78 N -ATOM 6434 CA ALA C 249 36.024 -50.167 6.618 1.00 7.78 C -ATOM 6435 CB ALA C 249 36.106 -49.180 5.483 1.00 7.63 C -ATOM 6436 C ALA C 249 36.136 -49.493 7.992 1.00 7.09 C -ATOM 6437 O ALA C 249 37.259 -49.332 8.489 1.00 7.06 O -ATOM 6438 N LYS C 250 35.038 -49.090 8.632 1.00 8.21 N -ATOM 6439 CA LYS C 250 35.080 -48.510 10.001 1.00 7.97 C -ATOM 6440 CB LYS C 250 33.676 -48.091 10.476 1.00 10.82 C -ATOM 6441 CG LYS C 250 33.125 -46.885 9.751 1.00 12.61 C -ATOM 6442 CD LYS C 250 31.725 -46.523 10.212 1.00 15.61 C -ATOM 6443 CE LYS C 250 30.681 -47.402 9.557 1.00 18.01 C -ATOM 6444 NZ LYS C 250 30.523 -47.083 8.120 1.00 20.35 N -ATOM 6445 C LYS C 250 35.667 -49.519 10.983 1.00 7.11 C -ATOM 6446 O LYS C 250 36.354 -49.087 11.924 1.00 7.58 O -ATOM 6447 N GLN C 251 35.413 -50.797 10.771 1.00 6.92 N -ATOM 6448 CA GLN C 251 35.995 -51.821 11.677 1.00 6.87 C -ATOM 6449 CB GLN C 251 35.222 -53.109 11.652 1.00 7.33 C -ATOM 6450 CG GLN C 251 33.906 -52.940 12.395 1.00 7.48 C -ATOM 6451 CD GLN C 251 34.152 -52.956 13.888 1.00 7.36 C -ATOM 6452 OE1 GLN C 251 35.180 -53.416 14.380 1.00 7.84 O -ATOM 6453 NE2 GLN C 251 33.178 -52.475 14.665 1.00 8.88 N -ATOM 6454 C GLN C 251 37.470 -52.050 11.324 1.00 6.61 C -ATOM 6455 O GLN C 251 38.274 -52.289 12.230 1.00 7.18 O -ATOM 6456 N ALA C 252 37.837 -52.027 10.043 1.00 6.68 N -ATOM 6457 CA ALA C 252 39.270 -52.084 9.701 1.00 6.68 C -ATOM 6458 CB ALA C 252 39.474 -51.993 8.226 1.00 6.43 C -ATOM 6459 C ALA C 252 39.968 -50.927 10.428 1.00 6.42 C -ATOM 6460 O ALA C 252 40.999 -51.108 11.061 1.00 6.99 O -ATOM 6461 N PHE C 253 39.401 -49.742 10.347 1.00 6.86 N -ATOM 6462 CA PHE C 253 39.972 -48.541 10.991 1.00 7.27 C -ATOM 6463 CB PHE C 253 39.082 -47.343 10.672 1.00 8.92 C -ATOM 6464 CG PHE C 253 39.429 -46.076 11.399 1.00 10.76 C -ATOM 6465 CD1 PHE C 253 40.510 -45.316 10.995 1.00 12.84 C -ATOM 6466 CE1 PHE C 253 40.812 -44.136 11.655 1.00 15.36 C -ATOM 6467 CZ PHE C 253 40.072 -43.741 12.746 1.00 15.99 C -ATOM 6468 CD2 PHE C 253 38.677 -45.671 12.482 1.00 14.70 C -ATOM 6469 CE2 PHE C 253 38.986 -44.488 13.139 1.00 16.68 C -ATOM 6470 C PHE C 253 40.065 -48.784 12.504 1.00 7.15 C -ATOM 6471 O PHE C 253 41.095 -48.511 13.111 1.00 6.82 O -ATOM 6472 N ALA C 254 39.010 -49.297 13.124 1.00 6.48 N -ATOM 6473 CA ALA C 254 39.038 -49.547 14.581 1.00 7.04 C -ATOM 6474 CB ALA C 254 37.714 -50.122 15.030 1.00 7.70 C -ATOM 6475 C ALA C 254 40.157 -50.529 14.947 1.00 6.34 C -ATOM 6476 O ALA C 254 40.696 -50.449 16.044 1.00 7.00 O -ATOM 6477 N TYR C 255 40.456 -51.478 14.075 1.00 6.13 N -ATOM 6478 CA TYR C 255 41.486 -52.520 14.305 1.00 6.06 C -ATOM 6479 CB TYR C 255 40.991 -53.845 13.700 1.00 6.08 C -ATOM 6480 CG TYR C 255 40.243 -54.666 14.713 1.00 5.93 C -ATOM 6481 CD1 TYR C 255 38.902 -54.424 14.962 1.00 5.73 C -ATOM 6482 CE1 TYR C 255 38.210 -55.123 15.949 1.00 6.18 C -ATOM 6483 CZ TYR C 255 38.850 -56.068 16.711 1.00 6.92 C -ATOM 6484 OH TYR C 255 38.239 -56.770 17.715 1.00 7.47 O -ATOM 6485 CE2 TYR C 255 40.184 -56.345 16.453 1.00 6.89 C -ATOM 6486 CD2 TYR C 255 40.876 -55.655 15.463 1.00 5.97 C -ATOM 6487 C TYR C 255 42.878 -52.134 13.790 1.00 5.92 C -ATOM 6488 O TYR C 255 43.784 -52.942 13.827 1.00 5.79 O -ATOM 6489 N SER C 256 43.009 -50.899 13.282 1.00 5.64 N -ATOM 6490 CA SER C 256 44.270 -50.462 12.630 1.00 5.51 C -ATOM 6491 CB SER C 256 45.359 -50.244 13.631 1.00 5.42 C -ATOM 6492 OG SER C 256 45.012 -49.191 14.502 1.00 6.40 O -ATOM 6493 C SER C 256 44.677 -51.465 11.568 1.00 5.53 C -ATOM 6494 O SER C 256 45.896 -51.745 11.384 1.00 6.69 O -ATOM 6495 N HIS C 257 43.728 -51.947 10.800 1.00 5.52 N -ATOM 6496 CA HIS C 257 43.990 -52.688 9.550 1.00 5.32 C -ATOM 6497 CB HIS C 257 43.056 -53.861 9.360 1.00 5.29 C -ATOM 6498 CG HIS C 257 43.193 -54.965 10.358 1.00 5.13 C -ATOM 6499 ND1 HIS C 257 42.497 -56.178 10.164 1.00 5.14 N -ATOM 6500 CE1 HIS C 257 42.692 -56.937 11.236 1.00 5.60 C -ATOM 6501 NE2 HIS C 257 43.455 -56.317 12.105 1.00 5.17 N -ATOM 6502 CD2 HIS C 257 43.781 -55.066 11.572 1.00 5.58 C -ATOM 6503 C HIS C 257 43.806 -51.741 8.371 1.00 5.07 C -ATOM 6504 O HIS C 257 42.849 -50.936 8.397 1.00 6.10 O -ATOM 6505 N ILE C 258 44.647 -51.839 7.358 1.00 5.27 N -ATOM 6506 CA ILE C 258 44.496 -50.955 6.169 1.00 5.62 C -ATOM 6507 CB ILE C 258 45.809 -50.828 5.370 1.00 5.69 C -ATOM 6508 CG1 ILE C 258 46.973 -50.461 6.283 1.00 5.94 C -ATOM 6509 CG2 ILE C 258 45.615 -49.883 4.215 1.00 5.85 C -ATOM 6510 CD1 ILE C 258 46.820 -49.206 7.058 1.00 6.82 C -ATOM 6511 C ILE C 258 43.329 -51.483 5.332 1.00 5.21 C -ATOM 6512 O ILE C 258 43.433 -52.559 4.730 1.00 5.76 O -ATOM 6513 N GLY C 259 42.266 -50.705 5.274 1.00 5.53 N -ATOM 6514 CA GLY C 259 41.066 -51.087 4.509 1.00 5.73 C -ATOM 6515 C GLY C 259 41.088 -50.523 3.107 1.00 6.01 C -ATOM 6516 O GLY C 259 41.393 -49.315 2.938 1.00 6.86 O -ATOM 6517 N ARG C 260 40.761 -51.321 2.121 1.00 5.91 N -ATOM 6518 CA ARG C 260 40.647 -50.927 0.702 1.00 6.64 C -ATOM 6519 CB ARG C 260 41.639 -51.671 -0.178 1.00 7.58 C -ATOM 6520 CG ARG C 260 41.492 -51.280 -1.646 1.00 8.37 C -ATOM 6521 CD ARG C 260 42.808 -51.578 -2.342 1.00 10.67 C -ATOM 6522 NE ARG C 260 42.870 -51.285 -3.772 1.00 12.93 N -ATOM 6523 CZ ARG C 260 42.303 -52.006 -4.722 1.00 13.66 C -ATOM 6524 NH1 ARG C 260 41.522 -53.017 -4.429 1.00 12.76 N -ATOM 6525 NH2 ARG C 260 42.464 -51.662 -5.992 1.00 15.75 N -ATOM 6526 C ARG C 260 39.219 -51.189 0.248 1.00 6.29 C -ATOM 6527 O ARG C 260 38.680 -52.241 0.556 1.00 6.88 O -ATOM 6528 N VAL C 261 38.605 -50.207 -0.396 1.00 6.09 N -ATOM 6529 CA VAL C 261 37.257 -50.360 -0.987 1.00 6.35 C -ATOM 6530 CB VAL C 261 36.249 -49.376 -0.390 1.00 6.54 C -ATOM 6531 CG1 VAL C 261 34.916 -49.455 -1.124 1.00 7.18 C -ATOM 6532 CG2 VAL C 261 36.034 -49.710 1.072 1.00 7.32 C -ATOM 6533 C VAL C 261 37.368 -50.114 -2.485 1.00 6.63 C -ATOM 6534 O VAL C 261 37.850 -49.087 -2.939 1.00 6.93 O -ATOM 6535 N TRP C 262 36.923 -51.094 -3.244 1.00 7.06 N -ATOM 6536 CA TRP C 262 36.887 -51.021 -4.712 1.00 8.33 C -ATOM 6537 CB TRP C 262 37.705 -52.185 -5.296 1.00 9.12 C -ATOM 6538 CG TRP C 262 37.220 -53.557 -4.942 1.00 11.32 C -ATOM 6539 CD1 TRP C 262 37.592 -54.286 -3.851 1.00 11.22 C -ATOM 6540 NE1 TRP C 262 36.943 -55.479 -3.814 1.00 12.23 N -ATOM 6541 CE2 TRP C 262 36.100 -55.555 -4.887 1.00 13.16 C -ATOM 6542 CD2 TRP C 262 36.256 -54.362 -5.638 1.00 12.06 C -ATOM 6543 CE3 TRP C 262 35.514 -54.199 -6.809 1.00 14.00 C -ATOM 6544 CZ3 TRP C 262 34.668 -55.222 -7.200 1.00 15.61 C -ATOM 6545 CH2 TRP C 262 34.551 -56.401 -6.457 1.00 16.04 C -ATOM 6546 CZ2 TRP C 262 35.243 -56.582 -5.285 1.00 14.95 C -ATOM 6547 C TRP C 262 35.444 -51.029 -5.215 1.00 8.62 C -ATOM 6548 O TRP C 262 34.542 -51.569 -4.552 1.00 9.28 O -ATOM 6549 N GLY C 263 35.260 -50.496 -6.427 1.00 8.38 N -ATOM 6550 CA GLY C 263 33.976 -50.514 -7.159 1.00 9.69 C -ATOM 6551 C GLY C 263 33.024 -49.419 -6.729 1.00 9.57 C -ATOM 6552 O GLY C 263 31.832 -49.473 -7.134 1.00 10.99 O -ATOM 6553 N ASP C 264 33.471 -48.450 -5.937 1.00 8.91 N -ATOM 6554 CA ASP C 264 32.588 -47.382 -5.429 1.00 8.55 C -ATOM 6555 CB ASP C 264 32.668 -47.301 -3.904 1.00 8.64 C -ATOM 6556 CG ASP C 264 31.423 -46.685 -3.279 1.00 9.33 C -ATOM 6557 OD1 ASP C 264 30.335 -46.725 -3.877 1.00 10.35 O -ATOM 6558 OD2 ASP C 264 31.552 -46.140 -2.150 1.00 10.22 O -ATOM 6559 C ASP C 264 32.893 -46.030 -6.088 1.00 8.65 C -ATOM 6560 O ASP C 264 32.935 -44.999 -5.398 1.00 8.83 O -ATOM 6561 N ASP C 265 33.034 -46.015 -7.402 1.00 8.29 N -ATOM 6562 CA ASP C 265 33.614 -44.873 -8.132 1.00 8.99 C -ATOM 6563 CB ASP C 265 33.906 -45.266 -9.572 1.00 9.41 C -ATOM 6564 CG ASP C 265 34.970 -46.351 -9.638 1.00 9.03 C -ATOM 6565 OD1 ASP C 265 34.635 -47.485 -9.339 1.00 9.53 O -ATOM 6566 OD2 ASP C 265 36.140 -46.015 -9.975 1.00 9.80 O -ATOM 6567 C ASP C 265 32.723 -43.633 -8.115 1.00 9.73 C -ATOM 6568 O ASP C 265 33.267 -42.577 -8.369 1.00 11.78 O -ATOM 6569 N GLU C 266 31.430 -43.791 -7.909 1.00 10.26 N -ATOM 6570 CA GLU C 266 30.536 -42.607 -7.966 1.00 11.31 C -ATOM 6571 CB GLU C 266 29.125 -43.054 -8.333 1.00 13.83 C -ATOM 6572 CG GLU C 266 29.050 -43.822 -9.639 1.00 17.34 C -ATOM 6573 CD GLU C 266 29.826 -43.217 -10.801 1.00 21.18 C -ATOM 6574 OE1 GLU C 266 29.735 -41.994 -11.008 1.00 29.46 O -ATOM 6575 OE2 GLU C 266 30.514 -43.986 -11.522 1.00 29.54 O -ATOM 6576 C GLU C 266 30.522 -41.846 -6.650 1.00 11.26 C -ATOM 6577 O GLU C 266 29.865 -40.781 -6.567 1.00 12.71 O -ATOM 6578 N VAL C 267 31.163 -42.342 -5.602 1.00 9.75 N -ATOM 6579 CA VAL C 267 31.232 -41.704 -4.271 1.00 9.19 C -ATOM 6580 CB VAL C 267 31.021 -42.776 -3.179 1.00 9.48 C -ATOM 6581 CG1 VAL C 267 31.360 -42.239 -1.788 1.00 9.98 C -ATOM 6582 CG2 VAL C 267 29.610 -43.335 -3.222 1.00 10.40 C -ATOM 6583 C VAL C 267 32.569 -40.963 -4.206 1.00 8.59 C -ATOM 6584 O VAL C 267 33.620 -41.498 -4.594 1.00 10.13 O -ATOM 6585 N SER C 268 32.520 -39.726 -3.747 1.00 8.53 N -ATOM 6586 CA SER C 268 33.682 -38.815 -3.698 1.00 8.50 C -ATOM 6587 CB SER C 268 33.237 -37.419 -3.340 1.00 8.86 C -ATOM 6588 OG SER C 268 32.885 -37.325 -1.976 1.00 9.20 O -ATOM 6589 C SER C 268 34.730 -39.291 -2.674 1.00 8.20 C -ATOM 6590 O SER C 268 34.446 -40.014 -1.701 1.00 8.30 O -ATOM 6591 N PHE C 269 35.939 -38.835 -2.890 1.00 7.92 N -ATOM 6592 CA PHE C 269 37.041 -39.131 -1.955 1.00 8.13 C -ATOM 6593 CB PHE C 269 38.351 -38.615 -2.521 1.00 7.76 C -ATOM 6594 CG PHE C 269 39.558 -38.808 -1.646 1.00 7.47 C -ATOM 6595 CD1 PHE C 269 39.778 -39.982 -0.936 1.00 8.03 C -ATOM 6596 CE1 PHE C 269 40.915 -40.137 -0.144 1.00 7.91 C -ATOM 6597 CZ PHE C 269 41.870 -39.145 -0.087 1.00 8.41 C -ATOM 6598 CD2 PHE C 269 40.515 -37.802 -1.528 1.00 8.18 C -ATOM 6599 CE2 PHE C 269 41.667 -37.973 -0.778 1.00 8.41 C -ATOM 6600 C PHE C 269 36.678 -38.580 -0.575 1.00 7.83 C -ATOM 6601 O PHE C 269 36.886 -39.234 0.431 1.00 8.14 O -ATOM 6602 N ALA C 270 36.110 -37.351 -0.527 1.00 7.69 N -ATOM 6603 CA ALA C 270 35.748 -36.744 0.768 1.00 7.63 C -ATOM 6604 CB ALA C 270 35.215 -35.346 0.539 1.00 8.76 C -ATOM 6605 C ALA C 270 34.752 -37.628 1.526 1.00 8.29 C -ATOM 6606 O ALA C 270 34.899 -37.802 2.741 1.00 8.67 O -ATOM 6607 N GLN C 271 33.808 -38.260 0.838 1.00 8.24 N -ATOM 6608 CA GLN C 271 32.874 -39.167 1.529 1.00 8.66 C -ATOM 6609 CB GLN C 271 31.672 -39.582 0.683 1.00 10.05 C -ATOM 6610 CG GLN C 271 30.609 -40.344 1.506 1.00 12.36 C -ATOM 6611 CD GLN C 271 30.198 -39.820 2.875 1.00 16.14 C -ATOM 6612 OE1 GLN C 271 30.560 -38.733 3.334 1.00 17.45 O -ATOM 6613 NE2 GLN C 271 29.302 -40.552 3.514 1.00 19.03 N -ATOM 6614 C GLN C 271 33.624 -40.420 1.980 1.00 7.57 C -ATOM 6615 O GLN C 271 33.369 -40.883 3.113 1.00 8.47 O -ATOM 6616 N HIS C 272 34.488 -40.960 1.147 1.00 7.41 N -ATOM 6617 CA HIS C 272 35.240 -42.155 1.577 1.00 7.25 C -ATOM 6618 CB HIS C 272 36.065 -42.716 0.442 1.00 7.58 C -ATOM 6619 CG HIS C 272 35.223 -43.403 -0.595 1.00 7.69 C -ATOM 6620 ND1 HIS C 272 35.406 -43.254 -1.976 1.00 8.69 N -ATOM 6621 CE1 HIS C 272 34.536 -44.010 -2.622 1.00 8.84 C -ATOM 6622 NE2 HIS C 272 33.759 -44.625 -1.694 1.00 9.54 N -ATOM 6623 CD2 HIS C 272 34.149 -44.181 -0.454 1.00 8.27 C -ATOM 6624 C HIS C 272 36.118 -41.847 2.783 1.00 7.60 C -ATOM 6625 O HIS C 272 36.226 -42.718 3.683 1.00 7.72 O -ATOM 6626 N ILE C 273 36.693 -40.653 2.865 1.00 7.09 N -ATOM 6627 CA ILE C 273 37.448 -40.227 4.080 1.00 8.46 C -ATOM 6628 CB ILE C 273 38.019 -38.828 3.884 1.00 8.21 C -ATOM 6629 CG1 ILE C 273 39.126 -38.850 2.828 1.00 9.40 C -ATOM 6630 CG2 ILE C 273 38.469 -38.260 5.233 1.00 9.22 C -ATOM 6631 CD1 ILE C 273 39.544 -37.510 2.355 1.00 9.73 C -ATOM 6632 C ILE C 273 36.522 -40.286 5.291 1.00 7.86 C -ATOM 6633 O ILE C 273 36.901 -40.819 6.354 1.00 8.58 O -ATOM 6634 N ASN C 274 35.326 -39.710 5.157 1.00 8.67 N -ATOM 6635 CA ASN C 274 34.357 -39.757 6.281 1.00 9.83 C -ATOM 6636 CB ASN C 274 33.070 -39.017 5.927 1.00 12.33 C -ATOM 6637 CG ASN C 274 33.257 -37.523 5.890 1.00 15.26 C -ATOM 6638 OD1 ASN C 274 34.198 -36.986 6.478 1.00 19.52 O -ATOM 6639 ND2 ASN C 274 32.352 -36.852 5.195 1.00 17.13 N -ATOM 6640 C ASN C 274 34.029 -41.191 6.698 1.00 9.62 C -ATOM 6641 O ASN C 274 33.779 -41.409 7.890 1.00 10.83 O -ATOM 6642 N GLN C 275 34.019 -42.127 5.751 1.00 9.08 N -ATOM 6643 CA GLN C 275 33.672 -43.544 6.004 1.00 10.02 C -ATOM 6644 CB GLN C 275 33.026 -44.147 4.741 1.00 11.25 C -ATOM 6645 CG GLN C 275 31.697 -43.510 4.318 1.00 13.63 C -ATOM 6646 CD GLN C 275 31.076 -43.846 2.969 1.00 15.17 C -ATOM 6647 OE1 GLN C 275 31.685 -44.183 1.924 1.00 13.64 O -ATOM 6648 NE2 GLN C 275 29.776 -43.627 2.931 1.00 18.96 N -ATOM 6649 C GLN C 275 34.923 -44.322 6.461 1.00 8.35 C -ATOM 6650 O GLN C 275 34.841 -45.554 6.570 1.00 8.94 O -ATOM 6651 N LYS C 276 36.029 -43.654 6.752 1.00 7.89 N -ATOM 6652 CA LYS C 276 37.211 -44.308 7.368 1.00 7.59 C -ATOM 6653 CB LYS C 276 36.878 -44.872 8.744 1.00 8.86 C -ATOM 6654 CG LYS C 276 36.248 -43.902 9.719 1.00 11.45 C -ATOM 6655 CD LYS C 276 37.038 -42.665 10.060 1.00 13.71 C -ATOM 6656 CE LYS C 276 36.192 -41.800 10.968 1.00 15.57 C -ATOM 6657 NZ LYS C 276 36.790 -40.473 11.106 1.00 16.71 N -ATOM 6658 C LYS C 276 37.812 -45.370 6.454 1.00 7.19 C -ATOM 6659 O LYS C 276 38.359 -46.378 6.980 1.00 6.92 O -ATOM 6660 N ILE C 277 37.865 -45.097 5.175 1.00 6.82 N -ATOM 6661 CA ILE C 277 38.485 -46.000 4.181 1.00 6.94 C -ATOM 6662 CB ILE C 277 37.642 -45.979 2.905 1.00 7.21 C -ATOM 6663 CG1 ILE C 277 36.234 -46.515 3.202 1.00 7.30 C -ATOM 6664 CG2 ILE C 277 38.343 -46.749 1.813 1.00 7.31 C -ATOM 6665 CD1 ILE C 277 35.179 -46.202 2.108 1.00 7.70 C -ATOM 6666 C ILE C 277 39.911 -45.549 3.895 1.00 6.41 C -ATOM 6667 O ILE C 277 40.138 -44.399 3.465 1.00 6.84 O -ATOM 6668 N ASN C 278 40.883 -46.409 4.156 1.00 6.09 N -ATOM 6669 CA ASN C 278 42.285 -46.020 3.878 1.00 6.41 C -ATOM 6670 CB ASN C 278 43.287 -46.977 4.489 1.00 6.69 C -ATOM 6671 CG ASN C 278 43.322 -46.971 5.992 1.00 6.42 C -ATOM 6672 OD1 ASN C 278 42.830 -47.912 6.633 1.00 6.18 O -ATOM 6673 ND2 ASN C 278 43.879 -45.930 6.583 1.00 6.49 N -ATOM 6674 C ASN C 278 42.539 -45.907 2.384 1.00 6.33 C -ATOM 6675 O ASN C 278 43.258 -44.943 1.998 1.00 7.21 O -ATOM 6676 N LEU C 279 42.136 -46.893 1.606 1.00 5.90 N -ATOM 6677 CA LEU C 279 42.475 -46.914 0.179 1.00 6.29 C -ATOM 6678 CB LEU C 279 43.399 -48.086 -0.143 1.00 6.66 C -ATOM 6679 CG LEU C 279 44.628 -48.287 0.744 1.00 7.10 C -ATOM 6680 CD1 LEU C 279 45.356 -49.583 0.421 1.00 7.61 C -ATOM 6681 CD2 LEU C 279 45.591 -47.088 0.655 1.00 8.12 C -ATOM 6682 C LEU C 279 41.199 -47.018 -0.637 1.00 6.77 C -ATOM 6683 O LEU C 279 40.533 -48.054 -0.609 1.00 6.55 O -ATOM 6684 N SER C 280 40.846 -45.920 -1.318 1.00 7.02 N -ATOM 6685 CA SER C 280 39.623 -45.860 -2.155 1.00 7.33 C -ATOM 6686 CB SER C 280 38.913 -44.553 -1.978 1.00 7.74 C -ATOM 6687 OG SER C 280 38.362 -44.426 -0.675 1.00 9.34 O -ATOM 6688 C SER C 280 40.021 -46.069 -3.608 1.00 6.75 C -ATOM 6689 O SER C 280 40.649 -45.152 -4.175 1.00 7.76 O -ATOM 6690 N ALA C 281 39.716 -47.220 -4.177 1.00 7.00 N -ATOM 6691 CA ALA C 281 40.209 -47.564 -5.518 1.00 7.54 C -ATOM 6692 CB ALA C 281 40.245 -49.067 -5.632 1.00 8.29 C -ATOM 6693 C ALA C 281 39.274 -46.969 -6.555 1.00 7.26 C -ATOM 6694 O ALA C 281 38.073 -47.255 -6.547 1.00 8.87 O -ATOM 6695 N TYR C 282 39.815 -46.196 -7.483 1.00 7.05 N -ATOM 6696 CA TYR C 282 39.049 -45.592 -8.596 1.00 7.57 C -ATOM 6697 CB TYR C 282 39.004 -44.071 -8.471 1.00 8.09 C -ATOM 6698 CG TYR C 282 38.263 -43.524 -7.289 1.00 8.47 C -ATOM 6699 CD1 TYR C 282 38.890 -43.300 -6.087 1.00 8.01 C -ATOM 6700 CE1 TYR C 282 38.206 -42.704 -5.055 1.00 7.66 C -ATOM 6701 CZ TYR C 282 36.863 -42.360 -5.200 1.00 7.54 C -ATOM 6702 OH TYR C 282 36.240 -41.719 -4.145 1.00 9.51 O -ATOM 6703 CE2 TYR C 282 36.224 -42.557 -6.417 1.00 8.15 C -ATOM 6704 CD2 TYR C 282 36.931 -43.126 -7.451 1.00 8.25 C -ATOM 6705 C TYR C 282 39.727 -45.897 -9.921 1.00 8.15 C -ATOM 6706 O TYR C 282 40.902 -45.745 -10.092 1.00 9.21 O -ATOM 6707 N TYR C 283 38.932 -46.268 -10.909 1.00 8.17 N -ATOM 6708 CA TYR C 283 39.432 -46.383 -12.289 1.00 8.88 C -ATOM 6709 CB TYR C 283 38.265 -46.796 -13.176 1.00 9.21 C -ATOM 6710 CG TYR C 283 37.762 -48.186 -12.942 1.00 9.93 C -ATOM 6711 CD1 TYR C 283 38.579 -49.278 -13.152 1.00 10.63 C -ATOM 6712 CE1 TYR C 283 38.114 -50.567 -12.971 1.00 10.62 C -ATOM 6713 CZ TYR C 283 36.792 -50.771 -12.622 1.00 11.29 C -ATOM 6714 OH TYR C 283 36.290 -52.029 -12.473 1.00 13.97 O -ATOM 6715 CE2 TYR C 283 35.961 -49.689 -12.376 1.00 11.95 C -ATOM 6716 CD2 TYR C 283 36.452 -48.413 -12.576 1.00 10.92 C -ATOM 6717 C TYR C 283 39.993 -45.039 -12.737 1.00 9.06 C -ATOM 6718 O TYR C 283 41.097 -44.958 -13.253 1.00 9.59 O -ATOM 6719 N ARG C 284 39.243 -43.977 -12.473 1.00 9.45 N -ATOM 6720 CA ARG C 284 39.591 -42.591 -12.849 1.00 10.66 C -ATOM 6721 CB ARG C 284 38.369 -41.876 -13.420 1.00 12.04 C -ATOM 6722 CG ARG C 284 37.877 -42.513 -14.698 1.00 14.37 C -ATOM 6723 CD ARG C 284 36.698 -41.776 -15.302 1.00 17.67 C -ATOM 6724 NE ARG C 284 37.091 -40.440 -15.745 1.00 21.40 N -ATOM 6725 CZ ARG C 284 36.727 -39.300 -15.153 1.00 22.81 C -ATOM 6726 NH1 ARG C 284 35.958 -39.318 -14.078 1.00 24.01 N -ATOM 6727 NH2 ARG C 284 37.135 -38.138 -15.629 1.00 23.98 N -ATOM 6728 C ARG C 284 40.199 -41.878 -11.646 1.00 10.02 C -ATOM 6729 O ARG C 284 39.605 -40.954 -11.081 1.00 9.75 O -ATOM 6730 N PHE C 285 41.400 -42.303 -11.254 1.00 10.21 N -ATOM 6731 CA PHE C 285 42.012 -41.849 -9.984 1.00 9.45 C -ATOM 6732 CB PHE C 285 43.219 -42.714 -9.598 1.00 9.47 C -ATOM 6733 CG PHE C 285 44.192 -42.902 -10.730 1.00 9.98 C -ATOM 6734 CD1 PHE C 285 45.199 -41.985 -10.994 1.00 10.60 C -ATOM 6735 CE1 PHE C 285 46.011 -42.133 -12.107 1.00 11.13 C -ATOM 6736 CZ PHE C 285 45.871 -43.224 -12.917 1.00 10.80 C -ATOM 6737 CD2 PHE C 285 44.057 -43.983 -11.567 1.00 9.95 C -ATOM 6738 CE2 PHE C 285 44.893 -44.142 -12.664 1.00 10.42 C -ATOM 6739 C PHE C 285 42.362 -40.363 -10.045 1.00 8.73 C -ATOM 6740 O PHE C 285 42.238 -39.699 -9.037 1.00 8.72 O -ATOM 6741 N ALA C 286 42.870 -39.894 -11.191 1.00 10.58 N -ATOM 6742 CA ALA C 286 43.380 -38.514 -11.274 1.00 10.71 C -ATOM 6743 CB ALA C 286 44.100 -38.261 -12.580 1.00 10.95 C -ATOM 6744 C ALA C 286 42.232 -37.523 -11.057 1.00 10.76 C -ATOM 6745 O ALA C 286 42.435 -36.435 -10.524 1.00 12.26 O -ATOM 6746 N ALA C 287 41.016 -37.912 -11.418 1.00 11.42 N -ATOM 6747 CA ALA C 287 39.825 -37.049 -11.348 1.00 12.10 C -ATOM 6748 CB ALA C 287 38.743 -37.622 -12.220 1.00 13.05 C -ATOM 6749 C ALA C 287 39.354 -36.894 -9.901 1.00 12.42 C -ATOM 6750 O ALA C 287 38.438 -36.122 -9.662 1.00 12.75 O -ATOM 6751 N GLN C 288 39.870 -37.658 -8.934 1.00 11.13 N -ATOM 6752 CA GLN C 288 39.384 -37.601 -7.536 1.00 10.41 C -ATOM 6753 CB GLN C 288 39.360 -39.009 -6.921 1.00 10.02 C -ATOM 6754 CG GLN C 288 38.771 -40.075 -7.849 1.00 11.28 C -ATOM 6755 CD GLN C 288 37.400 -39.745 -8.368 1.00 11.83 C -ATOM 6756 OE1 GLN C 288 36.571 -39.202 -7.652 1.00 11.69 O -ATOM 6757 NE2 GLN C 288 37.106 -40.187 -9.571 1.00 13.84 N -ATOM 6758 C GLN C 288 40.321 -36.736 -6.714 1.00 10.18 C -ATOM 6759 O GLN C 288 41.531 -36.760 -6.959 1.00 10.63 O -ATOM 6760 N SER C 289 39.762 -36.027 -5.764 1.00 10.82 N -ATOM 6761 CA SER C 289 40.515 -35.211 -4.806 1.00 11.68 C -ATOM 6762 CB SER C 289 41.190 -34.053 -5.487 1.00 12.20 C -ATOM 6763 OG SER C 289 40.242 -33.162 -6.090 1.00 15.41 O -ATOM 6764 C SER C 289 39.518 -34.734 -3.761 1.00 11.20 C -ATOM 6765 O SER C 289 38.277 -34.758 -4.012 1.00 12.60 O -ATOM 6766 N ALA C 290 40.045 -34.325 -2.642 1.00 10.41 N -ATOM 6767 CA ALA C 290 39.306 -33.679 -1.536 1.00 11.23 C -ATOM 6768 CB ALA C 290 39.040 -34.652 -0.400 1.00 11.04 C -ATOM 6769 C ALA C 290 40.161 -32.521 -1.031 1.00 11.86 C -ATOM 6770 O ALA C 290 41.320 -32.760 -0.670 1.00 12.01 O -ATOM 6771 N GLY C 291 39.636 -31.275 -1.051 1.00 12.80 N -ATOM 6772 CA GLY C 291 40.416 -30.084 -0.662 1.00 14.66 C -ATOM 6773 C GLY C 291 41.677 -29.954 -1.507 1.00 15.22 C -ATOM 6774 O GLY C 291 42.684 -29.440 -1.007 1.00 17.00 O -ATOM 6775 N GLY C 292 41.653 -30.466 -2.726 1.00 13.90 N -ATOM 6776 CA GLY C 292 42.809 -30.410 -3.648 1.00 14.16 C -ATOM 6777 C GLY C 292 43.810 -31.556 -3.463 1.00 12.83 C -ATOM 6778 O GLY C 292 44.821 -31.596 -4.177 1.00 13.79 O -ATOM 6779 N TYR C 293 43.545 -32.504 -2.576 1.00 11.60 N -ATOM 6780 CA TYR C 293 44.500 -33.589 -2.219 1.00 10.12 C -ATOM 6781 CB TYR C 293 44.746 -33.585 -0.734 1.00 11.31 C -ATOM 6782 CG TYR C 293 45.302 -32.277 -0.241 1.00 12.36 C -ATOM 6783 CD1 TYR C 293 46.536 -31.845 -0.700 1.00 12.85 C -ATOM 6784 CE1 TYR C 293 47.103 -30.664 -0.277 1.00 13.96 C -ATOM 6785 CZ TYR C 293 46.446 -29.940 0.684 1.00 13.12 C -ATOM 6786 OH TYR C 293 47.039 -28.796 1.120 1.00 15.48 O -ATOM 6787 CE2 TYR C 293 45.215 -30.338 1.161 1.00 14.57 C -ATOM 6788 CD2 TYR C 293 44.658 -31.528 0.714 1.00 13.94 C -ATOM 6789 C TYR C 293 43.981 -34.968 -2.567 1.00 9.92 C -ATOM 6790 O TYR C 293 42.753 -35.208 -2.538 1.00 9.60 O -ATOM 6791 N ARG C 294 44.913 -35.873 -2.870 1.00 9.04 N -ATOM 6792 CA ARG C 294 44.571 -37.303 -3.032 1.00 7.80 C -ATOM 6793 CB ARG C 294 45.123 -37.808 -4.347 1.00 7.64 C -ATOM 6794 CG ARG C 294 44.548 -37.087 -5.551 1.00 8.54 C -ATOM 6795 CD ARG C 294 44.603 -37.918 -6.811 1.00 9.29 C -ATOM 6796 NE ARG C 294 44.378 -37.096 -8.005 1.00 9.17 N -ATOM 6797 CZ ARG C 294 45.312 -36.330 -8.556 1.00 10.41 C -ATOM 6798 NH1 ARG C 294 46.547 -36.346 -8.084 1.00 10.51 N -ATOM 6799 NH2 ARG C 294 44.997 -35.523 -9.560 1.00 12.90 N -ATOM 6800 C ARG C 294 45.055 -38.138 -1.848 1.00 7.57 C -ATOM 6801 O ARG C 294 44.794 -39.364 -1.849 1.00 8.12 O -ATOM 6802 N ILE C 295 45.771 -37.559 -0.915 1.00 7.47 N -ATOM 6803 CA ILE C 295 46.215 -38.234 0.318 1.00 8.05 C -ATOM 6804 CB ILE C 295 47.703 -38.636 0.225 1.00 7.94 C -ATOM 6805 CG1 ILE C 295 47.914 -39.650 -0.904 1.00 8.32 C -ATOM 6806 CG2 ILE C 295 48.166 -39.182 1.554 1.00 8.58 C -ATOM 6807 CD1 ILE C 295 49.295 -40.272 -1.000 1.00 8.72 C -ATOM 6808 C ILE C 295 45.954 -37.247 1.445 1.00 8.46 C -ATOM 6809 O ILE C 295 46.479 -36.105 1.381 1.00 9.38 O -ATOM 6810 N ARG C 296 45.240 -37.671 2.478 1.00 8.83 N -ATOM 6811 CA ARG C 296 44.871 -36.774 3.595 1.00 9.77 C -ATOM 6812 CB ARG C 296 43.470 -36.150 3.339 1.00 10.56 C -ATOM 6813 CG ARG C 296 43.296 -35.333 2.065 1.00 10.84 C -ATOM 6814 CD ARG C 296 42.192 -34.292 2.300 1.00 11.45 C -ATOM 6815 NE ARG C 296 42.738 -33.156 3.032 1.00 12.29 N -ATOM 6816 CZ ARG C 296 42.136 -31.965 3.104 1.00 12.72 C -ATOM 6817 NH1 ARG C 296 40.922 -31.755 2.563 1.00 14.23 N -ATOM 6818 NH2 ARG C 296 42.785 -31.017 3.758 1.00 14.35 N -ATOM 6819 C ARG C 296 44.783 -37.609 4.869 1.00 8.80 C -ATOM 6820 O ARG C 296 44.259 -38.716 4.784 1.00 9.27 O -ATOM 6821 N PRO C 297 45.102 -37.090 6.064 1.00 9.44 N -ATOM 6822 CA PRO C 297 44.676 -37.741 7.291 1.00 9.32 C -ATOM 6823 CB PRO C 297 45.224 -36.868 8.437 1.00 10.63 C -ATOM 6824 CG PRO C 297 46.208 -35.933 7.801 1.00 12.71 C -ATOM 6825 CD PRO C 297 45.830 -35.850 6.332 1.00 11.01 C -ATOM 6826 C PRO C 297 43.148 -37.778 7.343 1.00 8.94 C -ATOM 6827 O PRO C 297 42.479 -36.876 6.821 1.00 10.43 O -ATOM 6828 N PHE C 298 42.576 -38.744 8.038 1.00 8.73 N -ATOM 6829 CA PHE C 298 41.124 -38.805 8.287 1.00 10.33 C -ATOM 6830 CB PHE C 298 40.743 -40.036 9.104 1.00 10.11 C -ATOM 6831 CG PHE C 298 40.846 -41.322 8.352 1.00 8.99 C -ATOM 6832 CD1 PHE C 298 40.132 -41.530 7.186 1.00 8.62 C -ATOM 6833 CE1 PHE C 298 40.264 -42.712 6.491 1.00 9.11 C -ATOM 6834 CZ PHE C 298 41.100 -43.693 6.950 1.00 8.59 C -ATOM 6835 CD2 PHE C 298 41.723 -42.299 8.773 1.00 9.57 C -ATOM 6836 CE2 PHE C 298 41.868 -43.474 8.064 1.00 9.35 C -ATOM 6837 C PHE C 298 40.674 -37.562 9.043 1.00 14.69 C -ATOM 6838 O PHE C 298 39.484 -37.211 8.899 1.00 18.45 O -ATOM 6839 OXT PHE C 298 41.464 -36.988 9.752 1.00 15.22 O -TER 6840 PHE C 298 -ATOM 6841 N ALA D 1 61.878-102.670 26.259 1.00 39.60 N -ATOM 6842 CA ALA D 1 61.317-103.194 27.542 1.00 36.89 C -ATOM 6843 CB ALA D 1 62.307-102.982 28.670 1.00 37.98 C -ATOM 6844 C ALA D 1 59.977-102.504 27.832 1.00 33.75 C -ATOM 6845 O ALA D 1 59.886-101.862 28.877 1.00 29.48 O -ATOM 6846 N GLN D 2 59.003-102.601 26.912 1.00 31.32 N -ATOM 6847 CA GLN D 2 57.597-102.141 27.113 1.00 27.53 C -ATOM 6848 CB GLN D 2 56.699-102.777 26.043 1.00 33.04 C -ATOM 6849 CG GLN D 2 55.981-101.786 25.138 1.00 34.39 C -ATOM 6850 CD GLN D 2 55.378-102.428 23.905 1.00 37.04 C -ATOM 6851 OE1 GLN D 2 54.805-103.512 23.950 1.00 40.19 O -ATOM 6852 NE2 GLN D 2 55.471-101.739 22.779 1.00 39.47 N -ATOM 6853 C GLN D 2 57.150-102.577 28.517 1.00 22.78 C -ATOM 6854 O GLN D 2 57.194-103.799 28.792 1.00 22.96 O -ATOM 6855 N GLU D 3 56.725-101.671 29.401 1.00 17.73 N -ATOM 6856 CA GLU D 3 56.178-102.085 30.730 1.00 16.62 C -ATOM 6857 CB GLU D 3 55.979-100.856 31.619 1.00 15.21 C -ATOM 6858 CG GLU D 3 54.829 -99.970 31.174 1.00 13.10 C -ATOM 6859 CD GLU D 3 54.316 -98.990 32.198 1.00 11.82 C -ATOM 6860 OE1 GLU D 3 54.477 -99.233 33.422 1.00 12.96 O -ATOM 6861 OE2 GLU D 3 53.778 -98.041 31.779 1.00 13.19 O -ATOM 6862 C GLU D 3 54.872-102.890 30.536 1.00 17.69 C -ATOM 6863 O GLU D 3 54.235-102.781 29.477 1.00 17.16 O -ATOM 6864 N SER D 4 54.431-103.643 31.555 1.00 18.48 N -ATOM 6865 CA SER D 4 53.238-104.511 31.430 1.00 19.58 C -ATOM 6866 CB SER D 4 53.676-105.881 30.939 1.00 21.00 C -ATOM 6867 OG SER D 4 54.591-106.460 31.863 1.00 24.47 O -ATOM 6868 C SER D 4 52.414-104.600 32.714 1.00 18.38 C -ATOM 6869 O SER D 4 52.069-105.698 33.136 1.00 22.99 O -ATOM 6870 N PRO D 5 51.984-103.488 33.358 1.00 16.33 N -ATOM 6871 CA PRO D 5 50.939-103.598 34.389 1.00 13.94 C -ATOM 6872 CB PRO D 5 50.836-102.160 34.919 1.00 14.64 C -ATOM 6873 CG PRO D 5 51.335-101.285 33.757 1.00 15.38 C -ATOM 6874 CD PRO D 5 52.367-102.105 33.020 1.00 15.71 C -ATOM 6875 C PRO D 5 49.618-104.064 33.765 1.00 13.71 C -ATOM 6876 O PRO D 5 49.330-103.693 32.618 1.00 14.61 O -ATOM 6877 N ALA D 6 48.824-104.826 34.524 1.00 12.87 N -ATOM 6878 CA ALA D 6 47.600-105.450 33.993 1.00 13.33 C -ATOM 6879 CB ALA D 6 47.003-106.302 35.067 1.00 13.49 C -ATOM 6880 C ALA D 6 46.629-104.359 33.564 1.00 10.53 C -ATOM 6881 O ALA D 6 45.737-104.643 32.777 1.00 13.26 O -ATOM 6882 N PHE D 7 46.732-103.142 34.140 1.00 11.82 N -ATOM 6883 CA PHE D 7 45.724-102.078 33.872 1.00 10.38 C -ATOM 6884 CB PHE D 7 45.728-100.958 34.907 1.00 11.02 C -ATOM 6885 CG PHE D 7 46.896-100.003 34.935 1.00 11.45 C -ATOM 6886 CD1 PHE D 7 46.964 -98.913 34.076 1.00 11.75 C -ATOM 6887 CE1 PHE D 7 48.019 -98.015 34.128 1.00 12.71 C -ATOM 6888 CZ PHE D 7 49.009 -98.151 35.049 1.00 13.90 C -ATOM 6889 CD2 PHE D 7 47.917-100.127 35.865 1.00 13.43 C -ATOM 6890 CE2 PHE D 7 48.971 -99.225 35.905 1.00 13.51 C -ATOM 6891 C PHE D 7 45.910-101.476 32.478 1.00 9.29 C -ATOM 6892 O PHE D 7 44.989-100.803 32.034 1.00 10.52 O -ATOM 6893 N ILE D 8 47.001-101.813 31.784 1.00 10.06 N -ATOM 6894 CA ILE D 8 47.216-101.376 30.371 1.00 9.89 C -ATOM 6895 CB ILE D 8 48.641-100.864 30.121 1.00 10.66 C -ATOM 6896 CG1 ILE D 8 48.948 -99.742 31.107 1.00 11.97 C -ATOM 6897 CG2 ILE D 8 48.788-100.443 28.664 1.00 11.32 C -ATOM 6898 CD1 ILE D 8 50.339 -99.208 30.984 1.00 11.66 C -ATOM 6899 C ILE D 8 46.813-102.498 29.423 1.00 9.46 C -ATOM 6900 O ILE D 8 47.487-103.569 29.385 1.00 10.74 O -ATOM 6901 N ASP D 9 45.818-102.276 28.610 1.00 10.12 N -ATOM 6902 CA ASP D 9 45.521-103.241 27.524 1.00 10.51 C -ATOM 6903 CB ASP D 9 44.247-102.813 26.821 1.00 12.04 C -ATOM 6904 CG ASP D 9 43.784-103.684 25.678 1.00 12.19 C -ATOM 6905 OD1 ASP D 9 44.610-104.473 25.180 1.00 12.80 O -ATOM 6906 OD2 ASP D 9 42.629-103.512 25.278 1.00 14.03 O -ATOM 6907 C ASP D 9 46.703-103.244 26.576 1.00 11.01 C -ATOM 6908 O ASP D 9 47.023-102.184 26.031 1.00 11.82 O -ATOM 6909 N PRO D 10 47.363-104.401 26.313 1.00 13.28 N -ATOM 6910 CA PRO D 10 48.520-104.422 25.422 1.00 12.41 C -ATOM 6911 CB PRO D 10 48.850-105.926 25.333 1.00 14.02 C -ATOM 6912 CG PRO D 10 48.400-106.465 26.654 1.00 15.61 C -ATOM 6913 CD PRO D 10 47.102-105.728 26.921 1.00 14.20 C -ATOM 6914 C PRO D 10 48.230-103.839 24.035 1.00 10.51 C -ATOM 6915 O PRO D 10 49.188-103.413 23.420 1.00 11.55 O -ATOM 6916 N ALA D 11 46.997-103.924 23.556 1.00 11.46 N -ATOM 6917 CA ALA D 11 46.603-103.367 22.243 1.00 11.71 C -ATOM 6918 CB ALA D 11 45.146-103.596 21.992 1.00 12.13 C -ATOM 6919 C ALA D 11 46.945-101.869 22.203 1.00 11.14 C -ATOM 6920 O ALA D 11 47.144-101.326 21.095 1.00 10.87 O -ATOM 6921 N SER D 12 47.044-101.191 23.361 1.00 10.52 N -ATOM 6922 CA SER D 12 47.328 -99.743 23.453 1.00 10.36 C -ATOM 6923 CB SER D 12 47.385 -99.282 24.887 1.00 10.80 C -ATOM 6924 OG SER D 12 46.189 -99.544 25.585 1.00 10.51 O -ATOM 6925 C SER D 12 48.656 -99.458 22.776 1.00 10.28 C -ATOM 6926 O SER D 12 48.803 -98.356 22.209 1.00 10.15 O -ATOM 6927 N TRP D 13 49.643-100.328 22.874 1.00 9.99 N -ATOM 6928 CA TRP D 13 51.033 -99.979 22.484 1.00 10.19 C -ATOM 6929 CB TRP D 13 51.999-101.104 22.836 1.00 10.77 C -ATOM 6930 CG TRP D 13 52.162-101.217 24.314 1.00 12.11 C -ATOM 6931 CD1 TRP D 13 51.670-102.183 25.139 1.00 12.03 C -ATOM 6932 NE1 TRP D 13 52.061-101.940 26.426 1.00 12.80 N -ATOM 6933 CE2 TRP D 13 52.796-100.790 26.474 1.00 12.53 C -ATOM 6934 CD2 TRP D 13 52.856-100.289 25.156 1.00 11.52 C -ATOM 6935 CE3 TRP D 13 53.556 -99.105 24.908 1.00 12.00 C -ATOM 6936 CZ3 TRP D 13 54.174 -98.463 25.955 1.00 12.67 C -ATOM 6937 CH2 TRP D 13 54.086 -98.963 27.250 1.00 13.43 C -ATOM 6938 CZ2 TRP D 13 53.362-100.100 27.543 1.00 12.58 C -ATOM 6939 C TRP D 13 51.100 -99.640 21.007 1.00 9.67 C -ATOM 6940 O TRP D 13 51.907 -98.770 20.646 1.00 11.19 O -ATOM 6941 N ASN D 14 50.341-100.328 20.164 1.00 8.68 N -ATOM 6942 CA ASN D 14 50.374-100.128 18.708 1.00 9.25 C -ATOM 6943 CB ASN D 14 49.941-101.411 17.984 1.00 10.73 C -ATOM 6944 CG ASN D 14 50.823-102.598 18.312 1.00 11.70 C -ATOM 6945 OD1 ASN D 14 50.335-103.704 18.647 1.00 16.26 O -ATOM 6946 ND2 ASN D 14 52.116-102.345 18.211 1.00 12.49 N -ATOM 6947 C ASN D 14 49.390 -99.045 18.271 1.00 8.45 C -ATOM 6948 O ASN D 14 49.262 -98.823 17.076 1.00 9.75 O -ATOM 6949 N THR D 15 48.672 -98.432 19.209 1.00 8.99 N -ATOM 6950 CA THR D 15 47.581 -97.484 18.912 1.00 8.40 C -ATOM 6951 CB THR D 15 46.442 -97.679 19.909 1.00 8.37 C -ATOM 6952 OG1 THR D 15 46.032 -99.038 19.845 1.00 9.32 O -ATOM 6953 CG2 THR D 15 45.219 -96.857 19.608 1.00 9.25 C -ATOM 6954 C THR D 15 48.140 -96.061 18.965 1.00 7.57 C -ATOM 6955 O THR D 15 48.846 -95.710 19.912 1.00 8.33 O -ATOM 6956 N PRO D 16 47.826 -95.192 17.990 1.00 7.42 N -ATOM 6957 CA PRO D 16 48.102 -93.758 18.110 1.00 7.44 C -ATOM 6958 CB PRO D 16 47.307 -93.140 16.948 1.00 7.99 C -ATOM 6959 CG PRO D 16 47.342 -94.240 15.919 1.00 8.60 C -ATOM 6960 CD PRO D 16 47.096 -95.480 16.752 1.00 7.98 C -ATOM 6961 C PRO D 16 47.614 -93.221 19.460 1.00 7.51 C -ATOM 6962 O PRO D 16 46.525 -93.607 19.901 1.00 7.12 O -ATOM 6963 N PHE D 17 48.349 -92.293 20.050 1.00 6.88 N -ATOM 6964 CA PHE D 17 47.995 -91.798 21.400 1.00 7.41 C -ATOM 6965 CB PHE D 17 49.027 -90.757 21.833 1.00 7.33 C -ATOM 6966 CG PHE D 17 48.857 -90.291 23.258 1.00 7.67 C -ATOM 6967 CD1 PHE D 17 49.205 -91.127 24.308 1.00 7.57 C -ATOM 6968 CE1 PHE D 17 49.065 -90.703 25.615 1.00 8.32 C -ATOM 6969 CZ PHE D 17 48.598 -89.432 25.887 1.00 8.20 C -ATOM 6970 CD2 PHE D 17 48.380 -89.018 23.545 1.00 7.74 C -ATOM 6971 CE2 PHE D 17 48.243 -88.606 24.866 1.00 8.49 C -ATOM 6972 C PHE D 17 46.573 -91.234 21.437 1.00 6.99 C -ATOM 6973 O PHE D 17 45.836 -91.409 22.424 1.00 6.99 O -ATOM 6974 N ASN D 18 46.147 -90.564 20.370 1.00 6.53 N -ATOM 6975 CA ASN D 18 44.775 -90.011 20.261 1.00 6.96 C -ATOM 6976 CB ASN D 18 44.688 -89.039 19.075 1.00 7.12 C -ATOM 6977 CG ASN D 18 45.057 -89.682 17.735 1.00 7.60 C -ATOM 6978 OD1 ASN D 18 46.191 -90.153 17.538 1.00 7.89 O -ATOM 6979 ND2 ASN D 18 44.116 -89.697 16.829 1.00 8.85 N -ATOM 6980 C ASN D 18 43.687 -91.069 20.163 1.00 7.15 C -ATOM 6981 O ASN D 18 42.536 -90.721 20.366 1.00 7.66 O -ATOM 6982 N GLY D 19 44.049 -92.307 19.868 1.00 7.41 N -ATOM 6983 CA GLY D 19 43.118 -93.454 19.824 1.00 7.67 C -ATOM 6984 C GLY D 19 43.042 -94.202 21.139 1.00 6.89 C -ATOM 6985 O GLY D 19 42.430 -95.293 21.141 1.00 7.55 O -ATOM 6986 N ILE D 20 43.670 -93.711 22.194 1.00 6.91 N -ATOM 6987 CA ILE D 20 43.733 -94.424 23.491 1.00 7.09 C -ATOM 6988 CB ILE D 20 45.171 -94.553 23.967 1.00 7.26 C -ATOM 6989 CG1 ILE D 20 45.997 -95.330 22.950 1.00 8.05 C -ATOM 6990 CG2 ILE D 20 45.210 -95.170 25.358 1.00 7.75 C -ATOM 6991 CD1 ILE D 20 47.463 -95.366 23.277 1.00 7.88 C -ATOM 6992 C ILE D 20 42.875 -93.697 24.513 1.00 6.78 C -ATOM 6993 O ILE D 20 43.007 -92.434 24.704 1.00 6.90 O -ATOM 6994 N ALA D 21 42.034 -94.435 25.207 1.00 7.16 N -ATOM 6995 CA ALA D 21 41.237 -93.958 26.362 1.00 6.96 C -ATOM 6996 CB ALA D 21 39.880 -94.580 26.348 1.00 6.87 C -ATOM 6997 C ALA D 21 41.964 -94.298 27.643 1.00 7.08 C -ATOM 6998 O ALA D 21 42.518 -95.418 27.812 1.00 7.67 O -ATOM 6999 N GLN D 22 41.898 -93.375 28.600 1.00 6.94 N -ATOM 7000 CA GLN D 22 42.561 -93.550 29.893 1.00 7.26 C -ATOM 7001 CB GLN D 22 43.819 -92.697 29.997 1.00 7.16 C -ATOM 7002 CG GLN D 22 44.806 -92.925 28.880 1.00 7.39 C -ATOM 7003 CD GLN D 22 46.109 -92.217 29.189 1.00 7.60 C -ATOM 7004 OE1 GLN D 22 46.628 -92.204 30.328 1.00 8.95 O -ATOM 7005 NE2 GLN D 22 46.665 -91.558 28.177 1.00 7.81 N -ATOM 7006 C GLN D 22 41.685 -93.060 31.034 1.00 7.00 C -ATOM 7007 O GLN D 22 40.955 -92.051 30.908 1.00 7.82 O -ATOM 7008 N VAL D 23 41.794 -93.756 32.148 1.00 7.29 N -ATOM 7009 CA VAL D 23 41.437 -93.204 33.473 1.00 7.49 C -ATOM 7010 CB VAL D 23 41.214 -94.331 34.486 1.00 7.48 C -ATOM 7011 CG1 VAL D 23 40.888 -93.791 35.853 1.00 7.93 C -ATOM 7012 CG2 VAL D 23 40.160 -95.308 34.032 1.00 8.38 C -ATOM 7013 C VAL D 23 42.564 -92.293 33.902 1.00 6.95 C -ATOM 7014 O VAL D 23 43.731 -92.700 33.905 1.00 7.59 O -ATOM 7015 N ALA D 24 42.206 -91.057 34.230 1.00 6.85 N -ATOM 7016 CA ALA D 24 43.164 -90.073 34.762 1.00 6.87 C -ATOM 7017 CB ALA D 24 43.090 -88.829 33.902 1.00 7.00 C -ATOM 7018 C ALA D 24 42.767 -89.732 36.190 1.00 6.85 C -ATOM 7019 O ALA D 24 41.631 -89.965 36.610 1.00 7.61 O -ATOM 7020 N CYS D 25 43.727 -89.219 36.931 1.00 7.49 N -ATOM 7021 CA CYS D 25 43.359 -88.714 38.281 1.00 8.57 C -ATOM 7022 CB CYS D 25 44.575 -88.604 39.172 1.00 9.52 C -ATOM 7023 SG CYS D 25 45.445 -87.028 39.091 1.00 10.43 S -ATOM 7024 C CYS D 25 42.665 -87.363 38.189 1.00 8.76 C -ATOM 7025 O CYS D 25 42.751 -86.721 37.122 1.00 11.77 O -ATOM 7026 N HIS D 26 42.027 -86.929 39.251 1.00 7.66 N -ATOM 7027 CA HIS D 26 41.603 -85.526 39.388 1.00 7.81 C -ATOM 7028 CB HIS D 26 40.098 -85.482 39.384 1.00 8.16 C -ATOM 7029 CG HIS D 26 39.544 -84.099 39.311 1.00 9.33 C -ATOM 7030 ND1 HIS D 26 38.212 -83.864 39.179 1.00 9.82 N -ATOM 7031 CE1 HIS D 26 38.012 -82.539 39.147 1.00 10.86 C -ATOM 7032 NE2 HIS D 26 39.164 -81.926 39.212 1.00 12.03 N -ATOM 7033 CD2 HIS D 26 40.148 -82.881 39.293 1.00 10.65 C -ATOM 7034 C HIS D 26 42.250 -85.007 40.654 1.00 7.20 C -ATOM 7035 O HIS D 26 41.877 -85.448 41.773 1.00 7.73 O -ATOM 7036 N ASN D 27 43.153 -84.048 40.526 1.00 6.87 N -ATOM 7037 CA ASN D 27 43.747 -83.370 41.705 1.00 7.96 C -ATOM 7038 CB ASN D 27 42.722 -82.503 42.457 1.00 8.04 C -ATOM 7039 CG ASN D 27 42.330 -81.278 41.625 1.00 9.21 C -ATOM 7040 OD1 ASN D 27 42.969 -80.873 40.669 1.00 8.50 O -ATOM 7041 ND2 ASN D 27 41.169 -80.718 41.919 1.00 12.64 N -ATOM 7042 C ASN D 27 44.465 -84.368 42.614 1.00 7.65 C -ATOM 7043 O ASN D 27 44.432 -84.219 43.833 1.00 8.40 O -ATOM 7044 N CYS D 28 45.174 -85.337 42.038 1.00 7.73 N -ATOM 7045 CA CYS D 28 45.767 -86.419 42.873 1.00 8.30 C -ATOM 7046 CB CYS D 28 46.042 -87.678 42.077 1.00 9.25 C -ATOM 7047 SG CYS D 28 47.010 -87.446 40.583 1.00 10.97 S -ATOM 7048 C CYS D 28 47.031 -85.977 43.598 1.00 8.64 C -ATOM 7049 O CYS D 28 47.607 -86.825 44.304 1.00 9.55 O -ATOM 7050 N TYR D 29 47.428 -84.716 43.514 1.00 8.22 N -ATOM 7051 CA TYR D 29 48.447 -84.124 44.424 1.00 8.11 C -ATOM 7052 CB TYR D 29 48.957 -82.794 43.876 1.00 8.54 C -ATOM 7053 CG TYR D 29 47.891 -81.734 43.925 1.00 8.69 C -ATOM 7054 CD1 TYR D 29 47.714 -80.957 45.058 1.00 8.52 C -ATOM 7055 CE1 TYR D 29 46.666 -80.064 45.165 1.00 8.17 C -ATOM 7056 CZ TYR D 29 45.790 -79.894 44.110 1.00 8.58 C -ATOM 7057 OH TYR D 29 44.750 -79.002 44.236 1.00 9.26 O -ATOM 7058 CE2 TYR D 29 45.992 -80.623 42.951 1.00 8.63 C -ATOM 7059 CD2 TYR D 29 47.010 -81.544 42.865 1.00 7.89 C -ATOM 7060 C TYR D 29 47.857 -83.931 45.841 1.00 8.08 C -ATOM 7061 O TYR D 29 48.642 -83.662 46.753 1.00 8.67 O -ATOM 7062 N GLU D 30 46.559 -83.976 46.021 1.00 8.37 N -ATOM 7063 CA GLU D 30 45.944 -83.812 47.353 1.00 8.87 C -ATOM 7064 CB GLU D 30 44.482 -83.409 47.245 1.00 9.06 C -ATOM 7065 CG GLU D 30 44.293 -82.083 46.561 1.00 10.06 C -ATOM 7066 CD GLU D 30 42.845 -81.653 46.688 1.00 10.13 C -ATOM 7067 OE1 GLU D 30 42.362 -81.501 47.866 1.00 11.54 O -ATOM 7068 OE2 GLU D 30 42.177 -81.430 45.669 1.00 11.60 O -ATOM 7069 C GLU D 30 46.095 -85.095 48.159 1.00 9.87 C -ATOM 7070 O GLU D 30 45.818 -86.178 47.688 1.00 9.94 O -ATOM 7071 N LYS D 31 46.434 -84.934 49.435 1.00 11.11 N -ATOM 7072 CA LYS D 31 46.589 -86.062 50.387 1.00 11.89 C -ATOM 7073 CB LYS D 31 47.056 -85.562 51.754 1.00 13.51 C -ATOM 7074 CG LYS D 31 48.400 -84.852 51.751 1.00 16.00 C -ATOM 7075 CD LYS D 31 48.751 -84.273 53.090 1.00 18.66 C -ATOM 7076 CE LYS D 31 50.171 -83.766 53.111 1.00 20.05 C -ATOM 7077 NZ LYS D 31 50.467 -83.051 54.376 1.00 22.65 N -ATOM 7078 C LYS D 31 45.290 -86.857 50.483 1.00 11.49 C -ATOM 7079 O LYS D 31 45.361 -88.051 50.706 1.00 13.37 O -ATOM 7080 N GLN D 32 44.126 -86.243 50.334 1.00 10.82 N -ATOM 7081 CA GLN D 32 42.846 -87.001 50.459 1.00 11.14 C -ATOM 7082 CB GLN D 32 41.615 -86.092 50.518 1.00 10.90 C -ATOM 7083 CG GLN D 32 41.413 -85.216 49.274 1.00 10.38 C -ATOM 7084 CD GLN D 32 40.089 -84.463 49.332 1.00 10.90 C -ATOM 7085 OE1 GLN D 32 39.011 -84.973 49.646 1.00 13.50 O -ATOM 7086 NE2 GLN D 32 40.119 -83.218 48.906 1.00 11.90 N -ATOM 7087 C GLN D 32 42.652 -88.010 49.313 1.00 10.79 C -ATOM 7088 O GLN D 32 41.742 -88.880 49.418 1.00 12.45 O -ATOM 7089 N TYR D 33 43.419 -87.899 48.207 1.00 11.00 N -ATOM 7090 CA TYR D 33 43.239 -88.809 47.036 1.00 10.67 C -ATOM 7091 CB TYR D 33 43.012 -88.066 45.720 1.00 10.53 C -ATOM 7092 CG TYR D 33 41.853 -87.102 45.815 1.00 9.69 C -ATOM 7093 CD1 TYR D 33 40.597 -87.484 46.253 1.00 10.36 C -ATOM 7094 CE1 TYR D 33 39.559 -86.566 46.339 1.00 11.34 C -ATOM 7095 CZ TYR D 33 39.768 -85.238 46.009 1.00 10.79 C -ATOM 7096 OH TYR D 33 38.741 -84.335 46.129 1.00 11.98 O -ATOM 7097 CE2 TYR D 33 41.011 -84.831 45.578 1.00 11.34 C -ATOM 7098 CD2 TYR D 33 42.041 -85.749 45.503 1.00 10.03 C -ATOM 7099 C TYR D 33 44.383 -89.808 46.876 1.00 10.97 C -ATOM 7100 O TYR D 33 44.154 -90.811 46.169 1.00 12.43 O -ATOM 7101 N ALA D 34 45.536 -89.575 47.469 1.00 10.27 N -ATOM 7102 CA ALA D 34 46.654 -90.530 47.389 1.00 11.09 C -ATOM 7103 CB ALA D 34 47.307 -90.465 46.044 1.00 10.70 C -ATOM 7104 C ALA D 34 47.644 -90.207 48.482 1.00 11.06 C -ATOM 7105 O ALA D 34 47.780 -89.063 48.873 1.00 11.47 O -ATOM 7106 N ASN D 35 48.292 -91.258 48.983 1.00 11.78 N -ATOM 7107 CA ASN D 35 49.196 -91.139 50.143 1.00 14.45 C -ATOM 7108 CB ASN D 35 49.381 -92.508 50.821 1.00 14.15 C -ATOM 7109 CG ASN D 35 48.099 -93.155 51.341 1.00 15.54 C -ATOM 7110 OD1 ASN D 35 47.100 -92.477 51.613 1.00 17.70 O -ATOM 7111 ND2 ASN D 35 48.084 -94.476 51.480 1.00 18.06 N -ATOM 7112 C ASN D 35 50.500 -90.467 49.690 1.00 13.62 C -ATOM 7113 O ASN D 35 51.080 -89.693 50.440 1.00 15.70 O -ATOM 7114 N THR D 36 50.968 -90.690 48.454 1.00 12.05 N -ATOM 7115 CA THR D 36 52.093 -89.959 47.835 1.00 12.14 C -ATOM 7116 CB THR D 36 53.431 -90.706 47.886 1.00 12.17 C -ATOM 7117 OG1 THR D 36 53.289 -91.810 46.990 1.00 11.81 O -ATOM 7118 CG2 THR D 36 53.810 -91.174 49.275 1.00 14.15 C -ATOM 7119 C THR D 36 51.712 -89.672 46.379 1.00 11.35 C -ATOM 7120 O THR D 36 50.955 -90.445 45.791 1.00 10.50 O -ATOM 7121 N PHE D 37 52.315 -88.660 45.797 1.00 10.93 N -ATOM 7122 CA PHE D 37 52.092 -88.366 44.361 1.00 9.52 C -ATOM 7123 CB PHE D 37 52.774 -87.054 43.984 1.00 9.46 C -ATOM 7124 CG PHE D 37 52.309 -86.468 42.678 1.00 9.75 C -ATOM 7125 CD1 PHE D 37 50.977 -86.229 42.415 1.00 9.79 C -ATOM 7126 CE1 PHE D 37 50.591 -85.639 41.215 1.00 10.23 C -ATOM 7127 CZ PHE D 37 51.529 -85.304 40.269 1.00 10.39 C -ATOM 7128 CD2 PHE D 37 53.227 -86.119 41.724 1.00 9.72 C -ATOM 7129 CE2 PHE D 37 52.849 -85.553 40.511 1.00 9.94 C -ATOM 7130 C PHE D 37 52.578 -89.538 43.517 1.00 10.63 C -ATOM 7131 O PHE D 37 51.871 -89.994 42.582 1.00 10.50 O -ATOM 7132 N SER D 38 53.754 -90.043 43.852 1.00 9.96 N -ATOM 7133 CA SER D 38 54.386 -91.156 43.100 1.00 12.09 C -ATOM 7134 CB SER D 38 55.819 -91.396 43.555 1.00 15.70 C -ATOM 7135 OG SER D 38 55.892 -92.038 44.808 1.00 23.78 O -ATOM 7136 C SER D 38 53.463 -92.390 43.109 1.00 11.03 C -ATOM 7137 O SER D 38 53.316 -93.093 42.069 1.00 11.49 O -ATOM 7138 N SER D 39 52.746 -92.648 44.190 1.00 11.59 N -ATOM 7139 CA SER D 39 51.904 -93.860 44.303 1.00 12.50 C -ATOM 7140 CB SER D 39 51.361 -94.007 45.717 1.00 13.19 C -ATOM 7141 OG SER D 39 50.334 -93.086 45.962 1.00 16.71 O -ATOM 7142 C SER D 39 50.799 -93.857 43.253 1.00 11.40 C -ATOM 7143 O SER D 39 50.327 -94.961 42.933 1.00 11.77 O -ATOM 7144 N VAL D 40 50.394 -92.701 42.744 1.00 10.35 N -ATOM 7145 CA VAL D 40 49.324 -92.619 41.706 1.00 9.64 C -ATOM 7146 CB VAL D 40 49.040 -91.151 41.359 1.00 9.01 C -ATOM 7147 CG1 VAL D 40 48.038 -91.052 40.225 1.00 9.51 C -ATOM 7148 CG2 VAL D 40 48.574 -90.379 42.597 1.00 9.53 C -ATOM 7149 C VAL D 40 49.718 -93.459 40.490 1.00 8.99 C -ATOM 7150 O VAL D 40 48.847 -94.018 39.819 1.00 9.44 O -ATOM 7151 N LEU D 41 51.003 -93.445 40.183 1.00 9.00 N -ATOM 7152 CA LEU D 41 51.543 -94.184 39.016 1.00 10.63 C -ATOM 7153 CB LEU D 41 52.949 -93.677 38.721 1.00 10.65 C -ATOM 7154 CG LEU D 41 52.959 -92.257 38.155 1.00 10.92 C -ATOM 7155 CD1 LEU D 41 54.293 -91.577 38.321 1.00 11.61 C -ATOM 7156 CD2 LEU D 41 52.604 -92.260 36.681 1.00 10.67 C -ATOM 7157 C LEU D 41 51.488 -95.697 39.264 1.00 11.12 C -ATOM 7158 O LEU D 41 51.762 -96.454 38.286 1.00 12.51 O -ATOM 7159 N ASP D 42 51.038 -96.175 40.422 1.00 11.25 N -ATOM 7160 CA ASP D 42 50.697 -97.626 40.562 1.00 12.14 C -ATOM 7161 CB ASP D 42 50.652 -98.000 42.047 1.00 13.30 C -ATOM 7162 CG ASP D 42 51.989 -97.871 42.784 1.00 14.01 C -ATOM 7163 OD1 ASP D 42 53.026 -97.750 42.142 1.00 15.97 O -ATOM 7164 OD2 ASP D 42 51.973 -97.960 44.015 1.00 17.39 O -ATOM 7165 C ASP D 42 49.386 -97.933 39.820 1.00 11.86 C -ATOM 7166 O ASP D 42 49.132 -99.127 39.522 1.00 12.75 O -ATOM 7167 N SER D 43 48.575 -96.918 39.484 1.00 10.52 N -ATOM 7168 CA SER D 43 47.217 -97.158 38.938 1.00 9.89 C -ATOM 7169 CB SER D 43 46.171 -96.680 39.912 1.00 10.90 C -ATOM 7170 OG SER D 43 46.294 -97.296 41.203 1.00 13.70 O -ATOM 7171 C SER D 43 46.953 -96.514 37.566 1.00 8.91 C -ATOM 7172 O SER D 43 46.100 -97.003 36.865 1.00 9.30 O -ATOM 7173 N VAL D 44 47.543 -95.352 37.291 1.00 9.24 N -ATOM 7174 CA VAL D 44 47.231 -94.579 36.052 1.00 8.91 C -ATOM 7175 CB VAL D 44 46.179 -93.486 36.320 1.00 8.84 C -ATOM 7176 CG1 VAL D 44 44.843 -94.078 36.707 1.00 9.83 C -ATOM 7177 CG2 VAL D 44 46.641 -92.438 37.335 1.00 9.49 C -ATOM 7178 C VAL D 44 48.528 -93.967 35.523 1.00 8.32 C -ATOM 7179 O VAL D 44 49.553 -93.977 36.196 1.00 8.49 O -ATOM 7180 N ARG D 45 48.408 -93.368 34.345 1.00 8.72 N -ATOM 7181 CA ARG D 45 49.525 -92.688 33.651 1.00 7.90 C -ATOM 7182 CB ARG D 45 49.855 -93.442 32.354 1.00 8.18 C -ATOM 7183 CG ARG D 45 50.456 -94.825 32.611 1.00 8.95 C -ATOM 7184 CD ARG D 45 51.910 -94.775 32.990 1.00 8.33 C -ATOM 7185 NE ARG D 45 52.420 -96.092 33.453 1.00 9.14 N -ATOM 7186 CZ ARG D 45 52.337 -96.547 34.702 1.00 9.70 C -ATOM 7187 NH1 ARG D 45 51.768 -95.825 35.642 1.00 9.46 N -ATOM 7188 NH2 ARG D 45 52.801 -97.746 35.014 1.00 9.24 N -ATOM 7189 C ARG D 45 49.201 -91.228 33.357 1.00 7.25 C -ATOM 7190 O ARG D 45 49.980 -90.584 32.685 1.00 8.49 O -ATOM 7191 N THR D 46 48.126 -90.677 33.930 1.00 7.99 N -ATOM 7192 CA THR D 46 47.742 -89.250 33.728 1.00 8.22 C -ATOM 7193 CB THR D 46 46.582 -89.117 32.743 1.00 8.09 C -ATOM 7194 OG1 THR D 46 47.008 -89.593 31.463 1.00 8.54 O -ATOM 7195 CG2 THR D 46 46.106 -87.684 32.568 1.00 7.67 C -ATOM 7196 C THR D 46 47.443 -88.671 35.102 1.00 7.82 C -ATOM 7197 O THR D 46 46.540 -89.149 35.798 1.00 8.10 O -ATOM 7198 N LEU D 47 48.226 -87.649 35.451 1.00 7.57 N -ATOM 7199 CA LEU D 47 48.257 -87.038 36.803 1.00 8.46 C -ATOM 7200 CB LEU D 47 49.608 -87.239 37.493 1.00 10.31 C -ATOM 7201 CG LEU D 47 49.934 -88.639 38.019 1.00 13.66 C -ATOM 7202 CD1 LEU D 47 49.864 -89.760 36.998 1.00 16.30 C -ATOM 7203 CD2 LEU D 47 51.297 -88.623 38.678 1.00 14.19 C -ATOM 7204 C LEU D 47 47.913 -85.537 36.677 1.00 8.07 C -ATOM 7205 O LEU D 47 47.641 -85.034 35.562 1.00 9.51 O -ATOM 7206 N GLU D 48 47.794 -84.862 37.811 1.00 7.53 N -ATOM 7207 CA GLU D 48 47.373 -83.439 37.851 1.00 7.31 C -ATOM 7208 CB GLU D 48 45.853 -83.314 37.958 1.00 7.62 C -ATOM 7209 CG GLU D 48 45.346 -81.872 37.939 1.00 7.54 C -ATOM 7210 CD GLU D 48 43.841 -81.766 37.793 1.00 7.62 C -ATOM 7211 OE1 GLU D 48 43.135 -82.774 37.972 1.00 8.18 O -ATOM 7212 OE2 GLU D 48 43.379 -80.619 37.533 1.00 8.82 O -ATOM 7213 C GLU D 48 48.063 -82.711 39.007 1.00 7.27 C -ATOM 7214 O GLU D 48 48.117 -83.301 40.124 1.00 8.07 O -ATOM 7215 N LEU D 49 48.501 -81.483 38.726 1.00 7.25 N -ATOM 7216 CA LEU D 49 49.092 -80.566 39.727 1.00 7.78 C -ATOM 7217 CB LEU D 49 50.595 -80.416 39.470 1.00 7.88 C -ATOM 7218 CG LEU D 49 51.381 -81.685 39.753 1.00 8.08 C -ATOM 7219 CD1 LEU D 49 52.735 -81.681 39.070 1.00 9.42 C -ATOM 7220 CD2 LEU D 49 51.552 -81.890 41.248 1.00 8.29 C -ATOM 7221 C LEU D 49 48.437 -79.210 39.598 1.00 7.74 C -ATOM 7222 O LEU D 49 48.383 -78.685 38.494 1.00 8.84 O -ATOM 7223 N ASP D 50 47.985 -78.661 40.704 1.00 7.27 N -ATOM 7224 CA ASP D 50 47.441 -77.289 40.774 1.00 7.61 C -ATOM 7225 CB ASP D 50 46.262 -77.138 41.722 1.00 8.13 C -ATOM 7226 CG ASP D 50 44.959 -77.827 41.298 1.00 8.36 C -ATOM 7227 OD1 ASP D 50 44.883 -78.254 40.148 1.00 9.34 O -ATOM 7228 OD2 ASP D 50 44.011 -77.866 42.103 1.00 9.18 O -ATOM 7229 C ASP D 50 48.602 -76.423 41.221 1.00 6.88 C -ATOM 7230 O ASP D 50 49.131 -76.654 42.310 1.00 7.40 O -ATOM 7231 N PHE D 51 48.991 -75.430 40.447 1.00 6.78 N -ATOM 7232 CA PHE D 51 50.211 -74.656 40.770 1.00 6.56 C -ATOM 7233 CB PHE D 51 51.368 -75.019 39.853 1.00 6.78 C -ATOM 7234 CG PHE D 51 51.330 -74.530 38.436 1.00 6.96 C -ATOM 7235 CD1 PHE D 51 50.567 -75.173 37.473 1.00 6.63 C -ATOM 7236 CE1 PHE D 51 50.569 -74.739 36.161 1.00 6.82 C -ATOM 7237 CZ PHE D 51 51.299 -73.634 35.806 1.00 7.29 C -ATOM 7238 CD2 PHE D 51 52.034 -73.402 38.073 1.00 7.46 C -ATOM 7239 CE2 PHE D 51 52.011 -72.951 36.775 1.00 7.84 C -ATOM 7240 C PHE D 51 49.922 -73.160 40.848 1.00 6.15 C -ATOM 7241 O PHE D 51 49.156 -72.572 40.017 1.00 6.66 O -ATOM 7242 N TRP D 52 50.605 -72.531 41.800 1.00 6.44 N -ATOM 7243 CA TRP D 52 50.349 -71.134 42.237 1.00 6.81 C -ATOM 7244 CB TRP D 52 49.815 -71.112 43.660 1.00 7.26 C -ATOM 7245 CG TRP D 52 48.505 -71.811 43.821 1.00 7.32 C -ATOM 7246 CD1 TRP D 52 48.277 -73.160 43.899 1.00 7.34 C -ATOM 7247 NE1 TRP D 52 46.940 -73.404 44.038 1.00 8.01 N -ATOM 7248 CE2 TRP D 52 46.281 -72.225 44.063 1.00 8.14 C -ATOM 7249 CD2 TRP D 52 47.217 -71.172 43.935 1.00 7.64 C -ATOM 7250 CE3 TRP D 52 46.769 -69.847 43.964 1.00 8.23 C -ATOM 7251 CZ3 TRP D 52 45.413 -69.624 44.025 1.00 9.45 C -ATOM 7252 CH2 TRP D 52 44.528 -70.685 44.171 1.00 10.34 C -ATOM 7253 CZ2 TRP D 52 44.919 -71.988 44.146 1.00 9.60 C -ATOM 7254 C TRP D 52 51.648 -70.372 42.185 1.00 6.68 C -ATOM 7255 O TRP D 52 52.715 -70.913 42.521 1.00 6.92 O -ATOM 7256 N ASP D 53 51.559 -69.137 41.736 1.00 6.14 N -ATOM 7257 CA ASP D 53 52.735 -68.235 41.761 1.00 6.61 C -ATOM 7258 CB ASP D 53 52.468 -66.981 40.924 1.00 6.49 C -ATOM 7259 CG ASP D 53 52.569 -67.251 39.433 1.00 6.67 C -ATOM 7260 OD1 ASP D 53 51.996 -68.269 38.959 1.00 7.34 O -ATOM 7261 OD2 ASP D 53 53.299 -66.508 38.771 1.00 7.16 O -ATOM 7262 C ASP D 53 53.085 -67.801 43.190 1.00 6.92 C -ATOM 7263 O ASP D 53 54.270 -67.689 43.518 1.00 8.21 O -ATOM 7264 N GLN D 54 52.075 -67.510 43.971 1.00 6.63 N -ATOM 7265 CA GLN D 54 52.239 -66.828 45.271 1.00 7.72 C -ATOM 7266 CB GLN D 54 51.161 -65.753 45.460 1.00 9.48 C -ATOM 7267 CG GLN D 54 50.925 -64.765 44.339 1.00 11.72 C -ATOM 7268 CD GLN D 54 52.090 -63.811 44.265 1.00 13.53 C -ATOM 7269 OE1 GLN D 54 52.990 -63.728 45.124 1.00 14.74 O -ATOM 7270 NE2 GLN D 54 52.090 -63.007 43.220 1.00 20.31 N -ATOM 7271 C GLN D 54 52.080 -67.863 46.374 1.00 6.83 C -ATOM 7272 O GLN D 54 51.422 -68.900 46.195 1.00 6.87 O -ATOM 7273 N ARG D 55 52.616 -67.566 47.551 1.00 7.05 N -ATOM 7274 CA ARG D 55 52.354 -68.349 48.770 1.00 6.88 C -ATOM 7275 CB ARG D 55 53.258 -67.833 49.891 1.00 7.54 C -ATOM 7276 CG ARG D 55 53.166 -68.690 51.148 1.00 8.95 C -ATOM 7277 CD ARG D 55 54.150 -68.242 52.211 1.00 10.45 C -ATOM 7278 NE ARG D 55 55.492 -68.559 51.776 1.00 12.34 N -ATOM 7279 CZ ARG D 55 56.022 -69.800 51.761 1.00 13.32 C -ATOM 7280 NH1 ARG D 55 55.335 -70.818 52.250 1.00 14.22 N -ATOM 7281 NH2 ARG D 55 57.240 -70.013 51.303 1.00 15.04 N -ATOM 7282 C ARG D 55 50.875 -68.274 49.132 1.00 6.80 C -ATOM 7283 O ARG D 55 50.331 -69.282 49.623 1.00 7.23 O -ATOM 7284 N ASP D 56 50.210 -67.140 48.895 1.00 7.40 N -ATOM 7285 CA ASP D 56 48.766 -67.007 49.137 1.00 7.90 C -ATOM 7286 CB ASP D 56 48.457 -66.284 50.451 1.00 7.54 C -ATOM 7287 CG ASP D 56 49.057 -64.904 50.580 1.00 7.53 C -ATOM 7288 OD1 ASP D 56 49.478 -64.338 49.580 1.00 7.44 O -ATOM 7289 OD2 ASP D 56 49.117 -64.419 51.736 1.00 9.24 O -ATOM 7290 C ASP D 56 48.138 -66.414 47.898 1.00 7.82 C -ATOM 7291 O ASP D 56 48.602 -66.682 46.791 1.00 9.69 O -ATOM 7292 N ALA D 57 47.127 -65.593 48.053 1.00 7.94 N -ATOM 7293 CA ALA D 57 46.469 -64.982 46.889 1.00 9.22 C -ATOM 7294 CB ALA D 57 45.119 -64.434 47.266 1.00 10.08 C -ATOM 7295 C ALA D 57 47.292 -63.868 46.274 1.00 8.31 C -ATOM 7296 O ALA D 57 47.035 -63.508 45.133 1.00 9.67 O -ATOM 7297 N VAL D 58 48.275 -63.316 46.989 1.00 7.45 N -ATOM 7298 CA VAL D 58 48.789 -61.976 46.608 1.00 7.96 C -ATOM 7299 CB VAL D 58 47.892 -60.909 47.256 1.00 8.77 C -ATOM 7300 CG1 VAL D 58 48.124 -60.792 48.750 1.00 8.75 C -ATOM 7301 CG2 VAL D 58 48.009 -59.534 46.616 1.00 9.44 C -ATOM 7302 C VAL D 58 50.254 -61.802 46.976 1.00 7.83 C -ATOM 7303 O VAL D 58 50.777 -60.708 46.689 1.00 10.62 O -ATOM 7304 N SER D 59 50.939 -62.745 47.589 1.00 7.16 N -ATOM 7305 CA SER D 59 52.251 -62.469 48.189 1.00 6.56 C -ATOM 7306 CB SER D 59 52.079 -61.863 49.553 1.00 7.33 C -ATOM 7307 OG SER D 59 51.516 -62.789 50.450 1.00 7.65 O -ATOM 7308 C SER D 59 53.084 -63.727 48.252 1.00 6.92 C -ATOM 7309 O SER D 59 52.525 -64.856 48.360 1.00 7.27 O -ATOM 7310 N GLY D 60 54.383 -63.523 48.327 1.00 7.10 N -ATOM 7311 CA GLY D 60 55.305 -64.592 48.686 1.00 7.41 C -ATOM 7312 C GLY D 60 55.833 -65.380 47.509 1.00 7.38 C -ATOM 7313 O GLY D 60 56.505 -66.410 47.774 1.00 9.72 O -ATOM 7314 N GLY D 61 55.632 -64.962 46.274 1.00 8.87 N -ATOM 7315 CA GLY D 61 56.304 -65.705 45.186 1.00 8.87 C -ATOM 7316 C GLY D 61 57.822 -65.514 45.160 1.00 9.85 C -ATOM 7317 O GLY D 61 58.350 -64.484 45.727 1.00 12.42 O -ATOM 7318 N SER D 62 58.528 -66.389 44.444 1.00 9.55 N -ATOM 7319 CA SER D 62 59.971 -66.253 44.125 1.00 9.99 C -ATOM 7320 CB SER D 62 60.824 -67.124 44.981 1.00 11.28 C -ATOM 7321 OG SER D 62 60.302 -68.437 45.026 1.00 12.24 O -ATOM 7322 C SER D 62 60.194 -66.583 42.661 1.00 8.81 C -ATOM 7323 O SER D 62 59.403 -67.306 42.037 1.00 8.28 O -ATOM 7324 N PRO D 63 61.328 -66.114 42.087 1.00 8.93 N -ATOM 7325 CA PRO D 63 61.600 -66.392 40.686 1.00 8.92 C -ATOM 7326 CB PRO D 63 62.876 -65.579 40.367 1.00 10.40 C -ATOM 7327 CG PRO D 63 63.122 -64.689 41.560 1.00 12.40 C -ATOM 7328 CD PRO D 63 62.339 -65.242 42.708 1.00 10.30 C -ATOM 7329 C PRO D 63 61.767 -67.896 40.456 1.00 8.89 C -ATOM 7330 O PRO D 63 62.327 -68.590 41.283 1.00 9.44 O -ATOM 7331 N HIS D 64 61.296 -68.382 39.311 1.00 8.67 N -ATOM 7332 CA HIS D 64 61.646 -69.729 38.787 1.00 9.41 C -ATOM 7333 CB HIS D 64 63.179 -69.887 38.651 1.00 10.14 C -ATOM 7334 CG HIS D 64 63.839 -68.697 38.056 1.00 10.61 C -ATOM 7335 ND1 HIS D 64 65.029 -68.163 38.565 1.00 13.19 N -ATOM 7336 CE1 HIS D 64 65.398 -67.158 37.781 1.00 13.39 C -ATOM 7337 NE2 HIS D 64 64.494 -66.995 36.832 1.00 13.43 N -ATOM 7338 CD2 HIS D 64 63.516 -67.950 36.991 1.00 11.46 C -ATOM 7339 C HIS D 64 61.070 -70.774 39.714 1.00 9.36 C -ATOM 7340 O HIS D 64 61.619 -71.872 39.782 1.00 12.46 O -ATOM 7341 N HIS D 65 59.997 -70.452 40.417 1.00 8.95 N -ATOM 7342 CA HIS D 65 59.441 -71.344 41.440 1.00 8.60 C -ATOM 7343 CB HIS D 65 59.960 -70.879 42.801 1.00 9.86 C -ATOM 7344 CG HIS D 65 59.292 -71.431 44.019 1.00 10.82 C -ATOM 7345 ND1 HIS D 65 58.125 -70.914 44.531 1.00 11.09 N -ATOM 7346 CE1 HIS D 65 57.769 -71.614 45.586 1.00 10.87 C -ATOM 7347 NE2 HIS D 65 58.695 -72.614 45.773 1.00 11.54 N -ATOM 7348 CD2 HIS D 65 59.634 -72.489 44.796 1.00 11.40 C -ATOM 7349 C HIS D 65 57.927 -71.194 41.418 1.00 7.31 C -ATOM 7350 O HIS D 65 57.438 -70.046 41.243 1.00 7.68 O -ATOM 7351 N TRP D 66 57.233 -72.276 41.671 1.00 7.31 N -ATOM 7352 CA TRP D 66 55.780 -72.258 41.890 1.00 6.70 C -ATOM 7353 CB TRP D 66 54.990 -72.625 40.624 1.00 7.31 C -ATOM 7354 CG TRP D 66 55.073 -71.655 39.499 1.00 7.09 C -ATOM 7355 CD1 TRP D 66 54.124 -70.732 39.155 1.00 6.72 C -ATOM 7356 NE1 TRP D 66 54.510 -70.018 38.056 1.00 6.59 N -ATOM 7357 CE2 TRP D 66 55.725 -70.476 37.635 1.00 6.69 C -ATOM 7358 CD2 TRP D 66 56.119 -71.501 38.535 1.00 7.00 C -ATOM 7359 CE3 TRP D 66 57.359 -72.103 38.315 1.00 7.55 C -ATOM 7360 CZ3 TRP D 66 58.144 -71.689 37.264 1.00 8.10 C -ATOM 7361 CH2 TRP D 66 57.748 -70.653 36.422 1.00 8.08 C -ATOM 7362 CZ2 TRP D 66 56.521 -70.057 36.571 1.00 7.40 C -ATOM 7363 C TRP D 66 55.467 -73.205 43.061 1.00 7.05 C -ATOM 7364 O TRP D 66 56.180 -74.183 43.293 1.00 7.86 O -ATOM 7365 N PHE D 67 54.348 -72.939 43.719 1.00 6.86 N -ATOM 7366 CA PHE D 67 53.789 -73.776 44.793 1.00 7.27 C -ATOM 7367 CB PHE D 67 53.100 -72.879 45.820 1.00 7.60 C -ATOM 7368 CG PHE D 67 54.009 -71.902 46.514 1.00 7.53 C -ATOM 7369 CD1 PHE D 67 54.658 -72.263 47.678 1.00 8.36 C -ATOM 7370 CE1 PHE D 67 55.467 -71.348 48.341 1.00 9.18 C -ATOM 7371 CZ PHE D 67 55.612 -70.067 47.857 1.00 8.58 C -ATOM 7372 CD2 PHE D 67 54.185 -70.608 46.026 1.00 8.00 C -ATOM 7373 CE2 PHE D 67 54.978 -69.703 46.699 1.00 8.33 C -ATOM 7374 C PHE D 67 52.784 -74.765 44.223 1.00 6.49 C -ATOM 7375 O PHE D 67 52.156 -74.473 43.173 1.00 7.38 O -ATOM 7376 N VAL D 68 52.485 -75.823 44.970 1.00 7.40 N -ATOM 7377 CA VAL D 68 51.398 -76.769 44.630 1.00 7.03 C -ATOM 7378 CB VAL D 68 51.935 -78.133 44.156 1.00 7.37 C -ATOM 7379 CG1 VAL D 68 50.836 -79.175 44.012 1.00 7.66 C -ATOM 7380 CG2 VAL D 68 52.700 -77.970 42.857 1.00 7.95 C -ATOM 7381 C VAL D 68 50.503 -76.883 45.846 1.00 7.22 C -ATOM 7382 O VAL D 68 50.973 -77.318 46.937 1.00 7.62 O -ATOM 7383 N ARG D 69 49.238 -76.537 45.682 1.00 6.92 N -ATOM 7384 CA ARG D 69 48.239 -76.631 46.750 1.00 7.65 C -ATOM 7385 CB ARG D 69 48.407 -75.523 47.811 1.00 6.92 C -ATOM 7386 CG ARG D 69 48.203 -74.111 47.289 1.00 6.96 C -ATOM 7387 CD ARG D 69 48.281 -73.081 48.426 1.00 6.95 C -ATOM 7388 NE ARG D 69 48.114 -71.716 47.947 1.00 7.04 N -ATOM 7389 CZ ARG D 69 49.047 -70.966 47.357 1.00 6.50 C -ATOM 7390 NH1 ARG D 69 50.289 -71.384 47.261 1.00 6.92 N -ATOM 7391 NH2 ARG D 69 48.710 -69.781 46.856 1.00 7.20 N -ATOM 7392 C ARG D 69 46.888 -76.490 46.075 1.00 7.70 C -ATOM 7393 O ARG D 69 46.807 -76.081 44.896 1.00 7.66 O -ATOM 7394 N HIS D 70 45.866 -76.732 46.850 1.00 8.58 N -ATOM 7395 CA HIS D 70 44.478 -76.629 46.358 1.00 10.21 C -ATOM 7396 CB HIS D 70 43.593 -77.683 47.034 1.00 12.19 C -ATOM 7397 CG HIS D 70 42.221 -77.765 46.438 1.00 14.53 C -ATOM 7398 ND1 HIS D 70 41.118 -77.035 46.869 1.00 18.91 N -ATOM 7399 CE1 HIS D 70 40.081 -77.332 46.096 1.00 17.80 C -ATOM 7400 NE2 HIS D 70 40.476 -78.191 45.173 1.00 18.52 N -ATOM 7401 CD2 HIS D 70 41.805 -78.454 45.359 1.00 16.51 C -ATOM 7402 C HIS D 70 43.888 -75.229 46.581 1.00 10.52 C -ATOM 7403 O HIS D 70 43.200 -74.751 45.698 1.00 12.48 O -ATOM 7404 N ASN D 71 44.078 -74.659 47.757 1.00 11.32 N -ATOM 7405 CA ASN D 71 43.356 -73.429 48.183 1.00 11.29 C -ATOM 7406 CB ASN D 71 43.018 -73.518 49.668 1.00 14.30 C -ATOM 7407 CG ASN D 71 42.230 -74.771 49.951 1.00 16.51 C -ATOM 7408 OD1 ASN D 71 41.045 -74.823 49.650 1.00 19.10 O -ATOM 7409 ND2 ASN D 71 42.887 -75.774 50.491 1.00 20.50 N -ATOM 7410 C ASN D 71 44.196 -72.196 47.903 1.00 10.77 C -ATOM 7411 O ASN D 71 45.423 -72.277 47.819 1.00 9.54 O -ATOM 7412 N PRO D 72 43.568 -71.012 47.776 1.00 10.29 N -ATOM 7413 CA PRO D 72 44.351 -69.785 47.602 1.00 10.54 C -ATOM 7414 CB PRO D 72 43.283 -68.681 47.545 1.00 11.46 C -ATOM 7415 CG PRO D 72 42.038 -69.372 47.052 1.00 11.93 C -ATOM 7416 CD PRO D 72 42.118 -70.785 47.609 1.00 11.38 C -ATOM 7417 C PRO D 72 45.356 -69.500 48.721 1.00 10.10 C -ATOM 7418 O PRO D 72 46.390 -68.935 48.460 1.00 10.29 O -ATOM 7419 N GLY D 73 45.005 -69.866 49.939 1.00 10.95 N -ATOM 7420 CA GLY D 73 45.872 -69.713 51.123 1.00 11.94 C -ATOM 7421 C GLY D 73 45.538 -68.499 51.985 1.00 13.38 C -ATOM 7422 O GLY D 73 46.322 -68.154 52.895 1.00 14.98 O -ATOM 7423 N THR D 74 44.405 -67.854 51.735 1.00 14.37 N -ATOM 7424 CA THR D 74 43.925 -66.689 52.532 1.00 15.60 C -ATOM 7425 CB THR D 74 42.872 -65.913 51.738 1.00 14.66 C -ATOM 7426 OG1 THR D 74 43.487 -65.557 50.508 1.00 14.09 O -ATOM 7427 CG2 THR D 74 42.367 -64.683 52.457 1.00 16.21 C -ATOM 7428 C THR D 74 43.371 -67.176 53.881 1.00 16.82 C -ATOM 7429 O THR D 74 43.701 -66.575 54.957 1.00 18.60 O -ATOM 7430 N LEU D 75 42.599 -68.263 53.832 1.00 19.68 N -ATOM 7431 CA LEU D 75 41.919 -68.900 54.996 1.00 21.09 C -ATOM 7432 CB LEU D 75 40.435 -69.024 54.652 1.00 20.58 C -ATOM 7433 CG LEU D 75 39.750 -67.745 54.155 1.00 20.81 C -ATOM 7434 CD1 LEU D 75 38.263 -67.994 53.924 1.00 21.47 C -ATOM 7435 CD2 LEU D 75 39.921 -66.563 55.107 1.00 18.77 C -ATOM 7436 C LEU D 75 42.548 -70.280 55.275 1.00 23.49 C -ATOM 7437 O LEU D 75 42.868 -70.549 56.436 1.00 27.68 O -ATOM 7438 N PHE D 76 42.739 -71.117 54.245 1.00 24.36 N -ATOM 7439 CA PHE D 76 43.292 -72.500 54.354 1.00 25.43 C -ATOM 7440 CB PHE D 76 42.563 -73.426 53.380 1.00 27.31 C -ATOM 7441 CG PHE D 76 41.099 -73.612 53.703 1.00 30.10 C -ATOM 7442 CD1 PHE D 76 40.713 -74.340 54.823 1.00 33.09 C -ATOM 7443 CE1 PHE D 76 39.371 -74.496 55.140 1.00 32.65 C -ATOM 7444 CZ PHE D 76 38.398 -73.934 54.339 1.00 33.28 C -ATOM 7445 CD2 PHE D 76 40.110 -73.041 52.910 1.00 31.45 C -ATOM 7446 CE2 PHE D 76 38.766 -73.207 53.224 1.00 34.54 C -ATOM 7447 C PHE D 76 44.811 -72.523 54.117 1.00 24.23 C -ATOM 7448 O PHE D 76 45.406 -71.444 53.923 1.00 21.86 O -ATOM 7449 N GLN D 77 45.428 -73.714 54.149 1.00 22.79 N -ATOM 7450 CA GLN D 77 46.905 -73.873 54.144 1.00 20.89 C -ATOM 7451 CB GLN D 77 47.400 -75.324 54.232 1.00 22.11 C -ATOM 7452 CG GLN D 77 48.927 -75.437 54.322 1.00 24.05 C -ATOM 7453 CD GLN D 77 49.438 -76.796 54.761 1.00 24.26 C -ATOM 7454 OE1 GLN D 77 49.049 -77.327 55.803 1.00 27.49 O -ATOM 7455 NE2 GLN D 77 50.338 -77.374 53.978 1.00 22.00 N -ATOM 7456 C GLN D 77 47.421 -73.154 52.897 1.00 16.84 C -ATOM 7457 O GLN D 77 46.952 -73.424 51.750 1.00 16.95 O -ATOM 7458 N SER D 78 48.322 -72.224 53.150 1.00 15.45 N -ATOM 7459 CA SER D 78 49.059 -71.495 52.095 1.00 13.78 C -ATOM 7460 CB SER D 78 49.418 -70.121 52.566 1.00 14.41 C -ATOM 7461 OG SER D 78 50.337 -70.189 53.641 1.00 16.34 O -ATOM 7462 C SER D 78 50.319 -72.270 51.678 1.00 13.03 C -ATOM 7463 O SER D 78 50.647 -73.337 52.246 1.00 15.35 O -ATOM 7464 N GLY D 79 51.076 -71.742 50.742 1.00 11.46 N -ATOM 7465 CA GLY D 79 52.347 -72.363 50.370 1.00 9.93 C -ATOM 7466 C GLY D 79 52.138 -73.677 49.647 1.00 8.95 C -ATOM 7467 O GLY D 79 51.417 -73.721 48.632 1.00 8.38 O -ATOM 7468 N ASN D 80 52.776 -74.720 50.134 1.00 9.17 N -ATOM 7469 CA ASN D 80 52.651 -76.066 49.530 1.00 9.29 C -ATOM 7470 CB ASN D 80 54.008 -76.721 49.363 1.00 9.29 C -ATOM 7471 CG ASN D 80 54.844 -75.951 48.369 1.00 8.87 C -ATOM 7472 OD1 ASN D 80 54.387 -75.645 47.263 1.00 8.47 O -ATOM 7473 ND2 ASN D 80 56.067 -75.618 48.740 1.00 9.97 N -ATOM 7474 C ASN D 80 51.728 -76.888 50.410 1.00 9.81 C -ATOM 7475 O ASN D 80 51.951 -76.912 51.646 1.00 11.24 O -ATOM 7476 N ASP D 81 50.801 -77.613 49.802 1.00 9.77 N -ATOM 7477 CA ASP D 81 49.895 -78.496 50.543 1.00 10.78 C -ATOM 7478 CB ASP D 81 48.665 -77.715 50.988 1.00 12.50 C -ATOM 7479 CG ASP D 81 47.611 -78.566 51.676 1.00 14.35 C -ATOM 7480 OD1 ASP D 81 47.846 -79.780 51.927 1.00 14.87 O -ATOM 7481 OD2 ASP D 81 46.568 -78.008 51.977 1.00 18.77 O -ATOM 7482 C ASP D 81 49.612 -79.635 49.575 1.00 9.57 C -ATOM 7483 O ASP D 81 48.729 -79.501 48.729 1.00 9.06 O -ATOM 7484 N ASN D 82 50.350 -80.738 49.671 1.00 9.87 N -ATOM 7485 CA ASN D 82 50.308 -81.790 48.638 1.00 9.41 C -ATOM 7486 CB ASN D 82 50.886 -81.281 47.311 1.00 8.87 C -ATOM 7487 CG ASN D 82 52.348 -80.960 47.414 1.00 9.04 C -ATOM 7488 OD1 ASN D 82 53.138 -81.862 47.685 1.00 10.54 O -ATOM 7489 ND2 ASN D 82 52.738 -79.710 47.223 1.00 9.46 N -ATOM 7490 C ASN D 82 51.056 -83.025 49.146 1.00 9.96 C -ATOM 7491 O ASN D 82 51.724 -82.970 50.236 1.00 10.71 O -ATOM 7492 N ASN D 83 50.988 -84.109 48.380 1.00 9.17 N -ATOM 7493 CA ASN D 83 51.538 -85.430 48.732 1.00 10.38 C -ATOM 7494 CB ASN D 83 50.479 -86.494 48.484 1.00 9.78 C -ATOM 7495 CG ASN D 83 50.032 -86.523 47.039 1.00 9.08 C -ATOM 7496 OD1 ASN D 83 50.689 -85.956 46.172 1.00 9.94 O -ATOM 7497 ND2 ASN D 83 48.943 -87.219 46.817 1.00 9.76 N -ATOM 7498 C ASN D 83 52.827 -85.667 47.962 1.00 10.07 C -ATOM 7499 O ASN D 83 53.283 -86.842 47.937 1.00 10.48 O -ATOM 7500 N CYS D 84 53.471 -84.651 47.461 1.00 9.59 N -ATOM 7501 CA CYS D 84 54.773 -84.819 46.798 1.00 10.45 C -ATOM 7502 CB CYS D 84 55.052 -83.676 45.836 1.00 9.38 C -ATOM 7503 SG CYS D 84 53.711 -83.417 44.659 1.00 9.82 S -ATOM 7504 C CYS D 84 55.890 -84.934 47.845 1.00 12.30 C -ATOM 7505 O CYS D 84 55.726 -84.529 49.005 1.00 13.13 O -ATOM 7506 N THR D 85 57.038 -85.428 47.424 1.00 13.33 N -ATOM 7507 CA THR D 85 58.262 -85.496 48.261 1.00 15.59 C -ATOM 7508 CB THR D 85 59.449 -85.942 47.413 1.00 16.90 C -ATOM 7509 OG1 THR D 85 59.132 -87.270 46.981 1.00 15.83 O -ATOM 7510 CG2 THR D 85 60.774 -85.893 48.154 1.00 18.85 C -ATOM 7511 C THR D 85 58.515 -84.134 48.917 1.00 17.11 C -ATOM 7512 O THR D 85 58.515 -83.058 48.209 1.00 16.51 O -ATOM 7513 N GLY D 86 58.768 -84.159 50.237 1.00 19.67 N -ATOM 7514 CA GLY D 86 58.779 -82.962 51.096 1.00 21.14 C -ATOM 7515 C GLY D 86 57.436 -82.838 51.800 1.00 21.51 C -ATOM 7516 O GLY D 86 57.334 -81.948 52.644 1.00 23.74 O -ATOM 7517 N GLY D 90 58.151 -78.025 53.995 1.00 17.44 N -ATOM 7518 CA GLY D 90 57.357 -77.073 53.196 1.00 17.28 C -ATOM 7519 C GLY D 90 58.008 -76.797 51.862 1.00 16.15 C -ATOM 7520 O GLY D 90 57.578 -75.823 51.241 1.00 15.51 O -ATOM 7521 N LYS D 91 59.011 -77.586 51.459 1.00 16.47 N -ATOM 7522 CA LYS D 91 59.752 -77.430 50.172 1.00 17.76 C -ATOM 7523 CB LYS D 91 61.263 -77.433 50.443 1.00 20.88 C -ATOM 7524 CG LYS D 91 61.648 -76.252 51.324 1.00 24.07 C -ATOM 7525 CD LYS D 91 63.096 -75.889 51.416 1.00 28.30 C -ATOM 7526 CE LYS D 91 63.246 -74.689 52.331 1.00 29.81 C -ATOM 7527 NZ LYS D 91 64.630 -74.158 52.344 1.00 31.14 N -ATOM 7528 C LYS D 91 59.218 -78.439 49.137 1.00 14.27 C -ATOM 7529 O LYS D 91 59.852 -78.574 48.093 1.00 14.99 O -ATOM 7530 N ASN D 92 58.061 -79.057 49.380 1.00 11.59 N -ATOM 7531 CA ASN D 92 57.329 -79.856 48.353 1.00 11.30 C -ATOM 7532 CB ASN D 92 56.347 -80.851 48.969 1.00 12.32 C -ATOM 7533 CG ASN D 92 55.474 -80.274 50.056 1.00 11.81 C -ATOM 7534 OD1 ASN D 92 55.909 -79.381 50.819 1.00 11.80 O -ATOM 7535 ND2 ASN D 92 54.249 -80.752 50.117 1.00 11.28 N -ATOM 7536 C ASN D 92 56.635 -78.905 47.347 1.00 9.21 C -ATOM 7537 O ASN D 92 55.448 -78.847 47.371 1.00 8.69 O -ATOM 7538 N ASP D 93 57.414 -78.282 46.495 1.00 9.44 N -ATOM 7539 CA ASP D 93 56.890 -77.266 45.555 1.00 9.20 C -ATOM 7540 CB ASP D 93 57.879 -76.118 45.418 1.00 10.01 C -ATOM 7541 CG ASP D 93 59.248 -76.488 44.852 1.00 11.61 C -ATOM 7542 OD1 ASP D 93 59.587 -77.706 44.701 1.00 12.47 O -ATOM 7543 OD2 ASP D 93 60.000 -75.589 44.583 1.00 15.06 O -ATOM 7544 C ASP D 93 56.675 -77.904 44.179 1.00 8.41 C -ATOM 7545 O ASP D 93 56.706 -79.154 44.045 1.00 8.59 O -ATOM 7546 N LEU D 94 56.440 -77.109 43.145 1.00 7.30 N -ATOM 7547 CA LEU D 94 56.121 -77.711 41.832 1.00 7.97 C -ATOM 7548 CB LEU D 94 55.785 -76.601 40.846 1.00 8.18 C -ATOM 7549 CG LEU D 94 55.582 -77.091 39.422 1.00 8.47 C -ATOM 7550 CD1 LEU D 94 54.427 -78.060 39.292 1.00 8.40 C -ATOM 7551 CD2 LEU D 94 55.342 -75.924 38.481 1.00 8.13 C -ATOM 7552 C LEU D 94 57.325 -78.521 41.382 1.00 8.02 C -ATOM 7553 O LEU D 94 57.125 -79.612 40.892 1.00 8.29 O -ATOM 7554 N GLU D 95 58.533 -77.962 41.498 1.00 8.28 N -ATOM 7555 CA GLU D 95 59.744 -78.659 41.037 1.00 8.89 C -ATOM 7556 CB GLU D 95 60.982 -77.797 41.266 1.00 9.06 C -ATOM 7557 CG GLU D 95 62.244 -78.474 40.796 1.00 10.13 C -ATOM 7558 CD GLU D 95 63.443 -77.571 40.649 1.00 11.84 C -ATOM 7559 OE1 GLU D 95 63.297 -76.331 40.679 1.00 12.48 O -ATOM 7560 OE2 GLU D 95 64.587 -78.105 40.511 1.00 12.81 O -ATOM 7561 C GLU D 95 59.838 -80.018 41.751 1.00 9.42 C -ATOM 7562 O GLU D 95 60.165 -81.023 41.078 1.00 9.76 O -ATOM 7563 N ALA D 96 59.544 -80.096 43.055 1.00 9.09 N -ATOM 7564 CA ALA D 96 59.549 -81.398 43.780 1.00 9.48 C -ATOM 7565 CB ALA D 96 59.316 -81.210 45.260 1.00 9.50 C -ATOM 7566 C ALA D 96 58.529 -82.363 43.167 1.00 9.62 C -ATOM 7567 O ALA D 96 58.862 -83.567 42.987 1.00 9.71 O -ATOM 7568 N CYS D 97 57.320 -81.929 42.908 1.00 9.15 N -ATOM 7569 CA CYS D 97 56.287 -82.826 42.362 1.00 8.72 C -ATOM 7570 CB CYS D 97 54.935 -82.127 42.258 1.00 9.14 C -ATOM 7571 SG CYS D 97 54.222 -81.615 43.852 1.00 9.16 S -ATOM 7572 C CYS D 97 56.692 -83.290 40.975 1.00 8.86 C -ATOM 7573 O CYS D 97 56.517 -84.462 40.644 1.00 9.53 O -ATOM 7574 N LEU D 98 57.242 -82.411 40.161 1.00 9.42 N -ATOM 7575 CA LEU D 98 57.710 -82.816 38.829 1.00 9.30 C -ATOM 7576 CB LEU D 98 58.173 -81.609 38.032 1.00 8.84 C -ATOM 7577 CG LEU D 98 57.116 -80.534 37.742 1.00 9.82 C -ATOM 7578 CD1 LEU D 98 57.709 -79.390 36.945 1.00 10.26 C -ATOM 7579 CD2 LEU D 98 55.906 -81.109 37.026 1.00 10.31 C -ATOM 7580 C LEU D 98 58.848 -83.818 38.978 1.00 10.00 C -ATOM 7581 O LEU D 98 58.937 -84.750 38.177 1.00 10.42 O -ATOM 7582 N ASN D 99 59.758 -83.570 39.902 1.00 10.49 N -ATOM 7583 CA ASN D 99 60.858 -84.541 40.131 1.00 10.90 C -ATOM 7584 CB ASN D 99 61.890 -83.997 41.105 1.00 12.58 C -ATOM 7585 CG ASN D 99 62.961 -83.207 40.394 1.00 14.69 C -ATOM 7586 OD1 ASN D 99 63.437 -83.608 39.336 1.00 17.90 O -ATOM 7587 ND2 ASN D 99 63.387 -82.116 41.000 1.00 18.42 N -ATOM 7588 C ASN D 99 60.327 -85.890 40.602 1.00 10.58 C -ATOM 7589 O ASN D 99 60.948 -86.930 40.241 1.00 11.89 O -ATOM 7590 N ASP D 100 59.245 -85.952 41.345 1.00 10.07 N -ATOM 7591 CA ASP D 100 58.649 -87.269 41.671 1.00 10.71 C -ATOM 7592 CB ASP D 100 57.422 -87.148 42.550 1.00 10.62 C -ATOM 7593 CG ASP D 100 57.714 -86.834 43.997 1.00 10.56 C -ATOM 7594 OD1 ASP D 100 58.886 -87.013 44.440 1.00 13.13 O -ATOM 7595 OD2 ASP D 100 56.766 -86.426 44.670 1.00 11.40 O -ATOM 7596 C ASP D 100 58.299 -88.010 40.376 1.00 10.29 C -ATOM 7597 O ASP D 100 58.510 -89.235 40.283 1.00 11.42 O -ATOM 7598 N VAL D 101 57.785 -87.323 39.354 1.00 9.98 N -ATOM 7599 CA VAL D 101 57.448 -87.996 38.070 1.00 9.28 C -ATOM 7600 CB VAL D 101 56.493 -87.118 37.259 1.00 9.59 C -ATOM 7601 CG1 VAL D 101 56.163 -87.706 35.901 1.00 9.85 C -ATOM 7602 CG2 VAL D 101 55.229 -86.796 38.038 1.00 10.19 C -ATOM 7603 C VAL D 101 58.710 -88.358 37.297 1.00 9.32 C -ATOM 7604 O VAL D 101 58.804 -89.494 36.765 1.00 9.17 O -ATOM 7605 N LYS D 102 59.676 -87.466 37.244 1.00 9.85 N -ATOM 7606 CA LYS D 102 60.982 -87.722 36.593 1.00 10.64 C -ATOM 7607 CB LYS D 102 61.848 -86.464 36.683 1.00 11.78 C -ATOM 7608 CG LYS D 102 63.086 -86.477 35.801 1.00 14.94 C -ATOM 7609 CD LYS D 102 64.296 -87.112 36.438 1.00 17.88 C -ATOM 7610 CE LYS D 102 65.489 -86.963 35.518 1.00 18.97 C -ATOM 7611 NZ LYS D 102 66.672 -87.703 36.005 1.00 20.35 N -ATOM 7612 C LYS D 102 61.601 -88.968 37.228 1.00 11.21 C -ATOM 7613 O LYS D 102 62.070 -89.860 36.456 1.00 11.86 O -ATOM 7614 N ASN D 103 61.608 -89.055 38.551 1.00 11.08 N -ATOM 7615 CA ASN D 103 62.289 -90.182 39.238 1.00 11.62 C -ATOM 7616 CB ASN D 103 62.462 -89.908 40.729 1.00 12.83 C -ATOM 7617 CG ASN D 103 63.424 -88.774 40.998 1.00 13.69 C -ATOM 7618 OD1 ASN D 103 64.345 -88.536 40.242 1.00 14.81 O -ATOM 7619 ND2 ASN D 103 63.190 -88.081 42.106 1.00 15.47 N -ATOM 7620 C ASN D 103 61.519 -91.476 39.000 1.00 11.32 C -ATOM 7621 O ASN D 103 62.152 -92.553 38.747 1.00 11.56 O -ATOM 7622 N TRP D 104 60.196 -91.447 39.043 1.00 11.05 N -ATOM 7623 CA TRP D 104 59.428 -92.667 38.736 1.00 10.77 C -ATOM 7624 CB TRP D 104 57.933 -92.421 38.959 1.00 10.60 C -ATOM 7625 CG TRP D 104 57.121 -93.657 38.742 1.00 10.65 C -ATOM 7626 CD1 TRP D 104 56.612 -94.462 39.718 1.00 10.56 C -ATOM 7627 NE1 TRP D 104 55.937 -95.505 39.164 1.00 10.86 N -ATOM 7628 CE2 TRP D 104 55.946 -95.392 37.795 1.00 10.03 C -ATOM 7629 CD2 TRP D 104 56.698 -94.234 37.490 1.00 10.24 C -ATOM 7630 CE3 TRP D 104 56.837 -93.890 36.144 1.00 10.87 C -ATOM 7631 CZ3 TRP D 104 56.289 -94.691 35.163 1.00 9.84 C -ATOM 7632 CH2 TRP D 104 55.606 -95.859 35.495 1.00 10.32 C -ATOM 7633 CZ2 TRP D 104 55.390 -96.213 36.801 1.00 10.58 C -ATOM 7634 C TRP D 104 59.769 -93.093 37.298 1.00 10.85 C -ATOM 7635 O TRP D 104 60.020 -94.293 37.034 1.00 11.03 O -ATOM 7636 N SER D 105 59.815 -92.155 36.372 1.00 10.35 N -ATOM 7637 CA SER D 105 60.091 -92.451 34.956 1.00 9.97 C -ATOM 7638 CB SER D 105 60.052 -91.198 34.127 1.00 9.31 C -ATOM 7639 OG SER D 105 60.567 -91.405 32.816 1.00 9.84 O -ATOM 7640 C SER D 105 61.471 -93.133 34.871 1.00 9.77 C -ATOM 7641 O SER D 105 61.605 -94.166 34.169 1.00 10.57 O -ATOM 7642 N ASP D 106 62.496 -92.556 35.487 1.00 10.54 N -ATOM 7643 CA ASP D 106 63.843 -93.180 35.467 1.00 12.07 C -ATOM 7644 CB ASP D 106 64.850 -92.396 36.297 1.00 12.91 C -ATOM 7645 CG ASP D 106 65.284 -91.067 35.686 1.00 13.39 C -ATOM 7646 OD1 ASP D 106 65.106 -90.860 34.479 1.00 14.13 O -ATOM 7647 OD2 ASP D 106 65.840 -90.263 36.415 1.00 14.89 O -ATOM 7648 C ASP D 106 63.832 -94.624 35.992 1.00 12.84 C -ATOM 7649 O ASP D 106 64.607 -95.466 35.482 1.00 13.58 O -ATOM 7650 N LYS D 107 63.017 -94.916 36.980 1.00 12.93 N -ATOM 7651 CA LYS D 107 62.924 -96.270 37.582 1.00 13.68 C -ATOM 7652 CB LYS D 107 62.359 -96.166 38.992 1.00 16.64 C -ATOM 7653 CG LYS D 107 63.303 -95.485 39.956 1.00 19.12 C -ATOM 7654 CD LYS D 107 62.828 -95.381 41.382 1.00 22.36 C -ATOM 7655 CE LYS D 107 63.868 -94.716 42.262 1.00 25.75 C -ATOM 7656 NZ LYS D 107 64.917 -95.690 42.646 1.00 28.78 N -ATOM 7657 C LYS D 107 62.078 -97.216 36.733 1.00 13.91 C -ATOM 7658 O LYS D 107 62.120 -98.427 37.035 1.00 13.59 O -ATOM 7659 N HIS D 108 61.348 -96.747 35.717 1.00 12.78 N -ATOM 7660 CA HIS D 108 60.447 -97.585 34.898 1.00 12.83 C -ATOM 7661 CB HIS D 108 58.996 -97.314 35.274 1.00 12.79 C -ATOM 7662 CG HIS D 108 58.708 -97.626 36.697 1.00 13.22 C -ATOM 7663 ND1 HIS D 108 58.996 -96.765 37.733 1.00 13.20 N -ATOM 7664 CE1 HIS D 108 58.639 -97.311 38.896 1.00 14.76 C -ATOM 7665 NE2 HIS D 108 58.149 -98.544 38.637 1.00 15.56 N -ATOM 7666 CD2 HIS D 108 58.212 -98.748 37.281 1.00 13.12 C -ATOM 7667 C HIS D 108 60.732 -97.338 33.427 1.00 13.39 C -ATOM 7668 O HIS D 108 59.868 -96.849 32.687 1.00 11.93 O -ATOM 7669 N PRO D 109 61.946 -97.682 32.941 1.00 13.66 N -ATOM 7670 CA PRO D 109 62.215 -97.601 31.516 1.00 14.59 C -ATOM 7671 CB PRO D 109 63.620 -98.216 31.339 1.00 16.40 C -ATOM 7672 CG PRO D 109 63.983 -98.842 32.682 1.00 17.47 C -ATOM 7673 CD PRO D 109 63.096 -98.185 33.722 1.00 14.90 C -ATOM 7674 C PRO D 109 61.155 -98.361 30.709 1.00 15.16 C -ATOM 7675 O PRO D 109 60.745 -99.415 31.129 1.00 15.88 O -ATOM 7676 N GLY D 110 60.751 -97.803 29.571 1.00 13.39 N -ATOM 7677 CA GLY D 110 59.752 -98.436 28.705 1.00 13.45 C -ATOM 7678 C GLY D 110 58.340 -98.093 29.130 1.00 11.94 C -ATOM 7679 O GLY D 110 57.378 -98.682 28.611 1.00 14.14 O -ATOM 7680 N HIS D 111 58.165 -97.146 30.058 1.00 10.70 N -ATOM 7681 CA HIS D 111 56.805 -96.839 30.561 1.00 9.40 C -ATOM 7682 CB HIS D 111 56.812 -95.958 31.809 1.00 9.02 C -ATOM 7683 CG HIS D 111 57.359 -94.576 31.627 1.00 8.70 C -ATOM 7684 ND1 HIS D 111 56.648 -93.556 31.078 1.00 8.80 N -ATOM 7685 CE1 HIS D 111 57.405 -92.474 31.142 1.00 8.72 C -ATOM 7686 NE2 HIS D 111 58.593 -92.734 31.646 1.00 8.60 N -ATOM 7687 CD2 HIS D 111 58.552 -94.065 31.983 1.00 8.54 C -ATOM 7688 C HIS D 111 55.905 -96.257 29.487 1.00 7.95 C -ATOM 7689 O HIS D 111 56.370 -95.528 28.595 1.00 8.58 O -ATOM 7690 N PHE D 112 54.640 -96.530 29.642 1.00 7.98 N -ATOM 7691 CA PHE D 112 53.597 -95.870 28.829 1.00 7.88 C -ATOM 7692 CB PHE D 112 52.223 -96.403 29.264 1.00 8.21 C -ATOM 7693 CG PHE D 112 51.069 -95.867 28.484 1.00 8.34 C -ATOM 7694 CD1 PHE D 112 50.530 -94.644 28.789 1.00 7.72 C -ATOM 7695 CE1 PHE D 112 49.513 -94.143 28.019 1.00 7.98 C -ATOM 7696 CZ PHE D 112 49.008 -94.885 26.999 1.00 8.33 C -ATOM 7697 CD2 PHE D 112 50.540 -96.613 27.449 1.00 8.64 C -ATOM 7698 CE2 PHE D 112 49.498 -96.132 26.718 1.00 8.93 C -ATOM 7699 C PHE D 112 53.750 -94.363 29.042 1.00 7.67 C -ATOM 7700 O PHE D 112 54.057 -93.945 30.154 1.00 8.17 O -ATOM 7701 N PRO D 113 53.549 -93.519 28.015 1.00 7.58 N -ATOM 7702 CA PRO D 113 53.757 -92.089 28.227 1.00 7.77 C -ATOM 7703 CB PRO D 113 53.355 -91.503 26.867 1.00 7.56 C -ATOM 7704 CG PRO D 113 52.501 -92.570 26.201 1.00 7.68 C -ATOM 7705 CD PRO D 113 53.163 -93.860 26.641 1.00 7.32 C -ATOM 7706 C PRO D 113 52.903 -91.539 29.364 1.00 7.64 C -ATOM 7707 O PRO D 113 51.753 -91.847 29.461 1.00 7.61 O -ATOM 7708 N ILE D 114 53.515 -90.684 30.154 1.00 7.30 N -ATOM 7709 CA ILE D 114 52.857 -89.997 31.294 1.00 7.55 C -ATOM 7710 CB ILE D 114 53.831 -89.875 32.464 1.00 7.42 C -ATOM 7711 CG1 ILE D 114 54.200 -91.255 33.004 1.00 8.11 C -ATOM 7712 CG2 ILE D 114 53.176 -89.011 33.540 1.00 7.78 C -ATOM 7713 CD1 ILE D 114 55.448 -91.238 33.839 1.00 9.21 C -ATOM 7714 C ILE D 114 52.369 -88.635 30.841 1.00 7.35 C -ATOM 7715 O ILE D 114 53.153 -87.887 30.248 1.00 8.29 O -ATOM 7716 N THR D 115 51.107 -88.337 31.129 1.00 6.87 N -ATOM 7717 CA THR D 115 50.545 -87.011 30.846 1.00 7.68 C -ATOM 7718 CB THR D 115 49.258 -87.149 30.062 1.00 7.13 C -ATOM 7719 OG1 THR D 115 49.539 -87.810 28.823 1.00 8.88 O -ATOM 7720 CG2 THR D 115 48.642 -85.800 29.742 1.00 7.93 C -ATOM 7721 C THR D 115 50.345 -86.304 32.176 1.00 7.02 C -ATOM 7722 O THR D 115 49.726 -86.872 33.097 1.00 8.00 O -ATOM 7723 N LEU D 116 50.869 -85.076 32.284 1.00 7.07 N -ATOM 7724 CA LEU D 116 50.715 -84.271 33.504 1.00 7.66 C -ATOM 7725 CB LEU D 116 52.060 -83.787 34.024 1.00 9.15 C -ATOM 7726 CG LEU D 116 53.069 -84.832 34.460 1.00 10.55 C -ATOM 7727 CD1 LEU D 116 54.289 -84.179 35.101 1.00 12.50 C -ATOM 7728 CD2 LEU D 116 52.442 -85.852 35.401 1.00 10.67 C -ATOM 7729 C LEU D 116 49.853 -83.066 33.176 1.00 6.95 C -ATOM 7730 O LEU D 116 50.264 -82.209 32.363 1.00 7.16 O -ATOM 7731 N ILE D 117 48.701 -82.973 33.816 1.00 6.82 N -ATOM 7732 CA ILE D 117 47.791 -81.818 33.709 1.00 7.30 C -ATOM 7733 CB ILE D 117 46.354 -82.239 34.008 1.00 8.41 C -ATOM 7734 CG1 ILE D 117 45.903 -83.420 33.142 1.00 9.72 C -ATOM 7735 CG2 ILE D 117 45.393 -81.051 33.908 1.00 9.52 C -ATOM 7736 CD1 ILE D 117 45.996 -83.205 31.640 1.00 9.24 C -ATOM 7737 C ILE D 117 48.312 -80.779 34.698 1.00 7.55 C -ATOM 7738 O ILE D 117 48.239 -81.018 35.940 1.00 9.27 O -ATOM 7739 N LEU D 118 48.820 -79.662 34.190 1.00 7.01 N -ATOM 7740 CA LEU D 118 49.333 -78.548 35.015 1.00 6.83 C -ATOM 7741 CB LEU D 118 50.672 -78.097 34.439 1.00 6.72 C -ATOM 7742 CG LEU D 118 51.712 -79.196 34.240 1.00 7.83 C -ATOM 7743 CD1 LEU D 118 52.929 -78.602 33.542 1.00 9.03 C -ATOM 7744 CD2 LEU D 118 52.073 -79.889 35.555 1.00 9.53 C -ATOM 7745 C LEU D 118 48.264 -77.466 35.042 1.00 6.12 C -ATOM 7746 O LEU D 118 48.093 -76.739 34.049 1.00 6.74 O -ATOM 7747 N ASP D 119 47.508 -77.461 36.105 1.00 5.90 N -ATOM 7748 CA ASP D 119 46.335 -76.602 36.262 1.00 6.30 C -ATOM 7749 CB ASP D 119 45.269 -77.354 37.040 1.00 7.05 C -ATOM 7750 CG ASP D 119 43.922 -76.675 37.056 1.00 8.10 C -ATOM 7751 OD1 ASP D 119 43.765 -75.691 36.324 1.00 9.97 O -ATOM 7752 OD2 ASP D 119 43.007 -77.145 37.761 1.00 10.05 O -ATOM 7753 C ASP D 119 46.788 -75.329 36.948 1.00 5.98 C -ATOM 7754 O ASP D 119 47.022 -75.311 38.161 1.00 6.81 O -ATOM 7755 N LYS D 120 47.017 -74.302 36.142 1.00 5.87 N -ATOM 7756 CA LYS D 120 47.572 -73.029 36.627 1.00 6.09 C -ATOM 7757 CB LYS D 120 48.121 -72.250 35.441 1.00 6.44 C -ATOM 7758 CG LYS D 120 48.857 -71.002 35.851 1.00 6.03 C -ATOM 7759 CD LYS D 120 49.550 -70.298 34.705 1.00 7.23 C -ATOM 7760 CE LYS D 120 50.838 -69.580 35.051 1.00 9.17 C -ATOM 7761 NZ LYS D 120 50.770 -68.781 36.300 1.00 7.00 N -ATOM 7762 C LYS D 120 46.489 -72.241 37.343 1.00 6.05 C -ATOM 7763 O LYS D 120 45.399 -72.068 36.782 1.00 6.23 O -ATOM 7764 N LYS D 121 46.796 -71.674 38.500 1.00 6.11 N -ATOM 7765 CA LYS D 121 45.774 -71.028 39.349 1.00 6.59 C -ATOM 7766 CB LYS D 121 45.789 -71.646 40.741 1.00 7.10 C -ATOM 7767 CG LYS D 121 45.428 -73.107 40.710 1.00 8.07 C -ATOM 7768 CD LYS D 121 43.989 -73.329 40.379 1.00 9.60 C -ATOM 7769 CE LYS D 121 43.641 -74.799 40.273 1.00 10.15 C -ATOM 7770 NZ LYS D 121 42.239 -75.038 39.884 1.00 12.31 N -ATOM 7771 C LYS D 121 45.903 -69.511 39.400 1.00 6.38 C -ATOM 7772 O LYS D 121 44.925 -68.905 39.863 1.00 7.27 O -ATOM 7773 N GLN D 122 47.015 -68.926 38.953 1.00 6.39 N -ATOM 7774 CA GLN D 122 47.165 -67.457 38.948 1.00 6.80 C -ATOM 7775 CB GLN D 122 48.097 -67.000 40.077 1.00 6.80 C -ATOM 7776 CG GLN D 122 47.431 -67.159 41.436 1.00 7.25 C -ATOM 7777 CD GLN D 122 48.323 -67.021 42.654 1.00 8.22 C -ATOM 7778 OE1 GLN D 122 49.465 -67.472 42.664 1.00 8.27 O -ATOM 7779 NE2 GLN D 122 47.740 -66.491 43.733 1.00 9.34 N -ATOM 7780 C GLN D 122 47.663 -67.051 37.562 1.00 6.94 C -ATOM 7781 O GLN D 122 47.814 -67.889 36.662 1.00 9.53 O -ATOM 7782 N GLY D 123 47.900 -65.775 37.347 1.00 7.45 N -ATOM 7783 CA GLY D 123 48.371 -65.255 36.077 1.00 7.62 C -ATOM 7784 C GLY D 123 49.860 -65.440 35.876 1.00 6.71 C -ATOM 7785 O GLY D 123 50.562 -65.938 36.748 1.00 7.57 O -ATOM 7786 N TRP D 124 50.323 -65.079 34.727 1.00 6.40 N -ATOM 7787 CA TRP D 124 51.760 -65.061 34.410 1.00 6.56 C -ATOM 7788 CB TRP D 124 51.986 -65.049 32.894 1.00 6.39 C -ATOM 7789 CG TRP D 124 51.482 -66.284 32.230 1.00 5.72 C -ATOM 7790 CD1 TRP D 124 50.353 -66.427 31.463 1.00 6.15 C -ATOM 7791 NE1 TRP D 124 50.200 -67.746 31.102 1.00 6.07 N -ATOM 7792 CE2 TRP D 124 51.216 -68.484 31.627 1.00 5.82 C -ATOM 7793 CD2 TRP D 124 52.040 -67.602 32.340 1.00 5.75 C -ATOM 7794 CE3 TRP D 124 53.190 -68.095 32.975 1.00 6.27 C -ATOM 7795 CZ3 TRP D 124 53.484 -69.427 32.907 1.00 6.21 C -ATOM 7796 CH2 TRP D 124 52.641 -70.287 32.197 1.00 6.73 C -ATOM 7797 CZ2 TRP D 124 51.511 -69.830 31.563 1.00 6.07 C -ATOM 7798 C TRP D 124 52.414 -63.814 35.004 1.00 6.69 C -ATOM 7799 O TRP D 124 51.767 -62.737 35.041 1.00 7.78 O -ATOM 7800 N SER D 125 53.690 -63.881 35.345 1.00 6.52 N -ATOM 7801 CA SER D 125 54.434 -62.659 35.712 1.00 7.04 C -ATOM 7802 CB SER D 125 55.470 -62.899 36.745 1.00 6.49 C -ATOM 7803 OG SER D 125 56.682 -63.415 36.174 1.00 7.30 O -ATOM 7804 C SER D 125 55.061 -62.065 34.480 1.00 7.38 C -ATOM 7805 O SER D 125 55.099 -62.669 33.402 1.00 7.75 O -ATOM 7806 N LYS D 126 55.523 -60.852 34.629 1.00 7.64 N -ATOM 7807 CA LYS D 126 56.486 -60.221 33.710 1.00 8.59 C -ATOM 7808 CB LYS D 126 56.376 -58.689 33.762 1.00 10.96 C -ATOM 7809 CG LYS D 126 54.976 -58.157 33.520 1.00 13.46 C -ATOM 7810 CD LYS D 126 54.457 -58.446 32.155 1.00 16.17 C -ATOM 7811 CE LYS D 126 53.214 -57.644 31.820 1.00 18.22 C -ATOM 7812 NZ LYS D 126 52.529 -58.219 30.640 1.00 23.96 N -ATOM 7813 C LYS D 126 57.905 -60.691 34.017 1.00 8.50 C -ATOM 7814 O LYS D 126 58.125 -61.381 34.987 1.00 8.40 O -ATOM 7815 N GLU D 127 58.821 -60.304 33.136 1.00 9.31 N -ATOM 7816 CA GLU D 127 60.198 -60.826 33.096 1.00 10.13 C -ATOM 7817 CB GLU D 127 61.032 -60.166 31.998 1.00 11.73 C -ATOM 7818 CG GLU D 127 60.813 -60.792 30.624 1.00 14.86 C -ATOM 7819 CD GLU D 127 59.434 -60.664 29.966 1.00 15.99 C -ATOM 7820 OE1 GLU D 127 58.620 -59.742 30.337 1.00 17.04 O -ATOM 7821 OE2 GLU D 127 59.161 -61.514 29.048 1.00 16.77 O -ATOM 7822 C GLU D 127 60.854 -60.622 34.450 1.00 9.37 C -ATOM 7823 O GLU D 127 61.540 -61.515 34.902 1.00 9.89 O -ATOM 7824 N SER D 128 60.659 -59.449 35.034 1.00 9.78 N -ATOM 7825 CA SER D 128 61.331 -59.038 36.284 1.00 10.71 C -ATOM 7826 CB SER D 128 60.959 -57.607 36.690 1.00 12.56 C -ATOM 7827 OG SER D 128 59.567 -57.325 36.583 1.00 13.47 O -ATOM 7828 C SER D 128 61.061 -60.021 37.434 1.00 11.46 C -ATOM 7829 O SER D 128 61.888 -60.108 38.340 1.00 14.67 O -ATOM 7830 N SER D 129 59.925 -60.706 37.493 1.00 9.55 N -ATOM 7831 CA SER D 129 59.610 -61.616 38.614 1.00 8.74 C -ATOM 7832 CB SER D 129 58.163 -61.442 38.971 1.00 8.25 C -ATOM 7833 OG SER D 129 57.959 -60.139 39.536 1.00 10.25 O -ATOM 7834 C SER D 129 59.918 -63.095 38.309 1.00 8.35 C -ATOM 7835 O SER D 129 59.767 -63.863 39.208 1.00 9.13 O -ATOM 7836 N GLY D 130 60.370 -63.460 37.115 1.00 8.18 N -ATOM 7837 CA GLY D 130 60.930 -64.794 36.877 1.00 7.37 C -ATOM 7838 C GLY D 130 59.898 -65.896 36.763 1.00 7.77 C -ATOM 7839 O GLY D 130 60.270 -67.056 36.975 1.00 6.92 O -ATOM 7840 N ARG D 131 58.644 -65.558 36.477 1.00 7.58 N -ATOM 7841 CA ARG D 131 57.582 -66.592 36.309 1.00 7.37 C -ATOM 7842 CB ARG D 131 56.699 -66.648 37.540 1.00 6.69 C -ATOM 7843 CG ARG D 131 57.419 -67.108 38.789 1.00 7.34 C -ATOM 7844 CD ARG D 131 56.465 -67.329 39.952 1.00 7.65 C -ATOM 7845 NE ARG D 131 55.723 -66.102 40.253 1.00 7.28 N -ATOM 7846 CZ ARG D 131 56.189 -65.113 40.992 1.00 7.69 C -ATOM 7847 NH1 ARG D 131 57.308 -65.284 41.685 1.00 8.13 N -ATOM 7848 NH2 ARG D 131 55.483 -63.999 41.090 1.00 8.53 N -ATOM 7849 C ARG D 131 56.790 -66.295 35.030 1.00 6.92 C -ATOM 7850 O ARG D 131 55.541 -66.378 35.010 1.00 6.96 O -ATOM 7851 N THR D 132 57.494 -65.992 33.961 1.00 7.05 N -ATOM 7852 CA THR D 132 56.898 -65.850 32.622 1.00 6.68 C -ATOM 7853 CB THR D 132 57.830 -65.070 31.690 1.00 6.77 C -ATOM 7854 OG1 THR D 132 58.970 -65.882 31.419 1.00 6.82 O -ATOM 7855 CG2 THR D 132 58.254 -63.729 32.236 1.00 6.90 C -ATOM 7856 C THR D 132 56.651 -67.225 32.023 1.00 6.32 C -ATOM 7857 O THR D 132 57.158 -68.244 32.509 1.00 5.82 O -ATOM 7858 N PRO D 133 55.928 -67.295 30.898 1.00 6.36 N -ATOM 7859 CA PRO D 133 55.861 -68.543 30.141 1.00 6.00 C -ATOM 7860 CB PRO D 133 55.129 -68.122 28.868 1.00 6.20 C -ATOM 7861 CG PRO D 133 54.180 -67.060 29.390 1.00 5.90 C -ATOM 7862 CD PRO D 133 55.048 -66.245 30.335 1.00 6.11 C -ATOM 7863 C PRO D 133 57.241 -69.146 29.843 1.00 5.96 C -ATOM 7864 O PRO D 133 57.381 -70.349 29.931 1.00 6.41 O -ATOM 7865 N LYS D 134 58.200 -68.326 29.466 1.00 6.42 N -ATOM 7866 CA LYS D 134 59.536 -68.857 29.180 1.00 7.53 C -ATOM 7867 CB LYS D 134 60.392 -67.727 28.625 1.00 8.29 C -ATOM 7868 CG LYS D 134 61.797 -68.171 28.231 1.00 10.80 C -ATOM 7869 CD LYS D 134 62.404 -67.224 27.203 1.00 13.30 C -ATOM 7870 CE LYS D 134 63.826 -67.570 26.824 1.00 17.11 C -ATOM 7871 NZ LYS D 134 64.757 -67.330 27.944 1.00 20.91 N -ATOM 7872 C LYS D 134 60.187 -69.439 30.438 1.00 7.13 C -ATOM 7873 O LYS D 134 60.845 -70.475 30.348 1.00 7.41 O -ATOM 7874 N ASP D 135 60.040 -68.784 31.583 1.00 6.60 N -ATOM 7875 CA ASP D 135 60.571 -69.316 32.839 1.00 6.85 C -ATOM 7876 CB ASP D 135 60.321 -68.340 33.985 1.00 7.17 C -ATOM 7877 CG ASP D 135 61.121 -67.057 33.844 1.00 7.96 C -ATOM 7878 OD1 ASP D 135 62.364 -67.114 33.770 1.00 9.56 O -ATOM 7879 OD2 ASP D 135 60.526 -65.978 33.839 1.00 8.36 O -ATOM 7880 C ASP D 135 59.919 -70.657 33.145 1.00 6.86 C -ATOM 7881 O ASP D 135 60.619 -71.564 33.622 1.00 7.70 O -ATOM 7882 N PHE D 136 58.619 -70.780 32.908 1.00 6.43 N -ATOM 7883 CA PHE D 136 57.918 -72.041 33.155 1.00 6.83 C -ATOM 7884 CB PHE D 136 56.438 -71.787 32.975 1.00 7.72 C -ATOM 7885 CG PHE D 136 55.613 -72.965 33.361 1.00 8.35 C -ATOM 7886 CD1 PHE D 136 55.458 -73.251 34.693 1.00 9.03 C -ATOM 7887 CE1 PHE D 136 54.679 -74.303 35.114 1.00 11.29 C -ATOM 7888 CZ PHE D 136 54.033 -75.058 34.196 1.00 12.34 C -ATOM 7889 CD2 PHE D 136 54.941 -73.736 32.435 1.00 10.86 C -ATOM 7890 CE2 PHE D 136 54.134 -74.777 32.871 1.00 11.80 C -ATOM 7891 C PHE D 136 58.451 -73.134 32.232 1.00 6.63 C -ATOM 7892 O PHE D 136 58.767 -74.254 32.703 1.00 7.13 O -ATOM 7893 N ASP D 137 58.607 -72.824 30.958 1.00 6.87 N -ATOM 7894 CA ASP D 137 59.197 -73.794 30.002 1.00 7.07 C -ATOM 7895 CB ASP D 137 59.287 -73.222 28.594 1.00 7.31 C -ATOM 7896 CG ASP D 137 58.004 -73.413 27.814 1.00 7.54 C -ATOM 7897 OD1 ASP D 137 57.013 -73.904 28.416 1.00 8.37 O -ATOM 7898 OD2 ASP D 137 58.019 -73.101 26.612 1.00 9.08 O -ATOM 7899 C ASP D 137 60.588 -74.182 30.467 1.00 7.42 C -ATOM 7900 O ASP D 137 60.996 -75.380 30.373 1.00 7.94 O -ATOM 7901 N GLU D 138 61.387 -73.242 30.943 1.00 7.43 N -ATOM 7902 CA GLU D 138 62.782 -73.571 31.352 1.00 8.31 C -ATOM 7903 CB GLU D 138 63.604 -72.303 31.559 1.00 9.29 C -ATOM 7904 CG GLU D 138 63.846 -71.600 30.246 1.00 11.16 C -ATOM 7905 CD GLU D 138 64.582 -70.299 30.313 1.00 12.97 C -ATOM 7906 OE1 GLU D 138 64.774 -69.760 31.394 1.00 15.59 O -ATOM 7907 OE2 GLU D 138 65.003 -69.839 29.225 1.00 15.29 O -ATOM 7908 C GLU D 138 62.775 -74.475 32.571 1.00 9.33 C -ATOM 7909 O GLU D 138 63.635 -75.391 32.623 1.00 9.85 O -ATOM 7910 N LEU D 139 61.860 -74.308 33.501 1.00 8.65 N -ATOM 7911 CA LEU D 139 61.756 -75.225 34.653 1.00 8.44 C -ATOM 7912 CB LEU D 139 60.674 -74.739 35.620 1.00 9.02 C -ATOM 7913 CG LEU D 139 60.296 -75.795 36.669 1.00 10.00 C -ATOM 7914 CD1 LEU D 139 61.499 -76.243 37.517 1.00 11.21 C -ATOM 7915 CD2 LEU D 139 59.186 -75.291 37.583 1.00 10.75 C -ATOM 7916 C LEU D 139 61.418 -76.612 34.141 1.00 9.13 C -ATOM 7917 O LEU D 139 62.098 -77.567 34.551 1.00 9.16 O -ATOM 7918 N VAL D 140 60.357 -76.770 33.346 1.00 7.85 N -ATOM 7919 CA VAL D 140 59.895 -78.138 32.999 1.00 8.21 C -ATOM 7920 CB VAL D 140 58.487 -78.181 32.384 1.00 8.30 C -ATOM 7921 CG1 VAL D 140 57.456 -77.573 33.329 1.00 8.85 C -ATOM 7922 CG2 VAL D 140 58.429 -77.521 31.015 1.00 7.43 C -ATOM 7923 C VAL D 140 60.937 -78.818 32.124 1.00 9.00 C -ATOM 7924 O VAL D 140 61.114 -80.047 32.248 1.00 9.38 O -ATOM 7925 N ALA D 141 61.621 -78.079 31.276 1.00 9.15 N -ATOM 7926 CA ALA D 141 62.694 -78.654 30.430 1.00 9.61 C -ATOM 7927 CB ALA D 141 63.094 -77.649 29.388 1.00 9.85 C -ATOM 7928 C ALA D 141 63.881 -79.056 31.319 1.00 9.76 C -ATOM 7929 O ALA D 141 64.534 -80.104 31.026 1.00 11.12 O -ATOM 7930 N ARG D 142 64.225 -78.270 32.329 1.00 9.88 N -ATOM 7931 CA ARG D 142 65.372 -78.614 33.209 1.00 11.28 C -ATOM 7932 CB ARG D 142 65.666 -77.467 34.174 1.00 13.51 C -ATOM 7933 CG ARG D 142 66.838 -77.740 35.099 1.00 14.46 C -ATOM 7934 CD ARG D 142 67.246 -76.493 35.840 1.00 16.04 C -ATOM 7935 NE ARG D 142 66.152 -75.788 36.497 1.00 15.72 N -ATOM 7936 CZ ARG D 142 65.637 -76.114 37.668 1.00 14.81 C -ATOM 7937 NH1 ARG D 142 66.037 -77.192 38.313 1.00 15.81 N -ATOM 7938 NH2 ARG D 142 64.644 -75.411 38.155 1.00 16.38 N -ATOM 7939 C ARG D 142 65.051 -79.902 33.962 1.00 11.56 C -ATOM 7940 O ARG D 142 65.956 -80.767 34.149 1.00 10.98 O -ATOM 7941 N VAL D 143 63.831 -80.072 34.419 1.00 10.05 N -ATOM 7942 CA VAL D 143 63.486 -81.290 35.166 1.00 9.97 C -ATOM 7943 CB VAL D 143 62.150 -81.120 35.873 1.00 10.15 C -ATOM 7944 CG1 VAL D 143 61.708 -82.461 36.390 1.00 10.40 C -ATOM 7945 CG2 VAL D 143 62.237 -80.112 36.992 1.00 10.73 C -ATOM 7946 C VAL D 143 63.435 -82.475 34.201 1.00 9.85 C -ATOM 7947 O VAL D 143 64.045 -83.515 34.511 1.00 10.77 O -ATOM 7948 N PHE D 144 62.651 -82.431 33.124 1.00 9.01 N -ATOM 7949 CA PHE D 144 62.368 -83.628 32.285 1.00 9.06 C -ATOM 7950 CB PHE D 144 60.939 -83.539 31.750 1.00 9.21 C -ATOM 7951 CG PHE D 144 59.916 -83.650 32.822 1.00 8.60 C -ATOM 7952 CD1 PHE D 144 59.712 -84.876 33.451 1.00 8.93 C -ATOM 7953 CE1 PHE D 144 58.771 -85.007 34.450 1.00 10.00 C -ATOM 7954 CZ PHE D 144 58.010 -83.916 34.825 1.00 9.29 C -ATOM 7955 CD2 PHE D 144 59.147 -82.553 33.217 1.00 8.82 C -ATOM 7956 CE2 PHE D 144 58.176 -82.702 34.196 1.00 9.97 C -ATOM 7957 C PHE D 144 63.373 -83.843 31.174 1.00 9.31 C -ATOM 7958 O PHE D 144 63.481 -84.977 30.670 1.00 9.31 O -ATOM 7959 N GLN D 145 64.073 -82.814 30.743 1.00 9.49 N -ATOM 7960 CA GLN D 145 65.113 -82.957 29.698 1.00 10.88 C -ATOM 7961 CB GLN D 145 66.336 -83.688 30.272 1.00 12.72 C -ATOM 7962 CG GLN D 145 67.012 -82.927 31.395 1.00 14.52 C -ATOM 7963 CD GLN D 145 67.684 -81.648 30.945 1.00 16.94 C -ATOM 7964 OE1 GLN D 145 67.976 -81.440 29.770 1.00 21.58 O -ATOM 7965 NE2 GLN D 145 67.962 -80.765 31.893 1.00 18.05 N -ATOM 7966 C GLN D 145 64.499 -83.691 28.493 1.00 10.04 C -ATOM 7967 O GLN D 145 63.428 -83.265 27.958 1.00 11.27 O -ATOM 7968 N GLY D 146 65.156 -84.726 27.999 1.00 9.99 N -ATOM 7969 CA GLY D 146 64.741 -85.362 26.741 1.00 9.73 C -ATOM 7970 C GLY D 146 63.494 -86.214 26.904 1.00 9.10 C -ATOM 7971 O GLY D 146 63.064 -86.789 25.925 1.00 10.25 O -ATOM 7972 N LYS D 147 62.925 -86.348 28.093 1.00 8.50 N -ATOM 7973 CA LYS D 147 61.680 -87.128 28.259 1.00 8.34 C -ATOM 7974 CB LYS D 147 61.367 -87.381 29.738 1.00 8.84 C -ATOM 7975 CG LYS D 147 62.392 -88.219 30.485 1.00 8.89 C -ATOM 7976 CD LYS D 147 62.053 -88.319 31.958 1.00 9.10 C -ATOM 7977 CE LYS D 147 63.082 -89.074 32.774 1.00 9.64 C -ATOM 7978 NZ LYS D 147 63.183 -90.501 32.384 1.00 9.46 N -ATOM 7979 C LYS D 147 60.496 -86.390 27.625 1.00 7.22 C -ATOM 7980 O LYS D 147 59.492 -87.036 27.365 1.00 7.95 O -ATOM 7981 N LEU D 148 60.565 -85.071 27.398 1.00 7.33 N -ATOM 7982 CA LEU D 148 59.350 -84.359 26.927 1.00 7.32 C -ATOM 7983 CB LEU D 148 59.529 -82.853 27.015 1.00 7.81 C -ATOM 7984 CG LEU D 148 59.676 -82.336 28.453 1.00 7.86 C -ATOM 7985 CD1 LEU D 148 59.660 -80.818 28.474 1.00 9.29 C -ATOM 7986 CD2 LEU D 148 58.554 -82.811 29.337 1.00 8.19 C -ATOM 7987 C LEU D 148 59.007 -84.723 25.505 1.00 7.65 C -ATOM 7988 O LEU D 148 59.938 -84.819 24.653 1.00 9.02 O -ATOM 7989 N PHE D 149 57.727 -84.844 25.254 1.00 6.86 N -ATOM 7990 CA PHE D 149 57.126 -84.812 23.914 1.00 6.67 C -ATOM 7991 CB PHE D 149 56.313 -86.071 23.638 1.00 7.52 C -ATOM 7992 CG PHE D 149 55.629 -86.065 22.307 1.00 7.58 C -ATOM 7993 CD1 PHE D 149 56.320 -86.468 21.185 1.00 7.26 C -ATOM 7994 CE1 PHE D 149 55.694 -86.485 19.949 1.00 7.76 C -ATOM 7995 CZ PHE D 149 54.374 -86.140 19.840 1.00 8.12 C -ATOM 7996 CD2 PHE D 149 54.286 -85.749 22.197 1.00 8.19 C -ATOM 7997 CE2 PHE D 149 53.666 -85.771 20.960 1.00 8.29 C -ATOM 7998 C PHE D 149 56.310 -83.528 23.840 1.00 6.33 C -ATOM 7999 O PHE D 149 55.417 -83.390 24.673 1.00 6.96 O -ATOM 8000 N THR D 150 56.601 -82.655 22.908 1.00 6.21 N -ATOM 8001 CA THR D 150 56.084 -81.267 22.906 1.00 6.79 C -ATOM 8002 CB THR D 150 57.244 -80.269 22.955 1.00 7.69 C -ATOM 8003 OG1 THR D 150 57.912 -80.385 21.701 1.00 8.50 O -ATOM 8004 CG2 THR D 150 58.196 -80.503 24.108 1.00 7.33 C -ATOM 8005 C THR D 150 55.254 -80.997 21.663 1.00 6.65 C -ATOM 8006 O THR D 150 55.246 -81.742 20.689 1.00 6.73 O -ATOM 8007 N PRO D 151 54.596 -79.814 21.639 1.00 6.23 N -ATOM 8008 CA PRO D 151 53.867 -79.416 20.431 1.00 6.62 C -ATOM 8009 CB PRO D 151 53.387 -77.987 20.790 1.00 7.53 C -ATOM 8010 CG PRO D 151 53.104 -78.081 22.284 1.00 6.98 C -ATOM 8011 CD PRO D 151 54.258 -78.943 22.791 1.00 6.47 C -ATOM 8012 C PRO D 151 54.719 -79.485 19.149 1.00 6.99 C -ATOM 8013 O PRO D 151 54.220 -79.902 18.155 1.00 7.04 O -ATOM 8014 N GLN D 152 55.976 -79.036 19.236 1.00 7.75 N -ATOM 8015 CA GLN D 152 56.830 -79.048 18.017 1.00 8.66 C -ATOM 8016 CB GLN D 152 58.156 -78.335 18.297 1.00 10.58 C -ATOM 8017 CG GLN D 152 59.117 -78.301 17.111 1.00 12.15 C -ATOM 8018 CD GLN D 152 58.638 -77.423 15.977 1.00 14.02 C -ATOM 8019 OE1 GLN D 152 57.862 -76.477 16.171 1.00 18.92 O -ATOM 8020 NE2 GLN D 152 59.124 -77.641 14.781 1.00 16.77 N -ATOM 8021 C GLN D 152 57.048 -80.498 17.568 1.00 7.17 C -ATOM 8022 O GLN D 152 57.061 -80.743 16.369 1.00 7.36 O -ATOM 8023 N ASP D 153 57.223 -81.428 18.498 1.00 6.70 N -ATOM 8024 CA ASP D 153 57.407 -82.854 18.152 1.00 6.72 C -ATOM 8025 CB ASP D 153 57.635 -83.681 19.399 1.00 7.07 C -ATOM 8026 CG ASP D 153 58.943 -83.418 20.104 1.00 8.19 C -ATOM 8027 OD1 ASP D 153 60.004 -83.393 19.423 1.00 9.55 O -ATOM 8028 OD2 ASP D 153 58.932 -83.276 21.350 1.00 8.98 O -ATOM 8029 C ASP D 153 56.168 -83.337 17.414 1.00 6.51 C -ATOM 8030 O ASP D 153 56.261 -84.018 16.396 1.00 7.10 O -ATOM 8031 N LEU D 154 54.989 -83.011 17.921 1.00 6.24 N -ATOM 8032 CA LEU D 154 53.741 -83.426 17.259 1.00 6.98 C -ATOM 8033 CB LEU D 154 52.551 -83.090 18.154 1.00 6.46 C -ATOM 8034 CG LEU D 154 51.210 -83.498 17.560 1.00 6.48 C -ATOM 8035 CD1 LEU D 154 51.105 -85.000 17.327 1.00 7.17 C -ATOM 8036 CD2 LEU D 154 50.097 -83.048 18.497 1.00 6.69 C -ATOM 8037 C LEU D 154 53.614 -82.787 15.869 1.00 6.66 C -ATOM 8038 O LEU D 154 53.199 -83.478 14.940 1.00 7.31 O -ATOM 8039 N ALA D 155 53.876 -81.495 15.795 1.00 6.20 N -ATOM 8040 CA ALA D 155 53.717 -80.747 14.531 1.00 6.76 C -ATOM 8041 CB ALA D 155 54.086 -79.291 14.820 1.00 7.16 C -ATOM 8042 C ALA D 155 54.616 -81.355 13.462 1.00 7.11 C -ATOM 8043 O ALA D 155 54.171 -81.608 12.337 1.00 6.73 O -ATOM 8044 N THR D 156 55.843 -81.624 13.811 1.00 7.43 N -ATOM 8045 CA THR D 156 56.759 -82.225 12.834 1.00 8.31 C -ATOM 8046 CB THR D 156 58.195 -82.105 13.296 1.00 10.16 C -ATOM 8047 OG1 THR D 156 58.292 -82.716 14.569 1.00 13.16 O -ATOM 8048 CG2 THR D 156 58.667 -80.680 13.330 1.00 10.71 C -ATOM 8049 C THR D 156 56.340 -83.649 12.503 1.00 8.34 C -ATOM 8050 O THR D 156 56.436 -84.017 11.328 1.00 8.12 O -ATOM 8051 N HIS D 157 55.797 -84.385 13.455 1.00 7.62 N -ATOM 8052 CA HIS D 157 55.274 -85.751 13.180 1.00 7.99 C -ATOM 8053 CB HIS D 157 54.725 -86.349 14.484 1.00 8.23 C -ATOM 8054 CG HIS D 157 54.219 -87.740 14.289 1.00 9.54 C -ATOM 8055 ND1 HIS D 157 55.109 -88.781 14.118 1.00 11.64 N -ATOM 8056 CE1 HIS D 157 54.434 -89.904 13.997 1.00 12.87 C -ATOM 8057 NE2 HIS D 157 53.132 -89.616 14.021 1.00 12.97 N -ATOM 8058 CD2 HIS D 157 52.974 -88.265 14.212 1.00 11.01 C -ATOM 8059 C HIS D 157 54.228 -85.707 12.059 1.00 8.54 C -ATOM 8060 O HIS D 157 54.192 -86.636 11.245 1.00 8.68 O -ATOM 8061 N ILE D 158 53.364 -84.686 12.049 1.00 9.04 N -ATOM 8062 CA ILE D 158 52.286 -84.618 11.025 1.00 8.77 C -ATOM 8063 CB ILE D 158 50.931 -84.218 11.646 1.00 8.75 C -ATOM 8064 CG1 ILE D 158 50.892 -82.782 12.171 1.00 8.31 C -ATOM 8065 CG2 ILE D 158 50.534 -85.201 12.728 1.00 9.30 C -ATOM 8066 CD1 ILE D 158 49.509 -82.320 12.377 1.00 8.22 C -ATOM 8067 C ILE D 158 52.640 -83.658 9.880 1.00 8.27 C -ATOM 8068 O ILE D 158 51.805 -83.472 8.994 1.00 9.24 O -ATOM 8069 N GLY D 159 53.838 -83.076 9.822 1.00 8.14 N -ATOM 8070 CA GLY D 159 54.198 -82.167 8.708 1.00 8.60 C -ATOM 8071 C GLY D 159 53.505 -80.821 8.741 1.00 7.83 C -ATOM 8072 O GLY D 159 53.156 -80.304 7.685 1.00 8.58 O -ATOM 8073 N SER D 160 53.220 -80.314 9.919 1.00 7.50 N -ATOM 8074 CA SER D 160 52.533 -79.027 10.154 1.00 7.29 C -ATOM 8075 CB SER D 160 51.318 -79.309 11.017 1.00 7.16 C -ATOM 8076 OG SER D 160 50.544 -78.139 11.257 1.00 7.38 O -ATOM 8077 C SER D 160 53.488 -78.061 10.826 1.00 7.03 C -ATOM 8078 O SER D 160 54.321 -78.480 11.652 1.00 7.69 O -ATOM 8079 N GLY D 161 53.251 -76.781 10.664 1.00 7.21 N -ATOM 8080 CA GLY D 161 53.716 -75.789 11.636 1.00 8.00 C -ATOM 8081 C GLY D 161 52.999 -76.021 12.943 1.00 6.80 C -ATOM 8082 O GLY D 161 51.803 -76.451 12.975 1.00 7.44 O -ATOM 8083 N ALA D 162 53.637 -75.754 14.055 1.00 7.48 N -ATOM 8084 CA ALA D 162 52.979 -75.920 15.354 1.00 7.36 C -ATOM 8085 CB ALA D 162 53.966 -75.687 16.463 1.00 7.79 C -ATOM 8086 C ALA D 162 51.763 -74.991 15.443 1.00 6.39 C -ATOM 8087 O ALA D 162 50.799 -75.391 16.108 1.00 6.76 O -ATOM 8088 N GLY D 163 51.818 -73.793 14.858 1.00 6.47 N -ATOM 8089 CA GLY D 163 50.685 -72.851 14.870 1.00 6.71 C -ATOM 8090 C GLY D 163 49.523 -73.299 14.000 1.00 5.86 C -ATOM 8091 O GLY D 163 48.518 -72.574 13.946 1.00 5.37 O -ATOM 8092 N ALA D 164 49.632 -74.431 13.290 1.00 6.11 N -ATOM 8093 CA ALA D 164 48.531 -74.975 12.462 1.00 6.51 C -ATOM 8094 CB ALA D 164 48.926 -74.970 11.013 1.00 7.29 C -ATOM 8095 C ALA D 164 48.119 -76.347 12.971 1.00 6.21 C -ATOM 8096 O ALA D 164 47.380 -77.043 12.266 1.00 6.42 O -ATOM 8097 N LEU D 165 48.525 -76.731 14.179 1.00 5.50 N -ATOM 8098 CA LEU D 165 48.083 -78.032 14.749 1.00 5.84 C -ATOM 8099 CB LEU D 165 48.654 -78.221 16.153 1.00 6.31 C -ATOM 8100 CG LEU D 165 50.104 -78.687 16.236 1.00 6.53 C -ATOM 8101 CD1 LEU D 165 50.629 -78.535 17.630 1.00 7.56 C -ATOM 8102 CD2 LEU D 165 50.264 -80.118 15.750 1.00 7.01 C -ATOM 8103 C LEU D 165 46.568 -78.101 14.817 1.00 5.58 C -ATOM 8104 O LEU D 165 45.977 -79.189 14.591 1.00 5.88 O -ATOM 8105 N GLN D 166 45.920 -77.012 15.182 1.00 5.03 N -ATOM 8106 CA GLN D 166 44.460 -77.012 15.468 1.00 5.18 C -ATOM 8107 CB GLN D 166 43.976 -75.554 15.536 1.00 5.40 C -ATOM 8108 CG GLN D 166 42.478 -75.481 15.812 1.00 5.45 C -ATOM 8109 CD GLN D 166 41.963 -74.076 15.896 1.00 5.56 C -ATOM 8110 OE1 GLN D 166 42.343 -73.207 15.140 1.00 6.13 O -ATOM 8111 NE2 GLN D 166 41.023 -73.854 16.805 1.00 5.74 N -ATOM 8112 C GLN D 166 43.716 -77.774 14.376 1.00 5.18 C -ATOM 8113 O GLN D 166 42.943 -78.694 14.687 1.00 5.79 O -ATOM 8114 N GLY D 167 43.861 -77.333 13.135 1.00 5.32 N -ATOM 8115 CA GLY D 167 43.148 -77.915 11.987 1.00 5.75 C -ATOM 8116 C GLY D 167 43.942 -78.993 11.286 1.00 5.71 C -ATOM 8117 O GLY D 167 43.339 -79.904 10.728 1.00 6.56 O -ATOM 8118 N ASN D 168 45.261 -78.933 11.275 1.00 6.07 N -ATOM 8119 CA ASN D 168 46.007 -79.980 10.527 1.00 6.15 C -ATOM 8120 CB ASN D 168 47.444 -79.521 10.244 1.00 6.79 C -ATOM 8121 CG ASN D 168 47.556 -78.481 9.158 1.00 6.83 C -ATOM 8122 OD1 ASN D 168 46.644 -78.329 8.338 1.00 9.27 O -ATOM 8123 ND2 ASN D 168 48.613 -77.722 9.123 1.00 6.97 N -ATOM 8124 C ASN D 168 46.020 -81.317 11.253 1.00 6.02 C -ATOM 8125 O ASN D 168 46.227 -82.321 10.583 1.00 7.04 O -ATOM 8126 N LEU D 169 45.702 -81.377 12.530 1.00 6.26 N -ATOM 8127 CA LEU D 169 45.590 -82.674 13.232 1.00 6.39 C -ATOM 8128 CB LEU D 169 45.486 -82.479 14.745 1.00 6.14 C -ATOM 8129 CG LEU D 169 46.805 -82.276 15.447 1.00 6.06 C -ATOM 8130 CD1 LEU D 169 46.610 -81.716 16.834 1.00 6.54 C -ATOM 8131 CD2 LEU D 169 47.603 -83.576 15.490 1.00 6.78 C -ATOM 8132 C LEU D 169 44.385 -83.443 12.718 1.00 6.86 C -ATOM 8133 O LEU D 169 44.374 -84.671 12.939 1.00 6.76 O -ATOM 8134 N LYS D 170 43.360 -82.798 12.185 1.00 7.05 N -ATOM 8135 CA LYS D 170 42.161 -83.546 11.782 1.00 8.38 C -ATOM 8136 CB LYS D 170 41.167 -82.542 11.211 1.00 8.67 C -ATOM 8137 CG LYS D 170 39.777 -83.107 10.918 1.00 10.38 C -ATOM 8138 CD LYS D 170 38.888 -82.158 10.160 1.00 12.09 C -ATOM 8139 CE LYS D 170 39.387 -81.996 8.744 1.00 12.80 C -ATOM 8140 NZ LYS D 170 38.411 -81.404 7.830 1.00 15.07 N -ATOM 8141 C LYS D 170 42.525 -84.625 10.756 1.00 9.16 C -ATOM 8142 O LYS D 170 43.129 -84.320 9.778 1.00 10.52 O -ATOM 8143 N GLY D 171 42.098 -85.845 11.027 1.00 11.50 N -ATOM 8144 CA GLY D 171 42.387 -86.993 10.160 1.00 12.08 C -ATOM 8145 C GLY D 171 43.783 -87.541 10.355 1.00 12.77 C -ATOM 8146 O GLY D 171 44.134 -88.485 9.575 1.00 18.37 O -ATOM 8147 N LYS D 172 44.545 -87.096 11.361 1.00 11.48 N -ATOM 8148 CA LYS D 172 45.927 -87.605 11.525 1.00 10.62 C -ATOM 8149 CB LYS D 172 46.894 -86.462 11.364 1.00 11.56 C -ATOM 8150 CG LYS D 172 46.649 -85.807 10.011 1.00 13.21 C -ATOM 8151 CD LYS D 172 47.775 -85.012 9.538 1.00 14.26 C -ATOM 8152 CE LYS D 172 47.643 -84.440 8.152 1.00 15.32 C -ATOM 8153 NZ LYS D 172 46.543 -83.485 8.053 1.00 14.71 N -ATOM 8154 C LYS D 172 46.087 -88.353 12.828 1.00 10.00 C -ATOM 8155 O LYS D 172 45.360 -88.134 13.838 1.00 10.52 O -ATOM 8156 N SER D 173 47.127 -89.163 12.859 1.00 8.66 N -ATOM 8157 CA SER D 173 47.480 -89.977 14.033 1.00 8.99 C -ATOM 8158 CB SER D 173 47.891 -91.358 13.617 1.00 9.43 C -ATOM 8159 OG SER D 173 46.820 -92.036 13.057 1.00 9.90 O -ATOM 8160 C SER D 173 48.650 -89.334 14.770 1.00 8.45 C -ATOM 8161 O SER D 173 49.648 -88.954 14.153 1.00 9.50 O -ATOM 8162 N TRP D 174 48.534 -89.234 16.094 1.00 7.68 N -ATOM 8163 CA TRP D 174 49.700 -88.995 16.944 1.00 7.67 C -ATOM 8164 CB TRP D 174 49.218 -88.778 18.372 1.00 7.30 C -ATOM 8165 CG TRP D 174 48.454 -87.522 18.633 1.00 7.53 C -ATOM 8166 CD1 TRP D 174 47.412 -87.006 17.924 1.00 7.22 C -ATOM 8167 NE1 TRP D 174 46.976 -85.849 18.521 1.00 7.20 N -ATOM 8168 CE2 TRP D 174 47.751 -85.580 19.603 1.00 6.85 C -ATOM 8169 CD2 TRP D 174 48.696 -86.629 19.730 1.00 7.04 C -ATOM 8170 CE3 TRP D 174 49.627 -86.529 20.761 1.00 7.70 C -ATOM 8171 CZ3 TRP D 174 49.588 -85.441 21.612 1.00 7.86 C -ATOM 8172 CH2 TRP D 174 48.619 -84.440 21.464 1.00 8.21 C -ATOM 8173 CZ2 TRP D 174 47.692 -84.493 20.471 1.00 7.51 C -ATOM 8174 C TRP D 174 50.597 -90.221 16.897 1.00 7.51 C -ATOM 8175 O TRP D 174 50.187 -91.299 16.496 1.00 8.16 O -ATOM 8176 N PRO D 175 51.839 -90.095 17.368 1.00 7.48 N -ATOM 8177 CA PRO D 175 52.686 -91.261 17.606 1.00 7.67 C -ATOM 8178 CB PRO D 175 53.969 -90.701 18.236 1.00 7.42 C -ATOM 8179 CG PRO D 175 53.990 -89.212 17.773 1.00 7.59 C -ATOM 8180 CD PRO D 175 52.507 -88.853 17.796 1.00 7.80 C -ATOM 8181 C PRO D 175 51.984 -92.256 18.521 1.00 7.42 C -ATOM 8182 O PRO D 175 51.120 -91.903 19.297 1.00 7.35 O -ATOM 8183 N THR D 176 52.352 -93.520 18.335 1.00 7.11 N -ATOM 8184 CA THR D 176 51.741 -94.596 19.132 1.00 7.83 C -ATOM 8185 CB THR D 176 52.023 -95.978 18.537 1.00 8.22 C -ATOM 8186 OG1 THR D 176 53.422 -96.179 18.642 1.00 9.13 O -ATOM 8187 CG2 THR D 176 51.529 -96.101 17.104 1.00 8.41 C -ATOM 8188 C THR D 176 52.310 -94.532 20.546 1.00 7.84 C -ATOM 8189 O THR D 176 53.341 -93.915 20.801 1.00 7.94 O -ATOM 8190 N ALA D 177 51.649 -95.219 21.470 1.00 7.70 N -ATOM 8191 CA ALA D 177 52.188 -95.346 22.830 1.00 8.38 C -ATOM 8192 CB ALA D 177 51.238 -96.126 23.683 1.00 8.44 C -ATOM 8193 C ALA D 177 53.570 -95.998 22.790 1.00 8.13 C -ATOM 8194 O ALA D 177 54.428 -95.586 23.560 1.00 8.48 O -ATOM 8195 N ASN D 178 53.797 -96.965 21.878 1.00 9.08 N -ATOM 8196 CA ASN D 178 55.144 -97.566 21.724 1.00 10.05 C -ATOM 8197 CB ASN D 178 55.130 -98.696 20.687 1.00 11.89 C -ATOM 8198 CG ASN D 178 56.473 -99.347 20.464 1.00 16.54 C -ATOM 8199 OD1 ASN D 178 57.092 -99.811 21.410 1.00 20.83 O -ATOM 8200 ND2 ASN D 178 56.863 -99.456 19.204 1.00 21.03 N -ATOM 8201 C ASN D 178 56.161 -96.486 21.330 1.00 9.38 C -ATOM 8202 O ASN D 178 57.249 -96.431 21.898 1.00 9.17 O -ATOM 8203 N ASP D 179 55.800 -95.669 20.338 1.00 9.52 N -ATOM 8204 CA ASP D 179 56.663 -94.556 19.893 1.00 9.75 C -ATOM 8205 CB ASP D 179 55.976 -93.674 18.844 1.00 9.58 C -ATOM 8206 CG ASP D 179 55.751 -94.316 17.493 1.00 10.15 C -ATOM 8207 OD1 ASP D 179 56.545 -95.231 17.164 1.00 12.76 O -ATOM 8208 OD2 ASP D 179 54.769 -93.967 16.830 1.00 10.48 O -ATOM 8209 C ASP D 179 56.968 -93.623 21.061 1.00 8.85 C -ATOM 8210 O ASP D 179 58.082 -93.085 21.161 1.00 10.48 O -ATOM 8211 N LEU D 180 56.016 -93.474 21.983 1.00 8.87 N -ATOM 8212 CA LEU D 180 56.126 -92.506 23.107 1.00 8.88 C -ATOM 8213 CB LEU D 180 54.770 -91.837 23.279 1.00 9.25 C -ATOM 8214 CG LEU D 180 54.315 -90.957 22.112 1.00 9.47 C -ATOM 8215 CD1 LEU D 180 52.922 -90.425 22.416 1.00 9.90 C -ATOM 8216 CD2 LEU D 180 55.290 -89.818 21.840 1.00 10.47 C -ATOM 8217 C LEU D 180 56.574 -93.182 24.396 1.00 8.56 C -ATOM 8218 O LEU D 180 56.487 -92.574 25.466 1.00 7.96 O -ATOM 8219 N GLN D 181 57.152 -94.396 24.314 1.00 9.10 N -ATOM 8220 CA GLN D 181 57.618 -95.049 25.549 1.00 10.47 C -ATOM 8221 CB GLN D 181 58.140 -96.465 25.292 1.00 13.48 C -ATOM 8222 CG GLN D 181 59.318 -96.705 24.384 1.00 16.79 C -ATOM 8223 CD GLN D 181 59.357 -98.224 24.282 1.00 20.44 C -ATOM 8224 OE1 GLN D 181 59.893 -98.912 25.156 1.00 26.31 O -ATOM 8225 NE2 GLN D 181 58.706 -98.776 23.268 1.00 23.15 N -ATOM 8226 C GLN D 181 58.634 -94.145 26.240 1.00 8.78 C -ATOM 8227 O GLN D 181 59.465 -93.543 25.590 1.00 8.83 O -ATOM 8228 N GLY D 182 58.508 -94.059 27.554 1.00 8.49 N -ATOM 8229 CA GLY D 182 59.452 -93.264 28.359 1.00 8.81 C -ATOM 8230 C GLY D 182 59.202 -91.768 28.260 1.00 8.31 C -ATOM 8231 O GLY D 182 60.010 -91.015 28.797 1.00 10.03 O -ATOM 8232 N LYS D 183 58.131 -91.319 27.604 1.00 8.07 N -ATOM 8233 CA LYS D 183 57.942 -89.861 27.409 1.00 7.76 C -ATOM 8234 CB LYS D 183 57.409 -89.532 26.012 1.00 7.80 C -ATOM 8235 CG LYS D 183 58.364 -89.895 24.861 1.00 8.85 C -ATOM 8236 CD LYS D 183 59.680 -89.167 24.928 1.00 9.76 C -ATOM 8237 CE LYS D 183 60.766 -89.677 24.008 1.00 10.41 C -ATOM 8238 NZ LYS D 183 61.989 -88.852 24.059 1.00 10.63 N -ATOM 8239 C LYS D 183 56.995 -89.305 28.467 1.00 7.70 C -ATOM 8240 O LYS D 183 56.182 -90.017 29.095 1.00 7.87 O -ATOM 8241 N VAL D 184 57.105 -87.978 28.586 1.00 7.72 N -ATOM 8242 CA VAL D 184 56.208 -87.142 29.424 1.00 7.43 C -ATOM 8243 CB VAL D 184 57.016 -86.536 30.591 1.00 8.21 C -ATOM 8244 CG1 VAL D 184 56.178 -85.548 31.386 1.00 8.97 C -ATOM 8245 CG2 VAL D 184 57.518 -87.650 31.504 1.00 8.42 C -ATOM 8246 C VAL D 184 55.583 -86.066 28.538 1.00 7.29 C -ATOM 8247 O VAL D 184 56.311 -85.386 27.801 1.00 7.36 O -ATOM 8248 N LEU D 185 54.273 -85.916 28.617 1.00 6.61 N -ATOM 8249 CA LEU D 185 53.524 -84.842 27.914 1.00 6.76 C -ATOM 8250 CB LEU D 185 52.362 -85.430 27.112 1.00 7.28 C -ATOM 8251 CG LEU D 185 52.687 -86.164 25.804 1.00 7.80 C -ATOM 8252 CD1 LEU D 185 53.413 -87.463 26.042 1.00 8.44 C -ATOM 8253 CD2 LEU D 185 51.428 -86.347 24.977 1.00 8.92 C -ATOM 8254 C LEU D 185 52.987 -83.920 28.986 1.00 6.38 C -ATOM 8255 O LEU D 185 52.347 -84.385 29.922 1.00 8.10 O -ATOM 8256 N LEU D 186 53.167 -82.632 28.796 1.00 6.38 N -ATOM 8257 CA LEU D 186 52.735 -81.615 29.755 1.00 6.60 C -ATOM 8258 CB LEU D 186 53.879 -80.654 30.046 1.00 6.88 C -ATOM 8259 CG LEU D 186 55.146 -81.301 30.588 1.00 7.85 C -ATOM 8260 CD1 LEU D 186 56.247 -80.288 30.743 1.00 8.96 C -ATOM 8261 CD2 LEU D 186 54.892 -82.079 31.865 1.00 8.86 C -ATOM 8262 C LEU D 186 51.568 -80.849 29.156 1.00 6.12 C -ATOM 8263 O LEU D 186 51.615 -80.486 27.944 1.00 6.58 O -ATOM 8264 N VAL D 187 50.564 -80.605 29.973 1.00 6.13 N -ATOM 8265 CA VAL D 187 49.321 -79.964 29.501 1.00 6.05 C -ATOM 8266 CB VAL D 187 48.183 -80.965 29.528 1.00 6.47 C -ATOM 8267 CG1 VAL D 187 46.954 -80.317 28.931 1.00 6.64 C -ATOM 8268 CG2 VAL D 187 48.505 -82.265 28.811 1.00 7.00 C -ATOM 8269 C VAL D 187 48.998 -78.775 30.387 1.00 6.61 C -ATOM 8270 O VAL D 187 49.046 -78.896 31.626 1.00 7.77 O -ATOM 8271 N LEU D 188 48.664 -77.641 29.796 1.00 6.13 N -ATOM 8272 CA LEU D 188 48.290 -76.427 30.560 1.00 5.85 C -ATOM 8273 CB LEU D 188 48.928 -75.185 29.944 1.00 6.23 C -ATOM 8274 CG LEU D 188 48.790 -73.882 30.718 1.00 6.27 C -ATOM 8275 CD1 LEU D 188 49.477 -73.960 32.060 1.00 7.22 C -ATOM 8276 CD2 LEU D 188 49.286 -72.685 29.914 1.00 6.05 C -ATOM 8277 C LEU D 188 46.791 -76.263 30.598 1.00 5.88 C -ATOM 8278 O LEU D 188 46.144 -76.255 29.565 1.00 5.81 O -ATOM 8279 N ASN D 189 46.269 -76.133 31.799 1.00 6.01 N -ATOM 8280 CA ASN D 189 44.882 -75.736 32.048 1.00 6.08 C -ATOM 8281 CB ASN D 189 44.067 -76.805 32.787 1.00 6.57 C -ATOM 8282 CG ASN D 189 43.831 -78.093 32.016 1.00 6.64 C -ATOM 8283 OD1 ASN D 189 44.050 -78.245 30.795 1.00 9.37 O -ATOM 8284 ND2 ASN D 189 43.301 -79.059 32.709 1.00 6.15 N -ATOM 8285 C ASN D 189 44.868 -74.450 32.868 1.00 6.00 C -ATOM 8286 O ASN D 189 45.859 -74.117 33.555 1.00 6.13 O -ATOM 8287 N HIS D 190 43.747 -73.773 32.805 1.00 6.28 N -ATOM 8288 CA HIS D 190 43.453 -72.579 33.624 1.00 6.39 C -ATOM 8289 CB HIS D 190 44.240 -71.363 33.120 1.00 6.53 C -ATOM 8290 CG HIS D 190 44.265 -70.184 34.045 1.00 6.19 C -ATOM 8291 ND1 HIS D 190 43.169 -69.345 34.182 1.00 7.11 N -ATOM 8292 CE1 HIS D 190 43.472 -68.420 35.061 1.00 7.59 C -ATOM 8293 NE2 HIS D 190 44.715 -68.599 35.521 1.00 7.90 N -ATOM 8294 CD2 HIS D 190 45.215 -69.702 34.906 1.00 7.43 C -ATOM 8295 C HIS D 190 41.947 -72.356 33.541 1.00 7.07 C -ATOM 8296 O HIS D 190 41.317 -72.746 32.574 1.00 7.19 O -ATOM 8297 N SER D 191 41.348 -71.699 34.522 1.00 7.25 N -ATOM 8298 CA SER D 191 39.930 -71.325 34.427 1.00 7.98 C -ATOM 8299 CB SER D 191 39.440 -70.788 35.740 1.00 10.60 C -ATOM 8300 OG SER D 191 39.982 -69.512 36.010 1.00 14.97 O -ATOM 8301 C SER D 191 39.712 -70.358 33.269 1.00 7.31 C -ATOM 8302 O SER D 191 38.543 -70.318 32.794 1.00 8.57 O -ATOM 8303 N GLU D 192 40.709 -69.557 32.903 1.00 6.44 N -ATOM 8304 CA GLU D 192 40.563 -68.534 31.845 1.00 6.84 C -ATOM 8305 CB GLU D 192 41.027 -67.201 32.395 1.00 7.83 C -ATOM 8306 CG GLU D 192 40.248 -66.693 33.601 1.00 9.89 C -ATOM 8307 CD GLU D 192 40.896 -65.496 34.287 1.00 13.05 C -ATOM 8308 OE1 GLU D 192 41.704 -64.809 33.639 1.00 16.54 O -ATOM 8309 OE2 GLU D 192 40.622 -65.283 35.482 1.00 21.08 O -ATOM 8310 C GLU D 192 41.406 -68.923 30.642 1.00 6.33 C -ATOM 8311 O GLU D 192 42.637 -68.972 30.758 1.00 5.96 O -ATOM 8312 N ASN D 193 40.757 -69.092 29.505 1.00 5.42 N -ATOM 8313 CA ASN D 193 41.530 -69.377 28.280 1.00 5.46 C -ATOM 8314 CB ASN D 193 40.559 -69.636 27.138 1.00 5.74 C -ATOM 8315 CG ASN D 193 39.843 -70.953 27.251 1.00 5.51 C -ATOM 8316 OD1 ASN D 193 40.210 -71.816 28.016 1.00 6.22 O -ATOM 8317 ND2 ASN D 193 38.804 -71.137 26.439 1.00 5.76 N -ATOM 8318 C ASN D 193 42.513 -68.260 27.948 1.00 5.31 C -ATOM 8319 O ASN D 193 43.500 -68.541 27.291 1.00 5.09 O -ATOM 8320 N GLN D 194 42.247 -67.050 28.416 1.00 5.45 N -ATOM 8321 CA GLN D 194 43.198 -65.943 28.190 1.00 5.81 C -ATOM 8322 CB GLN D 194 42.682 -64.725 28.978 1.00 6.70 C -ATOM 8323 CG GLN D 194 41.440 -64.038 28.391 1.00 8.64 C -ATOM 8324 CD GLN D 194 40.106 -64.664 28.742 1.00 9.37 C -ATOM 8325 OE1 GLN D 194 39.982 -65.724 29.374 1.00 9.53 O -ATOM 8326 NE2 GLN D 194 39.037 -64.064 28.236 1.00 10.85 N -ATOM 8327 C GLN D 194 44.617 -66.310 28.656 1.00 5.42 C -ATOM 8328 O GLN D 194 45.580 -65.904 28.031 1.00 5.33 O -ATOM 8329 N LYS D 195 44.758 -67.039 29.768 1.00 5.51 N -ATOM 8330 CA LYS D 195 46.118 -67.398 30.251 1.00 5.39 C -ATOM 8331 CB LYS D 195 46.095 -67.906 31.693 1.00 6.20 C -ATOM 8332 CG LYS D 195 46.179 -66.792 32.739 1.00 7.48 C -ATOM 8333 CD LYS D 195 45.072 -65.760 32.735 1.00 8.14 C -ATOM 8334 CE LYS D 195 45.224 -64.796 33.898 1.00 8.55 C -ATOM 8335 NZ LYS D 195 44.146 -63.778 33.947 1.00 10.61 N -ATOM 8336 C LYS D 195 46.791 -68.380 29.312 1.00 5.31 C -ATOM 8337 O LYS D 195 48.030 -68.360 29.195 1.00 5.62 O -ATOM 8338 N LEU D 196 46.027 -69.260 28.682 1.00 5.16 N -ATOM 8339 CA LEU D 196 46.599 -70.200 27.688 1.00 5.36 C -ATOM 8340 CB LEU D 196 45.585 -71.293 27.340 1.00 5.53 C -ATOM 8341 CG LEU D 196 45.557 -72.475 28.305 1.00 6.17 C -ATOM 8342 CD1 LEU D 196 45.386 -72.096 29.773 1.00 6.57 C -ATOM 8343 CD2 LEU D 196 44.464 -73.435 27.881 1.00 6.85 C -ATOM 8344 C LEU D 196 46.985 -69.384 26.461 1.00 5.01 C -ATOM 8345 O LEU D 196 48.012 -69.684 25.801 1.00 5.43 O -ATOM 8346 N SER D 197 46.180 -68.397 26.102 1.00 5.12 N -ATOM 8347 CA SER D 197 46.434 -67.585 24.898 1.00 5.12 C -ATOM 8348 CB SER D 197 45.300 -66.642 24.608 1.00 5.10 C -ATOM 8349 OG SER D 197 45.411 -66.092 23.324 1.00 5.45 O -ATOM 8350 C SER D 197 47.732 -66.810 25.126 1.00 5.37 C -ATOM 8351 O SER D 197 48.558 -66.690 24.195 1.00 5.89 O -ATOM 8352 N GLN D 198 47.934 -66.314 26.339 1.00 5.29 N -ATOM 8353 CA GLN D 198 49.168 -65.575 26.682 1.00 5.72 C -ATOM 8354 CB GLN D 198 48.996 -65.018 28.085 1.00 5.80 C -ATOM 8355 CG GLN D 198 48.083 -63.811 28.118 1.00 7.07 C -ATOM 8356 CD GLN D 198 47.583 -63.590 29.521 1.00 8.75 C -ATOM 8357 OE1 GLN D 198 47.952 -64.233 30.505 1.00 11.53 O -ATOM 8358 NE2 GLN D 198 46.604 -62.718 29.647 1.00 12.24 N -ATOM 8359 C GLN D 198 50.363 -66.524 26.589 1.00 5.60 C -ATOM 8360 O GLN D 198 51.414 -66.119 26.068 1.00 6.22 O -ATOM 8361 N TYR D 199 50.238 -67.730 27.108 1.00 5.67 N -ATOM 8362 CA TYR D 199 51.324 -68.719 27.033 1.00 5.59 C -ATOM 8363 CB TYR D 199 50.944 -70.002 27.762 1.00 5.77 C -ATOM 8364 CG TYR D 199 51.945 -71.101 27.625 1.00 5.70 C -ATOM 8365 CD1 TYR D 199 53.072 -71.161 28.412 1.00 5.67 C -ATOM 8366 CE1 TYR D 199 54.019 -72.139 28.246 1.00 5.76 C -ATOM 8367 CZ TYR D 199 53.869 -73.065 27.254 1.00 6.08 C -ATOM 8368 OH TYR D 199 54.823 -74.007 27.000 1.00 6.59 O -ATOM 8369 CE2 TYR D 199 52.760 -73.022 26.430 1.00 6.26 C -ATOM 8370 CD2 TYR D 199 51.801 -72.047 26.619 1.00 5.70 C -ATOM 8371 C TYR D 199 51.689 -68.967 25.572 1.00 5.16 C -ATOM 8372 O TYR D 199 52.887 -68.947 25.219 1.00 5.65 O -ATOM 8373 N ALA D 200 50.727 -69.261 24.722 1.00 5.30 N -ATOM 8374 CA ALA D 200 50.993 -69.623 23.322 1.00 5.55 C -ATOM 8375 CB ALA D 200 49.748 -70.165 22.664 1.00 5.65 C -ATOM 8376 C ALA D 200 51.555 -68.427 22.584 1.00 5.44 C -ATOM 8377 O ALA D 200 52.478 -68.598 21.740 1.00 5.79 O -ATOM 8378 N GLU D 201 51.057 -67.236 22.848 1.00 5.35 N -ATOM 8379 CA GLU D 201 51.614 -66.049 22.175 1.00 5.84 C -ATOM 8380 CB GLU D 201 50.788 -64.817 22.518 1.00 6.88 C -ATOM 8381 CG GLU D 201 51.346 -63.555 21.855 1.00 8.22 C -ATOM 8382 CD GLU D 201 50.479 -62.315 21.961 1.00 8.26 C -ATOM 8383 OE1 GLU D 201 49.375 -62.418 22.551 1.00 10.92 O -ATOM 8384 OE2 GLU D 201 50.899 -61.249 21.472 1.00 9.30 O -ATOM 8385 C GLU D 201 53.088 -65.869 22.547 1.00 5.60 C -ATOM 8386 O GLU D 201 53.914 -65.449 21.689 1.00 6.21 O -ATOM 8387 N ALA D 202 53.426 -66.120 23.801 1.00 5.59 N -ATOM 8388 CA ALA D 202 54.809 -65.931 24.266 1.00 6.26 C -ATOM 8389 CB ALA D 202 54.850 -65.903 25.765 1.00 6.73 C -ATOM 8390 C ALA D 202 55.722 -67.015 23.681 1.00 6.63 C -ATOM 8391 O ALA D 202 56.875 -66.719 23.339 1.00 7.44 O -ATOM 8392 N ARG D 203 55.287 -68.263 23.624 1.00 5.88 N -ATOM 8393 CA ARG D 203 56.231 -69.367 23.379 1.00 6.40 C -ATOM 8394 CB ARG D 203 55.957 -70.533 24.333 1.00 6.82 C -ATOM 8395 CG ARG D 203 56.149 -70.192 25.806 1.00 7.98 C -ATOM 8396 CD ARG D 203 57.436 -69.431 26.085 1.00 8.43 C -ATOM 8397 NE ARG D 203 58.609 -70.248 25.701 1.00 9.21 N -ATOM 8398 CZ ARG D 203 59.720 -69.758 25.139 1.00 9.75 C -ATOM 8399 NH1 ARG D 203 59.805 -68.484 24.856 1.00 12.01 N -ATOM 8400 NH2 ARG D 203 60.706 -70.553 24.772 1.00 12.14 N -ATOM 8401 C ARG D 203 56.128 -69.878 21.947 1.00 6.42 C -ATOM 8402 O ARG D 203 57.085 -70.549 21.496 1.00 7.09 O -ATOM 8403 N THR D 204 54.998 -69.668 21.278 1.00 7.03 N -ATOM 8404 CA THR D 204 54.734 -70.162 19.925 1.00 7.40 C -ATOM 8405 CB THR D 204 55.138 -69.123 18.876 1.00 7.79 C -ATOM 8406 OG1 THR D 204 56.545 -68.885 18.953 1.00 8.88 O -ATOM 8407 CG2 THR D 204 54.395 -67.824 19.053 1.00 8.66 C -ATOM 8408 C THR D 204 55.299 -71.568 19.738 1.00 7.02 C -ATOM 8409 O THR D 204 54.963 -72.432 20.517 1.00 7.30 O -ATOM 8410 N SER D 205 56.073 -71.796 18.689 1.00 7.43 N -ATOM 8411 CA SER D 205 56.461 -73.168 18.307 1.00 8.99 C -ATOM 8412 CB SER D 205 57.076 -73.220 16.938 1.00 10.98 C -ATOM 8413 OG SER D 205 58.223 -72.404 16.869 1.00 17.29 O -ATOM 8414 C SER D 205 57.431 -73.738 19.315 1.00 8.51 C -ATOM 8415 O SER D 205 57.688 -74.959 19.218 1.00 9.62 O -ATOM 8416 N LYS D 206 58.040 -72.918 20.168 1.00 8.31 N -ATOM 8417 CA LYS D 206 59.017 -73.429 21.147 1.00 8.74 C -ATOM 8418 CB LYS D 206 59.950 -72.286 21.534 1.00 10.15 C -ATOM 8419 CG LYS D 206 60.764 -71.753 20.360 1.00 12.64 C -ATOM 8420 CD LYS D 206 61.446 -70.445 20.666 1.00 16.78 C -ATOM 8421 CE LYS D 206 60.434 -69.311 20.654 1.00 20.76 C -ATOM 8422 NZ LYS D 206 61.046 -67.961 20.757 1.00 23.37 N -ATOM 8423 C LYS D 206 58.343 -73.962 22.408 1.00 8.16 C -ATOM 8424 O LYS D 206 59.045 -74.580 23.251 1.00 8.10 O -ATOM 8425 N ALA D 207 57.035 -73.823 22.543 1.00 6.79 N -ATOM 8426 CA ALA D 207 56.337 -74.228 23.765 1.00 7.30 C -ATOM 8427 CB ALA D 207 54.861 -74.200 23.557 1.00 7.47 C -ATOM 8428 C ALA D 207 56.718 -75.650 24.174 1.00 6.96 C -ATOM 8429 O ALA D 207 56.617 -76.604 23.377 1.00 8.20 O -ATOM 8430 N LYS D 208 57.033 -75.817 25.445 1.00 6.55 N -ATOM 8431 CA LYS D 208 57.240 -77.172 26.011 1.00 6.90 C -ATOM 8432 CB LYS D 208 58.182 -77.165 27.217 1.00 7.89 C -ATOM 8433 CG LYS D 208 59.543 -76.632 26.863 1.00 8.14 C -ATOM 8434 CD LYS D 208 60.218 -77.431 25.770 1.00 8.75 C -ATOM 8435 CE LYS D 208 61.673 -77.059 25.596 1.00 10.16 C -ATOM 8436 NZ LYS D 208 62.253 -77.691 24.407 1.00 11.57 N -ATOM 8437 C LYS D 208 55.922 -77.836 26.403 1.00 6.56 C -ATOM 8438 O LYS D 208 55.917 -79.069 26.694 1.00 7.58 O -ATOM 8439 N VAL D 209 54.823 -77.085 26.508 1.00 6.07 N -ATOM 8440 CA VAL D 209 53.560 -77.533 27.114 1.00 6.18 C -ATOM 8441 CB VAL D 209 53.278 -76.694 28.367 1.00 6.28 C -ATOM 8442 CG1 VAL D 209 52.037 -77.177 29.071 1.00 7.12 C -ATOM 8443 CG2 VAL D 209 54.481 -76.702 29.302 1.00 6.45 C -ATOM 8444 C VAL D 209 52.443 -77.373 26.089 1.00 5.91 C -ATOM 8445 O VAL D 209 52.384 -76.370 25.396 1.00 6.03 O -ATOM 8446 N PHE D 210 51.579 -78.380 26.035 1.00 5.61 N -ATOM 8447 CA PHE D 210 50.383 -78.333 25.174 1.00 5.92 C -ATOM 8448 CB PHE D 210 49.795 -79.736 25.011 1.00 5.72 C -ATOM 8449 CG PHE D 210 50.617 -80.620 24.122 1.00 5.90 C -ATOM 8450 CD1 PHE D 210 51.606 -81.441 24.654 1.00 6.29 C -ATOM 8451 CE1 PHE D 210 52.325 -82.312 23.863 1.00 6.88 C -ATOM 8452 CZ PHE D 210 52.099 -82.299 22.510 1.00 7.55 C -ATOM 8453 CD2 PHE D 210 50.374 -80.666 22.766 1.00 6.72 C -ATOM 8454 CE2 PHE D 210 51.120 -81.510 21.964 1.00 7.89 C -ATOM 8455 C PHE D 210 49.320 -77.483 25.861 1.00 5.95 C -ATOM 8456 O PHE D 210 48.934 -77.836 26.994 1.00 8.11 O -ATOM 8457 N ILE D 211 48.729 -76.506 25.204 1.00 5.48 N -ATOM 8458 CA ILE D 211 47.577 -75.801 25.818 1.00 5.37 C -ATOM 8459 CB ILE D 211 47.439 -74.374 25.281 1.00 5.63 C -ATOM 8460 CG1 ILE D 211 47.276 -74.284 23.768 1.00 6.18 C -ATOM 8461 CG2 ILE D 211 48.634 -73.526 25.723 1.00 5.94 C -ATOM 8462 CD1 ILE D 211 46.740 -72.908 23.349 1.00 7.27 C -ATOM 8463 C ILE D 211 46.305 -76.608 25.608 1.00 5.18 C -ATOM 8464 O ILE D 211 46.117 -77.189 24.538 1.00 5.60 O -ATOM 8465 N SER D 212 45.419 -76.590 26.583 1.00 5.32 N -ATOM 8466 CA SER D 212 44.145 -77.318 26.476 1.00 5.81 C -ATOM 8467 CB SER D 212 44.235 -78.618 27.235 1.00 5.46 C -ATOM 8468 OG SER D 212 43.031 -79.337 27.046 1.00 6.47 O -ATOM 8469 C SER D 212 43.052 -76.409 26.989 1.00 5.26 C -ATOM 8470 O SER D 212 42.747 -76.425 28.168 1.00 6.00 O -ATOM 8471 N PRO D 213 42.398 -75.627 26.114 1.00 5.49 N -ATOM 8472 CA PRO D 213 41.420 -74.659 26.570 1.00 5.23 C -ATOM 8473 CB PRO D 213 41.127 -73.835 25.306 1.00 5.54 C -ATOM 8474 CG PRO D 213 41.488 -74.721 24.161 1.00 6.41 C -ATOM 8475 CD PRO D 213 42.637 -75.549 24.659 1.00 5.72 C -ATOM 8476 C PRO D 213 40.134 -75.298 27.074 1.00 4.89 C -ATOM 8477 O PRO D 213 39.725 -76.348 26.623 1.00 6.07 O -ATOM 8478 N VAL D 214 39.484 -74.549 27.937 1.00 5.59 N -ATOM 8479 CA VAL D 214 38.091 -74.845 28.345 1.00 6.05 C -ATOM 8480 CB VAL D 214 37.591 -73.789 29.333 1.00 6.88 C -ATOM 8481 CG1 VAL D 214 36.126 -74.005 29.646 1.00 8.11 C -ATOM 8482 CG2 VAL D 214 38.411 -73.790 30.613 1.00 7.70 C -ATOM 8483 C VAL D 214 37.251 -74.863 27.073 1.00 6.10 C -ATOM 8484 O VAL D 214 37.329 -73.893 26.257 1.00 6.60 O -ATOM 8485 N THR D 215 36.453 -75.907 26.898 1.00 5.70 N -ATOM 8486 CA THR D 215 35.742 -76.150 25.641 1.00 5.84 C -ATOM 8487 CB THR D 215 36.369 -77.395 25.028 1.00 6.00 C -ATOM 8488 OG1 THR D 215 37.747 -77.136 24.754 1.00 5.72 O -ATOM 8489 CG2 THR D 215 35.714 -77.885 23.753 1.00 6.07 C -ATOM 8490 C THR D 215 34.268 -76.343 25.917 1.00 6.25 C -ATOM 8491 O THR D 215 33.873 -77.273 26.704 1.00 6.81 O -ATOM 8492 N ASN D 216 33.447 -75.567 25.238 1.00 6.16 N -ATOM 8493 CA ASN D 216 31.980 -75.718 25.358 1.00 7.12 C -ATOM 8494 CB ASN D 216 31.452 -74.925 26.546 1.00 7.59 C -ATOM 8495 CG ASN D 216 31.780 -73.458 26.499 1.00 7.80 C -ATOM 8496 OD1 ASN D 216 31.994 -72.882 25.463 1.00 8.77 O -ATOM 8497 ND2 ASN D 216 31.771 -72.822 27.651 1.00 10.29 N -ATOM 8498 C ASN D 216 31.297 -75.371 24.049 1.00 7.75 C -ATOM 8499 O ASN D 216 30.107 -75.076 24.062 1.00 8.80 O -ATOM 8500 N GLY D 217 31.996 -75.517 22.945 1.00 7.18 N -ATOM 8501 CA GLY D 217 31.417 -75.296 21.624 1.00 7.36 C -ATOM 8502 C GLY D 217 32.435 -75.732 20.596 1.00 7.09 C -ATOM 8503 O GLY D 217 33.655 -75.795 20.870 1.00 6.98 O -ATOM 8504 N GLN D 218 31.984 -75.890 19.375 1.00 7.10 N -ATOM 8505 CA GLN D 218 32.846 -76.343 18.271 1.00 6.91 C -ATOM 8506 CB GLN D 218 32.061 -76.511 16.969 1.00 6.96 C -ATOM 8507 CG GLN D 218 32.870 -77.067 15.806 1.00 7.36 C -ATOM 8508 CD GLN D 218 33.279 -78.503 15.997 1.00 7.91 C -ATOM 8509 OE1 GLN D 218 32.417 -79.327 16.302 1.00 8.48 O -ATOM 8510 NE2 GLN D 218 34.515 -78.839 15.682 1.00 8.15 N -ATOM 8511 C GLN D 218 34.016 -75.377 18.053 1.00 5.97 C -ATOM 8512 O GLN D 218 35.158 -75.806 17.774 1.00 5.78 O -ATOM 8513 N ASN D 219 33.761 -74.086 18.172 1.00 5.71 N -ATOM 8514 CA ASN D 219 34.822 -73.101 17.909 1.00 6.48 C -ATOM 8515 CB ASN D 219 34.274 -71.688 17.899 1.00 7.16 C -ATOM 8516 CG ASN D 219 33.858 -71.214 19.276 1.00 6.89 C -ATOM 8517 OD1 ASN D 219 32.810 -71.681 19.781 1.00 7.65 O -ATOM 8518 ND2 ASN D 219 34.625 -70.370 19.917 1.00 7.03 N -ATOM 8519 C ASN D 219 35.950 -73.246 18.915 1.00 5.80 C -ATOM 8520 O ASN D 219 37.066 -72.793 18.597 1.00 5.74 O -ATOM 8521 N ASP D 220 35.723 -73.855 20.074 1.00 5.36 N -ATOM 8522 CA ASP D 220 36.824 -74.018 21.050 1.00 5.23 C -ATOM 8523 CB ASP D 220 36.261 -74.264 22.438 1.00 5.52 C -ATOM 8524 CG ASP D 220 35.468 -73.087 22.990 1.00 5.95 C -ATOM 8525 OD1 ASP D 220 35.790 -71.931 22.676 1.00 5.80 O -ATOM 8526 OD2 ASP D 220 34.519 -73.346 23.753 1.00 6.06 O -ATOM 8527 C ASP D 220 37.764 -75.150 20.620 1.00 5.01 C -ATOM 8528 O ASP D 220 38.849 -75.271 21.187 1.00 5.95 O -ATOM 8529 N ILE D 221 37.337 -75.998 19.713 1.00 5.40 N -ATOM 8530 CA ILE D 221 38.125 -77.075 19.084 1.00 6.00 C -ATOM 8531 CB ILE D 221 37.256 -78.310 18.812 1.00 6.45 C -ATOM 8532 CG1 ILE D 221 36.638 -78.838 20.118 1.00 7.27 C -ATOM 8533 CG2 ILE D 221 38.073 -79.356 18.082 1.00 6.53 C -ATOM 8534 CD1 ILE D 221 35.589 -79.881 19.910 1.00 8.69 C -ATOM 8535 C ILE D 221 38.794 -76.534 17.830 1.00 5.47 C -ATOM 8536 O ILE D 221 40.031 -76.641 17.749 1.00 6.00 O -ATOM 8537 N SER D 222 38.025 -75.965 16.925 1.00 5.43 N -ATOM 8538 CA SER D 222 38.460 -75.819 15.528 1.00 5.55 C -ATOM 8539 CB SER D 222 37.677 -76.772 14.635 1.00 6.20 C -ATOM 8540 OG SER D 222 36.297 -76.676 14.897 1.00 6.90 O -ATOM 8541 C SER D 222 38.324 -74.384 15.043 1.00 5.70 C -ATOM 8542 O SER D 222 38.644 -74.156 13.878 1.00 6.68 O -ATOM 8543 N GLY D 223 37.828 -73.440 15.859 1.00 5.61 N -ATOM 8544 CA GLY D 223 37.612 -72.057 15.431 1.00 5.56 C -ATOM 8545 C GLY D 223 38.482 -71.099 16.191 1.00 5.10 C -ATOM 8546 O GLY D 223 39.550 -71.447 16.689 1.00 5.94 O -ATOM 8547 N LYS D 224 37.999 -69.857 16.302 1.00 5.12 N -ATOM 8548 CA LYS D 224 38.643 -68.889 17.205 1.00 5.13 C -ATOM 8549 CB LYS D 224 38.392 -67.436 16.804 1.00 5.39 C -ATOM 8550 CG LYS D 224 39.235 -66.451 17.581 1.00 5.71 C -ATOM 8551 CD LYS D 224 38.983 -65.030 17.083 1.00 6.02 C -ATOM 8552 CE LYS D 224 39.951 -64.047 17.672 1.00 7.05 C -ATOM 8553 NZ LYS D 224 39.764 -63.867 19.108 1.00 7.06 N -ATOM 8554 C LYS D 224 38.150 -69.219 18.603 1.00 4.79 C -ATOM 8555 O LYS D 224 36.956 -69.072 18.909 1.00 4.84 O -ATOM 8556 N VAL D 225 39.038 -69.786 19.396 1.00 5.03 N -ATOM 8557 CA VAL D 225 38.672 -70.312 20.712 1.00 4.98 C -ATOM 8558 CB VAL D 225 39.878 -71.064 21.308 1.00 5.05 C -ATOM 8559 CG1 VAL D 225 39.609 -71.546 22.703 1.00 5.25 C -ATOM 8560 CG2 VAL D 225 40.313 -72.202 20.386 1.00 5.38 C -ATOM 8561 C VAL D 225 38.184 -69.165 21.601 1.00 5.09 C -ATOM 8562 O VAL D 225 38.792 -68.077 21.601 1.00 5.35 O -ATOM 8563 N SER D 226 37.180 -69.438 22.423 1.00 5.81 N -ATOM 8564 CA SER D 226 36.677 -68.456 23.399 1.00 5.83 C -ATOM 8565 CB SER D 226 35.634 -69.124 24.268 1.00 6.46 C -ATOM 8566 OG SER D 226 34.616 -69.736 23.524 1.00 7.24 O -ATOM 8567 C SER D 226 37.846 -67.964 24.248 1.00 5.89 C -ATOM 8568 O SER D 226 38.591 -68.766 24.817 1.00 6.03 O -ATOM 8569 N GLY D 227 38.015 -66.656 24.358 1.00 5.79 N -ATOM 8570 CA GLY D 227 39.025 -66.028 25.215 1.00 5.88 C -ATOM 8571 C GLY D 227 40.438 -66.115 24.684 1.00 5.35 C -ATOM 8572 O GLY D 227 41.325 -65.762 25.438 1.00 6.55 O -ATOM 8573 N MET D 228 40.650 -66.505 23.423 1.00 5.11 N -ATOM 8574 CA MET D 228 41.999 -66.610 22.836 1.00 5.34 C -ATOM 8575 CB MET D 228 42.443 -68.061 22.628 1.00 5.64 C -ATOM 8576 CG MET D 228 42.286 -68.907 23.861 1.00 5.64 C -ATOM 8577 SD MET D 228 43.578 -70.180 24.076 1.00 6.36 S -ATOM 8578 CE MET D 228 43.449 -71.028 22.469 1.00 5.94 C -ATOM 8579 C MET D 228 42.052 -65.896 21.496 1.00 5.09 C -ATOM 8580 O MET D 228 41.052 -65.684 20.839 1.00 6.41 O -ATOM 8581 N SER D 229 43.261 -65.527 21.123 1.00 5.25 N -ATOM 8582 CA SER D 229 43.537 -64.949 19.790 1.00 5.59 C -ATOM 8583 CB SER D 229 44.916 -64.375 19.805 1.00 5.44 C -ATOM 8584 OG SER D 229 45.864 -65.412 20.032 1.00 5.64 O -ATOM 8585 C SER D 229 43.472 -66.044 18.729 1.00 5.13 C -ATOM 8586 O SER D 229 43.472 -67.280 19.031 1.00 4.60 O -ATOM 8587 N SER D 230 43.443 -65.604 17.484 1.00 5.37 N -ATOM 8588 CA SER D 230 43.557 -66.556 16.357 1.00 5.49 C -ATOM 8589 CB SER D 230 43.417 -65.821 15.064 1.00 5.52 C -ATOM 8590 OG SER D 230 42.083 -65.383 14.897 1.00 6.13 O -ATOM 8591 C SER D 230 44.882 -67.308 16.425 1.00 5.28 C -ATOM 8592 O SER D 230 44.921 -68.557 16.287 1.00 5.22 O -ATOM 8593 N GLN D 231 45.979 -66.612 16.663 1.00 5.30 N -ATOM 8594 CA GLN D 231 47.316 -67.243 16.735 1.00 5.48 C -ATOM 8595 CB GLN D 231 48.307 -66.210 17.211 1.00 5.96 C -ATOM 8596 CG GLN D 231 49.675 -66.767 17.528 1.00 6.67 C -ATOM 8597 CD GLN D 231 50.655 -65.757 18.108 1.00 7.66 C -ATOM 8598 OE1 GLN D 231 50.278 -64.954 18.964 1.00 8.31 O -ATOM 8599 NE2 GLN D 231 51.892 -65.742 17.609 1.00 8.30 N -ATOM 8600 C GLN D 231 47.258 -68.387 17.750 1.00 5.31 C -ATOM 8601 O GLN D 231 47.692 -69.515 17.474 1.00 5.42 O -ATOM 8602 N SER D 232 46.781 -68.095 18.958 1.00 5.18 N -ATOM 8603 CA SER D 232 46.836 -69.102 20.035 1.00 5.05 C -ATOM 8604 CB SER D 232 46.583 -68.467 21.340 1.00 5.91 C -ATOM 8605 OG SER D 232 47.675 -67.557 21.589 1.00 7.05 O -ATOM 8606 C SER D 232 45.903 -70.278 19.759 1.00 4.82 C -ATOM 8607 O SER D 232 46.231 -71.419 20.038 1.00 5.53 O -ATOM 8608 N SER D 233 44.750 -69.996 19.155 1.00 4.50 N -ATOM 8609 CA SER D 233 43.780 -71.044 18.736 1.00 4.75 C -ATOM 8610 CB SER D 233 42.636 -70.397 18.012 1.00 4.88 C -ATOM 8611 OG SER D 233 41.861 -69.570 18.881 1.00 5.44 O -ATOM 8612 C SER D 233 44.498 -72.058 17.864 1.00 4.50 C -ATOM 8613 O SER D 233 44.233 -73.256 17.932 1.00 5.10 O -ATOM 8614 N GLY D 234 45.391 -71.605 16.985 1.00 4.78 N -ATOM 8615 CA GLY D 234 46.027 -72.495 16.026 1.00 5.04 C -ATOM 8616 C GLY D 234 46.961 -73.500 16.676 1.00 4.83 C -ATOM 8617 O GLY D 234 47.248 -74.552 16.039 1.00 5.51 O -ATOM 8618 N TYR D 235 47.387 -73.274 17.909 1.00 4.98 N -ATOM 8619 CA TYR D 235 48.257 -74.248 18.607 1.00 5.67 C -ATOM 8620 CB TYR D 235 49.186 -73.549 19.600 1.00 6.01 C -ATOM 8621 CG TYR D 235 50.263 -72.729 18.941 1.00 5.82 C -ATOM 8622 CD1 TYR D 235 50.035 -71.416 18.556 1.00 6.32 C -ATOM 8623 CE1 TYR D 235 50.981 -70.694 17.853 1.00 7.40 C -ATOM 8624 CZ TYR D 235 52.180 -71.283 17.520 1.00 6.90 C -ATOM 8625 OH TYR D 235 53.163 -70.571 16.841 1.00 8.35 O -ATOM 8626 CE2 TYR D 235 52.439 -72.563 17.943 1.00 6.61 C -ATOM 8627 CD2 TYR D 235 51.462 -73.288 18.600 1.00 6.67 C -ATOM 8628 C TYR D 235 47.451 -75.322 19.354 1.00 6.12 C -ATOM 8629 O TYR D 235 48.051 -76.202 19.979 1.00 7.36 O -ATOM 8630 N VAL D 236 46.133 -75.292 19.298 1.00 5.70 N -ATOM 8631 CA VAL D 236 45.288 -76.163 20.146 1.00 5.69 C -ATOM 8632 CB VAL D 236 43.877 -75.578 20.279 1.00 5.40 C -ATOM 8633 CG1 VAL D 236 42.949 -76.585 20.921 1.00 5.86 C -ATOM 8634 CG2 VAL D 236 43.888 -74.247 21.054 1.00 5.51 C -ATOM 8635 C VAL D 236 45.288 -77.594 19.610 1.00 5.22 C -ATOM 8636 O VAL D 236 44.756 -77.871 18.532 1.00 6.09 O -ATOM 8637 N ALA D 237 45.833 -78.497 20.398 1.00 5.73 N -ATOM 8638 CA ALA D 237 45.898 -79.952 20.103 1.00 5.31 C -ATOM 8639 CB ALA D 237 47.338 -80.371 19.943 1.00 6.04 C -ATOM 8640 C ALA D 237 45.252 -80.770 21.216 1.00 5.65 C -ATOM 8641 O ALA D 237 45.286 -82.013 21.154 1.00 6.22 O -ATOM 8642 N MET D 238 44.621 -80.107 22.158 1.00 5.49 N -ATOM 8643 CA MET D 238 43.997 -80.727 23.342 1.00 5.49 C -ATOM 8644 CB MET D 238 45.015 -80.843 24.479 1.00 5.27 C -ATOM 8645 CG MET D 238 46.149 -81.784 24.189 1.00 5.72 C -ATOM 8646 SD MET D 238 46.874 -82.336 25.752 1.00 6.64 S -ATOM 8647 CE MET D 238 48.163 -83.443 25.192 1.00 7.21 C -ATOM 8648 C MET D 238 42.830 -79.856 23.773 1.00 5.44 C -ATOM 8649 O MET D 238 42.850 -78.650 23.546 1.00 6.18 O -ATOM 8650 N ASN D 239 41.828 -80.454 24.381 1.00 4.92 N -ATOM 8651 CA ASN D 239 40.625 -79.709 24.821 1.00 5.10 C -ATOM 8652 CB ASN D 239 39.504 -79.850 23.808 1.00 5.68 C -ATOM 8653 CG ASN D 239 39.818 -79.077 22.539 1.00 5.95 C -ATOM 8654 OD1 ASN D 239 40.367 -79.645 21.583 1.00 6.37 O -ATOM 8655 ND2 ASN D 239 39.514 -77.799 22.561 1.00 5.73 N -ATOM 8656 C ASN D 239 40.208 -80.220 26.199 1.00 5.51 C -ATOM 8657 O ASN D 239 40.246 -81.443 26.454 1.00 6.27 O -ATOM 8658 N ASN D 240 39.754 -79.297 27.036 1.00 5.61 N -ATOM 8659 CA ASN D 240 39.403 -79.601 28.443 1.00 6.52 C -ATOM 8660 CB ASN D 240 40.264 -78.790 29.395 1.00 9.09 C -ATOM 8661 CG ASN D 240 40.376 -79.503 30.748 1.00 12.19 C -ATOM 8662 OD1 ASN D 240 40.759 -80.683 30.858 1.00 13.50 O -ATOM 8663 ND2 ASN D 240 40.051 -78.793 31.821 1.00 17.06 N -ATOM 8664 C ASN D 240 37.918 -79.310 28.662 1.00 6.48 C -ATOM 8665 O ASN D 240 37.479 -78.187 28.375 1.00 7.23 O -ATOM 8666 N MET D 241 37.175 -80.305 29.094 1.00 6.84 N -ATOM 8667 CA MET D 241 35.709 -80.217 29.247 1.00 7.48 C -ATOM 8668 CB MET D 241 35.051 -81.198 28.286 1.00 8.83 C -ATOM 8669 CG MET D 241 35.054 -80.717 26.849 1.00 9.09 C -ATOM 8670 SD MET D 241 36.432 -80.923 25.759 1.00 17.25 S -ATOM 8671 CE MET D 241 36.795 -82.687 25.899 1.00 9.37 C -ATOM 8672 C MET D 241 35.263 -80.588 30.648 1.00 7.85 C -ATOM 8673 O MET D 241 35.700 -81.630 31.183 1.00 8.11 O -ATOM 8674 N GLY D 242 34.370 -79.814 31.228 1.00 8.72 N -ATOM 8675 CA GLY D 242 33.603 -80.198 32.436 1.00 9.42 C -ATOM 8676 C GLY D 242 32.550 -81.176 32.051 1.00 9.90 C -ATOM 8677 O GLY D 242 32.263 -81.395 30.888 1.00 10.64 O -ATOM 8678 N LYS D 243 31.883 -81.677 33.079 1.00 10.55 N -ATOM 8679 CA LYS D 243 30.830 -82.685 32.948 1.00 11.52 C -ATOM 8680 CB LYS D 243 30.187 -82.887 34.322 1.00 13.57 C -ATOM 8681 CG LYS D 243 28.927 -83.742 34.326 1.00 15.84 C -ATOM 8682 CD LYS D 243 28.448 -84.085 35.732 1.00 18.94 C -ATOM 8683 CE LYS D 243 27.881 -82.923 36.527 1.00 23.81 C -ATOM 8684 NZ LYS D 243 27.712 -83.292 37.956 1.00 28.17 N -ATOM 8685 C LYS D 243 29.759 -82.259 31.945 1.00 10.10 C -ATOM 8686 O LYS D 243 29.410 -83.059 31.117 1.00 10.94 O -ATOM 8687 N GLY D 244 29.293 -81.018 32.060 1.00 11.18 N -ATOM 8688 CA GLY D 244 28.179 -80.509 31.265 1.00 12.06 C -ATOM 8689 C GLY D 244 28.578 -80.332 29.807 1.00 11.67 C -ATOM 8690 O GLY D 244 27.661 -80.198 28.984 1.00 13.70 O -ATOM 8691 N ASP D 245 29.885 -80.353 29.477 1.00 10.52 N -ATOM 8692 CA ASP D 245 30.400 -80.014 28.134 1.00 9.91 C -ATOM 8693 CB ASP D 245 31.407 -78.876 28.283 1.00 10.74 C -ATOM 8694 CG ASP D 245 30.752 -77.613 28.815 1.00 11.14 C -ATOM 8695 OD1 ASP D 245 29.627 -77.312 28.336 1.00 12.95 O -ATOM 8696 OD2 ASP D 245 31.403 -76.954 29.626 1.00 11.12 O -ATOM 8697 C ASP D 245 30.986 -81.264 27.494 1.00 9.73 C -ATOM 8698 O ASP D 245 31.583 -81.163 26.437 1.00 9.69 O -ATOM 8699 N LYS D 246 30.875 -82.442 28.115 1.00 9.27 N -ATOM 8700 CA LYS D 246 31.619 -83.648 27.650 1.00 9.88 C -ATOM 8701 CB LYS D 246 31.467 -84.796 28.647 1.00 9.69 C -ATOM 8702 CG LYS D 246 30.075 -85.391 28.737 1.00 9.77 C -ATOM 8703 CD LYS D 246 30.067 -86.571 29.662 1.00 10.49 C -ATOM 8704 CE LYS D 246 28.732 -87.271 29.790 1.00 11.02 C -ATOM 8705 NZ LYS D 246 28.887 -88.465 30.659 1.00 11.77 N -ATOM 8706 C LYS D 246 31.148 -84.132 26.269 1.00 9.22 C -ATOM 8707 O LYS D 246 31.850 -84.879 25.639 1.00 9.05 O -ATOM 8708 N SER D 247 30.002 -83.690 25.803 1.00 9.65 N -ATOM 8709 CA SER D 247 29.509 -84.064 24.454 1.00 10.68 C -ATOM 8710 CB SER D 247 28.133 -83.530 24.156 1.00 12.48 C -ATOM 8711 OG SER D 247 28.110 -82.118 24.199 1.00 15.31 O -ATOM 8712 C SER D 247 30.528 -83.594 23.410 1.00 10.87 C -ATOM 8713 O SER D 247 30.563 -84.149 22.303 1.00 12.38 O -ATOM 8714 N TRP D 248 31.340 -82.581 23.725 1.00 8.65 N -ATOM 8715 CA TRP D 248 32.335 -82.048 22.762 1.00 8.52 C -ATOM 8716 CB TRP D 248 32.743 -80.622 23.157 1.00 9.73 C -ATOM 8717 CG TRP D 248 31.615 -79.687 22.944 1.00 9.56 C -ATOM 8718 CD1 TRP D 248 30.759 -79.142 23.864 1.00 10.90 C -ATOM 8719 NE1 TRP D 248 29.771 -78.459 23.197 1.00 11.58 N -ATOM 8720 CE2 TRP D 248 29.926 -78.589 21.846 1.00 11.32 C -ATOM 8721 CD2 TRP D 248 31.087 -79.355 21.655 1.00 9.47 C -ATOM 8722 CE3 TRP D 248 31.508 -79.633 20.361 1.00 9.82 C -ATOM 8723 CZ3 TRP D 248 30.786 -79.163 19.287 1.00 10.77 C -ATOM 8724 CH2 TRP D 248 29.645 -78.406 19.493 1.00 11.23 C -ATOM 8725 CZ2 TRP D 248 29.201 -78.093 20.750 1.00 11.93 C -ATOM 8726 C TRP D 248 33.532 -83.001 22.610 1.00 7.87 C -ATOM 8727 O TRP D 248 34.294 -82.844 21.670 1.00 8.23 O -ATOM 8728 N ALA D 249 33.672 -84.030 23.451 1.00 7.60 N -ATOM 8729 CA ALA D 249 34.846 -84.895 23.350 1.00 7.94 C -ATOM 8730 CB ALA D 249 34.924 -85.814 24.533 1.00 7.80 C -ATOM 8731 C ALA D 249 34.780 -85.671 22.033 1.00 8.06 C -ATOM 8732 O ALA D 249 35.852 -85.969 21.459 1.00 8.76 O -ATOM 8733 N LYS D 250 33.591 -85.939 21.523 1.00 8.03 N -ATOM 8734 CA LYS D 250 33.522 -86.665 20.235 1.00 9.52 C -ATOM 8735 CB LYS D 250 32.089 -87.070 19.863 1.00 11.81 C -ATOM 8736 CG LYS D 250 31.539 -88.273 20.624 1.00 16.19 C -ATOM 8737 CD LYS D 250 30.238 -88.780 20.014 1.00 19.45 C -ATOM 8738 CE LYS D 250 29.544 -89.799 20.891 1.00 23.28 C -ATOM 8739 NZ LYS D 250 30.094 -91.154 20.674 1.00 27.26 N -ATOM 8740 C LYS D 250 34.151 -85.808 19.137 1.00 7.98 C -ATOM 8741 O LYS D 250 34.751 -86.370 18.183 1.00 9.52 O -ATOM 8742 N GLN D 251 33.998 -84.483 19.205 1.00 8.05 N -ATOM 8743 CA GLN D 251 34.612 -83.605 18.176 1.00 8.03 C -ATOM 8744 CB GLN D 251 33.760 -82.351 18.071 1.00 8.90 C -ATOM 8745 CG GLN D 251 32.619 -82.536 17.090 1.00 11.00 C -ATOM 8746 CD GLN D 251 33.182 -82.674 15.684 1.00 11.12 C -ATOM 8747 OE1 GLN D 251 34.006 -81.876 15.204 1.00 13.22 O -ATOM 8748 NE2 GLN D 251 32.866 -83.799 15.029 1.00 13.36 N -ATOM 8749 C GLN D 251 36.091 -83.379 18.479 1.00 7.80 C -ATOM 8750 O GLN D 251 36.850 -83.214 17.530 1.00 8.66 O -ATOM 8751 N ALA D 252 36.523 -83.388 19.733 1.00 7.56 N -ATOM 8752 CA ALA D 252 37.975 -83.400 19.986 1.00 7.39 C -ATOM 8753 CB ALA D 252 38.237 -83.346 21.462 1.00 7.39 C -ATOM 8754 C ALA D 252 38.583 -84.663 19.337 1.00 7.25 C -ATOM 8755 O ALA D 252 39.592 -84.595 18.618 1.00 7.15 O -ATOM 8756 N PHE D 253 37.923 -85.806 19.520 1.00 7.54 N -ATOM 8757 CA PHE D 253 38.319 -87.101 18.932 1.00 8.34 C -ATOM 8758 CB PHE D 253 37.326 -88.158 19.429 1.00 9.05 C -ATOM 8759 CG PHE D 253 37.427 -89.469 18.711 1.00 10.31 C -ATOM 8760 CD1 PHE D 253 38.404 -90.385 19.084 1.00 10.57 C -ATOM 8761 CE1 PHE D 253 38.525 -91.587 18.386 1.00 11.70 C -ATOM 8762 CZ PHE D 253 37.632 -91.890 17.395 1.00 12.49 C -ATOM 8763 CD2 PHE D 253 36.572 -89.777 17.677 1.00 12.33 C -ATOM 8764 CE2 PHE D 253 36.669 -90.996 17.018 1.00 12.59 C -ATOM 8765 C PHE D 253 38.357 -86.952 17.400 1.00 7.72 C -ATOM 8766 O PHE D 253 39.334 -87.395 16.764 1.00 8.27 O -ATOM 8767 N ALA D 254 37.328 -86.355 16.788 1.00 8.05 N -ATOM 8768 CA ALA D 254 37.273 -86.193 15.310 1.00 8.04 C -ATOM 8769 CB ALA D 254 35.982 -85.545 14.921 1.00 9.28 C -ATOM 8770 C ALA D 254 38.450 -85.350 14.832 1.00 8.58 C -ATOM 8771 O ALA D 254 38.950 -85.611 13.743 1.00 8.52 O -ATOM 8772 N TYR D 255 38.905 -84.399 15.658 1.00 7.13 N -ATOM 8773 CA TYR D 255 40.026 -83.499 15.299 1.00 6.99 C -ATOM 8774 CB TYR D 255 39.737 -82.101 15.864 1.00 6.95 C -ATOM 8775 CG TYR D 255 39.131 -81.185 14.839 1.00 6.79 C -ATOM 8776 CD1 TYR D 255 37.771 -81.193 14.582 1.00 6.55 C -ATOM 8777 CE1 TYR D 255 37.228 -80.426 13.563 1.00 7.04 C -ATOM 8778 CZ TYR D 255 38.044 -79.586 12.828 1.00 6.36 C -ATOM 8779 OH TYR D 255 37.528 -78.794 11.836 1.00 6.78 O -ATOM 8780 CE2 TYR D 255 39.391 -79.521 13.096 1.00 6.62 C -ATOM 8781 CD2 TYR D 255 39.913 -80.317 14.101 1.00 6.39 C -ATOM 8782 C TYR D 255 41.386 -84.023 15.725 1.00 6.79 C -ATOM 8783 O TYR D 255 42.360 -83.310 15.533 1.00 6.90 O -ATOM 8784 N SER D 256 41.456 -85.223 16.284 1.00 6.57 N -ATOM 8785 CA SER D 256 42.710 -85.753 16.848 1.00 6.46 C -ATOM 8786 CB SER D 256 43.717 -86.110 15.790 1.00 6.38 C -ATOM 8787 OG SER D 256 43.174 -87.143 14.994 1.00 7.66 O -ATOM 8788 C SER D 256 43.273 -84.764 17.873 1.00 5.98 C -ATOM 8789 O SER D 256 44.504 -84.623 17.976 1.00 7.32 O -ATOM 8790 N HIS D 257 42.412 -84.128 18.643 1.00 5.74 N -ATOM 8791 CA HIS D 257 42.823 -83.393 19.860 1.00 5.69 C -ATOM 8792 CB HIS D 257 42.007 -82.109 20.024 1.00 5.30 C -ATOM 8793 CG HIS D 257 42.211 -81.066 18.981 1.00 5.30 C -ATOM 8794 ND1 HIS D 257 41.685 -79.823 19.175 1.00 5.38 N -ATOM 8795 CE1 HIS D 257 41.914 -79.097 18.094 1.00 5.38 C -ATOM 8796 NE2 HIS D 257 42.579 -79.816 17.208 1.00 5.16 N -ATOM 8797 CD2 HIS D 257 42.799 -81.051 17.767 1.00 5.77 C -ATOM 8798 C HIS D 257 42.614 -84.320 21.066 1.00 5.45 C -ATOM 8799 O HIS D 257 41.585 -84.966 21.131 1.00 7.06 O -ATOM 8800 N ILE D 258 43.499 -84.277 22.018 1.00 5.85 N -ATOM 8801 CA ILE D 258 43.339 -85.118 23.228 1.00 6.14 C -ATOM 8802 CB ILE D 258 44.677 -85.335 23.948 1.00 6.39 C -ATOM 8803 CG1 ILE D 258 45.747 -85.865 22.984 1.00 6.79 C -ATOM 8804 CG2 ILE D 258 44.530 -86.262 25.158 1.00 6.44 C -ATOM 8805 CD1 ILE D 258 45.366 -87.122 22.210 1.00 7.37 C -ATOM 8806 C ILE D 258 42.318 -84.448 24.123 1.00 6.35 C -ATOM 8807 O ILE D 258 42.584 -83.346 24.697 1.00 7.01 O -ATOM 8808 N GLY D 259 41.168 -85.083 24.299 1.00 6.18 N -ATOM 8809 CA GLY D 259 40.083 -84.558 25.147 1.00 6.63 C -ATOM 8810 C GLY D 259 40.154 -85.043 26.566 1.00 6.52 C -ATOM 8811 O GLY D 259 40.363 -86.290 26.773 1.00 7.12 O -ATOM 8812 N ARG D 260 39.982 -84.171 27.543 1.00 6.50 N -ATOM 8813 CA ARG D 260 39.894 -84.535 28.965 1.00 6.69 C -ATOM 8814 CB ARG D 260 41.016 -83.888 29.766 1.00 7.76 C -ATOM 8815 CG ARG D 260 40.985 -84.198 31.240 1.00 8.47 C -ATOM 8816 CD ARG D 260 42.325 -83.951 31.876 1.00 10.82 C -ATOM 8817 NE ARG D 260 42.406 -84.206 33.283 1.00 12.86 N -ATOM 8818 CZ ARG D 260 42.020 -83.346 34.204 1.00 13.29 C -ATOM 8819 NH1 ARG D 260 41.333 -82.282 33.873 1.00 13.27 N -ATOM 8820 NH2 ARG D 260 42.161 -83.651 35.479 1.00 15.73 N -ATOM 8821 C ARG D 260 38.550 -84.090 29.494 1.00 6.40 C -ATOM 8822 O ARG D 260 38.120 -82.945 29.196 1.00 7.65 O -ATOM 8823 N VAL D 261 37.857 -84.940 30.243 1.00 6.95 N -ATOM 8824 CA VAL D 261 36.599 -84.593 30.928 1.00 6.89 C -ATOM 8825 CB VAL D 261 35.461 -85.455 30.392 1.00 7.24 C -ATOM 8826 CG1 VAL D 261 34.204 -85.292 31.229 1.00 8.25 C -ATOM 8827 CG2 VAL D 261 35.172 -85.117 28.951 1.00 7.35 C -ATOM 8828 C VAL D 261 36.796 -84.760 32.423 1.00 7.45 C -ATOM 8829 O VAL D 261 37.171 -85.883 32.860 1.00 7.43 O -ATOM 8830 N TRP D 262 36.484 -83.723 33.184 1.00 7.61 N -ATOM 8831 CA TRP D 262 36.575 -83.732 34.652 1.00 8.69 C -ATOM 8832 CB TRP D 262 37.617 -82.693 35.097 1.00 9.50 C -ATOM 8833 CG TRP D 262 37.264 -81.292 34.696 1.00 10.29 C -ATOM 8834 CD1 TRP D 262 37.595 -80.687 33.514 1.00 11.82 C -ATOM 8835 NE1 TRP D 262 37.056 -79.436 33.466 1.00 12.95 N -ATOM 8836 CE2 TRP D 262 36.363 -79.184 34.622 1.00 12.87 C -ATOM 8837 CD2 TRP D 262 36.409 -80.368 35.397 1.00 12.02 C -ATOM 8838 CE3 TRP D 262 35.766 -80.385 36.635 1.00 13.66 C -ATOM 8839 CZ3 TRP D 262 35.072 -79.264 37.026 1.00 14.42 C -ATOM 8840 CH2 TRP D 262 34.980 -78.134 36.205 1.00 15.75 C -ATOM 8841 CZ2 TRP D 262 35.624 -78.065 34.999 1.00 15.36 C -ATOM 8842 C TRP D 262 35.170 -83.535 35.229 1.00 8.40 C -ATOM 8843 O TRP D 262 34.307 -82.982 34.566 1.00 9.06 O -ATOM 8844 N GLY D 263 35.037 -83.968 36.468 1.00 9.01 N -ATOM 8845 CA GLY D 263 33.831 -83.758 37.274 1.00 9.43 C -ATOM 8846 C GLY D 263 32.718 -84.751 36.979 1.00 9.98 C -ATOM 8847 O GLY D 263 31.620 -84.564 37.506 1.00 11.17 O -ATOM 8848 N ASP D 264 32.980 -85.815 36.215 1.00 9.48 N -ATOM 8849 CA ASP D 264 31.932 -86.785 35.818 1.00 9.89 C -ATOM 8850 CB ASP D 264 31.903 -86.886 34.294 1.00 10.07 C -ATOM 8851 CG ASP D 264 30.587 -87.404 33.741 1.00 10.43 C -ATOM 8852 OD1 ASP D 264 29.558 -87.165 34.420 1.00 11.18 O -ATOM 8853 OD2 ASP D 264 30.589 -87.991 32.649 1.00 10.35 O -ATOM 8854 C ASP D 264 32.157 -88.129 36.495 1.00 10.10 C -ATOM 8855 O ASP D 264 32.054 -89.177 35.834 1.00 10.48 O -ATOM 8856 N ASP D 265 32.411 -88.108 37.788 1.00 10.47 N -ATOM 8857 CA ASP D 265 32.917 -89.295 38.515 1.00 10.61 C -ATOM 8858 CB ASP D 265 33.344 -88.915 39.925 1.00 10.18 C -ATOM 8859 CG ASP D 265 34.497 -87.950 39.903 1.00 9.59 C -ATOM 8860 OD1 ASP D 265 34.248 -86.766 39.567 1.00 11.09 O -ATOM 8861 OD2 ASP D 265 35.598 -88.397 40.132 1.00 10.30 O -ATOM 8862 C ASP D 265 31.892 -90.433 38.575 1.00 11.92 C -ATOM 8863 O ASP D 265 32.354 -91.565 38.799 1.00 12.57 O -ATOM 8864 N GLU D 266 30.611 -90.144 38.434 1.00 11.61 N -ATOM 8865 CA GLU D 266 29.550 -91.186 38.586 1.00 13.56 C -ATOM 8866 CB GLU D 266 28.218 -90.536 38.940 1.00 16.26 C -ATOM 8867 CG GLU D 266 28.287 -89.655 40.175 1.00 20.56 C -ATOM 8868 CD GLU D 266 29.022 -90.276 41.351 1.00 24.69 C -ATOM 8869 OE1 GLU D 266 28.682 -91.421 41.714 1.00 29.98 O -ATOM 8870 OE2 GLU D 266 29.945 -89.612 41.910 1.00 30.51 O -ATOM 8871 C GLU D 266 29.422 -92.022 37.310 1.00 13.30 C -ATOM 8872 O GLU D 266 28.704 -93.057 37.313 1.00 14.39 O -ATOM 8873 N VAL D 267 30.027 -91.568 36.225 1.00 12.03 N -ATOM 8874 CA VAL D 267 29.910 -92.293 34.935 1.00 11.46 C -ATOM 8875 CB VAL D 267 29.760 -91.280 33.798 1.00 11.55 C -ATOM 8876 CG1 VAL D 267 29.909 -91.905 32.439 1.00 11.87 C -ATOM 8877 CG2 VAL D 267 28.457 -90.522 33.922 1.00 11.23 C -ATOM 8878 C VAL D 267 31.106 -93.214 34.780 1.00 11.45 C -ATOM 8879 O VAL D 267 32.273 -92.805 35.000 1.00 11.61 O -ATOM 8880 N SER D 268 30.866 -94.437 34.322 1.00 10.54 N -ATOM 8881 CA SER D 268 31.896 -95.495 34.267 1.00 10.73 C -ATOM 8882 CB SER D 268 31.285 -96.850 33.968 1.00 10.97 C -ATOM 8883 OG SER D 268 30.830 -96.882 32.623 1.00 11.73 O -ATOM 8884 C SER D 268 32.913 -95.191 33.167 1.00 10.06 C -ATOM 8885 O SER D 268 32.621 -94.458 32.172 1.00 10.71 O -ATOM 8886 N PHE D 269 34.069 -95.808 33.296 1.00 9.57 N -ATOM 8887 CA PHE D 269 35.089 -95.715 32.232 1.00 10.28 C -ATOM 8888 CB PHE D 269 36.328 -96.451 32.681 1.00 10.63 C -ATOM 8889 CG PHE D 269 37.513 -96.370 31.756 1.00 9.78 C -ATOM 8890 CD1 PHE D 269 37.843 -95.211 31.039 1.00 9.12 C -ATOM 8891 CE1 PHE D 269 38.952 -95.182 30.210 1.00 10.32 C -ATOM 8892 CZ PHE D 269 39.770 -96.267 30.100 1.00 9.31 C -ATOM 8893 CD2 PHE D 269 38.343 -97.463 31.631 1.00 9.33 C -ATOM 8894 CE2 PHE D 269 39.458 -97.406 30.817 1.00 9.25 C -ATOM 8895 C PHE D 269 34.490 -96.226 30.923 1.00 9.57 C -ATOM 8896 O PHE D 269 34.725 -95.662 29.864 1.00 9.72 O -ATOM 8897 N ALA D 270 33.798 -97.365 30.964 1.00 9.40 N -ATOM 8898 CA ALA D 270 33.187 -97.935 29.751 1.00 9.65 C -ATOM 8899 CB ALA D 270 32.368 -99.162 30.076 1.00 10.19 C -ATOM 8900 C ALA D 270 32.331 -96.891 29.048 1.00 9.35 C -ATOM 8901 O ALA D 270 32.363 -96.821 27.815 1.00 9.45 O -ATOM 8902 N GLN D 271 31.521 -96.132 29.757 1.00 9.17 N -ATOM 8903 CA GLN D 271 30.651 -95.131 29.105 1.00 9.42 C -ATOM 8904 CB GLN D 271 29.594 -94.648 30.089 1.00 11.58 C -ATOM 8905 CG GLN D 271 28.656 -93.617 29.475 1.00 13.16 C -ATOM 8906 CD GLN D 271 27.296 -93.544 30.125 1.00 14.49 C -ATOM 8907 OE1 GLN D 271 27.164 -93.725 31.317 1.00 16.96 O -ATOM 8908 NE2 GLN D 271 26.273 -93.241 29.347 1.00 18.35 N -ATOM 8909 C GLN D 271 31.527 -94.007 28.562 1.00 9.96 C -ATOM 8910 O GLN D 271 31.284 -93.560 27.462 1.00 10.35 O -ATOM 8911 N HIS D 272 32.541 -93.572 29.295 1.00 9.05 N -ATOM 8912 CA HIS D 272 33.396 -92.478 28.782 1.00 9.15 C -ATOM 8913 CB HIS D 272 34.372 -92.032 29.869 1.00 8.98 C -ATOM 8914 CG HIS D 272 33.729 -91.235 30.950 1.00 8.89 C -ATOM 8915 ND1 HIS D 272 34.015 -91.358 32.295 1.00 9.41 N -ATOM 8916 CE1 HIS D 272 33.267 -90.465 32.927 1.00 9.55 C -ATOM 8917 NE2 HIS D 272 32.539 -89.793 32.065 1.00 9.61 N -ATOM 8918 CD2 HIS D 272 32.779 -90.296 30.835 1.00 8.53 C -ATOM 8919 C HIS D 272 34.114 -92.956 27.518 1.00 9.18 C -ATOM 8920 O HIS D 272 34.312 -92.136 26.579 1.00 9.48 O -ATOM 8921 N ILE D 273 34.529 -94.220 27.461 1.00 8.70 N -ATOM 8922 CA ILE D 273 35.155 -94.808 26.239 1.00 9.18 C -ATOM 8923 CB ILE D 273 35.570 -96.272 26.466 1.00 9.42 C -ATOM 8924 CG1 ILE D 273 36.803 -96.346 27.353 1.00 10.05 C -ATOM 8925 CG2 ILE D 273 35.842 -96.965 25.147 1.00 9.13 C -ATOM 8926 CD1 ILE D 273 37.001 -97.675 27.989 1.00 10.98 C -ATOM 8927 C ILE D 273 34.169 -94.679 25.072 1.00 9.70 C -ATOM 8928 O ILE D 273 34.542 -94.240 23.960 1.00 9.72 O -ATOM 8929 N ASN D 274 32.900 -95.029 25.294 1.00 9.82 N -ATOM 8930 CA ASN D 274 31.873 -94.908 24.233 1.00 10.55 C -ATOM 8931 CB ASN D 274 30.556 -95.525 24.712 1.00 11.48 C -ATOM 8932 CG ASN D 274 29.747 -96.132 23.574 1.00 12.70 C -ATOM 8933 OD1 ASN D 274 30.252 -96.978 22.844 1.00 15.95 O -ATOM 8934 ND2 ASN D 274 28.520 -95.666 23.404 1.00 15.11 N -ATOM 8935 C ASN D 274 31.740 -93.449 23.806 1.00 11.33 C -ATOM 8936 O ASN D 274 31.337 -93.210 22.646 1.00 13.28 O -ATOM 8937 N GLN D 275 31.946 -92.498 24.730 1.00 10.75 N -ATOM 8938 CA GLN D 275 31.788 -91.028 24.513 1.00 10.45 C -ATOM 8939 CB GLN D 275 31.338 -90.383 25.830 1.00 11.53 C -ATOM 8940 CG GLN D 275 29.951 -90.880 26.262 1.00 12.58 C -ATOM 8941 CD GLN D 275 29.463 -90.469 27.637 1.00 13.55 C -ATOM 8942 OE1 GLN D 275 30.207 -90.101 28.555 1.00 13.46 O -ATOM 8943 NE2 GLN D 275 28.146 -90.517 27.815 1.00 14.93 N -ATOM 8944 C GLN D 275 33.067 -90.451 23.876 1.00 9.84 C -ATOM 8945 O GLN D 275 33.106 -89.215 23.715 1.00 10.71 O -ATOM 8946 N LYS D 276 34.027 -91.275 23.509 1.00 8.93 N -ATOM 8947 CA LYS D 276 35.281 -90.889 22.829 1.00 8.12 C -ATOM 8948 CB LYS D 276 34.975 -90.358 21.435 1.00 9.43 C -ATOM 8949 CG LYS D 276 34.225 -91.330 20.541 1.00 10.59 C -ATOM 8950 CD LYS D 276 34.945 -92.632 20.275 1.00 12.80 C -ATOM 8951 CE LYS D 276 34.082 -93.532 19.395 1.00 15.51 C -ATOM 8952 NZ LYS D 276 34.630 -94.893 19.278 1.00 17.31 N -ATOM 8953 C LYS D 276 36.087 -89.887 23.650 1.00 7.29 C -ATOM 8954 O LYS D 276 36.705 -88.938 23.054 1.00 8.27 O -ATOM 8955 N ILE D 277 36.169 -90.099 24.946 1.00 7.51 N -ATOM 8956 CA ILE D 277 36.977 -89.240 25.847 1.00 6.95 C -ATOM 8957 CB ILE D 277 36.276 -89.074 27.184 1.00 7.44 C -ATOM 8958 CG1 ILE D 277 34.947 -88.368 26.996 1.00 7.27 C -ATOM 8959 CG2 ILE D 277 37.125 -88.338 28.173 1.00 6.98 C -ATOM 8960 CD1 ILE D 277 33.960 -88.588 28.116 1.00 7.81 C -ATOM 8961 C ILE D 277 38.352 -89.865 26.009 1.00 7.16 C -ATOM 8962 O ILE D 277 38.455 -91.009 26.475 1.00 7.31 O -ATOM 8963 N ASN D 278 39.422 -89.139 25.705 1.00 6.75 N -ATOM 8964 CA ASN D 278 40.761 -89.683 25.898 1.00 6.58 C -ATOM 8965 CB ASN D 278 41.812 -88.822 25.206 1.00 6.26 C -ATOM 8966 CG ASN D 278 41.764 -88.946 23.694 1.00 6.78 C -ATOM 8967 OD1 ASN D 278 41.341 -87.994 23.031 1.00 6.91 O -ATOM 8968 ND2 ASN D 278 42.254 -90.049 23.149 1.00 6.83 N -ATOM 8969 C ASN D 278 41.127 -89.791 27.380 1.00 6.54 C -ATOM 8970 O ASN D 278 41.737 -90.799 27.749 1.00 7.54 O -ATOM 8971 N LEU D 279 40.883 -88.745 28.162 1.00 6.25 N -ATOM 8972 CA LEU D 279 41.331 -88.688 29.562 1.00 6.40 C -ATOM 8973 CB LEU D 279 42.394 -87.605 29.769 1.00 6.79 C -ATOM 8974 CG LEU D 279 43.538 -87.604 28.761 1.00 6.79 C -ATOM 8975 CD1 LEU D 279 44.448 -86.373 28.968 1.00 7.16 C -ATOM 8976 CD2 LEU D 279 44.392 -88.870 28.822 1.00 7.55 C -ATOM 8977 C LEU D 279 40.129 -88.423 30.441 1.00 6.68 C -ATOM 8978 O LEU D 279 39.582 -87.309 30.394 1.00 7.31 O -ATOM 8979 N SER D 280 39.657 -89.443 31.159 1.00 6.61 N -ATOM 8980 CA SER D 280 38.501 -89.340 32.079 1.00 7.07 C -ATOM 8981 CB SER D 280 37.631 -90.557 31.945 1.00 7.99 C -ATOM 8982 OG SER D 280 36.982 -90.603 30.688 1.00 8.92 O -ATOM 8983 C SER D 280 39.020 -89.150 33.493 1.00 7.17 C -ATOM 8984 O SER D 280 39.608 -90.096 34.070 1.00 7.26 O -ATOM 8985 N ALA D 281 38.900 -87.940 34.025 1.00 7.64 N -ATOM 8986 CA ALA D 281 39.492 -87.594 35.335 1.00 7.37 C -ATOM 8987 CB ALA D 281 39.764 -86.115 35.395 1.00 7.25 C -ATOM 8988 C ALA D 281 38.562 -88.008 36.463 1.00 7.56 C -ATOM 8989 O ALA D 281 37.416 -87.529 36.519 1.00 9.36 O -ATOM 8990 N TYR D 282 39.086 -88.820 37.360 1.00 7.52 N -ATOM 8991 CA TYR D 282 38.372 -89.302 38.549 1.00 7.74 C -ATOM 8992 CB TYR D 282 38.174 -90.812 38.466 1.00 8.62 C -ATOM 8993 CG TYR D 282 37.278 -91.325 37.371 1.00 8.03 C -ATOM 8994 CD1 TYR D 282 37.785 -91.643 36.122 1.00 8.39 C -ATOM 8995 CE1 TYR D 282 36.988 -92.192 35.141 1.00 8.50 C -ATOM 8996 CZ TYR D 282 35.645 -92.391 35.395 1.00 9.47 C -ATOM 8997 OH TYR D 282 34.867 -92.946 34.409 1.00 10.48 O -ATOM 8998 CE2 TYR D 282 35.100 -92.080 36.619 1.00 9.19 C -ATOM 8999 CD2 TYR D 282 35.929 -91.581 37.599 1.00 8.83 C -ATOM 9000 C TYR D 282 39.164 -89.018 39.817 1.00 7.63 C -ATOM 9001 O TYR D 282 40.323 -89.283 39.917 1.00 8.01 O -ATOM 9002 N TYR D 283 38.445 -88.525 40.826 1.00 8.27 N -ATOM 9003 CA TYR D 283 39.006 -88.412 42.192 1.00 8.93 C -ATOM 9004 CB TYR D 283 37.955 -87.822 43.125 1.00 8.52 C -ATOM 9005 CG TYR D 283 37.659 -86.371 42.858 1.00 9.27 C -ATOM 9006 CD1 TYR D 283 38.641 -85.396 42.908 1.00 10.21 C -ATOM 9007 CE1 TYR D 283 38.350 -84.057 42.713 1.00 9.37 C -ATOM 9008 CZ TYR D 283 37.047 -83.680 42.429 1.00 10.76 C -ATOM 9009 OH TYR D 283 36.680 -82.383 42.250 1.00 11.74 O -ATOM 9010 CE2 TYR D 283 36.062 -84.640 42.322 1.00 10.70 C -ATOM 9011 CD2 TYR D 283 36.379 -85.973 42.547 1.00 10.38 C -ATOM 9012 C TYR D 283 39.463 -89.797 42.661 1.00 8.40 C -ATOM 9013 O TYR D 283 40.557 -89.914 43.113 1.00 9.31 O -ATOM 9014 N ARG D 284 38.578 -90.785 42.525 1.00 9.39 N -ATOM 9015 CA ARG D 284 38.875 -92.188 42.931 1.00 9.63 C -ATOM 9016 CB ARG D 284 37.681 -92.779 43.681 1.00 12.04 C -ATOM 9017 CG ARG D 284 37.285 -92.036 44.952 1.00 15.53 C -ATOM 9018 CD ARG D 284 35.882 -92.429 45.434 1.00 21.18 C -ATOM 9019 NE ARG D 284 35.815 -93.881 45.642 1.00 29.01 N -ATOM 9020 CZ ARG D 284 34.737 -94.675 45.561 1.00 32.40 C -ATOM 9021 NH1 ARG D 284 33.533 -94.195 45.290 1.00 35.27 N -ATOM 9022 NH2 ARG D 284 34.884 -95.974 45.774 1.00 34.58 N -ATOM 9023 C ARG D 284 39.258 -92.982 41.684 1.00 9.06 C -ATOM 9024 O ARG D 284 38.463 -93.790 41.219 1.00 10.38 O -ATOM 9025 N PHE D 285 40.413 -92.695 41.132 1.00 8.91 N -ATOM 9026 CA PHE D 285 40.886 -93.278 39.857 1.00 8.66 C -ATOM 9027 CB PHE D 285 42.151 -92.557 39.387 1.00 9.04 C -ATOM 9028 CG PHE D 285 43.199 -92.406 40.459 1.00 8.71 C -ATOM 9029 CD1 PHE D 285 44.134 -93.398 40.701 1.00 9.31 C -ATOM 9030 CE1 PHE D 285 45.075 -93.268 41.715 1.00 9.73 C -ATOM 9031 CZ PHE D 285 45.073 -92.173 42.550 1.00 9.92 C -ATOM 9032 CD2 PHE D 285 43.257 -91.258 41.259 1.00 9.65 C -ATOM 9033 CE2 PHE D 285 44.162 -91.162 42.305 1.00 9.90 C -ATOM 9034 C PHE D 285 41.062 -94.793 39.998 1.00 8.67 C -ATOM 9035 O PHE D 285 40.792 -95.500 39.044 1.00 9.02 O -ATOM 9036 N ALA D 286 41.598 -95.267 41.109 1.00 9.30 N -ATOM 9037 CA ALA D 286 41.989 -96.694 41.225 1.00 10.57 C -ATOM 9038 CB ALA D 286 42.738 -96.974 42.493 1.00 11.32 C -ATOM 9039 C ALA D 286 40.717 -97.551 41.151 1.00 10.54 C -ATOM 9040 O ALA D 286 40.798 -98.713 40.668 1.00 11.73 O -ATOM 9041 N ALA D 287 39.563 -97.048 41.569 1.00 10.70 N -ATOM 9042 CA ALA D 287 38.262 -97.755 41.580 1.00 11.70 C -ATOM 9043 CB ALA D 287 37.245 -96.980 42.395 1.00 12.35 C -ATOM 9044 C ALA D 287 37.706 -97.950 40.181 1.00 11.49 C -ATOM 9045 O ALA D 287 36.737 -98.699 40.031 1.00 13.47 O -ATOM 9046 N GLN D 288 38.232 -97.243 39.180 1.00 11.16 N -ATOM 9047 CA GLN D 288 37.715 -97.303 37.811 1.00 10.61 C -ATOM 9048 CB GLN D 288 37.841 -95.942 37.137 1.00 10.69 C -ATOM 9049 CG GLN D 288 37.336 -94.782 38.003 1.00 11.27 C -ATOM 9050 CD GLN D 288 35.977 -94.946 38.643 1.00 12.28 C -ATOM 9051 OE1 GLN D 288 35.025 -95.353 37.972 1.00 12.99 O -ATOM 9052 NE2 GLN D 288 35.838 -94.465 39.885 1.00 13.27 N -ATOM 9053 C GLN D 288 38.492 -98.334 37.006 1.00 10.76 C -ATOM 9054 O GLN D 288 39.704 -98.444 37.157 1.00 12.32 O -ATOM 9055 N SER D 289 37.756 -98.998 36.141 1.00 11.55 N -ATOM 9056 CA SER D 289 38.342 -99.892 35.126 1.00 13.59 C -ATOM 9057 CB SER D 289 38.949-101.110 35.738 1.00 14.80 C -ATOM 9058 OG SER D 289 37.906-102.026 36.039 1.00 18.12 O -ATOM 9059 C SER D 289 37.242-100.267 34.157 1.00 12.86 C -ATOM 9060 O SER D 289 36.073-100.127 34.470 1.00 13.04 O -ATOM 9061 N ALA D 290 37.672-100.790 33.020 1.00 13.45 N -ATOM 9062 CA ALA D 290 36.805-101.485 32.061 1.00 15.73 C -ATOM 9063 CB ALA D 290 36.659-100.708 30.801 1.00 16.08 C -ATOM 9064 C ALA D 290 37.474-102.832 31.824 1.00 15.40 C -ATOM 9065 O ALA D 290 38.554-102.869 31.216 1.00 15.36 O -ATOM 9066 N GLY D 291 36.939-103.902 32.404 1.00 18.91 N -ATOM 9067 CA GLY D 291 37.473-105.252 32.151 1.00 20.48 C -ATOM 9068 C GLY D 291 38.903-105.375 32.660 1.00 19.44 C -ATOM 9069 O GLY D 291 39.725-106.024 31.982 1.00 20.60 O -ATOM 9070 N GLY D 292 39.198-104.712 33.779 1.00 17.56 N -ATOM 9071 CA GLY D 292 40.518-104.697 34.436 1.00 15.89 C -ATOM 9072 C GLY D 292 41.495-103.729 33.794 1.00 14.63 C -ATOM 9073 O GLY D 292 42.583-103.586 34.349 1.00 16.57 O -ATOM 9074 N TYR D 293 41.077-102.994 32.757 1.00 12.04 N -ATOM 9075 CA TYR D 293 41.915-101.976 32.075 1.00 10.35 C -ATOM 9076 CB TYR D 293 41.831-102.082 30.564 1.00 10.75 C -ATOM 9077 CG TYR D 293 42.300-103.413 30.035 1.00 11.33 C -ATOM 9078 CD1 TYR D 293 43.523-103.929 30.398 1.00 10.99 C -ATOM 9079 CE1 TYR D 293 43.993-105.138 29.892 1.00 13.37 C -ATOM 9080 CZ TYR D 293 43.198-105.862 29.025 1.00 13.23 C -ATOM 9081 OH TYR D 293 43.624-107.064 28.481 1.00 15.69 O -ATOM 9082 CE2 TYR D 293 41.958-105.372 28.645 1.00 14.10 C -ATOM 9083 CD2 TYR D 293 41.521-104.148 29.148 1.00 13.11 C -ATOM 9084 C TYR D 293 41.537-100.571 32.514 1.00 9.24 C -ATOM 9085 O TYR D 293 40.370-100.232 32.563 1.00 10.47 O -ATOM 9086 N ARG D 294 42.583 -99.775 32.757 1.00 9.41 N -ATOM 9087 CA ARG D 294 42.467 -98.289 32.903 1.00 9.53 C -ATOM 9088 CB ARG D 294 43.109 -97.795 34.197 1.00 9.37 C -ATOM 9089 CG ARG D 294 42.543 -98.422 35.452 1.00 9.76 C -ATOM 9090 CD ARG D 294 42.813 -97.583 36.696 1.00 9.83 C -ATOM 9091 NE ARG D 294 42.577 -98.364 37.910 1.00 12.19 N -ATOM 9092 CZ ARG D 294 43.437 -99.243 38.423 1.00 12.11 C -ATOM 9093 NH1 ARG D 294 44.617 -99.471 37.877 1.00 11.19 N -ATOM 9094 NH2 ARG D 294 43.086 -99.944 39.488 1.00 12.37 N -ATOM 9095 C ARG D 294 43.020 -97.572 31.681 1.00 8.67 C -ATOM 9096 O ARG D 294 42.842 -96.338 31.629 1.00 8.36 O -ATOM 9097 N ILE D 295 43.683 -98.283 30.759 1.00 8.20 N -ATOM 9098 CA ILE D 295 44.243 -97.674 29.524 1.00 8.47 C -ATOM 9099 CB ILE D 295 45.742 -97.378 29.652 1.00 8.77 C -ATOM 9100 CG1 ILE D 295 46.014 -96.354 30.757 1.00 9.33 C -ATOM 9101 CG2 ILE D 295 46.285 -96.902 28.317 1.00 8.78 C -ATOM 9102 CD1 ILE D 295 47.419 -95.975 30.934 1.00 10.12 C -ATOM 9103 C ILE D 295 43.972 -98.665 28.411 1.00 8.23 C -ATOM 9104 O ILE D 295 44.291 -99.845 28.574 1.00 9.87 O -ATOM 9105 N ARG D 296 43.273 -98.250 27.397 1.00 8.00 N -ATOM 9106 CA ARG D 296 42.947 -99.172 26.286 1.00 8.19 C -ATOM 9107 CB ARG D 296 41.856-100.154 26.689 1.00 9.45 C -ATOM 9108 CG ARG D 296 40.687 -99.462 27.364 1.00 11.74 C -ATOM 9109 CD ARG D 296 39.458-100.335 27.297 1.00 13.20 C -ATOM 9110 NE ARG D 296 38.848-100.178 25.992 1.00 14.80 N -ATOM 9111 CZ ARG D 296 37.666-100.645 25.639 1.00 16.94 C -ATOM 9112 NH1 ARG D 296 36.957-101.361 26.499 1.00 19.28 N -ATOM 9113 NH2 ARG D 296 37.210-100.397 24.423 1.00 19.87 N -ATOM 9114 C ARG D 296 42.523 -98.365 25.078 1.00 8.55 C -ATOM 9115 O ARG D 296 42.064 -97.213 25.167 1.00 8.05 O -ATOM 9116 N PRO D 297 42.619 -98.946 23.871 1.00 8.62 N -ATOM 9117 CA PRO D 297 42.055 -98.309 22.695 1.00 8.86 C -ATOM 9118 CB PRO D 297 42.354 -99.300 21.545 1.00 9.62 C -ATOM 9119 CG PRO D 297 43.470-100.119 22.084 1.00 9.62 C -ATOM 9120 CD PRO D 297 43.216-100.261 23.572 1.00 9.39 C -ATOM 9121 C PRO D 297 40.553 -98.117 22.838 1.00 8.99 C -ATOM 9122 O PRO D 297 39.878 -98.914 23.514 1.00 9.91 O -ATOM 9123 N PHE D 298 40.032 -97.095 22.185 1.00 9.16 N -ATOM 9124 CA PHE D 298 38.575 -96.898 22.076 1.00 11.17 C -ATOM 9125 CB PHE D 298 38.232 -95.699 21.207 1.00 11.06 C -ATOM 9126 CG PHE D 298 38.544 -94.383 21.865 1.00 9.84 C -ATOM 9127 CD1 PHE D 298 37.895 -93.943 23.010 1.00 9.47 C -ATOM 9128 CE1 PHE D 298 38.218 -92.726 23.590 1.00 9.71 C -ATOM 9129 CZ PHE D 298 39.200 -91.946 23.027 1.00 10.27 C -ATOM 9130 CD2 PHE D 298 39.538 -93.599 21.333 1.00 10.30 C -ATOM 9131 CE2 PHE D 298 39.832 -92.366 21.879 1.00 10.33 C -ATOM 9132 C PHE D 298 37.898 -98.127 21.478 1.00 12.59 C -ATOM 9133 O PHE D 298 36.703 -98.294 21.784 1.00 17.07 O -ATOM 9134 OXT PHE D 298 38.467 -98.864 20.678 1.00 14.55 O -END diff --git a/tests/test_data/8ira.cif b/tests/test_data/8ira.cif new file mode 100644 index 0000000..583c8f1 --- /dev/null +++ b/tests/test_data/8ira.cif @@ -0,0 +1,143235 @@ +data_8IRA +# +_entry.id 8IRA +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 8IRA pdb_00008ira 10.2210/pdb8ira/pdb +WWPDB D_1300035653 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2024-01-17 +2 'Structure model' 1 1 2024-02-14 +3 'Structure model' 1 2 2024-02-28 +4 'Structure model' 2 0 2024-03-20 +# +loop_ +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.details +1 1 'Structure model' repository 'Initial release' ? ? +2 4 'Structure model' author 'Coordinate replacement' 'Model completeness' +'Water A/514 has a double conformation, but was assigned with a single conformation in the previous model.' +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Database references' +2 3 'Structure model' 'Database references' +3 4 'Structure model' Advisory +4 4 'Structure model' 'Atomic model' +5 4 'Structure model' 'Data collection' +6 4 'Structure model' 'Database references' +7 4 'Structure model' 'Derived calculations' +8 4 'Structure model' 'Refinement description' +9 4 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' citation +2 2 'Structure model' citation_author +3 3 'Structure model' citation +4 4 'Structure model' atom_site +5 4 'Structure model' atom_site_anisotrop +6 4 'Structure model' citation_author +7 4 'Structure model' entity +8 4 'Structure model' pdbx_contact_author +9 4 'Structure model' pdbx_nonpoly_scheme +10 4 'Structure model' pdbx_refine_tls +11 4 'Structure model' pdbx_struct_assembly +12 4 'Structure model' pdbx_struct_conn_angle +13 4 'Structure model' pdbx_struct_sheet_hbond +14 4 'Structure model' pdbx_unobs_or_zero_occ_atoms +15 4 'Structure model' pdbx_validate_chiral +16 4 'Structure model' pdbx_validate_close_contact +17 4 'Structure model' pdbx_validate_torsion +18 4 'Structure model' refine +19 4 'Structure model' refine_hist +20 4 'Structure model' refine_ls_restr +21 4 'Structure model' refine_ls_shell +22 4 'Structure model' reflns +23 4 'Structure model' software +24 4 'Structure model' struct_asym +25 4 'Structure model' struct_conf +26 4 'Structure model' struct_conn +27 4 'Structure model' struct_mon_prot_cis +28 4 'Structure model' struct_sheet_range +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_citation.pdbx_database_id_PubMed' +2 2 'Structure model' '_citation.title' +3 2 'Structure model' '_citation_author.identifier_ORCID' +4 2 'Structure model' '_citation_author.name' +5 3 'Structure model' '_citation.journal_volume' +6 3 'Structure model' '_citation.page_first' +7 3 'Structure model' '_citation.page_last' +8 4 'Structure model' '_citation_author.identifier_ORCID' +9 4 'Structure model' '_entity.pdbx_number_of_molecules' +10 4 'Structure model' '_pdbx_refine_tls.L[1][1]' +11 4 'Structure model' '_pdbx_refine_tls.L[1][2]' +12 4 'Structure model' '_pdbx_refine_tls.L[1][3]' +13 4 'Structure model' '_pdbx_refine_tls.L[2][2]' +14 4 'Structure model' '_pdbx_refine_tls.L[2][3]' +15 4 'Structure model' '_pdbx_refine_tls.L[3][3]' +16 4 'Structure model' '_pdbx_refine_tls.S[1][1]' +17 4 'Structure model' '_pdbx_refine_tls.S[1][2]' +18 4 'Structure model' '_pdbx_refine_tls.S[1][3]' +19 4 'Structure model' '_pdbx_refine_tls.S[2][1]' +20 4 'Structure model' '_pdbx_refine_tls.S[2][2]' +21 4 'Structure model' '_pdbx_refine_tls.S[2][3]' +22 4 'Structure model' '_pdbx_refine_tls.S[3][1]' +23 4 'Structure model' '_pdbx_refine_tls.S[3][2]' +24 4 'Structure model' '_pdbx_refine_tls.T[1][1]' +25 4 'Structure model' '_pdbx_refine_tls.T[1][2]' +26 4 'Structure model' '_pdbx_refine_tls.T[1][3]' +27 4 'Structure model' '_pdbx_refine_tls.T[2][2]' +28 4 'Structure model' '_pdbx_refine_tls.T[2][3]' +29 4 'Structure model' '_pdbx_refine_tls.T[3][3]' +30 4 'Structure model' '_pdbx_refine_tls.origin_x' +31 4 'Structure model' '_pdbx_refine_tls.origin_y' +32 4 'Structure model' '_pdbx_refine_tls.origin_z' +33 4 'Structure model' '_pdbx_struct_assembly.details' +34 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_asym_id' +35 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id' +36 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id' +37 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id' +38 4 'Structure model' '_pdbx_struct_conn_angle.ptnr2_auth_asym_id' +39 4 'Structure model' '_pdbx_struct_conn_angle.ptnr2_auth_seq_id' +40 4 'Structure model' '_pdbx_struct_conn_angle.ptnr2_label_asym_id' +41 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_asym_id' +42 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' +43 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id' +44 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id' +45 4 'Structure model' '_pdbx_struct_conn_angle.value' +46 4 'Structure model' '_pdbx_struct_sheet_hbond.range_1_auth_comp_id' +47 4 'Structure model' '_pdbx_struct_sheet_hbond.range_1_auth_seq_id' +48 4 'Structure model' '_pdbx_struct_sheet_hbond.range_1_label_comp_id' +49 4 'Structure model' '_pdbx_struct_sheet_hbond.range_1_label_seq_id' +50 4 'Structure model' '_pdbx_struct_sheet_hbond.range_2_auth_comp_id' +51 4 'Structure model' '_pdbx_struct_sheet_hbond.range_2_auth_seq_id' +52 4 'Structure model' '_pdbx_struct_sheet_hbond.range_2_label_comp_id' +53 4 'Structure model' '_pdbx_struct_sheet_hbond.range_2_label_seq_id' +54 4 'Structure model' '_pdbx_unobs_or_zero_occ_atoms.auth_seq_id' +55 4 'Structure model' '_pdbx_unobs_or_zero_occ_atoms.label_asym_id' +56 4 'Structure model' '_pdbx_validate_close_contact.auth_asym_id_1' +57 4 'Structure model' '_pdbx_validate_close_contact.auth_asym_id_2' +58 4 'Structure model' '_pdbx_validate_close_contact.auth_atom_id_1' +59 4 'Structure model' '_pdbx_validate_close_contact.auth_atom_id_2' +60 4 'Structure model' '_pdbx_validate_close_contact.auth_comp_id_1' +61 4 'Structure model' '_pdbx_validate_close_contact.auth_comp_id_2' +62 4 'Structure model' '_pdbx_validate_close_contact.auth_seq_id_1' +63 4 'Structure model' '_pdbx_validate_close_contact.auth_seq_id_2' +64 4 'Structure model' '_pdbx_validate_close_contact.dist' +65 4 'Structure model' '_refine.ls_R_factor_R_free' +66 4 'Structure model' '_refine.ls_R_factor_R_work' +67 4 'Structure model' '_refine.ls_R_factor_obs' +68 4 'Structure model' '_refine.ls_number_reflns_R_free' +69 4 'Structure model' '_refine.ls_number_reflns_obs' +70 4 'Structure model' '_refine.ls_percent_reflns_obs' +71 4 'Structure model' '_refine.pdbx_ls_sigma_F' +72 4 'Structure model' '_refine.pdbx_overall_phase_error' +73 4 'Structure model' '_refine_hist.number_atoms_solvent' +74 4 'Structure model' '_refine_hist.number_atoms_total' +75 4 'Structure model' '_refine_ls_restr.dev_ideal' +76 4 'Structure model' '_refine_ls_restr.number' +77 4 'Structure model' '_refine_ls_shell.R_factor_R_free' +78 4 'Structure model' '_refine_ls_shell.R_factor_R_work' +79 4 'Structure model' '_refine_ls_shell.number_reflns_R_free' +80 4 'Structure model' '_refine_ls_shell.number_reflns_R_work' +81 4 'Structure model' '_reflns.number_obs' +82 4 'Structure model' '_software.version' +83 4 'Structure model' '_struct_asym.entity_id' +84 4 'Structure model' '_struct_conf.beg_auth_comp_id' +85 4 'Structure model' '_struct_conf.beg_auth_seq_id' +86 4 'Structure model' '_struct_conf.beg_label_comp_id' +87 4 'Structure model' '_struct_conf.beg_label_seq_id' +88 4 'Structure model' '_struct_conf.pdbx_PDB_helix_length' +89 4 'Structure model' '_struct_conn.pdbx_dist_value' +90 4 'Structure model' '_struct_conn.ptnr1_auth_asym_id' +91 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id' +92 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id' +93 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' +94 4 'Structure model' '_struct_conn.ptnr1_label_atom_id' +95 4 'Structure model' '_struct_conn.ptnr1_label_comp_id' +96 4 'Structure model' '_struct_conn.ptnr1_label_seq_id' +97 4 'Structure model' '_struct_conn.ptnr2_auth_asym_id' +98 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id' +99 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' +100 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' +101 4 'Structure model' '_struct_conn.ptnr2_label_atom_id' +102 4 'Structure model' '_struct_conn.ptnr2_label_comp_id' +103 4 'Structure model' '_struct_conn.ptnr2_label_seq_id' +104 4 'Structure model' '_struct_mon_prot_cis.pdbx_omega_angle' +105 4 'Structure model' '_struct_sheet_range.beg_auth_comp_id' +106 4 'Structure model' '_struct_sheet_range.beg_auth_seq_id' +107 4 'Structure model' '_struct_sheet_range.beg_label_comp_id' +108 4 'Structure model' '_struct_sheet_range.beg_label_seq_id' +109 4 'Structure model' '_struct_sheet_range.end_auth_comp_id' +110 4 'Structure model' '_struct_sheet_range.end_auth_seq_id' +111 4 'Structure model' '_struct_sheet_range.end_label_comp_id' +112 4 'Structure model' '_struct_sheet_range.end_label_seq_id' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 8IRA +_pdbx_database_status.recvd_initial_deposition_date 2023-03-17 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBJ +_pdbx_database_status.process_site PDBJ +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +# +loop_ +_pdbx_contact_author.id +_pdbx_contact_author.email +_pdbx_contact_author.name_first +_pdbx_contact_author.name_last +_pdbx_contact_author.name_mi +_pdbx_contact_author.role +_pdbx_contact_author.identifier_ORCID +2 shen@cc.okayama-u.ac.jp Jian-Ren Shen ? 'principal investigator/group leader' 0000-0003-4471-8797 +3 msuga@okayama-u.ac.jp Michihiro Suga ? 'principal investigator/group leader' 0000-0001-8542-5910 +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Li, H.' 1 0000-0002-8827-0093 +'Suga, M.' 2 0000-0001-8542-5910 +'Shen, J.R.' 3 0000-0003-4471-8797 +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country UK +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev Nature +_citation.journal_id_ASTM NATUAS +_citation.journal_id_CSD 0006 +_citation.journal_id_ISSN 1476-4687 +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume 626 +_citation.language ? +_citation.page_first 670 +_citation.page_last 677 +_citation.title 'Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.' +_citation.year 2024 +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI 10.1038/s41586-023-06987-5 +_citation.pdbx_database_id_PubMed 38297122 +_citation.pdbx_database_id_patent ? +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Li, H.' 1 0000-0002-8827-0093 +primary 'Nakajima, Y.' 2 0000-0002-0529-8075 +primary 'Nango, E.' 3 0000-0001-9851-7355 +primary 'Owada, S.' 4 ? +primary 'Yamada, D.' 5 ? +primary 'Hashimoto, K.' 6 ? +primary 'Luo, F.' 7 ? +primary 'Tanaka, R.' 8 ? +primary 'Akita, F.' 9 0000-0003-0537-6157 +primary 'Kato, K.' 10 ? +primary 'Kang, J.' 11 0000-0002-3506-6400 +primary 'Saitoh, Y.' 12 0000-0002-7720-7902 +primary 'Kishi, S.' 13 ? +primary 'Yu, H.' 14 ? +primary 'Matsubara, N.' 15 ? +primary 'Fujii, H.' 16 ? +primary 'Sugahara, M.' 17 ? +primary 'Suzuki, M.' 18 ? +primary 'Masuda, T.' 19 ? +primary 'Kimura, T.' 20 0000-0003-1650-7298 +primary 'Thao, T.N.' 21 0000-0001-6900-4606 +primary 'Yonekura, S.' 22 ? +primary 'Yu, L.J.' 23 0000-0002-4962-1049 +primary 'Tosha, T.' 24 0000-0002-8971-0759 +primary 'Tono, K.' 25 0000-0003-1218-3759 +primary 'Joti, Y.' 26 0000-0002-4040-5972 +primary 'Hatsui, T.' 27 0000-0001-8144-3484 +primary 'Yabashi, M.' 28 0000-0002-2472-1684 +primary 'Kubo, M.' 29 0000-0002-1470-942X +primary 'Iwata, S.' 30 0000-0003-1735-2937 +primary 'Isobe, H.' 31 ? +primary 'Yamaguchi, K.' 32 ? +primary 'Suga, M.' 33 0000-0001-8542-5910 +primary 'Shen, J.R.' 34 0000-0003-4471-8797 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Photosystem II protein D1' 38235.602 2 1.10.3.9 ? ? ? +2 polymer man 'Photosystem II CP47 reaction center protein' 56068.742 2 ? ? ? ? +3 polymer man 'Photosystem II CP43 reaction center protein' 49668.758 2 ? ? ? ? +4 polymer man 'Photosystem II D2 protein' 38404.949 2 ? ? ? ? +5 polymer man 'Cytochrome b559 subunit alpha' 9580.840 2 ? ? ? ? +6 polymer man 'Cytochrome b559 subunit beta' 4936.704 2 ? ? ? ? +7 polymer man 'Photosystem II reaction center protein H' 7227.559 2 ? ? ? ? +8 polymer man 'Photosystem II reaction center protein I' 4438.255 2 ? ? ? ? +9 polymer man 'Photosystem II reaction center protein J' 3974.712 2 ? ? ? ? +10 polymer man 'Photosystem II reaction center protein K' 4101.911 2 ? ? ? ? +11 polymer man 'Photosystem II reaction center protein L' 4299.044 2 ? ? ? ? +12 polymer man 'Photosystem II reaction center protein M' 4009.682 2 ? ? ? ? +13 polymer man 'Photosystem II manganese-stabilizing polypeptide' 26651.707 2 ? ? ? ? +14 polymer man 'Photosystem II reaction center protein T' 3906.738 2 ? ? ? ? +15 polymer man 'Photosystem II 12 kDa extrinsic protein' 11655.986 2 ? ? ? ? +16 polymer man 'Cytochrome c-550' 15148.255 2 ? ? ? ? +17 polymer man 'Photosystem II reaction center protein X' 4191.030 2 ? ? ? ? +18 polymer man 'Photosystem II reaction center protein Ycf12' 3228.035 2 ? ? ? ? +19 polymer man 'Photosystem II reaction center protein Z' 6766.187 2 ? ? ? ? +20 polymer man 'Photosystem II protein Y' 3859.732 1 ? ? ? ? +21 non-polymer syn 'FE (II) ION' 55.845 2 ? ? ? ? +22 non-polymer syn 'CHLORIDE ION' 35.453 4 ? ? ? ? +23 non-polymer syn 'CHLOROPHYLL A' 893.489 70 ? ? ? ? +24 non-polymer syn 'PHEOPHYTIN A' 871.200 4 ? ? ? ? +25 non-polymer syn BETA-CAROTENE 536.873 22 ? ? ? ? +26 non-polymer syn '1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL' 795.116 8 ? ? ? ? +27 non-polymer syn GLYCEROL 92.094 21 ? ? ? ? +28 non-polymer syn 'CA-MN4-O5 CLUSTER' 339.827 2 ? ? ? ? +29 non-polymer syn +;2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE +; +749.201 4 ? ? ? ? +30 non-polymer syn 'UNKNOWN LIGAND' ? 18 ? ? ? ? +31 non-polymer syn DODECYL-BETA-D-MALTOSIDE 510.615 14 ? ? ? ? +32 non-polymer syn 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE 722.970 10 ? ? ? ? +33 non-polymer syn 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE 787.158 12 ? ? ? ? +34 non-polymer syn 'heptyl 1-thio-beta-D-glucopyranoside' 294.408 11 ? ? ? ? +35 non-polymer syn 'DIGALACTOSYL DIACYL GLYCEROL (DGDG)' 949.299 8 ? ? ? ? +36 non-polymer syn 'CALCIUM ION' 40.078 7 ? ? ? ? +37 non-polymer syn 'BICARBONATE ION' 61.017 2 ? ? ? ? +38 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 2 ? ? ? ? +39 non-polymer syn 'MAGNESIUM ION' 24.305 2 ? ? ? ? +40 non-polymer syn 'HEME C' 618.503 2 ? ? ? ? +41 water nat water 18.015 1825 ? ? ? ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'PSII D1 protein,Photosystem II Q(B) protein' +2 'PSII 47 kDa protein,Protein CP-47' +3 'PSII 43 kDa protein,Protein CP-43' +4 'PSII D2 protein,Photosystem Q(A) protein' +5 'PSII reaction center subunit V' +6 'PSII reaction center subunit VI' +7 PSII-H +8 'PSII-I,PSII 4.4 kDa protein' +9 PSII-J +10 PSII-K +11 PSII-L +12 PSII-M +13 'MSP,Extrinsic protein O of oxygen-evolving complex' +14 PSII-Tc +15 'PS II complex 12 kDa extrinsic protein,PSII-U' +16 'Cytochrome c550,Low-potential cytochrome c,Extrinsic protein V of oxygen-evolving complex' +19 PSII-Z +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;MTTTLQRRESANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGSLLYGNNIITG +AVVPSSNAIGLHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLI +YPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFG +QEEETYNIVAAHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFAALGISTMAFNLNGFNFNHSVIDAKGNVINTWADI +INRANLGMEVMHERNAHNFPLDLA +; +;MTTTLQRRESANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGSLLYGNNIITG +AVVPSSNAIGLHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLI +YPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFG +QEEETYNIVAAHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFAALGISTMAFNLNGFNFNHSVIDAKGNVINTWADI +INRANLGMEVMHERNAHNFPLDLA +; +A,a ? +2 'polypeptide(L)' no no +;GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMFVLPFMARLGVTGSWSGWSIT +GETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLELFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGL +FGPGMWVSDPYGLTGSVQPVAPEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS +IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEAWSAIPEKLAFYDYIGNNPAK +GGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPAFFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSF +YGGELNGQTFTDPPTVKSYARKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG +IDPELSPEQVEWGFYQKVGDVTTRK +; +;GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMFVLPFMARLGVTGSWSGWSIT +GETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLELFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGL +FGPGMWVSDPYGLTGSVQPVAPEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS +IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEAWSAIPEKLAFYDYIGNNPAK +GGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPAFFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSF +YGGELNGQTFTDPPTVKSYARKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG +IDPELSPEQVEWGFYQKVGDVTTRK +; +B,b ? +3 'polypeptide(L)' no no +;NSIFATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWG +VGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAK +AMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFG +WARRAFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLG +KYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVN +FVSPRSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +;NSIFATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWG +VGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAK +AMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFG +WARRAFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLG +KYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVN +FVSPRSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +C,c ? +4 'polypeptide(L)' no no +;ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLL +LLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFA +PSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTAN +RFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMA +PQDQPHENFVFPEEVLPRGNAL +; +;ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLL +LLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFA +PSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTAN +RFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMA +PQDQPHENFVFPEEVLPRGNAL +; +D,d ? +5 'polypeptide(L)' no no +;MAGTTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFL +EQLK +; +;MAGTTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFL +EQLK +; +E,e ? +6 'polypeptide(L)' no no TSNTPNQEPVSYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR TSNTPNQEPVSYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR F,f ? +7 'polypeptide(L)' no no ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVSWKALG +ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVSWKALG H,h ? +8 'polypeptide(L)' no yes '(FME)ETLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKDLE' METLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKDLE I,i ? +9 'polypeptide(L)' no no MSEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL MSEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL J,j ? +10 'polypeptide(L)' no no KLPEAYAIFDPLVDVLPVIPVLFLALAFVWQAAVGFR KLPEAYAIFDPLVDVLPVIPVLFLALAFVWQAAVGFR K,k ? +11 'polypeptide(L)' no no MEPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN MEPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN L,l ? +12 'polypeptide(L)' no yes '(FME)EVNQLGLIATALFVLVPSVFLIILYVQTESQQKSS' MEVNQLGLIATALFVLVPSVFLIILYVQTESQQKSS M,m ? +13 'polypeptide(L)' no no +;QTLTYDDIVGTGLANKCPTLDDTARGAYPIDSSQTYRIARLCLQPTTFLVKEEPKNKRQEAEFVPTKLVTRETTSLDQIQ +GELKVNSDGSLTFVEEDGIDFQPVTVQMAGGERIPLLFTVKNLVASTQPNVTSITTSTDFKGEFNVPSYRTANFLDPKGR +GLASGYDSAIALPQAKEEELARANVKRFSLTKGQISLNVAKVDGRTGEIAGTFESEQLSDDDMGAHEPHEVKIQGVFYAS +IEPA +; +;QTLTYDDIVGTGLANKCPTLDDTARGAYPIDSSQTYRIARLCLQPTTFLVKEEPKNKRQEAEFVPTKLVTRETTSLDQIQ +GELKVNSDGSLTFVEEDGIDFQPVTVQMAGGERIPLLFTVKNLVASTQPNVTSITTSTDFKGEFNVPSYRTANFLDPKGR +GLASGYDSAIALPQAKEEELARANVKRFSLTKGQISLNVAKVDGRTGEIAGTFESEQLSDDDMGAHEPHEVKIQGVFYAS +IEPA +; +O,o ? +14 'polypeptide(L)' no yes '(FME)ETITYVFIFACIIALFFFAIFFREPPRITKK' METITYVFIFACIIALFFFAIFFREPPRITKK T,t ? +15 'polypeptide(L)' no no +;ATASTEEELVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLE +HFTVTEVETALVEGGDRYNNGLYK +; +;ATASTEEELVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLE +HFTVTEVETALVEGGDRYNNGLYK +; +U,u ? +16 'polypeptide(L)' no no +;AELTPEVLTVPLNSEGKTITLTEKQYLEGKRLFQYACASCHVGGITKTNPSLDLRTETLALATPPRDNIEGLVDYMKNPT +TYDGEQEIAEVHPSLRSADIFPKMRNLTEKDLVAIAGHILVEPKILGDKWGGGKVYY +; +;AELTPEVLTVPLNSEGKTITLTEKQYLEGKRLFQYACASCHVGGITKTNPSLDLRTETLALATPPRDNIEGLVDYMKNPT +TYDGEQEIAEVHPSLRSADIFPKMRNLTEKDLVAIAGHILVEPKILGDKWGGGKVYY +; +V,v ? +17 'polypeptide(L)' no no TITPSLKGFFIGLLSGAVVLGLTFAVLIAISQIDKVQRSL TITPSLKGFFIGLLSGAVVLGLTFAVLIAISQIDKVQRSL X,x ? +18 'polypeptide(L)' no no EVIAQLTMIAMIGIAGPMIIFLLAVRRGNL EVIAQLTMIAMIGIAGPMIIFLLAVRRGNL Y,y ? +19 'polypeptide(L)' no no MTILFQLALAALVILSFVMVIGVPVAYASPQDWDRSKQLIFLGSGLWIALVLVVGVLNFFVV +MTILFQLALAALVILSFVMVIGVPVAYASPQDWDRSKQLIFLGSGLWIALVLVVGVLNFFVV Z,z ? +20 'polypeptide(L)' no no DWRVLVVLLPVLLAAGWAVRNILPYAVKQVQKLL DWRVLVVLLPVLLAAGWAVRNILPYAVKQVQKLL R ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +21 'FE (II) ION' FE2 +22 'CHLORIDE ION' CL +23 'CHLOROPHYLL A' CLA +24 'PHEOPHYTIN A' PHO +25 BETA-CAROTENE BCR +26 '1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL' SQD +27 GLYCEROL GOL +28 'CA-MN4-O5 CLUSTER' OEX +29 +;2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE +; +PL9 +30 'UNKNOWN LIGAND' UNL +31 DODECYL-BETA-D-MALTOSIDE LMT +32 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE LHG +33 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE LMG +34 'heptyl 1-thio-beta-D-glucopyranoside' HTG +35 'DIGALACTOSYL DIACYL GLYCEROL (DGDG)' DGD +36 'CALCIUM ION' CA +37 'BICARBONATE ION' BCT +38 'PROTOPORPHYRIN IX CONTAINING FE' HEM +39 'MAGNESIUM ION' MG +40 'HEME C' HEC +41 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 THR n +1 3 THR n +1 4 THR n +1 5 LEU n +1 6 GLN n +1 7 ARG n +1 8 ARG n +1 9 GLU n +1 10 SER n +1 11 ALA n +1 12 ASN n +1 13 LEU n +1 14 TRP n +1 15 GLU n +1 16 ARG n +1 17 PHE n +1 18 CYS n +1 19 ASN n +1 20 TRP n +1 21 VAL n +1 22 THR n +1 23 SER n +1 24 THR n +1 25 ASP n +1 26 ASN n +1 27 ARG n +1 28 LEU n +1 29 TYR n +1 30 VAL n +1 31 GLY n +1 32 TRP n +1 33 PHE n +1 34 GLY n +1 35 VAL n +1 36 ILE n +1 37 MET n +1 38 ILE n +1 39 PRO n +1 40 THR n +1 41 LEU n +1 42 LEU n +1 43 ALA n +1 44 ALA n +1 45 THR n +1 46 ILE n +1 47 CYS n +1 48 PHE n +1 49 VAL n +1 50 ILE n +1 51 ALA n +1 52 PHE n +1 53 ILE n +1 54 ALA n +1 55 ALA n +1 56 PRO n +1 57 PRO n +1 58 VAL n +1 59 ASP n +1 60 ILE n +1 61 ASP n +1 62 GLY n +1 63 ILE n +1 64 ARG n +1 65 GLU n +1 66 PRO n +1 67 VAL n +1 68 SER n +1 69 GLY n +1 70 SER n +1 71 LEU n +1 72 LEU n +1 73 TYR n +1 74 GLY n +1 75 ASN n +1 76 ASN n +1 77 ILE n +1 78 ILE n +1 79 THR n +1 80 GLY n +1 81 ALA n +1 82 VAL n +1 83 VAL n +1 84 PRO n +1 85 SER n +1 86 SER n +1 87 ASN n +1 88 ALA n +1 89 ILE n +1 90 GLY n +1 91 LEU n +1 92 HIS n +1 93 PHE n +1 94 TYR n +1 95 PRO n +1 96 ILE n +1 97 TRP n +1 98 GLU n +1 99 ALA n +1 100 ALA n +1 101 SER n +1 102 LEU n +1 103 ASP n +1 104 GLU n +1 105 TRP n +1 106 LEU n +1 107 TYR n +1 108 ASN n +1 109 GLY n +1 110 GLY n +1 111 PRO n +1 112 TYR n +1 113 GLN n +1 114 LEU n +1 115 ILE n +1 116 ILE n +1 117 PHE n +1 118 HIS n +1 119 PHE n +1 120 LEU n +1 121 LEU n +1 122 GLY n +1 123 ALA n +1 124 SER n +1 125 CYS n +1 126 TYR n +1 127 MET n +1 128 GLY n +1 129 ARG n +1 130 GLN n +1 131 TRP n +1 132 GLU n +1 133 LEU n +1 134 SER n +1 135 TYR n +1 136 ARG n +1 137 LEU n +1 138 GLY n +1 139 MET n +1 140 ARG n +1 141 PRO n +1 142 TRP n +1 143 ILE n +1 144 CYS n +1 145 VAL n +1 146 ALA n +1 147 TYR n +1 148 SER n +1 149 ALA n +1 150 PRO n +1 151 LEU n +1 152 ALA n +1 153 SER n +1 154 ALA n +1 155 PHE n +1 156 ALA n +1 157 VAL n +1 158 PHE n +1 159 LEU n +1 160 ILE n +1 161 TYR n +1 162 PRO n +1 163 ILE n +1 164 GLY n +1 165 GLN n +1 166 GLY n +1 167 SER n +1 168 PHE n +1 169 SER n +1 170 ASP n +1 171 GLY n +1 172 MET n +1 173 PRO n +1 174 LEU n +1 175 GLY n +1 176 ILE n +1 177 SER n +1 178 GLY n +1 179 THR n +1 180 PHE n +1 181 ASN n +1 182 PHE n +1 183 MET n +1 184 ILE n +1 185 VAL n +1 186 PHE n +1 187 GLN n +1 188 ALA n +1 189 GLU n +1 190 HIS n +1 191 ASN n +1 192 ILE n +1 193 LEU n +1 194 MET n +1 195 HIS n +1 196 PRO n +1 197 PHE n +1 198 HIS n +1 199 GLN n +1 200 LEU n +1 201 GLY n +1 202 VAL n +1 203 ALA n +1 204 GLY n +1 205 VAL n +1 206 PHE n +1 207 GLY n +1 208 GLY n +1 209 ALA n +1 210 LEU n +1 211 PHE n +1 212 CYS n +1 213 ALA n +1 214 MET n +1 215 HIS n +1 216 GLY n +1 217 SER n +1 218 LEU n +1 219 VAL n +1 220 THR n +1 221 SER n +1 222 SER n +1 223 LEU n +1 224 ILE n +1 225 ARG n +1 226 GLU n +1 227 THR n +1 228 THR n +1 229 GLU n +1 230 THR n +1 231 GLU n +1 232 SER n +1 233 ALA n +1 234 ASN n +1 235 TYR n +1 236 GLY n +1 237 TYR n +1 238 LYS n +1 239 PHE n +1 240 GLY n +1 241 GLN n +1 242 GLU n +1 243 GLU n +1 244 GLU n +1 245 THR n +1 246 TYR n +1 247 ASN n +1 248 ILE n +1 249 VAL n +1 250 ALA n +1 251 ALA n +1 252 HIS n +1 253 GLY n +1 254 TYR n +1 255 PHE n +1 256 GLY n +1 257 ARG n +1 258 LEU n +1 259 ILE n +1 260 PHE n +1 261 GLN n +1 262 TYR n +1 263 ALA n +1 264 SER n +1 265 PHE n +1 266 ASN n +1 267 ASN n +1 268 SER n +1 269 ARG n +1 270 SER n +1 271 LEU n +1 272 HIS n +1 273 PHE n +1 274 PHE n +1 275 LEU n +1 276 ALA n +1 277 ALA n +1 278 TRP n +1 279 PRO n +1 280 VAL n +1 281 VAL n +1 282 GLY n +1 283 VAL n +1 284 TRP n +1 285 PHE n +1 286 ALA n +1 287 ALA n +1 288 LEU n +1 289 GLY n +1 290 ILE n +1 291 SER n +1 292 THR n +1 293 MET n +1 294 ALA n +1 295 PHE n +1 296 ASN n +1 297 LEU n +1 298 ASN n +1 299 GLY n +1 300 PHE n +1 301 ASN n +1 302 PHE n +1 303 ASN n +1 304 HIS n +1 305 SER n +1 306 VAL n +1 307 ILE n +1 308 ASP n +1 309 ALA n +1 310 LYS n +1 311 GLY n +1 312 ASN n +1 313 VAL n +1 314 ILE n +1 315 ASN n +1 316 THR n +1 317 TRP n +1 318 ALA n +1 319 ASP n +1 320 ILE n +1 321 ILE n +1 322 ASN n +1 323 ARG n +1 324 ALA n +1 325 ASN n +1 326 LEU n +1 327 GLY n +1 328 MET n +1 329 GLU n +1 330 VAL n +1 331 MET n +1 332 HIS n +1 333 GLU n +1 334 ARG n +1 335 ASN n +1 336 ALA n +1 337 HIS n +1 338 ASN n +1 339 PHE n +1 340 PRO n +1 341 LEU n +1 342 ASP n +1 343 LEU n +1 344 ALA n +2 1 GLY n +2 2 LEU n +2 3 PRO n +2 4 TRP n +2 5 TYR n +2 6 ARG n +2 7 VAL n +2 8 HIS n +2 9 THR n +2 10 VAL n +2 11 LEU n +2 12 ILE n +2 13 ASN n +2 14 ASP n +2 15 PRO n +2 16 GLY n +2 17 ARG n +2 18 LEU n +2 19 ILE n +2 20 ALA n +2 21 ALA n +2 22 HIS n +2 23 LEU n +2 24 MET n +2 25 HIS n +2 26 THR n +2 27 ALA n +2 28 LEU n +2 29 VAL n +2 30 ALA n +2 31 GLY n +2 32 TRP n +2 33 ALA n +2 34 GLY n +2 35 SER n +2 36 MET n +2 37 ALA n +2 38 LEU n +2 39 TYR n +2 40 GLU n +2 41 LEU n +2 42 ALA n +2 43 THR n +2 44 PHE n +2 45 ASP n +2 46 PRO n +2 47 SER n +2 48 ASP n +2 49 PRO n +2 50 VAL n +2 51 LEU n +2 52 ASN n +2 53 PRO n +2 54 MET n +2 55 TRP n +2 56 ARG n +2 57 GLN n +2 58 GLY n +2 59 MET n +2 60 PHE n +2 61 VAL n +2 62 LEU n +2 63 PRO n +2 64 PHE n +2 65 MET n +2 66 ALA n +2 67 ARG n +2 68 LEU n +2 69 GLY n +2 70 VAL n +2 71 THR n +2 72 GLY n +2 73 SER n +2 74 TRP n +2 75 SER n +2 76 GLY n +2 77 TRP n +2 78 SER n +2 79 ILE n +2 80 THR n +2 81 GLY n +2 82 GLU n +2 83 THR n +2 84 GLY n +2 85 ILE n +2 86 ASP n +2 87 PRO n +2 88 GLY n +2 89 PHE n +2 90 TRP n +2 91 SER n +2 92 PHE n +2 93 GLU n +2 94 GLY n +2 95 VAL n +2 96 ALA n +2 97 LEU n +2 98 ALA n +2 99 HIS n +2 100 ILE n +2 101 VAL n +2 102 LEU n +2 103 SER n +2 104 GLY n +2 105 LEU n +2 106 LEU n +2 107 PHE n +2 108 LEU n +2 109 ALA n +2 110 ALA n +2 111 CYS n +2 112 TRP n +2 113 HIS n +2 114 TRP n +2 115 VAL n +2 116 TYR n +2 117 TRP n +2 118 ASP n +2 119 LEU n +2 120 GLU n +2 121 LEU n +2 122 PHE n +2 123 ARG n +2 124 ASP n +2 125 PRO n +2 126 ARG n +2 127 THR n +2 128 GLY n +2 129 GLU n +2 130 PRO n +2 131 ALA n +2 132 LEU n +2 133 ASP n +2 134 LEU n +2 135 PRO n +2 136 LYS n +2 137 MET n +2 138 PHE n +2 139 GLY n +2 140 ILE n +2 141 HIS n +2 142 LEU n +2 143 PHE n +2 144 LEU n +2 145 ALA n +2 146 GLY n +2 147 LEU n +2 148 LEU n +2 149 CYS n +2 150 PHE n +2 151 GLY n +2 152 PHE n +2 153 GLY n +2 154 ALA n +2 155 PHE n +2 156 HIS n +2 157 LEU n +2 158 THR n +2 159 GLY n +2 160 LEU n +2 161 PHE n +2 162 GLY n +2 163 PRO n +2 164 GLY n +2 165 MET n +2 166 TRP n +2 167 VAL n +2 168 SER n +2 169 ASP n +2 170 PRO n +2 171 TYR n +2 172 GLY n +2 173 LEU n +2 174 THR n +2 175 GLY n +2 176 SER n +2 177 VAL n +2 178 GLN n +2 179 PRO n +2 180 VAL n +2 181 ALA n +2 182 PRO n +2 183 GLU n +2 184 TRP n +2 185 GLY n +2 186 PRO n +2 187 ASP n +2 188 GLY n +2 189 PHE n +2 190 ASN n +2 191 PRO n +2 192 TYR n +2 193 ASN n +2 194 PRO n +2 195 GLY n +2 196 GLY n +2 197 VAL n +2 198 VAL n +2 199 ALA n +2 200 HIS n +2 201 HIS n +2 202 ILE n +2 203 ALA n +2 204 ALA n +2 205 GLY n +2 206 ILE n +2 207 VAL n +2 208 GLY n +2 209 ILE n +2 210 ILE n +2 211 ALA n +2 212 GLY n +2 213 LEU n +2 214 PHE n +2 215 HIS n +2 216 ILE n +2 217 LEU n +2 218 VAL n +2 219 ARG n +2 220 PRO n +2 221 PRO n +2 222 GLN n +2 223 ARG n +2 224 LEU n +2 225 TYR n +2 226 LYS n +2 227 ALA n +2 228 LEU n +2 229 ARG n +2 230 MET n +2 231 GLY n +2 232 ASN n +2 233 ILE n +2 234 GLU n +2 235 THR n +2 236 VAL n +2 237 LEU n +2 238 SER n +2 239 SER n +2 240 SER n +2 241 ILE n +2 242 ALA n +2 243 ALA n +2 244 VAL n +2 245 PHE n +2 246 PHE n +2 247 ALA n +2 248 ALA n +2 249 PHE n +2 250 VAL n +2 251 VAL n +2 252 ALA n +2 253 GLY n +2 254 THR n +2 255 MET n +2 256 TRP n +2 257 TYR n +2 258 GLY n +2 259 SER n +2 260 ALA n +2 261 THR n +2 262 THR n +2 263 PRO n +2 264 ILE n +2 265 GLU n +2 266 LEU n +2 267 PHE n +2 268 GLY n +2 269 PRO n +2 270 THR n +2 271 ARG n +2 272 TYR n +2 273 GLN n +2 274 TRP n +2 275 ASP n +2 276 SER n +2 277 SER n +2 278 TYR n +2 279 PHE n +2 280 GLN n +2 281 GLN n +2 282 GLU n +2 283 ILE n +2 284 ASN n +2 285 ARG n +2 286 ARG n +2 287 VAL n +2 288 GLN n +2 289 ALA n +2 290 SER n +2 291 LEU n +2 292 ALA n +2 293 SER n +2 294 GLY n +2 295 ALA n +2 296 THR n +2 297 LEU n +2 298 GLU n +2 299 GLU n +2 300 ALA n +2 301 TRP n +2 302 SER n +2 303 ALA n +2 304 ILE n +2 305 PRO n +2 306 GLU n +2 307 LYS n +2 308 LEU n +2 309 ALA n +2 310 PHE n +2 311 TYR n +2 312 ASP n +2 313 TYR n +2 314 ILE n +2 315 GLY n +2 316 ASN n +2 317 ASN n +2 318 PRO n +2 319 ALA n +2 320 LYS n +2 321 GLY n +2 322 GLY n +2 323 LEU n +2 324 PHE n +2 325 ARG n +2 326 THR n +2 327 GLY n +2 328 PRO n +2 329 MET n +2 330 ASN n +2 331 LYS n +2 332 GLY n +2 333 ASP n +2 334 GLY n +2 335 ILE n +2 336 ALA n +2 337 GLN n +2 338 ALA n +2 339 TRP n +2 340 LYS n +2 341 GLY n +2 342 HIS n +2 343 ALA n +2 344 VAL n +2 345 PHE n +2 346 ARG n +2 347 ASN n +2 348 LYS n +2 349 GLU n +2 350 GLY n +2 351 GLU n +2 352 GLU n +2 353 LEU n +2 354 PHE n +2 355 VAL n +2 356 ARG n +2 357 ARG n +2 358 MET n +2 359 PRO n +2 360 ALA n +2 361 PHE n +2 362 PHE n +2 363 GLU n +2 364 SER n +2 365 PHE n +2 366 PRO n +2 367 VAL n +2 368 ILE n +2 369 LEU n +2 370 THR n +2 371 ASP n +2 372 LYS n +2 373 ASN n +2 374 GLY n +2 375 VAL n +2 376 VAL n +2 377 LYS n +2 378 ALA n +2 379 ASP n +2 380 ILE n +2 381 PRO n +2 382 PHE n +2 383 ARG n +2 384 ARG n +2 385 ALA n +2 386 GLU n +2 387 SER n +2 388 LYS n +2 389 TYR n +2 390 SER n +2 391 PHE n +2 392 GLU n +2 393 GLN n +2 394 GLN n +2 395 GLY n +2 396 VAL n +2 397 THR n +2 398 VAL n +2 399 SER n +2 400 PHE n +2 401 TYR n +2 402 GLY n +2 403 GLY n +2 404 GLU n +2 405 LEU n +2 406 ASN n +2 407 GLY n +2 408 GLN n +2 409 THR n +2 410 PHE n +2 411 THR n +2 412 ASP n +2 413 PRO n +2 414 PRO n +2 415 THR n +2 416 VAL n +2 417 LYS n +2 418 SER n +2 419 TYR n +2 420 ALA n +2 421 ARG n +2 422 LYS n +2 423 ALA n +2 424 ILE n +2 425 PHE n +2 426 GLY n +2 427 GLU n +2 428 ILE n +2 429 PHE n +2 430 GLU n +2 431 PHE n +2 432 ASP n +2 433 THR n +2 434 GLU n +2 435 THR n +2 436 LEU n +2 437 ASN n +2 438 SER n +2 439 ASP n +2 440 GLY n +2 441 ILE n +2 442 PHE n +2 443 ARG n +2 444 THR n +2 445 SER n +2 446 PRO n +2 447 ARG n +2 448 GLY n +2 449 TRP n +2 450 PHE n +2 451 THR n +2 452 PHE n +2 453 ALA n +2 454 HIS n +2 455 ALA n +2 456 VAL n +2 457 PHE n +2 458 ALA n +2 459 LEU n +2 460 LEU n +2 461 PHE n +2 462 PHE n +2 463 PHE n +2 464 GLY n +2 465 HIS n +2 466 ILE n +2 467 TRP n +2 468 HIS n +2 469 GLY n +2 470 ALA n +2 471 ARG n +2 472 THR n +2 473 LEU n +2 474 PHE n +2 475 ARG n +2 476 ASP n +2 477 VAL n +2 478 PHE n +2 479 SER n +2 480 GLY n +2 481 ILE n +2 482 ASP n +2 483 PRO n +2 484 GLU n +2 485 LEU n +2 486 SER n +2 487 PRO n +2 488 GLU n +2 489 GLN n +2 490 VAL n +2 491 GLU n +2 492 TRP n +2 493 GLY n +2 494 PHE n +2 495 TYR n +2 496 GLN n +2 497 LYS n +2 498 VAL n +2 499 GLY n +2 500 ASP n +2 501 VAL n +2 502 THR n +2 503 THR n +2 504 ARG n +2 505 LYS n +3 1 ASN n +3 2 SER n +3 3 ILE n +3 4 PHE n +3 5 ALA n +3 6 THR n +3 7 ASN n +3 8 ARG n +3 9 ASP n +3 10 GLN n +3 11 GLU n +3 12 SER n +3 13 SER n +3 14 GLY n +3 15 PHE n +3 16 ALA n +3 17 TRP n +3 18 TRP n +3 19 ALA n +3 20 GLY n +3 21 ASN n +3 22 ALA n +3 23 ARG n +3 24 LEU n +3 25 ILE n +3 26 ASN n +3 27 LEU n +3 28 SER n +3 29 GLY n +3 30 LYS n +3 31 LEU n +3 32 LEU n +3 33 GLY n +3 34 ALA n +3 35 HIS n +3 36 VAL n +3 37 ALA n +3 38 HIS n +3 39 ALA n +3 40 GLY n +3 41 LEU n +3 42 ILE n +3 43 VAL n +3 44 PHE n +3 45 TRP n +3 46 ALA n +3 47 GLY n +3 48 ALA n +3 49 MET n +3 50 THR n +3 51 LEU n +3 52 PHE n +3 53 GLU n +3 54 LEU n +3 55 ALA n +3 56 HIS n +3 57 PHE n +3 58 ILE n +3 59 PRO n +3 60 GLU n +3 61 LYS n +3 62 PRO n +3 63 MET n +3 64 TYR n +3 65 GLU n +3 66 GLN n +3 67 GLY n +3 68 LEU n +3 69 ILE n +3 70 LEU n +3 71 ILE n +3 72 PRO n +3 73 HIS n +3 74 ILE n +3 75 ALA n +3 76 THR n +3 77 LEU n +3 78 GLY n +3 79 TRP n +3 80 GLY n +3 81 VAL n +3 82 GLY n +3 83 PRO n +3 84 GLY n +3 85 GLY n +3 86 GLU n +3 87 VAL n +3 88 VAL n +3 89 ASP n +3 90 THR n +3 91 PHE n +3 92 PRO n +3 93 PHE n +3 94 PHE n +3 95 VAL n +3 96 VAL n +3 97 GLY n +3 98 VAL n +3 99 VAL n +3 100 HIS n +3 101 LEU n +3 102 ILE n +3 103 SER n +3 104 SER n +3 105 ALA n +3 106 VAL n +3 107 LEU n +3 108 GLY n +3 109 PHE n +3 110 GLY n +3 111 GLY n +3 112 VAL n +3 113 TYR n +3 114 HIS n +3 115 ALA n +3 116 ILE n +3 117 ARG n +3 118 GLY n +3 119 PRO n +3 120 GLU n +3 121 THR n +3 122 LEU n +3 123 GLU n +3 124 GLU n +3 125 TYR n +3 126 SER n +3 127 SER n +3 128 PHE n +3 129 PHE n +3 130 GLY n +3 131 TYR n +3 132 ASP n +3 133 TRP n +3 134 LYS n +3 135 ASP n +3 136 LYS n +3 137 ASN n +3 138 LYS n +3 139 MET n +3 140 THR n +3 141 THR n +3 142 ILE n +3 143 LEU n +3 144 GLY n +3 145 PHE n +3 146 HIS n +3 147 LEU n +3 148 ILE n +3 149 VAL n +3 150 LEU n +3 151 GLY n +3 152 ILE n +3 153 GLY n +3 154 ALA n +3 155 LEU n +3 156 LEU n +3 157 LEU n +3 158 VAL n +3 159 ALA n +3 160 LYS n +3 161 ALA n +3 162 MET n +3 163 PHE n +3 164 PHE n +3 165 GLY n +3 166 GLY n +3 167 LEU n +3 168 TYR n +3 169 ASP n +3 170 THR n +3 171 TRP n +3 172 ALA n +3 173 PRO n +3 174 GLY n +3 175 GLY n +3 176 GLY n +3 177 ASP n +3 178 VAL n +3 179 ARG n +3 180 VAL n +3 181 ILE n +3 182 THR n +3 183 ASN n +3 184 PRO n +3 185 THR n +3 186 LEU n +3 187 ASP n +3 188 PRO n +3 189 ARG n +3 190 VAL n +3 191 ILE n +3 192 PHE n +3 193 GLY n +3 194 TYR n +3 195 LEU n +3 196 LEU n +3 197 LYS n +3 198 SER n +3 199 PRO n +3 200 PHE n +3 201 GLY n +3 202 GLY n +3 203 GLU n +3 204 GLY n +3 205 TRP n +3 206 ILE n +3 207 VAL n +3 208 SER n +3 209 VAL n +3 210 ASN n +3 211 ASN n +3 212 LEU n +3 213 GLU n +3 214 ASP n +3 215 VAL n +3 216 VAL n +3 217 GLY n +3 218 GLY n +3 219 HIS n +3 220 ILE n +3 221 TRP n +3 222 ILE n +3 223 GLY n +3 224 LEU n +3 225 ILE n +3 226 CYS n +3 227 ILE n +3 228 ALA n +3 229 GLY n +3 230 GLY n +3 231 ILE n +3 232 TRP n +3 233 HIS n +3 234 ILE n +3 235 LEU n +3 236 THR n +3 237 THR n +3 238 PRO n +3 239 PHE n +3 240 GLY n +3 241 TRP n +3 242 ALA n +3 243 ARG n +3 244 ARG n +3 245 ALA n +3 246 PHE n +3 247 ILE n +3 248 TRP n +3 249 SER n +3 250 GLY n +3 251 GLU n +3 252 ALA n +3 253 TYR n +3 254 LEU n +3 255 SER n +3 256 TYR n +3 257 SER n +3 258 LEU n +3 259 GLY n +3 260 ALA n +3 261 LEU n +3 262 SER n +3 263 MET n +3 264 MET n +3 265 GLY n +3 266 PHE n +3 267 ILE n +3 268 ALA n +3 269 THR n +3 270 CYS n +3 271 PHE n +3 272 VAL n +3 273 TRP n +3 274 PHE n +3 275 ASN n +3 276 ASN n +3 277 THR n +3 278 VAL n +3 279 TYR n +3 280 PRO n +3 281 SER n +3 282 GLU n +3 283 PHE n +3 284 TYR n +3 285 GLY n +3 286 PRO n +3 287 THR n +3 288 GLY n +3 289 PRO n +3 290 GLU n +3 291 ALA n +3 292 SER n +3 293 GLN n +3 294 ALA n +3 295 GLN n +3 296 ALA n +3 297 MET n +3 298 THR n +3 299 PHE n +3 300 LEU n +3 301 ILE n +3 302 ARG n +3 303 ASP n +3 304 GLN n +3 305 LYS n +3 306 LEU n +3 307 GLY n +3 308 ALA n +3 309 ASN n +3 310 VAL n +3 311 GLY n +3 312 SER n +3 313 ALA n +3 314 GLN n +3 315 GLY n +3 316 PRO n +3 317 THR n +3 318 GLY n +3 319 LEU n +3 320 GLY n +3 321 LYS n +3 322 TYR n +3 323 LEU n +3 324 MET n +3 325 ARG n +3 326 SER n +3 327 PRO n +3 328 THR n +3 329 GLY n +3 330 GLU n +3 331 ILE n +3 332 ILE n +3 333 PHE n +3 334 GLY n +3 335 GLY n +3 336 GLU n +3 337 THR n +3 338 MET n +3 339 ARG n +3 340 PHE n +3 341 TRP n +3 342 ASP n +3 343 PHE n +3 344 ARG n +3 345 GLY n +3 346 PRO n +3 347 TRP n +3 348 LEU n +3 349 GLU n +3 350 PRO n +3 351 LEU n +3 352 ARG n +3 353 GLY n +3 354 PRO n +3 355 ASN n +3 356 GLY n +3 357 LEU n +3 358 ASP n +3 359 LEU n +3 360 ASN n +3 361 LYS n +3 362 ILE n +3 363 LYS n +3 364 ASN n +3 365 ASP n +3 366 ILE n +3 367 GLN n +3 368 PRO n +3 369 TRP n +3 370 GLN n +3 371 GLU n +3 372 ARG n +3 373 ARG n +3 374 ALA n +3 375 ALA n +3 376 GLU n +3 377 TYR n +3 378 MET n +3 379 THR n +3 380 HIS n +3 381 ALA n +3 382 PRO n +3 383 LEU n +3 384 GLY n +3 385 SER n +3 386 LEU n +3 387 ASN n +3 388 SER n +3 389 VAL n +3 390 GLY n +3 391 GLY n +3 392 VAL n +3 393 ALA n +3 394 THR n +3 395 GLU n +3 396 ILE n +3 397 ASN n +3 398 SER n +3 399 VAL n +3 400 ASN n +3 401 PHE n +3 402 VAL n +3 403 SER n +3 404 PRO n +3 405 ARG n +3 406 SER n +3 407 TRP n +3 408 LEU n +3 409 ALA n +3 410 THR n +3 411 SER n +3 412 HIS n +3 413 PHE n +3 414 VAL n +3 415 LEU n +3 416 ALA n +3 417 PHE n +3 418 PHE n +3 419 PHE n +3 420 LEU n +3 421 VAL n +3 422 GLY n +3 423 HIS n +3 424 LEU n +3 425 TRP n +3 426 HIS n +3 427 ALA n +3 428 GLY n +3 429 ARG n +3 430 ALA n +3 431 ARG n +3 432 ALA n +3 433 ALA n +3 434 ALA n +3 435 ALA n +3 436 GLY n +3 437 PHE n +3 438 GLU n +3 439 LYS n +3 440 GLY n +3 441 ILE n +3 442 ASP n +3 443 ARG n +3 444 GLU n +3 445 SER n +3 446 GLU n +3 447 PRO n +3 448 VAL n +3 449 LEU n +3 450 SER n +3 451 MET n +3 452 PRO n +3 453 SER n +3 454 LEU n +3 455 ASP n +4 1 GLU n +4 2 ARG n +4 3 GLY n +4 4 TRP n +4 5 PHE n +4 6 ASP n +4 7 ILE n +4 8 LEU n +4 9 ASP n +4 10 ASP n +4 11 TRP n +4 12 LEU n +4 13 LYS n +4 14 ARG n +4 15 ASP n +4 16 ARG n +4 17 PHE n +4 18 VAL n +4 19 PHE n +4 20 VAL n +4 21 GLY n +4 22 TRP n +4 23 SER n +4 24 GLY n +4 25 ILE n +4 26 LEU n +4 27 LEU n +4 28 PHE n +4 29 PRO n +4 30 CYS n +4 31 ALA n +4 32 TYR n +4 33 LEU n +4 34 ALA n +4 35 LEU n +4 36 GLY n +4 37 GLY n +4 38 TRP n +4 39 LEU n +4 40 THR n +4 41 GLY n +4 42 THR n +4 43 THR n +4 44 PHE n +4 45 VAL n +4 46 THR n +4 47 SER n +4 48 TRP n +4 49 TYR n +4 50 THR n +4 51 HIS n +4 52 GLY n +4 53 LEU n +4 54 ALA n +4 55 SER n +4 56 SER n +4 57 TYR n +4 58 LEU n +4 59 GLU n +4 60 GLY n +4 61 CYS n +4 62 ASN n +4 63 PHE n +4 64 LEU n +4 65 THR n +4 66 VAL n +4 67 ALA n +4 68 VAL n +4 69 SER n +4 70 THR n +4 71 PRO n +4 72 ALA n +4 73 ASN n +4 74 SER n +4 75 MET n +4 76 GLY n +4 77 HIS n +4 78 SER n +4 79 LEU n +4 80 LEU n +4 81 LEU n +4 82 LEU n +4 83 TRP n +4 84 GLY n +4 85 PRO n +4 86 GLU n +4 87 ALA n +4 88 GLN n +4 89 GLY n +4 90 ASP n +4 91 PHE n +4 92 THR n +4 93 ARG n +4 94 TRP n +4 95 CYS n +4 96 GLN n +4 97 LEU n +4 98 GLY n +4 99 GLY n +4 100 LEU n +4 101 TRP n +4 102 THR n +4 103 PHE n +4 104 ILE n +4 105 ALA n +4 106 LEU n +4 107 HIS n +4 108 GLY n +4 109 ALA n +4 110 PHE n +4 111 GLY n +4 112 LEU n +4 113 ILE n +4 114 GLY n +4 115 PHE n +4 116 MET n +4 117 LEU n +4 118 ARG n +4 119 GLN n +4 120 PHE n +4 121 GLU n +4 122 ILE n +4 123 ALA n +4 124 ARG n +4 125 LEU n +4 126 VAL n +4 127 GLY n +4 128 VAL n +4 129 ARG n +4 130 PRO n +4 131 TYR n +4 132 ASN n +4 133 ALA n +4 134 ILE n +4 135 ALA n +4 136 PHE n +4 137 SER n +4 138 ALA n +4 139 PRO n +4 140 ILE n +4 141 ALA n +4 142 VAL n +4 143 PHE n +4 144 VAL n +4 145 SER n +4 146 VAL n +4 147 PHE n +4 148 LEU n +4 149 ILE n +4 150 TYR n +4 151 PRO n +4 152 LEU n +4 153 GLY n +4 154 GLN n +4 155 SER n +4 156 SER n +4 157 TRP n +4 158 PHE n +4 159 PHE n +4 160 ALA n +4 161 PRO n +4 162 SER n +4 163 PHE n +4 164 GLY n +4 165 VAL n +4 166 ALA n +4 167 ALA n +4 168 ILE n +4 169 PHE n +4 170 ARG n +4 171 PHE n +4 172 LEU n +4 173 LEU n +4 174 PHE n +4 175 PHE n +4 176 GLN n +4 177 GLY n +4 178 PHE n +4 179 HIS n +4 180 ASN n +4 181 TRP n +4 182 THR n +4 183 LEU n +4 184 ASN n +4 185 PRO n +4 186 PHE n +4 187 HIS n +4 188 MET n +4 189 MET n +4 190 GLY n +4 191 VAL n +4 192 ALA n +4 193 GLY n +4 194 VAL n +4 195 LEU n +4 196 GLY n +4 197 GLY n +4 198 ALA n +4 199 LEU n +4 200 LEU n +4 201 CYS n +4 202 ALA n +4 203 ILE n +4 204 HIS n +4 205 GLY n +4 206 ALA n +4 207 THR n +4 208 VAL n +4 209 GLU n +4 210 ASN n +4 211 THR n +4 212 LEU n +4 213 PHE n +4 214 GLN n +4 215 ASP n +4 216 GLY n +4 217 GLU n +4 218 GLY n +4 219 ALA n +4 220 SER n +4 221 THR n +4 222 PHE n +4 223 ARG n +4 224 ALA n +4 225 PHE n +4 226 ASN n +4 227 PRO n +4 228 THR n +4 229 GLN n +4 230 ALA n +4 231 GLU n +4 232 GLU n +4 233 THR n +4 234 TYR n +4 235 SER n +4 236 MET n +4 237 VAL n +4 238 THR n +4 239 ALA n +4 240 ASN n +4 241 ARG n +4 242 PHE n +4 243 TRP n +4 244 SER n +4 245 GLN n +4 246 ILE n +4 247 PHE n +4 248 GLY n +4 249 ILE n +4 250 ALA n +4 251 PHE n +4 252 SER n +4 253 ASN n +4 254 LYS n +4 255 ARG n +4 256 TRP n +4 257 LEU n +4 258 HIS n +4 259 PHE n +4 260 PHE n +4 261 MET n +4 262 LEU n +4 263 PHE n +4 264 VAL n +4 265 PRO n +4 266 VAL n +4 267 THR n +4 268 GLY n +4 269 LEU n +4 270 TRP n +4 271 MET n +4 272 SER n +4 273 ALA n +4 274 ILE n +4 275 GLY n +4 276 VAL n +4 277 VAL n +4 278 GLY n +4 279 LEU n +4 280 ALA n +4 281 LEU n +4 282 ASN n +4 283 LEU n +4 284 ARG n +4 285 SER n +4 286 TYR n +4 287 ASP n +4 288 PHE n +4 289 ILE n +4 290 SER n +4 291 GLN n +4 292 GLU n +4 293 ILE n +4 294 ARG n +4 295 ALA n +4 296 ALA n +4 297 GLU n +4 298 ASP n +4 299 PRO n +4 300 GLU n +4 301 PHE n +4 302 GLU n +4 303 THR n +4 304 PHE n +4 305 TYR n +4 306 THR n +4 307 LYS n +4 308 ASN n +4 309 LEU n +4 310 LEU n +4 311 LEU n +4 312 ASN n +4 313 GLU n +4 314 GLY n +4 315 ILE n +4 316 ARG n +4 317 ALA n +4 318 TRP n +4 319 MET n +4 320 ALA n +4 321 PRO n +4 322 GLN n +4 323 ASP n +4 324 GLN n +4 325 PRO n +4 326 HIS n +4 327 GLU n +4 328 ASN n +4 329 PHE n +4 330 VAL n +4 331 PHE n +4 332 PRO n +4 333 GLU n +4 334 GLU n +4 335 VAL n +4 336 LEU n +4 337 PRO n +4 338 ARG n +4 339 GLY n +4 340 ASN n +4 341 ALA n +4 342 LEU n +5 1 MET n +5 2 ALA n +5 3 GLY n +5 4 THR n +5 5 THR n +5 6 GLY n +5 7 GLU n +5 8 ARG n +5 9 PRO n +5 10 PHE n +5 11 SER n +5 12 ASP n +5 13 ILE n +5 14 ILE n +5 15 THR n +5 16 SER n +5 17 VAL n +5 18 ARG n +5 19 TYR n +5 20 TRP n +5 21 VAL n +5 22 ILE n +5 23 HIS n +5 24 SER n +5 25 ILE n +5 26 THR n +5 27 ILE n +5 28 PRO n +5 29 ALA n +5 30 LEU n +5 31 PHE n +5 32 ILE n +5 33 ALA n +5 34 GLY n +5 35 TRP n +5 36 LEU n +5 37 PHE n +5 38 VAL n +5 39 SER n +5 40 THR n +5 41 GLY n +5 42 LEU n +5 43 ALA n +5 44 TYR n +5 45 ASP n +5 46 VAL n +5 47 PHE n +5 48 GLY n +5 49 THR n +5 50 PRO n +5 51 ARG n +5 52 PRO n +5 53 ASP n +5 54 SER n +5 55 TYR n +5 56 TYR n +5 57 ALA n +5 58 GLN n +5 59 GLU n +5 60 GLN n +5 61 ARG n +5 62 SER n +5 63 ILE n +5 64 PRO n +5 65 LEU n +5 66 VAL n +5 67 THR n +5 68 ASP n +5 69 ARG n +5 70 PHE n +5 71 GLU n +5 72 ALA n +5 73 LYS n +5 74 GLN n +5 75 GLN n +5 76 VAL n +5 77 GLU n +5 78 THR n +5 79 PHE n +5 80 LEU n +5 81 GLU n +5 82 GLN n +5 83 LEU n +5 84 LYS n +6 1 THR n +6 2 SER n +6 3 ASN n +6 4 THR n +6 5 PRO n +6 6 ASN n +6 7 GLN n +6 8 GLU n +6 9 PRO n +6 10 VAL n +6 11 SER n +6 12 TYR n +6 13 PRO n +6 14 ILE n +6 15 PHE n +6 16 THR n +6 17 VAL n +6 18 ARG n +6 19 TRP n +6 20 VAL n +6 21 ALA n +6 22 VAL n +6 23 HIS n +6 24 THR n +6 25 LEU n +6 26 ALA n +6 27 VAL n +6 28 PRO n +6 29 THR n +6 30 ILE n +6 31 PHE n +6 32 PHE n +6 33 LEU n +6 34 GLY n +6 35 ALA n +6 36 ILE n +6 37 ALA n +6 38 ALA n +6 39 MET n +6 40 GLN n +6 41 PHE n +6 42 ILE n +6 43 GLN n +6 44 ARG n +7 1 ALA n +7 2 ARG n +7 3 ARG n +7 4 THR n +7 5 TRP n +7 6 LEU n +7 7 GLY n +7 8 ASP n +7 9 ILE n +7 10 LEU n +7 11 ARG n +7 12 PRO n +7 13 LEU n +7 14 ASN n +7 15 SER n +7 16 GLU n +7 17 TYR n +7 18 GLY n +7 19 LYS n +7 20 VAL n +7 21 ALA n +7 22 PRO n +7 23 GLY n +7 24 TRP n +7 25 GLY n +7 26 THR n +7 27 THR n +7 28 PRO n +7 29 LEU n +7 30 MET n +7 31 ALA n +7 32 VAL n +7 33 PHE n +7 34 MET n +7 35 GLY n +7 36 LEU n +7 37 PHE n +7 38 LEU n +7 39 VAL n +7 40 PHE n +7 41 LEU n +7 42 LEU n +7 43 ILE n +7 44 ILE n +7 45 LEU n +7 46 GLU n +7 47 ILE n +7 48 TYR n +7 49 ASN n +7 50 SER n +7 51 THR n +7 52 LEU n +7 53 ILE n +7 54 LEU n +7 55 ASP n +7 56 GLY n +7 57 VAL n +7 58 ASN n +7 59 VAL n +7 60 SER n +7 61 TRP n +7 62 LYS n +7 63 ALA n +7 64 LEU n +7 65 GLY n +8 1 FME n +8 2 GLU n +8 3 THR n +8 4 LEU n +8 5 LYS n +8 6 ILE n +8 7 THR n +8 8 VAL n +8 9 TYR n +8 10 ILE n +8 11 VAL n +8 12 VAL n +8 13 THR n +8 14 PHE n +8 15 PHE n +8 16 VAL n +8 17 LEU n +8 18 LEU n +8 19 PHE n +8 20 VAL n +8 21 PHE n +8 22 GLY n +8 23 PHE n +8 24 LEU n +8 25 SER n +8 26 GLY n +8 27 ASP n +8 28 PRO n +8 29 ALA n +8 30 ARG n +8 31 ASN n +8 32 PRO n +8 33 LYS n +8 34 ARG n +8 35 LYS n +8 36 ASP n +8 37 LEU n +8 38 GLU n +9 1 MET n +9 2 SER n +9 3 GLU n +9 4 GLY n +9 5 GLY n +9 6 ARG n +9 7 ILE n +9 8 PRO n +9 9 LEU n +9 10 TRP n +9 11 ILE n +9 12 VAL n +9 13 ALA n +9 14 THR n +9 15 VAL n +9 16 ALA n +9 17 GLY n +9 18 MET n +9 19 GLY n +9 20 VAL n +9 21 ILE n +9 22 VAL n +9 23 ILE n +9 24 VAL n +9 25 GLY n +9 26 LEU n +9 27 PHE n +9 28 PHE n +9 29 TYR n +9 30 GLY n +9 31 ALA n +9 32 TYR n +9 33 ALA n +9 34 GLY n +9 35 LEU n +9 36 GLY n +9 37 SER n +9 38 SER n +9 39 LEU n +10 1 LYS n +10 2 LEU n +10 3 PRO n +10 4 GLU n +10 5 ALA n +10 6 TYR n +10 7 ALA n +10 8 ILE n +10 9 PHE n +10 10 ASP n +10 11 PRO n +10 12 LEU n +10 13 VAL n +10 14 ASP n +10 15 VAL n +10 16 LEU n +10 17 PRO n +10 18 VAL n +10 19 ILE n +10 20 PRO n +10 21 VAL n +10 22 LEU n +10 23 PHE n +10 24 LEU n +10 25 ALA n +10 26 LEU n +10 27 ALA n +10 28 PHE n +10 29 VAL n +10 30 TRP n +10 31 GLN n +10 32 ALA n +10 33 ALA n +10 34 VAL n +10 35 GLY n +10 36 PHE n +10 37 ARG n +11 1 MET n +11 2 GLU n +11 3 PRO n +11 4 ASN n +11 5 PRO n +11 6 ASN n +11 7 ARG n +11 8 GLN n +11 9 PRO n +11 10 VAL n +11 11 GLU n +11 12 LEU n +11 13 ASN n +11 14 ARG n +11 15 THR n +11 16 SER n +11 17 LEU n +11 18 TYR n +11 19 LEU n +11 20 GLY n +11 21 LEU n +11 22 LEU n +11 23 LEU n +11 24 ILE n +11 25 LEU n +11 26 VAL n +11 27 LEU n +11 28 ALA n +11 29 LEU n +11 30 LEU n +11 31 PHE n +11 32 SER n +11 33 SER n +11 34 TYR n +11 35 PHE n +11 36 PHE n +11 37 ASN n +12 1 FME n +12 2 GLU n +12 3 VAL n +12 4 ASN n +12 5 GLN n +12 6 LEU n +12 7 GLY n +12 8 LEU n +12 9 ILE n +12 10 ALA n +12 11 THR n +12 12 ALA n +12 13 LEU n +12 14 PHE n +12 15 VAL n +12 16 LEU n +12 17 VAL n +12 18 PRO n +12 19 SER n +12 20 VAL n +12 21 PHE n +12 22 LEU n +12 23 ILE n +12 24 ILE n +12 25 LEU n +12 26 TYR n +12 27 VAL n +12 28 GLN n +12 29 THR n +12 30 GLU n +12 31 SER n +12 32 GLN n +12 33 GLN n +12 34 LYS n +12 35 SER n +12 36 SER n +13 1 GLN n +13 2 THR n +13 3 LEU n +13 4 THR n +13 5 TYR n +13 6 ASP n +13 7 ASP n +13 8 ILE n +13 9 VAL n +13 10 GLY n +13 11 THR n +13 12 GLY n +13 13 LEU n +13 14 ALA n +13 15 ASN n +13 16 LYS n +13 17 CYS n +13 18 PRO n +13 19 THR n +13 20 LEU n +13 21 ASP n +13 22 ASP n +13 23 THR n +13 24 ALA n +13 25 ARG n +13 26 GLY n +13 27 ALA n +13 28 TYR n +13 29 PRO n +13 30 ILE n +13 31 ASP n +13 32 SER n +13 33 SER n +13 34 GLN n +13 35 THR n +13 36 TYR n +13 37 ARG n +13 38 ILE n +13 39 ALA n +13 40 ARG n +13 41 LEU n +13 42 CYS n +13 43 LEU n +13 44 GLN n +13 45 PRO n +13 46 THR n +13 47 THR n +13 48 PHE n +13 49 LEU n +13 50 VAL n +13 51 LYS n +13 52 GLU n +13 53 GLU n +13 54 PRO n +13 55 LYS n +13 56 ASN n +13 57 LYS n +13 58 ARG n +13 59 GLN n +13 60 GLU n +13 61 ALA n +13 62 GLU n +13 63 PHE n +13 64 VAL n +13 65 PRO n +13 66 THR n +13 67 LYS n +13 68 LEU n +13 69 VAL n +13 70 THR n +13 71 ARG n +13 72 GLU n +13 73 THR n +13 74 THR n +13 75 SER n +13 76 LEU n +13 77 ASP n +13 78 GLN n +13 79 ILE n +13 80 GLN n +13 81 GLY n +13 82 GLU n +13 83 LEU n +13 84 LYS n +13 85 VAL n +13 86 ASN n +13 87 SER n +13 88 ASP n +13 89 GLY n +13 90 SER n +13 91 LEU n +13 92 THR n +13 93 PHE n +13 94 VAL n +13 95 GLU n +13 96 GLU n +13 97 ASP n +13 98 GLY n +13 99 ILE n +13 100 ASP n +13 101 PHE n +13 102 GLN n +13 103 PRO n +13 104 VAL n +13 105 THR n +13 106 VAL n +13 107 GLN n +13 108 MET n +13 109 ALA n +13 110 GLY n +13 111 GLY n +13 112 GLU n +13 113 ARG n +13 114 ILE n +13 115 PRO n +13 116 LEU n +13 117 LEU n +13 118 PHE n +13 119 THR n +13 120 VAL n +13 121 LYS n +13 122 ASN n +13 123 LEU n +13 124 VAL n +13 125 ALA n +13 126 SER n +13 127 THR n +13 128 GLN n +13 129 PRO n +13 130 ASN n +13 131 VAL n +13 132 THR n +13 133 SER n +13 134 ILE n +13 135 THR n +13 136 THR n +13 137 SER n +13 138 THR n +13 139 ASP n +13 140 PHE n +13 141 LYS n +13 142 GLY n +13 143 GLU n +13 144 PHE n +13 145 ASN n +13 146 VAL n +13 147 PRO n +13 148 SER n +13 149 TYR n +13 150 ARG n +13 151 THR n +13 152 ALA n +13 153 ASN n +13 154 PHE n +13 155 LEU n +13 156 ASP n +13 157 PRO n +13 158 LYS n +13 159 GLY n +13 160 ARG n +13 161 GLY n +13 162 LEU n +13 163 ALA n +13 164 SER n +13 165 GLY n +13 166 TYR n +13 167 ASP n +13 168 SER n +13 169 ALA n +13 170 ILE n +13 171 ALA n +13 172 LEU n +13 173 PRO n +13 174 GLN n +13 175 ALA n +13 176 LYS n +13 177 GLU n +13 178 GLU n +13 179 GLU n +13 180 LEU n +13 181 ALA n +13 182 ARG n +13 183 ALA n +13 184 ASN n +13 185 VAL n +13 186 LYS n +13 187 ARG n +13 188 PHE n +13 189 SER n +13 190 LEU n +13 191 THR n +13 192 LYS n +13 193 GLY n +13 194 GLN n +13 195 ILE n +13 196 SER n +13 197 LEU n +13 198 ASN n +13 199 VAL n +13 200 ALA n +13 201 LYS n +13 202 VAL n +13 203 ASP n +13 204 GLY n +13 205 ARG n +13 206 THR n +13 207 GLY n +13 208 GLU n +13 209 ILE n +13 210 ALA n +13 211 GLY n +13 212 THR n +13 213 PHE n +13 214 GLU n +13 215 SER n +13 216 GLU n +13 217 GLN n +13 218 LEU n +13 219 SER n +13 220 ASP n +13 221 ASP n +13 222 ASP n +13 223 MET n +13 224 GLY n +13 225 ALA n +13 226 HIS n +13 227 GLU n +13 228 PRO n +13 229 HIS n +13 230 GLU n +13 231 VAL n +13 232 LYS n +13 233 ILE n +13 234 GLN n +13 235 GLY n +13 236 VAL n +13 237 PHE n +13 238 TYR n +13 239 ALA n +13 240 SER n +13 241 ILE n +13 242 GLU n +13 243 PRO n +13 244 ALA n +14 1 FME n +14 2 GLU n +14 3 THR n +14 4 ILE n +14 5 THR n +14 6 TYR n +14 7 VAL n +14 8 PHE n +14 9 ILE n +14 10 PHE n +14 11 ALA n +14 12 CYS n +14 13 ILE n +14 14 ILE n +14 15 ALA n +14 16 LEU n +14 17 PHE n +14 18 PHE n +14 19 PHE n +14 20 ALA n +14 21 ILE n +14 22 PHE n +14 23 PHE n +14 24 ARG n +14 25 GLU n +14 26 PRO n +14 27 PRO n +14 28 ARG n +14 29 ILE n +14 30 THR n +14 31 LYS n +14 32 LYS n +15 1 ALA n +15 2 THR n +15 3 ALA n +15 4 SER n +15 5 THR n +15 6 GLU n +15 7 GLU n +15 8 GLU n +15 9 LEU n +15 10 VAL n +15 11 ASN n +15 12 VAL n +15 13 VAL n +15 14 ASP n +15 15 GLU n +15 16 LYS n +15 17 LEU n +15 18 GLY n +15 19 THR n +15 20 ALA n +15 21 TYR n +15 22 GLY n +15 23 GLU n +15 24 LYS n +15 25 ILE n +15 26 ASP n +15 27 LEU n +15 28 ASN n +15 29 ASN n +15 30 THR n +15 31 ASN n +15 32 ILE n +15 33 ALA n +15 34 ALA n +15 35 PHE n +15 36 ILE n +15 37 GLN n +15 38 TYR n +15 39 ARG n +15 40 GLY n +15 41 LEU n +15 42 TYR n +15 43 PRO n +15 44 THR n +15 45 LEU n +15 46 ALA n +15 47 LYS n +15 48 LEU n +15 49 ILE n +15 50 VAL n +15 51 LYS n +15 52 ASN n +15 53 ALA n +15 54 PRO n +15 55 TYR n +15 56 GLU n +15 57 SER n +15 58 VAL n +15 59 GLU n +15 60 ASP n +15 61 VAL n +15 62 LEU n +15 63 ASN n +15 64 ILE n +15 65 PRO n +15 66 GLY n +15 67 LEU n +15 68 THR n +15 69 GLU n +15 70 ARG n +15 71 GLN n +15 72 LYS n +15 73 GLN n +15 74 ILE n +15 75 LEU n +15 76 ARG n +15 77 GLU n +15 78 ASN n +15 79 LEU n +15 80 GLU n +15 81 HIS n +15 82 PHE n +15 83 THR n +15 84 VAL n +15 85 THR n +15 86 GLU n +15 87 VAL n +15 88 GLU n +15 89 THR n +15 90 ALA n +15 91 LEU n +15 92 VAL n +15 93 GLU n +15 94 GLY n +15 95 GLY n +15 96 ASP n +15 97 ARG n +15 98 TYR n +15 99 ASN n +15 100 ASN n +15 101 GLY n +15 102 LEU n +15 103 TYR n +15 104 LYS n +16 1 ALA n +16 2 GLU n +16 3 LEU n +16 4 THR n +16 5 PRO n +16 6 GLU n +16 7 VAL n +16 8 LEU n +16 9 THR n +16 10 VAL n +16 11 PRO n +16 12 LEU n +16 13 ASN n +16 14 SER n +16 15 GLU n +16 16 GLY n +16 17 LYS n +16 18 THR n +16 19 ILE n +16 20 THR n +16 21 LEU n +16 22 THR n +16 23 GLU n +16 24 LYS n +16 25 GLN n +16 26 TYR n +16 27 LEU n +16 28 GLU n +16 29 GLY n +16 30 LYS n +16 31 ARG n +16 32 LEU n +16 33 PHE n +16 34 GLN n +16 35 TYR n +16 36 ALA n +16 37 CYS n +16 38 ALA n +16 39 SER n +16 40 CYS n +16 41 HIS n +16 42 VAL n +16 43 GLY n +16 44 GLY n +16 45 ILE n +16 46 THR n +16 47 LYS n +16 48 THR n +16 49 ASN n +16 50 PRO n +16 51 SER n +16 52 LEU n +16 53 ASP n +16 54 LEU n +16 55 ARG n +16 56 THR n +16 57 GLU n +16 58 THR n +16 59 LEU n +16 60 ALA n +16 61 LEU n +16 62 ALA n +16 63 THR n +16 64 PRO n +16 65 PRO n +16 66 ARG n +16 67 ASP n +16 68 ASN n +16 69 ILE n +16 70 GLU n +16 71 GLY n +16 72 LEU n +16 73 VAL n +16 74 ASP n +16 75 TYR n +16 76 MET n +16 77 LYS n +16 78 ASN n +16 79 PRO n +16 80 THR n +16 81 THR n +16 82 TYR n +16 83 ASP n +16 84 GLY n +16 85 GLU n +16 86 GLN n +16 87 GLU n +16 88 ILE n +16 89 ALA n +16 90 GLU n +16 91 VAL n +16 92 HIS n +16 93 PRO n +16 94 SER n +16 95 LEU n +16 96 ARG n +16 97 SER n +16 98 ALA n +16 99 ASP n +16 100 ILE n +16 101 PHE n +16 102 PRO n +16 103 LYS n +16 104 MET n +16 105 ARG n +16 106 ASN n +16 107 LEU n +16 108 THR n +16 109 GLU n +16 110 LYS n +16 111 ASP n +16 112 LEU n +16 113 VAL n +16 114 ALA n +16 115 ILE n +16 116 ALA n +16 117 GLY n +16 118 HIS n +16 119 ILE n +16 120 LEU n +16 121 VAL n +16 122 GLU n +16 123 PRO n +16 124 LYS n +16 125 ILE n +16 126 LEU n +16 127 GLY n +16 128 ASP n +16 129 LYS n +16 130 TRP n +16 131 GLY n +16 132 GLY n +16 133 GLY n +16 134 LYS n +16 135 VAL n +16 136 TYR n +16 137 TYR n +17 1 THR n +17 2 ILE n +17 3 THR n +17 4 PRO n +17 5 SER n +17 6 LEU n +17 7 LYS n +17 8 GLY n +17 9 PHE n +17 10 PHE n +17 11 ILE n +17 12 GLY n +17 13 LEU n +17 14 LEU n +17 15 SER n +17 16 GLY n +17 17 ALA n +17 18 VAL n +17 19 VAL n +17 20 LEU n +17 21 GLY n +17 22 LEU n +17 23 THR n +17 24 PHE n +17 25 ALA n +17 26 VAL n +17 27 LEU n +17 28 ILE n +17 29 ALA n +17 30 ILE n +17 31 SER n +17 32 GLN n +17 33 ILE n +17 34 ASP n +17 35 LYS n +17 36 VAL n +17 37 GLN n +17 38 ARG n +17 39 SER n +17 40 LEU n +18 1 GLU n +18 2 VAL n +18 3 ILE n +18 4 ALA n +18 5 GLN n +18 6 LEU n +18 7 THR n +18 8 MET n +18 9 ILE n +18 10 ALA n +18 11 MET n +18 12 ILE n +18 13 GLY n +18 14 ILE n +18 15 ALA n +18 16 GLY n +18 17 PRO n +18 18 MET n +18 19 ILE n +18 20 ILE n +18 21 PHE n +18 22 LEU n +18 23 LEU n +18 24 ALA n +18 25 VAL n +18 26 ARG n +18 27 ARG n +18 28 GLY n +18 29 ASN n +18 30 LEU n +19 1 MET n +19 2 THR n +19 3 ILE n +19 4 LEU n +19 5 PHE n +19 6 GLN n +19 7 LEU n +19 8 ALA n +19 9 LEU n +19 10 ALA n +19 11 ALA n +19 12 LEU n +19 13 VAL n +19 14 ILE n +19 15 LEU n +19 16 SER n +19 17 PHE n +19 18 VAL n +19 19 MET n +19 20 VAL n +19 21 ILE n +19 22 GLY n +19 23 VAL n +19 24 PRO n +19 25 VAL n +19 26 ALA n +19 27 TYR n +19 28 ALA n +19 29 SER n +19 30 PRO n +19 31 GLN n +19 32 ASP n +19 33 TRP n +19 34 ASP n +19 35 ARG n +19 36 SER n +19 37 LYS n +19 38 GLN n +19 39 LEU n +19 40 ILE n +19 41 PHE n +19 42 LEU n +19 43 GLY n +19 44 SER n +19 45 GLY n +19 46 LEU n +19 47 TRP n +19 48 ILE n +19 49 ALA n +19 50 LEU n +19 51 VAL n +19 52 LEU n +19 53 VAL n +19 54 VAL n +19 55 GLY n +19 56 VAL n +19 57 LEU n +19 58 ASN n +19 59 PHE n +19 60 PHE n +19 61 VAL n +19 62 VAL n +20 1 ASP n +20 2 TRP n +20 3 ARG n +20 4 VAL n +20 5 LEU n +20 6 VAL n +20 7 VAL n +20 8 LEU n +20 9 LEU n +20 10 PRO n +20 11 VAL n +20 12 LEU n +20 13 LEU n +20 14 ALA n +20 15 ALA n +20 16 GLY n +20 17 TRP n +20 18 ALA n +20 19 VAL n +20 20 ARG n +20 21 ASN n +20 22 ILE n +20 23 LEU n +20 24 PRO n +20 25 TYR n +20 26 ALA n +20 27 VAL n +20 28 LYS n +20 29 GLN n +20 30 VAL n +20 31 GLN n +20 32 LYS n +20 33 LEU n +20 34 LEU n +# +loop_ +_entity_src_gen.entity_id +_entity_src_gen.pdbx_src_id +_entity_src_gen.pdbx_alt_source_flag +_entity_src_gen.pdbx_seq_type +_entity_src_gen.pdbx_beg_seq_num +_entity_src_gen.pdbx_end_seq_num +_entity_src_gen.gene_src_common_name +_entity_src_gen.gene_src_genus +_entity_src_gen.pdbx_gene_src_gene +_entity_src_gen.gene_src_species +_entity_src_gen.gene_src_strain +_entity_src_gen.gene_src_tissue +_entity_src_gen.gene_src_tissue_fraction +_entity_src_gen.gene_src_details +_entity_src_gen.pdbx_gene_src_fragment +_entity_src_gen.pdbx_gene_src_scientific_name +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id +_entity_src_gen.pdbx_gene_src_variant +_entity_src_gen.pdbx_gene_src_cell_line +_entity_src_gen.pdbx_gene_src_atcc +_entity_src_gen.pdbx_gene_src_organ +_entity_src_gen.pdbx_gene_src_organelle +_entity_src_gen.pdbx_gene_src_cell +_entity_src_gen.pdbx_gene_src_cellular_location +_entity_src_gen.host_org_common_name +_entity_src_gen.pdbx_host_org_scientific_name +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id +_entity_src_gen.host_org_genus +_entity_src_gen.pdbx_host_org_gene +_entity_src_gen.pdbx_host_org_organ +_entity_src_gen.host_org_species +_entity_src_gen.pdbx_host_org_tissue +_entity_src_gen.pdbx_host_org_tissue_fraction +_entity_src_gen.pdbx_host_org_strain +_entity_src_gen.pdbx_host_org_variant +_entity_src_gen.pdbx_host_org_cell_line +_entity_src_gen.pdbx_host_org_atcc +_entity_src_gen.pdbx_host_org_culture_collection +_entity_src_gen.pdbx_host_org_cell +_entity_src_gen.pdbx_host_org_organelle +_entity_src_gen.pdbx_host_org_cellular_location +_entity_src_gen.pdbx_host_org_vector_type +_entity_src_gen.pdbx_host_org_vector +_entity_src_gen.host_org_details +_entity_src_gen.expression_system_id +_entity_src_gen.plasmid_name +_entity_src_gen.plasmid_details +_entity_src_gen.pdbx_description +1 1 sample 'Biological sequence' 1 344 ? ? 'psbA, psbA-1' ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +2 1 sample 'Biological sequence' 1 505 ? ? psbB ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +3 1 sample 'Biological sequence' 1 455 ? ? psbC ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +4 1 sample 'Biological sequence' 1 342 ? ? psbD ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +5 1 sample 'Biological sequence' 1 84 ? ? psbE ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +6 1 sample 'Biological sequence' 1 44 ? ? psbF ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +7 1 sample 'Biological sequence' 1 65 ? ? psbH ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +8 1 sample 'Biological sequence' 1 38 ? ? psbI ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +9 1 sample 'Biological sequence' 1 39 ? ? psbJ ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +10 1 sample 'Biological sequence' 1 37 ? ? psbK ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +11 1 sample 'Biological sequence' 1 37 ? ? psbL ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +12 1 sample 'Biological sequence' 1 36 ? ? psbM ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +13 1 sample 'Biological sequence' 1 244 ? ? psbO ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +14 1 sample 'Biological sequence' 1 32 ? ? psbT ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +15 1 sample 'Biological sequence' 1 104 ? ? psbU ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +16 1 sample 'Biological sequence' 1 137 ? ? psbV ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +17 1 sample 'Biological sequence' 1 40 ? ? psbX ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +18 1 sample 'Biological sequence' 1 30 ? ? 'ycf12, psbY' ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +19 1 sample 'Biological sequence' 1 62 ? ? psbZ ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +20 1 sample 'Biological sequence' 1 34 ? ? psbY ? ? ? ? ? ? 'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? +'Thermostichus vulcanus' 32053 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +BCR non-polymer . BETA-CAROTENE ? 'C40 H56' 536.873 +BCT non-polymer . 'BICARBONATE ION' ? 'C H O3 -1' 61.017 +CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 +CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 +CLA non-polymer . 'CHLOROPHYLL A' ? 'C55 H72 Mg N4 O5' 893.489 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +DGD saccharide . 'DIGALACTOSYL DIACYL GLYCEROL (DGDG)' ? 'C51 H96 O15' 949.299 +FE2 non-polymer . 'FE (II) ION' ? 'Fe 2' 55.845 +FME 'L-peptide linking' n N-FORMYLMETHIONINE ? 'C6 H11 N O3 S' 177.221 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 +HEC non-polymer . 'HEME C' ? 'C34 H34 Fe N4 O4' 618.503 +HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +HTG D-saccharide . 'heptyl 1-thio-beta-D-glucopyranoside' +'HEPTYL 1-THIOHEXOPYRANOSIDE; heptyl 1-thio-beta-D-glucoside; heptyl 1-thio-D-glucoside; heptyl 1-thio-glucoside' 'C13 H26 O5 S' +294.408 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LHG non-polymer . 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE ? 'C38 H75 O10 P' 722.970 +LMG non-polymer . 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE ? 'C45 H86 O10' 787.158 +LMT D-saccharide . DODECYL-BETA-D-MALTOSIDE ? 'C24 H46 O11' 510.615 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +MG non-polymer . 'MAGNESIUM ION' ? 'Mg 2' 24.305 +OEX non-polymer . 'CA-MN4-O5 CLUSTER' ? 'Ca Mn4 O5' 339.827 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PHO non-polymer . 'PHEOPHYTIN A' ? 'C55 H74 N4 O5' 871.200 +PL9 non-polymer . +;2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE +; +'PLASTOQUINONE 9' 'C53 H80 O2' +749.201 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +SQD non-polymer . '1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL' SULFOQUINOVOSYLDIACYLGLYCEROL +'C41 H78 O12 S' 795.116 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +UNL non-polymer . 'UNKNOWN LIGAND' ? ? ? +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 ? ? ? A . n +A 1 2 THR 2 2 ? ? ? A . n +A 1 3 THR 3 3 ? ? ? A . n +A 1 4 THR 4 4 ? ? ? A . n +A 1 5 LEU 5 5 ? ? ? A . n +A 1 6 GLN 6 6 ? ? ? A . n +A 1 7 ARG 7 7 ? ? ? A . n +A 1 8 ARG 8 8 ? ? ? A . n +A 1 9 GLU 9 9 ? ? ? A . n +A 1 10 SER 10 10 ? ? ? A . n +A 1 11 ALA 11 11 11 ALA ALA A . n +A 1 12 ASN 12 12 12 ASN ASN A . n +A 1 13 LEU 13 13 13 LEU LEU A . n +A 1 14 TRP 14 14 14 TRP TRP A . n +A 1 15 GLU 15 15 15 GLU GLU A . n +A 1 16 ARG 16 16 16 ARG ARG A . n +A 1 17 PHE 17 17 17 PHE PHE A . n +A 1 18 CYS 18 18 18 CYS CYS A . n +A 1 19 ASN 19 19 19 ASN ASN A . n +A 1 20 TRP 20 20 20 TRP TRP A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 THR 22 22 22 THR THR A . n +A 1 23 SER 23 23 23 SER SER A . n +A 1 24 THR 24 24 24 THR THR A . n +A 1 25 ASP 25 25 25 ASP ASP A . n +A 1 26 ASN 26 26 26 ASN ASN A . n +A 1 27 ARG 27 27 27 ARG ARG A . n +A 1 28 LEU 28 28 28 LEU LEU A . n +A 1 29 TYR 29 29 29 TYR TYR A . n +A 1 30 VAL 30 30 30 VAL VAL A . n +A 1 31 GLY 31 31 31 GLY GLY A . n +A 1 32 TRP 32 32 32 TRP TRP A . n +A 1 33 PHE 33 33 33 PHE PHE A . n +A 1 34 GLY 34 34 34 GLY GLY A . n +A 1 35 VAL 35 35 35 VAL VAL A . n +A 1 36 ILE 36 36 36 ILE ILE A . n +A 1 37 MET 37 37 37 MET MET A . n +A 1 38 ILE 38 38 38 ILE ILE A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 THR 40 40 40 THR THR A . n +A 1 41 LEU 41 41 41 LEU LEU A . n +A 1 42 LEU 42 42 42 LEU LEU A . n +A 1 43 ALA 43 43 43 ALA ALA A . n +A 1 44 ALA 44 44 44 ALA ALA A . n +A 1 45 THR 45 45 45 THR THR A . n +A 1 46 ILE 46 46 46 ILE ILE A . n +A 1 47 CYS 47 47 47 CYS CYS A . n +A 1 48 PHE 48 48 48 PHE PHE A . n +A 1 49 VAL 49 49 49 VAL VAL A . n +A 1 50 ILE 50 50 50 ILE ILE A . n +A 1 51 ALA 51 51 51 ALA ALA A . n +A 1 52 PHE 52 52 52 PHE PHE A . n +A 1 53 ILE 53 53 53 ILE ILE A . n +A 1 54 ALA 54 54 54 ALA ALA A . n +A 1 55 ALA 55 55 55 ALA ALA A . n +A 1 56 PRO 56 56 56 PRO PRO A . n +A 1 57 PRO 57 57 57 PRO PRO A . n +A 1 58 VAL 58 58 58 VAL VAL A . n +A 1 59 ASP 59 59 59 ASP ASP A . n +A 1 60 ILE 60 60 60 ILE ILE A . n +A 1 61 ASP 61 61 61 ASP ASP A . n +A 1 62 GLY 62 62 62 GLY GLY A . n +A 1 63 ILE 63 63 63 ILE ILE A . n +A 1 64 ARG 64 64 64 ARG ARG A . n +A 1 65 GLU 65 65 65 GLU GLU A . n +A 1 66 PRO 66 66 66 PRO PRO A . n +A 1 67 VAL 67 67 67 VAL VAL A . n +A 1 68 SER 68 68 68 SER SER A . n +A 1 69 GLY 69 69 69 GLY GLY A . n +A 1 70 SER 70 70 70 SER SER A . n +A 1 71 LEU 71 71 71 LEU LEU A . n +A 1 72 LEU 72 72 72 LEU LEU A . n +A 1 73 TYR 73 73 73 TYR TYR A . n +A 1 74 GLY 74 74 74 GLY GLY A . n +A 1 75 ASN 75 75 75 ASN ASN A . n +A 1 76 ASN 76 76 76 ASN ASN A . n +A 1 77 ILE 77 77 77 ILE ILE A . n +A 1 78 ILE 78 78 78 ILE ILE A . n +A 1 79 THR 79 79 79 THR THR A . n +A 1 80 GLY 80 80 80 GLY GLY A . n +A 1 81 ALA 81 81 81 ALA ALA A . n +A 1 82 VAL 82 82 82 VAL VAL A . n +A 1 83 VAL 83 83 83 VAL VAL A . n +A 1 84 PRO 84 84 84 PRO PRO A . n +A 1 85 SER 85 85 85 SER SER A . n +A 1 86 SER 86 86 86 SER SER A . n +A 1 87 ASN 87 87 87 ASN ASN A . n +A 1 88 ALA 88 88 88 ALA ALA A . n +A 1 89 ILE 89 89 89 ILE ILE A . n +A 1 90 GLY 90 90 90 GLY GLY A . n +A 1 91 LEU 91 91 91 LEU LEU A . n +A 1 92 HIS 92 92 92 HIS HIS A . n +A 1 93 PHE 93 93 93 PHE PHE A . n +A 1 94 TYR 94 94 94 TYR TYR A . n +A 1 95 PRO 95 95 95 PRO PRO A . n +A 1 96 ILE 96 96 96 ILE ILE A . n +A 1 97 TRP 97 97 97 TRP TRP A . n +A 1 98 GLU 98 98 98 GLU GLU A . n +A 1 99 ALA 99 99 99 ALA ALA A . n +A 1 100 ALA 100 100 100 ALA ALA A . n +A 1 101 SER 101 101 101 SER SER A . n +A 1 102 LEU 102 102 102 LEU LEU A . n +A 1 103 ASP 103 103 103 ASP ASP A . n +A 1 104 GLU 104 104 104 GLU GLU A . n +A 1 105 TRP 105 105 105 TRP TRP A . n +A 1 106 LEU 106 106 106 LEU LEU A . n +A 1 107 TYR 107 107 107 TYR TYR A . n +A 1 108 ASN 108 108 108 ASN ASN A . n +A 1 109 GLY 109 109 109 GLY GLY A . n +A 1 110 GLY 110 110 110 GLY GLY A . n +A 1 111 PRO 111 111 111 PRO PRO A . n +A 1 112 TYR 112 112 112 TYR TYR A . n +A 1 113 GLN 113 113 113 GLN GLN A . n +A 1 114 LEU 114 114 114 LEU LEU A . n +A 1 115 ILE 115 115 115 ILE ILE A . n +A 1 116 ILE 116 116 116 ILE ILE A . n +A 1 117 PHE 117 117 117 PHE PHE A . n +A 1 118 HIS 118 118 118 HIS HIS A . n +A 1 119 PHE 119 119 119 PHE PHE A . n +A 1 120 LEU 120 120 120 LEU LEU A . n +A 1 121 LEU 121 121 121 LEU LEU A . n +A 1 122 GLY 122 122 122 GLY GLY A . n +A 1 123 ALA 123 123 123 ALA ALA A . n +A 1 124 SER 124 124 124 SER SER A . n +A 1 125 CYS 125 125 125 CYS CYS A . n +A 1 126 TYR 126 126 126 TYR TYR A . n +A 1 127 MET 127 127 127 MET MET A . n +A 1 128 GLY 128 128 128 GLY GLY A . n +A 1 129 ARG 129 129 129 ARG ARG A . n +A 1 130 GLN 130 130 130 GLN GLN A . n +A 1 131 TRP 131 131 131 TRP TRP A . n +A 1 132 GLU 132 132 132 GLU GLU A . n +A 1 133 LEU 133 133 133 LEU LEU A . n +A 1 134 SER 134 134 134 SER SER A . n +A 1 135 TYR 135 135 135 TYR TYR A . n +A 1 136 ARG 136 136 136 ARG ARG A . n +A 1 137 LEU 137 137 137 LEU LEU A . n +A 1 138 GLY 138 138 138 GLY GLY A . n +A 1 139 MET 139 139 139 MET MET A . n +A 1 140 ARG 140 140 140 ARG ARG A . n +A 1 141 PRO 141 141 141 PRO PRO A . n +A 1 142 TRP 142 142 142 TRP TRP A . n +A 1 143 ILE 143 143 143 ILE ILE A . n +A 1 144 CYS 144 144 144 CYS CYS A . n +A 1 145 VAL 145 145 145 VAL VAL A . n +A 1 146 ALA 146 146 146 ALA ALA A . n +A 1 147 TYR 147 147 147 TYR TYR A . n +A 1 148 SER 148 148 148 SER SER A . n +A 1 149 ALA 149 149 149 ALA ALA A . n +A 1 150 PRO 150 150 150 PRO PRO A . n +A 1 151 LEU 151 151 151 LEU LEU A . n +A 1 152 ALA 152 152 152 ALA ALA A . n +A 1 153 SER 153 153 153 SER SER A . n +A 1 154 ALA 154 154 154 ALA ALA A . n +A 1 155 PHE 155 155 155 PHE PHE A . n +A 1 156 ALA 156 156 156 ALA ALA A . n +A 1 157 VAL 157 157 157 VAL VAL A . n +A 1 158 PHE 158 158 158 PHE PHE A . n +A 1 159 LEU 159 159 159 LEU LEU A . n +A 1 160 ILE 160 160 160 ILE ILE A . n +A 1 161 TYR 161 161 161 TYR TYR A . n +A 1 162 PRO 162 162 162 PRO PRO A . n +A 1 163 ILE 163 163 163 ILE ILE A . n +A 1 164 GLY 164 164 164 GLY GLY A . n +A 1 165 GLN 165 165 165 GLN GLN A . n +A 1 166 GLY 166 166 166 GLY GLY A . n +A 1 167 SER 167 167 167 SER SER A . n +A 1 168 PHE 168 168 168 PHE PHE A . n +A 1 169 SER 169 169 169 SER SER A . n +A 1 170 ASP 170 170 170 ASP ASP A . n +A 1 171 GLY 171 171 171 GLY GLY A . n +A 1 172 MET 172 172 172 MET MET A . n +A 1 173 PRO 173 173 173 PRO PRO A . n +A 1 174 LEU 174 174 174 LEU LEU A . n +A 1 175 GLY 175 175 175 GLY GLY A . n +A 1 176 ILE 176 176 176 ILE ILE A . n +A 1 177 SER 177 177 177 SER SER A . n +A 1 178 GLY 178 178 178 GLY GLY A . n +A 1 179 THR 179 179 179 THR THR A . n +A 1 180 PHE 180 180 180 PHE PHE A . n +A 1 181 ASN 181 181 181 ASN ASN A . n +A 1 182 PHE 182 182 182 PHE PHE A . n +A 1 183 MET 183 183 183 MET MET A . n +A 1 184 ILE 184 184 184 ILE ILE A . n +A 1 185 VAL 185 185 185 VAL VAL A . n +A 1 186 PHE 186 186 186 PHE PHE A . n +A 1 187 GLN 187 187 187 GLN GLN A . n +A 1 188 ALA 188 188 188 ALA ALA A . n +A 1 189 GLU 189 189 189 GLU GLU A . n +A 1 190 HIS 190 190 190 HIS HIS A . n +A 1 191 ASN 191 191 191 ASN ASN A . n +A 1 192 ILE 192 192 192 ILE ILE A . n +A 1 193 LEU 193 193 193 LEU LEU A . n +A 1 194 MET 194 194 194 MET MET A . n +A 1 195 HIS 195 195 195 HIS HIS A . n +A 1 196 PRO 196 196 196 PRO PRO A . n +A 1 197 PHE 197 197 197 PHE PHE A . n +A 1 198 HIS 198 198 198 HIS HIS A . n +A 1 199 GLN 199 199 199 GLN GLN A . n +A 1 200 LEU 200 200 200 LEU LEU A . n +A 1 201 GLY 201 201 201 GLY GLY A . n +A 1 202 VAL 202 202 202 VAL VAL A . n +A 1 203 ALA 203 203 203 ALA ALA A . n +A 1 204 GLY 204 204 204 GLY GLY A . n +A 1 205 VAL 205 205 205 VAL VAL A . n +A 1 206 PHE 206 206 206 PHE PHE A . n +A 1 207 GLY 207 207 207 GLY GLY A . n +A 1 208 GLY 208 208 208 GLY GLY A . n +A 1 209 ALA 209 209 209 ALA ALA A . n +A 1 210 LEU 210 210 210 LEU LEU A . n +A 1 211 PHE 211 211 211 PHE PHE A . n +A 1 212 CYS 212 212 212 CYS CYS A . n +A 1 213 ALA 213 213 213 ALA ALA A . n +A 1 214 MET 214 214 214 MET MET A . n +A 1 215 HIS 215 215 215 HIS HIS A . n +A 1 216 GLY 216 216 216 GLY GLY A . n +A 1 217 SER 217 217 217 SER SER A . n +A 1 218 LEU 218 218 218 LEU LEU A . n +A 1 219 VAL 219 219 219 VAL VAL A . n +A 1 220 THR 220 220 220 THR THR A . n +A 1 221 SER 221 221 221 SER SER A . n +A 1 222 SER 222 222 222 SER SER A . n +A 1 223 LEU 223 223 223 LEU LEU A . n +A 1 224 ILE 224 224 224 ILE ILE A . n +A 1 225 ARG 225 225 225 ARG ARG A . n +A 1 226 GLU 226 226 226 GLU GLU A . n +A 1 227 THR 227 227 227 THR THR A . n +A 1 228 THR 228 228 228 THR THR A . n +A 1 229 GLU 229 229 229 GLU GLU A . n +A 1 230 THR 230 230 230 THR THR A . n +A 1 231 GLU 231 231 231 GLU GLU A . n +A 1 232 SER 232 232 232 SER SER A . n +A 1 233 ALA 233 233 233 ALA ALA A . n +A 1 234 ASN 234 234 234 ASN ASN A . n +A 1 235 TYR 235 235 235 TYR TYR A . n +A 1 236 GLY 236 236 236 GLY GLY A . n +A 1 237 TYR 237 237 237 TYR TYR A . n +A 1 238 LYS 238 238 238 LYS LYS A . n +A 1 239 PHE 239 239 239 PHE PHE A . n +A 1 240 GLY 240 240 240 GLY GLY A . n +A 1 241 GLN 241 241 241 GLN GLN A . n +A 1 242 GLU 242 242 242 GLU GLU A . n +A 1 243 GLU 243 243 243 GLU GLU A . n +A 1 244 GLU 244 244 244 GLU GLU A . n +A 1 245 THR 245 245 245 THR THR A . n +A 1 246 TYR 246 246 246 TYR TYR A . n +A 1 247 ASN 247 247 247 ASN ASN A . n +A 1 248 ILE 248 248 248 ILE ILE A . n +A 1 249 VAL 249 249 249 VAL VAL A . n +A 1 250 ALA 250 250 250 ALA ALA A . n +A 1 251 ALA 251 251 251 ALA ALA A . n +A 1 252 HIS 252 252 252 HIS HIS A . n +A 1 253 GLY 253 253 253 GLY GLY A . n +A 1 254 TYR 254 254 254 TYR TYR A . n +A 1 255 PHE 255 255 255 PHE PHE A . n +A 1 256 GLY 256 256 256 GLY GLY A . n +A 1 257 ARG 257 257 257 ARG ARG A . n +A 1 258 LEU 258 258 258 LEU LEU A . n +A 1 259 ILE 259 259 259 ILE ILE A . n +A 1 260 PHE 260 260 260 PHE PHE A . n +A 1 261 GLN 261 261 261 GLN GLN A . n +A 1 262 TYR 262 262 262 TYR TYR A . n +A 1 263 ALA 263 263 263 ALA ALA A . n +A 1 264 SER 264 264 264 SER SER A . n +A 1 265 PHE 265 265 265 PHE PHE A . n +A 1 266 ASN 266 266 266 ASN ASN A . n +A 1 267 ASN 267 267 267 ASN ASN A . n +A 1 268 SER 268 268 268 SER SER A . n +A 1 269 ARG 269 269 269 ARG ARG A . n +A 1 270 SER 270 270 270 SER SER A . n +A 1 271 LEU 271 271 271 LEU LEU A . n +A 1 272 HIS 272 272 272 HIS HIS A . n +A 1 273 PHE 273 273 273 PHE PHE A . n +A 1 274 PHE 274 274 274 PHE PHE A . n +A 1 275 LEU 275 275 275 LEU LEU A . n +A 1 276 ALA 276 276 276 ALA ALA A . n +A 1 277 ALA 277 277 277 ALA ALA A . n +A 1 278 TRP 278 278 278 TRP TRP A . n +A 1 279 PRO 279 279 279 PRO PRO A . n +A 1 280 VAL 280 280 280 VAL VAL A . n +A 1 281 VAL 281 281 281 VAL VAL A . n +A 1 282 GLY 282 282 282 GLY GLY A . n +A 1 283 VAL 283 283 283 VAL VAL A . n +A 1 284 TRP 284 284 284 TRP TRP A . n +A 1 285 PHE 285 285 285 PHE PHE A . n +A 1 286 ALA 286 286 286 ALA ALA A . n +A 1 287 ALA 287 287 287 ALA ALA A . n +A 1 288 LEU 288 288 288 LEU LEU A . n +A 1 289 GLY 289 289 289 GLY GLY A . n +A 1 290 ILE 290 290 290 ILE ILE A . n +A 1 291 SER 291 291 291 SER SER A . n +A 1 292 THR 292 292 292 THR THR A . n +A 1 293 MET 293 293 293 MET MET A . n +A 1 294 ALA 294 294 294 ALA ALA A . n +A 1 295 PHE 295 295 295 PHE PHE A . n +A 1 296 ASN 296 296 296 ASN ASN A . n +A 1 297 LEU 297 297 297 LEU LEU A . n +A 1 298 ASN 298 298 298 ASN ASN A . n +A 1 299 GLY 299 299 299 GLY GLY A . n +A 1 300 PHE 300 300 300 PHE PHE A . n +A 1 301 ASN 301 301 301 ASN ASN A . n +A 1 302 PHE 302 302 302 PHE PHE A . n +A 1 303 ASN 303 303 303 ASN ASN A . n +A 1 304 HIS 304 304 304 HIS HIS A . n +A 1 305 SER 305 305 305 SER SER A . n +A 1 306 VAL 306 306 306 VAL VAL A . n +A 1 307 ILE 307 307 307 ILE ILE A . n +A 1 308 ASP 308 308 308 ASP ASP A . n +A 1 309 ALA 309 309 309 ALA ALA A . n +A 1 310 LYS 310 310 310 LYS LYS A . n +A 1 311 GLY 311 311 311 GLY GLY A . n +A 1 312 ASN 312 312 312 ASN ASN A . n +A 1 313 VAL 313 313 313 VAL VAL A . n +A 1 314 ILE 314 314 314 ILE ILE A . n +A 1 315 ASN 315 315 315 ASN ASN A . n +A 1 316 THR 316 316 316 THR THR A . n +A 1 317 TRP 317 317 317 TRP TRP A . n +A 1 318 ALA 318 318 318 ALA ALA A . n +A 1 319 ASP 319 319 319 ASP ASP A . n +A 1 320 ILE 320 320 320 ILE ILE A . n +A 1 321 ILE 321 321 321 ILE ILE A . n +A 1 322 ASN 322 322 322 ASN ASN A . n +A 1 323 ARG 323 323 323 ARG ARG A . n +A 1 324 ALA 324 324 324 ALA ALA A . n +A 1 325 ASN 325 325 325 ASN ASN A . n +A 1 326 LEU 326 326 326 LEU LEU A . n +A 1 327 GLY 327 327 327 GLY GLY A . n +A 1 328 MET 328 328 328 MET MET A . n +A 1 329 GLU 329 329 329 GLU GLU A . n +A 1 330 VAL 330 330 330 VAL VAL A . n +A 1 331 MET 331 331 331 MET MET A . n +A 1 332 HIS 332 332 332 HIS HIS A . n +A 1 333 GLU 333 333 333 GLU GLU A . n +A 1 334 ARG 334 334 334 ARG ARG A . n +A 1 335 ASN 335 335 335 ASN ASN A . n +A 1 336 ALA 336 336 336 ALA ALA A . n +A 1 337 HIS 337 337 337 HIS HIS A . n +A 1 338 ASN 338 338 338 ASN ASN A . n +A 1 339 PHE 339 339 339 PHE PHE A . n +A 1 340 PRO 340 340 340 PRO PRO A . n +A 1 341 LEU 341 341 341 LEU LEU A . n +A 1 342 ASP 342 342 342 ASP ASP A . n +A 1 343 LEU 343 343 343 LEU LEU A . n +A 1 344 ALA 344 344 344 ALA ALA A . n +B 2 1 GLY 1 2 2 GLY GLY B . n +B 2 2 LEU 2 3 3 LEU LEU B . n +B 2 3 PRO 3 4 4 PRO PRO B . n +B 2 4 TRP 4 5 5 TRP TRP B . n +B 2 5 TYR 5 6 6 TYR TYR B . n +B 2 6 ARG 6 7 7 ARG ARG B . n +B 2 7 VAL 7 8 8 VAL VAL B . n +B 2 8 HIS 8 9 9 HIS HIS B . n +B 2 9 THR 9 10 10 THR THR B . n +B 2 10 VAL 10 11 11 VAL VAL B . n +B 2 11 LEU 11 12 12 LEU LEU B . n +B 2 12 ILE 12 13 13 ILE ILE B . n +B 2 13 ASN 13 14 14 ASN ASN B . n +B 2 14 ASP 14 15 15 ASP ASP B . n +B 2 15 PRO 15 16 16 PRO PRO B . n +B 2 16 GLY 16 17 17 GLY GLY B . n +B 2 17 ARG 17 18 18 ARG ARG B . n +B 2 18 LEU 18 19 19 LEU LEU B . n +B 2 19 ILE 19 20 20 ILE ILE B . n +B 2 20 ALA 20 21 21 ALA ALA B . n +B 2 21 ALA 21 22 22 ALA ALA B . n +B 2 22 HIS 22 23 23 HIS HIS B . n +B 2 23 LEU 23 24 24 LEU LEU B . n +B 2 24 MET 24 25 25 MET MET B . n +B 2 25 HIS 25 26 26 HIS HIS B . n +B 2 26 THR 26 27 27 THR THR B . n +B 2 27 ALA 27 28 28 ALA ALA B . n +B 2 28 LEU 28 29 29 LEU LEU B . n +B 2 29 VAL 29 30 30 VAL VAL B . n +B 2 30 ALA 30 31 31 ALA ALA B . n +B 2 31 GLY 31 32 32 GLY GLY B . n +B 2 32 TRP 32 33 33 TRP TRP B . n +B 2 33 ALA 33 34 34 ALA ALA B . n +B 2 34 GLY 34 35 35 GLY GLY B . n +B 2 35 SER 35 36 36 SER SER B . n +B 2 36 MET 36 37 37 MET MET B . n +B 2 37 ALA 37 38 38 ALA ALA B . n +B 2 38 LEU 38 39 39 LEU LEU B . n +B 2 39 TYR 39 40 40 TYR TYR B . n +B 2 40 GLU 40 41 41 GLU GLU B . n +B 2 41 LEU 41 42 42 LEU LEU B . n +B 2 42 ALA 42 43 43 ALA ALA B . n +B 2 43 THR 43 44 44 THR THR B . n +B 2 44 PHE 44 45 45 PHE PHE B . n +B 2 45 ASP 45 46 46 ASP ASP B . n +B 2 46 PRO 46 47 47 PRO PRO B . n +B 2 47 SER 47 48 48 SER SER B . n +B 2 48 ASP 48 49 49 ASP ASP B . n +B 2 49 PRO 49 50 50 PRO PRO B . n +B 2 50 VAL 50 51 51 VAL VAL B . n +B 2 51 LEU 51 52 52 LEU LEU B . n +B 2 52 ASN 52 53 53 ASN ASN B . n +B 2 53 PRO 53 54 54 PRO PRO B . n +B 2 54 MET 54 55 55 MET MET B . n +B 2 55 TRP 55 56 56 TRP TRP B . n +B 2 56 ARG 56 57 57 ARG ARG B . n +B 2 57 GLN 57 58 58 GLN GLN B . n +B 2 58 GLY 58 59 59 GLY GLY B . n +B 2 59 MET 59 60 60 MET MET B . n +B 2 60 PHE 60 61 61 PHE PHE B . n +B 2 61 VAL 61 62 62 VAL VAL B . n +B 2 62 LEU 62 63 63 LEU LEU B . n +B 2 63 PRO 63 64 64 PRO PRO B . n +B 2 64 PHE 64 65 65 PHE PHE B . n +B 2 65 MET 65 66 66 MET MET B . n +B 2 66 ALA 66 67 67 ALA ALA B . n +B 2 67 ARG 67 68 68 ARG ARG B . n +B 2 68 LEU 68 69 69 LEU LEU B . n +B 2 69 GLY 69 70 70 GLY GLY B . n +B 2 70 VAL 70 71 71 VAL VAL B . n +B 2 71 THR 71 72 72 THR THR B . n +B 2 72 GLY 72 73 73 GLY GLY B . n +B 2 73 SER 73 74 74 SER SER B . n +B 2 74 TRP 74 75 75 TRP TRP B . n +B 2 75 SER 75 76 76 SER SER B . n +B 2 76 GLY 76 77 77 GLY GLY B . n +B 2 77 TRP 77 78 78 TRP TRP B . n +B 2 78 SER 78 79 79 SER SER B . n +B 2 79 ILE 79 80 80 ILE ILE B . n +B 2 80 THR 80 81 81 THR THR B . n +B 2 81 GLY 81 82 82 GLY GLY B . n +B 2 82 GLU 82 83 83 GLU GLU B . n +B 2 83 THR 83 84 84 THR THR B . n +B 2 84 GLY 84 85 85 GLY GLY B . n +B 2 85 ILE 85 86 86 ILE ILE B . n +B 2 86 ASP 86 87 87 ASP ASP B . n +B 2 87 PRO 87 88 88 PRO PRO B . n +B 2 88 GLY 88 89 89 GLY GLY B . n +B 2 89 PHE 89 90 90 PHE PHE B . n +B 2 90 TRP 90 91 91 TRP TRP B . n +B 2 91 SER 91 92 92 SER SER B . n +B 2 92 PHE 92 93 93 PHE PHE B . n +B 2 93 GLU 93 94 94 GLU GLU B . n +B 2 94 GLY 94 95 95 GLY GLY B . n +B 2 95 VAL 95 96 96 VAL VAL B . n +B 2 96 ALA 96 97 97 ALA ALA B . n +B 2 97 LEU 97 98 98 LEU LEU B . n +B 2 98 ALA 98 99 99 ALA ALA B . n +B 2 99 HIS 99 100 100 HIS HIS B . n +B 2 100 ILE 100 101 101 ILE ILE B . n +B 2 101 VAL 101 102 102 VAL VAL B . n +B 2 102 LEU 102 103 103 LEU LEU B . n +B 2 103 SER 103 104 104 SER SER B . n +B 2 104 GLY 104 105 105 GLY GLY B . n +B 2 105 LEU 105 106 106 LEU LEU B . n +B 2 106 LEU 106 107 107 LEU LEU B . n +B 2 107 PHE 107 108 108 PHE PHE B . n +B 2 108 LEU 108 109 109 LEU LEU B . n +B 2 109 ALA 109 110 110 ALA ALA B . n +B 2 110 ALA 110 111 111 ALA ALA B . n +B 2 111 CYS 111 112 112 CYS CYS B . n +B 2 112 TRP 112 113 113 TRP TRP B . n +B 2 113 HIS 113 114 114 HIS HIS B . n +B 2 114 TRP 114 115 115 TRP TRP B . n +B 2 115 VAL 115 116 116 VAL VAL B . n +B 2 116 TYR 116 117 117 TYR TYR B . n +B 2 117 TRP 117 118 118 TRP TRP B . n +B 2 118 ASP 118 119 119 ASP ASP B . n +B 2 119 LEU 119 120 120 LEU LEU B . n +B 2 120 GLU 120 121 121 GLU GLU B . n +B 2 121 LEU 121 122 122 LEU LEU B . n +B 2 122 PHE 122 123 123 PHE PHE B . n +B 2 123 ARG 123 124 124 ARG ARG B . n +B 2 124 ASP 124 125 125 ASP ASP B . n +B 2 125 PRO 125 126 126 PRO PRO B . n +B 2 126 ARG 126 127 127 ARG ARG B . n +B 2 127 THR 127 128 128 THR THR B . n +B 2 128 GLY 128 129 129 GLY GLY B . n +B 2 129 GLU 129 130 130 GLU GLU B . n +B 2 130 PRO 130 131 131 PRO PRO B . n +B 2 131 ALA 131 132 132 ALA ALA B . n +B 2 132 LEU 132 133 133 LEU LEU B . n +B 2 133 ASP 133 134 134 ASP ASP B . n +B 2 134 LEU 134 135 135 LEU LEU B . n +B 2 135 PRO 135 136 136 PRO PRO B . n +B 2 136 LYS 136 137 137 LYS LYS B . n +B 2 137 MET 137 138 138 MET MET B . n +B 2 138 PHE 138 139 139 PHE PHE B . n +B 2 139 GLY 139 140 140 GLY GLY B . n +B 2 140 ILE 140 141 141 ILE ILE B . n +B 2 141 HIS 141 142 142 HIS HIS B . n +B 2 142 LEU 142 143 143 LEU LEU B . n +B 2 143 PHE 143 144 144 PHE PHE B . n +B 2 144 LEU 144 145 145 LEU LEU B . n +B 2 145 ALA 145 146 146 ALA ALA B . n +B 2 146 GLY 146 147 147 GLY GLY B . n +B 2 147 LEU 147 148 148 LEU LEU B . n +B 2 148 LEU 148 149 149 LEU LEU B . n +B 2 149 CYS 149 150 150 CYS CYS B . n +B 2 150 PHE 150 151 151 PHE PHE B . n +B 2 151 GLY 151 152 152 GLY GLY B . n +B 2 152 PHE 152 153 153 PHE PHE B . n +B 2 153 GLY 153 154 154 GLY GLY B . n +B 2 154 ALA 154 155 155 ALA ALA B . n +B 2 155 PHE 155 156 156 PHE PHE B . n +B 2 156 HIS 156 157 157 HIS HIS B . n +B 2 157 LEU 157 158 158 LEU LEU B . n +B 2 158 THR 158 159 159 THR THR B . n +B 2 159 GLY 159 160 160 GLY GLY B . n +B 2 160 LEU 160 161 161 LEU LEU B . n +B 2 161 PHE 161 162 162 PHE PHE B . n +B 2 162 GLY 162 163 163 GLY GLY B . n +B 2 163 PRO 163 164 164 PRO PRO B . n +B 2 164 GLY 164 165 165 GLY GLY B . n +B 2 165 MET 165 166 166 MET MET B . n +B 2 166 TRP 166 167 167 TRP TRP B . n +B 2 167 VAL 167 168 168 VAL VAL B . n +B 2 168 SER 168 169 169 SER SER B . n +B 2 169 ASP 169 170 170 ASP ASP B . n +B 2 170 PRO 170 171 171 PRO PRO B . n +B 2 171 TYR 171 172 172 TYR TYR B . n +B 2 172 GLY 172 173 173 GLY GLY B . n +B 2 173 LEU 173 174 174 LEU LEU B . n +B 2 174 THR 174 175 175 THR THR B . n +B 2 175 GLY 175 176 176 GLY GLY B . n +B 2 176 SER 176 177 177 SER SER B . n +B 2 177 VAL 177 178 178 VAL VAL B . n +B 2 178 GLN 178 179 179 GLN GLN B . n +B 2 179 PRO 179 180 180 PRO PRO B . n +B 2 180 VAL 180 181 181 VAL VAL B . n +B 2 181 ALA 181 182 182 ALA ALA B . n +B 2 182 PRO 182 183 183 PRO PRO B . n +B 2 183 GLU 183 184 184 GLU GLU B . n +B 2 184 TRP 184 185 185 TRP TRP B . n +B 2 185 GLY 185 186 186 GLY GLY B . n +B 2 186 PRO 186 187 187 PRO PRO B . n +B 2 187 ASP 187 188 188 ASP ASP B . n +B 2 188 GLY 188 189 189 GLY GLY B . n +B 2 189 PHE 189 190 190 PHE PHE B . n +B 2 190 ASN 190 191 191 ASN ASN B . n +B 2 191 PRO 191 192 192 PRO PRO B . n +B 2 192 TYR 192 193 193 TYR TYR B . n +B 2 193 ASN 193 194 194 ASN ASN B . n +B 2 194 PRO 194 195 195 PRO PRO B . n +B 2 195 GLY 195 196 196 GLY GLY B . n +B 2 196 GLY 196 197 197 GLY GLY B . n +B 2 197 VAL 197 198 198 VAL VAL B . n +B 2 198 VAL 198 199 199 VAL VAL B . n +B 2 199 ALA 199 200 200 ALA ALA B . n +B 2 200 HIS 200 201 201 HIS HIS B . n +B 2 201 HIS 201 202 202 HIS HIS B . n +B 2 202 ILE 202 203 203 ILE ILE B . n +B 2 203 ALA 203 204 204 ALA ALA B . n +B 2 204 ALA 204 205 205 ALA ALA B . n +B 2 205 GLY 205 206 206 GLY GLY B . n +B 2 206 ILE 206 207 207 ILE ILE B . n +B 2 207 VAL 207 208 208 VAL VAL B . n +B 2 208 GLY 208 209 209 GLY GLY B . n +B 2 209 ILE 209 210 210 ILE ILE B . n +B 2 210 ILE 210 211 211 ILE ILE B . n +B 2 211 ALA 211 212 212 ALA ALA B . n +B 2 212 GLY 212 213 213 GLY GLY B . n +B 2 213 LEU 213 214 214 LEU LEU B . n +B 2 214 PHE 214 215 215 PHE PHE B . n +B 2 215 HIS 215 216 216 HIS HIS B . n +B 2 216 ILE 216 217 217 ILE ILE B . n +B 2 217 LEU 217 218 218 LEU LEU B . n +B 2 218 VAL 218 219 219 VAL VAL B . n +B 2 219 ARG 219 220 220 ARG ARG B . n +B 2 220 PRO 220 221 221 PRO PRO B . n +B 2 221 PRO 221 222 222 PRO PRO B . n +B 2 222 GLN 222 223 223 GLN GLN B . n +B 2 223 ARG 223 224 224 ARG ARG B . n +B 2 224 LEU 224 225 225 LEU LEU B . n +B 2 225 TYR 225 226 226 TYR TYR B . n +B 2 226 LYS 226 227 227 LYS LYS B . n +B 2 227 ALA 227 228 228 ALA ALA B . n +B 2 228 LEU 228 229 229 LEU LEU B . n +B 2 229 ARG 229 230 230 ARG ARG B . n +B 2 230 MET 230 231 231 MET MET B . n +B 2 231 GLY 231 232 232 GLY GLY B . n +B 2 232 ASN 232 233 233 ASN ASN B . n +B 2 233 ILE 233 234 234 ILE ILE B . n +B 2 234 GLU 234 235 235 GLU GLU B . n +B 2 235 THR 235 236 236 THR THR B . n +B 2 236 VAL 236 237 237 VAL VAL B . n +B 2 237 LEU 237 238 238 LEU LEU B . n +B 2 238 SER 238 239 239 SER SER B . n +B 2 239 SER 239 240 240 SER SER B . n +B 2 240 SER 240 241 241 SER SER B . n +B 2 241 ILE 241 242 242 ILE ILE B . n +B 2 242 ALA 242 243 243 ALA ALA B . n +B 2 243 ALA 243 244 244 ALA ALA B . n +B 2 244 VAL 244 245 245 VAL VAL B . n +B 2 245 PHE 245 246 246 PHE PHE B . n +B 2 246 PHE 246 247 247 PHE PHE B . n +B 2 247 ALA 247 248 248 ALA ALA B . n +B 2 248 ALA 248 249 249 ALA ALA B . n +B 2 249 PHE 249 250 250 PHE PHE B . n +B 2 250 VAL 250 251 251 VAL VAL B . n +B 2 251 VAL 251 252 252 VAL VAL B . n +B 2 252 ALA 252 253 253 ALA ALA B . n +B 2 253 GLY 253 254 254 GLY GLY B . n +B 2 254 THR 254 255 255 THR THR B . n +B 2 255 MET 255 256 256 MET MET B . n +B 2 256 TRP 256 257 257 TRP TRP B . n +B 2 257 TYR 257 258 258 TYR TYR B . n +B 2 258 GLY 258 259 259 GLY GLY B . n +B 2 259 SER 259 260 260 SER SER B . n +B 2 260 ALA 260 261 261 ALA ALA B . n +B 2 261 THR 261 262 262 THR THR B . n +B 2 262 THR 262 263 263 THR THR B . n +B 2 263 PRO 263 264 264 PRO PRO B . n +B 2 264 ILE 264 265 265 ILE ILE B . n +B 2 265 GLU 265 266 266 GLU GLU B . n +B 2 266 LEU 266 267 267 LEU LEU B . n +B 2 267 PHE 267 268 268 PHE PHE B . n +B 2 268 GLY 268 269 269 GLY GLY B . n +B 2 269 PRO 269 270 270 PRO PRO B . n +B 2 270 THR 270 271 271 THR THR B . n +B 2 271 ARG 271 272 272 ARG ARG B . n +B 2 272 TYR 272 273 273 TYR TYR B . n +B 2 273 GLN 273 274 274 GLN GLN B . n +B 2 274 TRP 274 275 275 TRP TRP B . n +B 2 275 ASP 275 276 276 ASP ASP B . n +B 2 276 SER 276 277 277 SER SER B . n +B 2 277 SER 277 278 278 SER SER B . n +B 2 278 TYR 278 279 279 TYR TYR B . n +B 2 279 PHE 279 280 280 PHE PHE B . n +B 2 280 GLN 280 281 281 GLN GLN B . n +B 2 281 GLN 281 282 282 GLN GLN B . n +B 2 282 GLU 282 283 283 GLU GLU B . n +B 2 283 ILE 283 284 284 ILE ILE B . n +B 2 284 ASN 284 285 285 ASN ASN B . n +B 2 285 ARG 285 286 286 ARG ARG B . n +B 2 286 ARG 286 287 287 ARG ARG B . n +B 2 287 VAL 287 288 288 VAL VAL B . n +B 2 288 GLN 288 289 289 GLN GLN B . n +B 2 289 ALA 289 290 290 ALA ALA B . n +B 2 290 SER 290 291 291 SER SER B . n +B 2 291 LEU 291 292 292 LEU LEU B . n +B 2 292 ALA 292 293 293 ALA ALA B . n +B 2 293 SER 293 294 294 SER SER B . n +B 2 294 GLY 294 295 295 GLY GLY B . n +B 2 295 ALA 295 296 296 ALA ALA B . n +B 2 296 THR 296 297 297 THR THR B . n +B 2 297 LEU 297 298 298 LEU LEU B . n +B 2 298 GLU 298 299 299 GLU GLU B . n +B 2 299 GLU 299 300 300 GLU GLU B . n +B 2 300 ALA 300 301 301 ALA ALA B . n +B 2 301 TRP 301 302 302 TRP TRP B . n +B 2 302 SER 302 303 303 SER SER B . n +B 2 303 ALA 303 304 304 ALA ALA B . n +B 2 304 ILE 304 305 305 ILE ILE B . n +B 2 305 PRO 305 306 306 PRO PRO B . n +B 2 306 GLU 306 307 307 GLU GLU B . n +B 2 307 LYS 307 308 308 LYS LYS B . n +B 2 308 LEU 308 309 309 LEU LEU B . n +B 2 309 ALA 309 310 310 ALA ALA B . n +B 2 310 PHE 310 311 311 PHE PHE B . n +B 2 311 TYR 311 312 312 TYR TYR B . n +B 2 312 ASP 312 313 313 ASP ASP B . n +B 2 313 TYR 313 314 314 TYR TYR B . n +B 2 314 ILE 314 315 315 ILE ILE B . n +B 2 315 GLY 315 316 316 GLY GLY B . n +B 2 316 ASN 316 317 317 ASN ASN B . n +B 2 317 ASN 317 318 318 ASN ASN B . n +B 2 318 PRO 318 319 319 PRO PRO B . n +B 2 319 ALA 319 320 320 ALA ALA B . n +B 2 320 LYS 320 321 321 LYS LYS B . n +B 2 321 GLY 321 322 322 GLY GLY B . n +B 2 322 GLY 322 323 323 GLY GLY B . n +B 2 323 LEU 323 324 324 LEU LEU B . n +B 2 324 PHE 324 325 325 PHE PHE B . n +B 2 325 ARG 325 326 326 ARG ARG B . n +B 2 326 THR 326 327 327 THR THR B . n +B 2 327 GLY 327 328 328 GLY GLY B . n +B 2 328 PRO 328 329 329 PRO PRO B . n +B 2 329 MET 329 330 330 MET MET B . n +B 2 330 ASN 330 331 331 ASN ASN B . n +B 2 331 LYS 331 332 332 LYS LYS B . n +B 2 332 GLY 332 333 333 GLY GLY B . n +B 2 333 ASP 333 334 334 ASP ASP B . n +B 2 334 GLY 334 335 335 GLY GLY B . n +B 2 335 ILE 335 336 336 ILE ILE B . n +B 2 336 ALA 336 337 337 ALA ALA B . n +B 2 337 GLN 337 338 338 GLN GLN B . n +B 2 338 ALA 338 339 339 ALA ALA B . n +B 2 339 TRP 339 340 340 TRP TRP B . n +B 2 340 LYS 340 341 341 LYS LYS B . n +B 2 341 GLY 341 342 342 GLY GLY B . n +B 2 342 HIS 342 343 343 HIS HIS B . n +B 2 343 ALA 343 344 344 ALA ALA B . n +B 2 344 VAL 344 345 345 VAL VAL B . n +B 2 345 PHE 345 346 346 PHE PHE B . n +B 2 346 ARG 346 347 347 ARG ARG B . n +B 2 347 ASN 347 348 348 ASN ASN B . n +B 2 348 LYS 348 349 349 LYS LYS B . n +B 2 349 GLU 349 350 350 GLU GLU B . n +B 2 350 GLY 350 351 351 GLY GLY B . n +B 2 351 GLU 351 352 352 GLU GLU B . n +B 2 352 GLU 352 353 353 GLU GLU B . n +B 2 353 LEU 353 354 354 LEU LEU B . n +B 2 354 PHE 354 355 355 PHE PHE B . n +B 2 355 VAL 355 356 356 VAL VAL B . n +B 2 356 ARG 356 357 357 ARG ARG B . n +B 2 357 ARG 357 358 358 ARG ARG B . n +B 2 358 MET 358 359 359 MET MET B . n +B 2 359 PRO 359 360 360 PRO PRO B . n +B 2 360 ALA 360 361 361 ALA ALA B . n +B 2 361 PHE 361 362 362 PHE PHE B . n +B 2 362 PHE 362 363 363 PHE PHE B . n +B 2 363 GLU 363 364 364 GLU GLU B . n +B 2 364 SER 364 365 365 SER SER B . n +B 2 365 PHE 365 366 366 PHE PHE B . n +B 2 366 PRO 366 367 367 PRO PRO B . n +B 2 367 VAL 367 368 368 VAL VAL B . n +B 2 368 ILE 368 369 369 ILE ILE B . n +B 2 369 LEU 369 370 370 LEU LEU B . n +B 2 370 THR 370 371 371 THR THR B . n +B 2 371 ASP 371 372 372 ASP ASP B . n +B 2 372 LYS 372 373 373 LYS LYS B . n +B 2 373 ASN 373 374 374 ASN ASN B . n +B 2 374 GLY 374 375 375 GLY GLY B . n +B 2 375 VAL 375 376 376 VAL VAL B . n +B 2 376 VAL 376 377 377 VAL VAL B . n +B 2 377 LYS 377 378 378 LYS LYS B . n +B 2 378 ALA 378 379 379 ALA ALA B . n +B 2 379 ASP 379 380 380 ASP ASP B . n +B 2 380 ILE 380 381 381 ILE ILE B . n +B 2 381 PRO 381 382 382 PRO PRO B . n +B 2 382 PHE 382 383 383 PHE PHE B . n +B 2 383 ARG 383 384 384 ARG ARG B . n +B 2 384 ARG 384 385 385 ARG ARG B . n +B 2 385 ALA 385 386 386 ALA ALA B . n +B 2 386 GLU 386 387 387 GLU GLU B . n +B 2 387 SER 387 388 388 SER SER B . n +B 2 388 LYS 388 389 389 LYS LYS B . n +B 2 389 TYR 389 390 390 TYR TYR B . n +B 2 390 SER 390 391 391 SER SER B . n +B 2 391 PHE 391 392 392 PHE PHE B . n +B 2 392 GLU 392 393 393 GLU GLU B . n +B 2 393 GLN 393 394 394 GLN GLN B . n +B 2 394 GLN 394 395 395 GLN GLN B . n +B 2 395 GLY 395 396 396 GLY GLY B . n +B 2 396 VAL 396 397 397 VAL VAL B . n +B 2 397 THR 397 398 398 THR THR B . n +B 2 398 VAL 398 399 399 VAL VAL B . n +B 2 399 SER 399 400 400 SER SER B . n +B 2 400 PHE 400 401 401 PHE PHE B . n +B 2 401 TYR 401 402 402 TYR TYR B . n +B 2 402 GLY 402 403 403 GLY GLY B . n +B 2 403 GLY 403 404 404 GLY GLY B . n +B 2 404 GLU 404 405 405 GLU GLU B . n +B 2 405 LEU 405 406 406 LEU LEU B . n +B 2 406 ASN 406 407 407 ASN ASN B . n +B 2 407 GLY 407 408 408 GLY GLY B . n +B 2 408 GLN 408 409 409 GLN GLN B . n +B 2 409 THR 409 410 410 THR THR B . n +B 2 410 PHE 410 411 411 PHE PHE B . n +B 2 411 THR 411 412 412 THR THR B . n +B 2 412 ASP 412 413 413 ASP ASP B . n +B 2 413 PRO 413 414 414 PRO PRO B . n +B 2 414 PRO 414 415 415 PRO PRO B . n +B 2 415 THR 415 416 416 THR THR B . n +B 2 416 VAL 416 417 417 VAL VAL B . n +B 2 417 LYS 417 418 418 LYS LYS B . n +B 2 418 SER 418 419 419 SER SER B . n +B 2 419 TYR 419 420 420 TYR TYR B . n +B 2 420 ALA 420 421 421 ALA ALA B . n +B 2 421 ARG 421 422 422 ARG ARG B . n +B 2 422 LYS 422 423 423 LYS LYS B . n +B 2 423 ALA 423 424 424 ALA ALA B . n +B 2 424 ILE 424 425 425 ILE ILE B . n +B 2 425 PHE 425 426 426 PHE PHE B . n +B 2 426 GLY 426 427 427 GLY GLY B . n +B 2 427 GLU 427 428 428 GLU GLU B . n +B 2 428 ILE 428 429 429 ILE ILE B . n +B 2 429 PHE 429 430 430 PHE PHE B . n +B 2 430 GLU 430 431 431 GLU GLU B . n +B 2 431 PHE 431 432 432 PHE PHE B . n +B 2 432 ASP 432 433 433 ASP ASP B . n +B 2 433 THR 433 434 434 THR THR B . n +B 2 434 GLU 434 435 435 GLU GLU B . n +B 2 435 THR 435 436 436 THR THR B . n +B 2 436 LEU 436 437 437 LEU LEU B . n +B 2 437 ASN 437 438 438 ASN ASN B . n +B 2 438 SER 438 439 439 SER SER B . n +B 2 439 ASP 439 440 440 ASP ASP B . n +B 2 440 GLY 440 441 441 GLY GLY B . n +B 2 441 ILE 441 442 442 ILE ILE B . n +B 2 442 PHE 442 443 443 PHE PHE B . n +B 2 443 ARG 443 444 444 ARG ARG B . n +B 2 444 THR 444 445 445 THR THR B . n +B 2 445 SER 445 446 446 SER SER B . n +B 2 446 PRO 446 447 447 PRO PRO B . n +B 2 447 ARG 447 448 448 ARG ARG B . n +B 2 448 GLY 448 449 449 GLY GLY B . n +B 2 449 TRP 449 450 450 TRP TRP B . n +B 2 450 PHE 450 451 451 PHE PHE B . n +B 2 451 THR 451 452 452 THR THR B . n +B 2 452 PHE 452 453 453 PHE PHE B . n +B 2 453 ALA 453 454 454 ALA ALA B . n +B 2 454 HIS 454 455 455 HIS HIS B . n +B 2 455 ALA 455 456 456 ALA ALA B . n +B 2 456 VAL 456 457 457 VAL VAL B . n +B 2 457 PHE 457 458 458 PHE PHE B . n +B 2 458 ALA 458 459 459 ALA ALA B . n +B 2 459 LEU 459 460 460 LEU LEU B . n +B 2 460 LEU 460 461 461 LEU LEU B . n +B 2 461 PHE 461 462 462 PHE PHE B . n +B 2 462 PHE 462 463 463 PHE PHE B . n +B 2 463 PHE 463 464 464 PHE PHE B . n +B 2 464 GLY 464 465 465 GLY GLY B . n +B 2 465 HIS 465 466 466 HIS HIS B . n +B 2 466 ILE 466 467 467 ILE ILE B . n +B 2 467 TRP 467 468 468 TRP TRP B . n +B 2 468 HIS 468 469 469 HIS HIS B . n +B 2 469 GLY 469 470 470 GLY GLY B . n +B 2 470 ALA 470 471 471 ALA ALA B . n +B 2 471 ARG 471 472 472 ARG ARG B . n +B 2 472 THR 472 473 473 THR THR B . n +B 2 473 LEU 473 474 474 LEU LEU B . n +B 2 474 PHE 474 475 475 PHE PHE B . n +B 2 475 ARG 475 476 476 ARG ARG B . n +B 2 476 ASP 476 477 477 ASP ASP B . n +B 2 477 VAL 477 478 478 VAL VAL B . n +B 2 478 PHE 478 479 479 PHE PHE B . n +B 2 479 SER 479 480 480 SER SER B . n +B 2 480 GLY 480 481 481 GLY GLY B . n +B 2 481 ILE 481 482 482 ILE ILE B . n +B 2 482 ASP 482 483 483 ASP ASP B . n +B 2 483 PRO 483 484 484 PRO PRO B . n +B 2 484 GLU 484 485 485 GLU GLU B . n +B 2 485 LEU 485 486 486 LEU LEU B . n +B 2 486 SER 486 487 487 SER SER B . n +B 2 487 PRO 487 488 488 PRO PRO B . n +B 2 488 GLU 488 489 489 GLU GLU B . n +B 2 489 GLN 489 490 490 GLN GLN B . n +B 2 490 VAL 490 491 491 VAL VAL B . n +B 2 491 GLU 491 492 492 GLU GLU B . n +B 2 492 TRP 492 493 493 TRP TRP B . n +B 2 493 GLY 493 494 494 GLY GLY B . n +B 2 494 PHE 494 495 495 PHE PHE B . n +B 2 495 TYR 495 496 496 TYR TYR B . n +B 2 496 GLN 496 497 497 GLN GLN B . n +B 2 497 LYS 497 498 498 LYS LYS B . n +B 2 498 VAL 498 499 499 VAL VAL B . n +B 2 499 GLY 499 500 500 GLY GLY B . n +B 2 500 ASP 500 501 501 ASP ASP B . n +B 2 501 VAL 501 502 502 VAL VAL B . n +B 2 502 THR 502 503 503 THR THR B . n +B 2 503 THR 503 504 504 THR THR B . n +B 2 504 ARG 504 505 505 ARG ARG B . n +B 2 505 LYS 505 506 ? ? ? B . n +C 3 1 ASN 1 19 ? ? ? C . n +C 3 2 SER 2 20 ? ? ? C . n +C 3 3 ILE 3 21 ? ? ? C . n +C 3 4 PHE 4 22 ? ? ? C . n +C 3 5 ALA 5 23 23 ALA ALA C . n +C 3 6 THR 6 24 24 THR THR C . n +C 3 7 ASN 7 25 25 ASN ASN C . n +C 3 8 ARG 8 26 26 ARG ARG C . n +C 3 9 ASP 9 27 27 ASP ASP C . n +C 3 10 GLN 10 28 28 GLN GLN C . n +C 3 11 GLU 11 29 29 GLU GLU C . n +C 3 12 SER 12 30 30 SER SER C . n +C 3 13 SER 13 31 31 SER SER C . n +C 3 14 GLY 14 32 32 GLY GLY C . n +C 3 15 PHE 15 33 33 PHE PHE C . n +C 3 16 ALA 16 34 34 ALA ALA C . n +C 3 17 TRP 17 35 35 TRP TRP C . n +C 3 18 TRP 18 36 36 TRP TRP C . n +C 3 19 ALA 19 37 37 ALA ALA C . n +C 3 20 GLY 20 38 38 GLY GLY C . n +C 3 21 ASN 21 39 39 ASN ASN C . n +C 3 22 ALA 22 40 40 ALA ALA C . n +C 3 23 ARG 23 41 41 ARG ARG C . n +C 3 24 LEU 24 42 42 LEU LEU C . n +C 3 25 ILE 25 43 43 ILE ILE C . n +C 3 26 ASN 26 44 44 ASN ASN C . n +C 3 27 LEU 27 45 45 LEU LEU C . n +C 3 28 SER 28 46 46 SER SER C . n +C 3 29 GLY 29 47 47 GLY GLY C . n +C 3 30 LYS 30 48 48 LYS LYS C . n +C 3 31 LEU 31 49 49 LEU LEU C . n +C 3 32 LEU 32 50 50 LEU LEU C . n +C 3 33 GLY 33 51 51 GLY GLY C . n +C 3 34 ALA 34 52 52 ALA ALA C . n +C 3 35 HIS 35 53 53 HIS HIS C . n +C 3 36 VAL 36 54 54 VAL VAL C . n +C 3 37 ALA 37 55 55 ALA ALA C . n +C 3 38 HIS 38 56 56 HIS HIS C . n +C 3 39 ALA 39 57 57 ALA ALA C . n +C 3 40 GLY 40 58 58 GLY GLY C . n +C 3 41 LEU 41 59 59 LEU LEU C . n +C 3 42 ILE 42 60 60 ILE ILE C . n +C 3 43 VAL 43 61 61 VAL VAL C . n +C 3 44 PHE 44 62 62 PHE PHE C . n +C 3 45 TRP 45 63 63 TRP TRP C . n +C 3 46 ALA 46 64 64 ALA ALA C . n +C 3 47 GLY 47 65 65 GLY GLY C . n +C 3 48 ALA 48 66 66 ALA ALA C . n +C 3 49 MET 49 67 67 MET MET C . n +C 3 50 THR 50 68 68 THR THR C . n +C 3 51 LEU 51 69 69 LEU LEU C . n +C 3 52 PHE 52 70 70 PHE PHE C . n +C 3 53 GLU 53 71 71 GLU GLU C . n +C 3 54 LEU 54 72 72 LEU LEU C . n +C 3 55 ALA 55 73 73 ALA ALA C . n +C 3 56 HIS 56 74 74 HIS HIS C . n +C 3 57 PHE 57 75 75 PHE PHE C . n +C 3 58 ILE 58 76 76 ILE ILE C . n +C 3 59 PRO 59 77 77 PRO PRO C . n +C 3 60 GLU 60 78 78 GLU GLU C . n +C 3 61 LYS 61 79 79 LYS LYS C . n +C 3 62 PRO 62 80 80 PRO PRO C . n +C 3 63 MET 63 81 81 MET MET C . n +C 3 64 TYR 64 82 82 TYR TYR C . n +C 3 65 GLU 65 83 83 GLU GLU C . n +C 3 66 GLN 66 84 84 GLN GLN C . n +C 3 67 GLY 67 85 85 GLY GLY C . n +C 3 68 LEU 68 86 86 LEU LEU C . n +C 3 69 ILE 69 87 87 ILE ILE C . n +C 3 70 LEU 70 88 88 LEU LEU C . n +C 3 71 ILE 71 89 89 ILE ILE C . n +C 3 72 PRO 72 90 90 PRO PRO C . n +C 3 73 HIS 73 91 91 HIS HIS C . n +C 3 74 ILE 74 92 92 ILE ILE C . n +C 3 75 ALA 75 93 93 ALA ALA C . n +C 3 76 THR 76 94 94 THR THR C . n +C 3 77 LEU 77 95 95 LEU LEU C . n +C 3 78 GLY 78 96 96 GLY GLY C . n +C 3 79 TRP 79 97 97 TRP TRP C . n +C 3 80 GLY 80 98 98 GLY GLY C . n +C 3 81 VAL 81 99 99 VAL VAL C . n +C 3 82 GLY 82 100 100 GLY GLY C . n +C 3 83 PRO 83 101 101 PRO PRO C . n +C 3 84 GLY 84 102 102 GLY GLY C . n +C 3 85 GLY 85 103 103 GLY GLY C . n +C 3 86 GLU 86 104 104 GLU GLU C . n +C 3 87 VAL 87 105 105 VAL VAL C . n +C 3 88 VAL 88 106 106 VAL VAL C . n +C 3 89 ASP 89 107 107 ASP ASP C . n +C 3 90 THR 90 108 108 THR THR C . n +C 3 91 PHE 91 109 109 PHE PHE C . n +C 3 92 PRO 92 110 110 PRO PRO C . n +C 3 93 PHE 93 111 111 PHE PHE C . n +C 3 94 PHE 94 112 112 PHE PHE C . n +C 3 95 VAL 95 113 113 VAL VAL C . n +C 3 96 VAL 96 114 114 VAL VAL C . n +C 3 97 GLY 97 115 115 GLY GLY C . n +C 3 98 VAL 98 116 116 VAL VAL C . n +C 3 99 VAL 99 117 117 VAL VAL C . n +C 3 100 HIS 100 118 118 HIS HIS C . n +C 3 101 LEU 101 119 119 LEU LEU C . n +C 3 102 ILE 102 120 120 ILE ILE C . n +C 3 103 SER 103 121 121 SER SER C . n +C 3 104 SER 104 122 122 SER SER C . n +C 3 105 ALA 105 123 123 ALA ALA C . n +C 3 106 VAL 106 124 124 VAL VAL C . n +C 3 107 LEU 107 125 125 LEU LEU C . n +C 3 108 GLY 108 126 126 GLY GLY C . n +C 3 109 PHE 109 127 127 PHE PHE C . n +C 3 110 GLY 110 128 128 GLY GLY C . n +C 3 111 GLY 111 129 129 GLY GLY C . n +C 3 112 VAL 112 130 130 VAL VAL C . n +C 3 113 TYR 113 131 131 TYR TYR C . n +C 3 114 HIS 114 132 132 HIS HIS C . n +C 3 115 ALA 115 133 133 ALA ALA C . n +C 3 116 ILE 116 134 134 ILE ILE C . n +C 3 117 ARG 117 135 135 ARG ARG C . n +C 3 118 GLY 118 136 136 GLY GLY C . n +C 3 119 PRO 119 137 137 PRO PRO C . n +C 3 120 GLU 120 138 138 GLU GLU C . n +C 3 121 THR 121 139 139 THR THR C . n +C 3 122 LEU 122 140 140 LEU LEU C . n +C 3 123 GLU 123 141 141 GLU GLU C . n +C 3 124 GLU 124 142 142 GLU GLU C . n +C 3 125 TYR 125 143 143 TYR TYR C . n +C 3 126 SER 126 144 144 SER SER C . n +C 3 127 SER 127 145 145 SER SER C . n +C 3 128 PHE 128 146 146 PHE PHE C . n +C 3 129 PHE 129 147 147 PHE PHE C . n +C 3 130 GLY 130 148 148 GLY GLY C . n +C 3 131 TYR 131 149 149 TYR TYR C . n +C 3 132 ASP 132 150 150 ASP ASP C . n +C 3 133 TRP 133 151 151 TRP TRP C . n +C 3 134 LYS 134 152 152 LYS LYS C . n +C 3 135 ASP 135 153 153 ASP ASP C . n +C 3 136 LYS 136 154 154 LYS LYS C . n +C 3 137 ASN 137 155 155 ASN ASN C . n +C 3 138 LYS 138 156 156 LYS LYS C . n +C 3 139 MET 139 157 157 MET MET C . n +C 3 140 THR 140 158 158 THR THR C . n +C 3 141 THR 141 159 159 THR THR C . n +C 3 142 ILE 142 160 160 ILE ILE C . n +C 3 143 LEU 143 161 161 LEU LEU C . n +C 3 144 GLY 144 162 162 GLY GLY C . n +C 3 145 PHE 145 163 163 PHE PHE C . n +C 3 146 HIS 146 164 164 HIS HIS C . n +C 3 147 LEU 147 165 165 LEU LEU C . n +C 3 148 ILE 148 166 166 ILE ILE C . n +C 3 149 VAL 149 167 167 VAL VAL C . n +C 3 150 LEU 150 168 168 LEU LEU C . n +C 3 151 GLY 151 169 169 GLY GLY C . n +C 3 152 ILE 152 170 170 ILE ILE C . n +C 3 153 GLY 153 171 171 GLY GLY C . n +C 3 154 ALA 154 172 172 ALA ALA C . n +C 3 155 LEU 155 173 173 LEU LEU C . n +C 3 156 LEU 156 174 174 LEU LEU C . n +C 3 157 LEU 157 175 175 LEU LEU C . n +C 3 158 VAL 158 176 176 VAL VAL C . n +C 3 159 ALA 159 177 177 ALA ALA C . n +C 3 160 LYS 160 178 178 LYS LYS C . n +C 3 161 ALA 161 179 179 ALA ALA C . n +C 3 162 MET 162 180 180 MET MET C . n +C 3 163 PHE 163 181 181 PHE PHE C . n +C 3 164 PHE 164 182 182 PHE PHE C . n +C 3 165 GLY 165 183 183 GLY GLY C . n +C 3 166 GLY 166 184 184 GLY GLY C . n +C 3 167 LEU 167 185 185 LEU LEU C . n +C 3 168 TYR 168 186 186 TYR TYR C . n +C 3 169 ASP 169 187 187 ASP ASP C . n +C 3 170 THR 170 188 188 THR THR C . n +C 3 171 TRP 171 189 189 TRP TRP C . n +C 3 172 ALA 172 190 190 ALA ALA C . n +C 3 173 PRO 173 191 191 PRO PRO C . n +C 3 174 GLY 174 192 192 GLY GLY C . n +C 3 175 GLY 175 193 193 GLY GLY C . n +C 3 176 GLY 176 194 194 GLY GLY C . n +C 3 177 ASP 177 195 195 ASP ASP C . n +C 3 178 VAL 178 196 196 VAL VAL C . n +C 3 179 ARG 179 197 197 ARG ARG C . n +C 3 180 VAL 180 198 198 VAL VAL C . n +C 3 181 ILE 181 199 199 ILE ILE C . n +C 3 182 THR 182 200 200 THR THR C . n +C 3 183 ASN 183 201 201 ASN ASN C . n +C 3 184 PRO 184 202 202 PRO PRO C . n +C 3 185 THR 185 203 203 THR THR C . n +C 3 186 LEU 186 204 204 LEU LEU C . n +C 3 187 ASP 187 205 205 ASP ASP C . n +C 3 188 PRO 188 206 206 PRO PRO C . n +C 3 189 ARG 189 207 207 ARG ARG C . n +C 3 190 VAL 190 208 208 VAL VAL C . n +C 3 191 ILE 191 209 209 ILE ILE C . n +C 3 192 PHE 192 210 210 PHE PHE C . n +C 3 193 GLY 193 211 211 GLY GLY C . n +C 3 194 TYR 194 212 212 TYR TYR C . n +C 3 195 LEU 195 213 213 LEU LEU C . n +C 3 196 LEU 196 214 214 LEU LEU C . n +C 3 197 LYS 197 215 215 LYS LYS C . n +C 3 198 SER 198 216 216 SER SER C . n +C 3 199 PRO 199 217 217 PRO PRO C . n +C 3 200 PHE 200 218 218 PHE PHE C . n +C 3 201 GLY 201 219 219 GLY GLY C . n +C 3 202 GLY 202 220 220 GLY GLY C . n +C 3 203 GLU 203 221 221 GLU GLU C . n +C 3 204 GLY 204 222 222 GLY GLY C . n +C 3 205 TRP 205 223 223 TRP TRP C . n +C 3 206 ILE 206 224 224 ILE ILE C . n +C 3 207 VAL 207 225 225 VAL VAL C . n +C 3 208 SER 208 226 226 SER SER C . n +C 3 209 VAL 209 227 227 VAL VAL C . n +C 3 210 ASN 210 228 228 ASN ASN C . n +C 3 211 ASN 211 229 229 ASN ASN C . n +C 3 212 LEU 212 230 230 LEU LEU C . n +C 3 213 GLU 213 231 231 GLU GLU C . n +C 3 214 ASP 214 232 232 ASP ASP C . n +C 3 215 VAL 215 233 233 VAL VAL C . n +C 3 216 VAL 216 234 234 VAL VAL C . n +C 3 217 GLY 217 235 235 GLY GLY C . n +C 3 218 GLY 218 236 236 GLY GLY C . n +C 3 219 HIS 219 237 237 HIS HIS C . n +C 3 220 ILE 220 238 238 ILE ILE C . n +C 3 221 TRP 221 239 239 TRP TRP C . n +C 3 222 ILE 222 240 240 ILE ILE C . n +C 3 223 GLY 223 241 241 GLY GLY C . n +C 3 224 LEU 224 242 242 LEU LEU C . n +C 3 225 ILE 225 243 243 ILE ILE C . n +C 3 226 CYS 226 244 244 CYS CYS C . n +C 3 227 ILE 227 245 245 ILE ILE C . n +C 3 228 ALA 228 246 246 ALA ALA C . n +C 3 229 GLY 229 247 247 GLY GLY C . n +C 3 230 GLY 230 248 248 GLY GLY C . n +C 3 231 ILE 231 249 249 ILE ILE C . n +C 3 232 TRP 232 250 250 TRP TRP C . n +C 3 233 HIS 233 251 251 HIS HIS C . n +C 3 234 ILE 234 252 252 ILE ILE C . n +C 3 235 LEU 235 253 253 LEU LEU C . n +C 3 236 THR 236 254 254 THR THR C . n +C 3 237 THR 237 255 255 THR THR C . n +C 3 238 PRO 238 256 256 PRO PRO C . n +C 3 239 PHE 239 257 257 PHE PHE C . n +C 3 240 GLY 240 258 258 GLY GLY C . n +C 3 241 TRP 241 259 259 TRP TRP C . n +C 3 242 ALA 242 260 260 ALA ALA C . n +C 3 243 ARG 243 261 261 ARG ARG C . n +C 3 244 ARG 244 262 262 ARG ARG C . n +C 3 245 ALA 245 263 263 ALA ALA C . n +C 3 246 PHE 246 264 264 PHE PHE C . n +C 3 247 ILE 247 265 265 ILE ILE C . n +C 3 248 TRP 248 266 266 TRP TRP C . n +C 3 249 SER 249 267 267 SER SER C . n +C 3 250 GLY 250 268 268 GLY GLY C . n +C 3 251 GLU 251 269 269 GLU GLU C . n +C 3 252 ALA 252 270 270 ALA ALA C . n +C 3 253 TYR 253 271 271 TYR TYR C . n +C 3 254 LEU 254 272 272 LEU LEU C . n +C 3 255 SER 255 273 273 SER SER C . n +C 3 256 TYR 256 274 274 TYR TYR C . n +C 3 257 SER 257 275 275 SER SER C . n +C 3 258 LEU 258 276 276 LEU LEU C . n +C 3 259 GLY 259 277 277 GLY GLY C . n +C 3 260 ALA 260 278 278 ALA ALA C . n +C 3 261 LEU 261 279 279 LEU LEU C . n +C 3 262 SER 262 280 280 SER SER C . n +C 3 263 MET 263 281 281 MET MET C . n +C 3 264 MET 264 282 282 MET MET C . n +C 3 265 GLY 265 283 283 GLY GLY C . n +C 3 266 PHE 266 284 284 PHE PHE C . n +C 3 267 ILE 267 285 285 ILE ILE C . n +C 3 268 ALA 268 286 286 ALA ALA C . n +C 3 269 THR 269 287 287 THR THR C . n +C 3 270 CYS 270 288 288 CYS CYS C . n +C 3 271 PHE 271 289 289 PHE PHE C . n +C 3 272 VAL 272 290 290 VAL VAL C . n +C 3 273 TRP 273 291 291 TRP TRP C . n +C 3 274 PHE 274 292 292 PHE PHE C . n +C 3 275 ASN 275 293 293 ASN ASN C . n +C 3 276 ASN 276 294 294 ASN ASN C . n +C 3 277 THR 277 295 295 THR THR C . n +C 3 278 VAL 278 296 296 VAL VAL C . n +C 3 279 TYR 279 297 297 TYR TYR C . n +C 3 280 PRO 280 298 298 PRO PRO C . n +C 3 281 SER 281 299 299 SER SER C . n +C 3 282 GLU 282 300 300 GLU GLU C . n +C 3 283 PHE 283 301 301 PHE PHE C . n +C 3 284 TYR 284 302 302 TYR TYR C . n +C 3 285 GLY 285 303 303 GLY GLY C . n +C 3 286 PRO 286 304 304 PRO PRO C . n +C 3 287 THR 287 305 305 THR THR C . n +C 3 288 GLY 288 306 306 GLY GLY C . n +C 3 289 PRO 289 307 307 PRO PRO C . n +C 3 290 GLU 290 308 308 GLU GLU C . n +C 3 291 ALA 291 309 309 ALA ALA C . n +C 3 292 SER 292 310 310 SER SER C . n +C 3 293 GLN 293 311 311 GLN GLN C . n +C 3 294 ALA 294 312 312 ALA ALA C . n +C 3 295 GLN 295 313 313 GLN GLN C . n +C 3 296 ALA 296 314 314 ALA ALA C . n +C 3 297 MET 297 315 315 MET MET C . n +C 3 298 THR 298 316 316 THR THR C . n +C 3 299 PHE 299 317 317 PHE PHE C . n +C 3 300 LEU 300 318 318 LEU LEU C . n +C 3 301 ILE 301 319 319 ILE ILE C . n +C 3 302 ARG 302 320 320 ARG ARG C . n +C 3 303 ASP 303 321 321 ASP ASP C . n +C 3 304 GLN 304 322 322 GLN GLN C . n +C 3 305 LYS 305 323 323 LYS LYS C . n +C 3 306 LEU 306 324 324 LEU LEU C . n +C 3 307 GLY 307 325 325 GLY GLY C . n +C 3 308 ALA 308 326 326 ALA ALA C . n +C 3 309 ASN 309 327 327 ASN ASN C . n +C 3 310 VAL 310 328 328 VAL VAL C . n +C 3 311 GLY 311 329 329 GLY GLY C . n +C 3 312 SER 312 330 330 SER SER C . n +C 3 313 ALA 313 331 331 ALA ALA C . n +C 3 314 GLN 314 332 332 GLN GLN C . n +C 3 315 GLY 315 333 333 GLY GLY C . n +C 3 316 PRO 316 334 334 PRO PRO C . n +C 3 317 THR 317 335 335 THR THR C . n +C 3 318 GLY 318 336 336 GLY GLY C . n +C 3 319 LEU 319 337 337 LEU LEU C . n +C 3 320 GLY 320 338 338 GLY GLY C . n +C 3 321 LYS 321 339 339 LYS LYS C . n +C 3 322 TYR 322 340 340 TYR TYR C . n +C 3 323 LEU 323 341 341 LEU LEU C . n +C 3 324 MET 324 342 342 MET MET C . n +C 3 325 ARG 325 343 343 ARG ARG C . n +C 3 326 SER 326 344 344 SER SER C . n +C 3 327 PRO 327 345 345 PRO PRO C . n +C 3 328 THR 328 346 346 THR THR C . n +C 3 329 GLY 329 347 347 GLY GLY C . n +C 3 330 GLU 330 348 348 GLU GLU C . n +C 3 331 ILE 331 349 349 ILE ILE C . n +C 3 332 ILE 332 350 350 ILE ILE C . n +C 3 333 PHE 333 351 351 PHE PHE C . n +C 3 334 GLY 334 352 352 GLY GLY C . n +C 3 335 GLY 335 353 353 GLY GLY C . n +C 3 336 GLU 336 354 354 GLU GLU C . n +C 3 337 THR 337 355 355 THR THR C . n +C 3 338 MET 338 356 356 MET MET C . n +C 3 339 ARG 339 357 357 ARG ARG C . n +C 3 340 PHE 340 358 358 PHE PHE C . n +C 3 341 TRP 341 359 359 TRP TRP C . n +C 3 342 ASP 342 360 360 ASP ASP C . n +C 3 343 PHE 343 361 361 PHE PHE C . n +C 3 344 ARG 344 362 362 ARG ARG C . n +C 3 345 GLY 345 363 363 GLY GLY C . n +C 3 346 PRO 346 364 364 PRO PRO C . n +C 3 347 TRP 347 365 365 TRP TRP C . n +C 3 348 LEU 348 366 366 LEU LEU C . n +C 3 349 GLU 349 367 367 GLU GLU C . n +C 3 350 PRO 350 368 368 PRO PRO C . n +C 3 351 LEU 351 369 369 LEU LEU C . n +C 3 352 ARG 352 370 370 ARG ARG C . n +C 3 353 GLY 353 371 371 GLY GLY C . n +C 3 354 PRO 354 372 372 PRO PRO C . n +C 3 355 ASN 355 373 373 ASN ASN C . n +C 3 356 GLY 356 374 374 GLY GLY C . n +C 3 357 LEU 357 375 375 LEU LEU C . n +C 3 358 ASP 358 376 376 ASP ASP C . n +C 3 359 LEU 359 377 377 LEU LEU C . n +C 3 360 ASN 360 378 378 ASN ASN C . n +C 3 361 LYS 361 379 379 LYS LYS C . n +C 3 362 ILE 362 380 380 ILE ILE C . n +C 3 363 LYS 363 381 381 LYS LYS C . n +C 3 364 ASN 364 382 382 ASN ASN C . n +C 3 365 ASP 365 383 383 ASP ASP C . n +C 3 366 ILE 366 384 384 ILE ILE C . n +C 3 367 GLN 367 385 385 GLN GLN C . n +C 3 368 PRO 368 386 386 PRO PRO C . n +C 3 369 TRP 369 387 387 TRP TRP C . n +C 3 370 GLN 370 388 388 GLN GLN C . n +C 3 371 GLU 371 389 389 GLU GLU C . n +C 3 372 ARG 372 390 390 ARG ARG C . n +C 3 373 ARG 373 391 391 ARG ARG C . n +C 3 374 ALA 374 392 392 ALA ALA C . n +C 3 375 ALA 375 393 393 ALA ALA C . n +C 3 376 GLU 376 394 394 GLU GLU C . n +C 3 377 TYR 377 395 395 TYR TYR C . n +C 3 378 MET 378 396 396 MET MET C . n +C 3 379 THR 379 397 397 THR THR C . n +C 3 380 HIS 380 398 398 HIS HIS C . n +C 3 381 ALA 381 399 399 ALA ALA C . n +C 3 382 PRO 382 400 400 PRO PRO C . n +C 3 383 LEU 383 401 401 LEU LEU C . n +C 3 384 GLY 384 402 402 GLY GLY C . n +C 3 385 SER 385 403 403 SER SER C . n +C 3 386 LEU 386 404 404 LEU LEU C . n +C 3 387 ASN 387 405 405 ASN ASN C . n +C 3 388 SER 388 406 406 SER SER C . n +C 3 389 VAL 389 407 407 VAL VAL C . n +C 3 390 GLY 390 408 408 GLY GLY C . n +C 3 391 GLY 391 409 409 GLY GLY C . n +C 3 392 VAL 392 410 410 VAL VAL C . n +C 3 393 ALA 393 411 411 ALA ALA C . n +C 3 394 THR 394 412 412 THR THR C . n +C 3 395 GLU 395 413 413 GLU GLU C . n +C 3 396 ILE 396 414 414 ILE ILE C . n +C 3 397 ASN 397 415 415 ASN ASN C . n +C 3 398 SER 398 416 416 SER SER C . n +C 3 399 VAL 399 417 417 VAL VAL C . n +C 3 400 ASN 400 418 418 ASN ASN C . n +C 3 401 PHE 401 419 419 PHE PHE C . n +C 3 402 VAL 402 420 420 VAL VAL C . n +C 3 403 SER 403 421 421 SER SER C . n +C 3 404 PRO 404 422 422 PRO PRO C . n +C 3 405 ARG 405 423 423 ARG ARG C . n +C 3 406 SER 406 424 424 SER SER C . n +C 3 407 TRP 407 425 425 TRP TRP C . n +C 3 408 LEU 408 426 426 LEU LEU C . n +C 3 409 ALA 409 427 427 ALA ALA C . n +C 3 410 THR 410 428 428 THR THR C . n +C 3 411 SER 411 429 429 SER SER C . n +C 3 412 HIS 412 430 430 HIS HIS C . n +C 3 413 PHE 413 431 431 PHE PHE C . n +C 3 414 VAL 414 432 432 VAL VAL C . n +C 3 415 LEU 415 433 433 LEU LEU C . n +C 3 416 ALA 416 434 434 ALA ALA C . n +C 3 417 PHE 417 435 435 PHE PHE C . n +C 3 418 PHE 418 436 436 PHE PHE C . n +C 3 419 PHE 419 437 437 PHE PHE C . n +C 3 420 LEU 420 438 438 LEU LEU C . n +C 3 421 VAL 421 439 439 VAL VAL C . n +C 3 422 GLY 422 440 440 GLY GLY C . n +C 3 423 HIS 423 441 441 HIS HIS C . n +C 3 424 LEU 424 442 442 LEU LEU C . n +C 3 425 TRP 425 443 443 TRP TRP C . n +C 3 426 HIS 426 444 444 HIS HIS C . n +C 3 427 ALA 427 445 445 ALA ALA C . n +C 3 428 GLY 428 446 446 GLY GLY C . n +C 3 429 ARG 429 447 447 ARG ARG C . n +C 3 430 ALA 430 448 448 ALA ALA C . n +C 3 431 ARG 431 449 449 ARG ARG C . n +C 3 432 ALA 432 450 450 ALA ALA C . n +C 3 433 ALA 433 451 451 ALA ALA C . n +C 3 434 ALA 434 452 452 ALA ALA C . n +C 3 435 ALA 435 453 453 ALA ALA C . n +C 3 436 GLY 436 454 454 GLY GLY C . n +C 3 437 PHE 437 455 455 PHE PHE C . n +C 3 438 GLU 438 456 456 GLU GLU C . n +C 3 439 LYS 439 457 457 LYS LYS C . n +C 3 440 GLY 440 458 458 GLY GLY C . n +C 3 441 ILE 441 459 459 ILE ILE C . n +C 3 442 ASP 442 460 460 ASP ASP C . n +C 3 443 ARG 443 461 461 ARG ARG C . n +C 3 444 GLU 444 462 462 GLU GLU C . n +C 3 445 SER 445 463 463 SER SER C . n +C 3 446 GLU 446 464 464 GLU GLU C . n +C 3 447 PRO 447 465 465 PRO PRO C . n +C 3 448 VAL 448 466 466 VAL VAL C . n +C 3 449 LEU 449 467 467 LEU LEU C . n +C 3 450 SER 450 468 468 SER SER C . n +C 3 451 MET 451 469 469 MET MET C . n +C 3 452 PRO 452 470 470 PRO PRO C . n +C 3 453 SER 453 471 471 SER SER C . n +C 3 454 LEU 454 472 472 LEU LEU C . n +C 3 455 ASP 455 473 473 ASP ASP C . n +D 4 1 GLU 1 11 11 GLU GLU D . n +D 4 2 ARG 2 12 12 ARG ARG D . n +D 4 3 GLY 3 13 13 GLY GLY D . n +D 4 4 TRP 4 14 14 TRP TRP D . n +D 4 5 PHE 5 15 15 PHE PHE D . n +D 4 6 ASP 6 16 16 ASP ASP D . n +D 4 7 ILE 7 17 17 ILE ILE D . n +D 4 8 LEU 8 18 18 LEU LEU D . n +D 4 9 ASP 9 19 19 ASP ASP D . n +D 4 10 ASP 10 20 20 ASP ASP D . n +D 4 11 TRP 11 21 21 TRP TRP D . n +D 4 12 LEU 12 22 22 LEU LEU D . n +D 4 13 LYS 13 23 23 LYS LYS D . n +D 4 14 ARG 14 24 24 ARG ARG D . n +D 4 15 ASP 15 25 25 ASP ASP D . n +D 4 16 ARG 16 26 26 ARG ARG D . n +D 4 17 PHE 17 27 27 PHE PHE D . n +D 4 18 VAL 18 28 28 VAL VAL D . n +D 4 19 PHE 19 29 29 PHE PHE D . n +D 4 20 VAL 20 30 30 VAL VAL D . n +D 4 21 GLY 21 31 31 GLY GLY D . n +D 4 22 TRP 22 32 32 TRP TRP D . n +D 4 23 SER 23 33 33 SER SER D . n +D 4 24 GLY 24 34 34 GLY GLY D . n +D 4 25 ILE 25 35 35 ILE ILE D . n +D 4 26 LEU 26 36 36 LEU LEU D . n +D 4 27 LEU 27 37 37 LEU LEU D . n +D 4 28 PHE 28 38 38 PHE PHE D . n +D 4 29 PRO 29 39 39 PRO PRO D . n +D 4 30 CYS 30 40 40 CYS CYS D . n +D 4 31 ALA 31 41 41 ALA ALA D . n +D 4 32 TYR 32 42 42 TYR TYR D . n +D 4 33 LEU 33 43 43 LEU LEU D . n +D 4 34 ALA 34 44 44 ALA ALA D . n +D 4 35 LEU 35 45 45 LEU LEU D . n +D 4 36 GLY 36 46 46 GLY GLY D . n +D 4 37 GLY 37 47 47 GLY GLY D . n +D 4 38 TRP 38 48 48 TRP TRP D . n +D 4 39 LEU 39 49 49 LEU LEU D . n +D 4 40 THR 40 50 50 THR THR D . n +D 4 41 GLY 41 51 51 GLY GLY D . n +D 4 42 THR 42 52 52 THR THR D . n +D 4 43 THR 43 53 53 THR THR D . n +D 4 44 PHE 44 54 54 PHE PHE D . n +D 4 45 VAL 45 55 55 VAL VAL D . n +D 4 46 THR 46 56 56 THR THR D . n +D 4 47 SER 47 57 57 SER SER D . n +D 4 48 TRP 48 58 58 TRP TRP D . n +D 4 49 TYR 49 59 59 TYR TYR D . n +D 4 50 THR 50 60 60 THR THR D . n +D 4 51 HIS 51 61 61 HIS HIS D . n +D 4 52 GLY 52 62 62 GLY GLY D . n +D 4 53 LEU 53 63 63 LEU LEU D . n +D 4 54 ALA 54 64 64 ALA ALA D . n +D 4 55 SER 55 65 65 SER SER D . n +D 4 56 SER 56 66 66 SER SER D . n +D 4 57 TYR 57 67 67 TYR TYR D . n +D 4 58 LEU 58 68 68 LEU LEU D . n +D 4 59 GLU 59 69 69 GLU GLU D . n +D 4 60 GLY 60 70 70 GLY GLY D . n +D 4 61 CYS 61 71 71 CYS CYS D . n +D 4 62 ASN 62 72 72 ASN ASN D . n +D 4 63 PHE 63 73 73 PHE PHE D . n +D 4 64 LEU 64 74 74 LEU LEU D . n +D 4 65 THR 65 75 75 THR THR D . n +D 4 66 VAL 66 76 76 VAL VAL D . n +D 4 67 ALA 67 77 77 ALA ALA D . n +D 4 68 VAL 68 78 78 VAL VAL D . n +D 4 69 SER 69 79 79 SER SER D . n +D 4 70 THR 70 80 80 THR THR D . n +D 4 71 PRO 71 81 81 PRO PRO D . n +D 4 72 ALA 72 82 82 ALA ALA D . n +D 4 73 ASN 73 83 83 ASN ASN D . n +D 4 74 SER 74 84 84 SER SER D . n +D 4 75 MET 75 85 85 MET MET D . n +D 4 76 GLY 76 86 86 GLY GLY D . n +D 4 77 HIS 77 87 87 HIS HIS D . n +D 4 78 SER 78 88 88 SER SER D . n +D 4 79 LEU 79 89 89 LEU LEU D . n +D 4 80 LEU 80 90 90 LEU LEU D . n +D 4 81 LEU 81 91 91 LEU LEU D . n +D 4 82 LEU 82 92 92 LEU LEU D . n +D 4 83 TRP 83 93 93 TRP TRP D . n +D 4 84 GLY 84 94 94 GLY GLY D . n +D 4 85 PRO 85 95 95 PRO PRO D . n +D 4 86 GLU 86 96 96 GLU GLU D . n +D 4 87 ALA 87 97 97 ALA ALA D . n +D 4 88 GLN 88 98 98 GLN GLN D . n +D 4 89 GLY 89 99 99 GLY GLY D . n +D 4 90 ASP 90 100 100 ASP ASP D . n +D 4 91 PHE 91 101 101 PHE PHE D . n +D 4 92 THR 92 102 102 THR THR D . n +D 4 93 ARG 93 103 103 ARG ARG D . n +D 4 94 TRP 94 104 104 TRP TRP D . n +D 4 95 CYS 95 105 105 CYS CYS D . n +D 4 96 GLN 96 106 106 GLN GLN D . n +D 4 97 LEU 97 107 107 LEU LEU D . n +D 4 98 GLY 98 108 108 GLY GLY D . n +D 4 99 GLY 99 109 109 GLY GLY D . n +D 4 100 LEU 100 110 110 LEU LEU D . n +D 4 101 TRP 101 111 111 TRP TRP D . n +D 4 102 THR 102 112 112 THR THR D . n +D 4 103 PHE 103 113 113 PHE PHE D . n +D 4 104 ILE 104 114 114 ILE ILE D . n +D 4 105 ALA 105 115 115 ALA ALA D . n +D 4 106 LEU 106 116 116 LEU LEU D . n +D 4 107 HIS 107 117 117 HIS HIS D . n +D 4 108 GLY 108 118 118 GLY GLY D . n +D 4 109 ALA 109 119 119 ALA ALA D . n +D 4 110 PHE 110 120 120 PHE PHE D . n +D 4 111 GLY 111 121 121 GLY GLY D . n +D 4 112 LEU 112 122 122 LEU LEU D . n +D 4 113 ILE 113 123 123 ILE ILE D . n +D 4 114 GLY 114 124 124 GLY GLY D . n +D 4 115 PHE 115 125 125 PHE PHE D . n +D 4 116 MET 116 126 126 MET MET D . n +D 4 117 LEU 117 127 127 LEU LEU D . n +D 4 118 ARG 118 128 128 ARG ARG D . n +D 4 119 GLN 119 129 129 GLN GLN D . n +D 4 120 PHE 120 130 130 PHE PHE D . n +D 4 121 GLU 121 131 131 GLU GLU D . n +D 4 122 ILE 122 132 132 ILE ILE D . n +D 4 123 ALA 123 133 133 ALA ALA D . n +D 4 124 ARG 124 134 134 ARG ARG D . n +D 4 125 LEU 125 135 135 LEU LEU D . n +D 4 126 VAL 126 136 136 VAL VAL D . n +D 4 127 GLY 127 137 137 GLY GLY D . n +D 4 128 VAL 128 138 138 VAL VAL D . n +D 4 129 ARG 129 139 139 ARG ARG D . n +D 4 130 PRO 130 140 140 PRO PRO D . n +D 4 131 TYR 131 141 141 TYR TYR D . n +D 4 132 ASN 132 142 142 ASN ASN D . n +D 4 133 ALA 133 143 143 ALA ALA D . n +D 4 134 ILE 134 144 144 ILE ILE D . n +D 4 135 ALA 135 145 145 ALA ALA D . n +D 4 136 PHE 136 146 146 PHE PHE D . n +D 4 137 SER 137 147 147 SER SER D . n +D 4 138 ALA 138 148 148 ALA ALA D . n +D 4 139 PRO 139 149 149 PRO PRO D . n +D 4 140 ILE 140 150 150 ILE ILE D . n +D 4 141 ALA 141 151 151 ALA ALA D . n +D 4 142 VAL 142 152 152 VAL VAL D . n +D 4 143 PHE 143 153 153 PHE PHE D . n +D 4 144 VAL 144 154 154 VAL VAL D . n +D 4 145 SER 145 155 155 SER SER D . n +D 4 146 VAL 146 156 156 VAL VAL D . n +D 4 147 PHE 147 157 157 PHE PHE D . n +D 4 148 LEU 148 158 158 LEU LEU D . n +D 4 149 ILE 149 159 159 ILE ILE D . n +D 4 150 TYR 150 160 160 TYR TYR D . n +D 4 151 PRO 151 161 161 PRO PRO D . n +D 4 152 LEU 152 162 162 LEU LEU D . n +D 4 153 GLY 153 163 163 GLY GLY D . n +D 4 154 GLN 154 164 164 GLN GLN D . n +D 4 155 SER 155 165 165 SER SER D . n +D 4 156 SER 156 166 166 SER SER D . n +D 4 157 TRP 157 167 167 TRP TRP D . n +D 4 158 PHE 158 168 168 PHE PHE D . n +D 4 159 PHE 159 169 169 PHE PHE D . n +D 4 160 ALA 160 170 170 ALA ALA D . n +D 4 161 PRO 161 171 171 PRO PRO D . n +D 4 162 SER 162 172 172 SER SER D . n +D 4 163 PHE 163 173 173 PHE PHE D . n +D 4 164 GLY 164 174 174 GLY GLY D . n +D 4 165 VAL 165 175 175 VAL VAL D . n +D 4 166 ALA 166 176 176 ALA ALA D . n +D 4 167 ALA 167 177 177 ALA ALA D . n +D 4 168 ILE 168 178 178 ILE ILE D . n +D 4 169 PHE 169 179 179 PHE PHE D . n +D 4 170 ARG 170 180 180 ARG ARG D . n +D 4 171 PHE 171 181 181 PHE PHE D . n +D 4 172 LEU 172 182 182 LEU LEU D . n +D 4 173 LEU 173 183 183 LEU LEU D . n +D 4 174 PHE 174 184 184 PHE PHE D . n +D 4 175 PHE 175 185 185 PHE PHE D . n +D 4 176 GLN 176 186 186 GLN GLN D . n +D 4 177 GLY 177 187 187 GLY GLY D . n +D 4 178 PHE 178 188 188 PHE PHE D . n +D 4 179 HIS 179 189 189 HIS HIS D . n +D 4 180 ASN 180 190 190 ASN ASN D . n +D 4 181 TRP 181 191 191 TRP TRP D . n +D 4 182 THR 182 192 192 THR THR D . n +D 4 183 LEU 183 193 193 LEU LEU D . n +D 4 184 ASN 184 194 194 ASN ASN D . n +D 4 185 PRO 185 195 195 PRO PRO D . n +D 4 186 PHE 186 196 196 PHE PHE D . n +D 4 187 HIS 187 197 197 HIS HIS D . n +D 4 188 MET 188 198 198 MET MET D . n +D 4 189 MET 189 199 199 MET MET D . n +D 4 190 GLY 190 200 200 GLY GLY D . n +D 4 191 VAL 191 201 201 VAL VAL D . n +D 4 192 ALA 192 202 202 ALA ALA D . n +D 4 193 GLY 193 203 203 GLY GLY D . n +D 4 194 VAL 194 204 204 VAL VAL D . n +D 4 195 LEU 195 205 205 LEU LEU D . n +D 4 196 GLY 196 206 206 GLY GLY D . n +D 4 197 GLY 197 207 207 GLY GLY D . n +D 4 198 ALA 198 208 208 ALA ALA D . n +D 4 199 LEU 199 209 209 LEU LEU D . n +D 4 200 LEU 200 210 210 LEU LEU D . n +D 4 201 CYS 201 211 211 CYS CYS D . n +D 4 202 ALA 202 212 212 ALA ALA D . n +D 4 203 ILE 203 213 213 ILE ILE D . n +D 4 204 HIS 204 214 214 HIS HIS D . n +D 4 205 GLY 205 215 215 GLY GLY D . n +D 4 206 ALA 206 216 216 ALA ALA D . n +D 4 207 THR 207 217 217 THR THR D . n +D 4 208 VAL 208 218 218 VAL VAL D . n +D 4 209 GLU 209 219 219 GLU GLU D . n +D 4 210 ASN 210 220 220 ASN ASN D . n +D 4 211 THR 211 221 221 THR THR D . n +D 4 212 LEU 212 222 222 LEU LEU D . n +D 4 213 PHE 213 223 223 PHE PHE D . n +D 4 214 GLN 214 224 224 GLN GLN D . n +D 4 215 ASP 215 225 225 ASP ASP D . n +D 4 216 GLY 216 226 226 GLY GLY D . n +D 4 217 GLU 217 227 227 GLU GLU D . n +D 4 218 GLY 218 228 228 GLY GLY D . n +D 4 219 ALA 219 229 229 ALA ALA D . n +D 4 220 SER 220 230 230 SER SER D . n +D 4 221 THR 221 231 231 THR THR D . n +D 4 222 PHE 222 232 232 PHE PHE D . n +D 4 223 ARG 223 233 233 ARG ARG D . n +D 4 224 ALA 224 234 234 ALA ALA D . n +D 4 225 PHE 225 235 235 PHE PHE D . n +D 4 226 ASN 226 236 236 ASN ASN D . n +D 4 227 PRO 227 237 237 PRO PRO D . n +D 4 228 THR 228 238 238 THR THR D . n +D 4 229 GLN 229 239 239 GLN GLN D . n +D 4 230 ALA 230 240 240 ALA ALA D . n +D 4 231 GLU 231 241 241 GLU GLU D . n +D 4 232 GLU 232 242 242 GLU GLU D . n +D 4 233 THR 233 243 243 THR THR D . n +D 4 234 TYR 234 244 244 TYR TYR D . n +D 4 235 SER 235 245 245 SER SER D . n +D 4 236 MET 236 246 246 MET MET D . n +D 4 237 VAL 237 247 247 VAL VAL D . n +D 4 238 THR 238 248 248 THR THR D . n +D 4 239 ALA 239 249 249 ALA ALA D . n +D 4 240 ASN 240 250 250 ASN ASN D . n +D 4 241 ARG 241 251 251 ARG ARG D . n +D 4 242 PHE 242 252 252 PHE PHE D . n +D 4 243 TRP 243 253 253 TRP TRP D . n +D 4 244 SER 244 254 254 SER SER D . n +D 4 245 GLN 245 255 255 GLN GLN D . n +D 4 246 ILE 246 256 256 ILE ILE D . n +D 4 247 PHE 247 257 257 PHE PHE D . n +D 4 248 GLY 248 258 258 GLY GLY D . n +D 4 249 ILE 249 259 259 ILE ILE D . n +D 4 250 ALA 250 260 260 ALA ALA D . n +D 4 251 PHE 251 261 261 PHE PHE D . n +D 4 252 SER 252 262 262 SER SER D . n +D 4 253 ASN 253 263 263 ASN ASN D . n +D 4 254 LYS 254 264 264 LYS LYS D . n +D 4 255 ARG 255 265 265 ARG ARG D . n +D 4 256 TRP 256 266 266 TRP TRP D . n +D 4 257 LEU 257 267 267 LEU LEU D . n +D 4 258 HIS 258 268 268 HIS HIS D . n +D 4 259 PHE 259 269 269 PHE PHE D . n +D 4 260 PHE 260 270 270 PHE PHE D . n +D 4 261 MET 261 271 271 MET MET D . n +D 4 262 LEU 262 272 272 LEU LEU D . n +D 4 263 PHE 263 273 273 PHE PHE D . n +D 4 264 VAL 264 274 274 VAL VAL D . n +D 4 265 PRO 265 275 275 PRO PRO D . n +D 4 266 VAL 266 276 276 VAL VAL D . n +D 4 267 THR 267 277 277 THR THR D . n +D 4 268 GLY 268 278 278 GLY GLY D . n +D 4 269 LEU 269 279 279 LEU LEU D . n +D 4 270 TRP 270 280 280 TRP TRP D . n +D 4 271 MET 271 281 281 MET MET D . n +D 4 272 SER 272 282 282 SER SER D . n +D 4 273 ALA 273 283 283 ALA ALA D . n +D 4 274 ILE 274 284 284 ILE ILE D . n +D 4 275 GLY 275 285 285 GLY GLY D . n +D 4 276 VAL 276 286 286 VAL VAL D . n +D 4 277 VAL 277 287 287 VAL VAL D . n +D 4 278 GLY 278 288 288 GLY GLY D . n +D 4 279 LEU 279 289 289 LEU LEU D . n +D 4 280 ALA 280 290 290 ALA ALA D . n +D 4 281 LEU 281 291 291 LEU LEU D . n +D 4 282 ASN 282 292 292 ASN ASN D . n +D 4 283 LEU 283 293 293 LEU LEU D . n +D 4 284 ARG 284 294 294 ARG ARG D . n +D 4 285 SER 285 295 295 SER SER D . n +D 4 286 TYR 286 296 296 TYR TYR D . n +D 4 287 ASP 287 297 297 ASP ASP D . n +D 4 288 PHE 288 298 298 PHE PHE D . n +D 4 289 ILE 289 299 299 ILE ILE D . n +D 4 290 SER 290 300 300 SER SER D . n +D 4 291 GLN 291 301 301 GLN GLN D . n +D 4 292 GLU 292 302 302 GLU GLU D . n +D 4 293 ILE 293 303 303 ILE ILE D . n +D 4 294 ARG 294 304 304 ARG ARG D . n +D 4 295 ALA 295 305 305 ALA ALA D . n +D 4 296 ALA 296 306 306 ALA ALA D . n +D 4 297 GLU 297 307 307 GLU GLU D . n +D 4 298 ASP 298 308 308 ASP ASP D . n +D 4 299 PRO 299 309 309 PRO PRO D . n +D 4 300 GLU 300 310 310 GLU GLU D . n +D 4 301 PHE 301 311 311 PHE PHE D . n +D 4 302 GLU 302 312 312 GLU GLU D . n +D 4 303 THR 303 313 313 THR THR D . n +D 4 304 PHE 304 314 314 PHE PHE D . n +D 4 305 TYR 305 315 315 TYR TYR D . n +D 4 306 THR 306 316 316 THR THR D . n +D 4 307 LYS 307 317 317 LYS LYS D . n +D 4 308 ASN 308 318 318 ASN ASN D . n +D 4 309 LEU 309 319 319 LEU LEU D . n +D 4 310 LEU 310 320 320 LEU LEU D . n +D 4 311 LEU 311 321 321 LEU LEU D . n +D 4 312 ASN 312 322 322 ASN ASN D . n +D 4 313 GLU 313 323 323 GLU GLU D . n +D 4 314 GLY 314 324 324 GLY GLY D . n +D 4 315 ILE 315 325 325 ILE ILE D . n +D 4 316 ARG 316 326 326 ARG ARG D . n +D 4 317 ALA 317 327 327 ALA ALA D . n +D 4 318 TRP 318 328 328 TRP TRP D . n +D 4 319 MET 319 329 329 MET MET D . n +D 4 320 ALA 320 330 330 ALA ALA D . n +D 4 321 PRO 321 331 331 PRO PRO D . n +D 4 322 GLN 322 332 332 GLN GLN D . n +D 4 323 ASP 323 333 333 ASP ASP D . n +D 4 324 GLN 324 334 334 GLN GLN D . n +D 4 325 PRO 325 335 335 PRO PRO D . n +D 4 326 HIS 326 336 336 HIS HIS D . n +D 4 327 GLU 327 337 337 GLU GLU D . n +D 4 328 ASN 328 338 338 ASN ASN D . n +D 4 329 PHE 329 339 339 PHE PHE D . n +D 4 330 VAL 330 340 340 VAL VAL D . n +D 4 331 PHE 331 341 341 PHE PHE D . n +D 4 332 PRO 332 342 342 PRO PRO D . n +D 4 333 GLU 333 343 343 GLU GLU D . n +D 4 334 GLU 334 344 344 GLU GLU D . n +D 4 335 VAL 335 345 345 VAL VAL D . n +D 4 336 LEU 336 346 346 LEU LEU D . n +D 4 337 PRO 337 347 347 PRO PRO D . n +D 4 338 ARG 338 348 348 ARG ARG D . n +D 4 339 GLY 339 349 349 GLY GLY D . n +D 4 340 ASN 340 350 350 ASN ASN D . n +D 4 341 ALA 341 351 351 ALA ALA D . n +D 4 342 LEU 342 352 352 LEU LEU D . n +E 5 1 MET 1 1 ? ? ? E . n +E 5 2 ALA 2 2 ? ? ? E . n +E 5 3 GLY 3 3 ? ? ? E . n +E 5 4 THR 4 4 4 THR THR E . n +E 5 5 THR 5 5 5 THR THR E . n +E 5 6 GLY 6 6 6 GLY GLY E . n +E 5 7 GLU 7 7 7 GLU GLU E . n +E 5 8 ARG 8 8 8 ARG ARG E . n +E 5 9 PRO 9 9 9 PRO PRO E . n +E 5 10 PHE 10 10 10 PHE PHE E . n +E 5 11 SER 11 11 11 SER SER E . n +E 5 12 ASP 12 12 12 ASP ASP E . n +E 5 13 ILE 13 13 13 ILE ILE E . n +E 5 14 ILE 14 14 14 ILE ILE E . n +E 5 15 THR 15 15 15 THR THR E . n +E 5 16 SER 16 16 16 SER SER E . n +E 5 17 VAL 17 17 17 VAL VAL E . n +E 5 18 ARG 18 18 18 ARG ARG E . n +E 5 19 TYR 19 19 19 TYR TYR E . n +E 5 20 TRP 20 20 20 TRP TRP E . n +E 5 21 VAL 21 21 21 VAL VAL E . n +E 5 22 ILE 22 22 22 ILE ILE E . n +E 5 23 HIS 23 23 23 HIS HIS E . n +E 5 24 SER 24 24 24 SER SER E . n +E 5 25 ILE 25 25 25 ILE ILE E . n +E 5 26 THR 26 26 26 THR THR E . n +E 5 27 ILE 27 27 27 ILE ILE E . n +E 5 28 PRO 28 28 28 PRO PRO E . n +E 5 29 ALA 29 29 29 ALA ALA E . n +E 5 30 LEU 30 30 30 LEU LEU E . n +E 5 31 PHE 31 31 31 PHE PHE E . n +E 5 32 ILE 32 32 32 ILE ILE E . n +E 5 33 ALA 33 33 33 ALA ALA E . n +E 5 34 GLY 34 34 34 GLY GLY E . n +E 5 35 TRP 35 35 35 TRP TRP E . n +E 5 36 LEU 36 36 36 LEU LEU E . n +E 5 37 PHE 37 37 37 PHE PHE E . n +E 5 38 VAL 38 38 38 VAL VAL E . n +E 5 39 SER 39 39 39 SER SER E . n +E 5 40 THR 40 40 40 THR THR E . n +E 5 41 GLY 41 41 41 GLY GLY E . n +E 5 42 LEU 42 42 42 LEU LEU E . n +E 5 43 ALA 43 43 43 ALA ALA E . n +E 5 44 TYR 44 44 44 TYR TYR E . n +E 5 45 ASP 45 45 45 ASP ASP E . n +E 5 46 VAL 46 46 46 VAL VAL E . n +E 5 47 PHE 47 47 47 PHE PHE E . n +E 5 48 GLY 48 48 48 GLY GLY E . n +E 5 49 THR 49 49 49 THR THR E . n +E 5 50 PRO 50 50 50 PRO PRO E . n +E 5 51 ARG 51 51 51 ARG ARG E . n +E 5 52 PRO 52 52 52 PRO PRO E . n +E 5 53 ASP 53 53 53 ASP ASP E . n +E 5 54 SER 54 54 54 SER SER E . n +E 5 55 TYR 55 55 55 TYR TYR E . n +E 5 56 TYR 56 56 56 TYR TYR E . n +E 5 57 ALA 57 57 57 ALA ALA E . n +E 5 58 GLN 58 58 58 GLN GLN E . n +E 5 59 GLU 59 59 59 GLU GLU E . n +E 5 60 GLN 60 60 60 GLN GLN E . n +E 5 61 ARG 61 61 61 ARG ARG E . n +E 5 62 SER 62 62 62 SER SER E . n +E 5 63 ILE 63 63 63 ILE ILE E . n +E 5 64 PRO 64 64 64 PRO PRO E . n +E 5 65 LEU 65 65 65 LEU LEU E . n +E 5 66 VAL 66 66 66 VAL VAL E . n +E 5 67 THR 67 67 67 THR THR E . n +E 5 68 ASP 68 68 68 ASP ASP E . n +E 5 69 ARG 69 69 69 ARG ARG E . n +E 5 70 PHE 70 70 70 PHE PHE E . n +E 5 71 GLU 71 71 71 GLU GLU E . n +E 5 72 ALA 72 72 72 ALA ALA E . n +E 5 73 LYS 73 73 73 LYS LYS E . n +E 5 74 GLN 74 74 74 GLN GLN E . n +E 5 75 GLN 75 75 75 GLN GLN E . n +E 5 76 VAL 76 76 76 VAL VAL E . n +E 5 77 GLU 77 77 77 GLU GLU E . n +E 5 78 THR 78 78 78 THR THR E . n +E 5 79 PHE 79 79 79 PHE PHE E . n +E 5 80 LEU 80 80 80 LEU LEU E . n +E 5 81 GLU 81 81 81 GLU GLU E . n +E 5 82 GLN 82 82 82 GLN GLN E . n +E 5 83 LEU 83 83 83 LEU LEU E . n +E 5 84 LYS 84 84 84 LYS LYS E . n +F 6 1 THR 1 2 ? ? ? F . n +F 6 2 SER 2 3 ? ? ? F . n +F 6 3 ASN 3 4 ? ? ? F . n +F 6 4 THR 4 5 ? ? ? F . n +F 6 5 PRO 5 6 ? ? ? F . n +F 6 6 ASN 6 7 ? ? ? F . n +F 6 7 GLN 7 8 ? ? ? F . n +F 6 8 GLU 8 9 ? ? ? F . n +F 6 9 PRO 9 10 ? ? ? F . n +F 6 10 VAL 10 11 ? ? ? F . n +F 6 11 SER 11 12 12 SER SER F . n +F 6 12 TYR 12 13 13 TYR TYR F . n +F 6 13 PRO 13 14 14 PRO PRO F . n +F 6 14 ILE 14 15 15 ILE ILE F . n +F 6 15 PHE 15 16 16 PHE PHE F . n +F 6 16 THR 16 17 17 THR THR F . n +F 6 17 VAL 17 18 18 VAL VAL F . n +F 6 18 ARG 18 19 19 ARG ARG F . n +F 6 19 TRP 19 20 20 TRP TRP F . n +F 6 20 VAL 20 21 21 VAL VAL F . n +F 6 21 ALA 21 22 22 ALA ALA F . n +F 6 22 VAL 22 23 23 VAL VAL F . n +F 6 23 HIS 23 24 24 HIS HIS F . n +F 6 24 THR 24 25 25 THR THR F . n +F 6 25 LEU 25 26 26 LEU LEU F . n +F 6 26 ALA 26 27 27 ALA ALA F . n +F 6 27 VAL 27 28 28 VAL VAL F . n +F 6 28 PRO 28 29 29 PRO PRO F . n +F 6 29 THR 29 30 30 THR THR F . n +F 6 30 ILE 30 31 31 ILE ILE F . n +F 6 31 PHE 31 32 32 PHE PHE F . n +F 6 32 PHE 32 33 33 PHE PHE F . n +F 6 33 LEU 33 34 34 LEU LEU F . n +F 6 34 GLY 34 35 35 GLY GLY F . n +F 6 35 ALA 35 36 36 ALA ALA F . n +F 6 36 ILE 36 37 37 ILE ILE F . n +F 6 37 ALA 37 38 38 ALA ALA F . n +F 6 38 ALA 38 39 39 ALA ALA F . n +F 6 39 MET 39 40 40 MET MET F . n +F 6 40 GLN 40 41 41 GLN GLN F . n +F 6 41 PHE 41 42 42 PHE PHE F . n +F 6 42 ILE 42 43 43 ILE ILE F . n +F 6 43 GLN 43 44 44 GLN GLN F . n +F 6 44 ARG 44 45 45 ARG ARG F . n +G 7 1 ALA 1 2 2 ALA ALA H . n +G 7 2 ARG 2 3 3 ARG ARG H . n +G 7 3 ARG 3 4 4 ARG ARG H . n +G 7 4 THR 4 5 5 THR THR H . n +G 7 5 TRP 5 6 6 TRP TRP H . n +G 7 6 LEU 6 7 7 LEU LEU H . n +G 7 7 GLY 7 8 8 GLY GLY H . n +G 7 8 ASP 8 9 9 ASP ASP H . n +G 7 9 ILE 9 10 10 ILE ILE H . n +G 7 10 LEU 10 11 11 LEU LEU H . n +G 7 11 ARG 11 12 12 ARG ARG H . n +G 7 12 PRO 12 13 13 PRO PRO H . n +G 7 13 LEU 13 14 14 LEU LEU H . n +G 7 14 ASN 14 15 15 ASN ASN H . n +G 7 15 SER 15 16 16 SER SER H . n +G 7 16 GLU 16 17 17 GLU GLU H . n +G 7 17 TYR 17 18 18 TYR TYR H . n +G 7 18 GLY 18 19 19 GLY GLY H . n +G 7 19 LYS 19 20 20 LYS LYS H . n +G 7 20 VAL 20 21 21 VAL VAL H . n +G 7 21 ALA 21 22 22 ALA ALA H . n +G 7 22 PRO 22 23 23 PRO PRO H . n +G 7 23 GLY 23 24 24 GLY GLY H . n +G 7 24 TRP 24 25 25 TRP TRP H . n +G 7 25 GLY 25 26 26 GLY GLY H . n +G 7 26 THR 26 27 27 THR THR H . n +G 7 27 THR 27 28 28 THR THR H . n +G 7 28 PRO 28 29 29 PRO PRO H . n +G 7 29 LEU 29 30 30 LEU LEU H . n +G 7 30 MET 30 31 31 MET MET H . n +G 7 31 ALA 31 32 32 ALA ALA H . n +G 7 32 VAL 32 33 33 VAL VAL H . n +G 7 33 PHE 33 34 34 PHE PHE H . n +G 7 34 MET 34 35 35 MET MET H . n +G 7 35 GLY 35 36 36 GLY GLY H . n +G 7 36 LEU 36 37 37 LEU LEU H . n +G 7 37 PHE 37 38 38 PHE PHE H . n +G 7 38 LEU 38 39 39 LEU LEU H . n +G 7 39 VAL 39 40 40 VAL VAL H . n +G 7 40 PHE 40 41 41 PHE PHE H . n +G 7 41 LEU 41 42 42 LEU LEU H . n +G 7 42 LEU 42 43 43 LEU LEU H . n +G 7 43 ILE 43 44 44 ILE ILE H . n +G 7 44 ILE 44 45 45 ILE ILE H . n +G 7 45 LEU 45 46 46 LEU LEU H . n +G 7 46 GLU 46 47 47 GLU GLU H . n +G 7 47 ILE 47 48 48 ILE ILE H . n +G 7 48 TYR 48 49 49 TYR TYR H . n +G 7 49 ASN 49 50 50 ASN ASN H . n +G 7 50 SER 50 51 51 SER SER H . n +G 7 51 THR 51 52 52 THR THR H . n +G 7 52 LEU 52 53 53 LEU LEU H . n +G 7 53 ILE 53 54 54 ILE ILE H . n +G 7 54 LEU 54 55 55 LEU LEU H . n +G 7 55 ASP 55 56 56 ASP ASP H . n +G 7 56 GLY 56 57 57 GLY GLY H . n +G 7 57 VAL 57 58 58 VAL VAL H . n +G 7 58 ASN 58 59 59 ASN ASN H . n +G 7 59 VAL 59 60 60 VAL VAL H . n +G 7 60 SER 60 61 61 SER SER H . n +G 7 61 TRP 61 62 62 TRP TRP H . n +G 7 62 LYS 62 63 63 LYS LYS H . n +G 7 63 ALA 63 64 64 ALA ALA H . n +G 7 64 LEU 64 65 65 LEU LEU H . n +G 7 65 GLY 65 66 ? ? ? H . n +H 8 1 FME 1 1 1 FME FME I . n +H 8 2 GLU 2 2 2 GLU GLU I . n +H 8 3 THR 3 3 3 THR THR I . n +H 8 4 LEU 4 4 4 LEU LEU I . n +H 8 5 LYS 5 5 5 LYS LYS I . n +H 8 6 ILE 6 6 6 ILE ILE I . n +H 8 7 THR 7 7 7 THR THR I . n +H 8 8 VAL 8 8 8 VAL VAL I . n +H 8 9 TYR 9 9 9 TYR TYR I . n +H 8 10 ILE 10 10 10 ILE ILE I . n +H 8 11 VAL 11 11 11 VAL VAL I . n +H 8 12 VAL 12 12 12 VAL VAL I . n +H 8 13 THR 13 13 13 THR THR I . n +H 8 14 PHE 14 14 14 PHE PHE I . n +H 8 15 PHE 15 15 15 PHE PHE I . n +H 8 16 VAL 16 16 16 VAL VAL I . n +H 8 17 LEU 17 17 17 LEU LEU I . n +H 8 18 LEU 18 18 18 LEU LEU I . n +H 8 19 PHE 19 19 19 PHE PHE I . n +H 8 20 VAL 20 20 20 VAL VAL I . n +H 8 21 PHE 21 21 21 PHE PHE I . n +H 8 22 GLY 22 22 22 GLY GLY I . n +H 8 23 PHE 23 23 23 PHE PHE I . n +H 8 24 LEU 24 24 24 LEU LEU I . n +H 8 25 SER 25 25 25 SER SER I . n +H 8 26 GLY 26 26 26 GLY GLY I . n +H 8 27 ASP 27 27 27 ASP ASP I . n +H 8 28 PRO 28 28 28 PRO PRO I . n +H 8 29 ALA 29 29 29 ALA ALA I . n +H 8 30 ARG 30 30 30 ARG ARG I . n +H 8 31 ASN 31 31 31 ASN ASN I . n +H 8 32 PRO 32 32 32 PRO PRO I . n +H 8 33 LYS 33 33 33 LYS LYS I . n +H 8 34 ARG 34 34 34 ARG ARG I . n +H 8 35 LYS 35 35 35 LYS LYS I . n +H 8 36 ASP 36 36 36 ASP ASP I . n +H 8 37 LEU 37 37 37 LEU LEU I . n +H 8 38 GLU 38 38 38 GLU GLU I . n +I 9 1 MET 1 1 ? ? ? J . n +I 9 2 SER 2 2 2 SER SER J . n +I 9 3 GLU 3 3 3 GLU GLU J . n +I 9 4 GLY 4 4 4 GLY GLY J . n +I 9 5 GLY 5 5 5 GLY GLY J . n +I 9 6 ARG 6 6 6 ARG ARG J . n +I 9 7 ILE 7 7 7 ILE ILE J . n +I 9 8 PRO 8 8 8 PRO PRO J . n +I 9 9 LEU 9 9 9 LEU LEU J . n +I 9 10 TRP 10 10 10 TRP TRP J . n +I 9 11 ILE 11 11 11 ILE ILE J . n +I 9 12 VAL 12 12 12 VAL VAL J . n +I 9 13 ALA 13 13 13 ALA ALA J . n +I 9 14 THR 14 14 14 THR THR J . n +I 9 15 VAL 15 15 15 VAL VAL J . n +I 9 16 ALA 16 16 16 ALA ALA J . n +I 9 17 GLY 17 17 17 GLY GLY J . n +I 9 18 MET 18 18 18 MET MET J . n +I 9 19 GLY 19 19 19 GLY GLY J . n +I 9 20 VAL 20 20 20 VAL VAL J . n +I 9 21 ILE 21 21 21 ILE ILE J . n +I 9 22 VAL 22 22 22 VAL VAL J . n +I 9 23 ILE 23 23 23 ILE ILE J . n +I 9 24 VAL 24 24 24 VAL VAL J . n +I 9 25 GLY 25 25 25 GLY GLY J . n +I 9 26 LEU 26 26 26 LEU LEU J . n +I 9 27 PHE 27 27 27 PHE PHE J . n +I 9 28 PHE 28 28 28 PHE PHE J . n +I 9 29 TYR 29 29 29 TYR TYR J . n +I 9 30 GLY 30 30 30 GLY GLY J . n +I 9 31 ALA 31 31 31 ALA ALA J . n +I 9 32 TYR 32 32 32 TYR TYR J . n +I 9 33 ALA 33 33 33 ALA ALA J . n +I 9 34 GLY 34 34 34 GLY GLY J . n +I 9 35 LEU 35 35 35 LEU LEU J . n +I 9 36 GLY 36 36 36 GLY GLY J . n +I 9 37 SER 37 37 37 SER SER J . n +I 9 38 SER 38 38 38 SER SER J . n +I 9 39 LEU 39 39 39 LEU LEU J . n +J 10 1 LYS 1 10 10 LYS LYS K . n +J 10 2 LEU 2 11 11 LEU LEU K . n +J 10 3 PRO 3 12 12 PRO PRO K . n +J 10 4 GLU 4 13 13 GLU GLU K . n +J 10 5 ALA 5 14 14 ALA ALA K . n +J 10 6 TYR 6 15 15 TYR TYR K . n +J 10 7 ALA 7 16 16 ALA ALA K . n +J 10 8 ILE 8 17 17 ILE ILE K . n +J 10 9 PHE 9 18 18 PHE PHE K . n +J 10 10 ASP 10 19 19 ASP ASP K . n +J 10 11 PRO 11 20 20 PRO PRO K . n +J 10 12 LEU 12 21 21 LEU LEU K . n +J 10 13 VAL 13 22 22 VAL VAL K . n +J 10 14 ASP 14 23 23 ASP ASP K . n +J 10 15 VAL 15 24 24 VAL VAL K . n +J 10 16 LEU 16 25 25 LEU LEU K . n +J 10 17 PRO 17 26 26 PRO PRO K . n +J 10 18 VAL 18 27 27 VAL VAL K . n +J 10 19 ILE 19 28 28 ILE ILE K . n +J 10 20 PRO 20 29 29 PRO PRO K . n +J 10 21 VAL 21 30 30 VAL VAL K . n +J 10 22 LEU 22 31 31 LEU LEU K . n +J 10 23 PHE 23 32 32 PHE PHE K . n +J 10 24 LEU 24 33 33 LEU LEU K . n +J 10 25 ALA 25 34 34 ALA ALA K . n +J 10 26 LEU 26 35 35 LEU LEU K . n +J 10 27 ALA 27 36 36 ALA ALA K . n +J 10 28 PHE 28 37 37 PHE PHE K . n +J 10 29 VAL 29 38 38 VAL VAL K . n +J 10 30 TRP 30 39 39 TRP TRP K . n +J 10 31 GLN 31 40 40 GLN GLN K . n +J 10 32 ALA 32 41 41 ALA ALA K . n +J 10 33 ALA 33 42 42 ALA ALA K . n +J 10 34 VAL 34 43 43 VAL VAL K . n +J 10 35 GLY 35 44 44 GLY GLY K . n +J 10 36 PHE 36 45 45 PHE PHE K . n +J 10 37 ARG 37 46 46 ARG ARG K . n +K 11 1 MET 1 1 ? ? ? L . n +K 11 2 GLU 2 2 2 GLU GLU L . n +K 11 3 PRO 3 3 3 PRO PRO L . n +K 11 4 ASN 4 4 4 ASN ASN L . n +K 11 5 PRO 5 5 5 PRO PRO L . n +K 11 6 ASN 6 6 6 ASN ASN L . n +K 11 7 ARG 7 7 7 ARG ARG L . n +K 11 8 GLN 8 8 8 GLN GLN L . n +K 11 9 PRO 9 9 9 PRO PRO L . n +K 11 10 VAL 10 10 10 VAL VAL L . n +K 11 11 GLU 11 11 11 GLU GLU L . n +K 11 12 LEU 12 12 12 LEU LEU L . n +K 11 13 ASN 13 13 13 ASN ASN L . n +K 11 14 ARG 14 14 14 ARG ARG L . n +K 11 15 THR 15 15 15 THR THR L . n +K 11 16 SER 16 16 16 SER SER L . n +K 11 17 LEU 17 17 17 LEU LEU L . n +K 11 18 TYR 18 18 18 TYR TYR L . n +K 11 19 LEU 19 19 19 LEU LEU L . n +K 11 20 GLY 20 20 20 GLY GLY L . n +K 11 21 LEU 21 21 21 LEU LEU L . n +K 11 22 LEU 22 22 22 LEU LEU L . n +K 11 23 LEU 23 23 23 LEU LEU L . n +K 11 24 ILE 24 24 24 ILE ILE L . n +K 11 25 LEU 25 25 25 LEU LEU L . n +K 11 26 VAL 26 26 26 VAL VAL L . n +K 11 27 LEU 27 27 27 LEU LEU L . n +K 11 28 ALA 28 28 28 ALA ALA L . n +K 11 29 LEU 29 29 29 LEU LEU L . n +K 11 30 LEU 30 30 30 LEU LEU L . n +K 11 31 PHE 31 31 31 PHE PHE L . n +K 11 32 SER 32 32 32 SER SER L . n +K 11 33 SER 33 33 33 SER SER L . n +K 11 34 TYR 34 34 34 TYR TYR L . n +K 11 35 PHE 35 35 35 PHE PHE L . n +K 11 36 PHE 36 36 36 PHE PHE L . n +K 11 37 ASN 37 37 37 ASN ASN L . n +L 12 1 FME 1 1 1 FME FME M . n +L 12 2 GLU 2 2 2 GLU GLU M . n +L 12 3 VAL 3 3 3 VAL VAL M . n +L 12 4 ASN 4 4 4 ASN ASN M . n +L 12 5 GLN 5 5 5 GLN GLN M . n +L 12 6 LEU 6 6 6 LEU LEU M . n +L 12 7 GLY 7 7 7 GLY GLY M . n +L 12 8 LEU 8 8 8 LEU LEU M . n +L 12 9 ILE 9 9 9 ILE ILE M . n +L 12 10 ALA 10 10 10 ALA ALA M . n +L 12 11 THR 11 11 11 THR THR M . n +L 12 12 ALA 12 12 12 ALA ALA M . n +L 12 13 LEU 13 13 13 LEU LEU M . n +L 12 14 PHE 14 14 14 PHE PHE M . n +L 12 15 VAL 15 15 15 VAL VAL M . n +L 12 16 LEU 16 16 16 LEU LEU M . n +L 12 17 VAL 17 17 17 VAL VAL M . n +L 12 18 PRO 18 18 18 PRO PRO M . n +L 12 19 SER 19 19 19 SER SER M . n +L 12 20 VAL 20 20 20 VAL VAL M . n +L 12 21 PHE 21 21 21 PHE PHE M . n +L 12 22 LEU 22 22 22 LEU LEU M . n +L 12 23 ILE 23 23 23 ILE ILE M . n +L 12 24 ILE 24 24 24 ILE ILE M . n +L 12 25 LEU 25 25 25 LEU LEU M . n +L 12 26 TYR 26 26 26 TYR TYR M . n +L 12 27 VAL 27 27 27 VAL VAL M . n +L 12 28 GLN 28 28 28 GLN GLN M . n +L 12 29 THR 29 29 29 THR THR M . n +L 12 30 GLU 30 30 30 GLU GLU M . n +L 12 31 SER 31 31 31 SER SER M . n +L 12 32 GLN 32 32 32 GLN GLN M . n +L 12 33 GLN 33 33 33 GLN GLN M . n +L 12 34 LYS 34 34 ? ? ? M . n +L 12 35 SER 35 35 ? ? ? M . n +L 12 36 SER 36 36 ? ? ? M . n +M 13 1 GLN 1 3 ? ? ? O . n +M 13 2 THR 2 4 4 THR THR O . n +M 13 3 LEU 3 5 5 LEU LEU O . n +M 13 4 THR 4 6 6 THR THR O . n +M 13 5 TYR 5 7 7 TYR TYR O . n +M 13 6 ASP 6 8 8 ASP ASP O . n +M 13 7 ASP 7 9 9 ASP ASP O . n +M 13 8 ILE 8 10 10 ILE ILE O . n +M 13 9 VAL 9 11 11 VAL VAL O . n +M 13 10 GLY 10 12 12 GLY GLY O . n +M 13 11 THR 11 13 13 THR THR O . n +M 13 12 GLY 12 14 14 GLY GLY O . n +M 13 13 LEU 13 15 15 LEU LEU O . n +M 13 14 ALA 14 16 16 ALA ALA O . n +M 13 15 ASN 15 17 17 ASN ASN O . n +M 13 16 LYS 16 18 18 LYS LYS O . n +M 13 17 CYS 17 19 19 CYS CYS O . n +M 13 18 PRO 18 20 20 PRO PRO O . n +M 13 19 THR 19 21 21 THR THR O . n +M 13 20 LEU 20 22 22 LEU LEU O . n +M 13 21 ASP 21 23 23 ASP ASP O . n +M 13 22 ASP 22 24 24 ASP ASP O . n +M 13 23 THR 23 25 25 THR THR O . n +M 13 24 ALA 24 26 26 ALA ALA O . n +M 13 25 ARG 25 27 27 ARG ARG O . n +M 13 26 GLY 26 28 28 GLY GLY O . n +M 13 27 ALA 27 29 29 ALA ALA O . n +M 13 28 TYR 28 30 30 TYR TYR O . n +M 13 29 PRO 29 31 31 PRO PRO O . n +M 13 30 ILE 30 32 32 ILE ILE O . n +M 13 31 ASP 31 33 33 ASP ASP O . n +M 13 32 SER 32 34 34 SER SER O . n +M 13 33 SER 33 35 35 SER SER O . n +M 13 34 GLN 34 36 36 GLN GLN O . n +M 13 35 THR 35 37 37 THR THR O . n +M 13 36 TYR 36 38 38 TYR TYR O . n +M 13 37 ARG 37 39 39 ARG ARG O . n +M 13 38 ILE 38 40 40 ILE ILE O . n +M 13 39 ALA 39 41 41 ALA ALA O . n +M 13 40 ARG 40 42 42 ARG ARG O . n +M 13 41 LEU 41 43 43 LEU LEU O . n +M 13 42 CYS 42 44 44 CYS CYS O . n +M 13 43 LEU 43 45 45 LEU LEU O . n +M 13 44 GLN 44 46 46 GLN GLN O . n +M 13 45 PRO 45 47 47 PRO PRO O . n +M 13 46 THR 46 48 48 THR THR O . n +M 13 47 THR 47 49 49 THR THR O . n +M 13 48 PHE 48 50 50 PHE PHE O . n +M 13 49 LEU 49 51 51 LEU LEU O . n +M 13 50 VAL 50 52 52 VAL VAL O . n +M 13 51 LYS 51 53 53 LYS LYS O . n +M 13 52 GLU 52 54 54 GLU GLU O . n +M 13 53 GLU 53 55 55 GLU GLU O . n +M 13 54 PRO 54 56 56 PRO PRO O . n +M 13 55 LYS 55 57 57 LYS LYS O . n +M 13 56 ASN 56 58 58 ASN ASN O . n +M 13 57 LYS 57 59 59 LYS LYS O . n +M 13 58 ARG 58 60 60 ARG ARG O . n +M 13 59 GLN 59 61 61 GLN GLN O . n +M 13 60 GLU 60 62 62 GLU GLU O . n +M 13 61 ALA 61 63 63 ALA ALA O . n +M 13 62 GLU 62 64 64 GLU GLU O . n +M 13 63 PHE 63 65 65 PHE PHE O . n +M 13 64 VAL 64 66 66 VAL VAL O . n +M 13 65 PRO 65 67 67 PRO PRO O . n +M 13 66 THR 66 68 68 THR THR O . n +M 13 67 LYS 67 69 69 LYS LYS O . n +M 13 68 LEU 68 70 70 LEU LEU O . n +M 13 69 VAL 69 71 71 VAL VAL O . n +M 13 70 THR 70 72 72 THR THR O . n +M 13 71 ARG 71 73 73 ARG ARG O . n +M 13 72 GLU 72 74 74 GLU GLU O . n +M 13 73 THR 73 75 75 THR THR O . n +M 13 74 THR 74 76 76 THR THR O . n +M 13 75 SER 75 77 77 SER SER O . n +M 13 76 LEU 76 78 78 LEU LEU O . n +M 13 77 ASP 77 79 79 ASP ASP O . n +M 13 78 GLN 78 80 80 GLN GLN O . n +M 13 79 ILE 79 81 81 ILE ILE O . n +M 13 80 GLN 80 82 82 GLN GLN O . n +M 13 81 GLY 81 83 83 GLY GLY O . n +M 13 82 GLU 82 84 84 GLU GLU O . n +M 13 83 LEU 83 85 85 LEU LEU O . n +M 13 84 LYS 84 86 86 LYS LYS O . n +M 13 85 VAL 85 87 87 VAL VAL O . n +M 13 86 ASN 86 88 88 ASN ASN O . n +M 13 87 SER 87 89 89 SER SER O . n +M 13 88 ASP 88 90 90 ASP ASP O . n +M 13 89 GLY 89 91 91 GLY GLY O . n +M 13 90 SER 90 92 92 SER SER O . n +M 13 91 LEU 91 93 93 LEU LEU O . n +M 13 92 THR 92 94 94 THR THR O . n +M 13 93 PHE 93 95 95 PHE PHE O . n +M 13 94 VAL 94 96 96 VAL VAL O . n +M 13 95 GLU 95 97 97 GLU GLU O . n +M 13 96 GLU 96 98 98 GLU GLU O . n +M 13 97 ASP 97 99 99 ASP ASP O . n +M 13 98 GLY 98 100 100 GLY GLY O . n +M 13 99 ILE 99 101 101 ILE ILE O . n +M 13 100 ASP 100 102 102 ASP ASP O . n +M 13 101 PHE 101 103 103 PHE PHE O . n +M 13 102 GLN 102 104 104 GLN GLN O . n +M 13 103 PRO 103 105 105 PRO PRO O . n +M 13 104 VAL 104 106 106 VAL VAL O . n +M 13 105 THR 105 107 107 THR THR O . n +M 13 106 VAL 106 108 108 VAL VAL O . n +M 13 107 GLN 107 109 109 GLN GLN O . n +M 13 108 MET 108 110 110 MET MET O . n +M 13 109 ALA 109 111 111 ALA ALA O . n +M 13 110 GLY 110 112 112 GLY GLY O . n +M 13 111 GLY 111 113 113 GLY GLY O . n +M 13 112 GLU 112 114 114 GLU GLU O . n +M 13 113 ARG 113 115 115 ARG ARG O . n +M 13 114 ILE 114 116 116 ILE ILE O . n +M 13 115 PRO 115 117 117 PRO PRO O . n +M 13 116 LEU 116 118 118 LEU LEU O . n +M 13 117 LEU 117 119 119 LEU LEU O . n +M 13 118 PHE 118 120 120 PHE PHE O . n +M 13 119 THR 119 121 121 THR THR O . n +M 13 120 VAL 120 122 122 VAL VAL O . n +M 13 121 LYS 121 123 123 LYS LYS O . n +M 13 122 ASN 122 124 124 ASN ASN O . n +M 13 123 LEU 123 125 125 LEU LEU O . n +M 13 124 VAL 124 126 126 VAL VAL O . n +M 13 125 ALA 125 127 127 ALA ALA O . n +M 13 126 SER 126 128 128 SER SER O . n +M 13 127 THR 127 129 129 THR THR O . n +M 13 128 GLN 128 130 130 GLN GLN O . n +M 13 129 PRO 129 131 131 PRO PRO O . n +M 13 130 ASN 130 132 132 ASN ASN O . n +M 13 131 VAL 131 133 133 VAL VAL O . n +M 13 132 THR 132 134 134 THR THR O . n +M 13 133 SER 133 135 135 SER SER O . n +M 13 134 ILE 134 136 136 ILE ILE O . n +M 13 135 THR 135 137 137 THR THR O . n +M 13 136 THR 136 138 138 THR THR O . n +M 13 137 SER 137 139 139 SER SER O . n +M 13 138 THR 138 140 140 THR THR O . n +M 13 139 ASP 139 141 141 ASP ASP O . n +M 13 140 PHE 140 142 142 PHE PHE O . n +M 13 141 LYS 141 143 143 LYS LYS O . n +M 13 142 GLY 142 144 144 GLY GLY O . n +M 13 143 GLU 143 145 145 GLU GLU O . n +M 13 144 PHE 144 146 146 PHE PHE O . n +M 13 145 ASN 145 147 147 ASN ASN O . n +M 13 146 VAL 146 148 148 VAL VAL O . n +M 13 147 PRO 147 149 149 PRO PRO O . n +M 13 148 SER 148 150 150 SER SER O . n +M 13 149 TYR 149 151 151 TYR TYR O . n +M 13 150 ARG 150 152 152 ARG ARG O . n +M 13 151 THR 151 153 153 THR THR O . n +M 13 152 ALA 152 154 154 ALA ALA O . n +M 13 153 ASN 153 155 155 ASN ASN O . n +M 13 154 PHE 154 156 156 PHE PHE O . n +M 13 155 LEU 155 157 157 LEU LEU O . n +M 13 156 ASP 156 158 158 ASP ASP O . n +M 13 157 PRO 157 159 159 PRO PRO O . n +M 13 158 LYS 158 160 160 LYS LYS O . n +M 13 159 GLY 159 161 161 GLY GLY O . n +M 13 160 ARG 160 162 162 ARG ARG O . n +M 13 161 GLY 161 163 163 GLY GLY O . n +M 13 162 LEU 162 164 164 LEU LEU O . n +M 13 163 ALA 163 165 165 ALA ALA O . n +M 13 164 SER 164 166 166 SER SER O . n +M 13 165 GLY 165 167 167 GLY GLY O . n +M 13 166 TYR 166 168 168 TYR TYR O . n +M 13 167 ASP 167 169 169 ASP ASP O . n +M 13 168 SER 168 170 170 SER SER O . n +M 13 169 ALA 169 171 171 ALA ALA O . n +M 13 170 ILE 170 172 172 ILE ILE O . n +M 13 171 ALA 171 173 173 ALA ALA O . n +M 13 172 LEU 172 174 174 LEU LEU O . n +M 13 173 PRO 173 175 175 PRO PRO O . n +M 13 174 GLN 174 176 176 GLN GLN O . n +M 13 175 ALA 175 177 177 ALA ALA O . n +M 13 176 LYS 176 178 178 LYS LYS O . n +M 13 177 GLU 177 179 179 GLU GLU O . n +M 13 178 GLU 178 180 180 GLU GLU O . n +M 13 179 GLU 179 181 181 GLU GLU O . n +M 13 180 LEU 180 182 182 LEU LEU O . n +M 13 181 ALA 181 183 183 ALA ALA O . n +M 13 182 ARG 182 184 184 ARG ARG O . n +M 13 183 ALA 183 185 185 ALA ALA O . n +M 13 184 ASN 184 186 186 ASN ASN O . n +M 13 185 VAL 185 187 187 VAL VAL O . n +M 13 186 LYS 186 188 188 LYS LYS O . n +M 13 187 ARG 187 189 189 ARG ARG O . n +M 13 188 PHE 188 190 190 PHE PHE O . n +M 13 189 SER 189 191 191 SER SER O . n +M 13 190 LEU 190 192 192 LEU LEU O . n +M 13 191 THR 191 193 193 THR THR O . n +M 13 192 LYS 192 194 194 LYS LYS O . n +M 13 193 GLY 193 195 195 GLY GLY O . n +M 13 194 GLN 194 196 196 GLN GLN O . n +M 13 195 ILE 195 197 197 ILE ILE O . n +M 13 196 SER 196 198 198 SER SER O . n +M 13 197 LEU 197 199 199 LEU LEU O . n +M 13 198 ASN 198 200 200 ASN ASN O . n +M 13 199 VAL 199 201 201 VAL VAL O . n +M 13 200 ALA 200 202 202 ALA ALA O . n +M 13 201 LYS 201 203 203 LYS LYS O . n +M 13 202 VAL 202 204 204 VAL VAL O . n +M 13 203 ASP 203 205 205 ASP ASP O . n +M 13 204 GLY 204 206 206 GLY GLY O . n +M 13 205 ARG 205 207 207 ARG ARG O . n +M 13 206 THR 206 208 208 THR THR O . n +M 13 207 GLY 207 209 209 GLY GLY O . n +M 13 208 GLU 208 210 210 GLU GLU O . n +M 13 209 ILE 209 211 211 ILE ILE O . n +M 13 210 ALA 210 212 212 ALA ALA O . n +M 13 211 GLY 211 213 213 GLY GLY O . n +M 13 212 THR 212 214 214 THR THR O . n +M 13 213 PHE 213 215 215 PHE PHE O . n +M 13 214 GLU 214 216 216 GLU GLU O . n +M 13 215 SER 215 217 217 SER SER O . n +M 13 216 GLU 216 218 218 GLU GLU O . n +M 13 217 GLN 217 219 219 GLN GLN O . n +M 13 218 LEU 218 220 220 LEU LEU O . n +M 13 219 SER 219 221 221 SER SER O . n +M 13 220 ASP 220 222 222 ASP ASP O . n +M 13 221 ASP 221 223 223 ASP ASP O . n +M 13 222 ASP 222 224 224 ASP ASP O . n +M 13 223 MET 223 225 225 MET MET O . n +M 13 224 GLY 224 226 226 GLY GLY O . n +M 13 225 ALA 225 227 227 ALA ALA O . n +M 13 226 HIS 226 228 228 HIS HIS O . n +M 13 227 GLU 227 229 229 GLU GLU O . n +M 13 228 PRO 228 230 230 PRO PRO O . n +M 13 229 HIS 229 231 231 HIS HIS O . n +M 13 230 GLU 230 232 232 GLU GLU O . n +M 13 231 VAL 231 233 233 VAL VAL O . n +M 13 232 LYS 232 234 234 LYS LYS O . n +M 13 233 ILE 233 235 235 ILE ILE O . n +M 13 234 GLN 234 236 236 GLN GLN O . n +M 13 235 GLY 235 237 237 GLY GLY O . n +M 13 236 VAL 236 238 238 VAL VAL O . n +M 13 237 PHE 237 239 239 PHE PHE O . n +M 13 238 TYR 238 240 240 TYR TYR O . n +M 13 239 ALA 239 241 241 ALA ALA O . n +M 13 240 SER 240 242 242 SER SER O . n +M 13 241 ILE 241 243 243 ILE ILE O . n +M 13 242 GLU 242 244 244 GLU GLU O . n +M 13 243 PRO 243 245 245 PRO PRO O . n +M 13 244 ALA 244 246 246 ALA ALA O . n +N 14 1 FME 1 1 1 FME FME T . n +N 14 2 GLU 2 2 2 GLU GLU T . n +N 14 3 THR 3 3 3 THR THR T . n +N 14 4 ILE 4 4 4 ILE ILE T . n +N 14 5 THR 5 5 5 THR THR T . n +N 14 6 TYR 6 6 6 TYR TYR T . n +N 14 7 VAL 7 7 7 VAL VAL T . n +N 14 8 PHE 8 8 8 PHE PHE T . n +N 14 9 ILE 9 9 9 ILE ILE T . n +N 14 10 PHE 10 10 10 PHE PHE T . n +N 14 11 ALA 11 11 11 ALA ALA T . n +N 14 12 CYS 12 12 12 CYS CYS T . n +N 14 13 ILE 13 13 13 ILE ILE T . n +N 14 14 ILE 14 14 14 ILE ILE T . n +N 14 15 ALA 15 15 15 ALA ALA T . n +N 14 16 LEU 16 16 16 LEU LEU T . n +N 14 17 PHE 17 17 17 PHE PHE T . n +N 14 18 PHE 18 18 18 PHE PHE T . n +N 14 19 PHE 19 19 19 PHE PHE T . n +N 14 20 ALA 20 20 20 ALA ALA T . n +N 14 21 ILE 21 21 21 ILE ILE T . n +N 14 22 PHE 22 22 22 PHE PHE T . n +N 14 23 PHE 23 23 23 PHE PHE T . n +N 14 24 ARG 24 24 24 ARG ARG T . n +N 14 25 GLU 25 25 25 GLU GLU T . n +N 14 26 PRO 26 26 26 PRO PRO T . n +N 14 27 PRO 27 27 27 PRO PRO T . n +N 14 28 ARG 28 28 28 ARG ARG T . n +N 14 29 ILE 29 29 29 ILE ILE T . n +N 14 30 THR 30 30 30 THR THR T . n +N 14 31 LYS 31 31 ? ? ? T . n +N 14 32 LYS 32 32 ? ? ? T . n +O 15 1 ALA 1 1 ? ? ? U . n +O 15 2 THR 2 2 ? ? ? U . n +O 15 3 ALA 3 3 ? ? ? U . n +O 15 4 SER 4 4 ? ? ? U . n +O 15 5 THR 5 5 ? ? ? U . n +O 15 6 GLU 6 6 ? ? ? U . n +O 15 7 GLU 7 7 ? ? ? U . n +O 15 8 GLU 8 8 ? ? ? U . n +O 15 9 LEU 9 9 9 LEU LEU U . n +O 15 10 VAL 10 10 10 VAL VAL U . n +O 15 11 ASN 11 11 11 ASN ASN U . n +O 15 12 VAL 12 12 12 VAL VAL U . n +O 15 13 VAL 13 13 13 VAL VAL U . n +O 15 14 ASP 14 14 14 ASP ASP U . n +O 15 15 GLU 15 15 15 GLU GLU U . n +O 15 16 LYS 16 16 16 LYS LYS U . n +O 15 17 LEU 17 17 17 LEU LEU U . n +O 15 18 GLY 18 18 18 GLY GLY U . n +O 15 19 THR 19 19 19 THR THR U . n +O 15 20 ALA 20 20 20 ALA ALA U . n +O 15 21 TYR 21 21 21 TYR TYR U . n +O 15 22 GLY 22 22 22 GLY GLY U . n +O 15 23 GLU 23 23 23 GLU GLU U . n +O 15 24 LYS 24 24 24 LYS LYS U . n +O 15 25 ILE 25 25 25 ILE ILE U . n +O 15 26 ASP 26 26 26 ASP ASP U . n +O 15 27 LEU 27 27 27 LEU LEU U . n +O 15 28 ASN 28 28 28 ASN ASN U . n +O 15 29 ASN 29 29 29 ASN ASN U . n +O 15 30 THR 30 30 30 THR THR U . n +O 15 31 ASN 31 31 31 ASN ASN U . n +O 15 32 ILE 32 32 32 ILE ILE U . n +O 15 33 ALA 33 33 33 ALA ALA U . n +O 15 34 ALA 34 34 34 ALA ALA U . n +O 15 35 PHE 35 35 35 PHE PHE U . n +O 15 36 ILE 36 36 36 ILE ILE U . n +O 15 37 GLN 37 37 37 GLN GLN U . n +O 15 38 TYR 38 38 38 TYR TYR U . n +O 15 39 ARG 39 39 39 ARG ARG U . n +O 15 40 GLY 40 40 40 GLY GLY U . n +O 15 41 LEU 41 41 41 LEU LEU U . n +O 15 42 TYR 42 42 42 TYR TYR U . n +O 15 43 PRO 43 43 43 PRO PRO U . n +O 15 44 THR 44 44 44 THR THR U . n +O 15 45 LEU 45 45 45 LEU LEU U . n +O 15 46 ALA 46 46 46 ALA ALA U . n +O 15 47 LYS 47 47 47 LYS LYS U . n +O 15 48 LEU 48 48 48 LEU LEU U . n +O 15 49 ILE 49 49 49 ILE ILE U . n +O 15 50 VAL 50 50 50 VAL VAL U . n +O 15 51 LYS 51 51 51 LYS LYS U . n +O 15 52 ASN 52 52 52 ASN ASN U . n +O 15 53 ALA 53 53 53 ALA ALA U . n +O 15 54 PRO 54 54 54 PRO PRO U . n +O 15 55 TYR 55 55 55 TYR TYR U . n +O 15 56 GLU 56 56 56 GLU GLU U . n +O 15 57 SER 57 57 57 SER SER U . n +O 15 58 VAL 58 58 58 VAL VAL U . n +O 15 59 GLU 59 59 59 GLU GLU U . n +O 15 60 ASP 60 60 60 ASP ASP U . n +O 15 61 VAL 61 61 61 VAL VAL U . n +O 15 62 LEU 62 62 62 LEU LEU U . n +O 15 63 ASN 63 63 63 ASN ASN U . n +O 15 64 ILE 64 64 64 ILE ILE U . n +O 15 65 PRO 65 65 65 PRO PRO U . n +O 15 66 GLY 66 66 66 GLY GLY U . n +O 15 67 LEU 67 67 67 LEU LEU U . n +O 15 68 THR 68 68 68 THR THR U . n +O 15 69 GLU 69 69 69 GLU GLU U . n +O 15 70 ARG 70 70 70 ARG ARG U . n +O 15 71 GLN 71 71 71 GLN GLN U . n +O 15 72 LYS 72 72 72 LYS LYS U . n +O 15 73 GLN 73 73 73 GLN GLN U . n +O 15 74 ILE 74 74 74 ILE ILE U . n +O 15 75 LEU 75 75 75 LEU LEU U . n +O 15 76 ARG 76 76 76 ARG ARG U . n +O 15 77 GLU 77 77 77 GLU GLU U . n +O 15 78 ASN 78 78 78 ASN ASN U . n +O 15 79 LEU 79 79 79 LEU LEU U . n +O 15 80 GLU 80 80 80 GLU GLU U . n +O 15 81 HIS 81 81 81 HIS HIS U . n +O 15 82 PHE 82 82 82 PHE PHE U . n +O 15 83 THR 83 83 83 THR THR U . n +O 15 84 VAL 84 84 84 VAL VAL U . n +O 15 85 THR 85 85 85 THR THR U . n +O 15 86 GLU 86 86 86 GLU GLU U . n +O 15 87 VAL 87 87 87 VAL VAL U . n +O 15 88 GLU 88 88 88 GLU GLU U . n +O 15 89 THR 89 89 89 THR THR U . n +O 15 90 ALA 90 90 90 ALA ALA U . n +O 15 91 LEU 91 91 91 LEU LEU U . n +O 15 92 VAL 92 92 92 VAL VAL U . n +O 15 93 GLU 93 93 93 GLU GLU U . n +O 15 94 GLY 94 94 94 GLY GLY U . n +O 15 95 GLY 95 95 95 GLY GLY U . n +O 15 96 ASP 96 96 96 ASP ASP U . n +O 15 97 ARG 97 97 97 ARG ARG U . n +O 15 98 TYR 98 98 98 TYR TYR U . n +O 15 99 ASN 99 99 99 ASN ASN U . n +O 15 100 ASN 100 100 100 ASN ASN U . n +O 15 101 GLY 101 101 101 GLY GLY U . n +O 15 102 LEU 102 102 102 LEU LEU U . n +O 15 103 TYR 103 103 103 TYR TYR U . n +O 15 104 LYS 104 104 104 LYS LYS U . n +P 16 1 ALA 1 1 1 ALA ALA V . n +P 16 2 GLU 2 2 2 GLU GLU V . n +P 16 3 LEU 3 3 3 LEU LEU V . n +P 16 4 THR 4 4 4 THR THR V . n +P 16 5 PRO 5 5 5 PRO PRO V . n +P 16 6 GLU 6 6 6 GLU GLU V . n +P 16 7 VAL 7 7 7 VAL VAL V . n +P 16 8 LEU 8 8 8 LEU LEU V . n +P 16 9 THR 9 9 9 THR THR V . n +P 16 10 VAL 10 10 10 VAL VAL V . n +P 16 11 PRO 11 11 11 PRO PRO V . n +P 16 12 LEU 12 12 12 LEU LEU V . n +P 16 13 ASN 13 13 13 ASN ASN V . n +P 16 14 SER 14 14 14 SER SER V . n +P 16 15 GLU 15 15 15 GLU GLU V . n +P 16 16 GLY 16 16 16 GLY GLY V . n +P 16 17 LYS 17 17 17 LYS LYS V . n +P 16 18 THR 18 18 18 THR THR V . n +P 16 19 ILE 19 19 19 ILE ILE V . n +P 16 20 THR 20 20 20 THR THR V . n +P 16 21 LEU 21 21 21 LEU LEU V . n +P 16 22 THR 22 22 22 THR THR V . n +P 16 23 GLU 23 23 23 GLU GLU V . n +P 16 24 LYS 24 24 24 LYS LYS V . n +P 16 25 GLN 25 25 25 GLN GLN V . n +P 16 26 TYR 26 26 26 TYR TYR V . n +P 16 27 LEU 27 27 27 LEU LEU V . n +P 16 28 GLU 28 28 28 GLU GLU V . n +P 16 29 GLY 29 29 29 GLY GLY V . n +P 16 30 LYS 30 30 30 LYS LYS V . n +P 16 31 ARG 31 31 31 ARG ARG V . n +P 16 32 LEU 32 32 32 LEU LEU V . n +P 16 33 PHE 33 33 33 PHE PHE V . n +P 16 34 GLN 34 34 34 GLN GLN V . n +P 16 35 TYR 35 35 35 TYR TYR V . n +P 16 36 ALA 36 36 36 ALA ALA V . n +P 16 37 CYS 37 37 37 CYS CYS V . n +P 16 38 ALA 38 38 38 ALA ALA V . n +P 16 39 SER 39 39 39 SER SER V . n +P 16 40 CYS 40 40 40 CYS CYS V . n +P 16 41 HIS 41 41 41 HIS HIS V . n +P 16 42 VAL 42 42 42 VAL VAL V . n +P 16 43 GLY 43 43 43 GLY GLY V . n +P 16 44 GLY 44 44 44 GLY GLY V . n +P 16 45 ILE 45 45 45 ILE ILE V . n +P 16 46 THR 46 46 46 THR THR V . n +P 16 47 LYS 47 47 47 LYS LYS V . n +P 16 48 THR 48 48 48 THR THR V . n +P 16 49 ASN 49 49 49 ASN ASN V . n +P 16 50 PRO 50 50 50 PRO PRO V . n +P 16 51 SER 51 51 51 SER SER V . n +P 16 52 LEU 52 52 52 LEU LEU V . n +P 16 53 ASP 53 53 53 ASP ASP V . n +P 16 54 LEU 54 54 54 LEU LEU V . n +P 16 55 ARG 55 55 55 ARG ARG V . n +P 16 56 THR 56 56 56 THR THR V . n +P 16 57 GLU 57 57 57 GLU GLU V . n +P 16 58 THR 58 58 58 THR THR V . n +P 16 59 LEU 59 59 59 LEU LEU V . n +P 16 60 ALA 60 60 60 ALA ALA V . n +P 16 61 LEU 61 61 61 LEU LEU V . n +P 16 62 ALA 62 62 62 ALA ALA V . n +P 16 63 THR 63 63 63 THR THR V . n +P 16 64 PRO 64 64 64 PRO PRO V . n +P 16 65 PRO 65 65 65 PRO PRO V . n +P 16 66 ARG 66 66 66 ARG ARG V . n +P 16 67 ASP 67 67 67 ASP ASP V . n +P 16 68 ASN 68 68 68 ASN ASN V . n +P 16 69 ILE 69 69 69 ILE ILE V . n +P 16 70 GLU 70 70 70 GLU GLU V . n +P 16 71 GLY 71 71 71 GLY GLY V . n +P 16 72 LEU 72 72 72 LEU LEU V . n +P 16 73 VAL 73 73 73 VAL VAL V . n +P 16 74 ASP 74 74 74 ASP ASP V . n +P 16 75 TYR 75 75 75 TYR TYR V . n +P 16 76 MET 76 76 76 MET MET V . n +P 16 77 LYS 77 77 77 LYS LYS V . n +P 16 78 ASN 78 78 78 ASN ASN V . n +P 16 79 PRO 79 79 79 PRO PRO V . n +P 16 80 THR 80 80 80 THR THR V . n +P 16 81 THR 81 81 81 THR THR V . n +P 16 82 TYR 82 82 82 TYR TYR V . n +P 16 83 ASP 83 83 83 ASP ASP V . n +P 16 84 GLY 84 84 84 GLY GLY V . n +P 16 85 GLU 85 85 85 GLU GLU V . n +P 16 86 GLN 86 86 86 GLN GLN V . n +P 16 87 GLU 87 87 87 GLU GLU V . n +P 16 88 ILE 88 88 88 ILE ILE V . n +P 16 89 ALA 89 89 89 ALA ALA V . n +P 16 90 GLU 90 90 90 GLU GLU V . n +P 16 91 VAL 91 91 91 VAL VAL V . n +P 16 92 HIS 92 92 92 HIS HIS V . n +P 16 93 PRO 93 93 93 PRO PRO V . n +P 16 94 SER 94 94 94 SER SER V . n +P 16 95 LEU 95 95 95 LEU LEU V . n +P 16 96 ARG 96 96 96 ARG ARG V . n +P 16 97 SER 97 97 97 SER SER V . n +P 16 98 ALA 98 98 98 ALA ALA V . n +P 16 99 ASP 99 99 99 ASP ASP V . n +P 16 100 ILE 100 100 100 ILE ILE V . n +P 16 101 PHE 101 101 101 PHE PHE V . n +P 16 102 PRO 102 102 102 PRO PRO V . n +P 16 103 LYS 103 103 103 LYS LYS V . n +P 16 104 MET 104 104 104 MET MET V . n +P 16 105 ARG 105 105 105 ARG ARG V . n +P 16 106 ASN 106 106 106 ASN ASN V . n +P 16 107 LEU 107 107 107 LEU LEU V . n +P 16 108 THR 108 108 108 THR THR V . n +P 16 109 GLU 109 109 109 GLU GLU V . n +P 16 110 LYS 110 110 110 LYS LYS V . n +P 16 111 ASP 111 111 111 ASP ASP V . n +P 16 112 LEU 112 112 112 LEU LEU V . n +P 16 113 VAL 113 113 113 VAL VAL V . n +P 16 114 ALA 114 114 114 ALA ALA V . n +P 16 115 ILE 115 115 115 ILE ILE V . n +P 16 116 ALA 116 116 116 ALA ALA V . n +P 16 117 GLY 117 117 117 GLY GLY V . n +P 16 118 HIS 118 118 118 HIS HIS V . n +P 16 119 ILE 119 119 119 ILE ILE V . n +P 16 120 LEU 120 120 120 LEU LEU V . n +P 16 121 VAL 121 121 121 VAL VAL V . n +P 16 122 GLU 122 122 122 GLU GLU V . n +P 16 123 PRO 123 123 123 PRO PRO V . n +P 16 124 LYS 124 124 124 LYS LYS V . n +P 16 125 ILE 125 125 125 ILE ILE V . n +P 16 126 LEU 126 126 126 LEU LEU V . n +P 16 127 GLY 127 127 127 GLY GLY V . n +P 16 128 ASP 128 128 128 ASP ASP V . n +P 16 129 LYS 129 129 129 LYS LYS V . n +P 16 130 TRP 130 130 130 TRP TRP V . n +P 16 131 GLY 131 131 131 GLY GLY V . n +P 16 132 GLY 132 132 132 GLY GLY V . n +P 16 133 GLY 133 133 133 GLY GLY V . n +P 16 134 LYS 134 134 134 LYS LYS V . n +P 16 135 VAL 135 135 135 VAL VAL V . n +P 16 136 TYR 136 136 136 TYR TYR V . n +P 16 137 TYR 137 137 137 TYR TYR V . n +Q 17 1 THR 1 2 2 THR THR X . n +Q 17 2 ILE 2 3 3 ILE ILE X . n +Q 17 3 THR 3 4 4 THR THR X . n +Q 17 4 PRO 4 5 5 PRO PRO X . n +Q 17 5 SER 5 6 6 SER SER X . n +Q 17 6 LEU 6 7 7 LEU LEU X . n +Q 17 7 LYS 7 8 8 LYS LYS X . n +Q 17 8 GLY 8 9 9 GLY GLY X . n +Q 17 9 PHE 9 10 10 PHE PHE X . n +Q 17 10 PHE 10 11 11 PHE PHE X . n +Q 17 11 ILE 11 12 12 ILE ILE X . n +Q 17 12 GLY 12 13 13 GLY GLY X . n +Q 17 13 LEU 13 14 14 LEU LEU X . n +Q 17 14 LEU 14 15 15 LEU LEU X . n +Q 17 15 SER 15 16 16 SER SER X . n +Q 17 16 GLY 16 17 17 GLY GLY X . n +Q 17 17 ALA 17 18 18 ALA ALA X . n +Q 17 18 VAL 18 19 19 VAL VAL X . n +Q 17 19 VAL 19 20 20 VAL VAL X . n +Q 17 20 LEU 20 21 21 LEU LEU X . n +Q 17 21 GLY 21 22 22 GLY GLY X . n +Q 17 22 LEU 22 23 23 LEU LEU X . n +Q 17 23 THR 23 24 24 THR THR X . n +Q 17 24 PHE 24 25 25 PHE PHE X . n +Q 17 25 ALA 25 26 26 ALA ALA X . n +Q 17 26 VAL 26 27 27 VAL VAL X . n +Q 17 27 LEU 27 28 28 LEU LEU X . n +Q 17 28 ILE 28 29 29 ILE ILE X . n +Q 17 29 ALA 29 30 30 ALA ALA X . n +Q 17 30 ILE 30 31 31 ILE ILE X . n +Q 17 31 SER 31 32 32 SER SER X . n +Q 17 32 GLN 32 33 33 GLN GLN X . n +Q 17 33 ILE 33 34 34 ILE ILE X . n +Q 17 34 ASP 34 35 35 ASP ASP X . n +Q 17 35 LYS 35 36 36 LYS LYS X . n +Q 17 36 VAL 36 37 37 VAL VAL X . n +Q 17 37 GLN 37 38 38 GLN GLN X . n +Q 17 38 ARG 38 39 39 ARG ARG X . n +Q 17 39 SER 39 40 ? ? ? X . n +Q 17 40 LEU 40 41 ? ? ? X . n +R 18 1 GLU 1 17 ? ? ? Y . n +R 18 2 VAL 2 18 18 VAL VAL Y . n +R 18 3 ILE 3 19 19 ILE ILE Y . n +R 18 4 ALA 4 20 20 ALA ALA Y . n +R 18 5 GLN 5 21 21 GLN GLN Y . n +R 18 6 LEU 6 22 22 LEU LEU Y . n +R 18 7 THR 7 23 23 THR THR Y . n +R 18 8 MET 8 24 24 MET MET Y . n +R 18 9 ILE 9 25 25 ILE ILE Y . n +R 18 10 ALA 10 26 26 ALA ALA Y . n +R 18 11 MET 11 27 27 MET MET Y . n +R 18 12 ILE 12 28 28 ILE ILE Y . n +R 18 13 GLY 13 29 29 GLY GLY Y . n +R 18 14 ILE 14 30 30 ILE ILE Y . n +R 18 15 ALA 15 31 31 ALA ALA Y . n +R 18 16 GLY 16 32 32 GLY GLY Y . n +R 18 17 PRO 17 33 33 PRO PRO Y . n +R 18 18 MET 18 34 34 MET MET Y . n +R 18 19 ILE 19 35 35 ILE ILE Y . n +R 18 20 ILE 20 36 36 ILE ILE Y . n +R 18 21 PHE 21 37 37 PHE PHE Y . n +R 18 22 LEU 22 38 38 LEU LEU Y . n +R 18 23 LEU 23 39 39 LEU LEU Y . n +R 18 24 ALA 24 40 40 ALA ALA Y . n +R 18 25 VAL 25 41 41 VAL VAL Y . n +R 18 26 ARG 26 42 42 ARG ARG Y . n +R 18 27 ARG 27 43 43 ARG ARG Y . n +R 18 28 GLY 28 44 44 GLY GLY Y . n +R 18 29 ASN 29 45 45 ASN ASN Y . n +R 18 30 LEU 30 46 46 LEU LEU Y . n +S 1 1 MET 1 1 ? ? ? a . n +S 1 2 THR 2 2 ? ? ? a . n +S 1 3 THR 3 3 ? ? ? a . n +S 1 4 THR 4 4 ? ? ? a . n +S 1 5 LEU 5 5 ? ? ? a . n +S 1 6 GLN 6 6 ? ? ? a . n +S 1 7 ARG 7 7 ? ? ? a . n +S 1 8 ARG 8 8 ? ? ? a . n +S 1 9 GLU 9 9 ? ? ? a . n +S 1 10 SER 10 10 ? ? ? a . n +S 1 11 ALA 11 11 11 ALA ALA a . n +S 1 12 ASN 12 12 12 ASN ASN a . n +S 1 13 LEU 13 13 13 LEU LEU a . n +S 1 14 TRP 14 14 14 TRP TRP a . n +S 1 15 GLU 15 15 15 GLU GLU a . n +S 1 16 ARG 16 16 16 ARG ARG a . n +S 1 17 PHE 17 17 17 PHE PHE a . n +S 1 18 CYS 18 18 18 CYS CYS a . n +S 1 19 ASN 19 19 19 ASN ASN a . n +S 1 20 TRP 20 20 20 TRP TRP a . n +S 1 21 VAL 21 21 21 VAL VAL a . n +S 1 22 THR 22 22 22 THR THR a . n +S 1 23 SER 23 23 23 SER SER a . n +S 1 24 THR 24 24 24 THR THR a . n +S 1 25 ASP 25 25 25 ASP ASP a . n +S 1 26 ASN 26 26 26 ASN ASN a . n +S 1 27 ARG 27 27 27 ARG ARG a . n +S 1 28 LEU 28 28 28 LEU LEU a . n +S 1 29 TYR 29 29 29 TYR TYR a . n +S 1 30 VAL 30 30 30 VAL VAL a . n +S 1 31 GLY 31 31 31 GLY GLY a . n +S 1 32 TRP 32 32 32 TRP TRP a . n +S 1 33 PHE 33 33 33 PHE PHE a . n +S 1 34 GLY 34 34 34 GLY GLY a . n +S 1 35 VAL 35 35 35 VAL VAL a . n +S 1 36 ILE 36 36 36 ILE ILE a . n +S 1 37 MET 37 37 37 MET MET a . n +S 1 38 ILE 38 38 38 ILE ILE a . n +S 1 39 PRO 39 39 39 PRO PRO a . n +S 1 40 THR 40 40 40 THR THR a . n +S 1 41 LEU 41 41 41 LEU LEU a . n +S 1 42 LEU 42 42 42 LEU LEU a . n +S 1 43 ALA 43 43 43 ALA ALA a . n +S 1 44 ALA 44 44 44 ALA ALA a . n +S 1 45 THR 45 45 45 THR THR a . n +S 1 46 ILE 46 46 46 ILE ILE a . n +S 1 47 CYS 47 47 47 CYS CYS a . n +S 1 48 PHE 48 48 48 PHE PHE a . n +S 1 49 VAL 49 49 49 VAL VAL a . n +S 1 50 ILE 50 50 50 ILE ILE a . n +S 1 51 ALA 51 51 51 ALA ALA a . n +S 1 52 PHE 52 52 52 PHE PHE a . n +S 1 53 ILE 53 53 53 ILE ILE a . n +S 1 54 ALA 54 54 54 ALA ALA a . n +S 1 55 ALA 55 55 55 ALA ALA a . n +S 1 56 PRO 56 56 56 PRO PRO a . n +S 1 57 PRO 57 57 57 PRO PRO a . n +S 1 58 VAL 58 58 58 VAL VAL a . n +S 1 59 ASP 59 59 59 ASP ASP a . n +S 1 60 ILE 60 60 60 ILE ILE a . n +S 1 61 ASP 61 61 61 ASP ASP a . n +S 1 62 GLY 62 62 62 GLY GLY a . n +S 1 63 ILE 63 63 63 ILE ILE a . n +S 1 64 ARG 64 64 64 ARG ARG a . n +S 1 65 GLU 65 65 65 GLU GLU a . n +S 1 66 PRO 66 66 66 PRO PRO a . n +S 1 67 VAL 67 67 67 VAL VAL a . n +S 1 68 SER 68 68 68 SER SER a . n +S 1 69 GLY 69 69 69 GLY GLY a . n +S 1 70 SER 70 70 70 SER SER a . n +S 1 71 LEU 71 71 71 LEU LEU a . n +S 1 72 LEU 72 72 72 LEU LEU a . n +S 1 73 TYR 73 73 73 TYR TYR a . n +S 1 74 GLY 74 74 74 GLY GLY a . n +S 1 75 ASN 75 75 75 ASN ASN a . n +S 1 76 ASN 76 76 76 ASN ASN a . n +S 1 77 ILE 77 77 77 ILE ILE a . n +S 1 78 ILE 78 78 78 ILE ILE a . n +S 1 79 THR 79 79 79 THR THR a . n +S 1 80 GLY 80 80 80 GLY GLY a . n +S 1 81 ALA 81 81 81 ALA ALA a . n +S 1 82 VAL 82 82 82 VAL VAL a . n +S 1 83 VAL 83 83 83 VAL VAL a . n +S 1 84 PRO 84 84 84 PRO PRO a . n +S 1 85 SER 85 85 85 SER SER a . n +S 1 86 SER 86 86 86 SER SER a . n +S 1 87 ASN 87 87 87 ASN ASN a . n +S 1 88 ALA 88 88 88 ALA ALA a . n +S 1 89 ILE 89 89 89 ILE ILE a . n +S 1 90 GLY 90 90 90 GLY GLY a . n +S 1 91 LEU 91 91 91 LEU LEU a . n +S 1 92 HIS 92 92 92 HIS HIS a . n +S 1 93 PHE 93 93 93 PHE PHE a . n +S 1 94 TYR 94 94 94 TYR TYR a . n +S 1 95 PRO 95 95 95 PRO PRO a . n +S 1 96 ILE 96 96 96 ILE ILE a . n +S 1 97 TRP 97 97 97 TRP TRP a . n +S 1 98 GLU 98 98 98 GLU GLU a . n +S 1 99 ALA 99 99 99 ALA ALA a . n +S 1 100 ALA 100 100 100 ALA ALA a . n +S 1 101 SER 101 101 101 SER SER a . n +S 1 102 LEU 102 102 102 LEU LEU a . n +S 1 103 ASP 103 103 103 ASP ASP a . n +S 1 104 GLU 104 104 104 GLU GLU a . n +S 1 105 TRP 105 105 105 TRP TRP a . n +S 1 106 LEU 106 106 106 LEU LEU a . n +S 1 107 TYR 107 107 107 TYR TYR a . n +S 1 108 ASN 108 108 108 ASN ASN a . n +S 1 109 GLY 109 109 109 GLY GLY a . n +S 1 110 GLY 110 110 110 GLY GLY a . n +S 1 111 PRO 111 111 111 PRO PRO a . n +S 1 112 TYR 112 112 112 TYR TYR a . n +S 1 113 GLN 113 113 113 GLN GLN a . n +S 1 114 LEU 114 114 114 LEU LEU a . n +S 1 115 ILE 115 115 115 ILE ILE a . n +S 1 116 ILE 116 116 116 ILE ILE a . n +S 1 117 PHE 117 117 117 PHE PHE a . n +S 1 118 HIS 118 118 118 HIS HIS a . n +S 1 119 PHE 119 119 119 PHE PHE a . n +S 1 120 LEU 120 120 120 LEU LEU a . n +S 1 121 LEU 121 121 121 LEU LEU a . n +S 1 122 GLY 122 122 122 GLY GLY a . n +S 1 123 ALA 123 123 123 ALA ALA a . n +S 1 124 SER 124 124 124 SER SER a . n +S 1 125 CYS 125 125 125 CYS CYS a . n +S 1 126 TYR 126 126 126 TYR TYR a . n +S 1 127 MET 127 127 127 MET MET a . n +S 1 128 GLY 128 128 128 GLY GLY a . n +S 1 129 ARG 129 129 129 ARG ARG a . n +S 1 130 GLN 130 130 130 GLN GLN a . n +S 1 131 TRP 131 131 131 TRP TRP a . n +S 1 132 GLU 132 132 132 GLU GLU a . n +S 1 133 LEU 133 133 133 LEU LEU a . n +S 1 134 SER 134 134 134 SER SER a . n +S 1 135 TYR 135 135 135 TYR TYR a . n +S 1 136 ARG 136 136 136 ARG ARG a . n +S 1 137 LEU 137 137 137 LEU LEU a . n +S 1 138 GLY 138 138 138 GLY GLY a . n +S 1 139 MET 139 139 139 MET MET a . n +S 1 140 ARG 140 140 140 ARG ARG a . n +S 1 141 PRO 141 141 141 PRO PRO a . n +S 1 142 TRP 142 142 142 TRP TRP a . n +S 1 143 ILE 143 143 143 ILE ILE a . n +S 1 144 CYS 144 144 144 CYS CYS a . n +S 1 145 VAL 145 145 145 VAL VAL a . n +S 1 146 ALA 146 146 146 ALA ALA a . n +S 1 147 TYR 147 147 147 TYR TYR a . n +S 1 148 SER 148 148 148 SER SER a . n +S 1 149 ALA 149 149 149 ALA ALA a . n +S 1 150 PRO 150 150 150 PRO PRO a . n +S 1 151 LEU 151 151 151 LEU LEU a . n +S 1 152 ALA 152 152 152 ALA ALA a . n +S 1 153 SER 153 153 153 SER SER a . n +S 1 154 ALA 154 154 154 ALA ALA a . n +S 1 155 PHE 155 155 155 PHE PHE a . n +S 1 156 ALA 156 156 156 ALA ALA a . n +S 1 157 VAL 157 157 157 VAL VAL a . n +S 1 158 PHE 158 158 158 PHE PHE a . n +S 1 159 LEU 159 159 159 LEU LEU a . n +S 1 160 ILE 160 160 160 ILE ILE a . n +S 1 161 TYR 161 161 161 TYR TYR a . n +S 1 162 PRO 162 162 162 PRO PRO a . n +S 1 163 ILE 163 163 163 ILE ILE a . n +S 1 164 GLY 164 164 164 GLY GLY a . n +S 1 165 GLN 165 165 165 GLN GLN a . n +S 1 166 GLY 166 166 166 GLY GLY a . n +S 1 167 SER 167 167 167 SER SER a . n +S 1 168 PHE 168 168 168 PHE PHE a . n +S 1 169 SER 169 169 169 SER SER a . n +S 1 170 ASP 170 170 170 ASP ASP a . n +S 1 171 GLY 171 171 171 GLY GLY a . n +S 1 172 MET 172 172 172 MET MET a . n +S 1 173 PRO 173 173 173 PRO PRO a . n +S 1 174 LEU 174 174 174 LEU LEU a . n +S 1 175 GLY 175 175 175 GLY GLY a . n +S 1 176 ILE 176 176 176 ILE ILE a . n +S 1 177 SER 177 177 177 SER SER a . n +S 1 178 GLY 178 178 178 GLY GLY a . n +S 1 179 THR 179 179 179 THR THR a . n +S 1 180 PHE 180 180 180 PHE PHE a . n +S 1 181 ASN 181 181 181 ASN ASN a . n +S 1 182 PHE 182 182 182 PHE PHE a . n +S 1 183 MET 183 183 183 MET MET a . n +S 1 184 ILE 184 184 184 ILE ILE a . n +S 1 185 VAL 185 185 185 VAL VAL a . n +S 1 186 PHE 186 186 186 PHE PHE a . n +S 1 187 GLN 187 187 187 GLN GLN a . n +S 1 188 ALA 188 188 188 ALA ALA a . n +S 1 189 GLU 189 189 189 GLU GLU a . n +S 1 190 HIS 190 190 190 HIS HIS a . n +S 1 191 ASN 191 191 191 ASN ASN a . n +S 1 192 ILE 192 192 192 ILE ILE a . n +S 1 193 LEU 193 193 193 LEU LEU a . n +S 1 194 MET 194 194 194 MET MET a . n +S 1 195 HIS 195 195 195 HIS HIS a . n +S 1 196 PRO 196 196 196 PRO PRO a . n +S 1 197 PHE 197 197 197 PHE PHE a . n +S 1 198 HIS 198 198 198 HIS HIS a . n +S 1 199 GLN 199 199 199 GLN GLN a . n +S 1 200 LEU 200 200 200 LEU LEU a . n +S 1 201 GLY 201 201 201 GLY GLY a . n +S 1 202 VAL 202 202 202 VAL VAL a . n +S 1 203 ALA 203 203 203 ALA ALA a . n +S 1 204 GLY 204 204 204 GLY GLY a . n +S 1 205 VAL 205 205 205 VAL VAL a . n +S 1 206 PHE 206 206 206 PHE PHE a . n +S 1 207 GLY 207 207 207 GLY GLY a . n +S 1 208 GLY 208 208 208 GLY GLY a . n +S 1 209 ALA 209 209 209 ALA ALA a . n +S 1 210 LEU 210 210 210 LEU LEU a . n +S 1 211 PHE 211 211 211 PHE PHE a . n +S 1 212 CYS 212 212 212 CYS CYS a . n +S 1 213 ALA 213 213 213 ALA ALA a . n +S 1 214 MET 214 214 214 MET MET a . n +S 1 215 HIS 215 215 215 HIS HIS a . n +S 1 216 GLY 216 216 216 GLY GLY a . n +S 1 217 SER 217 217 217 SER SER a . n +S 1 218 LEU 218 218 218 LEU LEU a . n +S 1 219 VAL 219 219 219 VAL VAL a . n +S 1 220 THR 220 220 220 THR THR a . n +S 1 221 SER 221 221 221 SER SER a . n +S 1 222 SER 222 222 222 SER SER a . n +S 1 223 LEU 223 223 223 LEU LEU a . n +S 1 224 ILE 224 224 224 ILE ILE a . n +S 1 225 ARG 225 225 225 ARG ARG a . n +S 1 226 GLU 226 226 226 GLU GLU a . n +S 1 227 THR 227 227 227 THR THR a . n +S 1 228 THR 228 228 228 THR THR a . n +S 1 229 GLU 229 229 229 GLU GLU a . n +S 1 230 THR 230 230 230 THR THR a . n +S 1 231 GLU 231 231 231 GLU GLU a . n +S 1 232 SER 232 232 232 SER SER a . n +S 1 233 ALA 233 233 233 ALA ALA a . n +S 1 234 ASN 234 234 234 ASN ASN a . n +S 1 235 TYR 235 235 235 TYR TYR a . n +S 1 236 GLY 236 236 236 GLY GLY a . n +S 1 237 TYR 237 237 237 TYR TYR a . n +S 1 238 LYS 238 238 238 LYS LYS a . n +S 1 239 PHE 239 239 239 PHE PHE a . n +S 1 240 GLY 240 240 240 GLY GLY a . n +S 1 241 GLN 241 241 241 GLN GLN a . n +S 1 242 GLU 242 242 242 GLU GLU a . n +S 1 243 GLU 243 243 243 GLU GLU a . n +S 1 244 GLU 244 244 244 GLU GLU a . n +S 1 245 THR 245 245 245 THR THR a . n +S 1 246 TYR 246 246 246 TYR TYR a . n +S 1 247 ASN 247 247 247 ASN ASN a . n +S 1 248 ILE 248 248 248 ILE ILE a . n +S 1 249 VAL 249 249 249 VAL VAL a . n +S 1 250 ALA 250 250 250 ALA ALA a . n +S 1 251 ALA 251 251 251 ALA ALA a . n +S 1 252 HIS 252 252 252 HIS HIS a . n +S 1 253 GLY 253 253 253 GLY GLY a . n +S 1 254 TYR 254 254 254 TYR TYR a . n +S 1 255 PHE 255 255 255 PHE PHE a . n +S 1 256 GLY 256 256 256 GLY GLY a . n +S 1 257 ARG 257 257 257 ARG ARG a . n +S 1 258 LEU 258 258 258 LEU LEU a . n +S 1 259 ILE 259 259 259 ILE ILE a . n +S 1 260 PHE 260 260 260 PHE PHE a . n +S 1 261 GLN 261 261 261 GLN GLN a . n +S 1 262 TYR 262 262 262 TYR TYR a . n +S 1 263 ALA 263 263 263 ALA ALA a . n +S 1 264 SER 264 264 264 SER SER a . n +S 1 265 PHE 265 265 265 PHE PHE a . n +S 1 266 ASN 266 266 266 ASN ASN a . n +S 1 267 ASN 267 267 267 ASN ASN a . n +S 1 268 SER 268 268 268 SER SER a . n +S 1 269 ARG 269 269 269 ARG ARG a . n +S 1 270 SER 270 270 270 SER SER a . n +S 1 271 LEU 271 271 271 LEU LEU a . n +S 1 272 HIS 272 272 272 HIS HIS a . n +S 1 273 PHE 273 273 273 PHE PHE a . n +S 1 274 PHE 274 274 274 PHE PHE a . n +S 1 275 LEU 275 275 275 LEU LEU a . n +S 1 276 ALA 276 276 276 ALA ALA a . n +S 1 277 ALA 277 277 277 ALA ALA a . n +S 1 278 TRP 278 278 278 TRP TRP a . n +S 1 279 PRO 279 279 279 PRO PRO a . n +S 1 280 VAL 280 280 280 VAL VAL a . n +S 1 281 VAL 281 281 281 VAL VAL a . n +S 1 282 GLY 282 282 282 GLY GLY a . n +S 1 283 VAL 283 283 283 VAL VAL a . n +S 1 284 TRP 284 284 284 TRP TRP a . n +S 1 285 PHE 285 285 285 PHE PHE a . n +S 1 286 ALA 286 286 286 ALA ALA a . n +S 1 287 ALA 287 287 287 ALA ALA a . n +S 1 288 LEU 288 288 288 LEU LEU a . n +S 1 289 GLY 289 289 289 GLY GLY a . n +S 1 290 ILE 290 290 290 ILE ILE a . n +S 1 291 SER 291 291 291 SER SER a . n +S 1 292 THR 292 292 292 THR THR a . n +S 1 293 MET 293 293 293 MET MET a . n +S 1 294 ALA 294 294 294 ALA ALA a . n +S 1 295 PHE 295 295 295 PHE PHE a . n +S 1 296 ASN 296 296 296 ASN ASN a . n +S 1 297 LEU 297 297 297 LEU LEU a . n +S 1 298 ASN 298 298 298 ASN ASN a . n +S 1 299 GLY 299 299 299 GLY GLY a . n +S 1 300 PHE 300 300 300 PHE PHE a . n +S 1 301 ASN 301 301 301 ASN ASN a . n +S 1 302 PHE 302 302 302 PHE PHE a . n +S 1 303 ASN 303 303 303 ASN ASN a . n +S 1 304 HIS 304 304 304 HIS HIS a . n +S 1 305 SER 305 305 305 SER SER a . n +S 1 306 VAL 306 306 306 VAL VAL a . n +S 1 307 ILE 307 307 307 ILE ILE a . n +S 1 308 ASP 308 308 308 ASP ASP a . n +S 1 309 ALA 309 309 309 ALA ALA a . n +S 1 310 LYS 310 310 310 LYS LYS a . n +S 1 311 GLY 311 311 311 GLY GLY a . n +S 1 312 ASN 312 312 312 ASN ASN a . n +S 1 313 VAL 313 313 313 VAL VAL a . n +S 1 314 ILE 314 314 314 ILE ILE a . n +S 1 315 ASN 315 315 315 ASN ASN a . n +S 1 316 THR 316 316 316 THR THR a . n +S 1 317 TRP 317 317 317 TRP TRP a . n +S 1 318 ALA 318 318 318 ALA ALA a . n +S 1 319 ASP 319 319 319 ASP ASP a . n +S 1 320 ILE 320 320 320 ILE ILE a . n +S 1 321 ILE 321 321 321 ILE ILE a . n +S 1 322 ASN 322 322 322 ASN ASN a . n +S 1 323 ARG 323 323 323 ARG ARG a . n +S 1 324 ALA 324 324 324 ALA ALA a . n +S 1 325 ASN 325 325 325 ASN ASN a . n +S 1 326 LEU 326 326 326 LEU LEU a . n +S 1 327 GLY 327 327 327 GLY GLY a . n +S 1 328 MET 328 328 328 MET MET a . n +S 1 329 GLU 329 329 329 GLU GLU a . n +S 1 330 VAL 330 330 330 VAL VAL a . n +S 1 331 MET 331 331 331 MET MET a . n +S 1 332 HIS 332 332 332 HIS HIS a . n +S 1 333 GLU 333 333 333 GLU GLU a . n +S 1 334 ARG 334 334 334 ARG ARG a . n +S 1 335 ASN 335 335 335 ASN ASN a . n +S 1 336 ALA 336 336 336 ALA ALA a . n +S 1 337 HIS 337 337 337 HIS HIS a . n +S 1 338 ASN 338 338 338 ASN ASN a . n +S 1 339 PHE 339 339 339 PHE PHE a . n +S 1 340 PRO 340 340 340 PRO PRO a . n +S 1 341 LEU 341 341 341 LEU LEU a . n +S 1 342 ASP 342 342 342 ASP ASP a . n +S 1 343 LEU 343 343 343 LEU LEU a . n +S 1 344 ALA 344 344 344 ALA ALA a . n +T 2 1 GLY 1 2 2 GLY GLY b . n +T 2 2 LEU 2 3 3 LEU LEU b . n +T 2 3 PRO 3 4 4 PRO PRO b . n +T 2 4 TRP 4 5 5 TRP TRP b . n +T 2 5 TYR 5 6 6 TYR TYR b . n +T 2 6 ARG 6 7 7 ARG ARG b . n +T 2 7 VAL 7 8 8 VAL VAL b . n +T 2 8 HIS 8 9 9 HIS HIS b . n +T 2 9 THR 9 10 10 THR THR b . n +T 2 10 VAL 10 11 11 VAL VAL b . n +T 2 11 LEU 11 12 12 LEU LEU b . n +T 2 12 ILE 12 13 13 ILE ILE b . n +T 2 13 ASN 13 14 14 ASN ASN b . n +T 2 14 ASP 14 15 15 ASP ASP b . n +T 2 15 PRO 15 16 16 PRO PRO b . n +T 2 16 GLY 16 17 17 GLY GLY b . n +T 2 17 ARG 17 18 18 ARG ARG b . n +T 2 18 LEU 18 19 19 LEU LEU b . n +T 2 19 ILE 19 20 20 ILE ILE b . n +T 2 20 ALA 20 21 21 ALA ALA b . n +T 2 21 ALA 21 22 22 ALA ALA b . n +T 2 22 HIS 22 23 23 HIS HIS b . n +T 2 23 LEU 23 24 24 LEU LEU b . n +T 2 24 MET 24 25 25 MET MET b . n +T 2 25 HIS 25 26 26 HIS HIS b . n +T 2 26 THR 26 27 27 THR THR b . n +T 2 27 ALA 27 28 28 ALA ALA b . n +T 2 28 LEU 28 29 29 LEU LEU b . n +T 2 29 VAL 29 30 30 VAL VAL b . n +T 2 30 ALA 30 31 31 ALA ALA b . n +T 2 31 GLY 31 32 32 GLY GLY b . n +T 2 32 TRP 32 33 33 TRP TRP b . n +T 2 33 ALA 33 34 34 ALA ALA b . n +T 2 34 GLY 34 35 35 GLY GLY b . n +T 2 35 SER 35 36 36 SER SER b . n +T 2 36 MET 36 37 37 MET MET b . n +T 2 37 ALA 37 38 38 ALA ALA b . n +T 2 38 LEU 38 39 39 LEU LEU b . n +T 2 39 TYR 39 40 40 TYR TYR b . n +T 2 40 GLU 40 41 41 GLU GLU b . n +T 2 41 LEU 41 42 42 LEU LEU b . n +T 2 42 ALA 42 43 43 ALA ALA b . n +T 2 43 THR 43 44 44 THR THR b . n +T 2 44 PHE 44 45 45 PHE PHE b . n +T 2 45 ASP 45 46 46 ASP ASP b . n +T 2 46 PRO 46 47 47 PRO PRO b . n +T 2 47 SER 47 48 48 SER SER b . n +T 2 48 ASP 48 49 49 ASP ASP b . n +T 2 49 PRO 49 50 50 PRO PRO b . n +T 2 50 VAL 50 51 51 VAL VAL b . n +T 2 51 LEU 51 52 52 LEU LEU b . n +T 2 52 ASN 52 53 53 ASN ASN b . n +T 2 53 PRO 53 54 54 PRO PRO b . n +T 2 54 MET 54 55 55 MET MET b . n +T 2 55 TRP 55 56 56 TRP TRP b . n +T 2 56 ARG 56 57 57 ARG ARG b . n +T 2 57 GLN 57 58 58 GLN GLN b . n +T 2 58 GLY 58 59 59 GLY GLY b . n +T 2 59 MET 59 60 60 MET MET b . n +T 2 60 PHE 60 61 61 PHE PHE b . n +T 2 61 VAL 61 62 62 VAL VAL b . n +T 2 62 LEU 62 63 63 LEU LEU b . n +T 2 63 PRO 63 64 64 PRO PRO b . n +T 2 64 PHE 64 65 65 PHE PHE b . n +T 2 65 MET 65 66 66 MET MET b . n +T 2 66 ALA 66 67 67 ALA ALA b . n +T 2 67 ARG 67 68 68 ARG ARG b . n +T 2 68 LEU 68 69 69 LEU LEU b . n +T 2 69 GLY 69 70 70 GLY GLY b . n +T 2 70 VAL 70 71 71 VAL VAL b . n +T 2 71 THR 71 72 72 THR THR b . n +T 2 72 GLY 72 73 73 GLY GLY b . n +T 2 73 SER 73 74 74 SER SER b . n +T 2 74 TRP 74 75 75 TRP TRP b . n +T 2 75 SER 75 76 76 SER SER b . n +T 2 76 GLY 76 77 77 GLY GLY b . n +T 2 77 TRP 77 78 78 TRP TRP b . n +T 2 78 SER 78 79 79 SER SER b . n +T 2 79 ILE 79 80 80 ILE ILE b . n +T 2 80 THR 80 81 81 THR THR b . n +T 2 81 GLY 81 82 82 GLY GLY b . n +T 2 82 GLU 82 83 83 GLU GLU b . n +T 2 83 THR 83 84 84 THR THR b . n +T 2 84 GLY 84 85 85 GLY GLY b . n +T 2 85 ILE 85 86 86 ILE ILE b . n +T 2 86 ASP 86 87 87 ASP ASP b . n +T 2 87 PRO 87 88 88 PRO PRO b . n +T 2 88 GLY 88 89 89 GLY GLY b . n +T 2 89 PHE 89 90 90 PHE PHE b . n +T 2 90 TRP 90 91 91 TRP TRP b . n +T 2 91 SER 91 92 92 SER SER b . n +T 2 92 PHE 92 93 93 PHE PHE b . n +T 2 93 GLU 93 94 94 GLU GLU b . n +T 2 94 GLY 94 95 95 GLY GLY b . n +T 2 95 VAL 95 96 96 VAL VAL b . n +T 2 96 ALA 96 97 97 ALA ALA b . n +T 2 97 LEU 97 98 98 LEU LEU b . n +T 2 98 ALA 98 99 99 ALA ALA b . n +T 2 99 HIS 99 100 100 HIS HIS b . n +T 2 100 ILE 100 101 101 ILE ILE b . n +T 2 101 VAL 101 102 102 VAL VAL b . n +T 2 102 LEU 102 103 103 LEU LEU b . n +T 2 103 SER 103 104 104 SER SER b . n +T 2 104 GLY 104 105 105 GLY GLY b . n +T 2 105 LEU 105 106 106 LEU LEU b . n +T 2 106 LEU 106 107 107 LEU LEU b . n +T 2 107 PHE 107 108 108 PHE PHE b . n +T 2 108 LEU 108 109 109 LEU LEU b . n +T 2 109 ALA 109 110 110 ALA ALA b . n +T 2 110 ALA 110 111 111 ALA ALA b . n +T 2 111 CYS 111 112 112 CYS CYS b . n +T 2 112 TRP 112 113 113 TRP TRP b . n +T 2 113 HIS 113 114 114 HIS HIS b . n +T 2 114 TRP 114 115 115 TRP TRP b . n +T 2 115 VAL 115 116 116 VAL VAL b . n +T 2 116 TYR 116 117 117 TYR TYR b . n +T 2 117 TRP 117 118 118 TRP TRP b . n +T 2 118 ASP 118 119 119 ASP ASP b . n +T 2 119 LEU 119 120 120 LEU LEU b . n +T 2 120 GLU 120 121 121 GLU GLU b . n +T 2 121 LEU 121 122 122 LEU LEU b . n +T 2 122 PHE 122 123 123 PHE PHE b . n +T 2 123 ARG 123 124 124 ARG ARG b . n +T 2 124 ASP 124 125 125 ASP ASP b . n +T 2 125 PRO 125 126 126 PRO PRO b . n +T 2 126 ARG 126 127 127 ARG ARG b . n +T 2 127 THR 127 128 128 THR THR b . n +T 2 128 GLY 128 129 129 GLY GLY b . n +T 2 129 GLU 129 130 130 GLU GLU b . n +T 2 130 PRO 130 131 131 PRO PRO b . n +T 2 131 ALA 131 132 132 ALA ALA b . n +T 2 132 LEU 132 133 133 LEU LEU b . n +T 2 133 ASP 133 134 134 ASP ASP b . n +T 2 134 LEU 134 135 135 LEU LEU b . n +T 2 135 PRO 135 136 136 PRO PRO b . n +T 2 136 LYS 136 137 137 LYS LYS b . n +T 2 137 MET 137 138 138 MET MET b . n +T 2 138 PHE 138 139 139 PHE PHE b . n +T 2 139 GLY 139 140 140 GLY GLY b . n +T 2 140 ILE 140 141 141 ILE ILE b . n +T 2 141 HIS 141 142 142 HIS HIS b . n +T 2 142 LEU 142 143 143 LEU LEU b . n +T 2 143 PHE 143 144 144 PHE PHE b . n +T 2 144 LEU 144 145 145 LEU LEU b . n +T 2 145 ALA 145 146 146 ALA ALA b . n +T 2 146 GLY 146 147 147 GLY GLY b . n +T 2 147 LEU 147 148 148 LEU LEU b . n +T 2 148 LEU 148 149 149 LEU LEU b . n +T 2 149 CYS 149 150 150 CYS CYS b . n +T 2 150 PHE 150 151 151 PHE PHE b . n +T 2 151 GLY 151 152 152 GLY GLY b . n +T 2 152 PHE 152 153 153 PHE PHE b . n +T 2 153 GLY 153 154 154 GLY GLY b . n +T 2 154 ALA 154 155 155 ALA ALA b . n +T 2 155 PHE 155 156 156 PHE PHE b . n +T 2 156 HIS 156 157 157 HIS HIS b . n +T 2 157 LEU 157 158 158 LEU LEU b . n +T 2 158 THR 158 159 159 THR THR b . n +T 2 159 GLY 159 160 160 GLY GLY b . n +T 2 160 LEU 160 161 161 LEU LEU b . n +T 2 161 PHE 161 162 162 PHE PHE b . n +T 2 162 GLY 162 163 163 GLY GLY b . n +T 2 163 PRO 163 164 164 PRO PRO b . n +T 2 164 GLY 164 165 165 GLY GLY b . n +T 2 165 MET 165 166 166 MET MET b . n +T 2 166 TRP 166 167 167 TRP TRP b . n +T 2 167 VAL 167 168 168 VAL VAL b . n +T 2 168 SER 168 169 169 SER SER b . n +T 2 169 ASP 169 170 170 ASP ASP b . n +T 2 170 PRO 170 171 171 PRO PRO b . n +T 2 171 TYR 171 172 172 TYR TYR b . n +T 2 172 GLY 172 173 173 GLY GLY b . n +T 2 173 LEU 173 174 174 LEU LEU b . n +T 2 174 THR 174 175 175 THR THR b . n +T 2 175 GLY 175 176 176 GLY GLY b . n +T 2 176 SER 176 177 177 SER SER b . n +T 2 177 VAL 177 178 178 VAL VAL b . n +T 2 178 GLN 178 179 179 GLN GLN b . n +T 2 179 PRO 179 180 180 PRO PRO b . n +T 2 180 VAL 180 181 181 VAL VAL b . n +T 2 181 ALA 181 182 182 ALA ALA b . n +T 2 182 PRO 182 183 183 PRO PRO b . n +T 2 183 GLU 183 184 184 GLU GLU b . n +T 2 184 TRP 184 185 185 TRP TRP b . n +T 2 185 GLY 185 186 186 GLY GLY b . n +T 2 186 PRO 186 187 187 PRO PRO b . n +T 2 187 ASP 187 188 188 ASP ASP b . n +T 2 188 GLY 188 189 189 GLY GLY b . n +T 2 189 PHE 189 190 190 PHE PHE b . n +T 2 190 ASN 190 191 191 ASN ASN b . n +T 2 191 PRO 191 192 192 PRO PRO b . n +T 2 192 TYR 192 193 193 TYR TYR b . n +T 2 193 ASN 193 194 194 ASN ASN b . n +T 2 194 PRO 194 195 195 PRO PRO b . n +T 2 195 GLY 195 196 196 GLY GLY b . n +T 2 196 GLY 196 197 197 GLY GLY b . n +T 2 197 VAL 197 198 198 VAL VAL b . n +T 2 198 VAL 198 199 199 VAL VAL b . n +T 2 199 ALA 199 200 200 ALA ALA b . n +T 2 200 HIS 200 201 201 HIS HIS b . n +T 2 201 HIS 201 202 202 HIS HIS b . n +T 2 202 ILE 202 203 203 ILE ILE b . n +T 2 203 ALA 203 204 204 ALA ALA b . n +T 2 204 ALA 204 205 205 ALA ALA b . n +T 2 205 GLY 205 206 206 GLY GLY b . n +T 2 206 ILE 206 207 207 ILE ILE b . n +T 2 207 VAL 207 208 208 VAL VAL b . n +T 2 208 GLY 208 209 209 GLY GLY b . n +T 2 209 ILE 209 210 210 ILE ILE b . n +T 2 210 ILE 210 211 211 ILE ILE b . n +T 2 211 ALA 211 212 212 ALA ALA b . n +T 2 212 GLY 212 213 213 GLY GLY b . n +T 2 213 LEU 213 214 214 LEU LEU b . n +T 2 214 PHE 214 215 215 PHE PHE b . n +T 2 215 HIS 215 216 216 HIS HIS b . n +T 2 216 ILE 216 217 217 ILE ILE b . n +T 2 217 LEU 217 218 218 LEU LEU b . n +T 2 218 VAL 218 219 219 VAL VAL b . n +T 2 219 ARG 219 220 220 ARG ARG b . n +T 2 220 PRO 220 221 221 PRO PRO b . n +T 2 221 PRO 221 222 222 PRO PRO b . n +T 2 222 GLN 222 223 223 GLN GLN b . n +T 2 223 ARG 223 224 224 ARG ARG b . n +T 2 224 LEU 224 225 225 LEU LEU b . n +T 2 225 TYR 225 226 226 TYR TYR b . n +T 2 226 LYS 226 227 227 LYS LYS b . n +T 2 227 ALA 227 228 228 ALA ALA b . n +T 2 228 LEU 228 229 229 LEU LEU b . n +T 2 229 ARG 229 230 230 ARG ARG b . n +T 2 230 MET 230 231 231 MET MET b . n +T 2 231 GLY 231 232 232 GLY GLY b . n +T 2 232 ASN 232 233 233 ASN ASN b . n +T 2 233 ILE 233 234 234 ILE ILE b . n +T 2 234 GLU 234 235 235 GLU GLU b . n +T 2 235 THR 235 236 236 THR THR b . n +T 2 236 VAL 236 237 237 VAL VAL b . n +T 2 237 LEU 237 238 238 LEU LEU b . n +T 2 238 SER 238 239 239 SER SER b . n +T 2 239 SER 239 240 240 SER SER b . n +T 2 240 SER 240 241 241 SER SER b . n +T 2 241 ILE 241 242 242 ILE ILE b . n +T 2 242 ALA 242 243 243 ALA ALA b . n +T 2 243 ALA 243 244 244 ALA ALA b . n +T 2 244 VAL 244 245 245 VAL VAL b . n +T 2 245 PHE 245 246 246 PHE PHE b . n +T 2 246 PHE 246 247 247 PHE PHE b . n +T 2 247 ALA 247 248 248 ALA ALA b . n +T 2 248 ALA 248 249 249 ALA ALA b . n +T 2 249 PHE 249 250 250 PHE PHE b . n +T 2 250 VAL 250 251 251 VAL VAL b . n +T 2 251 VAL 251 252 252 VAL VAL b . n +T 2 252 ALA 252 253 253 ALA ALA b . n +T 2 253 GLY 253 254 254 GLY GLY b . n +T 2 254 THR 254 255 255 THR THR b . n +T 2 255 MET 255 256 256 MET MET b . n +T 2 256 TRP 256 257 257 TRP TRP b . n +T 2 257 TYR 257 258 258 TYR TYR b . n +T 2 258 GLY 258 259 259 GLY GLY b . n +T 2 259 SER 259 260 260 SER SER b . n +T 2 260 ALA 260 261 261 ALA ALA b . n +T 2 261 THR 261 262 262 THR THR b . n +T 2 262 THR 262 263 263 THR THR b . n +T 2 263 PRO 263 264 264 PRO PRO b . n +T 2 264 ILE 264 265 265 ILE ILE b . n +T 2 265 GLU 265 266 266 GLU GLU b . n +T 2 266 LEU 266 267 267 LEU LEU b . n +T 2 267 PHE 267 268 268 PHE PHE b . n +T 2 268 GLY 268 269 269 GLY GLY b . n +T 2 269 PRO 269 270 270 PRO PRO b . n +T 2 270 THR 270 271 271 THR THR b . n +T 2 271 ARG 271 272 272 ARG ARG b . n +T 2 272 TYR 272 273 273 TYR TYR b . n +T 2 273 GLN 273 274 274 GLN GLN b . n +T 2 274 TRP 274 275 275 TRP TRP b . n +T 2 275 ASP 275 276 276 ASP ASP b . n +T 2 276 SER 276 277 277 SER SER b . n +T 2 277 SER 277 278 278 SER SER b . n +T 2 278 TYR 278 279 279 TYR TYR b . n +T 2 279 PHE 279 280 280 PHE PHE b . n +T 2 280 GLN 280 281 281 GLN GLN b . n +T 2 281 GLN 281 282 282 GLN GLN b . n +T 2 282 GLU 282 283 283 GLU GLU b . n +T 2 283 ILE 283 284 284 ILE ILE b . n +T 2 284 ASN 284 285 285 ASN ASN b . n +T 2 285 ARG 285 286 286 ARG ARG b . n +T 2 286 ARG 286 287 287 ARG ARG b . n +T 2 287 VAL 287 288 288 VAL VAL b . n +T 2 288 GLN 288 289 289 GLN GLN b . n +T 2 289 ALA 289 290 290 ALA ALA b . n +T 2 290 SER 290 291 291 SER SER b . n +T 2 291 LEU 291 292 292 LEU LEU b . n +T 2 292 ALA 292 293 293 ALA ALA b . n +T 2 293 SER 293 294 294 SER SER b . n +T 2 294 GLY 294 295 295 GLY GLY b . n +T 2 295 ALA 295 296 296 ALA ALA b . n +T 2 296 THR 296 297 297 THR THR b . n +T 2 297 LEU 297 298 298 LEU LEU b . n +T 2 298 GLU 298 299 299 GLU GLU b . n +T 2 299 GLU 299 300 300 GLU GLU b . n +T 2 300 ALA 300 301 301 ALA ALA b . n +T 2 301 TRP 301 302 302 TRP TRP b . n +T 2 302 SER 302 303 303 SER SER b . n +T 2 303 ALA 303 304 304 ALA ALA b . n +T 2 304 ILE 304 305 305 ILE ILE b . n +T 2 305 PRO 305 306 306 PRO PRO b . n +T 2 306 GLU 306 307 307 GLU GLU b . n +T 2 307 LYS 307 308 308 LYS LYS b . n +T 2 308 LEU 308 309 309 LEU LEU b . n +T 2 309 ALA 309 310 310 ALA ALA b . n +T 2 310 PHE 310 311 311 PHE PHE b . n +T 2 311 TYR 311 312 312 TYR TYR b . n +T 2 312 ASP 312 313 313 ASP ASP b . n +T 2 313 TYR 313 314 314 TYR TYR b . n +T 2 314 ILE 314 315 315 ILE ILE b . n +T 2 315 GLY 315 316 316 GLY GLY b . n +T 2 316 ASN 316 317 317 ASN ASN b . n +T 2 317 ASN 317 318 318 ASN ASN b . n +T 2 318 PRO 318 319 319 PRO PRO b . n +T 2 319 ALA 319 320 320 ALA ALA b . n +T 2 320 LYS 320 321 321 LYS LYS b . n +T 2 321 GLY 321 322 322 GLY GLY b . n +T 2 322 GLY 322 323 323 GLY GLY b . n +T 2 323 LEU 323 324 324 LEU LEU b . n +T 2 324 PHE 324 325 325 PHE PHE b . n +T 2 325 ARG 325 326 326 ARG ARG b . n +T 2 326 THR 326 327 327 THR THR b . n +T 2 327 GLY 327 328 328 GLY GLY b . n +T 2 328 PRO 328 329 329 PRO PRO b . n +T 2 329 MET 329 330 330 MET MET b . n +T 2 330 ASN 330 331 331 ASN ASN b . n +T 2 331 LYS 331 332 332 LYS LYS b . n +T 2 332 GLY 332 333 333 GLY GLY b . n +T 2 333 ASP 333 334 334 ASP ASP b . n +T 2 334 GLY 334 335 335 GLY GLY b . n +T 2 335 ILE 335 336 336 ILE ILE b . n +T 2 336 ALA 336 337 337 ALA ALA b . n +T 2 337 GLN 337 338 338 GLN GLN b . n +T 2 338 ALA 338 339 339 ALA ALA b . n +T 2 339 TRP 339 340 340 TRP TRP b . n +T 2 340 LYS 340 341 341 LYS LYS b . n +T 2 341 GLY 341 342 342 GLY GLY b . n +T 2 342 HIS 342 343 343 HIS HIS b . n +T 2 343 ALA 343 344 344 ALA ALA b . n +T 2 344 VAL 344 345 345 VAL VAL b . n +T 2 345 PHE 345 346 346 PHE PHE b . n +T 2 346 ARG 346 347 347 ARG ARG b . n +T 2 347 ASN 347 348 348 ASN ASN b . n +T 2 348 LYS 348 349 349 LYS LYS b . n +T 2 349 GLU 349 350 350 GLU GLU b . n +T 2 350 GLY 350 351 351 GLY GLY b . n +T 2 351 GLU 351 352 352 GLU GLU b . n +T 2 352 GLU 352 353 353 GLU GLU b . n +T 2 353 LEU 353 354 354 LEU LEU b . n +T 2 354 PHE 354 355 355 PHE PHE b . n +T 2 355 VAL 355 356 356 VAL VAL b . n +T 2 356 ARG 356 357 357 ARG ARG b . n +T 2 357 ARG 357 358 358 ARG ARG b . n +T 2 358 MET 358 359 359 MET MET b . n +T 2 359 PRO 359 360 360 PRO PRO b . n +T 2 360 ALA 360 361 361 ALA ALA b . n +T 2 361 PHE 361 362 362 PHE PHE b . n +T 2 362 PHE 362 363 363 PHE PHE b . n +T 2 363 GLU 363 364 364 GLU GLU b . n +T 2 364 SER 364 365 365 SER SER b . n +T 2 365 PHE 365 366 366 PHE PHE b . n +T 2 366 PRO 366 367 367 PRO PRO b . n +T 2 367 VAL 367 368 368 VAL VAL b . n +T 2 368 ILE 368 369 369 ILE ILE b . n +T 2 369 LEU 369 370 370 LEU LEU b . n +T 2 370 THR 370 371 371 THR THR b . n +T 2 371 ASP 371 372 372 ASP ASP b . n +T 2 372 LYS 372 373 373 LYS LYS b . n +T 2 373 ASN 373 374 374 ASN ASN b . n +T 2 374 GLY 374 375 375 GLY GLY b . n +T 2 375 VAL 375 376 376 VAL VAL b . n +T 2 376 VAL 376 377 377 VAL VAL b . n +T 2 377 LYS 377 378 378 LYS LYS b . n +T 2 378 ALA 378 379 379 ALA ALA b . n +T 2 379 ASP 379 380 380 ASP ASP b . n +T 2 380 ILE 380 381 381 ILE ILE b . n +T 2 381 PRO 381 382 382 PRO PRO b . n +T 2 382 PHE 382 383 383 PHE PHE b . n +T 2 383 ARG 383 384 384 ARG ARG b . n +T 2 384 ARG 384 385 385 ARG ARG b . n +T 2 385 ALA 385 386 386 ALA ALA b . n +T 2 386 GLU 386 387 387 GLU GLU b . n +T 2 387 SER 387 388 388 SER SER b . n +T 2 388 LYS 388 389 389 LYS LYS b . n +T 2 389 TYR 389 390 390 TYR TYR b . n +T 2 390 SER 390 391 391 SER SER b . n +T 2 391 PHE 391 392 392 PHE PHE b . n +T 2 392 GLU 392 393 393 GLU GLU b . n +T 2 393 GLN 393 394 394 GLN GLN b . n +T 2 394 GLN 394 395 395 GLN GLN b . n +T 2 395 GLY 395 396 396 GLY GLY b . n +T 2 396 VAL 396 397 397 VAL VAL b . n +T 2 397 THR 397 398 398 THR THR b . n +T 2 398 VAL 398 399 399 VAL VAL b . n +T 2 399 SER 399 400 400 SER SER b . n +T 2 400 PHE 400 401 401 PHE PHE b . n +T 2 401 TYR 401 402 402 TYR TYR b . n +T 2 402 GLY 402 403 403 GLY GLY b . n +T 2 403 GLY 403 404 404 GLY GLY b . n +T 2 404 GLU 404 405 405 GLU GLU b . n +T 2 405 LEU 405 406 406 LEU LEU b . n +T 2 406 ASN 406 407 407 ASN ASN b . n +T 2 407 GLY 407 408 408 GLY GLY b . n +T 2 408 GLN 408 409 409 GLN GLN b . n +T 2 409 THR 409 410 410 THR THR b . n +T 2 410 PHE 410 411 411 PHE PHE b . n +T 2 411 THR 411 412 412 THR THR b . n +T 2 412 ASP 412 413 413 ASP ASP b . n +T 2 413 PRO 413 414 414 PRO PRO b . n +T 2 414 PRO 414 415 415 PRO PRO b . n +T 2 415 THR 415 416 416 THR THR b . n +T 2 416 VAL 416 417 417 VAL VAL b . n +T 2 417 LYS 417 418 418 LYS LYS b . n +T 2 418 SER 418 419 419 SER SER b . n +T 2 419 TYR 419 420 420 TYR TYR b . n +T 2 420 ALA 420 421 421 ALA ALA b . n +T 2 421 ARG 421 422 422 ARG ARG b . n +T 2 422 LYS 422 423 423 LYS LYS b . n +T 2 423 ALA 423 424 424 ALA ALA b . n +T 2 424 ILE 424 425 425 ILE ILE b . n +T 2 425 PHE 425 426 426 PHE PHE b . n +T 2 426 GLY 426 427 427 GLY GLY b . n +T 2 427 GLU 427 428 428 GLU GLU b . n +T 2 428 ILE 428 429 429 ILE ILE b . n +T 2 429 PHE 429 430 430 PHE PHE b . n +T 2 430 GLU 430 431 431 GLU GLU b . n +T 2 431 PHE 431 432 432 PHE PHE b . n +T 2 432 ASP 432 433 433 ASP ASP b . n +T 2 433 THR 433 434 434 THR THR b . n +T 2 434 GLU 434 435 435 GLU GLU b . n +T 2 435 THR 435 436 436 THR THR b . n +T 2 436 LEU 436 437 437 LEU LEU b . n +T 2 437 ASN 437 438 438 ASN ASN b . n +T 2 438 SER 438 439 439 SER SER b . n +T 2 439 ASP 439 440 440 ASP ASP b . n +T 2 440 GLY 440 441 441 GLY GLY b . n +T 2 441 ILE 441 442 442 ILE ILE b . n +T 2 442 PHE 442 443 443 PHE PHE b . n +T 2 443 ARG 443 444 444 ARG ARG b . n +T 2 444 THR 444 445 445 THR THR b . n +T 2 445 SER 445 446 446 SER SER b . n +T 2 446 PRO 446 447 447 PRO PRO b . n +T 2 447 ARG 447 448 448 ARG ARG b . n +T 2 448 GLY 448 449 449 GLY GLY b . n +T 2 449 TRP 449 450 450 TRP TRP b . n +T 2 450 PHE 450 451 451 PHE PHE b . n +T 2 451 THR 451 452 452 THR THR b . n +T 2 452 PHE 452 453 453 PHE PHE b . n +T 2 453 ALA 453 454 454 ALA ALA b . n +T 2 454 HIS 454 455 455 HIS HIS b . n +T 2 455 ALA 455 456 456 ALA ALA b . n +T 2 456 VAL 456 457 457 VAL VAL b . n +T 2 457 PHE 457 458 458 PHE PHE b . n +T 2 458 ALA 458 459 459 ALA ALA b . n +T 2 459 LEU 459 460 460 LEU LEU b . n +T 2 460 LEU 460 461 461 LEU LEU b . n +T 2 461 PHE 461 462 462 PHE PHE b . n +T 2 462 PHE 462 463 463 PHE PHE b . n +T 2 463 PHE 463 464 464 PHE PHE b . n +T 2 464 GLY 464 465 465 GLY GLY b . n +T 2 465 HIS 465 466 466 HIS HIS b . n +T 2 466 ILE 466 467 467 ILE ILE b . n +T 2 467 TRP 467 468 468 TRP TRP b . n +T 2 468 HIS 468 469 469 HIS HIS b . n +T 2 469 GLY 469 470 470 GLY GLY b . n +T 2 470 ALA 470 471 471 ALA ALA b . n +T 2 471 ARG 471 472 472 ARG ARG b . n +T 2 472 THR 472 473 473 THR THR b . n +T 2 473 LEU 473 474 474 LEU LEU b . n +T 2 474 PHE 474 475 475 PHE PHE b . n +T 2 475 ARG 475 476 476 ARG ARG b . n +T 2 476 ASP 476 477 477 ASP ASP b . n +T 2 477 VAL 477 478 478 VAL VAL b . n +T 2 478 PHE 478 479 479 PHE PHE b . n +T 2 479 SER 479 480 480 SER SER b . n +T 2 480 GLY 480 481 481 GLY GLY b . n +T 2 481 ILE 481 482 482 ILE ILE b . n +T 2 482 ASP 482 483 483 ASP ASP b . n +T 2 483 PRO 483 484 484 PRO PRO b . n +T 2 484 GLU 484 485 485 GLU GLU b . n +T 2 485 LEU 485 486 486 LEU LEU b . n +T 2 486 SER 486 487 487 SER SER b . n +T 2 487 PRO 487 488 488 PRO PRO b . n +T 2 488 GLU 488 489 489 GLU GLU b . n +T 2 489 GLN 489 490 490 GLN GLN b . n +T 2 490 VAL 490 491 491 VAL VAL b . n +T 2 491 GLU 491 492 492 GLU GLU b . n +T 2 492 TRP 492 493 493 TRP TRP b . n +T 2 493 GLY 493 494 494 GLY GLY b . n +T 2 494 PHE 494 495 495 PHE PHE b . n +T 2 495 TYR 495 496 496 TYR TYR b . n +T 2 496 GLN 496 497 497 GLN GLN b . n +T 2 497 LYS 497 498 498 LYS LYS b . n +T 2 498 VAL 498 499 499 VAL VAL b . n +T 2 499 GLY 499 500 500 GLY GLY b . n +T 2 500 ASP 500 501 501 ASP ASP b . n +T 2 501 VAL 501 502 502 VAL VAL b . n +T 2 502 THR 502 503 503 THR THR b . n +T 2 503 THR 503 504 504 THR THR b . n +T 2 504 ARG 504 505 505 ARG ARG b . n +T 2 505 LYS 505 506 ? ? ? b . n +U 3 1 ASN 1 19 19 ASN ASN c . n +U 3 2 SER 2 20 20 SER SER c . n +U 3 3 ILE 3 21 21 ILE ILE c . n +U 3 4 PHE 4 22 22 PHE PHE c . n +U 3 5 ALA 5 23 23 ALA ALA c . n +U 3 6 THR 6 24 24 THR THR c . n +U 3 7 ASN 7 25 25 ASN ASN c . n +U 3 8 ARG 8 26 26 ARG ARG c . n +U 3 9 ASP 9 27 27 ASP ASP c . n +U 3 10 GLN 10 28 28 GLN GLN c . n +U 3 11 GLU 11 29 29 GLU GLU c . n +U 3 12 SER 12 30 30 SER SER c . n +U 3 13 SER 13 31 31 SER SER c . n +U 3 14 GLY 14 32 32 GLY GLY c . n +U 3 15 PHE 15 33 33 PHE PHE c . n +U 3 16 ALA 16 34 34 ALA ALA c . n +U 3 17 TRP 17 35 35 TRP TRP c . n +U 3 18 TRP 18 36 36 TRP TRP c . n +U 3 19 ALA 19 37 37 ALA ALA c . n +U 3 20 GLY 20 38 38 GLY GLY c . n +U 3 21 ASN 21 39 39 ASN ASN c . n +U 3 22 ALA 22 40 40 ALA ALA c . n +U 3 23 ARG 23 41 41 ARG ARG c . n +U 3 24 LEU 24 42 42 LEU LEU c . n +U 3 25 ILE 25 43 43 ILE ILE c . n +U 3 26 ASN 26 44 44 ASN ASN c . n +U 3 27 LEU 27 45 45 LEU LEU c . n +U 3 28 SER 28 46 46 SER SER c . n +U 3 29 GLY 29 47 47 GLY GLY c . n +U 3 30 LYS 30 48 48 LYS LYS c . n +U 3 31 LEU 31 49 49 LEU LEU c . n +U 3 32 LEU 32 50 50 LEU LEU c . n +U 3 33 GLY 33 51 51 GLY GLY c . n +U 3 34 ALA 34 52 52 ALA ALA c . n +U 3 35 HIS 35 53 53 HIS HIS c . n +U 3 36 VAL 36 54 54 VAL VAL c . n +U 3 37 ALA 37 55 55 ALA ALA c . n +U 3 38 HIS 38 56 56 HIS HIS c . n +U 3 39 ALA 39 57 57 ALA ALA c . n +U 3 40 GLY 40 58 58 GLY GLY c . n +U 3 41 LEU 41 59 59 LEU LEU c . n +U 3 42 ILE 42 60 60 ILE ILE c . n +U 3 43 VAL 43 61 61 VAL VAL c . n +U 3 44 PHE 44 62 62 PHE PHE c . n +U 3 45 TRP 45 63 63 TRP TRP c . n +U 3 46 ALA 46 64 64 ALA ALA c . n +U 3 47 GLY 47 65 65 GLY GLY c . n +U 3 48 ALA 48 66 66 ALA ALA c . n +U 3 49 MET 49 67 67 MET MET c . n +U 3 50 THR 50 68 68 THR THR c . n +U 3 51 LEU 51 69 69 LEU LEU c . n +U 3 52 PHE 52 70 70 PHE PHE c . n +U 3 53 GLU 53 71 71 GLU GLU c . n +U 3 54 LEU 54 72 72 LEU LEU c . n +U 3 55 ALA 55 73 73 ALA ALA c . n +U 3 56 HIS 56 74 74 HIS HIS c . n +U 3 57 PHE 57 75 75 PHE PHE c . n +U 3 58 ILE 58 76 76 ILE ILE c . n +U 3 59 PRO 59 77 77 PRO PRO c . n +U 3 60 GLU 60 78 78 GLU GLU c . n +U 3 61 LYS 61 79 79 LYS LYS c . n +U 3 62 PRO 62 80 80 PRO PRO c . n +U 3 63 MET 63 81 81 MET MET c . n +U 3 64 TYR 64 82 82 TYR TYR c . n +U 3 65 GLU 65 83 83 GLU GLU c . n +U 3 66 GLN 66 84 84 GLN GLN c . n +U 3 67 GLY 67 85 85 GLY GLY c . n +U 3 68 LEU 68 86 86 LEU LEU c . n +U 3 69 ILE 69 87 87 ILE ILE c . n +U 3 70 LEU 70 88 88 LEU LEU c . n +U 3 71 ILE 71 89 89 ILE ILE c . n +U 3 72 PRO 72 90 90 PRO PRO c . n +U 3 73 HIS 73 91 91 HIS HIS c . n +U 3 74 ILE 74 92 92 ILE ILE c . n +U 3 75 ALA 75 93 93 ALA ALA c . n +U 3 76 THR 76 94 94 THR THR c . n +U 3 77 LEU 77 95 95 LEU LEU c . n +U 3 78 GLY 78 96 96 GLY GLY c . n +U 3 79 TRP 79 97 97 TRP TRP c . n +U 3 80 GLY 80 98 98 GLY GLY c . n +U 3 81 VAL 81 99 99 VAL VAL c . n +U 3 82 GLY 82 100 100 GLY GLY c . n +U 3 83 PRO 83 101 101 PRO PRO c . n +U 3 84 GLY 84 102 102 GLY GLY c . n +U 3 85 GLY 85 103 103 GLY GLY c . n +U 3 86 GLU 86 104 104 GLU GLU c . n +U 3 87 VAL 87 105 105 VAL VAL c . n +U 3 88 VAL 88 106 106 VAL VAL c . n +U 3 89 ASP 89 107 107 ASP ASP c . n +U 3 90 THR 90 108 108 THR THR c . n +U 3 91 PHE 91 109 109 PHE PHE c . n +U 3 92 PRO 92 110 110 PRO PRO c . n +U 3 93 PHE 93 111 111 PHE PHE c . n +U 3 94 PHE 94 112 112 PHE PHE c . n +U 3 95 VAL 95 113 113 VAL VAL c . n +U 3 96 VAL 96 114 114 VAL VAL c . n +U 3 97 GLY 97 115 115 GLY GLY c . n +U 3 98 VAL 98 116 116 VAL VAL c . n +U 3 99 VAL 99 117 117 VAL VAL c . n +U 3 100 HIS 100 118 118 HIS HIS c . n +U 3 101 LEU 101 119 119 LEU LEU c . n +U 3 102 ILE 102 120 120 ILE ILE c . n +U 3 103 SER 103 121 121 SER SER c . n +U 3 104 SER 104 122 122 SER SER c . n +U 3 105 ALA 105 123 123 ALA ALA c . n +U 3 106 VAL 106 124 124 VAL VAL c . n +U 3 107 LEU 107 125 125 LEU LEU c . n +U 3 108 GLY 108 126 126 GLY GLY c . n +U 3 109 PHE 109 127 127 PHE PHE c . n +U 3 110 GLY 110 128 128 GLY GLY c . n +U 3 111 GLY 111 129 129 GLY GLY c . n +U 3 112 VAL 112 130 130 VAL VAL c . n +U 3 113 TYR 113 131 131 TYR TYR c . n +U 3 114 HIS 114 132 132 HIS HIS c . n +U 3 115 ALA 115 133 133 ALA ALA c . n +U 3 116 ILE 116 134 134 ILE ILE c . n +U 3 117 ARG 117 135 135 ARG ARG c . n +U 3 118 GLY 118 136 136 GLY GLY c . n +U 3 119 PRO 119 137 137 PRO PRO c . n +U 3 120 GLU 120 138 138 GLU GLU c . n +U 3 121 THR 121 139 139 THR THR c . n +U 3 122 LEU 122 140 140 LEU LEU c . n +U 3 123 GLU 123 141 141 GLU GLU c . n +U 3 124 GLU 124 142 142 GLU GLU c . n +U 3 125 TYR 125 143 143 TYR TYR c . n +U 3 126 SER 126 144 144 SER SER c . n +U 3 127 SER 127 145 145 SER SER c . n +U 3 128 PHE 128 146 146 PHE PHE c . n +U 3 129 PHE 129 147 147 PHE PHE c . n +U 3 130 GLY 130 148 148 GLY GLY c . n +U 3 131 TYR 131 149 149 TYR TYR c . n +U 3 132 ASP 132 150 150 ASP ASP c . n +U 3 133 TRP 133 151 151 TRP TRP c . n +U 3 134 LYS 134 152 152 LYS LYS c . n +U 3 135 ASP 135 153 153 ASP ASP c . n +U 3 136 LYS 136 154 154 LYS LYS c . n +U 3 137 ASN 137 155 155 ASN ASN c . n +U 3 138 LYS 138 156 156 LYS LYS c . n +U 3 139 MET 139 157 157 MET MET c . n +U 3 140 THR 140 158 158 THR THR c . n +U 3 141 THR 141 159 159 THR THR c . n +U 3 142 ILE 142 160 160 ILE ILE c . n +U 3 143 LEU 143 161 161 LEU LEU c . n +U 3 144 GLY 144 162 162 GLY GLY c . n +U 3 145 PHE 145 163 163 PHE PHE c . n +U 3 146 HIS 146 164 164 HIS HIS c . n +U 3 147 LEU 147 165 165 LEU LEU c . n +U 3 148 ILE 148 166 166 ILE ILE c . n +U 3 149 VAL 149 167 167 VAL VAL c . n +U 3 150 LEU 150 168 168 LEU LEU c . n +U 3 151 GLY 151 169 169 GLY GLY c . n +U 3 152 ILE 152 170 170 ILE ILE c . n +U 3 153 GLY 153 171 171 GLY GLY c . n +U 3 154 ALA 154 172 172 ALA ALA c . n +U 3 155 LEU 155 173 173 LEU LEU c . n +U 3 156 LEU 156 174 174 LEU LEU c . n +U 3 157 LEU 157 175 175 LEU LEU c . n +U 3 158 VAL 158 176 176 VAL VAL c . n +U 3 159 ALA 159 177 177 ALA ALA c . n +U 3 160 LYS 160 178 178 LYS LYS c . n +U 3 161 ALA 161 179 179 ALA ALA c . n +U 3 162 MET 162 180 180 MET MET c . n +U 3 163 PHE 163 181 181 PHE PHE c . n +U 3 164 PHE 164 182 182 PHE PHE c . n +U 3 165 GLY 165 183 183 GLY GLY c . n +U 3 166 GLY 166 184 184 GLY GLY c . n +U 3 167 LEU 167 185 185 LEU LEU c . n +U 3 168 TYR 168 186 186 TYR TYR c . n +U 3 169 ASP 169 187 187 ASP ASP c . n +U 3 170 THR 170 188 188 THR THR c . n +U 3 171 TRP 171 189 189 TRP TRP c . n +U 3 172 ALA 172 190 190 ALA ALA c . n +U 3 173 PRO 173 191 191 PRO PRO c . n +U 3 174 GLY 174 192 192 GLY GLY c . n +U 3 175 GLY 175 193 193 GLY GLY c . n +U 3 176 GLY 176 194 194 GLY GLY c . n +U 3 177 ASP 177 195 195 ASP ASP c . n +U 3 178 VAL 178 196 196 VAL VAL c . n +U 3 179 ARG 179 197 197 ARG ARG c . n +U 3 180 VAL 180 198 198 VAL VAL c . n +U 3 181 ILE 181 199 199 ILE ILE c . n +U 3 182 THR 182 200 200 THR THR c . n +U 3 183 ASN 183 201 201 ASN ASN c . n +U 3 184 PRO 184 202 202 PRO PRO c . n +U 3 185 THR 185 203 203 THR THR c . n +U 3 186 LEU 186 204 204 LEU LEU c . n +U 3 187 ASP 187 205 205 ASP ASP c . n +U 3 188 PRO 188 206 206 PRO PRO c . n +U 3 189 ARG 189 207 207 ARG ARG c . n +U 3 190 VAL 190 208 208 VAL VAL c . n +U 3 191 ILE 191 209 209 ILE ILE c . n +U 3 192 PHE 192 210 210 PHE PHE c . n +U 3 193 GLY 193 211 211 GLY GLY c . n +U 3 194 TYR 194 212 212 TYR TYR c . n +U 3 195 LEU 195 213 213 LEU LEU c . n +U 3 196 LEU 196 214 214 LEU LEU c . n +U 3 197 LYS 197 215 215 LYS LYS c . n +U 3 198 SER 198 216 216 SER SER c . n +U 3 199 PRO 199 217 217 PRO PRO c . n +U 3 200 PHE 200 218 218 PHE PHE c . n +U 3 201 GLY 201 219 219 GLY GLY c . n +U 3 202 GLY 202 220 220 GLY GLY c . n +U 3 203 GLU 203 221 221 GLU GLU c . n +U 3 204 GLY 204 222 222 GLY GLY c . n +U 3 205 TRP 205 223 223 TRP TRP c . n +U 3 206 ILE 206 224 224 ILE ILE c . n +U 3 207 VAL 207 225 225 VAL VAL c . n +U 3 208 SER 208 226 226 SER SER c . n +U 3 209 VAL 209 227 227 VAL VAL c . n +U 3 210 ASN 210 228 228 ASN ASN c . n +U 3 211 ASN 211 229 229 ASN ASN c . n +U 3 212 LEU 212 230 230 LEU LEU c . n +U 3 213 GLU 213 231 231 GLU GLU c . n +U 3 214 ASP 214 232 232 ASP ASP c . n +U 3 215 VAL 215 233 233 VAL VAL c . n +U 3 216 VAL 216 234 234 VAL VAL c . n +U 3 217 GLY 217 235 235 GLY GLY c . n +U 3 218 GLY 218 236 236 GLY GLY c . n +U 3 219 HIS 219 237 237 HIS HIS c . n +U 3 220 ILE 220 238 238 ILE ILE c . n +U 3 221 TRP 221 239 239 TRP TRP c . n +U 3 222 ILE 222 240 240 ILE ILE c . n +U 3 223 GLY 223 241 241 GLY GLY c . n +U 3 224 LEU 224 242 242 LEU LEU c . n +U 3 225 ILE 225 243 243 ILE ILE c . n +U 3 226 CYS 226 244 244 CYS CYS c . n +U 3 227 ILE 227 245 245 ILE ILE c . n +U 3 228 ALA 228 246 246 ALA ALA c . n +U 3 229 GLY 229 247 247 GLY GLY c . n +U 3 230 GLY 230 248 248 GLY GLY c . n +U 3 231 ILE 231 249 249 ILE ILE c . n +U 3 232 TRP 232 250 250 TRP TRP c . n +U 3 233 HIS 233 251 251 HIS HIS c . n +U 3 234 ILE 234 252 252 ILE ILE c . n +U 3 235 LEU 235 253 253 LEU LEU c . n +U 3 236 THR 236 254 254 THR THR c . n +U 3 237 THR 237 255 255 THR THR c . n +U 3 238 PRO 238 256 256 PRO PRO c . n +U 3 239 PHE 239 257 257 PHE PHE c . n +U 3 240 GLY 240 258 258 GLY GLY c . n +U 3 241 TRP 241 259 259 TRP TRP c . n +U 3 242 ALA 242 260 260 ALA ALA c . n +U 3 243 ARG 243 261 261 ARG ARG c . n +U 3 244 ARG 244 262 262 ARG ARG c . n +U 3 245 ALA 245 263 263 ALA ALA c . n +U 3 246 PHE 246 264 264 PHE PHE c . n +U 3 247 ILE 247 265 265 ILE ILE c . n +U 3 248 TRP 248 266 266 TRP TRP c . n +U 3 249 SER 249 267 267 SER SER c . n +U 3 250 GLY 250 268 268 GLY GLY c . n +U 3 251 GLU 251 269 269 GLU GLU c . n +U 3 252 ALA 252 270 270 ALA ALA c . n +U 3 253 TYR 253 271 271 TYR TYR c . n +U 3 254 LEU 254 272 272 LEU LEU c . n +U 3 255 SER 255 273 273 SER SER c . n +U 3 256 TYR 256 274 274 TYR TYR c . n +U 3 257 SER 257 275 275 SER SER c . n +U 3 258 LEU 258 276 276 LEU LEU c . n +U 3 259 GLY 259 277 277 GLY GLY c . n +U 3 260 ALA 260 278 278 ALA ALA c . n +U 3 261 LEU 261 279 279 LEU LEU c . n +U 3 262 SER 262 280 280 SER SER c . n +U 3 263 MET 263 281 281 MET MET c . n +U 3 264 MET 264 282 282 MET MET c . n +U 3 265 GLY 265 283 283 GLY GLY c . n +U 3 266 PHE 266 284 284 PHE PHE c . n +U 3 267 ILE 267 285 285 ILE ILE c . n +U 3 268 ALA 268 286 286 ALA ALA c . n +U 3 269 THR 269 287 287 THR THR c . n +U 3 270 CYS 270 288 288 CYS CYS c . n +U 3 271 PHE 271 289 289 PHE PHE c . n +U 3 272 VAL 272 290 290 VAL VAL c . n +U 3 273 TRP 273 291 291 TRP TRP c . n +U 3 274 PHE 274 292 292 PHE PHE c . n +U 3 275 ASN 275 293 293 ASN ASN c . n +U 3 276 ASN 276 294 294 ASN ASN c . n +U 3 277 THR 277 295 295 THR THR c . n +U 3 278 VAL 278 296 296 VAL VAL c . n +U 3 279 TYR 279 297 297 TYR TYR c . n +U 3 280 PRO 280 298 298 PRO PRO c . n +U 3 281 SER 281 299 299 SER SER c . n +U 3 282 GLU 282 300 300 GLU GLU c . n +U 3 283 PHE 283 301 301 PHE PHE c . n +U 3 284 TYR 284 302 302 TYR TYR c . n +U 3 285 GLY 285 303 303 GLY GLY c . n +U 3 286 PRO 286 304 304 PRO PRO c . n +U 3 287 THR 287 305 305 THR THR c . n +U 3 288 GLY 288 306 306 GLY GLY c . n +U 3 289 PRO 289 307 307 PRO PRO c . n +U 3 290 GLU 290 308 308 GLU GLU c . n +U 3 291 ALA 291 309 309 ALA ALA c . n +U 3 292 SER 292 310 310 SER SER c . n +U 3 293 GLN 293 311 311 GLN GLN c . n +U 3 294 ALA 294 312 312 ALA ALA c . n +U 3 295 GLN 295 313 313 GLN GLN c . n +U 3 296 ALA 296 314 314 ALA ALA c . n +U 3 297 MET 297 315 315 MET MET c . n +U 3 298 THR 298 316 316 THR THR c . n +U 3 299 PHE 299 317 317 PHE PHE c . n +U 3 300 LEU 300 318 318 LEU LEU c . n +U 3 301 ILE 301 319 319 ILE ILE c . n +U 3 302 ARG 302 320 320 ARG ARG c . n +U 3 303 ASP 303 321 321 ASP ASP c . n +U 3 304 GLN 304 322 322 GLN GLN c . n +U 3 305 LYS 305 323 323 LYS LYS c . n +U 3 306 LEU 306 324 324 LEU LEU c . n +U 3 307 GLY 307 325 325 GLY GLY c . n +U 3 308 ALA 308 326 326 ALA ALA c . n +U 3 309 ASN 309 327 327 ASN ASN c . n +U 3 310 VAL 310 328 328 VAL VAL c . n +U 3 311 GLY 311 329 329 GLY GLY c . n +U 3 312 SER 312 330 330 SER SER c . n +U 3 313 ALA 313 331 331 ALA ALA c . n +U 3 314 GLN 314 332 332 GLN GLN c . n +U 3 315 GLY 315 333 333 GLY GLY c . n +U 3 316 PRO 316 334 334 PRO PRO c . n +U 3 317 THR 317 335 335 THR THR c . n +U 3 318 GLY 318 336 336 GLY GLY c . n +U 3 319 LEU 319 337 337 LEU LEU c . n +U 3 320 GLY 320 338 338 GLY GLY c . n +U 3 321 LYS 321 339 339 LYS LYS c . n +U 3 322 TYR 322 340 340 TYR TYR c . n +U 3 323 LEU 323 341 341 LEU LEU c . n +U 3 324 MET 324 342 342 MET MET c . n +U 3 325 ARG 325 343 343 ARG ARG c . n +U 3 326 SER 326 344 344 SER SER c . n +U 3 327 PRO 327 345 345 PRO PRO c . n +U 3 328 THR 328 346 346 THR THR c . n +U 3 329 GLY 329 347 347 GLY GLY c . n +U 3 330 GLU 330 348 348 GLU GLU c . n +U 3 331 ILE 331 349 349 ILE ILE c . n +U 3 332 ILE 332 350 350 ILE ILE c . n +U 3 333 PHE 333 351 351 PHE PHE c . n +U 3 334 GLY 334 352 352 GLY GLY c . n +U 3 335 GLY 335 353 353 GLY GLY c . n +U 3 336 GLU 336 354 354 GLU GLU c . n +U 3 337 THR 337 355 355 THR THR c . n +U 3 338 MET 338 356 356 MET MET c . n +U 3 339 ARG 339 357 357 ARG ARG c . n +U 3 340 PHE 340 358 358 PHE PHE c . n +U 3 341 TRP 341 359 359 TRP TRP c . n +U 3 342 ASP 342 360 360 ASP ASP c . n +U 3 343 PHE 343 361 361 PHE PHE c . n +U 3 344 ARG 344 362 362 ARG ARG c . n +U 3 345 GLY 345 363 363 GLY GLY c . n +U 3 346 PRO 346 364 364 PRO PRO c . n +U 3 347 TRP 347 365 365 TRP TRP c . n +U 3 348 LEU 348 366 366 LEU LEU c . n +U 3 349 GLU 349 367 367 GLU GLU c . n +U 3 350 PRO 350 368 368 PRO PRO c . n +U 3 351 LEU 351 369 369 LEU LEU c . n +U 3 352 ARG 352 370 370 ARG ARG c . n +U 3 353 GLY 353 371 371 GLY GLY c . n +U 3 354 PRO 354 372 372 PRO PRO c . n +U 3 355 ASN 355 373 373 ASN ASN c . n +U 3 356 GLY 356 374 374 GLY GLY c . n +U 3 357 LEU 357 375 375 LEU LEU c . n +U 3 358 ASP 358 376 376 ASP ASP c . n +U 3 359 LEU 359 377 377 LEU LEU c . n +U 3 360 ASN 360 378 378 ASN ASN c . n +U 3 361 LYS 361 379 379 LYS LYS c . n +U 3 362 ILE 362 380 380 ILE ILE c . n +U 3 363 LYS 363 381 381 LYS LYS c . n +U 3 364 ASN 364 382 382 ASN ASN c . n +U 3 365 ASP 365 383 383 ASP ASP c . n +U 3 366 ILE 366 384 384 ILE ILE c . n +U 3 367 GLN 367 385 385 GLN GLN c . n +U 3 368 PRO 368 386 386 PRO PRO c . n +U 3 369 TRP 369 387 387 TRP TRP c . n +U 3 370 GLN 370 388 388 GLN GLN c . n +U 3 371 GLU 371 389 389 GLU GLU c . n +U 3 372 ARG 372 390 390 ARG ARG c . n +U 3 373 ARG 373 391 391 ARG ARG c . n +U 3 374 ALA 374 392 392 ALA ALA c . n +U 3 375 ALA 375 393 393 ALA ALA c . n +U 3 376 GLU 376 394 394 GLU GLU c . n +U 3 377 TYR 377 395 395 TYR TYR c . n +U 3 378 MET 378 396 396 MET MET c . n +U 3 379 THR 379 397 397 THR THR c . n +U 3 380 HIS 380 398 398 HIS HIS c . n +U 3 381 ALA 381 399 399 ALA ALA c . n +U 3 382 PRO 382 400 400 PRO PRO c . n +U 3 383 LEU 383 401 401 LEU LEU c . n +U 3 384 GLY 384 402 402 GLY GLY c . n +U 3 385 SER 385 403 403 SER SER c . n +U 3 386 LEU 386 404 404 LEU LEU c . n +U 3 387 ASN 387 405 405 ASN ASN c . n +U 3 388 SER 388 406 406 SER SER c . n +U 3 389 VAL 389 407 407 VAL VAL c . n +U 3 390 GLY 390 408 408 GLY GLY c . n +U 3 391 GLY 391 409 409 GLY GLY c . n +U 3 392 VAL 392 410 410 VAL VAL c . n +U 3 393 ALA 393 411 411 ALA ALA c . n +U 3 394 THR 394 412 412 THR THR c . n +U 3 395 GLU 395 413 413 GLU GLU c . n +U 3 396 ILE 396 414 414 ILE ILE c . n +U 3 397 ASN 397 415 415 ASN ASN c . n +U 3 398 SER 398 416 416 SER SER c . n +U 3 399 VAL 399 417 417 VAL VAL c . n +U 3 400 ASN 400 418 418 ASN ASN c . n +U 3 401 PHE 401 419 419 PHE PHE c . n +U 3 402 VAL 402 420 420 VAL VAL c . n +U 3 403 SER 403 421 421 SER SER c . n +U 3 404 PRO 404 422 422 PRO PRO c . n +U 3 405 ARG 405 423 423 ARG ARG c . n +U 3 406 SER 406 424 424 SER SER c . n +U 3 407 TRP 407 425 425 TRP TRP c . n +U 3 408 LEU 408 426 426 LEU LEU c . n +U 3 409 ALA 409 427 427 ALA ALA c . n +U 3 410 THR 410 428 428 THR THR c . n +U 3 411 SER 411 429 429 SER SER c . n +U 3 412 HIS 412 430 430 HIS HIS c . n +U 3 413 PHE 413 431 431 PHE PHE c . n +U 3 414 VAL 414 432 432 VAL VAL c . n +U 3 415 LEU 415 433 433 LEU LEU c . n +U 3 416 ALA 416 434 434 ALA ALA c . n +U 3 417 PHE 417 435 435 PHE PHE c . n +U 3 418 PHE 418 436 436 PHE PHE c . n +U 3 419 PHE 419 437 437 PHE PHE c . n +U 3 420 LEU 420 438 438 LEU LEU c . n +U 3 421 VAL 421 439 439 VAL VAL c . n +U 3 422 GLY 422 440 440 GLY GLY c . n +U 3 423 HIS 423 441 441 HIS HIS c . n +U 3 424 LEU 424 442 442 LEU LEU c . n +U 3 425 TRP 425 443 443 TRP TRP c . n +U 3 426 HIS 426 444 444 HIS HIS c . n +U 3 427 ALA 427 445 445 ALA ALA c . n +U 3 428 GLY 428 446 446 GLY GLY c . n +U 3 429 ARG 429 447 447 ARG ARG c . n +U 3 430 ALA 430 448 448 ALA ALA c . n +U 3 431 ARG 431 449 449 ARG ARG c . n +U 3 432 ALA 432 450 450 ALA ALA c . n +U 3 433 ALA 433 451 451 ALA ALA c . n +U 3 434 ALA 434 452 452 ALA ALA c . n +U 3 435 ALA 435 453 453 ALA ALA c . n +U 3 436 GLY 436 454 454 GLY GLY c . n +U 3 437 PHE 437 455 455 PHE PHE c . n +U 3 438 GLU 438 456 456 GLU GLU c . n +U 3 439 LYS 439 457 457 LYS LYS c . n +U 3 440 GLY 440 458 458 GLY GLY c . n +U 3 441 ILE 441 459 459 ILE ILE c . n +U 3 442 ASP 442 460 460 ASP ASP c . n +U 3 443 ARG 443 461 461 ARG ARG c . n +U 3 444 GLU 444 462 462 GLU GLU c . n +U 3 445 SER 445 463 463 SER SER c . n +U 3 446 GLU 446 464 464 GLU GLU c . n +U 3 447 PRO 447 465 465 PRO PRO c . n +U 3 448 VAL 448 466 466 VAL VAL c . n +U 3 449 LEU 449 467 467 LEU LEU c . n +U 3 450 SER 450 468 468 SER SER c . n +U 3 451 MET 451 469 469 MET MET c . n +U 3 452 PRO 452 470 470 PRO PRO c . n +U 3 453 SER 453 471 471 SER SER c . n +U 3 454 LEU 454 472 472 LEU LEU c . n +U 3 455 ASP 455 473 473 ASP ASP c . n +V 4 1 GLU 1 11 ? ? ? d . n +V 4 2 ARG 2 12 12 ARG ARG d . n +V 4 3 GLY 3 13 13 GLY GLY d . n +V 4 4 TRP 4 14 14 TRP TRP d . n +V 4 5 PHE 5 15 15 PHE PHE d . n +V 4 6 ASP 6 16 16 ASP ASP d . n +V 4 7 ILE 7 17 17 ILE ILE d . n +V 4 8 LEU 8 18 18 LEU LEU d . n +V 4 9 ASP 9 19 19 ASP ASP d . n +V 4 10 ASP 10 20 20 ASP ASP d . n +V 4 11 TRP 11 21 21 TRP TRP d . n +V 4 12 LEU 12 22 22 LEU LEU d . n +V 4 13 LYS 13 23 23 LYS LYS d . n +V 4 14 ARG 14 24 24 ARG ARG d . n +V 4 15 ASP 15 25 25 ASP ASP d . n +V 4 16 ARG 16 26 26 ARG ARG d . n +V 4 17 PHE 17 27 27 PHE PHE d . n +V 4 18 VAL 18 28 28 VAL VAL d . n +V 4 19 PHE 19 29 29 PHE PHE d . n +V 4 20 VAL 20 30 30 VAL VAL d . n +V 4 21 GLY 21 31 31 GLY GLY d . n +V 4 22 TRP 22 32 32 TRP TRP d . n +V 4 23 SER 23 33 33 SER SER d . n +V 4 24 GLY 24 34 34 GLY GLY d . n +V 4 25 ILE 25 35 35 ILE ILE d . n +V 4 26 LEU 26 36 36 LEU LEU d . n +V 4 27 LEU 27 37 37 LEU LEU d . n +V 4 28 PHE 28 38 38 PHE PHE d . n +V 4 29 PRO 29 39 39 PRO PRO d . n +V 4 30 CYS 30 40 40 CYS CYS d . n +V 4 31 ALA 31 41 41 ALA ALA d . n +V 4 32 TYR 32 42 42 TYR TYR d . n +V 4 33 LEU 33 43 43 LEU LEU d . n +V 4 34 ALA 34 44 44 ALA ALA d . n +V 4 35 LEU 35 45 45 LEU LEU d . n +V 4 36 GLY 36 46 46 GLY GLY d . n +V 4 37 GLY 37 47 47 GLY GLY d . n +V 4 38 TRP 38 48 48 TRP TRP d . n +V 4 39 LEU 39 49 49 LEU LEU d . n +V 4 40 THR 40 50 50 THR THR d . n +V 4 41 GLY 41 51 51 GLY GLY d . n +V 4 42 THR 42 52 52 THR THR d . n +V 4 43 THR 43 53 53 THR THR d . n +V 4 44 PHE 44 54 54 PHE PHE d . n +V 4 45 VAL 45 55 55 VAL VAL d . n +V 4 46 THR 46 56 56 THR THR d . n +V 4 47 SER 47 57 57 SER SER d . n +V 4 48 TRP 48 58 58 TRP TRP d . n +V 4 49 TYR 49 59 59 TYR TYR d . n +V 4 50 THR 50 60 60 THR THR d . n +V 4 51 HIS 51 61 61 HIS HIS d . n +V 4 52 GLY 52 62 62 GLY GLY d . n +V 4 53 LEU 53 63 63 LEU LEU d . n +V 4 54 ALA 54 64 64 ALA ALA d . n +V 4 55 SER 55 65 65 SER SER d . n +V 4 56 SER 56 66 66 SER SER d . n +V 4 57 TYR 57 67 67 TYR TYR d . n +V 4 58 LEU 58 68 68 LEU LEU d . n +V 4 59 GLU 59 69 69 GLU GLU d . n +V 4 60 GLY 60 70 70 GLY GLY d . n +V 4 61 CYS 61 71 71 CYS CYS d . n +V 4 62 ASN 62 72 72 ASN ASN d . n +V 4 63 PHE 63 73 73 PHE PHE d . n +V 4 64 LEU 64 74 74 LEU LEU d . n +V 4 65 THR 65 75 75 THR THR d . n +V 4 66 VAL 66 76 76 VAL VAL d . n +V 4 67 ALA 67 77 77 ALA ALA d . n +V 4 68 VAL 68 78 78 VAL VAL d . n +V 4 69 SER 69 79 79 SER SER d . n +V 4 70 THR 70 80 80 THR THR d . n +V 4 71 PRO 71 81 81 PRO PRO d . n +V 4 72 ALA 72 82 82 ALA ALA d . n +V 4 73 ASN 73 83 83 ASN ASN d . n +V 4 74 SER 74 84 84 SER SER d . n +V 4 75 MET 75 85 85 MET MET d . n +V 4 76 GLY 76 86 86 GLY GLY d . n +V 4 77 HIS 77 87 87 HIS HIS d . n +V 4 78 SER 78 88 88 SER SER d . n +V 4 79 LEU 79 89 89 LEU LEU d . n +V 4 80 LEU 80 90 90 LEU LEU d . n +V 4 81 LEU 81 91 91 LEU LEU d . n +V 4 82 LEU 82 92 92 LEU LEU d . n +V 4 83 TRP 83 93 93 TRP TRP d . n +V 4 84 GLY 84 94 94 GLY GLY d . n +V 4 85 PRO 85 95 95 PRO PRO d . n +V 4 86 GLU 86 96 96 GLU GLU d . n +V 4 87 ALA 87 97 97 ALA ALA d . n +V 4 88 GLN 88 98 98 GLN GLN d . n +V 4 89 GLY 89 99 99 GLY GLY d . n +V 4 90 ASP 90 100 100 ASP ASP d . n +V 4 91 PHE 91 101 101 PHE PHE d . n +V 4 92 THR 92 102 102 THR THR d . n +V 4 93 ARG 93 103 103 ARG ARG d . n +V 4 94 TRP 94 104 104 TRP TRP d . n +V 4 95 CYS 95 105 105 CYS CYS d . n +V 4 96 GLN 96 106 106 GLN GLN d . n +V 4 97 LEU 97 107 107 LEU LEU d . n +V 4 98 GLY 98 108 108 GLY GLY d . n +V 4 99 GLY 99 109 109 GLY GLY d . n +V 4 100 LEU 100 110 110 LEU LEU d . n +V 4 101 TRP 101 111 111 TRP TRP d . n +V 4 102 THR 102 112 112 THR THR d . n +V 4 103 PHE 103 113 113 PHE PHE d . n +V 4 104 ILE 104 114 114 ILE ILE d . n +V 4 105 ALA 105 115 115 ALA ALA d . n +V 4 106 LEU 106 116 116 LEU LEU d . n +V 4 107 HIS 107 117 117 HIS HIS d . n +V 4 108 GLY 108 118 118 GLY GLY d . n +V 4 109 ALA 109 119 119 ALA ALA d . n +V 4 110 PHE 110 120 120 PHE PHE d . n +V 4 111 GLY 111 121 121 GLY GLY d . n +V 4 112 LEU 112 122 122 LEU LEU d . n +V 4 113 ILE 113 123 123 ILE ILE d . n +V 4 114 GLY 114 124 124 GLY GLY d . n +V 4 115 PHE 115 125 125 PHE PHE d . n +V 4 116 MET 116 126 126 MET MET d . n +V 4 117 LEU 117 127 127 LEU LEU d . n +V 4 118 ARG 118 128 128 ARG ARG d . n +V 4 119 GLN 119 129 129 GLN GLN d . n +V 4 120 PHE 120 130 130 PHE PHE d . n +V 4 121 GLU 121 131 131 GLU GLU d . n +V 4 122 ILE 122 132 132 ILE ILE d . n +V 4 123 ALA 123 133 133 ALA ALA d . n +V 4 124 ARG 124 134 134 ARG ARG d . n +V 4 125 LEU 125 135 135 LEU LEU d . n +V 4 126 VAL 126 136 136 VAL VAL d . n +V 4 127 GLY 127 137 137 GLY GLY d . n +V 4 128 VAL 128 138 138 VAL VAL d . n +V 4 129 ARG 129 139 139 ARG ARG d . n +V 4 130 PRO 130 140 140 PRO PRO d . n +V 4 131 TYR 131 141 141 TYR TYR d . n +V 4 132 ASN 132 142 142 ASN ASN d . n +V 4 133 ALA 133 143 143 ALA ALA d . n +V 4 134 ILE 134 144 144 ILE ILE d . n +V 4 135 ALA 135 145 145 ALA ALA d . n +V 4 136 PHE 136 146 146 PHE PHE d . n +V 4 137 SER 137 147 147 SER SER d . n +V 4 138 ALA 138 148 148 ALA ALA d . n +V 4 139 PRO 139 149 149 PRO PRO d . n +V 4 140 ILE 140 150 150 ILE ILE d . n +V 4 141 ALA 141 151 151 ALA ALA d . n +V 4 142 VAL 142 152 152 VAL VAL d . n +V 4 143 PHE 143 153 153 PHE PHE d . n +V 4 144 VAL 144 154 154 VAL VAL d . n +V 4 145 SER 145 155 155 SER SER d . n +V 4 146 VAL 146 156 156 VAL VAL d . n +V 4 147 PHE 147 157 157 PHE PHE d . n +V 4 148 LEU 148 158 158 LEU LEU d . n +V 4 149 ILE 149 159 159 ILE ILE d . n +V 4 150 TYR 150 160 160 TYR TYR d . n +V 4 151 PRO 151 161 161 PRO PRO d . n +V 4 152 LEU 152 162 162 LEU LEU d . n +V 4 153 GLY 153 163 163 GLY GLY d . n +V 4 154 GLN 154 164 164 GLN GLN d . n +V 4 155 SER 155 165 165 SER SER d . n +V 4 156 SER 156 166 166 SER SER d . n +V 4 157 TRP 157 167 167 TRP TRP d . n +V 4 158 PHE 158 168 168 PHE PHE d . n +V 4 159 PHE 159 169 169 PHE PHE d . n +V 4 160 ALA 160 170 170 ALA ALA d . n +V 4 161 PRO 161 171 171 PRO PRO d . n +V 4 162 SER 162 172 172 SER SER d . n +V 4 163 PHE 163 173 173 PHE PHE d . n +V 4 164 GLY 164 174 174 GLY GLY d . n +V 4 165 VAL 165 175 175 VAL VAL d . n +V 4 166 ALA 166 176 176 ALA ALA d . n +V 4 167 ALA 167 177 177 ALA ALA d . n +V 4 168 ILE 168 178 178 ILE ILE d . n +V 4 169 PHE 169 179 179 PHE PHE d . n +V 4 170 ARG 170 180 180 ARG ARG d . n +V 4 171 PHE 171 181 181 PHE PHE d . n +V 4 172 LEU 172 182 182 LEU LEU d . n +V 4 173 LEU 173 183 183 LEU LEU d . n +V 4 174 PHE 174 184 184 PHE PHE d . n +V 4 175 PHE 175 185 185 PHE PHE d . n +V 4 176 GLN 176 186 186 GLN GLN d . n +V 4 177 GLY 177 187 187 GLY GLY d . n +V 4 178 PHE 178 188 188 PHE PHE d . n +V 4 179 HIS 179 189 189 HIS HIS d . n +V 4 180 ASN 180 190 190 ASN ASN d . n +V 4 181 TRP 181 191 191 TRP TRP d . n +V 4 182 THR 182 192 192 THR THR d . n +V 4 183 LEU 183 193 193 LEU LEU d . n +V 4 184 ASN 184 194 194 ASN ASN d . n +V 4 185 PRO 185 195 195 PRO PRO d . n +V 4 186 PHE 186 196 196 PHE PHE d . n +V 4 187 HIS 187 197 197 HIS HIS d . n +V 4 188 MET 188 198 198 MET MET d . n +V 4 189 MET 189 199 199 MET MET d . n +V 4 190 GLY 190 200 200 GLY GLY d . n +V 4 191 VAL 191 201 201 VAL VAL d . n +V 4 192 ALA 192 202 202 ALA ALA d . n +V 4 193 GLY 193 203 203 GLY GLY d . n +V 4 194 VAL 194 204 204 VAL VAL d . n +V 4 195 LEU 195 205 205 LEU LEU d . n +V 4 196 GLY 196 206 206 GLY GLY d . n +V 4 197 GLY 197 207 207 GLY GLY d . n +V 4 198 ALA 198 208 208 ALA ALA d . n +V 4 199 LEU 199 209 209 LEU LEU d . n +V 4 200 LEU 200 210 210 LEU LEU d . n +V 4 201 CYS 201 211 211 CYS CYS d . n +V 4 202 ALA 202 212 212 ALA ALA d . n +V 4 203 ILE 203 213 213 ILE ILE d . n +V 4 204 HIS 204 214 214 HIS HIS d . n +V 4 205 GLY 205 215 215 GLY GLY d . n +V 4 206 ALA 206 216 216 ALA ALA d . n +V 4 207 THR 207 217 217 THR THR d . n +V 4 208 VAL 208 218 218 VAL VAL d . n +V 4 209 GLU 209 219 219 GLU GLU d . n +V 4 210 ASN 210 220 220 ASN ASN d . n +V 4 211 THR 211 221 221 THR THR d . n +V 4 212 LEU 212 222 222 LEU LEU d . n +V 4 213 PHE 213 223 223 PHE PHE d . n +V 4 214 GLN 214 224 224 GLN GLN d . n +V 4 215 ASP 215 225 225 ASP ASP d . n +V 4 216 GLY 216 226 226 GLY GLY d . n +V 4 217 GLU 217 227 227 GLU GLU d . n +V 4 218 GLY 218 228 228 GLY GLY d . n +V 4 219 ALA 219 229 229 ALA ALA d . n +V 4 220 SER 220 230 230 SER SER d . n +V 4 221 THR 221 231 231 THR THR d . n +V 4 222 PHE 222 232 232 PHE PHE d . n +V 4 223 ARG 223 233 233 ARG ARG d . n +V 4 224 ALA 224 234 234 ALA ALA d . n +V 4 225 PHE 225 235 235 PHE PHE d . n +V 4 226 ASN 226 236 236 ASN ASN d . n +V 4 227 PRO 227 237 237 PRO PRO d . n +V 4 228 THR 228 238 238 THR THR d . n +V 4 229 GLN 229 239 239 GLN GLN d . n +V 4 230 ALA 230 240 240 ALA ALA d . n +V 4 231 GLU 231 241 241 GLU GLU d . n +V 4 232 GLU 232 242 242 GLU GLU d . n +V 4 233 THR 233 243 243 THR THR d . n +V 4 234 TYR 234 244 244 TYR TYR d . n +V 4 235 SER 235 245 245 SER SER d . n +V 4 236 MET 236 246 246 MET MET d . n +V 4 237 VAL 237 247 247 VAL VAL d . n +V 4 238 THR 238 248 248 THR THR d . n +V 4 239 ALA 239 249 249 ALA ALA d . n +V 4 240 ASN 240 250 250 ASN ASN d . n +V 4 241 ARG 241 251 251 ARG ARG d . n +V 4 242 PHE 242 252 252 PHE PHE d . n +V 4 243 TRP 243 253 253 TRP TRP d . n +V 4 244 SER 244 254 254 SER SER d . n +V 4 245 GLN 245 255 255 GLN GLN d . n +V 4 246 ILE 246 256 256 ILE ILE d . n +V 4 247 PHE 247 257 257 PHE PHE d . n +V 4 248 GLY 248 258 258 GLY GLY d . n +V 4 249 ILE 249 259 259 ILE ILE d . n +V 4 250 ALA 250 260 260 ALA ALA d . n +V 4 251 PHE 251 261 261 PHE PHE d . n +V 4 252 SER 252 262 262 SER SER d . n +V 4 253 ASN 253 263 263 ASN ASN d . n +V 4 254 LYS 254 264 264 LYS LYS d . n +V 4 255 ARG 255 265 265 ARG ARG d . n +V 4 256 TRP 256 266 266 TRP TRP d . n +V 4 257 LEU 257 267 267 LEU LEU d . n +V 4 258 HIS 258 268 268 HIS HIS d . n +V 4 259 PHE 259 269 269 PHE PHE d . n +V 4 260 PHE 260 270 270 PHE PHE d . n +V 4 261 MET 261 271 271 MET MET d . n +V 4 262 LEU 262 272 272 LEU LEU d . n +V 4 263 PHE 263 273 273 PHE PHE d . n +V 4 264 VAL 264 274 274 VAL VAL d . n +V 4 265 PRO 265 275 275 PRO PRO d . n +V 4 266 VAL 266 276 276 VAL VAL d . n +V 4 267 THR 267 277 277 THR THR d . n +V 4 268 GLY 268 278 278 GLY GLY d . n +V 4 269 LEU 269 279 279 LEU LEU d . n +V 4 270 TRP 270 280 280 TRP TRP d . n +V 4 271 MET 271 281 281 MET MET d . n +V 4 272 SER 272 282 282 SER SER d . n +V 4 273 ALA 273 283 283 ALA ALA d . n +V 4 274 ILE 274 284 284 ILE ILE d . n +V 4 275 GLY 275 285 285 GLY GLY d . n +V 4 276 VAL 276 286 286 VAL VAL d . n +V 4 277 VAL 277 287 287 VAL VAL d . n +V 4 278 GLY 278 288 288 GLY GLY d . n +V 4 279 LEU 279 289 289 LEU LEU d . n +V 4 280 ALA 280 290 290 ALA ALA d . n +V 4 281 LEU 281 291 291 LEU LEU d . n +V 4 282 ASN 282 292 292 ASN ASN d . n +V 4 283 LEU 283 293 293 LEU LEU d . n +V 4 284 ARG 284 294 294 ARG ARG d . n +V 4 285 SER 285 295 295 SER SER d . n +V 4 286 TYR 286 296 296 TYR TYR d . n +V 4 287 ASP 287 297 297 ASP ASP d . n +V 4 288 PHE 288 298 298 PHE PHE d . n +V 4 289 ILE 289 299 299 ILE ILE d . n +V 4 290 SER 290 300 300 SER SER d . n +V 4 291 GLN 291 301 301 GLN GLN d . n +V 4 292 GLU 292 302 302 GLU GLU d . n +V 4 293 ILE 293 303 303 ILE ILE d . n +V 4 294 ARG 294 304 304 ARG ARG d . n +V 4 295 ALA 295 305 305 ALA ALA d . n +V 4 296 ALA 296 306 306 ALA ALA d . n +V 4 297 GLU 297 307 307 GLU GLU d . n +V 4 298 ASP 298 308 308 ASP ASP d . n +V 4 299 PRO 299 309 309 PRO PRO d . n +V 4 300 GLU 300 310 310 GLU GLU d . n +V 4 301 PHE 301 311 311 PHE PHE d . n +V 4 302 GLU 302 312 312 GLU GLU d . n +V 4 303 THR 303 313 313 THR THR d . n +V 4 304 PHE 304 314 314 PHE PHE d . n +V 4 305 TYR 305 315 315 TYR TYR d . n +V 4 306 THR 306 316 316 THR THR d . n +V 4 307 LYS 307 317 317 LYS LYS d . n +V 4 308 ASN 308 318 318 ASN ASN d . n +V 4 309 LEU 309 319 319 LEU LEU d . n +V 4 310 LEU 310 320 320 LEU LEU d . n +V 4 311 LEU 311 321 321 LEU LEU d . n +V 4 312 ASN 312 322 322 ASN ASN d . n +V 4 313 GLU 313 323 323 GLU GLU d . n +V 4 314 GLY 314 324 324 GLY GLY d . n +V 4 315 ILE 315 325 325 ILE ILE d . n +V 4 316 ARG 316 326 326 ARG ARG d . n +V 4 317 ALA 317 327 327 ALA ALA d . n +V 4 318 TRP 318 328 328 TRP TRP d . n +V 4 319 MET 319 329 329 MET MET d . n +V 4 320 ALA 320 330 330 ALA ALA d . n +V 4 321 PRO 321 331 331 PRO PRO d . n +V 4 322 GLN 322 332 332 GLN GLN d . n +V 4 323 ASP 323 333 333 ASP ASP d . n +V 4 324 GLN 324 334 334 GLN GLN d . n +V 4 325 PRO 325 335 335 PRO PRO d . n +V 4 326 HIS 326 336 336 HIS HIS d . n +V 4 327 GLU 327 337 337 GLU GLU d . n +V 4 328 ASN 328 338 338 ASN ASN d . n +V 4 329 PHE 329 339 339 PHE PHE d . n +V 4 330 VAL 330 340 340 VAL VAL d . n +V 4 331 PHE 331 341 341 PHE PHE d . n +V 4 332 PRO 332 342 342 PRO PRO d . n +V 4 333 GLU 333 343 343 GLU GLU d . n +V 4 334 GLU 334 344 344 GLU GLU d . n +V 4 335 VAL 335 345 345 VAL VAL d . n +V 4 336 LEU 336 346 346 LEU LEU d . n +V 4 337 PRO 337 347 347 PRO PRO d . n +V 4 338 ARG 338 348 348 ARG ARG d . n +V 4 339 GLY 339 349 349 GLY GLY d . n +V 4 340 ASN 340 350 350 ASN ASN d . n +V 4 341 ALA 341 351 351 ALA ALA d . n +V 4 342 LEU 342 352 352 LEU LEU d . n +W 5 1 MET 1 1 ? ? ? e . n +W 5 2 ALA 2 2 ? ? ? e . n +W 5 3 GLY 3 3 ? ? ? e . n +W 5 4 THR 4 4 ? ? ? e . n +W 5 5 THR 5 5 ? ? ? e . n +W 5 6 GLY 6 6 6 GLY GLY e . n +W 5 7 GLU 7 7 7 GLU GLU e . n +W 5 8 ARG 8 8 8 ARG ARG e . n +W 5 9 PRO 9 9 9 PRO PRO e . n +W 5 10 PHE 10 10 10 PHE PHE e . n +W 5 11 SER 11 11 11 SER SER e . n +W 5 12 ASP 12 12 12 ASP ASP e . n +W 5 13 ILE 13 13 13 ILE ILE e . n +W 5 14 ILE 14 14 14 ILE ILE e . n +W 5 15 THR 15 15 15 THR THR e . n +W 5 16 SER 16 16 16 SER SER e . n +W 5 17 VAL 17 17 17 VAL VAL e . n +W 5 18 ARG 18 18 18 ARG ARG e . n +W 5 19 TYR 19 19 19 TYR TYR e . n +W 5 20 TRP 20 20 20 TRP TRP e . n +W 5 21 VAL 21 21 21 VAL VAL e . n +W 5 22 ILE 22 22 22 ILE ILE e . n +W 5 23 HIS 23 23 23 HIS HIS e . n +W 5 24 SER 24 24 24 SER SER e . n +W 5 25 ILE 25 25 25 ILE ILE e . n +W 5 26 THR 26 26 26 THR THR e . n +W 5 27 ILE 27 27 27 ILE ILE e . n +W 5 28 PRO 28 28 28 PRO PRO e . n +W 5 29 ALA 29 29 29 ALA ALA e . n +W 5 30 LEU 30 30 30 LEU LEU e . n +W 5 31 PHE 31 31 31 PHE PHE e . n +W 5 32 ILE 32 32 32 ILE ILE e . n +W 5 33 ALA 33 33 33 ALA ALA e . n +W 5 34 GLY 34 34 34 GLY GLY e . n +W 5 35 TRP 35 35 35 TRP TRP e . n +W 5 36 LEU 36 36 36 LEU LEU e . n +W 5 37 PHE 37 37 37 PHE PHE e . n +W 5 38 VAL 38 38 38 VAL VAL e . n +W 5 39 SER 39 39 39 SER SER e . n +W 5 40 THR 40 40 40 THR THR e . n +W 5 41 GLY 41 41 41 GLY GLY e . n +W 5 42 LEU 42 42 42 LEU LEU e . n +W 5 43 ALA 43 43 43 ALA ALA e . n +W 5 44 TYR 44 44 44 TYR TYR e . n +W 5 45 ASP 45 45 45 ASP ASP e . n +W 5 46 VAL 46 46 46 VAL VAL e . n +W 5 47 PHE 47 47 47 PHE PHE e . n +W 5 48 GLY 48 48 48 GLY GLY e . n +W 5 49 THR 49 49 49 THR THR e . n +W 5 50 PRO 50 50 50 PRO PRO e . n +W 5 51 ARG 51 51 51 ARG ARG e . n +W 5 52 PRO 52 52 52 PRO PRO e . n +W 5 53 ASP 53 53 53 ASP ASP e . n +W 5 54 SER 54 54 54 SER SER e . n +W 5 55 TYR 55 55 55 TYR TYR e . n +W 5 56 TYR 56 56 56 TYR TYR e . n +W 5 57 ALA 57 57 57 ALA ALA e . n +W 5 58 GLN 58 58 58 GLN GLN e . n +W 5 59 GLU 59 59 59 GLU GLU e . n +W 5 60 GLN 60 60 60 GLN GLN e . n +W 5 61 ARG 61 61 61 ARG ARG e . n +W 5 62 SER 62 62 62 SER SER e . n +W 5 63 ILE 63 63 63 ILE ILE e . n +W 5 64 PRO 64 64 64 PRO PRO e . n +W 5 65 LEU 65 65 65 LEU LEU e . n +W 5 66 VAL 66 66 66 VAL VAL e . n +W 5 67 THR 67 67 67 THR THR e . n +W 5 68 ASP 68 68 68 ASP ASP e . n +W 5 69 ARG 69 69 69 ARG ARG e . n +W 5 70 PHE 70 70 70 PHE PHE e . n +W 5 71 GLU 71 71 71 GLU GLU e . n +W 5 72 ALA 72 72 72 ALA ALA e . n +W 5 73 LYS 73 73 73 LYS LYS e . n +W 5 74 GLN 74 74 74 GLN GLN e . n +W 5 75 GLN 75 75 75 GLN GLN e . n +W 5 76 VAL 76 76 76 VAL VAL e . n +W 5 77 GLU 77 77 77 GLU GLU e . n +W 5 78 THR 78 78 78 THR THR e . n +W 5 79 PHE 79 79 79 PHE PHE e . n +W 5 80 LEU 80 80 80 LEU LEU e . n +W 5 81 GLU 81 81 81 GLU GLU e . n +W 5 82 GLN 82 82 82 GLN GLN e . n +W 5 83 LEU 83 83 83 LEU LEU e . n +W 5 84 LYS 84 84 84 LYS LYS e . n +X 6 1 THR 1 2 ? ? ? f . n +X 6 2 SER 2 3 ? ? ? f . n +X 6 3 ASN 3 4 ? ? ? f . n +X 6 4 THR 4 5 ? ? ? f . n +X 6 5 PRO 5 6 ? ? ? f . n +X 6 6 ASN 6 7 ? ? ? f . n +X 6 7 GLN 7 8 ? ? ? f . n +X 6 8 GLU 8 9 ? ? ? f . n +X 6 9 PRO 9 10 ? ? ? f . n +X 6 10 VAL 10 11 ? ? ? f . n +X 6 11 SER 11 12 ? ? ? f . n +X 6 12 TYR 12 13 ? ? ? f . n +X 6 13 PRO 13 14 ? ? ? f . n +X 6 14 ILE 14 15 15 ILE ILE f . n +X 6 15 PHE 15 16 16 PHE PHE f . n +X 6 16 THR 16 17 17 THR THR f . n +X 6 17 VAL 17 18 18 VAL VAL f . n +X 6 18 ARG 18 19 19 ARG ARG f . n +X 6 19 TRP 19 20 20 TRP TRP f . n +X 6 20 VAL 20 21 21 VAL VAL f . n +X 6 21 ALA 21 22 22 ALA ALA f . n +X 6 22 VAL 22 23 23 VAL VAL f . n +X 6 23 HIS 23 24 24 HIS HIS f . n +X 6 24 THR 24 25 25 THR THR f . n +X 6 25 LEU 25 26 26 LEU LEU f . n +X 6 26 ALA 26 27 27 ALA ALA f . n +X 6 27 VAL 27 28 28 VAL VAL f . n +X 6 28 PRO 28 29 29 PRO PRO f . n +X 6 29 THR 29 30 30 THR THR f . n +X 6 30 ILE 30 31 31 ILE ILE f . n +X 6 31 PHE 31 32 32 PHE PHE f . n +X 6 32 PHE 32 33 33 PHE PHE f . n +X 6 33 LEU 33 34 34 LEU LEU f . n +X 6 34 GLY 34 35 35 GLY GLY f . n +X 6 35 ALA 35 36 36 ALA ALA f . n +X 6 36 ILE 36 37 37 ILE ILE f . n +X 6 37 ALA 37 38 38 ALA ALA f . n +X 6 38 ALA 38 39 39 ALA ALA f . n +X 6 39 MET 39 40 40 MET MET f . n +X 6 40 GLN 40 41 41 GLN GLN f . n +X 6 41 PHE 41 42 42 PHE PHE f . n +X 6 42 ILE 42 43 43 ILE ILE f . n +X 6 43 GLN 43 44 44 GLN GLN f . n +X 6 44 ARG 44 45 45 ARG ARG f . n +Y 7 1 ALA 1 2 2 ALA ALA h . n +Y 7 2 ARG 2 3 3 ARG ARG h . n +Y 7 3 ARG 3 4 4 ARG ARG h . n +Y 7 4 THR 4 5 5 THR THR h . n +Y 7 5 TRP 5 6 6 TRP TRP h . n +Y 7 6 LEU 6 7 7 LEU LEU h . n +Y 7 7 GLY 7 8 8 GLY GLY h . n +Y 7 8 ASP 8 9 9 ASP ASP h . n +Y 7 9 ILE 9 10 10 ILE ILE h . n +Y 7 10 LEU 10 11 11 LEU LEU h . n +Y 7 11 ARG 11 12 12 ARG ARG h . n +Y 7 12 PRO 12 13 13 PRO PRO h . n +Y 7 13 LEU 13 14 14 LEU LEU h . n +Y 7 14 ASN 14 15 15 ASN ASN h . n +Y 7 15 SER 15 16 16 SER SER h . n +Y 7 16 GLU 16 17 17 GLU GLU h . n +Y 7 17 TYR 17 18 18 TYR TYR h . n +Y 7 18 GLY 18 19 19 GLY GLY h . n +Y 7 19 LYS 19 20 20 LYS LYS h . n +Y 7 20 VAL 20 21 21 VAL VAL h . n +Y 7 21 ALA 21 22 22 ALA ALA h . n +Y 7 22 PRO 22 23 23 PRO PRO h . n +Y 7 23 GLY 23 24 24 GLY GLY h . n +Y 7 24 TRP 24 25 25 TRP TRP h . n +Y 7 25 GLY 25 26 26 GLY GLY h . n +Y 7 26 THR 26 27 27 THR THR h . n +Y 7 27 THR 27 28 28 THR THR h . n +Y 7 28 PRO 28 29 29 PRO PRO h . n +Y 7 29 LEU 29 30 30 LEU LEU h . n +Y 7 30 MET 30 31 31 MET MET h . n +Y 7 31 ALA 31 32 32 ALA ALA h . n +Y 7 32 VAL 32 33 33 VAL VAL h . n +Y 7 33 PHE 33 34 34 PHE PHE h . n +Y 7 34 MET 34 35 35 MET MET h . n +Y 7 35 GLY 35 36 36 GLY GLY h . n +Y 7 36 LEU 36 37 37 LEU LEU h . n +Y 7 37 PHE 37 38 38 PHE PHE h . n +Y 7 38 LEU 38 39 39 LEU LEU h . n +Y 7 39 VAL 39 40 40 VAL VAL h . n +Y 7 40 PHE 40 41 41 PHE PHE h . n +Y 7 41 LEU 41 42 42 LEU LEU h . n +Y 7 42 LEU 42 43 43 LEU LEU h . n +Y 7 43 ILE 43 44 44 ILE ILE h . n +Y 7 44 ILE 44 45 45 ILE ILE h . n +Y 7 45 LEU 45 46 46 LEU LEU h . n +Y 7 46 GLU 46 47 47 GLU GLU h . n +Y 7 47 ILE 47 48 48 ILE ILE h . n +Y 7 48 TYR 48 49 49 TYR TYR h . n +Y 7 49 ASN 49 50 50 ASN ASN h . n +Y 7 50 SER 50 51 51 SER SER h . n +Y 7 51 THR 51 52 52 THR THR h . n +Y 7 52 LEU 52 53 53 LEU LEU h . n +Y 7 53 ILE 53 54 54 ILE ILE h . n +Y 7 54 LEU 54 55 55 LEU LEU h . n +Y 7 55 ASP 55 56 56 ASP ASP h . n +Y 7 56 GLY 56 57 57 GLY GLY h . n +Y 7 57 VAL 57 58 58 VAL VAL h . n +Y 7 58 ASN 58 59 59 ASN ASN h . n +Y 7 59 VAL 59 60 60 VAL VAL h . n +Y 7 60 SER 60 61 61 SER SER h . n +Y 7 61 TRP 61 62 62 TRP TRP h . n +Y 7 62 LYS 62 63 63 LYS LYS h . n +Y 7 63 ALA 63 64 64 ALA ALA h . n +Y 7 64 LEU 64 65 65 LEU LEU h . n +Y 7 65 GLY 65 66 ? ? ? h . n +Z 8 1 FME 1 1 1 FME FME i . n +Z 8 2 GLU 2 2 2 GLU GLU i . n +Z 8 3 THR 3 3 3 THR THR i . n +Z 8 4 LEU 4 4 4 LEU LEU i . n +Z 8 5 LYS 5 5 5 LYS LYS i . n +Z 8 6 ILE 6 6 6 ILE ILE i . n +Z 8 7 THR 7 7 7 THR THR i . n +Z 8 8 VAL 8 8 8 VAL VAL i . n +Z 8 9 TYR 9 9 9 TYR TYR i . n +Z 8 10 ILE 10 10 10 ILE ILE i . n +Z 8 11 VAL 11 11 11 VAL VAL i . n +Z 8 12 VAL 12 12 12 VAL VAL i . n +Z 8 13 THR 13 13 13 THR THR i . n +Z 8 14 PHE 14 14 14 PHE PHE i . n +Z 8 15 PHE 15 15 15 PHE PHE i . n +Z 8 16 VAL 16 16 16 VAL VAL i . n +Z 8 17 LEU 17 17 17 LEU LEU i . n +Z 8 18 LEU 18 18 18 LEU LEU i . n +Z 8 19 PHE 19 19 19 PHE PHE i . n +Z 8 20 VAL 20 20 20 VAL VAL i . n +Z 8 21 PHE 21 21 21 PHE PHE i . n +Z 8 22 GLY 22 22 22 GLY GLY i . n +Z 8 23 PHE 23 23 23 PHE PHE i . n +Z 8 24 LEU 24 24 24 LEU LEU i . n +Z 8 25 SER 25 25 25 SER SER i . n +Z 8 26 GLY 26 26 26 GLY GLY i . n +Z 8 27 ASP 27 27 27 ASP ASP i . n +Z 8 28 PRO 28 28 28 PRO PRO i . n +Z 8 29 ALA 29 29 29 ALA ALA i . n +Z 8 30 ARG 30 30 30 ARG ARG i . n +Z 8 31 ASN 31 31 31 ASN ASN i . n +Z 8 32 PRO 32 32 32 PRO PRO i . n +Z 8 33 LYS 33 33 33 LYS LYS i . n +Z 8 34 ARG 34 34 34 ARG ARG i . n +Z 8 35 LYS 35 35 35 LYS LYS i . n +Z 8 36 ASP 36 36 36 ASP ASP i . n +Z 8 37 LEU 37 37 37 LEU LEU i . n +Z 8 38 GLU 38 38 38 GLU GLU i . n +AA 9 1 MET 1 1 1 MET MET j . n +AA 9 2 SER 2 2 2 SER SER j . n +AA 9 3 GLU 3 3 3 GLU GLU j . n +AA 9 4 GLY 4 4 4 GLY GLY j . n +AA 9 5 GLY 5 5 5 GLY GLY j . n +AA 9 6 ARG 6 6 6 ARG ARG j . n +AA 9 7 ILE 7 7 7 ILE ILE j . n +AA 9 8 PRO 8 8 8 PRO PRO j . n +AA 9 9 LEU 9 9 9 LEU LEU j . n +AA 9 10 TRP 10 10 10 TRP TRP j . n +AA 9 11 ILE 11 11 11 ILE ILE j . n +AA 9 12 VAL 12 12 12 VAL VAL j . n +AA 9 13 ALA 13 13 13 ALA ALA j . n +AA 9 14 THR 14 14 14 THR THR j . n +AA 9 15 VAL 15 15 15 VAL VAL j . n +AA 9 16 ALA 16 16 16 ALA ALA j . n +AA 9 17 GLY 17 17 17 GLY GLY j . n +AA 9 18 MET 18 18 18 MET MET j . n +AA 9 19 GLY 19 19 19 GLY GLY j . n +AA 9 20 VAL 20 20 20 VAL VAL j . n +AA 9 21 ILE 21 21 21 ILE ILE j . n +AA 9 22 VAL 22 22 22 VAL VAL j . n +AA 9 23 ILE 23 23 23 ILE ILE j . n +AA 9 24 VAL 24 24 24 VAL VAL j . n +AA 9 25 GLY 25 25 25 GLY GLY j . n +AA 9 26 LEU 26 26 26 LEU LEU j . n +AA 9 27 PHE 27 27 27 PHE PHE j . n +AA 9 28 PHE 28 28 28 PHE PHE j . n +AA 9 29 TYR 29 29 29 TYR TYR j . n +AA 9 30 GLY 30 30 30 GLY GLY j . n +AA 9 31 ALA 31 31 31 ALA ALA j . n +AA 9 32 TYR 32 32 32 TYR TYR j . n +AA 9 33 ALA 33 33 33 ALA ALA j . n +AA 9 34 GLY 34 34 34 GLY GLY j . n +AA 9 35 LEU 35 35 35 LEU LEU j . n +AA 9 36 GLY 36 36 36 GLY GLY j . n +AA 9 37 SER 37 37 37 SER SER j . n +AA 9 38 SER 38 38 38 SER SER j . n +AA 9 39 LEU 39 39 39 LEU LEU j . n +BA 10 1 LYS 1 10 10 LYS LYS k . n +BA 10 2 LEU 2 11 11 LEU LEU k . n +BA 10 3 PRO 3 12 12 PRO PRO k . n +BA 10 4 GLU 4 13 13 GLU GLU k . n +BA 10 5 ALA 5 14 14 ALA ALA k . n +BA 10 6 TYR 6 15 15 TYR TYR k . n +BA 10 7 ALA 7 16 16 ALA ALA k . n +BA 10 8 ILE 8 17 17 ILE ILE k . n +BA 10 9 PHE 9 18 18 PHE PHE k . n +BA 10 10 ASP 10 19 19 ASP ASP k . n +BA 10 11 PRO 11 20 20 PRO PRO k . n +BA 10 12 LEU 12 21 21 LEU LEU k . n +BA 10 13 VAL 13 22 22 VAL VAL k . n +BA 10 14 ASP 14 23 23 ASP ASP k . n +BA 10 15 VAL 15 24 24 VAL VAL k . n +BA 10 16 LEU 16 25 25 LEU LEU k . n +BA 10 17 PRO 17 26 26 PRO PRO k . n +BA 10 18 VAL 18 27 27 VAL VAL k . n +BA 10 19 ILE 19 28 28 ILE ILE k . n +BA 10 20 PRO 20 29 29 PRO PRO k . n +BA 10 21 VAL 21 30 30 VAL VAL k . n +BA 10 22 LEU 22 31 31 LEU LEU k . n +BA 10 23 PHE 23 32 32 PHE PHE k . n +BA 10 24 LEU 24 33 33 LEU LEU k . n +BA 10 25 ALA 25 34 34 ALA ALA k . n +BA 10 26 LEU 26 35 35 LEU LEU k . n +BA 10 27 ALA 27 36 36 ALA ALA k . n +BA 10 28 PHE 28 37 37 PHE PHE k . n +BA 10 29 VAL 29 38 38 VAL VAL k . n +BA 10 30 TRP 30 39 39 TRP TRP k . n +BA 10 31 GLN 31 40 40 GLN GLN k . n +BA 10 32 ALA 32 41 41 ALA ALA k . n +BA 10 33 ALA 33 42 42 ALA ALA k . n +BA 10 34 VAL 34 43 43 VAL VAL k . n +BA 10 35 GLY 35 44 44 GLY GLY k . n +BA 10 36 PHE 36 45 45 PHE PHE k . n +BA 10 37 ARG 37 46 46 ARG ARG k . n +CA 11 1 MET 1 1 ? ? ? l . n +CA 11 2 GLU 2 2 2 GLU GLU l . n +CA 11 3 PRO 3 3 3 PRO PRO l . n +CA 11 4 ASN 4 4 4 ASN ASN l . n +CA 11 5 PRO 5 5 5 PRO PRO l . n +CA 11 6 ASN 6 6 6 ASN ASN l . n +CA 11 7 ARG 7 7 7 ARG ARG l . n +CA 11 8 GLN 8 8 8 GLN GLN l . n +CA 11 9 PRO 9 9 9 PRO PRO l . n +CA 11 10 VAL 10 10 10 VAL VAL l . n +CA 11 11 GLU 11 11 11 GLU GLU l . n +CA 11 12 LEU 12 12 12 LEU LEU l . n +CA 11 13 ASN 13 13 13 ASN ASN l . n +CA 11 14 ARG 14 14 14 ARG ARG l . n +CA 11 15 THR 15 15 15 THR THR l . n +CA 11 16 SER 16 16 16 SER SER l . n +CA 11 17 LEU 17 17 17 LEU LEU l . n +CA 11 18 TYR 18 18 18 TYR TYR l . n +CA 11 19 LEU 19 19 19 LEU LEU l . n +CA 11 20 GLY 20 20 20 GLY GLY l . n +CA 11 21 LEU 21 21 21 LEU LEU l . n +CA 11 22 LEU 22 22 22 LEU LEU l . n +CA 11 23 LEU 23 23 23 LEU LEU l . n +CA 11 24 ILE 24 24 24 ILE ILE l . n +CA 11 25 LEU 25 25 25 LEU LEU l . n +CA 11 26 VAL 26 26 26 VAL VAL l . n +CA 11 27 LEU 27 27 27 LEU LEU l . n +CA 11 28 ALA 28 28 28 ALA ALA l . n +CA 11 29 LEU 29 29 29 LEU LEU l . n +CA 11 30 LEU 30 30 30 LEU LEU l . n +CA 11 31 PHE 31 31 31 PHE PHE l . n +CA 11 32 SER 32 32 32 SER SER l . n +CA 11 33 SER 33 33 33 SER SER l . n +CA 11 34 TYR 34 34 34 TYR TYR l . n +CA 11 35 PHE 35 35 35 PHE PHE l . n +CA 11 36 PHE 36 36 36 PHE PHE l . n +CA 11 37 ASN 37 37 37 ASN ASN l . n +DA 12 1 FME 1 1 1 FME FME m . n +DA 12 2 GLU 2 2 2 GLU GLU m . n +DA 12 3 VAL 3 3 3 VAL VAL m . n +DA 12 4 ASN 4 4 4 ASN ASN m . n +DA 12 5 GLN 5 5 5 GLN GLN m . n +DA 12 6 LEU 6 6 6 LEU LEU m . n +DA 12 7 GLY 7 7 7 GLY GLY m . n +DA 12 8 LEU 8 8 8 LEU LEU m . n +DA 12 9 ILE 9 9 9 ILE ILE m . n +DA 12 10 ALA 10 10 10 ALA ALA m . n +DA 12 11 THR 11 11 11 THR THR m . n +DA 12 12 ALA 12 12 12 ALA ALA m . n +DA 12 13 LEU 13 13 13 LEU LEU m . n +DA 12 14 PHE 14 14 14 PHE PHE m . n +DA 12 15 VAL 15 15 15 VAL VAL m . n +DA 12 16 LEU 16 16 16 LEU LEU m . n +DA 12 17 VAL 17 17 17 VAL VAL m . n +DA 12 18 PRO 18 18 18 PRO PRO m . n +DA 12 19 SER 19 19 19 SER SER m . n +DA 12 20 VAL 20 20 20 VAL VAL m . n +DA 12 21 PHE 21 21 21 PHE PHE m . n +DA 12 22 LEU 22 22 22 LEU LEU m . n +DA 12 23 ILE 23 23 23 ILE ILE m . n +DA 12 24 ILE 24 24 24 ILE ILE m . n +DA 12 25 LEU 25 25 25 LEU LEU m . n +DA 12 26 TYR 26 26 26 TYR TYR m . n +DA 12 27 VAL 27 27 27 VAL VAL m . n +DA 12 28 GLN 28 28 28 GLN GLN m . n +DA 12 29 THR 29 29 29 THR THR m . n +DA 12 30 GLU 30 30 30 GLU GLU m . n +DA 12 31 SER 31 31 31 SER SER m . n +DA 12 32 GLN 32 32 32 GLN GLN m . n +DA 12 33 GLN 33 33 33 GLN GLN m . n +DA 12 34 LYS 34 34 34 LYS LYS m . n +DA 12 35 SER 35 35 ? ? ? m . n +DA 12 36 SER 36 36 ? ? ? m . n +EA 13 1 GLN 1 3 ? ? ? o . n +EA 13 2 THR 2 4 4 THR THR o . n +EA 13 3 LEU 3 5 5 LEU LEU o . n +EA 13 4 THR 4 6 6 THR THR o . n +EA 13 5 TYR 5 7 7 TYR TYR o . n +EA 13 6 ASP 6 8 8 ASP ASP o . n +EA 13 7 ASP 7 9 9 ASP ASP o . n +EA 13 8 ILE 8 10 10 ILE ILE o . n +EA 13 9 VAL 9 11 11 VAL VAL o . n +EA 13 10 GLY 10 12 12 GLY GLY o . n +EA 13 11 THR 11 13 13 THR THR o . n +EA 13 12 GLY 12 14 14 GLY GLY o . n +EA 13 13 LEU 13 15 15 LEU LEU o . n +EA 13 14 ALA 14 16 16 ALA ALA o . n +EA 13 15 ASN 15 17 17 ASN ASN o . n +EA 13 16 LYS 16 18 18 LYS LYS o . n +EA 13 17 CYS 17 19 19 CYS CYS o . n +EA 13 18 PRO 18 20 20 PRO PRO o . n +EA 13 19 THR 19 21 21 THR THR o . n +EA 13 20 LEU 20 22 22 LEU LEU o . n +EA 13 21 ASP 21 23 23 ASP ASP o . n +EA 13 22 ASP 22 24 24 ASP ASP o . n +EA 13 23 THR 23 25 25 THR THR o . n +EA 13 24 ALA 24 26 26 ALA ALA o . n +EA 13 25 ARG 25 27 27 ARG ARG o . n +EA 13 26 GLY 26 28 28 GLY GLY o . n +EA 13 27 ALA 27 29 29 ALA ALA o . n +EA 13 28 TYR 28 30 30 TYR TYR o . n +EA 13 29 PRO 29 31 31 PRO PRO o . n +EA 13 30 ILE 30 32 32 ILE ILE o . n +EA 13 31 ASP 31 33 33 ASP ASP o . n +EA 13 32 SER 32 34 34 SER SER o . n +EA 13 33 SER 33 35 35 SER SER o . n +EA 13 34 GLN 34 36 36 GLN GLN o . n +EA 13 35 THR 35 37 37 THR THR o . n +EA 13 36 TYR 36 38 38 TYR TYR o . n +EA 13 37 ARG 37 39 39 ARG ARG o . n +EA 13 38 ILE 38 40 40 ILE ILE o . n +EA 13 39 ALA 39 41 41 ALA ALA o . n +EA 13 40 ARG 40 42 42 ARG ARG o . n +EA 13 41 LEU 41 43 43 LEU LEU o . n +EA 13 42 CYS 42 44 44 CYS CYS o . n +EA 13 43 LEU 43 45 45 LEU LEU o . n +EA 13 44 GLN 44 46 46 GLN GLN o . n +EA 13 45 PRO 45 47 47 PRO PRO o . n +EA 13 46 THR 46 48 48 THR THR o . n +EA 13 47 THR 47 49 49 THR THR o . n +EA 13 48 PHE 48 50 50 PHE PHE o . n +EA 13 49 LEU 49 51 51 LEU LEU o . n +EA 13 50 VAL 50 52 52 VAL VAL o . n +EA 13 51 LYS 51 53 53 LYS LYS o . n +EA 13 52 GLU 52 54 54 GLU GLU o . n +EA 13 53 GLU 53 55 55 GLU GLU o . n +EA 13 54 PRO 54 56 56 PRO PRO o . n +EA 13 55 LYS 55 57 57 LYS LYS o . n +EA 13 56 ASN 56 58 58 ASN ASN o . n +EA 13 57 LYS 57 59 59 LYS LYS o . n +EA 13 58 ARG 58 60 60 ARG ARG o . n +EA 13 59 GLN 59 61 61 GLN GLN o . n +EA 13 60 GLU 60 62 62 GLU GLU o . n +EA 13 61 ALA 61 63 63 ALA ALA o . n +EA 13 62 GLU 62 64 64 GLU GLU o . n +EA 13 63 PHE 63 65 65 PHE PHE o . n +EA 13 64 VAL 64 66 66 VAL VAL o . n +EA 13 65 PRO 65 67 67 PRO PRO o . n +EA 13 66 THR 66 68 68 THR THR o . n +EA 13 67 LYS 67 69 69 LYS LYS o . n +EA 13 68 LEU 68 70 70 LEU LEU o . n +EA 13 69 VAL 69 71 71 VAL VAL o . n +EA 13 70 THR 70 72 72 THR THR o . n +EA 13 71 ARG 71 73 73 ARG ARG o . n +EA 13 72 GLU 72 74 74 GLU GLU o . n +EA 13 73 THR 73 75 75 THR THR o . n +EA 13 74 THR 74 76 76 THR THR o . n +EA 13 75 SER 75 77 77 SER SER o . n +EA 13 76 LEU 76 78 78 LEU LEU o . n +EA 13 77 ASP 77 79 79 ASP ASP o . n +EA 13 78 GLN 78 80 80 GLN GLN o . n +EA 13 79 ILE 79 81 81 ILE ILE o . n +EA 13 80 GLN 80 82 82 GLN GLN o . n +EA 13 81 GLY 81 83 83 GLY GLY o . n +EA 13 82 GLU 82 84 84 GLU GLU o . n +EA 13 83 LEU 83 85 85 LEU LEU o . n +EA 13 84 LYS 84 86 86 LYS LYS o . n +EA 13 85 VAL 85 87 87 VAL VAL o . n +EA 13 86 ASN 86 88 88 ASN ASN o . n +EA 13 87 SER 87 89 89 SER SER o . n +EA 13 88 ASP 88 90 90 ASP ASP o . n +EA 13 89 GLY 89 91 91 GLY GLY o . n +EA 13 90 SER 90 92 92 SER SER o . n +EA 13 91 LEU 91 93 93 LEU LEU o . n +EA 13 92 THR 92 94 94 THR THR o . n +EA 13 93 PHE 93 95 95 PHE PHE o . n +EA 13 94 VAL 94 96 96 VAL VAL o . n +EA 13 95 GLU 95 97 97 GLU GLU o . n +EA 13 96 GLU 96 98 98 GLU GLU o . n +EA 13 97 ASP 97 99 99 ASP ASP o . n +EA 13 98 GLY 98 100 100 GLY GLY o . n +EA 13 99 ILE 99 101 101 ILE ILE o . n +EA 13 100 ASP 100 102 102 ASP ASP o . n +EA 13 101 PHE 101 103 103 PHE PHE o . n +EA 13 102 GLN 102 104 104 GLN GLN o . n +EA 13 103 PRO 103 105 105 PRO PRO o . n +EA 13 104 VAL 104 106 106 VAL VAL o . n +EA 13 105 THR 105 107 107 THR THR o . n +EA 13 106 VAL 106 108 108 VAL VAL o . n +EA 13 107 GLN 107 109 109 GLN GLN o . n +EA 13 108 MET 108 110 110 MET MET o . n +EA 13 109 ALA 109 111 111 ALA ALA o . n +EA 13 110 GLY 110 112 112 GLY GLY o . n +EA 13 111 GLY 111 113 113 GLY GLY o . n +EA 13 112 GLU 112 114 114 GLU GLU o . n +EA 13 113 ARG 113 115 115 ARG ARG o . n +EA 13 114 ILE 114 116 116 ILE ILE o . n +EA 13 115 PRO 115 117 117 PRO PRO o . n +EA 13 116 LEU 116 118 118 LEU LEU o . n +EA 13 117 LEU 117 119 119 LEU LEU o . n +EA 13 118 PHE 118 120 120 PHE PHE o . n +EA 13 119 THR 119 121 121 THR THR o . n +EA 13 120 VAL 120 122 122 VAL VAL o . n +EA 13 121 LYS 121 123 123 LYS LYS o . n +EA 13 122 ASN 122 124 124 ASN ASN o . n +EA 13 123 LEU 123 125 125 LEU LEU o . n +EA 13 124 VAL 124 126 126 VAL VAL o . n +EA 13 125 ALA 125 127 127 ALA ALA o . n +EA 13 126 SER 126 128 128 SER SER o . n +EA 13 127 THR 127 129 129 THR THR o . n +EA 13 128 GLN 128 130 130 GLN GLN o . n +EA 13 129 PRO 129 131 131 PRO PRO o . n +EA 13 130 ASN 130 132 132 ASN ASN o . n +EA 13 131 VAL 131 133 133 VAL VAL o . n +EA 13 132 THR 132 134 134 THR THR o . n +EA 13 133 SER 133 135 135 SER SER o . n +EA 13 134 ILE 134 136 136 ILE ILE o . n +EA 13 135 THR 135 137 137 THR THR o . n +EA 13 136 THR 136 138 138 THR THR o . n +EA 13 137 SER 137 139 139 SER SER o . n +EA 13 138 THR 138 140 140 THR THR o . n +EA 13 139 ASP 139 141 141 ASP ASP o . n +EA 13 140 PHE 140 142 142 PHE PHE o . n +EA 13 141 LYS 141 143 143 LYS LYS o . n +EA 13 142 GLY 142 144 144 GLY GLY o . n +EA 13 143 GLU 143 145 145 GLU GLU o . n +EA 13 144 PHE 144 146 146 PHE PHE o . n +EA 13 145 ASN 145 147 147 ASN ASN o . n +EA 13 146 VAL 146 148 148 VAL VAL o . n +EA 13 147 PRO 147 149 149 PRO PRO o . n +EA 13 148 SER 148 150 150 SER SER o . n +EA 13 149 TYR 149 151 151 TYR TYR o . n +EA 13 150 ARG 150 152 152 ARG ARG o . n +EA 13 151 THR 151 153 153 THR THR o . n +EA 13 152 ALA 152 154 154 ALA ALA o . n +EA 13 153 ASN 153 155 155 ASN ASN o . n +EA 13 154 PHE 154 156 156 PHE PHE o . n +EA 13 155 LEU 155 157 157 LEU LEU o . n +EA 13 156 ASP 156 158 158 ASP ASP o . n +EA 13 157 PRO 157 159 159 PRO PRO o . n +EA 13 158 LYS 158 160 160 LYS LYS o . n +EA 13 159 GLY 159 161 161 GLY GLY o . n +EA 13 160 ARG 160 162 162 ARG ARG o . n +EA 13 161 GLY 161 163 163 GLY GLY o . n +EA 13 162 LEU 162 164 164 LEU LEU o . n +EA 13 163 ALA 163 165 165 ALA ALA o . n +EA 13 164 SER 164 166 166 SER SER o . n +EA 13 165 GLY 165 167 167 GLY GLY o . n +EA 13 166 TYR 166 168 168 TYR TYR o . n +EA 13 167 ASP 167 169 169 ASP ASP o . n +EA 13 168 SER 168 170 170 SER SER o . n +EA 13 169 ALA 169 171 171 ALA ALA o . n +EA 13 170 ILE 170 172 172 ILE ILE o . n +EA 13 171 ALA 171 173 173 ALA ALA o . n +EA 13 172 LEU 172 174 174 LEU LEU o . n +EA 13 173 PRO 173 175 175 PRO PRO o . n +EA 13 174 GLN 174 176 176 GLN GLN o . n +EA 13 175 ALA 175 177 177 ALA ALA o . n +EA 13 176 LYS 176 178 178 LYS LYS o . n +EA 13 177 GLU 177 179 179 GLU GLU o . n +EA 13 178 GLU 178 180 180 GLU GLU o . n +EA 13 179 GLU 179 181 181 GLU GLU o . n +EA 13 180 LEU 180 182 182 LEU LEU o . n +EA 13 181 ALA 181 183 183 ALA ALA o . n +EA 13 182 ARG 182 184 184 ARG ARG o . n +EA 13 183 ALA 183 185 185 ALA ALA o . n +EA 13 184 ASN 184 186 186 ASN ASN o . n +EA 13 185 VAL 185 187 187 VAL VAL o . n +EA 13 186 LYS 186 188 188 LYS LYS o . n +EA 13 187 ARG 187 189 189 ARG ARG o . n +EA 13 188 PHE 188 190 190 PHE PHE o . n +EA 13 189 SER 189 191 191 SER SER o . n +EA 13 190 LEU 190 192 192 LEU LEU o . n +EA 13 191 THR 191 193 193 THR THR o . n +EA 13 192 LYS 192 194 194 LYS LYS o . n +EA 13 193 GLY 193 195 195 GLY GLY o . n +EA 13 194 GLN 194 196 196 GLN GLN o . n +EA 13 195 ILE 195 197 197 ILE ILE o . n +EA 13 196 SER 196 198 198 SER SER o . n +EA 13 197 LEU 197 199 199 LEU LEU o . n +EA 13 198 ASN 198 200 200 ASN ASN o . n +EA 13 199 VAL 199 201 201 VAL VAL o . n +EA 13 200 ALA 200 202 202 ALA ALA o . n +EA 13 201 LYS 201 203 203 LYS LYS o . n +EA 13 202 VAL 202 204 204 VAL VAL o . n +EA 13 203 ASP 203 205 205 ASP ASP o . n +EA 13 204 GLY 204 206 206 GLY GLY o . n +EA 13 205 ARG 205 207 207 ARG ARG o . n +EA 13 206 THR 206 208 208 THR THR o . n +EA 13 207 GLY 207 209 209 GLY GLY o . n +EA 13 208 GLU 208 210 210 GLU GLU o . n +EA 13 209 ILE 209 211 211 ILE ILE o . n +EA 13 210 ALA 210 212 212 ALA ALA o . n +EA 13 211 GLY 211 213 213 GLY GLY o . n +EA 13 212 THR 212 214 214 THR THR o . n +EA 13 213 PHE 213 215 215 PHE PHE o . n +EA 13 214 GLU 214 216 216 GLU GLU o . n +EA 13 215 SER 215 217 217 SER SER o . n +EA 13 216 GLU 216 218 218 GLU GLU o . n +EA 13 217 GLN 217 219 219 GLN GLN o . n +EA 13 218 LEU 218 220 220 LEU LEU o . n +EA 13 219 SER 219 221 221 SER SER o . n +EA 13 220 ASP 220 222 222 ASP ASP o . n +EA 13 221 ASP 221 223 223 ASP ASP o . n +EA 13 222 ASP 222 224 224 ASP ASP o . n +EA 13 223 MET 223 225 225 MET MET o . n +EA 13 224 GLY 224 226 226 GLY GLY o . n +EA 13 225 ALA 225 227 227 ALA ALA o . n +EA 13 226 HIS 226 228 228 HIS HIS o . n +EA 13 227 GLU 227 229 229 GLU GLU o . n +EA 13 228 PRO 228 230 230 PRO PRO o . n +EA 13 229 HIS 229 231 231 HIS HIS o . n +EA 13 230 GLU 230 232 232 GLU GLU o . n +EA 13 231 VAL 231 233 233 VAL VAL o . n +EA 13 232 LYS 232 234 234 LYS LYS o . n +EA 13 233 ILE 233 235 235 ILE ILE o . n +EA 13 234 GLN 234 236 236 GLN GLN o . n +EA 13 235 GLY 235 237 237 GLY GLY o . n +EA 13 236 VAL 236 238 238 VAL VAL o . n +EA 13 237 PHE 237 239 239 PHE PHE o . n +EA 13 238 TYR 238 240 240 TYR TYR o . n +EA 13 239 ALA 239 241 241 ALA ALA o . n +EA 13 240 SER 240 242 242 SER SER o . n +EA 13 241 ILE 241 243 243 ILE ILE o . n +EA 13 242 GLU 242 244 244 GLU GLU o . n +EA 13 243 PRO 243 245 245 PRO PRO o . n +EA 13 244 ALA 244 246 246 ALA ALA o . n +FA 14 1 FME 1 1 1 FME FME t . n +FA 14 2 GLU 2 2 2 GLU GLU t . n +FA 14 3 THR 3 3 3 THR THR t . n +FA 14 4 ILE 4 4 4 ILE ILE t . n +FA 14 5 THR 5 5 5 THR THR t . n +FA 14 6 TYR 6 6 6 TYR TYR t . n +FA 14 7 VAL 7 7 7 VAL VAL t . n +FA 14 8 PHE 8 8 8 PHE PHE t . n +FA 14 9 ILE 9 9 9 ILE ILE t . n +FA 14 10 PHE 10 10 10 PHE PHE t . n +FA 14 11 ALA 11 11 11 ALA ALA t . n +FA 14 12 CYS 12 12 12 CYS CYS t . n +FA 14 13 ILE 13 13 13 ILE ILE t . n +FA 14 14 ILE 14 14 14 ILE ILE t . n +FA 14 15 ALA 15 15 15 ALA ALA t . n +FA 14 16 LEU 16 16 16 LEU LEU t . n +FA 14 17 PHE 17 17 17 PHE PHE t . n +FA 14 18 PHE 18 18 18 PHE PHE t . n +FA 14 19 PHE 19 19 19 PHE PHE t . n +FA 14 20 ALA 20 20 20 ALA ALA t . n +FA 14 21 ILE 21 21 21 ILE ILE t . n +FA 14 22 PHE 22 22 22 PHE PHE t . n +FA 14 23 PHE 23 23 23 PHE PHE t . n +FA 14 24 ARG 24 24 24 ARG ARG t . n +FA 14 25 GLU 25 25 25 GLU GLU t . n +FA 14 26 PRO 26 26 26 PRO PRO t . n +FA 14 27 PRO 27 27 27 PRO PRO t . n +FA 14 28 ARG 28 28 28 ARG ARG t . n +FA 14 29 ILE 29 29 29 ILE ILE t . n +FA 14 30 THR 30 30 30 THR THR t . n +FA 14 31 LYS 31 31 ? ? ? t . n +FA 14 32 LYS 32 32 ? ? ? t . n +GA 15 1 ALA 1 1 ? ? ? u . n +GA 15 2 THR 2 2 ? ? ? u . n +GA 15 3 ALA 3 3 ? ? ? u . n +GA 15 4 SER 4 4 ? ? ? u . n +GA 15 5 THR 5 5 ? ? ? u . n +GA 15 6 GLU 6 6 ? ? ? u . n +GA 15 7 GLU 7 7 ? ? ? u . n +GA 15 8 GLU 8 8 8 GLU GLU u . n +GA 15 9 LEU 9 9 9 LEU LEU u . n +GA 15 10 VAL 10 10 10 VAL VAL u . n +GA 15 11 ASN 11 11 11 ASN ASN u . n +GA 15 12 VAL 12 12 12 VAL VAL u . n +GA 15 13 VAL 13 13 13 VAL VAL u . n +GA 15 14 ASP 14 14 14 ASP ASP u . n +GA 15 15 GLU 15 15 15 GLU GLU u . n +GA 15 16 LYS 16 16 16 LYS LYS u . n +GA 15 17 LEU 17 17 17 LEU LEU u . n +GA 15 18 GLY 18 18 18 GLY GLY u . n +GA 15 19 THR 19 19 19 THR THR u . n +GA 15 20 ALA 20 20 20 ALA ALA u . n +GA 15 21 TYR 21 21 21 TYR TYR u . n +GA 15 22 GLY 22 22 22 GLY GLY u . n +GA 15 23 GLU 23 23 23 GLU GLU u . n +GA 15 24 LYS 24 24 24 LYS LYS u . n +GA 15 25 ILE 25 25 25 ILE ILE u . n +GA 15 26 ASP 26 26 26 ASP ASP u . n +GA 15 27 LEU 27 27 27 LEU LEU u . n +GA 15 28 ASN 28 28 28 ASN ASN u . n +GA 15 29 ASN 29 29 29 ASN ASN u . n +GA 15 30 THR 30 30 30 THR THR u . n +GA 15 31 ASN 31 31 31 ASN ASN u . n +GA 15 32 ILE 32 32 32 ILE ILE u . n +GA 15 33 ALA 33 33 33 ALA ALA u . n +GA 15 34 ALA 34 34 34 ALA ALA u . n +GA 15 35 PHE 35 35 35 PHE PHE u . n +GA 15 36 ILE 36 36 36 ILE ILE u . n +GA 15 37 GLN 37 37 37 GLN GLN u . n +GA 15 38 TYR 38 38 38 TYR TYR u . n +GA 15 39 ARG 39 39 39 ARG ARG u . n +GA 15 40 GLY 40 40 40 GLY GLY u . n +GA 15 41 LEU 41 41 41 LEU LEU u . n +GA 15 42 TYR 42 42 42 TYR TYR u . n +GA 15 43 PRO 43 43 43 PRO PRO u . n +GA 15 44 THR 44 44 44 THR THR u . n +GA 15 45 LEU 45 45 45 LEU LEU u . n +GA 15 46 ALA 46 46 46 ALA ALA u . n +GA 15 47 LYS 47 47 47 LYS LYS u . n +GA 15 48 LEU 48 48 48 LEU LEU u . n +GA 15 49 ILE 49 49 49 ILE ILE u . n +GA 15 50 VAL 50 50 50 VAL VAL u . n +GA 15 51 LYS 51 51 51 LYS LYS u . n +GA 15 52 ASN 52 52 52 ASN ASN u . n +GA 15 53 ALA 53 53 53 ALA ALA u . n +GA 15 54 PRO 54 54 54 PRO PRO u . n +GA 15 55 TYR 55 55 55 TYR TYR u . n +GA 15 56 GLU 56 56 56 GLU GLU u . n +GA 15 57 SER 57 57 57 SER SER u . n +GA 15 58 VAL 58 58 58 VAL VAL u . n +GA 15 59 GLU 59 59 59 GLU GLU u . n +GA 15 60 ASP 60 60 60 ASP ASP u . n +GA 15 61 VAL 61 61 61 VAL VAL u . n +GA 15 62 LEU 62 62 62 LEU LEU u . n +GA 15 63 ASN 63 63 63 ASN ASN u . n +GA 15 64 ILE 64 64 64 ILE ILE u . n +GA 15 65 PRO 65 65 65 PRO PRO u . n +GA 15 66 GLY 66 66 66 GLY GLY u . n +GA 15 67 LEU 67 67 67 LEU LEU u . n +GA 15 68 THR 68 68 68 THR THR u . n +GA 15 69 GLU 69 69 69 GLU GLU u . n +GA 15 70 ARG 70 70 70 ARG ARG u . n +GA 15 71 GLN 71 71 71 GLN GLN u . n +GA 15 72 LYS 72 72 72 LYS LYS u . n +GA 15 73 GLN 73 73 73 GLN GLN u . n +GA 15 74 ILE 74 74 74 ILE ILE u . n +GA 15 75 LEU 75 75 75 LEU LEU u . n +GA 15 76 ARG 76 76 76 ARG ARG u . n +GA 15 77 GLU 77 77 77 GLU GLU u . n +GA 15 78 ASN 78 78 78 ASN ASN u . n +GA 15 79 LEU 79 79 79 LEU LEU u . n +GA 15 80 GLU 80 80 80 GLU GLU u . n +GA 15 81 HIS 81 81 81 HIS HIS u . n +GA 15 82 PHE 82 82 82 PHE PHE u . n +GA 15 83 THR 83 83 83 THR THR u . n +GA 15 84 VAL 84 84 84 VAL VAL u . n +GA 15 85 THR 85 85 85 THR THR u . n +GA 15 86 GLU 86 86 86 GLU GLU u . n +GA 15 87 VAL 87 87 87 VAL VAL u . n +GA 15 88 GLU 88 88 88 GLU GLU u . n +GA 15 89 THR 89 89 89 THR THR u . n +GA 15 90 ALA 90 90 90 ALA ALA u . n +GA 15 91 LEU 91 91 91 LEU LEU u . n +GA 15 92 VAL 92 92 92 VAL VAL u . n +GA 15 93 GLU 93 93 93 GLU GLU u . n +GA 15 94 GLY 94 94 94 GLY GLY u . n +GA 15 95 GLY 95 95 95 GLY GLY u . n +GA 15 96 ASP 96 96 96 ASP ASP u . n +GA 15 97 ARG 97 97 97 ARG ARG u . n +GA 15 98 TYR 98 98 98 TYR TYR u . n +GA 15 99 ASN 99 99 99 ASN ASN u . n +GA 15 100 ASN 100 100 100 ASN ASN u . n +GA 15 101 GLY 101 101 101 GLY GLY u . n +GA 15 102 LEU 102 102 102 LEU LEU u . n +GA 15 103 TYR 103 103 103 TYR TYR u . n +GA 15 104 LYS 104 104 104 LYS LYS u . n +HA 16 1 ALA 1 1 1 ALA ALA v . n +HA 16 2 GLU 2 2 2 GLU GLU v . n +HA 16 3 LEU 3 3 3 LEU LEU v . n +HA 16 4 THR 4 4 4 THR THR v . n +HA 16 5 PRO 5 5 5 PRO PRO v . n +HA 16 6 GLU 6 6 6 GLU GLU v . n +HA 16 7 VAL 7 7 7 VAL VAL v . n +HA 16 8 LEU 8 8 8 LEU LEU v . n +HA 16 9 THR 9 9 9 THR THR v . n +HA 16 10 VAL 10 10 10 VAL VAL v . n +HA 16 11 PRO 11 11 11 PRO PRO v . n +HA 16 12 LEU 12 12 12 LEU LEU v . n +HA 16 13 ASN 13 13 13 ASN ASN v . n +HA 16 14 SER 14 14 14 SER SER v . n +HA 16 15 GLU 15 15 15 GLU GLU v . n +HA 16 16 GLY 16 16 16 GLY GLY v . n +HA 16 17 LYS 17 17 17 LYS LYS v . n +HA 16 18 THR 18 18 18 THR THR v . n +HA 16 19 ILE 19 19 19 ILE ILE v . n +HA 16 20 THR 20 20 20 THR THR v . n +HA 16 21 LEU 21 21 21 LEU LEU v . n +HA 16 22 THR 22 22 22 THR THR v . n +HA 16 23 GLU 23 23 23 GLU GLU v . n +HA 16 24 LYS 24 24 24 LYS LYS v . n +HA 16 25 GLN 25 25 25 GLN GLN v . n +HA 16 26 TYR 26 26 26 TYR TYR v . n +HA 16 27 LEU 27 27 27 LEU LEU v . n +HA 16 28 GLU 28 28 28 GLU GLU v . n +HA 16 29 GLY 29 29 29 GLY GLY v . n +HA 16 30 LYS 30 30 30 LYS LYS v . n +HA 16 31 ARG 31 31 31 ARG ARG v . n +HA 16 32 LEU 32 32 32 LEU LEU v . n +HA 16 33 PHE 33 33 33 PHE PHE v . n +HA 16 34 GLN 34 34 34 GLN GLN v . n +HA 16 35 TYR 35 35 35 TYR TYR v . n +HA 16 36 ALA 36 36 36 ALA ALA v . n +HA 16 37 CYS 37 37 37 CYS CYS v . n +HA 16 38 ALA 38 38 38 ALA ALA v . n +HA 16 39 SER 39 39 39 SER SER v . n +HA 16 40 CYS 40 40 40 CYS CYS v . n +HA 16 41 HIS 41 41 41 HIS HIS v . n +HA 16 42 VAL 42 42 42 VAL VAL v . n +HA 16 43 GLY 43 43 43 GLY GLY v . n +HA 16 44 GLY 44 44 44 GLY GLY v . n +HA 16 45 ILE 45 45 45 ILE ILE v . n +HA 16 46 THR 46 46 46 THR THR v . n +HA 16 47 LYS 47 47 47 LYS LYS v . n +HA 16 48 THR 48 48 48 THR THR v . n +HA 16 49 ASN 49 49 49 ASN ASN v . n +HA 16 50 PRO 50 50 50 PRO PRO v . n +HA 16 51 SER 51 51 51 SER SER v . n +HA 16 52 LEU 52 52 52 LEU LEU v . n +HA 16 53 ASP 53 53 53 ASP ASP v . n +HA 16 54 LEU 54 54 54 LEU LEU v . n +HA 16 55 ARG 55 55 55 ARG ARG v . n +HA 16 56 THR 56 56 56 THR THR v . n +HA 16 57 GLU 57 57 57 GLU GLU v . n +HA 16 58 THR 58 58 58 THR THR v . n +HA 16 59 LEU 59 59 59 LEU LEU v . n +HA 16 60 ALA 60 60 60 ALA ALA v . n +HA 16 61 LEU 61 61 61 LEU LEU v . n +HA 16 62 ALA 62 62 62 ALA ALA v . n +HA 16 63 THR 63 63 63 THR THR v . n +HA 16 64 PRO 64 64 64 PRO PRO v . n +HA 16 65 PRO 65 65 65 PRO PRO v . n +HA 16 66 ARG 66 66 66 ARG ARG v . n +HA 16 67 ASP 67 67 67 ASP ASP v . n +HA 16 68 ASN 68 68 68 ASN ASN v . n +HA 16 69 ILE 69 69 69 ILE ILE v . n +HA 16 70 GLU 70 70 70 GLU GLU v . n +HA 16 71 GLY 71 71 71 GLY GLY v . n +HA 16 72 LEU 72 72 72 LEU LEU v . n +HA 16 73 VAL 73 73 73 VAL VAL v . n +HA 16 74 ASP 74 74 74 ASP ASP v . n +HA 16 75 TYR 75 75 75 TYR TYR v . n +HA 16 76 MET 76 76 76 MET MET v . n +HA 16 77 LYS 77 77 77 LYS LYS v . n +HA 16 78 ASN 78 78 78 ASN ASN v . n +HA 16 79 PRO 79 79 79 PRO PRO v . n +HA 16 80 THR 80 80 80 THR THR v . n +HA 16 81 THR 81 81 81 THR THR v . n +HA 16 82 TYR 82 82 82 TYR TYR v . n +HA 16 83 ASP 83 83 83 ASP ASP v . n +HA 16 84 GLY 84 84 84 GLY GLY v . n +HA 16 85 GLU 85 85 85 GLU GLU v . n +HA 16 86 GLN 86 86 86 GLN GLN v . n +HA 16 87 GLU 87 87 87 GLU GLU v . n +HA 16 88 ILE 88 88 88 ILE ILE v . n +HA 16 89 ALA 89 89 89 ALA ALA v . n +HA 16 90 GLU 90 90 90 GLU GLU v . n +HA 16 91 VAL 91 91 91 VAL VAL v . n +HA 16 92 HIS 92 92 92 HIS HIS v . n +HA 16 93 PRO 93 93 93 PRO PRO v . n +HA 16 94 SER 94 94 94 SER SER v . n +HA 16 95 LEU 95 95 95 LEU LEU v . n +HA 16 96 ARG 96 96 96 ARG ARG v . n +HA 16 97 SER 97 97 97 SER SER v . n +HA 16 98 ALA 98 98 98 ALA ALA v . n +HA 16 99 ASP 99 99 99 ASP ASP v . n +HA 16 100 ILE 100 100 100 ILE ILE v . n +HA 16 101 PHE 101 101 101 PHE PHE v . n +HA 16 102 PRO 102 102 102 PRO PRO v . n +HA 16 103 LYS 103 103 103 LYS LYS v . n +HA 16 104 MET 104 104 104 MET MET v . n +HA 16 105 ARG 105 105 105 ARG ARG v . n +HA 16 106 ASN 106 106 106 ASN ASN v . n +HA 16 107 LEU 107 107 107 LEU LEU v . n +HA 16 108 THR 108 108 108 THR THR v . n +HA 16 109 GLU 109 109 109 GLU GLU v . n +HA 16 110 LYS 110 110 110 LYS LYS v . n +HA 16 111 ASP 111 111 111 ASP ASP v . n +HA 16 112 LEU 112 112 112 LEU LEU v . n +HA 16 113 VAL 113 113 113 VAL VAL v . n +HA 16 114 ALA 114 114 114 ALA ALA v . n +HA 16 115 ILE 115 115 115 ILE ILE v . n +HA 16 116 ALA 116 116 116 ALA ALA v . n +HA 16 117 GLY 117 117 117 GLY GLY v . n +HA 16 118 HIS 118 118 118 HIS HIS v . n +HA 16 119 ILE 119 119 119 ILE ILE v . n +HA 16 120 LEU 120 120 120 LEU LEU v . n +HA 16 121 VAL 121 121 121 VAL VAL v . n +HA 16 122 GLU 122 122 122 GLU GLU v . n +HA 16 123 PRO 123 123 123 PRO PRO v . n +HA 16 124 LYS 124 124 124 LYS LYS v . n +HA 16 125 ILE 125 125 125 ILE ILE v . n +HA 16 126 LEU 126 126 126 LEU LEU v . n +HA 16 127 GLY 127 127 127 GLY GLY v . n +HA 16 128 ASP 128 128 128 ASP ASP v . n +HA 16 129 LYS 129 129 129 LYS LYS v . n +HA 16 130 TRP 130 130 130 TRP TRP v . n +HA 16 131 GLY 131 131 131 GLY GLY v . n +HA 16 132 GLY 132 132 132 GLY GLY v . n +HA 16 133 GLY 133 133 133 GLY GLY v . n +HA 16 134 LYS 134 134 134 LYS LYS v . n +HA 16 135 VAL 135 135 135 VAL VAL v . n +HA 16 136 TYR 136 136 136 TYR TYR v . n +HA 16 137 TYR 137 137 137 TYR TYR v . n +IA 17 1 THR 1 2 2 THR THR x . n +IA 17 2 ILE 2 3 3 ILE ILE x . n +IA 17 3 THR 3 4 4 THR THR x . n +IA 17 4 PRO 4 5 5 PRO PRO x . n +IA 17 5 SER 5 6 6 SER SER x . n +IA 17 6 LEU 6 7 7 LEU LEU x . n +IA 17 7 LYS 7 8 8 LYS LYS x . n +IA 17 8 GLY 8 9 9 GLY GLY x . n +IA 17 9 PHE 9 10 10 PHE PHE x . n +IA 17 10 PHE 10 11 11 PHE PHE x . n +IA 17 11 ILE 11 12 12 ILE ILE x . n +IA 17 12 GLY 12 13 13 GLY GLY x . n +IA 17 13 LEU 13 14 14 LEU LEU x . n +IA 17 14 LEU 14 15 15 LEU LEU x . n +IA 17 15 SER 15 16 16 SER SER x . n +IA 17 16 GLY 16 17 17 GLY GLY x . n +IA 17 17 ALA 17 18 18 ALA ALA x . n +IA 17 18 VAL 18 19 19 VAL VAL x . n +IA 17 19 VAL 19 20 20 VAL VAL x . n +IA 17 20 LEU 20 21 21 LEU LEU x . n +IA 17 21 GLY 21 22 22 GLY GLY x . n +IA 17 22 LEU 22 23 23 LEU LEU x . n +IA 17 23 THR 23 24 24 THR THR x . n +IA 17 24 PHE 24 25 25 PHE PHE x . n +IA 17 25 ALA 25 26 26 ALA ALA x . n +IA 17 26 VAL 26 27 27 VAL VAL x . n +IA 17 27 LEU 27 28 28 LEU LEU x . n +IA 17 28 ILE 28 29 29 ILE ILE x . n +IA 17 29 ALA 29 30 30 ALA ALA x . n +IA 17 30 ILE 30 31 31 ILE ILE x . n +IA 17 31 SER 31 32 32 SER SER x . n +IA 17 32 GLN 32 33 33 GLN GLN x . n +IA 17 33 ILE 33 34 34 ILE ILE x . n +IA 17 34 ASP 34 35 35 ASP ASP x . n +IA 17 35 LYS 35 36 36 LYS LYS x . n +IA 17 36 VAL 36 37 37 VAL VAL x . n +IA 17 37 GLN 37 38 38 GLN GLN x . n +IA 17 38 ARG 38 39 39 ARG ARG x . n +IA 17 39 SER 39 40 ? ? ? x . n +IA 17 40 LEU 40 41 ? ? ? x . n +JA 18 1 GLU 1 17 ? ? ? y . n +JA 18 2 VAL 2 18 18 VAL VAL y . n +JA 18 3 ILE 3 19 19 ILE ILE y . n +JA 18 4 ALA 4 20 20 ALA ALA y . n +JA 18 5 GLN 5 21 21 GLN GLN y . n +JA 18 6 LEU 6 22 22 LEU LEU y . n +JA 18 7 THR 7 23 23 THR THR y . n +JA 18 8 MET 8 24 24 MET MET y . n +JA 18 9 ILE 9 25 25 ILE ILE y . n +JA 18 10 ALA 10 26 26 ALA ALA y . n +JA 18 11 MET 11 27 27 MET MET y . n +JA 18 12 ILE 12 28 28 ILE ILE y . n +JA 18 13 GLY 13 29 29 GLY GLY y . n +JA 18 14 ILE 14 30 30 ILE ILE y . n +JA 18 15 ALA 15 31 31 ALA ALA y . n +JA 18 16 GLY 16 32 32 GLY GLY y . n +JA 18 17 PRO 17 33 33 PRO PRO y . n +JA 18 18 MET 18 34 34 MET MET y . n +JA 18 19 ILE 19 35 35 ILE ILE y . n +JA 18 20 ILE 20 36 36 ILE ILE y . n +JA 18 21 PHE 21 37 37 PHE PHE y . n +JA 18 22 LEU 22 38 38 LEU LEU y . n +JA 18 23 LEU 23 39 39 LEU LEU y . n +JA 18 24 ALA 24 40 40 ALA ALA y . n +JA 18 25 VAL 25 41 41 VAL VAL y . n +JA 18 26 ARG 26 42 42 ARG ARG y . n +JA 18 27 ARG 27 43 43 ARG ARG y . n +JA 18 28 GLY 28 44 44 GLY GLY y . n +JA 18 29 ASN 29 45 45 ASN ASN y . n +JA 18 30 LEU 30 46 46 LEU LEU y . n +KA 19 1 MET 1 1 1 MET MET Z . n +KA 19 2 THR 2 2 2 THR THR Z . n +KA 19 3 ILE 3 3 3 ILE ILE Z . n +KA 19 4 LEU 4 4 4 LEU LEU Z . n +KA 19 5 PHE 5 5 5 PHE PHE Z . n +KA 19 6 GLN 6 6 6 GLN GLN Z . n +KA 19 7 LEU 7 7 7 LEU LEU Z . n +KA 19 8 ALA 8 8 8 ALA ALA Z . n +KA 19 9 LEU 9 9 9 LEU LEU Z . n +KA 19 10 ALA 10 10 10 ALA ALA Z . n +KA 19 11 ALA 11 11 11 ALA ALA Z . n +KA 19 12 LEU 12 12 12 LEU LEU Z . n +KA 19 13 VAL 13 13 13 VAL VAL Z . n +KA 19 14 ILE 14 14 14 ILE ILE Z . n +KA 19 15 LEU 15 15 15 LEU LEU Z . n +KA 19 16 SER 16 16 16 SER SER Z . n +KA 19 17 PHE 17 17 17 PHE PHE Z . n +KA 19 18 VAL 18 18 18 VAL VAL Z . n +KA 19 19 MET 19 19 19 MET MET Z . n +KA 19 20 VAL 20 20 20 VAL VAL Z . n +KA 19 21 ILE 21 21 21 ILE ILE Z . n +KA 19 22 GLY 22 22 22 GLY GLY Z . n +KA 19 23 VAL 23 23 23 VAL VAL Z . n +KA 19 24 PRO 24 24 24 PRO PRO Z . n +KA 19 25 VAL 25 25 25 VAL VAL Z . n +KA 19 26 ALA 26 26 26 ALA ALA Z . n +KA 19 27 TYR 27 27 27 TYR TYR Z . n +KA 19 28 ALA 28 28 28 ALA ALA Z . n +KA 19 29 SER 29 29 29 SER SER Z . n +KA 19 30 PRO 30 30 30 PRO PRO Z . n +KA 19 31 GLN 31 31 31 GLN GLN Z . n +KA 19 32 ASP 32 32 32 ASP ASP Z . n +KA 19 33 TRP 33 33 33 TRP TRP Z . n +KA 19 34 ASP 34 34 34 ASP ASP Z . n +KA 19 35 ARG 35 35 35 ARG ARG Z . n +KA 19 36 SER 36 36 36 SER SER Z . n +KA 19 37 LYS 37 37 37 LYS LYS Z . n +KA 19 38 GLN 38 38 38 GLN GLN Z . n +KA 19 39 LEU 39 39 39 LEU LEU Z . n +KA 19 40 ILE 40 40 40 ILE ILE Z . n +KA 19 41 PHE 41 41 41 PHE PHE Z . n +KA 19 42 LEU 42 42 42 LEU LEU Z . n +KA 19 43 GLY 43 43 43 GLY GLY Z . n +KA 19 44 SER 44 44 44 SER SER Z . n +KA 19 45 GLY 45 45 45 GLY GLY Z . n +KA 19 46 LEU 46 46 46 LEU LEU Z . n +KA 19 47 TRP 47 47 47 TRP TRP Z . n +KA 19 48 ILE 48 48 48 ILE ILE Z . n +KA 19 49 ALA 49 49 49 ALA ALA Z . n +KA 19 50 LEU 50 50 50 LEU LEU Z . n +KA 19 51 VAL 51 51 51 VAL VAL Z . n +KA 19 52 LEU 52 52 52 LEU LEU Z . n +KA 19 53 VAL 53 53 53 VAL VAL Z . n +KA 19 54 VAL 54 54 54 VAL VAL Z . n +KA 19 55 GLY 55 55 55 GLY GLY Z . n +KA 19 56 VAL 56 56 56 VAL VAL Z . n +KA 19 57 LEU 57 57 57 LEU LEU Z . n +KA 19 58 ASN 58 58 58 ASN ASN Z . n +KA 19 59 PHE 59 59 59 PHE PHE Z . n +KA 19 60 PHE 60 60 60 PHE PHE Z . n +KA 19 61 VAL 61 61 61 VAL VAL Z . n +KA 19 62 VAL 62 62 62 VAL VAL Z . n +LA 20 1 ASP 1 2 2 ASP ASP R . n +LA 20 2 TRP 2 3 3 TRP TRP R . n +LA 20 3 ARG 3 4 4 ARG ARG R . n +LA 20 4 VAL 4 5 5 VAL VAL R . n +LA 20 5 LEU 5 6 6 LEU LEU R . n +LA 20 6 VAL 6 7 7 VAL VAL R . n +LA 20 7 VAL 7 8 8 VAL VAL R . n +LA 20 8 LEU 8 9 9 LEU LEU R . n +LA 20 9 LEU 9 10 10 LEU LEU R . n +LA 20 10 PRO 10 11 11 PRO PRO R . n +LA 20 11 VAL 11 12 12 VAL VAL R . n +LA 20 12 LEU 12 13 13 LEU LEU R . n +LA 20 13 LEU 13 14 14 LEU LEU R . n +LA 20 14 ALA 14 15 15 ALA ALA R . n +LA 20 15 ALA 15 16 16 ALA ALA R . n +LA 20 16 GLY 16 17 17 GLY GLY R . n +LA 20 17 TRP 17 18 18 TRP TRP R . n +LA 20 18 ALA 18 19 19 ALA ALA R . n +LA 20 19 VAL 19 20 20 VAL VAL R . n +LA 20 20 ARG 20 21 21 ARG ARG R . n +LA 20 21 ASN 21 22 22 ASN ASN R . n +LA 20 22 ILE 22 23 23 ILE ILE R . n +LA 20 23 LEU 23 24 24 LEU LEU R . n +LA 20 24 PRO 24 25 25 PRO PRO R . n +LA 20 25 TYR 25 26 26 TYR TYR R . n +LA 20 26 ALA 26 27 27 ALA ALA R . n +LA 20 27 VAL 27 28 28 VAL VAL R . n +LA 20 28 LYS 28 29 29 LYS LYS R . n +LA 20 29 GLN 29 30 30 GLN GLN R . n +LA 20 30 VAL 30 31 31 VAL VAL R . n +LA 20 31 GLN 31 32 32 GLN GLN R . n +LA 20 32 LYS 32 33 33 LYS LYS R . n +LA 20 33 LEU 33 34 34 LEU LEU R . n +LA 20 34 LEU 34 35 35 LEU LEU R . n +MA 19 1 MET 1 1 1 MET MET z . n +MA 19 2 THR 2 2 2 THR THR z . n +MA 19 3 ILE 3 3 3 ILE ILE z . n +MA 19 4 LEU 4 4 4 LEU LEU z . n +MA 19 5 PHE 5 5 5 PHE PHE z . n +MA 19 6 GLN 6 6 6 GLN GLN z . n +MA 19 7 LEU 7 7 7 LEU LEU z . n +MA 19 8 ALA 8 8 8 ALA ALA z . n +MA 19 9 LEU 9 9 9 LEU LEU z . n +MA 19 10 ALA 10 10 10 ALA ALA z . n +MA 19 11 ALA 11 11 11 ALA ALA z . n +MA 19 12 LEU 12 12 12 LEU LEU z . n +MA 19 13 VAL 13 13 13 VAL VAL z . n +MA 19 14 ILE 14 14 14 ILE ILE z . n +MA 19 15 LEU 15 15 15 LEU LEU z . n +MA 19 16 SER 16 16 16 SER SER z . n +MA 19 17 PHE 17 17 17 PHE PHE z . n +MA 19 18 VAL 18 18 18 VAL VAL z . n +MA 19 19 MET 19 19 19 MET MET z . n +MA 19 20 VAL 20 20 20 VAL VAL z . n +MA 19 21 ILE 21 21 21 ILE ILE z . n +MA 19 22 GLY 22 22 22 GLY GLY z . n +MA 19 23 VAL 23 23 23 VAL VAL z . n +MA 19 24 PRO 24 24 24 PRO PRO z . n +MA 19 25 VAL 25 25 25 VAL VAL z . n +MA 19 26 ALA 26 26 26 ALA ALA z . n +MA 19 27 TYR 27 27 27 TYR TYR z . n +MA 19 28 ALA 28 28 28 ALA ALA z . n +MA 19 29 SER 29 29 29 SER SER z . n +MA 19 30 PRO 30 30 30 PRO PRO z . n +MA 19 31 GLN 31 31 31 GLN GLN z . n +MA 19 32 ASP 32 32 32 ASP ASP z . n +MA 19 33 TRP 33 33 33 TRP TRP z . n +MA 19 34 ASP 34 34 34 ASP ASP z . n +MA 19 35 ARG 35 35 35 ARG ARG z . n +MA 19 36 SER 36 36 36 SER SER z . n +MA 19 37 LYS 37 37 37 LYS LYS z . n +MA 19 38 GLN 38 38 38 GLN GLN z . n +MA 19 39 LEU 39 39 39 LEU LEU z . n +MA 19 40 ILE 40 40 40 ILE ILE z . n +MA 19 41 PHE 41 41 41 PHE PHE z . n +MA 19 42 LEU 42 42 42 LEU LEU z . n +MA 19 43 GLY 43 43 43 GLY GLY z . n +MA 19 44 SER 44 44 44 SER SER z . n +MA 19 45 GLY 45 45 45 GLY GLY z . n +MA 19 46 LEU 46 46 46 LEU LEU z . n +MA 19 47 TRP 47 47 47 TRP TRP z . n +MA 19 48 ILE 48 48 48 ILE ILE z . n +MA 19 49 ALA 49 49 49 ALA ALA z . n +MA 19 50 LEU 50 50 50 LEU LEU z . n +MA 19 51 VAL 51 51 51 VAL VAL z . n +MA 19 52 LEU 52 52 52 LEU LEU z . n +MA 19 53 VAL 53 53 53 VAL VAL z . n +MA 19 54 VAL 54 54 54 VAL VAL z . n +MA 19 55 GLY 55 55 55 GLY GLY z . n +MA 19 56 VAL 56 56 56 VAL VAL z . n +MA 19 57 LEU 57 57 57 LEU LEU z . n +MA 19 58 ASN 58 58 58 ASN ASN z . n +MA 19 59 PHE 59 59 59 PHE PHE z . n +MA 19 60 PHE 60 60 60 PHE PHE z . n +MA 19 61 VAL 61 61 61 VAL VAL z . n +MA 19 62 VAL 62 62 62 VAL VAL z . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +NA 21 FE2 1 401 401 FE2 FE2 A . +OA 22 CL 1 402 402 CL CL A . +PA 22 CL 1 403 403 CL CL A . +QA 23 CLA 1 404 404 CLA CLA A . +RA 23 CLA 1 405 405 CLA CLA A . +SA 23 CLA 1 406 406 CLA CLA A . +TA 24 PHO 1 407 407 PHO PHO A . +UA 23 CLA 1 408 408 CLA CLA A . +VA 25 BCR 1 409 409 BCR BCR A . +WA 26 SQD 1 410 410 SQD SQD A . +XA 27 GOL 1 411 411 GOL GOL A . +YA 26 SQD 1 412 412 SQD SQD A . +ZA 28 OEX 1 413 413 OEX OEX A . +AB 29 PL9 1 414 414 PL9 PL9 A . +BB 30 UNL 1 415 415 UNL UNL A . +CB 24 PHO 1 416 353 PHO PHO A . +DB 31 LMT 1 417 359 LMT LMT A . +EB 27 GOL 1 418 701 GOL GOL A . +FB 32 LHG 1 419 409 LHG LHG A . +GB 31 LMT 1 420 101 LMT LMT A . +HB 23 CLA 1 601 601 CLA CLA B . +IB 23 CLA 1 602 602 CLA CLA B . +JB 23 CLA 1 603 603 CLA CLA B . +KB 23 CLA 1 604 604 CLA CLA B . +LB 23 CLA 1 605 605 CLA CLA B . +MB 23 CLA 1 606 606 CLA CLA B . +NB 23 CLA 1 607 607 CLA CLA B . +OB 23 CLA 1 608 608 CLA CLA B . +PB 23 CLA 1 609 609 CLA CLA B . +QB 23 CLA 1 610 610 CLA CLA B . +RB 23 CLA 1 611 611 CLA CLA B . +SB 23 CLA 1 612 612 CLA CLA B . +TB 23 CLA 1 613 613 CLA CLA B . +UB 23 CLA 1 614 614 CLA CLA B . +VB 23 CLA 1 615 615 CLA CLA B . +WB 23 CLA 1 616 616 CLA CLA B . +XB 25 BCR 1 617 617 BCR BCR B . +YB 25 BCR 1 618 618 BCR BCR B . +ZB 25 BCR 1 619 619 BCR BCR B . +AC 26 SQD 1 620 620 SQD SQD B . +BC 33 LMG 1 621 621 LMG LMG B . +CC 34 HTG 1 622 622 HTG HTG B . +DC 34 HTG 1 623 623 HTG HTG B . +EC 27 GOL 1 624 624 GOL GOL B . +FC 34 HTG 1 625 626 HTG HTG B . +GC 30 UNL 1 626 627 UNL UNL B . +HC 27 GOL 1 627 901 GOL GOL B . +IC 31 LMT 1 628 404 LMT LMT B . +JC 27 GOL 1 629 412 GOL GOL B . +KC 31 LMT 1 630 414 LMT LMT B . +LC 31 LMT 1 631 101 LMT LMT B . +MC 33 LMG 1 501 501 LMG LMG C . +NC 23 CLA 1 502 502 CLA CLA C . +OC 23 CLA 1 503 503 CLA CLA C . +PC 23 CLA 1 504 504 CLA CLA C . +QC 23 CLA 1 505 505 CLA CLA C . +RC 23 CLA 1 506 506 CLA CLA C . +SC 23 CLA 1 507 507 CLA CLA C . +TC 23 CLA 1 508 508 CLA CLA C . +UC 23 CLA 1 509 509 CLA CLA C . +VC 23 CLA 1 510 510 CLA CLA C . +WC 23 CLA 1 511 511 CLA CLA C . +XC 23 CLA 1 512 512 CLA CLA C . +YC 23 CLA 1 513 513 CLA CLA C . +ZC 23 CLA 1 514 514 CLA CLA C . +AD 25 BCR 1 515 515 BCR BCR C . +BD 25 BCR 1 516 516 BCR BCR C . +CD 35 DGD 1 517 517 DGD DGD C . +DD 35 DGD 1 518 518 DGD DGD C . +ED 35 DGD 1 519 519 DGD DGD C . +FD 33 LMG 1 520 520 LMG LMG C . +GD 33 LMG 1 521 521 LMG LMG C . +HD 34 HTG 1 522 522 HTG HTG C . +ID 27 GOL 1 523 523 GOL GOL C . +JD 36 CA 1 524 524 CA CA C . +KD 37 BCT 1 401 348 BCT BCT D . +LD 23 CLA 1 402 405 CLA CLA D . +MD 23 CLA 1 403 406 CLA CLA D . +ND 25 BCR 1 404 407 BCR BCR D . +OD 29 PL9 1 405 408 PL9 PL9 D . +PD 32 LHG 1 406 410 LHG LHG D . +QD 32 LHG 1 407 411 LHG LHG D . +RD 30 UNL 1 408 412 UNL UNL D . +SD 30 UNL 1 409 413 UNL UNL D . +TD 34 HTG 1 410 414 HTG HTG D . +UD 33 LMG 1 411 415 LMG LMG D . +VD 27 GOL 1 412 701 GOL GOL D . +WD 32 LHG 1 101 101 LHG LHG E . +XD 38 HEM 1 102 103 HEM HEM E . +YD 31 LMT 1 101 102 LMT LMT F . +ZD 26 SQD 1 102 101 SQD SQD F . +AE 36 CA 1 103 102 CA CA F . +BE 25 BCR 1 101 101 BCR BCR H . +CE 35 DGD 1 102 102 DGD DGD H . +DE 30 UNL 1 101 102 UNL UNL I . +EE 30 UNL 1 101 101 UNL UNL J . +FE 39 MG 1 102 102 MG MG J . +GE 30 UNL 1 101 101 UNL UNL K . +HE 25 BCR 1 102 102 BCR BCR K . +IE 32 LHG 1 101 101 LHG LHG L . +JE 31 LMT 1 101 101 LMT LMT M . +KE 30 UNL 1 102 102 UNL UNL M . +LE 36 CA 1 301 301 CA CA O . +ME 27 GOL 1 302 501 GOL GOL O . +NE 27 GOL 1 303 601 GOL GOL O . +OE 31 LMT 1 101 103 LMT LMT T . +PE 25 BCR 1 102 101 BCR BCR T . +QE 40 HEC 1 201 202 HEC HEC V . +RE 34 HTG 1 202 203 HTG HTG V . +SE 27 GOL 1 203 401 GOL GOL V . +TE 30 UNL 1 101 101 UNL UNL X . +UE 25 BCR 1 101 101 BCR BCR Y . +VE 21 FE2 1 401 401 FE2 FE2 a . +WE 22 CL 1 402 402 CL CL a . +XE 22 CL 1 403 403 CL CL a . +YE 23 CLA 1 404 405 CLA CLA a . +ZE 23 CLA 1 405 407 CLA CLA a . +AF 24 PHO 1 406 408 PHO PHO a . +BF 23 CLA 1 407 409 CLA CLA a . +CF 25 BCR 1 408 410 BCR BCR a . +DF 26 SQD 1 409 411 SQD SQD a . +EF 26 SQD 1 410 413 SQD SQD a . +FF 28 OEX 1 411 415 OEX OEX a . +GF 29 PL9 1 412 416 PL9 PL9 a . +HF 30 UNL 1 413 417 UNL UNL a . +IF 24 PHO 1 414 353 PHO PHO a . +JF 33 LMG 1 415 419 LMG LMG a . +KF 31 LMT 1 416 420 LMT LMT a . +LF 27 GOL 1 417 701 GOL GOL a . +MF 27 GOL 1 418 801 GOL GOL a . +NF 32 LHG 1 419 101 LHG LHG a . +OF 23 CLA 1 601 601 CLA CLA b . +PF 23 CLA 1 602 602 CLA CLA b . +QF 23 CLA 1 603 603 CLA CLA b . +RF 23 CLA 1 604 604 CLA CLA b . +SF 23 CLA 1 605 605 CLA CLA b . +TF 23 CLA 1 606 606 CLA CLA b . +UF 23 CLA 1 607 607 CLA CLA b . +VF 23 CLA 1 608 608 CLA CLA b . +WF 23 CLA 1 609 609 CLA CLA b . +XF 23 CLA 1 610 610 CLA CLA b . +YF 23 CLA 1 611 611 CLA CLA b . +ZF 23 CLA 1 612 612 CLA CLA b . +AG 23 CLA 1 613 613 CLA CLA b . +BG 23 CLA 1 614 614 CLA CLA b . +CG 23 CLA 1 615 615 CLA CLA b . +DG 23 CLA 1 616 616 CLA CLA b . +EG 25 BCR 1 617 617 BCR BCR b . +FG 25 BCR 1 618 618 BCR BCR b . +GG 25 BCR 1 619 619 BCR BCR b . +HG 26 SQD 1 620 620 SQD SQD b . +IG 31 LMT 1 621 621 LMT LMT b . +JG 34 HTG 1 622 622 HTG HTG b . +KG 34 HTG 1 623 623 HTG HTG b . +LG 27 GOL 1 624 624 GOL GOL b . +MG 34 HTG 1 625 625 HTG HTG b . +NG 30 UNL 1 626 626 UNL UNL b . +OG 31 LMT 1 627 627 LMT LMT b . +PG 27 GOL 1 628 901 GOL GOL b . +QG 32 LHG 1 629 101 LHG LHG b . +RG 23 CLA 1 501 502 CLA CLA c . +SG 23 CLA 1 502 503 CLA CLA c . +TG 23 CLA 1 503 504 CLA CLA c . +UG 23 CLA 1 504 505 CLA CLA c . +VG 23 CLA 1 505 506 CLA CLA c . +WG 23 CLA 1 506 507 CLA CLA c . +XG 23 CLA 1 507 508 CLA CLA c . +YG 23 CLA 1 508 509 CLA CLA c . +ZG 23 CLA 1 509 510 CLA CLA c . +AH 23 CLA 1 510 511 CLA CLA c . +BH 23 CLA 1 511 512 CLA CLA c . +CH 23 CLA 1 512 513 CLA CLA c . +DH 23 CLA 1 513 514 CLA CLA c . +EH 25 BCR 1 514 515 BCR BCR c . +FH 25 BCR 1 515 516 BCR BCR c . +GH 35 DGD 1 516 517 DGD DGD c . +HH 35 DGD 1 517 518 DGD DGD c . +IH 35 DGD 1 518 519 DGD DGD c . +JH 33 LMG 1 519 520 LMG LMG c . +KH 33 LMG 1 520 521 LMG LMG c . +LH 34 HTG 1 521 522 HTG HTG c . +MH 36 CA 1 522 523 CA CA c . +NH 36 CA 1 523 524 CA CA c . +OH 30 UNL 1 524 525 UNL UNL c . +PH 27 GOL 1 525 742 GOL GOL c . +QH 27 GOL 1 526 743 GOL GOL c . +RH 37 BCT 1 401 404 BCT BCT d . +SH 23 CLA 1 402 406 CLA CLA d . +TH 23 CLA 1 403 402 CLA CLA d . +UH 23 CLA 1 404 403 CLA CLA d . +VH 25 BCR 1 405 404 BCR BCR d . +WH 29 PL9 1 406 405 PL9 PL9 d . +XH 32 LHG 1 407 407 LHG LHG d . +YH 32 LHG 1 408 408 LHG LHG d . +ZH 30 UNL 1 409 409 UNL UNL d . +AI 30 UNL 1 410 410 UNL UNL d . +BI 34 HTG 1 411 411 HTG HTG d . +CI 33 LMG 1 412 412 LMG LMG d . +DI 27 GOL 1 413 701 GOL GOL d . +EI 32 LHG 1 414 711 LHG LHG d . +FI 31 LMT 1 101 102 LMT LMT e . +GI 38 HEM 1 101 87 HEM HEM f . +HI 26 SQD 1 102 102 SQD SQD f . +II 36 CA 1 103 103 CA CA f . +JI 25 BCR 1 101 101 BCR BCR h . +KI 35 DGD 1 102 102 DGD DGD h . +LI 30 UNL 1 101 101 UNL UNL i . +MI 30 UNL 1 101 101 UNL UNL j . +NI 39 MG 1 102 102 MG MG j . +OI 25 BCR 1 101 101 BCR BCR k . +PI 27 GOL 1 801 801 GOL GOL l . +QI 33 LMG 1 101 101 LMG LMG m . +RI 30 UNL 1 102 102 UNL UNL m . +SI 31 LMT 1 103 103 LMT LMT m . +TI 36 CA 1 301 301 CA CA o . +UI 27 GOL 1 302 501 GOL GOL o . +VI 27 GOL 1 303 601 GOL GOL o . +WI 31 LMT 1 101 102 LMT LMT t . +XI 25 BCR 1 102 103 BCR BCR t . +YI 40 HEC 1 201 202 HEC HEC v . +ZI 27 GOL 1 202 401 GOL GOL v . +AJ 30 UNL 1 101 101 UNL UNL x . +BJ 25 BCR 1 101 101 BCR BCR y . +CJ 33 LMG 1 101 101 LMG LMG Z . +DJ 33 LMG 1 101 101 LMG LMG z . +EJ 41 HOH 1 501 202 HOH HOH A . +EJ 41 HOH 2 502 202 HOH HOH A . +EJ 41 HOH 3 503 535 HOH HOH A . +EJ 41 HOH 4 504 509 HOH HOH A . +EJ 41 HOH 5 505 506 HOH HOH A . +EJ 41 HOH 6 506 503 HOH HOH A . +EJ 41 HOH 7 507 514 HOH HOH A . +EJ 41 HOH 8 508 506 HOH HOH A . +EJ 41 HOH 9 509 518 HOH HOH A . +EJ 41 HOH 10 510 598 HOH HOH A . +EJ 41 HOH 11 511 533 HOH HOH A . +EJ 41 HOH 12 512 602 HOH HOH A . +EJ 41 HOH 13 513 111 HOH HOH A . +EJ 41 HOH 14 514 511 HOH HOH A . +EJ 41 HOH 15 515 512 HOH HOH A . +EJ 41 HOH 16 516 734 HOH HOH A . +EJ 41 HOH 17 517 520 HOH HOH A . +EJ 41 HOH 18 518 527 HOH HOH A . +EJ 41 HOH 19 519 508 HOH HOH A . +EJ 41 HOH 20 520 550 HOH HOH A . +EJ 41 HOH 21 521 542 HOH HOH A . +EJ 41 HOH 22 522 530 HOH HOH A . +EJ 41 HOH 23 523 531 HOH HOH A . +EJ 41 HOH 24 524 522 HOH HOH A . +EJ 41 HOH 25 525 510 HOH HOH A . +EJ 41 HOH 26 526 543 HOH HOH A . +EJ 41 HOH 27 527 537 HOH HOH A . +EJ 41 HOH 28 528 505 HOH HOH A . +EJ 41 HOH 29 529 532 HOH HOH A . +EJ 41 HOH 30 530 584 HOH HOH A . +EJ 41 HOH 31 531 536 HOH HOH A . +EJ 41 HOH 32 532 552 HOH HOH A . +EJ 41 HOH 33 533 540 HOH HOH A . +EJ 41 HOH 34 534 544 HOH HOH A . +EJ 41 HOH 35 535 541 HOH HOH A . +EJ 41 HOH 36 536 504 HOH HOH A . +EJ 41 HOH 37 537 578 HOH HOH A . +EJ 41 HOH 38 538 44 HOH HOH A . +EJ 41 HOH 39 539 526 HOH HOH A . +EJ 41 HOH 40 540 548 HOH HOH A . +EJ 41 HOH 41 541 507 HOH HOH A . +EJ 41 HOH 42 542 521 HOH HOH A . +EJ 41 HOH 43 543 516 HOH HOH A . +EJ 41 HOH 44 544 562 HOH HOH A . +EJ 41 HOH 45 545 515 HOH HOH A . +EJ 41 HOH 46 546 622 HOH HOH A . +EJ 41 HOH 47 547 523 HOH HOH A . +EJ 41 HOH 48 548 538 HOH HOH A . +EJ 41 HOH 49 549 549 HOH HOH A . +EJ 41 HOH 50 550 513 HOH HOH A . +EJ 41 HOH 51 551 529 HOH HOH A . +EJ 41 HOH 52 552 267 HOH HOH A . +EJ 41 HOH 53 553 102 HOH HOH A . +EJ 41 HOH 54 554 525 HOH HOH A . +EJ 41 HOH 55 555 545 HOH HOH A . +EJ 41 HOH 56 556 559 HOH HOH A . +EJ 41 HOH 57 557 505 HOH HOH A . +EJ 41 HOH 58 558 281 HOH HOH A . +EJ 41 HOH 59 559 139 HOH HOH A . +EJ 41 HOH 60 560 560 HOH HOH A . +EJ 41 HOH 61 561 547 HOH HOH A . +EJ 41 HOH 62 562 581 HOH HOH A . +EJ 41 HOH 63 563 575 HOH HOH A . +EJ 41 HOH 64 564 574 HOH HOH A . +EJ 41 HOH 65 565 579 HOH HOH A . +EJ 41 HOH 66 566 92 HOH HOH A . +EJ 41 HOH 67 567 546 HOH HOH A . +EJ 41 HOH 68 568 551 HOH HOH A . +EJ 41 HOH 69 569 577 HOH HOH A . +EJ 41 HOH 70 570 599 HOH HOH A . +EJ 41 HOH 71 571 570 HOH HOH A . +EJ 41 HOH 72 572 555 HOH HOH A . +EJ 41 HOH 73 573 554 HOH HOH A . +EJ 41 HOH 74 574 573 HOH HOH A . +EJ 41 HOH 75 575 576 HOH HOH A . +EJ 41 HOH 76 576 606 HOH HOH A . +EJ 41 HOH 77 577 608 HOH HOH A . +EJ 41 HOH 78 578 561 HOH HOH A . +EJ 41 HOH 79 579 247 HOH HOH A . +EJ 41 HOH 80 580 605 HOH HOH A . +EJ 41 HOH 81 581 568 HOH HOH A . +EJ 41 HOH 82 582 678 HOH HOH A . +EJ 41 HOH 83 583 603 HOH HOH A . +EJ 41 HOH 84 584 594 HOH HOH A . +EJ 41 HOH 85 585 586 HOH HOH A . +EJ 41 HOH 86 586 582 HOH HOH A . +EJ 41 HOH 87 587 614 HOH HOH A . +EJ 41 HOH 88 588 572 HOH HOH A . +EJ 41 HOH 89 589 564 HOH HOH A . +EJ 41 HOH 90 590 580 HOH HOH A . +EJ 41 HOH 91 591 502 HOH HOH A . +EJ 41 HOH 92 592 553 HOH HOH A . +EJ 41 HOH 93 593 604 HOH HOH A . +EJ 41 HOH 94 594 583 HOH HOH A . +EJ 41 HOH 95 595 600 HOH HOH A . +EJ 41 HOH 96 596 565 HOH HOH A . +EJ 41 HOH 97 597 591 HOH HOH A . +EJ 41 HOH 98 598 585 HOH HOH A . +EJ 41 HOH 99 599 567 HOH HOH A . +EJ 41 HOH 100 600 587 HOH HOH A . +EJ 41 HOH 101 601 536 HOH HOH A . +EJ 41 HOH 102 602 571 HOH HOH A . +EJ 41 HOH 103 603 589 HOH HOH A . +EJ 41 HOH 104 604 601 HOH HOH A . +EJ 41 HOH 105 605 592 HOH HOH A . +EJ 41 HOH 106 606 595 HOH HOH A . +EJ 41 HOH 107 607 558 HOH HOH A . +EJ 41 HOH 108 608 204 HOH HOH A . +EJ 41 HOH 109 609 206 HOH HOH A . +EJ 41 HOH 110 610 539 HOH HOH A . +EJ 41 HOH 111 611 726 HOH HOH A . +EJ 41 HOH 112 612 611 HOH HOH A . +EJ 41 HOH 113 613 580 HOH HOH A . +EJ 41 HOH 114 614 593 HOH HOH A . +EJ 41 HOH 115 615 604 HOH HOH A . +EJ 41 HOH 116 616 609 HOH HOH A . +EJ 41 HOH 117 617 613 HOH HOH A . +EJ 41 HOH 118 618 509 HOH HOH A . +EJ 41 HOH 119 619 618 HOH HOH A . +EJ 41 HOH 120 620 624 HOH HOH A . +EJ 41 HOH 121 621 621 HOH HOH A . +EJ 41 HOH 122 622 612 HOH HOH A . +EJ 41 HOH 123 623 623 HOH HOH A . +EJ 41 HOH 124 624 620 HOH HOH A . +EJ 41 HOH 125 625 617 HOH HOH A . +EJ 41 HOH 126 626 179 HOH HOH A . +EJ 41 HOH 127 627 607 HOH HOH A . +EJ 41 HOH 128 628 619 HOH HOH A . +EJ 41 HOH 129 629 597 HOH HOH A . +EJ 41 HOH 130 630 615 HOH HOH A . +EJ 41 HOH 131 631 596 HOH HOH A . +EJ 41 HOH 132 632 563 HOH HOH A . +EJ 41 HOH 133 633 625 HOH HOH A . +EJ 41 HOH 134 634 557 HOH HOH A . +EJ 41 HOH 135 635 616 HOH HOH A . +EJ 41 HOH 136 636 618 HOH HOH A . +EJ 41 HOH 137 637 827 HOH HOH A . +EJ 41 HOH 138 638 626 HOH HOH A . +EJ 41 HOH 139 639 629 HOH HOH A . +EJ 41 HOH 140 640 627 HOH HOH A . +EJ 41 HOH 141 641 140 HOH HOH A . +EJ 41 HOH 142 642 630 HOH HOH A . +FJ 41 HOH 1 701 701 HOH HOH B . +FJ 41 HOH 2 702 8 HOH HOH B . +FJ 41 HOH 3 703 720 HOH HOH B . +FJ 41 HOH 4 704 835 HOH HOH B . +FJ 41 HOH 5 705 575 HOH HOH B . +FJ 41 HOH 6 706 718 HOH HOH B . +FJ 41 HOH 7 707 824 HOH HOH B . +FJ 41 HOH 8 708 728 HOH HOH B . +FJ 41 HOH 9 709 730 HOH HOH B . +FJ 41 HOH 10 710 707 HOH HOH B . +FJ 41 HOH 11 711 752 HOH HOH B . +FJ 41 HOH 12 712 721 HOH HOH B . +FJ 41 HOH 13 713 779 HOH HOH B . +FJ 41 HOH 14 714 703 HOH HOH B . +FJ 41 HOH 15 715 727 HOH HOH B . +FJ 41 HOH 16 716 729 HOH HOH B . +FJ 41 HOH 17 717 742 HOH HOH B . +FJ 41 HOH 18 718 726 HOH HOH B . +FJ 41 HOH 19 719 713 HOH HOH B . +FJ 41 HOH 20 720 711 HOH HOH B . +FJ 41 HOH 21 721 219 HOH HOH B . +FJ 41 HOH 22 722 781 HOH HOH B . +FJ 41 HOH 23 723 704 HOH HOH B . +FJ 41 HOH 24 724 777 HOH HOH B . +FJ 41 HOH 25 725 715 HOH HOH B . +FJ 41 HOH 26 726 732 HOH HOH B . +FJ 41 HOH 27 727 709 HOH HOH B . +FJ 41 HOH 28 728 717 HOH HOH B . +FJ 41 HOH 29 729 222 HOH HOH B . +FJ 41 HOH 30 730 716 HOH HOH B . +FJ 41 HOH 31 731 712 HOH HOH B . +FJ 41 HOH 32 732 723 HOH HOH B . +FJ 41 HOH 33 733 724 HOH HOH B . +FJ 41 HOH 34 734 735 HOH HOH B . +FJ 41 HOH 35 735 744 HOH HOH B . +FJ 41 HOH 36 736 551 HOH HOH B . +FJ 41 HOH 37 737 419 HOH HOH B . +FJ 41 HOH 38 738 749 HOH HOH B . +FJ 41 HOH 39 739 706 HOH HOH B . +FJ 41 HOH 40 740 817 HOH HOH B . +FJ 41 HOH 41 741 797 HOH HOH B . +FJ 41 HOH 42 742 814 HOH HOH B . +FJ 41 HOH 43 743 223 HOH HOH B . +FJ 41 HOH 44 744 705 HOH HOH B . +FJ 41 HOH 45 745 203 HOH HOH B . +FJ 41 HOH 46 746 767 HOH HOH B . +FJ 41 HOH 47 747 758 HOH HOH B . +FJ 41 HOH 48 748 748 HOH HOH B . +FJ 41 HOH 49 749 775 HOH HOH B . +FJ 41 HOH 50 750 746 HOH HOH B . +FJ 41 HOH 51 751 719 HOH HOH B . +FJ 41 HOH 52 752 56 HOH HOH B . +FJ 41 HOH 53 753 736 HOH HOH B . +FJ 41 HOH 54 754 714 HOH HOH B . +FJ 41 HOH 55 755 228 HOH HOH B . +FJ 41 HOH 56 756 759 HOH HOH B . +FJ 41 HOH 57 757 753 HOH HOH B . +FJ 41 HOH 58 758 731 HOH HOH B . +FJ 41 HOH 59 759 760 HOH HOH B . +FJ 41 HOH 60 760 45 HOH HOH B . +FJ 41 HOH 61 761 743 HOH HOH B . +FJ 41 HOH 62 762 791 HOH HOH B . +FJ 41 HOH 63 763 745 HOH HOH B . +FJ 41 HOH 64 764 739 HOH HOH B . +FJ 41 HOH 65 765 796 HOH HOH B . +FJ 41 HOH 66 766 793 HOH HOH B . +FJ 41 HOH 67 767 769 HOH HOH B . +FJ 41 HOH 68 768 776 HOH HOH B . +FJ 41 HOH 69 769 787 HOH HOH B . +FJ 41 HOH 70 770 790 HOH HOH B . +FJ 41 HOH 71 771 848 HOH HOH B . +FJ 41 HOH 72 772 747 HOH HOH B . +FJ 41 HOH 73 773 773 HOH HOH B . +FJ 41 HOH 74 774 763 HOH HOH B . +FJ 41 HOH 75 775 788 HOH HOH B . +FJ 41 HOH 76 776 708 HOH HOH B . +FJ 41 HOH 77 777 807 HOH HOH B . +FJ 41 HOH 78 778 766 HOH HOH B . +FJ 41 HOH 79 779 757 HOH HOH B . +FJ 41 HOH 80 780 834 HOH HOH B . +FJ 41 HOH 81 781 786 HOH HOH B . +FJ 41 HOH 82 782 738 HOH HOH B . +FJ 41 HOH 83 783 754 HOH HOH B . +FJ 41 HOH 84 784 118 HOH HOH B . +FJ 41 HOH 85 785 780 HOH HOH B . +FJ 41 HOH 86 786 756 HOH HOH B . +FJ 41 HOH 87 787 90 HOH HOH B . +FJ 41 HOH 88 788 765 HOH HOH B . +FJ 41 HOH 89 789 803 HOH HOH B . +FJ 41 HOH 90 790 770 HOH HOH B . +FJ 41 HOH 91 791 740 HOH HOH B . +FJ 41 HOH 92 792 751 HOH HOH B . +FJ 41 HOH 93 793 772 HOH HOH B . +FJ 41 HOH 94 794 737 HOH HOH B . +FJ 41 HOH 95 795 22 HOH HOH B . +FJ 41 HOH 96 796 804 HOH HOH B . +FJ 41 HOH 97 797 733 HOH HOH B . +FJ 41 HOH 98 798 710 HOH HOH B . +FJ 41 HOH 99 799 559 HOH HOH B . +FJ 41 HOH 100 800 802 HOH HOH B . +FJ 41 HOH 101 801 838 HOH HOH B . +FJ 41 HOH 102 802 782 HOH HOH B . +FJ 41 HOH 103 803 850 HOH HOH B . +FJ 41 HOH 104 804 216 HOH HOH B . +FJ 41 HOH 105 805 778 HOH HOH B . +FJ 41 HOH 106 806 725 HOH HOH B . +FJ 41 HOH 107 807 722 HOH HOH B . +FJ 41 HOH 108 808 69 HOH HOH B . +FJ 41 HOH 109 809 213 HOH HOH B . +FJ 41 HOH 110 810 112 HOH HOH B . +FJ 41 HOH 111 811 702 HOH HOH B . +FJ 41 HOH 112 812 784 HOH HOH B . +FJ 41 HOH 113 813 545 HOH HOH B . +FJ 41 HOH 114 814 785 HOH HOH B . +FJ 41 HOH 115 815 811 HOH HOH B . +FJ 41 HOH 116 816 23 HOH HOH B . +FJ 41 HOH 117 817 109 HOH HOH B . +FJ 41 HOH 118 818 783 HOH HOH B . +FJ 41 HOH 119 819 820 HOH HOH B . +FJ 41 HOH 120 820 789 HOH HOH B . +FJ 41 HOH 121 821 840 HOH HOH B . +FJ 41 HOH 122 822 812 HOH HOH B . +FJ 41 HOH 123 823 200 HOH HOH B . +FJ 41 HOH 124 824 825 HOH HOH B . +FJ 41 HOH 125 825 762 HOH HOH B . +FJ 41 HOH 126 826 809 HOH HOH B . +FJ 41 HOH 127 827 823 HOH HOH B . +FJ 41 HOH 128 828 810 HOH HOH B . +FJ 41 HOH 129 829 822 HOH HOH B . +FJ 41 HOH 130 830 755 HOH HOH B . +FJ 41 HOH 131 831 819 HOH HOH B . +FJ 41 HOH 132 832 801 HOH HOH B . +FJ 41 HOH 133 833 750 HOH HOH B . +FJ 41 HOH 134 834 832 HOH HOH B . +FJ 41 HOH 135 835 808 HOH HOH B . +FJ 41 HOH 136 836 764 HOH HOH B . +FJ 41 HOH 137 837 816 HOH HOH B . +FJ 41 HOH 138 838 792 HOH HOH B . +FJ 41 HOH 139 839 815 HOH HOH B . +FJ 41 HOH 140 840 795 HOH HOH B . +FJ 41 HOH 141 841 818 HOH HOH B . +FJ 41 HOH 142 842 841 HOH HOH B . +FJ 41 HOH 143 843 72 HOH HOH B . +FJ 41 HOH 144 844 798 HOH HOH B . +FJ 41 HOH 145 845 853 HOH HOH B . +FJ 41 HOH 146 846 829 HOH HOH B . +FJ 41 HOH 147 847 836 HOH HOH B . +FJ 41 HOH 148 848 806 HOH HOH B . +FJ 41 HOH 149 849 805 HOH HOH B . +FJ 41 HOH 150 850 828 HOH HOH B . +FJ 41 HOH 151 851 24 HOH HOH B . +FJ 41 HOH 152 852 846 HOH HOH B . +FJ 41 HOH 153 853 849 HOH HOH B . +FJ 41 HOH 154 854 821 HOH HOH B . +FJ 41 HOH 155 855 845 HOH HOH B . +FJ 41 HOH 156 856 774 HOH HOH B . +FJ 41 HOH 157 857 138 HOH HOH B . +FJ 41 HOH 158 858 71 HOH HOH B . +FJ 41 HOH 159 859 833 HOH HOH B . +FJ 41 HOH 160 860 813 HOH HOH B . +FJ 41 HOH 161 861 830 HOH HOH B . +FJ 41 HOH 162 862 844 HOH HOH B . +FJ 41 HOH 163 863 800 HOH HOH B . +FJ 41 HOH 164 864 799 HOH HOH B . +FJ 41 HOH 165 865 70 HOH HOH B . +FJ 41 HOH 166 866 839 HOH HOH B . +FJ 41 HOH 167 867 842 HOH HOH B . +FJ 41 HOH 168 868 837 HOH HOH B . +FJ 41 HOH 169 869 794 HOH HOH B . +FJ 41 HOH 170 870 858 HOH HOH B . +FJ 41 HOH 171 871 174 HOH HOH B . +FJ 41 HOH 172 872 856 HOH HOH B . +FJ 41 HOH 173 873 860 HOH HOH B . +FJ 41 HOH 174 874 236 HOH HOH B . +FJ 41 HOH 175 875 831 HOH HOH B . +FJ 41 HOH 176 876 851 HOH HOH B . +FJ 41 HOH 177 877 843 HOH HOH B . +FJ 41 HOH 178 878 863 HOH HOH B . +FJ 41 HOH 179 879 867 HOH HOH B . +FJ 41 HOH 180 880 768 HOH HOH B . +FJ 41 HOH 181 881 276 HOH HOH B . +FJ 41 HOH 182 882 220 HOH HOH B . +FJ 41 HOH 183 883 865 HOH HOH B . +FJ 41 HOH 184 884 857 HOH HOH B . +FJ 41 HOH 185 885 37 HOH HOH B . +FJ 41 HOH 186 886 864 HOH HOH B . +FJ 41 HOH 187 887 862 HOH HOH B . +GJ 41 HOH 1 601 272 HOH HOH C . +GJ 41 HOH 2 602 604 HOH HOH C . +GJ 41 HOH 3 603 605 HOH HOH C . +GJ 41 HOH 4 604 608 HOH HOH C . +GJ 41 HOH 5 605 610 HOH HOH C . +GJ 41 HOH 6 606 613 HOH HOH C . +GJ 41 HOH 7 607 602 HOH HOH C . +GJ 41 HOH 8 608 674 HOH HOH C . +GJ 41 HOH 9 609 652 HOH HOH C . +GJ 41 HOH 10 610 621 HOH HOH C . +GJ 41 HOH 11 611 607 HOH HOH C . +GJ 41 HOH 12 612 212 HOH HOH C . +GJ 41 HOH 13 613 612 HOH HOH C . +GJ 41 HOH 14 614 618 HOH HOH C . +GJ 41 HOH 15 615 624 HOH HOH C . +GJ 41 HOH 16 616 606 HOH HOH C . +GJ 41 HOH 17 617 305 HOH HOH C . +GJ 41 HOH 18 618 603 HOH HOH C . +GJ 41 HOH 19 619 651 HOH HOH C . +GJ 41 HOH 20 620 271 HOH HOH C . +GJ 41 HOH 21 621 663 HOH HOH C . +GJ 41 HOH 22 622 609 HOH HOH C . +GJ 41 HOH 23 623 623 HOH HOH C . +GJ 41 HOH 24 624 670 HOH HOH C . +GJ 41 HOH 25 625 620 HOH HOH C . +GJ 41 HOH 26 626 628 HOH HOH C . +GJ 41 HOH 27 627 217 HOH HOH C . +GJ 41 HOH 28 628 119 HOH HOH C . +GJ 41 HOH 29 629 634 HOH HOH C . +GJ 41 HOH 30 630 655 HOH HOH C . +GJ 41 HOH 31 631 615 HOH HOH C . +GJ 41 HOH 32 632 636 HOH HOH C . +GJ 41 HOH 33 633 638 HOH HOH C . +GJ 41 HOH 34 634 641 HOH HOH C . +GJ 41 HOH 35 635 614 HOH HOH C . +GJ 41 HOH 36 636 632 HOH HOH C . +GJ 41 HOH 37 637 712 HOH HOH C . +GJ 41 HOH 38 638 660 HOH HOH C . +GJ 41 HOH 39 639 669 HOH HOH C . +GJ 41 HOH 40 640 524 HOH HOH C . +GJ 41 HOH 41 641 648 HOH HOH C . +GJ 41 HOH 42 642 656 HOH HOH C . +GJ 41 HOH 43 643 686 HOH HOH C . +GJ 41 HOH 44 644 671 HOH HOH C . +GJ 41 HOH 45 645 676 HOH HOH C . +GJ 41 HOH 46 646 646 HOH HOH C . +GJ 41 HOH 47 647 573 HOH HOH C . +GJ 41 HOH 48 648 631 HOH HOH C . +GJ 41 HOH 49 649 659 HOH HOH C . +GJ 41 HOH 50 650 644 HOH HOH C . +GJ 41 HOH 51 651 673 HOH HOH C . +GJ 41 HOH 52 652 653 HOH HOH C . +GJ 41 HOH 53 653 662 HOH HOH C . +GJ 41 HOH 54 654 687 HOH HOH C . +GJ 41 HOH 55 655 704 HOH HOH C . +GJ 41 HOH 56 656 637 HOH HOH C . +GJ 41 HOH 57 657 633 HOH HOH C . +GJ 41 HOH 58 658 645 HOH HOH C . +GJ 41 HOH 59 659 675 HOH HOH C . +GJ 41 HOH 60 660 184 HOH HOH C . +GJ 41 HOH 61 661 25 HOH HOH C . +GJ 41 HOH 62 662 642 HOH HOH C . +GJ 41 HOH 63 663 185 HOH HOH C . +GJ 41 HOH 64 664 626 HOH HOH C . +GJ 41 HOH 65 665 714 HOH HOH C . +GJ 41 HOH 66 666 619 HOH HOH C . +GJ 41 HOH 67 667 616 HOH HOH C . +GJ 41 HOH 68 668 617 HOH HOH C . +GJ 41 HOH 69 669 664 HOH HOH C . +GJ 41 HOH 70 670 689 HOH HOH C . +GJ 41 HOH 71 671 643 HOH HOH C . +GJ 41 HOH 72 672 249 HOH HOH C . +GJ 41 HOH 73 673 202 HOH HOH C . +GJ 41 HOH 74 674 629 HOH HOH C . +GJ 41 HOH 75 675 649 HOH HOH C . +GJ 41 HOH 76 676 650 HOH HOH C . +GJ 41 HOH 77 677 677 HOH HOH C . +GJ 41 HOH 78 678 438 HOH HOH C . +GJ 41 HOH 79 679 697 HOH HOH C . +GJ 41 HOH 80 680 681 HOH HOH C . +GJ 41 HOH 81 681 665 HOH HOH C . +GJ 41 HOH 82 682 344 HOH HOH C . +GJ 41 HOH 83 683 696 HOH HOH C . +GJ 41 HOH 84 684 705 HOH HOH C . +GJ 41 HOH 85 685 727 HOH HOH C . +GJ 41 HOH 86 686 640 HOH HOH C . +GJ 41 HOH 87 687 693 HOH HOH C . +GJ 41 HOH 88 688 347 HOH HOH C . +GJ 41 HOH 89 689 205 HOH HOH C . +GJ 41 HOH 90 690 647 HOH HOH C . +GJ 41 HOH 91 691 707 HOH HOH C . +GJ 41 HOH 92 692 661 HOH HOH C . +GJ 41 HOH 93 693 57 HOH HOH C . +GJ 41 HOH 94 694 685 HOH HOH C . +GJ 41 HOH 95 695 657 HOH HOH C . +GJ 41 HOH 96 696 679 HOH HOH C . +GJ 41 HOH 97 697 268 HOH HOH C . +GJ 41 HOH 98 698 666 HOH HOH C . +GJ 41 HOH 99 699 683 HOH HOH C . +GJ 41 HOH 100 700 691 HOH HOH C . +GJ 41 HOH 101 701 672 HOH HOH C . +GJ 41 HOH 102 702 625 HOH HOH C . +GJ 41 HOH 103 703 667 HOH HOH C . +GJ 41 HOH 104 704 654 HOH HOH C . +GJ 41 HOH 105 705 708 HOH HOH C . +GJ 41 HOH 106 706 692 HOH HOH C . +GJ 41 HOH 107 707 731 HOH HOH C . +GJ 41 HOH 108 708 590 HOH HOH C . +GJ 41 HOH 109 709 694 HOH HOH C . +GJ 41 HOH 110 710 703 HOH HOH C . +GJ 41 HOH 111 711 658 HOH HOH C . +GJ 41 HOH 112 712 695 HOH HOH C . +GJ 41 HOH 113 713 701 HOH HOH C . +GJ 41 HOH 114 714 215 HOH HOH C . +GJ 41 HOH 115 715 698 HOH HOH C . +GJ 41 HOH 116 716 106 HOH HOH C . +GJ 41 HOH 117 717 700 HOH HOH C . +GJ 41 HOH 118 718 639 HOH HOH C . +GJ 41 HOH 119 719 713 HOH HOH C . +GJ 41 HOH 120 720 709 HOH HOH C . +GJ 41 HOH 121 721 680 HOH HOH C . +GJ 41 HOH 122 722 635 HOH HOH C . +GJ 41 HOH 123 723 251 HOH HOH C . +GJ 41 HOH 124 724 135 HOH HOH C . +GJ 41 HOH 125 725 86 HOH HOH C . +GJ 41 HOH 126 726 127 HOH HOH C . +GJ 41 HOH 127 727 720 HOH HOH C . +GJ 41 HOH 128 728 722 HOH HOH C . +GJ 41 HOH 129 729 702 HOH HOH C . +GJ 41 HOH 130 730 260 HOH HOH C . +GJ 41 HOH 131 731 351 HOH HOH C . +GJ 41 HOH 132 732 717 HOH HOH C . +GJ 41 HOH 133 733 715 HOH HOH C . +GJ 41 HOH 134 734 699 HOH HOH C . +GJ 41 HOH 135 735 231 HOH HOH C . +GJ 41 HOH 136 736 711 HOH HOH C . +GJ 41 HOH 137 737 710 HOH HOH C . +GJ 41 HOH 138 738 719 HOH HOH C . +GJ 41 HOH 139 739 682 HOH HOH C . +GJ 41 HOH 140 740 725 HOH HOH C . +GJ 41 HOH 141 741 721 HOH HOH C . +GJ 41 HOH 142 742 706 HOH HOH C . +GJ 41 HOH 143 743 690 HOH HOH C . +GJ 41 HOH 144 744 718 HOH HOH C . +GJ 41 HOH 145 745 724 HOH HOH C . +GJ 41 HOH 146 746 684 HOH HOH C . +GJ 41 HOH 147 747 716 HOH HOH C . +GJ 41 HOH 148 748 186 HOH HOH C . +GJ 41 HOH 149 749 723 HOH HOH C . +GJ 41 HOH 150 750 729 HOH HOH C . +GJ 41 HOH 151 751 733 HOH HOH C . +GJ 41 HOH 152 752 736 HOH HOH C . +GJ 41 HOH 153 753 95 HOH HOH C . +GJ 41 HOH 154 754 739 HOH HOH C . +GJ 41 HOH 155 755 734 HOH HOH C . +GJ 41 HOH 156 756 78 HOH HOH C . +GJ 41 HOH 157 757 740 HOH HOH C . +GJ 41 HOH 158 758 730 HOH HOH C . +GJ 41 HOH 159 759 741 HOH HOH C . +GJ 41 HOH 160 760 688 HOH HOH C . +GJ 41 HOH 161 761 737 HOH HOH C . +GJ 41 HOH 162 762 735 HOH HOH C . +GJ 41 HOH 163 763 216 HOH HOH C . +GJ 41 HOH 164 764 738 HOH HOH C . +GJ 41 HOH 165 765 728 HOH HOH C . +GJ 41 HOH 166 766 742 HOH HOH C . +GJ 41 HOH 167 767 84 HOH HOH C . +GJ 41 HOH 168 768 744 HOH HOH C . +GJ 41 HOH 169 769 743 HOH HOH C . +HJ 41 HOH 1 501 516 HOH HOH D . +HJ 41 HOH 2 502 503 HOH HOH D . +HJ 41 HOH 3 503 510 HOH HOH D . +HJ 41 HOH 4 504 502 HOH HOH D . +HJ 41 HOH 5 505 508 HOH HOH D . +HJ 41 HOH 6 506 521 HOH HOH D . +HJ 41 HOH 7 507 528 HOH HOH D . +HJ 41 HOH 8 508 528 HOH HOH D . +HJ 41 HOH 9 509 514 HOH HOH D . +HJ 41 HOH 10 510 525 HOH HOH D . +HJ 41 HOH 11 511 527 HOH HOH D . +HJ 41 HOH 12 512 560 HOH HOH D . +HJ 41 HOH 13 513 518 HOH HOH D . +HJ 41 HOH 14 514 513 HOH HOH D . +HJ 41 HOH 15 515 534 HOH HOH D . +HJ 41 HOH 16 516 38 HOH HOH D . +HJ 41 HOH 17 517 562 HOH HOH D . +HJ 41 HOH 18 518 504 HOH HOH D . +HJ 41 HOH 19 519 507 HOH HOH D . +HJ 41 HOH 20 520 526 HOH HOH D . +HJ 41 HOH 21 521 519 HOH HOH D . +HJ 41 HOH 22 522 540 HOH HOH D . +HJ 41 HOH 23 523 529 HOH HOH D . +HJ 41 HOH 24 524 520 HOH HOH D . +HJ 41 HOH 25 525 555 HOH HOH D . +HJ 41 HOH 26 526 511 HOH HOH D . +HJ 41 HOH 27 527 515 HOH HOH D . +HJ 41 HOH 28 528 522 HOH HOH D . +HJ 41 HOH 29 529 611 HOH HOH D . +HJ 41 HOH 30 530 548 HOH HOH D . +HJ 41 HOH 31 531 576 HOH HOH D . +HJ 41 HOH 32 532 556 HOH HOH D . +HJ 41 HOH 33 533 531 HOH HOH D . +HJ 41 HOH 34 534 600 HOH HOH D . +HJ 41 HOH 35 535 574 HOH HOH D . +HJ 41 HOH 36 536 567 HOH HOH D . +HJ 41 HOH 37 537 565 HOH HOH D . +HJ 41 HOH 38 538 537 HOH HOH D . +HJ 41 HOH 39 539 561 HOH HOH D . +HJ 41 HOH 40 540 26 HOH HOH D . +HJ 41 HOH 41 541 169 HOH HOH D . +HJ 41 HOH 42 542 517 HOH HOH D . +HJ 41 HOH 43 543 550 HOH HOH D . +HJ 41 HOH 44 544 552 HOH HOH D . +HJ 41 HOH 45 545 563 HOH HOH D . +HJ 41 HOH 46 546 547 HOH HOH D . +HJ 41 HOH 47 547 542 HOH HOH D . +HJ 41 HOH 48 548 533 HOH HOH D . +HJ 41 HOH 49 549 549 HOH HOH D . +HJ 41 HOH 50 550 578 HOH HOH D . +HJ 41 HOH 51 551 523 HOH HOH D . +HJ 41 HOH 52 552 512 HOH HOH D . +HJ 41 HOH 53 553 579 HOH HOH D . +HJ 41 HOH 54 554 539 HOH HOH D . +HJ 41 HOH 55 555 556 HOH HOH D . +HJ 41 HOH 56 556 597 HOH HOH D . +HJ 41 HOH 57 557 588 HOH HOH D . +HJ 41 HOH 58 558 559 HOH HOH D . +HJ 41 HOH 59 559 265 HOH HOH D . +HJ 41 HOH 60 560 558 HOH HOH D . +HJ 41 HOH 61 561 554 HOH HOH D . +HJ 41 HOH 62 562 568 HOH HOH D . +HJ 41 HOH 63 563 566 HOH HOH D . +HJ 41 HOH 64 564 564 HOH HOH D . +HJ 41 HOH 65 565 582 HOH HOH D . +HJ 41 HOH 66 566 553 HOH HOH D . +HJ 41 HOH 67 567 535 HOH HOH D . +HJ 41 HOH 68 568 543 HOH HOH D . +HJ 41 HOH 69 569 581 HOH HOH D . +HJ 41 HOH 70 570 603 HOH HOH D . +HJ 41 HOH 71 571 587 HOH HOH D . +HJ 41 HOH 72 572 598 HOH HOH D . +HJ 41 HOH 73 573 546 HOH HOH D . +HJ 41 HOH 74 574 571 HOH HOH D . +HJ 41 HOH 75 575 120 HOH HOH D . +HJ 41 HOH 76 576 593 HOH HOH D . +HJ 41 HOH 77 577 589 HOH HOH D . +HJ 41 HOH 78 578 596 HOH HOH D . +HJ 41 HOH 79 579 606 HOH HOH D . +HJ 41 HOH 80 580 544 HOH HOH D . +HJ 41 HOH 81 581 586 HOH HOH D . +HJ 41 HOH 82 582 590 HOH HOH D . +HJ 41 HOH 83 583 607 HOH HOH D . +HJ 41 HOH 84 584 524 HOH HOH D . +HJ 41 HOH 85 585 62 HOH HOH D . +HJ 41 HOH 86 586 209 HOH HOH D . +HJ 41 HOH 87 587 605 HOH HOH D . +HJ 41 HOH 88 588 572 HOH HOH D . +HJ 41 HOH 89 589 570 HOH HOH D . +HJ 41 HOH 90 590 278 HOH HOH D . +HJ 41 HOH 91 591 532 HOH HOH D . +HJ 41 HOH 92 592 595 HOH HOH D . +HJ 41 HOH 93 593 538 HOH HOH D . +HJ 41 HOH 94 594 591 HOH HOH D . +HJ 41 HOH 95 595 585 HOH HOH D . +HJ 41 HOH 96 596 541 HOH HOH D . +HJ 41 HOH 97 597 584 HOH HOH D . +HJ 41 HOH 98 598 575 HOH HOH D . +HJ 41 HOH 99 599 4 HOH HOH D . +HJ 41 HOH 100 600 602 HOH HOH D . +HJ 41 HOH 101 601 96 HOH HOH D . +HJ 41 HOH 102 602 611 HOH HOH D . +HJ 41 HOH 103 603 592 HOH HOH D . +HJ 41 HOH 104 604 583 HOH HOH D . +HJ 41 HOH 105 605 613 HOH HOH D . +HJ 41 HOH 106 606 246 HOH HOH D . +HJ 41 HOH 107 607 608 HOH HOH D . +HJ 41 HOH 108 608 599 HOH HOH D . +HJ 41 HOH 109 609 609 HOH HOH D . +HJ 41 HOH 110 610 612 HOH HOH D . +HJ 41 HOH 111 611 601 HOH HOH D . +HJ 41 HOH 112 612 569 HOH HOH D . +HJ 41 HOH 113 613 617 HOH HOH D . +HJ 41 HOH 114 614 619 HOH HOH D . +HJ 41 HOH 115 615 615 HOH HOH D . +HJ 41 HOH 116 616 859 HOH HOH D . +HJ 41 HOH 117 617 211 HOH HOH D . +HJ 41 HOH 118 618 620 HOH HOH D . +HJ 41 HOH 119 619 621 HOH HOH D . +HJ 41 HOH 120 620 622 HOH HOH D . +IJ 41 HOH 1 201 202 HOH HOH E . +IJ 41 HOH 2 202 204 HOH HOH E . +IJ 41 HOH 3 203 205 HOH HOH E . +IJ 41 HOH 4 204 203 HOH HOH E . +IJ 41 HOH 5 205 206 HOH HOH E . +IJ 41 HOH 6 206 173 HOH HOH E . +IJ 41 HOH 7 207 213 HOH HOH E . +IJ 41 HOH 8 208 27 HOH HOH E . +IJ 41 HOH 9 209 208 HOH HOH E . +IJ 41 HOH 10 210 210 HOH HOH E . +IJ 41 HOH 11 211 207 HOH HOH E . +IJ 41 HOH 12 212 211 HOH HOH E . +IJ 41 HOH 13 213 212 HOH HOH E . +IJ 41 HOH 14 214 212 HOH HOH E . +IJ 41 HOH 15 215 214 HOH HOH E . +IJ 41 HOH 16 216 159 HOH HOH E . +IJ 41 HOH 17 217 215 HOH HOH E . +JJ 41 HOH 1 201 201 HOH HOH F . +JJ 41 HOH 2 202 202 HOH HOH F . +JJ 41 HOH 3 203 203 HOH HOH F . +JJ 41 HOH 4 204 149 HOH HOH F . +KJ 41 HOH 1 201 201 HOH HOH H . +KJ 41 HOH 2 202 204 HOH HOH H . +KJ 41 HOH 3 203 205 HOH HOH H . +KJ 41 HOH 4 204 77 HOH HOH H . +KJ 41 HOH 5 205 193 HOH HOH H . +KJ 41 HOH 6 206 91 HOH HOH H . +KJ 41 HOH 7 207 207 HOH HOH H . +KJ 41 HOH 8 208 206 HOH HOH H . +KJ 41 HOH 9 209 211 HOH HOH H . +KJ 41 HOH 10 210 166 HOH HOH H . +KJ 41 HOH 11 211 202 HOH HOH H . +KJ 41 HOH 12 212 209 HOH HOH H . +KJ 41 HOH 13 213 210 HOH HOH H . +KJ 41 HOH 14 214 16 HOH HOH H . +KJ 41 HOH 15 215 215 HOH HOH H . +KJ 41 HOH 16 216 213 HOH HOH H . +KJ 41 HOH 17 217 218 HOH HOH H . +KJ 41 HOH 18 218 217 HOH HOH H . +KJ 41 HOH 19 219 266 HOH HOH H . +KJ 41 HOH 20 220 156 HOH HOH H . +KJ 41 HOH 21 221 197 HOH HOH H . +KJ 41 HOH 22 222 219 HOH HOH H . +LJ 41 HOH 1 201 203 HOH HOH I . +LJ 41 HOH 2 202 201 HOH HOH I . +LJ 41 HOH 3 203 204 HOH HOH I . +LJ 41 HOH 4 204 205 HOH HOH I . +MJ 41 HOH 1 201 201 HOH HOH J . +MJ 41 HOH 2 202 203 HOH HOH J . +MJ 41 HOH 3 203 103 HOH HOH J . +MJ 41 HOH 4 204 158 HOH HOH J . +MJ 41 HOH 5 205 29 HOH HOH J . +MJ 41 HOH 6 206 205 HOH HOH J . +NJ 41 HOH 1 201 204 HOH HOH K . +NJ 41 HOH 2 202 203 HOH HOH K . +NJ 41 HOH 3 203 201 HOH HOH K . +NJ 41 HOH 4 204 206 HOH HOH K . +NJ 41 HOH 5 205 732 HOH HOH K . +OJ 41 HOH 1 201 201 HOH HOH L . +OJ 41 HOH 2 202 854 HOH HOH L . +OJ 41 HOH 3 203 82 HOH HOH L . +OJ 41 HOH 4 204 202 HOH HOH L . +OJ 41 HOH 5 205 847 HOH HOH L . +OJ 41 HOH 6 206 206 HOH HOH L . +OJ 41 HOH 7 207 203 HOH HOH L . +OJ 41 HOH 8 208 203 HOH HOH L . +OJ 41 HOH 9 209 866 HOH HOH L . +PJ 41 HOH 1 201 202 HOH HOH M . +PJ 41 HOH 2 202 206 HOH HOH M . +PJ 41 HOH 3 203 210 HOH HOH M . +PJ 41 HOH 4 204 204 HOH HOH M . +PJ 41 HOH 5 205 207 HOH HOH M . +PJ 41 HOH 6 206 873 HOH HOH M . +QJ 41 HOH 1 401 855 HOH HOH O . +QJ 41 HOH 2 402 414 HOH HOH O . +QJ 41 HOH 3 403 402 HOH HOH O . +QJ 41 HOH 4 404 242 HOH HOH O . +QJ 41 HOH 5 405 181 HOH HOH O . +QJ 41 HOH 6 406 168 HOH HOH O . +QJ 41 HOH 7 407 410 HOH HOH O . +QJ 41 HOH 8 408 436 HOH HOH O . +QJ 41 HOH 9 409 412 HOH HOH O . +QJ 41 HOH 10 410 401 HOH HOH O . +QJ 41 HOH 11 411 761 HOH HOH O . +QJ 41 HOH 12 412 63 HOH HOH O . +QJ 41 HOH 13 413 415 HOH HOH O . +QJ 41 HOH 14 414 406 HOH HOH O . +QJ 41 HOH 15 415 441 HOH HOH O . +QJ 41 HOH 16 416 411 HOH HOH O . +QJ 41 HOH 17 417 413 HOH HOH O . +QJ 41 HOH 18 418 9 HOH HOH O . +QJ 41 HOH 19 419 259 HOH HOH O . +QJ 41 HOH 20 420 421 HOH HOH O . +QJ 41 HOH 21 421 403 HOH HOH O . +QJ 41 HOH 22 422 405 HOH HOH O . +QJ 41 HOH 23 423 416 HOH HOH O . +QJ 41 HOH 24 424 423 HOH HOH O . +QJ 41 HOH 25 425 409 HOH HOH O . +QJ 41 HOH 26 426 34 HOH HOH O . +QJ 41 HOH 27 427 442 HOH HOH O . +QJ 41 HOH 28 428 622 HOH HOH O . +QJ 41 HOH 29 429 432 HOH HOH O . +QJ 41 HOH 30 430 407 HOH HOH O . +QJ 41 HOH 31 431 852 HOH HOH O . +QJ 41 HOH 32 432 448 HOH HOH O . +QJ 41 HOH 33 433 418 HOH HOH O . +QJ 41 HOH 34 434 172 HOH HOH O . +QJ 41 HOH 35 435 224 HOH HOH O . +QJ 41 HOH 36 436 428 HOH HOH O . +QJ 41 HOH 37 437 439 HOH HOH O . +QJ 41 HOH 38 438 459 HOH HOH O . +QJ 41 HOH 39 439 420 HOH HOH O . +QJ 41 HOH 40 440 211 HOH HOH O . +QJ 41 HOH 41 441 430 HOH HOH O . +QJ 41 HOH 42 442 417 HOH HOH O . +QJ 41 HOH 43 443 519 HOH HOH O . +QJ 41 HOH 44 444 282 HOH HOH O . +QJ 41 HOH 45 445 427 HOH HOH O . +QJ 41 HOH 46 446 458 HOH HOH O . +QJ 41 HOH 47 447 425 HOH HOH O . +QJ 41 HOH 48 448 426 HOH HOH O . +QJ 41 HOH 49 449 424 HOH HOH O . +QJ 41 HOH 50 450 429 HOH HOH O . +QJ 41 HOH 51 451 408 HOH HOH O . +QJ 41 HOH 52 452 206 HOH HOH O . +QJ 41 HOH 53 453 117 HOH HOH O . +QJ 41 HOH 54 454 435 HOH HOH O . +QJ 41 HOH 55 455 445 HOH HOH O . +QJ 41 HOH 56 456 566 HOH HOH O . +QJ 41 HOH 57 457 99 HOH HOH O . +QJ 41 HOH 58 458 467 HOH HOH O . +QJ 41 HOH 59 459 444 HOH HOH O . +QJ 41 HOH 60 460 431 HOH HOH O . +QJ 41 HOH 61 461 455 HOH HOH O . +QJ 41 HOH 62 462 221 HOH HOH O . +QJ 41 HOH 63 463 440 HOH HOH O . +QJ 41 HOH 64 464 460 HOH HOH O . +QJ 41 HOH 65 465 192 HOH HOH O . +QJ 41 HOH 66 466 443 HOH HOH O . +QJ 41 HOH 67 467 454 HOH HOH O . +QJ 41 HOH 68 468 280 HOH HOH O . +QJ 41 HOH 69 469 449 HOH HOH O . +QJ 41 HOH 70 470 434 HOH HOH O . +QJ 41 HOH 71 471 446 HOH HOH O . +QJ 41 HOH 72 472 433 HOH HOH O . +QJ 41 HOH 73 473 457 HOH HOH O . +QJ 41 HOH 74 474 131 HOH HOH O . +QJ 41 HOH 75 475 451 HOH HOH O . +QJ 41 HOH 76 476 453 HOH HOH O . +QJ 41 HOH 77 477 450 HOH HOH O . +QJ 41 HOH 78 478 53 HOH HOH O . +QJ 41 HOH 79 479 437 HOH HOH O . +QJ 41 HOH 80 480 456 HOH HOH O . +QJ 41 HOH 81 481 447 HOH HOH O . +QJ 41 HOH 82 482 463 HOH HOH O . +QJ 41 HOH 83 483 452 HOH HOH O . +QJ 41 HOH 84 484 462 HOH HOH O . +QJ 41 HOH 85 485 464 HOH HOH O . +QJ 41 HOH 86 486 279 HOH HOH O . +QJ 41 HOH 87 487 148 HOH HOH O . +QJ 41 HOH 88 488 147 HOH HOH O . +QJ 41 HOH 89 489 610 HOH HOH O . +QJ 41 HOH 90 490 207 HOH HOH O . +QJ 41 HOH 91 491 237 HOH HOH O . +QJ 41 HOH 92 492 469 HOH HOH O . +QJ 41 HOH 93 493 461 HOH HOH O . +QJ 41 HOH 94 494 81 HOH HOH O . +QJ 41 HOH 95 495 422 HOH HOH O . +QJ 41 HOH 96 496 468 HOH HOH O . +QJ 41 HOH 97 497 10 HOH HOH O . +QJ 41 HOH 98 498 614 HOH HOH O . +QJ 41 HOH 99 499 616 HOH HOH O . +QJ 41 HOH 100 500 466 HOH HOH O . +QJ 41 HOH 101 501 470 HOH HOH O . +QJ 41 HOH 102 502 471 HOH HOH O . +QJ 41 HOH 103 503 160 HOH HOH O . +QJ 41 HOH 104 504 465 HOH HOH O . +RJ 41 HOH 1 201 201 HOH HOH T . +RJ 41 HOH 2 202 205 HOH HOH T . +RJ 41 HOH 3 203 204 HOH HOH T . +RJ 41 HOH 4 204 59 HOH HOH T . +RJ 41 HOH 5 205 32 HOH HOH T . +RJ 41 HOH 6 206 93 HOH HOH T . +RJ 41 HOH 7 207 203 HOH HOH T . +RJ 41 HOH 8 208 207 HOH HOH T . +RJ 41 HOH 9 209 171 HOH HOH T . +RJ 41 HOH 10 210 628 HOH HOH T . +RJ 41 HOH 11 211 209 HOH HOH T . +SJ 41 HOH 1 201 254 HOH HOH U . +SJ 41 HOH 2 202 212 HOH HOH U . +SJ 41 HOH 3 203 3 HOH HOH U . +SJ 41 HOH 4 204 85 HOH HOH U . +SJ 41 HOH 5 205 361 HOH HOH U . +SJ 41 HOH 6 206 202 HOH HOH U . +SJ 41 HOH 7 207 201 HOH HOH U . +SJ 41 HOH 8 208 207 HOH HOH U . +SJ 41 HOH 9 209 229 HOH HOH U . +SJ 41 HOH 10 210 7 HOH HOH U . +SJ 41 HOH 11 211 205 HOH HOH U . +SJ 41 HOH 12 212 209 HOH HOH U . +SJ 41 HOH 13 213 668 HOH HOH U . +SJ 41 HOH 14 214 178 HOH HOH U . +SJ 41 HOH 15 215 123 HOH HOH U . +SJ 41 HOH 16 216 206 HOH HOH U . +SJ 41 HOH 17 217 204 HOH HOH U . +SJ 41 HOH 18 218 217 HOH HOH U . +SJ 41 HOH 19 219 130 HOH HOH U . +SJ 41 HOH 20 220 210 HOH HOH U . +SJ 41 HOH 21 221 218 HOH HOH U . +SJ 41 HOH 22 222 208 HOH HOH U . +SJ 41 HOH 23 223 100 HOH HOH U . +SJ 41 HOH 24 224 335 HOH HOH U . +SJ 41 HOH 25 225 224 HOH HOH U . +SJ 41 HOH 26 226 227 HOH HOH U . +SJ 41 HOH 27 227 214 HOH HOH U . +SJ 41 HOH 28 228 155 HOH HOH U . +SJ 41 HOH 29 229 142 HOH HOH U . +SJ 41 HOH 30 230 222 HOH HOH U . +SJ 41 HOH 31 231 215 HOH HOH U . +SJ 41 HOH 32 232 141 HOH HOH U . +SJ 41 HOH 33 233 213 HOH HOH U . +SJ 41 HOH 34 234 230 HOH HOH U . +SJ 41 HOH 35 235 216 HOH HOH U . +SJ 41 HOH 36 236 89 HOH HOH U . +SJ 41 HOH 37 237 221 HOH HOH U . +SJ 41 HOH 38 238 220 HOH HOH U . +SJ 41 HOH 39 239 225 HOH HOH U . +SJ 41 HOH 40 240 226 HOH HOH U . +SJ 41 HOH 41 241 223 HOH HOH U . +SJ 41 HOH 42 242 219 HOH HOH U . +SJ 41 HOH 43 243 227 HOH HOH U . +SJ 41 HOH 44 244 228 HOH HOH U . +SJ 41 HOH 45 245 203 HOH HOH U . +SJ 41 HOH 46 246 54 HOH HOH U . +SJ 41 HOH 47 247 232 HOH HOH U . +TJ 41 HOH 1 301 310 HOH HOH V . +TJ 41 HOH 2 302 12 HOH HOH V . +TJ 41 HOH 3 303 320 HOH HOH V . +TJ 41 HOH 4 304 303 HOH HOH V . +TJ 41 HOH 5 305 203 HOH HOH V . +TJ 41 HOH 6 306 94 HOH HOH V . +TJ 41 HOH 7 307 302 HOH HOH V . +TJ 41 HOH 8 308 329 HOH HOH V . +TJ 41 HOH 9 309 328 HOH HOH V . +TJ 41 HOH 10 310 326 HOH HOH V . +TJ 41 HOH 11 311 331 HOH HOH V . +TJ 41 HOH 12 312 312 HOH HOH V . +TJ 41 HOH 13 313 261 HOH HOH V . +TJ 41 HOH 14 314 50 HOH HOH V . +TJ 41 HOH 15 315 314 HOH HOH V . +TJ 41 HOH 16 316 187 HOH HOH V . +TJ 41 HOH 17 317 307 HOH HOH V . +TJ 41 HOH 18 318 304 HOH HOH V . +TJ 41 HOH 19 319 327 HOH HOH V . +TJ 41 HOH 20 320 116 HOH HOH V . +TJ 41 HOH 21 321 308 HOH HOH V . +TJ 41 HOH 22 322 321 HOH HOH V . +TJ 41 HOH 23 323 315 HOH HOH V . +TJ 41 HOH 24 324 316 HOH HOH V . +TJ 41 HOH 25 325 323 HOH HOH V . +TJ 41 HOH 26 326 354 HOH HOH V . +TJ 41 HOH 27 327 317 HOH HOH V . +TJ 41 HOH 28 328 330 HOH HOH V . +TJ 41 HOH 29 329 41 HOH HOH V . +TJ 41 HOH 30 330 58 HOH HOH V . +TJ 41 HOH 31 331 332 HOH HOH V . +TJ 41 HOH 32 332 340 HOH HOH V . +TJ 41 HOH 33 333 309 HOH HOH V . +TJ 41 HOH 34 334 325 HOH HOH V . +TJ 41 HOH 35 335 311 HOH HOH V . +TJ 41 HOH 36 336 348 HOH HOH V . +TJ 41 HOH 37 337 318 HOH HOH V . +TJ 41 HOH 38 338 336 HOH HOH V . +TJ 41 HOH 39 339 189 HOH HOH V . +TJ 41 HOH 40 340 322 HOH HOH V . +TJ 41 HOH 41 341 350 HOH HOH V . +TJ 41 HOH 42 342 346 HOH HOH V . +TJ 41 HOH 43 343 180 HOH HOH V . +TJ 41 HOH 44 344 262 HOH HOH V . +TJ 41 HOH 45 345 306 HOH HOH V . +TJ 41 HOH 46 346 337 HOH HOH V . +TJ 41 HOH 47 347 341 HOH HOH V . +TJ 41 HOH 48 348 339 HOH HOH V . +TJ 41 HOH 49 349 324 HOH HOH V . +TJ 41 HOH 50 350 338 HOH HOH V . +TJ 41 HOH 51 351 343 HOH HOH V . +TJ 41 HOH 52 352 49 HOH HOH V . +TJ 41 HOH 53 353 342 HOH HOH V . +TJ 41 HOH 54 354 61 HOH HOH V . +TJ 41 HOH 55 355 55 HOH HOH V . +TJ 41 HOH 56 356 313 HOH HOH V . +TJ 41 HOH 57 357 360 HOH HOH V . +TJ 41 HOH 58 358 333 HOH HOH V . +TJ 41 HOH 59 359 362 HOH HOH V . +TJ 41 HOH 60 360 357 HOH HOH V . +TJ 41 HOH 61 361 352 HOH HOH V . +TJ 41 HOH 62 362 319 HOH HOH V . +TJ 41 HOH 63 363 345 HOH HOH V . +TJ 41 HOH 64 364 353 HOH HOH V . +TJ 41 HOH 65 365 349 HOH HOH V . +TJ 41 HOH 66 366 358 HOH HOH V . +TJ 41 HOH 67 367 301 HOH HOH V . +TJ 41 HOH 68 368 97 HOH HOH V . +TJ 41 HOH 69 369 363 HOH HOH V . +TJ 41 HOH 70 370 359 HOH HOH V . +TJ 41 HOH 71 371 364 HOH HOH V . +TJ 41 HOH 72 372 132 HOH HOH V . +TJ 41 HOH 73 373 356 HOH HOH V . +TJ 41 HOH 74 374 263 HOH HOH V . +TJ 41 HOH 75 375 365 HOH HOH V . +TJ 41 HOH 76 376 366 HOH HOH V . +TJ 41 HOH 77 377 256 HOH HOH V . +TJ 41 HOH 78 378 367 HOH HOH V . +TJ 41 HOH 79 379 51 HOH HOH V . +UJ 41 HOH 1 201 530 HOH HOH X . +UJ 41 HOH 2 202 43 HOH HOH X . +UJ 41 HOH 3 203 14 HOH HOH X . +UJ 41 HOH 4 204 577 HOH HOH X . +UJ 41 HOH 5 205 201 HOH HOH X . +UJ 41 HOH 6 206 195 HOH HOH X . +UJ 41 HOH 7 207 196 HOH HOH X . +VJ 41 HOH 1 501 68 HOH HOH a . +VJ 41 HOH 2 502 632 HOH HOH a . +VJ 41 HOH 3 503 627 HOH HOH a . +VJ 41 HOH 4 504 506 HOH HOH a . +VJ 41 HOH 5 505 502 HOH HOH a . +VJ 41 HOH 6 506 569 HOH HOH a . +VJ 41 HOH 7 507 535 HOH HOH a . +VJ 41 HOH 8 508 514 HOH HOH a . +VJ 41 HOH 9 509 539 HOH HOH a . +VJ 41 HOH 10 510 512 HOH HOH a . +VJ 41 HOH 11 511 532 HOH HOH a . +VJ 41 HOH 12 512 504 HOH HOH a . +VJ 41 HOH 13 513 517 HOH HOH a . +VJ 41 HOH 14 514 209 HOH HOH a . +VJ 41 HOH 15 515 501 HOH HOH a . +VJ 41 HOH 16 516 515 HOH HOH a . +VJ 41 HOH 17 517 505 HOH HOH a . +VJ 41 HOH 18 518 511 HOH HOH a . +VJ 41 HOH 19 519 530 HOH HOH a . +VJ 41 HOH 20 520 534 HOH HOH a . +VJ 41 HOH 21 521 550 HOH HOH a . +VJ 41 HOH 22 522 552 HOH HOH a . +VJ 41 HOH 23 523 509 HOH HOH a . +VJ 41 HOH 24 524 513 HOH HOH a . +VJ 41 HOH 25 525 526 HOH HOH a . +VJ 41 HOH 26 526 521 HOH HOH a . +VJ 41 HOH 27 527 570 HOH HOH a . +VJ 41 HOH 28 528 568 HOH HOH a . +VJ 41 HOH 29 529 553 HOH HOH a . +VJ 41 HOH 30 530 542 HOH HOH a . +VJ 41 HOH 31 531 584 HOH HOH a . +VJ 41 HOH 32 532 511 HOH HOH a . +VJ 41 HOH 33 533 529 HOH HOH a . +VJ 41 HOH 34 534 557 HOH HOH a . +VJ 41 HOH 35 535 518 HOH HOH a . +VJ 41 HOH 36 536 543 HOH HOH a . +VJ 41 HOH 37 537 577 HOH HOH a . +VJ 41 HOH 38 538 523 HOH HOH a . +VJ 41 HOH 39 539 536 HOH HOH a . +VJ 41 HOH 40 540 525 HOH HOH a . +VJ 41 HOH 41 541 555 HOH HOH a . +VJ 41 HOH 42 542 548 HOH HOH a . +VJ 41 HOH 43 543 544 HOH HOH a . +VJ 41 HOH 44 544 519 HOH HOH a . +VJ 41 HOH 45 545 210 HOH HOH a . +VJ 41 HOH 46 546 503 HOH HOH a . +VJ 41 HOH 47 547 507 HOH HOH a . +VJ 41 HOH 48 548 546 HOH HOH a . +VJ 41 HOH 49 549 626 HOH HOH a . +VJ 41 HOH 50 550 528 HOH HOH a . +VJ 41 HOH 51 551 508 HOH HOH a . +VJ 41 HOH 52 552 540 HOH HOH a . +VJ 41 HOH 53 553 524 HOH HOH a . +VJ 41 HOH 54 554 613 HOH HOH a . +VJ 41 HOH 55 555 583 HOH HOH a . +VJ 41 HOH 56 556 549 HOH HOH a . +VJ 41 HOH 57 557 527 HOH HOH a . +VJ 41 HOH 58 558 666 HOH HOH a . +VJ 41 HOH 59 559 531 HOH HOH a . +VJ 41 HOH 60 560 560 HOH HOH a . +VJ 41 HOH 61 561 558 HOH HOH a . +VJ 41 HOH 62 562 566 HOH HOH a . +VJ 41 HOH 63 563 571 HOH HOH a . +VJ 41 HOH 64 564 562 HOH HOH a . +VJ 41 HOH 65 565 588 HOH HOH a . +VJ 41 HOH 66 566 573 HOH HOH a . +VJ 41 HOH 67 567 537 HOH HOH a . +VJ 41 HOH 68 568 601 HOH HOH a . +VJ 41 HOH 69 569 590 HOH HOH a . +VJ 41 HOH 70 570 545 HOH HOH a . +VJ 41 HOH 71 571 151 HOH HOH a . +VJ 41 HOH 72 572 522 HOH HOH a . +VJ 41 HOH 73 573 567 HOH HOH a . +VJ 41 HOH 74 574 551 HOH HOH a . +VJ 41 HOH 75 575 602 HOH HOH a . +VJ 41 HOH 76 576 510 HOH HOH a . +VJ 41 HOH 77 577 610 HOH HOH a . +VJ 41 HOH 78 578 605 HOH HOH a . +VJ 41 HOH 79 579 598 HOH HOH a . +VJ 41 HOH 80 580 604 HOH HOH a . +VJ 41 HOH 81 581 574 HOH HOH a . +VJ 41 HOH 82 582 578 HOH HOH a . +VJ 41 HOH 83 583 592 HOH HOH a . +VJ 41 HOH 84 584 576 HOH HOH a . +VJ 41 HOH 85 585 585 HOH HOH a . +VJ 41 HOH 86 586 623 HOH HOH a . +VJ 41 HOH 87 587 572 HOH HOH a . +VJ 41 HOH 88 588 611 HOH HOH a . +VJ 41 HOH 89 589 203 HOH HOH a . +VJ 41 HOH 90 590 580 HOH HOH a . +VJ 41 HOH 91 591 60 HOH HOH a . +VJ 41 HOH 92 592 692 HOH HOH a . +VJ 41 HOH 93 593 556 HOH HOH a . +VJ 41 HOH 94 594 616 HOH HOH a . +VJ 41 HOH 95 595 244 HOH HOH a . +VJ 41 HOH 96 596 128 HOH HOH a . +VJ 41 HOH 97 597 565 HOH HOH a . +VJ 41 HOH 98 598 600 HOH HOH a . +VJ 41 HOH 99 599 593 HOH HOH a . +VJ 41 HOH 100 600 591 HOH HOH a . +VJ 41 HOH 101 601 554 HOH HOH a . +VJ 41 HOH 102 602 607 HOH HOH a . +VJ 41 HOH 103 603 595 HOH HOH a . +VJ 41 HOH 104 604 620 HOH HOH a . +VJ 41 HOH 105 605 621 HOH HOH a . +VJ 41 HOH 106 606 603 HOH HOH a . +VJ 41 HOH 107 607 596 HOH HOH a . +VJ 41 HOH 108 608 608 HOH HOH a . +VJ 41 HOH 109 609 547 HOH HOH a . +VJ 41 HOH 110 610 563 HOH HOH a . +VJ 41 HOH 111 611 579 HOH HOH a . +VJ 41 HOH 112 612 614 HOH HOH a . +VJ 41 HOH 113 613 599 HOH HOH a . +VJ 41 HOH 114 614 561 HOH HOH a . +VJ 41 HOH 115 615 589 HOH HOH a . +VJ 41 HOH 116 616 175 HOH HOH a . +VJ 41 HOH 117 617 594 HOH HOH a . +VJ 41 HOH 118 618 42 HOH HOH a . +VJ 41 HOH 119 619 606 HOH HOH a . +VJ 41 HOH 120 620 609 HOH HOH a . +VJ 41 HOH 121 621 624 HOH HOH a . +VJ 41 HOH 122 622 615 HOH HOH a . +VJ 41 HOH 123 623 618 HOH HOH a . +VJ 41 HOH 124 624 628 HOH HOH a . +VJ 41 HOH 125 625 617 HOH HOH a . +VJ 41 HOH 126 626 625 HOH HOH a . +VJ 41 HOH 127 627 629 HOH HOH a . +VJ 41 HOH 128 628 206 HOH HOH a . +VJ 41 HOH 129 629 630 HOH HOH a . +VJ 41 HOH 130 630 346 HOH HOH a . +VJ 41 HOH 131 631 633 HOH HOH a . +WJ 41 HOH 1 701 819 HOH HOH b . +WJ 41 HOH 2 702 248 HOH HOH b . +WJ 41 HOH 3 703 719 HOH HOH b . +WJ 41 HOH 4 704 703 HOH HOH b . +WJ 41 HOH 5 705 713 HOH HOH b . +WJ 41 HOH 6 706 718 HOH HOH b . +WJ 41 HOH 7 707 707 HOH HOH b . +WJ 41 HOH 8 708 706 HOH HOH b . +WJ 41 HOH 9 709 203 HOH HOH b . +WJ 41 HOH 10 710 753 HOH HOH b . +WJ 41 HOH 11 711 729 HOH HOH b . +WJ 41 HOH 12 712 743 HOH HOH b . +WJ 41 HOH 13 713 791 HOH HOH b . +WJ 41 HOH 14 714 711 HOH HOH b . +WJ 41 HOH 15 715 710 HOH HOH b . +WJ 41 HOH 16 716 758 HOH HOH b . +WJ 41 HOH 17 717 721 HOH HOH b . +WJ 41 HOH 18 718 704 HOH HOH b . +WJ 41 HOH 19 719 738 HOH HOH b . +WJ 41 HOH 20 720 231 HOH HOH b . +WJ 41 HOH 21 721 774 HOH HOH b . +WJ 41 HOH 22 722 720 HOH HOH b . +WJ 41 HOH 23 723 728 HOH HOH b . +WJ 41 HOH 24 724 705 HOH HOH b . +WJ 41 HOH 25 725 731 HOH HOH b . +WJ 41 HOH 26 726 712 HOH HOH b . +WJ 41 HOH 27 727 715 HOH HOH b . +WJ 41 HOH 28 728 722 HOH HOH b . +WJ 41 HOH 29 729 742 HOH HOH b . +WJ 41 HOH 30 730 588 HOH HOH b . +WJ 41 HOH 31 731 790 HOH HOH b . +WJ 41 HOH 32 732 732 HOH HOH b . +WJ 41 HOH 33 733 735 HOH HOH b . +WJ 41 HOH 34 734 714 HOH HOH b . +WJ 41 HOH 35 735 750 HOH HOH b . +WJ 41 HOH 36 736 723 HOH HOH b . +WJ 41 HOH 37 737 745 HOH HOH b . +WJ 41 HOH 38 738 778 HOH HOH b . +WJ 41 HOH 39 739 751 HOH HOH b . +WJ 41 HOH 40 740 238 HOH HOH b . +WJ 41 HOH 41 741 733 HOH HOH b . +WJ 41 HOH 42 742 79 HOH HOH b . +WJ 41 HOH 43 743 755 HOH HOH b . +WJ 41 HOH 44 744 761 HOH HOH b . +WJ 41 HOH 45 745 874 HOH HOH b . +WJ 41 HOH 46 746 757 HOH HOH b . +WJ 41 HOH 47 747 747 HOH HOH b . +WJ 41 HOH 48 748 752 HOH HOH b . +WJ 41 HOH 49 749 787 HOH HOH b . +WJ 41 HOH 50 750 737 HOH HOH b . +WJ 41 HOH 51 751 792 HOH HOH b . +WJ 41 HOH 52 752 709 HOH HOH b . +WJ 41 HOH 53 753 744 HOH HOH b . +WJ 41 HOH 54 754 716 HOH HOH b . +WJ 41 HOH 55 755 756 HOH HOH b . +WJ 41 HOH 56 756 767 HOH HOH b . +WJ 41 HOH 57 757 749 HOH HOH b . +WJ 41 HOH 58 758 736 HOH HOH b . +WJ 41 HOH 59 759 793 HOH HOH b . +WJ 41 HOH 60 760 765 HOH HOH b . +WJ 41 HOH 61 761 815 HOH HOH b . +WJ 41 HOH 62 762 724 HOH HOH b . +WJ 41 HOH 63 763 739 HOH HOH b . +WJ 41 HOH 64 764 766 HOH HOH b . +WJ 41 HOH 65 765 852 HOH HOH b . +WJ 41 HOH 66 766 764 HOH HOH b . +WJ 41 HOH 67 767 748 HOH HOH b . +WJ 41 HOH 68 768 199 HOH HOH b . +WJ 41 HOH 69 769 886 HOH HOH b . +WJ 41 HOH 70 770 725 HOH HOH b . +WJ 41 HOH 71 771 813 HOH HOH b . +WJ 41 HOH 72 772 800 HOH HOH b . +WJ 41 HOH 73 773 788 HOH HOH b . +WJ 41 HOH 74 774 856 HOH HOH b . +WJ 41 HOH 75 775 741 HOH HOH b . +WJ 41 HOH 76 776 776 HOH HOH b . +WJ 41 HOH 77 777 740 HOH HOH b . +WJ 41 HOH 78 778 810 HOH HOH b . +WJ 41 HOH 79 779 769 HOH HOH b . +WJ 41 HOH 80 780 782 HOH HOH b . +WJ 41 HOH 81 781 754 HOH HOH b . +WJ 41 HOH 82 782 814 HOH HOH b . +WJ 41 HOH 83 783 798 HOH HOH b . +WJ 41 HOH 84 784 820 HOH HOH b . +WJ 41 HOH 85 785 842 HOH HOH b . +WJ 41 HOH 86 786 775 HOH HOH b . +WJ 41 HOH 87 787 218 HOH HOH b . +WJ 41 HOH 88 788 811 HOH HOH b . +WJ 41 HOH 89 789 768 HOH HOH b . +WJ 41 HOH 90 790 730 HOH HOH b . +WJ 41 HOH 91 791 762 HOH HOH b . +WJ 41 HOH 92 792 812 HOH HOH b . +WJ 41 HOH 93 793 779 HOH HOH b . +WJ 41 HOH 94 794 801 HOH HOH b . +WJ 41 HOH 95 795 803 HOH HOH b . +WJ 41 HOH 96 796 789 HOH HOH b . +WJ 41 HOH 97 797 841 HOH HOH b . +WJ 41 HOH 98 798 796 HOH HOH b . +WJ 41 HOH 99 799 215 HOH HOH b . +WJ 41 HOH 100 800 770 HOH HOH b . +WJ 41 HOH 101 801 807 HOH HOH b . +WJ 41 HOH 102 802 783 HOH HOH b . +WJ 41 HOH 103 803 785 HOH HOH b . +WJ 41 HOH 104 804 771 HOH HOH b . +WJ 41 HOH 105 805 569 HOH HOH b . +WJ 41 HOH 106 806 826 HOH HOH b . +WJ 41 HOH 107 807 763 HOH HOH b . +WJ 41 HOH 108 808 780 HOH HOH b . +WJ 41 HOH 109 809 170 HOH HOH b . +WJ 41 HOH 110 810 717 HOH HOH b . +WJ 41 HOH 111 811 727 HOH HOH b . +WJ 41 HOH 112 812 816 HOH HOH b . +WJ 41 HOH 113 813 806 HOH HOH b . +WJ 41 HOH 114 814 835 HOH HOH b . +WJ 41 HOH 115 815 759 HOH HOH b . +WJ 41 HOH 116 816 30 HOH HOH b . +WJ 41 HOH 117 817 239 HOH HOH b . +WJ 41 HOH 118 818 802 HOH HOH b . +WJ 41 HOH 119 819 825 HOH HOH b . +WJ 41 HOH 120 820 794 HOH HOH b . +WJ 41 HOH 121 821 829 HOH HOH b . +WJ 41 HOH 122 822 76 HOH HOH b . +WJ 41 HOH 123 823 726 HOH HOH b . +WJ 41 HOH 124 824 821 HOH HOH b . +WJ 41 HOH 125 825 122 HOH HOH b . +WJ 41 HOH 126 826 795 HOH HOH b . +WJ 41 HOH 127 827 773 HOH HOH b . +WJ 41 HOH 128 828 860 HOH HOH b . +WJ 41 HOH 129 829 786 HOH HOH b . +WJ 41 HOH 130 830 817 HOH HOH b . +WJ 41 HOH 131 831 772 HOH HOH b . +WJ 41 HOH 132 832 822 HOH HOH b . +WJ 41 HOH 133 833 799 HOH HOH b . +WJ 41 HOH 134 834 851 HOH HOH b . +WJ 41 HOH 135 835 746 HOH HOH b . +WJ 41 HOH 136 836 809 HOH HOH b . +WJ 41 HOH 137 837 781 HOH HOH b . +WJ 41 HOH 138 838 855 HOH HOH b . +WJ 41 HOH 139 839 843 HOH HOH b . +WJ 41 HOH 140 840 830 HOH HOH b . +WJ 41 HOH 141 841 881 HOH HOH b . +WJ 41 HOH 142 842 824 HOH HOH b . +WJ 41 HOH 143 843 869 HOH HOH b . +WJ 41 HOH 144 844 850 HOH HOH b . +WJ 41 HOH 145 845 708 HOH HOH b . +WJ 41 HOH 146 846 845 HOH HOH b . +WJ 41 HOH 147 847 828 HOH HOH b . +WJ 41 HOH 148 848 804 HOH HOH b . +WJ 41 HOH 149 849 844 HOH HOH b . +WJ 41 HOH 150 850 264 HOH HOH b . +WJ 41 HOH 151 851 875 HOH HOH b . +WJ 41 HOH 152 852 836 HOH HOH b . +WJ 41 HOH 153 853 861 HOH HOH b . +WJ 41 HOH 154 854 832 HOH HOH b . +WJ 41 HOH 155 855 777 HOH HOH b . +WJ 41 HOH 156 856 36 HOH HOH b . +WJ 41 HOH 157 857 847 HOH HOH b . +WJ 41 HOH 158 858 833 HOH HOH b . +WJ 41 HOH 159 859 838 HOH HOH b . +WJ 41 HOH 160 860 784 HOH HOH b . +WJ 41 HOH 161 861 818 HOH HOH b . +WJ 41 HOH 162 862 839 HOH HOH b . +WJ 41 HOH 163 863 853 HOH HOH b . +WJ 41 HOH 164 864 837 HOH HOH b . +WJ 41 HOH 165 865 805 HOH HOH b . +WJ 41 HOH 166 866 862 HOH HOH b . +WJ 41 HOH 167 867 859 HOH HOH b . +WJ 41 HOH 168 868 471 HOH HOH b . +WJ 41 HOH 169 869 233 HOH HOH b . +WJ 41 HOH 170 870 831 HOH HOH b . +WJ 41 HOH 171 871 849 HOH HOH b . +WJ 41 HOH 172 872 863 HOH HOH b . +WJ 41 HOH 173 873 846 HOH HOH b . +WJ 41 HOH 174 874 808 HOH HOH b . +WJ 41 HOH 175 875 871 HOH HOH b . +WJ 41 HOH 176 876 734 HOH HOH b . +WJ 41 HOH 177 877 864 HOH HOH b . +WJ 41 HOH 178 878 255 HOH HOH b . +WJ 41 HOH 179 879 878 HOH HOH b . +WJ 41 HOH 180 880 240 HOH HOH b . +WJ 41 HOH 181 881 46 HOH HOH b . +WJ 41 HOH 182 882 854 HOH HOH b . +WJ 41 HOH 183 883 834 HOH HOH b . +WJ 41 HOH 184 884 872 HOH HOH b . +WJ 41 HOH 185 885 877 HOH HOH b . +WJ 41 HOH 186 886 858 HOH HOH b . +WJ 41 HOH 187 887 867 HOH HOH b . +WJ 41 HOH 188 888 883 HOH HOH b . +WJ 41 HOH 189 889 857 HOH HOH b . +WJ 41 HOH 190 890 887 HOH HOH b . +WJ 41 HOH 191 891 884 HOH HOH b . +WJ 41 HOH 192 892 865 HOH HOH b . +WJ 41 HOH 193 893 876 HOH HOH b . +WJ 41 HOH 194 894 891 HOH HOH b . +WJ 41 HOH 195 895 797 HOH HOH b . +WJ 41 HOH 196 896 866 HOH HOH b . +WJ 41 HOH 197 897 889 HOH HOH b . +WJ 41 HOH 198 898 879 HOH HOH b . +WJ 41 HOH 199 899 892 HOH HOH b . +WJ 41 HOH 200 900 888 HOH HOH b . +WJ 41 HOH 201 901 215 HOH HOH b . +XJ 41 HOH 1 601 204 HOH HOH c . +XJ 41 HOH 2 602 270 HOH HOH c . +XJ 41 HOH 3 603 603 HOH HOH c . +XJ 41 HOH 4 604 610 HOH HOH c . +XJ 41 HOH 5 605 628 HOH HOH c . +XJ 41 HOH 6 606 653 HOH HOH c . +XJ 41 HOH 7 607 252 HOH HOH c . +XJ 41 HOH 8 608 604 HOH HOH c . +XJ 41 HOH 9 609 608 HOH HOH c . +XJ 41 HOH 10 610 618 HOH HOH c . +XJ 41 HOH 11 611 225 HOH HOH c . +XJ 41 HOH 12 612 651 HOH HOH c . +XJ 41 HOH 13 613 622 HOH HOH c . +XJ 41 HOH 14 614 648 HOH HOH c . +XJ 41 HOH 15 615 656 HOH HOH c . +XJ 41 HOH 16 616 609 HOH HOH c . +XJ 41 HOH 17 617 612 HOH HOH c . +XJ 41 HOH 18 618 643 HOH HOH c . +XJ 41 HOH 19 619 633 HOH HOH c . +XJ 41 HOH 20 620 269 HOH HOH c . +XJ 41 HOH 21 621 202 HOH HOH c . +XJ 41 HOH 22 622 659 HOH HOH c . +XJ 41 HOH 23 623 234 HOH HOH c . +XJ 41 HOH 24 624 630 HOH HOH c . +XJ 41 HOH 25 625 650 HOH HOH c . +XJ 41 HOH 26 626 631 HOH HOH c . +XJ 41 HOH 27 627 719 HOH HOH c . +XJ 41 HOH 28 628 634 HOH HOH c . +XJ 41 HOH 29 629 680 HOH HOH c . +XJ 41 HOH 30 630 644 HOH HOH c . +XJ 41 HOH 31 631 607 HOH HOH c . +XJ 41 HOH 32 632 637 HOH HOH c . +XJ 41 HOH 33 633 629 HOH HOH c . +XJ 41 HOH 34 634 678 HOH HOH c . +XJ 41 HOH 35 635 652 HOH HOH c . +XJ 41 HOH 36 636 427 HOH HOH c . +XJ 41 HOH 37 637 669 HOH HOH c . +XJ 41 HOH 38 638 621 HOH HOH c . +XJ 41 HOH 39 639 662 HOH HOH c . +XJ 41 HOH 40 640 11 HOH HOH c . +XJ 41 HOH 41 641 194 HOH HOH c . +XJ 41 HOH 42 642 638 HOH HOH c . +XJ 41 HOH 43 643 693 HOH HOH c . +XJ 41 HOH 44 644 676 HOH HOH c . +XJ 41 HOH 45 645 626 HOH HOH c . +XJ 41 HOH 46 646 611 HOH HOH c . +XJ 41 HOH 47 647 31 HOH HOH c . +XJ 41 HOH 48 648 660 HOH HOH c . +XJ 41 HOH 49 649 635 HOH HOH c . +XJ 41 HOH 50 650 615 HOH HOH c . +XJ 41 HOH 51 651 664 HOH HOH c . +XJ 41 HOH 52 652 708 HOH HOH c . +XJ 41 HOH 53 653 639 HOH HOH c . +XJ 41 HOH 54 654 617 HOH HOH c . +XJ 41 HOH 55 655 657 HOH HOH c . +XJ 41 HOH 56 656 108 HOH HOH c . +XJ 41 HOH 57 657 625 HOH HOH c . +XJ 41 HOH 58 658 614 HOH HOH c . +XJ 41 HOH 59 659 673 HOH HOH c . +XJ 41 HOH 60 660 613 HOH HOH c . +XJ 41 HOH 61 661 619 HOH HOH c . +XJ 41 HOH 62 662 684 HOH HOH c . +XJ 41 HOH 63 663 655 HOH HOH c . +XJ 41 HOH 64 664 201 HOH HOH c . +XJ 41 HOH 65 665 690 HOH HOH c . +XJ 41 HOH 66 666 670 HOH HOH c . +XJ 41 HOH 67 667 658 HOH HOH c . +XJ 41 HOH 68 668 146 HOH HOH c . +XJ 41 HOH 69 669 704 HOH HOH c . +XJ 41 HOH 70 670 671 HOH HOH c . +XJ 41 HOH 71 671 654 HOH HOH c . +XJ 41 HOH 72 672 682 HOH HOH c . +XJ 41 HOH 73 673 675 HOH HOH c . +XJ 41 HOH 74 674 699 HOH HOH c . +XJ 41 HOH 75 675 702 HOH HOH c . +XJ 41 HOH 76 676 663 HOH HOH c . +XJ 41 HOH 77 677 724 HOH HOH c . +XJ 41 HOH 78 678 632 HOH HOH c . +XJ 41 HOH 79 679 712 HOH HOH c . +XJ 41 HOH 80 680 645 HOH HOH c . +XJ 41 HOH 81 681 687 HOH HOH c . +XJ 41 HOH 82 682 640 HOH HOH c . +XJ 41 HOH 83 683 649 HOH HOH c . +XJ 41 HOH 84 684 647 HOH HOH c . +XJ 41 HOH 85 685 696 HOH HOH c . +XJ 41 HOH 86 686 689 HOH HOH c . +XJ 41 HOH 87 687 681 HOH HOH c . +XJ 41 HOH 88 688 636 HOH HOH c . +XJ 41 HOH 89 689 694 HOH HOH c . +XJ 41 HOH 90 690 691 HOH HOH c . +XJ 41 HOH 91 691 164 HOH HOH c . +XJ 41 HOH 92 692 688 HOH HOH c . +XJ 41 HOH 93 693 697 HOH HOH c . +XJ 41 HOH 94 694 672 HOH HOH c . +XJ 41 HOH 95 695 344 HOH HOH c . +XJ 41 HOH 96 696 674 HOH HOH c . +XJ 41 HOH 97 697 685 HOH HOH c . +XJ 41 HOH 98 698 686 HOH HOH c . +XJ 41 HOH 99 699 661 HOH HOH c . +XJ 41 HOH 100 700 683 HOH HOH c . +XJ 41 HOH 101 701 677 HOH HOH c . +XJ 41 HOH 102 702 711 HOH HOH c . +XJ 41 HOH 103 703 582 HOH HOH c . +XJ 41 HOH 104 704 706 HOH HOH c . +XJ 41 HOH 105 705 624 HOH HOH c . +XJ 41 HOH 106 706 716 HOH HOH c . +XJ 41 HOH 107 707 606 HOH HOH c . +XJ 41 HOH 108 708 714 HOH HOH c . +XJ 41 HOH 109 709 703 HOH HOH c . +XJ 41 HOH 110 710 705 HOH HOH c . +XJ 41 HOH 111 711 134 HOH HOH c . +XJ 41 HOH 112 712 623 HOH HOH c . +XJ 41 HOH 113 713 642 HOH HOH c . +XJ 41 HOH 114 714 723 HOH HOH c . +XJ 41 HOH 115 715 601 HOH HOH c . +XJ 41 HOH 116 716 698 HOH HOH c . +XJ 41 HOH 117 717 726 HOH HOH c . +XJ 41 HOH 118 718 665 HOH HOH c . +XJ 41 HOH 119 719 641 HOH HOH c . +XJ 41 HOH 120 720 176 HOH HOH c . +XJ 41 HOH 121 721 136 HOH HOH c . +XJ 41 HOH 122 722 730 HOH HOH c . +XJ 41 HOH 123 723 713 HOH HOH c . +XJ 41 HOH 124 724 722 HOH HOH c . +XJ 41 HOH 125 725 715 HOH HOH c . +XJ 41 HOH 126 726 700 HOH HOH c . +XJ 41 HOH 127 727 720 HOH HOH c . +XJ 41 HOH 128 728 734 HOH HOH c . +XJ 41 HOH 129 729 709 HOH HOH c . +XJ 41 HOH 130 730 710 HOH HOH c . +XJ 41 HOH 131 731 736 HOH HOH c . +XJ 41 HOH 132 732 727 HOH HOH c . +XJ 41 HOH 133 733 250 HOH HOH c . +XJ 41 HOH 134 734 721 HOH HOH c . +XJ 41 HOH 135 735 101 HOH HOH c . +XJ 41 HOH 136 736 729 HOH HOH c . +XJ 41 HOH 137 737 728 HOH HOH c . +XJ 41 HOH 138 738 707 HOH HOH c . +XJ 41 HOH 139 739 190 HOH HOH c . +XJ 41 HOH 140 740 695 HOH HOH c . +XJ 41 HOH 141 741 718 HOH HOH c . +XJ 41 HOH 142 742 113 HOH HOH c . +XJ 41 HOH 143 743 701 HOH HOH c . +XJ 41 HOH 144 744 646 HOH HOH c . +XJ 41 HOH 145 745 731 HOH HOH c . +XJ 41 HOH 146 746 582 HOH HOH c . +XJ 41 HOH 147 747 737 HOH HOH c . +XJ 41 HOH 148 748 717 HOH HOH c . +XJ 41 HOH 149 749 154 HOH HOH c . +XJ 41 HOH 150 750 143 HOH HOH c . +XJ 41 HOH 151 751 733 HOH HOH c . +XJ 41 HOH 152 752 735 HOH HOH c . +XJ 41 HOH 153 753 739 HOH HOH c . +XJ 41 HOH 154 754 87 HOH HOH c . +XJ 41 HOH 155 755 725 HOH HOH c . +XJ 41 HOH 156 756 631 HOH HOH c . +XJ 41 HOH 157 757 738 HOH HOH c . +XJ 41 HOH 158 758 740 HOH HOH c . +XJ 41 HOH 159 759 609 HOH HOH c . +XJ 41 HOH 160 760 741 HOH HOH c . +YJ 41 HOH 1 501 503 HOH HOH d . +YJ 41 HOH 2 502 88 HOH HOH d . +YJ 41 HOH 3 503 504 HOH HOH d . +YJ 41 HOH 4 504 515 HOH HOH d . +YJ 41 HOH 5 505 524 HOH HOH d . +YJ 41 HOH 6 506 512 HOH HOH d . +YJ 41 HOH 7 507 501 HOH HOH d . +YJ 41 HOH 8 508 508 HOH HOH d . +YJ 41 HOH 9 509 526 HOH HOH d . +YJ 41 HOH 10 510 516 HOH HOH d . +YJ 41 HOH 11 511 513 HOH HOH d . +YJ 41 HOH 12 512 320 HOH HOH d . +YJ 41 HOH 13 513 507 HOH HOH d . +YJ 41 HOH 14 514 517 HOH HOH d . +YJ 41 HOH 15 515 525 HOH HOH d . +YJ 41 HOH 16 516 519 HOH HOH d . +YJ 41 HOH 17 517 502 HOH HOH d . +YJ 41 HOH 18 518 258 HOH HOH d . +YJ 41 HOH 19 519 533 HOH HOH d . +YJ 41 HOH 20 520 529 HOH HOH d . +YJ 41 HOH 21 521 505 HOH HOH d . +YJ 41 HOH 22 522 506 HOH HOH d . +YJ 41 HOH 23 523 528 HOH HOH d . +YJ 41 HOH 24 524 530 HOH HOH d . +YJ 41 HOH 25 525 522 HOH HOH d . +YJ 41 HOH 26 526 539 HOH HOH d . +YJ 41 HOH 27 527 518 HOH HOH d . +YJ 41 HOH 28 528 571 HOH HOH d . +YJ 41 HOH 29 529 523 HOH HOH d . +YJ 41 HOH 30 530 510 HOH HOH d . +YJ 41 HOH 31 531 583 HOH HOH d . +YJ 41 HOH 32 532 509 HOH HOH d . +YJ 41 HOH 33 533 561 HOH HOH d . +YJ 41 HOH 34 534 537 HOH HOH d . +YJ 41 HOH 35 535 520 HOH HOH d . +YJ 41 HOH 36 536 562 HOH HOH d . +YJ 41 HOH 37 537 553 HOH HOH d . +YJ 41 HOH 38 538 544 HOH HOH d . +YJ 41 HOH 39 539 540 HOH HOH d . +YJ 41 HOH 40 540 521 HOH HOH d . +YJ 41 HOH 41 541 531 HOH HOH d . +YJ 41 HOH 42 542 559 HOH HOH d . +YJ 41 HOH 43 543 557 HOH HOH d . +YJ 41 HOH 44 544 573 HOH HOH d . +YJ 41 HOH 45 545 527 HOH HOH d . +YJ 41 HOH 46 546 514 HOH HOH d . +YJ 41 HOH 47 547 572 HOH HOH d . +YJ 41 HOH 48 548 516 HOH HOH d . +YJ 41 HOH 49 549 213 HOH HOH d . +YJ 41 HOH 50 550 137 HOH HOH d . +YJ 41 HOH 51 551 548 HOH HOH d . +YJ 41 HOH 52 552 546 HOH HOH d . +YJ 41 HOH 53 553 545 HOH HOH d . +YJ 41 HOH 54 554 549 HOH HOH d . +YJ 41 HOH 55 555 568 HOH HOH d . +YJ 41 HOH 56 556 565 HOH HOH d . +YJ 41 HOH 57 557 564 HOH HOH d . +YJ 41 HOH 58 558 590 HOH HOH d . +YJ 41 HOH 59 559 543 HOH HOH d . +YJ 41 HOH 60 560 587 HOH HOH d . +YJ 41 HOH 61 561 588 HOH HOH d . +YJ 41 HOH 62 562 558 HOH HOH d . +YJ 41 HOH 63 563 585 HOH HOH d . +YJ 41 HOH 64 564 444 HOH HOH d . +YJ 41 HOH 65 565 576 HOH HOH d . +YJ 41 HOH 66 566 555 HOH HOH d . +YJ 41 HOH 67 567 560 HOH HOH d . +YJ 41 HOH 68 568 165 HOH HOH d . +YJ 41 HOH 69 569 532 HOH HOH d . +YJ 41 HOH 70 570 542 HOH HOH d . +YJ 41 HOH 71 571 534 HOH HOH d . +YJ 41 HOH 72 572 535 HOH HOH d . +YJ 41 HOH 73 573 586 HOH HOH d . +YJ 41 HOH 74 574 556 HOH HOH d . +YJ 41 HOH 75 575 570 HOH HOH d . +YJ 41 HOH 76 576 547 HOH HOH d . +YJ 41 HOH 77 577 580 HOH HOH d . +YJ 41 HOH 78 578 584 HOH HOH d . +YJ 41 HOH 79 579 592 HOH HOH d . +YJ 41 HOH 80 580 563 HOH HOH d . +YJ 41 HOH 81 581 550 HOH HOH d . +YJ 41 HOH 82 582 581 HOH HOH d . +YJ 41 HOH 83 583 551 HOH HOH d . +YJ 41 HOH 84 584 605 HOH HOH d . +YJ 41 HOH 85 585 578 HOH HOH d . +YJ 41 HOH 86 586 579 HOH HOH d . +YJ 41 HOH 87 587 597 HOH HOH d . +YJ 41 HOH 88 588 612 HOH HOH d . +YJ 41 HOH 89 589 554 HOH HOH d . +YJ 41 HOH 90 590 566 HOH HOH d . +YJ 41 HOH 91 591 574 HOH HOH d . +YJ 41 HOH 92 592 552 HOH HOH d . +YJ 41 HOH 93 593 599 HOH HOH d . +YJ 41 HOH 94 594 596 HOH HOH d . +YJ 41 HOH 95 595 235 HOH HOH d . +YJ 41 HOH 96 596 601 HOH HOH d . +YJ 41 HOH 97 597 600 HOH HOH d . +YJ 41 HOH 98 598 595 HOH HOH d . +YJ 41 HOH 99 599 593 HOH HOH d . +YJ 41 HOH 100 600 591 HOH HOH d . +YJ 41 HOH 101 601 594 HOH HOH d . +YJ 41 HOH 102 602 208 HOH HOH d . +YJ 41 HOH 103 603 619 HOH HOH d . +YJ 41 HOH 104 604 589 HOH HOH d . +YJ 41 HOH 105 605 597 HOH HOH d . +YJ 41 HOH 106 606 602 HOH HOH d . +YJ 41 HOH 107 607 150 HOH HOH d . +YJ 41 HOH 108 608 607 HOH HOH d . +YJ 41 HOH 109 609 604 HOH HOH d . +YJ 41 HOH 110 610 598 HOH HOH d . +YJ 41 HOH 111 611 586 HOH HOH d . +YJ 41 HOH 112 612 275 HOH HOH d . +YJ 41 HOH 113 613 274 HOH HOH d . +YJ 41 HOH 114 614 880 HOH HOH d . +YJ 41 HOH 115 615 611 HOH HOH d . +YJ 41 HOH 116 616 613 HOH HOH d . +YJ 41 HOH 117 617 610 HOH HOH d . +ZJ 41 HOH 1 201 204 HOH HOH e . +ZJ 41 HOH 2 202 201 HOH HOH e . +ZJ 41 HOH 3 203 203 HOH HOH e . +ZJ 41 HOH 4 204 205 HOH HOH e . +ZJ 41 HOH 5 205 206 HOH HOH e . +ZJ 41 HOH 6 206 202 HOH HOH e . +ZJ 41 HOH 7 207 204 HOH HOH e . +ZJ 41 HOH 8 208 207 HOH HOH e . +AK 41 HOH 1 201 201 HOH HOH f . +AK 41 HOH 2 202 203 HOH HOH f . +AK 41 HOH 3 203 110 HOH HOH f . +BK 41 HOH 1 201 5 HOH HOH h . +BK 41 HOH 2 202 567 HOH HOH h . +BK 41 HOH 3 203 202 HOH HOH h . +BK 41 HOH 4 204 207 HOH HOH h . +BK 41 HOH 5 205 33 HOH HOH h . +BK 41 HOH 6 206 201 HOH HOH h . +BK 41 HOH 7 207 204 HOH HOH h . +BK 41 HOH 8 208 212 HOH HOH h . +BK 41 HOH 9 209 211 HOH HOH h . +BK 41 HOH 10 210 209 HOH HOH h . +BK 41 HOH 11 211 210 HOH HOH h . +BK 41 HOH 12 212 206 HOH HOH h . +BK 41 HOH 13 213 39 HOH HOH h . +BK 41 HOH 14 214 208 HOH HOH h . +BK 41 HOH 15 215 216 HOH HOH h . +BK 41 HOH 16 216 205 HOH HOH h . +BK 41 HOH 17 217 238 HOH HOH h . +CK 41 HOH 1 201 201 HOH HOH i . +CK 41 HOH 2 202 202 HOH HOH i . +DK 41 HOH 1 201 202 HOH HOH j . +EK 41 HOH 1 201 201 HOH HOH k . +EK 41 HOH 2 202 202 HOH HOH k . +EK 41 HOH 3 203 203 HOH HOH k . +FK 41 HOH 1 901 201 HOH HOH l . +FK 41 HOH 2 902 204 HOH HOH l . +FK 41 HOH 3 903 202 HOH HOH l . +FK 41 HOH 4 904 203 HOH HOH l . +FK 41 HOH 5 905 207 HOH HOH l . +FK 41 HOH 6 906 191 HOH HOH l . +FK 41 HOH 7 907 243 HOH HOH l . +FK 41 HOH 8 908 612 HOH HOH l . +GK 41 HOH 1 201 201 HOH HOH m . +GK 41 HOH 2 202 206 HOH HOH m . +GK 41 HOH 3 203 205 HOH HOH m . +GK 41 HOH 4 204 202 HOH HOH m . +GK 41 HOH 5 205 212 HOH HOH m . +GK 41 HOH 6 206 203 HOH HOH m . +GK 41 HOH 7 207 204 HOH HOH m . +GK 41 HOH 8 208 208 HOH HOH m . +GK 41 HOH 9 209 98 HOH HOH m . +GK 41 HOH 10 210 209 HOH HOH m . +GK 41 HOH 11 211 575 HOH HOH m . +GK 41 HOH 12 212 211 HOH HOH m . +GK 41 HOH 13 213 214 HOH HOH m . +HK 41 HOH 1 401 401 HOH HOH o . +HK 41 HOH 2 402 404 HOH HOH o . +HK 41 HOH 3 403 403 HOH HOH o . +HK 41 HOH 4 404 413 HOH HOH o . +HK 41 HOH 5 405 40 HOH HOH o . +HK 41 HOH 6 406 208 HOH HOH o . +HK 41 HOH 7 407 411 HOH HOH o . +HK 41 HOH 8 408 459 HOH HOH o . +HK 41 HOH 9 409 121 HOH HOH o . +HK 41 HOH 10 410 439 HOH HOH o . +HK 41 HOH 11 411 446 HOH HOH o . +HK 41 HOH 12 412 520 HOH HOH o . +HK 41 HOH 13 413 606 HOH HOH o . +HK 41 HOH 14 414 407 HOH HOH o . +HK 41 HOH 15 415 433 HOH HOH o . +HK 41 HOH 16 416 412 HOH HOH o . +HK 41 HOH 17 417 414 HOH HOH o . +HK 41 HOH 18 418 423 HOH HOH o . +HK 41 HOH 19 419 20 HOH HOH o . +HK 41 HOH 20 420 419 HOH HOH o . +HK 41 HOH 21 421 416 HOH HOH o . +HK 41 HOH 22 422 406 HOH HOH o . +HK 41 HOH 23 423 253 HOH HOH o . +HK 41 HOH 24 424 440 HOH HOH o . +HK 41 HOH 25 425 218 HOH HOH o . +HK 41 HOH 26 426 402 HOH HOH o . +HK 41 HOH 27 427 418 HOH HOH o . +HK 41 HOH 28 428 425 HOH HOH o . +HK 41 HOH 29 429 564 HOH HOH o . +HK 41 HOH 30 430 405 HOH HOH o . +HK 41 HOH 31 431 431 HOH HOH o . +HK 41 HOH 32 432 435 HOH HOH o . +HK 41 HOH 33 433 447 HOH HOH o . +HK 41 HOH 34 434 19 HOH HOH o . +HK 41 HOH 35 435 52 HOH HOH o . +HK 41 HOH 36 436 424 HOH HOH o . +HK 41 HOH 37 437 17 HOH HOH o . +HK 41 HOH 38 438 429 HOH HOH o . +HK 41 HOH 39 439 432 HOH HOH o . +HK 41 HOH 40 440 417 HOH HOH o . +HK 41 HOH 41 441 421 HOH HOH o . +HK 41 HOH 42 442 420 HOH HOH o . +HK 41 HOH 43 443 885 HOH HOH o . +HK 41 HOH 44 444 436 HOH HOH o . +HK 41 HOH 45 445 437 HOH HOH o . +HK 41 HOH 46 446 422 HOH HOH o . +HK 41 HOH 47 447 451 HOH HOH o . +HK 41 HOH 48 448 426 HOH HOH o . +HK 41 HOH 49 449 441 HOH HOH o . +HK 41 HOH 50 450 415 HOH HOH o . +HK 41 HOH 51 451 448 HOH HOH o . +HK 41 HOH 52 452 455 HOH HOH o . +HK 41 HOH 53 453 456 HOH HOH o . +HK 41 HOH 54 454 428 HOH HOH o . +HK 41 HOH 55 455 408 HOH HOH o . +HK 41 HOH 56 456 453 HOH HOH o . +HK 41 HOH 57 457 438 HOH HOH o . +HK 41 HOH 58 458 114 HOH HOH o . +HK 41 HOH 59 459 457 HOH HOH o . +HK 41 HOH 60 460 452 HOH HOH o . +HK 41 HOH 61 461 469 HOH HOH o . +HK 41 HOH 62 462 472 HOH HOH o . +HK 41 HOH 63 463 445 HOH HOH o . +HK 41 HOH 64 464 449 HOH HOH o . +HK 41 HOH 65 465 458 HOH HOH o . +HK 41 HOH 66 466 454 HOH HOH o . +HK 41 HOH 67 467 15 HOH HOH o . +HK 41 HOH 68 468 470 HOH HOH o . +HK 41 HOH 69 469 460 HOH HOH o . +HK 41 HOH 70 470 464 HOH HOH o . +HK 41 HOH 71 471 443 HOH HOH o . +HK 41 HOH 72 472 434 HOH HOH o . +HK 41 HOH 73 473 450 HOH HOH o . +HK 41 HOH 74 474 182 HOH HOH o . +HK 41 HOH 75 475 241 HOH HOH o . +HK 41 HOH 76 476 205 HOH HOH o . +HK 41 HOH 77 477 409 HOH HOH o . +HK 41 HOH 78 478 463 HOH HOH o . +HK 41 HOH 79 479 826 HOH HOH o . +HK 41 HOH 80 480 868 HOH HOH o . +HK 41 HOH 81 481 467 HOH HOH o . +HK 41 HOH 82 482 410 HOH HOH o . +HK 41 HOH 83 483 475 HOH HOH o . +HK 41 HOH 84 484 473 HOH HOH o . +HK 41 HOH 85 485 28 HOH HOH o . +HK 41 HOH 86 486 465 HOH HOH o . +HK 41 HOH 87 487 188 HOH HOH o . +HK 41 HOH 88 488 468 HOH HOH o . +HK 41 HOH 89 489 124 HOH HOH o . +HK 41 HOH 90 490 462 HOH HOH o . +HK 41 HOH 91 491 474 HOH HOH o . +HK 41 HOH 92 492 284 HOH HOH o . +HK 41 HOH 93 493 48 HOH HOH o . +HK 41 HOH 94 494 442 HOH HOH o . +HK 41 HOH 95 495 466 HOH HOH o . +HK 41 HOH 96 496 285 HOH HOH o . +HK 41 HOH 97 497 476 HOH HOH o . +HK 41 HOH 98 498 477 HOH HOH o . +HK 41 HOH 99 499 614 HOH HOH o . +IK 41 HOH 1 201 201 HOH HOH t . +IK 41 HOH 2 202 245 HOH HOH t . +IK 41 HOH 3 203 204 HOH HOH t . +IK 41 HOH 4 204 202 HOH HOH t . +IK 41 HOH 5 205 205 HOH HOH t . +IK 41 HOH 6 206 668 HOH HOH t . +IK 41 HOH 7 207 201 HOH HOH t . +IK 41 HOH 8 208 203 HOH HOH t . +JK 41 HOH 1 201 215 HOH HOH u . +JK 41 HOH 2 202 205 HOH HOH u . +JK 41 HOH 3 203 212 HOH HOH u . +JK 41 HOH 4 204 21 HOH HOH u . +JK 41 HOH 5 205 221 HOH HOH u . +JK 41 HOH 6 206 202 HOH HOH u . +JK 41 HOH 7 207 209 HOH HOH u . +JK 41 HOH 8 208 204 HOH HOH u . +JK 41 HOH 9 209 222 HOH HOH u . +JK 41 HOH 10 210 244 HOH HOH u . +JK 41 HOH 11 211 210 HOH HOH u . +JK 41 HOH 12 212 208 HOH HOH u . +JK 41 HOH 13 213 206 HOH HOH u . +JK 41 HOH 14 214 214 HOH HOH u . +JK 41 HOH 15 215 242 HOH HOH u . +JK 41 HOH 16 216 220 HOH HOH u . +JK 41 HOH 17 217 6 HOH HOH u . +JK 41 HOH 18 218 223 HOH HOH u . +JK 41 HOH 19 219 211 HOH HOH u . +JK 41 HOH 20 220 104 HOH HOH u . +JK 41 HOH 21 221 340 HOH HOH u . +JK 41 HOH 22 222 213 HOH HOH u . +JK 41 HOH 23 223 207 HOH HOH u . +JK 41 HOH 24 224 224 HOH HOH u . +JK 41 HOH 25 225 201 HOH HOH u . +JK 41 HOH 26 226 225 HOH HOH u . +JK 41 HOH 27 227 157 HOH HOH u . +JK 41 HOH 28 228 217 HOH HOH u . +JK 41 HOH 29 229 231 HOH HOH u . +JK 41 HOH 30 230 219 HOH HOH u . +JK 41 HOH 31 231 235 HOH HOH u . +JK 41 HOH 32 232 237 HOH HOH u . +JK 41 HOH 33 233 232 HOH HOH u . +JK 41 HOH 34 234 230 HOH HOH u . +JK 41 HOH 35 235 226 HOH HOH u . +JK 41 HOH 36 236 227 HOH HOH u . +JK 41 HOH 37 237 236 HOH HOH u . +JK 41 HOH 38 238 229 HOH HOH u . +JK 41 HOH 39 239 461 HOH HOH u . +JK 41 HOH 40 240 228 HOH HOH u . +JK 41 HOH 41 241 214 HOH HOH u . +JK 41 HOH 42 242 216 HOH HOH u . +JK 41 HOH 43 243 233 HOH HOH u . +JK 41 HOH 44 244 241 HOH HOH u . +JK 41 HOH 45 245 239 HOH HOH u . +JK 41 HOH 46 246 234 HOH HOH u . +JK 41 HOH 47 247 240 HOH HOH u . +JK 41 HOH 48 248 245 HOH HOH u . +JK 41 HOH 49 249 243 HOH HOH u . +JK 41 HOH 50 250 246 HOH HOH u . +JK 41 HOH 51 251 247 HOH HOH u . +KK 41 HOH 1 301 326 HOH HOH v . +KK 41 HOH 2 302 145 HOH HOH v . +KK 41 HOH 3 303 47 HOH HOH v . +KK 41 HOH 4 304 315 HOH HOH v . +KK 41 HOH 5 305 310 HOH HOH v . +KK 41 HOH 6 306 307 HOH HOH v . +KK 41 HOH 7 307 302 HOH HOH v . +KK 41 HOH 8 308 144 HOH HOH v . +KK 41 HOH 9 309 273 HOH HOH v . +KK 41 HOH 10 310 306 HOH HOH v . +KK 41 HOH 11 311 308 HOH HOH v . +KK 41 HOH 12 312 232 HOH HOH v . +KK 41 HOH 13 313 301 HOH HOH v . +KK 41 HOH 14 314 133 HOH HOH v . +KK 41 HOH 15 315 538 HOH HOH v . +KK 41 HOH 16 316 317 HOH HOH v . +KK 41 HOH 17 317 305 HOH HOH v . +KK 41 HOH 18 318 313 HOH HOH v . +KK 41 HOH 19 319 309 HOH HOH v . +KK 41 HOH 20 320 329 HOH HOH v . +KK 41 HOH 21 321 321 HOH HOH v . +KK 41 HOH 22 322 314 HOH HOH v . +KK 41 HOH 23 323 311 HOH HOH v . +KK 41 HOH 24 324 203 HOH HOH v . +KK 41 HOH 25 325 325 HOH HOH v . +KK 41 HOH 26 326 18 HOH HOH v . +KK 41 HOH 27 327 316 HOH HOH v . +KK 41 HOH 28 328 330 HOH HOH v . +KK 41 HOH 29 329 319 HOH HOH v . +KK 41 HOH 30 330 257 HOH HOH v . +KK 41 HOH 31 331 318 HOH HOH v . +KK 41 HOH 32 332 328 HOH HOH v . +KK 41 HOH 33 333 13 HOH HOH v . +KK 41 HOH 34 334 198 HOH HOH v . +KK 41 HOH 35 335 347 HOH HOH v . +KK 41 HOH 36 336 327 HOH HOH v . +KK 41 HOH 37 337 304 HOH HOH v . +KK 41 HOH 38 338 312 HOH HOH v . +KK 41 HOH 39 339 337 HOH HOH v . +KK 41 HOH 40 340 226 HOH HOH v . +KK 41 HOH 41 341 323 HOH HOH v . +KK 41 HOH 42 342 322 HOH HOH v . +KK 41 HOH 43 343 332 HOH HOH v . +KK 41 HOH 44 344 334 HOH HOH v . +KK 41 HOH 45 345 333 HOH HOH v . +KK 41 HOH 46 346 152 HOH HOH v . +KK 41 HOH 47 347 343 HOH HOH v . +KK 41 HOH 48 348 229 HOH HOH v . +KK 41 HOH 49 349 338 HOH HOH v . +KK 41 HOH 50 350 331 HOH HOH v . +KK 41 HOH 51 351 341 HOH HOH v . +KK 41 HOH 52 352 342 HOH HOH v . +KK 41 HOH 53 353 230 HOH HOH v . +KK 41 HOH 54 354 126 HOH HOH v . +KK 41 HOH 55 355 125 HOH HOH v . +KK 41 HOH 56 356 177 HOH HOH v . +LK 41 HOH 1 201 129 HOH HOH x . +LK 41 HOH 2 202 536 HOH HOH x . +LK 41 HOH 3 203 201 HOH HOH x . +LK 41 HOH 4 204 202 HOH HOH x . +LK 41 HOH 5 205 115 HOH HOH x . +LK 41 HOH 6 206 105 HOH HOH x . +MK 41 HOH 1 201 153 HOH HOH y . +MK 41 HOH 2 202 201 HOH HOH y . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 j MET 1 ? CG ? AA MET 1 CG +2 1 Y 1 j MET 1 ? SD ? AA MET 1 SD +3 1 Y 1 j MET 1 ? CE ? AA MET 1 CE +4 1 N 1 B LMG 621 ? C26 ? BC LMG 1 C26 +5 1 N 1 B LMG 621 ? C27 ? BC LMG 1 C27 +6 1 N 1 B LMG 621 ? C44 ? BC LMG 1 C44 +7 1 N 1 B LMG 621 ? C45 ? BC LMG 1 C45 +8 1 N 1 B LMT 631 ? C2B ? LC LMT 1 C2B +9 1 N 1 B LMT 631 ? C3B ? LC LMT 1 C3B +10 1 N 1 B LMT 631 ? C4B ? LC LMT 1 C4B +11 1 N 1 B LMT 631 ? C5B ? LC LMT 1 C5B +12 1 N 1 B LMT 631 ? C6B ? LC LMT 1 C6B +13 1 N 1 B LMT 631 ? O2B ? LC LMT 1 O2B +14 1 N 1 B LMT 631 ? O3B ? LC LMT 1 O3B +15 1 N 1 B LMT 631 ? "O4'" ? LC LMT 1 "O4'" +16 1 N 1 B LMT 631 ? O5B ? LC LMT 1 O5B +17 1 N 1 B LMT 631 ? O6B ? LC LMT 1 O6B +18 1 N 1 C LMG 501 ? C26 ? MC LMG 1 C26 +19 1 N 1 C LMG 501 ? C27 ? MC LMG 1 C27 +20 1 N 1 C LMG 501 ? C44 ? MC LMG 1 C44 +21 1 N 1 C LMG 501 ? C45 ? MC LMG 1 C45 +22 1 N 1 C DGD 517 ? CHA ? CD DGD 1 CHA +23 1 N 1 C DGD 517 ? CIA ? CD DGD 1 CIA +24 1 N 1 C DGD 517 ? CHB ? CD DGD 1 CHB +25 1 N 1 C DGD 517 ? CIB ? CD DGD 1 CIB +26 1 N 1 C DGD 518 ? CHA ? DD DGD 1 CHA +27 1 N 1 C DGD 518 ? CIA ? DD DGD 1 CIA +28 1 N 1 C DGD 518 ? CHB ? DD DGD 1 CHB +29 1 N 1 C DGD 518 ? CIB ? DD DGD 1 CIB +30 1 N 1 C DGD 519 ? CHA ? ED DGD 1 CHA +31 1 N 1 C DGD 519 ? CIA ? ED DGD 1 CIA +32 1 N 1 C DGD 519 ? CHB ? ED DGD 1 CHB +33 1 N 1 C DGD 519 ? CIB ? ED DGD 1 CIB +34 1 N 1 C LMG 520 ? C26 ? FD LMG 1 C26 +35 1 N 1 C LMG 520 ? C27 ? FD LMG 1 C27 +36 1 N 1 C LMG 520 ? C44 ? FD LMG 1 C44 +37 1 N 1 C LMG 520 ? C45 ? FD LMG 1 C45 +38 1 N 1 C LMG 521 ? C26 ? GD LMG 1 C26 +39 1 N 1 C LMG 521 ? C27 ? GD LMG 1 C27 +40 1 N 1 C LMG 521 ? C44 ? GD LMG 1 C44 +41 1 N 1 C LMG 521 ? C45 ? GD LMG 1 C45 +42 1 N 1 D HTG 410 ? "C5'" ? TD HTG 1 "C5'" +43 1 N 1 D HTG 410 ? "C6'" ? TD HTG 1 "C6'" +44 1 N 1 D HTG 410 ? "C7'" ? TD HTG 1 "C7'" +45 1 N 1 D LMG 411 ? C26 ? UD LMG 1 C26 +46 1 N 1 D LMG 411 ? C27 ? UD LMG 1 C27 +47 1 N 1 D LMG 411 ? C44 ? UD LMG 1 C44 +48 1 N 1 D LMG 411 ? C45 ? UD LMG 1 C45 +49 1 N 1 E LHG 101 ? C32 ? WD LHG 1 C32 +50 1 N 1 E LHG 101 ? C33 ? WD LHG 1 C33 +51 1 N 1 E LHG 101 ? C34 ? WD LHG 1 C34 +52 1 N 1 E LHG 101 ? C35 ? WD LHG 1 C35 +53 1 N 1 E LHG 101 ? C36 ? WD LHG 1 C36 +54 1 N 1 E LHG 101 ? C37 ? WD LHG 1 C37 +55 1 N 1 E LHG 101 ? C38 ? WD LHG 1 C38 +56 1 N 1 F SQD 102 ? C12 ? ZD SQD 1 C12 +57 1 N 1 F SQD 102 ? C13 ? ZD SQD 1 C13 +58 1 N 1 F SQD 102 ? C14 ? ZD SQD 1 C14 +59 1 N 1 F SQD 102 ? C15 ? ZD SQD 1 C15 +60 1 N 1 F SQD 102 ? C16 ? ZD SQD 1 C16 +61 1 N 1 F SQD 102 ? C17 ? ZD SQD 1 C17 +62 1 N 1 F SQD 102 ? C18 ? ZD SQD 1 C18 +63 1 N 1 F SQD 102 ? C19 ? ZD SQD 1 C19 +64 1 N 1 F SQD 102 ? C20 ? ZD SQD 1 C20 +65 1 N 1 F SQD 102 ? C21 ? ZD SQD 1 C21 +66 1 N 1 F SQD 102 ? C22 ? ZD SQD 1 C22 +67 1 N 1 H DGD 102 ? CHA ? CE DGD 1 CHA +68 1 N 1 H DGD 102 ? CIA ? CE DGD 1 CIA +69 1 N 1 H DGD 102 ? CHB ? CE DGD 1 CHB +70 1 N 1 H DGD 102 ? CIB ? CE DGD 1 CIB +71 1 N 1 V HTG 202 ? S1 ? RE HTG 1 S1 +72 1 N 1 V HTG 202 ? "C1'" ? RE HTG 1 "C1'" +73 1 N 1 V HTG 202 ? "C2'" ? RE HTG 1 "C2'" +74 1 N 1 V HTG 202 ? "C3'" ? RE HTG 1 "C3'" +75 1 N 1 V HTG 202 ? "C4'" ? RE HTG 1 "C4'" +76 1 N 1 V HTG 202 ? "C5'" ? RE HTG 1 "C5'" +77 1 N 1 V HTG 202 ? "C6'" ? RE HTG 1 "C6'" +78 1 N 1 V HTG 202 ? "C7'" ? RE HTG 1 "C7'" +79 1 N 1 a LMG 415 ? C26 ? JF LMG 1 C26 +80 1 N 1 a LMG 415 ? C27 ? JF LMG 1 C27 +81 1 N 1 a LMG 415 ? C44 ? JF LMG 1 C44 +82 1 N 1 a LMG 415 ? C45 ? JF LMG 1 C45 +83 1 N 1 a LHG 419 ? C32 ? NF LHG 1 C32 +84 1 N 1 a LHG 419 ? C33 ? NF LHG 1 C33 +85 1 N 1 a LHG 419 ? C34 ? NF LHG 1 C34 +86 1 N 1 a LHG 419 ? C35 ? NF LHG 1 C35 +87 1 N 1 a LHG 419 ? C36 ? NF LHG 1 C36 +88 1 N 1 a LHG 419 ? C37 ? NF LHG 1 C37 +89 1 N 1 a LHG 419 ? C38 ? NF LHG 1 C38 +90 1 N 1 b LMT 621 ? C2B ? IG LMT 1 C2B +91 1 N 1 b LMT 621 ? C3B ? IG LMT 1 C3B +92 1 N 1 b LMT 621 ? C4B ? IG LMT 1 C4B +93 1 N 1 b LMT 621 ? C5B ? IG LMT 1 C5B +94 1 N 1 b LMT 621 ? C6B ? IG LMT 1 C6B +95 1 N 1 b LMT 621 ? O2B ? IG LMT 1 O2B +96 1 N 1 b LMT 621 ? O3B ? IG LMT 1 O3B +97 1 N 1 b LMT 621 ? "O4'" ? IG LMT 1 "O4'" +98 1 N 1 b LMT 621 ? O5B ? IG LMT 1 O5B +99 1 N 1 b LMT 621 ? O6B ? IG LMT 1 O6B +100 1 N 1 b LMT 627 ? C2B ? OG LMT 1 C2B +101 1 N 1 b LMT 627 ? C3B ? OG LMT 1 C3B +102 1 N 1 b LMT 627 ? C4B ? OG LMT 1 C4B +103 1 N 1 b LMT 627 ? C5B ? OG LMT 1 C5B +104 1 N 1 b LMT 627 ? C6B ? OG LMT 1 C6B +105 1 N 1 b LMT 627 ? O2B ? OG LMT 1 O2B +106 1 N 1 b LMT 627 ? O3B ? OG LMT 1 O3B +107 1 N 1 b LMT 627 ? "O4'" ? OG LMT 1 "O4'" +108 1 N 1 b LMT 627 ? O5B ? OG LMT 1 O5B +109 1 N 1 b LMT 627 ? O6B ? OG LMT 1 O6B +110 1 N 1 c DGD 516 ? CHA ? GH DGD 1 CHA +111 1 N 1 c DGD 516 ? CIA ? GH DGD 1 CIA +112 1 N 1 c DGD 516 ? CHB ? GH DGD 1 CHB +113 1 N 1 c DGD 516 ? CIB ? GH DGD 1 CIB +114 1 N 1 c DGD 517 ? CHA ? HH DGD 1 CHA +115 1 N 1 c DGD 517 ? CIA ? HH DGD 1 CIA +116 1 N 1 c DGD 517 ? CHB ? HH DGD 1 CHB +117 1 N 1 c DGD 517 ? CIB ? HH DGD 1 CIB +118 1 N 1 c DGD 518 ? CHA ? IH DGD 1 CHA +119 1 N 1 c DGD 518 ? CIA ? IH DGD 1 CIA +120 1 N 1 c DGD 518 ? CHB ? IH DGD 1 CHB +121 1 N 1 c DGD 518 ? CIB ? IH DGD 1 CIB +122 1 N 1 c LMG 519 ? C26 ? JH LMG 1 C26 +123 1 N 1 c LMG 519 ? C27 ? JH LMG 1 C27 +124 1 N 1 c LMG 519 ? C44 ? JH LMG 1 C44 +125 1 N 1 c LMG 519 ? C45 ? JH LMG 1 C45 +126 1 N 1 c LMG 520 ? C26 ? KH LMG 1 C26 +127 1 N 1 c LMG 520 ? C27 ? KH LMG 1 C27 +128 1 N 1 c LMG 520 ? C44 ? KH LMG 1 C44 +129 1 N 1 c LMG 520 ? C45 ? KH LMG 1 C45 +130 1 N 1 d HTG 411 ? "C5'" ? BI HTG 1 "C5'" +131 1 N 1 d HTG 411 ? "C6'" ? BI HTG 1 "C6'" +132 1 N 1 d HTG 411 ? "C7'" ? BI HTG 1 "C7'" +133 1 N 1 d LMG 412 ? C26 ? CI LMG 1 C26 +134 1 N 1 d LMG 412 ? C27 ? CI LMG 1 C27 +135 1 N 1 d LMG 412 ? C44 ? CI LMG 1 C44 +136 1 N 1 d LMG 412 ? C45 ? CI LMG 1 C45 +137 1 N 1 f SQD 102 ? C12 ? HI SQD 1 C12 +138 1 N 1 f SQD 102 ? C13 ? HI SQD 1 C13 +139 1 N 1 f SQD 102 ? C14 ? HI SQD 1 C14 +140 1 N 1 f SQD 102 ? C15 ? HI SQD 1 C15 +141 1 N 1 f SQD 102 ? C16 ? HI SQD 1 C16 +142 1 N 1 f SQD 102 ? C17 ? HI SQD 1 C17 +143 1 N 1 f SQD 102 ? C18 ? HI SQD 1 C18 +144 1 N 1 f SQD 102 ? C19 ? HI SQD 1 C19 +145 1 N 1 f SQD 102 ? C20 ? HI SQD 1 C20 +146 1 N 1 f SQD 102 ? C21 ? HI SQD 1 C21 +147 1 N 1 f SQD 102 ? C22 ? HI SQD 1 C22 +148 1 N 1 h DGD 102 ? CHA ? KI DGD 1 CHA +149 1 N 1 h DGD 102 ? CIA ? KI DGD 1 CIA +150 1 N 1 h DGD 102 ? CHB ? KI DGD 1 CHB +151 1 N 1 h DGD 102 ? CIB ? KI DGD 1 CIB +152 1 N 1 m LMG 101 ? C26 ? QI LMG 1 C26 +153 1 N 1 m LMG 101 ? C27 ? QI LMG 1 C27 +154 1 N 1 m LMG 101 ? C44 ? QI LMG 1 C44 +155 1 N 1 m LMG 101 ? C45 ? QI LMG 1 C45 +156 1 N 1 t LMT 101 ? C2B ? WI LMT 1 C2B +157 1 N 1 t LMT 101 ? C3B ? WI LMT 1 C3B +158 1 N 1 t LMT 101 ? C4B ? WI LMT 1 C4B +159 1 N 1 t LMT 101 ? C5B ? WI LMT 1 C5B +160 1 N 1 t LMT 101 ? C6B ? WI LMT 1 C6B +161 1 N 1 t LMT 101 ? O2B ? WI LMT 1 O2B +162 1 N 1 t LMT 101 ? O3B ? WI LMT 1 O3B +163 1 N 1 t LMT 101 ? "O4'" ? WI LMT 1 "O4'" +164 1 N 1 t LMT 101 ? O6B ? WI LMT 1 O6B +165 1 N 1 Z LMG 101 ? C26 ? CJ LMG 1 C26 +166 1 N 1 Z LMG 101 ? C27 ? CJ LMG 1 C27 +167 1 N 1 Z LMG 101 ? C30 ? CJ LMG 1 C30 +168 1 N 1 Z LMG 101 ? C31 ? CJ LMG 1 C31 +169 1 N 1 Z LMG 101 ? C32 ? CJ LMG 1 C32 +170 1 N 1 Z LMG 101 ? C33 ? CJ LMG 1 C33 +171 1 N 1 Z LMG 101 ? C34 ? CJ LMG 1 C34 +172 1 N 1 Z LMG 101 ? C35 ? CJ LMG 1 C35 +173 1 N 1 Z LMG 101 ? C36 ? CJ LMG 1 C36 +174 1 N 1 Z LMG 101 ? C37 ? CJ LMG 1 C37 +175 1 N 1 Z LMG 101 ? C38 ? CJ LMG 1 C38 +176 1 N 1 Z LMG 101 ? C39 ? CJ LMG 1 C39 +177 1 N 1 Z LMG 101 ? C40 ? CJ LMG 1 C40 +178 1 N 1 Z LMG 101 ? C41 ? CJ LMG 1 C41 +179 1 N 1 Z LMG 101 ? C42 ? CJ LMG 1 C42 +180 1 N 1 Z LMG 101 ? C43 ? CJ LMG 1 C43 +181 1 N 1 Z LMG 101 ? C44 ? CJ LMG 1 C44 +182 1 N 1 Z LMG 101 ? C45 ? CJ LMG 1 C45 +183 1 N 1 z LMG 101 ? C26 ? DJ LMG 1 C26 +184 1 N 1 z LMG 101 ? C27 ? DJ LMG 1 C27 +185 1 N 1 z LMG 101 ? C32 ? DJ LMG 1 C32 +186 1 N 1 z LMG 101 ? C33 ? DJ LMG 1 C33 +187 1 N 1 z LMG 101 ? C34 ? DJ LMG 1 C34 +188 1 N 1 z LMG 101 ? C35 ? DJ LMG 1 C35 +189 1 N 1 z LMG 101 ? C36 ? DJ LMG 1 C36 +190 1 N 1 z LMG 101 ? C37 ? DJ LMG 1 C37 +191 1 N 1 z LMG 101 ? C38 ? DJ LMG 1 C38 +192 1 N 1 z LMG 101 ? C39 ? DJ LMG 1 C39 +193 1 N 1 z LMG 101 ? C40 ? DJ LMG 1 C40 +194 1 N 1 z LMG 101 ? C41 ? DJ LMG 1 C41 +195 1 N 1 z LMG 101 ? C42 ? DJ LMG 1 C42 +196 1 N 1 z LMG 101 ? C43 ? DJ LMG 1 C43 +197 1 N 1 z LMG 101 ? C44 ? DJ LMG 1 C44 +198 1 N 1 z LMG 101 ? C45 ? DJ LMG 1 C45 +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.19.2_4158: ???)' 1 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? cctbx.xfel ? ? ? . 2 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? cxi.merge ? ? ? . 3 +? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 +# +_cell.angle_alpha 90.00 +_cell.angle_alpha_esd ? +_cell.angle_beta 90.00 +_cell.angle_beta_esd ? +_cell.angle_gamma 90.00 +_cell.angle_gamma_esd ? +_cell.entry_id 8IRA +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 125.750 +_cell.length_a_esd ? +_cell.length_b 231.600 +_cell.length_b_esd ? +_cell.length_c 288.280 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 8 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +_cell.pdbx_esd_method ? +# +_symmetry.entry_id 8IRA +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 8IRA +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews 3.52 +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol 65.02 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +_exptl_crystal.pdbx_mosaic_method ? +_exptl_crystal.pdbx_mosaic_block_size ? +_exptl_crystal.pdbx_mosaic_block_size_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method MICROBATCH +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 6.0 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details '5.5% PEG1450, 20mM NaCl, 10mM CaCl2, 40mM MgSO4, 20mM Mes BUFFER' +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.temp 293 +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 293 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details ? +_diffrn_detector.detector CCD +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'RAYONIX MX300-HS' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2020-07-07 +_diffrn_detector.pdbx_frequency ? +_diffrn_detector.id ? +_diffrn_detector.number_of_axes ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.24 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source 'FREE ELECTRON LASER' +_diffrn_source.target ? +_diffrn_source.type 'SACLA BEAMLINE BL2' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 1.24 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline BL2 +_diffrn_source.pdbx_synchrotron_site SACLA +# +_reflns.B_iso_Wilson_estimate ? +_reflns.entry_id 8IRA +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 2.20 +_reflns.d_resolution_low 47.45 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 422499 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 100.0 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 401.2 +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 53.5 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all ? +_reflns.pdbx_Rpim_I_all ? +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.995 +_reflns.pdbx_CC_star ? +_reflns.pdbx_R_split 0.091 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_CC_split_method ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_1 ? +_reflns.pdbx_aniso_diffraction_limit_2 ? +_reflns.pdbx_aniso_diffraction_limit_3 ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? +_reflns.pdbx_orthogonalization_convention ? +_reflns.pdbx_percent_possible_ellipsoidal ? +_reflns.pdbx_percent_possible_spherical ? +_reflns.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns.pdbx_percent_possible_spherical_anomalous ? +_reflns.pdbx_redundancy_anomalous ? +_reflns.pdbx_CC_half_anomalous ? +_reflns.pdbx_absDiff_over_sigma_anomalous ? +_reflns.pdbx_percent_possible_anomalous ? +_reflns.pdbx_observed_signal_threshold ? +_reflns.pdbx_signal_type ? +_reflns.pdbx_signal_details ? +_reflns.pdbx_signal_software_id ? +# +_reflns_shell.d_res_high 2.20 +_reflns_shell.d_res_low 2.24 +_reflns_shell.meanI_over_sigI_all ? +_reflns_shell.meanI_over_sigI_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_possible ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_unique_obs 21214 +_reflns_shell.percent_possible_obs ? +_reflns_shell.Rmerge_F_all ? +_reflns_shell.Rmerge_F_obs ? +_reflns_shell.meanI_over_sigI_gt ? +_reflns_shell.meanI_over_uI_all ? +_reflns_shell.meanI_over_uI_gt ? +_reflns_shell.number_measured_gt ? +_reflns_shell.number_unique_gt ? +_reflns_shell.percent_possible_gt ? +_reflns_shell.Rmerge_F_gt ? +_reflns_shell.Rmerge_I_gt ? +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_netI_over_sigmaI_all ? +_reflns_shell.pdbx_netI_over_sigmaI_obs ? +_reflns_shell.pdbx_Rrim_I_all ? +_reflns_shell.pdbx_Rpim_I_all ? +_reflns_shell.pdbx_rejects ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_CC_half 0.492 +_reflns_shell.pdbx_CC_star ? +_reflns_shell.pdbx_R_split 0.749 +_reflns_shell.percent_possible_all ? +_reflns_shell.Rmerge_I_all ? +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.pdbx_percent_possible_ellipsoidal ? +_reflns_shell.pdbx_percent_possible_spherical ? +_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns_shell.pdbx_percent_possible_spherical_anomalous ? +_reflns_shell.pdbx_redundancy_anomalous ? +_reflns_shell.pdbx_CC_half_anomalous ? +_reflns_shell.pdbx_absDiff_over_sigma_anomalous ? +_reflns_shell.pdbx_percent_possible_anomalous ? +# +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.B_iso_max ? +_refine.B_iso_mean ? +_refine.B_iso_min ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.details ? +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 8IRA +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 2.20 +_refine.ls_d_res_low 19.98 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 422499 +_refine.ls_number_reflns_R_free 21140 +_refine.ls_number_reflns_R_work ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 99.93 +_refine.ls_percent_reflns_R_free 5.00 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs 0.1439 +_refine.ls_R_factor_R_free 0.1784 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.1421 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.pdbx_R_complete ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 1.33 +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model ? +_refine.pdbx_stereochemistry_target_values ML +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_solvent_vdw_probe_radii 1.11 +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii 0.90 +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error 22.38 +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B ? +_refine.overall_SU_ML 0.24 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.details ? +_refine_hist.d_res_high 2.20 +_refine_hist.d_res_low 19.98 +_refine_hist.number_atoms_solvent 1825 +_refine_hist.number_atoms_total 52635 +_refine_hist.number_reflns_all ? +_refine_hist.number_reflns_obs ? +_refine_hist.number_reflns_R_free ? +_refine_hist.number_reflns_R_work ? +_refine_hist.R_factor_all ? +_refine_hist.R_factor_obs ? +_refine_hist.R_factor_R_free ? +_refine_hist.R_factor_R_work ? +_refine_hist.pdbx_number_residues_total ? +_refine_hist.pdbx_B_iso_mean_ligand ? +_refine_hist.pdbx_B_iso_mean_solvent ? +_refine_hist.pdbx_number_atoms_protein 41493 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 9317 +_refine_hist.pdbx_number_atoms_lipid ? +_refine_hist.pdbx_number_atoms_carb ? +_refine_hist.pdbx_pseudo_atom_details ? +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' ? 0.008 ? 62789 ? f_bond_d ? ? +'X-RAY DIFFRACTION' ? 1.278 ? 86155 ? f_angle_d ? ? +'X-RAY DIFFRACTION' ? 23.455 ? 24497 ? f_dihedral_angle_d ? ? +'X-RAY DIFFRACTION' ? 0.057 ? 8525 ? f_chiral_restr ? ? +'X-RAY DIFFRACTION' ? 0.009 ? 10230 ? f_plane_restr ? ? +# +loop_ +_refine_ls_shell.pdbx_refine_id +_refine_ls_shell.d_res_high +_refine_ls_shell.d_res_low +_refine_ls_shell.number_reflns_all +_refine_ls_shell.number_reflns_obs +_refine_ls_shell.number_reflns_R_free +_refine_ls_shell.number_reflns_R_work +_refine_ls_shell.percent_reflns_obs +_refine_ls_shell.percent_reflns_R_free +_refine_ls_shell.R_factor_all +_refine_ls_shell.R_factor_obs +_refine_ls_shell.R_factor_R_free_error +_refine_ls_shell.R_factor_R_work +_refine_ls_shell.redundancy_reflns_all +_refine_ls_shell.redundancy_reflns_obs +_refine_ls_shell.wR_factor_all +_refine_ls_shell.wR_factor_obs +_refine_ls_shell.wR_factor_R_free +_refine_ls_shell.wR_factor_R_work +_refine_ls_shell.pdbx_R_complete +_refine_ls_shell.pdbx_total_number_of_bins_used +_refine_ls_shell.pdbx_phase_error +_refine_ls_shell.pdbx_fsc_work +_refine_ls_shell.pdbx_fsc_free +_refine_ls_shell.R_factor_R_free +'X-RAY DIFFRACTION' 2.20 2.22 . . 656 13263 100.00 . . . . 0.3630 . . . . . . . . . . . 0.3914 +'X-RAY DIFFRACTION' 2.22 2.25 . . 698 13353 100.00 . . . . 0.3335 . . . . . . . . . . . 0.3569 +'X-RAY DIFFRACTION' 2.25 2.28 . . 682 13240 100.00 . . . . 0.3083 . . . . . . . . . . . 0.3539 +'X-RAY DIFFRACTION' 2.28 2.31 . . 659 13366 100.00 . . . . 0.2874 . . . . . . . . . . . 0.3113 +'X-RAY DIFFRACTION' 2.31 2.34 . . 703 13301 100.00 . . . . 0.2696 . . . . . . . . . . . 0.3055 +'X-RAY DIFFRACTION' 2.34 2.37 . . 727 13245 100.00 . . . . 0.2588 . . . . . . . . . . . 0.2975 +'X-RAY DIFFRACTION' 2.37 2.40 . . 675 13302 100.00 . . . . 0.2327 . . . . . . . . . . . 0.2702 +'X-RAY DIFFRACTION' 2.40 2.44 . . 716 13339 100.00 . . . . 0.2306 . . . . . . . . . . . 0.2777 +'X-RAY DIFFRACTION' 2.44 2.48 . . 672 13284 100.00 . . . . 0.2145 . . . . . . . . . . . 0.2532 +'X-RAY DIFFRACTION' 2.48 2.52 . . 714 13334 100.00 . . . . 0.1991 . . . . . . . . . . . 0.2501 +'X-RAY DIFFRACTION' 2.52 2.56 . . 660 13316 100.00 . . . . 0.1872 . . . . . . . . . . . 0.2449 +'X-RAY DIFFRACTION' 2.56 2.61 . . 744 13258 100.00 . . . . 0.1723 . . . . . . . . . . . 0.2270 +'X-RAY DIFFRACTION' 2.61 2.66 . . 706 13312 100.00 . . . . 0.1586 . . . . . . . . . . . 0.2120 +'X-RAY DIFFRACTION' 2.66 2.71 . . 710 13332 100.00 . . . . 0.1496 . . . . . . . . . . . 0.2041 +'X-RAY DIFFRACTION' 2.71 2.77 . . 709 13299 100.00 . . . . 0.1383 . . . . . . . . . . . 0.1960 +'X-RAY DIFFRACTION' 2.77 2.83 . . 719 13334 100.00 . . . . 0.1363 . . . . . . . . . . . 0.1975 +'X-RAY DIFFRACTION' 2.83 2.91 . . 697 13330 100.00 . . . . 0.1298 . . . . . . . . . . . 0.1861 +'X-RAY DIFFRACTION' 2.91 2.98 . . 695 13391 100.00 . . . . 0.1232 . . . . . . . . . . . 0.1734 +'X-RAY DIFFRACTION' 2.98 3.07 . . 713 13344 100.00 . . . . 0.1161 . . . . . . . . . . . 0.1710 +'X-RAY DIFFRACTION' 3.07 3.17 . . 702 13384 100.00 . . . . 0.1181 . . . . . . . . . . . 0.1689 +'X-RAY DIFFRACTION' 3.17 3.28 . . 719 13367 100.00 . . . . 0.1172 . . . . . . . . . . . 0.1577 +'X-RAY DIFFRACTION' 3.28 3.41 . . 716 13391 100.00 . . . . 0.1132 . . . . . . . . . . . 0.1612 +'X-RAY DIFFRACTION' 3.41 3.57 . . 719 13372 100.00 . . . . 0.1094 . . . . . . . . . . . 0.1592 +'X-RAY DIFFRACTION' 3.57 3.76 . . 685 13413 100.00 . . . . 0.1100 . . . . . . . . . . . 0.1538 +'X-RAY DIFFRACTION' 3.76 3.99 . . 738 13415 100.00 . . . . 0.1113 . . . . . . . . . . . 0.1437 +'X-RAY DIFFRACTION' 3.99 4.29 . . 691 13462 100.00 . . . . 0.1153 . . . . . . . . . . . 0.1461 +'X-RAY DIFFRACTION' 4.29 4.72 . . 723 13450 100.00 . . . . 0.1138 . . . . . . . . . . . 0.1393 +'X-RAY DIFFRACTION' 4.72 5.39 . . 709 13573 100.00 . . . . 0.1264 . . . . . . . . . . . 0.1619 +'X-RAY DIFFRACTION' 5.39 6.75 . . 730 13638 100.00 . . . . 0.1441 . . . . . . . . . . . 0.1740 +'X-RAY DIFFRACTION' 6.75 19.98 . . 753 13951 100.00 . . . . 0.1478 . . . . . . . . . . . 0.1641 +# +_struct.entry_id 8IRA +_struct.title +'XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-microsecond delay' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 8IRA +_struct_keywords.text 'PSII, photosystem II, XFEL, PHOTOSYNTHESIS' +_struct_keywords.pdbx_keywords PHOTOSYNTHESIS +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 5 ? +F N N 6 ? +G N N 7 ? +H N N 8 ? +I N N 9 ? +J N N 10 ? +K N N 11 ? +L N N 12 ? +M N N 13 ? +N N N 14 ? +O N N 15 ? +P N N 16 ? +Q N N 17 ? +R N N 18 ? +S N N 1 ? +T N N 2 ? +U N N 3 ? +V N N 4 ? +W N N 5 ? +X N N 6 ? +Y N N 7 ? +Z N N 8 ? +AA N N 9 ? +BA N N 10 ? +CA N N 11 ? +DA N N 12 ? +EA N N 13 ? +FA N N 14 ? +GA N N 15 ? +HA N N 16 ? +IA N N 17 ? +JA N N 18 ? +KA N N 19 ? +LA N N 20 ? +MA N N 19 ? +NA N N 21 ? +OA N N 22 ? +PA N N 22 ? +QA N N 23 ? +RA N N 23 ? +SA N N 23 ? +TA N N 24 ? +UA N N 23 ? +VA N N 25 ? +WA N N 26 ? +XA N N 27 ? +YA N N 26 ? +ZA N N 28 ? +AB N N 29 ? +BB N N 30 ? +CB N N 24 ? +DB N N 31 ? +EB N N 27 ? +FB N N 32 ? +GB N N 31 ? +HB N N 23 ? +IB N N 23 ? +JB N N 23 ? +KB N N 23 ? +LB N N 23 ? +MB N N 23 ? +NB N N 23 ? +OB N N 23 ? +PB N N 23 ? +QB N N 23 ? +RB N N 23 ? +SB N N 23 ? +TB N N 23 ? +UB N N 23 ? +VB N N 23 ? +WB N N 23 ? +XB N N 25 ? +YB N N 25 ? +ZB N N 25 ? +AC N N 26 ? +BC N N 33 ? +CC N N 34 ? +DC N N 34 ? +EC N N 27 ? +FC N N 34 ? +GC N N 30 ? +HC N N 27 ? +IC N N 31 ? +JC N N 27 ? +KC N N 31 ? +LC N N 31 ? +MC N N 33 ? +NC N N 23 ? +OC N N 23 ? +PC N N 23 ? +QC N N 23 ? +RC N N 23 ? +SC N N 23 ? +TC N N 23 ? +UC N N 23 ? +VC N N 23 ? +WC N N 23 ? +XC N N 23 ? +YC N N 23 ? +ZC N N 23 ? +AD N N 25 ? +BD N N 25 ? +CD N N 35 ? +DD N N 35 ? +ED N N 35 ? +FD N N 33 ? +GD N N 33 ? +HD N N 34 ? +ID N N 27 ? +JD N N 36 ? +KD N N 37 ? +LD N N 23 ? +MD N N 23 ? +ND N N 25 ? +OD N N 29 ? +PD N N 32 ? +QD N N 32 ? +RD N N 30 ? +SD N N 30 ? +TD N N 34 ? +UD N N 33 ? +VD N N 27 ? +WD N N 32 ? +XD N N 38 ? +YD N N 31 ? +ZD N N 26 ? +AE N N 36 ? +BE N N 25 ? +CE N N 35 ? +DE N N 30 ? +EE N N 30 ? +FE N N 39 ? +GE N N 30 ? +HE N N 25 ? +IE N N 32 ? +JE N N 31 ? +KE N N 30 ? +LE N N 36 ? +ME N N 27 ? +NE N N 27 ? +OE N N 31 ? +PE N N 25 ? +QE N N 40 ? +RE N N 34 ? +SE N N 27 ? +TE N N 30 ? +UE N N 25 ? +VE N N 21 ? +WE N N 22 ? +XE N N 22 ? +YE N N 23 ? +ZE N N 23 ? +AF N N 24 ? +BF N N 23 ? +CF N N 25 ? +DF N N 26 ? +EF N N 26 ? +FF N N 28 ? +GF N N 29 ? +HF N N 30 ? +IF N N 24 ? +JF N N 33 ? +KF N N 31 ? +LF N N 27 ? +MF N N 27 ? +NF N N 32 ? +OF N N 23 ? +PF N N 23 ? +QF N N 23 ? +RF N N 23 ? +SF N N 23 ? +TF N N 23 ? +UF N N 23 ? +VF N N 23 ? +WF N N 23 ? +XF N N 23 ? +YF N N 23 ? +ZF N N 23 ? +AG N N 23 ? +BG N N 23 ? +CG N N 23 ? +DG N N 23 ? +EG N N 25 ? +FG N N 25 ? +GG N N 25 ? +HG N N 26 ? +IG N N 31 ? +JG N N 34 ? +KG N N 34 ? +LG N N 27 ? +MG N N 34 ? +NG N N 30 ? +OG N N 31 ? +PG N N 27 ? +QG N N 32 ? +RG N N 23 ? +SG N N 23 ? +TG N N 23 ? +UG N N 23 ? +VG N N 23 ? +WG N N 23 ? +XG N N 23 ? +YG N N 23 ? +ZG N N 23 ? +AH N N 23 ? +BH N N 23 ? +CH N N 23 ? +DH N N 23 ? +EH N N 25 ? +FH N N 25 ? +GH N N 35 ? +HH N N 35 ? +IH N N 35 ? +JH N N 33 ? +KH N N 33 ? +LH N N 34 ? +MH N N 36 ? +NH N N 36 ? +OH N N 30 ? +PH N N 27 ? +QH N N 27 ? +RH N N 37 ? +SH N N 23 ? +TH N N 23 ? +UH N N 23 ? +VH N N 25 ? +WH N N 29 ? +XH N N 32 ? +YH N N 32 ? +ZH N N 30 ? +AI N N 30 ? +BI N N 34 ? +CI N N 33 ? +DI N N 27 ? +EI N N 32 ? +FI N N 31 ? +GI N N 38 ? +HI N N 26 ? +II N N 36 ? +JI N N 25 ? +KI N N 35 ? +LI N N 30 ? +MI N N 30 ? +NI N N 39 ? +OI N N 25 ? +PI N N 27 ? +QI N N 33 ? +RI N N 30 ? +SI N N 31 ? +TI N N 36 ? +UI N N 27 ? +VI N N 27 ? +WI N N 31 ? +XI N N 25 ? +YI N N 40 ? +ZI N N 27 ? +AJ N N 30 ? +BJ N N 25 ? +CJ N N 33 ? +DJ N N 33 ? +EJ N N 41 ? +FJ N N 41 ? +GJ N N 41 ? +HJ N N 41 ? +IJ N N 41 ? +JJ N N 41 ? +KJ N N 41 ? +LJ N N 41 ? +MJ N N 41 ? +NJ N N 41 ? +OJ N N 41 ? +PJ N N 41 ? +QJ N N 41 ? +RJ N N 41 ? +SJ N N 41 ? +TJ N N 41 ? +UJ N N 41 ? +VJ N N 41 ? +WJ N N 41 ? +XJ N N 41 ? +YJ N N 41 ? +ZJ N N 41 ? +AK N N 41 ? +BK N N 41 ? +CK N N 41 ? +DK N N 41 ? +EK N N 41 ? +FK N N 41 ? +GK N N 41 ? +HK N N 41 ? +IK N N 41 ? +JK N N 41 ? +KK N N 41 ? +LK N N 41 ? +MK N N 41 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +1 UNP PSBA_THEVL P51765 ? 1 +;MTTTLQRRESANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGSLLYGNNIITG +AVVPSSNAIGLHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLI +YPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFG +QEEETYNIVAAHGYFGRLIFQYASFNNSRSLHFFLAAWRVVGVWFAALGISTMAFNLNGFNFNHSVIDAKGNVINTWADI +INRANLGMEVMHERNAHNFPLDLA +; +1 +2 UNP PSBB_THEVL D0VWR1 ? 2 +;GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMFVLPFMARLGVTGSWSGWSIT +GETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLELFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGL +FGPGMWVSDPYGLTGSVQPVAPEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS +IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEAWSAIPEKLAFYDYIGNNPAK +GGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPAFFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSF +YGGELNGQTFTDPPTVKSYARKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG +IDPELSPEQVEWGFYQKVGDVTTRK +; +1 +3 UNP PSBC_THEVL D0VWR7 ? 3 +;ATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWGVGPG +GEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAKAMFF +GGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARR +AFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLGKYLM +RSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSP +RSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +1 +4 UNP PSBD_THEVL D0VWR8 ? 4 +;ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLL +LLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFA +PSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTAN +RFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMA +PQDQPHENFVFPEEVLPRGNAL +; +1 +5 UNP PSBE_THEVL P12238 ? 5 +;MAGTTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFL +EQLK +; +1 +6 UNP PSBF_THEVL P12239 ? 6 TSNTPNQEPVSYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR 2 +7 UNP PSBH_THEVL P19052 ? 7 ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVSWKALG 1 +8 UNP PSBI_THEVL P12240 ? 8 METLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKDLE 1 +9 UNP PSBJ_THEVL Q7DGD4 ? 9 MSEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL 2 +10 UNP PSBK_THEVL P19054 ? 10 KLPEAYAIFDPLVDVLPVIPVLFFALAFVVQAAVGFR 1 +11 UNP PSBL_THEVL P12241 ? 11 MEPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN 1 +12 UNP PSBM_THEVL P12312 ? 12 MEVNQLGFIATALFVLVPSVFLIILYVQTESQQKSS 1 +13 UNP PSBO_THEVL D0VWR2 ? 13 +;QTLTYDDIVGTGLANKCPTLDDTARGAYPIDSSQTYRIARLCLQPTTFLVKEEPKNKRQEAEFVPTKLVTRETTSLDQIQ +GELKVNSDGSLTFVEEDGIDFQPVTVQMAGGERIPLLFTVKNLVASTQPNVTSITTSTDFKGEFNVPSYRTANFLDPKGR +GLASGYDSAIALPQAKEEELARANVKRFSLTKGQISLNVAKVDGRTGEIAGTFESEQLSDDDMGAHEPHEVKIQGVFYAS +IEPA +; +1 +14 UNP PSBT_THEVL P12313 ? 14 METITYVFIFACIIALFFFAIFFREPPRITKK 1 +15 UNP PSBU_THEVL P56152 ? 15 +;ATASTEEELVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLE +HFTVTEVETALVEGGDRYNNGLYK +; +1 +16 UNP CY550_THEVL P0A387 ? 16 +;AELTPEVLTVPLNSEGKTITLTEKQYLEGKRLFQYACASCHVGGITKTNPSLDLRTETLALATPPRDNIEGLVDYMKNPT +TYDGEQEIAEVHPSLRSADIFPKMRNLTEKDLVAIAGHILVEPKILGDKWGGGKVYY +; +27 +17 UNP PSBX_THEVL D0VWR4 ? 17 TITPSLKGFFIGLLSGAVVLGLTFAVLIAISQIDKVQRSL 1 +18 UNP YCF12_THEVL D0VWR3 ? 18 EVIAQLTMIAMIGIAGPMIIFLLAVRRGNL 1 +19 UNP PSBZ_THEVL D0VWR5 ? 19 MTILFQLALAALVILSFVMVIGVPVAYASPQDWDRSKQLIFLGSGLWIALVLVVGVLNFFVV 1 +20 UNP PSBY_THEVL P0DM37 ? 20 DWRVLVVLLPVLLAAGWAVRNILPYAVKQVQKLL 1 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 8IRA A 1 ? 344 ? P51765 1 ? 344 ? 1 344 +2 2 8IRA B 1 ? 505 ? D0VWR1 1 ? 505 ? 2 506 +3 3 8IRA C 5 ? 455 ? D0VWR7 1 ? 451 ? 23 473 +4 4 8IRA D 1 ? 342 ? D0VWR8 1 ? 342 ? 11 352 +5 5 8IRA E 1 ? 84 ? P12238 1 ? 84 ? 1 84 +6 6 8IRA F 1 ? 44 ? P12239 2 ? 45 ? 2 45 +7 7 8IRA H 1 ? 65 ? P19052 1 ? 65 ? 2 66 +8 8 8IRA I 1 ? 38 ? P12240 1 ? 38 ? 1 38 +9 9 8IRA J 1 ? 39 ? Q7DGD4 2 ? 40 ? 1 39 +10 10 8IRA K 1 ? 37 ? P19054 1 ? 37 ? 10 46 +11 11 8IRA L 1 ? 37 ? P12241 1 ? 37 ? 1 37 +12 12 8IRA M 1 ? 36 ? P12312 1 ? 36 ? 1 36 +13 13 8IRA O 1 ? 244 ? D0VWR2 1 ? 244 ? 3 246 +14 14 8IRA T 1 ? 32 ? P12313 1 ? 32 ? 1 32 +15 15 8IRA U 1 ? 104 ? P56152 1 ? 104 ? 1 104 +16 16 8IRA V 1 ? 137 ? P0A387 27 ? 163 ? 1 137 +17 17 8IRA X 1 ? 40 ? D0VWR4 1 ? 40 ? 2 41 +18 18 8IRA Y 1 ? 30 ? D0VWR3 1 ? 30 ? 17 46 +19 1 8IRA a 1 ? 344 ? P51765 1 ? 344 ? 1 344 +20 2 8IRA b 1 ? 505 ? D0VWR1 1 ? 505 ? 2 506 +21 3 8IRA c 5 ? 455 ? D0VWR7 1 ? 451 ? 23 473 +22 4 8IRA d 1 ? 342 ? D0VWR8 1 ? 342 ? 11 352 +23 5 8IRA e 1 ? 84 ? P12238 1 ? 84 ? 1 84 +24 6 8IRA f 1 ? 44 ? P12239 2 ? 45 ? 2 45 +25 7 8IRA h 1 ? 65 ? P19052 1 ? 65 ? 2 66 +26 8 8IRA i 1 ? 38 ? P12240 1 ? 38 ? 1 38 +27 9 8IRA j 1 ? 39 ? Q7DGD4 2 ? 40 ? 1 39 +28 10 8IRA k 1 ? 37 ? P19054 1 ? 37 ? 10 46 +29 11 8IRA l 1 ? 37 ? P12241 1 ? 37 ? 1 37 +30 12 8IRA m 1 ? 36 ? P12312 1 ? 36 ? 1 36 +31 13 8IRA o 1 ? 244 ? D0VWR2 1 ? 244 ? 3 246 +32 14 8IRA t 1 ? 32 ? P12313 1 ? 32 ? 1 32 +33 15 8IRA u 1 ? 104 ? P56152 1 ? 104 ? 1 104 +34 16 8IRA v 1 ? 137 ? P0A387 27 ? 163 ? 1 137 +35 17 8IRA x 1 ? 40 ? D0VWR4 1 ? 40 ? 2 41 +36 18 8IRA y 1 ? 30 ? D0VWR3 1 ? 30 ? 17 46 +37 19 8IRA Z 1 ? 62 ? D0VWR5 1 ? 62 ? 1 62 +38 20 8IRA R 1 ? 34 ? P0DM37 1 ? 34 ? 2 35 +39 19 8IRA z 1 ? 62 ? D0VWR5 1 ? 62 ? 1 62 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 8IRA PRO A 279 ? UNP P51765 ARG 279 conflict 279 1 +3 8IRA ASN C 1 ? UNP D0VWR7 ? ? 'expression tag' 19 2 +3 8IRA SER C 2 ? UNP D0VWR7 ? ? 'expression tag' 20 3 +3 8IRA ILE C 3 ? UNP D0VWR7 ? ? 'expression tag' 21 4 +3 8IRA PHE C 4 ? UNP D0VWR7 ? ? 'expression tag' 22 5 +10 8IRA LEU K 24 ? UNP P19054 PHE 24 conflict 33 6 +10 8IRA TRP K 30 ? UNP P19054 VAL 30 conflict 39 7 +12 8IRA LEU M 8 ? UNP P12312 PHE 8 conflict 8 8 +19 8IRA PRO a 279 ? UNP P51765 ARG 279 conflict 279 9 +21 8IRA ASN c 1 ? UNP D0VWR7 ? ? 'expression tag' 19 10 +21 8IRA SER c 2 ? UNP D0VWR7 ? ? 'expression tag' 20 11 +21 8IRA ILE c 3 ? UNP D0VWR7 ? ? 'expression tag' 21 12 +21 8IRA PHE c 4 ? UNP D0VWR7 ? ? 'expression tag' 22 13 +28 8IRA LEU k 24 ? UNP P19054 PHE 24 conflict 33 14 +28 8IRA TRP k 30 ? UNP P19054 VAL 30 conflict 39 15 +30 8IRA LEU m 8 ? UNP P12312 PHE 8 conflict 8 16 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details 39-meric +_pdbx_struct_assembly.oligomeric_count 39 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list +;A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA,LA,MA,NA,OA,PA,QA,RA,SA,TA,UA,VA,WA,XA,YA,ZA,AB,BB,CB,DB,EB,FB,GB,HB,IB,JB,KB,LB,MB,NB,OB,PB,QB,RB,SB,TB,UB,VB,WB,XB,YB,ZB,AC,BC,CC,DC,EC,FC,GC,HC,IC,JC,KC,LC,MC,NC,OC,PC,QC,RC,SC,TC,UC,VC,WC,XC,YC,ZC,AD,BD,CD,DD,ED,FD,GD,HD,ID,JD,KD,LD,MD,ND,OD,PD,QD,RD,SD,TD,UD,VD,WD,XD,YD,ZD,AE,BE,CE,DE,EE,FE,GE,HE,IE,JE,KE,LE,ME,NE,OE,PE,QE,RE,SE,TE,UE,VE,WE,XE,YE,ZE,AF,BF,CF,DF,EF,FF,GF,HF,IF,JF,KF,LF,MF,NF,OF,PF,QF,RF,SF,TF,UF,VF,WF,XF,YF,ZF,AG,BG,CG,DG,EG,FG,GG,HG,IG,JG,KG,LG,MG,NG,OG,PG,QG,RG,SG,TG,UG,VG,WG,XG,YG,ZG,AH,BH,CH,DH,EH,FH,GH,HH,IH,JH,KH,LH,MH,NH,OH,PH,QH,RH,SH,TH,UH,VH,WH,XH,YH,ZH,AI,BI,CI,DI,EI,FI,GI,HI,II,JI,KI,LI,MI,NI,OI,PI,QI,RI,SI,TI,UI,VI,WI,XI,YI,ZI,AJ,BJ,CJ,DJ,EJ,FJ,GJ,HJ,IJ,JJ,KJ,LJ,MJ,NJ,OJ,PJ,QJ,RJ,SJ,TJ,UJ,VJ,WJ,XJ,YJ,ZJ,AK,BK,CK,DK,EK,FK,GK,HK,IK,JK,KK,LK,MK +; +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support 'gel filtration' +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0 +_pdbx_struct_oper_list.matrix[1][2] 0.0 +_pdbx_struct_oper_list.matrix[1][3] 0.0 +_pdbx_struct_oper_list.vector[1] 0.0 +_pdbx_struct_oper_list.matrix[2][1] 0.0 +_pdbx_struct_oper_list.matrix[2][2] 1.0 +_pdbx_struct_oper_list.matrix[2][3] 0.0 +_pdbx_struct_oper_list.vector[2] 0.0 +_pdbx_struct_oper_list.matrix[3][1] 0.0 +_pdbx_struct_oper_list.matrix[3][2] 0.0 +_pdbx_struct_oper_list.matrix[3][3] 1.0 +_pdbx_struct_oper_list.vector[3] 0.0 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 AA1 ASN A 12 ? THR A 22 ? ASN A 12 THR A 22 1 ? 11 +HELX_P HELX_P2 AA2 VAL A 30 ? ALA A 55 ? VAL A 30 ALA A 55 1 ? 26 +HELX_P HELX_P3 AA3 SER A 70 ? GLY A 74 ? SER A 70 GLY A 74 5 ? 5 +HELX_P HELX_P4 AA4 PRO A 95 ? ALA A 99 ? PRO A 95 ALA A 99 5 ? 5 +HELX_P HELX_P5 AA5 SER A 101 ? ASN A 108 ? SER A 101 ASN A 108 1 ? 8 +HELX_P HELX_P6 AA6 GLY A 109 ? LEU A 137 ? GLY A 109 LEU A 137 1 ? 29 +HELX_P HELX_P7 AA7 TRP A 142 ? LEU A 159 ? TRP A 142 LEU A 159 1 ? 18 +HELX_P HELX_P8 AA8 LEU A 159 ? GLY A 166 ? LEU A 159 GLY A 166 1 ? 8 +HELX_P HELX_P9 AA9 SER A 167 ? GLY A 171 ? SER A 167 GLY A 171 5 ? 5 +HELX_P HELX_P10 AB1 ILE A 176 ? ASN A 191 ? ILE A 176 ASN A 191 1 ? 16 +HELX_P HELX_P11 AB2 ILE A 192 ? MET A 194 ? ILE A 192 MET A 194 5 ? 3 +HELX_P HELX_P12 AB3 HIS A 195 ? SER A 222 ? HIS A 195 SER A 222 1 ? 28 +HELX_P HELX_P13 AB4 SER A 232 ? TYR A 237 ? SER A 232 TYR A 237 5 ? 6 +HELX_P HELX_P14 AB5 ASN A 247 ? ILE A 259 ? ASN A 247 ILE A 259 1 ? 13 +HELX_P HELX_P15 AB6 PHE A 260 ? SER A 264 ? PHE A 260 SER A 264 5 ? 5 +HELX_P HELX_P16 AB7 ASN A 267 ? ALA A 294 ? ASN A 267 ALA A 294 1 ? 28 +HELX_P HELX_P17 AB8 THR A 316 ? HIS A 332 ? THR A 316 HIS A 332 1 ? 17 +HELX_P HELX_P18 AB9 PRO B 3 ? ILE B 12 ? PRO B 4 ILE B 13 5 ? 10 +HELX_P HELX_P19 AC1 ASP B 14 ? PHE B 44 ? ASP B 15 PHE B 45 1 ? 31 +HELX_P HELX_P20 AC2 PRO B 53 ? GLN B 57 ? PRO B 54 GLN B 58 5 ? 5 +HELX_P HELX_P21 AC3 VAL B 61 ? LEU B 68 ? VAL B 62 LEU B 69 1 ? 8 +HELX_P HELX_P22 AC4 SER B 91 ? TYR B 116 ? SER B 92 TYR B 117 1 ? 26 +HELX_P HELX_P23 AC5 LEU B 119 ? ARG B 123 ? LEU B 120 ARG B 124 5 ? 5 +HELX_P HELX_P24 AC6 ASP B 133 ? HIS B 156 ? ASP B 134 HIS B 157 1 ? 24 +HELX_P HELX_P25 AC7 GLY B 185 ? ASN B 190 ? GLY B 186 ASN B 191 5 ? 6 +HELX_P HELX_P26 AC8 ASN B 193 ? VAL B 218 ? ASN B 194 VAL B 219 1 ? 26 +HELX_P HELX_P27 AC9 PRO B 221 ? ARG B 229 ? PRO B 222 ARG B 230 1 ? 9 +HELX_P HELX_P28 AD1 ASN B 232 ? GLY B 258 ? ASN B 233 GLY B 259 1 ? 27 +HELX_P HELX_P29 AD2 PRO B 263 ? GLY B 268 ? PRO B 264 GLY B 269 1 ? 6 +HELX_P HELX_P30 AD3 THR B 270 ? SER B 276 ? THR B 271 SER B 277 1 ? 7 +HELX_P HELX_P31 AD4 SER B 277 ? SER B 293 ? SER B 278 SER B 294 1 ? 17 +HELX_P HELX_P32 AD5 THR B 296 ? ALA B 303 ? THR B 297 ALA B 304 1 ? 8 +HELX_P HELX_P33 AD6 PRO B 305 ? ASP B 312 ? PRO B 306 ASP B 313 1 ? 8 +HELX_P HELX_P34 AD7 TYR B 313 ? ASN B 317 ? TYR B 314 ASN B 318 5 ? 5 +HELX_P HELX_P35 AD8 PRO B 328 ? GLY B 332 ? PRO B 329 GLY B 333 5 ? 5 +HELX_P HELX_P36 AD9 SER B 390 ? GLY B 395 ? SER B 391 GLY B 396 1 ? 6 +HELX_P HELX_P37 AE1 ASP B 412 ? ILE B 424 ? ASP B 413 ILE B 425 1 ? 13 +HELX_P HELX_P38 AE2 SER B 445 ? PHE B 474 ? SER B 446 PHE B 475 1 ? 30 +HELX_P HELX_P39 AE3 ARG B 475 ? PHE B 478 ? ARG B 476 PHE B 479 5 ? 4 +HELX_P HELX_P40 AE4 SER B 486 ? GLU B 491 ? SER B 487 GLU B 492 1 ? 6 +HELX_P HELX_P41 AE5 ASP B 500 ? ARG B 504 ? ASP B 501 ARG B 505 5 ? 5 +HELX_P HELX_P42 AE6 ASP C 9 ? GLY C 14 ? ASP C 27 GLY C 32 1 ? 6 +HELX_P HELX_P43 AE7 ALA C 16 ? ILE C 25 ? ALA C 34 ILE C 43 5 ? 10 +HELX_P HELX_P44 AE8 LEU C 27 ? HIS C 56 ? LEU C 45 HIS C 74 1 ? 30 +HELX_P HELX_P45 AE9 PRO C 62 ? GLN C 66 ? PRO C 80 GLN C 84 5 ? 5 +HELX_P HELX_P46 AF1 ILE C 69 ? LEU C 77 ? ILE C 87 LEU C 95 1 ? 9 +HELX_P HELX_P47 AF2 GLY C 82 ? GLU C 86 ? GLY C 100 GLU C 104 5 ? 5 +HELX_P HELX_P48 AF3 THR C 90 ? ARG C 117 ? THR C 108 ARG C 135 1 ? 28 +HELX_P HELX_P49 AF4 ASP C 135 ? PHE C 164 ? ASP C 153 PHE C 182 1 ? 30 +HELX_P HELX_P50 AF5 ASP C 187 ? TYR C 194 ? ASP C 205 TYR C 212 1 ? 8 +HELX_P HELX_P51 AF6 LEU C 195 ? LYS C 197 ? LEU C 213 LYS C 215 5 ? 3 +HELX_P HELX_P52 AF7 GLY C 204 ? VAL C 209 ? GLY C 222 VAL C 227 5 ? 6 +HELX_P HELX_P53 AF8 ASN C 211 ? THR C 236 ? ASN C 229 THR C 254 1 ? 26 +HELX_P HELX_P54 AF9 PHE C 239 ? PHE C 246 ? PHE C 257 PHE C 264 1 ? 8 +HELX_P HELX_P55 AG1 SER C 249 ? ASN C 275 ? SER C 267 ASN C 293 1 ? 27 +HELX_P HELX_P56 AG2 PRO C 280 ? GLY C 285 ? PRO C 298 GLY C 303 1 ? 6 +HELX_P HELX_P57 AG3 THR C 287 ? LEU C 306 ? THR C 305 LEU C 324 1 ? 20 +HELX_P HELX_P58 AG4 ASN C 309 ? ALA C 313 ? ASN C 327 ALA C 331 5 ? 5 +HELX_P HELX_P59 AG5 GLY C 335 ? TRP C 341 ? GLY C 353 TRP C 359 5 ? 7 +HELX_P HELX_P60 AG6 LEU C 348 ? PRO C 350 ? LEU C 366 PRO C 368 5 ? 3 +HELX_P HELX_P61 AG7 ASP C 358 ? ASP C 365 ? ASP C 376 ASP C 383 1 ? 8 +HELX_P HELX_P62 AG8 GLN C 367 ? THR C 379 ? GLN C 385 THR C 397 1 ? 13 +HELX_P HELX_P63 AG9 SER C 403 ? GLY C 436 ? SER C 421 GLY C 454 1 ? 34 +HELX_P HELX_P64 AH1 ASP C 442 ? MET C 451 ? ASP C 460 MET C 469 5 ? 10 +HELX_P HELX_P65 AH2 GLY D 3 ? LYS D 13 ? GLY D 13 LYS D 23 1 ? 11 +HELX_P HELX_P66 AH3 TRP D 22 ? VAL D 45 ? TRP D 32 VAL D 55 1 ? 24 +HELX_P HELX_P67 AH4 SER D 47 ? GLY D 52 ? SER D 57 GLY D 62 1 ? 6 +HELX_P HELX_P68 AH5 SER D 56 ? GLY D 60 ? SER D 66 GLY D 70 5 ? 5 +HELX_P HELX_P69 AH6 ALA D 72 ? GLY D 76 ? ALA D 82 GLY D 86 5 ? 5 +HELX_P HELX_P70 AH7 ASP D 90 ? LEU D 97 ? ASP D 100 LEU D 107 1 ? 8 +HELX_P HELX_P71 AH8 GLY D 98 ? GLY D 127 ? GLY D 108 GLY D 137 1 ? 30 +HELX_P HELX_P72 AH9 PRO D 130 ? LEU D 148 ? PRO D 140 LEU D 158 1 ? 19 +HELX_P HELX_P73 AI1 LEU D 148 ? GLN D 154 ? LEU D 158 GLN D 164 1 ? 7 +HELX_P HELX_P74 AI2 SER D 156 ? ALA D 160 ? SER D 166 ALA D 170 5 ? 5 +HELX_P HELX_P75 AI3 VAL D 165 ? ASN D 180 ? VAL D 175 ASN D 190 1 ? 16 +HELX_P HELX_P76 AI4 TRP D 181 ? LEU D 183 ? TRP D 191 LEU D 193 5 ? 3 +HELX_P HELX_P77 AI5 ASN D 184 ? ASN D 210 ? ASN D 194 ASN D 220 1 ? 27 +HELX_P HELX_P78 AI6 SER D 220 ? ALA D 224 ? SER D 230 ALA D 234 5 ? 5 +HELX_P HELX_P79 AI7 SER D 235 ? GLY D 248 ? SER D 245 GLY D 258 1 ? 14 +HELX_P HELX_P80 AI8 ASN D 253 ? LEU D 281 ? ASN D 263 LEU D 291 1 ? 29 +HELX_P HELX_P81 AI9 PHE D 288 ? ASP D 298 ? PHE D 298 ASP D 308 1 ? 11 +HELX_P HELX_P82 AJ1 THR D 303 ? GLN D 324 ? THR D 313 GLN D 334 1 ? 22 +HELX_P HELX_P83 AJ2 PRO D 325 ? ASN D 328 ? PRO D 335 ASN D 338 5 ? 4 +HELX_P HELX_P84 AJ3 PRO D 332 ? LEU D 336 ? PRO D 342 LEU D 346 5 ? 5 +HELX_P HELX_P85 AJ4 PRO E 9 ? THR E 15 ? PRO E 9 THR E 15 1 ? 7 +HELX_P HELX_P86 AJ5 SER E 16 ? THR E 40 ? SER E 16 THR E 40 1 ? 25 +HELX_P HELX_P87 AJ6 GLY E 41 ? GLY E 48 ? GLY E 41 GLY E 48 1 ? 8 +HELX_P HELX_P88 AJ7 GLU E 71 ? GLN E 82 ? GLU E 71 GLN E 82 1 ? 12 +HELX_P HELX_P89 AJ8 THR F 16 ? GLN F 40 ? THR F 17 GLN F 41 1 ? 25 +HELX_P HELX_P90 AJ9 THR G 4 ? ARG G 11 ? THR H 5 ARG H 12 1 ? 8 +HELX_P HELX_P91 AK1 PRO G 12 ? SER G 15 ? PRO H 13 SER H 16 5 ? 4 +HELX_P HELX_P92 AK2 THR G 26 ? ASN G 49 ? THR H 27 ASN H 50 1 ? 24 +HELX_P HELX_P93 AK3 SER G 60 ? LEU G 64 ? SER H 61 LEU H 65 5 ? 5 +HELX_P HELX_P94 AK4 GLU H 2 ? SER H 25 ? GLU I 2 SER I 25 1 ? 24 +HELX_P HELX_P95 AK5 GLY H 26 ? ARG H 30 ? GLY I 26 ARG I 30 5 ? 5 +HELX_P HELX_P96 AK6 PRO I 8 ? ALA I 31 ? PRO J 8 ALA J 31 1 ? 24 +HELX_P HELX_P97 AK7 PRO J 3 ? ILE J 8 ? PRO K 12 ILE K 17 5 ? 6 +HELX_P HELX_P98 AK8 PHE J 9 ? ASP J 14 ? PHE K 18 ASP K 23 1 ? 6 +HELX_P HELX_P99 AK9 VAL J 15 ? PRO J 17 ? VAL K 24 PRO K 26 5 ? 3 +HELX_P HELX_P100 AL1 VAL J 18 ? VAL J 34 ? VAL K 27 VAL K 43 1 ? 17 +HELX_P HELX_P101 AL2 ASN K 13 ? ASN K 37 ? ASN L 13 ASN L 37 1 ? 25 +HELX_P HELX_P102 AL3 LEU L 6 ? SER L 31 ? LEU M 6 SER M 31 1 ? 26 +HELX_P HELX_P103 AL4 THR M 4 ? VAL M 9 ? THR O 6 VAL O 11 1 ? 6 +HELX_P HELX_P104 AL5 GLY M 12 ? LYS M 16 ? GLY O 14 LYS O 18 5 ? 5 +HELX_P HELX_P105 AL6 LYS M 176 ? GLU M 179 ? LYS O 178 GLU O 181 5 ? 4 +HELX_P HELX_P106 AL7 LEU M 180 ? VAL M 185 ? LEU O 182 VAL O 187 1 ? 6 +HELX_P HELX_P107 AL8 GLU N 2 ? PHE N 23 ? GLU T 2 PHE T 23 1 ? 22 +HELX_P HELX_P108 AL9 ASN O 11 ? LEU O 17 ? ASN U 11 LEU U 17 1 ? 7 +HELX_P HELX_P109 AM1 GLY O 18 ? GLU O 23 ? GLY U 18 GLU U 23 5 ? 6 +HELX_P HELX_P110 AM2 ASN O 31 ? TYR O 38 ? ASN U 31 TYR U 38 5 ? 8 +HELX_P HELX_P111 AM3 PRO O 43 ? ASN O 52 ? PRO U 43 ASN U 52 1 ? 10 +HELX_P HELX_P112 AM4 SER O 57 ? ILE O 64 ? SER U 57 ILE U 64 5 ? 8 +HELX_P HELX_P113 AM5 THR O 68 ? LEU O 79 ? THR U 68 LEU U 79 1 ? 12 +HELX_P HELX_P114 AM6 GLU O 88 ? GLU O 93 ? GLU U 88 GLU U 93 1 ? 6 +HELX_P HELX_P115 AM7 GLY O 94 ? ASP O 96 ? GLY U 94 ASP U 96 5 ? 3 +HELX_P HELX_P116 AM8 THR P 22 ? CYS P 37 ? THR V 22 CYS V 37 1 ? 16 +HELX_P HELX_P117 AM9 CYS P 37 ? VAL P 42 ? CYS V 37 VAL V 42 1 ? 6 +HELX_P HELX_P118 AN1 GLY P 43 ? ILE P 45 ? GLY V 43 ILE V 45 5 ? 3 +HELX_P HELX_P119 AN2 ARG P 55 ? LEU P 61 ? ARG V 55 LEU V 61 1 ? 7 +HELX_P HELX_P120 AN3 ASN P 68 ? ASN P 78 ? ASN V 68 ASN V 78 1 ? 11 +HELX_P HELX_P121 AN4 PHE P 101 ? LEU P 107 ? PHE V 101 LEU V 107 5 ? 7 +HELX_P HELX_P122 AN5 THR P 108 ? GLY P 127 ? THR V 108 GLY V 127 1 ? 20 +HELX_P HELX_P123 AN6 ASP P 128 ? TRP P 130 ? ASP V 128 TRP V 130 5 ? 3 +HELX_P HELX_P124 AN7 GLY P 132 ? TYR P 137 ? GLY V 132 TYR V 137 5 ? 6 +HELX_P HELX_P125 AN8 THR Q 3 ? ASP Q 34 ? THR X 4 ASP X 35 1 ? 32 +HELX_P HELX_P126 AN9 ILE R 3 ? ARG R 26 ? ILE Y 19 ARG Y 42 1 ? 24 +HELX_P HELX_P127 AO1 ASN S 12 ? THR S 22 ? ASN a 12 THR a 22 1 ? 11 +HELX_P HELX_P128 AO2 VAL S 30 ? ALA S 55 ? VAL a 30 ALA a 55 1 ? 26 +HELX_P HELX_P129 AO3 SER S 70 ? GLY S 74 ? SER a 70 GLY a 74 5 ? 5 +HELX_P HELX_P130 AO4 PRO S 95 ? ALA S 99 ? PRO a 95 ALA a 99 5 ? 5 +HELX_P HELX_P131 AO5 SER S 101 ? ASN S 108 ? SER a 101 ASN a 108 1 ? 8 +HELX_P HELX_P132 AO6 GLY S 109 ? LEU S 137 ? GLY a 109 LEU a 137 1 ? 29 +HELX_P HELX_P133 AO7 TRP S 142 ? LEU S 159 ? TRP a 142 LEU a 159 1 ? 18 +HELX_P HELX_P134 AO8 LEU S 159 ? GLY S 166 ? LEU a 159 GLY a 166 1 ? 8 +HELX_P HELX_P135 AO9 SER S 167 ? GLY S 171 ? SER a 167 GLY a 171 5 ? 5 +HELX_P HELX_P136 AP1 ILE S 176 ? ASN S 191 ? ILE a 176 ASN a 191 1 ? 16 +HELX_P HELX_P137 AP2 ILE S 192 ? MET S 194 ? ILE a 192 MET a 194 5 ? 3 +HELX_P HELX_P138 AP3 HIS S 195 ? SER S 222 ? HIS a 195 SER a 222 1 ? 28 +HELX_P HELX_P139 AP4 SER S 232 ? TYR S 237 ? SER a 232 TYR a 237 5 ? 6 +HELX_P HELX_P140 AP5 ASN S 247 ? ILE S 259 ? ASN a 247 ILE a 259 1 ? 13 +HELX_P HELX_P141 AP6 PHE S 260 ? SER S 264 ? PHE a 260 SER a 264 5 ? 5 +HELX_P HELX_P142 AP7 ASN S 267 ? ALA S 294 ? ASN a 267 ALA a 294 1 ? 28 +HELX_P HELX_P143 AP8 THR S 316 ? HIS S 332 ? THR a 316 HIS a 332 1 ? 17 +HELX_P HELX_P144 AP9 PRO T 3 ? ILE T 12 ? PRO b 4 ILE b 13 5 ? 10 +HELX_P HELX_P145 AQ1 ASP T 14 ? PHE T 44 ? ASP b 15 PHE b 45 1 ? 31 +HELX_P HELX_P146 AQ2 PRO T 53 ? GLN T 57 ? PRO b 54 GLN b 58 5 ? 5 +HELX_P HELX_P147 AQ3 VAL T 61 ? LEU T 68 ? VAL b 62 LEU b 69 1 ? 8 +HELX_P HELX_P148 AQ4 SER T 91 ? TYR T 116 ? SER b 92 TYR b 117 1 ? 26 +HELX_P HELX_P149 AQ5 LEU T 119 ? ARG T 123 ? LEU b 120 ARG b 124 5 ? 5 +HELX_P HELX_P150 AQ6 ASP T 133 ? PHE T 155 ? ASP b 134 PHE b 156 1 ? 23 +HELX_P HELX_P151 AQ7 GLY T 185 ? ASN T 190 ? GLY b 186 ASN b 191 5 ? 6 +HELX_P HELX_P152 AQ8 ASN T 193 ? VAL T 218 ? ASN b 194 VAL b 219 1 ? 26 +HELX_P HELX_P153 AQ9 PRO T 221 ? LEU T 228 ? PRO b 222 LEU b 229 1 ? 8 +HELX_P HELX_P154 AR1 ASN T 232 ? GLY T 258 ? ASN b 233 GLY b 259 1 ? 27 +HELX_P HELX_P155 AR2 PRO T 263 ? GLY T 268 ? PRO b 264 GLY b 269 1 ? 6 +HELX_P HELX_P156 AR3 THR T 270 ? SER T 276 ? THR b 271 SER b 277 1 ? 7 +HELX_P HELX_P157 AR4 SER T 277 ? SER T 293 ? SER b 278 SER b 294 1 ? 17 +HELX_P HELX_P158 AR5 THR T 296 ? ALA T 303 ? THR b 297 ALA b 304 1 ? 8 +HELX_P HELX_P159 AR6 PRO T 305 ? ASP T 312 ? PRO b 306 ASP b 313 1 ? 8 +HELX_P HELX_P160 AR7 TYR T 313 ? GLY T 321 ? TYR b 314 GLY b 322 5 ? 9 +HELX_P HELX_P161 AR8 PRO T 328 ? GLY T 332 ? PRO b 329 GLY b 333 5 ? 5 +HELX_P HELX_P162 AR9 SER T 390 ? GLY T 395 ? SER b 391 GLY b 396 1 ? 6 +HELX_P HELX_P163 AS1 ASP T 412 ? ILE T 424 ? ASP b 413 ILE b 425 1 ? 13 +HELX_P HELX_P164 AS2 SER T 445 ? PHE T 474 ? SER b 446 PHE b 475 1 ? 30 +HELX_P HELX_P165 AS3 ARG T 475 ? PHE T 478 ? ARG b 476 PHE b 479 5 ? 4 +HELX_P HELX_P166 AS4 SER T 486 ? GLU T 491 ? SER b 487 GLU b 492 1 ? 6 +HELX_P HELX_P167 AS5 ASP T 500 ? ARG T 504 ? ASP b 501 ARG b 505 5 ? 5 +HELX_P HELX_P168 AS6 ASP U 9 ? GLY U 14 ? ASP c 27 GLY c 32 1 ? 6 +HELX_P HELX_P169 AS7 ALA U 16 ? ILE U 25 ? ALA c 34 ILE c 43 5 ? 10 +HELX_P HELX_P170 AS8 LEU U 27 ? PHE U 57 ? LEU c 45 PHE c 75 1 ? 31 +HELX_P HELX_P171 AS9 PRO U 62 ? GLN U 66 ? PRO c 80 GLN c 84 5 ? 5 +HELX_P HELX_P172 AT1 LEU U 70 ? LEU U 77 ? LEU c 88 LEU c 95 1 ? 8 +HELX_P HELX_P173 AT2 GLY U 82 ? GLU U 86 ? GLY c 100 GLU c 104 5 ? 5 +HELX_P HELX_P174 AT3 THR U 90 ? ARG U 117 ? THR c 108 ARG c 135 1 ? 28 +HELX_P HELX_P175 AT4 ASP U 135 ? PHE U 164 ? ASP c 153 PHE c 182 1 ? 30 +HELX_P HELX_P176 AT5 ASP U 187 ? PHE U 192 ? ASP c 205 PHE c 210 1 ? 6 +HELX_P HELX_P177 AT6 GLY U 204 ? VAL U 209 ? GLY c 222 VAL c 227 5 ? 6 +HELX_P HELX_P178 AT7 ASN U 211 ? THR U 236 ? ASN c 229 THR c 254 1 ? 26 +HELX_P HELX_P179 AT8 PHE U 239 ? PHE U 246 ? PHE c 257 PHE c 264 1 ? 8 +HELX_P HELX_P180 AT9 SER U 249 ? ASN U 275 ? SER c 267 ASN c 293 1 ? 27 +HELX_P HELX_P181 AU1 PRO U 280 ? GLY U 285 ? PRO c 298 GLY c 303 1 ? 6 +HELX_P HELX_P182 AU2 THR U 287 ? LEU U 306 ? THR c 305 LEU c 324 1 ? 20 +HELX_P HELX_P183 AU3 GLY U 335 ? TRP U 341 ? GLY c 353 TRP c 359 5 ? 7 +HELX_P HELX_P184 AU4 LEU U 348 ? PRO U 350 ? LEU c 366 PRO c 368 5 ? 3 +HELX_P HELX_P185 AU5 ASP U 358 ? ASP U 365 ? ASP c 376 ASP c 383 1 ? 8 +HELX_P HELX_P186 AU6 GLN U 367 ? THR U 379 ? GLN c 385 THR c 397 1 ? 13 +HELX_P HELX_P187 AU7 SER U 403 ? GLY U 436 ? SER c 421 GLY c 454 1 ? 34 +HELX_P HELX_P188 AU8 ASP U 442 ? MET U 451 ? ASP c 460 MET c 469 5 ? 10 +HELX_P HELX_P189 AU9 GLY V 3 ? LYS V 13 ? GLY d 13 LYS d 23 1 ? 11 +HELX_P HELX_P190 AV1 VAL V 20 ? VAL V 45 ? VAL d 30 VAL d 55 1 ? 26 +HELX_P HELX_P191 AV2 SER V 47 ? GLY V 52 ? SER d 57 GLY d 62 1 ? 6 +HELX_P HELX_P192 AV3 ALA V 72 ? GLY V 76 ? ALA d 82 GLY d 86 5 ? 5 +HELX_P HELX_P193 AV4 ASP V 90 ? LEU V 97 ? ASP d 100 LEU d 107 1 ? 8 +HELX_P HELX_P194 AV5 GLY V 98 ? GLY V 127 ? GLY d 108 GLY d 137 1 ? 30 +HELX_P HELX_P195 AV6 PRO V 130 ? LEU V 148 ? PRO d 140 LEU d 158 1 ? 19 +HELX_P HELX_P196 AV7 LEU V 148 ? GLN V 154 ? LEU d 158 GLN d 164 1 ? 7 +HELX_P HELX_P197 AV8 SER V 156 ? ALA V 160 ? SER d 166 ALA d 170 5 ? 5 +HELX_P HELX_P198 AV9 VAL V 165 ? ASN V 180 ? VAL d 175 ASN d 190 1 ? 16 +HELX_P HELX_P199 AW1 TRP V 181 ? LEU V 183 ? TRP d 191 LEU d 193 5 ? 3 +HELX_P HELX_P200 AW2 ASN V 184 ? THR V 211 ? ASN d 194 THR d 221 1 ? 28 +HELX_P HELX_P201 AW3 SER V 235 ? GLY V 248 ? SER d 245 GLY d 258 1 ? 14 +HELX_P HELX_P202 AW4 ASN V 253 ? LEU V 281 ? ASN d 263 LEU d 291 1 ? 29 +HELX_P HELX_P203 AW5 PHE V 288 ? ASP V 298 ? PHE d 298 ASP d 308 1 ? 11 +HELX_P HELX_P204 AW6 THR V 303 ? GLN V 324 ? THR d 313 GLN d 334 1 ? 22 +HELX_P HELX_P205 AW7 PRO V 325 ? ASN V 328 ? PRO d 335 ASN d 338 5 ? 4 +HELX_P HELX_P206 AW8 PRO V 332 ? LEU V 336 ? PRO d 342 LEU d 346 5 ? 5 +HELX_P HELX_P207 AW9 PRO W 9 ? ILE W 14 ? PRO e 9 ILE e 14 1 ? 6 +HELX_P HELX_P208 AX1 SER W 16 ? THR W 40 ? SER e 16 THR e 40 1 ? 25 +HELX_P HELX_P209 AX2 GLY W 41 ? GLY W 48 ? GLY e 41 GLY e 48 1 ? 8 +HELX_P HELX_P210 AX3 GLU W 71 ? GLN W 82 ? GLU e 71 GLN e 82 1 ? 12 +HELX_P HELX_P211 AX4 THR X 16 ? GLN X 40 ? THR f 17 GLN f 41 1 ? 25 +HELX_P HELX_P212 AX5 THR Y 4 ? ARG Y 11 ? THR h 5 ARG h 12 1 ? 8 +HELX_P HELX_P213 AX6 PRO Y 12 ? SER Y 15 ? PRO h 13 SER h 16 5 ? 4 +HELX_P HELX_P214 AX7 THR Y 26 ? ASN Y 49 ? THR h 27 ASN h 50 1 ? 24 +HELX_P HELX_P215 AX8 SER Y 60 ? LEU Y 64 ? SER h 61 LEU h 65 5 ? 5 +HELX_P HELX_P216 AX9 GLU Z 2 ? SER Z 25 ? GLU i 2 SER i 25 1 ? 24 +HELX_P HELX_P217 AY1 GLY Z 26 ? ARG Z 30 ? GLY i 26 ARG i 30 5 ? 5 +HELX_P HELX_P218 AY2 PRO AA 8 ? ALA AA 31 ? PRO j 8 ALA j 31 1 ? 24 +HELX_P HELX_P219 AY3 PRO BA 3 ? ILE BA 8 ? PRO k 12 ILE k 17 5 ? 6 +HELX_P HELX_P220 AY4 PHE BA 9 ? LEU BA 16 ? PHE k 18 LEU k 25 1 ? 8 +HELX_P HELX_P221 AY5 VAL BA 18 ? VAL BA 34 ? VAL k 27 VAL k 43 1 ? 17 +HELX_P HELX_P222 AY6 ASN CA 13 ? ASN CA 37 ? ASN l 13 ASN l 37 1 ? 25 +HELX_P HELX_P223 AY7 LEU DA 6 ? SER DA 31 ? LEU m 6 SER m 31 1 ? 26 +HELX_P HELX_P224 AY8 THR EA 4 ? VAL EA 9 ? THR o 6 VAL o 11 1 ? 6 +HELX_P HELX_P225 AY9 GLY EA 12 ? LYS EA 16 ? GLY o 14 LYS o 18 5 ? 5 +HELX_P HELX_P226 AZ1 LYS EA 176 ? GLU EA 179 ? LYS o 178 GLU o 181 5 ? 4 +HELX_P HELX_P227 AZ2 LEU EA 180 ? VAL EA 185 ? LEU o 182 VAL o 187 1 ? 6 +HELX_P HELX_P228 AZ3 GLU FA 2 ? PHE FA 23 ? GLU t 2 PHE t 23 1 ? 22 +HELX_P HELX_P229 AZ4 ASN GA 11 ? LEU GA 17 ? ASN u 11 LEU u 17 1 ? 7 +HELX_P HELX_P230 AZ5 GLY GA 18 ? GLU GA 23 ? GLY u 18 GLU u 23 5 ? 6 +HELX_P HELX_P231 AZ6 ASN GA 31 ? TYR GA 38 ? ASN u 31 TYR u 38 5 ? 8 +HELX_P HELX_P232 AZ7 PRO GA 43 ? ALA GA 53 ? PRO u 43 ALA u 53 1 ? 11 +HELX_P HELX_P233 AZ8 SER GA 57 ? ILE GA 64 ? SER u 57 ILE u 64 5 ? 8 +HELX_P HELX_P234 AZ9 THR GA 68 ? LEU GA 79 ? THR u 68 LEU u 79 1 ? 12 +HELX_P HELX_P235 BA1 GLU GA 88 ? GLU GA 93 ? GLU u 88 GLU u 93 1 ? 6 +HELX_P HELX_P236 BA2 GLY GA 94 ? ASP GA 96 ? GLY u 94 ASP u 96 5 ? 3 +HELX_P HELX_P237 BA3 THR HA 22 ? CYS HA 37 ? THR v 22 CYS v 37 1 ? 16 +HELX_P HELX_P238 BA4 CYS HA 37 ? VAL HA 42 ? CYS v 37 VAL v 42 1 ? 6 +HELX_P HELX_P239 BA5 GLY HA 43 ? ILE HA 45 ? GLY v 43 ILE v 45 5 ? 3 +HELX_P HELX_P240 BA6 ARG HA 55 ? LEU HA 61 ? ARG v 55 LEU v 61 1 ? 7 +HELX_P HELX_P241 BA7 ASN HA 68 ? ASN HA 78 ? ASN v 68 ASN v 78 1 ? 11 +HELX_P HELX_P242 BA8 SER HA 94 ? ALA HA 98 ? SER v 94 ALA v 98 5 ? 5 +HELX_P HELX_P243 BA9 PHE HA 101 ? ARG HA 105 ? PHE v 101 ARG v 105 5 ? 5 +HELX_P HELX_P244 BB1 THR HA 108 ? GLY HA 127 ? THR v 108 GLY v 127 1 ? 20 +HELX_P HELX_P245 BB2 ASP HA 128 ? TRP HA 130 ? ASP v 128 TRP v 130 5 ? 3 +HELX_P HELX_P246 BB3 GLY HA 132 ? TYR HA 137 ? GLY v 132 TYR v 137 5 ? 6 +HELX_P HELX_P247 BB4 THR IA 3 ? ASP IA 34 ? THR x 4 ASP x 35 1 ? 32 +HELX_P HELX_P248 BB5 ILE JA 3 ? ARG JA 26 ? ILE y 19 ARG y 42 1 ? 24 +HELX_P HELX_P249 BB6 THR KA 2 ? ALA KA 28 ? THR Z 2 ALA Z 28 1 ? 27 +HELX_P HELX_P250 BB7 TRP KA 33 ? VAL KA 62 ? TRP Z 33 VAL Z 62 1 ? 30 +HELX_P HELX_P251 BB8 TRP LA 2 ? LEU LA 33 ? TRP R 3 LEU R 34 1 ? 32 +HELX_P HELX_P252 BB9 THR MA 2 ? ALA MA 28 ? THR z 2 ALA z 28 1 ? 27 +HELX_P HELX_P253 BC1 TRP MA 33 ? VAL MA 62 ? TRP z 33 VAL z 62 1 ? 30 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +disulf1 disulf ? ? M CYS 17 SG ? ? ? 1_555 M CYS 42 SG ? ? O CYS 19 O CYS 44 1_555 ? ? ? ? ? ? ? 2.021 ? ? +disulf2 disulf ? ? EA CYS 17 SG ? ? ? 1_555 EA CYS 42 SG ? ? o CYS 19 o CYS 44 1_555 ? ? ? ? ? ? ? 2.000 ? ? +covale1 covale both ? H FME 1 C ? ? ? 1_555 H GLU 2 N ? ? I FME 1 I GLU 2 1_555 ? ? ? ? ? ? ? 1.329 ? ? +covale2 covale both ? L FME 1 C ? ? ? 1_555 L GLU 2 N ? ? M FME 1 M GLU 2 1_555 ? ? ? ? ? ? ? 1.326 ? ? +covale3 covale both ? N FME 1 C ? ? ? 1_555 N GLU 2 N ? ? T FME 1 T GLU 2 1_555 ? ? ? ? ? ? ? 1.330 ? ? +covale4 covale none ? P CYS 37 SG ? ? ? 1_555 QE HEC . CAB ? ? V CYS 37 V HEC 201 1_555 ? ? ? ? ? ? ? 1.675 ? ? +covale5 covale none ? P CYS 40 SG ? ? ? 1_555 QE HEC . CAC ? ? V CYS 40 V HEC 201 1_555 ? ? ? ? ? ? ? 1.858 ? ? +covale6 covale both ? Z FME 1 C ? ? ? 1_555 Z GLU 2 N ? ? i FME 1 i GLU 2 1_555 ? ? ? ? ? ? ? 1.328 ? ? +covale7 covale both ? DA FME 1 C ? ? ? 1_555 DA GLU 2 N ? ? m FME 1 m GLU 2 1_555 ? ? ? ? ? ? ? 1.324 ? ? +covale8 covale both ? FA FME 1 C ? ? ? 1_555 FA GLU 2 N ? ? t FME 1 t GLU 2 1_555 ? ? ? ? ? ? ? 1.338 ? ? +covale9 covale none ? HA CYS 37 SG ? ? ? 1_555 YI HEC . CAB ? ? v CYS 37 v HEC 201 1_555 ? ? ? ? ? ? ? 1.676 ? ? +covale10 covale none ? HA CYS 40 SG ? ? ? 1_555 YI HEC . CAC ? ? v CYS 40 v HEC 201 1_555 ? ? ? ? ? ? ? 1.846 ? ? +metalc1 metalc ? ? A ASP 170 OD1 A ? ? 1_555 ZA OEX . CA1 A ? A ASP 170 A OEX 413 1_555 ? ? ? ? ? ? ? 2.445 ? ? +metalc2 metalc ? ? A ASP 170 OD1 B ? ? 1_555 ZA OEX . CA1 B ? A ASP 170 A OEX 413 1_555 ? ? ? ? ? ? ? 2.461 ? ? +metalc3 metalc ? ? A ASP 170 OD2 A ? ? 1_555 ZA OEX . MN4 A ? A ASP 170 A OEX 413 1_555 ? ? ? ? ? ? ? 2.028 ? ? +metalc4 metalc ? ? A ASP 170 OD2 B ? ? 1_555 ZA OEX . MN4 B ? A ASP 170 A OEX 413 1_555 ? ? ? ? ? ? ? 1.904 ? ? +metalc5 metalc ? ? A GLU 189 OE1 A ? ? 1_555 ZA OEX . CA1 A ? A GLU 189 A OEX 413 1_555 ? ? ? ? ? ? ? 2.984 ? ? +metalc6 metalc ? ? A GLU 189 OE1 B ? ? 1_555 ZA OEX . CA1 B ? A GLU 189 A OEX 413 1_555 ? ? ? ? ? ? ? 2.877 ? ? +metalc7 metalc ? ? A GLU 189 OE2 A ? ? 1_555 ZA OEX . MN1 A ? A GLU 189 A OEX 413 1_555 ? ? ? ? ? ? ? 1.784 ? ? +metalc8 metalc ? ? A GLU 189 OE2 B ? ? 1_555 ZA OEX . MN1 B ? A GLU 189 A OEX 413 1_555 ? ? ? ? ? ? ? 1.867 ? ? +metalc9 metalc ? ? A HIS 215 NE2 A ? ? 1_555 NA FE2 . FE A ? A HIS 215 A FE2 401 1_555 ? ? ? ? ? ? ? 2.085 ? ? +metalc10 metalc ? ? A HIS 215 NE2 B ? ? 1_555 NA FE2 . FE B ? A HIS 215 A FE2 401 1_555 ? ? ? ? ? ? ? 2.150 ? ? +metalc11 metalc ? ? A HIS 272 NE2 A ? ? 1_555 NA FE2 . FE A ? A HIS 272 A FE2 401 1_555 ? ? ? ? ? ? ? 2.297 ? ? +metalc12 metalc ? ? A HIS 272 NE2 B ? ? 1_555 NA FE2 . FE B ? A HIS 272 A FE2 401 1_555 ? ? ? ? ? ? ? 2.375 ? ? +metalc13 metalc ? ? A HIS 332 NE2 A ? ? 1_555 ZA OEX . MN1 A ? A HIS 332 A OEX 413 1_555 ? ? ? ? ? ? ? 2.105 ? ? +metalc14 metalc ? ? A HIS 332 NE2 B ? ? 1_555 ZA OEX . MN1 B ? A HIS 332 A OEX 413 1_555 ? ? ? ? ? ? ? 2.118 ? ? +metalc15 metalc ? ? A GLU 333 OE1 A ? ? 1_555 ZA OEX . MN3 A ? A GLU 333 A OEX 413 1_555 ? ? ? ? ? ? ? 1.948 ? ? +metalc16 metalc ? ? A GLU 333 OE1 B ? ? 1_555 ZA OEX . MN3 B ? A GLU 333 A OEX 413 1_555 ? ? ? ? ? ? ? 1.957 ? ? +metalc17 metalc ? ? A GLU 333 OE2 A ? ? 1_555 ZA OEX . MN4 A ? A GLU 333 A OEX 413 1_555 ? ? ? ? ? ? ? 2.049 ? ? +metalc18 metalc ? ? A GLU 333 OE2 B ? ? 1_555 ZA OEX . MN4 B ? A GLU 333 A OEX 413 1_555 ? ? ? ? ? ? ? 1.863 ? ? +metalc19 metalc ? ? A ASP 342 OD1 A ? ? 1_555 ZA OEX . MN2 A ? A ASP 342 A OEX 413 1_555 ? ? ? ? ? ? ? 2.076 ? ? +metalc20 metalc ? ? A ASP 342 OD1 B ? ? 1_555 ZA OEX . MN2 B ? A ASP 342 A OEX 413 1_555 ? ? ? ? ? ? ? 1.992 ? ? +metalc21 metalc ? ? A ASP 342 OD2 A ? ? 1_555 ZA OEX . MN1 A ? A ASP 342 A OEX 413 1_555 ? ? ? ? ? ? ? 2.149 ? ? +metalc22 metalc ? ? A ASP 342 OD2 B ? ? 1_555 ZA OEX . MN1 B ? A ASP 342 A OEX 413 1_555 ? ? ? ? ? ? ? 2.072 ? ? +metalc23 metalc ? ? A ALA 344 O A ? ? 1_555 ZA OEX . CA1 A ? A ALA 344 A OEX 413 1_555 ? ? ? ? ? ? ? 2.470 ? ? +metalc24 metalc ? ? A ALA 344 O B ? ? 1_555 ZA OEX . CA1 B ? A ALA 344 A OEX 413 1_555 ? ? ? ? ? ? ? 2.499 ? ? +metalc25 metalc ? ? A ALA 344 OXT A ? ? 1_555 ZA OEX . MN2 A ? A ALA 344 A OEX 413 1_555 ? ? ? ? ? ? ? 1.898 ? ? +metalc26 metalc ? ? A ALA 344 OXT B ? ? 1_555 ZA OEX . MN2 B ? A ALA 344 A OEX 413 1_555 ? ? ? ? ? ? ? 1.818 ? ? +metalc27 metalc ? ? NA FE2 . FE A ? ? 1_555 D HIS 204 NE2 A ? A FE2 401 D HIS 214 1_555 ? ? ? ? ? ? ? 2.134 ? ? +metalc28 metalc ? ? NA FE2 . FE B ? ? 1_555 D HIS 204 NE2 B ? A FE2 401 D HIS 214 1_555 ? ? ? ? ? ? ? 2.144 ? ? +metalc29 metalc ? ? NA FE2 . FE A ? ? 1_555 D HIS 258 NE2 A ? A FE2 401 D HIS 268 1_555 ? ? ? ? ? ? ? 2.243 ? ? +metalc30 metalc ? ? NA FE2 . FE B ? ? 1_555 D HIS 258 NE2 B ? A FE2 401 D HIS 268 1_555 ? ? ? ? ? ? ? 2.257 ? ? +metalc31 metalc ? ? NA FE2 . FE A ? ? 1_555 KD BCT . O2 A ? A FE2 401 D BCT 401 1_555 ? ? ? ? ? ? ? 2.179 ? ? +metalc32 metalc ? ? NA FE2 . FE A ? ? 1_555 KD BCT . O1 A ? A FE2 401 D BCT 401 1_555 ? ? ? ? ? ? ? 2.130 ? ? +metalc33 metalc ? ? NA FE2 . FE B ? ? 1_555 KD BCT . O2 B ? A FE2 401 D BCT 401 1_555 ? ? ? ? ? ? ? 2.276 ? ? +metalc34 metalc ? ? NA FE2 . FE B ? ? 1_555 KD BCT . O1 B ? A FE2 401 D BCT 401 1_555 ? ? ? ? ? ? ? 2.354 ? ? +metalc35 metalc ? ? RA CLA . MG A ? ? 1_555 EJ HOH . O A ? A CLA 405 A HOH 585 1_555 ? ? ? ? ? ? ? 2.192 ? ? +metalc36 metalc ? ? RA CLA . MG B ? ? 1_555 EJ HOH . O B ? A CLA 405 A HOH 585 1_555 ? ? ? ? ? ? ? 2.197 ? ? +metalc37 metalc ? ? SA CLA . MG A ? ? 1_555 EJ HOH . O ? ? A CLA 406 A HOH 628 1_555 ? ? ? ? ? ? ? 2.184 ? ? +metalc38 metalc ? ? SA CLA . MG B ? ? 1_555 EJ HOH . O ? ? A CLA 406 A HOH 628 1_555 ? ? ? ? ? ? ? 2.186 ? ? +metalc39 metalc ? ? ZA OEX . CA1 A ? ? 1_555 EJ HOH . O A ? A OEX 413 A HOH 514 1_555 ? ? ? ? ? ? ? 2.410 ? ? +metalc40 metalc ? ? ZA OEX . CA1 B ? ? 1_555 EJ HOH . O B ? A OEX 413 A HOH 514 1_555 ? ? ? ? ? ? ? 2.403 ? ? +metalc41 metalc ? ? ZA OEX . MN4 A ? ? 1_555 EJ HOH . O A ? A OEX 413 A HOH 537 1_555 ? ? ? ? ? ? ? 2.059 ? ? +metalc42 metalc ? ? ZA OEX . MN4 B ? ? 1_555 EJ HOH . O B ? A OEX 413 A HOH 537 1_555 ? ? ? ? ? ? ? 2.012 ? ? +metalc43 metalc ? ? ZA OEX . MN4 A ? ? 1_555 EJ HOH . O A ? A OEX 413 A HOH 547 1_555 ? ? ? ? ? ? ? 2.269 ? ? +metalc44 metalc ? ? ZA OEX . MN4 B ? ? 1_555 EJ HOH . O B ? A OEX 413 A HOH 547 1_555 ? ? ? ? ? ? ? 2.182 ? ? +metalc45 metalc ? ? ZA OEX . CA1 A ? ? 1_555 EJ HOH . O A ? A OEX 413 A HOH 624 1_555 ? ? ? ? ? ? ? 2.423 ? ? +metalc46 metalc ? ? ZA OEX . CA1 B ? ? 1_555 EJ HOH . O B ? A OEX 413 A HOH 624 1_555 ? ? ? ? ? ? ? 2.491 ? ? +metalc47 metalc ? ? ZA OEX . MN2 A ? ? 1_555 C GLU 336 OE1 A ? A OEX 413 C GLU 354 1_555 ? ? ? ? ? ? ? 2.082 ? ? +metalc48 metalc ? ? ZA OEX . MN2 B ? ? 1_555 C GLU 336 OE1 B ? A OEX 413 C GLU 354 1_555 ? ? ? ? ? ? ? 2.029 ? ? +metalc49 metalc ? ? ZA OEX . MN3 A ? ? 1_555 C GLU 336 OE2 A ? A OEX 413 C GLU 354 1_555 ? ? ? ? ? ? ? 2.009 ? ? +metalc50 metalc ? ? ZA OEX . MN3 B ? ? 1_555 C GLU 336 OE2 B ? A OEX 413 C GLU 354 1_555 ? ? ? ? ? ? ? 1.956 ? ? +metalc51 metalc ? ? HB CLA . MG ? ? ? 1_555 FJ HOH . O ? ? B CLA 601 B HOH 748 1_555 ? ? ? ? ? ? ? 2.192 ? ? +metalc52 metalc ? ? NB CLA . MG ? ? ? 1_555 FJ HOH . O ? ? B CLA 607 B HOH 855 1_555 ? ? ? ? ? ? ? 2.188 ? ? +metalc53 metalc ? ? QB CLA . MG ? ? ? 1_555 FJ HOH . O ? ? B CLA 610 B HOH 710 1_555 ? ? ? ? ? ? ? 2.192 ? ? +metalc54 metalc ? ? C ASN 21 OD1 ? ? ? 1_555 XC CLA . MG ? ? C ASN 39 C CLA 512 1_555 ? ? ? ? ? ? ? 2.189 ? ? +metalc55 metalc ? ? C ASN 137 O ? ? ? 1_555 JD CA . CA ? ? C ASN 155 C CA 524 1_555 ? ? ? ? ? ? ? 2.762 ? ? +metalc56 metalc ? ? C ASN 137 OD1 ? ? ? 1_555 JD CA . CA ? ? C ASN 155 C CA 524 1_555 ? ? ? ? ? ? ? 2.886 ? ? +metalc57 metalc ? ? C THR 140 OG1 ? ? ? 1_555 JD CA . CA ? ? C THR 158 C CA 524 1_555 ? ? ? ? ? ? ? 2.943 ? ? +metalc58 metalc ? ? C THR 141 OG1 ? ? ? 1_555 JD CA . CA ? ? C THR 159 C CA 524 1_555 ? ? ? ? ? ? ? 2.800 ? ? +metalc59 metalc ? ? C HIS 233 O ? ? ? 1_555 JD CA . CA ? ? C HIS 251 C CA 524 1_555 ? ? ? ? ? ? ? 2.776 ? ? +metalc60 metalc ? ? C ILE 234 O ? ? ? 1_555 JD CA . CA ? ? C ILE 252 C CA 524 1_555 ? ? ? ? ? ? ? 3.080 ? ? +metalc61 metalc ? ? C THR 236 O ? ? ? 1_555 JD CA . CA ? ? C THR 254 C CA 524 1_555 ? ? ? ? ? ? ? 2.688 ? ? +metalc62 metalc ? ? QC CLA . MG ? ? ? 1_555 GJ HOH . O ? ? C CLA 505 C HOH 740 1_555 ? ? ? ? ? ? ? 2.188 ? ? +metalc63 metalc ? ? TC CLA . MG ? ? ? 1_555 GJ HOH . O ? ? C CLA 508 C HOH 631 1_555 ? ? ? ? ? ? ? 2.188 ? ? +metalc64 metalc ? ? UD LMG . O4 ? ? ? 1_555 FE MG . MG ? ? D LMG 411 J MG 102 1_555 ? ? ? ? ? ? ? 2.432 ? ? +metalc65 metalc ? ? E HIS 23 NE2 ? ? ? 1_555 XD HEM . FE ? ? E HIS 23 E HEM 102 1_555 ? ? ? ? ? ? ? 2.084 ? ? +metalc66 metalc ? ? XD HEM . FE ? ? ? 1_555 F HIS 23 NE2 ? ? E HEM 102 F HIS 24 1_555 ? ? ? ? ? ? ? 2.092 ? ? +metalc67 metalc ? ? F ARG 44 O ? ? ? 1_555 AE CA . CA ? ? F ARG 45 F CA 103 1_555 ? ? ? ? ? ? ? 3.159 ? ? +metalc68 metalc ? ? JJ HOH . O ? ? ? 1_555 FE MG . MG ? ? F HOH 202 J MG 102 1_555 ? ? ? ? ? ? ? 2.506 ? ? +metalc69 metalc ? ? I GLY 30 O ? ? ? 1_555 FE MG . MG ? ? J GLY 30 J MG 102 1_555 ? ? ? ? ? ? ? 2.328 ? ? +metalc70 metalc ? ? I ALA 33 O ? ? ? 1_555 FE MG . MG ? ? J ALA 33 J MG 102 1_555 ? ? ? ? ? ? ? 2.363 ? ? +metalc71 metalc ? ? I LEU 35 O ? ? ? 1_555 FE MG . MG ? ? J LEU 35 J MG 102 1_555 ? ? ? ? ? ? ? 2.325 ? ? +metalc72 metalc ? ? M THR 136 O ? ? ? 1_555 LE CA . CA ? ? O THR 138 O CA 301 1_555 ? ? ? ? ? ? ? 2.808 ? ? +metalc73 metalc ? ? M ASP 139 OD2 ? ? ? 1_555 LE CA . CA ? ? O ASP 141 O CA 301 1_555 ? ? ? ? ? ? ? 3.110 ? ? +metalc74 metalc ? ? M VAL 199 O ? ? ? 1_555 LE CA . CA ? ? O VAL 201 O CA 301 1_555 ? ? ? ? ? ? ? 2.736 ? ? +metalc75 metalc ? ? LE CA . CA ? ? ? 1_555 QJ HOH . O ? ? O CA 301 O HOH 422 1_555 ? ? ? ? ? ? ? 2.405 ? ? +metalc76 metalc ? ? P HIS 41 NE2 ? ? ? 1_555 QE HEC . FE ? ? V HIS 41 V HEC 201 1_555 ? ? ? ? ? ? ? 2.083 ? ? +metalc77 metalc ? ? P HIS 92 NE2 ? ? ? 1_555 QE HEC . FE ? ? V HIS 92 V HEC 201 1_555 ? ? ? ? ? ? ? 2.086 ? ? +metalc78 metalc ? ? S ASP 170 OD1 A ? ? 1_555 FF OEX . CA1 A ? a ASP 170 a OEX 411 1_555 ? ? ? ? ? ? ? 2.316 ? ? +metalc79 metalc ? ? S ASP 170 OD1 B ? ? 1_555 FF OEX . CA1 B ? a ASP 170 a OEX 411 1_555 ? ? ? ? ? ? ? 2.391 ? ? +metalc80 metalc ? ? S ASP 170 OD2 A ? ? 1_555 FF OEX . MN4 A ? a ASP 170 a OEX 411 1_555 ? ? ? ? ? ? ? 2.024 ? ? +metalc81 metalc ? ? S ASP 170 OD2 B ? ? 1_555 FF OEX . MN4 B ? a ASP 170 a OEX 411 1_555 ? ? ? ? ? ? ? 1.957 ? ? +metalc82 metalc ? ? S GLU 189 OE1 A ? ? 1_555 FF OEX . CA1 A ? a GLU 189 a OEX 411 1_555 ? ? ? ? ? ? ? 3.030 ? ? +metalc83 metalc ? ? S GLU 189 OE1 B ? ? 1_555 FF OEX . CA1 B ? a GLU 189 a OEX 411 1_555 ? ? ? ? ? ? ? 2.907 ? ? +metalc84 metalc ? ? S GLU 189 OE2 A ? ? 1_555 FF OEX . MN1 A ? a GLU 189 a OEX 411 1_555 ? ? ? ? ? ? ? 1.798 ? ? +metalc85 metalc ? ? S GLU 189 OE2 B ? ? 1_555 FF OEX . MN1 B ? a GLU 189 a OEX 411 1_555 ? ? ? ? ? ? ? 1.850 ? ? +metalc86 metalc ? ? S HIS 215 NE2 A ? ? 1_555 VE FE2 . FE A ? a HIS 215 a FE2 401 1_555 ? ? ? ? ? ? ? 2.113 ? ? +metalc87 metalc ? ? S HIS 215 NE2 B ? ? 1_555 VE FE2 . FE B ? a HIS 215 a FE2 401 1_555 ? ? ? ? ? ? ? 2.122 ? ? +metalc88 metalc ? ? S HIS 272 NE2 A ? ? 1_555 VE FE2 . FE A ? a HIS 272 a FE2 401 1_555 ? ? ? ? ? ? ? 2.306 ? ? +metalc89 metalc ? ? S HIS 272 NE2 B ? ? 1_555 VE FE2 . FE B ? a HIS 272 a FE2 401 1_555 ? ? ? ? ? ? ? 2.308 ? ? +metalc90 metalc ? ? S HIS 332 NE2 A ? ? 1_555 FF OEX . MN1 A ? a HIS 332 a OEX 411 1_555 ? ? ? ? ? ? ? 2.112 ? ? +metalc91 metalc ? ? S HIS 332 NE2 B ? ? 1_555 FF OEX . MN1 B ? a HIS 332 a OEX 411 1_555 ? ? ? ? ? ? ? 2.078 ? ? +metalc92 metalc ? ? S GLU 333 OE1 A ? ? 1_555 FF OEX . MN3 A ? a GLU 333 a OEX 411 1_555 ? ? ? ? ? ? ? 1.977 ? ? +metalc93 metalc ? ? S GLU 333 OE1 B ? ? 1_555 FF OEX . MN3 B ? a GLU 333 a OEX 411 1_555 ? ? ? ? ? ? ? 1.998 ? ? +metalc94 metalc ? ? S GLU 333 OE2 A ? ? 1_555 FF OEX . MN4 A ? a GLU 333 a OEX 411 1_555 ? ? ? ? ? ? ? 1.995 ? ? +metalc95 metalc ? ? S GLU 333 OE2 B ? ? 1_555 FF OEX . MN4 B ? a GLU 333 a OEX 411 1_555 ? ? ? ? ? ? ? 1.846 ? ? +metalc96 metalc ? ? S ASP 342 OD1 A ? ? 1_555 FF OEX . MN2 A ? a ASP 342 a OEX 411 1_555 ? ? ? ? ? ? ? 2.047 ? ? +metalc97 metalc ? ? S ASP 342 OD1 B ? ? 1_555 FF OEX . MN2 B ? a ASP 342 a OEX 411 1_555 ? ? ? ? ? ? ? 2.044 ? ? +metalc98 metalc ? ? S ASP 342 OD2 A ? ? 1_555 FF OEX . MN1 A ? a ASP 342 a OEX 411 1_555 ? ? ? ? ? ? ? 2.145 ? ? +metalc99 metalc ? ? S ASP 342 OD2 B ? ? 1_555 FF OEX . MN1 B ? a ASP 342 a OEX 411 1_555 ? ? ? ? ? ? ? 2.088 ? ? +metalc100 metalc ? ? S ALA 344 O A ? ? 1_555 FF OEX . CA1 A ? a ALA 344 a OEX 411 1_555 ? ? ? ? ? ? ? 2.488 ? ? +metalc101 metalc ? ? S ALA 344 O B ? ? 1_555 FF OEX . CA1 B ? a ALA 344 a OEX 411 1_555 ? ? ? ? ? ? ? 2.407 ? ? +metalc102 metalc ? ? S ALA 344 OXT A ? ? 1_555 FF OEX . MN2 A ? a ALA 344 a OEX 411 1_555 ? ? ? ? ? ? ? 1.973 ? ? +metalc103 metalc ? ? S ALA 344 OXT B ? ? 1_555 FF OEX . MN2 B ? a ALA 344 a OEX 411 1_555 ? ? ? ? ? ? ? 1.899 ? ? +metalc104 metalc ? ? VE FE2 . FE A ? ? 1_555 V HIS 204 NE2 A ? a FE2 401 d HIS 214 1_555 ? ? ? ? ? ? ? 2.218 ? ? +metalc105 metalc ? ? VE FE2 . FE B ? ? 1_555 V HIS 204 NE2 B ? a FE2 401 d HIS 214 1_555 ? ? ? ? ? ? ? 2.249 ? ? +metalc106 metalc ? ? VE FE2 . FE A ? ? 1_555 V HIS 258 NE2 A ? a FE2 401 d HIS 268 1_555 ? ? ? ? ? ? ? 2.300 ? ? +metalc107 metalc ? ? VE FE2 . FE B ? ? 1_555 V HIS 258 NE2 B ? a FE2 401 d HIS 268 1_555 ? ? ? ? ? ? ? 2.375 ? ? +metalc108 metalc ? ? VE FE2 . FE A ? ? 1_555 RH BCT . O1 A ? a FE2 401 d BCT 401 1_555 ? ? ? ? ? ? ? 2.417 ? ? +metalc109 metalc ? ? VE FE2 . FE A ? ? 1_555 RH BCT . O2 A ? a FE2 401 d BCT 401 1_555 ? ? ? ? ? ? ? 2.126 ? ? +metalc110 metalc ? ? VE FE2 . FE B ? ? 1_555 RH BCT . O1 B ? a FE2 401 d BCT 401 1_555 ? ? ? ? ? ? ? 2.499 ? ? +metalc111 metalc ? ? VE FE2 . FE B ? ? 1_555 RH BCT . O2 B ? a FE2 401 d BCT 401 1_555 ? ? ? ? ? ? ? 2.412 ? ? +metalc112 metalc ? ? ZE CLA . MG A ? ? 1_555 VJ HOH . O ? ? a CLA 405 a HOH 608 1_555 ? ? ? ? ? ? ? 2.187 ? ? +metalc113 metalc ? ? ZE CLA . MG B ? ? 1_555 VJ HOH . O ? ? a CLA 405 a HOH 608 1_555 ? ? ? ? ? ? ? 2.200 ? ? +metalc114 metalc ? ? FF OEX . CA1 A ? ? 1_555 VJ HOH . O A ? a OEX 411 a HOH 524 1_555 ? ? ? ? ? ? ? 2.356 ? ? +metalc115 metalc ? ? FF OEX . CA1 B ? ? 1_555 VJ HOH . O B ? a OEX 411 a HOH 524 1_555 ? ? ? ? ? ? ? 2.386 ? ? +metalc116 metalc ? ? FF OEX . MN4 A ? ? 1_555 VJ HOH . O A ? a OEX 411 a HOH 538 1_555 ? ? ? ? ? ? ? 2.210 ? ? +metalc117 metalc ? ? FF OEX . MN4 B ? ? 1_555 VJ HOH . O B ? a OEX 411 a HOH 538 1_555 ? ? ? ? ? ? ? 2.152 ? ? +metalc118 metalc ? ? FF OEX . MN4 A ? ? 1_555 VJ HOH . O A ? a OEX 411 a HOH 567 1_555 ? ? ? ? ? ? ? 2.201 ? ? +metalc119 metalc ? ? FF OEX . MN4 B ? ? 1_555 VJ HOH . O B ? a OEX 411 a HOH 567 1_555 ? ? ? ? ? ? ? 2.086 ? ? +metalc120 metalc ? ? FF OEX . CA1 A ? ? 1_555 VJ HOH . O A ? a OEX 411 a HOH 620 1_555 ? ? ? ? ? ? ? 2.577 ? ? +metalc121 metalc ? ? FF OEX . CA1 B ? ? 1_555 VJ HOH . O B ? a OEX 411 a HOH 620 1_555 ? ? ? ? ? ? ? 2.602 ? ? +metalc122 metalc ? ? FF OEX . MN2 A ? ? 1_555 U GLU 336 OE1 A ? a OEX 411 c GLU 354 1_555 ? ? ? ? ? ? ? 2.071 ? ? +metalc123 metalc ? ? FF OEX . MN2 B ? ? 1_555 U GLU 336 OE1 B ? a OEX 411 c GLU 354 1_555 ? ? ? ? ? ? ? 2.118 ? ? +metalc124 metalc ? ? FF OEX . MN3 A ? ? 1_555 U GLU 336 OE2 A ? a OEX 411 c GLU 354 1_555 ? ? ? ? ? ? ? 2.081 ? ? +metalc125 metalc ? ? FF OEX . MN3 B ? ? 1_555 U GLU 336 OE2 B ? a OEX 411 c GLU 354 1_555 ? ? ? ? ? ? ? 1.971 ? ? +metalc126 metalc ? ? VJ HOH . O A ? ? 1_555 SH CLA . MG A ? a HOH 563 d CLA 402 1_555 ? ? ? ? ? ? ? 2.188 ? ? +metalc127 metalc ? ? VJ HOH . O B ? ? 1_555 SH CLA . MG B ? a HOH 563 d CLA 402 1_555 ? ? ? ? ? ? ? 2.189 ? ? +metalc128 metalc ? ? OF CLA . MG ? ? ? 1_555 WJ HOH . O ? ? b CLA 601 b HOH 707 1_555 ? ? ? ? ? ? ? 2.201 ? ? +metalc129 metalc ? ? UF CLA . MG ? ? ? 1_555 WJ HOH . O ? ? b CLA 607 b HOH 867 1_555 ? ? ? ? ? ? ? 2.183 ? ? +metalc130 metalc ? ? XF CLA . MG ? ? ? 1_555 WJ HOH . O ? ? b CLA 610 b HOH 775 1_555 ? ? ? ? ? ? ? 2.186 ? ? +metalc131 metalc ? ? U PHE 4 O ? ? ? 1_555 NH CA . CA ? ? c PHE 22 c CA 523 1_555 ? ? ? ? ? ? ? 2.471 ? ? +metalc132 metalc ? ? U THR 6 O ? ? ? 1_555 NH CA . CA ? ? c THR 24 c CA 523 1_555 ? ? ? ? ? ? ? 2.442 ? ? +metalc133 metalc ? ? U ASP 9 OD1 ? ? ? 1_555 NH CA . CA ? ? c ASP 27 c CA 523 1_555 ? ? ? ? ? ? ? 2.744 ? ? +metalc134 metalc ? ? U ASP 9 OD2 ? ? ? 1_555 NH CA . CA ? ? c ASP 27 c CA 523 1_555 ? ? ? ? ? ? ? 2.380 ? ? +metalc135 metalc ? ? U GLU 11 OE1 ? ? ? 1_555 NH CA . CA ? ? c GLU 29 c CA 523 1_555 ? ? ? ? ? ? ? 2.430 ? ? +metalc136 metalc ? ? U SER 12 OG ? ? ? 1_555 NH CA . CA ? ? c SER 30 c CA 523 1_555 ? ? ? ? ? ? ? 2.505 ? ? +metalc137 metalc ? ? U ASN 21 OD1 ? ? ? 1_555 BH CLA . MG ? ? c ASN 39 c CLA 511 1_555 ? ? ? ? ? ? ? 2.186 ? ? +metalc138 metalc ? ? U ASN 137 O ? ? ? 1_555 MH CA . CA ? ? c ASN 155 c CA 522 1_555 ? ? ? ? ? ? ? 2.878 ? ? +metalc139 metalc ? ? U THR 140 OG1 ? ? ? 1_555 MH CA . CA ? ? c THR 158 c CA 522 1_555 ? ? ? ? ? ? ? 2.852 ? ? +metalc140 metalc ? ? U THR 141 OG1 ? ? ? 1_555 MH CA . CA ? ? c THR 159 c CA 522 1_555 ? ? ? ? ? ? ? 2.652 ? ? +metalc141 metalc ? ? U HIS 233 O ? ? ? 1_555 MH CA . CA ? ? c HIS 251 c CA 522 1_555 ? ? ? ? ? ? ? 2.681 ? ? +metalc142 metalc ? ? U ILE 234 O ? ? ? 1_555 MH CA . CA ? ? c ILE 252 c CA 522 1_555 ? ? ? ? ? ? ? 3.111 ? ? +metalc143 metalc ? ? U THR 236 O ? ? ? 1_555 MH CA . CA ? ? c THR 254 c CA 522 1_555 ? ? ? ? ? ? ? 2.551 ? ? +metalc144 metalc ? ? UG CLA . MG ? ? ? 1_555 XJ HOH . O ? ? c CLA 504 c HOH 729 1_555 ? ? ? ? ? ? ? 2.192 ? ? +metalc145 metalc ? ? XG CLA . MG ? ? ? 1_555 XJ HOH . O ? ? c CLA 507 c HOH 626 1_555 ? ? ? ? ? ? ? 2.193 ? ? +metalc146 metalc ? ? NH CA . CA ? ? ? 1_555 XJ HOH . O ? ? c CA 523 c HOH 726 1_555 ? ? ? ? ? ? ? 2.506 ? ? +metalc147 metalc ? ? CI LMG . O4 ? ? ? 1_555 NI MG . MG ? ? d LMG 412 j MG 102 1_555 ? ? ? ? ? ? ? 2.383 ? ? +metalc148 metalc ? ? W HIS 23 NE2 ? ? ? 1_555 GI HEM . FE ? ? e HIS 23 f HEM 101 1_555 ? ? ? ? ? ? ? 2.076 ? ? +metalc149 metalc ? ? X HIS 23 NE2 ? ? ? 1_555 GI HEM . FE ? ? f HIS 24 f HEM 101 1_555 ? ? ? ? ? ? ? 2.091 ? ? +metalc150 metalc ? ? X ARG 44 O ? ? ? 1_555 II CA . CA ? ? f ARG 45 f CA 103 1_555 ? ? ? ? ? ? ? 3.152 ? ? +metalc151 metalc ? ? X ARG 44 OXT ? ? ? 1_555 II CA . CA ? ? f ARG 45 f CA 103 1_555 ? ? ? ? ? ? ? 3.010 ? ? +metalc152 metalc ? ? II CA . CA ? ? ? 1_555 HA GLU 23 OE2 ? ? f CA 103 v GLU 23 1_555 ? ? ? ? ? ? ? 3.047 ? ? +metalc153 metalc ? ? II CA . CA ? ? ? 1_555 KK HOH . O ? ? f CA 103 v HOH 313 1_555 ? ? ? ? ? ? ? 2.613 ? ? +metalc154 metalc ? ? AK HOH . O ? ? ? 1_555 NI MG . MG ? ? f HOH 202 j MG 102 1_555 ? ? ? ? ? ? ? 2.347 ? ? +metalc155 metalc ? ? AA GLY 30 O ? ? ? 1_555 NI MG . MG ? ? j GLY 30 j MG 102 1_555 ? ? ? ? ? ? ? 2.192 ? ? +metalc156 metalc ? ? AA ALA 33 O ? ? ? 1_555 NI MG . MG ? ? j ALA 33 j MG 102 1_555 ? ? ? ? ? ? ? 2.230 ? ? +metalc157 metalc ? ? AA LEU 35 O ? ? ? 1_555 NI MG . MG ? ? j LEU 35 j MG 102 1_555 ? ? ? ? ? ? ? 2.393 ? ? +metalc158 metalc ? ? EA THR 136 O ? ? ? 1_555 TI CA . CA ? ? o THR 138 o CA 301 1_555 ? ? ? ? ? ? ? 2.521 ? ? +metalc159 metalc ? ? EA ASN 198 OD1 ? ? ? 1_555 TI CA . CA ? ? o ASN 200 o CA 301 1_555 ? ? ? ? ? ? ? 2.989 ? ? +metalc160 metalc ? ? EA VAL 199 O ? ? ? 1_555 TI CA . CA ? ? o VAL 201 o CA 301 1_555 ? ? ? ? ? ? ? 2.899 ? ? +metalc161 metalc ? ? TI CA . CA ? ? ? 1_555 HK HOH . O ? ? o CA 301 o HOH 401 1_555 ? ? ? ? ? ? ? 2.364 ? ? +metalc162 metalc ? ? HA HIS 41 NE2 ? ? ? 1_555 YI HEC . FE ? ? v HIS 41 v HEC 201 1_555 ? ? ? ? ? ? ? 2.088 ? ? +metalc163 metalc ? ? HA HIS 92 NE2 ? ? ? 1_555 YI HEC . FE ? ? v HIS 92 v HEC 201 1_555 ? ? ? ? ? ? ? 2.086 ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +disulf ? ? +covale ? ? +metalc ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O1 A ZA OEX . ? A OEX 413 ? 1_555 143.8 ? +2 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O2 A ZA OEX . ? A OEX 413 ? 1_555 81.2 ? +3 O1 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O2 A ZA OEX . ? A OEX 413 ? 1_555 63.3 ? +4 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 97.1 ? +5 O1 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 73.6 ? +6 O2 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 62.5 ? +7 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A A GLU 189 ? A GLU 189 ? 1_555 145.0 ? +8 O1 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A A GLU 189 ? A GLU 189 ? 1_555 71.1 ? +9 O2 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A A GLU 189 ? A GLU 189 ? 1_555 132.1 ? +10 O5 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A A GLU 189 ? A GLU 189 ? 1_555 91.8 ? +11 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A A ALA 344 ? A ALA 344 ? 1_555 86.6 ? +12 O1 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A A ALA 344 ? A ALA 344 ? 1_555 74.9 ? +13 O2 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A A ALA 344 ? A ALA 344 ? 1_555 69.3 ? +14 O5 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A A ALA 344 ? A ALA 344 ? 1_555 130.4 ? +15 OE1 A A GLU 189 ? A GLU 189 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A A ALA 344 ? A ALA 344 ? 1_555 112.8 ? +16 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 514 ? 1_555 87.7 ? +17 O1 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 514 ? 1_555 114.4 ? +18 O2 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 514 ? 1_555 139.8 ? +19 O5 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 514 ? 1_555 157.6 ? +20 OE1 A A GLU 189 ? A GLU 189 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 514 ? 1_555 72.5 ? +21 O A A ALA 344 ? A ALA 344 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 514 ? 1_555 71.6 ? +22 OD1 A A ASP 170 ? A ASP 170 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 82.0 ? +23 O1 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 127.2 ? +24 O2 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 133.2 ? +25 O5 A ZA OEX . ? A OEX 413 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 76.7 ? +26 OE1 A A GLU 189 ? A GLU 189 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 67.3 ? +27 O A A ALA 344 ? A ALA 344 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 151.9 ? +28 O A EJ HOH . ? A HOH 514 ? 1_555 CA1 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 624 ? 1_555 82.3 ? +29 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O1 B ZA OEX . ? A OEX 413 ? 1_555 138.3 ? +30 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O2 B ZA OEX . ? A OEX 413 ? 1_555 75.4 ? +31 O1 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O2 B ZA OEX . ? A OEX 413 ? 1_555 62.9 ? +32 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 85.1 ? +33 O1 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 76.8 ? +34 O2 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 61.9 ? +35 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B A GLU 189 ? A GLU 189 ? 1_555 150.4 ? +36 O1 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B A GLU 189 ? A GLU 189 ? 1_555 70.8 ? +37 O2 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B A GLU 189 ? A GLU 189 ? 1_555 133.0 ? +38 O5 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B A GLU 189 ? A GLU 189 ? 1_555 100.7 ? +39 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B A ALA 344 ? A ALA 344 ? 1_555 89.3 ? +40 O1 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B A ALA 344 ? A ALA 344 ? 1_555 76.4 ? +41 O2 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B A ALA 344 ? A ALA 344 ? 1_555 70.6 ? +42 O5 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B A ALA 344 ? A ALA 344 ? 1_555 132.0 ? +43 OE1 B A GLU 189 ? A GLU 189 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B A ALA 344 ? A ALA 344 ? 1_555 107.0 ? +44 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 514 ? 1_555 88.6 ? +45 O1 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 514 ? 1_555 122.9 ? +46 O2 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 514 ? 1_555 140.7 ? +47 O5 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 514 ? 1_555 153.3 ? +48 OE1 B A GLU 189 ? A GLU 189 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 514 ? 1_555 73.2 ? +49 O B A ALA 344 ? A ALA 344 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 514 ? 1_555 73.6 ? +50 OD1 B A ASP 170 ? A ASP 170 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 81.0 ? +51 O1 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 126.5 ? +52 O2 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 129.6 ? +53 O5 B ZA OEX . ? A OEX 413 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 72.4 ? +54 OE1 B A GLU 189 ? A GLU 189 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 73.3 ? +55 O B A ALA 344 ? A ALA 344 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 153.1 ? +56 O B EJ HOH . ? A HOH 514 ? 1_555 CA1 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 624 ? 1_555 81.0 ? +57 OD2 A A ASP 170 ? A ASP 170 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 106.5 ? +58 OD2 A A ASP 170 ? A ASP 170 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O4 A ZA OEX . ? A OEX 413 ? 1_555 97.6 ? +59 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O4 A ZA OEX . ? A OEX 413 ? 1_555 85.9 ? +60 OD2 A A ASP 170 ? A ASP 170 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A A GLU 333 ? A GLU 333 ? 1_555 160.5 ? +61 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A A GLU 333 ? A GLU 333 ? 1_555 88.2 ? +62 O4 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A A GLU 333 ? A GLU 333 ? 1_555 96.1 ? +63 OD2 A A ASP 170 ? A ASP 170 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 537 ? 1_555 85.7 ? +64 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 537 ? 1_555 92.7 ? +65 O4 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 537 ? 1_555 176.6 ? +66 OE2 A A GLU 333 ? A GLU 333 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 537 ? 1_555 80.8 ? +67 OD2 A A ASP 170 ? A ASP 170 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 547 ? 1_555 86.7 ? +68 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 547 ? 1_555 166.6 ? +69 O4 A ZA OEX . ? A OEX 413 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 547 ? 1_555 94.9 ? +70 OE2 A A GLU 333 ? A GLU 333 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 547 ? 1_555 78.4 ? +71 O A EJ HOH . ? A HOH 537 ? 1_555 MN4 A ZA OEX . ? A OEX 413 ? 1_555 O A EJ HOH . ? A HOH 547 ? 1_555 85.7 ? +72 OD2 B A ASP 170 ? A ASP 170 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 101.4 ? +73 OD2 B A ASP 170 ? A ASP 170 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O4 B ZA OEX . ? A OEX 413 ? 1_555 95.3 ? +74 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O4 B ZA OEX . ? A OEX 413 ? 1_555 81.5 ? +75 OD2 B A ASP 170 ? A ASP 170 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B A GLU 333 ? A GLU 333 ? 1_555 159.5 ? +76 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B A GLU 333 ? A GLU 333 ? 1_555 86.2 ? +77 O4 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B A GLU 333 ? A GLU 333 ? 1_555 104.7 ? +78 OD2 B A ASP 170 ? A ASP 170 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 537 ? 1_555 84.9 ? +79 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 537 ? 1_555 91.1 ? +80 O4 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 537 ? 1_555 172.6 ? +81 OE2 B A GLU 333 ? A GLU 333 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 537 ? 1_555 75.8 ? +82 OD2 B A ASP 170 ? A ASP 170 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 547 ? 1_555 85.6 ? +83 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 547 ? 1_555 171.5 ? +84 O4 B ZA OEX . ? A OEX 413 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 547 ? 1_555 102.8 ? +85 OE2 B A GLU 333 ? A GLU 333 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 547 ? 1_555 85.6 ? +86 O B EJ HOH . ? A HOH 537 ? 1_555 MN4 B ZA OEX . ? A OEX 413 ? 1_555 O B EJ HOH . ? A HOH 547 ? 1_555 84.6 ? +87 OE2 A A GLU 189 ? A GLU 189 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 O1 A ZA OEX . ? A OEX 413 ? 1_555 89.6 ? +88 OE2 A A GLU 189 ? A GLU 189 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 99.7 ? +89 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 87.1 ? +90 OE2 A A GLU 189 ? A GLU 189 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 171.0 ? +91 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 82.7 ? +92 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 75.2 ? +93 OE2 A A GLU 189 ? A GLU 189 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 NE2 A A HIS 332 ? A HIS 332 ? 1_555 93.5 ? +94 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 NE2 A A HIS 332 ? A HIS 332 ? 1_555 171.1 ? +95 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 NE2 A A HIS 332 ? A HIS 332 ? 1_555 100.5 ? +96 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 NE2 A A HIS 332 ? A HIS 332 ? 1_555 94.8 ? +97 OE2 A A GLU 189 ? A GLU 189 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 OD2 A A ASP 342 ? A ASP 342 ? 1_555 96.5 ? +98 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 OD2 A A ASP 342 ? A ASP 342 ? 1_555 83.0 ? +99 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 OD2 A A ASP 342 ? A ASP 342 ? 1_555 160.9 ? +100 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 OD2 A A ASP 342 ? A ASP 342 ? 1_555 87.3 ? +101 NE2 A A HIS 332 ? A HIS 332 ? 1_555 MN1 A ZA OEX . ? A OEX 413 ? 1_555 OD2 A A ASP 342 ? A ASP 342 ? 1_555 88.4 ? +102 OE2 B A GLU 189 ? A GLU 189 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 O1 B ZA OEX . ? A OEX 413 ? 1_555 86.7 ? +103 OE2 B A GLU 189 ? A GLU 189 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 94.8 ? +104 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 90.6 ? +105 OE2 B A GLU 189 ? A GLU 189 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 165.8 ? +106 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 83.7 ? +107 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 74.9 ? +108 OE2 B A GLU 189 ? A GLU 189 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 NE2 B A HIS 332 ? A HIS 332 ? 1_555 94.1 ? +109 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 NE2 B A HIS 332 ? A HIS 332 ? 1_555 168.1 ? +110 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 NE2 B A HIS 332 ? A HIS 332 ? 1_555 101.2 ? +111 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 NE2 B A HIS 332 ? A HIS 332 ? 1_555 97.5 ? +112 OE2 B A GLU 189 ? A GLU 189 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 OD2 B A ASP 342 ? A ASP 342 ? 1_555 103.2 ? +113 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 OD2 B A ASP 342 ? A ASP 342 ? 1_555 79.8 ? +114 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 OD2 B A ASP 342 ? A ASP 342 ? 1_555 158.9 ? +115 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 OD2 B A ASP 342 ? A ASP 342 ? 1_555 85.3 ? +116 NE2 B A HIS 332 ? A HIS 332 ? 1_555 MN1 B ZA OEX . ? A OEX 413 ? 1_555 OD2 B A ASP 342 ? A ASP 342 ? 1_555 88.4 ? +117 NE2 A A HIS 215 ? A HIS 215 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 NE2 A A HIS 272 ? A HIS 272 ? 1_555 90.0 ? +118 NE2 A A HIS 215 ? A HIS 215 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 NE2 A D HIS 204 ? D HIS 214 ? 1_555 99.0 ? +119 NE2 A A HIS 272 ? A HIS 272 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 NE2 A D HIS 204 ? D HIS 214 ? 1_555 86.4 ? +120 NE2 A A HIS 215 ? A HIS 215 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 NE2 A D HIS 258 ? D HIS 268 ? 1_555 92.3 ? +121 NE2 A A HIS 272 ? A HIS 272 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 NE2 A D HIS 258 ? D HIS 268 ? 1_555 177.2 ? +122 NE2 A D HIS 204 ? D HIS 214 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 NE2 A D HIS 258 ? D HIS 268 ? 1_555 91.6 ? +123 NE2 A A HIS 215 ? A HIS 215 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O2 A KD BCT . ? D BCT 401 ? 1_555 107.8 ? +124 NE2 A A HIS 272 ? A HIS 272 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O2 A KD BCT . ? D BCT 401 ? 1_555 89.0 ? +125 NE2 A D HIS 204 ? D HIS 214 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O2 A KD BCT . ? D BCT 401 ? 1_555 152.8 ? +126 NE2 A D HIS 258 ? D HIS 268 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O2 A KD BCT . ? D BCT 401 ? 1_555 91.9 ? +127 NE2 A A HIS 215 ? A HIS 215 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O1 A KD BCT . ? D BCT 401 ? 1_555 170.0 ? +128 NE2 A A HIS 272 ? A HIS 272 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O1 A KD BCT . ? D BCT 401 ? 1_555 92.9 ? +129 NE2 A D HIS 204 ? D HIS 214 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O1 A KD BCT . ? D BCT 401 ? 1_555 90.7 ? +130 NE2 A D HIS 258 ? D HIS 268 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O1 A KD BCT . ? D BCT 401 ? 1_555 85.1 ? +131 O2 A KD BCT . ? D BCT 401 ? 1_555 FE A NA FE2 . ? A FE2 401 ? 1_555 O1 A KD BCT . ? D BCT 401 ? 1_555 62.7 ? +132 NE2 B A HIS 215 ? A HIS 215 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 NE2 B A HIS 272 ? A HIS 272 ? 1_555 88.8 ? +133 NE2 B A HIS 215 ? A HIS 215 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 NE2 B D HIS 204 ? D HIS 214 ? 1_555 104.7 ? +134 NE2 B A HIS 272 ? A HIS 272 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 NE2 B D HIS 204 ? D HIS 214 ? 1_555 86.2 ? +135 NE2 B A HIS 215 ? A HIS 215 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 NE2 B D HIS 258 ? D HIS 268 ? 1_555 93.8 ? +136 NE2 B A HIS 272 ? A HIS 272 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 NE2 B D HIS 258 ? D HIS 268 ? 1_555 177.4 ? +137 NE2 B D HIS 204 ? D HIS 214 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 NE2 B D HIS 258 ? D HIS 268 ? 1_555 93.7 ? +138 NE2 B A HIS 215 ? A HIS 215 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O2 B KD BCT . ? D BCT 401 ? 1_555 103.5 ? +139 NE2 B A HIS 272 ? A HIS 272 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O2 B KD BCT . ? D BCT 401 ? 1_555 87.0 ? +140 NE2 B D HIS 204 ? D HIS 214 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O2 B KD BCT . ? D BCT 401 ? 1_555 150.8 ? +141 NE2 B D HIS 258 ? D HIS 268 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O2 B KD BCT . ? D BCT 401 ? 1_555 91.9 ? +142 NE2 B A HIS 215 ? A HIS 215 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O1 B KD BCT . ? D BCT 401 ? 1_555 159.9 ? +143 NE2 B A HIS 272 ? A HIS 272 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O1 B KD BCT . ? D BCT 401 ? 1_555 94.9 ? +144 NE2 B D HIS 204 ? D HIS 214 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O1 B KD BCT . ? D BCT 401 ? 1_555 95.3 ? +145 NE2 B D HIS 258 ? D HIS 268 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O1 B KD BCT . ? D BCT 401 ? 1_555 82.5 ? +146 O2 B KD BCT . ? D BCT 401 ? 1_555 FE B NA FE2 . ? A FE2 401 ? 1_555 O1 B KD BCT . ? D BCT 401 ? 1_555 57.1 ? +147 OE1 A A GLU 333 ? A GLU 333 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O2 A ZA OEX . ? A OEX 413 ? 1_555 170.8 ? +148 OE1 A A GLU 333 ? A GLU 333 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 89.1 ? +149 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 83.9 ? +150 OE1 A A GLU 333 ? A GLU 333 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O4 A ZA OEX . ? A OEX 413 ? 1_555 96.7 ? +151 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O4 A ZA OEX . ? A OEX 413 ? 1_555 89.9 ? +152 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O4 A ZA OEX . ? A OEX 413 ? 1_555 172.7 ? +153 OE1 A A GLU 333 ? A GLU 333 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 95.7 ? +154 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 90.3 ? +155 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 89.8 ? +156 O4 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 O5 A ZA OEX . ? A OEX 413 ? 1_555 94.0 ? +157 OE1 A A GLU 333 ? A GLU 333 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A C GLU 336 ? C GLU 354 ? 1_555 86.2 ? +158 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A C GLU 336 ? C GLU 354 ? 1_555 86.9 ? +159 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A C GLU 336 ? C GLU 354 ? 1_555 81.7 ? +160 O4 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A C GLU 336 ? C GLU 354 ? 1_555 94.2 ? +161 O5 A ZA OEX . ? A OEX 413 ? 1_555 MN3 A ZA OEX . ? A OEX 413 ? 1_555 OE2 A C GLU 336 ? C GLU 354 ? 1_555 171.3 ? +162 OE1 B A GLU 333 ? A GLU 333 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O2 B ZA OEX . ? A OEX 413 ? 1_555 172.7 ? +163 OE1 B A GLU 333 ? A GLU 333 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 89.5 ? +164 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 83.6 ? +165 OE1 B A GLU 333 ? A GLU 333 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O4 B ZA OEX . ? A OEX 413 ? 1_555 99.3 ? +166 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O4 B ZA OEX . ? A OEX 413 ? 1_555 87.5 ? +167 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O4 B ZA OEX . ? A OEX 413 ? 1_555 170.4 ? +168 OE1 B A GLU 333 ? A GLU 333 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 92.9 ? +169 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 89.7 ? +170 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 92.6 ? +171 O4 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 O5 B ZA OEX . ? A OEX 413 ? 1_555 90.9 ? +172 OE1 B A GLU 333 ? A GLU 333 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B C GLU 336 ? C GLU 354 ? 1_555 89.9 ? +173 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B C GLU 336 ? C GLU 354 ? 1_555 87.4 ? +174 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B C GLU 336 ? C GLU 354 ? 1_555 86.7 ? +175 O4 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B C GLU 336 ? C GLU 354 ? 1_555 89.4 ? +176 O5 B ZA OEX . ? A OEX 413 ? 1_555 MN3 B ZA OEX . ? A OEX 413 ? 1_555 OE2 B C GLU 336 ? C GLU 354 ? 1_555 177.1 ? +177 OD1 A A ASP 342 ? A ASP 342 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 O1 A ZA OEX . ? A OEX 413 ? 1_555 84.9 ? +178 OD1 A A ASP 342 ? A ASP 342 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 O2 A ZA OEX . ? A OEX 413 ? 1_555 176.2 ? +179 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 O2 A ZA OEX . ? A OEX 413 ? 1_555 95.7 ? +180 OD1 A A ASP 342 ? A ASP 342 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 89.2 ? +181 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 81.1 ? +182 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 O3 A ZA OEX . ? A OEX 413 ? 1_555 87.2 ? +183 OD1 A A ASP 342 ? A ASP 342 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OXT A A ALA 344 ? A ALA 344 ? 1_555 86.8 ? +184 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OXT A A ALA 344 ? A ALA 344 ? 1_555 96.3 ? +185 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OXT A A ALA 344 ? A ALA 344 ? 1_555 96.9 ? +186 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OXT A A ALA 344 ? A ALA 344 ? 1_555 175.4 ? +187 OD1 A A ASP 342 ? A ASP 342 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A C GLU 336 ? C GLU 354 ? 1_555 86.5 ? +188 O1 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A C GLU 336 ? C GLU 354 ? 1_555 166.4 ? +189 O2 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A C GLU 336 ? C GLU 354 ? 1_555 92.2 ? +190 O3 A ZA OEX . ? A OEX 413 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A C GLU 336 ? C GLU 354 ? 1_555 88.3 ? +191 OXT A A ALA 344 ? A ALA 344 ? 1_555 MN2 A ZA OEX . ? A OEX 413 ? 1_555 OE1 A C GLU 336 ? C GLU 354 ? 1_555 93.7 ? +192 OD1 B A ASP 342 ? A ASP 342 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 O1 B ZA OEX . ? A OEX 413 ? 1_555 86.9 ? +193 OD1 B A ASP 342 ? A ASP 342 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 O2 B ZA OEX . ? A OEX 413 ? 1_555 178.1 ? +194 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 O2 B ZA OEX . ? A OEX 413 ? 1_555 93.2 ? +195 OD1 B A ASP 342 ? A ASP 342 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 92.1 ? +196 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 81.6 ? +197 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 O3 B ZA OEX . ? A OEX 413 ? 1_555 86.1 ? +198 OD1 B A ASP 342 ? A ASP 342 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OXT B A ALA 344 ? A ALA 344 ? 1_555 88.9 ? +199 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OXT B A ALA 344 ? A ALA 344 ? 1_555 91.4 ? +200 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OXT B A ALA 344 ? A ALA 344 ? 1_555 93.0 ? +201 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OXT B A ALA 344 ? A ALA 344 ? 1_555 172.8 ? +202 OD1 B A ASP 342 ? A ASP 342 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B C GLU 336 ? C GLU 354 ? 1_555 84.0 ? +203 O1 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B C GLU 336 ? C GLU 354 ? 1_555 165.6 ? +204 O2 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B C GLU 336 ? C GLU 354 ? 1_555 95.5 ? +205 O3 B ZA OEX . ? A OEX 413 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B C GLU 336 ? C GLU 354 ? 1_555 87.6 ? +206 OXT B A ALA 344 ? A ALA 344 ? 1_555 MN2 B ZA OEX . ? A OEX 413 ? 1_555 OE1 B C GLU 336 ? C GLU 354 ? 1_555 99.6 ? +207 O A EJ HOH . ? A HOH 585 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 NA A RA CLA . ? A CLA 405 ? 1_555 93.5 ? +208 O A EJ HOH . ? A HOH 585 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 NB A RA CLA . ? A CLA 405 ? 1_555 102.1 ? +209 NA A RA CLA . ? A CLA 405 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 NB A RA CLA . ? A CLA 405 ? 1_555 89.8 ? +210 O A EJ HOH . ? A HOH 585 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 NC A RA CLA . ? A CLA 405 ? 1_555 104.8 ? +211 NA A RA CLA . ? A CLA 405 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 NC A RA CLA . ? A CLA 405 ? 1_555 160.6 ? +212 NB A RA CLA . ? A CLA 405 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 NC A RA CLA . ? A CLA 405 ? 1_555 92.6 ? +213 O A EJ HOH . ? A HOH 585 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 ND A RA CLA . ? A CLA 405 ? 1_555 95.6 ? +214 NA A RA CLA . ? A CLA 405 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 ND A RA CLA . ? A CLA 405 ? 1_555 90.9 ? +215 NB A RA CLA . ? A CLA 405 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 ND A RA CLA . ? A CLA 405 ? 1_555 162.2 ? +216 NC A RA CLA . ? A CLA 405 ? 1_555 MG A RA CLA . ? A CLA 405 ? 1_555 ND A RA CLA . ? A CLA 405 ? 1_555 81.0 ? +217 O B EJ HOH . ? A HOH 585 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 NA B RA CLA . ? A CLA 405 ? 1_555 92.3 ? +218 O B EJ HOH . ? A HOH 585 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 NB B RA CLA . ? A CLA 405 ? 1_555 102.5 ? +219 NA B RA CLA . ? A CLA 405 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 NB B RA CLA . ? A CLA 405 ? 1_555 89.7 ? +220 O B EJ HOH . ? A HOH 585 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 NC B RA CLA . ? A CLA 405 ? 1_555 103.0 ? +221 NA B RA CLA . ? A CLA 405 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 NC B RA CLA . ? A CLA 405 ? 1_555 163.3 ? +222 NB B RA CLA . ? A CLA 405 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 NC B RA CLA . ? A CLA 405 ? 1_555 93.6 ? +223 O B EJ HOH . ? A HOH 585 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 ND B RA CLA . ? A CLA 405 ? 1_555 92.8 ? +224 NA B RA CLA . ? A CLA 405 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 ND B RA CLA . ? A CLA 405 ? 1_555 91.8 ? +225 NB B RA CLA . ? A CLA 405 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 ND B RA CLA . ? A CLA 405 ? 1_555 164.5 ? +226 NC B RA CLA . ? A CLA 405 ? 1_555 MG B RA CLA . ? A CLA 405 ? 1_555 ND B RA CLA . ? A CLA 405 ? 1_555 80.8 ? +227 O ? EJ HOH . ? A HOH 628 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 NA A SA CLA . ? A CLA 406 ? 1_555 94.4 ? +228 O ? EJ HOH . ? A HOH 628 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 NB A SA CLA . ? A CLA 406 ? 1_555 100.9 ? +229 NA A SA CLA . ? A CLA 406 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 NB A SA CLA . ? A CLA 406 ? 1_555 88.9 ? +230 O ? EJ HOH . ? A HOH 628 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 NC A SA CLA . ? A CLA 406 ? 1_555 101.9 ? +231 NA A SA CLA . ? A CLA 406 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 NC A SA CLA . ? A CLA 406 ? 1_555 162.7 ? +232 NB A SA CLA . ? A CLA 406 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 NC A SA CLA . ? A CLA 406 ? 1_555 93.5 ? +233 O ? EJ HOH . ? A HOH 628 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 96.8 ? +234 NA A SA CLA . ? A CLA 406 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 91.7 ? +235 NB A SA CLA . ? A CLA 406 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 162.2 ? +236 NC A SA CLA . ? A CLA 406 ? 1_555 MG A SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 80.9 ? +237 O ? EJ HOH . ? A HOH 628 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 NA A SA CLA . ? A CLA 406 ? 1_555 93.7 ? +238 O ? EJ HOH . ? A HOH 628 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 NB A SA CLA . ? A CLA 406 ? 1_555 101.2 ? +239 NA A SA CLA . ? A CLA 406 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 NB A SA CLA . ? A CLA 406 ? 1_555 88.4 ? +240 O ? EJ HOH . ? A HOH 628 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 NC A SA CLA . ? A CLA 406 ? 1_555 102.6 ? +241 NA A SA CLA . ? A CLA 406 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 NC A SA CLA . ? A CLA 406 ? 1_555 162.5 ? +242 NB A SA CLA . ? A CLA 406 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 NC A SA CLA . ? A CLA 406 ? 1_555 94.5 ? +243 O ? EJ HOH . ? A HOH 628 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 96.5 ? +244 NA A SA CLA . ? A CLA 406 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 90.8 ? +245 NB A SA CLA . ? A CLA 406 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 162.3 ? +246 NC A SA CLA . ? A CLA 406 ? 1_555 MG B SA CLA . ? A CLA 406 ? 1_555 ND A SA CLA . ? A CLA 406 ? 1_555 81.2 ? +247 O ? FJ HOH . ? B HOH 748 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 NA ? HB CLA . ? B CLA 601 ? 1_555 92.6 ? +248 O ? FJ HOH . ? B HOH 748 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 NB ? HB CLA . ? B CLA 601 ? 1_555 102.9 ? +249 NA ? HB CLA . ? B CLA 601 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 NB ? HB CLA . ? B CLA 601 ? 1_555 89.2 ? +250 O ? FJ HOH . ? B HOH 748 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 NC ? HB CLA . ? B CLA 601 ? 1_555 101.4 ? +251 NA ? HB CLA . ? B CLA 601 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 NC ? HB CLA . ? B CLA 601 ? 1_555 164.2 ? +252 NB ? HB CLA . ? B CLA 601 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 NC ? HB CLA . ? B CLA 601 ? 1_555 94.8 ? +253 O ? FJ HOH . ? B HOH 748 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 ND ? HB CLA . ? B CLA 601 ? 1_555 91.6 ? +254 NA ? HB CLA . ? B CLA 601 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 ND ? HB CLA . ? B CLA 601 ? 1_555 91.9 ? +255 NB ? HB CLA . ? B CLA 601 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 ND ? HB CLA . ? B CLA 601 ? 1_555 165.4 ? +256 NC ? HB CLA . ? B CLA 601 ? 1_555 MG ? HB CLA . ? B CLA 601 ? 1_555 ND ? HB CLA . ? B CLA 601 ? 1_555 80.4 ? +257 O ? FJ HOH . ? B HOH 855 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 NA ? NB CLA . ? B CLA 607 ? 1_555 95.8 ? +258 O ? FJ HOH . ? B HOH 855 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 NB ? NB CLA . ? B CLA 607 ? 1_555 98.6 ? +259 NA ? NB CLA . ? B CLA 607 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 NB ? NB CLA . ? B CLA 607 ? 1_555 90.3 ? +260 O ? FJ HOH . ? B HOH 855 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 NC ? NB CLA . ? B CLA 607 ? 1_555 99.0 ? +261 NA ? NB CLA . ? B CLA 607 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 NC ? NB CLA . ? B CLA 607 ? 1_555 164.1 ? +262 NB ? NB CLA . ? B CLA 607 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 NC ? NB CLA . ? B CLA 607 ? 1_555 93.0 ? +263 O ? FJ HOH . ? B HOH 855 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 ND ? NB CLA . ? B CLA 607 ? 1_555 95.2 ? +264 NA ? NB CLA . ? B CLA 607 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 ND ? NB CLA . ? B CLA 607 ? 1_555 90.7 ? +265 NB ? NB CLA . ? B CLA 607 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 ND ? NB CLA . ? B CLA 607 ? 1_555 166.0 ? +266 NC ? NB CLA . ? B CLA 607 ? 1_555 MG ? NB CLA . ? B CLA 607 ? 1_555 ND ? NB CLA . ? B CLA 607 ? 1_555 82.3 ? +267 O ? FJ HOH . ? B HOH 710 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 NA ? QB CLA . ? B CLA 610 ? 1_555 94.5 ? +268 O ? FJ HOH . ? B HOH 710 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 NB ? QB CLA . ? B CLA 610 ? 1_555 90.1 ? +269 NA ? QB CLA . ? B CLA 610 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 NB ? QB CLA . ? B CLA 610 ? 1_555 90.9 ? +270 O ? FJ HOH . ? B HOH 710 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 NC ? QB CLA . ? B CLA 610 ? 1_555 98.8 ? +271 NA ? QB CLA . ? B CLA 610 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 NC ? QB CLA . ? B CLA 610 ? 1_555 165.9 ? +272 NB ? QB CLA . ? B CLA 610 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 NC ? QB CLA . ? B CLA 610 ? 1_555 94.1 ? +273 O ? FJ HOH . ? B HOH 710 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 ND ? QB CLA . ? B CLA 610 ? 1_555 101.8 ? +274 NA ? QB CLA . ? B CLA 610 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 ND ? QB CLA . ? B CLA 610 ? 1_555 91.1 ? +275 NB ? QB CLA . ? B CLA 610 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 ND ? QB CLA . ? B CLA 610 ? 1_555 167.7 ? +276 NC ? QB CLA . ? B CLA 610 ? 1_555 MG ? QB CLA . ? B CLA 610 ? 1_555 ND ? QB CLA . ? B CLA 610 ? 1_555 81.3 ? +277 OD1 ? C ASN 21 ? C ASN 39 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 NA ? XC CLA . ? C CLA 512 ? 1_555 102.1 ? +278 OD1 ? C ASN 21 ? C ASN 39 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 NB ? XC CLA . ? C CLA 512 ? 1_555 102.0 ? +279 NA ? XC CLA . ? C CLA 512 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 NB ? XC CLA . ? C CLA 512 ? 1_555 89.4 ? +280 OD1 ? C ASN 21 ? C ASN 39 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 NC ? XC CLA . ? C CLA 512 ? 1_555 91.9 ? +281 NA ? XC CLA . ? C CLA 512 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 NC ? XC CLA . ? C CLA 512 ? 1_555 164.5 ? +282 NB ? XC CLA . ? C CLA 512 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 NC ? XC CLA . ? C CLA 512 ? 1_555 94.3 ? +283 OD1 ? C ASN 21 ? C ASN 39 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 ND ? XC CLA . ? C CLA 512 ? 1_555 92.7 ? +284 NA ? XC CLA . ? C CLA 512 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 ND ? XC CLA . ? C CLA 512 ? 1_555 92.0 ? +285 NB ? XC CLA . ? C CLA 512 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 ND ? XC CLA . ? C CLA 512 ? 1_555 164.6 ? +286 NC ? XC CLA . ? C CLA 512 ? 1_555 MG ? XC CLA . ? C CLA 512 ? 1_555 ND ? XC CLA . ? C CLA 512 ? 1_555 80.5 ? +287 O ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 OD1 ? C ASN 137 ? C ASN 155 ? 1_555 74.2 ? +288 O ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 OG1 ? C THR 140 ? C THR 158 ? 1_555 64.3 ? +289 OD1 ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 OG1 ? C THR 140 ? C THR 158 ? 1_555 110.7 ? +290 O ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 OG1 ? C THR 141 ? C THR 159 ? 1_555 73.1 ? +291 OD1 ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 OG1 ? C THR 141 ? C THR 159 ? 1_555 99.9 ? +292 OG1 ? C THR 140 ? C THR 158 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 OG1 ? C THR 141 ? C THR 159 ? 1_555 116.1 ? +293 O ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C HIS 233 ? C HIS 251 ? 1_555 122.2 ? +294 OD1 ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C HIS 233 ? C HIS 251 ? 1_555 162.2 ? +295 OG1 ? C THR 140 ? C THR 158 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C HIS 233 ? C HIS 251 ? 1_555 74.6 ? +296 OG1 ? C THR 141 ? C THR 159 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C HIS 233 ? C HIS 251 ? 1_555 92.3 ? +297 O ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C ILE 234 ? C ILE 252 ? 1_555 141.1 ? +298 OD1 ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C ILE 234 ? C ILE 252 ? 1_555 97.0 ? +299 OG1 ? C THR 140 ? C THR 158 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C ILE 234 ? C ILE 252 ? 1_555 148.6 ? +300 OG1 ? C THR 141 ? C THR 159 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C ILE 234 ? C ILE 252 ? 1_555 71.4 ? +301 O ? C HIS 233 ? C HIS 251 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C ILE 234 ? C ILE 252 ? 1_555 74.6 ? +302 O ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C THR 236 ? C THR 254 ? 1_555 125.4 ? +303 OD1 ? C ASN 137 ? C ASN 155 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C THR 236 ? C THR 254 ? 1_555 84.4 ? +304 OG1 ? C THR 140 ? C THR 158 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C THR 236 ? C THR 254 ? 1_555 78.4 ? +305 OG1 ? C THR 141 ? C THR 159 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C THR 236 ? C THR 254 ? 1_555 161.3 ? +306 O ? C HIS 233 ? C HIS 251 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C THR 236 ? C THR 254 ? 1_555 79.9 ? +307 O ? C ILE 234 ? C ILE 252 ? 1_555 CA ? JD CA . ? C CA 524 ? 1_555 O ? C THR 236 ? C THR 254 ? 1_555 90.1 ? +308 O ? GJ HOH . ? C HOH 740 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 NA ? QC CLA . ? C CLA 505 ? 1_555 95.1 ? +309 O ? GJ HOH . ? C HOH 740 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 NB ? QC CLA . ? C CLA 505 ? 1_555 100.0 ? +310 NA ? QC CLA . ? C CLA 505 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 NB ? QC CLA . ? C CLA 505 ? 1_555 90.5 ? +311 O ? GJ HOH . ? C HOH 740 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 NC ? QC CLA . ? C CLA 505 ? 1_555 99.0 ? +312 NA ? QC CLA . ? C CLA 505 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 NC ? QC CLA . ? C CLA 505 ? 1_555 164.8 ? +313 NB ? QC CLA . ? C CLA 505 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 NC ? QC CLA . ? C CLA 505 ? 1_555 92.5 ? +314 O ? GJ HOH . ? C HOH 740 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 ND ? QC CLA . ? C CLA 505 ? 1_555 94.9 ? +315 NA ? QC CLA . ? C CLA 505 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 ND ? QC CLA . ? C CLA 505 ? 1_555 91.5 ? +316 NB ? QC CLA . ? C CLA 505 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 ND ? QC CLA . ? C CLA 505 ? 1_555 164.7 ? +317 NC ? QC CLA . ? C CLA 505 ? 1_555 MG ? QC CLA . ? C CLA 505 ? 1_555 ND ? QC CLA . ? C CLA 505 ? 1_555 81.8 ? +318 O ? GJ HOH . ? C HOH 631 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 NA ? TC CLA . ? C CLA 508 ? 1_555 92.2 ? +319 O ? GJ HOH . ? C HOH 631 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 NB ? TC CLA . ? C CLA 508 ? 1_555 102.8 ? +320 NA ? TC CLA . ? C CLA 508 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 NB ? TC CLA . ? C CLA 508 ? 1_555 88.8 ? +321 O ? GJ HOH . ? C HOH 631 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 NC ? TC CLA . ? C CLA 508 ? 1_555 103.3 ? +322 NA ? TC CLA . ? C CLA 508 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 NC ? TC CLA . ? C CLA 508 ? 1_555 163.1 ? +323 NB ? TC CLA . ? C CLA 508 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 NC ? TC CLA . ? C CLA 508 ? 1_555 94.3 ? +324 O ? GJ HOH . ? C HOH 631 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 ND ? TC CLA . ? C CLA 508 ? 1_555 92.8 ? +325 NA ? TC CLA . ? C CLA 508 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 ND ? TC CLA . ? C CLA 508 ? 1_555 92.6 ? +326 NB ? TC CLA . ? C CLA 508 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 ND ? TC CLA . ? C CLA 508 ? 1_555 164.4 ? +327 NC ? TC CLA . ? C CLA 508 ? 1_555 MG ? TC CLA . ? C CLA 508 ? 1_555 ND ? TC CLA . ? C CLA 508 ? 1_555 80.1 ? +328 O4 ? UD LMG . ? D LMG 411 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? JJ HOH . ? F HOH 202 ? 1_555 90.7 ? +329 O4 ? UD LMG . ? D LMG 411 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I GLY 30 ? J GLY 30 ? 1_555 82.1 ? +330 O ? JJ HOH . ? F HOH 202 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I GLY 30 ? J GLY 30 ? 1_555 153.1 ? +331 O4 ? UD LMG . ? D LMG 411 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I ALA 33 ? J ALA 33 ? 1_555 155.3 ? +332 O ? JJ HOH . ? F HOH 202 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I ALA 33 ? J ALA 33 ? 1_555 101.2 ? +333 O ? I GLY 30 ? J GLY 30 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I ALA 33 ? J ALA 33 ? 1_555 77.5 ? +334 O4 ? UD LMG . ? D LMG 411 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I LEU 35 ? J LEU 35 ? 1_555 98.8 ? +335 O ? JJ HOH . ? F HOH 202 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I LEU 35 ? J LEU 35 ? 1_555 95.5 ? +336 O ? I GLY 30 ? J GLY 30 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I LEU 35 ? J LEU 35 ? 1_555 111.1 ? +337 O ? I ALA 33 ? J ALA 33 ? 1_555 MG ? FE MG . ? J MG 102 ? 1_555 O ? I LEU 35 ? J LEU 35 ? 1_555 101.5 ? +338 NE2 ? E HIS 23 ? E HIS 23 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NA ? XD HEM . ? E HEM 102 ? 1_555 90.1 ? +339 NE2 ? E HIS 23 ? E HIS 23 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NB ? XD HEM . ? E HEM 102 ? 1_555 91.6 ? +340 NA ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NB ? XD HEM . ? E HEM 102 ? 1_555 88.5 ? +341 NE2 ? E HIS 23 ? E HIS 23 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NC ? XD HEM . ? E HEM 102 ? 1_555 87.9 ? +342 NA ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NC ? XD HEM . ? E HEM 102 ? 1_555 175.6 ? +343 NB ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NC ? XD HEM . ? E HEM 102 ? 1_555 87.7 ? +344 NE2 ? E HIS 23 ? E HIS 23 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 ND ? XD HEM . ? E HEM 102 ? 1_555 83.6 ? +345 NA ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 ND ? XD HEM . ? E HEM 102 ? 1_555 92.7 ? +346 NB ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 ND ? XD HEM . ? E HEM 102 ? 1_555 175.1 ? +347 NC ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 ND ? XD HEM . ? E HEM 102 ? 1_555 90.9 ? +348 NE2 ? E HIS 23 ? E HIS 23 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NE2 ? F HIS 23 ? F HIS 24 ? 1_555 172.6 ? +349 NA ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NE2 ? F HIS 23 ? F HIS 24 ? 1_555 86.3 ? +350 NB ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NE2 ? F HIS 23 ? F HIS 24 ? 1_555 94.8 ? +351 NC ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NE2 ? F HIS 23 ? F HIS 24 ? 1_555 96.1 ? +352 ND ? XD HEM . ? E HEM 102 ? 1_555 FE ? XD HEM . ? E HEM 102 ? 1_555 NE2 ? F HIS 23 ? F HIS 24 ? 1_555 90.0 ? +353 O ? M THR 136 ? O THR 138 ? 1_555 CA ? LE CA . ? O CA 301 ? 1_555 OD2 ? M ASP 139 ? O ASP 141 ? 1_555 148.0 ? +354 O ? M THR 136 ? O THR 138 ? 1_555 CA ? LE CA . ? O CA 301 ? 1_555 O ? M VAL 199 ? O VAL 201 ? 1_555 69.9 ? +355 OD2 ? M ASP 139 ? O ASP 141 ? 1_555 CA ? LE CA . ? O CA 301 ? 1_555 O ? M VAL 199 ? O VAL 201 ? 1_555 115.2 ? +356 O ? M THR 136 ? O THR 138 ? 1_555 CA ? LE CA . ? O CA 301 ? 1_555 O ? QJ HOH . ? O HOH 422 ? 1_555 62.7 ? +357 OD2 ? M ASP 139 ? O ASP 141 ? 1_555 CA ? LE CA . ? O CA 301 ? 1_555 O ? QJ HOH . ? O HOH 422 ? 1_555 149.0 ? +358 O ? M VAL 199 ? O VAL 201 ? 1_555 CA ? LE CA . ? O CA 301 ? 1_555 O ? QJ HOH . ? O HOH 422 ? 1_555 61.6 ? +359 NE2 ? P HIS 41 ? V HIS 41 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NA ? QE HEC . ? V HEC 201 ? 1_555 94.2 ? +360 NE2 ? P HIS 41 ? V HIS 41 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NB ? QE HEC . ? V HEC 201 ? 1_555 86.7 ? +361 NA ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NB ? QE HEC . ? V HEC 201 ? 1_555 92.2 ? +362 NE2 ? P HIS 41 ? V HIS 41 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NC ? QE HEC . ? V HEC 201 ? 1_555 83.7 ? +363 NA ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NC ? QE HEC . ? V HEC 201 ? 1_555 177.8 ? +364 NB ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NC ? QE HEC . ? V HEC 201 ? 1_555 88.1 ? +365 NE2 ? P HIS 41 ? V HIS 41 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 ND ? QE HEC . ? V HEC 201 ? 1_555 89.7 ? +366 NA ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 ND ? QE HEC . ? V HEC 201 ? 1_555 88.9 ? +367 NB ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 ND ? QE HEC . ? V HEC 201 ? 1_555 176.3 ? +368 NC ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 ND ? QE HEC . ? V HEC 201 ? 1_555 90.6 ? +369 NE2 ? P HIS 41 ? V HIS 41 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NE2 ? P HIS 92 ? V HIS 92 ? 1_555 176.7 ? +370 NA ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NE2 ? P HIS 92 ? V HIS 92 ? 1_555 89.0 ? +371 NB ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NE2 ? P HIS 92 ? V HIS 92 ? 1_555 93.9 ? +372 NC ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NE2 ? P HIS 92 ? V HIS 92 ? 1_555 93.1 ? +373 ND ? QE HEC . ? V HEC 201 ? 1_555 FE ? QE HEC . ? V HEC 201 ? 1_555 NE2 ? P HIS 92 ? V HIS 92 ? 1_555 89.6 ? +374 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O1 A FF OEX . ? a OEX 411 ? 1_555 147.3 ? +375 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O2 A FF OEX . ? a OEX 411 ? 1_555 84.9 ? +376 O1 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O2 A FF OEX . ? a OEX 411 ? 1_555 62.9 ? +377 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 100.1 ? +378 O1 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 73.7 ? +379 O2 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 68.0 ? +380 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 OE1 A S GLU 189 ? a GLU 189 ? 1_555 144.3 ? +381 O1 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 OE1 A S GLU 189 ? a GLU 189 ? 1_555 68.3 ? +382 O2 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 OE1 A S GLU 189 ? a GLU 189 ? 1_555 129.6 ? +383 O5 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 OE1 A S GLU 189 ? a GLU 189 ? 1_555 87.6 ? +384 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A S ALA 344 ? a ALA 344 ? 1_555 92.9 ? +385 O1 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A S ALA 344 ? a ALA 344 ? 1_555 72.9 ? +386 O2 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A S ALA 344 ? a ALA 344 ? 1_555 71.3 ? +387 O5 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A S ALA 344 ? a ALA 344 ? 1_555 135.7 ? +388 OE1 A S GLU 189 ? a GLU 189 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A S ALA 344 ? a ALA 344 ? 1_555 105.8 ? +389 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 524 ? 1_555 94.4 ? +390 O1 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 524 ? 1_555 105.2 ? +391 O2 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 524 ? 1_555 136.5 ? +392 O5 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 524 ? 1_555 153.0 ? +393 OE1 A S GLU 189 ? a GLU 189 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 524 ? 1_555 67.7 ? +394 O A S ALA 344 ? a ALA 344 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 524 ? 1_555 65.3 ? +395 OD1 A S ASP 170 ? a ASP 170 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 79.4 ? +396 O1 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 128.4 ? +397 O2 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 139.7 ? +398 O5 A FF OEX . ? a OEX 411 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 78.6 ? +399 OE1 A S GLU 189 ? a GLU 189 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 68.0 ? +400 O A S ALA 344 ? a ALA 344 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 145.7 ? +401 O A VJ HOH . ? a HOH 524 ? 1_555 CA1 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 620 ? 1_555 81.9 ? +402 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O1 B FF OEX . ? a OEX 411 ? 1_555 141.5 ? +403 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O2 B FF OEX . ? a OEX 411 ? 1_555 79.1 ? +404 O1 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O2 B FF OEX . ? a OEX 411 ? 1_555 62.5 ? +405 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 89.6 ? +406 O1 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 75.9 ? +407 O2 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 63.7 ? +408 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 OE1 B S GLU 189 ? a GLU 189 ? 1_555 147.0 ? +409 O1 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 OE1 B S GLU 189 ? a GLU 189 ? 1_555 70.3 ? +410 O2 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 OE1 B S GLU 189 ? a GLU 189 ? 1_555 130.7 ? +411 O5 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 OE1 B S GLU 189 ? a GLU 189 ? 1_555 92.7 ? +412 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B S ALA 344 ? a ALA 344 ? 1_555 97.8 ? +413 O1 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B S ALA 344 ? a ALA 344 ? 1_555 72.5 ? +414 O2 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B S ALA 344 ? a ALA 344 ? 1_555 76.8 ? +415 O5 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B S ALA 344 ? a ALA 344 ? 1_555 137.6 ? +416 OE1 B S GLU 189 ? a GLU 189 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B S ALA 344 ? a ALA 344 ? 1_555 102.4 ? +417 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 524 ? 1_555 89.1 ? +418 O1 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 524 ? 1_555 121.9 ? +419 O2 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 524 ? 1_555 147.4 ? +420 O5 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 524 ? 1_555 147.3 ? +421 OE1 B S GLU 189 ? a GLU 189 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 524 ? 1_555 71.6 ? +422 O B S ALA 344 ? a ALA 344 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 524 ? 1_555 74.8 ? +423 OD1 B S ASP 170 ? a ASP 170 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 75.3 ? +424 O1 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 130.6 ? +425 O2 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 129.2 ? +426 O5 B FF OEX . ? a OEX 411 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 72.9 ? +427 OE1 B S GLU 189 ? a GLU 189 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 74.0 ? +428 O B S ALA 344 ? a ALA 344 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 149.3 ? +429 O B VJ HOH . ? a HOH 524 ? 1_555 CA1 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 620 ? 1_555 75.2 ? +430 OD2 A S ASP 170 ? a ASP 170 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 112.1 ? +431 OD2 A S ASP 170 ? a ASP 170 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O4 A FF OEX . ? a OEX 411 ? 1_555 95.5 ? +432 O5 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O4 A FF OEX . ? a OEX 411 ? 1_555 90.0 ? +433 OD2 A S ASP 170 ? a ASP 170 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 OE2 A S GLU 333 ? a GLU 333 ? 1_555 158.3 ? +434 O5 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 OE2 A S GLU 333 ? a GLU 333 ? 1_555 87.7 ? +435 O4 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 OE2 A S GLU 333 ? a GLU 333 ? 1_555 93.2 ? +436 OD2 A S ASP 170 ? a ASP 170 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 538 ? 1_555 81.3 ? +437 O5 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 538 ? 1_555 166.1 ? +438 O4 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 538 ? 1_555 92.7 ? +439 OE2 A S GLU 333 ? a GLU 333 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 538 ? 1_555 78.5 ? +440 OD2 A S ASP 170 ? a ASP 170 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 567 ? 1_555 88.1 ? +441 O5 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 567 ? 1_555 89.1 ? +442 O4 A FF OEX . ? a OEX 411 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 567 ? 1_555 176.3 ? +443 OE2 A S GLU 333 ? a GLU 333 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 567 ? 1_555 83.1 ? +444 O A VJ HOH . ? a HOH 538 ? 1_555 MN4 A FF OEX . ? a OEX 411 ? 1_555 O A VJ HOH . ? a HOH 567 ? 1_555 87.3 ? +445 OD2 B S ASP 170 ? a ASP 170 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 104.7 ? +446 OD2 B S ASP 170 ? a ASP 170 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O4 B FF OEX . ? a OEX 411 ? 1_555 93.1 ? +447 O5 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O4 B FF OEX . ? a OEX 411 ? 1_555 85.0 ? +448 OD2 B S ASP 170 ? a ASP 170 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 OE2 B S GLU 333 ? a GLU 333 ? 1_555 170.9 ? +449 O5 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 OE2 B S GLU 333 ? a GLU 333 ? 1_555 83.8 ? +450 O4 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 OE2 B S GLU 333 ? a GLU 333 ? 1_555 90.9 ? +451 OD2 B S ASP 170 ? a ASP 170 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 538 ? 1_555 82.5 ? +452 O5 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 538 ? 1_555 171.5 ? +453 O4 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 538 ? 1_555 90.1 ? +454 OE2 B S GLU 333 ? a GLU 333 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 538 ? 1_555 89.3 ? +455 OD2 B S ASP 170 ? a ASP 170 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 567 ? 1_555 92.8 ? +456 O5 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 567 ? 1_555 90.2 ? +457 O4 B FF OEX . ? a OEX 411 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 567 ? 1_555 173.2 ? +458 OE2 B S GLU 333 ? a GLU 333 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 567 ? 1_555 83.8 ? +459 O B VJ HOH . ? a HOH 538 ? 1_555 MN4 B FF OEX . ? a OEX 411 ? 1_555 O B VJ HOH . ? a HOH 567 ? 1_555 94.1 ? +460 OE2 A S GLU 189 ? a GLU 189 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 O1 A FF OEX . ? a OEX 411 ? 1_555 95.0 ? +461 OE2 A S GLU 189 ? a GLU 189 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 105.3 ? +462 O1 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 88.5 ? +463 OE2 A S GLU 189 ? a GLU 189 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 173.1 ? +464 O1 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 80.6 ? +465 O5 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 69.5 ? +466 OE2 A S GLU 189 ? a GLU 189 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 NE2 A S HIS 332 ? a HIS 332 ? 1_555 94.4 ? +467 O1 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 NE2 A S HIS 332 ? a HIS 332 ? 1_555 169.7 ? +468 O5 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 NE2 A S HIS 332 ? a HIS 332 ? 1_555 93.1 ? +469 O3 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 NE2 A S HIS 332 ? a HIS 332 ? 1_555 90.4 ? +470 OE2 A S GLU 189 ? a GLU 189 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 OD2 A S ASP 342 ? a ASP 342 ? 1_555 93.3 ? +471 O1 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 OD2 A S ASP 342 ? a ASP 342 ? 1_555 84.2 ? +472 O5 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 OD2 A S ASP 342 ? a ASP 342 ? 1_555 160.6 ? +473 O3 A FF OEX . ? a OEX 411 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 OD2 A S ASP 342 ? a ASP 342 ? 1_555 91.6 ? +474 NE2 A S HIS 332 ? a HIS 332 ? 1_555 MN1 A FF OEX . ? a OEX 411 ? 1_555 OD2 A S ASP 342 ? a ASP 342 ? 1_555 91.0 ? +475 OE2 B S GLU 189 ? a GLU 189 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 O1 B FF OEX . ? a OEX 411 ? 1_555 90.5 ? +476 OE2 B S GLU 189 ? a GLU 189 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 104.5 ? +477 O1 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 91.4 ? +478 OE2 B S GLU 189 ? a GLU 189 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 173.0 ? +479 O1 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 83.7 ? +480 O5 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 71.9 ? +481 OE2 B S GLU 189 ? a GLU 189 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 NE2 B S HIS 332 ? a HIS 332 ? 1_555 93.9 ? +482 O1 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 NE2 B S HIS 332 ? a HIS 332 ? 1_555 171.3 ? +483 O5 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 NE2 B S HIS 332 ? a HIS 332 ? 1_555 94.6 ? +484 O3 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 NE2 B S HIS 332 ? a HIS 332 ? 1_555 92.3 ? +485 OE2 B S GLU 189 ? a GLU 189 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 OD2 B S ASP 342 ? a ASP 342 ? 1_555 90.7 ? +486 O1 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 OD2 B S ASP 342 ? a ASP 342 ? 1_555 83.9 ? +487 O5 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 OD2 B S ASP 342 ? a ASP 342 ? 1_555 164.2 ? +488 O3 B FF OEX . ? a OEX 411 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 OD2 B S ASP 342 ? a ASP 342 ? 1_555 92.6 ? +489 NE2 B S HIS 332 ? a HIS 332 ? 1_555 MN1 B FF OEX . ? a OEX 411 ? 1_555 OD2 B S ASP 342 ? a ASP 342 ? 1_555 88.6 ? +490 NE2 A S HIS 215 ? a HIS 215 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 NE2 A S HIS 272 ? a HIS 272 ? 1_555 88.4 ? +491 NE2 A S HIS 215 ? a HIS 215 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 NE2 A V HIS 204 ? d HIS 214 ? 1_555 103.4 ? +492 NE2 A S HIS 272 ? a HIS 272 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 NE2 A V HIS 204 ? d HIS 214 ? 1_555 92.3 ? +493 NE2 A S HIS 215 ? a HIS 215 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 NE2 A V HIS 258 ? d HIS 268 ? 1_555 93.1 ? +494 NE2 A S HIS 272 ? a HIS 272 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 NE2 A V HIS 258 ? d HIS 268 ? 1_555 177.5 ? +495 NE2 A V HIS 204 ? d HIS 214 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 NE2 A V HIS 258 ? d HIS 268 ? 1_555 89.2 ? +496 NE2 A S HIS 215 ? a HIS 215 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O1 A RH BCT . ? d BCT 401 ? 1_555 164.0 ? +497 NE2 A S HIS 272 ? a HIS 272 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O1 A RH BCT . ? d BCT 401 ? 1_555 94.7 ? +498 NE2 A V HIS 204 ? d HIS 214 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O1 A RH BCT . ? d BCT 401 ? 1_555 92.2 ? +499 NE2 A V HIS 258 ? d HIS 268 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O1 A RH BCT . ? d BCT 401 ? 1_555 83.3 ? +500 NE2 A S HIS 215 ? a HIS 215 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O2 A RH BCT . ? d BCT 401 ? 1_555 106.0 ? +501 NE2 A S HIS 272 ? a HIS 272 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O2 A RH BCT . ? d BCT 401 ? 1_555 87.8 ? +502 NE2 A V HIS 204 ? d HIS 214 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O2 A RH BCT . ? d BCT 401 ? 1_555 150.7 ? +503 NE2 A V HIS 258 ? d HIS 268 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O2 A RH BCT . ? d BCT 401 ? 1_555 89.9 ? +504 O1 A RH BCT . ? d BCT 401 ? 1_555 FE A VE FE2 . ? a FE2 401 ? 1_555 O2 A RH BCT . ? d BCT 401 ? 1_555 58.6 ? +505 NE2 B S HIS 215 ? a HIS 215 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 NE2 B S HIS 272 ? a HIS 272 ? 1_555 89.1 ? +506 NE2 B S HIS 215 ? a HIS 215 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 NE2 B V HIS 204 ? d HIS 214 ? 1_555 101.9 ? +507 NE2 B S HIS 272 ? a HIS 272 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 NE2 B V HIS 204 ? d HIS 214 ? 1_555 93.5 ? +508 NE2 B S HIS 215 ? a HIS 215 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 NE2 B V HIS 258 ? d HIS 268 ? 1_555 93.7 ? +509 NE2 B S HIS 272 ? a HIS 272 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 NE2 B V HIS 258 ? d HIS 268 ? 1_555 176.4 ? +510 NE2 B V HIS 204 ? d HIS 214 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 NE2 B V HIS 258 ? d HIS 268 ? 1_555 88.1 ? +511 NE2 B S HIS 215 ? a HIS 215 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O1 B RH BCT . ? d BCT 401 ? 1_555 164.5 ? +512 NE2 B S HIS 272 ? a HIS 272 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O1 B RH BCT . ? d BCT 401 ? 1_555 96.6 ? +513 NE2 B V HIS 204 ? d HIS 214 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O1 B RH BCT . ? d BCT 401 ? 1_555 92.1 ? +514 NE2 B V HIS 258 ? d HIS 268 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O1 B RH BCT . ? d BCT 401 ? 1_555 80.1 ? +515 NE2 B S HIS 215 ? a HIS 215 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O2 B RH BCT . ? d BCT 401 ? 1_555 113.0 ? +516 NE2 B S HIS 272 ? a HIS 272 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O2 B RH BCT . ? d BCT 401 ? 1_555 85.7 ? +517 NE2 B V HIS 204 ? d HIS 214 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O2 B RH BCT . ? d BCT 401 ? 1_555 145.1 ? +518 NE2 B V HIS 258 ? d HIS 268 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O2 B RH BCT . ? d BCT 401 ? 1_555 91.2 ? +519 O1 B RH BCT . ? d BCT 401 ? 1_555 FE B VE FE2 . ? a FE2 401 ? 1_555 O2 B RH BCT . ? d BCT 401 ? 1_555 53.5 ? +520 OE1 A S GLU 333 ? a GLU 333 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O2 A FF OEX . ? a OEX 411 ? 1_555 166.8 ? +521 OE1 A S GLU 333 ? a GLU 333 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 84.9 ? +522 O2 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 84.3 ? +523 OE1 A S GLU 333 ? a GLU 333 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O4 A FF OEX . ? a OEX 411 ? 1_555 97.2 ? +524 O2 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O4 A FF OEX . ? a OEX 411 ? 1_555 93.1 ? +525 O3 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O4 A FF OEX . ? a OEX 411 ? 1_555 175.8 ? +526 OE1 A S GLU 333 ? a GLU 333 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 87.3 ? +527 O2 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 98.4 ? +528 O3 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 80.6 ? +529 O4 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 O5 A FF OEX . ? a OEX 411 ? 1_555 103.1 ? +530 OE1 A S GLU 333 ? a GLU 333 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 OE2 A U GLU 336 ? c GLU 354 ? 1_555 87.8 ? +531 O2 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 OE2 A U GLU 336 ? c GLU 354 ? 1_555 84.5 ? +532 O3 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 OE2 A U GLU 336 ? c GLU 354 ? 1_555 89.5 ? +533 O4 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 OE2 A U GLU 336 ? c GLU 354 ? 1_555 86.9 ? +534 O5 A FF OEX . ? a OEX 411 ? 1_555 MN3 A FF OEX . ? a OEX 411 ? 1_555 OE2 A U GLU 336 ? c GLU 354 ? 1_555 169.3 ? +535 OE1 B S GLU 333 ? a GLU 333 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O2 B FF OEX . ? a OEX 411 ? 1_555 163.9 ? +536 OE1 B S GLU 333 ? a GLU 333 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 80.0 ? +537 O2 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 85.0 ? +538 OE1 B S GLU 333 ? a GLU 333 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O4 B FF OEX . ? a OEX 411 ? 1_555 97.4 ? +539 O2 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O4 B FF OEX . ? a OEX 411 ? 1_555 97.2 ? +540 O3 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O4 B FF OEX . ? a OEX 411 ? 1_555 175.8 ? +541 OE1 B S GLU 333 ? a GLU 333 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 87.7 ? +542 O2 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 97.1 ? +543 O3 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 85.9 ? +544 O4 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 O5 B FF OEX . ? a OEX 411 ? 1_555 97.3 ? +545 OE1 B S GLU 333 ? a GLU 333 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 OE2 B U GLU 336 ? c GLU 354 ? 1_555 92.9 ? +546 O2 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 OE2 B U GLU 336 ? c GLU 354 ? 1_555 81.8 ? +547 O3 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 OE2 B U GLU 336 ? c GLU 354 ? 1_555 92.4 ? +548 O4 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 OE2 B U GLU 336 ? c GLU 354 ? 1_555 84.5 ? +549 O5 B FF OEX . ? a OEX 411 ? 1_555 MN3 B FF OEX . ? a OEX 411 ? 1_555 OE2 B U GLU 336 ? c GLU 354 ? 1_555 178.1 ? +550 OD1 A S ASP 342 ? a ASP 342 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 O1 A FF OEX . ? a OEX 411 ? 1_555 86.3 ? +551 OD1 A S ASP 342 ? a ASP 342 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 O2 A FF OEX . ? a OEX 411 ? 1_555 174.6 ? +552 O1 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 O2 A FF OEX . ? a OEX 411 ? 1_555 98.7 ? +553 OD1 A S ASP 342 ? a ASP 342 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 96.8 ? +554 O1 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 79.6 ? +555 O2 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 O3 A FF OEX . ? a OEX 411 ? 1_555 86.1 ? +556 OD1 A S ASP 342 ? a ASP 342 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OXT A S ALA 344 ? a ALA 344 ? 1_555 85.2 ? +557 O1 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OXT A S ALA 344 ? a ALA 344 ? 1_555 94.4 ? +558 O2 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OXT A S ALA 344 ? a ALA 344 ? 1_555 92.4 ? +559 O3 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OXT A S ALA 344 ? a ALA 344 ? 1_555 173.5 ? +560 OD1 A S ASP 342 ? a ASP 342 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OE1 A U GLU 336 ? c GLU 354 ? 1_555 89.6 ? +561 O1 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OE1 A U GLU 336 ? c GLU 354 ? 1_555 173.0 ? +562 O2 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OE1 A U GLU 336 ? c GLU 354 ? 1_555 85.6 ? +563 O3 A FF OEX . ? a OEX 411 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OE1 A U GLU 336 ? c GLU 354 ? 1_555 95.2 ? +564 OXT A S ALA 344 ? a ALA 344 ? 1_555 MN2 A FF OEX . ? a OEX 411 ? 1_555 OE1 A U GLU 336 ? c GLU 354 ? 1_555 91.0 ? +565 OD1 B S ASP 342 ? a ASP 342 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 O1 B FF OEX . ? a OEX 411 ? 1_555 80.0 ? +566 OD1 B S ASP 342 ? a ASP 342 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 O2 B FF OEX . ? a OEX 411 ? 1_555 175.8 ? +567 O1 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 O2 B FF OEX . ? a OEX 411 ? 1_555 102.4 ? +568 OD1 B S ASP 342 ? a ASP 342 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 92.1 ? +569 O1 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 81.5 ? +570 O2 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 O3 B FF OEX . ? a OEX 411 ? 1_555 84.9 ? +571 OD1 B S ASP 342 ? a ASP 342 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OXT B S ALA 344 ? a ALA 344 ? 1_555 90.6 ? +572 O1 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OXT B S ALA 344 ? a ALA 344 ? 1_555 93.0 ? +573 O2 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OXT B S ALA 344 ? a ALA 344 ? 1_555 92.7 ? +574 O3 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OXT B S ALA 344 ? a ALA 344 ? 1_555 173.4 ? +575 OD1 B S ASP 342 ? a ASP 342 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OE1 B U GLU 336 ? c GLU 354 ? 1_555 92.7 ? +576 O1 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OE1 B U GLU 336 ? c GLU 354 ? 1_555 171.3 ? +577 O2 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OE1 B U GLU 336 ? c GLU 354 ? 1_555 84.7 ? +578 O3 B FF OEX . ? a OEX 411 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OE1 B U GLU 336 ? c GLU 354 ? 1_555 94.3 ? +579 OXT B S ALA 344 ? a ALA 344 ? 1_555 MN2 B FF OEX . ? a OEX 411 ? 1_555 OE1 B U GLU 336 ? c GLU 354 ? 1_555 91.7 ? +580 O ? VJ HOH . ? a HOH 608 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 NA A ZE CLA . ? a CLA 405 ? 1_555 91.6 ? +581 O ? VJ HOH . ? a HOH 608 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 NB A ZE CLA . ? a CLA 405 ? 1_555 106.6 ? +582 NA A ZE CLA . ? a CLA 405 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 NB A ZE CLA . ? a CLA 405 ? 1_555 89.4 ? +583 O ? VJ HOH . ? a HOH 608 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 NC A ZE CLA . ? a CLA 405 ? 1_555 104.3 ? +584 NA A ZE CLA . ? a CLA 405 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 NC A ZE CLA . ? a CLA 405 ? 1_555 162.4 ? +585 NB A ZE CLA . ? a CLA 405 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 NC A ZE CLA . ? a CLA 405 ? 1_555 93.1 ? +586 O ? VJ HOH . ? a HOH 608 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 90.5 ? +587 NA A ZE CLA . ? a CLA 405 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 91.3 ? +588 NB A ZE CLA . ? a CLA 405 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 162.9 ? +589 NC A ZE CLA . ? a CLA 405 ? 1_555 MG A ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 81.3 ? +590 O ? VJ HOH . ? a HOH 608 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 NA A ZE CLA . ? a CLA 405 ? 1_555 90.7 ? +591 O ? VJ HOH . ? a HOH 608 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 NB A ZE CLA . ? a CLA 405 ? 1_555 107.4 ? +592 NA A ZE CLA . ? a CLA 405 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 NB A ZE CLA . ? a CLA 405 ? 1_555 89.9 ? +593 O ? VJ HOH . ? a HOH 608 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 NC A ZE CLA . ? a CLA 405 ? 1_555 104.4 ? +594 NA A ZE CLA . ? a CLA 405 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 NC A ZE CLA . ? a CLA 405 ? 1_555 162.1 ? +595 NB A ZE CLA . ? a CLA 405 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 NC A ZE CLA . ? a CLA 405 ? 1_555 94.6 ? +596 O ? VJ HOH . ? a HOH 608 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 89.2 ? +597 NA A ZE CLA . ? a CLA 405 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 89.9 ? +598 NB A ZE CLA . ? a CLA 405 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 163.4 ? +599 NC A ZE CLA . ? a CLA 405 ? 1_555 MG B ZE CLA . ? a CLA 405 ? 1_555 ND A ZE CLA . ? a CLA 405 ? 1_555 80.9 ? +600 O A VJ HOH . ? a HOH 563 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 NA A SH CLA . ? d CLA 402 ? 1_555 96.4 ? +601 O A VJ HOH . ? a HOH 563 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 NB A SH CLA . ? d CLA 402 ? 1_555 102.4 ? +602 NA A SH CLA . ? d CLA 402 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 NB A SH CLA . ? d CLA 402 ? 1_555 88.4 ? +603 O A VJ HOH . ? a HOH 563 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 NC A SH CLA . ? d CLA 402 ? 1_555 102.0 ? +604 NA A SH CLA . ? d CLA 402 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 NC A SH CLA . ? d CLA 402 ? 1_555 160.7 ? +605 NB A SH CLA . ? d CLA 402 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 NC A SH CLA . ? d CLA 402 ? 1_555 93.2 ? +606 O A VJ HOH . ? a HOH 563 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 ND A SH CLA . ? d CLA 402 ? 1_555 95.9 ? +607 NA A SH CLA . ? d CLA 402 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 ND A SH CLA . ? d CLA 402 ? 1_555 92.2 ? +608 NB A SH CLA . ? d CLA 402 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 ND A SH CLA . ? d CLA 402 ? 1_555 161.5 ? +609 NC A SH CLA . ? d CLA 402 ? 1_555 MG A SH CLA . ? d CLA 402 ? 1_555 ND A SH CLA . ? d CLA 402 ? 1_555 80.3 ? +610 O B VJ HOH . ? a HOH 563 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 NA B SH CLA . ? d CLA 402 ? 1_555 95.7 ? +611 O B VJ HOH . ? a HOH 563 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 NB B SH CLA . ? d CLA 402 ? 1_555 100.2 ? +612 NA B SH CLA . ? d CLA 402 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 NB B SH CLA . ? d CLA 402 ? 1_555 88.9 ? +613 O B VJ HOH . ? a HOH 563 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 NC B SH CLA . ? d CLA 402 ? 1_555 100.6 ? +614 NA B SH CLA . ? d CLA 402 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 NC B SH CLA . ? d CLA 402 ? 1_555 162.8 ? +615 NB B SH CLA . ? d CLA 402 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 NC B SH CLA . ? d CLA 402 ? 1_555 93.5 ? +616 O B VJ HOH . ? a HOH 563 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 ND B SH CLA . ? d CLA 402 ? 1_555 95.7 ? +617 NA B SH CLA . ? d CLA 402 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 ND B SH CLA . ? d CLA 402 ? 1_555 92.5 ? +618 NB B SH CLA . ? d CLA 402 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 ND B SH CLA . ? d CLA 402 ? 1_555 163.8 ? +619 NC B SH CLA . ? d CLA 402 ? 1_555 MG B SH CLA . ? d CLA 402 ? 1_555 ND B SH CLA . ? d CLA 402 ? 1_555 80.5 ? +620 O ? WJ HOH . ? b HOH 707 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 NA ? OF CLA . ? b CLA 601 ? 1_555 88.8 ? +621 O ? WJ HOH . ? b HOH 707 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 NB ? OF CLA . ? b CLA 601 ? 1_555 100.5 ? +622 NA ? OF CLA . ? b CLA 601 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 NB ? OF CLA . ? b CLA 601 ? 1_555 89.8 ? +623 O ? WJ HOH . ? b HOH 707 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 NC ? OF CLA . ? b CLA 601 ? 1_555 105.8 ? +624 NA ? OF CLA . ? b CLA 601 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 NC ? OF CLA . ? b CLA 601 ? 1_555 164.0 ? +625 NB ? OF CLA . ? b CLA 601 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 NC ? OF CLA . ? b CLA 601 ? 1_555 93.8 ? +626 O ? WJ HOH . ? b HOH 707 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 ND ? OF CLA . ? b CLA 601 ? 1_555 93.9 ? +627 NA ? OF CLA . ? b CLA 601 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 ND ? OF CLA . ? b CLA 601 ? 1_555 92.0 ? +628 NB ? OF CLA . ? b CLA 601 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 ND ? OF CLA . ? b CLA 601 ? 1_555 165.5 ? +629 NC ? OF CLA . ? b CLA 601 ? 1_555 MG ? OF CLA . ? b CLA 601 ? 1_555 ND ? OF CLA . ? b CLA 601 ? 1_555 80.7 ? +630 O ? WJ HOH . ? b HOH 867 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 NA ? UF CLA . ? b CLA 607 ? 1_555 96.6 ? +631 O ? WJ HOH . ? b HOH 867 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 NB ? UF CLA . ? b CLA 607 ? 1_555 101.0 ? +632 NA ? UF CLA . ? b CLA 607 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 NB ? UF CLA . ? b CLA 607 ? 1_555 88.9 ? +633 O ? WJ HOH . ? b HOH 867 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 NC ? UF CLA . ? b CLA 607 ? 1_555 101.1 ? +634 NA ? UF CLA . ? b CLA 607 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 NC ? UF CLA . ? b CLA 607 ? 1_555 161.7 ? +635 NB ? UF CLA . ? b CLA 607 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 NC ? UF CLA . ? b CLA 607 ? 1_555 92.5 ? +636 O ? WJ HOH . ? b HOH 867 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 ND ? UF CLA . ? b CLA 607 ? 1_555 96.9 ? +637 NA ? UF CLA . ? b CLA 607 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 ND ? UF CLA . ? b CLA 607 ? 1_555 91.2 ? +638 NB ? UF CLA . ? b CLA 607 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 ND ? UF CLA . ? b CLA 607 ? 1_555 162.0 ? +639 NC ? UF CLA . ? b CLA 607 ? 1_555 MG ? UF CLA . ? b CLA 607 ? 1_555 ND ? UF CLA . ? b CLA 607 ? 1_555 82.0 ? +640 O ? WJ HOH . ? b HOH 775 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 NA ? XF CLA . ? b CLA 610 ? 1_555 98.0 ? +641 O ? WJ HOH . ? b HOH 775 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 NB ? XF CLA . ? b CLA 610 ? 1_555 94.0 ? +642 NA ? XF CLA . ? b CLA 610 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 NB ? XF CLA . ? b CLA 610 ? 1_555 90.3 ? +643 O ? WJ HOH . ? b HOH 775 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 NC ? XF CLA . ? b CLA 610 ? 1_555 95.6 ? +644 NA ? XF CLA . ? b CLA 610 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 NC ? XF CLA . ? b CLA 610 ? 1_555 165.4 ? +645 NB ? XF CLA . ? b CLA 610 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 NC ? XF CLA . ? b CLA 610 ? 1_555 94.1 ? +646 O ? WJ HOH . ? b HOH 775 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 ND ? XF CLA . ? b CLA 610 ? 1_555 98.6 ? +647 NA ? XF CLA . ? b CLA 610 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 ND ? XF CLA . ? b CLA 610 ? 1_555 92.0 ? +648 NB ? XF CLA . ? b CLA 610 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 ND ? XF CLA . ? b CLA 610 ? 1_555 166.7 ? +649 NC ? XF CLA . ? b CLA 610 ? 1_555 MG ? XF CLA . ? b CLA 610 ? 1_555 ND ? XF CLA . ? b CLA 610 ? 1_555 80.7 ? +650 O ? U PHE 4 ? c PHE 22 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? U THR 6 ? c THR 24 ? 1_555 88.3 ? +651 O ? U PHE 4 ? c PHE 22 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OD1 ? U ASP 9 ? c ASP 27 ? 1_555 133.4 ? +652 O ? U THR 6 ? c THR 24 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OD1 ? U ASP 9 ? c ASP 27 ? 1_555 95.7 ? +653 O ? U PHE 4 ? c PHE 22 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OD2 ? U ASP 9 ? c ASP 27 ? 1_555 85.3 ? +654 O ? U THR 6 ? c THR 24 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OD2 ? U ASP 9 ? c ASP 27 ? 1_555 79.5 ? +655 OD1 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OD2 ? U ASP 9 ? c ASP 27 ? 1_555 50.3 ? +656 O ? U PHE 4 ? c PHE 22 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OE1 ? U GLU 11 ? c GLU 29 ? 1_555 100.9 ? +657 O ? U THR 6 ? c THR 24 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OE1 ? U GLU 11 ? c GLU 29 ? 1_555 170.3 ? +658 OD1 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OE1 ? U GLU 11 ? c GLU 29 ? 1_555 80.2 ? +659 OD2 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OE1 ? U GLU 11 ? c GLU 29 ? 1_555 104.0 ? +660 O ? U PHE 4 ? c PHE 22 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OG ? U SER 12 ? c SER 30 ? 1_555 151.9 ? +661 O ? U THR 6 ? c THR 24 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OG ? U SER 12 ? c SER 30 ? 1_555 84.9 ? +662 OD1 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OG ? U SER 12 ? c SER 30 ? 1_555 74.6 ? +663 OD2 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OG ? U SER 12 ? c SER 30 ? 1_555 120.0 ? +664 OE1 ? U GLU 11 ? c GLU 29 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 OG ? U SER 12 ? c SER 30 ? 1_555 85.5 ? +665 O ? U PHE 4 ? c PHE 22 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? XJ HOH . ? c HOH 726 ? 1_555 76.0 ? +666 O ? U THR 6 ? c THR 24 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? XJ HOH . ? c HOH 726 ? 1_555 79.4 ? +667 OD1 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? XJ HOH . ? c HOH 726 ? 1_555 150.4 ? +668 OD2 ? U ASP 9 ? c ASP 27 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? XJ HOH . ? c HOH 726 ? 1_555 152.1 ? +669 OE1 ? U GLU 11 ? c GLU 29 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? XJ HOH . ? c HOH 726 ? 1_555 99.8 ? +670 OG ? U SER 12 ? c SER 30 ? 1_555 CA ? NH CA . ? c CA 523 ? 1_555 O ? XJ HOH . ? c HOH 726 ? 1_555 75.9 ? +671 OD1 ? U ASN 21 ? c ASN 39 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 NA ? BH CLA . ? c CLA 511 ? 1_555 102.3 ? +672 OD1 ? U ASN 21 ? c ASN 39 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 NB ? BH CLA . ? c CLA 511 ? 1_555 102.4 ? +673 NA ? BH CLA . ? c CLA 511 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 NB ? BH CLA . ? c CLA 511 ? 1_555 89.1 ? +674 OD1 ? U ASN 21 ? c ASN 39 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 NC ? BH CLA . ? c CLA 511 ? 1_555 93.1 ? +675 NA ? BH CLA . ? c CLA 511 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 NC ? BH CLA . ? c CLA 511 ? 1_555 163.2 ? +676 NB ? BH CLA . ? c CLA 511 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 NC ? BH CLA . ? c CLA 511 ? 1_555 94.0 ? +677 OD1 ? U ASN 21 ? c ASN 39 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 ND ? BH CLA . ? c CLA 511 ? 1_555 94.3 ? +678 NA ? BH CLA . ? c CLA 511 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 ND ? BH CLA . ? c CLA 511 ? 1_555 91.2 ? +679 NB ? BH CLA . ? c CLA 511 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 ND ? BH CLA . ? c CLA 511 ? 1_555 162.7 ? +680 NC ? BH CLA . ? c CLA 511 ? 1_555 MG ? BH CLA . ? c CLA 511 ? 1_555 ND ? BH CLA . ? c CLA 511 ? 1_555 80.9 ? +681 O ? U ASN 137 ? c ASN 155 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 OG1 ? U THR 140 ? c THR 158 ? 1_555 61.8 ? +682 O ? U ASN 137 ? c ASN 155 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 OG1 ? U THR 141 ? c THR 159 ? 1_555 63.2 ? +683 OG1 ? U THR 140 ? c THR 158 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 OG1 ? U THR 141 ? c THR 159 ? 1_555 110.2 ? +684 O ? U ASN 137 ? c ASN 155 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U HIS 233 ? c HIS 251 ? 1_555 119.8 ? +685 OG1 ? U THR 140 ? c THR 158 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U HIS 233 ? c HIS 251 ? 1_555 77.2 ? +686 OG1 ? U THR 141 ? c THR 159 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U HIS 233 ? c HIS 251 ? 1_555 96.6 ? +687 O ? U ASN 137 ? c ASN 155 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U ILE 234 ? c ILE 252 ? 1_555 136.9 ? +688 OG1 ? U THR 140 ? c THR 158 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U ILE 234 ? c ILE 252 ? 1_555 152.4 ? +689 OG1 ? U THR 141 ? c THR 159 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U ILE 234 ? c ILE 252 ? 1_555 75.7 ? +690 O ? U HIS 233 ? c HIS 251 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U ILE 234 ? c ILE 252 ? 1_555 75.3 ? +691 O ? U ASN 137 ? c ASN 155 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U THR 236 ? c THR 254 ? 1_555 130.6 ? +692 OG1 ? U THR 140 ? c THR 158 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U THR 236 ? c THR 254 ? 1_555 84.8 ? +693 OG1 ? U THR 141 ? c THR 159 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U THR 236 ? c THR 254 ? 1_555 164.5 ? +694 O ? U HIS 233 ? c HIS 251 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U THR 236 ? c THR 254 ? 1_555 82.5 ? +695 O ? U ILE 234 ? c ILE 252 ? 1_555 CA ? MH CA . ? c CA 522 ? 1_555 O ? U THR 236 ? c THR 254 ? 1_555 89.2 ? +696 O ? XJ HOH . ? c HOH 729 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 NA ? UG CLA . ? c CLA 504 ? 1_555 93.0 ? +697 O ? XJ HOH . ? c HOH 729 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 NB ? UG CLA . ? c CLA 504 ? 1_555 98.8 ? +698 NA ? UG CLA . ? c CLA 504 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 NB ? UG CLA . ? c CLA 504 ? 1_555 89.0 ? +699 O ? XJ HOH . ? c HOH 729 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 NC ? UG CLA . ? c CLA 504 ? 1_555 99.5 ? +700 NA ? UG CLA . ? c CLA 504 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 NC ? UG CLA . ? c CLA 504 ? 1_555 166.4 ? +701 NB ? UG CLA . ? c CLA 504 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 NC ? UG CLA . ? c CLA 504 ? 1_555 94.6 ? +702 O ? XJ HOH . ? c HOH 729 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 ND ? UG CLA . ? c CLA 504 ? 1_555 95.3 ? +703 NA ? UG CLA . ? c CLA 504 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 ND ? UG CLA . ? c CLA 504 ? 1_555 92.0 ? +704 NB ? UG CLA . ? c CLA 504 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 ND ? UG CLA . ? c CLA 504 ? 1_555 165.8 ? +705 NC ? UG CLA . ? c CLA 504 ? 1_555 MG ? UG CLA . ? c CLA 504 ? 1_555 ND ? UG CLA . ? c CLA 504 ? 1_555 81.3 ? +706 O ? XJ HOH . ? c HOH 626 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 NA ? XG CLA . ? c CLA 507 ? 1_555 86.1 ? +707 O ? XJ HOH . ? c HOH 626 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 NB ? XG CLA . ? c CLA 507 ? 1_555 99.2 ? +708 NA ? XG CLA . ? c CLA 507 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 NB ? XG CLA . ? c CLA 507 ? 1_555 90.1 ? +709 O ? XJ HOH . ? c HOH 626 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 NC ? XG CLA . ? c CLA 507 ? 1_555 107.9 ? +710 NA ? XG CLA . ? c CLA 507 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 NC ? XG CLA . ? c CLA 507 ? 1_555 164.6 ? +711 NB ? XG CLA . ? c CLA 507 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 NC ? XG CLA . ? c CLA 507 ? 1_555 93.7 ? +712 O ? XJ HOH . ? c HOH 626 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 ND ? XG CLA . ? c CLA 507 ? 1_555 92.8 ? +713 NA ? XG CLA . ? c CLA 507 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 ND ? XG CLA . ? c CLA 507 ? 1_555 91.4 ? +714 NB ? XG CLA . ? c CLA 507 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 ND ? XG CLA . ? c CLA 507 ? 1_555 167.9 ? +715 NC ? XG CLA . ? c CLA 507 ? 1_555 MG ? XG CLA . ? c CLA 507 ? 1_555 ND ? XG CLA . ? c CLA 507 ? 1_555 81.9 ? +716 O4 ? CI LMG . ? d LMG 412 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AK HOH . ? f HOH 202 ? 1_555 87.3 ? +717 O4 ? CI LMG . ? d LMG 412 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA GLY 30 ? j GLY 30 ? 1_555 77.2 ? +718 O ? AK HOH . ? f HOH 202 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA GLY 30 ? j GLY 30 ? 1_555 153.3 ? +719 O4 ? CI LMG . ? d LMG 412 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA ALA 33 ? j ALA 33 ? 1_555 156.6 ? +720 O ? AK HOH . ? f HOH 202 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA ALA 33 ? j ALA 33 ? 1_555 105.1 ? +721 O ? AA GLY 30 ? j GLY 30 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA ALA 33 ? j ALA 33 ? 1_555 83.4 ? +722 O4 ? CI LMG . ? d LMG 412 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA LEU 35 ? j LEU 35 ? 1_555 89.0 ? +723 O ? AK HOH . ? f HOH 202 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA LEU 35 ? j LEU 35 ? 1_555 93.5 ? +724 O ? AA GLY 30 ? j GLY 30 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA LEU 35 ? j LEU 35 ? 1_555 107.7 ? +725 O ? AA ALA 33 ? j ALA 33 ? 1_555 MG ? NI MG . ? j MG 102 ? 1_555 O ? AA LEU 35 ? j LEU 35 ? 1_555 109.4 ? +726 NE2 ? W HIS 23 ? e HIS 23 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NA ? GI HEM . ? f HEM 101 ? 1_555 88.4 ? +727 NE2 ? W HIS 23 ? e HIS 23 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NB ? GI HEM . ? f HEM 101 ? 1_555 88.4 ? +728 NA ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NB ? GI HEM . ? f HEM 101 ? 1_555 87.9 ? +729 NE2 ? W HIS 23 ? e HIS 23 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NC ? GI HEM . ? f HEM 101 ? 1_555 87.9 ? +730 NA ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NC ? GI HEM . ? f HEM 101 ? 1_555 174.0 ? +731 NB ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NC ? GI HEM . ? f HEM 101 ? 1_555 87.2 ? +732 NE2 ? W HIS 23 ? e HIS 23 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 ND ? GI HEM . ? f HEM 101 ? 1_555 85.3 ? +733 NA ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 ND ? GI HEM . ? f HEM 101 ? 1_555 93.3 ? +734 NB ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 ND ? GI HEM . ? f HEM 101 ? 1_555 173.6 ? +735 NC ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 ND ? GI HEM . ? f HEM 101 ? 1_555 91.2 ? +736 NE2 ? W HIS 23 ? e HIS 23 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NE2 ? X HIS 23 ? f HIS 24 ? 1_555 170.8 ? +737 NA ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NE2 ? X HIS 23 ? f HIS 24 ? 1_555 82.5 ? +738 NB ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NE2 ? X HIS 23 ? f HIS 24 ? 1_555 92.2 ? +739 NC ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NE2 ? X HIS 23 ? f HIS 24 ? 1_555 101.3 ? +740 ND ? GI HEM . ? f HEM 101 ? 1_555 FE ? GI HEM . ? f HEM 101 ? 1_555 NE2 ? X HIS 23 ? f HIS 24 ? 1_555 94.2 ? +741 O ? X ARG 44 ? f ARG 45 ? 1_555 CA ? II CA . ? f CA 103 ? 1_555 OXT ? X ARG 44 ? f ARG 45 ? 1_555 40.4 ? +742 O ? X ARG 44 ? f ARG 45 ? 1_555 CA ? II CA . ? f CA 103 ? 1_555 OE2 ? HA GLU 23 ? v GLU 23 ? 1_555 167.4 ? +743 OXT ? X ARG 44 ? f ARG 45 ? 1_555 CA ? II CA . ? f CA 103 ? 1_555 OE2 ? HA GLU 23 ? v GLU 23 ? 1_555 127.1 ? +744 O ? X ARG 44 ? f ARG 45 ? 1_555 CA ? II CA . ? f CA 103 ? 1_555 O ? KK HOH . ? v HOH 313 ? 1_555 66.3 ? +745 OXT ? X ARG 44 ? f ARG 45 ? 1_555 CA ? II CA . ? f CA 103 ? 1_555 O ? KK HOH . ? v HOH 313 ? 1_555 101.1 ? +746 OE2 ? HA GLU 23 ? v GLU 23 ? 1_555 CA ? II CA . ? f CA 103 ? 1_555 O ? KK HOH . ? v HOH 313 ? 1_555 124.1 ? +747 O ? EA THR 136 ? o THR 138 ? 1_555 CA ? TI CA . ? o CA 301 ? 1_555 OD1 ? EA ASN 198 ? o ASN 200 ? 1_555 111.7 ? +748 O ? EA THR 136 ? o THR 138 ? 1_555 CA ? TI CA . ? o CA 301 ? 1_555 O ? EA VAL 199 ? o VAL 201 ? 1_555 67.5 ? +749 OD1 ? EA ASN 198 ? o ASN 200 ? 1_555 CA ? TI CA . ? o CA 301 ? 1_555 O ? EA VAL 199 ? o VAL 201 ? 1_555 65.8 ? +750 O ? EA THR 136 ? o THR 138 ? 1_555 CA ? TI CA . ? o CA 301 ? 1_555 O ? HK HOH . ? o HOH 401 ? 1_555 62.9 ? +751 OD1 ? EA ASN 198 ? o ASN 200 ? 1_555 CA ? TI CA . ? o CA 301 ? 1_555 O ? HK HOH . ? o HOH 401 ? 1_555 51.2 ? +752 O ? EA VAL 199 ? o VAL 201 ? 1_555 CA ? TI CA . ? o CA 301 ? 1_555 O ? HK HOH . ? o HOH 401 ? 1_555 59.6 ? +753 NE2 ? HA HIS 41 ? v HIS 41 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NA ? YI HEC . ? v HEC 201 ? 1_555 101.1 ? +754 NE2 ? HA HIS 41 ? v HIS 41 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NB ? YI HEC . ? v HEC 201 ? 1_555 90.0 ? +755 NA ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NB ? YI HEC . ? v HEC 201 ? 1_555 88.2 ? +756 NE2 ? HA HIS 41 ? v HIS 41 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NC ? YI HEC . ? v HEC 201 ? 1_555 78.3 ? +757 NA ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NC ? YI HEC . ? v HEC 201 ? 1_555 179.3 ? +758 NB ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NC ? YI HEC . ? v HEC 201 ? 1_555 91.4 ? +759 NE2 ? HA HIS 41 ? v HIS 41 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 ND ? YI HEC . ? v HEC 201 ? 1_555 87.7 ? +760 NA ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 ND ? YI HEC . ? v HEC 201 ? 1_555 92.8 ? +761 NB ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 ND ? YI HEC . ? v HEC 201 ? 1_555 177.7 ? +762 NC ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 ND ? YI HEC . ? v HEC 201 ? 1_555 87.6 ? +763 NE2 ? HA HIS 41 ? v HIS 41 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NE2 ? HA HIS 92 ? v HIS 92 ? 1_555 169.3 ? +764 NA ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NE2 ? HA HIS 92 ? v HIS 92 ? 1_555 88.5 ? +765 NB ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NE2 ? HA HIS 92 ? v HIS 92 ? 1_555 94.9 ? +766 NC ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NE2 ? HA HIS 92 ? v HIS 92 ? 1_555 92.1 ? +767 ND ? YI HEC . ? v HEC 201 ? 1_555 FE ? YI HEC . ? v HEC 201 ? 1_555 NE2 ? HA HIS 92 ? v HIS 92 ? 1_555 87.2 ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 TYR 42 O . ? TYR 42 U PRO 43 O ? PRO 43 U 1 5.15 +2 ALA 53 O . ? ALA 53 U PRO 54 O ? PRO 54 U 1 3.51 +3 THR 63 P . ? THR 63 V PRO 64 P ? PRO 64 V 1 -10.00 +4 TYR 42 GA . ? TYR 42 u PRO 43 GA ? PRO 43 u 1 7.97 +5 ALA 53 GA . ? ALA 53 u PRO 54 GA ? PRO 54 u 1 -4.72 +6 THR 63 HA . ? THR 63 v PRO 64 HA ? PRO 64 v 1 -4.34 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +AA1 ? 2 ? +AA2 ? 2 ? +AA3 ? 2 ? +AA4 ? 6 ? +AA5 ? 5 ? +AA6 ? 2 ? +AA7 ? 2 ? +AA8 ? 2 ? +AA9 ? 2 ? +AB1 ? 2 ? +AB2 ? 10 ? +AB3 ? 3 ? +AB4 ? 2 ? +AB5 ? 2 ? +AB6 ? 2 ? +AB7 ? 2 ? +AB8 ? 2 ? +AB9 ? 6 ? +AC1 ? 5 ? +AC2 ? 2 ? +AC3 ? 2 ? +AC4 ? 2 ? +AC5 ? 2 ? +AC6 ? 2 ? +AC7 ? 10 ? +AC8 ? 3 ? +AC9 ? 2 ? +AD1 ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +AA1 1 2 ? anti-parallel +AA2 1 2 ? parallel +AA3 1 2 ? anti-parallel +AA4 1 2 ? anti-parallel +AA4 2 3 ? anti-parallel +AA4 3 4 ? anti-parallel +AA4 4 5 ? anti-parallel +AA4 5 6 ? anti-parallel +AA5 1 2 ? anti-parallel +AA5 2 3 ? anti-parallel +AA5 3 4 ? anti-parallel +AA5 4 5 ? anti-parallel +AA6 1 2 ? anti-parallel +AA7 1 2 ? anti-parallel +AA8 1 2 ? anti-parallel +AA9 1 2 ? anti-parallel +AB1 1 2 ? anti-parallel +AB2 1 2 ? anti-parallel +AB2 2 3 ? anti-parallel +AB2 3 4 ? anti-parallel +AB2 4 5 ? anti-parallel +AB2 5 6 ? anti-parallel +AB2 6 7 ? anti-parallel +AB2 7 8 ? anti-parallel +AB2 8 9 ? anti-parallel +AB2 9 10 ? anti-parallel +AB3 1 2 ? anti-parallel +AB3 2 3 ? anti-parallel +AB4 1 2 ? parallel +AB5 1 2 ? anti-parallel +AB6 1 2 ? anti-parallel +AB7 1 2 ? parallel +AB8 1 2 ? anti-parallel +AB9 1 2 ? anti-parallel +AB9 2 3 ? anti-parallel +AB9 3 4 ? anti-parallel +AB9 4 5 ? anti-parallel +AB9 5 6 ? anti-parallel +AC1 1 2 ? anti-parallel +AC1 2 3 ? anti-parallel +AC1 3 4 ? anti-parallel +AC1 4 5 ? anti-parallel +AC2 1 2 ? anti-parallel +AC3 1 2 ? anti-parallel +AC4 1 2 ? anti-parallel +AC5 1 2 ? anti-parallel +AC6 1 2 ? anti-parallel +AC7 1 2 ? anti-parallel +AC7 2 3 ? anti-parallel +AC7 3 4 ? anti-parallel +AC7 4 5 ? anti-parallel +AC7 5 6 ? anti-parallel +AC7 6 7 ? anti-parallel +AC7 7 8 ? anti-parallel +AC7 8 9 ? anti-parallel +AC7 9 10 ? anti-parallel +AC8 1 2 ? anti-parallel +AC8 2 3 ? anti-parallel +AC9 1 2 ? parallel +AD1 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +AA1 1 ALA A 81 ? VAL A 82 ? ALA A 81 VAL A 82 +AA1 2 LEU A 174 ? GLY A 175 ? LEU A 174 GLY A 175 +AA2 1 LEU A 297 ? ASN A 298 ? LEU A 297 ASN A 298 +AA2 2 GLY C 384 ? SER C 385 ? GLY C 402 SER C 403 +AA3 1 MET B 165 ? VAL B 167 ? MET B 166 VAL B 168 +AA3 2 SER B 176 ? GLN B 178 ? SER B 177 GLN B 179 +AA4 1 VAL B 376 ? ASP B 379 ? VAL B 377 ASP B 380 +AA4 2 ILE B 368 ? THR B 370 ? ILE B 369 THR B 371 +AA4 3 GLU B 352 ? VAL B 355 ? GLU B 353 VAL B 356 +AA4 4 ILE B 335 ? ARG B 346 ? ILE B 336 ARG B 347 +AA4 5 THR B 397 ? TYR B 401 ? THR B 398 TYR B 402 +AA4 6 THR B 409 ? PHE B 410 ? THR B 410 PHE B 411 +AA5 1 VAL B 376 ? ASP B 379 ? VAL B 377 ASP B 380 +AA5 2 ILE B 368 ? THR B 370 ? ILE B 369 THR B 371 +AA5 3 GLU B 352 ? VAL B 355 ? GLU B 353 VAL B 356 +AA5 4 ILE B 335 ? ARG B 346 ? ILE B 336 ARG B 347 +AA5 5 ILE B 428 ? ASP B 432 ? ILE B 429 ASP B 433 +AA6 1 LEU C 167 ? ASP C 169 ? LEU C 185 ASP C 187 +AA6 2 ASP C 177 ? ARG C 179 ? ASP C 195 ARG C 197 +AA7 1 LEU C 323 ? ARG C 325 ? LEU C 341 ARG C 343 +AA7 2 ILE C 331 ? PHE C 333 ? ILE C 349 PHE C 351 +AA8 1 ARG C 352 ? GLY C 353 ? ARG C 370 GLY C 371 +AA8 2 GLY C 356 ? LEU C 357 ? GLY C 374 LEU C 375 +AA9 1 ALA D 67 ? VAL D 68 ? ALA D 77 VAL D 78 +AA9 2 PHE D 163 ? GLY D 164 ? PHE D 173 GLY D 174 +AB1 1 TYR M 28 ? PRO M 29 ? TYR O 30 PRO O 31 +AB1 2 SER M 133 ? ILE M 134 ? SER O 135 ILE O 136 +AB2 1 PHE M 63 ? PRO M 65 ? PHE O 65 PRO O 67 +AB2 2 TYR M 36 ? LYS M 51 ? TYR O 38 LYS O 53 +AB2 3 GLU M 230 ? PRO M 243 ? GLU O 232 PRO O 245 +AB2 4 GLU M 208 ? LEU M 218 ? GLU O 210 LEU O 220 +AB2 5 LEU M 190 ? ASP M 203 ? LEU O 192 ASP O 205 +AB2 6 ASP M 139 ? PRO M 147 ? ASP O 141 PRO O 149 +AB2 7 VAL M 124 ? SER M 126 ? VAL O 126 SER O 128 +AB2 8 LEU M 91 ? ILE M 99 ? LEU O 93 ILE O 101 +AB2 9 LEU M 76 ? VAL M 85 ? LEU O 78 VAL O 87 +AB2 10 TYR M 36 ? LYS M 51 ? TYR O 38 LYS O 53 +AB3 1 LYS M 67 ? LEU M 68 ? LYS O 69 LEU O 70 +AB3 2 PHE M 101 ? GLN M 107 ? PHE O 103 GLN O 109 +AB3 3 ARG M 113 ? THR M 119 ? ARG O 115 THR O 121 +AB4 1 ILE O 25 ? ASP O 26 ? ILE U 25 ASP U 26 +AB4 2 PHE O 82 ? THR O 83 ? PHE U 82 THR U 83 +AB5 1 THR P 9 ? PRO P 11 ? THR V 9 PRO V 11 +AB5 2 THR P 18 ? THR P 20 ? THR V 18 THR V 20 +AB6 1 ALA S 81 ? VAL S 82 ? ALA a 81 VAL a 82 +AB6 2 LEU S 174 ? GLY S 175 ? LEU a 174 GLY a 175 +AB7 1 LEU S 297 ? ASN S 298 ? LEU a 297 ASN a 298 +AB7 2 GLY U 384 ? SER U 385 ? GLY c 402 SER c 403 +AB8 1 MET T 165 ? VAL T 167 ? MET b 166 VAL b 168 +AB8 2 SER T 176 ? GLN T 178 ? SER b 177 GLN b 179 +AB9 1 VAL T 376 ? ASP T 379 ? VAL b 377 ASP b 380 +AB9 2 ILE T 368 ? THR T 370 ? ILE b 369 THR b 371 +AB9 3 GLU T 352 ? VAL T 355 ? GLU b 353 VAL b 356 +AB9 4 ILE T 335 ? ARG T 346 ? ILE b 336 ARG b 347 +AB9 5 THR T 397 ? TYR T 401 ? THR b 398 TYR b 402 +AB9 6 THR T 409 ? PHE T 410 ? THR b 410 PHE b 411 +AC1 1 VAL T 376 ? ASP T 379 ? VAL b 377 ASP b 380 +AC1 2 ILE T 368 ? THR T 370 ? ILE b 369 THR b 371 +AC1 3 GLU T 352 ? VAL T 355 ? GLU b 353 VAL b 356 +AC1 4 ILE T 335 ? ARG T 346 ? ILE b 336 ARG b 347 +AC1 5 ILE T 428 ? ASP T 432 ? ILE b 429 ASP b 433 +AC2 1 LEU U 167 ? ASP U 169 ? LEU c 185 ASP c 187 +AC2 2 ASP U 177 ? ARG U 179 ? ASP c 195 ARG c 197 +AC3 1 LEU U 323 ? ARG U 325 ? LEU c 341 ARG c 343 +AC3 2 ILE U 331 ? PHE U 333 ? ILE c 349 PHE c 351 +AC4 1 ARG U 352 ? GLY U 353 ? ARG c 370 GLY c 371 +AC4 2 GLY U 356 ? LEU U 357 ? GLY c 374 LEU c 375 +AC5 1 ALA V 67 ? VAL V 68 ? ALA d 77 VAL d 78 +AC5 2 PHE V 163 ? GLY V 164 ? PHE d 173 GLY d 174 +AC6 1 TYR EA 28 ? PRO EA 29 ? TYR o 30 PRO o 31 +AC6 2 SER EA 133 ? ILE EA 134 ? SER o 135 ILE o 136 +AC7 1 PHE EA 63 ? PRO EA 65 ? PHE o 65 PRO o 67 +AC7 2 TYR EA 36 ? LYS EA 51 ? TYR o 38 LYS o 53 +AC7 3 GLU EA 230 ? PRO EA 243 ? GLU o 232 PRO o 245 +AC7 4 GLU EA 208 ? LEU EA 218 ? GLU o 210 LEU o 220 +AC7 5 LEU EA 190 ? ASP EA 203 ? LEU o 192 ASP o 205 +AC7 6 ASP EA 139 ? PRO EA 147 ? ASP o 141 PRO o 149 +AC7 7 LYS EA 121 ? SER EA 126 ? LYS o 123 SER o 128 +AC7 8 LEU EA 91 ? ILE EA 99 ? LEU o 93 ILE o 101 +AC7 9 LEU EA 76 ? VAL EA 85 ? LEU o 78 VAL o 87 +AC7 10 TYR EA 36 ? LYS EA 51 ? TYR o 38 LYS o 53 +AC8 1 LYS EA 67 ? LEU EA 68 ? LYS o 69 LEU o 70 +AC8 2 PHE EA 101 ? GLN EA 107 ? PHE o 103 GLN o 109 +AC8 3 ARG EA 113 ? THR EA 119 ? ARG o 115 THR o 121 +AC9 1 ILE GA 25 ? ASP GA 26 ? ILE u 25 ASP u 26 +AC9 2 PHE GA 82 ? THR GA 83 ? PHE u 82 THR u 83 +AD1 1 THR HA 9 ? PRO HA 11 ? THR v 9 PRO v 11 +AD1 2 THR HA 18 ? THR HA 20 ? THR v 18 THR v 20 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +AA1 1 2 N VAL A 82 ? N VAL A 82 O LEU A 174 ? O LEU A 174 +AA2 1 2 N ASN A 298 ? N ASN A 298 O GLY C 384 ? O GLY C 402 +AA3 1 2 N VAL B 167 ? N VAL B 168 O SER B 176 ? O SER B 177 +AA4 1 2 O ALA B 378 ? O ALA B 379 N LEU B 369 ? N LEU B 370 +AA4 2 3 O THR B 370 ? O THR B 371 N PHE B 354 ? N PHE B 355 +AA4 3 4 O LEU B 353 ? O LEU B 354 N PHE B 345 ? N PHE B 346 +AA4 4 5 N VAL B 344 ? N VAL B 345 O SER B 399 ? O SER B 400 +AA4 5 6 N VAL B 398 ? N VAL B 399 O PHE B 410 ? O PHE B 411 +AA5 1 2 O ALA B 378 ? O ALA B 379 N LEU B 369 ? N LEU B 370 +AA5 2 3 O THR B 370 ? O THR B 371 N PHE B 354 ? N PHE B 355 +AA5 3 4 O LEU B 353 ? O LEU B 354 N PHE B 345 ? N PHE B 346 +AA5 4 5 N GLN B 337 ? N GLN B 338 O GLU B 430 ? O GLU B 431 +AA6 1 2 N ASP C 169 ? N ASP C 187 O ASP C 177 ? O ASP C 195 +AA7 1 2 N MET C 324 ? N MET C 342 O ILE C 332 ? O ILE C 350 +AA8 1 2 N GLY C 353 ? N GLY C 371 O GLY C 356 ? O GLY C 374 +AA9 1 2 N VAL D 68 ? N VAL D 78 O PHE D 163 ? O PHE D 173 +AB1 1 2 N TYR M 28 ? N TYR O 30 O ILE M 134 ? O ILE O 136 +AB2 1 2 O VAL M 64 ? O VAL O 66 N VAL M 50 ? N VAL O 52 +AB2 2 3 N THR M 46 ? N THR O 48 O GLN M 234 ? O GLN O 236 +AB2 3 4 O VAL M 231 ? O VAL O 233 N GLN M 217 ? N GLN O 219 +AB2 4 5 O ALA M 210 ? O ALA O 212 N ALA M 200 ? N ALA O 202 +AB2 5 6 O LEU M 197 ? O LEU O 199 N PHE M 140 ? N PHE O 142 +AB2 6 7 O LYS M 141 ? O LYS O 143 N SER M 126 ? N SER O 128 +AB2 7 8 O ALA M 125 ? O ALA O 127 N PHE M 93 ? N PHE O 95 +AB2 8 9 O THR M 92 ? O THR O 94 N LYS M 84 ? N LYS O 86 +AB2 9 10 O LEU M 76 ? O LEU O 78 N LEU M 43 ? N LEU O 45 +AB3 1 2 N LYS M 67 ? N LYS O 69 O GLN M 107 ? O GLN O 109 +AB3 2 3 N VAL M 106 ? N VAL O 108 O ILE M 114 ? O ILE O 116 +AB4 1 2 N ILE O 25 ? N ILE U 25 O THR O 83 ? O THR U 83 +AB5 1 2 N VAL P 10 ? N VAL V 10 O ILE P 19 ? O ILE V 19 +AB6 1 2 N VAL S 82 ? N VAL a 82 O LEU S 174 ? O LEU a 174 +AB7 1 2 N ASN S 298 ? N ASN a 298 O GLY U 384 ? O GLY c 402 +AB8 1 2 N VAL T 167 ? N VAL b 168 O SER T 176 ? O SER b 177 +AB9 1 2 O ALA T 378 ? O ALA b 379 N LEU T 369 ? N LEU b 370 +AB9 2 3 O THR T 370 ? O THR b 371 N PHE T 354 ? N PHE b 355 +AB9 3 4 O LEU T 353 ? O LEU b 354 N PHE T 345 ? N PHE b 346 +AB9 4 5 N HIS T 342 ? N HIS b 343 O TYR T 401 ? O TYR b 402 +AB9 5 6 N VAL T 398 ? N VAL b 399 O PHE T 410 ? O PHE b 411 +AC1 1 2 O ALA T 378 ? O ALA b 379 N LEU T 369 ? N LEU b 370 +AC1 2 3 O THR T 370 ? O THR b 371 N PHE T 354 ? N PHE b 355 +AC1 3 4 O LEU T 353 ? O LEU b 354 N PHE T 345 ? N PHE b 346 +AC1 4 5 N GLN T 337 ? N GLN b 338 O GLU T 430 ? O GLU b 431 +AC2 1 2 N ASP U 169 ? N ASP c 187 O ASP U 177 ? O ASP c 195 +AC3 1 2 N MET U 324 ? N MET c 342 O ILE U 332 ? O ILE c 350 +AC4 1 2 N GLY U 353 ? N GLY c 371 O GLY U 356 ? O GLY c 374 +AC5 1 2 N VAL V 68 ? N VAL d 78 O PHE V 163 ? O PHE d 173 +AC6 1 2 N TYR EA 28 ? N TYR o 30 O ILE EA 134 ? O ILE o 136 +AC7 1 2 O VAL EA 64 ? O VAL o 66 N VAL EA 50 ? N VAL o 52 +AC7 2 3 N THR EA 46 ? N THR o 48 O GLN EA 234 ? O GLN o 236 +AC7 3 4 O VAL EA 231 ? O VAL o 233 N GLN EA 217 ? N GLN o 219 +AC7 4 5 O THR EA 212 ? O THR o 214 N ASN EA 198 ? N ASN o 200 +AC7 5 6 O THR EA 191 ? O THR o 193 N VAL EA 146 ? N VAL o 148 +AC7 6 7 O ASN EA 145 ? O ASN o 147 N LYS EA 121 ? N LYS o 123 +AC7 7 8 O ALA EA 125 ? O ALA o 127 N PHE EA 93 ? N PHE o 95 +AC7 8 9 O GLU EA 96 ? O GLU o 98 N GLN EA 80 ? N GLN o 82 +AC7 9 10 O LEU EA 76 ? O LEU o 78 N LEU EA 43 ? N LEU o 45 +AC8 1 2 N LYS EA 67 ? N LYS o 69 O GLN EA 107 ? O GLN o 109 +AC8 2 3 N VAL EA 106 ? N VAL o 108 O ILE EA 114 ? O ILE o 116 +AC9 1 2 N ILE GA 25 ? N ILE u 25 O THR GA 83 ? O THR u 83 +AD1 1 2 N VAL HA 10 ? N VAL v 10 O ILE HA 19 ? O ILE v 19 +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 O2 A GOL 418 ? ? O A HOH 501 ? ? 2.09 +2 1 O2 a GOL 418 ? ? O a HOH 501 ? ? 2.10 +3 1 O z ASP 32 ? ? OG z SER 36 ? ? 2.18 +4 1 O1 O GOL 303 ? ? O O HOH 401 ? ? 2.19 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 VAL A 30 ? ? -93.98 -81.79 +2 1 LEU A 159 ? A -131.20 -51.54 +3 1 LEU A 159 ? B -129.82 -54.76 +4 1 ILE A 259 ? A -103.45 -100.01 +5 1 ILE A 259 ? B -106.41 -98.69 +6 1 ASP B 49 ? ? -150.11 81.88 +7 1 VAL B 51 ? ? -91.06 -60.76 +8 1 ASP B 313 ? ? -91.75 49.16 +9 1 PHE B 383 ? A -90.75 -68.12 +10 1 TRP C 223 ? ? 52.46 -137.50 +11 1 SER C 416 ? ? 170.60 -44.53 +12 1 SER C 463 ? ? -142.41 29.10 +13 1 SER C 463 ? ? -142.41 27.15 +14 1 ARG D 12 ? ? -118.16 66.17 +15 1 SER D 65 ? ? -154.17 21.25 +16 1 PRO D 140 ? A -88.90 41.51 +17 1 PRO D 140 ? B -85.72 38.97 +18 1 ALA D 234 ? A -82.00 49.32 +19 1 SER D 295 ? B -104.24 71.92 +20 1 ALA D 351 ? A 74.69 -48.82 +21 1 ALA D 351 ? B 71.79 -41.27 +22 1 LYS I 33 ? ? -103.41 -106.19 +23 1 ASP I 36 ? ? -54.67 82.21 +24 1 SER J 38 ? ? 69.54 -2.07 +25 1 ALA O 26 ? ? -59.14 73.95 +26 1 LYS O 59 ? ? 54.75 12.99 +27 1 ARG O 73 ? A 71.09 -164.30 +28 1 ARG O 73 ? B 68.78 -166.15 +29 1 THR O 138 ? ? -67.25 8.32 +30 1 LEU O 164 ? ? -91.99 -67.51 +31 1 TYR U 103 ? A -119.09 -134.32 +32 1 TYR U 103 ? B -121.03 -127.14 +33 1 ASN V 49 ? ? -161.67 83.58 +34 1 ASN V 49 ? ? -161.67 83.11 +35 1 ASP V 67 ? ? -83.56 36.42 +36 1 ASN V 78 ? ? -151.65 71.99 +37 1 PHE V 101 ? ? -115.69 79.70 +38 1 ASP X 35 ? ? -109.16 78.73 +39 1 VAL a 30 ? ? -92.81 -80.29 +40 1 ASN a 76 ? ? -107.95 -169.13 +41 1 LEU a 159 ? A -131.51 -52.05 +42 1 LEU a 159 ? B -133.18 -52.85 +43 1 ARG a 225 ? B -59.89 109.73 +44 1 ILE a 259 ? A -99.84 -99.84 +45 1 ILE a 259 ? B -103.74 -106.36 +46 1 VAL b 51 ? ? -92.50 -60.76 +47 1 PHE b 162 ? ? -160.33 76.85 +48 1 ASP b 313 ? ? -93.35 48.25 +49 1 PHE b 383 ? A -84.15 -72.59 +50 1 GLU b 485 ? ? -107.11 49.41 +51 1 GLU b 485 ? ? -106.36 48.49 +52 1 SER b 487 ? ? -51.15 106.41 +53 1 SER b 487 ? ? -51.32 106.41 +54 1 ARG c 26 ? ? -101.61 61.11 +55 1 LEU c 45 ? ? -116.87 76.74 +56 1 GLU c 221 ? ? -125.20 -66.43 +57 1 GLU c 221 ? ? -124.87 -66.43 +58 1 TRP c 223 ? ? 54.69 -133.19 +59 1 THR c 295 ? ? -90.37 -63.32 +60 1 THR c 355 ? A -67.26 2.34 +61 1 THR c 355 ? B -64.98 1.32 +62 1 SER c 416 ? ? 169.24 -48.61 +63 1 VAL d 30 ? ? -104.04 -66.62 +64 1 SER d 65 ? ? -154.52 20.11 +65 1 PRO d 140 ? A -88.16 43.65 +66 1 PRO d 140 ? B -84.82 45.78 +67 1 ASN d 292 ? ? 55.81 19.57 +68 1 PRO d 309 ? ? -69.72 2.36 +69 1 ALA d 351 ? A 70.21 -49.58 +70 1 ALA d 351 ? B 70.47 -52.12 +71 1 LYS h 63 ? ? -69.23 26.76 +72 1 LYS i 33 ? ? -119.05 -110.02 +73 1 LYS i 35 ? ? -98.21 50.26 +74 1 ASP i 36 ? ? -156.27 85.71 +75 1 SER j 38 ? ? 74.73 -3.54 +76 1 LYS o 59 ? ? 64.19 -30.40 +77 1 ARG o 73 ? A 68.56 -160.21 +78 1 ARG o 73 ? B 69.38 -160.49 +79 1 LEU o 164 ? ? -90.71 -73.17 +80 1 ASN u 29 ? ? -142.62 -39.27 +81 1 TYR u 103 ? A -120.17 -140.40 +82 1 TYR u 103 ? B -123.36 -138.52 +83 1 ASN v 49 ? ? -159.05 84.84 +84 1 ASN v 49 ? ? -159.05 84.18 +85 1 ASP v 53 ? ? -115.17 -169.94 +86 1 ASP v 67 ? ? -92.88 39.20 +87 1 ASP x 35 ? ? -91.40 57.15 +88 1 GLN Z 31 ? ? -53.41 94.02 +89 1 ASP Z 32 ? ? 63.66 77.42 +90 1 LEU R 34 ? ? -81.37 32.59 +91 1 PRO z 30 ? ? -68.61 -78.57 +# +loop_ +_pdbx_validate_chiral.id +_pdbx_validate_chiral.PDB_model_num +_pdbx_validate_chiral.auth_atom_id +_pdbx_validate_chiral.label_alt_id +_pdbx_validate_chiral.auth_asym_id +_pdbx_validate_chiral.auth_comp_id +_pdbx_validate_chiral.auth_seq_id +_pdbx_validate_chiral.PDB_ins_code +_pdbx_validate_chiral.details +_pdbx_validate_chiral.omega +1 1 ND A A CLA 404 ? PLANAR . +2 1 ND B A CLA 404 ? PLANAR . +3 1 ND B A CLA 405 ? PLANAR . +4 1 ND ? A CLA 408 ? PLANAR . +5 1 ND ? B CLA 601 ? PLANAR . +6 1 ND ? B CLA 602 ? PLANAR . +7 1 ND ? B CLA 603 ? PLANAR . +8 1 ND ? B CLA 604 ? PLANAR . +9 1 ND ? B CLA 605 ? PLANAR . +10 1 ND ? B CLA 606 ? PLANAR . +11 1 ND ? B CLA 607 ? PLANAR . +12 1 ND ? B CLA 609 ? PLANAR . +13 1 ND ? B CLA 610 ? PLANAR . +14 1 ND ? B CLA 611 ? PLANAR . +15 1 ND ? B CLA 612 ? PLANAR . +16 1 ND ? B CLA 613 ? PLANAR . +17 1 ND ? B CLA 614 ? PLANAR . +18 1 ND ? B CLA 615 ? PLANAR . +19 1 ND ? B CLA 616 ? PLANAR . +20 1 ND ? C CLA 502 ? PLANAR . +21 1 ND ? C CLA 505 ? PLANAR . +22 1 ND ? C CLA 506 ? PLANAR . +23 1 ND ? C CLA 507 ? PLANAR . +24 1 ND ? C CLA 508 ? PLANAR . +25 1 ND ? C CLA 509 ? PLANAR . +26 1 ND ? C CLA 510 ? PLANAR . +27 1 ND ? C CLA 511 ? PLANAR . +28 1 ND ? C CLA 512 ? PLANAR . +29 1 ND ? C CLA 513 ? PLANAR . +30 1 ND ? C CLA 514 ? PLANAR . +31 1 ND A D CLA 402 ? PLANAR . +32 1 ND B D CLA 402 ? PLANAR . +33 1 ND ? D CLA 403 ? PLANAR . +34 1 ND A a CLA 404 ? PLANAR . +35 1 ND B a CLA 404 ? PLANAR . +36 1 ND ? a CLA 407 ? PLANAR . +37 1 ND ? b CLA 601 ? PLANAR . +38 1 ND ? b CLA 602 ? PLANAR . +39 1 ND ? b CLA 603 ? PLANAR . +40 1 ND ? b CLA 604 ? PLANAR . +41 1 ND ? b CLA 605 ? PLANAR . +42 1 ND ? b CLA 606 ? PLANAR . +43 1 ND ? b CLA 607 ? PLANAR . +44 1 ND ? b CLA 609 ? PLANAR . +45 1 ND ? b CLA 610 ? PLANAR . +46 1 ND ? b CLA 611 ? PLANAR . +47 1 ND ? b CLA 612 ? PLANAR . +48 1 ND ? b CLA 613 ? PLANAR . +49 1 ND ? b CLA 614 ? PLANAR . +50 1 ND ? b CLA 615 ? PLANAR . +51 1 ND ? b CLA 616 ? PLANAR . +52 1 ND ? c CLA 501 ? PLANAR . +53 1 ND ? c CLA 502 ? PLANAR . +54 1 ND ? c CLA 503 ? PLANAR . +55 1 ND ? c CLA 504 ? PLANAR . +56 1 ND ? c CLA 505 ? PLANAR . +57 1 ND ? c CLA 506 ? PLANAR . +58 1 ND ? c CLA 507 ? PLANAR . +59 1 ND ? c CLA 508 ? PLANAR . +60 1 ND ? c CLA 509 ? PLANAR . +61 1 ND ? c CLA 510 ? PLANAR . +62 1 ND ? c CLA 511 ? PLANAR . +63 1 ND ? c CLA 512 ? PLANAR . +64 1 ND ? c CLA 513 ? PLANAR . +65 1 ND A d CLA 402 ? PLANAR . +66 1 ND B d CLA 402 ? PLANAR . +67 1 ND A d CLA 403 ? PLANAR . +68 1 ND B d CLA 403 ? PLANAR . +69 1 ND ? d CLA 404 ? PLANAR . +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 H FME 1 I FME 1 ? MET 'modified residue' +2 L FME 1 M FME 1 ? MET 'modified residue' +3 N FME 1 T FME 1 ? MET 'modified residue' +4 Z FME 1 i FME 1 ? MET 'modified residue' +5 DA FME 1 m FME 1 ? MET 'modified residue' +6 FA FME 1 t FME 1 ? MET 'modified residue' +# +_pdbx_refine_tls.id 1 +_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls.details ? +_pdbx_refine_tls.method refined +_pdbx_refine_tls.origin_x 13.9742 +_pdbx_refine_tls.origin_y -14.8317 +_pdbx_refine_tls.origin_z -24.5433 +_pdbx_refine_tls.T[1][1] 0.4711 +_pdbx_refine_tls.T[1][1]_esd ? +_pdbx_refine_tls.T[1][2] -0.0253 +_pdbx_refine_tls.T[1][2]_esd ? +_pdbx_refine_tls.T[1][3] -0.0199 +_pdbx_refine_tls.T[1][3]_esd ? +_pdbx_refine_tls.T[2][2] 0.4043 +_pdbx_refine_tls.T[2][2]_esd ? +_pdbx_refine_tls.T[2][3] 0.0178 +_pdbx_refine_tls.T[2][3]_esd ? +_pdbx_refine_tls.T[3][3] 0.4043 +_pdbx_refine_tls.T[3][3]_esd ? +_pdbx_refine_tls.L[1][1] 0.0759 +_pdbx_refine_tls.L[1][1]_esd ? +_pdbx_refine_tls.L[1][2] -0.0385 +_pdbx_refine_tls.L[1][2]_esd ? +_pdbx_refine_tls.L[1][3] -0.0139 +_pdbx_refine_tls.L[1][3]_esd ? +_pdbx_refine_tls.L[2][2] 0.2134 +_pdbx_refine_tls.L[2][2]_esd ? +_pdbx_refine_tls.L[2][3] 0.0597 +_pdbx_refine_tls.L[2][3]_esd ? +_pdbx_refine_tls.L[3][3] 0.2446 +_pdbx_refine_tls.L[3][3]_esd ? +_pdbx_refine_tls.S[1][1] -0.0047 +_pdbx_refine_tls.S[1][1]_esd ? +_pdbx_refine_tls.S[1][2] -0.0116 +_pdbx_refine_tls.S[1][2]_esd ? +_pdbx_refine_tls.S[1][3] -0.0037 +_pdbx_refine_tls.S[1][3]_esd ? +_pdbx_refine_tls.S[2][1] 0.0136 +_pdbx_refine_tls.S[2][1]_esd ? +_pdbx_refine_tls.S[2][2] 0.0149 +_pdbx_refine_tls.S[2][2]_esd ? +_pdbx_refine_tls.S[2][3] -0.0144 +_pdbx_refine_tls.S[2][3]_esd ? +_pdbx_refine_tls.S[3][1] -0.0254 +_pdbx_refine_tls.S[3][1]_esd ? +_pdbx_refine_tls.S[3][2] 0.0028 +_pdbx_refine_tls.S[3][2]_esd ? +_pdbx_refine_tls.S[3][3] 0.0000 +_pdbx_refine_tls.S[3][3]_esd ? +# +_pdbx_refine_tls_group.id 1 +_pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls_group.refine_tls_id 1 +_pdbx_refine_tls_group.beg_label_asym_id ? +_pdbx_refine_tls_group.beg_label_seq_id ? +_pdbx_refine_tls_group.beg_auth_asym_id ? +_pdbx_refine_tls_group.beg_auth_seq_id ? +_pdbx_refine_tls_group.beg_PDB_ins_code ? +_pdbx_refine_tls_group.end_label_asym_id ? +_pdbx_refine_tls_group.end_label_seq_id ? +_pdbx_refine_tls_group.end_auth_asym_id ? +_pdbx_refine_tls_group.end_auth_seq_id ? +_pdbx_refine_tls_group.end_PDB_ins_code ? +_pdbx_refine_tls_group.selection ? +_pdbx_refine_tls_group.selection_details all +# +_pdbx_entry_details.entry_id 8IRA +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.has_ligand_of_interest Y +_pdbx_entry_details.has_protein_modification ? +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A MET 1 ? A MET 1 +2 1 Y 1 A THR 2 ? A THR 2 +3 1 Y 1 A THR 3 ? A THR 3 +4 1 Y 1 A THR 4 ? A THR 4 +5 1 Y 1 A LEU 5 ? A LEU 5 +6 1 Y 1 A GLN 6 ? A GLN 6 +7 1 Y 1 A ARG 7 ? A ARG 7 +8 1 Y 1 A ARG 8 ? A ARG 8 +9 1 Y 1 A GLU 9 ? A GLU 9 +10 1 Y 1 A SER 10 ? A SER 10 +11 1 Y 1 B LYS 506 ? B LYS 505 +12 1 Y 1 C ASN 19 ? C ASN 1 +13 1 Y 1 C SER 20 ? C SER 2 +14 1 Y 1 C ILE 21 ? C ILE 3 +15 1 Y 1 C PHE 22 ? C PHE 4 +16 1 Y 1 E MET 1 ? E MET 1 +17 1 Y 1 E ALA 2 ? E ALA 2 +18 1 Y 1 E GLY 3 ? E GLY 3 +19 1 Y 1 F THR 2 ? F THR 1 +20 1 Y 1 F SER 3 ? F SER 2 +21 1 Y 1 F ASN 4 ? F ASN 3 +22 1 Y 1 F THR 5 ? F THR 4 +23 1 Y 1 F PRO 6 ? F PRO 5 +24 1 Y 1 F ASN 7 ? F ASN 6 +25 1 Y 1 F GLN 8 ? F GLN 7 +26 1 Y 1 F GLU 9 ? F GLU 8 +27 1 Y 1 F PRO 10 ? F PRO 9 +28 1 Y 1 F VAL 11 ? F VAL 10 +29 1 Y 1 H GLY 66 ? G GLY 65 +30 1 Y 1 J MET 1 ? I MET 1 +31 1 Y 1 L MET 1 ? K MET 1 +32 1 Y 1 M LYS 34 ? L LYS 34 +33 1 Y 1 M SER 35 ? L SER 35 +34 1 Y 1 M SER 36 ? L SER 36 +35 1 Y 1 O GLN 3 ? M GLN 1 +36 1 Y 1 T LYS 31 ? N LYS 31 +37 1 Y 1 T LYS 32 ? N LYS 32 +38 1 Y 1 U ALA 1 ? O ALA 1 +39 1 Y 1 U THR 2 ? O THR 2 +40 1 Y 1 U ALA 3 ? O ALA 3 +41 1 Y 1 U SER 4 ? O SER 4 +42 1 Y 1 U THR 5 ? O THR 5 +43 1 Y 1 U GLU 6 ? O GLU 6 +44 1 Y 1 U GLU 7 ? O GLU 7 +45 1 Y 1 U GLU 8 ? O GLU 8 +46 1 Y 1 X SER 40 ? Q SER 39 +47 1 Y 1 X LEU 41 ? Q LEU 40 +48 1 Y 1 Y GLU 17 ? R GLU 1 +49 1 Y 1 a MET 1 ? S MET 1 +50 1 Y 1 a THR 2 ? S THR 2 +51 1 Y 1 a THR 3 ? S THR 3 +52 1 Y 1 a THR 4 ? S THR 4 +53 1 Y 1 a LEU 5 ? S LEU 5 +54 1 Y 1 a GLN 6 ? S GLN 6 +55 1 Y 1 a ARG 7 ? S ARG 7 +56 1 Y 1 a ARG 8 ? S ARG 8 +57 1 Y 1 a GLU 9 ? S GLU 9 +58 1 Y 1 a SER 10 ? S SER 10 +59 1 Y 1 b LYS 506 ? T LYS 505 +60 1 Y 1 d GLU 11 ? V GLU 1 +61 1 Y 1 e MET 1 ? W MET 1 +62 1 Y 1 e ALA 2 ? W ALA 2 +63 1 Y 1 e GLY 3 ? W GLY 3 +64 1 Y 1 e THR 4 ? W THR 4 +65 1 Y 1 e THR 5 ? W THR 5 +66 1 Y 1 f THR 2 ? X THR 1 +67 1 Y 1 f SER 3 ? X SER 2 +68 1 Y 1 f ASN 4 ? X ASN 3 +69 1 Y 1 f THR 5 ? X THR 4 +70 1 Y 1 f PRO 6 ? X PRO 5 +71 1 Y 1 f ASN 7 ? X ASN 6 +72 1 Y 1 f GLN 8 ? X GLN 7 +73 1 Y 1 f GLU 9 ? X GLU 8 +74 1 Y 1 f PRO 10 ? X PRO 9 +75 1 Y 1 f VAL 11 ? X VAL 10 +76 1 Y 1 f SER 12 ? X SER 11 +77 1 Y 1 f TYR 13 ? X TYR 12 +78 1 Y 1 f PRO 14 ? X PRO 13 +79 1 Y 1 h GLY 66 ? Y GLY 65 +80 1 Y 1 l MET 1 ? CA MET 1 +81 1 Y 1 m SER 35 ? DA SER 35 +82 1 Y 1 m SER 36 ? DA SER 36 +83 1 Y 1 o GLN 3 ? EA GLN 1 +84 1 Y 1 t LYS 31 ? FA LYS 31 +85 1 Y 1 t LYS 32 ? FA LYS 32 +86 1 Y 1 u ALA 1 ? GA ALA 1 +87 1 Y 1 u THR 2 ? GA THR 2 +88 1 Y 1 u ALA 3 ? GA ALA 3 +89 1 Y 1 u SER 4 ? GA SER 4 +90 1 Y 1 u THR 5 ? GA THR 5 +91 1 Y 1 u GLU 6 ? GA GLU 6 +92 1 Y 1 u GLU 7 ? GA GLU 7 +93 1 Y 1 x SER 40 ? IA SER 39 +94 1 Y 1 x LEU 41 ? IA LEU 40 +95 1 Y 1 y GLU 17 ? JA GLU 1 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +BCR C1 C N N 74 +BCR C2 C N N 75 +BCR C3 C N N 76 +BCR C4 C N N 77 +BCR C5 C N N 78 +BCR C6 C N N 79 +BCR C7 C N N 80 +BCR C8 C N N 81 +BCR C9 C N N 82 +BCR C10 C N N 83 +BCR C11 C N N 84 +BCR C33 C N N 85 +BCR C31 C N N 86 +BCR C32 C N N 87 +BCR C34 C N N 88 +BCR C12 C N N 89 +BCR C13 C N N 90 +BCR C14 C N N 91 +BCR C15 C N N 92 +BCR C16 C N N 93 +BCR C17 C N N 94 +BCR C18 C N N 95 +BCR C19 C N N 96 +BCR C20 C N N 97 +BCR C21 C N N 98 +BCR C22 C N N 99 +BCR C23 C N N 100 +BCR C24 C N N 101 +BCR C25 C N N 102 +BCR C26 C N N 103 +BCR C27 C N N 104 +BCR C28 C N N 105 +BCR C29 C N N 106 +BCR C30 C N N 107 +BCR C35 C N N 108 +BCR C36 C N N 109 +BCR C37 C N N 110 +BCR C38 C N N 111 +BCR C39 C N N 112 +BCR C40 C N N 113 +BCR HC21 H N N 114 +BCR HC22 H N N 115 +BCR HC31 H N N 116 +BCR HC32 H N N 117 +BCR HC41 H N N 118 +BCR HC42 H N N 119 +BCR HC7 H N N 120 +BCR HC8 H N N 121 +BCR H10C H N N 122 +BCR H11C H N N 123 +BCR H331 H N N 124 +BCR H332 H N N 125 +BCR H333 H N N 126 +BCR H311 H N N 127 +BCR H312 H N N 128 +BCR H313 H N N 129 +BCR H321 H N N 130 +BCR H322 H N N 131 +BCR H323 H N N 132 +BCR H341 H N N 133 +BCR H342 H N N 134 +BCR H343 H N N 135 +BCR H12C H N N 136 +BCR H14C H N N 137 +BCR H15C H N N 138 +BCR H16C H N N 139 +BCR H17C H N N 140 +BCR H19C H N N 141 +BCR H20C H N N 142 +BCR H21C H N N 143 +BCR H23C H N N 144 +BCR H24C H N N 145 +BCR H271 H N N 146 +BCR H272 H N N 147 +BCR H281 H N N 148 +BCR H282 H N N 149 +BCR H291 H N N 150 +BCR H292 H N N 151 +BCR H351 H N N 152 +BCR H352 H N N 153 +BCR H353 H N N 154 +BCR H361 H N N 155 +BCR H362 H N N 156 +BCR H363 H N N 157 +BCR H371 H N N 158 +BCR H372 H N N 159 +BCR H373 H N N 160 +BCR H381 H N N 161 +BCR H382 H N N 162 +BCR H383 H N N 163 +BCR H391 H N N 164 +BCR H392 H N N 165 +BCR H393 H N N 166 +BCR H401 H N N 167 +BCR H402 H N N 168 +BCR H403 H N N 169 +BCT C C N N 170 +BCT O1 O N N 171 +BCT O2 O N N 172 +BCT O3 O N N 173 +BCT HO3 H N N 174 +CA CA CA N N 175 +CL CL CL N N 176 +CLA MG MG N N 177 +CLA CHA C N N 178 +CLA CHB C N N 179 +CLA CHC C N N 180 +CLA CHD C N N 181 +CLA NA N N N 182 +CLA C1A C N N 183 +CLA C2A C N S 184 +CLA C3A C N S 185 +CLA C4A C N N 186 +CLA CMA C N N 187 +CLA CAA C N N 188 +CLA CBA C N N 189 +CLA CGA C N N 190 +CLA O1A O N N 191 +CLA O2A O N N 192 +CLA NB N Y N 193 +CLA C1B C Y N 194 +CLA C2B C Y N 195 +CLA C3B C Y N 196 +CLA C4B C Y N 197 +CLA CMB C N N 198 +CLA CAB C N N 199 +CLA CBB C N N 200 +CLA NC N N N 201 +CLA C1C C N N 202 +CLA C2C C N N 203 +CLA C3C C N N 204 +CLA C4C C N N 205 +CLA CMC C N N 206 +CLA CAC C N N 207 +CLA CBC C N N 208 +CLA ND N N R 209 +CLA C1D C N N 210 +CLA C2D C N N 211 +CLA C3D C N N 212 +CLA C4D C N N 213 +CLA CMD C N N 214 +CLA CAD C N N 215 +CLA OBD O N N 216 +CLA CBD C N R 217 +CLA CGD C N N 218 +CLA O1D O N N 219 +CLA O2D O N N 220 +CLA CED C N N 221 +CLA C1 C N N 222 +CLA C2 C N N 223 +CLA C3 C N N 224 +CLA C4 C N N 225 +CLA C5 C N N 226 +CLA C6 C N N 227 +CLA C7 C N N 228 +CLA C8 C N R 229 +CLA C9 C N N 230 +CLA C10 C N N 231 +CLA C11 C N N 232 +CLA C12 C N N 233 +CLA C13 C N R 234 +CLA C14 C N N 235 +CLA C15 C N N 236 +CLA C16 C N N 237 +CLA C17 C N N 238 +CLA C18 C N N 239 +CLA C19 C N N 240 +CLA C20 C N N 241 +CLA HHB H N N 242 +CLA HHC H N N 243 +CLA HHD H N N 244 +CLA H2A H N N 245 +CLA H3A H N N 246 +CLA HMA1 H N N 247 +CLA HMA2 H N N 248 +CLA HMA3 H N N 249 +CLA HAA1 H N N 250 +CLA HAA2 H N N 251 +CLA HBA1 H N N 252 +CLA HBA2 H N N 253 +CLA HMB1 H N N 254 +CLA HMB2 H N N 255 +CLA HMB3 H N N 256 +CLA HAB H N N 257 +CLA HBB1 H N N 258 +CLA HBB2 H N N 259 +CLA HMC1 H N N 260 +CLA HMC2 H N N 261 +CLA HMC3 H N N 262 +CLA HAC1 H N N 263 +CLA HAC2 H N N 264 +CLA HBC1 H N N 265 +CLA HBC2 H N N 266 +CLA HBC3 H N N 267 +CLA HMD1 H N N 268 +CLA HMD2 H N N 269 +CLA HMD3 H N N 270 +CLA HBD H N N 271 +CLA HED1 H N N 272 +CLA HED2 H N N 273 +CLA HED3 H N N 274 +CLA H11 H N N 275 +CLA H12 H N N 276 +CLA H2 H N N 277 +CLA H41 H N N 278 +CLA H42 H N N 279 +CLA H43 H N N 280 +CLA H51 H N N 281 +CLA H52 H N N 282 +CLA H61 H N N 283 +CLA H62 H N N 284 +CLA H71 H N N 285 +CLA H72 H N N 286 +CLA H8 H N N 287 +CLA H91 H N N 288 +CLA H92 H N N 289 +CLA H93 H N N 290 +CLA H101 H N N 291 +CLA H102 H N N 292 +CLA H111 H N N 293 +CLA H112 H N N 294 +CLA H121 H N N 295 +CLA H122 H N N 296 +CLA H13 H N N 297 +CLA H141 H N N 298 +CLA H142 H N N 299 +CLA H143 H N N 300 +CLA H151 H N N 301 +CLA H152 H N N 302 +CLA H161 H N N 303 +CLA H162 H N N 304 +CLA H171 H N N 305 +CLA H172 H N N 306 +CLA H18 H N N 307 +CLA H191 H N N 308 +CLA H192 H N N 309 +CLA H193 H N N 310 +CLA H201 H N N 311 +CLA H202 H N N 312 +CLA H203 H N N 313 +CYS N N N N 314 +CYS CA C N R 315 +CYS C C N N 316 +CYS O O N N 317 +CYS CB C N N 318 +CYS SG S N N 319 +CYS OXT O N N 320 +CYS H H N N 321 +CYS H2 H N N 322 +CYS HA H N N 323 +CYS HB2 H N N 324 +CYS HB3 H N N 325 +CYS HG H N N 326 +CYS HXT H N N 327 +DGD C1A C N N 328 +DGD C2A C N N 329 +DGD C3A C N N 330 +DGD C4A C N N 331 +DGD C5A C N N 332 +DGD C6A C N N 333 +DGD C7A C N N 334 +DGD C8A C N N 335 +DGD C9A C N N 336 +DGD CAA C N N 337 +DGD CBA C N N 338 +DGD CCA C N N 339 +DGD CDA C N N 340 +DGD CEA C N N 341 +DGD CFA C N N 342 +DGD CGA C N N 343 +DGD CHA C N N 344 +DGD CIA C N N 345 +DGD O1A O N N 346 +DGD C1B C N N 347 +DGD C2B C N N 348 +DGD C3B C N N 349 +DGD C4B C N N 350 +DGD C5B C N N 351 +DGD C6B C N N 352 +DGD C7B C N N 353 +DGD C8B C N N 354 +DGD C9B C N N 355 +DGD CAB C N N 356 +DGD CBB C N N 357 +DGD CCB C N N 358 +DGD CDB C N N 359 +DGD CEB C N N 360 +DGD CFB C N N 361 +DGD CGB C N N 362 +DGD CHB C N N 363 +DGD CIB C N N 364 +DGD O1B O N N 365 +DGD O1G O N N 366 +DGD C1G C N N 367 +DGD C2G C N S 368 +DGD O2G O N N 369 +DGD C3G C N N 370 +DGD O3G O N N 371 +DGD C1D C N R 372 +DGD C2D C N R 373 +DGD O2D O N N 374 +DGD C3D C N S 375 +DGD O3D O N N 376 +DGD C4D C N R 377 +DGD O4D O N N 378 +DGD C5D C N R 379 +DGD O5D O N N 380 +DGD C6D C N N 381 +DGD O6D O N N 382 +DGD C1E C N S 383 +DGD C2E C N R 384 +DGD O2E O N N 385 +DGD C3E C N S 386 +DGD O3E O N N 387 +DGD C4E C N R 388 +DGD O4E O N N 389 +DGD C5E C N R 390 +DGD O6E O N N 391 +DGD C6E C N N 392 +DGD O5E O N N 393 +DGD HA21 H N N 394 +DGD HA22 H N N 395 +DGD HA31 H N N 396 +DGD HA32 H N N 397 +DGD HA41 H N N 398 +DGD HA42 H N N 399 +DGD HA51 H N N 400 +DGD HA52 H N N 401 +DGD HA61 H N N 402 +DGD HA62 H N N 403 +DGD HA71 H N N 404 +DGD HA72 H N N 405 +DGD HA81 H N N 406 +DGD HA82 H N N 407 +DGD HA91 H N N 408 +DGD HA92 H N N 409 +DGD HAT1 H N N 410 +DGD HAT2 H N N 411 +DGD HAE1 H N N 412 +DGD HAE2 H N N 413 +DGD HAW1 H N N 414 +DGD HAW2 H N N 415 +DGD HAH1 H N N 416 +DGD HAH2 H N N 417 +DGD HAF1 H N N 418 +DGD HAF2 H N N 419 +DGD HAN1 H N N 420 +DGD HAN2 H N N 421 +DGD HAS1 H N N 422 +DGD HAS2 H N N 423 +DGD HAV1 H N N 424 +DGD HAV2 H N N 425 +DGD HAG1 H N N 426 +DGD HAG2 H N N 427 +DGD HAG3 H N N 428 +DGD HB21 H N N 429 +DGD HB22 H N N 430 +DGD HB31 H N N 431 +DGD HB32 H N N 432 +DGD HB41 H N N 433 +DGD HB42 H N N 434 +DGD HB51 H N N 435 +DGD HB52 H N N 436 +DGD HB61 H N N 437 +DGD HB62 H N N 438 +DGD HB71 H N N 439 +DGD HB72 H N N 440 +DGD HB81 H N N 441 +DGD HB82 H N N 442 +DGD HB91 H N N 443 +DGD HB92 H N N 444 +DGD HBT1 H N N 445 +DGD HBT2 H N N 446 +DGD HBE1 H N N 447 +DGD HBE2 H N N 448 +DGD HBW1 H N N 449 +DGD HBW2 H N N 450 +DGD HBH1 H N N 451 +DGD HBH2 H N N 452 +DGD HBF1 H N N 453 +DGD HBF2 H N N 454 +DGD HBN1 H N N 455 +DGD HBN2 H N N 456 +DGD HBS1 H N N 457 +DGD HBS2 H N N 458 +DGD HBV1 H N N 459 +DGD HBV2 H N N 460 +DGD HBG1 H N N 461 +DGD HBG2 H N N 462 +DGD HBG3 H N N 463 +DGD HG11 H N N 464 +DGD HG12 H N N 465 +DGD HG2 H N N 466 +DGD HG31 H N N 467 +DGD HG32 H N N 468 +DGD HD1 H N N 469 +DGD HD2 H N N 470 +DGD HO2D H N N 471 +DGD HD3 H N N 472 +DGD HO3D H N N 473 +DGD HD4 H N N 474 +DGD HO4D H N N 475 +DGD HD5 H N N 476 +DGD HD61 H N N 477 +DGD HD62 H N N 478 +DGD HE1 H N N 479 +DGD HE2 H N N 480 +DGD HO2E H N N 481 +DGD HE3 H N N 482 +DGD HO3E H N N 483 +DGD HE4 H N N 484 +DGD HO4E H N N 485 +DGD HE5 H N N 486 +DGD HE61 H N N 487 +DGD HE62 H N N 488 +DGD HO5E H N N 489 +FE2 FE FE N N 490 +FME N N N N 491 +FME CN C N N 492 +FME O1 O N N 493 +FME CA C N S 494 +FME CB C N N 495 +FME CG C N N 496 +FME SD S N N 497 +FME CE C N N 498 +FME C C N N 499 +FME O O N N 500 +FME OXT O N N 501 +FME H H N N 502 +FME HCN H N N 503 +FME HA H N N 504 +FME HB2 H N N 505 +FME HB3 H N N 506 +FME HG2 H N N 507 +FME HG3 H N N 508 +FME HE1 H N N 509 +FME HE2 H N N 510 +FME HE3 H N N 511 +FME HXT H N N 512 +GLN N N N N 513 +GLN CA C N S 514 +GLN C C N N 515 +GLN O O N N 516 +GLN CB C N N 517 +GLN CG C N N 518 +GLN CD C N N 519 +GLN OE1 O N N 520 +GLN NE2 N N N 521 +GLN OXT O N N 522 +GLN H H N N 523 +GLN H2 H N N 524 +GLN HA H N N 525 +GLN HB2 H N N 526 +GLN HB3 H N N 527 +GLN HG2 H N N 528 +GLN HG3 H N N 529 +GLN HE21 H N N 530 +GLN HE22 H N N 531 +GLN HXT H N N 532 +GLU N N N N 533 +GLU CA C N S 534 +GLU C C N N 535 +GLU O O N N 536 +GLU CB C N N 537 +GLU CG C N N 538 +GLU CD C N N 539 +GLU OE1 O N N 540 +GLU OE2 O N N 541 +GLU OXT O N N 542 +GLU H H N N 543 +GLU H2 H N N 544 +GLU HA H N N 545 +GLU HB2 H N N 546 +GLU HB3 H N N 547 +GLU HG2 H N N 548 +GLU HG3 H N N 549 +GLU HE2 H N N 550 +GLU HXT H N N 551 +GLY N N N N 552 +GLY CA C N N 553 +GLY C C N N 554 +GLY O O N N 555 +GLY OXT O N N 556 +GLY H H N N 557 +GLY H2 H N N 558 +GLY HA2 H N N 559 +GLY HA3 H N N 560 +GLY HXT H N N 561 +GOL C1 C N N 562 +GOL O1 O N N 563 +GOL C2 C N N 564 +GOL O2 O N N 565 +GOL C3 C N N 566 +GOL O3 O N N 567 +GOL H11 H N N 568 +GOL H12 H N N 569 +GOL HO1 H N N 570 +GOL H2 H N N 571 +GOL HO2 H N N 572 +GOL H31 H N N 573 +GOL H32 H N N 574 +GOL HO3 H N N 575 +HEC FE FE N N 576 +HEC CHA C N N 577 +HEC CHB C N N 578 +HEC CHC C N N 579 +HEC CHD C N N 580 +HEC NA N Y N 581 +HEC C1A C Y N 582 +HEC C2A C Y N 583 +HEC C3A C Y N 584 +HEC C4A C Y N 585 +HEC CMA C N N 586 +HEC CAA C N N 587 +HEC CBA C N N 588 +HEC CGA C N N 589 +HEC O1A O N N 590 +HEC O2A O N N 591 +HEC NB N Y N 592 +HEC C1B C Y N 593 +HEC C2B C Y N 594 +HEC C3B C Y N 595 +HEC C4B C Y N 596 +HEC CMB C N N 597 +HEC CAB C N N 598 +HEC CBB C N N 599 +HEC NC N Y N 600 +HEC C1C C Y N 601 +HEC C2C C Y N 602 +HEC C3C C Y N 603 +HEC C4C C Y N 604 +HEC CMC C N N 605 +HEC CAC C N N 606 +HEC CBC C N N 607 +HEC ND N Y N 608 +HEC C1D C Y N 609 +HEC C2D C Y N 610 +HEC C3D C Y N 611 +HEC C4D C Y N 612 +HEC CMD C N N 613 +HEC CAD C N N 614 +HEC CBD C N N 615 +HEC CGD C N N 616 +HEC O1D O N N 617 +HEC O2D O N N 618 +HEC HHA H N N 619 +HEC HHB H N N 620 +HEC HHC H N N 621 +HEC HHD H N N 622 +HEC HMA1 H N N 623 +HEC HMA2 H N N 624 +HEC HMA3 H N N 625 +HEC HAA1 H N N 626 +HEC HAA2 H N N 627 +HEC HBA1 H N N 628 +HEC HBA2 H N N 629 +HEC H2A H N N 630 +HEC HMB1 H N N 631 +HEC HMB2 H N N 632 +HEC HMB3 H N N 633 +HEC HAB H N N 634 +HEC HBB1 H N N 635 +HEC HBB2 H N N 636 +HEC HBB3 H N N 637 +HEC HMC1 H N N 638 +HEC HMC2 H N N 639 +HEC HMC3 H N N 640 +HEC HAC H N N 641 +HEC HBC1 H N N 642 +HEC HBC2 H N N 643 +HEC HBC3 H N N 644 +HEC HMD1 H N N 645 +HEC HMD2 H N N 646 +HEC HMD3 H N N 647 +HEC HAD1 H N N 648 +HEC HAD2 H N N 649 +HEC HBD1 H N N 650 +HEC HBD2 H N N 651 +HEC H2D H N N 652 +HEM CHA C N N 653 +HEM CHB C N N 654 +HEM CHC C N N 655 +HEM CHD C N N 656 +HEM C1A C Y N 657 +HEM C2A C Y N 658 +HEM C3A C Y N 659 +HEM C4A C Y N 660 +HEM CMA C N N 661 +HEM CAA C N N 662 +HEM CBA C N N 663 +HEM CGA C N N 664 +HEM O1A O N N 665 +HEM O2A O N N 666 +HEM C1B C N N 667 +HEM C2B C N N 668 +HEM C3B C N N 669 +HEM C4B C N N 670 +HEM CMB C N N 671 +HEM CAB C N N 672 +HEM CBB C N N 673 +HEM C1C C Y N 674 +HEM C2C C Y N 675 +HEM C3C C Y N 676 +HEM C4C C Y N 677 +HEM CMC C N N 678 +HEM CAC C N N 679 +HEM CBC C N N 680 +HEM C1D C N N 681 +HEM C2D C N N 682 +HEM C3D C N N 683 +HEM C4D C N N 684 +HEM CMD C N N 685 +HEM CAD C N N 686 +HEM CBD C N N 687 +HEM CGD C N N 688 +HEM O1D O N N 689 +HEM O2D O N N 690 +HEM NA N Y N 691 +HEM NB N N N 692 +HEM NC N Y N 693 +HEM ND N N N 694 +HEM FE FE N N 695 +HEM HHB H N N 696 +HEM HHC H N N 697 +HEM HHD H N N 698 +HEM HMA H N N 699 +HEM HMAA H N N 700 +HEM HMAB H N N 701 +HEM HAA H N N 702 +HEM HAAA H N N 703 +HEM HBA H N N 704 +HEM HBAA H N N 705 +HEM HMB H N N 706 +HEM HMBA H N N 707 +HEM HMBB H N N 708 +HEM HAB H N N 709 +HEM HBB H N N 710 +HEM HBBA H N N 711 +HEM HMC H N N 712 +HEM HMCA H N N 713 +HEM HMCB H N N 714 +HEM HAC H N N 715 +HEM HBC H N N 716 +HEM HBCA H N N 717 +HEM HMD H N N 718 +HEM HMDA H N N 719 +HEM HMDB H N N 720 +HEM HAD H N N 721 +HEM HADA H N N 722 +HEM HBD H N N 723 +HEM HBDA H N N 724 +HEM H2A H N N 725 +HEM H2D H N N 726 +HEM HHA H N N 727 +HIS N N N N 728 +HIS CA C N S 729 +HIS C C N N 730 +HIS O O N N 731 +HIS CB C N N 732 +HIS CG C Y N 733 +HIS ND1 N Y N 734 +HIS CD2 C Y N 735 +HIS CE1 C Y N 736 +HIS NE2 N Y N 737 +HIS OXT O N N 738 +HIS H H N N 739 +HIS H2 H N N 740 +HIS HA H N N 741 +HIS HB2 H N N 742 +HIS HB3 H N N 743 +HIS HD1 H N N 744 +HIS HD2 H N N 745 +HIS HE1 H N N 746 +HIS HE2 H N N 747 +HIS HXT H N N 748 +HOH O O N N 749 +HOH H1 H N N 750 +HOH H2 H N N 751 +HTG C1 C N S 752 +HTG S1 S N N 753 +HTG C2 C N R 754 +HTG O2 O N N 755 +HTG C3 C N S 756 +HTG O3 O N N 757 +HTG C4 C N S 758 +HTG O4 O N N 759 +HTG C5 C N R 760 +HTG O5 O N N 761 +HTG C6 C N N 762 +HTG O6 O N N 763 +HTG "C1'" C N N 764 +HTG "C2'" C N N 765 +HTG "C3'" C N N 766 +HTG "C4'" C N N 767 +HTG "C5'" C N N 768 +HTG "C6'" C N N 769 +HTG "C7'" C N N 770 +HTG H1 H N N 771 +HTG H2 H N N 772 +HTG HO2 H N N 773 +HTG H3 H N N 774 +HTG HO3 H N N 775 +HTG H4 H N N 776 +HTG HO4 H N N 777 +HTG H5 H N N 778 +HTG H61 H N N 779 +HTG H62 H N N 780 +HTG HO6 H N N 781 +HTG "H1'1" H N N 782 +HTG "H1'2" H N N 783 +HTG "H2'1" H N N 784 +HTG "H2'2" H N N 785 +HTG "H3'1" H N N 786 +HTG "H3'2" H N N 787 +HTG "H4'1" H N N 788 +HTG "H4'2" H N N 789 +HTG "H5'1" H N N 790 +HTG "H5'2" H N N 791 +HTG "H6'1" H N N 792 +HTG "H6'2" H N N 793 +HTG "H7'1" H N N 794 +HTG "H7'2" H N N 795 +HTG "H7'3" H N N 796 +ILE N N N N 797 +ILE CA C N S 798 +ILE C C N N 799 +ILE O O N N 800 +ILE CB C N S 801 +ILE CG1 C N N 802 +ILE CG2 C N N 803 +ILE CD1 C N N 804 +ILE OXT O N N 805 +ILE H H N N 806 +ILE H2 H N N 807 +ILE HA H N N 808 +ILE HB H N N 809 +ILE HG12 H N N 810 +ILE HG13 H N N 811 +ILE HG21 H N N 812 +ILE HG22 H N N 813 +ILE HG23 H N N 814 +ILE HD11 H N N 815 +ILE HD12 H N N 816 +ILE HD13 H N N 817 +ILE HXT H N N 818 +LEU N N N N 819 +LEU CA C N S 820 +LEU C C N N 821 +LEU O O N N 822 +LEU CB C N N 823 +LEU CG C N N 824 +LEU CD1 C N N 825 +LEU CD2 C N N 826 +LEU OXT O N N 827 +LEU H H N N 828 +LEU H2 H N N 829 +LEU HA H N N 830 +LEU HB2 H N N 831 +LEU HB3 H N N 832 +LEU HG H N N 833 +LEU HD11 H N N 834 +LEU HD12 H N N 835 +LEU HD13 H N N 836 +LEU HD21 H N N 837 +LEU HD22 H N N 838 +LEU HD23 H N N 839 +LEU HXT H N N 840 +LHG O1 O N N 841 +LHG C1 C N N 842 +LHG C2 C N S 843 +LHG O2 O N N 844 +LHG C3 C N N 845 +LHG O3 O N N 846 +LHG P P N S 847 +LHG O4 O N N 848 +LHG O5 O N N 849 +LHG O6 O N N 850 +LHG C4 C N N 851 +LHG C5 C N R 852 +LHG C6 C N N 853 +LHG O7 O N N 854 +LHG C7 C N N 855 +LHG O9 O N N 856 +LHG C8 C N N 857 +LHG C9 C N N 858 +LHG C10 C N N 859 +LHG O8 O N N 860 +LHG C23 C N N 861 +LHG O10 O N N 862 +LHG C24 C N N 863 +LHG C11 C N N 864 +LHG C12 C N N 865 +LHG C13 C N N 866 +LHG C14 C N N 867 +LHG C15 C N N 868 +LHG C16 C N N 869 +LHG C17 C N N 870 +LHG C18 C N N 871 +LHG C19 C N N 872 +LHG C20 C N N 873 +LHG C21 C N N 874 +LHG C22 C N N 875 +LHG C25 C N N 876 +LHG C26 C N N 877 +LHG C27 C N N 878 +LHG C28 C N N 879 +LHG C29 C N N 880 +LHG C30 C N N 881 +LHG C31 C N N 882 +LHG C32 C N N 883 +LHG C33 C N N 884 +LHG C34 C N N 885 +LHG C35 C N N 886 +LHG C36 C N N 887 +LHG C37 C N N 888 +LHG C38 C N N 889 +LHG HO1 H N N 890 +LHG HC11 H N N 891 +LHG HC12 H N N 892 +LHG HC2 H N N 893 +LHG H02 H N N 894 +LHG HC31 H N N 895 +LHG HC32 H N N 896 +LHG HO4 H N N 897 +LHG HC41 H N N 898 +LHG HC42 H N N 899 +LHG HC5 H N N 900 +LHG HC61 H N N 901 +LHG HC62 H N N 902 +LHG HC81 H N N 903 +LHG HC82 H N N 904 +LHG HC91 H N N 905 +LHG HC92 H N N 906 +LHG H101 H N N 907 +LHG H102 H N N 908 +LHG H241 H N N 909 +LHG H242 H N N 910 +LHG H111 H N N 911 +LHG H112 H N N 912 +LHG H121 H N N 913 +LHG H122 H N N 914 +LHG H131 H N N 915 +LHG H132 H N N 916 +LHG H141 H N N 917 +LHG H142 H N N 918 +LHG H151 H N N 919 +LHG H152 H N N 920 +LHG H161 H N N 921 +LHG H162 H N N 922 +LHG H171 H N N 923 +LHG H172 H N N 924 +LHG H181 H N N 925 +LHG H182 H N N 926 +LHG H191 H N N 927 +LHG H192 H N N 928 +LHG H201 H N N 929 +LHG H202 H N N 930 +LHG H211 H N N 931 +LHG H212 H N N 932 +LHG H221 H N N 933 +LHG H222 H N N 934 +LHG H223 H N N 935 +LHG H251 H N N 936 +LHG H252 H N N 937 +LHG H261 H N N 938 +LHG H262 H N N 939 +LHG H271 H N N 940 +LHG H272 H N N 941 +LHG H281 H N N 942 +LHG H282 H N N 943 +LHG H291 H N N 944 +LHG H292 H N N 945 +LHG H301 H N N 946 +LHG H302 H N N 947 +LHG H311 H N N 948 +LHG H312 H N N 949 +LHG H321 H N N 950 +LHG H322 H N N 951 +LHG H331 H N N 952 +LHG H332 H N N 953 +LHG H341 H N N 954 +LHG H342 H N N 955 +LHG H351 H N N 956 +LHG H352 H N N 957 +LHG H361 H N N 958 +LHG H362 H N N 959 +LHG H371 H N N 960 +LHG H372 H N N 961 +LHG H381 H N N 962 +LHG H382 H N N 963 +LHG H383 H N N 964 +LMG C1 C N R 965 +LMG O1 O N N 966 +LMG C2 C N R 967 +LMG O2 O N N 968 +LMG C3 C N S 969 +LMG O3 O N N 970 +LMG C4 C N R 971 +LMG O4 O N N 972 +LMG C5 C N R 973 +LMG O5 O N N 974 +LMG C6 C N N 975 +LMG O6 O N N 976 +LMG C7 C N N 977 +LMG C8 C N S 978 +LMG C9 C N N 979 +LMG O7 O N N 980 +LMG C10 C N N 981 +LMG O9 O N N 982 +LMG C11 C N N 983 +LMG C12 C N N 984 +LMG C13 C N N 985 +LMG C14 C N N 986 +LMG C15 C N N 987 +LMG C16 C N N 988 +LMG C17 C N N 989 +LMG C18 C N N 990 +LMG C19 C N N 991 +LMG C20 C N N 992 +LMG C21 C N N 993 +LMG C22 C N N 994 +LMG C23 C N N 995 +LMG C24 C N N 996 +LMG C25 C N N 997 +LMG C26 C N N 998 +LMG C27 C N N 999 +LMG O8 O N N 1000 +LMG C28 C N N 1001 +LMG O10 O N N 1002 +LMG C29 C N N 1003 +LMG C30 C N N 1004 +LMG C31 C N N 1005 +LMG C32 C N N 1006 +LMG C33 C N N 1007 +LMG C34 C N N 1008 +LMG C35 C N N 1009 +LMG C36 C N N 1010 +LMG C37 C N N 1011 +LMG C38 C N N 1012 +LMG C39 C N N 1013 +LMG C40 C N N 1014 +LMG C41 C N N 1015 +LMG C42 C N N 1016 +LMG C43 C N N 1017 +LMG C44 C N N 1018 +LMG C45 C N N 1019 +LMG HC1 H N N 1020 +LMG HC2 H N N 1021 +LMG HO2 H N N 1022 +LMG HC3 H N N 1023 +LMG HO3 H N N 1024 +LMG HC4 H N N 1025 +LMG HO4 H N N 1026 +LMG HC5 H N N 1027 +LMG HO5 H N N 1028 +LMG HC61 H N N 1029 +LMG HC62 H N N 1030 +LMG HC71 H N N 1031 +LMG HC72 H N N 1032 +LMG HC8 H N N 1033 +LMG HC91 H N N 1034 +LMG HC92 H N N 1035 +LMG H111 H N N 1036 +LMG H112 H N N 1037 +LMG H121 H N N 1038 +LMG H122 H N N 1039 +LMG H131 H N N 1040 +LMG H132 H N N 1041 +LMG H141 H N N 1042 +LMG H142 H N N 1043 +LMG H151 H N N 1044 +LMG H152 H N N 1045 +LMG H161 H N N 1046 +LMG H162 H N N 1047 +LMG H171 H N N 1048 +LMG H172 H N N 1049 +LMG H181 H N N 1050 +LMG H182 H N N 1051 +LMG H191 H N N 1052 +LMG H192 H N N 1053 +LMG H201 H N N 1054 +LMG H202 H N N 1055 +LMG H211 H N N 1056 +LMG H212 H N N 1057 +LMG H221 H N N 1058 +LMG H222 H N N 1059 +LMG H231 H N N 1060 +LMG H232 H N N 1061 +LMG H241 H N N 1062 +LMG H242 H N N 1063 +LMG H251 H N N 1064 +LMG H252 H N N 1065 +LMG H261 H N N 1066 +LMG H262 H N N 1067 +LMG H271 H N N 1068 +LMG H272 H N N 1069 +LMG H273 H N N 1070 +LMG H291 H N N 1071 +LMG H292 H N N 1072 +LMG H301 H N N 1073 +LMG H302 H N N 1074 +LMG H311 H N N 1075 +LMG H312 H N N 1076 +LMG H321 H N N 1077 +LMG H322 H N N 1078 +LMG H331 H N N 1079 +LMG H332 H N N 1080 +LMG H341 H N N 1081 +LMG H342 H N N 1082 +LMG H351 H N N 1083 +LMG H352 H N N 1084 +LMG H361 H N N 1085 +LMG H362 H N N 1086 +LMG H371 H N N 1087 +LMG H372 H N N 1088 +LMG H381 H N N 1089 +LMG H382 H N N 1090 +LMG H391 H N N 1091 +LMG H392 H N N 1092 +LMG H401 H N N 1093 +LMG H402 H N N 1094 +LMG H411 H N N 1095 +LMG H412 H N N 1096 +LMG H421 H N N 1097 +LMG H422 H N N 1098 +LMG H431 H N N 1099 +LMG H432 H N N 1100 +LMG H441 H N N 1101 +LMG H442 H N N 1102 +LMG H451 H N N 1103 +LMG H452 H N N 1104 +LMG H453 H N N 1105 +LMT C1B C N R 1106 +LMT C2B C N R 1107 +LMT C3B C N S 1108 +LMT C4B C N S 1109 +LMT C5B C N R 1110 +LMT C6B C N N 1111 +LMT O1B O N N 1112 +LMT O2B O N N 1113 +LMT O3B O N N 1114 +LMT "O4'" O N N 1115 +LMT O5B O N N 1116 +LMT O6B O N N 1117 +LMT "C1'" C N R 1118 +LMT "C2'" C N R 1119 +LMT "C3'" C N R 1120 +LMT "C4'" C N S 1121 +LMT "C5'" C N R 1122 +LMT "C6'" C N N 1123 +LMT "O1'" O N N 1124 +LMT "O2'" O N N 1125 +LMT "O3'" O N N 1126 +LMT "O5'" O N N 1127 +LMT "O6'" O N N 1128 +LMT C1 C N N 1129 +LMT C2 C N N 1130 +LMT C3 C N N 1131 +LMT C4 C N N 1132 +LMT C5 C N N 1133 +LMT C6 C N N 1134 +LMT C7 C N N 1135 +LMT C8 C N N 1136 +LMT C9 C N N 1137 +LMT C10 C N N 1138 +LMT C11 C N N 1139 +LMT C12 C N N 1140 +LMT H1B H N N 1141 +LMT H2B H N N 1142 +LMT H3B H N N 1143 +LMT H4B H N N 1144 +LMT H5B H N N 1145 +LMT "H6'2" H N N 1146 +LMT "H6'1" H N N 1147 +LMT H2O1 H N N 1148 +LMT H3O1 H N N 1149 +LMT H4O1 H N N 1150 +LMT H6B H N N 1151 +LMT "H1'" H N N 1152 +LMT "H2'" H N N 1153 +LMT "H3'" H N N 1154 +LMT "H4'" H N N 1155 +LMT "H5'" H N N 1156 +LMT H6D H N N 1157 +LMT H6E H N N 1158 +LMT H2O2 H N N 1159 +LMT H3O2 H N N 1160 +LMT "H6'" H N N 1161 +LMT H12 H N N 1162 +LMT H11 H N N 1163 +LMT H22 H N N 1164 +LMT H21 H N N 1165 +LMT H32 H N N 1166 +LMT H31 H N N 1167 +LMT H42 H N N 1168 +LMT H41 H N N 1169 +LMT H52 H N N 1170 +LMT H51 H N N 1171 +LMT H62 H N N 1172 +LMT H61 H N N 1173 +LMT H72 H N N 1174 +LMT H71 H N N 1175 +LMT H82 H N N 1176 +LMT H81 H N N 1177 +LMT H92 H N N 1178 +LMT H91 H N N 1179 +LMT H102 H N N 1180 +LMT H101 H N N 1181 +LMT H112 H N N 1182 +LMT H111 H N N 1183 +LMT H123 H N N 1184 +LMT H122 H N N 1185 +LMT H121 H N N 1186 +LYS N N N N 1187 +LYS CA C N S 1188 +LYS C C N N 1189 +LYS O O N N 1190 +LYS CB C N N 1191 +LYS CG C N N 1192 +LYS CD C N N 1193 +LYS CE C N N 1194 +LYS NZ N N N 1195 +LYS OXT O N N 1196 +LYS H H N N 1197 +LYS H2 H N N 1198 +LYS HA H N N 1199 +LYS HB2 H N N 1200 +LYS HB3 H N N 1201 +LYS HG2 H N N 1202 +LYS HG3 H N N 1203 +LYS HD2 H N N 1204 +LYS HD3 H N N 1205 +LYS HE2 H N N 1206 +LYS HE3 H N N 1207 +LYS HZ1 H N N 1208 +LYS HZ2 H N N 1209 +LYS HZ3 H N N 1210 +LYS HXT H N N 1211 +MET N N N N 1212 +MET CA C N S 1213 +MET C C N N 1214 +MET O O N N 1215 +MET CB C N N 1216 +MET CG C N N 1217 +MET SD S N N 1218 +MET CE C N N 1219 +MET OXT O N N 1220 +MET H H N N 1221 +MET H2 H N N 1222 +MET HA H N N 1223 +MET HB2 H N N 1224 +MET HB3 H N N 1225 +MET HG2 H N N 1226 +MET HG3 H N N 1227 +MET HE1 H N N 1228 +MET HE2 H N N 1229 +MET HE3 H N N 1230 +MET HXT H N N 1231 +MG MG MG N N 1232 +OEX O1 O N N 1233 +OEX CA1 CA N N 1234 +OEX MN1 MN N N 1235 +OEX O2 O N N 1236 +OEX MN2 MN N N 1237 +OEX O3 O N N 1238 +OEX MN3 MN N R 1239 +OEX O4 O N N 1240 +OEX MN4 MN N N 1241 +OEX O5 O N N 1242 +PHE N N N N 1243 +PHE CA C N S 1244 +PHE C C N N 1245 +PHE O O N N 1246 +PHE CB C N N 1247 +PHE CG C Y N 1248 +PHE CD1 C Y N 1249 +PHE CD2 C Y N 1250 +PHE CE1 C Y N 1251 +PHE CE2 C Y N 1252 +PHE CZ C Y N 1253 +PHE OXT O N N 1254 +PHE H H N N 1255 +PHE H2 H N N 1256 +PHE HA H N N 1257 +PHE HB2 H N N 1258 +PHE HB3 H N N 1259 +PHE HD1 H N N 1260 +PHE HD2 H N N 1261 +PHE HE1 H N N 1262 +PHE HE2 H N N 1263 +PHE HZ H N N 1264 +PHE HXT H N N 1265 +PHO CHA C Y N 1266 +PHO CHB C Y N 1267 +PHO CHC C Y N 1268 +PHO CHD C Y N 1269 +PHO NA N Y N 1270 +PHO C1A C Y N 1271 +PHO C2A C N S 1272 +PHO C3A C N S 1273 +PHO C4A C Y N 1274 +PHO CMA C N N 1275 +PHO CAA C N N 1276 +PHO CBA C N N 1277 +PHO CGA C N N 1278 +PHO O1A O N N 1279 +PHO O2A O N N 1280 +PHO NB N Y N 1281 +PHO C1B C Y N 1282 +PHO C2B C Y N 1283 +PHO C3B C Y N 1284 +PHO C4B C Y N 1285 +PHO CMB C N N 1286 +PHO CAB C N N 1287 +PHO CBB C N N 1288 +PHO NC N Y N 1289 +PHO C1C C Y N 1290 +PHO C2C C Y N 1291 +PHO C3C C Y N 1292 +PHO C4C C Y N 1293 +PHO CMC C N N 1294 +PHO CAC C N N 1295 +PHO CBC C N N 1296 +PHO ND N Y N 1297 +PHO C1D C Y N 1298 +PHO C2D C Y N 1299 +PHO C3D C Y N 1300 +PHO C4D C Y N 1301 +PHO CMD C N N 1302 +PHO CAD C N N 1303 +PHO OBD O N N 1304 +PHO CBD C N R 1305 +PHO CGD C N N 1306 +PHO O1D O N N 1307 +PHO O2D O N N 1308 +PHO CED C N N 1309 +PHO C1 C N N 1310 +PHO C2 C N N 1311 +PHO C3 C N N 1312 +PHO C4 C N N 1313 +PHO C5 C N N 1314 +PHO C6 C N N 1315 +PHO C7 C N N 1316 +PHO C8 C N R 1317 +PHO C9 C N N 1318 +PHO C10 C N N 1319 +PHO C11 C N N 1320 +PHO C12 C N N 1321 +PHO C13 C N R 1322 +PHO C14 C N N 1323 +PHO C15 C N N 1324 +PHO C16 C N N 1325 +PHO C17 C N N 1326 +PHO C18 C N N 1327 +PHO C19 C N N 1328 +PHO C20 C N N 1329 +PHO HHB H N N 1330 +PHO HHC H N N 1331 +PHO HHD H N N 1332 +PHO H2A H N N 1333 +PHO H3A H N N 1334 +PHO HMA1 H N N 1335 +PHO HMA2 H N N 1336 +PHO HMA3 H N N 1337 +PHO HAA1 H N N 1338 +PHO HAA2 H N N 1339 +PHO HBA1 H N N 1340 +PHO HBA2 H N N 1341 +PHO HMB1 H N N 1342 +PHO HMB2 H N N 1343 +PHO HMB3 H N N 1344 +PHO HAB H N N 1345 +PHO HBB1 H N N 1346 +PHO HBB2 H N N 1347 +PHO HMC1 H N N 1348 +PHO HMC2 H N N 1349 +PHO HMC3 H N N 1350 +PHO HAC1 H N N 1351 +PHO HAC2 H N N 1352 +PHO HBC1 H N N 1353 +PHO HBC2 H N N 1354 +PHO HBC3 H N N 1355 +PHO HMD1 H N N 1356 +PHO HMD2 H N N 1357 +PHO HMD3 H N N 1358 +PHO HBD H N N 1359 +PHO HED1 H N N 1360 +PHO HED2 H N N 1361 +PHO HED3 H N N 1362 +PHO H11 H N N 1363 +PHO H12 H N N 1364 +PHO H2 H N N 1365 +PHO H41 H N N 1366 +PHO H42 H N N 1367 +PHO H43 H N N 1368 +PHO H51 H N N 1369 +PHO H52 H N N 1370 +PHO H61 H N N 1371 +PHO H62 H N N 1372 +PHO H71 H N N 1373 +PHO H72 H N N 1374 +PHO H8 H N N 1375 +PHO H91 H N N 1376 +PHO H92 H N N 1377 +PHO H93 H N N 1378 +PHO H101 H N N 1379 +PHO H102 H N N 1380 +PHO H111 H N N 1381 +PHO H112 H N N 1382 +PHO H121 H N N 1383 +PHO H122 H N N 1384 +PHO H13 H N N 1385 +PHO H141 H N N 1386 +PHO H142 H N N 1387 +PHO H143 H N N 1388 +PHO H151 H N N 1389 +PHO H152 H N N 1390 +PHO H161 H N N 1391 +PHO H162 H N N 1392 +PHO H171 H N N 1393 +PHO H172 H N N 1394 +PHO H18 H N N 1395 +PHO H191 H N N 1396 +PHO H192 H N N 1397 +PHO H193 H N N 1398 +PHO H201 H N N 1399 +PHO H202 H N N 1400 +PHO H203 H N N 1401 +PHO HNB H N N 1402 +PHO HND H N N 1403 +PL9 C2 C N N 1404 +PL9 C3 C N N 1405 +PL9 C4 C N N 1406 +PL9 C5 C N N 1407 +PL9 C6 C N N 1408 +PL9 C1 C N N 1409 +PL9 C7 C N N 1410 +PL9 C8 C N N 1411 +PL9 C9 C N N 1412 +PL9 C10 C N N 1413 +PL9 C11 C N N 1414 +PL9 C12 C N N 1415 +PL9 C13 C N N 1416 +PL9 C14 C N N 1417 +PL9 C15 C N N 1418 +PL9 C16 C N N 1419 +PL9 C17 C N N 1420 +PL9 C18 C N N 1421 +PL9 C19 C N N 1422 +PL9 C20 C N N 1423 +PL9 C21 C N N 1424 +PL9 C22 C N N 1425 +PL9 C23 C N N 1426 +PL9 C24 C N N 1427 +PL9 C25 C N N 1428 +PL9 C26 C N N 1429 +PL9 C27 C N N 1430 +PL9 C28 C N N 1431 +PL9 C29 C N N 1432 +PL9 C30 C N N 1433 +PL9 C31 C N N 1434 +PL9 C32 C N N 1435 +PL9 C33 C N N 1436 +PL9 C34 C N N 1437 +PL9 C35 C N N 1438 +PL9 C36 C N N 1439 +PL9 C37 C N N 1440 +PL9 C38 C N N 1441 +PL9 C39 C N N 1442 +PL9 C40 C N N 1443 +PL9 C41 C N N 1444 +PL9 C42 C N N 1445 +PL9 C43 C N N 1446 +PL9 C44 C N N 1447 +PL9 C45 C N N 1448 +PL9 C46 C N N 1449 +PL9 C47 C N N 1450 +PL9 C48 C N N 1451 +PL9 C49 C N N 1452 +PL9 C50 C N N 1453 +PL9 C51 C N N 1454 +PL9 C52 C N N 1455 +PL9 C53 C N N 1456 +PL9 O1 O N N 1457 +PL9 O2 O N N 1458 +PL9 HC2 H N N 1459 +PL9 HC71 H N N 1460 +PL9 HC72 H N N 1461 +PL9 HC8 H N N 1462 +PL9 H101 H N N 1463 +PL9 H102 H N N 1464 +PL9 H103 H N N 1465 +PL9 H111 H N N 1466 +PL9 H112 H N N 1467 +PL9 H121 H N N 1468 +PL9 H122 H N N 1469 +PL9 H13 H N N 1470 +PL9 H151 H N N 1471 +PL9 H152 H N N 1472 +PL9 H153 H N N 1473 +PL9 H161 H N N 1474 +PL9 H162 H N N 1475 +PL9 H171 H N N 1476 +PL9 H172 H N N 1477 +PL9 H18 H N N 1478 +PL9 H201 H N N 1479 +PL9 H202 H N N 1480 +PL9 H203 H N N 1481 +PL9 H211 H N N 1482 +PL9 H212 H N N 1483 +PL9 H221 H N N 1484 +PL9 H222 H N N 1485 +PL9 H23 H N N 1486 +PL9 H251 H N N 1487 +PL9 H252 H N N 1488 +PL9 H253 H N N 1489 +PL9 H261 H N N 1490 +PL9 H262 H N N 1491 +PL9 H271 H N N 1492 +PL9 H272 H N N 1493 +PL9 H28 H N N 1494 +PL9 H301 H N N 1495 +PL9 H302 H N N 1496 +PL9 H303 H N N 1497 +PL9 H311 H N N 1498 +PL9 H312 H N N 1499 +PL9 H321 H N N 1500 +PL9 H322 H N N 1501 +PL9 H33 H N N 1502 +PL9 H351 H N N 1503 +PL9 H352 H N N 1504 +PL9 H353 H N N 1505 +PL9 H361 H N N 1506 +PL9 H362 H N N 1507 +PL9 H371 H N N 1508 +PL9 H372 H N N 1509 +PL9 H38 H N N 1510 +PL9 H401 H N N 1511 +PL9 H402 H N N 1512 +PL9 H403 H N N 1513 +PL9 H411 H N N 1514 +PL9 H412 H N N 1515 +PL9 H421 H N N 1516 +PL9 H422 H N N 1517 +PL9 H43 H N N 1518 +PL9 H451 H N N 1519 +PL9 H452 H N N 1520 +PL9 H453 H N N 1521 +PL9 H461 H N N 1522 +PL9 H462 H N N 1523 +PL9 H471 H N N 1524 +PL9 H472 H N N 1525 +PL9 H48 H N N 1526 +PL9 H501 H N N 1527 +PL9 H502 H N N 1528 +PL9 H503 H N N 1529 +PL9 H511 H N N 1530 +PL9 H512 H N N 1531 +PL9 H513 H N N 1532 +PL9 H521 H N N 1533 +PL9 H522 H N N 1534 +PL9 H523 H N N 1535 +PL9 H531 H N N 1536 +PL9 H532 H N N 1537 +PL9 H533 H N N 1538 +PRO N N N N 1539 +PRO CA C N S 1540 +PRO C C N N 1541 +PRO O O N N 1542 +PRO CB C N N 1543 +PRO CG C N N 1544 +PRO CD C N N 1545 +PRO OXT O N N 1546 +PRO H H N N 1547 +PRO HA H N N 1548 +PRO HB2 H N N 1549 +PRO HB3 H N N 1550 +PRO HG2 H N N 1551 +PRO HG3 H N N 1552 +PRO HD2 H N N 1553 +PRO HD3 H N N 1554 +PRO HXT H N N 1555 +SER N N N N 1556 +SER CA C N S 1557 +SER C C N N 1558 +SER O O N N 1559 +SER CB C N N 1560 +SER OG O N N 1561 +SER OXT O N N 1562 +SER H H N N 1563 +SER H2 H N N 1564 +SER HA H N N 1565 +SER HB2 H N N 1566 +SER HB3 H N N 1567 +SER HG H N N 1568 +SER HXT H N N 1569 +SQD O6 O N N 1570 +SQD C44 C N N 1571 +SQD C45 C N S 1572 +SQD C46 C N N 1573 +SQD O47 O N N 1574 +SQD C7 C N N 1575 +SQD O49 O N N 1576 +SQD C8 C N N 1577 +SQD C9 C N N 1578 +SQD C10 C N N 1579 +SQD C11 C N N 1580 +SQD C12 C N N 1581 +SQD C13 C N N 1582 +SQD C14 C N N 1583 +SQD C15 C N N 1584 +SQD C16 C N N 1585 +SQD C17 C N N 1586 +SQD C18 C N N 1587 +SQD C19 C N N 1588 +SQD C20 C N N 1589 +SQD C21 C N N 1590 +SQD C22 C N N 1591 +SQD O48 O N N 1592 +SQD C23 C N N 1593 +SQD O10 O N N 1594 +SQD C24 C N N 1595 +SQD C25 C N N 1596 +SQD C26 C N N 1597 +SQD C27 C N N 1598 +SQD C28 C N N 1599 +SQD C29 C N N 1600 +SQD C30 C N N 1601 +SQD C31 C N N 1602 +SQD C32 C N N 1603 +SQD C33 C N N 1604 +SQD C34 C N N 1605 +SQD C35 C N N 1606 +SQD C36 C N N 1607 +SQD C37 C N N 1608 +SQD C38 C N N 1609 +SQD C1 C N N 1610 +SQD C2 C N R 1611 +SQD O2 O N N 1612 +SQD C3 C N S 1613 +SQD O3 O N N 1614 +SQD C4 C N S 1615 +SQD O4 O N N 1616 +SQD C5 C N R 1617 +SQD C6 C N N 1618 +SQD O5 O N N 1619 +SQD S S N N 1620 +SQD O7 O N N 1621 +SQD O8 O N N 1622 +SQD O9 O N N 1623 +SQD H441 H N N 1624 +SQD H442 H N N 1625 +SQD H45 H N N 1626 +SQD H461 H N N 1627 +SQD H462 H N N 1628 +SQD H81 H N N 1629 +SQD H82 H N N 1630 +SQD H91 H N N 1631 +SQD H92 H N N 1632 +SQD H101 H N N 1633 +SQD H102 H N N 1634 +SQD H111 H N N 1635 +SQD H112 H N N 1636 +SQD H121 H N N 1637 +SQD H122 H N N 1638 +SQD H131 H N N 1639 +SQD H132 H N N 1640 +SQD H141 H N N 1641 +SQD H142 H N N 1642 +SQD H151 H N N 1643 +SQD H152 H N N 1644 +SQD H161 H N N 1645 +SQD H162 H N N 1646 +SQD H171 H N N 1647 +SQD H172 H N N 1648 +SQD H181 H N N 1649 +SQD H182 H N N 1650 +SQD H191 H N N 1651 +SQD H192 H N N 1652 +SQD H201 H N N 1653 +SQD H202 H N N 1654 +SQD H211 H N N 1655 +SQD H212 H N N 1656 +SQD H221 H N N 1657 +SQD H222 H N N 1658 +SQD H223 H N N 1659 +SQD H241 H N N 1660 +SQD H242 H N N 1661 +SQD H251 H N N 1662 +SQD H252 H N N 1663 +SQD H261 H N N 1664 +SQD H262 H N N 1665 +SQD H271 H N N 1666 +SQD H272 H N N 1667 +SQD H281 H N N 1668 +SQD H282 H N N 1669 +SQD H291 H N N 1670 +SQD H292 H N N 1671 +SQD H301 H N N 1672 +SQD H302 H N N 1673 +SQD H311 H N N 1674 +SQD H312 H N N 1675 +SQD H321 H N N 1676 +SQD H322 H N N 1677 +SQD H331 H N N 1678 +SQD H332 H N N 1679 +SQD H341 H N N 1680 +SQD H342 H N N 1681 +SQD H351 H N N 1682 +SQD H352 H N N 1683 +SQD H361 H N N 1684 +SQD H362 H N N 1685 +SQD H371 H N N 1686 +SQD H372 H N N 1687 +SQD H381 H N N 1688 +SQD H382 H N N 1689 +SQD H383 H N N 1690 +SQD H1 H N N 1691 +SQD H2 H N N 1692 +SQD HO2 H N N 1693 +SQD H3 H N N 1694 +SQD HO3 H N N 1695 +SQD H4 H N N 1696 +SQD HO4 H N N 1697 +SQD H5 H N N 1698 +SQD H61 H N N 1699 +SQD H62 H N N 1700 +SQD HO8 H N N 1701 +THR N N N N 1702 +THR CA C N S 1703 +THR C C N N 1704 +THR O O N N 1705 +THR CB C N R 1706 +THR OG1 O N N 1707 +THR CG2 C N N 1708 +THR OXT O N N 1709 +THR H H N N 1710 +THR H2 H N N 1711 +THR HA H N N 1712 +THR HB H N N 1713 +THR HG1 H N N 1714 +THR HG21 H N N 1715 +THR HG22 H N N 1716 +THR HG23 H N N 1717 +THR HXT H N N 1718 +TRP N N N N 1719 +TRP CA C N S 1720 +TRP C C N N 1721 +TRP O O N N 1722 +TRP CB C N N 1723 +TRP CG C Y N 1724 +TRP CD1 C Y N 1725 +TRP CD2 C Y N 1726 +TRP NE1 N Y N 1727 +TRP CE2 C Y N 1728 +TRP CE3 C Y N 1729 +TRP CZ2 C Y N 1730 +TRP CZ3 C Y N 1731 +TRP CH2 C Y N 1732 +TRP OXT O N N 1733 +TRP H H N N 1734 +TRP H2 H N N 1735 +TRP HA H N N 1736 +TRP HB2 H N N 1737 +TRP HB3 H N N 1738 +TRP HD1 H N N 1739 +TRP HE1 H N N 1740 +TRP HE3 H N N 1741 +TRP HZ2 H N N 1742 +TRP HZ3 H N N 1743 +TRP HH2 H N N 1744 +TRP HXT H N N 1745 +TYR N N N N 1746 +TYR CA C N S 1747 +TYR C C N N 1748 +TYR O O N N 1749 +TYR CB C N N 1750 +TYR CG C Y N 1751 +TYR CD1 C Y N 1752 +TYR CD2 C Y N 1753 +TYR CE1 C Y N 1754 +TYR CE2 C Y N 1755 +TYR CZ C Y N 1756 +TYR OH O N N 1757 +TYR OXT O N N 1758 +TYR H H N N 1759 +TYR H2 H N N 1760 +TYR HA H N N 1761 +TYR HB2 H N N 1762 +TYR HB3 H N N 1763 +TYR HD1 H N N 1764 +TYR HD2 H N N 1765 +TYR HE1 H N N 1766 +TYR HE2 H N N 1767 +TYR HH H N N 1768 +TYR HXT H N N 1769 +VAL N N N N 1770 +VAL CA C N S 1771 +VAL C C N N 1772 +VAL O O N N 1773 +VAL CB C N N 1774 +VAL CG1 C N N 1775 +VAL CG2 C N N 1776 +VAL OXT O N N 1777 +VAL H H N N 1778 +VAL H2 H N N 1779 +VAL HA H N N 1780 +VAL HB H N N 1781 +VAL HG11 H N N 1782 +VAL HG12 H N N 1783 +VAL HG13 H N N 1784 +VAL HG21 H N N 1785 +VAL HG22 H N N 1786 +VAL HG23 H N N 1787 +VAL HXT H N N 1788 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +BCR C1 C2 sing N N 70 +BCR C1 C6 sing N N 71 +BCR C1 C31 sing N N 72 +BCR C1 C32 sing N N 73 +BCR C2 C3 sing N N 74 +BCR C2 HC21 sing N N 75 +BCR C2 HC22 sing N N 76 +BCR C3 C4 sing N N 77 +BCR C3 HC31 sing N N 78 +BCR C3 HC32 sing N N 79 +BCR C4 C5 sing N N 80 +BCR C4 HC41 sing N N 81 +BCR C4 HC42 sing N N 82 +BCR C5 C6 doub N N 83 +BCR C5 C33 sing N N 84 +BCR C6 C7 sing N N 85 +BCR C7 C8 doub N E 86 +BCR C7 HC7 sing N N 87 +BCR C8 C9 sing N N 88 +BCR C8 HC8 sing N N 89 +BCR C9 C10 doub N E 90 +BCR C9 C34 sing N N 91 +BCR C10 C11 sing N N 92 +BCR C10 H10C sing N N 93 +BCR C11 C12 doub N E 94 +BCR C11 H11C sing N N 95 +BCR C33 H331 sing N N 96 +BCR C33 H332 sing N N 97 +BCR C33 H333 sing N N 98 +BCR C31 H311 sing N N 99 +BCR C31 H312 sing N N 100 +BCR C31 H313 sing N N 101 +BCR C32 H321 sing N N 102 +BCR C32 H322 sing N N 103 +BCR C32 H323 sing N N 104 +BCR C34 H341 sing N N 105 +BCR C34 H342 sing N N 106 +BCR C34 H343 sing N N 107 +BCR C12 C13 sing N N 108 +BCR C12 H12C sing N N 109 +BCR C13 C14 doub N E 110 +BCR C13 C35 sing N N 111 +BCR C14 C15 sing N N 112 +BCR C14 H14C sing N N 113 +BCR C15 C16 doub N E 114 +BCR C15 H15C sing N N 115 +BCR C16 C17 sing N N 116 +BCR C16 H16C sing N N 117 +BCR C17 C18 doub N E 118 +BCR C17 H17C sing N N 119 +BCR C18 C19 sing N N 120 +BCR C18 C36 sing N N 121 +BCR C19 C20 doub N E 122 +BCR C19 H19C sing N N 123 +BCR C20 C21 sing N N 124 +BCR C20 H20C sing N N 125 +BCR C21 C22 doub N E 126 +BCR C21 H21C sing N N 127 +BCR C22 C23 sing N N 128 +BCR C22 C37 sing N N 129 +BCR C23 C24 doub N E 130 +BCR C23 H23C sing N N 131 +BCR C24 C25 sing N N 132 +BCR C24 H24C sing N N 133 +BCR C25 C26 doub N N 134 +BCR C25 C30 sing N N 135 +BCR C26 C27 sing N N 136 +BCR C26 C38 sing N N 137 +BCR C27 C28 sing N N 138 +BCR C27 H271 sing N N 139 +BCR C27 H272 sing N N 140 +BCR C28 C29 sing N N 141 +BCR C28 H281 sing N N 142 +BCR C28 H282 sing N N 143 +BCR C29 C30 sing N N 144 +BCR C29 H291 sing N N 145 +BCR C29 H292 sing N N 146 +BCR C30 C39 sing N N 147 +BCR C30 C40 sing N N 148 +BCR C35 H351 sing N N 149 +BCR C35 H352 sing N N 150 +BCR C35 H353 sing N N 151 +BCR C36 H361 sing N N 152 +BCR C36 H362 sing N N 153 +BCR C36 H363 sing N N 154 +BCR C37 H371 sing N N 155 +BCR C37 H372 sing N N 156 +BCR C37 H373 sing N N 157 +BCR C38 H381 sing N N 158 +BCR C38 H382 sing N N 159 +BCR C38 H383 sing N N 160 +BCR C39 H391 sing N N 161 +BCR C39 H392 sing N N 162 +BCR C39 H393 sing N N 163 +BCR C40 H401 sing N N 164 +BCR C40 H402 sing N N 165 +BCR C40 H403 sing N N 166 +BCT C O1 doub N N 167 +BCT C O2 sing N N 168 +BCT C O3 sing N N 169 +BCT O3 HO3 sing N N 170 +CLA MG NA sing N N 171 +CLA MG NB sing N N 172 +CLA MG NC sing N N 173 +CLA MG ND sing N N 174 +CLA CHA C1A sing N N 175 +CLA CHA C4D doub N N 176 +CLA CHA CBD sing N N 177 +CLA CHB C4A doub N N 178 +CLA CHB C1B sing N N 179 +CLA CHB HHB sing N N 180 +CLA CHC C4B sing N N 181 +CLA CHC C1C doub N N 182 +CLA CHC HHC sing N N 183 +CLA CHD C4C sing N N 184 +CLA CHD C1D doub N N 185 +CLA CHD HHD sing N N 186 +CLA NA C1A doub N N 187 +CLA NA C4A sing N N 188 +CLA C1A C2A sing N N 189 +CLA C2A C3A sing N N 190 +CLA C2A CAA sing N N 191 +CLA C2A H2A sing N N 192 +CLA C3A C4A sing N N 193 +CLA C3A CMA sing N N 194 +CLA C3A H3A sing N N 195 +CLA CMA HMA1 sing N N 196 +CLA CMA HMA2 sing N N 197 +CLA CMA HMA3 sing N N 198 +CLA CAA CBA sing N N 199 +CLA CAA HAA1 sing N N 200 +CLA CAA HAA2 sing N N 201 +CLA CBA CGA sing N N 202 +CLA CBA HBA1 sing N N 203 +CLA CBA HBA2 sing N N 204 +CLA CGA O1A doub N N 205 +CLA CGA O2A sing N N 206 +CLA O2A C1 sing N N 207 +CLA NB C1B sing Y N 208 +CLA NB C4B sing Y N 209 +CLA C1B C2B doub Y N 210 +CLA C2B C3B sing Y N 211 +CLA C2B CMB sing N N 212 +CLA C3B C4B doub Y N 213 +CLA C3B CAB sing N N 214 +CLA CMB HMB1 sing N N 215 +CLA CMB HMB2 sing N N 216 +CLA CMB HMB3 sing N N 217 +CLA CAB CBB doub N N 218 +CLA CAB HAB sing N N 219 +CLA CBB HBB1 sing N N 220 +CLA CBB HBB2 sing N N 221 +CLA NC C1C sing N N 222 +CLA NC C4C doub N N 223 +CLA C1C C2C sing N N 224 +CLA C2C C3C doub N N 225 +CLA C2C CMC sing N N 226 +CLA C3C C4C sing N N 227 +CLA C3C CAC sing N N 228 +CLA CMC HMC1 sing N N 229 +CLA CMC HMC2 sing N N 230 +CLA CMC HMC3 sing N N 231 +CLA CAC CBC sing N N 232 +CLA CAC HAC1 sing N N 233 +CLA CAC HAC2 sing N N 234 +CLA CBC HBC1 sing N N 235 +CLA CBC HBC2 sing N N 236 +CLA CBC HBC3 sing N N 237 +CLA ND C1D sing N N 238 +CLA ND C4D sing N N 239 +CLA C1D C2D sing N N 240 +CLA C2D C3D doub N N 241 +CLA C2D CMD sing N N 242 +CLA C3D C4D sing N N 243 +CLA C3D CAD sing N N 244 +CLA CMD HMD1 sing N N 245 +CLA CMD HMD2 sing N N 246 +CLA CMD HMD3 sing N N 247 +CLA CAD OBD doub N N 248 +CLA CAD CBD sing N N 249 +CLA CBD CGD sing N N 250 +CLA CBD HBD sing N N 251 +CLA CGD O1D doub N N 252 +CLA CGD O2D sing N N 253 +CLA O2D CED sing N N 254 +CLA CED HED1 sing N N 255 +CLA CED HED2 sing N N 256 +CLA CED HED3 sing N N 257 +CLA C1 C2 sing N N 258 +CLA C1 H11 sing N N 259 +CLA C1 H12 sing N N 260 +CLA C2 C3 doub N E 261 +CLA C2 H2 sing N N 262 +CLA C3 C4 sing N N 263 +CLA C3 C5 sing N N 264 +CLA C4 H41 sing N N 265 +CLA C4 H42 sing N N 266 +CLA C4 H43 sing N N 267 +CLA C5 C6 sing N N 268 +CLA C5 H51 sing N N 269 +CLA C5 H52 sing N N 270 +CLA C6 C7 sing N N 271 +CLA C6 H61 sing N N 272 +CLA C6 H62 sing N N 273 +CLA C7 C8 sing N N 274 +CLA C7 H71 sing N N 275 +CLA C7 H72 sing N N 276 +CLA C8 C9 sing N N 277 +CLA C8 C10 sing N N 278 +CLA C8 H8 sing N N 279 +CLA C9 H91 sing N N 280 +CLA C9 H92 sing N N 281 +CLA C9 H93 sing N N 282 +CLA C10 C11 sing N N 283 +CLA C10 H101 sing N N 284 +CLA C10 H102 sing N N 285 +CLA C11 C12 sing N N 286 +CLA C11 H111 sing N N 287 +CLA C11 H112 sing N N 288 +CLA C12 C13 sing N N 289 +CLA C12 H121 sing N N 290 +CLA C12 H122 sing N N 291 +CLA C13 C14 sing N N 292 +CLA C13 C15 sing N N 293 +CLA C13 H13 sing N N 294 +CLA C14 H141 sing N N 295 +CLA C14 H142 sing N N 296 +CLA C14 H143 sing N N 297 +CLA C15 C16 sing N N 298 +CLA C15 H151 sing N N 299 +CLA C15 H152 sing N N 300 +CLA C16 C17 sing N N 301 +CLA C16 H161 sing N N 302 +CLA C16 H162 sing N N 303 +CLA C17 C18 sing N N 304 +CLA C17 H171 sing N N 305 +CLA C17 H172 sing N N 306 +CLA C18 C19 sing N N 307 +CLA C18 C20 sing N N 308 +CLA C18 H18 sing N N 309 +CLA C19 H191 sing N N 310 +CLA C19 H192 sing N N 311 +CLA C19 H193 sing N N 312 +CLA C20 H201 sing N N 313 +CLA C20 H202 sing N N 314 +CLA C20 H203 sing N N 315 +CYS N CA sing N N 316 +CYS N H sing N N 317 +CYS N H2 sing N N 318 +CYS CA C sing N N 319 +CYS CA CB sing N N 320 +CYS CA HA sing N N 321 +CYS C O doub N N 322 +CYS C OXT sing N N 323 +CYS CB SG sing N N 324 +CYS CB HB2 sing N N 325 +CYS CB HB3 sing N N 326 +CYS SG HG sing N N 327 +CYS OXT HXT sing N N 328 +DGD C1A C2A sing N N 329 +DGD C1A O1A doub N N 330 +DGD C1A O1G sing N N 331 +DGD C2A C3A sing N N 332 +DGD C2A HA21 sing N N 333 +DGD C2A HA22 sing N N 334 +DGD C3A C4A sing N N 335 +DGD C3A HA31 sing N N 336 +DGD C3A HA32 sing N N 337 +DGD C4A C5A sing N N 338 +DGD C4A HA41 sing N N 339 +DGD C4A HA42 sing N N 340 +DGD C5A C6A sing N N 341 +DGD C5A HA51 sing N N 342 +DGD C5A HA52 sing N N 343 +DGD C6A C7A sing N N 344 +DGD C6A HA61 sing N N 345 +DGD C6A HA62 sing N N 346 +DGD C7A C8A sing N N 347 +DGD C7A HA71 sing N N 348 +DGD C7A HA72 sing N N 349 +DGD C8A C9A sing N N 350 +DGD C8A HA81 sing N N 351 +DGD C8A HA82 sing N N 352 +DGD C9A CAA sing N N 353 +DGD C9A HA91 sing N N 354 +DGD C9A HA92 sing N N 355 +DGD CAA CBA sing N N 356 +DGD CAA HAT1 sing N N 357 +DGD CAA HAT2 sing N N 358 +DGD CBA CCA sing N N 359 +DGD CBA HAE1 sing N N 360 +DGD CBA HAE2 sing N N 361 +DGD CCA CDA sing N N 362 +DGD CCA HAW1 sing N N 363 +DGD CCA HAW2 sing N N 364 +DGD CDA CEA sing N N 365 +DGD CDA HAH1 sing N N 366 +DGD CDA HAH2 sing N N 367 +DGD CEA CFA sing N N 368 +DGD CEA HAF1 sing N N 369 +DGD CEA HAF2 sing N N 370 +DGD CFA CGA sing N N 371 +DGD CFA HAN1 sing N N 372 +DGD CFA HAN2 sing N N 373 +DGD CGA CHA sing N N 374 +DGD CGA HAS1 sing N N 375 +DGD CGA HAS2 sing N N 376 +DGD CHA CIA sing N N 377 +DGD CHA HAV1 sing N N 378 +DGD CHA HAV2 sing N N 379 +DGD CIA HAG1 sing N N 380 +DGD CIA HAG2 sing N N 381 +DGD CIA HAG3 sing N N 382 +DGD C1B C2B sing N N 383 +DGD C1B O1B doub N N 384 +DGD C1B O2G sing N N 385 +DGD C2B C3B sing N N 386 +DGD C2B HB21 sing N N 387 +DGD C2B HB22 sing N N 388 +DGD C3B C4B sing N N 389 +DGD C3B HB31 sing N N 390 +DGD C3B HB32 sing N N 391 +DGD C4B C5B sing N N 392 +DGD C4B HB41 sing N N 393 +DGD C4B HB42 sing N N 394 +DGD C5B C6B sing N N 395 +DGD C5B HB51 sing N N 396 +DGD C5B HB52 sing N N 397 +DGD C6B C7B sing N N 398 +DGD C6B HB61 sing N N 399 +DGD C6B HB62 sing N N 400 +DGD C7B C8B sing N N 401 +DGD C7B HB71 sing N N 402 +DGD C7B HB72 sing N N 403 +DGD C8B C9B sing N N 404 +DGD C8B HB81 sing N N 405 +DGD C8B HB82 sing N N 406 +DGD C9B CAB sing N N 407 +DGD C9B HB91 sing N N 408 +DGD C9B HB92 sing N N 409 +DGD CAB CBB sing N N 410 +DGD CAB HBT1 sing N N 411 +DGD CAB HBT2 sing N N 412 +DGD CBB CCB sing N N 413 +DGD CBB HBE1 sing N N 414 +DGD CBB HBE2 sing N N 415 +DGD CCB CDB sing N N 416 +DGD CCB HBW1 sing N N 417 +DGD CCB HBW2 sing N N 418 +DGD CDB CEB sing N N 419 +DGD CDB HBH1 sing N N 420 +DGD CDB HBH2 sing N N 421 +DGD CEB CFB sing N N 422 +DGD CEB HBF1 sing N N 423 +DGD CEB HBF2 sing N N 424 +DGD CFB CGB sing N N 425 +DGD CFB HBN1 sing N N 426 +DGD CFB HBN2 sing N N 427 +DGD CGB CHB sing N N 428 +DGD CGB HBS1 sing N N 429 +DGD CGB HBS2 sing N N 430 +DGD CHB CIB sing N N 431 +DGD CHB HBV1 sing N N 432 +DGD CHB HBV2 sing N N 433 +DGD CIB HBG1 sing N N 434 +DGD CIB HBG2 sing N N 435 +DGD CIB HBG3 sing N N 436 +DGD O1G C1G sing N N 437 +DGD C1G C2G sing N N 438 +DGD C1G HG11 sing N N 439 +DGD C1G HG12 sing N N 440 +DGD C2G O2G sing N N 441 +DGD C2G C3G sing N N 442 +DGD C2G HG2 sing N N 443 +DGD C3G O3G sing N N 444 +DGD C3G HG31 sing N N 445 +DGD C3G HG32 sing N N 446 +DGD O3G C1D sing N N 447 +DGD C1D C2D sing N N 448 +DGD C1D O6D sing N N 449 +DGD C1D HD1 sing N N 450 +DGD C2D O2D sing N N 451 +DGD C2D C3D sing N N 452 +DGD C2D HD2 sing N N 453 +DGD O2D HO2D sing N N 454 +DGD C3D O3D sing N N 455 +DGD C3D C4D sing N N 456 +DGD C3D HD3 sing N N 457 +DGD O3D HO3D sing N N 458 +DGD C4D O4D sing N N 459 +DGD C4D C5D sing N N 460 +DGD C4D HD4 sing N N 461 +DGD O4D HO4D sing N N 462 +DGD C5D C6D sing N N 463 +DGD C5D O6D sing N N 464 +DGD C5D HD5 sing N N 465 +DGD O5D C6D sing N N 466 +DGD O5D C1E sing N N 467 +DGD C6D HD61 sing N N 468 +DGD C6D HD62 sing N N 469 +DGD C1E C2E sing N N 470 +DGD C1E O6E sing N N 471 +DGD C1E HE1 sing N N 472 +DGD C2E O2E sing N N 473 +DGD C2E C3E sing N N 474 +DGD C2E HE2 sing N N 475 +DGD O2E HO2E sing N N 476 +DGD C3E O3E sing N N 477 +DGD C3E C4E sing N N 478 +DGD C3E HE3 sing N N 479 +DGD O3E HO3E sing N N 480 +DGD C4E O4E sing N N 481 +DGD C4E C5E sing N N 482 +DGD C4E HE4 sing N N 483 +DGD O4E HO4E sing N N 484 +DGD C5E O6E sing N N 485 +DGD C5E C6E sing N N 486 +DGD C5E HE5 sing N N 487 +DGD C6E O5E sing N N 488 +DGD C6E HE61 sing N N 489 +DGD C6E HE62 sing N N 490 +DGD O5E HO5E sing N N 491 +FME N CN sing N N 492 +FME N CA sing N N 493 +FME N H sing N N 494 +FME CN O1 doub N N 495 +FME CN HCN sing N N 496 +FME CA CB sing N N 497 +FME CA C sing N N 498 +FME CA HA sing N N 499 +FME CB CG sing N N 500 +FME CB HB2 sing N N 501 +FME CB HB3 sing N N 502 +FME CG SD sing N N 503 +FME CG HG2 sing N N 504 +FME CG HG3 sing N N 505 +FME SD CE sing N N 506 +FME CE HE1 sing N N 507 +FME CE HE2 sing N N 508 +FME CE HE3 sing N N 509 +FME C O doub N N 510 +FME C OXT sing N N 511 +FME OXT HXT sing N N 512 +GLN N CA sing N N 513 +GLN N H sing N N 514 +GLN N H2 sing N N 515 +GLN CA C sing N N 516 +GLN CA CB sing N N 517 +GLN CA HA sing N N 518 +GLN C O doub N N 519 +GLN C OXT sing N N 520 +GLN CB CG sing N N 521 +GLN CB HB2 sing N N 522 +GLN CB HB3 sing N N 523 +GLN CG CD sing N N 524 +GLN CG HG2 sing N N 525 +GLN CG HG3 sing N N 526 +GLN CD OE1 doub N N 527 +GLN CD NE2 sing N N 528 +GLN NE2 HE21 sing N N 529 +GLN NE2 HE22 sing N N 530 +GLN OXT HXT sing N N 531 +GLU N CA sing N N 532 +GLU N H sing N N 533 +GLU N H2 sing N N 534 +GLU CA C sing N N 535 +GLU CA CB sing N N 536 +GLU CA HA sing N N 537 +GLU C O doub N N 538 +GLU C OXT sing N N 539 +GLU CB CG sing N N 540 +GLU CB HB2 sing N N 541 +GLU CB HB3 sing N N 542 +GLU CG CD sing N N 543 +GLU CG HG2 sing N N 544 +GLU CG HG3 sing N N 545 +GLU CD OE1 doub N N 546 +GLU CD OE2 sing N N 547 +GLU OE2 HE2 sing N N 548 +GLU OXT HXT sing N N 549 +GLY N CA sing N N 550 +GLY N H sing N N 551 +GLY N H2 sing N N 552 +GLY CA C sing N N 553 +GLY CA HA2 sing N N 554 +GLY CA HA3 sing N N 555 +GLY C O doub N N 556 +GLY C OXT sing N N 557 +GLY OXT HXT sing N N 558 +GOL C1 O1 sing N N 559 +GOL C1 C2 sing N N 560 +GOL C1 H11 sing N N 561 +GOL C1 H12 sing N N 562 +GOL O1 HO1 sing N N 563 +GOL C2 O2 sing N N 564 +GOL C2 C3 sing N N 565 +GOL C2 H2 sing N N 566 +GOL O2 HO2 sing N N 567 +GOL C3 O3 sing N N 568 +GOL C3 H31 sing N N 569 +GOL C3 H32 sing N N 570 +GOL O3 HO3 sing N N 571 +HEC FE NA sing N N 572 +HEC FE NB sing N N 573 +HEC FE NC sing N N 574 +HEC FE ND sing N N 575 +HEC CHA C1A doub N N 576 +HEC CHA C4D sing N N 577 +HEC CHA HHA sing N N 578 +HEC CHB C4A doub N N 579 +HEC CHB C1B sing N N 580 +HEC CHB HHB sing N N 581 +HEC CHC C4B doub N N 582 +HEC CHC C1C sing N N 583 +HEC CHC HHC sing N N 584 +HEC CHD C4C doub N N 585 +HEC CHD C1D sing N N 586 +HEC CHD HHD sing N N 587 +HEC NA C1A sing Y N 588 +HEC NA C4A sing Y N 589 +HEC C1A C2A sing Y N 590 +HEC C2A C3A doub Y N 591 +HEC C2A CAA sing N N 592 +HEC C3A C4A sing Y N 593 +HEC C3A CMA sing N N 594 +HEC CMA HMA1 sing N N 595 +HEC CMA HMA2 sing N N 596 +HEC CMA HMA3 sing N N 597 +HEC CAA CBA sing N N 598 +HEC CAA HAA1 sing N N 599 +HEC CAA HAA2 sing N N 600 +HEC CBA CGA sing N N 601 +HEC CBA HBA1 sing N N 602 +HEC CBA HBA2 sing N N 603 +HEC CGA O1A doub N N 604 +HEC CGA O2A sing N N 605 +HEC O2A H2A sing N N 606 +HEC NB C1B sing Y N 607 +HEC NB C4B sing Y N 608 +HEC C1B C2B doub Y N 609 +HEC C2B C3B sing Y N 610 +HEC C2B CMB sing N N 611 +HEC C3B C4B sing Y N 612 +HEC C3B CAB doub N E 613 +HEC CMB HMB1 sing N N 614 +HEC CMB HMB2 sing N N 615 +HEC CMB HMB3 sing N N 616 +HEC CAB CBB sing N N 617 +HEC CAB HAB sing N N 618 +HEC CBB HBB1 sing N N 619 +HEC CBB HBB2 sing N N 620 +HEC CBB HBB3 sing N N 621 +HEC NC C1C sing Y N 622 +HEC NC C4C sing Y N 623 +HEC C1C C2C doub Y N 624 +HEC C2C C3C sing Y N 625 +HEC C2C CMC sing N N 626 +HEC C3C C4C sing Y N 627 +HEC C3C CAC doub N E 628 +HEC CMC HMC1 sing N N 629 +HEC CMC HMC2 sing N N 630 +HEC CMC HMC3 sing N N 631 +HEC CAC CBC sing N N 632 +HEC CAC HAC sing N N 633 +HEC CBC HBC1 sing N N 634 +HEC CBC HBC2 sing N N 635 +HEC CBC HBC3 sing N N 636 +HEC ND C1D sing Y N 637 +HEC ND C4D sing Y N 638 +HEC C1D C2D doub Y N 639 +HEC C2D C3D sing Y N 640 +HEC C2D CMD sing N N 641 +HEC C3D C4D doub Y N 642 +HEC C3D CAD sing N N 643 +HEC CMD HMD1 sing N N 644 +HEC CMD HMD2 sing N N 645 +HEC CMD HMD3 sing N N 646 +HEC CAD CBD sing N N 647 +HEC CAD HAD1 sing N N 648 +HEC CAD HAD2 sing N N 649 +HEC CBD CGD sing N N 650 +HEC CBD HBD1 sing N N 651 +HEC CBD HBD2 sing N N 652 +HEC CGD O1D doub N N 653 +HEC CGD O2D sing N N 654 +HEC O2D H2D sing N N 655 +HEM CHA C1A sing N N 656 +HEM CHA C4D doub N N 657 +HEM CHA HHA sing N N 658 +HEM CHB C4A sing N N 659 +HEM CHB C1B doub N N 660 +HEM CHB HHB sing N N 661 +HEM CHC C4B sing N N 662 +HEM CHC C1C doub N N 663 +HEM CHC HHC sing N N 664 +HEM CHD C4C doub N N 665 +HEM CHD C1D sing N N 666 +HEM CHD HHD sing N N 667 +HEM C1A C2A doub Y N 668 +HEM C1A NA sing Y N 669 +HEM C2A C3A sing Y N 670 +HEM C2A CAA sing N N 671 +HEM C3A C4A doub Y N 672 +HEM C3A CMA sing N N 673 +HEM C4A NA sing Y N 674 +HEM CMA HMA sing N N 675 +HEM CMA HMAA sing N N 676 +HEM CMA HMAB sing N N 677 +HEM CAA CBA sing N N 678 +HEM CAA HAA sing N N 679 +HEM CAA HAAA sing N N 680 +HEM CBA CGA sing N N 681 +HEM CBA HBA sing N N 682 +HEM CBA HBAA sing N N 683 +HEM CGA O1A doub N N 684 +HEM CGA O2A sing N N 685 +HEM C1B C2B sing N N 686 +HEM C1B NB sing N N 687 +HEM C2B C3B doub N N 688 +HEM C2B CMB sing N N 689 +HEM C3B C4B sing N N 690 +HEM C3B CAB sing N N 691 +HEM C4B NB doub N N 692 +HEM CMB HMB sing N N 693 +HEM CMB HMBA sing N N 694 +HEM CMB HMBB sing N N 695 +HEM CAB CBB doub N N 696 +HEM CAB HAB sing N N 697 +HEM CBB HBB sing N N 698 +HEM CBB HBBA sing N N 699 +HEM C1C C2C sing Y N 700 +HEM C1C NC sing Y N 701 +HEM C2C C3C doub Y N 702 +HEM C2C CMC sing N N 703 +HEM C3C C4C sing Y N 704 +HEM C3C CAC sing N N 705 +HEM C4C NC sing Y N 706 +HEM CMC HMC sing N N 707 +HEM CMC HMCA sing N N 708 +HEM CMC HMCB sing N N 709 +HEM CAC CBC doub N N 710 +HEM CAC HAC sing N N 711 +HEM CBC HBC sing N N 712 +HEM CBC HBCA sing N N 713 +HEM C1D C2D sing N N 714 +HEM C1D ND doub N N 715 +HEM C2D C3D doub N N 716 +HEM C2D CMD sing N N 717 +HEM C3D C4D sing N N 718 +HEM C3D CAD sing N N 719 +HEM C4D ND sing N N 720 +HEM CMD HMD sing N N 721 +HEM CMD HMDA sing N N 722 +HEM CMD HMDB sing N N 723 +HEM CAD CBD sing N N 724 +HEM CAD HAD sing N N 725 +HEM CAD HADA sing N N 726 +HEM CBD CGD sing N N 727 +HEM CBD HBD sing N N 728 +HEM CBD HBDA sing N N 729 +HEM CGD O1D doub N N 730 +HEM CGD O2D sing N N 731 +HEM O2A H2A sing N N 732 +HEM O2D H2D sing N N 733 +HEM FE NA sing N N 734 +HEM FE NB sing N N 735 +HEM FE NC sing N N 736 +HEM FE ND sing N N 737 +HIS N CA sing N N 738 +HIS N H sing N N 739 +HIS N H2 sing N N 740 +HIS CA C sing N N 741 +HIS CA CB sing N N 742 +HIS CA HA sing N N 743 +HIS C O doub N N 744 +HIS C OXT sing N N 745 +HIS CB CG sing N N 746 +HIS CB HB2 sing N N 747 +HIS CB HB3 sing N N 748 +HIS CG ND1 sing Y N 749 +HIS CG CD2 doub Y N 750 +HIS ND1 CE1 doub Y N 751 +HIS ND1 HD1 sing N N 752 +HIS CD2 NE2 sing Y N 753 +HIS CD2 HD2 sing N N 754 +HIS CE1 NE2 sing Y N 755 +HIS CE1 HE1 sing N N 756 +HIS NE2 HE2 sing N N 757 +HIS OXT HXT sing N N 758 +HOH O H1 sing N N 759 +HOH O H2 sing N N 760 +HTG C1 S1 sing N N 761 +HTG C1 C2 sing N N 762 +HTG C1 O5 sing N N 763 +HTG C1 H1 sing N N 764 +HTG S1 "C1'" sing N N 765 +HTG C2 O2 sing N N 766 +HTG C2 C3 sing N N 767 +HTG C2 H2 sing N N 768 +HTG O2 HO2 sing N N 769 +HTG C3 O3 sing N N 770 +HTG C3 C4 sing N N 771 +HTG C3 H3 sing N N 772 +HTG O3 HO3 sing N N 773 +HTG C4 O4 sing N N 774 +HTG C4 C5 sing N N 775 +HTG C4 H4 sing N N 776 +HTG O4 HO4 sing N N 777 +HTG C5 O5 sing N N 778 +HTG C5 C6 sing N N 779 +HTG C5 H5 sing N N 780 +HTG C6 O6 sing N N 781 +HTG C6 H61 sing N N 782 +HTG C6 H62 sing N N 783 +HTG O6 HO6 sing N N 784 +HTG "C1'" "C2'" sing N N 785 +HTG "C1'" "H1'1" sing N N 786 +HTG "C1'" "H1'2" sing N N 787 +HTG "C2'" "C3'" sing N N 788 +HTG "C2'" "H2'1" sing N N 789 +HTG "C2'" "H2'2" sing N N 790 +HTG "C3'" "C4'" sing N N 791 +HTG "C3'" "H3'1" sing N N 792 +HTG "C3'" "H3'2" sing N N 793 +HTG "C4'" "C5'" sing N N 794 +HTG "C4'" "H4'1" sing N N 795 +HTG "C4'" "H4'2" sing N N 796 +HTG "C5'" "C6'" sing N N 797 +HTG "C5'" "H5'1" sing N N 798 +HTG "C5'" "H5'2" sing N N 799 +HTG "C6'" "C7'" sing N N 800 +HTG "C6'" "H6'1" sing N N 801 +HTG "C6'" "H6'2" sing N N 802 +HTG "C7'" "H7'1" sing N N 803 +HTG "C7'" "H7'2" sing N N 804 +HTG "C7'" "H7'3" sing N N 805 +ILE N CA sing N N 806 +ILE N H sing N N 807 +ILE N H2 sing N N 808 +ILE CA C sing N N 809 +ILE CA CB sing N N 810 +ILE CA HA sing N N 811 +ILE C O doub N N 812 +ILE C OXT sing N N 813 +ILE CB CG1 sing N N 814 +ILE CB CG2 sing N N 815 +ILE CB HB sing N N 816 +ILE CG1 CD1 sing N N 817 +ILE CG1 HG12 sing N N 818 +ILE CG1 HG13 sing N N 819 +ILE CG2 HG21 sing N N 820 +ILE CG2 HG22 sing N N 821 +ILE CG2 HG23 sing N N 822 +ILE CD1 HD11 sing N N 823 +ILE CD1 HD12 sing N N 824 +ILE CD1 HD13 sing N N 825 +ILE OXT HXT sing N N 826 +LEU N CA sing N N 827 +LEU N H sing N N 828 +LEU N H2 sing N N 829 +LEU CA C sing N N 830 +LEU CA CB sing N N 831 +LEU CA HA sing N N 832 +LEU C O doub N N 833 +LEU C OXT sing N N 834 +LEU CB CG sing N N 835 +LEU CB HB2 sing N N 836 +LEU CB HB3 sing N N 837 +LEU CG CD1 sing N N 838 +LEU CG CD2 sing N N 839 +LEU CG HG sing N N 840 +LEU CD1 HD11 sing N N 841 +LEU CD1 HD12 sing N N 842 +LEU CD1 HD13 sing N N 843 +LEU CD2 HD21 sing N N 844 +LEU CD2 HD22 sing N N 845 +LEU CD2 HD23 sing N N 846 +LEU OXT HXT sing N N 847 +LHG O1 C1 sing N N 848 +LHG O1 HO1 sing N N 849 +LHG C1 C2 sing N N 850 +LHG C1 HC11 sing N N 851 +LHG C1 HC12 sing N N 852 +LHG C2 O2 sing N N 853 +LHG C2 C3 sing N N 854 +LHG C2 HC2 sing N N 855 +LHG O2 H02 sing N N 856 +LHG C3 O3 sing N N 857 +LHG C3 HC31 sing N N 858 +LHG C3 HC32 sing N N 859 +LHG O3 P sing N N 860 +LHG P O4 sing N N 861 +LHG P O5 doub N N 862 +LHG P O6 sing N N 863 +LHG O4 HO4 sing N N 864 +LHG O6 C4 sing N N 865 +LHG C4 C5 sing N N 866 +LHG C4 HC41 sing N N 867 +LHG C4 HC42 sing N N 868 +LHG C5 C6 sing N N 869 +LHG C5 O7 sing N N 870 +LHG C5 HC5 sing N N 871 +LHG C6 O8 sing N N 872 +LHG C6 HC61 sing N N 873 +LHG C6 HC62 sing N N 874 +LHG O7 C7 sing N N 875 +LHG C7 O9 doub N N 876 +LHG C7 C8 sing N N 877 +LHG C8 C9 sing N N 878 +LHG C8 HC81 sing N N 879 +LHG C8 HC82 sing N N 880 +LHG C9 C10 sing N N 881 +LHG C9 HC91 sing N N 882 +LHG C9 HC92 sing N N 883 +LHG C10 C11 sing N N 884 +LHG C10 H101 sing N N 885 +LHG C10 H102 sing N N 886 +LHG O8 C23 sing N N 887 +LHG C23 O10 doub N N 888 +LHG C23 C24 sing N N 889 +LHG C24 C25 sing N N 890 +LHG C24 H241 sing N N 891 +LHG C24 H242 sing N N 892 +LHG C11 C12 sing N N 893 +LHG C11 H111 sing N N 894 +LHG C11 H112 sing N N 895 +LHG C12 C13 sing N N 896 +LHG C12 H121 sing N N 897 +LHG C12 H122 sing N N 898 +LHG C13 C14 sing N N 899 +LHG C13 H131 sing N N 900 +LHG C13 H132 sing N N 901 +LHG C14 C15 sing N N 902 +LHG C14 H141 sing N N 903 +LHG C14 H142 sing N N 904 +LHG C15 C16 sing N N 905 +LHG C15 H151 sing N N 906 +LHG C15 H152 sing N N 907 +LHG C16 C17 sing N N 908 +LHG C16 H161 sing N N 909 +LHG C16 H162 sing N N 910 +LHG C17 C18 sing N N 911 +LHG C17 H171 sing N N 912 +LHG C17 H172 sing N N 913 +LHG C18 C19 sing N N 914 +LHG C18 H181 sing N N 915 +LHG C18 H182 sing N N 916 +LHG C19 C20 sing N N 917 +LHG C19 H191 sing N N 918 +LHG C19 H192 sing N N 919 +LHG C20 C21 sing N N 920 +LHG C20 H201 sing N N 921 +LHG C20 H202 sing N N 922 +LHG C21 C22 sing N N 923 +LHG C21 H211 sing N N 924 +LHG C21 H212 sing N N 925 +LHG C22 H221 sing N N 926 +LHG C22 H222 sing N N 927 +LHG C22 H223 sing N N 928 +LHG C25 C26 sing N N 929 +LHG C25 H251 sing N N 930 +LHG C25 H252 sing N N 931 +LHG C26 C27 sing N N 932 +LHG C26 H261 sing N N 933 +LHG C26 H262 sing N N 934 +LHG C27 C28 sing N N 935 +LHG C27 H271 sing N N 936 +LHG C27 H272 sing N N 937 +LHG C28 C29 sing N N 938 +LHG C28 H281 sing N N 939 +LHG C28 H282 sing N N 940 +LHG C29 C30 sing N N 941 +LHG C29 H291 sing N N 942 +LHG C29 H292 sing N N 943 +LHG C30 C31 sing N N 944 +LHG C30 H301 sing N N 945 +LHG C30 H302 sing N N 946 +LHG C31 C32 sing N N 947 +LHG C31 H311 sing N N 948 +LHG C31 H312 sing N N 949 +LHG C32 C33 sing N N 950 +LHG C32 H321 sing N N 951 +LHG C32 H322 sing N N 952 +LHG C33 C34 sing N N 953 +LHG C33 H331 sing N N 954 +LHG C33 H332 sing N N 955 +LHG C34 C35 sing N N 956 +LHG C34 H341 sing N N 957 +LHG C34 H342 sing N N 958 +LHG C35 C36 sing N N 959 +LHG C35 H351 sing N N 960 +LHG C35 H352 sing N N 961 +LHG C36 C37 sing N N 962 +LHG C36 H361 sing N N 963 +LHG C36 H362 sing N N 964 +LHG C37 C38 sing N N 965 +LHG C37 H371 sing N N 966 +LHG C37 H372 sing N N 967 +LHG C38 H381 sing N N 968 +LHG C38 H382 sing N N 969 +LHG C38 H383 sing N N 970 +LMG C1 O1 sing N N 971 +LMG C1 C2 sing N N 972 +LMG C1 O6 sing N N 973 +LMG C1 HC1 sing N N 974 +LMG O1 C7 sing N N 975 +LMG C2 O2 sing N N 976 +LMG C2 C3 sing N N 977 +LMG C2 HC2 sing N N 978 +LMG O2 HO2 sing N N 979 +LMG C3 O3 sing N N 980 +LMG C3 C4 sing N N 981 +LMG C3 HC3 sing N N 982 +LMG O3 HO3 sing N N 983 +LMG C4 O4 sing N N 984 +LMG C4 C5 sing N N 985 +LMG C4 HC4 sing N N 986 +LMG O4 HO4 sing N N 987 +LMG C5 C6 sing N N 988 +LMG C5 O6 sing N N 989 +LMG C5 HC5 sing N N 990 +LMG O5 C6 sing N N 991 +LMG O5 HO5 sing N N 992 +LMG C6 HC61 sing N N 993 +LMG C6 HC62 sing N N 994 +LMG C7 C8 sing N N 995 +LMG C7 HC71 sing N N 996 +LMG C7 HC72 sing N N 997 +LMG C8 C9 sing N N 998 +LMG C8 O7 sing N N 999 +LMG C8 HC8 sing N N 1000 +LMG C9 O8 sing N N 1001 +LMG C9 HC91 sing N N 1002 +LMG C9 HC92 sing N N 1003 +LMG O7 C10 sing N N 1004 +LMG C10 O9 doub N N 1005 +LMG C10 C11 sing N N 1006 +LMG C11 C12 sing N N 1007 +LMG C11 H111 sing N N 1008 +LMG C11 H112 sing N N 1009 +LMG C12 C13 sing N N 1010 +LMG C12 H121 sing N N 1011 +LMG C12 H122 sing N N 1012 +LMG C13 C14 sing N N 1013 +LMG C13 H131 sing N N 1014 +LMG C13 H132 sing N N 1015 +LMG C14 C15 sing N N 1016 +LMG C14 H141 sing N N 1017 +LMG C14 H142 sing N N 1018 +LMG C15 C16 sing N N 1019 +LMG C15 H151 sing N N 1020 +LMG C15 H152 sing N N 1021 +LMG C16 C17 sing N N 1022 +LMG C16 H161 sing N N 1023 +LMG C16 H162 sing N N 1024 +LMG C17 C18 sing N N 1025 +LMG C17 H171 sing N N 1026 +LMG C17 H172 sing N N 1027 +LMG C18 C19 sing N N 1028 +LMG C18 H181 sing N N 1029 +LMG C18 H182 sing N N 1030 +LMG C19 C20 sing N N 1031 +LMG C19 H191 sing N N 1032 +LMG C19 H192 sing N N 1033 +LMG C20 C21 sing N N 1034 +LMG C20 H201 sing N N 1035 +LMG C20 H202 sing N N 1036 +LMG C21 C22 sing N N 1037 +LMG C21 H211 sing N N 1038 +LMG C21 H212 sing N N 1039 +LMG C22 C23 sing N N 1040 +LMG C22 H221 sing N N 1041 +LMG C22 H222 sing N N 1042 +LMG C23 C24 sing N N 1043 +LMG C23 H231 sing N N 1044 +LMG C23 H232 sing N N 1045 +LMG C24 C25 sing N N 1046 +LMG C24 H241 sing N N 1047 +LMG C24 H242 sing N N 1048 +LMG C25 C26 sing N N 1049 +LMG C25 H251 sing N N 1050 +LMG C25 H252 sing N N 1051 +LMG C26 C27 sing N N 1052 +LMG C26 H261 sing N N 1053 +LMG C26 H262 sing N N 1054 +LMG C27 H271 sing N N 1055 +LMG C27 H272 sing N N 1056 +LMG C27 H273 sing N N 1057 +LMG O8 C28 sing N N 1058 +LMG C28 O10 doub N N 1059 +LMG C28 C29 sing N N 1060 +LMG C29 C30 sing N N 1061 +LMG C29 H291 sing N N 1062 +LMG C29 H292 sing N N 1063 +LMG C30 C31 sing N N 1064 +LMG C30 H301 sing N N 1065 +LMG C30 H302 sing N N 1066 +LMG C31 C32 sing N N 1067 +LMG C31 H311 sing N N 1068 +LMG C31 H312 sing N N 1069 +LMG C32 C33 sing N N 1070 +LMG C32 H321 sing N N 1071 +LMG C32 H322 sing N N 1072 +LMG C33 C34 sing N N 1073 +LMG C33 H331 sing N N 1074 +LMG C33 H332 sing N N 1075 +LMG C34 C35 sing N N 1076 +LMG C34 H341 sing N N 1077 +LMG C34 H342 sing N N 1078 +LMG C35 C36 sing N N 1079 +LMG C35 H351 sing N N 1080 +LMG C35 H352 sing N N 1081 +LMG C36 C37 sing N N 1082 +LMG C36 H361 sing N N 1083 +LMG C36 H362 sing N N 1084 +LMG C37 C38 sing N N 1085 +LMG C37 H371 sing N N 1086 +LMG C37 H372 sing N N 1087 +LMG C38 C39 sing N N 1088 +LMG C38 H381 sing N N 1089 +LMG C38 H382 sing N N 1090 +LMG C39 C40 sing N N 1091 +LMG C39 H391 sing N N 1092 +LMG C39 H392 sing N N 1093 +LMG C40 C41 sing N N 1094 +LMG C40 H401 sing N N 1095 +LMG C40 H402 sing N N 1096 +LMG C41 C42 sing N N 1097 +LMG C41 H411 sing N N 1098 +LMG C41 H412 sing N N 1099 +LMG C42 C43 sing N N 1100 +LMG C42 H421 sing N N 1101 +LMG C42 H422 sing N N 1102 +LMG C43 C44 sing N N 1103 +LMG C43 H431 sing N N 1104 +LMG C43 H432 sing N N 1105 +LMG C44 C45 sing N N 1106 +LMG C44 H441 sing N N 1107 +LMG C44 H442 sing N N 1108 +LMG C45 H451 sing N N 1109 +LMG C45 H452 sing N N 1110 +LMG C45 H453 sing N N 1111 +LMT C1B C2B sing N N 1112 +LMT C1B O1B sing N N 1113 +LMT C1B O5B sing N N 1114 +LMT C1B H1B sing N N 1115 +LMT C2B C3B sing N N 1116 +LMT C2B O2B sing N N 1117 +LMT C2B H2B sing N N 1118 +LMT C3B C4B sing N N 1119 +LMT C3B O3B sing N N 1120 +LMT C3B H3B sing N N 1121 +LMT C4B C5B sing N N 1122 +LMT C4B "O4'" sing N N 1123 +LMT C4B H4B sing N N 1124 +LMT C5B C6B sing N N 1125 +LMT C5B O5B sing N N 1126 +LMT C5B H5B sing N N 1127 +LMT C6B O6B sing N N 1128 +LMT C6B "H6'2" sing N N 1129 +LMT C6B "H6'1" sing N N 1130 +LMT O1B "C4'" sing N N 1131 +LMT O2B H2O1 sing N N 1132 +LMT O3B H3O1 sing N N 1133 +LMT "O4'" H4O1 sing N N 1134 +LMT O6B H6B sing N N 1135 +LMT "C1'" "C2'" sing N N 1136 +LMT "C1'" "O1'" sing N N 1137 +LMT "C1'" "O5'" sing N N 1138 +LMT "C1'" "H1'" sing N N 1139 +LMT "C2'" "C3'" sing N N 1140 +LMT "C2'" "O2'" sing N N 1141 +LMT "C2'" "H2'" sing N N 1142 +LMT "C3'" "C4'" sing N N 1143 +LMT "C3'" "O3'" sing N N 1144 +LMT "C3'" "H3'" sing N N 1145 +LMT "C4'" "C5'" sing N N 1146 +LMT "C4'" "H4'" sing N N 1147 +LMT "C5'" "C6'" sing N N 1148 +LMT "C5'" "O5'" sing N N 1149 +LMT "C5'" "H5'" sing N N 1150 +LMT "C6'" "O6'" sing N N 1151 +LMT "C6'" H6D sing N N 1152 +LMT "C6'" H6E sing N N 1153 +LMT "O1'" C1 sing N N 1154 +LMT "O2'" H2O2 sing N N 1155 +LMT "O3'" H3O2 sing N N 1156 +LMT "O6'" "H6'" sing N N 1157 +LMT C1 C2 sing N N 1158 +LMT C1 H12 sing N N 1159 +LMT C1 H11 sing N N 1160 +LMT C2 C3 sing N N 1161 +LMT C2 H22 sing N N 1162 +LMT C2 H21 sing N N 1163 +LMT C3 C4 sing N N 1164 +LMT C3 H32 sing N N 1165 +LMT C3 H31 sing N N 1166 +LMT C4 C5 sing N N 1167 +LMT C4 H42 sing N N 1168 +LMT C4 H41 sing N N 1169 +LMT C5 C6 sing N N 1170 +LMT C5 H52 sing N N 1171 +LMT C5 H51 sing N N 1172 +LMT C6 C7 sing N N 1173 +LMT C6 H62 sing N N 1174 +LMT C6 H61 sing N N 1175 +LMT C7 C8 sing N N 1176 +LMT C7 H72 sing N N 1177 +LMT C7 H71 sing N N 1178 +LMT C8 C9 sing N N 1179 +LMT C8 H82 sing N N 1180 +LMT C8 H81 sing N N 1181 +LMT C9 C10 sing N N 1182 +LMT C9 H92 sing N N 1183 +LMT C9 H91 sing N N 1184 +LMT C10 C11 sing N N 1185 +LMT C10 H102 sing N N 1186 +LMT C10 H101 sing N N 1187 +LMT C11 C12 sing N N 1188 +LMT C11 H112 sing N N 1189 +LMT C11 H111 sing N N 1190 +LMT C12 H123 sing N N 1191 +LMT C12 H122 sing N N 1192 +LMT C12 H121 sing N N 1193 +LYS N CA sing N N 1194 +LYS N H sing N N 1195 +LYS N H2 sing N N 1196 +LYS CA C sing N N 1197 +LYS CA CB sing N N 1198 +LYS CA HA sing N N 1199 +LYS C O doub N N 1200 +LYS C OXT sing N N 1201 +LYS CB CG sing N N 1202 +LYS CB HB2 sing N N 1203 +LYS CB HB3 sing N N 1204 +LYS CG CD sing N N 1205 +LYS CG HG2 sing N N 1206 +LYS CG HG3 sing N N 1207 +LYS CD CE sing N N 1208 +LYS CD HD2 sing N N 1209 +LYS CD HD3 sing N N 1210 +LYS CE NZ sing N N 1211 +LYS CE HE2 sing N N 1212 +LYS CE HE3 sing N N 1213 +LYS NZ HZ1 sing N N 1214 +LYS NZ HZ2 sing N N 1215 +LYS NZ HZ3 sing N N 1216 +LYS OXT HXT sing N N 1217 +MET N CA sing N N 1218 +MET N H sing N N 1219 +MET N H2 sing N N 1220 +MET CA C sing N N 1221 +MET CA CB sing N N 1222 +MET CA HA sing N N 1223 +MET C O doub N N 1224 +MET C OXT sing N N 1225 +MET CB CG sing N N 1226 +MET CB HB2 sing N N 1227 +MET CB HB3 sing N N 1228 +MET CG SD sing N N 1229 +MET CG HG2 sing N N 1230 +MET CG HG3 sing N N 1231 +MET SD CE sing N N 1232 +MET CE HE1 sing N N 1233 +MET CE HE2 sing N N 1234 +MET CE HE3 sing N N 1235 +MET OXT HXT sing N N 1236 +OEX O1 CA1 sing N N 1237 +OEX O1 MN1 sing N N 1238 +OEX O1 MN2 sing N N 1239 +OEX CA1 O2 sing N N 1240 +OEX CA1 O5 sing N N 1241 +OEX MN1 O5 sing N N 1242 +OEX MN1 O3 sing N N 1243 +OEX O2 MN2 sing N N 1244 +OEX O2 MN3 sing N N 1245 +OEX MN2 O3 sing N N 1246 +OEX MN4 O5 sing N N 1247 +OEX O3 MN3 sing N N 1248 +OEX MN3 O4 sing N N 1249 +OEX O4 MN4 sing N N 1250 +OEX MN3 O5 sing N N 1251 +PHE N CA sing N N 1252 +PHE N H sing N N 1253 +PHE N H2 sing N N 1254 +PHE CA C sing N N 1255 +PHE CA CB sing N N 1256 +PHE CA HA sing N N 1257 +PHE C O doub N N 1258 +PHE C OXT sing N N 1259 +PHE CB CG sing N N 1260 +PHE CB HB2 sing N N 1261 +PHE CB HB3 sing N N 1262 +PHE CG CD1 doub Y N 1263 +PHE CG CD2 sing Y N 1264 +PHE CD1 CE1 sing Y N 1265 +PHE CD1 HD1 sing N N 1266 +PHE CD2 CE2 doub Y N 1267 +PHE CD2 HD2 sing N N 1268 +PHE CE1 CZ doub Y N 1269 +PHE CE1 HE1 sing N N 1270 +PHE CE2 CZ sing Y N 1271 +PHE CE2 HE2 sing N N 1272 +PHE CZ HZ sing N N 1273 +PHE OXT HXT sing N N 1274 +PHO HNB NB sing N N 1275 +PHO HND ND sing N N 1276 +PHO CHA C1A sing Y N 1277 +PHO CHA C4D doub Y N 1278 +PHO CHA CBD sing N N 1279 +PHO CHB C4A doub Y N 1280 +PHO CHB C1B sing Y N 1281 +PHO CHB HHB sing N N 1282 +PHO CHC C4B sing Y N 1283 +PHO CHC C1C doub Y N 1284 +PHO CHC HHC sing N N 1285 +PHO CHD C4C sing Y N 1286 +PHO CHD C1D doub Y N 1287 +PHO CHD HHD sing N N 1288 +PHO NA C1A doub Y N 1289 +PHO NA C4A sing Y N 1290 +PHO C1A C2A sing N N 1291 +PHO C2A C3A sing N N 1292 +PHO C2A CAA sing N N 1293 +PHO C2A H2A sing N N 1294 +PHO C3A C4A sing N N 1295 +PHO C3A CMA sing N N 1296 +PHO C3A H3A sing N N 1297 +PHO CMA HMA1 sing N N 1298 +PHO CMA HMA2 sing N N 1299 +PHO CMA HMA3 sing N N 1300 +PHO CAA CBA sing N N 1301 +PHO CAA HAA1 sing N N 1302 +PHO CAA HAA2 sing N N 1303 +PHO CBA CGA sing N N 1304 +PHO CBA HBA1 sing N N 1305 +PHO CBA HBA2 sing N N 1306 +PHO CGA O1A doub N N 1307 +PHO CGA O2A sing N N 1308 +PHO O2A C1 sing N N 1309 +PHO NB C1B sing Y N 1310 +PHO NB C4B sing Y N 1311 +PHO C1B C2B doub Y N 1312 +PHO C2B C3B sing Y N 1313 +PHO C2B CMB sing N N 1314 +PHO C3B C4B doub Y N 1315 +PHO C3B CAB sing N N 1316 +PHO CMB HMB1 sing N N 1317 +PHO CMB HMB2 sing N N 1318 +PHO CMB HMB3 sing N N 1319 +PHO CAB CBB doub N N 1320 +PHO CAB HAB sing N N 1321 +PHO CBB HBB1 sing N N 1322 +PHO CBB HBB2 sing N N 1323 +PHO NC C1C sing Y N 1324 +PHO NC C4C doub Y N 1325 +PHO C1C C2C sing Y N 1326 +PHO C2C C3C doub Y N 1327 +PHO C2C CMC sing N N 1328 +PHO C3C C4C sing Y N 1329 +PHO C3C CAC sing N N 1330 +PHO CMC HMC1 sing N N 1331 +PHO CMC HMC2 sing N N 1332 +PHO CMC HMC3 sing N N 1333 +PHO CAC CBC sing N N 1334 +PHO CAC HAC1 sing N N 1335 +PHO CAC HAC2 sing N N 1336 +PHO CBC HBC1 sing N N 1337 +PHO CBC HBC2 sing N N 1338 +PHO CBC HBC3 sing N N 1339 +PHO ND C1D sing Y N 1340 +PHO ND C4D sing Y N 1341 +PHO C1D C2D sing Y N 1342 +PHO C2D C3D doub Y N 1343 +PHO C2D CMD sing N N 1344 +PHO C3D C4D sing Y N 1345 +PHO C3D CAD sing N N 1346 +PHO CMD HMD1 sing N N 1347 +PHO CMD HMD2 sing N N 1348 +PHO CMD HMD3 sing N N 1349 +PHO CAD OBD doub N N 1350 +PHO CAD CBD sing N N 1351 +PHO CBD CGD sing N N 1352 +PHO CBD HBD sing N N 1353 +PHO CGD O1D doub N N 1354 +PHO CGD O2D sing N N 1355 +PHO O2D CED sing N N 1356 +PHO CED HED1 sing N N 1357 +PHO CED HED2 sing N N 1358 +PHO CED HED3 sing N N 1359 +PHO C1 C2 sing N N 1360 +PHO C1 H11 sing N N 1361 +PHO C1 H12 sing N N 1362 +PHO C2 C3 doub N E 1363 +PHO C2 H2 sing N N 1364 +PHO C3 C4 sing N N 1365 +PHO C3 C5 sing N N 1366 +PHO C4 H41 sing N N 1367 +PHO C4 H42 sing N N 1368 +PHO C4 H43 sing N N 1369 +PHO C5 C6 sing N N 1370 +PHO C5 H51 sing N N 1371 +PHO C5 H52 sing N N 1372 +PHO C6 C7 sing N N 1373 +PHO C6 H61 sing N N 1374 +PHO C6 H62 sing N N 1375 +PHO C7 C8 sing N N 1376 +PHO C7 H71 sing N N 1377 +PHO C7 H72 sing N N 1378 +PHO C8 C9 sing N N 1379 +PHO C8 C10 sing N N 1380 +PHO C8 H8 sing N N 1381 +PHO C9 H91 sing N N 1382 +PHO C9 H92 sing N N 1383 +PHO C9 H93 sing N N 1384 +PHO C10 C11 sing N N 1385 +PHO C10 H101 sing N N 1386 +PHO C10 H102 sing N N 1387 +PHO C11 C12 sing N N 1388 +PHO C11 H111 sing N N 1389 +PHO C11 H112 sing N N 1390 +PHO C12 C13 sing N N 1391 +PHO C12 H121 sing N N 1392 +PHO C12 H122 sing N N 1393 +PHO C13 C14 sing N N 1394 +PHO C13 C15 sing N N 1395 +PHO C13 H13 sing N N 1396 +PHO C14 H141 sing N N 1397 +PHO C14 H142 sing N N 1398 +PHO C14 H143 sing N N 1399 +PHO C15 C16 sing N N 1400 +PHO C15 H151 sing N N 1401 +PHO C15 H152 sing N N 1402 +PHO C16 C17 sing N N 1403 +PHO C16 H161 sing N N 1404 +PHO C16 H162 sing N N 1405 +PHO C17 C18 sing N N 1406 +PHO C17 H171 sing N N 1407 +PHO C17 H172 sing N N 1408 +PHO C18 C19 sing N N 1409 +PHO C18 C20 sing N N 1410 +PHO C18 H18 sing N N 1411 +PHO C19 H191 sing N N 1412 +PHO C19 H192 sing N N 1413 +PHO C19 H193 sing N N 1414 +PHO C20 H201 sing N N 1415 +PHO C20 H202 sing N N 1416 +PHO C20 H203 sing N N 1417 +PL9 C2 C3 doub N N 1418 +PL9 C2 C1 sing N N 1419 +PL9 C2 HC2 sing N N 1420 +PL9 C3 C4 sing N N 1421 +PL9 C3 C7 sing N N 1422 +PL9 C4 C5 sing N N 1423 +PL9 C4 O1 doub N N 1424 +PL9 C5 C6 doub N N 1425 +PL9 C5 C52 sing N N 1426 +PL9 C6 C1 sing N N 1427 +PL9 C6 C53 sing N N 1428 +PL9 C1 O2 doub N N 1429 +PL9 C7 C8 sing N N 1430 +PL9 C7 HC71 sing N N 1431 +PL9 C7 HC72 sing N N 1432 +PL9 C8 C9 doub N N 1433 +PL9 C8 HC8 sing N N 1434 +PL9 C9 C10 sing N N 1435 +PL9 C9 C11 sing N N 1436 +PL9 C10 H101 sing N N 1437 +PL9 C10 H102 sing N N 1438 +PL9 C10 H103 sing N N 1439 +PL9 C11 C12 sing N N 1440 +PL9 C11 H111 sing N N 1441 +PL9 C11 H112 sing N N 1442 +PL9 C12 C13 sing N N 1443 +PL9 C12 H121 sing N N 1444 +PL9 C12 H122 sing N N 1445 +PL9 C13 C14 doub N N 1446 +PL9 C13 H13 sing N N 1447 +PL9 C14 C15 sing N N 1448 +PL9 C14 C16 sing N N 1449 +PL9 C15 H151 sing N N 1450 +PL9 C15 H152 sing N N 1451 +PL9 C15 H153 sing N N 1452 +PL9 C16 C17 sing N N 1453 +PL9 C16 H161 sing N N 1454 +PL9 C16 H162 sing N N 1455 +PL9 C17 C18 sing N N 1456 +PL9 C17 H171 sing N N 1457 +PL9 C17 H172 sing N N 1458 +PL9 C18 C19 doub N N 1459 +PL9 C18 H18 sing N N 1460 +PL9 C19 C20 sing N N 1461 +PL9 C19 C21 sing N N 1462 +PL9 C20 H201 sing N N 1463 +PL9 C20 H202 sing N N 1464 +PL9 C20 H203 sing N N 1465 +PL9 C21 C22 sing N N 1466 +PL9 C21 H211 sing N N 1467 +PL9 C21 H212 sing N N 1468 +PL9 C22 C23 sing N N 1469 +PL9 C22 H221 sing N N 1470 +PL9 C22 H222 sing N N 1471 +PL9 C23 C24 doub N N 1472 +PL9 C23 H23 sing N N 1473 +PL9 C24 C25 sing N N 1474 +PL9 C24 C26 sing N N 1475 +PL9 C25 H251 sing N N 1476 +PL9 C25 H252 sing N N 1477 +PL9 C25 H253 sing N N 1478 +PL9 C26 C27 sing N N 1479 +PL9 C26 H261 sing N N 1480 +PL9 C26 H262 sing N N 1481 +PL9 C27 C28 sing N N 1482 +PL9 C27 H271 sing N N 1483 +PL9 C27 H272 sing N N 1484 +PL9 C28 C29 doub N N 1485 +PL9 C28 H28 sing N N 1486 +PL9 C29 C30 sing N N 1487 +PL9 C29 C31 sing N N 1488 +PL9 C30 H301 sing N N 1489 +PL9 C30 H302 sing N N 1490 +PL9 C30 H303 sing N N 1491 +PL9 C31 C32 sing N N 1492 +PL9 C31 H311 sing N N 1493 +PL9 C31 H312 sing N N 1494 +PL9 C32 C33 sing N N 1495 +PL9 C32 H321 sing N N 1496 +PL9 C32 H322 sing N N 1497 +PL9 C33 C34 doub N N 1498 +PL9 C33 H33 sing N N 1499 +PL9 C34 C35 sing N N 1500 +PL9 C34 C36 sing N N 1501 +PL9 C35 H351 sing N N 1502 +PL9 C35 H352 sing N N 1503 +PL9 C35 H353 sing N N 1504 +PL9 C36 C37 sing N N 1505 +PL9 C36 H361 sing N N 1506 +PL9 C36 H362 sing N N 1507 +PL9 C37 C38 sing N N 1508 +PL9 C37 H371 sing N N 1509 +PL9 C37 H372 sing N N 1510 +PL9 C38 C39 doub N N 1511 +PL9 C38 H38 sing N N 1512 +PL9 C39 C40 sing N N 1513 +PL9 C39 C41 sing N N 1514 +PL9 C40 H401 sing N N 1515 +PL9 C40 H402 sing N N 1516 +PL9 C40 H403 sing N N 1517 +PL9 C41 C42 sing N N 1518 +PL9 C41 H411 sing N N 1519 +PL9 C41 H412 sing N N 1520 +PL9 C42 C43 sing N N 1521 +PL9 C42 H421 sing N N 1522 +PL9 C42 H422 sing N N 1523 +PL9 C43 C44 doub N N 1524 +PL9 C43 H43 sing N N 1525 +PL9 C44 C45 sing N N 1526 +PL9 C44 C46 sing N N 1527 +PL9 C45 H451 sing N N 1528 +PL9 C45 H452 sing N N 1529 +PL9 C45 H453 sing N N 1530 +PL9 C46 C47 sing N N 1531 +PL9 C46 H461 sing N N 1532 +PL9 C46 H462 sing N N 1533 +PL9 C47 C48 sing N N 1534 +PL9 C47 H471 sing N N 1535 +PL9 C47 H472 sing N N 1536 +PL9 C48 C49 doub N N 1537 +PL9 C48 H48 sing N N 1538 +PL9 C49 C50 sing N N 1539 +PL9 C49 C51 sing N N 1540 +PL9 C50 H501 sing N N 1541 +PL9 C50 H502 sing N N 1542 +PL9 C50 H503 sing N N 1543 +PL9 C51 H511 sing N N 1544 +PL9 C51 H512 sing N N 1545 +PL9 C51 H513 sing N N 1546 +PL9 C52 H521 sing N N 1547 +PL9 C52 H522 sing N N 1548 +PL9 C52 H523 sing N N 1549 +PL9 C53 H531 sing N N 1550 +PL9 C53 H532 sing N N 1551 +PL9 C53 H533 sing N N 1552 +PRO N CA sing N N 1553 +PRO N CD sing N N 1554 +PRO N H sing N N 1555 +PRO CA C sing N N 1556 +PRO CA CB sing N N 1557 +PRO CA HA sing N N 1558 +PRO C O doub N N 1559 +PRO C OXT sing N N 1560 +PRO CB CG sing N N 1561 +PRO CB HB2 sing N N 1562 +PRO CB HB3 sing N N 1563 +PRO CG CD sing N N 1564 +PRO CG HG2 sing N N 1565 +PRO CG HG3 sing N N 1566 +PRO CD HD2 sing N N 1567 +PRO CD HD3 sing N N 1568 +PRO OXT HXT sing N N 1569 +SER N CA sing N N 1570 +SER N H sing N N 1571 +SER N H2 sing N N 1572 +SER CA C sing N N 1573 +SER CA CB sing N N 1574 +SER CA HA sing N N 1575 +SER C O doub N N 1576 +SER C OXT sing N N 1577 +SER CB OG sing N N 1578 +SER CB HB2 sing N N 1579 +SER CB HB3 sing N N 1580 +SER OG HG sing N N 1581 +SER OXT HXT sing N N 1582 +SQD O6 C44 sing N N 1583 +SQD O6 C1 sing N N 1584 +SQD C44 C45 sing N N 1585 +SQD C44 H441 sing N N 1586 +SQD C44 H442 sing N N 1587 +SQD C45 C46 sing N N 1588 +SQD C45 O47 sing N N 1589 +SQD C45 H45 sing N N 1590 +SQD C46 O48 sing N N 1591 +SQD C46 H461 sing N N 1592 +SQD C46 H462 sing N N 1593 +SQD O47 C7 sing N N 1594 +SQD C7 O49 doub N N 1595 +SQD C7 C8 sing N N 1596 +SQD C8 C9 sing N N 1597 +SQD C8 H81 sing N N 1598 +SQD C8 H82 sing N N 1599 +SQD C9 C10 sing N N 1600 +SQD C9 H91 sing N N 1601 +SQD C9 H92 sing N N 1602 +SQD C10 C11 sing N N 1603 +SQD C10 H101 sing N N 1604 +SQD C10 H102 sing N N 1605 +SQD C11 C12 sing N N 1606 +SQD C11 H111 sing N N 1607 +SQD C11 H112 sing N N 1608 +SQD C12 C13 sing N N 1609 +SQD C12 H121 sing N N 1610 +SQD C12 H122 sing N N 1611 +SQD C13 C14 sing N N 1612 +SQD C13 H131 sing N N 1613 +SQD C13 H132 sing N N 1614 +SQD C14 C15 sing N N 1615 +SQD C14 H141 sing N N 1616 +SQD C14 H142 sing N N 1617 +SQD C15 C16 sing N N 1618 +SQD C15 H151 sing N N 1619 +SQD C15 H152 sing N N 1620 +SQD C16 C17 sing N N 1621 +SQD C16 H161 sing N N 1622 +SQD C16 H162 sing N N 1623 +SQD C17 C18 sing N N 1624 +SQD C17 H171 sing N N 1625 +SQD C17 H172 sing N N 1626 +SQD C18 C19 sing N N 1627 +SQD C18 H181 sing N N 1628 +SQD C18 H182 sing N N 1629 +SQD C19 C20 sing N N 1630 +SQD C19 H191 sing N N 1631 +SQD C19 H192 sing N N 1632 +SQD C20 C21 sing N N 1633 +SQD C20 H201 sing N N 1634 +SQD C20 H202 sing N N 1635 +SQD C21 C22 sing N N 1636 +SQD C21 H211 sing N N 1637 +SQD C21 H212 sing N N 1638 +SQD C22 H221 sing N N 1639 +SQD C22 H222 sing N N 1640 +SQD C22 H223 sing N N 1641 +SQD O48 C23 sing N N 1642 +SQD C23 O10 doub N N 1643 +SQD C23 C24 sing N N 1644 +SQD C24 C25 sing N N 1645 +SQD C24 H241 sing N N 1646 +SQD C24 H242 sing N N 1647 +SQD C25 C26 sing N N 1648 +SQD C25 H251 sing N N 1649 +SQD C25 H252 sing N N 1650 +SQD C26 C27 sing N N 1651 +SQD C26 H261 sing N N 1652 +SQD C26 H262 sing N N 1653 +SQD C27 C28 sing N N 1654 +SQD C27 H271 sing N N 1655 +SQD C27 H272 sing N N 1656 +SQD C28 C29 sing N N 1657 +SQD C28 H281 sing N N 1658 +SQD C28 H282 sing N N 1659 +SQD C29 C30 sing N N 1660 +SQD C29 H291 sing N N 1661 +SQD C29 H292 sing N N 1662 +SQD C30 C31 sing N N 1663 +SQD C30 H301 sing N N 1664 +SQD C30 H302 sing N N 1665 +SQD C31 C32 sing N N 1666 +SQD C31 H311 sing N N 1667 +SQD C31 H312 sing N N 1668 +SQD C32 C33 sing N N 1669 +SQD C32 H321 sing N N 1670 +SQD C32 H322 sing N N 1671 +SQD C33 C34 sing N N 1672 +SQD C33 H331 sing N N 1673 +SQD C33 H332 sing N N 1674 +SQD C34 C35 sing N N 1675 +SQD C34 H341 sing N N 1676 +SQD C34 H342 sing N N 1677 +SQD C35 C36 sing N N 1678 +SQD C35 H351 sing N N 1679 +SQD C35 H352 sing N N 1680 +SQD C36 C37 sing N N 1681 +SQD C36 H361 sing N N 1682 +SQD C36 H362 sing N N 1683 +SQD C37 C38 sing N N 1684 +SQD C37 H371 sing N N 1685 +SQD C37 H372 sing N N 1686 +SQD C38 H381 sing N N 1687 +SQD C38 H382 sing N N 1688 +SQD C38 H383 sing N N 1689 +SQD C1 C2 sing N N 1690 +SQD C1 O5 sing N N 1691 +SQD C1 H1 sing N N 1692 +SQD C2 O2 sing N N 1693 +SQD C2 C3 sing N N 1694 +SQD C2 H2 sing N N 1695 +SQD O2 HO2 sing N N 1696 +SQD C3 O3 sing N N 1697 +SQD C3 C4 sing N N 1698 +SQD C3 H3 sing N N 1699 +SQD O3 HO3 sing N N 1700 +SQD C4 O4 sing N N 1701 +SQD C4 C5 sing N N 1702 +SQD C4 H4 sing N N 1703 +SQD O4 HO4 sing N N 1704 +SQD C5 C6 sing N N 1705 +SQD C5 O5 sing N N 1706 +SQD C5 H5 sing N N 1707 +SQD C6 S sing N N 1708 +SQD C6 H61 sing N N 1709 +SQD C6 H62 sing N N 1710 +SQD S O7 doub N N 1711 +SQD S O8 sing N N 1712 +SQD S O9 doub N N 1713 +SQD O8 HO8 sing N N 1714 +THR N CA sing N N 1715 +THR N H sing N N 1716 +THR N H2 sing N N 1717 +THR CA C sing N N 1718 +THR CA CB sing N N 1719 +THR CA HA sing N N 1720 +THR C O doub N N 1721 +THR C OXT sing N N 1722 +THR CB OG1 sing N N 1723 +THR CB CG2 sing N N 1724 +THR CB HB sing N N 1725 +THR OG1 HG1 sing N N 1726 +THR CG2 HG21 sing N N 1727 +THR CG2 HG22 sing N N 1728 +THR CG2 HG23 sing N N 1729 +THR OXT HXT sing N N 1730 +TRP N CA sing N N 1731 +TRP N H sing N N 1732 +TRP N H2 sing N N 1733 +TRP CA C sing N N 1734 +TRP CA CB sing N N 1735 +TRP CA HA sing N N 1736 +TRP C O doub N N 1737 +TRP C OXT sing N N 1738 +TRP CB CG sing N N 1739 +TRP CB HB2 sing N N 1740 +TRP CB HB3 sing N N 1741 +TRP CG CD1 doub Y N 1742 +TRP CG CD2 sing Y N 1743 +TRP CD1 NE1 sing Y N 1744 +TRP CD1 HD1 sing N N 1745 +TRP CD2 CE2 doub Y N 1746 +TRP CD2 CE3 sing Y N 1747 +TRP NE1 CE2 sing Y N 1748 +TRP NE1 HE1 sing N N 1749 +TRP CE2 CZ2 sing Y N 1750 +TRP CE3 CZ3 doub Y N 1751 +TRP CE3 HE3 sing N N 1752 +TRP CZ2 CH2 doub Y N 1753 +TRP CZ2 HZ2 sing N N 1754 +TRP CZ3 CH2 sing Y N 1755 +TRP CZ3 HZ3 sing N N 1756 +TRP CH2 HH2 sing N N 1757 +TRP OXT HXT sing N N 1758 +TYR N CA sing N N 1759 +TYR N H sing N N 1760 +TYR N H2 sing N N 1761 +TYR CA C sing N N 1762 +TYR CA CB sing N N 1763 +TYR CA HA sing N N 1764 +TYR C O doub N N 1765 +TYR C OXT sing N N 1766 +TYR CB CG sing N N 1767 +TYR CB HB2 sing N N 1768 +TYR CB HB3 sing N N 1769 +TYR CG CD1 doub Y N 1770 +TYR CG CD2 sing Y N 1771 +TYR CD1 CE1 sing Y N 1772 +TYR CD1 HD1 sing N N 1773 +TYR CD2 CE2 doub Y N 1774 +TYR CD2 HD2 sing N N 1775 +TYR CE1 CZ doub Y N 1776 +TYR CE1 HE1 sing N N 1777 +TYR CE2 CZ sing Y N 1778 +TYR CE2 HE2 sing N N 1779 +TYR CZ OH sing N N 1780 +TYR OH HH sing N N 1781 +TYR OXT HXT sing N N 1782 +VAL N CA sing N N 1783 +VAL N H sing N N 1784 +VAL N H2 sing N N 1785 +VAL CA C sing N N 1786 +VAL CA CB sing N N 1787 +VAL CA HA sing N N 1788 +VAL C O doub N N 1789 +VAL C OXT sing N N 1790 +VAL CB CG1 sing N N 1791 +VAL CB CG2 sing N N 1792 +VAL CB HB sing N N 1793 +VAL CG1 HG11 sing N N 1794 +VAL CG1 HG12 sing N N 1795 +VAL CG1 HG13 sing N N 1796 +VAL CG2 HG21 sing N N 1797 +VAL CG2 HG22 sing N N 1798 +VAL CG2 HG23 sing N N 1799 +VAL OXT HXT sing N N 1800 +# +_pdbx_audit_support.funding_organization 'Japan Society for the Promotion of Science (JSPS)' +_pdbx_audit_support.country Japan +_pdbx_audit_support.grant_number 'JP17H06434, JP22H04916' +_pdbx_audit_support.ordinal 1 +# +loop_ +_pdbx_entity_instance_feature.ordinal +_pdbx_entity_instance_feature.comp_id +_pdbx_entity_instance_feature.asym_id +_pdbx_entity_instance_feature.seq_num +_pdbx_entity_instance_feature.auth_comp_id +_pdbx_entity_instance_feature.auth_asym_id +_pdbx_entity_instance_feature.auth_seq_num +_pdbx_entity_instance_feature.feature_type +_pdbx_entity_instance_feature.details +1 BCT ? ? BCT ? ? 'SUBJECT OF INVESTIGATION' ? +2 CL ? ? CL ? ? 'SUBJECT OF INVESTIGATION' ? +3 CLA ? ? CLA ? ? 'SUBJECT OF INVESTIGATION' ? +4 FE2 ? ? FE2 ? ? 'SUBJECT OF INVESTIGATION' ? +5 OEX ? ? OEX ? ? 'SUBJECT OF INVESTIGATION' ? +6 PL9 ? ? PL9 ? ? 'SUBJECT OF INVESTIGATION' ? +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'experimental model' +_pdbx_initial_refinement_model.source_name PDB +_pdbx_initial_refinement_model.accession_code 5ws5 +_pdbx_initial_refinement_model.details ? +# +_atom_sites.entry_id 8IRA +_atom_sites.Cartn_transf_matrix[1][1] ? +_atom_sites.Cartn_transf_matrix[1][2] ? +_atom_sites.Cartn_transf_matrix[1][3] ? +_atom_sites.Cartn_transf_matrix[2][1] ? +_atom_sites.Cartn_transf_matrix[2][2] ? +_atom_sites.Cartn_transf_matrix[2][3] ? +_atom_sites.Cartn_transf_matrix[3][1] ? +_atom_sites.Cartn_transf_matrix[3][2] ? +_atom_sites.Cartn_transf_matrix[3][3] ? +_atom_sites.Cartn_transf_vector[1] ? +_atom_sites.Cartn_transf_vector[2] ? +_atom_sites.Cartn_transf_vector[3] ? +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.007952 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.004318 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.003469 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +_atom_sites.solution_primary ? +_atom_sites.solution_secondary ? +_atom_sites.solution_hydrogens ? +_atom_sites.special_details ? +# +loop_ +_atom_type.symbol +C +CA +CL +FE +MG +MN +N +O +P +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ALA A 1 11 ? 68.123 -46.002 -17.467 1.00 126.55 ? 11 ALA A N 1 +ATOM 2 C CA . ALA A 1 11 ? 66.927 -45.233 -17.798 1.00 122.95 ? 11 ALA A CA 1 +ATOM 3 C C . ALA A 1 11 ? 67.251 -43.987 -18.630 1.00 134.29 ? 11 ALA A C 1 +ATOM 4 O O . ALA A 1 11 ? 67.210 -42.866 -18.114 1.00 119.03 ? 11 ALA A O 1 +ATOM 5 C CB . ALA A 1 11 ? 66.196 -44.835 -16.528 1.00 127.22 ? 11 ALA A CB 1 +ATOM 6 N N . ASN A 1 12 ? 67.560 -44.180 -19.915 1.00 113.21 ? 12 ASN A N 1 +ATOM 7 C CA . ASN A 1 12 ? 67.853 -43.048 -20.782 1.00 107.43 ? 12 ASN A CA 1 +ATOM 8 C C . ASN A 1 12 ? 66.560 -42.376 -21.242 1.00 98.44 ? 12 ASN A C 1 +ATOM 9 O O . ASN A 1 12 ? 65.452 -42.878 -21.031 1.00 82.60 ? 12 ASN A O 1 +ATOM 10 C CB . ASN A 1 12 ? 68.685 -43.478 -21.988 1.00 107.88 ? 12 ASN A CB 1 +ATOM 11 C CG . ASN A 1 12 ? 67.840 -44.058 -23.102 1.00 106.32 ? 12 ASN A CG 1 +ATOM 12 O OD1 . ASN A 1 12 ? 66.960 -44.882 -22.859 1.00 105.29 ? 12 ASN A OD1 1 +ATOM 13 N ND2 . ASN A 1 12 ? 68.096 -43.618 -24.334 1.00 106.13 ? 12 ASN A ND2 1 +ATOM 14 N N . LEU A 1 13 ? 66.716 -41.226 -21.900 1.00 76.33 ? 13 LEU A N 1 +ATOM 15 C CA . LEU A 1 13 ? 65.558 -40.387 -22.189 1.00 85.84 ? 13 LEU A CA 1 +ATOM 16 C C . LEU A 1 13 ? 64.615 -41.018 -23.217 1.00 81.44 ? 13 LEU A C 1 +ATOM 17 O O . LEU A 1 13 ? 63.403 -40.779 -23.172 1.00 75.27 ? 13 LEU A O 1 +ATOM 18 C CB . LEU A 1 13 ? 66.018 -39.011 -22.662 1.00 75.45 ? 13 LEU A CB 1 +ATOM 19 C CG . LEU A 1 13 ? 64.858 -38.028 -22.763 1.00 88.93 ? 13 LEU A CG 1 +ATOM 20 C CD1 . LEU A 1 13 ? 64.101 -38.020 -21.448 1.00 86.88 ? 13 LEU A CD1 1 +ATOM 21 C CD2 . LEU A 1 13 ? 65.346 -36.635 -23.120 1.00 116.86 ? 13 LEU A CD2 1 +ATOM 22 N N . TRP A 1 14 ? 65.133 -41.814 -24.153 1.00 75.83 ? 14 TRP A N 1 +ATOM 23 C CA . TRP A 1 14 ? 64.236 -42.438 -25.120 1.00 68.32 ? 14 TRP A CA 1 +ATOM 24 C C . TRP A 1 14 ? 63.392 -43.522 -24.459 1.00 75.15 ? 14 TRP A C 1 +ATOM 25 O O . TRP A 1 14 ? 62.185 -43.612 -24.711 1.00 69.62 ? 14 TRP A O 1 +ATOM 26 C CB . TRP A 1 14 ? 65.028 -42.991 -26.304 1.00 64.34 ? 14 TRP A CB 1 +ATOM 27 C CG . TRP A 1 14 ? 64.201 -43.812 -27.251 1.00 67.65 ? 14 TRP A CG 1 +ATOM 28 C CD1 . TRP A 1 14 ? 64.270 -45.160 -27.435 1.00 62.33 ? 14 TRP A CD1 1 +ATOM 29 C CD2 . TRP A 1 14 ? 63.158 -43.341 -28.116 1.00 56.17 ? 14 TRP A CD2 1 +ATOM 30 N NE1 . TRP A 1 14 ? 63.352 -45.556 -28.370 1.00 68.90 ? 14 TRP A NE1 1 +ATOM 31 C CE2 . TRP A 1 14 ? 62.656 -44.458 -28.806 1.00 64.91 ? 14 TRP A CE2 1 +ATOM 32 C CE3 . TRP A 1 14 ? 62.600 -42.081 -28.371 1.00 63.93 ? 14 TRP A CE3 1 +ATOM 33 C CZ2 . TRP A 1 14 ? 61.620 -44.357 -29.746 1.00 60.53 ? 14 TRP A CZ2 1 +ATOM 34 C CZ3 . TRP A 1 14 ? 61.573 -41.980 -29.302 1.00 58.68 ? 14 TRP A CZ3 1 +ATOM 35 C CH2 . TRP A 1 14 ? 61.093 -43.110 -29.974 1.00 57.98 ? 14 TRP A CH2 1 +ATOM 36 N N . GLU A 1 15 ? 64.001 -44.336 -23.591 1.00 66.90 ? 15 GLU A N 1 +ATOM 37 C CA . GLU A 1 15 ? 63.241 -45.359 -22.878 1.00 72.06 ? 15 GLU A CA 1 +ATOM 38 C C . GLU A 1 15 ? 62.216 -44.741 -21.932 1.00 75.11 ? 15 GLU A C 1 +ATOM 39 O O . GLU A 1 15 ? 61.123 -45.290 -21.748 1.00 70.99 ? 15 GLU A O 1 +ATOM 40 C CB . GLU A 1 15 ? 64.180 -46.275 -22.099 1.00 93.60 ? 15 GLU A CB 1 +ATOM 41 C CG . GLU A 1 15 ? 64.912 -47.304 -22.943 1.00 132.40 ? 15 GLU A CG 1 +ATOM 42 C CD . GLU A 1 15 ? 65.454 -48.452 -22.102 1.00 153.74 ? 15 GLU A CD 1 +ATOM 43 O OE1 . GLU A 1 15 ? 65.606 -48.257 -20.873 1.00 146.47 ? 15 GLU A OE1 1 +ATOM 44 O OE2 . GLU A 1 15 ? 65.716 -49.545 -22.663 1.00 145.72 ? 15 GLU A OE2 1 +ATOM 45 N N . ARG A 1 16 ? 62.564 -43.617 -21.298 1.00 70.94 ? 16 ARG A N 1 +ATOM 46 C CA . ARG A 1 16 ? 61.597 -42.892 -20.480 1.00 77.64 ? 16 ARG A CA 1 +ATOM 47 C C . ARG A 1 16 ? 60.402 -42.457 -21.316 1.00 70.60 ? 16 ARG A C 1 +ATOM 48 O O . ARG A 1 16 ? 59.246 -42.656 -20.920 1.00 62.85 ? 16 ARG A O 1 +ATOM 49 C CB . ARG A 1 16 ? 62.252 -41.669 -19.830 1.00 73.18 ? 16 ARG A CB 1 +ATOM 50 C CG . ARG A 1 16 ? 63.333 -41.976 -18.808 1.00 102.68 ? 16 ARG A CG 1 +ATOM 51 C CD . ARG A 1 16 ? 63.492 -40.806 -17.850 1.00 104.55 ? 16 ARG A CD 1 +ATOM 52 N NE . ARG A 1 16 ? 62.295 -40.650 -17.030 1.00 143.54 ? 16 ARG A NE 1 +ATOM 53 C CZ . ARG A 1 16 ? 61.828 -39.490 -16.584 1.00 150.21 ? 16 ARG A CZ 1 +ATOM 54 N NH1 . ARG A 1 16 ? 62.437 -38.346 -16.859 1.00 120.66 ? 16 ARG A NH1 1 +ATOM 55 N NH2 . ARG A 1 16 ? 60.714 -39.477 -15.854 1.00 154.63 ? 16 ARG A NH2 1 +ATOM 56 N N . PHE A 1 17 ? 60.665 -41.847 -22.475 1.00 60.25 ? 17 PHE A N 1 +ATOM 57 C CA . PHE A 1 17 ? 59.578 -41.429 -23.348 1.00 60.33 ? 17 PHE A CA 1 +ATOM 58 C C . PHE A 1 17 ? 58.736 -42.623 -23.788 1.00 60.49 ? 17 PHE A C 1 +ATOM 59 O O . PHE A 1 17 ? 57.504 -42.543 -23.805 1.00 60.69 ? 17 PHE A O 1 +ATOM 60 C CB . PHE A 1 17 ? 60.136 -40.678 -24.549 1.00 59.90 ? 17 PHE A CB 1 +ATOM 61 C CG . PHE A 1 17 ? 59.079 -40.190 -25.507 1.00 74.72 ? 17 PHE A CG 1 +ATOM 62 C CD1 . PHE A 1 17 ? 58.244 -39.137 -25.161 1.00 65.53 ? 17 PHE A CD1 1 +ATOM 63 C CD2 . PHE A 1 17 ? 58.923 -40.787 -26.754 1.00 56.66 ? 17 PHE A CD2 1 +ATOM 64 C CE1 . PHE A 1 17 ? 57.272 -38.693 -26.035 1.00 65.73 ? 17 PHE A CE1 1 +ATOM 65 C CE2 . PHE A 1 17 ? 57.956 -40.346 -27.631 1.00 66.97 ? 17 PHE A CE2 1 +ATOM 66 C CZ . PHE A 1 17 ? 57.129 -39.293 -27.271 1.00 65.33 ? 17 PHE A CZ 1 +ATOM 67 N N . CYS A 1 18 ? 59.376 -43.753 -24.109 1.00 60.43 ? 18 CYS A N 1 +ATOM 68 C CA . CYS A 1 18 ? 58.621 -44.906 -24.586 1.00 57.25 ? 18 CYS A CA 1 +ATOM 69 C C . CYS A 1 18 ? 57.725 -45.465 -23.486 1.00 73.80 ? 18 CYS A C 1 +ATOM 70 O O . CYS A 1 18 ? 56.584 -45.869 -23.749 1.00 62.15 ? 18 CYS A O 1 +ATOM 71 C CB . CYS A 1 18 ? 59.566 -45.993 -25.115 1.00 54.33 ? 18 CYS A CB 1 +ATOM 72 S SG . CYS A 1 18 ? 60.421 -45.621 -26.672 1.00 64.25 ? 18 CYS A SG 1 +ATOM 73 N N . ASN A 1 19 ? 58.223 -45.490 -22.247 1.00 63.22 ? 19 ASN A N 1 +ATOM 74 C CA . ASN A 1 19 ? 57.422 -45.993 -21.135 1.00 72.41 ? 19 ASN A CA 1 +ATOM 75 C C . ASN A 1 19 ? 56.274 -45.052 -20.785 1.00 62.58 ? 19 ASN A C 1 +ATOM 76 O O . ASN A 1 19 ? 55.229 -45.511 -20.309 1.00 58.40 ? 19 ASN A O 1 +ATOM 77 C CB . ASN A 1 19 ? 58.307 -46.233 -19.908 1.00 69.24 ? 19 ASN A CB 1 +ATOM 78 C CG . ASN A 1 19 ? 59.276 -47.387 -20.109 1.00 94.38 ? 19 ASN A CG 1 +ATOM 79 O OD1 . ASN A 1 19 ? 59.117 -48.201 -21.033 1.00 86.71 ? 19 ASN A OD1 1 +ATOM 80 N ND2 . ASN A 1 19 ? 60.284 -47.467 -19.247 1.00 76.02 ? 19 ASN A ND2 1 +ATOM 81 N N . TRP A 1 20 ? 56.438 -43.745 -21.013 1.00 58.23 ? 20 TRP A N 1 +ATOM 82 C CA . TRP A 1 20 ? 55.307 -42.839 -20.832 1.00 64.54 ? 20 TRP A CA 1 +ATOM 83 C C . TRP A 1 20 ? 54.278 -43.011 -21.947 1.00 63.61 ? 20 TRP A C 1 +ATOM 84 O O . TRP A 1 20 ? 53.072 -43.084 -21.678 1.00 57.26 ? 20 TRP A O 1 +ATOM 85 C CB . TRP A 1 20 ? 55.769 -41.382 -20.758 1.00 49.95 ? 20 TRP A CB 1 +ATOM 86 C CG . TRP A 1 20 ? 54.580 -40.463 -20.679 1.00 69.07 ? 20 TRP A CG 1 +ATOM 87 C CD1 . TRP A 1 20 ? 53.848 -40.176 -19.569 1.00 52.99 ? 20 TRP A CD1 1 +ATOM 88 C CD2 . TRP A 1 20 ? 53.956 -39.751 -21.766 1.00 56.85 ? 20 TRP A CD2 1 +ATOM 89 N NE1 . TRP A 1 20 ? 52.827 -39.314 -19.884 1.00 59.38 ? 20 TRP A NE1 1 +ATOM 90 C CE2 . TRP A 1 20 ? 52.865 -39.046 -21.227 1.00 67.60 ? 20 TRP A CE2 1 +ATOM 91 C CE3 . TRP A 1 20 ? 54.221 -39.640 -23.133 1.00 63.89 ? 20 TRP A CE3 1 +ATOM 92 C CZ2 . TRP A 1 20 ? 52.036 -38.246 -22.007 1.00 58.29 ? 20 TRP A CZ2 1 +ATOM 93 C CZ3 . TRP A 1 20 ? 53.396 -38.845 -23.908 1.00 57.29 ? 20 TRP A CZ3 1 +ATOM 94 C CH2 . TRP A 1 20 ? 52.316 -38.161 -23.341 1.00 64.09 ? 20 TRP A CH2 1 +ATOM 95 N N . VAL A 1 21 ? 54.736 -43.074 -23.203 1.00 52.72 ? 21 VAL A N 1 +ATOM 96 C CA . VAL A 1 21 ? 53.812 -43.222 -24.325 1.00 56.75 ? 21 VAL A CA 1 +ATOM 97 C C . VAL A 1 21 ? 52.934 -44.448 -24.135 1.00 60.27 ? 21 VAL A C 1 +ATOM 98 O O . VAL A 1 21 ? 51.711 -44.378 -24.307 1.00 57.12 ? 21 VAL A O 1 +ATOM 99 C CB . VAL A 1 21 ? 54.570 -43.284 -25.667 1.00 65.28 ? 21 VAL A CB 1 +ATOM 100 C CG1 . VAL A 1 21 ? 53.643 -43.784 -26.785 1.00 55.16 ? 21 VAL A CG1 1 +ATOM 101 C CG2 . VAL A 1 21 ? 55.144 -41.934 -26.036 1.00 55.99 ? 21 VAL A CG2 1 +ATOM 102 N N . THR A 1 22 ? 53.533 -45.580 -23.751 1.00 58.30 ? 22 THR A N 1 +ATOM 103 C CA . THR A 1 22 ? 52.828 -46.852 -23.667 1.00 50.24 ? 22 THR A CA 1 +ATOM 104 C C . THR A 1 22 ? 52.291 -47.149 -22.274 1.00 56.94 ? 22 THR A C 1 +ATOM 105 O O . THR A 1 22 ? 51.838 -48.272 -22.031 1.00 54.59 ? 22 THR A O 1 +ATOM 106 C CB . THR A 1 22 ? 53.736 -48.014 -24.106 1.00 64.25 ? 22 THR A CB 1 +ATOM 107 O OG1 . THR A 1 22 ? 54.876 -48.105 -23.240 1.00 56.66 ? 22 THR A OG1 1 +ATOM 108 C CG2 . THR A 1 22 ? 54.189 -47.857 -25.576 1.00 47.48 ? 22 THR A CG2 1 +ATOM 109 N N . SER A 1 23 ? 52.329 -46.180 -21.363 1.00 53.99 ? 23 SER A N 1 +ATOM 110 C CA . SER A 1 23 ? 51.943 -46.418 -19.977 1.00 54.37 ? 23 SER A CA 1 +ATOM 111 C C . SER A 1 23 ? 50.453 -46.707 -19.854 1.00 62.69 ? 23 SER A C 1 +ATOM 112 O O . SER A 1 23 ? 49.613 -45.985 -20.409 1.00 59.07 ? 23 SER A O 1 +ATOM 113 C CB . SER A 1 23 ? 52.294 -45.205 -19.110 1.00 56.20 ? 23 SER A CB 1 +ATOM 114 O OG . SER A 1 23 ? 51.600 -45.257 -17.874 1.00 58.24 ? 23 SER A OG 1 +ATOM 115 N N . THR A 1 24 ? 50.129 -47.735 -19.079 1.00 56.56 ? 24 THR A N 1 +ATOM 116 C CA . THR A 1 24 ? 48.750 -48.078 -18.784 1.00 52.20 ? 24 THR A CA 1 +ATOM 117 C C . THR A 1 24 ? 48.176 -47.258 -17.647 1.00 52.85 ? 24 THR A C 1 +ATOM 118 O O . THR A 1 24 ? 47.046 -47.525 -17.227 1.00 58.98 ? 24 THR A O 1 +ATOM 119 C CB . THR A 1 24 ? 48.642 -49.561 -18.447 1.00 58.77 ? 24 THR A CB 1 +ATOM 120 O OG1 . THR A 1 24 ? 49.651 -49.891 -17.491 1.00 64.26 ? 24 THR A OG1 1 +ATOM 121 C CG2 . THR A 1 24 ? 48.837 -50.417 -19.695 1.00 57.57 ? 24 THR A CG2 1 +ATOM 122 N N . ASP A 1 25 ? 48.919 -46.276 -17.135 1.00 48.43 ? 25 ASP A N 1 +ATOM 123 C CA . ASP A 1 25 ? 48.440 -45.455 -16.034 1.00 56.62 ? 25 ASP A CA 1 +ATOM 124 C C . ASP A 1 25 ? 47.970 -44.074 -16.460 1.00 54.97 ? 25 ASP A C 1 +ATOM 125 O O . ASP A 1 25 ? 47.393 -43.360 -15.638 1.00 58.49 ? 25 ASP A O 1 +ATOM 126 C CB . ASP A 1 25 ? 49.525 -45.300 -14.955 1.00 65.18 ? 25 ASP A CB 1 +ATOM 127 C CG . ASP A 1 25 ? 49.969 -46.637 -14.360 1.00 73.18 ? 25 ASP A CG 1 +ATOM 128 O OD1 . ASP A 1 25 ? 49.250 -47.664 -14.493 1.00 81.83 ? 25 ASP A OD1 1 +ATOM 129 O OD2 . ASP A 1 25 ? 51.063 -46.655 -13.758 1.00 97.81 ? 25 ASP A OD2 1 +ATOM 130 N N . ASN A 1 26 ? 48.191 -43.675 -17.704 1.00 56.63 ? 26 ASN A N 1 +ATOM 131 C CA . ASN A 1 26 ? 47.653 -42.407 -18.173 1.00 58.04 ? 26 ASN A CA 1 +ATOM 132 C C . ASN A 1 26 ? 46.126 -42.457 -18.203 1.00 61.60 ? 26 ASN A C 1 +ATOM 133 O O . ASN A 1 26 ? 45.530 -43.475 -18.574 1.00 54.06 ? 26 ASN A O 1 +ATOM 134 C CB . ASN A 1 26 ? 48.216 -42.082 -19.556 1.00 53.62 ? 26 ASN A CB 1 +ATOM 135 C CG . ASN A 1 26 ? 49.677 -41.673 -19.503 1.00 60.32 ? 26 ASN A CG 1 +ATOM 136 O OD1 . ASN A 1 26 ? 50.111 -41.088 -18.522 1.00 66.21 ? 26 ASN A OD1 1 +ATOM 137 N ND2 . ASN A 1 26 ? 50.438 -41.973 -20.555 1.00 57.41 ? 26 ASN A ND2 1 +ATOM 138 N N . ARG A 1 27 ? 45.497 -41.353 -17.775 1.00 51.47 ? 27 ARG A N 1 +ATOM 139 C CA . ARG A 1 27 ? 44.035 -41.273 -17.738 1.00 56.22 ? 27 ARG A CA 1 +ATOM 140 C C . ARG A 1 27 ? 43.429 -41.585 -19.108 1.00 56.45 ? 27 ARG A C 1 +ATOM 141 O O . ARG A 1 27 ? 42.405 -42.277 -19.206 1.00 50.50 ? 27 ARG A O 1 +ATOM 142 C CB . ARG A 1 27 ? 43.613 -39.883 -17.249 1.00 45.86 ? 27 ARG A CB 1 +ATOM 143 C CG . ARG A 1 27 ? 42.106 -39.640 -17.220 1.00 50.47 ? 27 ARG A CG 1 +ATOM 144 C CD . ARG A 1 27 ? 41.381 -40.706 -16.388 1.00 47.75 ? 27 ARG A CD 1 +ATOM 145 N NE . ARG A 1 27 ? 39.938 -40.491 -16.371 1.00 57.26 ? 27 ARG A NE 1 +ATOM 146 C CZ . ARG A 1 27 ? 39.094 -40.966 -17.279 1.00 51.66 ? 27 ARG A CZ 1 +ATOM 147 N NH1 . ARG A 1 27 ? 39.509 -41.727 -18.277 1.00 47.09 ? 27 ARG A NH1 1 +ATOM 148 N NH2 . ARG A 1 27 ? 37.800 -40.670 -17.183 1.00 46.66 ? 27 ARG A NH2 1 +ATOM 149 N N . LEU A 1 28 ? 44.065 -41.105 -20.176 1.00 48.48 ? 28 LEU A N 1 +ATOM 150 C CA . LEU A 1 28 ? 43.760 -41.509 -21.536 1.00 48.59 ? 28 LEU A CA 1 +ATOM 151 C C . LEU A 1 28 ? 45.009 -42.157 -22.103 1.00 48.51 ? 28 LEU A C 1 +ATOM 152 O O . LEU A 1 28 ? 46.091 -41.567 -22.059 1.00 55.76 ? 28 LEU A O 1 +ATOM 153 C CB . LEU A 1 28 ? 43.345 -40.314 -22.415 1.00 46.17 ? 28 LEU A CB 1 +ATOM 154 C CG . LEU A 1 28 ? 42.142 -39.522 -21.901 1.00 62.20 ? 28 LEU A CG 1 +ATOM 155 C CD1 . LEU A 1 28 ? 41.895 -38.266 -22.741 1.00 65.68 ? 28 LEU A CD1 1 +ATOM 156 C CD2 . LEU A 1 28 ? 40.907 -40.396 -21.820 1.00 51.81 ? 28 LEU A CD2 1 +ATOM 157 N N . TYR A 1 29 ? 44.864 -43.363 -22.634 1.00 50.24 ? 29 TYR A N 1 +ATOM 158 C CA . TYR A 1 29 ? 46.022 -44.055 -23.172 1.00 45.82 ? 29 TYR A CA 1 +ATOM 159 C C . TYR A 1 29 ? 46.510 -43.314 -24.405 1.00 49.31 ? 29 TYR A C 1 +ATOM 160 O O . TYR A 1 29 ? 45.708 -42.867 -25.229 1.00 50.00 ? 29 TYR A O 1 +ATOM 161 C CB . TYR A 1 29 ? 45.673 -45.511 -23.510 1.00 50.79 ? 29 TYR A CB 1 +ATOM 162 C CG . TYR A 1 29 ? 46.848 -46.275 -24.063 1.00 53.77 ? 29 TYR A CG 1 +ATOM 163 C CD1 . TYR A 1 29 ? 47.867 -46.715 -23.222 1.00 50.79 ? 29 TYR A CD1 1 +ATOM 164 C CD2 . TYR A 1 29 ? 46.959 -46.534 -25.434 1.00 47.10 ? 29 TYR A CD2 1 +ATOM 165 C CE1 . TYR A 1 29 ? 48.965 -47.400 -23.720 1.00 51.13 ? 29 TYR A CE1 1 +ATOM 166 C CE2 . TYR A 1 29 ? 48.047 -47.248 -25.943 1.00 47.74 ? 29 TYR A CE2 1 +ATOM 167 C CZ . TYR A 1 29 ? 49.060 -47.661 -25.076 1.00 54.13 ? 29 TYR A CZ 1 +ATOM 168 O OH . TYR A 1 29 ? 50.157 -48.350 -25.548 1.00 52.36 ? 29 TYR A OH 1 +ATOM 169 N N . VAL A 1 30 ? 47.828 -43.151 -24.518 1.00 49.93 ? 30 VAL A N 1 +ATOM 170 C CA . VAL A 1 30 ? 48.396 -42.497 -25.694 1.00 49.48 ? 30 VAL A CA 1 +ATOM 171 C C . VAL A 1 30 ? 48.765 -43.589 -26.682 1.00 53.35 ? 30 VAL A C 1 +ATOM 172 O O . VAL A 1 30 ? 47.991 -43.903 -27.597 1.00 49.45 ? 30 VAL A O 1 +ATOM 173 C CB . VAL A 1 30 ? 49.608 -41.604 -25.346 1.00 56.96 ? 30 VAL A CB 1 +ATOM 174 C CG1 . VAL A 1 30 ? 50.222 -40.995 -26.620 1.00 53.62 ? 30 VAL A CG1 1 +ATOM 175 C CG2 . VAL A 1 30 ? 49.189 -40.482 -24.412 1.00 49.99 ? 30 VAL A CG2 1 +ATOM 176 N N . GLY A 1 31 ? 49.923 -44.206 -26.485 1.00 51.07 ? 31 GLY A N 1 +ATOM 177 C CA . GLY A 1 31 ? 50.358 -45.270 -27.362 1.00 47.88 ? 31 GLY A CA 1 +ATOM 178 C C . GLY A 1 31 ? 50.921 -44.746 -28.668 1.00 52.15 ? 31 GLY A C 1 +ATOM 179 O O . GLY A 1 31 ? 50.783 -43.567 -29.021 1.00 54.27 ? 31 GLY A O 1 +ATOM 180 N N . TRP A 1 32 ? 51.581 -45.649 -29.404 1.00 49.60 ? 32 TRP A N 1 +ATOM 181 C CA . TRP A 1 32 ? 52.225 -45.244 -30.652 1.00 55.52 ? 32 TRP A CA 1 +ATOM 182 C C . TRP A 1 32 ? 51.205 -44.813 -31.696 1.00 50.87 ? 32 TRP A C 1 +ATOM 183 O O . TRP A 1 32 ? 51.426 -43.828 -32.406 1.00 53.00 ? 32 TRP A O 1 +ATOM 184 C CB . TRP A 1 32 ? 53.122 -46.371 -31.169 1.00 54.42 ? 32 TRP A CB 1 +ATOM 185 C CG . TRP A 1 32 ? 54.207 -46.613 -30.190 1.00 61.31 ? 32 TRP A CG 1 +ATOM 186 C CD1 . TRP A 1 32 ? 54.442 -47.759 -29.501 1.00 52.46 ? 32 TRP A CD1 1 +ATOM 187 C CD2 . TRP A 1 32 ? 55.170 -45.653 -29.731 1.00 55.81 ? 32 TRP A CD2 1 +ATOM 188 N NE1 . TRP A 1 32 ? 55.504 -47.582 -28.648 1.00 61.42 ? 32 TRP A NE1 1 +ATOM 189 C CE2 . TRP A 1 32 ? 55.970 -46.297 -28.769 1.00 60.87 ? 32 TRP A CE2 1 +ATOM 190 C CE3 . TRP A 1 32 ? 55.439 -44.313 -30.048 1.00 59.23 ? 32 TRP A CE3 1 +ATOM 191 C CZ2 . TRP A 1 32 ? 57.029 -45.653 -28.113 1.00 54.14 ? 32 TRP A CZ2 1 +ATOM 192 C CZ3 . TRP A 1 32 ? 56.494 -43.670 -29.395 1.00 57.76 ? 32 TRP A CZ3 1 +ATOM 193 C CH2 . TRP A 1 32 ? 57.278 -44.350 -28.443 1.00 53.46 ? 32 TRP A CH2 1 +ATOM 194 N N . PHE A 1 33 ? 50.071 -45.512 -31.788 1.00 53.11 ? 33 PHE A N 1 +ATOM 195 C CA . PHE A 1 33 ? 49.016 -45.032 -32.678 1.00 54.40 ? 33 PHE A CA 1 +ATOM 196 C C . PHE A 1 33 ? 48.527 -43.655 -32.240 1.00 50.89 ? 33 PHE A C 1 +ATOM 197 O O . PHE A 1 33 ? 48.319 -42.770 -33.072 1.00 51.53 ? 33 PHE A O 1 +ATOM 198 C CB . PHE A 1 33 ? 47.866 -46.042 -32.726 1.00 50.71 ? 33 PHE A CB 1 +ATOM 199 C CG . PHE A 1 33 ? 48.138 -47.220 -33.623 1.00 53.20 ? 33 PHE A CG 1 +ATOM 200 C CD1 . PHE A 1 33 ? 48.138 -47.065 -35.009 1.00 47.66 ? 33 PHE A CD1 1 +ATOM 201 C CD2 . PHE A 1 33 ? 48.393 -48.473 -33.088 1.00 47.19 ? 33 PHE A CD2 1 +ATOM 202 C CE1 . PHE A 1 33 ? 48.394 -48.134 -35.846 1.00 52.52 ? 33 PHE A CE1 1 +ATOM 203 C CE2 . PHE A 1 33 ? 48.642 -49.565 -33.926 1.00 55.19 ? 33 PHE A CE2 1 +ATOM 204 C CZ . PHE A 1 33 ? 48.642 -49.388 -35.304 1.00 61.15 ? 33 PHE A CZ 1 +ATOM 205 N N . GLY A 1 34 ? 48.396 -43.437 -30.927 1.00 46.74 ? 34 GLY A N 1 +ATOM 206 C CA . GLY A 1 34 ? 47.955 -42.140 -30.420 1.00 52.81 ? 34 GLY A CA 1 +ATOM 207 C C . GLY A 1 34 ? 48.886 -40.992 -30.748 1.00 48.81 ? 34 GLY A C 1 +ATOM 208 O O . GLY A 1 34 ? 48.453 -39.833 -30.773 1.00 49.94 ? 34 GLY A O 1 +ATOM 209 N N . VAL A 1 35 ? 50.156 -41.290 -31.013 1.00 57.94 ? 35 VAL A N 1 +ATOM 210 C CA . VAL A 1 35 ? 51.120 -40.260 -31.385 1.00 49.47 ? 35 VAL A CA 1 +ATOM 211 C C . VAL A 1 35 ? 50.782 -39.674 -32.756 1.00 53.23 ? 35 VAL A C 1 +ATOM 212 O O . VAL A 1 35 ? 51.070 -38.504 -33.026 1.00 52.71 ? 35 VAL A O 1 +ATOM 213 C CB . VAL A 1 35 ? 52.538 -40.873 -31.310 1.00 60.93 ? 35 VAL A CB 1 +ATOM 214 C CG1 . VAL A 1 35 ? 53.542 -40.140 -32.169 1.00 56.40 ? 35 VAL A CG1 1 +ATOM 215 C CG2 . VAL A 1 35 ? 53.009 -40.915 -29.843 1.00 57.27 ? 35 VAL A CG2 1 +ATOM 216 N N . ILE A 1 36 ? 50.171 -40.466 -33.638 1.00 48.93 ? 36 ILE A N 1 +ATOM 217 C CA . ILE A 1 36 ? 49.642 -39.944 -34.889 1.00 49.22 ? 36 ILE A CA 1 +ATOM 218 C C . ILE A 1 36 ? 48.205 -39.466 -34.714 1.00 47.48 ? 36 ILE A C 1 +ATOM 219 O O . ILE A 1 36 ? 47.818 -38.420 -35.244 1.00 51.07 ? 36 ILE A O 1 +ATOM 220 C CB . ILE A 1 36 ? 49.751 -41.011 -36.002 1.00 51.35 ? 36 ILE A CB 1 +ATOM 221 C CG1 . ILE A 1 36 ? 51.180 -41.561 -36.105 1.00 62.22 ? 36 ILE A CG1 1 +ATOM 222 C CG2 . ILE A 1 36 ? 49.335 -40.423 -37.373 1.00 47.39 ? 36 ILE A CG2 1 +ATOM 223 C CD1 . ILE A 1 36 ? 52.200 -40.549 -36.632 1.00 57.18 ? 36 ILE A CD1 1 +ATOM 224 N N . MET A 1 37 ? 47.412 -40.221 -33.954 1.00 49.63 ? 37 MET A N 1 +ATOM 225 C CA . MET A 1 37 ? 46.003 -39.894 -33.762 1.00 53.43 ? 37 MET A CA 1 +ATOM 226 C C . MET A 1 37 ? 45.804 -38.482 -33.219 1.00 52.46 ? 37 MET A C 1 +ATOM 227 O O . MET A 1 37 ? 44.986 -37.715 -33.740 1.00 48.59 ? 37 MET A O 1 +ATOM 228 C CB . MET A 1 37 ? 45.363 -40.907 -32.820 1.00 51.72 ? 37 MET A CB 1 +ATOM 229 C CG . MET A 1 37 ? 43.880 -40.747 -32.782 1.00 46.92 ? 37 MET A CG 1 +ATOM 230 S SD . MET A 1 37 ? 43.157 -41.773 -31.525 1.00 52.09 ? 37 MET A SD 1 +ATOM 231 C CE . MET A 1 37 ? 43.689 -40.932 -30.023 1.00 49.39 ? 37 MET A CE 1 +ATOM 232 N N . ILE A 1 38 ? 46.523 -38.126 -32.148 1.00 55.81 ? 38 ILE A N 1 +ATOM 233 C CA . ILE A 1 38 ? 46.201 -36.891 -31.432 1.00 48.87 ? 38 ILE A CA 1 +ATOM 234 C C . ILE A 1 38 ? 46.419 -35.650 -32.293 1.00 53.98 ? 38 ILE A C 1 +ATOM 235 O O . ILE A 1 38 ? 45.489 -34.830 -32.395 1.00 50.69 ? 38 ILE A O 1 +ATOM 236 C CB . ILE A 1 38 ? 46.954 -36.844 -30.087 1.00 52.16 ? 38 ILE A CB 1 +ATOM 237 C CG1 . ILE A 1 38 ? 46.381 -37.885 -29.131 1.00 49.48 ? 38 ILE A CG1 1 +ATOM 238 C CG2 . ILE A 1 38 ? 46.863 -35.434 -29.447 1.00 45.18 ? 38 ILE A CG2 1 +ATOM 239 C CD1 . ILE A 1 38 ? 47.181 -38.023 -27.814 1.00 49.89 ? 38 ILE A CD1 1 +ATOM 240 N N . PRO A 1 39 ? 47.570 -35.456 -32.958 1.00 50.45 ? 39 PRO A N 1 +ATOM 241 C CA . PRO A 1 39 ? 47.712 -34.244 -33.790 1.00 54.08 ? 39 PRO A CA 1 +ATOM 242 C C . PRO A 1 39 ? 46.762 -34.204 -34.975 1.00 51.71 ? 39 PRO A C 1 +ATOM 243 O O . PRO A 1 39 ? 46.280 -33.117 -35.324 1.00 50.72 ? 39 PRO A O 1 +ATOM 244 C CB . PRO A 1 39 ? 49.184 -34.283 -34.246 1.00 49.60 ? 39 PRO A CB 1 +ATOM 245 C CG . PRO A 1 39 ? 49.849 -35.246 -33.361 1.00 56.13 ? 39 PRO A CG 1 +ATOM 246 C CD . PRO A 1 39 ? 48.805 -36.260 -32.974 1.00 55.87 ? 39 PRO A CD 1 +ATOM 247 N N . THR A 1 40 ? 46.497 -35.342 -35.627 1.00 51.19 ? 40 THR A N 1 +ATOM 248 C CA . THR A 1 40 ? 45.632 -35.311 -36.809 1.00 46.12 ? 40 THR A CA 1 +ATOM 249 C C . THR A 1 40 ? 44.189 -35.034 -36.419 1.00 49.10 ? 40 THR A C 1 +ATOM 250 O O . THR A 1 40 ? 43.487 -34.292 -37.116 1.00 45.93 ? 40 THR A O 1 +ATOM 251 C CB . THR A 1 40 ? 45.717 -36.625 -37.598 1.00 48.54 ? 40 THR A CB 1 +ATOM 252 O OG1 . THR A 1 40 ? 45.447 -37.739 -36.730 1.00 49.03 ? 40 THR A OG1 1 +ATOM 253 C CG2 . THR A 1 40 ? 47.100 -36.784 -38.266 1.00 45.26 ? 40 THR A CG2 1 +ATOM 254 N N . LEU A 1 41 ? 43.722 -35.626 -35.315 1.00 47.38 ? 41 LEU A N 1 +ATOM 255 C CA . LEU A 1 41 ? 42.351 -35.375 -34.900 1.00 47.09 ? 41 LEU A CA 1 +ATOM 256 C C . LEU A 1 41 ? 42.183 -33.940 -34.429 1.00 49.27 ? 41 LEU A C 1 +ATOM 257 O O . LEU A 1 41 ? 41.133 -33.333 -34.661 1.00 50.17 ? 41 LEU A O 1 +ATOM 258 C CB . LEU A 1 41 ? 41.922 -36.352 -33.800 1.00 43.87 ? 41 LEU A CB 1 +ATOM 259 C CG . LEU A 1 41 ? 41.633 -37.786 -34.253 1.00 52.26 ? 41 LEU A CG 1 +ATOM 260 C CD1 . LEU A 1 41 ? 41.070 -38.549 -33.089 1.00 47.05 ? 41 LEU A CD1 1 +ATOM 261 C CD2 . LEU A 1 41 ? 40.706 -37.831 -35.463 1.00 44.84 ? 41 LEU A CD2 1 +ATOM 262 N N . LEU A 1 42 ? 43.197 -33.387 -33.750 1.00 46.22 ? 42 LEU A N 1 +ATOM 263 C CA . LEU A 1 42 ? 43.121 -31.998 -33.310 1.00 45.58 ? 42 LEU A CA 1 +ATOM 264 C C . LEU A 1 42 ? 43.078 -31.061 -34.502 1.00 47.26 ? 42 LEU A C 1 +ATOM 265 O O . LEU A 1 42 ? 42.287 -30.113 -34.531 1.00 53.76 ? 42 LEU A O 1 +ATOM 266 C CB . LEU A 1 42 ? 44.304 -31.651 -32.397 1.00 45.94 ? 42 LEU A CB 1 +ATOM 267 C CG . LEU A 1 42 ? 44.193 -32.147 -30.955 1.00 60.92 ? 42 LEU A CG 1 +ATOM 268 C CD1 . LEU A 1 42 ? 45.509 -31.975 -30.204 1.00 55.36 ? 42 LEU A CD1 1 +ATOM 269 C CD2 . LEU A 1 42 ? 43.060 -31.413 -30.242 1.00 60.30 ? 42 LEU A CD2 1 +ATOM 270 N N . ALA A 1 43 ? 43.939 -31.304 -35.492 1.00 47.95 ? 43 ALA A N 1 +ATOM 271 C CA . ALA A 1 43 ? 43.933 -30.485 -36.700 1.00 50.96 ? 43 ALA A CA 1 +ATOM 272 C C . ALA A 1 43 ? 42.573 -30.544 -37.396 1.00 50.88 ? 43 ALA A C 1 +ATOM 273 O O . ALA A 1 43 ? 42.008 -29.514 -37.771 1.00 47.84 ? 43 ALA A O 1 +ATOM 274 C CB . ALA A 1 43 ? 45.053 -30.943 -37.644 1.00 45.17 ? 43 ALA A CB 1 +ATOM 275 N N . ALA A 1 44 ? 42.023 -31.750 -37.564 1.00 45.74 ? 44 ALA A N 1 +ATOM 276 C CA . ALA A 1 44 ? 40.743 -31.866 -38.258 1.00 44.99 ? 44 ALA A CA 1 +ATOM 277 C C . ALA A 1 44 ? 39.614 -31.226 -37.449 1.00 42.15 ? 44 ALA A C 1 +ATOM 278 O O . ALA A 1 44 ? 38.712 -30.608 -38.021 1.00 46.39 ? 44 ALA A O 1 +ATOM 279 C CB . ALA A 1 44 ? 40.446 -33.344 -38.554 1.00 44.58 ? 44 ALA A CB 1 +ATOM 280 N N . THR A 1 45 ? 39.651 -31.364 -36.115 1.00 44.01 ? 45 THR A N 1 +ATOM 281 C CA . THR A 1 45 ? 38.596 -30.820 -35.259 1.00 42.18 ? 45 THR A CA 1 +ATOM 282 C C . THR A 1 45 ? 38.624 -29.291 -35.269 1.00 47.52 ? 45 THR A C 1 +ATOM 283 O O . THR A 1 45 ? 37.579 -28.637 -35.379 1.00 47.91 ? 45 THR A O 1 +ATOM 284 C CB . THR A 1 45 ? 38.746 -31.372 -33.825 1.00 41.46 ? 45 THR A CB 1 +ATOM 285 O OG1 . THR A 1 45 ? 38.623 -32.800 -33.833 1.00 49.30 ? 45 THR A OG1 1 +ATOM 286 C CG2 . THR A 1 45 ? 37.690 -30.783 -32.846 1.00 43.74 ? 45 THR A CG2 1 +ATOM 287 N N . ILE A 1 46 ? 39.818 -28.697 -35.173 1.00 46.99 ? 46 ILE A N 1 +ATOM 288 C CA . ILE A 1 46 ? 39.893 -27.244 -35.106 1.00 40.88 ? 46 ILE A CA 1 +ATOM 289 C C . ILE A 1 46 ? 39.452 -26.630 -36.424 1.00 46.69 ? 46 ILE A C 1 +ATOM 290 O O . ILE A 1 46 ? 38.702 -25.646 -36.448 1.00 47.26 ? 46 ILE A O 1 +ATOM 291 C CB . ILE A 1 46 ? 41.311 -26.788 -34.705 1.00 41.53 ? 46 ILE A CB 1 +ATOM 292 C CG1 . ILE A 1 46 ? 41.552 -27.062 -33.211 1.00 46.95 ? 46 ILE A CG1 1 +ATOM 293 C CG2 . ILE A 1 46 ? 41.482 -25.307 -35.016 1.00 41.71 ? 46 ILE A CG2 1 +ATOM 294 C CD1 . ILE A 1 46 ? 42.992 -27.320 -32.852 1.00 56.22 ? 46 ILE A CD1 1 +ATOM 295 N N . CYS A 1 47 ? 39.926 -27.185 -37.539 1.00 46.19 ? 47 CYS A N 1 +ATOM 296 C CA . CYS A 1 47 ? 39.548 -26.650 -38.837 1.00 48.53 ? 47 CYS A CA 1 +ATOM 297 C C . CYS A 1 47 ? 38.048 -26.790 -39.067 1.00 40.99 ? 47 CYS A C 1 +ATOM 298 O O . CYS A 1 47 ? 37.392 -25.847 -39.526 1.00 46.91 ? 47 CYS A O 1 +ATOM 299 C CB . CYS A 1 47 ? 40.342 -27.344 -39.940 1.00 44.45 ? 47 CYS A CB 1 +ATOM 300 S SG . CYS A 1 47 ? 40.122 -26.582 -41.560 1.00 48.69 ? 47 CYS A SG 1 +ATOM 301 N N . PHE A 1 48 ? 37.478 -27.931 -38.677 1.00 44.54 ? 48 PHE A N 1 +ATOM 302 C CA . PHE A 1 48 ? 36.053 -28.158 -38.877 1.00 42.67 ? 48 PHE A CA 1 +ATOM 303 C C . PHE A 1 48 ? 35.216 -27.129 -38.114 1.00 40.33 ? 48 PHE A C 1 +ATOM 304 O O . PHE A 1 48 ? 34.303 -26.521 -38.688 1.00 43.71 ? 48 PHE A O 1 +ATOM 305 C CB . PHE A 1 48 ? 35.680 -29.601 -38.475 1.00 43.43 ? 48 PHE A CB 1 +ATOM 306 C CG . PHE A 1 48 ? 34.198 -29.843 -38.436 1.00 46.10 ? 48 PHE A CG 1 +ATOM 307 C CD1 . PHE A 1 48 ? 33.492 -30.068 -39.610 1.00 46.44 ? 48 PHE A CD1 1 +ATOM 308 C CD2 . PHE A 1 48 ? 33.497 -29.773 -37.231 1.00 44.11 ? 48 PHE A CD2 1 +ATOM 309 C CE1 . PHE A 1 48 ? 32.114 -30.264 -39.582 1.00 42.17 ? 48 PHE A CE1 1 +ATOM 310 C CE2 . PHE A 1 48 ? 32.119 -29.955 -37.198 1.00 52.15 ? 48 PHE A CE2 1 +ATOM 311 C CZ . PHE A 1 48 ? 31.429 -30.215 -38.385 1.00 44.30 ? 48 PHE A CZ 1 +ATOM 312 N N . VAL A 1 49 ? 35.520 -26.916 -36.823 1.00 42.76 ? 49 VAL A N 1 +ATOM 313 C CA . VAL A 1 49 ? 34.757 -25.963 -36.002 1.00 45.36 ? 49 VAL A CA 1 +ATOM 314 C C . VAL A 1 49 ? 34.852 -24.552 -36.584 1.00 47.25 ? 49 VAL A C 1 +ATOM 315 O O . VAL A 1 49 ? 33.840 -23.856 -36.751 1.00 44.10 ? 49 VAL A O 1 +ATOM 316 C CB . VAL A 1 49 ? 35.232 -26.014 -34.535 1.00 46.36 ? 49 VAL A CB 1 +ATOM 317 C CG1 . VAL A 1 49 ? 34.641 -24.868 -33.715 1.00 46.38 ? 49 VAL A CG1 1 +ATOM 318 C CG2 . VAL A 1 49 ? 34.837 -27.326 -33.908 1.00 45.18 ? 49 VAL A CG2 1 +ATOM 319 N N . ILE A 1 50 ? 36.067 -24.119 -36.930 1.00 44.60 ? 50 ILE A N 1 +ATOM 320 C CA . ILE A 1 50 ? 36.236 -22.798 -37.537 1.00 43.28 ? 50 ILE A CA 1 +ATOM 321 C C . ILE A 1 50 ? 35.496 -22.715 -38.874 1.00 47.87 ? 50 ILE A C 1 +ATOM 322 O O . ILE A 1 50 ? 34.769 -21.751 -39.141 1.00 47.28 ? 50 ILE A O 1 +ATOM 323 C CB . ILE A 1 50 ? 37.732 -22.477 -37.695 1.00 46.57 ? 50 ILE A CB 1 +ATOM 324 C CG1 . ILE A 1 50 ? 38.409 -22.404 -36.312 1.00 51.91 ? 50 ILE A CG1 1 +ATOM 325 C CG2 . ILE A 1 50 ? 37.920 -21.187 -38.413 1.00 43.96 ? 50 ILE A CG2 1 +ATOM 326 C CD1 . ILE A 1 50 ? 39.917 -22.181 -36.421 1.00 60.19 ? 50 ILE A CD1 1 +ATOM 327 N N . ALA A 1 51 ? 35.657 -23.725 -39.735 1.00 46.39 ? 51 ALA A N 1 +ATOM 328 C CA . ALA A 1 51 ? 35.018 -23.649 -41.054 1.00 48.39 ? 51 ALA A CA 1 +ATOM 329 C C . ALA A 1 51 ? 33.497 -23.684 -40.931 1.00 39.91 ? 51 ALA A C 1 +ATOM 330 O O . ALA A 1 51 ? 32.794 -22.958 -41.642 1.00 43.62 ? 51 ALA A O 1 +ATOM 331 C CB . ALA A 1 51 ? 35.517 -24.784 -41.961 1.00 42.07 ? 51 ALA A CB 1 +ATOM 332 N N . PHE A 1 52 ? 32.979 -24.510 -40.011 1.00 42.50 ? 52 PHE A N 1 +ATOM 333 C CA . PHE A 1 52 ? 31.540 -24.628 -39.849 1.00 39.60 ? 52 PHE A CA 1 +ATOM 334 C C . PHE A 1 52 ? 30.921 -23.309 -39.412 1.00 45.11 ? 52 PHE A C 1 +ATOM 335 O O . PHE A 1 52 ? 29.804 -22.974 -39.824 1.00 46.88 ? 52 PHE A O 1 +ATOM 336 C CB . PHE A 1 52 ? 31.214 -25.741 -38.832 1.00 45.01 ? 52 PHE A CB 1 +ATOM 337 C CG . PHE A 1 52 ? 29.775 -26.156 -38.855 1.00 42.59 ? 52 PHE A CG 1 +ATOM 338 C CD1 . PHE A 1 52 ? 29.348 -27.145 -39.739 1.00 39.66 ? 52 PHE A CD1 1 +ATOM 339 C CD2 . PHE A 1 52 ? 28.838 -25.506 -38.056 1.00 38.67 ? 52 PHE A CD2 1 +ATOM 340 C CE1 . PHE A 1 52 ? 28.011 -27.516 -39.806 1.00 43.50 ? 52 PHE A CE1 1 +ATOM 341 C CE2 . PHE A 1 52 ? 27.487 -25.869 -38.111 1.00 48.66 ? 52 PHE A CE2 1 +ATOM 342 C CZ . PHE A 1 52 ? 27.069 -26.877 -38.996 1.00 40.81 ? 52 PHE A CZ 1 +ATOM 343 N N . ILE A 1 53 ? 31.634 -22.539 -38.593 1.00 47.87 ? 53 ILE A N 1 +ATOM 344 C CA . ILE A 1 53 ? 31.104 -21.270 -38.113 1.00 45.94 ? 53 ILE A CA 1 +ATOM 345 C C . ILE A 1 53 ? 31.298 -20.155 -39.137 1.00 47.72 ? 53 ILE A C 1 +ATOM 346 O O . ILE A 1 53 ? 30.392 -19.337 -39.365 1.00 46.34 ? 53 ILE A O 1 +ATOM 347 C CB . ILE A 1 53 ? 31.760 -20.911 -36.766 1.00 48.23 ? 53 ILE A CB 1 +ATOM 348 C CG1 . ILE A 1 53 ? 31.407 -21.938 -35.691 1.00 47.89 ? 53 ILE A CG1 1 +ATOM 349 C CG2 . ILE A 1 53 ? 31.405 -19.462 -36.368 1.00 43.76 ? 53 ILE A CG2 1 +ATOM 350 C CD1 . ILE A 1 53 ? 32.173 -21.717 -34.354 1.00 45.34 ? 53 ILE A CD1 1 +ATOM 351 N N . ALA A 1 54 ? 32.482 -20.071 -39.758 1.00 45.18 ? 54 ALA A N 1 +ATOM 352 C CA . ALA A 1 54 ? 32.860 -18.832 -40.435 1.00 47.85 ? 54 ALA A CA 1 +ATOM 353 C C . ALA A 1 54 ? 33.357 -18.958 -41.876 1.00 50.70 ? 54 ALA A C 1 +ATOM 354 O O . ALA A 1 54 ? 33.680 -17.927 -42.477 1.00 47.18 ? 54 ALA A O 1 +ATOM 355 C CB . ALA A 1 54 ? 33.942 -18.098 -39.620 1.00 43.69 ? 54 ALA A CB 1 +ATOM 356 N N . ALA A 1 55 ? 33.436 -20.155 -42.451 1.00 44.82 ? 55 ALA A N 1 +ATOM 357 C CA . ALA A 1 55 ? 33.973 -20.258 -43.808 1.00 46.13 ? 55 ALA A CA 1 +ATOM 358 C C . ALA A 1 55 ? 33.036 -19.595 -44.821 1.00 51.85 ? 55 ALA A C 1 +ATOM 359 O O . ALA A 1 55 ? 31.814 -19.711 -44.707 1.00 42.82 ? 55 ALA A O 1 +ATOM 360 C CB . ALA A 1 55 ? 34.198 -21.716 -44.194 1.00 37.76 ? 55 ALA A CB 1 +ATOM 361 N N . PRO A 1 56 ? 33.578 -18.905 -45.822 1.00 48.29 ? 56 PRO A N 1 +ATOM 362 C CA . PRO A 1 56 ? 32.731 -18.294 -46.870 1.00 47.40 ? 56 PRO A CA 1 +ATOM 363 C C . PRO A 1 56 ? 32.270 -19.340 -47.877 1.00 46.87 ? 56 PRO A C 1 +ATOM 364 O O . PRO A 1 56 ? 32.741 -20.490 -47.840 1.00 41.12 ? 56 PRO A O 1 +ATOM 365 C CB . PRO A 1 56 ? 33.675 -17.256 -47.512 1.00 41.53 ? 56 PRO A CB 1 +ATOM 366 C CG . PRO A 1 56 ? 35.043 -17.923 -47.369 1.00 52.80 ? 56 PRO A CG 1 +ATOM 367 C CD . PRO A 1 56 ? 35.008 -18.593 -46.001 1.00 50.71 ? 56 PRO A CD 1 +ATOM 368 N N A PRO A 1 57 ? 31.338 -18.980 -48.775 0.40 46.69 ? 57 PRO A N 1 +ATOM 369 N N B PRO A 1 57 ? 31.352 -18.990 -48.781 0.60 46.78 ? 57 PRO A N 1 +ATOM 370 C CA A PRO A 1 57 ? 30.782 -19.967 -49.712 0.40 42.31 ? 57 PRO A CA 1 +ATOM 371 C CA B PRO A 1 57 ? 30.807 -19.990 -49.710 0.60 42.22 ? 57 PRO A CA 1 +ATOM 372 C C A PRO A 1 57 ? 31.838 -20.620 -50.594 0.40 47.01 ? 57 PRO A C 1 +ATOM 373 C C B PRO A 1 57 ? 31.864 -20.652 -50.587 0.60 47.14 ? 57 PRO A C 1 +ATOM 374 O O A PRO A 1 57 ? 32.880 -20.030 -50.900 0.40 45.79 ? 57 PRO A O 1 +ATOM 375 O O B PRO A 1 57 ? 32.924 -20.084 -50.870 0.60 45.81 ? 57 PRO A O 1 +ATOM 376 C CB A PRO A 1 57 ? 29.796 -19.140 -50.543 0.40 40.59 ? 57 PRO A CB 1 +ATOM 377 C CB B PRO A 1 57 ? 29.818 -19.177 -50.549 0.60 40.49 ? 57 PRO A CB 1 +ATOM 378 C CG A PRO A 1 57 ? 29.376 -18.036 -49.614 0.40 46.14 ? 57 PRO A CG 1 +ATOM 379 C CG B PRO A 1 57 ? 29.348 -18.114 -49.605 0.60 46.22 ? 57 PRO A CG 1 +ATOM 380 C CD A PRO A 1 57 ? 30.605 -17.695 -48.827 0.40 45.03 ? 57 PRO A CD 1 +ATOM 381 C CD B PRO A 1 57 ? 30.562 -17.745 -48.796 0.60 45.02 ? 57 PRO A CD 1 +ATOM 382 N N A VAL A 1 58 ? 31.535 -21.856 -51.010 0.40 40.83 ? 58 VAL A N 1 +ATOM 383 N N B VAL A 1 58 ? 31.546 -21.875 -51.019 0.60 40.75 ? 58 VAL A N 1 +ATOM 384 C CA A VAL A 1 58 ? 32.466 -22.764 -51.675 0.40 42.30 ? 58 VAL A CA 1 +ATOM 385 C CA B VAL A 1 58 ? 32.475 -22.775 -51.696 0.60 42.26 ? 58 VAL A CA 1 +ATOM 386 C C A VAL A 1 58 ? 31.887 -23.181 -53.025 0.40 44.00 ? 58 VAL A C 1 +ATOM 387 C C B VAL A 1 58 ? 31.883 -23.204 -53.035 0.60 44.00 ? 58 VAL A C 1 +ATOM 388 O O A VAL A 1 58 ? 30.725 -23.595 -53.109 0.40 46.72 ? 58 VAL A O 1 +ATOM 389 O O B VAL A 1 58 ? 30.725 -23.626 -53.106 0.60 46.86 ? 58 VAL A O 1 +ATOM 390 C CB A VAL A 1 58 ? 32.760 -24.007 -50.813 0.40 46.33 ? 58 VAL A CB 1 +ATOM 391 C CB B VAL A 1 58 ? 32.791 -24.010 -50.838 0.60 46.52 ? 58 VAL A CB 1 +ATOM 392 C CG1 A VAL A 1 58 ? 33.493 -25.087 -51.640 0.40 39.85 ? 58 VAL A CG1 1 +ATOM 393 C CG1 B VAL A 1 58 ? 33.563 -25.059 -51.659 0.60 39.71 ? 58 VAL A CG1 1 +ATOM 394 C CG2 A VAL A 1 58 ? 33.583 -23.611 -49.588 0.40 42.56 ? 58 VAL A CG2 1 +ATOM 395 C CG2 B VAL A 1 58 ? 33.568 -23.591 -49.589 0.60 42.52 ? 58 VAL A CG2 1 +ATOM 396 N N A ASP A 1 59 ? 32.704 -23.081 -54.076 0.40 43.38 ? 59 ASP A N 1 +ATOM 397 N N B ASP A 1 59 ? 32.689 -23.129 -54.087 0.60 43.39 ? 59 ASP A N 1 +ATOM 398 C CA A ASP A 1 59 ? 32.320 -23.493 -55.428 0.40 43.63 ? 59 ASP A CA 1 +ATOM 399 C CA B ASP A 1 59 ? 32.257 -23.536 -55.421 0.60 43.67 ? 59 ASP A CA 1 +ATOM 400 C C A ASP A 1 59 ? 32.467 -25.012 -55.586 0.40 46.82 ? 59 ASP A C 1 +ATOM 401 C C B ASP A 1 59 ? 32.438 -25.051 -55.592 0.60 46.96 ? 59 ASP A C 1 +ATOM 402 O O A ASP A 1 59 ? 33.388 -25.518 -56.236 0.40 44.79 ? 59 ASP A O 1 +ATOM 403 O O B ASP A 1 59 ? 33.374 -25.530 -56.239 0.60 44.79 ? 59 ASP A O 1 +ATOM 404 C CB A ASP A 1 59 ? 33.163 -22.759 -56.459 0.40 41.25 ? 59 ASP A CB 1 +ATOM 405 C CB B ASP A 1 59 ? 33.026 -22.755 -56.471 0.60 41.28 ? 59 ASP A CB 1 +ATOM 406 C CG A ASP A 1 59 ? 32.678 -23.009 -57.851 0.40 47.17 ? 59 ASP A CG 1 +ATOM 407 C CG B ASP A 1 59 ? 32.549 -23.057 -57.847 0.60 47.48 ? 59 ASP A CG 1 +ATOM 408 O OD1 A ASP A 1 59 ? 31.452 -23.238 -57.979 0.40 45.61 ? 59 ASP A OD1 1 +ATOM 409 O OD1 B ASP A 1 59 ? 31.314 -23.207 -57.995 0.60 45.66 ? 59 ASP A OD1 1 +ATOM 410 O OD2 A ASP A 1 59 ? 33.509 -23.026 -58.790 0.40 45.46 ? 59 ASP A OD2 1 +ATOM 411 O OD2 B ASP A 1 59 ? 33.395 -23.160 -58.761 0.60 45.83 ? 59 ASP A OD2 1 +ATOM 412 N N A ILE A 1 60 ? 31.519 -25.752 -54.998 0.40 41.40 ? 60 ILE A N 1 +ATOM 413 N N B ILE A 1 60 ? 31.491 -25.812 -55.022 0.60 41.38 ? 60 ILE A N 1 +ATOM 414 C CA A ILE A 1 60 ? 31.638 -27.213 -54.925 0.40 44.17 ? 60 ILE A CA 1 +ATOM 415 C CA B ILE A 1 60 ? 31.616 -27.274 -54.947 0.60 44.25 ? 60 ILE A CA 1 +ATOM 416 C C A ILE A 1 60 ? 31.706 -27.837 -56.318 0.40 44.10 ? 60 ILE A C 1 +ATOM 417 C C B ILE A 1 60 ? 31.703 -27.904 -56.340 0.60 44.03 ? 60 ILE A C 1 +ATOM 418 O O A ILE A 1 60 ? 32.541 -28.710 -56.579 0.40 42.94 ? 60 ILE A O 1 +ATOM 419 O O B ILE A 1 60 ? 32.561 -28.755 -56.595 0.60 42.89 ? 60 ILE A O 1 +ATOM 420 C CB A ILE A 1 60 ? 30.483 -27.815 -54.091 0.40 44.48 ? 60 ILE A CB 1 +ATOM 421 C CB B ILE A 1 60 ? 30.454 -27.876 -54.120 0.60 44.49 ? 60 ILE A CB 1 +ATOM 422 C CG1 A ILE A 1 60 ? 30.534 -29.348 -54.114 0.40 44.51 ? 60 ILE A CG1 1 +ATOM 423 C CG1 B ILE A 1 60 ? 30.509 -29.406 -54.105 0.60 44.58 ? 60 ILE A CG1 1 +ATOM 424 C CG2 A ILE A 1 60 ? 29.103 -27.284 -54.567 0.40 42.87 ? 60 ILE A CG2 1 +ATOM 425 C CG2 B ILE A 1 60 ? 29.085 -27.411 -54.631 0.60 42.91 ? 60 ILE A CG2 1 +ATOM 426 C CD1 A ILE A 1 60 ? 29.494 -30.024 -53.219 0.40 36.16 ? 60 ILE A CD1 1 +ATOM 427 C CD1 B ILE A 1 60 ? 29.438 -30.034 -53.212 0.60 35.97 ? 60 ILE A CD1 1 +ATOM 428 N N A ASP A 1 61 ? 30.869 -27.384 -57.248 0.40 43.70 ? 61 ASP A N 1 +ATOM 429 N N B ASP A 1 61 ? 30.848 -27.487 -57.267 0.60 43.85 ? 61 ASP A N 1 +ATOM 430 C CA A ASP A 1 61 ? 30.762 -28.076 -58.526 0.40 46.12 ? 61 ASP A CA 1 +ATOM 431 C CA B ASP A 1 61 ? 30.769 -28.176 -58.551 0.60 46.10 ? 61 ASP A CA 1 +ATOM 432 C C A ASP A 1 61 ? 31.596 -27.441 -59.627 0.40 44.72 ? 61 ASP A C 1 +ATOM 433 C C B ASP A 1 61 ? 31.607 -27.522 -59.633 0.60 44.77 ? 61 ASP A C 1 +ATOM 434 O O A ASP A 1 61 ? 31.454 -27.828 -60.788 0.40 45.44 ? 61 ASP A O 1 +ATOM 435 O O B ASP A 1 61 ? 31.515 -27.924 -60.796 0.60 45.36 ? 61 ASP A O 1 +ATOM 436 C CB A ASP A 1 61 ? 29.295 -28.186 -58.935 0.40 41.65 ? 61 ASP A CB 1 +ATOM 437 C CB B ASP A 1 61 ? 29.312 -28.311 -58.987 0.60 41.59 ? 61 ASP A CB 1 +ATOM 438 C CG A ASP A 1 61 ? 28.528 -29.151 -58.023 0.40 50.40 ? 61 ASP A CG 1 +ATOM 439 C CG B ASP A 1 61 ? 28.542 -29.268 -58.071 0.60 50.65 ? 61 ASP A CG 1 +ATOM 440 O OD1 A ASP A 1 61 ? 29.129 -30.169 -57.591 0.40 42.70 ? 61 ASP A OD1 1 +ATOM 441 O OD1 B ASP A 1 61 ? 29.128 -30.297 -57.668 0.60 42.97 ? 61 ASP A OD1 1 +ATOM 442 O OD2 A ASP A 1 61 ? 27.354 -28.869 -57.695 0.40 49.58 ? 61 ASP A OD2 1 +ATOM 443 O OD2 B ASP A 1 61 ? 27.377 -28.966 -57.723 0.60 49.85 ? 61 ASP A OD2 1 +ATOM 444 N N A GLY A 1 62 ? 32.502 -26.525 -59.283 0.40 44.60 ? 62 GLY A N 1 +ATOM 445 N N B GLY A 1 62 ? 32.451 -26.555 -59.273 0.60 44.54 ? 62 GLY A N 1 +ATOM 446 C CA A GLY A 1 62 ? 33.448 -26.009 -60.255 0.40 47.99 ? 62 GLY A CA 1 +ATOM 447 C CA B GLY A 1 62 ? 33.425 -26.033 -60.215 0.60 48.07 ? 62 GLY A CA 1 +ATOM 448 C C A GLY A 1 62 ? 32.863 -25.073 -61.289 0.40 46.69 ? 62 GLY A C 1 +ATOM 449 C C B GLY A 1 62 ? 32.864 -25.121 -61.282 0.60 46.78 ? 62 GLY A C 1 +ATOM 450 O O A GLY A 1 62 ? 33.522 -24.793 -62.288 0.40 48.28 ? 62 GLY A O 1 +ATOM 451 O O B GLY A 1 62 ? 33.537 -24.872 -62.275 0.60 48.34 ? 62 GLY A O 1 +ATOM 452 N N A ILE A 1 63 ? 31.651 -24.573 -61.077 0.40 48.54 ? 63 ILE A N 1 +ATOM 453 N N B ILE A 1 63 ? 31.653 -24.594 -61.090 0.60 48.73 ? 63 ILE A N 1 +ATOM 454 C CA A ILE A 1 63 ? 30.942 -23.786 -62.071 0.40 44.53 ? 63 ILE A CA 1 +ATOM 455 C CA B ILE A 1 63 ? 30.971 -23.814 -62.118 0.60 44.47 ? 63 ILE A CA 1 +ATOM 456 C C A ILE A 1 63 ? 30.748 -22.360 -61.580 0.40 48.30 ? 63 ILE A C 1 +ATOM 457 C C B ILE A 1 63 ? 30.778 -22.386 -61.628 0.60 48.48 ? 63 ILE A C 1 +ATOM 458 O O A ILE A 1 63 ? 29.840 -21.667 -62.034 0.40 44.02 ? 63 ILE A O 1 +ATOM 459 O O B ILE A 1 63 ? 29.857 -21.689 -62.073 0.60 43.95 ? 63 ILE A O 1 +ATOM 460 C CB A ILE A 1 63 ? 29.597 -24.425 -62.449 0.40 46.69 ? 63 ILE A CB 1 +ATOM 461 C CB B ILE A 1 63 ? 29.619 -24.445 -62.506 0.60 46.73 ? 63 ILE A CB 1 +ATOM 462 C CG1 A ILE A 1 63 ? 28.781 -24.725 -61.181 0.40 47.19 ? 63 ILE A CG1 1 +ATOM 463 C CG1 B ILE A 1 63 ? 28.741 -24.669 -61.264 0.60 47.31 ? 63 ILE A CG1 1 +ATOM 464 C CG2 A ILE A 1 63 ? 29.832 -25.684 -63.266 0.40 45.52 ? 63 ILE A CG2 1 +ATOM 465 C CG2 B ILE A 1 63 ? 29.833 -25.744 -63.276 0.60 45.53 ? 63 ILE A CG2 1 +ATOM 466 C CD1 A ILE A 1 63 ? 27.312 -24.996 -61.424 0.40 43.24 ? 63 ILE A CD1 1 +ATOM 467 C CD1 B ILE A 1 63 ? 27.298 -25.047 -61.582 0.60 43.34 ? 63 ILE A CD1 1 +ATOM 468 N N A ARG A 1 64 ? 31.600 -21.922 -60.653 0.40 41.11 ? 64 ARG A N 1 +ATOM 469 N N B ARG A 1 64 ? 31.650 -21.939 -60.721 0.60 40.97 ? 64 ARG A N 1 +ATOM 470 C CA A ARG A 1 64 ? 31.581 -20.553 -60.155 0.40 44.76 ? 64 ARG A CA 1 +ATOM 471 C CA B ARG A 1 64 ? 31.605 -20.571 -60.210 0.60 44.83 ? 64 ARG A CA 1 +ATOM 472 C C A ARG A 1 64 ? 30.211 -20.240 -59.574 0.40 48.63 ? 64 ARG A C 1 +ATOM 473 C C B ARG A 1 64 ? 30.234 -20.263 -59.618 0.60 48.76 ? 64 ARG A C 1 +ATOM 474 O O A ARG A 1 64 ? 29.616 -19.203 -59.861 0.40 45.84 ? 64 ARG A O 1 +ATOM 475 O O B ARG A 1 64 ? 29.652 -19.206 -59.878 0.60 45.85 ? 64 ARG A O 1 +ATOM 476 C CB A ARG A 1 64 ? 31.970 -19.554 -61.261 0.40 43.99 ? 64 ARG A CB 1 +ATOM 477 C CB B ARG A 1 64 ? 31.971 -19.555 -61.306 0.60 43.98 ? 64 ARG A CB 1 +ATOM 478 C CG A ARG A 1 64 ? 33.175 -20.019 -62.080 0.40 42.64 ? 64 ARG A CG 1 +ATOM 479 C CG B ARG A 1 64 ? 33.177 -19.966 -62.145 0.60 42.42 ? 64 ARG A CG 1 +ATOM 480 C CD A ARG A 1 64 ? 34.417 -20.199 -61.204 0.40 47.16 ? 64 ARG A CD 1 +ATOM 481 C CD B ARG A 1 64 ? 34.401 -20.207 -61.248 0.60 47.30 ? 64 ARG A CD 1 +ATOM 482 N NE A ARG A 1 64 ? 35.535 -20.760 -61.954 0.40 47.15 ? 64 ARG A NE 1 +ATOM 483 N NE B ARG A 1 64 ? 35.506 -20.790 -61.994 0.60 47.21 ? 64 ARG A NE 1 +ATOM 484 C CZ A ARG A 1 64 ? 36.301 -20.069 -62.792 0.40 53.66 ? 64 ARG A CZ 1 +ATOM 485 C CZ B ARG A 1 64 ? 36.299 -20.104 -62.808 0.60 53.82 ? 64 ARG A CZ 1 +ATOM 486 N NH1 A ARG A 1 64 ? 36.122 -18.770 -62.983 0.40 48.25 ? 64 ARG A NH1 1 +ATOM 487 N NH1 B ARG A 1 64 ? 36.164 -18.795 -62.963 0.60 48.30 ? 64 ARG A NH1 1 +ATOM 488 N NH2 A ARG A 1 64 ? 37.272 -20.700 -63.456 0.40 46.57 ? 64 ARG A NH2 1 +ATOM 489 N NH2 B ARG A 1 64 ? 37.247 -20.748 -63.488 0.60 46.55 ? 64 ARG A NH2 1 +ATOM 490 N N A GLU A 1 65 ? 29.694 -21.190 -58.782 0.40 46.62 ? 65 GLU A N 1 +ATOM 491 N N B GLU A 1 65 ? 29.703 -21.210 -58.846 0.60 46.64 ? 65 GLU A N 1 +ATOM 492 C CA A GLU A 1 65 ? 28.370 -21.089 -58.174 0.40 48.64 ? 65 GLU A CA 1 +ATOM 493 C CA B GLU A 1 65 ? 28.377 -21.102 -58.237 0.60 48.67 ? 65 GLU A CA 1 +ATOM 494 C C A GLU A 1 65 ? 28.499 -21.469 -56.704 0.40 51.03 ? 65 GLU A C 1 +ATOM 495 C C B GLU A 1 65 ? 28.504 -21.493 -56.765 0.60 51.22 ? 65 GLU A C 1 +ATOM 496 O O A GLU A 1 65 ? 28.173 -22.595 -56.310 0.40 50.25 ? 65 GLU A O 1 +ATOM 497 O O B GLU A 1 65 ? 28.094 -22.587 -56.361 0.60 50.40 ? 65 GLU A O 1 +ATOM 498 C CB A GLU A 1 65 ? 27.356 -21.969 -58.908 0.40 45.38 ? 65 GLU A CB 1 +ATOM 499 C CB B GLU A 1 65 ? 27.364 -21.977 -58.981 0.60 45.15 ? 65 GLU A CB 1 +ATOM 500 C CG A GLU A 1 65 ? 25.899 -21.708 -58.488 0.40 53.09 ? 65 GLU A CG 1 +ATOM 501 C CG B GLU A 1 65 ? 25.890 -21.672 -58.665 0.60 53.06 ? 65 GLU A CG 1 +ATOM 502 C CD A GLU A 1 65 ? 24.924 -22.772 -59.002 0.40 60.62 ? 65 GLU A CD 1 +ATOM 503 C CD B GLU A 1 65 ? 24.958 -22.815 -59.079 0.60 60.87 ? 65 GLU A CD 1 +ATOM 504 O OE1 A GLU A 1 65 ? 24.891 -23.035 -60.225 0.40 53.56 ? 65 GLU A OE1 1 +ATOM 505 O OE1 B GLU A 1 65 ? 24.903 -23.147 -60.283 0.60 53.72 ? 65 GLU A OE1 1 +ATOM 506 O OE2 A GLU A 1 65 ? 24.192 -23.366 -58.173 0.40 62.84 ? 65 GLU A OE2 1 +ATOM 507 O OE2 B GLU A 1 65 ? 24.301 -23.412 -58.190 0.60 63.36 ? 65 GLU A OE2 1 +ATOM 508 N N A PRO A 1 66 ? 28.985 -20.552 -55.866 0.40 50.05 ? 66 PRO A N 1 +ATOM 509 N N B PRO A 1 66 ? 29.052 -20.607 -55.933 0.60 50.14 ? 66 PRO A N 1 +ATOM 510 C CA A PRO A 1 66 ? 29.369 -20.934 -54.497 0.40 50.11 ? 66 PRO A CA 1 +ATOM 511 C CA B PRO A 1 66 ? 29.421 -21.000 -54.567 0.60 50.22 ? 66 PRO A CA 1 +ATOM 512 C C A PRO A 1 66 ? 28.173 -21.248 -53.614 0.40 49.77 ? 66 PRO A C 1 +ATOM 513 C C B PRO A 1 66 ? 28.216 -21.323 -53.700 0.60 49.97 ? 66 PRO A C 1 +ATOM 514 O O A PRO A 1 66 ? 27.165 -20.536 -53.604 0.40 48.65 ? 66 PRO A O 1 +ATOM 515 O O B PRO A 1 66 ? 27.180 -20.656 -53.755 0.60 49.88 ? 66 PRO A O 1 +ATOM 516 C CB A PRO A 1 66 ? 30.125 -19.700 -53.985 0.40 47.31 ? 66 PRO A CB 1 +ATOM 517 C CB B PRO A 1 66 ? 30.166 -19.767 -54.037 0.60 47.45 ? 66 PRO A CB 1 +ATOM 518 C CG A PRO A 1 66 ? 30.640 -19.026 -55.271 0.40 46.95 ? 66 PRO A CG 1 +ATOM 519 C CG B PRO A 1 66 ? 30.641 -19.053 -55.287 0.60 46.93 ? 66 PRO A CG 1 +ATOM 520 C CD A PRO A 1 66 ? 29.486 -19.211 -56.226 0.40 44.30 ? 66 PRO A CD 1 +ATOM 521 C CD B PRO A 1 66 ? 29.501 -19.237 -56.242 0.60 44.25 ? 66 PRO A CD 1 +ATOM 522 N N A VAL A 1 67 ? 28.314 -22.319 -52.847 0.40 45.12 ? 67 VAL A N 1 +ATOM 523 N N B VAL A 1 67 ? 28.381 -22.344 -52.868 0.60 45.08 ? 67 VAL A N 1 +ATOM 524 C CA A VAL A 1 67 ? 27.298 -22.769 -51.912 0.40 40.92 ? 67 VAL A CA 1 +ATOM 525 C CA B VAL A 1 67 ? 27.359 -22.783 -51.930 0.60 40.84 ? 67 VAL A CA 1 +ATOM 526 C C A VAL A 1 67 ? 27.728 -22.347 -50.515 0.40 43.89 ? 67 VAL A C 1 +ATOM 527 C C B VAL A 1 67 ? 27.785 -22.350 -50.536 0.60 43.89 ? 67 VAL A C 1 +ATOM 528 O O A VAL A 1 67 ? 28.871 -22.584 -50.102 0.40 46.42 ? 67 VAL A O 1 +ATOM 529 O O B VAL A 1 67 ? 28.938 -22.557 -50.137 0.60 46.56 ? 67 VAL A O 1 +ATOM 530 C CB A VAL A 1 67 ? 27.103 -24.293 -52.010 0.40 45.95 ? 67 VAL A CB 1 +ATOM 531 C CB B VAL A 1 67 ? 27.151 -24.306 -52.025 0.60 46.03 ? 67 VAL A CB 1 +ATOM 532 C CG1 A VAL A 1 67 ? 26.176 -24.818 -50.883 0.40 41.15 ? 67 VAL A CG1 1 +ATOM 533 C CG1 B VAL A 1 67 ? 26.331 -24.840 -50.842 0.60 40.89 ? 67 VAL A CG1 1 +ATOM 534 C CG2 A VAL A 1 67 ? 26.573 -24.658 -53.405 0.40 39.50 ? 67 VAL A CG2 1 +ATOM 535 C CG2 B VAL A 1 67 ? 26.483 -24.634 -53.347 0.60 39.41 ? 67 VAL A CG2 1 +ATOM 536 N N A SER A 1 68 ? 26.819 -21.735 -49.785 0.40 41.70 ? 68 SER A N 1 +ATOM 537 N N B SER A 1 68 ? 26.870 -21.739 -49.802 0.60 41.54 ? 68 SER A N 1 +ATOM 538 C CA A SER A 1 68 ? 27.119 -21.244 -48.448 0.40 44.18 ? 68 SER A CA 1 +ATOM 539 C CA B SER A 1 68 ? 27.172 -21.268 -48.459 0.60 44.18 ? 68 SER A CA 1 +ATOM 540 C C A SER A 1 68 ? 26.911 -22.356 -47.429 0.40 45.17 ? 68 SER A C 1 +ATOM 541 C C B SER A 1 68 ? 26.924 -22.383 -47.454 0.60 45.15 ? 68 SER A C 1 +ATOM 542 O O A SER A 1 68 ? 25.821 -22.930 -47.343 0.40 46.51 ? 68 SER A O 1 +ATOM 543 O O B SER A 1 68 ? 25.813 -22.918 -47.377 0.60 46.54 ? 68 SER A O 1 +ATOM 544 C CB A SER A 1 68 ? 26.252 -20.036 -48.105 0.40 46.37 ? 68 SER A CB 1 +ATOM 545 C CB B SER A 1 68 ? 26.329 -20.043 -48.112 0.60 46.48 ? 68 SER A CB 1 +ATOM 546 O OG A SER A 1 68 ? 26.396 -19.767 -46.731 0.40 53.73 ? 68 SER A OG 1 +ATOM 547 O OG B SER A 1 68 ? 26.461 -19.768 -46.735 0.60 53.92 ? 68 SER A OG 1 +ATOM 548 N N A GLY A 1 69 ? 27.955 -22.665 -46.669 0.40 45.63 ? 69 GLY A N 1 +ATOM 549 N N B GLY A 1 69 ? 27.951 -22.722 -46.677 0.60 45.68 ? 69 GLY A N 1 +ATOM 550 C CA A GLY A 1 69 ? 27.892 -23.739 -45.695 0.40 41.20 ? 69 GLY A CA 1 +ATOM 551 C CA B GLY A 1 69 ? 27.819 -23.754 -45.665 0.60 41.08 ? 69 GLY A CA 1 +ATOM 552 C C A GLY A 1 69 ? 27.932 -23.308 -44.232 0.40 46.70 ? 69 GLY A C 1 +ATOM 553 C C B GLY A 1 69 ? 27.925 -23.318 -44.207 0.60 46.77 ? 69 GLY A C 1 +ATOM 554 O O A GLY A 1 69 ? 27.518 -24.076 -43.376 0.40 47.38 ? 69 GLY A O 1 +ATOM 555 O O B GLY A 1 69 ? 27.550 -24.087 -43.327 0.60 47.68 ? 69 GLY A O 1 +ATOM 556 N N . SER A 1 70 ? 28.424 -22.116 -43.911 1.00 38.99 ? 70 SER A N 1 +ATOM 557 C CA . SER A 1 70 ? 28.716 -21.783 -42.525 1.00 44.14 ? 70 SER A CA 1 +ATOM 558 C C . SER A 1 70 ? 27.599 -20.977 -41.844 1.00 41.35 ? 70 SER A C 1 +ATOM 559 O O . SER A 1 70 ? 26.737 -20.373 -42.489 1.00 40.64 ? 70 SER A O 1 +ATOM 560 C CB . SER A 1 70 ? 30.047 -21.031 -42.423 1.00 44.93 ? 70 SER A CB 1 +ATOM 561 O OG . SER A 1 70 ? 29.923 -19.725 -42.941 1.00 48.80 ? 70 SER A OG 1 +ATOM 562 N N . LEU A 1 71 ? 27.638 -20.988 -40.508 1.00 41.12 ? 71 LEU A N 1 +ATOM 563 C CA . LEU A 1 71 ? 26.620 -20.311 -39.703 1.00 46.83 ? 71 LEU A CA 1 +ATOM 564 C C . LEU A 1 71 ? 26.590 -18.804 -39.959 1.00 50.55 ? 71 LEU A C 1 +ATOM 565 O O . LEU A 1 71 ? 25.508 -18.216 -40.073 1.00 50.16 ? 71 LEU A O 1 +ATOM 566 C CB . LEU A 1 71 ? 26.860 -20.582 -38.212 1.00 49.48 ? 71 LEU A CB 1 +ATOM 567 C CG . LEU A 1 71 ? 26.752 -22.037 -37.767 1.00 49.99 ? 71 LEU A CG 1 +ATOM 568 C CD1 . LEU A 1 71 ? 26.962 -22.141 -36.261 1.00 46.83 ? 71 LEU A CD1 1 +ATOM 569 C CD2 . LEU A 1 71 ? 25.393 -22.602 -38.188 1.00 43.73 ? 71 LEU A CD2 1 +ATOM 570 N N . LEU A 1 72 ? 27.763 -18.154 -40.029 1.00 43.27 ? 72 LEU A N 1 +ATOM 571 C CA . LEU A 1 72 ? 27.783 -16.708 -40.227 1.00 46.87 ? 72 LEU A CA 1 +ATOM 572 C C . LEU A 1 72 ? 27.274 -16.293 -41.606 1.00 51.14 ? 72 LEU A C 1 +ATOM 573 O O . LEU A 1 72 ? 26.883 -15.139 -41.787 1.00 49.64 ? 72 LEU A O 1 +ATOM 574 C CB . LEU A 1 72 ? 29.191 -16.152 -40.009 1.00 47.79 ? 72 LEU A CB 1 +ATOM 575 C CG . LEU A 1 72 ? 29.592 -16.083 -38.531 1.00 75.46 ? 72 LEU A CG 1 +ATOM 576 C CD1 . LEU A 1 72 ? 31.078 -15.741 -38.358 1.00 60.98 ? 72 LEU A CD1 1 +ATOM 577 C CD2 . LEU A 1 72 ? 28.675 -15.118 -37.752 1.00 52.42 ? 72 LEU A CD2 1 +ATOM 578 N N . TYR A 1 73 ? 27.251 -17.202 -42.575 1.00 45.27 ? 73 TYR A N 1 +ATOM 579 C CA . TYR A 1 73 ? 26.761 -16.884 -43.916 1.00 47.31 ? 73 TYR A CA 1 +ATOM 580 C C . TYR A 1 73 ? 25.366 -17.433 -44.159 1.00 53.27 ? 73 TYR A C 1 +ATOM 581 O O . TYR A 1 73 ? 25.049 -17.867 -45.265 1.00 47.65 ? 73 TYR A O 1 +ATOM 582 C CB . TYR A 1 73 ? 27.726 -17.397 -44.973 1.00 42.61 ? 73 TYR A CB 1 +ATOM 583 C CG . TYR A 1 73 ? 29.004 -16.602 -45.058 1.00 51.89 ? 73 TYR A CG 1 +ATOM 584 C CD1 . TYR A 1 73 ? 29.992 -16.739 -44.087 1.00 49.50 ? 73 TYR A CD1 1 +ATOM 585 C CD2 . TYR A 1 73 ? 29.233 -15.716 -46.116 1.00 48.54 ? 73 TYR A CD2 1 +ATOM 586 C CE1 . TYR A 1 73 ? 31.173 -16.018 -44.164 1.00 60.75 ? 73 TYR A CE1 1 +ATOM 587 C CE2 . TYR A 1 73 ? 30.410 -14.987 -46.199 1.00 50.89 ? 73 TYR A CE2 1 +ATOM 588 C CZ . TYR A 1 73 ? 31.375 -15.141 -45.223 1.00 58.91 ? 73 TYR A CZ 1 +ATOM 589 O OH . TYR A 1 73 ? 32.541 -14.423 -45.290 1.00 58.75 ? 73 TYR A OH 1 +ATOM 590 N N . GLY A 1 74 ? 24.515 -17.429 -43.139 1.00 44.22 ? 74 GLY A N 1 +ATOM 591 C CA . GLY A 1 74 ? 23.111 -17.683 -43.342 1.00 46.42 ? 74 GLY A CA 1 +ATOM 592 C C . GLY A 1 74 ? 22.646 -19.102 -43.114 1.00 53.47 ? 74 GLY A C 1 +ATOM 593 O O . GLY A 1 74 ? 21.575 -19.458 -43.605 1.00 51.02 ? 74 GLY A O 1 +ATOM 594 N N . ASN A 1 75 ? 23.400 -19.916 -42.381 1.00 45.49 ? 75 ASN A N 1 +ATOM 595 C CA . ASN A 1 75 ? 23.027 -21.299 -42.140 1.00 37.40 ? 75 ASN A CA 1 +ATOM 596 C C . ASN A 1 75 ? 22.643 -21.496 -40.679 1.00 44.08 ? 75 ASN A C 1 +ATOM 597 O O . ASN A 1 75 ? 23.088 -20.760 -39.794 1.00 41.91 ? 75 ASN A O 1 +ATOM 598 C CB . ASN A 1 75 ? 24.172 -22.239 -42.505 1.00 39.26 ? 75 ASN A CB 1 +ATOM 599 C CG . ASN A 1 75 ? 24.269 -22.472 -43.995 1.00 46.62 ? 75 ASN A CG 1 +ATOM 600 O OD1 . ASN A 1 75 ? 23.511 -23.270 -44.551 1.00 43.91 ? 75 ASN A OD1 1 +ATOM 601 N ND2 . ASN A 1 75 ? 25.201 -21.785 -44.655 1.00 42.08 ? 75 ASN A ND2 1 +ATOM 602 N N . ASN A 1 76 ? 21.795 -22.484 -40.435 1.00 46.52 ? 76 ASN A N 1 +ATOM 603 C CA . ASN A 1 76 ? 21.564 -22.980 -39.091 1.00 43.94 ? 76 ASN A CA 1 +ATOM 604 C C . ASN A 1 76 ? 22.264 -24.335 -38.952 1.00 40.04 ? 76 ASN A C 1 +ATOM 605 O O . ASN A 1 76 ? 22.984 -24.785 -39.848 1.00 41.84 ? 76 ASN A O 1 +ATOM 606 C CB . ASN A 1 76 ? 20.059 -23.017 -38.763 1.00 38.90 ? 76 ASN A CB 1 +ATOM 607 C CG . ASN A 1 76 ? 19.242 -23.939 -39.689 1.00 44.48 ? 76 ASN A CG 1 +ATOM 608 O OD1 . ASN A 1 76 ? 19.696 -25.016 -40.099 1.00 44.36 ? 76 ASN A OD1 1 +ATOM 609 N ND2 . ASN A 1 76 ? 18.010 -23.525 -39.988 1.00 38.49 ? 76 ASN A ND2 1 +ATOM 610 N N . ILE A 1 77 ? 22.082 -24.964 -37.790 1.00 42.31 ? 77 ILE A N 1 +ATOM 611 C CA . ILE A 1 77 ? 22.734 -26.238 -37.503 1.00 43.28 ? 77 ILE A CA 1 +ATOM 612 C C . ILE A 1 77 ? 22.316 -27.311 -38.500 1.00 48.68 ? 77 ILE A C 1 +ATOM 613 O O . ILE A 1 77 ? 23.111 -28.197 -38.852 1.00 43.97 ? 77 ILE A O 1 +ATOM 614 C CB . ILE A 1 77 ? 22.411 -26.660 -36.050 1.00 42.80 ? 77 ILE A CB 1 +ATOM 615 C CG1 . ILE A 1 77 ? 23.058 -25.702 -35.053 1.00 47.60 ? 77 ILE A CG1 1 +ATOM 616 C CG2 . ILE A 1 77 ? 22.891 -28.083 -35.769 1.00 42.01 ? 77 ILE A CG2 1 +ATOM 617 C CD1 . ILE A 1 77 ? 24.559 -25.854 -34.995 1.00 56.45 ? 77 ILE A CD1 1 +ATOM 618 N N . ILE A 1 78 ? 21.070 -27.265 -38.962 1.00 43.99 ? 78 ILE A N 1 +ATOM 619 C CA . ILE A 1 78 ? 20.573 -28.312 -39.851 1.00 43.39 ? 78 ILE A CA 1 +ATOM 620 C C . ILE A 1 78 ? 21.059 -28.112 -41.284 1.00 43.36 ? 78 ILE A C 1 +ATOM 621 O O . ILE A 1 78 ? 21.376 -29.080 -41.973 1.00 46.39 ? 78 ILE A O 1 +ATOM 622 C CB . ILE A 1 78 ? 19.035 -28.381 -39.780 1.00 44.00 ? 78 ILE A CB 1 +ATOM 623 C CG1 . ILE A 1 78 ? 18.592 -28.644 -38.326 1.00 45.44 ? 78 ILE A CG1 1 +ATOM 624 C CG2 . ILE A 1 78 ? 18.494 -29.415 -40.792 1.00 42.68 ? 78 ILE A CG2 1 +ATOM 625 C CD1 . ILE A 1 78 ? 19.016 -30.000 -37.764 1.00 36.54 ? 78 ILE A CD1 1 +ATOM 626 N N A THR A 1 79 ? 21.138 -26.864 -41.756 0.40 42.28 ? 79 THR A N 1 +ATOM 627 N N B THR A 1 79 ? 21.114 -26.868 -41.771 0.60 42.32 ? 79 THR A N 1 +ATOM 628 C CA A THR A 1 79 ? 21.524 -26.642 -43.144 0.40 43.80 ? 79 THR A CA 1 +ATOM 629 C CA B THR A 1 79 ? 21.523 -26.654 -43.154 0.60 43.87 ? 79 THR A CA 1 +ATOM 630 C C A THR A 1 79 ? 23.029 -26.465 -43.325 0.40 44.52 ? 79 THR A C 1 +ATOM 631 C C B THR A 1 79 ? 23.030 -26.473 -43.310 0.60 44.65 ? 79 THR A C 1 +ATOM 632 O O A THR A 1 79 ? 23.524 -26.611 -44.453 0.40 43.56 ? 79 THR A O 1 +ATOM 633 O O B THR A 1 79 ? 23.539 -26.584 -44.432 0.60 43.62 ? 79 THR A O 1 +ATOM 634 C CB A THR A 1 79 ? 20.778 -25.420 -43.719 0.40 42.15 ? 79 THR A CB 1 +ATOM 635 C CB B THR A 1 79 ? 20.788 -25.441 -43.760 0.60 42.14 ? 79 THR A CB 1 +ATOM 636 O OG1 A THR A 1 79 ? 21.295 -24.202 -43.153 0.40 42.97 ? 79 THR A OG1 1 +ATOM 637 O OG1 B THR A 1 79 ? 21.306 -24.221 -43.214 0.60 42.96 ? 79 THR A OG1 1 +ATOM 638 C CG2 A THR A 1 79 ? 19.296 -25.496 -43.387 0.40 43.96 ? 79 THR A CG2 1 +ATOM 639 C CG2 B THR A 1 79 ? 19.295 -25.515 -43.466 0.60 44.01 ? 79 THR A CG2 1 +ATOM 640 N N A GLY A 1 80 ? 23.761 -26.179 -42.249 0.40 40.70 ? 80 GLY A N 1 +ATOM 641 N N B GLY A 1 80 ? 23.751 -26.229 -42.219 0.60 40.64 ? 80 GLY A N 1 +ATOM 642 C CA A GLY A 1 80 ? 25.170 -25.872 -42.377 0.40 41.22 ? 80 GLY A CA 1 +ATOM 643 C CA B GLY A 1 80 ? 25.166 -25.925 -42.323 0.60 41.29 ? 80 GLY A CA 1 +ATOM 644 C C A GLY A 1 80 ? 26.012 -27.077 -42.749 0.40 42.50 ? 80 GLY A C 1 +ATOM 645 C C B GLY A 1 80 ? 25.999 -27.129 -42.723 0.60 42.63 ? 80 GLY A C 1 +ATOM 646 O O A GLY A 1 80 ? 25.680 -28.228 -42.451 0.40 43.30 ? 80 GLY A O 1 +ATOM 647 O O B GLY A 1 80 ? 25.651 -28.278 -42.453 0.60 43.43 ? 80 GLY A O 1 +ATOM 648 N N A ALA A 1 81 ? 27.149 -26.798 -43.378 0.40 37.16 ? 81 ALA A N 1 +ATOM 649 N N B ALA A 1 81 ? 27.142 -26.848 -43.346 0.60 37.01 ? 81 ALA A N 1 +ATOM 650 C CA A ALA A 1 81 ? 28.075 -27.849 -43.782 0.40 45.41 ? 81 ALA A CA 1 +ATOM 651 C CA B ALA A 1 81 ? 28.062 -27.893 -43.784 0.60 45.56 ? 81 ALA A CA 1 +ATOM 652 C C A ALA A 1 81 ? 29.457 -27.260 -43.995 0.40 45.94 ? 81 ALA A C 1 +ATOM 653 C C B ALA A 1 81 ? 29.444 -27.295 -44.007 0.60 46.11 ? 81 ALA A C 1 +ATOM 654 O O A ALA A 1 81 ? 29.606 -26.073 -44.309 0.40 44.25 ? 81 ALA A O 1 +ATOM 655 O O B ALA A 1 81 ? 29.588 -26.094 -44.248 0.60 44.37 ? 81 ALA A O 1 +ATOM 656 C CB A ALA A 1 81 ? 27.622 -28.538 -45.082 0.40 38.58 ? 81 ALA A CB 1 +ATOM 657 C CB B ALA A 1 81 ? 27.583 -28.563 -45.085 0.60 38.48 ? 81 ALA A CB 1 +ATOM 658 N N A VAL A 1 82 ? 30.471 -28.116 -43.889 0.40 42.14 ? 82 VAL A N 1 +ATOM 659 N N B VAL A 1 82 ? 30.460 -28.153 -43.940 0.60 42.29 ? 82 VAL A N 1 +ATOM 660 C CA A VAL A 1 82 ? 31.721 -27.855 -44.594 0.40 39.81 ? 82 VAL A CA 1 +ATOM 661 C CA B VAL A 1 82 ? 31.719 -27.882 -44.620 0.60 39.70 ? 82 VAL A CA 1 +ATOM 662 C C A VAL A 1 82 ? 31.566 -28.452 -45.984 0.40 40.92 ? 82 VAL A C 1 +ATOM 663 C C B VAL A 1 82 ? 31.606 -28.474 -46.019 0.60 40.93 ? 82 VAL A C 1 +ATOM 664 O O A VAL A 1 82 ? 31.239 -29.634 -46.131 0.40 41.73 ? 82 VAL A O 1 +ATOM 665 O O B VAL A 1 82 ? 31.416 -29.680 -46.185 0.60 42.09 ? 82 VAL A O 1 +ATOM 666 C CB A VAL A 1 82 ? 32.947 -28.416 -43.855 0.40 47.46 ? 82 VAL A CB 1 +ATOM 667 C CB B VAL A 1 82 ? 32.930 -28.443 -43.862 0.60 47.68 ? 82 VAL A CB 1 +ATOM 668 C CG1 A VAL A 1 82 ? 34.210 -28.086 -44.657 0.40 37.05 ? 82 VAL A CG1 1 +ATOM 669 C CG1 B VAL A 1 82 ? 34.209 -28.162 -44.651 0.60 37.00 ? 82 VAL A CG1 1 +ATOM 670 C CG2 A VAL A 1 82 ? 33.049 -27.807 -42.437 0.40 36.93 ? 82 VAL A CG2 1 +ATOM 671 C CG2 B VAL A 1 82 ? 33.032 -27.819 -42.446 0.60 36.88 ? 82 VAL A CG2 1 +ATOM 672 N N A VAL A 1 83 ? 31.740 -27.616 -47.000 0.40 46.28 ? 83 VAL A N 1 +ATOM 673 N N B VAL A 1 83 ? 31.694 -27.621 -47.028 0.60 46.47 ? 83 VAL A N 1 +ATOM 674 C CA A VAL A 1 83 ? 31.375 -27.949 -48.368 0.40 40.04 ? 83 VAL A CA 1 +ATOM 675 C CA B VAL A 1 83 ? 31.365 -27.959 -48.404 0.60 39.89 ? 83 VAL A CA 1 +ATOM 676 C C A VAL A 1 83 ? 32.550 -28.641 -49.048 0.40 48.81 ? 83 VAL A C 1 +ATOM 677 C C B VAL A 1 83 ? 32.534 -28.659 -49.079 0.60 49.08 ? 83 VAL A C 1 +ATOM 678 O O A VAL A 1 83 ? 33.693 -28.165 -48.925 0.40 46.69 ? 83 VAL A O 1 +ATOM 679 O O B VAL A 1 83 ? 33.669 -28.171 -48.985 0.60 46.86 ? 83 VAL A O 1 +ATOM 680 C CB A VAL A 1 83 ? 30.958 -26.685 -49.141 0.40 44.94 ? 83 VAL A CB 1 +ATOM 681 C CB B VAL A 1 83 ? 30.956 -26.696 -49.185 0.60 45.08 ? 83 VAL A CB 1 +ATOM 682 C CG1 A VAL A 1 83 ? 30.576 -27.036 -50.583 0.40 39.15 ? 83 VAL A CG1 1 +ATOM 683 C CG1 B VAL A 1 83 ? 30.534 -27.052 -50.620 0.60 39.01 ? 83 VAL A CG1 1 +ATOM 684 C CG2 A VAL A 1 83 ? 29.808 -25.980 -48.426 0.40 39.49 ? 83 VAL A CG2 1 +ATOM 685 C CG2 B VAL A 1 83 ? 29.876 -25.945 -48.429 0.60 39.43 ? 83 VAL A CG2 1 +ATOM 686 N N A PRO A 1 84 ? 32.308 -29.738 -49.783 0.40 47.22 ? 84 PRO A N 1 +ATOM 687 N N B PRO A 1 84 ? 32.292 -29.779 -49.780 0.60 47.26 ? 84 PRO A N 1 +ATOM 688 C CA A PRO A 1 84 ? 33.381 -30.413 -50.522 0.40 46.05 ? 84 PRO A CA 1 +ATOM 689 C CA B PRO A 1 84 ? 33.370 -30.468 -50.506 0.60 46.02 ? 84 PRO A CA 1 +ATOM 690 C C A PRO A 1 84 ? 34.137 -29.500 -51.484 0.40 50.57 ? 84 PRO A C 1 +ATOM 691 C C B PRO A 1 84 ? 34.096 -29.562 -51.492 0.60 50.80 ? 84 PRO A C 1 +ATOM 692 O O A PRO A 1 84 ? 33.632 -28.483 -51.975 0.40 45.49 ? 84 PRO A O 1 +ATOM 693 O O B PRO A 1 84 ? 33.545 -28.581 -51.991 0.60 45.55 ? 84 PRO A O 1 +ATOM 694 C CB A PRO A 1 84 ? 32.631 -31.517 -51.283 0.40 47.95 ? 84 PRO A CB 1 +ATOM 695 C CB B PRO A 1 84 ? 32.630 -31.598 -51.240 0.60 48.07 ? 84 PRO A CB 1 +ATOM 696 C CG A PRO A 1 84 ? 31.531 -31.898 -50.318 0.40 47.95 ? 84 PRO A CG 1 +ATOM 697 C CG B PRO A 1 84 ? 31.439 -31.862 -50.387 0.60 48.21 ? 84 PRO A CG 1 +ATOM 698 C CD A PRO A 1 84 ? 31.089 -30.568 -49.707 0.40 45.94 ? 84 PRO A CD 1 +ATOM 699 C CD B PRO A 1 84 ? 31.021 -30.525 -49.848 0.60 46.09 ? 84 PRO A CD 1 +ATOM 700 N N A SER A 1 85 ? 35.383 -29.885 -51.751 0.40 45.08 ? 85 SER A N 1 +ATOM 701 N N B SER A 1 85 ? 35.344 -29.920 -51.785 0.60 45.10 ? 85 SER A N 1 +ATOM 702 C CA A SER A 1 85 ? 36.239 -29.076 -52.599 0.40 47.17 ? 85 SER A CA 1 +ATOM 703 C CA B SER A 1 85 ? 36.190 -29.062 -52.600 0.60 47.21 ? 85 SER A CA 1 +ATOM 704 C C A SER A 1 85 ? 35.797 -29.145 -54.064 0.40 47.63 ? 85 SER A C 1 +ATOM 705 C C B SER A 1 85 ? 35.780 -29.114 -54.074 0.60 47.66 ? 85 SER A C 1 +ATOM 706 O O A SER A 1 85 ? 35.110 -30.079 -54.497 0.40 46.83 ? 85 SER A O 1 +ATOM 707 O O B SER A 1 85 ? 35.098 -30.038 -54.530 0.60 46.93 ? 85 SER A O 1 +ATOM 708 C CB A SER A 1 85 ? 37.687 -29.528 -52.453 0.40 47.45 ? 85 SER A CB 1 +ATOM 709 C CB B SER A 1 85 ? 37.653 -29.458 -52.423 0.60 47.58 ? 85 SER A CB 1 +ATOM 710 O OG A SER A 1 85 ? 37.811 -30.898 -52.744 0.40 53.69 ? 85 SER A OG 1 +ATOM 711 O OG B SER A 1 85 ? 37.872 -30.783 -52.834 0.60 53.81 ? 85 SER A OG 1 +ATOM 712 N N A SER A 1 86 ? 36.249 -28.154 -54.834 0.40 49.14 ? 86 SER A N 1 +ATOM 713 N N B SER A 1 86 ? 36.249 -28.114 -54.827 0.60 49.35 ? 86 SER A N 1 +ATOM 714 C CA A SER A 1 86 ? 35.706 -27.865 -56.160 0.40 42.27 ? 86 SER A CA 1 +ATOM 715 C CA B SER A 1 86 ? 35.725 -27.812 -56.160 0.60 42.20 ? 86 SER A CA 1 +ATOM 716 C C A SER A 1 86 ? 35.869 -29.024 -57.131 0.40 47.58 ? 86 SER A C 1 +ATOM 717 C C B SER A 1 86 ? 35.903 -28.964 -57.142 0.60 47.63 ? 86 SER A C 1 +ATOM 718 O O A SER A 1 86 ? 36.894 -29.711 -57.137 0.40 47.04 ? 86 SER A O 1 +ATOM 719 O O B SER A 1 86 ? 36.927 -29.660 -57.138 0.60 47.01 ? 86 SER A O 1 +ATOM 720 C CB A SER A 1 86 ? 36.390 -26.615 -56.731 0.40 44.20 ? 86 SER A CB 1 +ATOM 721 C CB B SER A 1 86 ? 36.421 -26.565 -56.713 0.60 44.17 ? 86 SER A CB 1 +ATOM 722 O OG A SER A 1 86 ? 36.002 -26.368 -58.073 0.40 45.33 ? 86 SER A OG 1 +ATOM 723 O OG B SER A 1 86 ? 36.134 -26.373 -58.088 0.60 45.40 ? 86 SER A OG 1 +ATOM 724 N N A ASN A 1 87 ? 34.856 -29.198 -57.992 0.40 46.40 ? 87 ASN A N 1 +ATOM 725 N N B ASN A 1 87 ? 34.904 -29.135 -58.021 0.60 46.45 ? 87 ASN A N 1 +ATOM 726 C CA A ASN A 1 87 ? 34.954 -30.152 -59.095 0.40 43.47 ? 87 ASN A CA 1 +ATOM 727 C CA B ASN A 1 87 ? 34.996 -30.128 -59.088 0.60 43.37 ? 87 ASN A CA 1 +ATOM 728 C C A ASN A 1 87 ? 36.112 -29.842 -60.034 0.40 46.05 ? 87 ASN A C 1 +ATOM 729 C C B ASN A 1 87 ? 36.116 -29.822 -60.066 0.60 46.09 ? 87 ASN A C 1 +ATOM 730 O O A ASN A 1 87 ? 36.593 -30.746 -60.734 0.40 46.10 ? 87 ASN A O 1 +ATOM 731 O O B ASN A 1 87 ? 36.584 -30.733 -60.758 0.60 46.15 ? 87 ASN A O 1 +ATOM 732 C CB A ASN A 1 87 ? 33.652 -30.181 -59.906 0.40 45.38 ? 87 ASN A CB 1 +ATOM 733 C CB B ASN A 1 87 ? 33.674 -30.222 -59.861 0.60 45.45 ? 87 ASN A CB 1 +ATOM 734 C CG A ASN A 1 87 ? 33.591 -31.365 -60.887 0.40 48.78 ? 87 ASN A CG 1 +ATOM 735 C CG B ASN A 1 87 ? 33.635 -31.415 -60.811 0.60 48.81 ? 87 ASN A CG 1 +ATOM 736 O OD1 A ASN A 1 87 ? 33.955 -32.496 -60.545 0.40 45.32 ? 87 ASN A OD1 1 +ATOM 737 O OD1 B ASN A 1 87 ? 33.994 -32.534 -60.430 0.60 45.15 ? 87 ASN A OD1 1 +ATOM 738 N ND2 A ASN A 1 87 ? 33.145 -31.097 -62.113 0.40 46.93 ? 87 ASN A ND2 1 +ATOM 739 N ND2 B ASN A 1 87 ? 33.219 -31.177 -62.064 0.60 47.20 ? 87 ASN A ND2 1 +ATOM 740 N N A ALA A 1 88 ? 36.553 -28.583 -60.100 0.40 48.60 ? 88 ALA A N 1 +ATOM 741 N N B ALA A 1 88 ? 36.544 -28.561 -60.164 0.60 48.86 ? 88 ALA A N 1 +ATOM 742 C CA A ALA A 1 88 ? 37.673 -28.262 -60.986 0.40 46.31 ? 88 ALA A CA 1 +ATOM 743 C CA B ALA A 1 88 ? 37.672 -28.255 -61.034 0.60 46.30 ? 88 ALA A CA 1 +ATOM 744 C C A ALA A 1 88 ? 38.971 -28.873 -60.486 0.40 46.92 ? 88 ALA A C 1 +ATOM 745 C C B ALA A 1 88 ? 38.957 -28.902 -60.536 0.60 47.02 ? 88 ALA A C 1 +ATOM 746 O O A ALA A 1 88 ? 39.880 -29.117 -61.282 0.40 44.04 ? 88 ALA A O 1 +ATOM 747 O O B ALA A 1 88 ? 39.855 -29.161 -61.340 0.60 43.96 ? 88 ALA A O 1 +ATOM 748 C CB A ALA A 1 88 ? 37.830 -26.742 -61.129 0.40 43.78 ? 88 ALA A CB 1 +ATOM 749 C CB B ALA A 1 88 ? 37.845 -26.739 -61.159 0.60 43.69 ? 88 ALA A CB 1 +ATOM 750 N N A ILE A 1 89 ? 39.056 -29.143 -59.183 0.40 42.37 ? 89 ILE A N 1 +ATOM 751 N N B ILE A 1 89 ? 39.030 -29.210 -59.240 0.60 42.21 ? 89 ILE A N 1 +ATOM 752 C CA A ILE A 1 89 ? 40.238 -29.743 -58.578 0.40 44.21 ? 89 ILE A CA 1 +ATOM 753 C CA B ILE A 1 89 ? 40.211 -29.814 -58.625 0.60 44.02 ? 89 ILE A CA 1 +ATOM 754 C C A ILE A 1 89 ? 40.212 -31.255 -58.760 0.40 43.50 ? 89 ILE A C 1 +ATOM 755 C C B ILE A 1 89 ? 40.210 -31.326 -58.809 0.60 43.57 ? 89 ILE A C 1 +ATOM 756 O O A ILE A 1 89 ? 41.267 -31.902 -58.858 0.40 46.71 ? 89 ILE A O 1 +ATOM 757 O O B ILE A 1 89 ? 41.278 -31.957 -58.854 0.60 46.65 ? 89 ILE A O 1 +ATOM 758 C CB A ILE A 1 89 ? 40.284 -29.335 -57.083 0.40 45.60 ? 89 ILE A CB 1 +ATOM 759 C CB B ILE A 1 89 ? 40.248 -29.418 -57.128 0.60 45.66 ? 89 ILE A CB 1 +ATOM 760 C CG1 A ILE A 1 89 ? 40.599 -27.848 -56.937 0.40 44.47 ? 89 ILE A CG1 1 +ATOM 761 C CG1 B ILE A 1 89 ? 40.534 -27.924 -56.973 0.60 44.31 ? 89 ILE A CG1 1 +ATOM 762 C CG2 A ILE A 1 89 ? 41.271 -30.195 -56.261 0.40 46.42 ? 89 ILE A CG2 1 +ATOM 763 C CG2 B ILE A 1 89 ? 41.250 -30.268 -56.306 0.60 46.54 ? 89 ILE A CG2 1 +ATOM 764 C CD1 A ILE A 1 89 ? 40.424 -27.329 -55.497 0.40 51.43 ? 89 ILE A CD1 1 +ATOM 765 C CD1 B ILE A 1 89 ? 40.378 -27.435 -55.533 0.60 51.62 ? 89 ILE A CD1 1 +ATOM 766 N N A GLY A 1 90 ? 39.017 -31.841 -58.825 0.40 53.73 ? 90 GLY A N 1 +ATOM 767 N N B GLY A 1 90 ? 39.023 -31.928 -58.916 0.60 54.18 ? 90 GLY A N 1 +ATOM 768 C CA A GLY A 1 90 ? 38.904 -33.280 -59.017 0.40 41.55 ? 90 GLY A CA 1 +ATOM 769 C CA B GLY A 1 90 ? 38.928 -33.368 -59.084 0.60 41.35 ? 90 GLY A CA 1 +ATOM 770 C C A GLY A 1 90 ? 39.546 -34.014 -57.854 0.40 47.14 ? 90 GLY A C 1 +ATOM 771 C C B GLY A 1 90 ? 39.567 -34.075 -57.910 0.60 47.19 ? 90 GLY A C 1 +ATOM 772 O O A GLY A 1 90 ? 39.245 -33.756 -56.682 0.40 47.11 ? 90 GLY A O 1 +ATOM 773 O O B GLY A 1 90 ? 39.233 -33.825 -56.746 0.60 47.34 ? 90 GLY A O 1 +ATOM 774 N N A LEU A 1 91 ? 40.480 -34.902 -58.171 0.40 43.31 ? 91 LEU A N 1 +ATOM 775 N N B LEU A 1 91 ? 40.533 -34.937 -58.212 0.60 43.21 ? 91 LEU A N 1 +ATOM 776 C CA A LEU A 1 91 ? 41.241 -35.631 -57.167 0.40 43.44 ? 91 LEU A CA 1 +ATOM 777 C CA B LEU A 1 91 ? 41.283 -35.669 -57.203 0.60 43.36 ? 91 LEU A CA 1 +ATOM 778 C C A LEU A 1 91 ? 42.619 -35.038 -56.915 0.40 46.60 ? 91 LEU A C 1 +ATOM 779 C C B LEU A 1 91 ? 42.659 -35.069 -56.943 0.60 46.61 ? 91 LEU A C 1 +ATOM 780 O O A LEU A 1 91 ? 43.443 -35.693 -56.272 0.40 52.30 ? 91 LEU A O 1 +ATOM 781 O O B LEU A 1 91 ? 43.476 -35.700 -56.265 0.60 52.54 ? 91 LEU A O 1 +ATOM 782 C CB A LEU A 1 91 ? 41.392 -37.095 -57.571 0.40 43.43 ? 91 LEU A CB 1 +ATOM 783 C CB B LEU A 1 91 ? 41.419 -37.136 -57.612 0.60 43.34 ? 91 LEU A CB 1 +ATOM 784 C CG A LEU A 1 91 ? 40.098 -37.903 -57.650 0.40 51.99 ? 91 LEU A CG 1 +ATOM 785 C CG B LEU A 1 91 ? 40.122 -37.948 -57.641 0.60 52.24 ? 91 LEU A CG 1 +ATOM 786 C CD1 A LEU A 1 91 ? 40.336 -39.295 -58.283 0.40 46.05 ? 91 LEU A CD1 1 +ATOM 787 C CD1 B LEU A 1 91 ? 40.373 -39.367 -58.160 0.60 46.14 ? 91 LEU A CD1 1 +ATOM 788 C CD2 A LEU A 1 91 ? 39.483 -38.031 -56.256 0.40 42.14 ? 91 LEU A CD2 1 +ATOM 789 C CD2 B LEU A 1 91 ? 39.470 -37.976 -56.252 0.60 42.05 ? 91 LEU A CD2 1 +ATOM 790 N N A HIS A 1 92 ? 42.904 -33.837 -57.418 0.40 47.03 ? 92 HIS A N 1 +ATOM 791 N N B HIS A 1 92 ? 42.933 -33.866 -57.445 0.60 47.19 ? 92 HIS A N 1 +ATOM 792 C CA A HIS A 1 92 ? 44.199 -33.227 -57.145 0.40 44.24 ? 92 HIS A CA 1 +ATOM 793 C CA B HIS A 1 92 ? 44.214 -33.234 -57.161 0.60 44.20 ? 92 HIS A CA 1 +ATOM 794 C C A HIS A 1 92 ? 44.328 -32.872 -55.665 0.40 47.92 ? 92 HIS A C 1 +ATOM 795 C C B HIS A 1 92 ? 44.341 -32.895 -55.676 0.60 47.98 ? 92 HIS A C 1 +ATOM 796 O O A HIS A 1 92 ? 43.360 -32.470 -55.013 0.40 46.22 ? 92 HIS A O 1 +ATOM 797 O O B HIS A 1 92 ? 43.360 -32.600 -54.989 0.60 46.23 ? 92 HIS A O 1 +ATOM 798 C CB A HIS A 1 92 ? 44.404 -31.984 -57.998 0.40 40.04 ? 92 HIS A CB 1 +ATOM 799 C CB B HIS A 1 92 ? 44.398 -31.981 -58.003 0.60 39.78 ? 92 HIS A CB 1 +ATOM 800 C CG A HIS A 1 92 ? 44.740 -32.262 -59.428 0.40 47.88 ? 92 HIS A CG 1 +ATOM 801 C CG B HIS A 1 92 ? 44.754 -32.255 -59.430 0.60 47.91 ? 92 HIS A CG 1 +ATOM 802 N ND1 A HIS A 1 92 ? 45.888 -31.785 -60.027 0.40 53.74 ? 92 HIS A ND1 1 +ATOM 803 N ND1 B HIS A 1 92 ? 45.925 -31.807 -60.005 0.60 53.92 ? 92 HIS A ND1 1 +ATOM 804 C CD2 A HIS A 1 92 ? 44.066 -32.933 -60.393 0.40 47.40 ? 92 HIS A CD2 1 +ATOM 805 C CD2 B HIS A 1 92 ? 44.088 -32.916 -60.404 0.60 47.43 ? 92 HIS A CD2 1 +ATOM 806 C CE1 A HIS A 1 92 ? 45.911 -32.156 -61.296 0.40 51.89 ? 92 HIS A CE1 1 +ATOM 807 C CE1 B HIS A 1 92 ? 45.971 -32.191 -61.268 0.60 51.92 ? 92 HIS A CE1 1 +ATOM 808 N NE2 A HIS A 1 92 ? 44.816 -32.853 -61.545 0.40 48.90 ? 92 HIS A NE2 1 +ATOM 809 N NE2 B HIS A 1 92 ? 44.868 -32.867 -61.536 0.60 48.90 ? 92 HIS A NE2 1 +ATOM 810 N N A PHE A 1 93 ? 45.534 -33.062 -55.134 0.40 48.27 ? 93 PHE A N 1 +ATOM 811 N N B PHE A 1 93 ? 45.575 -32.974 -55.186 0.60 48.38 ? 93 PHE A N 1 +ATOM 812 C CA A PHE A 1 93 ? 45.865 -32.685 -53.764 0.40 48.89 ? 93 PHE A CA 1 +ATOM 813 C CA B PHE A 1 93 ? 45.913 -32.642 -53.808 0.60 48.89 ? 93 PHE A CA 1 +ATOM 814 C C A PHE A 1 93 ? 45.924 -31.164 -53.643 0.40 52.20 ? 93 PHE A C 1 +ATOM 815 C C B PHE A 1 93 ? 45.984 -31.125 -53.657 0.60 52.34 ? 93 PHE A C 1 +ATOM 816 O O A PHE A 1 93 ? 46.628 -30.502 -54.416 0.40 47.54 ? 93 PHE A O 1 +ATOM 817 O O B PHE A 1 93 ? 46.712 -30.459 -54.402 0.60 47.61 ? 93 PHE A O 1 +ATOM 818 C CB A PHE A 1 93 ? 47.210 -33.310 -53.401 0.40 50.87 ? 93 PHE A CB 1 +ATOM 819 C CB B PHE A 1 93 ? 47.252 -33.292 -53.459 0.60 50.81 ? 93 PHE A CB 1 +ATOM 820 C CG A PHE A 1 93 ? 47.587 -33.207 -51.945 0.40 54.47 ? 93 PHE A CG 1 +ATOM 821 C CG B PHE A 1 93 ? 47.633 -33.209 -52.006 0.60 54.55 ? 93 PHE A CG 1 +ATOM 822 C CD1 A PHE A 1 93 ? 46.767 -33.724 -50.962 0.40 55.12 ? 93 PHE A CD1 1 +ATOM 823 C CD1 B PHE A 1 93 ? 46.793 -33.694 -51.023 0.60 55.09 ? 93 PHE A CD1 1 +ATOM 824 C CD2 A PHE A 1 93 ? 48.808 -32.658 -51.574 0.40 59.92 ? 93 PHE A CD2 1 +ATOM 825 C CD2 B PHE A 1 93 ? 48.869 -32.699 -51.634 0.60 59.91 ? 93 PHE A CD2 1 +ATOM 826 C CE1 A PHE A 1 93 ? 47.139 -33.662 -49.626 0.40 61.76 ? 93 PHE A CE1 1 +ATOM 827 C CE1 B PHE A 1 93 ? 47.158 -33.641 -49.691 0.60 61.89 ? 93 PHE A CE1 1 +ATOM 828 C CE2 A PHE A 1 93 ? 49.188 -32.594 -50.243 0.40 64.50 ? 93 PHE A CE2 1 +ATOM 829 C CE2 B PHE A 1 93 ? 49.246 -32.647 -50.304 0.60 64.58 ? 93 PHE A CE2 1 +ATOM 830 C CZ A PHE A 1 93 ? 48.350 -33.088 -49.270 0.40 60.88 ? 93 PHE A CZ 1 +ATOM 831 C CZ B PHE A 1 93 ? 48.387 -33.114 -49.332 0.60 60.92 ? 93 PHE A CZ 1 +ATOM 832 N N A TYR A 1 94 ? 45.199 -30.599 -52.670 0.40 48.51 ? 94 TYR A N 1 +ATOM 833 N N B TYR A 1 94 ? 45.244 -30.575 -52.688 0.60 48.58 ? 94 TYR A N 1 +ATOM 834 C CA A TYR A 1 94 ? 45.054 -29.144 -52.548 0.40 48.61 ? 94 TYR A CA 1 +ATOM 835 C CA B TYR A 1 94 ? 45.079 -29.123 -52.555 0.60 48.61 ? 94 TYR A CA 1 +ATOM 836 C C A TYR A 1 94 ? 45.341 -28.677 -51.124 0.40 49.08 ? 94 TYR A C 1 +ATOM 837 C C B TYR A 1 94 ? 45.352 -28.676 -51.125 0.60 49.12 ? 94 TYR A C 1 +ATOM 838 O O A TYR A 1 94 ? 44.442 -28.206 -50.422 0.40 45.63 ? 94 TYR A O 1 +ATOM 839 O O B TYR A 1 94 ? 44.449 -28.219 -50.415 0.60 45.59 ? 94 TYR A O 1 +ATOM 840 C CB A TYR A 1 94 ? 43.650 -28.719 -52.978 0.40 46.03 ? 94 TYR A CB 1 +ATOM 841 C CB B TYR A 1 94 ? 43.675 -28.706 -52.993 0.60 45.99 ? 94 TYR A CB 1 +ATOM 842 C CG A TYR A 1 94 ? 43.454 -27.240 -53.207 0.40 45.70 ? 94 TYR A CG 1 +ATOM 843 C CG B TYR A 1 94 ? 43.465 -27.229 -53.220 0.60 45.68 ? 94 TYR A CG 1 +ATOM 844 C CD1 A TYR A 1 94 ? 44.306 -26.522 -54.038 0.40 47.06 ? 94 TYR A CD1 1 +ATOM 845 C CD1 B TYR A 1 94 ? 44.311 -26.497 -54.047 0.60 47.01 ? 94 TYR A CD1 1 +ATOM 846 C CD2 A TYR A 1 94 ? 42.380 -26.565 -52.628 0.40 48.62 ? 94 TYR A CD2 1 +ATOM 847 C CD2 B TYR A 1 94 ? 42.382 -26.571 -52.646 0.60 48.74 ? 94 TYR A CD2 1 +ATOM 848 C CE1 A TYR A 1 94 ? 44.108 -25.162 -54.271 0.40 51.21 ? 94 TYR A CE1 1 +ATOM 849 C CE1 B TYR A 1 94 ? 44.099 -25.141 -54.268 0.60 51.30 ? 94 TYR A CE1 1 +ATOM 850 C CE2 A TYR A 1 94 ? 42.166 -25.203 -52.854 0.40 43.76 ? 94 TYR A CE2 1 +ATOM 851 C CE2 B TYR A 1 94 ? 42.154 -25.220 -52.866 0.60 43.68 ? 94 TYR A CE2 1 +ATOM 852 C CZ A TYR A 1 94 ? 43.037 -24.508 -53.671 0.40 47.65 ? 94 TYR A CZ 1 +ATOM 853 C CZ B TYR A 1 94 ? 43.017 -24.508 -53.673 0.60 47.69 ? 94 TYR A CZ 1 +ATOM 854 O OH A TYR A 1 94 ? 42.831 -23.169 -53.899 0.40 46.04 ? 94 TYR A OH 1 +ATOM 855 O OH B TYR A 1 94 ? 42.790 -23.175 -53.897 0.60 46.00 ? 94 TYR A OH 1 +ATOM 856 N N . PRO A 1 95 ? 46.596 -28.768 -50.676 1.00 52.63 ? 95 PRO A N 1 +ATOM 857 C CA . PRO A 1 95 ? 46.945 -28.212 -49.368 1.00 49.77 ? 95 PRO A CA 1 +ATOM 858 C C . PRO A 1 95 ? 47.004 -26.689 -49.455 1.00 50.89 ? 95 PRO A C 1 +ATOM 859 O O . PRO A 1 95 ? 46.973 -26.095 -50.542 1.00 52.48 ? 95 PRO A O 1 +ATOM 860 C CB . PRO A 1 95 ? 48.321 -28.820 -49.076 1.00 50.44 ? 95 PRO A CB 1 +ATOM 861 C CG . PRO A 1 95 ? 48.932 -28.952 -50.423 1.00 57.33 ? 95 PRO A CG 1 +ATOM 862 C CD . PRO A 1 95 ? 47.788 -29.260 -51.391 1.00 47.99 ? 95 PRO A CD 1 +ATOM 863 N N . ILE A 1 96 ? 47.075 -26.057 -48.281 1.00 48.10 ? 96 ILE A N 1 +ATOM 864 C CA . ILE A 1 96 ? 47.095 -24.595 -48.205 1.00 46.75 ? 96 ILE A CA 1 +ATOM 865 C C . ILE A 1 96 ? 48.217 -24.021 -49.066 1.00 48.47 ? 96 ILE A C 1 +ATOM 866 O O . ILE A 1 96 ? 48.029 -23.026 -49.772 1.00 51.06 ? 96 ILE A O 1 +ATOM 867 C CB . ILE A 1 96 ? 47.214 -24.137 -46.732 1.00 51.05 ? 96 ILE A CB 1 +ATOM 868 C CG1 . ILE A 1 96 ? 45.970 -24.510 -45.920 1.00 48.40 ? 96 ILE A CG1 1 +ATOM 869 C CG2 . ILE A 1 96 ? 47.413 -22.639 -46.642 1.00 49.31 ? 96 ILE A CG2 1 +ATOM 870 C CD1 . ILE A 1 96 ? 45.990 -23.991 -44.478 1.00 54.12 ? 96 ILE A CD1 1 +ATOM 871 N N . TRP A 1 97 ? 49.392 -24.647 -49.041 1.00 49.23 ? 97 TRP A N 1 +ATOM 872 C CA . TRP A 1 97 ? 50.531 -24.092 -49.766 1.00 55.25 ? 97 TRP A CA 1 +ATOM 873 C C . TRP A 1 97 ? 50.440 -24.263 -51.283 1.00 54.98 ? 97 TRP A C 1 +ATOM 874 O O . TRP A 1 97 ? 51.328 -23.779 -51.988 1.00 60.55 ? 97 TRP A O 1 +ATOM 875 C CB . TRP A 1 97 ? 51.838 -24.700 -49.255 1.00 51.60 ? 97 TRP A CB 1 +ATOM 876 C CG . TRP A 1 97 ? 51.924 -26.203 -49.342 1.00 55.70 ? 97 TRP A CG 1 +ATOM 877 C CD1 . TRP A 1 97 ? 52.332 -26.945 -50.419 1.00 49.69 ? 97 TRP A CD1 1 +ATOM 878 C CD2 . TRP A 1 97 ? 51.629 -27.144 -48.296 1.00 56.13 ? 97 TRP A CD2 1 +ATOM 879 N NE1 . TRP A 1 97 ? 52.292 -28.289 -50.112 1.00 51.25 ? 97 TRP A NE1 1 +ATOM 880 C CE2 . TRP A 1 97 ? 51.870 -28.439 -48.817 1.00 54.79 ? 97 TRP A CE2 1 +ATOM 881 C CE3 . TRP A 1 97 ? 51.168 -27.021 -46.976 1.00 47.41 ? 97 TRP A CE3 1 +ATOM 882 C CZ2 . TRP A 1 97 ? 51.669 -29.598 -48.063 1.00 53.63 ? 97 TRP A CZ2 1 +ATOM 883 C CZ3 . TRP A 1 97 ? 50.969 -28.177 -46.229 1.00 48.14 ? 97 TRP A CZ3 1 +ATOM 884 C CH2 . TRP A 1 97 ? 51.218 -29.448 -46.776 1.00 50.90 ? 97 TRP A CH2 1 +ATOM 885 N N . GLU A 1 98 ? 49.410 -24.910 -51.816 1.00 59.63 ? 98 GLU A N 1 +ATOM 886 C CA . GLU A 1 98 ? 49.218 -24.945 -53.262 1.00 50.82 ? 98 GLU A CA 1 +ATOM 887 C C . GLU A 1 98 ? 48.345 -23.810 -53.770 1.00 57.09 ? 98 GLU A C 1 +ATOM 888 O O . GLU A 1 98 ? 48.208 -23.657 -54.985 1.00 62.96 ? 98 GLU A O 1 +ATOM 889 C CB . GLU A 1 98 ? 48.605 -26.277 -53.693 1.00 55.11 ? 98 GLU A CB 1 +ATOM 890 C CG . GLU A 1 98 ? 49.597 -27.432 -53.766 1.00 65.40 ? 98 GLU A CG 1 +ATOM 891 C CD . GLU A 1 98 ? 50.690 -27.155 -54.746 1.00 62.63 ? 98 GLU A CD 1 +ATOM 892 O OE1 . GLU A 1 98 ? 50.356 -26.757 -55.880 1.00 84.65 ? 98 GLU A OE1 1 +ATOM 893 O OE2 . GLU A 1 98 ? 51.875 -27.287 -54.372 1.00 80.10 ? 98 GLU A OE2 1 +ATOM 894 N N . ALA A 1 99 ? 47.753 -23.031 -52.874 1.00 54.22 ? 99 ALA A N 1 +ATOM 895 C CA . ALA A 1 99 ? 46.920 -21.894 -53.213 1.00 51.23 ? 99 ALA A CA 1 +ATOM 896 C C . ALA A 1 99 ? 47.746 -20.617 -53.224 1.00 58.71 ? 99 ALA A C 1 +ATOM 897 O O . ALA A 1 99 ? 48.691 -20.464 -52.448 1.00 51.60 ? 99 ALA A O 1 +ATOM 898 C CB . ALA A 1 99 ? 45.767 -21.750 -52.211 1.00 47.26 ? 99 ALA A CB 1 +ATOM 899 N N . ALA A 1 100 ? 47.362 -19.682 -54.103 1.00 53.39 ? 100 ALA A N 1 +ATOM 900 C CA . ALA A 1 100 ? 48.013 -18.381 -54.093 1.00 60.36 ? 100 ALA A CA 1 +ATOM 901 C C . ALA A 1 100 ? 47.703 -17.588 -52.819 1.00 64.38 ? 100 ALA A C 1 +ATOM 902 O O . ALA A 1 100 ? 48.487 -16.712 -52.442 1.00 62.67 ? 100 ALA A O 1 +ATOM 903 C CB . ALA A 1 100 ? 47.600 -17.592 -55.337 1.00 45.93 ? 100 ALA A CB 1 +ATOM 904 N N . SER A 1 101 ? 46.592 -17.887 -52.146 1.00 54.90 ? 101 SER A N 1 +ATOM 905 C CA . SER A 1 101 ? 46.197 -17.183 -50.927 1.00 52.10 ? 101 SER A CA 1 +ATOM 906 C C . SER A 1 101 ? 45.185 -18.024 -50.161 1.00 55.32 ? 101 SER A C 1 +ATOM 907 O O . SER A 1 101 ? 44.561 -18.928 -50.716 1.00 49.33 ? 101 SER A O 1 +ATOM 908 C CB . SER A 1 101 ? 45.578 -15.826 -51.231 1.00 48.49 ? 101 SER A CB 1 +ATOM 909 O OG . SER A 1 101 ? 44.397 -15.979 -52.016 1.00 52.45 ? 101 SER A OG 1 +ATOM 910 N N . LEU A 1 102 ? 45.000 -17.683 -48.883 1.00 51.32 ? 102 LEU A N 1 +ATOM 911 C CA . LEU A 1 102 ? 43.926 -18.297 -48.117 1.00 51.20 ? 102 LEU A CA 1 +ATOM 912 C C . LEU A 1 102 ? 42.572 -18.043 -48.763 1.00 46.33 ? 102 LEU A C 1 +ATOM 913 O O . LEU A 1 102 ? 41.695 -18.912 -48.726 1.00 52.51 ? 102 LEU A O 1 +ATOM 914 C CB . LEU A 1 102 ? 43.932 -17.783 -46.681 1.00 49.98 ? 102 LEU A CB 1 +ATOM 915 C CG . LEU A 1 102 ? 44.868 -18.607 -45.820 1.00 54.34 ? 102 LEU A CG 1 +ATOM 916 C CD1 . LEU A 1 102 ? 45.127 -17.882 -44.535 1.00 60.64 ? 102 LEU A CD1 1 +ATOM 917 C CD2 . LEU A 1 102 ? 44.259 -19.992 -45.585 1.00 52.97 ? 102 LEU A CD2 1 +ATOM 918 N N . ASP A 1 103 ? 42.378 -16.867 -49.369 1.00 47.80 ? 103 ASP A N 1 +ATOM 919 C CA . ASP A 1 103 ? 41.073 -16.570 -49.948 1.00 43.57 ? 103 ASP A CA 1 +ATOM 920 C C . ASP A 1 103 ? 40.774 -17.475 -51.126 1.00 55.71 ? 103 ASP A C 1 +ATOM 921 O O . ASP A 1 103 ? 39.619 -17.864 -51.333 1.00 47.10 ? 103 ASP A O 1 +ATOM 922 C CB . ASP A 1 103 ? 40.996 -15.112 -50.375 1.00 59.23 ? 103 ASP A CB 1 +ATOM 923 C CG . ASP A 1 103 ? 41.065 -14.171 -49.190 1.00 59.35 ? 103 ASP A CG 1 +ATOM 924 O OD1 . ASP A 1 103 ? 40.322 -14.374 -48.198 1.00 75.40 ? 103 ASP A OD1 1 +ATOM 925 O OD2 . ASP A 1 103 ? 41.894 -13.258 -49.234 1.00 68.76 ? 103 ASP A OD2 1 +ATOM 926 N N . GLU A 1 104 ? 41.798 -17.797 -51.922 1.00 48.14 ? 104 GLU A N 1 +ATOM 927 C CA . GLU A 1 104 ? 41.620 -18.764 -53.002 1.00 47.92 ? 104 GLU A CA 1 +ATOM 928 C C . GLU A 1 104 ? 41.266 -20.125 -52.441 1.00 47.36 ? 104 GLU A C 1 +ATOM 929 O O . GLU A 1 104 ? 40.294 -20.753 -52.872 1.00 48.57 ? 104 GLU A O 1 +ATOM 930 C CB . GLU A 1 104 ? 42.889 -18.873 -53.843 1.00 51.07 ? 104 GLU A CB 1 +ATOM 931 C CG . GLU A 1 104 ? 42.826 -19.972 -54.938 1.00 48.27 ? 104 GLU A CG 1 +ATOM 932 C CD . GLU A 1 104 ? 44.218 -20.435 -55.342 1.00 57.50 ? 104 GLU A CD 1 +ATOM 933 O OE1 . GLU A 1 104 ? 45.036 -19.577 -55.749 1.00 52.77 ? 104 GLU A OE1 1 +ATOM 934 O OE2 . GLU A 1 104 ? 44.506 -21.649 -55.204 1.00 53.45 ? 104 GLU A OE2 1 +ATOM 935 N N . TRP A 1 105 ? 42.056 -20.582 -51.469 1.00 45.88 ? 105 TRP A N 1 +ATOM 936 C CA . TRP A 1 105 ? 41.893 -21.885 -50.838 1.00 44.54 ? 105 TRP A CA 1 +ATOM 937 C C . TRP A 1 105 ? 40.481 -22.076 -50.290 1.00 50.99 ? 105 TRP A C 1 +ATOM 938 O O . TRP A 1 105 ? 39.882 -23.148 -50.436 1.00 50.45 ? 105 TRP A O 1 +ATOM 939 C CB . TRP A 1 105 ? 42.929 -21.996 -49.724 1.00 46.40 ? 105 TRP A CB 1 +ATOM 940 C CG . TRP A 1 105 ? 43.075 -23.349 -49.091 1.00 48.71 ? 105 TRP A CG 1 +ATOM 941 C CD1 . TRP A 1 105 ? 43.608 -24.471 -49.664 1.00 42.56 ? 105 TRP A CD1 1 +ATOM 942 C CD2 . TRP A 1 105 ? 42.726 -23.707 -47.744 1.00 45.32 ? 105 TRP A CD2 1 +ATOM 943 N NE1 . TRP A 1 105 ? 43.600 -25.505 -48.758 1.00 50.14 ? 105 TRP A NE1 1 +ATOM 944 C CE2 . TRP A 1 105 ? 43.062 -25.058 -47.574 1.00 52.08 ? 105 TRP A CE2 1 +ATOM 945 C CE3 . TRP A 1 105 ? 42.154 -23.018 -46.675 1.00 50.90 ? 105 TRP A CE3 1 +ATOM 946 C CZ2 . TRP A 1 105 ? 42.842 -25.729 -46.377 1.00 52.85 ? 105 TRP A CZ2 1 +ATOM 947 C CZ3 . TRP A 1 105 ? 41.935 -23.687 -45.492 1.00 48.50 ? 105 TRP A CZ3 1 +ATOM 948 C CH2 . TRP A 1 105 ? 42.287 -25.012 -45.346 1.00 50.02 ? 105 TRP A CH2 1 +ATOM 949 N N . LEU A 1 106 ? 39.928 -21.027 -49.687 1.00 47.76 ? 106 LEU A N 1 +ATOM 950 C CA . LEU A 1 106 ? 38.592 -21.086 -49.112 1.00 51.65 ? 106 LEU A CA 1 +ATOM 951 C C . LEU A 1 106 ? 37.529 -21.137 -50.193 1.00 42.74 ? 106 LEU A C 1 +ATOM 952 O O . LEU A 1 106 ? 36.541 -21.874 -50.065 1.00 51.63 ? 106 LEU A O 1 +ATOM 953 C CB . LEU A 1 106 ? 38.361 -19.869 -48.206 1.00 44.47 ? 106 LEU A CB 1 +ATOM 954 C CG . LEU A 1 106 ? 39.210 -19.817 -46.941 1.00 50.73 ? 106 LEU A CG 1 +ATOM 955 C CD1 . LEU A 1 106 ? 39.064 -18.433 -46.283 1.00 44.63 ? 106 LEU A CD1 1 +ATOM 956 C CD2 . LEU A 1 106 ? 38.877 -20.962 -45.975 1.00 40.72 ? 106 LEU A CD2 1 +ATOM 957 N N A TYR A 1 107 ? 37.699 -20.353 -51.261 0.40 43.58 ? 107 TYR A N 1 +ATOM 958 N N B TYR A 1 107 ? 37.706 -20.352 -51.251 0.60 43.53 ? 107 TYR A N 1 +ATOM 959 C CA A TYR A 1 107 ? 36.727 -20.354 -52.349 0.40 46.12 ? 107 TYR A CA 1 +ATOM 960 C CA B TYR A 1 107 ? 36.750 -20.351 -52.349 0.60 46.18 ? 107 TYR A CA 1 +ATOM 961 C C A TYR A 1 107 ? 36.622 -21.730 -52.995 0.40 46.43 ? 107 TYR A C 1 +ATOM 962 C C B TYR A 1 107 ? 36.632 -21.734 -52.973 0.60 46.46 ? 107 TYR A C 1 +ATOM 963 O O A TYR A 1 107 ? 35.542 -22.144 -53.436 0.40 47.47 ? 107 TYR A O 1 +ATOM 964 O O B TYR A 1 107 ? 35.550 -22.143 -53.406 0.60 47.57 ? 107 TYR A O 1 +ATOM 965 C CB A TYR A 1 107 ? 37.121 -19.307 -53.393 0.40 41.89 ? 107 TYR A CB 1 +ATOM 966 C CB B TYR A 1 107 ? 37.174 -19.325 -53.400 0.60 41.75 ? 107 TYR A CB 1 +ATOM 967 C CG A TYR A 1 107 ? 36.178 -19.213 -54.578 0.40 45.52 ? 107 TYR A CG 1 +ATOM 968 C CG B TYR A 1 107 ? 36.229 -19.238 -54.577 0.60 45.58 ? 107 TYR A CG 1 +ATOM 969 C CD1 A TYR A 1 107 ? 36.325 -20.054 -55.694 0.40 43.66 ? 107 TYR A CD1 1 +ATOM 970 C CD1 B TYR A 1 107 ? 36.407 -20.047 -55.702 0.60 43.62 ? 107 TYR A CD1 1 +ATOM 971 C CD2 A TYR A 1 107 ? 35.141 -18.291 -54.584 0.40 43.93 ? 107 TYR A CD2 1 +ATOM 972 C CD2 B TYR A 1 107 ? 35.148 -18.364 -54.560 0.60 43.89 ? 107 TYR A CD2 1 +ATOM 973 C CE1 A TYR A 1 107 ? 35.448 -19.986 -56.773 0.40 42.66 ? 107 TYR A CE1 1 +ATOM 974 C CE1 B TYR A 1 107 ? 35.540 -19.986 -56.772 0.60 42.65 ? 107 TYR A CE1 1 +ATOM 975 C CE2 A TYR A 1 107 ? 34.276 -18.190 -55.669 0.40 42.84 ? 107 TYR A CE2 1 +ATOM 976 C CE2 B TYR A 1 107 ? 34.278 -18.285 -55.644 0.60 42.83 ? 107 TYR A CE2 1 +ATOM 977 C CZ A TYR A 1 107 ? 34.427 -19.042 -56.755 0.40 47.10 ? 107 TYR A CZ 1 +ATOM 978 C CZ B TYR A 1 107 ? 34.476 -19.103 -56.742 0.60 47.18 ? 107 TYR A CZ 1 +ATOM 979 O OH A TYR A 1 107 ? 33.553 -18.921 -57.813 0.40 43.96 ? 107 TYR A OH 1 +ATOM 980 O OH B TYR A 1 107 ? 33.619 -19.025 -57.820 0.60 44.14 ? 107 TYR A OH 1 +ATOM 981 N N A ASN A 1 108 ? 37.733 -22.449 -53.066 0.40 46.84 ? 108 ASN A N 1 +ATOM 982 N N B ASN A 1 108 ? 37.734 -22.471 -53.024 0.60 46.83 ? 108 ASN A N 1 +ATOM 983 C CA A ASN A 1 108 ? 37.791 -23.701 -53.789 0.40 45.13 ? 108 ASN A CA 1 +ATOM 984 C CA B ASN A 1 108 ? 37.795 -23.723 -53.755 0.60 45.14 ? 108 ASN A CA 1 +ATOM 985 C C A ASN A 1 108 ? 37.580 -24.906 -52.888 0.40 50.35 ? 108 ASN A C 1 +ATOM 986 C C B ASN A 1 108 ? 37.548 -24.932 -52.868 0.60 50.47 ? 108 ASN A C 1 +ATOM 987 O O A ASN A 1 108 ? 37.730 -26.047 -53.345 0.40 49.82 ? 108 ASN A O 1 +ATOM 988 O O B ASN A 1 108 ? 37.684 -26.066 -53.334 0.60 49.94 ? 108 ASN A O 1 +ATOM 989 C CB A ASN A 1 108 ? 39.116 -23.785 -54.537 0.40 42.42 ? 108 ASN A CB 1 +ATOM 990 C CB B ASN A 1 108 ? 39.140 -23.834 -54.462 0.60 42.17 ? 108 ASN A CB 1 +ATOM 991 C CG A ASN A 1 108 ? 39.143 -22.867 -55.753 0.40 51.40 ? 108 ASN A CG 1 +ATOM 992 C CG B ASN A 1 108 ? 39.234 -22.893 -55.651 0.60 51.64 ? 108 ASN A CG 1 +ATOM 993 O OD1 A ASN A 1 108 ? 38.675 -23.241 -56.823 0.40 55.09 ? 108 ASN A OD1 1 +ATOM 994 O OD1 B ASN A 1 108 ? 38.826 -23.242 -56.753 0.60 55.20 ? 108 ASN A OD1 1 +ATOM 995 N ND2 A ASN A 1 108 ? 39.669 -21.649 -55.585 0.40 49.14 ? 108 ASN A ND2 1 +ATOM 996 N ND2 B ASN A 1 108 ? 39.750 -21.685 -55.427 0.60 49.62 ? 108 ASN A ND2 1 +ATOM 997 N N A GLY A 1 109 ? 37.204 -24.685 -51.630 0.40 44.98 ? 109 GLY A N 1 +ATOM 998 N N B GLY A 1 109 ? 37.176 -24.723 -51.610 0.60 44.95 ? 109 GLY A N 1 +ATOM 999 C CA A GLY A 1 109 ? 36.906 -25.787 -50.747 0.40 44.83 ? 109 GLY A CA 1 +ATOM 1000 C CA B GLY A 1 109 ? 36.889 -25.847 -50.751 0.60 44.85 ? 109 GLY A CA 1 +ATOM 1001 C C A GLY A 1 109 ? 38.103 -26.470 -50.134 0.40 49.03 ? 109 GLY A C 1 +ATOM 1002 C C B GLY A 1 109 ? 38.104 -26.519 -50.166 0.60 49.14 ? 109 GLY A C 1 +ATOM 1003 O O A GLY A 1 109 ? 37.996 -27.633 -49.726 0.40 44.66 ? 109 GLY A O 1 +ATOM 1004 O O B GLY A 1 109 ? 38.029 -27.696 -49.801 0.60 44.57 ? 109 GLY A O 1 +ATOM 1005 N N A GLY A 1 110 ? 39.238 -25.782 -50.038 0.40 51.22 ? 110 GLY A N 1 +ATOM 1006 N N B GLY A 1 110 ? 39.225 -25.805 -50.071 0.60 51.42 ? 110 GLY A N 1 +ATOM 1007 C CA A GLY A 1 110 ? 40.403 -26.282 -49.338 0.40 45.01 ? 110 GLY A CA 1 +ATOM 1008 C CA B GLY A 1 110 ? 40.400 -26.276 -49.373 0.60 44.96 ? 110 GLY A CA 1 +ATOM 1009 C C A GLY A 1 110 ? 40.148 -26.953 -47.993 0.40 48.50 ? 110 GLY A C 1 +ATOM 1010 C C B GLY A 1 110 ? 40.131 -26.959 -48.038 0.60 48.56 ? 110 GLY A C 1 +ATOM 1011 O O A GLY A 1 110 ? 40.711 -28.010 -47.708 0.40 49.29 ? 110 GLY A O 1 +ATOM 1012 O O B GLY A 1 110 ? 40.613 -28.067 -47.796 0.60 49.47 ? 110 GLY A O 1 +ATOM 1013 N N A PRO A 1 111 ? 39.331 -26.341 -47.121 0.40 46.59 ? 111 PRO A N 1 +ATOM 1014 N N B PRO A 1 111 ? 39.373 -26.309 -47.138 0.60 46.63 ? 111 PRO A N 1 +ATOM 1015 C CA A PRO A 1 111 ? 39.124 -26.936 -45.786 0.40 45.55 ? 111 PRO A CA 1 +ATOM 1016 C CA B PRO A 1 111 ? 39.142 -26.912 -45.808 0.60 45.56 ? 111 PRO A CA 1 +ATOM 1017 C C A PRO A 1 111 ? 38.588 -28.356 -45.801 0.40 43.86 ? 111 PRO A C 1 +ATOM 1018 C C B PRO A 1 111 ? 38.630 -28.347 -45.834 0.60 43.75 ? 111 PRO A C 1 +ATOM 1019 O O A PRO A 1 111 ? 38.969 -29.157 -44.936 0.40 44.78 ? 111 PRO A O 1 +ATOM 1020 O O B PRO A 1 111 ? 39.070 -29.155 -45.002 0.60 44.75 ? 111 PRO A O 1 +ATOM 1021 C CB A PRO A 1 111 ? 38.136 -25.959 -45.132 0.40 42.70 ? 111 PRO A CB 1 +ATOM 1022 C CB B PRO A 1 111 ? 38.117 -25.959 -45.171 0.60 42.66 ? 111 PRO A CB 1 +ATOM 1023 C CG A PRO A 1 111 ? 38.478 -24.643 -45.739 0.40 45.38 ? 111 PRO A CG 1 +ATOM 1024 C CG B PRO A 1 111 ? 38.406 -24.634 -45.792 0.60 45.39 ? 111 PRO A CG 1 +ATOM 1025 C CD A PRO A 1 111 ? 38.813 -24.960 -47.184 0.40 41.34 ? 111 PRO A CD 1 +ATOM 1026 C CD B PRO A 1 111 ? 38.849 -24.928 -47.214 0.60 41.14 ? 111 PRO A CD 1 +ATOM 1027 N N A TYR A 1 112 ? 37.716 -28.698 -46.758 0.40 50.37 ? 112 TYR A N 1 +ATOM 1028 N N B TYR A 1 112 ? 37.721 -28.690 -46.760 0.60 50.53 ? 112 TYR A N 1 +ATOM 1029 C CA A TYR A 1 112 ? 37.164 -30.055 -46.811 0.40 47.09 ? 112 TYR A CA 1 +ATOM 1030 C CA B TYR A 1 112 ? 37.188 -30.057 -46.837 0.60 47.18 ? 112 TYR A CA 1 +ATOM 1031 C C A TYR A 1 112 ? 38.271 -31.099 -46.904 0.40 46.78 ? 112 TYR A C 1 +ATOM 1032 C C B TYR A 1 112 ? 38.305 -31.093 -46.913 0.60 46.83 ? 112 TYR A C 1 +ATOM 1033 O O A TYR A 1 112 ? 38.278 -32.082 -46.157 0.40 46.50 ? 112 TYR A O 1 +ATOM 1034 O O B TYR A 1 112 ? 38.318 -32.068 -46.150 0.60 46.56 ? 112 TYR A O 1 +ATOM 1035 C CB A TYR A 1 112 ? 36.214 -30.187 -48.003 0.40 48.08 ? 112 TYR A CB 1 +ATOM 1036 C CB B TYR A 1 112 ? 36.262 -30.200 -48.049 0.60 48.13 ? 112 TYR A CB 1 +ATOM 1037 C CG A TYR A 1 112 ? 35.561 -31.555 -48.152 0.40 48.01 ? 112 TYR A CG 1 +ATOM 1038 C CG B TYR A 1 112 ? 35.599 -31.576 -48.200 0.60 48.07 ? 112 TYR A CG 1 +ATOM 1039 C CD1 A TYR A 1 112 ? 34.494 -31.938 -47.333 0.40 42.11 ? 112 TYR A CD1 1 +ATOM 1040 C CD1 B TYR A 1 112 ? 34.522 -31.943 -47.394 0.60 42.08 ? 112 TYR A CD1 1 +ATOM 1041 C CD2 A TYR A 1 112 ? 35.983 -32.446 -49.129 0.40 43.96 ? 112 TYR A CD2 1 +ATOM 1042 C CD2 B TYR A 1 112 ? 36.028 -32.486 -49.162 0.60 43.92 ? 112 TYR A CD2 1 +ATOM 1043 C CE1 A TYR A 1 112 ? 33.887 -33.182 -47.476 0.40 42.25 ? 112 TYR A CE1 1 +ATOM 1044 C CE1 B TYR A 1 112 ? 33.899 -33.178 -47.528 0.60 42.19 ? 112 TYR A CE1 1 +ATOM 1045 C CE2 A TYR A 1 112 ? 35.377 -33.691 -49.280 0.40 44.30 ? 112 TYR A CE2 1 +ATOM 1046 C CE2 B TYR A 1 112 ? 35.405 -33.736 -49.310 0.60 44.23 ? 112 TYR A CE2 1 +ATOM 1047 C CZ A TYR A 1 112 ? 34.331 -34.048 -48.449 0.40 43.38 ? 112 TYR A CZ 1 +ATOM 1048 C CZ B TYR A 1 112 ? 34.340 -34.069 -48.483 0.60 43.38 ? 112 TYR A CZ 1 +ATOM 1049 O OH A TYR A 1 112 ? 33.723 -35.264 -48.601 0.40 45.30 ? 112 TYR A OH 1 +ATOM 1050 O OH B TYR A 1 112 ? 33.707 -35.287 -48.597 0.60 45.36 ? 112 TYR A OH 1 +ATOM 1051 N N A GLN A 1 113 ? 39.204 -30.911 -47.843 0.40 42.21 ? 113 GLN A N 1 +ATOM 1052 N N B GLN A 1 113 ? 39.250 -30.892 -47.840 0.60 42.18 ? 113 GLN A N 1 +ATOM 1053 C CA A GLN A 1 113 ? 40.330 -31.833 -47.973 0.40 45.48 ? 113 GLN A CA 1 +ATOM 1054 C CA B GLN A 1 113 ? 40.362 -31.824 -47.990 0.60 45.57 ? 113 GLN A CA 1 +ATOM 1055 C C A GLN A 1 113 ? 41.124 -31.931 -46.672 0.40 46.58 ? 113 GLN A C 1 +ATOM 1056 C C B GLN A 1 113 ? 41.179 -31.928 -46.710 0.60 46.65 ? 113 GLN A C 1 +ATOM 1057 O O A GLN A 1 113 ? 41.463 -33.029 -46.224 0.40 48.10 ? 113 GLN A O 1 +ATOM 1058 O O B GLN A 1 113 ? 41.576 -33.028 -46.307 0.60 48.27 ? 113 GLN A O 1 +ATOM 1059 C CB A GLN A 1 113 ? 41.234 -31.388 -49.130 0.40 47.57 ? 113 GLN A CB 1 +ATOM 1060 C CB B GLN A 1 113 ? 41.258 -31.408 -49.165 0.60 47.59 ? 113 GLN A CB 1 +ATOM 1061 C CG A GLN A 1 113 ? 40.692 -31.758 -50.502 0.40 45.13 ? 113 GLN A CG 1 +ATOM 1062 C CG B GLN A 1 113 ? 40.748 -31.886 -50.526 0.60 45.13 ? 113 GLN A CG 1 +ATOM 1063 C CD A GLN A 1 113 ? 41.774 -31.808 -51.578 0.40 51.37 ? 113 GLN A CD 1 +ATOM 1064 C CD B GLN A 1 113 ? 41.814 -31.869 -51.625 0.60 51.45 ? 113 GLN A CD 1 +ATOM 1065 O OE1 A GLN A 1 113 ? 42.970 -31.854 -51.283 0.40 50.74 ? 113 GLN A OE1 1 +ATOM 1066 O OE1 B GLN A 1 113 ? 43.017 -31.816 -51.361 0.60 50.86 ? 113 GLN A OE1 1 +ATOM 1067 N NE2 A GLN A 1 113 ? 41.353 -31.786 -52.826 0.40 45.96 ? 113 GLN A NE2 1 +ATOM 1068 N NE2 B GLN A 1 113 ? 41.364 -31.916 -52.867 0.60 45.93 ? 113 GLN A NE2 1 +ATOM 1069 N N . LEU A 1 114 ? 41.455 -30.793 -46.061 1.00 43.64 ? 114 LEU A N 1 +ATOM 1070 C CA . LEU A 1 114 ? 42.267 -30.841 -44.853 1.00 46.22 ? 114 LEU A CA 1 +ATOM 1071 C C . LEU A 1 114 ? 41.550 -31.623 -43.755 1.00 49.72 ? 114 LEU A C 1 +ATOM 1072 O O . LEU A 1 114 ? 42.161 -32.450 -43.060 1.00 44.17 ? 114 LEU A O 1 +ATOM 1073 C CB . LEU A 1 114 ? 42.620 -29.415 -44.398 1.00 39.15 ? 114 LEU A CB 1 +ATOM 1074 C CG . LEU A 1 114 ? 43.664 -29.278 -43.279 1.00 43.83 ? 114 LEU A CG 1 +ATOM 1075 C CD1 . LEU A 1 114 ? 44.350 -27.908 -43.329 1.00 46.95 ? 114 LEU A CD1 1 +ATOM 1076 C CD2 . LEU A 1 114 ? 43.069 -29.547 -41.853 1.00 42.56 ? 114 LEU A CD2 1 +ATOM 1077 N N . ILE A 1 115 ? 40.239 -31.424 -43.624 1.00 49.53 ? 115 ILE A N 1 +ATOM 1078 C CA . ILE A 1 115 ? 39.512 -32.114 -42.560 1.00 43.51 ? 115 ILE A CA 1 +ATOM 1079 C C . ILE A 1 115 ? 39.458 -33.630 -42.803 1.00 40.41 ? 115 ILE A C 1 +ATOM 1080 O O . ILE A 1 115 ? 39.784 -34.412 -41.908 1.00 47.86 ? 115 ILE A O 1 +ATOM 1081 C CB . ILE A 1 115 ? 38.112 -31.497 -42.370 1.00 45.51 ? 115 ILE A CB 1 +ATOM 1082 C CG1 . ILE A 1 115 ? 38.242 -30.084 -41.778 1.00 40.13 ? 115 ILE A CG1 1 +ATOM 1083 C CG2 . ILE A 1 115 ? 37.290 -32.359 -41.443 1.00 38.60 ? 115 ILE A CG2 1 +ATOM 1084 C CD1 . ILE A 1 115 ? 37.169 -29.140 -42.234 1.00 43.01 ? 115 ILE A CD1 1 +ATOM 1085 N N A ILE A 1 116 ? 39.061 -34.063 -44.007 0.40 43.02 ? 116 ILE A N 1 +ATOM 1086 N N B ILE A 1 116 ? 39.082 -34.074 -44.008 0.60 42.99 ? 116 ILE A N 1 +ATOM 1087 C CA A ILE A 1 116 ? 38.826 -35.502 -44.170 0.40 46.91 ? 116 ILE A CA 1 +ATOM 1088 C CA B ILE A 1 116 ? 38.825 -35.512 -44.172 0.60 46.95 ? 116 ILE A CA 1 +ATOM 1089 C C A ILE A 1 116 ? 40.136 -36.288 -44.185 0.40 47.00 ? 116 ILE A C 1 +ATOM 1090 C C B ILE A 1 116 ? 40.127 -36.313 -44.176 0.60 47.02 ? 116 ILE A C 1 +ATOM 1091 O O A ILE A 1 116 ? 40.178 -37.423 -43.695 0.40 49.62 ? 116 ILE A O 1 +ATOM 1092 O O B ILE A 1 116 ? 40.177 -37.432 -43.642 0.60 49.63 ? 116 ILE A O 1 +ATOM 1093 C CB A ILE A 1 116 ? 37.985 -35.823 -45.425 0.40 48.34 ? 116 ILE A CB 1 +ATOM 1094 C CB B ILE A 1 116 ? 37.979 -35.808 -45.430 0.60 48.40 ? 116 ILE A CB 1 +ATOM 1095 C CG1 A ILE A 1 116 ? 38.738 -35.443 -46.696 0.40 47.97 ? 116 ILE A CG1 1 +ATOM 1096 C CG1 B ILE A 1 116 ? 38.728 -35.437 -46.707 0.60 48.00 ? 116 ILE A CG1 1 +ATOM 1097 C CG2 A ILE A 1 116 ? 36.580 -35.181 -45.342 0.40 46.77 ? 116 ILE A CG2 1 +ATOM 1098 C CG2 B ILE A 1 116 ? 36.612 -35.117 -45.346 0.60 46.88 ? 116 ILE A CG2 1 +ATOM 1099 C CD1 A ILE A 1 116 ? 38.125 -36.015 -47.981 0.40 56.17 ? 116 ILE A CD1 1 +ATOM 1100 C CD1 B ILE A 1 116 ? 38.125 -36.057 -47.978 0.60 56.32 ? 116 ILE A CD1 1 +ATOM 1101 N N A PHE A 1 117 ? 41.220 -35.725 -44.736 0.40 46.08 ? 117 PHE A N 1 +ATOM 1102 N N B PHE A 1 117 ? 41.199 -35.766 -44.761 0.60 46.08 ? 117 PHE A N 1 +ATOM 1103 C CA A PHE A 1 117 ? 42.481 -36.472 -44.740 0.40 54.47 ? 117 PHE A CA 1 +ATOM 1104 C CA B PHE A 1 117 ? 42.473 -36.482 -44.743 0.60 54.64 ? 117 PHE A CA 1 +ATOM 1105 C C A PHE A 1 117 ? 43.033 -36.636 -43.326 0.40 52.88 ? 117 PHE A C 1 +ATOM 1106 C C B PHE A 1 117 ? 43.004 -36.648 -43.317 0.60 52.97 ? 117 PHE A C 1 +ATOM 1107 O O A PHE A 1 117 ? 43.539 -37.706 -42.978 0.40 53.26 ? 117 PHE A O 1 +ATOM 1108 O O B PHE A 1 117 ? 43.479 -37.729 -42.951 0.60 53.48 ? 117 PHE A O 1 +ATOM 1109 C CB A PHE A 1 117 ? 43.523 -35.793 -45.637 0.40 48.60 ? 117 PHE A CB 1 +ATOM 1110 C CB B PHE A 1 117 ? 43.503 -35.767 -45.621 0.60 48.51 ? 117 PHE A CB 1 +ATOM 1111 C CG A PHE A 1 117 ? 43.142 -35.757 -47.082 0.40 52.32 ? 117 PHE A CG 1 +ATOM 1112 C CG B PHE A 1 117 ? 43.154 -35.759 -47.082 0.60 52.37 ? 117 PHE A CG 1 +ATOM 1113 C CD1 A PHE A 1 117 ? 42.255 -36.682 -47.602 0.40 56.48 ? 117 PHE A CD1 1 +ATOM 1114 C CD1 B PHE A 1 117 ? 42.223 -36.648 -47.592 0.60 56.62 ? 117 PHE A CD1 1 +ATOM 1115 C CD2 A PHE A 1 117 ? 43.650 -34.784 -47.919 0.40 46.99 ? 117 PHE A CD2 1 +ATOM 1116 C CD2 B PHE A 1 117 ? 43.750 -34.854 -47.944 0.60 46.78 ? 117 PHE A CD2 1 +ATOM 1117 C CE1 A PHE A 1 117 ? 41.892 -36.642 -48.947 0.40 54.55 ? 117 PHE A CE1 1 +ATOM 1118 C CE1 B PHE A 1 117 ? 41.894 -36.641 -48.944 0.60 54.59 ? 117 PHE A CE1 1 +ATOM 1119 C CE2 A PHE A 1 117 ? 43.286 -34.744 -49.256 0.40 51.99 ? 117 PHE A CE2 1 +ATOM 1120 C CE2 B PHE A 1 117 ? 43.424 -34.840 -49.290 0.60 52.11 ? 117 PHE A CE2 1 +ATOM 1121 C CZ A PHE A 1 117 ? 42.402 -35.662 -49.760 0.40 53.42 ? 117 PHE A CZ 1 +ATOM 1122 C CZ B PHE A 1 117 ? 42.489 -35.732 -49.788 0.60 53.60 ? 117 PHE A CZ 1 +ATOM 1123 N N . HIS A 1 118 ? 42.934 -35.589 -42.499 1.00 45.03 ? 118 HIS A N 1 +ATOM 1124 C CA . HIS A 1 118 ? 43.367 -35.705 -41.108 1.00 42.62 ? 118 HIS A CA 1 +ATOM 1125 C C . HIS A 1 118 ? 42.435 -36.620 -40.325 1.00 49.02 ? 118 HIS A C 1 +ATOM 1126 O O . HIS A 1 118 ? 42.886 -37.394 -39.471 1.00 45.23 ? 118 HIS A O 1 +ATOM 1127 C CB . HIS A 1 118 ? 43.444 -34.323 -40.439 1.00 40.40 ? 118 HIS A CB 1 +ATOM 1128 C CG . HIS A 1 118 ? 44.674 -33.533 -40.798 1.00 48.87 ? 118 HIS A CG 1 +ATOM 1129 N ND1 . HIS A 1 118 ? 44.715 -32.662 -41.864 1.00 45.57 ? 118 HIS A ND1 1 +ATOM 1130 C CD2 . HIS A 1 118 ? 45.911 -33.497 -40.241 1.00 51.53 ? 118 HIS A CD2 1 +ATOM 1131 C CE1 . HIS A 1 118 ? 45.912 -32.105 -41.936 1.00 49.76 ? 118 HIS A CE1 1 +ATOM 1132 N NE2 . HIS A 1 118 ? 46.663 -32.605 -40.970 1.00 52.04 ? 118 HIS A NE2 1 +ATOM 1133 N N . PHE A 1 119 ? 41.133 -36.539 -40.601 1.00 43.20 ? 119 PHE A N 1 +ATOM 1134 C CA . PHE A 1 119 ? 40.168 -37.367 -39.894 1.00 45.46 ? 119 PHE A CA 1 +ATOM 1135 C C . PHE A 1 119 ? 40.344 -38.855 -40.232 1.00 46.06 ? 119 PHE A C 1 +ATOM 1136 O O . PHE A 1 119 ? 40.322 -39.710 -39.340 1.00 44.75 ? 119 PHE A O 1 +ATOM 1137 C CB . PHE A 1 119 ? 38.747 -36.903 -40.221 1.00 42.88 ? 119 PHE A CB 1 +ATOM 1138 C CG . PHE A 1 119 ? 37.701 -37.893 -39.820 1.00 44.67 ? 119 PHE A CG 1 +ATOM 1139 C CD1 . PHE A 1 119 ? 37.386 -38.071 -38.484 1.00 44.89 ? 119 PHE A CD1 1 +ATOM 1140 C CD2 . PHE A 1 119 ? 37.083 -38.696 -40.770 1.00 43.62 ? 119 PHE A CD2 1 +ATOM 1141 C CE1 . PHE A 1 119 ? 36.450 -39.010 -38.104 1.00 53.27 ? 119 PHE A CE1 1 +ATOM 1142 C CE2 . PHE A 1 119 ? 36.146 -39.632 -40.396 1.00 48.40 ? 119 PHE A CE2 1 +ATOM 1143 C CZ . PHE A 1 119 ? 35.827 -39.796 -39.069 1.00 42.77 ? 119 PHE A CZ 1 +ATOM 1144 N N A LEU A 1 120 ? 40.496 -39.177 -41.513 0.40 46.93 ? 120 LEU A N 1 +ATOM 1145 N N B LEU A 1 120 ? 40.507 -39.189 -41.523 0.60 46.99 ? 120 LEU A N 1 +ATOM 1146 C CA A LEU A 1 120 ? 40.663 -40.582 -41.891 0.40 48.13 ? 120 LEU A CA 1 +ATOM 1147 C CA B LEU A 1 120 ? 40.671 -40.598 -41.899 0.60 48.21 ? 120 LEU A CA 1 +ATOM 1148 C C A LEU A 1 120 ? 41.946 -41.165 -41.310 0.40 46.30 ? 120 LEU A C 1 +ATOM 1149 C C B LEU A 1 120 ? 41.959 -41.180 -41.330 0.60 46.24 ? 120 LEU A C 1 +ATOM 1150 O O A LEU A 1 120 ? 41.970 -42.324 -40.886 0.40 51.21 ? 120 LEU A O 1 +ATOM 1151 O O B LEU A 1 120 ? 41.993 -42.349 -40.937 0.60 51.31 ? 120 LEU A O 1 +ATOM 1152 C CB A LEU A 1 120 ? 40.646 -40.736 -43.418 0.40 40.27 ? 120 LEU A CB 1 +ATOM 1153 C CB B LEU A 1 120 ? 40.644 -40.766 -43.419 0.60 40.00 ? 120 LEU A CB 1 +ATOM 1154 C CG A LEU A 1 120 ? 39.271 -40.506 -44.068 0.40 51.03 ? 120 LEU A CG 1 +ATOM 1155 C CG B LEU A 1 120 ? 39.270 -40.539 -44.059 0.60 51.14 ? 120 LEU A CG 1 +ATOM 1156 C CD1 A LEU A 1 120 ? 39.338 -40.503 -45.618 0.40 49.47 ? 120 LEU A CD1 1 +ATOM 1157 C CD1 B LEU A 1 120 ? 39.340 -40.506 -45.603 0.60 49.53 ? 120 LEU A CD1 1 +ATOM 1158 C CD2 A LEU A 1 120 ? 38.258 -41.541 -43.568 0.40 45.69 ? 120 LEU A CD2 1 +ATOM 1159 C CD2 B LEU A 1 120 ? 38.278 -41.589 -43.574 0.60 45.66 ? 120 LEU A CD2 1 +ATOM 1160 N N . LEU A 1 121 ? 43.032 -40.390 -41.298 1.00 51.03 ? 121 LEU A N 1 +ATOM 1161 C CA . LEU A 1 121 ? 44.252 -40.818 -40.615 1.00 45.75 ? 121 LEU A CA 1 +ATOM 1162 C C . LEU A 1 121 ? 43.995 -41.033 -39.133 1.00 45.27 ? 121 LEU A C 1 +ATOM 1163 O O . LEU A 1 121 ? 44.283 -42.109 -38.579 1.00 50.98 ? 121 LEU A O 1 +ATOM 1164 C CB . LEU A 1 121 ? 45.349 -39.769 -40.796 1.00 49.67 ? 121 LEU A CB 1 +ATOM 1165 C CG . LEU A 1 121 ? 46.459 -40.104 -41.778 1.00 87.31 ? 121 LEU A CG 1 +ATOM 1166 C CD1 . LEU A 1 121 ? 47.255 -38.866 -42.166 1.00 55.23 ? 121 LEU A CD1 1 +ATOM 1167 C CD2 . LEU A 1 121 ? 47.359 -41.166 -41.160 1.00 75.29 ? 121 LEU A CD2 1 +ATOM 1168 N N . GLY A 1 122 ? 43.457 -40.006 -38.466 1.00 47.20 ? 122 GLY A N 1 +ATOM 1169 C CA . GLY A 1 122 ? 43.232 -40.101 -37.036 1.00 43.78 ? 122 GLY A CA 1 +ATOM 1170 C C . GLY A 1 122 ? 42.332 -41.262 -36.665 1.00 44.47 ? 122 GLY A C 1 +ATOM 1171 O O . GLY A 1 122 ? 42.555 -41.932 -35.656 1.00 49.05 ? 122 GLY A O 1 +ATOM 1172 N N . ALA A 1 123 ? 41.306 -41.516 -37.475 1.00 42.59 ? 123 ALA A N 1 +ATOM 1173 C CA . ALA A 1 123 ? 40.352 -42.561 -37.134 1.00 48.10 ? 123 ALA A CA 1 +ATOM 1174 C C . ALA A 1 123 ? 40.913 -43.955 -37.407 1.00 48.03 ? 123 ALA A C 1 +ATOM 1175 O O . ALA A 1 123 ? 40.564 -44.907 -36.696 1.00 49.12 ? 123 ALA A O 1 +ATOM 1176 C CB . ALA A 1 123 ? 39.035 -42.328 -37.885 1.00 46.43 ? 123 ALA A CB 1 +ATOM 1177 N N . SER A 1 124 ? 41.790 -44.091 -38.408 1.00 46.60 ? 124 SER A N 1 +ATOM 1178 C CA . SER A 1 124 ? 42.493 -45.350 -38.621 1.00 43.59 ? 124 SER A CA 1 +ATOM 1179 C C . SER A 1 124 ? 43.417 -45.648 -37.451 1.00 51.69 ? 124 SER A C 1 +ATOM 1180 O O . SER A 1 124 ? 43.528 -46.803 -37.006 1.00 51.74 ? 124 SER A O 1 +ATOM 1181 C CB . SER A 1 124 ? 43.302 -45.290 -39.919 1.00 55.65 ? 124 SER A CB 1 +ATOM 1182 O OG . SER A 1 124 ? 42.478 -45.083 -41.038 1.00 51.82 ? 124 SER A OG 1 +ATOM 1183 N N . CYS A 1 125 ? 44.092 -44.608 -36.945 1.00 44.09 ? 125 CYS A N 1 +ATOM 1184 C CA . CYS A 1 125 ? 44.917 -44.743 -35.752 1.00 49.36 ? 125 CYS A CA 1 +ATOM 1185 C C . CYS A 1 125 ? 44.077 -44.989 -34.510 1.00 47.32 ? 125 CYS A C 1 +ATOM 1186 O O . CYS A 1 125 ? 44.538 -45.677 -33.599 1.00 50.97 ? 125 CYS A O 1 +ATOM 1187 C CB . CYS A 1 125 ? 45.815 -43.512 -35.580 1.00 42.36 ? 125 CYS A CB 1 +ATOM 1188 S SG . CYS A 1 125 ? 47.129 -43.454 -36.864 1.00 51.62 ? 125 CYS A SG 1 +ATOM 1189 N N A TYR A 1 126 ? 42.846 -44.461 -34.450 0.40 44.28 ? 126 TYR A N 1 +ATOM 1190 N N B TYR A 1 126 ? 42.864 -44.441 -34.464 0.60 44.18 ? 126 TYR A N 1 +ATOM 1191 C CA A TYR A 1 126 ? 41.944 -44.796 -33.350 0.40 50.60 ? 126 TYR A CA 1 +ATOM 1192 C CA B TYR A 1 126 ? 41.949 -44.776 -33.380 0.60 50.68 ? 126 TYR A CA 1 +ATOM 1193 C C A TYR A 1 126 ? 41.674 -46.295 -33.320 0.40 48.38 ? 126 TYR A C 1 +ATOM 1194 C C B TYR A 1 126 ? 41.698 -46.277 -33.326 0.60 48.34 ? 126 TYR A C 1 +ATOM 1195 O O A TYR A 1 126 ? 41.588 -46.903 -32.244 0.40 51.69 ? 126 TYR A O 1 +ATOM 1196 O O B TYR A 1 126 ? 41.626 -46.864 -32.238 0.60 51.78 ? 126 TYR A O 1 +ATOM 1197 C CB A TYR A 1 126 ? 40.639 -44.003 -33.485 0.40 47.63 ? 126 TYR A CB 1 +ATOM 1198 C CB B TYR A 1 126 ? 40.636 -44.017 -33.555 0.60 47.67 ? 126 TYR A CB 1 +ATOM 1199 C CG A TYR A 1 126 ? 39.657 -44.074 -32.316 0.40 48.24 ? 126 TYR A CG 1 +ATOM 1200 C CG B TYR A 1 126 ? 39.689 -44.097 -32.380 0.60 48.27 ? 126 TYR A CG 1 +ATOM 1201 C CD1 A TYR A 1 126 ? 38.705 -45.092 -32.240 0.40 44.78 ? 126 TYR A CD1 1 +ATOM 1202 C CD1 B TYR A 1 126 ? 38.743 -45.120 -32.283 0.60 44.65 ? 126 TYR A CD1 1 +ATOM 1203 C CD2 A TYR A 1 126 ? 39.660 -43.097 -31.312 0.40 46.11 ? 126 TYR A CD2 1 +ATOM 1204 C CD2 B TYR A 1 126 ? 39.729 -43.136 -31.371 0.60 46.12 ? 126 TYR A CD2 1 +ATOM 1205 C CE1 A TYR A 1 126 ? 37.801 -45.149 -31.186 0.40 45.09 ? 126 TYR A CE1 1 +ATOM 1206 C CE1 B TYR A 1 126 ? 37.869 -45.181 -31.198 0.60 45.01 ? 126 TYR A CE1 1 +ATOM 1207 C CE2 A TYR A 1 126 ? 38.755 -43.137 -30.256 0.40 44.90 ? 126 TYR A CE2 1 +ATOM 1208 C CE2 B TYR A 1 126 ? 38.861 -43.180 -30.300 0.60 44.92 ? 126 TYR A CE2 1 +ATOM 1209 C CZ A TYR A 1 126 ? 37.827 -44.173 -30.202 0.40 48.16 ? 126 TYR A CZ 1 +ATOM 1210 C CZ B TYR A 1 126 ? 37.934 -44.203 -30.217 0.60 48.22 ? 126 TYR A CZ 1 +ATOM 1211 O OH A TYR A 1 126 ? 36.921 -44.220 -29.165 0.40 48.97 ? 126 TYR A OH 1 +ATOM 1212 O OH B TYR A 1 126 ? 37.078 -44.231 -29.142 0.60 49.20 ? 126 TYR A OH 1 +ATOM 1213 N N . MET A 1 127 ? 41.568 -46.911 -34.496 1.00 53.43 ? 127 MET A N 1 +ATOM 1214 C CA . MET A 1 127 ? 41.380 -48.359 -34.573 1.00 52.31 ? 127 MET A CA 1 +ATOM 1215 C C . MET A 1 127 ? 42.628 -49.108 -34.125 1.00 47.31 ? 127 MET A C 1 +ATOM 1216 O O . MET A 1 127 ? 42.534 -50.096 -33.387 1.00 45.73 ? 127 MET A O 1 +ATOM 1217 C CB . MET A 1 127 ? 41.016 -48.756 -36.008 1.00 42.81 ? 127 MET A CB 1 +ATOM 1218 C CG . MET A 1 127 ? 40.731 -50.254 -36.158 1.00 46.89 ? 127 MET A CG 1 +ATOM 1219 S SD . MET A 1 127 ? 40.153 -50.749 -37.817 1.00 49.47 ? 127 MET A SD 1 +ATOM 1220 C CE . MET A 1 127 ? 41.574 -50.281 -38.815 1.00 46.18 ? 127 MET A CE 1 +ATOM 1221 N N . GLY A 1 128 ? 43.805 -48.672 -34.580 1.00 41.36 ? 128 GLY A N 1 +ATOM 1222 C CA . GLY A 1 128 ? 45.032 -49.271 -34.086 1.00 45.12 ? 128 GLY A CA 1 +ATOM 1223 C C . GLY A 1 128 ? 45.172 -49.113 -32.580 1.00 45.22 ? 128 GLY A C 1 +ATOM 1224 O O . GLY A 1 128 ? 45.575 -50.049 -31.881 1.00 55.27 ? 128 GLY A O 1 +ATOM 1225 N N . ARG A 1 129 ? 44.795 -47.936 -32.061 1.00 48.02 ? 129 ARG A N 1 +ATOM 1226 C CA . ARG A 1 129 ? 44.883 -47.665 -30.635 1.00 49.79 ? 129 ARG A CA 1 +ATOM 1227 C C . ARG A 1 129 ? 44.005 -48.621 -29.828 1.00 50.81 ? 129 ARG A C 1 +ATOM 1228 O O . ARG A 1 129 ? 44.378 -49.026 -28.719 1.00 51.14 ? 129 ARG A O 1 +ATOM 1229 C CB . ARG A 1 129 ? 44.518 -46.194 -30.370 1.00 49.54 ? 129 ARG A CB 1 +ATOM 1230 C CG . ARG A 1 129 ? 44.576 -45.743 -28.905 1.00 44.57 ? 129 ARG A CG 1 +ATOM 1231 C CD . ARG A 1 129 ? 44.635 -44.210 -28.829 1.00 45.83 ? 129 ARG A CD 1 +ATOM 1232 N NE . ARG A 1 129 ? 44.330 -43.677 -27.500 1.00 44.31 ? 129 ARG A NE 1 +ATOM 1233 C CZ . ARG A 1 129 ? 43.098 -43.454 -27.060 1.00 51.86 ? 129 ARG A CZ 1 +ATOM 1234 N NH1 . ARG A 1 129 ? 42.034 -43.770 -27.789 1.00 47.52 ? 129 ARG A NH1 1 +ATOM 1235 N NH2 . ARG A 1 129 ? 42.924 -42.901 -25.862 1.00 45.39 ? 129 ARG A NH2 1 +ATOM 1236 N N A GLN A 1 130 ? 42.836 -49.002 -30.365 0.40 49.91 ? 130 GLN A N 1 +ATOM 1237 N N B GLN A 1 130 ? 42.852 -49.007 -30.377 0.60 49.94 ? 130 GLN A N 1 +ATOM 1238 C CA A GLN A 1 130 ? 42.003 -49.995 -29.690 0.40 47.57 ? 130 GLN A CA 1 +ATOM 1239 C CA B GLN A 1 130 ? 42.018 -49.998 -29.704 0.60 47.52 ? 130 GLN A CA 1 +ATOM 1240 C C A GLN A 1 130 ? 42.701 -51.350 -29.639 0.40 54.36 ? 130 GLN A C 1 +ATOM 1241 C C B GLN A 1 130 ? 42.725 -51.343 -29.631 0.60 54.43 ? 130 GLN A C 1 +ATOM 1242 O O A GLN A 1 130 ? 42.623 -52.043 -28.622 0.40 53.66 ? 130 GLN A O 1 +ATOM 1243 O O B GLN A 1 130 ? 42.692 -52.013 -28.591 0.60 53.82 ? 130 GLN A O 1 +ATOM 1244 C CB A GLN A 1 130 ? 40.642 -50.119 -30.380 0.40 50.18 ? 130 GLN A CB 1 +ATOM 1245 C CB B GLN A 1 130 ? 40.670 -50.127 -30.418 0.60 50.24 ? 130 GLN A CB 1 +ATOM 1246 C CG A GLN A 1 130 ? 39.679 -48.948 -30.159 0.40 48.54 ? 130 GLN A CG 1 +ATOM 1247 C CG B GLN A 1 130 ? 39.666 -49.022 -30.094 0.60 48.56 ? 130 GLN A CG 1 +ATOM 1248 C CD A GLN A 1 130 ? 38.348 -49.176 -30.851 0.40 50.71 ? 130 GLN A CD 1 +ATOM 1249 C CD B GLN A 1 130 ? 38.364 -49.184 -30.856 0.60 50.86 ? 130 GLN A CD 1 +ATOM 1250 O OE1 A GLN A 1 130 ? 38.306 -49.763 -31.930 0.40 49.87 ? 130 GLN A OE1 1 +ATOM 1251 O OE1 B GLN A 1 130 ? 38.343 -49.754 -31.943 0.60 50.02 ? 130 GLN A OE1 1 +ATOM 1252 N NE2 A GLN A 1 130 ? 37.256 -48.724 -30.234 0.40 48.95 ? 130 GLN A NE2 1 +ATOM 1253 N NE2 B GLN A 1 130 ? 37.269 -48.684 -30.288 0.60 49.04 ? 130 GLN A NE2 1 +ATOM 1254 N N . TRP A 1 131 ? 43.374 -51.762 -30.723 1.00 51.77 ? 131 TRP A N 1 +ATOM 1255 C CA . TRP A 1 131 ? 44.180 -52.977 -30.644 1.00 49.99 ? 131 TRP A CA 1 +ATOM 1256 C C . TRP A 1 131 ? 45.273 -52.814 -29.577 1.00 53.20 ? 131 TRP A C 1 +ATOM 1257 O O . TRP A 1 131 ? 45.472 -53.696 -28.729 1.00 49.60 ? 131 TRP A O 1 +ATOM 1258 C CB . TRP A 1 131 ? 44.819 -53.368 -31.998 1.00 46.79 ? 131 TRP A CB 1 +ATOM 1259 C CG . TRP A 1 131 ? 45.913 -54.295 -31.641 1.00 49.51 ? 131 TRP A CG 1 +ATOM 1260 C CD1 . TRP A 1 131 ? 45.776 -55.602 -31.277 1.00 45.51 ? 131 TRP A CD1 1 +ATOM 1261 C CD2 . TRP A 1 131 ? 47.289 -53.956 -31.417 1.00 51.45 ? 131 TRP A CD2 1 +ATOM 1262 N NE1 . TRP A 1 131 ? 46.982 -56.110 -30.877 1.00 55.19 ? 131 TRP A NE1 1 +ATOM 1263 C CE2 . TRP A 1 131 ? 47.929 -55.119 -30.939 1.00 55.26 ? 131 TRP A CE2 1 +ATOM 1264 C CE3 . TRP A 1 131 ? 48.038 -52.784 -31.579 1.00 47.06 ? 131 TRP A CE3 1 +ATOM 1265 C CZ2 . TRP A 1 131 ? 49.298 -55.156 -30.634 1.00 49.91 ? 131 TRP A CZ2 1 +ATOM 1266 C CZ3 . TRP A 1 131 ? 49.386 -52.807 -31.257 1.00 62.21 ? 131 TRP A CZ3 1 +ATOM 1267 C CH2 . TRP A 1 131 ? 50.008 -53.993 -30.792 1.00 57.91 ? 131 TRP A CH2 1 +ATOM 1268 N N . GLU A 1 132 ? 45.978 -51.675 -29.600 1.00 45.57 ? 132 GLU A N 1 +ATOM 1269 C CA . GLU A 1 132 ? 47.195 -51.513 -28.804 1.00 55.92 ? 132 GLU A CA 1 +ATOM 1270 C C . GLU A 1 132 ? 46.914 -51.609 -27.308 1.00 61.95 ? 132 GLU A C 1 +ATOM 1271 O O . GLU A 1 132 ? 47.628 -52.308 -26.570 1.00 57.56 ? 132 GLU A O 1 +ATOM 1272 C CB . GLU A 1 132 ? 47.861 -50.180 -29.150 1.00 46.38 ? 132 GLU A CB 1 +ATOM 1273 C CG . GLU A 1 132 ? 49.262 -50.048 -28.602 1.00 48.94 ? 132 GLU A CG 1 +ATOM 1274 C CD . GLU A 1 132 ? 49.868 -48.688 -28.861 1.00 53.18 ? 132 GLU A CD 1 +ATOM 1275 O OE1 . GLU A 1 132 ? 49.492 -48.043 -29.867 1.00 57.16 ? 132 GLU A OE1 1 +ATOM 1276 O OE2 . GLU A 1 132 ? 50.731 -48.260 -28.063 1.00 58.39 ? 132 GLU A OE2 1 +ATOM 1277 N N . LEU A 1 133 ? 45.876 -50.907 -26.837 1.00 55.26 ? 133 LEU A N 1 +ATOM 1278 C CA . LEU A 1 133 ? 45.562 -50.953 -25.416 1.00 54.02 ? 133 LEU A CA 1 +ATOM 1279 C C . LEU A 1 133 ? 45.102 -52.344 -24.990 1.00 52.11 ? 133 LEU A C 1 +ATOM 1280 O O . LEU A 1 133 ? 45.420 -52.782 -23.876 1.00 53.84 ? 133 LEU A O 1 +ATOM 1281 C CB . LEU A 1 133 ? 44.523 -49.888 -25.048 1.00 48.65 ? 133 LEU A CB 1 +ATOM 1282 C CG . LEU A 1 133 ? 44.200 -49.762 -23.540 1.00 47.58 ? 133 LEU A CG 1 +ATOM 1283 C CD1 . LEU A 1 133 ? 45.447 -49.440 -22.723 1.00 42.93 ? 133 LEU A CD1 1 +ATOM 1284 C CD2 . LEU A 1 133 ? 43.149 -48.700 -23.302 1.00 42.50 ? 133 LEU A CD2 1 +ATOM 1285 N N A SER A 1 134 ? 44.345 -53.055 -25.844 0.40 45.63 ? 134 SER A N 1 +ATOM 1286 N N B SER A 1 134 ? 44.369 -53.057 -25.850 0.60 45.52 ? 134 SER A N 1 +ATOM 1287 C CA A SER A 1 134 ? 43.940 -54.415 -25.475 0.40 51.97 ? 134 SER A CA 1 +ATOM 1288 C CA B SER A 1 134 ? 43.948 -54.410 -25.483 0.60 52.05 ? 134 SER A CA 1 +ATOM 1289 C C A SER A 1 134 ? 45.165 -55.292 -25.210 0.40 53.17 ? 134 SER A C 1 +ATOM 1290 C C B SER A 1 134 ? 45.158 -55.310 -25.242 0.60 53.30 ? 134 SER A C 1 +ATOM 1291 O O A SER A 1 134 ? 45.161 -56.124 -24.293 0.40 48.07 ? 134 SER A O 1 +ATOM 1292 O O B SER A 1 134 ? 45.132 -56.188 -24.372 0.60 47.93 ? 134 SER A O 1 +ATOM 1293 C CB A SER A 1 134 ? 43.051 -55.036 -26.561 0.40 49.94 ? 134 SER A CB 1 +ATOM 1294 C CB B SER A 1 134 ? 43.044 -55.004 -26.568 0.60 49.95 ? 134 SER A CB 1 +ATOM 1295 O OG A SER A 1 134 ? 43.786 -55.379 -27.733 0.40 48.19 ? 134 SER A OG 1 +ATOM 1296 O OG B SER A 1 134 ? 43.792 -55.405 -27.706 0.60 48.20 ? 134 SER A OG 1 +ATOM 1297 N N . TYR A 1 135 ? 46.229 -55.092 -26.008 1.00 46.86 ? 135 TYR A N 1 +ATOM 1298 C CA . TYR A 1 135 ? 47.483 -55.803 -25.800 1.00 51.16 ? 135 TYR A CA 1 +ATOM 1299 C C . TYR A 1 135 ? 48.122 -55.451 -24.458 1.00 53.33 ? 135 TYR A C 1 +ATOM 1300 O O . TYR A 1 135 ? 48.591 -56.346 -23.743 1.00 56.22 ? 135 TYR A O 1 +ATOM 1301 C CB . TYR A 1 135 ? 48.446 -55.478 -26.941 1.00 46.24 ? 135 TYR A CB 1 +ATOM 1302 C CG . TYR A 1 135 ? 49.650 -56.381 -27.006 1.00 54.25 ? 135 TYR A CG 1 +ATOM 1303 C CD1 . TYR A 1 135 ? 49.496 -57.762 -27.165 1.00 53.79 ? 135 TYR A CD1 1 +ATOM 1304 C CD2 . TYR A 1 135 ? 50.939 -55.866 -26.915 1.00 51.47 ? 135 TYR A CD2 1 +ATOM 1305 C CE1 . TYR A 1 135 ? 50.593 -58.602 -27.212 1.00 54.03 ? 135 TYR A CE1 1 +ATOM 1306 C CE2 . TYR A 1 135 ? 52.052 -56.699 -26.970 1.00 56.11 ? 135 TYR A CE2 1 +ATOM 1307 C CZ . TYR A 1 135 ? 51.872 -58.065 -27.115 1.00 58.50 ? 135 TYR A CZ 1 +ATOM 1308 O OH . TYR A 1 135 ? 52.968 -58.901 -27.166 1.00 63.63 ? 135 TYR A OH 1 +ATOM 1309 N N . ARG A 1 136 ? 48.147 -54.156 -24.096 1.00 51.76 ? 136 ARG A N 1 +ATOM 1310 C CA . ARG A 1 136 ? 48.775 -53.741 -22.841 1.00 54.20 ? 136 ARG A CA 1 +ATOM 1311 C C . ARG A 1 136 ? 48.008 -54.224 -21.619 1.00 53.11 ? 136 ARG A C 1 +ATOM 1312 O O . ARG A 1 136 ? 48.607 -54.381 -20.546 1.00 60.09 ? 136 ARG A O 1 +ATOM 1313 C CB . ARG A 1 136 ? 48.911 -52.210 -22.745 1.00 53.37 ? 136 ARG A CB 1 +ATOM 1314 C CG . ARG A 1 136 ? 49.414 -51.490 -23.982 1.00 53.23 ? 136 ARG A CG 1 +ATOM 1315 C CD . ARG A 1 136 ? 50.779 -51.965 -24.448 1.00 52.02 ? 136 ARG A CD 1 +ATOM 1316 N NE . ARG A 1 136 ? 51.320 -51.082 -25.471 1.00 51.74 ? 136 ARG A NE 1 +ATOM 1317 C CZ . ARG A 1 136 ? 52.164 -51.457 -26.422 1.00 59.71 ? 136 ARG A CZ 1 +ATOM 1318 N NH1 . ARG A 1 136 ? 52.642 -52.695 -26.476 1.00 53.75 ? 136 ARG A NH1 1 +ATOM 1319 N NH2 . ARG A 1 136 ? 52.525 -50.575 -27.351 1.00 50.40 ? 136 ARG A NH2 1 +ATOM 1320 N N A LEU A 1 137 ? 46.697 -54.446 -21.745 0.40 52.80 ? 137 LEU A N 1 +ATOM 1321 N N B LEU A 1 137 ? 46.705 -54.470 -21.743 0.60 52.92 ? 137 LEU A N 1 +ATOM 1322 C CA A LEU A 1 137 ? 45.876 -54.844 -20.607 0.40 50.26 ? 137 LEU A CA 1 +ATOM 1323 C CA B LEU A 1 137 ? 45.905 -54.902 -20.603 0.60 50.17 ? 137 LEU A CA 1 +ATOM 1324 C C A LEU A 1 137 ? 45.670 -56.344 -20.522 0.40 52.70 ? 137 LEU A C 1 +ATOM 1325 C C B LEU A 1 137 ? 45.716 -56.406 -20.536 0.60 52.84 ? 137 LEU A C 1 +ATOM 1326 O O A LEU A 1 137 ? 44.992 -56.809 -19.595 0.40 55.25 ? 137 LEU A O 1 +ATOM 1327 O O B LEU A 1 137 ? 45.056 -56.887 -19.607 0.60 55.61 ? 137 LEU A O 1 +ATOM 1328 C CB A LEU A 1 137 ? 44.516 -54.148 -20.653 0.40 43.80 ? 137 LEU A CB 1 +ATOM 1329 C CB B LEU A 1 137 ? 44.529 -54.227 -20.621 0.60 43.61 ? 137 LEU A CB 1 +ATOM 1330 C CG A LEU A 1 137 ? 44.563 -52.618 -20.621 0.40 51.90 ? 137 LEU A CG 1 +ATOM 1331 C CG B LEU A 1 137 ? 44.533 -52.699 -20.665 0.60 51.90 ? 137 LEU A CG 1 +ATOM 1332 C CD1 A LEU A 1 137 ? 43.148 -52.086 -20.472 0.40 48.39 ? 137 LEU A CD1 1 +ATOM 1333 C CD1 B LEU A 1 137 ? 43.112 -52.176 -20.435 0.60 48.35 ? 137 LEU A CD1 1 +ATOM 1334 C CD2 A LEU A 1 137 ? 45.456 -52.105 -19.491 0.40 49.51 ? 137 LEU A CD2 1 +ATOM 1335 C CD2 B LEU A 1 137 ? 45.519 -52.118 -19.647 0.60 49.39 ? 137 LEU A CD2 1 +ATOM 1336 N N A GLY A 1 138 ? 46.237 -57.110 -21.448 0.40 51.41 ? 138 GLY A N 1 +ATOM 1337 N N B GLY A 1 138 ? 46.265 -57.161 -21.487 0.60 51.35 ? 138 GLY A N 1 +ATOM 1338 C CA A GLY A 1 138 ? 46.054 -58.550 -21.421 0.40 53.01 ? 138 GLY A CA 1 +ATOM 1339 C CA B GLY A 1 138 ? 46.071 -58.600 -21.477 0.60 53.02 ? 138 GLY A CA 1 +ATOM 1340 C C A GLY A 1 138 ? 44.705 -59.025 -21.913 0.40 53.76 ? 138 GLY A C 1 +ATOM 1341 C C B GLY A 1 138 ? 44.704 -59.032 -21.954 0.60 53.84 ? 138 GLY A C 1 +ATOM 1342 O O A GLY A 1 138 ? 44.256 -60.099 -21.513 0.40 55.51 ? 138 GLY A O 1 +ATOM 1343 O O B GLY A 1 138 ? 44.194 -60.061 -21.504 0.60 55.67 ? 138 GLY A O 1 +ATOM 1344 N N A MET A 1 139 ? 44.053 -58.253 -22.780 0.40 54.67 ? 139 MET A N 1 +ATOM 1345 N N B MET A 1 139 ? 44.092 -58.264 -22.852 0.60 54.72 ? 139 MET A N 1 +ATOM 1346 C CA A MET A 1 139 ? 42.744 -58.549 -23.343 0.40 51.04 ? 139 MET A CA 1 +ATOM 1347 C CA B MET A 1 139 ? 42.770 -58.535 -23.395 0.60 51.00 ? 139 MET A CA 1 +ATOM 1348 C C A MET A 1 139 ? 42.860 -59.304 -24.652 0.40 48.66 ? 139 MET A C 1 +ATOM 1349 C C B MET A 1 139 ? 42.868 -59.310 -24.700 0.60 48.67 ? 139 MET A C 1 +ATOM 1350 O O A MET A 1 139 ? 43.899 -59.298 -25.320 0.40 52.37 ? 139 MET A O 1 +ATOM 1351 O O B MET A 1 139 ? 43.916 -59.374 -25.351 0.60 52.46 ? 139 MET A O 1 +ATOM 1352 C CB A MET A 1 139 ? 41.973 -57.256 -23.623 0.40 56.96 ? 139 MET A CB 1 +ATOM 1353 C CB B MET A 1 139 ? 42.016 -57.225 -23.662 0.60 57.06 ? 139 MET A CB 1 +ATOM 1354 C CG A MET A 1 139 ? 41.350 -56.607 -22.410 0.40 56.78 ? 139 MET A CG 1 +ATOM 1355 C CG B MET A 1 139 ? 41.359 -56.592 -22.465 0.60 56.98 ? 139 MET A CG 1 +ATOM 1356 S SD A MET A 1 139 ? 40.861 -54.930 -22.816 0.40 51.48 ? 139 MET A SD 1 +ATOM 1357 S SD B MET A 1 139 ? 40.891 -54.892 -22.851 0.60 51.49 ? 139 MET A SD 1 +ATOM 1358 C CE A MET A 1 139 ? 39.743 -55.180 -24.197 0.40 45.98 ? 139 MET A CE 1 +ATOM 1359 C CE B MET A 1 139 ? 39.732 -55.115 -24.199 0.60 45.95 ? 139 MET A CE 1 +ATOM 1360 N N A ARG A 1 140 ? 41.743 -59.892 -25.064 0.40 46.10 ? 140 ARG A N 1 +ATOM 1361 N N B ARG A 1 140 ? 41.736 -59.854 -25.114 0.60 45.99 ? 140 ARG A N 1 +ATOM 1362 C CA A ARG A 1 140 ? 41.657 -60.389 -26.417 0.40 47.35 ? 140 ARG A CA 1 +ATOM 1363 C CA B ARG A 1 140 ? 41.637 -60.355 -26.468 0.60 47.32 ? 140 ARG A CA 1 +ATOM 1364 C C A ARG A 1 140 ? 41.550 -59.200 -27.384 0.40 50.39 ? 140 ARG A C 1 +ATOM 1365 C C B ARG A 1 140 ? 41.521 -59.176 -27.431 0.60 50.38 ? 140 ARG A C 1 +ATOM 1366 O O A ARG A 1 140 ? 41.188 -58.091 -26.982 0.40 52.32 ? 140 ARG A O 1 +ATOM 1367 O O B ARG A 1 140 ? 41.092 -58.092 -27.047 0.60 52.54 ? 140 ARG A O 1 +ATOM 1368 C CB A ARG A 1 140 ? 40.492 -61.369 -26.541 0.40 45.43 ? 140 ARG A CB 1 +ATOM 1369 C CB B ARG A 1 140 ? 40.474 -61.338 -26.564 0.60 45.33 ? 140 ARG A CB 1 +ATOM 1370 C CG A ARG A 1 140 ? 40.929 -62.792 -26.171 0.40 48.82 ? 140 ARG A CG 1 +ATOM 1371 C CG B ARG A 1 140 ? 40.888 -62.734 -26.100 0.60 48.77 ? 140 ARG A CG 1 +ATOM 1372 C CD A ARG A 1 140 ? 39.840 -63.563 -25.453 0.40 51.89 ? 140 ARG A CD 1 +ATOM 1373 C CD B ARG A 1 140 ? 39.775 -63.507 -25.419 0.60 51.97 ? 140 ARG A CD 1 +ATOM 1374 N NE A ARG A 1 140 ? 38.633 -63.643 -26.268 0.40 53.91 ? 140 ARG A NE 1 +ATOM 1375 N NE B ARG A 1 140 ? 38.600 -63.609 -26.272 0.60 53.98 ? 140 ARG A NE 1 +ATOM 1376 C CZ A ARG A 1 140 ? 38.438 -64.535 -27.227 0.40 55.64 ? 140 ARG A CZ 1 +ATOM 1377 C CZ B ARG A 1 140 ? 38.462 -64.482 -27.259 0.60 55.65 ? 140 ARG A CZ 1 +ATOM 1378 N NH1 A ARG A 1 140 ? 39.367 -65.428 -27.541 0.40 51.48 ? 140 ARG A NH1 1 +ATOM 1379 N NH1 B ARG A 1 140 ? 39.408 -65.371 -27.537 0.60 51.49 ? 140 ARG A NH1 1 +ATOM 1380 N NH2 A ARG A 1 140 ? 37.279 -64.539 -27.883 0.40 54.33 ? 140 ARG A NH2 1 +ATOM 1381 N NH2 B ARG A 1 140 ? 37.344 -64.471 -27.978 0.60 54.37 ? 140 ARG A NH2 1 +ATOM 1382 N N A PRO A 1 141 ? 41.917 -59.388 -28.648 0.40 54.24 ? 141 PRO A N 1 +ATOM 1383 N N B PRO A 1 141 ? 41.945 -59.341 -28.681 0.60 54.31 ? 141 PRO A N 1 +ATOM 1384 C CA A PRO A 1 141 ? 42.295 -58.237 -29.493 0.40 53.31 ? 141 PRO A CA 1 +ATOM 1385 C CA B PRO A 1 141 ? 42.321 -58.168 -29.488 0.60 53.38 ? 141 PRO A CA 1 +ATOM 1386 C C A PRO A 1 141 ? 41.237 -57.666 -30.435 0.40 55.18 ? 141 PRO A C 1 +ATOM 1387 C C B PRO A 1 141 ? 41.290 -57.622 -30.473 0.60 55.40 ? 141 PRO A C 1 +ATOM 1388 O O A PRO A 1 141 ? 41.562 -56.725 -31.160 0.40 51.05 ? 141 PRO A O 1 +ATOM 1389 O O B PRO A 1 141 ? 41.624 -56.679 -31.196 0.60 51.15 ? 141 PRO A O 1 +ATOM 1390 C CB A PRO A 1 141 ? 43.449 -58.824 -30.318 0.40 48.95 ? 141 PRO A CB 1 +ATOM 1391 C CB B PRO A 1 141 ? 43.538 -58.707 -30.255 0.60 48.88 ? 141 PRO A CB 1 +ATOM 1392 C CG A PRO A 1 141 ? 43.039 -60.264 -30.516 0.40 53.87 ? 141 PRO A CG 1 +ATOM 1393 C CG B PRO A 1 141 ? 43.172 -60.138 -30.523 0.60 54.08 ? 141 PRO A CG 1 +ATOM 1394 C CD A PRO A 1 141 ? 42.295 -60.677 -29.266 0.40 47.91 ? 141 PRO A CD 1 +ATOM 1395 C CD B PRO A 1 141 ? 42.342 -60.602 -29.342 0.60 47.98 ? 141 PRO A CD 1 +ATOM 1396 N N A TRP A 1 142 ? 40.001 -58.145 -30.457 0.40 48.52 ? 142 TRP A N 1 +ATOM 1397 N N B TRP A 1 142 ? 40.068 -58.134 -30.530 0.60 48.55 ? 142 TRP A N 1 +ATOM 1398 C CA A TRP A 1 142 ? 39.190 -57.926 -31.647 0.40 53.44 ? 142 TRP A CA 1 +ATOM 1399 C CA B TRP A 1 142 ? 39.251 -57.928 -31.717 0.60 53.53 ? 142 TRP A CA 1 +ATOM 1400 C C A TRP A 1 142 ? 38.139 -56.818 -31.529 0.40 51.21 ? 142 TRP A C 1 +ATOM 1401 C C B TRP A 1 142 ? 38.209 -56.816 -31.597 0.60 51.27 ? 142 TRP A C 1 +ATOM 1402 O O A TRP A 1 142 ? 37.293 -56.700 -32.427 0.40 48.25 ? 142 TRP A O 1 +ATOM 1403 O O B TRP A 1 142 ? 37.395 -56.660 -32.515 0.60 48.35 ? 142 TRP A O 1 +ATOM 1404 C CB A TRP A 1 142 ? 38.526 -59.236 -32.061 0.40 51.02 ? 142 TRP A CB 1 +ATOM 1405 C CB B TRP A 1 142 ? 38.578 -59.244 -32.114 0.60 51.00 ? 142 TRP A CB 1 +ATOM 1406 C CG A TRP A 1 142 ? 39.516 -60.256 -32.498 0.40 50.57 ? 142 TRP A CG 1 +ATOM 1407 C CG B TRP A 1 142 ? 39.571 -60.272 -32.541 0.60 50.62 ? 142 TRP A CG 1 +ATOM 1408 C CD1 A TRP A 1 142 ? 40.495 -60.106 -33.450 0.40 53.52 ? 142 TRP A CD1 1 +ATOM 1409 C CD1 B TRP A 1 142 ? 40.559 -60.123 -33.481 0.60 53.57 ? 142 TRP A CD1 1 +ATOM 1410 C CD2 A TRP A 1 142 ? 39.625 -61.590 -32.017 0.40 47.26 ? 142 TRP A CD2 1 +ATOM 1411 C CD2 B TRP A 1 142 ? 39.680 -61.608 -32.057 0.60 47.10 ? 142 TRP A CD2 1 +ATOM 1412 N NE1 A TRP A 1 142 ? 41.202 -61.280 -33.594 0.40 49.27 ? 142 TRP A NE1 1 +ATOM 1413 N NE1 B TRP A 1 142 ? 41.272 -61.290 -33.610 0.60 49.12 ? 142 TRP A NE1 1 +ATOM 1414 C CE2 A TRP A 1 142 ? 40.685 -62.209 -32.727 0.40 54.30 ? 142 TRP A CE2 1 +ATOM 1415 C CE2 B TRP A 1 142 ? 40.748 -62.221 -32.751 0.60 54.42 ? 142 TRP A CE2 1 +ATOM 1416 C CE3 A TRP A 1 142 ? 38.927 -62.335 -31.055 0.40 54.43 ? 142 TRP A CE3 1 +ATOM 1417 C CE3 B TRP A 1 142 ? 38.970 -62.357 -31.112 0.60 54.58 ? 142 TRP A CE3 1 +ATOM 1418 C CZ2 A TRP A 1 142 ? 41.058 -63.542 -32.505 0.40 54.11 ? 142 TRP A CZ2 1 +ATOM 1419 C CZ2 B TRP A 1 142 ? 41.123 -63.552 -32.527 0.60 54.13 ? 142 TRP A CZ2 1 +ATOM 1420 C CZ3 A TRP A 1 142 ? 39.298 -63.658 -30.841 0.40 54.47 ? 142 TRP A CZ3 1 +ATOM 1421 C CZ3 B TRP A 1 142 ? 39.347 -63.678 -30.890 0.60 54.56 ? 142 TRP A CZ3 1 +ATOM 1422 C CH2 A TRP A 1 142 ? 40.360 -64.242 -31.564 0.40 54.27 ? 142 TRP A CH2 1 +ATOM 1423 C CH2 B TRP A 1 142 ? 40.416 -64.255 -31.594 0.60 54.25 ? 142 TRP A CH2 1 +ATOM 1424 N N A ILE A 1 143 ? 38.166 -55.995 -30.477 0.40 45.17 ? 143 ILE A N 1 +ATOM 1425 N N B ILE A 1 143 ? 38.213 -56.030 -30.516 0.60 45.13 ? 143 ILE A N 1 +ATOM 1426 C CA A ILE A 1 143 ? 37.254 -54.855 -30.457 0.40 49.40 ? 143 ILE A CA 1 +ATOM 1427 C CA B ILE A 1 143 ? 37.331 -54.863 -30.471 0.60 49.45 ? 143 ILE A CA 1 +ATOM 1428 C C A ILE A 1 143 ? 37.500 -53.960 -31.672 0.40 49.75 ? 143 ILE A C 1 +ATOM 1429 C C B ILE A 1 143 ? 37.571 -53.961 -31.683 0.60 49.86 ? 143 ILE A C 1 +ATOM 1430 O O A ILE A 1 143 ? 36.555 -53.443 -32.281 0.40 50.38 ? 143 ILE A O 1 +ATOM 1431 O O B ILE A 1 143 ? 36.621 -53.463 -32.302 0.60 50.59 ? 143 ILE A O 1 +ATOM 1432 C CB A ILE A 1 143 ? 37.381 -54.086 -29.129 0.40 48.96 ? 143 ILE A CB 1 +ATOM 1433 C CB B ILE A 1 143 ? 37.503 -54.107 -29.139 0.60 49.11 ? 143 ILE A CB 1 +ATOM 1434 C CG1 A ILE A 1 143 ? 36.720 -54.876 -28.005 0.40 46.68 ? 143 ILE A CG1 1 +ATOM 1435 C CG1 B ILE A 1 143 ? 36.835 -54.880 -28.001 0.60 46.76 ? 143 ILE A CG1 1 +ATOM 1436 C CG2 A ILE A 1 143 ? 36.734 -52.703 -29.211 0.40 42.00 ? 143 ILE A CG2 1 +ATOM 1437 C CG2 B ILE A 1 143 ? 36.917 -52.711 -29.226 0.60 41.91 ? 143 ILE A CG2 1 +ATOM 1438 C CD1 A ILE A 1 143 ? 36.931 -54.245 -26.636 0.40 43.96 ? 143 ILE A CD1 1 +ATOM 1439 C CD1 B ILE A 1 143 ? 37.039 -54.243 -26.633 0.60 43.87 ? 143 ILE A CD1 1 +ATOM 1440 N N A CYS A 1 144 ? 38.770 -53.822 -32.085 0.40 47.26 ? 144 CYS A N 1 +ATOM 1441 N N B CYS A 1 144 ? 38.839 -53.790 -32.080 0.60 47.22 ? 144 CYS A N 1 +ATOM 1442 C CA A CYS A 1 144 ? 39.087 -52.965 -33.217 0.40 45.48 ? 144 CYS A CA 1 +ATOM 1443 C CA B CYS A 1 144 ? 39.157 -52.964 -33.245 0.60 45.44 ? 144 CYS A CA 1 +ATOM 1444 C C A CYS A 1 144 ? 38.484 -53.498 -34.510 0.40 46.55 ? 144 CYS A C 1 +ATOM 1445 C C B CYS A 1 144 ? 38.544 -53.512 -34.531 0.60 46.58 ? 144 CYS A C 1 +ATOM 1446 O O A CYS A 1 144 ? 38.250 -52.725 -35.443 0.40 47.62 ? 144 CYS A O 1 +ATOM 1447 O O B CYS A 1 144 ? 38.298 -52.748 -35.470 0.60 47.75 ? 144 CYS A O 1 +ATOM 1448 C CB A CYS A 1 144 ? 40.606 -52.810 -33.361 0.40 44.56 ? 144 CYS A CB 1 +ATOM 1449 C CB B CYS A 1 144 ? 40.671 -52.832 -33.414 0.60 44.56 ? 144 CYS A CB 1 +ATOM 1450 S SG A CYS A 1 144 ? 41.484 -54.355 -33.811 0.40 52.76 ? 144 CYS A SG 1 +ATOM 1451 S SG B CYS A 1 144 ? 41.510 -54.377 -33.868 0.60 52.66 ? 144 CYS A SG 1 +ATOM 1452 N N A VAL A 1 145 ? 38.246 -54.807 -34.594 0.40 47.65 ? 145 VAL A N 1 +ATOM 1453 N N B VAL A 1 145 ? 38.301 -54.821 -34.603 0.60 47.77 ? 145 VAL A N 1 +ATOM 1454 C CA A VAL A 1 145 ? 37.614 -55.387 -35.776 0.40 41.75 ? 145 VAL A CA 1 +ATOM 1455 C CA B VAL A 1 145 ? 37.689 -55.391 -35.800 0.60 41.60 ? 145 VAL A CA 1 +ATOM 1456 C C A VAL A 1 145 ? 36.149 -54.974 -35.848 0.40 42.62 ? 145 VAL A C 1 +ATOM 1457 C C B VAL A 1 145 ? 36.228 -54.981 -35.891 0.60 42.51 ? 145 VAL A C 1 +ATOM 1458 O O A VAL A 1 145 ? 35.605 -54.771 -36.937 0.40 48.50 ? 145 VAL A O 1 +ATOM 1459 O O B VAL A 1 145 ? 35.696 -54.788 -36.988 0.60 48.74 ? 145 VAL A O 1 +ATOM 1460 C CB A VAL A 1 145 ? 37.771 -56.920 -35.750 0.40 46.75 ? 145 VAL A CB 1 +ATOM 1461 C CB B VAL A 1 145 ? 37.863 -56.926 -35.797 0.60 46.89 ? 145 VAL A CB 1 +ATOM 1462 C CG1 A VAL A 1 145 ? 36.936 -57.586 -36.863 0.40 44.16 ? 145 VAL A CG1 1 +ATOM 1463 C CG1 B VAL A 1 145 ? 37.079 -57.584 -36.938 0.60 44.16 ? 145 VAL A CG1 1 +ATOM 1464 C CG2 A VAL A 1 145 ? 39.239 -57.308 -35.865 0.40 48.48 ? 145 VAL A CG2 1 +ATOM 1465 C CG2 B VAL A 1 145 ? 39.345 -57.280 -35.887 0.60 48.51 ? 145 VAL A CG2 1 +ATOM 1466 N N A ALA A 1 146 ? 35.479 -54.850 -34.698 0.40 49.34 ? 146 ALA A N 1 +ATOM 1467 N N B ALA A 1 146 ? 35.560 -54.820 -34.748 0.60 49.58 ? 146 ALA A N 1 +ATOM 1468 C CA A ALA A 1 146 ? 34.127 -54.313 -34.719 0.40 49.57 ? 146 ALA A CA 1 +ATOM 1469 C CA B ALA A 1 146 ? 34.200 -54.296 -34.755 0.60 49.69 ? 146 ALA A CA 1 +ATOM 1470 C C A ALA A 1 146 ? 34.128 -52.856 -35.185 0.40 52.78 ? 146 ALA A C 1 +ATOM 1471 C C B ALA A 1 146 ? 34.173 -52.842 -35.218 0.60 53.01 ? 146 ALA A C 1 +ATOM 1472 O O A ALA A 1 146 ? 33.248 -52.434 -35.949 0.40 50.49 ? 146 ALA A O 1 +ATOM 1473 O O B ALA A 1 146 ? 33.297 -52.444 -35.997 0.60 50.61 ? 146 ALA A O 1 +ATOM 1474 C CB A ALA A 1 146 ? 33.499 -54.456 -33.341 0.40 40.44 ? 146 ALA A CB 1 +ATOM 1475 C CB B ALA A 1 146 ? 33.585 -54.443 -33.365 0.60 40.29 ? 146 ALA A CB 1 +ATOM 1476 N N A TYR A 1 147 ? 35.136 -52.082 -34.774 0.40 48.48 ? 147 TYR A N 1 +ATOM 1477 N N B TYR A 1 147 ? 35.137 -52.038 -34.762 0.60 48.54 ? 147 TYR A N 1 +ATOM 1478 C CA A TYR A 1 147 ? 35.216 -50.683 -35.184 0.40 47.72 ? 147 TYR A CA 1 +ATOM 1479 C CA B TYR A 1 147 ? 35.234 -50.647 -35.187 0.60 47.79 ? 147 TYR A CA 1 +ATOM 1480 C C A TYR A 1 147 ? 35.556 -50.521 -36.665 0.40 45.15 ? 147 TYR A C 1 +ATOM 1481 C C B TYR A 1 147 ? 35.576 -50.510 -36.671 0.60 45.15 ? 147 TYR A C 1 +ATOM 1482 O O A TYR A 1 147 ? 35.256 -49.471 -37.249 0.40 47.79 ? 147 TYR A O 1 +ATOM 1483 O O B TYR A 1 147 ? 35.301 -49.467 -37.266 0.60 47.90 ? 147 TYR A O 1 +ATOM 1484 C CB A TYR A 1 147 ? 36.241 -49.955 -34.319 0.40 41.60 ? 147 TYR A CB 1 +ATOM 1485 C CB B TYR A 1 147 ? 36.275 -49.927 -34.326 0.60 41.45 ? 147 TYR A CB 1 +ATOM 1486 C CG A TYR A 1 147 ? 36.446 -48.490 -34.663 0.40 47.43 ? 147 TYR A CG 1 +ATOM 1487 C CG B TYR A 1 147 ? 36.482 -48.465 -34.665 0.60 47.53 ? 147 TYR A CG 1 +ATOM 1488 C CD1 A TYR A 1 147 ? 35.479 -47.533 -34.349 0.40 46.24 ? 147 TYR A CD1 1 +ATOM 1489 C CD1 B TYR A 1 147 ? 35.515 -47.512 -34.353 0.60 46.30 ? 147 TYR A CD1 1 +ATOM 1490 C CD2 A TYR A 1 147 ? 37.616 -48.062 -35.283 0.40 44.96 ? 147 TYR A CD2 1 +ATOM 1491 C CD2 B TYR A 1 147 ? 37.648 -48.034 -35.293 0.60 44.95 ? 147 TYR A CD2 1 +ATOM 1492 C CE1 A TYR A 1 147 ? 35.668 -46.191 -34.663 0.40 47.17 ? 147 TYR A CE1 1 +ATOM 1493 C CE1 B TYR A 1 147 ? 35.703 -46.166 -34.663 0.60 47.22 ? 147 TYR A CE1 1 +ATOM 1494 C CE2 A TYR A 1 147 ? 37.818 -46.726 -35.591 0.40 44.07 ? 147 TYR A CE2 1 +ATOM 1495 C CE2 B TYR A 1 147 ? 37.847 -46.692 -35.600 0.60 43.97 ? 147 TYR A CE2 1 +ATOM 1496 C CZ A TYR A 1 147 ? 36.837 -45.796 -35.279 0.40 49.56 ? 147 TYR A CZ 1 +ATOM 1497 C CZ B TYR A 1 147 ? 36.872 -45.767 -35.280 0.60 49.73 ? 147 TYR A CZ 1 +ATOM 1498 O OH A TYR A 1 147 ? 37.044 -44.464 -35.558 0.40 49.07 ? 147 TYR A OH 1 +ATOM 1499 O OH B TYR A 1 147 ? 37.070 -44.439 -35.580 0.60 49.15 ? 147 TYR A OH 1 +ATOM 1500 N N . SER A 1 148 ? 36.163 -51.534 -37.285 1.00 43.06 ? 148 SER A N 1 +ATOM 1501 C CA . SER A 1 148 ? 36.443 -51.462 -38.709 1.00 44.84 ? 148 SER A CA 1 +ATOM 1502 C C . SER A 1 148 ? 35.174 -51.284 -39.543 1.00 48.62 ? 148 SER A C 1 +ATOM 1503 O O . SER A 1 148 ? 35.266 -50.793 -40.676 1.00 44.34 ? 148 SER A O 1 +ATOM 1504 C CB . SER A 1 148 ? 37.181 -52.716 -39.191 1.00 46.75 ? 148 SER A CB 1 +ATOM 1505 O OG . SER A 1 148 ? 36.274 -53.790 -39.391 1.00 46.01 ? 148 SER A OG 1 +ATOM 1506 N N A ALA A 1 149 ? 33.996 -51.680 -39.018 0.40 41.38 ? 149 ALA A N 1 +ATOM 1507 N N B ALA A 1 149 ? 33.996 -51.667 -39.023 0.60 41.25 ? 149 ALA A N 1 +ATOM 1508 C CA A ALA A 1 149 ? 32.789 -51.502 -39.828 0.40 50.92 ? 149 ALA A CA 1 +ATOM 1509 C CA B ALA A 1 149 ? 32.781 -51.500 -39.822 0.60 51.17 ? 149 ALA A CA 1 +ATOM 1510 C C A ALA A 1 149 ? 32.394 -50.028 -39.942 0.40 44.67 ? 149 ALA A C 1 +ATOM 1511 C C B ALA A 1 149 ? 32.411 -50.028 -39.965 0.60 44.65 ? 149 ALA A C 1 +ATOM 1512 O O A ALA A 1 149 ? 32.241 -49.541 -41.076 0.40 52.61 ? 149 ALA A O 1 +ATOM 1513 O O B ALA A 1 149 ? 32.300 -49.545 -41.107 0.60 52.91 ? 149 ALA A O 1 +ATOM 1514 C CB A ALA A 1 149 ? 31.651 -52.385 -39.305 0.40 45.59 ? 149 ALA A CB 1 +ATOM 1515 C CB B ALA A 1 149 ? 31.642 -52.355 -39.251 0.60 45.64 ? 149 ALA A CB 1 +ATOM 1516 N N A PRO A 1 150 ? 32.223 -49.261 -38.856 0.40 44.06 ? 150 PRO A N 1 +ATOM 1517 N N B PRO A 1 150 ? 32.225 -49.254 -38.889 0.60 44.00 ? 150 PRO A N 1 +ATOM 1518 C CA A PRO A 1 150 ? 32.004 -47.814 -39.064 0.40 47.01 ? 150 PRO A CA 1 +ATOM 1519 C CA B PRO A 1 150 ? 31.999 -47.813 -39.105 0.60 47.02 ? 150 PRO A CA 1 +ATOM 1520 C C A PRO A 1 150 ? 33.173 -47.140 -39.758 0.40 43.73 ? 150 PRO A C 1 +ATOM 1521 C C B PRO A 1 150 ? 33.184 -47.138 -39.766 0.60 43.65 ? 150 PRO A C 1 +ATOM 1522 O O A PRO A 1 150 ? 32.956 -46.267 -40.597 0.40 47.46 ? 150 PRO A O 1 +ATOM 1523 O O B PRO A 1 150 ? 32.990 -46.247 -40.596 0.60 47.64 ? 150 PRO A O 1 +ATOM 1524 C CB A PRO A 1 150 ? 31.777 -47.267 -37.644 0.40 41.80 ? 150 PRO A CB 1 +ATOM 1525 C CB B PRO A 1 150 ? 31.728 -47.274 -37.691 0.60 41.70 ? 150 PRO A CB 1 +ATOM 1526 C CG A PRO A 1 150 ? 32.268 -48.333 -36.715 0.40 42.75 ? 150 PRO A CG 1 +ATOM 1527 C CG B PRO A 1 150 ? 32.324 -48.280 -36.772 0.60 42.72 ? 150 PRO A CG 1 +ATOM 1528 C CD A PRO A 1 150 ? 32.071 -49.628 -37.437 0.40 41.79 ? 150 PRO A CD 1 +ATOM 1529 C CD B PRO A 1 150 ? 32.148 -49.597 -37.453 0.60 41.71 ? 150 PRO A CD 1 +ATOM 1530 N N . LEU A 1 151 ? 34.413 -47.556 -39.454 1.00 47.04 ? 151 LEU A N 1 +ATOM 1531 C CA . LEU A 1 151 ? 35.574 -46.944 -40.102 1.00 45.66 ? 151 LEU A CA 1 +ATOM 1532 C C . LEU A 1 151 ? 35.568 -47.177 -41.617 1.00 46.65 ? 151 LEU A C 1 +ATOM 1533 O O . LEU A 1 151 ? 35.825 -46.247 -42.393 1.00 49.13 ? 151 LEU A O 1 +ATOM 1534 C CB . LEU A 1 151 ? 36.874 -47.459 -39.496 1.00 49.35 ? 151 LEU A CB 1 +ATOM 1535 C CG . LEU A 1 151 ? 38.099 -46.803 -40.158 1.00 51.11 ? 151 LEU A CG 1 +ATOM 1536 C CD1 . LEU A 1 151 ? 38.068 -45.290 -39.961 1.00 45.42 ? 151 LEU A CD1 1 +ATOM 1537 C CD2 . LEU A 1 151 ? 39.405 -47.368 -39.631 1.00 57.64 ? 151 LEU A CD2 1 +ATOM 1538 N N A ALA A 1 152 ? 35.270 -48.412 -42.052 0.40 48.28 ? 152 ALA A N 1 +ATOM 1539 N N B ALA A 1 152 ? 35.288 -48.405 -42.059 0.60 48.41 ? 152 ALA A N 1 +ATOM 1540 C CA A ALA A 1 152 ? 35.170 -48.688 -43.486 0.40 44.50 ? 152 ALA A CA 1 +ATOM 1541 C CA B ALA A 1 152 ? 35.218 -48.648 -43.501 0.60 44.34 ? 152 ALA A CA 1 +ATOM 1542 C C A ALA A 1 152 ? 34.108 -47.812 -44.135 0.40 44.10 ? 152 ALA A C 1 +ATOM 1543 C C B ALA A 1 152 ? 34.142 -47.792 -44.158 0.60 44.12 ? 152 ALA A C 1 +ATOM 1544 O O A ALA A 1 152 ? 34.266 -47.363 -45.275 0.40 46.26 ? 152 ALA A O 1 +ATOM 1545 O O B ALA A 1 152 ? 34.314 -47.339 -45.295 0.60 46.36 ? 152 ALA A O 1 +ATOM 1546 C CB A ALA A 1 152 ? 34.851 -50.166 -43.722 0.40 42.19 ? 152 ALA A CB 1 +ATOM 1547 C CB B ALA A 1 152 ? 34.951 -50.127 -43.782 0.60 42.15 ? 152 ALA A CB 1 +ATOM 1548 N N A SER A 1 153 ? 33.026 -47.542 -43.411 0.40 43.46 ? 153 SER A N 1 +ATOM 1549 N N B SER A 1 153 ? 33.037 -47.547 -43.448 0.60 43.45 ? 153 SER A N 1 +ATOM 1550 C CA A SER A 1 153 ? 31.953 -46.735 -43.965 0.40 43.05 ? 153 SER A CA 1 +ATOM 1551 C CA B SER A 1 153 ? 31.956 -46.745 -44.000 0.60 43.00 ? 153 SER A CA 1 +ATOM 1552 C C A SER A 1 153 ? 32.401 -45.300 -44.199 0.40 47.88 ? 153 SER A C 1 +ATOM 1553 C C B SER A 1 153 ? 32.394 -45.301 -44.212 0.60 48.01 ? 153 SER A C 1 +ATOM 1554 O O A SER A 1 153 ? 32.035 -44.694 -45.211 0.40 47.86 ? 153 SER A O 1 +ATOM 1555 O O B SER A 1 153 ? 32.015 -44.670 -45.207 0.60 48.01 ? 153 SER A O 1 +ATOM 1556 C CB A SER A 1 153 ? 30.753 -46.788 -43.034 0.40 44.77 ? 153 SER A CB 1 +ATOM 1557 C CB B SER A 1 153 ? 30.751 -46.799 -43.072 0.60 44.78 ? 153 SER A CB 1 +ATOM 1558 O OG A SER A 1 153 ? 30.295 -48.123 -42.927 0.40 49.57 ? 153 SER A OG 1 +ATOM 1559 O OG B SER A 1 153 ? 30.314 -48.129 -42.883 0.60 49.72 ? 153 SER A OG 1 +ATOM 1560 N N A ALA A 1 154 ? 33.181 -44.733 -43.271 0.40 45.86 ? 154 ALA A N 1 +ATOM 1561 N N B ALA A 1 154 ? 33.184 -44.761 -43.281 0.60 45.89 ? 154 ALA A N 1 +ATOM 1562 C CA A ALA A 1 154 ? 33.675 -43.373 -43.459 0.40 47.62 ? 154 ALA A CA 1 +ATOM 1563 C CA B ALA A 1 154 ? 33.699 -43.407 -43.445 0.60 47.75 ? 154 ALA A CA 1 +ATOM 1564 C C A ALA A 1 154 ? 34.623 -43.302 -44.648 0.40 44.52 ? 154 ALA A C 1 +ATOM 1565 C C B ALA A 1 154 ? 34.633 -43.326 -44.644 0.60 44.53 ? 154 ALA A C 1 +ATOM 1566 O O A ALA A 1 154 ? 34.532 -42.381 -45.461 0.40 49.07 ? 154 ALA A O 1 +ATOM 1567 O O B ALA A 1 154 ? 34.542 -42.389 -45.445 0.60 49.28 ? 154 ALA A O 1 +ATOM 1568 C CB A ALA A 1 154 ? 34.357 -42.875 -42.181 0.40 46.98 ? 154 ALA A CB 1 +ATOM 1569 C CB B ALA A 1 154 ? 34.404 -42.953 -42.161 0.60 46.90 ? 154 ALA A CB 1 +ATOM 1570 N N A PHE A 1 155 ? 35.506 -44.300 -44.794 0.40 46.84 ? 155 PHE A N 1 +ATOM 1571 N N B PHE A 1 155 ? 35.507 -44.331 -44.815 0.60 46.90 ? 155 PHE A N 1 +ATOM 1572 C CA A PHE A 1 155 ? 36.363 -44.363 -45.977 0.40 45.40 ? 155 PHE A CA 1 +ATOM 1573 C CA B PHE A 1 155 ? 36.375 -44.361 -45.994 0.60 45.37 ? 155 PHE A CA 1 +ATOM 1574 C C A PHE A 1 155 ? 35.534 -44.396 -47.248 0.40 41.40 ? 155 PHE A C 1 +ATOM 1575 C C B PHE A 1 155 ? 35.552 -44.388 -47.269 0.60 41.20 ? 155 PHE A C 1 +ATOM 1576 O O A PHE A 1 155 ? 35.913 -43.796 -48.261 0.40 46.53 ? 155 PHE A O 1 +ATOM 1577 O O B PHE A 1 155 ? 35.944 -43.801 -48.284 0.60 46.68 ? 155 PHE A O 1 +ATOM 1578 C CB A PHE A 1 155 ? 37.291 -45.591 -45.905 0.40 46.31 ? 155 PHE A CB 1 +ATOM 1579 C CB B PHE A 1 155 ? 37.320 -45.569 -45.944 0.60 46.29 ? 155 PHE A CB 1 +ATOM 1580 C CG A PHE A 1 155 ? 38.624 -45.301 -45.248 0.40 53.05 ? 155 PHE A CG 1 +ATOM 1581 C CG B PHE A 1 155 ? 38.623 -45.291 -45.240 0.60 53.21 ? 155 PHE A CG 1 +ATOM 1582 C CD1 A PHE A 1 155 ? 39.689 -44.796 -45.988 0.40 49.63 ? 155 PHE A CD1 1 +ATOM 1583 C CD1 B PHE A 1 155 ? 39.715 -44.802 -45.937 0.60 49.65 ? 155 PHE A CD1 1 +ATOM 1584 C CD2 A PHE A 1 155 ? 38.805 -45.496 -43.885 0.40 48.03 ? 155 PHE A CD2 1 +ATOM 1585 C CD2 B PHE A 1 155 ? 38.752 -45.509 -43.874 0.60 47.97 ? 155 PHE A CD2 1 +ATOM 1586 C CE1 A PHE A 1 155 ? 40.914 -44.502 -45.376 0.40 49.76 ? 155 PHE A CE1 1 +ATOM 1587 C CE1 B PHE A 1 155 ? 40.919 -44.536 -45.289 0.60 49.64 ? 155 PHE A CE1 1 +ATOM 1588 C CE2 A PHE A 1 155 ? 40.030 -45.222 -43.276 0.40 48.97 ? 155 PHE A CE2 1 +ATOM 1589 C CE2 B PHE A 1 155 ? 39.951 -45.250 -43.223 0.60 48.93 ? 155 PHE A CE2 1 +ATOM 1590 C CZ A PHE A 1 155 ? 41.085 -44.724 -44.030 0.40 50.83 ? 155 PHE A CZ 1 +ATOM 1591 C CZ B PHE A 1 155 ? 41.035 -44.761 -43.929 0.60 50.81 ? 155 PHE A CZ 1 +ATOM 1592 N N A ALA A 1 156 ? 34.399 -45.101 -47.217 0.40 43.87 ? 156 ALA A N 1 +ATOM 1593 N N B ALA A 1 156 ? 34.398 -45.058 -47.231 0.60 43.85 ? 156 ALA A N 1 +ATOM 1594 C CA A ALA A 1 156 ? 33.600 -45.264 -48.427 0.40 43.76 ? 156 ALA A CA 1 +ATOM 1595 C CA B ALA A 1 156 ? 33.611 -45.238 -48.445 0.60 43.68 ? 156 ALA A CA 1 +ATOM 1596 C C A ALA A 1 156 ? 33.056 -43.924 -48.918 0.40 45.81 ? 156 ALA A C 1 +ATOM 1597 C C B ALA A 1 156 ? 33.045 -43.909 -48.934 0.60 45.86 ? 156 ALA A C 1 +ATOM 1598 O O A ALA A 1 156 ? 33.124 -43.623 -50.117 0.40 47.25 ? 156 ALA A O 1 +ATOM 1599 O O B ALA A 1 156 ? 33.140 -43.590 -50.125 0.60 47.41 ? 156 ALA A O 1 +ATOM 1600 C CB A ALA A 1 156 ? 32.458 -46.254 -48.176 0.40 45.22 ? 156 ALA A CB 1 +ATOM 1601 C CB B ALA A 1 156 ? 32.495 -46.258 -48.201 0.60 45.29 ? 156 ALA A CB 1 +ATOM 1602 N N A VAL A 1 157 ? 32.516 -43.101 -48.011 0.40 41.21 ? 157 VAL A N 1 +ATOM 1603 N N B VAL A 1 157 ? 32.474 -43.104 -48.028 0.60 41.16 ? 157 VAL A N 1 +ATOM 1604 C CA A VAL A 1 157 ? 31.847 -41.879 -48.459 0.40 40.44 ? 157 VAL A CA 1 +ATOM 1605 C CA B VAL A 1 157 ? 31.809 -41.877 -48.465 0.60 40.36 ? 157 VAL A CA 1 +ATOM 1606 C C A VAL A 1 157 ? 32.796 -40.684 -48.558 0.40 41.61 ? 157 VAL A C 1 +ATOM 1607 C C B VAL A 1 157 ? 32.750 -40.677 -48.559 0.60 41.57 ? 157 VAL A C 1 +ATOM 1608 O O A VAL A 1 157 ? 32.482 -39.710 -49.258 0.40 46.47 ? 157 VAL A O 1 +ATOM 1609 O O B VAL A 1 157 ? 32.420 -39.701 -49.246 0.60 46.66 ? 157 VAL A O 1 +ATOM 1610 C CB A VAL A 1 157 ? 30.643 -41.560 -47.546 0.40 40.61 ? 157 VAL A CB 1 +ATOM 1611 C CB B VAL A 1 157 ? 30.600 -41.573 -47.554 0.60 40.59 ? 157 VAL A CB 1 +ATOM 1612 C CG1 A VAL A 1 157 ? 29.675 -42.766 -47.505 0.40 37.89 ? 157 VAL A CG1 1 +ATOM 1613 C CG1 B VAL A 1 157 ? 29.661 -42.803 -47.516 0.60 37.81 ? 157 VAL A CG1 1 +ATOM 1614 C CG2 A VAL A 1 157 ? 31.105 -41.199 -46.110 0.40 41.01 ? 157 VAL A CG2 1 +ATOM 1615 C CG2 B VAL A 1 157 ? 31.043 -41.153 -46.120 0.60 40.97 ? 157 VAL A CG2 1 +ATOM 1616 N N A PHE A 1 158 ? 33.963 -40.738 -47.912 0.40 43.29 ? 158 PHE A N 1 +ATOM 1617 N N B PHE A 1 158 ? 33.926 -40.735 -47.936 0.60 43.25 ? 158 PHE A N 1 +ATOM 1618 C CA A PHE A 1 158 ? 34.899 -39.619 -47.967 0.40 45.32 ? 158 PHE A CA 1 +ATOM 1619 C CA B PHE A 1 158 ? 34.872 -39.624 -47.973 0.60 45.33 ? 158 PHE A CA 1 +ATOM 1620 C C A PHE A 1 158 ? 36.066 -39.861 -48.920 0.40 49.47 ? 158 PHE A C 1 +ATOM 1621 C C B PHE A 1 158 ? 36.045 -39.849 -48.920 0.60 49.59 ? 158 PHE A C 1 +ATOM 1622 O O A PHE A 1 158 ? 36.700 -38.900 -49.360 0.40 48.45 ? 158 PHE A O 1 +ATOM 1623 O O B PHE A 1 158 ? 36.665 -38.873 -49.350 0.60 48.61 ? 158 PHE A O 1 +ATOM 1624 C CB A PHE A 1 158 ? 35.458 -39.313 -46.564 0.40 44.12 ? 158 PHE A CB 1 +ATOM 1625 C CB B PHE A 1 158 ? 35.433 -39.349 -46.567 0.60 44.09 ? 158 PHE A CB 1 +ATOM 1626 C CG A PHE A 1 158 ? 34.422 -38.814 -45.574 0.40 43.01 ? 158 PHE A CG 1 +ATOM 1627 C CG B PHE A 1 158 ? 34.404 -38.853 -45.579 0.60 42.92 ? 158 PHE A CG 1 +ATOM 1628 C CD1 A PHE A 1 158 ? 33.424 -37.933 -45.965 0.40 45.58 ? 158 PHE A CD1 1 +ATOM 1629 C CD1 B PHE A 1 158 ? 33.401 -37.980 -45.975 0.60 45.69 ? 158 PHE A CD1 1 +ATOM 1630 C CD2 A PHE A 1 158 ? 34.460 -39.217 -44.251 0.40 45.78 ? 158 PHE A CD2 1 +ATOM 1631 C CD2 B PHE A 1 158 ? 34.448 -39.254 -44.256 0.60 45.80 ? 158 PHE A CD2 1 +ATOM 1632 C CE1 A PHE A 1 158 ? 32.479 -37.485 -45.062 0.40 42.87 ? 158 PHE A CE1 1 +ATOM 1633 C CE1 B PHE A 1 158 ? 32.463 -37.526 -45.072 0.60 42.87 ? 158 PHE A CE1 1 +ATOM 1634 C CE2 A PHE A 1 158 ? 33.521 -38.764 -43.322 0.40 46.90 ? 158 PHE A CE2 1 +ATOM 1635 C CE2 B PHE A 1 158 ? 33.508 -38.797 -43.337 0.60 46.99 ? 158 PHE A CE2 1 +ATOM 1636 C CZ A PHE A 1 158 ? 32.528 -37.899 -43.725 0.40 44.40 ? 158 PHE A CZ 1 +ATOM 1637 C CZ B PHE A 1 158 ? 32.513 -37.937 -43.745 0.60 44.48 ? 158 PHE A CZ 1 +ATOM 1638 N N A LEU A 1 159 ? 36.376 -41.111 -49.250 0.40 49.37 ? 159 LEU A N 1 +ATOM 1639 N N B LEU A 1 159 ? 36.382 -41.096 -49.241 0.60 49.49 ? 159 LEU A N 1 +ATOM 1640 C CA A LEU A 1 159 ? 37.575 -41.358 -50.043 0.40 53.04 ? 159 LEU A CA 1 +ATOM 1641 C CA B LEU A 1 159 ? 37.591 -41.343 -50.020 0.60 53.19 ? 159 LEU A CA 1 +ATOM 1642 C C A LEU A 1 159 ? 37.307 -42.277 -51.236 0.40 56.13 ? 159 LEU A C 1 +ATOM 1643 C C B LEU A 1 159 ? 37.325 -42.250 -51.220 0.60 56.43 ? 159 LEU A C 1 +ATOM 1644 O O A LEU A 1 159 ? 37.689 -41.953 -52.360 0.40 50.09 ? 159 LEU A O 1 +ATOM 1645 O O B LEU A 1 159 ? 37.649 -41.885 -52.354 0.60 50.22 ? 159 LEU A O 1 +ATOM 1646 C CB A LEU A 1 159 ? 38.678 -41.957 -49.158 0.40 45.22 ? 159 LEU A CB 1 +ATOM 1647 C CB B LEU A 1 159 ? 38.685 -41.958 -49.130 0.60 45.07 ? 159 LEU A CB 1 +ATOM 1648 C CG A LEU A 1 159 ? 40.023 -42.090 -49.880 0.40 52.46 ? 159 LEU A CG 1 +ATOM 1649 C CG B LEU A 1 159 ? 40.025 -42.149 -49.852 0.60 52.54 ? 159 LEU A CG 1 +ATOM 1650 C CD1 A LEU A 1 159 ? 40.580 -40.713 -50.197 0.40 56.17 ? 159 LEU A CD1 1 +ATOM 1651 C CD1 B LEU A 1 159 ? 40.605 -40.801 -50.254 0.60 56.24 ? 159 LEU A CD1 1 +ATOM 1652 C CD2 A LEU A 1 159 ? 41.035 -42.917 -49.111 0.40 47.86 ? 159 LEU A CD2 1 +ATOM 1653 C CD2 B LEU A 1 159 ? 41.025 -42.931 -49.023 0.60 47.88 ? 159 LEU A CD2 1 +ATOM 1654 N N A ILE A 1 160 ? 36.686 -43.440 -51.015 0.40 45.88 ? 160 ILE A N 1 +ATOM 1655 N N B ILE A 1 160 ? 36.749 -43.437 -50.990 0.60 45.85 ? 160 ILE A N 1 +ATOM 1656 C CA A ILE A 1 160 ? 36.553 -44.395 -52.116 0.40 47.32 ? 160 ILE A CA 1 +ATOM 1657 C CA B ILE A 1 160 ? 36.609 -44.406 -52.077 0.60 47.37 ? 160 ILE A CA 1 +ATOM 1658 C C A ILE A 1 160 ? 35.570 -43.875 -53.159 0.40 44.48 ? 160 ILE A C 1 +ATOM 1659 C C B ILE A 1 160 ? 35.642 -43.893 -53.139 0.60 44.42 ? 160 ILE A C 1 +ATOM 1660 O O A ILE A 1 160 ? 35.837 -43.922 -54.362 0.40 44.84 ? 160 ILE A O 1 +ATOM 1661 O O B ILE A 1 160 ? 35.944 -43.921 -54.338 0.60 45.02 ? 160 ILE A O 1 +ATOM 1662 C CB A ILE A 1 160 ? 36.144 -45.786 -51.589 0.40 50.67 ? 160 ILE A CB 1 +ATOM 1663 C CB B ILE A 1 160 ? 36.171 -45.780 -51.530 0.60 50.84 ? 160 ILE A CB 1 +ATOM 1664 C CG1 A ILE A 1 160 ? 37.055 -46.211 -50.423 0.40 46.95 ? 160 ILE A CG1 1 +ATOM 1665 C CG1 B ILE A 1 160 ? 37.123 -46.248 -50.421 0.60 47.01 ? 160 ILE A CG1 1 +ATOM 1666 C CG2 A ILE A 1 160 ? 36.218 -46.830 -52.707 0.40 44.78 ? 160 ILE A CG2 1 +ATOM 1667 C CG2 B ILE A 1 160 ? 36.106 -46.820 -52.665 0.60 44.76 ? 160 ILE A CG2 1 +ATOM 1668 C CD1 A ILE A 1 160 ? 38.523 -46.388 -50.823 0.40 47.11 ? 160 ILE A CD1 1 +ATOM 1669 C CD1 B ILE A 1 160 ? 38.566 -46.397 -50.883 0.60 47.04 ? 160 ILE A CD1 1 +ATOM 1670 N N A TYR A 1 161 ? 34.415 -43.373 -52.723 0.40 46.65 ? 161 TYR A N 1 +ATOM 1671 N N B TYR A 1 161 ? 34.468 -43.413 -52.721 0.60 46.76 ? 161 TYR A N 1 +ATOM 1672 C CA A TYR A 1 161 ? 33.460 -42.859 -53.702 0.40 46.66 ? 161 TYR A CA 1 +ATOM 1673 C CA B TYR A 1 161 ? 33.509 -42.905 -53.703 0.60 46.62 ? 161 TYR A CA 1 +ATOM 1674 C C A TYR A 1 161 ? 34.053 -41.711 -54.515 0.40 47.68 ? 161 TYR A C 1 +ATOM 1675 C C B TYR A 1 161 ? 34.067 -41.740 -54.516 0.60 47.72 ? 161 TYR A C 1 +ATOM 1676 O O A TYR A 1 161 ? 33.913 -41.726 -55.748 0.40 47.03 ? 161 TYR A O 1 +ATOM 1677 O O B TYR A 1 161 ? 33.844 -41.718 -55.737 0.60 47.01 ? 161 TYR A O 1 +ATOM 1678 C CB A TYR A 1 161 ? 32.141 -42.462 -53.014 0.40 43.19 ? 161 TYR A CB 1 +ATOM 1679 C CB B TYR A 1 161 ? 32.188 -42.509 -53.017 0.60 43.29 ? 161 TYR A CB 1 +ATOM 1680 C CG A TYR A 1 161 ? 31.062 -42.219 -54.052 0.40 45.23 ? 161 TYR A CG 1 +ATOM 1681 C CG B TYR A 1 161 ? 31.094 -42.252 -54.024 0.60 45.30 ? 161 TYR A CG 1 +ATOM 1682 C CD1 A TYR A 1 161 ? 30.573 -43.267 -54.819 0.40 39.74 ? 161 TYR A CD1 1 +ATOM 1683 C CD1 B TYR A 1 161 ? 30.588 -43.291 -54.789 0.60 39.59 ? 161 TYR A CD1 1 +ATOM 1684 C CD2 A TYR A 1 161 ? 30.568 -40.945 -54.299 0.40 42.65 ? 161 TYR A CD2 1 +ATOM 1685 C CD2 B TYR A 1 161 ? 30.590 -40.967 -54.241 0.60 42.64 ? 161 TYR A CD2 1 +ATOM 1686 C CE1 A TYR A 1 161 ? 29.617 -43.050 -55.801 0.40 42.73 ? 161 TYR A CE1 1 +ATOM 1687 C CE1 B TYR A 1 161 ? 29.611 -43.075 -55.737 0.60 42.80 ? 161 TYR A CE1 1 +ATOM 1688 C CE2 A TYR A 1 161 ? 29.598 -40.726 -55.269 0.40 40.05 ? 161 TYR A CE2 1 +ATOM 1689 C CE2 B TYR A 1 161 ? 29.592 -40.738 -55.194 0.60 39.92 ? 161 TYR A CE2 1 +ATOM 1690 C CZ A TYR A 1 161 ? 29.120 -41.780 -56.012 0.40 43.44 ? 161 TYR A CZ 1 +ATOM 1691 C CZ B TYR A 1 161 ? 29.108 -41.806 -55.932 0.60 43.48 ? 161 TYR A CZ 1 +ATOM 1692 O OH A TYR A 1 161 ? 28.168 -41.559 -56.996 0.40 45.11 ? 161 TYR A OH 1 +ATOM 1693 O OH B TYR A 1 161 ? 28.130 -41.615 -56.882 0.60 45.60 ? 161 TYR A OH 1 +ATOM 1694 N N A PRO A 1 162 ? 34.716 -40.703 -53.912 0.40 51.11 ? 162 PRO A N 1 +ATOM 1695 N N B PRO A 1 162 ? 34.750 -40.745 -53.928 0.60 51.38 ? 162 PRO A N 1 +ATOM 1696 C CA A PRO A 1 162 ? 35.426 -39.705 -54.727 0.40 43.50 ? 162 PRO A CA 1 +ATOM 1697 C CA B PRO A 1 162 ? 35.440 -39.748 -54.762 0.60 43.34 ? 162 PRO A CA 1 +ATOM 1698 C C A PRO A 1 162 ? 36.421 -40.302 -55.720 0.40 49.19 ? 162 PRO A C 1 +ATOM 1699 C C B PRO A 1 162 ? 36.416 -40.352 -55.765 0.60 49.34 ? 162 PRO A C 1 +ATOM 1700 O O A PRO A 1 162 ? 36.521 -39.801 -56.850 0.40 47.54 ? 162 PRO A O 1 +ATOM 1701 O O B PRO A 1 162 ? 36.471 -39.897 -56.919 0.60 47.55 ? 162 PRO A O 1 +ATOM 1702 C CB A PRO A 1 162 ? 36.132 -38.832 -53.660 0.40 42.35 ? 162 PRO A CB 1 +ATOM 1703 C CB B PRO A 1 162 ? 36.155 -38.873 -53.713 0.60 42.43 ? 162 PRO A CB 1 +ATOM 1704 C CG A PRO A 1 162 ? 35.242 -38.886 -52.494 0.40 38.36 ? 162 PRO A CG 1 +ATOM 1705 C CG B PRO A 1 162 ? 35.254 -38.914 -52.536 0.60 38.17 ? 162 PRO A CG 1 +ATOM 1706 C CD A PRO A 1 162 ? 34.733 -40.335 -52.475 0.40 40.17 ? 162 PRO A CD 1 +ATOM 1707 C CD B PRO A 1 162 ? 34.724 -40.336 -52.502 0.60 40.05 ? 162 PRO A CD 1 +ATOM 1708 N N A ILE A 1 163 ? 37.173 -41.342 -55.338 0.40 47.80 ? 163 ILE A N 1 +ATOM 1709 N N B ILE A 1 163 ? 37.191 -41.365 -55.364 0.60 47.93 ? 163 ILE A N 1 +ATOM 1710 C CA A ILE A 1 163 ? 38.182 -41.887 -56.253 0.40 47.94 ? 163 ILE A CA 1 +ATOM 1711 C CA B ILE A 1 163 ? 38.194 -41.929 -56.269 0.60 47.96 ? 163 ILE A CA 1 +ATOM 1712 C C A ILE A 1 163 ? 37.518 -42.479 -57.489 0.40 50.29 ? 163 ILE A C 1 +ATOM 1713 C C B ILE A 1 163 ? 37.525 -42.513 -57.507 0.60 50.41 ? 163 ILE A C 1 +ATOM 1714 O O A ILE A 1 163 ? 37.925 -42.211 -58.627 0.40 50.14 ? 163 ILE A O 1 +ATOM 1715 O O B ILE A 1 163 ? 37.935 -42.248 -58.643 0.60 50.27 ? 163 ILE A O 1 +ATOM 1716 C CB A ILE A 1 163 ? 39.049 -42.944 -55.545 0.40 49.65 ? 163 ILE A CB 1 +ATOM 1717 C CB B ILE A 1 163 ? 39.044 -42.986 -55.543 0.60 49.67 ? 163 ILE A CB 1 +ATOM 1718 C CG1 A ILE A 1 163 ? 39.952 -42.316 -54.482 0.40 47.99 ? 163 ILE A CG1 1 +ATOM 1719 C CG1 B ILE A 1 163 ? 39.916 -42.334 -54.466 0.60 47.95 ? 163 ILE A CG1 1 +ATOM 1720 C CG2 A ILE A 1 163 ? 39.906 -43.694 -56.583 0.40 49.66 ? 163 ILE A CG2 1 +ATOM 1721 C CG2 B ILE A 1 163 ? 39.904 -43.744 -56.544 0.60 49.67 ? 163 ILE A CG2 1 +ATOM 1722 C CD1 A ILE A 1 163 ? 40.749 -43.397 -53.658 0.40 50.80 ? 163 ILE A CD1 1 +ATOM 1723 C CD1 B ILE A 1 163 ? 40.751 -43.347 -53.669 0.60 50.81 ? 163 ILE A CD1 1 +ATOM 1724 N N A GLY A 1 164 ? 36.506 -43.327 -57.280 0.40 48.49 ? 164 GLY A N 1 +ATOM 1725 N N B GLY A 1 164 ? 36.484 -43.324 -57.305 0.60 48.56 ? 164 GLY A N 1 +ATOM 1726 C CA A GLY A 1 164 ? 35.836 -43.959 -58.409 0.40 45.50 ? 164 GLY A CA 1 +ATOM 1727 C CA B GLY A 1 164 ? 35.835 -43.965 -58.440 0.60 45.37 ? 164 GLY A CA 1 +ATOM 1728 C C A GLY A 1 164 ? 35.164 -42.955 -59.324 0.40 47.73 ? 164 GLY A C 1 +ATOM 1729 C C B GLY A 1 164 ? 35.107 -42.973 -59.325 0.60 47.72 ? 164 GLY A C 1 +ATOM 1730 O O A GLY A 1 164 ? 35.195 -43.099 -60.547 0.40 47.97 ? 164 GLY A O 1 +ATOM 1731 O O B GLY A 1 164 ? 35.073 -43.127 -60.546 0.60 48.01 ? 164 GLY A O 1 +ATOM 1732 N N A GLN A 1 165 ? 34.575 -41.906 -58.750 0.40 48.13 ? 165 GLN A N 1 +ATOM 1733 N N B GLN A 1 165 ? 34.531 -41.934 -58.729 0.60 48.17 ? 165 GLN A N 1 +ATOM 1734 C CA A GLN A 1 165 ? 33.892 -40.896 -59.551 0.40 44.81 ? 165 GLN A CA 1 +ATOM 1735 C CA B GLN A 1 165 ? 33.845 -40.913 -59.508 0.60 44.77 ? 165 GLN A CA 1 +ATOM 1736 C C A GLN A 1 165 ? 34.821 -39.771 -59.997 0.40 45.81 ? 165 GLN A C 1 +ATOM 1737 C C B GLN A 1 165 ? 34.777 -39.798 -59.962 0.60 45.82 ? 165 GLN A C 1 +ATOM 1738 O O A GLN A 1 165 ? 34.406 -38.915 -60.780 0.40 43.36 ? 165 GLN A O 1 +ATOM 1739 O O B GLN A 1 165 ? 34.349 -38.922 -60.717 0.60 43.37 ? 165 GLN A O 1 +ATOM 1740 C CB A GLN A 1 165 ? 32.694 -40.320 -58.770 0.40 46.38 ? 165 GLN A CB 1 +ATOM 1741 C CB B GLN A 1 165 ? 32.675 -40.340 -58.690 0.60 46.43 ? 165 GLN A CB 1 +ATOM 1742 C CG A GLN A 1 165 ? 31.712 -41.403 -58.275 0.40 44.91 ? 165 GLN A CG 1 +ATOM 1743 C CG B GLN A 1 165 ? 31.713 -41.427 -58.202 0.60 44.84 ? 165 GLN A CG 1 +ATOM 1744 C CD A GLN A 1 165 ? 31.079 -42.201 -59.426 0.40 46.91 ? 165 GLN A CD 1 +ATOM 1745 C CD B GLN A 1 165 ? 31.064 -42.192 -59.364 0.60 46.95 ? 165 GLN A CD 1 +ATOM 1746 O OE1 A GLN A 1 165 ? 30.394 -41.636 -60.282 0.40 44.39 ? 165 GLN A OE1 1 +ATOM 1747 O OE1 B GLN A 1 165 ? 30.344 -41.611 -60.172 0.60 44.40 ? 165 GLN A OE1 1 +ATOM 1748 N NE2 A GLN A 1 165 ? 31.324 -43.511 -59.458 0.40 41.65 ? 165 GLN A NE2 1 +ATOM 1749 N NE2 B GLN A 1 165 ? 31.330 -43.494 -59.450 0.60 41.52 ? 165 GLN A NE2 1 +ATOM 1750 N N A GLY A 1 166 ? 36.058 -39.748 -59.517 0.40 46.23 ? 166 GLY A N 1 +ATOM 1751 N N B GLY A 1 166 ? 36.032 -39.804 -59.513 0.60 46.20 ? 166 GLY A N 1 +ATOM 1752 C CA A GLY A 1 166 ? 37.024 -38.794 -60.009 0.40 44.27 ? 166 GLY A CA 1 +ATOM 1753 C CA B GLY A 1 166 ? 37.025 -38.862 -59.989 0.60 44.14 ? 166 GLY A CA 1 +ATOM 1754 C C A GLY A 1 166 ? 37.015 -37.420 -59.373 0.40 50.22 ? 166 GLY A C 1 +ATOM 1755 C C B GLY A 1 166 ? 37.024 -37.485 -59.354 0.60 50.42 ? 166 GLY A C 1 +ATOM 1756 O O A GLY A 1 166 ? 37.645 -36.513 -59.916 0.40 49.26 ? 166 GLY A O 1 +ATOM 1757 O O B GLY A 1 166 ? 37.707 -36.594 -59.868 0.60 49.34 ? 166 GLY A O 1 +ATOM 1758 N N A SER A 1 167 ? 36.338 -37.222 -58.238 0.40 47.67 ? 167 SER A N 1 +ATOM 1759 N N B SER A 1 167 ? 36.298 -37.262 -58.255 0.60 47.69 ? 167 SER A N 1 +ATOM 1760 C CA A SER A 1 167 ? 36.299 -35.885 -57.655 0.40 46.20 ? 167 SER A CA 1 +ATOM 1761 C CA B SER A 1 167 ? 36.283 -35.921 -57.678 0.60 46.21 ? 167 SER A CA 1 +ATOM 1762 C C A SER A 1 167 ? 35.902 -35.934 -56.184 0.40 48.50 ? 167 SER A C 1 +ATOM 1763 C C B SER A 1 167 ? 35.821 -35.940 -56.225 0.60 48.67 ? 167 SER A C 1 +ATOM 1764 O O A SER A 1 167 ? 34.925 -36.599 -55.818 0.40 47.45 ? 167 SER A O 1 +ATOM 1765 O O B SER A 1 167 ? 34.786 -36.534 -55.907 0.60 47.54 ? 167 SER A O 1 +ATOM 1766 C CB A SER A 1 167 ? 35.329 -34.980 -58.431 0.40 44.13 ? 167 SER A CB 1 +ATOM 1767 C CB B SER A 1 167 ? 35.383 -34.990 -58.501 0.60 44.04 ? 167 SER A CB 1 +ATOM 1768 O OG A SER A 1 167 ? 35.411 -33.638 -57.962 0.40 46.59 ? 167 SER A OG 1 +ATOM 1769 O OG B SER A 1 167 ? 35.403 -33.675 -57.970 0.60 46.64 ? 167 SER A OG 1 +ATOM 1770 N N A PHE A 1 168 ? 36.642 -35.202 -55.349 0.40 42.20 ? 168 PHE A N 1 +ATOM 1771 N N B PHE A 1 168 ? 36.571 -35.253 -55.355 0.60 42.04 ? 168 PHE A N 1 +ATOM 1772 C CA A PHE A 1 168 ? 36.203 -35.011 -53.973 0.40 47.40 ? 168 PHE A CA 1 +ATOM 1773 C CA B PHE A 1 168 ? 36.114 -35.041 -53.983 0.60 47.50 ? 168 PHE A CA 1 +ATOM 1774 C C A PHE A 1 168 ? 34.960 -34.148 -53.889 0.40 45.89 ? 168 PHE A C 1 +ATOM 1775 C C B PHE A 1 168 ? 34.860 -34.186 -53.916 0.60 46.06 ? 168 PHE A C 1 +ATOM 1776 O O A PHE A 1 168 ? 34.326 -34.106 -52.827 0.40 44.46 ? 168 PHE A O 1 +ATOM 1777 O O B PHE A 1 168 ? 34.247 -34.102 -52.844 0.60 44.50 ? 168 PHE A O 1 +ATOM 1778 C CB A PHE A 1 168 ? 37.327 -34.407 -53.124 0.40 43.16 ? 168 PHE A CB 1 +ATOM 1779 C CB B PHE A 1 168 ? 37.223 -34.404 -53.127 0.60 43.07 ? 168 PHE A CB 1 +ATOM 1780 C CG A PHE A 1 168 ? 38.460 -35.361 -52.883 0.40 46.55 ? 168 PHE A CG 1 +ATOM 1781 C CG B PHE A 1 168 ? 38.401 -35.313 -52.908 0.60 46.62 ? 168 PHE A CG 1 +ATOM 1782 C CD1 A PHE A 1 168 ? 38.288 -36.455 -52.055 0.40 44.34 ? 168 PHE A CD1 1 +ATOM 1783 C CD1 B PHE A 1 168 ? 38.290 -36.417 -52.074 0.60 44.30 ? 168 PHE A CD1 1 +ATOM 1784 C CD2 A PHE A 1 168 ? 39.689 -35.186 -53.519 0.40 44.86 ? 168 PHE A CD2 1 +ATOM 1785 C CD2 B PHE A 1 168 ? 39.608 -35.083 -53.555 0.60 44.67 ? 168 PHE A CD2 1 +ATOM 1786 C CE1 A PHE A 1 168 ? 39.315 -37.362 -51.851 0.40 52.34 ? 168 PHE A CE1 1 +ATOM 1787 C CE1 B PHE A 1 168 ? 39.367 -37.276 -51.883 0.60 52.68 ? 168 PHE A CE1 1 +ATOM 1788 C CE2 A PHE A 1 168 ? 40.732 -36.087 -53.311 0.40 46.27 ? 168 PHE A CE2 1 +ATOM 1789 C CE2 B PHE A 1 168 ? 40.695 -35.939 -53.365 0.60 46.54 ? 168 PHE A CE2 1 +ATOM 1790 C CZ A PHE A 1 168 ? 40.543 -37.177 -52.493 0.40 48.90 ? 168 PHE A CZ 1 +ATOM 1791 C CZ B PHE A 1 168 ? 40.574 -37.035 -52.540 0.60 48.94 ? 168 PHE A CZ 1 +ATOM 1792 N N A SER A 1 169 ? 34.576 -33.495 -54.989 0.40 46.10 ? 169 SER A N 1 +ATOM 1793 N N B SER A 1 169 ? 34.453 -33.564 -55.030 0.60 45.86 ? 169 SER A N 1 +ATOM 1794 C CA A SER A 1 169 ? 33.326 -32.754 -55.004 0.40 46.45 ? 169 SER A CA 1 +ATOM 1795 C CA B SER A 1 169 ? 33.216 -32.796 -55.025 0.60 46.43 ? 169 SER A CA 1 +ATOM 1796 C C A SER A 1 169 ? 32.126 -33.680 -54.895 0.40 49.95 ? 169 SER A C 1 +ATOM 1797 C C B SER A 1 169 ? 31.989 -33.691 -54.943 0.60 50.21 ? 169 SER A C 1 +ATOM 1798 O O A SER A 1 169 ? 31.037 -33.211 -54.558 0.40 46.09 ? 169 SER A O 1 +ATOM 1799 O O B SER A 1 169 ? 30.902 -33.191 -54.632 0.60 46.32 ? 169 SER A O 1 +ATOM 1800 C CB A SER A 1 169 ? 33.225 -31.893 -56.269 0.40 46.49 ? 169 SER A CB 1 +ATOM 1801 C CB B SER A 1 169 ? 33.135 -31.889 -56.258 0.60 46.48 ? 169 SER A CB 1 +ATOM 1802 O OG A SER A 1 169 ? 32.984 -32.681 -57.415 0.40 49.00 ? 169 SER A OG 1 +ATOM 1803 O OG B SER A 1 169 ? 32.895 -32.617 -57.446 0.60 49.17 ? 169 SER A OG 1 +ATOM 1804 N N A ASP A 1 170 ? 32.308 -34.982 -55.148 0.40 45.34 ? 170 ASP A N 1 +ATOM 1805 N N B ASP A 1 170 ? 32.137 -34.994 -55.192 0.60 45.68 ? 170 ASP A N 1 +ATOM 1806 C CA A ASP A 1 170 ? 31.242 -35.953 -54.960 0.40 45.44 ? 170 ASP A CA 1 +ATOM 1807 C CA B ASP A 1 170 ? 31.064 -35.950 -54.959 0.60 45.69 ? 170 ASP A CA 1 +ATOM 1808 C C A ASP A 1 170 ? 31.390 -36.726 -53.668 0.40 46.10 ? 170 ASP A C 1 +ATOM 1809 C C B ASP A 1 170 ? 31.261 -36.749 -53.685 0.60 46.16 ? 170 ASP A C 1 +ATOM 1810 O O A ASP A 1 170 ? 30.677 -37.714 -53.469 0.40 49.43 ? 170 ASP A O 1 +ATOM 1811 O O B ASP A 1 170 ? 30.517 -37.707 -53.446 0.60 49.66 ? 170 ASP A O 1 +ATOM 1812 C CB A ASP A 1 170 ? 31.152 -36.913 -56.160 0.40 43.01 ? 170 ASP A CB 1 +ATOM 1813 C CB B ASP A 1 170 ? 30.890 -36.882 -56.166 0.60 43.23 ? 170 ASP A CB 1 +ATOM 1814 C CG A ASP A 1 170 ? 30.232 -36.381 -57.239 0.40 44.18 ? 170 ASP A CG 1 +ATOM 1815 C CG B ASP A 1 170 ? 30.030 -36.247 -57.243 0.60 44.57 ? 170 ASP A CG 1 +ATOM 1816 O OD1 A ASP A 1 170 ? 30.276 -36.856 -58.393 0.40 47.54 ? 170 ASP A OD1 1 +ATOM 1817 O OD1 B ASP A 1 170 ? 30.089 -36.673 -58.413 0.60 47.09 ? 170 ASP A OD1 1 +ATOM 1818 O OD2 A ASP A 1 170 ? 29.461 -35.450 -56.925 0.40 43.77 ? 170 ASP A OD2 1 +ATOM 1819 O OD2 B ASP A 1 170 ? 29.297 -35.294 -56.894 0.60 42.76 ? 170 ASP A OD2 1 +ATOM 1820 N N A GLY A 1 171 ? 32.300 -36.303 -52.790 0.40 47.19 ? 171 GLY A N 1 +ATOM 1821 N N B GLY A 1 171 ? 32.235 -36.374 -52.855 0.60 47.42 ? 171 GLY A N 1 +ATOM 1822 C CA A GLY A 1 171 ? 32.354 -36.863 -51.458 0.40 44.21 ? 171 GLY A CA 1 +ATOM 1823 C CA B GLY A 1 171 ? 32.295 -36.908 -51.513 0.60 44.17 ? 171 GLY A CA 1 +ATOM 1824 C C A GLY A 1 171 ? 31.220 -36.346 -50.600 0.40 48.71 ? 171 GLY A C 1 +ATOM 1825 C C B GLY A 1 171 ? 31.152 -36.391 -50.662 0.60 48.82 ? 171 GLY A C 1 +ATOM 1826 O O A GLY A 1 171 ? 30.591 -35.329 -50.898 0.40 44.69 ? 171 GLY A O 1 +ATOM 1827 O O B GLY A 1 171 ? 30.475 -35.422 -51.002 0.60 44.22 ? 171 GLY A O 1 +ATOM 1828 N N A MET A 1 172 ? 30.937 -37.057 -49.509 0.40 41.57 ? 172 MET A N 1 +ATOM 1829 N N B MET A 1 172 ? 30.920 -37.057 -49.541 0.60 41.50 ? 172 MET A N 1 +ATOM 1830 C CA A MET A 1 172 ? 29.839 -36.627 -48.664 0.40 46.46 ? 172 MET A CA 1 +ATOM 1831 C CA B MET A 1 172 ? 29.805 -36.662 -48.693 0.60 46.55 ? 172 MET A CA 1 +ATOM 1832 C C A MET A 1 172 ? 30.163 -35.285 -48.001 0.40 45.52 ? 172 MET A C 1 +ATOM 1833 C C B MET A 1 172 ? 30.122 -35.336 -47.999 0.60 45.63 ? 172 MET A C 1 +ATOM 1834 O O A MET A 1 172 ? 31.245 -35.123 -47.418 0.40 44.11 ? 172 MET A O 1 +ATOM 1835 O O B MET A 1 172 ? 31.206 -35.184 -47.426 0.60 44.13 ? 172 MET A O 1 +ATOM 1836 C CB A MET A 1 172 ? 29.518 -37.685 -47.611 0.40 44.16 ? 172 MET A CB 1 +ATOM 1837 C CB B MET A 1 172 ? 29.496 -37.752 -47.661 0.60 44.15 ? 172 MET A CB 1 +ATOM 1838 C CG A MET A 1 172 ? 28.197 -37.428 -46.929 0.40 40.99 ? 172 MET A CG 1 +ATOM 1839 C CG B MET A 1 172 ? 28.253 -37.462 -46.838 0.60 41.05 ? 172 MET A CG 1 +ATOM 1840 S SD A MET A 1 172 ? 27.814 -38.647 -45.671 0.40 47.39 ? 172 MET A SD 1 +ATOM 1841 S SD B MET A 1 172 ? 27.912 -38.716 -45.587 0.60 48.12 ? 172 MET A SD 1 +ATOM 1842 C CE A MET A 1 172 ? 28.607 -37.976 -44.204 0.40 40.26 ? 172 MET A CE 1 +ATOM 1843 C CE B MET A 1 172 ? 28.591 -37.983 -44.099 0.60 40.12 ? 172 MET A CE 1 +ATOM 1844 N N A PRO A 1 173 ? 29.259 -34.310 -48.050 0.40 45.79 ? 173 PRO A N 1 +ATOM 1845 N N B PRO A 1 173 ? 29.218 -34.361 -48.031 0.60 45.87 ? 173 PRO A N 1 +ATOM 1846 C CA A PRO A 1 173 ? 29.509 -33.042 -47.354 0.40 42.92 ? 173 PRO A CA 1 +ATOM 1847 C CA B PRO A 1 173 ? 29.472 -33.098 -47.325 0.60 42.83 ? 173 PRO A CA 1 +ATOM 1848 C C A PRO A 1 173 ? 29.521 -33.244 -45.853 0.40 43.30 ? 173 PRO A C 1 +ATOM 1849 C C B PRO A 1 173 ? 29.524 -33.307 -45.822 0.60 43.29 ? 173 PRO A C 1 +ATOM 1850 O O A PRO A 1 173 ? 28.931 -34.187 -45.323 0.40 46.92 ? 173 PRO A O 1 +ATOM 1851 O O B PRO A 1 173 ? 28.977 -34.270 -45.280 0.60 47.28 ? 173 PRO A O 1 +ATOM 1852 C CB A PRO A 1 173 ? 28.330 -32.144 -47.773 0.40 43.37 ? 173 PRO A CB 1 +ATOM 1853 C CB B PRO A 1 173 ? 28.281 -32.210 -47.721 0.60 43.46 ? 173 PRO A CB 1 +ATOM 1854 C CG A PRO A 1 173 ? 27.786 -32.794 -49.066 0.40 43.64 ? 173 PRO A CG 1 +ATOM 1855 C CG B PRO A 1 173 ? 27.780 -32.816 -49.043 0.60 43.75 ? 173 PRO A CG 1 +ATOM 1856 C CD A PRO A 1 173 ? 28.018 -34.290 -48.844 0.40 42.43 ? 173 PRO A CD 1 +ATOM 1857 C CD B PRO A 1 173 ? 27.992 -34.312 -48.848 0.60 42.34 ? 173 PRO A CD 1 +ATOM 1858 N N A LEU A 1 174 ? 30.187 -32.315 -45.150 0.40 44.81 ? 174 LEU A N 1 +ATOM 1859 N N B LEU A 1 174 ? 30.199 -32.375 -45.139 0.60 45.05 ? 174 LEU A N 1 +ATOM 1860 C CA A LEU A 1 174 ? 30.303 -32.423 -43.694 0.40 42.74 ? 174 LEU A CA 1 +ATOM 1861 C CA B LEU A 1 174 ? 30.329 -32.448 -43.682 0.60 42.75 ? 174 LEU A CA 1 +ATOM 1862 C C A LEU A 1 174 ? 29.191 -31.586 -43.079 0.40 42.88 ? 174 LEU A C 1 +ATOM 1863 C C B LEU A 1 174 ? 29.233 -31.594 -43.049 0.60 42.86 ? 174 LEU A C 1 +ATOM 1864 O O A LEU A 1 174 ? 29.412 -30.501 -42.542 0.40 44.41 ? 174 LEU A O 1 +ATOM 1865 O O B LEU A 1 174 ? 29.464 -30.506 -42.516 0.60 44.51 ? 174 LEU A O 1 +ATOM 1866 C CB A LEU A 1 174 ? 31.686 -32.000 -43.206 0.40 40.53 ? 174 LEU A CB 1 +ATOM 1867 C CB B LEU A 1 174 ? 31.719 -32.010 -43.242 0.60 40.55 ? 174 LEU A CB 1 +ATOM 1868 C CG A LEU A 1 174 ? 32.858 -32.677 -43.935 0.40 46.77 ? 174 LEU A CG 1 +ATOM 1869 C CG B LEU A 1 174 ? 32.918 -32.736 -43.868 0.60 47.08 ? 174 LEU A CG 1 +ATOM 1870 C CD1 A LEU A 1 174 ? 34.140 -32.290 -43.227 0.40 44.01 ? 174 LEU A CD1 1 +ATOM 1871 C CD1 B LEU A 1 174 ? 34.175 -32.318 -43.145 0.60 44.01 ? 174 LEU A CD1 1 +ATOM 1872 C CD2 A LEU A 1 174 ? 32.674 -34.220 -43.993 0.40 42.01 ? 174 LEU A CD2 1 +ATOM 1873 C CD2 B LEU A 1 174 ? 32.760 -34.276 -43.849 0.60 41.75 ? 174 LEU A CD2 1 +ATOM 1874 N N A GLY A 1 175 ? 27.978 -32.125 -43.145 0.40 41.45 ? 175 GLY A N 1 +ATOM 1875 N N B GLY A 1 175 ? 28.009 -32.110 -43.135 0.60 41.44 ? 175 GLY A N 1 +ATOM 1876 C CA A GLY A 1 175 ? 26.813 -31.415 -42.641 0.40 42.06 ? 175 GLY A CA 1 +ATOM 1877 C CA B GLY A 1 175 ? 26.842 -31.401 -42.624 0.60 42.01 ? 175 GLY A CA 1 +ATOM 1878 C C A GLY A 1 175 ? 25.578 -32.290 -42.732 0.40 45.60 ? 175 GLY A C 1 +ATOM 1879 C C B GLY A 1 175 ? 25.606 -32.269 -42.707 0.60 45.81 ? 175 GLY A C 1 +ATOM 1880 O O A GLY A 1 175 ? 25.558 -33.324 -43.414 0.40 40.27 ? 175 GLY A O 1 +ATOM 1881 O O B GLY A 1 175 ? 25.581 -33.294 -43.394 0.60 40.21 ? 175 GLY A O 1 +ATOM 1882 N N A ILE A 1 176 ? 24.528 -31.833 -42.049 0.40 43.19 ? 176 ILE A N 1 +ATOM 1883 N N B ILE A 1 176 ? 24.565 -31.819 -42.006 0.60 43.19 ? 176 ILE A N 1 +ATOM 1884 C CA A ILE A 1 176 ? 23.316 -32.632 -41.907 0.40 40.94 ? 176 ILE A CA 1 +ATOM 1885 C CA B ILE A 1 176 ? 23.345 -32.611 -41.872 0.60 40.91 ? 176 ILE A CA 1 +ATOM 1886 C C A ILE A 1 176 ? 22.512 -32.644 -43.215 0.40 42.75 ? 176 ILE A C 1 +ATOM 1887 C C B ILE A 1 176 ? 22.559 -32.638 -43.189 0.60 42.86 ? 176 ILE A C 1 +ATOM 1888 O O A ILE A 1 176 ? 22.225 -33.710 -43.764 0.40 45.18 ? 176 ILE A O 1 +ATOM 1889 O O B ILE A 1 176 ? 22.284 -33.707 -43.747 0.60 45.30 ? 176 ILE A O 1 +ATOM 1890 C CB A ILE A 1 176 ? 22.495 -32.126 -40.705 0.40 44.61 ? 176 ILE A CB 1 +ATOM 1891 C CB B ILE A 1 176 ? 22.509 -32.082 -40.691 0.60 44.58 ? 176 ILE A CB 1 +ATOM 1892 C CG1 A ILE A 1 176 ? 23.163 -32.619 -39.410 0.40 38.63 ? 176 ILE A CG1 1 +ATOM 1893 C CG1 B ILE A 1 176 ? 23.226 -32.456 -39.380 0.60 38.72 ? 176 ILE A CG1 1 +ATOM 1894 C CG2 A ILE A 1 176 ? 21.021 -32.573 -40.798 0.40 39.88 ? 176 ILE A CG2 1 +ATOM 1895 C CG2 B ILE A 1 176 ? 21.073 -32.622 -40.744 0.60 39.92 ? 176 ILE A CG2 1 +ATOM 1896 C CD1 A ILE A 1 176 ? 22.861 -31.782 -38.169 0.40 40.58 ? 176 ILE A CD1 1 +ATOM 1897 C CD1 B ILE A 1 176 ? 22.735 -31.722 -38.130 0.60 40.46 ? 176 ILE A CD1 1 +ATOM 1898 N N A SER A 1 177 ? 22.149 -31.460 -43.740 0.40 40.01 ? 177 SER A N 1 +ATOM 1899 N N B SER A 1 177 ? 22.205 -31.464 -43.719 0.60 39.96 ? 177 SER A N 1 +ATOM 1900 C CA A SER A 1 177 ? 21.428 -31.426 -45.013 0.40 40.79 ? 177 SER A CA 1 +ATOM 1901 C CA B SER A 1 177 ? 21.493 -31.440 -44.994 0.60 40.84 ? 177 SER A CA 1 +ATOM 1902 C C A SER A 1 177 ? 22.329 -31.837 -46.169 0.40 41.59 ? 177 SER A C 1 +ATOM 1903 C C B SER A 1 177 ? 22.398 -31.843 -46.147 0.60 41.60 ? 177 SER A C 1 +ATOM 1904 O O A SER A 1 177 ? 21.838 -32.370 -47.162 0.40 43.94 ? 177 SER A O 1 +ATOM 1905 O O B SER A 1 177 ? 21.910 -32.366 -47.153 0.60 43.98 ? 177 SER A O 1 +ATOM 1906 C CB A SER A 1 177 ? 20.841 -30.034 -45.278 0.40 37.05 ? 177 SER A CB 1 +ATOM 1907 C CB B SER A 1 177 ? 20.898 -30.052 -45.262 0.60 37.04 ? 177 SER A CB 1 +ATOM 1908 O OG A SER A 1 177 ? 19.735 -29.796 -44.421 0.40 42.40 ? 177 SER A OG 1 +ATOM 1909 O OG B SER A 1 177 ? 19.821 -29.816 -44.382 0.60 42.39 ? 177 SER A OG 1 +ATOM 1910 N N A GLY A 1 178 ? 23.637 -31.589 -46.057 0.40 39.12 ? 178 GLY A N 1 +ATOM 1911 N N B GLY A 1 178 ? 23.706 -31.595 -46.027 0.60 38.95 ? 178 GLY A N 1 +ATOM 1912 C CA A GLY A 1 178 ? 24.565 -32.068 -47.068 0.40 37.84 ? 178 GLY A CA 1 +ATOM 1913 C CA B GLY A 1 178 ? 24.636 -32.081 -47.030 0.60 37.71 ? 178 GLY A CA 1 +ATOM 1914 C C A GLY A 1 178 ? 24.583 -33.581 -47.163 0.40 42.78 ? 178 GLY A C 1 +ATOM 1915 C C B GLY A 1 178 ? 24.629 -33.594 -47.143 0.60 42.84 ? 178 GLY A C 1 +ATOM 1916 O O A GLY A 1 178 ? 24.757 -34.138 -48.250 0.40 45.82 ? 178 GLY A O 1 +ATOM 1917 O O B GLY A 1 178 ? 24.734 -34.141 -48.244 0.60 45.97 ? 178 GLY A O 1 +ATOM 1918 N N A THR A 1 179 ? 24.434 -34.266 -46.017 0.40 42.81 ? 179 THR A N 1 +ATOM 1919 N N B THR A 1 179 ? 24.515 -34.287 -46.001 0.60 42.78 ? 179 THR A N 1 +ATOM 1920 C CA A THR A 1 179 ? 24.314 -35.725 -46.023 0.40 43.25 ? 179 THR A CA 1 +ATOM 1921 C CA B THR A 1 179 ? 24.386 -35.743 -45.997 0.60 43.26 ? 179 THR A CA 1 +ATOM 1922 C C A THR A 1 179 ? 23.097 -36.174 -46.825 0.40 36.66 ? 179 THR A C 1 +ATOM 1923 C C B THR A 1 179 ? 23.158 -36.203 -46.774 0.60 36.42 ? 179 THR A C 1 +ATOM 1924 O O A THR A 1 179 ? 23.181 -37.110 -47.619 0.40 42.83 ? 179 THR A O 1 +ATOM 1925 O O B THR A 1 179 ? 23.233 -37.159 -47.552 0.60 42.77 ? 179 THR A O 1 +ATOM 1926 C CB A THR A 1 179 ? 24.218 -36.270 -44.588 0.40 48.65 ? 179 THR A CB 1 +ATOM 1927 C CB B THR A 1 179 ? 24.311 -36.260 -44.554 0.60 48.86 ? 179 THR A CB 1 +ATOM 1928 O OG1 A THR A 1 179 ? 25.444 -36.020 -43.888 0.40 44.66 ? 179 THR A OG1 1 +ATOM 1929 O OG1 B THR A 1 179 ? 25.558 -36.026 -43.890 0.60 44.78 ? 179 THR A OG1 1 +ATOM 1930 C CG2 A THR A 1 179 ? 23.933 -37.793 -44.608 0.40 40.25 ? 179 THR A CG2 1 +ATOM 1931 C CG2 B THR A 1 179 ? 23.995 -37.776 -44.532 0.60 40.25 ? 179 THR A CG2 1 +ATOM 1932 N N A PHE A 1 180 ? 21.947 -35.532 -46.599 0.40 44.60 ? 180 PHE A N 1 +ATOM 1933 N N B PHE A 1 180 ? 22.016 -35.541 -46.566 0.60 44.69 ? 180 PHE A N 1 +ATOM 1934 C CA A PHE A 1 180 ? 20.731 -35.893 -47.327 0.40 41.89 ? 180 PHE A CA 1 +ATOM 1935 C CA B PHE A 1 180 ? 20.799 -35.898 -47.295 0.60 41.95 ? 180 PHE A CA 1 +ATOM 1936 C C A PHE A 1 180 ? 20.912 -35.692 -48.827 0.40 48.42 ? 180 PHE A C 1 +ATOM 1937 C C B PHE A 1 180 ? 20.978 -35.686 -48.796 0.60 48.63 ? 180 PHE A C 1 +ATOM 1938 O O A PHE A 1 180 ? 20.452 -36.507 -49.634 0.40 46.82 ? 180 PHE A O 1 +ATOM 1939 O O B PHE A 1 180 ? 20.563 -36.526 -49.607 0.60 46.95 ? 180 PHE A O 1 +ATOM 1940 C CB A PHE A 1 180 ? 19.555 -35.055 -46.802 0.40 42.58 ? 180 PHE A CB 1 +ATOM 1941 C CB B PHE A 1 180 ? 19.624 -35.066 -46.777 0.60 42.67 ? 180 PHE A CB 1 +ATOM 1942 C CG A PHE A 1 180 ? 19.351 -35.171 -45.304 0.40 43.19 ? 180 PHE A CG 1 +ATOM 1943 C CG B PHE A 1 180 ? 19.384 -35.199 -45.291 0.60 43.25 ? 180 PHE A CG 1 +ATOM 1944 C CD1 A PHE A 1 180 ? 19.712 -36.342 -44.634 0.40 46.07 ? 180 PHE A CD1 1 +ATOM 1945 C CD1 B PHE A 1 180 ? 19.738 -36.359 -44.615 0.60 46.21 ? 180 PHE A CD1 1 +ATOM 1946 C CD2 A PHE A 1 180 ? 18.812 -34.120 -44.574 0.40 38.60 ? 180 PHE A CD2 1 +ATOM 1947 C CD2 B PHE A 1 180 ? 18.806 -34.161 -44.575 0.60 38.49 ? 180 PHE A CD2 1 +ATOM 1948 C CE1 A PHE A 1 180 ? 19.545 -36.477 -43.246 0.40 41.76 ? 180 PHE A CE1 1 +ATOM 1949 C CE1 B PHE A 1 180 ? 19.519 -36.488 -43.241 0.60 41.75 ? 180 PHE A CE1 1 +ATOM 1950 C CE2 A PHE A 1 180 ? 18.622 -34.240 -43.197 0.40 43.42 ? 180 PHE A CE2 1 +ATOM 1951 C CE2 B PHE A 1 180 ? 18.574 -34.283 -43.197 0.60 43.45 ? 180 PHE A CE2 1 +ATOM 1952 C CZ A PHE A 1 180 ? 18.987 -35.441 -42.528 0.40 40.74 ? 180 PHE A CZ 1 +ATOM 1953 C CZ B PHE A 1 180 ? 18.927 -35.458 -42.535 0.60 40.67 ? 180 PHE A CZ 1 +ATOM 1954 N N A ASN A 1 181 ? 21.583 -34.604 -49.212 0.40 43.37 ? 181 ASN A N 1 +ATOM 1955 N N B ASN A 1 181 ? 21.585 -34.559 -49.182 0.60 43.41 ? 181 ASN A N 1 +ATOM 1956 C CA A ASN A 1 181 ? 21.868 -34.338 -50.615 0.40 45.51 ? 181 ASN A CA 1 +ATOM 1957 C CA B ASN A 1 181 ? 21.880 -34.312 -50.586 0.60 45.60 ? 181 ASN A CA 1 +ATOM 1958 C C A ASN A 1 181 ? 22.683 -35.463 -51.227 0.40 44.70 ? 181 ASN A C 1 +ATOM 1959 C C B ASN A 1 181 ? 22.693 -35.455 -51.179 0.60 44.73 ? 181 ASN A C 1 +ATOM 1960 O O A ASN A 1 181 ? 22.373 -35.961 -52.321 0.40 46.00 ? 181 ASN A O 1 +ATOM 1961 O O B ASN A 1 181 ? 22.379 -35.967 -52.259 0.60 46.11 ? 181 ASN A O 1 +ATOM 1962 C CB A ASN A 1 181 ? 22.614 -32.996 -50.738 0.40 43.28 ? 181 ASN A CB 1 +ATOM 1963 C CB B ASN A 1 181 ? 22.624 -32.978 -50.731 0.60 43.24 ? 181 ASN A CB 1 +ATOM 1964 C CG A ASN A 1 181 ? 22.856 -32.601 -52.196 0.40 47.29 ? 181 ASN A CG 1 +ATOM 1965 C CG B ASN A 1 181 ? 22.886 -32.622 -52.177 0.60 47.44 ? 181 ASN A CG 1 +ATOM 1966 O OD1 A ASN A 1 181 ? 23.911 -32.881 -52.765 0.40 42.61 ? 181 ASN A OD1 1 +ATOM 1967 O OD1 B ASN A 1 181 ? 23.965 -32.885 -52.712 0.60 42.61 ? 181 ASN A OD1 1 +ATOM 1968 N ND2 A ASN A 1 181 ? 21.851 -32.002 -52.817 0.40 42.99 ? 181 ASN A ND2 1 +ATOM 1969 N ND2 B ASN A 1 181 ? 21.882 -32.051 -52.834 0.60 43.04 ? 181 ASN A ND2 1 +ATOM 1970 N N A PHE A 1 182 ? 23.743 -35.872 -50.533 0.40 42.90 ? 182 PHE A N 1 +ATOM 1971 N N B PHE A 1 182 ? 23.741 -35.872 -50.470 0.60 42.83 ? 182 PHE A N 1 +ATOM 1972 C CA A PHE A 1 182 ? 24.558 -36.993 -50.992 0.40 41.56 ? 182 PHE A CA 1 +ATOM 1973 C CA B PHE A 1 182 ? 24.552 -37.010 -50.901 0.60 41.77 ? 182 PHE A CA 1 +ATOM 1974 C C A PHE A 1 182 ? 23.716 -38.255 -51.169 0.40 44.88 ? 182 PHE A C 1 +ATOM 1975 C C B PHE A 1 182 ? 23.706 -38.263 -51.104 0.60 44.99 ? 182 PHE A C 1 +ATOM 1976 O O A PHE A 1 182 ? 23.883 -38.988 -52.153 0.40 45.80 ? 182 PHE A O 1 +ATOM 1977 O O B PHE A 1 182 ? 23.898 -38.996 -52.080 0.60 45.89 ? 182 PHE A O 1 +ATOM 1978 C CB A PHE A 1 182 ? 25.677 -37.211 -49.978 0.40 45.79 ? 182 PHE A CB 1 +ATOM 1979 C CB B PHE A 1 182 ? 25.629 -37.267 -49.849 0.60 45.55 ? 182 PHE A CB 1 +ATOM 1980 C CG A PHE A 1 182 ? 26.561 -38.380 -50.259 0.40 42.89 ? 182 PHE A CG 1 +ATOM 1981 C CG B PHE A 1 182 ? 26.551 -38.404 -50.164 0.60 42.81 ? 182 PHE A CG 1 +ATOM 1982 C CD1 A PHE A 1 182 ? 27.625 -38.259 -51.133 0.40 43.96 ? 182 PHE A CD1 1 +ATOM 1983 C CD1 B PHE A 1 182 ? 27.594 -38.234 -51.056 0.60 44.04 ? 182 PHE A CD1 1 +ATOM 1984 C CD2 A PHE A 1 182 ? 26.358 -39.590 -49.601 0.40 42.11 ? 182 PHE A CD2 1 +ATOM 1985 C CD2 B PHE A 1 182 ? 26.406 -39.628 -49.525 0.60 42.21 ? 182 PHE A CD2 1 +ATOM 1986 C CE1 A PHE A 1 182 ? 28.459 -39.338 -51.356 0.40 46.03 ? 182 PHE A CE1 1 +ATOM 1987 C CE1 B PHE A 1 182 ? 28.461 -39.276 -51.321 0.60 46.09 ? 182 PHE A CE1 1 +ATOM 1988 C CE2 A PHE A 1 182 ? 27.187 -40.664 -49.812 0.40 43.73 ? 182 PHE A CE2 1 +ATOM 1989 C CE2 B PHE A 1 182 ? 27.265 -40.669 -49.779 0.60 43.80 ? 182 PHE A CE2 1 +ATOM 1990 C CZ A PHE A 1 182 ? 28.247 -40.540 -50.692 0.40 45.44 ? 182 PHE A CZ 1 +ATOM 1991 C CZ B PHE A 1 182 ? 28.299 -40.497 -50.674 0.60 45.42 ? 182 PHE A CZ 1 +ATOM 1992 N N A MET A 1 183 ? 22.797 -38.518 -50.228 0.40 40.73 ? 183 MET A N 1 +ATOM 1993 N N B MET A 1 183 ? 22.793 -38.549 -50.168 0.60 40.55 ? 183 MET A N 1 +ATOM 1994 C CA A MET A 1 183 ? 21.998 -39.744 -50.284 0.40 44.53 ? 183 MET A CA 1 +ATOM 1995 C CA B MET A 1 183 ? 21.996 -39.770 -50.268 0.60 44.65 ? 183 MET A CA 1 +ATOM 1996 C C A MET A 1 183 ? 21.025 -39.734 -51.457 0.40 40.60 ? 183 MET A C 1 +ATOM 1997 C C B MET A 1 183 ? 21.054 -39.728 -51.460 0.60 40.54 ? 183 MET A C 1 +ATOM 1998 O O A MET A 1 183 ? 20.831 -40.764 -52.116 0.40 43.40 ? 183 MET A O 1 +ATOM 1999 O O B MET A 1 183 ? 20.862 -40.743 -52.137 0.60 43.45 ? 183 MET A O 1 +ATOM 2000 C CB A MET A 1 183 ? 21.211 -39.926 -48.986 0.40 42.41 ? 183 MET A CB 1 +ATOM 2001 C CB B MET A 1 183 ? 21.189 -39.994 -48.985 0.60 42.41 ? 183 MET A CB 1 +ATOM 2002 C CG A MET A 1 183 ? 22.057 -40.148 -47.754 0.40 42.96 ? 183 MET A CG 1 +ATOM 2003 C CG B MET A 1 183 ? 22.028 -40.112 -47.747 0.60 43.04 ? 183 MET A CG 1 +ATOM 2004 S SD A MET A 1 183 ? 21.044 -40.178 -46.268 0.40 44.62 ? 183 MET A SD 1 +ATOM 2005 S SD B MET A 1 183 ? 21.051 -40.145 -46.248 0.60 44.63 ? 183 MET A SD 1 +ATOM 2006 C CE A MET A 1 183 ? 20.532 -41.891 -46.237 0.40 36.65 ? 183 MET A CE 1 +ATOM 2007 C CE B MET A 1 183 ? 20.522 -41.855 -46.221 0.60 36.60 ? 183 MET A CE 1 +ATOM 2008 N N A ILE A 1 184 ? 20.377 -38.588 -51.700 0.40 41.94 ? 184 ILE A N 1 +ATOM 2009 N N B ILE A 1 184 ? 20.440 -38.572 -51.713 0.60 41.86 ? 184 ILE A N 1 +ATOM 2010 C CA A ILE A 1 184 ? 19.377 -38.485 -52.763 0.40 44.03 ? 184 ILE A CA 1 +ATOM 2011 C CA B ILE A 1 184 ? 19.434 -38.472 -52.765 0.60 44.07 ? 184 ILE A CA 1 +ATOM 2012 C C A ILE A 1 184 ? 20.041 -38.632 -54.128 0.40 44.61 ? 184 ILE A C 1 +ATOM 2013 C C B ILE A 1 184 ? 20.082 -38.618 -54.136 0.60 44.70 ? 184 ILE A C 1 +ATOM 2014 O O A ILE A 1 184 ? 19.571 -39.381 -54.995 0.40 45.42 ? 184 ILE A O 1 +ATOM 2015 O O B ILE A 1 184 ? 19.591 -39.360 -54.996 0.60 45.50 ? 184 ILE A O 1 +ATOM 2016 C CB A ILE A 1 184 ? 18.607 -37.149 -52.634 0.40 42.72 ? 184 ILE A CB 1 +ATOM 2017 C CB B ILE A 1 184 ? 18.658 -37.146 -52.634 0.60 42.67 ? 184 ILE A CB 1 +ATOM 2018 C CG1 A ILE A 1 184 ? 17.799 -37.116 -51.322 0.40 41.54 ? 184 ILE A CG1 1 +ATOM 2019 C CG1 B ILE A 1 184 ? 17.838 -37.135 -51.339 0.60 41.53 ? 184 ILE A CG1 1 +ATOM 2020 C CG2 A ILE A 1 184 ? 17.695 -36.917 -53.840 0.40 42.96 ? 184 ILE A CG2 1 +ATOM 2021 C CG2 B ILE A 1 184 ? 17.755 -36.919 -53.838 0.60 42.99 ? 184 ILE A CG2 1 +ATOM 2022 C CD1 A ILE A 1 184 ? 17.351 -35.669 -50.894 0.40 44.97 ? 184 ILE A CD1 1 +ATOM 2023 C CD1 B ILE A 1 184 ? 17.361 -35.724 -50.944 0.60 45.14 ? 184 ILE A CD1 1 +ATOM 2024 N N A VAL A 1 185 ? 21.157 -37.928 -54.334 0.40 43.77 ? 185 VAL A N 1 +ATOM 2025 N N B VAL A 1 185 ? 21.203 -37.927 -54.352 0.60 43.90 ? 185 VAL A N 1 +ATOM 2026 C CA A VAL A 1 185 ? 21.884 -38.045 -55.596 0.40 41.59 ? 185 VAL A CA 1 +ATOM 2027 C CA B VAL A 1 185 ? 21.919 -38.031 -55.622 0.60 41.63 ? 185 VAL A CA 1 +ATOM 2028 C C A VAL A 1 185 ? 22.439 -39.454 -55.769 0.40 43.36 ? 185 VAL A C 1 +ATOM 2029 C C B VAL A 1 185 ? 22.482 -39.438 -55.801 0.60 43.38 ? 185 VAL A C 1 +ATOM 2030 O O A VAL A 1 185 ? 22.470 -39.988 -56.884 0.40 41.75 ? 185 VAL A O 1 +ATOM 2031 O O B VAL A 1 185 ? 22.532 -39.966 -56.920 0.60 41.63 ? 185 VAL A O 1 +ATOM 2032 C CB A VAL A 1 185 ? 22.996 -36.977 -55.674 0.40 43.92 ? 185 VAL A CB 1 +ATOM 2033 C CB B VAL A 1 185 ? 23.027 -36.957 -55.692 0.60 43.96 ? 185 VAL A CB 1 +ATOM 2034 C CG1 A VAL A 1 185 ? 23.819 -37.147 -56.953 0.40 39.59 ? 185 VAL A CG1 1 +ATOM 2035 C CG1 B VAL A 1 185 ? 23.910 -37.155 -56.911 0.60 39.45 ? 185 VAL A CG1 1 +ATOM 2036 C CG2 A VAL A 1 185 ? 22.392 -35.573 -55.616 0.40 39.84 ? 185 VAL A CG2 1 +ATOM 2037 C CG2 B VAL A 1 185 ? 22.413 -35.553 -55.688 0.60 39.78 ? 185 VAL A CG2 1 +ATOM 2038 N N A PHE A 1 186 ? 22.909 -40.077 -54.674 0.40 40.77 ? 186 PHE A N 1 +ATOM 2039 N N B PHE A 1 186 ? 22.915 -40.072 -54.699 0.60 40.75 ? 186 PHE A N 1 +ATOM 2040 C CA A PHE A 1 186 ? 23.382 -41.459 -54.770 0.40 40.52 ? 186 PHE A CA 1 +ATOM 2041 C CA B PHE A 1 186 ? 23.388 -41.453 -54.785 0.60 40.42 ? 186 PHE A CA 1 +ATOM 2042 C C A PHE A 1 186 ? 22.284 -42.385 -55.286 0.40 43.29 ? 186 PHE A C 1 +ATOM 2043 C C B PHE A 1 186 ? 22.287 -42.376 -55.297 0.60 43.32 ? 186 PHE A C 1 +ATOM 2044 O O A PHE A 1 186 ? 22.543 -43.271 -56.109 0.40 45.72 ? 186 PHE A O 1 +ATOM 2045 O O B PHE A 1 186 ? 22.525 -43.209 -56.181 0.60 45.91 ? 186 PHE A O 1 +ATOM 2046 C CB A PHE A 1 186 ? 23.876 -41.956 -53.407 0.40 42.09 ? 186 PHE A CB 1 +ATOM 2047 C CB B PHE A 1 186 ? 23.889 -41.928 -53.415 0.60 42.17 ? 186 PHE A CB 1 +ATOM 2048 C CG A PHE A 1 186 ? 25.009 -42.926 -53.499 0.40 41.86 ? 186 PHE A CG 1 +ATOM 2049 C CG B PHE A 1 186 ? 25.012 -42.926 -53.490 0.60 41.88 ? 186 PHE A CG 1 +ATOM 2050 C CD1 A PHE A 1 186 ? 24.775 -44.274 -53.781 0.40 40.91 ? 186 PHE A CD1 1 +ATOM 2051 C CD1 B PHE A 1 186 ? 24.756 -44.273 -53.750 0.60 40.87 ? 186 PHE A CD1 1 +ATOM 2052 C CD2 A PHE A 1 186 ? 26.318 -42.494 -53.296 0.40 43.18 ? 186 PHE A CD2 1 +ATOM 2053 C CD2 B PHE A 1 186 ? 26.326 -42.519 -53.299 0.60 43.28 ? 186 PHE A CD2 1 +ATOM 2054 C CE1 A PHE A 1 186 ? 25.844 -45.188 -53.873 0.40 39.78 ? 186 PHE A CE1 1 +ATOM 2055 C CE1 B PHE A 1 186 ? 25.813 -45.209 -53.828 0.60 39.71 ? 186 PHE A CE1 1 +ATOM 2056 C CE2 A PHE A 1 186 ? 27.397 -43.389 -53.394 0.40 43.03 ? 186 PHE A CE2 1 +ATOM 2057 C CE2 B PHE A 1 186 ? 27.380 -43.422 -53.380 0.60 43.17 ? 186 PHE A CE2 1 +ATOM 2058 C CZ A PHE A 1 186 ? 27.158 -44.742 -53.673 0.40 41.30 ? 186 PHE A CZ 1 +ATOM 2059 C CZ B PHE A 1 186 ? 27.126 -44.780 -53.639 0.60 41.25 ? 186 PHE A CZ 1 +ATOM 2060 N N A GLN A 1 187 ? 21.055 -42.206 -54.792 0.40 43.41 ? 187 GLN A N 1 +ATOM 2061 N N B GLN A 1 187 ? 21.074 -42.232 -54.755 0.60 43.51 ? 187 GLN A N 1 +ATOM 2062 C CA A GLN A 1 187 ? 19.936 -43.027 -55.242 0.40 41.39 ? 187 GLN A CA 1 +ATOM 2063 C CA B GLN A 1 187 ? 19.941 -43.027 -55.221 0.60 41.34 ? 187 GLN A CA 1 +ATOM 2064 C C A GLN A 1 187 ? 19.661 -42.809 -56.725 0.40 41.75 ? 187 GLN A C 1 +ATOM 2065 C C B GLN A 1 187 ? 19.671 -42.791 -56.702 0.60 41.70 ? 187 GLN A C 1 +ATOM 2066 O O A GLN A 1 187 ? 19.463 -43.769 -57.473 0.40 42.16 ? 187 GLN A O 1 +ATOM 2067 O O B GLN A 1 187 ? 19.391 -43.736 -57.446 0.60 42.05 ? 187 GLN A O 1 +ATOM 2068 C CB A GLN A 1 187 ? 18.697 -42.714 -54.391 0.40 42.18 ? 187 GLN A CB 1 +ATOM 2069 C CB B GLN A 1 187 ? 18.697 -42.702 -54.384 0.60 42.18 ? 187 GLN A CB 1 +ATOM 2070 C CG A GLN A 1 187 ? 17.382 -43.309 -54.888 0.40 40.97 ? 187 GLN A CG 1 +ATOM 2071 C CG B GLN A 1 187 ? 17.380 -43.280 -54.894 0.60 40.96 ? 187 GLN A CG 1 +ATOM 2072 C CD A GLN A 1 187 ? 17.369 -44.843 -54.922 0.40 45.81 ? 187 GLN A CD 1 +ATOM 2073 C CD B GLN A 1 187 ? 17.371 -44.814 -54.982 0.60 45.90 ? 187 GLN A CD 1 +ATOM 2074 O OE1 A GLN A 1 187 ? 18.181 -45.522 -54.260 0.40 42.38 ? 187 GLN A OE1 1 +ATOM 2075 O OE1 B GLN A 1 187 ? 18.217 -45.505 -54.395 0.60 42.48 ? 187 GLN A OE1 1 +ATOM 2076 N NE2 A GLN A 1 187 ? 16.451 -45.398 -55.716 0.40 41.47 ? 187 GLN A NE2 1 +ATOM 2077 N NE2 B GLN A 1 187 ? 16.409 -45.346 -55.729 0.60 41.36 ? 187 GLN A NE2 1 +ATOM 2078 N N A ALA A 1 188 ? 19.702 -41.555 -57.183 0.40 47.12 ? 188 ALA A N 1 +ATOM 2079 N N B ALA A 1 188 ? 19.763 -41.533 -57.150 0.60 47.24 ? 188 ALA A N 1 +ATOM 2080 C CA A ALA A 1 188 ? 19.452 -41.279 -58.593 0.40 44.81 ? 188 ALA A CA 1 +ATOM 2081 C CA B ALA A 1 188 ? 19.505 -41.234 -58.554 0.60 44.69 ? 188 ALA A CA 1 +ATOM 2082 C C A ALA A 1 188 ? 20.502 -41.924 -59.486 0.40 52.58 ? 188 ALA A C 1 +ATOM 2083 C C B ALA A 1 188 ? 20.526 -41.902 -59.462 0.60 52.86 ? 188 ALA A C 1 +ATOM 2084 O O A ALA A 1 188 ? 20.185 -42.390 -60.588 0.40 47.91 ? 188 ALA A O 1 +ATOM 2085 O O B ALA A 1 188 ? 20.183 -42.373 -60.552 0.60 47.96 ? 188 ALA A O 1 +ATOM 2086 C CB A ALA A 1 188 ? 19.406 -39.775 -58.848 0.40 45.51 ? 188 ALA A CB 1 +ATOM 2087 C CB B ALA A 1 188 ? 19.508 -39.726 -58.794 0.60 45.56 ? 188 ALA A CB 1 +ATOM 2088 N N A GLU A 1 189 ? 21.750 -41.987 -59.028 0.40 45.59 ? 189 GLU A N 1 +ATOM 2089 N N B GLU A 1 189 ? 21.781 -41.969 -59.030 0.60 45.64 ? 189 GLU A N 1 +ATOM 2090 C CA A GLU A 1 189 ? 22.846 -42.385 -59.906 0.40 43.01 ? 189 GLU A CA 1 +ATOM 2091 C CA B GLU A 1 189 ? 22.854 -42.381 -59.919 0.60 42.90 ? 189 GLU A CA 1 +ATOM 2092 C C A GLU A 1 189 ? 23.262 -43.843 -59.747 0.40 46.06 ? 189 GLU A C 1 +ATOM 2093 C C B GLU A 1 189 ? 23.254 -43.837 -59.762 0.60 46.07 ? 189 GLU A C 1 +ATOM 2094 O O A GLU A 1 189 ? 23.987 -44.354 -60.605 0.40 46.40 ? 189 GLU A O 1 +ATOM 2095 O O B GLU A 1 189 ? 23.982 -44.355 -60.615 0.60 46.43 ? 189 GLU A O 1 +ATOM 2096 C CB A GLU A 1 189 ? 24.049 -41.451 -59.685 0.40 45.45 ? 189 GLU A CB 1 +ATOM 2097 C CB B GLU A 1 189 ? 24.065 -41.476 -59.704 0.60 45.44 ? 189 GLU A CB 1 +ATOM 2098 C CG A GLU A 1 189 ? 23.749 -40.030 -60.193 0.40 46.68 ? 189 GLU A CG 1 +ATOM 2099 C CG B GLU A 1 189 ? 23.759 -40.036 -60.103 0.60 46.66 ? 189 GLU A CG 1 +ATOM 2100 C CD A GLU A 1 189 ? 24.833 -39.012 -59.905 0.40 46.99 ? 189 GLU A CD 1 +ATOM 2101 C CD B GLU A 1 189 ? 24.938 -39.117 -59.949 0.60 47.36 ? 189 GLU A CD 1 +ATOM 2102 O OE1 A GLU A 1 189 ? 25.811 -39.348 -59.227 0.40 51.31 ? 189 GLU A OE1 1 +ATOM 2103 O OE1 B GLU A 1 189 ? 25.995 -39.610 -59.534 0.60 56.92 ? 189 GLU A OE1 1 +ATOM 2104 O OE2 A GLU A 1 189 ? 24.712 -37.863 -60.366 0.40 48.25 ? 189 GLU A OE2 1 +ATOM 2105 O OE2 B GLU A 1 189 ? 24.816 -37.920 -60.260 0.60 48.11 ? 189 GLU A OE2 1 +ATOM 2106 N N A HIS A 1 190 ? 22.802 -44.537 -58.698 0.40 45.69 ? 190 HIS A N 1 +ATOM 2107 N N B HIS A 1 190 ? 22.789 -44.515 -58.708 0.60 45.75 ? 190 HIS A N 1 +ATOM 2108 C CA A HIS A 1 190 ? 23.165 -45.936 -58.512 0.40 44.21 ? 190 HIS A CA 1 +ATOM 2109 C CA B HIS A 1 190 ? 23.157 -45.908 -58.493 0.60 44.23 ? 190 HIS A CA 1 +ATOM 2110 C C A HIS A 1 190 ? 21.996 -46.829 -58.112 0.40 45.60 ? 190 HIS A C 1 +ATOM 2111 C C B HIS A 1 190 ? 21.992 -46.798 -58.083 0.60 45.69 ? 190 HIS A C 1 +ATOM 2112 O O A HIS A 1 190 ? 22.186 -48.045 -57.998 0.40 47.98 ? 190 HIS A O 1 +ATOM 2113 O O B HIS A 1 190 ? 22.173 -48.018 -58.020 0.60 48.12 ? 190 HIS A O 1 +ATOM 2114 C CB A HIS A 1 190 ? 24.275 -46.051 -57.443 0.40 43.32 ? 190 HIS A CB 1 +ATOM 2115 C CB B HIS A 1 190 ? 24.263 -45.990 -57.427 0.60 43.23 ? 190 HIS A CB 1 +ATOM 2116 C CG A HIS A 1 190 ? 25.454 -45.177 -57.711 0.40 46.42 ? 190 HIS A CG 1 +ATOM 2117 C CG B HIS A 1 190 ? 25.458 -45.150 -57.743 0.60 46.49 ? 190 HIS A CG 1 +ATOM 2118 N ND1 A HIS A 1 190 ? 26.424 -45.506 -58.633 0.40 49.15 ? 190 HIS A ND1 1 +ATOM 2119 N ND1 B HIS A 1 190 ? 26.369 -45.490 -58.720 0.60 49.32 ? 190 HIS A ND1 1 +ATOM 2120 C CD2 A HIS A 1 190 ? 25.807 -43.969 -57.205 0.40 44.45 ? 190 HIS A CD2 1 +ATOM 2121 C CD2 B HIS A 1 190 ? 25.882 -43.967 -57.232 0.60 44.45 ? 190 HIS A CD2 1 +ATOM 2122 C CE1 A HIS A 1 190 ? 27.329 -44.543 -58.680 0.40 48.25 ? 190 HIS A CE1 1 +ATOM 2123 C CE1 B HIS A 1 190 ? 27.310 -44.564 -58.790 0.60 48.26 ? 190 HIS A CE1 1 +ATOM 2124 N NE2 A HIS A 1 190 ? 26.978 -43.600 -57.819 0.40 52.11 ? 190 HIS A NE2 1 +ATOM 2125 N NE2 B HIS A 1 190 ? 27.035 -43.626 -57.900 0.60 52.50 ? 190 HIS A NE2 1 +ATOM 2126 N N A ASN A 1 191 ? 20.815 -46.271 -57.865 0.40 44.72 ? 191 ASN A N 1 +ATOM 2127 N N B ASN A 1 191 ? 20.813 -46.238 -57.806 0.60 44.70 ? 191 ASN A N 1 +ATOM 2128 C CA A ASN A 1 191 ? 19.663 -47.028 -57.380 0.40 42.95 ? 191 ASN A CA 1 +ATOM 2129 C CA B ASN A 1 191 ? 19.649 -46.994 -57.354 0.60 42.83 ? 191 ASN A CA 1 +ATOM 2130 C C A ASN A 1 191 ? 20.044 -47.892 -56.173 0.40 46.34 ? 191 ASN A C 1 +ATOM 2131 C C B ASN A 1 191 ? 20.011 -47.874 -56.154 0.60 46.50 ? 191 ASN A C 1 +ATOM 2132 O O A ASN A 1 191 ? 19.774 -49.089 -56.119 0.40 47.55 ? 191 ASN A O 1 +ATOM 2133 O O B ASN A 1 191 ? 19.744 -49.078 -56.125 0.60 47.60 ? 191 ASN A O 1 +ATOM 2134 C CB A ASN A 1 191 ? 19.045 -47.864 -58.505 0.40 41.51 ? 191 ASN A CB 1 +ATOM 2135 C CB B ASN A 1 191 ? 19.054 -47.814 -58.505 0.60 41.40 ? 191 ASN A CB 1 +ATOM 2136 C CG A ASN A 1 191 ? 17.586 -48.187 -58.249 0.40 50.33 ? 191 ASN A CG 1 +ATOM 2137 C CG B ASN A 1 191 ? 17.604 -48.189 -58.266 0.60 50.51 ? 191 ASN A CG 1 +ATOM 2138 O OD1 A ASN A 1 191 ? 17.037 -47.852 -57.187 0.40 50.07 ? 191 ASN A OD1 1 +ATOM 2139 O OD1 B ASN A 1 191 ? 17.037 -47.892 -57.207 0.60 50.36 ? 191 ASN A OD1 1 +ATOM 2140 N ND2 A ASN A 1 191 ? 16.955 -48.855 -59.203 0.40 47.42 ? 191 ASN A ND2 1 +ATOM 2141 N ND2 B ASN A 1 191 ? 16.994 -48.846 -59.243 0.60 47.45 ? 191 ASN A ND2 1 +ATOM 2142 N N A ILE A 1 192 ? 20.643 -47.243 -55.166 0.40 46.85 ? 192 ILE A N 1 +ATOM 2143 N N B ILE A 1 192 ? 20.616 -47.240 -55.142 0.60 46.98 ? 192 ILE A N 1 +ATOM 2144 C CA A ILE A 1 192 ? 21.204 -47.965 -54.029 0.40 43.39 ? 192 ILE A CA 1 +ATOM 2145 C CA B ILE A 1 192 ? 21.192 -47.964 -54.011 0.60 43.32 ? 192 ILE A CA 1 +ATOM 2146 C C A ILE A 1 192 ? 20.134 -48.758 -53.277 0.40 48.70 ? 192 ILE A C 1 +ATOM 2147 C C B ILE A 1 192 ? 20.132 -48.764 -53.255 0.60 48.90 ? 192 ILE A C 1 +ATOM 2148 O O A ILE A 1 192 ? 20.422 -49.832 -52.732 0.40 42.46 ? 192 ILE A O 1 +ATOM 2149 O O B ILE A 1 192 ? 20.423 -49.843 -52.716 0.60 42.29 ? 192 ILE A O 1 +ATOM 2150 C CB A ILE A 1 192 ? 21.962 -46.978 -53.107 0.40 53.19 ? 192 ILE A CB 1 +ATOM 2151 C CB B ILE A 1 192 ? 21.937 -46.978 -53.078 0.60 53.53 ? 192 ILE A CB 1 +ATOM 2152 C CG1 A ILE A 1 192 ? 22.436 -47.682 -51.825 0.40 44.12 ? 192 ILE A CG1 1 +ATOM 2153 C CG1 B ILE A 1 192 ? 22.464 -47.701 -51.829 0.60 44.13 ? 192 ILE A CG1 1 +ATOM 2154 C CG2 A ILE A 1 192 ? 21.106 -45.720 -52.788 0.40 38.63 ? 192 ILE A CG2 1 +ATOM 2155 C CG2 B ILE A 1 192 ? 21.053 -45.737 -52.726 0.60 38.38 ? 192 ILE A CG2 1 +ATOM 2156 C CD1 A ILE A 1 192 ? 23.437 -46.844 -51.013 0.40 42.79 ? 192 ILE A CD1 1 +ATOM 2157 C CD1 B ILE A 1 192 ? 23.444 -46.868 -51.012 0.60 42.84 ? 192 ILE A CD1 1 +ATOM 2158 N N A LEU A 1 193 ? 18.881 -48.282 -53.265 0.40 43.96 ? 193 LEU A N 1 +ATOM 2159 N N B LEU A 1 193 ? 18.888 -48.267 -53.206 0.60 43.98 ? 193 LEU A N 1 +ATOM 2160 C CA A LEU A 1 193 ? 17.844 -49.035 -52.560 0.40 44.95 ? 193 LEU A CA 1 +ATOM 2161 C CA B LEU A 1 193 ? 17.835 -49.029 -52.540 0.60 44.97 ? 193 LEU A CA 1 +ATOM 2162 C C A LEU A 1 193 ? 17.684 -50.440 -53.140 0.40 50.79 ? 193 LEU A C 1 +ATOM 2163 C C B LEU A 1 193 ? 17.702 -50.423 -53.138 0.60 50.96 ? 193 LEU A C 1 +ATOM 2164 O O A LEU A 1 193 ? 17.357 -51.375 -52.406 0.40 45.98 ? 193 LEU A O 1 +ATOM 2165 O O B LEU A 1 193 ? 17.420 -51.385 -52.416 0.60 45.92 ? 193 LEU A O 1 +ATOM 2166 C CB A LEU A 1 193 ? 16.504 -48.291 -52.582 0.40 39.16 ? 193 LEU A CB 1 +ATOM 2167 C CB B LEU A 1 193 ? 16.505 -48.275 -52.603 0.60 39.02 ? 193 LEU A CB 1 +ATOM 2168 C CG A LEU A 1 193 ? 16.464 -47.015 -51.702 0.40 45.34 ? 193 LEU A CG 1 +ATOM 2169 C CG B LEU A 1 193 ? 16.479 -47.006 -51.732 0.60 45.43 ? 193 LEU A CG 1 +ATOM 2170 C CD1 A LEU A 1 193 ? 15.183 -46.240 -51.911 0.40 38.35 ? 193 LEU A CD1 1 +ATOM 2171 C CD1 B LEU A 1 193 ? 15.180 -46.227 -51.896 0.60 38.22 ? 193 LEU A CD1 1 +ATOM 2172 C CD2 A LEU A 1 193 ? 16.647 -47.329 -50.199 0.40 43.17 ? 193 LEU A CD2 1 +ATOM 2173 C CD2 B LEU A 1 193 ? 16.721 -47.339 -50.241 0.60 43.29 ? 193 LEU A CD2 1 +ATOM 2174 N N A MET A 1 194 ? 17.932 -50.613 -54.438 0.40 47.79 ? 194 MET A N 1 +ATOM 2175 N N B MET A 1 194 ? 17.948 -50.565 -54.437 0.60 47.86 ? 194 MET A N 1 +ATOM 2176 C CA A MET A 1 194 ? 17.831 -51.914 -55.083 0.40 46.81 ? 194 MET A CA 1 +ATOM 2177 C CA B MET A 1 194 ? 17.846 -51.856 -55.096 0.60 46.79 ? 194 MET A CA 1 +ATOM 2178 C C A MET A 1 194 ? 19.152 -52.686 -55.076 0.40 48.37 ? 194 MET A C 1 +ATOM 2179 C C B MET A 1 194 ? 19.155 -52.639 -55.077 0.60 48.51 ? 194 MET A C 1 +ATOM 2180 O O A MET A 1 194 ? 19.294 -53.657 -55.819 0.40 45.98 ? 194 MET A O 1 +ATOM 2181 O O B MET A 1 194 ? 19.265 -53.654 -55.766 0.60 45.93 ? 194 MET A O 1 +ATOM 2182 C CB A MET A 1 194 ? 17.316 -51.734 -56.513 0.40 42.48 ? 194 MET A CB 1 +ATOM 2183 C CB B MET A 1 194 ? 17.350 -51.654 -56.523 0.60 42.32 ? 194 MET A CB 1 +ATOM 2184 C CG A MET A 1 194 ? 15.869 -51.193 -56.561 0.40 43.91 ? 194 MET A CG 1 +ATOM 2185 C CG B MET A 1 194 ? 15.913 -51.143 -56.567 0.60 43.88 ? 194 MET A CG 1 +ATOM 2186 S SD A MET A 1 194 ? 14.660 -52.417 -56.012 0.40 50.08 ? 194 MET A SD 1 +ATOM 2187 S SD B MET A 1 194 ? 14.723 -52.388 -55.999 0.60 50.14 ? 194 MET A SD 1 +ATOM 2188 C CE A MET A 1 194 ? 14.641 -53.501 -57.437 0.40 47.65 ? 194 MET A CE 1 +ATOM 2189 C CE B MET A 1 194 ? 14.766 -53.522 -57.375 0.60 47.70 ? 194 MET A CE 1 +ATOM 2190 N N A HIS A 1 195 ? 20.108 -52.274 -54.284 0.40 48.58 ? 195 HIS A N 1 +ATOM 2191 N N B HIS A 1 195 ? 20.133 -52.213 -54.301 0.60 48.64 ? 195 HIS A N 1 +ATOM 2192 C CA A HIS A 1 195 ? 21.376 -52.993 -54.249 0.40 50.03 ? 195 HIS A CA 1 +ATOM 2193 C CA B HIS A 1 195 ? 21.388 -52.956 -54.250 0.60 50.19 ? 195 HIS A CA 1 +ATOM 2194 C C A HIS A 1 195 ? 21.398 -53.930 -53.049 0.40 45.02 ? 195 HIS A C 1 +ATOM 2195 C C B HIS A 1 195 ? 21.401 -53.881 -53.042 0.60 44.96 ? 195 HIS A C 1 +ATOM 2196 O O A HIS A 1 195 ? 21.137 -53.482 -51.924 0.40 47.33 ? 195 HIS A O 1 +ATOM 2197 O O B HIS A 1 195 ? 21.184 -53.412 -51.917 0.60 47.37 ? 195 HIS A O 1 +ATOM 2198 C CB A HIS A 1 195 ? 22.540 -52.011 -54.158 0.40 46.55 ? 195 HIS A CB 1 +ATOM 2199 C CB B HIS A 1 195 ? 22.569 -51.995 -54.175 0.60 46.58 ? 195 HIS A CB 1 +ATOM 2200 C CG A HIS A 1 195 ? 23.865 -52.616 -54.498 0.40 47.71 ? 195 HIS A CG 1 +ATOM 2201 C CG B HIS A 1 195 ? 23.879 -52.624 -54.524 0.60 47.76 ? 195 HIS A CG 1 +ATOM 2202 N ND1 A HIS A 1 195 ? 24.498 -53.528 -53.681 0.40 50.86 ? 195 HIS A ND1 1 +ATOM 2203 N ND1 B HIS A 1 195 ? 24.487 -53.566 -53.726 0.60 51.03 ? 195 HIS A ND1 1 +ATOM 2204 C CD2 A HIS A 1 195 ? 24.677 -52.444 -55.569 0.40 48.55 ? 195 HIS A CD2 1 +ATOM 2205 C CD2 B HIS A 1 195 ? 24.698 -52.445 -55.586 0.60 48.60 ? 195 HIS A CD2 1 +ATOM 2206 C CE1 A HIS A 1 195 ? 25.644 -53.887 -54.230 0.40 50.14 ? 195 HIS A CE1 1 +ATOM 2207 C CE1 B HIS A 1 195 ? 25.629 -53.938 -54.278 0.60 50.16 ? 195 HIS A CE1 1 +ATOM 2208 N NE2 A HIS A 1 195 ? 25.779 -53.241 -55.373 0.40 47.97 ? 195 HIS A NE2 1 +ATOM 2209 N NE2 B HIS A 1 195 ? 25.781 -53.271 -55.405 0.60 48.00 ? 195 HIS A NE2 1 +ATOM 2210 N N A PRO A 1 196 ? 21.709 -55.217 -53.219 0.40 46.76 ? 196 PRO A N 1 +ATOM 2211 N N B PRO A 1 196 ? 21.682 -55.177 -53.208 0.60 46.81 ? 196 PRO A N 1 +ATOM 2212 C CA A PRO A 1 196 ? 21.629 -56.143 -52.070 0.40 44.89 ? 196 PRO A CA 1 +ATOM 2213 C CA B PRO A 1 196 ? 21.608 -56.090 -52.049 0.60 44.77 ? 196 PRO A CA 1 +ATOM 2214 C C A PRO A 1 196 ? 22.573 -55.801 -50.925 0.40 47.13 ? 196 PRO A C 1 +ATOM 2215 C C B PRO A 1 196 ? 22.578 -55.759 -50.922 0.60 47.21 ? 196 PRO A C 1 +ATOM 2216 O O A PRO A 1 196 ? 22.271 -56.167 -49.782 0.40 46.80 ? 196 PRO A O 1 +ATOM 2217 O O B PRO A 1 196 ? 22.294 -56.099 -49.764 0.60 46.72 ? 196 PRO A O 1 +ATOM 2218 C CB A PRO A 1 196 ? 21.964 -57.518 -52.683 0.40 50.48 ? 196 PRO A CB 1 +ATOM 2219 C CB B PRO A 1 196 ? 21.902 -57.471 -52.662 0.60 50.56 ? 196 PRO A CB 1 +ATOM 2220 C CG A PRO A 1 196 ? 22.552 -57.252 -54.013 0.40 45.33 ? 196 PRO A CG 1 +ATOM 2221 C CG B PRO A 1 196 ? 22.487 -57.215 -54.010 0.60 45.29 ? 196 PRO A CG 1 +ATOM 2222 C CD A PRO A 1 196 ? 21.995 -55.918 -54.486 0.40 43.36 ? 196 PRO A CD 1 +ATOM 2223 C CD B PRO A 1 196 ? 21.928 -55.898 -54.472 0.60 43.27 ? 196 PRO A CD 1 +ATOM 2224 N N A PHE A 1 197 ? 23.692 -55.108 -51.179 0.40 49.53 ? 197 PHE A N 1 +ATOM 2225 N N B PHE A 1 197 ? 23.706 -55.094 -51.204 0.60 49.65 ? 197 PHE A N 1 +ATOM 2226 C CA A PHE A 1 197 ? 24.591 -54.754 -50.077 0.40 50.40 ? 197 PHE A CA 1 +ATOM 2227 C CA B PHE A 1 197 ? 24.616 -54.740 -50.112 0.60 50.53 ? 197 PHE A CA 1 +ATOM 2228 C C A PHE A 1 197 ? 24.002 -53.665 -49.191 0.40 49.80 ? 197 PHE A C 1 +ATOM 2229 C C B PHE A 1 197 ? 24.040 -53.643 -49.225 0.60 49.91 ? 197 PHE A C 1 +ATOM 2230 O O A PHE A 1 197 ? 24.232 -53.677 -47.974 0.40 45.93 ? 197 PHE A O 1 +ATOM 2231 O O B PHE A 1 197 ? 24.308 -53.627 -48.016 0.60 45.87 ? 197 PHE A O 1 +ATOM 2232 C CB A PHE A 1 197 ? 25.962 -54.310 -50.587 0.40 51.37 ? 197 PHE A CB 1 +ATOM 2233 C CB B PHE A 1 197 ? 25.985 -54.319 -50.648 0.60 51.51 ? 197 PHE A CB 1 +ATOM 2234 C CG A PHE A 1 197 ? 26.843 -55.443 -51.020 0.40 54.89 ? 197 PHE A CG 1 +ATOM 2235 C CG B PHE A 1 197 ? 26.863 -55.477 -51.041 0.60 54.99 ? 197 PHE A CG 1 +ATOM 2236 C CD1 A PHE A 1 197 ? 26.332 -56.731 -51.136 0.40 55.09 ? 197 PHE A CD1 1 +ATOM 2237 C CD1 B PHE A 1 197 ? 26.347 -56.762 -51.119 0.60 55.18 ? 197 PHE A CD1 1 +ATOM 2238 C CD2 A PHE A 1 197 ? 28.176 -55.228 -51.323 0.40 55.85 ? 197 PHE A CD2 1 +ATOM 2239 C CD2 B PHE A 1 197 ? 28.202 -55.281 -51.333 0.60 56.01 ? 197 PHE A CD2 1 +ATOM 2240 C CE1 A PHE A 1 197 ? 27.136 -57.779 -51.540 0.40 54.56 ? 197 PHE A CE1 1 +ATOM 2241 C CE1 B PHE A 1 197 ? 27.151 -57.831 -51.482 0.60 54.55 ? 197 PHE A CE1 1 +ATOM 2242 C CE2 A PHE A 1 197 ? 28.988 -56.292 -51.732 0.40 54.98 ? 197 PHE A CE2 1 +ATOM 2243 C CE2 B PHE A 1 197 ? 29.011 -56.347 -51.693 0.60 54.96 ? 197 PHE A CE2 1 +ATOM 2244 C CZ A PHE A 1 197 ? 28.462 -57.552 -51.835 0.40 58.27 ? 197 PHE A CZ 1 +ATOM 2245 C CZ B PHE A 1 197 ? 28.484 -57.619 -51.765 0.60 58.31 ? 197 PHE A CZ 1 +ATOM 2246 N N A HIS A 1 198 ? 23.262 -52.712 -49.770 0.40 41.93 ? 198 HIS A N 1 +ATOM 2247 N N B HIS A 1 198 ? 23.253 -52.719 -49.788 0.60 41.76 ? 198 HIS A N 1 +ATOM 2248 C CA A HIS A 1 198 ? 22.539 -51.761 -48.927 0.40 42.36 ? 198 HIS A CA 1 +ATOM 2249 C CA B HIS A 1 198 ? 22.550 -51.771 -48.927 0.60 42.33 ? 198 HIS A CA 1 +ATOM 2250 C C A HIS A 1 198 ? 21.422 -52.469 -48.179 0.40 39.60 ? 198 HIS A C 1 +ATOM 2251 C C B HIS A 1 198 ? 21.418 -52.466 -48.188 0.60 39.44 ? 198 HIS A C 1 +ATOM 2252 O O A HIS A 1 198 ? 21.176 -52.194 -47.003 0.40 45.49 ? 198 HIS A O 1 +ATOM 2253 O O B HIS A 1 198 ? 21.157 -52.169 -47.018 0.60 45.59 ? 198 HIS A O 1 +ATOM 2254 C CB A HIS A 1 198 ? 21.978 -50.597 -49.762 0.40 41.25 ? 198 HIS A CB 1 +ATOM 2255 C CB B HIS A 1 198 ? 22.014 -50.576 -49.734 0.60 41.20 ? 198 HIS A CB 1 +ATOM 2256 C CG A HIS A 1 198 ? 21.242 -49.571 -48.944 0.40 47.03 ? 198 HIS A CG 1 +ATOM 2257 C CG B HIS A 1 198 ? 21.285 -49.555 -48.900 0.60 47.19 ? 198 HIS A CG 1 +ATOM 2258 N ND1 A HIS A 1 198 ? 19.870 -49.571 -48.800 0.40 43.77 ? 198 HIS A ND1 1 +ATOM 2259 N ND1 B HIS A 1 198 ? 19.910 -49.497 -48.823 0.60 43.82 ? 198 HIS A ND1 1 +ATOM 2260 C CD2 A HIS A 1 198 ? 21.693 -48.520 -48.215 0.40 45.62 ? 198 HIS A CD2 1 +ATOM 2261 C CD2 B HIS A 1 198 ? 21.742 -48.561 -48.100 0.60 45.78 ? 198 HIS A CD2 1 +ATOM 2262 C CE1 A HIS A 1 198 ? 19.507 -48.569 -48.015 0.40 41.08 ? 198 HIS A CE1 1 +ATOM 2263 C CE1 B HIS A 1 198 ? 19.548 -48.511 -48.020 0.60 41.08 ? 198 HIS A CE1 1 +ATOM 2264 N NE2 A HIS A 1 198 ? 20.594 -47.910 -47.650 0.40 45.46 ? 198 HIS A NE2 1 +ATOM 2265 N NE2 B HIS A 1 198 ? 20.642 -47.923 -47.568 0.60 45.62 ? 198 HIS A NE2 1 +ATOM 2266 N N . GLN A 1 199 ? 20.744 -53.406 -48.856 1.00 42.47 ? 199 GLN A N 1 +ATOM 2267 C CA . GLN A 1 199 ? 19.704 -54.185 -48.190 1.00 50.42 ? 199 GLN A CA 1 +ATOM 2268 C C . GLN A 1 199 ? 20.278 -55.014 -47.038 1.00 47.23 ? 199 GLN A C 1 +ATOM 2269 O O . GLN A 1 199 ? 19.669 -55.091 -45.958 1.00 44.91 ? 199 GLN A O 1 +ATOM 2270 C CB . GLN A 1 199 ? 18.980 -55.061 -49.213 1.00 49.09 ? 199 GLN A CB 1 +ATOM 2271 C CG . GLN A 1 199 ? 18.255 -54.243 -50.292 1.00 43.33 ? 199 GLN A CG 1 +ATOM 2272 C CD . GLN A 1 199 ? 17.885 -55.104 -51.496 1.00 55.60 ? 199 GLN A CD 1 +ATOM 2273 O OE1 . GLN A 1 199 ? 18.155 -56.303 -51.513 1.00 53.07 ? 199 GLN A OE1 1 +ATOM 2274 N NE2 . GLN A 1 199 ? 17.283 -54.496 -52.506 1.00 48.25 ? 199 GLN A NE2 1 +ATOM 2275 N N A LEU A 1 200 ? 21.454 -55.636 -47.240 0.50 45.97 ? 200 LEU A N 1 +ATOM 2276 N N B LEU A 1 200 ? 21.447 -55.620 -47.232 0.50 45.96 ? 200 LEU A N 1 +ATOM 2277 C CA A LEU A 1 200 ? 22.119 -56.294 -46.119 0.50 42.46 ? 200 LEU A CA 1 +ATOM 2278 C CA B LEU A 1 200 ? 22.101 -56.281 -46.109 0.50 42.43 ? 200 LEU A CA 1 +ATOM 2279 C C A LEU A 1 200 ? 22.505 -55.282 -45.044 0.50 48.45 ? 200 LEU A C 1 +ATOM 2280 C C B LEU A 1 200 ? 22.473 -55.272 -45.032 0.50 48.44 ? 200 LEU A C 1 +ATOM 2281 O O A LEU A 1 200 ? 22.425 -55.577 -43.844 0.50 44.15 ? 200 LEU A O 1 +ATOM 2282 O O B LEU A 1 200 ? 22.350 -55.556 -43.832 0.50 44.11 ? 200 LEU A O 1 +ATOM 2283 C CB A LEU A 1 200 ? 23.342 -57.069 -46.618 0.50 49.02 ? 200 LEU A CB 1 +ATOM 2284 C CB B LEU A 1 200 ? 23.332 -57.043 -46.596 0.50 49.01 ? 200 LEU A CB 1 +ATOM 2285 C CG A LEU A 1 200 ? 23.042 -58.377 -47.371 0.50 52.90 ? 200 LEU A CG 1 +ATOM 2286 C CG B LEU A 1 200 ? 22.997 -58.339 -47.341 0.50 52.84 ? 200 LEU A CG 1 +ATOM 2287 C CD1 A LEU A 1 200 ? 24.261 -58.898 -48.131 0.50 52.44 ? 200 LEU A CD1 1 +ATOM 2288 C CD1 B LEU A 1 200 ? 24.202 -58.845 -48.135 0.50 52.43 ? 200 LEU A CD1 1 +ATOM 2289 C CD2 A LEU A 1 200 ? 22.502 -59.436 -46.409 0.50 49.27 ? 200 LEU A CD2 1 +ATOM 2290 C CD2 B LEU A 1 200 ? 22.505 -59.381 -46.340 0.50 49.14 ? 200 LEU A CD2 1 +ATOM 2291 N N . GLY A 1 201 ? 22.915 -54.076 -45.442 1.00 48.05 ? 201 GLY A N 1 +ATOM 2292 C CA . GLY A 1 201 ? 23.208 -53.046 -44.458 1.00 44.57 ? 201 GLY A CA 1 +ATOM 2293 C C . GLY A 1 201 ? 21.992 -52.678 -43.629 1.00 43.21 ? 201 GLY A C 1 +ATOM 2294 O O . GLY A 1 201 ? 22.090 -52.498 -42.420 1.00 43.39 ? 201 GLY A O 1 +ATOM 2295 N N . VAL A 1 202 ? 20.820 -52.581 -44.265 1.00 47.32 ? 202 VAL A N 1 +ATOM 2296 C CA . VAL A 1 202 ? 19.613 -52.251 -43.507 1.00 44.11 ? 202 VAL A CA 1 +ATOM 2297 C C . VAL A 1 202 ? 19.278 -53.370 -42.526 1.00 45.36 ? 202 VAL A C 1 +ATOM 2298 O O . VAL A 1 202 ? 18.903 -53.108 -41.372 1.00 48.09 ? 202 VAL A O 1 +ATOM 2299 C CB . VAL A 1 202 ? 18.444 -51.950 -44.470 1.00 45.21 ? 202 VAL A CB 1 +ATOM 2300 C CG1 . VAL A 1 202 ? 17.119 -51.853 -43.702 1.00 42.79 ? 202 VAL A CG1 1 +ATOM 2301 C CG2 . VAL A 1 202 ? 18.714 -50.649 -45.227 1.00 39.57 ? 202 VAL A CG2 1 +ATOM 2302 N N A ALA A 1 203 ? 19.404 -54.631 -42.972 0.40 44.77 ? 203 ALA A N 1 +ATOM 2303 N N B ALA A 1 203 ? 19.402 -54.634 -42.963 0.60 44.77 ? 203 ALA A N 1 +ATOM 2304 C CA A ALA A 1 203 ? 19.245 -55.769 -42.075 0.40 45.03 ? 203 ALA A CA 1 +ATOM 2305 C CA B ALA A 1 203 ? 19.239 -55.763 -42.053 0.60 44.98 ? 203 ALA A CA 1 +ATOM 2306 C C A ALA A 1 203 ? 20.227 -55.682 -40.913 0.40 46.80 ? 203 ALA A C 1 +ATOM 2307 C C B ALA A 1 203 ? 20.243 -55.692 -40.911 0.60 46.83 ? 203 ALA A C 1 +ATOM 2308 O O A ALA A 1 203 ? 19.876 -55.977 -39.763 0.40 47.51 ? 203 ALA A O 1 +ATOM 2309 O O B ALA A 1 203 ? 19.915 -56.010 -39.761 0.60 47.59 ? 203 ALA A O 1 +ATOM 2310 C CB A ALA A 1 203 ? 19.434 -57.085 -42.845 0.40 50.05 ? 203 ALA A CB 1 +ATOM 2311 C CB B ALA A 1 203 ? 19.385 -57.084 -42.817 0.60 50.11 ? 203 ALA A CB 1 +ATOM 2312 N N A GLY A 1 204 ? 21.458 -55.259 -41.196 0.40 46.98 ? 204 GLY A N 1 +ATOM 2313 N N B GLY A 1 204 ? 21.468 -55.252 -41.210 0.60 46.99 ? 204 GLY A N 1 +ATOM 2314 C CA A GLY A 1 204 ? 22.427 -55.070 -40.135 0.40 43.46 ? 204 GLY A CA 1 +ATOM 2315 C CA B GLY A 1 204 ? 22.467 -55.082 -40.166 0.60 43.34 ? 204 GLY A CA 1 +ATOM 2316 C C A GLY A 1 204 ? 21.974 -54.078 -39.078 0.40 52.23 ? 204 GLY A C 1 +ATOM 2317 C C B GLY A 1 204 ? 22.049 -54.107 -39.074 0.60 52.48 ? 204 GLY A C 1 +ATOM 2318 O O A GLY A 1 204 ? 22.074 -54.353 -37.877 0.40 50.83 ? 204 GLY A O 1 +ATOM 2319 O O B GLY A 1 204 ? 22.202 -54.401 -37.884 0.60 51.02 ? 204 GLY A O 1 +ATOM 2320 N N A VAL A 1 205 ? 21.479 -52.903 -39.495 0.40 42.99 ? 205 VAL A N 1 +ATOM 2321 N N B VAL A 1 205 ? 21.534 -52.928 -39.451 0.60 43.01 ? 205 VAL A N 1 +ATOM 2322 C CA A VAL A 1 205 ? 21.199 -51.888 -38.482 0.40 43.91 ? 205 VAL A CA 1 +ATOM 2323 C CA B VAL A 1 205 ? 21.250 -51.920 -38.425 0.60 43.74 ? 205 VAL A CA 1 +ATOM 2324 C C A VAL A 1 205 ? 19.799 -52.052 -37.900 0.40 43.12 ? 205 VAL A C 1 +ATOM 2325 C C B VAL A 1 205 ? 19.834 -52.065 -37.874 0.60 43.04 ? 205 VAL A C 1 +ATOM 2326 O O A VAL A 1 205 ? 19.611 -51.861 -36.699 0.40 45.57 ? 205 VAL A O 1 +ATOM 2327 O O B VAL A 1 205 ? 19.620 -51.859 -36.680 0.60 45.64 ? 205 VAL A O 1 +ATOM 2328 C CB A VAL A 1 205 ? 21.449 -50.447 -39.005 0.40 48.81 ? 205 VAL A CB 1 +ATOM 2329 C CB B VAL A 1 205 ? 21.518 -50.474 -38.922 0.60 48.93 ? 205 VAL A CB 1 +ATOM 2330 C CG1 A VAL A 1 205 ? 22.856 -50.326 -39.624 0.40 44.80 ? 205 VAL A CG1 1 +ATOM 2331 C CG1 B VAL A 1 205 ? 22.903 -50.355 -39.573 0.60 44.83 ? 205 VAL A CG1 1 +ATOM 2332 C CG2 A VAL A 1 205 ? 20.359 -49.966 -39.968 0.40 46.44 ? 205 VAL A CG2 1 +ATOM 2333 C CG2 B VAL A 1 205 ? 20.416 -49.964 -39.852 0.60 46.58 ? 205 VAL A CG2 1 +ATOM 2334 N N A PHE A 1 206 ? 18.794 -52.417 -38.708 0.40 45.37 ? 206 PHE A N 1 +ATOM 2335 N N B PHE A 1 206 ? 18.840 -52.420 -38.700 0.60 45.46 ? 206 PHE A N 1 +ATOM 2336 C CA A PHE A 1 206 ? 17.513 -52.815 -38.123 0.40 41.41 ? 206 PHE A CA 1 +ATOM 2337 C CA B PHE A 1 206 ? 17.542 -52.793 -38.139 0.60 41.27 ? 206 PHE A CA 1 +ATOM 2338 C C A PHE A 1 206 ? 17.699 -53.992 -37.172 0.40 45.89 ? 206 PHE A C 1 +ATOM 2339 C C B PHE A 1 206 ? 17.694 -53.980 -37.192 0.60 45.88 ? 206 PHE A C 1 +ATOM 2340 O O A PHE A 1 206 ? 17.205 -53.973 -36.041 0.40 50.24 ? 206 PHE A O 1 +ATOM 2341 O O B PHE A 1 206 ? 17.220 -53.942 -36.048 0.60 50.44 ? 206 PHE A O 1 +ATOM 2342 C CB A PHE A 1 206 ? 16.500 -53.187 -39.209 0.40 49.62 ? 206 PHE A CB 1 +ATOM 2343 C CB B PHE A 1 206 ? 16.539 -53.129 -39.244 0.60 49.80 ? 206 PHE A CB 1 +ATOM 2344 C CG A PHE A 1 206 ? 15.771 -52.016 -39.832 0.40 44.48 ? 206 PHE A CG 1 +ATOM 2345 C CG B PHE A 1 206 ? 15.809 -51.937 -39.816 0.60 44.41 ? 206 PHE A CG 1 +ATOM 2346 C CD1 A PHE A 1 206 ? 15.908 -50.730 -39.341 0.40 46.16 ? 206 PHE A CD1 1 +ATOM 2347 C CD1 B PHE A 1 206 ? 15.958 -50.670 -39.272 0.60 46.23 ? 206 PHE A CD1 1 +ATOM 2348 C CD2 A PHE A 1 206 ? 14.920 -52.228 -40.912 0.40 49.12 ? 206 PHE A CD2 1 +ATOM 2349 C CD2 B PHE A 1 206 ? 14.952 -52.099 -40.898 0.60 49.42 ? 206 PHE A CD2 1 +ATOM 2350 C CE1 A PHE A 1 206 ? 15.211 -49.659 -39.914 0.40 41.74 ? 206 PHE A CE1 1 +ATOM 2351 C CE1 B PHE A 1 206 ? 15.265 -49.580 -39.801 0.60 41.89 ? 206 PHE A CE1 1 +ATOM 2352 C CE2 A PHE A 1 206 ? 14.228 -51.165 -41.499 0.40 45.91 ? 206 PHE A CE2 1 +ATOM 2353 C CE2 B PHE A 1 206 ? 14.262 -51.015 -41.434 0.60 46.19 ? 206 PHE A CE2 1 +ATOM 2354 C CZ A PHE A 1 206 ? 14.372 -49.886 -40.992 0.40 45.24 ? 206 PHE A CZ 1 +ATOM 2355 C CZ B PHE A 1 206 ? 14.418 -49.756 -40.876 0.60 45.09 ? 206 PHE A CZ 1 +ATOM 2356 N N A GLY A 1 207 ? 18.413 -55.033 -37.618 0.40 44.97 ? 207 GLY A N 1 +ATOM 2357 N N B GLY A 1 207 ? 18.371 -55.044 -37.651 0.60 44.93 ? 207 GLY A N 1 +ATOM 2358 C CA A GLY A 1 207 ? 18.664 -56.169 -36.746 0.40 47.00 ? 207 GLY A CA 1 +ATOM 2359 C CA B GLY A 1 207 ? 18.608 -56.187 -36.785 0.60 46.94 ? 207 GLY A CA 1 +ATOM 2360 C C A GLY A 1 207 ? 19.487 -55.807 -35.522 0.40 49.07 ? 207 GLY A C 1 +ATOM 2361 C C B GLY A 1 207 ? 19.469 -55.847 -35.584 0.60 49.20 ? 207 GLY A C 1 +ATOM 2362 O O A GLY A 1 207 ? 19.201 -56.268 -34.411 0.40 47.12 ? 207 GLY A O 1 +ATOM 2363 O O B GLY A 1 207 ? 19.220 -56.330 -34.475 0.60 47.24 ? 207 GLY A O 1 +ATOM 2364 N N A GLY A 1 208 ? 20.524 -54.981 -35.702 0.40 43.99 ? 208 GLY A N 1 +ATOM 2365 N N B GLY A 1 208 ? 20.488 -55.005 -35.783 0.60 43.84 ? 208 GLY A N 1 +ATOM 2366 C CA A GLY A 1 208 ? 21.306 -54.558 -34.543 0.40 46.84 ? 208 GLY A CA 1 +ATOM 2367 C CA B GLY A 1 208 ? 21.290 -54.561 -34.649 0.60 46.95 ? 208 GLY A CA 1 +ATOM 2368 C C A GLY A 1 208 ? 20.462 -53.838 -33.504 0.40 49.52 ? 208 GLY A C 1 +ATOM 2369 C C B GLY A 1 208 ? 20.478 -53.818 -33.599 0.60 49.69 ? 208 GLY A C 1 +ATOM 2370 O O A GLY A 1 208 ? 20.606 -54.064 -32.297 0.40 47.78 ? 208 GLY A O 1 +ATOM 2371 O O B GLY A 1 208 ? 20.691 -53.994 -32.394 0.60 48.07 ? 208 GLY A O 1 +ATOM 2372 N N A ALA A 1 209 ? 19.560 -52.965 -33.962 0.40 44.37 ? 209 ALA A N 1 +ATOM 2373 N N B ALA A 1 209 ? 19.531 -52.984 -34.037 0.60 44.42 ? 209 ALA A N 1 +ATOM 2374 C CA A ALA A 1 209 ? 18.686 -52.249 -33.042 0.40 45.53 ? 209 ALA A CA 1 +ATOM 2375 C CA B ALA A 1 209 ? 18.693 -52.266 -33.081 0.60 45.59 ? 209 ALA A CA 1 +ATOM 2376 C C A ALA A 1 209 ? 17.717 -53.200 -32.369 0.40 41.02 ? 209 ALA A C 1 +ATOM 2377 C C B ALA A 1 209 ? 17.715 -53.205 -32.395 0.60 40.80 ? 209 ALA A C 1 +ATOM 2378 O O A ALA A 1 209 ? 17.517 -53.125 -31.151 0.40 47.73 ? 209 ALA A O 1 +ATOM 2379 O O B ALA A 1 209 ? 17.508 -53.108 -31.179 0.60 47.86 ? 209 ALA A O 1 +ATOM 2380 C CB A ALA A 1 209 ? 17.934 -51.134 -33.786 0.40 42.92 ? 209 ALA A CB 1 +ATOM 2381 C CB B ALA A 1 209 ? 17.951 -51.115 -33.773 0.60 42.86 ? 209 ALA A CB 1 +ATOM 2382 N N A LEU A 1 210 ? 17.124 -54.118 -33.145 0.40 48.26 ? 210 LEU A N 1 +ATOM 2383 N N B LEU A 1 210 ? 17.117 -54.125 -33.161 0.60 48.39 ? 210 LEU A N 1 +ATOM 2384 C CA A LEU A 1 210 ? 16.262 -55.156 -32.574 0.40 47.76 ? 210 LEU A CA 1 +ATOM 2385 C CA B LEU A 1 210 ? 16.260 -55.167 -32.590 0.60 47.84 ? 210 LEU A CA 1 +ATOM 2386 C C A LEU A 1 210 ? 16.995 -55.974 -31.506 0.40 48.45 ? 210 LEU A C 1 +ATOM 2387 C C B LEU A 1 210 ? 17.000 -55.976 -31.525 0.60 48.52 ? 210 LEU A C 1 +ATOM 2388 O O A LEU A 1 210 ? 16.478 -56.183 -30.399 0.40 46.26 ? 210 LEU A O 1 +ATOM 2389 O O B LEU A 1 210 ? 16.504 -56.151 -30.405 0.60 46.27 ? 210 LEU A O 1 +ATOM 2390 C CB A LEU A 1 210 ? 15.740 -56.079 -33.690 0.40 43.74 ? 210 LEU A CB 1 +ATOM 2391 C CB B LEU A 1 210 ? 15.745 -56.093 -33.707 0.60 43.58 ? 210 LEU A CB 1 +ATOM 2392 C CG A LEU A 1 210 ? 14.576 -57.082 -33.472 0.40 57.51 ? 210 LEU A CG 1 +ATOM 2393 C CG B LEU A 1 210 ? 14.555 -57.067 -33.517 0.60 57.84 ? 210 LEU A CG 1 +ATOM 2394 C CD1 A LEU A 1 210 ? 14.224 -57.837 -34.770 0.40 54.09 ? 210 LEU A CD1 1 +ATOM 2395 C CD1 B LEU A 1 210 ? 14.299 -57.888 -34.786 0.60 54.08 ? 210 LEU A CD1 1 +ATOM 2396 C CD2 A LEU A 1 210 ? 14.800 -58.110 -32.357 0.40 50.22 ? 210 LEU A CD2 1 +ATOM 2397 C CD2 B LEU A 1 210 ? 14.690 -58.028 -32.348 0.60 50.22 ? 210 LEU A CD2 1 +ATOM 2398 N N A PHE A 1 211 ? 18.177 -56.496 -31.833 0.40 44.37 ? 211 PHE A N 1 +ATOM 2399 N N B PHE A 1 211 ? 18.172 -56.522 -31.865 0.60 44.32 ? 211 PHE A N 1 +ATOM 2400 C CA A PHE A 1 211 ? 18.859 -57.357 -30.867 0.40 44.72 ? 211 PHE A CA 1 +ATOM 2401 C CA B PHE A 1 211 ? 18.852 -57.385 -30.902 0.60 44.67 ? 211 PHE A CA 1 +ATOM 2402 C C A PHE A 1 211 ? 19.351 -56.556 -29.666 0.40 46.46 ? 211 PHE A C 1 +ATOM 2403 C C B PHE A 1 211 ? 19.355 -56.586 -29.709 0.60 46.45 ? 211 PHE A C 1 +ATOM 2404 O O A PHE A 1 211 ? 19.372 -57.079 -28.545 0.40 51.02 ? 211 PHE A O 1 +ATOM 2405 O O B PHE A 1 211 ? 19.447 -57.122 -28.600 0.60 51.23 ? 211 PHE A O 1 +ATOM 2406 C CB A PHE A 1 211 ? 19.990 -58.123 -31.569 0.40 47.30 ? 211 PHE A CB 1 +ATOM 2407 C CB B PHE A 1 211 ? 19.988 -58.153 -31.586 0.60 47.24 ? 211 PHE A CB 1 +ATOM 2408 C CG A PHE A 1 211 ? 19.500 -59.033 -32.679 0.40 49.66 ? 211 PHE A CG 1 +ATOM 2409 C CG B PHE A 1 211 ? 19.515 -59.044 -32.697 0.60 49.63 ? 211 PHE A CG 1 +ATOM 2410 C CD1 A PHE A 1 211 ? 18.361 -59.808 -32.503 0.40 54.71 ? 211 PHE A CD1 1 +ATOM 2411 C CD1 B PHE A 1 211 ? 18.326 -59.745 -32.574 0.60 54.74 ? 211 PHE A CD1 1 +ATOM 2412 C CD2 A PHE A 1 211 ? 20.167 -59.106 -33.897 0.40 55.06 ? 211 PHE A CD2 1 +ATOM 2413 C CD2 B PHE A 1 211 ? 20.244 -59.170 -33.874 0.60 55.17 ? 211 PHE A CD2 1 +ATOM 2414 C CE1 A PHE A 1 211 ? 17.897 -60.638 -33.525 0.40 58.73 ? 211 PHE A CE1 1 +ATOM 2415 C CE1 B PHE A 1 211 ? 17.877 -60.556 -33.597 0.60 58.85 ? 211 PHE A CE1 1 +ATOM 2416 C CE2 A PHE A 1 211 ? 19.704 -59.923 -34.924 0.40 45.83 ? 211 PHE A CE2 1 +ATOM 2417 C CE2 B PHE A 1 211 ? 19.791 -59.981 -34.906 0.60 45.69 ? 211 PHE A CE2 1 +ATOM 2418 C CZ A PHE A 1 211 ? 18.570 -60.690 -34.731 0.40 50.04 ? 211 PHE A CZ 1 +ATOM 2419 C CZ B PHE A 1 211 ? 18.611 -60.665 -34.767 0.60 49.82 ? 211 PHE A CZ 1 +ATOM 2420 N N A CYS A 1 212 ? 19.679 -55.273 -29.871 0.40 46.96 ? 212 CYS A N 1 +ATOM 2421 N N B CYS A 1 212 ? 19.646 -55.300 -29.916 0.60 47.09 ? 212 CYS A N 1 +ATOM 2422 C CA A CYS A 1 212 ? 19.989 -54.375 -28.764 0.40 45.23 ? 212 CYS A CA 1 +ATOM 2423 C CA B CYS A 1 212 ? 19.965 -54.404 -28.813 0.60 45.14 ? 212 CYS A CA 1 +ATOM 2424 C C A CYS A 1 212 ? 18.830 -54.305 -27.774 0.40 46.55 ? 212 CYS A C 1 +ATOM 2425 C C B CYS A 1 212 ? 18.822 -54.352 -27.807 0.60 46.56 ? 212 CYS A C 1 +ATOM 2426 O O A CYS A 1 212 ? 19.011 -54.520 -26.572 0.40 44.64 ? 212 CYS A O 1 +ATOM 2427 O O B CYS A 1 212 ? 19.011 -54.645 -26.622 0.60 44.43 ? 212 CYS A O 1 +ATOM 2428 C CB A CYS A 1 212 ? 20.335 -52.969 -29.304 0.40 47.12 ? 212 CYS A CB 1 +ATOM 2429 C CB B CYS A 1 212 ? 20.276 -52.997 -29.350 0.60 47.28 ? 212 CYS A CB 1 +ATOM 2430 S SG A CYS A 1 212 ? 20.833 -51.792 -28.034 0.40 46.13 ? 212 CYS A SG 1 +ATOM 2431 S SG B CYS A 1 212 ? 20.859 -51.841 -28.103 0.60 45.76 ? 212 CYS A SG 1 +ATOM 2432 N N A ALA A 1 213 ? 17.626 -53.991 -28.259 0.40 48.02 ? 213 ALA A N 1 +ATOM 2433 N N B ALA A 1 213 ? 17.622 -53.974 -28.265 0.60 48.12 ? 213 ALA A N 1 +ATOM 2434 C CA A ALA A 1 213 ? 16.479 -53.917 -27.351 0.40 47.79 ? 213 ALA A CA 1 +ATOM 2435 C CA B ALA A 1 213 ? 16.471 -53.921 -27.363 0.60 47.85 ? 213 ALA A CA 1 +ATOM 2436 C C A ALA A 1 213 ? 16.143 -55.287 -26.770 0.40 51.35 ? 213 ALA A C 1 +ATOM 2437 C C B ALA A 1 213 ? 16.144 -55.306 -26.806 0.60 51.47 ? 213 ALA A C 1 +ATOM 2438 O O A ALA A 1 213 ? 15.699 -55.392 -25.619 0.40 49.65 ? 213 ALA A O 1 +ATOM 2439 O O B ALA A 1 213 ? 15.705 -55.439 -25.659 0.60 49.64 ? 213 ALA A O 1 +ATOM 2440 C CB A ALA A 1 213 ? 15.266 -53.344 -28.084 0.40 42.74 ? 213 ALA A CB 1 +ATOM 2441 C CB B ALA A 1 213 ? 15.258 -53.341 -28.091 0.60 42.67 ? 213 ALA A CB 1 +ATOM 2442 N N A MET A 1 214 ? 16.341 -56.340 -27.566 0.40 49.34 ? 214 MET A N 1 +ATOM 2443 N N B MET A 1 214 ? 16.337 -56.344 -27.620 0.60 49.33 ? 214 MET A N 1 +ATOM 2444 C CA A MET A 1 214 ? 16.098 -57.702 -27.119 0.40 54.39 ? 214 MET A CA 1 +ATOM 2445 C CA B MET A 1 214 ? 16.091 -57.710 -27.181 0.60 54.56 ? 214 MET A CA 1 +ATOM 2446 C C A MET A 1 214 ? 16.981 -58.053 -25.925 0.40 51.85 ? 214 MET A C 1 +ATOM 2447 C C B MET A 1 214 ? 16.984 -58.072 -25.999 0.60 51.87 ? 214 MET A C 1 +ATOM 2448 O O A MET A 1 214 ? 16.495 -58.403 -24.838 0.40 49.31 ? 214 MET A O 1 +ATOM 2449 O O B MET A 1 214 ? 16.503 -58.436 -24.918 0.60 49.35 ? 214 MET A O 1 +ATOM 2450 C CB A MET A 1 214 ? 16.371 -58.645 -28.297 0.40 54.09 ? 214 MET A CB 1 +ATOM 2451 C CB B MET A 1 214 ? 16.329 -58.661 -28.361 0.60 53.93 ? 214 MET A CB 1 +ATOM 2452 C CG A MET A 1 214 ? 15.556 -59.913 -28.314 0.40 75.20 ? 214 MET A CG 1 +ATOM 2453 C CG B MET A 1 214 ? 15.516 -59.923 -28.309 0.60 75.53 ? 214 MET A CG 1 +ATOM 2454 S SD A MET A 1 214 ? 13.781 -59.594 -28.464 0.40 76.17 ? 214 MET A SD 1 +ATOM 2455 S SD B MET A 1 214 ? 13.761 -59.566 -28.502 0.60 76.54 ? 214 MET A SD 1 +ATOM 2456 C CE A MET A 1 214 ? 13.237 -60.834 -27.272 0.40 67.78 ? 214 MET A CE 1 +ATOM 2457 C CE B MET A 1 214 ? 13.113 -60.864 -27.440 0.60 68.36 ? 214 MET A CE 1 +ATOM 2458 N N A HIS A 1 215 ? 18.295 -57.982 -26.129 0.40 47.01 ? 215 HIS A N 1 +ATOM 2459 N N B HIS A 1 215 ? 18.298 -57.969 -26.193 0.60 46.82 ? 215 HIS A N 1 +ATOM 2460 C CA A HIS A 1 215 ? 19.245 -58.304 -25.075 0.40 48.69 ? 215 HIS A CA 1 +ATOM 2461 C CA B HIS A 1 215 ? 19.239 -58.310 -25.133 0.60 48.66 ? 215 HIS A CA 1 +ATOM 2462 C C A HIS A 1 215 ? 19.018 -57.431 -23.850 0.40 54.85 ? 215 HIS A C 1 +ATOM 2463 C C B HIS A 1 215 ? 18.988 -57.475 -23.885 0.60 55.05 ? 215 HIS A C 1 +ATOM 2464 O O A HIS A 1 215 ? 19.054 -57.912 -22.711 0.40 51.25 ? 215 HIS A O 1 +ATOM 2465 O O B HIS A 1 215 ? 18.967 -58.002 -22.764 0.60 51.52 ? 215 HIS A O 1 +ATOM 2466 C CB A HIS A 1 215 ? 20.664 -58.126 -25.605 0.40 48.63 ? 215 HIS A CB 1 +ATOM 2467 C CB B HIS A 1 215 ? 20.666 -58.117 -25.641 0.60 48.60 ? 215 HIS A CB 1 +ATOM 2468 C CG A HIS A 1 215 ? 21.717 -58.524 -24.629 0.40 52.32 ? 215 HIS A CG 1 +ATOM 2469 C CG B HIS A 1 215 ? 21.714 -58.521 -24.655 0.60 52.41 ? 215 HIS A CG 1 +ATOM 2470 N ND1 A HIS A 1 215 ? 21.724 -59.759 -24.020 0.40 48.42 ? 215 HIS A ND1 1 +ATOM 2471 N ND1 B HIS A 1 215 ? 21.736 -59.765 -24.062 0.60 48.22 ? 215 HIS A ND1 1 +ATOM 2472 C CD2 A HIS A 1 215 ? 22.793 -57.857 -24.148 0.40 48.17 ? 215 HIS A CD2 1 +ATOM 2473 C CD2 B HIS A 1 215 ? 22.784 -57.850 -24.162 0.60 48.10 ? 215 HIS A CD2 1 +ATOM 2474 C CE1 A HIS A 1 215 ? 22.757 -59.837 -23.201 0.40 51.91 ? 215 HIS A CE1 1 +ATOM 2475 C CE1 B HIS A 1 215 ? 22.766 -59.840 -23.239 0.60 51.88 ? 215 HIS A CE1 1 +ATOM 2476 N NE2 A HIS A 1 215 ? 23.428 -58.702 -23.266 0.40 55.35 ? 215 HIS A NE2 1 +ATOM 2477 N NE2 B HIS A 1 215 ? 23.423 -58.696 -23.286 0.60 55.62 ? 215 HIS A NE2 1 +ATOM 2478 N N A GLY A 1 216 ? 18.756 -56.144 -24.072 0.40 49.29 ? 216 GLY A N 1 +ATOM 2479 N N B GLY A 1 216 ? 18.761 -56.172 -24.063 0.60 49.31 ? 216 GLY A N 1 +ATOM 2480 C CA A GLY A 1 216 ? 18.532 -55.250 -22.955 0.40 48.95 ? 216 GLY A CA 1 +ATOM 2481 C CA B GLY A 1 216 ? 18.544 -55.309 -22.919 0.60 48.96 ? 216 GLY A CA 1 +ATOM 2482 C C A GLY A 1 216 ? 17.300 -55.628 -22.164 0.40 49.35 ? 216 GLY A C 1 +ATOM 2483 C C B GLY A 1 216 ? 17.270 -55.637 -22.166 0.60 49.33 ? 216 GLY A C 1 +ATOM 2484 O O A GLY A 1 216 ? 17.324 -55.630 -20.933 0.40 48.26 ? 216 GLY A O 1 +ATOM 2485 O O B GLY A 1 216 ? 17.242 -55.588 -20.937 0.60 48.09 ? 216 GLY A O 1 +ATOM 2486 N N A SER A 1 217 ? 16.219 -55.983 -22.861 0.40 52.17 ? 217 SER A N 1 +ATOM 2487 N N B SER A 1 217 ? 16.196 -55.963 -22.890 0.60 52.24 ? 217 SER A N 1 +ATOM 2488 C CA A SER A 1 217 ? 14.977 -56.319 -22.172 0.40 54.84 ? 217 SER A CA 1 +ATOM 2489 C CA B SER A 1 217 ? 14.936 -56.282 -22.225 0.60 54.99 ? 217 SER A CA 1 +ATOM 2490 C C A SER A 1 217 ? 15.076 -57.673 -21.471 0.40 51.96 ? 217 SER A C 1 +ATOM 2491 C C B SER A 1 217 ? 15.016 -57.625 -21.500 0.60 51.95 ? 217 SER A C 1 +ATOM 2492 O O A SER A 1 217 ? 14.517 -57.853 -20.383 0.40 50.74 ? 217 SER A O 1 +ATOM 2493 O O B SER A 1 217 ? 14.473 -57.774 -20.401 0.60 50.68 ? 217 SER A O 1 +ATOM 2494 C CB A SER A 1 217 ? 13.800 -56.292 -23.161 0.40 50.98 ? 217 SER A CB 1 +ATOM 2495 C CB B SER A 1 217 ? 13.780 -56.277 -23.237 0.60 50.77 ? 217 SER A CB 1 +ATOM 2496 O OG A SER A 1 217 ? 13.927 -57.263 -24.188 0.40 55.26 ? 217 SER A OG 1 +ATOM 2497 O OG B SER A 1 217 ? 13.971 -57.231 -24.271 0.60 55.31 ? 217 SER A OG 1 +ATOM 2498 N N A LEU A 1 218 ? 15.798 -58.633 -22.056 0.40 52.17 ? 218 LEU A N 1 +ATOM 2499 N N B LEU A 1 218 ? 15.698 -58.608 -22.091 0.60 51.97 ? 218 LEU A N 1 +ATOM 2500 C CA A LEU A 1 218 ? 15.874 -59.955 -21.429 0.40 56.35 ? 218 LEU A CA 1 +ATOM 2501 C CA B LEU A 1 218 ? 15.765 -59.929 -21.465 0.60 56.46 ? 218 LEU A CA 1 +ATOM 2502 C C A LEU A 1 218 ? 16.710 -59.910 -20.153 0.40 56.12 ? 218 LEU A C 1 +ATOM 2503 C C B LEU A 1 218 ? 16.590 -59.891 -20.182 0.60 56.28 ? 218 LEU A C 1 +ATOM 2504 O O A LEU A 1 218 ? 16.287 -60.417 -19.108 0.40 54.37 ? 218 LEU A O 1 +ATOM 2505 O O B LEU A 1 218 ? 16.155 -60.399 -19.141 0.60 54.40 ? 218 LEU A O 1 +ATOM 2506 C CB A LEU A 1 218 ? 16.421 -60.979 -22.420 0.40 52.67 ? 218 LEU A CB 1 +ATOM 2507 C CB B LEU A 1 218 ? 16.324 -60.959 -22.451 0.60 52.54 ? 218 LEU A CB 1 +ATOM 2508 C CG A LEU A 1 218 ? 15.384 -61.310 -23.503 0.40 57.10 ? 218 LEU A CG 1 +ATOM 2509 C CG B LEU A 1 218 ? 15.317 -61.299 -23.550 0.60 57.11 ? 218 LEU A CG 1 +ATOM 2510 C CD1 A LEU A 1 218 ? 15.921 -62.255 -24.562 0.40 63.01 ? 218 LEU A CD1 1 +ATOM 2511 C CD1 B LEU A 1 218 ? 15.876 -62.288 -24.556 0.60 62.93 ? 218 LEU A CD1 1 +ATOM 2512 C CD2 A LEU A 1 218 ? 14.132 -61.888 -22.875 0.40 56.28 ? 218 LEU A CD2 1 +ATOM 2513 C CD2 B LEU A 1 218 ? 14.033 -61.822 -22.942 0.60 56.28 ? 218 LEU A CD2 1 +ATOM 2514 N N A VAL A 1 219 ? 17.890 -59.284 -20.211 0.40 53.55 ? 219 VAL A N 1 +ATOM 2515 N N B VAL A 1 219 ? 17.775 -59.270 -20.230 0.60 53.65 ? 219 VAL A N 1 +ATOM 2516 C CA A VAL A 1 219 ? 18.705 -59.121 -19.009 0.40 53.45 ? 219 VAL A CA 1 +ATOM 2517 C CA B VAL A 1 219 ? 18.602 -59.158 -19.031 0.60 53.45 ? 219 VAL A CA 1 +ATOM 2518 C C A VAL A 1 219 ? 17.966 -58.290 -17.966 0.40 54.06 ? 219 VAL A C 1 +ATOM 2519 C C B VAL A 1 219 ? 17.897 -58.322 -17.971 0.60 54.05 ? 219 VAL A C 1 +ATOM 2520 O O A VAL A 1 219 ? 17.989 -58.603 -16.770 0.40 52.14 ? 219 VAL A O 1 +ATOM 2521 O O B VAL A 1 219 ? 17.890 -58.671 -16.785 0.60 52.24 ? 219 VAL A O 1 +ATOM 2522 C CB A VAL A 1 219 ? 20.066 -58.498 -19.368 0.40 52.89 ? 219 VAL A CB 1 +ATOM 2523 C CB B VAL A 1 219 ? 19.981 -58.573 -19.386 0.60 52.92 ? 219 VAL A CB 1 +ATOM 2524 C CG1 A VAL A 1 219 ? 20.827 -58.117 -18.092 0.40 45.38 ? 219 VAL A CG1 1 +ATOM 2525 C CG1 B VAL A 1 219 ? 20.764 -58.230 -18.102 0.60 45.24 ? 219 VAL A CG1 1 +ATOM 2526 C CG2 A VAL A 1 219 ? 20.872 -59.475 -20.231 0.40 49.97 ? 219 VAL A CG2 1 +ATOM 2527 C CG2 B VAL A 1 219 ? 20.748 -59.538 -20.268 0.60 49.55 ? 219 VAL A CG2 1 +ATOM 2528 N N A THR A 1 220 ? 17.304 -57.219 -18.396 0.40 53.91 ? 220 THR A N 1 +ATOM 2529 N N B THR A 1 220 ? 17.301 -57.202 -18.378 0.60 53.97 ? 220 THR A N 1 +ATOM 2530 C CA A THR A 1 220 ? 16.567 -56.397 -17.444 0.40 52.34 ? 220 THR A CA 1 +ATOM 2531 C CA B THR A 1 220 ? 16.561 -56.385 -17.428 0.60 52.30 ? 220 THR A CA 1 +ATOM 2532 C C A THR A 1 220 ? 15.399 -57.172 -16.843 0.40 55.59 ? 220 THR A C 1 +ATOM 2533 C C B THR A 1 220 ? 15.386 -57.156 -16.843 0.60 55.69 ? 220 THR A C 1 +ATOM 2534 O O A THR A 1 220 ? 15.091 -57.001 -15.659 0.40 51.93 ? 220 THR A O 1 +ATOM 2535 O O B THR A 1 220 ? 15.051 -56.985 -15.664 0.60 51.87 ? 220 THR A O 1 +ATOM 2536 C CB A THR A 1 220 ? 16.101 -55.101 -18.124 0.40 53.70 ? 220 THR A CB 1 +ATOM 2537 C CB B THR A 1 220 ? 16.092 -55.088 -18.102 0.60 53.74 ? 220 THR A CB 1 +ATOM 2538 O OG1 A THR A 1 220 ? 17.251 -54.321 -18.477 0.40 52.70 ? 220 THR A OG1 1 +ATOM 2539 O OG1 B THR A 1 220 ? 17.239 -54.351 -18.544 0.60 52.80 ? 220 THR A OG1 1 +ATOM 2540 C CG2 A THR A 1 220 ? 15.226 -54.266 -17.208 0.40 51.40 ? 220 THR A CG2 1 +ATOM 2541 C CG2 B THR A 1 220 ? 15.289 -54.225 -17.149 0.60 51.29 ? 220 THR A CG2 1 +ATOM 2542 N N A SER A 1 221 ? 14.760 -58.045 -17.630 0.40 50.65 ? 221 SER A N 1 +ATOM 2543 N N B SER A 1 221 ? 14.772 -58.034 -17.637 0.60 50.53 ? 221 SER A N 1 +ATOM 2544 C CA A SER A 1 221 ? 13.630 -58.811 -17.118 0.40 53.50 ? 221 SER A CA 1 +ATOM 2545 C CA B SER A 1 221 ? 13.620 -58.779 -17.150 0.60 53.39 ? 221 SER A CA 1 +ATOM 2546 C C A SER A 1 221 ? 14.040 -59.832 -16.065 0.40 58.28 ? 221 SER A C 1 +ATOM 2547 C C B SER A 1 221 ? 13.993 -59.812 -16.098 0.60 58.47 ? 221 SER A C 1 +ATOM 2548 O O A SER A 1 221 ? 13.185 -60.263 -15.285 0.40 53.91 ? 221 SER A O 1 +ATOM 2549 O O B SER A 1 221 ? 13.113 -60.253 -15.352 0.60 53.87 ? 221 SER A O 1 +ATOM 2550 C CB A SER A 1 221 ? 12.912 -59.544 -18.253 0.40 56.38 ? 221 SER A CB 1 +ATOM 2551 C CB B SER A 1 221 ? 12.906 -59.473 -18.309 0.60 56.64 ? 221 SER A CB 1 +ATOM 2552 O OG A SER A 1 221 ? 12.289 -58.618 -19.145 0.40 60.77 ? 221 SER A OG 1 +ATOM 2553 O OG B SER A 1 221 ? 12.260 -58.508 -19.132 0.60 60.86 ? 221 SER A OG 1 +ATOM 2554 N N A SER A 1 222 ? 15.314 -60.239 -16.032 0.40 49.75 ? 222 SER A N 1 +ATOM 2555 N N B SER A 1 222 ? 15.266 -60.207 -16.019 0.60 49.59 ? 222 SER A N 1 +ATOM 2556 C CA A SER A 1 222 ? 15.752 -61.321 -15.156 0.40 60.14 ? 222 SER A CA 1 +ATOM 2557 C CA B SER A 1 222 ? 15.682 -61.280 -15.123 0.60 60.24 ? 222 SER A CA 1 +ATOM 2558 C C A SER A 1 222 ? 16.786 -60.862 -14.127 0.40 59.83 ? 222 SER A C 1 +ATOM 2559 C C B SER A 1 222 ? 16.721 -60.816 -14.106 0.60 59.95 ? 222 SER A C 1 +ATOM 2560 O O A SER A 1 222 ? 17.537 -61.693 -13.590 0.40 55.71 ? 222 SER A O 1 +ATOM 2561 O O B SER A 1 222 ? 17.485 -61.633 -13.583 0.60 55.69 ? 222 SER A O 1 +ATOM 2562 C CB A SER A 1 222 ? 16.269 -62.510 -15.984 0.40 57.52 ? 222 SER A CB 1 +ATOM 2563 C CB B SER A 1 222 ? 16.186 -62.489 -15.928 0.60 57.59 ? 222 SER A CB 1 +ATOM 2564 O OG A SER A 1 222 ? 17.263 -62.142 -16.927 0.40 60.60 ? 222 SER A OG 1 +ATOM 2565 O OG B SER A 1 222 ? 17.125 -62.129 -16.923 0.60 60.65 ? 222 SER A OG 1 +ATOM 2566 N N A LEU A 1 223 ? 16.817 -59.563 -13.814 0.40 60.24 ? 223 LEU A N 1 +ATOM 2567 N N B LEU A 1 223 ? 16.752 -59.518 -13.806 0.60 60.40 ? 223 LEU A N 1 +ATOM 2568 C CA A LEU A 1 223 ? 17.652 -59.074 -12.723 0.40 56.26 ? 223 LEU A CA 1 +ATOM 2569 C CA B LEU A 1 223 ? 17.591 -59.021 -12.723 0.60 56.31 ? 223 LEU A CA 1 +ATOM 2570 C C A LEU A 1 223 ? 17.233 -59.736 -11.419 0.40 62.43 ? 223 LEU A C 1 +ATOM 2571 C C B LEU A 1 223 ? 17.179 -59.678 -11.415 0.60 62.57 ? 223 LEU A C 1 +ATOM 2572 O O A LEU A 1 223 ? 16.042 -59.880 -11.128 0.40 57.74 ? 223 LEU A O 1 +ATOM 2573 O O B LEU A 1 223 ? 15.991 -59.865 -11.142 0.60 57.72 ? 223 LEU A O 1 +ATOM 2574 C CB A LEU A 1 223 ? 17.546 -57.548 -12.581 0.40 48.70 ? 223 LEU A CB 1 +ATOM 2575 C CB B LEU A 1 223 ? 17.481 -57.496 -12.603 0.60 48.52 ? 223 LEU A CB 1 +ATOM 2576 C CG A LEU A 1 223 ? 18.000 -56.688 -13.769 0.40 48.97 ? 223 LEU A CG 1 +ATOM 2577 C CG B LEU A 1 223 ? 17.970 -56.646 -13.777 0.60 48.84 ? 223 LEU A CG 1 +ATOM 2578 C CD1 A LEU A 1 223 ? 17.972 -55.218 -13.398 0.40 48.35 ? 223 LEU A CD1 1 +ATOM 2579 C CD1 B LEU A 1 223 ? 17.989 -55.171 -13.392 0.60 48.23 ? 223 LEU A CD1 1 +ATOM 2580 C CD2 A LEU A 1 223 ? 19.404 -57.110 -14.195 0.40 49.08 ? 223 LEU A CD2 1 +ATOM 2581 C CD2 B LEU A 1 223 ? 19.348 -57.107 -14.223 0.60 48.99 ? 223 LEU A CD2 1 +ATOM 2582 N N A ILE A 1 224 ? 18.216 -60.124 -10.622 0.40 56.94 ? 224 ILE A N 1 +ATOM 2583 N N B ILE A 1 224 ? 18.166 -60.039 -10.607 0.60 56.98 ? 224 ILE A N 1 +ATOM 2584 C CA A ILE A 1 224 ? 17.926 -60.751 -9.339 0.40 60.73 ? 224 ILE A CA 1 +ATOM 2585 C CA B ILE A 1 224 ? 17.879 -60.691 -9.339 0.60 60.64 ? 224 ILE A CA 1 +ATOM 2586 C C A ILE A 1 224 ? 17.570 -59.674 -8.318 0.40 61.91 ? 224 ILE A C 1 +ATOM 2587 C C B ILE A 1 224 ? 17.508 -59.634 -8.305 0.60 61.97 ? 224 ILE A C 1 +ATOM 2588 O O A ILE A 1 224 ? 18.285 -58.674 -8.165 0.40 55.63 ? 224 ILE A O 1 +ATOM 2589 O O B ILE A 1 224 ? 18.213 -58.629 -8.135 0.60 55.42 ? 224 ILE A O 1 +ATOM 2590 C CB A ILE A 1 224 ? 19.109 -61.624 -8.892 0.40 63.38 ? 224 ILE A CB 1 +ATOM 2591 C CB B ILE A 1 224 ? 19.068 -61.555 -8.889 0.60 63.38 ? 224 ILE A CB 1 +ATOM 2592 C CG1 A ILE A 1 224 ? 19.195 -62.842 -9.832 0.40 66.01 ? 224 ILE A CG1 1 +ATOM 2593 C CG1 B ILE A 1 224 ? 19.124 -62.820 -9.760 0.60 66.14 ? 224 ILE A CG1 1 +ATOM 2594 C CG2 A ILE A 1 224 ? 18.926 -62.084 -7.434 0.40 57.81 ? 224 ILE A CG2 1 +ATOM 2595 C CG2 B ILE A 1 224 ? 18.913 -61.947 -7.415 0.60 57.63 ? 224 ILE A CG2 1 +ATOM 2596 C CD1 A ILE A 1 224 ? 20.585 -63.405 -10.057 0.40 61.95 ? 224 ILE A CD1 1 +ATOM 2597 C CD1 B ILE A 1 224 ? 20.516 -63.356 -10.032 0.60 62.04 ? 224 ILE A CD1 1 +ATOM 2598 N N A ARG A 1 225 ? 16.434 -59.860 -7.641 0.40 60.41 ? 225 ARG A N 1 +ATOM 2599 N N B ARG A 1 225 ? 16.373 -59.843 -7.635 0.60 60.32 ? 225 ARG A N 1 +ATOM 2600 C CA A ARG A 1 225 ? 15.967 -58.923 -6.626 0.40 61.03 ? 225 ARG A CA 1 +ATOM 2601 C CA B ARG A 1 225 ? 15.909 -58.919 -6.611 0.60 61.04 ? 225 ARG A CA 1 +ATOM 2602 C C A ARG A 1 225 ? 17.021 -58.672 -5.552 0.40 67.00 ? 225 ARG A C 1 +ATOM 2603 C C B ARG A 1 225 ? 16.985 -58.693 -5.559 0.60 67.13 ? 225 ARG A C 1 +ATOM 2604 O O A ARG A 1 225 ? 17.340 -59.565 -4.760 0.40 63.79 ? 225 ARG A O 1 +ATOM 2605 O O B ARG A 1 225 ? 17.342 -59.619 -4.824 0.60 63.64 ? 225 ARG A O 1 +ATOM 2606 C CB A ARG A 1 225 ? 14.684 -59.440 -5.970 0.40 61.71 ? 225 ARG A CB 1 +ATOM 2607 C CB B ARG A 1 225 ? 14.633 -59.433 -5.948 0.60 61.56 ? 225 ARG A CB 1 +ATOM 2608 C CG A ARG A 1 225 ? 14.125 -58.478 -4.928 0.40 68.37 ? 225 ARG A CG 1 +ATOM 2609 C CG B ARG A 1 225 ? 14.092 -58.467 -4.915 0.60 68.43 ? 225 ARG A CG 1 +ATOM 2610 C CD A ARG A 1 225 ? 12.637 -58.695 -4.708 0.40 73.13 ? 225 ARG A CD 1 +ATOM 2611 C CD B ARG A 1 225 ? 12.606 -58.659 -4.674 0.60 73.19 ? 225 ARG A CD 1 +ATOM 2612 N NE A ARG A 1 225 ? 12.360 -60.020 -4.169 0.40 82.54 ? 225 ARG A NE 1 +ATOM 2613 N NE B ARG A 1 225 ? 12.310 -59.971 -4.116 0.60 82.61 ? 225 ARG A NE 1 +ATOM 2614 C CZ A ARG A 1 225 ? 11.768 -60.995 -4.844 0.40 91.22 ? 225 ARG A CZ 1 +ATOM 2615 C CZ B ARG A 1 225 ? 11.665 -60.932 -4.761 0.60 91.67 ? 225 ARG A CZ 1 +ATOM 2616 N NH1 A ARG A 1 225 ? 11.332 -60.815 -6.082 0.40 76.66 ? 225 ARG A NH1 1 +ATOM 2617 N NH1 B ARG A 1 225 ? 11.201 -60.750 -5.989 0.60 77.16 ? 225 ARG A NH1 1 +ATOM 2618 N NH2 A ARG A 1 225 ? 11.614 -62.185 -4.264 0.40 89.83 ? 225 ARG A NH2 1 +ATOM 2619 N NH2 B ARG A 1 225 ? 11.481 -62.106 -4.159 0.60 90.22 ? 225 ARG A NH2 1 +ATOM 2620 N N A GLU A 1 226 ? 17.570 -57.457 -5.534 0.40 62.35 ? 226 GLU A N 1 +ATOM 2621 N N B GLU A 1 226 ? 17.517 -57.468 -5.511 0.60 62.33 ? 226 GLU A N 1 +ATOM 2622 C CA A GLU A 1 226 ? 18.581 -57.047 -4.569 0.40 59.38 ? 226 GLU A CA 1 +ATOM 2623 C CA B GLU A 1 226 ? 18.538 -57.072 -4.554 0.60 59.20 ? 226 GLU A CA 1 +ATOM 2624 C C A GLU A 1 226 ? 18.251 -55.707 -3.931 0.40 61.45 ? 226 GLU A C 1 +ATOM 2625 C C B GLU A 1 226 ? 18.240 -55.731 -3.912 0.60 61.44 ? 226 GLU A C 1 +ATOM 2626 O O A GLU A 1 226 ? 19.096 -55.156 -3.218 0.40 63.60 ? 226 GLU A O 1 +ATOM 2627 O O B GLU A 1 226 ? 19.097 -55.213 -3.191 0.60 63.62 ? 226 GLU A O 1 +ATOM 2628 C CB A GLU A 1 226 ? 19.961 -56.939 -5.232 0.40 64.86 ? 226 GLU A CB 1 +ATOM 2629 C CB B GLU A 1 226 ? 19.916 -56.971 -5.233 0.60 64.92 ? 226 GLU A CB 1 +ATOM 2630 C CG A GLU A 1 226 ? 20.497 -58.216 -5.798 0.40 70.11 ? 226 GLU A CG 1 +ATOM 2631 C CG B GLU A 1 226 ? 20.456 -58.263 -5.763 0.60 70.25 ? 226 GLU A CG 1 +ATOM 2632 C CD A GLU A 1 226 ? 21.277 -59.012 -4.771 0.40 79.09 ? 226 GLU A CD 1 +ATOM 2633 C CD B GLU A 1 226 ? 21.307 -58.982 -4.745 0.60 79.24 ? 226 GLU A CD 1 +ATOM 2634 O OE1 A GLU A 1 226 ? 21.129 -58.741 -3.558 0.40 77.12 ? 226 GLU A OE1 1 +ATOM 2635 O OE1 B GLU A 1 226 ? 21.145 -58.719 -3.535 0.60 77.18 ? 226 GLU A OE1 1 +ATOM 2636 O OE2 A GLU A 1 226 ? 22.055 -59.893 -5.188 0.40 88.08 ? 226 GLU A OE2 1 +ATOM 2637 O OE2 B GLU A 1 226 ? 22.152 -59.798 -5.163 0.60 88.52 ? 226 GLU A OE2 1 +ATOM 2638 N N A THR A 1 227 ? 17.068 -55.154 -4.192 0.40 60.21 ? 227 THR A N 1 +ATOM 2639 N N B THR A 1 227 ? 17.077 -55.143 -4.176 0.60 60.20 ? 227 THR A N 1 +ATOM 2640 C CA A THR A 1 227 ? 16.740 -53.786 -3.815 0.40 61.02 ? 227 THR A CA 1 +ATOM 2641 C CA B THR A 1 227 ? 16.759 -53.789 -3.758 0.60 60.92 ? 227 THR A CA 1 +ATOM 2642 C C A THR A 1 227 ? 15.279 -53.732 -3.399 0.40 61.33 ? 227 THR A C 1 +ATOM 2643 C C B THR A 1 227 ? 15.294 -53.742 -3.361 0.60 61.28 ? 227 THR A C 1 +ATOM 2644 O O A THR A 1 227 ? 14.491 -54.612 -3.742 0.40 60.66 ? 227 THR A O 1 +ATOM 2645 O O B THR A 1 227 ? 14.518 -54.642 -3.676 0.60 60.66 ? 227 THR A O 1 +ATOM 2646 C CB A THR A 1 227 ? 16.989 -52.790 -4.986 0.40 62.10 ? 227 THR A CB 1 +ATOM 2647 C CB B THR A 1 227 ? 17.024 -52.754 -4.882 0.60 62.14 ? 227 THR A CB 1 +ATOM 2648 O OG1 A THR A 1 227 ? 16.429 -53.315 -6.201 0.40 57.08 ? 227 THR A OG1 1 +ATOM 2649 O OG1 B THR A 1 227 ? 16.462 -53.222 -6.115 0.60 57.25 ? 227 THR A OG1 1 +ATOM 2650 C CG2 A THR A 1 227 ? 18.480 -52.525 -5.210 0.40 60.00 ? 227 THR A CG2 1 +ATOM 2651 C CG2 B THR A 1 227 ? 18.520 -52.491 -5.072 0.60 59.94 ? 227 THR A CG2 1 +ATOM 2652 N N . THR A 1 228 ? 14.925 -52.672 -2.673 1.00 64.49 ? 228 THR A N 1 +ATOM 2653 C CA . THR A 1 228 ? 13.532 -52.385 -2.365 1.00 70.50 ? 228 THR A CA 1 +ATOM 2654 C C . THR A 1 228 ? 12.918 -51.531 -3.474 1.00 75.86 ? 228 THR A C 1 +ATOM 2655 O O . THR A 1 228 ? 13.615 -50.996 -4.339 1.00 68.44 ? 228 THR A O 1 +ATOM 2656 C CB . THR A 1 228 ? 13.415 -51.661 -1.032 1.00 71.20 ? 228 THR A CB 1 +ATOM 2657 O OG1 . THR A 1 228 ? 13.799 -50.291 -1.215 1.00 79.81 ? 228 THR A OG1 1 +ATOM 2658 C CG2 . THR A 1 228 ? 14.336 -52.291 -0.026 1.00 73.69 ? 228 THR A CG2 1 +ATOM 2659 N N . GLU A 1 229 ? 11.592 -51.376 -3.422 1.00 74.17 ? 229 GLU A N 1 +ATOM 2660 C CA . GLU A 1 229 ? 10.890 -50.700 -4.508 1.00 76.00 ? 229 GLU A CA 1 +ATOM 2661 C C . GLU A 1 229 ? 11.136 -49.199 -4.523 1.00 80.85 ? 229 GLU A C 1 +ATOM 2662 O O . GLU A 1 229 ? 10.928 -48.560 -5.564 1.00 85.97 ? 229 GLU A O 1 +ATOM 2663 C CB . GLU A 1 229 ? 9.386 -50.972 -4.432 1.00 78.31 ? 229 GLU A CB 1 +ATOM 2664 C CG . GLU A 1 229 ? 8.636 -50.116 -3.424 1.00 89.56 ? 229 GLU A CG 1 +ATOM 2665 C CD . GLU A 1 229 ? 7.153 -50.460 -3.351 1.00 120.82 ? 229 GLU A CD 1 +ATOM 2666 O OE1 . GLU A 1 229 ? 6.582 -50.879 -4.385 1.00 132.71 ? 229 GLU A OE1 1 +ATOM 2667 O OE2 . GLU A 1 229 ? 6.561 -50.318 -2.257 1.00 147.32 ? 229 GLU A OE2 1 +ATOM 2668 N N . THR A 1 230 ? 11.566 -48.617 -3.406 1.00 74.49 ? 230 THR A N 1 +ATOM 2669 C CA . THR A 1 230 ? 11.855 -47.189 -3.394 1.00 89.89 ? 230 THR A CA 1 +ATOM 2670 C C . THR A 1 230 ? 13.235 -46.850 -3.943 1.00 71.70 ? 230 THR A C 1 +ATOM 2671 O O . THR A 1 230 ? 13.588 -45.670 -3.982 1.00 89.90 ? 230 THR A O 1 +ATOM 2672 C CB . THR A 1 230 ? 11.730 -46.616 -1.978 1.00 73.51 ? 230 THR A CB 1 +ATOM 2673 O OG1 . THR A 1 230 ? 12.640 -47.298 -1.115 1.00 80.99 ? 230 THR A OG1 1 +ATOM 2674 C CG2 . THR A 1 230 ? 10.316 -46.781 -1.451 1.00 68.71 ? 230 THR A CG2 1 +ATOM 2675 N N . GLU A 1 231 ? 14.035 -47.824 -4.357 1.00 73.31 ? 231 GLU A N 1 +ATOM 2676 C CA . GLU A 1 231 ? 15.353 -47.501 -4.874 1.00 78.05 ? 231 GLU A CA 1 +ATOM 2677 C C . GLU A 1 231 ? 15.525 -48.055 -6.280 1.00 67.89 ? 231 GLU A C 1 +ATOM 2678 O O . GLU A 1 231 ? 14.848 -49.006 -6.695 1.00 55.88 ? 231 GLU A O 1 +ATOM 2679 C CB . GLU A 1 231 ? 16.476 -48.009 -3.955 1.00 65.80 ? 231 GLU A CB 1 +ATOM 2680 C CG . GLU A 1 231 ? 16.351 -49.435 -3.513 1.00 94.76 ? 231 GLU A CG 1 +ATOM 2681 C CD . GLU A 1 231 ? 17.435 -49.834 -2.508 1.00 98.18 ? 231 GLU A CD 1 +ATOM 2682 O OE1 . GLU A 1 231 ? 18.249 -48.958 -2.125 1.00 103.43 ? 231 GLU A OE1 1 +ATOM 2683 O OE2 . GLU A 1 231 ? 17.471 -51.020 -2.109 1.00 78.68 ? 231 GLU A OE2 1 +ATOM 2684 N N A SER A 1 232 ? 16.455 -47.447 -7.015 0.40 53.46 ? 232 SER A N 1 +ATOM 2685 N N B SER A 1 232 ? 16.424 -47.417 -7.022 0.60 53.27 ? 232 SER A N 1 +ATOM 2686 C CA A SER A 1 232 ? 16.782 -47.936 -8.342 0.40 61.07 ? 232 SER A CA 1 +ATOM 2687 C CA B SER A 1 232 ? 16.773 -47.925 -8.340 0.60 61.15 ? 232 SER A CA 1 +ATOM 2688 C C A SER A 1 232 ? 17.314 -49.364 -8.247 0.40 62.50 ? 232 SER A C 1 +ATOM 2689 C C B SER A 1 232 ? 17.321 -49.344 -8.221 0.60 62.66 ? 232 SER A C 1 +ATOM 2690 O O A SER A 1 232 ? 18.142 -49.676 -7.384 0.40 57.09 ? 232 SER A O 1 +ATOM 2691 O O B SER A 1 232 ? 18.181 -49.624 -7.376 0.60 57.01 ? 232 SER A O 1 +ATOM 2692 C CB A SER A 1 232 ? 17.813 -47.028 -9.014 0.40 50.11 ? 232 SER A CB 1 +ATOM 2693 C CB B SER A 1 232 ? 17.800 -47.015 -9.013 0.60 49.92 ? 232 SER A CB 1 +ATOM 2694 O OG A SER A 1 232 ? 18.220 -47.608 -10.248 0.40 55.45 ? 232 SER A OG 1 +ATOM 2695 O OG B SER A 1 232 ? 18.336 -47.646 -10.163 0.60 55.67 ? 232 SER A OG 1 +ATOM 2696 N N A ALA A 1 233 ? 16.825 -50.237 -9.132 0.40 53.68 ? 233 ALA A N 1 +ATOM 2697 N N B ALA A 1 233 ? 16.816 -50.239 -9.075 0.60 53.59 ? 233 ALA A N 1 +ATOM 2698 C CA A ALA A 1 233 ? 17.392 -51.579 -9.210 0.40 57.81 ? 233 ALA A CA 1 +ATOM 2699 C CA B ALA A 1 233 ? 17.379 -51.580 -9.165 0.60 57.84 ? 233 ALA A CA 1 +ATOM 2700 C C A ALA A 1 233 ? 18.862 -51.557 -9.619 0.40 59.63 ? 233 ALA A C 1 +ATOM 2701 C C B ALA A 1 233 ? 18.843 -51.568 -9.594 0.60 59.76 ? 233 ALA A C 1 +ATOM 2702 O O A ALA A 1 233 ? 19.552 -52.566 -9.452 0.40 55.23 ? 233 ALA A O 1 +ATOM 2703 O O B ALA A 1 233 ? 19.528 -52.582 -9.429 0.60 55.24 ? 233 ALA A O 1 +ATOM 2704 C CB A ALA A 1 233 ? 16.587 -52.436 -10.183 0.40 52.58 ? 233 ALA A CB 1 +ATOM 2705 C CB B ALA A 1 233 ? 16.561 -52.431 -10.137 0.60 52.48 ? 233 ALA A CB 1 +ATOM 2706 N N A ASN A 1 234 ? 19.362 -50.430 -10.141 0.40 52.86 ? 234 ASN A N 1 +ATOM 2707 N N B ASN A 1 234 ? 19.342 -50.448 -10.136 0.60 52.86 ? 234 ASN A N 1 +ATOM 2708 C CA A ASN A 1 234 ? 20.758 -50.376 -10.558 0.40 54.69 ? 234 ASN A CA 1 +ATOM 2709 C CA B ASN A 1 234 ? 20.743 -50.397 -10.534 0.60 54.74 ? 234 ASN A CA 1 +ATOM 2710 C C A ASN A 1 234 ? 21.703 -50.460 -9.366 0.40 54.78 ? 234 ASN A C 1 +ATOM 2711 C C B ASN A 1 234 ? 21.680 -50.451 -9.331 0.60 54.68 ? 234 ASN A C 1 +ATOM 2712 O O A ASN A 1 234 ? 22.845 -50.903 -9.519 0.40 57.34 ? 234 ASN A O 1 +ATOM 2713 O O B ASN A 1 234 ? 22.837 -50.854 -9.478 0.60 57.32 ? 234 ASN A O 1 +ATOM 2714 C CB A ASN A 1 234 ? 21.019 -49.105 -11.374 0.40 50.91 ? 234 ASN A CB 1 +ATOM 2715 C CB B ASN A 1 234 ? 21.022 -49.140 -11.374 0.60 50.84 ? 234 ASN A CB 1 +ATOM 2716 C CG A ASN A 1 234 ? 20.275 -49.111 -12.717 0.40 58.70 ? 234 ASN A CG 1 +ATOM 2717 C CG B ASN A 1 234 ? 20.245 -49.121 -12.693 0.60 58.94 ? 234 ASN A CG 1 +ATOM 2718 O OD1 A ASN A 1 234 ? 19.947 -50.167 -13.247 0.40 54.71 ? 234 ASN A OD1 1 +ATOM 2719 O OD1 B ASN A 1 234 ? 19.839 -50.161 -13.214 0.60 54.67 ? 234 ASN A OD1 1 +ATOM 2720 N ND2 A ASN A 1 234 ? 19.993 -47.933 -13.249 0.40 53.24 ? 234 ASN A ND2 1 +ATOM 2721 N ND2 B ASN A 1 234 ? 20.037 -47.927 -13.236 0.60 53.24 ? 234 ASN A ND2 1 +ATOM 2722 N N A TYR A 1 235 ? 21.248 -50.056 -8.172 0.40 53.76 ? 235 TYR A N 1 +ATOM 2723 N N B TYR A 1 235 ? 21.216 -50.056 -8.145 0.60 53.62 ? 235 TYR A N 1 +ATOM 2724 C CA A TYR A 1 235 ? 22.067 -50.205 -6.971 0.40 60.58 ? 235 TYR A CA 1 +ATOM 2725 C CA B TYR A 1 235 ? 22.061 -50.183 -6.960 0.60 60.55 ? 235 TYR A CA 1 +ATOM 2726 C C A TYR A 1 235 ? 22.232 -51.663 -6.535 0.40 62.96 ? 235 TYR A C 1 +ATOM 2727 C C B TYR A 1 235 ? 22.255 -51.635 -6.530 0.60 63.03 ? 235 TYR A C 1 +ATOM 2728 O O A TYR A 1 235 ? 23.069 -51.938 -5.671 0.40 60.24 ? 235 TYR A O 1 +ATOM 2729 O O B TYR A 1 235 ? 23.139 -51.906 -5.712 0.60 60.10 ? 235 TYR A O 1 +ATOM 2730 C CB A TYR A 1 235 ? 21.479 -49.357 -5.839 0.40 62.77 ? 235 TYR A CB 1 +ATOM 2731 C CB B TYR A 1 235 ? 21.484 -49.344 -5.818 0.60 62.72 ? 235 TYR A CB 1 +ATOM 2732 C CG A TYR A 1 235 ? 21.708 -47.886 -6.079 0.40 70.03 ? 235 TYR A CG 1 +ATOM 2733 C CG B TYR A 1 235 ? 21.691 -47.867 -6.063 0.60 70.11 ? 235 TYR A CG 1 +ATOM 2734 C CD1 A TYR A 1 235 ? 22.989 -47.406 -6.337 0.40 71.78 ? 235 TYR A CD1 1 +ATOM 2735 C CD1 B TYR A 1 235 ? 22.945 -47.380 -6.419 0.60 71.79 ? 235 TYR A CD1 1 +ATOM 2736 C CD2 A TYR A 1 235 ? 20.652 -46.983 -6.112 0.40 66.55 ? 235 TYR A CD2 1 +ATOM 2737 C CD2 B TYR A 1 235 ? 20.637 -46.966 -5.990 0.60 66.55 ? 235 TYR A CD2 1 +ATOM 2738 C CE1 A TYR A 1 235 ? 23.223 -46.063 -6.584 0.40 78.61 ? 235 TYR A CE1 1 +ATOM 2739 C CE1 B TYR A 1 235 ? 23.153 -46.038 -6.667 0.60 78.82 ? 235 TYR A CE1 1 +ATOM 2740 C CE2 A TYR A 1 235 ? 20.875 -45.621 -6.366 0.40 71.72 ? 235 TYR A CE2 1 +ATOM 2741 C CE2 B TYR A 1 235 ? 20.837 -45.609 -6.239 0.60 72.04 ? 235 TYR A CE2 1 +ATOM 2742 C CZ A TYR A 1 235 ? 22.167 -45.170 -6.603 0.40 74.05 ? 235 TYR A CZ 1 +ATOM 2743 C CZ B TYR A 1 235 ? 22.099 -45.153 -6.577 0.60 74.09 ? 235 TYR A CZ 1 +ATOM 2744 O OH A TYR A 1 235 ? 22.429 -43.835 -6.859 0.40 68.25 ? 235 TYR A OH 1 +ATOM 2745 O OH B TYR A 1 235 ? 22.321 -43.812 -6.825 0.60 68.38 ? 235 TYR A OH 1 +ATOM 2746 N N A GLY A 1 236 ? 21.491 -52.600 -7.134 0.40 57.23 ? 236 GLY A N 1 +ATOM 2747 N N B GLY A 1 236 ? 21.485 -52.569 -7.093 0.60 57.28 ? 236 GLY A N 1 +ATOM 2748 C CA A GLY A 1 236 ? 21.640 -54.020 -6.854 0.40 58.19 ? 236 GLY A CA 1 +ATOM 2749 C CA B GLY A 1 236 ? 21.642 -53.986 -6.839 0.60 58.19 ? 236 GLY A CA 1 +ATOM 2750 C C A GLY A 1 236 ? 22.842 -54.676 -7.505 0.40 57.68 ? 236 GLY A C 1 +ATOM 2751 C C B GLY A 1 236 ? 22.830 -54.640 -7.514 0.60 57.71 ? 236 GLY A C 1 +ATOM 2752 O O A GLY A 1 236 ? 23.119 -55.851 -7.247 0.40 57.21 ? 236 GLY A O 1 +ATOM 2753 O O B GLY A 1 236 ? 23.117 -55.806 -7.234 0.60 57.16 ? 236 GLY A O 1 +ATOM 2754 N N A TYR A 1 237 ? 23.551 -53.948 -8.354 0.40 59.49 ? 237 TYR A N 1 +ATOM 2755 N N B TYR A 1 237 ? 23.514 -53.931 -8.408 0.60 59.62 ? 237 TYR A N 1 +ATOM 2756 C CA A TYR A 1 237 ? 24.804 -54.407 -8.929 0.40 57.08 ? 237 TYR A CA 1 +ATOM 2757 C CA B TYR A 1 237 ? 24.775 -54.393 -8.961 0.60 57.14 ? 237 TYR A CA 1 +ATOM 2758 C C A TYR A 1 237 ? 25.920 -53.506 -8.428 0.40 60.19 ? 237 TYR A C 1 +ATOM 2759 C C B TYR A 1 237 ? 25.893 -53.510 -8.432 0.60 60.28 ? 237 TYR A C 1 +ATOM 2760 O O A TYR A 1 237 ? 25.760 -52.282 -8.368 0.40 56.28 ? 237 TYR A O 1 +ATOM 2761 O O B TYR A 1 237 ? 25.742 -52.286 -8.338 0.60 56.23 ? 237 TYR A O 1 +ATOM 2762 C CB A TYR A 1 237 ? 24.770 -54.400 -10.470 0.40 52.15 ? 237 TYR A CB 1 +ATOM 2763 C CB B TYR A 1 237 ? 24.777 -54.388 -10.502 0.60 52.04 ? 237 TYR A CB 1 +ATOM 2764 C CG A TYR A 1 237 ? 26.150 -54.614 -11.042 0.40 52.63 ? 237 TYR A CG 1 +ATOM 2765 C CG B TYR A 1 237 ? 26.162 -54.626 -11.067 0.60 52.58 ? 237 TYR A CG 1 +ATOM 2766 C CD1 A TYR A 1 237 ? 26.641 -55.902 -11.276 0.40 54.41 ? 237 TYR A CD1 1 +ATOM 2767 C CD1 B TYR A 1 237 ? 26.625 -55.918 -11.331 0.60 54.42 ? 237 TYR A CD1 1 +ATOM 2768 C CD2 A TYR A 1 237 ? 26.987 -53.529 -11.309 0.40 50.33 ? 237 TYR A CD2 1 +ATOM 2769 C CD2 B TYR A 1 237 ? 27.029 -53.556 -11.300 0.60 50.31 ? 237 TYR A CD2 1 +ATOM 2770 C CE1 A TYR A 1 237 ? 27.923 -56.097 -11.776 0.40 50.56 ? 237 TYR A CE1 1 +ATOM 2771 C CE1 B TYR A 1 237 ? 27.906 -56.129 -11.825 0.60 50.33 ? 237 TYR A CE1 1 +ATOM 2772 C CE2 A TYR A 1 237 ? 28.264 -53.713 -11.790 0.40 51.83 ? 237 TYR A CE2 1 +ATOM 2773 C CE2 B TYR A 1 237 ? 28.298 -53.756 -11.777 0.60 51.84 ? 237 TYR A CE2 1 +ATOM 2774 C CZ A TYR A 1 237 ? 28.730 -54.995 -12.016 0.40 51.76 ? 237 TYR A CZ 1 +ATOM 2775 C CZ B TYR A 1 237 ? 28.738 -55.036 -12.039 0.60 51.71 ? 237 TYR A CZ 1 +ATOM 2776 O OH A TYR A 1 237 ? 30.002 -55.149 -12.504 0.40 55.21 ? 237 TYR A OH 1 +ATOM 2777 O OH B TYR A 1 237 ? 30.013 -55.200 -12.522 0.60 55.31 ? 237 TYR A OH 1 +ATOM 2778 N N A LYS A 1 238 ? 27.049 -54.111 -8.087 0.40 58.14 ? 238 LYS A N 1 +ATOM 2779 N N B LYS A 1 238 ? 27.017 -54.133 -8.096 0.60 58.01 ? 238 LYS A N 1 +ATOM 2780 C CA A LYS A 1 238 ? 28.195 -53.387 -7.558 0.40 65.62 ? 238 LYS A CA 1 +ATOM 2781 C CA B LYS A 1 238 ? 28.170 -53.428 -7.556 0.60 65.75 ? 238 LYS A CA 1 +ATOM 2782 C C A LYS A 1 238 ? 29.388 -53.610 -8.475 0.40 58.17 ? 238 LYS A C 1 +ATOM 2783 C C B LYS A 1 238 ? 29.353 -53.649 -8.482 0.60 58.15 ? 238 LYS A C 1 +ATOM 2784 O O A LYS A 1 238 ? 29.719 -54.755 -8.802 0.40 57.70 ? 238 LYS A O 1 +ATOM 2785 O O B LYS A 1 238 ? 29.686 -54.791 -8.801 0.60 57.73 ? 238 LYS A O 1 +ATOM 2786 C CB A LYS A 1 238 ? 28.522 -53.840 -6.131 0.40 65.34 ? 238 LYS A CB 1 +ATOM 2787 C CB B LYS A 1 238 ? 28.503 -53.905 -6.140 0.60 65.26 ? 238 LYS A CB 1 +ATOM 2788 C CG A LYS A 1 238 ? 27.875 -52.991 -5.056 0.40 80.12 ? 238 LYS A CG 1 +ATOM 2789 C CG B LYS A 1 238 ? 27.894 -53.055 -5.055 0.60 80.24 ? 238 LYS A CG 1 +ATOM 2790 C CD A LYS A 1 238 ? 26.377 -53.226 -4.941 0.40 83.38 ? 238 LYS A CD 1 +ATOM 2791 C CD B LYS A 1 238 ? 26.406 -53.301 -4.901 0.60 83.54 ? 238 LYS A CD 1 +ATOM 2792 C CE A LYS A 1 238 ? 25.762 -52.262 -3.913 0.40 95.07 ? 238 LYS A CE 1 +ATOM 2793 C CE B LYS A 1 238 ? 25.803 -52.297 -3.921 0.60 95.26 ? 238 LYS A CE 1 +ATOM 2794 N NZ A LYS A 1 238 ? 25.756 -50.847 -4.412 0.40 98.88 ? 238 LYS A NZ 1 +ATOM 2795 N NZ B LYS A 1 238 ? 25.825 -50.909 -4.488 0.60 99.17 ? 238 LYS A NZ 1 +ATOM 2796 N N A PHE A 1 239 ? 30.028 -52.520 -8.877 0.40 57.56 ? 239 PHE A N 1 +ATOM 2797 N N B PHE A 1 239 ? 29.980 -52.556 -8.908 0.60 57.56 ? 239 PHE A N 1 +ATOM 2798 C CA A PHE A 1 239 ? 31.140 -52.594 -9.816 0.40 56.38 ? 239 PHE A CA 1 +ATOM 2799 C CA B PHE A 1 239 ? 31.092 -52.631 -9.845 0.60 56.37 ? 239 PHE A CA 1 +ATOM 2800 C C A PHE A 1 239 ? 32.232 -53.514 -9.290 0.40 59.88 ? 239 PHE A C 1 +ATOM 2801 C C B PHE A 1 239 ? 32.171 -53.574 -9.338 0.60 59.75 ? 239 PHE A C 1 +ATOM 2802 O O A PHE A 1 239 ? 32.748 -53.320 -8.182 0.40 57.17 ? 239 PHE A O 1 +ATOM 2803 O O B PHE A 1 239 ? 32.650 -53.447 -8.206 0.60 56.65 ? 239 PHE A O 1 +ATOM 2804 C CB A PHE A 1 239 ? 31.701 -51.201 -10.065 0.40 44.98 ? 239 PHE A CB 1 +ATOM 2805 C CB B PHE A 1 239 ? 31.676 -51.241 -10.059 0.60 44.62 ? 239 PHE A CB 1 +ATOM 2806 C CG A PHE A 1 239 ? 32.889 -51.186 -10.986 0.40 52.54 ? 239 PHE A CG 1 +ATOM 2807 C CG B PHE A 1 239 ? 32.876 -51.218 -10.954 0.60 52.48 ? 239 PHE A CG 1 +ATOM 2808 C CD1 A PHE A 1 239 ? 32.764 -51.575 -12.313 0.40 47.96 ? 239 PHE A CD1 1 +ATOM 2809 C CD1 B PHE A 1 239 ? 32.778 -51.599 -12.276 0.60 47.79 ? 239 PHE A CD1 1 +ATOM 2810 C CD2 A PHE A 1 239 ? 34.127 -50.772 -10.528 0.40 65.24 ? 239 PHE A CD2 1 +ATOM 2811 C CD2 B PHE A 1 239 ? 34.100 -50.781 -10.480 0.60 65.49 ? 239 PHE A CD2 1 +ATOM 2812 C CE1 A PHE A 1 239 ? 33.848 -51.557 -13.151 0.40 55.61 ? 239 PHE A CE1 1 +ATOM 2813 C CE1 B PHE A 1 239 ? 33.879 -51.562 -13.105 0.60 55.74 ? 239 PHE A CE1 1 +ATOM 2814 C CE2 A PHE A 1 239 ? 35.222 -50.745 -11.370 0.40 54.91 ? 239 PHE A CE2 1 +ATOM 2815 C CE2 B PHE A 1 239 ? 35.209 -50.737 -11.310 0.60 54.85 ? 239 PHE A CE2 1 +ATOM 2816 C CZ A PHE A 1 239 ? 35.086 -51.129 -12.679 0.40 55.26 ? 239 PHE A CZ 1 +ATOM 2817 C CZ B PHE A 1 239 ? 35.098 -51.127 -12.619 0.60 55.27 ? 239 PHE A CZ 1 +ATOM 2818 N N A GLY A 1 240 ? 32.582 -54.517 -10.092 0.40 62.17 ? 240 GLY A N 1 +ATOM 2819 N N B GLY A 1 240 ? 32.560 -54.514 -10.191 0.60 62.14 ? 240 GLY A N 1 +ATOM 2820 C CA A GLY A 1 240 ? 33.610 -55.465 -9.728 0.40 65.42 ? 240 GLY A CA 1 +ATOM 2821 C CA B GLY A 1 240 ? 33.598 -55.458 -9.848 0.60 65.51 ? 240 GLY A CA 1 +ATOM 2822 C C A GLY A 1 240 ? 33.132 -56.728 -9.036 0.40 65.62 ? 240 GLY A C 1 +ATOM 2823 C C B GLY A 1 240 ? 33.148 -56.709 -9.124 0.60 65.68 ? 240 GLY A C 1 +ATOM 2824 O O A GLY A 1 240 ? 33.950 -57.624 -8.807 0.40 76.54 ? 240 GLY A O 1 +ATOM 2825 O O B GLY A 1 240 ? 33.994 -57.565 -8.838 0.60 76.76 ? 240 GLY A O 1 +ATOM 2826 N N A GLN A 1 241 ? 31.844 -56.841 -8.703 0.40 60.55 ? 241 GLN A N 1 +ATOM 2827 N N B GLN A 1 241 ? 31.856 -56.860 -8.828 0.60 60.44 ? 241 GLN A N 1 +ATOM 2828 C CA A GLN A 1 241 ? 31.370 -58.016 -7.970 0.40 59.34 ? 241 GLN A CA 1 +ATOM 2829 C CA B GLN A 1 241 ? 31.404 -58.034 -8.087 0.60 59.23 ? 241 GLN A CA 1 +ATOM 2830 C C A GLN A 1 241 ? 31.568 -59.284 -8.804 0.40 68.83 ? 241 GLN A C 1 +ATOM 2831 C C B GLN A 1 241 ? 31.641 -59.309 -8.900 0.60 68.92 ? 241 GLN A C 1 +ATOM 2832 O O A GLN A 1 241 ? 31.514 -59.259 -10.040 0.40 66.11 ? 241 GLN A O 1 +ATOM 2833 O O B GLN A 1 241 ? 31.662 -59.296 -10.135 0.60 66.07 ? 241 GLN A O 1 +ATOM 2834 C CB A GLN A 1 241 ? 29.892 -57.856 -7.581 0.40 54.59 ? 241 GLN A CB 1 +ATOM 2835 C CB B GLN A 1 241 ? 29.921 -57.904 -7.718 0.60 54.79 ? 241 GLN A CB 1 +ATOM 2836 C CG A GLN A 1 241 ? 28.934 -57.961 -8.799 0.40 62.87 ? 241 GLN A CG 1 +ATOM 2837 C CG B GLN A 1 241 ? 28.958 -58.042 -8.915 0.60 62.65 ? 241 GLN A CG 1 +ATOM 2838 C CD A GLN A 1 241 ? 27.451 -57.955 -8.435 0.40 59.70 ? 241 GLN A CD 1 +ATOM 2839 C CD B GLN A 1 241 ? 27.487 -57.989 -8.509 0.60 59.71 ? 241 GLN A CD 1 +ATOM 2840 O OE1 A GLN A 1 241 ? 26.978 -57.111 -7.669 0.40 59.54 ? 241 GLN A OE1 1 +ATOM 2841 O OE1 B GLN A 1 241 ? 27.074 -57.129 -7.735 0.60 59.63 ? 241 GLN A OE1 1 +ATOM 2842 N NE2 A GLN A 1 241 ? 26.715 -58.907 -8.987 0.40 62.39 ? 241 GLN A NE2 1 +ATOM 2843 N NE2 B GLN A 1 241 ? 26.696 -58.920 -9.025 0.60 62.37 ? 241 GLN A NE2 1 +ATOM 2844 N N A GLU A 1 242 ? 31.815 -60.402 -8.109 0.40 69.78 ? 242 GLU A N 1 +ATOM 2845 N N B GLU A 1 242 ? 31.826 -60.425 -8.182 0.60 69.72 ? 242 GLU A N 1 +ATOM 2846 C CA A GLU A 1 242 ? 32.185 -61.648 -8.778 0.40 69.70 ? 242 GLU A CA 1 +ATOM 2847 C CA B GLU A 1 242 ? 32.200 -61.695 -8.803 0.60 69.54 ? 242 GLU A CA 1 +ATOM 2848 C C A GLU A 1 242 ? 30.985 -62.316 -9.438 0.40 69.59 ? 242 GLU A C 1 +ATOM 2849 C C B GLU A 1 242 ? 31.018 -62.410 -9.446 0.60 69.67 ? 242 GLU A C 1 +ATOM 2850 O O A GLU A 1 242 ? 31.123 -62.976 -10.476 0.40 64.09 ? 242 GLU A O 1 +ATOM 2851 O O B GLU A 1 242 ? 31.192 -63.112 -10.452 0.60 63.70 ? 242 GLU A O 1 +ATOM 2852 C CB A GLU A 1 242 ? 32.805 -62.620 -7.774 0.40 71.33 ? 242 GLU A CB 1 +ATOM 2853 C CB B GLU A 1 242 ? 32.830 -62.624 -7.761 0.60 71.06 ? 242 GLU A CB 1 +ATOM 2854 C CG A GLU A 1 242 ? 34.066 -62.116 -7.085 0.40 92.40 ? 242 GLU A CG 1 +ATOM 2855 C CG B GLU A 1 242 ? 34.105 -62.105 -7.121 0.60 92.49 ? 242 GLU A CG 1 +ATOM 2856 C CD A GLU A 1 242 ? 35.325 -62.721 -7.674 0.40 118.69 ? 242 GLU A CD 1 +ATOM 2857 C CD B GLU A 1 242 ? 35.348 -62.775 -7.680 0.60 119.09 ? 242 GLU A CD 1 +ATOM 2858 O OE1 A GLU A 1 242 ? 35.294 -63.104 -8.867 0.40 124.12 ? 242 GLU A OE1 1 +ATOM 2859 O OE1 B GLU A 1 242 ? 35.313 -63.223 -8.851 0.60 124.75 ? 242 GLU A OE1 1 +ATOM 2860 O OE2 A GLU A 1 242 ? 36.338 -62.826 -6.945 0.40 126.93 ? 242 GLU A OE2 1 +ATOM 2861 O OE2 B GLU A 1 242 ? 36.356 -62.866 -6.945 0.60 127.13 ? 242 GLU A OE2 1 +ATOM 2862 N N A GLU A 1 243 ? 29.809 -62.189 -8.836 0.40 61.90 ? 243 GLU A N 1 +ATOM 2863 N N B GLU A 1 243 ? 29.825 -62.269 -8.878 0.60 61.69 ? 243 GLU A N 1 +ATOM 2864 C CA A GLU A 1 243 ? 28.644 -62.940 -9.273 0.40 68.98 ? 243 GLU A CA 1 +ATOM 2865 C CA B GLU A 1 243 ? 28.666 -63.046 -9.296 0.60 68.90 ? 243 GLU A CA 1 +ATOM 2866 C C A GLU A 1 243 ? 27.849 -62.175 -10.326 0.40 64.25 ? 243 GLU A C 1 +ATOM 2867 C C B GLU A 1 243 ? 27.820 -62.283 -10.312 0.60 64.27 ? 243 GLU A C 1 +ATOM 2868 O O A GLU A 1 243 ? 27.745 -60.942 -10.295 0.40 65.13 ? 243 GLU A O 1 +ATOM 2869 O O B GLU A 1 243 ? 27.706 -61.055 -10.252 0.60 65.00 ? 243 GLU A O 1 +ATOM 2870 C CB A GLU A 1 243 ? 27.754 -63.279 -8.079 0.40 69.74 ? 243 GLU A CB 1 +ATOM 2871 C CB B GLU A 1 243 ? 27.808 -63.426 -8.088 0.60 69.72 ? 243 GLU A CB 1 +ATOM 2872 C CG A GLU A 1 243 ? 27.765 -62.225 -6.979 0.40 88.10 ? 243 GLU A CG 1 +ATOM 2873 C CG B GLU A 1 243 ? 27.698 -62.332 -7.035 0.60 88.43 ? 243 GLU A CG 1 +ATOM 2874 C CD A GLU A 1 243 ? 29.006 -62.303 -6.085 0.40 97.58 ? 243 GLU A CD 1 +ATOM 2875 C CD B GLU A 1 243 ? 28.914 -62.265 -6.113 0.60 97.87 ? 243 GLU A CD 1 +ATOM 2876 O OE1 A GLU A 1 243 ? 29.352 -63.424 -5.641 0.40 103.06 ? 243 GLU A OE1 1 +ATOM 2877 O OE1 B GLU A 1 243 ? 29.370 -63.337 -5.648 0.60 103.30 ? 243 GLU A OE1 1 +ATOM 2878 O OE2 A GLU A 1 243 ? 29.643 -61.244 -5.854 0.40 85.02 ? 243 GLU A OE2 1 +ATOM 2879 O OE2 B GLU A 1 243 ? 29.418 -61.141 -5.872 0.60 85.28 ? 243 GLU A OE2 1 +ATOM 2880 N N A GLU A 1 244 ? 27.295 -62.931 -11.265 0.40 60.01 ? 244 GLU A N 1 +ATOM 2881 N N B GLU A 1 244 ? 27.223 -63.026 -11.239 0.60 60.07 ? 244 GLU A N 1 +ATOM 2882 C CA A GLU A 1 244 ? 26.424 -62.370 -12.285 0.40 63.48 ? 244 GLU A CA 1 +ATOM 2883 C CA B GLU A 1 244 ? 26.346 -62.431 -12.232 0.60 63.49 ? 244 GLU A CA 1 +ATOM 2884 C C A GLU A 1 244 ? 25.192 -61.744 -11.630 0.40 69.59 ? 244 GLU A C 1 +ATOM 2885 C C B GLU A 1 244 ? 25.150 -61.760 -11.554 0.60 69.80 ? 244 GLU A C 1 +ATOM 2886 O O A GLU A 1 244 ? 24.761 -62.143 -10.542 0.40 58.99 ? 244 GLU A O 1 +ATOM 2887 O O B GLU A 1 244 ? 24.741 -62.124 -10.448 0.60 58.77 ? 244 GLU A O 1 +ATOM 2888 C CB A GLU A 1 244 ? 26.032 -63.462 -13.292 0.40 65.11 ? 244 GLU A CB 1 +ATOM 2889 C CB B GLU A 1 244 ? 25.890 -63.499 -13.236 0.60 65.19 ? 244 GLU A CB 1 +ATOM 2890 C CG A GLU A 1 244 ? 25.546 -62.987 -14.669 0.40 69.96 ? 244 GLU A CG 1 +ATOM 2891 C CG B GLU A 1 244 ? 25.415 -62.975 -14.599 0.60 70.10 ? 244 GLU A CG 1 +ATOM 2892 C CD A GLU A 1 244 ? 26.171 -61.664 -15.124 0.40 66.77 ? 244 GLU A CD 1 +ATOM 2893 C CD B GLU A 1 244 ? 26.096 -61.676 -15.028 0.60 66.91 ? 244 GLU A CD 1 +ATOM 2894 O OE1 A GLU A 1 244 ? 25.704 -60.608 -14.662 0.40 63.41 ? 244 GLU A OE1 1 +ATOM 2895 O OE1 B GLU A 1 244 ? 25.706 -60.607 -14.519 0.60 63.48 ? 244 GLU A OE1 1 +ATOM 2896 O OE2 A GLU A 1 244 ? 27.121 -61.678 -15.944 0.40 65.84 ? 244 GLU A OE2 1 +ATOM 2897 O OE2 B GLU A 1 244 ? 27.011 -61.718 -15.878 0.60 65.85 ? 244 GLU A OE2 1 +ATOM 2898 N N A THR A 1 245 ? 24.642 -60.722 -12.286 0.40 63.72 ? 245 THR A N 1 +ATOM 2899 N N B THR A 1 245 ? 24.600 -60.747 -12.220 0.60 63.74 ? 245 THR A N 1 +ATOM 2900 C CA A THR A 1 245 ? 23.610 -59.898 -11.674 0.40 62.97 ? 245 THR A CA 1 +ATOM 2901 C CA B THR A 1 245 ? 23.564 -59.913 -11.627 0.60 63.01 ? 245 THR A CA 1 +ATOM 2902 C C A THR A 1 245 ? 22.203 -60.263 -12.134 0.40 59.73 ? 245 THR A C 1 +ATOM 2903 C C B THR A 1 245 ? 22.159 -60.268 -12.111 0.60 59.63 ? 245 THR A C 1 +ATOM 2904 O O A THR A 1 245 ? 21.226 -59.755 -11.571 0.40 63.58 ? 245 THR A O 1 +ATOM 2905 O O B THR A 1 245 ? 21.179 -59.733 -11.582 0.60 63.71 ? 245 THR A O 1 +ATOM 2906 C CB A THR A 1 245 ? 23.890 -58.413 -11.963 0.40 61.81 ? 245 THR A CB 1 +ATOM 2907 C CB B THR A 1 245 ? 23.865 -58.438 -11.919 0.60 61.85 ? 245 THR A CB 1 +ATOM 2908 O OG1 A THR A 1 245 ? 23.241 -57.595 -10.980 0.40 59.88 ? 245 THR A OG1 1 +ATOM 2909 O OG1 B THR A 1 245 ? 23.168 -57.596 -10.989 0.60 60.01 ? 245 THR A OG1 1 +ATOM 2910 C CG2 A THR A 1 245 ? 23.384 -58.048 -13.348 0.40 55.25 ? 245 THR A CG2 1 +ATOM 2911 C CG2 B THR A 1 245 ? 23.452 -58.092 -13.338 0.60 55.14 ? 245 THR A CG2 1 +ATOM 2912 N N A TYR A 1 246 ? 22.075 -61.132 -13.126 0.40 60.41 ? 246 TYR A N 1 +ATOM 2913 N N B TYR A 1 246 ? 22.038 -61.151 -13.097 0.60 60.37 ? 246 TYR A N 1 +ATOM 2914 C CA A TYR A 1 246 ? 20.784 -61.599 -13.592 0.40 61.43 ? 246 TYR A CA 1 +ATOM 2915 C CA B TYR A 1 246 ? 20.743 -61.613 -13.567 0.60 61.47 ? 246 TYR A CA 1 +ATOM 2916 C C A TYR A 1 246 ? 20.869 -63.104 -13.790 0.40 58.40 ? 246 TYR A C 1 +ATOM 2917 C C B TYR A 1 246 ? 20.801 -63.122 -13.734 0.60 58.32 ? 246 TYR A C 1 +ATOM 2918 O O A TYR A 1 246 ? 21.956 -63.680 -13.839 0.40 60.04 ? 246 TYR A O 1 +ATOM 2919 O O B TYR A 1 246 ? 21.870 -63.731 -13.695 0.60 60.38 ? 246 TYR A O 1 +ATOM 2920 C CB A TYR A 1 246 ? 20.379 -60.917 -14.903 0.40 59.07 ? 246 TYR A CB 1 +ATOM 2921 C CB B TYR A 1 246 ? 20.345 -60.944 -14.883 0.60 59.08 ? 246 TYR A CB 1 +ATOM 2922 C CG A TYR A 1 246 ? 21.200 -61.388 -16.080 0.40 56.28 ? 246 TYR A CG 1 +ATOM 2923 C CG B TYR A 1 246 ? 21.167 -61.389 -16.069 0.60 56.12 ? 246 TYR A CG 1 +ATOM 2924 C CD1 A TYR A 1 246 ? 22.521 -60.976 -16.228 0.40 60.01 ? 246 TYR A CD1 1 +ATOM 2925 C CD1 B TYR A 1 246 ? 22.455 -60.904 -16.257 0.60 59.94 ? 246 TYR A CD1 1 +ATOM 2926 C CD2 A TYR A 1 246 ? 20.660 -62.252 -17.038 0.40 59.33 ? 246 TYR A CD2 1 +ATOM 2927 C CD2 B TYR A 1 246 ? 20.653 -62.285 -17.008 0.60 59.28 ? 246 TYR A CD2 1 +ATOM 2928 C CE1 A TYR A 1 246 ? 23.290 -61.392 -17.305 0.40 69.82 ? 246 TYR A CE1 1 +ATOM 2929 C CE1 B TYR A 1 246 ? 23.216 -61.293 -17.344 0.60 70.06 ? 246 TYR A CE1 1 +ATOM 2930 C CE2 A TYR A 1 246 ? 21.422 -62.686 -18.130 0.40 61.93 ? 246 TYR A CE2 1 +ATOM 2931 C CE2 B TYR A 1 246 ? 21.410 -62.688 -18.106 0.60 61.88 ? 246 TYR A CE2 1 +ATOM 2932 C CZ A TYR A 1 246 ? 22.736 -62.241 -18.253 0.40 73.40 ? 246 TYR A CZ 1 +ATOM 2933 C CZ B TYR A 1 246 ? 22.693 -62.179 -18.266 0.60 73.60 ? 246 TYR A CZ 1 +ATOM 2934 O OH A TYR A 1 246 ? 23.518 -62.641 -19.306 0.40 82.59 ? 246 TYR A OH 1 +ATOM 2935 O OH B TYR A 1 246 ? 23.475 -62.542 -19.337 0.60 82.82 ? 246 TYR A OH 1 +ATOM 2936 N N A ASN A 1 247 ? 19.701 -63.726 -13.947 0.40 61.33 ? 247 ASN A N 1 +ATOM 2937 N N B ASN A 1 247 ? 19.635 -63.721 -13.941 0.60 61.42 ? 247 ASN A N 1 +ATOM 2938 C CA A ASN A 1 247 ? 19.551 -65.177 -14.084 0.40 62.21 ? 247 ASN A CA 1 +ATOM 2939 C CA B ASN A 1 247 ? 19.501 -65.172 -14.066 0.60 62.29 ? 247 ASN A CA 1 +ATOM 2940 C C A ASN A 1 247 ? 19.342 -65.508 -15.566 0.40 63.45 ? 247 ASN A C 1 +ATOM 2941 C C B ASN A 1 247 ? 19.296 -65.521 -15.543 0.60 63.70 ? 247 ASN A C 1 +ATOM 2942 O O A ASN A 1 247 ? 18.234 -65.379 -16.099 0.40 59.08 ? 247 ASN A O 1 +ATOM 2943 O O B ASN A 1 247 ? 18.172 -65.480 -16.057 0.60 59.05 ? 247 ASN A O 1 +ATOM 2944 C CB A ASN A 1 247 ? 18.389 -65.646 -13.209 0.40 57.05 ? 247 ASN A CB 1 +ATOM 2945 C CB B ASN A 1 247 ? 18.355 -65.665 -13.188 0.60 56.92 ? 247 ASN A CB 1 +ATOM 2946 C CG A ASN A 1 247 ? 18.233 -67.165 -13.173 0.40 64.76 ? 247 ASN A CG 1 +ATOM 2947 C CG B ASN A 1 247 ? 18.190 -67.178 -13.226 0.60 64.91 ? 247 ASN A CG 1 +ATOM 2948 O OD1 A ASN A 1 247 ? 18.611 -67.871 -14.101 0.40 54.26 ? 247 ASN A OD1 1 +ATOM 2949 O OD1 B ASN A 1 247 ? 18.565 -67.834 -14.196 0.60 54.00 ? 247 ASN A OD1 1 +ATOM 2950 N ND2 A ASN A 1 247 ? 17.647 -67.662 -12.094 0.40 59.47 ? 247 ASN A ND2 1 +ATOM 2951 N ND2 B ASN A 1 247 ? 17.619 -67.734 -12.165 0.60 59.37 ? 247 ASN A ND2 1 +ATOM 2952 N N A ILE A 1 248 ? 20.413 -65.949 -16.230 0.40 53.97 ? 248 ILE A N 1 +ATOM 2953 N N B ILE A 1 248 ? 20.386 -65.895 -16.219 0.60 53.74 ? 248 ILE A N 1 +ATOM 2954 C CA A ILE A 1 248 ? 20.308 -66.261 -17.646 0.40 56.92 ? 248 ILE A CA 1 +ATOM 2955 C CA B ILE A 1 248 ? 20.299 -66.242 -17.631 0.60 56.75 ? 248 ILE A CA 1 +ATOM 2956 C C A ILE A 1 248 ? 19.396 -67.464 -17.874 0.40 66.32 ? 248 ILE A C 1 +ATOM 2957 C C B ILE A 1 248 ? 19.439 -67.482 -17.863 0.60 66.52 ? 248 ILE A C 1 +ATOM 2958 O O A ILE A 1 248 ? 18.740 -67.559 -18.922 0.40 66.56 ? 248 ILE A O 1 +ATOM 2959 O O B ILE A 1 248 ? 18.896 -67.652 -18.961 0.60 67.24 ? 248 ILE A O 1 +ATOM 2960 C CB A ILE A 1 248 ? 21.707 -66.462 -18.271 0.40 58.79 ? 248 ILE A CB 1 +ATOM 2961 C CB B ILE A 1 248 ? 21.708 -66.416 -18.236 0.60 58.58 ? 248 ILE A CB 1 +ATOM 2962 C CG1 A ILE A 1 248 ? 21.600 -66.468 -19.806 0.40 73.97 ? 248 ILE A CG1 1 +ATOM 2963 C CG1 B ILE A 1 248 ? 21.628 -66.466 -19.772 0.60 74.21 ? 248 ILE A CG1 1 +ATOM 2964 C CG2 A ILE A 1 248 ? 22.330 -67.766 -17.828 0.40 60.44 ? 248 ILE A CG2 1 +ATOM 2965 C CG2 B ILE A 1 248 ? 22.376 -67.666 -17.712 0.60 60.27 ? 248 ILE A CG2 1 +ATOM 2966 C CD1 A ILE A 1 248 ? 22.935 -66.345 -20.549 0.40 64.18 ? 248 ILE A CD1 1 +ATOM 2967 C CD1 B ILE A 1 248 ? 22.964 -66.376 -20.505 0.60 64.19 ? 248 ILE A CD1 1 +ATOM 2968 N N A VAL A 1 249 ? 19.302 -68.379 -16.903 0.40 59.46 ? 249 VAL A N 1 +ATOM 2969 N N B VAL A 1 249 ? 19.262 -68.343 -16.859 0.60 59.43 ? 249 VAL A N 1 +ATOM 2970 C CA A VAL A 1 249 ? 18.437 -69.544 -17.082 0.40 61.85 ? 249 VAL A CA 1 +ATOM 2971 C CA B VAL A 1 249 ? 18.413 -69.515 -17.060 0.60 61.89 ? 249 VAL A CA 1 +ATOM 2972 C C A VAL A 1 249 ? 16.973 -69.120 -17.128 0.40 57.69 ? 249 VAL A C 1 +ATOM 2973 C C B VAL A 1 249 ? 16.948 -69.104 -17.134 0.60 57.63 ? 249 VAL A C 1 +ATOM 2974 O O A VAL A 1 249 ? 16.189 -69.634 -17.935 0.40 56.47 ? 249 VAL A O 1 +ATOM 2975 O O B VAL A 1 249 ? 16.188 -69.606 -17.973 0.60 56.32 ? 249 VAL A O 1 +ATOM 2976 C CB A VAL A 1 249 ? 18.705 -70.593 -15.978 0.40 65.89 ? 249 VAL A CB 1 +ATOM 2977 C CB B VAL A 1 249 ? 18.660 -70.564 -15.955 0.60 65.96 ? 249 VAL A CB 1 +ATOM 2978 C CG1 A VAL A 1 249 ? 17.810 -71.807 -16.161 0.40 63.80 ? 249 VAL A CG1 1 +ATOM 2979 C CG1 B VAL A 1 249 ? 17.852 -71.835 -16.223 0.60 63.63 ? 249 VAL A CG1 1 +ATOM 2980 C CG2 A VAL A 1 249 ? 20.154 -71.035 -16.033 0.40 65.88 ? 249 VAL A CG2 1 +ATOM 2981 C CG2 B VAL A 1 249 ? 20.130 -70.909 -15.880 0.60 66.57 ? 249 VAL A CG2 1 +ATOM 2982 N N A ALA A 1 250 ? 16.585 -68.153 -16.292 0.40 57.65 ? 250 ALA A N 1 +ATOM 2983 N N B ALA A 1 250 ? 16.528 -68.184 -16.262 0.60 57.56 ? 250 ALA A N 1 +ATOM 2984 C CA A ALA A 1 250 ? 15.214 -67.643 -16.355 0.40 64.81 ? 250 ALA A CA 1 +ATOM 2985 C CA B ALA A 1 250 ? 15.170 -67.648 -16.337 0.60 64.93 ? 250 ALA A CA 1 +ATOM 2986 C C A ALA A 1 250 ? 14.969 -66.849 -17.642 0.40 63.52 ? 250 ALA A C 1 +ATOM 2987 C C B ALA A 1 250 ? 14.948 -66.859 -17.626 0.60 63.66 ? 250 ALA A C 1 +ATOM 2988 O O A ALA A 1 250 ? 13.881 -66.931 -18.227 0.40 60.68 ? 250 ALA A O 1 +ATOM 2989 O O B ALA A 1 250 ? 13.849 -66.886 -18.194 0.60 60.81 ? 250 ALA A O 1 +ATOM 2990 C CB A ALA A 1 250 ? 14.905 -66.789 -15.124 0.40 57.35 ? 250 ALA A CB 1 +ATOM 2991 C CB B ALA A 1 250 ? 14.880 -66.772 -15.119 0.60 57.26 ? 250 ALA A CB 1 +ATOM 2992 N N A ALA A 1 251 ? 15.964 -66.088 -18.105 0.40 57.66 ? 251 ALA A N 1 +ATOM 2993 N N B ALA A 1 251 ? 15.973 -66.148 -18.104 0.60 57.57 ? 251 ALA A N 1 +ATOM 2994 C CA A ALA A 1 251 ? 15.822 -65.384 -19.381 0.40 63.49 ? 251 ALA A CA 1 +ATOM 2995 C CA B ALA A 1 251 ? 15.824 -65.413 -19.356 0.60 63.66 ? 251 ALA A CA 1 +ATOM 2996 C C A ALA A 1 251 ? 15.619 -66.371 -20.529 0.40 62.12 ? 251 ALA A C 1 +ATOM 2997 C C B ALA A 1 251 ? 15.655 -66.378 -20.526 0.60 62.28 ? 251 ALA A C 1 +ATOM 2998 O O A ALA A 1 251 ? 14.731 -66.197 -21.378 0.40 53.38 ? 251 ALA A O 1 +ATOM 2999 O O B ALA A 1 251 ? 14.760 -66.214 -21.365 0.60 53.28 ? 251 ALA A O 1 +ATOM 3000 C CB A ALA A 1 251 ? 17.049 -64.503 -19.635 0.40 51.46 ? 251 ALA A CB 1 +ATOM 3001 C CB B ALA A 1 251 ? 17.027 -64.492 -19.573 0.60 51.24 ? 251 ALA A CB 1 +ATOM 3002 N N A HIS A 1 252 ? 16.455 -67.406 -20.576 0.40 58.09 ? 252 HIS A N 1 +ATOM 3003 N N B HIS A 1 252 ? 16.507 -67.400 -20.584 0.60 58.01 ? 252 HIS A N 1 +ATOM 3004 C CA A HIS A 1 252 ? 16.323 -68.441 -21.594 0.40 61.28 ? 252 HIS A CA 1 +ATOM 3005 C CA B HIS A 1 252 ? 16.373 -68.440 -21.595 0.60 61.23 ? 252 HIS A CA 1 +ATOM 3006 C C A HIS A 1 252 ? 14.980 -69.160 -21.480 0.40 61.64 ? 252 HIS A C 1 +ATOM 3007 C C B HIS A 1 252 ? 15.024 -69.146 -21.485 0.60 61.72 ? 252 HIS A C 1 +ATOM 3008 O O A HIS A 1 252 ? 14.342 -69.471 -22.496 0.40 57.38 ? 252 HIS A O 1 +ATOM 3009 O O B HIS A 1 252 ? 14.386 -69.448 -22.504 0.60 57.32 ? 252 HIS A O 1 +ATOM 3010 C CB A HIS A 1 252 ? 17.496 -69.413 -21.462 0.40 59.10 ? 252 HIS A CB 1 +ATOM 3011 C CB B HIS A 1 252 ? 17.530 -69.424 -21.454 0.60 58.95 ? 252 HIS A CB 1 +ATOM 3012 C CG A HIS A 1 252 ? 17.418 -70.602 -22.366 0.40 73.07 ? 252 HIS A CG 1 +ATOM 3013 C CG B HIS A 1 252 ? 17.437 -70.609 -22.360 0.60 73.29 ? 252 HIS A CG 1 +ATOM 3014 N ND1 A HIS A 1 252 ? 17.372 -70.491 -23.739 0.40 68.98 ? 252 HIS A ND1 1 +ATOM 3015 N ND1 B HIS A 1 252 ? 17.554 -70.509 -23.729 0.60 68.88 ? 252 HIS A ND1 1 +ATOM 3016 C CD2 A HIS A 1 252 ? 17.402 -71.931 -22.094 0.40 64.21 ? 252 HIS A CD2 1 +ATOM 3017 C CD2 B HIS A 1 252 ? 17.252 -71.925 -22.091 0.60 63.86 ? 252 HIS A CD2 1 +ATOM 3018 C CE1 A HIS A 1 252 ? 17.321 -71.699 -24.275 0.40 66.63 ? 252 HIS A CE1 1 +ATOM 3019 C CE1 B HIS A 1 252 ? 17.439 -71.711 -24.266 0.60 66.53 ? 252 HIS A CE1 1 +ATOM 3020 N NE2 A HIS A 1 252 ? 17.335 -72.589 -23.298 0.40 69.67 ? 252 HIS A NE2 1 +ATOM 3021 N NE2 B HIS A 1 252 ? 17.256 -72.587 -23.293 0.60 69.72 ? 252 HIS A NE2 1 +ATOM 3022 N N A GLY A 1 253 ? 14.532 -69.423 -20.247 0.40 58.26 ? 253 GLY A N 1 +ATOM 3023 N N B GLY A 1 253 ? 14.566 -69.393 -20.254 0.60 58.18 ? 253 GLY A N 1 +ATOM 3024 C CA A GLY A 1 253 ? 13.247 -70.079 -20.052 0.40 60.48 ? 253 GLY A CA 1 +ATOM 3025 C CA B GLY A 1 253 ? 13.284 -70.049 -20.056 0.60 60.41 ? 253 GLY A CA 1 +ATOM 3026 C C A GLY A 1 253 ? 12.078 -69.245 -20.538 0.40 62.33 ? 253 GLY A C 1 +ATOM 3027 C C B GLY A 1 253 ? 12.103 -69.219 -20.513 0.60 62.44 ? 253 GLY A C 1 +ATOM 3028 O O A GLY A 1 253 ? 11.103 -69.781 -21.075 0.40 60.41 ? 253 GLY A O 1 +ATOM 3029 O O B GLY A 1 253 ? 11.114 -69.766 -21.013 0.60 60.57 ? 253 GLY A O 1 +ATOM 3030 N N A TYR A 1 254 ? 12.158 -67.921 -20.353 0.40 59.70 ? 254 TYR A N 1 +ATOM 3031 N N B TYR A 1 254 ? 12.183 -67.894 -20.350 0.60 59.73 ? 254 TYR A N 1 +ATOM 3032 C CA A TYR A 1 254 ? 11.176 -67.014 -20.939 0.40 52.49 ? 254 TYR A CA 1 +ATOM 3033 C CA B TYR A 1 254 ? 11.171 -67.009 -20.922 0.60 52.35 ? 254 TYR A CA 1 +ATOM 3034 C C A TYR A 1 254 ? 11.268 -67.008 -22.462 0.40 57.56 ? 254 TYR A C 1 +ATOM 3035 C C B TYR A 1 254 ? 11.245 -66.991 -22.447 0.60 57.65 ? 254 TYR A C 1 +ATOM 3036 O O A TYR A 1 254 ? 10.264 -67.209 -23.164 0.40 55.20 ? 254 TYR A O 1 +ATOM 3037 O O B TYR A 1 254 ? 10.232 -67.185 -23.134 0.60 55.26 ? 254 TYR A O 1 +ATOM 3038 C CB A TYR A 1 254 ? 11.374 -65.589 -20.385 0.40 53.41 ? 254 TYR A CB 1 +ATOM 3039 C CB B TYR A 1 254 ? 11.330 -65.589 -20.366 0.60 53.38 ? 254 TYR A CB 1 +ATOM 3040 C CG A TYR A 1 254 ? 10.630 -64.555 -21.199 0.40 50.95 ? 254 TYR A CG 1 +ATOM 3041 C CG B TYR A 1 254 ? 10.555 -64.567 -21.166 0.60 50.93 ? 254 TYR A CG 1 +ATOM 3042 C CD1 A TYR A 1 254 ? 9.279 -64.314 -20.974 0.40 51.11 ? 254 TYR A CD1 1 +ATOM 3043 C CD1 B TYR A 1 254 ? 9.200 -64.352 -20.931 0.60 51.12 ? 254 TYR A CD1 1 +ATOM 3044 C CD2 A TYR A 1 254 ? 11.262 -63.857 -22.234 0.40 52.76 ? 254 TYR A CD2 1 +ATOM 3045 C CD2 B TYR A 1 254 ? 11.169 -63.845 -22.190 0.60 52.88 ? 254 TYR A CD2 1 +ATOM 3046 C CE1 A TYR A 1 254 ? 8.570 -63.396 -21.743 0.40 51.51 ? 254 TYR A CE1 1 +ATOM 3047 C CE1 B TYR A 1 254 ? 8.480 -63.429 -21.682 0.60 51.46 ? 254 TYR A CE1 1 +ATOM 3048 C CE2 A TYR A 1 254 ? 10.561 -62.926 -23.012 0.40 53.85 ? 254 TYR A CE2 1 +ATOM 3049 C CE2 B TYR A 1 254 ? 10.457 -62.929 -22.948 0.60 53.92 ? 254 TYR A CE2 1 +ATOM 3050 C CZ A TYR A 1 254 ? 9.214 -62.701 -22.753 0.40 52.04 ? 254 TYR A CZ 1 +ATOM 3051 C CZ B TYR A 1 254 ? 9.117 -62.723 -22.690 0.60 52.19 ? 254 TYR A CZ 1 +ATOM 3052 O OH A TYR A 1 254 ? 8.498 -61.798 -23.514 0.40 51.89 ? 254 TYR A OH 1 +ATOM 3053 O OH B TYR A 1 254 ? 8.419 -61.805 -23.447 0.60 51.98 ? 254 TYR A OH 1 +ATOM 3054 N N A PHE A 1 255 ? 12.468 -66.750 -22.999 0.40 57.56 ? 255 PHE A N 1 +ATOM 3055 N N B PHE A 1 255 ? 12.436 -66.732 -23.000 0.60 57.66 ? 255 PHE A N 1 +ATOM 3056 C CA A PHE A 1 255 ? 12.570 -66.506 -24.435 0.40 53.40 ? 255 PHE A CA 1 +ATOM 3057 C CA B PHE A 1 255 ? 12.533 -66.499 -24.439 0.60 53.12 ? 255 PHE A CA 1 +ATOM 3058 C C A PHE A 1 255 ? 12.384 -67.789 -25.228 0.40 59.54 ? 255 PHE A C 1 +ATOM 3059 C C B PHE A 1 255 ? 12.395 -67.789 -25.229 0.60 59.51 ? 255 PHE A C 1 +ATOM 3060 O O A PHE A 1 255 ? 11.837 -67.760 -26.341 0.40 56.66 ? 255 PHE A O 1 +ATOM 3061 O O B PHE A 1 255 ? 11.904 -67.771 -26.363 0.60 56.52 ? 255 PHE A O 1 +ATOM 3062 C CB A PHE A 1 255 ? 13.916 -65.843 -24.779 0.40 64.45 ? 255 PHE A CB 1 +ATOM 3063 C CB B PHE A 1 255 ? 13.855 -65.804 -24.788 0.60 64.56 ? 255 PHE A CB 1 +ATOM 3064 C CG A PHE A 1 255 ? 14.041 -65.445 -26.239 0.40 66.13 ? 255 PHE A CG 1 +ATOM 3065 C CG B PHE A 1 255 ? 13.968 -65.415 -26.245 0.60 66.20 ? 255 PHE A CG 1 +ATOM 3066 C CD1 A PHE A 1 255 ? 13.206 -64.477 -26.785 0.40 61.95 ? 255 PHE A CD1 1 +ATOM 3067 C CD1 B PHE A 1 255 ? 13.015 -64.591 -26.831 0.60 61.93 ? 255 PHE A CD1 1 +ATOM 3068 C CD2 A PHE A 1 255 ? 14.978 -66.051 -27.068 0.40 69.59 ? 255 PHE A CD2 1 +ATOM 3069 C CD2 B PHE A 1 255 ? 15.017 -65.882 -27.031 0.60 69.85 ? 255 PHE A CD2 1 +ATOM 3070 C CE1 A PHE A 1 255 ? 13.310 -64.129 -28.140 0.40 66.57 ? 255 PHE A CE1 1 +ATOM 3071 C CE1 B PHE A 1 255 ? 13.105 -64.243 -28.180 0.60 67.01 ? 255 PHE A CE1 1 +ATOM 3072 C CE2 A PHE A 1 255 ? 15.088 -65.697 -28.416 0.40 67.01 ? 255 PHE A CE2 1 +ATOM 3073 C CE2 B PHE A 1 255 ? 15.116 -65.531 -28.379 0.60 67.11 ? 255 PHE A CE2 1 +ATOM 3074 C CZ A PHE A 1 255 ? 14.251 -64.741 -28.951 0.40 58.95 ? 255 PHE A CZ 1 +ATOM 3075 C CZ B PHE A 1 255 ? 14.158 -64.710 -28.952 0.60 58.71 ? 255 PHE A CZ 1 +ATOM 3076 N N A GLY A 1 256 ? 12.835 -68.922 -24.684 0.40 70.92 ? 256 GLY A N 1 +ATOM 3077 N N B GLY A 1 256 ? 12.835 -68.912 -24.663 0.60 71.28 ? 256 GLY A N 1 +ATOM 3078 C CA A GLY A 1 256 ? 12.583 -70.190 -25.347 0.40 61.43 ? 256 GLY A CA 1 +ATOM 3079 C CA B GLY A 1 256 ? 12.594 -70.187 -25.313 0.60 61.43 ? 256 GLY A CA 1 +ATOM 3080 C C A GLY A 1 256 ? 11.103 -70.507 -25.458 0.40 57.74 ? 256 GLY A C 1 +ATOM 3081 C C B GLY A 1 256 ? 11.113 -70.478 -25.471 0.60 57.58 ? 256 GLY A C 1 +ATOM 3082 O O A GLY A 1 256 ? 10.673 -71.139 -26.414 0.40 64.22 ? 256 GLY A O 1 +ATOM 3083 O O B GLY A 1 256 ? 10.691 -71.067 -26.462 0.60 64.35 ? 256 GLY A O 1 +ATOM 3084 N N A ARG A 1 257 ? 10.299 -70.076 -24.488 0.40 56.34 ? 257 ARG A N 1 +ATOM 3085 N N B ARG A 1 257 ? 10.301 -70.069 -24.498 0.60 56.32 ? 257 ARG A N 1 +ATOM 3086 C CA A ARG A 1 257 ? 8.870 -70.329 -24.622 0.40 57.01 ? 257 ARG A CA 1 +ATOM 3087 C CA B ARG A 1 257 ? 8.871 -70.317 -24.626 0.60 57.00 ? 257 ARG A CA 1 +ATOM 3088 C C A ARG A 1 257 ? 8.199 -69.324 -25.540 0.40 60.67 ? 257 ARG A C 1 +ATOM 3089 C C B ARG A 1 257 ? 8.180 -69.285 -25.502 0.60 60.84 ? 257 ARG A C 1 +ATOM 3090 O O A ARG A 1 257 ? 7.199 -69.663 -26.188 0.40 56.83 ? 257 ARG A O 1 +ATOM 3091 O O B ARG A 1 257 ? 7.125 -69.590 -26.076 0.60 56.95 ? 257 ARG A O 1 +ATOM 3092 C CB A ARG A 1 257 ? 8.204 -70.360 -23.250 0.40 52.38 ? 257 ARG A CB 1 +ATOM 3093 C CB B ARG A 1 257 ? 8.217 -70.379 -23.244 0.60 52.23 ? 257 ARG A CB 1 +ATOM 3094 C CG A ARG A 1 257 ? 8.580 -71.623 -22.494 0.40 56.40 ? 257 ARG A CG 1 +ATOM 3095 C CG B ARG A 1 257 ? 8.586 -71.644 -22.502 0.60 56.27 ? 257 ARG A CG 1 +ATOM 3096 C CD A ARG A 1 257 ? 8.010 -71.676 -21.089 0.40 63.55 ? 257 ARG A CD 1 +ATOM 3097 C CD B ARG A 1 257 ? 7.934 -71.749 -21.131 0.60 63.61 ? 257 ARG A CD 1 +ATOM 3098 N NE A ARG A 1 257 ? 8.320 -72.964 -20.475 0.40 65.77 ? 257 ARG A NE 1 +ATOM 3099 N NE B ARG A 1 257 ? 8.273 -73.027 -20.515 0.60 65.70 ? 257 ARG A NE 1 +ATOM 3100 C CZ A ARG A 1 257 ? 9.453 -73.232 -19.838 0.40 72.90 ? 257 ARG A CZ 1 +ATOM 3101 C CZ B ARG A 1 257 ? 9.409 -73.268 -19.875 0.60 73.07 ? 257 ARG A CZ 1 +ATOM 3102 N NH1 A ARG A 1 257 ? 10.389 -72.310 -19.676 0.40 63.05 ? 257 ARG A NH1 1 +ATOM 3103 N NH1 B ARG A 1 257 ? 10.313 -72.318 -19.691 0.60 62.91 ? 257 ARG A NH1 1 +ATOM 3104 N NH2 A ARG A 1 257 ? 9.651 -74.455 -19.347 0.40 68.83 ? 257 ARG A NH2 1 +ATOM 3105 N NH2 B ARG A 1 257 ? 9.647 -74.495 -19.411 0.60 68.65 ? 257 ARG A NH2 1 +ATOM 3106 N N A LEU A 1 258 ? 8.744 -68.103 -25.622 0.40 60.03 ? 258 LEU A N 1 +ATOM 3107 N N B LEU A 1 258 ? 8.762 -68.085 -25.629 0.60 60.07 ? 258 LEU A N 1 +ATOM 3108 C CA A LEU A 1 258 ? 8.202 -67.090 -26.525 0.40 59.58 ? 258 LEU A CA 1 +ATOM 3109 C CA B LEU A 1 258 ? 8.207 -67.071 -26.520 0.60 59.65 ? 258 LEU A CA 1 +ATOM 3110 C C A LEU A 1 258 ? 8.242 -67.573 -27.964 0.40 56.32 ? 258 LEU A C 1 +ATOM 3111 C C B LEU A 1 258 ? 8.249 -67.535 -27.966 0.60 56.30 ? 258 LEU A C 1 +ATOM 3112 O O A LEU A 1 258 ? 7.268 -67.425 -28.709 0.40 59.22 ? 258 LEU A O 1 +ATOM 3113 O O B LEU A 1 258 ? 7.284 -67.344 -28.717 0.60 59.28 ? 258 LEU A O 1 +ATOM 3114 C CB A LEU A 1 258 ? 8.981 -65.775 -26.375 0.40 58.55 ? 258 LEU A CB 1 +ATOM 3115 C CB B LEU A 1 258 ? 8.973 -65.755 -26.355 0.60 58.56 ? 258 LEU A CB 1 +ATOM 3116 C CG A LEU A 1 258 ? 8.517 -64.581 -27.201 0.40 56.48 ? 258 LEU A CG 1 +ATOM 3117 C CG B LEU A 1 258 ? 8.542 -64.560 -27.203 0.60 56.53 ? 258 LEU A CG 1 +ATOM 3118 C CD1 A LEU A 1 258 ? 7.052 -64.273 -26.884 0.40 51.42 ? 258 LEU A CD1 1 +ATOM 3119 C CD1 B LEU A 1 258 ? 7.095 -64.181 -26.894 0.60 51.31 ? 258 LEU A CD1 1 +ATOM 3120 C CD2 A LEU A 1 258 ? 9.407 -63.360 -26.924 0.40 58.76 ? 258 LEU A CD2 1 +ATOM 3121 C CD2 B LEU A 1 258 ? 9.472 -63.379 -26.949 0.60 58.84 ? 258 LEU A CD2 1 +ATOM 3122 N N A ILE A 1 259 ? 9.371 -68.143 -28.375 0.40 53.29 ? 259 ILE A N 1 +ATOM 3123 N N B ILE A 1 259 ? 9.361 -68.144 -28.377 0.60 53.15 ? 259 ILE A N 1 +ATOM 3124 C CA A ILE A 1 259 ? 9.503 -68.721 -29.704 0.40 57.27 ? 259 ILE A CA 1 +ATOM 3125 C CA B ILE A 1 259 ? 9.491 -68.694 -29.721 0.60 57.15 ? 259 ILE A CA 1 +ATOM 3126 C C A ILE A 1 259 ? 9.416 -70.235 -29.555 0.40 59.58 ? 259 ILE A C 1 +ATOM 3127 C C B ILE A 1 259 ? 9.411 -70.208 -29.599 0.60 59.60 ? 259 ILE A C 1 +ATOM 3128 O O A ILE A 1 259 ? 8.323 -70.802 -29.433 0.40 61.11 ? 259 ILE A O 1 +ATOM 3129 O O B ILE A 1 259 ? 8.321 -70.782 -29.525 0.60 61.08 ? 259 ILE A O 1 +ATOM 3130 C CB A ILE A 1 259 ? 10.821 -68.289 -30.371 0.40 62.08 ? 259 ILE A CB 1 +ATOM 3131 C CB B ILE A 1 259 ? 10.806 -68.255 -30.391 0.60 62.19 ? 259 ILE A CB 1 +ATOM 3132 C CG1 A ILE A 1 259 ? 11.069 -66.791 -30.136 0.40 62.09 ? 259 ILE A CG1 1 +ATOM 3133 C CG1 B ILE A 1 259 ? 11.073 -66.763 -30.136 0.60 62.09 ? 259 ILE A CG1 1 +ATOM 3134 C CG2 A ILE A 1 259 ? 10.795 -68.604 -31.887 0.40 59.41 ? 259 ILE A CG2 1 +ATOM 3135 C CG2 B ILE A 1 259 ? 10.776 -68.566 -31.896 0.60 59.33 ? 259 ILE A CG2 1 +ATOM 3136 C CD1 A ILE A 1 259 ? 10.086 -65.872 -30.866 0.40 60.98 ? 259 ILE A CD1 1 +ATOM 3137 C CD1 B ILE A 1 259 ? 10.059 -65.825 -30.780 0.60 60.87 ? 259 ILE A CD1 1 +ATOM 3138 N N A PHE A 1 260 ? 10.568 -70.896 -29.563 0.40 57.15 ? 260 PHE A N 1 +ATOM 3139 N N B PHE A 1 260 ? 10.567 -70.862 -29.596 0.60 57.12 ? 260 PHE A N 1 +ATOM 3140 C CA A PHE A 1 260 ? 10.675 -72.275 -29.119 0.40 57.45 ? 260 PHE A CA 1 +ATOM 3141 C CA B PHE A 1 260 ? 10.680 -72.247 -29.169 0.60 57.46 ? 260 PHE A CA 1 +ATOM 3142 C C A PHE A 1 260 ? 12.086 -72.447 -28.576 0.40 64.15 ? 260 PHE A C 1 +ATOM 3143 C C B PHE A 1 260 ? 12.090 -72.421 -28.623 0.60 64.30 ? 260 PHE A C 1 +ATOM 3144 O O A PHE A 1 260 ? 12.967 -71.616 -28.819 0.40 61.17 ? 260 PHE A O 1 +ATOM 3145 O O B PHE A 1 260 ? 12.974 -71.591 -28.864 0.60 61.09 ? 260 PHE A O 1 +ATOM 3146 C CB A PHE A 1 260 ? 10.336 -73.291 -30.232 0.40 59.82 ? 260 PHE A CB 1 +ATOM 3147 C CB B PHE A 1 260 ? 10.353 -73.249 -30.291 0.60 59.78 ? 260 PHE A CB 1 +ATOM 3148 C CG A PHE A 1 260 ? 11.095 -73.088 -31.512 0.40 64.04 ? 260 PHE A CG 1 +ATOM 3149 C CG B PHE A 1 260 ? 11.137 -73.040 -31.556 0.60 64.08 ? 260 PHE A CG 1 +ATOM 3150 C CD1 A PHE A 1 260 ? 12.358 -73.647 -31.686 0.40 71.26 ? 260 PHE A CD1 1 +ATOM 3151 C CD1 B PHE A 1 260 ? 12.386 -73.627 -31.726 0.60 71.42 ? 260 PHE A CD1 1 +ATOM 3152 C CD2 A PHE A 1 260 ? 10.535 -72.366 -32.559 0.40 60.72 ? 260 PHE A CD2 1 +ATOM 3153 C CD2 B PHE A 1 260 ? 10.614 -72.279 -32.591 0.60 60.47 ? 260 PHE A CD2 1 +ATOM 3154 C CE1 A PHE A 1 260 ? 13.058 -73.469 -32.882 0.40 71.25 ? 260 PHE A CE1 1 +ATOM 3155 C CE1 B PHE A 1 260 ? 13.110 -73.440 -32.909 0.60 71.14 ? 260 PHE A CE1 1 +ATOM 3156 C CE2 A PHE A 1 260 ? 11.227 -72.190 -33.756 0.40 72.01 ? 260 PHE A CE2 1 +ATOM 3157 C CE2 B PHE A 1 260 ? 11.329 -72.092 -33.774 0.60 71.97 ? 260 PHE A CE2 1 +ATOM 3158 C CZ A PHE A 1 260 ? 12.489 -72.738 -33.915 0.40 75.10 ? 260 PHE A CZ 1 +ATOM 3159 C CZ B PHE A 1 260 ? 12.578 -72.671 -33.930 0.60 74.99 ? 260 PHE A CZ 1 +ATOM 3160 N N A GLN A 1 261 ? 12.280 -73.535 -27.823 0.40 60.70 ? 261 GLN A N 1 +ATOM 3161 N N B GLN A 1 261 ? 12.278 -73.510 -27.872 0.60 60.48 ? 261 GLN A N 1 +ATOM 3162 C CA A GLN A 1 261 ? 13.453 -73.679 -26.961 0.40 69.28 ? 261 GLN A CA 1 +ATOM 3163 C CA B GLN A 1 261 ? 13.442 -73.652 -26.998 0.60 69.29 ? 261 GLN A CA 1 +ATOM 3164 C C A GLN A 1 261 ? 14.766 -73.498 -27.720 0.40 66.39 ? 261 GLN A C 1 +ATOM 3165 C C B GLN A 1 261 ? 14.759 -73.505 -27.755 0.60 66.29 ? 261 GLN A C 1 +ATOM 3166 O O A GLN A 1 261 ? 15.705 -72.875 -27.208 0.40 65.12 ? 261 GLN A O 1 +ATOM 3167 O O B GLN A 1 261 ? 15.707 -72.890 -27.254 0.60 65.05 ? 261 GLN A O 1 +ATOM 3168 C CB A GLN A 1 261 ? 13.411 -75.048 -26.276 0.40 68.60 ? 261 GLN A CB 1 +ATOM 3169 C CB B GLN A 1 261 ? 13.388 -75.006 -26.287 0.60 68.52 ? 261 GLN A CB 1 +ATOM 3170 C CG A GLN A 1 261 ? 14.668 -75.409 -25.511 0.40 73.29 ? 261 GLN A CG 1 +ATOM 3171 C CG B GLN A 1 261 ? 14.586 -75.296 -25.409 0.60 73.06 ? 261 GLN A CG 1 +ATOM 3172 C CD A GLN A 1 261 ? 14.556 -76.765 -24.812 0.40 78.98 ? 261 GLN A CD 1 +ATOM 3173 C CD B GLN A 1 261 ? 14.535 -76.686 -24.783 0.60 79.15 ? 261 GLN A CD 1 +ATOM 3174 O OE1 A GLN A 1 261 ? 13.592 -77.510 -25.014 0.40 72.07 ? 261 GLN A OE1 1 +ATOM 3175 O OE1 B GLN A 1 261 ? 13.629 -77.477 -25.056 0.60 71.99 ? 261 GLN A OE1 1 +ATOM 3176 N NE2 A GLN A 1 261 ? 15.543 -77.082 -23.984 0.40 72.83 ? 261 GLN A NE2 1 +ATOM 3177 N NE2 B GLN A 1 261 ? 15.514 -76.986 -23.938 0.60 72.68 ? 261 GLN A NE2 1 +ATOM 3178 N N A TYR A 1 262 ? 14.847 -74.016 -28.940 0.40 63.95 ? 262 TYR A N 1 +ATOM 3179 N N B TYR A 1 262 ? 14.839 -74.061 -28.955 0.60 63.76 ? 262 TYR A N 1 +ATOM 3180 C CA A TYR A 1 262 ? 16.091 -74.060 -29.694 0.40 71.89 ? 262 TYR A CA 1 +ATOM 3181 C CA B TYR A 1 262 ? 16.086 -74.096 -29.702 0.60 71.85 ? 262 TYR A CA 1 +ATOM 3182 C C A TYR A 1 262 ? 16.352 -72.785 -30.493 0.40 72.06 ? 262 TYR A C 1 +ATOM 3183 C C B TYR A 1 262 ? 16.340 -72.815 -30.491 0.60 72.14 ? 262 TYR A C 1 +ATOM 3184 O O A TYR A 1 262 ? 17.419 -72.657 -31.101 0.40 71.98 ? 262 TYR A O 1 +ATOM 3185 O O B TYR A 1 262 ? 17.391 -72.692 -31.128 0.60 71.90 ? 262 TYR A O 1 +ATOM 3186 C CB A TYR A 1 262 ? 16.084 -75.298 -30.607 0.40 78.29 ? 262 TYR A CB 1 +ATOM 3187 C CB B TYR A 1 262 ? 16.088 -75.330 -30.614 0.60 78.17 ? 262 TYR A CB 1 +ATOM 3188 C CG A TYR A 1 262 ? 15.760 -76.551 -29.817 0.40 85.54 ? 262 TYR A CG 1 +ATOM 3189 C CG B TYR A 1 262 ? 15.744 -76.573 -29.822 0.60 85.61 ? 262 TYR A CG 1 +ATOM 3190 C CD1 A TYR A 1 262 ? 16.714 -77.138 -28.992 0.40 83.24 ? 262 TYR A CD1 1 +ATOM 3191 C CD1 B TYR A 1 262 ? 16.688 -77.172 -28.997 0.60 83.20 ? 262 TYR A CD1 1 +ATOM 3192 C CD2 A TYR A 1 262 ? 14.488 -77.114 -29.848 0.40 89.45 ? 262 TYR A CD2 1 +ATOM 3193 C CD2 B TYR A 1 262 ? 14.460 -77.112 -29.849 0.60 89.56 ? 262 TYR A CD2 1 +ATOM 3194 C CE1 A TYR A 1 262 ? 16.419 -78.271 -28.239 0.40 91.36 ? 262 TYR A CE1 1 +ATOM 3195 C CE1 B TYR A 1 262 ? 16.376 -78.290 -28.241 0.60 91.46 ? 262 TYR A CE1 1 +ATOM 3196 C CE2 A TYR A 1 262 ? 14.183 -78.250 -29.099 0.40 94.34 ? 262 TYR A CE2 1 +ATOM 3197 C CE2 B TYR A 1 262 ? 14.139 -78.235 -29.093 0.60 94.46 ? 262 TYR A CE2 1 +ATOM 3198 C CZ A TYR A 1 262 ? 15.154 -78.822 -28.297 0.40 92.56 ? 262 TYR A CZ 1 +ATOM 3199 C CZ B TYR A 1 262 ? 15.103 -78.819 -28.292 0.60 92.59 ? 262 TYR A CZ 1 +ATOM 3200 O OH A TYR A 1 262 ? 14.862 -79.943 -27.546 0.40 98.01 ? 262 TYR A OH 1 +ATOM 3201 O OH B TYR A 1 262 ? 14.800 -79.932 -27.536 0.60 98.09 ? 262 TYR A OH 1 +ATOM 3202 N N A ALA A 1 263 ? 15.416 -71.838 -30.493 0.40 64.51 ? 263 ALA A N 1 +ATOM 3203 N N B ALA A 1 263 ? 15.416 -71.859 -30.449 0.60 64.40 ? 263 ALA A N 1 +ATOM 3204 C CA A ALA A 1 263 ? 15.644 -70.508 -31.038 0.40 69.13 ? 263 ALA A CA 1 +ATOM 3205 C CA B ALA A 1 263 ? 15.635 -70.534 -31.013 0.60 69.12 ? 263 ALA A CA 1 +ATOM 3206 C C A ALA A 1 263 ? 16.229 -69.549 -30.006 0.40 70.35 ? 263 ALA A C 1 +ATOM 3207 C C B ALA A 1 263 ? 16.254 -69.575 -30.004 0.60 70.43 ? 263 ALA A C 1 +ATOM 3208 O O A ALA A 1 263 ? 16.318 -68.343 -30.271 0.40 68.77 ? 263 ALA A O 1 +ATOM 3209 O O B ALA A 1 263 ? 16.457 -68.399 -30.320 0.60 68.55 ? 263 ALA A O 1 +ATOM 3210 C CB A ALA A 1 263 ? 14.337 -69.935 -31.593 0.40 65.50 ? 263 ALA A CB 1 +ATOM 3211 C CB B ALA A 1 263 ? 14.316 -69.959 -31.542 0.60 65.38 ? 263 ALA A CB 1 +ATOM 3212 N N A SER A 1 264 ? 16.610 -70.049 -28.832 0.40 66.14 ? 264 SER A N 1 +ATOM 3213 N N B SER A 1 264 ? 16.552 -70.053 -28.800 0.60 66.03 ? 264 SER A N 1 +ATOM 3214 C CA A SER A 1 264 ? 17.070 -69.206 -27.742 0.40 70.46 ? 264 SER A CA 1 +ATOM 3215 C CA B SER A 1 264 ? 17.032 -69.225 -27.706 0.60 70.46 ? 264 SER A CA 1 +ATOM 3216 C C A SER A 1 264 ? 18.475 -69.614 -27.316 0.40 66.05 ? 264 SER A C 1 +ATOM 3217 C C B SER A 1 264 ? 18.446 -69.643 -27.331 0.60 65.97 ? 264 SER A C 1 +ATOM 3218 O O A SER A 1 264 ? 18.855 -70.782 -27.413 0.40 72.24 ? 264 SER A O 1 +ATOM 3219 O O B SER A 1 264 ? 18.792 -70.823 -27.409 0.60 72.40 ? 264 SER A O 1 +ATOM 3220 C CB A SER A 1 264 ? 16.112 -69.279 -26.557 0.40 64.83 ? 264 SER A CB 1 +ATOM 3221 C CB B SER A 1 264 ? 16.099 -69.337 -26.499 0.60 64.81 ? 264 SER A CB 1 +ATOM 3222 O OG A SER A 1 264 ? 16.624 -68.570 -25.451 0.40 63.85 ? 264 SER A OG 1 +ATOM 3223 O OG B SER A 1 264 ? 16.540 -68.530 -25.427 0.60 63.74 ? 264 SER A OG 1 +ATOM 3224 N N A PHE A 1 265 ? 19.252 -68.629 -26.877 0.40 68.20 ? 265 PHE A N 1 +ATOM 3225 N N B PHE A 1 265 ? 19.269 -68.669 -26.961 0.60 68.22 ? 265 PHE A N 1 +ATOM 3226 C CA A PHE A 1 265 ? 20.627 -68.841 -26.449 0.40 69.85 ? 265 PHE A CA 1 +ATOM 3227 C CA B PHE A 1 265 ? 20.625 -68.933 -26.507 0.60 69.78 ? 265 PHE A CA 1 +ATOM 3228 C C A PHE A 1 265 ? 20.646 -69.091 -24.951 0.40 70.68 ? 265 PHE A C 1 +ATOM 3229 C C B PHE A 1 265 ? 20.606 -69.223 -25.018 0.60 70.57 ? 265 PHE A C 1 +ATOM 3230 O O A PHE A 1 265 ? 19.998 -68.376 -24.185 0.40 76.89 ? 265 PHE A O 1 +ATOM 3231 O O B PHE A 1 265 ? 19.867 -68.588 -24.263 0.60 77.72 ? 265 PHE A O 1 +ATOM 3232 C CB A PHE A 1 265 ? 21.506 -67.617 -26.735 0.40 65.67 ? 265 PHE A CB 1 +ATOM 3233 C CB B PHE A 1 265 ? 21.549 -67.736 -26.754 0.60 65.58 ? 265 PHE A CB 1 +ATOM 3234 C CG A PHE A 1 265 ? 21.838 -67.392 -28.188 0.40 69.76 ? 265 PHE A CG 1 +ATOM 3235 C CG B PHE A 1 265 ? 21.902 -67.500 -28.193 0.60 69.80 ? 265 PHE A CG 1 +ATOM 3236 C CD1 A PHE A 1 265 ? 22.895 -68.062 -28.784 0.40 66.80 ? 265 PHE A CD1 1 +ATOM 3237 C CD1 B PHE A 1 265 ? 22.958 -68.178 -28.783 0.60 66.80 ? 265 PHE A CD1 1 +ATOM 3238 C CD2 A PHE A 1 265 ? 21.144 -66.450 -28.936 0.40 68.14 ? 265 PHE A CD2 1 +ATOM 3239 C CD2 B PHE A 1 265 ? 21.215 -66.554 -28.942 0.60 68.14 ? 265 PHE A CD2 1 +ATOM 3240 C CE1 A PHE A 1 265 ? 23.233 -67.832 -30.108 0.40 75.11 ? 265 PHE A CE1 1 +ATOM 3241 C CE1 B PHE A 1 265 ? 23.303 -67.938 -30.107 0.60 75.50 ? 265 PHE A CE1 1 +ATOM 3242 C CE2 A PHE A 1 265 ? 21.475 -66.210 -30.269 0.40 64.12 ? 265 PHE A CE2 1 +ATOM 3243 C CE2 B PHE A 1 265 ? 21.555 -66.310 -30.260 0.60 63.92 ? 265 PHE A CE2 1 +ATOM 3244 C CZ A PHE A 1 265 ? 22.523 -66.903 -30.855 0.40 66.69 ? 265 PHE A CZ 1 +ATOM 3245 C CZ B PHE A 1 265 ? 22.599 -66.999 -30.844 0.60 66.90 ? 265 PHE A CZ 1 +ATOM 3246 N N A ASN A 1 266 ? 21.410 -70.080 -24.520 0.40 67.52 ? 266 ASN A N 1 +ATOM 3247 N N B ASN A 1 266 ? 21.434 -70.165 -24.587 0.60 67.23 ? 266 ASN A N 1 +ATOM 3248 C CA A ASN A 1 266 ? 21.686 -70.184 -23.099 0.40 73.93 ? 266 ASN A CA 1 +ATOM 3249 C CA B ASN A 1 266 ? 21.718 -70.283 -23.165 0.60 74.18 ? 266 ASN A CA 1 +ATOM 3250 C C A ASN A 1 266 ? 23.169 -70.026 -22.801 0.40 68.21 ? 266 ASN A C 1 +ATOM 3251 C C B ASN A 1 266 ? 23.201 -70.123 -22.871 0.60 68.39 ? 266 ASN A C 1 +ATOM 3252 O O A ASN A 1 266 ? 23.565 -70.047 -21.630 0.40 71.83 ? 266 ASN A O 1 +ATOM 3253 O O B ASN A 1 266 ? 23.588 -70.076 -21.699 0.60 71.90 ? 266 ASN A O 1 +ATOM 3254 C CB A ASN A 1 266 ? 21.146 -71.507 -22.531 0.40 77.63 ? 266 ASN A CB 1 +ATOM 3255 C CB B ASN A 1 266 ? 21.188 -71.615 -22.603 0.60 77.63 ? 266 ASN A CB 1 +ATOM 3256 C CG A ASN A 1 266 ? 21.910 -72.713 -23.015 0.40 75.52 ? 266 ASN A CG 1 +ATOM 3257 C CG B ASN A 1 266 ? 21.962 -72.817 -23.091 0.60 75.61 ? 266 ASN A CG 1 +ATOM 3258 O OD1 A ASN A 1 266 ? 22.619 -72.665 -24.021 0.40 85.22 ? 266 ASN A OD1 1 +ATOM 3259 O OD1 B ASN A 1 266 ? 22.650 -72.763 -24.108 0.60 85.74 ? 266 ASN A OD1 1 +ATOM 3260 N ND2 A ASN A 1 266 ? 21.759 -73.820 -22.296 0.40 92.47 ? 266 ASN A ND2 1 +ATOM 3261 N ND2 B ASN A 1 266 ? 21.843 -73.922 -22.369 0.60 93.18 ? 266 ASN A ND2 1 +ATOM 3262 N N A ASN A 1 267 ? 23.993 -69.873 -23.831 0.40 59.17 ? 267 ASN A N 1 +ATOM 3263 N N B ASN A 1 267 ? 24.035 -70.030 -23.900 0.60 58.64 ? 267 ASN A N 1 +ATOM 3264 C CA A ASN A 1 267 ? 25.422 -69.640 -23.690 0.40 60.86 ? 267 ASN A CA 1 +ATOM 3265 C CA B ASN A 1 267 ? 25.456 -69.753 -23.755 0.60 60.94 ? 267 ASN A CA 1 +ATOM 3266 C C A ASN A 1 267 ? 25.659 -68.140 -23.905 0.40 59.98 ? 267 ASN A C 1 +ATOM 3267 C C B ASN A 1 267 ? 25.649 -68.247 -23.934 0.60 60.22 ? 267 ASN A C 1 +ATOM 3268 O O A ASN A 1 267 ? 25.541 -67.640 -25.029 0.40 53.29 ? 267 ASN A O 1 +ATOM 3269 O O B ASN A 1 267 ? 25.471 -67.718 -25.036 0.60 53.18 ? 267 ASN A O 1 +ATOM 3270 C CB A ASN A 1 267 ? 26.182 -70.509 -24.693 0.40 54.00 ? 267 ASN A CB 1 +ATOM 3271 C CB B ASN A 1 267 ? 26.253 -70.566 -24.776 0.60 53.83 ? 267 ASN A CB 1 +ATOM 3272 C CG A ASN A 1 267 ? 27.697 -70.404 -24.558 0.40 59.92 ? 267 ASN A CG 1 +ATOM 3273 C CG B ASN A 1 267 ? 27.754 -70.450 -24.588 0.60 60.08 ? 267 ASN A CG 1 +ATOM 3274 O OD1 A ASN A 1 267 ? 28.231 -69.348 -24.246 0.40 54.37 ? 267 ASN A OD1 1 +ATOM 3275 O OD1 B ASN A 1 267 ? 28.266 -69.387 -24.247 0.60 54.35 ? 267 ASN A OD1 1 +ATOM 3276 N ND2 A ASN A 1 267 ? 28.398 -71.512 -24.823 0.40 52.44 ? 267 ASN A ND2 1 +ATOM 3277 N ND2 B ASN A 1 267 ? 28.472 -71.544 -24.835 0.60 52.25 ? 267 ASN A ND2 1 +ATOM 3278 N N A SER A 1 268 ? 25.977 -67.426 -22.820 0.40 54.70 ? 268 SER A N 1 +ATOM 3279 N N B SER A 1 268 ? 26.006 -67.560 -22.844 0.60 55.00 ? 268 SER A N 1 +ATOM 3280 C CA A SER A 1 268 ? 26.186 -65.984 -22.903 0.40 51.54 ? 268 SER A CA 1 +ATOM 3281 C CA B SER A 1 268 ? 26.187 -66.114 -22.901 0.60 51.30 ? 268 SER A CA 1 +ATOM 3282 C C A SER A 1 268 ? 27.320 -65.640 -23.859 0.40 54.34 ? 268 SER A C 1 +ATOM 3283 C C B SER A 1 268 ? 27.311 -65.722 -23.855 0.60 54.47 ? 268 SER A C 1 +ATOM 3284 O O A SER A 1 268 ? 27.286 -64.587 -24.513 0.40 51.71 ? 268 SER A O 1 +ATOM 3285 O O B SER A 1 268 ? 27.262 -64.646 -24.465 0.60 51.86 ? 268 SER A O 1 +ATOM 3286 C CB A SER A 1 268 ? 26.452 -65.415 -21.501 0.40 53.59 ? 268 SER A CB 1 +ATOM 3287 C CB B SER A 1 268 ? 26.461 -65.566 -21.498 0.60 53.31 ? 268 SER A CB 1 +ATOM 3288 O OG A SER A 1 268 ? 26.941 -64.078 -21.549 0.40 62.40 ? 268 SER A OG 1 +ATOM 3289 O OG B SER A 1 268 ? 26.861 -64.205 -21.552 0.60 62.96 ? 268 SER A OG 1 +ATOM 3290 N N A ARG A 1 269 ? 28.312 -66.524 -23.990 0.40 48.55 ? 269 ARG A N 1 +ATOM 3291 N N B ARG A 1 269 ? 28.323 -66.577 -24.010 0.60 48.45 ? 269 ARG A N 1 +ATOM 3292 C CA A ARG A 1 269 ? 29.417 -66.226 -24.895 0.40 55.21 ? 269 ARG A CA 1 +ATOM 3293 C CA B ARG A 1 269 ? 29.440 -66.224 -24.880 0.60 55.29 ? 269 ARG A CA 1 +ATOM 3294 C C A ARG A 1 269 ? 28.961 -66.236 -26.342 0.40 57.01 ? 269 ARG A C 1 +ATOM 3295 C C B ARG A 1 269 ? 29.022 -66.225 -26.340 0.60 57.15 ? 269 ARG A C 1 +ATOM 3296 O O A ARG A 1 269 ? 29.313 -65.333 -27.113 0.40 51.64 ? 269 ARG A O 1 +ATOM 3297 O O B ARG A 1 269 ? 29.367 -65.303 -27.093 0.60 51.60 ? 269 ARG A O 1 +ATOM 3298 C CB A ARG A 1 269 ? 30.577 -67.192 -24.681 0.40 51.74 ? 269 ARG A CB 1 +ATOM 3299 C CB B ARG A 1 269 ? 30.622 -67.161 -24.643 0.60 51.73 ? 269 ARG A CB 1 +ATOM 3300 C CG A ARG A 1 269 ? 31.197 -66.984 -23.291 0.40 58.68 ? 269 ARG A CG 1 +ATOM 3301 C CG B ARG A 1 269 ? 31.194 -66.960 -23.234 0.60 58.69 ? 269 ARG A CG 1 +ATOM 3302 C CD A ARG A 1 269 ? 32.481 -67.766 -23.073 0.40 57.12 ? 269 ARG A CD 1 +ATOM 3303 C CD B ARG A 1 269 ? 32.483 -67.726 -22.987 0.60 57.19 ? 269 ARG A CD 1 +ATOM 3304 N NE A ARG A 1 269 ? 33.102 -67.356 -21.820 0.40 56.51 ? 269 ARG A NE 1 +ATOM 3305 N NE B ARG A 1 269 ? 33.095 -67.281 -21.741 0.60 56.55 ? 269 ARG A NE 1 +ATOM 3306 C CZ A ARG A 1 269 ? 34.379 -67.544 -21.521 0.40 55.04 ? 269 ARG A CZ 1 +ATOM 3307 C CZ B ARG A 1 269 ? 34.370 -67.459 -21.427 0.60 54.84 ? 269 ARG A CZ 1 +ATOM 3308 N NH1 A ARG A 1 269 ? 35.182 -68.243 -22.313 0.40 55.33 ? 269 ARG A NH1 1 +ATOM 3309 N NH1 B ARG A 1 269 ? 35.189 -68.142 -22.213 0.60 55.54 ? 269 ARG A NH1 1 +ATOM 3310 N NH2 A ARG A 1 269 ? 34.866 -67.014 -20.403 0.40 56.78 ? 269 ARG A NH2 1 +ATOM 3311 N NH2 B ARG A 1 269 ? 34.838 -66.933 -20.302 0.60 57.14 ? 269 ARG A NH2 1 +ATOM 3312 N N A SER A 1 270 ? 28.172 -67.230 -26.744 0.40 55.13 ? 270 SER A N 1 +ATOM 3313 N N B SER A 1 270 ? 28.258 -67.223 -26.762 0.60 55.27 ? 270 SER A N 1 +ATOM 3314 C CA A SER A 1 270 ? 27.819 -67.211 -28.158 0.40 61.44 ? 270 SER A CA 1 +ATOM 3315 C CA B SER A 1 270 ? 27.876 -67.214 -28.165 0.60 61.59 ? 270 SER A CA 1 +ATOM 3316 C C A SER A 1 270 ? 26.722 -66.192 -28.428 0.40 49.81 ? 270 SER A C 1 +ATOM 3317 C C B SER A 1 270 ? 26.775 -66.195 -28.425 0.60 49.57 ? 270 SER A C 1 +ATOM 3318 O O A SER A 1 270 ? 26.695 -65.591 -29.501 0.40 52.41 ? 270 SER A O 1 +ATOM 3319 O O B SER A 1 270 ? 26.757 -65.576 -29.488 0.60 52.36 ? 270 SER A O 1 +ATOM 3320 C CB A SER A 1 270 ? 27.455 -68.623 -28.656 0.40 67.17 ? 270 SER A CB 1 +ATOM 3321 C CB B SER A 1 270 ? 27.477 -68.627 -28.626 0.60 67.30 ? 270 SER A CB 1 +ATOM 3322 O OG A SER A 1 270 ? 26.356 -69.181 -27.981 0.40 69.65 ? 270 SER A OG 1 +ATOM 3323 O OG B SER A 1 270 ? 26.302 -69.078 -27.998 0.60 69.82 ? 270 SER A OG 1 +ATOM 3324 N N A LEU A 1 271 ? 25.843 -65.959 -27.454 0.40 51.91 ? 271 LEU A N 1 +ATOM 3325 N N B LEU A 1 271 ? 25.871 -66.000 -27.466 0.60 51.82 ? 271 LEU A N 1 +ATOM 3326 C CA A LEU A 1 271 ? 24.901 -64.852 -27.533 0.40 52.42 ? 271 LEU A CA 1 +ATOM 3327 C CA B LEU A 1 271 ? 24.913 -64.902 -27.544 0.60 52.27 ? 271 LEU A CA 1 +ATOM 3328 C C A LEU A 1 271 ? 25.623 -63.528 -27.780 0.40 52.22 ? 271 LEU A C 1 +ATOM 3329 C C B LEU A 1 271 ? 25.620 -63.578 -27.812 0.60 52.32 ? 271 LEU A C 1 +ATOM 3330 O O A LEU A 1 271 ? 25.277 -62.775 -28.700 0.40 51.56 ? 271 LEU A O 1 +ATOM 3331 O O B LEU A 1 271 ? 25.303 -62.867 -28.774 0.60 51.81 ? 271 LEU A O 1 +ATOM 3332 C CB A LEU A 1 271 ? 24.088 -64.784 -26.237 0.40 50.76 ? 271 LEU A CB 1 +ATOM 3333 C CB B LEU A 1 271 ? 24.120 -64.823 -26.242 0.60 50.60 ? 271 LEU A CB 1 +ATOM 3334 C CG A LEU A 1 271 ? 23.243 -63.524 -26.062 0.40 65.20 ? 271 LEU A CG 1 +ATOM 3335 C CG B LEU A 1 271 ? 23.296 -63.557 -26.034 0.60 65.22 ? 271 LEU A CG 1 +ATOM 3336 C CD1 A LEU A 1 271 ? 22.157 -63.459 -27.134 0.40 72.51 ? 271 LEU A CD1 1 +ATOM 3337 C CD1 B LEU A 1 271 ? 22.200 -63.430 -27.088 0.60 72.68 ? 271 LEU A CD1 1 +ATOM 3338 C CD2 A LEU A 1 271 ? 22.648 -63.496 -24.684 0.40 67.09 ? 271 LEU A CD2 1 +ATOM 3339 C CD2 B LEU A 1 271 ? 22.714 -63.582 -24.661 0.60 67.08 ? 271 LEU A CD2 1 +ATOM 3340 N N A HIS A 1 272 ? 26.630 -63.218 -26.955 0.40 47.85 ? 272 HIS A N 1 +ATOM 3341 N N B HIS A 1 272 ? 26.606 -63.245 -26.981 0.60 47.73 ? 272 HIS A N 1 +ATOM 3342 C CA A HIS A 1 272 ? 27.309 -61.940 -27.127 0.40 49.88 ? 272 HIS A CA 1 +ATOM 3343 C CA B HIS A 1 272 ? 27.302 -61.977 -27.161 0.60 49.95 ? 272 HIS A CA 1 +ATOM 3344 C C A HIS A 1 272 ? 28.138 -61.913 -28.401 0.40 53.12 ? 272 HIS A C 1 +ATOM 3345 C C B HIS A 1 272 ? 28.115 -61.948 -28.450 0.60 53.35 ? 272 HIS A C 1 +ATOM 3346 O O A HIS A 1 272 ? 28.357 -60.838 -28.960 0.40 49.69 ? 272 HIS A O 1 +ATOM 3347 O O B HIS A 1 272 ? 28.283 -60.877 -29.038 0.60 49.70 ? 272 HIS A O 1 +ATOM 3348 C CB A HIS A 1 272 ? 28.165 -61.612 -25.905 0.40 47.23 ? 272 HIS A CB 1 +ATOM 3349 C CB B HIS A 1 272 ? 28.176 -61.686 -25.944 0.60 47.09 ? 272 HIS A CB 1 +ATOM 3350 C CG A HIS A 1 272 ? 27.364 -61.136 -24.731 0.40 51.33 ? 272 HIS A CG 1 +ATOM 3351 C CG B HIS A 1 272 ? 27.399 -61.190 -24.762 0.60 51.33 ? 272 HIS A CG 1 +ATOM 3352 N ND1 A HIS A 1 272 ? 26.840 -61.996 -23.786 0.40 47.68 ? 272 HIS A ND1 1 +ATOM 3353 N ND1 B HIS A 1 272 ? 26.937 -62.027 -23.768 0.60 47.63 ? 272 HIS A ND1 1 +ATOM 3354 C CD2 A HIS A 1 272 ? 26.965 -59.890 -24.369 0.40 47.08 ? 272 HIS A CD2 1 +ATOM 3355 C CD2 B HIS A 1 272 ? 26.976 -59.945 -24.433 0.60 47.02 ? 272 HIS A CD2 1 +ATOM 3356 C CE1 A HIS A 1 272 ? 26.184 -61.298 -22.875 0.40 49.20 ? 272 HIS A CE1 1 +ATOM 3357 C CE1 B HIS A 1 272 ? 26.283 -61.318 -22.866 0.60 49.05 ? 272 HIS A CE1 1 +ATOM 3358 N NE2 A HIS A 1 272 ? 26.236 -60.019 -23.211 0.40 51.25 ? 272 HIS A NE2 1 +ATOM 3359 N NE2 B HIS A 1 272 ? 26.287 -60.052 -23.247 0.60 51.50 ? 272 HIS A NE2 1 +ATOM 3360 N N A PHE A 1 273 ? 28.597 -63.072 -28.882 0.40 49.49 ? 273 PHE A N 1 +ATOM 3361 N N B PHE A 1 273 ? 28.610 -63.098 -28.922 0.60 49.40 ? 273 PHE A N 1 +ATOM 3362 C CA A PHE A 1 273 ? 29.249 -63.093 -30.184 0.40 48.60 ? 273 PHE A CA 1 +ATOM 3363 C CA B PHE A 1 273 ? 29.299 -63.105 -30.210 0.60 48.57 ? 273 PHE A CA 1 +ATOM 3364 C C A PHE A 1 273 ? 28.259 -62.756 -31.288 0.40 48.03 ? 273 PHE A C 1 +ATOM 3365 C C B PHE A 1 273 ? 28.337 -62.770 -31.342 0.60 48.01 ? 273 PHE A C 1 +ATOM 3366 O O A PHE A 1 273 ? 28.589 -62.007 -32.215 0.40 49.13 ? 273 PHE A O 1 +ATOM 3367 O O B PHE A 1 273 ? 28.690 -62.026 -32.262 0.60 49.25 ? 273 PHE A O 1 +ATOM 3368 C CB A PHE A 1 273 ? 29.888 -64.457 -30.470 0.40 47.04 ? 273 PHE A CB 1 +ATOM 3369 C CB B PHE A 1 273 ? 29.968 -64.457 -30.476 0.60 46.88 ? 273 PHE A CB 1 +ATOM 3370 C CG A PHE A 1 273 ? 30.342 -64.610 -31.906 0.40 49.78 ? 273 PHE A CG 1 +ATOM 3371 C CG B PHE A 1 273 ? 30.401 -64.641 -31.916 0.60 49.70 ? 273 PHE A CG 1 +ATOM 3372 C CD1 A PHE A 1 273 ? 31.422 -63.873 -32.388 0.40 51.91 ? 273 PHE A CD1 1 +ATOM 3373 C CD1 B PHE A 1 273 ? 31.485 -63.933 -32.428 0.60 51.92 ? 273 PHE A CD1 1 +ATOM 3374 C CD2 A PHE A 1 273 ? 29.673 -65.458 -32.781 0.40 53.38 ? 273 PHE A CD2 1 +ATOM 3375 C CD2 B PHE A 1 273 ? 29.711 -65.494 -32.759 0.60 53.34 ? 273 PHE A CD2 1 +ATOM 3376 C CE1 A PHE A 1 273 ? 31.845 -64.001 -33.699 0.40 49.11 ? 273 PHE A CE1 1 +ATOM 3377 C CE1 B PHE A 1 273 ? 31.879 -64.084 -33.744 0.60 49.02 ? 273 PHE A CE1 1 +ATOM 3378 C CE2 A PHE A 1 273 ? 30.088 -65.585 -34.092 0.40 57.35 ? 273 PHE A CE2 1 +ATOM 3379 C CE2 B PHE A 1 273 ? 30.100 -65.654 -34.079 0.60 57.35 ? 273 PHE A CE2 1 +ATOM 3380 C CZ A PHE A 1 273 ? 31.177 -64.851 -34.553 0.40 52.07 ? 273 PHE A CZ 1 +ATOM 3381 C CZ B PHE A 1 273 ? 31.188 -64.946 -34.573 0.60 52.03 ? 273 PHE A CZ 1 +ATOM 3382 N N A PHE A 1 274 ? 27.054 -63.327 -31.219 0.40 47.05 ? 274 PHE A N 1 +ATOM 3383 N N B PHE A 1 274 ? 27.126 -63.330 -31.293 0.60 46.99 ? 274 PHE A N 1 +ATOM 3384 C CA A PHE A 1 274 ? 26.020 -63.011 -32.197 0.40 51.68 ? 274 PHE A CA 1 +ATOM 3385 C CA B PHE A 1 274 ? 26.095 -63.009 -32.272 0.60 51.57 ? 274 PHE A CA 1 +ATOM 3386 C C A PHE A 1 274 ? 25.689 -61.513 -32.187 0.40 51.06 ? 274 PHE A C 1 +ATOM 3387 C C B PHE A 1 274 ? 25.740 -61.516 -32.240 0.60 51.13 ? 274 PHE A C 1 +ATOM 3388 O O A PHE A 1 274 ? 25.539 -60.897 -33.250 0.40 46.92 ? 274 PHE A O 1 +ATOM 3389 O O B PHE A 1 274 ? 25.562 -60.891 -33.295 0.60 46.85 ? 274 PHE A O 1 +ATOM 3390 C CB A PHE A 1 274 ? 24.783 -63.864 -31.903 0.40 49.30 ? 274 PHE A CB 1 +ATOM 3391 C CB B PHE A 1 274 ? 24.874 -63.891 -31.996 0.60 49.14 ? 274 PHE A CB 1 +ATOM 3392 C CG A PHE A 1 274 ? 23.616 -63.607 -32.823 0.40 52.86 ? 274 PHE A CG 1 +ATOM 3393 C CG B PHE A 1 274 ? 23.699 -63.631 -32.895 0.60 52.64 ? 274 PHE A CG 1 +ATOM 3394 C CD1 A PHE A 1 274 ? 23.547 -64.207 -34.065 0.40 56.19 ? 274 PHE A CD1 1 +ATOM 3395 C CD1 B PHE A 1 274 ? 23.634 -64.195 -34.152 0.60 56.21 ? 274 PHE A CD1 1 +ATOM 3396 C CD2 A PHE A 1 274 ? 22.566 -62.785 -32.417 0.40 56.24 ? 274 PHE A CD2 1 +ATOM 3397 C CD2 B PHE A 1 274 ? 22.639 -62.851 -32.459 0.60 56.35 ? 274 PHE A CD2 1 +ATOM 3398 C CE1 A PHE A 1 274 ? 22.464 -63.986 -34.914 0.40 62.32 ? 274 PHE A CE1 1 +ATOM 3399 C CE1 B PHE A 1 274 ? 22.541 -63.969 -34.979 0.60 62.39 ? 274 PHE A CE1 1 +ATOM 3400 C CE2 A PHE A 1 274 ? 21.480 -62.562 -33.252 0.40 60.50 ? 274 PHE A CE2 1 +ATOM 3401 C CE2 B PHE A 1 274 ? 21.543 -62.626 -33.272 0.60 60.62 ? 274 PHE A CE2 1 +ATOM 3402 C CZ A PHE A 1 274 ? 21.429 -63.164 -34.512 0.40 55.47 ? 274 PHE A CZ 1 +ATOM 3403 C CZ B PHE A 1 274 ? 21.492 -63.188 -34.537 0.60 55.48 ? 274 PHE A CZ 1 +ATOM 3404 N N A LEU A 1 275 ? 25.573 -60.918 -30.992 0.40 47.75 ? 275 LEU A N 1 +ATOM 3405 N N B LEU A 1 275 ? 25.634 -60.931 -31.035 0.60 47.72 ? 275 LEU A N 1 +ATOM 3406 C CA A LEU A 1 275 ? 25.337 -59.480 -30.883 0.40 44.64 ? 275 LEU A CA 1 +ATOM 3407 C CA B LEU A 1 275 ? 25.379 -59.495 -30.919 0.60 44.53 ? 275 LEU A CA 1 +ATOM 3408 C C A LEU A 1 275 ? 26.457 -58.692 -31.545 0.40 48.77 ? 275 LEU A C 1 +ATOM 3409 C C B LEU A 1 275 ? 26.482 -58.688 -31.588 0.60 48.91 ? 275 LEU A C 1 +ATOM 3410 O O A LEU A 1 275 ? 26.200 -57.677 -32.193 0.40 45.90 ? 275 LEU A O 1 +ATOM 3411 O O B LEU A 1 275 ? 26.212 -57.669 -32.227 0.60 45.88 ? 275 LEU A O 1 +ATOM 3412 C CB A LEU A 1 275 ? 25.199 -59.054 -29.412 0.40 46.08 ? 275 LEU A CB 1 +ATOM 3413 C CB B LEU A 1 275 ? 25.249 -59.074 -29.448 0.60 46.10 ? 275 LEU A CB 1 +ATOM 3414 C CG A LEU A 1 275 ? 24.010 -59.548 -28.582 0.40 48.86 ? 275 LEU A CG 1 +ATOM 3415 C CG B LEU A 1 275 ? 24.065 -59.551 -28.600 0.60 48.89 ? 275 LEU A CG 1 +ATOM 3416 C CD1 A LEU A 1 275 ? 24.027 -58.988 -27.171 0.40 45.02 ? 275 LEU A CD1 1 +ATOM 3417 C CD1 B LEU A 1 275 ? 24.103 -58.962 -27.186 0.60 45.03 ? 275 LEU A CD1 1 +ATOM 3418 C CD2 A LEU A 1 275 ? 22.683 -59.262 -29.244 0.40 47.32 ? 275 LEU A CD2 1 +ATOM 3419 C CD2 B LEU A 1 275 ? 22.734 -59.246 -29.271 0.60 47.37 ? 275 LEU A CD2 1 +ATOM 3420 N N A ALA A 1 276 ? 27.710 -59.126 -31.378 0.40 47.92 ? 276 ALA A N 1 +ATOM 3421 N N B ALA A 1 276 ? 27.734 -59.128 -31.455 0.60 48.12 ? 276 ALA A N 1 +ATOM 3422 C CA A ALA A 1 276 ? 28.810 -58.451 -32.065 0.40 49.26 ? 276 ALA A CA 1 +ATOM 3423 C CA B ALA A 1 276 ? 28.825 -58.440 -32.143 0.60 49.18 ? 276 ALA A CA 1 +ATOM 3424 C C A ALA A 1 276 ? 28.689 -58.593 -33.575 0.40 50.43 ? 276 ALA A C 1 +ATOM 3425 C C B ALA A 1 276 ? 28.734 -58.624 -33.651 0.60 50.59 ? 276 ALA A C 1 +ATOM 3426 O O A ALA A 1 276 ? 28.765 -57.603 -34.309 0.40 52.46 ? 276 ALA A O 1 +ATOM 3427 O O B ALA A 1 276 ? 28.860 -57.658 -34.407 0.60 53.15 ? 276 ALA A O 1 +ATOM 3428 C CB A ALA A 1 276 ? 30.154 -58.999 -31.600 0.40 50.22 ? 276 ALA A CB 1 +ATOM 3429 C CB B ALA A 1 276 ? 30.176 -58.940 -31.633 0.60 50.20 ? 276 ALA A CB 1 +ATOM 3430 N N A ALA A 1 277 ? 28.470 -59.821 -34.054 0.40 50.28 ? 277 ALA A N 1 +ATOM 3431 N N B ALA A 1 277 ? 28.498 -59.862 -34.110 0.60 50.28 ? 277 ALA A N 1 +ATOM 3432 C CA A ALA A 1 277 ? 28.688 -60.140 -35.462 0.40 50.07 ? 277 ALA A CA 1 +ATOM 3433 C CA B ALA A 1 277 ? 28.733 -60.186 -35.517 0.60 50.08 ? 277 ALA A CA 1 +ATOM 3434 C C A ALA A 1 277 ? 27.589 -59.594 -36.375 0.40 49.22 ? 277 ALA A C 1 +ATOM 3435 C C B ALA A 1 277 ? 27.656 -59.609 -36.433 0.60 49.26 ? 277 ALA A C 1 +ATOM 3436 O O A ALA A 1 277 ? 27.868 -59.192 -37.509 0.40 48.61 ? 277 ALA A O 1 +ATOM 3437 O O B ALA A 1 277 ? 27.960 -59.150 -37.540 0.60 48.69 ? 277 ALA A O 1 +ATOM 3438 C CB A ALA A 1 277 ? 28.797 -61.657 -35.643 0.40 50.89 ? 277 ALA A CB 1 +ATOM 3439 C CB B ALA A 1 277 ? 28.820 -61.703 -35.697 0.60 50.80 ? 277 ALA A CB 1 +ATOM 3440 N N A TRP A 1 278 ? 26.336 -59.646 -35.942 0.40 48.91 ? 278 TRP A N 1 +ATOM 3441 N N B TRP A 1 278 ? 26.391 -59.661 -36.015 0.60 48.95 ? 278 TRP A N 1 +ATOM 3442 C CA A TRP A 1 278 ? 25.252 -59.300 -36.857 0.40 49.55 ? 278 TRP A CA 1 +ATOM 3443 C CA B TRP A 1 278 ? 25.304 -59.306 -36.924 0.60 49.53 ? 278 TRP A CA 1 +ATOM 3444 C C A TRP A 1 278 ? 25.350 -57.856 -37.334 0.40 47.84 ? 278 TRP A C 1 +ATOM 3445 C C B TRP A 1 278 ? 25.413 -57.867 -37.412 0.60 47.85 ? 278 TRP A C 1 +ATOM 3446 O O A TRP A 1 278 ? 25.330 -57.633 -38.555 0.40 49.13 ? 278 TRP A O 1 +ATOM 3447 O O B TRP A 1 278 ? 25.448 -57.651 -38.633 0.60 49.45 ? 278 TRP A O 1 +ATOM 3448 C CB A TRP A 1 278 ? 23.895 -59.594 -36.206 0.40 48.13 ? 278 TRP A CB 1 +ATOM 3449 C CB B TRP A 1 278 ? 23.952 -59.586 -36.262 0.60 48.15 ? 278 TRP A CB 1 +ATOM 3450 C CG A TRP A 1 278 ? 22.747 -59.242 -37.106 0.40 53.41 ? 278 TRP A CG 1 +ATOM 3451 C CG B TRP A 1 278 ? 22.804 -59.249 -37.166 0.60 53.49 ? 278 TRP A CG 1 +ATOM 3452 C CD1 A TRP A 1 278 ? 22.248 -57.987 -37.368 0.40 48.43 ? 278 TRP A CD1 1 +ATOM 3453 C CD1 B TRP A 1 278 ? 22.304 -58.001 -37.443 0.60 48.38 ? 278 TRP A CD1 1 +ATOM 3454 C CD2 A TRP A 1 278 ? 21.949 -60.155 -37.864 0.40 57.53 ? 278 TRP A CD2 1 +ATOM 3455 C CD2 B TRP A 1 278 ? 22.023 -60.170 -37.930 0.60 57.68 ? 278 TRP A CD2 1 +ATOM 3456 N NE1 A TRP A 1 278 ? 21.193 -58.071 -38.240 0.40 48.42 ? 278 TRP A NE1 1 +ATOM 3457 N NE1 B TRP A 1 278 ? 21.259 -58.095 -38.328 0.60 48.35 ? 278 TRP A NE1 1 +ATOM 3458 C CE2 A TRP A 1 278 ? 20.990 -59.388 -38.567 0.40 53.31 ? 278 TRP A CE2 1 +ATOM 3459 C CE2 B TRP A 1 278 ? 21.067 -59.412 -38.650 0.60 53.36 ? 278 TRP A CE2 1 +ATOM 3460 C CE3 A TRP A 1 278 ? 21.950 -61.551 -38.020 0.40 58.18 ? 278 TRP A CE3 1 +ATOM 3461 C CE3 B TRP A 1 278 ? 22.039 -61.564 -38.085 0.60 58.21 ? 278 TRP A CE3 1 +ATOM 3462 C CZ2 A TRP A 1 278 ? 20.048 -59.970 -39.417 0.40 52.72 ? 278 TRP A CZ2 1 +ATOM 3463 C CZ2 B TRP A 1 278 ? 20.133 -60.004 -39.500 0.60 52.69 ? 278 TRP A CZ2 1 +ATOM 3464 C CZ3 A TRP A 1 278 ? 21.010 -62.128 -38.858 0.40 58.87 ? 278 TRP A CZ3 1 +ATOM 3465 C CZ3 B TRP A 1 278 ? 21.113 -62.148 -38.929 0.60 58.78 ? 278 TRP A CZ3 1 +ATOM 3466 C CH2 A TRP A 1 278 ? 20.068 -61.339 -39.545 0.40 61.55 ? 278 TRP A CH2 1 +ATOM 3467 C CH2 B TRP A 1 278 ? 20.171 -61.369 -39.626 0.60 61.60 ? 278 TRP A CH2 1 +ATOM 3468 N N A PRO A 1 279 ? 25.472 -56.845 -36.470 0.40 49.03 ? 279 PRO A N 1 +ATOM 3469 N N B PRO A 1 279 ? 25.472 -56.850 -36.547 0.60 49.00 ? 279 PRO A N 1 +ATOM 3470 C CA A PRO A 1 279 ? 25.595 -55.488 -37.007 0.40 43.34 ? 279 PRO A CA 1 +ATOM 3471 C CA B PRO A 1 279 ? 25.603 -55.489 -37.075 0.60 43.21 ? 279 PRO A CA 1 +ATOM 3472 C C A PRO A 1 279 ? 26.928 -55.254 -37.690 0.40 48.12 ? 279 PRO A C 1 +ATOM 3473 C C B PRO A 1 279 ? 26.943 -55.242 -37.733 0.60 48.25 ? 279 PRO A C 1 +ATOM 3474 O O A PRO A 1 279 ? 26.981 -54.522 -38.679 0.40 46.20 ? 279 PRO A O 1 +ATOM 3475 O O B PRO A 1 279 ? 27.008 -54.467 -38.695 0.60 46.32 ? 279 PRO A O 1 +ATOM 3476 C CB A PRO A 1 279 ? 25.404 -54.592 -35.772 0.40 43.95 ? 279 PRO A CB 1 +ATOM 3477 C CB B PRO A 1 279 ? 25.406 -54.613 -35.829 0.60 43.90 ? 279 PRO A CB 1 +ATOM 3478 C CG A PRO A 1 279 ? 25.764 -55.456 -34.610 0.40 43.86 ? 279 PRO A CG 1 +ATOM 3479 C CG B PRO A 1 279 ? 25.883 -55.463 -34.714 0.60 43.73 ? 279 PRO A CG 1 +ATOM 3480 C CD A PRO A 1 279 ? 25.340 -56.839 -34.997 0.40 46.86 ? 279 PRO A CD 1 +ATOM 3481 C CD B PRO A 1 279 ? 25.400 -56.842 -35.071 0.60 47.01 ? 279 PRO A CD 1 +ATOM 3482 N N A VAL A 1 280 ? 28.008 -55.869 -37.221 0.40 43.14 ? 280 VAL A N 1 +ATOM 3483 N N B VAL A 1 280 ? 28.018 -55.878 -37.269 0.60 43.10 ? 280 VAL A N 1 +ATOM 3484 C CA A VAL A 1 280 ? 29.309 -55.589 -37.821 0.40 47.54 ? 280 VAL A CA 1 +ATOM 3485 C CA B VAL A 1 280 ? 29.321 -55.603 -37.870 0.60 47.52 ? 280 VAL A CA 1 +ATOM 3486 C C A VAL A 1 280 ? 29.360 -56.111 -39.253 0.40 48.36 ? 280 VAL A C 1 +ATOM 3487 C C B VAL A 1 280 ? 29.369 -56.132 -39.300 0.60 48.44 ? 280 VAL A C 1 +ATOM 3488 O O A VAL A 1 280 ? 29.773 -55.398 -40.177 0.40 50.80 ? 280 VAL A O 1 +ATOM 3489 O O B VAL A 1 280 ? 29.790 -55.427 -40.226 0.60 51.08 ? 280 VAL A O 1 +ATOM 3490 C CB A VAL A 1 280 ? 30.434 -56.164 -36.936 0.40 53.70 ? 280 VAL A CB 1 +ATOM 3491 C CB B VAL A 1 280 ? 30.457 -56.181 -37.003 0.60 53.94 ? 280 VAL A CB 1 +ATOM 3492 C CG1 A VAL A 1 280 ? 31.761 -56.248 -37.695 0.40 45.20 ? 280 VAL A CG1 1 +ATOM 3493 C CG1 B VAL A 1 280 ? 31.767 -56.205 -37.789 0.60 45.11 ? 280 VAL A CG1 1 +ATOM 3494 C CG2 A VAL A 1 280 ? 30.585 -55.300 -35.676 0.40 43.48 ? 280 VAL A CG2 1 +ATOM 3495 C CG2 B VAL A 1 280 ? 30.619 -55.351 -35.720 0.60 43.43 ? 280 VAL A CG2 1 +ATOM 3496 N N A VAL A 1 281 ? 28.888 -57.343 -39.472 0.40 46.20 ? 281 VAL A N 1 +ATOM 3497 N N B VAL A 1 281 ? 28.918 -57.372 -39.506 0.60 46.23 ? 281 VAL A N 1 +ATOM 3498 C CA A VAL A 1 281 ? 28.878 -57.906 -40.822 0.40 48.70 ? 281 VAL A CA 1 +ATOM 3499 C CA B VAL A 1 281 ? 28.888 -57.928 -40.857 0.60 48.70 ? 281 VAL A CA 1 +ATOM 3500 C C A VAL A 1 281 ? 27.927 -57.127 -41.733 0.40 47.21 ? 281 VAL A C 1 +ATOM 3501 C C B VAL A 1 281 ? 27.938 -57.125 -41.736 0.60 47.23 ? 281 VAL A C 1 +ATOM 3502 O O A VAL A 1 281 ? 28.240 -56.855 -42.899 0.40 45.45 ? 281 VAL A O 1 +ATOM 3503 O O B VAL A 1 281 ? 28.240 -56.832 -42.897 0.60 45.37 ? 281 VAL A O 1 +ATOM 3504 C CB A VAL A 1 281 ? 28.514 -59.406 -40.779 0.40 55.22 ? 281 VAL A CB 1 +ATOM 3505 C CB B VAL A 1 281 ? 28.499 -59.423 -40.828 0.60 55.35 ? 281 VAL A CB 1 +ATOM 3506 C CG1 A VAL A 1 281 ? 28.258 -59.952 -42.205 0.40 50.51 ? 281 VAL A CG1 1 +ATOM 3507 C CG1 B VAL A 1 281 ? 28.353 -59.968 -42.259 0.60 50.32 ? 281 VAL A CG1 1 +ATOM 3508 C CG2 A VAL A 1 281 ? 29.613 -60.210 -40.085 0.40 50.89 ? 281 VAL A CG2 1 +ATOM 3509 C CG2 B VAL A 1 281 ? 29.534 -60.247 -40.053 0.60 50.86 ? 281 VAL A CG2 1 +ATOM 3510 N N A GLY A 1 282 ? 26.743 -56.786 -41.234 0.40 45.76 ? 282 GLY A N 1 +ATOM 3511 N N B GLY A 1 282 ? 26.775 -56.753 -41.198 0.60 45.59 ? 282 GLY A N 1 +ATOM 3512 C CA A GLY A 1 282 ? 25.840 -55.970 -42.027 0.40 48.93 ? 282 GLY A CA 1 +ATOM 3513 C CA B GLY A 1 282 ? 25.846 -55.955 -41.980 0.60 48.97 ? 282 GLY A CA 1 +ATOM 3514 C C A GLY A 1 282 ? 26.461 -54.654 -42.461 0.40 49.97 ? 282 GLY A C 1 +ATOM 3515 C C B GLY A 1 282 ? 26.453 -54.644 -42.437 0.60 50.13 ? 282 GLY A C 1 +ATOM 3516 O O A GLY A 1 282 ? 26.322 -54.246 -43.618 0.40 46.65 ? 282 GLY A O 1 +ATOM 3517 O O B GLY A 1 282 ? 26.275 -54.235 -43.586 0.60 46.66 ? 282 GLY A O 1 +ATOM 3518 N N A VAL A 1 283 ? 27.166 -53.973 -41.544 0.40 47.10 ? 283 VAL A N 1 +ATOM 3519 N N B VAL A 1 283 ? 27.187 -53.968 -41.543 0.60 47.11 ? 283 VAL A N 1 +ATOM 3520 C CA A VAL A 1 283 ? 27.718 -52.663 -41.902 0.40 46.43 ? 283 VAL A CA 1 +ATOM 3521 C CA B VAL A 1 283 ? 27.728 -52.658 -41.891 0.60 46.43 ? 283 VAL A CA 1 +ATOM 3522 C C A VAL A 1 283 ? 28.917 -52.805 -42.844 0.40 44.32 ? 283 VAL A C 1 +ATOM 3523 C C B VAL A 1 283 ? 28.918 -52.801 -42.835 0.60 44.23 ? 283 VAL A C 1 +ATOM 3524 O O A VAL A 1 283 ? 29.135 -51.946 -43.709 0.40 51.74 ? 283 VAL A O 1 +ATOM 3525 O O B VAL A 1 283 ? 29.138 -51.941 -43.697 0.60 52.01 ? 283 VAL A O 1 +ATOM 3526 C CB A VAL A 1 283 ? 28.035 -51.854 -40.628 0.40 47.37 ? 283 VAL A CB 1 +ATOM 3527 C CB B VAL A 1 283 ? 28.051 -51.869 -40.605 0.60 47.48 ? 283 VAL A CB 1 +ATOM 3528 C CG1 A VAL A 1 283 ? 28.914 -50.609 -40.922 0.40 38.83 ? 283 VAL A CG1 1 +ATOM 3529 C CG1 B VAL A 1 283 ? 28.881 -50.597 -40.895 0.60 38.63 ? 283 VAL A CG1 1 +ATOM 3530 C CG2 A VAL A 1 283 ? 26.734 -51.416 -40.005 0.40 41.57 ? 283 VAL A CG2 1 +ATOM 3531 C CG2 B VAL A 1 283 ? 26.751 -51.502 -39.923 0.60 41.64 ? 283 VAL A CG2 1 +ATOM 3532 N N . TRP A 1 284 ? 29.674 -53.899 -42.724 1.00 43.08 ? 284 TRP A N 1 +ATOM 3533 C CA . TRP A 1 284 ? 30.683 -54.213 -43.734 1.00 45.90 ? 284 TRP A CA 1 +ATOM 3534 C C . TRP A 1 284 ? 30.063 -54.277 -45.130 1.00 54.26 ? 284 TRP A C 1 +ATOM 3535 O O . TRP A 1 284 ? 30.624 -53.737 -46.093 1.00 49.72 ? 284 TRP A O 1 +ATOM 3536 C CB . TRP A 1 284 ? 31.353 -55.552 -43.423 1.00 48.73 ? 284 TRP A CB 1 +ATOM 3537 C CG . TRP A 1 284 ? 32.434 -55.497 -42.399 1.00 49.83 ? 284 TRP A CG 1 +ATOM 3538 C CD1 . TRP A 1 284 ? 33.140 -54.396 -41.987 1.00 52.33 ? 284 TRP A CD1 1 +ATOM 3539 C CD2 . TRP A 1 284 ? 32.950 -56.604 -41.665 1.00 44.51 ? 284 TRP A CD2 1 +ATOM 3540 N NE1 . TRP A 1 284 ? 34.051 -54.757 -41.016 1.00 45.62 ? 284 TRP A NE1 1 +ATOM 3541 C CE2 . TRP A 1 284 ? 33.963 -56.109 -40.811 1.00 46.88 ? 284 TRP A CE2 1 +ATOM 3542 C CE3 . TRP A 1 284 ? 32.652 -57.974 -41.644 1.00 49.02 ? 284 TRP A CE3 1 +ATOM 3543 C CZ2 . TRP A 1 284 ? 34.674 -56.932 -39.943 1.00 49.88 ? 284 TRP A CZ2 1 +ATOM 3544 C CZ3 . TRP A 1 284 ? 33.362 -58.791 -40.777 1.00 59.35 ? 284 TRP A CZ3 1 +ATOM 3545 C CH2 . TRP A 1 284 ? 34.355 -58.260 -39.931 1.00 50.76 ? 284 TRP A CH2 1 +ATOM 3546 N N A PHE A 1 285 ? 28.900 -54.934 -45.264 0.40 45.20 ? 285 PHE A N 1 +ATOM 3547 N N B PHE A 1 285 ? 28.915 -54.949 -45.260 0.60 45.10 ? 285 PHE A N 1 +ATOM 3548 C CA A PHE A 1 285 ? 28.248 -55.001 -46.567 0.40 46.33 ? 285 PHE A CA 1 +ATOM 3549 C CA B PHE A 1 285 ? 28.260 -55.013 -46.559 0.60 46.25 ? 285 PHE A CA 1 +ATOM 3550 C C A PHE A 1 285 ? 27.777 -53.627 -47.020 0.40 46.51 ? 285 PHE A C 1 +ATOM 3551 C C B PHE A 1 285 ? 27.801 -53.639 -47.022 0.60 46.46 ? 285 PHE A C 1 +ATOM 3552 O O A PHE A 1 285 ? 27.935 -53.275 -48.192 0.40 50.36 ? 285 PHE A O 1 +ATOM 3553 O O B PHE A 1 285 ? 27.931 -53.311 -48.205 0.60 50.56 ? 285 PHE A O 1 +ATOM 3554 C CB A PHE A 1 285 ? 27.088 -55.999 -46.537 0.40 53.64 ? 285 PHE A CB 1 +ATOM 3555 C CB B PHE A 1 285 ? 27.091 -55.995 -46.513 0.60 53.74 ? 285 PHE A CB 1 +ATOM 3556 C CG A PHE A 1 285 ? 27.530 -57.437 -46.695 0.40 56.07 ? 285 PHE A CG 1 +ATOM 3557 C CG B PHE A 1 285 ? 27.518 -57.428 -46.657 0.60 56.08 ? 285 PHE A CG 1 +ATOM 3558 C CD1 A PHE A 1 285 ? 28.203 -57.848 -47.843 0.40 54.71 ? 285 PHE A CD1 1 +ATOM 3559 C CD1 B PHE A 1 285 ? 28.183 -57.849 -47.803 0.60 54.73 ? 285 PHE A CD1 1 +ATOM 3560 C CD2 A PHE A 1 285 ? 27.290 -58.370 -45.694 0.40 56.87 ? 285 PHE A CD2 1 +ATOM 3561 C CD2 B PHE A 1 285 ? 27.270 -58.350 -45.649 0.60 56.91 ? 285 PHE A CD2 1 +ATOM 3562 C CE1 A PHE A 1 285 ? 28.621 -59.182 -47.991 0.40 64.83 ? 285 PHE A CE1 1 +ATOM 3563 C CE1 B PHE A 1 285 ? 28.589 -59.173 -47.939 0.60 65.01 ? 285 PHE A CE1 1 +ATOM 3564 C CE2 A PHE A 1 285 ? 27.702 -59.701 -45.834 0.40 53.22 ? 285 PHE A CE2 1 +ATOM 3565 C CE2 B PHE A 1 285 ? 27.668 -59.677 -45.785 0.60 53.14 ? 285 PHE A CE2 1 +ATOM 3566 C CZ A PHE A 1 285 ? 28.374 -60.097 -46.979 0.40 60.44 ? 285 PHE A CZ 1 +ATOM 3567 C CZ B PHE A 1 285 ? 28.333 -60.080 -46.924 0.60 60.38 ? 285 PHE A CZ 1 +ATOM 3568 N N A ALA A 1 286 ? 27.220 -52.827 -46.101 0.40 45.83 ? 286 ALA A N 1 +ATOM 3569 N N B ALA A 1 286 ? 27.277 -52.816 -46.106 0.60 45.91 ? 286 ALA A N 1 +ATOM 3570 C CA A ALA A 1 286 ? 26.860 -51.452 -46.442 0.40 47.34 ? 286 ALA A CA 1 +ATOM 3571 C CA B ALA A 1 286 ? 26.909 -51.449 -46.469 0.60 47.40 ? 286 ALA A CA 1 +ATOM 3572 C C A ALA A 1 286 ? 28.064 -50.685 -46.965 0.40 42.73 ? 286 ALA A C 1 +ATOM 3573 C C B ALA A 1 286 ? 28.114 -50.679 -46.989 0.60 42.68 ? 286 ALA A C 1 +ATOM 3574 O O A ALA A 1 286 ? 27.987 -50.040 -48.014 0.40 42.08 ? 286 ALA A O 1 +ATOM 3575 O O B ALA A 1 286 ? 28.042 -50.036 -48.036 0.60 41.96 ? 286 ALA A O 1 +ATOM 3576 C CB A ALA A 1 286 ? 26.262 -50.735 -45.234 0.40 42.74 ? 286 ALA A CB 1 +ATOM 3577 C CB B ALA A 1 286 ? 26.289 -50.721 -45.274 0.60 42.70 ? 286 ALA A CB 1 +ATOM 3578 N N A ALA A 1 287 ? 29.190 -50.737 -46.241 0.40 45.58 ? 287 ALA A N 1 +ATOM 3579 N N B ALA A 1 287 ? 29.235 -50.728 -46.262 0.60 45.69 ? 287 ALA A N 1 +ATOM 3580 C CA A ALA A 1 287 ? 30.400 -50.053 -46.706 0.40 43.25 ? 287 ALA A CA 1 +ATOM 3581 C CA B ALA A 1 287 ? 30.443 -50.051 -46.733 0.60 43.24 ? 287 ALA A CA 1 +ATOM 3582 C C A ALA A 1 287 ? 30.848 -50.574 -48.072 0.40 49.22 ? 287 ALA A C 1 +ATOM 3583 C C B ALA A 1 287 ? 30.880 -50.578 -48.103 0.60 49.33 ? 287 ALA A C 1 +ATOM 3584 O O A ALA A 1 287 ? 31.346 -49.809 -48.907 0.40 42.71 ? 287 ALA A O 1 +ATOM 3585 O O B ALA A 1 287 ? 31.345 -49.810 -48.953 0.60 42.60 ? 287 ALA A O 1 +ATOM 3586 C CB A ALA A 1 287 ? 31.522 -50.211 -45.678 0.40 41.51 ? 287 ALA A CB 1 +ATOM 3587 C CB B ALA A 1 287 ? 31.559 -50.213 -45.701 0.60 41.45 ? 287 ALA A CB 1 +ATOM 3588 N N A LEU A 1 288 ? 30.687 -51.881 -48.313 0.40 40.64 ? 288 LEU A N 1 +ATOM 3589 N N B LEU A 1 288 ? 30.729 -51.888 -48.336 0.60 40.39 ? 288 LEU A N 1 +ATOM 3590 C CA A LEU A 1 288 ? 31.104 -52.445 -49.587 0.40 49.18 ? 288 LEU A CA 1 +ATOM 3591 C CA B LEU A 1 288 ? 31.115 -52.454 -49.622 0.60 49.34 ? 288 LEU A CA 1 +ATOM 3592 C C A LEU A 1 288 ? 30.116 -52.089 -50.681 0.40 48.58 ? 288 LEU A C 1 +ATOM 3593 C C B LEU A 1 288 ? 30.133 -52.054 -50.711 0.60 48.68 ? 288 LEU A C 1 +ATOM 3594 O O A LEU A 1 288 ? 30.486 -52.046 -51.859 0.40 47.55 ? 288 LEU A O 1 +ATOM 3595 O O B LEU A 1 288 ? 30.514 -51.956 -51.882 0.60 47.55 ? 288 LEU A O 1 +ATOM 3596 C CB A LEU A 1 288 ? 31.279 -53.976 -49.479 0.40 42.72 ? 288 LEU A CB 1 +ATOM 3597 C CB B LEU A 1 288 ? 31.234 -53.985 -49.530 0.60 42.47 ? 288 LEU A CB 1 +ATOM 3598 C CG A LEU A 1 288 ? 32.433 -54.458 -48.573 0.40 46.11 ? 288 LEU A CG 1 +ATOM 3599 C CG B LEU A 1 288 ? 32.358 -54.474 -48.598 0.60 46.17 ? 288 LEU A CG 1 +ATOM 3600 C CD1 A LEU A 1 288 ? 32.411 -55.971 -48.360 0.40 47.65 ? 288 LEU A CD1 1 +ATOM 3601 C CD1 B LEU A 1 288 ? 32.350 -55.987 -48.421 0.60 47.68 ? 288 LEU A CD1 1 +ATOM 3602 C CD2 A LEU A 1 288 ? 33.795 -54.046 -49.094 0.40 49.96 ? 288 LEU A CD2 1 +ATOM 3603 C CD2 B LEU A 1 288 ? 33.718 -54.009 -49.096 0.60 50.02 ? 288 LEU A CD2 1 +ATOM 3604 N N A GLY A 1 289 ? 28.862 -51.833 -50.319 0.40 46.99 ? 289 GLY A N 1 +ATOM 3605 N N B GLY A 1 289 ? 28.873 -51.814 -50.353 0.60 47.08 ? 289 GLY A N 1 +ATOM 3606 C CA A GLY A 1 289 ? 27.925 -51.309 -51.295 0.40 48.62 ? 289 GLY A CA 1 +ATOM 3607 C CA B GLY A 1 289 ? 27.943 -51.288 -51.337 0.60 48.59 ? 289 GLY A CA 1 +ATOM 3608 C C A GLY A 1 289 ? 28.402 -49.969 -51.818 0.40 47.77 ? 289 GLY A C 1 +ATOM 3609 C C B GLY A 1 289 ? 28.391 -49.940 -51.860 0.60 47.84 ? 289 GLY A C 1 +ATOM 3610 O O A GLY A 1 289 ? 28.562 -49.784 -53.034 0.40 49.25 ? 289 GLY A O 1 +ATOM 3611 O O B GLY A 1 289 ? 28.537 -49.743 -53.074 0.60 49.38 ? 289 GLY A O 1 +ATOM 3612 N N A ILE A 1 290 ? 28.659 -49.029 -50.904 0.40 49.26 ? 290 ILE A N 1 +ATOM 3613 N N B ILE A 1 290 ? 28.651 -49.001 -50.943 0.60 49.47 ? 290 ILE A N 1 +ATOM 3614 C CA A ILE A 1 290 ? 29.134 -47.715 -51.331 0.40 49.38 ? 290 ILE A CA 1 +ATOM 3615 C CA B ILE A 1 290 ? 29.126 -47.681 -51.350 0.60 49.42 ? 290 ILE A CA 1 +ATOM 3616 C C A ILE A 1 290 ? 30.427 -47.856 -52.116 0.40 47.32 ? 290 ILE A C 1 +ATOM 3617 C C B ILE A 1 290 ? 30.436 -47.804 -52.113 0.60 47.33 ? 290 ILE A C 1 +ATOM 3618 O O A ILE A 1 290 ? 30.609 -47.220 -53.162 0.40 47.80 ? 290 ILE A O 1 +ATOM 3619 O O B ILE A 1 290 ? 30.648 -47.129 -53.125 0.60 47.85 ? 290 ILE A O 1 +ATOM 3620 C CB A ILE A 1 290 ? 29.326 -46.777 -50.125 0.40 47.27 ? 290 ILE A CB 1 +ATOM 3621 C CB B ILE A 1 290 ? 29.280 -46.769 -50.119 0.60 47.36 ? 290 ILE A CB 1 +ATOM 3622 C CG1 A ILE A 1 290 ? 28.017 -46.633 -49.332 0.40 43.62 ? 290 ILE A CG1 1 +ATOM 3623 C CG1 B ILE A 1 290 ? 27.944 -46.653 -49.372 0.60 43.59 ? 290 ILE A CG1 1 +ATOM 3624 C CG2 A ILE A 1 290 ? 29.897 -45.402 -50.615 0.40 39.17 ? 290 ILE A CG2 1 +ATOM 3625 C CG2 B ILE A 1 290 ? 29.865 -45.395 -50.532 0.60 39.15 ? 290 ILE A CG2 1 +ATOM 3626 C CD1 A ILE A 1 290 ? 26.834 -46.108 -50.171 0.40 41.69 ? 290 ILE A CD1 1 +ATOM 3627 C CD1 B ILE A 1 290 ? 26.816 -46.092 -50.220 0.60 41.63 ? 290 ILE A CD1 1 +ATOM 3628 N N A SER A 1 291 ? 31.339 -48.699 -51.622 0.40 46.85 ? 291 SER A N 1 +ATOM 3629 N N B SER A 1 291 ? 31.329 -48.678 -51.641 0.60 46.89 ? 291 SER A N 1 +ATOM 3630 C CA A SER A 1 291 ? 32.654 -48.838 -52.232 0.40 49.94 ? 291 SER A CA 1 +ATOM 3631 C CA B SER A 1 291 ? 32.638 -48.820 -52.264 0.60 49.96 ? 291 SER A CA 1 +ATOM 3632 C C A SER A 1 291 ? 32.590 -49.478 -53.613 0.40 49.60 ? 291 SER A C 1 +ATOM 3633 C C B SER A 1 291 ? 32.553 -49.450 -53.649 0.60 49.65 ? 291 SER A C 1 +ATOM 3634 O O A SER A 1 291 ? 33.495 -49.267 -54.426 0.40 52.53 ? 291 SER A O 1 +ATOM 3635 O O B SER A 1 291 ? 33.411 -49.179 -54.498 0.60 52.94 ? 291 SER A O 1 +ATOM 3636 C CB A SER A 1 291 ? 33.572 -49.657 -51.329 0.40 50.76 ? 291 SER A CB 1 +ATOM 3637 C CB B SER A 1 291 ? 33.558 -49.651 -51.371 0.60 50.84 ? 291 SER A CB 1 +ATOM 3638 O OG A SER A 1 291 ? 33.743 -49.023 -50.078 0.40 48.94 ? 291 SER A OG 1 +ATOM 3639 O OG B SER A 1 291 ? 33.817 -48.985 -50.150 0.60 49.10 ? 291 SER A OG 1 +ATOM 3640 N N A THR A 1 292 ? 31.577 -50.290 -53.896 0.40 43.09 ? 292 THR A N 1 +ATOM 3641 N N B THR A 1 292 ? 31.558 -50.298 -53.903 0.60 42.92 ? 292 THR A N 1 +ATOM 3642 C CA A THR A 1 292 ? 31.508 -50.882 -55.225 0.40 45.39 ? 292 THR A CA 1 +ATOM 3643 C CA B THR A 1 292 ? 31.476 -50.898 -55.230 0.60 45.42 ? 292 THR A CA 1 +ATOM 3644 C C A THR A 1 292 ? 30.583 -50.116 -56.158 0.40 45.76 ? 292 THR A C 1 +ATOM 3645 C C B THR A 1 292 ? 30.595 -50.088 -56.176 0.60 45.75 ? 292 THR A C 1 +ATOM 3646 O O A THR A 1 292 ? 30.795 -50.129 -57.376 0.40 45.25 ? 292 THR A O 1 +ATOM 3647 O O B THR A 1 292 ? 30.841 -50.081 -57.387 0.60 45.23 ? 292 THR A O 1 +ATOM 3648 C CB A THR A 1 292 ? 31.081 -52.365 -55.155 0.40 51.09 ? 292 THR A CB 1 +ATOM 3649 C CB B THR A 1 292 ? 30.981 -52.356 -55.147 0.60 51.20 ? 292 THR A CB 1 +ATOM 3650 O OG1 A THR A 1 292 ? 29.776 -52.495 -54.569 0.40 45.74 ? 292 THR A OG1 1 +ATOM 3651 O OG1 B THR A 1 292 ? 29.723 -52.425 -54.465 0.60 45.76 ? 292 THR A OG1 1 +ATOM 3652 C CG2 A THR A 1 292 ? 32.090 -53.173 -54.329 0.40 50.89 ? 292 THR A CG2 1 +ATOM 3653 C CG2 B THR A 1 292 ? 31.993 -53.218 -54.412 0.60 51.11 ? 292 THR A CG2 1 +ATOM 3654 N N A MET A 1 293 ? 29.576 -49.425 -55.622 0.40 46.53 ? 293 MET A N 1 +ATOM 3655 N N B MET A 1 293 ? 29.583 -49.394 -55.657 0.60 46.58 ? 293 MET A N 1 +ATOM 3656 C CA A MET A 1 293 ? 28.886 -48.451 -56.460 0.40 49.86 ? 293 MET A CA 1 +ATOM 3657 C CA B MET A 1 293 ? 28.881 -48.427 -56.488 0.60 49.98 ? 293 MET A CA 1 +ATOM 3658 C C A MET A 1 293 ? 29.797 -47.285 -56.823 0.40 45.05 ? 293 MET A C 1 +ATOM 3659 C C B MET A 1 293 ? 29.775 -47.247 -56.838 0.60 44.99 ? 293 MET A C 1 +ATOM 3660 O O A MET A 1 293 ? 29.551 -46.609 -57.830 0.40 46.68 ? 293 MET A O 1 +ATOM 3661 O O B MET A 1 293 ? 29.516 -46.565 -57.833 0.60 46.85 ? 293 MET A O 1 +ATOM 3662 C CB A MET A 1 293 ? 27.594 -47.990 -55.780 0.40 42.66 ? 293 MET A CB 1 +ATOM 3663 C CB B MET A 1 293 ? 27.591 -47.979 -55.801 0.60 42.56 ? 293 MET A CB 1 +ATOM 3664 C CG A MET A 1 293 ? 26.470 -49.056 -55.955 0.40 42.76 ? 293 MET A CG 1 +ATOM 3665 C CG B MET A 1 293 ? 26.483 -49.051 -55.936 0.60 42.71 ? 293 MET A CG 1 +ATOM 3666 S SD A MET A 1 293 ? 24.929 -48.775 -55.045 0.40 45.99 ? 293 MET A SD 1 +ATOM 3667 S SD B MET A 1 293 ? 24.962 -48.757 -55.011 0.60 45.91 ? 293 MET A SD 1 +ATOM 3668 C CE A MET A 1 293 ? 25.364 -49.397 -53.427 0.40 44.57 ? 293 MET A CE 1 +ATOM 3669 C CE B MET A 1 293 ? 25.348 -49.490 -53.428 0.60 44.55 ? 293 MET A CE 1 +ATOM 3670 N N A ALA A 1 294 ? 30.876 -47.075 -56.061 0.40 44.50 ? 294 ALA A N 1 +ATOM 3671 N N B ALA A 1 294 ? 30.848 -47.031 -56.067 0.60 44.51 ? 294 ALA A N 1 +ATOM 3672 C CA A ALA A 1 294 ? 31.909 -46.125 -56.472 0.40 44.61 ? 294 ALA A CA 1 +ATOM 3673 C CA B ALA A 1 294 ? 31.901 -46.108 -56.476 0.60 44.59 ? 294 ALA A CA 1 +ATOM 3674 C C A ALA A 1 294 ? 32.486 -46.463 -57.850 0.40 49.55 ? 294 ALA A C 1 +ATOM 3675 C C B ALA A 1 294 ? 32.463 -46.451 -57.853 0.60 49.70 ? 294 ALA A C 1 +ATOM 3676 O O A ALA A 1 294 ? 32.974 -45.575 -58.559 0.40 47.53 ? 294 ALA A O 1 +ATOM 3677 O O B ALA A 1 294 ? 32.965 -45.565 -58.557 0.60 47.60 ? 294 ALA A O 1 +ATOM 3678 C CB A ALA A 1 294 ? 33.026 -46.106 -55.432 0.40 43.81 ? 294 ALA A CB 1 +ATOM 3679 C CB B ALA A 1 294 ? 33.025 -46.114 -55.440 0.60 43.79 ? 294 ALA A CB 1 +ATOM 3680 N N A PHE A 1 295 ? 32.470 -47.737 -58.238 0.40 43.98 ? 295 PHE A N 1 +ATOM 3681 N N B PHE A 1 295 ? 32.423 -47.722 -58.252 0.60 43.90 ? 295 PHE A N 1 +ATOM 3682 C CA A PHE A 1 295 ? 32.887 -48.126 -59.579 0.40 47.35 ? 295 PHE A CA 1 +ATOM 3683 C CA B PHE A 1 295 ? 32.853 -48.104 -59.592 0.60 47.35 ? 295 PHE A CA 1 +ATOM 3684 C C A PHE A 1 295 ? 31.691 -48.488 -60.453 0.40 48.32 ? 295 PHE A C 1 +ATOM 3685 C C B PHE A 1 295 ? 31.665 -48.485 -60.471 0.60 48.38 ? 295 PHE A C 1 +ATOM 3686 O O A PHE A 1 295 ? 31.825 -49.276 -61.395 0.40 48.87 ? 295 PHE A O 1 +ATOM 3687 O O B PHE A 1 295 ? 31.799 -49.286 -61.397 0.60 49.00 ? 295 PHE A O 1 +ATOM 3688 C CB A PHE A 1 295 ? 33.910 -49.267 -59.500 0.40 47.26 ? 295 PHE A CB 1 +ATOM 3689 C CB B PHE A 1 295 ? 33.894 -49.225 -59.518 0.60 47.32 ? 295 PHE A CB 1 +ATOM 3690 C CG A PHE A 1 295 ? 35.057 -48.961 -58.567 0.40 46.03 ? 295 PHE A CG 1 +ATOM 3691 C CG B PHE A 1 295 ? 35.020 -48.925 -58.560 0.60 45.97 ? 295 PHE A CG 1 +ATOM 3692 C CD1 A PHE A 1 295 ? 36.072 -48.088 -58.955 0.40 44.63 ? 295 PHE A CD1 1 +ATOM 3693 C CD1 B PHE A 1 295 ? 36.008 -48.004 -58.894 0.60 44.69 ? 295 PHE A CD1 1 +ATOM 3694 C CD2 A PHE A 1 295 ? 35.083 -49.491 -57.282 0.40 48.45 ? 295 PHE A CD2 1 +ATOM 3695 C CD2 B PHE A 1 295 ? 35.072 -49.539 -57.320 0.60 48.46 ? 295 PHE A CD2 1 +ATOM 3696 C CE1 A PHE A 1 295 ? 37.105 -47.765 -58.085 0.40 50.63 ? 295 PHE A CE1 1 +ATOM 3697 C CE1 B PHE A 1 295 ? 37.035 -47.709 -58.014 0.60 50.81 ? 295 PHE A CE1 1 +ATOM 3698 C CE2 A PHE A 1 295 ? 36.124 -49.177 -56.392 0.40 50.71 ? 295 PHE A CE2 1 +ATOM 3699 C CE2 B PHE A 1 295 ? 36.104 -49.246 -56.412 0.60 50.88 ? 295 PHE A CE2 1 +ATOM 3700 C CZ A PHE A 1 295 ? 37.129 -48.315 -56.786 0.40 51.78 ? 295 PHE A CZ 1 +ATOM 3701 C CZ B PHE A 1 295 ? 37.080 -48.327 -56.757 0.60 51.76 ? 295 PHE A CZ 1 +ATOM 3702 N N A ASN A 1 296 ? 30.517 -47.941 -60.121 0.40 47.21 ? 296 ASN A N 1 +ATOM 3703 N N B ASN A 1 296 ? 30.493 -47.915 -60.159 0.60 47.16 ? 296 ASN A N 1 +ATOM 3704 C CA A ASN A 1 296 ? 29.344 -47.920 -60.988 0.40 49.10 ? 296 ASN A CA 1 +ATOM 3705 C CA B ASN A 1 296 ? 29.313 -47.903 -61.023 0.60 49.19 ? 296 ASN A CA 1 +ATOM 3706 C C A ASN A 1 296 ? 28.753 -49.302 -61.240 0.40 51.72 ? 296 ASN A C 1 +ATOM 3707 C C B ASN A 1 296 ? 28.732 -49.292 -61.274 0.60 51.88 ? 296 ASN A C 1 +ATOM 3708 O O A ASN A 1 296 ? 28.158 -49.543 -62.295 0.40 48.45 ? 296 ASN A O 1 +ATOM 3709 O O B ASN A 1 296 ? 28.091 -49.519 -62.305 0.60 48.46 ? 296 ASN A O 1 +ATOM 3710 C CB A ASN A 1 296 ? 29.661 -47.238 -62.319 0.40 49.17 ? 296 ASN A CB 1 +ATOM 3711 C CB B ASN A 1 296 ? 29.602 -47.216 -62.360 0.60 49.13 ? 296 ASN A CB 1 +ATOM 3712 C CG A ASN A 1 296 ? 30.173 -45.833 -62.130 0.40 51.83 ? 296 ASN A CG 1 +ATOM 3713 C CG B ASN A 1 296 ? 30.104 -45.803 -62.194 0.60 51.91 ? 296 ASN A CG 1 +ATOM 3714 O OD1 A ASN A 1 296 ? 29.681 -45.101 -61.277 0.40 52.55 ? 296 ASN A OD1 1 +ATOM 3715 O OD1 B ASN A 1 296 ? 29.593 -45.039 -61.373 0.60 52.79 ? 296 ASN A OD1 1 +ATOM 3716 N ND2 A ASN A 1 296 ? 31.170 -45.449 -62.915 0.40 52.80 ? 296 ASN A ND2 1 +ATOM 3717 N ND2 B ASN A 1 296 ? 31.113 -45.443 -62.973 0.60 52.89 ? 296 ASN A ND2 1 +ATOM 3718 N N A LEU A 1 297 ? 28.915 -50.240 -60.309 0.40 44.07 ? 297 LEU A N 1 +ATOM 3719 N N B LEU A 1 297 ? 28.956 -50.238 -60.366 0.60 44.01 ? 297 LEU A N 1 +ATOM 3720 C CA A LEU A 1 297 ? 28.167 -51.493 -60.384 0.40 47.42 ? 297 LEU A CA 1 +ATOM 3721 C CA B LEU A 1 297 ? 28.191 -51.484 -60.367 0.60 47.48 ? 297 LEU A CA 1 +ATOM 3722 C C A LEU A 1 297 ? 26.915 -51.293 -59.533 0.40 46.74 ? 297 LEU A C 1 +ATOM 3723 C C B LEU A 1 297 ? 26.966 -51.228 -59.498 0.60 46.78 ? 297 LEU A C 1 +ATOM 3724 O O A LEU A 1 297 ? 26.967 -51.378 -58.305 0.40 49.15 ? 297 LEU A O 1 +ATOM 3725 O O B LEU A 1 297 ? 27.049 -51.247 -58.271 0.60 49.63 ? 297 LEU A O 1 +ATOM 3726 C CB A LEU A 1 297 ? 29.017 -52.671 -59.917 0.40 44.74 ? 297 LEU A CB 1 +ATOM 3727 C CB B LEU A 1 297 ? 29.025 -52.656 -59.859 0.60 44.73 ? 297 LEU A CB 1 +ATOM 3728 C CG A LEU A 1 297 ? 28.400 -54.061 -60.097 0.40 49.78 ? 297 LEU A CG 1 +ATOM 3729 C CG B LEU A 1 297 ? 28.432 -54.042 -60.123 0.60 49.88 ? 297 LEU A CG 1 +ATOM 3730 C CD1 A LEU A 1 297 ? 28.107 -54.336 -61.577 0.40 46.14 ? 297 LEU A CD1 1 +ATOM 3731 C CD1 B LEU A 1 297 ? 28.207 -54.240 -61.625 0.60 46.22 ? 297 LEU A CD1 1 +ATOM 3732 C CD2 A LEU A 1 297 ? 29.306 -55.138 -59.501 0.40 48.84 ? 297 LEU A CD2 1 +ATOM 3733 C CD2 B LEU A 1 297 ? 29.322 -55.144 -59.544 0.60 48.86 ? 297 LEU A CD2 1 +ATOM 3734 N N A ASN A 1 298 ? 25.785 -51.026 -60.184 0.40 44.77 ? 298 ASN A N 1 +ATOM 3735 N N B ASN A 1 298 ? 25.831 -50.975 -60.134 0.60 44.74 ? 298 ASN A N 1 +ATOM 3736 C CA A ASN A 1 298 ? 24.665 -50.385 -59.514 0.40 44.63 ? 298 ASN A CA 1 +ATOM 3737 C CA B ASN A 1 298 ? 24.688 -50.358 -59.482 0.60 44.60 ? 298 ASN A CA 1 +ATOM 3738 C C A ASN A 1 298 ? 23.593 -51.385 -59.088 0.40 47.60 ? 298 ASN A C 1 +ATOM 3739 C C B ASN A 1 298 ? 23.628 -51.386 -59.102 0.60 47.68 ? 298 ASN A C 1 +ATOM 3740 O O A ASN A 1 298 ? 23.680 -52.585 -59.349 0.40 45.81 ? 298 ASN A O 1 +ATOM 3741 O O B ASN A 1 298 ? 23.742 -52.570 -59.408 0.60 45.73 ? 298 ASN A O 1 +ATOM 3742 C CB A ASN A 1 298 ? 24.107 -49.295 -60.423 0.40 40.93 ? 298 ASN A CB 1 +ATOM 3743 C CB B ASN A 1 298 ? 24.118 -49.278 -60.403 0.60 40.80 ? 298 ASN A CB 1 +ATOM 3744 C CG A ASN A 1 298 ? 25.123 -48.207 -60.653 0.40 48.21 ? 298 ASN A CG 1 +ATOM 3745 C CG B ASN A 1 298 ? 25.129 -48.175 -60.673 0.60 48.34 ? 298 ASN A CG 1 +ATOM 3746 O OD1 A ASN A 1 298 ? 25.952 -47.952 -59.784 0.40 47.44 ? 298 ASN A OD1 1 +ATOM 3747 O OD1 B ASN A 1 298 ? 25.952 -47.862 -59.811 0.60 47.51 ? 298 ASN A OD1 1 +ATOM 3748 N ND2 A ASN A 1 298 ? 25.099 -47.588 -61.819 0.40 43.92 ? 298 ASN A ND2 1 +ATOM 3749 N ND2 B ASN A 1 298 ? 25.089 -47.596 -61.870 0.60 43.81 ? 298 ASN A ND2 1 +ATOM 3750 N N A GLY A 1 299 ? 22.581 -50.873 -58.384 0.40 45.34 ? 299 GLY A N 1 +ATOM 3751 N N B GLY A 1 299 ? 22.598 -50.914 -58.404 0.60 45.45 ? 299 GLY A N 1 +ATOM 3752 C CA A GLY A 1 299 ? 21.466 -51.699 -57.949 0.40 45.33 ? 299 GLY A CA 1 +ATOM 3753 C CA B GLY A 1 299 ? 21.514 -51.782 -57.979 0.60 45.38 ? 299 GLY A CA 1 +ATOM 3754 C C A GLY A 1 299 ? 20.744 -52.365 -59.114 0.40 50.34 ? 299 GLY A C 1 +ATOM 3755 C C B GLY A 1 299 ? 20.777 -52.409 -59.150 0.60 50.57 ? 299 GLY A C 1 +ATOM 3756 O O A GLY A 1 299 ? 20.897 -52.008 -60.285 0.40 45.33 ? 299 GLY A O 1 +ATOM 3757 O O B GLY A 1 299 ? 20.910 -52.009 -60.310 0.60 45.27 ? 299 GLY A O 1 +ATOM 3758 N N A PHE A 1 300 ? 19.937 -53.370 -58.769 0.40 47.81 ? 300 PHE A N 1 +ATOM 3759 N N B PHE A 1 300 ? 19.981 -53.434 -58.820 0.60 47.90 ? 300 PHE A N 1 +ATOM 3760 C CA A PHE A 1 300 ? 19.162 -54.095 -59.777 0.40 45.73 ? 300 PHE A CA 1 +ATOM 3761 C CA B PHE A 1 300 ? 19.189 -54.138 -59.827 0.60 45.60 ? 300 PHE A CA 1 +ATOM 3762 C C A PHE A 1 300 ? 18.302 -53.139 -60.599 0.40 48.04 ? 300 PHE A C 1 +ATOM 3763 C C B PHE A 1 300 ? 18.334 -53.170 -60.635 0.60 48.11 ? 300 PHE A C 1 +ATOM 3764 O O A PHE A 1 300 ? 17.629 -52.256 -60.059 0.40 43.03 ? 300 PHE A O 1 +ATOM 3765 O O B PHE A 1 300 ? 17.683 -52.275 -60.090 0.60 42.95 ? 300 PHE A O 1 +ATOM 3766 C CB A PHE A 1 300 ? 18.258 -55.143 -59.123 0.40 44.09 ? 300 PHE A CB 1 +ATOM 3767 C CB B PHE A 1 300 ? 18.282 -55.182 -59.173 0.60 44.04 ? 300 PHE A CB 1 +ATOM 3768 C CG A PHE A 1 300 ? 18.990 -56.337 -58.574 0.40 50.21 ? 300 PHE A CG 1 +ATOM 3769 C CG B PHE A 1 300 ? 19.014 -56.380 -58.635 0.60 50.19 ? 300 PHE A CG 1 +ATOM 3770 C CD1 A PHE A 1 300 ? 19.694 -57.194 -59.414 0.40 46.75 ? 300 PHE A CD1 1 +ATOM 3771 C CD1 B PHE A 1 300 ? 19.718 -57.215 -59.482 0.60 46.74 ? 300 PHE A CD1 1 +ATOM 3772 C CD2 A PHE A 1 300 ? 18.947 -56.623 -57.209 0.40 47.91 ? 300 PHE A CD2 1 +ATOM 3773 C CD2 B PHE A 1 300 ? 18.984 -56.676 -57.274 0.60 48.07 ? 300 PHE A CD2 1 +ATOM 3774 C CE1 A PHE A 1 300 ? 20.359 -58.319 -58.896 0.40 51.73 ? 300 PHE A CE1 1 +ATOM 3775 C CE1 B PHE A 1 300 ? 20.390 -58.338 -58.981 0.60 51.70 ? 300 PHE A CE1 1 +ATOM 3776 C CE2 A PHE A 1 300 ? 19.599 -57.747 -56.689 0.40 51.95 ? 300 PHE A CE2 1 +ATOM 3777 C CE2 B PHE A 1 300 ? 19.650 -57.796 -56.772 0.60 51.97 ? 300 PHE A CE2 1 +ATOM 3778 C CZ A PHE A 1 300 ? 20.312 -58.591 -57.534 0.40 46.03 ? 300 PHE A CZ 1 +ATOM 3779 C CZ B PHE A 1 300 ? 20.361 -58.619 -57.623 0.60 45.95 ? 300 PHE A CZ 1 +ATOM 3780 N N A ASN A 1 301 ? 18.305 -53.352 -61.907 0.40 48.21 ? 301 ASN A N 1 +ATOM 3781 N N B ASN A 1 301 ? 18.325 -53.375 -61.941 0.60 48.31 ? 301 ASN A N 1 +ATOM 3782 C CA A ASN A 1 301 ? 17.525 -52.577 -62.867 0.40 47.20 ? 301 ASN A CA 1 +ATOM 3783 C CA B ASN A 1 301 ? 17.534 -52.581 -62.873 0.60 47.26 ? 301 ASN A CA 1 +ATOM 3784 C C A ASN A 1 301 ? 16.459 -53.482 -63.472 0.40 53.28 ? 301 ASN A C 1 +ATOM 3785 C C B ASN A 1 301 ? 16.460 -53.483 -63.476 0.60 53.53 ? 301 ASN A C 1 +ATOM 3786 O O A ASN A 1 301 ? 16.757 -54.300 -64.345 0.40 48.71 ? 301 ASN A O 1 +ATOM 3787 O O B ASN A 1 301 ? 16.761 -54.333 -64.319 0.60 48.82 ? 301 ASN A O 1 +ATOM 3788 C CB A ASN A 1 301 ? 18.421 -52.014 -63.968 0.40 42.17 ? 301 ASN A CB 1 +ATOM 3789 C CB B ASN A 1 301 ? 18.425 -51.984 -63.961 0.60 42.05 ? 301 ASN A CB 1 +ATOM 3790 C CG A ASN A 1 301 ? 17.661 -51.111 -64.933 0.40 46.88 ? 301 ASN A CG 1 +ATOM 3791 C CG B ASN A 1 301 ? 17.664 -51.075 -64.905 0.60 46.90 ? 301 ASN A CG 1 +ATOM 3792 O OD1 A ASN A 1 301 ? 16.446 -51.235 -65.087 0.40 45.92 ? 301 ASN A OD1 1 +ATOM 3793 O OD1 B ASN A 1 301 ? 16.441 -51.174 -65.035 0.60 45.91 ? 301 ASN A OD1 1 +ATOM 3794 N ND2 A ASN A 1 301 ? 18.384 -50.198 -65.593 0.40 44.83 ? 301 ASN A ND2 1 +ATOM 3795 N ND2 B ASN A 1 301 ? 18.391 -50.186 -65.587 0.60 44.78 ? 301 ASN A ND2 1 +ATOM 3796 N N . PHE A 1 302 ? 15.214 -53.289 -63.057 1.00 43.88 ? 302 PHE A N 1 +ATOM 3797 C CA . PHE A 1 302 ? 14.085 -54.005 -63.629 1.00 44.84 ? 302 PHE A CA 1 +ATOM 3798 C C . PHE A 1 302 ? 13.148 -53.053 -64.367 1.00 50.84 ? 302 PHE A C 1 +ATOM 3799 O O . PHE A 1 302 ? 11.934 -53.279 -64.417 1.00 49.31 ? 302 PHE A O 1 +ATOM 3800 C CB . PHE A 1 302 ? 13.342 -54.797 -62.550 1.00 41.87 ? 302 PHE A CB 1 +ATOM 3801 C CG . PHE A 1 302 ? 14.216 -55.808 -61.829 1.00 44.85 ? 302 PHE A CG 1 +ATOM 3802 C CD1 . PHE A 1 302 ? 14.804 -56.863 -62.521 1.00 57.98 ? 302 PHE A CD1 1 +ATOM 3803 C CD2 . PHE A 1 302 ? 14.455 -55.696 -60.473 1.00 48.35 ? 302 PHE A CD2 1 +ATOM 3804 C CE1 . PHE A 1 302 ? 15.615 -57.814 -61.855 1.00 52.78 ? 302 PHE A CE1 1 +ATOM 3805 C CE2 . PHE A 1 302 ? 15.251 -56.638 -59.789 1.00 53.56 ? 302 PHE A CE2 1 +ATOM 3806 C CZ . PHE A 1 302 ? 15.840 -57.688 -60.484 1.00 54.33 ? 302 PHE A CZ 1 +ATOM 3807 N N A ASN A 1 303 ? 13.699 -51.976 -64.930 0.40 46.29 ? 303 ASN A N 1 +ATOM 3808 N N B ASN A 1 303 ? 13.707 -51.994 -64.964 0.60 46.34 ? 303 ASN A N 1 +ATOM 3809 C CA A ASN A 1 303 ? 12.886 -51.005 -65.656 0.40 43.65 ? 303 ASN A CA 1 +ATOM 3810 C CA B ASN A 1 303 ? 12.903 -51.012 -65.677 0.60 43.61 ? 303 ASN A CA 1 +ATOM 3811 C C A ASN A 1 303 ? 12.341 -51.642 -66.929 0.40 49.93 ? 303 ASN A C 1 +ATOM 3812 C C B ASN A 1 303 ? 12.345 -51.644 -66.947 0.60 50.00 ? 303 ASN A C 1 +ATOM 3813 O O A ASN A 1 303 ? 13.115 -52.062 -67.799 0.40 47.51 ? 303 ASN A O 1 +ATOM 3814 O O B ASN A 1 303 ? 13.111 -52.073 -67.821 0.60 47.56 ? 303 ASN A O 1 +ATOM 3815 C CB A ASN A 1 303 ? 13.703 -49.754 -65.988 0.40 44.72 ? 303 ASN A CB 1 +ATOM 3816 C CB B ASN A 1 303 ? 13.742 -49.771 -65.998 0.60 44.66 ? 303 ASN A CB 1 +ATOM 3817 C CG A ASN A 1 303 ? 14.240 -49.044 -64.729 0.40 49.37 ? 303 ASN A CG 1 +ATOM 3818 C CG B ASN A 1 303 ? 14.272 -49.062 -64.727 0.60 49.52 ? 303 ASN A CG 1 +ATOM 3819 O OD1 A ASN A 1 303 ? 13.620 -49.076 -63.661 0.40 45.73 ? 303 ASN A OD1 1 +ATOM 3820 O OD1 B ASN A 1 303 ? 13.647 -49.116 -63.664 0.60 45.70 ? 303 ASN A OD1 1 +ATOM 3821 N ND2 A ASN A 1 303 ? 15.399 -48.405 -64.860 0.40 44.48 ? 303 ASN A ND2 1 +ATOM 3822 N ND2 B ASN A 1 303 ? 15.424 -48.400 -64.846 0.60 44.38 ? 303 ASN A ND2 1 +ATOM 3823 N N . HIS A 1 304 ? 11.013 -51.713 -67.043 1.00 48.00 ? 304 HIS A N 1 +ATOM 3824 C CA . HIS A 1 304 ? 10.338 -52.320 -68.196 1.00 48.16 ? 304 HIS A CA 1 +ATOM 3825 C C . HIS A 1 304 ? 10.653 -53.819 -68.316 1.00 52.79 ? 304 HIS A C 1 +ATOM 3826 O O . HIS A 1 304 ? 10.741 -54.352 -69.426 1.00 55.65 ? 304 HIS A O 1 +ATOM 3827 C CB . HIS A 1 304 ? 10.696 -51.622 -69.517 1.00 47.54 ? 304 HIS A CB 1 +ATOM 3828 C CG . HIS A 1 304 ? 10.363 -50.160 -69.571 1.00 52.49 ? 304 HIS A CG 1 +ATOM 3829 N ND1 . HIS A 1 304 ? 10.499 -49.419 -70.728 1.00 49.97 ? 304 HIS A ND1 1 +ATOM 3830 C CD2 . HIS A 1 304 ? 9.902 -49.302 -68.626 1.00 53.96 ? 304 HIS A CD2 1 +ATOM 3831 C CE1 . HIS A 1 304 ? 10.129 -48.168 -70.494 1.00 50.02 ? 304 HIS A CE1 1 +ATOM 3832 N NE2 . HIS A 1 304 ? 9.762 -48.072 -69.228 1.00 50.63 ? 304 HIS A NE2 1 +ATOM 3833 N N . SER A 1 305 ? 10.857 -54.498 -67.185 1.00 51.94 ? 305 SER A N 1 +ATOM 3834 C CA . SER A 1 305 ? 11.128 -55.934 -67.197 1.00 51.03 ? 305 SER A CA 1 +ATOM 3835 C C . SER A 1 305 ? 9.881 -56.744 -67.537 1.00 54.16 ? 305 SER A C 1 +ATOM 3836 O O . SER A 1 305 ? 9.993 -57.827 -68.114 1.00 60.41 ? 305 SER A O 1 +ATOM 3837 C CB . SER A 1 305 ? 11.687 -56.386 -65.836 1.00 48.95 ? 305 SER A CB 1 +ATOM 3838 O OG . SER A 1 305 ? 13.102 -56.293 -65.780 1.00 49.84 ? 305 SER A OG 1 +ATOM 3839 N N . VAL A 1 306 ? 8.700 -56.263 -67.171 1.00 52.45 ? 306 VAL A N 1 +ATOM 3840 C CA . VAL A 1 306 ? 7.450 -56.973 -67.412 1.00 46.04 ? 306 VAL A CA 1 +ATOM 3841 C C . VAL A 1 306 ? 6.761 -56.374 -68.632 1.00 53.62 ? 306 VAL A C 1 +ATOM 3842 O O . VAL A 1 306 ? 6.426 -55.179 -68.650 1.00 48.18 ? 306 VAL A O 1 +ATOM 3843 C CB . VAL A 1 306 ? 6.523 -56.920 -66.193 1.00 51.19 ? 306 VAL A CB 1 +ATOM 3844 C CG1 . VAL A 1 306 ? 5.206 -57.624 -66.542 1.00 50.27 ? 306 VAL A CG1 1 +ATOM 3845 C CG2 . VAL A 1 306 ? 7.204 -57.546 -64.945 1.00 42.72 ? 306 VAL A CG2 1 +ATOM 3846 N N . ILE A 1 307 ? 6.492 -57.241 -69.611 1.00 54.66 ? 307 ILE A N 1 +ATOM 3847 C CA . ILE A 1 307 ? 5.989 -56.914 -70.944 1.00 64.86 ? 307 ILE A CA 1 +ATOM 3848 C C . ILE A 1 307 ? 4.770 -57.791 -71.215 1.00 51.45 ? 307 ILE A C 1 +ATOM 3849 O O . ILE A 1 307 ? 4.812 -58.991 -70.939 1.00 50.58 ? 307 ILE A O 1 +ATOM 3850 C CB . ILE A 1 307 ? 7.092 -57.188 -71.991 1.00 60.38 ? 307 ILE A CB 1 +ATOM 3851 C CG1 . ILE A 1 307 ? 8.286 -56.276 -71.743 1.00 71.38 ? 307 ILE A CG1 1 +ATOM 3852 C CG2 . ILE A 1 307 ? 6.600 -56.960 -73.365 1.00 72.76 ? 307 ILE A CG2 1 +ATOM 3853 C CD1 . ILE A 1 307 ? 7.911 -54.842 -71.898 1.00 60.72 ? 307 ILE A CD1 1 +ATOM 3854 N N . ASP A 1 308 ? 3.693 -57.219 -71.769 1.00 53.19 ? 308 ASP A N 1 +ATOM 3855 C CA . ASP A 1 308 ? 2.514 -58.037 -72.056 1.00 52.83 ? 308 ASP A CA 1 +ATOM 3856 C C . ASP A 1 308 ? 2.642 -58.752 -73.413 1.00 56.77 ? 308 ASP A C 1 +ATOM 3857 O O . ASP A 1 308 ? 3.677 -58.703 -74.091 1.00 56.90 ? 308 ASP A O 1 +ATOM 3858 C CB . ASP A 1 308 ? 1.220 -57.207 -71.949 1.00 55.32 ? 308 ASP A CB 1 +ATOM 3859 C CG . ASP A 1 308 ? 0.857 -56.408 -73.234 1.00 62.62 ? 308 ASP A CG 1 +ATOM 3860 O OD1 . ASP A 1 308 ? 1.642 -56.281 -74.215 1.00 51.48 ? 308 ASP A OD1 1 +ATOM 3861 O OD2 . ASP A 1 308 ? -0.271 -55.873 -73.236 1.00 57.61 ? 308 ASP A OD2 1 +ATOM 3862 N N . ALA A 1 309 ? 1.570 -59.446 -73.809 1.00 52.52 ? 309 ALA A N 1 +ATOM 3863 C CA . ALA A 1 309 ? 1.618 -60.256 -75.028 1.00 65.90 ? 309 ALA A CA 1 +ATOM 3864 C C . ALA A 1 309 ? 1.880 -59.405 -76.267 1.00 56.84 ? 309 ALA A C 1 +ATOM 3865 O O . ALA A 1 309 ? 2.607 -59.824 -77.176 1.00 53.51 ? 309 ALA A O 1 +ATOM 3866 C CB . ALA A 1 309 ? 0.317 -61.051 -75.197 1.00 52.08 ? 309 ALA A CB 1 +ATOM 3867 N N . LYS A 1 310 ? 1.274 -58.223 -76.344 1.00 54.96 ? 310 LYS A N 1 +ATOM 3868 C CA . LYS A 1 310 ? 1.530 -57.363 -77.495 1.00 53.18 ? 310 LYS A CA 1 +ATOM 3869 C C . LYS A 1 310 ? 2.908 -56.717 -77.423 1.00 65.13 ? 310 LYS A C 1 +ATOM 3870 O O . LYS A 1 310 ? 3.463 -56.348 -78.460 1.00 57.94 ? 310 LYS A O 1 +ATOM 3871 C CB . LYS A 1 310 ? 0.449 -56.283 -77.593 1.00 49.16 ? 310 LYS A CB 1 +ATOM 3872 C CG . LYS A 1 310 ? 0.562 -55.391 -78.829 1.00 55.73 ? 310 LYS A CG 1 +ATOM 3873 C CD . LYS A 1 310 ? -0.530 -54.327 -78.793 1.00 57.79 ? 310 LYS A CD 1 +ATOM 3874 C CE . LYS A 1 310 ? -0.470 -53.409 -79.991 1.00 53.43 ? 310 LYS A CE 1 +ATOM 3875 N NZ . LYS A 1 310 ? -1.471 -52.319 -79.841 1.00 58.92 ? 310 LYS A NZ 1 +ATOM 3876 N N . GLY A 1 311 ? 3.477 -56.595 -76.222 1.00 62.66 ? 311 GLY A N 1 +ATOM 3877 C CA . GLY A 1 311 ? 4.699 -55.855 -76.007 1.00 45.13 ? 311 GLY A CA 1 +ATOM 3878 C C . GLY A 1 311 ? 4.522 -54.537 -75.271 1.00 56.54 ? 311 GLY A C 1 +ATOM 3879 O O . GLY A 1 311 ? 5.488 -53.775 -75.179 1.00 50.45 ? 311 GLY A O 1 +ATOM 3880 N N . ASN A 1 312 ? 3.312 -54.226 -74.790 1.00 47.54 ? 312 ASN A N 1 +ATOM 3881 C CA . ASN A 1 312 ? 3.130 -53.082 -73.904 1.00 58.12 ? 312 ASN A CA 1 +ATOM 3882 C C . ASN A 1 312 ? 3.947 -53.274 -72.632 1.00 63.76 ? 312 ASN A C 1 +ATOM 3883 O O . ASN A 1 312 ? 4.061 -54.388 -72.099 1.00 54.09 ? 312 ASN A O 1 +ATOM 3884 C CB . ASN A 1 312 ? 1.661 -52.908 -73.507 1.00 51.94 ? 312 ASN A CB 1 +ATOM 3885 C CG . ASN A 1 312 ? 0.764 -52.599 -74.681 1.00 57.74 ? 312 ASN A CG 1 +ATOM 3886 O OD1 . ASN A 1 312 ? 0.974 -51.623 -75.386 1.00 62.63 ? 312 ASN A OD1 1 +ATOM 3887 N ND2 . ASN A 1 312 ? -0.255 -53.431 -74.892 1.00 57.34 ? 312 ASN A ND2 1 +ATOM 3888 N N . VAL A 1 313 ? 4.517 -52.178 -72.144 1.00 55.25 ? 313 VAL A N 1 +ATOM 3889 C CA . VAL A 1 313 ? 5.181 -52.210 -70.854 1.00 47.44 ? 313 VAL A CA 1 +ATOM 3890 C C . VAL A 1 313 ? 4.117 -52.294 -69.774 1.00 52.04 ? 313 VAL A C 1 +ATOM 3891 O O . VAL A 1 313 ? 3.140 -51.530 -69.783 1.00 52.07 ? 313 VAL A O 1 +ATOM 3892 C CB . VAL A 1 313 ? 6.073 -50.973 -70.661 1.00 59.93 ? 313 VAL A CB 1 +ATOM 3893 C CG1 . VAL A 1 313 ? 6.582 -50.898 -69.197 1.00 44.94 ? 313 VAL A CG1 1 +ATOM 3894 C CG2 . VAL A 1 313 ? 7.243 -50.980 -71.668 1.00 50.54 ? 313 VAL A CG2 1 +ATOM 3895 N N . ILE A 1 314 ? 4.295 -53.229 -68.846 1.00 48.22 ? 314 ILE A N 1 +ATOM 3896 C CA . ILE A 1 314 ? 3.472 -53.303 -67.647 1.00 50.02 ? 314 ILE A CA 1 +ATOM 3897 C C . ILE A 1 314 ? 4.321 -52.812 -66.486 1.00 50.26 ? 314 ILE A C 1 +ATOM 3898 O O . ILE A 1 314 ? 5.339 -53.433 -66.149 1.00 51.52 ? 314 ILE A O 1 +ATOM 3899 C CB . ILE A 1 314 ? 2.969 -54.733 -67.401 1.00 52.70 ? 314 ILE A CB 1 +ATOM 3900 C CG1 . ILE A 1 314 ? 2.252 -55.281 -68.647 1.00 50.78 ? 314 ILE A CG1 1 +ATOM 3901 C CG2 . ILE A 1 314 ? 2.089 -54.761 -66.156 1.00 51.86 ? 314 ILE A CG2 1 +ATOM 3902 C CD1 . ILE A 1 314 ? 1.030 -54.454 -69.073 1.00 47.52 ? 314 ILE A CD1 1 +ATOM 3903 N N . ASN A 1 315 ? 3.933 -51.692 -65.881 1.00 51.07 ? 315 ASN A N 1 +ATOM 3904 C CA . ASN A 1 315 ? 4.765 -51.120 -64.830 1.00 43.13 ? 315 ASN A CA 1 +ATOM 3905 C C . ASN A 1 315 ? 4.721 -51.987 -63.582 1.00 57.13 ? 315 ASN A C 1 +ATOM 3906 O O . ASN A 1 315 ? 3.683 -52.581 -63.247 1.00 49.40 ? 315 ASN A O 1 +ATOM 3907 C CB . ASN A 1 315 ? 4.316 -49.707 -64.481 1.00 47.11 ? 315 ASN A CB 1 +ATOM 3908 C CG . ASN A 1 315 ? 4.790 -48.674 -65.473 1.00 55.13 ? 315 ASN A CG 1 +ATOM 3909 O OD1 . ASN A 1 315 ? 5.808 -48.845 -66.149 1.00 53.59 ? 315 ASN A OD1 1 +ATOM 3910 N ND2 . ASN A 1 315 ? 4.050 -47.588 -65.562 1.00 57.48 ? 315 ASN A ND2 1 +ATOM 3911 N N . THR A 1 316 ? 5.861 -52.075 -62.908 1.00 44.68 ? 316 THR A N 1 +ATOM 3912 C CA . THR A 1 316 ? 5.930 -52.617 -61.563 1.00 42.05 ? 316 THR A CA 1 +ATOM 3913 C C . THR A 1 316 ? 6.333 -51.499 -60.609 1.00 44.08 ? 316 THR A C 1 +ATOM 3914 O O . THR A 1 316 ? 6.632 -50.378 -61.016 1.00 45.69 ? 316 THR A O 1 +ATOM 3915 C CB . THR A 1 316 ? 6.926 -53.788 -61.479 1.00 53.39 ? 316 THR A CB 1 +ATOM 3916 O OG1 . THR A 1 316 ? 8.267 -53.286 -61.630 1.00 46.63 ? 316 THR A OG1 1 +ATOM 3917 C CG2 . THR A 1 316 ? 6.637 -54.873 -62.571 1.00 45.62 ? 316 THR A CG2 1 +ATOM 3918 N N . TRP A 1 317 ? 6.366 -51.829 -59.318 1.00 49.33 ? 317 TRP A N 1 +ATOM 3919 C CA . TRP A 1 317 ? 6.880 -50.882 -58.345 1.00 43.58 ? 317 TRP A CA 1 +ATOM 3920 C C . TRP A 1 317 ? 8.301 -50.445 -58.679 1.00 45.56 ? 317 TRP A C 1 +ATOM 3921 O O . TRP A 1 317 ? 8.703 -49.342 -58.299 1.00 47.94 ? 317 TRP A O 1 +ATOM 3922 C CB . TRP A 1 317 ? 6.810 -51.479 -56.937 1.00 39.59 ? 317 TRP A CB 1 +ATOM 3923 C CG . TRP A 1 317 ? 5.425 -51.444 -56.365 1.00 45.54 ? 317 TRP A CG 1 +ATOM 3924 C CD1 . TRP A 1 317 ? 4.625 -52.511 -56.103 1.00 46.56 ? 317 TRP A CD1 1 +ATOM 3925 C CD2 . TRP A 1 317 ? 4.671 -50.275 -55.995 1.00 47.63 ? 317 TRP A CD2 1 +ATOM 3926 N NE1 . TRP A 1 317 ? 3.422 -52.090 -55.582 1.00 46.55 ? 317 TRP A NE1 1 +ATOM 3927 C CE2 . TRP A 1 317 ? 3.426 -50.724 -55.494 1.00 49.94 ? 317 TRP A CE2 1 +ATOM 3928 C CE3 . TRP A 1 317 ? 4.937 -48.898 -56.013 1.00 48.55 ? 317 TRP A CE3 1 +ATOM 3929 C CZ2 . TRP A 1 317 ? 2.436 -49.845 -55.031 1.00 44.11 ? 317 TRP A CZ2 1 +ATOM 3930 C CZ3 . TRP A 1 317 ? 3.953 -48.019 -55.543 1.00 42.09 ? 317 TRP A CZ3 1 +ATOM 3931 C CH2 . TRP A 1 317 ? 2.717 -48.500 -55.072 1.00 44.45 ? 317 TRP A CH2 1 +ATOM 3932 N N . ALA A 1 318 ? 9.072 -51.278 -59.390 1.00 47.17 ? 318 ALA A N 1 +ATOM 3933 C CA . ALA A 1 318 ? 10.408 -50.858 -59.816 1.00 48.64 ? 318 ALA A CA 1 +ATOM 3934 C C . ALA A 1 318 ? 10.341 -49.672 -60.765 1.00 45.80 ? 318 ALA A C 1 +ATOM 3935 O O . ALA A 1 318 ? 11.193 -48.780 -60.708 1.00 49.47 ? 318 ALA A O 1 +ATOM 3936 C CB . ALA A 1 318 ? 11.158 -52.012 -60.498 1.00 38.92 ? 318 ALA A CB 1 +ATOM 3937 N N . ASP A 1 319 ? 9.371 -49.673 -61.686 1.00 42.96 ? 319 ASP A N 1 +ATOM 3938 C CA . ASP A 1 319 ? 9.241 -48.556 -62.623 1.00 48.72 ? 319 ASP A CA 1 +ATOM 3939 C C . ASP A 1 319 ? 8.802 -47.274 -61.919 1.00 46.75 ? 319 ASP A C 1 +ATOM 3940 O O . ASP A 1 319 ? 9.198 -46.178 -62.332 1.00 41.94 ? 319 ASP A O 1 +ATOM 3941 C CB . ASP A 1 319 ? 8.267 -48.929 -63.739 1.00 44.74 ? 319 ASP A CB 1 +ATOM 3942 C CG . ASP A 1 319 ? 8.769 -50.105 -64.562 1.00 54.57 ? 319 ASP A CG 1 +ATOM 3943 O OD1 . ASP A 1 319 ? 9.720 -49.920 -65.345 1.00 50.67 ? 319 ASP A OD1 1 +ATOM 3944 O OD2 . ASP A 1 319 ? 8.252 -51.228 -64.380 1.00 49.12 ? 319 ASP A OD2 1 +ATOM 3945 N N . ILE A 1 320 ? 8.010 -47.390 -60.843 1.00 47.71 ? 320 ILE A N 1 +ATOM 3946 C CA . ILE A 1 320 ? 7.651 -46.208 -60.072 1.00 46.58 ? 320 ILE A CA 1 +ATOM 3947 C C . ILE A 1 320 ? 8.881 -45.646 -59.380 1.00 52.72 ? 320 ILE A C 1 +ATOM 3948 O O . ILE A 1 320 ? 9.074 -44.425 -59.328 1.00 51.96 ? 320 ILE A O 1 +ATOM 3949 C CB . ILE A 1 320 ? 6.544 -46.530 -59.054 1.00 49.26 ? 320 ILE A CB 1 +ATOM 3950 C CG1 . ILE A 1 320 ? 5.311 -47.123 -59.740 1.00 49.68 ? 320 ILE A CG1 1 +ATOM 3951 C CG2 . ILE A 1 320 ? 6.189 -45.253 -58.242 1.00 44.84 ? 320 ILE A CG2 1 +ATOM 3952 C CD1 . ILE A 1 320 ? 4.608 -46.179 -60.668 1.00 50.60 ? 320 ILE A CD1 1 +ATOM 3953 N N A ILE A 1 321 ? 9.725 -46.528 -58.837 0.40 45.86 ? 321 ILE A N 1 +ATOM 3954 N N B ILE A 1 321 ? 9.734 -46.513 -58.822 0.60 45.85 ? 321 ILE A N 1 +ATOM 3955 C CA A ILE A 1 321 ? 10.987 -46.061 -58.275 0.40 45.68 ? 321 ILE A CA 1 +ATOM 3956 C CA B ILE A 1 321 ? 10.992 -46.043 -58.246 0.60 45.69 ? 321 ILE A CA 1 +ATOM 3957 C C A ILE A 1 321 ? 11.794 -45.328 -59.332 0.40 49.75 ? 321 ILE A C 1 +ATOM 3958 C C B ILE A 1 321 ? 11.813 -45.316 -59.300 0.60 49.82 ? 321 ILE A C 1 +ATOM 3959 O O A ILE A 1 321 ? 12.430 -44.308 -59.056 0.40 46.64 ? 321 ILE A O 1 +ATOM 3960 O O B ILE A 1 321 ? 12.424 -44.276 -59.025 0.60 46.66 ? 321 ILE A O 1 +ATOM 3961 C CB A ILE A 1 321 ? 11.790 -47.241 -57.705 0.40 49.89 ? 321 ILE A CB 1 +ATOM 3962 C CB B ILE A 1 321 ? 11.790 -47.216 -57.647 0.60 50.06 ? 321 ILE A CB 1 +ATOM 3963 C CG1 A ILE A 1 321 ? 11.151 -47.798 -56.436 0.40 45.84 ? 321 ILE A CG1 1 +ATOM 3964 C CG1 B ILE A 1 321 ? 11.072 -47.847 -56.457 0.60 45.85 ? 321 ILE A CG1 1 +ATOM 3965 C CG2 A ILE A 1 321 ? 13.235 -46.820 -57.437 0.40 47.39 ? 321 ILE A CG2 1 +ATOM 3966 C CG2 B ILE A 1 321 ? 13.186 -46.758 -57.226 0.60 46.81 ? 321 ILE A CG2 1 +ATOM 3967 C CD1 A ILE A 1 321 ? 11.757 -49.196 -56.091 0.40 44.44 ? 321 ILE A CD1 1 +ATOM 3968 C CD1 B ILE A 1 321 ? 11.755 -49.165 -56.023 0.60 44.58 ? 321 ILE A CD1 1 +ATOM 3969 N N A ASN A 1 322 ? 11.780 -45.840 -60.564 0.40 47.87 ? 322 ASN A N 1 +ATOM 3970 N N B ASN A 1 322 ? 11.832 -45.847 -60.528 0.60 47.94 ? 322 ASN A N 1 +ATOM 3971 C CA A ASN A 1 322 ? 12.528 -45.201 -61.636 0.40 44.35 ? 322 ASN A CA 1 +ATOM 3972 C CA B ASN A 1 322 ? 12.589 -45.212 -61.600 0.60 44.23 ? 322 ASN A CA 1 +ATOM 3973 C C A ASN A 1 322 ? 12.025 -43.781 -61.896 0.40 48.60 ? 322 ASN A C 1 +ATOM 3974 C C B ASN A 1 322 ? 12.079 -43.798 -61.884 0.60 48.74 ? 322 ASN A C 1 +ATOM 3975 O O A ASN A 1 322 ? 12.825 -42.875 -62.153 0.40 45.58 ? 322 ASN A O 1 +ATOM 3976 O O B ASN A 1 322 ? 12.875 -42.894 -62.166 0.60 45.62 ? 322 ASN A O 1 +ATOM 3977 C CB A ASN A 1 322 ? 12.447 -46.053 -62.911 0.40 44.16 ? 322 ASN A CB 1 +ATOM 3978 C CB B ASN A 1 322 ? 12.532 -46.077 -62.864 0.60 44.05 ? 322 ASN A CB 1 +ATOM 3979 C CG A ASN A 1 322 ? 13.557 -45.727 -63.898 0.40 51.45 ? 322 ASN A CG 1 +ATOM 3980 C CG B ASN A 1 322 ? 13.612 -45.713 -63.868 0.60 51.68 ? 322 ASN A CG 1 +ATOM 3981 O OD1 A ASN A 1 322 ? 14.698 -45.484 -63.496 0.40 52.31 ? 322 ASN A OD1 1 +ATOM 3982 O OD1 B ASN A 1 322 ? 14.763 -45.483 -63.495 0.60 52.48 ? 322 ASN A OD1 1 +ATOM 3983 N ND2 A ASN A 1 322 ? 13.235 -45.731 -65.190 0.40 43.97 ? 322 ASN A ND2 1 +ATOM 3984 N ND2 B ASN A 1 322 ? 13.248 -45.653 -65.146 0.60 43.94 ? 322 ASN A ND2 1 +ATOM 3985 N N A ARG A 1 323 ? 10.702 -43.568 -61.847 0.40 42.83 ? 323 ARG A N 1 +ATOM 3986 N N B ARG A 1 323 ? 10.757 -43.588 -61.832 0.60 42.68 ? 323 ARG A N 1 +ATOM 3987 C CA A ARG A 1 323 ? 10.162 -42.226 -62.071 0.40 41.35 ? 323 ARG A CA 1 +ATOM 3988 C CA B ARG A 1 323 ? 10.216 -42.244 -62.053 0.60 41.32 ? 323 ARG A CA 1 +ATOM 3989 C C A ARG A 1 323 ? 10.718 -41.249 -61.038 0.40 48.52 ? 323 ARG A C 1 +ATOM 3990 C C B ARG A 1 323 ? 10.758 -41.263 -61.016 0.60 48.72 ? 323 ARG A C 1 +ATOM 3991 O O A ARG A 1 323 ? 11.154 -40.140 -61.385 0.40 45.74 ? 323 ARG A O 1 +ATOM 3992 O O B ARG A 1 323 ? 11.171 -40.146 -61.357 0.60 45.79 ? 323 ARG A O 1 +ATOM 3993 C CB A ARG A 1 323 ? 8.629 -42.242 -62.010 0.40 44.33 ? 323 ARG A CB 1 +ATOM 3994 C CB B ARG A 1 323 ? 8.686 -42.257 -61.998 0.60 44.40 ? 323 ARG A CB 1 +ATOM 3995 C CG A ARG A 1 323 ? 7.904 -43.026 -63.133 0.40 39.93 ? 323 ARG A CG 1 +ATOM 3996 C CG B ARG A 1 323 ? 7.985 -43.009 -63.118 0.60 39.90 ? 323 ARG A CG 1 +ATOM 3997 C CD A ARG A 1 323 ? 8.335 -42.548 -64.514 0.40 41.78 ? 323 ARG A CD 1 +ATOM 3998 C CD B ARG A 1 323 ? 8.415 -42.507 -64.491 0.60 41.78 ? 323 ARG A CD 1 +ATOM 3999 N NE A ARG A 1 323 ? 8.065 -41.126 -64.699 0.40 44.60 ? 323 ARG A NE 1 +ATOM 4000 N NE B ARG A 1 323 ? 8.126 -41.091 -64.691 0.60 44.54 ? 323 ARG A NE 1 +ATOM 4001 C CZ A ARG A 1 323 ? 8.310 -40.447 -65.813 0.40 51.25 ? 323 ARG A CZ 1 +ATOM 4002 C CZ B ARG A 1 323 ? 8.329 -40.436 -65.827 0.60 51.36 ? 323 ARG A CZ 1 +ATOM 4003 N NH1 A ARG A 1 323 ? 8.890 -41.015 -66.861 0.40 47.30 ? 323 ARG A NH1 1 +ATOM 4004 N NH1 B ARG A 1 323 ? 8.816 -41.044 -66.901 0.60 47.26 ? 323 ARG A NH1 1 +ATOM 4005 N NH2 A ARG A 1 323 ? 7.942 -39.170 -65.888 0.40 49.22 ? 323 ARG A NH2 1 +ATOM 4006 N NH2 B ARG A 1 323 ? 8.014 -39.146 -65.896 0.60 49.29 ? 323 ARG A NH2 1 +ATOM 4007 N N A ALA A 1 324 ? 10.717 -41.661 -59.755 0.40 45.92 ? 324 ALA A N 1 +ATOM 4008 N N B ALA A 1 324 ? 10.749 -41.668 -59.735 0.60 45.87 ? 324 ALA A N 1 +ATOM 4009 C CA A ALA A 1 324 ? 11.292 -40.843 -58.691 0.40 47.86 ? 324 ALA A CA 1 +ATOM 4010 C CA B ALA A 1 324 ? 11.325 -40.837 -58.685 0.60 47.93 ? 324 ALA A CA 1 +ATOM 4011 C C A ALA A 1 324 ? 12.781 -40.596 -58.918 0.40 46.72 ? 324 ALA A C 1 +ATOM 4012 C C B ALA A 1 324 ? 12.806 -40.575 -58.935 0.60 46.78 ? 324 ALA A C 1 +ATOM 4013 O O A ALA A 1 324 ? 13.264 -39.471 -58.728 0.40 47.18 ? 324 ALA A O 1 +ATOM 4014 O O B ALA A 1 324 ? 13.267 -39.431 -58.810 0.60 47.21 ? 324 ALA A O 1 +ATOM 4015 C CB A ALA A 1 324 ? 11.067 -41.508 -57.333 0.40 45.13 ? 324 ALA A CB 1 +ATOM 4016 C CB B ALA A 1 324 ? 11.114 -41.496 -57.322 0.60 45.15 ? 324 ALA A CB 1 +ATOM 4017 N N A ASN A 1 325 ? 13.532 -41.644 -59.282 0.40 43.07 ? 325 ASN A N 1 +ATOM 4018 N N B ASN A 1 325 ? 13.563 -41.619 -59.298 0.60 42.97 ? 325 ASN A N 1 +ATOM 4019 C CA A ASN A 1 325 ? 14.959 -41.483 -59.549 0.40 42.72 ? 325 ASN A CA 1 +ATOM 4020 C CA B ASN A 1 325 ? 14.989 -41.452 -59.569 0.60 42.66 ? 325 ASN A CA 1 +ATOM 4021 C C A ASN A 1 325 ? 15.219 -40.492 -60.680 0.40 47.25 ? 325 ASN A C 1 +ATOM 4022 C C B ASN A 1 325 ? 15.236 -40.480 -60.721 0.60 47.35 ? 325 ASN A C 1 +ATOM 4023 O O A ASN A 1 325 ? 16.195 -39.736 -60.634 0.40 45.81 ? 325 ASN A O 1 +ATOM 4024 O O B ASN A 1 325 ? 16.218 -39.729 -60.698 0.60 45.94 ? 325 ASN A O 1 +ATOM 4025 C CB A ASN A 1 325 ? 15.590 -42.829 -59.903 0.40 42.28 ? 325 ASN A CB 1 +ATOM 4026 C CB B ASN A 1 325 ? 15.640 -42.800 -59.883 0.60 42.23 ? 325 ASN A CB 1 +ATOM 4027 C CG A ASN A 1 325 ? 15.701 -43.755 -58.711 0.40 48.09 ? 325 ASN A CG 1 +ATOM 4028 C CG B ASN A 1 325 ? 15.652 -43.744 -58.691 0.60 48.20 ? 325 ASN A CG 1 +ATOM 4029 O OD1 A ASN A 1 325 ? 15.516 -43.348 -57.562 0.40 50.34 ? 325 ASN A OD1 1 +ATOM 4030 O OD1 B ASN A 1 325 ? 15.475 -43.336 -57.542 0.60 50.59 ? 325 ASN A OD1 1 +ATOM 4031 N ND2 A ASN A 1 325 ? 16.019 -45.006 -58.980 0.40 46.70 ? 325 ASN A ND2 1 +ATOM 4032 N ND2 B ASN A 1 325 ? 15.881 -45.016 -58.963 0.60 46.86 ? 325 ASN A ND2 1 +ATOM 4033 N N A LEU A 1 326 ? 14.382 -40.520 -61.729 0.40 43.18 ? 326 LEU A N 1 +ATOM 4034 N N B LEU A 1 326 ? 14.369 -40.493 -61.746 0.60 43.12 ? 326 LEU A N 1 +ATOM 4035 C CA A LEU A 1 326 ? 14.542 -39.601 -62.845 0.40 43.24 ? 326 LEU A CA 1 +ATOM 4036 C CA B LEU A 1 326 ? 14.527 -39.560 -62.855 0.60 43.22 ? 326 LEU A CA 1 +ATOM 4037 C C A LEU A 1 326 ? 14.378 -38.160 -62.388 0.40 44.95 ? 326 LEU A C 1 +ATOM 4038 C C B LEU A 1 326 ? 14.370 -38.121 -62.381 0.60 44.98 ? 326 LEU A C 1 +ATOM 4039 O O A LEU A 1 326 ? 15.142 -37.274 -62.796 0.40 43.82 ? 326 LEU A O 1 +ATOM 4040 O O B LEU A 1 326 ? 15.142 -37.240 -62.781 0.60 43.80 ? 326 LEU A O 1 +ATOM 4041 C CB A LEU A 1 326 ? 13.533 -39.928 -63.956 0.40 46.16 ? 326 LEU A CB 1 +ATOM 4042 C CB B LEU A 1 326 ? 13.523 -39.874 -63.976 0.60 46.19 ? 326 LEU A CB 1 +ATOM 4043 C CG A LEU A 1 326 ? 13.825 -41.104 -64.894 0.40 48.25 ? 326 LEU A CG 1 +ATOM 4044 C CG B LEU A 1 326 ? 13.810 -41.097 -64.867 0.60 48.41 ? 326 LEU A CG 1 +ATOM 4045 C CD1 A LEU A 1 326 ? 12.583 -41.477 -65.691 0.40 44.37 ? 326 LEU A CD1 1 +ATOM 4046 C CD1 B LEU A 1 326 ? 12.575 -41.512 -65.633 0.60 44.37 ? 326 LEU A CD1 1 +ATOM 4047 C CD2 A LEU A 1 326 ? 14.987 -40.773 -65.828 0.40 42.71 ? 326 LEU A CD2 1 +ATOM 4048 C CD2 B LEU A 1 326 ? 14.955 -40.831 -65.831 0.60 42.66 ? 326 LEU A CD2 1 +ATOM 4049 N N A GLY A 1 327 ? 13.383 -37.906 -61.537 0.40 47.70 ? 327 GLY A N 1 +ATOM 4050 N N B GLY A 1 327 ? 13.375 -37.865 -61.525 0.60 47.90 ? 327 GLY A N 1 +ATOM 4051 C CA A GLY A 1 327 ? 13.182 -36.554 -61.040 0.40 45.81 ? 327 GLY A CA 1 +ATOM 4052 C CA B GLY A 1 327 ? 13.189 -36.517 -61.003 0.60 45.84 ? 327 GLY A CA 1 +ATOM 4053 C C A GLY A 1 327 ? 14.367 -36.053 -60.232 0.40 46.71 ? 327 GLY A C 1 +ATOM 4054 C C B GLY A 1 327 ? 14.407 -36.017 -60.247 0.60 46.78 ? 327 GLY A C 1 +ATOM 4055 O O A GLY A 1 327 ? 14.729 -34.880 -60.308 0.40 47.54 ? 327 GLY A O 1 +ATOM 4056 O O B GLY A 1 327 ? 14.804 -34.854 -60.383 0.60 47.71 ? 327 GLY A O 1 +ATOM 4057 N N A MET A 1 328 ? 14.987 -36.938 -59.450 0.40 44.17 ? 328 MET A N 1 +ATOM 4058 N N B MET A 1 328 ? 15.022 -36.894 -59.450 0.60 44.17 ? 328 MET A N 1 +ATOM 4059 C CA A MET A 1 328 ? 16.234 -36.577 -58.783 0.40 45.01 ? 328 MET A CA 1 +ATOM 4060 C CA B MET A 1 328 ? 16.269 -36.548 -58.778 0.60 45.02 ? 328 MET A CA 1 +ATOM 4061 C C A MET A 1 328 ? 17.340 -36.319 -59.797 0.40 47.80 ? 328 MET A C 1 +ATOM 4062 C C B MET A 1 328 ? 17.379 -36.311 -59.784 0.60 48.00 ? 328 MET A C 1 +ATOM 4063 O O A MET A 1 328 ? 18.093 -35.350 -59.668 0.40 44.37 ? 328 MET A O 1 +ATOM 4064 O O B MET A 1 328 ? 18.157 -35.356 -59.651 0.60 44.38 ? 328 MET A O 1 +ATOM 4065 C CB A MET A 1 328 ? 16.658 -37.681 -57.824 0.40 45.30 ? 328 MET A CB 1 +ATOM 4066 C CB B MET A 1 328 ? 16.686 -37.658 -57.817 0.60 45.30 ? 328 MET A CB 1 +ATOM 4067 C CG A MET A 1 328 ? 15.643 -38.017 -56.743 0.40 49.47 ? 328 MET A CG 1 +ATOM 4068 C CG B MET A 1 328 ? 15.631 -38.078 -56.792 0.60 49.80 ? 328 MET A CG 1 +ATOM 4069 S SD A MET A 1 328 ? 16.171 -39.569 -55.978 0.40 46.66 ? 328 MET A SD 1 +ATOM 4070 S SD B MET A 1 328 ? 16.127 -39.616 -55.970 0.60 46.65 ? 328 MET A SD 1 +ATOM 4071 C CE A MET A 1 328 ? 14.596 -40.420 -55.736 0.40 45.24 ? 328 MET A CE 1 +ATOM 4072 C CE B MET A 1 328 ? 14.547 -40.418 -55.710 0.60 45.28 ? 328 MET A CE 1 +ATOM 4073 N N A GLU A 1 329 ? 17.469 -37.204 -60.798 0.40 40.21 ? 329 GLU A N 1 +ATOM 4074 N N B GLU A 1 329 ? 17.474 -37.187 -60.789 0.60 40.07 ? 329 GLU A N 1 +ATOM 4075 C CA A GLU A 1 329 ? 18.536 -37.089 -61.788 0.40 43.25 ? 329 GLU A CA 1 +ATOM 4076 C CA B GLU A 1 329 ? 18.542 -37.096 -61.774 0.60 43.22 ? 329 GLU A CA 1 +ATOM 4077 C C A GLU A 1 329 ? 18.469 -35.767 -62.544 0.40 46.39 ? 329 GLU A C 1 +ATOM 4078 C C B GLU A 1 329 ? 18.495 -35.772 -62.530 0.60 46.50 ? 329 GLU A C 1 +ATOM 4079 O O A GLU A 1 329 ? 19.479 -35.063 -62.668 0.40 46.43 ? 329 GLU A O 1 +ATOM 4080 O O B GLU A 1 329 ? 19.513 -35.080 -62.647 0.60 46.52 ? 329 GLU A O 1 +ATOM 4081 C CB A GLU A 1 329 ? 18.467 -38.262 -62.776 0.40 42.55 ? 329 GLU A CB 1 +ATOM 4082 C CB B GLU A 1 329 ? 18.451 -38.261 -62.762 0.60 42.42 ? 329 GLU A CB 1 +ATOM 4083 C CG A GLU A 1 329 ? 19.208 -38.018 -64.106 0.40 48.20 ? 329 GLU A CG 1 +ATOM 4084 C CG B GLU A 1 329 ? 19.369 -38.095 -63.971 0.60 48.10 ? 329 GLU A CG 1 +ATOM 4085 C CD A GLU A 1 329 ? 19.071 -39.182 -65.085 0.40 50.03 ? 329 GLU A CD 1 +ATOM 4086 C CD B GLU A 1 329 ? 19.176 -39.181 -65.015 0.60 50.08 ? 329 GLU A CD 1 +ATOM 4087 O OE1 A GLU A 1 329 ? 19.055 -40.346 -64.645 0.40 54.24 ? 329 GLU A OE1 1 +ATOM 4088 O OE1 B GLU A 1 329 ? 19.283 -40.367 -64.664 0.60 55.14 ? 329 GLU A OE1 1 +ATOM 4089 O OE2 A GLU A 1 329 ? 18.937 -38.940 -66.288 0.40 55.26 ? 329 GLU A OE2 1 +ATOM 4090 O OE2 B GLU A 1 329 ? 18.898 -38.856 -66.180 0.60 55.17 ? 329 GLU A OE2 1 +ATOM 4091 N N A VAL A 1 330 ? 17.288 -35.413 -63.067 0.40 42.20 ? 330 VAL A N 1 +ATOM 4092 N N B VAL A 1 330 ? 17.321 -35.405 -63.056 0.60 42.15 ? 330 VAL A N 1 +ATOM 4093 C CA A VAL A 1 330 ? 17.219 -34.245 -63.947 0.40 45.03 ? 330 VAL A CA 1 +ATOM 4094 C CA B VAL A 1 330 ? 17.249 -34.237 -63.942 0.60 45.06 ? 330 VAL A CA 1 +ATOM 4095 C C A VAL A 1 330 ? 17.388 -32.940 -63.179 0.40 44.40 ? 330 VAL A C 1 +ATOM 4096 C C B VAL A 1 330 ? 17.449 -32.930 -63.185 0.60 44.43 ? 330 VAL A C 1 +ATOM 4097 O O A VAL A 1 330 ? 17.784 -31.928 -63.771 0.40 48.20 ? 330 VAL A O 1 +ATOM 4098 O O B VAL A 1 330 ? 17.852 -31.929 -63.787 0.60 48.37 ? 330 VAL A O 1 +ATOM 4099 C CB A VAL A 1 330 ? 15.903 -34.203 -64.758 0.40 43.66 ? 330 VAL A CB 1 +ATOM 4100 C CB B VAL A 1 330 ? 15.916 -34.198 -64.721 0.60 43.62 ? 330 VAL A CB 1 +ATOM 4101 C CG1 A VAL A 1 330 ? 15.766 -35.449 -65.670 0.40 43.48 ? 330 VAL A CG1 1 +ATOM 4102 C CG1 B VAL A 1 330 ? 15.759 -35.439 -65.620 0.60 43.46 ? 330 VAL A CG1 1 +ATOM 4103 C CG2 A VAL A 1 330 ? 14.685 -34.018 -63.839 0.40 40.48 ? 330 VAL A CG2 1 +ATOM 4104 C CG2 B VAL A 1 330 ? 14.741 -34.066 -63.761 0.60 40.36 ? 330 VAL A CG2 1 +ATOM 4105 N N A MET A 1 331 ? 17.111 -32.926 -61.870 0.40 45.89 ? 331 MET A N 1 +ATOM 4106 N N B MET A 1 331 ? 17.202 -32.907 -61.874 0.60 45.98 ? 331 MET A N 1 +ATOM 4107 C CA A MET A 1 331 ? 17.211 -31.673 -61.129 0.40 42.56 ? 331 MET A CA 1 +ATOM 4108 C CA B MET A 1 331 ? 17.306 -31.663 -61.129 0.60 42.53 ? 331 MET A CA 1 +ATOM 4109 C C A MET A 1 331 ? 18.561 -31.473 -60.449 0.40 43.44 ? 331 MET A C 1 +ATOM 4110 C C B MET A 1 331 ? 18.640 -31.471 -60.419 0.60 43.36 ? 331 MET A C 1 +ATOM 4111 O O A MET A 1 331 ? 18.935 -30.332 -60.186 0.40 48.72 ? 331 MET A O 1 +ATOM 4112 O O B MET A 1 331 ? 18.997 -30.330 -60.125 0.60 48.98 ? 331 MET A O 1 +ATOM 4113 C CB A MET A 1 331 ? 16.094 -31.573 -60.077 0.40 40.82 ? 331 MET A CB 1 +ATOM 4114 C CB B MET A 1 331 ? 16.172 -31.558 -60.100 0.60 40.79 ? 331 MET A CB 1 +ATOM 4115 C CG A MET A 1 331 ? 14.709 -31.292 -60.667 0.40 44.68 ? 331 MET A CG 1 +ATOM 4116 C CG B MET A 1 331 ? 14.802 -31.316 -60.711 0.60 44.73 ? 331 MET A CG 1 +ATOM 4117 S SD A MET A 1 331 ? 14.627 -29.859 -61.794 0.40 52.64 ? 331 MET A SD 1 +ATOM 4118 S SD B MET A 1 331 ? 14.713 -29.887 -61.820 0.60 52.78 ? 331 MET A SD 1 +ATOM 4119 C CE A MET A 1 331 ? 14.816 -28.456 -60.691 0.40 49.91 ? 331 MET A CE 1 +ATOM 4120 C CE B MET A 1 331 ? 15.002 -28.505 -60.705 0.60 50.38 ? 331 MET A CE 1 +ATOM 4121 N N A HIS A 1 332 ? 19.296 -32.534 -60.126 0.40 41.74 ? 332 HIS A N 1 +ATOM 4122 N N B HIS A 1 332 ? 19.376 -32.533 -60.113 0.60 41.72 ? 332 HIS A N 1 +ATOM 4123 C CA A HIS A 1 332 ? 20.504 -32.344 -59.331 0.40 41.66 ? 332 HIS A CA 1 +ATOM 4124 C CA B HIS A 1 332 ? 20.565 -32.363 -59.290 0.60 41.70 ? 332 HIS A CA 1 +ATOM 4125 C C A HIS A 1 332 ? 21.542 -31.580 -60.134 0.40 43.76 ? 332 HIS A C 1 +ATOM 4126 C C B HIS A 1 332 ? 21.627 -31.611 -60.079 0.60 43.86 ? 332 HIS A C 1 +ATOM 4127 O O A HIS A 1 332 ? 21.654 -31.755 -61.352 0.40 43.79 ? 332 HIS A O 1 +ATOM 4128 O O B HIS A 1 332 ? 21.758 -31.797 -61.292 0.60 44.09 ? 332 HIS A O 1 +ATOM 4129 C CB A HIS A 1 332 ? 21.068 -33.693 -58.863 0.40 38.32 ? 332 HIS A CB 1 +ATOM 4130 C CB B HIS A 1 332 ? 21.098 -33.722 -58.814 0.60 38.07 ? 332 HIS A CB 1 +ATOM 4131 C CG A HIS A 1 332 ? 21.996 -34.351 -59.835 0.40 49.32 ? 332 HIS A CG 1 +ATOM 4132 C CG B HIS A 1 332 ? 21.996 -34.405 -59.797 0.60 49.43 ? 332 HIS A CG 1 +ATOM 4133 N ND1 A HIS A 1 332 ? 21.585 -34.822 -61.070 0.40 45.33 ? 332 HIS A ND1 1 +ATOM 4134 N ND1 B HIS A 1 332 ? 21.546 -34.893 -61.009 0.60 45.43 ? 332 HIS A ND1 1 +ATOM 4135 C CD2 A HIS A 1 332 ? 23.321 -34.630 -59.743 0.40 44.99 ? 332 HIS A CD2 1 +ATOM 4136 C CD2 B HIS A 1 332 ? 23.324 -34.678 -59.750 0.60 45.03 ? 332 HIS A CD2 1 +ATOM 4137 C CE1 A HIS A 1 332 ? 22.617 -35.375 -61.690 0.40 42.64 ? 332 HIS A CE1 1 +ATOM 4138 C CE1 B HIS A 1 332 ? 22.557 -35.441 -61.661 0.60 42.57 ? 332 HIS A CE1 1 +ATOM 4139 N NE2 A HIS A 1 332 ? 23.682 -35.270 -60.907 0.40 45.78 ? 332 HIS A NE2 1 +ATOM 4140 N NE2 B HIS A 1 332 ? 23.646 -35.325 -60.919 0.60 45.91 ? 332 HIS A NE2 1 +ATOM 4141 N N A GLU A 1 333 ? 22.264 -30.688 -59.456 0.40 39.76 ? 333 GLU A N 1 +ATOM 4142 N N B GLU A 1 333 ? 22.358 -30.737 -59.385 0.60 39.66 ? 333 GLU A N 1 +ATOM 4143 C CA A GLU A 1 333 ? 23.341 -29.917 -60.073 0.40 43.55 ? 333 GLU A CA 1 +ATOM 4144 C CA B GLU A 1 333 ? 23.431 -29.940 -59.974 0.60 43.78 ? 333 GLU A CA 1 +ATOM 4145 C C A GLU A 1 333 ? 22.871 -29.300 -61.388 0.40 47.58 ? 333 GLU A C 1 +ATOM 4146 C C B GLU A 1 333 ? 22.974 -29.315 -61.290 0.60 47.78 ? 333 GLU A C 1 +ATOM 4147 O O A GLU A 1 333 ? 23.439 -29.523 -62.467 0.40 42.17 ? 333 GLU A O 1 +ATOM 4148 O O B GLU A 1 333 ? 23.558 -29.529 -62.360 0.60 41.70 ? 333 GLU A O 1 +ATOM 4149 C CB A GLU A 1 333 ? 24.576 -30.801 -60.268 0.40 42.18 ? 333 GLU A CB 1 +ATOM 4150 C CB B GLU A 1 333 ? 24.687 -30.789 -60.159 0.60 42.23 ? 333 GLU A CB 1 +ATOM 4151 C CG A GLU A 1 333 ? 25.155 -31.235 -58.936 0.40 41.65 ? 333 GLU A CG 1 +ATOM 4152 C CG B GLU A 1 333 ? 25.234 -31.280 -58.838 0.60 41.38 ? 333 GLU A CG 1 +ATOM 4153 C CD A GLU A 1 333 ? 26.162 -32.374 -59.045 0.40 45.71 ? 333 GLU A CD 1 +ATOM 4154 C CD B GLU A 1 333 ? 26.200 -32.432 -58.983 0.60 45.80 ? 333 GLU A CD 1 +ATOM 4155 O OE1 A GLU A 1 333 ? 26.463 -32.842 -60.172 0.40 42.96 ? 333 GLU A OE1 1 +ATOM 4156 O OE1 B GLU A 1 333 ? 26.490 -32.866 -60.131 0.60 42.88 ? 333 GLU A OE1 1 +ATOM 4157 O OE2 A GLU A 1 333 ? 26.632 -32.796 -57.976 0.40 45.91 ? 333 GLU A OE2 1 +ATOM 4158 O OE2 B GLU A 1 333 ? 26.656 -32.908 -57.929 0.60 46.18 ? 333 GLU A OE2 1 +ATOM 4159 N N A ARG A 1 334 ? 21.801 -28.509 -61.264 0.40 39.55 ? 334 ARG A N 1 +ATOM 4160 N N B ARG A 1 334 ? 21.911 -28.516 -61.173 0.60 39.16 ? 334 ARG A N 1 +ATOM 4161 C CA A ARG A 1 334 ? 20.988 -28.126 -62.411 0.40 44.79 ? 334 ARG A CA 1 +ATOM 4162 C CA B ARG A 1 334 ? 21.087 -28.166 -62.323 0.60 44.84 ? 334 ARG A CA 1 +ATOM 4163 C C A ARG A 1 334 ? 21.750 -27.312 -63.462 0.40 49.18 ? 334 ARG A C 1 +ATOM 4164 C C B ARG A 1 334 ? 21.830 -27.364 -63.398 0.60 49.45 ? 334 ARG A C 1 +ATOM 4165 O O A ARG A 1 334 ? 21.285 -27.211 -64.604 0.40 46.25 ? 334 ARG A O 1 +ATOM 4166 O O B ARG A 1 334 ? 21.366 -27.317 -64.543 0.60 46.58 ? 334 ARG A O 1 +ATOM 4167 C CB A ARG A 1 334 ? 19.781 -27.341 -61.909 0.40 41.55 ? 334 ARG A CB 1 +ATOM 4168 C CB B ARG A 1 334 ? 19.861 -27.393 -61.838 0.60 41.50 ? 334 ARG A CB 1 +ATOM 4169 C CG A ARG A 1 334 ? 20.184 -26.021 -61.275 0.40 41.93 ? 334 ARG A CG 1 +ATOM 4170 C CG B ARG A 1 334 ? 20.224 -26.038 -61.301 0.60 41.88 ? 334 ARG A CG 1 +ATOM 4171 C CD A ARG A 1 334 ? 19.150 -25.464 -60.291 0.40 43.97 ? 334 ARG A CD 1 +ATOM 4172 C CD B ARG A 1 334 ? 19.243 -25.514 -60.261 0.60 44.03 ? 334 ARG A CD 1 +ATOM 4173 N NE A ARG A 1 334 ? 19.682 -24.249 -59.694 0.40 45.50 ? 334 ARG A NE 1 +ATOM 4174 N NE B ARG A 1 334 ? 19.764 -24.277 -59.701 0.60 45.61 ? 334 ARG A NE 1 +ATOM 4175 C CZ A ARG A 1 334 ? 20.652 -24.246 -58.794 0.40 47.04 ? 334 ARG A CZ 1 +ATOM 4176 C CZ B ARG A 1 334 ? 20.714 -24.228 -58.781 0.60 47.12 ? 334 ARG A CZ 1 +ATOM 4177 N NH1 A ARG A 1 334 ? 21.080 -25.372 -58.241 0.40 46.99 ? 334 ARG A NH1 1 +ATOM 4178 N NH1 B ARG A 1 334 ? 21.164 -25.331 -58.195 0.60 47.22 ? 334 ARG A NH1 1 +ATOM 4179 N NH2 A ARG A 1 334 ? 21.219 -23.091 -58.457 0.40 45.59 ? 334 ARG A NH2 1 +ATOM 4180 N NH2 B ARG A 1 334 ? 21.229 -23.051 -58.447 0.60 45.61 ? 334 ARG A NH2 1 +ATOM 4181 N N A ASN A 1 335 ? 22.895 -26.719 -63.123 0.40 43.93 ? 335 ASN A N 1 +ATOM 4182 N N B ASN A 1 335 ? 22.963 -26.737 -63.082 0.60 43.88 ? 335 ASN A N 1 +ATOM 4183 C CA A ASN A 1 335 ? 23.631 -25.902 -64.084 0.40 41.90 ? 335 ASN A CA 1 +ATOM 4184 C CA B ASN A 1 335 ? 23.696 -25.973 -64.088 0.60 41.95 ? 335 ASN A CA 1 +ATOM 4185 C C A ASN A 1 335 ? 24.939 -26.546 -64.539 0.40 47.36 ? 335 ASN A C 1 +ATOM 4186 C C B ASN A 1 335 ? 25.017 -26.620 -64.488 0.60 47.41 ? 335 ASN A C 1 +ATOM 4187 O O A ASN A 1 335 ? 25.689 -25.931 -65.304 0.40 45.08 ? 335 ASN A O 1 +ATOM 4188 O O B ASN A 1 335 ? 25.809 -25.993 -65.201 0.60 45.54 ? 335 ASN A O 1 +ATOM 4189 C CB A ASN A 1 335 ? 23.905 -24.514 -63.504 0.40 40.78 ? 335 ASN A CB 1 +ATOM 4190 C CB B ASN A 1 335 ? 23.957 -24.547 -63.603 0.60 40.40 ? 335 ASN A CB 1 +ATOM 4191 C CG A ASN A 1 335 ? 22.633 -23.743 -63.234 0.40 48.50 ? 335 ASN A CG 1 +ATOM 4192 C CG B ASN A 1 335 ? 22.688 -23.806 -63.283 0.60 48.66 ? 335 ASN A CG 1 +ATOM 4193 O OD1 A ASN A 1 335 ? 21.724 -23.733 -64.055 0.40 44.26 ? 335 ASN A OD1 1 +ATOM 4194 O OD1 B ASN A 1 335 ? 21.735 -23.824 -64.063 0.60 44.25 ? 335 ASN A OD1 1 +ATOM 4195 N ND2 A ASN A 1 335 ? 22.547 -23.118 -62.057 0.40 41.53 ? 335 ASN A ND2 1 +ATOM 4196 N ND2 B ASN A 1 335 ? 22.659 -23.154 -62.125 0.60 41.24 ? 335 ASN A ND2 1 +ATOM 4197 N N A ALA A 1 336 ? 25.207 -27.786 -64.137 0.40 44.95 ? 336 ALA A N 1 +ATOM 4198 N N B ALA A 1 336 ? 25.256 -27.859 -64.082 0.60 45.07 ? 336 ALA A N 1 +ATOM 4199 C CA A ALA A 1 336 ? 26.540 -28.358 -64.250 0.40 48.96 ? 336 ALA A CA 1 +ATOM 4200 C CA B ALA A 1 336 ? 26.584 -28.450 -64.149 0.60 48.95 ? 336 ALA A CA 1 +ATOM 4201 C C A ALA A 1 336 ? 26.727 -29.283 -65.441 0.40 48.08 ? 336 ALA A C 1 +ATOM 4202 C C B ALA A 1 336 ? 26.799 -29.350 -65.355 0.60 48.13 ? 336 ALA A C 1 +ATOM 4203 O O A ALA A 1 336 ? 27.867 -29.662 -65.719 0.40 50.06 ? 336 ALA A O 1 +ATOM 4204 O O B ALA A 1 336 ? 27.932 -29.778 -65.583 0.60 50.02 ? 336 ALA A O 1 +ATOM 4205 C CB A ALA A 1 336 ? 26.898 -29.124 -62.969 0.40 42.93 ? 336 ALA A CB 1 +ATOM 4206 C CB B ALA A 1 336 ? 26.872 -29.251 -62.872 0.60 42.73 ? 336 ALA A CB 1 +ATOM 4207 N N A HIS A 1 337 ? 25.665 -29.660 -66.150 0.40 41.90 ? 337 HIS A N 1 +ATOM 4208 N N B HIS A 1 337 ? 25.760 -29.660 -66.121 0.60 41.80 ? 337 HIS A N 1 +ATOM 4209 C CA A HIS A 1 337 ? 25.781 -30.617 -67.250 0.40 49.98 ? 337 HIS A CA 1 +ATOM 4210 C CA B HIS A 1 337 ? 25.879 -30.602 -67.229 0.60 50.07 ? 337 HIS A CA 1 +ATOM 4211 C C A HIS A 1 337 ? 25.492 -29.936 -68.580 0.40 50.12 ? 337 HIS A C 1 +ATOM 4212 C C B HIS A 1 337 ? 25.586 -29.887 -68.540 0.60 50.33 ? 337 HIS A C 1 +ATOM 4213 O O A HIS A 1 337 ? 24.479 -29.240 -68.726 0.40 44.94 ? 337 HIS A O 1 +ATOM 4214 O O B HIS A 1 337 ? 24.599 -29.148 -68.647 0.60 44.80 ? 337 HIS A O 1 +ATOM 4215 C CB A HIS A 1 337 ? 24.845 -31.816 -67.054 0.40 42.46 ? 337 HIS A CB 1 +ATOM 4216 C CB B HIS A 1 337 ? 24.940 -31.801 -67.047 0.60 42.34 ? 337 HIS A CB 1 +ATOM 4217 C CG A HIS A 1 337 ? 24.910 -32.402 -65.675 0.40 47.83 ? 337 HIS A CG 1 +ATOM 4218 C CG B HIS A 1 337 ? 24.973 -32.380 -65.664 0.60 47.99 ? 337 HIS A CG 1 +ATOM 4219 N ND1 A HIS A 1 337 ? 24.091 -31.979 -64.650 0.40 44.92 ? 337 HIS A ND1 1 +ATOM 4220 N ND1 B HIS A 1 337 ? 24.100 -31.983 -64.672 0.60 44.92 ? 337 HIS A ND1 1 +ATOM 4221 C CD2 A HIS A 1 337 ? 25.722 -33.351 -65.144 0.40 44.74 ? 337 HIS A CD2 1 +ATOM 4222 C CD2 B HIS A 1 337 ? 25.795 -33.301 -65.097 0.60 44.68 ? 337 HIS A CD2 1 +ATOM 4223 C CE1 A HIS A 1 337 ? 24.382 -32.656 -63.549 0.40 47.34 ? 337 HIS A CE1 1 +ATOM 4224 C CE1 B HIS A 1 337 ? 24.371 -32.649 -63.561 0.60 47.47 ? 337 HIS A CE1 1 +ATOM 4225 N NE2 A HIS A 1 337 ? 25.376 -33.487 -63.819 0.40 44.54 ? 337 HIS A NE2 1 +ATOM 4226 N NE2 B HIS A 1 337 ? 25.394 -33.455 -63.792 0.60 44.46 ? 337 HIS A NE2 1 +ATOM 4227 N N A ASN A 1 338 ? 26.387 -30.141 -69.549 0.40 43.92 ? 338 ASN A N 1 +ATOM 4228 N N B ASN A 1 338 ? 26.460 -30.095 -69.525 0.60 43.80 ? 338 ASN A N 1 +ATOM 4229 C CA A ASN A 1 338 ? 26.197 -29.601 -70.889 0.40 47.98 ? 338 ASN A CA 1 +ATOM 4230 C CA B ASN A 1 338 ? 26.246 -29.565 -70.864 0.60 48.04 ? 338 ASN A CA 1 +ATOM 4231 C C A ASN A 1 338 ? 25.852 -30.668 -71.908 0.40 47.77 ? 338 ASN A C 1 +ATOM 4232 C C B ASN A 1 338 ? 25.898 -30.643 -71.875 0.60 47.78 ? 338 ASN A C 1 +ATOM 4233 O O A ASN A 1 338 ? 25.330 -30.339 -72.977 0.40 48.56 ? 338 ASN A O 1 +ATOM 4234 O O B ASN A 1 338 ? 25.389 -30.322 -72.955 0.60 48.70 ? 338 ASN A O 1 +ATOM 4235 C CB A ASN A 1 338 ? 27.458 -28.856 -71.354 0.40 45.84 ? 338 ASN A CB 1 +ATOM 4236 C CB B ASN A 1 338 ? 27.490 -28.803 -71.344 0.60 45.89 ? 338 ASN A CB 1 +ATOM 4237 C CG A ASN A 1 338 ? 27.765 -27.645 -70.485 0.40 53.20 ? 338 ASN A CG 1 +ATOM 4238 C CG B ASN A 1 338 ? 27.820 -27.614 -70.454 0.60 53.35 ? 338 ASN A CG 1 +ATOM 4239 O OD1 A ASN A 1 338 ? 26.898 -27.159 -69.781 0.40 47.41 ? 338 ASN A OD1 1 +ATOM 4240 O OD1 B ASN A 1 338 ? 26.953 -27.112 -69.742 0.60 47.45 ? 338 ASN A OD1 1 +ATOM 4241 N ND2 A ASN A 1 338 ? 28.993 -27.165 -70.532 0.40 47.92 ? 338 ASN A ND2 1 +ATOM 4242 N ND2 B ASN A 1 338 ? 29.070 -27.156 -70.497 0.60 47.90 ? 338 ASN A ND2 1 +ATOM 4243 N N A PHE A 1 339 ? 26.132 -31.922 -71.605 0.40 48.50 ? 339 PHE A N 1 +ATOM 4244 N N B PHE A 1 339 ? 26.137 -31.901 -71.545 0.60 48.52 ? 339 PHE A N 1 +ATOM 4245 C CA A PHE A 1 339 ? 25.943 -33.008 -72.542 0.40 51.46 ? 339 PHE A CA 1 +ATOM 4246 C CA B PHE A 1 339 ? 25.938 -33.000 -72.465 0.60 51.49 ? 339 PHE A CA 1 +ATOM 4247 C C A PHE A 1 339 ? 24.968 -34.007 -71.931 0.40 51.38 ? 339 PHE A C 1 +ATOM 4248 C C B PHE A 1 339 ? 24.976 -34.003 -71.836 0.60 51.43 ? 339 PHE A C 1 +ATOM 4249 O O A PHE A 1 339 ? 24.740 -33.988 -70.715 0.40 47.55 ? 339 PHE A O 1 +ATOM 4250 O O B PHE A 1 339 ? 24.804 -34.022 -70.610 0.60 47.61 ? 339 PHE A O 1 +ATOM 4251 C CB A PHE A 1 339 ? 27.319 -33.598 -72.888 0.40 48.98 ? 339 PHE A CB 1 +ATOM 4252 C CB B PHE A 1 339 ? 27.304 -33.601 -72.828 0.60 48.93 ? 339 PHE A CB 1 +ATOM 4253 C CG A PHE A 1 339 ? 28.291 -32.532 -73.369 0.40 51.58 ? 339 PHE A CG 1 +ATOM 4254 C CG B PHE A 1 339 ? 28.300 -32.546 -73.287 0.60 51.72 ? 339 PHE A CG 1 +ATOM 4255 C CD1 A PHE A 1 339 ? 27.963 -31.738 -74.466 0.40 46.81 ? 339 PHE A CD1 1 +ATOM 4256 C CD1 B PHE A 1 339 ? 28.026 -31.750 -74.402 0.60 46.81 ? 339 PHE A CD1 1 +ATOM 4257 C CD2 A PHE A 1 339 ? 29.470 -32.258 -72.682 0.40 53.45 ? 339 PHE A CD2 1 +ATOM 4258 C CD2 B PHE A 1 339 ? 29.470 -32.302 -72.576 0.60 53.62 ? 339 PHE A CD2 1 +ATOM 4259 C CE1 A PHE A 1 339 ? 28.824 -30.709 -74.908 0.40 47.68 ? 339 PHE A CE1 1 +ATOM 4260 C CE1 B PHE A 1 339 ? 28.920 -30.753 -74.820 0.60 48.05 ? 339 PHE A CE1 1 +ATOM 4261 C CE2 A PHE A 1 339 ? 30.333 -31.232 -73.104 0.40 47.11 ? 339 PHE A CE2 1 +ATOM 4262 C CE2 B PHE A 1 339 ? 30.371 -31.298 -72.986 0.60 46.99 ? 339 PHE A CE2 1 +ATOM 4263 C CZ A PHE A 1 339 ? 30.011 -30.460 -74.227 0.40 48.69 ? 339 PHE A CZ 1 +ATOM 4264 C CZ B PHE A 1 339 ? 30.090 -30.527 -74.109 0.60 48.83 ? 339 PHE A CZ 1 +ATOM 4265 N N A PRO A 1 340 ? 24.304 -34.830 -72.756 0.40 50.17 ? 340 PRO A N 1 +ATOM 4266 N N B PRO A 1 340 ? 24.273 -34.797 -72.654 0.60 50.09 ? 340 PRO A N 1 +ATOM 4267 C CA A PRO A 1 340 ? 23.063 -35.495 -72.301 0.40 50.12 ? 340 PRO A CA 1 +ATOM 4268 C CA B PRO A 1 340 ? 23.032 -35.438 -72.177 0.60 49.78 ? 340 PRO A CA 1 +ATOM 4269 C C A PRO A 1 340 ? 23.238 -36.595 -71.263 0.40 50.98 ? 340 PRO A C 1 +ATOM 4270 C C B PRO A 1 340 ? 23.230 -36.557 -71.173 0.60 50.99 ? 340 PRO A C 1 +ATOM 4271 O O A PRO A 1 340 ? 22.240 -36.970 -70.645 0.40 48.63 ? 340 PRO A O 1 +ATOM 4272 O O B PRO A 1 340 ? 22.254 -36.926 -70.513 0.60 48.38 ? 340 PRO A O 1 +ATOM 4273 C CB A PRO A 1 340 ? 22.471 -36.076 -73.602 0.40 51.51 ? 340 PRO A CB 1 +ATOM 4274 C CB B PRO A 1 340 ? 22.398 -35.979 -73.469 0.60 51.67 ? 340 PRO A CB 1 +ATOM 4275 C CG A PRO A 1 340 ? 23.633 -36.204 -74.531 0.40 45.36 ? 340 PRO A CG 1 +ATOM 4276 C CG B PRO A 1 340 ? 23.548 -36.133 -74.411 0.60 45.36 ? 340 PRO A CG 1 +ATOM 4277 C CD A PRO A 1 340 ? 24.520 -35.015 -74.201 0.40 48.78 ? 340 PRO A CD 1 +ATOM 4278 C CD B PRO A 1 340 ? 24.482 -35.012 -74.098 0.60 48.85 ? 340 PRO A CD 1 +ATOM 4279 N N A LEU A 1 341 ? 24.428 -37.149 -71.061 0.40 46.77 ? 341 LEU A N 1 +ATOM 4280 N N B LEU A 1 341 ? 24.426 -37.118 -71.039 0.60 46.66 ? 341 LEU A N 1 +ATOM 4281 C CA A LEU A 1 341 ? 24.610 -38.271 -70.148 0.40 50.52 ? 341 LEU A CA 1 +ATOM 4282 C CA B LEU A 1 341 ? 24.666 -38.226 -70.126 0.60 50.59 ? 341 LEU A CA 1 +ATOM 4283 C C A LEU A 1 341 ? 25.466 -37.836 -68.971 0.40 52.32 ? 341 LEU A C 1 +ATOM 4284 C C B LEU A 1 341 ? 25.540 -37.747 -68.978 0.60 52.63 ? 341 LEU A C 1 +ATOM 4285 O O A LEU A 1 341 ? 26.517 -37.210 -69.158 0.40 48.09 ? 341 LEU A O 1 +ATOM 4286 O O B LEU A 1 341 ? 26.566 -37.092 -69.200 0.60 47.98 ? 341 LEU A O 1 +ATOM 4287 C CB A LEU A 1 341 ? 25.267 -39.464 -70.845 0.40 49.74 ? 341 LEU A CB 1 +ATOM 4288 C CB B LEU A 1 341 ? 25.338 -39.410 -70.830 0.60 49.73 ? 341 LEU A CB 1 +ATOM 4289 C CG A LEU A 1 341 ? 24.583 -40.008 -72.106 0.40 55.95 ? 341 LEU A CG 1 +ATOM 4290 C CG B LEU A 1 341 ? 24.645 -40.017 -72.051 0.60 56.12 ? 341 LEU A CG 1 +ATOM 4291 C CD1 A LEU A 1 341 ? 25.325 -41.255 -72.597 0.40 54.66 ? 341 LEU A CD1 1 +ATOM 4292 C CD1 B LEU A 1 341 ? 25.345 -41.317 -72.430 0.60 54.21 ? 341 LEU A CD1 1 +ATOM 4293 C CD2 A LEU A 1 341 ? 23.115 -40.324 -71.824 0.40 54.27 ? 341 LEU A CD2 1 +ATOM 4294 C CD2 B LEU A 1 341 ? 23.166 -40.251 -71.765 0.60 54.31 ? 341 LEU A CD2 1 +ATOM 4295 N N A ASP A 1 342 ? 25.019 -38.178 -67.764 0.40 44.05 ? 342 ASP A N 1 +ATOM 4296 N N B ASP A 1 342 ? 25.118 -38.073 -67.757 0.60 43.95 ? 342 ASP A N 1 +ATOM 4297 C CA A ASP A 1 342 ? 25.767 -37.886 -66.550 0.40 47.25 ? 342 ASP A CA 1 +ATOM 4298 C CA B ASP A 1 342 ? 25.854 -37.746 -66.544 0.60 47.15 ? 342 ASP A CA 1 +ATOM 4299 C C A ASP A 1 342 ? 26.646 -39.108 -66.293 0.40 44.77 ? 342 ASP A C 1 +ATOM 4300 C C B ASP A 1 342 ? 26.689 -38.979 -66.204 0.60 44.39 ? 342 ASP A C 1 +ATOM 4301 O O A ASP A 1 342 ? 26.210 -40.088 -65.699 0.40 44.52 ? 342 ASP A O 1 +ATOM 4302 O O B ASP A 1 342 ? 26.289 -39.840 -65.429 0.60 43.30 ? 342 ASP A O 1 +ATOM 4303 C CB A ASP A 1 342 ? 24.789 -37.585 -65.416 0.40 43.58 ? 342 ASP A CB 1 +ATOM 4304 C CB B ASP A 1 342 ? 24.874 -37.352 -65.432 0.60 43.66 ? 342 ASP A CB 1 +ATOM 4305 C CG A ASP A 1 342 ? 25.459 -37.024 -64.166 0.40 48.18 ? 342 ASP A CG 1 +ATOM 4306 C CG B ASP A 1 342 ? 25.562 -36.860 -64.177 0.60 49.39 ? 342 ASP A CG 1 +ATOM 4307 O OD1 A ASP A 1 342 ? 26.672 -36.694 -64.193 0.40 43.25 ? 342 ASP A OD1 1 +ATOM 4308 O OD1 B ASP A 1 342 ? 26.776 -36.557 -64.220 0.60 40.53 ? 342 ASP A OD1 1 +ATOM 4309 O OD2 A ASP A 1 342 ? 24.733 -36.902 -63.149 0.40 42.92 ? 342 ASP A OD2 1 +ATOM 4310 O OD2 B ASP A 1 342 ? 24.868 -36.787 -63.135 0.60 42.51 ? 342 ASP A OD2 1 +ATOM 4311 N N A LEU A 1 343 ? 27.893 -39.078 -66.782 0.40 51.02 ? 343 LEU A N 1 +ATOM 4312 N N B LEU A 1 343 ? 27.866 -39.072 -66.837 0.60 51.23 ? 343 LEU A N 1 +ATOM 4313 C CA A LEU A 1 343 ? 28.711 -40.294 -66.771 0.40 46.10 ? 343 LEU A CA 1 +ATOM 4314 C CA B LEU A 1 343 ? 28.644 -40.311 -66.788 0.60 46.03 ? 343 LEU A CA 1 +ATOM 4315 C C A LEU A 1 343 ? 29.614 -40.411 -65.546 0.40 51.19 ? 343 LEU A C 1 +ATOM 4316 C C B LEU A 1 343 ? 29.532 -40.409 -65.556 0.60 51.30 ? 343 LEU A C 1 +ATOM 4317 O O A LEU A 1 343 ? 30.243 -41.460 -65.349 0.40 52.88 ? 343 LEU A O 1 +ATOM 4318 O O B LEU A 1 343 ? 30.108 -41.475 -65.298 0.60 53.18 ? 343 LEU A O 1 +ATOM 4319 C CB A LEU A 1 343 ? 29.557 -40.387 -68.044 0.40 50.06 ? 343 LEU A CB 1 +ATOM 4320 C CB B LEU A 1 343 ? 29.495 -40.454 -68.048 0.60 49.97 ? 343 LEU A CB 1 +ATOM 4321 C CG A LEU A 1 343 ? 28.787 -40.568 -69.359 0.40 49.73 ? 343 LEU A CG 1 +ATOM 4322 C CG B LEU A 1 343 ? 28.749 -40.645 -69.370 0.60 49.91 ? 343 LEU A CG 1 +ATOM 4323 C CD1 A LEU A 1 343 ? 29.734 -40.623 -70.566 0.40 46.91 ? 343 LEU A CD1 1 +ATOM 4324 C CD1 B LEU A 1 343 ? 29.736 -40.719 -70.536 0.60 46.95 ? 343 LEU A CD1 1 +ATOM 4325 C CD2 A LEU A 1 343 ? 27.914 -41.813 -69.314 0.40 44.56 ? 343 LEU A CD2 1 +ATOM 4326 C CD2 B LEU A 1 343 ? 27.876 -41.898 -69.334 0.60 44.32 ? 343 LEU A CD2 1 +ATOM 4327 N N A ALA A 1 344 ? 29.656 -39.387 -64.706 0.40 52.07 ? 344 ALA A N 1 +ATOM 4328 N N B ALA A 1 344 ? 29.642 -39.339 -64.782 0.60 52.21 ? 344 ALA A N 1 +ATOM 4329 C CA A ALA A 1 344 ? 30.296 -39.458 -63.405 0.40 49.59 ? 344 ALA A CA 1 +ATOM 4330 C CA B ALA A 1 344 ? 30.285 -39.412 -63.486 0.60 49.67 ? 344 ALA A CA 1 +ATOM 4331 C C A ALA A 1 344 ? 29.672 -38.364 -62.588 0.40 47.40 ? 344 ALA A C 1 +ATOM 4332 C C B ALA A 1 344 ? 29.658 -38.366 -62.592 0.60 47.33 ? 344 ALA A C 1 +ATOM 4333 O O A ALA A 1 344 ? 29.717 -38.374 -61.349 0.40 51.39 ? 344 ALA A O 1 +ATOM 4334 O O B ALA A 1 344 ? 29.745 -38.478 -61.374 0.60 51.46 ? 344 ALA A O 1 +ATOM 4335 C CB A ALA A 1 344 ? 31.816 -39.278 -63.514 0.40 49.32 ? 344 ALA A CB 1 +ATOM 4336 C CB B ALA A 1 344 ? 31.792 -39.205 -63.609 0.60 49.35 ? 344 ALA A CB 1 +ATOM 4337 O OXT A ALA A 1 344 ? 29.108 -37.441 -63.207 0.40 46.74 ? 344 ALA A OXT 1 +ATOM 4338 O OXT B ALA A 1 344 ? 29.039 -37.411 -63.087 0.60 46.99 ? 344 ALA A OXT 1 +ATOM 4339 N N . GLY B 2 1 ? 17.876 -43.007 -2.203 1.00 66.34 ? 2 GLY B N 1 +ATOM 4340 C CA . GLY B 2 1 ? 16.643 -42.232 -2.160 1.00 64.18 ? 2 GLY B CA 1 +ATOM 4341 C C . GLY B 2 1 ? 15.756 -42.580 -3.340 1.00 61.20 ? 2 GLY B C 1 +ATOM 4342 O O . GLY B 2 1 ? 16.125 -43.417 -4.150 1.00 54.84 ? 2 GLY B O 1 +ATOM 4343 N N . LEU B 2 2 ? 14.573 -41.981 -3.410 1.00 56.82 ? 3 LEU B N 1 +ATOM 4344 C CA . LEU B 2 2 ? 13.748 -42.140 -4.593 1.00 49.10 ? 3 LEU B CA 1 +ATOM 4345 C C . LEU B 2 2 ? 14.478 -41.554 -5.795 1.00 59.65 ? 3 LEU B C 1 +ATOM 4346 O O . LEU B 2 2 ? 15.003 -40.433 -5.712 1.00 49.02 ? 3 LEU B O 1 +ATOM 4347 C CB . LEU B 2 2 ? 12.397 -41.459 -4.441 1.00 50.05 ? 3 LEU B CB 1 +ATOM 4348 C CG . LEU B 2 2 ? 11.292 -42.095 -3.612 1.00 58.62 ? 3 LEU B CG 1 +ATOM 4349 C CD1 . LEU B 2 2 ? 10.139 -41.111 -3.501 1.00 60.05 ? 3 LEU B CD1 1 +ATOM 4350 C CD2 . LEU B 2 2 ? 10.807 -43.391 -4.218 1.00 57.51 ? 3 LEU B CD2 1 +ATOM 4351 N N . PRO B 2 3 ? 14.563 -42.283 -6.904 1.00 55.58 ? 4 PRO B N 1 +ATOM 4352 C CA . PRO B 2 3 ? 14.987 -41.672 -8.168 1.00 52.02 ? 4 PRO B CA 1 +ATOM 4353 C C . PRO B 2 3 ? 13.986 -40.616 -8.612 1.00 55.88 ? 4 PRO B C 1 +ATOM 4354 O O . PRO B 2 3 ? 12.825 -40.608 -8.191 1.00 45.16 ? 4 PRO B O 1 +ATOM 4355 C CB . PRO B 2 3 ? 15.024 -42.852 -9.152 1.00 50.44 ? 4 PRO B CB 1 +ATOM 4356 C CG . PRO B 2 3 ? 14.793 -44.104 -8.327 1.00 50.55 ? 4 PRO B CG 1 +ATOM 4357 C CD . PRO B 2 3 ? 14.177 -43.697 -7.031 1.00 51.84 ? 4 PRO B CD 1 +ATOM 4358 N N . TRP B 2 4 ? 14.451 -39.717 -9.496 1.00 47.42 ? 5 TRP B N 1 +ATOM 4359 C CA . TRP B 2 4 ? 13.630 -38.564 -9.857 1.00 48.64 ? 5 TRP B CA 1 +ATOM 4360 C C . TRP B 2 4 ? 12.320 -38.990 -10.529 1.00 49.92 ? 5 TRP B C 1 +ATOM 4361 O O . TRP B 2 4 ? 11.291 -38.312 -10.373 1.00 46.82 ? 5 TRP B O 1 +ATOM 4362 C CB . TRP B 2 4 ? 14.423 -37.590 -10.757 1.00 45.44 ? 5 TRP B CB 1 +ATOM 4363 C CG . TRP B 2 4 ? 14.633 -38.130 -12.163 1.00 47.61 ? 5 TRP B CG 1 +ATOM 4364 C CD1 . TRP B 2 4 ? 15.712 -38.837 -12.621 1.00 50.90 ? 5 TRP B CD1 1 +ATOM 4365 C CD2 . TRP B 2 4 ? 13.714 -38.052 -13.260 1.00 46.97 ? 5 TRP B CD2 1 +ATOM 4366 N NE1 . TRP B 2 4 ? 15.530 -39.186 -13.933 1.00 47.27 ? 5 TRP B NE1 1 +ATOM 4367 C CE2 . TRP B 2 4 ? 14.311 -38.718 -14.352 1.00 50.72 ? 5 TRP B CE2 1 +ATOM 4368 C CE3 . TRP B 2 4 ? 12.448 -37.476 -13.428 1.00 47.75 ? 5 TRP B CE3 1 +ATOM 4369 C CZ2 . TRP B 2 4 ? 13.686 -38.822 -15.606 1.00 52.10 ? 5 TRP B CZ2 1 +ATOM 4370 C CZ3 . TRP B 2 4 ? 11.827 -37.582 -14.668 1.00 50.87 ? 5 TRP B CZ3 1 +ATOM 4371 C CH2 . TRP B 2 4 ? 12.451 -38.246 -15.744 1.00 50.58 ? 5 TRP B CH2 1 +ATOM 4372 N N A TYR B 2 5 ? 12.332 -40.109 -11.252 0.40 44.88 ? 6 TYR B N 1 +ATOM 4373 N N B TYR B 2 5 ? 12.324 -40.103 -11.269 0.60 44.90 ? 6 TYR B N 1 +ATOM 4374 C CA A TYR B 2 5 ? 11.141 -40.514 -11.993 0.40 46.40 ? 6 TYR B CA 1 +ATOM 4375 C CA B TYR B 2 5 ? 11.128 -40.512 -12.001 0.60 46.42 ? 6 TYR B CA 1 +ATOM 4376 C C A TYR B 2 5 ? 10.100 -41.219 -11.122 0.40 49.32 ? 6 TYR B C 1 +ATOM 4377 C C B TYR B 2 5 ? 10.097 -41.221 -11.121 0.60 49.41 ? 6 TYR B C 1 +ATOM 4378 O O A TYR B 2 5 ? 9.068 -41.658 -11.651 0.40 46.09 ? 6 TYR B O 1 +ATOM 4379 O O B TYR B 2 5 ? 9.067 -41.672 -11.640 0.60 46.09 ? 6 TYR B O 1 +ATOM 4380 C CB A TYR B 2 5 ? 11.532 -41.395 -13.185 0.40 42.87 ? 6 TYR B CB 1 +ATOM 4381 C CB B TYR B 2 5 ? 11.513 -41.394 -13.205 0.60 42.76 ? 6 TYR B CB 1 +ATOM 4382 C CG A TYR B 2 5 ? 12.514 -42.496 -12.837 0.40 48.43 ? 6 TYR B CG 1 +ATOM 4383 C CG B TYR B 2 5 ? 12.501 -42.479 -12.868 0.60 48.43 ? 6 TYR B CG 1 +ATOM 4384 C CD1 A TYR B 2 5 ? 12.072 -43.769 -12.450 0.40 46.05 ? 6 TYR B CD1 1 +ATOM 4385 C CD1 B TYR B 2 5 ? 12.064 -43.746 -12.474 0.60 45.98 ? 6 TYR B CD1 1 +ATOM 4386 C CD2 A TYR B 2 5 ? 13.886 -42.264 -12.896 0.40 46.06 ? 6 TYR B CD2 1 +ATOM 4387 C CD2 B TYR B 2 5 ? 13.871 -42.242 -12.923 0.60 45.91 ? 6 TYR B CD2 1 +ATOM 4388 C CE1 A TYR B 2 5 ? 12.982 -44.771 -12.107 0.40 45.66 ? 6 TYR B CE1 1 +ATOM 4389 C CE1 B TYR B 2 5 ? 12.960 -44.739 -12.131 0.60 45.55 ? 6 TYR B CE1 1 +ATOM 4390 C CE2 A TYR B 2 5 ? 14.799 -43.255 -12.576 0.40 50.60 ? 6 TYR B CE2 1 +ATOM 4391 C CE2 B TYR B 2 5 ? 14.784 -43.240 -12.593 0.60 50.62 ? 6 TYR B CE2 1 +ATOM 4392 C CZ A TYR B 2 5 ? 14.347 -44.504 -12.176 0.40 54.75 ? 6 TYR B CZ 1 +ATOM 4393 C CZ B TYR B 2 5 ? 14.318 -44.487 -12.193 0.60 54.86 ? 6 TYR B CZ 1 +ATOM 4394 O OH A TYR B 2 5 ? 15.268 -45.466 -11.840 0.40 50.39 ? 6 TYR B OH 1 +ATOM 4395 O OH B TYR B 2 5 ? 15.208 -45.479 -11.845 0.60 50.41 ? 6 TYR B OH 1 +ATOM 4396 N N . ARG B 2 6 ? 10.325 -41.306 -9.806 1.00 45.45 ? 7 ARG B N 1 +ATOM 4397 C CA . ARG B 2 6 ? 9.375 -41.942 -8.889 1.00 51.17 ? 7 ARG B CA 1 +ATOM 4398 C C . ARG B 2 6 ? 8.878 -41.032 -7.777 1.00 52.40 ? 7 ARG B C 1 +ATOM 4399 O O . ARG B 2 6 ? 8.183 -41.533 -6.880 1.00 50.94 ? 7 ARG B O 1 +ATOM 4400 C CB . ARG B 2 6 ? 9.981 -43.188 -8.231 1.00 44.30 ? 7 ARG B CB 1 +ATOM 4401 C CG . ARG B 2 6 ? 10.392 -44.267 -9.217 1.00 49.32 ? 7 ARG B CG 1 +ATOM 4402 C CD . ARG B 2 6 ? 10.811 -45.544 -8.499 1.00 52.43 ? 7 ARG B CD 1 +ATOM 4403 N NE . ARG B 2 6 ? 11.258 -46.531 -9.468 1.00 49.99 ? 7 ARG B NE 1 +ATOM 4404 C CZ . ARG B 2 6 ? 12.070 -47.546 -9.197 1.00 59.38 ? 7 ARG B CZ 1 +ATOM 4405 N NH1 . ARG B 2 6 ? 12.495 -47.781 -7.963 1.00 54.28 ? 7 ARG B NH1 1 +ATOM 4406 N NH2 . ARG B 2 6 ? 12.493 -48.322 -10.195 1.00 45.07 ? 7 ARG B NH2 1 +ATOM 4407 N N . VAL B 2 7 ? 9.211 -39.726 -7.788 1.00 44.18 ? 8 VAL B N 1 +ATOM 4408 C CA . VAL B 2 7 ? 8.942 -38.900 -6.609 1.00 43.68 ? 8 VAL B CA 1 +ATOM 4409 C C . VAL B 2 7 ? 7.459 -38.903 -6.262 1.00 49.48 ? 8 VAL B C 1 +ATOM 4410 O O . VAL B 2 7 ? 7.096 -38.782 -5.092 1.00 51.94 ? 8 VAL B O 1 +ATOM 4411 C CB . VAL B 2 7 ? 9.455 -37.451 -6.789 1.00 43.43 ? 8 VAL B CB 1 +ATOM 4412 C CG1 . VAL B 2 7 ? 10.972 -37.412 -6.766 1.00 49.79 ? 8 VAL B CG1 1 +ATOM 4413 C CG2 . VAL B 2 7 ? 8.887 -36.811 -8.061 1.00 42.96 ? 8 VAL B CG2 1 +ATOM 4414 N N . HIS B 2 8 ? 6.581 -39.080 -7.246 1.00 41.55 ? 9 HIS B N 1 +ATOM 4415 C CA . HIS B 2 8 ? 5.159 -38.964 -6.950 1.00 52.39 ? 9 HIS B CA 1 +ATOM 4416 C C . HIS B 2 8 ? 4.552 -40.255 -6.388 1.00 59.69 ? 9 HIS B C 1 +ATOM 4417 O O . HIS B 2 8 ? 3.376 -40.249 -6.010 1.00 51.75 ? 9 HIS B O 1 +ATOM 4418 C CB . HIS B 2 8 ? 4.406 -38.503 -8.215 1.00 48.20 ? 9 HIS B CB 1 +ATOM 4419 C CG . HIS B 2 8 ? 4.673 -37.067 -8.583 1.00 51.49 ? 9 HIS B CG 1 +ATOM 4420 N ND1 . HIS B 2 8 ? 4.386 -36.551 -9.825 1.00 42.77 ? 9 HIS B ND1 1 +ATOM 4421 C CD2 . HIS B 2 8 ? 5.178 -36.035 -7.855 1.00 52.47 ? 9 HIS B CD2 1 +ATOM 4422 C CE1 . HIS B 2 8 ? 4.702 -35.265 -9.850 1.00 49.36 ? 9 HIS B CE1 1 +ATOM 4423 N NE2 . HIS B 2 8 ? 5.189 -34.925 -8.669 1.00 50.55 ? 9 HIS B NE2 1 +ATOM 4424 N N . THR B 2 9 ? 5.314 -41.353 -6.302 1.00 45.80 ? 10 THR B N 1 +ATOM 4425 C CA . THR B 2 9 ? 4.782 -42.573 -5.698 1.00 55.81 ? 10 THR B CA 1 +ATOM 4426 C C . THR B 2 9 ? 4.498 -42.425 -4.209 1.00 59.50 ? 10 THR B C 1 +ATOM 4427 O O . THR B 2 9 ? 3.807 -43.287 -3.655 1.00 51.19 ? 10 THR B O 1 +ATOM 4428 C CB . THR B 2 9 ? 5.731 -43.761 -5.891 1.00 53.88 ? 10 THR B CB 1 +ATOM 4429 O OG1 . THR B 2 9 ? 7.018 -43.433 -5.361 1.00 55.76 ? 10 THR B OG1 1 +ATOM 4430 C CG2 . THR B 2 9 ? 5.859 -44.133 -7.362 1.00 46.01 ? 10 THR B CG2 1 +ATOM 4431 N N . VAL B 2 10 ? 4.980 -41.358 -3.555 1.00 52.32 ? 11 VAL B N 1 +ATOM 4432 C CA . VAL B 2 10 ? 4.708 -41.181 -2.135 1.00 48.85 ? 11 VAL B CA 1 +ATOM 4433 C C . VAL B 2 10 ? 3.225 -40.986 -1.844 1.00 54.10 ? 11 VAL B C 1 +ATOM 4434 O O . VAL B 2 10 ? 2.837 -41.007 -0.686 1.00 53.49 ? 11 VAL B O 1 +ATOM 4435 C CB . VAL B 2 10 ? 5.492 -39.986 -1.525 1.00 60.68 ? 11 VAL B CB 1 +ATOM 4436 C CG1 . VAL B 2 10 ? 7.009 -40.196 -1.606 1.00 49.04 ? 11 VAL B CG1 1 +ATOM 4437 C CG2 . VAL B 2 10 ? 5.038 -38.639 -2.150 1.00 47.67 ? 11 VAL B CG2 1 +ATOM 4438 N N . LEU B 2 11 ? 2.389 -40.774 -2.861 1.00 53.70 ? 12 LEU B N 1 +ATOM 4439 C CA . LEU B 2 11 ? 0.959 -40.613 -2.628 1.00 53.89 ? 12 LEU B CA 1 +ATOM 4440 C C . LEU B 2 11 ? 0.160 -41.912 -2.743 1.00 59.40 ? 12 LEU B C 1 +ATOM 4441 O O . LEU B 2 11 ? -1.028 -41.900 -2.419 1.00 51.84 ? 12 LEU B O 1 +ATOM 4442 C CB . LEU B 2 11 ? 0.362 -39.604 -3.615 1.00 55.30 ? 12 LEU B CB 1 +ATOM 4443 C CG . LEU B 2 11 ? 1.017 -38.225 -3.779 1.00 56.45 ? 12 LEU B CG 1 +ATOM 4444 C CD1 . LEU B 2 11 ? 0.623 -37.628 -5.129 1.00 53.85 ? 12 LEU B CD1 1 +ATOM 4445 C CD2 . LEU B 2 11 ? 0.621 -37.297 -2.673 1.00 49.69 ? 12 LEU B CD2 1 +ATOM 4446 N N . ILE B 2 12 ? 0.759 -43.009 -3.229 1.00 45.41 ? 13 ILE B N 1 +ATOM 4447 C CA . ILE B 2 12 ? 0.008 -44.254 -3.431 1.00 58.65 ? 13 ILE B CA 1 +ATOM 4448 C C . ILE B 2 12 ? -0.773 -44.667 -2.174 1.00 62.98 ? 13 ILE B C 1 +ATOM 4449 O O . ILE B 2 12 ? -1.938 -45.084 -2.260 1.00 57.64 ? 13 ILE B O 1 +ATOM 4450 C CB . ILE B 2 12 ? 0.950 -45.374 -3.899 1.00 54.74 ? 13 ILE B CB 1 +ATOM 4451 C CG1 . ILE B 2 12 ? 1.428 -45.098 -5.326 1.00 59.39 ? 13 ILE B CG1 1 +ATOM 4452 C CG2 . ILE B 2 12 ? 0.236 -46.700 -3.834 1.00 61.20 ? 13 ILE B CG2 1 +ATOM 4453 C CD1 . ILE B 2 12 ? 2.392 -46.129 -5.863 1.00 57.89 ? 13 ILE B CD1 1 +ATOM 4454 N N . ASN B 2 13 ? -0.167 -44.530 -0.989 1.00 48.04 ? 14 ASN B N 1 +ATOM 4455 C CA . ASN B 2 13 ? -0.806 -44.937 0.258 1.00 51.47 ? 14 ASN B CA 1 +ATOM 4456 C C . ASN B 2 13 ? -1.336 -43.773 1.081 1.00 59.34 ? 14 ASN B C 1 +ATOM 4457 O O . ASN B 2 13 ? -1.559 -43.934 2.280 1.00 52.89 ? 14 ASN B O 1 +ATOM 4458 C CB . ASN B 2 13 ? 0.158 -45.740 1.130 1.00 70.91 ? 14 ASN B CB 1 +ATOM 4459 C CG . ASN B 2 13 ? 0.544 -47.063 0.511 1.00 79.02 ? 14 ASN B CG 1 +ATOM 4460 O OD1 . ASN B 2 13 ? -0.285 -47.754 -0.098 1.00 78.16 ? 14 ASN B OD1 1 +ATOM 4461 N ND2 . ASN B 2 13 ? 1.818 -47.425 0.655 1.00 98.20 ? 14 ASN B ND2 1 +ATOM 4462 N N . ASP B 2 14 ? -1.542 -42.605 0.482 1.00 52.17 ? 15 ASP B N 1 +ATOM 4463 C CA . ASP B 2 14 ? -1.906 -41.403 1.232 1.00 49.84 ? 15 ASP B CA 1 +ATOM 4464 C C . ASP B 2 14 ? -3.104 -40.750 0.550 1.00 53.32 ? 15 ASP B C 1 +ATOM 4465 O O . ASP B 2 14 ? -2.947 -39.778 -0.200 1.00 55.45 ? 15 ASP B O 1 +ATOM 4466 C CB . ASP B 2 14 ? -0.697 -40.470 1.332 1.00 49.93 ? 15 ASP B CB 1 +ATOM 4467 C CG . ASP B 2 14 ? -0.920 -39.303 2.251 1.00 47.53 ? 15 ASP B CG 1 +ATOM 4468 O OD1 . ASP B 2 14 ? -2.077 -38.943 2.539 1.00 56.12 ? 15 ASP B OD1 1 +ATOM 4469 O OD2 . ASP B 2 14 ? 0.090 -38.721 2.681 1.00 53.75 ? 15 ASP B OD2 1 +ATOM 4470 N N . PRO B 2 15 ? -4.324 -41.255 0.797 1.00 53.63 ? 16 PRO B N 1 +ATOM 4471 C CA . PRO B 2 15 ? -5.486 -40.756 0.034 1.00 51.55 ? 16 PRO B CA 1 +ATOM 4472 C C . PRO B 2 15 ? -5.732 -39.269 0.170 1.00 49.40 ? 16 PRO B C 1 +ATOM 4473 O O . PRO B 2 15 ? -6.196 -38.637 -0.785 1.00 50.55 ? 16 PRO B O 1 +ATOM 4474 C CB . PRO B 2 15 ? -6.652 -41.571 0.610 1.00 54.02 ? 16 PRO B CB 1 +ATOM 4475 C CG . PRO B 2 15 ? -6.014 -42.842 1.045 1.00 53.84 ? 16 PRO B CG 1 +ATOM 4476 C CD . PRO B 2 15 ? -4.668 -42.450 1.588 1.00 48.25 ? 16 PRO B CD 1 +ATOM 4477 N N . GLY B 2 16 ? -5.470 -38.697 1.345 1.00 52.75 ? 17 GLY B N 1 +ATOM 4478 C CA . GLY B 2 16 ? -5.696 -37.274 1.530 1.00 51.15 ? 17 GLY B CA 1 +ATOM 4479 C C . GLY B 2 16 ? -4.769 -36.417 0.689 1.00 47.88 ? 17 GLY B C 1 +ATOM 4480 O O . GLY B 2 16 ? -5.185 -35.403 0.132 1.00 49.46 ? 17 GLY B O 1 +ATOM 4481 N N . ARG B 2 17 ? -3.502 -36.806 0.595 1.00 53.10 ? 18 ARG B N 1 +ATOM 4482 C CA . ARG B 2 17 ? -2.560 -36.050 -0.216 1.00 51.60 ? 18 ARG B CA 1 +ATOM 4483 C C . ARG B 2 17 ? -2.715 -36.378 -1.689 1.00 53.72 ? 18 ARG B C 1 +ATOM 4484 O O . ARG B 2 17 ? -2.448 -35.522 -2.547 1.00 53.67 ? 18 ARG B O 1 +ATOM 4485 C CB . ARG B 2 17 ? -1.139 -36.302 0.269 1.00 46.55 ? 18 ARG B CB 1 +ATOM 4486 C CG . ARG B 2 17 ? -0.931 -35.639 1.648 1.00 42.42 ? 18 ARG B CG 1 +ATOM 4487 C CD . ARG B 2 17 ? 0.507 -35.316 1.923 1.00 46.12 ? 18 ARG B CD 1 +ATOM 4488 N NE . ARG B 2 17 ? 0.618 -34.392 3.043 1.00 51.20 ? 18 ARG B NE 1 +ATOM 4489 C CZ . ARG B 2 17 ? 1.752 -34.048 3.641 1.00 53.29 ? 18 ARG B CZ 1 +ATOM 4490 N NH1 . ARG B 2 17 ? 2.917 -34.578 3.290 1.00 48.25 ? 18 ARG B NH1 1 +ATOM 4491 N NH2 . ARG B 2 17 ? 1.713 -33.155 4.618 1.00 50.25 ? 18 ARG B NH2 1 +ATOM 4492 N N . LEU B 2 18 ? -3.177 -37.587 -1.992 1.00 52.07 ? 19 LEU B N 1 +ATOM 4493 C CA . LEU B 2 18 ? -3.621 -37.875 -3.341 1.00 47.59 ? 19 LEU B CA 1 +ATOM 4494 C C . LEU B 2 18 ? -4.749 -36.937 -3.746 1.00 53.57 ? 19 LEU B C 1 +ATOM 4495 O O . LEU B 2 18 ? -4.732 -36.372 -4.847 1.00 48.01 ? 19 LEU B O 1 +ATOM 4496 C CB . LEU B 2 18 ? -4.061 -39.329 -3.461 1.00 49.41 ? 19 LEU B CB 1 +ATOM 4497 C CG . LEU B 2 18 ? -4.433 -39.658 -4.912 1.00 56.32 ? 19 LEU B CG 1 +ATOM 4498 C CD1 . LEU B 2 18 ? -3.208 -39.688 -5.806 1.00 55.32 ? 19 LEU B CD1 1 +ATOM 4499 C CD2 . LEU B 2 18 ? -5.180 -40.968 -5.001 1.00 52.11 ? 19 LEU B CD2 1 +ATOM 4500 N N . ILE B 2 19 ? -5.731 -36.735 -2.862 1.00 45.48 ? 20 ILE B N 1 +ATOM 4501 C CA . ILE B 2 19 ? -6.788 -35.789 -3.195 1.00 48.73 ? 20 ILE B CA 1 +ATOM 4502 C C . ILE B 2 19 ? -6.200 -34.391 -3.358 1.00 56.74 ? 20 ILE B C 1 +ATOM 4503 O O . ILE B 2 19 ? -6.612 -33.629 -4.236 1.00 43.84 ? 20 ILE B O 1 +ATOM 4504 C CB . ILE B 2 19 ? -7.900 -35.830 -2.133 1.00 58.27 ? 20 ILE B CB 1 +ATOM 4505 C CG1 . ILE B 2 19 ? -8.723 -37.109 -2.273 1.00 57.17 ? 20 ILE B CG1 1 +ATOM 4506 C CG2 . ILE B 2 19 ? -8.816 -34.584 -2.210 1.00 55.98 ? 20 ILE B CG2 1 +ATOM 4507 C CD1 . ILE B 2 19 ? -9.412 -37.501 -0.973 1.00 54.17 ? 20 ILE B CD1 1 +ATOM 4508 N N . ALA B 2 20 ? -5.216 -34.034 -2.518 1.00 44.83 ? 21 ALA B N 1 +ATOM 4509 C CA . ALA B 2 20 ? -4.628 -32.702 -2.622 1.00 46.25 ? 21 ALA B CA 1 +ATOM 4510 C C . ALA B 2 20 ? -3.940 -32.509 -3.974 1.00 46.57 ? 21 ALA B C 1 +ATOM 4511 O O . ALA B 2 20 ? -4.104 -31.467 -4.613 1.00 46.37 ? 21 ALA B O 1 +ATOM 4512 C CB . ALA B 2 20 ? -3.648 -32.460 -1.471 1.00 42.89 ? 21 ALA B CB 1 +ATOM 4513 N N . ALA B 2 21 ? -3.173 -33.511 -4.424 1.00 43.83 ? 22 ALA B N 1 +ATOM 4514 C CA . ALA B 2 21 ? -2.488 -33.424 -5.711 1.00 47.84 ? 22 ALA B CA 1 +ATOM 4515 C C . ALA B 2 21 ? -3.487 -33.366 -6.854 1.00 52.31 ? 22 ALA B C 1 +ATOM 4516 O O . ALA B 2 21 ? -3.305 -32.610 -7.815 1.00 50.45 ? 22 ALA B O 1 +ATOM 4517 C CB . ALA B 2 21 ? -1.552 -34.619 -5.904 1.00 39.29 ? 22 ALA B CB 1 +ATOM 4518 N N . HIS B 2 22 ? -4.540 -34.175 -6.771 1.00 47.23 ? 23 HIS B N 1 +ATOM 4519 C CA . HIS B 2 22 ? -5.587 -34.130 -7.777 1.00 50.05 ? 23 HIS B CA 1 +ATOM 4520 C C . HIS B 2 22 ? -6.335 -32.786 -7.744 1.00 50.05 ? 23 HIS B C 1 +ATOM 4521 O O . HIS B 2 22 ? -6.749 -32.275 -8.796 1.00 47.20 ? 23 HIS B O 1 +ATOM 4522 C CB . HIS B 2 22 ? -6.501 -35.364 -7.585 1.00 47.71 ? 23 HIS B CB 1 +ATOM 4523 C CG . HIS B 2 22 ? -5.887 -36.658 -8.080 1.00 42.94 ? 23 HIS B CG 1 +ATOM 4524 N ND1 . HIS B 2 22 ? -6.506 -37.883 -7.941 1.00 41.39 ? 23 HIS B ND1 1 +ATOM 4525 C CD2 . HIS B 2 22 ? -4.732 -36.904 -8.761 1.00 50.30 ? 23 HIS B CD2 1 +ATOM 4526 C CE1 . HIS B 2 22 ? -5.755 -38.826 -8.493 1.00 50.66 ? 23 HIS B CE1 1 +ATOM 4527 N NE2 . HIS B 2 22 ? -4.676 -38.265 -9.024 1.00 53.91 ? 23 HIS B NE2 1 +ATOM 4528 N N . LEU B 2 23 ? -6.467 -32.169 -6.561 1.00 40.24 ? 24 LEU B N 1 +ATOM 4529 C CA . LEU B 2 23 ? -7.056 -30.835 -6.493 1.00 46.99 ? 24 LEU B CA 1 +ATOM 4530 C C . LEU B 2 23 ? -6.145 -29.807 -7.151 1.00 45.09 ? 24 LEU B C 1 +ATOM 4531 O O . LEU B 2 23 ? -6.620 -28.903 -7.841 1.00 49.02 ? 24 LEU B O 1 +ATOM 4532 C CB . LEU B 2 23 ? -7.346 -30.444 -5.035 1.00 41.21 ? 24 LEU B CB 1 +ATOM 4533 C CG . LEU B 2 23 ? -8.667 -30.985 -4.455 1.00 61.71 ? 24 LEU B CG 1 +ATOM 4534 C CD1 . LEU B 2 23 ? -8.709 -30.985 -2.903 1.00 44.66 ? 24 LEU B CD1 1 +ATOM 4535 C CD2 . LEU B 2 23 ? -9.868 -30.229 -5.028 1.00 49.87 ? 24 LEU B CD2 1 +ATOM 4536 N N . MET B 2 24 ? -4.834 -29.934 -6.952 1.00 45.20 ? 25 MET B N 1 +ATOM 4537 C CA . MET B 2 24 ? -3.906 -28.978 -7.533 1.00 46.21 ? 25 MET B CA 1 +ATOM 4538 C C . MET B 2 24 ? -3.875 -29.105 -9.052 1.00 47.43 ? 25 MET B C 1 +ATOM 4539 O O . MET B 2 24 ? -3.824 -28.096 -9.763 1.00 48.35 ? 25 MET B O 1 +ATOM 4540 C CB . MET B 2 24 ? -2.510 -29.172 -6.935 1.00 45.52 ? 25 MET B CB 1 +ATOM 4541 C CG . MET B 2 24 ? -1.470 -28.134 -7.436 1.00 46.97 ? 25 MET B CG 1 +ATOM 4542 S SD . MET B 2 24 ? -1.923 -26.434 -7.005 1.00 53.85 ? 25 MET B SD 1 +ATOM 4543 C CE . MET B 2 24 ? -1.977 -26.507 -5.224 1.00 46.99 ? 25 MET B CE 1 +ATOM 4544 N N . HIS B 2 25 ? -3.938 -30.338 -9.567 1.00 43.00 ? 26 HIS B N 1 +ATOM 4545 C CA . HIS B 2 25 ? -3.981 -30.523 -11.010 1.00 50.44 ? 26 HIS B CA 1 +ATOM 4546 C C . HIS B 2 25 ? -5.234 -29.887 -11.593 1.00 48.51 ? 26 HIS B C 1 +ATOM 4547 O O . HIS B 2 25 ? -5.179 -29.213 -12.629 1.00 49.13 ? 26 HIS B O 1 +ATOM 4548 C CB . HIS B 2 25 ? -3.918 -32.009 -11.370 1.00 41.10 ? 26 HIS B CB 1 +ATOM 4549 C CG . HIS B 2 25 ? -3.837 -32.263 -12.846 1.00 45.76 ? 26 HIS B CG 1 +ATOM 4550 N ND1 . HIS B 2 25 ? -4.952 -32.479 -13.622 1.00 39.89 ? 26 HIS B ND1 1 +ATOM 4551 C CD2 . HIS B 2 25 ? -2.772 -32.343 -13.684 1.00 42.09 ? 26 HIS B CD2 1 +ATOM 4552 C CE1 . HIS B 2 25 ? -4.581 -32.655 -14.881 1.00 50.95 ? 26 HIS B CE1 1 +ATOM 4553 N NE2 . HIS B 2 25 ? -3.263 -32.567 -14.947 1.00 44.16 ? 26 HIS B NE2 1 +ATOM 4554 N N . THR B 2 26 ? -6.372 -30.088 -10.933 1.00 48.32 ? 27 THR B N 1 +ATOM 4555 C CA . THR B 2 26 ? -7.618 -29.498 -11.405 1.00 44.56 ? 27 THR B CA 1 +ATOM 4556 C C . THR B 2 26 ? -7.532 -27.978 -11.399 1.00 44.04 ? 27 THR B C 1 +ATOM 4557 O O . THR B 2 26 ? -7.973 -27.325 -12.351 1.00 46.12 ? 27 THR B O 1 +ATOM 4558 C CB . THR B 2 26 ? -8.786 -29.997 -10.542 1.00 47.31 ? 27 THR B CB 1 +ATOM 4559 O OG1 . THR B 2 26 ? -8.741 -31.440 -10.461 1.00 47.53 ? 27 THR B OG1 1 +ATOM 4560 C CG2 . THR B 2 26 ? -10.107 -29.572 -11.146 1.00 46.50 ? 27 THR B CG2 1 +ATOM 4561 N N . ALA B 2 27 ? -6.915 -27.396 -10.362 1.00 45.09 ? 28 ALA B N 1 +ATOM 4562 C CA . ALA B 2 27 ? -6.766 -25.941 -10.316 1.00 42.06 ? 28 ALA B CA 1 +ATOM 4563 C C . ALA B 2 27 ? -5.906 -25.423 -11.467 1.00 40.41 ? 28 ALA B C 1 +ATOM 4564 O O . ALA B 2 27 ? -6.236 -24.404 -12.077 1.00 50.45 ? 28 ALA B O 1 +ATOM 4565 C CB . ALA B 2 27 ? -6.174 -25.510 -8.975 1.00 41.16 ? 28 ALA B CB 1 +ATOM 4566 N N . LEU B 2 28 ? -4.798 -26.116 -11.776 1.00 48.70 ? 29 LEU B N 1 +ATOM 4567 C CA . LEU B 2 28 ? -3.940 -25.730 -12.898 1.00 50.07 ? 29 LEU B CA 1 +ATOM 4568 C C . LEU B 2 28 ? -4.684 -25.785 -14.229 1.00 48.64 ? 29 LEU B C 1 +ATOM 4569 O O . LEU B 2 28 ? -4.501 -24.913 -15.083 1.00 47.51 ? 29 LEU B O 1 +ATOM 4570 C CB . LEU B 2 28 ? -2.704 -26.635 -12.947 1.00 47.34 ? 29 LEU B CB 1 +ATOM 4571 C CG . LEU B 2 28 ? -1.715 -26.430 -11.794 1.00 51.63 ? 29 LEU B CG 1 +ATOM 4572 C CD1 . LEU B 2 28 ? -0.705 -27.564 -11.731 1.00 54.57 ? 29 LEU B CD1 1 +ATOM 4573 C CD2 . LEU B 2 28 ? -0.986 -25.119 -11.965 1.00 52.32 ? 29 LEU B CD2 1 +ATOM 4574 N N . VAL B 2 29 ? -5.491 -26.831 -14.444 1.00 47.39 ? 30 VAL B N 1 +ATOM 4575 C CA . VAL B 2 29 ? -6.183 -26.984 -15.719 1.00 41.34 ? 30 VAL B CA 1 +ATOM 4576 C C . VAL B 2 29 ? -7.273 -25.931 -15.855 1.00 46.36 ? 30 VAL B C 1 +ATOM 4577 O O . VAL B 2 29 ? -7.479 -25.367 -16.932 1.00 48.55 ? 30 VAL B O 1 +ATOM 4578 C CB . VAL B 2 29 ? -6.753 -28.409 -15.857 1.00 48.07 ? 30 VAL B CB 1 +ATOM 4579 C CG1 . VAL B 2 29 ? -7.651 -28.517 -17.097 1.00 41.98 ? 30 VAL B CG1 1 +ATOM 4580 C CG2 . VAL B 2 29 ? -5.631 -29.456 -15.892 1.00 43.00 ? 30 VAL B CG2 1 +ATOM 4581 N N . ALA B 2 30 ? -7.993 -25.654 -14.770 1.00 46.79 ? 31 ALA B N 1 +ATOM 4582 C CA . ALA B 2 30 ? -9.012 -24.607 -14.809 1.00 48.17 ? 31 ALA B CA 1 +ATOM 4583 C C . ALA B 2 30 ? -8.384 -23.237 -15.015 1.00 46.51 ? 31 ALA B C 1 +ATOM 4584 O O . ALA B 2 30 ? -8.963 -22.368 -15.678 1.00 47.83 ? 31 ALA B O 1 +ATOM 4585 C CB . ALA B 2 30 ? -9.825 -24.623 -13.509 1.00 42.48 ? 31 ALA B CB 1 +ATOM 4586 N N . GLY B 2 31 ? -7.228 -23.004 -14.389 1.00 49.54 ? 32 GLY B N 1 +ATOM 4587 C CA . GLY B 2 31 ? -6.563 -21.729 -14.558 1.00 48.88 ? 32 GLY B CA 1 +ATOM 4588 C C . GLY B 2 31 ? -6.040 -21.565 -15.969 1.00 51.65 ? 32 GLY B C 1 +ATOM 4589 O O . GLY B 2 31 ? -6.072 -20.462 -16.526 1.00 50.97 ? 32 GLY B O 1 +ATOM 4590 N N . TRP B 2 32 ? -5.554 -22.660 -16.568 1.00 44.49 ? 33 TRP B N 1 +ATOM 4591 C CA . TRP B 2 32 ? -5.148 -22.597 -17.966 1.00 44.24 ? 33 TRP B CA 1 +ATOM 4592 C C . TRP B 2 32 ? -6.316 -22.196 -18.853 1.00 48.97 ? 33 TRP B C 1 +ATOM 4593 O O . TRP B 2 32 ? -6.155 -21.371 -19.761 1.00 50.03 ? 33 TRP B O 1 +ATOM 4594 C CB . TRP B 2 32 ? -4.569 -23.936 -18.451 1.00 37.40 ? 33 TRP B CB 1 +ATOM 4595 C CG . TRP B 2 32 ? -4.291 -23.866 -19.933 1.00 46.19 ? 33 TRP B CG 1 +ATOM 4596 C CD1 . TRP B 2 32 ? -3.164 -23.378 -20.523 1.00 44.43 ? 33 TRP B CD1 1 +ATOM 4597 C CD2 . TRP B 2 32 ? -5.186 -24.220 -21.014 1.00 48.55 ? 33 TRP B CD2 1 +ATOM 4598 N NE1 . TRP B 2 32 ? -3.288 -23.428 -21.895 1.00 46.11 ? 33 TRP B NE1 1 +ATOM 4599 C CE2 . TRP B 2 32 ? -4.513 -23.945 -22.222 1.00 43.31 ? 33 TRP B CE2 1 +ATOM 4600 C CE3 . TRP B 2 32 ? -6.479 -24.758 -21.072 1.00 50.50 ? 33 TRP B CE3 1 +ATOM 4601 C CZ2 . TRP B 2 32 ? -5.091 -24.174 -23.480 1.00 45.26 ? 33 TRP B CZ2 1 +ATOM 4602 C CZ3 . TRP B 2 32 ? -7.052 -24.997 -22.311 1.00 46.63 ? 33 TRP B CZ3 1 +ATOM 4603 C CH2 . TRP B 2 32 ? -6.360 -24.691 -23.505 1.00 48.28 ? 33 TRP B CH2 1 +ATOM 4604 N N . ALA B 2 33 ? -7.498 -22.777 -18.627 1.00 44.32 ? 34 ALA B N 1 +ATOM 4605 C CA . ALA B 2 33 ? -8.626 -22.464 -19.508 1.00 52.66 ? 34 ALA B CA 1 +ATOM 4606 C C . ALA B 2 33 ? -9.028 -20.998 -19.372 1.00 45.76 ? 34 ALA B C 1 +ATOM 4607 O O . ALA B 2 33 ? -9.335 -20.340 -20.369 1.00 55.65 ? 34 ALA B O 1 +ATOM 4608 C CB . ALA B 2 33 ? -9.815 -23.390 -19.225 1.00 44.06 ? 34 ALA B CB 1 +ATOM 4609 N N . GLY B 2 34 ? -9.000 -20.464 -18.149 1.00 48.89 ? 35 GLY B N 1 +ATOM 4610 C CA . GLY B 2 34 ? -9.312 -19.053 -17.949 1.00 47.56 ? 35 GLY B CA 1 +ATOM 4611 C C . GLY B 2 34 ? -8.294 -18.136 -18.602 1.00 48.39 ? 35 GLY B C 1 +ATOM 4612 O O . GLY B 2 34 ? -8.653 -17.178 -19.295 1.00 46.82 ? 35 GLY B O 1 +ATOM 4613 N N A SER B 2 35 ? -7.009 -18.431 -18.427 0.50 44.45 ? 36 SER B N 1 +ATOM 4614 N N B SER B 2 35 ? -7.008 -18.415 -18.370 0.50 44.48 ? 36 SER B N 1 +ATOM 4615 C CA A SER B 2 35 ? -5.979 -17.556 -18.974 0.50 46.86 ? 36 SER B CA 1 +ATOM 4616 C CA B SER B 2 35 ? -5.945 -17.626 -18.977 0.50 46.88 ? 36 SER B CA 1 +ATOM 4617 C C A SER B 2 35 ? -5.859 -17.686 -20.493 0.50 45.63 ? 36 SER B C 1 +ATOM 4618 C C B SER B 2 35 ? -6.046 -17.655 -20.490 0.50 45.42 ? 36 SER B C 1 +ATOM 4619 O O A SER B 2 35 ? -5.497 -16.715 -21.165 0.50 46.45 ? 36 SER B O 1 +ATOM 4620 O O B SER B 2 35 ? -5.994 -16.614 -21.152 0.50 45.15 ? 36 SER B O 1 +ATOM 4621 C CB A SER B 2 35 ? -4.640 -17.828 -18.286 0.50 45.35 ? 36 SER B CB 1 +ATOM 4622 C CB B SER B 2 35 ? -4.581 -18.156 -18.537 0.50 45.56 ? 36 SER B CB 1 +ATOM 4623 O OG A SER B 2 35 ? -4.203 -19.149 -18.503 0.50 44.35 ? 36 SER B OG 1 +ATOM 4624 O OG B SER B 2 35 ? -4.435 -18.106 -17.142 0.50 43.14 ? 36 SER B OG 1 +ATOM 4625 N N . MET B 2 36 ? -6.176 -18.854 -21.052 1.00 46.98 ? 37 MET B N 1 +ATOM 4626 C CA . MET B 2 36 ? -6.192 -19.001 -22.498 1.00 44.38 ? 37 MET B CA 1 +ATOM 4627 C C . MET B 2 36 ? -7.337 -18.207 -23.101 1.00 45.69 ? 37 MET B C 1 +ATOM 4628 O O . MET B 2 36 ? -7.164 -17.523 -24.113 1.00 47.60 ? 37 MET B O 1 +ATOM 4629 C CB . MET B 2 36 ? -6.305 -20.494 -22.861 1.00 47.85 ? 37 MET B CB 1 +ATOM 4630 C CG . MET B 2 36 ? -6.075 -20.841 -24.324 1.00 40.66 ? 37 MET B CG 1 +ATOM 4631 S SD . MET B 2 36 ? -4.342 -20.749 -24.836 1.00 46.74 ? 37 MET B SD 1 +ATOM 4632 C CE . MET B 2 36 ? -4.304 -19.078 -25.535 1.00 43.62 ? 37 MET B CE 1 +ATOM 4633 N N . ALA B 2 37 ? -8.505 -18.248 -22.460 1.00 47.32 ? 38 ALA B N 1 +ATOM 4634 C CA . ALA B 2 37 ? -9.645 -17.488 -22.961 1.00 46.82 ? 38 ALA B CA 1 +ATOM 4635 C C . ALA B 2 37 ? -9.381 -15.981 -22.894 1.00 43.42 ? 38 ALA B C 1 +ATOM 4636 O O . ALA B 2 37 ? -9.742 -15.242 -23.810 1.00 46.68 ? 38 ALA B O 1 +ATOM 4637 C CB . ALA B 2 37 ? -10.895 -17.882 -22.173 1.00 48.05 ? 38 ALA B CB 1 +ATOM 4638 N N . LEU B 2 38 ? -8.730 -15.508 -21.828 1.00 46.85 ? 39 LEU B N 1 +ATOM 4639 C CA . LEU B 2 38 ? -8.407 -14.079 -21.738 1.00 48.49 ? 39 LEU B CA 1 +ATOM 4640 C C . LEU B 2 38 ? -7.411 -13.662 -22.812 1.00 43.90 ? 39 LEU B C 1 +ATOM 4641 O O . LEU B 2 38 ? -7.546 -12.588 -23.400 1.00 47.04 ? 39 LEU B O 1 +ATOM 4642 C CB . LEU B 2 38 ? -7.857 -13.744 -20.356 1.00 43.00 ? 39 LEU B CB 1 +ATOM 4643 C CG . LEU B 2 38 ? -8.914 -13.803 -19.257 1.00 64.37 ? 39 LEU B CG 1 +ATOM 4644 C CD1 . LEU B 2 38 ? -8.316 -13.522 -17.865 1.00 48.50 ? 39 LEU B CD1 1 +ATOM 4645 C CD2 . LEU B 2 38 ? -10.075 -12.847 -19.590 1.00 49.82 ? 39 LEU B CD2 1 +ATOM 4646 N N . TYR B 2 39 ? -6.401 -14.498 -23.079 1.00 48.97 ? 40 TYR B N 1 +ATOM 4647 C CA . TYR B 2 39 ? -5.446 -14.190 -24.139 1.00 43.96 ? 40 TYR B CA 1 +ATOM 4648 C C . TYR B 2 39 ? -6.143 -14.118 -25.490 1.00 46.15 ? 40 TYR B C 1 +ATOM 4649 O O . TYR B 2 39 ? -5.896 -13.195 -26.279 1.00 47.57 ? 40 TYR B O 1 +ATOM 4650 C CB . TYR B 2 39 ? -4.322 -15.229 -24.148 1.00 45.56 ? 40 TYR B CB 1 +ATOM 4651 C CG . TYR B 2 39 ? -3.291 -15.073 -25.250 1.00 53.74 ? 40 TYR B CG 1 +ATOM 4652 C CD1 . TYR B 2 39 ? -2.200 -14.209 -25.098 1.00 52.34 ? 40 TYR B CD1 1 +ATOM 4653 C CD2 . TYR B 2 39 ? -3.398 -15.803 -26.444 1.00 48.54 ? 40 TYR B CD2 1 +ATOM 4654 C CE1 . TYR B 2 39 ? -1.250 -14.075 -26.114 1.00 58.98 ? 40 TYR B CE1 1 +ATOM 4655 C CE2 . TYR B 2 39 ? -2.452 -15.689 -27.452 1.00 49.94 ? 40 TYR B CE2 1 +ATOM 4656 C CZ . TYR B 2 39 ? -1.387 -14.811 -27.280 1.00 54.12 ? 40 TYR B CZ 1 +ATOM 4657 O OH . TYR B 2 39 ? -0.450 -14.701 -28.265 1.00 57.59 ? 40 TYR B OH 1 +ATOM 4658 N N . GLU B 2 40 ? -7.051 -15.061 -25.759 1.00 46.97 ? 41 GLU B N 1 +ATOM 4659 C CA . GLU B 2 40 ? -7.751 -15.056 -27.040 1.00 45.91 ? 41 GLU B CA 1 +ATOM 4660 C C . GLU B 2 40 ? -8.650 -13.842 -27.165 1.00 42.11 ? 41 GLU B C 1 +ATOM 4661 O O . GLU B 2 40 ? -8.709 -13.218 -28.229 1.00 48.83 ? 41 GLU B O 1 +ATOM 4662 C CB . GLU B 2 40 ? -8.544 -16.354 -27.219 1.00 48.29 ? 41 GLU B CB 1 +ATOM 4663 C CG . GLU B 2 40 ? -7.643 -17.524 -27.529 1.00 44.46 ? 41 GLU B CG 1 +ATOM 4664 C CD . GLU B 2 40 ? -8.387 -18.810 -27.819 1.00 47.03 ? 41 GLU B CD 1 +ATOM 4665 O OE1 . GLU B 2 40 ? -9.629 -18.799 -27.946 1.00 50.47 ? 41 GLU B OE1 1 +ATOM 4666 O OE2 . GLU B 2 40 ? -7.705 -19.838 -27.935 1.00 48.62 ? 41 GLU B OE2 1 +ATOM 4667 N N . LEU B 2 41 ? -9.331 -13.469 -26.079 1.00 49.29 ? 42 LEU B N 1 +ATOM 4668 C CA . LEU B 2 41 ? -10.170 -12.276 -26.111 1.00 50.35 ? 42 LEU B CA 1 +ATOM 4669 C C . LEU B 2 41 ? -9.358 -11.008 -26.347 1.00 55.28 ? 42 LEU B C 1 +ATOM 4670 O O . LEU B 2 41 ? -9.872 -10.043 -26.922 1.00 53.56 ? 42 LEU B O 1 +ATOM 4671 C CB . LEU B 2 41 ? -10.958 -12.145 -24.808 1.00 46.19 ? 42 LEU B CB 1 +ATOM 4672 C CG . LEU B 2 41 ? -12.130 -13.125 -24.735 1.00 66.04 ? 42 LEU B CG 1 +ATOM 4673 C CD1 . LEU B 2 41 ? -12.849 -13.020 -23.371 1.00 56.17 ? 42 LEU B CD1 1 +ATOM 4674 C CD2 . LEU B 2 41 ? -13.088 -12.951 -25.930 1.00 49.39 ? 42 LEU B CD2 1 +ATOM 4675 N N . ALA B 2 42 ? -8.117 -10.968 -25.872 1.00 53.43 ? 43 ALA B N 1 +ATOM 4676 C CA . ALA B 2 42 ? -7.301 -9.781 -26.059 1.00 48.60 ? 43 ALA B CA 1 +ATOM 4677 C C . ALA B 2 42 ? -6.757 -9.682 -27.471 1.00 53.41 ? 43 ALA B C 1 +ATOM 4678 O O . ALA B 2 42 ? -6.260 -8.626 -27.863 1.00 53.59 ? 43 ALA B O 1 +ATOM 4679 C CB . ALA B 2 42 ? -6.147 -9.761 -25.062 1.00 46.91 ? 43 ALA B CB 1 +ATOM 4680 N N . THR B 2 43 ? -6.814 -10.758 -28.238 1.00 52.91 ? 44 THR B N 1 +ATOM 4681 C CA . THR B 2 43 ? -6.271 -10.739 -29.575 1.00 53.02 ? 44 THR B CA 1 +ATOM 4682 C C . THR B 2 43 ? -7.329 -10.956 -30.645 1.00 55.90 ? 44 THR B C 1 +ATOM 4683 O O . THR B 2 43 ? -7.048 -10.712 -31.819 1.00 56.99 ? 44 THR B O 1 +ATOM 4684 C CB . THR B 2 43 ? -5.167 -11.797 -29.712 1.00 53.18 ? 44 THR B CB 1 +ATOM 4685 O OG1 . THR B 2 43 ? -5.717 -13.085 -29.442 1.00 64.78 ? 44 THR B OG1 1 +ATOM 4686 C CG2 . THR B 2 43 ? -4.056 -11.539 -28.714 1.00 45.24 ? 44 THR B CG2 1 +ATOM 4687 N N . PHE B 2 44 ? -8.533 -11.392 -30.275 1.00 49.24 ? 45 PHE B N 1 +ATOM 4688 C CA . PHE B 2 44 ? -9.548 -11.743 -31.262 1.00 57.45 ? 45 PHE B CA 1 +ATOM 4689 C C . PHE B 2 44 ? -10.113 -10.482 -31.903 1.00 53.91 ? 45 PHE B C 1 +ATOM 4690 O O . PHE B 2 44 ? -10.469 -9.531 -31.203 1.00 50.16 ? 45 PHE B O 1 +ATOM 4691 C CB . PHE B 2 44 ? -10.670 -12.547 -30.601 1.00 46.14 ? 45 PHE B CB 1 +ATOM 4692 C CG . PHE B 2 44 ? -11.802 -12.902 -31.528 1.00 47.14 ? 45 PHE B CG 1 +ATOM 4693 C CD1 . PHE B 2 44 ? -11.589 -13.743 -32.611 1.00 44.13 ? 45 PHE B CD1 1 +ATOM 4694 C CD2 . PHE B 2 44 ? -13.075 -12.422 -31.303 1.00 50.96 ? 45 PHE B CD2 1 +ATOM 4695 C CE1 . PHE B 2 44 ? -12.627 -14.090 -33.469 1.00 52.99 ? 45 PHE B CE1 1 +ATOM 4696 C CE2 . PHE B 2 44 ? -14.123 -12.770 -32.141 1.00 53.04 ? 45 PHE B CE2 1 +ATOM 4697 C CZ . PHE B 2 44 ? -13.900 -13.603 -33.230 1.00 48.16 ? 45 PHE B CZ 1 +ATOM 4698 N N . ASP B 2 45 ? -10.202 -10.482 -33.238 1.00 48.93 ? 46 ASP B N 1 +ATOM 4699 C CA . ASP B 2 45 ? -10.844 -9.402 -33.979 1.00 48.57 ? 46 ASP B CA 1 +ATOM 4700 C C . ASP B 2 45 ? -12.260 -9.846 -34.326 1.00 47.78 ? 46 ASP B C 1 +ATOM 4701 O O . ASP B 2 45 ? -12.425 -10.742 -35.162 1.00 50.64 ? 46 ASP B O 1 +ATOM 4702 C CB . ASP B 2 45 ? -10.046 -9.079 -35.242 1.00 46.87 ? 46 ASP B CB 1 +ATOM 4703 C CG . ASP B 2 45 ? -10.706 -8.006 -36.136 1.00 57.77 ? 46 ASP B CG 1 +ATOM 4704 O OD1 . ASP B 2 45 ? -11.703 -7.370 -35.740 1.00 52.58 ? 46 ASP B OD1 1 +ATOM 4705 O OD2 . ASP B 2 45 ? -10.214 -7.817 -37.268 1.00 70.78 ? 46 ASP B OD2 1 +ATOM 4706 N N . PRO B 2 46 ? -13.300 -9.292 -33.704 1.00 55.83 ? 47 PRO B N 1 +ATOM 4707 C CA . PRO B 2 46 ? -14.671 -9.731 -33.990 1.00 46.65 ? 47 PRO B CA 1 +ATOM 4708 C C . PRO B 2 46 ? -15.318 -9.052 -35.193 1.00 64.67 ? 47 PRO B C 1 +ATOM 4709 O O . PRO B 2 46 ? -16.492 -9.318 -35.472 1.00 53.12 ? 47 PRO B O 1 +ATOM 4710 C CB . PRO B 2 46 ? -15.410 -9.340 -32.699 1.00 53.86 ? 47 PRO B CB 1 +ATOM 4711 C CG . PRO B 2 46 ? -14.705 -8.116 -32.224 1.00 49.67 ? 47 PRO B CG 1 +ATOM 4712 C CD . PRO B 2 46 ? -13.260 -8.227 -32.679 1.00 53.92 ? 47 PRO B CD 1 +ATOM 4713 N N . SER B 2 47 ? -14.601 -8.201 -35.925 1.00 46.75 ? 48 SER B N 1 +ATOM 4714 C CA . SER B 2 47 ? -15.275 -7.303 -36.853 1.00 52.33 ? 48 SER B CA 1 +ATOM 4715 C C . SER B 2 47 ? -15.650 -7.931 -38.198 1.00 54.36 ? 48 SER B C 1 +ATOM 4716 O O . SER B 2 47 ? -16.305 -7.259 -38.991 1.00 61.47 ? 48 SER B O 1 +ATOM 4717 C CB . SER B 2 47 ? -14.407 -6.074 -37.093 1.00 46.35 ? 48 SER B CB 1 +ATOM 4718 O OG . SER B 2 47 ? -13.254 -6.439 -37.806 1.00 59.26 ? 48 SER B OG 1 +ATOM 4719 N N . ASP B 2 48 ? -15.288 -9.175 -38.503 1.00 57.38 ? 49 ASP B N 1 +ATOM 4720 C CA . ASP B 2 48 ? -15.601 -9.760 -39.810 1.00 53.06 ? 49 ASP B CA 1 +ATOM 4721 C C . ASP B 2 48 ? -15.778 -11.267 -39.691 1.00 53.92 ? 49 ASP B C 1 +ATOM 4722 O O . ASP B 2 48 ? -14.876 -12.047 -40.016 1.00 51.47 ? 49 ASP B O 1 +ATOM 4723 C CB . ASP B 2 48 ? -14.524 -9.410 -40.847 1.00 47.54 ? 49 ASP B CB 1 +ATOM 4724 C CG . ASP B 2 48 ? -14.886 -9.864 -42.246 1.00 48.61 ? 49 ASP B CG 1 +ATOM 4725 O OD1 . ASP B 2 48 ? -16.020 -10.322 -42.488 1.00 50.03 ? 49 ASP B OD1 1 +ATOM 4726 O OD2 . ASP B 2 48 ? -14.009 -9.804 -43.116 1.00 58.63 ? 49 ASP B OD2 1 +ATOM 4727 N N . PRO B 2 49 ? -16.966 -11.721 -39.271 1.00 58.99 ? 50 PRO B N 1 +ATOM 4728 C CA . PRO B 2 49 ? -17.218 -13.170 -39.188 1.00 54.83 ? 50 PRO B CA 1 +ATOM 4729 C C . PRO B 2 49 ? -17.227 -13.881 -40.534 1.00 51.44 ? 50 PRO B C 1 +ATOM 4730 O O . PRO B 2 49 ? -17.325 -15.115 -40.561 1.00 58.89 ? 50 PRO B O 1 +ATOM 4731 C CB . PRO B 2 49 ? -18.597 -13.250 -38.511 1.00 57.21 ? 50 PRO B CB 1 +ATOM 4732 C CG . PRO B 2 49 ? -19.199 -11.911 -38.685 1.00 63.37 ? 50 PRO B CG 1 +ATOM 4733 C CD . PRO B 2 49 ? -18.069 -10.933 -38.700 1.00 54.84 ? 50 PRO B CD 1 +ATOM 4734 N N . VAL B 2 50 ? -17.125 -13.155 -41.641 1.00 57.93 ? 51 VAL B N 1 +ATOM 4735 C CA . VAL B 2 50 ? -17.253 -13.724 -42.983 1.00 62.06 ? 51 VAL B CA 1 +ATOM 4736 C C . VAL B 2 50 ? -15.893 -14.152 -43.515 1.00 44.12 ? 51 VAL B C 1 +ATOM 4737 O O . VAL B 2 50 ? -15.678 -15.318 -43.821 1.00 52.60 ? 51 VAL B O 1 +ATOM 4738 C CB . VAL B 2 50 ? -17.903 -12.712 -43.941 1.00 62.20 ? 51 VAL B CB 1 +ATOM 4739 C CG1 . VAL B 2 50 ? -17.785 -13.198 -45.390 1.00 54.02 ? 51 VAL B CG1 1 +ATOM 4740 C CG2 . VAL B 2 50 ? -19.333 -12.498 -43.559 1.00 53.37 ? 51 VAL B CG2 1 +ATOM 4741 N N . LEU B 2 51 ? -14.971 -13.205 -43.646 1.00 53.51 ? 52 LEU B N 1 +ATOM 4742 C CA . LEU B 2 51 ? -13.649 -13.499 -44.165 1.00 48.70 ? 52 LEU B CA 1 +ATOM 4743 C C . LEU B 2 51 ? -12.568 -13.511 -43.095 1.00 53.57 ? 52 LEU B C 1 +ATOM 4744 O O . LEU B 2 51 ? -11.418 -13.849 -43.401 1.00 46.88 ? 52 LEU B O 1 +ATOM 4745 C CB . LEU B 2 51 ? -13.287 -12.497 -45.254 1.00 47.78 ? 52 LEU B CB 1 +ATOM 4746 C CG . LEU B 2 51 ? -14.222 -12.563 -46.455 1.00 48.02 ? 52 LEU B CG 1 +ATOM 4747 C CD1 . LEU B 2 51 ? -13.718 -11.579 -47.528 1.00 45.09 ? 52 LEU B CD1 1 +ATOM 4748 C CD2 . LEU B 2 51 ? -14.255 -13.994 -46.950 1.00 45.81 ? 52 LEU B CD2 1 +ATOM 4749 N N . ASN B 2 52 ? -12.883 -13.154 -41.853 1.00 47.10 ? 53 ASN B N 1 +ATOM 4750 C CA . ASN B 2 52 ? -11.918 -13.291 -40.759 1.00 49.24 ? 53 ASN B CA 1 +ATOM 4751 C C . ASN B 2 52 ? -12.535 -13.997 -39.554 1.00 39.37 ? 53 ASN B C 1 +ATOM 4752 O O . ASN B 2 52 ? -12.521 -13.471 -38.435 1.00 46.01 ? 53 ASN B O 1 +ATOM 4753 C CB . ASN B 2 52 ? -11.336 -11.938 -40.355 1.00 41.96 ? 53 ASN B CB 1 +ATOM 4754 C CG . ASN B 2 52 ? -10.032 -12.098 -39.606 1.00 48.84 ? 53 ASN B CG 1 +ATOM 4755 O OD1 . ASN B 2 52 ? -9.409 -13.165 -39.681 1.00 44.97 ? 53 ASN B OD1 1 +ATOM 4756 N ND2 . ASN B 2 52 ? -9.612 -11.065 -38.877 1.00 41.89 ? 53 ASN B ND2 1 +ATOM 4757 N N . PRO B 2 53 ? -13.067 -15.204 -39.739 1.00 43.15 ? 54 PRO B N 1 +ATOM 4758 C CA . PRO B 2 53 ? -13.643 -15.923 -38.600 1.00 48.42 ? 54 PRO B CA 1 +ATOM 4759 C C . PRO B 2 53 ? -12.558 -16.406 -37.638 1.00 59.24 ? 54 PRO B C 1 +ATOM 4760 O O . PRO B 2 53 ? -11.357 -16.432 -37.944 1.00 42.62 ? 54 PRO B O 1 +ATOM 4761 C CB . PRO B 2 53 ? -14.373 -17.094 -39.262 1.00 45.09 ? 54 PRO B CB 1 +ATOM 4762 C CG . PRO B 2 53 ? -13.513 -17.412 -40.432 1.00 46.52 ? 54 PRO B CG 1 +ATOM 4763 C CD . PRO B 2 53 ? -13.081 -16.043 -40.960 1.00 48.19 ? 54 PRO B CD 1 +ATOM 4764 N N . MET B 2 54 ? -13.031 -16.842 -36.460 1.00 48.41 ? 55 MET B N 1 +ATOM 4765 C CA . MET B 2 54 ? -12.144 -17.235 -35.366 1.00 47.91 ? 55 MET B CA 1 +ATOM 4766 C C . MET B 2 54 ? -11.101 -18.269 -35.799 1.00 51.08 ? 55 MET B C 1 +ATOM 4767 O O . MET B 2 54 ? -9.956 -18.235 -35.337 1.00 50.77 ? 55 MET B O 1 +ATOM 4768 C CB . MET B 2 54 ? -12.977 -17.770 -34.203 1.00 49.68 ? 55 MET B CB 1 +ATOM 4769 C CG . MET B 2 54 ? -13.848 -18.986 -34.536 1.00 49.37 ? 55 MET B CG 1 +ATOM 4770 S SD . MET B 2 54 ? -14.652 -19.618 -33.030 1.00 53.47 ? 55 MET B SD 1 +ATOM 4771 C CE . MET B 2 54 ? -16.044 -18.507 -32.859 1.00 54.95 ? 55 MET B CE 1 +ATOM 4772 N N . TRP B 2 55 ? -11.466 -19.188 -36.686 1.00 42.22 ? 56 TRP B N 1 +ATOM 4773 C CA . TRP B 2 55 ? -10.503 -20.222 -37.033 1.00 44.16 ? 56 TRP B CA 1 +ATOM 4774 C C . TRP B 2 55 ? -9.386 -19.723 -37.946 1.00 49.99 ? 56 TRP B C 1 +ATOM 4775 O O . TRP B 2 55 ? -8.382 -20.433 -38.101 1.00 45.69 ? 56 TRP B O 1 +ATOM 4776 C CB . TRP B 2 55 ? -11.218 -21.438 -37.656 1.00 38.27 ? 56 TRP B CB 1 +ATOM 4777 C CG . TRP B 2 55 ? -12.156 -21.116 -38.762 1.00 47.89 ? 56 TRP B CG 1 +ATOM 4778 C CD1 . TRP B 2 55 ? -13.499 -20.863 -38.653 1.00 47.28 ? 56 TRP B CD1 1 +ATOM 4779 C CD2 . TRP B 2 55 ? -11.841 -21.022 -40.164 1.00 47.86 ? 56 TRP B CD2 1 +ATOM 4780 N NE1 . TRP B 2 55 ? -14.032 -20.617 -39.895 1.00 50.56 ? 56 TRP B NE1 1 +ATOM 4781 C CE2 . TRP B 2 55 ? -13.042 -20.708 -40.839 1.00 47.04 ? 56 TRP B CE2 1 +ATOM 4782 C CE3 . TRP B 2 55 ? -10.658 -21.170 -40.914 1.00 42.53 ? 56 TRP B CE3 1 +ATOM 4783 C CZ2 . TRP B 2 55 ? -13.098 -20.531 -42.222 1.00 44.40 ? 56 TRP B CZ2 1 +ATOM 4784 C CZ3 . TRP B 2 55 ? -10.718 -21.010 -42.287 1.00 47.52 ? 56 TRP B CZ3 1 +ATOM 4785 C CH2 . TRP B 2 55 ? -11.930 -20.679 -42.930 1.00 46.06 ? 56 TRP B CH2 1 +ATOM 4786 N N . ARG B 2 56 ? -9.537 -18.544 -38.566 1.00 45.73 ? 57 ARG B N 1 +ATOM 4787 C CA . ARG B 2 56 ? -8.431 -17.909 -39.278 1.00 43.01 ? 57 ARG B CA 1 +ATOM 4788 C C . ARG B 2 56 ? -7.469 -17.205 -38.333 1.00 47.21 ? 57 ARG B C 1 +ATOM 4789 O O . ARG B 2 56 ? -6.354 -16.858 -38.742 1.00 49.96 ? 57 ARG B O 1 +ATOM 4790 C CB . ARG B 2 56 ? -8.957 -16.891 -40.305 1.00 42.67 ? 57 ARG B CB 1 +ATOM 4791 C CG . ARG B 2 56 ? -9.768 -17.507 -41.461 1.00 45.95 ? 57 ARG B CG 1 +ATOM 4792 C CD . ARG B 2 56 ? -8.856 -18.077 -42.546 1.00 48.36 ? 57 ARG B CD 1 +ATOM 4793 N NE . ARG B 2 56 ? -7.931 -17.053 -43.014 1.00 50.79 ? 57 ARG B NE 1 +ATOM 4794 C CZ . ARG B 2 56 ? -6.900 -17.267 -43.820 1.00 48.02 ? 57 ARG B CZ 1 +ATOM 4795 N NH1 . ARG B 2 56 ? -6.705 -18.441 -44.397 1.00 44.03 ? 57 ARG B NH1 1 +ATOM 4796 N NH2 . ARG B 2 56 ? -6.023 -16.286 -44.023 1.00 47.52 ? 57 ARG B NH2 1 +ATOM 4797 N N . GLN B 2 57 ? -7.871 -17.011 -37.078 1.00 45.76 ? 58 GLN B N 1 +ATOM 4798 C CA . GLN B 2 57 ? -7.157 -16.187 -36.118 1.00 42.66 ? 58 GLN B CA 1 +ATOM 4799 C C . GLN B 2 57 ? -6.423 -17.003 -35.064 1.00 47.52 ? 58 GLN B C 1 +ATOM 4800 O O . GLN B 2 57 ? -5.948 -16.433 -34.073 1.00 48.60 ? 58 GLN B O 1 +ATOM 4801 C CB . GLN B 2 57 ? -8.141 -15.221 -35.450 1.00 43.72 ? 58 GLN B CB 1 +ATOM 4802 C CG . GLN B 2 57 ? -8.694 -14.146 -36.430 1.00 50.15 ? 58 GLN B CG 1 +ATOM 4803 C CD . GLN B 2 57 ? -9.592 -13.148 -35.724 1.00 48.11 ? 58 GLN B CD 1 +ATOM 4804 O OE1 . GLN B 2 57 ? -9.199 -12.548 -34.731 1.00 49.77 ? 58 GLN B OE1 1 +ATOM 4805 N NE2 . GLN B 2 57 ? -10.822 -12.987 -36.224 1.00 49.47 ? 58 GLN B NE2 1 +ATOM 4806 N N . GLY B 2 58 ? -6.310 -18.312 -35.255 1.00 42.89 ? 59 GLY B N 1 +ATOM 4807 C CA . GLY B 2 58 ? -5.637 -19.152 -34.285 1.00 48.82 ? 59 GLY B CA 1 +ATOM 4808 C C . GLY B 2 58 ? -6.390 -19.361 -32.993 1.00 50.49 ? 59 GLY B C 1 +ATOM 4809 O O . GLY B 2 58 ? -5.770 -19.670 -31.966 1.00 46.66 ? 59 GLY B O 1 +ATOM 4810 N N . MET B 2 59 ? -7.707 -19.178 -32.995 1.00 44.48 ? 60 MET B N 1 +ATOM 4811 C CA . MET B 2 59 ? -8.477 -19.322 -31.764 1.00 42.42 ? 60 MET B CA 1 +ATOM 4812 C C . MET B 2 59 ? -8.712 -20.803 -31.479 1.00 46.33 ? 60 MET B C 1 +ATOM 4813 O O . MET B 2 59 ? -9.169 -21.545 -32.349 1.00 44.06 ? 60 MET B O 1 +ATOM 4814 C CB . MET B 2 59 ? -9.807 -18.569 -31.864 1.00 41.93 ? 60 MET B CB 1 +ATOM 4815 C CG . MET B 2 59 ? -9.660 -17.059 -32.053 1.00 46.41 ? 60 MET B CG 1 +ATOM 4816 S SD . MET B 2 59 ? -8.761 -16.277 -30.691 1.00 49.63 ? 60 MET B SD 1 +ATOM 4817 C CE . MET B 2 59 ? -7.675 -15.172 -31.591 1.00 44.35 ? 60 MET B CE 1 +ATOM 4818 N N . PHE B 2 60 ? -8.379 -21.232 -30.264 1.00 46.01 ? 61 PHE B N 1 +ATOM 4819 C CA . PHE B 2 60 ? -8.456 -22.629 -29.876 1.00 42.91 ? 61 PHE B CA 1 +ATOM 4820 C C . PHE B 2 60 ? -9.564 -22.908 -28.871 1.00 51.71 ? 61 PHE B C 1 +ATOM 4821 O O . PHE B 2 60 ? -10.290 -23.886 -29.033 1.00 52.40 ? 61 PHE B O 1 +ATOM 4822 C CB . PHE B 2 60 ? -7.107 -23.085 -29.303 1.00 49.77 ? 61 PHE B CB 1 +ATOM 4823 C CG . PHE B 2 60 ? -7.033 -24.569 -28.960 1.00 53.83 ? 61 PHE B CG 1 +ATOM 4824 C CD1 . PHE B 2 60 ? -7.287 -25.542 -29.917 1.00 51.38 ? 61 PHE B CD1 1 +ATOM 4825 C CD2 . PHE B 2 60 ? -6.656 -24.978 -27.688 1.00 51.54 ? 61 PHE B CD2 1 +ATOM 4826 C CE1 . PHE B 2 60 ? -7.202 -26.888 -29.601 1.00 52.42 ? 61 PHE B CE1 1 +ATOM 4827 C CE2 . PHE B 2 60 ? -6.555 -26.334 -27.365 1.00 53.40 ? 61 PHE B CE2 1 +ATOM 4828 C CZ . PHE B 2 60 ? -6.827 -27.287 -28.324 1.00 51.98 ? 61 PHE B CZ 1 +ATOM 4829 N N . VAL B 2 61 ? -9.745 -22.073 -27.849 1.00 39.46 ? 62 VAL B N 1 +ATOM 4830 C CA . VAL B 2 61 ? -10.788 -22.355 -26.871 1.00 46.38 ? 62 VAL B CA 1 +ATOM 4831 C C . VAL B 2 61 ? -12.064 -21.583 -27.186 1.00 47.07 ? 62 VAL B C 1 +ATOM 4832 O O . VAL B 2 61 ? -13.161 -22.026 -26.829 1.00 48.29 ? 62 VAL B O 1 +ATOM 4833 C CB . VAL B 2 61 ? -10.319 -22.095 -25.415 1.00 48.46 ? 62 VAL B CB 1 +ATOM 4834 C CG1 . VAL B 2 61 ? -9.258 -23.144 -25.002 1.00 50.03 ? 62 VAL B CG1 1 +ATOM 4835 C CG2 . VAL B 2 61 ? -9.843 -20.643 -25.183 1.00 42.59 ? 62 VAL B CG2 1 +ATOM 4836 N N . LEU B 2 62 ? -11.952 -20.446 -27.865 1.00 38.75 ? 63 LEU B N 1 +ATOM 4837 C CA . LEU B 2 62 ? -13.159 -19.746 -28.307 1.00 53.16 ? 63 LEU B CA 1 +ATOM 4838 C C . LEU B 2 62 ? -14.168 -20.662 -29.000 1.00 49.89 ? 63 LEU B C 1 +ATOM 4839 O O . LEU B 2 62 ? -15.354 -20.608 -28.641 1.00 49.92 ? 63 LEU B O 1 +ATOM 4840 C CB . LEU B 2 62 ? -12.786 -18.562 -29.214 1.00 43.47 ? 63 LEU B CB 1 +ATOM 4841 C CG . LEU B 2 62 ? -13.641 -17.307 -29.043 1.00 60.00 ? 63 LEU B CG 1 +ATOM 4842 C CD1 . LEU B 2 62 ? -13.455 -16.714 -27.657 1.00 52.98 ? 63 LEU B CD1 1 +ATOM 4843 C CD2 . LEU B 2 62 ? -13.310 -16.240 -30.112 1.00 66.04 ? 63 LEU B CD2 1 +ATOM 4844 N N . PRO B 2 63 ? -13.791 -21.524 -29.961 1.00 53.59 ? 64 PRO B N 1 +ATOM 4845 C CA . PRO B 2 63 ? -14.811 -22.400 -30.578 1.00 45.82 ? 64 PRO B CA 1 +ATOM 4846 C C . PRO B 2 63 ? -15.468 -23.371 -29.604 1.00 54.59 ? 64 PRO B C 1 +ATOM 4847 O O . PRO B 2 63 ? -16.628 -23.753 -29.818 1.00 46.96 ? 64 PRO B O 1 +ATOM 4848 C CB . PRO B 2 63 ? -14.028 -23.138 -31.675 1.00 45.21 ? 64 PRO B CB 1 +ATOM 4849 C CG . PRO B 2 63 ? -12.593 -22.996 -31.299 1.00 50.44 ? 64 PRO B CG 1 +ATOM 4850 C CD . PRO B 2 63 ? -12.474 -21.681 -30.615 1.00 48.04 ? 64 PRO B CD 1 +ATOM 4851 N N . PHE B 2 64 ? -14.783 -23.762 -28.519 1.00 49.16 ? 65 PHE B N 1 +ATOM 4852 C CA . PHE B 2 64 ? -15.409 -24.664 -27.560 1.00 49.27 ? 65 PHE B CA 1 +ATOM 4853 C C . PHE B 2 64 ? -16.447 -23.955 -26.695 1.00 54.50 ? 65 PHE B C 1 +ATOM 4854 O O . PHE B 2 64 ? -17.463 -24.565 -26.333 1.00 49.60 ? 65 PHE B O 1 +ATOM 4855 C CB . PHE B 2 64 ? -14.330 -25.364 -26.720 1.00 45.14 ? 65 PHE B CB 1 +ATOM 4856 C CG . PHE B 2 64 ? -13.555 -26.376 -27.503 1.00 45.31 ? 65 PHE B CG 1 +ATOM 4857 C CD1 . PHE B 2 64 ? -12.397 -26.009 -28.181 1.00 43.89 ? 65 PHE B CD1 1 +ATOM 4858 C CD2 . PHE B 2 64 ? -14.028 -27.684 -27.631 1.00 43.21 ? 65 PHE B CD2 1 +ATOM 4859 C CE1 . PHE B 2 64 ? -11.697 -26.940 -28.959 1.00 43.83 ? 65 PHE B CE1 1 +ATOM 4860 C CE2 . PHE B 2 64 ? -13.344 -28.606 -28.406 1.00 47.85 ? 65 PHE B CE2 1 +ATOM 4861 C CZ . PHE B 2 64 ? -12.178 -28.237 -29.072 1.00 44.55 ? 65 PHE B CZ 1 +ATOM 4862 N N . MET B 2 65 ? -16.241 -22.675 -26.397 1.00 45.62 ? 66 MET B N 1 +ATOM 4863 C CA . MET B 2 65 ? -17.281 -21.906 -25.727 1.00 52.10 ? 66 MET B CA 1 +ATOM 4864 C C . MET B 2 65 ? -18.474 -21.692 -26.644 1.00 54.87 ? 66 MET B C 1 +ATOM 4865 O O . MET B 2 65 ? -19.628 -21.861 -26.228 1.00 51.12 ? 66 MET B O 1 +ATOM 4866 C CB . MET B 2 65 ? -16.720 -20.560 -25.247 1.00 48.56 ? 66 MET B CB 1 +ATOM 4867 C CG . MET B 2 65 ? -15.840 -20.720 -24.022 1.00 43.74 ? 66 MET B CG 1 +ATOM 4868 S SD . MET B 2 65 ? -15.165 -19.194 -23.391 1.00 50.14 ? 66 MET B SD 1 +ATOM 4869 C CE . MET B 2 65 ? -13.819 -18.936 -24.552 1.00 43.35 ? 66 MET B CE 1 +ATOM 4870 N N . ALA B 2 66 ? -18.208 -21.337 -27.900 1.00 48.08 ? 67 ALA B N 1 +ATOM 4871 C CA . ALA B 2 66 ? -19.278 -21.091 -28.858 1.00 58.51 ? 67 ALA B CA 1 +ATOM 4872 C C . ALA B 2 66 ? -20.088 -22.353 -29.113 1.00 54.04 ? 67 ALA B C 1 +ATOM 4873 O O . ALA B 2 66 ? -21.313 -22.285 -29.272 1.00 53.45 ? 67 ALA B O 1 +ATOM 4874 C CB . ALA B 2 66 ? -18.703 -20.544 -30.170 1.00 43.42 ? 67 ALA B CB 1 +ATOM 4875 N N . ARG B 2 67 ? -19.421 -23.511 -29.156 1.00 49.10 ? 68 ARG B N 1 +ATOM 4876 C CA . ARG B 2 67 ? -20.103 -24.759 -29.491 1.00 47.06 ? 68 ARG B CA 1 +ATOM 4877 C C . ARG B 2 67 ? -21.287 -25.027 -28.564 1.00 51.20 ? 68 ARG B C 1 +ATOM 4878 O O . ARG B 2 67 ? -22.338 -25.500 -29.015 1.00 49.69 ? 68 ARG B O 1 +ATOM 4879 C CB . ARG B 2 67 ? -19.117 -25.927 -29.452 1.00 48.07 ? 68 ARG B CB 1 +ATOM 4880 C CG . ARG B 2 67 ? -19.772 -27.296 -29.669 1.00 46.06 ? 68 ARG B CG 1 +ATOM 4881 C CD . ARG B 2 67 ? -18.753 -28.417 -29.915 1.00 45.23 ? 68 ARG B CD 1 +ATOM 4882 N NE . ARG B 2 67 ? -18.043 -28.820 -28.708 1.00 42.02 ? 68 ARG B NE 1 +ATOM 4883 C CZ . ARG B 2 67 ? -17.204 -29.847 -28.638 1.00 50.11 ? 68 ARG B CZ 1 +ATOM 4884 N NH1 . ARG B 2 67 ? -16.860 -30.538 -29.717 1.00 44.81 ? 68 ARG B NH1 1 +ATOM 4885 N NH2 . ARG B 2 67 ? -16.709 -30.204 -27.452 1.00 42.95 ? 68 ARG B NH2 1 +ATOM 4886 N N . LEU B 2 68 ? -21.144 -24.716 -27.274 1.00 47.25 ? 69 LEU B N 1 +ATOM 4887 C CA . LEU B 2 68 ? -22.174 -24.987 -26.277 1.00 53.03 ? 69 LEU B CA 1 +ATOM 4888 C C . LEU B 2 68 ? -23.014 -23.756 -25.917 1.00 50.54 ? 69 LEU B C 1 +ATOM 4889 O O . LEU B 2 68 ? -23.869 -23.843 -25.033 1.00 53.32 ? 69 LEU B O 1 +ATOM 4890 C CB . LEU B 2 68 ? -21.536 -25.594 -25.014 1.00 43.63 ? 69 LEU B CB 1 +ATOM 4891 C CG . LEU B 2 68 ? -20.818 -26.940 -25.137 1.00 46.45 ? 69 LEU B CG 1 +ATOM 4892 C CD1 . LEU B 2 68 ? -20.339 -27.451 -23.772 1.00 48.33 ? 69 LEU B CD1 1 +ATOM 4893 C CD2 . LEU B 2 68 ? -21.673 -27.987 -25.844 1.00 47.43 ? 69 LEU B CD2 1 +ATOM 4894 N N . GLY B 2 69 ? -22.814 -22.622 -26.582 1.00 56.30 ? 70 GLY B N 1 +ATOM 4895 C CA . GLY B 2 69 ? -23.790 -21.545 -26.535 1.00 48.66 ? 70 GLY B CA 1 +ATOM 4896 C C . GLY B 2 69 ? -23.285 -20.219 -26.027 1.00 54.15 ? 70 GLY B C 1 +ATOM 4897 O O . GLY B 2 69 ? -24.080 -19.276 -25.932 1.00 54.36 ? 70 GLY B O 1 +ATOM 4898 N N . VAL B 2 70 ? -22.017 -20.090 -25.653 1.00 56.24 ? 71 VAL B N 1 +ATOM 4899 C CA . VAL B 2 70 ? -21.449 -18.793 -25.300 1.00 52.03 ? 71 VAL B CA 1 +ATOM 4900 C C . VAL B 2 70 ? -21.014 -18.116 -26.597 1.00 59.03 ? 71 VAL B C 1 +ATOM 4901 O O . VAL B 2 70 ? -20.075 -18.559 -27.258 1.00 51.36 ? 71 VAL B O 1 +ATOM 4902 C CB . VAL B 2 70 ? -20.274 -18.941 -24.331 1.00 54.57 ? 71 VAL B CB 1 +ATOM 4903 C CG1 . VAL B 2 70 ? -19.704 -17.565 -23.995 1.00 48.68 ? 71 VAL B CG1 1 +ATOM 4904 C CG2 . VAL B 2 70 ? -20.720 -19.714 -23.086 1.00 49.28 ? 71 VAL B CG2 1 +ATOM 4905 N N . THR B 2 71 ? -21.705 -17.052 -26.974 1.00 52.30 ? 72 THR B N 1 +ATOM 4906 C CA . THR B 2 71 ? -21.479 -16.445 -28.272 1.00 55.02 ? 72 THR B CA 1 +ATOM 4907 C C . THR B 2 71 ? -21.189 -14.958 -28.229 1.00 54.81 ? 72 THR B C 1 +ATOM 4908 O O . THR B 2 71 ? -20.860 -14.393 -29.274 1.00 55.49 ? 72 THR B O 1 +ATOM 4909 C CB . THR B 2 71 ? -22.693 -16.679 -29.177 1.00 60.80 ? 72 THR B CB 1 +ATOM 4910 O OG1 . THR B 2 71 ? -23.846 -16.110 -28.557 1.00 60.69 ? 72 THR B OG1 1 +ATOM 4911 C CG2 . THR B 2 71 ? -22.911 -18.173 -29.350 1.00 56.06 ? 72 THR B CG2 1 +ATOM 4912 N N . GLY B 2 72 ? -21.285 -14.312 -27.066 1.00 55.51 ? 73 GLY B N 1 +ATOM 4913 C CA . GLY B 2 72 ? -21.208 -12.875 -26.993 1.00 55.87 ? 73 GLY B CA 1 +ATOM 4914 C C . GLY B 2 72 ? -20.229 -12.399 -25.936 1.00 60.24 ? 73 GLY B C 1 +ATOM 4915 O O . GLY B 2 72 ? -19.823 -13.139 -25.026 1.00 53.14 ? 73 GLY B O 1 +ATOM 4916 N N . SER B 2 73 ? -19.848 -11.137 -26.090 1.00 49.25 ? 74 SER B N 1 +ATOM 4917 C CA . SER B 2 73 ? -18.932 -10.431 -25.212 1.00 52.16 ? 74 SER B CA 1 +ATOM 4918 C C . SER B 2 73 ? -19.702 -9.381 -24.430 1.00 47.95 ? 74 SER B C 1 +ATOM 4919 O O . SER B 2 73 ? -20.725 -8.874 -24.897 1.00 54.82 ? 74 SER B O 1 +ATOM 4920 C CB . SER B 2 73 ? -17.815 -9.755 -26.022 1.00 45.75 ? 74 SER B CB 1 +ATOM 4921 O OG . SER B 2 73 ? -17.155 -8.769 -25.262 1.00 43.28 ? 74 SER B OG 1 +ATOM 4922 N N . TRP B 2 74 ? -19.196 -9.054 -23.235 1.00 46.89 ? 75 TRP B N 1 +ATOM 4923 C CA . TRP B 2 74 ? -19.760 -7.946 -22.472 1.00 55.84 ? 75 TRP B CA 1 +ATOM 4924 C C . TRP B 2 74 ? -19.613 -6.613 -23.190 1.00 53.56 ? 75 TRP B C 1 +ATOM 4925 O O . TRP B 2 74 ? -20.355 -5.679 -22.883 1.00 59.92 ? 75 TRP B O 1 +ATOM 4926 C CB . TRP B 2 74 ? -19.089 -7.823 -21.108 1.00 53.17 ? 75 TRP B CB 1 +ATOM 4927 C CG . TRP B 2 74 ? -19.476 -8.835 -20.115 1.00 57.67 ? 75 TRP B CG 1 +ATOM 4928 C CD1 . TRP B 2 74 ? -20.629 -9.581 -20.079 1.00 51.41 ? 75 TRP B CD1 1 +ATOM 4929 C CD2 . TRP B 2 74 ? -18.699 -9.233 -18.995 1.00 50.90 ? 75 TRP B CD2 1 +ATOM 4930 N NE1 . TRP B 2 74 ? -20.609 -10.420 -18.988 1.00 48.48 ? 75 TRP B NE1 1 +ATOM 4931 C CE2 . TRP B 2 74 ? -19.430 -10.232 -18.311 1.00 55.42 ? 75 TRP B CE2 1 +ATOM 4932 C CE3 . TRP B 2 74 ? -17.444 -8.855 -18.507 1.00 43.55 ? 75 TRP B CE3 1 +ATOM 4933 C CZ2 . TRP B 2 74 ? -18.952 -10.842 -17.152 1.00 50.45 ? 75 TRP B CZ2 1 +ATOM 4934 C CZ3 . TRP B 2 74 ? -16.970 -9.469 -17.355 1.00 53.62 ? 75 TRP B CZ3 1 +ATOM 4935 C CH2 . TRP B 2 74 ? -17.727 -10.447 -16.691 1.00 51.25 ? 75 TRP B CH2 1 +ATOM 4936 N N . SER B 2 75 ? -18.669 -6.499 -24.120 1.00 55.53 ? 76 SER B N 1 +ATOM 4937 C CA . SER B 2 75 ? -18.442 -5.272 -24.867 1.00 56.07 ? 76 SER B CA 1 +ATOM 4938 C C . SER B 2 75 ? -19.417 -5.087 -26.032 1.00 57.73 ? 76 SER B C 1 +ATOM 4939 O O . SER B 2 75 ? -19.334 -4.067 -26.732 1.00 55.57 ? 76 SER B O 1 +ATOM 4940 C CB . SER B 2 75 ? -17.000 -5.240 -25.374 1.00 54.91 ? 76 SER B CB 1 +ATOM 4941 O OG . SER B 2 75 ? -16.792 -6.242 -26.352 1.00 61.23 ? 76 SER B OG 1 +ATOM 4942 N N . GLY B 2 76 ? -20.314 -6.050 -26.267 1.00 53.48 ? 77 GLY B N 1 +ATOM 4943 C CA . GLY B 2 76 ? -21.486 -5.838 -27.092 1.00 45.72 ? 77 GLY B CA 1 +ATOM 4944 C C . GLY B 2 76 ? -21.514 -6.561 -28.419 1.00 58.73 ? 77 GLY B C 1 +ATOM 4945 O O . GLY B 2 76 ? -22.525 -6.466 -29.121 1.00 60.90 ? 77 GLY B O 1 +ATOM 4946 N N . TRP B 2 77 ? -20.454 -7.265 -28.804 1.00 58.01 ? 78 TRP B N 1 +ATOM 4947 C CA . TRP B 2 77 ? -20.454 -8.007 -30.055 1.00 55.92 ? 78 TRP B CA 1 +ATOM 4948 C C . TRP B 2 77 ? -20.741 -9.489 -29.808 1.00 50.76 ? 78 TRP B C 1 +ATOM 4949 O O . TRP B 2 77 ? -20.604 -10.003 -28.699 1.00 51.49 ? 78 TRP B O 1 +ATOM 4950 C CB . TRP B 2 77 ? -19.119 -7.835 -30.786 1.00 47.55 ? 78 TRP B CB 1 +ATOM 4951 C CG . TRP B 2 77 ? -17.888 -8.145 -29.967 1.00 57.13 ? 78 TRP B CG 1 +ATOM 4952 C CD1 . TRP B 2 77 ? -17.088 -7.246 -29.327 1.00 54.90 ? 78 TRP B CD1 1 +ATOM 4953 C CD2 . TRP B 2 77 ? -17.301 -9.445 -29.726 1.00 49.98 ? 78 TRP B CD2 1 +ATOM 4954 N NE1 . TRP B 2 77 ? -16.040 -7.897 -28.702 1.00 54.44 ? 78 TRP B NE1 1 +ATOM 4955 C CE2 . TRP B 2 77 ? -16.149 -9.242 -28.928 1.00 50.74 ? 78 TRP B CE2 1 +ATOM 4956 C CE3 . TRP B 2 77 ? -17.641 -10.754 -30.104 1.00 48.88 ? 78 TRP B CE3 1 +ATOM 4957 C CZ2 . TRP B 2 77 ? -15.333 -10.299 -28.496 1.00 49.21 ? 78 TRP B CZ2 1 +ATOM 4958 C CZ3 . TRP B 2 77 ? -16.829 -11.807 -29.677 1.00 50.44 ? 78 TRP B CZ3 1 +ATOM 4959 C CH2 . TRP B 2 77 ? -15.688 -11.573 -28.885 1.00 56.35 ? 78 TRP B CH2 1 +ATOM 4960 N N . SER B 2 78 ? -21.169 -10.170 -30.863 1.00 51.87 ? 79 SER B N 1 +ATOM 4961 C CA . SER B 2 78 ? -21.300 -11.615 -30.840 1.00 55.46 ? 79 SER B CA 1 +ATOM 4962 C C . SER B 2 78 ? -20.529 -12.185 -32.020 1.00 56.97 ? 79 SER B C 1 +ATOM 4963 O O . SER B 2 78 ? -20.210 -11.472 -32.966 1.00 56.19 ? 79 SER B O 1 +ATOM 4964 C CB . SER B 2 78 ? -22.757 -12.053 -30.893 1.00 60.43 ? 79 SER B CB 1 +ATOM 4965 O OG . SER B 2 78 ? -23.206 -12.062 -32.228 1.00 70.44 ? 79 SER B OG 1 +ATOM 4966 N N . ILE B 2 79 ? -20.221 -13.483 -31.957 1.00 55.58 ? 80 ILE B N 1 +ATOM 4967 C CA . ILE B 2 79 ? -19.440 -14.105 -33.025 1.00 53.13 ? 80 ILE B CA 1 +ATOM 4968 C C . ILE B 2 79 ? -20.235 -14.316 -34.296 1.00 58.45 ? 80 ILE B C 1 +ATOM 4969 O O . ILE B 2 79 ? -19.636 -14.616 -35.335 1.00 65.45 ? 80 ILE B O 1 +ATOM 4970 C CB . ILE B 2 79 ? -18.868 -15.486 -32.653 1.00 56.48 ? 80 ILE B CB 1 +ATOM 4971 C CG1 . ILE B 2 79 ? -19.987 -16.392 -32.157 1.00 55.29 ? 80 ILE B CG1 1 +ATOM 4972 C CG2 . ILE B 2 79 ? -17.746 -15.366 -31.628 1.00 54.48 ? 80 ILE B CG2 1 +ATOM 4973 C CD1 . ILE B 2 79 ? -19.661 -17.802 -32.262 1.00 59.04 ? 80 ILE B CD1 1 +ATOM 4974 N N . THR B 2 80 ? -21.559 -14.193 -34.253 1.00 55.32 ? 81 THR B N 1 +ATOM 4975 C CA . THR B 2 80 ? -22.347 -14.253 -35.477 1.00 63.95 ? 81 THR B CA 1 +ATOM 4976 C C . THR B 2 80 ? -22.513 -12.888 -36.139 1.00 70.50 ? 81 THR B C 1 +ATOM 4977 O O . THR B 2 80 ? -23.199 -12.791 -37.158 1.00 74.04 ? 81 THR B O 1 +ATOM 4978 C CB . THR B 2 80 ? -23.721 -14.869 -35.213 1.00 56.00 ? 81 THR B CB 1 +ATOM 4979 O OG1 . THR B 2 80 ? -24.463 -14.021 -34.342 1.00 70.00 ? 81 THR B OG1 1 +ATOM 4980 C CG2 . THR B 2 80 ? -23.585 -16.253 -34.577 1.00 66.41 ? 81 THR B CG2 1 +ATOM 4981 N N . GLY B 2 81 ? -21.892 -11.841 -35.600 1.00 63.14 ? 82 GLY B N 1 +ATOM 4982 C CA . GLY B 2 81 ? -21.909 -10.544 -36.237 1.00 66.80 ? 82 GLY B CA 1 +ATOM 4983 C C . GLY B 2 81 ? -22.905 -9.545 -35.683 1.00 67.17 ? 82 GLY B C 1 +ATOM 4984 O O . GLY B 2 81 ? -22.940 -8.411 -36.165 1.00 75.62 ? 82 GLY B O 1 +ATOM 4985 N N . GLU B 2 82 ? -23.705 -9.915 -34.691 1.00 71.47 ? 83 GLU B N 1 +ATOM 4986 C CA . GLU B 2 82 ? -24.650 -8.970 -34.111 1.00 73.95 ? 83 GLU B CA 1 +ATOM 4987 C C . GLU B 2 82 ? -23.936 -7.957 -33.225 1.00 64.79 ? 83 GLU B C 1 +ATOM 4988 O O . GLU B 2 82 ? -22.871 -8.225 -32.660 1.00 76.20 ? 83 GLU B O 1 +ATOM 4989 C CB . GLU B 2 82 ? -25.717 -9.709 -33.304 1.00 69.58 ? 83 GLU B CB 1 +ATOM 4990 C CG . GLU B 2 82 ? -26.589 -10.630 -34.157 1.00 91.11 ? 83 GLU B CG 1 +ATOM 4991 C CD . GLU B 2 82 ? -27.387 -11.625 -33.336 1.00 110.42 ? 83 GLU B CD 1 +ATOM 4992 O OE1 . GLU B 2 82 ? -27.032 -11.861 -32.159 1.00 107.77 ? 83 GLU B OE1 1 +ATOM 4993 O OE2 . GLU B 2 82 ? -28.371 -12.177 -33.875 1.00 136.20 ? 83 GLU B OE2 1 +ATOM 4994 N N . THR B 2 83 ? -24.525 -6.769 -33.127 1.00 71.48 ? 84 THR B N 1 +ATOM 4995 C CA . THR B 2 83 ? -24.039 -5.719 -32.248 1.00 67.54 ? 84 THR B CA 1 +ATOM 4996 C C . THR B 2 83 ? -25.165 -5.292 -31.320 1.00 59.04 ? 84 THR B C 1 +ATOM 4997 O O . THR B 2 83 ? -26.346 -5.505 -31.602 1.00 63.45 ? 84 THR B O 1 +ATOM 4998 C CB . THR B 2 83 ? -23.500 -4.515 -33.039 1.00 80.55 ? 84 THR B CB 1 +ATOM 4999 O OG1 . THR B 2 83 ? -24.389 -4.205 -34.120 1.00 88.69 ? 84 THR B OG1 1 +ATOM 5000 C CG2 . THR B 2 83 ? -22.121 -4.827 -33.600 1.00 73.52 ? 84 THR B CG2 1 +ATOM 5001 N N . GLY B 2 84 ? -24.775 -4.717 -30.186 1.00 76.08 ? 85 GLY B N 1 +ATOM 5002 C CA . GLY B 2 84 ? -25.736 -4.288 -29.188 1.00 70.94 ? 85 GLY B CA 1 +ATOM 5003 C C . GLY B 2 84 ? -26.435 -5.405 -28.454 1.00 80.08 ? 85 GLY B C 1 +ATOM 5004 O O . GLY B 2 84 ? -27.538 -5.205 -27.945 1.00 81.83 ? 85 GLY B O 1 +ATOM 5005 N N . ILE B 2 85 ? -25.836 -6.583 -28.390 1.00 78.42 ? 86 ILE B N 1 +ATOM 5006 C CA . ILE B 2 85 ? -26.439 -7.699 -27.686 1.00 65.90 ? 86 ILE B CA 1 +ATOM 5007 C C . ILE B 2 85 ? -26.030 -7.619 -26.223 1.00 79.55 ? 86 ILE B C 1 +ATOM 5008 O O . ILE B 2 85 ? -25.008 -7.022 -25.869 1.00 73.47 ? 86 ILE B O 1 +ATOM 5009 C CB . ILE B 2 85 ? -26.037 -9.050 -28.307 1.00 87.73 ? 86 ILE B CB 1 +ATOM 5010 C CG1 . ILE B 2 85 ? -24.516 -9.151 -28.473 1.00 78.47 ? 86 ILE B CG1 1 +ATOM 5011 C CG2 . ILE B 2 85 ? -26.714 -9.227 -29.646 1.00 75.65 ? 86 ILE B CG2 1 +ATOM 5012 C CD1 . ILE B 2 85 ? -23.791 -9.717 -27.280 1.00 62.66 ? 86 ILE B CD1 1 +ATOM 5013 N N . ASP B 2 86 ? -26.843 -8.220 -25.362 1.00 74.72 ? 87 ASP B N 1 +ATOM 5014 C CA . ASP B 2 86 ? -26.511 -8.365 -23.948 1.00 68.34 ? 87 ASP B CA 1 +ATOM 5015 C C . ASP B 2 86 ? -26.433 -9.845 -23.632 1.00 61.39 ? 87 ASP B C 1 +ATOM 5016 O O . ASP B 2 86 ? -27.480 -10.515 -23.548 1.00 79.99 ? 87 ASP B O 1 +ATOM 5017 C CB . ASP B 2 86 ? -27.539 -7.687 -23.049 1.00 65.70 ? 87 ASP B CB 1 +ATOM 5018 C CG . ASP B 2 86 ? -27.122 -7.691 -21.596 1.00 78.29 ? 87 ASP B CG 1 +ATOM 5019 O OD1 . ASP B 2 86 ? -26.011 -8.182 -21.294 1.00 83.18 ? 87 ASP B OD1 1 +ATOM 5020 O OD2 . ASP B 2 86 ? -27.899 -7.204 -20.749 1.00 107.05 ? 87 ASP B OD2 1 +ATOM 5021 N N . PRO B 2 87 ? -25.242 -10.409 -23.450 1.00 67.86 ? 88 PRO B N 1 +ATOM 5022 C CA . PRO B 2 87 ? -25.139 -11.853 -23.227 1.00 58.40 ? 88 PRO B CA 1 +ATOM 5023 C C . PRO B 2 87 ? -25.452 -12.269 -21.802 1.00 70.63 ? 88 PRO B C 1 +ATOM 5024 O O . PRO B 2 87 ? -25.483 -13.476 -21.520 1.00 75.74 ? 88 PRO B O 1 +ATOM 5025 C CB . PRO B 2 87 ? -23.673 -12.137 -23.573 1.00 57.76 ? 88 PRO B CB 1 +ATOM 5026 C CG . PRO B 2 87 ? -22.963 -10.877 -23.146 1.00 64.23 ? 88 PRO B CG 1 +ATOM 5027 C CD . PRO B 2 87 ? -23.932 -9.734 -23.372 1.00 52.93 ? 88 PRO B CD 1 +ATOM 5028 N N . GLY B 2 88 ? -25.687 -11.310 -20.898 1.00 59.34 ? 89 GLY B N 1 +ATOM 5029 C CA . GLY B 2 88 ? -25.764 -11.636 -19.490 1.00 58.69 ? 89 GLY B CA 1 +ATOM 5030 C C . GLY B 2 88 ? -24.388 -11.922 -18.910 1.00 54.02 ? 89 GLY B C 1 +ATOM 5031 O O . GLY B 2 88 ? -23.353 -11.523 -19.446 1.00 60.90 ? 89 GLY B O 1 +ATOM 5032 N N . PHE B 2 89 ? -24.378 -12.636 -17.793 1.00 57.65 ? 90 PHE B N 1 +ATOM 5033 C CA . PHE B 2 89 ? -23.095 -12.915 -17.168 1.00 60.27 ? 90 PHE B CA 1 +ATOM 5034 C C . PHE B 2 89 ? -22.257 -13.896 -17.991 1.00 64.02 ? 90 PHE B C 1 +ATOM 5035 O O . PHE B 2 89 ? -21.024 -13.799 -17.996 1.00 53.54 ? 90 PHE B O 1 +ATOM 5036 C CB . PHE B 2 89 ? -23.281 -13.456 -15.747 1.00 57.86 ? 90 PHE B CB 1 +ATOM 5037 C CG . PHE B 2 89 ? -21.983 -13.755 -15.072 1.00 54.86 ? 90 PHE B CG 1 +ATOM 5038 C CD1 . PHE B 2 89 ? -21.204 -12.725 -14.558 1.00 55.06 ? 90 PHE B CD1 1 +ATOM 5039 C CD2 . PHE B 2 89 ? -21.496 -15.042 -15.029 1.00 51.26 ? 90 PHE B CD2 1 +ATOM 5040 C CE1 . PHE B 2 89 ? -19.976 -12.987 -13.974 1.00 57.91 ? 90 PHE B CE1 1 +ATOM 5041 C CE2 . PHE B 2 89 ? -20.270 -15.309 -14.444 1.00 54.86 ? 90 PHE B CE2 1 +ATOM 5042 C CZ . PHE B 2 89 ? -19.511 -14.282 -13.917 1.00 49.73 ? 90 PHE B CZ 1 +ATOM 5043 N N . TRP B 2 90 ? -22.891 -14.831 -18.692 1.00 45.49 ? 91 TRP B N 1 +ATOM 5044 C CA . TRP B 2 90 ? -22.155 -15.903 -19.357 1.00 48.32 ? 91 TRP B CA 1 +ATOM 5045 C C . TRP B 2 90 ? -21.688 -15.479 -20.752 1.00 48.46 ? 91 TRP B C 1 +ATOM 5046 O O . TRP B 2 90 ? -21.994 -16.094 -21.772 1.00 56.48 ? 91 TRP B O 1 +ATOM 5047 C CB . TRP B 2 90 ? -22.998 -17.170 -19.396 1.00 50.53 ? 91 TRP B CB 1 +ATOM 5048 C CG . TRP B 2 90 ? -23.233 -17.712 -18.017 1.00 60.17 ? 91 TRP B CG 1 +ATOM 5049 C CD1 . TRP B 2 90 ? -24.432 -17.849 -17.385 1.00 60.45 ? 91 TRP B CD1 1 +ATOM 5050 C CD2 . TRP B 2 90 ? -22.239 -18.169 -17.092 1.00 50.97 ? 91 TRP B CD2 1 +ATOM 5051 N NE1 . TRP B 2 90 ? -24.251 -18.367 -16.127 1.00 56.65 ? 91 TRP B NE1 1 +ATOM 5052 C CE2 . TRP B 2 90 ? -22.916 -18.582 -15.922 1.00 59.21 ? 91 TRP B CE2 1 +ATOM 5053 C CE3 . TRP B 2 90 ? -20.850 -18.282 -17.142 1.00 50.63 ? 91 TRP B CE3 1 +ATOM 5054 C CZ2 . TRP B 2 90 ? -22.249 -19.099 -14.805 1.00 53.91 ? 91 TRP B CZ2 1 +ATOM 5055 C CZ3 . TRP B 2 90 ? -20.185 -18.798 -16.027 1.00 50.83 ? 91 TRP B CZ3 1 +ATOM 5056 C CH2 . TRP B 2 90 ? -20.889 -19.192 -14.873 1.00 55.87 ? 91 TRP B CH2 1 +ATOM 5057 N N . SER B 2 91 ? -20.921 -14.391 -20.766 1.00 52.89 ? 92 SER B N 1 +ATOM 5058 C CA . SER B 2 91 ? -20.152 -13.982 -21.928 1.00 47.33 ? 92 SER B CA 1 +ATOM 5059 C C . SER B 2 91 ? -18.837 -14.764 -21.972 1.00 49.08 ? 92 SER B C 1 +ATOM 5060 O O . SER B 2 91 ? -18.512 -15.540 -21.070 1.00 48.74 ? 92 SER B O 1 +ATOM 5061 C CB . SER B 2 91 ? -19.891 -12.486 -21.865 1.00 42.89 ? 92 SER B CB 1 +ATOM 5062 O OG . SER B 2 91 ? -19.003 -12.227 -20.802 1.00 48.95 ? 92 SER B OG 1 +ATOM 5063 N N . PHE B 2 92 ? -18.054 -14.561 -23.029 1.00 62.59 ? 93 PHE B N 1 +ATOM 5064 C CA . PHE B 2 92 ? -16.705 -15.118 -23.046 1.00 46.28 ? 93 PHE B CA 1 +ATOM 5065 C C . PHE B 2 92 ? -15.920 -14.675 -21.822 1.00 54.03 ? 93 PHE B C 1 +ATOM 5066 O O . PHE B 2 92 ? -15.183 -15.472 -21.235 1.00 45.40 ? 93 PHE B O 1 +ATOM 5067 C CB . PHE B 2 92 ? -15.975 -14.700 -24.320 1.00 46.25 ? 93 PHE B CB 1 +ATOM 5068 C CG . PHE B 2 92 ? -16.609 -15.217 -25.574 1.00 47.80 ? 93 PHE B CG 1 +ATOM 5069 C CD1 . PHE B 2 92 ? -16.634 -16.580 -25.844 1.00 57.30 ? 93 PHE B CD1 1 +ATOM 5070 C CD2 . PHE B 2 92 ? -17.178 -14.341 -26.493 1.00 58.93 ? 93 PHE B CD2 1 +ATOM 5071 C CE1 . PHE B 2 92 ? -17.225 -17.069 -27.023 1.00 55.74 ? 93 PHE B CE1 1 +ATOM 5072 C CE2 . PHE B 2 92 ? -17.768 -14.810 -27.662 1.00 51.99 ? 93 PHE B CE2 1 +ATOM 5073 C CZ . PHE B 2 92 ? -17.787 -16.183 -27.932 1.00 56.18 ? 93 PHE B CZ 1 +ATOM 5074 N N . GLU B 2 93 ? -16.078 -13.403 -21.421 1.00 44.70 ? 94 GLU B N 1 +ATOM 5075 C CA . GLU B 2 93 ? -15.376 -12.878 -20.250 1.00 52.50 ? 94 GLU B CA 1 +ATOM 5076 C C . GLU B 2 93 ? -15.888 -13.515 -18.968 1.00 50.88 ? 94 GLU B C 1 +ATOM 5077 O O . GLU B 2 93 ? -15.102 -13.837 -18.072 1.00 50.09 ? 94 GLU B O 1 +ATOM 5078 C CB . GLU B 2 93 ? -15.535 -11.348 -20.148 1.00 50.62 ? 94 GLU B CB 1 +ATOM 5079 C CG . GLU B 2 93 ? -15.026 -10.535 -21.344 1.00 51.15 ? 94 GLU B CG 1 +ATOM 5080 C CD . GLU B 2 93 ? -16.039 -10.396 -22.476 1.00 53.94 ? 94 GLU B CD 1 +ATOM 5081 O OE1 . GLU B 2 93 ? -17.223 -10.758 -22.304 1.00 56.06 ? 94 GLU B OE1 1 +ATOM 5082 O OE2 . GLU B 2 93 ? -15.635 -9.921 -23.556 1.00 57.08 ? 94 GLU B OE2 1 +ATOM 5083 N N . GLY B 2 94 ? -17.208 -13.679 -18.849 1.00 53.41 ? 95 GLY B N 1 +ATOM 5084 C CA . GLY B 2 94 ? -17.754 -14.287 -17.648 1.00 46.49 ? 95 GLY B CA 1 +ATOM 5085 C C . GLY B 2 94 ? -17.350 -15.741 -17.500 1.00 46.32 ? 95 GLY B C 1 +ATOM 5086 O O . GLY B 2 94 ? -17.131 -16.218 -16.389 1.00 47.97 ? 95 GLY B O 1 +ATOM 5087 N N . VAL B 2 95 ? -17.216 -16.456 -18.614 1.00 50.18 ? 96 VAL B N 1 +ATOM 5088 C CA . VAL B 2 95 ? -16.737 -17.831 -18.556 1.00 54.61 ? 96 VAL B CA 1 +ATOM 5089 C C . VAL B 2 95 ? -15.278 -17.876 -18.119 1.00 52.68 ? 96 VAL B C 1 +ATOM 5090 O O . VAL B 2 95 ? -14.897 -18.702 -17.280 1.00 50.97 ? 96 VAL B O 1 +ATOM 5091 C CB . VAL B 2 95 ? -16.935 -18.525 -19.912 1.00 50.52 ? 96 VAL B CB 1 +ATOM 5092 C CG1 . VAL B 2 95 ? -16.218 -19.868 -19.927 1.00 47.63 ? 96 VAL B CG1 1 +ATOM 5093 C CG2 . VAL B 2 95 ? -18.411 -18.659 -20.213 1.00 48.54 ? 96 VAL B CG2 1 +ATOM 5094 N N . ALA B 2 96 ? -14.436 -17.005 -18.686 1.00 51.61 ? 97 ALA B N 1 +ATOM 5095 C CA . ALA B 2 96 ? -13.034 -16.986 -18.278 1.00 50.90 ? 97 ALA B CA 1 +ATOM 5096 C C . ALA B 2 96 ? -12.904 -16.645 -16.799 1.00 52.77 ? 97 ALA B C 1 +ATOM 5097 O O . ALA B 2 96 ? -12.174 -17.313 -16.054 1.00 49.28 ? 97 ALA B O 1 +ATOM 5098 C CB . ALA B 2 96 ? -12.245 -15.992 -19.133 1.00 51.91 ? 97 ALA B CB 1 +ATOM 5099 N N . LEU B 2 97 ? -13.620 -15.610 -16.354 1.00 46.80 ? 98 LEU B N 1 +ATOM 5100 C CA . LEU B 2 97 ? -13.580 -15.223 -14.945 1.00 53.39 ? 98 LEU B CA 1 +ATOM 5101 C C . LEU B 2 97 ? -13.993 -16.388 -14.042 1.00 55.91 ? 98 LEU B C 1 +ATOM 5102 O O . LEU B 2 97 ? -13.300 -16.707 -13.070 1.00 48.14 ? 98 LEU B O 1 +ATOM 5103 C CB . LEU B 2 97 ? -14.465 -13.992 -14.720 1.00 52.44 ? 98 LEU B CB 1 +ATOM 5104 C CG . LEU B 2 97 ? -14.694 -13.533 -13.270 1.00 72.80 ? 98 LEU B CG 1 +ATOM 5105 C CD1 . LEU B 2 97 ? -13.387 -13.236 -12.552 1.00 56.03 ? 98 LEU B CD1 1 +ATOM 5106 C CD2 . LEU B 2 97 ? -15.605 -12.308 -13.219 1.00 68.69 ? 98 LEU B CD2 1 +ATOM 5107 N N . ALA B 2 98 ? -15.090 -17.074 -14.383 1.00 46.28 ? 99 ALA B N 1 +ATOM 5108 C CA . ALA B 2 98 ? -15.536 -18.192 -13.556 1.00 51.98 ? 99 ALA B CA 1 +ATOM 5109 C C . ALA B 2 98 ? -14.462 -19.277 -13.433 1.00 48.80 ? 99 ALA B C 1 +ATOM 5110 O O . ALA B 2 98 ? -14.303 -19.874 -12.363 1.00 48.82 ? 99 ALA B O 1 +ATOM 5111 C CB . ALA B 2 98 ? -16.840 -18.779 -14.109 1.00 46.85 ? 99 ALA B CB 1 +ATOM 5112 N N . HIS B 2 99 ? -13.710 -19.543 -14.506 1.00 46.22 ? 100 HIS B N 1 +ATOM 5113 C CA . HIS B 2 99 ? -12.675 -20.572 -14.435 1.00 43.47 ? 100 HIS B CA 1 +ATOM 5114 C C . HIS B 2 99 ? -11.495 -20.119 -13.581 1.00 51.81 ? 100 HIS B C 1 +ATOM 5115 O O . HIS B 2 99 ? -10.868 -20.948 -12.908 1.00 48.50 ? 100 HIS B O 1 +ATOM 5116 C CB . HIS B 2 99 ? -12.190 -20.969 -15.838 1.00 42.13 ? 100 HIS B CB 1 +ATOM 5117 C CG . HIS B 2 99 ? -13.077 -21.962 -16.549 1.00 48.47 ? 100 HIS B CG 1 +ATOM 5118 N ND1 . HIS B 2 99 ? -14.261 -21.606 -17.159 1.00 46.51 ? 100 HIS B ND1 1 +ATOM 5119 C CD2 . HIS B 2 99 ? -12.952 -23.302 -16.735 1.00 46.39 ? 100 HIS B CD2 1 +ATOM 5120 C CE1 . HIS B 2 99 ? -14.823 -22.680 -17.691 1.00 48.95 ? 100 HIS B CE1 1 +ATOM 5121 N NE2 . HIS B 2 99 ? -14.051 -23.725 -17.445 1.00 49.00 ? 100 HIS B NE2 1 +ATOM 5122 N N . ILE B 2 100 ? -11.182 -18.814 -13.600 1.00 48.56 ? 101 ILE B N 1 +ATOM 5123 C CA . ILE B 2 100 ? -10.126 -18.262 -12.752 1.00 50.72 ? 101 ILE B CA 1 +ATOM 5124 C C . ILE B 2 100 ? -10.515 -18.366 -11.283 1.00 54.19 ? 101 ILE B C 1 +ATOM 5125 O O . ILE B 2 100 ? -9.716 -18.794 -10.439 1.00 54.40 ? 101 ILE B O 1 +ATOM 5126 C CB . ILE B 2 100 ? -9.830 -16.801 -13.136 1.00 48.65 ? 101 ILE B CB 1 +ATOM 5127 C CG1 . ILE B 2 100 ? -9.253 -16.706 -14.559 1.00 50.38 ? 101 ILE B CG1 1 +ATOM 5128 C CG2 . ILE B 2 100 ? -8.936 -16.141 -12.078 1.00 42.45 ? 101 ILE B CG2 1 +ATOM 5129 C CD1 . ILE B 2 100 ? -7.984 -17.481 -14.760 1.00 56.10 ? 101 ILE B CD1 1 +ATOM 5130 N N . VAL B 2 101 ? -11.737 -17.942 -10.950 1.00 46.55 ? 102 VAL B N 1 +ATOM 5131 C CA . VAL B 2 101 ? -12.215 -18.064 -9.575 1.00 48.50 ? 102 VAL B CA 1 +ATOM 5132 C C . VAL B 2 101 ? -12.216 -19.526 -9.126 1.00 53.56 ? 102 VAL B C 1 +ATOM 5133 O O . VAL B 2 101 ? -11.742 -19.851 -8.033 1.00 46.47 ? 102 VAL B O 1 +ATOM 5134 C CB . VAL B 2 101 ? -13.605 -17.425 -9.424 1.00 56.80 ? 102 VAL B CB 1 +ATOM 5135 C CG1 . VAL B 2 101 ? -14.130 -17.664 -8.000 1.00 52.94 ? 102 VAL B CG1 1 +ATOM 5136 C CG2 . VAL B 2 101 ? -13.539 -15.954 -9.711 1.00 50.44 ? 102 VAL B CG2 1 +ATOM 5137 N N . LEU B 2 102 ? -12.754 -20.428 -9.958 1.00 45.25 ? 103 LEU B N 1 +ATOM 5138 C CA . LEU B 2 102 ? -12.736 -21.846 -9.599 1.00 55.53 ? 103 LEU B CA 1 +ATOM 5139 C C . LEU B 2 102 ? -11.316 -22.328 -9.345 1.00 51.48 ? 103 LEU B C 1 +ATOM 5140 O O . LEU B 2 102 ? -11.065 -23.061 -8.383 1.00 54.95 ? 103 LEU B O 1 +ATOM 5141 C CB . LEU B 2 102 ? -13.382 -22.682 -10.698 1.00 46.84 ? 103 LEU B CB 1 +ATOM 5142 C CG . LEU B 2 102 ? -13.358 -24.200 -10.523 1.00 52.86 ? 103 LEU B CG 1 +ATOM 5143 C CD1 . LEU B 2 102 ? -14.119 -24.609 -9.281 1.00 62.96 ? 103 LEU B CD1 1 +ATOM 5144 C CD2 . LEU B 2 102 ? -13.954 -24.876 -11.746 1.00 44.93 ? 103 LEU B CD2 1 +ATOM 5145 N N . SER B 2 103 ? -10.373 -21.898 -10.180 1.00 48.08 ? 104 SER B N 1 +ATOM 5146 C CA . SER B 2 103 ? -8.982 -22.291 -10.006 1.00 49.96 ? 104 SER B CA 1 +ATOM 5147 C C . SER B 2 103 ? -8.465 -21.917 -8.620 1.00 43.23 ? 104 SER B C 1 +ATOM 5148 O O . SER B 2 103 ? -7.782 -22.717 -7.969 1.00 46.22 ? 104 SER B O 1 +ATOM 5149 C CB . SER B 2 103 ? -8.122 -21.641 -11.098 1.00 47.27 ? 104 SER B CB 1 +ATOM 5150 O OG . SER B 2 103 ? -6.754 -21.916 -10.882 1.00 52.20 ? 104 SER B OG 1 +ATOM 5151 N N . GLY B 2 104 ? -8.794 -20.710 -8.150 1.00 44.21 ? 105 GLY B N 1 +ATOM 5152 C CA . GLY B 2 104 ? -8.306 -20.262 -6.854 1.00 48.05 ? 105 GLY B CA 1 +ATOM 5153 C C . GLY B 2 104 ? -8.943 -20.995 -5.684 1.00 54.06 ? 105 GLY B C 1 +ATOM 5154 O O . GLY B 2 104 ? -8.273 -21.283 -4.685 1.00 45.54 ? 105 GLY B O 1 +ATOM 5155 N N . LEU B 2 105 ? -10.239 -21.317 -5.796 1.00 50.97 ? 106 LEU B N 1 +ATOM 5156 C CA . LEU B 2 105 ? -10.907 -22.110 -4.761 1.00 49.87 ? 106 LEU B CA 1 +ATOM 5157 C C . LEU B 2 105 ? -10.300 -23.501 -4.656 1.00 49.06 ? 106 LEU B C 1 +ATOM 5158 O O . LEU B 2 105 ? -10.101 -24.013 -3.550 1.00 52.83 ? 106 LEU B O 1 +ATOM 5159 C CB . LEU B 2 105 ? -12.410 -22.204 -5.041 1.00 49.83 ? 106 LEU B CB 1 +ATOM 5160 C CG . LEU B 2 105 ? -13.186 -20.881 -4.942 1.00 63.80 ? 106 LEU B CG 1 +ATOM 5161 C CD1 . LEU B 2 105 ? -14.661 -21.042 -5.288 1.00 59.91 ? 106 LEU B CD1 1 +ATOM 5162 C CD2 . LEU B 2 105 ? -13.021 -20.289 -3.569 1.00 56.02 ? 106 LEU B CD2 1 +ATOM 5163 N N . LEU B 2 106 ? -10.015 -24.134 -5.799 1.00 51.87 ? 107 LEU B N 1 +ATOM 5164 C CA . LEU B 2 106 ? -9.436 -25.469 -5.786 1.00 45.42 ? 107 LEU B CA 1 +ATOM 5165 C C . LEU B 2 106 ? -8.031 -25.453 -5.210 1.00 49.35 ? 107 LEU B C 1 +ATOM 5166 O O . LEU B 2 106 ? -7.611 -26.429 -4.581 1.00 55.81 ? 107 LEU B O 1 +ATOM 5167 C CB . LEU B 2 106 ? -9.425 -26.054 -7.205 1.00 45.61 ? 107 LEU B CB 1 +ATOM 5168 C CG . LEU B 2 106 ? -10.790 -26.267 -7.873 1.00 51.99 ? 107 LEU B CG 1 +ATOM 5169 C CD1 . LEU B 2 106 ? -10.623 -26.656 -9.348 1.00 52.87 ? 107 LEU B CD1 1 +ATOM 5170 C CD2 . LEU B 2 106 ? -11.585 -27.329 -7.139 1.00 52.69 ? 107 LEU B CD2 1 +ATOM 5171 N N . PHE B 2 107 ? -7.285 -24.368 -5.444 1.00 52.32 ? 108 PHE B N 1 +ATOM 5172 C CA . PHE B 2 107 ? -5.967 -24.214 -4.839 1.00 46.75 ? 108 PHE B CA 1 +ATOM 5173 C C . PHE B 2 107 ? -6.065 -24.179 -3.318 1.00 46.85 ? 108 PHE B C 1 +ATOM 5174 O O . PHE B 2 107 ? -5.267 -24.819 -2.618 1.00 54.73 ? 108 PHE B O 1 +ATOM 5175 C CB . PHE B 2 107 ? -5.308 -22.938 -5.375 1.00 45.96 ? 108 PHE B CB 1 +ATOM 5176 C CG . PHE B 2 107 ? -3.999 -22.597 -4.718 1.00 47.32 ? 108 PHE B CG 1 +ATOM 5177 C CD1 . PHE B 2 107 ? -3.954 -21.790 -3.605 1.00 47.86 ? 108 PHE B CD1 1 +ATOM 5178 C CD2 . PHE B 2 107 ? -2.804 -23.058 -5.255 1.00 63.49 ? 108 PHE B CD2 1 +ATOM 5179 C CE1 . PHE B 2 107 ? -2.748 -21.486 -2.997 1.00 57.55 ? 108 PHE B CE1 1 +ATOM 5180 C CE2 . PHE B 2 107 ? -1.591 -22.746 -4.658 1.00 53.11 ? 108 PHE B CE2 1 +ATOM 5181 C CZ . PHE B 2 107 ? -1.567 -21.962 -3.532 1.00 55.35 ? 108 PHE B CZ 1 +ATOM 5182 N N . LEU B 2 108 ? -7.029 -23.423 -2.783 1.00 47.36 ? 109 LEU B N 1 +ATOM 5183 C CA . LEU B 2 108 ? -7.202 -23.365 -1.335 1.00 46.36 ? 109 LEU B CA 1 +ATOM 5184 C C . LEU B 2 108 ? -7.608 -24.724 -0.775 1.00 58.98 ? 109 LEU B C 1 +ATOM 5185 O O . LEU B 2 108 ? -7.061 -25.173 0.244 1.00 51.44 ? 109 LEU B O 1 +ATOM 5186 C CB . LEU B 2 108 ? -8.230 -22.296 -0.971 1.00 57.10 ? 109 LEU B CB 1 +ATOM 5187 C CG . LEU B 2 108 ? -7.805 -20.838 -1.218 1.00 63.07 ? 109 LEU B CG 1 +ATOM 5188 C CD1 . LEU B 2 108 ? -8.914 -19.866 -0.849 1.00 50.82 ? 109 LEU B CD1 1 +ATOM 5189 C CD2 . LEU B 2 108 ? -6.516 -20.502 -0.472 1.00 64.14 ? 109 LEU B CD2 1 +ATOM 5190 N N . ALA B 2 109 ? -8.544 -25.406 -1.448 1.00 48.20 ? 110 ALA B N 1 +ATOM 5191 C CA . ALA B 2 109 ? -8.929 -26.754 -1.038 1.00 52.09 ? 110 ALA B CA 1 +ATOM 5192 C C . ALA B 2 109 ? -7.727 -27.691 -1.027 1.00 53.05 ? 110 ALA B C 1 +ATOM 5193 O O . ALA B 2 109 ? -7.571 -28.497 -0.106 1.00 49.91 ? 110 ALA B O 1 +ATOM 5194 C CB . ALA B 2 109 ? -10.014 -27.299 -1.974 1.00 49.87 ? 110 ALA B CB 1 +ATOM 5195 N N . ALA B 2 110 ? -6.875 -27.613 -2.059 1.00 44.26 ? 111 ALA B N 1 +ATOM 5196 C CA . ALA B 2 110 ? -5.685 -28.457 -2.102 1.00 43.91 ? 111 ALA B CA 1 +ATOM 5197 C C . ALA B 2 110 ? -4.804 -28.262 -0.866 1.00 47.50 ? 111 ALA B C 1 +ATOM 5198 O O . ALA B 2 110 ? -4.252 -29.236 -0.335 1.00 48.30 ? 111 ALA B O 1 +ATOM 5199 C CB . ALA B 2 110 ? -4.895 -28.175 -3.380 1.00 47.63 ? 111 ALA B CB 1 +ATOM 5200 N N . CYS B 2 111 ? -4.657 -27.012 -0.395 1.00 45.53 ? 112 CYS B N 1 +ATOM 5201 C CA . CYS B 2 111 ? -3.813 -26.757 0.770 1.00 51.60 ? 112 CYS B CA 1 +ATOM 5202 C C . CYS B 2 111 ? -4.395 -27.416 2.016 1.00 59.27 ? 112 CYS B C 1 +ATOM 5203 O O . CYS B 2 111 ? -3.669 -28.049 2.793 1.00 50.93 ? 112 CYS B O 1 +ATOM 5204 C CB . CYS B 2 111 ? -3.643 -25.254 1.008 1.00 48.08 ? 112 CYS B CB 1 +ATOM 5205 S SG . CYS B 2 111 ? -2.790 -24.323 -0.273 1.00 52.98 ? 112 CYS B SG 1 +ATOM 5206 N N . TRP B 2 112 ? -5.710 -27.279 2.213 1.00 42.36 ? 113 TRP B N 1 +ATOM 5207 C CA . TRP B 2 112 ? -6.369 -27.903 3.345 1.00 49.96 ? 113 TRP B CA 1 +ATOM 5208 C C . TRP B 2 112 ? -6.166 -29.417 3.331 1.00 59.89 ? 113 TRP B C 1 +ATOM 5209 O O . TRP B 2 112 ? -5.806 -30.022 4.360 1.00 50.29 ? 113 TRP B O 1 +ATOM 5210 C CB . TRP B 2 112 ? -7.857 -27.549 3.342 1.00 52.68 ? 113 TRP B CB 1 +ATOM 5211 C CG . TRP B 2 112 ? -8.513 -27.933 4.644 1.00 56.32 ? 113 TRP B CG 1 +ATOM 5212 C CD1 . TRP B 2 112 ? -8.648 -27.151 5.747 1.00 56.18 ? 113 TRP B CD1 1 +ATOM 5213 C CD2 . TRP B 2 112 ? -9.079 -29.211 4.983 1.00 48.98 ? 113 TRP B CD2 1 +ATOM 5214 N NE1 . TRP B 2 112 ? -9.283 -27.847 6.748 1.00 52.12 ? 113 TRP B NE1 1 +ATOM 5215 C CE2 . TRP B 2 112 ? -9.563 -29.113 6.305 1.00 59.08 ? 113 TRP B CE2 1 +ATOM 5216 C CE3 . TRP B 2 112 ? -9.246 -30.415 4.291 1.00 46.61 ? 113 TRP B CE3 1 +ATOM 5217 C CZ2 . TRP B 2 112 ? -10.198 -30.180 6.955 1.00 53.67 ? 113 TRP B CZ2 1 +ATOM 5218 C CZ3 . TRP B 2 112 ? -9.890 -31.478 4.935 1.00 50.93 ? 113 TRP B CZ3 1 +ATOM 5219 C CH2 . TRP B 2 112 ? -10.351 -31.350 6.252 1.00 56.86 ? 113 TRP B CH2 1 +ATOM 5220 N N . HIS B 2 113 ? -6.383 -30.048 2.171 1.00 46.99 ? 114 HIS B N 1 +ATOM 5221 C CA . HIS B 2 113 ? -6.251 -31.499 2.105 1.00 50.44 ? 114 HIS B CA 1 +ATOM 5222 C C . HIS B 2 113 ? -4.797 -31.958 2.211 1.00 51.39 ? 114 HIS B C 1 +ATOM 5223 O O . HIS B 2 113 ? -4.554 -33.083 2.661 1.00 50.73 ? 114 HIS B O 1 +ATOM 5224 C CB . HIS B 2 113 ? -6.933 -32.046 0.843 1.00 43.30 ? 114 HIS B CB 1 +ATOM 5225 C CG . HIS B 2 113 ? -8.403 -32.301 1.022 1.00 55.22 ? 114 HIS B CG 1 +ATOM 5226 N ND1 . HIS B 2 113 ? -8.891 -33.371 1.744 1.00 50.51 ? 114 HIS B ND1 1 +ATOM 5227 C CD2 . HIS B 2 113 ? -9.492 -31.613 0.594 1.00 47.28 ? 114 HIS B CD2 1 +ATOM 5228 C CE1 . HIS B 2 113 ? -10.215 -33.339 1.741 1.00 58.83 ? 114 HIS B CE1 1 +ATOM 5229 N NE2 . HIS B 2 113 ? -10.607 -32.281 1.051 1.00 52.52 ? 114 HIS B NE2 1 +ATOM 5230 N N . TRP B 2 114 ? -3.826 -31.104 1.872 1.00 53.72 ? 115 TRP B N 1 +ATOM 5231 C CA . TRP B 2 114 ? -2.420 -31.460 2.076 1.00 48.73 ? 115 TRP B CA 1 +ATOM 5232 C C . TRP B 2 114 ? -2.044 -31.450 3.556 1.00 54.77 ? 115 TRP B C 1 +ATOM 5233 O O . TRP B 2 114 ? -1.313 -32.329 4.026 1.00 52.52 ? 115 TRP B O 1 +ATOM 5234 C CB . TRP B 2 114 ? -1.515 -30.492 1.314 1.00 49.27 ? 115 TRP B CB 1 +ATOM 5235 C CG . TRP B 2 114 ? -0.063 -30.838 1.402 1.00 49.92 ? 115 TRP B CG 1 +ATOM 5236 C CD1 . TRP B 2 114 ? 0.857 -30.311 2.258 1.00 46.34 ? 115 TRP B CD1 1 +ATOM 5237 C CD2 . TRP B 2 114 ? 0.641 -31.787 0.588 1.00 42.80 ? 115 TRP B CD2 1 +ATOM 5238 N NE1 . TRP B 2 114 ? 2.088 -30.879 2.035 1.00 49.72 ? 115 TRP B NE1 1 +ATOM 5239 C CE2 . TRP B 2 114 ? 1.985 -31.778 1.008 1.00 52.71 ? 115 TRP B CE2 1 +ATOM 5240 C CE3 . TRP B 2 114 ? 0.265 -32.628 -0.467 1.00 45.86 ? 115 TRP B CE3 1 +ATOM 5241 C CZ2 . TRP B 2 114 ? 2.958 -32.583 0.415 1.00 50.70 ? 115 TRP B CZ2 1 +ATOM 5242 C CZ3 . TRP B 2 114 ? 1.229 -33.442 -1.048 1.00 45.95 ? 115 TRP B CZ3 1 +ATOM 5243 C CH2 . TRP B 2 114 ? 2.562 -33.409 -0.603 1.00 49.77 ? 115 TRP B CH2 1 +ATOM 5244 N N . VAL B 2 115 ? -2.497 -30.435 4.291 1.00 47.75 ? 116 VAL B N 1 +ATOM 5245 C CA . VAL B 2 115 ? -2.161 -30.323 5.703 1.00 50.10 ? 116 VAL B CA 1 +ATOM 5246 C C . VAL B 2 115 ? -2.943 -31.347 6.523 1.00 57.60 ? 116 VAL B C 1 +ATOM 5247 O O . VAL B 2 115 ? -2.372 -32.082 7.332 1.00 51.22 ? 116 VAL B O 1 +ATOM 5248 C CB . VAL B 2 115 ? -2.411 -28.886 6.178 1.00 59.38 ? 116 VAL B CB 1 +ATOM 5249 C CG1 . VAL B 2 115 ? -2.251 -28.793 7.700 1.00 55.77 ? 116 VAL B CG1 1 +ATOM 5250 C CG2 . VAL B 2 115 ? -1.467 -27.906 5.433 1.00 48.13 ? 116 VAL B CG2 1 +ATOM 5251 N N . TYR B 2 116 ? -4.248 -31.438 6.303 1.00 54.21 ? 117 TYR B N 1 +ATOM 5252 C CA . TYR B 2 116 ? -5.094 -32.350 7.066 1.00 45.37 ? 117 TYR B CA 1 +ATOM 5253 C C . TYR B 2 116 ? -5.266 -33.665 6.313 1.00 54.69 ? 117 TYR B C 1 +ATOM 5254 O O . TYR B 2 116 ? -6.357 -34.077 5.923 1.00 52.77 ? 117 TYR B O 1 +ATOM 5255 C CB . TYR B 2 116 ? -6.432 -31.691 7.369 1.00 66.58 ? 117 TYR B CB 1 +ATOM 5256 C CG . TYR B 2 116 ? -6.275 -30.481 8.243 1.00 52.73 ? 117 TYR B CG 1 +ATOM 5257 C CD1 . TYR B 2 116 ? -5.853 -30.612 9.572 1.00 58.69 ? 117 TYR B CD1 1 +ATOM 5258 C CD2 . TYR B 2 116 ? -6.517 -29.200 7.743 1.00 58.07 ? 117 TYR B CD2 1 +ATOM 5259 C CE1 . TYR B 2 116 ? -5.693 -29.490 10.387 1.00 58.76 ? 117 TYR B CE1 1 +ATOM 5260 C CE2 . TYR B 2 116 ? -6.365 -28.073 8.544 1.00 47.58 ? 117 TYR B CE2 1 +ATOM 5261 C CZ . TYR B 2 116 ? -5.956 -28.229 9.864 1.00 65.55 ? 117 TYR B CZ 1 +ATOM 5262 O OH . TYR B 2 116 ? -5.799 -27.127 10.660 1.00 73.91 ? 117 TYR B OH 1 +ATOM 5263 N N . TRP B 2 117 ? -4.130 -34.324 6.112 1.00 46.45 ? 118 TRP B N 1 +ATOM 5264 C CA . TRP B 2 117 ? -4.110 -35.537 5.318 1.00 51.05 ? 118 TRP B CA 1 +ATOM 5265 C C . TRP B 2 117 ? -4.632 -36.738 6.102 1.00 50.50 ? 118 TRP B C 1 +ATOM 5266 O O . TRP B 2 117 ? -5.155 -37.674 5.500 1.00 52.15 ? 118 TRP B O 1 +ATOM 5267 C CB . TRP B 2 117 ? -2.686 -35.797 4.820 1.00 45.48 ? 118 TRP B CB 1 +ATOM 5268 C CG . TRP B 2 117 ? -1.727 -35.931 5.941 1.00 48.49 ? 118 TRP B CG 1 +ATOM 5269 C CD1 . TRP B 2 117 ? -1.017 -34.940 6.524 1.00 52.51 ? 118 TRP B CD1 1 +ATOM 5270 C CD2 . TRP B 2 117 ? -1.407 -37.135 6.655 1.00 53.39 ? 118 TRP B CD2 1 +ATOM 5271 N NE1 . TRP B 2 117 ? -0.253 -35.445 7.553 1.00 61.64 ? 118 TRP B NE1 1 +ATOM 5272 C CE2 . TRP B 2 117 ? -0.477 -36.791 7.654 1.00 50.84 ? 118 TRP B CE2 1 +ATOM 5273 C CE3 . TRP B 2 117 ? -1.806 -38.475 6.532 1.00 50.39 ? 118 TRP B CE3 1 +ATOM 5274 C CZ2 . TRP B 2 117 ? 0.060 -37.733 8.540 1.00 60.30 ? 118 TRP B CZ2 1 +ATOM 5275 C CZ3 . TRP B 2 117 ? -1.266 -39.410 7.406 1.00 63.90 ? 118 TRP B CZ3 1 +ATOM 5276 C CH2 . TRP B 2 117 ? -0.346 -39.033 8.400 1.00 59.58 ? 118 TRP B CH2 1 +ATOM 5277 N N . ASP B 2 118 ? -4.515 -36.726 7.428 1.00 55.40 ? 119 ASP B N 1 +ATOM 5278 C CA . ASP B 2 118 ? -4.792 -37.914 8.237 1.00 57.01 ? 119 ASP B CA 1 +ATOM 5279 C C . ASP B 2 118 ? -6.243 -37.886 8.724 1.00 62.71 ? 119 ASP B C 1 +ATOM 5280 O O . ASP B 2 118 ? -6.537 -37.732 9.909 1.00 60.62 ? 119 ASP B O 1 +ATOM 5281 C CB . ASP B 2 118 ? -3.810 -38.000 9.401 1.00 57.33 ? 119 ASP B CB 1 +ATOM 5282 C CG . ASP B 2 118 ? -3.751 -39.409 10.020 1.00 86.46 ? 119 ASP B CG 1 +ATOM 5283 O OD1 . ASP B 2 118 ? -4.173 -40.387 9.360 1.00 69.03 ? 119 ASP B OD1 1 +ATOM 5284 O OD2 . ASP B 2 118 ? -3.296 -39.542 11.183 1.00 92.41 ? 119 ASP B OD2 1 +ATOM 5285 N N . LEU B 2 119 ? -7.165 -38.040 7.774 1.00 56.29 ? 120 LEU B N 1 +ATOM 5286 C CA . LEU B 2 119 ? -8.586 -38.080 8.093 1.00 59.72 ? 120 LEU B CA 1 +ATOM 5287 C C . LEU B 2 119 ? -9.034 -39.518 8.330 1.00 65.80 ? 120 LEU B C 1 +ATOM 5288 O O . LEU B 2 119 ? -8.617 -40.445 7.620 1.00 55.53 ? 120 LEU B O 1 +ATOM 5289 C CB . LEU B 2 119 ? -9.428 -37.443 6.984 1.00 50.73 ? 120 LEU B CB 1 +ATOM 5290 C CG . LEU B 2 119 ? -9.227 -35.944 6.686 1.00 57.07 ? 120 LEU B CG 1 +ATOM 5291 C CD1 . LEU B 2 119 ? -10.205 -35.424 5.615 1.00 50.93 ? 120 LEU B CD1 1 +ATOM 5292 C CD2 . LEU B 2 119 ? -9.331 -35.094 7.949 1.00 58.00 ? 120 LEU B CD2 1 +ATOM 5293 N N . GLU B 2 120 ? -9.890 -39.685 9.343 1.00 61.55 ? 121 GLU B N 1 +ATOM 5294 C CA . GLU B 2 120 ? -10.363 -41.008 9.741 1.00 61.61 ? 121 GLU B CA 1 +ATOM 5295 C C . GLU B 2 120 ? -11.073 -41.705 8.590 1.00 58.93 ? 121 GLU B C 1 +ATOM 5296 O O . GLU B 2 120 ? -10.965 -42.925 8.432 1.00 58.42 ? 121 GLU B O 1 +ATOM 5297 C CB . GLU B 2 120 ? -11.294 -40.868 10.953 1.00 71.86 ? 121 GLU B CB 1 +ATOM 5298 C CG . GLU B 2 120 ? -12.150 -42.083 11.231 1.00 75.54 ? 121 GLU B CG 1 +ATOM 5299 C CD . GLU B 2 120 ? -11.319 -43.223 11.743 1.00 105.69 ? 121 GLU B CD 1 +ATOM 5300 O OE1 . GLU B 2 120 ? -10.253 -42.915 12.332 1.00 93.88 ? 121 GLU B OE1 1 +ATOM 5301 O OE2 . GLU B 2 120 ? -11.709 -44.408 11.551 1.00 120.16 ? 121 GLU B OE2 1 +ATOM 5302 N N . LEU B 2 121 ? -11.787 -40.928 7.765 1.00 59.61 ? 122 LEU B N 1 +ATOM 5303 C CA . LEU B 2 121 ? -12.449 -41.438 6.565 1.00 58.47 ? 122 LEU B CA 1 +ATOM 5304 C C . LEU B 2 121 ? -11.530 -42.258 5.673 1.00 54.55 ? 122 LEU B C 1 +ATOM 5305 O O . LEU B 2 121 ? -11.998 -43.173 4.976 1.00 58.83 ? 122 LEU B O 1 +ATOM 5306 C CB . LEU B 2 121 ? -13.022 -40.265 5.763 1.00 59.15 ? 122 LEU B CB 1 +ATOM 5307 C CG . LEU B 2 121 ? -13.767 -40.632 4.489 1.00 62.06 ? 122 LEU B CG 1 +ATOM 5308 C CD1 . LEU B 2 121 ? -14.982 -41.526 4.794 1.00 56.43 ? 122 LEU B CD1 1 +ATOM 5309 C CD2 . LEU B 2 121 ? -14.158 -39.370 3.723 1.00 51.43 ? 122 LEU B CD2 1 +ATOM 5310 N N . PHE B 2 122 ? -10.230 -41.967 5.663 1.00 54.69 ? 123 PHE B N 1 +ATOM 5311 C CA . PHE B 2 122 ? -9.346 -42.717 4.765 1.00 60.77 ? 123 PHE B CA 1 +ATOM 5312 C C . PHE B 2 122 ? -8.814 -44.015 5.382 1.00 58.70 ? 123 PHE B C 1 +ATOM 5313 O O . PHE B 2 122 ? -8.105 -44.765 4.699 1.00 62.81 ? 123 PHE B O 1 +ATOM 5314 C CB . PHE B 2 122 ? -8.183 -41.826 4.306 1.00 59.12 ? 123 PHE B CB 1 +ATOM 5315 C CG . PHE B 2 122 ? -8.629 -40.498 3.700 1.00 58.05 ? 123 PHE B CG 1 +ATOM 5316 C CD1 . PHE B 2 122 ? -9.685 -40.447 2.801 1.00 52.33 ? 123 PHE B CD1 1 +ATOM 5317 C CD2 . PHE B 2 122 ? -7.998 -39.312 4.055 1.00 50.11 ? 123 PHE B CD2 1 +ATOM 5318 C CE1 . PHE B 2 122 ? -10.094 -39.237 2.252 1.00 54.37 ? 123 PHE B CE1 1 +ATOM 5319 C CE2 . PHE B 2 122 ? -8.412 -38.097 3.525 1.00 58.92 ? 123 PHE B CE2 1 +ATOM 5320 C CZ . PHE B 2 122 ? -9.455 -38.063 2.607 1.00 53.42 ? 123 PHE B CZ 1 +ATOM 5321 N N . ARG B 2 123 ? -9.150 -44.309 6.638 1.00 61.77 ? 124 ARG B N 1 +ATOM 5322 C CA . ARG B 2 123 ? -8.678 -45.498 7.338 1.00 61.71 ? 124 ARG B CA 1 +ATOM 5323 C C . ARG B 2 123 ? -9.717 -46.601 7.259 1.00 55.60 ? 124 ARG B C 1 +ATOM 5324 O O . ARG B 2 123 ? -10.915 -46.347 7.414 1.00 63.18 ? 124 ARG B O 1 +ATOM 5325 C CB . ARG B 2 123 ? -8.397 -45.193 8.807 1.00 57.29 ? 124 ARG B CB 1 +ATOM 5326 C CG . ARG B 2 123 ? -7.410 -44.078 9.024 1.00 72.44 ? 124 ARG B CG 1 +ATOM 5327 C CD . ARG B 2 123 ? -6.049 -44.492 8.535 1.00 71.94 ? 124 ARG B CD 1 +ATOM 5328 N NE . ARG B 2 123 ? -5.039 -43.521 8.924 1.00 87.05 ? 124 ARG B NE 1 +ATOM 5329 C CZ . ARG B 2 123 ? -3.852 -43.836 9.416 1.00 84.03 ? 124 ARG B CZ 1 +ATOM 5330 N NH1 . ARG B 2 123 ? -3.527 -45.092 9.678 1.00 85.24 ? 124 ARG B NH1 1 +ATOM 5331 N NH2 . ARG B 2 123 ? -2.971 -42.868 9.658 1.00 87.42 ? 124 ARG B NH2 1 +ATOM 5332 N N . ASP B 2 124 ? -9.257 -47.823 7.024 1.00 59.78 ? 125 ASP B N 1 +ATOM 5333 C CA . ASP B 2 124 ? -10.148 -48.980 7.114 1.00 55.64 ? 125 ASP B CA 1 +ATOM 5334 C C . ASP B 2 124 ? -10.640 -49.135 8.554 1.00 58.32 ? 125 ASP B C 1 +ATOM 5335 O O . ASP B 2 124 ? -9.823 -49.172 9.483 1.00 55.91 ? 125 ASP B O 1 +ATOM 5336 C CB . ASP B 2 124 ? -9.439 -50.245 6.657 1.00 63.20 ? 125 ASP B CB 1 +ATOM 5337 C CG . ASP B 2 124 ? -10.364 -51.467 6.643 1.00 67.39 ? 125 ASP B CG 1 +ATOM 5338 O OD1 . ASP B 2 124 ? -10.773 -51.945 7.721 1.00 78.51 ? 125 ASP B OD1 1 +ATOM 5339 O OD2 . ASP B 2 124 ? -10.691 -51.947 5.549 1.00 71.56 ? 125 ASP B OD2 1 +ATOM 5340 N N . PRO B 2 125 ? -11.951 -49.201 8.782 1.00 65.14 ? 126 PRO B N 1 +ATOM 5341 C CA . PRO B 2 125 ? -12.461 -49.279 10.171 1.00 65.79 ? 126 PRO B CA 1 +ATOM 5342 C C . PRO B 2 125 ? -12.018 -50.527 10.932 1.00 64.86 ? 126 PRO B C 1 +ATOM 5343 O O . PRO B 2 125 ? -11.952 -50.490 12.166 1.00 64.04 ? 126 PRO B O 1 +ATOM 5344 C CB . PRO B 2 125 ? -13.986 -49.258 9.996 1.00 67.23 ? 126 PRO B CB 1 +ATOM 5345 C CG . PRO B 2 125 ? -14.224 -48.763 8.574 1.00 88.50 ? 126 PRO B CG 1 +ATOM 5346 C CD . PRO B 2 125 ? -13.021 -49.160 7.769 1.00 59.59 ? 126 PRO B CD 1 +ATOM 5347 N N . ARG B 2 126 ? -11.701 -51.623 10.233 1.00 61.01 ? 127 ARG B N 1 +ATOM 5348 C CA . ARG B 2 126 ? -11.304 -52.858 10.899 1.00 62.69 ? 127 ARG B CA 1 +ATOM 5349 C C . ARG B 2 126 ? -9.811 -52.886 11.206 1.00 76.68 ? 127 ARG B C 1 +ATOM 5350 O O . ARG B 2 126 ? -9.412 -53.203 12.331 1.00 82.53 ? 127 ARG B O 1 +ATOM 5351 C CB . ARG B 2 126 ? -11.704 -54.051 10.044 1.00 62.92 ? 127 ARG B CB 1 +ATOM 5352 C CG . ARG B 2 126 ? -13.193 -54.056 9.730 1.00 75.52 ? 127 ARG B CG 1 +ATOM 5353 C CD . ARG B 2 126 ? -13.604 -55.234 8.867 1.00 82.78 ? 127 ARG B CD 1 +ATOM 5354 N NE . ARG B 2 126 ? -13.001 -55.193 7.535 1.00 120.13 ? 127 ARG B NE 1 +ATOM 5355 C CZ . ARG B 2 126 ? -13.340 -54.331 6.582 1.00 100.40 ? 127 ARG B CZ 1 +ATOM 5356 N NH1 . ARG B 2 126 ? -14.240 -53.383 6.799 1.00 116.72 ? 127 ARG B NH1 1 +ATOM 5357 N NH2 . ARG B 2 126 ? -12.755 -54.414 5.386 1.00 82.13 ? 127 ARG B NH2 1 +ATOM 5358 N N . THR B 2 127 ? -8.970 -52.535 10.233 1.00 71.11 ? 128 THR B N 1 +ATOM 5359 C CA . THR B 2 127 ? -7.525 -52.612 10.407 1.00 57.84 ? 128 THR B CA 1 +ATOM 5360 C C . THR B 2 127 ? -6.872 -51.288 10.789 1.00 65.06 ? 128 THR B C 1 +ATOM 5361 O O . THR B 2 127 ? -5.746 -51.300 11.299 1.00 65.94 ? 128 THR B O 1 +ATOM 5362 C CB . THR B 2 127 ? -6.868 -53.112 9.128 1.00 67.61 ? 128 THR B CB 1 +ATOM 5363 O OG1 . THR B 2 127 ? -7.005 -52.112 8.108 1.00 64.06 ? 128 THR B OG1 1 +ATOM 5364 C CG2 . THR B 2 127 ? -7.538 -54.396 8.673 1.00 60.37 ? 128 THR B CG2 1 +ATOM 5365 N N . GLY B 2 128 ? -7.523 -50.154 10.541 1.00 63.20 ? 129 GLY B N 1 +ATOM 5366 C CA . GLY B 2 128 ? -6.892 -48.865 10.765 1.00 57.07 ? 129 GLY B CA 1 +ATOM 5367 C C . GLY B 2 128 ? -5.883 -48.446 9.712 1.00 64.93 ? 129 GLY B C 1 +ATOM 5368 O O . GLY B 2 128 ? -5.246 -47.401 9.871 1.00 61.53 ? 129 GLY B O 1 +ATOM 5369 N N . GLU B 2 129 ? -5.711 -49.225 8.656 1.00 63.40 ? 130 GLU B N 1 +ATOM 5370 C CA . GLU B 2 129 ? -4.787 -48.892 7.589 1.00 68.40 ? 130 GLU B CA 1 +ATOM 5371 C C . GLU B 2 129 ? -5.450 -47.968 6.564 1.00 75.28 ? 130 GLU B C 1 +ATOM 5372 O O . GLU B 2 129 ? -6.679 -47.961 6.434 1.00 59.27 ? 130 GLU B O 1 +ATOM 5373 C CB . GLU B 2 129 ? -4.315 -50.165 6.906 1.00 60.39 ? 130 GLU B CB 1 +ATOM 5374 C CG . GLU B 2 129 ? -3.384 -50.966 7.775 1.00 85.44 ? 130 GLU B CG 1 +ATOM 5375 C CD . GLU B 2 129 ? -2.074 -50.239 8.005 1.00 103.01 ? 130 GLU B CD 1 +ATOM 5376 O OE1 . GLU B 2 129 ? -1.372 -49.937 7.009 1.00 106.59 ? 130 GLU B OE1 1 +ATOM 5377 O OE2 . GLU B 2 129 ? -1.753 -49.952 9.178 1.00 116.95 ? 130 GLU B OE2 1 +ATOM 5378 N N . PRO B 2 130 ? -4.661 -47.173 5.835 1.00 69.35 ? 131 PRO B N 1 +ATOM 5379 C CA . PRO B 2 130 ? -5.237 -46.386 4.739 1.00 59.46 ? 131 PRO B CA 1 +ATOM 5380 C C . PRO B 2 130 ? -5.807 -47.328 3.695 1.00 61.28 ? 131 PRO B C 1 +ATOM 5381 O O . PRO B 2 130 ? -5.170 -48.309 3.314 1.00 54.81 ? 131 PRO B O 1 +ATOM 5382 C CB . PRO B 2 130 ? -4.042 -45.592 4.191 1.00 61.29 ? 131 PRO B CB 1 +ATOM 5383 C CG . PRO B 2 130 ? -2.983 -45.673 5.243 1.00 73.03 ? 131 PRO B CG 1 +ATOM 5384 C CD . PRO B 2 130 ? -3.203 -46.990 5.935 1.00 66.95 ? 131 PRO B CD 1 +ATOM 5385 N N . ALA B 2 131 ? -7.019 -47.032 3.244 1.00 50.52 ? 132 ALA B N 1 +ATOM 5386 C CA . ALA B 2 131 ? -7.708 -47.951 2.358 1.00 48.45 ? 132 ALA B CA 1 +ATOM 5387 C C . ALA B 2 131 ? -8.812 -47.203 1.642 1.00 54.66 ? 132 ALA B C 1 +ATOM 5388 O O . ALA B 2 131 ? -9.520 -46.392 2.252 1.00 59.33 ? 132 ALA B O 1 +ATOM 5389 C CB . ALA B 2 131 ? -8.293 -49.147 3.121 1.00 55.07 ? 132 ALA B CB 1 +ATOM 5390 N N . LEU B 2 132 ? -8.939 -47.474 0.344 1.00 57.13 ? 133 LEU B N 1 +ATOM 5391 C CA . LEU B 2 132 ? -10.011 -46.937 -0.480 1.00 61.48 ? 133 LEU B CA 1 +ATOM 5392 C C . LEU B 2 132 ? -10.759 -48.116 -1.072 1.00 53.33 ? 133 LEU B C 1 +ATOM 5393 O O . LEU B 2 132 ? -10.147 -48.999 -1.684 1.00 58.60 ? 133 LEU B O 1 +ATOM 5394 C CB . LEU B 2 132 ? -9.481 -46.025 -1.599 1.00 55.12 ? 133 LEU B CB 1 +ATOM 5395 C CG . LEU B 2 132 ? -8.837 -44.706 -1.171 1.00 63.24 ? 133 LEU B CG 1 +ATOM 5396 C CD1 . LEU B 2 132 ? -8.060 -44.092 -2.331 1.00 57.55 ? 133 LEU B CD1 1 +ATOM 5397 C CD2 . LEU B 2 132 ? -9.873 -43.718 -0.605 1.00 50.77 ? 133 LEU B CD2 1 +ATOM 5398 N N . ASP B 2 133 ? -12.075 -48.139 -0.876 1.00 58.75 ? 134 ASP B N 1 +ATOM 5399 C CA . ASP B 2 133 ? -12.911 -49.200 -1.431 1.00 58.02 ? 134 ASP B CA 1 +ATOM 5400 C C . ASP B 2 133 ? -13.234 -48.814 -2.876 1.00 61.35 ? 134 ASP B C 1 +ATOM 5401 O O . ASP B 2 133 ? -14.284 -48.239 -3.191 1.00 56.76 ? 134 ASP B O 1 +ATOM 5402 C CB . ASP B 2 133 ? -14.159 -49.404 -0.579 1.00 57.15 ? 134 ASP B CB 1 +ATOM 5403 C CG . ASP B 2 133 ? -15.028 -50.521 -1.105 1.00 62.04 ? 134 ASP B CG 1 +ATOM 5404 O OD1 . ASP B 2 133 ? -14.473 -51.407 -1.789 1.00 52.41 ? 134 ASP B OD1 1 +ATOM 5405 O OD2 . ASP B 2 133 ? -16.252 -50.497 -0.865 1.00 58.61 ? 134 ASP B OD2 1 +ATOM 5406 N N . LEU B 2 134 ? -12.293 -49.135 -3.770 1.00 50.62 ? 135 LEU B N 1 +ATOM 5407 C CA . LEU B 2 134 ? -12.402 -48.677 -5.155 1.00 49.94 ? 135 LEU B CA 1 +ATOM 5408 C C . LEU B 2 134 ? -13.646 -49.183 -5.863 1.00 50.77 ? 135 LEU B C 1 +ATOM 5409 O O . LEU B 2 134 ? -14.200 -48.423 -6.679 1.00 54.73 ? 135 LEU B O 1 +ATOM 5410 C CB . LEU B 2 134 ? -11.146 -49.074 -5.956 1.00 45.46 ? 135 LEU B CB 1 +ATOM 5411 C CG . LEU B 2 134 ? -9.833 -48.545 -5.371 1.00 51.01 ? 135 LEU B CG 1 +ATOM 5412 C CD1 . LEU B 2 134 ? -8.657 -49.287 -5.964 1.00 53.25 ? 135 LEU B CD1 1 +ATOM 5413 C CD2 . LEU B 2 134 ? -9.714 -47.009 -5.556 1.00 49.09 ? 135 LEU B CD2 1 +ATOM 5414 N N . PRO B 2 135 ? -14.108 -50.430 -5.658 1.00 50.56 ? 136 PRO B N 1 +ATOM 5415 C CA . PRO B 2 135 ? -15.328 -50.866 -6.360 1.00 52.16 ? 136 PRO B CA 1 +ATOM 5416 C C . PRO B 2 135 ? -16.549 -50.030 -6.038 1.00 53.81 ? 136 PRO B C 1 +ATOM 5417 O O . PRO B 2 135 ? -17.362 -49.770 -6.934 1.00 52.40 ? 136 PRO B O 1 +ATOM 5418 C CB . PRO B 2 135 ? -15.482 -52.317 -5.896 1.00 53.36 ? 136 PRO B CB 1 +ATOM 5419 C CG . PRO B 2 135 ? -14.066 -52.759 -5.724 1.00 53.67 ? 136 PRO B CG 1 +ATOM 5420 C CD . PRO B 2 135 ? -13.399 -51.579 -5.066 1.00 48.13 ? 136 PRO B CD 1 +ATOM 5421 N N . LYS B 2 136 ? -16.700 -49.582 -4.794 1.00 49.90 ? 137 LYS B N 1 +ATOM 5422 C CA . LYS B 2 136 ? -17.856 -48.754 -4.466 1.00 64.47 ? 137 LYS B CA 1 +ATOM 5423 C C . LYS B 2 136 ? -17.645 -47.305 -4.892 1.00 51.62 ? 137 LYS B C 1 +ATOM 5424 O O . LYS B 2 136 ? -18.603 -46.625 -5.278 1.00 56.46 ? 137 LYS B O 1 +ATOM 5425 C CB . LYS B 2 136 ? -18.170 -48.831 -2.961 1.00 54.24 ? 137 LYS B CB 1 +ATOM 5426 C CG . LYS B 2 136 ? -19.472 -48.106 -2.614 1.00 52.68 ? 137 LYS B CG 1 +ATOM 5427 C CD . LYS B 2 136 ? -19.821 -48.162 -1.158 1.00 66.21 ? 137 LYS B CD 1 +ATOM 5428 C CE . LYS B 2 136 ? -20.009 -49.603 -0.658 1.00 65.03 ? 137 LYS B CE 1 +ATOM 5429 N NZ . LYS B 2 136 ? -20.000 -49.544 0.848 1.00 66.20 ? 137 LYS B NZ 1 +ATOM 5430 N N . MET B 2 137 ? -16.405 -46.810 -4.798 1.00 57.80 ? 138 MET B N 1 +ATOM 5431 C CA . MET B 2 137 ? -16.090 -45.490 -5.346 1.00 54.47 ? 138 MET B CA 1 +ATOM 5432 C C . MET B 2 137 ? -16.465 -45.416 -6.814 1.00 53.54 ? 138 MET B C 1 +ATOM 5433 O O . MET B 2 137 ? -17.012 -44.407 -7.282 1.00 54.75 ? 138 MET B O 1 +ATOM 5434 C CB . MET B 2 137 ? -14.604 -45.166 -5.183 1.00 51.68 ? 138 MET B CB 1 +ATOM 5435 C CG . MET B 2 137 ? -14.162 -44.897 -3.757 1.00 56.14 ? 138 MET B CG 1 +ATOM 5436 S SD . MET B 2 137 ? -12.364 -44.838 -3.582 1.00 62.53 ? 138 MET B SD 1 +ATOM 5437 C CE . MET B 2 137 ? -11.964 -43.734 -4.962 1.00 51.15 ? 138 MET B CE 1 +ATOM 5438 N N . PHE B 2 138 ? -16.184 -46.481 -7.557 1.00 48.06 ? 139 PHE B N 1 +ATOM 5439 C CA . PHE B 2 138 ? -16.502 -46.465 -8.975 1.00 53.65 ? 139 PHE B CA 1 +ATOM 5440 C C . PHE B 2 138 ? -18.000 -46.308 -9.209 1.00 55.73 ? 139 PHE B C 1 +ATOM 5441 O O . PHE B 2 138 ? -18.423 -45.569 -10.113 1.00 55.13 ? 139 PHE B O 1 +ATOM 5442 C CB . PHE B 2 138 ? -15.994 -47.737 -9.653 1.00 48.22 ? 139 PHE B CB 1 +ATOM 5443 C CG . PHE B 2 138 ? -16.413 -47.831 -11.080 1.00 61.21 ? 139 PHE B CG 1 +ATOM 5444 C CD1 . PHE B 2 138 ? -15.934 -46.903 -12.008 1.00 54.27 ? 139 PHE B CD1 1 +ATOM 5445 C CD2 . PHE B 2 138 ? -17.332 -48.782 -11.493 1.00 45.58 ? 139 PHE B CD2 1 +ATOM 5446 C CE1 . PHE B 2 138 ? -16.332 -46.965 -13.331 1.00 52.56 ? 139 PHE B CE1 1 +ATOM 5447 C CE2 . PHE B 2 138 ? -17.739 -48.842 -12.810 1.00 53.54 ? 139 PHE B CE2 1 +ATOM 5448 C CZ . PHE B 2 138 ? -17.240 -47.932 -13.732 1.00 55.62 ? 139 PHE B CZ 1 +ATOM 5449 N N . GLY B 2 139 ? -18.819 -47.017 -8.429 1.00 57.20 ? 140 GLY B N 1 +ATOM 5450 C CA . GLY B 2 139 ? -20.256 -46.914 -8.614 1.00 51.19 ? 140 GLY B CA 1 +ATOM 5451 C C . GLY B 2 139 ? -20.788 -45.552 -8.225 1.00 49.53 ? 140 GLY B C 1 +ATOM 5452 O O . GLY B 2 139 ? -21.703 -45.028 -8.866 1.00 56.91 ? 140 GLY B O 1 +ATOM 5453 N N . ILE B 2 140 ? -20.219 -44.957 -7.175 1.00 48.33 ? 141 ILE B N 1 +ATOM 5454 C CA . ILE B 2 140 ? -20.599 -43.601 -6.789 1.00 49.41 ? 141 ILE B CA 1 +ATOM 5455 C C . ILE B 2 140 ? -20.242 -42.617 -7.896 1.00 56.21 ? 141 ILE B C 1 +ATOM 5456 O O . ILE B 2 140 ? -21.057 -41.772 -8.293 1.00 55.13 ? 141 ILE B O 1 +ATOM 5457 C CB . ILE B 2 140 ? -19.924 -43.208 -5.463 1.00 52.89 ? 141 ILE B CB 1 +ATOM 5458 C CG1 . ILE B 2 140 ? -20.507 -44.001 -4.288 1.00 56.56 ? 141 ILE B CG1 1 +ATOM 5459 C CG2 . ILE B 2 140 ? -20.035 -41.677 -5.233 1.00 50.60 ? 141 ILE B CG2 1 +ATOM 5460 C CD1 . ILE B 2 140 ? -19.759 -43.783 -2.991 1.00 51.03 ? 141 ILE B CD1 1 +ATOM 5461 N N . HIS B 2 141 ? -19.014 -42.711 -8.415 1.00 54.53 ? 142 HIS B N 1 +ATOM 5462 C CA . HIS B 2 141 ? -18.579 -41.759 -9.436 1.00 57.52 ? 142 HIS B CA 1 +ATOM 5463 C C . HIS B 2 141 ? -19.299 -41.999 -10.759 1.00 56.61 ? 142 HIS B C 1 +ATOM 5464 O O . HIS B 2 141 ? -19.667 -41.040 -11.445 1.00 59.74 ? 142 HIS B O 1 +ATOM 5465 C CB . HIS B 2 141 ? -17.056 -41.820 -9.588 1.00 48.35 ? 142 HIS B CB 1 +ATOM 5466 C CG . HIS B 2 141 ? -16.320 -41.276 -8.393 1.00 53.95 ? 142 HIS B CG 1 +ATOM 5467 N ND1 . HIS B 2 141 ? -15.004 -41.578 -8.121 1.00 47.14 ? 142 HIS B ND1 1 +ATOM 5468 C CD2 . HIS B 2 141 ? -16.741 -40.486 -7.373 1.00 47.45 ? 142 HIS B CD2 1 +ATOM 5469 C CE1 . HIS B 2 141 ? -14.639 -40.978 -7.000 1.00 53.74 ? 142 HIS B CE1 1 +ATOM 5470 N NE2 . HIS B 2 141 ? -15.674 -40.306 -6.525 1.00 50.40 ? 142 HIS B NE2 1 +ATOM 5471 N N . LEU B 2 142 ? -19.551 -43.266 -11.114 1.00 57.95 ? 143 LEU B N 1 +ATOM 5472 C CA . LEU B 2 142 ? -20.342 -43.559 -12.309 1.00 55.64 ? 143 LEU B CA 1 +ATOM 5473 C C . LEU B 2 142 ? -21.764 -43.033 -12.174 1.00 54.38 ? 143 LEU B C 1 +ATOM 5474 O O . LEU B 2 142 ? -22.313 -42.464 -13.122 1.00 58.17 ? 143 LEU B O 1 +ATOM 5475 C CB . LEU B 2 142 ? -20.352 -45.064 -12.573 1.00 51.78 ? 143 LEU B CB 1 +ATOM 5476 C CG . LEU B 2 142 ? -21.001 -45.587 -13.867 1.00 55.76 ? 143 LEU B CG 1 +ATOM 5477 C CD1 . LEU B 2 142 ? -20.300 -45.063 -15.119 1.00 52.51 ? 143 LEU B CD1 1 +ATOM 5478 C CD2 . LEU B 2 142 ? -20.985 -47.113 -13.863 1.00 49.48 ? 143 LEU B CD2 1 +ATOM 5479 N N . PHE B 2 143 ? -22.376 -43.210 -11.000 1.00 52.46 ? 144 PHE B N 1 +ATOM 5480 C CA . PHE B 2 143 ? -23.714 -42.674 -10.770 1.00 55.61 ? 144 PHE B CA 1 +ATOM 5481 C C . PHE B 2 143 ? -23.757 -41.159 -11.002 1.00 57.70 ? 144 PHE B C 1 +ATOM 5482 O O . PHE B 2 143 ? -24.662 -40.652 -11.676 1.00 61.79 ? 144 PHE B O 1 +ATOM 5483 C CB . PHE B 2 143 ? -24.173 -43.031 -9.351 1.00 60.39 ? 144 PHE B CB 1 +ATOM 5484 C CG . PHE B 2 143 ? -25.518 -42.484 -8.998 1.00 56.44 ? 144 PHE B CG 1 +ATOM 5485 C CD1 . PHE B 2 143 ? -26.671 -43.128 -9.412 1.00 65.25 ? 144 PHE B CD1 1 +ATOM 5486 C CD2 . PHE B 2 143 ? -25.630 -41.333 -8.251 1.00 60.66 ? 144 PHE B CD2 1 +ATOM 5487 C CE1 . PHE B 2 143 ? -27.912 -42.634 -9.093 1.00 59.56 ? 144 PHE B CE1 1 +ATOM 5488 C CE2 . PHE B 2 143 ? -26.874 -40.836 -7.923 1.00 73.28 ? 144 PHE B CE2 1 +ATOM 5489 C CZ . PHE B 2 143 ? -28.016 -41.490 -8.356 1.00 75.08 ? 144 PHE B CZ 1 +ATOM 5490 N N . LEU B 2 144 ? -22.778 -40.421 -10.458 1.00 53.91 ? 145 LEU B N 1 +ATOM 5491 C CA . LEU B 2 144 ? -22.728 -38.972 -10.666 1.00 55.18 ? 145 LEU B CA 1 +ATOM 5492 C C . LEU B 2 144 ? -22.493 -38.619 -12.128 1.00 54.45 ? 145 LEU B C 1 +ATOM 5493 O O . LEU B 2 144 ? -23.090 -37.665 -12.648 1.00 52.77 ? 145 LEU B O 1 +ATOM 5494 C CB . LEU B 2 144 ? -21.637 -38.346 -9.794 1.00 63.15 ? 145 LEU B CB 1 +ATOM 5495 C CG . LEU B 2 144 ? -21.849 -38.425 -8.288 1.00 66.66 ? 145 LEU B CG 1 +ATOM 5496 C CD1 . LEU B 2 144 ? -20.527 -38.224 -7.579 1.00 76.04 ? 145 LEU B CD1 1 +ATOM 5497 C CD2 . LEU B 2 144 ? -22.864 -37.378 -7.839 1.00 77.50 ? 145 LEU B CD2 1 +ATOM 5498 N N . ALA B 2 145 ? -21.606 -39.357 -12.798 1.00 46.74 ? 146 ALA B N 1 +ATOM 5499 C CA . ALA B 2 145 ? -21.367 -39.128 -14.218 1.00 52.56 ? 146 ALA B CA 1 +ATOM 5500 C C . ALA B 2 145 ? -22.638 -39.344 -15.032 1.00 56.92 ? 146 ALA B C 1 +ATOM 5501 O O . ALA B 2 145 ? -22.921 -38.581 -15.958 1.00 56.13 ? 146 ALA B O 1 +ATOM 5502 C CB . ALA B 2 145 ? -20.247 -40.046 -14.714 1.00 45.05 ? 146 ALA B CB 1 +ATOM 5503 N N . GLY B 2 146 ? -23.412 -40.386 -14.701 1.00 56.72 ? 147 GLY B N 1 +ATOM 5504 C CA . GLY B 2 146 ? -24.671 -40.617 -15.393 1.00 50.59 ? 147 GLY B CA 1 +ATOM 5505 C C . GLY B 2 146 ? -25.665 -39.485 -15.189 1.00 54.22 ? 147 GLY B C 1 +ATOM 5506 O O . GLY B 2 146 ? -26.301 -39.025 -16.137 1.00 59.53 ? 147 GLY B O 1 +ATOM 5507 N N A LEU B 2 147 ? -25.830 -39.036 -13.943 0.50 54.90 ? 148 LEU B N 1 +ATOM 5508 N N B LEU B 2 147 ? -25.812 -39.023 -13.942 0.50 54.91 ? 148 LEU B N 1 +ATOM 5509 C CA A LEU B 2 147 ? -26.737 -37.918 -13.703 0.50 55.58 ? 148 LEU B CA 1 +ATOM 5510 C CA B LEU B 2 147 ? -26.704 -37.901 -13.657 0.50 55.58 ? 148 LEU B CA 1 +ATOM 5511 C C A LEU B 2 147 ? -26.317 -36.689 -14.498 0.50 65.95 ? 148 LEU B C 1 +ATOM 5512 C C B LEU B 2 147 ? -26.307 -36.670 -14.461 0.50 65.93 ? 148 LEU B C 1 +ATOM 5513 O O A LEU B 2 147 ? -27.159 -35.993 -15.081 0.50 58.37 ? 148 LEU B O 1 +ATOM 5514 O O B LEU B 2 147 ? -27.153 -35.985 -15.049 0.50 58.38 ? 148 LEU B O 1 +ATOM 5515 C CB A LEU B 2 147 ? -26.780 -37.580 -12.215 0.50 57.99 ? 148 LEU B CB 1 +ATOM 5516 C CB B LEU B 2 147 ? -26.667 -37.582 -12.166 0.50 58.03 ? 148 LEU B CB 1 +ATOM 5517 C CG A LEU B 2 147 ? -27.373 -38.593 -11.238 0.50 62.32 ? 148 LEU B CG 1 +ATOM 5518 C CG B LEU B 2 147 ? -27.960 -37.592 -11.356 0.50 66.59 ? 148 LEU B CG 1 +ATOM 5519 C CD1 A LEU B 2 147 ? -27.098 -38.118 -9.834 0.50 65.81 ? 148 LEU B CD1 1 +ATOM 5520 C CD1 B LEU B 2 147 ? -27.696 -36.970 -9.985 0.50 68.96 ? 148 LEU B CD1 1 +ATOM 5521 C CD2 A LEU B 2 147 ? -28.870 -38.737 -11.468 0.50 49.96 ? 148 LEU B CD2 1 +ATOM 5522 C CD2 B LEU B 2 147 ? -29.073 -36.867 -12.077 0.50 53.32 ? 148 LEU B CD2 1 +ATOM 5523 N N . LEU B 2 148 ? -25.012 -36.377 -14.494 1.00 57.07 ? 149 LEU B N 1 +ATOM 5524 C CA . LEU B 2 148 ? -24.531 -35.202 -15.205 1.00 61.23 ? 149 LEU B CA 1 +ATOM 5525 C C . LEU B 2 148 ? -24.690 -35.371 -16.706 1.00 56.79 ? 149 LEU B C 1 +ATOM 5526 O O . LEU B 2 148 ? -25.110 -34.440 -17.407 1.00 56.13 ? 149 LEU B O 1 +ATOM 5527 C CB . LEU B 2 148 ? -23.070 -34.941 -14.837 1.00 62.02 ? 149 LEU B CB 1 +ATOM 5528 C CG . LEU B 2 148 ? -22.677 -33.471 -14.804 1.00 77.92 ? 149 LEU B CG 1 +ATOM 5529 C CD1 . LEU B 2 148 ? -23.493 -32.758 -13.745 1.00 91.45 ? 149 LEU B CD1 1 +ATOM 5530 C CD2 . LEU B 2 148 ? -21.198 -33.346 -14.519 1.00 86.89 ? 149 LEU B CD2 1 +ATOM 5531 N N . CYS B 2 149 ? -24.360 -36.559 -17.210 1.00 53.69 ? 150 CYS B N 1 +ATOM 5532 C CA . CYS B 2 149 ? -24.538 -36.857 -18.627 1.00 56.73 ? 150 CYS B CA 1 +ATOM 5533 C C . CYS B 2 149 ? -25.994 -36.668 -19.040 1.00 54.97 ? 150 CYS B C 1 +ATOM 5534 O O . CYS B 2 149 ? -26.289 -35.972 -20.013 1.00 68.25 ? 150 CYS B O 1 +ATOM 5535 C CB . CYS B 2 149 ? -24.058 -38.284 -18.891 1.00 50.04 ? 150 CYS B CB 1 +ATOM 5536 S SG . CYS B 2 149 ? -24.067 -38.835 -20.610 1.00 52.53 ? 150 CYS B SG 1 +ATOM 5537 N N . PHE B 2 150 ? -26.919 -37.242 -18.269 1.00 67.07 ? 151 PHE B N 1 +ATOM 5538 C CA . PHE B 2 150 ? -28.344 -37.117 -18.555 1.00 54.77 ? 151 PHE B CA 1 +ATOM 5539 C C . PHE B 2 150 ? -28.805 -35.662 -18.506 1.00 54.45 ? 151 PHE B C 1 +ATOM 5540 O O . PHE B 2 150 ? -29.585 -35.213 -19.357 1.00 50.96 ? 151 PHE B O 1 +ATOM 5541 C CB . PHE B 2 150 ? -29.145 -37.966 -17.558 1.00 59.36 ? 151 PHE B CB 1 +ATOM 5542 C CG . PHE B 2 150 ? -30.618 -37.716 -17.619 1.00 54.35 ? 151 PHE B CG 1 +ATOM 5543 C CD1 . PHE B 2 150 ? -31.403 -38.362 -18.557 1.00 55.63 ? 151 PHE B CD1 1 +ATOM 5544 C CD2 . PHE B 2 150 ? -31.214 -36.796 -16.764 1.00 57.74 ? 151 PHE B CD2 1 +ATOM 5545 C CE1 . PHE B 2 150 ? -32.752 -38.116 -18.634 1.00 63.74 ? 151 PHE B CE1 1 +ATOM 5546 C CE2 . PHE B 2 150 ? -32.572 -36.537 -16.844 1.00 63.85 ? 151 PHE B CE2 1 +ATOM 5547 C CZ . PHE B 2 150 ? -33.340 -37.196 -17.777 1.00 58.68 ? 151 PHE B CZ 1 +ATOM 5548 N N . GLY B 2 151 ? -28.379 -34.919 -17.485 1.00 53.97 ? 152 GLY B N 1 +ATOM 5549 C CA . GLY B 2 151 ? -28.814 -33.536 -17.378 1.00 59.49 ? 152 GLY B CA 1 +ATOM 5550 C C . GLY B 2 151 ? -28.270 -32.653 -18.485 1.00 60.34 ? 152 GLY B C 1 +ATOM 5551 O O . GLY B 2 151 ? -28.951 -31.728 -18.945 1.00 61.00 ? 152 GLY B O 1 +ATOM 5552 N N . PHE B 2 152 ? -27.041 -32.920 -18.928 1.00 59.98 ? 153 PHE B N 1 +ATOM 5553 C CA . PHE B 2 152 ? -26.481 -32.175 -20.048 1.00 60.13 ? 153 PHE B CA 1 +ATOM 5554 C C . PHE B 2 152 ? -27.342 -32.349 -21.300 1.00 59.64 ? 153 PHE B C 1 +ATOM 5555 O O . PHE B 2 152 ? -27.724 -31.367 -21.946 1.00 57.76 ? 153 PHE B O 1 +ATOM 5556 C CB . PHE B 2 152 ? -25.033 -32.623 -20.285 1.00 54.22 ? 153 PHE B CB 1 +ATOM 5557 C CG . PHE B 2 152 ? -24.394 -32.007 -21.498 1.00 55.36 ? 153 PHE B CG 1 +ATOM 5558 C CD1 . PHE B 2 152 ? -24.199 -30.630 -21.578 1.00 55.17 ? 153 PHE B CD1 1 +ATOM 5559 C CD2 . PHE B 2 152 ? -23.990 -32.801 -22.560 1.00 51.15 ? 153 PHE B CD2 1 +ATOM 5560 C CE1 . PHE B 2 152 ? -23.614 -30.058 -22.699 1.00 51.65 ? 153 PHE B CE1 1 +ATOM 5561 C CE2 . PHE B 2 152 ? -23.400 -32.228 -23.686 1.00 55.06 ? 153 PHE B CE2 1 +ATOM 5562 C CZ . PHE B 2 152 ? -23.216 -30.866 -23.757 1.00 50.67 ? 153 PHE B CZ 1 +ATOM 5563 N N . GLY B 2 153 ? -27.688 -33.595 -21.632 1.00 55.40 ? 154 GLY B N 1 +ATOM 5564 C CA . GLY B 2 153 ? -28.500 -33.838 -22.816 1.00 60.48 ? 154 GLY B CA 1 +ATOM 5565 C C . GLY B 2 153 ? -29.946 -33.405 -22.655 1.00 55.32 ? 154 GLY B C 1 +ATOM 5566 O O . GLY B 2 153 ? -30.529 -32.817 -23.568 1.00 58.35 ? 154 GLY B O 1 +ATOM 5567 N N . ALA B 2 154 ? -30.540 -33.668 -21.491 1.00 60.97 ? 155 ALA B N 1 +ATOM 5568 C CA . ALA B 2 154 ? -31.970 -33.434 -21.326 1.00 52.19 ? 155 ALA B CA 1 +ATOM 5569 C C . ALA B 2 154 ? -32.289 -31.951 -21.201 1.00 61.51 ? 155 ALA B C 1 +ATOM 5570 O O . ALA B 2 154 ? -33.325 -31.492 -21.698 1.00 61.64 ? 155 ALA B O 1 +ATOM 5571 C CB . ALA B 2 154 ? -32.492 -34.196 -20.110 1.00 52.88 ? 155 ALA B CB 1 +ATOM 5572 N N . PHE B 2 155 ? -31.424 -31.181 -20.547 1.00 54.75 ? 156 PHE B N 1 +ATOM 5573 C CA . PHE B 2 155 ? -31.721 -29.777 -20.289 1.00 62.99 ? 156 PHE B CA 1 +ATOM 5574 C C . PHE B 2 155 ? -30.888 -28.802 -21.111 1.00 69.11 ? 156 PHE B C 1 +ATOM 5575 O O . PHE B 2 155 ? -31.433 -27.821 -21.630 1.00 60.77 ? 156 PHE B O 1 +ATOM 5576 C CB . PHE B 2 155 ? -31.535 -29.471 -18.802 1.00 56.95 ? 156 PHE B CB 1 +ATOM 5577 C CG . PHE B 2 155 ? -32.402 -30.293 -17.912 1.00 57.80 ? 156 PHE B CG 1 +ATOM 5578 C CD1 . PHE B 2 155 ? -33.753 -30.016 -17.802 1.00 68.80 ? 156 PHE B CD1 1 +ATOM 5579 C CD2 . PHE B 2 155 ? -31.873 -31.349 -17.190 1.00 66.97 ? 156 PHE B CD2 1 +ATOM 5580 C CE1 . PHE B 2 155 ? -34.561 -30.777 -16.973 1.00 81.35 ? 156 PHE B CE1 1 +ATOM 5581 C CE2 . PHE B 2 155 ? -32.676 -32.110 -16.368 1.00 72.17 ? 156 PHE B CE2 1 +ATOM 5582 C CZ . PHE B 2 155 ? -34.021 -31.826 -16.261 1.00 66.32 ? 156 PHE B CZ 1 +ATOM 5583 N N . HIS B 2 156 ? -29.578 -29.027 -21.238 1.00 58.99 ? 157 HIS B N 1 +ATOM 5584 C CA . HIS B 2 156 ? -28.741 -28.044 -21.917 1.00 57.74 ? 157 HIS B CA 1 +ATOM 5585 C C . HIS B 2 156 ? -28.915 -28.132 -23.427 1.00 50.09 ? 157 HIS B C 1 +ATOM 5586 O O . HIS B 2 156 ? -29.204 -27.127 -24.088 1.00 57.33 ? 157 HIS B O 1 +ATOM 5587 C CB . HIS B 2 156 ? -27.271 -28.227 -21.515 1.00 58.83 ? 157 HIS B CB 1 +ATOM 5588 C CG . HIS B 2 156 ? -26.337 -27.229 -22.138 1.00 56.86 ? 157 HIS B CG 1 +ATOM 5589 N ND1 . HIS B 2 156 ? -25.592 -26.331 -21.392 1.00 52.98 ? 157 HIS B ND1 1 +ATOM 5590 C CD2 . HIS B 2 156 ? -26.035 -26.985 -23.439 1.00 47.78 ? 157 HIS B CD2 1 +ATOM 5591 C CE1 . HIS B 2 156 ? -24.872 -25.585 -22.215 1.00 57.64 ? 157 HIS B CE1 1 +ATOM 5592 N NE2 . HIS B 2 156 ? -25.122 -25.962 -23.459 1.00 50.30 ? 157 HIS B NE2 1 +ATOM 5593 N N . LEU B 2 157 ? -28.764 -29.331 -23.983 1.00 48.66 ? 158 LEU B N 1 +ATOM 5594 C CA . LEU B 2 157 ? -28.773 -29.475 -25.431 1.00 53.63 ? 158 LEU B CA 1 +ATOM 5595 C C . LEU B 2 157 ? -30.163 -29.276 -26.019 1.00 63.72 ? 158 LEU B C 1 +ATOM 5596 O O . LEU B 2 157 ? -30.286 -28.781 -27.143 1.00 62.14 ? 158 LEU B O 1 +ATOM 5597 C CB . LEU B 2 157 ? -28.211 -30.841 -25.823 1.00 55.03 ? 158 LEU B CB 1 +ATOM 5598 C CG . LEU B 2 157 ? -26.744 -31.072 -25.435 1.00 61.91 ? 158 LEU B CG 1 +ATOM 5599 C CD1 . LEU B 2 157 ? -26.338 -32.516 -25.713 1.00 51.21 ? 158 LEU B CD1 1 +ATOM 5600 C CD2 . LEU B 2 157 ? -25.797 -30.069 -26.150 1.00 56.74 ? 158 LEU B CD2 1 +ATOM 5601 N N . THR B 2 158 ? -31.216 -29.631 -25.282 1.00 56.45 ? 159 THR B N 1 +ATOM 5602 C CA . THR B 2 158 ? -32.564 -29.498 -25.821 1.00 55.27 ? 159 THR B CA 1 +ATOM 5603 C C . THR B 2 158 ? -33.078 -28.072 -25.783 1.00 56.74 ? 159 THR B C 1 +ATOM 5604 O O . THR B 2 158 ? -34.061 -27.770 -26.464 1.00 62.70 ? 159 THR B O 1 +ATOM 5605 C CB . THR B 2 158 ? -33.556 -30.368 -25.046 1.00 55.39 ? 159 THR B CB 1 +ATOM 5606 O OG1 . THR B 2 158 ? -33.630 -29.905 -23.691 1.00 54.99 ? 159 THR B OG1 1 +ATOM 5607 C CG2 . THR B 2 158 ? -33.145 -31.840 -25.081 1.00 48.22 ? 159 THR B CG2 1 +ATOM 5608 N N . GLY B 2 159 ? -32.464 -27.199 -24.991 1.00 55.47 ? 160 GLY B N 1 +ATOM 5609 C CA . GLY B 2 159 ? -33.047 -25.901 -24.725 1.00 49.89 ? 160 GLY B CA 1 +ATOM 5610 C C . GLY B 2 159 ? -34.134 -25.896 -23.672 1.00 53.62 ? 160 GLY B C 1 +ATOM 5611 O O . GLY B 2 159 ? -34.704 -24.833 -23.409 1.00 65.66 ? 160 GLY B O 1 +ATOM 5612 N N . LEU B 2 160 ? -34.441 -27.047 -23.064 1.00 52.13 ? 161 LEU B N 1 +ATOM 5613 C CA . LEU B 2 160 ? -35.439 -27.095 -22.001 1.00 63.24 ? 161 LEU B CA 1 +ATOM 5614 C C . LEU B 2 160 ? -35.064 -26.157 -20.872 1.00 62.65 ? 161 LEU B C 1 +ATOM 5615 O O . LEU B 2 160 ? -35.892 -25.386 -20.381 1.00 76.51 ? 161 LEU B O 1 +ATOM 5616 C CB . LEU B 2 160 ? -35.574 -28.517 -21.458 1.00 68.94 ? 161 LEU B CB 1 +ATOM 5617 C CG . LEU B 2 160 ? -36.870 -29.269 -21.718 1.00 82.59 ? 161 LEU B CG 1 +ATOM 5618 C CD1 . LEU B 2 160 ? -36.959 -29.594 -23.194 1.00 90.33 ? 161 LEU B CD1 1 +ATOM 5619 C CD2 . LEU B 2 160 ? -36.924 -30.533 -20.863 1.00 89.81 ? 161 LEU B CD2 1 +ATOM 5620 N N . PHE B 2 161 ? -33.811 -26.228 -20.436 1.00 63.54 ? 162 PHE B N 1 +ATOM 5621 C CA . PHE B 2 161 ? -33.279 -25.324 -19.428 1.00 67.49 ? 162 PHE B CA 1 +ATOM 5622 C C . PHE B 2 161 ? -31.797 -25.113 -19.775 1.00 58.39 ? 162 PHE B C 1 +ATOM 5623 O O . PHE B 2 161 ? -30.903 -25.712 -19.180 1.00 63.68 ? 162 PHE B O 1 +ATOM 5624 C CB . PHE B 2 161 ? -33.480 -25.880 -18.017 1.00 59.78 ? 162 PHE B CB 1 +ATOM 5625 C CG . PHE B 2 161 ? -32.997 -24.970 -16.941 1.00 59.02 ? 162 PHE B CG 1 +ATOM 5626 C CD1 . PHE B 2 161 ? -33.361 -23.631 -16.941 1.00 68.31 ? 162 PHE B CD1 1 +ATOM 5627 C CD2 . PHE B 2 161 ? -32.161 -25.434 -15.949 1.00 63.74 ? 162 PHE B CD2 1 +ATOM 5628 C CE1 . PHE B 2 161 ? -32.908 -22.780 -15.960 1.00 72.21 ? 162 PHE B CE1 1 +ATOM 5629 C CE2 . PHE B 2 161 ? -31.708 -24.583 -14.960 1.00 66.10 ? 162 PHE B CE2 1 +ATOM 5630 C CZ . PHE B 2 161 ? -32.082 -23.257 -14.967 1.00 72.60 ? 162 PHE B CZ 1 +ATOM 5631 N N . GLY B 2 162 ? -31.547 -24.264 -20.779 1.00 60.12 ? 163 GLY B N 1 +ATOM 5632 C CA . GLY B 2 162 ? -30.214 -24.073 -21.321 1.00 55.79 ? 163 GLY B CA 1 +ATOM 5633 C C . GLY B 2 162 ? -30.224 -23.658 -22.790 1.00 57.02 ? 163 GLY B C 1 +ATOM 5634 O O . GLY B 2 162 ? -31.269 -23.634 -23.441 1.00 61.72 ? 163 GLY B O 1 +ATOM 5635 N N . PRO B 2 163 ? -29.049 -23.353 -23.350 1.00 62.81 ? 164 PRO B N 1 +ATOM 5636 C CA . PRO B 2 163 ? -29.007 -22.669 -24.649 1.00 53.04 ? 164 PRO B CA 1 +ATOM 5637 C C . PRO B 2 163 ? -29.056 -23.587 -25.862 1.00 64.07 ? 164 PRO B C 1 +ATOM 5638 O O . PRO B 2 163 ? -29.347 -23.118 -26.965 1.00 60.05 ? 164 PRO B O 1 +ATOM 5639 C CB . PRO B 2 163 ? -27.661 -21.947 -24.593 1.00 53.36 ? 164 PRO B CB 1 +ATOM 5640 C CG . PRO B 2 163 ? -26.799 -22.959 -23.894 1.00 64.11 ? 164 PRO B CG 1 +ATOM 5641 C CD . PRO B 2 163 ? -27.693 -23.567 -22.811 1.00 55.41 ? 164 PRO B CD 1 +ATOM 5642 N N . GLY B 2 164 ? -28.751 -24.875 -25.706 1.00 56.53 ? 165 GLY B N 1 +ATOM 5643 C CA . GLY B 2 164 ? -28.618 -25.719 -26.880 1.00 53.15 ? 165 GLY B CA 1 +ATOM 5644 C C . GLY B 2 164 ? -27.179 -25.880 -27.327 1.00 51.34 ? 165 GLY B C 1 +ATOM 5645 O O . GLY B 2 164 ? -26.278 -25.925 -26.492 1.00 57.13 ? 165 GLY B O 1 +ATOM 5646 N N . MET B 2 165 ? -26.946 -25.951 -28.638 1.00 56.43 ? 166 MET B N 1 +ATOM 5647 C CA . MET B 2 165 ? -25.607 -26.134 -29.189 1.00 55.44 ? 166 MET B CA 1 +ATOM 5648 C C . MET B 2 165 ? -25.566 -25.529 -30.583 1.00 57.79 ? 166 MET B C 1 +ATOM 5649 O O . MET B 2 165 ? -26.600 -25.197 -31.173 1.00 54.91 ? 166 MET B O 1 +ATOM 5650 C CB . MET B 2 165 ? -25.188 -27.626 -29.235 1.00 51.03 ? 166 MET B CB 1 +ATOM 5651 C CG . MET B 2 165 ? -25.994 -28.483 -30.204 1.00 56.94 ? 166 MET B CG 1 +ATOM 5652 S SD . MET B 2 165 ? -25.617 -30.268 -30.262 1.00 64.02 ? 166 MET B SD 1 +ATOM 5653 C CE . MET B 2 165 ? -24.231 -30.353 -31.369 1.00 57.65 ? 166 MET B CE 1 +ATOM 5654 N N . TRP B 2 166 ? -24.346 -25.401 -31.107 1.00 61.43 ? 167 TRP B N 1 +ATOM 5655 C CA . TRP B 2 166 ? -24.124 -24.811 -32.423 1.00 58.52 ? 167 TRP B CA 1 +ATOM 5656 C C . TRP B 2 166 ? -24.541 -25.786 -33.513 1.00 56.99 ? 167 TRP B C 1 +ATOM 5657 O O . TRP B 2 166 ? -24.095 -26.935 -33.530 1.00 57.64 ? 167 TRP B O 1 +ATOM 5658 C CB . TRP B 2 166 ? -22.654 -24.432 -32.600 1.00 53.34 ? 167 TRP B CB 1 +ATOM 5659 C CG . TRP B 2 166 ? -22.374 -23.700 -33.870 1.00 48.75 ? 167 TRP B CG 1 +ATOM 5660 C CD1 . TRP B 2 166 ? -22.183 -24.242 -35.112 1.00 54.88 ? 167 TRP B CD1 1 +ATOM 5661 C CD2 . TRP B 2 166 ? -22.233 -22.292 -34.024 1.00 54.79 ? 167 TRP B CD2 1 +ATOM 5662 N NE1 . TRP B 2 166 ? -21.940 -23.248 -36.030 1.00 55.51 ? 167 TRP B NE1 1 +ATOM 5663 C CE2 . TRP B 2 166 ? -21.964 -22.042 -35.392 1.00 53.17 ? 167 TRP B CE2 1 +ATOM 5664 C CE3 . TRP B 2 166 ? -22.307 -21.209 -33.141 1.00 55.37 ? 167 TRP B CE3 1 +ATOM 5665 C CZ2 . TRP B 2 166 ? -21.776 -20.762 -35.892 1.00 49.51 ? 167 TRP B CZ2 1 +ATOM 5666 C CZ3 . TRP B 2 166 ? -22.119 -19.942 -33.643 1.00 53.43 ? 167 TRP B CZ3 1 +ATOM 5667 C CH2 . TRP B 2 166 ? -21.859 -19.727 -35.006 1.00 49.01 ? 167 TRP B CH2 1 +ATOM 5668 N N . VAL B 2 167 ? -25.398 -25.325 -34.420 1.00 51.66 ? 168 VAL B N 1 +ATOM 5669 C CA . VAL B 2 167 ? -25.856 -26.115 -35.558 1.00 53.46 ? 168 VAL B CA 1 +ATOM 5670 C C . VAL B 2 167 ? -25.765 -25.240 -36.796 1.00 52.00 ? 168 VAL B C 1 +ATOM 5671 O O . VAL B 2 167 ? -25.805 -24.007 -36.714 1.00 58.76 ? 168 VAL B O 1 +ATOM 5672 C CB . VAL B 2 167 ? -27.298 -26.645 -35.369 1.00 62.17 ? 168 VAL B CB 1 +ATOM 5673 C CG1 . VAL B 2 167 ? -27.403 -27.477 -34.080 1.00 60.94 ? 168 VAL B CG1 1 +ATOM 5674 C CG2 . VAL B 2 167 ? -28.278 -25.506 -35.326 1.00 60.57 ? 168 VAL B CG2 1 +ATOM 5675 N N . SER B 2 168 ? -25.617 -25.871 -37.951 1.00 53.09 ? 169 SER B N 1 +ATOM 5676 C CA . SER B 2 168 ? -25.500 -25.095 -39.176 1.00 60.62 ? 169 SER B CA 1 +ATOM 5677 C C . SER B 2 168 ? -26.133 -25.872 -40.319 1.00 57.02 ? 169 SER B C 1 +ATOM 5678 O O . SER B 2 168 ? -26.575 -27.009 -40.158 1.00 61.68 ? 169 SER B O 1 +ATOM 5679 C CB . SER B 2 168 ? -24.042 -24.757 -39.486 1.00 52.06 ? 169 SER B CB 1 +ATOM 5680 O OG . SER B 2 168 ? -23.957 -23.791 -40.516 1.00 58.08 ? 169 SER B OG 1 +ATOM 5681 N N . ASP B 2 169 ? -26.178 -25.231 -41.474 1.00 57.96 ? 170 ASP B N 1 +ATOM 5682 C CA . ASP B 2 169 ? -26.559 -25.858 -42.722 1.00 60.07 ? 170 ASP B CA 1 +ATOM 5683 C C . ASP B 2 169 ? -25.371 -26.654 -43.248 1.00 64.64 ? 170 ASP B C 1 +ATOM 5684 O O . ASP B 2 169 ? -24.260 -26.523 -42.731 1.00 55.51 ? 170 ASP B O 1 +ATOM 5685 C CB . ASP B 2 169 ? -26.977 -24.774 -43.711 1.00 59.25 ? 170 ASP B CB 1 +ATOM 5686 C CG . ASP B 2 169 ? -25.856 -23.833 -44.009 1.00 52.27 ? 170 ASP B CG 1 +ATOM 5687 O OD1 . ASP B 2 169 ? -25.578 -22.964 -43.162 1.00 60.16 ? 170 ASP B OD1 1 +ATOM 5688 O OD2 . ASP B 2 169 ? -25.219 -24.000 -45.062 1.00 57.86 ? 170 ASP B OD2 1 +ATOM 5689 N N . PRO B 2 170 ? -25.562 -27.473 -44.295 1.00 59.92 ? 171 PRO B N 1 +ATOM 5690 C CA . PRO B 2 170 ? -24.450 -28.306 -44.794 1.00 58.22 ? 171 PRO B CA 1 +ATOM 5691 C C . PRO B 2 170 ? -23.257 -27.532 -45.335 1.00 56.09 ? 171 PRO B C 1 +ATOM 5692 O O . PRO B 2 170 ? -22.209 -28.157 -45.554 1.00 52.80 ? 171 PRO B O 1 +ATOM 5693 C CB . PRO B 2 170 ? -25.105 -29.123 -45.922 1.00 54.42 ? 171 PRO B CB 1 +ATOM 5694 C CG . PRO B 2 170 ? -26.523 -29.167 -45.567 1.00 58.02 ? 171 PRO B CG 1 +ATOM 5695 C CD . PRO B 2 170 ? -26.831 -27.834 -44.960 1.00 54.42 ? 171 PRO B CD 1 +ATOM 5696 N N . TYR B 2 171 ? -23.375 -26.226 -45.599 1.00 49.76 ? 172 TYR B N 1 +ATOM 5697 C CA . TYR B 2 171 ? -22.276 -25.458 -46.178 1.00 52.46 ? 172 TYR B CA 1 +ATOM 5698 C C . TYR B 2 171 ? -21.686 -24.455 -45.203 1.00 51.28 ? 172 TYR B C 1 +ATOM 5699 O O . TYR B 2 171 ? -20.805 -23.684 -45.586 1.00 55.92 ? 172 TYR B O 1 +ATOM 5700 C CB . TYR B 2 171 ? -22.729 -24.793 -47.486 1.00 50.50 ? 172 TYR B CB 1 +ATOM 5701 C CG . TYR B 2 171 ? -23.023 -25.903 -48.460 1.00 60.98 ? 172 TYR B CG 1 +ATOM 5702 C CD1 . TYR B 2 171 ? -21.984 -26.558 -49.108 1.00 53.55 ? 172 TYR B CD1 1 +ATOM 5703 C CD2 . TYR B 2 171 ? -24.321 -26.403 -48.620 1.00 58.69 ? 172 TYR B CD2 1 +ATOM 5704 C CE1 . TYR B 2 171 ? -22.227 -27.638 -49.945 1.00 61.80 ? 172 TYR B CE1 1 +ATOM 5705 C CE2 . TYR B 2 171 ? -24.576 -27.491 -49.460 1.00 52.91 ? 172 TYR B CE2 1 +ATOM 5706 C CZ . TYR B 2 171 ? -23.521 -28.095 -50.117 1.00 60.02 ? 172 TYR B CZ 1 +ATOM 5707 O OH . TYR B 2 171 ? -23.737 -29.162 -50.939 1.00 60.03 ? 172 TYR B OH 1 +ATOM 5708 N N . GLY B 2 172 ? -22.111 -24.484 -43.943 1.00 51.55 ? 173 GLY B N 1 +ATOM 5709 C CA . GLY B 2 172 ? -21.477 -23.656 -42.936 1.00 45.94 ? 173 GLY B CA 1 +ATOM 5710 C C . GLY B 2 172 ? -21.662 -22.181 -43.193 1.00 52.32 ? 173 GLY B C 1 +ATOM 5711 O O . GLY B 2 172 ? -20.725 -21.393 -43.007 1.00 53.67 ? 173 GLY B O 1 +ATOM 5712 N N . LEU B 2 173 ? -22.858 -21.786 -43.620 1.00 56.94 ? 174 LEU B N 1 +ATOM 5713 C CA . LEU B 2 173 ? -23.122 -20.394 -43.948 1.00 51.57 ? 174 LEU B CA 1 +ATOM 5714 C C . LEU B 2 173 ? -23.938 -19.677 -42.894 1.00 52.83 ? 174 LEU B C 1 +ATOM 5715 O O . LEU B 2 173 ? -23.772 -18.467 -42.721 1.00 52.63 ? 174 LEU B O 1 +ATOM 5716 C CB . LEU B 2 173 ? -23.847 -20.305 -45.293 1.00 55.07 ? 174 LEU B CB 1 +ATOM 5717 C CG . LEU B 2 173 ? -22.992 -20.817 -46.453 1.00 59.36 ? 174 LEU B CG 1 +ATOM 5718 C CD1 . LEU B 2 173 ? -23.769 -20.740 -47.760 1.00 60.32 ? 174 LEU B CD1 1 +ATOM 5719 C CD2 . LEU B 2 173 ? -21.709 -19.991 -46.522 1.00 61.17 ? 174 LEU B CD2 1 +ATOM 5720 N N . THR B 2 174 ? -24.805 -20.387 -42.178 1.00 59.64 ? 175 THR B N 1 +ATOM 5721 C CA . THR B 2 174 ? -25.812 -19.760 -41.323 1.00 59.03 ? 175 THR B CA 1 +ATOM 5722 C C . THR B 2 174 ? -25.807 -20.345 -39.919 1.00 58.40 ? 175 THR B C 1 +ATOM 5723 O O . THR B 2 174 ? -26.867 -20.532 -39.315 1.00 64.28 ? 175 THR B O 1 +ATOM 5724 C CB . THR B 2 174 ? -27.200 -19.923 -41.938 1.00 67.29 ? 175 THR B CB 1 +ATOM 5725 O OG1 . THR B 2 174 ? -27.539 -21.316 -41.938 1.00 63.53 ? 175 THR B OG1 1 +ATOM 5726 C CG2 . THR B 2 174 ? -27.208 -19.420 -43.366 1.00 58.96 ? 175 THR B CG2 1 +ATOM 5727 N N . GLY B 2 175 ? -24.629 -20.630 -39.367 1.00 60.72 ? 176 GLY B N 1 +ATOM 5728 C CA . GLY B 2 175 ? -24.567 -21.321 -38.093 1.00 59.94 ? 176 GLY B CA 1 +ATOM 5729 C C . GLY B 2 175 ? -25.035 -20.469 -36.926 1.00 58.95 ? 176 GLY B C 1 +ATOM 5730 O O . GLY B 2 175 ? -24.895 -19.250 -36.917 1.00 59.38 ? 176 GLY B O 1 +ATOM 5731 N N . SER B 2 176 ? -25.591 -21.133 -35.914 1.00 57.88 ? 177 SER B N 1 +ATOM 5732 C CA . SER B 2 176 ? -25.989 -20.455 -34.684 1.00 55.59 ? 177 SER B CA 1 +ATOM 5733 C C . SER B 2 176 ? -26.233 -21.504 -33.605 1.00 53.35 ? 177 SER B C 1 +ATOM 5734 O O . SER B 2 176 ? -26.196 -22.714 -33.862 1.00 58.29 ? 177 SER B O 1 +ATOM 5735 C CB . SER B 2 176 ? -27.231 -19.572 -34.893 1.00 56.62 ? 177 SER B CB 1 +ATOM 5736 O OG . SER B 2 176 ? -28.365 -20.341 -35.264 1.00 63.82 ? 177 SER B OG 1 +ATOM 5737 N N . VAL B 2 177 ? -26.458 -21.029 -32.386 1.00 53.64 ? 178 VAL B N 1 +ATOM 5738 C CA . VAL B 2 177 ? -26.802 -21.905 -31.273 1.00 54.33 ? 178 VAL B CA 1 +ATOM 5739 C C . VAL B 2 177 ? -28.310 -22.088 -31.267 1.00 55.39 ? 178 VAL B C 1 +ATOM 5740 O O . VAL B 2 177 ? -29.061 -21.111 -31.263 1.00 56.90 ? 178 VAL B O 1 +ATOM 5741 C CB . VAL B 2 177 ? -26.304 -21.337 -29.936 1.00 61.47 ? 178 VAL B CB 1 +ATOM 5742 C CG1 . VAL B 2 177 ? -26.683 -22.280 -28.796 1.00 52.07 ? 178 VAL B CG1 1 +ATOM 5743 C CG2 . VAL B 2 177 ? -24.796 -21.138 -29.989 1.00 54.25 ? 178 VAL B CG2 1 +ATOM 5744 N N . GLN B 2 178 ? -28.752 -23.340 -31.281 1.00 51.99 ? 179 GLN B N 1 +ATOM 5745 C CA . GLN B 2 178 ? -30.162 -23.677 -31.384 1.00 62.30 ? 179 GLN B CA 1 +ATOM 5746 C C . GLN B 2 178 ? -30.467 -24.793 -30.409 1.00 51.23 ? 179 GLN B C 1 +ATOM 5747 O O . GLN B 2 178 ? -29.642 -25.693 -30.226 1.00 58.63 ? 179 GLN B O 1 +ATOM 5748 C CB . GLN B 2 178 ? -30.551 -24.155 -32.788 1.00 65.40 ? 179 GLN B CB 1 +ATOM 5749 C CG . GLN B 2 178 ? -30.522 -23.096 -33.853 1.00 81.81 ? 179 GLN B CG 1 +ATOM 5750 C CD . GLN B 2 178 ? -31.513 -21.983 -33.574 1.00 100.18 ? 179 GLN B CD 1 +ATOM 5751 O OE1 . GLN B 2 178 ? -32.585 -22.218 -33.005 1.00 104.58 ? 179 GLN B OE1 1 +ATOM 5752 N NE2 . GLN B 2 178 ? -31.156 -20.757 -33.965 1.00 104.93 ? 179 GLN B NE2 1 +ATOM 5753 N N . PRO B 2 179 ? -31.644 -24.784 -29.807 1.00 67.91 ? 180 PRO B N 1 +ATOM 5754 C CA . PRO B 2 179 ? -32.117 -25.990 -29.121 1.00 60.37 ? 180 PRO B CA 1 +ATOM 5755 C C . PRO B 2 179 ? -32.262 -27.130 -30.119 1.00 53.42 ? 180 PRO B C 1 +ATOM 5756 O O . PRO B 2 179 ? -32.697 -26.930 -31.254 1.00 59.49 ? 180 PRO B O 1 +ATOM 5757 C CB . PRO B 2 179 ? -33.462 -25.561 -28.531 1.00 60.83 ? 180 PRO B CB 1 +ATOM 5758 C CG . PRO B 2 179 ? -33.882 -24.389 -29.328 1.00 69.95 ? 180 PRO B CG 1 +ATOM 5759 C CD . PRO B 2 179 ? -32.644 -23.709 -29.825 1.00 64.12 ? 180 PRO B CD 1 +ATOM 5760 N N . VAL B 2 180 ? -31.845 -28.324 -29.710 1.00 53.62 ? 181 VAL B N 1 +ATOM 5761 C CA . VAL B 2 180 ? -31.831 -29.497 -30.578 1.00 56.72 ? 181 VAL B CA 1 +ATOM 5762 C C . VAL B 2 180 ? -32.635 -30.599 -29.916 1.00 59.73 ? 181 VAL B C 1 +ATOM 5763 O O . VAL B 2 180 ? -32.405 -30.917 -28.744 1.00 58.83 ? 181 VAL B O 1 +ATOM 5764 C CB . VAL B 2 180 ? -30.399 -29.983 -30.865 1.00 60.33 ? 181 VAL B CB 1 +ATOM 5765 C CG1 . VAL B 2 180 ? -30.422 -31.206 -31.804 1.00 54.13 ? 181 VAL B CG1 1 +ATOM 5766 C CG2 . VAL B 2 180 ? -29.590 -28.856 -31.450 1.00 58.62 ? 181 VAL B CG2 1 +ATOM 5767 N N . ALA B 2 181 ? -33.567 -31.187 -30.671 1.00 59.31 ? 182 ALA B N 1 +ATOM 5768 C CA . ALA B 2 181 ? -34.372 -32.305 -30.196 1.00 62.81 ? 182 ALA B CA 1 +ATOM 5769 C C . ALA B 2 181 ? -33.649 -33.629 -30.438 1.00 59.53 ? 182 ALA B C 1 +ATOM 5770 O O . ALA B 2 181 ? -32.924 -33.773 -31.420 1.00 64.10 ? 182 ALA B O 1 +ATOM 5771 C CB . ALA B 2 181 ? -35.720 -32.327 -30.915 1.00 58.59 ? 182 ALA B CB 1 +ATOM 5772 N N . PRO B 2 182 ? -33.837 -34.612 -29.565 1.00 63.10 ? 183 PRO B N 1 +ATOM 5773 C CA . PRO B 2 182 ? -33.189 -35.908 -29.778 1.00 51.02 ? 183 PRO B CA 1 +ATOM 5774 C C . PRO B 2 182 ? -33.756 -36.624 -30.991 1.00 67.02 ? 183 PRO B C 1 +ATOM 5775 O O . PRO B 2 182 ? -34.939 -36.498 -31.322 1.00 67.36 ? 183 PRO B O 1 +ATOM 5776 C CB . PRO B 2 182 ? -33.485 -36.681 -28.486 1.00 62.55 ? 183 PRO B CB 1 +ATOM 5777 C CG . PRO B 2 182 ? -34.638 -35.964 -27.864 1.00 53.90 ? 183 PRO B CG 1 +ATOM 5778 C CD . PRO B 2 182 ? -34.538 -34.545 -28.273 1.00 56.99 ? 183 PRO B CD 1 +ATOM 5779 N N . GLU B 2 183 ? -32.879 -37.361 -31.671 1.00 57.71 ? 184 GLU B N 1 +ATOM 5780 C CA . GLU B 2 183 ? -33.265 -38.276 -32.735 1.00 60.83 ? 184 GLU B CA 1 +ATOM 5781 C C . GLU B 2 183 ? -33.187 -39.692 -32.179 1.00 61.67 ? 184 GLU B C 1 +ATOM 5782 O O . GLU B 2 183 ? -32.113 -40.140 -31.757 1.00 70.08 ? 184 GLU B O 1 +ATOM 5783 C CB . GLU B 2 183 ? -32.357 -38.111 -33.954 1.00 58.45 ? 184 GLU B CB 1 +ATOM 5784 C CG . GLU B 2 183 ? -32.597 -39.110 -35.078 1.00 70.67 ? 184 GLU B CG 1 +ATOM 5785 C CD . GLU B 2 183 ? -34.029 -39.105 -35.577 1.00 72.14 ? 184 GLU B CD 1 +ATOM 5786 O OE1 . GLU B 2 183 ? -34.501 -38.035 -36.028 1.00 67.56 ? 184 GLU B OE1 1 +ATOM 5787 O OE2 . GLU B 2 183 ? -34.680 -40.174 -35.499 1.00 71.07 ? 184 GLU B OE2 1 +ATOM 5788 N N . TRP B 2 184 ? -34.321 -40.388 -32.153 1.00 71.58 ? 185 TRP B N 1 +ATOM 5789 C CA . TRP B 2 184 ? -34.387 -41.707 -31.539 1.00 68.29 ? 185 TRP B CA 1 +ATOM 5790 C C . TRP B 2 184 ? -34.362 -42.838 -32.549 1.00 65.62 ? 185 TRP B C 1 +ATOM 5791 O O . TRP B 2 184 ? -34.361 -44.002 -32.142 1.00 65.24 ? 185 TRP B O 1 +ATOM 5792 C CB . TRP B 2 184 ? -35.631 -41.822 -30.663 1.00 58.12 ? 185 TRP B CB 1 +ATOM 5793 C CG . TRP B 2 184 ? -35.597 -40.908 -29.473 1.00 70.07 ? 185 TRP B CG 1 +ATOM 5794 C CD1 . TRP B 2 184 ? -36.365 -39.798 -29.270 1.00 56.60 ? 185 TRP B CD1 1 +ATOM 5795 C CD2 . TRP B 2 184 ? -34.742 -41.020 -28.322 1.00 51.82 ? 185 TRP B CD2 1 +ATOM 5796 N NE1 . TRP B 2 184 ? -36.048 -39.216 -28.065 1.00 66.89 ? 185 TRP B NE1 1 +ATOM 5797 C CE2 . TRP B 2 184 ? -35.057 -39.951 -27.464 1.00 56.63 ? 185 TRP B CE2 1 +ATOM 5798 C CE3 . TRP B 2 184 ? -33.741 -41.912 -27.943 1.00 67.94 ? 185 TRP B CE3 1 +ATOM 5799 C CZ2 . TRP B 2 184 ? -34.408 -39.752 -26.252 1.00 58.96 ? 185 TRP B CZ2 1 +ATOM 5800 C CZ3 . TRP B 2 184 ? -33.103 -41.722 -26.727 1.00 57.32 ? 185 TRP B CZ3 1 +ATOM 5801 C CH2 . TRP B 2 184 ? -33.435 -40.648 -25.904 1.00 55.27 ? 185 TRP B CH2 1 +ATOM 5802 N N . GLY B 2 185 ? -34.347 -42.527 -33.845 1.00 64.91 ? 186 GLY B N 1 +ATOM 5803 C CA . GLY B 2 185 ? -34.252 -43.528 -34.881 1.00 57.65 ? 186 GLY B CA 1 +ATOM 5804 C C . GLY B 2 185 ? -32.813 -43.848 -35.242 1.00 68.52 ? 186 GLY B C 1 +ATOM 5805 O O . GLY B 2 185 ? -31.866 -43.353 -34.626 1.00 76.81 ? 186 GLY B O 1 +ATOM 5806 N N . PRO B 2 186 ? -32.620 -44.694 -36.250 1.00 63.20 ? 187 PRO B N 1 +ATOM 5807 C CA . PRO B 2 186 ? -31.252 -45.109 -36.602 1.00 79.45 ? 187 PRO B CA 1 +ATOM 5808 C C . PRO B 2 186 ? -30.367 -43.975 -37.112 1.00 58.48 ? 187 PRO B C 1 +ATOM 5809 O O . PRO B 2 186 ? -29.141 -44.123 -37.121 1.00 61.92 ? 187 PRO B O 1 +ATOM 5810 C CB . PRO B 2 186 ? -31.481 -46.178 -37.685 1.00 69.15 ? 187 PRO B CB 1 +ATOM 5811 C CG . PRO B 2 186 ? -32.814 -45.861 -38.246 1.00 65.06 ? 187 PRO B CG 1 +ATOM 5812 C CD . PRO B 2 186 ? -33.625 -45.392 -37.063 1.00 67.13 ? 187 PRO B CD 1 +ATOM 5813 N N . ASP B 2 187 ? -30.937 -42.853 -37.541 1.00 58.94 ? 188 ASP B N 1 +ATOM 5814 C CA . ASP B 2 187 ? -30.106 -41.735 -37.962 1.00 55.93 ? 188 ASP B CA 1 +ATOM 5815 C C . ASP B 2 187 ? -29.446 -41.033 -36.778 1.00 69.27 ? 188 ASP B C 1 +ATOM 5816 O O . ASP B 2 187 ? -28.533 -40.223 -36.982 1.00 56.79 ? 188 ASP B O 1 +ATOM 5817 C CB . ASP B 2 187 ? -30.952 -40.755 -38.776 1.00 53.29 ? 188 ASP B CB 1 +ATOM 5818 C CG . ASP B 2 187 ? -30.114 -39.786 -39.600 1.00 62.04 ? 188 ASP B CG 1 +ATOM 5819 O OD1 . ASP B 2 187 ? -29.179 -40.229 -40.297 1.00 61.70 ? 188 ASP B OD1 1 +ATOM 5820 O OD2 . ASP B 2 187 ? -30.410 -38.577 -39.565 1.00 66.11 ? 188 ASP B OD2 1 +ATOM 5821 N N . GLY B 2 188 ? -29.890 -41.319 -35.551 1.00 55.46 ? 189 GLY B N 1 +ATOM 5822 C CA . GLY B 2 188 ? -29.224 -40.798 -34.382 1.00 53.76 ? 189 GLY B CA 1 +ATOM 5823 C C . GLY B 2 188 ? -27.787 -41.256 -34.246 1.00 62.84 ? 189 GLY B C 1 +ATOM 5824 O O . GLY B 2 188 ? -27.037 -40.661 -33.465 1.00 64.89 ? 189 GLY B O 1 +ATOM 5825 N N . PHE B 2 189 ? -27.384 -42.282 -34.989 1.00 51.00 ? 190 PHE B N 1 +ATOM 5826 C CA . PHE B 2 189 ? -26.011 -42.761 -34.980 1.00 60.30 ? 190 PHE B CA 1 +ATOM 5827 C C . PHE B 2 189 ? -25.234 -42.237 -36.174 1.00 62.52 ? 190 PHE B C 1 +ATOM 5828 O O . PHE B 2 189 ? -24.082 -42.633 -36.377 1.00 54.37 ? 190 PHE B O 1 +ATOM 5829 C CB . PHE B 2 189 ? -25.991 -44.295 -34.928 1.00 55.84 ? 190 PHE B CB 1 +ATOM 5830 C CG . PHE B 2 189 ? -26.721 -44.854 -33.730 1.00 57.61 ? 190 PHE B CG 1 +ATOM 5831 C CD1 . PHE B 2 189 ? -26.114 -44.876 -32.483 1.00 57.32 ? 190 PHE B CD1 1 +ATOM 5832 C CD2 . PHE B 2 189 ? -28.026 -45.312 -33.843 1.00 59.64 ? 190 PHE B CD2 1 +ATOM 5833 C CE1 . PHE B 2 189 ? -26.783 -45.365 -31.359 1.00 61.68 ? 190 PHE B CE1 1 +ATOM 5834 C CE2 . PHE B 2 189 ? -28.706 -45.801 -32.738 1.00 63.25 ? 190 PHE B CE2 1 +ATOM 5835 C CZ . PHE B 2 189 ? -28.086 -45.825 -31.486 1.00 61.89 ? 190 PHE B CZ 1 +ATOM 5836 N N . ASN B 2 190 ? -25.851 -41.356 -36.960 1.00 50.78 ? 191 ASN B N 1 +ATOM 5837 C CA . ASN B 2 190 ? -25.178 -40.618 -38.031 1.00 59.78 ? 191 ASN B CA 1 +ATOM 5838 C C . ASN B 2 190 ? -24.334 -39.525 -37.388 1.00 55.57 ? 191 ASN B C 1 +ATOM 5839 O O . ASN B 2 190 ? -24.886 -38.672 -36.687 1.00 55.97 ? 191 ASN B O 1 +ATOM 5840 C CB . ASN B 2 190 ? -26.234 -40.028 -38.978 1.00 60.81 ? 191 ASN B CB 1 +ATOM 5841 C CG . ASN B 2 190 ? -25.654 -39.168 -40.113 1.00 63.76 ? 191 ASN B CG 1 +ATOM 5842 O OD1 . ASN B 2 190 ? -24.498 -38.757 -40.100 1.00 55.43 ? 191 ASN B OD1 1 +ATOM 5843 N ND2 . ASN B 2 190 ? -26.495 -38.883 -41.100 1.00 58.43 ? 191 ASN B ND2 1 +ATOM 5844 N N . PRO B 2 191 ? -23.015 -39.503 -37.592 1.00 56.27 ? 192 PRO B N 1 +ATOM 5845 C CA . PRO B 2 191 ? -22.188 -38.500 -36.899 1.00 55.35 ? 192 PRO B CA 1 +ATOM 5846 C C . PRO B 2 191 ? -22.547 -37.062 -37.246 1.00 49.59 ? 192 PRO B C 1 +ATOM 5847 O O . PRO B 2 191 ? -22.212 -36.157 -36.475 1.00 55.19 ? 192 PRO B O 1 +ATOM 5848 C CB . PRO B 2 191 ? -20.762 -38.853 -37.338 1.00 52.84 ? 192 PRO B CB 1 +ATOM 5849 C CG . PRO B 2 191 ? -20.929 -39.654 -38.588 1.00 60.24 ? 192 PRO B CG 1 +ATOM 5850 C CD . PRO B 2 191 ? -22.209 -40.404 -38.432 1.00 50.84 ? 192 PRO B CD 1 +ATOM 5851 N N . TYR B 2 192 ? -23.254 -36.827 -38.349 1.00 54.27 ? 193 TYR B N 1 +ATOM 5852 C CA . TYR B 2 192 ? -23.633 -35.484 -38.777 1.00 53.32 ? 193 TYR B CA 1 +ATOM 5853 C C . TYR B 2 192 ? -25.021 -35.069 -38.313 1.00 58.03 ? 193 TYR B C 1 +ATOM 5854 O O . TYR B 2 192 ? -25.458 -33.965 -38.637 1.00 59.61 ? 193 TYR B O 1 +ATOM 5855 C CB . TYR B 2 192 ? -23.544 -35.387 -40.303 1.00 53.63 ? 193 TYR B CB 1 +ATOM 5856 C CG . TYR B 2 192 ? -22.139 -35.598 -40.763 1.00 53.13 ? 193 TYR B CG 1 +ATOM 5857 C CD1 . TYR B 2 192 ? -21.211 -34.563 -40.676 1.00 54.39 ? 193 TYR B CD1 1 +ATOM 5858 C CD2 . TYR B 2 192 ? -21.715 -36.839 -41.227 1.00 47.29 ? 193 TYR B CD2 1 +ATOM 5859 C CE1 . TYR B 2 192 ? -19.904 -34.744 -41.068 1.00 57.71 ? 193 TYR B CE1 1 +ATOM 5860 C CE2 . TYR B 2 192 ? -20.402 -37.041 -41.625 1.00 56.40 ? 193 TYR B CE2 1 +ATOM 5861 C CZ . TYR B 2 192 ? -19.501 -35.980 -41.538 1.00 60.96 ? 193 TYR B CZ 1 +ATOM 5862 O OH . TYR B 2 192 ? -18.195 -36.141 -41.912 1.00 55.78 ? 193 TYR B OH 1 +ATOM 5863 N N . ASN B 2 193 ? -25.717 -35.911 -37.562 1.00 54.17 ? 194 ASN B N 1 +ATOM 5864 C CA . ASN B 2 193 ? -27.048 -35.573 -37.093 1.00 61.24 ? 194 ASN B CA 1 +ATOM 5865 C C . ASN B 2 193 ? -26.934 -35.042 -35.672 1.00 57.83 ? 194 ASN B C 1 +ATOM 5866 O O . ASN B 2 193 ? -26.706 -35.837 -34.738 1.00 58.65 ? 194 ASN B O 1 +ATOM 5867 C CB . ASN B 2 193 ? -27.960 -36.807 -37.145 1.00 64.42 ? 194 ASN B CB 1 +ATOM 5868 C CG . ASN B 2 193 ? -29.431 -36.466 -36.927 1.00 61.76 ? 194 ASN B CG 1 +ATOM 5869 O OD1 . ASN B 2 193 ? -29.772 -35.754 -35.992 1.00 73.92 ? 194 ASN B OD1 1 +ATOM 5870 N ND2 . ASN B 2 193 ? -30.304 -36.975 -37.791 1.00 68.36 ? 194 ASN B ND2 1 +ATOM 5871 N N . PRO B 2 194 ? -27.070 -33.734 -35.448 1.00 53.59 ? 195 PRO B N 1 +ATOM 5872 C CA . PRO B 2 194 ? -26.939 -33.227 -34.072 1.00 51.64 ? 195 PRO B CA 1 +ATOM 5873 C C . PRO B 2 194 ? -27.941 -33.847 -33.122 1.00 51.64 ? 195 PRO B C 1 +ATOM 5874 O O . PRO B 2 194 ? -27.665 -33.952 -31.917 1.00 57.22 ? 195 PRO B O 1 +ATOM 5875 C CB . PRO B 2 194 ? -27.159 -31.711 -34.225 1.00 47.29 ? 195 PRO B CB 1 +ATOM 5876 C CG . PRO B 2 194 ? -27.698 -31.501 -35.601 1.00 52.25 ? 195 PRO B CG 1 +ATOM 5877 C CD . PRO B 2 194 ? -27.300 -32.664 -36.438 1.00 52.96 ? 195 PRO B CD 1 +ATOM 5878 N N . GLY B 2 195 ? -29.097 -34.276 -33.644 1.00 55.87 ? 196 GLY B N 1 +ATOM 5879 C CA . GLY B 2 195 ? -30.101 -34.926 -32.823 1.00 52.49 ? 196 GLY B CA 1 +ATOM 5880 C C . GLY B 2 195 ? -29.593 -36.168 -32.124 1.00 52.76 ? 196 GLY B C 1 +ATOM 5881 O O . GLY B 2 195 ? -29.990 -36.449 -30.989 1.00 57.64 ? 196 GLY B O 1 +ATOM 5882 N N . GLY B 2 196 ? -28.709 -36.923 -32.782 1.00 52.19 ? 197 GLY B N 1 +ATOM 5883 C CA . GLY B 2 196 ? -28.109 -38.080 -32.139 1.00 46.08 ? 197 GLY B CA 1 +ATOM 5884 C C . GLY B 2 196 ? -27.217 -37.720 -30.966 1.00 59.36 ? 197 GLY B C 1 +ATOM 5885 O O . GLY B 2 196 ? -27.063 -38.519 -30.036 1.00 58.44 ? 197 GLY B O 1 +ATOM 5886 N N . VAL B 2 197 ? -26.614 -36.524 -30.986 1.00 53.29 ? 198 VAL B N 1 +ATOM 5887 C CA . VAL B 2 197 ? -25.825 -36.090 -29.839 1.00 46.55 ? 198 VAL B CA 1 +ATOM 5888 C C . VAL B 2 197 ? -26.720 -35.926 -28.621 1.00 56.96 ? 198 VAL B C 1 +ATOM 5889 O O . VAL B 2 197 ? -26.362 -36.329 -27.499 1.00 52.78 ? 198 VAL B O 1 +ATOM 5890 C CB . VAL B 2 197 ? -25.081 -34.776 -30.154 1.00 55.63 ? 198 VAL B CB 1 +ATOM 5891 C CG1 . VAL B 2 197 ? -24.356 -34.286 -28.913 1.00 48.72 ? 198 VAL B CG1 1 +ATOM 5892 C CG2 . VAL B 2 197 ? -24.115 -34.952 -31.317 1.00 49.62 ? 198 VAL B CG2 1 +ATOM 5893 N N . VAL B 2 198 ? -27.877 -35.288 -28.812 1.00 47.70 ? 199 VAL B N 1 +ATOM 5894 C CA . VAL B 2 198 ? -28.825 -35.126 -27.717 1.00 60.42 ? 199 VAL B CA 1 +ATOM 5895 C C . VAL B 2 198 ? -29.287 -36.493 -27.214 1.00 58.73 ? 199 VAL B C 1 +ATOM 5896 O O . VAL B 2 198 ? -29.290 -36.764 -26.007 1.00 53.66 ? 199 VAL B O 1 +ATOM 5897 C CB . VAL B 2 198 ? -30.010 -34.249 -28.170 1.00 60.52 ? 199 VAL B CB 1 +ATOM 5898 C CG1 . VAL B 2 198 ? -31.029 -34.086 -27.061 1.00 54.88 ? 199 VAL B CG1 1 +ATOM 5899 C CG2 . VAL B 2 198 ? -29.506 -32.883 -28.652 1.00 56.60 ? 199 VAL B CG2 1 +ATOM 5900 N N . ALA B 2 199 ? -29.648 -37.388 -28.142 1.00 54.99 ? 200 ALA B N 1 +ATOM 5901 C CA . ALA B 2 199 ? -30.182 -38.689 -27.750 1.00 52.32 ? 200 ALA B CA 1 +ATOM 5902 C C . ALA B 2 199 ? -29.137 -39.510 -27.012 1.00 61.98 ? 200 ALA B C 1 +ATOM 5903 O O . ALA B 2 199 ? -29.459 -40.185 -26.022 1.00 60.60 ? 200 ALA B O 1 +ATOM 5904 C CB . ALA B 2 199 ? -30.688 -39.450 -28.974 1.00 51.60 ? 200 ALA B CB 1 +ATOM 5905 N N . HIS B 2 200 ? -27.878 -39.460 -27.477 1.00 55.82 ? 201 HIS B N 1 +ATOM 5906 C CA . HIS B 2 200 ? -26.801 -40.199 -26.819 1.00 56.44 ? 201 HIS B CA 1 +ATOM 5907 C C . HIS B 2 200 ? -26.692 -39.834 -25.344 1.00 56.03 ? 201 HIS B C 1 +ATOM 5908 O O . HIS B 2 200 ? -26.533 -40.708 -24.488 1.00 53.53 ? 201 HIS B O 1 +ATOM 5909 C CB . HIS B 2 200 ? -25.452 -39.937 -27.494 1.00 50.92 ? 201 HIS B CB 1 +ATOM 5910 C CG . HIS B 2 200 ? -24.287 -40.297 -26.624 1.00 53.12 ? 201 HIS B CG 1 +ATOM 5911 N ND1 . HIS B 2 200 ? -23.735 -41.563 -26.605 1.00 57.72 ? 201 HIS B ND1 1 +ATOM 5912 C CD2 . HIS B 2 200 ? -23.619 -39.579 -25.683 1.00 48.28 ? 201 HIS B CD2 1 +ATOM 5913 C CE1 . HIS B 2 200 ? -22.762 -41.601 -25.708 1.00 56.25 ? 201 HIS B CE1 1 +ATOM 5914 N NE2 . HIS B 2 200 ? -22.675 -40.412 -25.133 1.00 51.51 ? 201 HIS B NE2 1 +ATOM 5915 N N . HIS B 2 201 ? -26.725 -38.541 -25.029 1.00 54.36 ? 202 HIS B N 1 +ATOM 5916 C CA . HIS B 2 201 ? -26.464 -38.145 -23.653 1.00 58.44 ? 202 HIS B CA 1 +ATOM 5917 C C . HIS B 2 201 ? -27.635 -38.483 -22.738 1.00 53.93 ? 202 HIS B C 1 +ATOM 5918 O O . HIS B 2 201 ? -27.422 -38.819 -21.573 1.00 55.33 ? 202 HIS B O 1 +ATOM 5919 C CB . HIS B 2 201 ? -26.102 -36.652 -23.592 1.00 47.00 ? 202 HIS B CB 1 +ATOM 5920 C CG . HIS B 2 201 ? -24.707 -36.371 -24.069 1.00 64.07 ? 202 HIS B CG 1 +ATOM 5921 N ND1 . HIS B 2 201 ? -24.418 -36.000 -25.369 1.00 46.10 ? 202 HIS B ND1 1 +ATOM 5922 C CD2 . HIS B 2 201 ? -23.514 -36.471 -23.431 1.00 41.86 ? 202 HIS B CD2 1 +ATOM 5923 C CE1 . HIS B 2 201 ? -23.112 -35.852 -25.501 1.00 55.22 ? 202 HIS B CE1 1 +ATOM 5924 N NE2 . HIS B 2 201 ? -22.541 -36.132 -24.340 1.00 51.09 ? 202 HIS B NE2 1 +ATOM 5925 N N . ILE B 2 202 ? -28.867 -38.409 -23.241 1.00 59.06 ? 203 ILE B N 1 +ATOM 5926 C CA . ILE B 2 202 ? -30.018 -38.820 -22.440 1.00 63.70 ? 203 ILE B CA 1 +ATOM 5927 C C . ILE B 2 202 ? -29.951 -40.315 -22.145 1.00 53.79 ? 203 ILE B C 1 +ATOM 5928 O O . ILE B 2 202 ? -30.102 -40.748 -20.999 1.00 61.39 ? 203 ILE B O 1 +ATOM 5929 C CB . ILE B 2 202 ? -31.325 -38.436 -23.156 1.00 66.46 ? 203 ILE B CB 1 +ATOM 5930 C CG1 . ILE B 2 202 ? -31.496 -36.912 -23.163 1.00 52.12 ? 203 ILE B CG1 1 +ATOM 5931 C CG2 . ILE B 2 202 ? -32.511 -39.129 -22.505 1.00 61.13 ? 203 ILE B CG2 1 +ATOM 5932 C CD1 . ILE B 2 202 ? -32.581 -36.418 -24.089 1.00 55.85 ? 203 ILE B CD1 1 +ATOM 5933 N N . ALA B 2 203 ? -29.669 -41.120 -23.172 1.00 56.32 ? 204 ALA B N 1 +ATOM 5934 C CA . ALA B 2 203 ? -29.722 -42.573 -23.058 1.00 48.14 ? 204 ALA B CA 1 +ATOM 5935 C C . ALA B 2 203 ? -28.497 -43.137 -22.348 1.00 57.48 ? 204 ALA B C 1 +ATOM 5936 O O . ALA B 2 203 ? -28.623 -43.993 -21.463 1.00 62.39 ? 204 ALA B O 1 +ATOM 5937 C CB . ALA B 2 203 ? -29.870 -43.191 -24.450 1.00 55.47 ? 204 ALA B CB 1 +ATOM 5938 N N . ALA B 2 204 ? -27.295 -42.689 -22.727 1.00 61.52 ? 205 ALA B N 1 +ATOM 5939 C CA . ALA B 2 204 ? -26.104 -43.121 -21.995 1.00 63.01 ? 205 ALA B CA 1 +ATOM 5940 C C . ALA B 2 204 ? -26.133 -42.649 -20.547 1.00 60.40 ? 205 ALA B C 1 +ATOM 5941 O O . ALA B 2 204 ? -25.604 -43.335 -19.661 1.00 53.21 ? 205 ALA B O 1 +ATOM 5942 C CB . ALA B 2 204 ? -24.835 -42.619 -22.682 1.00 58.72 ? 205 ALA B CB 1 +ATOM 5943 N N . GLY B 2 205 ? -26.729 -41.480 -20.291 1.00 57.27 ? 206 GLY B N 1 +ATOM 5944 C CA . GLY B 2 205 ? -26.845 -41.014 -18.916 1.00 58.44 ? 206 GLY B CA 1 +ATOM 5945 C C . GLY B 2 205 ? -27.708 -41.920 -18.053 1.00 57.99 ? 206 GLY B C 1 +ATOM 5946 O O . GLY B 2 205 ? -27.354 -42.234 -16.914 1.00 58.15 ? 206 GLY B O 1 +ATOM 5947 N N . ILE B 2 206 ? -28.857 -42.345 -18.583 1.00 61.42 ? 207 ILE B N 1 +ATOM 5948 C CA . ILE B 2 206 ? -29.719 -43.284 -17.871 1.00 60.42 ? 207 ILE B CA 1 +ATOM 5949 C C . ILE B 2 206 ? -28.992 -44.602 -17.638 1.00 58.63 ? 207 ILE B C 1 +ATOM 5950 O O . ILE B 2 206 ? -29.052 -45.182 -16.547 1.00 59.72 ? 207 ILE B O 1 +ATOM 5951 C CB . ILE B 2 206 ? -31.030 -43.483 -18.658 1.00 65.65 ? 207 ILE B CB 1 +ATOM 5952 C CG1 . ILE B 2 206 ? -31.945 -42.276 -18.449 1.00 71.31 ? 207 ILE B CG1 1 +ATOM 5953 C CG2 . ILE B 2 206 ? -31.728 -44.786 -18.238 1.00 67.46 ? 207 ILE B CG2 1 +ATOM 5954 C CD1 . ILE B 2 206 ? -32.866 -41.994 -19.621 1.00 80.90 ? 207 ILE B CD1 1 +ATOM 5955 N N . VAL B 2 207 ? -28.300 -45.102 -18.663 1.00 57.04 ? 208 VAL B N 1 +ATOM 5956 C CA . VAL B 2 207 ? -27.542 -46.337 -18.501 1.00 48.39 ? 208 VAL B CA 1 +ATOM 5957 C C . VAL B 2 207 ? -26.486 -46.171 -17.420 1.00 58.08 ? 208 VAL B C 1 +ATOM 5958 O O . VAL B 2 207 ? -26.261 -47.076 -16.608 1.00 59.40 ? 208 VAL B O 1 +ATOM 5959 C CB . VAL B 2 207 ? -26.929 -46.763 -19.847 1.00 63.53 ? 208 VAL B CB 1 +ATOM 5960 C CG1 . VAL B 2 207 ? -25.774 -47.718 -19.628 1.00 60.07 ? 208 VAL B CG1 1 +ATOM 5961 C CG2 . VAL B 2 207 ? -27.988 -47.431 -20.714 1.00 55.61 ? 208 VAL B CG2 1 +ATOM 5962 N N . GLY B 2 208 ? -25.839 -45.000 -17.370 1.00 57.82 ? 209 GLY B N 1 +ATOM 5963 C CA . GLY B 2 208 ? -24.835 -44.771 -16.348 1.00 52.57 ? 209 GLY B CA 1 +ATOM 5964 C C . GLY B 2 208 ? -25.415 -44.678 -14.951 1.00 57.45 ? 209 GLY B C 1 +ATOM 5965 O O . GLY B 2 208 ? -24.773 -45.087 -13.975 1.00 62.54 ? 209 GLY B O 1 +ATOM 5966 N N . ILE B 2 209 ? -26.614 -44.110 -14.827 1.00 61.61 ? 210 ILE B N 1 +ATOM 5967 C CA . ILE B 2 209 ? -27.310 -44.125 -13.546 1.00 57.12 ? 210 ILE B CA 1 +ATOM 5968 C C . ILE B 2 209 ? -27.567 -45.561 -13.104 1.00 61.45 ? 210 ILE B C 1 +ATOM 5969 O O . ILE B 2 209 ? -27.204 -45.960 -11.992 1.00 63.85 ? 210 ILE B O 1 +ATOM 5970 C CB . ILE B 2 209 ? -28.615 -43.318 -13.640 1.00 65.25 ? 210 ILE B CB 1 +ATOM 5971 C CG1 . ILE B 2 209 ? -28.295 -41.828 -13.787 1.00 58.29 ? 210 ILE B CG1 1 +ATOM 5972 C CG2 . ILE B 2 209 ? -29.471 -43.570 -12.391 1.00 70.81 ? 210 ILE B CG2 1 +ATOM 5973 C CD1 . ILE B 2 209 ? -29.463 -40.994 -14.248 1.00 59.01 ? 210 ILE B CD1 1 +ATOM 5974 N N . ILE B 2 210 ? -28.177 -46.364 -13.980 1.00 57.88 ? 211 ILE B N 1 +ATOM 5975 C CA . ILE B 2 210 ? -28.472 -47.755 -13.650 1.00 57.61 ? 211 ILE B CA 1 +ATOM 5976 C C . ILE B 2 210 ? -27.191 -48.502 -13.311 1.00 63.40 ? 211 ILE B C 1 +ATOM 5977 O O . ILE B 2 210 ? -27.099 -49.190 -12.284 1.00 58.84 ? 211 ILE B O 1 +ATOM 5978 C CB . ILE B 2 210 ? -29.225 -48.434 -14.810 1.00 58.31 ? 211 ILE B CB 1 +ATOM 5979 C CG1 . ILE B 2 210 ? -30.648 -47.884 -14.915 1.00 60.18 ? 211 ILE B CG1 1 +ATOM 5980 C CG2 . ILE B 2 210 ? -29.260 -49.935 -14.614 1.00 66.39 ? 211 ILE B CG2 1 +ATOM 5981 C CD1 . ILE B 2 210 ? -31.345 -48.223 -16.206 1.00 66.49 ? 211 ILE B CD1 1 +ATOM 5982 N N . ALA B 2 211 ? -26.181 -48.382 -14.169 1.00 51.70 ? 212 ALA B N 1 +ATOM 5983 C CA . ALA B 2 211 ? -24.945 -49.116 -13.927 1.00 55.56 ? 212 ALA B CA 1 +ATOM 5984 C C . ALA B 2 211 ? -24.237 -48.614 -12.677 1.00 51.77 ? 212 ALA B C 1 +ATOM 5985 O O . ALA B 2 211 ? -23.574 -49.396 -11.983 1.00 60.57 ? 212 ALA B O 1 +ATOM 5986 C CB . ALA B 2 211 ? -24.030 -49.010 -15.145 1.00 57.75 ? 212 ALA B CB 1 +ATOM 5987 N N . GLY B 2 212 ? -24.357 -47.315 -12.380 1.00 58.08 ? 213 GLY B N 1 +ATOM 5988 C CA . GLY B 2 212 ? -23.837 -46.797 -11.122 1.00 53.89 ? 213 GLY B CA 1 +ATOM 5989 C C . GLY B 2 212 ? -24.500 -47.424 -9.904 1.00 66.92 ? 213 GLY B C 1 +ATOM 5990 O O . GLY B 2 212 ? -23.829 -47.758 -8.920 1.00 56.98 ? 213 GLY B O 1 +ATOM 5991 N N . LEU B 2 213 ? -25.829 -47.586 -9.943 1.00 59.04 ? 214 LEU B N 1 +ATOM 5992 C CA . LEU B 2 213 ? -26.509 -48.241 -8.826 1.00 62.68 ? 214 LEU B CA 1 +ATOM 5993 C C . LEU B 2 213 ? -26.050 -49.681 -8.685 1.00 63.66 ? 214 LEU B C 1 +ATOM 5994 O O . LEU B 2 213 ? -25.774 -50.144 -7.576 1.00 63.97 ? 214 LEU B O 1 +ATOM 5995 C CB . LEU B 2 213 ? -28.021 -48.175 -9.005 1.00 67.33 ? 214 LEU B CB 1 +ATOM 5996 C CG . LEU B 2 213 ? -28.580 -46.765 -8.810 1.00 71.56 ? 214 LEU B CG 1 +ATOM 5997 C CD1 . LEU B 2 213 ? -29.993 -46.710 -9.338 1.00 75.27 ? 214 LEU B CD1 1 +ATOM 5998 C CD2 . LEU B 2 213 ? -28.539 -46.366 -7.342 1.00 67.18 ? 214 LEU B CD2 1 +ATOM 5999 N N . PHE B 2 214 ? -25.926 -50.394 -9.807 1.00 57.17 ? 215 PHE B N 1 +ATOM 6000 C CA . PHE B 2 214 ? -25.388 -51.744 -9.767 1.00 52.84 ? 215 PHE B CA 1 +ATOM 6001 C C . PHE B 2 214 ? -24.027 -51.783 -9.078 1.00 62.82 ? 215 PHE B C 1 +ATOM 6002 O O . PHE B 2 214 ? -23.796 -52.598 -8.182 1.00 63.80 ? 215 PHE B O 1 +ATOM 6003 C CB . PHE B 2 214 ? -25.286 -52.326 -11.180 1.00 53.18 ? 215 PHE B CB 1 +ATOM 6004 C CG . PHE B 2 214 ? -24.453 -53.574 -11.244 1.00 60.20 ? 215 PHE B CG 1 +ATOM 6005 C CD1 . PHE B 2 214 ? -24.999 -54.804 -10.894 1.00 66.10 ? 215 PHE B CD1 1 +ATOM 6006 C CD2 . PHE B 2 214 ? -23.112 -53.517 -11.608 1.00 54.12 ? 215 PHE B CD2 1 +ATOM 6007 C CE1 . PHE B 2 214 ? -24.233 -55.957 -10.940 1.00 63.79 ? 215 PHE B CE1 1 +ATOM 6008 C CE2 . PHE B 2 214 ? -22.333 -54.667 -11.641 1.00 55.68 ? 215 PHE B CE2 1 +ATOM 6009 C CZ . PHE B 2 214 ? -22.896 -55.884 -11.304 1.00 73.93 ? 215 PHE B CZ 1 +ATOM 6010 N N . HIS B 2 215 ? -23.102 -50.918 -9.495 1.00 69.05 ? 216 HIS B N 1 +ATOM 6011 C CA . HIS B 2 215 ? -21.752 -50.982 -8.944 1.00 64.86 ? 216 HIS B CA 1 +ATOM 6012 C C . HIS B 2 215 ? -21.682 -50.458 -7.511 1.00 65.22 ? 216 HIS B C 1 +ATOM 6013 O O . HIS B 2 215 ? -20.700 -50.740 -6.815 1.00 60.08 ? 216 HIS B O 1 +ATOM 6014 C CB . HIS B 2 215 ? -20.775 -50.219 -9.850 1.00 60.73 ? 216 HIS B CB 1 +ATOM 6015 C CG . HIS B 2 215 ? -20.330 -51.003 -11.043 1.00 47.83 ? 216 HIS B CG 1 +ATOM 6016 N ND1 . HIS B 2 215 ? -19.409 -52.024 -10.958 1.00 53.00 ? 216 HIS B ND1 1 +ATOM 6017 C CD2 . HIS B 2 215 ? -20.689 -50.928 -12.345 1.00 47.64 ? 216 HIS B CD2 1 +ATOM 6018 C CE1 . HIS B 2 215 ? -19.216 -52.546 -12.157 1.00 52.85 ? 216 HIS B CE1 1 +ATOM 6019 N NE2 . HIS B 2 215 ? -19.984 -51.902 -13.019 1.00 56.37 ? 216 HIS B NE2 1 +ATOM 6020 N N . ILE B 2 216 ? -22.690 -49.712 -7.047 1.00 54.47 ? 217 ILE B N 1 +ATOM 6021 C CA . ILE B 2 216 ? -22.764 -49.416 -5.619 1.00 54.26 ? 217 ILE B CA 1 +ATOM 6022 C C . ILE B 2 216 ? -23.229 -50.644 -4.826 1.00 64.43 ? 217 ILE B C 1 +ATOM 6023 O O . ILE B 2 216 ? -22.716 -50.919 -3.740 1.00 58.22 ? 217 ILE B O 1 +ATOM 6024 C CB . ILE B 2 216 ? -23.662 -48.193 -5.371 1.00 66.37 ? 217 ILE B CB 1 +ATOM 6025 C CG1 . ILE B 2 216 ? -22.985 -46.926 -5.909 1.00 60.71 ? 217 ILE B CG1 1 +ATOM 6026 C CG2 . ILE B 2 216 ? -23.930 -48.006 -3.880 1.00 55.98 ? 217 ILE B CG2 1 +ATOM 6027 C CD1 . ILE B 2 216 ? -23.936 -45.761 -6.073 1.00 58.53 ? 217 ILE B CD1 1 +ATOM 6028 N N . LEU B 2 217 ? -24.161 -51.433 -5.371 1.00 60.91 ? 218 LEU B N 1 +ATOM 6029 C CA . LEU B 2 217 ? -24.828 -52.466 -4.590 1.00 64.87 ? 218 LEU B CA 1 +ATOM 6030 C C . LEU B 2 217 ? -24.218 -53.860 -4.723 1.00 67.03 ? 218 LEU B C 1 +ATOM 6031 O O . LEU B 2 217 ? -24.361 -54.655 -3.795 1.00 72.23 ? 218 LEU B O 1 +ATOM 6032 C CB . LEU B 2 217 ? -26.314 -52.523 -4.968 1.00 59.88 ? 218 LEU B CB 1 +ATOM 6033 C CG . LEU B 2 217 ? -27.050 -51.231 -4.606 1.00 69.73 ? 218 LEU B CG 1 +ATOM 6034 C CD1 . LEU B 2 217 ? -28.465 -51.234 -5.163 1.00 67.43 ? 218 LEU B CD1 1 +ATOM 6035 C CD2 . LEU B 2 217 ? -27.062 -51.017 -3.106 1.00 62.74 ? 218 LEU B CD2 1 +ATOM 6036 N N . VAL B 2 218 ? -23.544 -54.190 -5.824 1.00 68.87 ? 219 VAL B N 1 +ATOM 6037 C CA . VAL B 2 218 ? -23.028 -55.540 -6.047 1.00 58.77 ? 219 VAL B CA 1 +ATOM 6038 C C . VAL B 2 218 ? -21.509 -55.521 -5.945 1.00 63.93 ? 219 VAL B C 1 +ATOM 6039 O O . VAL B 2 218 ? -20.841 -54.764 -6.657 1.00 71.45 ? 219 VAL B O 1 +ATOM 6040 C CB . VAL B 2 218 ? -23.485 -56.095 -7.397 1.00 59.49 ? 219 VAL B CB 1 +ATOM 6041 C CG1 . VAL B 2 218 ? -22.941 -57.495 -7.602 1.00 54.75 ? 219 VAL B CG1 1 +ATOM 6042 C CG2 . VAL B 2 218 ? -25.000 -56.055 -7.465 1.00 64.15 ? 219 VAL B CG2 1 +ATOM 6043 N N . ARG B 2 219 ? -20.966 -56.348 -5.056 1.00 63.25 ? 220 ARG B N 1 +ATOM 6044 C CA . ARG B 2 219 ? -19.527 -56.439 -4.902 1.00 56.38 ? 220 ARG B CA 1 +ATOM 6045 C C . ARG B 2 219 ? -18.915 -57.141 -6.111 1.00 68.89 ? 220 ARG B C 1 +ATOM 6046 O O . ARG B 2 219 ? -19.610 -57.850 -6.846 1.00 66.70 ? 220 ARG B O 1 +ATOM 6047 C CB . ARG B 2 219 ? -19.175 -57.190 -3.619 1.00 53.48 ? 220 ARG B CB 1 +ATOM 6048 C CG . ARG B 2 219 ? -19.643 -56.492 -2.352 1.00 64.18 ? 220 ARG B CG 1 +ATOM 6049 C CD . ARG B 2 219 ? -19.131 -55.056 -2.267 1.00 60.87 ? 220 ARG B CD 1 +ATOM 6050 N NE . ARG B 2 219 ? -17.672 -54.988 -2.220 1.00 72.68 ? 220 ARG B NE 1 +ATOM 6051 C CZ . ARG B 2 219 ? -16.976 -53.864 -2.115 1.00 64.96 ? 220 ARG B CZ 1 +ATOM 6052 N NH1 . ARG B 2 219 ? -17.577 -52.694 -2.046 1.00 50.94 ? 220 ARG B NH1 1 +ATOM 6053 N NH2 . ARG B 2 219 ? -15.645 -53.920 -2.082 1.00 52.06 ? 220 ARG B NH2 1 +ATOM 6054 N N . PRO B 2 220 ? -17.609 -56.957 -6.336 1.00 59.78 ? 221 PRO B N 1 +ATOM 6055 C CA . PRO B 2 220 ? -16.956 -57.679 -7.424 1.00 64.31 ? 221 PRO B CA 1 +ATOM 6056 C C . PRO B 2 220 ? -16.858 -59.149 -7.134 1.00 65.29 ? 221 PRO B C 1 +ATOM 6057 O O . PRO B 2 220 ? -16.649 -59.578 -5.975 1.00 58.66 ? 221 PRO B O 1 +ATOM 6058 C CB . PRO B 2 220 ? -15.558 -57.031 -7.482 1.00 56.65 ? 221 PRO B CB 1 +ATOM 6059 C CG . PRO B 2 220 ? -15.657 -55.800 -6.703 1.00 59.75 ? 221 PRO B CG 1 +ATOM 6060 C CD . PRO B 2 220 ? -16.691 -56.021 -5.678 1.00 54.94 ? 221 PRO B CD 1 +ATOM 6061 N N . PRO B 2 221 ? -16.962 -60.003 -8.153 1.00 57.34 ? 222 PRO B N 1 +ATOM 6062 C CA . PRO B 2 221 ? -16.663 -61.420 -7.987 1.00 65.61 ? 222 PRO B CA 1 +ATOM 6063 C C . PRO B 2 221 ? -15.216 -61.622 -7.574 1.00 59.84 ? 222 PRO B C 1 +ATOM 6064 O O . PRO B 2 221 ? -14.309 -60.958 -8.078 1.00 63.94 ? 222 PRO B O 1 +ATOM 6065 C CB . PRO B 2 221 ? -16.923 -62.003 -9.376 1.00 65.55 ? 222 PRO B CB 1 +ATOM 6066 C CG . PRO B 2 221 ? -17.663 -60.951 -10.126 1.00 57.16 ? 222 PRO B CG 1 +ATOM 6067 C CD . PRO B 2 221 ? -17.277 -59.654 -9.545 1.00 59.60 ? 222 PRO B CD 1 +ATOM 6068 N N . GLN B 2 222 ? -15.009 -62.582 -6.676 1.00 61.18 ? 223 GLN B N 1 +ATOM 6069 C CA . GLN B 2 222 ? -13.670 -62.877 -6.179 1.00 55.50 ? 223 GLN B CA 1 +ATOM 6070 C C . GLN B 2 222 ? -12.694 -63.114 -7.317 1.00 60.78 ? 223 GLN B C 1 +ATOM 6071 O O . GLN B 2 222 ? -11.531 -62.702 -7.249 1.00 57.99 ? 223 GLN B O 1 +ATOM 6072 C CB . GLN B 2 222 ? -13.739 -64.094 -5.257 1.00 58.34 ? 223 GLN B CB 1 +ATOM 6073 C CG . GLN B 2 222 ? -12.416 -64.611 -4.774 1.00 68.92 ? 223 GLN B CG 1 +ATOM 6074 C CD . GLN B 2 222 ? -12.598 -65.638 -3.664 1.00 137.73 ? 223 GLN B CD 1 +ATOM 6075 O OE1 . GLN B 2 222 ? -13.198 -66.711 -3.870 1.00 113.83 ? 223 GLN B OE1 1 +ATOM 6076 N NE2 . GLN B 2 222 ? -12.112 -65.300 -2.467 1.00 148.05 ? 223 GLN B NE2 1 +ATOM 6077 N N . ARG B 2 223 ? -13.156 -63.764 -8.383 1.00 55.72 ? 224 ARG B N 1 +ATOM 6078 C CA . ARG B 2 223 ? -12.261 -64.076 -9.483 1.00 63.93 ? 224 ARG B CA 1 +ATOM 6079 C C . ARG B 2 223 ? -11.859 -62.834 -10.263 1.00 57.55 ? 224 ARG B C 1 +ATOM 6080 O O . ARG B 2 223 ? -10.758 -62.792 -10.818 1.00 63.58 ? 224 ARG B O 1 +ATOM 6081 C CB . ARG B 2 223 ? -12.908 -65.115 -10.397 1.00 71.47 ? 224 ARG B CB 1 +ATOM 6082 C CG . ARG B 2 223 ? -13.253 -66.370 -9.625 1.00 79.17 ? 224 ARG B CG 1 +ATOM 6083 C CD . ARG B 2 223 ? -13.367 -67.578 -10.478 1.00 73.91 ? 224 ARG B CD 1 +ATOM 6084 N NE . ARG B 2 223 ? -12.080 -68.159 -10.831 1.00 90.42 ? 224 ARG B NE 1 +ATOM 6085 C CZ . ARG B 2 223 ? -11.892 -69.447 -11.095 1.00 85.17 ? 224 ARG B CZ 1 +ATOM 6086 N NH1 . ARG B 2 223 ? -12.863 -70.333 -10.953 1.00 90.33 ? 224 ARG B NH1 1 +ATOM 6087 N NH2 . ARG B 2 223 ? -10.700 -69.856 -11.519 1.00 83.21 ? 224 ARG B NH2 1 +ATOM 6088 N N . LEU B 2 224 ? -12.726 -61.825 -10.338 1.00 58.91 ? 225 LEU B N 1 +ATOM 6089 C CA . LEU B 2 224 ? -12.333 -60.616 -11.055 1.00 59.65 ? 225 LEU B CA 1 +ATOM 6090 C C . LEU B 2 224 ? -11.465 -59.724 -10.176 1.00 62.27 ? 225 LEU B C 1 +ATOM 6091 O O . LEU B 2 224 ? -10.516 -59.098 -10.666 1.00 58.47 ? 225 LEU B O 1 +ATOM 6092 C CB . LEU B 2 224 ? -13.567 -59.866 -11.551 1.00 52.42 ? 225 LEU B CB 1 +ATOM 6093 C CG . LEU B 2 224 ? -14.327 -60.618 -12.639 1.00 58.83 ? 225 LEU B CG 1 +ATOM 6094 C CD1 . LEU B 2 224 ? -15.499 -59.802 -13.159 1.00 55.93 ? 225 LEU B CD1 1 +ATOM 6095 C CD2 . LEU B 2 224 ? -13.400 -61.009 -13.766 1.00 59.76 ? 225 LEU B CD2 1 +ATOM 6096 N N . TYR B 2 225 ? -11.771 -59.697 -8.872 1.00 53.25 ? 226 TYR B N 1 +ATOM 6097 C CA . TYR B 2 225 ? -11.005 -58.921 -7.913 1.00 51.02 ? 226 TYR B CA 1 +ATOM 6098 C C . TYR B 2 225 ? -9.549 -59.365 -7.880 1.00 65.96 ? 226 TYR B C 1 +ATOM 6099 O O . TYR B 2 225 ? -8.631 -58.532 -7.905 1.00 63.33 ? 226 TYR B O 1 +ATOM 6100 C CB . TYR B 2 225 ? -11.645 -59.054 -6.537 1.00 57.03 ? 226 TYR B CB 1 +ATOM 6101 C CG . TYR B 2 225 ? -11.126 -58.100 -5.491 1.00 50.92 ? 226 TYR B CG 1 +ATOM 6102 C CD1 . TYR B 2 225 ? -9.898 -58.314 -4.861 1.00 53.01 ? 226 TYR B CD1 1 +ATOM 6103 C CD2 . TYR B 2 225 ? -11.882 -57.004 -5.107 1.00 49.37 ? 226 TYR B CD2 1 +ATOM 6104 C CE1 . TYR B 2 225 ? -9.438 -57.437 -3.895 1.00 50.31 ? 226 TYR B CE1 1 +ATOM 6105 C CE2 . TYR B 2 225 ? -11.443 -56.134 -4.140 1.00 49.64 ? 226 TYR B CE2 1 +ATOM 6106 C CZ . TYR B 2 225 ? -10.221 -56.349 -3.539 1.00 61.40 ? 226 TYR B CZ 1 +ATOM 6107 O OH . TYR B 2 225 ? -9.792 -55.462 -2.572 1.00 64.68 ? 226 TYR B OH 1 +ATOM 6108 N N . LYS B 2 226 ? -9.318 -60.675 -7.822 1.00 55.50 ? 227 LYS B N 1 +ATOM 6109 C CA . LYS B 2 226 ? -7.953 -61.187 -7.824 1.00 70.82 ? 227 LYS B CA 1 +ATOM 6110 C C . LYS B 2 226 ? -7.274 -60.929 -9.160 1.00 58.00 ? 227 LYS B C 1 +ATOM 6111 O O . LYS B 2 226 ? -6.130 -60.465 -9.203 1.00 63.84 ? 227 LYS B O 1 +ATOM 6112 C CB . LYS B 2 226 ? -7.939 -62.683 -7.493 1.00 53.83 ? 227 LYS B CB 1 +ATOM 6113 C CG . LYS B 2 226 ? -8.204 -62.977 -6.016 1.00 84.77 ? 227 LYS B CG 1 +ATOM 6114 C CD . LYS B 2 226 ? -7.861 -64.420 -5.639 1.00 92.93 ? 227 LYS B CD 1 +ATOM 6115 C CE . LYS B 2 226 ? -6.347 -64.652 -5.598 1.00 135.23 ? 227 LYS B CE 1 +ATOM 6116 N NZ . LYS B 2 226 ? -5.719 -64.850 -6.947 1.00 141.10 ? 227 LYS B NZ 1 +ATOM 6117 N N . ALA B 2 227 ? -7.967 -61.226 -10.261 1.00 54.92 ? 228 ALA B N 1 +ATOM 6118 C CA . ALA B 2 227 ? -7.352 -61.147 -11.579 1.00 59.25 ? 228 ALA B CA 1 +ATOM 6119 C C . ALA B 2 227 ? -6.989 -59.708 -11.962 1.00 65.82 ? 228 ALA B C 1 +ATOM 6120 O O . ALA B 2 227 ? -5.963 -59.477 -12.615 1.00 58.91 ? 228 ALA B O 1 +ATOM 6121 C CB . ALA B 2 227 ? -8.285 -61.756 -12.620 1.00 49.99 ? 228 ALA B CB 1 +ATOM 6122 N N . LEU B 2 228 ? -7.821 -58.733 -11.596 1.00 53.93 ? 229 LEU B N 1 +ATOM 6123 C CA . LEU B 2 228 ? -7.537 -57.336 -11.910 1.00 52.85 ? 229 LEU B CA 1 +ATOM 6124 C C . LEU B 2 228 ? -6.890 -56.568 -10.756 1.00 55.40 ? 229 LEU B C 1 +ATOM 6125 O O . LEU B 2 228 ? -6.664 -55.364 -10.890 1.00 55.76 ? 229 LEU B O 1 +ATOM 6126 C CB . LEU B 2 228 ? -8.817 -56.627 -12.360 1.00 55.75 ? 229 LEU B CB 1 +ATOM 6127 C CG . LEU B 2 228 ? -9.336 -57.074 -13.729 1.00 58.09 ? 229 LEU B CG 1 +ATOM 6128 C CD1 . LEU B 2 228 ? -10.636 -56.365 -14.090 1.00 60.47 ? 229 LEU B CD1 1 +ATOM 6129 C CD2 . LEU B 2 228 ? -8.259 -56.801 -14.764 1.00 67.22 ? 229 LEU B CD2 1 +ATOM 6130 N N . ARG B 2 229 ? -6.583 -57.228 -9.632 1.00 53.73 ? 230 ARG B N 1 +ATOM 6131 C CA . ARG B 2 229 ? -5.934 -56.586 -8.487 1.00 57.39 ? 230 ARG B CA 1 +ATOM 6132 C C . ARG B 2 229 ? -6.717 -55.355 -8.027 1.00 51.99 ? 230 ARG B C 1 +ATOM 6133 O O . ARG B 2 229 ? -6.163 -54.263 -7.887 1.00 54.53 ? 230 ARG B O 1 +ATOM 6134 C CB . ARG B 2 229 ? -4.479 -56.209 -8.799 1.00 51.78 ? 230 ARG B CB 1 +ATOM 6135 C CG . ARG B 2 229 ? -3.691 -57.247 -9.597 1.00 63.85 ? 230 ARG B CG 1 +ATOM 6136 C CD . ARG B 2 229 ? -3.248 -58.433 -8.741 1.00 61.52 ? 230 ARG B CD 1 +ATOM 6137 N NE . ARG B 2 229 ? -2.148 -59.162 -9.372 1.00 66.27 ? 230 ARG B NE 1 +ATOM 6138 C CZ . ARG B 2 229 ? -2.285 -60.046 -10.359 1.00 83.90 ? 230 ARG B CZ 1 +ATOM 6139 N NH1 . ARG B 2 229 ? -3.479 -60.386 -10.833 1.00 82.08 ? 230 ARG B NH1 1 +ATOM 6140 N NH2 . ARG B 2 229 ? -1.197 -60.593 -10.899 1.00 77.76 ? 230 ARG B NH2 1 +ATOM 6141 N N . MET B 2 230 ? -8.014 -55.548 -7.766 1.00 52.02 ? 231 MET B N 1 +ATOM 6142 C CA . MET B 2 230 ? -8.898 -54.436 -7.419 1.00 54.99 ? 231 MET B CA 1 +ATOM 6143 C C . MET B 2 230 ? -8.630 -53.830 -6.044 1.00 56.43 ? 231 MET B C 1 +ATOM 6144 O O . MET B 2 230 ? -9.278 -52.842 -5.693 1.00 54.55 ? 231 MET B O 1 +ATOM 6145 C CB . MET B 2 230 ? -10.354 -54.878 -7.479 1.00 54.89 ? 231 MET B CB 1 +ATOM 6146 C CG . MET B 2 230 ? -10.738 -55.496 -8.791 1.00 54.18 ? 231 MET B CG 1 +ATOM 6147 S SD . MET B 2 230 ? -12.522 -55.427 -8.868 1.00 57.78 ? 231 MET B SD 1 +ATOM 6148 C CE . MET B 2 230 ? -12.828 -56.346 -10.368 1.00 52.41 ? 231 MET B CE 1 +ATOM 6149 N N . GLY B 2 231 ? -7.750 -54.411 -5.238 1.00 54.71 ? 232 GLY B N 1 +ATOM 6150 C CA . GLY B 2 231 ? -7.288 -53.673 -4.087 1.00 46.28 ? 232 GLY B CA 1 +ATOM 6151 C C . GLY B 2 231 ? -6.135 -52.735 -4.375 1.00 64.99 ? 232 GLY B C 1 +ATOM 6152 O O . GLY B 2 231 ? -5.703 -52.002 -3.477 1.00 54.18 ? 232 GLY B O 1 +ATOM 6153 N N . ASN B 2 232 ? -5.626 -52.724 -5.619 1.00 54.79 ? 233 ASN B N 1 +ATOM 6154 C CA . ASN B 2 232 ? -4.437 -51.956 -5.991 1.00 62.07 ? 233 ASN B CA 1 +ATOM 6155 C C . ASN B 2 232 ? -4.872 -50.754 -6.831 1.00 46.22 ? 233 ASN B C 1 +ATOM 6156 O O . ASN B 2 232 ? -5.355 -50.922 -7.956 1.00 54.82 ? 233 ASN B O 1 +ATOM 6157 C CB . ASN B 2 232 ? -3.444 -52.832 -6.755 1.00 49.35 ? 233 ASN B CB 1 +ATOM 6158 C CG . ASN B 2 232 ? -2.145 -52.094 -7.108 1.00 55.22 ? 233 ASN B CG 1 +ATOM 6159 O OD1 . ASN B 2 232 ? -2.065 -50.875 -7.016 1.00 57.61 ? 233 ASN B OD1 1 +ATOM 6160 N ND2 . ASN B 2 232 ? -1.135 -52.841 -7.535 1.00 51.88 ? 233 ASN B ND2 1 +ATOM 6161 N N . ILE B 2 233 ? -4.664 -49.547 -6.302 1.00 51.86 ? 234 ILE B N 1 +ATOM 6162 C CA . ILE B 2 233 ? -5.129 -48.329 -6.979 1.00 53.46 ? 234 ILE B CA 1 +ATOM 6163 C C . ILE B 2 233 ? -4.491 -48.196 -8.355 1.00 53.91 ? 234 ILE B C 1 +ATOM 6164 O O . ILE B 2 233 ? -5.104 -47.648 -9.281 1.00 50.43 ? 234 ILE B O 1 +ATOM 6165 C CB . ILE B 2 233 ? -4.866 -47.083 -6.097 1.00 58.88 ? 234 ILE B CB 1 +ATOM 6166 C CG1 . ILE B 2 233 ? -5.513 -45.823 -6.705 1.00 52.14 ? 234 ILE B CG1 1 +ATOM 6167 C CG2 . ILE B 2 233 ? -3.364 -46.880 -5.858 1.00 40.48 ? 234 ILE B CG2 1 +ATOM 6168 C CD1 . ILE B 2 233 ? -5.603 -44.659 -5.738 1.00 51.81 ? 234 ILE B CD1 1 +ATOM 6169 N N . GLU B 2 234 ? -3.281 -48.740 -8.533 1.00 50.75 ? 235 GLU B N 1 +ATOM 6170 C CA . GLU B 2 234 ? -2.643 -48.668 -9.835 1.00 51.28 ? 235 GLU B CA 1 +ATOM 6171 C C . GLU B 2 234 ? -3.414 -49.443 -10.900 1.00 60.00 ? 235 GLU B C 1 +ATOM 6172 O O . GLU B 2 234 ? -3.228 -49.175 -12.094 1.00 53.09 ? 235 GLU B O 1 +ATOM 6173 C CB . GLU B 2 234 ? -1.192 -49.152 -9.759 1.00 49.79 ? 235 GLU B CB 1 +ATOM 6174 C CG . GLU B 2 234 ? -0.333 -48.629 -10.914 1.00 50.92 ? 235 GLU B CG 1 +ATOM 6175 C CD . GLU B 2 234 ? 1.157 -48.685 -10.631 1.00 59.83 ? 235 GLU B CD 1 +ATOM 6176 O OE1 . GLU B 2 234 ? 1.543 -49.176 -9.560 1.00 52.91 ? 235 GLU B OE1 1 +ATOM 6177 O OE2 . GLU B 2 234 ? 1.949 -48.216 -11.482 1.00 55.26 ? 235 GLU B OE2 1 +ATOM 6178 N N . THR B 2 235 ? -4.295 -50.377 -10.524 1.00 48.33 ? 236 THR B N 1 +ATOM 6179 C CA . THR B 2 235 ? -5.078 -51.018 -11.584 1.00 51.08 ? 236 THR B CA 1 +ATOM 6180 C C . THR B 2 235 ? -6.068 -50.032 -12.187 1.00 46.04 ? 236 THR B C 1 +ATOM 6181 O O . THR B 2 235 ? -6.361 -50.106 -13.384 1.00 54.18 ? 236 THR B O 1 +ATOM 6182 C CB . THR B 2 235 ? -5.809 -52.278 -11.079 1.00 46.41 ? 236 THR B CB 1 +ATOM 6183 O OG1 . THR B 2 235 ? -6.121 -53.111 -12.194 1.00 51.19 ? 236 THR B OG1 1 +ATOM 6184 C CG2 . THR B 2 235 ? -7.129 -51.945 -10.374 1.00 42.85 ? 236 THR B CG2 1 +ATOM 6185 N N . VAL B 2 236 ? -6.585 -49.105 -11.373 1.00 48.01 ? 237 VAL B N 1 +ATOM 6186 C CA . VAL B 2 236 ? -7.489 -48.077 -11.880 1.00 53.76 ? 237 VAL B CA 1 +ATOM 6187 C C . VAL B 2 236 ? -6.748 -47.119 -12.803 1.00 47.29 ? 237 VAL B C 1 +ATOM 6188 O O . VAL B 2 236 ? -7.278 -46.698 -13.838 1.00 51.30 ? 237 VAL B O 1 +ATOM 6189 C CB . VAL B 2 236 ? -8.145 -47.333 -10.696 1.00 58.75 ? 237 VAL B CB 1 +ATOM 6190 C CG1 . VAL B 2 236 ? -9.154 -46.277 -11.201 1.00 50.21 ? 237 VAL B CG1 1 +ATOM 6191 C CG2 . VAL B 2 236 ? -8.784 -48.347 -9.726 1.00 49.80 ? 237 VAL B CG2 1 +ATOM 6192 N N . LEU B 2 237 ? -5.513 -46.755 -12.443 1.00 51.05 ? 238 LEU B N 1 +ATOM 6193 C CA . LEU B 2 237 ? -4.714 -45.899 -13.310 1.00 49.10 ? 238 LEU B CA 1 +ATOM 6194 C C . LEU B 2 237 ? -4.520 -46.552 -14.674 1.00 47.47 ? 238 LEU B C 1 +ATOM 6195 O O . LEU B 2 237 ? -4.640 -45.888 -15.714 1.00 46.86 ? 238 LEU B O 1 +ATOM 6196 C CB . LEU B 2 237 ? -3.368 -45.577 -12.640 1.00 47.07 ? 238 LEU B CB 1 +ATOM 6197 C CG . LEU B 2 237 ? -2.464 -44.563 -13.366 1.00 52.84 ? 238 LEU B CG 1 +ATOM 6198 C CD1 . LEU B 2 237 ? -3.223 -43.273 -13.651 1.00 38.88 ? 238 LEU B CD1 1 +ATOM 6199 C CD2 . LEU B 2 237 ? -1.168 -44.254 -12.606 1.00 46.82 ? 238 LEU B CD2 1 +ATOM 6200 N N A SER B 2 238 ? -4.278 -47.872 -14.694 0.50 48.44 ? 239 SER B N 1 +ATOM 6201 N N B SER B 2 238 ? -4.251 -47.856 -14.693 0.50 48.40 ? 239 SER B N 1 +ATOM 6202 C CA A SER B 2 238 ? -4.024 -48.572 -15.949 0.50 47.92 ? 239 SER B CA 1 +ATOM 6203 C CA B SER B 2 238 ? -4.021 -48.543 -15.957 0.50 47.89 ? 239 SER B CA 1 +ATOM 6204 C C A SER B 2 238 ? -5.255 -48.580 -16.847 0.50 53.39 ? 239 SER B C 1 +ATOM 6205 C C B SER B 2 238 ? -5.262 -48.532 -16.841 0.50 53.36 ? 239 SER B C 1 +ATOM 6206 O O A SER B 2 238 ? -5.159 -48.304 -18.048 0.50 50.90 ? 239 SER B O 1 +ATOM 6207 O O B SER B 2 238 ? -5.173 -48.253 -18.041 0.50 50.95 ? 239 SER B O 1 +ATOM 6208 C CB A SER B 2 238 ? -3.560 -50.000 -15.660 0.50 49.51 ? 239 SER B CB 1 +ATOM 6209 C CB B SER B 2 238 ? -3.571 -49.977 -15.698 0.50 49.50 ? 239 SER B CB 1 +ATOM 6210 O OG A SER B 2 238 ? -2.645 -50.024 -14.568 0.50 48.50 ? 239 SER B OG 1 +ATOM 6211 O OG B SER B 2 238 ? -3.414 -50.654 -16.926 0.50 41.45 ? 239 SER B OG 1 +ATOM 6212 N N . SER B 2 239 ? -6.426 -48.859 -16.277 1.00 51.76 ? 240 SER B N 1 +ATOM 6213 C CA . SER B 2 239 ? -7.633 -48.912 -17.100 1.00 56.01 ? 240 SER B CA 1 +ATOM 6214 C C . SER B 2 239 ? -8.174 -47.516 -17.396 1.00 47.10 ? 240 SER B C 1 +ATOM 6215 O O . SER B 2 239 ? -8.762 -47.304 -18.460 1.00 50.49 ? 240 SER B O 1 +ATOM 6216 C CB . SER B 2 239 ? -8.711 -49.793 -16.432 1.00 47.08 ? 240 SER B CB 1 +ATOM 6217 O OG . SER B 2 239 ? -8.846 -49.463 -15.060 1.00 50.50 ? 240 SER B OG 1 +ATOM 6218 N N . SER B 2 240 ? -7.986 -46.555 -16.479 1.00 49.54 ? 241 SER B N 1 +ATOM 6219 C CA . SER B 2 240 ? -8.387 -45.180 -16.767 1.00 46.66 ? 241 SER B CA 1 +ATOM 6220 C C . SER B 2 240 ? -7.589 -44.605 -17.934 1.00 55.73 ? 241 SER B C 1 +ATOM 6221 O O . SER B 2 240 ? -8.148 -43.939 -18.814 1.00 49.65 ? 241 SER B O 1 +ATOM 6222 C CB . SER B 2 240 ? -8.205 -44.309 -15.532 1.00 50.56 ? 241 SER B CB 1 +ATOM 6223 O OG . SER B 2 240 ? -9.218 -44.550 -14.575 1.00 51.98 ? 241 SER B OG 1 +ATOM 6224 N N . ILE B 2 241 ? -6.281 -44.865 -17.963 1.00 50.00 ? 242 ILE B N 1 +ATOM 6225 C CA . ILE B 2 241 ? -5.453 -44.385 -19.062 1.00 45.38 ? 242 ILE B CA 1 +ATOM 6226 C C . ILE B 2 241 ? -5.908 -45.007 -20.368 1.00 41.50 ? 242 ILE B C 1 +ATOM 6227 O O . ILE B 2 241 ? -5.912 -44.352 -21.413 1.00 48.63 ? 242 ILE B O 1 +ATOM 6228 C CB . ILE B 2 241 ? -3.961 -44.671 -18.781 1.00 46.77 ? 242 ILE B CB 1 +ATOM 6229 C CG1 . ILE B 2 241 ? -3.438 -43.768 -17.660 1.00 42.25 ? 242 ILE B CG1 1 +ATOM 6230 C CG2 . ILE B 2 241 ? -3.133 -44.495 -20.058 1.00 44.93 ? 242 ILE B CG2 1 +ATOM 6231 C CD1 . ILE B 2 241 ? -2.029 -44.092 -17.226 1.00 43.25 ? 242 ILE B CD1 1 +ATOM 6232 N N . ALA B 2 242 ? -6.305 -46.284 -20.331 1.00 46.35 ? 243 ALA B N 1 +ATOM 6233 C CA . ALA B 2 242 ? -6.776 -46.953 -21.542 1.00 44.67 ? 243 ALA B CA 1 +ATOM 6234 C C . ALA B 2 242 ? -8.062 -46.312 -22.069 1.00 48.55 ? 243 ALA B C 1 +ATOM 6235 O O . ALA B 2 242 ? -8.196 -46.067 -23.275 1.00 47.16 ? 243 ALA B O 1 +ATOM 6236 C CB . ALA B 2 242 ? -6.969 -48.455 -21.262 1.00 45.80 ? 243 ALA B CB 1 +ATOM 6237 N N . ALA B 2 243 ? -9.020 -46.029 -21.179 1.00 42.14 ? 244 ALA B N 1 +ATOM 6238 C CA . ALA B 2 243 ? -10.239 -45.333 -21.589 1.00 53.53 ? 244 ALA B CA 1 +ATOM 6239 C C . ALA B 2 243 ? -9.920 -43.954 -22.150 1.00 51.25 ? 244 ALA B C 1 +ATOM 6240 O O . ALA B 2 243 ? -10.563 -43.489 -23.100 1.00 49.42 ? 244 ALA B O 1 +ATOM 6241 C CB . ALA B 2 243 ? -11.197 -45.198 -20.398 1.00 49.08 ? 244 ALA B CB 1 +ATOM 6242 N N . VAL B 2 244 ? -8.950 -43.270 -21.542 1.00 48.82 ? 245 VAL B N 1 +ATOM 6243 C CA . VAL B 2 244 ? -8.631 -41.914 -21.956 1.00 45.48 ? 245 VAL B CA 1 +ATOM 6244 C C . VAL B 2 244 ? -7.999 -41.918 -23.351 1.00 51.06 ? 245 VAL B C 1 +ATOM 6245 O O . VAL B 2 244 ? -8.360 -41.093 -24.197 1.00 47.80 ? 245 VAL B O 1 +ATOM 6246 C CB . VAL B 2 244 ? -7.750 -41.229 -20.887 1.00 45.68 ? 245 VAL B CB 1 +ATOM 6247 C CG1 . VAL B 2 244 ? -7.057 -40.079 -21.437 1.00 51.82 ? 245 VAL B CG1 1 +ATOM 6248 C CG2 . VAL B 2 244 ? -8.626 -40.703 -19.743 1.00 46.50 ? 245 VAL B CG2 1 +ATOM 6249 N N . PHE B 2 245 ? -7.091 -42.871 -23.649 1.00 44.18 ? 246 PHE B N 1 +ATOM 6250 C CA . PHE B 2 245 ? -6.499 -42.823 -24.992 1.00 47.34 ? 246 PHE B CA 1 +ATOM 6251 C C . PHE B 2 245 ? -7.501 -43.281 -26.042 1.00 47.08 ? 246 PHE B C 1 +ATOM 6252 O O . PHE B 2 245 ? -7.507 -42.743 -27.151 1.00 52.81 ? 246 PHE B O 1 +ATOM 6253 C CB . PHE B 2 245 ? -5.143 -43.575 -25.079 1.00 44.01 ? 246 PHE B CB 1 +ATOM 6254 C CG . PHE B 2 245 ? -5.205 -45.100 -25.228 1.00 46.67 ? 246 PHE B CG 1 +ATOM 6255 C CD1 . PHE B 2 245 ? -5.682 -45.708 -26.388 1.00 48.47 ? 246 PHE B CD1 1 +ATOM 6256 C CD2 . PHE B 2 245 ? -4.654 -45.916 -24.234 1.00 45.49 ? 246 PHE B CD2 1 +ATOM 6257 C CE1 . PHE B 2 245 ? -5.694 -47.099 -26.518 1.00 58.98 ? 246 PHE B CE1 1 +ATOM 6258 C CE2 . PHE B 2 245 ? -4.662 -47.303 -24.352 1.00 50.53 ? 246 PHE B CE2 1 +ATOM 6259 C CZ . PHE B 2 245 ? -5.180 -47.900 -25.493 1.00 48.76 ? 246 PHE B CZ 1 +ATOM 6260 N N . PHE B 2 246 ? -8.382 -44.220 -25.691 1.00 48.97 ? 247 PHE B N 1 +ATOM 6261 C CA . PHE B 2 246 ? -9.529 -44.545 -26.534 1.00 51.95 ? 247 PHE B CA 1 +ATOM 6262 C C . PHE B 2 246 ? -10.315 -43.280 -26.890 1.00 45.40 ? 247 PHE B C 1 +ATOM 6263 O O . PHE B 2 246 ? -10.577 -43.009 -28.065 1.00 52.53 ? 247 PHE B O 1 +ATOM 6264 C CB . PHE B 2 246 ? -10.412 -45.578 -25.805 1.00 50.12 ? 247 PHE B CB 1 +ATOM 6265 C CG . PHE B 2 246 ? -11.565 -46.112 -26.621 1.00 59.70 ? 247 PHE B CG 1 +ATOM 6266 C CD1 . PHE B 2 246 ? -12.791 -45.465 -26.634 1.00 57.85 ? 247 PHE B CD1 1 +ATOM 6267 C CD2 . PHE B 2 246 ? -11.430 -47.280 -27.352 1.00 64.73 ? 247 PHE B CD2 1 +ATOM 6268 C CE1 . PHE B 2 246 ? -13.845 -45.946 -27.384 1.00 53.90 ? 247 PHE B CE1 1 +ATOM 6269 C CE2 . PHE B 2 246 ? -12.493 -47.778 -28.104 1.00 68.04 ? 247 PHE B CE2 1 +ATOM 6270 C CZ . PHE B 2 246 ? -13.701 -47.103 -28.119 1.00 61.85 ? 247 PHE B CZ 1 +ATOM 6271 N N . ALA B 2 247 ? -10.704 -42.502 -25.880 1.00 47.14 ? 248 ALA B N 1 +ATOM 6272 C CA . ALA B 2 247 ? -11.461 -41.269 -26.118 1.00 53.54 ? 248 ALA B CA 1 +ATOM 6273 C C . ALA B 2 247 ? -10.666 -40.273 -26.961 1.00 52.01 ? 248 ALA B C 1 +ATOM 6274 O O . ALA B 2 247 ? -11.228 -39.583 -27.826 1.00 53.67 ? 248 ALA B O 1 +ATOM 6275 C CB . ALA B 2 247 ? -11.848 -40.629 -24.775 1.00 41.73 ? 248 ALA B CB 1 +ATOM 6276 N N . ALA B 2 248 ? -9.359 -40.170 -26.709 1.00 46.26 ? 249 ALA B N 1 +ATOM 6277 C CA . ALA B 2 248 ? -8.534 -39.214 -27.446 1.00 52.77 ? 249 ALA B CA 1 +ATOM 6278 C C . ALA B 2 248 ? -8.478 -39.552 -28.936 1.00 49.94 ? 249 ALA B C 1 +ATOM 6279 O O . ALA B 2 248 ? -8.504 -38.650 -29.779 1.00 52.38 ? 249 ALA B O 1 +ATOM 6280 C CB . ALA B 2 248 ? -7.124 -39.162 -26.849 1.00 41.30 ? 249 ALA B CB 1 +ATOM 6281 N N . PHE B 2 249 ? -8.377 -40.842 -29.280 1.00 46.54 ? 250 PHE B N 1 +ATOM 6282 C CA . PHE B 2 249 ? -8.373 -41.229 -30.690 1.00 47.20 ? 250 PHE B CA 1 +ATOM 6283 C C . PHE B 2 249 ? -9.703 -40.888 -31.347 1.00 48.01 ? 250 PHE B C 1 +ATOM 6284 O O . PHE B 2 249 ? -9.736 -40.408 -32.484 1.00 48.49 ? 250 PHE B O 1 +ATOM 6285 C CB . PHE B 2 249 ? -8.072 -42.721 -30.839 1.00 52.50 ? 250 PHE B CB 1 +ATOM 6286 C CG . PHE B 2 249 ? -6.602 -43.051 -30.938 1.00 55.57 ? 250 PHE B CG 1 +ATOM 6287 C CD1 . PHE B 2 249 ? -5.788 -42.417 -31.873 1.00 52.95 ? 250 PHE B CD1 1 +ATOM 6288 C CD2 . PHE B 2 249 ? -6.030 -43.986 -30.087 1.00 48.50 ? 250 PHE B CD2 1 +ATOM 6289 C CE1 . PHE B 2 249 ? -4.430 -42.720 -31.959 1.00 45.90 ? 250 PHE B CE1 1 +ATOM 6290 C CE2 . PHE B 2 249 ? -4.667 -44.304 -30.184 1.00 51.23 ? 250 PHE B CE2 1 +ATOM 6291 C CZ . PHE B 2 249 ? -3.872 -43.668 -31.117 1.00 42.02 ? 250 PHE B CZ 1 +ATOM 6292 N N . VAL B 2 250 ? -10.809 -41.086 -30.631 1.00 47.21 ? 251 VAL B N 1 +ATOM 6293 C CA . VAL B 2 250 ? -12.116 -40.782 -31.205 1.00 52.02 ? 251 VAL B CA 1 +ATOM 6294 C C . VAL B 2 250 ? -12.265 -39.281 -31.460 1.00 43.89 ? 251 VAL B C 1 +ATOM 6295 O O . VAL B 2 250 ? -12.750 -38.871 -32.522 1.00 51.06 ? 251 VAL B O 1 +ATOM 6296 C CB . VAL B 2 250 ? -13.241 -41.323 -30.302 1.00 57.44 ? 251 VAL B CB 1 +ATOM 6297 C CG1 . VAL B 2 250 ? -14.592 -40.775 -30.760 1.00 47.73 ? 251 VAL B CG1 1 +ATOM 6298 C CG2 . VAL B 2 250 ? -13.228 -42.866 -30.279 1.00 48.96 ? 251 VAL B CG2 1 +ATOM 6299 N N . VAL B 2 251 ? -11.837 -38.433 -30.519 1.00 42.64 ? 252 VAL B N 1 +ATOM 6300 C CA . VAL B 2 251 ? -12.025 -37.000 -30.769 1.00 45.47 ? 252 VAL B CA 1 +ATOM 6301 C C . VAL B 2 251 ? -11.063 -36.518 -31.841 1.00 47.15 ? 252 VAL B C 1 +ATOM 6302 O O . VAL B 2 251 ? -11.385 -35.592 -32.580 1.00 49.88 ? 252 VAL B O 1 +ATOM 6303 C CB . VAL B 2 251 ? -11.925 -36.120 -29.494 1.00 55.41 ? 252 VAL B CB 1 +ATOM 6304 C CG1 . VAL B 2 251 ? -13.043 -36.453 -28.479 1.00 44.35 ? 252 VAL B CG1 1 +ATOM 6305 C CG2 . VAL B 2 251 ? -10.538 -36.161 -28.850 1.00 41.14 ? 252 VAL B CG2 1 +ATOM 6306 N N . ALA B 2 252 ? -9.891 -37.146 -31.978 1.00 46.72 ? 253 ALA B N 1 +ATOM 6307 C CA . ALA B 2 252 ? -9.008 -36.799 -33.091 1.00 51.83 ? 253 ALA B CA 1 +ATOM 6308 C C . ALA B 2 252 ? -9.641 -37.175 -34.430 1.00 54.32 ? 253 ALA B C 1 +ATOM 6309 O O . ALA B 2 252 ? -9.563 -36.404 -35.399 1.00 48.29 ? 253 ALA B O 1 +ATOM 6310 C CB . ALA B 2 252 ? -7.636 -37.475 -32.917 1.00 39.72 ? 253 ALA B CB 1 +ATOM 6311 N N . GLY B 2 253 ? -10.279 -38.347 -34.503 1.00 46.71 ? 254 GLY B N 1 +ATOM 6312 C CA . GLY B 2 253 ? -10.941 -38.743 -35.743 1.00 40.27 ? 254 GLY B CA 1 +ATOM 6313 C C . GLY B 2 253 ? -12.126 -37.859 -36.111 1.00 45.20 ? 254 GLY B C 1 +ATOM 6314 O O . GLY B 2 253 ? -12.236 -37.406 -37.249 1.00 44.10 ? 254 GLY B O 1 +ATOM 6315 N N . THR B 2 254 ? -13.030 -37.598 -35.155 1.00 46.01 ? 255 THR B N 1 +ATOM 6316 C CA . THR B 2 254 ? -14.178 -36.753 -35.470 1.00 52.99 ? 255 THR B CA 1 +ATOM 6317 C C . THR B 2 254 ? -13.758 -35.318 -35.793 1.00 55.76 ? 255 THR B C 1 +ATOM 6318 O O . THR B 2 254 ? -14.455 -34.627 -36.542 1.00 45.97 ? 255 THR B O 1 +ATOM 6319 C CB . THR B 2 254 ? -15.206 -36.763 -34.326 1.00 44.62 ? 255 THR B CB 1 +ATOM 6320 O OG1 . THR B 2 254 ? -14.593 -36.326 -33.117 1.00 46.11 ? 255 THR B OG1 1 +ATOM 6321 C CG2 . THR B 2 254 ? -15.780 -38.178 -34.101 1.00 48.85 ? 255 THR B CG2 1 +ATOM 6322 N N . MET B 2 255 ? -12.639 -34.842 -35.242 1.00 47.47 ? 256 MET B N 1 +ATOM 6323 C CA . MET B 2 255 ? -12.182 -33.512 -35.625 1.00 43.45 ? 256 MET B CA 1 +ATOM 6324 C C . MET B 2 255 ? -11.670 -33.521 -37.064 1.00 48.87 ? 256 MET B C 1 +ATOM 6325 O O . MET B 2 255 ? -11.925 -32.583 -37.827 1.00 47.33 ? 256 MET B O 1 +ATOM 6326 C CB . MET B 2 255 ? -11.108 -33.014 -34.649 1.00 43.46 ? 256 MET B CB 1 +ATOM 6327 C CG . MET B 2 255 ? -10.578 -31.609 -34.945 1.00 43.82 ? 256 MET B CG 1 +ATOM 6328 S SD . MET B 2 255 ? -11.843 -30.325 -34.798 1.00 44.82 ? 256 MET B SD 1 +ATOM 6329 C CE . MET B 2 255 ? -12.048 -30.245 -33.021 1.00 38.12 ? 256 MET B CE 1 +ATOM 6330 N N . TRP B 2 256 ? -11.002 -34.600 -37.473 1.00 47.02 ? 257 TRP B N 1 +ATOM 6331 C CA . TRP B 2 256 ? -10.400 -34.613 -38.799 1.00 47.41 ? 257 TRP B CA 1 +ATOM 6332 C C . TRP B 2 256 ? -11.432 -34.862 -39.899 1.00 46.19 ? 257 TRP B C 1 +ATOM 6333 O O . TRP B 2 256 ? -11.404 -34.189 -40.929 1.00 45.24 ? 257 TRP B O 1 +ATOM 6334 C CB . TRP B 2 256 ? -9.283 -35.659 -38.868 1.00 47.18 ? 257 TRP B CB 1 +ATOM 6335 C CG . TRP B 2 256 ? -8.364 -35.445 -40.064 1.00 39.63 ? 257 TRP B CG 1 +ATOM 6336 C CD1 . TRP B 2 256 ? -8.124 -36.314 -41.075 1.00 42.11 ? 257 TRP B CD1 1 +ATOM 6337 C CD2 . TRP B 2 256 ? -7.591 -34.277 -40.343 1.00 38.42 ? 257 TRP B CD2 1 +ATOM 6338 N NE1 . TRP B 2 256 ? -7.237 -35.766 -41.975 1.00 46.77 ? 257 TRP B NE1 1 +ATOM 6339 C CE2 . TRP B 2 256 ? -6.882 -34.519 -41.537 1.00 43.88 ? 257 TRP B CE2 1 +ATOM 6340 C CE3 . TRP B 2 256 ? -7.399 -33.053 -39.675 1.00 43.87 ? 257 TRP B CE3 1 +ATOM 6341 C CZ2 . TRP B 2 256 ? -6.015 -33.567 -42.110 1.00 43.28 ? 257 TRP B CZ2 1 +ATOM 6342 C CZ3 . TRP B 2 256 ? -6.537 -32.106 -40.251 1.00 42.88 ? 257 TRP B CZ3 1 +ATOM 6343 C CH2 . TRP B 2 256 ? -5.853 -32.375 -41.450 1.00 42.43 ? 257 TRP B CH2 1 +ATOM 6344 N N . TYR B 2 257 ? -12.345 -35.816 -39.703 1.00 47.56 ? 258 TYR B N 1 +ATOM 6345 C CA . TYR B 2 257 ? -13.366 -36.103 -40.709 1.00 49.56 ? 258 TYR B CA 1 +ATOM 6346 C C . TYR B 2 257 ? -14.561 -35.162 -40.631 1.00 49.73 ? 258 TYR B C 1 +ATOM 6347 O O . TYR B 2 257 ? -15.314 -35.054 -41.601 1.00 50.60 ? 258 TYR B O 1 +ATOM 6348 C CB . TYR B 2 257 ? -13.852 -37.546 -40.565 1.00 43.64 ? 258 TYR B CB 1 +ATOM 6349 C CG . TYR B 2 257 ? -12.724 -38.526 -40.626 1.00 49.08 ? 258 TYR B CG 1 +ATOM 6350 C CD1 . TYR B 2 257 ? -11.892 -38.596 -41.758 1.00 50.58 ? 258 TYR B CD1 1 +ATOM 6351 C CD2 . TYR B 2 257 ? -12.477 -39.397 -39.565 1.00 52.00 ? 258 TYR B CD2 1 +ATOM 6352 C CE1 . TYR B 2 257 ? -10.835 -39.509 -41.821 1.00 49.92 ? 258 TYR B CE1 1 +ATOM 6353 C CE2 . TYR B 2 257 ? -11.419 -40.308 -39.615 1.00 48.98 ? 258 TYR B CE2 1 +ATOM 6354 C CZ . TYR B 2 257 ? -10.603 -40.348 -40.748 1.00 51.46 ? 258 TYR B CZ 1 +ATOM 6355 O OH . TYR B 2 257 ? -9.561 -41.232 -40.807 1.00 56.56 ? 258 TYR B OH 1 +ATOM 6356 N N . GLY B 2 258 ? -14.746 -34.484 -39.514 1.00 49.06 ? 259 GLY B N 1 +ATOM 6357 C CA . GLY B 2 258 ? -15.960 -33.706 -39.348 1.00 48.91 ? 259 GLY B CA 1 +ATOM 6358 C C . GLY B 2 258 ? -17.068 -34.522 -38.711 1.00 50.23 ? 259 GLY B C 1 +ATOM 6359 O O . GLY B 2 258 ? -17.147 -35.740 -38.845 1.00 49.11 ? 259 GLY B O 1 +ATOM 6360 N N . SER B 2 259 ? -17.940 -33.823 -37.995 1.00 48.43 ? 260 SER B N 1 +ATOM 6361 C CA . SER B 2 259 ? -19.123 -34.392 -37.362 1.00 49.11 ? 260 SER B CA 1 +ATOM 6362 C C . SER B 2 259 ? -19.965 -33.211 -36.889 1.00 55.13 ? 260 SER B C 1 +ATOM 6363 O O . SER B 2 259 ? -19.537 -32.055 -36.961 1.00 45.48 ? 260 SER B O 1 +ATOM 6364 C CB . SER B 2 259 ? -18.761 -35.307 -36.195 1.00 47.89 ? 260 SER B CB 1 +ATOM 6365 O OG . SER B 2 259 ? -18.488 -34.547 -35.035 1.00 52.39 ? 260 SER B OG 1 +ATOM 6366 N N . ALA B 2 260 ? -21.163 -33.516 -36.384 1.00 50.23 ? 261 ALA B N 1 +ATOM 6367 C CA . ALA B 2 260 ? -22.030 -32.472 -35.841 1.00 49.53 ? 261 ALA B CA 1 +ATOM 6368 C C . ALA B 2 260 ? -21.410 -31.717 -34.665 1.00 47.43 ? 261 ALA B C 1 +ATOM 6369 O O . ALA B 2 260 ? -21.900 -30.634 -34.333 1.00 51.95 ? 261 ALA B O 1 +ATOM 6370 C CB . ALA B 2 260 ? -23.378 -33.073 -35.406 1.00 51.84 ? 261 ALA B CB 1 +ATOM 6371 N N . THR B 2 261 ? -20.380 -32.258 -33.994 1.00 49.06 ? 262 THR B N 1 +ATOM 6372 C CA . THR B 2 261 ? -19.758 -31.527 -32.883 1.00 46.14 ? 262 THR B CA 1 +ATOM 6373 C C . THR B 2 261 ? -18.457 -30.827 -33.275 1.00 43.50 ? 262 THR B C 1 +ATOM 6374 O O . THR B 2 261 ? -17.805 -30.238 -32.406 1.00 46.18 ? 262 THR B O 1 +ATOM 6375 C CB . THR B 2 261 ? -19.482 -32.442 -31.667 1.00 49.90 ? 262 THR B CB 1 +ATOM 6376 O OG1 . THR B 2 261 ? -18.409 -33.345 -31.964 1.00 52.04 ? 262 THR B OG1 1 +ATOM 6377 C CG2 . THR B 2 261 ? -20.740 -33.246 -31.234 1.00 48.99 ? 262 THR B CG2 1 +ATOM 6378 N N . THR B 2 262 ? -18.051 -30.874 -34.547 1.00 47.85 ? 263 THR B N 1 +ATOM 6379 C CA . THR B 2 262 ? -16.885 -30.126 -35.025 1.00 50.18 ? 263 THR B CA 1 +ATOM 6380 C C . THR B 2 262 ? -17.285 -29.299 -36.246 1.00 48.14 ? 263 THR B C 1 +ATOM 6381 O O . THR B 2 262 ? -16.824 -29.548 -37.370 1.00 50.08 ? 263 THR B O 1 +ATOM 6382 C CB . THR B 2 262 ? -15.715 -31.068 -35.316 1.00 52.88 ? 263 THR B CB 1 +ATOM 6383 O OG1 . THR B 2 262 ? -16.070 -31.973 -36.351 1.00 49.31 ? 263 THR B OG1 1 +ATOM 6384 C CG2 . THR B 2 262 ? -15.353 -31.899 -34.067 1.00 52.17 ? 263 THR B CG2 1 +ATOM 6385 N N . PRO B 2 263 ? -18.146 -28.297 -36.053 1.00 51.18 ? 264 PRO B N 1 +ATOM 6386 C CA . PRO B 2 263 ? -18.675 -27.526 -37.190 1.00 46.38 ? 264 PRO B CA 1 +ATOM 6387 C C . PRO B 2 263 ? -17.602 -26.692 -37.875 1.00 52.14 ? 264 PRO B C 1 +ATOM 6388 O O . PRO B 2 263 ? -16.646 -26.234 -37.241 1.00 52.40 ? 264 PRO B O 1 +ATOM 6389 C CB . PRO B 2 263 ? -19.726 -26.609 -36.541 1.00 51.02 ? 264 PRO B CB 1 +ATOM 6390 C CG . PRO B 2 263 ? -19.865 -27.038 -35.145 1.00 52.43 ? 264 PRO B CG 1 +ATOM 6391 C CD . PRO B 2 263 ? -18.621 -27.771 -34.765 1.00 51.77 ? 264 PRO B CD 1 +ATOM 6392 N N . ILE B 2 264 ? -17.798 -26.441 -39.174 1.00 45.77 ? 265 ILE B N 1 +ATOM 6393 C CA . ILE B 2 264 ? -16.744 -25.771 -39.931 1.00 45.04 ? 265 ILE B CA 1 +ATOM 6394 C C . ILE B 2 264 ? -16.670 -24.278 -39.619 1.00 50.93 ? 265 ILE B C 1 +ATOM 6395 O O . ILE B 2 264 ? -15.612 -23.664 -39.801 1.00 47.31 ? 265 ILE B O 1 +ATOM 6396 C CB . ILE B 2 264 ? -16.874 -25.992 -41.453 1.00 51.62 ? 265 ILE B CB 1 +ATOM 6397 C CG1 . ILE B 2 264 ? -18.107 -25.296 -42.029 1.00 55.18 ? 265 ILE B CG1 1 +ATOM 6398 C CG2 . ILE B 2 264 ? -16.852 -27.484 -41.812 1.00 49.89 ? 265 ILE B CG2 1 +ATOM 6399 C CD1 . ILE B 2 264 ? -18.200 -25.399 -43.546 1.00 54.13 ? 265 ILE B CD1 1 +ATOM 6400 N N . GLU B 2 265 ? -17.751 -23.667 -39.129 1.00 45.99 ? 266 GLU B N 1 +ATOM 6401 C CA . GLU B 2 265 ? -17.676 -22.255 -38.786 1.00 44.41 ? 266 GLU B CA 1 +ATOM 6402 C C . GLU B 2 265 ? -16.873 -22.004 -37.513 1.00 45.52 ? 266 GLU B C 1 +ATOM 6403 O O . GLU B 2 265 ? -16.403 -20.885 -37.307 1.00 45.84 ? 266 GLU B O 1 +ATOM 6404 C CB . GLU B 2 265 ? -19.081 -21.682 -38.667 1.00 50.66 ? 266 GLU B CB 1 +ATOM 6405 C CG . GLU B 2 265 ? -19.771 -21.490 -40.028 1.00 49.65 ? 266 GLU B CG 1 +ATOM 6406 C CD . GLU B 2 265 ? -21.291 -21.376 -39.897 1.00 58.89 ? 266 GLU B CD 1 +ATOM 6407 O OE1 . GLU B 2 265 ? -21.925 -22.396 -39.524 1.00 53.66 ? 266 GLU B OE1 1 +ATOM 6408 O OE2 . GLU B 2 265 ? -21.838 -20.265 -40.138 1.00 54.69 ? 266 GLU B OE2 1 +ATOM 6409 N N . LEU B 2 266 ? -16.671 -23.027 -36.681 1.00 49.02 ? 267 LEU B N 1 +ATOM 6410 C CA . LEU B 2 266 ? -15.899 -22.911 -35.452 1.00 51.49 ? 267 LEU B CA 1 +ATOM 6411 C C . LEU B 2 266 ? -14.465 -23.401 -35.607 1.00 49.55 ? 267 LEU B C 1 +ATOM 6412 O O . LEU B 2 266 ? -13.546 -22.797 -35.046 1.00 49.11 ? 267 LEU B O 1 +ATOM 6413 C CB . LEU B 2 266 ? -16.584 -23.688 -34.319 1.00 46.67 ? 267 LEU B CB 1 +ATOM 6414 C CG . LEU B 2 266 ? -18.023 -23.287 -33.988 1.00 50.67 ? 267 LEU B CG 1 +ATOM 6415 C CD1 . LEU B 2 266 ? -18.479 -23.991 -32.708 1.00 47.11 ? 267 LEU B CD1 1 +ATOM 6416 C CD2 . LEU B 2 266 ? -18.147 -21.777 -33.838 1.00 45.32 ? 267 LEU B CD2 1 +ATOM 6417 N N . PHE B 2 267 ? -14.239 -24.460 -36.380 1.00 43.73 ? 268 PHE B N 1 +ATOM 6418 C CA . PHE B 2 267 ? -12.910 -25.031 -36.508 1.00 43.38 ? 268 PHE B CA 1 +ATOM 6419 C C . PHE B 2 267 ? -12.333 -24.933 -37.914 1.00 50.21 ? 268 PHE B C 1 +ATOM 6420 O O . PHE B 2 267 ? -11.152 -25.249 -38.099 1.00 48.12 ? 268 PHE B O 1 +ATOM 6421 C CB . PHE B 2 267 ? -12.926 -26.507 -36.055 1.00 43.71 ? 268 PHE B CB 1 +ATOM 6422 C CG . PHE B 2 267 ? -13.351 -26.689 -34.632 1.00 45.58 ? 268 PHE B CG 1 +ATOM 6423 C CD1 . PHE B 2 267 ? -12.469 -26.423 -33.599 1.00 50.58 ? 268 PHE B CD1 1 +ATOM 6424 C CD2 . PHE B 2 267 ? -14.636 -27.117 -34.320 1.00 56.32 ? 268 PHE B CD2 1 +ATOM 6425 C CE1 . PHE B 2 267 ? -12.853 -26.599 -32.257 1.00 46.55 ? 268 PHE B CE1 1 +ATOM 6426 C CE2 . PHE B 2 267 ? -15.035 -27.290 -32.989 1.00 45.79 ? 268 PHE B CE2 1 +ATOM 6427 C CZ . PHE B 2 267 ? -14.139 -27.021 -31.957 1.00 49.10 ? 268 PHE B CZ 1 +ATOM 6428 N N . GLY B 2 268 ? -13.116 -24.498 -38.901 1.00 48.48 ? 269 GLY B N 1 +ATOM 6429 C CA . GLY B 2 268 ? -12.653 -24.438 -40.264 1.00 45.84 ? 269 GLY B CA 1 +ATOM 6430 C C . GLY B 2 268 ? -13.083 -25.649 -41.069 1.00 47.42 ? 269 GLY B C 1 +ATOM 6431 O O . GLY B 2 268 ? -13.539 -26.661 -40.526 1.00 50.76 ? 269 GLY B O 1 +ATOM 6432 N N . PRO B 2 269 ? -12.949 -25.562 -42.389 1.00 50.85 ? 270 PRO B N 1 +ATOM 6433 C CA . PRO B 2 269 ? -13.268 -26.713 -43.246 1.00 48.05 ? 270 PRO B CA 1 +ATOM 6434 C C . PRO B 2 269 ? -12.339 -27.899 -43.002 1.00 55.95 ? 270 PRO B C 1 +ATOM 6435 O O . PRO B 2 269 ? -11.283 -27.787 -42.381 1.00 50.19 ? 270 PRO B O 1 +ATOM 6436 C CB . PRO B 2 269 ? -13.111 -26.152 -44.672 1.00 46.67 ? 270 PRO B CB 1 +ATOM 6437 C CG . PRO B 2 269 ? -12.315 -24.916 -44.541 1.00 42.76 ? 270 PRO B CG 1 +ATOM 6438 C CD . PRO B 2 269 ? -12.539 -24.371 -43.158 1.00 45.65 ? 270 PRO B CD 1 +ATOM 6439 N N . THR B 2 270 ? -12.764 -29.065 -43.487 1.00 48.22 ? 271 THR B N 1 +ATOM 6440 C CA . THR B 2 270 ? -11.940 -30.258 -43.407 1.00 49.68 ? 271 THR B CA 1 +ATOM 6441 C C . THR B 2 270 ? -11.135 -30.391 -44.686 1.00 47.65 ? 271 THR B C 1 +ATOM 6442 O O . THR B 2 270 ? -11.412 -29.732 -45.685 1.00 45.35 ? 271 THR B O 1 +ATOM 6443 C CB . THR B 2 270 ? -12.783 -31.527 -43.197 1.00 53.33 ? 271 THR B CB 1 +ATOM 6444 O OG1 . THR B 2 270 ? -13.408 -31.895 -44.446 1.00 50.38 ? 271 THR B OG1 1 +ATOM 6445 C CG2 . THR B 2 270 ? -13.831 -31.303 -42.137 1.00 48.18 ? 271 THR B CG2 1 +ATOM 6446 N N . ARG B 2 271 ? -10.127 -31.268 -44.646 1.00 41.40 ? 272 ARG B N 1 +ATOM 6447 C CA . ARG B 2 271 ? -9.348 -31.505 -45.853 1.00 46.22 ? 272 ARG B CA 1 +ATOM 6448 C C . ARG B 2 271 ? -10.184 -32.209 -46.905 1.00 48.30 ? 272 ARG B C 1 +ATOM 6449 O O . ARG B 2 271 ? -9.960 -32.006 -48.097 1.00 47.57 ? 272 ARG B O 1 +ATOM 6450 C CB . ARG B 2 271 ? -8.082 -32.323 -45.554 1.00 44.82 ? 272 ARG B CB 1 +ATOM 6451 C CG . ARG B 2 271 ? -8.310 -33.831 -45.265 1.00 44.32 ? 272 ARG B CG 1 +ATOM 6452 C CD . ARG B 2 271 ? -7.088 -34.657 -45.624 1.00 42.01 ? 272 ARG B CD 1 +ATOM 6453 N NE . ARG B 2 271 ? -7.014 -34.869 -47.062 1.00 44.21 ? 272 ARG B NE 1 +ATOM 6454 C CZ . ARG B 2 271 ? -5.890 -35.124 -47.714 1.00 49.79 ? 272 ARG B CZ 1 +ATOM 6455 N NH1 . ARG B 2 271 ? -4.730 -35.228 -47.081 1.00 45.33 ? 272 ARG B NH1 1 +ATOM 6456 N NH2 . ARG B 2 271 ? -5.926 -35.267 -49.037 1.00 42.80 ? 272 ARG B NH2 1 +ATOM 6457 N N . TYR B 2 272 ? -11.151 -33.031 -46.484 1.00 50.00 ? 273 TYR B N 1 +ATOM 6458 C CA . TYR B 2 272 ? -11.893 -33.856 -47.427 1.00 46.40 ? 273 TYR B CA 1 +ATOM 6459 C C . TYR B 2 272 ? -12.853 -33.029 -48.253 1.00 48.95 ? 273 TYR B C 1 +ATOM 6460 O O . TYR B 2 272 ? -13.160 -33.411 -49.383 1.00 55.06 ? 273 TYR B O 1 +ATOM 6461 C CB . TYR B 2 272 ? -12.608 -34.984 -46.679 1.00 45.26 ? 273 TYR B CB 1 +ATOM 6462 C CG . TYR B 2 272 ? -11.595 -35.827 -45.931 1.00 54.75 ? 273 TYR B CG 1 +ATOM 6463 C CD1 . TYR B 2 272 ? -10.822 -36.753 -46.608 1.00 43.05 ? 273 TYR B CD1 1 +ATOM 6464 C CD2 . TYR B 2 272 ? -11.361 -35.640 -44.566 1.00 42.39 ? 273 TYR B CD2 1 +ATOM 6465 C CE1 . TYR B 2 272 ? -9.875 -37.501 -45.953 1.00 48.21 ? 273 TYR B CE1 1 +ATOM 6466 C CE2 . TYR B 2 272 ? -10.406 -36.388 -43.898 1.00 47.16 ? 273 TYR B CE2 1 +ATOM 6467 C CZ . TYR B 2 272 ? -9.659 -37.311 -44.605 1.00 47.54 ? 273 TYR B CZ 1 +ATOM 6468 O OH . TYR B 2 272 ? -8.698 -38.052 -43.963 1.00 47.91 ? 273 TYR B OH 1 +ATOM 6469 N N . GLN B 2 273 ? -13.275 -31.871 -47.741 1.00 51.60 ? 274 GLN B N 1 +ATOM 6470 C CA . GLN B 2 273 ? -14.107 -30.979 -48.528 1.00 47.68 ? 274 GLN B CA 1 +ATOM 6471 C C . GLN B 2 273 ? -13.343 -30.361 -49.697 1.00 55.08 ? 274 GLN B C 1 +ATOM 6472 O O . GLN B 2 273 ? -13.967 -29.986 -50.697 1.00 46.78 ? 274 GLN B O 1 +ATOM 6473 C CB . GLN B 2 273 ? -14.698 -29.917 -47.618 1.00 42.12 ? 274 GLN B CB 1 +ATOM 6474 C CG . GLN B 2 273 ? -15.782 -30.455 -46.726 1.00 45.81 ? 274 GLN B CG 1 +ATOM 6475 C CD . GLN B 2 273 ? -16.102 -29.503 -45.593 1.00 56.45 ? 274 GLN B CD 1 +ATOM 6476 O OE1 . GLN B 2 273 ? -15.204 -28.864 -45.035 1.00 51.45 ? 274 GLN B OE1 1 +ATOM 6477 N NE2 . GLN B 2 273 ? -17.389 -29.389 -45.255 1.00 51.24 ? 274 GLN B NE2 1 +ATOM 6478 N N . TRP B 2 274 ? -12.011 -30.265 -49.603 1.00 49.36 ? 275 TRP B N 1 +ATOM 6479 C CA . TRP B 2 274 ? -11.217 -29.880 -50.766 1.00 46.90 ? 275 TRP B CA 1 +ATOM 6480 C C . TRP B 2 274 ? -10.989 -31.062 -51.706 1.00 52.02 ? 275 TRP B C 1 +ATOM 6481 O O . TRP B 2 274 ? -11.074 -30.904 -52.926 1.00 56.50 ? 275 TRP B O 1 +ATOM 6482 C CB . TRP B 2 274 ? -9.874 -29.287 -50.323 1.00 46.73 ? 275 TRP B CB 1 +ATOM 6483 C CG . TRP B 2 274 ? -8.958 -28.910 -51.497 1.00 46.95 ? 275 TRP B CG 1 +ATOM 6484 C CD1 . TRP B 2 274 ? -7.910 -29.637 -52.001 1.00 41.98 ? 275 TRP B CD1 1 +ATOM 6485 C CD2 . TRP B 2 274 ? -9.029 -27.715 -52.288 1.00 47.25 ? 275 TRP B CD2 1 +ATOM 6486 N NE1 . TRP B 2 274 ? -7.321 -28.958 -53.045 1.00 46.31 ? 275 TRP B NE1 1 +ATOM 6487 C CE2 . TRP B 2 274 ? -8.000 -27.786 -53.253 1.00 46.50 ? 275 TRP B CE2 1 +ATOM 6488 C CE3 . TRP B 2 274 ? -9.858 -26.588 -52.267 1.00 45.99 ? 275 TRP B CE3 1 +ATOM 6489 C CZ2 . TRP B 2 274 ? -7.774 -26.766 -54.182 1.00 41.42 ? 275 TRP B CZ2 1 +ATOM 6490 C CZ3 . TRP B 2 274 ? -9.647 -25.592 -53.208 1.00 43.68 ? 275 TRP B CZ3 1 +ATOM 6491 C CH2 . TRP B 2 274 ? -8.618 -25.699 -54.162 1.00 43.37 ? 275 TRP B CH2 1 +ATOM 6492 N N . ASP B 2 275 ? -10.697 -32.253 -51.155 1.00 46.95 ? 276 ASP B N 1 +ATOM 6493 C CA . ASP B 2 275 ? -10.451 -33.435 -51.980 1.00 53.71 ? 276 ASP B CA 1 +ATOM 6494 C C . ASP B 2 275 ? -11.612 -33.715 -52.926 1.00 55.19 ? 276 ASP B C 1 +ATOM 6495 O O . ASP B 2 275 ? -11.404 -34.120 -54.076 1.00 52.84 ? 276 ASP B O 1 +ATOM 6496 C CB . ASP B 2 275 ? -10.217 -34.671 -51.100 1.00 50.80 ? 276 ASP B CB 1 +ATOM 6497 C CG . ASP B 2 275 ? -8.939 -34.585 -50.277 1.00 49.99 ? 276 ASP B CG 1 +ATOM 6498 O OD1 . ASP B 2 275 ? -7.948 -33.979 -50.746 1.00 54.96 ? 276 ASP B OD1 1 +ATOM 6499 O OD2 . ASP B 2 275 ? -8.930 -35.145 -49.164 1.00 54.55 ? 276 ASP B OD2 1 +ATOM 6500 N N . SER B 2 276 ? -12.842 -33.532 -52.456 1.00 48.52 ? 277 SER B N 1 +ATOM 6501 C CA . SER B 2 276 ? -14.003 -33.861 -53.263 1.00 54.20 ? 277 SER B CA 1 +ATOM 6502 C C . SER B 2 276 ? -14.679 -32.636 -53.865 1.00 52.44 ? 277 SER B C 1 +ATOM 6503 O O . SER B 2 276 ? -15.780 -32.762 -54.403 1.00 56.74 ? 277 SER B O 1 +ATOM 6504 C CB . SER B 2 276 ? -14.998 -34.671 -52.431 1.00 54.84 ? 277 SER B CB 1 +ATOM 6505 O OG . SER B 2 276 ? -15.582 -33.858 -51.453 1.00 62.43 ? 277 SER B OG 1 +ATOM 6506 N N . SER B 2 277 ? -14.039 -31.464 -53.807 1.00 49.60 ? 278 SER B N 1 +ATOM 6507 C CA . SER B 2 277 ? -14.607 -30.216 -54.333 1.00 51.49 ? 278 SER B CA 1 +ATOM 6508 C C . SER B 2 277 ? -16.031 -30.003 -53.828 1.00 53.90 ? 278 SER B C 1 +ATOM 6509 O O . SER B 2 277 ? -16.934 -29.620 -54.576 1.00 56.46 ? 278 SER B O 1 +ATOM 6510 C CB . SER B 2 277 ? -14.557 -30.179 -55.862 1.00 55.28 ? 278 SER B CB 1 +ATOM 6511 O OG . SER B 2 277 ? -13.290 -30.603 -56.336 1.00 56.39 ? 278 SER B OG 1 +ATOM 6512 N N . TYR B 2 278 ? -16.212 -30.256 -52.533 1.00 52.30 ? 279 TYR B N 1 +ATOM 6513 C CA . TYR B 2 278 ? -17.517 -30.159 -51.892 1.00 48.42 ? 279 TYR B CA 1 +ATOM 6514 C C . TYR B 2 278 ? -18.127 -28.773 -52.084 1.00 55.68 ? 279 TYR B C 1 +ATOM 6515 O O . TYR B 2 278 ? -19.289 -28.650 -52.484 1.00 54.45 ? 279 TYR B O 1 +ATOM 6516 C CB . TYR B 2 278 ? -17.357 -30.506 -50.406 1.00 44.67 ? 279 TYR B CB 1 +ATOM 6517 C CG . TYR B 2 278 ? -18.615 -30.402 -49.581 1.00 55.06 ? 279 TYR B CG 1 +ATOM 6518 C CD1 . TYR B 2 278 ? -19.596 -31.393 -49.636 1.00 58.42 ? 279 TYR B CD1 1 +ATOM 6519 C CD2 . TYR B 2 278 ? -18.813 -29.332 -48.723 1.00 52.09 ? 279 TYR B CD2 1 +ATOM 6520 C CE1 . TYR B 2 278 ? -20.743 -31.307 -48.868 1.00 50.46 ? 279 TYR B CE1 1 +ATOM 6521 C CE2 . TYR B 2 278 ? -19.955 -29.230 -47.964 1.00 54.83 ? 279 TYR B CE2 1 +ATOM 6522 C CZ . TYR B 2 278 ? -20.920 -30.221 -48.042 1.00 57.82 ? 279 TYR B CZ 1 +ATOM 6523 O OH . TYR B 2 278 ? -22.063 -30.118 -47.281 1.00 62.35 ? 279 TYR B OH 1 +ATOM 6524 N N . PHE B 2 279 ? -17.357 -27.712 -51.794 1.00 53.63 ? 280 PHE B N 1 +ATOM 6525 C CA . PHE B 2 279 ? -17.891 -26.357 -51.923 1.00 54.46 ? 280 PHE B CA 1 +ATOM 6526 C C . PHE B 2 279 ? -17.964 -25.927 -53.380 1.00 53.95 ? 280 PHE B C 1 +ATOM 6527 O O . PHE B 2 279 ? -18.867 -25.176 -53.753 1.00 53.59 ? 280 PHE B O 1 +ATOM 6528 C CB . PHE B 2 279 ? -17.059 -25.349 -51.123 1.00 57.76 ? 280 PHE B CB 1 +ATOM 6529 C CG . PHE B 2 279 ? -17.048 -25.632 -49.661 1.00 55.71 ? 280 PHE B CG 1 +ATOM 6530 C CD1 . PHE B 2 279 ? -18.158 -25.345 -48.884 1.00 48.76 ? 280 PHE B CD1 1 +ATOM 6531 C CD2 . PHE B 2 279 ? -15.951 -26.253 -49.070 1.00 48.08 ? 280 PHE B CD2 1 +ATOM 6532 C CE1 . PHE B 2 279 ? -18.172 -25.639 -47.522 1.00 51.67 ? 280 PHE B CE1 1 +ATOM 6533 C CE2 . PHE B 2 279 ? -15.948 -26.557 -47.719 1.00 51.46 ? 280 PHE B CE2 1 +ATOM 6534 C CZ . PHE B 2 279 ? -17.061 -26.247 -46.934 1.00 45.06 ? 280 PHE B CZ 1 +ATOM 6535 N N . GLN B 2 280 ? -17.033 -26.394 -54.217 1.00 54.69 ? 281 GLN B N 1 +ATOM 6536 C CA . GLN B 2 280 ? -17.041 -25.978 -55.610 1.00 54.95 ? 281 GLN B CA 1 +ATOM 6537 C C . GLN B 2 280 ? -18.286 -26.482 -56.330 1.00 63.74 ? 281 GLN B C 1 +ATOM 6538 O O . GLN B 2 280 ? -18.813 -25.799 -57.218 1.00 58.98 ? 281 GLN B O 1 +ATOM 6539 C CB . GLN B 2 280 ? -15.779 -26.473 -56.308 1.00 55.33 ? 281 GLN B CB 1 +ATOM 6540 C CG . GLN B 2 280 ? -15.653 -25.939 -57.733 1.00 63.63 ? 281 GLN B CG 1 +ATOM 6541 C CD . GLN B 2 280 ? -14.641 -26.696 -58.550 1.00 55.67 ? 281 GLN B CD 1 +ATOM 6542 O OE1 . GLN B 2 280 ? -14.380 -27.872 -58.295 1.00 79.15 ? 281 GLN B OE1 1 +ATOM 6543 N NE2 . GLN B 2 280 ? -14.051 -26.028 -59.527 1.00 65.89 ? 281 GLN B NE2 1 +ATOM 6544 N N . GLN B 2 281 ? -18.768 -27.668 -55.952 1.00 60.33 ? 282 GLN B N 1 +ATOM 6545 C CA . GLN B 2 281 ? -19.967 -28.228 -56.564 1.00 60.92 ? 282 GLN B CA 1 +ATOM 6546 C C . GLN B 2 281 ? -21.210 -27.444 -56.180 1.00 66.52 ? 282 GLN B C 1 +ATOM 6547 O O . GLN B 2 281 ? -22.114 -27.263 -57.001 1.00 62.75 ? 282 GLN B O 1 +ATOM 6548 C CB . GLN B 2 281 ? -20.114 -29.680 -56.153 1.00 50.64 ? 282 GLN B CB 1 +ATOM 6549 C CG . GLN B 2 281 ? -19.247 -30.594 -56.985 1.00 55.28 ? 282 GLN B CG 1 +ATOM 6550 C CD . GLN B 2 281 ? -19.187 -31.974 -56.412 1.00 80.58 ? 282 GLN B CD 1 +ATOM 6551 O OE1 . GLN B 2 281 ? -20.101 -32.405 -55.704 1.00 84.09 ? 282 GLN B OE1 1 +ATOM 6552 N NE2 . GLN B 2 281 ? -18.099 -32.680 -56.691 1.00 95.71 ? 282 GLN B NE2 1 +ATOM 6553 N N . GLU B 2 282 ? -21.283 -26.992 -54.931 1.00 56.53 ? 283 GLU B N 1 +ATOM 6554 C CA . GLU B 2 282 ? -22.436 -26.218 -54.500 1.00 56.11 ? 283 GLU B CA 1 +ATOM 6555 C C . GLU B 2 282 ? -22.450 -24.853 -55.171 1.00 62.38 ? 283 GLU B C 1 +ATOM 6556 O O . GLU B 2 282 ? -23.518 -24.315 -55.486 1.00 57.44 ? 283 GLU B O 1 +ATOM 6557 C CB . GLU B 2 282 ? -22.421 -26.074 -52.975 1.00 49.00 ? 283 GLU B CB 1 +ATOM 6558 C CG . GLU B 2 282 ? -23.472 -25.117 -52.427 1.00 55.87 ? 283 GLU B CG 1 +ATOM 6559 C CD . GLU B 2 282 ? -24.893 -25.566 -52.745 1.00 62.77 ? 283 GLU B CD 1 +ATOM 6560 O OE1 . GLU B 2 282 ? -25.096 -26.747 -53.114 1.00 67.02 ? 283 GLU B OE1 1 +ATOM 6561 O OE2 . GLU B 2 282 ? -25.807 -24.732 -52.626 1.00 64.92 ? 283 GLU B OE2 1 +ATOM 6562 N N . ILE B 2 283 ? -21.265 -24.279 -55.371 1.00 61.73 ? 284 ILE B N 1 +ATOM 6563 C CA . ILE B 2 283 ? -21.141 -22.999 -56.052 1.00 59.24 ? 284 ILE B CA 1 +ATOM 6564 C C . ILE B 2 283 ? -21.628 -23.120 -57.491 1.00 56.36 ? 284 ILE B C 1 +ATOM 6565 O O . ILE B 2 283 ? -22.420 -22.301 -57.971 1.00 61.53 ? 284 ILE B O 1 +ATOM 6566 C CB . ILE B 2 283 ? -19.682 -22.517 -55.981 1.00 56.58 ? 284 ILE B CB 1 +ATOM 6567 C CG1 . ILE B 2 283 ? -19.368 -22.027 -54.561 1.00 55.56 ? 284 ILE B CG1 1 +ATOM 6568 C CG2 . ILE B 2 283 ? -19.399 -21.459 -57.071 1.00 51.37 ? 284 ILE B CG2 1 +ATOM 6569 C CD1 . ILE B 2 283 ? -17.915 -21.696 -54.331 1.00 51.59 ? 284 ILE B CD1 1 +ATOM 6570 N N . ASN B 2 284 ? -21.156 -24.155 -58.193 1.00 54.39 ? 285 ASN B N 1 +ATOM 6571 C CA . ASN B 2 284 ? -21.544 -24.372 -59.578 1.00 53.97 ? 285 ASN B CA 1 +ATOM 6572 C C . ASN B 2 284 ? -23.041 -24.622 -59.694 1.00 74.06 ? 285 ASN B C 1 +ATOM 6573 O O . ASN B 2 284 ? -23.702 -24.063 -60.579 1.00 64.93 ? 285 ASN B O 1 +ATOM 6574 C CB . ASN B 2 284 ? -20.758 -25.546 -60.168 1.00 60.19 ? 285 ASN B CB 1 +ATOM 6575 C CG . ASN B 2 284 ? -19.292 -25.209 -60.425 1.00 85.89 ? 285 ASN B CG 1 +ATOM 6576 O OD1 . ASN B 2 284 ? -18.907 -24.034 -60.505 1.00 85.33 ? 285 ASN B OD1 1 +ATOM 6577 N ND2 . ASN B 2 284 ? -18.466 -26.244 -60.569 1.00 81.57 ? 285 ASN B ND2 1 +ATOM 6578 N N . ARG B 2 285 ? -23.595 -25.454 -58.801 1.00 59.52 ? 286 ARG B N 1 +ATOM 6579 C CA . ARG B 2 285 ? -25.032 -25.705 -58.801 1.00 71.87 ? 286 ARG B CA 1 +ATOM 6580 C C . ARG B 2 285 ? -25.825 -24.400 -58.699 1.00 76.19 ? 286 ARG B C 1 +ATOM 6581 O O . ARG B 2 285 ? -26.807 -24.203 -59.423 1.00 74.45 ? 286 ARG B O 1 +ATOM 6582 C CB . ARG B 2 285 ? -25.396 -26.653 -57.660 1.00 58.08 ? 286 ARG B CB 1 +ATOM 6583 C CG . ARG B 2 285 ? -26.846 -27.081 -57.648 1.00 77.75 ? 286 ARG B CG 1 +ATOM 6584 C CD . ARG B 2 285 ? -27.264 -27.716 -56.319 1.00 86.58 ? 286 ARG B CD 1 +ATOM 6585 N NE . ARG B 2 285 ? -27.296 -26.735 -55.236 1.00 84.05 ? 286 ARG B NE 1 +ATOM 6586 C CZ . ARG B 2 285 ? -28.265 -25.845 -55.046 1.00 84.13 ? 286 ARG B CZ 1 +ATOM 6587 N NH1 . ARG B 2 285 ? -29.341 -25.815 -55.818 1.00 123.71 ? 286 ARG B NH1 1 +ATOM 6588 N NH2 . ARG B 2 285 ? -28.142 -24.949 -54.071 1.00 65.34 ? 286 ARG B NH2 1 +ATOM 6589 N N . ARG B 2 286 ? -25.399 -23.486 -57.826 1.00 62.30 ? 287 ARG B N 1 +ATOM 6590 C CA . ARG B 2 286 ? -26.120 -22.227 -57.662 1.00 73.18 ? 287 ARG B CA 1 +ATOM 6591 C C . ARG B 2 286 ? -26.003 -21.352 -58.897 1.00 73.54 ? 287 ARG B C 1 +ATOM 6592 O O . ARG B 2 286 ? -26.932 -20.604 -59.222 1.00 75.46 ? 287 ARG B O 1 +ATOM 6593 C CB . ARG B 2 286 ? -25.592 -21.460 -56.450 1.00 57.58 ? 287 ARG B CB 1 +ATOM 6594 C CG . ARG B 2 286 ? -25.825 -22.155 -55.185 1.00 63.07 ? 287 ARG B CG 1 +ATOM 6595 C CD . ARG B 2 286 ? -25.486 -21.270 -54.054 1.00 61.04 ? 287 ARG B CD 1 +ATOM 6596 N NE . ARG B 2 286 ? -25.719 -21.977 -52.810 1.00 71.44 ? 287 ARG B NE 1 +ATOM 6597 C CZ . ARG B 2 286 ? -25.931 -21.386 -51.647 1.00 75.40 ? 287 ARG B CZ 1 +ATOM 6598 N NH1 . ARG B 2 286 ? -26.012 -20.065 -51.551 1.00 69.31 ? 287 ARG B NH1 1 +ATOM 6599 N NH2 . ARG B 2 286 ? -26.065 -22.140 -50.557 1.00 68.81 ? 287 ARG B NH2 1 +ATOM 6600 N N . VAL B 2 287 ? -24.849 -21.394 -59.562 1.00 70.95 ? 288 VAL B N 1 +ATOM 6601 C CA . VAL B 2 287 ? -24.640 -20.566 -60.743 1.00 79.02 ? 288 VAL B CA 1 +ATOM 6602 C C . VAL B 2 287 ? -25.438 -21.119 -61.919 1.00 80.54 ? 288 VAL B C 1 +ATOM 6603 O O . VAL B 2 287 ? -26.042 -20.357 -62.681 1.00 80.93 ? 288 VAL B O 1 +ATOM 6604 C CB . VAL B 2 287 ? -23.134 -20.458 -61.050 1.00 58.74 ? 288 VAL B CB 1 +ATOM 6605 C CG1 . VAL B 2 287 ? -22.895 -19.899 -62.434 1.00 64.50 ? 288 VAL B CG1 1 +ATOM 6606 C CG2 . VAL B 2 287 ? -22.458 -19.596 -60.014 1.00 53.95 ? 288 VAL B CG2 1 +ATOM 6607 N N . GLN B 2 288 ? -25.466 -22.450 -62.072 1.00 77.79 ? 289 GLN B N 1 +ATOM 6608 C CA . GLN B 2 288 ? -26.369 -23.083 -63.033 1.00 68.39 ? 289 GLN B CA 1 +ATOM 6609 C C . GLN B 2 288 ? -27.808 -22.658 -62.792 1.00 79.82 ? 289 GLN B C 1 +ATOM 6610 O O . GLN B 2 288 ? -28.529 -22.307 -63.730 1.00 88.07 ? 289 GLN B O 1 +ATOM 6611 C CB . GLN B 2 288 ? -26.278 -24.604 -62.948 1.00 63.81 ? 289 GLN B CB 1 +ATOM 6612 C CG . GLN B 2 288 ? -24.920 -25.166 -63.208 1.00 86.97 ? 289 GLN B CG 1 +ATOM 6613 C CD . GLN B 2 288 ? -24.200 -24.393 -64.271 1.00 108.55 ? 289 GLN B CD 1 +ATOM 6614 O OE1 . GLN B 2 288 ? -24.568 -24.437 -65.447 1.00 127.25 ? 289 GLN B OE1 1 +ATOM 6615 N NE2 . GLN B 2 288 ? -23.171 -23.652 -63.867 1.00 125.78 ? 289 GLN B NE2 1 +ATOM 6616 N N . ALA B 2 289 ? -28.250 -22.701 -61.533 1.00 66.62 ? 290 ALA B N 1 +ATOM 6617 C CA . ALA B 2 289 ? -29.631 -22.351 -61.236 1.00 80.35 ? 290 ALA B CA 1 +ATOM 6618 C C . ALA B 2 289 ? -29.938 -20.923 -61.673 1.00 91.22 ? 290 ALA B C 1 +ATOM 6619 O O . ALA B 2 289 ? -30.991 -20.661 -62.266 1.00 91.10 ? 290 ALA B O 1 +ATOM 6620 C CB . ALA B 2 289 ? -29.915 -22.544 -59.749 1.00 69.13 ? 290 ALA B CB 1 +ATOM 6621 N N . SER B 2 290 ? -29.017 -19.992 -61.415 1.00 84.34 ? 291 SER B N 1 +ATOM 6622 C CA . SER B 2 290 ? -29.218 -18.615 -61.854 1.00 76.58 ? 291 SER B CA 1 +ATOM 6623 C C . SER B 2 290 ? -29.225 -18.517 -63.378 1.00 89.14 ? 291 SER B C 1 +ATOM 6624 O O . SER B 2 290 ? -30.146 -17.937 -63.965 1.00 77.68 ? 291 SER B O 1 +ATOM 6625 C CB . SER B 2 290 ? -28.141 -17.712 -61.253 1.00 74.63 ? 291 SER B CB 1 +ATOM 6626 O OG . SER B 2 290 ? -28.435 -17.391 -59.901 1.00 77.83 ? 291 SER B OG 1 +ATOM 6627 N N . LEU B 2 291 ? -28.202 -19.078 -64.031 1.00 77.72 ? 292 LEU B N 1 +ATOM 6628 C CA . LEU B 2 291 ? -28.126 -19.049 -65.488 1.00 77.46 ? 292 LEU B CA 1 +ATOM 6629 C C . LEU B 2 291 ? -29.364 -19.680 -66.109 1.00 89.02 ? 292 LEU B C 1 +ATOM 6630 O O . LEU B 2 291 ? -29.959 -19.127 -67.040 1.00 96.72 ? 292 LEU B O 1 +ATOM 6631 C CB . LEU B 2 291 ? -26.868 -19.772 -65.963 1.00 63.44 ? 292 LEU B CB 1 +ATOM 6632 C CG . LEU B 2 291 ? -25.554 -19.058 -65.668 1.00 68.64 ? 292 LEU B CG 1 +ATOM 6633 C CD1 . LEU B 2 291 ? -24.387 -19.867 -66.193 1.00 73.72 ? 292 LEU B CD1 1 +ATOM 6634 C CD2 . LEU B 2 291 ? -25.546 -17.671 -66.251 1.00 63.43 ? 292 LEU B CD2 1 +ATOM 6635 N N . ALA B 2 292 ? -29.761 -20.846 -65.603 1.00 93.75 ? 293 ALA B N 1 +ATOM 6636 C CA . ALA B 2 292 ? -30.991 -21.475 -66.062 1.00 84.56 ? 293 ALA B CA 1 +ATOM 6637 C C . ALA B 2 292 ? -32.189 -20.558 -65.872 1.00 86.55 ? 293 ALA B C 1 +ATOM 6638 O O . ALA B 2 292 ? -33.129 -20.597 -66.671 1.00 118.19 ? 293 ALA B O 1 +ATOM 6639 C CB . ALA B 2 292 ? -31.214 -22.795 -65.326 1.00 71.28 ? 293 ALA B CB 1 +ATOM 6640 N N . SER B 2 293 ? -32.178 -19.727 -64.836 1.00 80.61 ? 294 SER B N 1 +ATOM 6641 C CA . SER B 2 293 ? -33.299 -18.845 -64.566 1.00 80.43 ? 294 SER B CA 1 +ATOM 6642 C C . SER B 2 293 ? -33.155 -17.490 -65.249 1.00 99.37 ? 294 SER B C 1 +ATOM 6643 O O . SER B 2 293 ? -33.815 -16.528 -64.841 1.00 96.53 ? 294 SER B O 1 +ATOM 6644 C CB . SER B 2 293 ? -33.475 -18.662 -63.061 1.00 87.70 ? 294 SER B CB 1 +ATOM 6645 O OG . SER B 2 293 ? -32.919 -17.426 -62.644 1.00 122.63 ? 294 SER B OG 1 +ATOM 6646 N N . GLY B 2 294 ? -32.291 -17.389 -66.264 1.00 84.11 ? 295 GLY B N 1 +ATOM 6647 C CA . GLY B 2 294 ? -32.219 -16.217 -67.108 1.00 93.55 ? 295 GLY B CA 1 +ATOM 6648 C C . GLY B 2 294 ? -31.209 -15.154 -66.721 1.00 83.54 ? 295 GLY B C 1 +ATOM 6649 O O . GLY B 2 294 ? -31.024 -14.201 -67.487 1.00 100.89 ? 295 GLY B O 1 +ATOM 6650 N N . ALA B 2 295 ? -30.546 -15.273 -65.574 1.00 83.29 ? 296 ALA B N 1 +ATOM 6651 C CA . ALA B 2 295 ? -29.593 -14.249 -65.172 1.00 80.45 ? 296 ALA B CA 1 +ATOM 6652 C C . ALA B 2 295 ? -28.353 -14.283 -66.060 1.00 68.63 ? 296 ALA B C 1 +ATOM 6653 O O . ALA B 2 295 ? -28.068 -15.269 -66.739 1.00 72.50 ? 296 ALA B O 1 +ATOM 6654 C CB . ALA B 2 295 ? -29.197 -14.430 -63.705 1.00 108.21 ? 296 ALA B CB 1 +ATOM 6655 N N . THR B 2 296 ? -27.612 -13.177 -66.065 1.00 72.38 ? 297 THR B N 1 +ATOM 6656 C CA . THR B 2 296 ? -26.361 -13.184 -66.809 1.00 80.62 ? 297 THR B CA 1 +ATOM 6657 C C . THR B 2 296 ? -25.260 -13.872 -65.999 1.00 78.53 ? 297 THR B C 1 +ATOM 6658 O O . THR B 2 296 ? -25.420 -14.195 -64.820 1.00 85.03 ? 297 THR B O 1 +ATOM 6659 C CB . THR B 2 296 ? -25.924 -11.763 -67.182 1.00 84.84 ? 297 THR B CB 1 +ATOM 6660 O OG1 . THR B 2 296 ? -25.634 -11.012 -66.000 1.00 69.83 ? 297 THR B OG1 1 +ATOM 6661 C CG2 . THR B 2 296 ? -27.006 -11.044 -67.986 1.00 81.86 ? 297 THR B CG2 1 +ATOM 6662 N N . LEU B 2 297 ? -24.124 -14.095 -66.661 1.00 83.76 ? 298 LEU B N 1 +ATOM 6663 C CA . LEU B 2 297 ? -22.941 -14.613 -65.982 1.00 78.61 ? 298 LEU B CA 1 +ATOM 6664 C C . LEU B 2 297 ? -22.538 -13.724 -64.805 1.00 78.68 ? 298 LEU B C 1 +ATOM 6665 O O . LEU B 2 297 ? -22.168 -14.221 -63.733 1.00 63.61 ? 298 LEU B O 1 +ATOM 6666 C CB . LEU B 2 297 ? -21.802 -14.727 -66.991 1.00 79.98 ? 298 LEU B CB 1 +ATOM 6667 C CG . LEU B 2 297 ? -20.940 -15.981 -66.989 1.00 92.41 ? 298 LEU B CG 1 +ATOM 6668 C CD1 . LEU B 2 297 ? -21.761 -17.200 -66.615 1.00 83.53 ? 298 LEU B CD1 1 +ATOM 6669 C CD2 . LEU B 2 297 ? -20.325 -16.136 -68.377 1.00 76.90 ? 298 LEU B CD2 1 +ATOM 6670 N N . GLU B 2 298 ? -22.613 -12.402 -64.983 1.00 70.88 ? 299 GLU B N 1 +ATOM 6671 C CA . GLU B 2 298 ? -22.225 -11.489 -63.915 1.00 64.67 ? 299 GLU B CA 1 +ATOM 6672 C C . GLU B 2 298 ? -23.212 -11.521 -62.763 1.00 69.73 ? 299 GLU B C 1 +ATOM 6673 O O . GLU B 2 298 ? -22.810 -11.363 -61.605 1.00 70.64 ? 299 GLU B O 1 +ATOM 6674 C CB . GLU B 2 298 ? -22.081 -10.070 -64.462 1.00 64.56 ? 299 GLU B CB 1 +ATOM 6675 C CG . GLU B 2 298 ? -20.710 -9.821 -65.067 1.00 93.95 ? 299 GLU B CG 1 +ATOM 6676 C CD . GLU B 2 298 ? -20.747 -9.050 -66.377 1.00 116.75 ? 299 GLU B CD 1 +ATOM 6677 O OE1 . GLU B 2 298 ? -20.690 -7.795 -66.327 1.00 112.91 ? 299 GLU B OE1 1 +ATOM 6678 O OE2 . GLU B 2 298 ? -20.820 -9.703 -67.452 1.00 99.58 ? 299 GLU B OE2 1 +ATOM 6679 N N . GLU B 2 299 ? -24.495 -11.735 -63.048 1.00 70.58 ? 300 GLU B N 1 +ATOM 6680 C CA . GLU B 2 299 ? -25.470 -11.831 -61.969 1.00 79.37 ? 300 GLU B CA 1 +ATOM 6681 C C . GLU B 2 299 ? -25.368 -13.165 -61.238 1.00 72.84 ? 300 GLU B C 1 +ATOM 6682 O O . GLU B 2 299 ? -25.502 -13.214 -60.011 1.00 76.75 ? 300 GLU B O 1 +ATOM 6683 C CB . GLU B 2 299 ? -26.882 -11.627 -62.514 1.00 71.63 ? 300 GLU B CB 1 +ATOM 6684 C CG . GLU B 2 299 ? -27.175 -10.189 -62.901 1.00 83.27 ? 300 GLU B CG 1 +ATOM 6685 C CD . GLU B 2 299 ? -27.876 -10.072 -64.243 1.00 91.01 ? 300 GLU B CD 1 +ATOM 6686 O OE1 . GLU B 2 299 ? -28.531 -11.052 -64.672 1.00 91.82 ? 300 GLU B OE1 1 +ATOM 6687 O OE2 . GLU B 2 299 ? -27.753 -9.002 -64.880 1.00 100.29 ? 300 GLU B OE2 1 +ATOM 6688 N N . ALA B 2 300 ? -25.147 -14.253 -61.978 1.00 81.65 ? 301 ALA B N 1 +ATOM 6689 C CA . ALA B 2 300 ? -25.033 -15.564 -61.356 1.00 69.34 ? 301 ALA B CA 1 +ATOM 6690 C C . ALA B 2 300 ? -23.877 -15.600 -60.361 1.00 76.54 ? 301 ALA B C 1 +ATOM 6691 O O . ALA B 2 300 ? -24.038 -16.050 -59.222 1.00 59.52 ? 301 ALA B O 1 +ATOM 6692 C CB . ALA B 2 300 ? -24.854 -16.636 -62.429 1.00 72.41 ? 301 ALA B CB 1 +ATOM 6693 N N . TRP B 2 301 ? -22.706 -15.111 -60.771 1.00 62.97 ? 302 TRP B N 1 +ATOM 6694 C CA . TRP B 2 301 ? -21.552 -15.166 -59.885 1.00 68.78 ? 302 TRP B CA 1 +ATOM 6695 C C . TRP B 2 301 ? -21.630 -14.118 -58.780 1.00 68.48 ? 302 TRP B C 1 +ATOM 6696 O O . TRP B 2 301 ? -21.207 -14.380 -57.649 1.00 65.47 ? 302 TRP B O 1 +ATOM 6697 C CB . TRP B 2 301 ? -20.264 -15.024 -60.691 1.00 56.40 ? 302 TRP B CB 1 +ATOM 6698 C CG . TRP B 2 301 ? -19.903 -16.328 -61.395 1.00 66.98 ? 302 TRP B CG 1 +ATOM 6699 C CD1 . TRP B 2 301 ? -20.087 -16.633 -62.714 1.00 56.03 ? 302 TRP B CD1 1 +ATOM 6700 C CD2 . TRP B 2 301 ? -19.330 -17.498 -60.792 1.00 57.34 ? 302 TRP B CD2 1 +ATOM 6701 N NE1 . TRP B 2 301 ? -19.653 -17.905 -62.969 1.00 64.17 ? 302 TRP B NE1 1 +ATOM 6702 C CE2 . TRP B 2 301 ? -19.185 -18.459 -61.807 1.00 58.45 ? 302 TRP B CE2 1 +ATOM 6703 C CE3 . TRP B 2 301 ? -18.920 -17.816 -59.495 1.00 55.58 ? 302 TRP B CE3 1 +ATOM 6704 C CZ2 . TRP B 2 301 ? -18.641 -19.712 -61.570 1.00 59.98 ? 302 TRP B CZ2 1 +ATOM 6705 C CZ3 . TRP B 2 301 ? -18.378 -19.050 -59.260 1.00 55.18 ? 302 TRP B CZ3 1 +ATOM 6706 C CH2 . TRP B 2 301 ? -18.246 -19.991 -60.287 1.00 62.91 ? 302 TRP B CH2 1 +ATOM 6707 N N . SER B 2 302 ? -22.174 -12.938 -59.072 1.00 64.40 ? 303 SER B N 1 +ATOM 6708 C CA . SER B 2 302 ? -22.289 -11.930 -58.031 1.00 59.99 ? 303 SER B CA 1 +ATOM 6709 C C . SER B 2 302 ? -23.239 -12.351 -56.923 1.00 66.57 ? 303 SER B C 1 +ATOM 6710 O O . SER B 2 302 ? -23.146 -11.816 -55.814 1.00 67.88 ? 303 SER B O 1 +ATOM 6711 C CB . SER B 2 302 ? -22.737 -10.604 -58.626 1.00 64.24 ? 303 SER B CB 1 +ATOM 6712 O OG . SER B 2 302 ? -21.768 -10.141 -59.538 1.00 70.66 ? 303 SER B OG 1 +ATOM 6713 N N . ALA B 2 303 ? -24.135 -13.299 -57.190 1.00 60.94 ? 304 ALA B N 1 +ATOM 6714 C CA . ALA B 2 303 ? -25.017 -13.830 -56.161 1.00 65.29 ? 304 ALA B CA 1 +ATOM 6715 C C . ALA B 2 303 ? -24.351 -14.876 -55.281 1.00 69.96 ? 304 ALA B C 1 +ATOM 6716 O O . ALA B 2 303 ? -24.983 -15.347 -54.329 1.00 62.26 ? 304 ALA B O 1 +ATOM 6717 C CB . ALA B 2 303 ? -26.271 -14.442 -56.795 1.00 61.01 ? 304 ALA B CB 1 +ATOM 6718 N N . ILE B 2 304 ? -23.119 -15.274 -55.576 1.00 55.63 ? 305 ILE B N 1 +ATOM 6719 C CA . ILE B 2 304 ? -22.455 -16.265 -54.735 1.00 60.27 ? 305 ILE B CA 1 +ATOM 6720 C C . ILE B 2 304 ? -21.986 -15.558 -53.466 1.00 58.22 ? 305 ILE B C 1 +ATOM 6721 O O . ILE B 2 304 ? -21.311 -14.526 -53.546 1.00 61.65 ? 305 ILE B O 1 +ATOM 6722 C CB . ILE B 2 304 ? -21.309 -16.959 -55.490 1.00 54.62 ? 305 ILE B CB 1 +ATOM 6723 C CG1 . ILE B 2 304 ? -21.877 -17.815 -56.624 1.00 52.97 ? 305 ILE B CG1 1 +ATOM 6724 C CG2 . ILE B 2 304 ? -20.493 -17.825 -54.554 1.00 55.81 ? 305 ILE B CG2 1 +ATOM 6725 C CD1 . ILE B 2 304 ? -22.799 -18.933 -56.161 1.00 52.29 ? 305 ILE B CD1 1 +ATOM 6726 N N . PRO B 2 305 ? -22.360 -16.040 -52.284 1.00 60.81 ? 306 PRO B N 1 +ATOM 6727 C CA . PRO B 2 305 ? -21.881 -15.410 -51.047 1.00 57.42 ? 306 PRO B CA 1 +ATOM 6728 C C . PRO B 2 305 ? -20.364 -15.507 -50.922 1.00 54.05 ? 306 PRO B C 1 +ATOM 6729 O O . PRO B 2 305 ? -19.764 -16.546 -51.204 1.00 58.01 ? 306 PRO B O 1 +ATOM 6730 C CB . PRO B 2 305 ? -22.580 -16.218 -49.949 1.00 56.65 ? 306 PRO B CB 1 +ATOM 6731 C CG . PRO B 2 305 ? -23.732 -16.888 -50.632 1.00 59.58 ? 306 PRO B CG 1 +ATOM 6732 C CD . PRO B 2 305 ? -23.275 -17.164 -52.022 1.00 49.75 ? 306 PRO B CD 1 +ATOM 6733 N N . GLU B 2 306 ? -19.749 -14.406 -50.484 1.00 56.67 ? 307 GLU B N 1 +ATOM 6734 C CA . GLU B 2 306 ? -18.312 -14.391 -50.230 1.00 60.82 ? 307 GLU B CA 1 +ATOM 6735 C C . GLU B 2 306 ? -17.893 -15.465 -49.230 1.00 51.15 ? 307 GLU B C 1 +ATOM 6736 O O . GLU B 2 306 ? -16.785 -16.007 -49.326 1.00 60.37 ? 307 GLU B O 1 +ATOM 6737 C CB . GLU B 2 306 ? -17.887 -13.021 -49.701 1.00 58.32 ? 307 GLU B CB 1 +ATOM 6738 C CG . GLU B 2 306 ? -17.564 -11.989 -50.756 1.00 64.18 ? 307 GLU B CG 1 +ATOM 6739 C CD . GLU B 2 306 ? -16.653 -10.906 -50.208 1.00 74.39 ? 307 GLU B CD 1 +ATOM 6740 O OE1 . GLU B 2 306 ? -16.890 -10.440 -49.066 1.00 85.02 ? 307 GLU B OE1 1 +ATOM 6741 O OE2 . GLU B 2 306 ? -15.684 -10.546 -50.904 1.00 67.94 ? 307 GLU B OE2 1 +ATOM 6742 N N . LYS B 2 307 ? -18.747 -15.772 -48.256 1.00 53.56 ? 308 LYS B N 1 +ATOM 6743 C CA . LYS B 2 307 ? -18.394 -16.789 -47.276 1.00 52.97 ? 308 LYS B CA 1 +ATOM 6744 C C . LYS B 2 307 ? -18.291 -18.156 -47.932 1.00 55.29 ? 308 LYS B C 1 +ATOM 6745 O O . LYS B 2 307 ? -17.397 -18.948 -47.601 1.00 53.27 ? 308 LYS B O 1 +ATOM 6746 C CB . LYS B 2 307 ? -19.418 -16.794 -46.135 1.00 58.19 ? 308 LYS B CB 1 +ATOM 6747 C CG . LYS B 2 307 ? -19.069 -17.660 -44.919 1.00 51.39 ? 308 LYS B CG 1 +ATOM 6748 C CD . LYS B 2 307 ? -20.068 -17.404 -43.790 1.00 49.06 ? 308 LYS B CD 1 +ATOM 6749 C CE . LYS B 2 307 ? -19.827 -18.302 -42.578 1.00 48.40 ? 308 LYS B CE 1 +ATOM 6750 N NZ . LYS B 2 307 ? -20.882 -18.157 -41.533 1.00 49.24 ? 308 LYS B NZ 1 +ATOM 6751 N N . LEU B 2 308 ? -19.187 -18.452 -48.876 1.00 60.76 ? 309 LEU B N 1 +ATOM 6752 C CA . LEU B 2 308 ? -19.133 -19.752 -49.540 1.00 57.11 ? 309 LEU B CA 1 +ATOM 6753 C C . LEU B 2 308 ? -17.925 -19.841 -50.467 1.00 58.96 ? 309 LEU B C 1 +ATOM 6754 O O . LEU B 2 308 ? -17.287 -20.897 -50.570 1.00 53.37 ? 309 LEU B O 1 +ATOM 6755 C CB . LEU B 2 308 ? -20.434 -20.008 -50.313 1.00 53.68 ? 309 LEU B CB 1 +ATOM 6756 C CG . LEU B 2 308 ? -20.537 -21.291 -51.149 1.00 52.87 ? 309 LEU B CG 1 +ATOM 6757 C CD1 . LEU B 2 308 ? -20.504 -22.519 -50.249 1.00 47.21 ? 309 LEU B CD1 1 +ATOM 6758 C CD2 . LEU B 2 308 ? -21.797 -21.274 -51.994 1.00 54.43 ? 309 LEU B CD2 1 +ATOM 6759 N N . ALA B 2 309 ? -17.587 -18.744 -51.146 1.00 50.44 ? 310 ALA B N 1 +ATOM 6760 C CA . ALA B 2 309 ? -16.416 -18.776 -52.019 1.00 55.05 ? 310 ALA B CA 1 +ATOM 6761 C C . ALA B 2 309 ? -15.133 -18.970 -51.206 1.00 52.80 ? 310 ALA B C 1 +ATOM 6762 O O . ALA B 2 309 ? -14.205 -19.652 -51.653 1.00 51.80 ? 310 ALA B O 1 +ATOM 6763 C CB . ALA B 2 309 ? -16.348 -17.495 -52.859 1.00 47.03 ? 310 ALA B CB 1 +ATOM 6764 N N . PHE B 2 310 ? -15.064 -18.359 -50.015 1.00 50.73 ? 311 PHE B N 1 +ATOM 6765 C CA . PHE B 2 310 ? -13.883 -18.468 -49.160 1.00 49.55 ? 311 PHE B CA 1 +ATOM 6766 C C . PHE B 2 310 ? -13.623 -19.916 -48.735 1.00 51.54 ? 311 PHE B C 1 +ATOM 6767 O O . PHE B 2 310 ? -12.467 -20.308 -48.550 1.00 51.20 ? 311 PHE B O 1 +ATOM 6768 C CB . PHE B 2 310 ? -14.064 -17.558 -47.944 1.00 41.42 ? 311 PHE B CB 1 +ATOM 6769 C CG . PHE B 2 310 ? -12.794 -17.277 -47.163 1.00 51.40 ? 311 PHE B CG 1 +ATOM 6770 C CD1 . PHE B 2 310 ? -11.601 -16.934 -47.812 1.00 46.77 ? 311 PHE B CD1 1 +ATOM 6771 C CD2 . PHE B 2 310 ? -12.820 -17.274 -45.758 1.00 47.86 ? 311 PHE B CD2 1 +ATOM 6772 C CE1 . PHE B 2 310 ? -10.440 -16.631 -47.066 1.00 46.72 ? 311 PHE B CE1 1 +ATOM 6773 C CE2 . PHE B 2 310 ? -11.665 -16.974 -45.002 1.00 43.87 ? 311 PHE B CE2 1 +ATOM 6774 C CZ . PHE B 2 310 ? -10.478 -16.654 -45.654 1.00 48.91 ? 311 PHE B CZ 1 +ATOM 6775 N N . TYR B 2 311 ? -14.677 -20.722 -48.569 1.00 49.88 ? 312 TYR B N 1 +ATOM 6776 C CA . TYR B 2 311 ? -14.482 -22.137 -48.271 1.00 48.98 ? 312 TYR B CA 1 +ATOM 6777 C C . TYR B 2 311 ? -13.823 -22.875 -49.428 1.00 50.17 ? 312 TYR B C 1 +ATOM 6778 O O . TYR B 2 311 ? -13.179 -23.908 -49.210 1.00 51.94 ? 312 TYR B O 1 +ATOM 6779 C CB . TYR B 2 311 ? -15.814 -22.803 -47.932 1.00 43.69 ? 312 TYR B CB 1 +ATOM 6780 C CG . TYR B 2 311 ? -16.365 -22.488 -46.564 1.00 54.85 ? 312 TYR B CG 1 +ATOM 6781 C CD1 . TYR B 2 311 ? -15.544 -22.464 -45.441 1.00 52.04 ? 312 TYR B CD1 1 +ATOM 6782 C CD2 . TYR B 2 311 ? -17.724 -22.218 -46.390 1.00 48.14 ? 312 TYR B CD2 1 +ATOM 6783 C CE1 . TYR B 2 311 ? -16.071 -22.184 -44.184 1.00 52.32 ? 312 TYR B CE1 1 +ATOM 6784 C CE2 . TYR B 2 311 ? -18.247 -21.937 -45.147 1.00 47.87 ? 312 TYR B CE2 1 +ATOM 6785 C CZ . TYR B 2 311 ? -17.421 -21.926 -44.052 1.00 46.51 ? 312 TYR B CZ 1 +ATOM 6786 O OH . TYR B 2 311 ? -17.952 -21.638 -42.822 1.00 52.99 ? 312 TYR B OH 1 +ATOM 6787 N N . ASP B 2 312 ? -13.991 -22.388 -50.653 1.00 49.92 ? 313 ASP B N 1 +ATOM 6788 C CA . ASP B 2 312 ? -13.480 -23.074 -51.846 1.00 53.28 ? 313 ASP B CA 1 +ATOM 6789 C C . ASP B 2 312 ? -12.080 -22.586 -52.201 1.00 52.78 ? 313 ASP B C 1 +ATOM 6790 O O . ASP B 2 312 ? -11.781 -22.233 -53.340 1.00 51.50 ? 313 ASP B O 1 +ATOM 6791 C CB . ASP B 2 312 ? -14.440 -22.881 -53.016 1.00 49.64 ? 313 ASP B CB 1 +ATOM 6792 C CG . ASP B 2 312 ? -14.195 -23.871 -54.137 1.00 53.37 ? 313 ASP B CG 1 +ATOM 6793 O OD1 . ASP B 2 312 ? -13.677 -24.970 -53.848 1.00 53.95 ? 313 ASP B OD1 1 +ATOM 6794 O OD2 . ASP B 2 312 ? -14.498 -23.549 -55.308 1.00 51.92 ? 313 ASP B OD2 1 +ATOM 6795 N N . TYR B 2 313 ? -11.208 -22.559 -51.198 1.00 50.04 ? 314 TYR B N 1 +ATOM 6796 C CA . TYR B 2 313 ? -9.884 -21.969 -51.320 1.00 50.51 ? 314 TYR B CA 1 +ATOM 6797 C C . TYR B 2 313 ? -8.939 -22.843 -50.503 1.00 49.57 ? 314 TYR B C 1 +ATOM 6798 O O . TYR B 2 313 ? -9.233 -23.153 -49.350 1.00 46.61 ? 314 TYR B O 1 +ATOM 6799 C CB . TYR B 2 313 ? -9.903 -20.491 -50.841 1.00 44.99 ? 314 TYR B CB 1 +ATOM 6800 C CG . TYR B 2 313 ? -8.539 -19.903 -50.520 1.00 46.83 ? 314 TYR B CG 1 +ATOM 6801 C CD1 . TYR B 2 313 ? -7.554 -19.795 -51.502 1.00 43.99 ? 314 TYR B CD1 1 +ATOM 6802 C CD2 . TYR B 2 313 ? -8.236 -19.463 -49.227 1.00 43.55 ? 314 TYR B CD2 1 +ATOM 6803 C CE1 . TYR B 2 313 ? -6.298 -19.277 -51.208 1.00 44.44 ? 314 TYR B CE1 1 +ATOM 6804 C CE2 . TYR B 2 313 ? -6.987 -18.941 -48.915 1.00 49.31 ? 314 TYR B CE2 1 +ATOM 6805 C CZ . TYR B 2 313 ? -6.011 -18.855 -49.908 1.00 52.45 ? 314 TYR B CZ 1 +ATOM 6806 O OH . TYR B 2 313 ? -4.760 -18.334 -49.606 1.00 45.97 ? 314 TYR B OH 1 +ATOM 6807 N N . ILE B 2 314 ? -7.836 -23.285 -51.113 1.00 46.65 ? 315 ILE B N 1 +ATOM 6808 C CA . ILE B 2 314 ? -6.983 -24.265 -50.455 1.00 42.20 ? 315 ILE B CA 1 +ATOM 6809 C C . ILE B 2 314 ? -6.279 -23.674 -49.229 1.00 54.49 ? 315 ILE B C 1 +ATOM 6810 O O . ILE B 2 314 ? -5.882 -24.428 -48.329 1.00 48.31 ? 315 ILE B O 1 +ATOM 6811 C CB . ILE B 2 314 ? -5.975 -24.866 -51.466 1.00 54.19 ? 315 ILE B CB 1 +ATOM 6812 C CG1 . ILE B 2 314 ? -5.648 -26.326 -51.082 1.00 48.55 ? 315 ILE B CG1 1 +ATOM 6813 C CG2 . ILE B 2 314 ? -4.717 -23.990 -51.578 1.00 41.90 ? 315 ILE B CG2 1 +ATOM 6814 C CD1 . ILE B 2 314 ? -4.514 -26.994 -51.912 1.00 45.64 ? 315 ILE B CD1 1 +ATOM 6815 N N . GLY B 2 315 ? -6.162 -22.339 -49.130 1.00 46.99 ? 316 GLY B N 1 +ATOM 6816 C CA . GLY B 2 315 ? -5.556 -21.747 -47.949 1.00 41.49 ? 316 GLY B CA 1 +ATOM 6817 C C . GLY B 2 315 ? -6.303 -22.055 -46.665 1.00 47.63 ? 316 GLY B C 1 +ATOM 6818 O O . GLY B 2 315 ? -5.739 -21.911 -45.579 1.00 46.66 ? 316 GLY B O 1 +ATOM 6819 N N . ASN B 2 316 ? -7.560 -22.482 -46.759 1.00 42.71 ? 317 ASN B N 1 +ATOM 6820 C CA . ASN B 2 316 ? -8.334 -22.834 -45.576 1.00 50.80 ? 317 ASN B CA 1 +ATOM 6821 C C . ASN B 2 316 ? -8.399 -24.339 -45.359 1.00 42.96 ? 317 ASN B C 1 +ATOM 6822 O O . ASN B 2 316 ? -9.076 -24.794 -44.437 1.00 51.21 ? 317 ASN B O 1 +ATOM 6823 C CB . ASN B 2 316 ? -9.737 -22.232 -45.656 1.00 48.13 ? 317 ASN B CB 1 +ATOM 6824 C CG . ASN B 2 316 ? -9.704 -20.709 -45.690 1.00 54.29 ? 317 ASN B CG 1 +ATOM 6825 O OD1 . ASN B 2 316 ? -8.892 -20.099 -44.994 1.00 46.38 ? 317 ASN B OD1 1 +ATOM 6826 N ND2 . ASN B 2 316 ? -10.577 -20.087 -46.510 1.00 47.51 ? 317 ASN B ND2 1 +ATOM 6827 N N . ASN B 2 317 ? -7.685 -25.098 -46.176 1.00 42.40 ? 318 ASN B N 1 +ATOM 6828 C CA . ASN B 2 317 ? -7.570 -26.541 -46.056 1.00 45.20 ? 318 ASN B CA 1 +ATOM 6829 C C . ASN B 2 317 ? -6.556 -26.871 -44.969 1.00 48.83 ? 318 ASN B C 1 +ATOM 6830 O O . ASN B 2 317 ? -5.379 -26.534 -45.119 1.00 48.34 ? 318 ASN B O 1 +ATOM 6831 C CB . ASN B 2 317 ? -7.127 -27.101 -47.406 1.00 41.65 ? 318 ASN B CB 1 +ATOM 6832 C CG . ASN B 2 317 ? -6.914 -28.601 -47.423 1.00 42.15 ? 318 ASN B CG 1 +ATOM 6833 O OD1 . ASN B 2 317 ? -6.778 -29.282 -46.377 1.00 42.24 ? 318 ASN B OD1 1 +ATOM 6834 N ND2 . ASN B 2 317 ? -6.841 -29.138 -48.647 1.00 40.14 ? 318 ASN B ND2 1 +ATOM 6835 N N . PRO B 2 318 ? -6.947 -27.572 -43.898 1.00 50.05 ? 319 PRO B N 1 +ATOM 6836 C CA . PRO B 2 318 ? -6.017 -27.794 -42.774 1.00 47.14 ? 319 PRO B CA 1 +ATOM 6837 C C . PRO B 2 318 ? -4.867 -28.736 -43.090 1.00 44.18 ? 319 PRO B C 1 +ATOM 6838 O O . PRO B 2 318 ? -4.003 -28.934 -42.227 1.00 46.69 ? 319 PRO B O 1 +ATOM 6839 C CB . PRO B 2 318 ? -6.925 -28.384 -41.684 1.00 42.90 ? 319 PRO B CB 1 +ATOM 6840 C CG . PRO B 2 318 ? -7.947 -29.153 -42.466 1.00 47.33 ? 319 PRO B CG 1 +ATOM 6841 C CD . PRO B 2 318 ? -8.228 -28.278 -43.701 1.00 45.07 ? 319 PRO B CD 1 +ATOM 6842 N N . ALA B 2 319 ? -4.816 -29.315 -44.288 1.00 43.58 ? 320 ALA B N 1 +ATOM 6843 C CA . ALA B 2 319 ? -3.722 -30.193 -44.676 1.00 43.64 ? 320 ALA B CA 1 +ATOM 6844 C C . ALA B 2 319 ? -2.647 -29.464 -45.475 1.00 41.41 ? 320 ALA B C 1 +ATOM 6845 O O . ALA B 2 319 ? -1.852 -30.111 -46.152 1.00 44.32 ? 320 ALA B O 1 +ATOM 6846 C CB . ALA B 2 319 ? -4.251 -31.392 -45.474 1.00 42.50 ? 320 ALA B CB 1 +ATOM 6847 N N . LYS B 2 320 ? -2.593 -28.131 -45.393 1.00 43.28 ? 321 LYS B N 1 +ATOM 6848 C CA . LYS B 2 320 ? -1.636 -27.341 -46.156 1.00 44.47 ? 321 LYS B CA 1 +ATOM 6849 C C . LYS B 2 320 ? -0.584 -26.675 -45.278 1.00 48.33 ? 321 LYS B C 1 +ATOM 6850 O O . LYS B 2 320 ? 0.208 -25.869 -45.783 1.00 48.88 ? 321 LYS B O 1 +ATOM 6851 C CB . LYS B 2 320 ? -2.379 -26.279 -46.991 1.00 41.45 ? 321 LYS B CB 1 +ATOM 6852 C CG . LYS B 2 320 ? -3.051 -26.873 -48.233 1.00 44.76 ? 321 LYS B CG 1 +ATOM 6853 C CD . LYS B 2 320 ? -2.010 -27.414 -49.170 1.00 42.73 ? 321 LYS B CD 1 +ATOM 6854 C CE . LYS B 2 320 ? -0.971 -26.346 -49.532 1.00 44.62 ? 321 LYS B CE 1 +ATOM 6855 N NZ . LYS B 2 320 ? 0.019 -26.921 -50.499 1.00 48.89 ? 321 LYS B NZ 1 +ATOM 6856 N N . GLY B 2 321 ? -0.564 -26.974 -43.985 1.00 48.19 ? 322 GLY B N 1 +ATOM 6857 C CA . GLY B 2 321 ? 0.328 -26.322 -43.052 1.00 41.69 ? 322 GLY B CA 1 +ATOM 6858 C C . GLY B 2 321 ? 1.668 -27.012 -42.869 1.00 41.66 ? 322 GLY B C 1 +ATOM 6859 O O . GLY B 2 321 ? 2.128 -27.800 -43.702 1.00 40.10 ? 322 GLY B O 1 +ATOM 6860 N N . GLY B 2 322 ? 2.306 -26.680 -41.766 1.00 41.56 ? 323 GLY B N 1 +ATOM 6861 C CA . GLY B 2 322 ? 3.638 -27.168 -41.461 1.00 44.63 ? 323 GLY B CA 1 +ATOM 6862 C C . GLY B 2 322 ? 3.830 -27.152 -39.962 1.00 42.92 ? 323 GLY B C 1 +ATOM 6863 O O . GLY B 2 322 ? 3.268 -26.305 -39.259 1.00 43.54 ? 323 GLY B O 1 +ATOM 6864 N N . LEU B 2 323 ? 4.645 -28.090 -39.472 1.00 40.88 ? 324 LEU B N 1 +ATOM 6865 C CA . LEU B 2 323 ? 4.794 -28.308 -38.032 1.00 38.75 ? 324 LEU B CA 1 +ATOM 6866 C C . LEU B 2 323 ? 5.358 -27.082 -37.323 1.00 43.98 ? 324 LEU B C 1 +ATOM 6867 O O . LEU B 2 323 ? 4.973 -26.785 -36.187 1.00 44.58 ? 324 LEU B O 1 +ATOM 6868 C CB . LEU B 2 323 ? 5.705 -29.517 -37.790 1.00 44.58 ? 324 LEU B CB 1 +ATOM 6869 C CG . LEU B 2 323 ? 6.068 -29.927 -36.361 1.00 49.80 ? 324 LEU B CG 1 +ATOM 6870 C CD1 . LEU B 2 323 ? 4.813 -30.236 -35.549 1.00 44.58 ? 324 LEU B CD1 1 +ATOM 6871 C CD2 . LEU B 2 323 ? 6.986 -31.165 -36.414 1.00 45.09 ? 324 LEU B CD2 1 +ATOM 6872 N N . PHE B 2 324 ? 6.272 -26.354 -37.969 1.00 42.64 ? 325 PHE B N 1 +ATOM 6873 C CA . PHE B 2 324 ? 6.906 -25.215 -37.313 1.00 44.82 ? 325 PHE B CA 1 +ATOM 6874 C C . PHE B 2 324 ? 6.507 -23.884 -37.933 1.00 43.24 ? 325 PHE B C 1 +ATOM 6875 O O . PHE B 2 324 ? 7.104 -22.859 -37.604 1.00 42.81 ? 325 PHE B O 1 +ATOM 6876 C CB . PHE B 2 324 ? 8.432 -25.387 -37.297 1.00 38.51 ? 325 PHE B CB 1 +ATOM 6877 C CG . PHE B 2 324 ? 8.893 -26.548 -36.445 1.00 44.93 ? 325 PHE B CG 1 +ATOM 6878 C CD1 . PHE B 2 324 ? 8.888 -26.449 -35.058 1.00 49.43 ? 325 PHE B CD1 1 +ATOM 6879 C CD2 . PHE B 2 324 ? 9.313 -27.739 -37.031 1.00 47.06 ? 325 PHE B CD2 1 +ATOM 6880 C CE1 . PHE B 2 324 ? 9.306 -27.519 -34.263 1.00 53.57 ? 325 PHE B CE1 1 +ATOM 6881 C CE2 . PHE B 2 324 ? 9.728 -28.817 -36.242 1.00 49.78 ? 325 PHE B CE2 1 +ATOM 6882 C CZ . PHE B 2 324 ? 9.722 -28.707 -34.869 1.00 43.15 ? 325 PHE B CZ 1 +ATOM 6883 N N . ARG B 2 325 ? 5.506 -23.880 -38.810 1.00 45.16 ? 326 ARG B N 1 +ATOM 6884 C CA . ARG B 2 325 ? 4.857 -22.650 -39.258 1.00 43.61 ? 326 ARG B CA 1 +ATOM 6885 C C . ARG B 2 325 ? 3.818 -22.285 -38.199 1.00 45.31 ? 326 ARG B C 1 +ATOM 6886 O O . ARG B 2 325 ? 2.702 -22.811 -38.195 1.00 46.14 ? 326 ARG B O 1 +ATOM 6887 C CB . ARG B 2 325 ? 4.226 -22.840 -40.636 1.00 44.84 ? 326 ARG B CB 1 +ATOM 6888 C CG . ARG B 2 325 ? 5.190 -23.315 -41.738 1.00 40.90 ? 326 ARG B CG 1 +ATOM 6889 C CD . ARG B 2 325 ? 4.391 -23.666 -42.957 1.00 43.03 ? 326 ARG B CD 1 +ATOM 6890 N NE . ARG B 2 325 ? 5.168 -24.195 -44.076 1.00 47.39 ? 326 ARG B NE 1 +ATOM 6891 C CZ . ARG B 2 325 ? 4.624 -24.764 -45.146 1.00 48.14 ? 326 ARG B CZ 1 +ATOM 6892 N NH1 . ARG B 2 325 ? 3.306 -24.910 -45.254 1.00 45.45 ? 326 ARG B NH1 1 +ATOM 6893 N NH2 . ARG B 2 325 ? 5.417 -25.196 -46.131 1.00 39.50 ? 326 ARG B NH2 1 +ATOM 6894 N N . THR B 2 326 ? 4.184 -21.387 -37.289 1.00 42.42 ? 327 THR B N 1 +ATOM 6895 C CA . THR B 2 326 ? 3.390 -21.144 -36.097 1.00 48.32 ? 327 THR B CA 1 +ATOM 6896 C C . THR B 2 326 ? 2.381 -20.025 -36.320 1.00 49.55 ? 327 THR B C 1 +ATOM 6897 O O . THR B 2 326 ? 2.487 -19.222 -37.253 1.00 49.06 ? 327 THR B O 1 +ATOM 6898 C CB . THR B 2 326 ? 4.296 -20.785 -34.912 1.00 50.49 ? 327 THR B CB 1 +ATOM 6899 O OG1 . THR B 2 326 ? 5.004 -19.579 -35.202 1.00 47.07 ? 327 THR B OG1 1 +ATOM 6900 C CG2 . THR B 2 326 ? 5.308 -21.890 -34.672 1.00 56.07 ? 327 THR B CG2 1 +ATOM 6901 N N . GLY B 2 327 ? 1.402 -19.968 -35.433 1.00 42.93 ? 328 GLY B N 1 +ATOM 6902 C CA . GLY B 2 327 ? 0.504 -18.846 -35.392 1.00 44.98 ? 328 GLY B CA 1 +ATOM 6903 C C . GLY B 2 327 ? -0.786 -19.060 -36.144 1.00 44.43 ? 328 GLY B C 1 +ATOM 6904 O O . GLY B 2 327 ? -1.100 -20.166 -36.603 1.00 45.51 ? 328 GLY B O 1 +ATOM 6905 N N . PRO B 2 328 ? -1.557 -17.988 -36.286 1.00 49.56 ? 329 PRO B N 1 +ATOM 6906 C CA . PRO B 2 328 ? -2.832 -18.070 -37.007 1.00 38.74 ? 329 PRO B CA 1 +ATOM 6907 C C . PRO B 2 328 ? -2.621 -18.191 -38.502 1.00 45.69 ? 329 PRO B C 1 +ATOM 6908 O O . PRO B 2 328 ? -1.552 -17.880 -39.043 1.00 47.70 ? 329 PRO B O 1 +ATOM 6909 C CB . PRO B 2 328 ? -3.523 -16.751 -36.648 1.00 48.54 ? 329 PRO B CB 1 +ATOM 6910 C CG . PRO B 2 328 ? -2.398 -15.818 -36.348 1.00 45.67 ? 329 PRO B CG 1 +ATOM 6911 C CD . PRO B 2 328 ? -1.272 -16.629 -35.785 1.00 46.12 ? 329 PRO B CD 1 +ATOM 6912 N N . MET B 2 329 ? -3.661 -18.685 -39.184 1.00 44.25 ? 330 MET B N 1 +ATOM 6913 C CA . MET B 2 329 ? -3.588 -18.737 -40.647 1.00 49.50 ? 330 MET B CA 1 +ATOM 6914 C C . MET B 2 329 ? -3.357 -17.357 -41.251 1.00 42.58 ? 330 MET B C 1 +ATOM 6915 O O . MET B 2 329 ? -2.710 -17.239 -42.301 1.00 44.17 ? 330 MET B O 1 +ATOM 6916 C CB . MET B 2 329 ? -4.858 -19.345 -41.225 1.00 45.10 ? 330 MET B CB 1 +ATOM 6917 C CG . MET B 2 329 ? -5.108 -20.761 -40.717 1.00 54.30 ? 330 MET B CG 1 +ATOM 6918 S SD . MET B 2 329 ? -6.737 -21.429 -41.091 1.00 50.21 ? 330 MET B SD 1 +ATOM 6919 C CE . MET B 2 329 ? -6.352 -22.424 -42.524 1.00 42.82 ? 330 MET B CE 1 +ATOM 6920 N N . ASN B 2 330 ? -3.892 -16.310 -40.607 1.00 44.40 ? 331 ASN B N 1 +ATOM 6921 C CA . ASN B 2 330 ? -3.721 -14.944 -41.092 1.00 49.20 ? 331 ASN B CA 1 +ATOM 6922 C C . ASN B 2 330 ? -2.243 -14.577 -41.218 1.00 51.02 ? 331 ASN B C 1 +ATOM 6923 O O . ASN B 2 330 ? -1.880 -13.735 -42.038 1.00 45.62 ? 331 ASN B O 1 +ATOM 6924 C CB . ASN B 2 330 ? -4.443 -13.970 -40.148 1.00 42.88 ? 331 ASN B CB 1 +ATOM 6925 C CG . ASN B 2 330 ? -5.968 -13.965 -40.338 1.00 42.46 ? 331 ASN B CG 1 +ATOM 6926 O OD1 . ASN B 2 330 ? -6.485 -14.401 -41.366 1.00 49.37 ? 331 ASN B OD1 1 +ATOM 6927 N ND2 . ASN B 2 330 ? -6.678 -13.460 -39.345 1.00 40.28 ? 331 ASN B ND2 1 +ATOM 6928 N N . LYS B 2 331 ? -1.381 -15.203 -40.420 1.00 45.06 ? 332 LYS B N 1 +ATOM 6929 C CA . LYS B 2 331 ? 0.052 -14.967 -40.522 1.00 48.07 ? 332 LYS B CA 1 +ATOM 6930 C C . LYS B 2 331 ? 0.656 -15.509 -41.826 1.00 44.07 ? 332 LYS B C 1 +ATOM 6931 O O . LYS B 2 331 ? 1.750 -15.079 -42.212 1.00 48.92 ? 332 LYS B O 1 +ATOM 6932 C CB . LYS B 2 331 ? 0.729 -15.584 -39.282 1.00 45.10 ? 332 LYS B CB 1 +ATOM 6933 C CG . LYS B 2 331 ? 2.242 -15.497 -39.256 1.00 56.43 ? 332 LYS B CG 1 +ATOM 6934 C CD . LYS B 2 331 ? 2.753 -14.070 -39.094 1.00 50.94 ? 332 LYS B CD 1 +ATOM 6935 C CE . LYS B 2 331 ? 4.211 -14.020 -39.535 1.00 57.11 ? 332 LYS B CE 1 +ATOM 6936 N NZ . LYS B 2 331 ? 4.872 -12.723 -39.320 1.00 57.67 ? 332 LYS B NZ 1 +ATOM 6937 N N . GLY B 2 332 ? -0.025 -16.427 -42.516 1.00 44.21 ? 333 GLY B N 1 +ATOM 6938 C CA . GLY B 2 332 ? 0.471 -16.988 -43.762 1.00 39.85 ? 333 GLY B CA 1 +ATOM 6939 C C . GLY B 2 332 ? 0.043 -16.219 -45.007 1.00 51.04 ? 333 GLY B C 1 +ATOM 6940 O O . GLY B 2 332 ? 0.765 -15.345 -45.493 1.00 46.84 ? 333 GLY B O 1 +ATOM 6941 N N . ASP B 2 333 ? -1.128 -16.535 -45.547 1.00 49.92 ? 334 ASP B N 1 +ATOM 6942 C CA . ASP B 2 333 ? -1.570 -15.847 -46.752 1.00 48.45 ? 334 ASP B CA 1 +ATOM 6943 C C . ASP B 2 333 ? -2.078 -14.437 -46.482 1.00 47.48 ? 334 ASP B C 1 +ATOM 6944 O O . ASP B 2 333 ? -2.210 -13.663 -47.431 1.00 52.89 ? 334 ASP B O 1 +ATOM 6945 C CB . ASP B 2 333 ? -2.640 -16.667 -47.495 1.00 45.35 ? 334 ASP B CB 1 +ATOM 6946 C CG . ASP B 2 333 ? -3.739 -17.228 -46.584 1.00 47.93 ? 334 ASP B CG 1 +ATOM 6947 O OD1 . ASP B 2 333 ? -3.739 -16.980 -45.354 1.00 48.31 ? 334 ASP B OD1 1 +ATOM 6948 O OD2 . ASP B 2 333 ? -4.627 -17.926 -47.125 1.00 50.66 ? 334 ASP B OD2 1 +ATOM 6949 N N . GLY B 2 334 ? -2.320 -14.064 -45.231 1.00 49.46 ? 335 GLY B N 1 +ATOM 6950 C CA . GLY B 2 334 ? -2.769 -12.726 -44.893 1.00 47.06 ? 335 GLY B CA 1 +ATOM 6951 C C . GLY B 2 334 ? -4.167 -12.732 -44.306 1.00 49.75 ? 335 GLY B C 1 +ATOM 6952 O O . GLY B 2 334 ? -4.783 -13.777 -44.117 1.00 49.50 ? 335 GLY B O 1 +ATOM 6953 N N . ILE B 2 335 ? -4.650 -11.528 -43.994 1.00 46.60 ? 336 ILE B N 1 +ATOM 6954 C CA . ILE B 2 335 ? -6.035 -11.317 -43.573 1.00 47.61 ? 336 ILE B CA 1 +ATOM 6955 C C . ILE B 2 335 ? -6.890 -11.100 -44.822 1.00 55.49 ? 336 ILE B C 1 +ATOM 6956 O O . ILE B 2 335 ? -6.744 -10.088 -45.520 1.00 52.34 ? 336 ILE B O 1 +ATOM 6957 C CB . ILE B 2 335 ? -6.163 -10.131 -42.614 1.00 52.22 ? 336 ILE B CB 1 +ATOM 6958 C CG1 . ILE B 2 335 ? -5.249 -10.314 -41.391 1.00 52.53 ? 336 ILE B CG1 1 +ATOM 6959 C CG2 . ILE B 2 335 ? -7.635 -9.954 -42.174 1.00 54.35 ? 336 ILE B CG2 1 +ATOM 6960 C CD1 . ILE B 2 335 ? -4.961 -9.031 -40.676 1.00 51.17 ? 336 ILE B CD1 1 +ATOM 6961 N N . ALA B 2 336 ? -7.778 -12.056 -45.110 1.00 50.60 ? 337 ALA B N 1 +ATOM 6962 C CA . ALA B 2 336 ? -8.639 -11.964 -46.285 1.00 55.51 ? 337 ALA B CA 1 +ATOM 6963 C C . ALA B 2 336 ? -9.505 -10.707 -46.221 1.00 55.48 ? 337 ALA B C 1 +ATOM 6964 O O . ALA B 2 336 ? -10.119 -10.408 -45.194 1.00 48.03 ? 337 ALA B O 1 +ATOM 6965 C CB . ALA B 2 336 ? -9.514 -13.217 -46.401 1.00 48.28 ? 337 ALA B CB 1 +ATOM 6966 N N . GLN B 2 337 ? -9.540 -9.965 -47.330 1.00 55.69 ? 338 GLN B N 1 +ATOM 6967 C CA . GLN B 2 337 ? -10.285 -8.708 -47.419 1.00 57.54 ? 338 GLN B CA 1 +ATOM 6968 C C . GLN B 2 337 ? -11.526 -8.799 -48.295 1.00 62.78 ? 338 GLN B C 1 +ATOM 6969 O O . GLN B 2 337 ? -12.560 -8.231 -47.942 1.00 63.96 ? 338 GLN B O 1 +ATOM 6970 C CB . GLN B 2 337 ? -9.380 -7.593 -47.959 1.00 50.43 ? 338 GLN B CB 1 +ATOM 6971 C CG . GLN B 2 337 ? -8.126 -7.347 -47.133 1.00 61.38 ? 338 GLN B CG 1 +ATOM 6972 C CD . GLN B 2 337 ? -8.442 -6.784 -45.772 1.00 68.96 ? 338 GLN B CD 1 +ATOM 6973 O OE1 . GLN B 2 337 ? -9.079 -5.739 -45.660 1.00 77.64 ? 338 GLN B OE1 1 +ATOM 6974 N NE2 . GLN B 2 337 ? -8.019 -7.480 -44.724 1.00 65.94 ? 338 GLN B NE2 1 +ATOM 6975 N N . ALA B 2 338 ? -11.455 -9.504 -49.427 1.00 51.61 ? 339 ALA B N 1 +ATOM 6976 C CA . ALA B 2 338 ? -12.563 -9.532 -50.374 1.00 55.85 ? 339 ALA B CA 1 +ATOM 6977 C C . ALA B 2 338 ? -12.336 -10.628 -51.397 1.00 51.49 ? 339 ALA B C 1 +ATOM 6978 O O . ALA B 2 338 ? -11.198 -10.881 -51.805 1.00 58.28 ? 339 ALA B O 1 +ATOM 6979 C CB . ALA B 2 338 ? -12.732 -8.180 -51.104 1.00 43.88 ? 339 ALA B CB 1 +ATOM 6980 N N . TRP B 2 339 ? -13.432 -11.265 -51.805 1.00 51.86 ? 340 TRP B N 1 +ATOM 6981 C CA . TRP B 2 339 ? -13.439 -12.085 -53.009 1.00 48.17 ? 340 TRP B CA 1 +ATOM 6982 C C . TRP B 2 339 ? -13.139 -11.218 -54.236 1.00 59.59 ? 340 TRP B C 1 +ATOM 6983 O O . TRP B 2 339 ? -13.790 -10.191 -54.461 1.00 57.85 ? 340 TRP B O 1 +ATOM 6984 C CB . TRP B 2 339 ? -14.801 -12.749 -53.155 1.00 43.57 ? 340 TRP B CB 1 +ATOM 6985 C CG . TRP B 2 339 ? -14.877 -13.808 -54.207 1.00 51.44 ? 340 TRP B CG 1 +ATOM 6986 C CD1 . TRP B 2 339 ? -13.882 -14.642 -54.603 1.00 47.93 ? 340 TRP B CD1 1 +ATOM 6987 C CD2 . TRP B 2 339 ? -16.031 -14.162 -54.982 1.00 53.07 ? 340 TRP B CD2 1 +ATOM 6988 N NE1 . TRP B 2 339 ? -14.342 -15.501 -55.569 1.00 50.93 ? 340 TRP B NE1 1 +ATOM 6989 C CE2 . TRP B 2 339 ? -15.660 -15.226 -55.816 1.00 51.24 ? 340 TRP B CE2 1 +ATOM 6990 C CE3 . TRP B 2 339 ? -17.342 -13.681 -55.045 1.00 60.44 ? 340 TRP B CE3 1 +ATOM 6991 C CZ2 . TRP B 2 339 ? -16.549 -15.813 -56.714 1.00 60.00 ? 340 TRP B CZ2 1 +ATOM 6992 C CZ3 . TRP B 2 339 ? -18.219 -14.257 -55.927 1.00 55.98 ? 340 TRP B CZ3 1 +ATOM 6993 C CH2 . TRP B 2 339 ? -17.825 -15.315 -56.749 1.00 58.52 ? 340 TRP B CH2 1 +ATOM 6994 N N . LYS B 2 340 ? -12.142 -11.616 -55.027 1.00 52.19 ? 341 LYS B N 1 +ATOM 6995 C CA . LYS B 2 340 ? -11.887 -10.883 -56.256 1.00 55.75 ? 341 LYS B CA 1 +ATOM 6996 C C . LYS B 2 340 ? -12.887 -11.222 -57.348 1.00 56.44 ? 341 LYS B C 1 +ATOM 6997 O O . LYS B 2 340 ? -13.006 -10.471 -58.310 1.00 55.65 ? 341 LYS B O 1 +ATOM 6998 C CB . LYS B 2 340 ? -10.468 -11.156 -56.749 1.00 58.23 ? 341 LYS B CB 1 +ATOM 6999 C CG . LYS B 2 340 ? -9.423 -10.606 -55.798 1.00 60.96 ? 341 LYS B CG 1 +ATOM 7000 C CD . LYS B 2 340 ? -8.098 -10.509 -56.482 1.00 62.07 ? 341 LYS B CD 1 +ATOM 7001 C CE . LYS B 2 340 ? -7.271 -9.423 -55.870 1.00 60.60 ? 341 LYS B CE 1 +ATOM 7002 N NZ . LYS B 2 340 ? -5.965 -9.346 -56.551 1.00 75.42 ? 341 LYS B NZ 1 +ATOM 7003 N N . GLY B 2 341 ? -13.622 -12.308 -57.200 1.00 51.17 ? 342 GLY B N 1 +ATOM 7004 C CA . GLY B 2 341 ? -14.519 -12.787 -58.225 1.00 51.58 ? 342 GLY B CA 1 +ATOM 7005 C C . GLY B 2 341 ? -14.012 -14.077 -58.840 1.00 49.58 ? 342 GLY B C 1 +ATOM 7006 O O . GLY B 2 341 ? -12.879 -14.503 -58.631 1.00 56.66 ? 342 GLY B O 1 +ATOM 7007 N N . HIS B 2 342 ? -14.887 -14.699 -59.610 1.00 57.58 ? 343 HIS B N 1 +ATOM 7008 C CA . HIS B 2 342 ? -14.554 -15.963 -60.245 1.00 54.08 ? 343 HIS B CA 1 +ATOM 7009 C C . HIS B 2 342 ? -13.812 -15.710 -61.554 1.00 66.07 ? 343 HIS B C 1 +ATOM 7010 O O . HIS B 2 342 ? -14.326 -15.020 -62.450 1.00 54.45 ? 343 HIS B O 1 +ATOM 7011 C CB . HIS B 2 342 ? -15.810 -16.785 -60.493 1.00 54.63 ? 343 HIS B CB 1 +ATOM 7012 C CG . HIS B 2 342 ? -15.523 -18.134 -61.065 1.00 61.30 ? 343 HIS B CG 1 +ATOM 7013 N ND1 . HIS B 2 342 ? -15.189 -19.213 -60.276 1.00 55.72 ? 343 HIS B ND1 1 +ATOM 7014 C CD2 . HIS B 2 342 ? -15.481 -18.573 -62.346 1.00 56.17 ? 343 HIS B CD2 1 +ATOM 7015 C CE1 . HIS B 2 342 ? -14.970 -20.265 -61.048 1.00 58.19 ? 343 HIS B CE1 1 +ATOM 7016 N NE2 . HIS B 2 342 ? -15.144 -19.904 -62.307 1.00 60.12 ? 343 HIS B NE2 1 +ATOM 7017 N N . ALA B 2 343 ? -12.612 -16.277 -61.661 1.00 51.84 ? 344 ALA B N 1 +ATOM 7018 C CA . ALA B 2 343 ? -11.801 -16.152 -62.864 1.00 53.78 ? 344 ALA B CA 1 +ATOM 7019 C C . ALA B 2 343 ? -12.225 -17.172 -63.917 1.00 64.83 ? 344 ALA B C 1 +ATOM 7020 O O . ALA B 2 343 ? -12.291 -18.375 -63.650 1.00 56.29 ? 344 ALA B O 1 +ATOM 7021 C CB . ALA B 2 343 ? -10.322 -16.328 -62.539 1.00 47.73 ? 344 ALA B CB 1 +ATOM 7022 N N . VAL B 2 344 ? -12.491 -16.685 -65.127 1.00 60.69 ? 345 VAL B N 1 +ATOM 7023 C CA . VAL B 2 344 ? -12.777 -17.531 -66.276 1.00 61.17 ? 345 VAL B CA 1 +ATOM 7024 C C . VAL B 2 344 ? -11.665 -17.316 -67.292 1.00 58.06 ? 345 VAL B C 1 +ATOM 7025 O O . VAL B 2 344 ? -11.389 -16.174 -67.682 1.00 65.75 ? 345 VAL B O 1 +ATOM 7026 C CB . VAL B 2 344 ? -14.162 -17.204 -66.870 1.00 68.71 ? 345 VAL B CB 1 +ATOM 7027 C CG1 . VAL B 2 344 ? -14.336 -17.857 -68.234 1.00 67.42 ? 345 VAL B CG1 1 +ATOM 7028 C CG2 . VAL B 2 344 ? -15.263 -17.646 -65.900 1.00 58.66 ? 345 VAL B CG2 1 +ATOM 7029 N N . PHE B 2 345 ? -11.022 -18.398 -67.715 1.00 53.25 ? 346 PHE B N 1 +ATOM 7030 C CA . PHE B 2 345 ? -9.945 -18.320 -68.693 1.00 54.07 ? 346 PHE B CA 1 +ATOM 7031 C C . PHE B 2 345 ? -10.448 -18.810 -70.050 1.00 53.69 ? 346 PHE B C 1 +ATOM 7032 O O . PHE B 2 345 ? -11.213 -19.777 -70.121 1.00 55.50 ? 346 PHE B O 1 +ATOM 7033 C CB . PHE B 2 345 ? -8.738 -19.151 -68.237 1.00 54.88 ? 346 PHE B CB 1 +ATOM 7034 C CG . PHE B 2 345 ? -8.136 -18.697 -66.924 1.00 57.76 ? 346 PHE B CG 1 +ATOM 7035 C CD1 . PHE B 2 345 ? -8.643 -19.157 -65.712 1.00 45.77 ? 346 PHE B CD1 1 +ATOM 7036 C CD2 . PHE B 2 345 ? -7.057 -17.829 -66.906 1.00 50.40 ? 346 PHE B CD2 1 +ATOM 7037 C CE1 . PHE B 2 345 ? -8.105 -18.737 -64.500 1.00 58.40 ? 346 PHE B CE1 1 +ATOM 7038 C CE2 . PHE B 2 345 ? -6.502 -17.390 -65.692 1.00 58.36 ? 346 PHE B CE2 1 +ATOM 7039 C CZ . PHE B 2 345 ? -7.028 -17.853 -64.482 1.00 52.73 ? 346 PHE B CZ 1 +ATOM 7040 N N A ARG B 2 346 ? -10.048 -18.106 -71.132 0.50 57.25 ? 347 ARG B N 1 +ATOM 7041 N N B ARG B 2 346 ? -10.016 -18.145 -71.116 0.50 57.24 ? 347 ARG B N 1 +ATOM 7042 C CA A ARG B 2 346 ? -10.362 -18.481 -72.505 0.50 58.44 ? 347 ARG B CA 1 +ATOM 7043 C CA B ARG B 2 346 ? -10.332 -18.592 -72.464 0.50 58.37 ? 347 ARG B CA 1 +ATOM 7044 C C A ARG B 2 346 ? -9.102 -18.408 -73.358 0.50 56.39 ? 347 ARG B C 1 +ATOM 7045 C C B ARG B 2 346 ? -9.097 -18.445 -73.338 0.50 56.35 ? 347 ARG B C 1 +ATOM 7046 O O A ARG B 2 346 ? -8.199 -17.613 -73.089 0.50 58.54 ? 347 ARG B O 1 +ATOM 7047 O O B ARG B 2 346 ? -8.223 -17.617 -73.076 0.50 58.57 ? 347 ARG B O 1 +ATOM 7048 C CB A ARG B 2 346 ? -11.439 -17.567 -73.107 0.50 64.55 ? 347 ARG B CB 1 +ATOM 7049 C CB B ARG B 2 346 ? -11.511 -17.815 -73.071 0.50 64.53 ? 347 ARG B CB 1 +ATOM 7050 C CG A ARG B 2 346 ? -12.654 -17.372 -72.211 0.50 63.28 ? 347 ARG B CG 1 +ATOM 7051 C CG B ARG B 2 346 ? -12.849 -17.997 -72.351 0.50 59.58 ? 347 ARG B CG 1 +ATOM 7052 C CD A ARG B 2 346 ? -13.652 -16.400 -72.797 0.50 59.22 ? 347 ARG B CD 1 +ATOM 7053 C CD B ARG B 2 346 ? -13.942 -17.132 -72.979 0.50 58.15 ? 347 ARG B CD 1 +ATOM 7054 N NE A ARG B 2 346 ? -14.895 -16.400 -72.036 0.50 52.05 ? 347 ARG B NE 1 +ATOM 7055 N NE B ARG B 2 346 ? -15.082 -16.915 -72.095 0.50 59.95 ? 347 ARG B NE 1 +ATOM 7056 C CZ A ARG B 2 346 ? -15.245 -15.463 -71.169 0.50 51.66 ? 347 ARG B CZ 1 +ATOM 7057 C CZ B ARG B 2 346 ? -16.163 -17.684 -72.055 0.50 78.01 ? 347 ARG B CZ 1 +ATOM 7058 N NH1 A ARG B 2 346 ? -14.485 -14.406 -70.953 0.50 54.90 ? 347 ARG B NH1 1 +ATOM 7059 N NH1 B ARG B 2 346 ? -16.287 -18.747 -72.838 0.50 68.36 ? 347 ARG B NH1 1 +ATOM 7060 N NH2 A ARG B 2 346 ? -16.390 -15.588 -70.506 0.50 43.30 ? 347 ARG B NH2 1 +ATOM 7061 N NH2 B ARG B 2 346 ? -17.145 -17.381 -71.208 0.50 63.79 ? 347 ARG B NH2 1 +ATOM 7062 N N . ASN B 2 347 ? -9.024 -19.268 -74.372 1.00 60.07 ? 348 ASN B N 1 +ATOM 7063 C CA . ASN B 2 347 ? -7.937 -19.173 -75.338 1.00 67.34 ? 348 ASN B CA 1 +ATOM 7064 C C . ASN B 2 347 ? -8.361 -18.288 -76.514 1.00 66.90 ? 348 ASN B C 1 +ATOM 7065 O O . ASN B 2 347 ? -9.464 -17.736 -76.541 1.00 63.25 ? 348 ASN B O 1 +ATOM 7066 C CB . ASN B 2 347 ? -7.494 -20.559 -75.809 1.00 63.27 ? 348 ASN B CB 1 +ATOM 7067 C CG . ASN B 2 347 ? -8.600 -21.327 -76.527 1.00 70.33 ? 348 ASN B CG 1 +ATOM 7068 O OD1 . ASN B 2 347 ? -9.660 -20.778 -76.862 1.00 64.23 ? 348 ASN B OD1 1 +ATOM 7069 N ND2 . ASN B 2 347 ? -8.343 -22.608 -76.782 1.00 67.26 ? 348 ASN B ND2 1 +ATOM 7070 N N . LYS B 2 348 ? -7.464 -18.153 -77.498 1.00 62.05 ? 349 LYS B N 1 +ATOM 7071 C CA . LYS B 2 348 ? -7.707 -17.278 -78.643 1.00 70.02 ? 349 LYS B CA 1 +ATOM 7072 C C . LYS B 2 348 ? -8.930 -17.712 -79.449 1.00 62.55 ? 349 LYS B C 1 +ATOM 7073 O O . LYS B 2 348 ? -9.622 -16.866 -80.020 1.00 78.01 ? 349 LYS B O 1 +ATOM 7074 C CB . LYS B 2 348 ? -6.461 -17.232 -79.535 1.00 64.35 ? 349 LYS B CB 1 +ATOM 7075 C CG . LYS B 2 348 ? -5.876 -18.604 -79.874 1.00 74.28 ? 349 LYS B CG 1 +ATOM 7076 C CD . LYS B 2 348 ? -4.655 -18.501 -80.789 1.00 77.25 ? 349 LYS B CD 1 +ATOM 7077 C CE . LYS B 2 348 ? -3.792 -17.306 -80.400 1.00 87.34 ? 349 LYS B CE 1 +ATOM 7078 N NZ . LYS B 2 348 ? -2.573 -17.201 -81.263 1.00 100.19 ? 349 LYS B NZ 1 +ATOM 7079 N N . GLU B 2 349 ? -9.215 -19.013 -79.500 1.00 63.25 ? 350 GLU B N 1 +ATOM 7080 C CA . GLU B 2 349 ? -10.421 -19.552 -80.127 1.00 66.28 ? 350 GLU B CA 1 +ATOM 7081 C C . GLU B 2 349 ? -11.685 -19.297 -79.326 1.00 76.47 ? 350 GLU B C 1 +ATOM 7082 O O . GLU B 2 349 ? -12.755 -19.751 -79.750 1.00 76.64 ? 350 GLU B O 1 +ATOM 7083 C CB . GLU B 2 349 ? -10.291 -21.061 -80.335 1.00 57.94 ? 350 GLU B CB 1 +ATOM 7084 C CG . GLU B 2 349 ? -9.617 -21.454 -81.639 1.00 94.13 ? 350 GLU B CG 1 +ATOM 7085 C CD . GLU B 2 349 ? -8.128 -21.163 -81.642 1.00 107.13 ? 350 GLU B CD 1 +ATOM 7086 O OE1 . GLU B 2 349 ? -7.485 -21.301 -80.577 1.00 123.08 ? 350 GLU B OE1 1 +ATOM 7087 O OE2 . GLU B 2 349 ? -7.597 -20.798 -82.713 1.00 130.34 ? 350 GLU B OE2 1 +ATOM 7088 N N . GLY B 2 350 ? -11.596 -18.636 -78.174 1.00 70.94 ? 351 GLY B N 1 +ATOM 7089 C CA . GLY B 2 350 ? -12.745 -18.456 -77.310 1.00 66.86 ? 351 GLY B CA 1 +ATOM 7090 C C . GLY B 2 350 ? -13.188 -19.675 -76.525 1.00 68.53 ? 351 GLY B C 1 +ATOM 7091 O O . GLY B 2 350 ? -14.261 -19.634 -75.911 1.00 73.13 ? 351 GLY B O 1 +ATOM 7092 N N A GLU B 2 351 ? -12.429 -20.763 -76.546 0.50 60.82 ? 352 GLU B N 1 +ATOM 7093 N N B GLU B 2 351 ? -12.404 -20.754 -76.508 0.50 60.79 ? 352 GLU B N 1 +ATOM 7094 C CA A GLU B 2 351 ? -12.789 -21.894 -75.703 0.50 59.43 ? 352 GLU B CA 1 +ATOM 7095 C CA B GLU B 2 351 ? -12.742 -21.922 -75.699 0.50 59.46 ? 352 GLU B CA 1 +ATOM 7096 C C A GLU B 2 351 ? -12.532 -21.557 -74.240 0.50 68.15 ? 352 GLU B C 1 +ATOM 7097 C C B GLU B 2 351 ? -12.481 -21.632 -74.221 0.50 68.11 ? 352 GLU B C 1 +ATOM 7098 O O A GLU B 2 351 ? -11.503 -20.972 -73.892 0.50 60.55 ? 352 GLU B O 1 +ATOM 7099 O O B GLU B 2 351 ? -11.427 -21.097 -73.861 0.50 60.56 ? 352 GLU B O 1 +ATOM 7100 C CB A GLU B 2 351 ? -11.990 -23.142 -76.078 0.50 63.70 ? 352 GLU B CB 1 +ATOM 7101 C CB B GLU B 2 351 ? -11.917 -23.132 -76.148 0.50 63.74 ? 352 GLU B CB 1 +ATOM 7102 C CG A GLU B 2 351 ? -11.672 -23.284 -77.548 0.50 78.11 ? 352 GLU B CG 1 +ATOM 7103 C CG B GLU B 2 351 ? -12.715 -24.283 -76.755 0.50 70.47 ? 352 GLU B CG 1 +ATOM 7104 C CD A GLU B 2 351 ? -10.917 -24.564 -77.851 0.50 67.82 ? 352 GLU B CD 1 +ATOM 7105 C CD B GLU B 2 351 ? -13.142 -25.304 -75.722 0.50 82.17 ? 352 GLU B CD 1 +ATOM 7106 O OE1 A GLU B 2 351 ? -11.293 -25.618 -77.305 0.50 70.75 ? 352 GLU B OE1 1 +ATOM 7107 O OE1 B GLU B 2 351 ? -12.672 -26.460 -75.791 0.50 64.47 ? 352 GLU B OE1 1 +ATOM 7108 O OE2 A GLU B 2 351 ? -9.941 -24.510 -78.624 0.50 72.14 ? 352 GLU B OE2 1 +ATOM 7109 O OE2 B GLU B 2 351 ? -13.938 -24.940 -74.826 0.50 90.46 ? 352 GLU B OE2 1 +ATOM 7110 N N . GLU B 2 352 ? -13.438 -21.980 -73.361 1.00 61.19 ? 353 GLU B N 1 +ATOM 7111 C CA . GLU B 2 352 ? -13.215 -21.834 -71.928 1.00 65.16 ? 353 GLU B CA 1 +ATOM 7112 C C . GLU B 2 352 ? -12.215 -22.879 -71.440 1.00 67.76 ? 353 GLU B C 1 +ATOM 7113 O O . GLU B 2 352 ? -12.277 -24.049 -71.831 1.00 61.53 ? 353 GLU B O 1 +ATOM 7114 C CB . GLU B 2 352 ? -14.512 -21.969 -71.141 1.00 54.80 ? 353 GLU B CB 1 +ATOM 7115 C CG . GLU B 2 352 ? -14.286 -21.598 -69.685 1.00 65.77 ? 353 GLU B CG 1 +ATOM 7116 C CD . GLU B 2 352 ? -15.539 -21.625 -68.838 1.00 81.17 ? 353 GLU B CD 1 +ATOM 7117 O OE1 . GLU B 2 352 ? -16.625 -21.935 -69.382 1.00 90.80 ? 353 GLU B OE1 1 +ATOM 7118 O OE2 . GLU B 2 352 ? -15.426 -21.344 -67.616 1.00 80.63 ? 353 GLU B OE2 1 +ATOM 7119 N N . LEU B 2 353 ? -11.272 -22.450 -70.601 1.00 59.50 ? 354 LEU B N 1 +ATOM 7120 C CA . LEU B 2 353 ? -10.266 -23.350 -70.056 1.00 54.55 ? 354 LEU B CA 1 +ATOM 7121 C C . LEU B 2 353 ? -10.345 -23.369 -68.530 1.00 61.61 ? 354 LEU B C 1 +ATOM 7122 O O . LEU B 2 353 ? -10.766 -22.396 -67.903 1.00 55.78 ? 354 LEU B O 1 +ATOM 7123 C CB . LEU B 2 353 ? -8.865 -22.944 -70.498 1.00 56.51 ? 354 LEU B CB 1 +ATOM 7124 C CG . LEU B 2 353 ? -8.650 -22.704 -71.982 1.00 67.35 ? 354 LEU B CG 1 +ATOM 7125 C CD1 . LEU B 2 353 ? -7.246 -22.152 -72.239 1.00 53.64 ? 354 LEU B CD1 1 +ATOM 7126 C CD2 . LEU B 2 353 ? -8.907 -23.993 -72.771 1.00 59.22 ? 354 LEU B CD2 1 +ATOM 7127 N N . PHE B 2 354 ? -9.929 -24.480 -67.931 1.00 57.47 ? 355 PHE B N 1 +ATOM 7128 C CA . PHE B 2 354 ? -10.032 -24.661 -66.486 1.00 60.66 ? 355 PHE B CA 1 +ATOM 7129 C C . PHE B 2 354 ? -8.668 -25.014 -65.916 1.00 54.29 ? 355 PHE B C 1 +ATOM 7130 O O . PHE B 2 354 ? -8.016 -25.951 -66.385 1.00 55.71 ? 355 PHE B O 1 +ATOM 7131 C CB . PHE B 2 354 ? -11.049 -25.754 -66.149 1.00 55.15 ? 355 PHE B CB 1 +ATOM 7132 C CG . PHE B 2 354 ? -12.359 -25.569 -66.839 1.00 76.40 ? 355 PHE B CG 1 +ATOM 7133 C CD1 . PHE B 2 354 ? -13.374 -24.825 -66.244 1.00 62.14 ? 355 PHE B CD1 1 +ATOM 7134 C CD2 . PHE B 2 354 ? -12.567 -26.098 -68.110 1.00 62.21 ? 355 PHE B CD2 1 +ATOM 7135 C CE1 . PHE B 2 354 ? -14.582 -24.635 -66.908 1.00 64.36 ? 355 PHE B CE1 1 +ATOM 7136 C CE2 . PHE B 2 354 ? -13.766 -25.909 -68.767 1.00 71.22 ? 355 PHE B CE2 1 +ATOM 7137 C CZ . PHE B 2 354 ? -14.772 -25.179 -68.166 1.00 60.98 ? 355 PHE B CZ 1 +ATOM 7138 N N . VAL B 2 355 ? -8.239 -24.247 -64.921 1.00 53.57 ? 356 VAL B N 1 +ATOM 7139 C CA . VAL B 2 355 ? -6.966 -24.500 -64.255 1.00 59.64 ? 356 VAL B CA 1 +ATOM 7140 C C . VAL B 2 355 ? -7.075 -25.762 -63.409 1.00 53.13 ? 356 VAL B C 1 +ATOM 7141 O O . VAL B 2 355 ? -8.051 -25.957 -62.674 1.00 56.53 ? 356 VAL B O 1 +ATOM 7142 C CB . VAL B 2 355 ? -6.569 -23.283 -63.403 1.00 56.49 ? 356 VAL B CB 1 +ATOM 7143 C CG1 . VAL B 2 355 ? -5.272 -23.524 -62.645 1.00 49.53 ? 356 VAL B CG1 1 +ATOM 7144 C CG2 . VAL B 2 355 ? -6.453 -22.053 -64.298 1.00 56.45 ? 356 VAL B CG2 1 +ATOM 7145 N N A ARG B 2 356 ? -6.090 -26.648 -63.541 0.50 50.98 ? 357 ARG B N 1 +ATOM 7146 N N B ARG B 2 356 ? -6.061 -26.617 -63.483 0.50 51.00 ? 357 ARG B N 1 +ATOM 7147 C CA A ARG B 2 356 ? -6.015 -27.820 -62.676 0.50 42.58 ? 357 ARG B CA 1 +ATOM 7148 C CA B ARG B 2 356 ? -6.041 -27.803 -62.640 0.50 42.61 ? 357 ARG B CA 1 +ATOM 7149 C C A ARG B 2 356 ? -5.687 -27.388 -61.246 0.50 51.75 ? 357 ARG B C 1 +ATOM 7150 C C B ARG B 2 356 ? -5.665 -27.409 -61.216 0.50 51.72 ? 357 ARG B C 1 +ATOM 7151 O O A ARG B 2 356 ? -4.659 -26.748 -61.002 0.50 47.51 ? 357 ARG B O 1 +ATOM 7152 O O B ARG B 2 356 ? -4.615 -26.802 -60.977 0.50 47.49 ? 357 ARG B O 1 +ATOM 7153 C CB A ARG B 2 356 ? -4.965 -28.795 -63.202 0.50 51.88 ? 357 ARG B CB 1 +ATOM 7154 C CB B ARG B 2 356 ? -5.080 -28.848 -63.185 0.50 52.03 ? 357 ARG B CB 1 +ATOM 7155 C CG A ARG B 2 356 ? -4.872 -30.107 -62.418 0.50 48.93 ? 357 ARG B CG 1 +ATOM 7156 C CG B ARG B 2 356 ? -5.621 -30.255 -63.003 0.50 57.74 ? 357 ARG B CG 1 +ATOM 7157 C CD A ARG B 2 356 ? -6.238 -30.778 -62.323 0.50 45.68 ? 357 ARG B CD 1 +ATOM 7158 C CD B ARG B 2 356 ? -4.613 -31.142 -62.347 0.50 55.61 ? 357 ARG B CD 1 +ATOM 7159 N NE A ARG B 2 356 ? -6.154 -32.143 -61.822 0.50 51.16 ? 357 ARG B NE 1 +ATOM 7160 N NE B ARG B 2 356 ? -5.226 -32.269 -61.650 0.50 54.99 ? 357 ARG B NE 1 +ATOM 7161 C CZ A ARG B 2 356 ? -6.012 -32.460 -60.542 0.50 55.68 ? 357 ARG B CZ 1 +ATOM 7162 C CZ B ARG B 2 356 ? -5.591 -33.414 -62.215 0.50 54.00 ? 357 ARG B CZ 1 +ATOM 7163 N NH1 A ARG B 2 356 ? -5.892 -31.528 -59.614 0.50 45.37 ? 357 ARG B NH1 1 +ATOM 7164 N NH1 B ARG B 2 356 ? -5.507 -33.606 -63.528 0.50 43.08 ? 357 ARG B NH1 1 +ATOM 7165 N NH2 A ARG B 2 356 ? -5.999 -33.742 -60.187 0.50 43.55 ? 357 ARG B NH2 1 +ATOM 7166 N NH2 B ARG B 2 356 ? -6.052 -34.393 -61.441 0.50 46.46 ? 357 ARG B NH2 1 +ATOM 7167 N N . ARG B 2 357 ? -6.530 -27.749 -60.274 1.00 42.51 ? 358 ARG B N 1 +ATOM 7168 C CA . ARG B 2 357 ? -6.326 -27.331 -58.892 1.00 50.99 ? 358 ARG B CA 1 +ATOM 7169 C C . ARG B 2 357 ? -5.197 -28.101 -58.201 1.00 51.14 ? 358 ARG B C 1 +ATOM 7170 O O . ARG B 2 357 ? -4.910 -29.253 -58.517 1.00 47.16 ? 358 ARG B O 1 +ATOM 7171 C CB . ARG B 2 357 ? -7.618 -27.493 -58.092 1.00 50.50 ? 358 ARG B CB 1 +ATOM 7172 C CG . ARG B 2 357 ? -8.591 -26.372 -58.323 1.00 47.27 ? 358 ARG B CG 1 +ATOM 7173 C CD . ARG B 2 357 ? -9.899 -26.622 -57.637 1.00 47.97 ? 358 ARG B CD 1 +ATOM 7174 N NE . ARG B 2 357 ? -10.743 -25.438 -57.697 1.00 51.63 ? 358 ARG B NE 1 +ATOM 7175 C CZ . ARG B 2 357 ? -11.725 -25.178 -56.847 1.00 51.21 ? 358 ARG B CZ 1 +ATOM 7176 N NH1 . ARG B 2 357 ? -12.048 -26.027 -55.886 1.00 49.81 ? 358 ARG B NH1 1 +ATOM 7177 N NH2 . ARG B 2 357 ? -12.384 -24.025 -56.950 1.00 51.70 ? 358 ARG B NH2 1 +ATOM 7178 N N . MET B 2 358 ? -4.559 -27.441 -57.242 1.00 53.58 ? 359 MET B N 1 +ATOM 7179 C CA . MET B 2 358 ? -3.494 -28.061 -56.434 1.00 51.25 ? 359 MET B CA 1 +ATOM 7180 C C . MET B 2 358 ? -4.068 -29.128 -55.507 1.00 47.42 ? 359 MET B C 1 +ATOM 7181 O O . MET B 2 358 ? -4.967 -28.820 -54.707 1.00 46.60 ? 359 MET B O 1 +ATOM 7182 C CB . MET B 2 358 ? -2.767 -26.984 -55.613 1.00 45.21 ? 359 MET B CB 1 +ATOM 7183 C CG . MET B 2 358 ? -1.816 -27.482 -54.531 1.00 45.47 ? 359 MET B CG 1 +ATOM 7184 S SD . MET B 2 358 ? -1.084 -26.114 -53.585 1.00 47.71 ? 359 MET B SD 1 +ATOM 7185 C CE . MET B 2 358 ? 0.538 -25.990 -54.366 1.00 41.14 ? 359 MET B CE 1 +ATOM 7186 N N . PRO B 2 359 ? -3.595 -30.374 -55.576 1.00 44.85 ? 360 PRO B N 1 +ATOM 7187 C CA . PRO B 2 359 ? -3.901 -31.343 -54.516 1.00 47.34 ? 360 PRO B CA 1 +ATOM 7188 C C . PRO B 2 359 ? -3.128 -31.012 -53.253 1.00 47.36 ? 360 PRO B C 1 +ATOM 7189 O O . PRO B 2 359 ? -2.030 -30.461 -53.306 1.00 47.21 ? 360 PRO B O 1 +ATOM 7190 C CB . PRO B 2 359 ? -3.440 -32.684 -55.107 1.00 49.83 ? 360 PRO B CB 1 +ATOM 7191 C CG . PRO B 2 359 ? -3.131 -32.416 -56.552 1.00 47.65 ? 360 PRO B CG 1 +ATOM 7192 C CD . PRO B 2 359 ? -2.769 -30.968 -56.639 1.00 42.85 ? 360 PRO B CD 1 +ATOM 7193 N N . ALA B 2 360 ? -3.718 -31.363 -52.105 1.00 44.55 ? 361 ALA B N 1 +ATOM 7194 C CA . ALA B 2 360 ? -3.126 -31.032 -50.810 1.00 42.33 ? 361 ALA B CA 1 +ATOM 7195 C C . ALA B 2 360 ? -1.718 -31.608 -50.636 1.00 50.53 ? 361 ALA B C 1 +ATOM 7196 O O . ALA B 2 360 ? -0.920 -31.043 -49.883 1.00 45.45 ? 361 ALA B O 1 +ATOM 7197 C CB . ALA B 2 360 ? -4.040 -31.531 -49.686 1.00 40.04 ? 361 ALA B CB 1 +ATOM 7198 N N . PHE B 2 361 ? -1.391 -32.730 -51.305 1.00 46.46 ? 362 PHE B N 1 +ATOM 7199 C CA . PHE B 2 361 ? -0.069 -33.344 -51.133 1.00 47.59 ? 362 PHE B CA 1 +ATOM 7200 C C . PHE B 2 361 ? 1.096 -32.420 -51.519 1.00 54.35 ? 362 PHE B C 1 +ATOM 7201 O O . PHE B 2 361 ? 2.199 -32.563 -50.971 1.00 40.88 ? 362 PHE B O 1 +ATOM 7202 C CB . PHE B 2 361 ? 0.034 -34.631 -51.947 1.00 41.75 ? 362 PHE B CB 1 +ATOM 7203 C CG . PHE B 2 361 ? -0.076 -35.869 -51.124 1.00 50.79 ? 362 PHE B CG 1 +ATOM 7204 C CD1 . PHE B 2 361 ? 0.700 -36.032 -50.002 1.00 51.65 ? 362 PHE B CD1 1 +ATOM 7205 C CD2 . PHE B 2 361 ? -0.956 -36.889 -51.486 1.00 51.43 ? 362 PHE B CD2 1 +ATOM 7206 C CE1 . PHE B 2 361 ? 0.590 -37.175 -49.234 1.00 47.17 ? 362 PHE B CE1 1 +ATOM 7207 C CE2 . PHE B 2 361 ? -1.064 -38.033 -50.731 1.00 45.33 ? 362 PHE B CE2 1 +ATOM 7208 C CZ . PHE B 2 361 ? -0.298 -38.178 -49.609 1.00 50.61 ? 362 PHE B CZ 1 +ATOM 7209 N N . PHE B 2 362 ? 0.890 -31.491 -52.460 1.00 41.13 ? 363 PHE B N 1 +ATOM 7210 C CA . PHE B 2 362 ? 1.986 -30.818 -53.157 1.00 46.02 ? 363 PHE B CA 1 +ATOM 7211 C C . PHE B 2 362 ? 2.286 -29.449 -52.536 1.00 41.46 ? 363 PHE B C 1 +ATOM 7212 O O . PHE B 2 362 ? 1.410 -28.578 -52.511 1.00 46.49 ? 363 PHE B O 1 +ATOM 7213 C CB . PHE B 2 362 ? 1.641 -30.621 -54.635 1.00 41.08 ? 363 PHE B CB 1 +ATOM 7214 C CG . PHE B 2 362 ? 1.511 -31.873 -55.426 1.00 44.35 ? 363 PHE B CG 1 +ATOM 7215 C CD1 . PHE B 2 362 ? 0.430 -32.722 -55.242 1.00 43.62 ? 363 PHE B CD1 1 +ATOM 7216 C CD2 . PHE B 2 362 ? 2.444 -32.176 -56.415 1.00 37.87 ? 363 PHE B CD2 1 +ATOM 7217 C CE1 . PHE B 2 362 ? 0.316 -33.887 -56.008 1.00 45.53 ? 363 PHE B CE1 1 +ATOM 7218 C CE2 . PHE B 2 362 ? 2.320 -33.318 -57.186 1.00 42.54 ? 363 PHE B CE2 1 +ATOM 7219 C CZ . PHE B 2 362 ? 1.256 -34.170 -56.988 1.00 45.71 ? 363 PHE B CZ 1 +ATOM 7220 N N . GLU B 2 363 ? 3.540 -29.236 -52.100 1.00 44.08 ? 364 GLU B N 1 +ATOM 7221 C CA . GLU B 2 363 ? 3.941 -27.900 -51.630 1.00 42.11 ? 364 GLU B CA 1 +ATOM 7222 C C . GLU B 2 363 ? 3.891 -26.898 -52.773 1.00 47.70 ? 364 GLU B C 1 +ATOM 7223 O O . GLU B 2 363 ? 3.611 -25.711 -52.567 1.00 45.24 ? 364 GLU B O 1 +ATOM 7224 C CB . GLU B 2 363 ? 5.357 -27.919 -51.022 1.00 40.63 ? 364 GLU B CB 1 +ATOM 7225 C CG . GLU B 2 363 ? 5.501 -28.619 -49.661 1.00 41.87 ? 364 GLU B CG 1 +ATOM 7226 C CD . GLU B 2 363 ? 4.783 -27.867 -48.539 1.00 46.09 ? 364 GLU B CD 1 +ATOM 7227 O OE1 . GLU B 2 363 ? 4.673 -26.625 -48.600 1.00 49.33 ? 364 GLU B OE1 1 +ATOM 7228 O OE2 . GLU B 2 363 ? 4.332 -28.506 -47.592 1.00 44.53 ? 364 GLU B OE2 1 +ATOM 7229 N N . SER B 2 364 ? 4.199 -27.356 -53.986 1.00 47.97 ? 365 SER B N 1 +ATOM 7230 C CA . SER B 2 364 ? 4.141 -26.542 -55.192 1.00 43.48 ? 365 SER B CA 1 +ATOM 7231 C C . SER B 2 364 ? 3.504 -27.372 -56.302 1.00 44.43 ? 365 SER B C 1 +ATOM 7232 O O . SER B 2 364 ? 3.426 -28.603 -56.221 1.00 47.72 ? 365 SER B O 1 +ATOM 7233 C CB . SER B 2 364 ? 5.529 -26.057 -55.626 1.00 44.67 ? 365 SER B CB 1 +ATOM 7234 O OG . SER B 2 364 ? 6.340 -27.143 -56.016 1.00 42.14 ? 365 SER B OG 1 +ATOM 7235 N N . PHE B 2 365 ? 3.055 -26.682 -57.355 1.00 46.48 ? 366 PHE B N 1 +ATOM 7236 C CA . PHE B 2 365 ? 2.290 -27.338 -58.398 1.00 48.31 ? 366 PHE B CA 1 +ATOM 7237 C C . PHE B 2 365 ? 2.392 -26.575 -59.711 1.00 41.91 ? 366 PHE B C 1 +ATOM 7238 O O . PHE B 2 365 ? 2.327 -25.337 -59.703 1.00 53.39 ? 366 PHE B O 1 +ATOM 7239 C CB . PHE B 2 365 ? 0.824 -27.477 -57.973 1.00 48.17 ? 366 PHE B CB 1 +ATOM 7240 C CG . PHE B 2 365 ? 0.101 -28.540 -58.717 1.00 54.16 ? 366 PHE B CG 1 +ATOM 7241 C CD1 . PHE B 2 365 ? 0.421 -29.877 -58.504 1.00 44.12 ? 366 PHE B CD1 1 +ATOM 7242 C CD2 . PHE B 2 365 ? -0.865 -28.214 -59.661 1.00 49.09 ? 366 PHE B CD2 1 +ATOM 7243 C CE1 . PHE B 2 365 ? -0.218 -30.885 -59.214 1.00 50.66 ? 366 PHE B CE1 1 +ATOM 7244 C CE2 . PHE B 2 365 ? -1.519 -29.225 -60.378 1.00 54.65 ? 366 PHE B CE2 1 +ATOM 7245 C CZ . PHE B 2 365 ? -1.186 -30.565 -60.159 1.00 51.50 ? 366 PHE B CZ 1 +ATOM 7246 N N . PRO B 2 366 ? 2.561 -27.249 -60.836 1.00 46.56 ? 367 PRO B N 1 +ATOM 7247 C CA . PRO B 2 366 ? 2.632 -26.523 -62.107 1.00 50.66 ? 367 PRO B CA 1 +ATOM 7248 C C . PRO B 2 366 ? 1.271 -25.946 -62.489 1.00 53.48 ? 367 PRO B C 1 +ATOM 7249 O O . PRO B 2 366 ? 0.227 -26.287 -61.929 1.00 51.89 ? 367 PRO B O 1 +ATOM 7250 C CB . PRO B 2 366 ? 3.091 -27.593 -63.100 1.00 46.63 ? 367 PRO B CB 1 +ATOM 7251 C CG . PRO B 2 366 ? 2.622 -28.873 -62.515 1.00 47.45 ? 367 PRO B CG 1 +ATOM 7252 C CD . PRO B 2 366 ? 2.645 -28.711 -61.022 1.00 46.20 ? 367 PRO B CD 1 +ATOM 7253 N N . VAL B 2 367 ? 1.291 -25.029 -63.439 1.00 51.37 ? 368 VAL B N 1 +ATOM 7254 C CA . VAL B 2 367 ? 0.074 -24.350 -63.872 1.00 53.83 ? 368 VAL B CA 1 +ATOM 7255 C C . VAL B 2 367 ? -0.327 -24.946 -65.216 1.00 51.36 ? 368 VAL B C 1 +ATOM 7256 O O . VAL B 2 367 ? 0.398 -24.811 -66.201 1.00 47.97 ? 368 VAL B O 1 +ATOM 7257 C CB . VAL B 2 367 ? 0.276 -22.832 -63.946 1.00 51.87 ? 368 VAL B CB 1 +ATOM 7258 C CG1 . VAL B 2 367 ? -0.969 -22.155 -64.527 1.00 55.79 ? 368 VAL B CG1 1 +ATOM 7259 C CG2 . VAL B 2 367 ? 0.610 -22.281 -62.551 1.00 52.43 ? 368 VAL B CG2 1 +ATOM 7260 N N . ILE B 2 368 ? -1.473 -25.620 -65.253 1.00 50.44 ? 369 ILE B N 1 +ATOM 7261 C CA . ILE B 2 368 ? -1.914 -26.377 -66.419 1.00 50.10 ? 369 ILE B CA 1 +ATOM 7262 C C . ILE B 2 368 ? -3.401 -26.126 -66.631 1.00 54.98 ? 369 ILE B C 1 +ATOM 7263 O O . ILE B 2 368 ? -4.191 -26.222 -65.689 1.00 51.71 ? 369 ILE B O 1 +ATOM 7264 C CB . ILE B 2 368 ? -1.622 -27.881 -66.245 1.00 62.62 ? 369 ILE B CB 1 +ATOM 7265 C CG1 . ILE B 2 368 ? -0.106 -28.098 -66.175 1.00 60.09 ? 369 ILE B CG1 1 +ATOM 7266 C CG2 . ILE B 2 368 ? -2.202 -28.695 -67.392 1.00 55.48 ? 369 ILE B CG2 1 +ATOM 7267 C CD1 . ILE B 2 368 ? 0.277 -29.500 -65.840 1.00 68.81 ? 369 ILE B CD1 1 +ATOM 7268 N N . LEU B 2 369 ? -3.788 -25.807 -67.867 1.00 49.35 ? 370 LEU B N 1 +ATOM 7269 C CA . LEU B 2 369 ? -5.176 -25.489 -68.185 1.00 49.63 ? 370 LEU B CA 1 +ATOM 7270 C C . LEU B 2 369 ? -5.696 -26.481 -69.214 1.00 51.66 ? 370 LEU B C 1 +ATOM 7271 O O . LEU B 2 369 ? -5.045 -26.716 -70.235 1.00 55.81 ? 370 LEU B O 1 +ATOM 7272 C CB . LEU B 2 369 ? -5.317 -24.048 -68.703 1.00 46.60 ? 370 LEU B CB 1 +ATOM 7273 C CG . LEU B 2 369 ? -5.345 -22.898 -67.685 1.00 54.90 ? 370 LEU B CG 1 +ATOM 7274 C CD1 . LEU B 2 369 ? -3.994 -22.711 -67.019 1.00 57.90 ? 370 LEU B CD1 1 +ATOM 7275 C CD2 . LEU B 2 369 ? -5.812 -21.581 -68.304 1.00 54.16 ? 370 LEU B CD2 1 +ATOM 7276 N N . THR B 2 370 ? -6.863 -27.057 -68.943 1.00 56.13 ? 371 THR B N 1 +ATOM 7277 C CA . THR B 2 370 ? -7.505 -27.997 -69.853 1.00 58.87 ? 371 THR B CA 1 +ATOM 7278 C C . THR B 2 370 ? -8.811 -27.422 -70.384 1.00 60.80 ? 371 THR B C 1 +ATOM 7279 O O . THR B 2 370 ? -9.361 -26.463 -69.842 1.00 59.38 ? 371 THR B O 1 +ATOM 7280 C CB . THR B 2 370 ? -7.792 -29.347 -69.170 1.00 59.15 ? 371 THR B CB 1 +ATOM 7281 O OG1 . THR B 2 370 ? -8.770 -29.163 -68.141 1.00 53.02 ? 371 THR B OG1 1 +ATOM 7282 C CG2 . THR B 2 370 ? -6.534 -29.937 -68.581 1.00 57.03 ? 371 THR B CG2 1 +ATOM 7283 N N . ASP B 2 371 ? -9.328 -28.053 -71.440 1.00 66.29 ? 372 ASP B N 1 +ATOM 7284 C CA . ASP B 2 371 ? -10.709 -27.802 -71.828 1.00 65.84 ? 372 ASP B CA 1 +ATOM 7285 C C . ASP B 2 371 ? -11.646 -28.653 -70.970 1.00 62.34 ? 372 ASP B C 1 +ATOM 7286 O O . ASP B 2 371 ? -11.221 -29.380 -70.071 1.00 68.45 ? 372 ASP B O 1 +ATOM 7287 C CB . ASP B 2 371 ? -10.915 -28.048 -73.325 1.00 76.48 ? 372 ASP B CB 1 +ATOM 7288 C CG . ASP B 2 371 ? -10.588 -29.472 -73.767 1.00 67.83 ? 372 ASP B CG 1 +ATOM 7289 O OD1 . ASP B 2 371 ? -10.540 -30.408 -72.947 1.00 70.39 ? 372 ASP B OD1 1 +ATOM 7290 O OD2 . ASP B 2 371 ? -10.369 -29.643 -74.984 1.00 91.64 ? 372 ASP B OD2 1 +ATOM 7291 N N . LYS B 2 372 ? -12.947 -28.548 -71.242 1.00 76.69 ? 373 LYS B N 1 +ATOM 7292 C CA . LYS B 2 372 ? -13.939 -29.270 -70.447 1.00 75.93 ? 373 LYS B CA 1 +ATOM 7293 C C . LYS B 2 372 ? -13.696 -30.776 -70.466 1.00 71.93 ? 373 LYS B C 1 +ATOM 7294 O O . LYS B 2 372 ? -14.084 -31.474 -69.524 1.00 91.31 ? 373 LYS B O 1 +ATOM 7295 C CB . LYS B 2 372 ? -15.340 -28.947 -70.964 1.00 93.61 ? 373 LYS B CB 1 +ATOM 7296 C CG . LYS B 2 372 ? -15.501 -29.229 -72.471 1.00 115.37 ? 373 LYS B CG 1 +ATOM 7297 C CD . LYS B 2 372 ? -16.747 -28.580 -73.066 1.00 112.20 ? 373 LYS B CD 1 +ATOM 7298 C CE . LYS B 2 372 ? -16.755 -28.714 -74.584 1.00 114.49 ? 373 LYS B CE 1 +ATOM 7299 N NZ . LYS B 2 372 ? -17.705 -27.760 -75.243 1.00 118.40 ? 373 LYS B NZ 1 +ATOM 7300 N N . ASN B 2 373 ? -13.036 -31.292 -71.508 1.00 80.14 ? 374 ASN B N 1 +ATOM 7301 C CA . ASN B 2 373 ? -12.758 -32.716 -71.651 1.00 77.51 ? 374 ASN B CA 1 +ATOM 7302 C C . ASN B 2 373 ? -11.392 -33.124 -71.123 1.00 81.23 ? 374 ASN B C 1 +ATOM 7303 O O . ASN B 2 373 ? -10.931 -34.222 -71.448 1.00 84.30 ? 374 ASN B O 1 +ATOM 7304 C CB . ASN B 2 373 ? -12.845 -33.143 -73.119 1.00 86.38 ? 374 ASN B CB 1 +ATOM 7305 C CG . ASN B 2 373 ? -14.173 -32.805 -73.758 1.00 89.49 ? 374 ASN B CG 1 +ATOM 7306 O OD1 . ASN B 2 373 ? -15.212 -32.761 -73.094 1.00 98.16 ? 374 ASN B OD1 1 +ATOM 7307 N ND2 . ASN B 2 373 ? -14.145 -32.563 -75.065 1.00 96.57 ? 374 ASN B ND2 1 +ATOM 7308 N N . GLY B 2 374 ? -10.719 -32.273 -70.353 1.00 69.41 ? 375 GLY B N 1 +ATOM 7309 C CA . GLY B 2 374 ? -9.445 -32.656 -69.775 1.00 74.00 ? 375 GLY B CA 1 +ATOM 7310 C C . GLY B 2 374 ? -8.260 -32.662 -70.721 1.00 77.10 ? 375 GLY B C 1 +ATOM 7311 O O . GLY B 2 374 ? -7.200 -33.182 -70.355 1.00 63.24 ? 375 GLY B O 1 +ATOM 7312 N N . VAL B 2 375 ? -8.393 -32.094 -71.911 1.00 62.22 ? 376 VAL B N 1 +ATOM 7313 C CA . VAL B 2 375 ? -7.282 -31.979 -72.848 1.00 71.25 ? 376 VAL B CA 1 +ATOM 7314 C C . VAL B 2 375 ? -6.477 -30.724 -72.520 1.00 68.50 ? 376 VAL B C 1 +ATOM 7315 O O . VAL B 2 375 ? -7.047 -29.645 -72.313 1.00 57.97 ? 376 VAL B O 1 +ATOM 7316 C CB . VAL B 2 375 ? -7.797 -31.945 -74.295 1.00 71.95 ? 376 VAL B CB 1 +ATOM 7317 C CG1 . VAL B 2 375 ? -6.641 -31.756 -75.271 1.00 65.57 ? 376 VAL B CG1 1 +ATOM 7318 C CG2 . VAL B 2 375 ? -8.563 -33.225 -74.601 1.00 67.10 ? 376 VAL B CG2 1 +ATOM 7319 N N . VAL B 2 376 ? -5.153 -30.864 -72.472 1.00 52.16 ? 377 VAL B N 1 +ATOM 7320 C CA . VAL B 2 376 ? -4.293 -29.750 -72.102 1.00 62.02 ? 377 VAL B CA 1 +ATOM 7321 C C . VAL B 2 376 ? -4.310 -28.719 -73.220 1.00 65.81 ? 377 VAL B C 1 +ATOM 7322 O O . VAL B 2 376 ? -3.988 -29.028 -74.371 1.00 65.25 ? 377 VAL B O 1 +ATOM 7323 C CB . VAL B 2 376 ? -2.865 -30.227 -71.813 1.00 63.96 ? 377 VAL B CB 1 +ATOM 7324 C CG1 . VAL B 2 376 ? -1.913 -29.027 -71.741 1.00 54.61 ? 377 VAL B CG1 1 +ATOM 7325 C CG2 . VAL B 2 376 ? -2.834 -31.009 -70.489 1.00 62.33 ? 377 VAL B CG2 1 +ATOM 7326 N N . LYS B 2 377 ? -4.669 -27.482 -72.882 1.00 59.13 ? 378 LYS B N 1 +ATOM 7327 C CA . LYS B 2 377 ? -4.698 -26.406 -73.865 1.00 62.75 ? 378 LYS B CA 1 +ATOM 7328 C C . LYS B 2 377 ? -3.703 -25.281 -73.604 1.00 58.71 ? 378 LYS B C 1 +ATOM 7329 O O . LYS B 2 377 ? -3.366 -24.554 -74.544 1.00 58.57 ? 378 LYS B O 1 +ATOM 7330 C CB . LYS B 2 377 ? -6.109 -25.801 -73.961 1.00 58.88 ? 378 LYS B CB 1 +ATOM 7331 C CG . LYS B 2 377 ? -7.158 -26.762 -74.548 1.00 66.13 ? 378 LYS B CG 1 +ATOM 7332 C CD . LYS B 2 377 ? -6.814 -27.144 -75.970 1.00 69.45 ? 378 LYS B CD 1 +ATOM 7333 C CE . LYS B 2 377 ? -7.957 -27.884 -76.657 1.00 87.69 ? 378 LYS B CE 1 +ATOM 7334 N NZ . LYS B 2 377 ? -8.996 -26.961 -77.203 1.00 92.62 ? 378 LYS B NZ 1 +ATOM 7335 N N . ALA B 2 378 ? -3.243 -25.099 -72.371 1.00 55.96 ? 379 ALA B N 1 +ATOM 7336 C CA . ALA B 2 378 ? -2.266 -24.060 -72.083 1.00 54.09 ? 379 ALA B CA 1 +ATOM 7337 C C . ALA B 2 378 ? -1.576 -24.414 -70.774 1.00 61.84 ? 379 ALA B C 1 +ATOM 7338 O O . ALA B 2 378 ? -2.108 -25.184 -69.964 1.00 55.56 ? 379 ALA B O 1 +ATOM 7339 C CB . ALA B 2 378 ? -2.917 -22.671 -72.016 1.00 44.77 ? 379 ALA B CB 1 +ATOM 7340 N N . ASP B 2 379 ? -0.377 -23.862 -70.582 1.00 40.67 ? 380 ASP B N 1 +ATOM 7341 C CA . ASP B 2 379 ? 0.355 -24.086 -69.346 1.00 48.57 ? 380 ASP B CA 1 +ATOM 7342 C C . ASP B 2 379 ? 1.407 -22.995 -69.205 1.00 51.47 ? 380 ASP B C 1 +ATOM 7343 O O . ASP B 2 379 ? 1.628 -22.198 -70.117 1.00 49.66 ? 380 ASP B O 1 +ATOM 7344 C CB . ASP B 2 379 ? 0.978 -25.504 -69.313 1.00 44.85 ? 380 ASP B CB 1 +ATOM 7345 C CG . ASP B 2 379 ? 1.987 -25.743 -70.436 1.00 49.93 ? 380 ASP B CG 1 +ATOM 7346 O OD1 . ASP B 2 379 ? 2.734 -24.811 -70.832 1.00 50.34 ? 380 ASP B OD1 1 +ATOM 7347 O OD2 . ASP B 2 379 ? 2.057 -26.885 -70.918 1.00 54.38 ? 380 ASP B OD2 1 +ATOM 7348 N N . ILE B 2 380 ? 2.061 -22.961 -68.046 1.00 57.33 ? 381 ILE B N 1 +ATOM 7349 C CA . ILE B 2 380 ? 3.227 -22.102 -67.862 1.00 47.15 ? 381 ILE B CA 1 +ATOM 7350 C C . ILE B 2 380 ? 4.465 -22.984 -68.016 1.00 50.64 ? 381 ILE B C 1 +ATOM 7351 O O . ILE B 2 380 ? 4.705 -23.853 -67.162 1.00 49.05 ? 381 ILE B O 1 +ATOM 7352 C CB . ILE B 2 380 ? 3.192 -21.359 -66.522 1.00 53.72 ? 381 ILE B CB 1 +ATOM 7353 C CG1 . ILE B 2 380 ? 2.014 -20.379 -66.523 1.00 50.01 ? 381 ILE B CG1 1 +ATOM 7354 C CG2 . ILE B 2 380 ? 4.488 -20.588 -66.295 1.00 45.74 ? 381 ILE B CG2 1 +ATOM 7355 C CD1 . ILE B 2 380 ? 1.830 -19.641 -65.181 1.00 47.63 ? 381 ILE B CD1 1 +ATOM 7356 N N . PRO B 2 381 ? 5.220 -22.851 -69.099 1.00 49.94 ? 382 PRO B N 1 +ATOM 7357 C CA . PRO B 2 381 ? 6.320 -23.778 -69.354 1.00 46.16 ? 382 PRO B CA 1 +ATOM 7358 C C . PRO B 2 381 ? 7.536 -23.515 -68.475 1.00 50.14 ? 382 PRO B C 1 +ATOM 7359 O O . PRO B 2 381 ? 7.788 -22.400 -68.013 1.00 49.06 ? 382 PRO B O 1 +ATOM 7360 C CB . PRO B 2 381 ? 6.661 -23.510 -70.821 1.00 48.80 ? 382 PRO B CB 1 +ATOM 7361 C CG . PRO B 2 381 ? 6.275 -22.048 -71.015 1.00 47.52 ? 382 PRO B CG 1 +ATOM 7362 C CD . PRO B 2 381 ? 5.012 -21.907 -70.216 1.00 46.24 ? 382 PRO B CD 1 +ATOM 7363 N N A PHE B 2 382 ? 8.309 -24.576 -68.268 0.40 46.66 ? 383 PHE B N 1 +ATOM 7364 N N B PHE B 2 382 ? 8.279 -24.595 -68.239 0.60 46.72 ? 383 PHE B N 1 +ATOM 7365 C CA A PHE B 2 382 ? 9.584 -24.495 -67.554 0.40 50.29 ? 383 PHE B CA 1 +ATOM 7366 C CA B PHE B 2 382 ? 9.576 -24.531 -67.560 0.60 50.42 ? 383 PHE B CA 1 +ATOM 7367 C C A PHE B 2 382 ? 10.671 -24.232 -68.598 0.40 47.56 ? 383 PHE B C 1 +ATOM 7368 C C B PHE B 2 382 ? 10.650 -24.274 -68.618 0.60 47.58 ? 383 PHE B C 1 +ATOM 7369 O O A PHE B 2 382 ? 11.237 -23.139 -68.655 0.40 51.46 ? 383 PHE B O 1 +ATOM 7370 O O B PHE B 2 382 ? 11.246 -23.195 -68.660 0.60 51.51 ? 383 PHE B O 1 +ATOM 7371 C CB A PHE B 2 382 ? 9.787 -25.786 -66.748 0.40 44.19 ? 383 PHE B CB 1 +ATOM 7372 C CB B PHE B 2 382 ? 9.804 -25.823 -66.764 0.60 44.08 ? 383 PHE B CB 1 +ATOM 7373 C CG A PHE B 2 382 ? 10.907 -25.735 -65.753 0.40 48.20 ? 383 PHE B CG 1 +ATOM 7374 C CG B PHE B 2 382 ? 10.926 -25.746 -65.767 0.60 48.32 ? 383 PHE B CG 1 +ATOM 7375 C CD1 A PHE B 2 382 ? 12.213 -25.986 -66.150 0.40 43.41 ? 383 PHE B CD1 1 +ATOM 7376 C CD1 B PHE B 2 382 ? 12.233 -25.983 -66.158 0.60 43.35 ? 383 PHE B CD1 1 +ATOM 7377 C CD2 A PHE B 2 382 ? 10.650 -25.468 -64.407 0.40 42.30 ? 383 PHE B CD2 1 +ATOM 7378 C CD2 B PHE B 2 382 ? 10.671 -25.449 -64.432 0.60 42.19 ? 383 PHE B CD2 1 +ATOM 7379 C CE1 A PHE B 2 382 ? 13.258 -25.958 -65.220 0.40 46.16 ? 383 PHE B CE1 1 +ATOM 7380 C CE1 B PHE B 2 382 ? 13.267 -25.927 -65.238 0.60 46.23 ? 383 PHE B CE1 1 +ATOM 7381 C CE2 A PHE B 2 382 ? 11.687 -25.437 -63.476 0.40 46.70 ? 383 PHE B CE2 1 +ATOM 7382 C CE2 B PHE B 2 382 ? 11.705 -25.394 -63.509 0.60 46.83 ? 383 PHE B CE2 1 +ATOM 7383 C CZ A PHE B 2 382 ? 12.993 -25.685 -63.883 0.40 42.72 ? 383 PHE B CZ 1 +ATOM 7384 C CZ B PHE B 2 382 ? 13.002 -25.639 -63.916 0.60 42.75 ? 383 PHE B CZ 1 +ATOM 7385 N N A ARG B 2 383 ? 10.941 -25.210 -69.461 0.40 45.92 ? 384 ARG B N 1 +ATOM 7386 N N B ARG B 2 383 ? 10.889 -25.244 -69.497 0.60 45.83 ? 384 ARG B N 1 +ATOM 7387 C CA A ARG B 2 383 ? 11.802 -24.984 -70.619 0.40 50.95 ? 384 ARG B CA 1 +ATOM 7388 C CA B ARG B 2 383 ? 11.767 -25.014 -70.639 0.60 50.96 ? 384 ARG B CA 1 +ATOM 7389 C C A ARG B 2 383 ? 11.000 -24.254 -71.697 0.40 60.15 ? 384 ARG B C 1 +ATOM 7390 C C B ARG B 2 383 ? 10.995 -24.272 -71.729 0.60 60.40 ? 384 ARG B C 1 +ATOM 7391 O O A ARG B 2 383 ? 9.950 -24.752 -72.122 0.40 51.46 ? 384 ARG B O 1 +ATOM 7392 O O B ARG B 2 383 ? 9.987 -24.783 -72.230 0.60 51.59 ? 384 ARG B O 1 +ATOM 7393 C CB A ARG B 2 383 ? 12.341 -26.309 -71.158 0.40 50.64 ? 384 ARG B CB 1 +ATOM 7394 C CB B ARG B 2 383 ? 12.310 -26.337 -71.168 0.60 50.61 ? 384 ARG B CB 1 +ATOM 7395 C CG A ARG B 2 383 ? 13.533 -26.860 -70.399 0.40 48.88 ? 384 ARG B CG 1 +ATOM 7396 C CG B ARG B 2 383 ? 13.460 -26.904 -70.358 0.60 48.85 ? 384 ARG B CG 1 +ATOM 7397 C CD A ARG B 2 383 ? 13.984 -28.215 -70.946 0.40 49.93 ? 384 ARG B CD 1 +ATOM 7398 C CD B ARG B 2 383 ? 13.932 -28.228 -70.936 0.60 49.90 ? 384 ARG B CD 1 +ATOM 7399 N NE A ARG B 2 383 ? 15.207 -28.667 -70.282 0.40 52.44 ? 384 ARG B NE 1 +ATOM 7400 N NE B ARG B 2 383 ? 15.157 -28.683 -70.287 0.60 52.54 ? 384 ARG B NE 1 +ATOM 7401 C CZ A ARG B 2 383 ? 15.881 -29.762 -70.606 0.40 50.65 ? 384 ARG B CZ 1 +ATOM 7402 C CZ B ARG B 2 383 ? 15.821 -29.782 -70.620 0.60 50.73 ? 384 ARG B CZ 1 +ATOM 7403 N NH1 A ARG B 2 383 ? 15.446 -30.584 -71.544 0.40 42.82 ? 384 ARG B NH1 1 +ATOM 7404 N NH1 B ARG B 2 383 ? 15.379 -30.595 -71.569 0.60 42.59 ? 384 ARG B NH1 1 +ATOM 7405 N NH2 A ARG B 2 383 ? 17.024 -30.035 -69.975 0.40 46.65 ? 384 ARG B NH2 1 +ATOM 7406 N NH2 B ARG B 2 383 ? 16.958 -30.070 -69.988 0.60 46.71 ? 384 ARG B NH2 1 +ATOM 7407 N N . ARG B 2 384 ? 11.453 -23.065 -72.094 1.00 49.16 ? 385 ARG B N 1 +ATOM 7408 C CA . ARG B 2 384 ? 10.709 -22.287 -73.087 1.00 53.67 ? 385 ARG B CA 1 +ATOM 7409 C C . ARG B 2 384 ? 10.961 -22.753 -74.515 1.00 55.41 ? 385 ARG B C 1 +ATOM 7410 O O . ARG B 2 384 ? 10.056 -22.646 -75.348 1.00 54.25 ? 385 ARG B O 1 +ATOM 7411 C CB . ARG B 2 384 ? 11.035 -20.788 -73.009 1.00 54.82 ? 385 ARG B CB 1 +ATOM 7412 C CG . ARG B 2 384 ? 11.022 -20.126 -71.628 1.00 62.77 ? 385 ARG B CG 1 +ATOM 7413 C CD . ARG B 2 384 ? 9.816 -20.453 -70.779 1.00 55.17 ? 385 ARG B CD 1 +ATOM 7414 N NE . ARG B 2 384 ? 9.524 -19.348 -69.868 1.00 54.87 ? 385 ARG B NE 1 +ATOM 7415 C CZ . ARG B 2 384 ? 9.902 -19.280 -68.597 1.00 59.78 ? 385 ARG B CZ 1 +ATOM 7416 N NH1 . ARG B 2 384 ? 10.602 -20.255 -68.019 1.00 50.13 ? 385 ARG B NH1 1 +ATOM 7417 N NH2 . ARG B 2 384 ? 9.567 -18.210 -67.887 1.00 48.75 ? 385 ARG B NH2 1 +ATOM 7418 N N . ALA B 2 385 ? 12.148 -23.310 -74.801 1.00 50.47 ? 386 ALA B N 1 +ATOM 7419 C CA . ALA B 2 385 ? 12.610 -23.537 -76.174 1.00 52.09 ? 386 ALA B CA 1 +ATOM 7420 C C . ALA B 2 385 ? 11.835 -24.598 -76.937 1.00 66.54 ? 386 ALA B C 1 +ATOM 7421 O O . ALA B 2 385 ? 12.018 -24.708 -78.155 1.00 89.42 ? 386 ALA B O 1 +ATOM 7422 C CB . ALA B 2 385 ? 14.085 -23.928 -76.208 1.00 58.04 ? 386 ALA B CB 1 +ATOM 7423 N N . GLU B 2 386 ? 11.015 -25.409 -76.295 1.00 67.61 ? 387 GLU B N 1 +ATOM 7424 C CA . GLU B 2 386 ? 10.115 -26.211 -77.114 1.00 86.39 ? 387 GLU B CA 1 +ATOM 7425 C C . GLU B 2 386 ? 8.693 -26.118 -76.585 1.00 68.66 ? 387 GLU B C 1 +ATOM 7426 O O . GLU B 2 386 ? 7.909 -27.057 -76.719 1.00 64.92 ? 387 GLU B O 1 +ATOM 7427 C CB . GLU B 2 386 ? 10.594 -27.664 -77.216 1.00 98.75 ? 387 GLU B CB 1 +ATOM 7428 C CG . GLU B 2 386 ? 11.582 -27.888 -78.383 1.00 79.12 ? 387 GLU B CG 1 +ATOM 7429 C CD . GLU B 2 386 ? 12.293 -29.247 -78.354 1.00 124.27 ? 387 GLU B CD 1 +ATOM 7430 O OE1 . GLU B 2 386 ? 11.819 -30.182 -77.655 1.00 136.24 ? 387 GLU B OE1 1 +ATOM 7431 O OE2 . GLU B 2 386 ? 13.340 -29.370 -79.037 1.00 109.93 ? 387 GLU B OE2 1 +ATOM 7432 N N . SER B 2 387 ? 8.358 -24.980 -75.984 1.00 56.08 ? 388 SER B N 1 +ATOM 7433 C CA . SER B 2 387 ? 6.992 -24.722 -75.560 1.00 58.18 ? 388 SER B CA 1 +ATOM 7434 C C . SER B 2 387 ? 6.034 -24.723 -76.753 1.00 60.63 ? 388 SER B C 1 +ATOM 7435 O O . SER B 2 387 ? 6.312 -24.121 -77.798 1.00 57.32 ? 388 SER B O 1 +ATOM 7436 C CB . SER B 2 387 ? 6.937 -23.374 -74.845 1.00 53.49 ? 388 SER B CB 1 +ATOM 7437 O OG . SER B 2 387 ? 5.597 -23.002 -74.574 1.00 66.67 ? 388 SER B OG 1 +ATOM 7438 N N . LYS B 2 388 ? 4.903 -25.406 -76.604 1.00 50.73 ? 389 LYS B N 1 +ATOM 7439 C CA . LYS B 2 388 ? 3.802 -25.222 -77.534 1.00 55.80 ? 389 LYS B CA 1 +ATOM 7440 C C . LYS B 2 388 ? 2.532 -24.717 -76.873 1.00 62.68 ? 389 LYS B C 1 +ATOM 7441 O O . LYS B 2 388 ? 1.604 -24.324 -77.586 1.00 57.19 ? 389 LYS B O 1 +ATOM 7442 C CB . LYS B 2 388 ? 3.479 -26.524 -78.285 1.00 59.93 ? 389 LYS B CB 1 +ATOM 7443 C CG . LYS B 2 388 ? 4.398 -27.693 -77.983 1.00 78.80 ? 389 LYS B CG 1 +ATOM 7444 C CD . LYS B 2 388 ? 5.318 -28.032 -79.154 1.00 87.23 ? 389 LYS B CD 1 +ATOM 7445 C CE . LYS B 2 388 ? 6.162 -29.276 -78.830 1.00 103.59 ? 389 LYS B CE 1 +ATOM 7446 N NZ . LYS B 2 388 ? 6.718 -29.926 -80.055 1.00 129.63 ? 389 LYS B NZ 1 +ATOM 7447 N N . TYR B 2 389 ? 2.460 -24.700 -75.542 1.00 56.97 ? 390 TYR B N 1 +ATOM 7448 C CA . TYR B 2 389 ? 1.217 -24.371 -74.856 1.00 50.99 ? 390 TYR B CA 1 +ATOM 7449 C C . TYR B 2 389 ? 1.280 -23.077 -74.063 1.00 54.29 ? 390 TYR B C 1 +ATOM 7450 O O . TYR B 2 389 ? 0.389 -22.833 -73.234 1.00 54.29 ? 390 TYR B O 1 +ATOM 7451 C CB . TYR B 2 389 ? 0.808 -25.512 -73.931 1.00 50.44 ? 390 TYR B CB 1 +ATOM 7452 C CG . TYR B 2 389 ? 0.535 -26.805 -74.644 1.00 56.52 ? 390 TYR B CG 1 +ATOM 7453 C CD1 . TYR B 2 389 ? -0.606 -26.960 -75.414 1.00 64.68 ? 390 TYR B CD1 1 +ATOM 7454 C CD2 . TYR B 2 389 ? 1.402 -27.884 -74.526 1.00 60.26 ? 390 TYR B CD2 1 +ATOM 7455 C CE1 . TYR B 2 389 ? -0.874 -28.145 -76.060 1.00 66.50 ? 390 TYR B CE1 1 +ATOM 7456 C CE2 . TYR B 2 389 ? 1.143 -29.076 -75.170 1.00 64.04 ? 390 TYR B CE2 1 +ATOM 7457 C CZ . TYR B 2 389 ? -0.001 -29.197 -75.937 1.00 66.48 ? 390 TYR B CZ 1 +ATOM 7458 O OH . TYR B 2 389 ? -0.290 -30.367 -76.587 1.00 74.67 ? 390 TYR B OH 1 +ATOM 7459 N N . SER B 2 390 ? 2.280 -22.235 -74.304 1.00 48.69 ? 391 SER B N 1 +ATOM 7460 C CA . SER B 2 390 ? 2.432 -21.016 -73.528 1.00 48.21 ? 391 SER B CA 1 +ATOM 7461 C C . SER B 2 390 ? 1.191 -20.139 -73.670 1.00 52.42 ? 391 SER B C 1 +ATOM 7462 O O . SER B 2 390 ? 0.458 -20.222 -74.656 1.00 55.19 ? 391 SER B O 1 +ATOM 7463 C CB . SER B 2 390 ? 3.680 -20.259 -73.985 1.00 47.93 ? 391 SER B CB 1 +ATOM 7464 O OG . SER B 2 390 ? 3.445 -19.636 -75.220 1.00 51.15 ? 391 SER B OG 1 +ATOM 7465 N N . PHE B 2 391 ? 0.938 -19.321 -72.645 1.00 51.40 ? 392 PHE B N 1 +ATOM 7466 C CA . PHE B 2 391 ? -0.179 -18.386 -72.697 1.00 58.65 ? 392 PHE B CA 1 +ATOM 7467 C C . PHE B 2 391 ? -0.020 -17.417 -73.858 1.00 60.93 ? 392 PHE B C 1 +ATOM 7468 O O . PHE B 2 391 ? -1.020 -16.950 -74.416 1.00 53.37 ? 392 PHE B O 1 +ATOM 7469 C CB . PHE B 2 391 ? -0.288 -17.574 -71.388 1.00 50.77 ? 392 PHE B CB 1 +ATOM 7470 C CG . PHE B 2 391 ? -0.874 -18.334 -70.209 1.00 55.16 ? 392 PHE B CG 1 +ATOM 7471 C CD1 . PHE B 2 391 ? -0.754 -19.709 -70.098 1.00 53.09 ? 392 PHE B CD1 1 +ATOM 7472 C CD2 . PHE B 2 391 ? -1.537 -17.643 -69.195 1.00 54.12 ? 392 PHE B CD2 1 +ATOM 7473 C CE1 . PHE B 2 391 ? -1.292 -20.381 -68.980 1.00 63.78 ? 392 PHE B CE1 1 +ATOM 7474 C CE2 . PHE B 2 391 ? -2.067 -18.287 -68.108 1.00 51.32 ? 392 PHE B CE2 1 +ATOM 7475 C CZ . PHE B 2 391 ? -1.950 -19.652 -67.984 1.00 51.81 ? 392 PHE B CZ 1 +ATOM 7476 N N . GLU B 2 392 ? 1.233 -17.068 -74.187 1.00 54.61 ? 393 GLU B N 1 +ATOM 7477 C CA . GLU B 2 392 ? 1.520 -16.175 -75.301 1.00 52.95 ? 393 GLU B CA 1 +ATOM 7478 C C . GLU B 2 392 ? 1.145 -16.817 -76.634 1.00 57.56 ? 393 GLU B C 1 +ATOM 7479 O O . GLU B 2 392 ? 0.528 -16.171 -77.483 1.00 64.79 ? 393 GLU B O 1 +ATOM 7480 C CB . GLU B 2 392 ? 2.999 -15.783 -75.285 1.00 48.06 ? 393 GLU B CB 1 +ATOM 7481 C CG . GLU B 2 392 ? 3.407 -14.861 -74.140 1.00 49.46 ? 393 GLU B CG 1 +ATOM 7482 C CD . GLU B 2 392 ? 3.758 -15.646 -72.879 1.00 58.22 ? 393 GLU B CD 1 +ATOM 7483 O OE1 . GLU B 2 392 ? 3.392 -16.845 -72.803 1.00 52.11 ? 393 GLU B OE1 1 +ATOM 7484 O OE2 . GLU B 2 392 ? 4.407 -15.077 -71.975 1.00 55.98 ? 393 GLU B OE2 1 +ATOM 7485 N N . GLN B 2 393 ? 1.501 -18.085 -76.831 1.00 56.05 ? 394 GLN B N 1 +ATOM 7486 C CA . GLN B 2 393 ? 1.121 -18.788 -78.046 1.00 48.13 ? 394 GLN B CA 1 +ATOM 7487 C C . GLN B 2 393 ? -0.382 -19.013 -78.127 1.00 67.33 ? 394 GLN B C 1 +ATOM 7488 O O . GLN B 2 393 ? -0.940 -19.036 -79.225 1.00 58.01 ? 394 GLN B O 1 +ATOM 7489 C CB . GLN B 2 393 ? 1.841 -20.144 -78.119 1.00 54.46 ? 394 GLN B CB 1 +ATOM 7490 C CG . GLN B 2 393 ? 3.300 -20.060 -78.523 1.00 55.51 ? 394 GLN B CG 1 +ATOM 7491 C CD . GLN B 2 393 ? 4.097 -21.276 -78.093 1.00 64.83 ? 394 GLN B CD 1 +ATOM 7492 O OE1 . GLN B 2 393 ? 4.087 -21.642 -76.926 1.00 58.40 ? 394 GLN B OE1 1 +ATOM 7493 N NE2 . GLN B 2 393 ? 4.814 -21.892 -79.030 1.00 49.49 ? 394 GLN B NE2 1 +ATOM 7494 N N . GLN B 2 394 ? -1.054 -19.230 -76.995 1.00 60.98 ? 395 GLN B N 1 +ATOM 7495 C CA . GLN B 2 394 ? -2.444 -19.668 -77.019 1.00 54.69 ? 395 GLN B CA 1 +ATOM 7496 C C . GLN B 2 394 ? -3.423 -18.527 -76.827 1.00 54.43 ? 395 GLN B C 1 +ATOM 7497 O O . GLN B 2 394 ? -4.631 -18.757 -76.869 1.00 58.98 ? 395 GLN B O 1 +ATOM 7498 C CB . GLN B 2 394 ? -2.685 -20.745 -75.954 1.00 54.20 ? 395 GLN B CB 1 +ATOM 7499 C CG . GLN B 2 394 ? -1.872 -21.993 -76.166 1.00 60.76 ? 395 GLN B CG 1 +ATOM 7500 C CD . GLN B 2 394 ? -2.131 -22.614 -77.536 1.00 73.55 ? 395 GLN B CD 1 +ATOM 7501 O OE1 . GLN B 2 394 ? -3.265 -22.635 -78.020 1.00 58.55 ? 395 GLN B OE1 1 +ATOM 7502 N NE2 . GLN B 2 394 ? -1.076 -23.122 -78.162 1.00 64.59 ? 395 GLN B NE2 1 +ATOM 7503 N N . GLY B 2 395 ? -2.932 -17.314 -76.611 1.00 50.88 ? 396 GLY B N 1 +ATOM 7504 C CA . GLY B 2 395 ? -3.797 -16.161 -76.464 1.00 59.18 ? 396 GLY B CA 1 +ATOM 7505 C C . GLY B 2 395 ? -4.737 -16.262 -75.279 1.00 73.88 ? 396 GLY B C 1 +ATOM 7506 O O . GLY B 2 395 ? -5.931 -15.963 -75.411 1.00 60.19 ? 396 GLY B O 1 +ATOM 7507 N N . VAL B 2 396 ? -4.214 -16.663 -74.110 1.00 66.95 ? 397 VAL B N 1 +ATOM 7508 C CA . VAL B 2 396 ? -5.057 -16.888 -72.936 1.00 55.43 ? 397 VAL B CA 1 +ATOM 7509 C C . VAL B 2 396 ? -5.422 -15.554 -72.302 1.00 52.76 ? 397 VAL B C 1 +ATOM 7510 O O . VAL B 2 396 ? -4.564 -14.685 -72.095 1.00 55.93 ? 397 VAL B O 1 +ATOM 7511 C CB . VAL B 2 396 ? -4.367 -17.818 -71.918 1.00 54.76 ? 397 VAL B CB 1 +ATOM 7512 C CG1 . VAL B 2 396 ? -5.332 -18.152 -70.794 1.00 50.50 ? 397 VAL B CG1 1 +ATOM 7513 C CG2 . VAL B 2 396 ? -3.867 -19.095 -72.591 1.00 54.29 ? 397 VAL B CG2 1 +ATOM 7514 N N . THR B 2 397 ? -6.698 -15.394 -71.970 1.00 54.50 ? 398 THR B N 1 +ATOM 7515 C CA . THR B 2 397 ? -7.174 -14.210 -71.266 1.00 57.64 ? 398 THR B CA 1 +ATOM 7516 C C . THR B 2 397 ? -7.933 -14.654 -70.019 1.00 50.95 ? 398 THR B C 1 +ATOM 7517 O O . THR B 2 397 ? -8.333 -15.815 -69.890 1.00 54.67 ? 398 THR B O 1 +ATOM 7518 C CB . THR B 2 397 ? -8.095 -13.356 -72.154 1.00 59.95 ? 398 THR B CB 1 +ATOM 7519 O OG1 . THR B 2 397 ? -9.303 -14.084 -72.401 1.00 57.40 ? 398 THR B OG1 1 +ATOM 7520 C CG2 . THR B 2 397 ? -7.427 -13.047 -73.500 1.00 49.71 ? 398 THR B CG2 1 +ATOM 7521 N N . VAL B 2 398 ? -8.148 -13.729 -69.087 1.00 58.94 ? 399 VAL B N 1 +ATOM 7522 C CA . VAL B 2 398 ? -8.977 -14.046 -67.930 1.00 62.37 ? 399 VAL B CA 1 +ATOM 7523 C C . VAL B 2 398 ? -10.025 -12.959 -67.763 1.00 50.28 ? 399 VAL B C 1 +ATOM 7524 O O . VAL B 2 398 ? -9.731 -11.771 -67.903 1.00 58.60 ? 399 VAL B O 1 +ATOM 7525 C CB . VAL B 2 398 ? -8.142 -14.248 -66.640 1.00 58.63 ? 399 VAL B CB 1 +ATOM 7526 C CG1 . VAL B 2 398 ? -7.359 -12.988 -66.273 1.00 55.21 ? 399 VAL B CG1 1 +ATOM 7527 C CG2 . VAL B 2 398 ? -9.030 -14.707 -65.487 1.00 49.00 ? 399 VAL B CG2 1 +ATOM 7528 N N . SER B 2 399 ? -11.255 -13.380 -67.504 1.00 55.38 ? 400 SER B N 1 +ATOM 7529 C CA . SER B 2 399 ? -12.363 -12.509 -67.149 1.00 71.71 ? 400 SER B CA 1 +ATOM 7530 C C . SER B 2 399 ? -12.870 -12.875 -65.759 1.00 60.75 ? 400 SER B C 1 +ATOM 7531 O O . SER B 2 399 ? -12.864 -14.045 -65.369 1.00 64.25 ? 400 SER B O 1 +ATOM 7532 C CB . SER B 2 399 ? -13.506 -12.625 -68.170 1.00 61.07 ? 400 SER B CB 1 +ATOM 7533 O OG . SER B 2 399 ? -13.048 -12.216 -69.445 1.00 67.72 ? 400 SER B OG 1 +ATOM 7534 N N . PHE B 2 400 ? -13.316 -11.870 -65.017 1.00 57.22 ? 401 PHE B N 1 +ATOM 7535 C CA . PHE B 2 400 ? -13.820 -12.060 -63.669 1.00 59.66 ? 401 PHE B CA 1 +ATOM 7536 C C . PHE B 2 400 ? -15.312 -11.772 -63.617 1.00 61.82 ? 401 PHE B C 1 +ATOM 7537 O O . PHE B 2 400 ? -15.786 -10.794 -64.200 1.00 65.93 ? 401 PHE B O 1 +ATOM 7538 C CB . PHE B 2 400 ? -13.075 -11.163 -62.670 1.00 59.62 ? 401 PHE B CB 1 +ATOM 7539 C CG . PHE B 2 400 ? -11.718 -11.685 -62.303 1.00 60.35 ? 401 PHE B CG 1 +ATOM 7540 C CD1 . PHE B 2 400 ? -10.611 -11.383 -63.088 1.00 57.33 ? 401 PHE B CD1 1 +ATOM 7541 C CD2 . PHE B 2 400 ? -11.557 -12.511 -61.196 1.00 54.67 ? 401 PHE B CD2 1 +ATOM 7542 C CE1 . PHE B 2 400 ? -9.366 -11.882 -62.766 1.00 58.99 ? 401 PHE B CE1 1 +ATOM 7543 C CE2 . PHE B 2 400 ? -10.312 -13.006 -60.864 1.00 56.25 ? 401 PHE B CE2 1 +ATOM 7544 C CZ . PHE B 2 400 ? -9.214 -12.690 -61.655 1.00 56.12 ? 401 PHE B CZ 1 +ATOM 7545 N N . TYR B 2 401 ? -16.037 -12.620 -62.895 1.00 59.87 ? 402 TYR B N 1 +ATOM 7546 C CA . TYR B 2 401 ? -17.468 -12.473 -62.679 1.00 67.96 ? 402 TYR B CA 1 +ATOM 7547 C C . TYR B 2 401 ? -17.744 -12.547 -61.190 1.00 69.96 ? 402 TYR B C 1 +ATOM 7548 O O . TYR B 2 401 ? -17.298 -13.483 -60.514 1.00 65.38 ? 402 TYR B O 1 +ATOM 7549 C CB . TYR B 2 401 ? -18.260 -13.552 -63.429 1.00 63.51 ? 402 TYR B CB 1 +ATOM 7550 C CG . TYR B 2 401 ? -17.960 -13.542 -64.903 1.00 63.99 ? 402 TYR B CG 1 +ATOM 7551 C CD1 . TYR B 2 401 ? -18.586 -12.632 -65.752 1.00 85.83 ? 402 TYR B CD1 1 +ATOM 7552 C CD2 . TYR B 2 401 ? -17.024 -14.415 -65.446 1.00 66.12 ? 402 TYR B CD2 1 +ATOM 7553 C CE1 . TYR B 2 401 ? -18.303 -12.604 -67.111 1.00 66.29 ? 402 TYR B CE1 1 +ATOM 7554 C CE2 . TYR B 2 401 ? -16.732 -14.400 -66.796 1.00 70.19 ? 402 TYR B CE2 1 +ATOM 7555 C CZ . TYR B 2 401 ? -17.374 -13.492 -67.624 1.00 79.61 ? 402 TYR B CZ 1 +ATOM 7556 O OH . TYR B 2 401 ? -17.079 -13.479 -68.964 1.00 73.87 ? 402 TYR B OH 1 +ATOM 7557 N N . GLY B 2 402 ? -18.488 -11.564 -60.689 1.00 62.56 ? 403 GLY B N 1 +ATOM 7558 C CA . GLY B 2 402 ? -18.706 -11.428 -59.266 1.00 54.01 ? 403 GLY B CA 1 +ATOM 7559 C C . GLY B 2 402 ? -17.481 -10.843 -58.603 1.00 61.89 ? 403 GLY B C 1 +ATOM 7560 O O . GLY B 2 402 ? -16.440 -10.617 -59.221 1.00 56.96 ? 403 GLY B O 1 +ATOM 7561 N N . GLY B 2 403 ? -17.613 -10.585 -57.303 1.00 61.55 ? 404 GLY B N 1 +ATOM 7562 C CA . GLY B 2 403 ? -16.490 -10.100 -56.530 1.00 52.59 ? 404 GLY B CA 1 +ATOM 7563 C C . GLY B 2 403 ? -16.078 -8.712 -56.984 1.00 63.04 ? 404 GLY B C 1 +ATOM 7564 O O . GLY B 2 403 ? -16.764 -8.035 -57.746 1.00 65.12 ? 404 GLY B O 1 +ATOM 7565 N N . GLU B 2 404 ? -14.908 -8.300 -56.508 1.00 51.52 ? 405 GLU B N 1 +ATOM 7566 C CA . GLU B 2 404 ? -14.504 -6.924 -56.748 1.00 64.74 ? 405 GLU B CA 1 +ATOM 7567 C C . GLU B 2 404 ? -14.025 -6.672 -58.176 1.00 59.20 ? 405 GLU B C 1 +ATOM 7568 O O . GLU B 2 404 ? -14.051 -5.530 -58.626 1.00 65.82 ? 405 GLU B O 1 +ATOM 7569 C CB . GLU B 2 404 ? -13.439 -6.511 -55.740 1.00 66.03 ? 405 GLU B CB 1 +ATOM 7570 C CG . GLU B 2 404 ? -12.024 -6.805 -56.141 1.00 74.58 ? 405 GLU B CG 1 +ATOM 7571 C CD . GLU B 2 404 ? -11.038 -6.324 -55.082 1.00 110.38 ? 405 GLU B CD 1 +ATOM 7572 O OE1 . GLU B 2 404 ? -11.441 -6.264 -53.889 1.00 83.20 ? 405 GLU B OE1 1 +ATOM 7573 O OE2 . GLU B 2 404 ? -9.880 -5.989 -55.443 1.00 110.15 ? 405 GLU B OE2 1 +ATOM 7574 N N . LEU B 2 405 ? -13.594 -7.695 -58.904 1.00 59.35 ? 406 LEU B N 1 +ATOM 7575 C CA . LEU B 2 405 ? -13.149 -7.516 -60.276 1.00 55.45 ? 406 LEU B CA 1 +ATOM 7576 C C . LEU B 2 405 ? -14.256 -7.814 -61.279 1.00 59.21 ? 406 LEU B C 1 +ATOM 7577 O O . LEU B 2 405 ? -13.971 -8.002 -62.466 1.00 52.41 ? 406 LEU B O 1 +ATOM 7578 C CB . LEU B 2 405 ? -11.929 -8.391 -60.567 1.00 56.93 ? 406 LEU B CB 1 +ATOM 7579 C CG . LEU B 2 405 ? -10.640 -8.090 -59.800 1.00 68.46 ? 406 LEU B CG 1 +ATOM 7580 C CD1 . LEU B 2 405 ? -9.451 -8.861 -60.383 1.00 53.27 ? 406 LEU B CD1 1 +ATOM 7581 C CD2 . LEU B 2 405 ? -10.360 -6.606 -59.746 1.00 59.94 ? 406 LEU B CD2 1 +ATOM 7582 N N . ASN B 2 406 ? -15.509 -7.841 -60.825 1.00 56.71 ? 407 ASN B N 1 +ATOM 7583 C CA . ASN B 2 406 ? -16.632 -8.172 -61.688 1.00 59.88 ? 407 ASN B CA 1 +ATOM 7584 C C . ASN B 2 406 ? -16.632 -7.314 -62.946 1.00 69.20 ? 407 ASN B C 1 +ATOM 7585 O O . ASN B 2 406 ? -16.464 -6.090 -62.884 1.00 59.58 ? 407 ASN B O 1 +ATOM 7586 C CB . ASN B 2 406 ? -17.942 -7.985 -60.927 1.00 61.15 ? 407 ASN B CB 1 +ATOM 7587 C CG . ASN B 2 406 ? -19.150 -8.232 -61.798 1.00 67.14 ? 407 ASN B CG 1 +ATOM 7588 O OD1 . ASN B 2 406 ? -19.504 -9.374 -62.087 1.00 66.76 ? 407 ASN B OD1 1 +ATOM 7589 N ND2 . ASN B 2 406 ? -19.787 -7.161 -62.226 1.00 74.66 ? 407 ASN B ND2 1 +ATOM 7590 N N . GLY B 2 407 ? -16.784 -7.972 -64.090 1.00 64.51 ? 408 GLY B N 1 +ATOM 7591 C CA . GLY B 2 407 ? -16.883 -7.298 -65.361 1.00 62.91 ? 408 GLY B CA 1 +ATOM 7592 C C . GLY B 2 407 ? -15.573 -6.948 -66.029 1.00 70.55 ? 408 GLY B C 1 +ATOM 7593 O O . GLY B 2 407 ? -15.598 -6.426 -67.146 1.00 72.06 ? 408 GLY B O 1 +ATOM 7594 N N . GLN B 2 408 ? -14.433 -7.210 -65.401 1.00 63.35 ? 409 GLN B N 1 +ATOM 7595 C CA . GLN B 2 408 ? -13.153 -6.862 -65.997 1.00 53.60 ? 409 GLN B CA 1 +ATOM 7596 C C . GLN B 2 408 ? -12.557 -8.058 -66.730 1.00 70.17 ? 409 GLN B C 1 +ATOM 7597 O O . GLN B 2 408 ? -12.841 -9.217 -66.412 1.00 63.24 ? 409 GLN B O 1 +ATOM 7598 C CB . GLN B 2 408 ? -12.185 -6.342 -64.939 1.00 56.04 ? 409 GLN B CB 1 +ATOM 7599 C CG . GLN B 2 408 ? -12.766 -5.164 -64.185 1.00 64.89 ? 409 GLN B CG 1 +ATOM 7600 C CD . GLN B 2 408 ? -11.825 -4.580 -63.159 1.00 73.01 ? 409 GLN B CD 1 +ATOM 7601 O OE1 . GLN B 2 408 ? -10.614 -4.524 -63.368 1.00 71.93 ? 409 GLN B OE1 1 +ATOM 7602 N NE2 . GLN B 2 408 ? -12.384 -4.135 -62.029 1.00 75.12 ? 409 GLN B NE2 1 +ATOM 7603 N N . THR B 2 409 ? -11.744 -7.761 -67.742 1.00 60.39 ? 410 THR B N 1 +ATOM 7604 C CA . THR B 2 409 ? -11.049 -8.774 -68.516 1.00 57.58 ? 410 THR B CA 1 +ATOM 7605 C C . THR B 2 409 ? -9.601 -8.338 -68.657 1.00 61.75 ? 410 THR B C 1 +ATOM 7606 O O . THR B 2 409 ? -9.325 -7.153 -68.858 1.00 63.46 ? 410 THR B O 1 +ATOM 7607 C CB . THR B 2 409 ? -11.711 -8.972 -69.894 1.00 65.47 ? 410 THR B CB 1 +ATOM 7608 O OG1 . THR B 2 409 ? -13.041 -9.483 -69.717 1.00 70.87 ? 410 THR B OG1 1 +ATOM 7609 C CG2 . THR B 2 409 ? -10.923 -9.951 -70.747 1.00 58.77 ? 410 THR B CG2 1 +ATOM 7610 N N . PHE B 2 410 ? -8.672 -9.277 -68.506 1.00 58.82 ? 411 PHE B N 1 +ATOM 7611 C CA . PHE B 2 410 ? -7.257 -8.966 -68.641 1.00 61.26 ? 411 PHE B CA 1 +ATOM 7612 C C . PHE B 2 410 ? -6.679 -9.803 -69.764 1.00 56.23 ? 411 PHE B C 1 +ATOM 7613 O O . PHE B 2 410 ? -7.064 -10.963 -69.944 1.00 63.72 ? 411 PHE B O 1 +ATOM 7614 C CB . PHE B 2 410 ? -6.500 -9.202 -67.334 1.00 58.71 ? 411 PHE B CB 1 +ATOM 7615 C CG . PHE B 2 410 ? -7.025 -8.385 -66.180 1.00 70.15 ? 411 PHE B CG 1 +ATOM 7616 C CD1 . PHE B 2 410 ? -6.580 -7.091 -65.969 1.00 74.07 ? 411 PHE B CD1 1 +ATOM 7617 C CD2 . PHE B 2 410 ? -7.990 -8.901 -65.329 1.00 64.66 ? 411 PHE B CD2 1 +ATOM 7618 C CE1 . PHE B 2 410 ? -7.071 -6.337 -64.916 1.00 69.73 ? 411 PHE B CE1 1 +ATOM 7619 C CE2 . PHE B 2 410 ? -8.485 -8.146 -64.284 1.00 66.43 ? 411 PHE B CE2 1 +ATOM 7620 C CZ . PHE B 2 410 ? -8.024 -6.868 -64.075 1.00 56.96 ? 411 PHE B CZ 1 +ATOM 7621 N N . THR B 2 411 ? -5.789 -9.189 -70.553 1.00 61.89 ? 412 THR B N 1 +ATOM 7622 C CA . THR B 2 411 ? -5.228 -9.838 -71.735 1.00 60.16 ? 412 THR B CA 1 +ATOM 7623 C C . THR B 2 411 ? -3.707 -9.830 -71.778 1.00 54.38 ? 412 THR B C 1 +ATOM 7624 O O . THR B 2 411 ? -3.137 -10.527 -72.623 1.00 63.64 ? 412 THR B O 1 +ATOM 7625 C CB . THR B 2 411 ? -5.748 -9.174 -73.029 1.00 62.04 ? 412 THR B CB 1 +ATOM 7626 O OG1 . THR B 2 411 ? -5.229 -7.846 -73.115 1.00 63.03 ? 412 THR B OG1 1 +ATOM 7627 C CG2 . THR B 2 411 ? -7.259 -9.092 -73.029 1.00 55.63 ? 412 THR B CG2 1 +ATOM 7628 N N . ASP B 2 412 ? -3.031 -9.058 -70.934 1.00 53.35 ? 413 ASP B N 1 +ATOM 7629 C CA . ASP B 2 412 ? -1.574 -9.066 -71.012 1.00 70.00 ? 413 ASP B CA 1 +ATOM 7630 C C . ASP B 2 412 ? -1.026 -10.335 -70.354 1.00 69.98 ? 413 ASP B C 1 +ATOM 7631 O O . ASP B 2 412 ? -1.401 -10.655 -69.216 1.00 60.06 ? 413 ASP B O 1 +ATOM 7632 C CB . ASP B 2 412 ? -0.974 -7.807 -70.374 1.00 52.55 ? 413 ASP B CB 1 +ATOM 7633 C CG . ASP B 2 412 ? -1.375 -7.629 -68.938 1.00 77.64 ? 413 ASP B CG 1 +ATOM 7634 O OD1 . ASP B 2 412 ? -2.579 -7.391 -68.670 1.00 85.70 ? 413 ASP B OD1 1 +ATOM 7635 O OD2 . ASP B 2 412 ? -0.474 -7.726 -68.075 1.00 73.72 ? 413 ASP B OD2 1 +ATOM 7636 N N . PRO B 2 413 ? -0.152 -11.070 -71.035 1.00 65.99 ? 414 PRO B N 1 +ATOM 7637 C CA . PRO B 2 413 ? 0.276 -12.397 -70.544 1.00 56.31 ? 414 PRO B CA 1 +ATOM 7638 C C . PRO B 2 413 ? 0.730 -12.376 -69.091 1.00 66.84 ? 414 PRO B C 1 +ATOM 7639 O O . PRO B 2 413 ? 0.278 -13.226 -68.310 1.00 58.12 ? 414 PRO B O 1 +ATOM 7640 C CB . PRO B 2 413 ? 1.411 -12.779 -71.510 1.00 61.54 ? 414 PRO B CB 1 +ATOM 7641 C CG . PRO B 2 413 ? 0.939 -12.110 -72.854 1.00 59.92 ? 414 PRO B CG 1 +ATOM 7642 C CD . PRO B 2 413 ? 0.266 -10.809 -72.431 1.00 56.12 ? 414 PRO B CD 1 +ATOM 7643 N N . PRO B 2 414 ? 1.582 -11.426 -68.666 1.00 63.05 ? 415 PRO B N 1 +ATOM 7644 C CA . PRO B 2 414 ? 1.994 -11.426 -67.243 1.00 63.34 ? 415 PRO B CA 1 +ATOM 7645 C C . PRO B 2 414 ? 0.839 -11.401 -66.253 1.00 57.93 ? 415 PRO B C 1 +ATOM 7646 O O . PRO B 2 414 ? 0.865 -12.142 -65.269 1.00 68.37 ? 415 PRO B O 1 +ATOM 7647 C CB . PRO B 2 414 ? 2.852 -10.154 -67.131 1.00 64.94 ? 415 PRO B CB 1 +ATOM 7648 C CG . PRO B 2 414 ? 3.375 -9.952 -68.536 1.00 70.87 ? 415 PRO B CG 1 +ATOM 7649 C CD . PRO B 2 414 ? 2.258 -10.350 -69.422 1.00 61.42 ? 415 PRO B CD 1 +ATOM 7650 N N . THR B 2 415 ? -0.175 -10.566 -66.475 1.00 65.55 ? 416 THR B N 1 +ATOM 7651 C CA . THR B 2 415 ? -1.280 -10.463 -65.522 1.00 57.95 ? 416 THR B CA 1 +ATOM 7652 C C . THR B 2 415 ? -2.157 -11.708 -65.550 1.00 56.64 ? 416 THR B C 1 +ATOM 7653 O O . THR B 2 415 ? -2.652 -12.149 -64.510 1.00 59.93 ? 416 THR B O 1 +ATOM 7654 C CB . THR B 2 415 ? -2.108 -9.216 -65.841 1.00 55.84 ? 416 THR B CB 1 +ATOM 7655 O OG1 . THR B 2 415 ? -1.250 -8.083 -65.805 1.00 59.80 ? 416 THR B OG1 1 +ATOM 7656 C CG2 . THR B 2 415 ? -3.258 -9.024 -64.882 1.00 51.70 ? 416 THR B CG2 1 +ATOM 7657 N N . VAL B 2 416 ? -2.373 -12.274 -66.738 1.00 55.63 ? 417 VAL B N 1 +ATOM 7658 C CA . VAL B 2 416 ? -3.176 -13.485 -66.863 1.00 53.33 ? 417 VAL B CA 1 +ATOM 7659 C C . VAL B 2 416 ? -2.490 -14.650 -66.159 1.00 56.58 ? 417 VAL B C 1 +ATOM 7660 O O . VAL B 2 416 ? -3.140 -15.465 -65.488 1.00 54.90 ? 417 VAL B O 1 +ATOM 7661 C CB . VAL B 2 416 ? -3.424 -13.802 -68.353 1.00 56.04 ? 417 VAL B CB 1 +ATOM 7662 C CG1 . VAL B 2 416 ? -4.336 -15.004 -68.492 1.00 50.22 ? 417 VAL B CG1 1 +ATOM 7663 C CG2 . VAL B 2 416 ? -3.997 -12.577 -69.092 1.00 58.50 ? 417 VAL B CG2 1 +ATOM 7664 N N . LYS B 2 417 ? -1.174 -14.779 -66.345 1.00 54.11 ? 418 LYS B N 1 +ATOM 7665 C CA . LYS B 2 417 ? -0.435 -15.831 -65.659 1.00 57.70 ? 418 LYS B CA 1 +ATOM 7666 C C . LYS B 2 417 ? -0.491 -15.641 -64.142 1.00 63.90 ? 418 LYS B C 1 +ATOM 7667 O O . LYS B 2 417 ? -0.609 -16.615 -63.388 1.00 54.69 ? 418 LYS B O 1 +ATOM 7668 C CB . LYS B 2 417 ? 1.007 -15.852 -66.160 1.00 57.82 ? 418 LYS B CB 1 +ATOM 7669 C CG . LYS B 2 417 ? 1.138 -16.210 -67.626 1.00 55.79 ? 418 LYS B CG 1 +ATOM 7670 C CD . LYS B 2 417 ? 2.560 -16.605 -67.967 1.00 56.94 ? 418 LYS B CD 1 +ATOM 7671 C CE . LYS B 2 417 ? 3.339 -15.498 -68.642 1.00 56.37 ? 418 LYS B CE 1 +ATOM 7672 N NZ . LYS B 2 417 ? 4.501 -16.103 -69.379 1.00 53.85 ? 418 LYS B NZ 1 +ATOM 7673 N N . SER B 2 418 ? -0.442 -14.389 -63.681 1.00 52.17 ? 419 SER B N 1 +ATOM 7674 C CA . SER B 2 418 ? -0.570 -14.118 -62.254 1.00 58.20 ? 419 SER B CA 1 +ATOM 7675 C C . SER B 2 418 ? -1.849 -14.712 -61.694 1.00 54.35 ? 419 SER B C 1 +ATOM 7676 O O . SER B 2 418 ? -1.829 -15.397 -60.666 1.00 58.06 ? 419 SER B O 1 +ATOM 7677 C CB . SER B 2 418 ? -0.535 -12.614 -61.993 1.00 54.29 ? 419 SER B CB 1 +ATOM 7678 O OG . SER B 2 418 ? 0.766 -12.218 -61.630 1.00 90.60 ? 419 SER B OG 1 +ATOM 7679 N N . TYR B 2 419 ? -2.976 -14.465 -62.357 1.00 52.71 ? 420 TYR B N 1 +ATOM 7680 C CA . TYR B 2 419 ? -4.230 -14.975 -61.830 1.00 51.99 ? 420 TYR B CA 1 +ATOM 7681 C C . TYR B 2 419 ? -4.343 -16.476 -61.996 1.00 48.74 ? 420 TYR B C 1 +ATOM 7682 O O . TYR B 2 419 ? -5.017 -17.126 -61.192 1.00 57.13 ? 420 TYR B O 1 +ATOM 7683 C CB . TYR B 2 419 ? -5.405 -14.271 -62.490 1.00 49.41 ? 420 TYR B CB 1 +ATOM 7684 C CG . TYR B 2 419 ? -5.573 -12.881 -61.956 1.00 58.15 ? 420 TYR B CG 1 +ATOM 7685 C CD1 . TYR B 2 419 ? -5.792 -12.667 -60.600 1.00 60.69 ? 420 TYR B CD1 1 +ATOM 7686 C CD2 . TYR B 2 419 ? -5.505 -11.773 -62.801 1.00 69.16 ? 420 TYR B CD2 1 +ATOM 7687 C CE1 . TYR B 2 419 ? -5.938 -11.396 -60.096 1.00 61.73 ? 420 TYR B CE1 1 +ATOM 7688 C CE2 . TYR B 2 419 ? -5.657 -10.500 -62.313 1.00 60.14 ? 420 TYR B CE2 1 +ATOM 7689 C CZ . TYR B 2 419 ? -5.872 -10.315 -60.961 1.00 71.25 ? 420 TYR B CZ 1 +ATOM 7690 O OH . TYR B 2 419 ? -6.027 -9.041 -60.480 1.00 79.31 ? 420 TYR B OH 1 +ATOM 7691 N N . ALA B 2 420 ? -3.701 -17.045 -63.022 1.00 49.97 ? 421 ALA B N 1 +ATOM 7692 C CA . ALA B 2 420 ? -3.709 -18.495 -63.184 1.00 46.89 ? 421 ALA B CA 1 +ATOM 7693 C C . ALA B 2 420 ? -2.962 -19.171 -62.040 1.00 51.65 ? 421 ALA B C 1 +ATOM 7694 O O . ALA B 2 420 ? -3.403 -20.213 -61.540 1.00 52.18 ? 421 ALA B O 1 +ATOM 7695 C CB . ALA B 2 420 ? -3.091 -18.895 -64.527 1.00 43.79 ? 421 ALA B CB 1 +ATOM 7696 N N . ARG B 2 421 ? -1.834 -18.584 -61.610 1.00 52.09 ? 422 ARG B N 1 +ATOM 7697 C CA . ARG B 2 421 ? -1.115 -19.100 -60.447 1.00 59.15 ? 422 ARG B CA 1 +ATOM 7698 C C . ARG B 2 421 ? -2.003 -19.127 -59.205 1.00 56.06 ? 422 ARG B C 1 +ATOM 7699 O O . ARG B 2 421 ? -1.911 -20.048 -58.387 1.00 57.51 ? 422 ARG B O 1 +ATOM 7700 C CB . ARG B 2 421 ? 0.124 -18.251 -60.169 1.00 55.02 ? 422 ARG B CB 1 +ATOM 7701 C CG . ARG B 2 421 ? 1.275 -18.465 -61.111 1.00 58.12 ? 422 ARG B CG 1 +ATOM 7702 C CD . ARG B 2 421 ? 2.487 -17.702 -60.652 1.00 55.22 ? 422 ARG B CD 1 +ATOM 7703 N NE . ARG B 2 421 ? 3.296 -17.327 -61.796 1.00 78.18 ? 422 ARG B NE 1 +ATOM 7704 C CZ . ARG B 2 421 ? 3.415 -16.090 -62.262 1.00 79.44 ? 422 ARG B CZ 1 +ATOM 7705 N NH1 . ARG B 2 421 ? 2.894 -15.052 -61.621 1.00 69.69 ? 422 ARG B NH1 1 +ATOM 7706 N NH2 . ARG B 2 421 ? 4.072 -15.889 -63.399 1.00 67.13 ? 422 ARG B NH2 1 +ATOM 7707 N N . LYS B 2 422 ? -2.843 -18.102 -59.026 1.00 52.74 ? 423 LYS B N 1 +ATOM 7708 C CA . LYS B 2 422 ? -3.708 -18.068 -57.852 1.00 52.42 ? 423 LYS B CA 1 +ATOM 7709 C C . LYS B 2 422 ? -4.841 -19.057 -57.992 1.00 48.12 ? 423 LYS B C 1 +ATOM 7710 O O . LYS B 2 422 ? -5.340 -19.581 -56.987 1.00 51.59 ? 423 LYS B O 1 +ATOM 7711 C CB . LYS B 2 422 ? -4.272 -16.659 -57.633 1.00 48.91 ? 423 LYS B CB 1 +ATOM 7712 C CG . LYS B 2 422 ? -3.212 -15.635 -57.344 1.00 48.99 ? 423 LYS B CG 1 +ATOM 7713 C CD . LYS B 2 422 ? -2.140 -16.241 -56.457 1.00 56.45 ? 423 LYS B CD 1 +ATOM 7714 C CE . LYS B 2 422 ? -1.155 -15.187 -55.982 1.00 62.03 ? 423 LYS B CE 1 +ATOM 7715 N NZ . LYS B 2 422 ? 0.098 -15.842 -55.506 1.00 65.96 ? 423 LYS B NZ 1 +ATOM 7716 N N . ALA B 2 423 ? -5.250 -19.325 -59.232 1.00 46.92 ? 424 ALA B N 1 +ATOM 7717 C CA . ALA B 2 423 ? -6.405 -20.166 -59.482 1.00 48.13 ? 424 ALA B CA 1 +ATOM 7718 C C . ALA B 2 423 ? -6.139 -21.622 -59.139 1.00 47.08 ? 424 ALA B C 1 +ATOM 7719 O O . ALA B 2 423 ? -7.096 -22.387 -58.980 1.00 46.38 ? 424 ALA B O 1 +ATOM 7720 C CB . ALA B 2 423 ? -6.839 -20.020 -60.952 1.00 41.02 ? 424 ALA B CB 1 +ATOM 7721 N N . ILE B 2 424 ? -4.870 -22.040 -59.044 1.00 49.23 ? 425 ILE B N 1 +ATOM 7722 C CA . ILE B 2 424 ? -4.629 -23.413 -58.600 1.00 52.75 ? 425 ILE B CA 1 +ATOM 7723 C C . ILE B 2 424 ? -5.042 -23.585 -57.140 1.00 46.71 ? 425 ILE B C 1 +ATOM 7724 O O . ILE B 2 424 ? -5.253 -24.717 -56.700 1.00 51.22 ? 425 ILE B O 1 +ATOM 7725 C CB . ILE B 2 424 ? -3.165 -23.880 -58.789 1.00 51.72 ? 425 ILE B CB 1 +ATOM 7726 C CG1 . ILE B 2 424 ? -2.220 -23.159 -57.824 1.00 58.64 ? 425 ILE B CG1 1 +ATOM 7727 C CG2 . ILE B 2 424 ? -2.696 -23.691 -60.229 1.00 45.37 ? 425 ILE B CG2 1 +ATOM 7728 C CD1 . ILE B 2 424 ? -0.784 -23.644 -57.940 1.00 61.48 ? 425 ILE B CD1 1 +ATOM 7729 N N . PHE B 2 425 ? -5.203 -22.489 -56.390 1.00 48.19 ? 426 PHE B N 1 +ATOM 7730 C CA . PHE B 2 425 ? -5.643 -22.533 -54.999 1.00 49.87 ? 426 PHE B CA 1 +ATOM 7731 C C . PHE B 2 425 ? -7.152 -22.465 -54.848 1.00 47.99 ? 426 PHE B C 1 +ATOM 7732 O O . PHE B 2 425 ? -7.636 -22.401 -53.711 1.00 52.36 ? 426 PHE B O 1 +ATOM 7733 C CB . PHE B 2 425 ? -5.032 -21.383 -54.182 1.00 47.50 ? 426 PHE B CB 1 +ATOM 7734 C CG . PHE B 2 425 ? -3.546 -21.286 -54.277 1.00 48.84 ? 426 PHE B CG 1 +ATOM 7735 C CD1 . PHE B 2 425 ? -2.755 -22.431 -54.243 1.00 52.17 ? 426 PHE B CD1 1 +ATOM 7736 C CD2 . PHE B 2 425 ? -2.931 -20.045 -54.372 1.00 47.42 ? 426 PHE B CD2 1 +ATOM 7737 C CE1 . PHE B 2 425 ? -1.357 -22.338 -54.340 1.00 50.44 ? 426 PHE B CE1 1 +ATOM 7738 C CE2 . PHE B 2 425 ? -1.539 -19.941 -54.452 1.00 51.73 ? 426 PHE B CE2 1 +ATOM 7739 C CZ . PHE B 2 425 ? -0.753 -21.088 -54.447 1.00 48.64 ? 426 PHE B CZ 1 +ATOM 7740 N N . GLY B 2 426 ? -7.903 -22.483 -55.949 1.00 46.43 ? 427 GLY B N 1 +ATOM 7741 C CA . GLY B 2 426 ? -9.342 -22.275 -55.891 1.00 48.46 ? 427 GLY B CA 1 +ATOM 7742 C C . GLY B 2 426 ? -9.748 -20.827 -56.125 1.00 57.81 ? 427 GLY B C 1 +ATOM 7743 O O . GLY B 2 426 ? -9.114 -20.114 -56.917 1.00 50.24 ? 427 GLY B O 1 +ATOM 7744 N N . GLU B 2 427 ? -10.805 -20.381 -55.444 1.00 49.96 ? 428 GLU B N 1 +ATOM 7745 C CA . GLU B 2 427 ? -11.248 -18.997 -55.572 1.00 49.63 ? 428 GLU B CA 1 +ATOM 7746 C C . GLU B 2 427 ? -10.173 -18.036 -55.083 1.00 58.19 ? 428 GLU B C 1 +ATOM 7747 O O . GLU B 2 427 ? -9.392 -18.338 -54.172 1.00 49.40 ? 428 GLU B O 1 +ATOM 7748 C CB . GLU B 2 427 ? -12.550 -18.763 -54.793 1.00 45.71 ? 428 GLU B CB 1 +ATOM 7749 C CG . GLU B 2 427 ? -13.782 -19.358 -55.478 1.00 52.03 ? 428 GLU B CG 1 +ATOM 7750 C CD . GLU B 2 427 ? -13.987 -18.844 -56.924 1.00 57.61 ? 428 GLU B CD 1 +ATOM 7751 O OE1 . GLU B 2 427 ? -13.697 -17.655 -57.221 1.00 56.47 ? 428 GLU B OE1 1 +ATOM 7752 O OE2 . GLU B 2 427 ? -14.446 -19.633 -57.768 1.00 55.71 ? 428 GLU B OE2 1 +ATOM 7753 N N . ILE B 2 428 ? -10.154 -16.855 -55.694 1.00 53.66 ? 429 ILE B N 1 +ATOM 7754 C CA . ILE B 2 428 ? -9.069 -15.892 -55.548 1.00 51.69 ? 429 ILE B CA 1 +ATOM 7755 C C . ILE B 2 428 ? -9.523 -14.753 -54.645 1.00 53.39 ? 429 ILE B C 1 +ATOM 7756 O O . ILE B 2 428 ? -10.607 -14.189 -54.840 1.00 57.08 ? 429 ILE B O 1 +ATOM 7757 C CB . ILE B 2 428 ? -8.616 -15.374 -56.923 1.00 54.16 ? 429 ILE B CB 1 +ATOM 7758 C CG1 . ILE B 2 428 ? -8.107 -16.561 -57.755 1.00 47.02 ? 429 ILE B CG1 1 +ATOM 7759 C CG2 . ILE B 2 428 ? -7.572 -14.259 -56.746 1.00 46.52 ? 429 ILE B CG2 1 +ATOM 7760 C CD1 . ILE B 2 428 ? -7.826 -16.258 -59.245 1.00 57.21 ? 429 ILE B CD1 1 +ATOM 7761 N N . PHE B 2 429 ? -8.692 -14.404 -53.670 1.00 51.66 ? 430 PHE B N 1 +ATOM 7762 C CA . PHE B 2 429 ? -9.051 -13.402 -52.676 1.00 49.25 ? 430 PHE B CA 1 +ATOM 7763 C C . PHE B 2 429 ? -7.991 -12.322 -52.616 1.00 48.36 ? 430 PHE B C 1 +ATOM 7764 O O . PHE B 2 429 ? -6.840 -12.520 -52.997 1.00 49.41 ? 430 PHE B O 1 +ATOM 7765 C CB . PHE B 2 429 ? -9.272 -14.045 -51.284 1.00 48.13 ? 430 PHE B CB 1 +ATOM 7766 C CG . PHE B 2 429 ? -10.577 -14.747 -51.194 1.00 48.57 ? 430 PHE B CG 1 +ATOM 7767 C CD1 . PHE B 2 429 ? -10.744 -15.972 -51.798 1.00 42.93 ? 430 PHE B CD1 1 +ATOM 7768 C CD2 . PHE B 2 429 ? -11.678 -14.127 -50.617 1.00 53.46 ? 430 PHE B CD2 1 +ATOM 7769 C CE1 . PHE B 2 429 ? -11.969 -16.591 -51.798 1.00 54.91 ? 430 PHE B CE1 1 +ATOM 7770 C CE2 . PHE B 2 429 ? -12.911 -14.752 -50.602 1.00 41.49 ? 430 PHE B CE2 1 +ATOM 7771 C CZ . PHE B 2 429 ? -13.055 -15.971 -51.211 1.00 47.81 ? 430 PHE B CZ 1 +ATOM 7772 N N . GLU B 2 430 ? -8.409 -11.157 -52.154 1.00 51.93 ? 431 GLU B N 1 +ATOM 7773 C CA . GLU B 2 430 ? -7.479 -10.090 -51.835 1.00 49.10 ? 431 GLU B CA 1 +ATOM 7774 C C . GLU B 2 430 ? -7.127 -10.215 -50.358 1.00 49.51 ? 431 GLU B C 1 +ATOM 7775 O O . GLU B 2 430 ? -8.016 -10.393 -49.522 1.00 52.85 ? 431 GLU B O 1 +ATOM 7776 C CB . GLU B 2 430 ? -8.094 -8.728 -52.157 1.00 51.20 ? 431 GLU B CB 1 +ATOM 7777 C CG . GLU B 2 430 ? -7.294 -7.542 -51.636 1.00 67.24 ? 431 GLU B CG 1 +ATOM 7778 C CD . GLU B 2 430 ? -6.032 -7.298 -52.446 1.00 79.45 ? 431 GLU B CD 1 +ATOM 7779 O OE1 . GLU B 2 430 ? -5.996 -7.708 -53.623 1.00 87.15 ? 431 GLU B OE1 1 +ATOM 7780 O OE2 . GLU B 2 430 ? -5.072 -6.700 -51.907 1.00 100.65 ? 431 GLU B OE2 1 +ATOM 7781 N N . PHE B 2 431 ? -5.834 -10.153 -50.046 1.00 52.57 ? 432 PHE B N 1 +ATOM 7782 C CA . PHE B 2 431 ? -5.343 -10.322 -48.686 1.00 55.75 ? 432 PHE B CA 1 +ATOM 7783 C C . PHE B 2 431 ? -4.549 -9.103 -48.245 1.00 63.02 ? 432 PHE B C 1 +ATOM 7784 O O . PHE B 2 431 ? -3.743 -8.560 -49.011 1.00 56.24 ? 432 PHE B O 1 +ATOM 7785 C CB . PHE B 2 431 ? -4.440 -11.554 -48.541 1.00 53.02 ? 432 PHE B CB 1 +ATOM 7786 C CG . PHE B 2 431 ? -5.154 -12.860 -48.684 1.00 55.48 ? 432 PHE B CG 1 +ATOM 7787 C CD1 . PHE B 2 431 ? -5.305 -13.447 -49.938 1.00 48.51 ? 432 PHE B CD1 1 +ATOM 7788 C CD2 . PHE B 2 431 ? -5.647 -13.520 -47.566 1.00 55.07 ? 432 PHE B CD2 1 +ATOM 7789 C CE1 . PHE B 2 431 ? -5.954 -14.672 -50.085 1.00 55.53 ? 432 PHE B CE1 1 +ATOM 7790 C CE2 . PHE B 2 431 ? -6.298 -14.773 -47.699 1.00 53.63 ? 432 PHE B CE2 1 +ATOM 7791 C CZ . PHE B 2 431 ? -6.457 -15.337 -48.962 1.00 51.54 ? 432 PHE B CZ 1 +ATOM 7792 N N . ASP B 2 432 ? -4.772 -8.697 -46.999 1.00 52.07 ? 433 ASP B N 1 +ATOM 7793 C CA . ASP B 2 432 ? -3.883 -7.769 -46.321 1.00 45.82 ? 433 ASP B CA 1 +ATOM 7794 C C . ASP B 2 432 ? -2.741 -8.591 -45.733 1.00 51.61 ? 433 ASP B C 1 +ATOM 7795 O O . ASP B 2 432 ? -2.929 -9.346 -44.771 1.00 54.60 ? 433 ASP B O 1 +ATOM 7796 C CB . ASP B 2 432 ? -4.654 -6.987 -45.255 1.00 43.09 ? 433 ASP B CB 1 +ATOM 7797 C CG . ASP B 2 432 ? -3.754 -6.301 -44.229 1.00 51.33 ? 433 ASP B CG 1 +ATOM 7798 O OD1 . ASP B 2 432 ? -2.523 -6.172 -44.430 1.00 49.90 ? 433 ASP B OD1 1 +ATOM 7799 O OD2 . ASP B 2 432 ? -4.301 -5.879 -43.191 1.00 54.74 ? 433 ASP B OD2 1 +ATOM 7800 N N . THR B 2 433 ? -1.553 -8.444 -46.306 1.00 50.23 ? 434 THR B N 1 +ATOM 7801 C CA . THR B 2 433 ? -0.362 -9.124 -45.823 1.00 55.87 ? 434 THR B CA 1 +ATOM 7802 C C . THR B 2 433 ? 0.528 -8.223 -44.987 1.00 53.74 ? 434 THR B C 1 +ATOM 7803 O O . THR B 2 433 ? 1.541 -8.691 -44.458 1.00 51.31 ? 434 THR B O 1 +ATOM 7804 C CB . THR B 2 433 ? 0.452 -9.661 -46.988 1.00 53.85 ? 434 THR B CB 1 +ATOM 7805 O OG1 . THR B 2 433 ? 0.990 -8.556 -47.725 1.00 67.41 ? 434 THR B OG1 1 +ATOM 7806 C CG2 . THR B 2 433 ? -0.425 -10.490 -47.891 1.00 53.38 ? 434 THR B CG2 1 +ATOM 7807 N N A GLU B 2 434 ? 0.183 -6.948 -44.862 0.50 54.26 ? 435 GLU B N 1 +ATOM 7808 N N B GLU B 2 434 ? 0.176 -6.943 -44.845 0.50 54.24 ? 435 GLU B N 1 +ATOM 7809 C CA A GLU B 2 434 ? 1.057 -6.008 -44.172 0.50 52.90 ? 435 GLU B CA 1 +ATOM 7810 C CA B GLU B 2 434 ? 1.043 -5.976 -44.173 0.50 52.94 ? 435 GLU B CA 1 +ATOM 7811 C C A GLU B 2 434 ? 0.797 -5.961 -42.674 0.50 55.12 ? 435 GLU B C 1 +ATOM 7812 C C B GLU B 2 434 ? 0.793 -5.910 -42.672 0.50 55.17 ? 435 GLU B C 1 +ATOM 7813 O O A GLU B 2 434 ? 1.745 -5.873 -41.886 0.50 54.79 ? 435 GLU B O 1 +ATOM 7814 O O B GLU B 2 434 ? 1.744 -5.777 -41.896 0.50 54.78 ? 435 GLU B O 1 +ATOM 7815 C CB A GLU B 2 434 ? 0.893 -4.605 -44.767 0.50 61.55 ? 435 GLU B CB 1 +ATOM 7816 C CB B GLU B 2 434 ? 0.864 -4.581 -44.798 0.50 61.54 ? 435 GLU B CB 1 +ATOM 7817 C CG A GLU B 2 434 ? 2.204 -3.940 -45.142 0.50 72.98 ? 435 GLU B CG 1 +ATOM 7818 C CG B GLU B 2 434 ? 1.761 -3.497 -44.188 0.50 61.58 ? 435 GLU B CG 1 +ATOM 7819 C CD A GLU B 2 434 ? 2.880 -4.632 -46.299 0.50 69.31 ? 435 GLU B CD 1 +ATOM 7820 C CD B GLU B 2 434 ? 1.544 -2.109 -44.791 0.50 89.79 ? 435 GLU B CD 1 +ATOM 7821 O OE1 A GLU B 2 434 ? 2.191 -4.921 -47.299 0.50 95.21 ? 435 GLU B OE1 1 +ATOM 7822 O OE1 B GLU B 2 434 ? 1.470 -1.985 -46.038 0.50 86.51 ? 435 GLU B OE1 1 +ATOM 7823 O OE2 A GLU B 2 434 ? 4.096 -4.903 -46.206 0.50 84.14 ? 435 GLU B OE2 1 +ATOM 7824 O OE2 B GLU B 2 434 ? 1.447 -1.138 -44.007 0.50 85.62 ? 435 GLU B OE2 1 +ATOM 7825 N N . THR B 2 435 ? -0.471 -6.008 -42.249 1.00 51.54 ? 436 THR B N 1 +ATOM 7826 C CA . THR B 2 435 ? -0.809 -5.801 -40.839 1.00 46.54 ? 436 THR B CA 1 +ATOM 7827 C C . THR B 2 435 ? -0.050 -6.755 -39.920 1.00 58.81 ? 436 THR B C 1 +ATOM 7828 O O . THR B 2 435 ? 0.448 -6.349 -38.863 1.00 56.09 ? 436 THR B O 1 +ATOM 7829 C CB . THR B 2 435 ? -2.317 -5.974 -40.632 1.00 50.44 ? 436 THR B CB 1 +ATOM 7830 O OG1 . THR B 2 435 ? -3.020 -4.968 -41.354 1.00 54.59 ? 436 THR B OG1 1 +ATOM 7831 C CG2 . THR B 2 435 ? -2.702 -5.900 -39.153 1.00 43.66 ? 436 THR B CG2 1 +ATOM 7832 N N . LEU B 2 436 ? 0.051 -8.023 -40.300 1.00 53.98 ? 437 LEU B N 1 +ATOM 7833 C CA . LEU B 2 436 ? 0.713 -9.009 -39.464 1.00 52.64 ? 437 LEU B CA 1 +ATOM 7834 C C . LEU B 2 436 ? 2.097 -9.372 -39.971 1.00 57.06 ? 437 LEU B C 1 +ATOM 7835 O O . LEU B 2 436 ? 2.699 -10.310 -39.450 1.00 55.17 ? 437 LEU B O 1 +ATOM 7836 C CB . LEU B 2 436 ? -0.131 -10.287 -39.369 1.00 58.47 ? 437 LEU B CB 1 +ATOM 7837 C CG . LEU B 2 436 ? -1.571 -10.210 -38.860 1.00 57.41 ? 437 LEU B CG 1 +ATOM 7838 C CD1 . LEU B 2 436 ? -2.143 -11.593 -38.864 1.00 59.53 ? 437 LEU B CD1 1 +ATOM 7839 C CD2 . LEU B 2 436 ? -1.644 -9.641 -37.460 1.00 52.65 ? 437 LEU B CD2 1 +ATOM 7840 N N . ASN B 2 437 ? 2.600 -8.677 -40.988 1.00 49.79 ? 438 ASN B N 1 +ATOM 7841 C CA . ASN B 2 437 ? 3.824 -9.091 -41.677 1.00 61.88 ? 438 ASN B CA 1 +ATOM 7842 C C . ASN B 2 437 ? 3.730 -10.555 -42.119 1.00 61.35 ? 438 ASN B C 1 +ATOM 7843 O O . ASN B 2 437 ? 4.608 -11.381 -41.839 1.00 53.99 ? 438 ASN B O 1 +ATOM 7844 C CB . ASN B 2 437 ? 5.060 -8.855 -40.799 1.00 57.15 ? 438 ASN B CB 1 +ATOM 7845 C CG . ASN B 2 437 ? 6.362 -8.906 -41.596 1.00 66.14 ? 438 ASN B CG 1 +ATOM 7846 O OD1 . ASN B 2 437 ? 6.366 -8.743 -42.824 1.00 81.82 ? 438 ASN B OD1 1 +ATOM 7847 N ND2 . ASN B 2 437 ? 7.470 -9.150 -40.906 1.00 86.75 ? 438 ASN B ND2 1 +ATOM 7848 N N . SER B 2 438 ? 2.636 -10.874 -42.810 1.00 48.14 ? 439 SER B N 1 +ATOM 7849 C CA . SER B 2 438 ? 2.407 -12.233 -43.262 1.00 52.91 ? 439 SER B CA 1 +ATOM 7850 C C . SER B 2 438 ? 3.503 -12.636 -44.231 1.00 49.63 ? 439 SER B C 1 +ATOM 7851 O O . SER B 2 438 ? 4.030 -11.805 -44.964 1.00 49.85 ? 439 SER B O 1 +ATOM 7852 C CB . SER B 2 438 ? 1.036 -12.352 -43.915 1.00 49.65 ? 439 SER B CB 1 +ATOM 7853 O OG . SER B 2 438 ? 0.043 -11.876 -43.026 1.00 46.07 ? 439 SER B OG 1 +ATOM 7854 N N . ASP B 2 439 ? 3.879 -13.917 -44.203 1.00 45.63 ? 440 ASP B N 1 +ATOM 7855 C CA . ASP B 2 439 ? 5.008 -14.363 -45.001 1.00 45.98 ? 440 ASP B CA 1 +ATOM 7856 C C . ASP B 2 439 ? 4.601 -15.134 -46.251 1.00 45.14 ? 440 ASP B C 1 +ATOM 7857 O O . ASP B 2 439 ? 5.478 -15.542 -47.021 1.00 53.78 ? 440 ASP B O 1 +ATOM 7858 C CB . ASP B 2 439 ? 5.983 -15.189 -44.143 1.00 42.91 ? 440 ASP B CB 1 +ATOM 7859 C CG . ASP B 2 439 ? 5.332 -16.389 -43.462 1.00 49.33 ? 440 ASP B CG 1 +ATOM 7860 O OD1 . ASP B 2 439 ? 4.397 -17.002 -44.010 1.00 47.23 ? 440 ASP B OD1 1 +ATOM 7861 O OD2 . ASP B 2 439 ? 5.776 -16.728 -42.343 1.00 51.63 ? 440 ASP B OD2 1 +ATOM 7862 N N . GLY B 2 440 ? 3.304 -15.335 -46.490 1.00 45.85 ? 441 GLY B N 1 +ATOM 7863 C CA . GLY B 2 440 ? 2.874 -15.951 -47.729 1.00 40.48 ? 441 GLY B CA 1 +ATOM 7864 C C . GLY B 2 440 ? 2.882 -17.466 -47.755 1.00 45.48 ? 441 GLY B C 1 +ATOM 7865 O O . GLY B 2 440 ? 2.686 -18.048 -48.828 1.00 43.58 ? 441 GLY B O 1 +ATOM 7866 N N . ILE B 2 441 ? 3.083 -18.131 -46.615 1.00 46.38 ? 442 ILE B N 1 +ATOM 7867 C CA . ILE B 2 441 ? 3.226 -19.589 -46.554 1.00 45.35 ? 442 ILE B CA 1 +ATOM 7868 C C . ILE B 2 441 ? 2.088 -20.168 -45.710 1.00 44.16 ? 442 ILE B C 1 +ATOM 7869 O O . ILE B 2 441 ? 1.826 -19.676 -44.612 1.00 43.59 ? 442 ILE B O 1 +ATOM 7870 C CB . ILE B 2 441 ? 4.593 -19.982 -45.963 1.00 52.03 ? 442 ILE B CB 1 +ATOM 7871 C CG1 . ILE B 2 441 ? 5.728 -19.444 -46.830 1.00 46.97 ? 442 ILE B CG1 1 +ATOM 7872 C CG2 . ILE B 2 441 ? 4.713 -21.466 -45.886 1.00 46.60 ? 442 ILE B CG2 1 +ATOM 7873 C CD1 . ILE B 2 441 ? 7.054 -19.404 -46.105 1.00 50.69 ? 442 ILE B CD1 1 +ATOM 7874 N N . PHE B 2 442 ? 1.446 -21.234 -46.192 1.00 44.19 ? 443 PHE B N 1 +ATOM 7875 C CA . PHE B 2 442 ? 0.223 -21.703 -45.541 1.00 44.09 ? 443 PHE B CA 1 +ATOM 7876 C C . PHE B 2 442 ? 0.473 -22.318 -44.160 1.00 46.46 ? 443 PHE B C 1 +ATOM 7877 O O . PHE B 2 442 ? 1.457 -23.022 -43.928 1.00 43.79 ? 443 PHE B O 1 +ATOM 7878 C CB . PHE B 2 442 ? -0.500 -22.733 -46.401 1.00 39.65 ? 443 PHE B CB 1 +ATOM 7879 C CG . PHE B 2 442 ? -0.966 -22.206 -47.746 1.00 47.71 ? 443 PHE B CG 1 +ATOM 7880 C CD1 . PHE B 2 442 ? -1.923 -21.189 -47.833 1.00 42.48 ? 443 PHE B CD1 1 +ATOM 7881 C CD2 . PHE B 2 442 ? -0.459 -22.761 -48.925 1.00 41.67 ? 443 PHE B CD2 1 +ATOM 7882 C CE1 . PHE B 2 442 ? -2.348 -20.724 -49.086 1.00 46.12 ? 443 PHE B CE1 1 +ATOM 7883 C CE2 . PHE B 2 442 ? -0.892 -22.317 -50.187 1.00 44.28 ? 443 PHE B CE2 1 +ATOM 7884 C CZ . PHE B 2 442 ? -1.833 -21.294 -50.269 1.00 42.92 ? 443 PHE B CZ 1 +ATOM 7885 N N . ARG B 2 443 ? -0.459 -22.061 -43.250 1.00 43.94 ? 444 ARG B N 1 +ATOM 7886 C CA . ARG B 2 443 ? -0.487 -22.641 -41.923 1.00 47.37 ? 444 ARG B CA 1 +ATOM 7887 C C . ARG B 2 443 ? -1.748 -23.480 -41.773 1.00 45.76 ? 444 ARG B C 1 +ATOM 7888 O O . ARG B 2 443 ? -2.699 -23.337 -42.538 1.00 50.54 ? 444 ARG B O 1 +ATOM 7889 C CB . ARG B 2 443 ? -0.417 -21.530 -40.863 1.00 48.75 ? 444 ARG B CB 1 +ATOM 7890 C CG . ARG B 2 443 ? 0.996 -20.998 -40.729 1.00 50.70 ? 444 ARG B CG 1 +ATOM 7891 C CD . ARG B 2 443 ? 1.045 -19.582 -40.305 1.00 50.29 ? 444 ARG B CD 1 +ATOM 7892 N NE . ARG B 2 443 ? 2.394 -19.133 -39.982 1.00 46.28 ? 444 ARG B NE 1 +ATOM 7893 C CZ . ARG B 2 443 ? 3.276 -18.671 -40.859 1.00 49.53 ? 444 ARG B CZ 1 +ATOM 7894 N NH1 . ARG B 2 443 ? 3.052 -18.725 -42.166 1.00 41.94 ? 444 ARG B NH1 1 +ATOM 7895 N NH2 . ARG B 2 443 ? 4.410 -18.135 -40.415 1.00 47.54 ? 444 ARG B NH2 1 +ATOM 7896 N N . THR B 2 444 ? -1.759 -24.372 -40.788 1.00 45.87 ? 445 THR B N 1 +ATOM 7897 C CA . THR B 2 444 ? -2.957 -25.163 -40.569 1.00 43.51 ? 445 THR B CA 1 +ATOM 7898 C C . THR B 2 444 ? -3.907 -24.419 -39.622 1.00 45.08 ? 445 THR B C 1 +ATOM 7899 O O . THR B 2 444 ? -3.536 -23.444 -38.975 1.00 43.87 ? 445 THR B O 1 +ATOM 7900 C CB . THR B 2 444 ? -2.600 -26.562 -40.046 1.00 47.38 ? 445 THR B CB 1 +ATOM 7901 O OG1 . THR B 2 444 ? -3.768 -27.375 -40.077 1.00 49.63 ? 445 THR B OG1 1 +ATOM 7902 C CG2 . THR B 2 444 ? -2.095 -26.525 -38.622 1.00 41.67 ? 445 THR B CG2 1 +ATOM 7903 N N . SER B 2 445 ? -5.161 -24.885 -39.564 1.00 43.56 ? 446 SER B N 1 +ATOM 7904 C CA . SER B 2 445 ? -6.199 -24.295 -38.710 1.00 43.18 ? 446 SER B CA 1 +ATOM 7905 C C . SER B 2 445 ? -6.272 -24.969 -37.338 1.00 50.79 ? 446 SER B C 1 +ATOM 7906 O O . SER B 2 445 ? -5.540 -25.936 -37.073 1.00 43.94 ? 446 SER B O 1 +ATOM 7907 C CB . SER B 2 445 ? -7.560 -24.402 -39.401 1.00 46.99 ? 446 SER B CB 1 +ATOM 7908 O OG . SER B 2 445 ? -7.976 -25.753 -39.514 1.00 43.24 ? 446 SER B OG 1 +ATOM 7909 N N . PRO B 2 446 ? -7.127 -24.477 -36.433 1.00 47.81 ? 447 PRO B N 1 +ATOM 7910 C CA . PRO B 2 446 ? -7.354 -25.204 -35.177 1.00 41.43 ? 447 PRO B CA 1 +ATOM 7911 C C . PRO B 2 446 ? -7.805 -26.643 -35.366 1.00 52.45 ? 447 PRO B C 1 +ATOM 7912 O O . PRO B 2 446 ? -7.487 -27.482 -34.510 1.00 48.46 ? 447 PRO B O 1 +ATOM 7913 C CB . PRO B 2 446 ? -8.431 -24.359 -34.479 1.00 49.54 ? 447 PRO B CB 1 +ATOM 7914 C CG . PRO B 2 446 ? -8.207 -22.982 -34.993 1.00 47.31 ? 447 PRO B CG 1 +ATOM 7915 C CD . PRO B 2 446 ? -7.706 -23.117 -36.392 1.00 47.34 ? 447 PRO B CD 1 +ATOM 7916 N N . ARG B 2 447 ? -8.530 -26.961 -36.450 1.00 40.66 ? 448 ARG B N 1 +ATOM 7917 C CA . ARG B 2 447 ? -8.856 -28.356 -36.722 1.00 43.31 ? 448 ARG B CA 1 +ATOM 7918 C C . ARG B 2 447 ? -7.594 -29.192 -36.849 1.00 45.80 ? 448 ARG B C 1 +ATOM 7919 O O . ARG B 2 447 ? -7.513 -30.297 -36.299 1.00 49.35 ? 448 ARG B O 1 +ATOM 7920 C CB . ARG B 2 447 ? -9.697 -28.482 -38.003 1.00 47.89 ? 448 ARG B CB 1 +ATOM 7921 C CG . ARG B 2 447 ? -10.280 -29.907 -38.222 1.00 42.67 ? 448 ARG B CG 1 +ATOM 7922 C CD . ARG B 2 447 ? -11.177 -30.027 -39.452 1.00 42.79 ? 448 ARG B CD 1 +ATOM 7923 N NE . ARG B 2 447 ? -12.357 -29.163 -39.423 1.00 47.50 ? 448 ARG B NE 1 +ATOM 7924 C CZ . ARG B 2 447 ? -13.517 -29.483 -38.858 1.00 47.57 ? 448 ARG B CZ 1 +ATOM 7925 N NH1 . ARG B 2 447 ? -13.706 -30.656 -38.280 1.00 45.62 ? 448 ARG B NH1 1 +ATOM 7926 N NH2 . ARG B 2 447 ? -14.515 -28.607 -38.886 1.00 44.64 ? 448 ARG B NH2 1 +ATOM 7927 N N . GLY B 2 448 ? -6.604 -28.687 -37.586 1.00 49.30 ? 449 GLY B N 1 +ATOM 7928 C CA . GLY B 2 448 ? -5.362 -29.425 -37.748 1.00 39.22 ? 449 GLY B CA 1 +ATOM 7929 C C . GLY B 2 448 ? -4.601 -29.571 -36.442 1.00 44.57 ? 449 GLY B C 1 +ATOM 7930 O O . GLY B 2 448 ? -4.181 -30.673 -36.084 1.00 43.74 ? 449 GLY B O 1 +ATOM 7931 N N . TRP B 2 449 ? -4.420 -28.460 -35.704 1.00 41.82 ? 450 TRP B N 1 +ATOM 7932 C CA . TRP B 2 449 ? -3.644 -28.521 -34.462 1.00 38.85 ? 450 TRP B CA 1 +ATOM 7933 C C . TRP B 2 449 ? -4.325 -29.409 -33.425 1.00 49.09 ? 450 TRP B C 1 +ATOM 7934 O O . TRP B 2 449 ? -3.655 -30.176 -32.723 1.00 46.63 ? 450 TRP B O 1 +ATOM 7935 C CB . TRP B 2 449 ? -3.396 -27.111 -33.886 1.00 34.70 ? 450 TRP B CB 1 +ATOM 7936 C CG . TRP B 2 449 ? -2.327 -26.345 -34.639 1.00 44.81 ? 450 TRP B CG 1 +ATOM 7937 C CD1 . TRP B 2 449 ? -2.509 -25.218 -35.374 1.00 39.34 ? 450 TRP B CD1 1 +ATOM 7938 C CD2 . TRP B 2 449 ? -0.928 -26.689 -34.767 1.00 45.31 ? 450 TRP B CD2 1 +ATOM 7939 N NE1 . TRP B 2 449 ? -1.320 -24.818 -35.929 1.00 42.56 ? 450 TRP B NE1 1 +ATOM 7940 C CE2 . TRP B 2 449 ? -0.335 -25.706 -35.584 1.00 47.31 ? 450 TRP B CE2 1 +ATOM 7941 C CE3 . TRP B 2 449 ? -0.130 -27.736 -34.276 1.00 45.44 ? 450 TRP B CE3 1 +ATOM 7942 C CZ2 . TRP B 2 449 ? 1.025 -25.730 -35.936 1.00 39.10 ? 450 TRP B CZ2 1 +ATOM 7943 C CZ3 . TRP B 2 449 ? 1.221 -27.758 -34.611 1.00 54.46 ? 450 TRP B CZ3 1 +ATOM 7944 C CH2 . TRP B 2 449 ? 1.786 -26.746 -35.439 1.00 46.55 ? 450 TRP B CH2 1 +ATOM 7945 N N . PHE B 2 450 ? -5.651 -29.314 -33.296 1.00 41.24 ? 451 PHE B N 1 +ATOM 7946 C CA . PHE B 2 450 ? -6.341 -30.163 -32.335 1.00 39.47 ? 451 PHE B CA 1 +ATOM 7947 C C . PHE B 2 450 ? -6.070 -31.633 -32.625 1.00 42.73 ? 451 PHE B C 1 +ATOM 7948 O O . PHE B 2 450 ? -5.728 -32.412 -31.730 1.00 46.98 ? 451 PHE B O 1 +ATOM 7949 C CB . PHE B 2 450 ? -7.850 -29.900 -32.362 1.00 44.51 ? 451 PHE B CB 1 +ATOM 7950 C CG . PHE B 2 450 ? -8.602 -30.749 -31.370 1.00 48.36 ? 451 PHE B CG 1 +ATOM 7951 C CD1 . PHE B 2 450 ? -8.932 -32.072 -31.677 1.00 42.24 ? 451 PHE B CD1 1 +ATOM 7952 C CD2 . PHE B 2 450 ? -8.916 -30.246 -30.101 1.00 42.15 ? 451 PHE B CD2 1 +ATOM 7953 C CE1 . PHE B 2 450 ? -9.584 -32.883 -30.758 1.00 48.04 ? 451 PHE B CE1 1 +ATOM 7954 C CE2 . PHE B 2 450 ? -9.587 -31.043 -29.170 1.00 48.39 ? 451 PHE B CE2 1 +ATOM 7955 C CZ . PHE B 2 450 ? -9.912 -32.380 -29.495 1.00 42.53 ? 451 PHE B CZ 1 +ATOM 7956 N N . THR B 2 451 ? -6.218 -32.013 -33.890 1.00 44.10 ? 452 THR B N 1 +ATOM 7957 C CA . THR B 2 451 ? -6.095 -33.398 -34.312 1.00 50.52 ? 452 THR B CA 1 +ATOM 7958 C C . THR B 2 451 ? -4.697 -33.933 -34.059 1.00 45.31 ? 452 THR B C 1 +ATOM 7959 O O . THR B 2 451 ? -4.531 -35.048 -33.554 1.00 47.04 ? 452 THR B O 1 +ATOM 7960 C CB . THR B 2 451 ? -6.472 -33.486 -35.795 1.00 42.32 ? 452 THR B CB 1 +ATOM 7961 O OG1 . THR B 2 451 ? -7.804 -32.980 -35.939 1.00 46.42 ? 452 THR B OG1 1 +ATOM 7962 C CG2 . THR B 2 451 ? -6.422 -34.950 -36.323 1.00 39.73 ? 452 THR B CG2 1 +ATOM 7963 N N . PHE B 2 452 ? -3.676 -33.160 -34.431 1.00 44.17 ? 453 PHE B N 1 +ATOM 7964 C CA . PHE B 2 452 ? -2.295 -33.574 -34.198 1.00 48.77 ? 453 PHE B CA 1 +ATOM 7965 C C . PHE B 2 452 ? -2.008 -33.765 -32.705 1.00 42.80 ? 453 PHE B C 1 +ATOM 7966 O O . PHE B 2 452 ? -1.515 -34.816 -32.285 1.00 44.88 ? 453 PHE B O 1 +ATOM 7967 C CB . PHE B 2 452 ? -1.352 -32.541 -34.809 1.00 48.34 ? 453 PHE B CB 1 +ATOM 7968 C CG . PHE B 2 452 ? 0.074 -32.736 -34.444 1.00 40.56 ? 453 PHE B CG 1 +ATOM 7969 C CD1 . PHE B 2 452 ? 0.789 -33.806 -34.940 1.00 42.20 ? 453 PHE B CD1 1 +ATOM 7970 C CD2 . PHE B 2 452 ? 0.711 -31.831 -33.610 1.00 45.09 ? 453 PHE B CD2 1 +ATOM 7971 C CE1 . PHE B 2 452 ? 2.127 -33.991 -34.608 1.00 45.18 ? 453 PHE B CE1 1 +ATOM 7972 C CE2 . PHE B 2 452 ? 2.038 -32.000 -33.271 1.00 51.79 ? 453 PHE B CE2 1 +ATOM 7973 C CZ . PHE B 2 452 ? 2.756 -33.083 -33.774 1.00 43.18 ? 453 PHE B CZ 1 +ATOM 7974 N N . ALA B 2 453 ? -2.303 -32.756 -31.885 1.00 44.53 ? 454 ALA B N 1 +ATOM 7975 C CA . ALA B 2 453 ? -2.034 -32.899 -30.456 1.00 44.58 ? 454 ALA B CA 1 +ATOM 7976 C C . ALA B 2 453 ? -2.739 -34.121 -29.898 1.00 47.43 ? 454 ALA B C 1 +ATOM 7977 O O . ALA B 2 453 ? -2.145 -34.895 -29.142 1.00 52.10 ? 454 ALA B O 1 +ATOM 7978 C CB . ALA B 2 453 ? -2.461 -31.653 -29.699 1.00 38.07 ? 454 ALA B CB 1 +ATOM 7979 N N . HIS B 2 454 ? -3.989 -34.345 -30.286 1.00 46.79 ? 455 HIS B N 1 +ATOM 7980 C CA . HIS B 2 454 ? -4.710 -35.428 -29.622 1.00 48.30 ? 455 HIS B CA 1 +ATOM 7981 C C . HIS B 2 454 ? -4.321 -36.808 -30.140 1.00 42.03 ? 455 HIS B C 1 +ATOM 7982 O O . HIS B 2 454 ? -4.261 -37.752 -29.347 1.00 48.75 ? 455 HIS B O 1 +ATOM 7983 C CB . HIS B 2 454 ? -6.209 -35.158 -29.686 1.00 40.20 ? 455 HIS B CB 1 +ATOM 7984 C CG . HIS B 2 454 ? -6.619 -34.106 -28.705 1.00 50.01 ? 455 HIS B CG 1 +ATOM 7985 N ND1 . HIS B 2 454 ? -6.489 -32.759 -28.966 1.00 45.26 ? 455 HIS B ND1 1 +ATOM 7986 C CD2 . HIS B 2 454 ? -7.027 -34.207 -27.412 1.00 48.80 ? 455 HIS B CD2 1 +ATOM 7987 C CE1 . HIS B 2 454 ? -6.866 -32.073 -27.896 1.00 48.60 ? 455 HIS B CE1 1 +ATOM 7988 N NE2 . HIS B 2 454 ? -7.191 -32.929 -26.937 1.00 46.62 ? 455 HIS B NE2 1 +ATOM 7989 N N . ALA B 2 455 ? -3.987 -36.950 -31.421 1.00 40.78 ? 456 ALA B N 1 +ATOM 7990 C CA . ALA B 2 455 ? -3.483 -38.241 -31.877 1.00 47.07 ? 456 ALA B CA 1 +ATOM 7991 C C . ALA B 2 455 ? -2.143 -38.562 -31.222 1.00 42.53 ? 456 ALA B C 1 +ATOM 7992 O O . ALA B 2 455 ? -1.861 -39.715 -30.887 1.00 50.62 ? 456 ALA B O 1 +ATOM 7993 C CB . ALA B 2 455 ? -3.359 -38.270 -33.411 1.00 39.29 ? 456 ALA B CB 1 +ATOM 7994 N N . VAL B 2 456 ? -1.291 -37.560 -31.064 1.00 45.69 ? 457 VAL B N 1 +ATOM 7995 C CA . VAL B 2 456 ? 0.006 -37.791 -30.449 1.00 47.23 ? 457 VAL B CA 1 +ATOM 7996 C C . VAL B 2 456 ? -0.166 -38.188 -28.988 1.00 48.79 ? 457 VAL B C 1 +ATOM 7997 O O . VAL B 2 456 ? 0.457 -39.141 -28.514 1.00 45.66 ? 457 VAL B O 1 +ATOM 7998 C CB . VAL B 2 456 ? 0.887 -36.537 -30.609 1.00 48.85 ? 457 VAL B CB 1 +ATOM 7999 C CG1 . VAL B 2 456 ? 2.080 -36.599 -29.692 1.00 42.82 ? 457 VAL B CG1 1 +ATOM 8000 C CG2 . VAL B 2 456 ? 1.340 -36.427 -32.061 1.00 45.03 ? 457 VAL B CG2 1 +ATOM 8001 N N . PHE B 2 457 ? -1.008 -37.461 -28.250 1.00 44.40 ? 458 PHE B N 1 +ATOM 8002 C CA . PHE B 2 457 ? -1.204 -37.792 -26.843 1.00 45.91 ? 458 PHE B CA 1 +ATOM 8003 C C . PHE B 2 457 ? -1.824 -39.168 -26.690 1.00 47.30 ? 458 PHE B C 1 +ATOM 8004 O O . PHE B 2 457 ? -1.420 -39.933 -25.810 1.00 51.14 ? 458 PHE B O 1 +ATOM 8005 C CB . PHE B 2 457 ? -2.074 -36.738 -26.141 1.00 51.54 ? 458 PHE B CB 1 +ATOM 8006 C CG . PHE B 2 457 ? -1.385 -35.418 -25.919 1.00 49.42 ? 458 PHE B CG 1 +ATOM 8007 C CD1 . PHE B 2 457 ? -0.023 -35.361 -25.671 1.00 55.47 ? 458 PHE B CD1 1 +ATOM 8008 C CD2 . PHE B 2 457 ? -2.108 -34.232 -25.965 1.00 50.85 ? 458 PHE B CD2 1 +ATOM 8009 C CE1 . PHE B 2 457 ? 0.607 -34.140 -25.469 1.00 60.46 ? 458 PHE B CE1 1 +ATOM 8010 C CE2 . PHE B 2 457 ? -1.486 -33.000 -25.757 1.00 48.96 ? 458 PHE B CE2 1 +ATOM 8011 C CZ . PHE B 2 457 ? -0.124 -32.962 -25.510 1.00 55.02 ? 458 PHE B CZ 1 +ATOM 8012 N N . ALA B 2 458 ? -2.804 -39.501 -27.540 1.00 43.74 ? 459 ALA B N 1 +ATOM 8013 C CA . ALA B 2 458 ? -3.413 -40.833 -27.506 1.00 45.77 ? 459 ALA B CA 1 +ATOM 8014 C C . ALA B 2 458 ? -2.356 -41.926 -27.650 1.00 46.59 ? 459 ALA B C 1 +ATOM 8015 O O . ALA B 2 458 ? -2.357 -42.918 -26.902 1.00 46.76 ? 459 ALA B O 1 +ATOM 8016 C CB . ALA B 2 458 ? -4.470 -40.962 -28.614 1.00 42.44 ? 459 ALA B CB 1 +ATOM 8017 N N . LEU B 2 459 ? -1.446 -41.761 -28.615 1.00 39.26 ? 460 LEU B N 1 +ATOM 8018 C CA . LEU B 2 459 ? -0.424 -42.771 -28.837 1.00 42.51 ? 460 LEU B CA 1 +ATOM 8019 C C . LEU B 2 459 ? 0.505 -42.885 -27.636 1.00 46.21 ? 460 LEU B C 1 +ATOM 8020 O O . LEU B 2 459 ? 0.847 -43.999 -27.222 1.00 51.86 ? 460 LEU B O 1 +ATOM 8021 C CB . LEU B 2 459 ? 0.358 -42.456 -30.110 1.00 38.24 ? 460 LEU B CB 1 +ATOM 8022 C CG . LEU B 2 459 ? 1.237 -43.553 -30.703 1.00 57.40 ? 460 LEU B CG 1 +ATOM 8023 C CD1 . LEU B 2 459 ? 0.380 -44.732 -31.157 1.00 54.82 ? 460 LEU B CD1 1 +ATOM 8024 C CD2 . LEU B 2 459 ? 2.034 -43.019 -31.882 1.00 56.04 ? 460 LEU B CD2 1 +ATOM 8025 N N . LEU B 2 460 ? 0.889 -41.743 -27.034 1.00 45.58 ? 461 LEU B N 1 +ATOM 8026 C CA . LEU B 2 460 ? 1.769 -41.776 -25.869 1.00 45.62 ? 461 LEU B CA 1 +ATOM 8027 C C . LEU B 2 460 ? 1.075 -42.393 -24.670 1.00 49.11 ? 461 LEU B C 1 +ATOM 8028 O O . LEU B 2 460 ? 1.725 -43.031 -23.832 1.00 51.67 ? 461 LEU B O 1 +ATOM 8029 C CB . LEU B 2 460 ? 2.248 -40.363 -25.498 1.00 48.81 ? 461 LEU B CB 1 +ATOM 8030 C CG . LEU B 2 460 ? 3.189 -39.635 -26.472 1.00 59.32 ? 461 LEU B CG 1 +ATOM 8031 C CD1 . LEU B 2 460 ? 3.459 -38.172 -26.001 1.00 46.98 ? 461 LEU B CD1 1 +ATOM 8032 C CD2 . LEU B 2 460 ? 4.476 -40.428 -26.616 1.00 47.72 ? 461 LEU B CD2 1 +ATOM 8033 N N . PHE B 2 461 ? -0.227 -42.136 -24.517 1.00 46.45 ? 462 PHE B N 1 +ATOM 8034 C CA . PHE B 2 461 ? -0.934 -42.678 -23.363 1.00 48.34 ? 462 PHE B CA 1 +ATOM 8035 C C . PHE B 2 461 ? -1.090 -44.187 -23.485 1.00 46.86 ? 462 PHE B C 1 +ATOM 8036 O O . PHE B 2 461 ? -1.146 -44.890 -22.472 1.00 48.10 ? 462 PHE B O 1 +ATOM 8037 C CB . PHE B 2 461 ? -2.277 -41.957 -23.190 1.00 40.01 ? 462 PHE B CB 1 +ATOM 8038 C CG . PHE B 2 461 ? -2.187 -40.763 -22.271 1.00 45.11 ? 462 PHE B CG 1 +ATOM 8039 C CD1 . PHE B 2 461 ? -1.365 -39.684 -22.597 1.00 42.00 ? 462 PHE B CD1 1 +ATOM 8040 C CD2 . PHE B 2 461 ? -2.899 -40.722 -21.076 1.00 45.01 ? 462 PHE B CD2 1 +ATOM 8041 C CE1 . PHE B 2 461 ? -1.244 -38.593 -21.753 1.00 41.06 ? 462 PHE B CE1 1 +ATOM 8042 C CE2 . PHE B 2 461 ? -2.794 -39.633 -20.213 1.00 42.45 ? 462 PHE B CE2 1 +ATOM 8043 C CZ . PHE B 2 461 ? -1.959 -38.559 -20.548 1.00 48.91 ? 462 PHE B CZ 1 +ATOM 8044 N N . PHE B 2 462 ? -1.106 -44.705 -24.708 1.00 43.77 ? 463 PHE B N 1 +ATOM 8045 C CA . PHE B 2 462 ? -1.014 -46.144 -24.891 1.00 49.97 ? 463 PHE B CA 1 +ATOM 8046 C C . PHE B 2 462 ? 0.194 -46.713 -24.159 1.00 56.56 ? 463 PHE B C 1 +ATOM 8047 O O . PHE B 2 462 ? 0.094 -47.761 -23.502 1.00 53.97 ? 463 PHE B O 1 +ATOM 8048 C CB . PHE B 2 462 ? -0.933 -46.489 -26.382 1.00 43.21 ? 463 PHE B CB 1 +ATOM 8049 C CG . PHE B 2 462 ? -0.536 -47.908 -26.638 1.00 48.31 ? 463 PHE B CG 1 +ATOM 8050 C CD1 . PHE B 2 462 ? -1.411 -48.943 -26.342 1.00 56.89 ? 463 PHE B CD1 1 +ATOM 8051 C CD2 . PHE B 2 462 ? 0.709 -48.215 -27.159 1.00 45.21 ? 463 PHE B CD2 1 +ATOM 8052 C CE1 . PHE B 2 462 ? -1.047 -50.277 -26.576 1.00 50.57 ? 463 PHE B CE1 1 +ATOM 8053 C CE2 . PHE B 2 462 ? 1.086 -49.523 -27.390 1.00 50.27 ? 463 PHE B CE2 1 +ATOM 8054 C CZ . PHE B 2 462 ? 0.205 -50.566 -27.104 1.00 58.38 ? 463 PHE B CZ 1 +ATOM 8055 N N . PHE B 2 463 ? 1.348 -46.043 -24.262 1.00 45.52 ? 464 PHE B N 1 +ATOM 8056 C CA . PHE B 2 463 ? 2.506 -46.527 -23.525 1.00 54.36 ? 464 PHE B CA 1 +ATOM 8057 C C . PHE B 2 463 ? 2.263 -46.442 -22.023 1.00 50.10 ? 464 PHE B C 1 +ATOM 8058 O O . PHE B 2 463 ? 2.657 -47.343 -21.273 1.00 50.39 ? 464 PHE B O 1 +ATOM 8059 C CB . PHE B 2 463 ? 3.780 -45.758 -23.888 1.00 46.12 ? 464 PHE B CB 1 +ATOM 8060 C CG . PHE B 2 463 ? 4.987 -46.289 -23.179 1.00 50.61 ? 464 PHE B CG 1 +ATOM 8061 C CD1 . PHE B 2 463 ? 5.668 -47.386 -23.689 1.00 48.69 ? 464 PHE B CD1 1 +ATOM 8062 C CD2 . PHE B 2 463 ? 5.390 -45.765 -21.952 1.00 47.65 ? 464 PHE B CD2 1 +ATOM 8063 C CE1 . PHE B 2 463 ? 6.761 -47.917 -23.006 1.00 52.02 ? 464 PHE B CE1 1 +ATOM 8064 C CE2 . PHE B 2 463 ? 6.490 -46.287 -21.274 1.00 45.10 ? 464 PHE B CE2 1 +ATOM 8065 C CZ . PHE B 2 463 ? 7.168 -47.367 -21.802 1.00 52.00 ? 464 PHE B CZ 1 +ATOM 8066 N N . GLY B 2 464 ? 1.613 -45.372 -21.565 1.00 41.90 ? 465 GLY B N 1 +ATOM 8067 C CA . GLY B 2 464 ? 1.273 -45.272 -20.150 1.00 43.20 ? 465 GLY B CA 1 +ATOM 8068 C C . GLY B 2 464 ? 0.406 -46.424 -19.653 1.00 53.67 ? 465 GLY B C 1 +ATOM 8069 O O . GLY B 2 464 ? 0.550 -46.876 -18.512 1.00 48.06 ? 465 GLY B O 1 +ATOM 8070 N N . HIS B 2 465 ? -0.524 -46.895 -20.492 1.00 43.18 ? 466 HIS B N 1 +ATOM 8071 C CA . HIS B 2 465 ? -1.405 -47.989 -20.094 1.00 50.20 ? 466 HIS B CA 1 +ATOM 8072 C C . HIS B 2 465 ? -0.610 -49.283 -19.942 1.00 48.95 ? 466 HIS B C 1 +ATOM 8073 O O . HIS B 2 465 ? -0.741 -49.996 -18.938 1.00 47.14 ? 466 HIS B O 1 +ATOM 8074 C CB . HIS B 2 465 ? -2.530 -48.141 -21.127 1.00 43.12 ? 466 HIS B CB 1 +ATOM 8075 C CG . HIS B 2 465 ? -3.227 -49.466 -21.097 1.00 54.54 ? 466 HIS B CG 1 +ATOM 8076 N ND1 . HIS B 2 465 ? -3.970 -49.899 -20.015 1.00 50.06 ? 466 HIS B ND1 1 +ATOM 8077 C CD2 . HIS B 2 465 ? -3.316 -50.445 -22.031 1.00 45.19 ? 466 HIS B CD2 1 +ATOM 8078 C CE1 . HIS B 2 465 ? -4.487 -51.084 -20.285 1.00 45.19 ? 466 HIS B CE1 1 +ATOM 8079 N NE2 . HIS B 2 465 ? -4.107 -51.437 -21.503 1.00 47.87 ? 466 HIS B NE2 1 +ATOM 8080 N N . ILE B 2 466 ? 0.246 -49.564 -20.927 1.00 43.47 ? 467 ILE B N 1 +ATOM 8081 C CA . ILE B 2 466 ? 1.133 -50.718 -20.908 1.00 49.15 ? 467 ILE B CA 1 +ATOM 8082 C C . ILE B 2 466 ? 2.033 -50.686 -19.688 1.00 54.38 ? 467 ILE B C 1 +ATOM 8083 O O . ILE B 2 466 ? 2.255 -51.720 -19.036 1.00 51.46 ? 467 ILE B O 1 +ATOM 8084 C CB . ILE B 2 466 ? 1.967 -50.759 -22.204 1.00 60.92 ? 467 ILE B CB 1 +ATOM 8085 C CG1 . ILE B 2 466 ? 1.095 -51.123 -23.408 1.00 49.45 ? 467 ILE B CG1 1 +ATOM 8086 C CG2 . ILE B 2 466 ? 3.144 -51.708 -22.052 1.00 59.58 ? 467 ILE B CG2 1 +ATOM 8087 C CD1 . ILE B 2 466 ? 0.121 -52.212 -23.127 1.00 54.12 ? 467 ILE B CD1 1 +ATOM 8088 N N A TRP B 2 467 ? 2.571 -49.502 -19.353 0.40 48.39 ? 468 TRP B N 1 +ATOM 8089 N N B TRP B 2 467 ? 2.566 -49.509 -19.354 0.60 48.43 ? 468 TRP B N 1 +ATOM 8090 C CA A TRP B 2 467 ? 3.513 -49.426 -18.248 0.40 44.64 ? 468 TRP B CA 1 +ATOM 8091 C CA B TRP B 2 467 ? 3.509 -49.427 -18.248 0.60 44.56 ? 468 TRP B CA 1 +ATOM 8092 C C A TRP B 2 467 ? 2.813 -49.660 -16.913 0.40 48.55 ? 468 TRP B C 1 +ATOM 8093 C C B TRP B 2 467 ? 2.806 -49.675 -16.919 0.60 48.59 ? 468 TRP B C 1 +ATOM 8094 O O A TRP B 2 467 ? 3.280 -50.446 -16.076 0.40 51.00 ? 468 TRP B O 1 +ATOM 8095 O O B TRP B 2 467 ? 3.254 -50.495 -16.104 0.60 51.12 ? 468 TRP B O 1 +ATOM 8096 C CB A TRP B 2 467 ? 4.223 -48.073 -18.255 0.40 43.53 ? 468 TRP B CB 1 +ATOM 8097 C CB B TRP B 2 467 ? 4.209 -48.064 -18.248 0.60 43.48 ? 468 TRP B CB 1 +ATOM 8098 C CG A TRP B 2 467 ? 5.010 -47.885 -17.002 0.40 43.57 ? 468 TRP B CG 1 +ATOM 8099 C CG B TRP B 2 467 ? 4.982 -47.873 -16.999 0.60 43.49 ? 468 TRP B CG 1 +ATOM 8100 C CD1 A TRP B 2 467 ? 4.657 -47.163 -15.901 0.40 45.19 ? 468 TRP B CD1 1 +ATOM 8101 C CD1 B TRP B 2 467 ? 4.601 -47.174 -15.892 0.60 45.23 ? 468 TRP B CD1 1 +ATOM 8102 C CD2 A TRP B 2 467 ? 6.277 -48.470 -16.720 0.40 46.36 ? 468 TRP B CD2 1 +ATOM 8103 C CD2 B TRP B 2 467 ? 6.254 -48.445 -16.702 0.60 46.28 ? 468 TRP B CD2 1 +ATOM 8104 N NE1 A TRP B 2 467 ? 5.631 -47.277 -14.929 0.40 46.77 ? 468 TRP B NE1 1 +ATOM 8105 N NE1 B TRP B 2 467 ? 5.570 -47.268 -14.918 0.60 46.83 ? 468 TRP B NE1 1 +ATOM 8106 C CE2 A TRP B 2 467 ? 6.638 -48.076 -15.413 0.40 47.16 ? 468 TRP B CE2 1 +ATOM 8107 C CE2 B TRP B 2 467 ? 6.598 -48.039 -15.394 0.60 47.15 ? 468 TRP B CE2 1 +ATOM 8108 C CE3 A TRP B 2 467 ? 7.145 -49.306 -17.449 0.40 49.01 ? 468 TRP B CE3 1 +ATOM 8109 C CE3 B TRP B 2 467 ? 7.146 -49.249 -17.422 0.60 49.07 ? 468 TRP B CE3 1 +ATOM 8110 C CZ2 A TRP B 2 467 ? 7.837 -48.483 -14.811 0.40 51.06 ? 468 TRP B CZ2 1 +ATOM 8111 C CZ2 B TRP B 2 467 ? 7.797 -48.422 -14.783 0.60 51.16 ? 468 TRP B CZ2 1 +ATOM 8112 C CZ3 A TRP B 2 467 ? 8.341 -49.707 -16.851 0.40 59.16 ? 468 TRP B CZ3 1 +ATOM 8113 C CZ3 B TRP B 2 467 ? 8.340 -49.623 -16.815 0.60 59.44 ? 468 TRP B CZ3 1 +ATOM 8114 C CH2 A TRP B 2 467 ? 8.676 -49.286 -15.544 0.40 47.33 ? 468 TRP B CH2 1 +ATOM 8115 C CH2 B TRP B 2 467 ? 8.656 -49.204 -15.510 0.60 47.21 ? 468 TRP B CH2 1 +ATOM 8116 N N . HIS B 2 468 ? 1.693 -48.979 -16.685 1.00 44.29 ? 469 HIS B N 1 +ATOM 8117 C CA . HIS B 2 468 ? 0.991 -49.131 -15.423 1.00 44.54 ? 469 HIS B CA 1 +ATOM 8118 C C . HIS B 2 468 ? 0.237 -50.460 -15.351 1.00 50.50 ? 469 HIS B C 1 +ATOM 8119 O O . HIS B 2 468 ? 0.146 -51.052 -14.271 1.00 49.77 ? 469 HIS B O 1 +ATOM 8120 C CB . HIS B 2 468 ? 0.078 -47.933 -15.210 1.00 41.10 ? 469 HIS B CB 1 +ATOM 8121 C CG . HIS B 2 468 ? 0.835 -46.671 -14.900 1.00 51.33 ? 469 HIS B CG 1 +ATOM 8122 N ND1 . HIS B 2 468 ? 1.530 -46.491 -13.722 1.00 44.02 ? 469 HIS B ND1 1 +ATOM 8123 C CD2 . HIS B 2 468 ? 1.036 -45.544 -15.630 1.00 46.58 ? 469 HIS B CD2 1 +ATOM 8124 C CE1 . HIS B 2 468 ? 2.106 -45.300 -13.729 1.00 49.94 ? 469 HIS B CE1 1 +ATOM 8125 N NE2 . HIS B 2 468 ? 1.816 -44.700 -14.874 1.00 44.41 ? 469 HIS B NE2 1 +ATOM 8126 N N . GLY B 2 469 ? -0.280 -50.955 -16.483 1.00 45.98 ? 470 GLY B N 1 +ATOM 8127 C CA . GLY B 2 469 ? -0.817 -52.309 -16.510 1.00 48.86 ? 470 GLY B CA 1 +ATOM 8128 C C . GLY B 2 469 ? 0.203 -53.337 -16.065 1.00 53.89 ? 470 GLY B C 1 +ATOM 8129 O O . GLY B 2 469 ? -0.097 -54.209 -15.247 1.00 49.04 ? 470 GLY B O 1 +ATOM 8130 N N . ALA B 2 470 ? 1.436 -53.219 -16.575 1.00 51.28 ? 471 ALA B N 1 +ATOM 8131 C CA . ALA B 2 470 ? 2.504 -54.141 -16.212 1.00 49.25 ? 471 ALA B CA 1 +ATOM 8132 C C . ALA B 2 470 ? 2.850 -54.039 -14.731 1.00 48.71 ? 471 ALA B C 1 +ATOM 8133 O O . ALA B 2 470 ? 3.051 -55.063 -14.067 1.00 57.96 ? 471 ALA B O 1 +ATOM 8134 C CB . ALA B 2 470 ? 3.745 -53.882 -17.073 1.00 40.91 ? 471 ALA B CB 1 +ATOM 8135 N N . ARG B 2 471 ? 2.931 -52.820 -14.194 1.00 54.03 ? 472 ARG B N 1 +ATOM 8136 C CA . ARG B 2 471 ? 3.244 -52.654 -12.774 1.00 47.99 ? 472 ARG B CA 1 +ATOM 8137 C C . ARG B 2 471 ? 2.157 -53.234 -11.891 1.00 49.95 ? 472 ARG B C 1 +ATOM 8138 O O . ARG B 2 471 ? 2.434 -53.662 -10.767 1.00 57.42 ? 472 ARG B O 1 +ATOM 8139 C CB . ARG B 2 471 ? 3.428 -51.179 -12.416 1.00 45.24 ? 472 ARG B CB 1 +ATOM 8140 C CG . ARG B 2 471 ? 4.721 -50.603 -12.912 1.00 63.01 ? 472 ARG B CG 1 +ATOM 8141 C CD . ARG B 2 471 ? 5.409 -49.613 -11.963 1.00 51.69 ? 472 ARG B CD 1 +ATOM 8142 N NE . ARG B 2 471 ? 4.602 -49.195 -10.830 1.00 51.29 ? 472 ARG B NE 1 +ATOM 8143 C CZ . ARG B 2 471 ? 4.978 -49.328 -9.561 1.00 61.73 ? 472 ARG B CZ 1 +ATOM 8144 N NH1 . ARG B 2 471 ? 6.178 -49.788 -9.237 1.00 54.73 ? 472 ARG B NH1 1 +ATOM 8145 N NH2 . ARG B 2 471 ? 4.121 -49.017 -8.594 1.00 52.83 ? 472 ARG B NH2 1 +ATOM 8146 N N . THR B 2 472 ? 0.911 -53.209 -12.353 1.00 50.65 ? 473 THR B N 1 +ATOM 8147 C CA . THR B 2 472 ? -0.166 -53.788 -11.567 1.00 55.77 ? 473 THR B CA 1 +ATOM 8148 C C . THR B 2 472 ? -0.034 -55.307 -11.503 1.00 52.67 ? 473 THR B C 1 +ATOM 8149 O O . THR B 2 472 ? -0.060 -55.895 -10.418 1.00 53.41 ? 473 THR B O 1 +ATOM 8150 C CB . THR B 2 472 ? -1.512 -53.381 -12.156 1.00 55.61 ? 473 THR B CB 1 +ATOM 8151 O OG1 . THR B 2 472 ? -1.581 -51.952 -12.222 1.00 53.34 ? 473 THR B OG1 1 +ATOM 8152 C CG2 . THR B 2 472 ? -2.652 -53.903 -11.286 1.00 53.55 ? 473 THR B CG2 1 +ATOM 8153 N N . LEU B 2 473 ? 0.141 -55.954 -12.660 1.00 56.14 ? 474 LEU B N 1 +ATOM 8154 C CA . LEU B 2 473 ? 0.117 -57.414 -12.729 1.00 58.31 ? 474 LEU B CA 1 +ATOM 8155 C C . LEU B 2 473 ? 1.432 -58.057 -12.306 1.00 52.36 ? 474 LEU B C 1 +ATOM 8156 O O . LEU B 2 473 ? 1.447 -59.256 -12.022 1.00 55.54 ? 474 LEU B O 1 +ATOM 8157 C CB . LEU B 2 473 ? -0.256 -57.863 -14.148 1.00 57.30 ? 474 LEU B CB 1 +ATOM 8158 C CG . LEU B 2 473 ? -1.615 -57.346 -14.636 1.00 61.52 ? 474 LEU B CG 1 +ATOM 8159 C CD1 . LEU B 2 473 ? -1.918 -57.794 -16.069 1.00 57.67 ? 474 LEU B CD1 1 +ATOM 8160 C CD2 . LEU B 2 473 ? -2.719 -57.776 -13.701 1.00 53.09 ? 474 LEU B CD2 1 +ATOM 8161 N N . PHE B 2 474 ? 2.526 -57.300 -12.256 1.00 52.50 ? 475 PHE B N 1 +ATOM 8162 C CA . PHE B 2 474 ? 3.845 -57.838 -11.946 1.00 50.02 ? 475 PHE B CA 1 +ATOM 8163 C C . PHE B 2 474 ? 4.461 -57.130 -10.745 1.00 52.02 ? 475 PHE B C 1 +ATOM 8164 O O . PHE B 2 474 ? 5.685 -57.092 -10.598 1.00 52.95 ? 475 PHE B O 1 +ATOM 8165 C CB . PHE B 2 474 ? 4.785 -57.736 -13.146 1.00 46.43 ? 475 PHE B CB 1 +ATOM 8166 C CG . PHE B 2 474 ? 4.413 -58.617 -14.302 1.00 48.71 ? 475 PHE B CG 1 +ATOM 8167 C CD1 . PHE B 2 474 ? 3.371 -58.268 -15.148 1.00 48.83 ? 475 PHE B CD1 1 +ATOM 8168 C CD2 . PHE B 2 474 ? 5.123 -59.777 -14.560 1.00 48.11 ? 475 PHE B CD2 1 +ATOM 8169 C CE1 . PHE B 2 474 ? 3.045 -59.071 -16.229 1.00 50.47 ? 475 PHE B CE1 1 +ATOM 8170 C CE2 . PHE B 2 474 ? 4.796 -60.595 -15.634 1.00 53.55 ? 475 PHE B CE2 1 +ATOM 8171 C CZ . PHE B 2 474 ? 3.752 -60.240 -16.475 1.00 49.68 ? 475 PHE B CZ 1 +ATOM 8172 N N . ARG B 2 475 ? 3.615 -56.577 -9.877 1.00 52.19 ? 476 ARG B N 1 +ATOM 8173 C CA . ARG B 2 475 ? 4.092 -55.825 -8.722 1.00 51.80 ? 476 ARG B CA 1 +ATOM 8174 C C . ARG B 2 475 ? 5.071 -56.630 -7.875 1.00 56.44 ? 476 ARG B C 1 +ATOM 8175 O O . ARG B 2 475 ? 6.001 -56.063 -7.284 1.00 62.33 ? 476 ARG B O 1 +ATOM 8176 C CB . ARG B 2 475 ? 2.893 -55.393 -7.884 1.00 56.83 ? 476 ARG B CB 1 +ATOM 8177 C CG . ARG B 2 475 ? 3.231 -54.656 -6.622 1.00 67.28 ? 476 ARG B CG 1 +ATOM 8178 C CD . ARG B 2 475 ? 1.949 -54.301 -5.884 1.00 90.43 ? 476 ARG B CD 1 +ATOM 8179 N NE . ARG B 2 475 ? 2.190 -53.909 -4.499 1.00 129.73 ? 476 ARG B NE 1 +ATOM 8180 C CZ . ARG B 2 475 ? 1.238 -53.639 -3.613 1.00 123.96 ? 476 ARG B CZ 1 +ATOM 8181 N NH1 . ARG B 2 475 ? -0.046 -53.708 -3.930 1.00 92.35 ? 476 ARG B NH1 1 +ATOM 8182 N NH2 . ARG B 2 475 ? 1.585 -53.288 -2.376 1.00 142.12 ? 476 ARG B NH2 1 +ATOM 8183 N N . ASP B 2 476 ? 4.885 -57.952 -7.820 1.00 51.29 ? 477 ASP B N 1 +ATOM 8184 C CA . ASP B 2 476 ? 5.696 -58.792 -6.954 1.00 51.69 ? 477 ASP B CA 1 +ATOM 8185 C C . ASP B 2 476 ? 7.138 -58.879 -7.430 1.00 62.88 ? 477 ASP B C 1 +ATOM 8186 O O . ASP B 2 476 ? 8.038 -59.093 -6.611 1.00 64.44 ? 477 ASP B O 1 +ATOM 8187 C CB . ASP B 2 476 ? 5.085 -60.190 -6.867 1.00 57.31 ? 477 ASP B CB 1 +ATOM 8188 C CG . ASP B 2 476 ? 4.808 -60.786 -8.231 1.00 61.99 ? 477 ASP B CG 1 +ATOM 8189 O OD1 . ASP B 2 476 ? 4.225 -60.094 -9.097 1.00 73.88 ? 477 ASP B OD1 1 +ATOM 8190 O OD2 . ASP B 2 476 ? 5.191 -61.942 -8.449 1.00 72.99 ? 477 ASP B OD2 1 +ATOM 8191 N N A VAL B 2 477 ? 7.384 -58.724 -8.729 0.40 52.06 ? 478 VAL B N 1 +ATOM 8192 N N B VAL B 2 477 ? 7.387 -58.700 -8.726 0.60 51.98 ? 478 VAL B N 1 +ATOM 8193 C CA A VAL B 2 477 ? 8.746 -58.822 -9.251 0.40 56.28 ? 478 VAL B CA 1 +ATOM 8194 C CA B VAL B 2 477 ? 8.737 -58.793 -9.270 0.60 56.22 ? 478 VAL B CA 1 +ATOM 8195 C C A VAL B 2 477 ? 9.285 -57.459 -9.702 0.40 56.83 ? 478 VAL B C 1 +ATOM 8196 C C B VAL B 2 477 ? 9.264 -57.428 -9.723 0.60 56.75 ? 478 VAL B C 1 +ATOM 8197 O O A VAL B 2 477 ? 10.284 -57.400 -10.421 0.40 65.36 ? 478 VAL B O 1 +ATOM 8198 O O B VAL B 2 477 ? 10.267 -57.363 -10.429 0.60 65.55 ? 478 VAL B O 1 +ATOM 8199 C CB A VAL B 2 477 ? 8.847 -59.873 -10.373 0.40 55.31 ? 478 VAL B CB 1 +ATOM 8200 C CB B VAL B 2 477 ? 8.815 -59.829 -10.407 0.60 55.17 ? 478 VAL B CB 1 +ATOM 8201 C CG1 A VAL B 2 477 ? 8.638 -61.274 -9.803 0.40 57.01 ? 478 VAL B CG1 1 +ATOM 8202 C CG1 B VAL B 2 477 ? 8.601 -61.238 -9.854 0.60 57.05 ? 478 VAL B CG1 1 +ATOM 8203 C CG2 A VAL B 2 477 ? 7.830 -59.607 -11.475 0.40 56.47 ? 478 VAL B CG2 1 +ATOM 8204 C CG2 B VAL B 2 477 ? 7.791 -59.526 -11.492 0.60 56.49 ? 478 VAL B CG2 1 +ATOM 8205 N N A PHE B 2 478 ? 8.666 -56.354 -9.264 0.40 60.68 ? 479 PHE B N 1 +ATOM 8206 N N B PHE B 2 478 ? 8.621 -56.333 -9.302 0.60 60.62 ? 479 PHE B N 1 +ATOM 8207 C CA A PHE B 2 478 ? 9.090 -55.026 -9.721 0.40 64.04 ? 479 PHE B CA 1 +ATOM 8208 C CA B PHE B 2 478 ? 9.047 -55.000 -9.729 0.60 63.92 ? 479 PHE B CA 1 +ATOM 8209 C C A PHE B 2 478 ? 10.556 -54.751 -9.392 0.40 68.33 ? 479 PHE B C 1 +ATOM 8210 C C B PHE B 2 478 ? 10.522 -54.751 -9.422 0.60 68.42 ? 479 PHE B C 1 +ATOM 8211 O O A PHE B 2 478 ? 11.258 -54.099 -10.168 0.40 67.43 ? 479 PHE B O 1 +ATOM 8212 O O B PHE B 2 478 ? 11.231 -54.136 -10.224 0.60 67.49 ? 479 PHE B O 1 +ATOM 8213 C CB A PHE B 2 478 ? 8.199 -53.934 -9.113 0.40 73.12 ? 479 PHE B CB 1 +ATOM 8214 C CB B PHE B 2 478 ? 8.178 -53.927 -9.065 0.60 73.25 ? 479 PHE B CB 1 +ATOM 8215 C CG A PHE B 2 478 ? 8.589 -52.501 -9.526 0.40 79.03 ? 479 PHE B CG 1 +ATOM 8216 C CG B PHE B 2 478 ? 8.561 -52.501 -9.436 0.60 79.29 ? 479 PHE B CG 1 +ATOM 8217 C CD1 A PHE B 2 478 ? 8.315 -52.023 -10.808 0.40 69.25 ? 479 PHE B CD1 1 +ATOM 8218 C CD1 B PHE B 2 478 ? 8.306 -52.006 -10.714 0.60 69.34 ? 479 PHE B CD1 1 +ATOM 8219 C CD2 A PHE B 2 478 ? 9.206 -51.637 -8.617 0.40 66.28 ? 479 PHE B CD2 1 +ATOM 8220 C CD2 B PHE B 2 478 ? 9.162 -51.659 -8.504 0.60 66.23 ? 479 PHE B CD2 1 +ATOM 8221 C CE1 A PHE B 2 478 ? 8.663 -50.708 -11.190 0.40 65.51 ? 479 PHE B CE1 1 +ATOM 8222 C CE1 B PHE B 2 478 ? 8.651 -50.702 -11.062 0.60 65.64 ? 479 PHE B CE1 1 +ATOM 8223 C CE2 A PHE B 2 478 ? 9.556 -50.328 -8.982 0.40 73.68 ? 479 PHE B CE2 1 +ATOM 8224 C CE2 B PHE B 2 478 ? 9.509 -50.353 -8.838 0.60 73.81 ? 479 PHE B CE2 1 +ATOM 8225 C CZ A PHE B 2 478 ? 9.286 -49.858 -10.271 0.40 67.57 ? 479 PHE B CZ 1 +ATOM 8226 C CZ B PHE B 2 478 ? 9.252 -49.869 -10.124 0.60 68.12 ? 479 PHE B CZ 1 +ATOM 8227 N N A SER B 2 479 ? 11.039 -55.229 -8.253 0.40 61.71 ? 480 SER B N 1 +ATOM 8228 N N B SER B 2 479 ? 11.006 -55.225 -8.277 0.60 61.62 ? 480 SER B N 1 +ATOM 8229 C CA A SER B 2 479 ? 12.425 -54.990 -7.867 0.40 65.30 ? 480 SER B CA 1 +ATOM 8230 C CA B SER B 2 479 ? 12.387 -54.983 -7.877 0.60 65.32 ? 480 SER B CA 1 +ATOM 8231 C C A SER B 2 479 ? 13.379 -56.079 -8.346 0.40 62.60 ? 480 SER B C 1 +ATOM 8232 C C B SER B 2 479 ? 13.359 -56.045 -8.378 0.60 62.52 ? 480 SER B C 1 +ATOM 8233 O O A SER B 2 479 ? 14.585 -55.981 -8.094 0.40 69.88 ? 480 SER B O 1 +ATOM 8234 O O B SER B 2 479 ? 14.569 -55.896 -8.178 0.60 70.11 ? 480 SER B O 1 +ATOM 8235 C CB A SER B 2 479 ? 12.530 -54.847 -6.347 0.40 59.37 ? 480 SER B CB 1 +ATOM 8236 C CB B SER B 2 479 ? 12.490 -54.879 -6.350 0.60 59.23 ? 480 SER B CB 1 +ATOM 8237 O OG A SER B 2 479 ? 11.769 -53.731 -5.906 0.40 72.57 ? 480 SER B OG 1 +ATOM 8238 O OG B SER B 2 479 ? 11.676 -53.823 -5.859 0.60 73.13 ? 480 SER B OG 1 +ATOM 8239 N N A GLY B 2 480 ? 12.883 -57.106 -9.025 0.40 61.32 ? 481 GLY B N 1 +ATOM 8240 N N B GLY B 2 480 ? 12.874 -57.104 -9.018 0.60 61.32 ? 481 GLY B N 1 +ATOM 8241 C CA A GLY B 2 480 ? 13.751 -58.176 -9.486 0.40 58.89 ? 481 GLY B CA 1 +ATOM 8242 C CA B GLY B 2 480 ? 13.739 -58.183 -9.453 0.60 58.83 ? 481 GLY B CA 1 +ATOM 8243 C C A GLY B 2 480 ? 13.089 -59.522 -9.313 0.40 58.63 ? 481 GLY B C 1 +ATOM 8244 C C B GLY B 2 480 ? 13.048 -59.520 -9.317 0.60 58.55 ? 481 GLY B C 1 +ATOM 8245 O O A GLY B 2 480 ? 12.032 -59.611 -8.688 0.40 61.61 ? 481 GLY B O 1 +ATOM 8246 O O B GLY B 2 480 ? 11.987 -59.610 -8.694 0.60 61.62 ? 481 GLY B O 1 +ATOM 8247 N N A ILE B 2 481 ? 13.666 -60.568 -9.869 0.40 61.19 ? 482 ILE B N 1 +ATOM 8248 N N B ILE B 2 481 ? 13.616 -60.569 -9.900 0.60 61.12 ? 482 ILE B N 1 +ATOM 8249 C CA A ILE B 2 481 ? 13.046 -61.882 -9.776 0.40 70.38 ? 482 ILE B CA 1 +ATOM 8250 C CA B ILE B 2 481 ? 12.993 -61.886 -9.801 0.60 70.58 ? 482 ILE B CA 1 +ATOM 8251 C C A ILE B 2 481 ? 13.537 -62.575 -8.512 0.40 65.86 ? 482 ILE B C 1 +ATOM 8252 C C B ILE B 2 481 ? 13.494 -62.581 -8.542 0.60 65.88 ? 482 ILE B C 1 +ATOM 8253 O O A ILE B 2 481 ? 14.495 -62.145 -7.862 0.40 62.83 ? 482 ILE B O 1 +ATOM 8254 O O B ILE B 2 481 ? 14.469 -62.136 -7.919 0.60 62.81 ? 482 ILE B O 1 +ATOM 8255 C CB A ILE B 2 481 ? 13.313 -62.745 -11.028 0.40 64.02 ? 482 ILE B CB 1 +ATOM 8256 C CB B ILE B 2 481 ? 13.248 -62.746 -11.056 0.60 64.05 ? 482 ILE B CB 1 +ATOM 8257 C CG1 A ILE B 2 481 ? 14.784 -63.172 -11.101 0.40 64.78 ? 482 ILE B CG1 1 +ATOM 8258 C CG1 B ILE B 2 481 ? 14.706 -63.216 -11.108 0.60 64.89 ? 482 ILE B CG1 1 +ATOM 8259 C CG2 A ILE B 2 481 ? 12.873 -61.995 -12.297 0.40 58.60 ? 482 ILE B CG2 1 +ATOM 8260 C CG2 B ILE B 2 481 ? 12.870 -61.970 -12.319 0.60 58.52 ? 482 ILE B CG2 1 +ATOM 8261 C CD1 A ILE B 2 481 ? 15.084 -64.131 -12.305 0.40 61.87 ? 482 ILE B CD1 1 +ATOM 8262 C CD1 B ILE B 2 481 ? 14.990 -64.233 -12.245 0.60 61.80 ? 482 ILE B CD1 1 +ATOM 8263 N N A ASP B 2 482 ? 12.858 -63.652 -8.155 0.40 69.75 ? 483 ASP B N 1 +ATOM 8264 N N B ASP B 2 482 ? 12.821 -63.651 -8.151 0.60 69.78 ? 483 ASP B N 1 +ATOM 8265 C CA A ASP B 2 482 ? 13.150 -64.332 -6.904 0.40 68.59 ? 483 ASP B CA 1 +ATOM 8266 C CA B ASP B 2 482 ? 13.135 -64.328 -6.905 0.60 68.49 ? 483 ASP B CA 1 +ATOM 8267 C C A ASP B 2 482 ? 14.579 -64.870 -6.904 0.40 65.19 ? 483 ASP B C 1 +ATOM 8268 C C B ASP B 2 482 ? 14.567 -64.859 -6.905 0.60 64.97 ? 483 ASP B C 1 +ATOM 8269 O O A ASP B 2 482 ? 14.947 -65.647 -7.805 0.40 65.93 ? 483 ASP B O 1 +ATOM 8270 O O B ASP B 2 482 ? 14.930 -65.647 -7.795 0.60 65.76 ? 483 ASP B O 1 +ATOM 8271 C CB A ASP B 2 482 ? 12.165 -65.463 -6.664 0.40 77.51 ? 483 ASP B CB 1 +ATOM 8272 C CB B ASP B 2 482 ? 12.159 -65.475 -6.668 0.60 77.52 ? 483 ASP B CB 1 +ATOM 8273 C CG A ASP B 2 482 ? 12.315 -66.051 -5.286 0.40 82.67 ? 483 ASP B CG 1 +ATOM 8274 C CG B ASP B 2 482 ? 12.289 -66.055 -5.278 0.60 82.70 ? 483 ASP B CG 1 +ATOM 8275 O OD1 A ASP B 2 482 ? 11.753 -65.473 -4.330 0.40 99.10 ? 483 ASP B OD1 1 +ATOM 8276 O OD1 B ASP B 2 482 ? 11.741 -65.454 -4.329 0.60 99.44 ? 483 ASP B OD1 1 +ATOM 8277 O OD2 A ASP B 2 482 ? 13.030 -67.062 -5.156 0.40 81.24 ? 483 ASP B OD2 1 +ATOM 8278 O OD2 B ASP B 2 482 ? 12.963 -67.093 -5.129 0.60 81.38 ? 483 ASP B OD2 1 +ATOM 8279 N N A PRO B 2 483 ? 15.414 -64.474 -5.942 0.40 71.79 ? 484 PRO B N 1 +ATOM 8280 N N B PRO B 2 483 ? 15.397 -64.477 -5.930 0.60 71.77 ? 484 PRO B N 1 +ATOM 8281 C CA A PRO B 2 483 ? 16.805 -64.955 -5.926 0.40 72.13 ? 484 PRO B CA 1 +ATOM 8282 C CA B PRO B 2 483 ? 16.791 -64.958 -5.915 0.60 72.10 ? 484 PRO B CA 1 +ATOM 8283 C C A PRO B 2 483 ? 16.912 -66.459 -5.787 0.40 81.24 ? 484 PRO B C 1 +ATOM 8284 C C B PRO B 2 483 ? 16.899 -66.464 -5.813 0.60 81.34 ? 484 PRO B C 1 +ATOM 8285 O O A PRO B 2 483 ? 17.961 -67.027 -6.119 0.40 81.25 ? 484 PRO B O 1 +ATOM 8286 O O B PRO B 2 483 ? 17.939 -67.028 -6.174 0.60 81.32 ? 484 PRO B O 1 +ATOM 8287 C CB A PRO B 2 483 ? 17.418 -64.237 -4.714 0.40 68.11 ? 484 PRO B CB 1 +ATOM 8288 C CB B PRO B 2 483 ? 17.391 -64.274 -4.677 0.60 68.00 ? 484 PRO B CB 1 +ATOM 8289 C CG A PRO B 2 483 ? 16.476 -63.119 -4.401 0.40 71.56 ? 484 PRO B CG 1 +ATOM 8290 C CG B PRO B 2 483 ? 16.443 -63.162 -4.339 0.60 71.60 ? 484 PRO B CG 1 +ATOM 8291 C CD A PRO B 2 483 ? 15.119 -63.581 -4.813 0.40 68.83 ? 484 PRO B CD 1 +ATOM 8292 C CD B PRO B 2 483 ? 15.089 -63.622 -4.772 0.60 68.76 ? 484 PRO B CD 1 +ATOM 8293 N N . GLU B 2 484 ? 15.855 -67.131 -5.324 1.00 67.24 ? 485 GLU B N 1 +ATOM 8294 C CA . GLU B 2 484 ? 15.823 -68.579 -5.193 1.00 90.49 ? 485 GLU B CA 1 +ATOM 8295 C C . GLU B 2 484 ? 14.961 -69.232 -6.269 1.00 97.13 ? 485 GLU B C 1 +ATOM 8296 O O . GLU B 2 484 ? 14.339 -70.267 -6.017 1.00 103.02 ? 485 GLU B O 1 +ATOM 8297 C CB . GLU B 2 484 ? 15.314 -68.973 -3.806 1.00 87.57 ? 485 GLU B CB 1 +ATOM 8298 C CG . GLU B 2 484 ? 15.900 -68.165 -2.660 1.00 95.89 ? 485 GLU B CG 1 +ATOM 8299 C CD . GLU B 2 484 ? 17.339 -68.539 -2.348 1.00 135.31 ? 485 GLU B CD 1 +ATOM 8300 O OE1 . GLU B 2 484 ? 17.967 -69.264 -3.156 1.00 126.18 ? 485 GLU B OE1 1 +ATOM 8301 O OE2 . GLU B 2 484 ? 17.840 -68.110 -1.283 1.00 159.09 ? 485 GLU B OE2 1 +ATOM 8302 N N A LEU B 2 485 ? 14.889 -68.626 -7.456 0.40 95.74 ? 486 LEU B N 1 +ATOM 8303 N N B LEU B 2 485 ? 14.907 -68.643 -7.461 0.60 95.95 ? 486 LEU B N 1 +ATOM 8304 C CA A LEU B 2 485 ? 14.129 -69.226 -8.545 0.40 85.70 ? 486 LEU B CA 1 +ATOM 8305 C CA B LEU B 2 485 ? 14.126 -69.223 -8.545 0.60 85.56 ? 486 LEU B CA 1 +ATOM 8306 C C A LEU B 2 485 ? 14.742 -70.577 -8.877 0.40 95.89 ? 486 LEU B C 1 +ATOM 8307 C C B LEU B 2 485 ? 14.727 -70.574 -8.914 0.60 96.02 ? 486 LEU B C 1 +ATOM 8308 O O A LEU B 2 485 ? 15.932 -70.666 -9.201 0.40 88.25 ? 486 LEU B O 1 +ATOM 8309 O O B LEU B 2 485 ? 15.901 -70.658 -9.291 0.60 88.26 ? 486 LEU B O 1 +ATOM 8310 C CB A LEU B 2 485 ? 14.119 -68.315 -9.774 0.40 88.34 ? 486 LEU B CB 1 +ATOM 8311 C CB B LEU B 2 485 ? 14.099 -68.285 -9.751 0.60 88.39 ? 486 LEU B CB 1 +ATOM 8312 C CG A LEU B 2 485 ? 12.922 -68.421 -10.730 0.40 85.12 ? 486 LEU B CG 1 +ATOM 8313 C CG B LEU B 2 485 ? 12.904 -68.387 -10.710 0.60 85.13 ? 486 LEU B CG 1 +ATOM 8314 C CD1 A LEU B 2 485 ? 11.646 -67.937 -10.060 0.40 85.38 ? 486 LEU B CD1 1 +ATOM 8315 C CD1 B LEU B 2 485 ? 11.617 -67.944 -10.035 0.60 85.39 ? 486 LEU B CD1 1 +ATOM 8316 C CD2 A LEU B 2 485 ? 13.165 -67.624 -11.994 0.40 82.81 ? 486 LEU B CD2 1 +ATOM 8317 C CD2 B LEU B 2 485 ? 13.146 -67.559 -11.952 0.60 82.85 ? 486 LEU B CD2 1 +ATOM 8318 N N . SER B 2 486 ? 13.932 -71.625 -8.773 1.00 80.33 ? 487 SER B N 1 +ATOM 8319 C CA . SER B 2 486 ? 14.405 -72.973 -9.057 1.00 97.60 ? 487 SER B CA 1 +ATOM 8320 C C . SER B 2 486 ? 14.580 -73.156 -10.558 1.00 98.32 ? 487 SER B C 1 +ATOM 8321 O O . SER B 2 486 ? 13.635 -72.902 -11.320 1.00 67.66 ? 487 SER B O 1 +ATOM 8322 C CB . SER B 2 486 ? 13.417 -74.011 -8.513 1.00 105.40 ? 487 SER B CB 1 +ATOM 8323 O OG . SER B 2 486 ? 12.078 -73.673 -8.856 1.00 103.35 ? 487 SER B OG 1 +ATOM 8324 N N . PRO B 2 487 ? 15.750 -73.612 -11.021 1.00 75.60 ? 488 PRO B N 1 +ATOM 8325 C CA . PRO B 2 487 ? 15.911 -73.879 -12.464 1.00 84.72 ? 488 PRO B CA 1 +ATOM 8326 C C . PRO B 2 487 ? 14.851 -74.808 -13.023 1.00 93.85 ? 488 PRO B C 1 +ATOM 8327 O O . PRO B 2 487 ? 14.624 -74.793 -14.238 1.00 80.06 ? 488 PRO B O 1 +ATOM 8328 C CB . PRO B 2 487 ? 17.314 -74.499 -12.563 1.00 72.89 ? 488 PRO B CB 1 +ATOM 8329 C CG . PRO B 2 487 ? 18.023 -74.069 -11.312 1.00 81.16 ? 488 PRO B CG 1 +ATOM 8330 C CD . PRO B 2 487 ? 16.952 -73.964 -10.247 1.00 76.93 ? 488 PRO B CD 1 +ATOM 8331 N N . GLU B 2 488 ? 14.152 -75.573 -12.180 1.00 91.56 ? 489 GLU B N 1 +ATOM 8332 C CA . GLU B 2 488 ? 13.155 -76.498 -12.694 1.00 98.73 ? 489 GLU B CA 1 +ATOM 8333 C C . GLU B 2 488 ? 11.879 -75.782 -13.098 1.00 92.76 ? 489 GLU B C 1 +ATOM 8334 O O . GLU B 2 488 ? 11.146 -76.284 -13.958 1.00 98.17 ? 489 GLU B O 1 +ATOM 8335 C CB . GLU B 2 488 ? 12.836 -77.583 -11.668 1.00 107.86 ? 489 GLU B CB 1 +ATOM 8336 C CG . GLU B 2 488 ? 14.017 -78.458 -11.306 1.00 100.72 ? 489 GLU B CG 1 +ATOM 8337 C CD . GLU B 2 488 ? 13.642 -79.517 -10.290 1.00 141.66 ? 489 GLU B CD 1 +ATOM 8338 O OE1 . GLU B 2 488 ? 12.434 -79.844 -10.200 1.00 131.07 ? 489 GLU B OE1 1 +ATOM 8339 O OE2 . GLU B 2 488 ? 14.550 -80.012 -9.580 1.00 142.71 ? 489 GLU B OE2 1 +ATOM 8340 N N . GLN B 2 489 ? 11.581 -74.625 -12.502 1.00 89.16 ? 490 GLN B N 1 +ATOM 8341 C CA . GLN B 2 489 ? 10.400 -73.891 -12.936 1.00 91.73 ? 490 GLN B CA 1 +ATOM 8342 C C . GLN B 2 489 ? 10.558 -73.336 -14.347 1.00 97.35 ? 490 GLN B C 1 +ATOM 8343 O O . GLN B 2 489 ? 9.552 -73.104 -15.028 1.00 103.98 ? 490 GLN B O 1 +ATOM 8344 C CB . GLN B 2 489 ? 10.082 -72.742 -11.974 1.00 117.14 ? 490 GLN B CB 1 +ATOM 8345 C CG . GLN B 2 489 ? 8.698 -72.114 -12.235 1.00 137.65 ? 490 GLN B CG 1 +ATOM 8346 C CD . GLN B 2 489 ? 8.602 -70.629 -11.890 1.00 117.47 ? 490 GLN B CD 1 +ATOM 8347 O OE1 . GLN B 2 489 ? 9.612 -69.968 -11.630 1.00 116.87 ? 490 GLN B OE1 1 +ATOM 8348 N NE2 . GLN B 2 489 ? 7.376 -70.099 -11.890 1.00 92.41 ? 490 GLN B NE2 1 +ATOM 8349 N N A VAL B 2 490 ? 11.793 -73.136 -14.807 0.40 86.13 ? 491 VAL B N 1 +ATOM 8350 N N B VAL B 2 490 ? 11.792 -73.118 -14.799 0.60 86.15 ? 491 VAL B N 1 +ATOM 8351 C CA A VAL B 2 490 ? 12.040 -72.477 -16.087 0.40 77.15 ? 491 VAL B CA 1 +ATOM 8352 C CA B VAL B 2 490 ? 12.043 -72.459 -16.076 0.60 77.02 ? 491 VAL B CA 1 +ATOM 8353 C C A VAL B 2 490 ? 12.639 -73.403 -17.119 0.40 84.03 ? 491 VAL B C 1 +ATOM 8354 C C B VAL B 2 490 ? 12.614 -73.394 -17.122 0.60 84.12 ? 491 VAL B C 1 +ATOM 8355 O O A VAL B 2 490 ? 12.773 -72.997 -18.286 0.40 82.51 ? 491 VAL B O 1 +ATOM 8356 O O B VAL B 2 490 ? 12.678 -73.011 -18.302 0.60 82.70 ? 491 VAL B O 1 +ATOM 8357 C CB A VAL B 2 490 ? 12.941 -71.241 -15.917 0.40 77.60 ? 491 VAL B CB 1 +ATOM 8358 C CB B VAL B 2 490 ? 12.969 -71.240 -15.902 0.60 77.71 ? 491 VAL B CB 1 +ATOM 8359 C CG1 A VAL B 2 490 ? 12.355 -70.342 -14.862 0.40 70.15 ? 491 VAL B CG1 1 +ATOM 8360 C CG1 B VAL B 2 490 ? 12.389 -70.304 -14.860 0.60 70.06 ? 491 VAL B CG1 1 +ATOM 8361 C CG2 A VAL B 2 490 ? 14.353 -71.674 -15.557 0.40 66.11 ? 491 VAL B CG2 1 +ATOM 8362 C CG2 B VAL B 2 490 ? 14.366 -71.693 -15.519 0.60 65.96 ? 491 VAL B CG2 1 +ATOM 8363 N N A GLU B 2 491 ? 13.006 -74.621 -16.741 0.40 82.18 ? 492 GLU B N 1 +ATOM 8364 N N B GLU B 2 491 ? 13.037 -74.594 -16.742 0.60 82.03 ? 492 GLU B N 1 +ATOM 8365 C CA A GLU B 2 491 ? 13.457 -75.616 -17.696 0.40 90.13 ? 492 GLU B CA 1 +ATOM 8366 C CA B GLU B 2 491 ? 13.457 -75.590 -17.712 0.60 90.16 ? 492 GLU B CA 1 +ATOM 8367 C C A GLU B 2 491 ? 12.286 -76.490 -18.129 0.40 84.82 ? 492 GLU B C 1 +ATOM 8368 C C B GLU B 2 491 ? 12.258 -76.420 -18.158 0.60 84.68 ? 492 GLU B C 1 +ATOM 8369 O O A GLU B 2 491 ? 11.287 -76.634 -17.419 0.40 91.79 ? 492 GLU B O 1 +ATOM 8370 O O B GLU B 2 491 ? 11.236 -76.504 -17.472 0.60 91.91 ? 492 GLU B O 1 +ATOM 8371 C CB A GLU B 2 491 ? 14.580 -76.471 -17.106 0.40 98.18 ? 492 GLU B CB 1 +ATOM 8372 C CB B GLU B 2 491 ? 14.548 -76.491 -17.133 0.60 98.25 ? 492 GLU B CB 1 +ATOM 8373 C CG A GLU B 2 491 ? 15.899 -75.721 -16.973 0.40 92.99 ? 492 GLU B CG 1 +ATOM 8374 C CG B GLU B 2 491 ? 15.891 -75.788 -16.967 0.60 92.98 ? 492 GLU B CG 1 +ATOM 8375 C CD A GLU B 2 491 ? 16.957 -76.533 -16.257 0.40 118.88 ? 492 GLU B CD 1 +ATOM 8376 C CD B GLU B 2 491 ? 16.877 -76.611 -16.161 0.60 119.22 ? 492 GLU B CD 1 +ATOM 8377 O OE1 A GLU B 2 491 ? 16.927 -77.782 -16.370 0.40 119.63 ? 492 GLU B OE1 1 +ATOM 8378 O OE1 B GLU B 2 491 ? 16.795 -77.860 -16.214 0.60 119.46 ? 492 GLU B OE1 1 +ATOM 8379 O OE2 A GLU B 2 491 ? 17.810 -75.922 -15.572 0.40 125.47 ? 492 GLU B OE2 1 +ATOM 8380 O OE2 B GLU B 2 491 ? 17.724 -76.006 -15.465 0.60 126.09 ? 492 GLU B OE2 1 +ATOM 8381 N N A TRP B 2 492 ? 12.430 -77.087 -19.309 0.40 76.48 ? 493 TRP B N 1 +ATOM 8382 N N B TRP B 2 492 ? 12.402 -77.042 -19.323 0.60 76.42 ? 493 TRP B N 1 +ATOM 8383 C CA A TRP B 2 492 ? 11.302 -77.708 -19.985 0.40 77.16 ? 493 TRP B CA 1 +ATOM 8384 C CA B TRP B 2 492 ? 11.278 -77.683 -19.986 0.60 77.05 ? 493 TRP B CA 1 +ATOM 8385 C C A TRP B 2 492 ? 11.051 -79.122 -19.470 0.40 89.28 ? 493 TRP B C 1 +ATOM 8386 C C B TRP B 2 492 ? 11.051 -79.096 -19.460 0.60 89.46 ? 493 TRP B C 1 +ATOM 8387 O O A TRP B 2 492 ? 11.990 -79.890 -19.227 0.40 79.47 ? 493 TRP B O 1 +ATOM 8388 O O B TRP B 2 492 ? 11.999 -79.839 -19.191 0.60 79.32 ? 493 TRP B O 1 +ATOM 8389 C CB A TRP B 2 492 ? 11.546 -77.724 -21.494 0.40 74.02 ? 493 TRP B CB 1 +ATOM 8390 C CB B TRP B 2 492 ? 11.511 -77.709 -21.495 0.60 73.98 ? 493 TRP B CB 1 +ATOM 8391 C CG A TRP B 2 492 ? 11.318 -76.376 -22.142 0.40 76.08 ? 493 TRP B CG 1 +ATOM 8392 C CG B TRP B 2 492 ? 11.311 -76.366 -22.142 0.60 76.18 ? 493 TRP B CG 1 +ATOM 8393 C CD1 A TRP B 2 492 ? 10.192 -75.957 -22.793 0.40 70.30 ? 493 TRP B CD1 1 +ATOM 8394 C CD1 B TRP B 2 492 ? 10.196 -75.933 -22.794 0.60 70.25 ? 493 TRP B CD1 1 +ATOM 8395 C CD2 A TRP B 2 492 ? 12.236 -75.277 -22.182 0.40 69.22 ? 493 TRP B CD2 1 +ATOM 8396 C CD2 B TRP B 2 492 ? 12.246 -75.278 -22.179 0.60 69.17 ? 493 TRP B CD2 1 +ATOM 8397 N NE1 A TRP B 2 492 ? 10.358 -74.671 -23.250 0.40 74.34 ? 493 TRP B NE1 1 +ATOM 8398 N NE1 B TRP B 2 492 ? 10.380 -74.651 -23.249 0.60 74.54 ? 493 TRP B NE1 1 +ATOM 8399 C CE2 A TRP B 2 492 ? 11.605 -74.229 -22.889 0.40 73.31 ? 493 TRP B CE2 1 +ATOM 8400 C CE2 B TRP B 2 492 ? 11.629 -74.224 -22.884 0.60 73.52 ? 493 TRP B CE2 1 +ATOM 8401 C CE3 A TRP B 2 492 ? 13.535 -75.083 -21.703 0.40 61.82 ? 493 TRP B CE3 1 +ATOM 8402 C CE3 B TRP B 2 492 ? 13.547 -75.097 -21.695 0.60 61.53 ? 493 TRP B CE3 1 +ATOM 8403 C CZ2 A TRP B 2 492 ? 12.222 -72.993 -23.109 0.40 62.25 ? 493 TRP B CZ2 1 +ATOM 8404 C CZ2 B TRP B 2 492 ? 12.263 -73.000 -23.110 0.60 62.19 ? 493 TRP B CZ2 1 +ATOM 8405 C CZ3 A TRP B 2 492 ? 14.154 -73.858 -21.936 0.40 75.14 ? 493 TRP B CZ3 1 +ATOM 8406 C CZ3 B TRP B 2 492 ? 14.180 -73.884 -21.929 0.60 75.38 ? 493 TRP B CZ3 1 +ATOM 8407 C CH2 A TRP B 2 492 ? 13.494 -72.828 -22.629 0.40 60.83 ? 493 TRP B CH2 1 +ATOM 8408 C CH2 B TRP B 2 492 ? 13.535 -72.850 -22.628 0.60 60.69 ? 493 TRP B CH2 1 +ATOM 8409 N N . GLY B 2 493 ? 9.775 -79.455 -19.307 1.00 78.29 ? 494 GLY B N 1 +ATOM 8410 C CA . GLY B 2 493 ? 9.380 -80.795 -18.926 1.00 109.77 ? 494 GLY B CA 1 +ATOM 8411 C C . GLY B 2 493 ? 9.086 -81.044 -17.458 1.00 103.41 ? 494 GLY B C 1 +ATOM 8412 O O . GLY B 2 493 ? 8.220 -81.873 -17.155 1.00 114.84 ? 494 GLY B O 1 +ATOM 8413 N N . PHE B 2 494 ? 9.785 -80.356 -16.543 1.00 92.01 ? 495 PHE B N 1 +ATOM 8414 C CA . PHE B 2 494 ? 9.627 -80.643 -15.117 1.00 78.86 ? 495 PHE B CA 1 +ATOM 8415 C C . PHE B 2 494 ? 8.179 -80.511 -14.674 1.00 79.57 ? 495 PHE B C 1 +ATOM 8416 O O . PHE B 2 494 ? 7.695 -81.315 -13.872 1.00 88.12 ? 495 PHE B O 1 +ATOM 8417 C CB . PHE B 2 494 ? 10.520 -79.724 -14.282 1.00 77.81 ? 495 PHE B CB 1 +ATOM 8418 C CG . PHE B 2 494 ? 11.986 -80.014 -14.425 1.00 103.97 ? 495 PHE B CG 1 +ATOM 8419 C CD1 . PHE B 2 494 ? 12.715 -79.463 -15.473 1.00 114.69 ? 495 PHE B CD1 1 +ATOM 8420 C CD2 . PHE B 2 494 ? 12.633 -80.843 -13.526 1.00 100.79 ? 495 PHE B CD2 1 +ATOM 8421 C CE1 . PHE B 2 494 ? 14.069 -79.732 -15.619 1.00 98.14 ? 495 PHE B CE1 1 +ATOM 8422 C CE2 . PHE B 2 494 ? 13.987 -81.114 -13.664 1.00 115.44 ? 495 PHE B CE2 1 +ATOM 8423 C CZ . PHE B 2 494 ? 14.705 -80.556 -14.712 1.00 110.95 ? 495 PHE B CZ 1 +ATOM 8424 N N . TYR B 2 495 ? 7.477 -79.506 -15.171 1.00 73.29 ? 496 TYR B N 1 +ATOM 8425 C CA . TYR B 2 495 ? 6.071 -79.314 -14.865 1.00 76.34 ? 496 TYR B CA 1 +ATOM 8426 C C . TYR B 2 495 ? 5.266 -79.539 -16.133 1.00 81.11 ? 496 TYR B C 1 +ATOM 8427 O O . TYR B 2 495 ? 5.721 -79.206 -17.232 1.00 89.20 ? 496 TYR B O 1 +ATOM 8428 C CB . TYR B 2 495 ? 5.787 -77.906 -14.326 1.00 78.70 ? 496 TYR B CB 1 +ATOM 8429 C CG . TYR B 2 495 ? 6.604 -77.465 -13.129 1.00 81.97 ? 496 TYR B CG 1 +ATOM 8430 C CD1 . TYR B 2 495 ? 7.222 -78.386 -12.288 1.00 86.64 ? 496 TYR B CD1 1 +ATOM 8431 C CD2 . TYR B 2 495 ? 6.745 -76.109 -12.834 1.00 101.31 ? 496 TYR B CD2 1 +ATOM 8432 C CE1 . TYR B 2 495 ? 7.966 -77.972 -11.185 1.00 98.45 ? 496 TYR B CE1 1 +ATOM 8433 C CE2 . TYR B 2 495 ? 7.481 -75.679 -11.729 1.00 111.28 ? 496 TYR B CE2 1 +ATOM 8434 C CZ . TYR B 2 495 ? 8.090 -76.619 -10.906 1.00 126.06 ? 496 TYR B CZ 1 +ATOM 8435 O OH . TYR B 2 495 ? 8.826 -76.198 -9.814 1.00 121.80 ? 496 TYR B OH 1 +ATOM 8436 N N . GLN B 2 496 ? 4.077 -80.119 -15.993 1.00 77.59 ? 497 GLN B N 1 +ATOM 8437 C CA . GLN B 2 496 ? 3.235 -80.288 -17.170 1.00 82.68 ? 497 GLN B CA 1 +ATOM 8438 C C . GLN B 2 496 ? 2.641 -78.958 -17.596 1.00 77.62 ? 497 GLN B C 1 +ATOM 8439 O O . GLN B 2 496 ? 2.511 -78.679 -18.793 1.00 67.65 ? 497 GLN B O 1 +ATOM 8440 C CB . GLN B 2 496 ? 2.112 -81.277 -16.897 1.00 79.95 ? 497 GLN B CB 1 +ATOM 8441 C CG . GLN B 2 496 ? 2.539 -82.654 -16.459 1.00 108.78 ? 497 GLN B CG 1 +ATOM 8442 C CD . GLN B 2 496 ? 1.352 -83.443 -15.954 1.00 108.09 ? 497 GLN B CD 1 +ATOM 8443 O OE1 . GLN B 2 496 ? 0.471 -83.826 -16.733 1.00 91.94 ? 497 GLN B OE1 1 +ATOM 8444 N NE2 . GLN B 2 496 ? 1.289 -83.643 -14.633 1.00 104.76 ? 497 GLN B NE2 1 +ATOM 8445 N N . LYS B 2 497 ? 2.230 -78.154 -16.623 1.00 69.89 ? 498 LYS B N 1 +ATOM 8446 C CA . LYS B 2 497 ? 1.657 -76.842 -16.846 1.00 65.81 ? 498 LYS B CA 1 +ATOM 8447 C C . LYS B 2 497 ? 2.709 -75.812 -16.472 1.00 80.82 ? 498 LYS B C 1 +ATOM 8448 O O . LYS B 2 497 ? 3.293 -75.888 -15.380 1.00 67.45 ? 498 LYS B O 1 +ATOM 8449 C CB . LYS B 2 497 ? 0.389 -76.651 -16.021 1.00 67.72 ? 498 LYS B CB 1 +ATOM 8450 C CG . LYS B 2 497 ? -0.434 -75.450 -16.434 1.00 69.80 ? 498 LYS B CG 1 +ATOM 8451 C CD . LYS B 2 497 ? -1.583 -75.235 -15.467 1.00 71.49 ? 498 LYS B CD 1 +ATOM 8452 C CE . LYS B 2 497 ? -2.490 -74.111 -15.907 1.00 66.95 ? 498 LYS B CE 1 +ATOM 8453 N NZ . LYS B 2 497 ? -3.568 -73.854 -14.919 1.00 65.16 ? 498 LYS B NZ 1 +ATOM 8454 N N . VAL B 2 498 ? 2.967 -74.874 -17.391 1.00 65.94 ? 499 VAL B N 1 +ATOM 8455 C CA . VAL B 2 498 ? 4.026 -73.899 -17.183 1.00 59.98 ? 499 VAL B CA 1 +ATOM 8456 C C . VAL B 2 498 ? 3.726 -73.106 -15.927 1.00 59.64 ? 499 VAL B C 1 +ATOM 8457 O O . VAL B 2 498 ? 2.610 -72.604 -15.743 1.00 65.83 ? 499 VAL B O 1 +ATOM 8458 C CB . VAL B 2 498 ? 4.175 -72.982 -18.407 1.00 68.06 ? 499 VAL B CB 1 +ATOM 8459 C CG1 . VAL B 2 498 ? 5.197 -71.903 -18.113 1.00 64.50 ? 499 VAL B CG1 1 +ATOM 8460 C CG2 . VAL B 2 498 ? 4.603 -73.780 -19.636 1.00 61.32 ? 499 VAL B CG2 1 +ATOM 8461 N N . GLY B 2 499 ? 4.712 -73.028 -15.035 1.00 62.39 ? 500 GLY B N 1 +ATOM 8462 C CA . GLY B 2 499 ? 4.584 -72.235 -13.829 1.00 73.38 ? 500 GLY B CA 1 +ATOM 8463 C C . GLY B 2 499 ? 3.714 -72.831 -12.741 1.00 93.83 ? 500 GLY B C 1 +ATOM 8464 O O . GLY B 2 499 ? 3.398 -72.135 -11.773 1.00 78.42 ? 500 GLY B O 1 +ATOM 8465 N N . ASP B 2 500 ? 3.302 -74.091 -12.858 1.00 71.75 ? 501 ASP B N 1 +ATOM 8466 C CA . ASP B 2 500 ? 2.406 -74.692 -11.872 1.00 72.26 ? 501 ASP B CA 1 +ATOM 8467 C C . ASP B 2 500 ? 3.132 -75.853 -11.194 1.00 66.38 ? 501 ASP B C 1 +ATOM 8468 O O . ASP B 2 500 ? 3.261 -76.939 -11.772 1.00 74.93 ? 501 ASP B O 1 +ATOM 8469 C CB . ASP B 2 500 ? 1.098 -75.127 -12.522 1.00 70.75 ? 501 ASP B CB 1 +ATOM 8470 C CG . ASP B 2 500 ? 0.058 -75.576 -11.501 1.00 88.65 ? 501 ASP B CG 1 +ATOM 8471 O OD1 . ASP B 2 500 ? 0.442 -75.994 -10.387 1.00 73.49 ? 501 ASP B OD1 1 +ATOM 8472 O OD2 . ASP B 2 500 ? -1.150 -75.504 -11.813 1.00 83.47 ? 501 ASP B OD2 1 +ATOM 8473 N N . VAL B 2 501 ? 3.570 -75.628 -9.951 1.00 66.59 ? 502 VAL B N 1 +ATOM 8474 C CA . VAL B 2 501 ? 4.436 -76.583 -9.273 1.00 77.34 ? 502 VAL B CA 1 +ATOM 8475 C C . VAL B 2 501 ? 3.677 -77.848 -8.864 1.00 83.98 ? 502 VAL B C 1 +ATOM 8476 O O . VAL B 2 501 ? 4.301 -78.895 -8.666 1.00 86.81 ? 502 VAL B O 1 +ATOM 8477 C CB . VAL B 2 501 ? 5.129 -75.916 -8.065 1.00 82.76 ? 502 VAL B CB 1 +ATOM 8478 C CG1 . VAL B 2 501 ? 4.125 -75.570 -6.964 1.00 73.21 ? 502 VAL B CG1 1 +ATOM 8479 C CG2 . VAL B 2 501 ? 6.239 -76.806 -7.527 1.00 86.16 ? 502 VAL B CG2 1 +ATOM 8480 N N . THR B 2 502 ? 2.340 -77.790 -8.776 1.00 75.69 ? 503 THR B N 1 +ATOM 8481 C CA . THR B 2 502 ? 1.519 -78.966 -8.498 1.00 68.59 ? 503 THR B CA 1 +ATOM 8482 C C . THR B 2 502 ? 1.421 -79.933 -9.677 1.00 88.91 ? 503 THR B C 1 +ATOM 8483 O O . THR B 2 502 ? 0.710 -80.938 -9.558 1.00 84.92 ? 503 THR B O 1 +ATOM 8484 C CB . THR B 2 502 ? 0.094 -78.564 -8.094 1.00 82.86 ? 503 THR B CB 1 +ATOM 8485 O OG1 . THR B 2 502 ? -0.663 -78.212 -9.259 1.00 80.44 ? 503 THR B OG1 1 +ATOM 8486 C CG2 . THR B 2 502 ? 0.105 -77.394 -7.108 1.00 74.88 ? 503 THR B CG2 1 +ATOM 8487 N N . THR B 2 503 ? 2.085 -79.669 -10.811 1.00 83.63 ? 504 THR B N 1 +ATOM 8488 C CA . THR B 2 503 ? 1.974 -80.528 -11.986 1.00 64.13 ? 504 THR B CA 1 +ATOM 8489 C C . THR B 2 503 ? 3.322 -81.141 -12.350 1.00 76.69 ? 504 THR B C 1 +ATOM 8490 O O . THR B 2 503 ? 3.559 -81.494 -13.511 1.00 73.14 ? 504 THR B O 1 +ATOM 8491 C CB . THR B 2 503 ? 1.377 -79.769 -13.183 1.00 76.51 ? 504 THR B CB 1 +ATOM 8492 O OG1 . THR B 2 503 ? 2.312 -78.808 -13.694 1.00 69.66 ? 504 THR B OG1 1 +ATOM 8493 C CG2 . THR B 2 503 ? 0.092 -79.048 -12.779 1.00 78.24 ? 504 THR B CG2 1 +ATOM 8494 N N . ARG B 2 504 ? 4.211 -81.279 -11.368 1.00 79.02 ? 505 ARG B N 1 +ATOM 8495 C CA . ARG B 2 504 ? 5.399 -82.123 -11.536 1.00 99.24 ? 505 ARG B CA 1 +ATOM 8496 C C . ARG B 2 504 ? 5.023 -83.548 -11.946 1.00 78.84 ? 505 ARG B C 1 +ATOM 8497 O O . ARG B 2 504 ? 5.591 -84.104 -12.892 1.00 90.82 ? 505 ARG B O 1 +ATOM 8498 C CB . ARG B 2 504 ? 6.215 -82.169 -10.251 1.00 97.66 ? 505 ARG B CB 1 +ATOM 8499 C CG . ARG B 2 504 ? 7.387 -81.215 -10.225 1.00 105.82 ? 505 ARG B CG 1 +ATOM 8500 C CD . ARG B 2 504 ? 8.483 -81.707 -9.281 1.00 126.72 ? 505 ARG B CD 1 +ATOM 8501 N NE . ARG B 2 504 ? 8.957 -83.038 -9.650 1.00 161.59 ? 505 ARG B NE 1 +ATOM 8502 C CZ . ARG B 2 504 ? 9.992 -83.280 -10.446 1.00 155.74 ? 505 ARG B CZ 1 +ATOM 8503 N NH1 . ARG B 2 504 ? 10.325 -84.516 -10.792 1.00 152.92 ? 505 ARG B NH1 1 +ATOM 8504 N NH2 . ARG B 2 504 ? 10.711 -82.257 -10.904 1.00 124.42 ? 505 ARG B NH2 1 +ATOM 8505 N N . ALA C 3 5 ? 43.138 -90.702 -36.022 1.00 179.71 ? 23 ALA C N 1 +ATOM 8506 C CA . ALA C 3 5 ? 42.674 -89.339 -36.263 1.00 156.82 ? 23 ALA C CA 1 +ATOM 8507 C C . ALA C 3 5 ? 43.498 -88.327 -35.467 1.00 161.92 ? 23 ALA C C 1 +ATOM 8508 O O . ALA C 3 5 ? 43.025 -87.778 -34.464 1.00 164.87 ? 23 ALA C O 1 +ATOM 8509 C CB . ALA C 3 5 ? 41.192 -89.217 -35.920 1.00 151.59 ? 23 ALA C CB 1 +ATOM 8510 N N . THR C 3 6 ? 44.729 -88.083 -35.918 1.00 115.28 ? 24 THR C N 1 +ATOM 8511 C CA . THR C 3 6 ? 45.633 -87.152 -35.239 1.00 122.08 ? 24 THR C CA 1 +ATOM 8512 C C . THR C 3 6 ? 45.121 -85.729 -35.412 1.00 99.17 ? 24 THR C C 1 +ATOM 8513 O O . THR C 3 6 ? 45.058 -85.213 -36.534 1.00 92.37 ? 24 THR C O 1 +ATOM 8514 C CB . THR C 3 6 ? 47.057 -87.295 -35.773 1.00 114.01 ? 24 THR C CB 1 +ATOM 8515 O OG1 . THR C 3 6 ? 47.731 -88.335 -35.052 1.00 143.05 ? 24 THR C OG1 1 +ATOM 8516 C CG2 . THR C 3 6 ? 47.848 -85.992 -35.613 1.00 86.77 ? 24 THR C CG2 1 +ATOM 8517 N N . ASN C 3 7 ? 44.733 -85.111 -34.296 1.00 99.68 ? 25 ASN C N 1 +ATOM 8518 C CA . ASN C 3 7 ? 44.337 -83.707 -34.252 1.00 90.39 ? 25 ASN C CA 1 +ATOM 8519 C C . ASN C 3 7 ? 43.087 -83.431 -35.083 1.00 93.29 ? 25 ASN C C 1 +ATOM 8520 O O . ASN C 3 7 ? 42.891 -82.313 -35.561 1.00 83.76 ? 25 ASN C O 1 +ATOM 8521 C CB . ASN C 3 7 ? 45.483 -82.805 -34.719 1.00 104.86 ? 25 ASN C CB 1 +ATOM 8522 C CG . ASN C 3 7 ? 45.790 -81.708 -33.740 1.00 110.11 ? 25 ASN C CG 1 +ATOM 8523 O OD1 . ASN C 3 7 ? 45.590 -81.864 -32.533 1.00 120.37 ? 25 ASN C OD1 1 +ATOM 8524 N ND2 . ASN C 3 7 ? 46.276 -80.584 -34.248 1.00 102.35 ? 25 ASN C ND2 1 +ATOM 8525 N N . ARG C 3 8 ? 42.224 -84.431 -35.274 1.00 86.47 ? 26 ARG C N 1 +ATOM 8526 C CA . ARG C 3 8 ? 41.063 -84.276 -36.144 1.00 82.25 ? 26 ARG C CA 1 +ATOM 8527 C C . ARG C 3 8 ? 39.757 -84.161 -35.369 1.00 66.40 ? 26 ARG C C 1 +ATOM 8528 O O . ARG C 3 8 ? 38.685 -84.455 -35.907 1.00 74.07 ? 26 ARG C O 1 +ATOM 8529 C CB . ARG C 3 8 ? 40.993 -85.421 -37.152 1.00 75.67 ? 26 ARG C CB 1 +ATOM 8530 C CG . ARG C 3 8 ? 42.026 -85.298 -38.254 1.00 64.56 ? 26 ARG C CG 1 +ATOM 8531 C CD . ARG C 3 8 ? 41.388 -85.417 -39.630 1.00 80.47 ? 26 ARG C CD 1 +ATOM 8532 N NE . ARG C 3 8 ? 40.659 -86.667 -39.811 1.00 87.99 ? 26 ARG C NE 1 +ATOM 8533 C CZ . ARG C 3 8 ? 41.234 -87.844 -40.039 1.00 112.03 ? 26 ARG C CZ 1 +ATOM 8534 N NH1 . ARG C 3 8 ? 42.552 -87.971 -40.101 1.00 84.90 ? 26 ARG C NH1 1 +ATOM 8535 N NH2 . ARG C 3 8 ? 40.468 -88.921 -40.205 1.00 97.76 ? 26 ARG C NH2 1 +ATOM 8536 N N . ASP C 3 9 ? 39.818 -83.723 -34.120 1.00 68.82 ? 27 ASP C N 1 +ATOM 8537 C CA . ASP C 3 9 ? 38.609 -83.378 -33.393 1.00 71.75 ? 27 ASP C CA 1 +ATOM 8538 C C . ASP C 3 9 ? 38.929 -82.206 -32.483 1.00 64.14 ? 27 ASP C C 1 +ATOM 8539 O O . ASP C 3 9 ? 40.086 -81.798 -32.342 1.00 73.09 ? 27 ASP C O 1 +ATOM 8540 C CB . ASP C 3 9 ? 38.070 -84.577 -32.609 1.00 91.31 ? 27 ASP C CB 1 +ATOM 8541 C CG . ASP C 3 9 ? 39.128 -85.225 -31.762 1.00 64.52 ? 27 ASP C CG 1 +ATOM 8542 O OD1 . ASP C 3 9 ? 39.471 -84.656 -30.710 1.00 80.25 ? 27 ASP C OD1 1 +ATOM 8543 O OD2 . ASP C 3 9 ? 39.642 -86.288 -32.165 1.00 108.39 ? 27 ASP C OD2 1 +ATOM 8544 N N . GLN C 3 10 ? 37.889 -81.660 -31.859 1.00 62.88 ? 28 GLN C N 1 +ATOM 8545 C CA . GLN C 3 10 ? 38.110 -80.490 -31.013 1.00 69.73 ? 28 GLN C CA 1 +ATOM 8546 C C . GLN C 3 10 ? 38.876 -80.835 -29.735 1.00 86.55 ? 28 GLN C C 1 +ATOM 8547 O O . GLN C 3 10 ? 39.652 -80.005 -29.237 1.00 68.26 ? 28 GLN C O 1 +ATOM 8548 C CB . GLN C 3 10 ? 36.780 -79.832 -30.673 1.00 60.51 ? 28 GLN C CB 1 +ATOM 8549 C CG . GLN C 3 10 ? 36.930 -78.684 -29.700 1.00 82.40 ? 28 GLN C CG 1 +ATOM 8550 C CD . GLN C 3 10 ? 35.712 -77.804 -29.671 1.00 84.53 ? 28 GLN C CD 1 +ATOM 8551 O OE1 . GLN C 3 10 ? 34.633 -78.220 -30.095 1.00 86.07 ? 28 GLN C OE1 1 +ATOM 8552 N NE2 . GLN C 3 10 ? 35.871 -76.579 -29.180 1.00 78.17 ? 28 GLN C NE2 1 +ATOM 8553 N N . GLU C 3 11 ? 38.693 -82.051 -29.201 1.00 73.72 ? 29 GLU C N 1 +ATOM 8554 C CA . GLU C 3 11 ? 39.319 -82.398 -27.926 1.00 84.41 ? 29 GLU C CA 1 +ATOM 8555 C C . GLU C 3 11 ? 40.827 -82.527 -28.074 1.00 68.47 ? 29 GLU C C 1 +ATOM 8556 O O . GLU C 3 11 ? 41.587 -81.987 -27.265 1.00 76.76 ? 29 GLU C O 1 +ATOM 8557 C CB . GLU C 3 11 ? 38.728 -83.694 -27.369 1.00 90.49 ? 29 GLU C CB 1 +ATOM 8558 C CG . GLU C 3 11 ? 37.409 -84.111 -28.003 1.00 123.15 ? 29 GLU C CG 1 +ATOM 8559 C CD . GLU C 3 11 ? 36.317 -83.065 -27.836 1.00 140.25 ? 29 GLU C CD 1 +ATOM 8560 O OE1 . GLU C 3 11 ? 36.245 -82.437 -26.743 1.00 122.66 ? 29 GLU C OE1 1 +ATOM 8561 O OE2 . GLU C 3 11 ? 35.551 -82.866 -28.815 1.00 121.70 ? 29 GLU C OE2 1 +ATOM 8562 N N . SER C 3 12 ? 41.281 -83.233 -29.108 1.00 70.37 ? 30 SER C N 1 +ATOM 8563 C CA . SER C 3 12 ? 42.716 -83.385 -29.302 1.00 69.44 ? 30 SER C CA 1 +ATOM 8564 C C . SER C 3 12 ? 43.369 -82.069 -29.701 1.00 77.81 ? 30 SER C C 1 +ATOM 8565 O O . SER C 3 12 ? 44.461 -81.744 -29.222 1.00 83.52 ? 30 SER C O 1 +ATOM 8566 C CB . SER C 3 12 ? 42.990 -84.455 -30.352 1.00 73.75 ? 30 SER C CB 1 +ATOM 8567 O OG . SER C 3 12 ? 41.952 -84.480 -31.312 1.00 87.42 ? 30 SER C OG 1 +ATOM 8568 N N . SER C 3 13 ? 42.721 -81.294 -30.572 1.00 81.34 ? 31 SER C N 1 +ATOM 8569 C CA . SER C 3 13 ? 43.378 -80.139 -31.172 1.00 73.93 ? 31 SER C CA 1 +ATOM 8570 C C . SER C 3 13 ? 43.094 -78.829 -30.457 1.00 68.46 ? 31 SER C C 1 +ATOM 8571 O O . SER C 3 13 ? 43.896 -77.896 -30.580 1.00 68.32 ? 31 SER C O 1 +ATOM 8572 C CB . SER C 3 13 ? 42.965 -79.995 -32.640 1.00 73.06 ? 31 SER C CB 1 +ATOM 8573 O OG . SER C 3 13 ? 41.650 -79.476 -32.739 1.00 71.84 ? 31 SER C OG 1 +ATOM 8574 N N . GLY C 3 14 ? 41.986 -78.732 -29.719 1.00 63.61 ? 32 GLY C N 1 +ATOM 8575 C CA . GLY C 3 14 ? 41.575 -77.480 -29.128 1.00 53.82 ? 32 GLY C CA 1 +ATOM 8576 C C . GLY C 3 14 ? 40.785 -76.562 -30.043 1.00 65.99 ? 32 GLY C C 1 +ATOM 8577 O O . GLY C 3 14 ? 40.226 -75.569 -29.560 1.00 66.63 ? 32 GLY C O 1 +ATOM 8578 N N . PHE C 3 15 ? 40.694 -76.870 -31.334 1.00 61.45 ? 33 PHE C N 1 +ATOM 8579 C CA . PHE C 3 15 ? 40.003 -76.032 -32.305 1.00 60.51 ? 33 PHE C CA 1 +ATOM 8580 C C . PHE C 3 15 ? 38.703 -76.685 -32.739 1.00 61.73 ? 33 PHE C C 1 +ATOM 8581 O O . PHE C 3 15 ? 38.698 -77.854 -33.138 1.00 63.25 ? 33 PHE C O 1 +ATOM 8582 C CB . PHE C 3 15 ? 40.892 -75.778 -33.523 1.00 49.74 ? 33 PHE C CB 1 +ATOM 8583 C CG . PHE C 3 15 ? 42.004 -74.817 -33.255 1.00 57.66 ? 33 PHE C CG 1 +ATOM 8584 C CD1 . PHE C 3 15 ? 41.738 -73.463 -33.108 1.00 54.09 ? 33 PHE C CD1 1 +ATOM 8585 C CD2 . PHE C 3 15 ? 43.310 -75.262 -33.141 1.00 55.25 ? 33 PHE C CD2 1 +ATOM 8586 C CE1 . PHE C 3 15 ? 42.768 -72.568 -32.857 1.00 68.12 ? 33 PHE C CE1 1 +ATOM 8587 C CE2 . PHE C 3 15 ? 44.336 -74.380 -32.888 1.00 57.05 ? 33 PHE C CE2 1 +ATOM 8588 C CZ . PHE C 3 15 ? 44.073 -73.033 -32.739 1.00 58.65 ? 33 PHE C CZ 1 +ATOM 8589 N N . ALA C 3 16 ? 37.606 -75.932 -32.679 1.00 57.31 ? 34 ALA C N 1 +ATOM 8590 C CA . ALA C 3 16 ? 36.344 -76.461 -33.174 1.00 58.94 ? 34 ALA C CA 1 +ATOM 8591 C C . ALA C 3 16 ? 36.417 -76.685 -34.689 1.00 55.52 ? 34 ALA C C 1 +ATOM 8592 O O . ALA C 3 16 ? 37.362 -76.273 -35.367 1.00 58.59 ? 34 ALA C O 1 +ATOM 8593 C CB . ALA C 3 16 ? 35.188 -75.533 -32.818 1.00 54.63 ? 34 ALA C CB 1 +ATOM 8594 N N . TRP C 3 17 ? 35.386 -77.352 -35.219 1.00 56.06 ? 35 TRP C N 1 +ATOM 8595 C CA . TRP C 3 17 ? 35.349 -77.656 -36.646 1.00 59.10 ? 35 TRP C CA 1 +ATOM 8596 C C . TRP C 3 17 ? 35.329 -76.393 -37.506 1.00 63.29 ? 35 TRP C C 1 +ATOM 8597 O O . TRP C 3 17 ? 35.917 -76.382 -38.598 1.00 58.27 ? 35 TRP C O 1 +ATOM 8598 C CB . TRP C 3 17 ? 34.129 -78.528 -36.975 1.00 60.75 ? 35 TRP C CB 1 +ATOM 8599 C CG . TRP C 3 17 ? 32.812 -77.785 -36.867 1.00 67.21 ? 35 TRP C CG 1 +ATOM 8600 C CD1 . TRP C 3 17 ? 32.000 -77.711 -35.780 1.00 59.69 ? 35 TRP C CD1 1 +ATOM 8601 C CD2 . TRP C 3 17 ? 32.177 -77.003 -37.893 1.00 74.71 ? 35 TRP C CD2 1 +ATOM 8602 N NE1 . TRP C 3 17 ? 30.898 -76.945 -36.058 1.00 64.28 ? 35 TRP C NE1 1 +ATOM 8603 C CE2 . TRP C 3 17 ? 30.983 -76.493 -37.347 1.00 63.48 ? 35 TRP C CE2 1 +ATOM 8604 C CE3 . TRP C 3 17 ? 32.503 -76.690 -39.222 1.00 67.39 ? 35 TRP C CE3 1 +ATOM 8605 C CZ2 . TRP C 3 17 ? 30.107 -75.691 -38.081 1.00 73.93 ? 35 TRP C CZ2 1 +ATOM 8606 C CZ3 . TRP C 3 17 ? 31.636 -75.884 -39.948 1.00 67.43 ? 35 TRP C CZ3 1 +ATOM 8607 C CH2 . TRP C 3 17 ? 30.452 -75.399 -39.377 1.00 84.36 ? 35 TRP C CH2 1 +ATOM 8608 N N A TRP C 3 18 ? 34.658 -75.326 -37.049 0.40 56.25 ? 36 TRP C N 1 +ATOM 8609 N N B TRP C 3 18 ? 34.652 -75.331 -37.049 0.60 56.15 ? 36 TRP C N 1 +ATOM 8610 C CA A TRP C 3 18 ? 34.566 -74.119 -37.868 0.40 61.17 ? 36 TRP C CA 1 +ATOM 8611 C CA B TRP C 3 18 ? 34.566 -74.127 -37.873 0.60 61.24 ? 36 TRP C CA 1 +ATOM 8612 C C A TRP C 3 18 ? 35.877 -73.353 -37.916 0.40 55.54 ? 36 TRP C C 1 +ATOM 8613 C C B TRP C 3 18 ? 35.893 -73.388 -37.952 0.60 55.42 ? 36 TRP C C 1 +ATOM 8614 O O A TRP C 3 18 ? 36.001 -72.415 -38.706 0.40 58.77 ? 36 TRP C O 1 +ATOM 8615 O O B TRP C 3 18 ? 36.047 -72.509 -38.806 0.60 58.83 ? 36 TRP C O 1 +ATOM 8616 C CB A TRP C 3 18 ? 33.432 -73.212 -37.371 0.40 59.10 ? 36 TRP C CB 1 +ATOM 8617 C CB B TRP C 3 18 ? 33.452 -73.204 -37.364 0.60 59.00 ? 36 TRP C CB 1 +ATOM 8618 C CG A TRP C 3 18 ? 33.369 -73.047 -35.884 0.40 60.36 ? 36 TRP C CG 1 +ATOM 8619 C CG B TRP C 3 18 ? 33.400 -73.063 -35.879 0.60 60.29 ? 36 TRP C CG 1 +ATOM 8620 C CD1 A TRP C 3 18 ? 32.539 -73.710 -35.012 0.40 64.48 ? 36 TRP C CD1 1 +ATOM 8621 C CD1 B TRP C 3 18 ? 32.599 -73.754 -35.008 0.60 64.56 ? 36 TRP C CD1 1 +ATOM 8622 C CD2 A TRP C 3 18 ? 34.153 -72.145 -35.086 0.40 59.71 ? 36 TRP C CD2 1 +ATOM 8623 C CD2 B TRP C 3 18 ? 34.178 -72.164 -35.082 0.60 59.62 ? 36 TRP C CD2 1 +ATOM 8624 N NE1 A TRP C 3 18 ? 32.768 -73.279 -33.726 0.40 63.04 ? 36 TRP C NE1 1 +ATOM 8625 N NE1 B TRP C 3 18 ? 32.838 -73.341 -33.716 0.60 63.03 ? 36 TRP C NE1 1 +ATOM 8626 C CE2 A TRP C 3 18 ? 33.751 -72.319 -33.744 0.40 63.38 ? 36 TRP C CE2 1 +ATOM 8627 C CE2 B TRP C 3 18 ? 33.800 -72.362 -33.737 0.60 63.44 ? 36 TRP C CE2 1 +ATOM 8628 C CE3 A TRP C 3 18 ? 35.156 -71.218 -35.375 0.40 59.73 ? 36 TRP C CE3 1 +ATOM 8629 C CE3 B TRP C 3 18 ? 35.154 -71.207 -35.376 0.60 59.73 ? 36 TRP C CE3 1 +ATOM 8630 C CZ2 A TRP C 3 18 ? 34.321 -71.599 -32.695 0.40 59.05 ? 36 TRP C CZ2 1 +ATOM 8631 C CZ2 B TRP C 3 18 ? 34.373 -71.647 -32.693 0.60 58.99 ? 36 TRP C CZ2 1 +ATOM 8632 C CZ3 A TRP C 3 18 ? 35.718 -70.501 -34.334 0.40 61.47 ? 36 TRP C CZ3 1 +ATOM 8633 C CZ3 B TRP C 3 18 ? 35.716 -70.500 -34.342 0.60 61.58 ? 36 TRP C CZ3 1 +ATOM 8634 C CH2 A TRP C 3 18 ? 35.303 -70.700 -33.009 0.40 56.23 ? 36 TRP C CH2 1 +ATOM 8635 C CH2 B TRP C 3 18 ? 35.326 -70.719 -33.017 0.60 56.15 ? 36 TRP C CH2 1 +ATOM 8636 N N . ALA C 3 19 ? 36.855 -73.737 -37.100 1.00 58.49 ? 37 ALA C N 1 +ATOM 8637 C CA . ALA C 3 19 ? 38.232 -73.283 -37.222 1.00 53.00 ? 37 ALA C CA 1 +ATOM 8638 C C . ALA C 3 19 ? 39.144 -74.467 -37.537 1.00 60.18 ? 37 ALA C C 1 +ATOM 8639 O O . ALA C 3 19 ? 40.324 -74.474 -37.173 1.00 56.64 ? 37 ALA C O 1 +ATOM 8640 C CB . ALA C 3 19 ? 38.682 -72.572 -35.950 1.00 51.21 ? 37 ALA C CB 1 +ATOM 8641 N N . GLY C 3 20 ? 38.589 -75.473 -38.228 1.00 58.47 ? 38 GLY C N 1 +ATOM 8642 C CA . GLY C 3 20 ? 39.273 -76.751 -38.392 1.00 65.11 ? 38 GLY C CA 1 +ATOM 8643 C C . GLY C 3 20 ? 40.625 -76.661 -39.075 1.00 65.37 ? 38 GLY C C 1 +ATOM 8644 O O . GLY C 3 20 ? 41.527 -77.447 -38.777 1.00 64.55 ? 38 GLY C O 1 +ATOM 8645 N N . ASN C 3 21 ? 40.796 -75.707 -39.986 1.00 52.92 ? 39 ASN C N 1 +ATOM 8646 C CA . ASN C 3 21 ? 42.078 -75.625 -40.668 1.00 57.01 ? 39 ASN C CA 1 +ATOM 8647 C C . ASN C 3 21 ? 43.188 -75.102 -39.768 1.00 56.35 ? 39 ASN C C 1 +ATOM 8648 O O . ASN C 3 21 ? 44.359 -75.182 -40.153 1.00 60.84 ? 39 ASN C O 1 +ATOM 8649 C CB . ASN C 3 21 ? 41.945 -74.766 -41.928 1.00 51.57 ? 39 ASN C CB 1 +ATOM 8650 C CG . ASN C 3 21 ? 41.168 -75.475 -43.016 1.00 72.49 ? 39 ASN C CG 1 +ATOM 8651 O OD1 . ASN C 3 21 ? 41.204 -76.707 -43.113 1.00 60.12 ? 39 ASN C OD1 1 +ATOM 8652 N ND2 . ASN C 3 21 ? 40.459 -74.711 -43.841 1.00 56.85 ? 39 ASN C ND2 1 +ATOM 8653 N N . ALA C 3 22 ? 42.855 -74.578 -38.588 1.00 53.01 ? 40 ALA C N 1 +ATOM 8654 C CA . ALA C 3 22 ? 43.886 -74.244 -37.610 1.00 57.81 ? 40 ALA C CA 1 +ATOM 8655 C C . ALA C 3 22 ? 44.534 -75.494 -37.013 1.00 66.59 ? 40 ALA C C 1 +ATOM 8656 O O . ALA C 3 22 ? 45.629 -75.398 -36.446 1.00 59.13 ? 40 ALA C O 1 +ATOM 8657 C CB . ALA C 3 22 ? 43.300 -73.372 -36.498 1.00 60.18 ? 40 ALA C CB 1 +ATOM 8658 N N . ARG C 3 23 ? 43.894 -76.662 -37.151 1.00 62.07 ? 41 ARG C N 1 +ATOM 8659 C CA . ARG C 3 23 ? 44.473 -77.922 -36.699 1.00 65.79 ? 41 ARG C CA 1 +ATOM 8660 C C . ARG C 3 23 ? 45.709 -78.315 -37.491 1.00 70.36 ? 41 ARG C C 1 +ATOM 8661 O O . ARG C 3 23 ? 46.402 -79.260 -37.097 1.00 74.08 ? 41 ARG C O 1 +ATOM 8662 C CB . ARG C 3 23 ? 43.437 -79.041 -36.786 1.00 59.05 ? 41 ARG C CB 1 +ATOM 8663 C CG . ARG C 3 23 ? 42.230 -78.822 -35.913 1.00 55.59 ? 41 ARG C CG 1 +ATOM 8664 C CD . ARG C 3 23 ? 41.075 -79.708 -36.309 1.00 57.83 ? 41 ARG C CD 1 +ATOM 8665 N NE . ARG C 3 23 ? 39.937 -79.484 -35.427 1.00 54.67 ? 41 ARG C NE 1 +ATOM 8666 C CZ . ARG C 3 23 ? 38.782 -80.131 -35.515 1.00 72.38 ? 41 ARG C CZ 1 +ATOM 8667 N NH1 . ARG C 3 23 ? 38.575 -81.060 -36.441 1.00 55.32 ? 41 ARG C NH1 1 +ATOM 8668 N NH2 . ARG C 3 23 ? 37.809 -79.844 -34.650 1.00 55.25 ? 41 ARG C NH2 1 +ATOM 8669 N N . LEU C 3 24 ? 46.003 -77.616 -38.581 1.00 62.84 ? 42 LEU C N 1 +ATOM 8670 C CA . LEU C 3 24 ? 47.103 -77.950 -39.474 1.00 64.30 ? 42 LEU C CA 1 +ATOM 8671 C C . LEU C 3 24 ? 48.376 -77.172 -39.173 1.00 62.83 ? 42 LEU C C 1 +ATOM 8672 O O . LEU C 3 24 ? 49.367 -77.331 -39.891 1.00 66.67 ? 42 LEU C O 1 +ATOM 8673 C CB . LEU C 3 24 ? 46.687 -77.680 -40.930 1.00 58.83 ? 42 LEU C CB 1 +ATOM 8674 C CG . LEU C 3 24 ? 45.460 -78.433 -41.456 1.00 73.37 ? 42 LEU C CG 1 +ATOM 8675 C CD1 . LEU C 3 24 ? 44.986 -77.883 -42.820 1.00 64.05 ? 42 LEU C CD1 1 +ATOM 8676 C CD2 . LEU C 3 24 ? 45.767 -79.930 -41.551 1.00 70.70 ? 42 LEU C CD2 1 +ATOM 8677 N N . ILE C 3 25 ? 48.376 -76.330 -38.141 1.00 65.54 ? 43 ILE C N 1 +ATOM 8678 C CA . ILE C 3 25 ? 49.450 -75.351 -37.996 1.00 66.73 ? 43 ILE C CA 1 +ATOM 8679 C C . ILE C 3 25 ? 50.801 -76.041 -37.814 1.00 66.01 ? 43 ILE C C 1 +ATOM 8680 O O . ILE C 3 25 ? 51.814 -75.601 -38.373 1.00 72.28 ? 43 ILE C O 1 +ATOM 8681 C CB . ILE C 3 25 ? 49.126 -74.386 -36.841 1.00 76.61 ? 43 ILE C CB 1 +ATOM 8682 C CG1 . ILE C 3 25 ? 47.930 -73.494 -37.228 1.00 65.56 ? 43 ILE C CG1 1 +ATOM 8683 C CG2 . ILE C 3 25 ? 50.362 -73.564 -36.465 1.00 64.68 ? 43 ILE C CG2 1 +ATOM 8684 C CD1 . ILE C 3 25 ? 47.565 -72.421 -36.178 1.00 72.15 ? 43 ILE C CD1 1 +ATOM 8685 N N . ASN C 3 26 ? 50.839 -77.143 -37.056 1.00 63.70 ? 44 ASN C N 1 +ATOM 8686 C CA . ASN C 3 26 ? 52.076 -77.873 -36.791 1.00 67.38 ? 44 ASN C CA 1 +ATOM 8687 C C . ASN C 3 26 ? 52.076 -79.255 -37.435 1.00 76.47 ? 44 ASN C C 1 +ATOM 8688 O O . ASN C 3 26 ? 52.713 -80.184 -36.938 1.00 71.98 ? 44 ASN C O 1 +ATOM 8689 C CB . ASN C 3 26 ? 52.318 -77.980 -35.290 1.00 62.54 ? 44 ASN C CB 1 +ATOM 8690 C CG . ASN C 3 26 ? 52.439 -76.619 -34.637 1.00 79.05 ? 44 ASN C CG 1 +ATOM 8691 O OD1 . ASN C 3 26 ? 53.232 -75.775 -35.070 1.00 76.19 ? 44 ASN C OD1 1 +ATOM 8692 N ND2 . ASN C 3 26 ? 51.631 -76.385 -33.604 1.00 66.20 ? 44 ASN C ND2 1 +ATOM 8693 N N . LEU C 3 27 ? 51.365 -79.399 -38.544 1.00 74.88 ? 45 LEU C N 1 +ATOM 8694 C CA . LEU C 3 27 ? 51.328 -80.624 -39.315 1.00 61.88 ? 45 LEU C CA 1 +ATOM 8695 C C . LEU C 3 27 ? 51.781 -80.287 -40.733 1.00 71.86 ? 45 LEU C C 1 +ATOM 8696 O O . LEU C 3 27 ? 50.971 -80.252 -41.667 1.00 63.97 ? 45 LEU C O 1 +ATOM 8697 C CB . LEU C 3 27 ? 49.937 -81.230 -39.270 1.00 66.01 ? 45 LEU C CB 1 +ATOM 8698 C CG . LEU C 3 27 ? 49.517 -81.768 -37.899 1.00 68.85 ? 45 LEU C CG 1 +ATOM 8699 C CD1 . LEU C 3 27 ? 48.078 -82.312 -37.917 1.00 62.93 ? 45 LEU C CD1 1 +ATOM 8700 C CD2 . LEU C 3 27 ? 50.491 -82.854 -37.449 1.00 70.51 ? 45 LEU C CD2 1 +ATOM 8701 N N . SER C 3 28 ? 53.088 -80.032 -40.880 1.00 60.72 ? 46 SER C N 1 +ATOM 8702 C CA . SER C 3 28 ? 53.625 -79.491 -42.130 1.00 63.83 ? 46 SER C CA 1 +ATOM 8703 C C . SER C 3 28 ? 53.258 -80.338 -43.344 1.00 65.72 ? 46 SER C C 1 +ATOM 8704 O O . SER C 3 28 ? 53.054 -79.805 -44.438 1.00 73.88 ? 46 SER C O 1 +ATOM 8705 C CB . SER C 3 28 ? 55.146 -79.354 -42.030 1.00 74.16 ? 46 SER C CB 1 +ATOM 8706 O OG . SER C 3 28 ? 55.744 -80.565 -41.591 1.00 71.67 ? 46 SER C OG 1 +ATOM 8707 N N . GLY C 3 29 ? 53.179 -81.658 -43.179 1.00 68.98 ? 47 GLY C N 1 +ATOM 8708 C CA . GLY C 3 29 ? 52.920 -82.515 -44.322 1.00 60.68 ? 47 GLY C CA 1 +ATOM 8709 C C . GLY C 3 29 ? 51.492 -82.406 -44.817 1.00 65.53 ? 47 GLY C C 1 +ATOM 8710 O O . GLY C 3 29 ? 51.242 -82.335 -46.026 1.00 61.14 ? 47 GLY C O 1 +ATOM 8711 N N . LYS C 3 30 ? 50.530 -82.419 -43.895 1.00 57.65 ? 48 LYS C N 1 +ATOM 8712 C CA . LYS C 3 30 ? 49.160 -82.106 -44.282 1.00 66.15 ? 48 LYS C CA 1 +ATOM 8713 C C . LYS C 3 30 ? 49.021 -80.647 -44.708 1.00 71.04 ? 48 LYS C C 1 +ATOM 8714 O O . LYS C 3 30 ? 48.225 -80.339 -45.603 1.00 68.47 ? 48 LYS C O 1 +ATOM 8715 C CB . LYS C 3 30 ? 48.202 -82.419 -43.140 1.00 59.33 ? 48 LYS C CB 1 +ATOM 8716 C CG . LYS C 3 30 ? 47.739 -83.859 -43.130 1.00 72.66 ? 48 LYS C CG 1 +ATOM 8717 C CD . LYS C 3 30 ? 46.767 -84.142 -42.002 1.00 68.23 ? 48 LYS C CD 1 +ATOM 8718 C CE . LYS C 3 30 ? 45.947 -85.374 -42.315 1.00 69.99 ? 48 LYS C CE 1 +ATOM 8719 N NZ . LYS C 3 30 ? 46.804 -86.500 -42.786 1.00 68.40 ? 48 LYS C NZ 1 +ATOM 8720 N N . LEU C 3 31 ? 49.779 -79.740 -44.086 1.00 60.73 ? 49 LEU C N 1 +ATOM 8721 C CA . LEU C 3 31 ? 49.688 -78.338 -44.469 1.00 59.21 ? 49 LEU C CA 1 +ATOM 8722 C C . LEU C 3 31 ? 50.209 -78.137 -45.882 1.00 69.07 ? 49 LEU C C 1 +ATOM 8723 O O . LEU C 3 31 ? 49.672 -77.317 -46.635 1.00 60.18 ? 49 LEU C O 1 +ATOM 8724 C CB . LEU C 3 31 ? 50.449 -77.450 -43.478 1.00 58.36 ? 49 LEU C CB 1 +ATOM 8725 C CG . LEU C 3 31 ? 50.260 -75.937 -43.688 1.00 69.35 ? 49 LEU C CG 1 +ATOM 8726 C CD1 . LEU C 3 31 ? 48.779 -75.585 -43.739 1.00 57.73 ? 49 LEU C CD1 1 +ATOM 8727 C CD2 . LEU C 3 31 ? 50.951 -75.097 -42.622 1.00 59.37 ? 49 LEU C CD2 1 +ATOM 8728 N N . LEU C 3 32 ? 51.249 -78.887 -46.261 1.00 63.77 ? 50 LEU C N 1 +ATOM 8729 C CA . LEU C 3 32 ? 51.705 -78.864 -47.646 1.00 60.56 ? 50 LEU C CA 1 +ATOM 8730 C C . LEU C 3 32 ? 50.589 -79.313 -48.579 1.00 59.98 ? 50 LEU C C 1 +ATOM 8731 O O . LEU C 3 32 ? 50.304 -78.655 -49.585 1.00 57.64 ? 50 LEU C O 1 +ATOM 8732 C CB . LEU C 3 32 ? 52.942 -79.749 -47.808 1.00 70.54 ? 50 LEU C CB 1 +ATOM 8733 C CG . LEU C 3 32 ? 53.508 -79.907 -49.227 1.00 76.81 ? 50 LEU C CG 1 +ATOM 8734 C CD1 . LEU C 3 32 ? 54.013 -78.574 -49.768 1.00 57.78 ? 50 LEU C CD1 1 +ATOM 8735 C CD2 . LEU C 3 32 ? 54.612 -80.973 -49.265 1.00 70.51 ? 50 LEU C CD2 1 +ATOM 8736 N N . GLY C 3 33 ? 49.915 -80.409 -48.229 1.00 55.97 ? 51 GLY C N 1 +ATOM 8737 C CA . GLY C 3 33 ? 48.812 -80.887 -49.049 1.00 66.06 ? 51 GLY C CA 1 +ATOM 8738 C C . GLY C 3 33 ? 47.746 -79.832 -49.276 1.00 71.55 ? 51 GLY C C 1 +ATOM 8739 O O . GLY C 3 33 ? 47.319 -79.600 -50.410 1.00 59.27 ? 51 GLY C O 1 +ATOM 8740 N N . ALA C 3 34 ? 47.318 -79.160 -48.197 1.00 68.58 ? 52 ALA C N 1 +ATOM 8741 C CA . ALA C 3 34 ? 46.285 -78.135 -48.333 1.00 64.12 ? 52 ALA C CA 1 +ATOM 8742 C C . ALA C 3 34 ? 46.735 -77.035 -49.277 1.00 65.42 ? 52 ALA C C 1 +ATOM 8743 O O . ALA C 3 34 ? 45.960 -76.574 -50.122 1.00 63.27 ? 52 ALA C O 1 +ATOM 8744 C CB . ALA C 3 34 ? 45.918 -77.556 -46.965 1.00 63.87 ? 52 ALA C CB 1 +ATOM 8745 N N . HIS C 3 35 ? 48.001 -76.634 -49.181 1.00 52.53 ? 53 HIS C N 1 +ATOM 8746 C CA . HIS C 3 35 ? 48.493 -75.572 -50.044 1.00 49.18 ? 53 HIS C CA 1 +ATOM 8747 C C . HIS C 3 35 ? 48.571 -76.014 -51.499 1.00 64.82 ? 53 HIS C C 1 +ATOM 8748 O O . HIS C 3 35 ? 48.248 -75.237 -52.406 1.00 59.83 ? 53 HIS C O 1 +ATOM 8749 C CB . HIS C 3 35 ? 49.846 -75.094 -49.544 1.00 53.31 ? 53 HIS C CB 1 +ATOM 8750 C CG . HIS C 3 35 ? 49.744 -74.124 -48.410 1.00 66.40 ? 53 HIS C CG 1 +ATOM 8751 N ND1 . HIS C 3 35 ? 50.025 -74.467 -47.104 1.00 71.02 ? 53 HIS C ND1 1 +ATOM 8752 C CD2 . HIS C 3 35 ? 49.346 -72.831 -48.383 1.00 62.47 ? 53 HIS C CD2 1 +ATOM 8753 C CE1 . HIS C 3 35 ? 49.820 -73.421 -46.324 1.00 67.02 ? 53 HIS C CE1 1 +ATOM 8754 N NE2 . HIS C 3 35 ? 49.412 -72.414 -47.075 1.00 64.97 ? 53 HIS C NE2 1 +ATOM 8755 N N . VAL C 3 36 ? 48.997 -77.255 -51.746 1.00 67.28 ? 54 VAL C N 1 +ATOM 8756 C CA . VAL C 3 36 ? 49.135 -77.721 -53.124 1.00 69.30 ? 54 VAL C CA 1 +ATOM 8757 C C . VAL C 3 36 ? 47.765 -77.980 -53.730 1.00 56.16 ? 54 VAL C C 1 +ATOM 8758 O O . VAL C 3 36 ? 47.497 -77.607 -54.879 1.00 60.99 ? 54 VAL C O 1 +ATOM 8759 C CB . VAL C 3 36 ? 50.035 -78.972 -53.180 1.00 76.42 ? 54 VAL C CB 1 +ATOM 8760 C CG1 . VAL C 3 36 ? 50.115 -79.529 -54.617 1.00 62.14 ? 54 VAL C CG1 1 +ATOM 8761 C CG2 . VAL C 3 36 ? 51.433 -78.637 -52.665 1.00 70.62 ? 54 VAL C CG2 1 +ATOM 8762 N N . ALA C 3 37 ? 46.877 -78.620 -52.970 1.00 58.75 ? 55 ALA C N 1 +ATOM 8763 C CA . ALA C 3 37 ? 45.518 -78.824 -53.455 1.00 68.42 ? 55 ALA C CA 1 +ATOM 8764 C C . ALA C 3 37 ? 44.860 -77.489 -53.811 1.00 68.05 ? 55 ALA C C 1 +ATOM 8765 O O . ALA C 3 37 ? 44.152 -77.387 -54.821 1.00 64.54 ? 55 ALA C O 1 +ATOM 8766 C CB . ALA C 3 37 ? 44.697 -79.579 -52.408 1.00 61.27 ? 55 ALA C CB 1 +ATOM 8767 N N . HIS C 3 38 ? 45.113 -76.451 -53.005 1.00 54.68 ? 56 HIS C N 1 +ATOM 8768 C CA . HIS C 3 38 ? 44.495 -75.151 -53.243 1.00 56.77 ? 56 HIS C CA 1 +ATOM 8769 C C . HIS C 3 38 ? 45.068 -74.493 -54.493 1.00 60.35 ? 56 HIS C C 1 +ATOM 8770 O O . HIS C 3 38 ? 44.331 -73.874 -55.272 1.00 58.48 ? 56 HIS C O 1 +ATOM 8771 C CB . HIS C 3 38 ? 44.674 -74.230 -52.018 1.00 48.55 ? 56 HIS C CB 1 +ATOM 8772 C CG . HIS C 3 38 ? 44.110 -72.846 -52.215 1.00 55.15 ? 56 HIS C CG 1 +ATOM 8773 N ND1 . HIS C 3 38 ? 44.844 -71.809 -52.754 1.00 54.00 ? 56 HIS C ND1 1 +ATOM 8774 C CD2 . HIS C 3 38 ? 42.870 -72.346 -51.982 1.00 45.74 ? 56 HIS C CD2 1 +ATOM 8775 C CE1 . HIS C 3 38 ? 44.082 -70.731 -52.845 1.00 58.46 ? 56 HIS C CE1 1 +ATOM 8776 N NE2 . HIS C 3 38 ? 42.879 -71.030 -52.380 1.00 58.47 ? 56 HIS C NE2 1 +ATOM 8777 N N . ALA C 3 39 ? 46.385 -74.581 -54.688 1.00 54.61 ? 57 ALA C N 1 +ATOM 8778 C CA . ALA C 3 39 ? 46.963 -74.024 -55.901 1.00 57.33 ? 57 ALA C CA 1 +ATOM 8779 C C . ALA C 3 39 ? 46.359 -74.703 -57.126 1.00 66.40 ? 57 ALA C C 1 +ATOM 8780 O O . ALA C 3 39 ? 46.119 -74.060 -58.156 1.00 59.01 ? 57 ALA C O 1 +ATOM 8781 C CB . ALA C 3 39 ? 48.485 -74.169 -55.874 1.00 59.47 ? 57 ALA C CB 1 +ATOM 8782 N N . GLY C 3 40 ? 46.066 -76.000 -57.011 1.00 71.26 ? 58 GLY C N 1 +ATOM 8783 C CA . GLY C 3 40 ? 45.367 -76.685 -58.082 1.00 69.54 ? 58 GLY C CA 1 +ATOM 8784 C C . GLY C 3 40 ? 44.018 -76.066 -58.388 1.00 59.80 ? 58 GLY C C 1 +ATOM 8785 O O . GLY C 3 40 ? 43.630 -75.962 -59.554 1.00 59.48 ? 58 GLY C O 1 +ATOM 8786 N N . LEU C 3 41 ? 43.279 -75.657 -57.348 1.00 60.63 ? 59 LEU C N 1 +ATOM 8787 C CA . LEU C 3 41 ? 42.011 -74.966 -57.578 1.00 55.19 ? 59 LEU C CA 1 +ATOM 8788 C C . LEU C 3 41 ? 42.221 -73.666 -58.350 1.00 52.92 ? 59 LEU C C 1 +ATOM 8789 O O . LEU C 3 41 ? 41.451 -73.350 -59.265 1.00 55.95 ? 59 LEU C O 1 +ATOM 8790 C CB . LEU C 3 41 ? 41.305 -74.691 -56.249 1.00 62.33 ? 59 LEU C CB 1 +ATOM 8791 C CG . LEU C 3 41 ? 40.639 -75.876 -55.543 1.00 64.12 ? 59 LEU C CG 1 +ATOM 8792 C CD1 . LEU C 3 41 ? 40.002 -75.488 -54.194 1.00 56.52 ? 59 LEU C CD1 1 +ATOM 8793 C CD2 . LEU C 3 41 ? 39.621 -76.562 -56.458 1.00 57.45 ? 59 LEU C CD2 1 +ATOM 8794 N N . ILE C 3 42 ? 43.274 -72.912 -58.017 1.00 53.80 ? 60 ILE C N 1 +ATOM 8795 C CA . ILE C 3 42 ? 43.554 -71.666 -58.733 1.00 48.44 ? 60 ILE C CA 1 +ATOM 8796 C C . ILE C 3 42 ? 43.819 -71.956 -60.197 1.00 57.58 ? 60 ILE C C 1 +ATOM 8797 O O . ILE C 3 42 ? 43.228 -71.335 -61.095 1.00 58.29 ? 60 ILE C O 1 +ATOM 8798 C CB . ILE C 3 42 ? 44.744 -70.920 -58.102 1.00 53.16 ? 60 ILE C CB 1 +ATOM 8799 C CG1 . ILE C 3 42 ? 44.472 -70.574 -56.638 1.00 55.13 ? 60 ILE C CG1 1 +ATOM 8800 C CG2 . ILE C 3 42 ? 45.045 -69.627 -58.883 1.00 48.38 ? 60 ILE C CG2 1 +ATOM 8801 C CD1 . ILE C 3 42 ? 45.615 -69.784 -56.010 1.00 57.71 ? 60 ILE C CD1 1 +ATOM 8802 N N . VAL C 3 43 ? 44.713 -72.910 -60.458 1.00 57.34 ? 61 VAL C N 1 +ATOM 8803 C CA . VAL C 3 43 ? 45.059 -73.240 -61.829 1.00 53.13 ? 61 VAL C CA 1 +ATOM 8804 C C . VAL C 3 43 ? 43.854 -73.825 -62.562 1.00 55.69 ? 61 VAL C C 1 +ATOM 8805 O O . VAL C 3 43 ? 43.648 -73.553 -63.750 1.00 52.65 ? 61 VAL C O 1 +ATOM 8806 C CB . VAL C 3 43 ? 46.281 -74.175 -61.831 1.00 70.89 ? 61 VAL C CB 1 +ATOM 8807 C CG1 . VAL C 3 43 ? 46.584 -74.673 -63.235 1.00 57.52 ? 61 VAL C CG1 1 +ATOM 8808 C CG2 . VAL C 3 43 ? 47.488 -73.427 -61.272 1.00 61.49 ? 61 VAL C CG2 1 +ATOM 8809 N N . PHE C 3 44 ? 43.023 -74.604 -61.862 1.00 57.98 ? 62 PHE C N 1 +ATOM 8810 C CA . PHE C 3 44 ? 41.817 -75.155 -62.482 1.00 48.81 ? 62 PHE C CA 1 +ATOM 8811 C C . PHE C 3 44 ? 40.926 -74.038 -63.016 1.00 57.14 ? 62 PHE C C 1 +ATOM 8812 O O . PHE C 3 44 ? 40.543 -74.035 -64.196 1.00 56.80 ? 62 PHE C O 1 +ATOM 8813 C CB . PHE C 3 44 ? 41.052 -76.009 -61.468 1.00 51.27 ? 62 PHE C CB 1 +ATOM 8814 C CG . PHE C 3 44 ? 39.857 -76.711 -62.044 1.00 62.83 ? 62 PHE C CG 1 +ATOM 8815 C CD1 . PHE C 3 44 ? 38.673 -76.026 -62.278 1.00 61.32 ? 62 PHE C CD1 1 +ATOM 8816 C CD2 . PHE C 3 44 ? 39.916 -78.068 -62.344 1.00 65.06 ? 62 PHE C CD2 1 +ATOM 8817 C CE1 . PHE C 3 44 ? 37.572 -76.669 -62.825 1.00 71.45 ? 62 PHE C CE1 1 +ATOM 8818 C CE2 . PHE C 3 44 ? 38.821 -78.718 -62.892 1.00 74.04 ? 62 PHE C CE2 1 +ATOM 8819 C CZ . PHE C 3 44 ? 37.645 -78.021 -63.134 1.00 69.80 ? 62 PHE C CZ 1 +ATOM 8820 N N . TRP C 3 45 ? 40.579 -73.079 -62.151 1.00 64.43 ? 63 TRP C N 1 +ATOM 8821 C CA . TRP C 3 45 ? 39.692 -71.995 -62.558 1.00 59.60 ? 63 TRP C CA 1 +ATOM 8822 C C . TRP C 3 45 ? 40.267 -71.232 -63.747 1.00 56.34 ? 63 TRP C C 1 +ATOM 8823 O O . TRP C 3 45 ? 39.561 -70.979 -64.726 1.00 54.94 ? 63 TRP C O 1 +ATOM 8824 C CB . TRP C 3 45 ? 39.426 -71.053 -61.378 1.00 58.27 ? 63 TRP C CB 1 +ATOM 8825 C CG . TRP C 3 45 ? 38.584 -69.866 -61.778 1.00 57.04 ? 63 TRP C CG 1 +ATOM 8826 C CD1 . TRP C 3 45 ? 37.211 -69.790 -61.802 1.00 51.31 ? 63 TRP C CD1 1 +ATOM 8827 C CD2 . TRP C 3 45 ? 39.063 -68.608 -62.252 1.00 51.90 ? 63 TRP C CD2 1 +ATOM 8828 N NE1 . TRP C 3 45 ? 36.817 -68.554 -62.252 1.00 52.24 ? 63 TRP C NE1 1 +ATOM 8829 C CE2 . TRP C 3 45 ? 37.933 -67.808 -62.533 1.00 61.51 ? 63 TRP C CE2 1 +ATOM 8830 C CE3 . TRP C 3 45 ? 40.338 -68.075 -62.458 1.00 51.10 ? 63 TRP C CE3 1 +ATOM 8831 C CZ2 . TRP C 3 45 ? 38.046 -66.490 -63.004 1.00 53.19 ? 63 TRP C CZ2 1 +ATOM 8832 C CZ3 . TRP C 3 45 ? 40.449 -66.776 -62.922 1.00 52.15 ? 63 TRP C CZ3 1 +ATOM 8833 C CH2 . TRP C 3 45 ? 39.308 -66.000 -63.198 1.00 55.75 ? 63 TRP C CH2 1 +ATOM 8834 N N . ALA C 3 46 ? 41.557 -70.883 -63.690 1.00 54.66 ? 64 ALA C N 1 +ATOM 8835 C CA . ALA C 3 46 ? 42.188 -70.184 -64.808 1.00 51.96 ? 64 ALA C CA 1 +ATOM 8836 C C . ALA C 3 46 ? 42.026 -70.958 -66.113 1.00 61.84 ? 64 ALA C C 1 +ATOM 8837 O O . ALA C 3 46 ? 41.678 -70.373 -67.155 1.00 58.06 ? 64 ALA C O 1 +ATOM 8838 C CB . ALA C 3 46 ? 43.670 -69.940 -64.512 1.00 53.06 ? 64 ALA C CB 1 +ATOM 8839 N N . GLY C 3 47 ? 42.259 -72.276 -66.071 1.00 60.36 ? 65 GLY C N 1 +ATOM 8840 C CA . GLY C 3 47 ? 42.131 -73.076 -67.279 1.00 53.02 ? 65 GLY C CA 1 +ATOM 8841 C C . GLY C 3 47 ? 40.689 -73.210 -67.730 1.00 53.30 ? 65 GLY C C 1 +ATOM 8842 O O . GLY C 3 47 ? 40.359 -72.961 -68.891 1.00 51.23 ? 65 GLY C O 1 +ATOM 8843 N N . ALA C 3 48 ? 39.809 -73.581 -66.806 1.00 54.30 ? 66 ALA C N 1 +ATOM 8844 C CA . ALA C 3 48 ? 38.408 -73.789 -67.145 1.00 54.73 ? 66 ALA C CA 1 +ATOM 8845 C C . ALA C 3 48 ? 37.734 -72.495 -67.569 1.00 63.19 ? 66 ALA C C 1 +ATOM 8846 O O . ALA C 3 48 ? 36.927 -72.496 -68.505 1.00 57.90 ? 66 ALA C O 1 +ATOM 8847 C CB . ALA C 3 48 ? 37.668 -74.395 -65.945 1.00 60.06 ? 66 ALA C CB 1 +ATOM 8848 N N . MET C 3 49 ? 38.018 -71.386 -66.868 1.00 56.99 ? 67 MET C N 1 +ATOM 8849 C CA . MET C 3 49 ? 37.346 -70.133 -67.199 1.00 56.01 ? 67 MET C CA 1 +ATOM 8850 C C . MET C 3 49 ? 37.752 -69.658 -68.581 1.00 55.68 ? 67 MET C C 1 +ATOM 8851 O O . MET C 3 49 ? 36.908 -69.184 -69.351 1.00 59.72 ? 67 MET C O 1 +ATOM 8852 C CB . MET C 3 49 ? 37.650 -69.052 -66.147 1.00 52.64 ? 67 MET C CB 1 +ATOM 8853 C CG . MET C 3 49 ? 36.762 -67.818 -66.247 1.00 49.23 ? 67 MET C CG 1 +ATOM 8854 S SD . MET C 3 49 ? 35.101 -68.066 -65.571 1.00 57.62 ? 67 MET C SD 1 +ATOM 8855 C CE . MET C 3 49 ? 34.078 -68.085 -67.028 1.00 52.64 ? 67 MET C CE 1 +ATOM 8856 N N . THR C 3 50 ? 39.041 -69.785 -68.915 1.00 50.51 ? 68 THR C N 1 +ATOM 8857 C CA . THR C 3 50 ? 39.491 -69.438 -70.261 1.00 52.45 ? 68 THR C CA 1 +ATOM 8858 C C . THR C 3 50 ? 38.711 -70.217 -71.313 1.00 67.42 ? 68 THR C C 1 +ATOM 8859 O O . THR C 3 50 ? 38.238 -69.642 -72.304 1.00 54.77 ? 68 THR C O 1 +ATOM 8860 C CB . THR C 3 50 ? 40.988 -69.704 -70.412 1.00 50.99 ? 68 THR C CB 1 +ATOM 8861 O OG1 . THR C 3 50 ? 41.704 -68.942 -69.446 1.00 55.90 ? 68 THR C OG1 1 +ATOM 8862 C CG2 . THR C 3 50 ? 41.466 -69.290 -71.780 1.00 49.25 ? 68 THR C CG2 1 +ATOM 8863 N N . LEU C 3 51 ? 38.563 -71.537 -71.112 1.00 58.99 ? 69 LEU C N 1 +ATOM 8864 C CA . LEU C 3 51 ? 37.842 -72.343 -72.091 1.00 57.39 ? 69 LEU C CA 1 +ATOM 8865 C C . LEU C 3 51 ? 36.399 -71.895 -72.199 1.00 53.66 ? 69 LEU C C 1 +ATOM 8866 O O . LEU C 3 51 ? 35.862 -71.793 -73.303 1.00 57.25 ? 69 LEU C O 1 +ATOM 8867 C CB . LEU C 3 51 ? 37.907 -73.828 -71.727 1.00 57.98 ? 69 LEU C CB 1 +ATOM 8868 C CG . LEU C 3 51 ? 39.291 -74.450 -71.905 1.00 69.50 ? 69 LEU C CG 1 +ATOM 8869 C CD1 . LEU C 3 51 ? 39.225 -75.882 -71.500 1.00 65.93 ? 69 LEU C CD1 1 +ATOM 8870 C CD2 . LEU C 3 51 ? 39.770 -74.307 -73.351 1.00 66.29 ? 69 LEU C CD2 1 +ATOM 8871 N N . PHE C 3 52 ? 35.749 -71.635 -71.056 1.00 59.03 ? 70 PHE C N 1 +ATOM 8872 C CA . PHE C 3 52 ? 34.390 -71.095 -71.076 1.00 60.42 ? 70 PHE C CA 1 +ATOM 8873 C C . PHE C 3 52 ? 34.341 -69.794 -71.874 1.00 55.83 ? 70 PHE C C 1 +ATOM 8874 O O . PHE C 3 52 ? 33.487 -69.615 -72.753 1.00 57.61 ? 70 PHE C O 1 +ATOM 8875 C CB . PHE C 3 52 ? 33.895 -70.901 -69.635 1.00 55.46 ? 70 PHE C CB 1 +ATOM 8876 C CG . PHE C 3 52 ? 32.471 -70.389 -69.514 1.00 57.45 ? 70 PHE C CG 1 +ATOM 8877 C CD1 . PHE C 3 52 ? 32.176 -69.024 -69.703 1.00 57.93 ? 70 PHE C CD1 1 +ATOM 8878 C CD2 . PHE C 3 52 ? 31.442 -71.245 -69.160 1.00 48.27 ? 70 PHE C CD2 1 +ATOM 8879 C CE1 . PHE C 3 52 ? 30.874 -68.547 -69.581 1.00 48.32 ? 70 PHE C CE1 1 +ATOM 8880 C CE2 . PHE C 3 52 ? 30.140 -70.775 -69.025 1.00 57.44 ? 70 PHE C CE2 1 +ATOM 8881 C CZ . PHE C 3 52 ? 29.855 -69.419 -69.235 1.00 58.73 ? 70 PHE C CZ 1 +ATOM 8882 N N . GLU C 3 53 ? 35.277 -68.883 -71.605 1.00 56.18 ? 71 GLU C N 1 +ATOM 8883 C CA . GLU C 3 53 ? 35.287 -67.619 -72.333 1.00 56.99 ? 71 GLU C CA 1 +ATOM 8884 C C . GLU C 3 53 ? 35.422 -67.862 -73.826 1.00 63.14 ? 71 GLU C C 1 +ATOM 8885 O O . GLU C 3 53 ? 34.705 -67.254 -74.630 1.00 53.61 ? 71 GLU C O 1 +ATOM 8886 C CB . GLU C 3 53 ? 36.418 -66.717 -71.831 1.00 46.61 ? 71 GLU C CB 1 +ATOM 8887 C CG . GLU C 3 53 ? 36.161 -66.078 -70.465 1.00 52.40 ? 71 GLU C CG 1 +ATOM 8888 C CD . GLU C 3 53 ? 37.179 -64.997 -70.107 1.00 54.96 ? 71 GLU C CD 1 +ATOM 8889 O OE1 . GLU C 3 53 ? 38.096 -64.714 -70.920 1.00 53.01 ? 71 GLU C OE1 1 +ATOM 8890 O OE2 . GLU C 3 53 ? 37.062 -64.424 -69.005 1.00 49.16 ? 71 GLU C OE2 1 +ATOM 8891 N N . LEU C 3 54 ? 36.312 -68.781 -74.206 1.00 59.92 ? 72 LEU C N 1 +ATOM 8892 C CA . LEU C 3 54 ? 36.562 -69.046 -75.620 1.00 56.15 ? 72 LEU C CA 1 +ATOM 8893 C C . LEU C 3 54 ? 35.333 -69.640 -76.295 1.00 55.38 ? 72 LEU C C 1 +ATOM 8894 O O . LEU C 3 54 ? 34.953 -69.226 -77.395 1.00 55.48 ? 72 LEU C O 1 +ATOM 8895 C CB . LEU C 3 54 ? 37.756 -69.981 -75.774 1.00 55.27 ? 72 LEU C CB 1 +ATOM 8896 C CG . LEU C 3 54 ? 38.083 -70.255 -77.243 1.00 69.24 ? 72 LEU C CG 1 +ATOM 8897 C CD1 . LEU C 3 54 ? 38.325 -68.933 -77.973 1.00 55.16 ? 72 LEU C CD1 1 +ATOM 8898 C CD2 . LEU C 3 54 ? 39.271 -71.201 -77.393 1.00 63.53 ? 72 LEU C CD2 1 +ATOM 8899 N N . ALA C 3 55 ? 34.691 -70.606 -75.637 1.00 55.03 ? 73 ALA C N 1 +ATOM 8900 C CA . ALA C 3 55 ? 33.472 -71.195 -76.173 1.00 52.06 ? 73 ALA C CA 1 +ATOM 8901 C C . ALA C 3 55 ? 32.392 -70.146 -76.415 1.00 55.92 ? 73 ALA C C 1 +ATOM 8902 O O . ALA C 3 55 ? 31.599 -70.276 -77.352 1.00 59.25 ? 73 ALA C O 1 +ATOM 8903 C CB . ALA C 3 55 ? 32.960 -72.282 -75.217 1.00 54.78 ? 73 ALA C CB 1 +ATOM 8904 N N . HIS C 3 56 ? 32.344 -69.105 -75.589 1.00 56.87 ? 74 HIS C N 1 +ATOM 8905 C CA . HIS C 3 56 ? 31.297 -68.094 -75.644 1.00 63.33 ? 74 HIS C CA 1 +ATOM 8906 C C . HIS C 3 56 ? 31.711 -66.871 -76.452 1.00 67.23 ? 74 HIS C C 1 +ATOM 8907 O O . HIS C 3 56 ? 30.975 -65.885 -76.481 1.00 82.62 ? 74 HIS C O 1 +ATOM 8908 C CB . HIS C 3 56 ? 30.899 -67.678 -74.221 1.00 57.83 ? 74 HIS C CB 1 +ATOM 8909 C CG . HIS C 3 56 ? 30.119 -68.728 -73.490 1.00 59.72 ? 74 HIS C CG 1 +ATOM 8910 N ND1 . HIS C 3 56 ? 28.818 -68.537 -73.079 1.00 59.80 ? 74 HIS C ND1 1 +ATOM 8911 C CD2 . HIS C 3 56 ? 30.443 -69.994 -73.134 1.00 53.62 ? 74 HIS C CD2 1 +ATOM 8912 C CE1 . HIS C 3 56 ? 28.376 -69.640 -72.497 1.00 61.01 ? 74 HIS C CE1 1 +ATOM 8913 N NE2 . HIS C 3 56 ? 29.345 -70.537 -72.513 1.00 54.53 ? 74 HIS C NE2 1 +ATOM 8914 N N . PHE C 3 57 ? 32.864 -66.922 -77.112 1.00 57.94 ? 75 PHE C N 1 +ATOM 8915 C CA . PHE C 3 57 ? 33.494 -65.745 -77.704 1.00 61.87 ? 75 PHE C CA 1 +ATOM 8916 C C . PHE C 3 57 ? 33.127 -65.624 -79.181 1.00 61.22 ? 75 PHE C C 1 +ATOM 8917 O O . PHE C 3 57 ? 33.258 -66.587 -79.941 1.00 64.11 ? 75 PHE C O 1 +ATOM 8918 C CB . PHE C 3 57 ? 35.008 -65.854 -77.512 1.00 54.65 ? 75 PHE C CB 1 +ATOM 8919 C CG . PHE C 3 57 ? 35.804 -64.782 -78.177 1.00 57.87 ? 75 PHE C CG 1 +ATOM 8920 C CD1 . PHE C 3 57 ? 35.755 -63.475 -77.732 1.00 57.33 ? 75 PHE C CD1 1 +ATOM 8921 C CD2 . PHE C 3 57 ? 36.646 -65.090 -79.228 1.00 64.54 ? 75 PHE C CD2 1 +ATOM 8922 C CE1 . PHE C 3 57 ? 36.515 -62.487 -78.334 1.00 60.52 ? 75 PHE C CE1 1 +ATOM 8923 C CE2 . PHE C 3 57 ? 37.405 -64.109 -79.840 1.00 72.63 ? 75 PHE C CE2 1 +ATOM 8924 C CZ . PHE C 3 57 ? 37.343 -62.802 -79.385 1.00 67.18 ? 75 PHE C CZ 1 +ATOM 8925 N N . ILE C 3 58 ? 32.638 -64.453 -79.573 1.00 60.02 ? 76 ILE C N 1 +ATOM 8926 C CA . ILE C 3 58 ? 32.379 -64.074 -80.960 1.00 64.73 ? 76 ILE C CA 1 +ATOM 8927 C C . ILE C 3 58 ? 33.446 -63.052 -81.358 1.00 62.61 ? 76 ILE C C 1 +ATOM 8928 O O . ILE C 3 58 ? 33.445 -61.928 -80.834 1.00 59.13 ? 76 ILE C O 1 +ATOM 8929 C CB . ILE C 3 58 ? 30.966 -63.493 -81.142 1.00 67.88 ? 76 ILE C CB 1 +ATOM 8930 C CG1 . ILE C 3 58 ? 29.892 -64.581 -81.085 1.00 75.34 ? 76 ILE C CG1 1 +ATOM 8931 C CG2 . ILE C 3 58 ? 30.852 -62.745 -82.467 1.00 60.22 ? 76 ILE C CG2 1 +ATOM 8932 C CD1 . ILE C 3 58 ? 29.523 -65.043 -79.700 1.00 89.19 ? 76 ILE C CD1 1 +ATOM 8933 N N . PRO C 3 59 ? 34.362 -63.379 -82.268 1.00 62.09 ? 77 PRO C N 1 +ATOM 8934 C CA . PRO C 3 59 ? 35.470 -62.447 -82.573 1.00 61.37 ? 77 PRO C CA 1 +ATOM 8935 C C . PRO C 3 59 ? 35.040 -61.091 -83.129 1.00 61.26 ? 77 PRO C C 1 +ATOM 8936 O O . PRO C 3 59 ? 35.825 -60.137 -83.043 1.00 68.51 ? 77 PRO C O 1 +ATOM 8937 C CB . PRO C 3 59 ? 36.308 -63.210 -83.610 1.00 67.31 ? 77 PRO C CB 1 +ATOM 8938 C CG . PRO C 3 59 ? 35.821 -64.605 -83.565 1.00 73.06 ? 77 PRO C CG 1 +ATOM 8939 C CD . PRO C 3 59 ? 34.409 -64.591 -83.091 1.00 65.72 ? 77 PRO C CD 1 +ATOM 8940 N N . GLU C 3 60 ? 33.834 -60.971 -83.698 1.00 63.73 ? 78 GLU C N 1 +ATOM 8941 C CA . GLU C 3 60 ? 33.374 -59.708 -84.277 1.00 65.16 ? 78 GLU C CA 1 +ATOM 8942 C C . GLU C 3 60 ? 32.835 -58.727 -83.243 1.00 60.66 ? 78 GLU C C 1 +ATOM 8943 O O . GLU C 3 60 ? 32.607 -57.563 -83.579 1.00 67.22 ? 78 GLU C O 1 +ATOM 8944 C CB . GLU C 3 60 ? 32.273 -59.953 -85.314 1.00 60.01 ? 78 GLU C CB 1 +ATOM 8945 C CG . GLU C 3 60 ? 32.741 -60.637 -86.564 1.00 70.98 ? 78 GLU C CG 1 +ATOM 8946 C CD . GLU C 3 60 ? 32.943 -62.126 -86.367 1.00 63.90 ? 78 GLU C CD 1 +ATOM 8947 O OE1 . GLU C 3 60 ? 32.278 -62.707 -85.486 1.00 64.87 ? 78 GLU C OE1 1 +ATOM 8948 O OE2 . GLU C 3 60 ? 33.783 -62.701 -87.093 1.00 93.12 ? 78 GLU C OE2 1 +ATOM 8949 N N . LYS C 3 61 ? 32.537 -59.185 -82.037 1.00 60.02 ? 79 LYS C N 1 +ATOM 8950 C CA . LYS C 3 61 ? 32.134 -58.316 -80.948 1.00 61.08 ? 79 LYS C CA 1 +ATOM 8951 C C . LYS C 3 61 ? 33.365 -57.914 -80.155 1.00 63.11 ? 79 LYS C C 1 +ATOM 8952 O O . LYS C 3 61 ? 34.261 -58.740 -79.947 1.00 55.83 ? 79 LYS C O 1 +ATOM 8953 C CB . LYS C 3 61 ? 31.153 -59.020 -80.017 1.00 59.07 ? 79 LYS C CB 1 +ATOM 8954 C CG . LYS C 3 61 ? 29.762 -59.198 -80.566 1.00 70.62 ? 79 LYS C CG 1 +ATOM 8955 C CD . LYS C 3 61 ? 28.876 -59.934 -79.556 1.00 63.69 ? 79 LYS C CD 1 +ATOM 8956 C CE . LYS C 3 61 ? 28.269 -58.996 -78.553 1.00 58.24 ? 79 LYS C CE 1 +ATOM 8957 N NZ . LYS C 3 61 ? 27.522 -59.798 -77.506 1.00 74.63 ? 79 LYS C NZ 1 +ATOM 8958 N N . PRO C 3 62 ? 33.429 -56.669 -79.697 1.00 56.28 ? 80 PRO C N 1 +ATOM 8959 C CA . PRO C 3 62 ? 34.512 -56.296 -78.784 1.00 52.34 ? 80 PRO C CA 1 +ATOM 8960 C C . PRO C 3 62 ? 34.490 -57.207 -77.573 1.00 56.84 ? 80 PRO C C 1 +ATOM 8961 O O . PRO C 3 62 ? 33.425 -57.600 -77.091 1.00 51.23 ? 80 PRO C O 1 +ATOM 8962 C CB . PRO C 3 62 ? 34.190 -54.843 -78.409 1.00 53.15 ? 80 PRO C CB 1 +ATOM 8963 C CG . PRO C 3 62 ? 33.206 -54.375 -79.449 1.00 51.14 ? 80 PRO C CG 1 +ATOM 8964 C CD . PRO C 3 62 ? 32.431 -55.599 -79.845 1.00 56.13 ? 80 PRO C CD 1 +ATOM 8965 N N . MET C 3 63 ? 35.689 -57.577 -77.115 1.00 50.02 ? 81 MET C N 1 +ATOM 8966 C CA . MET C 3 63 ? 35.817 -58.343 -75.886 1.00 49.74 ? 81 MET C CA 1 +ATOM 8967 C C . MET C 3 63 ? 34.958 -57.766 -74.775 1.00 56.38 ? 81 MET C C 1 +ATOM 8968 O O . MET C 3 63 ? 34.312 -58.515 -74.030 1.00 52.47 ? 81 MET C O 1 +ATOM 8969 C CB . MET C 3 63 ? 37.277 -58.390 -75.450 1.00 49.65 ? 81 MET C CB 1 +ATOM 8970 C CG . MET C 3 63 ? 38.162 -59.170 -76.385 1.00 59.31 ? 81 MET C CG 1 +ATOM 8971 S SD . MET C 3 63 ? 39.857 -59.200 -75.830 1.00 60.53 ? 81 MET C SD 1 +ATOM 8972 C CE . MET C 3 63 ? 40.723 -59.873 -77.241 1.00 65.41 ? 81 MET C CE 1 +ATOM 8973 N N . TYR C 3 64 ? 34.935 -56.428 -74.642 1.00 55.21 ? 82 TYR C N 1 +ATOM 8974 C CA . TYR C 3 64 ? 34.304 -55.862 -73.463 1.00 55.01 ? 82 TYR C CA 1 +ATOM 8975 C C . TYR C 3 64 ? 32.788 -55.963 -73.508 1.00 53.70 ? 82 TYR C C 1 +ATOM 8976 O O . TYR C 3 64 ? 32.146 -55.769 -72.471 1.00 54.67 ? 82 TYR C O 1 +ATOM 8977 C CB . TYR C 3 64 ? 34.765 -54.417 -73.251 1.00 50.54 ? 82 TYR C CB 1 +ATOM 8978 C CG . TYR C 3 64 ? 34.773 -53.512 -74.480 1.00 56.83 ? 82 TYR C CG 1 +ATOM 8979 C CD1 . TYR C 3 64 ? 33.618 -52.862 -74.897 1.00 41.83 ? 82 TYR C CD1 1 +ATOM 8980 C CD2 . TYR C 3 64 ? 35.950 -53.275 -75.184 1.00 47.41 ? 82 TYR C CD2 1 +ATOM 8981 C CE1 . TYR C 3 64 ? 33.624 -52.027 -75.989 1.00 48.44 ? 82 TYR C CE1 1 +ATOM 8982 C CE2 . TYR C 3 64 ? 35.970 -52.434 -76.275 1.00 48.75 ? 82 TYR C CE2 1 +ATOM 8983 C CZ . TYR C 3 64 ? 34.800 -51.808 -76.672 1.00 50.62 ? 82 TYR C CZ 1 +ATOM 8984 O OH . TYR C 3 64 ? 34.799 -50.967 -77.764 1.00 52.43 ? 82 TYR C OH 1 +ATOM 8985 N N . GLU C 3 65 ? 32.207 -56.313 -74.653 1.00 49.93 ? 83 GLU C N 1 +ATOM 8986 C CA . GLU C 3 65 ? 30.778 -56.586 -74.740 1.00 51.18 ? 83 GLU C CA 1 +ATOM 8987 C C . GLU C 3 65 ? 30.417 -58.027 -74.411 1.00 52.08 ? 83 GLU C C 1 +ATOM 8988 O O . GLU C 3 65 ? 29.238 -58.383 -74.494 1.00 57.40 ? 83 GLU C O 1 +ATOM 8989 C CB . GLU C 3 65 ? 30.253 -56.256 -76.139 1.00 45.76 ? 83 GLU C CB 1 +ATOM 8990 C CG . GLU C 3 65 ? 30.088 -54.769 -76.392 1.00 54.46 ? 83 GLU C CG 1 +ATOM 8991 C CD . GLU C 3 65 ? 29.466 -54.467 -77.745 1.00 51.96 ? 83 GLU C CD 1 +ATOM 8992 O OE1 . GLU C 3 65 ? 29.071 -55.409 -78.450 1.00 56.95 ? 83 GLU C OE1 1 +ATOM 8993 O OE2 . GLU C 3 65 ? 29.366 -53.285 -78.101 1.00 58.13 ? 83 GLU C OE2 1 +ATOM 8994 N N . GLN C 3 66 ? 31.390 -58.866 -74.046 1.00 50.18 ? 84 GLN C N 1 +ATOM 8995 C CA . GLN C 3 66 ? 31.145 -60.299 -73.919 1.00 55.12 ? 84 GLN C CA 1 +ATOM 8996 C C . GLN C 3 66 ? 31.484 -60.852 -72.541 1.00 61.04 ? 84 GLN C C 1 +ATOM 8997 O O . GLN C 3 66 ? 31.475 -62.078 -72.361 1.00 55.73 ? 84 GLN C O 1 +ATOM 8998 C CB . GLN C 3 66 ? 31.924 -61.059 -74.992 1.00 53.37 ? 84 GLN C CB 1 +ATOM 8999 C CG . GLN C 3 66 ? 31.621 -60.601 -76.404 1.00 55.00 ? 84 GLN C CG 1 +ATOM 9000 C CD . GLN C 3 66 ? 32.392 -61.394 -77.450 1.00 64.04 ? 84 GLN C CD 1 +ATOM 9001 O OE1 . GLN C 3 66 ? 32.189 -62.599 -77.599 1.00 55.20 ? 84 GLN C OE1 1 +ATOM 9002 N NE2 . GLN C 3 66 ? 33.303 -60.720 -78.160 1.00 53.90 ? 84 GLN C NE2 1 +ATOM 9003 N N . GLY C 3 67 ? 31.785 -59.997 -71.569 1.00 52.03 ? 85 GLY C N 1 +ATOM 9004 C CA . GLY C 3 67 ? 31.965 -60.480 -70.207 1.00 48.45 ? 85 GLY C CA 1 +ATOM 9005 C C . GLY C 3 67 ? 33.269 -61.209 -69.993 1.00 45.87 ? 85 GLY C C 1 +ATOM 9006 O O . GLY C 3 67 ? 33.323 -62.165 -69.202 1.00 52.47 ? 85 GLY C O 1 +ATOM 9007 N N . LEU C 3 68 ? 34.316 -60.789 -70.687 1.00 50.27 ? 86 LEU C N 1 +ATOM 9008 C CA . LEU C 3 68 ? 35.587 -61.494 -70.720 1.00 51.97 ? 86 LEU C CA 1 +ATOM 9009 C C . LEU C 3 68 ? 36.562 -60.781 -69.804 1.00 54.50 ? 86 LEU C C 1 +ATOM 9010 O O . LEU C 3 68 ? 36.721 -59.562 -69.901 1.00 59.87 ? 86 LEU C O 1 +ATOM 9011 C CB . LEU C 3 68 ? 36.143 -61.533 -72.149 1.00 45.79 ? 86 LEU C CB 1 +ATOM 9012 C CG . LEU C 3 68 ? 35.207 -62.123 -73.213 1.00 52.51 ? 86 LEU C CG 1 +ATOM 9013 C CD1 . LEU C 3 68 ? 35.911 -62.141 -74.544 1.00 52.88 ? 86 LEU C CD1 1 +ATOM 9014 C CD2 . LEU C 3 68 ? 34.739 -63.532 -72.826 1.00 50.75 ? 86 LEU C CD2 1 +ATOM 9015 N N . ILE C 3 69 ? 37.211 -61.528 -68.916 1.00 54.40 ? 87 ILE C N 1 +ATOM 9016 C CA . ILE C 3 69 ? 38.273 -60.945 -68.101 1.00 53.20 ? 87 ILE C CA 1 +ATOM 9017 C C . ILE C 3 69 ? 39.591 -61.670 -68.353 1.00 59.23 ? 87 ILE C C 1 +ATOM 9018 O O . ILE C 3 69 ? 40.659 -61.074 -68.183 1.00 55.32 ? 87 ILE C O 1 +ATOM 9019 C CB . ILE C 3 69 ? 37.917 -60.935 -66.599 1.00 53.82 ? 87 ILE C CB 1 +ATOM 9020 C CG1 . ILE C 3 69 ? 37.614 -62.344 -66.087 1.00 52.56 ? 87 ILE C CG1 1 +ATOM 9021 C CG2 . ILE C 3 69 ? 36.711 -60.029 -66.329 1.00 50.01 ? 87 ILE C CG2 1 +ATOM 9022 C CD1 . ILE C 3 69 ? 37.288 -62.379 -64.553 1.00 52.21 ? 87 ILE C CD1 1 +ATOM 9023 N N . LEU C 3 70 ? 39.546 -62.940 -68.785 1.00 50.09 ? 88 LEU C N 1 +ATOM 9024 C CA . LEU C 3 70 ? 40.805 -63.667 -68.960 1.00 57.72 ? 88 LEU C CA 1 +ATOM 9025 C C . LEU C 3 70 ? 41.422 -63.509 -70.356 1.00 59.14 ? 88 LEU C C 1 +ATOM 9026 O O . LEU C 3 70 ? 42.625 -63.256 -70.482 1.00 54.97 ? 88 LEU C O 1 +ATOM 9027 C CB . LEU C 3 70 ? 40.609 -65.144 -68.627 1.00 61.38 ? 88 LEU C CB 1 +ATOM 9028 C CG . LEU C 3 70 ? 40.278 -65.443 -67.159 1.00 56.72 ? 88 LEU C CG 1 +ATOM 9029 C CD1 . LEU C 3 70 ? 40.472 -66.919 -66.876 1.00 57.93 ? 88 LEU C CD1 1 +ATOM 9030 C CD2 . LEU C 3 70 ? 41.121 -64.595 -66.198 1.00 55.42 ? 88 LEU C CD2 1 +ATOM 9031 N N . ILE C 3 71 ? 40.635 -63.667 -71.411 1.00 46.85 ? 89 ILE C N 1 +ATOM 9032 C CA . ILE C 3 71 ? 41.140 -63.452 -72.765 1.00 46.65 ? 89 ILE C CA 1 +ATOM 9033 C C . ILE C 3 71 ? 41.780 -62.064 -72.913 1.00 59.17 ? 89 ILE C C 1 +ATOM 9034 O O . ILE C 3 71 ? 42.874 -61.968 -73.498 1.00 55.85 ? 89 ILE C O 1 +ATOM 9035 C CB . ILE C 3 71 ? 40.023 -63.717 -73.799 1.00 50.16 ? 89 ILE C CB 1 +ATOM 9036 C CG1 . ILE C 3 71 ? 39.756 -65.228 -73.880 1.00 60.49 ? 89 ILE C CG1 1 +ATOM 9037 C CG2 . ILE C 3 71 ? 40.395 -63.199 -75.175 1.00 48.30 ? 89 ILE C CG2 1 +ATOM 9038 C CD1 . ILE C 3 71 ? 38.740 -65.651 -74.940 1.00 55.70 ? 89 ILE C CD1 1 +ATOM 9039 N N . PRO C 3 72 ? 41.179 -60.961 -72.394 1.00 56.53 ? 90 PRO C N 1 +ATOM 9040 C CA . PRO C 3 72 ? 41.905 -59.664 -72.400 1.00 57.36 ? 90 PRO C CA 1 +ATOM 9041 C C . PRO C 3 72 ? 43.295 -59.720 -71.783 1.00 52.65 ? 90 PRO C C 1 +ATOM 9042 O O . PRO C 3 72 ? 44.200 -59.024 -72.265 1.00 57.16 ? 90 PRO C O 1 +ATOM 9043 C CB . PRO C 3 72 ? 40.994 -58.733 -71.586 1.00 53.05 ? 90 PRO C CB 1 +ATOM 9044 C CG . PRO C 3 72 ? 39.642 -59.312 -71.708 1.00 60.94 ? 90 PRO C CG 1 +ATOM 9045 C CD . PRO C 3 72 ? 39.796 -60.812 -71.899 1.00 53.28 ? 90 PRO C CD 1 +ATOM 9046 N N . HIS C 3 73 ? 43.490 -60.514 -70.725 1.00 51.61 ? 91 HIS C N 1 +ATOM 9047 C CA . HIS C 3 73 ? 44.822 -60.654 -70.139 1.00 54.46 ? 91 HIS C CA 1 +ATOM 9048 C C . HIS C 3 73 ? 45.789 -61.314 -71.116 1.00 54.42 ? 91 HIS C C 1 +ATOM 9049 O O . HIS C 3 73 ? 46.949 -60.900 -71.223 1.00 54.15 ? 91 HIS C O 1 +ATOM 9050 C CB . HIS C 3 73 ? 44.754 -61.456 -68.834 1.00 51.39 ? 91 HIS C CB 1 +ATOM 9051 C CG . HIS C 3 73 ? 44.350 -60.638 -67.641 1.00 66.60 ? 91 HIS C CG 1 +ATOM 9052 N ND1 . HIS C 3 73 ? 43.032 -60.409 -67.301 1.00 49.93 ? 91 HIS C ND1 1 +ATOM 9053 C CD2 . HIS C 3 73 ? 45.095 -59.982 -66.718 1.00 52.51 ? 91 HIS C CD2 1 +ATOM 9054 C CE1 . HIS C 3 73 ? 42.984 -59.652 -66.219 1.00 55.28 ? 91 HIS C CE1 1 +ATOM 9055 N NE2 . HIS C 3 73 ? 44.223 -59.376 -65.847 1.00 56.29 ? 91 HIS C NE2 1 +ATOM 9056 N N . ILE C 3 74 ? 45.330 -62.342 -71.835 1.00 53.00 ? 92 ILE C N 1 +ATOM 9057 C CA . ILE C 3 74 ? 46.183 -63.025 -72.804 1.00 61.27 ? 92 ILE C CA 1 +ATOM 9058 C C . ILE C 3 74 ? 46.458 -62.125 -74.004 1.00 64.54 ? 92 ILE C C 1 +ATOM 9059 O O . ILE C 3 74 ? 47.588 -62.065 -74.507 1.00 56.21 ? 92 ILE C O 1 +ATOM 9060 C CB . ILE C 3 74 ? 45.537 -64.352 -73.247 1.00 68.50 ? 92 ILE C CB 1 +ATOM 9061 C CG1 . ILE C 3 74 ? 45.148 -65.218 -72.055 1.00 58.85 ? 92 ILE C CG1 1 +ATOM 9062 C CG2 . ILE C 3 74 ? 46.458 -65.140 -74.185 1.00 67.34 ? 92 ILE C CG2 1 +ATOM 9063 C CD1 . ILE C 3 74 ? 44.199 -66.340 -72.471 1.00 49.87 ? 92 ILE C CD1 1 +ATOM 9064 N N . ALA C 3 75 ? 45.430 -61.412 -74.484 1.00 56.27 ? 93 ALA C N 1 +ATOM 9065 C CA . ALA C 3 75 ? 45.600 -60.576 -75.669 1.00 46.91 ? 93 ALA C CA 1 +ATOM 9066 C C . ALA C 3 75 ? 46.581 -59.441 -75.405 1.00 56.57 ? 93 ALA C C 1 +ATOM 9067 O O . ALA C 3 75 ? 47.367 -59.069 -76.282 1.00 60.92 ? 93 ALA C O 1 +ATOM 9068 C CB . ALA C 3 75 ? 44.251 -60.029 -76.115 1.00 54.17 ? 93 ALA C CB 1 +ATOM 9069 N N . THR C 3 76 ? 46.554 -58.890 -74.189 1.00 61.94 ? 94 THR C N 1 +ATOM 9070 C CA . THR C 3 76 ? 47.464 -57.816 -73.807 1.00 60.82 ? 94 THR C CA 1 +ATOM 9071 C C . THR C 3 76 ? 48.914 -58.255 -73.921 1.00 50.81 ? 94 THR C C 1 +ATOM 9072 O O . THR C 3 76 ? 49.792 -57.438 -74.217 1.00 56.98 ? 94 THR C O 1 +ATOM 9073 C CB . THR C 3 76 ? 47.129 -57.369 -72.370 1.00 67.89 ? 94 THR C CB 1 +ATOM 9074 O OG1 . THR C 3 76 ? 45.828 -56.768 -72.357 1.00 57.57 ? 94 THR C OG1 1 +ATOM 9075 C CG2 . THR C 3 76 ? 48.169 -56.381 -71.802 1.00 57.00 ? 94 THR C CG2 1 +ATOM 9076 N N . LEU C 3 77 ? 49.184 -59.537 -73.688 1.00 58.36 ? 95 LEU C N 1 +ATOM 9077 C CA . LEU C 3 77 ? 50.533 -60.073 -73.791 1.00 60.40 ? 95 LEU C CA 1 +ATOM 9078 C C . LEU C 3 77 ? 50.982 -60.318 -75.235 1.00 72.97 ? 95 LEU C C 1 +ATOM 9079 O O . LEU C 3 77 ? 52.116 -60.764 -75.445 1.00 66.09 ? 95 LEU C O 1 +ATOM 9080 C CB . LEU C 3 77 ? 50.627 -61.365 -72.984 1.00 61.97 ? 95 LEU C CB 1 +ATOM 9081 C CG . LEU C 3 77 ? 50.511 -61.220 -71.463 1.00 71.93 ? 95 LEU C CG 1 +ATOM 9082 C CD1 . LEU C 3 77 ? 50.413 -62.587 -70.791 1.00 63.38 ? 95 LEU C CD1 1 +ATOM 9083 C CD2 . LEU C 3 77 ? 51.701 -60.455 -70.936 1.00 58.54 ? 95 LEU C CD2 1 +ATOM 9084 N N . GLY C 3 78 ? 50.138 -60.041 -76.231 1.00 61.28 ? 96 GLY C N 1 +ATOM 9085 C CA . GLY C 3 78 ? 50.523 -60.166 -77.620 1.00 58.48 ? 96 GLY C CA 1 +ATOM 9086 C C . GLY C 3 78 ? 50.032 -61.409 -78.336 1.00 57.98 ? 96 GLY C C 1 +ATOM 9087 O O . GLY C 3 78 ? 50.366 -61.589 -79.504 1.00 70.67 ? 96 GLY C O 1 +ATOM 9088 N N . TRP C 3 79 ? 49.244 -62.255 -77.694 1.00 57.57 ? 97 TRP C N 1 +ATOM 9089 C CA . TRP C 3 79 ? 48.803 -63.506 -78.294 1.00 57.98 ? 97 TRP C CA 1 +ATOM 9090 C C . TRP C 3 79 ? 47.410 -63.343 -78.882 1.00 69.86 ? 97 TRP C C 1 +ATOM 9091 O O . TRP C 3 79 ? 46.481 -62.917 -78.185 1.00 62.89 ? 97 TRP C O 1 +ATOM 9092 C CB . TRP C 3 79 ? 48.799 -64.645 -77.271 1.00 58.41 ? 97 TRP C CB 1 +ATOM 9093 C CG . TRP C 3 79 ? 50.143 -65.264 -77.044 1.00 74.13 ? 97 TRP C CG 1 +ATOM 9094 C CD1 . TRP C 3 79 ? 51.008 -65.725 -78.002 1.00 76.59 ? 97 TRP C CD1 1 +ATOM 9095 C CD2 . TRP C 3 79 ? 50.774 -65.513 -75.782 1.00 73.59 ? 97 TRP C CD2 1 +ATOM 9096 N NE1 . TRP C 3 79 ? 52.139 -66.238 -77.413 1.00 62.14 ? 97 TRP C NE1 1 +ATOM 9097 C CE2 . TRP C 3 79 ? 52.021 -66.123 -76.052 1.00 75.21 ? 97 TRP C CE2 1 +ATOM 9098 C CE3 . TRP C 3 79 ? 50.407 -65.281 -74.451 1.00 69.75 ? 97 TRP C CE3 1 +ATOM 9099 C CZ2 . TRP C 3 79 ? 52.902 -66.500 -75.043 1.00 67.85 ? 97 TRP C CZ2 1 +ATOM 9100 C CZ3 . TRP C 3 79 ? 51.278 -65.660 -73.451 1.00 75.81 ? 97 TRP C CZ3 1 +ATOM 9101 C CH2 . TRP C 3 79 ? 52.514 -66.268 -73.751 1.00 79.64 ? 97 TRP C CH2 1 +ATOM 9102 N N . GLY C 3 80 ? 47.277 -63.670 -80.170 1.00 70.03 ? 98 GLY C N 1 +ATOM 9103 C CA . GLY C 3 80 ? 45.992 -63.791 -80.825 1.00 58.81 ? 98 GLY C CA 1 +ATOM 9104 C C . GLY C 3 80 ? 45.449 -62.532 -81.449 1.00 58.91 ? 98 GLY C C 1 +ATOM 9105 O O . GLY C 3 80 ? 44.364 -62.575 -82.044 1.00 64.86 ? 98 GLY C O 1 +ATOM 9106 N N . VAL C 3 81 ? 46.162 -61.415 -81.354 1.00 61.26 ? 99 VAL C N 1 +ATOM 9107 C CA . VAL C 3 81 ? 45.637 -60.130 -81.798 1.00 66.42 ? 99 VAL C CA 1 +ATOM 9108 C C . VAL C 3 81 ? 46.617 -59.483 -82.771 1.00 63.29 ? 99 VAL C C 1 +ATOM 9109 O O . VAL C 3 81 ? 47.810 -59.785 -82.792 1.00 60.36 ? 99 VAL C O 1 +ATOM 9110 C CB . VAL C 3 81 ? 45.338 -59.180 -80.595 1.00 65.70 ? 99 VAL C CB 1 +ATOM 9111 C CG1 . VAL C 3 81 ? 44.188 -59.735 -79.742 1.00 58.32 ? 99 VAL C CG1 1 +ATOM 9112 C CG2 . VAL C 3 81 ? 46.584 -58.970 -79.730 1.00 53.34 ? 99 VAL C CG2 1 +ATOM 9113 N N . GLY C 3 82 ? 46.091 -58.575 -83.580 1.00 65.02 ? 100 GLY C N 1 +ATOM 9114 C CA . GLY C 3 82 ? 46.888 -57.814 -84.507 1.00 68.77 ? 100 GLY C CA 1 +ATOM 9115 C C . GLY C 3 82 ? 46.498 -56.357 -84.426 1.00 72.96 ? 100 GLY C C 1 +ATOM 9116 O O . GLY C 3 82 ? 45.929 -55.913 -83.425 1.00 63.85 ? 100 GLY C O 1 +ATOM 9117 N N . PRO C 3 83 ? 46.766 -55.597 -85.492 1.00 69.54 ? 101 PRO C N 1 +ATOM 9118 C CA . PRO C 3 83 ? 46.515 -54.148 -85.471 1.00 61.15 ? 101 PRO C CA 1 +ATOM 9119 C C . PRO C 3 83 ? 45.126 -53.784 -84.955 1.00 62.42 ? 101 PRO C C 1 +ATOM 9120 O O . PRO C 3 83 ? 44.129 -54.431 -85.278 1.00 65.33 ? 101 PRO C O 1 +ATOM 9121 C CB . PRO C 3 83 ? 46.689 -53.745 -86.940 1.00 58.38 ? 101 PRO C CB 1 +ATOM 9122 C CG . PRO C 3 83 ? 47.613 -54.768 -87.502 1.00 59.76 ? 101 PRO C CG 1 +ATOM 9123 C CD . PRO C 3 83 ? 47.257 -56.056 -86.803 1.00 62.42 ? 101 PRO C CD 1 +ATOM 9124 N N . GLY C 3 84 ? 45.069 -52.737 -84.131 1.00 64.48 ? 102 GLY C N 1 +ATOM 9125 C CA . GLY C 3 84 ? 43.811 -52.288 -83.571 1.00 60.74 ? 102 GLY C CA 1 +ATOM 9126 C C . GLY C 3 84 ? 43.217 -53.215 -82.541 1.00 71.82 ? 102 GLY C C 1 +ATOM 9127 O O . GLY C 3 84 ? 42.089 -52.981 -82.091 1.00 69.73 ? 102 GLY C O 1 +ATOM 9128 N N . GLY C 3 85 ? 43.945 -54.262 -82.152 1.00 66.65 ? 103 GLY C N 1 +ATOM 9129 C CA . GLY C 3 85 ? 43.446 -55.262 -81.241 1.00 61.89 ? 103 GLY C CA 1 +ATOM 9130 C C . GLY C 3 85 ? 42.480 -56.261 -81.837 1.00 72.85 ? 103 GLY C C 1 +ATOM 9131 O O . GLY C 3 85 ? 41.805 -56.965 -81.075 1.00 72.59 ? 103 GLY C O 1 +ATOM 9132 N N . GLU C 3 86 ? 42.387 -56.355 -83.162 1.00 64.26 ? 104 GLU C N 1 +ATOM 9133 C CA . GLU C 3 86 ? 41.526 -57.356 -83.779 1.00 71.18 ? 104 GLU C CA 1 +ATOM 9134 C C . GLU C 3 86 ? 42.056 -58.763 -83.531 1.00 61.22 ? 104 GLU C C 1 +ATOM 9135 O O . GLU C 3 86 ? 43.262 -59.013 -83.613 1.00 68.79 ? 104 GLU C O 1 +ATOM 9136 C CB . GLU C 3 86 ? 41.418 -57.109 -85.280 1.00 64.53 ? 104 GLU C CB 1 +ATOM 9137 C CG . GLU C 3 86 ? 40.462 -58.065 -85.941 1.00 104.08 ? 104 GLU C CG 1 +ATOM 9138 C CD . GLU C 3 86 ? 39.952 -57.569 -87.271 1.00 95.87 ? 104 GLU C CD 1 +ATOM 9139 O OE1 . GLU C 3 86 ? 39.779 -56.342 -87.426 1.00 105.36 ? 104 GLU C OE1 1 +ATOM 9140 O OE2 . GLU C 3 86 ? 39.725 -58.417 -88.162 1.00 126.10 ? 104 GLU C OE2 1 +ATOM 9141 N N . VAL C 3 87 ? 41.149 -59.692 -83.236 1.00 68.87 ? 105 VAL C N 1 +ATOM 9142 C CA . VAL C 3 87 ? 41.548 -61.076 -82.987 1.00 75.41 ? 105 VAL C CA 1 +ATOM 9143 C C . VAL C 3 87 ? 41.868 -61.737 -84.318 1.00 80.01 ? 105 VAL C C 1 +ATOM 9144 O O . VAL C 3 87 ? 41.011 -61.807 -85.206 1.00 75.63 ? 105 VAL C O 1 +ATOM 9145 C CB . VAL C 3 87 ? 40.459 -61.853 -82.236 1.00 73.32 ? 105 VAL C CB 1 +ATOM 9146 C CG1 . VAL C 3 87 ? 40.863 -63.326 -82.129 1.00 54.55 ? 105 VAL C CG1 1 +ATOM 9147 C CG2 . VAL C 3 87 ? 40.234 -61.251 -80.842 1.00 69.87 ? 105 VAL C CG2 1 +ATOM 9148 N N . VAL C 3 88 ? 43.107 -62.205 -84.465 1.00 62.25 ? 106 VAL C N 1 +ATOM 9149 C CA . VAL C 3 88 ? 43.508 -62.872 -85.696 1.00 82.35 ? 106 VAL C CA 1 +ATOM 9150 C C . VAL C 3 88 ? 43.580 -64.385 -85.528 1.00 63.27 ? 106 VAL C C 1 +ATOM 9151 O O . VAL C 3 88 ? 43.483 -65.109 -86.528 1.00 74.01 ? 106 VAL C O 1 +ATOM 9152 C CB . VAL C 3 88 ? 44.860 -62.347 -86.220 1.00 64.70 ? 106 VAL C CB 1 +ATOM 9153 C CG1 . VAL C 3 88 ? 44.805 -60.859 -86.415 1.00 58.05 ? 106 VAL C CG1 1 +ATOM 9154 C CG2 . VAL C 3 88 ? 45.991 -62.743 -85.277 1.00 64.31 ? 106 VAL C CG2 1 +ATOM 9155 N N . ASP C 3 89 ? 43.706 -64.882 -84.301 1.00 67.54 ? 107 ASP C N 1 +ATOM 9156 C CA . ASP C 3 89 ? 43.923 -66.309 -84.077 1.00 67.89 ? 107 ASP C CA 1 +ATOM 9157 C C . ASP C 3 89 ? 43.506 -66.622 -82.644 1.00 70.39 ? 107 ASP C C 1 +ATOM 9158 O O . ASP C 3 89 ? 44.152 -66.159 -81.700 1.00 72.99 ? 107 ASP C O 1 +ATOM 9159 C CB . ASP C 3 89 ? 45.386 -66.653 -84.336 1.00 63.16 ? 107 ASP C CB 1 +ATOM 9160 C CG . ASP C 3 89 ? 45.716 -68.109 -84.069 1.00 79.02 ? 107 ASP C CG 1 +ATOM 9161 O OD1 . ASP C 3 89 ? 44.792 -68.947 -83.932 1.00 72.92 ? 107 ASP C OD1 1 +ATOM 9162 O OD2 . ASP C 3 89 ? 46.923 -68.412 -83.995 1.00 82.65 ? 107 ASP C OD2 1 +ATOM 9163 N N . THR C 3 90 ? 42.431 -67.390 -82.477 1.00 61.61 ? 108 THR C N 1 +ATOM 9164 C CA . THR C 3 90 ? 41.995 -67.770 -81.139 1.00 60.77 ? 108 THR C CA 1 +ATOM 9165 C C . THR C 3 90 ? 42.746 -68.965 -80.573 1.00 69.60 ? 108 THR C C 1 +ATOM 9166 O O . THR C 3 90 ? 42.464 -69.360 -79.429 1.00 66.95 ? 108 THR C O 1 +ATOM 9167 C CB . THR C 3 90 ? 40.505 -68.110 -81.111 1.00 63.17 ? 108 THR C CB 1 +ATOM 9168 O OG1 . THR C 3 90 ? 40.236 -69.158 -82.049 1.00 63.54 ? 108 THR C OG1 1 +ATOM 9169 C CG2 . THR C 3 90 ? 39.665 -66.908 -81.430 1.00 57.29 ? 108 THR C CG2 1 +ATOM 9170 N N . PHE C 3 91 ? 43.667 -69.556 -81.321 1.00 60.66 ? 109 PHE C N 1 +ATOM 9171 C CA . PHE C 3 91 ? 44.301 -70.783 -80.840 1.00 64.57 ? 109 PHE C CA 1 +ATOM 9172 C C . PHE C 3 91 ? 45.130 -70.568 -79.573 1.00 56.12 ? 109 PHE C C 1 +ATOM 9173 O O . PHE C 3 91 ? 45.092 -71.426 -78.677 1.00 61.92 ? 109 PHE C O 1 +ATOM 9174 C CB . PHE C 3 91 ? 45.177 -71.430 -81.923 1.00 58.45 ? 109 PHE C CB 1 +ATOM 9175 C CG . PHE C 3 91 ? 45.647 -72.814 -81.561 1.00 73.07 ? 109 PHE C CG 1 +ATOM 9176 C CD1 . PHE C 3 91 ? 44.723 -73.852 -81.404 1.00 61.97 ? 109 PHE C CD1 1 +ATOM 9177 C CD2 . PHE C 3 91 ? 46.996 -73.083 -81.357 1.00 72.39 ? 109 PHE C CD2 1 +ATOM 9178 C CE1 . PHE C 3 91 ? 45.141 -75.142 -81.057 1.00 74.62 ? 109 PHE C CE1 1 +ATOM 9179 C CE2 . PHE C 3 91 ? 47.421 -74.371 -81.022 1.00 69.83 ? 109 PHE C CE2 1 +ATOM 9180 C CZ . PHE C 3 91 ? 46.490 -75.395 -80.867 1.00 64.41 ? 109 PHE C CZ 1 +ATOM 9181 N N . PRO C 3 92 ? 45.917 -69.482 -79.463 1.00 58.04 ? 110 PRO C N 1 +ATOM 9182 C CA . PRO C 3 92 ? 46.643 -69.250 -78.203 1.00 56.61 ? 110 PRO C CA 1 +ATOM 9183 C C . PRO C 3 92 ? 45.733 -69.197 -76.987 1.00 61.27 ? 110 PRO C C 1 +ATOM 9184 O O . PRO C 3 92 ? 46.138 -69.639 -75.905 1.00 64.14 ? 110 PRO C O 1 +ATOM 9185 C CB . PRO C 3 92 ? 47.342 -67.903 -78.435 1.00 62.46 ? 110 PRO C CB 1 +ATOM 9186 C CG . PRO C 3 92 ? 47.432 -67.753 -79.891 1.00 60.80 ? 110 PRO C CG 1 +ATOM 9187 C CD . PRO C 3 92 ? 46.258 -68.470 -80.481 1.00 57.73 ? 110 PRO C CD 1 +ATOM 9188 N N . PHE C 3 93 ? 44.510 -68.672 -77.127 1.00 62.25 ? 111 PHE C N 1 +ATOM 9189 C CA . PHE C 3 93 ? 43.597 -68.672 -75.990 1.00 62.57 ? 111 PHE C CA 1 +ATOM 9190 C C . PHE C 3 93 ? 43.258 -70.103 -75.597 1.00 69.52 ? 111 PHE C C 1 +ATOM 9191 O O . PHE C 3 93 ? 43.256 -70.454 -74.405 1.00 66.71 ? 111 PHE C O 1 +ATOM 9192 C CB . PHE C 3 93 ? 42.334 -67.860 -76.317 1.00 57.04 ? 111 PHE C CB 1 +ATOM 9193 C CG . PHE C 3 93 ? 42.615 -66.471 -76.867 1.00 60.28 ? 111 PHE C CG 1 +ATOM 9194 C CD1 . PHE C 3 93 ? 43.658 -65.703 -76.371 1.00 60.78 ? 111 PHE C CD1 1 +ATOM 9195 C CD2 . PHE C 3 93 ? 41.842 -65.945 -77.899 1.00 60.61 ? 111 PHE C CD2 1 +ATOM 9196 C CE1 . PHE C 3 93 ? 43.919 -64.424 -76.889 1.00 60.87 ? 111 PHE C CE1 1 +ATOM 9197 C CE2 . PHE C 3 93 ? 42.100 -64.671 -78.429 1.00 52.56 ? 111 PHE C CE2 1 +ATOM 9198 C CZ . PHE C 3 93 ? 43.143 -63.916 -77.924 1.00 60.69 ? 111 PHE C CZ 1 +ATOM 9199 N N . PHE C 3 94 ? 43.016 -70.952 -76.599 1.00 58.15 ? 112 PHE C N 1 +ATOM 9200 C CA . PHE C 3 94 ? 42.784 -72.375 -76.367 1.00 53.90 ? 112 PHE C CA 1 +ATOM 9201 C C . PHE C 3 94 ? 43.953 -73.017 -75.625 1.00 52.76 ? 112 PHE C C 1 +ATOM 9202 O O . PHE C 3 94 ? 43.760 -73.737 -74.637 1.00 54.89 ? 112 PHE C O 1 +ATOM 9203 C CB . PHE C 3 94 ? 42.542 -73.075 -77.711 1.00 57.65 ? 112 PHE C CB 1 +ATOM 9204 C CG . PHE C 3 94 ? 42.067 -74.489 -77.577 1.00 64.12 ? 112 PHE C CG 1 +ATOM 9205 C CD1 . PHE C 3 94 ? 40.846 -74.767 -76.983 1.00 64.71 ? 112 PHE C CD1 1 +ATOM 9206 C CD2 . PHE C 3 94 ? 42.841 -75.547 -78.043 1.00 67.52 ? 112 PHE C CD2 1 +ATOM 9207 C CE1 . PHE C 3 94 ? 40.402 -76.080 -76.841 1.00 71.02 ? 112 PHE C CE1 1 +ATOM 9208 C CE2 . PHE C 3 94 ? 42.403 -76.857 -77.908 1.00 64.65 ? 112 PHE C CE2 1 +ATOM 9209 C CZ . PHE C 3 94 ? 41.183 -77.126 -77.313 1.00 63.65 ? 112 PHE C CZ 1 +ATOM 9210 N N . VAL C 3 95 ? 45.177 -72.767 -76.090 1.00 59.21 ? 113 VAL C N 1 +ATOM 9211 C CA . VAL C 3 95 ? 46.349 -73.413 -75.499 1.00 56.01 ? 113 VAL C CA 1 +ATOM 9212 C C . VAL C 3 95 ? 46.475 -73.049 -74.027 1.00 63.93 ? 113 VAL C C 1 +ATOM 9213 O O . VAL C 3 95 ? 46.622 -73.923 -73.163 1.00 64.04 ? 113 VAL C O 1 +ATOM 9214 C CB . VAL C 3 95 ? 47.623 -73.022 -76.268 1.00 67.65 ? 113 VAL C CB 1 +ATOM 9215 C CG1 . VAL C 3 95 ? 48.852 -73.537 -75.530 1.00 65.47 ? 113 VAL C CG1 1 +ATOM 9216 C CG2 . VAL C 3 95 ? 47.559 -73.549 -77.683 1.00 64.87 ? 113 VAL C CG2 1 +ATOM 9217 N N . VAL C 3 96 ? 46.448 -71.741 -73.730 1.00 66.93 ? 114 VAL C N 1 +ATOM 9218 C CA . VAL C 3 96 ? 46.607 -71.261 -72.361 1.00 57.06 ? 114 VAL C CA 1 +ATOM 9219 C C . VAL C 3 96 ? 45.584 -71.922 -71.450 1.00 50.47 ? 114 VAL C C 1 +ATOM 9220 O O . VAL C 3 96 ? 45.903 -72.338 -70.328 1.00 63.34 ? 114 VAL C O 1 +ATOM 9221 C CB . VAL C 3 96 ? 46.506 -69.717 -72.324 1.00 64.77 ? 114 VAL C CB 1 +ATOM 9222 C CG1 . VAL C 3 96 ? 46.591 -69.186 -70.902 1.00 55.41 ? 114 VAL C CG1 1 +ATOM 9223 C CG2 . VAL C 3 96 ? 47.604 -69.081 -73.181 1.00 59.72 ? 114 VAL C CG2 1 +ATOM 9224 N N . GLY C 3 97 ? 44.346 -72.063 -71.930 1.00 57.14 ? 115 GLY C N 1 +ATOM 9225 C CA . GLY C 3 97 ? 43.323 -72.704 -71.116 1.00 58.93 ? 115 GLY C CA 1 +ATOM 9226 C C . GLY C 3 97 ? 43.614 -74.171 -70.873 1.00 62.34 ? 115 GLY C C 1 +ATOM 9227 O O . GLY C 3 97 ? 43.664 -74.622 -69.723 1.00 59.01 ? 115 GLY C O 1 +ATOM 9228 N N . VAL C 3 98 ? 43.836 -74.928 -71.960 1.00 64.33 ? 116 VAL C N 1 +ATOM 9229 C CA . VAL C 3 98 ? 44.089 -76.367 -71.869 1.00 55.34 ? 116 VAL C CA 1 +ATOM 9230 C C . VAL C 3 98 ? 45.259 -76.652 -70.936 1.00 58.75 ? 116 VAL C C 1 +ATOM 9231 O O . VAL C 3 98 ? 45.181 -77.515 -70.052 1.00 57.66 ? 116 VAL C O 1 +ATOM 9232 C CB . VAL C 3 98 ? 44.346 -76.960 -73.271 1.00 61.36 ? 116 VAL C CB 1 +ATOM 9233 C CG1 . VAL C 3 98 ? 44.871 -78.400 -73.158 1.00 57.58 ? 116 VAL C CG1 1 +ATOM 9234 C CG2 . VAL C 3 98 ? 43.072 -76.909 -74.112 1.00 56.25 ? 116 VAL C CG2 1 +ATOM 9235 N N . VAL C 3 99 ? 46.366 -75.931 -71.116 1.00 59.87 ? 117 VAL C N 1 +ATOM 9236 C CA . VAL C 3 99 ? 47.554 -76.273 -70.340 1.00 63.87 ? 117 VAL C CA 1 +ATOM 9237 C C . VAL C 3 99 ? 47.326 -76.006 -68.855 1.00 67.08 ? 117 VAL C C 1 +ATOM 9238 O O . VAL C 3 99 ? 47.768 -76.787 -68.003 1.00 67.46 ? 117 VAL C O 1 +ATOM 9239 C CB . VAL C 3 99 ? 48.784 -75.530 -70.894 1.00 67.19 ? 117 VAL C CB 1 +ATOM 9240 C CG1 . VAL C 3 99 ? 49.998 -75.819 -70.038 1.00 65.23 ? 117 VAL C CG1 1 +ATOM 9241 C CG2 . VAL C 3 99 ? 49.046 -75.981 -72.331 1.00 68.04 ? 117 VAL C CG2 1 +ATOM 9242 N N . HIS C 3 100 ? 46.623 -74.915 -68.512 1.00 63.66 ? 118 HIS C N 1 +ATOM 9243 C CA . HIS C 3 100 ? 46.297 -74.676 -67.108 1.00 52.83 ? 118 HIS C CA 1 +ATOM 9244 C C . HIS C 3 100 ? 45.373 -75.767 -66.585 1.00 56.92 ? 118 HIS C C 1 +ATOM 9245 O O . HIS C 3 100 ? 45.591 -76.314 -65.501 1.00 61.36 ? 118 HIS C O 1 +ATOM 9246 C CB . HIS C 3 100 ? 45.657 -73.288 -66.916 1.00 62.97 ? 118 HIS C CB 1 +ATOM 9247 C CG . HIS C 3 100 ? 46.639 -72.159 -66.750 1.00 62.84 ? 118 HIS C CG 1 +ATOM 9248 N ND1 . HIS C 3 100 ? 47.203 -71.502 -67.821 1.00 56.07 ? 118 HIS C ND1 1 +ATOM 9249 C CD2 . HIS C 3 100 ? 47.127 -71.548 -65.638 1.00 59.83 ? 118 HIS C CD2 1 +ATOM 9250 C CE1 . HIS C 3 100 ? 48.002 -70.540 -67.381 1.00 54.82 ? 118 HIS C CE1 1 +ATOM 9251 N NE2 . HIS C 3 100 ? 47.973 -70.543 -66.058 1.00 63.39 ? 118 HIS C NE2 1 +ATOM 9252 N N . LEU C 3 101 ? 44.339 -76.114 -67.354 1.00 53.07 ? 119 LEU C N 1 +ATOM 9253 C CA . LEU C 3 101 ? 43.428 -77.159 -66.908 1.00 56.27 ? 119 LEU C CA 1 +ATOM 9254 C C . LEU C 3 101 ? 44.161 -78.487 -66.692 1.00 70.60 ? 119 LEU C C 1 +ATOM 9255 O O . LEU C 3 101 ? 43.954 -79.154 -65.664 1.00 65.88 ? 119 LEU C O 1 +ATOM 9256 C CB . LEU C 3 101 ? 42.278 -77.315 -67.904 1.00 59.94 ? 119 LEU C CB 1 +ATOM 9257 C CG . LEU C 3 101 ? 41.137 -78.223 -67.425 1.00 65.50 ? 119 LEU C CG 1 +ATOM 9258 C CD1 . LEU C 3 101 ? 40.517 -77.643 -66.165 1.00 63.28 ? 119 LEU C CD1 1 +ATOM 9259 C CD2 . LEU C 3 101 ? 40.081 -78.400 -68.489 1.00 56.54 ? 119 LEU C CD2 1 +ATOM 9260 N N . ILE C 3 102 ? 45.042 -78.878 -67.626 1.00 56.51 ? 120 ILE C N 1 +ATOM 9261 C CA . ILE C 3 102 ? 45.760 -80.150 -67.474 1.00 63.78 ? 120 ILE C CA 1 +ATOM 9262 C C . ILE C 3 102 ? 46.653 -80.108 -66.242 1.00 60.12 ? 120 ILE C C 1 +ATOM 9263 O O . ILE C 3 102 ? 46.682 -81.053 -65.442 1.00 59.35 ? 120 ILE C O 1 +ATOM 9264 C CB . ILE C 3 102 ? 46.570 -80.497 -68.750 1.00 72.46 ? 120 ILE C CB 1 +ATOM 9265 C CG1 . ILE C 3 102 ? 45.654 -80.822 -69.947 1.00 60.83 ? 120 ILE C CG1 1 +ATOM 9266 C CG2 . ILE C 3 102 ? 47.516 -81.674 -68.495 1.00 64.73 ? 120 ILE C CG2 1 +ATOM 9267 C CD1 . ILE C 3 102 ? 44.618 -81.907 -69.680 1.00 67.63 ? 120 ILE C CD1 1 +ATOM 9268 N N . SER C 3 103 ? 47.369 -78.994 -66.048 1.00 61.91 ? 121 SER C N 1 +ATOM 9269 C CA . SER C 3 103 ? 48.265 -78.883 -64.900 1.00 63.04 ? 121 SER C CA 1 +ATOM 9270 C C . SER C 3 103 ? 47.524 -78.981 -63.565 1.00 70.84 ? 121 SER C C 1 +ATOM 9271 O O . SER C 3 103 ? 48.079 -79.516 -62.587 1.00 65.24 ? 121 SER C O 1 +ATOM 9272 C CB . SER C 3 103 ? 49.053 -77.578 -64.978 1.00 69.20 ? 121 SER C CB 1 +ATOM 9273 O OG . SER C 3 103 ? 49.820 -77.506 -66.172 1.00 59.49 ? 121 SER C OG 1 +ATOM 9274 N N . SER C 3 104 ? 46.274 -78.500 -63.493 1.00 55.21 ? 122 SER C N 1 +ATOM 9275 C CA . SER C 3 104 ? 45.564 -78.551 -62.215 1.00 57.90 ? 122 SER C CA 1 +ATOM 9276 C C . SER C 3 104 ? 45.383 -79.983 -61.726 1.00 61.02 ? 122 SER C C 1 +ATOM 9277 O O . SER C 3 104 ? 45.282 -80.214 -60.514 1.00 59.65 ? 122 SER C O 1 +ATOM 9278 C CB . SER C 3 104 ? 44.205 -77.860 -62.324 1.00 56.30 ? 122 SER C CB 1 +ATOM 9279 O OG . SER C 3 104 ? 43.315 -78.575 -63.166 1.00 64.83 ? 122 SER C OG 1 +ATOM 9280 N N . ALA C 3 105 ? 45.337 -80.955 -62.649 1.00 66.78 ? 123 ALA C N 1 +ATOM 9281 C CA . ALA C 3 105 ? 45.260 -82.358 -62.248 1.00 70.11 ? 123 ALA C CA 1 +ATOM 9282 C C . ALA C 3 105 ? 46.542 -82.803 -61.552 1.00 55.20 ? 123 ALA C C 1 +ATOM 9283 O O . ALA C 3 105 ? 46.492 -83.511 -60.544 1.00 61.23 ? 123 ALA C O 1 +ATOM 9284 C CB . ALA C 3 105 ? 44.968 -83.237 -63.467 1.00 69.02 ? 123 ALA C CB 1 +ATOM 9285 N N . VAL C 3 106 ? 47.699 -82.382 -62.068 1.00 63.78 ? 124 VAL C N 1 +ATOM 9286 C CA . VAL C 3 106 ? 48.968 -82.679 -61.407 1.00 67.35 ? 124 VAL C CA 1 +ATOM 9287 C C . VAL C 3 106 ? 48.979 -82.095 -59.994 1.00 72.44 ? 124 VAL C C 1 +ATOM 9288 O O . VAL C 3 106 ? 49.295 -82.789 -59.017 1.00 68.57 ? 124 VAL C O 1 +ATOM 9289 C CB . VAL C 3 106 ? 50.146 -82.150 -62.245 1.00 65.06 ? 124 VAL C CB 1 +ATOM 9290 C CG1 . VAL C 3 106 ? 51.462 -82.594 -61.648 1.00 64.95 ? 124 VAL C CG1 1 +ATOM 9291 C CG2 . VAL C 3 106 ? 50.025 -82.603 -63.689 1.00 66.65 ? 124 VAL C CG2 1 +ATOM 9292 N N . LEU C 3 107 ? 48.615 -80.808 -59.862 1.00 72.02 ? 125 LEU C N 1 +ATOM 9293 C CA . LEU C 3 107 ? 48.624 -80.178 -58.543 1.00 57.11 ? 125 LEU C CA 1 +ATOM 9294 C C . LEU C 3 107 ? 47.569 -80.790 -57.634 1.00 62.68 ? 125 LEU C C 1 +ATOM 9295 O O . LEU C 3 107 ? 47.827 -81.024 -56.446 1.00 55.93 ? 125 LEU C O 1 +ATOM 9296 C CB . LEU C 3 107 ? 48.424 -78.670 -58.663 1.00 58.58 ? 125 LEU C CB 1 +ATOM 9297 C CG . LEU C 3 107 ? 49.522 -77.914 -59.405 1.00 70.94 ? 125 LEU C CG 1 +ATOM 9298 C CD1 . LEU C 3 107 ? 49.116 -76.452 -59.676 1.00 63.25 ? 125 LEU C CD1 1 +ATOM 9299 C CD2 . LEU C 3 107 ? 50.845 -78.003 -58.655 1.00 56.74 ? 125 LEU C CD2 1 +ATOM 9300 N N . GLY C 3 108 ? 46.375 -81.056 -58.166 1.00 58.99 ? 126 GLY C N 1 +ATOM 9301 C CA . GLY C 3 108 ? 45.359 -81.704 -57.351 1.00 56.77 ? 126 GLY C CA 1 +ATOM 9302 C C . GLY C 3 108 ? 45.815 -83.067 -56.862 1.00 78.12 ? 126 GLY C C 1 +ATOM 9303 O O . GLY C 3 108 ? 45.576 -83.441 -55.707 1.00 66.74 ? 126 GLY C O 1 +ATOM 9304 N N . PHE C 3 109 ? 46.510 -83.814 -57.728 1.00 65.05 ? 127 PHE C N 1 +ATOM 9305 C CA . PHE C 3 109 ? 47.026 -85.122 -57.341 1.00 70.23 ? 127 PHE C CA 1 +ATOM 9306 C C . PHE C 3 109 ? 48.016 -85.001 -56.187 1.00 54.41 ? 127 PHE C C 1 +ATOM 9307 O O . PHE C 3 109 ? 47.888 -85.689 -55.168 1.00 60.69 ? 127 PHE C O 1 +ATOM 9308 C CB . PHE C 3 109 ? 47.679 -85.811 -58.544 1.00 67.37 ? 127 PHE C CB 1 +ATOM 9309 C CG . PHE C 3 109 ? 47.875 -87.284 -58.351 1.00 84.85 ? 127 PHE C CG 1 +ATOM 9310 C CD1 . PHE C 3 109 ? 48.968 -87.771 -57.646 1.00 84.37 ? 127 PHE C CD1 1 +ATOM 9311 C CD2 . PHE C 3 109 ? 46.950 -88.186 -58.848 1.00 76.94 ? 127 PHE C CD2 1 +ATOM 9312 C CE1 . PHE C 3 109 ? 49.137 -89.131 -57.450 1.00 91.15 ? 127 PHE C CE1 1 +ATOM 9313 C CE2 . PHE C 3 109 ? 47.117 -89.547 -58.655 1.00 97.79 ? 127 PHE C CE2 1 +ATOM 9314 C CZ . PHE C 3 109 ? 48.210 -90.019 -57.956 1.00 92.56 ? 127 PHE C CZ 1 +ATOM 9315 N N . GLY C 3 110 ? 49.017 -84.136 -56.333 1.00 63.46 ? 128 GLY C N 1 +ATOM 9316 C CA . GLY C 3 110 ? 49.970 -83.954 -55.253 1.00 71.65 ? 128 GLY C CA 1 +ATOM 9317 C C . GLY C 3 110 ? 49.313 -83.467 -53.974 1.00 81.77 ? 128 GLY C C 1 +ATOM 9318 O O . GLY C 3 110 ? 49.614 -83.957 -52.878 1.00 67.48 ? 128 GLY C O 1 +ATOM 9319 N N . GLY C 3 111 ? 48.390 -82.510 -54.098 1.00 72.24 ? 129 GLY C N 1 +ATOM 9320 C CA . GLY C 3 111 ? 47.717 -82.000 -52.916 1.00 66.41 ? 129 GLY C CA 1 +ATOM 9321 C C . GLY C 3 111 ? 46.936 -83.071 -52.187 1.00 61.55 ? 129 GLY C C 1 +ATOM 9322 O O . GLY C 3 111 ? 47.014 -83.179 -50.962 1.00 62.85 ? 129 GLY C O 1 +ATOM 9323 N N . VAL C 3 112 ? 46.189 -83.895 -52.929 1.00 68.70 ? 130 VAL C N 1 +ATOM 9324 C CA . VAL C 3 112 ? 45.387 -84.929 -52.283 1.00 63.60 ? 130 VAL C CA 1 +ATOM 9325 C C . VAL C 3 112 ? 46.285 -85.977 -51.634 1.00 76.04 ? 130 VAL C C 1 +ATOM 9326 O O . VAL C 3 112 ? 45.988 -86.477 -50.539 1.00 67.96 ? 130 VAL C O 1 +ATOM 9327 C CB . VAL C 3 112 ? 44.405 -85.557 -53.287 1.00 72.14 ? 130 VAL C CB 1 +ATOM 9328 C CG1 . VAL C 3 112 ? 43.799 -86.825 -52.716 1.00 66.60 ? 130 VAL C CG1 1 +ATOM 9329 C CG2 . VAL C 3 112 ? 43.305 -84.556 -53.644 1.00 76.71 ? 130 VAL C CG2 1 +ATOM 9330 N N . TYR C 3 113 ? 47.406 -86.306 -52.284 1.00 63.72 ? 131 TYR C N 1 +ATOM 9331 C CA . TYR C 3 113 ? 48.350 -87.262 -51.713 1.00 73.64 ? 131 TYR C CA 1 +ATOM 9332 C C . TYR C 3 113 ? 48.915 -86.755 -50.382 1.00 72.64 ? 131 TYR C C 1 +ATOM 9333 O O . TYR C 3 113 ? 48.821 -87.431 -49.348 1.00 57.64 ? 131 TYR C O 1 +ATOM 9334 C CB . TYR C 3 113 ? 49.483 -87.548 -52.711 1.00 64.56 ? 131 TYR C CB 1 +ATOM 9335 C CG . TYR C 3 113 ? 50.704 -88.142 -52.046 1.00 69.23 ? 131 TYR C CG 1 +ATOM 9336 C CD1 . TYR C 3 113 ? 50.703 -89.465 -51.610 1.00 83.90 ? 131 TYR C CD1 1 +ATOM 9337 C CD2 . TYR C 3 113 ? 51.849 -87.377 -51.825 1.00 72.66 ? 131 TYR C CD2 1 +ATOM 9338 C CE1 . TYR C 3 113 ? 51.809 -90.012 -50.972 1.00 80.24 ? 131 TYR C CE1 1 +ATOM 9339 C CE2 . TYR C 3 113 ? 52.957 -87.912 -51.196 1.00 64.24 ? 131 TYR C CE2 1 +ATOM 9340 C CZ . TYR C 3 113 ? 52.932 -89.232 -50.772 1.00 92.91 ? 131 TYR C CZ 1 +ATOM 9341 O OH . TYR C 3 113 ? 54.031 -89.773 -50.143 1.00 90.50 ? 131 TYR C OH 1 +ATOM 9342 N N . HIS C 3 114 ? 49.529 -85.568 -50.394 1.00 62.23 ? 132 HIS C N 1 +ATOM 9343 C CA . HIS C 3 114 ? 50.128 -85.054 -49.171 1.00 65.89 ? 132 HIS C CA 1 +ATOM 9344 C C . HIS C 3 114 ? 49.070 -84.824 -48.093 1.00 71.22 ? 132 HIS C C 1 +ATOM 9345 O O . HIS C 3 114 ? 49.345 -85.014 -46.901 1.00 74.20 ? 132 HIS C O 1 +ATOM 9346 C CB . HIS C 3 114 ? 50.886 -83.763 -49.455 1.00 61.03 ? 132 HIS C CB 1 +ATOM 9347 C CG . HIS C 3 114 ? 52.223 -83.948 -50.115 1.00 65.35 ? 132 HIS C CG 1 +ATOM 9348 N ND1 . HIS C 3 114 ? 53.314 -84.478 -49.460 1.00 71.69 ? 132 HIS C ND1 1 +ATOM 9349 C CD2 . HIS C 3 114 ? 52.665 -83.595 -51.349 1.00 83.12 ? 132 HIS C CD2 1 +ATOM 9350 C CE1 . HIS C 3 114 ? 54.361 -84.467 -50.268 1.00 79.38 ? 132 HIS C CE1 1 +ATOM 9351 N NE2 . HIS C 3 114 ? 53.994 -83.942 -51.424 1.00 73.32 ? 132 HIS C NE2 1 +ATOM 9352 N N . ALA C 3 115 ? 47.840 -84.483 -48.490 1.00 75.73 ? 133 ALA C N 1 +ATOM 9353 C CA . ALA C 3 115 ? 46.811 -84.158 -47.503 1.00 70.23 ? 133 ALA C CA 1 +ATOM 9354 C C . ALA C 3 115 ? 46.328 -85.398 -46.755 1.00 69.60 ? 133 ALA C C 1 +ATOM 9355 O O . ALA C 3 115 ? 46.106 -85.352 -45.541 1.00 73.15 ? 133 ALA C O 1 +ATOM 9356 C CB . ALA C 3 115 ? 45.637 -83.445 -48.179 1.00 59.19 ? 133 ALA C CB 1 +ATOM 9357 N N . ILE C 3 116 ? 46.136 -86.511 -47.450 1.00 69.40 ? 134 ILE C N 1 +ATOM 9358 C CA . ILE C 3 116 ? 45.546 -87.674 -46.802 1.00 94.33 ? 134 ILE C CA 1 +ATOM 9359 C C . ILE C 3 116 ? 46.421 -88.916 -46.851 1.00 79.45 ? 134 ILE C C 1 +ATOM 9360 O O . ILE C 3 116 ? 46.211 -89.825 -46.028 1.00 84.62 ? 134 ILE C O 1 +ATOM 9361 C CB . ILE C 3 116 ? 44.141 -87.998 -47.357 1.00 78.56 ? 134 ILE C CB 1 +ATOM 9362 C CG1 . ILE C 3 116 ? 44.234 -88.542 -48.763 1.00 89.18 ? 134 ILE C CG1 1 +ATOM 9363 C CG2 . ILE C 3 116 ? 43.239 -86.753 -47.349 1.00 70.90 ? 134 ILE C CG2 1 +ATOM 9364 C CD1 . ILE C 3 116 ? 42.875 -88.755 -49.400 1.00 110.72 ? 134 ILE C CD1 1 +ATOM 9365 N N . ARG C 3 117 ? 47.413 -89.013 -47.736 1.00 75.07 ? 135 ARG C N 1 +ATOM 9366 C CA . ARG C 3 117 ? 48.215 -90.229 -47.820 1.00 85.61 ? 135 ARG C CA 1 +ATOM 9367 C C . ARG C 3 117 ? 49.616 -90.082 -47.249 1.00 78.64 ? 135 ARG C C 1 +ATOM 9368 O O . ARG C 3 117 ? 50.088 -90.980 -46.554 1.00 77.99 ? 135 ARG C O 1 +ATOM 9369 C CB . ARG C 3 117 ? 48.326 -90.716 -49.273 1.00 91.78 ? 135 ARG C CB 1 +ATOM 9370 C CG . ARG C 3 117 ? 48.929 -92.101 -49.408 1.00 92.32 ? 135 ARG C CG 1 +ATOM 9371 C CD . ARG C 3 117 ? 48.057 -93.118 -48.706 1.00 89.81 ? 135 ARG C CD 1 +ATOM 9372 N NE . ARG C 3 117 ? 48.808 -94.322 -48.386 1.00 117.95 ? 135 ARG C NE 1 +ATOM 9373 C CZ . ARG C 3 117 ? 48.266 -95.450 -47.952 1.00 133.64 ? 135 ARG C CZ 1 +ATOM 9374 N NH1 . ARG C 3 117 ? 46.954 -95.580 -47.809 1.00 110.73 ? 135 ARG C NH1 1 +ATOM 9375 N NH2 . ARG C 3 117 ? 49.058 -96.478 -47.662 1.00 143.61 ? 135 ARG C NH2 1 +ATOM 9376 N N . GLY C 3 118 ? 50.311 -88.987 -47.546 1.00 74.71 ? 136 GLY C N 1 +ATOM 9377 C CA . GLY C 3 118 ? 51.694 -88.857 -47.183 1.00 70.33 ? 136 GLY C CA 1 +ATOM 9378 C C . GLY C 3 118 ? 51.905 -88.641 -45.696 1.00 81.02 ? 136 GLY C C 1 +ATOM 9379 O O . GLY C 3 118 ? 50.968 -88.685 -44.885 1.00 73.67 ? 136 GLY C O 1 +ATOM 9380 N N . PRO C 3 119 ? 53.163 -88.425 -45.323 1.00 68.70 ? 137 PRO C N 1 +ATOM 9381 C CA . PRO C 3 119 ? 53.477 -88.152 -43.913 1.00 67.49 ? 137 PRO C CA 1 +ATOM 9382 C C . PRO C 3 119 ? 52.835 -86.851 -43.435 1.00 84.94 ? 137 PRO C C 1 +ATOM 9383 O O . PRO C 3 119 ? 52.923 -85.812 -44.099 1.00 74.15 ? 137 PRO C O 1 +ATOM 9384 C CB . PRO C 3 119 ? 55.009 -88.069 -43.899 1.00 81.73 ? 137 PRO C CB 1 +ATOM 9385 C CG . PRO C 3 119 ? 55.400 -87.829 -45.360 1.00 82.53 ? 137 PRO C CG 1 +ATOM 9386 C CD . PRO C 3 119 ? 54.359 -88.483 -46.182 1.00 66.65 ? 137 PRO C CD 1 +ATOM 9387 N N . GLU C 3 120 ? 52.178 -86.926 -42.272 1.00 75.20 ? 138 GLU C N 1 +ATOM 9388 C CA . GLU C 3 120 ? 51.508 -85.764 -41.697 1.00 79.67 ? 138 GLU C CA 1 +ATOM 9389 C C . GLU C 3 120 ? 52.496 -84.682 -41.304 1.00 69.56 ? 138 GLU C C 1 +ATOM 9390 O O . GLU C 3 120 ? 52.221 -83.487 -41.475 1.00 77.57 ? 138 GLU C O 1 +ATOM 9391 C CB . GLU C 3 120 ? 50.685 -86.174 -40.481 1.00 63.93 ? 138 GLU C CB 1 +ATOM 9392 C CG . GLU C 3 120 ? 49.440 -86.938 -40.834 1.00 78.38 ? 138 GLU C CG 1 +ATOM 9393 C CD . GLU C 3 120 ? 48.448 -86.950 -39.699 1.00 95.00 ? 138 GLU C CD 1 +ATOM 9394 O OE1 . GLU C 3 120 ? 48.864 -86.701 -38.544 1.00 103.80 ? 138 GLU C OE1 1 +ATOM 9395 O OE2 . GLU C 3 120 ? 47.254 -87.203 -39.963 1.00 92.26 ? 138 GLU C OE2 1 +ATOM 9396 N N . THR C 3 121 ? 53.631 -85.069 -40.746 1.00 67.44 ? 139 THR C N 1 +ATOM 9397 C CA . THR C 3 121 ? 54.706 -84.135 -40.462 1.00 68.74 ? 139 THR C CA 1 +ATOM 9398 C C . THR C 3 121 ? 55.863 -84.451 -41.394 1.00 67.34 ? 139 THR C C 1 +ATOM 9399 O O . THR C 3 121 ? 56.053 -85.601 -41.800 1.00 82.00 ? 139 THR C O 1 +ATOM 9400 C CB . THR C 3 121 ? 55.153 -84.206 -38.989 1.00 75.95 ? 139 THR C CB 1 +ATOM 9401 O OG1 . THR C 3 121 ? 55.561 -85.543 -38.660 1.00 70.29 ? 139 THR C OG1 1 +ATOM 9402 C CG2 . THR C 3 121 ? 54.015 -83.781 -38.065 1.00 61.96 ? 139 THR C CG2 1 +ATOM 9403 N N . LEU C 3 122 ? 56.606 -83.416 -41.772 1.00 68.35 ? 140 LEU C N 1 +ATOM 9404 C CA . LEU C 3 122 ? 57.733 -83.590 -42.674 1.00 77.05 ? 140 LEU C CA 1 +ATOM 9405 C C . LEU C 3 122 ? 59.071 -83.591 -41.948 1.00 76.78 ? 140 LEU C C 1 +ATOM 9406 O O . LEU C 3 122 ? 60.090 -83.925 -42.558 1.00 77.20 ? 140 LEU C O 1 +ATOM 9407 C CB . LEU C 3 122 ? 57.734 -82.494 -43.755 1.00 69.33 ? 140 LEU C CB 1 +ATOM 9408 C CG . LEU C 3 122 ? 56.570 -82.413 -44.755 1.00 76.31 ? 140 LEU C CG 1 +ATOM 9409 C CD1 . LEU C 3 122 ? 56.865 -81.359 -45.810 1.00 71.65 ? 140 LEU C CD1 1 +ATOM 9410 C CD2 . LEU C 3 122 ? 56.249 -83.747 -45.425 1.00 67.31 ? 140 LEU C CD2 1 +ATOM 9411 N N . GLU C 3 123 ? 59.090 -83.244 -40.664 1.00 74.36 ? 141 GLU C N 1 +ATOM 9412 C CA . GLU C 3 123 ? 60.360 -83.092 -39.966 1.00 72.46 ? 141 GLU C CA 1 +ATOM 9413 C C . GLU C 3 123 ? 61.045 -84.438 -39.757 1.00 97.52 ? 141 GLU C C 1 +ATOM 9414 O O . GLU C 3 123 ? 62.270 -84.545 -39.893 1.00 78.72 ? 141 GLU C O 1 +ATOM 9415 C CB . GLU C 3 123 ? 60.134 -82.377 -38.637 1.00 70.96 ? 141 GLU C CB 1 +ATOM 9416 C CG . GLU C 3 123 ? 59.697 -80.915 -38.798 1.00 76.92 ? 141 GLU C CG 1 +ATOM 9417 C CD . GLU C 3 123 ? 58.333 -80.768 -39.458 1.00 68.04 ? 141 GLU C CD 1 +ATOM 9418 O OE1 . GLU C 3 123 ? 57.360 -81.383 -38.978 1.00 76.00 ? 141 GLU C OE1 1 +ATOM 9419 O OE2 . GLU C 3 123 ? 58.244 -80.057 -40.474 1.00 71.43 ? 141 GLU C OE2 1 +ATOM 9420 N N . GLU C 3 124 ? 60.272 -85.478 -39.437 1.00 67.21 ? 142 GLU C N 1 +ATOM 9421 C CA . GLU C 3 124 ? 60.845 -86.811 -39.307 1.00 84.62 ? 142 GLU C CA 1 +ATOM 9422 C C . GLU C 3 124 ? 61.326 -87.346 -40.650 1.00 95.54 ? 142 GLU C C 1 +ATOM 9423 O O . GLU C 3 124 ? 62.325 -88.072 -40.706 1.00 90.77 ? 142 GLU C O 1 +ATOM 9424 C CB . GLU C 3 124 ? 59.815 -87.763 -38.695 1.00 101.51 ? 142 GLU C CB 1 +ATOM 9425 C CG . GLU C 3 124 ? 58.424 -87.144 -38.512 1.00 120.68 ? 142 GLU C CG 1 +ATOM 9426 C CD . GLU C 3 124 ? 58.320 -86.271 -37.263 1.00 125.35 ? 142 GLU C CD 1 +ATOM 9427 O OE1 . GLU C 3 124 ? 58.742 -86.725 -36.175 1.00 127.41 ? 142 GLU C OE1 1 +ATOM 9428 O OE2 . GLU C 3 124 ? 57.824 -85.128 -37.374 1.00 105.34 ? 142 GLU C OE2 1 +ATOM 9429 N N . TYR C 3 125 ? 60.649 -86.978 -41.738 1.00 88.04 ? 143 TYR C N 1 +ATOM 9430 C CA . TYR C 3 125 ? 60.944 -87.556 -43.043 1.00 84.13 ? 143 TYR C CA 1 +ATOM 9431 C C . TYR C 3 125 ? 62.096 -86.841 -43.742 1.00 78.00 ? 143 TYR C C 1 +ATOM 9432 O O . TYR C 3 125 ? 62.963 -87.488 -44.335 1.00 90.75 ? 143 TYR C O 1 +ATOM 9433 C CB . TYR C 3 125 ? 59.683 -87.528 -43.904 1.00 88.22 ? 143 TYR C CB 1 +ATOM 9434 C CG . TYR C 3 125 ? 59.920 -87.743 -45.374 1.00 99.12 ? 143 TYR C CG 1 +ATOM 9435 C CD1 . TYR C 3 125 ? 60.008 -89.023 -45.905 1.00 98.67 ? 143 TYR C CD1 1 +ATOM 9436 C CD2 . TYR C 3 125 ? 60.035 -86.667 -46.239 1.00 98.77 ? 143 TYR C CD2 1 +ATOM 9437 C CE1 . TYR C 3 125 ? 60.214 -89.221 -47.255 1.00 104.19 ? 143 TYR C CE1 1 +ATOM 9438 C CE2 . TYR C 3 125 ? 60.242 -86.858 -47.589 1.00 103.16 ? 143 TYR C CE2 1 +ATOM 9439 C CZ . TYR C 3 125 ? 60.327 -88.134 -48.094 1.00 104.08 ? 143 TYR C CZ 1 +ATOM 9440 O OH . TYR C 3 125 ? 60.536 -88.316 -49.444 1.00 118.27 ? 143 TYR C OH 1 +ATOM 9441 N N . SER C 3 126 ? 62.126 -85.516 -43.704 1.00 89.54 ? 144 SER C N 1 +ATOM 9442 C CA . SER C 3 126 ? 63.185 -84.789 -44.386 1.00 83.62 ? 144 SER C CA 1 +ATOM 9443 C C . SER C 3 126 ? 63.462 -83.501 -43.639 1.00 86.12 ? 144 SER C C 1 +ATOM 9444 O O . SER C 3 126 ? 62.539 -82.722 -43.389 1.00 90.47 ? 144 SER C O 1 +ATOM 9445 C CB . SER C 3 126 ? 62.809 -84.471 -45.833 1.00 81.76 ? 144 SER C CB 1 +ATOM 9446 O OG . SER C 3 126 ? 63.619 -83.412 -46.319 1.00 90.09 ? 144 SER C OG 1 +ATOM 9447 N N . SER C 3 127 ? 64.725 -83.275 -43.298 1.00 82.61 ? 145 SER C N 1 +ATOM 9448 C CA . SER C 3 127 ? 65.083 -82.015 -42.664 1.00 84.56 ? 145 SER C CA 1 +ATOM 9449 C C . SER C 3 127 ? 65.208 -80.880 -43.664 1.00 72.49 ? 145 SER C C 1 +ATOM 9450 O O . SER C 3 127 ? 65.247 -79.716 -43.251 1.00 95.23 ? 145 SER C O 1 +ATOM 9451 C CB . SER C 3 127 ? 66.390 -82.160 -41.885 1.00 86.19 ? 145 SER C CB 1 +ATOM 9452 O OG . SER C 3 127 ? 67.471 -82.402 -42.766 1.00 108.11 ? 145 SER C OG 1 +ATOM 9453 N N . PHE C 3 128 ? 65.281 -81.177 -44.960 1.00 91.14 ? 146 PHE C N 1 +ATOM 9454 C CA . PHE C 3 128 ? 65.274 -80.096 -45.941 1.00 81.22 ? 146 PHE C CA 1 +ATOM 9455 C C . PHE C 3 128 ? 63.869 -79.541 -46.119 1.00 82.17 ? 146 PHE C C 1 +ATOM 9456 O O . PHE C 3 128 ? 63.674 -78.322 -46.138 1.00 82.08 ? 146 PHE C O 1 +ATOM 9457 C CB . PHE C 3 128 ? 65.829 -80.575 -47.278 1.00 84.41 ? 146 PHE C CB 1 +ATOM 9458 C CG . PHE C 3 128 ? 65.733 -79.550 -48.368 1.00 81.49 ? 146 PHE C CG 1 +ATOM 9459 C CD1 . PHE C 3 128 ? 66.679 -78.550 -48.477 1.00 76.34 ? 146 PHE C CD1 1 +ATOM 9460 C CD2 . PHE C 3 128 ? 64.693 -79.587 -49.285 1.00 84.29 ? 146 PHE C CD2 1 +ATOM 9461 C CE1 . PHE C 3 128 ? 66.593 -77.600 -49.477 1.00 95.16 ? 146 PHE C CE1 1 +ATOM 9462 C CE2 . PHE C 3 128 ? 64.604 -78.643 -50.285 1.00 90.65 ? 146 PHE C CE2 1 +ATOM 9463 C CZ . PHE C 3 128 ? 65.556 -77.649 -50.381 1.00 85.87 ? 146 PHE C CZ 1 +ATOM 9464 N N . PHE C 3 129 ? 62.877 -80.425 -46.234 1.00 80.03 ? 147 PHE C N 1 +ATOM 9465 C CA . PHE C 3 129 ? 61.497 -79.990 -46.376 1.00 78.60 ? 147 PHE C CA 1 +ATOM 9466 C C . PHE C 3 129 ? 60.817 -79.734 -45.041 1.00 77.68 ? 147 PHE C C 1 +ATOM 9467 O O . PHE C 3 129 ? 59.795 -79.042 -45.011 1.00 88.06 ? 147 PHE C O 1 +ATOM 9468 C CB . PHE C 3 129 ? 60.710 -81.018 -47.182 1.00 78.00 ? 147 PHE C CB 1 +ATOM 9469 C CG . PHE C 3 129 ? 61.169 -81.130 -48.597 1.00 88.07 ? 147 PHE C CG 1 +ATOM 9470 C CD1 . PHE C 3 129 ? 61.008 -80.069 -49.468 1.00 88.50 ? 147 PHE C CD1 1 +ATOM 9471 C CD2 . PHE C 3 129 ? 61.784 -82.277 -49.052 1.00 78.91 ? 147 PHE C CD2 1 +ATOM 9472 C CE1 . PHE C 3 129 ? 61.439 -80.155 -50.769 1.00 87.17 ? 147 PHE C CE1 1 +ATOM 9473 C CE2 . PHE C 3 129 ? 62.211 -82.370 -50.352 1.00 82.15 ? 147 PHE C CE2 1 +ATOM 9474 C CZ . PHE C 3 129 ? 62.041 -81.310 -51.212 1.00 88.25 ? 147 PHE C CZ 1 +ATOM 9475 N N . GLY C 3 130 ? 61.352 -80.265 -43.947 1.00 89.39 ? 148 GLY C N 1 +ATOM 9476 C CA . GLY C 3 130 ? 60.822 -79.941 -42.639 1.00 71.38 ? 148 GLY C CA 1 +ATOM 9477 C C . GLY C 3 130 ? 61.114 -78.504 -42.251 1.00 78.95 ? 148 GLY C C 1 +ATOM 9478 O O . GLY C 3 130 ? 62.042 -77.860 -42.754 1.00 66.66 ? 148 GLY C O 1 +ATOM 9479 N N . TYR C 3 131 ? 60.285 -77.986 -41.347 1.00 63.10 ? 149 TYR C N 1 +ATOM 9480 C CA . TYR C 3 131 ? 60.487 -76.630 -40.857 1.00 74.97 ? 149 TYR C CA 1 +ATOM 9481 C C . TYR C 3 131 ? 59.808 -76.473 -39.504 1.00 70.92 ? 149 TYR C C 1 +ATOM 9482 O O . TYR C 3 131 ? 58.824 -77.152 -39.192 1.00 66.92 ? 149 TYR C O 1 +ATOM 9483 C CB . TYR C 3 131 ? 59.959 -75.574 -41.845 1.00 68.82 ? 149 TYR C CB 1 +ATOM 9484 C CG . TYR C 3 131 ? 58.475 -75.678 -42.118 1.00 70.44 ? 149 TYR C CG 1 +ATOM 9485 C CD1 . TYR C 3 131 ? 57.552 -75.022 -41.309 1.00 72.58 ? 149 TYR C CD1 1 +ATOM 9486 C CD2 . TYR C 3 131 ? 57.995 -76.432 -43.185 1.00 67.27 ? 149 TYR C CD2 1 +ATOM 9487 C CE1 . TYR C 3 131 ? 56.192 -75.120 -41.545 1.00 68.03 ? 149 TYR C CE1 1 +ATOM 9488 C CE2 . TYR C 3 131 ? 56.631 -76.539 -43.431 1.00 70.58 ? 149 TYR C CE2 1 +ATOM 9489 C CZ . TYR C 3 131 ? 55.736 -75.880 -42.604 1.00 73.37 ? 149 TYR C CZ 1 +ATOM 9490 O OH . TYR C 3 131 ? 54.383 -75.984 -42.825 1.00 69.70 ? 149 TYR C OH 1 +ATOM 9491 N N . ASP C 3 132 ? 60.365 -75.578 -38.702 1.00 74.10 ? 150 ASP C N 1 +ATOM 9492 C CA . ASP C 3 132 ? 59.713 -75.081 -37.505 1.00 78.66 ? 150 ASP C CA 1 +ATOM 9493 C C . ASP C 3 132 ? 59.442 -73.600 -37.707 1.00 62.68 ? 150 ASP C C 1 +ATOM 9494 O O . ASP C 3 132 ? 60.348 -72.857 -38.096 1.00 67.96 ? 150 ASP C O 1 +ATOM 9495 C CB . ASP C 3 132 ? 60.586 -75.303 -36.269 1.00 77.02 ? 150 ASP C CB 1 +ATOM 9496 C CG . ASP C 3 132 ? 59.953 -74.761 -35.013 1.00 79.69 ? 150 ASP C CG 1 +ATOM 9497 O OD1 . ASP C 3 132 ? 58.952 -75.340 -34.542 1.00 97.90 ? 150 ASP C OD1 1 +ATOM 9498 O OD2 . ASP C 3 132 ? 60.450 -73.744 -34.507 1.00 95.57 ? 150 ASP C OD2 1 +ATOM 9499 N N . TRP C 3 133 ? 58.203 -73.177 -37.439 1.00 63.13 ? 151 TRP C N 1 +ATOM 9500 C CA . TRP C 3 133 ? 57.852 -71.764 -37.583 1.00 66.27 ? 151 TRP C CA 1 +ATOM 9501 C C . TRP C 3 133 ? 58.816 -70.853 -36.836 1.00 65.83 ? 151 TRP C C 1 +ATOM 9502 O O . TRP C 3 133 ? 59.073 -69.727 -37.277 1.00 62.46 ? 151 TRP C O 1 +ATOM 9503 C CB . TRP C 3 133 ? 56.438 -71.498 -37.076 1.00 56.86 ? 151 TRP C CB 1 +ATOM 9504 C CG . TRP C 3 133 ? 55.327 -72.184 -37.805 1.00 58.07 ? 151 TRP C CG 1 +ATOM 9505 C CD1 . TRP C 3 133 ? 54.480 -73.135 -37.300 1.00 57.11 ? 151 TRP C CD1 1 +ATOM 9506 C CD2 . TRP C 3 133 ? 54.920 -71.963 -39.166 1.00 53.73 ? 151 TRP C CD2 1 +ATOM 9507 N NE1 . TRP C 3 133 ? 53.575 -73.518 -38.265 1.00 63.48 ? 151 TRP C NE1 1 +ATOM 9508 C CE2 . TRP C 3 133 ? 53.822 -72.806 -39.415 1.00 57.01 ? 151 TRP C CE2 1 +ATOM 9509 C CE3 . TRP C 3 133 ? 55.378 -71.134 -40.192 1.00 65.89 ? 151 TRP C CE3 1 +ATOM 9510 C CZ2 . TRP C 3 133 ? 53.171 -72.840 -40.646 1.00 58.47 ? 151 TRP C CZ2 1 +ATOM 9511 C CZ3 . TRP C 3 133 ? 54.732 -71.165 -41.415 1.00 63.22 ? 151 TRP C CZ3 1 +ATOM 9512 C CH2 . TRP C 3 133 ? 53.636 -72.013 -41.630 1.00 71.99 ? 151 TRP C CH2 1 +ATOM 9513 N N . LYS C 3 134 ? 59.368 -71.316 -35.713 1.00 66.06 ? 152 LYS C N 1 +ATOM 9514 C CA . LYS C 3 134 ? 60.232 -70.460 -34.912 1.00 71.15 ? 152 LYS C CA 1 +ATOM 9515 C C . LYS C 3 134 ? 61.673 -70.446 -35.397 1.00 71.65 ? 152 LYS C C 1 +ATOM 9516 O O . LYS C 3 134 ? 62.484 -69.691 -34.852 1.00 80.56 ? 152 LYS C O 1 +ATOM 9517 C CB . LYS C 3 134 ? 60.188 -70.878 -33.445 1.00 71.58 ? 152 LYS C CB 1 +ATOM 9518 C CG . LYS C 3 134 ? 58.834 -70.689 -32.783 1.00 87.72 ? 152 LYS C CG 1 +ATOM 9519 C CD . LYS C 3 134 ? 58.942 -70.947 -31.286 1.00 100.30 ? 152 LYS C CD 1 +ATOM 9520 C CE . LYS C 3 134 ? 57.803 -71.819 -30.781 1.00 125.94 ? 152 LYS C CE 1 +ATOM 9521 N NZ . LYS C 3 134 ? 58.258 -72.797 -29.744 1.00 124.40 ? 152 LYS C NZ 1 +ATOM 9522 N N . ASP C 3 135 ? 62.010 -71.235 -36.411 1.00 69.18 ? 153 ASP C N 1 +ATOM 9523 C CA . ASP C 3 135 ? 63.378 -71.281 -36.919 1.00 66.75 ? 153 ASP C CA 1 +ATOM 9524 C C . ASP C 3 135 ? 63.536 -70.149 -37.921 1.00 73.07 ? 153 ASP C C 1 +ATOM 9525 O O . ASP C 3 135 ? 63.229 -70.286 -39.107 1.00 69.94 ? 153 ASP C O 1 +ATOM 9526 C CB . ASP C 3 135 ? 63.676 -72.643 -37.535 1.00 69.79 ? 153 ASP C CB 1 +ATOM 9527 C CG . ASP C 3 135 ? 65.083 -72.741 -38.098 1.00 68.18 ? 153 ASP C CG 1 +ATOM 9528 O OD1 . ASP C 3 135 ? 65.837 -71.740 -38.059 1.00 66.37 ? 153 ASP C OD1 1 +ATOM 9529 O OD2 . ASP C 3 135 ? 65.435 -73.837 -38.588 1.00 77.63 ? 153 ASP C OD2 1 +ATOM 9530 N N . LYS C 3 136 ? 64.055 -69.019 -37.432 1.00 77.82 ? 154 LYS C N 1 +ATOM 9531 C CA . LYS C 3 136 ? 64.167 -67.830 -38.269 1.00 70.57 ? 154 LYS C CA 1 +ATOM 9532 C C . LYS C 3 136 ? 65.057 -68.073 -39.475 1.00 75.90 ? 154 LYS C C 1 +ATOM 9533 O O . LYS C 3 136 ? 64.879 -67.430 -40.520 1.00 84.26 ? 154 LYS C O 1 +ATOM 9534 C CB . LYS C 3 136 ? 64.704 -66.652 -37.456 1.00 61.23 ? 154 LYS C CB 1 +ATOM 9535 C CG . LYS C 3 136 ? 63.879 -66.302 -36.220 1.00 63.74 ? 154 LYS C CG 1 +ATOM 9536 C CD . LYS C 3 136 ? 64.367 -64.987 -35.599 1.00 60.48 ? 154 LYS C CD 1 +ATOM 9537 C CE . LYS C 3 136 ? 63.666 -64.689 -34.291 1.00 68.30 ? 154 LYS C CE 1 +ATOM 9538 N NZ . LYS C 3 136 ? 63.823 -65.790 -33.298 1.00 59.40 ? 154 LYS C NZ 1 +ATOM 9539 N N . ASN C 3 137 ? 66.026 -68.981 -39.359 1.00 78.50 ? 155 ASN C N 1 +ATOM 9540 C CA . ASN C 3 137 ? 66.910 -69.230 -40.491 1.00 71.61 ? 155 ASN C CA 1 +ATOM 9541 C C . ASN C 3 137 ? 66.184 -70.013 -41.580 1.00 70.50 ? 155 ASN C C 1 +ATOM 9542 O O . ASN C 3 137 ? 66.236 -69.645 -42.759 1.00 67.21 ? 155 ASN C O 1 +ATOM 9543 C CB . ASN C 3 137 ? 68.170 -69.959 -40.018 1.00 79.01 ? 155 ASN C CB 1 +ATOM 9544 C CG . ASN C 3 137 ? 69.053 -70.410 -41.174 1.00 85.25 ? 155 ASN C CG 1 +ATOM 9545 O OD1 . ASN C 3 137 ? 69.548 -69.599 -41.961 1.00 70.82 ? 155 ASN C OD1 1 +ATOM 9546 N ND2 . ASN C 3 137 ? 69.250 -71.722 -41.279 1.00 91.33 ? 155 ASN C ND2 1 +ATOM 9547 N N . LYS C 3 138 ? 65.480 -71.084 -41.193 1.00 69.16 ? 156 LYS C N 1 +ATOM 9548 C CA . LYS C 3 138 ? 64.751 -71.887 -42.167 1.00 68.59 ? 156 LYS C CA 1 +ATOM 9549 C C . LYS C 3 138 ? 63.653 -71.075 -42.853 1.00 71.02 ? 156 LYS C C 1 +ATOM 9550 O O . LYS C 3 138 ? 63.466 -71.178 -44.071 1.00 68.77 ? 156 LYS C O 1 +ATOM 9551 C CB . LYS C 3 138 ? 64.169 -73.128 -41.482 1.00 66.10 ? 156 LYS C CB 1 +ATOM 9552 C CG . LYS C 3 138 ? 63.575 -74.162 -42.457 1.00 65.27 ? 156 LYS C CG 1 +ATOM 9553 C CD . LYS C 3 138 ? 64.471 -74.332 -43.692 1.00 68.65 ? 156 LYS C CD 1 +ATOM 9554 C CE . LYS C 3 138 ? 64.053 -75.535 -44.524 1.00 79.02 ? 156 LYS C CE 1 +ATOM 9555 N NZ . LYS C 3 138 ? 64.140 -76.828 -43.744 1.00 82.58 ? 156 LYS C NZ 1 +ATOM 9556 N N . MET C 3 139 ? 62.934 -70.239 -42.094 1.00 72.41 ? 157 MET C N 1 +ATOM 9557 C CA . MET C 3 139 ? 61.832 -69.478 -42.682 1.00 65.30 ? 157 MET C CA 1 +ATOM 9558 C C . MET C 3 139 ? 62.320 -68.457 -43.702 1.00 62.20 ? 157 MET C C 1 +ATOM 9559 O O . MET C 3 139 ? 61.667 -68.253 -44.732 1.00 64.71 ? 157 MET C O 1 +ATOM 9560 C CB . MET C 3 139 ? 61.016 -68.786 -41.594 1.00 68.32 ? 157 MET C CB 1 +ATOM 9561 C CG . MET C 3 139 ? 60.248 -69.716 -40.673 1.00 69.25 ? 157 MET C CG 1 +ATOM 9562 S SD . MET C 3 139 ? 58.911 -70.650 -41.441 1.00 72.80 ? 157 MET C SD 1 +ATOM 9563 C CE . MET C 3 139 ? 59.765 -72.111 -41.958 1.00 79.42 ? 157 MET C CE 1 +ATOM 9564 N N . THR C 3 140 ? 63.450 -67.786 -43.443 1.00 60.64 ? 158 THR C N 1 +ATOM 9565 C CA . THR C 3 140 ? 63.955 -66.865 -44.460 1.00 62.63 ? 158 THR C CA 1 +ATOM 9566 C C . THR C 3 140 ? 64.536 -67.606 -45.660 1.00 69.28 ? 158 THR C C 1 +ATOM 9567 O O . THR C 3 140 ? 64.603 -67.033 -46.753 1.00 68.05 ? 158 THR C O 1 +ATOM 9568 C CB . THR C 3 140 ? 65.004 -65.909 -43.887 1.00 63.04 ? 158 THR C CB 1 +ATOM 9569 O OG1 . THR C 3 140 ? 65.956 -66.641 -43.116 1.00 68.97 ? 158 THR C OG1 1 +ATOM 9570 C CG2 . THR C 3 140 ? 64.340 -64.830 -43.007 1.00 62.88 ? 158 THR C CG2 1 +ATOM 9571 N N . THR C 3 141 ? 64.947 -68.866 -45.483 1.00 68.88 ? 159 THR C N 1 +ATOM 9572 C CA . THR C 3 141 ? 65.430 -69.643 -46.618 1.00 70.46 ? 159 THR C CA 1 +ATOM 9573 C C . THR C 3 141 ? 64.278 -70.026 -47.535 1.00 60.23 ? 159 THR C C 1 +ATOM 9574 O O . THR C 3 141 ? 64.382 -69.894 -48.759 1.00 62.42 ? 159 THR C O 1 +ATOM 9575 C CB . THR C 3 141 ? 66.193 -70.875 -46.121 1.00 68.60 ? 159 THR C CB 1 +ATOM 9576 O OG1 . THR C 3 141 ? 67.503 -70.471 -45.705 1.00 72.58 ? 159 THR C OG1 1 +ATOM 9577 C CG2 . THR C 3 141 ? 66.329 -71.924 -47.218 1.00 59.76 ? 159 THR C CG2 1 +ATOM 9578 N N . ILE C 3 142 ? 63.163 -70.484 -46.960 1.00 65.28 ? 160 ILE C N 1 +ATOM 9579 C CA . ILE C 3 142 ? 61.976 -70.763 -47.762 1.00 66.25 ? 160 ILE C CA 1 +ATOM 9580 C C . ILE C 3 142 ? 61.492 -69.495 -48.451 1.00 77.41 ? 160 ILE C C 1 +ATOM 9581 O O . ILE C 3 142 ? 61.143 -69.507 -49.641 1.00 64.42 ? 160 ILE C O 1 +ATOM 9582 C CB . ILE C 3 142 ? 60.875 -71.384 -46.886 1.00 72.23 ? 160 ILE C CB 1 +ATOM 9583 C CG1 . ILE C 3 142 ? 61.345 -72.720 -46.316 1.00 65.93 ? 160 ILE C CG1 1 +ATOM 9584 C CG2 . ILE C 3 142 ? 59.590 -71.578 -47.708 1.00 64.29 ? 160 ILE C CG2 1 +ATOM 9585 C CD1 . ILE C 3 142 ? 60.296 -73.420 -45.483 1.00 67.46 ? 160 ILE C CD1 1 +ATOM 9586 N N . LEU C 3 143 ? 61.464 -68.380 -47.708 1.00 65.05 ? 161 LEU C N 1 +ATOM 9587 C CA . LEU C 3 143 ? 61.183 -67.076 -48.301 1.00 60.94 ? 161 LEU C CA 1 +ATOM 9588 C C . LEU C 3 143 ? 62.130 -66.776 -49.454 1.00 61.25 ? 161 LEU C C 1 +ATOM 9589 O O . LEU C 3 143 ? 61.702 -66.284 -50.506 1.00 70.64 ? 161 LEU C O 1 +ATOM 9590 C CB . LEU C 3 143 ? 61.289 -65.992 -47.228 1.00 58.55 ? 161 LEU C CB 1 +ATOM 9591 C CG . LEU C 3 143 ? 61.279 -64.521 -47.651 1.00 67.50 ? 161 LEU C CG 1 +ATOM 9592 C CD1 . LEU C 3 143 ? 59.927 -64.135 -48.270 1.00 57.81 ? 161 LEU C CD1 1 +ATOM 9593 C CD2 . LEU C 3 143 ? 61.645 -63.620 -46.472 1.00 57.55 ? 161 LEU C CD2 1 +ATOM 9594 N N . GLY C 3 144 ? 63.421 -67.066 -49.276 1.00 70.33 ? 162 GLY C N 1 +ATOM 9595 C CA . GLY C 3 144 ? 64.392 -66.790 -50.326 1.00 63.87 ? 162 GLY C CA 1 +ATOM 9596 C C . GLY C 3 144 ? 64.157 -67.605 -51.587 1.00 71.70 ? 162 GLY C C 1 +ATOM 9597 O O . GLY C 3 144 ? 64.311 -67.092 -52.698 1.00 68.45 ? 162 GLY C O 1 +ATOM 9598 N N . PHE C 3 145 ? 63.794 -68.889 -51.438 1.00 56.25 ? 163 PHE C N 1 +ATOM 9599 C CA . PHE C 3 145 ? 63.479 -69.700 -52.614 1.00 65.07 ? 163 PHE C CA 1 +ATOM 9600 C C . PHE C 3 145 ? 62.341 -69.087 -53.406 1.00 60.43 ? 163 PHE C C 1 +ATOM 9601 O O . PHE C 3 145 ? 62.385 -69.033 -54.641 1.00 67.94 ? 163 PHE C O 1 +ATOM 9602 C CB . PHE C 3 145 ? 63.098 -71.134 -52.218 1.00 61.73 ? 163 PHE C CB 1 +ATOM 9603 C CG . PHE C 3 145 ? 64.233 -71.938 -51.647 1.00 75.92 ? 163 PHE C CG 1 +ATOM 9604 C CD1 . PHE C 3 145 ? 65.525 -71.777 -52.121 1.00 85.95 ? 163 PHE C CD1 1 +ATOM 9605 C CD2 . PHE C 3 145 ? 64.004 -72.856 -50.629 1.00 79.57 ? 163 PHE C CD2 1 +ATOM 9606 C CE1 . PHE C 3 145 ? 66.573 -72.512 -51.595 1.00 79.88 ? 163 PHE C CE1 1 +ATOM 9607 C CE2 . PHE C 3 145 ? 65.045 -73.601 -50.098 1.00 82.98 ? 163 PHE C CE2 1 +ATOM 9608 C CZ . PHE C 3 145 ? 66.334 -73.428 -50.579 1.00 74.50 ? 163 PHE C CZ 1 +ATOM 9609 N N . HIS C 3 146 ? 61.306 -68.627 -52.707 1.00 64.97 ? 164 HIS C N 1 +ATOM 9610 C CA . HIS C 3 146 ? 60.125 -68.121 -53.384 1.00 62.43 ? 164 HIS C CA 1 +ATOM 9611 C C . HIS C 3 146 ? 60.360 -66.738 -53.983 1.00 57.20 ? 164 HIS C C 1 +ATOM 9612 O O . HIS C 3 146 ? 59.727 -66.387 -54.983 1.00 67.08 ? 164 HIS C O 1 +ATOM 9613 C CB . HIS C 3 146 ? 58.954 -68.133 -52.414 1.00 51.60 ? 164 HIS C CB 1 +ATOM 9614 C CG . HIS C 3 146 ? 58.542 -69.509 -52.011 1.00 53.50 ? 164 HIS C CG 1 +ATOM 9615 N ND1 . HIS C 3 146 ? 57.740 -69.759 -50.920 1.00 61.20 ? 164 HIS C ND1 1 +ATOM 9616 C CD2 . HIS C 3 146 ? 58.826 -70.718 -52.557 1.00 63.26 ? 164 HIS C CD2 1 +ATOM 9617 C CE1 . HIS C 3 146 ? 57.545 -71.064 -50.811 1.00 63.91 ? 164 HIS C CE1 1 +ATOM 9618 N NE2 . HIS C 3 146 ? 58.195 -71.670 -51.792 1.00 66.26 ? 164 HIS C NE2 1 +ATOM 9619 N N . LEU C 3 147 ? 61.271 -65.951 -53.408 1.00 60.82 ? 165 LEU C N 1 +ATOM 9620 C CA . LEU C 3 147 ? 61.652 -64.687 -54.037 1.00 57.24 ? 165 LEU C CA 1 +ATOM 9621 C C . LEU C 3 147 ? 62.386 -64.919 -55.354 1.00 64.73 ? 165 LEU C C 1 +ATOM 9622 O O . LEU C 3 147 ? 62.226 -64.142 -56.301 1.00 67.87 ? 165 LEU C O 1 +ATOM 9623 C CB . LEU C 3 147 ? 62.520 -63.862 -53.082 1.00 57.26 ? 165 LEU C CB 1 +ATOM 9624 C CG . LEU C 3 147 ? 61.796 -63.021 -52.025 1.00 67.14 ? 165 LEU C CG 1 +ATOM 9625 C CD1 . LEU C 3 147 ? 62.735 -62.602 -50.907 1.00 68.03 ? 165 LEU C CD1 1 +ATOM 9626 C CD2 . LEU C 3 147 ? 61.176 -61.802 -52.680 1.00 54.76 ? 165 LEU C CD2 1 +ATOM 9627 N N . ILE C 3 148 ? 63.204 -65.973 -55.431 1.00 63.02 ? 166 ILE C N 1 +ATOM 9628 C CA . ILE C 3 148 ? 63.892 -66.288 -56.682 1.00 67.75 ? 166 ILE C CA 1 +ATOM 9629 C C . ILE C 3 148 ? 62.895 -66.750 -57.740 1.00 58.99 ? 166 ILE C C 1 +ATOM 9630 O O . ILE C 3 148 ? 62.994 -66.371 -58.913 1.00 62.46 ? 166 ILE C O 1 +ATOM 9631 C CB . ILE C 3 148 ? 64.994 -67.340 -56.437 1.00 71.29 ? 166 ILE C CB 1 +ATOM 9632 C CG1 . ILE C 3 148 ? 66.188 -66.697 -55.731 1.00 60.24 ? 166 ILE C CG1 1 +ATOM 9633 C CG2 . ILE C 3 148 ? 65.433 -67.990 -57.766 1.00 64.83 ? 166 ILE C CG2 1 +ATOM 9634 C CD1 . ILE C 3 148 ? 67.128 -67.685 -55.134 1.00 65.50 ? 166 ILE C CD1 1 +ATOM 9635 N N . VAL C 3 149 ? 61.924 -67.578 -57.346 1.00 60.03 ? 167 VAL C N 1 +ATOM 9636 C CA . VAL C 3 149 ? 60.874 -67.992 -58.275 1.00 65.85 ? 167 VAL C CA 1 +ATOM 9637 C C . VAL C 3 149 ? 60.099 -66.777 -58.790 1.00 74.21 ? 167 VAL C C 1 +ATOM 9638 O O . VAL C 3 149 ? 59.873 -66.635 -59.998 1.00 70.88 ? 167 VAL C O 1 +ATOM 9639 C CB . VAL C 3 149 ? 59.942 -69.015 -57.607 1.00 70.24 ? 167 VAL C CB 1 +ATOM 9640 C CG1 . VAL C 3 149 ? 58.700 -69.244 -58.469 1.00 73.11 ? 167 VAL C CG1 1 +ATOM 9641 C CG2 . VAL C 3 149 ? 60.685 -70.323 -57.377 1.00 89.47 ? 167 VAL C CG2 1 +ATOM 9642 N N . LEU C 3 150 ? 59.691 -65.873 -57.882 1.00 62.50 ? 168 LEU C N 1 +ATOM 9643 C CA . LEU C 3 150 ? 58.973 -64.673 -58.312 1.00 63.92 ? 168 LEU C CA 1 +ATOM 9644 C C . LEU C 3 150 ? 59.814 -63.831 -59.261 1.00 60.82 ? 168 LEU C C 1 +ATOM 9645 O O . LEU C 3 150 ? 59.297 -63.296 -60.250 1.00 61.60 ? 168 LEU C O 1 +ATOM 9646 C CB . LEU C 3 150 ? 58.557 -63.836 -57.107 1.00 65.34 ? 168 LEU C CB 1 +ATOM 9647 C CG . LEU C 3 150 ? 57.446 -64.388 -56.223 1.00 65.00 ? 168 LEU C CG 1 +ATOM 9648 C CD1 . LEU C 3 150 ? 57.362 -63.556 -54.953 1.00 55.61 ? 168 LEU C CD1 1 +ATOM 9649 C CD2 . LEU C 3 150 ? 56.139 -64.362 -56.981 1.00 60.68 ? 168 LEU C CD2 1 +ATOM 9650 N N . GLY C 3 151 ? 61.111 -63.697 -58.973 1.00 57.33 ? 169 GLY C N 1 +ATOM 9651 C CA . GLY C 3 151 ? 61.977 -62.917 -59.849 1.00 62.97 ? 169 GLY C CA 1 +ATOM 9652 C C . GLY C 3 151 ? 62.101 -63.513 -61.242 1.00 62.86 ? 169 GLY C C 1 +ATOM 9653 O O . GLY C 3 151 ? 62.135 -62.784 -62.239 1.00 71.64 ? 169 GLY C O 1 +ATOM 9654 N N . ILE C 3 152 ? 62.180 -64.844 -61.328 1.00 66.55 ? 170 ILE C N 1 +ATOM 9655 C CA . ILE C 3 152 ? 62.136 -65.521 -62.623 1.00 64.86 ? 170 ILE C CA 1 +ATOM 9656 C C . ILE C 3 152 ? 60.832 -65.198 -63.338 1.00 63.16 ? 170 ILE C C 1 +ATOM 9657 O O . ILE C 3 152 ? 60.806 -64.985 -64.554 1.00 67.15 ? 170 ILE C O 1 +ATOM 9658 C CB . ILE C 3 152 ? 62.304 -67.044 -62.443 1.00 66.89 ? 170 ILE C CB 1 +ATOM 9659 C CG1 . ILE C 3 152 ? 63.727 -67.418 -62.016 1.00 71.70 ? 170 ILE C CG1 1 +ATOM 9660 C CG2 . ILE C 3 152 ? 61.922 -67.784 -63.713 1.00 73.48 ? 170 ILE C CG2 1 +ATOM 9661 C CD1 . ILE C 3 152 ? 63.841 -68.881 -61.533 1.00 65.57 ? 170 ILE C CD1 1 +ATOM 9662 N N . GLY C 3 153 ? 59.724 -65.173 -62.595 1.00 69.89 ? 171 GLY C N 1 +ATOM 9663 C CA . GLY C 3 153 ? 58.437 -64.897 -63.212 1.00 62.74 ? 171 GLY C CA 1 +ATOM 9664 C C . GLY C 3 153 ? 58.384 -63.523 -63.848 1.00 65.06 ? 171 GLY C C 1 +ATOM 9665 O O . GLY C 3 153 ? 57.880 -63.365 -64.961 1.00 60.76 ? 171 GLY C O 1 +ATOM 9666 N N . ALA C 3 154 ? 58.912 -62.508 -63.155 1.00 62.66 ? 172 ALA C N 1 +ATOM 9667 C CA . ALA C 3 154 ? 58.951 -61.176 -63.745 1.00 59.87 ? 172 ALA C CA 1 +ATOM 9668 C C . ALA C 3 154 ? 59.826 -61.147 -64.990 1.00 59.45 ? 172 ALA C C 1 +ATOM 9669 O O . ALA C 3 154 ? 59.554 -60.384 -65.925 1.00 72.14 ? 172 ALA C O 1 +ATOM 9670 C CB . ALA C 3 154 ? 59.444 -60.154 -62.723 1.00 55.54 ? 172 ALA C CB 1 +ATOM 9671 N N . LEU C 3 155 ? 60.870 -61.972 -65.032 1.00 69.43 ? 173 LEU C N 1 +ATOM 9672 C CA . LEU C 3 155 ? 61.722 -61.985 -66.213 1.00 65.78 ? 173 LEU C CA 1 +ATOM 9673 C C . LEU C 3 155 ? 61.076 -62.713 -67.380 1.00 58.59 ? 173 LEU C C 1 +ATOM 9674 O O . LEU C 3 155 ? 61.428 -62.440 -68.534 1.00 65.79 ? 173 LEU C O 1 +ATOM 9675 C CB . LEU C 3 155 ? 63.080 -62.597 -65.865 1.00 67.09 ? 173 LEU C CB 1 +ATOM 9676 C CG . LEU C 3 155 ? 63.861 -61.738 -64.861 1.00 68.57 ? 173 LEU C CG 1 +ATOM 9677 C CD1 . LEU C 3 155 ? 65.260 -62.281 -64.627 1.00 66.18 ? 173 LEU C CD1 1 +ATOM 9678 C CD2 . LEU C 3 155 ? 63.910 -60.277 -65.299 1.00 55.33 ? 173 LEU C CD2 1 +ATOM 9679 N N . LEU C 3 156 ? 60.119 -63.608 -67.117 1.00 62.41 ? 174 LEU C N 1 +ATOM 9680 C CA . LEU C 3 156 ? 59.386 -64.230 -68.218 1.00 61.40 ? 174 LEU C CA 1 +ATOM 9681 C C . LEU C 3 156 ? 58.572 -63.199 -68.988 1.00 69.35 ? 174 LEU C C 1 +ATOM 9682 O O . LEU C 3 156 ? 58.457 -63.281 -70.218 1.00 67.13 ? 174 LEU C O 1 +ATOM 9683 C CB . LEU C 3 156 ? 58.490 -65.349 -67.691 1.00 63.50 ? 174 LEU C CB 1 +ATOM 9684 C CG . LEU C 3 156 ? 59.259 -66.520 -67.083 1.00 75.06 ? 174 LEU C CG 1 +ATOM 9685 C CD1 . LEU C 3 156 ? 58.318 -67.595 -66.557 1.00 59.81 ? 174 LEU C CD1 1 +ATOM 9686 C CD2 . LEU C 3 156 ? 60.214 -67.099 -68.124 1.00 75.19 ? 174 LEU C CD2 1 +ATOM 9687 N N . LEU C 3 157 ? 58.015 -62.206 -68.288 1.00 72.90 ? 175 LEU C N 1 +ATOM 9688 C CA . LEU C 3 157 ? 57.327 -61.128 -68.991 1.00 62.43 ? 175 LEU C CA 1 +ATOM 9689 C C . LEU C 3 157 ? 58.300 -60.329 -69.851 1.00 64.48 ? 175 LEU C C 1 +ATOM 9690 O O . LEU C 3 157 ? 57.964 -59.946 -70.977 1.00 60.31 ? 175 LEU C O 1 +ATOM 9691 C CB . LEU C 3 157 ? 56.608 -60.212 -67.999 1.00 65.71 ? 175 LEU C CB 1 +ATOM 9692 C CG . LEU C 3 157 ? 55.993 -58.958 -68.639 1.00 59.35 ? 175 LEU C CG 1 +ATOM 9693 C CD1 . LEU C 3 157 ? 54.708 -59.295 -69.350 1.00 51.54 ? 175 LEU C CD1 1 +ATOM 9694 C CD2 . LEU C 3 157 ? 55.772 -57.852 -67.621 1.00 77.73 ? 175 LEU C CD2 1 +ATOM 9695 N N . VAL C 3 158 ? 59.509 -60.062 -69.336 1.00 62.93 ? 176 VAL C N 1 +ATOM 9696 C CA . VAL C 3 158 ? 60.517 -59.357 -70.130 1.00 61.01 ? 176 VAL C CA 1 +ATOM 9697 C C . VAL C 3 158 ? 60.879 -60.172 -71.366 1.00 73.68 ? 176 VAL C C 1 +ATOM 9698 O O . VAL C 3 158 ? 61.030 -59.627 -72.471 1.00 64.98 ? 176 VAL C O 1 +ATOM 9699 C CB . VAL C 3 158 ? 61.767 -59.055 -69.283 1.00 72.22 ? 176 VAL C CB 1 +ATOM 9700 C CG1 . VAL C 3 158 ? 62.853 -58.429 -70.145 1.00 59.89 ? 176 VAL C CG1 1 +ATOM 9701 C CG2 . VAL C 3 158 ? 61.434 -58.137 -68.111 1.00 64.10 ? 176 VAL C CG2 1 +ATOM 9702 N N . ALA C 3 159 ? 61.026 -61.490 -71.192 1.00 63.36 ? 177 ALA C N 1 +ATOM 9703 C CA . ALA C 3 159 ? 61.359 -62.364 -72.310 1.00 63.87 ? 177 ALA C CA 1 +ATOM 9704 C C . ALA C 3 159 ? 60.264 -62.338 -73.368 1.00 71.13 ? 177 ALA C C 1 +ATOM 9705 O O . ALA C 3 159 ? 60.552 -62.261 -74.570 1.00 66.81 ? 177 ALA C O 1 +ATOM 9706 C CB . ALA C 3 159 ? 61.596 -63.790 -71.805 1.00 56.44 ? 177 ALA C CB 1 +ATOM 9707 N N . LYS C 3 160 ? 58.999 -62.399 -72.944 1.00 63.49 ? 178 LYS C N 1 +ATOM 9708 C CA . LYS C 3 160 ? 57.909 -62.250 -73.904 1.00 71.10 ? 178 LYS C CA 1 +ATOM 9709 C C . LYS C 3 160 ? 58.014 -60.927 -74.647 1.00 73.30 ? 178 LYS C C 1 +ATOM 9710 O O . LYS C 3 160 ? 57.809 -60.875 -75.863 1.00 73.47 ? 178 LYS C O 1 +ATOM 9711 C CB . LYS C 3 160 ? 56.553 -62.345 -73.209 1.00 55.69 ? 178 LYS C CB 1 +ATOM 9712 C CG . LYS C 3 160 ? 55.386 -62.189 -74.159 1.00 56.58 ? 178 LYS C CG 1 +ATOM 9713 C CD . LYS C 3 160 ? 55.260 -63.419 -75.056 1.00 68.92 ? 178 LYS C CD 1 +ATOM 9714 C CE . LYS C 3 160 ? 54.083 -63.320 -76.012 1.00 60.35 ? 178 LYS C CE 1 +ATOM 9715 N NZ . LYS C 3 160 ? 54.260 -62.186 -76.966 1.00 63.16 ? 178 LYS C NZ 1 +ATOM 9716 N N . ALA C 3 161 ? 58.349 -59.846 -73.931 1.00 65.48 ? 179 ALA C N 1 +ATOM 9717 C CA . ALA C 3 161 ? 58.315 -58.520 -74.538 1.00 70.77 ? 179 ALA C CA 1 +ATOM 9718 C C . ALA C 3 161 ? 59.466 -58.318 -75.512 1.00 65.94 ? 179 ALA C C 1 +ATOM 9719 O O . ALA C 3 161 ? 59.315 -57.636 -76.536 1.00 67.74 ? 179 ALA C O 1 +ATOM 9720 C CB . ALA C 3 161 ? 58.357 -57.444 -73.452 1.00 54.45 ? 179 ALA C CB 1 +ATOM 9721 N N . MET C 3 162 ? 60.630 -58.866 -75.189 1.00 66.69 ? 180 MET C N 1 +ATOM 9722 C CA . MET C 3 162 ? 61.837 -58.567 -75.938 1.00 69.54 ? 180 MET C CA 1 +ATOM 9723 C C . MET C 3 162 ? 62.213 -59.638 -76.956 1.00 71.23 ? 180 MET C C 1 +ATOM 9724 O O . MET C 3 162 ? 62.918 -59.319 -77.919 1.00 75.83 ? 180 MET C O 1 +ATOM 9725 C CB . MET C 3 162 ? 63.008 -58.354 -74.972 1.00 71.73 ? 180 MET C CB 1 +ATOM 9726 C CG . MET C 3 162 ? 62.803 -57.207 -73.987 1.00 73.83 ? 180 MET C CG 1 +ATOM 9727 S SD . MET C 3 162 ? 64.273 -56.826 -73.018 1.00 74.45 ? 180 MET C SD 1 +ATOM 9728 C CE . MET C 3 162 ? 65.341 -56.209 -74.317 1.00 63.81 ? 180 MET C CE 1 +ATOM 9729 N N . PHE C 3 163 ? 61.762 -60.886 -76.788 1.00 64.18 ? 181 PHE C N 1 +ATOM 9730 C CA . PHE C 3 163 ? 62.265 -61.993 -77.598 1.00 71.80 ? 181 PHE C CA 1 +ATOM 9731 C C . PHE C 3 163 ? 61.194 -62.897 -78.186 1.00 85.74 ? 181 PHE C C 1 +ATOM 9732 O O . PHE C 3 163 ? 61.507 -63.642 -79.124 1.00 84.41 ? 181 PHE C O 1 +ATOM 9733 C CB . PHE C 3 163 ? 63.229 -62.870 -76.782 1.00 64.81 ? 181 PHE C CB 1 +ATOM 9734 C CG . PHE C 3 163 ? 64.340 -62.098 -76.129 1.00 72.06 ? 181 PHE C CG 1 +ATOM 9735 C CD1 . PHE C 3 163 ? 65.231 -61.361 -76.893 1.00 73.04 ? 181 PHE C CD1 1 +ATOM 9736 C CD2 . PHE C 3 163 ? 64.487 -62.094 -74.750 1.00 93.48 ? 181 PHE C CD2 1 +ATOM 9737 C CE1 . PHE C 3 163 ? 66.252 -60.641 -76.293 1.00 82.54 ? 181 PHE C CE1 1 +ATOM 9738 C CE2 . PHE C 3 163 ? 65.507 -61.377 -74.139 1.00 79.73 ? 181 PHE C CE2 1 +ATOM 9739 C CZ . PHE C 3 163 ? 66.391 -60.650 -74.912 1.00 87.77 ? 181 PHE C CZ 1 +ATOM 9740 N N . PHE C 3 164 ? 59.957 -62.858 -77.695 1.00 60.94 ? 182 PHE C N 1 +ATOM 9741 C CA . PHE C 3 164 ? 58.946 -63.824 -78.086 1.00 73.75 ? 182 PHE C CA 1 +ATOM 9742 C C . PHE C 3 164 ? 57.681 -63.126 -78.541 1.00 55.73 ? 182 PHE C C 1 +ATOM 9743 O O . PHE C 3 164 ? 56.566 -63.478 -78.148 1.00 73.94 ? 182 PHE C O 1 +ATOM 9744 C CB . PHE C 3 164 ? 58.642 -64.791 -76.954 1.00 69.14 ? 182 PHE C CB 1 +ATOM 9745 C CG . PHE C 3 164 ? 59.800 -65.662 -76.585 1.00 91.67 ? 182 PHE C CG 1 +ATOM 9746 C CD1 . PHE C 3 164 ? 60.115 -66.777 -77.354 1.00 90.64 ? 182 PHE C CD1 1 +ATOM 9747 C CD2 . PHE C 3 164 ? 60.575 -65.374 -75.472 1.00 75.49 ? 182 PHE C CD2 1 +ATOM 9748 C CE1 . PHE C 3 164 ? 61.187 -67.595 -77.016 1.00 87.93 ? 182 PHE C CE1 1 +ATOM 9749 C CE2 . PHE C 3 164 ? 61.648 -66.187 -75.125 1.00 97.79 ? 182 PHE C CE2 1 +ATOM 9750 C CZ . PHE C 3 164 ? 61.955 -67.300 -75.900 1.00 88.88 ? 182 PHE C CZ 1 +ATOM 9751 N N . GLY C 3 165 ? 57.825 -62.137 -79.412 1.00 60.95 ? 183 GLY C N 1 +ATOM 9752 C CA . GLY C 3 165 ? 56.693 -61.540 -80.087 1.00 72.66 ? 183 GLY C CA 1 +ATOM 9753 C C . GLY C 3 165 ? 56.283 -60.175 -79.583 1.00 64.59 ? 183 GLY C C 1 +ATOM 9754 O O . GLY C 3 165 ? 55.627 -59.439 -80.325 1.00 67.35 ? 183 GLY C O 1 +ATOM 9755 N N . GLY C 3 166 ? 56.642 -59.813 -78.349 1.00 79.71 ? 184 GLY C N 1 +ATOM 9756 C CA . GLY C 3 166 ? 56.327 -58.490 -77.826 1.00 64.28 ? 184 GLY C CA 1 +ATOM 9757 C C . GLY C 3 166 ? 55.026 -58.441 -77.043 1.00 63.88 ? 184 GLY C C 1 +ATOM 9758 O O . GLY C 3 166 ? 54.534 -59.442 -76.522 1.00 63.35 ? 184 GLY C O 1 +ATOM 9759 N N . LEU C 3 167 ? 54.459 -57.239 -76.969 1.00 68.19 ? 185 LEU C N 1 +ATOM 9760 C CA . LEU C 3 167 ? 53.276 -56.964 -76.159 1.00 63.68 ? 185 LEU C CA 1 +ATOM 9761 C C . LEU C 3 167 ? 52.307 -56.128 -76.971 1.00 60.27 ? 185 LEU C C 1 +ATOM 9762 O O . LEU C 3 167 ? 52.710 -55.403 -77.880 1.00 56.65 ? 185 LEU C O 1 +ATOM 9763 C CB . LEU C 3 167 ? 53.629 -56.206 -74.871 1.00 50.30 ? 185 LEU C CB 1 +ATOM 9764 C CG . LEU C 3 167 ? 54.589 -56.933 -73.946 1.00 51.63 ? 185 LEU C CG 1 +ATOM 9765 C CD1 . LEU C 3 167 ? 55.011 -56.009 -72.821 1.00 51.32 ? 185 LEU C CD1 1 +ATOM 9766 C CD2 . LEU C 3 167 ? 53.936 -58.206 -73.417 1.00 53.37 ? 185 LEU C CD2 1 +ATOM 9767 N N . TYR C 3 168 ? 51.027 -56.191 -76.624 1.00 53.18 ? 186 TYR C N 1 +ATOM 9768 C CA . TYR C 3 168 ? 50.095 -55.292 -77.287 1.00 59.46 ? 186 TYR C CA 1 +ATOM 9769 C C . TYR C 3 168 ? 50.308 -53.865 -76.792 1.00 58.90 ? 186 TYR C C 1 +ATOM 9770 O O . TYR C 3 168 ? 50.314 -53.601 -75.584 1.00 64.06 ? 186 TYR C O 1 +ATOM 9771 C CB . TYR C 3 168 ? 48.647 -55.706 -77.072 1.00 59.31 ? 186 TYR C CB 1 +ATOM 9772 C CG . TYR C 3 168 ? 47.753 -54.796 -77.874 1.00 68.71 ? 186 TYR C CG 1 +ATOM 9773 C CD1 . TYR C 3 168 ? 47.560 -55.022 -79.237 1.00 54.94 ? 186 TYR C CD1 1 +ATOM 9774 C CD2 . TYR C 3 168 ? 47.145 -53.677 -77.292 1.00 50.82 ? 186 TYR C CD2 1 +ATOM 9775 C CE1 . TYR C 3 168 ? 46.768 -54.183 -79.997 1.00 57.91 ? 186 TYR C CE1 1 +ATOM 9776 C CE2 . TYR C 3 168 ? 46.351 -52.820 -78.051 1.00 60.92 ? 186 TYR C CE2 1 +ATOM 9777 C CZ . TYR C 3 168 ? 46.165 -53.082 -79.408 1.00 63.90 ? 186 TYR C CZ 1 +ATOM 9778 O OH . TYR C 3 168 ? 45.373 -52.261 -80.180 1.00 56.94 ? 186 TYR C OH 1 +ATOM 9779 N N . ASP C 3 169 ? 50.488 -52.940 -77.725 1.00 64.33 ? 187 ASP C N 1 +ATOM 9780 C CA . ASP C 3 169 ? 50.809 -51.553 -77.403 1.00 52.04 ? 187 ASP C CA 1 +ATOM 9781 C C . ASP C 3 169 ? 49.677 -50.667 -77.911 1.00 68.25 ? 187 ASP C C 1 +ATOM 9782 O O . ASP C 3 169 ? 49.626 -50.344 -79.104 1.00 52.32 ? 187 ASP C O 1 +ATOM 9783 C CB . ASP C 3 169 ? 52.142 -51.158 -78.015 1.00 52.00 ? 187 ASP C CB 1 +ATOM 9784 C CG . ASP C 3 169 ? 52.539 -49.751 -77.681 1.00 60.85 ? 187 ASP C CG 1 +ATOM 9785 O OD1 . ASP C 3 169 ? 51.962 -49.156 -76.738 1.00 62.09 ? 187 ASP C OD1 1 +ATOM 9786 O OD2 . ASP C 3 169 ? 53.424 -49.229 -78.382 1.00 62.29 ? 187 ASP C OD2 1 +ATOM 9787 N N . THR C 3 170 ? 48.787 -50.256 -76.990 1.00 58.14 ? 188 THR C N 1 +ATOM 9788 C CA . THR C 3 170 ? 47.663 -49.404 -77.361 1.00 61.20 ? 188 THR C CA 1 +ATOM 9789 C C . THR C 3 170 ? 48.135 -48.072 -77.922 1.00 52.77 ? 188 THR C C 1 +ATOM 9790 O O . THR C 3 170 ? 47.392 -47.417 -78.665 1.00 53.72 ? 188 THR C O 1 +ATOM 9791 C CB . THR C 3 170 ? 46.729 -49.185 -76.151 1.00 58.53 ? 188 THR C CB 1 +ATOM 9792 O OG1 . THR C 3 170 ? 45.515 -48.558 -76.585 1.00 56.60 ? 188 THR C OG1 1 +ATOM 9793 C CG2 . THR C 3 170 ? 47.385 -48.298 -75.085 1.00 47.12 ? 188 THR C CG2 1 +ATOM 9794 N N . TRP C 3 171 ? 49.356 -47.664 -77.590 1.00 61.79 ? 189 TRP C N 1 +ATOM 9795 C CA . TRP C 3 171 ? 49.906 -46.385 -78.024 1.00 53.09 ? 189 TRP C CA 1 +ATOM 9796 C C . TRP C 3 171 ? 50.676 -46.476 -79.338 1.00 70.33 ? 189 TRP C C 1 +ATOM 9797 O O . TRP C 3 171 ? 51.237 -45.470 -79.768 1.00 65.85 ? 189 TRP C O 1 +ATOM 9798 C CB . TRP C 3 171 ? 50.845 -45.832 -76.954 1.00 55.99 ? 189 TRP C CB 1 +ATOM 9799 C CG . TRP C 3 171 ? 50.187 -45.490 -75.639 1.00 65.00 ? 189 TRP C CG 1 +ATOM 9800 C CD1 . TRP C 3 171 ? 50.171 -46.257 -74.502 1.00 58.03 ? 189 TRP C CD1 1 +ATOM 9801 C CD2 . TRP C 3 171 ? 49.463 -44.286 -75.326 1.00 57.29 ? 189 TRP C CD2 1 +ATOM 9802 N NE1 . TRP C 3 171 ? 49.485 -45.602 -73.502 1.00 63.51 ? 189 TRP C NE1 1 +ATOM 9803 C CE2 . TRP C 3 171 ? 49.039 -44.394 -73.979 1.00 60.73 ? 189 TRP C CE2 1 +ATOM 9804 C CE3 . TRP C 3 171 ? 49.139 -43.130 -76.050 1.00 55.60 ? 189 TRP C CE3 1 +ATOM 9805 C CZ2 . TRP C 3 171 ? 48.302 -43.392 -73.338 1.00 53.89 ? 189 TRP C CZ2 1 +ATOM 9806 C CZ3 . TRP C 3 171 ? 48.403 -42.123 -75.408 1.00 62.18 ? 189 TRP C CZ3 1 +ATOM 9807 C CH2 . TRP C 3 171 ? 47.991 -42.272 -74.059 1.00 57.88 ? 189 TRP C CH2 1 +ATOM 9808 N N . ALA C 3 172 ? 50.750 -47.650 -79.968 1.00 62.80 ? 190 ALA C N 1 +ATOM 9809 C CA . ALA C 3 172 ? 51.586 -47.792 -81.158 1.00 76.02 ? 190 ALA C CA 1 +ATOM 9810 C C . ALA C 3 172 ? 51.032 -46.937 -82.295 1.00 68.95 ? 190 ALA C C 1 +ATOM 9811 O O . ALA C 3 172 ? 49.820 -46.923 -82.532 1.00 71.60 ? 190 ALA C O 1 +ATOM 9812 C CB . ALA C 3 172 ? 51.673 -49.254 -81.601 1.00 55.18 ? 190 ALA C CB 1 +ATOM 9813 N N . PRO C 3 173 ? 51.890 -46.206 -83.000 1.00 89.20 ? 191 PRO C N 1 +ATOM 9814 C CA . PRO C 3 173 ? 51.436 -45.434 -84.166 1.00 92.42 ? 191 PRO C CA 1 +ATOM 9815 C C . PRO C 3 173 ? 50.653 -46.310 -85.131 1.00 87.18 ? 191 PRO C C 1 +ATOM 9816 O O . PRO C 3 173 ? 51.051 -47.435 -85.437 1.00 87.20 ? 191 PRO C O 1 +ATOM 9817 C CB . PRO C 3 173 ? 52.742 -44.941 -84.790 1.00 94.42 ? 191 PRO C CB 1 +ATOM 9818 C CG . PRO C 3 173 ? 53.722 -44.942 -83.649 1.00 105.37 ? 191 PRO C CG 1 +ATOM 9819 C CD . PRO C 3 173 ? 53.347 -46.125 -82.814 1.00 97.17 ? 191 PRO C CD 1 +ATOM 9820 N N . GLY C 3 174 ? 49.515 -45.804 -85.586 1.00 79.45 ? 192 GLY C N 1 +ATOM 9821 C CA . GLY C 3 174 ? 48.667 -46.538 -86.491 1.00 72.32 ? 192 GLY C CA 1 +ATOM 9822 C C . GLY C 3 174 ? 47.521 -47.297 -85.863 1.00 77.22 ? 192 GLY C C 1 +ATOM 9823 O O . GLY C 3 174 ? 46.964 -48.185 -86.518 1.00 118.95 ? 192 GLY C O 1 +ATOM 9824 N N . GLY C 3 175 ? 47.162 -47.005 -84.618 1.00 92.04 ? 193 GLY C N 1 +ATOM 9825 C CA . GLY C 3 175 ? 45.946 -47.544 -84.043 1.00 64.85 ? 193 GLY C CA 1 +ATOM 9826 C C . GLY C 3 175 ? 46.138 -48.597 -82.984 1.00 76.12 ? 193 GLY C C 1 +ATOM 9827 O O . GLY C 3 175 ? 45.137 -49.067 -82.423 1.00 81.75 ? 193 GLY C O 1 +ATOM 9828 N N . GLY C 3 176 ? 47.374 -48.978 -82.673 1.00 64.80 ? 194 GLY C N 1 +ATOM 9829 C CA . GLY C 3 176 ? 47.586 -50.019 -81.693 1.00 61.53 ? 194 GLY C CA 1 +ATOM 9830 C C . GLY C 3 176 ? 47.939 -51.339 -82.345 1.00 76.89 ? 194 GLY C C 1 +ATOM 9831 O O . GLY C 3 176 ? 47.301 -51.764 -83.316 1.00 58.17 ? 194 GLY C O 1 +ATOM 9832 N N . ASP C 3 177 ? 48.938 -52.018 -81.790 1.00 66.05 ? 195 ASP C N 1 +ATOM 9833 C CA . ASP C 3 177 ? 49.470 -53.191 -82.453 1.00 67.61 ? 195 ASP C CA 1 +ATOM 9834 C C . ASP C 3 177 ? 50.421 -53.887 -81.503 1.00 68.83 ? 195 ASP C C 1 +ATOM 9835 O O . ASP C 3 177 ? 50.900 -53.298 -80.532 1.00 63.04 ? 195 ASP C O 1 +ATOM 9836 C CB . ASP C 3 177 ? 50.201 -52.809 -83.735 1.00 71.53 ? 195 ASP C CB 1 +ATOM 9837 C CG . ASP C 3 177 ? 50.221 -53.925 -84.742 1.00 74.92 ? 195 ASP C CG 1 +ATOM 9838 O OD1 . ASP C 3 177 ? 49.808 -55.054 -84.394 1.00 70.31 ? 195 ASP C OD1 1 +ATOM 9839 O OD2 . ASP C 3 177 ? 50.633 -53.654 -85.885 1.00 77.05 ? 195 ASP C OD2 1 +ATOM 9840 N N . VAL C 3 178 ? 50.702 -55.150 -81.807 1.00 71.43 ? 196 VAL C N 1 +ATOM 9841 C CA . VAL C 3 178 ? 51.748 -55.856 -81.083 1.00 68.16 ? 196 VAL C CA 1 +ATOM 9842 C C . VAL C 3 178 ? 53.094 -55.313 -81.525 1.00 63.70 ? 196 VAL C C 1 +ATOM 9843 O O . VAL C 3 178 ? 53.349 -55.146 -82.724 1.00 77.34 ? 196 VAL C O 1 +ATOM 9844 C CB . VAL C 3 178 ? 51.647 -57.366 -81.313 1.00 59.51 ? 196 VAL C CB 1 +ATOM 9845 C CG1 . VAL C 3 178 ? 52.740 -58.079 -80.534 1.00 57.36 ? 196 VAL C CG1 1 +ATOM 9846 C CG2 . VAL C 3 178 ? 50.273 -57.857 -80.887 1.00 66.69 ? 196 VAL C CG2 1 +ATOM 9847 N N . ARG C 3 179 ? 53.955 -55.031 -80.560 1.00 61.86 ? 197 ARG C N 1 +ATOM 9848 C CA . ARG C 3 179 ? 55.242 -54.415 -80.808 1.00 63.22 ? 197 ARG C CA 1 +ATOM 9849 C C . ARG C 3 179 ? 56.279 -55.079 -79.915 1.00 74.51 ? 197 ARG C C 1 +ATOM 9850 O O . ARG C 3 179 ? 56.009 -55.367 -78.742 1.00 67.25 ? 197 ARG C O 1 +ATOM 9851 C CB . ARG C 3 179 ? 55.177 -52.901 -80.545 1.00 66.30 ? 197 ARG C CB 1 +ATOM 9852 C CG . ARG C 3 179 ? 56.513 -52.212 -80.516 1.00 67.97 ? 197 ARG C CG 1 +ATOM 9853 C CD . ARG C 3 179 ? 56.362 -50.705 -80.706 1.00 65.62 ? 197 ARG C CD 1 +ATOM 9854 N NE . ARG C 3 179 ? 55.875 -50.024 -79.513 1.00 64.73 ? 197 ARG C NE 1 +ATOM 9855 C CZ . ARG C 3 179 ? 56.598 -49.828 -78.419 1.00 65.43 ? 197 ARG C CZ 1 +ATOM 9856 N NH1 . ARG C 3 179 ? 57.843 -50.263 -78.326 1.00 67.11 ? 197 ARG C NH1 1 +ATOM 9857 N NH2 . ARG C 3 179 ? 56.055 -49.186 -77.388 1.00 60.86 ? 197 ARG C NH2 1 +ATOM 9858 N N . VAL C 3 180 ? 57.446 -55.348 -80.485 1.00 62.65 ? 198 VAL C N 1 +ATOM 9859 C CA . VAL C 3 180 ? 58.572 -55.871 -79.727 1.00 73.50 ? 198 VAL C CA 1 +ATOM 9860 C C . VAL C 3 180 ? 59.248 -54.714 -79.015 1.00 64.00 ? 198 VAL C C 1 +ATOM 9861 O O . VAL C 3 180 ? 59.449 -53.646 -79.601 1.00 76.00 ? 198 VAL C O 1 +ATOM 9862 C CB . VAL C 3 180 ? 59.547 -56.624 -80.657 1.00 69.55 ? 198 VAL C CB 1 +ATOM 9863 C CG1 . VAL C 3 180 ? 60.824 -57.010 -79.915 1.00 59.57 ? 198 VAL C CG1 1 +ATOM 9864 C CG2 . VAL C 3 180 ? 58.870 -57.859 -81.223 1.00 64.36 ? 198 VAL C CG2 1 +ATOM 9865 N N . ILE C 3 181 ? 59.577 -54.904 -77.743 1.00 65.63 ? 199 ILE C N 1 +ATOM 9866 C CA . ILE C 3 181 ? 60.165 -53.835 -76.942 1.00 67.79 ? 199 ILE C CA 1 +ATOM 9867 C C . ILE C 3 181 ? 61.678 -53.967 -77.028 1.00 67.97 ? 199 ILE C C 1 +ATOM 9868 O O . ILE C 3 181 ? 62.262 -54.851 -76.404 1.00 67.18 ? 199 ILE C O 1 +ATOM 9869 C CB . ILE C 3 181 ? 59.687 -53.890 -75.485 1.00 76.51 ? 199 ILE C CB 1 +ATOM 9870 C CG1 . ILE C 3 181 ? 58.157 -53.855 -75.420 1.00 66.98 ? 199 ILE C CG1 1 +ATOM 9871 C CG2 . ILE C 3 181 ? 60.297 -52.746 -74.680 1.00 65.05 ? 199 ILE C CG2 1 +ATOM 9872 C CD1 . ILE C 3 181 ? 57.561 -52.725 -76.191 1.00 67.44 ? 199 ILE C CD1 1 +ATOM 9873 N N . THR C 3 182 ? 62.322 -53.075 -77.777 1.00 66.12 ? 200 THR C N 1 +ATOM 9874 C CA . THR C 3 182 ? 63.757 -53.234 -77.985 1.00 77.00 ? 200 THR C CA 1 +ATOM 9875 C C . THR C 3 182 ? 64.602 -52.473 -76.974 1.00 74.79 ? 200 THR C C 1 +ATOM 9876 O O . THR C 3 182 ? 65.670 -52.968 -76.593 1.00 82.02 ? 200 THR C O 1 +ATOM 9877 C CB . THR C 3 182 ? 64.147 -52.830 -79.414 1.00 68.85 ? 200 THR C CB 1 +ATOM 9878 O OG1 . THR C 3 182 ? 63.997 -51.419 -79.592 1.00 77.05 ? 200 THR C OG1 1 +ATOM 9879 C CG2 . THR C 3 182 ? 63.251 -53.527 -80.405 1.00 69.59 ? 200 THR C CG2 1 +ATOM 9880 N N . ASN C 3 183 ? 64.147 -51.308 -76.494 1.00 69.05 ? 201 ASN C N 1 +ATOM 9881 C CA . ASN C 3 183 ? 64.884 -50.520 -75.502 1.00 69.91 ? 201 ASN C CA 1 +ATOM 9882 C C . ASN C 3 183 ? 64.069 -50.299 -74.231 1.00 72.25 ? 201 ASN C C 1 +ATOM 9883 O O . ASN C 3 183 ? 63.494 -49.217 -74.022 1.00 64.01 ? 201 ASN C O 1 +ATOM 9884 C CB . ASN C 3 183 ? 65.333 -49.189 -76.093 1.00 70.36 ? 201 ASN C CB 1 +ATOM 9885 C CG . ASN C 3 183 ? 66.605 -49.331 -76.884 1.00 102.86 ? 201 ASN C CG 1 +ATOM 9886 O OD1 . ASN C 3 183 ? 66.578 -49.701 -78.060 1.00 108.72 ? 201 ASN C OD1 1 +ATOM 9887 N ND2 . ASN C 3 183 ? 67.740 -49.080 -76.231 1.00 116.69 ? 201 ASN C ND2 1 +ATOM 9888 N N . PRO C 3 184 ? 64.026 -51.288 -73.342 1.00 75.73 ? 202 PRO C N 1 +ATOM 9889 C CA . PRO C 3 184 ? 63.339 -51.094 -72.060 1.00 72.99 ? 202 PRO C CA 1 +ATOM 9890 C C . PRO C 3 184 ? 64.053 -50.056 -71.203 1.00 72.91 ? 202 PRO C C 1 +ATOM 9891 O O . PRO C 3 184 ? 65.284 -49.967 -71.200 1.00 71.80 ? 202 PRO C O 1 +ATOM 9892 C CB . PRO C 3 184 ? 63.392 -52.488 -71.419 1.00 79.14 ? 202 PRO C CB 1 +ATOM 9893 C CG . PRO C 3 184 ? 64.608 -53.121 -72.017 1.00 69.33 ? 202 PRO C CG 1 +ATOM 9894 C CD . PRO C 3 184 ? 64.650 -52.621 -73.438 1.00 69.73 ? 202 PRO C CD 1 +ATOM 9895 N N . THR C 3 185 ? 63.266 -49.271 -70.468 1.00 66.03 ? 203 THR C N 1 +ATOM 9896 C CA . THR C 3 185 ? 63.821 -48.222 -69.621 1.00 69.51 ? 203 THR C CA 1 +ATOM 9897 C C . THR C 3 185 ? 64.621 -48.831 -68.475 1.00 73.38 ? 203 THR C C 1 +ATOM 9898 O O . THR C 3 185 ? 64.099 -49.645 -67.710 1.00 74.65 ? 203 THR C O 1 +ATOM 9899 C CB . THR C 3 185 ? 62.702 -47.351 -69.067 1.00 60.08 ? 203 THR C CB 1 +ATOM 9900 O OG1 . THR C 3 185 ? 61.932 -46.828 -70.152 1.00 62.56 ? 203 THR C OG1 1 +ATOM 9901 C CG2 . THR C 3 185 ? 63.281 -46.204 -68.301 1.00 62.74 ? 203 THR C CG2 1 +ATOM 9902 N N . LEU C 3 186 ? 65.883 -48.434 -68.338 1.00 66.83 ? 204 LEU C N 1 +ATOM 9903 C CA . LEU C 3 186 ? 66.718 -48.968 -67.273 1.00 69.22 ? 204 LEU C CA 1 +ATOM 9904 C C . LEU C 3 186 ? 67.221 -47.911 -66.315 1.00 71.43 ? 204 LEU C C 1 +ATOM 9905 O O . LEU C 3 186 ? 67.711 -48.266 -65.238 1.00 72.05 ? 204 LEU C O 1 +ATOM 9906 C CB . LEU C 3 186 ? 67.919 -49.728 -67.854 1.00 80.04 ? 204 LEU C CB 1 +ATOM 9907 C CG . LEU C 3 186 ? 67.576 -51.036 -68.571 1.00 87.05 ? 204 LEU C CG 1 +ATOM 9908 C CD1 . LEU C 3 186 ? 68.826 -51.650 -69.172 1.00 85.91 ? 204 LEU C CD1 1 +ATOM 9909 C CD2 . LEU C 3 186 ? 66.904 -52.009 -67.604 1.00 80.80 ? 204 LEU C CD2 1 +ATOM 9910 N N . ASP C 3 187 ? 67.119 -46.637 -66.674 1.00 62.83 ? 205 ASP C N 1 +ATOM 9911 C CA . ASP C 3 187 ? 67.470 -45.518 -65.819 1.00 68.21 ? 205 ASP C CA 1 +ATOM 9912 C C . ASP C 3 187 ? 66.711 -45.636 -64.504 1.00 69.28 ? 205 ASP C C 1 +ATOM 9913 O O . ASP C 3 187 ? 65.480 -45.541 -64.498 1.00 82.37 ? 205 ASP C O 1 +ATOM 9914 C CB . ASP C 3 187 ? 67.135 -44.202 -66.522 1.00 76.22 ? 205 ASP C CB 1 +ATOM 9915 C CG . ASP C 3 187 ? 67.671 -42.999 -65.795 1.00 81.70 ? 205 ASP C CG 1 +ATOM 9916 O OD1 . ASP C 3 187 ? 68.305 -43.169 -64.730 1.00 81.68 ? 205 ASP C OD1 1 +ATOM 9917 O OD2 . ASP C 3 187 ? 67.463 -41.877 -66.298 1.00 100.17 ? 205 ASP C OD2 1 +ATOM 9918 N N . PRO C 3 188 ? 67.397 -45.840 -63.377 1.00 74.73 ? 206 PRO C N 1 +ATOM 9919 C CA . PRO C 3 188 ? 66.673 -46.028 -62.108 1.00 87.21 ? 206 PRO C CA 1 +ATOM 9920 C C . PRO C 3 188 ? 65.963 -44.777 -61.625 1.00 74.53 ? 206 PRO C C 1 +ATOM 9921 O O . PRO C 3 188 ? 65.031 -44.891 -60.822 1.00 72.54 ? 206 PRO C O 1 +ATOM 9922 C CB . PRO C 3 188 ? 67.774 -46.465 -61.130 1.00 75.46 ? 206 PRO C CB 1 +ATOM 9923 C CG . PRO C 3 188 ? 69.022 -45.900 -61.694 1.00 83.73 ? 206 PRO C CG 1 +ATOM 9924 C CD . PRO C 3 188 ? 68.858 -45.883 -63.195 1.00 77.99 ? 206 PRO C CD 1 +ATOM 9925 N N . ARG C 3 189 ? 66.363 -43.592 -62.092 1.00 72.95 ? 207 ARG C N 1 +ATOM 9926 C CA . ARG C 3 189 ? 65.606 -42.389 -61.771 1.00 72.57 ? 207 ARG C CA 1 +ATOM 9927 C C . ARG C 3 189 ? 64.210 -42.446 -62.372 1.00 76.52 ? 207 ARG C C 1 +ATOM 9928 O O . ARG C 3 189 ? 63.248 -41.953 -61.774 1.00 82.58 ? 207 ARG C O 1 +ATOM 9929 C CB . ARG C 3 189 ? 66.340 -41.142 -62.261 1.00 68.64 ? 207 ARG C CB 1 +ATOM 9930 C CG . ARG C 3 189 ? 67.510 -40.738 -61.403 1.00 82.78 ? 207 ARG C CG 1 +ATOM 9931 C CD . ARG C 3 189 ? 68.818 -41.035 -62.099 1.00 117.74 ? 207 ARG C CD 1 +ATOM 9932 N NE . ARG C 3 189 ? 68.878 -40.388 -63.404 1.00 116.56 ? 207 ARG C NE 1 +ATOM 9933 C CZ . ARG C 3 189 ? 69.843 -40.586 -64.290 1.00 132.30 ? 207 ARG C CZ 1 +ATOM 9934 N NH1 . ARG C 3 189 ? 70.868 -41.385 -64.027 1.00 125.61 ? 207 ARG C NH1 1 +ATOM 9935 N NH2 . ARG C 3 189 ? 69.774 -39.976 -65.471 1.00 139.07 ? 207 ARG C NH2 1 +ATOM 9936 N N . VAL C 3 190 ? 64.077 -43.020 -63.565 1.00 79.18 ? 208 VAL C N 1 +ATOM 9937 C CA . VAL C 3 190 ? 62.748 -43.185 -64.136 1.00 72.98 ? 208 VAL C CA 1 +ATOM 9938 C C . VAL C 3 190 ? 61.984 -44.258 -63.373 1.00 73.81 ? 208 VAL C C 1 +ATOM 9939 O O . VAL C 3 190 ? 60.870 -44.024 -62.887 1.00 64.60 ? 208 VAL C O 1 +ATOM 9940 C CB . VAL C 3 190 ? 62.839 -43.506 -65.637 1.00 72.20 ? 208 VAL C CB 1 +ATOM 9941 C CG1 . VAL C 3 190 ? 61.450 -43.791 -66.196 1.00 63.86 ? 208 VAL C CG1 1 +ATOM 9942 C CG2 . VAL C 3 190 ? 63.482 -42.337 -66.372 1.00 66.12 ? 208 VAL C CG2 1 +ATOM 9943 N N . ILE C 3 191 ? 62.596 -45.434 -63.217 1.00 64.65 ? 209 ILE C N 1 +ATOM 9944 C CA . ILE C 3 191 ? 61.885 -46.582 -62.674 1.00 65.02 ? 209 ILE C CA 1 +ATOM 9945 C C . ILE C 3 191 ? 61.451 -46.309 -61.240 1.00 72.58 ? 209 ILE C C 1 +ATOM 9946 O O . ILE C 3 191 ? 60.283 -46.494 -60.877 1.00 71.68 ? 209 ILE C O 1 +ATOM 9947 C CB . ILE C 3 191 ? 62.752 -47.851 -62.785 1.00 62.80 ? 209 ILE C CB 1 +ATOM 9948 C CG1 . ILE C 3 191 ? 62.927 -48.262 -64.252 1.00 69.76 ? 209 ILE C CG1 1 +ATOM 9949 C CG2 . ILE C 3 191 ? 62.154 -48.989 -61.955 1.00 67.52 ? 209 ILE C CG2 1 +ATOM 9950 C CD1 . ILE C 3 191 ? 61.622 -48.413 -65.048 1.00 57.44 ? 209 ILE C CD1 1 +ATOM 9951 N N . PHE C 3 192 ? 62.378 -45.842 -60.409 1.00 70.81 ? 210 PHE C N 1 +ATOM 9952 C CA . PHE C 3 192 ? 62.060 -45.596 -59.015 1.00 62.29 ? 210 PHE C CA 1 +ATOM 9953 C C . PHE C 3 192 ? 61.408 -44.238 -58.801 1.00 62.68 ? 210 PHE C C 1 +ATOM 9954 O O . PHE C 3 192 ? 60.753 -44.031 -57.774 1.00 63.53 ? 210 PHE C O 1 +ATOM 9955 C CB . PHE C 3 192 ? 63.328 -45.773 -58.179 1.00 67.10 ? 210 PHE C CB 1 +ATOM 9956 C CG . PHE C 3 192 ? 63.829 -47.195 -58.168 1.00 86.65 ? 210 PHE C CG 1 +ATOM 9957 C CD1 . PHE C 3 192 ? 63.277 -48.134 -57.306 1.00 80.07 ? 210 PHE C CD1 1 +ATOM 9958 C CD2 . PHE C 3 192 ? 64.820 -47.610 -59.047 1.00 95.30 ? 210 PHE C CD2 1 +ATOM 9959 C CE1 . PHE C 3 192 ? 63.716 -49.449 -57.310 1.00 76.45 ? 210 PHE C CE1 1 +ATOM 9960 C CE2 . PHE C 3 192 ? 65.263 -48.931 -59.051 1.00 85.76 ? 210 PHE C CE2 1 +ATOM 9961 C CZ . PHE C 3 192 ? 64.710 -49.847 -58.178 1.00 74.11 ? 210 PHE C CZ 1 +ATOM 9962 N N . GLY C 3 193 ? 61.535 -43.327 -59.766 1.00 68.75 ? 211 GLY C N 1 +ATOM 9963 C CA . GLY C 3 193 ? 60.774 -42.091 -59.717 1.00 63.99 ? 211 GLY C CA 1 +ATOM 9964 C C . GLY C 3 193 ? 59.272 -42.313 -59.732 1.00 72.56 ? 211 GLY C C 1 +ATOM 9965 O O . GLY C 3 193 ? 58.514 -41.494 -59.209 1.00 67.53 ? 211 GLY C O 1 +ATOM 9966 N N . TYR C 3 194 ? 58.816 -43.418 -60.329 1.00 63.99 ? 212 TYR C N 1 +ATOM 9967 C CA . TYR C 3 194 ? 57.398 -43.733 -60.259 1.00 52.93 ? 212 TYR C CA 1 +ATOM 9968 C C . TYR C 3 194 ? 56.950 -43.986 -58.828 1.00 65.00 ? 212 TYR C C 1 +ATOM 9969 O O . TYR C 3 194 ? 55.793 -43.717 -58.479 1.00 54.14 ? 212 TYR C O 1 +ATOM 9970 C CB . TYR C 3 194 ? 57.094 -44.957 -61.099 1.00 57.52 ? 212 TYR C CB 1 +ATOM 9971 C CG . TYR C 3 194 ? 56.847 -44.686 -62.551 1.00 52.37 ? 212 TYR C CG 1 +ATOM 9972 C CD1 . TYR C 3 194 ? 55.617 -44.218 -62.993 1.00 54.12 ? 212 TYR C CD1 1 +ATOM 9973 C CD2 . TYR C 3 194 ? 57.837 -44.939 -63.495 1.00 61.11 ? 212 TYR C CD2 1 +ATOM 9974 C CE1 . TYR C 3 194 ? 55.394 -43.988 -64.347 1.00 58.43 ? 212 TYR C CE1 1 +ATOM 9975 C CE2 . TYR C 3 194 ? 57.626 -44.721 -64.838 1.00 49.86 ? 212 TYR C CE2 1 +ATOM 9976 C CZ . TYR C 3 194 ? 56.413 -44.257 -65.260 1.00 62.13 ? 212 TYR C CZ 1 +ATOM 9977 O OH . TYR C 3 194 ? 56.233 -44.057 -66.601 1.00 58.30 ? 212 TYR C OH 1 +ATOM 9978 N N . LEU C 3 195 ? 57.845 -44.527 -57.998 1.00 66.76 ? 213 LEU C N 1 +ATOM 9979 C CA . LEU C 3 195 ? 57.514 -44.883 -56.626 1.00 58.85 ? 213 LEU C CA 1 +ATOM 9980 C C . LEU C 3 195 ? 57.377 -43.670 -55.725 1.00 59.13 ? 213 LEU C C 1 +ATOM 9981 O O . LEU C 3 195 ? 56.765 -43.779 -54.659 1.00 59.75 ? 213 LEU C O 1 +ATOM 9982 C CB . LEU C 3 195 ? 58.585 -45.803 -56.042 1.00 68.32 ? 213 LEU C CB 1 +ATOM 9983 C CG . LEU C 3 195 ? 58.606 -47.299 -56.303 1.00 65.65 ? 213 LEU C CG 1 +ATOM 9984 C CD1 . LEU C 3 195 ? 58.775 -47.568 -57.770 1.00 85.29 ? 213 LEU C CD1 1 +ATOM 9985 C CD2 . LEU C 3 195 ? 59.760 -47.894 -55.536 1.00 83.47 ? 213 LEU C CD2 1 +ATOM 9986 N N . LEU C 3 196 ? 57.949 -42.533 -56.108 1.00 57.36 ? 214 LEU C N 1 +ATOM 9987 C CA . LEU C 3 196 ? 57.881 -41.331 -55.295 1.00 64.95 ? 214 LEU C CA 1 +ATOM 9988 C C . LEU C 3 196 ? 56.872 -40.323 -55.814 1.00 63.03 ? 214 LEU C C 1 +ATOM 9989 O O . LEU C 3 196 ? 56.768 -39.235 -55.250 1.00 69.62 ? 214 LEU C O 1 +ATOM 9990 C CB . LEU C 3 196 ? 59.263 -40.684 -55.199 1.00 67.39 ? 214 LEU C CB 1 +ATOM 9991 C CG . LEU C 3 196 ? 60.326 -41.632 -54.644 1.00 76.96 ? 214 LEU C CG 1 +ATOM 9992 C CD1 . LEU C 3 196 ? 61.589 -40.863 -54.320 1.00 87.68 ? 214 LEU C CD1 1 +ATOM 9993 C CD2 . LEU C 3 196 ? 59.819 -42.360 -53.414 1.00 81.46 ? 214 LEU C CD2 1 +ATOM 9994 N N . LYS C 3 197 ? 56.138 -40.647 -56.875 1.00 66.07 ? 215 LYS C N 1 +ATOM 9995 C CA . LYS C 3 197 ? 55.070 -39.763 -57.321 1.00 59.57 ? 215 LYS C CA 1 +ATOM 9996 C C . LYS C 3 197 ? 53.923 -39.783 -56.319 1.00 52.64 ? 215 LYS C C 1 +ATOM 9997 O O . LYS C 3 197 ? 53.590 -40.825 -55.752 1.00 54.77 ? 215 LYS C O 1 +ATOM 9998 C CB . LYS C 3 197 ? 54.549 -40.181 -58.699 1.00 58.67 ? 215 LYS C CB 1 +ATOM 9999 C CG . LYS C 3 197 ? 55.371 -39.697 -59.858 1.00 64.76 ? 215 LYS C CG 1 +ATOM 10000 C CD . LYS C 3 197 ? 54.924 -40.349 -61.159 1.00 63.51 ? 215 LYS C CD 1 +ATOM 10001 C CE . LYS C 3 197 ? 53.868 -39.522 -61.885 1.00 68.12 ? 215 LYS C CE 1 +ATOM 10002 N NZ . LYS C 3 197 ? 53.612 -40.118 -63.250 1.00 70.56 ? 215 LYS C NZ 1 +ATOM 10003 N N . SER C 3 198 ? 53.325 -38.624 -56.106 1.00 53.70 ? 216 SER C N 1 +ATOM 10004 C CA . SER C 3 198 ? 52.098 -38.539 -55.338 1.00 53.18 ? 216 SER C CA 1 +ATOM 10005 C C . SER C 3 198 ? 51.044 -39.474 -55.923 1.00 54.46 ? 216 SER C C 1 +ATOM 10006 O O . SER C 3 198 ? 50.998 -39.681 -57.145 1.00 55.89 ? 216 SER C O 1 +ATOM 10007 C CB . SER C 3 198 ? 51.571 -37.106 -55.352 1.00 53.08 ? 216 SER C CB 1 +ATOM 10008 O OG . SER C 3 198 ? 50.215 -37.059 -54.963 1.00 63.43 ? 216 SER C OG 1 +ATOM 10009 N N A PRO C 3 199 ? 50.175 -40.042 -55.089 0.40 54.30 ? 217 PRO C N 1 +ATOM 10010 N N B PRO C 3 199 ? 50.186 -40.068 -55.095 0.60 54.32 ? 217 PRO C N 1 +ATOM 10011 C CA A PRO C 3 199 ? 49.036 -40.811 -55.605 0.40 53.94 ? 217 PRO C CA 1 +ATOM 10012 C CA B PRO C 3 199 ? 49.059 -40.849 -55.620 0.60 53.87 ? 217 PRO C CA 1 +ATOM 10013 C C A PRO C 3 199 ? 47.812 -39.980 -55.967 0.40 54.90 ? 217 PRO C C 1 +ATOM 10014 C C B PRO C 3 199 ? 47.828 -40.029 -55.985 0.60 55.01 ? 217 PRO C C 1 +ATOM 10015 O O A PRO C 3 199 ? 46.770 -40.564 -56.282 0.40 56.26 ? 217 PRO C O 1 +ATOM 10016 O O B PRO C 3 199 ? 46.795 -40.618 -56.315 0.60 56.42 ? 217 PRO C O 1 +ATOM 10017 C CB A PRO C 3 199 ? 48.716 -41.763 -54.436 0.40 54.59 ? 217 PRO C CB 1 +ATOM 10018 C CB B PRO C 3 199 ? 48.750 -41.809 -54.459 0.60 54.47 ? 217 PRO C CB 1 +ATOM 10019 C CG A PRO C 3 199 ? 49.164 -41.014 -53.221 0.40 53.84 ? 217 PRO C CG 1 +ATOM 10020 C CG B PRO C 3 199 ? 49.176 -41.054 -53.231 0.60 53.74 ? 217 PRO C CG 1 +ATOM 10021 C CD A PRO C 3 199 ? 50.364 -40.223 -53.637 0.40 53.48 ? 217 PRO C CD 1 +ATOM 10022 C CD B PRO C 3 199 ? 50.359 -40.225 -53.637 0.60 53.45 ? 217 PRO C CD 1 +ATOM 10023 N N A PHE C 3 200 ? 47.897 -38.649 -55.969 0.40 52.04 ? 218 PHE C N 1 +ATOM 10024 N N B PHE C 3 200 ? 47.897 -38.699 -55.962 0.60 52.01 ? 218 PHE C N 1 +ATOM 10025 C CA A PHE C 3 200 ? 46.724 -37.813 -56.184 0.40 52.05 ? 218 PHE C CA 1 +ATOM 10026 C CA B PHE C 3 200 ? 46.721 -37.871 -56.180 0.60 52.10 ? 218 PHE C CA 1 +ATOM 10027 C C A PHE C 3 200 ? 46.569 -37.436 -57.658 0.40 52.20 ? 218 PHE C C 1 +ATOM 10028 C C B PHE C 3 200 ? 46.582 -37.491 -57.652 0.60 52.30 ? 218 PHE C C 1 +ATOM 10029 O O A PHE C 3 200 ? 47.372 -37.820 -58.511 0.40 51.93 ? 218 PHE C O 1 +ATOM 10030 O O B PHE C 3 200 ? 47.398 -37.863 -58.498 0.60 52.00 ? 218 PHE C O 1 +ATOM 10031 C CB A PHE C 3 200 ? 46.788 -36.587 -55.273 0.40 46.57 ? 218 PHE C CB 1 +ATOM 10032 C CB B PHE C 3 200 ? 46.768 -36.643 -55.272 0.60 46.42 ? 218 PHE C CB 1 +ATOM 10033 C CG A PHE C 3 200 ? 46.462 -36.905 -53.842 0.40 49.55 ? 218 PHE C CG 1 +ATOM 10034 C CG B PHE C 3 200 ? 46.431 -36.956 -53.855 0.60 49.48 ? 218 PHE C CG 1 +ATOM 10035 C CD1 A PHE C 3 200 ? 45.141 -36.976 -53.424 0.40 50.27 ? 218 PHE C CD1 1 +ATOM 10036 C CD1 B PHE C 3 200 ? 45.108 -37.070 -53.457 0.60 50.25 ? 218 PHE C CD1 1 +ATOM 10037 C CD2 A PHE C 3 200 ? 47.470 -37.181 -52.930 0.40 54.31 ? 218 PHE C CD2 1 +ATOM 10038 C CD2 B PHE C 3 200 ? 47.431 -37.188 -52.926 0.60 54.30 ? 218 PHE C CD2 1 +ATOM 10039 C CE1 A PHE C 3 200 ? 44.827 -37.293 -52.094 0.40 54.68 ? 218 PHE C CE1 1 +ATOM 10040 C CE1 B PHE C 3 200 ? 44.787 -37.392 -52.144 0.60 54.60 ? 218 PHE C CE1 1 +ATOM 10041 C CE2 A PHE C 3 200 ? 47.167 -37.494 -51.599 0.40 57.88 ? 218 PHE C CE2 1 +ATOM 10042 C CE2 B PHE C 3 200 ? 47.123 -37.503 -51.619 0.60 57.88 ? 218 PHE C CE2 1 +ATOM 10043 C CZ A PHE C 3 200 ? 45.843 -37.559 -51.186 0.40 58.83 ? 218 PHE C CZ 1 +ATOM 10044 C CZ B PHE C 3 200 ? 45.796 -37.609 -51.225 0.60 58.80 ? 218 PHE C CZ 1 +ATOM 10045 N N A GLY C 3 201 ? 45.515 -36.675 -57.954 0.40 48.25 ? 219 GLY C N 1 +ATOM 10046 N N B GLY C 3 201 ? 45.516 -36.749 -57.958 0.60 48.35 ? 219 GLY C N 1 +ATOM 10047 C CA A GLY C 3 201 ? 45.145 -36.442 -59.340 0.40 47.25 ? 219 GLY C CA 1 +ATOM 10048 C CA B GLY C 3 201 ? 45.156 -36.514 -59.344 0.60 47.13 ? 219 GLY C CA 1 +ATOM 10049 C C A GLY C 3 201 ? 46.276 -35.810 -60.131 0.40 51.03 ? 219 GLY C C 1 +ATOM 10050 C C B GLY C 3 201 ? 46.270 -35.839 -60.119 0.60 51.03 ? 219 GLY C C 1 +ATOM 10051 O O A GLY C 3 201 ? 47.040 -34.990 -59.618 0.40 55.60 ? 219 GLY C O 1 +ATOM 10052 O O B GLY C 3 201 ? 47.027 -35.022 -59.587 0.60 55.86 ? 219 GLY C O 1 +ATOM 10053 N N A GLY C 3 202 ? 46.385 -36.204 -61.398 0.40 50.69 ? 220 GLY C N 1 +ATOM 10054 N N B GLY C 3 202 ? 46.378 -36.199 -61.397 0.60 50.71 ? 220 GLY C N 1 +ATOM 10055 C CA A GLY C 3 202 ? 47.439 -35.707 -62.263 0.40 52.92 ? 220 GLY C CA 1 +ATOM 10056 C CA B GLY C 3 202 ? 47.443 -35.696 -62.239 0.60 52.98 ? 220 GLY C CA 1 +ATOM 10057 C C A GLY C 3 202 ? 48.799 -36.322 -62.005 0.40 53.67 ? 220 GLY C C 1 +ATOM 10058 C C B GLY C 3 202 ? 48.797 -36.319 -61.996 0.60 53.65 ? 220 GLY C C 1 +ATOM 10059 O O A GLY C 3 202 ? 49.726 -36.092 -62.793 0.40 62.90 ? 220 GLY C O 1 +ATOM 10060 O O B GLY C 3 202 ? 49.724 -36.075 -62.775 0.60 63.06 ? 220 GLY C O 1 +ATOM 10061 N N . GLU C 3 203 ? 48.940 -37.129 -60.949 1.00 47.06 ? 221 GLU C N 1 +ATOM 10062 C CA . GLU C 3 203 ? 50.205 -37.785 -60.631 1.00 48.88 ? 221 GLU C CA 1 +ATOM 10063 C C . GLU C 3 203 ? 50.009 -39.290 -60.665 1.00 55.03 ? 221 GLU C C 1 +ATOM 10064 O O . GLU C 3 203 ? 50.596 -39.956 -61.512 1.00 54.12 ? 221 GLU C O 1 +ATOM 10065 C CB . GLU C 3 203 ? 50.725 -37.346 -59.262 1.00 48.70 ? 221 GLU C CB 1 +ATOM 10066 C CG . GLU C 3 203 ? 50.875 -35.857 -59.102 1.00 62.66 ? 221 GLU C CG 1 +ATOM 10067 C CD . GLU C 3 203 ? 52.041 -35.345 -59.899 1.00 80.71 ? 221 GLU C CD 1 +ATOM 10068 O OE1 . GLU C 3 203 ? 53.082 -36.036 -59.923 1.00 81.19 ? 221 GLU C OE1 1 +ATOM 10069 O OE2 . GLU C 3 203 ? 51.914 -34.268 -60.516 1.00 107.39 ? 221 GLU C OE2 1 +ATOM 10070 N N . GLY C 3 204 ? 49.218 -39.846 -59.744 1.00 53.00 ? 222 GLY C N 1 +ATOM 10071 C CA . GLY C 3 204 ? 48.751 -41.200 -59.881 1.00 54.79 ? 222 GLY C CA 1 +ATOM 10072 C C . GLY C 3 204 ? 49.730 -42.278 -59.508 1.00 51.99 ? 222 GLY C C 1 +ATOM 10073 O O . GLY C 3 204 ? 49.450 -43.452 -59.761 1.00 54.60 ? 222 GLY C O 1 +ATOM 10074 N N . TRP C 3 205 ? 50.874 -41.920 -58.906 1.00 52.92 ? 223 TRP C N 1 +ATOM 10075 C CA . TRP C 3 205 ? 51.852 -42.888 -58.418 1.00 49.30 ? 223 TRP C CA 1 +ATOM 10076 C C . TRP C 3 205 ? 52.220 -43.871 -59.532 1.00 54.21 ? 223 TRP C C 1 +ATOM 10077 O O . TRP C 3 205 ? 52.405 -43.463 -60.676 1.00 56.74 ? 223 TRP C O 1 +ATOM 10078 C CB . TRP C 3 205 ? 51.278 -43.612 -57.186 1.00 52.34 ? 223 TRP C CB 1 +ATOM 10079 C CG . TRP C 3 205 ? 52.256 -44.410 -56.362 1.00 65.04 ? 223 TRP C CG 1 +ATOM 10080 C CD1 . TRP C 3 205 ? 53.533 -44.058 -56.011 1.00 55.08 ? 223 TRP C CD1 1 +ATOM 10081 C CD2 . TRP C 3 205 ? 52.023 -45.704 -55.791 1.00 56.93 ? 223 TRP C CD2 1 +ATOM 10082 N NE1 . TRP C 3 205 ? 54.106 -45.062 -55.255 1.00 54.41 ? 223 TRP C NE1 1 +ATOM 10083 C CE2 . TRP C 3 205 ? 53.201 -46.079 -55.106 1.00 53.44 ? 223 TRP C CE2 1 +ATOM 10084 C CE3 . TRP C 3 205 ? 50.933 -46.577 -55.792 1.00 49.67 ? 223 TRP C CE3 1 +ATOM 10085 C CZ2 . TRP C 3 205 ? 53.319 -47.290 -54.429 1.00 59.18 ? 223 TRP C CZ2 1 +ATOM 10086 C CZ3 . TRP C 3 205 ? 51.050 -47.787 -55.121 1.00 61.41 ? 223 TRP C CZ3 1 +ATOM 10087 C CH2 . TRP C 3 205 ? 52.237 -48.130 -54.446 1.00 58.15 ? 223 TRP C CH2 1 +ATOM 10088 N N . ILE C 3 206 ? 52.322 -45.163 -59.214 1.00 50.19 ? 224 ILE C N 1 +ATOM 10089 C CA . ILE C 3 206 ? 52.702 -46.128 -60.244 1.00 55.09 ? 224 ILE C CA 1 +ATOM 10090 C C . ILE C 3 206 ? 51.572 -46.441 -61.215 1.00 54.52 ? 224 ILE C C 1 +ATOM 10091 O O . ILE C 3 206 ? 51.827 -46.998 -62.287 1.00 57.87 ? 224 ILE C O 1 +ATOM 10092 C CB . ILE C 3 206 ? 53.239 -47.441 -59.628 1.00 58.50 ? 224 ILE C CB 1 +ATOM 10093 C CG1 . ILE C 3 206 ? 52.118 -48.243 -58.937 1.00 51.74 ? 224 ILE C CG1 1 +ATOM 10094 C CG2 . ILE C 3 206 ? 54.365 -47.156 -58.634 1.00 54.68 ? 224 ILE C CG2 1 +ATOM 10095 C CD1 . ILE C 3 206 ? 52.593 -49.595 -58.436 1.00 48.97 ? 224 ILE C CD1 1 +ATOM 10096 N N . VAL C 3 207 ? 50.329 -46.098 -60.881 1.00 56.45 ? 225 VAL C N 1 +ATOM 10097 C CA . VAL C 3 207 ? 49.208 -46.351 -61.780 1.00 50.66 ? 225 VAL C CA 1 +ATOM 10098 C C . VAL C 3 207 ? 49.361 -45.553 -63.057 1.00 51.24 ? 225 VAL C C 1 +ATOM 10099 O O . VAL C 3 207 ? 48.730 -45.870 -64.074 1.00 54.19 ? 225 VAL C O 1 +ATOM 10100 C CB . VAL C 3 207 ? 47.875 -46.029 -61.059 1.00 52.30 ? 225 VAL C CB 1 +ATOM 10101 C CG1 . VAL C 3 207 ? 46.642 -46.162 -61.988 1.00 42.98 ? 225 VAL C CG1 1 +ATOM 10102 C CG2 . VAL C 3 207 ? 47.730 -46.926 -59.836 1.00 45.90 ? 225 VAL C CG2 1 +ATOM 10103 N N . SER C 3 208 ? 50.199 -44.520 -63.039 1.00 50.72 ? 226 SER C N 1 +ATOM 10104 C CA . SER C 3 208 ? 50.350 -43.644 -64.190 1.00 49.15 ? 226 SER C CA 1 +ATOM 10105 C C . SER C 3 208 ? 51.310 -44.174 -65.250 1.00 50.57 ? 226 SER C C 1 +ATOM 10106 O O . SER C 3 208 ? 51.523 -43.476 -66.236 1.00 53.62 ? 226 SER C O 1 +ATOM 10107 C CB . SER C 3 208 ? 50.820 -42.261 -63.733 1.00 48.93 ? 226 SER C CB 1 +ATOM 10108 O OG . SER C 3 208 ? 52.148 -42.299 -63.251 1.00 54.17 ? 226 SER C OG 1 +ATOM 10109 N N . VAL C 3 209 ? 51.903 -45.363 -65.089 1.00 49.59 ? 227 VAL C N 1 +ATOM 10110 C CA . VAL C 3 209 ? 52.842 -45.839 -66.100 1.00 57.61 ? 227 VAL C CA 1 +ATOM 10111 C C . VAL C 3 209 ? 52.117 -45.962 -67.432 1.00 58.14 ? 227 VAL C C 1 +ATOM 10112 O O . VAL C 3 209 ? 51.046 -46.581 -67.533 1.00 54.85 ? 227 VAL C O 1 +ATOM 10113 C CB . VAL C 3 209 ? 53.496 -47.164 -65.678 1.00 58.38 ? 227 VAL C CB 1 +ATOM 10114 C CG1 . VAL C 3 209 ? 52.460 -48.252 -65.495 1.00 53.48 ? 227 VAL C CG1 1 +ATOM 10115 C CG2 . VAL C 3 209 ? 54.539 -47.586 -66.709 1.00 53.29 ? 227 VAL C CG2 1 +ATOM 10116 N N . ASN C 3 210 ? 52.687 -45.341 -68.465 1.00 51.00 ? 228 ASN C N 1 +ATOM 10117 C CA . ASN C 3 210 ? 51.931 -45.107 -69.687 1.00 57.48 ? 228 ASN C CA 1 +ATOM 10118 C C . ASN C 3 210 ? 52.688 -45.513 -70.949 1.00 58.15 ? 228 ASN C C 1 +ATOM 10119 O O . ASN C 3 210 ? 52.337 -45.062 -72.042 1.00 54.18 ? 228 ASN C O 1 +ATOM 10120 C CB . ASN C 3 210 ? 51.523 -43.633 -69.777 1.00 57.08 ? 228 ASN C CB 1 +ATOM 10121 C CG . ASN C 3 210 ? 52.712 -42.704 -69.894 1.00 61.52 ? 228 ASN C CG 1 +ATOM 10122 O OD1 . ASN C 3 210 ? 53.861 -43.100 -69.711 1.00 63.45 ? 228 ASN C OD1 1 +ATOM 10123 N ND2 . ASN C 3 210 ? 52.436 -41.454 -70.204 1.00 59.11 ? 228 ASN C ND2 1 +ATOM 10124 N N . ASN C 3 211 ? 53.715 -46.347 -70.828 1.00 50.52 ? 229 ASN C N 1 +ATOM 10125 C CA . ASN C 3 211 ? 54.478 -46.761 -71.998 1.00 62.67 ? 229 ASN C CA 1 +ATOM 10126 C C . ASN C 3 211 ? 55.136 -48.099 -71.689 1.00 52.53 ? 229 ASN C C 1 +ATOM 10127 O O . ASN C 3 211 ? 55.483 -48.388 -70.540 1.00 66.53 ? 229 ASN C O 1 +ATOM 10128 C CB . ASN C 3 211 ? 55.516 -45.694 -72.396 1.00 48.30 ? 229 ASN C CB 1 +ATOM 10129 C CG . ASN C 3 211 ? 56.635 -45.572 -71.388 1.00 58.76 ? 229 ASN C CG 1 +ATOM 10130 O OD1 . ASN C 3 211 ? 57.572 -46.365 -71.400 1.00 63.40 ? 229 ASN C OD1 1 +ATOM 10131 N ND2 . ASN C 3 211 ? 56.533 -44.590 -70.489 1.00 57.85 ? 229 ASN C ND2 1 +ATOM 10132 N N . LEU C 3 212 ? 55.288 -48.920 -72.720 1.00 64.27 ? 230 LEU C N 1 +ATOM 10133 C CA . LEU C 3 212 ? 55.731 -50.288 -72.479 1.00 55.66 ? 230 LEU C CA 1 +ATOM 10134 C C . LEU C 3 212 ? 57.214 -50.361 -72.127 1.00 55.66 ? 230 LEU C C 1 +ATOM 10135 O O . LEU C 3 212 ? 57.632 -51.295 -71.431 1.00 62.21 ? 230 LEU C O 1 +ATOM 10136 C CB . LEU C 3 212 ? 55.397 -51.155 -73.692 1.00 65.63 ? 230 LEU C CB 1 +ATOM 10137 C CG . LEU C 3 212 ? 53.894 -51.449 -73.755 1.00 63.35 ? 230 LEU C CG 1 +ATOM 10138 C CD1 . LEU C 3 212 ? 53.578 -52.336 -74.923 1.00 57.25 ? 230 LEU C CD1 1 +ATOM 10139 C CD2 . LEU C 3 212 ? 53.425 -52.097 -72.439 1.00 53.28 ? 230 LEU C CD2 1 +ATOM 10140 N N . GLU C 3 213 ? 58.015 -49.383 -72.562 1.00 52.76 ? 231 GLU C N 1 +ATOM 10141 C CA . GLU C 3 213 ? 59.425 -49.359 -72.183 1.00 60.36 ? 231 GLU C CA 1 +ATOM 10142 C C . GLU C 3 213 ? 59.593 -49.260 -70.672 1.00 63.45 ? 231 GLU C C 1 +ATOM 10143 O O . GLU C 3 213 ? 60.453 -49.935 -70.089 1.00 64.61 ? 231 GLU C O 1 +ATOM 10144 C CB . GLU C 3 213 ? 60.139 -48.204 -72.890 1.00 60.88 ? 231 GLU C CB 1 +ATOM 10145 C CG . GLU C 3 213 ? 60.426 -48.481 -74.378 1.00 60.62 ? 231 GLU C CG 1 +ATOM 10146 C CD . GLU C 3 213 ? 59.179 -48.400 -75.243 1.00 62.59 ? 231 GLU C CD 1 +ATOM 10147 O OE1 . GLU C 3 213 ? 58.183 -47.771 -74.819 1.00 75.34 ? 231 GLU C OE1 1 +ATOM 10148 O OE2 . GLU C 3 213 ? 59.194 -48.962 -76.356 1.00 76.33 ? 231 GLU C OE2 1 +ATOM 10149 N N . ASP C 3 214 ? 58.776 -48.434 -70.014 1.00 62.44 ? 232 ASP C N 1 +ATOM 10150 C CA . ASP C 3 214 ? 58.833 -48.368 -68.555 1.00 69.65 ? 232 ASP C CA 1 +ATOM 10151 C C . ASP C 3 214 ? 58.313 -49.658 -67.928 1.00 59.46 ? 232 ASP C C 1 +ATOM 10152 O O . ASP C 3 214 ? 58.902 -50.165 -66.967 1.00 62.66 ? 232 ASP C O 1 +ATOM 10153 C CB . ASP C 3 214 ? 58.050 -47.151 -68.051 1.00 57.11 ? 232 ASP C CB 1 +ATOM 10154 C CG . ASP C 3 214 ? 58.730 -45.831 -68.405 1.00 67.93 ? 232 ASP C CG 1 +ATOM 10155 O OD1 . ASP C 3 214 ? 59.906 -45.851 -68.835 1.00 57.16 ? 232 ASP C OD1 1 +ATOM 10156 O OD2 . ASP C 3 214 ? 58.086 -44.769 -68.261 1.00 58.56 ? 232 ASP C OD2 1 +ATOM 10157 N N . VAL C 3 215 ? 57.221 -50.214 -68.464 1.00 55.84 ? 233 VAL C N 1 +ATOM 10158 C CA . VAL C 3 215 ? 56.681 -51.453 -67.910 1.00 50.34 ? 233 VAL C CA 1 +ATOM 10159 C C . VAL C 3 215 ? 57.719 -52.573 -67.983 1.00 66.31 ? 233 VAL C C 1 +ATOM 10160 O O . VAL C 3 215 ? 57.909 -53.322 -67.018 1.00 61.62 ? 233 VAL C O 1 +ATOM 10161 C CB . VAL C 3 215 ? 55.379 -51.848 -68.639 1.00 56.24 ? 233 VAL C CB 1 +ATOM 10162 C CG1 . VAL C 3 215 ? 54.931 -53.224 -68.207 1.00 53.79 ? 233 VAL C CG1 1 +ATOM 10163 C CG2 . VAL C 3 215 ? 54.280 -50.817 -68.392 1.00 59.13 ? 233 VAL C CG2 1 +ATOM 10164 N N . VAL C 3 216 ? 58.409 -52.710 -69.123 1.00 58.72 ? 234 VAL C N 1 +ATOM 10165 C CA . VAL C 3 216 ? 59.366 -53.803 -69.265 1.00 55.49 ? 234 VAL C CA 1 +ATOM 10166 C C . VAL C 3 216 ? 60.601 -53.553 -68.407 1.00 58.62 ? 234 VAL C C 1 +ATOM 10167 O O . VAL C 3 216 ? 61.064 -54.444 -67.684 1.00 57.03 ? 234 VAL C O 1 +ATOM 10168 C CB . VAL C 3 216 ? 59.735 -54.015 -70.743 1.00 72.49 ? 234 VAL C CB 1 +ATOM 10169 C CG1 . VAL C 3 216 ? 60.867 -55.053 -70.870 1.00 59.21 ? 234 VAL C CG1 1 +ATOM 10170 C CG2 . VAL C 3 216 ? 58.496 -54.436 -71.534 1.00 51.82 ? 234 VAL C CG2 1 +ATOM 10171 N N . GLY C 3 217 ? 61.134 -52.329 -68.443 1.00 54.84 ? 235 GLY C N 1 +ATOM 10172 C CA . GLY C 3 217 ? 62.291 -52.020 -67.614 1.00 59.90 ? 235 GLY C CA 1 +ATOM 10173 C C . GLY C 3 217 ? 62.035 -52.147 -66.121 1.00 67.96 ? 235 GLY C C 1 +ATOM 10174 O O . GLY C 3 217 ? 62.942 -52.506 -65.358 1.00 66.53 ? 235 GLY C O 1 +ATOM 10175 N N . GLY C 3 218 ? 60.813 -51.834 -65.676 1.00 62.78 ? 236 GLY C N 1 +ATOM 10176 C CA . GLY C 3 218 ? 60.476 -52.046 -64.277 1.00 64.04 ? 236 GLY C CA 1 +ATOM 10177 C C . GLY C 3 218 ? 60.486 -53.510 -63.890 1.00 62.29 ? 236 GLY C C 1 +ATOM 10178 O O . GLY C 3 218 ? 60.812 -53.859 -62.750 1.00 65.09 ? 236 GLY C O 1 +ATOM 10179 N N . HIS C 3 219 ? 60.149 -54.389 -64.829 1.00 55.45 ? 237 HIS C N 1 +ATOM 10180 C CA . HIS C 3 219 ? 60.164 -55.807 -64.514 1.00 66.41 ? 237 HIS C CA 1 +ATOM 10181 C C . HIS C 3 219 ? 61.582 -56.380 -64.545 1.00 63.35 ? 237 HIS C C 1 +ATOM 10182 O O . HIS C 3 219 ? 61.865 -57.350 -63.832 1.00 66.45 ? 237 HIS C O 1 +ATOM 10183 C CB . HIS C 3 219 ? 59.209 -56.554 -65.450 1.00 53.79 ? 237 HIS C CB 1 +ATOM 10184 C CG . HIS C 3 219 ? 57.766 -56.411 -65.055 1.00 72.05 ? 237 HIS C CG 1 +ATOM 10185 N ND1 . HIS C 3 219 ? 56.957 -55.395 -65.525 1.00 54.00 ? 237 HIS C ND1 1 +ATOM 10186 C CD2 . HIS C 3 219 ? 57.001 -57.128 -64.194 1.00 59.97 ? 237 HIS C CD2 1 +ATOM 10187 C CE1 . HIS C 3 219 ? 55.750 -55.517 -65.002 1.00 59.79 ? 237 HIS C CE1 1 +ATOM 10188 N NE2 . HIS C 3 219 ? 55.750 -56.556 -64.186 1.00 54.29 ? 237 HIS C NE2 1 +ATOM 10189 N N . ILE C 3 220 ? 62.495 -55.772 -65.307 1.00 59.99 ? 238 ILE C N 1 +ATOM 10190 C CA . ILE C 3 220 ? 63.905 -56.150 -65.223 1.00 59.93 ? 238 ILE C CA 1 +ATOM 10191 C C . ILE C 3 220 ? 64.449 -55.831 -63.834 1.00 60.29 ? 238 ILE C C 1 +ATOM 10192 O O . ILE C 3 220 ? 65.062 -56.682 -63.173 1.00 64.12 ? 238 ILE C O 1 +ATOM 10193 C CB . ILE C 3 220 ? 64.717 -55.441 -66.322 1.00 69.59 ? 238 ILE C CB 1 +ATOM 10194 C CG1 . ILE C 3 220 ? 64.428 -56.053 -67.707 1.00 61.10 ? 238 ILE C CG1 1 +ATOM 10195 C CG2 . ILE C 3 220 ? 66.203 -55.474 -65.983 1.00 59.57 ? 238 ILE C CG2 1 +ATOM 10196 C CD1 . ILE C 3 220 ? 64.807 -55.123 -68.891 1.00 62.82 ? 238 ILE C CD1 1 +ATOM 10197 N N . TRP C 3 221 ? 64.218 -54.599 -63.364 1.00 64.83 ? 239 TRP C N 1 +ATOM 10198 C CA . TRP C 3 221 ? 64.628 -54.210 -62.015 1.00 59.52 ? 239 TRP C CA 1 +ATOM 10199 C C . TRP C 3 221 ? 63.989 -55.093 -60.953 1.00 60.83 ? 239 TRP C C 1 +ATOM 10200 O O . TRP C 3 221 ? 64.656 -55.509 -59.997 1.00 73.01 ? 239 TRP C O 1 +ATOM 10201 C CB . TRP C 3 221 ? 64.273 -52.750 -61.764 1.00 58.83 ? 239 TRP C CB 1 +ATOM 10202 C CG . TRP C 3 221 ? 65.336 -51.804 -62.187 1.00 68.33 ? 239 TRP C CG 1 +ATOM 10203 C CD1 . TRP C 3 221 ? 65.378 -51.068 -63.340 1.00 64.80 ? 239 TRP C CD1 1 +ATOM 10204 C CD2 . TRP C 3 221 ? 66.529 -51.491 -61.466 1.00 67.60 ? 239 TRP C CD2 1 +ATOM 10205 N NE1 . TRP C 3 221 ? 66.520 -50.313 -63.371 1.00 63.87 ? 239 TRP C NE1 1 +ATOM 10206 C CE2 . TRP C 3 221 ? 67.247 -50.556 -62.236 1.00 70.76 ? 239 TRP C CE2 1 +ATOM 10207 C CE3 . TRP C 3 221 ? 67.063 -51.915 -60.244 1.00 73.54 ? 239 TRP C CE3 1 +ATOM 10208 C CZ2 . TRP C 3 221 ? 68.471 -50.034 -61.825 1.00 76.64 ? 239 TRP C CZ2 1 +ATOM 10209 C CZ3 . TRP C 3 221 ? 68.280 -51.390 -59.834 1.00 96.68 ? 239 TRP C CZ3 1 +ATOM 10210 C CH2 . TRP C 3 221 ? 68.969 -50.456 -60.624 1.00 87.83 ? 239 TRP C CH2 1 +ATOM 10211 N N . ILE C 3 222 ? 62.694 -55.380 -61.088 1.00 70.11 ? 240 ILE C N 1 +ATOM 10212 C CA . ILE C 3 222 ? 62.025 -56.226 -60.099 1.00 64.55 ? 240 ILE C CA 1 +ATOM 10213 C C . ILE C 3 222 ? 62.578 -57.647 -60.140 1.00 69.91 ? 240 ILE C C 1 +ATOM 10214 O O . ILE C 3 222 ? 62.727 -58.304 -59.099 1.00 67.44 ? 240 ILE C O 1 +ATOM 10215 C CB . ILE C 3 222 ? 60.500 -56.186 -60.327 1.00 70.77 ? 240 ILE C CB 1 +ATOM 10216 C CG1 . ILE C 3 222 ? 59.894 -54.984 -59.610 1.00 79.39 ? 240 ILE C CG1 1 +ATOM 10217 C CG2 . ILE C 3 222 ? 59.835 -57.448 -59.828 1.00 87.83 ? 240 ILE C CG2 1 +ATOM 10218 C CD1 . ILE C 3 222 ? 60.087 -55.020 -58.099 1.00 76.62 ? 240 ILE C CD1 1 +ATOM 10219 N N . GLY C 3 223 ? 62.900 -58.149 -61.332 1.00 65.24 ? 241 GLY C N 1 +ATOM 10220 C CA . GLY C 3 223 ? 63.441 -59.497 -61.416 1.00 62.62 ? 241 GLY C CA 1 +ATOM 10221 C C . GLY C 3 223 ? 64.743 -59.646 -60.654 1.00 60.17 ? 241 GLY C C 1 +ATOM 10222 O O . GLY C 3 223 ? 64.901 -60.560 -59.839 1.00 70.54 ? 241 GLY C O 1 +ATOM 10223 N N . LEU C 3 224 ? 65.686 -58.734 -60.897 1.00 64.27 ? 242 LEU C N 1 +ATOM 10224 C CA . LEU C 3 224 ? 66.984 -58.801 -60.237 1.00 62.35 ? 242 LEU C CA 1 +ATOM 10225 C C . LEU C 3 224 ? 66.836 -58.637 -58.732 1.00 62.51 ? 242 LEU C C 1 +ATOM 10226 O O . LEU C 3 224 ? 67.389 -59.422 -57.949 1.00 77.21 ? 242 LEU C O 1 +ATOM 10227 C CB . LEU C 3 224 ? 67.912 -57.730 -60.816 1.00 72.14 ? 242 LEU C CB 1 +ATOM 10228 C CG . LEU C 3 224 ? 68.156 -57.768 -62.328 1.00 81.28 ? 242 LEU C CG 1 +ATOM 10229 C CD1 . LEU C 3 224 ? 69.127 -56.673 -62.748 1.00 104.40 ? 242 LEU C CD1 1 +ATOM 10230 C CD2 . LEU C 3 224 ? 68.672 -59.134 -62.775 1.00 71.27 ? 242 LEU C CD2 1 +ATOM 10231 N N . ILE C 3 225 ? 66.063 -57.630 -58.313 1.00 68.59 ? 243 ILE C N 1 +ATOM 10232 C CA . ILE C 3 225 ? 65.857 -57.354 -56.889 1.00 65.15 ? 243 ILE C CA 1 +ATOM 10233 C C . ILE C 3 225 ? 65.345 -58.596 -56.163 1.00 66.01 ? 243 ILE C C 1 +ATOM 10234 O O . ILE C 3 225 ? 65.848 -58.963 -55.093 1.00 67.38 ? 243 ILE C O 1 +ATOM 10235 C CB . ILE C 3 225 ? 64.905 -56.157 -56.725 1.00 64.14 ? 243 ILE C CB 1 +ATOM 10236 C CG1 . ILE C 3 225 ? 65.641 -54.858 -57.060 1.00 72.76 ? 243 ILE C CG1 1 +ATOM 10237 C CG2 . ILE C 3 225 ? 64.293 -56.126 -55.334 1.00 64.56 ? 243 ILE C CG2 1 +ATOM 10238 C CD1 . ILE C 3 225 ? 64.729 -53.649 -57.181 1.00 72.09 ? 243 ILE C CD1 1 +ATOM 10239 N N . CYS C 3 226 ? 64.351 -59.275 -56.746 1.00 57.08 ? 244 CYS C N 1 +ATOM 10240 C CA . CYS C 3 226 ? 63.809 -60.479 -56.120 1.00 67.87 ? 244 CYS C CA 1 +ATOM 10241 C C . CYS C 3 226 ? 64.838 -61.602 -56.066 1.00 70.10 ? 244 CYS C C 1 +ATOM 10242 O O . CYS C 3 226 ? 64.919 -62.326 -55.067 1.00 73.43 ? 244 CYS C O 1 +ATOM 10243 C CB . CYS C 3 226 ? 62.564 -60.957 -56.866 1.00 65.44 ? 244 CYS C CB 1 +ATOM 10244 S SG . CYS C 3 226 ? 61.096 -60.009 -56.539 1.00 63.70 ? 244 CYS C SG 1 +ATOM 10245 N N . ILE C 3 227 ? 65.618 -61.775 -57.135 1.00 71.01 ? 245 ILE C N 1 +ATOM 10246 C CA . ILE C 3 227 ? 66.636 -62.820 -57.139 1.00 74.56 ? 245 ILE C CA 1 +ATOM 10247 C C . ILE C 3 227 ? 67.723 -62.503 -56.117 1.00 73.91 ? 245 ILE C C 1 +ATOM 10248 O O . ILE C 3 227 ? 68.123 -63.367 -55.327 1.00 67.49 ? 245 ILE C O 1 +ATOM 10249 C CB . ILE C 3 227 ? 67.203 -63.003 -58.564 1.00 67.93 ? 245 ILE C CB 1 +ATOM 10250 C CG1 . ILE C 3 227 ? 66.146 -63.643 -59.468 1.00 68.77 ? 245 ILE C CG1 1 +ATOM 10251 C CG2 . ILE C 3 227 ? 68.457 -63.870 -58.547 1.00 74.70 ? 245 ILE C CG2 1 +ATOM 10252 C CD1 . ILE C 3 227 ? 66.469 -63.563 -60.941 1.00 75.23 ? 245 ILE C CD1 1 +ATOM 10253 N N . ALA C 3 228 ? 68.191 -61.255 -56.094 1.00 63.19 ? 246 ALA C N 1 +ATOM 10254 C CA . ALA C 3 228 ? 69.194 -60.850 -55.118 1.00 63.45 ? 246 ALA C CA 1 +ATOM 10255 C C . ALA C 3 228 ? 68.688 -61.043 -53.696 1.00 72.13 ? 246 ALA C C 1 +ATOM 10256 O O . ALA C 3 228 ? 69.342 -61.696 -52.874 1.00 78.04 ? 246 ALA C O 1 +ATOM 10257 C CB . ALA C 3 228 ? 69.578 -59.389 -55.355 1.00 66.79 ? 246 ALA C CB 1 +ATOM 10258 N N . GLY C 3 229 ? 67.519 -60.477 -53.386 1.00 70.74 ? 247 GLY C N 1 +ATOM 10259 C CA . GLY C 3 229 ? 66.970 -60.612 -52.046 1.00 60.67 ? 247 GLY C CA 1 +ATOM 10260 C C . GLY C 3 229 ? 66.685 -62.049 -51.667 1.00 65.44 ? 247 GLY C C 1 +ATOM 10261 O O . GLY C 3 229 ? 66.782 -62.415 -50.489 1.00 66.24 ? 247 GLY C O 1 +ATOM 10262 N N . GLY C 3 230 ? 66.319 -62.879 -52.653 1.00 64.17 ? 248 GLY C N 1 +ATOM 10263 C CA . GLY C 3 230 ? 66.168 -64.304 -52.403 1.00 60.81 ? 248 GLY C CA 1 +ATOM 10264 C C . GLY C 3 230 ? 67.471 -64.975 -52.006 1.00 82.71 ? 248 GLY C C 1 +ATOM 10265 O O . GLY C 3 230 ? 67.495 -65.838 -51.115 1.00 71.31 ? 248 GLY C O 1 +ATOM 10266 N N . ILE C 3 231 ? 68.571 -64.601 -52.665 1.00 67.85 ? 249 ILE C N 1 +ATOM 10267 C CA . ILE C 3 231 ? 69.882 -65.121 -52.284 1.00 72.12 ? 249 ILE C CA 1 +ATOM 10268 C C . ILE C 3 231 ? 70.278 -64.591 -50.913 1.00 69.97 ? 249 ILE C C 1 +ATOM 10269 O O . ILE C 3 231 ? 70.735 -65.344 -50.044 1.00 75.88 ? 249 ILE C O 1 +ATOM 10270 C CB . ILE C 3 231 ? 70.933 -64.763 -53.350 1.00 78.89 ? 249 ILE C CB 1 +ATOM 10271 C CG1 . ILE C 3 231 ? 70.651 -65.507 -54.658 1.00 76.18 ? 249 ILE C CG1 1 +ATOM 10272 C CG2 . ILE C 3 231 ? 72.340 -65.038 -52.833 1.00 66.81 ? 249 ILE C CG2 1 +ATOM 10273 C CD1 . ILE C 3 231 ? 71.324 -64.857 -55.861 1.00 71.35 ? 249 ILE C CD1 1 +ATOM 10274 N N . TRP C 3 232 ? 70.094 -63.288 -50.702 1.00 64.88 ? 250 TRP C N 1 +ATOM 10275 C CA . TRP C 3 232 ? 70.317 -62.683 -49.392 1.00 61.17 ? 250 TRP C CA 1 +ATOM 10276 C C . TRP C 3 232 ? 69.613 -63.445 -48.271 1.00 68.60 ? 250 TRP C C 1 +ATOM 10277 O O . TRP C 3 232 ? 70.203 -63.699 -47.216 1.00 70.80 ? 250 TRP C O 1 +ATOM 10278 C CB . TRP C 3 232 ? 69.859 -61.231 -49.429 1.00 60.53 ? 250 TRP C CB 1 +ATOM 10279 C CG . TRP C 3 232 ? 69.634 -60.589 -48.096 1.00 70.51 ? 250 TRP C CG 1 +ATOM 10280 C CD1 . TRP C 3 232 ? 68.455 -60.521 -47.413 1.00 68.73 ? 250 TRP C CD1 1 +ATOM 10281 C CD2 . TRP C 3 232 ? 70.596 -59.884 -47.301 1.00 75.95 ? 250 TRP C CD2 1 +ATOM 10282 N NE1 . TRP C 3 232 ? 68.625 -59.838 -46.240 1.00 76.95 ? 250 TRP C NE1 1 +ATOM 10283 C CE2 . TRP C 3 232 ? 69.929 -59.432 -46.146 1.00 80.63 ? 250 TRP C CE2 1 +ATOM 10284 C CE3 . TRP C 3 232 ? 71.959 -59.604 -47.446 1.00 74.55 ? 250 TRP C CE3 1 +ATOM 10285 C CZ2 . TRP C 3 232 ? 70.575 -58.719 -45.139 1.00 78.83 ? 250 TRP C CZ2 1 +ATOM 10286 C CZ3 . TRP C 3 232 ? 72.597 -58.893 -46.447 1.00 73.81 ? 250 TRP C CZ3 1 +ATOM 10287 C CH2 . TRP C 3 232 ? 71.905 -58.457 -45.308 1.00 73.02 ? 250 TRP C CH2 1 +ATOM 10288 N N . HIS C 3 233 ? 68.345 -63.809 -48.470 1.00 62.35 ? 251 HIS C N 1 +ATOM 10289 C CA . HIS C 3 233 ? 67.605 -64.416 -47.371 1.00 65.11 ? 251 HIS C CA 1 +ATOM 10290 C C . HIS C 3 233 ? 67.898 -65.900 -47.220 1.00 64.82 ? 251 HIS C C 1 +ATOM 10291 O O . HIS C 3 233 ? 67.593 -66.477 -46.170 1.00 70.21 ? 251 HIS C O 1 +ATOM 10292 C CB . HIS C 3 233 ? 66.098 -64.176 -47.538 1.00 68.29 ? 251 HIS C CB 1 +ATOM 10293 C CG . HIS C 3 233 ? 65.641 -62.850 -47.008 1.00 66.86 ? 251 HIS C CG 1 +ATOM 10294 N ND1 . HIS C 3 233 ? 65.757 -62.502 -45.680 1.00 68.94 ? 251 HIS C ND1 1 +ATOM 10295 C CD2 . HIS C 3 233 ? 65.085 -61.781 -47.628 1.00 62.38 ? 251 HIS C CD2 1 +ATOM 10296 C CE1 . HIS C 3 233 ? 65.287 -61.279 -45.500 1.00 66.21 ? 251 HIS C CE1 1 +ATOM 10297 N NE2 . HIS C 3 233 ? 64.875 -60.817 -46.669 1.00 69.71 ? 251 HIS C NE2 1 +ATOM 10298 N N . ILE C 3 234 ? 68.489 -66.533 -48.232 1.00 75.14 ? 252 ILE C N 1 +ATOM 10299 C CA . ILE C 3 234 ? 68.992 -67.891 -48.046 1.00 67.14 ? 252 ILE C CA 1 +ATOM 10300 C C . ILE C 3 234 ? 70.245 -67.874 -47.178 1.00 70.70 ? 252 ILE C C 1 +ATOM 10301 O O . ILE C 3 234 ? 70.385 -68.679 -46.254 1.00 64.19 ? 252 ILE C O 1 +ATOM 10302 C CB . ILE C 3 234 ? 69.250 -68.554 -49.410 1.00 75.83 ? 252 ILE C CB 1 +ATOM 10303 C CG1 . ILE C 3 234 ? 67.935 -69.038 -50.029 1.00 67.39 ? 252 ILE C CG1 1 +ATOM 10304 C CG2 . ILE C 3 234 ? 70.240 -69.701 -49.260 1.00 71.82 ? 252 ILE C CG2 1 +ATOM 10305 C CD1 . ILE C 3 234 ? 67.972 -69.147 -51.528 1.00 62.82 ? 252 ILE C CD1 1 +ATOM 10306 N N . LEU C 3 235 ? 71.149 -66.926 -47.429 1.00 70.38 ? 253 LEU C N 1 +ATOM 10307 C CA . LEU C 3 235 ? 72.452 -66.900 -46.779 1.00 71.92 ? 253 LEU C CA 1 +ATOM 10308 C C . LEU C 3 235 ? 72.458 -66.210 -45.426 1.00 82.15 ? 253 LEU C C 1 +ATOM 10309 O O . LEU C 3 235 ? 73.451 -66.326 -44.704 1.00 85.97 ? 253 LEU C O 1 +ATOM 10310 C CB . LEU C 3 235 ? 73.480 -66.204 -47.678 1.00 72.72 ? 253 LEU C CB 1 +ATOM 10311 C CG . LEU C 3 235 ? 73.607 -66.745 -49.102 1.00 73.87 ? 253 LEU C CG 1 +ATOM 10312 C CD1 . LEU C 3 235 ? 74.805 -66.150 -49.810 1.00 81.03 ? 253 LEU C CD1 1 +ATOM 10313 C CD2 . LEU C 3 235 ? 73.669 -68.264 -49.103 1.00 73.56 ? 253 LEU C CD2 1 +ATOM 10314 N N . THR C 3 236 ? 71.403 -65.481 -45.065 1.00 80.47 ? 254 THR C N 1 +ATOM 10315 C CA . THR C 3 236 ? 71.392 -64.724 -43.823 1.00 59.65 ? 254 THR C CA 1 +ATOM 10316 C C . THR C 3 236 ? 70.292 -65.213 -42.897 1.00 68.57 ? 254 THR C C 1 +ATOM 10317 O O . THR C 3 236 ? 69.473 -66.074 -43.233 1.00 65.84 ? 254 THR C O 1 +ATOM 10318 C CB . THR C 3 236 ? 71.206 -63.231 -44.075 1.00 64.62 ? 254 THR C CB 1 +ATOM 10319 O OG1 . THR C 3 236 ? 69.942 -63.019 -44.715 1.00 74.35 ? 254 THR C OG1 1 +ATOM 10320 C CG2 . THR C 3 236 ? 72.333 -62.679 -44.941 1.00 67.08 ? 254 THR C CG2 1 +ATOM 10321 N N . THR C 3 237 ? 70.285 -64.624 -41.709 1.00 72.63 ? 255 THR C N 1 +ATOM 10322 C CA . THR C 3 237 ? 69.277 -64.845 -40.696 1.00 71.61 ? 255 THR C CA 1 +ATOM 10323 C C . THR C 3 237 ? 68.896 -63.479 -40.144 1.00 62.41 ? 255 THR C C 1 +ATOM 10324 O O . THR C 3 237 ? 69.714 -62.552 -40.174 1.00 70.31 ? 255 THR C O 1 +ATOM 10325 C CB . THR C 3 237 ? 69.808 -65.786 -39.600 1.00 73.23 ? 255 THR C CB 1 +ATOM 10326 O OG1 . THR C 3 237 ? 68.720 -66.494 -38.999 1.00 92.75 ? 255 THR C OG1 1 +ATOM 10327 C CG2 . THR C 3 237 ? 70.585 -65.027 -38.545 1.00 64.36 ? 255 THR C CG2 1 +ATOM 10328 N N . PRO C 3 238 ? 67.652 -63.303 -39.701 1.00 69.75 ? 256 PRO C N 1 +ATOM 10329 C CA . PRO C 3 238 ? 67.193 -61.965 -39.292 1.00 61.97 ? 256 PRO C CA 1 +ATOM 10330 C C . PRO C 3 238 ? 68.099 -61.323 -38.249 1.00 69.64 ? 256 PRO C C 1 +ATOM 10331 O O . PRO C 3 238 ? 68.540 -61.966 -37.295 1.00 71.73 ? 256 PRO C O 1 +ATOM 10332 C CB . PRO C 3 238 ? 65.794 -62.232 -38.728 1.00 60.60 ? 256 PRO C CB 1 +ATOM 10333 C CG . PRO C 3 238 ? 65.325 -63.431 -39.491 1.00 66.03 ? 256 PRO C CG 1 +ATOM 10334 C CD . PRO C 3 238 ? 66.553 -64.284 -39.725 1.00 62.99 ? 256 PRO C CD 1 +ATOM 10335 N N . PHE C 3 239 ? 68.369 -60.033 -38.441 1.00 74.27 ? 257 PHE C N 1 +ATOM 10336 C CA . PHE C 3 239 ? 69.189 -59.249 -37.529 1.00 75.56 ? 257 PHE C CA 1 +ATOM 10337 C C . PHE C 3 239 ? 68.442 -58.947 -36.234 1.00 74.06 ? 257 PHE C C 1 +ATOM 10338 O O . PHE C 3 239 ? 67.216 -59.074 -36.138 1.00 71.20 ? 257 PHE C O 1 +ATOM 10339 C CB . PHE C 3 239 ? 69.622 -57.946 -38.190 1.00 71.36 ? 257 PHE C CB 1 +ATOM 10340 C CG . PHE C 3 239 ? 70.419 -58.151 -39.428 1.00 81.77 ? 257 PHE C CG 1 +ATOM 10341 C CD1 . PHE C 3 239 ? 71.527 -58.984 -39.415 1.00 85.74 ? 257 PHE C CD1 1 +ATOM 10342 C CD2 . PHE C 3 239 ? 70.052 -57.544 -40.613 1.00 76.50 ? 257 PHE C CD2 1 +ATOM 10343 C CE1 . PHE C 3 239 ? 72.267 -59.199 -40.562 1.00 92.20 ? 257 PHE C CE1 1 +ATOM 10344 C CE2 . PHE C 3 239 ? 70.790 -57.751 -41.762 1.00 93.14 ? 257 PHE C CE2 1 +ATOM 10345 C CZ . PHE C 3 239 ? 71.898 -58.586 -41.737 1.00 83.62 ? 257 PHE C CZ 1 +ATOM 10346 N N . GLY C 3 240 ? 69.216 -58.514 -35.233 1.00 75.71 ? 258 GLY C N 1 +ATOM 10347 C CA . GLY C 3 240 ? 68.674 -58.342 -33.893 1.00 72.13 ? 258 GLY C CA 1 +ATOM 10348 C C . GLY C 3 240 ? 67.532 -57.345 -33.830 1.00 70.56 ? 258 GLY C C 1 +ATOM 10349 O O . GLY C 3 240 ? 66.536 -57.576 -33.138 1.00 67.15 ? 258 GLY C O 1 +ATOM 10350 N N . TRP C 3 241 ? 67.654 -56.225 -34.556 1.00 68.89 ? 259 TRP C N 1 +ATOM 10351 C CA . TRP C 3 241 ? 66.558 -55.262 -34.587 1.00 65.08 ? 259 TRP C CA 1 +ATOM 10352 C C . TRP C 3 241 ? 65.310 -55.874 -35.212 1.00 81.18 ? 259 TRP C C 1 +ATOM 10353 O O . TRP C 3 241 ? 64.191 -55.635 -34.744 1.00 74.10 ? 259 TRP C O 1 +ATOM 10354 C CB . TRP C 3 241 ? 66.973 -53.987 -35.326 1.00 68.62 ? 259 TRP C CB 1 +ATOM 10355 C CG . TRP C 3 241 ? 67.341 -54.143 -36.783 1.00 79.79 ? 259 TRP C CG 1 +ATOM 10356 C CD1 . TRP C 3 241 ? 68.601 -54.275 -37.302 1.00 77.00 ? 259 TRP C CD1 1 +ATOM 10357 C CD2 . TRP C 3 241 ? 66.444 -54.140 -37.909 1.00 87.66 ? 259 TRP C CD2 1 +ATOM 10358 N NE1 . TRP C 3 241 ? 68.542 -54.370 -38.675 1.00 76.22 ? 259 TRP C NE1 1 +ATOM 10359 C CE2 . TRP C 3 241 ? 67.233 -54.293 -39.073 1.00 73.95 ? 259 TRP C CE2 1 +ATOM 10360 C CE3 . TRP C 3 241 ? 65.053 -54.036 -38.045 1.00 68.75 ? 259 TRP C CE3 1 +ATOM 10361 C CZ2 . TRP C 3 241 ? 66.677 -54.340 -40.352 1.00 69.15 ? 259 TRP C CZ2 1 +ATOM 10362 C CZ3 . TRP C 3 241 ? 64.503 -54.085 -39.316 1.00 70.24 ? 259 TRP C CZ3 1 +ATOM 10363 C CH2 . TRP C 3 241 ? 65.315 -54.237 -40.453 1.00 69.93 ? 259 TRP C CH2 1 +ATOM 10364 N N . ALA C 3 242 ? 65.475 -56.686 -36.256 1.00 73.05 ? 260 ALA C N 1 +ATOM 10365 C CA . ALA C 3 242 ? 64.310 -57.348 -36.819 1.00 66.39 ? 260 ALA C CA 1 +ATOM 10366 C C . ALA C 3 242 ? 63.742 -58.367 -35.847 1.00 69.51 ? 260 ALA C C 1 +ATOM 10367 O O . ALA C 3 242 ? 62.519 -58.502 -35.726 1.00 68.62 ? 260 ALA C O 1 +ATOM 10368 C CB . ALA C 3 242 ? 64.662 -58.007 -38.148 1.00 69.86 ? 260 ALA C CB 1 +ATOM 10369 N N . ARG C 3 243 ? 64.613 -59.088 -35.135 1.00 67.64 ? 261 ARG C N 1 +ATOM 10370 C CA . ARG C 3 243 ? 64.133 -60.130 -34.236 1.00 64.74 ? 261 ARG C CA 1 +ATOM 10371 C C . ARG C 3 243 ? 63.220 -59.553 -33.167 1.00 66.07 ? 261 ARG C C 1 +ATOM 10372 O O . ARG C 3 243 ? 62.195 -60.153 -32.830 1.00 70.18 ? 261 ARG C O 1 +ATOM 10373 C CB . ARG C 3 243 ? 65.313 -60.874 -33.609 1.00 84.37 ? 261 ARG C CB 1 +ATOM 10374 C CG . ARG C 3 243 ? 66.024 -61.809 -34.594 1.00 79.48 ? 261 ARG C CG 1 +ATOM 10375 C CD . ARG C 3 243 ? 66.977 -62.780 -33.909 1.00 101.15 ? 261 ARG C CD 1 +ATOM 10376 N NE . ARG C 3 243 ? 68.284 -62.189 -33.639 1.00 107.40 ? 261 ARG C NE 1 +ATOM 10377 C CZ . ARG C 3 243 ? 68.713 -61.828 -32.435 1.00 129.71 ? 261 ARG C CZ 1 +ATOM 10378 N NH1 . ARG C 3 243 ? 67.964 -61.995 -31.353 1.00 129.13 ? 261 ARG C NH1 1 +ATOM 10379 N NH2 . ARG C 3 243 ? 69.925 -61.290 -32.312 1.00 120.34 ? 261 ARG C NH2 1 +ATOM 10380 N N . ARG C 3 244 ? 63.554 -58.369 -32.654 1.00 66.76 ? 262 ARG C N 1 +ATOM 10381 C CA . ARG C 3 244 ? 62.799 -57.762 -31.564 1.00 71.39 ? 262 ARG C CA 1 +ATOM 10382 C C . ARG C 3 244 ? 61.513 -57.076 -32.022 1.00 78.54 ? 262 ARG C C 1 +ATOM 10383 O O . ARG C 3 244 ? 60.636 -56.821 -31.187 1.00 76.07 ? 262 ARG C O 1 +ATOM 10384 C CB . ARG C 3 244 ? 63.678 -56.750 -30.817 1.00 86.18 ? 262 ARG C CB 1 +ATOM 10385 C CG . ARG C 3 244 ? 64.883 -57.365 -30.108 1.00 75.65 ? 262 ARG C CG 1 +ATOM 10386 C CD . ARG C 3 244 ? 65.677 -56.331 -29.303 1.00 114.31 ? 262 ARG C CD 1 +ATOM 10387 N NE . ARG C 3 244 ? 66.353 -55.342 -30.141 1.00 123.92 ? 262 ARG C NE 1 +ATOM 10388 C CZ . ARG C 3 244 ? 67.577 -55.489 -30.636 1.00 115.28 ? 262 ARG C CZ 1 +ATOM 10389 N NH1 . ARG C 3 244 ? 68.282 -56.593 -30.425 1.00 106.77 ? 262 ARG C NH1 1 +ATOM 10390 N NH2 . ARG C 3 244 ? 68.107 -54.505 -31.360 1.00 99.71 ? 262 ARG C NH2 1 +ATOM 10391 N N . ALA C 3 245 ? 61.367 -56.781 -33.318 1.00 68.82 ? 263 ALA C N 1 +ATOM 10392 C CA . ALA C 3 245 ? 60.194 -56.058 -33.794 1.00 71.31 ? 263 ALA C CA 1 +ATOM 10393 C C . ALA C 3 245 ? 59.033 -56.957 -34.198 1.00 68.51 ? 263 ALA C C 1 +ATOM 10394 O O . ALA C 3 245 ? 57.896 -56.476 -34.245 1.00 62.51 ? 263 ALA C O 1 +ATOM 10395 C CB . ALA C 3 245 ? 60.556 -55.168 -34.987 1.00 71.40 ? 263 ALA C CB 1 +ATOM 10396 N N . PHE C 3 246 ? 59.273 -58.233 -34.485 1.00 61.55 ? 264 PHE C N 1 +ATOM 10397 C CA . PHE C 3 246 ? 58.248 -59.080 -35.076 1.00 60.89 ? 264 PHE C CA 1 +ATOM 10398 C C . PHE C 3 246 ? 57.801 -60.174 -34.123 1.00 57.41 ? 264 PHE C C 1 +ATOM 10399 O O . PHE C 3 246 ? 58.492 -60.525 -33.166 1.00 66.57 ? 264 PHE C O 1 +ATOM 10400 C CB . PHE C 3 246 ? 58.739 -59.725 -36.378 1.00 64.46 ? 264 PHE C CB 1 +ATOM 10401 C CG . PHE C 3 246 ? 58.887 -58.756 -37.498 1.00 66.88 ? 264 PHE C CG 1 +ATOM 10402 C CD1 . PHE C 3 246 ? 57.773 -58.292 -38.180 1.00 71.52 ? 264 PHE C CD1 1 +ATOM 10403 C CD2 . PHE C 3 246 ? 60.137 -58.291 -37.869 1.00 70.52 ? 264 PHE C CD2 1 +ATOM 10404 C CE1 . PHE C 3 246 ? 57.907 -57.386 -39.225 1.00 73.40 ? 264 PHE C CE1 1 +ATOM 10405 C CE2 . PHE C 3 246 ? 60.278 -57.373 -38.907 1.00 71.68 ? 264 PHE C CE2 1 +ATOM 10406 C CZ . PHE C 3 246 ? 59.162 -56.926 -39.585 1.00 73.59 ? 264 PHE C CZ 1 +ATOM 10407 N N . ILE C 3 247 ? 56.621 -60.700 -34.404 1.00 63.57 ? 265 ILE C N 1 +ATOM 10408 C CA . ILE C 3 247 ? 56.153 -61.954 -33.830 1.00 58.93 ? 265 ILE C CA 1 +ATOM 10409 C C . ILE C 3 247 ? 56.559 -63.079 -34.776 1.00 60.79 ? 265 ILE C C 1 +ATOM 10410 O O . ILE C 3 247 ? 56.420 -62.966 -36.002 1.00 63.69 ? 265 ILE C O 1 +ATOM 10411 C CB . ILE C 3 247 ? 54.630 -61.918 -33.608 1.00 58.58 ? 265 ILE C CB 1 +ATOM 10412 C CG1 . ILE C 3 247 ? 54.249 -60.680 -32.794 1.00 70.43 ? 265 ILE C CG1 1 +ATOM 10413 C CG2 . ILE C 3 247 ? 54.158 -63.182 -32.901 1.00 50.39 ? 265 ILE C CG2 1 +ATOM 10414 C CD1 . ILE C 3 247 ? 54.827 -60.670 -31.381 1.00 71.35 ? 265 ILE C CD1 1 +ATOM 10415 N N . TRP C 3 248 ? 57.091 -64.159 -34.218 1.00 59.02 ? 266 TRP C N 1 +ATOM 10416 C CA . TRP C 3 248 ? 57.653 -65.247 -35.018 1.00 62.94 ? 266 TRP C CA 1 +ATOM 10417 C C . TRP C 3 248 ? 56.805 -66.481 -34.759 1.00 61.12 ? 266 TRP C C 1 +ATOM 10418 O O . TRP C 3 248 ? 57.056 -67.231 -33.815 1.00 66.17 ? 266 TRP C O 1 +ATOM 10419 C CB . TRP C 3 248 ? 59.118 -65.474 -34.690 1.00 55.07 ? 266 TRP C CB 1 +ATOM 10420 C CG . TRP C 3 248 ? 59.927 -64.231 -34.869 1.00 57.69 ? 266 TRP C CG 1 +ATOM 10421 C CD1 . TRP C 3 248 ? 60.084 -63.214 -33.967 1.00 60.22 ? 266 TRP C CD1 1 +ATOM 10422 C CD2 . TRP C 3 248 ? 60.676 -63.852 -36.032 1.00 58.66 ? 266 TRP C CD2 1 +ATOM 10423 N NE1 . TRP C 3 248 ? 60.889 -62.234 -34.493 1.00 65.50 ? 266 TRP C NE1 1 +ATOM 10424 C CE2 . TRP C 3 248 ? 61.267 -62.599 -35.758 1.00 54.95 ? 266 TRP C CE2 1 +ATOM 10425 C CE3 . TRP C 3 248 ? 60.912 -64.455 -37.271 1.00 53.05 ? 266 TRP C CE3 1 +ATOM 10426 C CZ2 . TRP C 3 248 ? 62.078 -61.936 -36.678 1.00 68.74 ? 266 TRP C CZ2 1 +ATOM 10427 C CZ3 . TRP C 3 248 ? 61.712 -63.799 -38.182 1.00 67.60 ? 266 TRP C CZ3 1 +ATOM 10428 C CH2 . TRP C 3 248 ? 62.287 -62.549 -37.886 1.00 58.98 ? 266 TRP C CH2 1 +ATOM 10429 N N . SER C 3 249 ? 55.801 -66.677 -35.609 1.00 61.03 ? 267 SER C N 1 +ATOM 10430 C CA . SER C 3 249 ? 54.839 -67.757 -35.468 1.00 56.37 ? 267 SER C CA 1 +ATOM 10431 C C . SER C 3 249 ? 54.112 -67.905 -36.792 1.00 63.65 ? 267 SER C C 1 +ATOM 10432 O O . SER C 3 249 ? 54.071 -66.973 -37.599 1.00 60.15 ? 267 SER C O 1 +ATOM 10433 C CB . SER C 3 249 ? 53.836 -67.495 -34.350 1.00 54.25 ? 267 SER C CB 1 +ATOM 10434 O OG . SER C 3 249 ? 52.928 -66.478 -34.735 1.00 59.65 ? 267 SER C OG 1 +ATOM 10435 N N . GLY C 3 250 ? 53.533 -69.095 -36.994 1.00 59.91 ? 268 GLY C N 1 +ATOM 10436 C CA . GLY C 3 250 ? 52.793 -69.349 -38.217 1.00 60.83 ? 268 GLY C CA 1 +ATOM 10437 C C . GLY C 3 250 ? 51.689 -68.334 -38.439 1.00 63.01 ? 268 GLY C C 1 +ATOM 10438 O O . GLY C 3 250 ? 51.600 -67.719 -39.508 1.00 55.32 ? 268 GLY C O 1 +ATOM 10439 N N . GLU C 3 251 ? 50.842 -68.128 -37.421 1.00 55.94 ? 269 GLU C N 1 +ATOM 10440 C CA . GLU C 3 251 ? 49.733 -67.192 -37.586 1.00 60.43 ? 269 GLU C CA 1 +ATOM 10441 C C . GLU C 3 251 ? 50.249 -65.780 -37.837 1.00 56.55 ? 269 GLU C C 1 +ATOM 10442 O O . GLU C 3 251 ? 49.689 -65.037 -38.654 1.00 54.73 ? 269 GLU C O 1 +ATOM 10443 C CB . GLU C 3 251 ? 48.799 -67.246 -36.373 1.00 51.68 ? 269 GLU C CB 1 +ATOM 10444 C CG . GLU C 3 251 ? 47.548 -66.387 -36.572 1.00 60.86 ? 269 GLU C CG 1 +ATOM 10445 C CD . GLU C 3 251 ? 46.444 -66.644 -35.544 1.00 59.36 ? 269 GLU C CD 1 +ATOM 10446 O OE1 . GLU C 3 251 ? 46.726 -67.095 -34.405 1.00 55.72 ? 269 GLU C OE1 1 +ATOM 10447 O OE2 . GLU C 3 251 ? 45.270 -66.405 -35.906 1.00 54.52 ? 269 GLU C OE2 1 +ATOM 10448 N N . ALA C 3 252 ? 51.349 -65.402 -37.181 1.00 62.16 ? 270 ALA C N 1 +ATOM 10449 C CA . ALA C 3 252 ? 51.926 -64.087 -37.445 1.00 55.43 ? 270 ALA C CA 1 +ATOM 10450 C C . ALA C 3 252 ? 52.356 -63.963 -38.903 1.00 58.13 ? 270 ALA C C 1 +ATOM 10451 O O . ALA C 3 252 ? 52.077 -62.951 -39.560 1.00 62.99 ? 270 ALA C O 1 +ATOM 10452 C CB . ALA C 3 252 ? 53.100 -63.816 -36.505 1.00 51.93 ? 270 ALA C CB 1 +ATOM 10453 N N . TYR C 3 253 ? 53.055 -64.978 -39.427 1.00 59.52 ? 271 TYR C N 1 +ATOM 10454 C CA . TYR C 3 253 ? 53.498 -64.910 -40.819 1.00 60.98 ? 271 TYR C CA 1 +ATOM 10455 C C . TYR C 3 253 ? 52.305 -64.798 -41.755 1.00 48.28 ? 271 TYR C C 1 +ATOM 10456 O O . TYR C 3 253 ? 52.321 -64.006 -42.698 1.00 49.84 ? 271 TYR C O 1 +ATOM 10457 C CB . TYR C 3 253 ? 54.346 -66.138 -41.176 1.00 63.42 ? 271 TYR C CB 1 +ATOM 10458 C CG . TYR C 3 253 ? 55.537 -66.325 -40.263 1.00 66.37 ? 271 TYR C CG 1 +ATOM 10459 C CD1 . TYR C 3 253 ? 56.140 -65.235 -39.647 1.00 59.03 ? 271 TYR C CD1 1 +ATOM 10460 C CD2 . TYR C 3 253 ? 56.049 -67.597 -40.001 1.00 69.03 ? 271 TYR C CD2 1 +ATOM 10461 C CE1 . TYR C 3 253 ? 57.213 -65.406 -38.796 1.00 57.43 ? 271 TYR C CE1 1 +ATOM 10462 C CE2 . TYR C 3 253 ? 57.126 -67.771 -39.158 1.00 59.94 ? 271 TYR C CE2 1 +ATOM 10463 C CZ . TYR C 3 253 ? 57.700 -66.675 -38.561 1.00 64.91 ? 271 TYR C CZ 1 +ATOM 10464 O OH . TYR C 3 253 ? 58.765 -66.841 -37.723 1.00 73.89 ? 271 TYR C OH 1 +ATOM 10465 N N . LEU C 3 254 ? 51.251 -65.570 -41.486 1.00 58.79 ? 272 LEU C N 1 +ATOM 10466 C CA . LEU C 3 254 ? 50.019 -65.455 -42.255 1.00 57.82 ? 272 LEU C CA 1 +ATOM 10467 C C . LEU C 3 254 ? 49.495 -64.023 -42.241 1.00 58.15 ? 272 LEU C C 1 +ATOM 10468 O O . LEU C 3 254 ? 49.139 -63.466 -43.289 1.00 59.08 ? 272 LEU C O 1 +ATOM 10469 C CB . LEU C 3 254 ? 48.967 -66.417 -41.694 1.00 58.24 ? 272 LEU C CB 1 +ATOM 10470 C CG . LEU C 3 254 ? 47.601 -66.262 -42.362 1.00 54.95 ? 272 LEU C CG 1 +ATOM 10471 C CD1 . LEU C 3 254 ? 47.747 -66.451 -43.865 1.00 48.96 ? 272 LEU C CD1 1 +ATOM 10472 C CD2 . LEU C 3 254 ? 46.614 -67.263 -41.766 1.00 55.85 ? 272 LEU C CD2 1 +ATOM 10473 N N . SER C 3 255 ? 49.470 -63.403 -41.055 1.00 55.81 ? 273 SER C N 1 +ATOM 10474 C CA . SER C 3 255 ? 48.904 -62.062 -40.920 1.00 54.24 ? 273 SER C CA 1 +ATOM 10475 C C . SER C 3 255 ? 49.673 -61.041 -41.743 1.00 51.36 ? 273 SER C C 1 +ATOM 10476 O O . SER C 3 255 ? 49.065 -60.126 -42.308 1.00 55.31 ? 273 SER C O 1 +ATOM 10477 C CB . SER C 3 255 ? 48.856 -61.642 -39.440 1.00 51.46 ? 273 SER C CB 1 +ATOM 10478 O OG . SER C 3 255 ? 50.057 -61.000 -39.018 1.00 54.17 ? 273 SER C OG 1 +ATOM 10479 N N . TYR C 3 256 ? 51.005 -61.169 -41.824 1.00 49.57 ? 274 TYR C N 1 +ATOM 10480 C CA . TYR C 3 256 ? 51.775 -60.201 -42.611 1.00 51.01 ? 274 TYR C CA 1 +ATOM 10481 C C . TYR C 3 256 ? 51.433 -60.321 -44.090 1.00 58.57 ? 274 TYR C C 1 +ATOM 10482 O O . TYR C 3 256 ? 51.278 -59.308 -44.790 1.00 55.36 ? 274 TYR C O 1 +ATOM 10483 C CB . TYR C 3 256 ? 53.288 -60.388 -42.416 1.00 56.80 ? 274 TYR C CB 1 +ATOM 10484 C CG . TYR C 3 256 ? 53.772 -60.492 -40.982 1.00 56.84 ? 274 TYR C CG 1 +ATOM 10485 C CD1 . TYR C 3 256 ? 53.135 -59.786 -39.951 1.00 56.58 ? 274 TYR C CD1 1 +ATOM 10486 C CD2 . TYR C 3 256 ? 54.877 -61.286 -40.654 1.00 51.43 ? 274 TYR C CD2 1 +ATOM 10487 C CE1 . TYR C 3 256 ? 53.574 -59.869 -38.639 1.00 55.94 ? 274 TYR C CE1 1 +ATOM 10488 C CE2 . TYR C 3 256 ? 55.329 -61.381 -39.328 1.00 59.41 ? 274 TYR C CE2 1 +ATOM 10489 C CZ . TYR C 3 256 ? 54.664 -60.662 -38.324 1.00 60.74 ? 274 TYR C CZ 1 +ATOM 10490 O OH . TYR C 3 256 ? 55.072 -60.723 -37.011 1.00 55.79 ? 274 TYR C OH 1 +ATOM 10491 N N . SER C 3 257 ? 51.304 -61.562 -44.571 1.00 53.44 ? 275 SER C N 1 +ATOM 10492 C CA . SER C 3 257 ? 50.915 -61.803 -45.949 1.00 54.48 ? 275 SER C CA 1 +ATOM 10493 C C . SER C 3 257 ? 49.509 -61.294 -46.225 1.00 50.90 ? 275 SER C C 1 +ATOM 10494 O O . SER C 3 257 ? 49.232 -60.795 -47.322 1.00 54.00 ? 275 SER C O 1 +ATOM 10495 C CB . SER C 3 257 ? 51.012 -63.300 -46.257 1.00 55.56 ? 275 SER C CB 1 +ATOM 10496 O OG . SER C 3 257 ? 52.362 -63.710 -46.339 1.00 60.74 ? 275 SER C OG 1 +ATOM 10497 N N . LEU C 3 258 ? 48.599 -61.428 -45.255 1.00 56.57 ? 276 LEU C N 1 +ATOM 10498 C CA . LEU C 3 258 ? 47.251 -60.921 -45.468 1.00 53.50 ? 276 LEU C CA 1 +ATOM 10499 C C . LEU C 3 258 ? 47.266 -59.400 -45.617 1.00 54.21 ? 276 LEU C C 1 +ATOM 10500 O O . LEU C 3 258 ? 46.566 -58.843 -46.472 1.00 51.68 ? 276 LEU C O 1 +ATOM 10501 C CB . LEU C 3 258 ? 46.332 -61.360 -44.329 1.00 48.12 ? 276 LEU C CB 1 +ATOM 10502 C CG . LEU C 3 258 ? 45.934 -62.835 -44.194 1.00 57.05 ? 276 LEU C CG 1 +ATOM 10503 C CD1 . LEU C 3 258 ? 45.182 -63.125 -42.881 1.00 52.95 ? 276 LEU C CD1 1 +ATOM 10504 C CD2 . LEU C 3 258 ? 45.130 -63.316 -45.392 1.00 57.53 ? 276 LEU C CD2 1 +ATOM 10505 N N . GLY C 3 259 ? 48.070 -58.712 -44.802 1.00 49.75 ? 277 GLY C N 1 +ATOM 10506 C CA . GLY C 3 259 ? 48.247 -57.282 -44.990 1.00 45.80 ? 277 GLY C CA 1 +ATOM 10507 C C . GLY C 3 259 ? 48.800 -56.943 -46.358 1.00 47.85 ? 277 GLY C C 1 +ATOM 10508 O O . GLY C 3 259 ? 48.340 -56.000 -47.011 1.00 47.19 ? 277 GLY C O 1 +ATOM 10509 N N . ALA C 3 260 ? 49.792 -57.711 -46.814 1.00 54.91 ? 278 ALA C N 1 +ATOM 10510 C CA . ALA C 3 260 ? 50.417 -57.435 -48.107 1.00 55.58 ? 278 ALA C CA 1 +ATOM 10511 C C . ALA C 3 260 ? 49.438 -57.657 -49.251 1.00 54.69 ? 278 ALA C C 1 +ATOM 10512 O O . ALA C 3 260 ? 49.413 -56.891 -50.218 1.00 54.53 ? 278 ALA C O 1 +ATOM 10513 C CB . ALA C 3 260 ? 51.649 -58.323 -48.290 1.00 58.81 ? 278 ALA C CB 1 +ATOM 10514 N N . LEU C 3 261 ? 48.635 -58.719 -49.169 1.00 55.68 ? 279 LEU C N 1 +ATOM 10515 C CA . LEU C 3 261 ? 47.706 -59.002 -50.259 1.00 56.50 ? 279 LEU C CA 1 +ATOM 10516 C C . LEU C 3 261 ? 46.607 -57.946 -50.325 1.00 57.20 ? 279 LEU C C 1 +ATOM 10517 O O . LEU C 3 261 ? 46.191 -57.541 -51.418 1.00 53.31 ? 279 LEU C O 1 +ATOM 10518 C CB . LEU C 3 261 ? 47.122 -60.401 -50.084 1.00 55.67 ? 279 LEU C CB 1 +ATOM 10519 C CG . LEU C 3 261 ? 47.609 -61.394 -51.151 1.00 71.68 ? 279 LEU C CG 1 +ATOM 10520 C CD1 . LEU C 3 261 ? 49.099 -61.696 -51.003 1.00 59.69 ? 279 LEU C CD1 1 +ATOM 10521 C CD2 . LEU C 3 261 ? 46.784 -62.671 -51.090 1.00 66.75 ? 279 LEU C CD2 1 +ATOM 10522 N N . SER C 3 262 ? 46.132 -57.490 -49.159 1.00 52.02 ? 280 SER C N 1 +ATOM 10523 C CA . SER C 3 262 ? 45.118 -56.447 -49.118 1.00 48.96 ? 280 SER C CA 1 +ATOM 10524 C C . SER C 3 262 ? 45.612 -55.197 -49.823 1.00 52.26 ? 280 SER C C 1 +ATOM 10525 O O . SER C 3 262 ? 44.913 -54.618 -50.663 1.00 54.93 ? 280 SER C O 1 +ATOM 10526 C CB . SER C 3 262 ? 44.758 -56.147 -47.659 1.00 55.07 ? 280 SER C CB 1 +ATOM 10527 O OG . SER C 3 262 ? 44.047 -54.930 -47.542 1.00 56.62 ? 280 SER C OG 1 +ATOM 10528 N N . MET C 3 263 ? 46.837 -54.788 -49.511 1.00 52.75 ? 281 MET C N 1 +ATOM 10529 C CA . MET C 3 263 ? 47.434 -53.620 -50.144 1.00 53.04 ? 281 MET C CA 1 +ATOM 10530 C C . MET C 3 263 ? 47.514 -53.785 -51.660 1.00 58.27 ? 281 MET C C 1 +ATOM 10531 O O . MET C 3 263 ? 47.203 -52.853 -52.416 1.00 53.19 ? 281 MET C O 1 +ATOM 10532 C CB . MET C 3 263 ? 48.810 -53.390 -49.527 1.00 51.72 ? 281 MET C CB 1 +ATOM 10533 C CG . MET C 3 263 ? 49.695 -52.434 -50.255 1.00 69.35 ? 281 MET C CG 1 +ATOM 10534 S SD . MET C 3 263 ? 51.158 -52.110 -49.252 1.00 79.81 ? 281 MET C SD 1 +ATOM 10535 C CE . MET C 3 263 ? 52.108 -51.116 -50.395 1.00 83.59 ? 281 MET C CE 1 +ATOM 10536 N N . MET C 3 264 ? 47.909 -54.971 -52.121 1.00 54.39 ? 282 MET C N 1 +ATOM 10537 C CA . MET C 3 264 ? 48.016 -55.226 -53.556 1.00 49.41 ? 282 MET C CA 1 +ATOM 10538 C C . MET C 3 264 ? 46.645 -55.230 -54.219 1.00 45.32 ? 282 MET C C 1 +ATOM 10539 O O . MET C 3 264 ? 46.488 -54.713 -55.326 1.00 53.16 ? 282 MET C O 1 +ATOM 10540 C CB . MET C 3 264 ? 48.741 -56.554 -53.795 1.00 48.23 ? 282 MET C CB 1 +ATOM 10541 C CG . MET C 3 264 ? 50.217 -56.488 -53.456 1.00 53.53 ? 282 MET C CG 1 +ATOM 10542 S SD . MET C 3 264 ? 51.144 -58.000 -53.795 1.00 64.49 ? 282 MET C SD 1 +ATOM 10543 C CE . MET C 3 264 ? 50.791 -58.980 -52.379 1.00 63.46 ? 282 MET C CE 1 +ATOM 10544 N N . GLY C 3 265 ? 45.637 -55.786 -53.547 1.00 50.97 ? 283 GLY C N 1 +ATOM 10545 C CA . GLY C 3 265 ? 44.289 -55.749 -54.093 1.00 50.85 ? 283 GLY C CA 1 +ATOM 10546 C C . GLY C 3 265 ? 43.769 -54.340 -54.295 1.00 48.23 ? 283 GLY C C 1 +ATOM 10547 O O . GLY C 3 265 ? 43.154 -54.043 -55.320 1.00 53.05 ? 283 GLY C O 1 +ATOM 10548 N N . PHE C 3 266 ? 44.006 -53.450 -53.319 1.00 48.58 ? 284 PHE C N 1 +ATOM 10549 C CA . PHE C 3 266 ? 43.613 -52.050 -53.484 1.00 47.76 ? 284 PHE C CA 1 +ATOM 10550 C C . PHE C 3 266 ? 44.364 -51.407 -54.649 1.00 55.07 ? 284 PHE C C 1 +ATOM 10551 O O . PHE C 3 266 ? 43.791 -50.613 -55.400 1.00 46.58 ? 284 PHE C O 1 +ATOM 10552 C CB . PHE C 3 266 ? 43.851 -51.259 -52.191 1.00 48.61 ? 284 PHE C CB 1 +ATOM 10553 C CG . PHE C 3 266 ? 42.890 -51.600 -51.045 1.00 53.71 ? 284 PHE C CG 1 +ATOM 10554 C CD1 . PHE C 3 266 ? 41.512 -51.642 -51.248 1.00 48.07 ? 284 PHE C CD1 1 +ATOM 10555 C CD2 . PHE C 3 266 ? 43.379 -51.845 -49.766 1.00 51.34 ? 284 PHE C CD2 1 +ATOM 10556 C CE1 . PHE C 3 266 ? 40.640 -51.922 -50.209 1.00 50.45 ? 284 PHE C CE1 1 +ATOM 10557 C CE2 . PHE C 3 266 ? 42.508 -52.132 -48.691 1.00 57.37 ? 284 PHE C CE2 1 +ATOM 10558 C CZ . PHE C 3 266 ? 41.137 -52.173 -48.910 1.00 47.95 ? 284 PHE C CZ 1 +ATOM 10559 N N . ILE C 3 267 ? 45.648 -51.736 -54.819 1.00 44.78 ? 285 ILE C N 1 +ATOM 10560 C CA . ILE C 3 267 ? 46.401 -51.154 -55.922 1.00 50.48 ? 285 ILE C CA 1 +ATOM 10561 C C . ILE C 3 267 ? 45.855 -51.666 -57.255 1.00 50.17 ? 285 ILE C C 1 +ATOM 10562 O O . ILE C 3 267 ? 45.673 -50.894 -58.204 1.00 57.79 ? 285 ILE C O 1 +ATOM 10563 C CB . ILE C 3 267 ? 47.909 -51.438 -55.754 1.00 50.36 ? 285 ILE C CB 1 +ATOM 10564 C CG1 . ILE C 3 267 ? 48.483 -50.623 -54.584 1.00 57.74 ? 285 ILE C CG1 1 +ATOM 10565 C CG2 . ILE C 3 267 ? 48.675 -51.121 -57.032 1.00 49.10 ? 285 ILE C CG2 1 +ATOM 10566 C CD1 . ILE C 3 267 ? 49.857 -51.113 -54.078 1.00 51.31 ? 285 ILE C CD1 1 +ATOM 10567 N N . ALA C 3 268 ? 45.536 -52.964 -57.330 1.00 50.65 ? 286 ALA C N 1 +ATOM 10568 C CA . ALA C 3 268 ? 44.984 -53.526 -58.556 1.00 48.29 ? 286 ALA C CA 1 +ATOM 10569 C C . ALA C 3 268 ? 43.639 -52.893 -58.904 1.00 49.66 ? 286 ALA C C 1 +ATOM 10570 O O . ALA C 3 268 ? 43.325 -52.695 -60.086 1.00 50.95 ? 286 ALA C O 1 +ATOM 10571 C CB . ALA C 3 268 ? 44.844 -55.048 -58.415 1.00 49.13 ? 286 ALA C CB 1 +ATOM 10572 N N A THR C 3 269 ? 42.821 -52.592 -57.898 0.40 50.47 ? 287 THR C N 1 +ATOM 10573 N N B THR C 3 269 ? 42.822 -52.603 -57.880 0.60 50.52 ? 287 THR C N 1 +ATOM 10574 C CA A THR C 3 269 ? 41.540 -51.925 -58.127 0.40 51.06 ? 287 THR C CA 1 +ATOM 10575 C CA B THR C 3 269 ? 41.538 -51.942 -58.098 0.60 51.12 ? 287 THR C CA 1 +ATOM 10576 C C A THR C 3 269 ? 41.729 -50.609 -58.866 0.40 48.95 ? 287 THR C C 1 +ATOM 10577 C C B THR C 3 269 ? 41.728 -50.636 -58.847 0.60 48.86 ? 287 THR C C 1 +ATOM 10578 O O A THR C 3 269 ? 41.008 -50.311 -59.828 0.40 53.10 ? 287 THR C O 1 +ATOM 10579 O O B THR C 3 269 ? 41.020 -50.356 -59.821 0.60 53.24 ? 287 THR C O 1 +ATOM 10580 C CB A THR C 3 269 ? 40.829 -51.688 -56.790 0.40 52.44 ? 287 THR C CB 1 +ATOM 10581 C CB B THR C 3 269 ? 40.825 -51.687 -56.761 0.60 52.52 ? 287 THR C CB 1 +ATOM 10582 O OG1 A THR C 3 269 ? 40.488 -52.949 -56.213 0.40 49.33 ? 287 THR C OG1 1 +ATOM 10583 O OG1 B THR C 3 269 ? 40.523 -52.934 -56.131 0.60 49.33 ? 287 THR C OG1 1 +ATOM 10584 C CG2 A THR C 3 269 ? 39.563 -50.862 -56.970 0.40 46.39 ? 287 THR C CG2 1 +ATOM 10585 C CG2 B THR C 3 269 ? 39.521 -50.920 -56.969 0.60 46.34 ? 287 THR C CG2 1 +ATOM 10586 N N A CYS C 3 270 ? 42.701 -49.807 -58.429 0.40 51.54 ? 288 CYS C N 1 +ATOM 10587 N N B CYS C 3 270 ? 42.701 -49.828 -58.417 0.60 51.57 ? 288 CYS C N 1 +ATOM 10588 C CA A CYS C 3 270 ? 42.935 -48.513 -59.062 0.40 49.45 ? 288 CYS C CA 1 +ATOM 10589 C CA B CYS C 3 270 ? 42.921 -48.537 -59.064 0.60 49.37 ? 288 CYS C CA 1 +ATOM 10590 C C A CYS C 3 270 ? 43.615 -48.668 -60.418 0.40 52.00 ? 288 CYS C C 1 +ATOM 10591 C C B CYS C 3 270 ? 43.572 -48.708 -60.431 0.60 52.03 ? 288 CYS C C 1 +ATOM 10592 O O A CYS C 3 270 ? 43.356 -47.889 -61.351 0.40 52.09 ? 288 CYS C O 1 +ATOM 10593 O O B CYS C 3 270 ? 43.235 -47.989 -61.386 0.60 52.36 ? 288 CYS C O 1 +ATOM 10594 C CB A CYS C 3 270 ? 43.773 -47.636 -58.137 0.40 51.24 ? 288 CYS C CB 1 +ATOM 10595 C CB B CYS C 3 270 ? 43.768 -47.644 -58.157 0.60 51.27 ? 288 CYS C CB 1 +ATOM 10596 S SG A CYS C 3 270 ? 42.863 -47.090 -56.682 0.40 52.54 ? 288 CYS C SG 1 +ATOM 10597 S SG B CYS C 3 270 ? 42.895 -47.112 -56.655 0.60 52.47 ? 288 CYS C SG 1 +ATOM 10598 N N . PHE C 3 271 ? 44.502 -49.661 -60.544 1.00 50.07 ? 289 PHE C N 1 +ATOM 10599 C CA . PHE C 3 271 ? 45.155 -49.919 -61.826 1.00 51.39 ? 289 PHE C CA 1 +ATOM 10600 C C . PHE C 3 271 ? 44.141 -50.159 -62.929 1.00 45.54 ? 289 PHE C C 1 +ATOM 10601 O O . PHE C 3 271 ? 44.192 -49.520 -63.977 1.00 50.69 ? 289 PHE C O 1 +ATOM 10602 C CB . PHE C 3 271 ? 46.093 -51.126 -61.717 1.00 53.43 ? 289 PHE C CB 1 +ATOM 10603 C CG . PHE C 3 271 ? 47.527 -50.784 -61.951 1.00 52.97 ? 289 PHE C CG 1 +ATOM 10604 C CD1 . PHE C 3 271 ? 47.945 -50.338 -63.190 1.00 47.19 ? 289 PHE C CD1 1 +ATOM 10605 C CD2 . PHE C 3 271 ? 48.455 -50.889 -60.925 1.00 52.71 ? 289 PHE C CD2 1 +ATOM 10606 C CE1 . PHE C 3 271 ? 49.268 -50.013 -63.406 1.00 55.21 ? 289 PHE C CE1 1 +ATOM 10607 C CE2 . PHE C 3 271 ? 49.783 -50.565 -61.136 1.00 51.29 ? 289 PHE C CE2 1 +ATOM 10608 C CZ . PHE C 3 271 ? 50.188 -50.130 -62.376 1.00 49.23 ? 289 PHE C CZ 1 +ATOM 10609 N N A VAL C 3 272 ? 43.187 -51.063 -62.696 0.40 50.98 ? 290 VAL C N 1 +ATOM 10610 N N B VAL C 3 272 ? 43.222 -51.105 -62.724 0.60 51.13 ? 290 VAL C N 1 +ATOM 10611 C CA A VAL C 3 272 ? 42.229 -51.371 -63.748 0.40 48.41 ? 290 VAL C CA 1 +ATOM 10612 C CA B VAL C 3 272 ? 42.271 -51.417 -63.781 0.60 48.33 ? 290 VAL C CA 1 +ATOM 10613 C C A VAL C 3 272 ? 41.233 -50.232 -63.924 0.40 52.53 ? 290 VAL C C 1 +ATOM 10614 C C B VAL C 3 272 ? 41.264 -50.289 -63.955 0.60 52.60 ? 290 VAL C C 1 +ATOM 10615 O O A VAL C 3 272 ? 40.696 -50.048 -65.024 0.40 54.25 ? 290 VAL C O 1 +ATOM 10616 O O B VAL C 3 272 ? 40.666 -50.155 -65.031 0.60 54.64 ? 290 VAL C O 1 +ATOM 10617 C CB A VAL C 3 272 ? 41.542 -52.731 -63.459 0.40 53.13 ? 290 VAL C CB 1 +ATOM 10618 C CB B VAL C 3 272 ? 41.583 -52.775 -63.497 0.60 53.22 ? 290 VAL C CB 1 +ATOM 10619 C CG1 A VAL C 3 272 ? 40.541 -52.636 -62.306 0.40 46.71 ? 290 VAL C CG1 1 +ATOM 10620 C CG1 B VAL C 3 272 ? 40.682 -52.697 -62.274 0.60 46.55 ? 290 VAL C CG1 1 +ATOM 10621 C CG2 A VAL C 3 272 ? 40.879 -53.306 -64.719 0.40 50.48 ? 290 VAL C CG2 1 +ATOM 10622 C CG2 B VAL C 3 272 ? 40.801 -53.264 -64.715 0.60 50.48 ? 290 VAL C CG2 1 +ATOM 10623 N N A TRP C 3 273 ? 41.010 -49.408 -62.891 0.40 52.16 ? 291 TRP C N 1 +ATOM 10624 N N B TRP C 3 273 ? 41.091 -49.432 -62.942 0.60 52.23 ? 291 TRP C N 1 +ATOM 10625 C CA A TRP C 3 273 ? 40.046 -48.327 -63.057 0.40 50.05 ? 291 TRP C CA 1 +ATOM 10626 C CA B TRP C 3 273 ? 40.134 -48.337 -63.079 0.60 50.06 ? 291 TRP C CA 1 +ATOM 10627 C C A TRP C 3 273 ? 40.634 -47.166 -63.858 0.40 49.92 ? 291 TRP C C 1 +ATOM 10628 C C B TRP C 3 273 ? 40.712 -47.145 -63.829 0.60 50.01 ? 291 TRP C C 1 +ATOM 10629 O O A TRP C 3 273 ? 39.927 -46.551 -64.664 0.40 50.00 ? 291 TRP C O 1 +ATOM 10630 O O B TRP C 3 273 ? 39.980 -46.462 -64.550 0.60 49.66 ? 291 TRP C O 1 +ATOM 10631 C CB A TRP C 3 273 ? 39.533 -47.837 -61.688 0.40 45.25 ? 291 TRP C CB 1 +ATOM 10632 C CB B TRP C 3 273 ? 39.616 -47.885 -61.704 0.60 45.17 ? 291 TRP C CB 1 +ATOM 10633 C CG A TRP C 3 273 ? 38.276 -46.984 -61.805 0.40 46.30 ? 291 TRP C CG 1 +ATOM 10634 C CG B TRP C 3 273 ? 38.380 -47.012 -61.816 0.60 46.35 ? 291 TRP C CG 1 +ATOM 10635 C CD1 A TRP C 3 273 ? 38.155 -45.664 -61.509 0.40 49.10 ? 291 TRP C CD1 1 +ATOM 10636 C CD1 B TRP C 3 273 ? 38.286 -45.680 -61.527 0.60 49.08 ? 291 TRP C CD1 1 +ATOM 10637 C CD2 A TRP C 3 273 ? 36.986 -47.407 -62.294 0.40 48.70 ? 291 TRP C CD2 1 +ATOM 10638 C CD2 B TRP C 3 273 ? 37.083 -47.410 -62.291 0.60 48.75 ? 291 TRP C CD2 1 +ATOM 10639 N NE1 A TRP C 3 273 ? 36.869 -45.233 -61.762 0.40 49.47 ? 291 TRP C NE1 1 +ATOM 10640 N NE1 B TRP C 3 273 ? 37.006 -45.232 -61.766 0.60 49.86 ? 291 TRP C NE1 1 +ATOM 10641 C CE2 A TRP C 3 273 ? 36.129 -46.281 -62.236 0.40 47.52 ? 291 TRP C CE2 1 +ATOM 10642 C CE2 B TRP C 3 273 ? 36.248 -46.273 -62.234 0.60 47.62 ? 291 TRP C CE2 1 +ATOM 10643 C CE3 A TRP C 3 273 ? 36.469 -48.634 -62.754 0.40 49.42 ? 291 TRP C CE3 1 +ATOM 10644 C CE3 B TRP C 3 273 ? 36.543 -48.625 -62.745 0.60 49.55 ? 291 TRP C CE3 1 +ATOM 10645 C CZ2 A TRP C 3 273 ? 34.783 -46.333 -62.630 0.40 42.99 ? 291 TRP C CZ2 1 +ATOM 10646 C CZ2 B TRP C 3 273 ? 34.903 -46.306 -62.617 0.60 42.92 ? 291 TRP C CZ2 1 +ATOM 10647 C CZ3 A TRP C 3 273 ? 35.126 -48.690 -63.154 0.40 45.77 ? 291 TRP C CZ3 1 +ATOM 10648 C CZ3 B TRP C 3 273 ? 35.202 -48.655 -63.137 0.60 45.88 ? 291 TRP C CZ3 1 +ATOM 10649 C CH2 A TRP C 3 273 ? 34.301 -47.538 -63.095 0.40 45.67 ? 291 TRP C CH2 1 +ATOM 10650 C CH2 B TRP C 3 273 ? 34.401 -47.499 -63.069 0.60 45.77 ? 291 TRP C CH2 1 +ATOM 10651 N N A PHE C 3 274 ? 41.918 -46.852 -63.671 0.40 51.27 ? 292 PHE C N 1 +ATOM 10652 N N B PHE C 3 274 ? 42.000 -46.860 -63.683 0.60 51.47 ? 292 PHE C N 1 +ATOM 10653 C CA A PHE C 3 274 ? 42.498 -45.669 -64.305 0.40 44.13 ? 292 PHE C CA 1 +ATOM 10654 C CA B PHE C 3 274 ? 42.565 -45.677 -64.327 0.60 44.08 ? 292 PHE C CA 1 +ATOM 10655 C C A PHE C 3 274 ? 43.425 -45.969 -65.473 0.40 49.48 ? 292 PHE C C 1 +ATOM 10656 C C B PHE C 3 274 ? 43.494 -45.989 -65.487 0.60 49.58 ? 292 PHE C C 1 +ATOM 10657 O O A PHE C 3 274 ? 43.506 -45.159 -66.402 0.40 50.54 ? 292 PHE C O 1 +ATOM 10658 O O B PHE C 3 274 ? 43.558 -45.205 -66.435 0.60 50.63 ? 292 PHE C O 1 +ATOM 10659 C CB A PHE C 3 274 ? 43.288 -44.834 -63.280 0.40 47.80 ? 292 PHE C CB 1 +ATOM 10660 C CB B PHE C 3 274 ? 43.339 -44.825 -63.310 0.60 47.80 ? 292 PHE C CB 1 +ATOM 10661 C CG A PHE C 3 274 ? 42.428 -44.138 -62.268 0.40 47.62 ? 292 PHE C CG 1 +ATOM 10662 C CG B PHE C 3 274 ? 42.463 -44.091 -62.334 0.60 47.58 ? 292 PHE C CG 1 +ATOM 10663 C CD1 A PHE C 3 274 ? 41.811 -42.933 -62.585 0.40 47.41 ? 292 PHE C CD1 1 +ATOM 10664 C CD1 B PHE C 3 274 ? 41.879 -42.878 -62.684 0.60 47.27 ? 292 PHE C CD1 1 +ATOM 10665 C CD2 A PHE C 3 274 ? 42.221 -44.697 -61.000 0.40 45.90 ? 292 PHE C CD2 1 +ATOM 10666 C CD2 B PHE C 3 274 ? 42.226 -44.611 -61.067 0.60 45.92 ? 292 PHE C CD2 1 +ATOM 10667 C CE1 A PHE C 3 274 ? 41.003 -42.269 -61.656 0.40 52.79 ? 292 PHE C CE1 1 +ATOM 10668 C CE1 B PHE C 3 274 ? 41.068 -42.181 -61.779 0.60 52.82 ? 292 PHE C CE1 1 +ATOM 10669 C CE2 A PHE C 3 274 ? 41.419 -44.047 -60.067 0.40 52.32 ? 292 PHE C CE2 1 +ATOM 10670 C CE2 B PHE C 3 274 ? 41.423 -43.926 -60.157 0.60 52.64 ? 292 PHE C CE2 1 +ATOM 10671 C CZ A PHE C 3 274 ? 40.810 -42.818 -60.395 0.40 45.73 ? 292 PHE C CZ 1 +ATOM 10672 C CZ B PHE C 3 274 ? 40.839 -42.709 -60.511 0.60 45.81 ? 292 PHE C CZ 1 +ATOM 10673 N N A ASN C 3 275 ? 44.151 -47.084 -65.451 0.40 48.25 ? 293 ASN C N 1 +ATOM 10674 N N B ASN C 3 275 ? 44.229 -47.097 -65.435 0.60 48.32 ? 293 ASN C N 1 +ATOM 10675 C CA A ASN C 3 275 ? 45.242 -47.278 -66.395 0.40 54.55 ? 293 ASN C CA 1 +ATOM 10676 C CA B ASN C 3 275 ? 45.292 -47.311 -66.405 0.60 54.78 ? 293 ASN C CA 1 +ATOM 10677 C C A ASN C 3 275 ? 44.711 -47.882 -67.691 0.40 46.07 ? 293 ASN C C 1 +ATOM 10678 C C B ASN C 3 275 ? 44.719 -47.889 -67.692 0.60 45.99 ? 293 ASN C C 1 +ATOM 10679 O O A ASN C 3 275 ? 43.999 -48.887 -67.660 0.40 47.56 ? 293 ASN C O 1 +ATOM 10680 O O B ASN C 3 275 ? 43.954 -48.854 -67.656 0.60 47.58 ? 293 ASN C O 1 +ATOM 10681 C CB A ASN C 3 275 ? 46.339 -48.169 -65.803 0.40 46.37 ? 293 ASN C CB 1 +ATOM 10682 C CB B ASN C 3 275 ? 46.372 -48.228 -65.835 0.60 46.26 ? 293 ASN C CB 1 +ATOM 10683 C CG A ASN C 3 275 ? 47.571 -48.216 -66.697 0.40 54.23 ? 293 ASN C CG 1 +ATOM 10684 C CG B ASN C 3 275 ? 47.615 -48.230 -66.684 0.60 54.38 ? 293 ASN C CG 1 +ATOM 10685 O OD1 A ASN C 3 275 ? 47.549 -48.860 -67.741 0.40 51.63 ? 293 ASN C OD1 1 +ATOM 10686 O OD1 B ASN C 3 275 ? 47.631 -48.828 -67.747 0.60 51.80 ? 293 ASN C OD1 1 +ATOM 10687 N ND2 A ASN C 3 275 ? 48.628 -47.499 -66.314 0.40 51.43 ? 293 ASN C ND2 1 +ATOM 10688 N ND2 B ASN C 3 275 ? 48.654 -47.531 -66.235 0.60 51.46 ? 293 ASN C ND2 1 +ATOM 10689 N N . ASN C 3 276 ? 45.067 -47.275 -68.829 1.00 48.14 ? 294 ASN C N 1 +ATOM 10690 C CA . ASN C 3 276 ? 44.644 -47.782 -70.137 1.00 56.47 ? 294 ASN C CA 1 +ATOM 10691 C C . ASN C 3 276 ? 45.831 -48.221 -71.003 1.00 50.99 ? 294 ASN C C 1 +ATOM 10692 O O . ASN C 3 276 ? 45.697 -48.361 -72.219 1.00 50.01 ? 294 ASN C O 1 +ATOM 10693 C CB . ASN C 3 276 ? 43.748 -46.771 -70.883 1.00 46.84 ? 294 ASN C CB 1 +ATOM 10694 C CG . ASN C 3 276 ? 44.447 -45.435 -71.219 1.00 51.26 ? 294 ASN C CG 1 +ATOM 10695 O OD1 . ASN C 3 276 ? 45.600 -45.204 -70.864 1.00 58.53 ? 294 ASN C OD1 1 +ATOM 10696 N ND2 . ASN C 3 276 ? 43.725 -44.552 -71.925 1.00 47.33 ? 294 ASN C ND2 1 +ATOM 10697 N N . THR C 3 277 ? 46.986 -48.474 -70.390 1.00 55.56 ? 295 THR C N 1 +ATOM 10698 C CA . THR C 3 277 ? 48.160 -48.966 -71.098 1.00 52.09 ? 295 THR C CA 1 +ATOM 10699 C C . THR C 3 277 ? 48.323 -50.470 -70.919 1.00 55.05 ? 295 THR C C 1 +ATOM 10700 O O . THR C 3 277 ? 48.327 -51.212 -71.904 1.00 55.01 ? 295 THR C O 1 +ATOM 10701 C CB . THR C 3 277 ? 49.412 -48.232 -70.610 1.00 53.05 ? 295 THR C CB 1 +ATOM 10702 O OG1 . THR C 3 277 ? 49.273 -46.843 -70.901 1.00 54.23 ? 295 THR C OG1 1 +ATOM 10703 C CG2 . THR C 3 277 ? 50.658 -48.759 -71.300 1.00 52.08 ? 295 THR C CG2 1 +ATOM 10704 N N . VAL C 3 278 ? 48.470 -50.933 -69.673 1.00 49.70 ? 296 VAL C N 1 +ATOM 10705 C CA . VAL C 3 278 ? 48.513 -52.366 -69.404 1.00 52.52 ? 296 VAL C CA 1 +ATOM 10706 C C . VAL C 3 278 ? 47.121 -52.958 -69.252 1.00 51.20 ? 296 VAL C C 1 +ATOM 10707 O O . VAL C 3 278 ? 46.991 -54.184 -69.104 1.00 54.74 ? 296 VAL C O 1 +ATOM 10708 C CB . VAL C 3 278 ? 49.366 -52.672 -68.151 1.00 60.93 ? 296 VAL C CB 1 +ATOM 10709 C CG1 . VAL C 3 278 ? 50.798 -52.166 -68.354 1.00 51.10 ? 296 VAL C CG1 1 +ATOM 10710 C CG2 . VAL C 3 278 ? 48.721 -52.072 -66.878 1.00 49.85 ? 296 VAL C CG2 1 +ATOM 10711 N N . TYR C 3 279 ? 46.074 -52.130 -69.260 1.00 49.66 ? 297 TYR C N 1 +ATOM 10712 C CA . TYR C 3 279 ? 44.698 -52.582 -69.429 1.00 48.87 ? 297 TYR C CA 1 +ATOM 10713 C C . TYR C 3 279 ? 44.152 -51.806 -70.619 1.00 57.49 ? 297 TYR C C 1 +ATOM 10714 O O . TYR C 3 279 ? 43.477 -50.775 -70.447 1.00 54.18 ? 297 TYR C O 1 +ATOM 10715 C CB . TYR C 3 279 ? 43.836 -52.367 -68.190 1.00 48.28 ? 297 TYR C CB 1 +ATOM 10716 C CG . TYR C 3 279 ? 44.297 -53.149 -66.983 1.00 56.53 ? 297 TYR C CG 1 +ATOM 10717 C CD1 . TYR C 3 279 ? 43.815 -54.445 -66.733 1.00 48.26 ? 297 TYR C CD1 1 +ATOM 10718 C CD2 . TYR C 3 279 ? 45.222 -52.603 -66.095 1.00 43.53 ? 297 TYR C CD2 1 +ATOM 10719 C CE1 . TYR C 3 279 ? 44.234 -55.160 -65.625 1.00 47.46 ? 297 TYR C CE1 1 +ATOM 10720 C CE2 . TYR C 3 279 ? 45.645 -53.311 -64.987 1.00 53.75 ? 297 TYR C CE2 1 +ATOM 10721 C CZ . TYR C 3 279 ? 45.160 -54.590 -64.764 1.00 52.62 ? 297 TYR C CZ 1 +ATOM 10722 O OH . TYR C 3 279 ? 45.593 -55.283 -63.662 1.00 60.51 ? 297 TYR C OH 1 +ATOM 10723 N N . PRO C 3 280 ? 44.425 -52.271 -71.838 1.00 59.12 ? 298 PRO C N 1 +ATOM 10724 C CA . PRO C 3 280 ? 44.039 -51.504 -73.030 1.00 59.85 ? 298 PRO C CA 1 +ATOM 10725 C C . PRO C 3 280 ? 42.528 -51.392 -73.145 1.00 48.07 ? 298 PRO C C 1 +ATOM 10726 O O . PRO C 3 280 ? 41.795 -52.353 -72.912 1.00 55.94 ? 298 PRO C O 1 +ATOM 10727 C CB . PRO C 3 280 ? 44.633 -52.321 -74.192 1.00 54.89 ? 298 PRO C CB 1 +ATOM 10728 C CG . PRO C 3 280 ? 45.721 -53.162 -73.561 1.00 53.72 ? 298 PRO C CG 1 +ATOM 10729 C CD . PRO C 3 280 ? 45.228 -53.465 -72.168 1.00 57.47 ? 298 PRO C CD 1 +ATOM 10730 N N . SER C 3 281 ? 42.067 -50.204 -73.519 1.00 49.58 ? 299 SER C N 1 +ATOM 10731 C CA . SER C 3 281 ? 40.631 -49.993 -73.631 1.00 50.97 ? 299 SER C CA 1 +ATOM 10732 C C . SER C 3 281 ? 40.028 -50.796 -74.783 1.00 57.88 ? 299 SER C C 1 +ATOM 10733 O O . SER C 3 281 ? 38.839 -51.136 -74.728 1.00 56.36 ? 299 SER C O 1 +ATOM 10734 C CB . SER C 3 281 ? 40.344 -48.494 -73.778 1.00 50.44 ? 299 SER C CB 1 +ATOM 10735 O OG . SER C 3 281 ? 40.857 -47.789 -72.658 1.00 50.56 ? 299 SER C OG 1 +ATOM 10736 N N . GLU C 3 282 ? 40.826 -51.109 -75.822 1.00 47.55 ? 300 GLU C N 1 +ATOM 10737 C CA . GLU C 3 282 ? 40.376 -52.005 -76.895 1.00 56.13 ? 300 GLU C CA 1 +ATOM 10738 C C . GLU C 3 282 ? 39.848 -53.329 -76.344 1.00 50.94 ? 300 GLU C C 1 +ATOM 10739 O O . GLU C 3 282 ? 38.894 -53.907 -76.884 1.00 53.93 ? 300 GLU C O 1 +ATOM 10740 C CB . GLU C 3 282 ? 41.524 -52.297 -77.884 1.00 51.30 ? 300 GLU C CB 1 +ATOM 10741 C CG . GLU C 3 282 ? 42.175 -51.119 -78.575 1.00 61.83 ? 300 GLU C CG 1 +ATOM 10742 C CD . GLU C 3 282 ? 43.386 -50.558 -77.832 1.00 64.62 ? 300 GLU C CD 1 +ATOM 10743 O OE1 . GLU C 3 282 ? 43.294 -50.344 -76.607 1.00 67.61 ? 300 GLU C OE1 1 +ATOM 10744 O OE2 . GLU C 3 282 ? 44.427 -50.309 -78.477 1.00 63.03 ? 300 GLU C OE2 1 +ATOM 10745 N N . PHE C 3 283 ? 40.472 -53.839 -75.284 1.00 52.14 ? 301 PHE C N 1 +ATOM 10746 C CA . PHE C 3 283 ? 40.108 -55.116 -74.680 1.00 48.19 ? 301 PHE C CA 1 +ATOM 10747 C C . PHE C 3 283 ? 39.209 -54.976 -73.453 1.00 56.80 ? 301 PHE C C 1 +ATOM 10748 O O . PHE C 3 283 ? 38.301 -55.792 -73.268 1.00 54.72 ? 301 PHE C O 1 +ATOM 10749 C CB . PHE C 3 283 ? 41.377 -55.884 -74.284 1.00 52.30 ? 301 PHE C CB 1 +ATOM 10750 C CG . PHE C 3 283 ? 42.383 -56.033 -75.405 1.00 62.45 ? 301 PHE C CG 1 +ATOM 10751 C CD1 . PHE C 3 283 ? 41.960 -56.228 -76.730 1.00 58.86 ? 301 PHE C CD1 1 +ATOM 10752 C CD2 . PHE C 3 283 ? 43.754 -55.965 -75.137 1.00 55.73 ? 301 PHE C CD2 1 +ATOM 10753 C CE1 . PHE C 3 283 ? 42.883 -56.361 -77.766 1.00 59.64 ? 301 PHE C CE1 1 +ATOM 10754 C CE2 . PHE C 3 283 ? 44.691 -56.091 -76.172 1.00 58.57 ? 301 PHE C CE2 1 +ATOM 10755 C CZ . PHE C 3 283 ? 44.253 -56.297 -77.493 1.00 57.80 ? 301 PHE C CZ 1 +ATOM 10756 N N . TYR C 3 284 ? 39.432 -53.965 -72.604 1.00 50.61 ? 302 TYR C N 1 +ATOM 10757 C CA . TYR C 3 284 ? 38.700 -53.844 -71.347 1.00 56.62 ? 302 TYR C CA 1 +ATOM 10758 C C . TYR C 3 284 ? 37.560 -52.830 -71.383 1.00 52.37 ? 302 TYR C C 1 +ATOM 10759 O O . TYR C 3 284 ? 36.806 -52.742 -70.396 1.00 53.65 ? 302 TYR C O 1 +ATOM 10760 C CB . TYR C 3 284 ? 39.659 -53.463 -70.197 1.00 48.05 ? 302 TYR C CB 1 +ATOM 10761 C CG . TYR C 3 284 ? 40.632 -54.569 -69.812 1.00 56.98 ? 302 TYR C CG 1 +ATOM 10762 C CD1 . TYR C 3 284 ? 40.274 -55.544 -68.867 1.00 53.39 ? 302 TYR C CD1 1 +ATOM 10763 C CD2 . TYR C 3 284 ? 41.898 -54.653 -70.400 1.00 48.64 ? 302 TYR C CD2 1 +ATOM 10764 C CE1 . TYR C 3 284 ? 41.151 -56.560 -68.502 1.00 45.53 ? 302 TYR C CE1 1 +ATOM 10765 C CE2 . TYR C 3 284 ? 42.785 -55.677 -70.051 1.00 52.95 ? 302 TYR C CE2 1 +ATOM 10766 C CZ . TYR C 3 284 ? 42.404 -56.621 -69.102 1.00 56.28 ? 302 TYR C CZ 1 +ATOM 10767 O OH . TYR C 3 284 ? 43.279 -57.619 -68.745 1.00 53.82 ? 302 TYR C OH 1 +ATOM 10768 N N A GLY C 3 285 ? 37.403 -52.086 -72.487 0.40 51.54 ? 303 GLY C N 1 +ATOM 10769 N N B GLY C 3 285 ? 37.427 -52.070 -72.469 0.60 51.56 ? 303 GLY C N 1 +ATOM 10770 C CA A GLY C 3 285 ? 36.504 -50.955 -72.561 0.40 49.65 ? 303 GLY C CA 1 +ATOM 10771 C CA B GLY C 3 285 ? 36.526 -50.944 -72.534 0.60 49.66 ? 303 GLY C CA 1 +ATOM 10772 C C A GLY C 3 285 ? 37.169 -49.695 -72.027 0.40 52.24 ? 303 GLY C C 1 +ATOM 10773 C C B GLY C 3 285 ? 37.187 -49.686 -72.005 0.60 52.38 ? 303 GLY C C 1 +ATOM 10774 O O A GLY C 3 285 ? 38.201 -49.754 -71.345 0.40 47.75 ? 303 GLY C O 1 +ATOM 10775 O O B GLY C 3 285 ? 38.203 -49.740 -71.296 0.60 47.63 ? 303 GLY C O 1 +ATOM 10776 N N A PRO C 3 286 ? 36.577 -48.536 -72.300 0.40 49.87 ? 304 PRO C N 1 +ATOM 10777 N N B PRO C 3 286 ? 36.609 -48.527 -72.316 0.60 49.92 ? 304 PRO C N 1 +ATOM 10778 C CA A PRO C 3 286 ? 37.176 -47.279 -71.840 0.40 46.85 ? 304 PRO C CA 1 +ATOM 10779 C CA B PRO C 3 286 ? 37.184 -47.270 -71.828 0.60 46.78 ? 304 PRO C CA 1 +ATOM 10780 C C A PRO C 3 286 ? 37.132 -47.166 -70.320 0.40 50.66 ? 304 PRO C C 1 +ATOM 10781 C C B PRO C 3 286 ? 37.128 -47.189 -70.309 0.60 50.84 ? 304 PRO C C 1 +ATOM 10782 O O A PRO C 3 286 ? 36.290 -47.769 -69.647 0.40 46.11 ? 304 PRO C O 1 +ATOM 10783 O O B PRO C 3 286 ? 36.273 -47.800 -69.660 0.60 46.07 ? 304 PRO C O 1 +ATOM 10784 C CB A PRO C 3 286 ? 36.294 -46.218 -72.503 0.40 49.19 ? 304 PRO C CB 1 +ATOM 10785 C CB B PRO C 3 286 ? 36.294 -46.204 -72.471 0.60 49.23 ? 304 PRO C CB 1 +ATOM 10786 C CG A PRO C 3 286 ? 34.937 -46.900 -72.602 0.40 45.95 ? 304 PRO C CG 1 +ATOM 10787 C CG B PRO C 3 286 ? 34.966 -46.909 -72.643 0.60 45.92 ? 304 PRO C CG 1 +ATOM 10788 C CD A PRO C 3 286 ? 35.253 -48.330 -72.924 0.40 48.28 ? 304 PRO C CD 1 +ATOM 10789 C CD B PRO C 3 286 ? 35.312 -48.324 -72.986 0.60 48.30 ? 304 PRO C CD 1 +ATOM 10790 N N A THR C 3 287 ? 38.065 -46.388 -69.767 0.40 43.69 ? 305 THR C N 1 +ATOM 10791 N N B THR C 3 287 ? 38.066 -46.433 -69.737 0.60 43.56 ? 305 THR C N 1 +ATOM 10792 C CA A THR C 3 287 ? 37.932 -46.057 -68.362 0.40 45.12 ? 305 THR C CA 1 +ATOM 10793 C CA B THR C 3 287 ? 37.940 -46.087 -68.334 0.60 45.11 ? 305 THR C CA 1 +ATOM 10794 C C A THR C 3 287 ? 36.778 -45.067 -68.179 0.40 43.99 ? 305 THR C C 1 +ATOM 10795 C C B THR C 3 287 ? 36.788 -45.093 -68.151 0.60 43.93 ? 305 THR C C 1 +ATOM 10796 O O A THR C 3 287 ? 36.272 -44.482 -69.136 0.40 47.05 ? 305 THR C O 1 +ATOM 10797 O O B THR C 3 287 ? 36.271 -44.507 -69.111 0.60 47.14 ? 305 THR C O 1 +ATOM 10798 C CB A THR C 3 287 ? 39.238 -45.480 -67.788 0.40 47.51 ? 305 THR C CB 1 +ATOM 10799 C CB B THR C 3 287 ? 39.250 -45.502 -67.789 0.60 47.57 ? 305 THR C CB 1 +ATOM 10800 O OG1 A THR C 3 287 ? 39.463 -44.159 -68.292 0.40 47.03 ? 305 THR C OG1 1 +ATOM 10801 O OG1 B THR C 3 287 ? 39.427 -44.161 -68.263 0.60 47.11 ? 305 THR C OG1 1 +ATOM 10802 C CG2 A THR C 3 287 ? 40.433 -46.360 -68.125 0.40 50.81 ? 305 THR C CG2 1 +ATOM 10803 C CG2 B THR C 3 287 ? 40.445 -46.341 -68.219 0.60 50.99 ? 305 THR C CG2 1 +ATOM 10804 N N A GLY C 3 288 ? 36.349 -44.899 -66.928 0.40 48.35 ? 306 GLY C N 1 +ATOM 10805 N N B GLY C 3 288 ? 36.370 -44.931 -66.895 0.60 48.56 ? 306 GLY C N 1 +ATOM 10806 C CA A GLY C 3 288 ? 35.348 -43.916 -66.579 0.40 41.65 ? 306 GLY C CA 1 +ATOM 10807 C CA B GLY C 3 288 ? 35.399 -43.930 -66.514 0.60 41.62 ? 306 GLY C CA 1 +ATOM 10808 C C A GLY C 3 288 ? 35.742 -42.508 -66.975 0.40 47.46 ? 306 GLY C C 1 +ATOM 10809 C C B GLY C 3 288 ? 35.794 -42.526 -66.938 0.60 47.53 ? 306 GLY C C 1 +ATOM 10810 O O A GLY C 3 288 ? 34.962 -41.777 -67.596 0.40 44.30 ? 306 GLY C O 1 +ATOM 10811 O O B GLY C 3 288 ? 35.003 -41.799 -67.548 0.60 44.30 ? 306 GLY C O 1 +ATOM 10812 N N A PRO C 3 289 ? 36.958 -42.088 -66.604 0.40 47.78 ? 307 PRO C N 1 +ATOM 10813 N N B PRO C 3 289 ? 37.022 -42.106 -66.610 0.60 47.90 ? 307 PRO C N 1 +ATOM 10814 C CA A PRO C 3 289 ? 37.473 -40.813 -67.137 0.40 43.81 ? 307 PRO C CA 1 +ATOM 10815 C CA B PRO C 3 289 ? 37.507 -40.825 -67.157 0.60 43.73 ? 307 PRO C CA 1 +ATOM 10816 C C A PRO C 3 289 ? 37.447 -40.765 -68.654 0.40 52.19 ? 307 PRO C C 1 +ATOM 10817 C C B PRO C 3 289 ? 37.469 -40.785 -68.673 0.60 52.38 ? 307 PRO C C 1 +ATOM 10818 O O A PRO C 3 289 ? 37.062 -39.744 -69.246 0.40 49.03 ? 307 PRO C O 1 +ATOM 10819 O O B PRO C 3 289 ? 37.085 -39.762 -69.264 0.60 49.13 ? 307 PRO C O 1 +ATOM 10820 C CB A PRO C 3 289 ? 38.909 -40.766 -66.596 0.40 46.00 ? 307 PRO C CB 1 +ATOM 10821 C CB B PRO C 3 289 ? 38.943 -40.738 -66.623 0.60 45.94 ? 307 PRO C CB 1 +ATOM 10822 C CG A PRO C 3 289 ? 38.863 -41.576 -65.339 0.40 45.79 ? 307 PRO C CG 1 +ATOM 10823 C CG B PRO C 3 289 ? 38.919 -41.549 -65.359 0.60 45.73 ? 307 PRO C CG 1 +ATOM 10824 C CD A PRO C 3 289 ? 37.871 -42.683 -65.608 0.40 44.99 ? 307 PRO C CD 1 +ATOM 10825 C CD B PRO C 3 289 ? 37.961 -42.677 -65.623 0.60 45.01 ? 307 PRO C CD 1 +ATOM 10826 N N A GLU C 3 290 ? 37.807 -41.883 -69.292 0.40 47.22 ? 308 GLU C N 1 +ATOM 10827 N N B GLU C 3 290 ? 37.826 -41.903 -69.313 0.60 47.25 ? 308 GLU C N 1 +ATOM 10828 C CA A GLU C 3 290 ? 37.906 -41.933 -70.746 0.40 49.50 ? 308 GLU C CA 1 +ATOM 10829 C CA B GLU C 3 290 ? 37.919 -41.958 -70.766 0.60 49.64 ? 308 GLU C CA 1 +ATOM 10830 C C A GLU C 3 290 ? 36.550 -41.728 -71.402 0.40 45.85 ? 308 GLU C C 1 +ATOM 10831 C C B GLU C 3 290 ? 36.562 -41.736 -71.414 0.60 45.83 ? 308 GLU C C 1 +ATOM 10832 O O A GLU C 3 290 ? 36.419 -40.957 -72.358 0.40 49.08 ? 308 GLU C O 1 +ATOM 10833 O O B GLU C 3 290 ? 36.428 -40.932 -72.345 0.60 49.18 ? 308 GLU C O 1 +ATOM 10834 C CB A GLU C 3 290 ? 38.497 -43.280 -71.174 0.40 48.68 ? 308 GLU C CB 1 +ATOM 10835 C CB B GLU C 3 290 ? 38.495 -43.315 -71.183 0.60 48.66 ? 308 GLU C CB 1 +ATOM 10836 C CG A GLU C 3 290 ? 38.690 -43.435 -72.670 0.40 42.29 ? 308 GLU C CG 1 +ATOM 10837 C CG B GLU C 3 290 ? 38.688 -43.506 -72.671 0.60 42.10 ? 308 GLU C CG 1 +ATOM 10838 C CD A GLU C 3 290 ? 39.707 -44.529 -72.991 0.40 51.90 ? 308 GLU C CD 1 +ATOM 10839 C CD B GLU C 3 290 ? 39.767 -44.539 -72.962 0.60 51.98 ? 308 GLU C CD 1 +ATOM 10840 O OE1 A GLU C 3 290 ? 39.788 -45.521 -72.243 0.40 51.98 ? 308 GLU C OE1 1 +ATOM 10841 O OE1 B GLU C 3 290 ? 39.823 -45.569 -72.255 0.60 52.10 ? 308 GLU C OE1 1 +ATOM 10842 O OE2 A GLU C 3 290 ? 40.438 -44.395 -73.983 0.40 50.37 ? 308 GLU C OE2 1 +ATOM 10843 O OE2 B GLU C 3 290 ? 40.571 -44.320 -73.890 0.60 50.33 ? 308 GLU C OE2 1 +ATOM 10844 N N A ALA C 3 291 ? 35.535 -42.450 -70.926 0.40 50.54 ? 309 ALA C N 1 +ATOM 10845 N N B ALA C 3 291 ? 35.547 -42.466 -70.949 0.60 50.68 ? 309 ALA C N 1 +ATOM 10846 C CA A ALA C 3 291 ? 34.215 -42.360 -71.538 0.40 51.46 ? 309 ALA C CA 1 +ATOM 10847 C CA B ALA C 3 291 ? 34.223 -42.374 -71.554 0.60 51.57 ? 309 ALA C CA 1 +ATOM 10848 C C A ALA C 3 291 ? 33.630 -40.964 -71.366 0.40 51.22 ? 309 ALA C C 1 +ATOM 10849 C C B ALA C 3 291 ? 33.621 -40.990 -71.345 0.60 51.28 ? 309 ALA C C 1 +ATOM 10850 O O A ALA C 3 291 ? 32.948 -40.448 -72.260 0.40 50.09 ? 309 ALA C O 1 +ATOM 10851 O O B ALA C 3 291 ? 32.934 -40.461 -72.230 0.60 50.23 ? 309 ALA C O 1 +ATOM 10852 C CB A ALA C 3 291 ? 33.290 -43.415 -70.927 0.40 46.56 ? 309 ALA C CB 1 +ATOM 10853 C CB B ALA C 3 291 ? 33.312 -43.457 -70.968 0.60 46.51 ? 309 ALA C CB 1 +ATOM 10854 N N A SER C 3 292 ? 33.910 -40.332 -70.223 0.40 49.95 ? 310 SER C N 1 +ATOM 10855 N N B SER C 3 292 ? 33.888 -40.384 -70.182 0.60 50.09 ? 310 SER C N 1 +ATOM 10856 C CA A SER C 3 292 ? 33.396 -38.997 -69.954 0.40 46.50 ? 310 SER C CA 1 +ATOM 10857 C CA B SER C 3 292 ? 33.365 -39.056 -69.889 0.60 46.48 ? 310 SER C CA 1 +ATOM 10858 C C A SER C 3 292 ? 34.049 -37.959 -70.868 0.40 48.20 ? 310 SER C C 1 +ATOM 10859 C C B SER C 3 292 ? 33.993 -38.005 -70.795 0.60 48.22 ? 310 SER C C 1 +ATOM 10860 O O A SER C 3 292 ? 33.375 -37.061 -71.395 0.40 47.01 ? 310 SER C O 1 +ATOM 10861 O O B SER C 3 292 ? 33.303 -37.092 -71.266 0.60 47.25 ? 310 SER C O 1 +ATOM 10862 C CB A SER C 3 292 ? 33.610 -38.674 -68.465 0.40 47.90 ? 310 SER C CB 1 +ATOM 10863 C CB B SER C 3 292 ? 33.604 -38.721 -68.409 0.60 47.86 ? 310 SER C CB 1 +ATOM 10864 O OG A SER C 3 292 ? 33.316 -37.329 -68.167 0.40 42.44 ? 310 SER C OG 1 +ATOM 10865 O OG B SER C 3 292 ? 33.207 -37.395 -68.105 0.60 42.44 ? 310 SER C OG 1 +ATOM 10866 N N A GLN C 3 293 ? 35.364 -38.054 -71.061 0.40 43.75 ? 311 GLN C N 1 +ATOM 10867 N N B GLN C 3 293 ? 35.303 -38.102 -71.034 0.60 43.57 ? 311 GLN C N 1 +ATOM 10868 C CA A GLN C 3 293 ? 36.026 -37.192 -72.038 0.40 43.92 ? 311 GLN C CA 1 +ATOM 10869 C CA B GLN C 3 293 ? 35.943 -37.201 -71.990 0.60 43.95 ? 311 GLN C CA 1 +ATOM 10870 C C A GLN C 3 293 ? 35.497 -37.451 -73.449 0.40 50.32 ? 311 GLN C C 1 +ATOM 10871 C C B GLN C 3 293 ? 35.414 -37.443 -73.400 0.60 50.41 ? 311 GLN C C 1 +ATOM 10872 O O A GLN C 3 293 ? 35.338 -36.519 -74.258 0.40 48.21 ? 311 GLN C O 1 +ATOM 10873 O O B GLN C 3 293 ? 35.208 -36.496 -74.174 0.60 48.30 ? 311 GLN C O 1 +ATOM 10874 C CB A GLN C 3 293 ? 37.534 -37.423 -71.963 0.40 44.85 ? 311 GLN C CB 1 +ATOM 10875 C CB B GLN C 3 293 ? 37.457 -37.392 -71.942 0.60 44.83 ? 311 GLN C CB 1 +ATOM 10876 C CG A GLN C 3 293 ? 38.117 -37.020 -70.604 0.40 45.95 ? 311 GLN C CG 1 +ATOM 10877 C CG B GLN C 3 293 ? 38.091 -37.041 -70.598 0.60 45.85 ? 311 GLN C CG 1 +ATOM 10878 C CD A GLN C 3 293 ? 38.586 -35.571 -70.602 0.40 51.00 ? 311 GLN C CD 1 +ATOM 10879 C CD B GLN C 3 293 ? 38.561 -35.596 -70.554 0.60 51.13 ? 311 GLN C CD 1 +ATOM 10880 O OE1 A GLN C 3 293 ? 39.594 -35.245 -71.227 0.40 49.20 ? 311 GLN C OE1 1 +ATOM 10881 O OE1 B GLN C 3 293 ? 39.551 -35.239 -71.191 0.60 49.27 ? 311 GLN C OE1 1 +ATOM 10882 N NE2 A GLN C 3 293 ? 37.844 -34.692 -69.926 0.40 46.67 ? 311 GLN C NE2 1 +ATOM 10883 N NE2 B GLN C 3 293 ? 37.836 -34.755 -69.824 0.60 46.89 ? 311 GLN C NE2 1 +ATOM 10884 N N A ALA C 3 294 ? 35.200 -38.715 -73.753 0.40 52.07 ? 312 ALA C N 1 +ATOM 10885 N N B ALA C 3 294 ? 35.169 -38.713 -73.739 0.60 52.25 ? 312 ALA C N 1 +ATOM 10886 C CA A ALA C 3 294 ? 34.701 -39.072 -75.076 0.40 48.16 ? 312 ALA C CA 1 +ATOM 10887 C CA B ALA C 3 294 ? 34.692 -39.063 -75.071 0.60 48.18 ? 312 ALA C CA 1 +ATOM 10888 C C A ALA C 3 294 ? 33.334 -38.455 -75.354 0.40 45.34 ? 312 ALA C C 1 +ATOM 10889 C C B ALA C 3 294 ? 33.327 -38.454 -75.362 0.60 45.25 ? 312 ALA C C 1 +ATOM 10890 O O A ALA C 3 294 ? 33.007 -38.181 -76.516 0.40 50.31 ? 312 ALA C O 1 +ATOM 10891 O O B ALA C 3 294 ? 33.021 -38.152 -76.522 0.60 50.44 ? 312 ALA C O 1 +ATOM 10892 C CB A ALA C 3 294 ? 34.646 -40.599 -75.211 0.40 41.12 ? 312 ALA C CB 1 +ATOM 10893 C CB B ALA C 3 294 ? 34.644 -40.590 -75.219 0.60 40.90 ? 312 ALA C CB 1 +ATOM 10894 N N A GLN C 3 295 ? 32.511 -38.249 -74.320 0.40 46.41 ? 313 GLN C N 1 +ATOM 10895 N N B GLN C 3 295 ? 32.485 -38.279 -74.339 0.60 46.40 ? 313 GLN C N 1 +ATOM 10896 C CA A GLN C 3 295 ? 31.222 -37.597 -74.542 0.40 47.02 ? 313 GLN C CA 1 +ATOM 10897 C CA B GLN C 3 295 ? 31.204 -37.615 -74.569 0.60 47.01 ? 313 GLN C CA 1 +ATOM 10898 C C A GLN C 3 295 ? 31.421 -36.146 -74.952 0.40 49.85 ? 313 GLN C C 1 +ATOM 10899 C C B GLN C 3 295 ? 31.418 -36.158 -74.944 0.60 49.99 ? 313 GLN C C 1 +ATOM 10900 O O A GLN C 3 295 ? 30.786 -35.660 -75.897 0.40 49.02 ? 313 GLN C O 1 +ATOM 10901 O O B GLN C 3 295 ? 30.788 -35.647 -75.877 0.60 49.05 ? 313 GLN C O 1 +ATOM 10902 C CB A GLN C 3 295 ? 30.342 -37.665 -73.290 0.40 44.21 ? 313 GLN C CB 1 +ATOM 10903 C CB B GLN C 3 295 ? 30.296 -37.707 -73.341 0.60 44.25 ? 313 GLN C CB 1 +ATOM 10904 C CG A GLN C 3 295 ? 29.065 -36.808 -73.472 0.40 43.77 ? 313 GLN C CG 1 +ATOM 10905 C CG B GLN C 3 295 ? 29.006 -36.883 -73.542 0.60 43.67 ? 313 GLN C CG 1 +ATOM 10906 C CD A GLN C 3 295 ? 28.006 -37.003 -72.401 0.40 51.02 ? 313 GLN C CD 1 +ATOM 10907 C CD B GLN C 3 295 ? 27.999 -37.023 -72.415 0.60 51.17 ? 313 GLN C CD 1 +ATOM 10908 O OE1 A GLN C 3 295 ? 26.840 -37.234 -72.717 0.40 43.93 ? 313 GLN C OE1 1 +ATOM 10909 O OE1 B GLN C 3 295 ? 26.822 -37.289 -72.662 0.60 43.84 ? 313 GLN C OE1 1 +ATOM 10910 N NE2 A GLN C 3 295 ? 28.394 -36.864 -71.130 0.40 42.61 ? 313 GLN C NE2 1 +ATOM 10911 N NE2 B GLN C 3 295 ? 28.449 -36.815 -71.172 0.60 42.52 ? 313 GLN C NE2 1 +ATOM 10912 N N A ALA C 3 296 ? 32.285 -35.430 -74.224 0.40 45.85 ? 314 ALA C N 1 +ATOM 10913 N N B ALA C 3 296 ? 32.305 -35.470 -74.220 0.60 45.80 ? 314 ALA C N 1 +ATOM 10914 C CA A ALA C 3 296 ? 32.557 -34.042 -74.575 0.40 49.74 ? 314 ALA C CA 1 +ATOM 10915 C CA B ALA C 3 296 ? 32.601 -34.084 -74.558 0.60 49.87 ? 314 ALA C CA 1 +ATOM 10916 C C A ALA C 3 296 ? 33.078 -33.949 -76.003 0.40 46.56 ? 314 ALA C C 1 +ATOM 10917 C C B ALA C 3 296 ? 33.116 -33.981 -75.986 0.60 46.42 ? 314 ALA C C 1 +ATOM 10918 O O A ALA C 3 296 ? 32.633 -33.104 -76.791 0.40 53.43 ? 314 ALA C O 1 +ATOM 10919 O O B ALA C 3 296 ? 32.694 -33.102 -76.751 0.60 53.72 ? 314 ALA C O 1 +ATOM 10920 C CB A ALA C 3 296 ? 33.551 -33.440 -73.574 0.40 39.07 ? 314 ALA C CB 1 +ATOM 10921 C CB B ALA C 3 296 ? 33.614 -33.509 -73.567 0.60 39.06 ? 314 ALA C CB 1 +ATOM 10922 N N A MET C 3 297 ? 33.987 -34.852 -76.364 0.40 49.31 ? 315 MET C N 1 +ATOM 10923 N N B MET C 3 297 ? 34.007 -34.898 -76.368 0.60 49.37 ? 315 MET C N 1 +ATOM 10924 C CA A MET C 3 297 ? 34.547 -34.875 -77.710 0.40 47.57 ? 315 MET C CA 1 +ATOM 10925 C CA B MET C 3 297 ? 34.552 -34.910 -77.721 0.60 47.47 ? 315 MET C CA 1 +ATOM 10926 C C A MET C 3 297 ? 33.473 -35.129 -78.762 0.40 49.43 ? 315 MET C C 1 +ATOM 10927 C C B MET C 3 297 ? 33.466 -35.144 -78.763 0.60 49.40 ? 315 MET C C 1 +ATOM 10928 O O A MET C 3 297 ? 33.460 -34.479 -79.813 0.40 53.43 ? 315 MET C O 1 +ATOM 10929 O O B MET C 3 297 ? 33.450 -34.490 -79.814 0.60 53.56 ? 315 MET C O 1 +ATOM 10930 C CB A MET C 3 297 ? 35.631 -35.944 -77.781 0.40 52.44 ? 315 MET C CB 1 +ATOM 10931 C CB B MET C 3 297 ? 35.623 -35.989 -77.819 0.60 52.41 ? 315 MET C CB 1 +ATOM 10932 C CG A MET C 3 297 ? 36.063 -36.286 -79.189 0.40 66.04 ? 315 MET C CG 1 +ATOM 10933 C CG B MET C 3 297 ? 36.055 -36.306 -79.226 0.60 66.34 ? 315 MET C CG 1 +ATOM 10934 S SD A MET C 3 297 ? 37.717 -35.698 -79.519 0.40 65.02 ? 315 MET C SD 1 +ATOM 10935 S SD B MET C 3 297 ? 37.738 -35.767 -79.508 0.60 65.45 ? 315 MET C SD 1 +ATOM 10936 C CE A MET C 3 297 ? 37.346 -33.989 -79.663 0.40 64.12 ? 315 MET C CE 1 +ATOM 10937 C CE B MET C 3 297 ? 37.419 -34.042 -79.766 0.60 64.31 ? 315 MET C CE 1 +ATOM 10938 N N A THR C 3 298 ? 32.560 -36.064 -78.489 0.40 48.70 ? 316 THR C N 1 +ATOM 10939 N N B THR C 3 298 ? 32.556 -36.080 -78.491 0.60 48.74 ? 316 THR C N 1 +ATOM 10940 C CA A THR C 3 298 ? 31.492 -36.388 -79.432 0.40 46.58 ? 316 THR C CA 1 +ATOM 10941 C CA B THR C 3 298 ? 31.495 -36.398 -79.441 0.60 46.54 ? 316 THR C CA 1 +ATOM 10942 C C A THR C 3 298 ? 30.639 -35.165 -79.744 0.40 49.18 ? 316 THR C C 1 +ATOM 10943 C C B THR C 3 298 ? 30.635 -35.178 -79.740 0.60 49.19 ? 316 THR C C 1 +ATOM 10944 O O A THR C 3 298 ? 30.339 -34.888 -80.913 0.40 49.87 ? 316 THR C O 1 +ATOM 10945 O O B THR C 3 298 ? 30.327 -34.897 -80.905 0.60 49.95 ? 316 THR C O 1 +ATOM 10946 C CB A THR C 3 298 ? 30.628 -37.518 -78.859 0.40 47.93 ? 316 THR C CB 1 +ATOM 10947 C CB B THR C 3 298 ? 30.639 -37.548 -78.899 0.60 48.01 ? 316 THR C CB 1 +ATOM 10948 O OG1 A THR C 3 298 ? 31.411 -38.706 -78.790 0.40 42.43 ? 316 THR C OG1 1 +ATOM 10949 O OG1 B THR C 3 298 ? 31.445 -38.725 -78.790 0.60 42.35 ? 316 THR C OG1 1 +ATOM 10950 C CG2 A THR C 3 298 ? 29.370 -37.775 -79.709 0.40 41.63 ? 316 THR C CG2 1 +ATOM 10951 C CG2 B THR C 3 298 ? 29.447 -37.839 -79.802 0.60 41.36 ? 316 THR C CG2 1 +ATOM 10952 N N A PHE C 3 299 ? 30.276 -34.392 -78.722 0.40 49.94 ? 317 PHE C N 1 +ATOM 10953 N N B PHE C 3 299 ? 30.266 -34.412 -78.711 0.60 49.95 ? 317 PHE C N 1 +ATOM 10954 C CA A PHE C 3 299 ? 29.349 -33.294 -78.972 0.40 54.81 ? 317 PHE C CA 1 +ATOM 10955 C CA B PHE C 3 299 ? 29.348 -33.308 -78.965 0.60 55.00 ? 317 PHE C CA 1 +ATOM 10956 C C A PHE C 3 299 ? 30.066 -32.057 -79.476 0.40 51.45 ? 317 PHE C C 1 +ATOM 10957 C C B PHE C 3 299 ? 30.069 -32.069 -79.476 0.60 51.51 ? 317 PHE C C 1 +ATOM 10958 O O A PHE C 3 299 ? 29.482 -31.289 -80.247 0.40 48.25 ? 317 PHE C O 1 +ATOM 10959 O O B PHE C 3 299 ? 29.490 -31.305 -80.256 0.60 48.20 ? 317 PHE C O 1 +ATOM 10960 C CB A PHE C 3 299 ? 28.501 -33.023 -77.723 0.40 46.12 ? 317 PHE C CB 1 +ATOM 10961 C CB B PHE C 3 299 ? 28.505 -33.040 -77.717 0.60 46.04 ? 317 PHE C CB 1 +ATOM 10962 C CG A PHE C 3 299 ? 27.431 -34.036 -77.570 0.40 46.92 ? 317 PHE C CG 1 +ATOM 10963 C CG B PHE C 3 299 ? 27.417 -34.039 -77.564 0.60 46.88 ? 317 PHE C CG 1 +ATOM 10964 C CD1 A PHE C 3 299 ? 26.246 -33.905 -78.282 0.40 51.19 ? 317 PHE C CD1 1 +ATOM 10965 C CD1 B PHE C 3 299 ? 26.207 -33.859 -78.210 0.60 51.18 ? 317 PHE C CD1 1 +ATOM 10966 C CD2 A PHE C 3 299 ? 27.666 -35.204 -76.863 0.40 48.24 ? 317 PHE C CD2 1 +ATOM 10967 C CD2 B PHE C 3 299 ? 27.643 -35.224 -76.885 0.60 48.27 ? 317 PHE C CD2 1 +ATOM 10968 C CE1 A PHE C 3 299 ? 25.274 -34.896 -78.221 0.40 50.59 ? 317 PHE C CE1 1 +ATOM 10969 C CE1 B PHE C 3 299 ? 25.213 -34.823 -78.138 0.60 50.88 ? 317 PHE C CE1 1 +ATOM 10970 C CE2 A PHE C 3 299 ? 26.704 -36.201 -76.805 0.40 52.02 ? 317 PHE C CE2 1 +ATOM 10971 C CE2 B PHE C 3 299 ? 26.653 -36.192 -76.802 0.60 52.14 ? 317 PHE C CE2 1 +ATOM 10972 C CZ A PHE C 3 299 ? 25.501 -36.047 -77.486 0.40 48.65 ? 317 PHE C CZ 1 +ATOM 10973 C CZ B PHE C 3 299 ? 25.434 -35.990 -77.432 0.60 48.75 ? 317 PHE C CZ 1 +ATOM 10974 N N . LEU C 3 300 ? 31.332 -31.879 -79.091 1.00 48.03 ? 318 LEU C N 1 +ATOM 10975 C CA . LEU C 3 300 ? 32.155 -30.873 -79.743 1.00 53.64 ? 318 LEU C CA 1 +ATOM 10976 C C . LEU C 3 300 ? 32.195 -31.122 -81.251 1.00 59.00 ? 318 LEU C C 1 +ATOM 10977 O O . LEU C 3 300 ? 31.998 -30.195 -82.050 1.00 59.19 ? 318 LEU C O 1 +ATOM 10978 C CB . LEU C 3 300 ? 33.562 -30.891 -79.147 1.00 48.35 ? 318 LEU C CB 1 +ATOM 10979 C CG . LEU C 3 300 ? 34.540 -29.822 -79.633 1.00 63.07 ? 318 LEU C CG 1 +ATOM 10980 C CD1 . LEU C 3 300 ? 35.559 -29.483 -78.549 1.00 51.08 ? 318 LEU C CD1 1 +ATOM 10981 C CD2 . LEU C 3 300 ? 35.241 -30.268 -80.922 1.00 61.75 ? 318 LEU C CD2 1 +ATOM 10982 N N . ILE C 3 301 ? 32.435 -32.378 -81.652 1.00 52.19 ? 319 ILE C N 1 +ATOM 10983 C CA . ILE C 3 301 ? 32.508 -32.724 -83.070 1.00 48.68 ? 319 ILE C CA 1 +ATOM 10984 C C . ILE C 3 301 ? 31.159 -32.505 -83.742 1.00 51.22 ? 319 ILE C C 1 +ATOM 10985 O O . ILE C 3 301 ? 31.076 -31.953 -84.845 1.00 51.41 ? 319 ILE C O 1 +ATOM 10986 C CB . ILE C 3 301 ? 32.976 -34.182 -83.247 1.00 51.71 ? 319 ILE C CB 1 +ATOM 10987 C CG1 . ILE C 3 301 ? 34.442 -34.343 -82.836 1.00 50.57 ? 319 ILE C CG1 1 +ATOM 10988 C CG2 . ILE C 3 301 ? 32.762 -34.631 -84.703 1.00 48.57 ? 319 ILE C CG2 1 +ATOM 10989 C CD1 . ILE C 3 301 ? 34.929 -35.774 -82.838 1.00 48.60 ? 319 ILE C CD1 1 +ATOM 10990 N N . ARG C 3 302 ? 30.081 -32.964 -83.102 1.00 54.16 ? 320 ARG C N 1 +ATOM 10991 C CA . ARG C 3 302 ? 28.766 -32.798 -83.710 1.00 54.50 ? 320 ARG C CA 1 +ATOM 10992 C C . ARG C 3 302 ? 28.446 -31.325 -83.911 1.00 55.16 ? 320 ARG C C 1 +ATOM 10993 O O . ARG C 3 302 ? 28.015 -30.912 -84.992 1.00 58.52 ? 320 ARG C O 1 +ATOM 10994 C CB . ARG C 3 302 ? 27.680 -33.456 -82.862 1.00 44.74 ? 320 ARG C CB 1 +ATOM 10995 C CG . ARG C 3 302 ? 26.309 -33.315 -83.519 1.00 53.08 ? 320 ARG C CG 1 +ATOM 10996 C CD . ARG C 3 302 ? 25.159 -33.553 -82.575 1.00 47.32 ? 320 ARG C CD 1 +ATOM 10997 N NE . ARG C 3 302 ? 24.941 -32.383 -81.741 1.00 52.57 ? 320 ARG C NE 1 +ATOM 10998 C CZ . ARG C 3 302 ? 23.841 -32.150 -81.041 1.00 59.16 ? 320 ARG C CZ 1 +ATOM 10999 N NH1 . ARG C 3 302 ? 22.818 -32.990 -81.062 1.00 58.55 ? 320 ARG C NH1 1 +ATOM 11000 N NH2 . ARG C 3 302 ? 23.758 -31.040 -80.311 1.00 51.80 ? 320 ARG C NH2 1 +ATOM 11001 N N . ASP C 3 303 ? 28.648 -30.516 -82.875 1.00 54.03 ? 321 ASP C N 1 +ATOM 11002 C CA . ASP C 3 303 ? 28.219 -29.122 -82.939 1.00 48.01 ? 321 ASP C CA 1 +ATOM 11003 C C . ASP C 3 303 ? 29.115 -28.314 -83.865 1.00 47.62 ? 321 ASP C C 1 +ATOM 11004 O O . ASP C 3 303 ? 28.641 -27.421 -84.568 1.00 51.46 ? 321 ASP C O 1 +ATOM 11005 C CB . ASP C 3 303 ? 28.192 -28.518 -81.531 1.00 45.65 ? 321 ASP C CB 1 +ATOM 11006 C CG . ASP C 3 303 ? 27.095 -29.118 -80.659 1.00 56.07 ? 321 ASP C CG 1 +ATOM 11007 O OD1 . ASP C 3 303 ? 26.363 -30.020 -81.136 1.00 53.12 ? 321 ASP C OD1 1 +ATOM 11008 O OD2 . ASP C 3 303 ? 26.969 -28.687 -79.491 1.00 52.85 ? 321 ASP C OD2 1 +ATOM 11009 N N . GLN C 3 304 ? 30.413 -28.608 -83.878 1.00 54.58 ? 322 GLN C N 1 +ATOM 11010 C CA . GLN C 3 304 ? 31.298 -27.924 -84.813 1.00 52.73 ? 322 GLN C CA 1 +ATOM 11011 C C . GLN C 3 304 ? 30.899 -28.221 -86.261 1.00 59.75 ? 322 GLN C C 1 +ATOM 11012 O O . GLN C 3 304 ? 30.951 -27.332 -87.119 1.00 51.84 ? 322 GLN C O 1 +ATOM 11013 C CB . GLN C 3 304 ? 32.750 -28.326 -84.540 1.00 54.22 ? 322 GLN C CB 1 +ATOM 11014 C CG . GLN C 3 304 ? 33.747 -27.685 -85.490 1.00 57.18 ? 322 GLN C CG 1 +ATOM 11015 C CD . GLN C 3 304 ? 35.180 -27.859 -85.050 1.00 55.60 ? 322 GLN C CD 1 +ATOM 11016 O OE1 . GLN C 3 304 ? 35.833 -26.904 -84.644 1.00 61.51 ? 322 GLN C OE1 1 +ATOM 11017 N NE2 . GLN C 3 304 ? 35.683 -29.082 -85.135 1.00 54.46 ? 322 GLN C NE2 1 +ATOM 11018 N N . LYS C 3 305 ? 30.464 -29.458 -86.542 1.00 58.01 ? 323 LYS C N 1 +ATOM 11019 C CA . LYS C 3 305 ? 29.986 -29.783 -87.885 1.00 60.33 ? 323 LYS C CA 1 +ATOM 11020 C C . LYS C 3 305 ? 28.756 -28.976 -88.237 1.00 55.55 ? 323 LYS C C 1 +ATOM 11021 O O . LYS C 3 305 ? 28.500 -28.736 -89.416 1.00 62.45 ? 323 LYS C O 1 +ATOM 11022 C CB . LYS C 3 305 ? 29.644 -31.276 -88.026 1.00 49.35 ? 323 LYS C CB 1 +ATOM 11023 C CG . LYS C 3 305 ? 30.801 -32.237 -88.304 1.00 67.58 ? 323 LYS C CG 1 +ATOM 11024 C CD . LYS C 3 305 ? 30.275 -33.691 -88.263 1.00 59.44 ? 323 LYS C CD 1 +ATOM 11025 C CE . LYS C 3 305 ? 31.360 -34.739 -88.434 1.00 62.73 ? 323 LYS C CE 1 +ATOM 11026 N NZ . LYS C 3 305 ? 30.797 -36.130 -88.213 1.00 62.64 ? 323 LYS C NZ 1 +ATOM 11027 N N . LEU C 3 306 ? 27.954 -28.598 -87.242 1.00 56.40 ? 324 LEU C N 1 +ATOM 11028 C CA . LEU C 3 306 ? 26.778 -27.787 -87.517 1.00 56.25 ? 324 LEU C CA 1 +ATOM 11029 C C . LEU C 3 306 ? 27.113 -26.305 -87.623 1.00 59.41 ? 324 LEU C C 1 +ATOM 11030 O O . LEU C 3 306 ? 26.214 -25.496 -87.895 1.00 52.19 ? 324 LEU C O 1 +ATOM 11031 C CB . LEU C 3 306 ? 25.710 -28.028 -86.440 1.00 59.20 ? 324 LEU C CB 1 +ATOM 11032 C CG . LEU C 3 306 ? 25.071 -29.431 -86.427 1.00 60.32 ? 324 LEU C CG 1 +ATOM 11033 C CD1 . LEU C 3 306 ? 24.230 -29.638 -85.185 1.00 60.22 ? 324 LEU C CD1 1 +ATOM 11034 C CD2 . LEU C 3 306 ? 24.225 -29.659 -87.657 1.00 53.26 ? 324 LEU C CD2 1 +ATOM 11035 N N . GLY C 3 307 ? 28.377 -25.935 -87.414 1.00 55.51 ? 325 GLY C N 1 +ATOM 11036 C CA . GLY C 3 307 ? 28.827 -24.575 -87.572 1.00 53.46 ? 325 GLY C CA 1 +ATOM 11037 C C . GLY C 3 307 ? 29.138 -23.821 -86.300 1.00 61.31 ? 325 GLY C C 1 +ATOM 11038 O O . GLY C 3 307 ? 29.305 -22.597 -86.357 1.00 63.14 ? 325 GLY C O 1 +ATOM 11039 N N . ALA C 3 308 ? 29.223 -24.485 -85.157 1.00 56.24 ? 326 ALA C N 1 +ATOM 11040 C CA . ALA C 3 308 ? 29.514 -23.765 -83.921 1.00 56.99 ? 326 ALA C CA 1 +ATOM 11041 C C . ALA C 3 308 ? 31.007 -23.485 -83.817 1.00 56.47 ? 326 ALA C C 1 +ATOM 11042 O O . ALA C 3 308 ? 31.840 -24.302 -84.225 1.00 51.35 ? 326 ALA C O 1 +ATOM 11043 C CB . ALA C 3 308 ? 29.045 -24.564 -82.704 1.00 52.13 ? 326 ALA C CB 1 +ATOM 11044 N N . ASN C 3 309 ? 31.343 -22.311 -83.290 1.00 50.37 ? 327 ASN C N 1 +ATOM 11045 C CA . ASN C 3 309 ? 32.720 -21.994 -82.924 1.00 56.20 ? 327 ASN C CA 1 +ATOM 11046 C C . ASN C 3 309 ? 32.898 -22.477 -81.494 1.00 54.57 ? 327 ASN C C 1 +ATOM 11047 O O . ASN C 3 309 ? 32.522 -21.793 -80.539 1.00 56.05 ? 327 ASN C O 1 +ATOM 11048 C CB . ASN C 3 309 ? 33.003 -20.501 -83.058 1.00 55.06 ? 327 ASN C CB 1 +ATOM 11049 C CG . ASN C 3 309 ? 32.919 -20.008 -84.515 1.00 63.84 ? 327 ASN C CG 1 +ATOM 11050 O OD1 . ASN C 3 309 ? 33.182 -20.754 -85.453 1.00 68.31 ? 327 ASN C OD1 1 +ATOM 11051 N ND2 . ASN C 3 309 ? 32.561 -18.752 -84.689 1.00 72.82 ? 327 ASN C ND2 1 +ATOM 11052 N N . VAL C 3 310 ? 33.449 -23.676 -81.343 1.00 55.09 ? 328 VAL C N 1 +ATOM 11053 C CA . VAL C 3 310 ? 33.463 -24.288 -80.031 1.00 51.00 ? 328 VAL C CA 1 +ATOM 11054 C C . VAL C 3 310 ? 34.436 -23.574 -79.103 1.00 61.18 ? 328 VAL C C 1 +ATOM 11055 O O . VAL C 3 310 ? 34.255 -23.604 -77.877 1.00 55.54 ? 328 VAL C O 1 +ATOM 11056 C CB . VAL C 3 310 ? 33.754 -25.795 -80.186 1.00 60.55 ? 328 VAL C CB 1 +ATOM 11057 C CG1 . VAL C 3 310 ? 32.633 -26.457 -80.983 1.00 46.70 ? 328 VAL C CG1 1 +ATOM 11058 C CG2 . VAL C 3 310 ? 35.075 -26.030 -80.883 1.00 51.36 ? 328 VAL C CG2 1 +ATOM 11059 N N . GLY C 3 311 ? 35.436 -22.882 -79.655 1.00 56.13 ? 329 GLY C N 1 +ATOM 11060 C CA . GLY C 3 311 ? 36.391 -22.180 -78.817 1.00 48.90 ? 329 GLY C CA 1 +ATOM 11061 C C . GLY C 3 311 ? 35.787 -21.019 -78.050 1.00 53.41 ? 329 GLY C C 1 +ATOM 11062 O O . GLY C 3 311 ? 36.211 -20.728 -76.928 1.00 52.97 ? 329 GLY C O 1 +ATOM 11063 N N . SER C 3 312 ? 34.787 -20.355 -78.623 1.00 50.17 ? 330 SER C N 1 +ATOM 11064 C CA . SER C 3 312 ? 34.224 -19.141 -78.043 1.00 54.21 ? 330 SER C CA 1 +ATOM 11065 C C . SER C 3 312 ? 32.786 -19.318 -77.568 1.00 54.52 ? 330 SER C C 1 +ATOM 11066 O O . SER C 3 312 ? 32.130 -18.321 -77.228 1.00 51.45 ? 330 SER C O 1 +ATOM 11067 C CB . SER C 3 312 ? 34.293 -17.998 -79.055 1.00 52.71 ? 330 SER C CB 1 +ATOM 11068 O OG . SER C 3 312 ? 33.730 -18.406 -80.287 1.00 59.15 ? 330 SER C OG 1 +ATOM 11069 N N . ALA C 3 313 ? 32.271 -20.547 -77.563 1.00 44.48 ? 331 ALA C N 1 +ATOM 11070 C CA . ALA C 3 313 ? 30.919 -20.818 -77.087 1.00 52.90 ? 331 ALA C CA 1 +ATOM 11071 C C . ALA C 3 313 ? 30.905 -20.769 -75.560 1.00 51.45 ? 331 ALA C C 1 +ATOM 11072 O O . ALA C 3 313 ? 31.523 -21.611 -74.892 1.00 52.25 ? 331 ALA C O 1 +ATOM 11073 C CB . ALA C 3 313 ? 30.431 -22.171 -77.593 1.00 43.94 ? 331 ALA C CB 1 +ATOM 11074 N N . GLN C 3 314 ? 30.201 -19.783 -75.017 1.00 51.87 ? 332 GLN C N 1 +ATOM 11075 C CA . GLN C 3 314 ? 30.049 -19.589 -73.580 1.00 51.64 ? 332 GLN C CA 1 +ATOM 11076 C C . GLN C 3 314 ? 28.852 -20.403 -73.092 1.00 49.15 ? 332 GLN C C 1 +ATOM 11077 O O . GLN C 3 314 ? 27.742 -20.236 -73.606 1.00 50.92 ? 332 GLN C O 1 +ATOM 11078 C CB . GLN C 3 314 ? 29.859 -18.095 -73.303 1.00 50.28 ? 332 GLN C CB 1 +ATOM 11079 C CG . GLN C 3 314 ? 29.534 -17.688 -71.863 1.00 49.81 ? 332 GLN C CG 1 +ATOM 11080 C CD . GLN C 3 314 ? 28.970 -16.296 -71.774 1.00 53.34 ? 332 GLN C CD 1 +ATOM 11081 O OE1 . GLN C 3 314 ? 28.846 -15.611 -72.787 1.00 56.37 ? 332 GLN C OE1 1 +ATOM 11082 N NE2 . GLN C 3 314 ? 28.620 -15.862 -70.571 1.00 52.21 ? 332 GLN C NE2 1 +ATOM 11083 N N A GLY C 3 315 ? 29.077 -21.295 -72.110 0.40 45.88 ? 333 GLY C N 1 +ATOM 11084 N N B GLY C 3 315 ? 29.087 -21.282 -72.110 0.60 45.89 ? 333 GLY C N 1 +ATOM 11085 C CA A GLY C 3 315 ? 28.016 -22.099 -71.552 0.40 47.26 ? 333 GLY C CA 1 +ATOM 11086 C CA B GLY C 3 315 ? 28.033 -22.085 -71.540 0.60 47.25 ? 333 GLY C CA 1 +ATOM 11087 C C A GLY C 3 315 ? 27.225 -21.331 -70.510 0.40 52.01 ? 333 GLY C C 1 +ATOM 11088 C C B GLY C 3 315 ? 27.246 -21.332 -70.488 0.60 52.08 ? 333 GLY C C 1 +ATOM 11089 O O A GLY C 3 315 ? 27.532 -20.182 -70.172 0.40 50.18 ? 333 GLY C O 1 +ATOM 11090 O O B GLY C 3 315 ? 27.537 -20.175 -70.141 0.60 50.21 ? 333 GLY C O 1 +ATOM 11091 N N A PRO C 3 316 ? 26.175 -21.974 -69.983 0.40 53.17 ? 334 PRO C N 1 +ATOM 11092 N N B PRO C 3 316 ? 26.213 -21.994 -69.959 0.60 53.26 ? 334 PRO C N 1 +ATOM 11093 C CA A PRO C 3 316 ? 25.238 -21.250 -69.099 0.40 46.88 ? 334 PRO C CA 1 +ATOM 11094 C CA B PRO C 3 316 ? 25.274 -21.285 -69.071 0.60 46.77 ? 334 PRO C CA 1 +ATOM 11095 C C A PRO C 3 316 ? 25.886 -20.700 -67.842 0.40 48.38 ? 334 PRO C C 1 +ATOM 11096 C C B PRO C 3 316 ? 25.911 -20.746 -67.808 0.60 48.46 ? 334 PRO C C 1 +ATOM 11097 O O A PRO C 3 316 ? 25.437 -19.670 -67.326 0.40 46.37 ? 334 PRO C O 1 +ATOM 11098 O O B PRO C 3 316 ? 25.420 -19.758 -67.252 0.60 46.15 ? 334 PRO C O 1 +ATOM 11099 C CB A PRO C 3 316 ? 24.174 -22.307 -68.772 0.40 51.98 ? 334 PRO C CB 1 +ATOM 11100 C CB B PRO C 3 316 ? 24.217 -22.353 -68.758 0.60 52.05 ? 334 PRO C CB 1 +ATOM 11101 C CG A PRO C 3 316 ? 24.269 -23.303 -69.853 0.40 52.61 ? 334 PRO C CG 1 +ATOM 11102 C CG B PRO C 3 316 ? 24.330 -23.333 -69.852 0.60 52.76 ? 334 PRO C CG 1 +ATOM 11103 C CD A PRO C 3 316 ? 25.716 -23.340 -70.282 0.40 48.97 ? 334 PRO C CD 1 +ATOM 11104 C CD B PRO C 3 316 ? 25.782 -23.374 -70.227 0.60 48.93 ? 334 PRO C CD 1 +ATOM 11105 N N A THR C 3 317 ? 26.931 -21.350 -67.334 0.40 49.15 ? 335 THR C N 1 +ATOM 11106 N N B THR C 3 317 ? 26.991 -21.361 -67.329 0.60 49.14 ? 335 THR C N 1 +ATOM 11107 C CA A THR C 3 317 ? 27.585 -20.895 -66.115 0.40 46.19 ? 335 THR C CA 1 +ATOM 11108 C CA B THR C 3 317 ? 27.626 -20.917 -66.099 0.60 46.16 ? 335 THR C CA 1 +ATOM 11109 C C A THR C 3 317 ? 28.567 -19.757 -66.346 0.40 49.70 ? 335 THR C C 1 +ATOM 11110 C C B THR C 3 317 ? 28.605 -19.777 -66.315 0.60 49.82 ? 335 THR C C 1 +ATOM 11111 O O A THR C 3 317 ? 28.999 -19.127 -65.371 0.40 46.37 ? 335 THR C O 1 +ATOM 11112 O O B THR C 3 317 ? 29.043 -19.164 -65.332 0.60 46.36 ? 335 THR C O 1 +ATOM 11113 C CB A THR C 3 317 ? 28.332 -22.052 -65.459 0.40 51.02 ? 335 THR C CB 1 +ATOM 11114 C CB B THR C 3 317 ? 28.354 -22.093 -65.441 0.60 51.09 ? 335 THR C CB 1 +ATOM 11115 O OG1 A THR C 3 317 ? 29.332 -22.529 -66.370 0.40 49.46 ? 335 THR C OG1 1 +ATOM 11116 O OG1 B THR C 3 317 ? 29.346 -22.601 -66.345 0.60 49.53 ? 335 THR C OG1 1 +ATOM 11117 C CG2 A THR C 3 317 ? 27.362 -23.183 -65.103 0.40 47.90 ? 335 THR C CG2 1 +ATOM 11118 C CG2 B THR C 3 317 ? 27.366 -23.197 -65.121 0.60 47.96 ? 335 THR C CG2 1 +ATOM 11119 N N A GLY C 3 318 ? 28.928 -19.477 -67.601 0.40 46.07 ? 336 GLY C N 1 +ATOM 11120 N N B GLY C 3 318 ? 28.946 -19.471 -67.569 0.60 46.07 ? 336 GLY C N 1 +ATOM 11121 C CA A GLY C 3 318 ? 29.987 -18.553 -67.928 0.40 46.46 ? 336 GLY C CA 1 +ATOM 11122 C CA B GLY C 3 318 ? 30.018 -18.562 -67.895 0.60 46.45 ? 336 GLY C CA 1 +ATOM 11123 C C A GLY C 3 318 ? 31.271 -19.241 -68.335 0.40 48.23 ? 336 GLY C C 1 +ATOM 11124 C C B GLY C 3 318 ? 31.299 -19.262 -68.290 0.60 48.30 ? 336 GLY C C 1 +ATOM 11125 O O A GLY C 3 318 ? 32.086 -18.647 -69.046 0.40 51.12 ? 336 GLY C O 1 +ATOM 11126 O O B GLY C 3 318 ? 32.133 -18.666 -68.972 0.60 51.09 ? 336 GLY C O 1 +ATOM 11127 N N A LEU C 3 319 ? 31.475 -20.474 -67.879 0.40 48.41 ? 337 LEU C N 1 +ATOM 11128 N N B LEU C 3 319 ? 31.480 -20.505 -67.862 0.60 48.46 ? 337 LEU C N 1 +ATOM 11129 C CA A LEU C 3 319 ? 32.565 -21.286 -68.382 0.40 46.78 ? 337 LEU C CA 1 +ATOM 11130 C CA B LEU C 3 319 ? 32.561 -21.320 -68.373 0.60 46.78 ? 337 LEU C CA 1 +ATOM 11131 C C A LEU C 3 319 ? 32.240 -21.762 -69.792 0.40 49.27 ? 337 LEU C C 1 +ATOM 11132 C C B LEU C 3 319 ? 32.219 -21.787 -69.779 0.60 49.32 ? 337 LEU C C 1 +ATOM 11133 O O A LEU C 3 319 ? 31.072 -21.827 -70.202 0.40 45.35 ? 337 LEU C O 1 +ATOM 11134 O O B LEU C 3 319 ? 31.047 -21.867 -70.167 0.60 45.23 ? 337 LEU C O 1 +ATOM 11135 C CB A LEU C 3 319 ? 32.810 -22.485 -67.474 0.40 45.61 ? 337 LEU C CB 1 +ATOM 11136 C CB B LEU C 3 319 ? 32.809 -22.518 -67.467 0.60 45.59 ? 337 LEU C CB 1 +ATOM 11137 C CG A LEU C 3 319 ? 33.300 -22.243 -66.054 0.40 48.69 ? 337 LEU C CG 1 +ATOM 11138 C CG B LEU C 3 319 ? 33.357 -22.283 -66.066 0.60 48.84 ? 337 LEU C CG 1 +ATOM 11139 C CD1 A LEU C 3 319 ? 33.064 -23.509 -65.243 0.40 41.72 ? 337 LEU C CD1 1 +ATOM 11140 C CD1 B LEU C 3 319 ? 33.103 -23.537 -65.226 0.60 41.61 ? 337 LEU C CD1 1 +ATOM 11141 C CD2 A LEU C 3 319 ? 34.784 -21.910 -66.064 0.40 45.71 ? 337 LEU C CD2 1 +ATOM 11142 C CD2 B LEU C 3 319 ? 34.839 -21.972 -66.117 0.60 45.75 ? 337 LEU C CD2 1 +ATOM 11143 N N A GLY C 3 320 ? 33.293 -22.071 -70.546 0.40 47.59 ? 338 GLY C N 1 +ATOM 11144 N N B GLY C 3 320 ? 33.259 -22.069 -70.555 0.60 47.72 ? 338 GLY C N 1 +ATOM 11145 C CA A GLY C 3 320 ? 33.093 -22.542 -71.909 0.40 45.27 ? 338 GLY C CA 1 +ATOM 11146 C CA B GLY C 3 320 ? 33.052 -22.518 -71.921 0.60 45.21 ? 338 GLY C CA 1 +ATOM 11147 C C A GLY C 3 320 ? 32.184 -23.758 -71.938 0.40 45.41 ? 338 GLY C C 1 +ATOM 11148 C C B GLY C 3 320 ? 32.140 -23.722 -71.978 0.60 45.37 ? 338 GLY C C 1 +ATOM 11149 O O A GLY C 3 320 ? 32.288 -24.658 -71.101 0.40 45.16 ? 338 GLY C O 1 +ATOM 11150 O O B GLY C 3 320 ? 32.219 -24.611 -71.122 0.60 45.19 ? 338 GLY C O 1 +ATOM 11151 N N A LYS C 3 321 ? 31.262 -23.763 -72.898 0.40 48.13 ? 339 LYS C N 1 +ATOM 11152 N N B LYS C 3 321 ? 31.253 -23.742 -72.973 0.60 48.21 ? 339 LYS C N 1 +ATOM 11153 C CA A LYS C 3 321 ? 30.390 -24.919 -73.088 0.40 48.23 ? 339 LYS C CA 1 +ATOM 11154 C CA B LYS C 3 321 ? 30.366 -24.885 -73.163 0.60 48.28 ? 339 LYS C CA 1 +ATOM 11155 C C A LYS C 3 321 ? 31.183 -26.166 -73.493 0.40 49.23 ? 339 LYS C C 1 +ATOM 11156 C C B LYS C 3 321 ? 31.139 -26.142 -73.551 0.60 49.31 ? 339 LYS C C 1 +ATOM 11157 O O A LYS C 3 321 ? 30.886 -27.276 -73.041 0.40 46.14 ? 339 LYS C O 1 +ATOM 11158 O O B LYS C 3 321 ? 30.792 -27.248 -73.117 0.60 46.48 ? 339 LYS C O 1 +ATOM 11159 C CB A LYS C 3 321 ? 29.328 -24.582 -74.129 0.40 47.75 ? 339 LYS C CB 1 +ATOM 11160 C CB B LYS C 3 321 ? 29.314 -24.558 -74.221 0.60 47.68 ? 339 LYS C CB 1 +ATOM 11161 C CG A LYS C 3 321 ? 28.165 -25.567 -74.189 0.40 49.36 ? 339 LYS C CG 1 +ATOM 11162 C CG B LYS C 3 321 ? 28.152 -25.551 -74.246 0.60 49.48 ? 339 LYS C CG 1 +ATOM 11163 C CD A LYS C 3 321 ? 27.200 -25.184 -75.331 0.40 48.97 ? 339 LYS C CD 1 +ATOM 11164 C CD B LYS C 3 321 ? 27.139 -25.202 -75.330 0.60 49.03 ? 339 LYS C CD 1 +ATOM 11165 C CE A LYS C 3 321 ? 26.410 -23.931 -74.993 0.40 45.42 ? 339 LYS C CE 1 +ATOM 11166 C CE B LYS C 3 321 ? 26.484 -23.858 -75.072 0.60 45.34 ? 339 LYS C CE 1 +ATOM 11167 N NZ A LYS C 3 321 ? 25.521 -23.500 -76.107 0.40 48.37 ? 339 LYS C NZ 1 +ATOM 11168 N NZ B LYS C 3 321 ? 25.542 -23.516 -76.170 0.60 48.38 ? 339 LYS C NZ 1 +ATOM 11169 N N A TYR C 3 322 ? 32.199 -26.006 -74.328 0.40 47.25 ? 340 TYR C N 1 +ATOM 11170 N N B TYR C 3 322 ? 32.189 -25.999 -74.349 0.60 47.37 ? 340 TYR C N 1 +ATOM 11171 C CA A TYR C 3 322 ? 32.987 -27.132 -74.818 0.40 42.17 ? 340 TYR C CA 1 +ATOM 11172 C CA B TYR C 3 322 ? 32.974 -27.127 -74.839 0.60 42.03 ? 340 TYR C CA 1 +ATOM 11173 C C A TYR C 3 322 ? 34.398 -27.145 -74.266 0.40 49.17 ? 340 TYR C C 1 +ATOM 11174 C C B TYR C 3 322 ? 34.386 -27.153 -74.284 0.60 49.28 ? 340 TYR C C 1 +ATOM 11175 O O A TYR C 3 322 ? 34.939 -28.211 -73.984 0.40 48.89 ? 340 TYR C O 1 +ATOM 11176 O O B TYR C 3 322 ? 34.922 -28.227 -74.013 0.60 48.99 ? 340 TYR C O 1 +ATOM 11177 C CB A TYR C 3 322 ? 33.068 -27.106 -76.361 0.40 44.90 ? 340 TYR C CB 1 +ATOM 11178 C CB B TYR C 3 322 ? 33.055 -27.095 -76.374 0.60 44.87 ? 340 TYR C CB 1 +ATOM 11179 C CG A TYR C 3 322 ? 31.723 -26.980 -77.063 0.40 44.65 ? 340 TYR C CG 1 +ATOM 11180 C CG B TYR C 3 322 ? 31.712 -26.964 -77.054 0.60 44.61 ? 340 TYR C CG 1 +ATOM 11181 C CD1 A TYR C 3 322 ? 31.221 -25.738 -77.413 0.40 47.10 ? 340 TYR C CD1 1 +ATOM 11182 C CD1 B TYR C 3 322 ? 31.226 -25.720 -77.433 0.60 47.14 ? 340 TYR C CD1 1 +ATOM 11183 C CD2 A TYR C 3 322 ? 30.942 -28.105 -77.333 0.40 42.03 ? 340 TYR C CD2 1 +ATOM 11184 C CD2 B TYR C 3 322 ? 30.920 -28.081 -77.296 0.60 41.90 ? 340 TYR C CD2 1 +ATOM 11185 C CE1 A TYR C 3 322 ? 29.990 -25.599 -78.028 0.40 48.13 ? 340 TYR C CE1 1 +ATOM 11186 C CE1 B TYR C 3 322 ? 29.996 -25.586 -78.038 0.60 48.20 ? 340 TYR C CE1 1 +ATOM 11187 C CE2 A TYR C 3 322 ? 29.699 -27.978 -77.956 0.40 48.51 ? 340 TYR C CE2 1 +ATOM 11188 C CE2 B TYR C 3 322 ? 29.680 -27.956 -77.907 0.60 48.55 ? 340 TYR C CE2 1 +ATOM 11189 C CZ A TYR C 3 322 ? 29.231 -26.722 -78.305 0.40 47.81 ? 340 TYR C CZ 1 +ATOM 11190 C CZ B TYR C 3 322 ? 29.227 -26.702 -78.282 0.60 47.87 ? 340 TYR C CZ 1 +ATOM 11191 O OH A TYR C 3 322 ? 28.008 -26.566 -78.928 0.40 46.88 ? 340 TYR C OH 1 +ATOM 11192 O OH B TYR C 3 322 ? 28.002 -26.555 -78.895 0.60 46.91 ? 340 TYR C OH 1 +ATOM 11193 N N A LEU C 3 323 ? 35.013 -25.980 -74.120 0.40 47.81 ? 341 LEU C N 1 +ATOM 11194 N N B LEU C 3 323 ? 34.997 -25.991 -74.110 0.60 47.84 ? 341 LEU C N 1 +ATOM 11195 C CA A LEU C 3 323 ? 36.413 -25.881 -73.749 0.40 53.45 ? 341 LEU C CA 1 +ATOM 11196 C CA B LEU C 3 323 ? 36.396 -25.884 -73.739 0.60 53.58 ? 341 LEU C CA 1 +ATOM 11197 C C A LEU C 3 323 ? 36.568 -24.849 -72.644 0.40 50.94 ? 341 LEU C C 1 +ATOM 11198 C C B LEU C 3 323 ? 36.543 -24.873 -72.615 0.60 51.08 ? 341 LEU C C 1 +ATOM 11199 O O A LEU C 3 323 ? 35.844 -23.841 -72.595 0.40 45.41 ? 341 LEU C O 1 +ATOM 11200 O O B LEU C 3 323 ? 35.800 -23.887 -72.539 0.60 45.32 ? 341 LEU C O 1 +ATOM 11201 C CB A LEU C 3 323 ? 37.290 -25.480 -74.956 0.40 52.03 ? 341 LEU C CB 1 +ATOM 11202 C CB B LEU C 3 323 ? 37.263 -25.454 -74.939 0.60 52.10 ? 341 LEU C CB 1 +ATOM 11203 C CG A LEU C 3 323 ? 37.363 -26.463 -76.126 0.40 56.87 ? 341 LEU C CG 1 +ATOM 11204 C CG B LEU C 3 323 ? 37.313 -26.410 -76.129 0.60 57.00 ? 341 LEU C CG 1 +ATOM 11205 C CD1 A LEU C 3 323 ? 38.004 -25.721 -77.286 0.40 56.56 ? 341 LEU C CD1 1 +ATOM 11206 C CD1 B LEU C 3 323 ? 37.978 -25.704 -77.304 0.60 56.59 ? 341 LEU C CD1 1 +ATOM 11207 C CD2 A LEU C 3 323 ? 38.164 -27.731 -75.767 0.40 50.36 ? 341 LEU C CD2 1 +ATOM 11208 C CD2 B LEU C 3 323 ? 38.059 -27.691 -75.758 0.60 50.38 ? 341 LEU C CD2 1 +ATOM 11209 N N A MET C 3 324 ? 37.529 -25.103 -71.768 0.40 42.88 ? 342 MET C N 1 +ATOM 11210 N N B MET C 3 324 ? 37.515 -25.125 -71.748 0.60 42.77 ? 342 MET C N 1 +ATOM 11211 C CA A MET C 3 324 ? 37.802 -24.204 -70.655 0.40 45.50 ? 342 MET C CA 1 +ATOM 11212 C CA B MET C 3 324 ? 37.803 -24.240 -70.622 0.60 45.55 ? 342 MET C CA 1 +ATOM 11213 C C A MET C 3 324 ? 39.250 -24.434 -70.239 0.40 50.26 ? 342 MET C C 1 +ATOM 11214 C C B MET C 3 324 ? 39.252 -24.471 -70.210 0.60 50.39 ? 342 MET C C 1 +ATOM 11215 O O A MET C 3 324 ? 39.989 -25.187 -70.887 0.40 47.79 ? 342 MET C O 1 +ATOM 11216 O O B MET C 3 324 ? 39.987 -25.228 -70.853 0.60 47.75 ? 342 MET C O 1 +ATOM 11217 C CB A MET C 3 324 ? 36.819 -24.445 -69.495 0.40 45.02 ? 342 MET C CB 1 +ATOM 11218 C CB B MET C 3 324 ? 36.826 -24.483 -69.458 0.60 44.94 ? 342 MET C CB 1 +ATOM 11219 C CG A MET C 3 324 ? 36.849 -25.874 -68.943 0.40 47.91 ? 342 MET C CG 1 +ATOM 11220 C CG B MET C 3 324 ? 36.867 -25.904 -68.902 0.60 47.99 ? 342 MET C CG 1 +ATOM 11221 S SD A MET C 3 324 ? 35.666 -26.258 -67.621 0.40 48.96 ? 342 MET C SD 1 +ATOM 11222 S SD B MET C 3 324 ? 35.648 -26.261 -67.608 0.60 48.88 ? 342 MET C SD 1 +ATOM 11223 C CE A MET C 3 324 ? 36.497 -25.541 -66.205 0.40 44.59 ? 342 MET C CE 1 +ATOM 11224 C CE B MET C 3 324 ? 36.493 -25.541 -66.200 0.60 44.63 ? 342 MET C CE 1 +ATOM 11225 N N A ARG C 3 325 ? 39.647 -23.801 -69.143 0.40 49.29 ? 343 ARG C N 1 +ATOM 11226 N N B ARG C 3 325 ? 39.656 -23.832 -69.121 0.60 49.36 ? 343 ARG C N 1 +ATOM 11227 C CA A ARG C 3 325 ? 40.988 -23.933 -68.603 0.40 50.37 ? 343 ARG C CA 1 +ATOM 11228 C CA B ARG C 3 325 ? 41.002 -23.970 -68.589 0.60 50.41 ? 343 ARG C CA 1 +ATOM 11229 C C A ARG C 3 325 ? 40.965 -24.776 -67.335 0.40 49.00 ? 343 ARG C C 1 +ATOM 11230 C C B ARG C 3 325 ? 40.980 -24.798 -67.314 0.60 49.02 ? 343 ARG C C 1 +ATOM 11231 O O A ARG C 3 325 ? 40.052 -24.660 -66.514 0.40 48.86 ? 343 ARG C O 1 +ATOM 11232 O O B ARG C 3 325 ? 40.036 -24.717 -66.523 0.60 48.95 ? 343 ARG C O 1 +ATOM 11233 C CB A ARG C 3 325 ? 41.591 -22.555 -68.313 0.40 46.94 ? 343 ARG C CB 1 +ATOM 11234 C CB B ARG C 3 325 ? 41.620 -22.599 -68.308 0.60 46.94 ? 343 ARG C CB 1 +ATOM 11235 C CG A ARG C 3 325 ? 41.877 -21.736 -69.583 0.40 51.07 ? 343 ARG C CG 1 +ATOM 11236 C CG B ARG C 3 325 ? 41.882 -21.771 -69.553 0.60 51.16 ? 343 ARG C CG 1 +ATOM 11237 C CD A ARG C 3 325 ? 42.730 -20.524 -69.267 0.40 48.05 ? 343 ARG C CD 1 +ATOM 11238 C CD B ARG C 3 325 ? 42.801 -20.602 -69.237 0.60 47.93 ? 343 ARG C CD 1 +ATOM 11239 N NE A ARG C 3 325 ? 43.030 -19.734 -70.453 0.40 48.32 ? 343 ARG C NE 1 +ATOM 11240 N NE B ARG C 3 325 ? 43.110 -19.822 -70.430 0.60 48.61 ? 343 ARG C NE 1 +ATOM 11241 C CZ A ARG C 3 325 ? 44.112 -19.883 -71.207 0.40 51.64 ? 343 ARG C CZ 1 +ATOM 11242 C CZ B ARG C 3 325 ? 44.166 -20.023 -71.207 0.60 51.77 ? 343 ARG C CZ 1 +ATOM 11243 N NH1 A ARG C 3 325 ? 44.994 -20.842 -70.975 0.40 43.74 ? 343 ARG C NH1 1 +ATOM 11244 N NH1 B ARG C 3 325 ? 45.037 -20.991 -70.959 0.60 43.27 ? 343 ARG C NH1 1 +ATOM 11245 N NH2 A ARG C 3 325 ? 44.315 -19.042 -72.219 0.40 51.50 ? 343 ARG C NH2 1 +ATOM 11246 N NH2 B ARG C 3 325 ? 44.359 -19.228 -72.256 0.60 51.60 ? 343 ARG C NH2 1 +ATOM 11247 N N A SER C 3 326 ? 41.966 -25.634 -67.189 0.40 46.60 ? 344 SER C N 1 +ATOM 11248 N N B SER C 3 326 ? 42.017 -25.608 -67.133 0.60 46.51 ? 344 SER C N 1 +ATOM 11249 C CA A SER C 3 326 ? 42.217 -26.309 -65.934 0.40 49.31 ? 344 SER C CA 1 +ATOM 11250 C CA B SER C 3 326 ? 42.244 -26.296 -65.884 0.60 49.34 ? 344 SER C CA 1 +ATOM 11251 C C A SER C 3 326 ? 42.727 -25.280 -64.923 0.40 50.06 ? 344 SER C C 1 +ATOM 11252 C C B SER C 3 326 ? 42.758 -25.284 -64.859 0.60 50.14 ? 344 SER C C 1 +ATOM 11253 O O A SER C 3 326 ? 43.107 -24.168 -65.300 0.40 50.89 ? 344 SER C O 1 +ATOM 11254 O O B SER C 3 326 ? 43.136 -24.167 -65.218 0.60 50.97 ? 344 SER C O 1 +ATOM 11255 C CB A SER C 3 326 ? 43.238 -27.433 -66.140 0.40 54.07 ? 344 SER C CB 1 +ATOM 11256 C CB B SER C 3 326 ? 43.246 -27.434 -66.093 0.60 54.27 ? 344 SER C CB 1 +ATOM 11257 O OG A SER C 3 326 ? 44.555 -26.923 -65.996 0.40 55.33 ? 344 SER C OG 1 +ATOM 11258 O OG B SER C 3 326 ? 44.575 -26.951 -65.969 0.60 55.55 ? 344 SER C OG 1 +ATOM 11259 N N A PRO C 3 327 ? 42.771 -25.624 -63.628 0.40 49.50 ? 345 PRO C N 1 +ATOM 11260 N N B PRO C 3 327 ? 42.795 -25.645 -63.570 0.60 49.48 ? 345 PRO C N 1 +ATOM 11261 C CA A PRO C 3 327 ? 43.261 -24.647 -62.639 0.40 48.35 ? 345 PRO C CA 1 +ATOM 11262 C CA B PRO C 3 327 ? 43.301 -24.690 -62.567 0.60 48.29 ? 345 PRO C CA 1 +ATOM 11263 C C A PRO C 3 327 ? 44.690 -24.170 -62.877 0.40 55.47 ? 345 PRO C C 1 +ATOM 11264 C C B PRO C 3 327 ? 44.712 -24.187 -62.852 0.60 55.66 ? 345 PRO C C 1 +ATOM 11265 O O A PRO C 3 327 ? 45.067 -23.123 -62.319 0.40 48.98 ? 345 PRO C O 1 +ATOM 11266 O O B PRO C 3 327 ? 45.092 -23.133 -62.316 0.60 49.01 ? 345 PRO C O 1 +ATOM 11267 C CB A PRO C 3 327 ? 43.136 -25.398 -61.301 0.40 50.59 ? 345 PRO C CB 1 +ATOM 11268 C CB B PRO C 3 327 ? 43.236 -25.491 -61.259 0.60 50.62 ? 345 PRO C CB 1 +ATOM 11269 C CG A PRO C 3 327 ? 42.088 -26.462 -61.548 0.40 47.64 ? 345 PRO C CG 1 +ATOM 11270 C CG B PRO C 3 327 ? 42.113 -26.498 -61.500 0.60 47.62 ? 345 PRO C CG 1 +ATOM 11271 C CD A PRO C 3 327 ? 42.320 -26.878 -62.986 0.40 43.36 ? 345 PRO C CD 1 +ATOM 11272 C CD B PRO C 3 327 ? 42.299 -26.889 -62.943 0.60 43.24 ? 345 PRO C CD 1 +ATOM 11273 N N . THR C 3 328 ? 45.492 -24.881 -63.690 1.00 47.65 ? 346 THR C N 1 +ATOM 11274 C CA . THR C 3 328 ? 46.829 -24.416 -64.066 1.00 53.01 ? 346 THR C CA 1 +ATOM 11275 C C . THR C 3 328 ? 46.922 -23.928 -65.512 1.00 52.29 ? 346 THR C C 1 +ATOM 11276 O O . THR C 3 328 ? 48.029 -23.713 -66.010 1.00 53.37 ? 346 THR C O 1 +ATOM 11277 C CB . THR C 3 328 ? 47.904 -25.483 -63.810 1.00 58.12 ? 346 THR C CB 1 +ATOM 11278 O OG1 . THR C 3 328 ? 47.469 -26.769 -64.260 1.00 57.22 ? 346 THR C OG1 1 +ATOM 11279 C CG2 . THR C 3 328 ? 48.259 -25.544 -62.312 1.00 48.54 ? 346 THR C CG2 1 +ATOM 11280 N N . GLY C 3 329 ? 45.797 -23.720 -66.189 1.00 49.22 ? 347 GLY C N 1 +ATOM 11281 C CA . GLY C 3 329 ? 45.771 -23.027 -67.453 1.00 45.55 ? 347 GLY C CA 1 +ATOM 11282 C C . GLY C 3 329 ? 45.541 -23.892 -68.682 1.00 54.40 ? 347 GLY C C 1 +ATOM 11283 O O . GLY C 3 329 ? 45.117 -23.357 -69.715 1.00 48.50 ? 347 GLY C O 1 +ATOM 11284 N N . GLU C 3 330 ? 45.795 -25.206 -68.602 1.00 47.49 ? 348 GLU C N 1 +ATOM 11285 C CA . GLU C 3 330 ? 45.688 -26.061 -69.782 1.00 54.50 ? 348 GLU C CA 1 +ATOM 11286 C C . GLU C 3 330 ? 44.271 -26.023 -70.355 1.00 54.19 ? 348 GLU C C 1 +ATOM 11287 O O . GLU C 3 330 ? 43.283 -25.948 -69.619 1.00 51.95 ? 348 GLU C O 1 +ATOM 11288 C CB . GLU C 3 330 ? 46.083 -27.500 -69.431 1.00 49.00 ? 348 GLU C CB 1 +ATOM 11289 C CG . GLU C 3 330 ? 47.545 -27.688 -69.037 1.00 45.54 ? 348 GLU C CG 1 +ATOM 11290 C CD . GLU C 3 330 ? 47.845 -27.321 -67.601 1.00 53.79 ? 348 GLU C CD 1 +ATOM 11291 O OE1 . GLU C 3 330 ? 46.907 -27.033 -66.832 1.00 55.53 ? 348 GLU C OE1 1 +ATOM 11292 O OE2 . GLU C 3 330 ? 49.033 -27.355 -67.217 1.00 63.12 ? 348 GLU C OE2 1 +ATOM 11293 N N . ILE C 3 331 ? 44.173 -26.057 -71.679 1.00 53.49 ? 349 ILE C N 1 +ATOM 11294 C CA . ILE C 3 331 ? 42.878 -26.070 -72.353 1.00 54.58 ? 349 ILE C CA 1 +ATOM 11295 C C . ILE C 3 331 ? 42.318 -27.487 -72.266 1.00 56.17 ? 349 ILE C C 1 +ATOM 11296 O O . ILE C 3 331 ? 42.981 -28.453 -72.661 1.00 53.33 ? 349 ILE C O 1 +ATOM 11297 C CB . ILE C 3 331 ? 43.012 -25.599 -73.808 1.00 52.96 ? 349 ILE C CB 1 +ATOM 11298 C CG1 . ILE C 3 331 ? 43.752 -24.257 -73.856 1.00 53.64 ? 349 ILE C CG1 1 +ATOM 11299 C CG2 . ILE C 3 331 ? 41.639 -25.480 -74.473 1.00 51.14 ? 349 ILE C CG2 1 +ATOM 11300 C CD1 . ILE C 3 331 ? 43.066 -23.138 -73.094 1.00 46.48 ? 349 ILE C CD1 1 +ATOM 11301 N N A ILE C 3 332 ? 41.104 -27.614 -71.727 0.40 51.31 ? 350 ILE C N 1 +ATOM 11302 N N B ILE C 3 332 ? 41.105 -27.619 -71.722 0.60 51.42 ? 350 ILE C N 1 +ATOM 11303 C CA A ILE C 3 332 ? 40.503 -28.910 -71.426 0.40 47.55 ? 350 ILE C CA 1 +ATOM 11304 C CA B ILE C 3 332 ? 40.506 -28.912 -71.401 0.60 47.55 ? 350 ILE C CA 1 +ATOM 11305 C C A ILE C 3 332 ? 39.033 -28.889 -71.833 0.40 42.20 ? 350 ILE C C 1 +ATOM 11306 C C B ILE C 3 332 ? 39.040 -28.894 -71.818 0.60 42.03 ? 350 ILE C C 1 +ATOM 11307 O O A ILE C 3 332 ? 38.434 -27.834 -72.026 0.40 49.61 ? 350 ILE C O 1 +ATOM 11308 O O B ILE C 3 332 ? 38.453 -27.845 -72.071 0.60 49.81 ? 350 ILE C O 1 +ATOM 11309 C CB A ILE C 3 332 ? 40.626 -29.271 -69.924 0.40 49.59 ? 350 ILE C CB 1 +ATOM 11310 C CB B ILE C 3 332 ? 40.623 -29.253 -69.893 0.60 49.70 ? 350 ILE C CB 1 +ATOM 11311 C CG1 A ILE C 3 332 ? 39.824 -28.276 -69.072 0.40 44.32 ? 350 ILE C CG1 1 +ATOM 11312 C CG1 B ILE C 3 332 ? 39.775 -28.291 -69.056 0.60 44.22 ? 350 ILE C CG1 1 +ATOM 11313 C CG2 A ILE C 3 332 ? 42.092 -29.273 -69.481 0.40 48.08 ? 350 ILE C CG2 1 +ATOM 11314 C CG2 B ILE C 3 332 ? 42.067 -29.159 -69.419 0.60 47.94 ? 350 ILE C CG2 1 +ATOM 11315 C CD1 A ILE C 3 332 ? 39.762 -28.612 -67.593 0.40 45.95 ? 350 ILE C CD1 1 +ATOM 11316 C CD1 B ILE C 3 332 ? 39.728 -28.633 -67.577 0.60 45.94 ? 350 ILE C CD1 1 +ATOM 11317 N N A PHE C 3 333 ? 38.444 -30.075 -71.915 0.40 48.69 ? 351 PHE C N 1 +ATOM 11318 N N B PHE C 3 333 ? 38.439 -30.077 -71.850 0.60 48.81 ? 351 PHE C N 1 +ATOM 11319 C CA A PHE C 3 333 ? 37.013 -30.184 -72.160 0.40 45.42 ? 351 PHE C CA 1 +ATOM 11320 C CA B PHE C 3 333 ? 37.012 -30.184 -72.111 0.60 45.42 ? 351 PHE C CA 1 +ATOM 11321 C C A PHE C 3 333 ? 36.207 -29.606 -71.001 0.40 47.95 ? 351 PHE C C 1 +ATOM 11322 C C B PHE C 3 333 ? 36.194 -29.603 -70.961 0.60 48.07 ? 351 PHE C C 1 +ATOM 11323 O O A PHE C 3 333 ? 36.554 -29.777 -69.822 0.40 45.74 ? 351 PHE C O 1 +ATOM 11324 O O B PHE C 3 333 ? 36.562 -29.707 -69.784 0.60 45.76 ? 351 PHE C O 1 +ATOM 11325 C CB A PHE C 3 333 ? 36.638 -31.650 -72.374 0.40 42.75 ? 351 PHE C CB 1 +ATOM 11326 C CB B PHE C 3 333 ? 36.626 -31.644 -72.331 0.60 42.61 ? 351 PHE C CB 1 +ATOM 11327 C CG A PHE C 3 333 ? 37.029 -32.179 -73.721 0.40 49.81 ? 351 PHE C CG 1 +ATOM 11328 C CG B PHE C 3 333 ? 37.020 -32.173 -73.674 0.60 49.83 ? 351 PHE C CG 1 +ATOM 11329 C CD1 A PHE C 3 333 ? 36.784 -31.433 -74.869 0.40 51.39 ? 351 PHE C CD1 1 +ATOM 11330 C CD1 B PHE C 3 333 ? 36.738 -31.452 -74.825 0.60 51.40 ? 351 PHE C CD1 1 +ATOM 11331 C CD2 A PHE C 3 333 ? 37.635 -33.411 -73.849 0.40 49.40 ? 351 PHE C CD2 1 +ATOM 11332 C CD2 B PHE C 3 333 ? 37.677 -33.390 -73.791 0.60 49.41 ? 351 PHE C CD2 1 +ATOM 11333 C CE1 A PHE C 3 333 ? 37.140 -31.915 -76.119 0.40 55.16 ? 351 PHE C CE1 1 +ATOM 11334 C CE1 B PHE C 3 333 ? 37.095 -31.942 -76.075 0.60 55.20 ? 351 PHE C CE1 1 +ATOM 11335 C CE2 A PHE C 3 333 ? 37.992 -33.902 -75.105 0.40 55.35 ? 351 PHE C CE2 1 +ATOM 11336 C CE2 B PHE C 3 333 ? 38.040 -33.879 -75.038 0.60 55.40 ? 351 PHE C CE2 1 +ATOM 11337 C CZ A PHE C 3 333 ? 37.741 -33.149 -76.238 0.40 52.17 ? 351 PHE C CZ 1 +ATOM 11338 C CZ B PHE C 3 333 ? 37.749 -33.151 -76.182 0.60 52.17 ? 351 PHE C CZ 1 +ATOM 11339 N N A GLY C 3 334 ? 35.095 -28.960 -71.341 0.40 44.29 ? 352 GLY C N 1 +ATOM 11340 N N B GLY C 3 334 ? 35.049 -29.017 -71.317 0.60 44.31 ? 352 GLY C N 1 +ATOM 11341 C CA A GLY C 3 334 ? 34.219 -28.360 -70.354 0.40 45.31 ? 352 GLY C CA 1 +ATOM 11342 C CA B GLY C 3 334 ? 34.163 -28.397 -70.357 0.60 45.32 ? 352 GLY C CA 1 +ATOM 11343 C C A GLY C 3 334 ? 33.086 -29.274 -69.919 0.40 45.05 ? 352 GLY C C 1 +ATOM 11344 C C B GLY C 3 334 ? 33.032 -29.308 -69.911 0.60 45.10 ? 352 GLY C C 1 +ATOM 11345 O O A GLY C 3 334 ? 33.030 -30.462 -70.248 0.40 46.02 ? 352 GLY C O 1 +ATOM 11346 O O B GLY C 3 334 ? 32.980 -30.499 -70.224 0.60 45.97 ? 352 GLY C O 1 +ATOM 11347 N N A GLY C 3 335 ? 32.152 -28.689 -69.171 0.40 47.38 ? 353 GLY C N 1 +ATOM 11348 N N B GLY C 3 335 ? 32.103 -28.720 -69.161 0.60 47.49 ? 353 GLY C N 1 +ATOM 11349 C CA A GLY C 3 335 ? 31.141 -29.487 -68.499 0.40 44.37 ? 353 GLY C CA 1 +ATOM 11350 C CA B GLY C 3 335 ? 31.091 -29.513 -68.497 0.60 44.28 ? 353 GLY C CA 1 +ATOM 11351 C C A GLY C 3 335 ? 31.729 -30.258 -67.325 0.40 49.75 ? 353 GLY C C 1 +ATOM 11352 C C B GLY C 3 335 ? 31.683 -30.278 -67.316 0.60 49.86 ? 353 GLY C C 1 +ATOM 11353 O O A GLY C 3 335 ? 32.875 -30.043 -66.887 0.40 49.72 ? 353 GLY C O 1 +ATOM 11354 O O B GLY C 3 335 ? 32.813 -30.039 -66.868 0.60 49.94 ? 353 GLY C O 1 +ATOM 11355 N N A GLU C 3 336 ? 30.921 -31.198 -66.819 0.40 48.33 ? 354 GLU C N 1 +ATOM 11356 N N B GLU C 3 336 ? 30.900 -31.236 -66.823 0.60 48.36 ? 354 GLU C N 1 +ATOM 11357 C CA A GLU C 3 336 ? 31.308 -31.905 -65.608 0.40 46.71 ? 354 GLU C CA 1 +ATOM 11358 C CA B GLU C 3 336 ? 31.292 -31.906 -65.590 0.60 46.76 ? 354 GLU C CA 1 +ATOM 11359 C C A GLU C 3 336 ? 32.604 -32.683 -65.791 0.40 46.94 ? 354 GLU C C 1 +ATOM 11360 C C B GLU C 3 336 ? 32.574 -32.710 -65.756 0.60 46.99 ? 354 GLU C C 1 +ATOM 11361 O O A GLU C 3 336 ? 33.291 -32.968 -64.798 0.40 47.16 ? 354 GLU C O 1 +ATOM 11362 O O B GLU C 3 336 ? 33.268 -32.963 -64.761 0.60 47.18 ? 354 GLU C O 1 +ATOM 11363 C CB A GLU C 3 336 ? 30.176 -32.825 -65.140 0.40 41.32 ? 354 GLU C CB 1 +ATOM 11364 C CB B GLU C 3 336 ? 30.160 -32.792 -65.076 0.60 41.06 ? 354 GLU C CB 1 +ATOM 11365 C CG A GLU C 3 336 ? 30.010 -32.727 -63.693 0.40 50.46 ? 354 GLU C CG 1 +ATOM 11366 C CG B GLU C 3 336 ? 30.187 -32.907 -63.599 0.60 52.44 ? 354 GLU C CG 1 +ATOM 11367 C CD A GLU C 3 336 ? 28.905 -33.585 -63.119 0.40 52.41 ? 354 GLU C CD 1 +ATOM 11368 C CD B GLU C 3 336 ? 29.005 -33.639 -63.018 0.60 52.81 ? 354 GLU C CD 1 +ATOM 11369 O OE1 A GLU C 3 336 ? 28.578 -34.629 -63.717 0.40 51.78 ? 354 GLU C OE1 1 +ATOM 11370 O OE1 B GLU C 3 336 ? 28.510 -34.576 -63.664 0.60 51.93 ? 354 GLU C OE1 1 +ATOM 11371 O OE2 A GLU C 3 336 ? 28.400 -33.210 -62.023 0.40 49.49 ? 354 GLU C OE2 1 +ATOM 11372 O OE2 B GLU C 3 336 ? 28.573 -33.269 -61.903 0.60 49.13 ? 354 GLU C OE2 1 +ATOM 11373 N N A THR C 3 337 ? 32.981 -32.981 -67.034 0.40 42.95 ? 355 THR C N 1 +ATOM 11374 N N B THR C 3 337 ? 32.932 -33.071 -66.992 0.60 42.92 ? 355 THR C N 1 +ATOM 11375 C CA A THR C 3 337 ? 34.221 -33.702 -67.294 0.40 47.17 ? 355 THR C CA 1 +ATOM 11376 C CA B THR C 3 337 ? 34.176 -33.796 -67.242 0.60 47.08 ? 355 THR C CA 1 +ATOM 11377 C C A THR C 3 337 ? 35.465 -32.858 -67.014 0.40 46.29 ? 355 THR C C 1 +ATOM 11378 C C B THR C 3 337 ? 35.420 -32.951 -66.970 0.60 46.46 ? 355 THR C C 1 +ATOM 11379 O O A THR C 3 337 ? 36.577 -33.384 -67.136 0.40 46.12 ? 355 THR C O 1 +ATOM 11380 O O B THR C 3 337 ? 36.533 -33.477 -67.096 0.60 46.21 ? 355 THR C O 1 +ATOM 11381 C CB A THR C 3 337 ? 34.242 -34.227 -68.742 0.40 46.80 ? 355 THR C CB 1 +ATOM 11382 C CB B THR C 3 337 ? 34.213 -34.320 -68.687 0.60 47.01 ? 355 THR C CB 1 +ATOM 11383 O OG1 A THR C 3 337 ? 35.072 -35.394 -68.813 0.40 49.30 ? 355 THR C OG1 1 +ATOM 11384 O OG1 B THR C 3 337 ? 35.113 -35.439 -68.771 0.60 49.38 ? 355 THR C OG1 1 +ATOM 11385 C CG2 A THR C 3 337 ? 34.765 -33.180 -69.720 0.40 41.53 ? 355 THR C CG2 1 +ATOM 11386 C CG2 B THR C 3 337 ? 34.674 -33.244 -69.640 0.60 41.26 ? 355 THR C CG2 1 +ATOM 11387 N N A MET C 3 338 ? 35.305 -31.590 -66.611 0.40 43.21 ? 356 MET C N 1 +ATOM 11388 N N B MET C 3 338 ? 35.263 -31.674 -66.589 0.60 43.30 ? 356 MET C N 1 +ATOM 11389 C CA A MET C 3 338 ? 36.441 -30.810 -66.129 0.40 45.60 ? 356 MET C CA 1 +ATOM 11390 C CA B MET C 3 338 ? 36.408 -30.882 -66.140 0.60 45.69 ? 356 MET C CA 1 +ATOM 11391 C C A MET C 3 338 ? 37.260 -31.577 -65.097 0.40 46.28 ? 356 MET C C 1 +ATOM 11392 C C B MET C 3 338 ? 37.238 -31.623 -65.094 0.60 46.31 ? 356 MET C C 1 +ATOM 11393 O O A MET C 3 338 ? 38.481 -31.397 -65.021 0.40 48.23 ? 356 MET C O 1 +ATOM 11394 O O B MET C 3 338 ? 38.453 -31.410 -65.001 0.60 48.31 ? 356 MET C O 1 +ATOM 11395 C CB A MET C 3 338 ? 35.959 -29.474 -65.542 0.40 44.23 ? 356 MET C CB 1 +ATOM 11396 C CB B MET C 3 338 ? 35.936 -29.535 -65.589 0.60 44.19 ? 356 MET C CB 1 +ATOM 11397 C CG A MET C 3 338 ? 35.162 -29.613 -64.248 0.40 45.14 ? 356 MET C CG 1 +ATOM 11398 C CG B MET C 3 338 ? 35.088 -29.648 -64.333 0.60 45.27 ? 356 MET C CG 1 +ATOM 11399 S SD A MET C 3 338 ? 34.700 -28.024 -63.510 0.40 47.48 ? 356 MET C SD 1 +ATOM 11400 S SD B MET C 3 338 ? 34.765 -28.056 -63.553 0.60 47.36 ? 356 MET C SD 1 +ATOM 11401 C CE A MET C 3 338 ? 33.514 -27.360 -64.682 0.40 41.60 ? 356 MET C CE 1 +ATOM 11402 C CE B MET C 3 338 ? 33.553 -27.329 -64.658 0.60 41.52 ? 356 MET C CE 1 +ATOM 11403 N N A ARG C 3 339 ? 36.620 -32.474 -64.330 0.40 44.42 ? 357 ARG C N 1 +ATOM 11404 N N B ARG C 3 339 ? 36.611 -32.522 -64.323 0.60 44.36 ? 357 ARG C N 1 +ATOM 11405 C CA A ARG C 3 339 ? 37.331 -33.248 -63.320 0.40 46.18 ? 357 ARG C CA 1 +ATOM 11406 C CA B ARG C 3 339 ? 37.329 -33.273 -63.299 0.60 46.24 ? 357 ARG C CA 1 +ATOM 11407 C C A ARG C 3 339 ? 38.272 -34.272 -63.934 0.40 50.72 ? 357 ARG C C 1 +ATOM 11408 C C B ARG C 3 339 ? 38.276 -34.306 -63.894 0.60 50.94 ? 357 ARG C C 1 +ATOM 11409 O O A ARG C 3 339 ? 39.182 -34.746 -63.250 0.40 44.74 ? 357 ARG C O 1 +ATOM 11410 O O B ARG C 3 339 ? 39.150 -34.806 -63.176 0.60 44.56 ? 357 ARG C O 1 +ATOM 11411 C CB A ARG C 3 339 ? 36.342 -33.976 -62.387 0.40 45.15 ? 357 ARG C CB 1 +ATOM 11412 C CB B ARG C 3 339 ? 36.341 -33.983 -62.358 0.60 45.09 ? 357 ARG C CB 1 +ATOM 11413 C CG A ARG C 3 339 ? 35.518 -35.082 -63.085 0.40 44.97 ? 357 ARG C CG 1 +ATOM 11414 C CG B ARG C 3 339 ? 35.572 -35.129 -63.029 0.60 45.04 ? 357 ARG C CG 1 +ATOM 11415 C CD A ARG C 3 339 ? 34.615 -35.878 -62.096 0.40 45.80 ? 357 ARG C CD 1 +ATOM 11416 C CD B ARG C 3 339 ? 34.686 -35.905 -62.054 0.60 45.77 ? 357 ARG C CD 1 +ATOM 11417 N NE A ARG C 3 339 ? 33.536 -35.052 -61.557 0.40 45.00 ? 357 ARG C NE 1 +ATOM 11418 N NE B ARG C 3 339 ? 33.583 -35.095 -61.546 0.60 45.04 ? 357 ARG C NE 1 +ATOM 11419 C CZ A ARG C 3 339 ? 32.465 -35.528 -60.933 0.40 52.61 ? 357 ARG C CZ 1 +ATOM 11420 C CZ B ARG C 3 339 ? 32.499 -35.586 -60.956 0.60 52.91 ? 357 ARG C CZ 1 +ATOM 11421 N NH1 A ARG C 3 339 ? 32.251 -36.834 -60.820 0.40 42.62 ? 357 ARG C NH1 1 +ATOM 11422 N NH1 B ARG C 3 339 ? 32.314 -36.891 -60.821 0.60 42.57 ? 357 ARG C NH1 1 +ATOM 11423 N NH2 A ARG C 3 339 ? 31.586 -34.674 -60.408 0.40 43.96 ? 357 ARG C NH2 1 +ATOM 11424 N NH2 B ARG C 3 339 ? 31.573 -34.746 -60.493 0.60 44.06 ? 357 ARG C NH2 1 +ATOM 11425 N N A PHE C 3 340 ? 38.062 -34.649 -65.192 0.40 41.53 ? 358 PHE C N 1 +ATOM 11426 N N B PHE C 3 340 ? 38.118 -34.643 -65.176 0.60 41.41 ? 358 PHE C N 1 +ATOM 11427 C CA A PHE C 3 340 ? 38.804 -35.752 -65.783 0.40 50.03 ? 358 PHE C CA 1 +ATOM 11428 C CA B PHE C 3 340 ? 38.829 -35.756 -65.792 0.60 50.16 ? 358 PHE C CA 1 +ATOM 11429 C C A PHE C 3 340 ? 39.920 -35.276 -66.716 0.40 50.72 ? 358 PHE C C 1 +ATOM 11430 C C B PHE C 3 340 ? 39.945 -35.299 -66.730 0.60 50.84 ? 358 PHE C C 1 +ATOM 11431 O O A PHE C 3 340 ? 40.405 -36.056 -67.540 0.40 50.79 ? 358 PHE C O 1 +ATOM 11432 O O B PHE C 3 340 ? 40.435 -36.095 -67.534 0.60 50.88 ? 358 PHE C O 1 +ATOM 11433 C CB A PHE C 3 340 ? 37.835 -36.683 -66.523 0.40 48.22 ? 358 PHE C CB 1 +ATOM 11434 C CB B PHE C 3 340 ? 37.842 -36.657 -66.543 0.60 48.28 ? 358 PHE C CB 1 +ATOM 11435 C CG A PHE C 3 340 ? 36.978 -37.531 -65.612 0.40 47.11 ? 358 PHE C CG 1 +ATOM 11436 C CG B PHE C 3 340 ? 36.973 -37.497 -65.637 0.60 47.28 ? 358 PHE C CG 1 +ATOM 11437 C CD1 A PHE C 3 340 ? 37.550 -38.277 -64.577 0.40 39.32 ? 358 PHE C CD1 1 +ATOM 11438 C CD1 B PHE C 3 340 ? 37.528 -38.217 -64.588 0.60 39.10 ? 358 PHE C CD1 1 +ATOM 11439 C CD2 A PHE C 3 340 ? 35.601 -37.589 -65.797 0.40 44.50 ? 358 PHE C CD2 1 +ATOM 11440 C CD2 B PHE C 3 340 ? 35.599 -37.553 -65.827 0.60 44.54 ? 358 PHE C CD2 1 +ATOM 11441 C CE1 A PHE C 3 340 ? 36.766 -39.088 -63.767 0.40 45.35 ? 358 PHE C CE1 1 +ATOM 11442 C CE1 B PHE C 3 340 ? 36.737 -38.997 -63.760 0.60 45.39 ? 358 PHE C CE1 1 +ATOM 11443 C CE2 A PHE C 3 340 ? 34.805 -38.379 -64.976 0.40 44.43 ? 358 PHE C CE2 1 +ATOM 11444 C CE2 B PHE C 3 340 ? 34.798 -38.321 -64.991 0.60 44.42 ? 358 PHE C CE2 1 +ATOM 11445 C CZ A PHE C 3 340 ? 35.381 -39.137 -63.967 0.40 45.12 ? 358 PHE C CZ 1 +ATOM 11446 C CZ B PHE C 3 340 ? 35.367 -39.048 -63.957 0.60 45.16 ? 358 PHE C CZ 1 +ATOM 11447 N N A TRP C 3 341 ? 40.342 -34.013 -66.604 0.40 50.13 ? 359 TRP C N 1 +ATOM 11448 N N B TRP C 3 341 ? 40.379 -34.040 -66.632 0.60 50.26 ? 359 TRP C N 1 +ATOM 11449 C CA A TRP C 3 341 ? 41.284 -33.477 -67.582 0.40 43.95 ? 359 TRP C CA 1 +ATOM 11450 C CA B TRP C 3 341 ? 41.327 -33.516 -67.608 0.60 43.77 ? 359 TRP C CA 1 +ATOM 11451 C C A TRP C 3 341 ? 42.652 -34.147 -67.520 0.40 50.69 ? 359 TRP C C 1 +ATOM 11452 C C B TRP C 3 341 ? 42.699 -34.173 -67.525 0.60 50.73 ? 359 TRP C C 1 +ATOM 11453 O O A TRP C 3 341 ? 43.458 -33.952 -68.427 0.40 50.19 ? 359 TRP C O 1 +ATOM 11454 O O B TRP C 3 341 ? 43.514 -33.972 -68.426 0.60 50.36 ? 359 TRP C O 1 +ATOM 11455 C CB A TRP C 3 341 ? 41.427 -31.965 -67.406 0.40 43.75 ? 359 TRP C CB 1 +ATOM 11456 C CB B TRP C 3 341 ? 41.462 -32.009 -67.444 0.60 43.70 ? 359 TRP C CB 1 +ATOM 11457 C CG A TRP C 3 341 ? 42.218 -31.527 -66.199 0.40 44.34 ? 359 TRP C CG 1 +ATOM 11458 C CG B TRP C 3 341 ? 42.249 -31.569 -66.252 0.60 44.21 ? 359 TRP C CG 1 +ATOM 11459 C CD1 A TRP C 3 341 ? 41.788 -31.480 -64.896 0.40 47.16 ? 359 TRP C CD1 1 +ATOM 11460 C CD1 B TRP C 3 341 ? 41.820 -31.520 -64.957 0.60 47.21 ? 359 TRP C CD1 1 +ATOM 11461 C CD2 A TRP C 3 341 ? 43.568 -31.050 -66.191 0.40 51.90 ? 359 TRP C CD2 1 +ATOM 11462 C CD2 B TRP C 3 341 ? 43.599 -31.083 -66.245 0.60 51.97 ? 359 TRP C CD2 1 +ATOM 11463 N NE1 A TRP C 3 341 ? 42.796 -31.009 -64.078 0.40 49.23 ? 359 TRP C NE1 1 +ATOM 11464 N NE1 B TRP C 3 341 ? 42.823 -31.044 -64.142 0.60 49.31 ? 359 TRP C NE1 1 +ATOM 11465 C CE2 A TRP C 3 341 ? 43.897 -30.738 -64.848 0.40 49.42 ? 359 TRP C CE2 1 +ATOM 11466 C CE2 B TRP C 3 341 ? 43.923 -30.767 -64.907 0.60 49.52 ? 359 TRP C CE2 1 +ATOM 11467 C CE3 A TRP C 3 341 ? 44.532 -30.848 -67.190 0.40 51.97 ? 359 TRP C CE3 1 +ATOM 11468 C CE3 B TRP C 3 341 ? 44.564 -30.881 -67.241 0.60 52.03 ? 359 TRP C CE3 1 +ATOM 11469 C CZ2 A TRP C 3 341 ? 45.144 -30.235 -64.483 0.40 50.72 ? 359 TRP C CZ2 1 +ATOM 11470 C CZ2 B TRP C 3 341 ? 45.166 -30.263 -64.540 0.60 50.86 ? 359 TRP C CZ2 1 +ATOM 11471 C CZ3 A TRP C 3 341 ? 45.776 -30.359 -66.824 0.40 46.39 ? 359 TRP C CZ3 1 +ATOM 11472 C CZ3 B TRP C 3 341 ? 45.804 -30.382 -66.874 0.60 46.28 ? 359 TRP C CZ3 1 +ATOM 11473 C CH2 A TRP C 3 341 ? 46.067 -30.049 -65.486 0.40 53.39 ? 359 TRP C CH2 1 +ATOM 11474 C CH2 B TRP C 3 341 ? 46.092 -30.076 -65.538 0.60 53.44 ? 359 TRP C CH2 1 +ATOM 11475 N N A ASP C 3 342 ? 42.925 -34.946 -66.498 0.40 48.58 ? 360 ASP C N 1 +ATOM 11476 N N B ASP C 3 342 ? 42.973 -34.953 -66.477 0.60 48.54 ? 360 ASP C N 1 +ATOM 11477 C CA A ASP C 3 342 ? 44.182 -35.675 -66.452 0.40 54.02 ? 360 ASP C CA 1 +ATOM 11478 C CA B ASP C 3 342 ? 44.227 -35.687 -66.394 0.60 54.22 ? 360 ASP C CA 1 +ATOM 11479 C C A ASP C 3 342 ? 44.192 -36.889 -67.361 0.40 57.02 ? 360 ASP C C 1 +ATOM 11480 C C B ASP C 3 342 ? 44.259 -36.890 -67.313 0.60 57.23 ? 360 ASP C C 1 +ATOM 11481 O O A ASP C 3 342 ? 45.232 -37.548 -67.467 0.40 52.75 ? 360 ASP C O 1 +ATOM 11482 O O B ASP C 3 342 ? 45.314 -37.529 -67.424 0.60 52.68 ? 360 ASP C O 1 +ATOM 11483 C CB A ASP C 3 342 ? 44.476 -36.123 -65.021 0.40 48.98 ? 360 ASP C CB 1 +ATOM 11484 C CB B ASP C 3 342 ? 44.472 -36.164 -64.961 0.60 48.77 ? 360 ASP C CB 1 +ATOM 11485 C CG A ASP C 3 342 ? 44.496 -34.961 -64.053 0.40 53.36 ? 360 ASP C CG 1 +ATOM 11486 C CG B ASP C 3 342 ? 44.475 -35.029 -63.967 0.60 53.44 ? 360 ASP C CG 1 +ATOM 11487 O OD1 A ASP C 3 342 ? 45.400 -34.112 -64.162 0.40 55.83 ? 360 ASP C OD1 1 +ATOM 11488 O OD1 B ASP C 3 342 ? 45.326 -34.128 -64.100 0.60 55.90 ? 360 ASP C OD1 1 +ATOM 11489 O OD2 A ASP C 3 342 ? 43.586 -34.877 -63.211 0.40 54.11 ? 360 ASP C OD2 1 +ATOM 11490 O OD2 B ASP C 3 342 ? 43.617 -35.030 -63.063 0.60 54.51 ? 360 ASP C OD2 1 +ATOM 11491 N N A PHE C 3 343 ? 43.056 -37.215 -67.974 0.40 51.78 ? 361 PHE C N 1 +ATOM 11492 N N B PHE C 3 343 ? 43.130 -37.235 -67.929 0.60 51.88 ? 361 PHE C N 1 +ATOM 11493 C CA A PHE C 3 343 ? 42.980 -38.376 -68.847 0.40 54.59 ? 361 PHE C CA 1 +ATOM 11494 C CA B PHE C 3 343 ? 43.073 -38.397 -68.801 0.60 54.66 ? 361 PHE C CA 1 +ATOM 11495 C C A PHE C 3 343 ? 43.913 -38.227 -70.050 0.40 49.84 ? 361 PHE C C 1 +ATOM 11496 C C B PHE C 3 343 ? 44.007 -38.236 -69.998 0.60 49.64 ? 361 PHE C C 1 +ATOM 11497 O O A PHE C 3 343 ? 43.979 -37.167 -70.674 0.40 57.36 ? 361 PHE C O 1 +ATOM 11498 O O B PHE C 3 343 ? 44.123 -37.152 -70.573 0.60 57.75 ? 361 PHE C O 1 +ATOM 11499 C CB A PHE C 3 343 ? 41.548 -38.585 -69.341 0.40 55.04 ? 361 PHE C CB 1 +ATOM 11500 C CB B PHE C 3 343 ? 41.643 -38.616 -69.295 0.60 55.32 ? 361 PHE C CB 1 +ATOM 11501 C CG A PHE C 3 343 ? 41.469 -39.535 -70.498 0.40 55.37 ? 361 PHE C CG 1 +ATOM 11502 C CG B PHE C 3 343 ? 41.559 -39.574 -70.436 0.60 55.42 ? 361 PHE C CG 1 +ATOM 11503 C CD1 A PHE C 3 343 ? 41.574 -40.901 -70.286 0.40 48.15 ? 361 PHE C CD1 1 +ATOM 11504 C CD1 B PHE C 3 343 ? 41.631 -40.935 -70.208 0.60 47.83 ? 361 PHE C CD1 1 +ATOM 11505 C CD2 A PHE C 3 343 ? 41.340 -39.059 -71.804 0.40 50.17 ? 361 PHE C CD2 1 +ATOM 11506 C CD2 B PHE C 3 343 ? 41.443 -39.110 -71.750 0.60 50.22 ? 361 PHE C CD2 1 +ATOM 11507 C CE1 A PHE C 3 343 ? 41.543 -41.791 -71.367 0.40 54.27 ? 361 PHE C CE1 1 +ATOM 11508 C CE1 B PHE C 3 343 ? 41.578 -41.834 -71.274 0.60 54.42 ? 361 PHE C CE1 1 +ATOM 11509 C CE2 A PHE C 3 343 ? 41.301 -39.944 -72.892 0.40 50.24 ? 361 PHE C CE2 1 +ATOM 11510 C CE2 B PHE C 3 343 ? 41.389 -39.998 -72.817 0.60 50.22 ? 361 PHE C CE2 1 +ATOM 11511 C CZ A PHE C 3 343 ? 41.405 -41.312 -72.666 0.40 53.54 ? 361 PHE C CZ 1 +ATOM 11512 C CZ B PHE C 3 343 ? 41.454 -41.362 -72.579 0.60 53.66 ? 361 PHE C CZ 1 +ATOM 11513 N N A ARG C 3 344 ? 44.618 -39.307 -70.388 0.40 50.08 ? 362 ARG C N 1 +ATOM 11514 N N B ARG C 3 344 ? 44.669 -39.327 -70.376 0.60 50.13 ? 362 ARG C N 1 +ATOM 11515 C CA A ARG C 3 344 ? 45.432 -39.376 -71.599 0.40 51.18 ? 362 ARG C CA 1 +ATOM 11516 C CA B ARG C 3 344 ? 45.464 -39.393 -71.597 0.60 51.21 ? 362 ARG C CA 1 +ATOM 11517 C C A ARG C 3 344 ? 45.092 -40.670 -72.335 0.40 58.01 ? 362 ARG C C 1 +ATOM 11518 C C B ARG C 3 344 ? 45.103 -40.677 -72.331 0.60 58.22 ? 362 ARG C C 1 +ATOM 11519 O O A ARG C 3 344 ? 45.051 -41.746 -71.724 0.40 50.95 ? 362 ARG C O 1 +ATOM 11520 O O B ARG C 3 344 ? 45.019 -41.745 -71.714 0.60 50.92 ? 362 ARG C O 1 +ATOM 11521 C CB A ARG C 3 344 ? 46.940 -39.331 -71.284 0.40 48.81 ? 362 ARG C CB 1 +ATOM 11522 C CB B ARG C 3 344 ? 46.972 -39.362 -71.304 0.60 48.70 ? 362 ARG C CB 1 +ATOM 11523 C CG A ARG C 3 344 ? 47.373 -38.275 -70.268 0.40 47.26 ? 362 ARG C CG 1 +ATOM 11524 C CG B ARG C 3 344 ? 47.425 -38.313 -70.290 0.60 47.12 ? 362 ARG C CG 1 +ATOM 11525 C CD A ARG C 3 344 ? 47.320 -36.863 -70.835 0.40 53.50 ? 362 ARG C CD 1 +ATOM 11526 C CD B ARG C 3 344 ? 47.375 -36.902 -70.850 0.60 53.48 ? 362 ARG C CD 1 +ATOM 11527 N NE A ARG C 3 344 ? 48.293 -36.672 -71.905 0.40 65.84 ? 362 ARG C NE 1 +ATOM 11528 N NE B ARG C 3 344 ? 48.376 -36.692 -71.889 0.60 66.12 ? 362 ARG C NE 1 +ATOM 11529 C CZ A ARG C 3 344 ? 49.576 -36.394 -71.709 0.40 63.82 ? 362 ARG C CZ 1 +ATOM 11530 C CZ B ARG C 3 344 ? 49.639 -36.353 -71.662 0.60 63.84 ? 362 ARG C CZ 1 +ATOM 11531 N NH1 A ARG C 3 344 ? 50.077 -36.258 -70.491 0.40 59.66 ? 362 ARG C NH1 1 +ATOM 11532 N NH1 B ARG C 3 344 ? 50.096 -36.163 -70.435 0.60 59.56 ? 362 ARG C NH1 1 +ATOM 11533 N NH2 A ARG C 3 344 ? 50.378 -36.257 -72.762 0.40 66.70 ? 362 ARG C NH2 1 +ATOM 11534 N NH2 B ARG C 3 344 ? 50.468 -36.209 -72.691 0.60 66.75 ? 362 ARG C NH2 1 +ATOM 11535 N N . GLY C 3 345 ? 44.878 -40.575 -73.640 1.00 55.52 ? 363 GLY C N 1 +ATOM 11536 C CA . GLY C 3 345 ? 44.596 -41.745 -74.442 1.00 50.59 ? 363 GLY C CA 1 +ATOM 11537 C C . GLY C 3 345 ? 44.941 -41.526 -75.901 1.00 49.61 ? 363 GLY C C 1 +ATOM 11538 O O . GLY C 3 345 ? 44.907 -40.392 -76.402 1.00 55.86 ? 363 GLY C O 1 +ATOM 11539 N N . PRO C 3 346 ? 45.259 -42.612 -76.616 1.00 55.79 ? 364 PRO C N 1 +ATOM 11540 C CA . PRO C 3 346 ? 45.783 -42.457 -77.991 1.00 53.91 ? 364 PRO C CA 1 +ATOM 11541 C C . PRO C 3 346 ? 44.833 -41.749 -78.943 1.00 57.26 ? 364 PRO C C 1 +ATOM 11542 O O . PRO C 3 346 ? 45.305 -41.048 -79.844 1.00 52.64 ? 364 PRO C O 1 +ATOM 11543 C CB . PRO C 3 346 ? 46.065 -43.898 -78.436 1.00 52.38 ? 364 PRO C CB 1 +ATOM 11544 C CG . PRO C 3 346 ? 45.369 -44.783 -77.424 1.00 55.24 ? 364 PRO C CG 1 +ATOM 11545 C CD . PRO C 3 346 ? 45.264 -44.015 -76.160 1.00 50.71 ? 364 PRO C CD 1 +ATOM 11546 N N A TRP C 3 347 ? 43.514 -41.883 -78.760 0.40 51.99 ? 365 TRP C N 1 +ATOM 11547 N N B TRP C 3 347 ? 43.516 -41.888 -78.762 0.60 51.99 ? 365 TRP C N 1 +ATOM 11548 C CA A TRP C 3 347 ? 42.580 -41.226 -79.665 0.40 52.54 ? 365 TRP C CA 1 +ATOM 11549 C CA B TRP C 3 347 ? 42.574 -41.227 -79.659 0.60 52.47 ? 365 TRP C CA 1 +ATOM 11550 C C A TRP C 3 347 ? 42.486 -39.728 -79.430 0.40 52.57 ? 365 TRP C C 1 +ATOM 11551 C C B TRP C 3 347 ? 42.480 -39.730 -79.422 0.60 52.49 ? 365 TRP C C 1 +ATOM 11552 O O A TRP C 3 347 ? 41.985 -39.010 -80.302 0.40 61.76 ? 365 TRP C O 1 +ATOM 11553 O O B TRP C 3 347 ? 41.966 -39.013 -80.290 0.60 62.03 ? 365 TRP C O 1 +ATOM 11554 C CB A TRP C 3 347 ? 41.196 -41.861 -79.537 0.40 54.68 ? 365 TRP C CB 1 +ATOM 11555 C CB B TRP C 3 347 ? 41.184 -41.853 -79.532 0.60 54.70 ? 365 TRP C CB 1 +ATOM 11556 C CG A TRP C 3 347 ? 40.646 -41.827 -78.144 0.40 55.42 ? 365 TRP C CG 1 +ATOM 11557 C CG B TRP C 3 347 ? 40.631 -41.838 -78.143 0.60 55.49 ? 365 TRP C CG 1 +ATOM 11558 C CD1 A TRP C 3 347 ? 40.800 -42.781 -77.172 0.40 52.39 ? 365 TRP C CD1 1 +ATOM 11559 C CD1 B TRP C 3 347 ? 40.793 -42.802 -77.185 0.60 52.38 ? 365 TRP C CD1 1 +ATOM 11560 C CD2 A TRP C 3 347 ? 39.857 -40.784 -77.562 0.40 54.11 ? 365 TRP C CD2 1 +ATOM 11561 C CD2 B TRP C 3 347 ? 39.822 -40.815 -77.548 0.60 54.15 ? 365 TRP C CD2 1 +ATOM 11562 N NE1 A TRP C 3 347 ? 40.155 -42.391 -76.018 0.40 53.11 ? 365 TRP C NE1 1 +ATOM 11563 N NE1 B TRP C 3 347 ? 40.135 -42.443 -76.038 0.60 53.12 ? 365 TRP C NE1 1 +ATOM 11564 C CE2 A TRP C 3 347 ? 39.565 -41.172 -76.229 0.40 55.83 ? 365 TRP C CE2 1 +ATOM 11565 C CE2 B TRP C 3 347 ? 39.529 -41.229 -76.228 0.60 55.87 ? 365 TRP C CE2 1 +ATOM 11566 C CE3 A TRP C 3 347 ? 39.373 -39.558 -78.031 0.40 51.64 ? 365 TRP C CE3 1 +ATOM 11567 C CE3 B TRP C 3 347 ? 39.314 -39.591 -78.001 0.60 51.63 ? 365 TRP C CE3 1 +ATOM 11568 C CZ2 A TRP C 3 347 ? 38.803 -40.371 -75.360 0.40 51.95 ? 365 TRP C CZ2 1 +ATOM 11569 C CZ2 B TRP C 3 347 ? 38.756 -40.456 -75.347 0.60 52.00 ? 365 TRP C CZ2 1 +ATOM 11570 C CZ3 A TRP C 3 347 ? 38.610 -38.767 -77.173 0.40 48.80 ? 365 TRP C CZ3 1 +ATOM 11571 C CZ3 B TRP C 3 347 ? 38.541 -38.827 -77.130 0.60 48.70 ? 365 TRP C CZ3 1 +ATOM 11572 C CH2 A TRP C 3 347 ? 38.333 -39.178 -75.850 0.40 52.47 ? 365 TRP C CH2 1 +ATOM 11573 C CH2 B TRP C 3 347 ? 38.268 -39.265 -75.818 0.60 52.41 ? 365 TRP C CH2 1 +ATOM 11574 N N A LEU C 3 348 ? 42.977 -39.234 -78.299 0.40 54.81 ? 366 LEU C N 1 +ATOM 11575 N N B LEU C 3 348 ? 42.981 -39.234 -78.291 0.60 54.87 ? 366 LEU C N 1 +ATOM 11576 C CA A LEU C 3 348 ? 42.840 -37.831 -77.932 0.40 51.53 ? 366 LEU C CA 1 +ATOM 11577 C CA B LEU C 3 348 ? 42.836 -37.838 -77.909 0.60 51.49 ? 366 LEU C CA 1 +ATOM 11578 C C A LEU C 3 348 ? 44.124 -37.034 -78.092 0.40 52.78 ? 366 LEU C C 1 +ATOM 11579 C C B LEU C 3 348 ? 44.118 -37.028 -78.038 0.60 52.78 ? 366 LEU C C 1 +ATOM 11580 O O A LEU C 3 348 ? 44.072 -35.867 -78.491 0.40 53.70 ? 366 LEU C O 1 +ATOM 11581 O O B LEU C 3 348 ? 44.052 -35.834 -78.338 0.60 53.71 ? 366 LEU C O 1 +ATOM 11582 C CB A LEU C 3 348 ? 42.352 -37.722 -76.476 0.40 53.78 ? 366 LEU C CB 1 +ATOM 11583 C CB B LEU C 3 348 ? 42.331 -37.741 -76.460 0.60 53.78 ? 366 LEU C CB 1 +ATOM 11584 C CG A LEU C 3 348 ? 42.099 -36.312 -75.936 0.40 51.85 ? 366 LEU C CG 1 +ATOM 11585 C CG B LEU C 3 348 ? 42.053 -36.345 -75.896 0.60 51.79 ? 366 LEU C CG 1 +ATOM 11586 C CD1 A LEU C 3 348 ? 41.119 -35.573 -76.824 0.40 49.70 ? 366 LEU C CD1 1 +ATOM 11587 C CD1 B LEU C 3 348 ? 41.088 -35.579 -76.786 0.60 49.65 ? 366 LEU C CD1 1 +ATOM 11588 C CD2 A LEU C 3 348 ? 41.608 -36.331 -74.473 0.40 51.94 ? 366 LEU C CD2 1 +ATOM 11589 C CD2 B LEU C 3 348 ? 41.517 -36.411 -74.476 0.60 51.90 ? 366 LEU C CD2 1 +ATOM 11590 N N . GLU C 3 349 ? 45.276 -37.651 -77.825 1.00 52.87 ? 367 GLU C N 1 +ATOM 11591 C CA . GLU C 3 349 ? 46.533 -36.908 -77.820 1.00 53.47 ? 367 GLU C CA 1 +ATOM 11592 C C . GLU C 3 349 ? 46.885 -36.196 -79.129 1.00 58.64 ? 367 GLU C C 1 +ATOM 11593 O O . GLU C 3 349 ? 47.552 -35.150 -79.047 1.00 63.66 ? 367 GLU C O 1 +ATOM 11594 C CB . GLU C 3 349 ? 47.679 -37.846 -77.408 1.00 48.75 ? 367 GLU C CB 1 +ATOM 11595 C CG . GLU C 3 349 ? 47.477 -38.509 -76.070 1.00 52.69 ? 367 GLU C CG 1 +ATOM 11596 C CD . GLU C 3 349 ? 47.054 -37.531 -74.973 1.00 65.39 ? 367 GLU C CD 1 +ATOM 11597 O OE1 . GLU C 3 349 ? 47.768 -36.529 -74.725 1.00 61.32 ? 367 GLU C OE1 1 +ATOM 11598 O OE2 . GLU C 3 349 ? 45.991 -37.766 -74.358 1.00 54.74 ? 367 GLU C OE2 1 +ATOM 11599 N N . PRO C 3 350 ? 46.508 -36.671 -80.326 1.00 57.82 ? 368 PRO C N 1 +ATOM 11600 C CA . PRO C 3 350 ? 46.790 -35.866 -81.534 1.00 50.78 ? 368 PRO C CA 1 +ATOM 11601 C C . PRO C 3 350 ? 46.223 -34.451 -81.483 1.00 63.32 ? 368 PRO C C 1 +ATOM 11602 O O . PRO C 3 350 ? 46.736 -33.574 -82.192 1.00 62.13 ? 368 PRO C O 1 +ATOM 11603 C CB . PRO C 3 350 ? 46.155 -36.684 -82.667 1.00 56.34 ? 368 PRO C CB 1 +ATOM 11604 C CG . PRO C 3 350 ? 46.232 -38.127 -82.178 1.00 52.64 ? 368 PRO C CG 1 +ATOM 11605 C CD . PRO C 3 350 ? 46.078 -38.046 -80.667 1.00 54.34 ? 368 PRO C CD 1 +ATOM 11606 N N . LEU C 3 351 ? 45.199 -34.188 -80.667 1.00 59.94 ? 369 LEU C N 1 +ATOM 11607 C CA . LEU C 3 351 ? 44.627 -32.849 -80.568 1.00 58.65 ? 369 LEU C CA 1 +ATOM 11608 C C . LEU C 3 351 ? 45.329 -31.987 -79.530 1.00 52.27 ? 369 LEU C C 1 +ATOM 11609 O O . LEU C 3 351 ? 44.951 -30.825 -79.344 1.00 56.12 ? 369 LEU C O 1 +ATOM 11610 C CB . LEU C 3 351 ? 43.134 -32.934 -80.246 1.00 55.33 ? 369 LEU C CB 1 +ATOM 11611 C CG . LEU C 3 351 ? 42.344 -33.748 -81.266 1.00 64.53 ? 369 LEU C CG 1 +ATOM 11612 C CD1 . LEU C 3 351 ? 40.884 -33.835 -80.856 1.00 56.66 ? 369 LEU C CD1 1 +ATOM 11613 C CD2 . LEU C 3 351 ? 42.486 -33.140 -82.674 1.00 63.35 ? 369 LEU C CD2 1 +ATOM 11614 N N . ARG C 3 352 ? 46.347 -32.528 -78.875 1.00 55.98 ? 370 ARG C N 1 +ATOM 11615 C CA . ARG C 3 352 ? 46.992 -31.883 -77.745 1.00 63.32 ? 370 ARG C CA 1 +ATOM 11616 C C . ARG C 3 352 ? 48.168 -31.048 -78.240 1.00 62.36 ? 370 ARG C C 1 +ATOM 11617 O O . ARG C 3 352 ? 48.975 -31.509 -79.049 1.00 67.92 ? 370 ARG C O 1 +ATOM 11618 C CB . ARG C 3 352 ? 47.446 -32.947 -76.735 1.00 67.32 ? 370 ARG C CB 1 +ATOM 11619 C CG . ARG C 3 352 ? 47.827 -32.446 -75.335 1.00 63.38 ? 370 ARG C CG 1 +ATOM 11620 C CD . ARG C 3 352 ? 46.692 -32.532 -74.329 1.00 61.81 ? 370 ARG C CD 1 +ATOM 11621 N NE . ARG C 3 352 ? 46.294 -33.902 -74.007 1.00 56.84 ? 370 ARG C NE 1 +ATOM 11622 C CZ . ARG C 3 352 ? 45.191 -34.205 -73.331 1.00 53.51 ? 370 ARG C CZ 1 +ATOM 11623 N NH1 . ARG C 3 352 ? 44.384 -33.261 -72.866 1.00 54.29 ? 370 ARG C NH1 1 +ATOM 11624 N NH2 . ARG C 3 352 ? 44.884 -35.480 -73.125 1.00 46.50 ? 370 ARG C NH2 1 +ATOM 11625 N N . GLY C 3 353 ? 48.241 -29.809 -77.783 1.00 62.37 ? 371 GLY C N 1 +ATOM 11626 C CA . GLY C 3 353 ? 49.390 -28.987 -78.035 1.00 57.81 ? 371 GLY C CA 1 +ATOM 11627 C C . GLY C 3 353 ? 50.088 -28.681 -76.733 1.00 56.54 ? 371 GLY C C 1 +ATOM 11628 O O . GLY C 3 353 ? 49.688 -29.158 -75.672 1.00 60.24 ? 371 GLY C O 1 +ATOM 11629 N N . PRO C 3 354 ? 51.126 -27.845 -76.785 1.00 77.84 ? 372 PRO C N 1 +ATOM 11630 C CA . PRO C 3 354 ? 51.829 -27.472 -75.544 1.00 68.88 ? 372 PRO C CA 1 +ATOM 11631 C C . PRO C 3 354 ? 50.918 -26.895 -74.476 1.00 65.45 ? 372 PRO C C 1 +ATOM 11632 O O . PRO C 3 354 ? 51.170 -27.117 -73.288 1.00 64.21 ? 372 PRO C O 1 +ATOM 11633 C CB . PRO C 3 354 ? 52.855 -26.430 -76.022 1.00 75.55 ? 372 PRO C CB 1 +ATOM 11634 C CG . PRO C 3 354 ? 52.970 -26.644 -77.502 1.00 74.84 ? 372 PRO C CG 1 +ATOM 11635 C CD . PRO C 3 354 ? 51.622 -27.095 -77.953 1.00 61.49 ? 372 PRO C CD 1 +ATOM 11636 N N . ASN C 3 355 ? 49.861 -26.171 -74.852 1.00 60.01 ? 373 ASN C N 1 +ATOM 11637 C CA . ASN C 3 355 ? 48.953 -25.557 -73.888 1.00 57.42 ? 373 ASN C CA 1 +ATOM 11638 C C . ASN C 3 355 ? 47.718 -26.403 -73.594 1.00 67.04 ? 373 ASN C C 1 +ATOM 11639 O O . ASN C 3 355 ? 46.756 -25.887 -73.006 1.00 54.94 ? 373 ASN C O 1 +ATOM 11640 C CB . ASN C 3 355 ? 48.503 -24.190 -74.391 1.00 49.59 ? 373 ASN C CB 1 +ATOM 11641 C CG . ASN C 3 355 ? 49.575 -23.134 -74.241 1.00 70.38 ? 373 ASN C CG 1 +ATOM 11642 O OD1 . ASN C 3 355 ? 50.651 -23.398 -73.706 1.00 72.45 ? 373 ASN C OD1 1 +ATOM 11643 N ND2 . ASN C 3 355 ? 49.286 -21.924 -74.711 1.00 85.42 ? 373 ASN C ND2 1 +ATOM 11644 N N . GLY C 3 356 ? 47.708 -27.663 -74.001 1.00 55.08 ? 374 GLY C N 1 +ATOM 11645 C CA . GLY C 3 356 ? 46.520 -28.479 -73.894 1.00 55.58 ? 374 GLY C CA 1 +ATOM 11646 C C . GLY C 3 356 ? 45.840 -28.628 -75.238 1.00 57.21 ? 374 GLY C C 1 +ATOM 11647 O O . GLY C 3 356 ? 46.454 -28.494 -76.294 1.00 60.35 ? 374 GLY C O 1 +ATOM 11648 N N . LEU C 3 357 ? 44.525 -28.871 -75.185 1.00 50.04 ? 375 LEU C N 1 +ATOM 11649 C CA . LEU C 3 357 ? 43.738 -29.010 -76.400 1.00 55.19 ? 375 LEU C CA 1 +ATOM 11650 C C . LEU C 3 357 ? 43.949 -27.804 -77.307 1.00 57.62 ? 375 LEU C C 1 +ATOM 11651 O O . LEU C 3 357 ? 43.784 -26.654 -76.892 1.00 60.73 ? 375 LEU C O 1 +ATOM 11652 C CB . LEU C 3 357 ? 42.251 -29.186 -76.066 1.00 56.04 ? 375 LEU C CB 1 +ATOM 11653 C CG . LEU C 3 357 ? 41.918 -30.493 -75.325 1.00 65.10 ? 375 LEU C CG 1 +ATOM 11654 C CD1 . LEU C 3 357 ? 40.412 -30.680 -75.141 1.00 53.64 ? 375 LEU C CD1 1 +ATOM 11655 C CD2 . LEU C 3 357 ? 42.529 -31.688 -76.048 1.00 65.58 ? 375 LEU C CD2 1 +ATOM 11656 N N . ASP C 3 358 ? 44.341 -28.080 -78.549 1.00 71.44 ? 376 ASP C N 1 +ATOM 11657 C CA . ASP C 3 358 ? 44.692 -27.047 -79.518 1.00 53.63 ? 376 ASP C CA 1 +ATOM 11658 C C . ASP C 3 358 ? 43.501 -26.748 -80.419 1.00 52.96 ? 376 ASP C C 1 +ATOM 11659 O O . ASP C 3 358 ? 43.037 -27.625 -81.163 1.00 58.02 ? 376 ASP C O 1 +ATOM 11660 C CB . ASP C 3 358 ? 45.893 -27.484 -80.353 1.00 73.78 ? 376 ASP C CB 1 +ATOM 11661 C CG . ASP C 3 358 ? 46.480 -26.344 -81.144 1.00 64.15 ? 376 ASP C CG 1 +ATOM 11662 O OD1 . ASP C 3 358 ? 45.754 -25.767 -81.980 1.00 65.68 ? 376 ASP C OD1 1 +ATOM 11663 O OD2 . ASP C 3 358 ? 47.650 -26.003 -80.884 1.00 97.33 ? 376 ASP C OD2 1 +ATOM 11664 N N . LEU C 3 359 ? 43.039 -25.500 -80.379 1.00 50.87 ? 377 LEU C N 1 +ATOM 11665 C CA . LEU C 3 359 ? 41.845 -25.120 -81.115 1.00 52.22 ? 377 LEU C CA 1 +ATOM 11666 C C . LEU C 3 359 ? 42.032 -25.272 -82.622 1.00 67.57 ? 377 LEU C C 1 +ATOM 11667 O O . LEU C 3 359 ? 41.083 -25.629 -83.333 1.00 64.31 ? 377 LEU C O 1 +ATOM 11668 C CB . LEU C 3 359 ? 41.476 -23.684 -80.748 1.00 63.67 ? 377 LEU C CB 1 +ATOM 11669 C CG . LEU C 3 359 ? 40.170 -23.152 -81.316 1.00 67.53 ? 377 LEU C CG 1 +ATOM 11670 C CD1 . LEU C 3 359 ? 39.023 -24.091 -80.900 1.00 61.26 ? 377 LEU C CD1 1 +ATOM 11671 C CD2 . LEU C 3 359 ? 39.949 -21.722 -80.821 1.00 58.82 ? 377 LEU C CD2 1 +ATOM 11672 N N . ASN C 3 360 ? 43.241 -25.018 -83.131 1.00 61.07 ? 378 ASN C N 1 +ATOM 11673 C CA . ASN C 3 360 ? 43.483 -25.171 -84.566 1.00 65.23 ? 378 ASN C CA 1 +ATOM 11674 C C . ASN C 3 360 ? 43.396 -26.628 -84.999 1.00 56.72 ? 378 ASN C C 1 +ATOM 11675 O O . ASN C 3 360 ? 42.811 -26.934 -86.049 1.00 57.36 ? 378 ASN C O 1 +ATOM 11676 C CB . ASN C 3 360 ? 44.842 -24.588 -84.936 1.00 61.85 ? 378 ASN C CB 1 +ATOM 11677 C CG . ASN C 3 360 ? 44.809 -23.077 -85.017 1.00 101.85 ? 378 ASN C CG 1 +ATOM 11678 O OD1 . ASN C 3 360 ? 43.938 -22.497 -85.679 1.00 76.62 ? 378 ASN C OD1 1 +ATOM 11679 N ND2 . ASN C 3 360 ? 45.742 -22.425 -84.317 1.00 86.29 ? 378 ASN C ND2 1 +ATOM 11680 N N . LYS C 3 361 ? 43.991 -27.533 -84.217 1.00 58.15 ? 379 LYS C N 1 +ATOM 11681 C CA . LYS C 3 361 ? 43.849 -28.964 -84.480 1.00 59.94 ? 379 LYS C CA 1 +ATOM 11682 C C . LYS C 3 361 ? 42.397 -29.405 -84.371 1.00 55.93 ? 379 LYS C C 1 +ATOM 11683 O O . LYS C 3 361 ? 41.926 -30.219 -85.170 1.00 56.70 ? 379 LYS C O 1 +ATOM 11684 C CB . LYS C 3 361 ? 44.729 -29.752 -83.512 1.00 52.17 ? 379 LYS C CB 1 +ATOM 11685 C CG . LYS C 3 361 ? 46.198 -29.646 -83.860 1.00 64.13 ? 379 LYS C CG 1 +ATOM 11686 C CD . LYS C 3 361 ? 47.094 -30.218 -82.783 1.00 62.28 ? 379 LYS C CD 1 +ATOM 11687 C CE . LYS C 3 361 ? 48.562 -30.005 -83.156 1.00 73.05 ? 379 LYS C CE 1 +ATOM 11688 N NZ . LYS C 3 361 ? 49.473 -30.107 -81.965 1.00 89.85 ? 379 LYS C NZ 1 +ATOM 11689 N N . ILE C 3 362 ? 41.671 -28.877 -83.385 1.00 63.81 ? 380 ILE C N 1 +ATOM 11690 C CA . ILE C 3 362 ? 40.258 -29.214 -83.235 1.00 64.10 ? 380 ILE C CA 1 +ATOM 11691 C C . ILE C 3 362 ? 39.473 -28.789 -84.469 1.00 61.65 ? 380 ILE C C 1 +ATOM 11692 O O . ILE C 3 362 ? 38.592 -29.516 -84.948 1.00 57.20 ? 380 ILE C O 1 +ATOM 11693 C CB . ILE C 3 362 ? 39.690 -28.574 -81.949 1.00 61.09 ? 380 ILE C CB 1 +ATOM 11694 C CG1 . ILE C 3 362 ? 40.097 -29.387 -80.720 1.00 59.53 ? 380 ILE C CG1 1 +ATOM 11695 C CG2 . ILE C 3 362 ? 38.171 -28.467 -82.019 1.00 45.91 ? 380 ILE C CG2 1 +ATOM 11696 C CD1 . ILE C 3 362 ? 39.790 -28.670 -79.412 1.00 71.14 ? 380 ILE C CD1 1 +ATOM 11697 N N . LYS C 3 363 ? 39.783 -27.603 -85.005 1.00 59.60 ? 381 LYS C N 1 +ATOM 11698 C CA . LYS C 3 363 ? 39.051 -27.076 -86.147 1.00 54.61 ? 381 LYS C CA 1 +ATOM 11699 C C . LYS C 3 363 ? 39.354 -27.837 -87.428 1.00 61.28 ? 381 LYS C C 1 +ATOM 11700 O O . LYS C 3 363 ? 38.488 -27.927 -88.303 1.00 66.68 ? 381 LYS C O 1 +ATOM 11701 C CB . LYS C 3 363 ? 39.369 -25.588 -86.337 1.00 58.19 ? 381 LYS C CB 1 +ATOM 11702 C CG . LYS C 3 363 ? 38.713 -24.687 -85.316 1.00 62.14 ? 381 LYS C CG 1 +ATOM 11703 C CD . LYS C 3 363 ? 39.118 -23.249 -85.525 1.00 74.76 ? 381 LYS C CD 1 +ATOM 11704 C CE . LYS C 3 363 ? 37.956 -22.340 -85.243 1.00 71.08 ? 381 LYS C CE 1 +ATOM 11705 N NZ . LYS C 3 363 ? 38.273 -20.902 -85.507 1.00 86.53 ? 381 LYS C NZ 1 +ATOM 11706 N N . ASN C 3 364 ? 40.553 -28.398 -87.562 1.00 59.23 ? 382 ASN C N 1 +ATOM 11707 C CA . ASN C 3 364 ? 40.986 -28.884 -88.865 1.00 63.71 ? 382 ASN C CA 1 +ATOM 11708 C C . ASN C 3 364 ? 41.414 -30.345 -88.917 1.00 73.52 ? 382 ASN C C 1 +ATOM 11709 O O . ASN C 3 364 ? 41.335 -30.943 -89.993 1.00 68.14 ? 382 ASN C O 1 +ATOM 11710 C CB . ASN C 3 364 ? 42.146 -28.028 -89.374 1.00 65.26 ? 382 ASN C CB 1 +ATOM 11711 C CG . ASN C 3 364 ? 41.775 -26.579 -89.478 1.00 71.15 ? 382 ASN C CG 1 +ATOM 11712 O OD1 . ASN C 3 364 ? 40.900 -26.211 -90.257 1.00 75.05 ? 382 ASN C OD1 1 +ATOM 11713 N ND2 . ASN C 3 364 ? 42.431 -25.740 -88.687 1.00 69.64 ? 382 ASN C ND2 1 +ATOM 11714 N N . ASP C 3 365 ? 41.879 -30.936 -87.814 1.00 58.13 ? 383 ASP C N 1 +ATOM 11715 C CA . ASP C 3 365 ? 42.610 -32.196 -87.886 1.00 61.45 ? 383 ASP C CA 1 +ATOM 11716 C C . ASP C 3 365 ? 41.871 -33.379 -87.271 1.00 69.21 ? 383 ASP C C 1 +ATOM 11717 O O . ASP C 3 365 ? 42.484 -34.433 -87.073 1.00 62.15 ? 383 ASP C O 1 +ATOM 11718 C CB . ASP C 3 365 ? 43.976 -32.066 -87.210 1.00 60.10 ? 383 ASP C CB 1 +ATOM 11719 C CG . ASP C 3 365 ? 44.816 -30.969 -87.798 1.00 80.09 ? 383 ASP C CG 1 +ATOM 11720 O OD1 . ASP C 3 365 ? 44.412 -30.377 -88.823 1.00 88.50 ? 383 ASP C OD1 1 +ATOM 11721 O OD2 . ASP C 3 365 ? 45.892 -30.699 -87.230 1.00 89.85 ? 383 ASP C OD2 1 +ATOM 11722 N N . ILE C 3 366 ? 40.587 -33.247 -86.954 1.00 57.53 ? 384 ILE C N 1 +ATOM 11723 C CA . ILE C 3 366 ? 39.878 -34.364 -86.342 1.00 62.91 ? 384 ILE C CA 1 +ATOM 11724 C C . ILE C 3 366 ? 39.521 -35.353 -87.435 1.00 62.44 ? 384 ILE C C 1 +ATOM 11725 O O . ILE C 3 366 ? 38.777 -35.022 -88.360 1.00 61.08 ? 384 ILE C O 1 +ATOM 11726 C CB . ILE C 3 366 ? 38.629 -33.906 -85.577 1.00 66.00 ? 384 ILE C CB 1 +ATOM 11727 C CG1 . ILE C 3 366 ? 39.032 -33.116 -84.318 1.00 68.15 ? 384 ILE C CG1 1 +ATOM 11728 C CG2 . ILE C 3 366 ? 37.797 -35.121 -85.185 1.00 53.44 ? 384 ILE C CG2 1 +ATOM 11729 C CD1 . ILE C 3 366 ? 37.868 -32.425 -83.624 1.00 63.62 ? 384 ILE C CD1 1 +ATOM 11730 N N . GLN C 3 367 ? 40.037 -36.571 -87.317 1.00 57.25 ? 385 GLN C N 1 +ATOM 11731 C CA . GLN C 3 367 ? 39.901 -37.668 -88.256 1.00 61.22 ? 385 GLN C CA 1 +ATOM 11732 C C . GLN C 3 367 ? 38.688 -38.531 -87.909 1.00 68.55 ? 385 GLN C C 1 +ATOM 11733 O O . GLN C 3 367 ? 38.305 -38.643 -86.740 1.00 57.28 ? 385 GLN C O 1 +ATOM 11734 C CB . GLN C 3 367 ? 41.162 -38.526 -88.252 1.00 56.76 ? 385 GLN C CB 1 +ATOM 11735 C CG . GLN C 3 367 ? 42.436 -37.732 -88.481 1.00 66.77 ? 385 GLN C CG 1 +ATOM 11736 C CD . GLN C 3 367 ? 42.387 -36.958 -89.787 1.00 79.43 ? 385 GLN C CD 1 +ATOM 11737 O OE1 . GLN C 3 367 ? 42.029 -37.511 -90.821 1.00 92.42 ? 385 GLN C OE1 1 +ATOM 11738 N NE2 . GLN C 3 367 ? 42.723 -35.668 -89.741 1.00 93.74 ? 385 GLN C NE2 1 +ATOM 11739 N N . PRO C 3 368 ? 38.062 -39.124 -88.922 1.00 59.74 ? 386 PRO C N 1 +ATOM 11740 C CA . PRO C 3 368 ? 36.905 -39.997 -88.666 1.00 55.44 ? 386 PRO C CA 1 +ATOM 11741 C C . PRO C 3 368 ? 37.162 -41.119 -87.663 1.00 57.78 ? 386 PRO C C 1 +ATOM 11742 O O . PRO C 3 368 ? 36.243 -41.495 -86.927 1.00 50.77 ? 386 PRO C O 1 +ATOM 11743 C CB . PRO C 3 368 ? 36.590 -40.549 -90.066 1.00 55.42 ? 386 PRO C CB 1 +ATOM 11744 C CG . PRO C 3 368 ? 36.990 -39.416 -90.985 1.00 53.11 ? 386 PRO C CG 1 +ATOM 11745 C CD . PRO C 3 368 ? 38.234 -38.827 -90.361 1.00 52.65 ? 386 PRO C CD 1 +ATOM 11746 N N . TRP C 3 369 ? 38.371 -41.679 -87.607 1.00 48.33 ? 387 TRP C N 1 +ATOM 11747 C CA . TRP C 3 369 ? 38.595 -42.755 -86.654 1.00 55.71 ? 387 TRP C CA 1 +ATOM 11748 C C . TRP C 3 369 ? 38.518 -42.254 -85.216 1.00 65.11 ? 387 TRP C C 1 +ATOM 11749 O O . TRP C 3 369 ? 38.210 -43.042 -84.306 1.00 59.09 ? 387 TRP C O 1 +ATOM 11750 C CB . TRP C 3 369 ? 39.938 -43.442 -86.909 1.00 49.22 ? 387 TRP C CB 1 +ATOM 11751 C CG . TRP C 3 369 ? 41.146 -42.620 -86.594 1.00 63.25 ? 387 TRP C CG 1 +ATOM 11752 C CD1 . TRP C 3 369 ? 41.831 -41.807 -87.455 1.00 55.77 ? 387 TRP C CD1 1 +ATOM 11753 C CD2 . TRP C 3 369 ? 41.836 -42.538 -85.329 1.00 61.79 ? 387 TRP C CD2 1 +ATOM 11754 N NE1 . TRP C 3 369 ? 42.898 -41.228 -86.809 1.00 60.10 ? 387 TRP C NE1 1 +ATOM 11755 C CE2 . TRP C 3 369 ? 42.923 -41.659 -85.506 1.00 59.05 ? 387 TRP C CE2 1 +ATOM 11756 C CE3 . TRP C 3 369 ? 41.627 -43.111 -84.067 1.00 59.93 ? 387 TRP C CE3 1 +ATOM 11757 C CZ2 . TRP C 3 369 ? 43.805 -41.343 -84.469 1.00 64.90 ? 387 TRP C CZ2 1 +ATOM 11758 C CZ3 . TRP C 3 369 ? 42.515 -42.821 -83.042 1.00 55.96 ? 387 TRP C CZ3 1 +ATOM 11759 C CH2 . TRP C 3 369 ? 43.589 -41.936 -83.247 1.00 63.02 ? 387 TRP C CH2 1 +ATOM 11760 N N . GLN C 3 370 ? 38.807 -40.964 -84.990 1.00 53.41 ? 388 GLN C N 1 +ATOM 11761 C CA . GLN C 3 370 ? 38.689 -40.400 -83.648 1.00 55.09 ? 388 GLN C CA 1 +ATOM 11762 C C . GLN C 3 370 ? 37.235 -40.185 -83.266 1.00 50.41 ? 388 GLN C C 1 +ATOM 11763 O O . GLN C 3 370 ? 36.841 -40.474 -82.129 1.00 55.35 ? 388 GLN C O 1 +ATOM 11764 C CB . GLN C 3 370 ? 39.461 -39.089 -83.554 1.00 46.90 ? 388 GLN C CB 1 +ATOM 11765 C CG . GLN C 3 370 ? 40.955 -39.274 -83.594 1.00 54.53 ? 388 GLN C CG 1 +ATOM 11766 C CD . GLN C 3 370 ? 41.672 -37.979 -83.888 1.00 64.78 ? 388 GLN C CD 1 +ATOM 11767 O OE1 . GLN C 3 370 ? 41.508 -37.399 -84.964 1.00 62.26 ? 388 GLN C OE1 1 +ATOM 11768 N NE2 . GLN C 3 370 ? 42.458 -37.504 -82.927 1.00 60.77 ? 388 GLN C NE2 1 +ATOM 11769 N N . GLU C 3 371 ? 36.430 -39.669 -84.195 1.00 49.60 ? 389 GLU C N 1 +ATOM 11770 C CA . GLU C 3 371 ? 34.994 -39.595 -83.968 1.00 51.36 ? 389 GLU C CA 1 +ATOM 11771 C C . GLU C 3 371 ? 34.399 -40.972 -83.662 1.00 50.60 ? 389 GLU C C 1 +ATOM 11772 O O . GLU C 3 371 ? 33.596 -41.107 -82.734 1.00 60.22 ? 389 GLU C O 1 +ATOM 11773 C CB . GLU C 3 371 ? 34.305 -38.957 -85.177 1.00 49.43 ? 389 GLU C CB 1 +ATOM 11774 C CG . GLU C 3 371 ? 32.777 -39.040 -85.086 1.00 58.36 ? 389 GLU C CG 1 +ATOM 11775 C CD . GLU C 3 371 ? 32.026 -38.211 -86.136 1.00 68.45 ? 389 GLU C CD 1 +ATOM 11776 O OE1 . GLU C 3 371 ? 32.667 -37.562 -87.000 1.00 56.94 ? 389 GLU C OE1 1 +ATOM 11777 O OE2 . GLU C 3 371 ? 30.772 -38.228 -86.088 1.00 63.73 ? 389 GLU C OE2 1 +ATOM 11778 N N . ARG C 3 372 ? 34.789 -42.005 -84.427 1.00 56.13 ? 390 ARG C N 1 +ATOM 11779 C CA . ARG C 3 372 ? 34.326 -43.374 -84.174 1.00 56.66 ? 390 ARG C CA 1 +ATOM 11780 C C . ARG C 3 372 ? 34.738 -43.838 -82.799 1.00 54.62 ? 390 ARG C C 1 +ATOM 11781 O O . ARG C 3 372 ? 33.931 -44.404 -82.048 1.00 49.68 ? 390 ARG C O 1 +ATOM 11782 C CB . ARG C 3 372 ? 34.918 -44.373 -85.174 1.00 51.55 ? 390 ARG C CB 1 +ATOM 11783 C CG . ARG C 3 372 ? 34.261 -44.473 -86.523 1.00 69.92 ? 390 ARG C CG 1 +ATOM 11784 C CD . ARG C 3 372 ? 34.674 -45.798 -87.204 1.00 69.28 ? 390 ARG C CD 1 +ATOM 11785 N NE . ARG C 3 372 ? 36.106 -45.891 -87.483 1.00 53.92 ? 390 ARG C NE 1 +ATOM 11786 C CZ . ARG C 3 372 ? 36.706 -45.272 -88.500 1.00 65.60 ? 390 ARG C CZ 1 +ATOM 11787 N NH1 . ARG C 3 372 ? 36.035 -44.481 -89.325 1.00 52.54 ? 390 ARG C NH1 1 +ATOM 11788 N NH2 . ARG C 3 372 ? 38.010 -45.452 -88.693 1.00 63.15 ? 390 ARG C NH2 1 +ATOM 11789 N N A ARG C 3 373 ? 36.032 -43.697 -82.501 0.50 52.33 ? 391 ARG C N 1 +ATOM 11790 N N B ARG C 3 373 ? 36.002 -43.622 -82.430 0.50 52.25 ? 391 ARG C N 1 +ATOM 11791 C CA A ARG C 3 373 ? 36.495 -44.164 -81.202 0.50 49.64 ? 391 ARG C CA 1 +ATOM 11792 C CA B ARG C 3 373 ? 36.455 -44.107 -81.131 0.50 49.80 ? 391 ARG C CA 1 +ATOM 11793 C C A ARG C 3 373 ? 35.763 -43.453 -80.063 0.50 58.58 ? 391 ARG C C 1 +ATOM 11794 C C B ARG C 3 373 ? 35.700 -43.422 -79.997 0.50 58.47 ? 391 ARG C C 1 +ATOM 11795 O O A ARG C 3 373 ? 35.375 -44.092 -79.076 0.50 50.55 ? 391 ARG C O 1 +ATOM 11796 O O B ARG C 3 373 ? 35.243 -44.085 -79.056 0.50 50.42 ? 391 ARG C O 1 +ATOM 11797 C CB A ARG C 3 373 ? 38.010 -43.968 -81.102 0.50 57.22 ? 391 ARG C CB 1 +ATOM 11798 C CB B ARG C 3 373 ? 37.963 -43.908 -80.982 0.50 57.24 ? 391 ARG C CB 1 +ATOM 11799 C CG A ARG C 3 373 ? 38.679 -44.658 -79.918 0.50 53.65 ? 391 ARG C CG 1 +ATOM 11800 C CG B ARG C 3 373 ? 38.775 -45.170 -81.247 0.50 66.28 ? 391 ARG C CG 1 +ATOM 11801 C CD A ARG C 3 373 ? 38.753 -46.171 -80.082 0.50 59.73 ? 391 ARG C CD 1 +ATOM 11802 C CD B ARG C 3 373 ? 38.334 -46.303 -80.343 0.50 61.60 ? 391 ARG C CD 1 +ATOM 11803 N NE A ARG C 3 373 ? 39.686 -46.594 -81.122 0.50 61.70 ? 391 ARG C NE 1 +ATOM 11804 N NE B ARG C 3 373 ? 38.804 -47.608 -80.797 0.50 70.23 ? 391 ARG C NE 1 +ATOM 11805 C CZ A ARG C 3 373 ? 41.008 -46.555 -81.004 0.50 78.87 ? 391 ARG C CZ 1 +ATOM 11806 C CZ B ARG C 3 373 ? 38.191 -48.349 -81.709 0.50 84.54 ? 391 ARG C CZ 1 +ATOM 11807 N NH1 A ARG C 3 373 ? 41.595 -46.058 -79.921 0.50 57.92 ? 391 ARG C NH1 1 +ATOM 11808 N NH1 B ARG C 3 373 ? 38.560 -49.598 -81.942 0.50 104.33 ? 391 ARG C NH1 1 +ATOM 11809 N NH2 A ARG C 3 373 ? 41.759 -47.015 -82.000 0.50 90.61 ? 391 ARG C NH2 1 +ATOM 11810 N NH2 B ARG C 3 373 ? 37.185 -47.820 -82.411 0.50 70.11 ? 391 ARG C NH2 1 +ATOM 11811 N N A ALA C 3 374 ? 35.535 -42.132 -80.178 0.40 50.73 ? 392 ALA C N 1 +ATOM 11812 N N B ALA C 3 374 ? 35.523 -42.097 -80.089 0.60 50.74 ? 392 ALA C N 1 +ATOM 11813 C CA A ALA C 3 374 ? 34.883 -41.392 -79.088 0.40 53.59 ? 392 ALA C CA 1 +ATOM 11814 C CA B ALA C 3 374 ? 34.858 -41.372 -79.011 0.60 53.70 ? 392 ALA C CA 1 +ATOM 11815 C C A ALA C 3 374 ? 33.418 -41.797 -78.909 0.40 52.35 ? 392 ALA C C 1 +ATOM 11816 C C B ALA C 3 374 ? 33.393 -41.781 -78.884 0.60 52.46 ? 392 ALA C C 1 +ATOM 11817 O O A ALA C 3 374 ? 32.929 -41.895 -77.773 0.40 50.47 ? 392 ALA C O 1 +ATOM 11818 O O B ALA C 3 374 ? 32.870 -41.881 -77.765 0.60 50.57 ? 392 ALA C O 1 +ATOM 11819 C CB A ALA C 3 374 ? 34.994 -39.884 -79.316 0.40 48.04 ? 392 ALA C CB 1 +ATOM 11820 C CB B ALA C 3 374 ? 34.987 -39.866 -79.229 0.60 47.96 ? 392 ALA C CB 1 +ATOM 11821 N N . ALA C 3 375 ? 32.715 -42.033 -80.011 1.00 50.21 ? 393 ALA C N 1 +ATOM 11822 C CA . ALA C 3 375 ? 31.324 -42.467 -79.936 1.00 44.75 ? 393 ALA C CA 1 +ATOM 11823 C C . ALA C 3 375 ? 31.233 -43.865 -79.338 1.00 52.37 ? 393 ALA C C 1 +ATOM 11824 O O . ALA C 3 375 ? 30.317 -44.162 -78.560 1.00 50.54 ? 393 ALA C O 1 +ATOM 11825 C CB . ALA C 3 375 ? 30.690 -42.429 -81.325 1.00 41.17 ? 393 ALA C CB 1 +ATOM 11826 N N A GLU C 3 376 ? 32.179 -44.735 -79.701 0.40 51.36 ? 394 GLU C N 1 +ATOM 11827 N N B GLU C 3 376 ? 32.185 -44.737 -79.669 0.60 51.44 ? 394 GLU C N 1 +ATOM 11828 C CA A GLU C 3 376 ? 32.206 -46.074 -79.127 0.40 49.67 ? 394 GLU C CA 1 +ATOM 11829 C CA B GLU C 3 376 ? 32.179 -46.078 -79.094 0.60 49.64 ? 394 GLU C CA 1 +ATOM 11830 C C A GLU C 3 376 ? 32.437 -46.017 -77.620 0.40 52.63 ? 394 GLU C C 1 +ATOM 11831 C C B GLU C 3 376 ? 32.407 -46.032 -77.586 0.60 52.73 ? 394 GLU C C 1 +ATOM 11832 O O A GLU C 3 376 ? 31.786 -46.738 -76.851 0.40 48.60 ? 394 GLU C O 1 +ATOM 11833 O O B GLU C 3 376 ? 31.739 -46.741 -76.820 0.60 48.47 ? 394 GLU C O 1 +ATOM 11834 C CB A GLU C 3 376 ? 33.284 -46.914 -79.825 0.40 48.69 ? 394 GLU C CB 1 +ATOM 11835 C CB B GLU C 3 376 ? 33.241 -46.941 -79.784 0.60 48.61 ? 394 GLU C CB 1 +ATOM 11836 C CG A GLU C 3 376 ? 33.574 -48.285 -79.210 0.40 49.99 ? 394 GLU C CG 1 +ATOM 11837 C CG B GLU C 3 376 ? 33.515 -48.296 -79.145 0.60 49.97 ? 394 GLU C CG 1 +ATOM 11838 C CD A GLU C 3 376 ? 32.434 -49.284 -79.388 0.40 54.42 ? 394 GLU C CD 1 +ATOM 11839 C CD B GLU C 3 376 ? 32.399 -49.309 -79.364 0.60 54.49 ? 394 GLU C CD 1 +ATOM 11840 O OE1 A GLU C 3 376 ? 31.425 -48.965 -80.056 0.40 50.02 ? 394 GLU C OE1 1 +ATOM 11841 O OE1 B GLU C 3 376 ? 31.387 -48.986 -80.030 0.60 49.99 ? 394 GLU C OE1 1 +ATOM 11842 O OE2 A GLU C 3 376 ? 32.553 -50.398 -78.840 0.40 53.12 ? 394 GLU C OE2 1 +ATOM 11843 O OE2 B GLU C 3 376 ? 32.545 -50.442 -78.865 0.60 53.26 ? 394 GLU C OE2 1 +ATOM 11844 N N A TYR C 3 377 ? 33.362 -45.169 -77.175 0.40 50.66 ? 395 TYR C N 1 +ATOM 11845 N N B TYR C 3 377 ? 33.350 -45.206 -77.140 0.60 50.85 ? 395 TYR C N 1 +ATOM 11846 C CA A TYR C 3 377 ? 33.694 -45.183 -75.751 0.40 52.13 ? 395 TYR C CA 1 +ATOM 11847 C CA B TYR C 3 377 ? 33.698 -45.198 -75.723 0.60 52.21 ? 395 TYR C CA 1 +ATOM 11848 C C A TYR C 3 377 ? 32.627 -44.464 -74.922 0.40 46.66 ? 395 TYR C C 1 +ATOM 11849 C C B TYR C 3 377 ? 32.639 -44.480 -74.898 0.60 46.54 ? 395 TYR C C 1 +ATOM 11850 O O A TYR C 3 377 ? 32.297 -44.894 -73.819 0.40 48.83 ? 395 TYR C O 1 +ATOM 11851 O O B TYR C 3 377 ? 32.313 -44.909 -73.791 0.60 49.00 ? 395 TYR C O 1 +ATOM 11852 C CB A TYR C 3 377 ? 35.078 -44.569 -75.537 0.40 48.70 ? 395 TYR C CB 1 +ATOM 11853 C CB B TYR C 3 377 ? 35.072 -44.562 -75.542 0.60 48.74 ? 395 TYR C CB 1 +ATOM 11854 C CG A TYR C 3 377 ? 36.208 -45.484 -75.967 0.40 48.71 ? 395 TYR C CG 1 +ATOM 11855 C CG B TYR C 3 377 ? 36.195 -45.479 -75.971 0.60 48.73 ? 395 TYR C CG 1 +ATOM 11856 C CD1 A TYR C 3 377 ? 35.969 -46.822 -76.258 0.40 45.16 ? 395 TYR C CD1 1 +ATOM 11857 C CD1 B TYR C 3 377 ? 35.950 -46.814 -76.280 0.60 44.99 ? 395 TYR C CD1 1 +ATOM 11858 C CD2 A TYR C 3 377 ? 37.513 -45.021 -76.049 0.40 50.04 ? 395 TYR C CD2 1 +ATOM 11859 C CD2 B TYR C 3 377 ? 37.497 -45.018 -76.038 0.60 50.07 ? 395 TYR C CD2 1 +ATOM 11860 C CE1 A TYR C 3 377 ? 36.999 -47.668 -76.633 0.40 49.70 ? 395 TYR C CE1 1 +ATOM 11861 C CE1 B TYR C 3 377 ? 36.978 -47.661 -76.646 0.60 49.70 ? 395 TYR C CE1 1 +ATOM 11862 C CE2 A TYR C 3 377 ? 38.547 -45.848 -76.428 0.40 51.63 ? 395 TYR C CE2 1 +ATOM 11863 C CE2 B TYR C 3 377 ? 38.524 -45.846 -76.407 0.60 51.61 ? 395 TYR C CE2 1 +ATOM 11864 C CZ A TYR C 3 377 ? 38.294 -47.177 -76.721 0.40 55.93 ? 395 TYR C CZ 1 +ATOM 11865 C CZ B TYR C 3 377 ? 38.266 -47.167 -76.713 0.60 56.07 ? 395 TYR C CZ 1 +ATOM 11866 O OH A TYR C 3 377 ? 39.333 -48.016 -77.093 0.40 53.66 ? 395 TYR C OH 1 +ATOM 11867 O OH B TYR C 3 377 ? 39.314 -47.983 -77.075 0.60 53.72 ? 395 TYR C OH 1 +ATOM 11868 N N A MET C 3 378 ? 32.050 -43.393 -75.459 0.40 49.54 ? 396 MET C N 1 +ATOM 11869 N N B MET C 3 378 ? 32.070 -43.408 -75.444 0.60 49.48 ? 396 MET C N 1 +ATOM 11870 C CA A MET C 3 378 ? 30.940 -42.728 -74.788 0.40 53.31 ? 396 MET C CA 1 +ATOM 11871 C CA B MET C 3 378 ? 30.964 -42.727 -74.784 0.60 53.39 ? 396 MET C CA 1 +ATOM 11872 C C A MET C 3 378 ? 29.756 -43.668 -74.549 0.40 50.48 ? 396 MET C C 1 +ATOM 11873 C C B MET C 3 378 ? 29.790 -43.673 -74.527 0.60 50.53 ? 396 MET C C 1 +ATOM 11874 O O A MET C 3 378 ? 29.050 -43.529 -73.544 0.40 51.06 ? 396 MET C O 1 +ATOM 11875 O O B MET C 3 378 ? 29.108 -43.563 -73.502 0.60 51.13 ? 396 MET C O 1 +ATOM 11876 C CB A MET C 3 378 ? 30.514 -41.526 -75.623 0.40 53.92 ? 396 MET C CB 1 +ATOM 11877 C CB B MET C 3 378 ? 30.522 -41.543 -75.642 0.60 53.97 ? 396 MET C CB 1 +ATOM 11878 C CG A MET C 3 378 ? 29.214 -40.947 -75.180 0.40 62.56 ? 396 MET C CG 1 +ATOM 11879 C CG B MET C 3 378 ? 29.291 -40.880 -75.117 0.60 63.08 ? 396 MET C CG 1 +ATOM 11880 S SD A MET C 3 378 ? 28.533 -39.822 -76.385 0.40 53.67 ? 396 MET C SD 1 +ATOM 11881 S SD B MET C 3 378 ? 28.476 -39.861 -76.336 0.60 53.94 ? 396 MET C SD 1 +ATOM 11882 C CE A MET C 3 378 ? 26.846 -39.803 -75.744 0.40 50.94 ? 396 MET C CE 1 +ATOM 11883 C CE B MET C 3 378 ? 26.837 -39.841 -75.576 0.60 50.28 ? 396 MET C CE 1 +ATOM 11884 N N A THR C 3 379 ? 29.516 -44.613 -75.457 0.40 46.81 ? 397 THR C N 1 +ATOM 11885 N N B THR C 3 379 ? 29.540 -44.604 -75.445 0.60 46.70 ? 397 THR C N 1 +ATOM 11886 C CA A THR C 3 379 ? 28.395 -45.540 -75.370 0.40 49.44 ? 397 THR C CA 1 +ATOM 11887 C CA B THR C 3 379 ? 28.412 -45.521 -75.342 0.60 49.36 ? 397 THR C CA 1 +ATOM 11888 C C A THR C 3 379 ? 28.775 -46.870 -74.735 0.40 50.84 ? 397 THR C C 1 +ATOM 11889 C C B THR C 3 379 ? 28.783 -46.848 -74.701 0.60 50.93 ? 397 THR C C 1 +ATOM 11890 O O A THR C 3 379 ? 27.939 -47.774 -74.664 0.40 49.29 ? 397 THR C O 1 +ATOM 11891 O O B THR C 3 379 ? 27.927 -47.732 -74.591 0.60 49.29 ? 397 THR C O 1 +ATOM 11892 C CB A THR C 3 379 ? 27.788 -45.773 -76.769 0.40 56.78 ? 397 THR C CB 1 +ATOM 11893 C CB B THR C 3 379 ? 27.795 -45.769 -76.727 0.60 56.96 ? 397 THR C CB 1 +ATOM 11894 O OG1 A THR C 3 379 ? 28.820 -46.147 -77.694 0.40 51.92 ? 397 THR C OG1 1 +ATOM 11895 O OG1 B THR C 3 379 ? 28.823 -46.098 -77.674 0.60 51.96 ? 397 THR C OG1 1 +ATOM 11896 C CG2 A THR C 3 379 ? 27.116 -44.486 -77.282 0.40 46.62 ? 397 THR C CG2 1 +ATOM 11897 C CG2 B THR C 3 379 ? 27.033 -44.513 -77.203 0.60 46.47 ? 397 THR C CG2 1 +ATOM 11898 N N A HIS C 3 380 ? 30.008 -47.010 -74.260 0.40 49.81 ? 398 HIS C N 1 +ATOM 11899 N N B HIS C 3 380 ? 30.028 -47.009 -74.275 0.60 49.88 ? 398 HIS C N 1 +ATOM 11900 C CA A HIS C 3 380 ? 30.390 -48.137 -73.424 0.40 43.99 ? 398 HIS C CA 1 +ATOM 11901 C CA B HIS C 3 380 ? 30.434 -48.138 -73.455 0.60 43.81 ? 398 HIS C CA 1 +ATOM 11902 C C A HIS C 3 380 ? 31.052 -47.634 -72.152 0.40 53.84 ? 398 HIS C C 1 +ATOM 11903 C C B HIS C 3 380 ? 31.091 -47.642 -72.176 0.60 54.03 ? 398 HIS C C 1 +ATOM 11904 O O A HIS C 3 380 ? 32.013 -48.227 -71.643 0.40 53.80 ? 398 HIS C O 1 +ATOM 11905 O O B HIS C 3 380 ? 32.060 -48.223 -71.681 0.60 54.10 ? 398 HIS C O 1 +ATOM 11906 C CB A HIS C 3 380 ? 31.298 -49.110 -74.174 0.40 45.32 ? 398 HIS C CB 1 +ATOM 11907 C CB B HIS C 3 380 ? 31.348 -49.081 -74.228 0.60 45.24 ? 398 HIS C CB 1 +ATOM 11908 C CG A HIS C 3 380 ? 30.650 -49.736 -75.372 0.40 52.61 ? 398 HIS C CG 1 +ATOM 11909 C CG B HIS C 3 380 ? 30.670 -49.754 -75.381 0.60 52.74 ? 398 HIS C CG 1 +ATOM 11910 N ND1 A HIS C 3 380 ? 30.434 -49.046 -76.549 0.40 50.40 ? 398 HIS C ND1 1 +ATOM 11911 N ND1 B HIS C 3 380 ? 30.493 -49.139 -76.605 0.60 50.56 ? 398 HIS C ND1 1 +ATOM 11912 C CD2 A HIS C 3 380 ? 30.158 -50.984 -75.571 0.40 49.19 ? 398 HIS C CD2 1 +ATOM 11913 C CD2 B HIS C 3 380 ? 30.107 -50.981 -75.492 0.60 48.98 ? 398 HIS C CD2 1 +ATOM 11914 C CE1 A HIS C 3 380 ? 29.847 -49.843 -77.425 0.40 49.62 ? 398 HIS C CE1 1 +ATOM 11915 C CE1 B HIS C 3 380 ? 29.860 -49.961 -77.423 0.60 49.55 ? 398 HIS C CE1 1 +ATOM 11916 N NE2 A HIS C 3 380 ? 29.672 -51.024 -76.859 0.40 52.40 ? 398 HIS C NE2 1 +ATOM 11917 N NE2 B HIS C 3 380 ? 29.625 -51.089 -76.777 0.60 52.69 ? 398 HIS C NE2 1 +ATOM 11918 N N A ALA C 3 381 ? 30.529 -46.532 -71.615 0.40 47.07 ? 399 ALA C N 1 +ATOM 11919 N N B ALA C 3 381 ? 30.549 -46.554 -71.630 0.60 46.99 ? 399 ALA C N 1 +ATOM 11920 C CA A ALA C 3 381 ? 30.981 -46.059 -70.315 0.40 50.96 ? 399 ALA C CA 1 +ATOM 11921 C CA B ALA C 3 381 ? 30.988 -46.074 -70.327 0.60 51.03 ? 399 ALA C CA 1 +ATOM 11922 C C A ALA C 3 381 ? 30.796 -47.158 -69.272 0.40 50.23 ? 399 ALA C C 1 +ATOM 11923 C C B ALA C 3 381 ? 30.829 -47.173 -69.285 0.60 50.27 ? 399 ALA C C 1 +ATOM 11924 O O A ALA C 3 381 ? 29.809 -47.908 -69.327 0.40 47.67 ? 399 ALA C O 1 +ATOM 11925 O O B ALA C 3 381 ? 29.854 -47.937 -69.331 0.60 47.64 ? 399 ALA C O 1 +ATOM 11926 C CB A ALA C 3 381 ? 30.206 -44.808 -69.890 0.40 48.55 ? 399 ALA C CB 1 +ATOM 11927 C CB B ALA C 3 381 ? 30.192 -44.837 -69.903 0.60 48.57 ? 399 ALA C CB 1 +ATOM 11928 N N A PRO C 3 382 ? 31.715 -47.285 -68.309 0.40 48.37 ? 400 PRO C N 1 +ATOM 11929 N N B PRO C 3 382 ? 31.759 -47.283 -68.330 0.60 48.44 ? 400 PRO C N 1 +ATOM 11930 C CA A PRO C 3 382 ? 31.571 -48.343 -67.296 0.40 47.18 ? 400 PRO C CA 1 +ATOM 11931 C CA B PRO C 3 382 ? 31.626 -48.351 -67.317 0.60 47.14 ? 400 PRO C CA 1 +ATOM 11932 C C A PRO C 3 382 ? 30.499 -48.020 -66.277 0.40 47.10 ? 400 PRO C C 1 +ATOM 11933 C C B PRO C 3 382 ? 30.571 -48.023 -66.274 0.60 47.13 ? 400 PRO C C 1 +ATOM 11934 O O A PRO C 3 382 ? 30.809 -47.768 -65.116 0.40 45.54 ? 400 PRO C O 1 +ATOM 11935 O O B PRO C 3 382 ? 30.882 -47.742 -65.117 0.60 45.42 ? 400 PRO C O 1 +ATOM 11936 C CB A PRO C 3 382 ? 32.954 -48.408 -66.638 0.40 43.42 ? 400 PRO C CB 1 +ATOM 11937 C CB B PRO C 3 382 ? 33.032 -48.420 -66.710 0.60 43.41 ? 400 PRO C CB 1 +ATOM 11938 C CG A PRO C 3 382 ? 33.506 -47.014 -66.806 0.40 46.84 ? 400 PRO C CG 1 +ATOM 11939 C CG B PRO C 3 382 ? 33.592 -47.041 -66.896 0.60 46.85 ? 400 PRO C CG 1 +ATOM 11940 C CD A PRO C 3 382 ? 32.921 -46.460 -68.098 0.40 45.68 ? 400 PRO C CD 1 +ATOM 11941 C CD B PRO C 3 382 ? 32.985 -46.489 -68.165 0.60 45.71 ? 400 PRO C CD 1 +ATOM 11942 N N A LEU C 3 383 ? 29.240 -48.023 -66.708 0.40 47.90 ? 401 LEU C N 1 +ATOM 11943 N N B LEU C 3 383 ? 29.310 -48.035 -66.699 0.60 47.91 ? 401 LEU C N 1 +ATOM 11944 C CA A LEU C 3 383 ? 28.078 -47.885 -65.843 0.40 49.06 ? 401 LEU C CA 1 +ATOM 11945 C CA B LEU C 3 383 ? 28.161 -47.914 -65.814 0.60 49.08 ? 401 LEU C CA 1 +ATOM 11946 C C A LEU C 3 383 ? 27.093 -48.989 -66.188 0.40 48.16 ? 401 LEU C C 1 +ATOM 11947 C C B LEU C 3 383 ? 27.180 -49.020 -66.160 0.60 48.14 ? 401 LEU C C 1 +ATOM 11948 O O A LEU C 3 383 ? 26.858 -49.264 -67.364 0.40 50.45 ? 401 LEU C O 1 +ATOM 11949 O O B LEU C 3 383 ? 27.016 -49.363 -67.332 0.60 50.31 ? 401 LEU C O 1 +ATOM 11950 C CB A LEU C 3 383 ? 27.398 -46.530 -66.013 0.40 49.76 ? 401 LEU C CB 1 +ATOM 11951 C CB B LEU C 3 383 ? 27.466 -46.553 -65.944 0.60 49.69 ? 401 LEU C CB 1 +ATOM 11952 C CG A LEU C 3 383 ? 28.052 -45.241 -65.501 0.40 54.20 ? 401 LEU C CG 1 +ATOM 11953 C CG B LEU C 3 383 ? 28.142 -45.271 -65.448 0.60 54.29 ? 401 LEU C CG 1 +ATOM 11954 C CD1 A LEU C 3 383 ? 29.168 -44.783 -66.427 0.40 55.21 ? 401 LEU C CD1 1 +ATOM 11955 C CD1 B LEU C 3 383 ? 29.183 -44.798 -66.439 0.60 55.35 ? 401 LEU C CD1 1 +ATOM 11956 C CD2 A LEU C 3 383 ? 26.988 -44.162 -65.404 0.40 54.13 ? 401 LEU C CD2 1 +ATOM 11957 C CD2 B LEU C 3 383 ? 27.110 -44.175 -65.223 0.60 54.44 ? 401 LEU C CD2 1 +ATOM 11958 N N A GLY C 3 384 ? 26.502 -49.598 -65.171 0.40 48.11 ? 402 GLY C N 1 +ATOM 11959 N N B GLY C 3 384 ? 26.536 -49.585 -65.145 0.60 48.07 ? 402 GLY C N 1 +ATOM 11960 C CA A GLY C 3 384 ? 25.559 -50.679 -65.409 0.40 48.64 ? 402 GLY C CA 1 +ATOM 11961 C CA B GLY C 3 384 ? 25.628 -50.692 -65.392 0.60 48.61 ? 402 GLY C CA 1 +ATOM 11962 C C A GLY C 3 384 ? 25.091 -51.283 -64.099 0.40 49.89 ? 402 GLY C C 1 +ATOM 11963 C C B GLY C 3 384 ? 25.089 -51.307 -64.116 0.60 50.00 ? 402 GLY C C 1 +ATOM 11964 O O A GLY C 3 384 ? 25.724 -51.123 -63.055 0.40 52.78 ? 402 GLY C O 1 +ATOM 11965 O O B GLY C 3 384 ? 25.709 -51.192 -63.056 0.60 53.03 ? 402 GLY C O 1 +ATOM 11966 N N A SER C 3 385 ? 23.969 -51.991 -64.176 0.40 46.10 ? 403 SER C N 1 +ATOM 11967 N N B SER C 3 385 ? 23.935 -51.962 -64.206 0.60 46.09 ? 403 SER C N 1 +ATOM 11968 C CA A SER C 3 385 ? 23.353 -52.593 -63.006 0.40 44.40 ? 403 SER C CA 1 +ATOM 11969 C CA B SER C 3 385 ? 23.304 -52.567 -63.048 0.60 44.37 ? 403 SER C CA 1 +ATOM 11970 C C A SER C 3 385 ? 23.940 -53.967 -62.717 0.40 45.23 ? 403 SER C C 1 +ATOM 11971 C C B SER C 3 385 ? 23.924 -53.927 -62.736 0.60 45.17 ? 403 SER C C 1 +ATOM 11972 O O A SER C 3 385 ? 24.616 -54.582 -63.546 0.40 45.04 ? 403 SER C O 1 +ATOM 11973 O O B SER C 3 385 ? 24.683 -54.495 -63.526 0.60 44.98 ? 403 SER C O 1 +ATOM 11974 C CB A SER C 3 385 ? 21.848 -52.712 -63.209 0.40 49.80 ? 403 SER C CB 1 +ATOM 11975 C CB B SER C 3 385 ? 21.810 -52.736 -63.281 0.60 50.08 ? 403 SER C CB 1 +ATOM 11976 O OG A SER C 3 385 ? 21.586 -53.678 -64.212 0.40 48.86 ? 403 SER C OG 1 +ATOM 11977 O OG B SER C 3 385 ? 21.591 -53.794 -64.196 0.60 48.96 ? 403 SER C OG 1 +ATOM 11978 N N A LEU C 3 386 ? 23.629 -54.457 -61.514 0.40 44.27 ? 404 LEU C N 1 +ATOM 11979 N N B LEU C 3 386 ? 23.570 -54.448 -61.551 0.60 44.23 ? 404 LEU C N 1 +ATOM 11980 C CA A LEU C 3 386 ? 24.117 -55.753 -61.054 0.40 45.98 ? 404 LEU C CA 1 +ATOM 11981 C CA B LEU C 3 386 ? 24.099 -55.725 -61.083 0.60 45.85 ? 404 LEU C CA 1 +ATOM 11982 C C A LEU C 3 386 ? 23.597 -56.908 -61.918 0.40 54.00 ? 404 LEU C C 1 +ATOM 11983 C C B LEU C 3 386 ? 23.604 -56.893 -61.940 0.60 54.20 ? 404 LEU C C 1 +ATOM 11984 O O A LEU C 3 386 ? 24.304 -57.913 -62.095 0.40 51.12 ? 404 LEU C O 1 +ATOM 11985 O O B LEU C 3 386 ? 24.309 -57.902 -62.077 0.60 51.19 ? 404 LEU C O 1 +ATOM 11986 C CB A LEU C 3 386 ? 23.734 -55.947 -59.581 0.40 46.09 ? 404 LEU C CB 1 +ATOM 11987 C CB B LEU C 3 386 ? 23.725 -55.925 -59.607 0.60 46.03 ? 404 LEU C CB 1 +ATOM 11988 C CG A LEU C 3 386 ? 24.321 -57.146 -58.837 0.40 62.83 ? 404 LEU C CG 1 +ATOM 11989 C CG B LEU C 3 386 ? 24.245 -57.144 -58.845 0.60 62.97 ? 404 LEU C CG 1 +ATOM 11990 C CD1 A LEU C 3 386 ? 25.836 -57.246 -59.009 0.40 60.53 ? 404 LEU C CD1 1 +ATOM 11991 C CD1 B LEU C 3 386 ? 25.752 -57.324 -59.016 0.60 60.67 ? 404 LEU C CD1 1 +ATOM 11992 C CD2 A LEU C 3 386 ? 23.950 -57.050 -57.365 0.40 62.52 ? 404 LEU C CD2 1 +ATOM 11993 C CD2 B LEU C 3 386 ? 23.888 -57.005 -57.369 0.60 62.62 ? 404 LEU C CD2 1 +ATOM 11994 N N A ASN C 3 387 ? 22.385 -56.781 -62.484 0.40 47.71 ? 405 ASN C N 1 +ATOM 11995 N N B ASN C 3 387 ? 22.403 -56.781 -62.517 0.60 47.76 ? 405 ASN C N 1 +ATOM 11996 C CA A ASN C 3 387 ? 21.880 -57.753 -63.448 0.40 44.90 ? 405 ASN C CA 1 +ATOM 11997 C CA B ASN C 3 387 ? 21.897 -57.761 -63.463 0.60 44.83 ? 405 ASN C CA 1 +ATOM 11998 C C A ASN C 3 387 ? 22.311 -57.445 -64.875 0.40 49.27 ? 405 ASN C C 1 +ATOM 11999 C C B ASN C 3 387 ? 22.302 -57.432 -64.891 0.60 49.37 ? 405 ASN C C 1 +ATOM 12000 O O A ASN C 3 387 ? 21.721 -57.986 -65.820 0.40 47.78 ? 405 ASN C O 1 +ATOM 12001 O O B ASN C 3 387 ? 21.690 -57.940 -65.840 0.60 47.83 ? 405 ASN C O 1 +ATOM 12002 C CB A ASN C 3 387 ? 20.349 -57.882 -63.366 0.40 43.50 ? 405 ASN C CB 1 +ATOM 12003 C CB B ASN C 3 387 ? 20.372 -57.899 -63.347 0.60 43.44 ? 405 ASN C CB 1 +ATOM 12004 C CG A ASN C 3 387 ? 19.609 -56.564 -63.531 0.40 47.19 ? 405 ASN C CG 1 +ATOM 12005 C CG B ASN C 3 387 ? 19.633 -56.587 -63.516 0.60 47.26 ? 405 ASN C CG 1 +ATOM 12006 O OD1 A ASN C 3 387 ? 20.044 -55.515 -63.055 0.40 45.42 ? 405 ASN C OD1 1 +ATOM 12007 O OD1 B ASN C 3 387 ? 20.081 -55.534 -63.060 0.60 45.49 ? 405 ASN C OD1 1 +ATOM 12008 N ND2 A ASN C 3 387 ? 18.460 -56.625 -64.184 0.40 43.73 ? 405 ASN C ND2 1 +ATOM 12009 N ND2 B ASN C 3 387 ? 18.474 -56.651 -64.154 0.60 43.70 ? 405 ASN C ND2 1 +ATOM 12010 N N . SER C 3 388 ? 23.312 -56.573 -65.050 1.00 48.96 ? 406 SER C N 1 +ATOM 12011 C CA . SER C 3 388 ? 23.969 -56.308 -66.343 1.00 41.38 ? 406 SER C CA 1 +ATOM 12012 C C . SER C 3 388 ? 23.051 -55.621 -67.360 1.00 55.42 ? 406 SER C C 1 +ATOM 12013 O O . SER C 3 388 ? 23.044 -55.959 -68.553 1.00 48.83 ? 406 SER C O 1 +ATOM 12014 C CB . SER C 3 388 ? 24.600 -57.580 -66.921 1.00 47.70 ? 406 SER C CB 1 +ATOM 12015 O OG . SER C 3 388 ? 25.728 -57.974 -66.158 1.00 48.46 ? 406 SER C OG 1 +ATOM 12016 N N A VAL C 3 389 ? 22.282 -54.643 -66.891 0.40 47.55 ? 407 VAL C N 1 +ATOM 12017 N N B VAL C 3 389 ? 22.272 -54.654 -66.883 0.60 47.53 ? 407 VAL C N 1 +ATOM 12018 C CA A VAL C 3 389 ? 21.643 -53.657 -67.757 0.40 49.11 ? 407 VAL C CA 1 +ATOM 12019 C CA B VAL C 3 389 ? 21.648 -53.655 -67.742 0.60 49.15 ? 407 VAL C CA 1 +ATOM 12020 C C A VAL C 3 389 ? 22.621 -52.495 -67.901 0.40 49.85 ? 407 VAL C C 1 +ATOM 12021 C C B VAL C 3 389 ? 22.632 -52.495 -67.859 0.60 49.90 ? 407 VAL C C 1 +ATOM 12022 O O A VAL C 3 389 ? 22.925 -51.808 -66.918 0.40 50.54 ? 407 VAL C O 1 +ATOM 12023 O O B VAL C 3 389 ? 22.945 -51.835 -66.861 0.60 50.60 ? 407 VAL C O 1 +ATOM 12024 C CB A VAL C 3 389 ? 20.296 -53.189 -67.176 0.40 48.87 ? 407 VAL C CB 1 +ATOM 12025 C CB B VAL C 3 389 ? 20.301 -53.189 -67.169 0.60 48.94 ? 407 VAL C CB 1 +ATOM 12026 C CG1 A VAL C 3 389 ? 19.660 -52.137 -68.070 0.40 44.73 ? 407 VAL C CG1 1 +ATOM 12027 C CG1 B VAL C 3 389 ? 19.616 -52.216 -68.114 0.60 44.76 ? 407 VAL C CG1 1 +ATOM 12028 C CG2 A VAL C 3 389 ? 19.361 -54.389 -66.944 0.40 43.82 ? 407 VAL C CG2 1 +ATOM 12029 C CG2 B VAL C 3 389 ? 19.406 -54.387 -66.857 0.60 43.71 ? 407 VAL C CG2 1 +ATOM 12030 N N A GLY C 3 390 ? 23.115 -52.273 -69.122 0.40 46.06 ? 408 GLY C N 1 +ATOM 12031 N N B GLY C 3 390 ? 23.133 -52.246 -69.072 0.60 46.10 ? 408 GLY C N 1 +ATOM 12032 C CA A GLY C 3 390 ? 24.086 -51.221 -69.337 0.40 43.73 ? 408 GLY C CA 1 +ATOM 12033 C CA B GLY C 3 390 ? 24.128 -51.201 -69.253 0.60 43.50 ? 408 GLY C CA 1 +ATOM 12034 C C A GLY C 3 390 ? 23.443 -49.849 -69.311 0.40 51.02 ? 408 GLY C C 1 +ATOM 12035 C C B GLY C 3 390 ? 23.523 -49.808 -69.184 0.60 50.78 ? 408 GLY C C 1 +ATOM 12036 O O A GLY C 3 390 ? 22.302 -49.664 -69.733 0.40 54.46 ? 408 GLY C O 1 +ATOM 12037 O O B GLY C 3 390 ? 22.377 -49.579 -69.575 0.60 54.64 ? 408 GLY C O 1 +ATOM 12038 N N A GLY C 3 391 ? 24.181 -48.881 -68.782 0.40 49.81 ? 409 GLY C N 1 +ATOM 12039 N N B GLY C 3 391 ? 24.306 -48.865 -68.677 0.60 49.39 ? 409 GLY C N 1 +ATOM 12040 C CA A GLY C 3 391 ? 23.752 -47.496 -68.797 0.40 57.86 ? 409 GLY C CA 1 +ATOM 12041 C CA B GLY C 3 391 ? 23.928 -47.462 -68.695 0.60 58.36 ? 409 GLY C CA 1 +ATOM 12042 C C A GLY C 3 391 ? 23.589 -46.928 -67.396 0.40 54.16 ? 409 GLY C C 1 +ATOM 12043 C C B GLY C 3 391 ? 23.707 -46.895 -67.303 0.60 54.34 ? 409 GLY C C 1 +ATOM 12044 O O A GLY C 3 391 ? 23.912 -47.566 -66.387 0.40 54.75 ? 409 GLY C O 1 +ATOM 12045 O O B GLY C 3 391 ? 24.009 -47.523 -66.283 0.60 54.99 ? 409 GLY C O 1 +ATOM 12046 N N A VAL C 3 392 ? 23.067 -45.694 -67.345 0.40 49.04 ? 410 VAL C N 1 +ATOM 12047 N N B VAL C 3 392 ? 23.179 -45.659 -67.274 0.60 48.90 ? 410 VAL C N 1 +ATOM 12048 C CA A VAL C 3 392 ? 22.803 -45.063 -66.057 0.40 52.26 ? 410 VAL C CA 1 +ATOM 12049 C CA B VAL C 3 392 ? 22.874 -45.039 -65.983 0.60 52.14 ? 410 VAL C CA 1 +ATOM 12050 C C A VAL C 3 392 ? 21.697 -45.827 -65.329 0.40 46.85 ? 410 VAL C C 1 +ATOM 12051 C C B VAL C 3 392 ? 21.769 -45.833 -65.288 0.60 46.74 ? 410 VAL C C 1 +ATOM 12052 O O A VAL C 3 392 ? 20.981 -46.644 -65.911 0.40 50.99 ? 410 VAL C O 1 +ATOM 12053 O O B VAL C 3 392 ? 21.085 -46.658 -65.895 0.60 51.06 ? 410 VAL C O 1 +ATOM 12054 C CB A VAL C 3 392 ? 22.446 -43.572 -66.238 0.40 57.34 ? 410 VAL C CB 1 +ATOM 12055 C CB B VAL C 3 392 ? 22.502 -43.547 -66.137 0.60 57.50 ? 410 VAL C CB 1 +ATOM 12056 C CG1 A VAL C 3 392 ? 23.604 -42.831 -66.899 0.40 54.93 ? 410 VAL C CG1 1 +ATOM 12057 C CG1 B VAL C 3 392 ? 23.643 -42.767 -66.790 0.60 55.01 ? 410 VAL C CG1 1 +ATOM 12058 C CG2 A VAL C 3 392 ? 21.185 -43.393 -67.078 0.40 51.19 ? 410 VAL C CG2 1 +ATOM 12059 C CG2 B VAL C 3 392 ? 21.209 -43.349 -66.938 0.60 50.96 ? 410 VAL C CG2 1 +ATOM 12060 N N A ALA C 3 393 ? 21.573 -45.568 -64.025 0.40 48.16 ? 411 ALA C N 1 +ATOM 12061 N N B ALA C 3 393 ? 21.616 -45.592 -63.985 0.60 48.10 ? 411 ALA C N 1 +ATOM 12062 C CA A ALA C 3 393 ? 20.653 -46.349 -63.198 0.40 49.34 ? 411 ALA C CA 1 +ATOM 12063 C CA B ALA C 3 393 ? 20.653 -46.344 -63.187 0.60 49.40 ? 411 ALA C CA 1 +ATOM 12064 C C A ALA C 3 393 ? 19.189 -46.179 -63.611 0.40 50.25 ? 411 ALA C C 1 +ATOM 12065 C C B ALA C 3 393 ? 19.219 -46.180 -63.683 0.60 50.39 ? 411 ALA C C 1 +ATOM 12066 O O A ALA C 3 393 ? 18.362 -47.039 -63.299 0.40 47.40 ? 411 ALA C O 1 +ATOM 12067 O O B ALA C 3 393 ? 18.374 -47.040 -63.414 0.60 47.36 ? 411 ALA C O 1 +ATOM 12068 C CB A ALA C 3 393 ? 20.848 -45.994 -61.718 0.40 43.23 ? 411 ALA C CB 1 +ATOM 12069 C CB B ALA C 3 393 ? 20.757 -45.929 -61.714 0.60 43.24 ? 411 ALA C CB 1 +ATOM 12070 N N A THR C 3 394 ? 18.856 -45.127 -64.345 0.40 50.06 ? 412 THR C N 1 +ATOM 12071 N N B THR C 3 394 ? 18.924 -45.114 -64.418 0.60 50.19 ? 412 THR C N 1 +ATOM 12072 C CA A THR C 3 394 ? 17.487 -44.887 -64.782 0.40 44.94 ? 412 THR C CA 1 +ATOM 12073 C CA B THR C 3 394 ? 17.568 -44.831 -64.859 0.60 44.88 ? 412 THR C CA 1 +ATOM 12074 C C A THR C 3 394 ? 17.214 -45.416 -66.185 0.40 49.88 ? 412 THR C C 1 +ATOM 12075 C C B THR C 3 394 ? 17.282 -45.359 -66.254 0.60 49.96 ? 412 THR C C 1 +ATOM 12076 O O A THR C 3 394 ? 16.104 -45.240 -66.699 0.40 48.81 ? 412 THR C O 1 +ATOM 12077 O O B THR C 3 394 ? 16.170 -45.176 -66.756 0.60 48.80 ? 412 THR C O 1 +ATOM 12078 C CB A THR C 3 394 ? 17.190 -43.396 -64.731 0.40 45.55 ? 412 THR C CB 1 +ATOM 12079 C CB B THR C 3 394 ? 17.312 -43.327 -64.804 0.60 45.67 ? 412 THR C CB 1 +ATOM 12080 O OG1 A THR C 3 394 ? 18.174 -42.727 -65.518 0.40 45.03 ? 412 THR C OG1 1 +ATOM 12081 O OG1 B THR C 3 394 ? 18.315 -42.654 -65.576 0.60 44.63 ? 412 THR C OG1 1 +ATOM 12082 C CG2 A THR C 3 394 ? 17.279 -42.893 -63.280 0.40 43.46 ? 412 THR C CG2 1 +ATOM 12083 C CG2 B THR C 3 394 ? 17.378 -42.845 -63.362 0.60 43.43 ? 412 THR C CG2 1 +ATOM 12084 N N A GLU C 3 395 ? 18.196 -46.058 -66.809 0.40 47.03 ? 413 GLU C N 1 +ATOM 12085 N N B GLU C 3 395 ? 18.251 -46.017 -66.880 0.60 47.11 ? 413 GLU C N 1 +ATOM 12086 C CA A GLU C 3 395 ? 18.040 -46.542 -68.172 0.40 51.41 ? 413 GLU C CA 1 +ATOM 12087 C CA B GLU C 3 395 ? 18.076 -46.545 -68.229 0.60 51.42 ? 413 GLU C CA 1 +ATOM 12088 C C A GLU C 3 395 ? 17.124 -47.767 -68.208 0.40 48.30 ? 413 GLU C C 1 +ATOM 12089 C C B GLU C 3 395 ? 17.135 -47.749 -68.229 0.60 48.32 ? 413 GLU C C 1 +ATOM 12090 O O A GLU C 3 395 ? 16.999 -48.508 -67.229 0.40 45.55 ? 413 GLU C O 1 +ATOM 12091 O O B GLU C 3 395 ? 17.012 -48.476 -67.239 0.60 45.43 ? 413 GLU C O 1 +ATOM 12092 C CB A GLU C 3 395 ? 19.414 -46.874 -68.766 0.40 52.65 ? 413 GLU C CB 1 +ATOM 12093 C CB B GLU C 3 395 ? 19.433 -46.942 -68.814 0.60 52.67 ? 413 GLU C CB 1 +ATOM 12094 C CG A GLU C 3 395 ? 19.410 -47.267 -70.220 0.40 61.27 ? 413 GLU C CG 1 +ATOM 12095 C CG B GLU C 3 395 ? 19.433 -47.266 -70.294 0.60 61.48 ? 413 GLU C CG 1 +ATOM 12096 C CD A GLU C 3 395 ? 18.925 -46.146 -71.138 0.40 59.93 ? 413 GLU C CD 1 +ATOM 12097 C CD B GLU C 3 395 ? 19.011 -46.087 -71.156 0.60 60.12 ? 413 GLU C CD 1 +ATOM 12098 O OE1 A GLU C 3 395 ? 17.693 -45.954 -71.286 0.40 49.71 ? 413 GLU C OE1 1 +ATOM 12099 O OE1 B GLU C 3 395 ? 17.791 -45.855 -71.311 0.60 49.75 ? 413 GLU C OE1 1 +ATOM 12100 O OE2 A GLU C 3 395 ? 19.792 -45.462 -71.713 0.40 55.61 ? 413 GLU C OE2 1 +ATOM 12101 O OE2 B GLU C 3 395 ? 19.909 -45.395 -71.674 0.60 55.81 ? 413 GLU C OE2 1 +ATOM 12102 N N A ILE C 3 396 ? 16.450 -47.949 -69.350 0.40 50.85 ? 414 ILE C N 1 +ATOM 12103 N N B ILE C 3 396 ? 16.460 -47.948 -69.362 0.60 50.96 ? 414 ILE C N 1 +ATOM 12104 C CA A ILE C 3 396 ? 15.567 -49.094 -69.552 0.40 52.60 ? 414 ILE C CA 1 +ATOM 12105 C CA B ILE C 3 396 ? 15.580 -49.094 -69.539 0.60 52.69 ? 414 ILE C CA 1 +ATOM 12106 C C A ILE C 3 396 ? 16.379 -50.320 -69.959 0.40 49.84 ? 414 ILE C C 1 +ATOM 12107 C C B ILE C 3 396 ? 16.387 -50.320 -69.951 0.60 49.87 ? 414 ILE C C 1 +ATOM 12108 O O A ILE C 3 396 ? 17.509 -50.228 -70.449 0.40 51.73 ? 414 ILE C O 1 +ATOM 12109 O O B ILE C 3 396 ? 17.527 -50.236 -70.414 0.60 51.87 ? 414 ILE C O 1 +ATOM 12110 C CB A ILE C 3 396 ? 14.481 -48.787 -70.601 0.40 54.12 ? 414 ILE C CB 1 +ATOM 12111 C CB B ILE C 3 396 ? 14.478 -48.792 -70.568 0.60 54.23 ? 414 ILE C CB 1 +ATOM 12112 C CG1 A ILE C 3 396 ? 15.128 -48.400 -71.934 0.40 48.01 ? 414 ILE C CG1 1 +ATOM 12113 C CG1 B ILE C 3 396 ? 15.107 -48.416 -71.918 0.60 47.92 ? 414 ILE C CG1 1 +ATOM 12114 C CG2 A ILE C 3 396 ? 13.522 -47.715 -70.073 0.40 49.55 ? 414 ILE C CG2 1 +ATOM 12115 C CG2 B ILE C 3 396 ? 13.541 -47.724 -70.033 0.60 49.54 ? 414 ILE C CG2 1 +ATOM 12116 C CD1 A ILE C 3 396 ? 14.164 -48.371 -73.114 0.40 52.51 ? 414 ILE C CD1 1 +ATOM 12117 C CD1 B ILE C 3 396 ? 14.128 -48.407 -73.071 0.60 52.58 ? 414 ILE C CD1 1 +ATOM 12118 N N . ASN C 3 397 ? 15.766 -51.481 -69.788 1.00 51.14 ? 415 ASN C N 1 +ATOM 12119 C CA . ASN C 3 397 ? 16.342 -52.714 -70.303 1.00 47.59 ? 415 ASN C CA 1 +ATOM 12120 C C . ASN C 3 397 ? 16.490 -52.644 -71.813 1.00 53.88 ? 415 ASN C C 1 +ATOM 12121 O O . ASN C 3 397 ? 15.629 -52.083 -72.497 1.00 47.01 ? 415 ASN C O 1 +ATOM 12122 C CB . ASN C 3 397 ? 15.445 -53.884 -69.920 1.00 47.97 ? 415 ASN C CB 1 +ATOM 12123 C CG . ASN C 3 397 ? 15.764 -54.420 -68.562 1.00 49.60 ? 415 ASN C CG 1 +ATOM 12124 O OD1 . ASN C 3 397 ? 16.653 -55.260 -68.415 1.00 51.12 ? 415 ASN C OD1 1 +ATOM 12125 N ND2 . ASN C 3 397 ? 15.057 -53.935 -67.547 1.00 49.20 ? 415 ASN C ND2 1 +ATOM 12126 N N . SER C 3 398 ? 17.608 -53.200 -72.324 1.00 47.18 ? 416 SER C N 1 +ATOM 12127 C CA . SER C 3 398 ? 17.884 -53.425 -73.748 1.00 52.05 ? 416 SER C CA 1 +ATOM 12128 C C . SER C 3 398 ? 19.328 -53.854 -73.940 1.00 54.59 ? 416 SER C C 1 +ATOM 12129 O O . SER C 3 398 ? 19.619 -54.754 -74.729 1.00 54.63 ? 416 SER C O 1 +ATOM 12130 C CB . SER C 3 398 ? 17.657 -52.182 -74.627 1.00 56.30 ? 416 SER C CB 1 +ATOM 12131 O OG . SER C 3 398 ? 16.286 -51.910 -74.822 1.00 58.94 ? 416 SER C OG 1 +ATOM 12132 N N . VAL C 3 399 ? 20.253 -53.185 -73.270 1.00 47.10 ? 417 VAL C N 1 +ATOM 12133 C CA . VAL C 3 399 ? 21.670 -53.416 -73.496 1.00 48.65 ? 417 VAL C CA 1 +ATOM 12134 C C . VAL C 3 399 ? 22.204 -54.238 -72.342 1.00 54.21 ? 417 VAL C C 1 +ATOM 12135 O O . VAL C 3 399 ? 22.151 -53.819 -71.177 1.00 53.74 ? 417 VAL C O 1 +ATOM 12136 C CB . VAL C 3 399 ? 22.448 -52.103 -73.646 1.00 56.02 ? 417 VAL C CB 1 +ATOM 12137 C CG1 . VAL C 3 399 ? 23.940 -52.410 -73.859 1.00 51.38 ? 417 VAL C CG1 1 +ATOM 12138 C CG2 . VAL C 3 399 ? 21.861 -51.275 -74.784 1.00 47.98 ? 417 VAL C CG2 1 +ATOM 12139 N N . ASN C 3 400 ? 22.724 -55.397 -72.672 1.00 49.54 ? 418 ASN C N 1 +ATOM 12140 C CA . ASN C 3 400 ? 23.255 -56.339 -71.698 1.00 51.10 ? 418 ASN C CA 1 +ATOM 12141 C C . ASN C 3 400 ? 24.744 -56.022 -71.607 1.00 52.85 ? 418 ASN C C 1 +ATOM 12142 O O . ASN C 3 400 ? 25.536 -56.495 -72.422 1.00 56.77 ? 418 ASN C O 1 +ATOM 12143 C CB . ASN C 3 400 ? 22.936 -57.760 -72.165 1.00 43.81 ? 418 ASN C CB 1 +ATOM 12144 C CG . ASN C 3 400 ? 23.387 -58.834 -71.206 1.00 54.54 ? 418 ASN C CG 1 +ATOM 12145 O OD1 . ASN C 3 400 ? 23.588 -59.976 -71.627 1.00 60.75 ? 418 ASN C OD1 1 +ATOM 12146 N ND2 . ASN C 3 400 ? 23.552 -58.497 -69.922 1.00 49.74 ? 418 ASN C ND2 1 +ATOM 12147 N N A PHE C 3 401 ? 25.125 -55.184 -70.639 0.40 50.88 ? 419 PHE C N 1 +ATOM 12148 N N B PHE C 3 401 ? 25.126 -55.202 -70.632 0.60 50.91 ? 419 PHE C N 1 +ATOM 12149 C CA A PHE C 3 401 ? 26.511 -54.733 -70.562 0.40 54.12 ? 419 PHE C CA 1 +ATOM 12150 C CA B PHE C 3 401 ? 26.507 -54.748 -70.575 0.60 54.22 ? 419 PHE C CA 1 +ATOM 12151 C C A PHE C 3 401 ? 26.852 -54.259 -69.152 0.40 50.89 ? 419 PHE C C 1 +ATOM 12152 C C B PHE C 3 401 ? 26.857 -54.315 -69.159 0.60 50.94 ? 419 PHE C C 1 +ATOM 12153 O O A PHE C 3 401 ? 26.129 -53.440 -68.575 0.40 53.49 ? 419 PHE C O 1 +ATOM 12154 O O B PHE C 3 401 ? 26.093 -53.584 -68.522 0.60 54.04 ? 419 PHE C O 1 +ATOM 12155 C CB A PHE C 3 401 ? 26.765 -53.613 -71.593 0.40 50.36 ? 419 PHE C CB 1 +ATOM 12156 C CB B PHE C 3 401 ? 26.738 -53.587 -71.557 0.60 50.34 ? 419 PHE C CB 1 +ATOM 12157 C CG A PHE C 3 401 ? 28.123 -52.960 -71.484 0.40 49.50 ? 419 PHE C CG 1 +ATOM 12158 C CG B PHE C 3 401 ? 28.101 -52.950 -71.446 0.60 49.48 ? 419 PHE C CG 1 +ATOM 12159 C CD1 A PHE C 3 401 ? 29.261 -53.586 -71.985 0.40 50.90 ? 419 PHE C CD1 1 +ATOM 12160 C CD1 B PHE C 3 401 ? 29.229 -53.599 -71.926 0.60 50.96 ? 419 PHE C CD1 1 +ATOM 12161 C CD2 A PHE C 3 401 ? 28.260 -51.706 -70.886 0.40 52.64 ? 419 PHE C CD2 1 +ATOM 12162 C CD2 B PHE C 3 401 ? 28.255 -51.700 -70.865 0.60 52.72 ? 419 PHE C CD2 1 +ATOM 12163 C CE1 A PHE C 3 401 ? 30.522 -52.964 -71.895 0.40 50.36 ? 419 PHE C CE1 1 +ATOM 12164 C CE1 B PHE C 3 401 ? 30.490 -53.008 -71.833 0.60 50.45 ? 419 PHE C CE1 1 +ATOM 12165 C CE2 A PHE C 3 401 ? 29.516 -51.075 -70.793 0.40 50.16 ? 419 PHE C CE2 1 +ATOM 12166 C CE2 B PHE C 3 401 ? 29.515 -51.098 -70.766 0.60 50.18 ? 419 PHE C CE2 1 +ATOM 12167 C CZ A PHE C 3 401 ? 30.643 -51.709 -71.283 0.40 46.12 ? 419 PHE C CZ 1 +ATOM 12168 C CZ B PHE C 3 401 ? 30.632 -51.753 -71.249 0.60 46.01 ? 419 PHE C CZ 1 +ATOM 12169 N N A VAL C 3 402 ? 27.945 -54.790 -68.604 0.40 48.14 ? 420 VAL C N 1 +ATOM 12170 N N B VAL C 3 402 ? 28.005 -54.778 -68.679 0.60 48.12 ? 420 VAL C N 1 +ATOM 12171 C CA A VAL C 3 402 ? 28.694 -54.171 -67.513 0.40 46.99 ? 420 VAL C CA 1 +ATOM 12172 C CA B VAL C 3 402 ? 28.732 -54.169 -67.571 0.60 46.94 ? 420 VAL C CA 1 +ATOM 12173 C C A VAL C 3 402 ? 30.165 -54.235 -67.900 0.40 46.92 ? 420 VAL C C 1 +ATOM 12174 C C B VAL C 3 402 ? 30.211 -54.252 -67.918 0.60 46.80 ? 420 VAL C C 1 +ATOM 12175 O O A VAL C 3 402 ? 30.650 -55.282 -68.332 0.40 51.20 ? 420 VAL C O 1 +ATOM 12176 O O B VAL C 3 402 ? 30.711 -55.324 -68.269 0.60 51.38 ? 420 VAL C O 1 +ATOM 12177 C CB A VAL C 3 402 ? 28.455 -54.852 -66.151 0.40 50.93 ? 420 VAL C CB 1 +ATOM 12178 C CB B VAL C 3 402 ? 28.449 -54.839 -66.210 0.60 51.02 ? 420 VAL C CB 1 +ATOM 12179 C CG1 A VAL C 3 402 ? 29.596 -54.510 -65.176 0.40 44.85 ? 420 VAL C CG1 1 +ATOM 12180 C CG1 B VAL C 3 402 ? 29.562 -54.508 -65.214 0.60 44.83 ? 420 VAL C CG1 1 +ATOM 12181 C CG2 A VAL C 3 402 ? 27.117 -54.402 -65.556 0.40 47.88 ? 420 VAL C CG2 1 +ATOM 12182 C CG2 B VAL C 3 402 ? 27.110 -54.359 -65.653 0.60 47.91 ? 420 VAL C CG2 1 +ATOM 12183 N N A SER C 3 403 ? 30.861 -53.117 -67.790 0.40 51.02 ? 421 SER C N 1 +ATOM 12184 N N B SER C 3 403 ? 30.898 -53.125 -67.849 0.60 51.08 ? 421 SER C N 1 +ATOM 12185 C CA A SER C 3 403 ? 32.246 -53.080 -68.230 0.40 53.94 ? 421 SER C CA 1 +ATOM 12186 C CA B SER C 3 403 ? 32.285 -53.082 -68.273 0.60 54.10 ? 421 SER C CA 1 +ATOM 12187 C C A SER C 3 403 ? 33.097 -54.084 -67.449 0.40 51.28 ? 421 SER C C 1 +ATOM 12188 C C B SER C 3 403 ? 33.125 -54.095 -67.497 0.60 51.33 ? 421 SER C C 1 +ATOM 12189 O O A SER C 3 403 ? 32.921 -54.240 -66.233 0.40 51.91 ? 421 SER C O 1 +ATOM 12190 O O B SER C 3 403 ? 32.887 -54.319 -66.304 0.60 52.04 ? 421 SER C O 1 +ATOM 12191 C CB A SER C 3 403 ? 32.811 -51.675 -68.051 0.40 50.03 ? 421 SER C CB 1 +ATOM 12192 C CB B SER C 3 403 ? 32.853 -51.680 -68.071 0.60 50.08 ? 421 SER C CB 1 +ATOM 12193 O OG A SER C 3 403 ? 34.207 -51.677 -68.277 0.40 57.62 ? 421 SER C OG 1 +ATOM 12194 O OG B SER C 3 403 ? 34.250 -51.678 -68.294 0.60 58.01 ? 421 SER C OG 1 +ATOM 12195 N N A PRO C 3 404 ? 34.043 -54.756 -68.105 0.40 50.75 ? 422 PRO C N 1 +ATOM 12196 N N B PRO C 3 404 ? 34.110 -54.724 -68.141 0.60 50.99 ? 422 PRO C N 1 +ATOM 12197 C CA A PRO C 3 404 ? 35.053 -55.535 -67.357 0.40 46.60 ? 422 PRO C CA 1 +ATOM 12198 C CA B PRO C 3 404 ? 35.097 -55.519 -67.383 0.60 46.56 ? 422 PRO C CA 1 +ATOM 12199 C C A PRO C 3 404 ? 35.809 -54.709 -66.319 0.40 48.36 ? 422 PRO C C 1 +ATOM 12200 C C B PRO C 3 404 ? 35.820 -54.712 -66.311 0.60 48.41 ? 422 PRO C C 1 +ATOM 12201 O O A PRO C 3 404 ? 36.215 -55.245 -65.277 0.40 48.08 ? 422 PRO C O 1 +ATOM 12202 O O B PRO C 3 404 ? 36.175 -55.263 -65.258 0.60 48.15 ? 422 PRO C O 1 +ATOM 12203 C CB A PRO C 3 404 ? 35.994 -56.047 -68.459 0.40 48.97 ? 422 PRO C CB 1 +ATOM 12204 C CB B PRO C 3 404 ? 36.065 -56.006 -68.473 0.60 48.99 ? 422 PRO C CB 1 +ATOM 12205 C CG A PRO C 3 404 ? 35.207 -55.909 -69.750 0.40 46.08 ? 422 PRO C CG 1 +ATOM 12206 C CG B PRO C 3 404 ? 35.283 -55.884 -69.771 0.60 46.04 ? 422 PRO C CG 1 +ATOM 12207 C CD A PRO C 3 404 ? 34.301 -54.733 -69.555 0.40 46.99 ? 422 PRO C CD 1 +ATOM 12208 C CD B PRO C 3 404 ? 34.372 -54.713 -69.591 0.60 46.96 ? 422 PRO C CD 1 +ATOM 12209 N N A ARG C 3 405 ? 35.997 -53.411 -66.556 0.40 43.44 ? 423 ARG C N 1 +ATOM 12210 N N B ARG C 3 405 ? 36.037 -53.413 -66.538 0.60 43.36 ? 423 ARG C N 1 +ATOM 12211 C CA A ARG C 3 405 ? 36.681 -52.595 -65.560 0.40 46.66 ? 423 ARG C CA 1 +ATOM 12212 C CA B ARG C 3 405 ? 36.705 -52.595 -65.532 0.60 46.62 ? 423 ARG C CA 1 +ATOM 12213 C C A ARG C 3 405 ? 35.874 -52.506 -64.265 0.40 47.06 ? 423 ARG C C 1 +ATOM 12214 C C B ARG C 3 405 ? 35.890 -52.527 -64.244 0.60 47.14 ? 423 ARG C C 1 +ATOM 12215 O O A ARG C 3 405 ? 36.449 -52.523 -63.171 0.40 48.85 ? 423 ARG C O 1 +ATOM 12216 O O B ARG C 3 405 ? 36.452 -52.591 -63.142 0.60 48.93 ? 423 ARG C O 1 +ATOM 12217 C CB A ARG C 3 405 ? 36.971 -51.208 -66.127 0.40 47.36 ? 423 ARG C CB 1 +ATOM 12218 C CB B ARG C 3 405 ? 36.971 -51.195 -66.084 0.60 47.39 ? 423 ARG C CB 1 +ATOM 12219 C CG A ARG C 3 405 ? 37.980 -51.228 -67.257 0.40 45.66 ? 423 ARG C CG 1 +ATOM 12220 C CG B ARG C 3 405 ? 37.891 -51.180 -67.289 0.60 45.58 ? 423 ARG C CG 1 +ATOM 12221 C CD A ARG C 3 405 ? 38.392 -49.837 -67.595 0.40 44.38 ? 423 ARG C CD 1 +ATOM 12222 C CD B ARG C 3 405 ? 38.393 -49.791 -67.561 0.60 44.33 ? 423 ARG C CD 1 +ATOM 12223 N NE A ARG C 3 405 ? 39.164 -49.733 -68.829 0.40 48.05 ? 423 ARG C NE 1 +ATOM 12224 N NE B ARG C 3 405 ? 39.151 -49.698 -68.804 0.60 48.13 ? 423 ARG C NE 1 +ATOM 12225 C CZ A ARG C 3 405 ? 40.489 -49.718 -68.874 0.40 50.25 ? 423 ARG C CZ 1 +ATOM 12226 C CZ B ARG C 3 405 ? 40.472 -49.781 -68.873 0.60 50.36 ? 423 ARG C CZ 1 +ATOM 12227 N NH1 A ARG C 3 405 ? 41.222 -49.879 -67.777 0.40 47.97 ? 423 ARG C NH1 1 +ATOM 12228 N NH1 B ARG C 3 405 ? 41.207 -50.008 -67.793 0.60 47.89 ? 423 ARG C NH1 1 +ATOM 12229 N NH2 A ARG C 3 405 ? 41.095 -49.525 -70.041 0.40 49.31 ? 423 ARG C NH2 1 +ATOM 12230 N NH2 B ARG C 3 405 ? 41.071 -49.623 -70.046 0.60 49.37 ? 423 ARG C NH2 1 +ATOM 12231 N N A SER C 3 406 ? 34.541 -52.445 -64.364 0.40 43.98 ? 424 SER C N 1 +ATOM 12232 N N B SER C 3 406 ? 34.560 -52.434 -64.352 0.60 43.86 ? 424 SER C N 1 +ATOM 12233 C CA A SER C 3 406 ? 33.724 -52.429 -63.154 0.40 44.98 ? 424 SER C CA 1 +ATOM 12234 C CA B SER C 3 406 ? 33.744 -52.440 -63.140 0.60 44.90 ? 424 SER C CA 1 +ATOM 12235 C C A SER C 3 406 ? 33.787 -53.767 -62.434 0.40 52.27 ? 424 SER C C 1 +ATOM 12236 C C B SER C 3 406 ? 33.784 -53.798 -62.449 0.60 52.45 ? 424 SER C C 1 +ATOM 12237 O O A SER C 3 406 ? 33.952 -53.809 -61.209 0.40 51.34 ? 424 SER C O 1 +ATOM 12238 O O B SER C 3 406 ? 33.940 -53.869 -61.225 0.60 51.51 ? 424 SER C O 1 +ATOM 12239 C CB A SER C 3 406 ? 32.277 -52.074 -63.478 0.40 43.39 ? 424 SER C CB 1 +ATOM 12240 C CB B SER C 3 406 ? 32.306 -52.047 -63.456 0.60 43.26 ? 424 SER C CB 1 +ATOM 12241 O OG A SER C 3 406 ? 32.192 -50.728 -63.902 0.40 50.95 ? 424 SER C OG 1 +ATOM 12242 O OG B SER C 3 406 ? 32.250 -50.695 -63.876 0.60 51.05 ? 424 SER C OG 1 +ATOM 12243 N N A TRP C 3 407 ? 33.658 -54.876 -63.177 0.40 49.04 ? 425 TRP C N 1 +ATOM 12244 N N B TRP C 3 407 ? 33.651 -54.888 -63.208 0.60 49.09 ? 425 TRP C N 1 +ATOM 12245 C CA A TRP C 3 407 ? 33.764 -56.189 -62.544 0.40 47.83 ? 425 TRP C CA 1 +ATOM 12246 C CA B TRP C 3 407 ? 33.729 -56.210 -62.596 0.60 47.84 ? 425 TRP C CA 1 +ATOM 12247 C C A TRP C 3 407 ? 35.123 -56.371 -61.870 0.40 47.26 ? 425 TRP C C 1 +ATOM 12248 C C B TRP C 3 407 ? 35.058 -56.401 -61.874 0.60 47.29 ? 425 TRP C C 1 +ATOM 12249 O O A TRP C 3 407 ? 35.202 -56.874 -60.748 0.40 47.96 ? 425 TRP C O 1 +ATOM 12250 O O B TRP C 3 407 ? 35.101 -56.888 -60.739 0.60 47.99 ? 425 TRP C O 1 +ATOM 12251 C CB A TRP C 3 407 ? 33.537 -57.316 -63.557 0.40 48.40 ? 425 TRP C CB 1 +ATOM 12252 C CB B TRP C 3 407 ? 33.537 -57.307 -63.646 0.60 48.49 ? 425 TRP C CB 1 +ATOM 12253 C CG A TRP C 3 407 ? 32.138 -57.466 -64.113 0.40 51.78 ? 425 TRP C CG 1 +ATOM 12254 C CG B TRP C 3 407 ? 32.136 -57.456 -64.187 0.60 52.00 ? 425 TRP C CG 1 +ATOM 12255 C CD1 A TRP C 3 407 ? 31.767 -57.394 -65.438 0.40 48.87 ? 425 TRP C CD1 1 +ATOM 12256 C CD1 B TRP C 3 407 ? 31.755 -57.396 -65.504 0.60 48.88 ? 425 TRP C CD1 1 +ATOM 12257 C CD2 A TRP C 3 407 ? 30.931 -57.736 -63.375 0.40 44.19 ? 425 TRP C CD2 1 +ATOM 12258 C CD2 B TRP C 3 407 ? 30.936 -57.705 -63.434 0.60 44.14 ? 425 TRP C CD2 1 +ATOM 12259 N NE1 A TRP C 3 407 ? 30.413 -57.610 -65.561 0.40 46.26 ? 425 TRP C NE1 1 +ATOM 12260 N NE1 B TRP C 3 407 ? 30.402 -57.605 -65.613 0.60 46.21 ? 425 TRP C NE1 1 +ATOM 12261 C CE2 A TRP C 3 407 ? 29.876 -57.819 -64.315 0.40 47.09 ? 425 TRP C CE2 1 +ATOM 12262 C CE2 B TRP C 3 407 ? 29.873 -57.795 -64.362 0.60 47.16 ? 425 TRP C CE2 1 +ATOM 12263 C CE3 A TRP C 3 407 ? 30.644 -57.938 -62.016 0.40 45.81 ? 425 TRP C CE3 1 +ATOM 12264 C CE3 B TRP C 3 407 ? 30.663 -57.888 -62.075 0.60 45.64 ? 425 TRP C CE3 1 +ATOM 12265 C CZ2 A TRP C 3 407 ? 28.555 -58.072 -63.938 0.40 42.93 ? 425 TRP C CZ2 1 +ATOM 12266 C CZ2 B TRP C 3 407 ? 28.553 -58.032 -63.969 0.60 42.84 ? 425 TRP C CZ2 1 +ATOM 12267 C CZ3 A TRP C 3 407 ? 29.329 -58.187 -61.642 0.40 52.15 ? 425 TRP C CZ3 1 +ATOM 12268 C CZ3 B TRP C 3 407 ? 29.350 -58.123 -61.681 0.60 52.27 ? 425 TRP C CZ3 1 +ATOM 12269 C CH2 A TRP C 3 407 ? 28.298 -58.246 -62.600 0.40 46.41 ? 425 TRP C CH2 1 +ATOM 12270 C CH2 B TRP C 3 407 ? 28.310 -58.186 -62.628 0.60 46.34 ? 425 TRP C CH2 1 +ATOM 12271 N N A LEU C 3 408 ? 36.206 -55.980 -62.537 0.40 46.45 ? 426 LEU C N 1 +ATOM 12272 N N B LEU C 3 408 ? 36.158 -56.014 -62.515 0.60 46.47 ? 426 LEU C N 1 +ATOM 12273 C CA A LEU C 3 408 ? 37.513 -56.225 -61.943 0.40 48.51 ? 426 LEU C CA 1 +ATOM 12274 C CA B LEU C 3 408 ? 37.461 -56.284 -61.920 0.60 48.46 ? 426 LEU C CA 1 +ATOM 12275 C C A LEU C 3 408 ? 37.757 -55.316 -60.745 0.40 48.59 ? 426 LEU C C 1 +ATOM 12276 C C B LEU C 3 408 ? 37.727 -55.382 -60.718 0.60 48.59 ? 426 LEU C C 1 +ATOM 12277 O O A LEU C 3 408 ? 38.328 -55.757 -59.742 0.40 52.88 ? 426 LEU C O 1 +ATOM 12278 O O B LEU C 3 408 ? 38.298 -55.834 -59.720 0.60 53.10 ? 426 LEU C O 1 +ATOM 12279 C CB A LEU C 3 408 ? 38.612 -56.078 -63.002 0.40 48.48 ? 426 LEU C CB 1 +ATOM 12280 C CB B LEU C 3 408 ? 38.556 -56.142 -62.978 0.60 48.59 ? 426 LEU C CB 1 +ATOM 12281 C CG A LEU C 3 408 ? 38.632 -57.288 -63.951 0.40 48.01 ? 426 LEU C CG 1 +ATOM 12282 C CG B LEU C 3 408 ? 38.607 -57.324 -63.952 0.60 47.96 ? 426 LEU C CG 1 +ATOM 12283 C CD1 A LEU C 3 408 ? 39.521 -57.029 -65.152 0.40 50.64 ? 426 LEU C CD1 1 +ATOM 12284 C CD1 B LEU C 3 408 ? 39.513 -57.008 -65.142 0.60 50.68 ? 426 LEU C CD1 1 +ATOM 12285 C CD2 A LEU C 3 408 ? 39.072 -58.552 -63.216 0.40 47.93 ? 426 LEU C CD2 1 +ATOM 12286 C CD2 B LEU C 3 408 ? 39.074 -58.582 -63.238 0.60 47.96 ? 426 LEU C CD2 1 +ATOM 12287 N N A ALA C 3 409 ? 37.298 -54.055 -60.808 0.40 45.38 ? 427 ALA C N 1 +ATOM 12288 N N B ALA C 3 409 ? 37.298 -54.115 -60.777 0.60 45.40 ? 427 ALA C N 1 +ATOM 12289 C CA A ALA C 3 409 ? 37.546 -53.136 -59.697 0.40 46.66 ? 427 ALA C CA 1 +ATOM 12290 C CA B ALA C 3 409 ? 37.588 -53.197 -59.675 0.60 46.60 ? 427 ALA C CA 1 +ATOM 12291 C C A ALA C 3 409 ? 36.709 -53.494 -58.475 0.40 47.35 ? 427 ALA C C 1 +ATOM 12292 C C B ALA C 3 409 ? 36.710 -53.482 -58.465 0.60 47.40 ? 427 ALA C C 1 +ATOM 12293 O O A ALA C 3 409 ? 37.214 -53.470 -57.348 0.40 49.25 ? 427 ALA C O 1 +ATOM 12294 O O B ALA C 3 409 ? 37.181 -53.414 -57.324 0.60 49.35 ? 427 ALA C O 1 +ATOM 12295 C CB A ALA C 3 409 ? 37.285 -51.680 -60.115 0.40 41.12 ? 427 ALA C CB 1 +ATOM 12296 C CB B ALA C 3 409 ? 37.420 -51.739 -60.118 0.60 41.04 ? 427 ALA C CB 1 +ATOM 12297 N N A THR C 3 410 ? 35.429 -53.822 -58.669 0.40 47.89 ? 428 THR C N 1 +ATOM 12298 N N B THR C 3 410 ? 35.429 -53.795 -58.684 0.60 47.92 ? 428 THR C N 1 +ATOM 12299 C CA A THR C 3 410 ? 34.562 -54.070 -57.516 0.40 48.05 ? 428 THR C CA 1 +ATOM 12300 C CA B THR C 3 410 ? 34.552 -54.041 -57.541 0.60 48.07 ? 428 THR C CA 1 +ATOM 12301 C C A THR C 3 410 ? 34.937 -55.374 -56.823 0.40 50.79 ? 428 THR C C 1 +ATOM 12302 C C B THR C 3 410 ? 34.936 -55.330 -56.835 0.60 50.77 ? 428 THR C C 1 +ATOM 12303 O O A THR C 3 410 ? 35.012 -55.434 -55.590 0.40 51.00 ? 428 THR C O 1 +ATOM 12304 O O B THR C 3 410 ? 35.000 -55.378 -55.602 0.60 51.17 ? 428 THR C O 1 +ATOM 12305 C CB A THR C 3 410 ? 33.086 -54.108 -57.937 0.40 52.25 ? 428 THR C CB 1 +ATOM 12306 C CB B THR C 3 410 ? 33.084 -54.099 -57.974 0.60 52.41 ? 428 THR C CB 1 +ATOM 12307 O OG1 A THR C 3 410 ? 32.875 -55.195 -58.838 0.40 47.31 ? 428 THR C OG1 1 +ATOM 12308 O OG1 B THR C 3 410 ? 32.881 -55.217 -58.847 0.60 47.26 ? 428 THR C OG1 1 +ATOM 12309 C CG2 A THR C 3 410 ? 32.635 -52.795 -58.612 0.40 43.18 ? 428 THR C CG2 1 +ATOM 12310 C CG2 B THR C 3 410 ? 32.658 -52.803 -58.674 0.60 43.01 ? 428 THR C CG2 1 +ATOM 12311 N N A SER C 3 411 ? 35.179 -56.430 -57.604 0.40 49.81 ? 429 SER C N 1 +ATOM 12312 N N B SER C 3 411 ? 35.201 -56.386 -57.605 0.60 49.83 ? 429 SER C N 1 +ATOM 12313 C CA A SER C 3 411 ? 35.581 -57.694 -57.003 0.40 53.08 ? 429 SER C CA 1 +ATOM 12314 C CA B SER C 3 411 ? 35.567 -57.658 -56.996 0.60 53.17 ? 429 SER C CA 1 +ATOM 12315 C C A SER C 3 411 ? 36.842 -57.514 -56.174 0.40 48.10 ? 429 SER C C 1 +ATOM 12316 C C B SER C 3 411 ? 36.840 -57.519 -56.176 0.60 48.06 ? 429 SER C C 1 +ATOM 12317 O O A SER C 3 411 ? 36.917 -57.986 -55.035 0.40 52.24 ? 429 SER C O 1 +ATOM 12318 O O B SER C 3 411 ? 36.931 -58.051 -55.061 0.60 52.34 ? 429 SER C O 1 +ATOM 12319 C CB A SER C 3 411 ? 35.780 -58.758 -58.085 0.40 47.53 ? 429 SER C CB 1 +ATOM 12320 C CB B SER C 3 411 ? 35.736 -58.725 -58.074 0.60 47.41 ? 429 SER C CB 1 +ATOM 12321 O OG A SER C 3 411 ? 36.738 -58.338 -59.046 0.40 48.01 ? 429 SER C OG 1 +ATOM 12322 O OG B SER C 3 411 ? 36.832 -58.397 -58.909 0.60 48.33 ? 429 SER C OG 1 +ATOM 12323 N N . HIS C 3 412 ? 37.829 -56.796 -56.698 1.00 48.49 ? 430 HIS C N 1 +ATOM 12324 C CA . HIS C 3 412 ? 39.091 -56.709 -55.984 1.00 48.40 ? 430 HIS C CA 1 +ATOM 12325 C C . HIS C 3 412 ? 39.072 -55.702 -54.849 1.00 53.17 ? 430 HIS C C 1 +ATOM 12326 O O . HIS C 3 412 ? 39.858 -55.857 -53.906 1.00 49.65 ? 430 HIS C O 1 +ATOM 12327 C CB . HIS C 3 412 ? 40.234 -56.477 -56.970 1.00 46.52 ? 430 HIS C CB 1 +ATOM 12328 C CG . HIS C 3 412 ? 40.569 -57.726 -57.717 1.00 56.27 ? 430 HIS C CG 1 +ATOM 12329 N ND1 . HIS C 3 412 ? 39.836 -58.150 -58.801 1.00 53.51 ? 430 HIS C ND1 1 +ATOM 12330 C CD2 . HIS C 3 412 ? 41.453 -58.718 -57.449 1.00 53.45 ? 430 HIS C CD2 1 +ATOM 12331 C CE1 . HIS C 3 412 ? 40.298 -59.322 -59.211 1.00 68.79 ? 430 HIS C CE1 1 +ATOM 12332 N NE2 . HIS C 3 412 ? 41.278 -59.693 -58.406 1.00 51.32 ? 430 HIS C NE2 1 +ATOM 12333 N N A PHE C 3 413 ? 38.191 -54.690 -54.887 0.40 51.47 ? 431 PHE C N 1 +ATOM 12334 N N B PHE C 3 413 ? 38.188 -54.705 -54.876 0.60 51.52 ? 431 PHE C N 1 +ATOM 12335 C CA A PHE C 3 413 ? 38.023 -53.901 -53.676 0.40 51.74 ? 431 PHE C CA 1 +ATOM 12336 C CA B PHE C 3 413 ? 38.026 -53.918 -53.662 0.60 51.77 ? 431 PHE C CA 1 +ATOM 12337 C C A PHE C 3 413 ? 37.419 -54.749 -52.564 0.40 53.07 ? 431 PHE C C 1 +ATOM 12338 C C B PHE C 3 413 ? 37.424 -54.767 -52.552 0.60 53.18 ? 431 PHE C C 1 +ATOM 12339 O O A PHE C 3 413 ? 37.885 -54.699 -51.421 0.40 47.04 ? 431 PHE C O 1 +ATOM 12340 O O B PHE C 3 413 ? 37.866 -54.694 -51.401 0.60 46.97 ? 431 PHE C O 1 +ATOM 12341 C CB A PHE C 3 413 ? 37.168 -52.650 -53.909 0.40 52.16 ? 431 PHE C CB 1 +ATOM 12342 C CB B PHE C 3 413 ? 37.163 -52.676 -53.895 0.60 52.19 ? 431 PHE C CB 1 +ATOM 12343 C CG A PHE C 3 413 ? 37.195 -51.714 -52.729 0.40 54.95 ? 431 PHE C CG 1 +ATOM 12344 C CG B PHE C 3 413 ? 37.178 -51.730 -52.721 0.60 55.07 ? 431 PHE C CG 1 +ATOM 12345 C CD1 A PHE C 3 413 ? 38.052 -50.632 -52.710 0.40 52.90 ? 431 PHE C CD1 1 +ATOM 12346 C CD1 B PHE C 3 413 ? 38.008 -50.625 -52.724 0.60 52.88 ? 431 PHE C CD1 1 +ATOM 12347 C CD2 A PHE C 3 413 ? 36.433 -51.978 -51.595 0.40 52.66 ? 431 PHE C CD2 1 +ATOM 12348 C CD2 B PHE C 3 413 ? 36.407 -51.985 -51.591 0.60 52.65 ? 431 PHE C CD2 1 +ATOM 12349 C CE1 A PHE C 3 413 ? 38.125 -49.808 -51.595 0.40 53.52 ? 431 PHE C CE1 1 +ATOM 12350 C CE1 B PHE C 3 413 ? 38.051 -49.777 -51.635 0.60 53.57 ? 431 PHE C CE1 1 +ATOM 12351 C CE2 A PHE C 3 413 ? 36.510 -51.154 -50.478 0.40 49.24 ? 431 PHE C CE2 1 +ATOM 12352 C CE2 B PHE C 3 413 ? 36.456 -51.142 -50.492 0.60 49.17 ? 431 PHE C CE2 1 +ATOM 12353 C CZ A PHE C 3 413 ? 37.352 -50.072 -50.486 0.40 55.01 ? 431 PHE C CZ 1 +ATOM 12354 C CZ B PHE C 3 413 ? 37.274 -50.034 -50.520 0.60 55.20 ? 431 PHE C CZ 1 +ATOM 12355 N N . VAL C 3 414 ? 36.408 -55.566 -52.878 1.00 45.81 ? 432 VAL C N 1 +ATOM 12356 C CA . VAL C 3 414 ? 35.757 -56.376 -51.849 1.00 43.78 ? 432 VAL C CA 1 +ATOM 12357 C C . VAL C 3 414 ? 36.752 -57.356 -51.244 1.00 49.46 ? 432 VAL C C 1 +ATOM 12358 O O . VAL C 3 414 ? 36.851 -57.489 -50.022 1.00 55.88 ? 432 VAL C O 1 +ATOM 12359 C CB . VAL C 3 414 ? 34.530 -57.103 -52.430 1.00 48.70 ? 432 VAL C CB 1 +ATOM 12360 C CG1 . VAL C 3 414 ? 34.042 -58.201 -51.471 1.00 46.61 ? 432 VAL C CG1 1 +ATOM 12361 C CG2 . VAL C 3 414 ? 33.415 -56.106 -52.777 1.00 45.07 ? 432 VAL C CG2 1 +ATOM 12362 N N . LEU C 3 415 ? 37.523 -58.032 -52.096 1.00 48.34 ? 433 LEU C N 1 +ATOM 12363 C CA . LEU C 3 415 ? 38.524 -58.982 -51.623 1.00 53.88 ? 433 LEU C CA 1 +ATOM 12364 C C . LEU C 3 415 ? 39.610 -58.292 -50.808 1.00 46.88 ? 433 LEU C C 1 +ATOM 12365 O O . LEU C 3 415 ? 40.005 -58.787 -49.743 1.00 56.96 ? 433 LEU C O 1 +ATOM 12366 C CB . LEU C 3 415 ? 39.139 -59.725 -52.812 1.00 49.93 ? 433 LEU C CB 1 +ATOM 12367 C CG . LEU C 3 415 ? 38.224 -60.707 -53.549 1.00 53.22 ? 433 LEU C CG 1 +ATOM 12368 C CD1 . LEU C 3 415 ? 38.819 -61.060 -54.921 1.00 58.85 ? 433 LEU C CD1 1 +ATOM 12369 C CD2 . LEU C 3 415 ? 37.976 -61.952 -52.737 1.00 52.72 ? 433 LEU C CD2 1 +ATOM 12370 N N . ALA C 3 416 ? 40.098 -57.141 -51.280 1.00 49.43 ? 434 ALA C N 1 +ATOM 12371 C CA . ALA C 3 416 ? 41.144 -56.434 -50.544 1.00 53.96 ? 434 ALA C CA 1 +ATOM 12372 C C . ALA C 3 416 ? 40.646 -55.979 -49.178 1.00 55.14 ? 434 ALA C C 1 +ATOM 12373 O O . ALA C 3 416 ? 41.387 -56.040 -48.187 1.00 50.51 ? 434 ALA C O 1 +ATOM 12374 C CB . ALA C 3 416 ? 41.654 -55.243 -51.351 1.00 46.74 ? 434 ALA C CB 1 +ATOM 12375 N N . PHE C 3 417 ? 39.393 -55.519 -49.103 1.00 49.10 ? 435 PHE C N 1 +ATOM 12376 C CA . PHE C 3 417 ? 38.848 -55.116 -47.813 1.00 53.18 ? 435 PHE C CA 1 +ATOM 12377 C C . PHE C 3 417 ? 38.831 -56.281 -46.836 1.00 49.34 ? 435 PHE C C 1 +ATOM 12378 O O . PHE C 3 417 ? 39.332 -56.173 -45.708 1.00 52.96 ? 435 PHE C O 1 +ATOM 12379 C CB . PHE C 3 417 ? 37.438 -54.541 -47.948 1.00 48.93 ? 435 PHE C CB 1 +ATOM 12380 C CG . PHE C 3 417 ? 36.822 -54.268 -46.611 1.00 53.39 ? 435 PHE C CG 1 +ATOM 12381 C CD1 . PHE C 3 417 ? 37.279 -53.211 -45.842 1.00 45.42 ? 435 PHE C CD1 1 +ATOM 12382 C CD2 . PHE C 3 417 ? 35.858 -55.115 -46.080 1.00 54.04 ? 435 PHE C CD2 1 +ATOM 12383 C CE1 . PHE C 3 417 ? 36.756 -52.973 -44.587 1.00 55.28 ? 435 PHE C CE1 1 +ATOM 12384 C CE2 . PHE C 3 417 ? 35.321 -54.874 -44.827 1.00 46.11 ? 435 PHE C CE2 1 +ATOM 12385 C CZ . PHE C 3 417 ? 35.776 -53.801 -44.081 1.00 51.88 ? 435 PHE C CZ 1 +ATOM 12386 N N . PHE C 3 418 ? 38.239 -57.406 -47.243 1.00 52.16 ? 436 PHE C N 1 +ATOM 12387 C CA . PHE C 3 418 ? 38.168 -58.545 -46.327 1.00 56.81 ? 436 PHE C CA 1 +ATOM 12388 C C . PHE C 3 418 ? 39.550 -59.069 -45.973 1.00 50.62 ? 436 PHE C C 1 +ATOM 12389 O O . PHE C 3 418 ? 39.745 -59.583 -44.872 1.00 51.49 ? 436 PHE C O 1 +ATOM 12390 C CB . PHE C 3 418 ? 37.297 -59.653 -46.907 1.00 46.66 ? 436 PHE C CB 1 +ATOM 12391 C CG . PHE C 3 418 ? 35.829 -59.421 -46.706 1.00 57.76 ? 436 PHE C CG 1 +ATOM 12392 C CD1 . PHE C 3 418 ? 35.309 -59.287 -45.429 1.00 59.27 ? 436 PHE C CD1 1 +ATOM 12393 C CD2 . PHE C 3 418 ? 34.970 -59.306 -47.785 1.00 54.05 ? 436 PHE C CD2 1 +ATOM 12394 C CE1 . PHE C 3 418 ? 33.951 -59.054 -45.235 1.00 57.50 ? 436 PHE C CE1 1 +ATOM 12395 C CE2 . PHE C 3 418 ? 33.619 -59.091 -47.595 1.00 51.42 ? 436 PHE C CE2 1 +ATOM 12396 C CZ . PHE C 3 418 ? 33.108 -58.962 -46.322 1.00 55.31 ? 436 PHE C CZ 1 +ATOM 12397 N N . PHE C 3 419 ? 40.530 -58.920 -46.868 1.00 45.75 ? 437 PHE C N 1 +ATOM 12398 C CA . PHE C 3 419 ? 41.876 -59.347 -46.502 1.00 50.76 ? 437 PHE C CA 1 +ATOM 12399 C C . PHE C 3 419 ? 42.516 -58.400 -45.489 1.00 52.31 ? 437 PHE C C 1 +ATOM 12400 O O . PHE C 3 419 ? 43.335 -58.837 -44.673 1.00 53.26 ? 437 PHE C O 1 +ATOM 12401 C CB . PHE C 3 419 ? 42.725 -59.527 -47.766 1.00 46.83 ? 437 PHE C CB 1 +ATOM 12402 C CG . PHE C 3 419 ? 42.642 -60.939 -48.311 1.00 58.09 ? 437 PHE C CG 1 +ATOM 12403 C CD1 . PHE C 3 419 ? 41.426 -61.453 -48.732 1.00 47.54 ? 437 PHE C CD1 1 +ATOM 12404 C CD2 . PHE C 3 419 ? 43.741 -61.769 -48.302 1.00 53.79 ? 437 PHE C CD2 1 +ATOM 12405 C CE1 . PHE C 3 419 ? 41.320 -62.739 -49.155 1.00 57.21 ? 437 PHE C CE1 1 +ATOM 12406 C CE2 . PHE C 3 419 ? 43.639 -63.068 -48.730 1.00 57.18 ? 437 PHE C CE2 1 +ATOM 12407 C CZ . PHE C 3 419 ? 42.431 -63.551 -49.161 1.00 57.98 ? 437 PHE C CZ 1 +ATOM 12408 N N . LEU C 3 420 ? 42.143 -57.121 -45.498 1.00 48.85 ? 438 LEU C N 1 +ATOM 12409 C CA . LEU C 3 420 ? 42.569 -56.228 -44.424 1.00 48.54 ? 438 LEU C CA 1 +ATOM 12410 C C . LEU C 3 420 ? 41.944 -56.634 -43.099 1.00 47.67 ? 438 LEU C C 1 +ATOM 12411 O O . LEU C 3 420 ? 42.616 -56.644 -42.063 1.00 52.18 ? 438 LEU C O 1 +ATOM 12412 C CB . LEU C 3 420 ? 42.212 -54.779 -44.765 1.00 52.23 ? 438 LEU C CB 1 +ATOM 12413 C CG . LEU C 3 420 ? 42.659 -53.782 -43.699 1.00 60.90 ? 438 LEU C CG 1 +ATOM 12414 C CD1 . LEU C 3 420 ? 44.179 -53.777 -43.634 1.00 63.33 ? 438 LEU C CD1 1 +ATOM 12415 C CD2 . LEU C 3 420 ? 42.121 -52.399 -43.997 1.00 64.41 ? 438 LEU C CD2 1 +ATOM 12416 N N . VAL C 3 421 ? 40.667 -56.995 -43.112 1.00 54.03 ? 439 VAL C N 1 +ATOM 12417 C CA . VAL C 3 421 ? 40.045 -57.497 -41.894 1.00 51.03 ? 439 VAL C CA 1 +ATOM 12418 C C . VAL C 3 421 ? 40.760 -58.757 -41.414 1.00 58.68 ? 439 VAL C C 1 +ATOM 12419 O O . VAL C 3 421 ? 40.970 -58.945 -40.203 1.00 49.09 ? 439 VAL C O 1 +ATOM 12420 C CB . VAL C 3 421 ? 38.540 -57.733 -42.123 1.00 56.41 ? 439 VAL C CB 1 +ATOM 12421 C CG1 . VAL C 3 421 ? 37.897 -58.401 -40.900 1.00 49.85 ? 439 VAL C CG1 1 +ATOM 12422 C CG2 . VAL C 3 421 ? 37.844 -56.392 -42.453 1.00 55.23 ? 439 VAL C CG2 1 +ATOM 12423 N N . GLY C 3 422 ? 41.161 -59.630 -42.351 1.00 48.10 ? 440 GLY C N 1 +ATOM 12424 C CA . GLY C 3 422 ? 41.844 -60.860 -41.970 1.00 41.42 ? 440 GLY C CA 1 +ATOM 12425 C C . GLY C 3 422 ? 43.204 -60.592 -41.352 1.00 56.87 ? 440 GLY C C 1 +ATOM 12426 O O . GLY C 3 422 ? 43.587 -61.231 -40.363 1.00 51.20 ? 440 GLY C O 1 +ATOM 12427 N N . HIS C 3 423 ? 43.942 -59.621 -41.910 1.00 48.80 ? 441 HIS C N 1 +ATOM 12428 C CA . HIS C 3 423 ? 45.188 -59.174 -41.293 1.00 54.60 ? 441 HIS C CA 1 +ATOM 12429 C C . HIS C 3 423 ? 44.962 -58.719 -39.849 1.00 59.20 ? 441 HIS C C 1 +ATOM 12430 O O . HIS C 3 423 ? 45.710 -59.104 -38.943 1.00 52.69 ? 441 HIS C O 1 +ATOM 12431 C CB . HIS C 3 423 ? 45.819 -58.034 -42.112 1.00 44.24 ? 441 HIS C CB 1 +ATOM 12432 C CG . HIS C 3 423 ? 46.882 -57.290 -41.362 1.00 56.05 ? 441 HIS C CG 1 +ATOM 12433 N ND1 . HIS C 3 423 ? 48.121 -57.833 -41.093 1.00 54.17 ? 441 HIS C ND1 1 +ATOM 12434 C CD2 . HIS C 3 423 ? 46.875 -56.070 -40.768 1.00 64.14 ? 441 HIS C CD2 1 +ATOM 12435 C CE1 . HIS C 3 423 ? 48.842 -56.972 -40.396 1.00 58.31 ? 441 HIS C CE1 1 +ATOM 12436 N NE2 . HIS C 3 423 ? 48.109 -55.893 -40.184 1.00 49.20 ? 441 HIS C NE2 1 +ATOM 12437 N N . LEU C 3 424 ? 43.959 -57.866 -39.621 1.00 48.95 ? 442 LEU C N 1 +ATOM 12438 C CA . LEU C 3 424 ? 43.703 -57.394 -38.264 1.00 55.92 ? 442 LEU C CA 1 +ATOM 12439 C C . LEU C 3 424 ? 43.335 -58.549 -37.353 1.00 52.02 ? 442 LEU C C 1 +ATOM 12440 O O . LEU C 3 424 ? 43.850 -58.663 -36.236 1.00 50.22 ? 442 LEU C O 1 +ATOM 12441 C CB . LEU C 3 424 ? 42.596 -56.332 -38.254 1.00 57.67 ? 442 LEU C CB 1 +ATOM 12442 C CG . LEU C 3 424 ? 42.866 -55.010 -38.985 1.00 61.57 ? 442 LEU C CG 1 +ATOM 12443 C CD1 . LEU C 3 424 ? 41.625 -54.144 -38.981 1.00 55.92 ? 442 LEU C CD1 1 +ATOM 12444 C CD2 . LEU C 3 424 ? 44.043 -54.257 -38.348 1.00 53.59 ? 442 LEU C CD2 1 +ATOM 12445 N N A TRP C 3 425 ? 42.441 -59.422 -37.820 0.40 47.73 ? 443 TRP C N 1 +ATOM 12446 N N B TRP C 3 425 ? 42.432 -59.413 -37.806 0.60 47.68 ? 443 TRP C N 1 +ATOM 12447 C CA A TRP C 3 425 ? 42.059 -60.593 -37.045 0.40 46.14 ? 443 TRP C CA 1 +ATOM 12448 C CA B TRP C 3 425 ? 42.072 -60.587 -37.024 0.60 45.97 ? 443 TRP C CA 1 +ATOM 12449 C C A TRP C 3 425 ? 43.285 -61.392 -36.622 0.40 54.17 ? 443 TRP C C 1 +ATOM 12450 C C B TRP C 3 425 ? 43.310 -61.378 -36.618 0.60 54.27 ? 443 TRP C C 1 +ATOM 12451 O O A TRP C 3 425 ? 43.495 -61.653 -35.432 0.40 55.35 ? 443 TRP C O 1 +ATOM 12452 O O B TRP C 3 425 ? 43.566 -61.589 -35.427 0.60 55.61 ? 443 TRP C O 1 +ATOM 12453 C CB A TRP C 3 425 ? 41.122 -61.481 -37.870 0.40 47.90 ? 443 TRP C CB 1 +ATOM 12454 C CB B TRP C 3 425 ? 41.113 -61.476 -37.818 0.60 47.90 ? 443 TRP C CB 1 +ATOM 12455 C CG A TRP C 3 425 ? 40.651 -62.677 -37.082 0.40 52.55 ? 443 TRP C CG 1 +ATOM 12456 C CG B TRP C 3 425 ? 40.665 -62.675 -37.045 0.60 52.56 ? 443 TRP C CG 1 +ATOM 12457 C CD1 A TRP C 3 425 ? 41.228 -63.921 -37.031 0.40 52.67 ? 443 TRP C CD1 1 +ATOM 12458 C CD1 B TRP C 3 425 ? 41.260 -63.909 -37.016 0.60 52.69 ? 443 TRP C CD1 1 +ATOM 12459 C CD2 A TRP C 3 425 ? 39.526 -62.719 -36.199 0.40 55.09 ? 443 TRP C CD2 1 +ATOM 12460 C CD2 B TRP C 3 425 ? 39.530 -62.757 -36.179 0.60 55.20 ? 443 TRP C CD2 1 +ATOM 12461 N NE1 A TRP C 3 425 ? 40.514 -64.738 -36.175 0.40 54.49 ? 443 TRP C NE1 1 +ATOM 12462 N NE1 B TRP C 3 425 ? 40.561 -64.751 -36.185 0.60 54.56 ? 443 TRP C NE1 1 +ATOM 12463 C CE2 A TRP C 3 425 ? 39.470 -64.020 -35.651 0.40 51.82 ? 443 TRP C CE2 1 +ATOM 12464 C CE2 B TRP C 3 425 ? 39.497 -64.069 -35.656 0.60 51.75 ? 443 TRP C CE2 1 +ATOM 12465 C CE3 A TRP C 3 425 ? 38.558 -61.782 -35.820 0.40 53.26 ? 443 TRP C CE3 1 +ATOM 12466 C CE3 B TRP C 3 425 ? 38.538 -61.849 -35.792 0.60 53.38 ? 443 TRP C CE3 1 +ATOM 12467 C CZ2 A TRP C 3 425 ? 38.478 -64.407 -34.768 0.40 55.35 ? 443 TRP C CZ2 1 +ATOM 12468 C CZ2 B TRP C 3 425 ? 38.508 -64.493 -34.783 0.60 55.38 ? 443 TRP C CZ2 1 +ATOM 12469 C CZ3 A TRP C 3 425 ? 37.574 -62.170 -34.938 0.40 54.75 ? 443 TRP C CZ3 1 +ATOM 12470 C CZ3 B TRP C 3 425 ? 37.557 -62.274 -34.927 0.60 54.76 ? 443 TRP C CZ3 1 +ATOM 12471 C CH2 A TRP C 3 425 ? 37.542 -63.466 -34.420 0.40 60.23 ? 443 TRP C CH2 1 +ATOM 12472 C CH2 B TRP C 3 425 ? 37.548 -63.580 -34.429 0.60 60.71 ? 443 TRP C CH2 1 +ATOM 12473 N N . HIS C 3 426 ? 44.103 -61.809 -37.605 1.00 52.30 ? 444 HIS C N 1 +ATOM 12474 C CA . HIS C 3 426 ? 45.208 -62.733 -37.336 1.00 51.44 ? 444 HIS C CA 1 +ATOM 12475 C C . HIS C 3 426 ? 46.431 -62.045 -36.721 1.00 58.95 ? 444 HIS C C 1 +ATOM 12476 O O . HIS C 3 426 ? 47.167 -62.687 -35.962 1.00 53.01 ? 444 HIS C O 1 +ATOM 12477 C CB . HIS C 3 426 ? 45.618 -63.483 -38.614 1.00 44.01 ? 444 HIS C CB 1 +ATOM 12478 C CG . HIS C 3 426 ? 44.630 -64.529 -39.061 1.00 52.35 ? 444 HIS C CG 1 +ATOM 12479 N ND1 . HIS C 3 426 ? 44.374 -65.674 -38.336 1.00 50.51 ? 444 HIS C ND1 1 +ATOM 12480 C CD2 . HIS C 3 426 ? 43.858 -64.613 -40.178 1.00 51.20 ? 444 HIS C CD2 1 +ATOM 12481 C CE1 . HIS C 3 426 ? 43.472 -66.408 -38.974 1.00 56.58 ? 444 HIS C CE1 1 +ATOM 12482 N NE2 . HIS C 3 426 ? 43.140 -65.786 -40.096 1.00 51.76 ? 444 HIS C NE2 1 +ATOM 12483 N N . ALA C 3 427 ? 46.677 -60.763 -37.014 1.00 48.55 ? 445 ALA C N 1 +ATOM 12484 C CA . ALA C 3 427 ? 47.774 -60.075 -36.332 1.00 52.87 ? 445 ALA C CA 1 +ATOM 12485 C C . ALA C 3 427 ? 47.459 -59.859 -34.856 1.00 55.37 ? 445 ALA C C 1 +ATOM 12486 O O . ALA C 3 427 ? 48.325 -60.040 -33.990 1.00 61.67 ? 445 ALA C O 1 +ATOM 12487 C CB . ALA C 3 427 ? 48.085 -58.740 -37.007 1.00 49.22 ? 445 ALA C CB 1 +ATOM 12488 N N . GLY C 3 428 ? 46.226 -59.470 -34.546 1.00 55.03 ? 446 GLY C N 1 +ATOM 12489 C CA . GLY C 3 428 ? 45.856 -59.307 -33.153 1.00 48.31 ? 446 GLY C CA 1 +ATOM 12490 C C . GLY C 3 428 ? 45.877 -60.628 -32.417 1.00 57.09 ? 446 GLY C C 1 +ATOM 12491 O O . GLY C 3 428 ? 46.295 -60.697 -31.256 1.00 53.76 ? 446 GLY C O 1 +ATOM 12492 N N . ARG C 3 429 ? 45.442 -61.701 -33.087 1.00 53.44 ? 447 ARG C N 1 +ATOM 12493 C CA . ARG C 3 429 ? 45.463 -63.008 -32.438 1.00 62.13 ? 447 ARG C CA 1 +ATOM 12494 C C . ARG C 3 429 ? 46.892 -63.520 -32.285 1.00 56.31 ? 447 ARG C C 1 +ATOM 12495 O O . ARG C 3 429 ? 47.225 -64.142 -31.274 1.00 57.47 ? 447 ARG C O 1 +ATOM 12496 C CB . ARG C 3 429 ? 44.608 -64.014 -33.214 1.00 47.87 ? 447 ARG C CB 1 +ATOM 12497 C CG . ARG C 3 429 ? 44.265 -65.245 -32.366 1.00 48.35 ? 447 ARG C CG 1 +ATOM 12498 C CD . ARG C 3 429 ? 43.683 -66.426 -33.166 1.00 54.55 ? 447 ARG C CD 1 +ATOM 12499 N NE . ARG C 3 429 ? 43.239 -67.488 -32.273 1.00 55.69 ? 447 ARG C NE 1 +ATOM 12500 C CZ . ARG C 3 429 ? 44.024 -68.457 -31.817 1.00 58.40 ? 447 ARG C CZ 1 +ATOM 12501 N NH1 . ARG C 3 429 ? 45.252 -68.624 -32.275 1.00 56.96 ? 447 ARG C NH1 1 +ATOM 12502 N NH2 . ARG C 3 429 ? 43.577 -69.255 -30.851 1.00 54.73 ? 447 ARG C NH2 1 +ATOM 12503 N N . ALA C 3 430 ? 47.748 -63.274 -33.279 1.00 53.63 ? 448 ALA C N 1 +ATOM 12504 C CA . ALA C 3 430 ? 49.131 -63.726 -33.180 1.00 55.40 ? 448 ALA C CA 1 +ATOM 12505 C C . ALA C 3 430 ? 49.829 -63.067 -32.004 1.00 56.71 ? 448 ALA C C 1 +ATOM 12506 O O . ALA C 3 430 ? 50.528 -63.730 -31.232 1.00 60.26 ? 448 ALA C O 1 +ATOM 12507 C CB . ALA C 3 430 ? 49.886 -63.427 -34.478 1.00 55.77 ? 448 ALA C CB 1 +ATOM 12508 N N . ARG C 3 431 ? 49.664 -61.750 -31.867 1.00 57.89 ? 449 ARG C N 1 +ATOM 12509 C CA . ARG C 3 431 ? 50.227 -61.033 -30.727 1.00 57.03 ? 449 ARG C CA 1 +ATOM 12510 C C . ARG C 3 431 ? 49.715 -61.595 -29.407 1.00 59.60 ? 449 ARG C C 1 +ATOM 12511 O O . ARG C 3 431 ? 50.489 -61.831 -28.473 1.00 58.97 ? 449 ARG C O 1 +ATOM 12512 C CB . ARG C 3 431 ? 49.890 -59.548 -30.840 1.00 55.17 ? 449 ARG C CB 1 +ATOM 12513 C CG . ARG C 3 431 ? 50.836 -58.787 -31.722 1.00 51.65 ? 449 ARG C CG 1 +ATOM 12514 C CD . ARG C 3 431 ? 51.953 -58.201 -30.899 1.00 50.28 ? 449 ARG C CD 1 +ATOM 12515 N NE . ARG C 3 431 ? 52.811 -57.365 -31.725 1.00 61.94 ? 449 ARG C NE 1 +ATOM 12516 C CZ . ARG C 3 431 ? 53.361 -56.227 -31.328 1.00 59.75 ? 449 ARG C CZ 1 +ATOM 12517 N NH1 . ARG C 3 431 ? 53.154 -55.749 -30.116 1.00 55.68 ? 449 ARG C NH1 1 +ATOM 12518 N NH2 . ARG C 3 431 ? 54.122 -55.543 -32.179 1.00 65.73 ? 449 ARG C NH2 1 +ATOM 12519 N N . ALA C 3 432 ? 48.406 -61.805 -29.311 1.00 52.25 ? 450 ALA C N 1 +ATOM 12520 C CA . ALA C 3 432 ? 47.824 -62.296 -28.071 1.00 53.35 ? 450 ALA C CA 1 +ATOM 12521 C C . ALA C 3 432 ? 48.294 -63.720 -27.746 1.00 62.04 ? 450 ALA C C 1 +ATOM 12522 O O . ALA C 3 432 ? 48.578 -64.040 -26.583 1.00 57.39 ? 450 ALA C O 1 +ATOM 12523 C CB . ALA C 3 432 ? 46.300 -62.227 -28.171 1.00 47.42 ? 450 ALA C CB 1 +ATOM 12524 N N . ALA C 3 433 ? 48.378 -64.591 -28.749 1.00 52.35 ? 451 ALA C N 1 +ATOM 12525 C CA . ALA C 3 433 ? 48.784 -65.971 -28.481 1.00 52.83 ? 451 ALA C CA 1 +ATOM 12526 C C . ALA C 3 433 ? 50.247 -66.041 -28.062 1.00 56.01 ? 451 ALA C C 1 +ATOM 12527 O O . ALA C 3 433 ? 50.590 -66.768 -27.128 1.00 60.99 ? 451 ALA C O 1 +ATOM 12528 C CB . ALA C 3 433 ? 48.531 -66.849 -29.702 1.00 46.04 ? 451 ALA C CB 1 +ATOM 12529 N N . ALA C 3 434 ? 51.118 -65.269 -28.716 1.00 58.13 ? 452 ALA C N 1 +ATOM 12530 C CA . ALA C 3 434 ? 52.528 -65.260 -28.337 1.00 59.44 ? 452 ALA C CA 1 +ATOM 12531 C C . ALA C 3 434 ? 52.712 -64.812 -26.895 1.00 66.25 ? 452 ALA C C 1 +ATOM 12532 O O . ALA C 3 434 ? 53.577 -65.330 -26.181 1.00 71.72 ? 452 ALA C O 1 +ATOM 12533 C CB . ALA C 3 434 ? 53.323 -64.353 -29.276 1.00 58.86 ? 452 ALA C CB 1 +ATOM 12534 N N . ALA C 3 435 ? 51.919 -63.836 -26.458 1.00 68.44 ? 453 ALA C N 1 +ATOM 12535 C CA . ALA C 3 435 ? 51.998 -63.305 -25.105 1.00 64.56 ? 453 ALA C CA 1 +ATOM 12536 C C . ALA C 3 435 ? 51.204 -64.135 -24.109 1.00 63.48 ? 453 ALA C C 1 +ATOM 12537 O O . ALA C 3 435 ? 51.403 -64.000 -22.899 1.00 67.45 ? 453 ALA C O 1 +ATOM 12538 C CB . ALA C 3 435 ? 51.515 -61.849 -25.096 1.00 59.55 ? 453 ALA C CB 1 +ATOM 12539 N N . GLY C 3 436 ? 50.311 -64.982 -24.589 1.00 62.77 ? 454 GLY C N 1 +ATOM 12540 C CA . GLY C 3 436 ? 49.686 -65.968 -23.754 1.00 52.05 ? 454 GLY C CA 1 +ATOM 12541 C C . GLY C 3 436 ? 48.303 -65.666 -23.226 1.00 62.76 ? 454 GLY C C 1 +ATOM 12542 O O . GLY C 3 436 ? 47.883 -66.320 -22.274 1.00 60.20 ? 454 GLY C O 1 +ATOM 12543 N N A PHE C 3 437 ? 47.563 -64.713 -23.806 0.40 56.33 ? 455 PHE C N 1 +ATOM 12544 N N B PHE C 3 437 ? 47.570 -64.727 -23.816 0.60 56.36 ? 455 PHE C N 1 +ATOM 12545 C CA A PHE C 3 437 ? 46.233 -64.457 -23.263 0.40 58.37 ? 455 PHE C CA 1 +ATOM 12546 C CA B PHE C 3 437 ? 46.239 -64.482 -23.284 0.60 58.50 ? 455 PHE C CA 1 +ATOM 12547 C C A PHE C 3 437 ? 45.152 -64.466 -24.341 0.40 55.15 ? 455 PHE C C 1 +ATOM 12548 C C B PHE C 3 437 ? 45.179 -64.467 -24.380 0.60 55.26 ? 455 PHE C C 1 +ATOM 12549 O O A PHE C 3 437 ? 44.116 -63.808 -24.189 0.40 51.68 ? 455 PHE C O 1 +ATOM 12550 O O B PHE C 3 437 ? 44.167 -63.774 -24.255 0.60 51.77 ? 455 PHE C O 1 +ATOM 12551 C CB A PHE C 3 437 ? 46.206 -63.155 -22.457 0.40 48.49 ? 455 PHE C CB 1 +ATOM 12552 C CB B PHE C 3 437 ? 46.212 -63.189 -22.465 0.60 48.36 ? 455 PHE C CB 1 +ATOM 12553 C CG A PHE C 3 437 ? 46.947 -62.020 -23.099 0.40 57.51 ? 455 PHE C CG 1 +ATOM 12554 C CG B PHE C 3 437 ? 46.974 -62.050 -23.084 0.60 57.58 ? 455 PHE C CG 1 +ATOM 12555 C CD1 A PHE C 3 437 ? 46.390 -61.323 -24.171 0.40 53.91 ? 455 PHE C CD1 1 +ATOM 12556 C CD1 B PHE C 3 437 ? 46.410 -61.289 -24.102 0.60 54.01 ? 455 PHE C CD1 1 +ATOM 12557 C CD2 A PHE C 3 437 ? 48.186 -61.622 -22.613 0.40 52.34 ? 455 PHE C CD2 1 +ATOM 12558 C CD2 B PHE C 3 437 ? 48.241 -61.717 -22.624 0.60 51.98 ? 455 PHE C CD2 1 +ATOM 12559 C CE1 A PHE C 3 437 ? 47.071 -60.254 -24.759 0.40 58.13 ? 455 PHE C CE1 1 +ATOM 12560 C CE1 B PHE C 3 437 ? 47.104 -60.219 -24.660 0.60 58.31 ? 455 PHE C CE1 1 +ATOM 12561 C CE2 A PHE C 3 437 ? 48.866 -60.548 -23.184 0.40 58.25 ? 455 PHE C CE2 1 +ATOM 12562 C CE2 B PHE C 3 437 ? 48.936 -60.648 -23.171 0.60 58.34 ? 455 PHE C CE2 1 +ATOM 12563 C CZ A PHE C 3 437 ? 48.314 -59.868 -24.265 0.40 56.01 ? 455 PHE C CZ 1 +ATOM 12564 C CZ B PHE C 3 437 ? 48.369 -59.898 -24.193 0.60 56.08 ? 455 PHE C CZ 1 +ATOM 12565 N N A GLU C 3 438 ? 45.349 -65.253 -25.406 0.40 52.97 ? 456 GLU C N 1 +ATOM 12566 N N B GLU C 3 438 ? 45.373 -65.256 -25.442 0.60 52.88 ? 456 GLU C N 1 +ATOM 12567 C CA A GLU C 3 438 ? 44.367 -65.325 -26.480 0.40 51.30 ? 456 GLU C CA 1 +ATOM 12568 C CA B GLU C 3 438 ? 44.388 -65.315 -26.517 0.60 51.24 ? 456 GLU C CA 1 +ATOM 12569 C C A GLU C 3 438 ? 43.124 -66.118 -26.102 0.40 52.77 ? 456 GLU C C 1 +ATOM 12570 C C B GLU C 3 438 ? 43.145 -66.117 -26.148 0.60 52.78 ? 456 GLU C C 1 +ATOM 12571 O O A GLU C 3 438 ? 42.137 -66.078 -26.844 0.40 56.85 ? 456 GLU C O 1 +ATOM 12572 O O B GLU C 3 438 ? 42.164 -66.092 -26.899 0.60 57.06 ? 456 GLU C O 1 +ATOM 12573 C CB A GLU C 3 438 ? 45.004 -65.923 -27.743 0.40 50.70 ? 456 GLU C CB 1 +ATOM 12574 C CB B GLU C 3 438 ? 45.020 -65.894 -27.788 0.60 50.56 ? 456 GLU C CB 1 +ATOM 12575 C CG A GLU C 3 438 ? 44.926 -67.435 -27.869 0.40 58.14 ? 456 GLU C CG 1 +ATOM 12576 C CG B GLU C 3 438 ? 44.948 -67.401 -27.920 0.60 58.07 ? 456 GLU C CG 1 +ATOM 12577 C CD A GLU C 3 438 ? 46.001 -68.185 -27.051 0.40 67.72 ? 456 GLU C CD 1 +ATOM 12578 C CD B GLU C 3 438 ? 46.001 -68.146 -27.091 0.60 68.01 ? 456 GLU C CD 1 +ATOM 12579 O OE1 A GLU C 3 438 ? 46.758 -67.543 -26.280 0.40 57.24 ? 456 GLU C OE1 1 +ATOM 12580 O OE1 B GLU C 3 438 ? 46.725 -67.508 -26.282 0.60 57.25 ? 456 GLU C OE1 1 +ATOM 12581 O OE2 A GLU C 3 438 ? 46.082 -69.428 -27.186 0.40 62.35 ? 456 GLU C OE2 1 +ATOM 12582 O OE2 B GLU C 3 438 ? 46.097 -69.382 -27.256 0.60 62.27 ? 456 GLU C OE2 1 +ATOM 12583 N N A LYS C 3 439 ? 43.131 -66.834 -24.980 0.40 51.94 ? 457 LYS C N 1 +ATOM 12584 N N B LYS C 3 439 ? 43.147 -66.811 -25.014 0.60 51.85 ? 457 LYS C N 1 +ATOM 12585 C CA A LYS C 3 439 ? 41.963 -67.601 -24.563 0.40 53.84 ? 457 LYS C CA 1 +ATOM 12586 C CA B LYS C 3 439 ? 41.994 -67.588 -24.581 0.60 53.78 ? 457 LYS C CA 1 +ATOM 12587 C C A LYS C 3 439 ? 41.181 -66.920 -23.451 0.40 51.58 ? 457 LYS C C 1 +ATOM 12588 C C B LYS C 3 439 ? 41.198 -66.909 -23.475 0.60 51.50 ? 457 LYS C C 1 +ATOM 12589 O O A LYS C 3 439 ? 40.155 -67.449 -23.011 0.40 55.75 ? 457 LYS C O 1 +ATOM 12590 O O B LYS C 3 439 ? 40.143 -67.420 -23.085 0.60 55.74 ? 457 LYS C O 1 +ATOM 12591 C CB A LYS C 3 439 ? 42.381 -69.012 -24.122 0.40 61.30 ? 457 LYS C CB 1 +ATOM 12592 C CB B LYS C 3 439 ? 42.442 -68.985 -24.129 0.60 61.35 ? 457 LYS C CB 1 +ATOM 12593 C CG A LYS C 3 439 ? 43.079 -69.811 -25.205 0.40 63.74 ? 457 LYS C CG 1 +ATOM 12594 C CG B LYS C 3 439 ? 43.117 -69.782 -25.238 0.60 63.73 ? 457 LYS C CG 1 +ATOM 12595 C CD A LYS C 3 439 ? 43.671 -71.109 -24.670 0.40 65.10 ? 457 LYS C CD 1 +ATOM 12596 C CD B LYS C 3 439 ? 43.729 -71.073 -24.727 0.60 65.11 ? 457 LYS C CD 1 +ATOM 12597 C CE A LYS C 3 439 ? 44.368 -71.859 -25.801 0.40 68.65 ? 457 LYS C CE 1 +ATOM 12598 C CE B LYS C 3 439 ? 44.420 -71.809 -25.864 0.60 68.61 ? 457 LYS C CE 1 +ATOM 12599 N NZ A LYS C 3 439 ? 45.121 -73.047 -25.337 0.40 90.18 ? 457 LYS C NZ 1 +ATOM 12600 N NZ B LYS C 3 439 ? 45.099 -73.046 -25.419 0.60 90.31 ? 457 LYS C NZ 1 +ATOM 12601 N N A GLY C 3 440 ? 41.629 -65.760 -22.996 0.40 45.25 ? 458 GLY C N 1 +ATOM 12602 N N B GLY C 3 440 ? 41.658 -65.768 -22.980 0.60 45.07 ? 458 GLY C N 1 +ATOM 12603 C CA A GLY C 3 440 ? 40.959 -65.040 -21.936 0.40 51.71 ? 458 GLY C CA 1 +ATOM 12604 C CA B GLY C 3 440 ? 40.974 -65.048 -21.926 0.60 51.77 ? 458 GLY C CA 1 +ATOM 12605 C C A GLY C 3 440 ? 41.923 -64.628 -20.847 0.40 54.02 ? 458 GLY C C 1 +ATOM 12606 C C B GLY C 3 440 ? 41.924 -64.634 -20.820 0.60 54.10 ? 458 GLY C C 1 +ATOM 12607 O O A GLY C 3 440 ? 43.116 -64.930 -20.877 0.40 54.06 ? 458 GLY C O 1 +ATOM 12608 O O B GLY C 3 440 ? 43.100 -64.993 -20.794 0.60 54.13 ? 458 GLY C O 1 +ATOM 12609 N N A ILE C 3 441 ? 41.374 -63.923 -19.868 0.40 52.09 ? 459 ILE C N 1 +ATOM 12610 N N B ILE C 3 441 ? 41.374 -63.855 -19.894 0.60 51.98 ? 459 ILE C N 1 +ATOM 12611 C CA A ILE C 3 441 ? 42.149 -63.363 -18.772 0.40 52.70 ? 459 ILE C CA 1 +ATOM 12612 C CA B ILE C 3 441 ? 42.143 -63.327 -18.772 0.60 52.61 ? 459 ILE C CA 1 +ATOM 12613 C C A ILE C 3 441 ? 42.228 -64.404 -17.663 0.40 57.03 ? 459 ILE C C 1 +ATOM 12614 C C B ILE C 3 441 ? 42.224 -64.383 -17.680 0.60 57.12 ? 459 ILE C C 1 +ATOM 12615 O O A ILE C 3 441 ? 41.224 -65.046 -17.329 0.40 54.64 ? 459 ILE C O 1 +ATOM 12616 O O B ILE C 3 441 ? 41.213 -64.998 -17.321 0.60 54.72 ? 459 ILE C O 1 +ATOM 12617 C CB A ILE C 3 441 ? 41.508 -62.058 -18.270 0.40 57.11 ? 459 ILE C CB 1 +ATOM 12618 C CB B ILE C 3 441 ? 41.502 -62.033 -18.249 0.60 57.23 ? 459 ILE C CB 1 +ATOM 12619 C CG1 A ILE C 3 441 ? 41.553 -60.992 -19.381 0.40 59.26 ? 459 ILE C CG1 1 +ATOM 12620 C CG1 B ILE C 3 441 ? 41.616 -60.936 -19.322 0.60 59.51 ? 459 ILE C CG1 1 +ATOM 12621 C CG2 A ILE C 3 441 ? 42.165 -61.573 -16.965 0.40 47.32 ? 459 ILE C CG2 1 +ATOM 12622 C CG2 B ILE C 3 441 ? 42.112 -61.616 -16.891 0.60 47.07 ? 459 ILE C CG2 1 +ATOM 12623 C CD1 A ILE C 3 441 ? 40.590 -59.815 -19.160 0.40 49.29 ? 459 ILE C CD1 1 +ATOM 12624 C CD1 B ILE C 3 441 ? 40.644 -59.784 -19.152 0.60 49.23 ? 459 ILE C CD1 1 +ATOM 12625 N N A ASP C 3 442 ? 43.422 -64.592 -17.106 0.40 59.91 ? 460 ASP C N 1 +ATOM 12626 N N B ASP C 3 442 ? 43.428 -64.610 -17.157 0.60 60.00 ? 460 ASP C N 1 +ATOM 12627 C CA A ASP C 3 442 ? 43.575 -65.486 -15.962 0.40 56.36 ? 460 ASP C CA 1 +ATOM 12628 C CA B ASP C 3 442 ? 43.585 -65.487 -16.003 0.60 56.30 ? 460 ASP C CA 1 +ATOM 12629 C C A ASP C 3 442 ? 42.947 -64.833 -14.733 0.40 51.95 ? 460 ASP C C 1 +ATOM 12630 C C B ASP C 3 442 ? 42.959 -64.821 -14.781 0.60 51.71 ? 460 ASP C C 1 +ATOM 12631 O O A ASP C 3 442 ? 43.362 -63.747 -14.321 0.40 55.24 ? 460 ASP C O 1 +ATOM 12632 O O B ASP C 3 442 ? 43.354 -63.714 -14.403 0.60 55.20 ? 460 ASP C O 1 +ATOM 12633 C CB A ASP C 3 442 ? 45.056 -65.805 -15.731 0.40 66.29 ? 460 ASP C CB 1 +ATOM 12634 C CB B ASP C 3 442 ? 45.063 -65.798 -15.760 0.60 66.35 ? 460 ASP C CB 1 +ATOM 12635 C CG A ASP C 3 442 ? 45.299 -66.665 -14.469 0.40 67.26 ? 460 ASP C CG 1 +ATOM 12636 C CG B ASP C 3 442 ? 45.286 -66.692 -14.533 0.60 67.31 ? 460 ASP C CG 1 +ATOM 12637 O OD1 A ASP C 3 442 ? 44.351 -67.259 -13.922 0.40 67.19 ? 460 ASP C OD1 1 +ATOM 12638 O OD1 B ASP C 3 442 ? 44.344 -67.390 -14.110 0.60 67.89 ? 460 ASP C OD1 1 +ATOM 12639 O OD2 A ASP C 3 442 ? 46.453 -66.725 -14.007 0.40 76.40 ? 460 ASP C OD2 1 +ATOM 12640 O OD2 B ASP C 3 442 ? 46.401 -66.685 -13.977 0.60 76.45 ? 460 ASP C OD2 1 +ATOM 12641 N N A ARG C 3 443 ? 41.941 -65.491 -14.146 0.40 51.65 ? 461 ARG C N 1 +ATOM 12642 N N B ARG C 3 443 ? 41.978 -65.492 -14.166 0.60 51.45 ? 461 ARG C N 1 +ATOM 12643 C CA A ARG C 3 443 ? 41.239 -64.887 -13.016 0.40 57.49 ? 461 ARG C CA 1 +ATOM 12644 C CA B ARG C 3 443 ? 41.271 -64.884 -13.041 0.60 57.42 ? 461 ARG C CA 1 +ATOM 12645 C C A ARG C 3 443 ? 42.187 -64.562 -11.864 0.40 62.47 ? 461 ARG C C 1 +ATOM 12646 C C B ARG C 3 443 ? 42.219 -64.547 -11.894 0.60 62.48 ? 461 ARG C C 1 +ATOM 12647 O O A ARG C 3 443 ? 42.050 -63.518 -11.218 0.40 70.24 ? 461 ARG C O 1 +ATOM 12648 O O B ARG C 3 443 ? 42.115 -63.474 -11.289 0.60 70.57 ? 461 ARG C O 1 +ATOM 12649 C CB A ARG C 3 443 ? 40.120 -65.807 -12.531 0.40 55.48 ? 461 ARG C CB 1 +ATOM 12650 C CB B ARG C 3 443 ? 40.159 -65.808 -12.551 0.60 55.41 ? 461 ARG C CB 1 +ATOM 12651 C CG A ARG C 3 443 ? 38.959 -65.914 -13.490 0.40 59.66 ? 461 ARG C CG 1 +ATOM 12652 C CG B ARG C 3 443 ? 39.003 -65.913 -13.500 0.60 59.75 ? 461 ARG C CG 1 +ATOM 12653 C CD A ARG C 3 443 ? 37.893 -66.821 -12.939 0.40 59.17 ? 461 ARG C CD 1 +ATOM 12654 C CD B ARG C 3 443 ? 37.968 -66.880 -12.988 0.60 59.20 ? 461 ARG C CD 1 +ATOM 12655 N NE A ARG C 3 443 ? 36.783 -66.974 -13.867 0.40 58.84 ? 461 ARG C NE 1 +ATOM 12656 N NE B ARG C 3 443 ? 36.850 -67.011 -13.911 0.60 58.84 ? 461 ARG C NE 1 +ATOM 12657 C CZ A ARG C 3 443 ? 35.676 -66.243 -13.841 0.40 60.17 ? 461 ARG C CZ 1 +ATOM 12658 C CZ B ARG C 3 443 ? 35.753 -66.269 -13.869 0.60 60.20 ? 461 ARG C CZ 1 +ATOM 12659 N NH1 A ARG C 3 443 ? 35.515 -65.251 -12.972 0.40 57.13 ? 461 ARG C NH1 1 +ATOM 12660 N NH1 B ARG C 3 443 ? 35.623 -65.271 -13.003 0.60 57.13 ? 461 ARG C NH1 1 +ATOM 12661 N NH2 A ARG C 3 443 ? 34.700 -66.520 -14.703 0.40 56.68 ? 461 ARG C NH2 1 +ATOM 12662 N NH2 B ARG C 3 443 ? 34.757 -66.539 -14.709 0.60 56.63 ? 461 ARG C NH2 1 +ATOM 12663 N N . GLU C 3 444 ? 43.146 -65.446 -11.575 1.00 60.53 ? 462 GLU C N 1 +ATOM 12664 C CA . GLU C 3 444 ? 44.055 -65.219 -10.449 1.00 62.67 ? 462 GLU C CA 1 +ATOM 12665 C C . GLU C 3 444 ? 45.187 -64.267 -10.781 1.00 57.87 ? 462 GLU C C 1 +ATOM 12666 O O . GLU C 3 444 ? 46.021 -64.001 -9.918 1.00 63.36 ? 462 GLU C O 1 +ATOM 12667 C CB . GLU C 3 444 ? 44.656 -66.536 -9.952 1.00 61.44 ? 462 GLU C CB 1 +ATOM 12668 C CG . GLU C 3 444 ? 43.906 -67.766 -10.398 1.00 82.44 ? 462 GLU C CG 1 +ATOM 12669 C CD . GLU C 3 444 ? 42.565 -67.919 -9.711 1.00 77.45 ? 462 GLU C CD 1 +ATOM 12670 O OE1 . GLU C 3 444 ? 42.284 -67.156 -8.758 1.00 74.11 ? 462 GLU C OE1 1 +ATOM 12671 O OE2 . GLU C 3 444 ? 41.791 -68.813 -10.136 1.00 100.57 ? 462 GLU C OE2 1 +ATOM 12672 N N . SER C 3 445 ? 45.240 -63.747 -12.002 1.00 56.08 ? 463 SER C N 1 +ATOM 12673 C CA . SER C 3 445 ? 46.378 -62.956 -12.447 1.00 63.89 ? 463 SER C CA 1 +ATOM 12674 C C . SER C 3 445 ? 45.922 -61.792 -13.334 1.00 66.84 ? 463 SER C C 1 +ATOM 12675 O O . SER C 3 445 ? 46.674 -61.340 -14.205 1.00 61.13 ? 463 SER C O 1 +ATOM 12676 C CB . SER C 3 445 ? 47.379 -63.854 -13.194 1.00 57.78 ? 463 SER C CB 1 +ATOM 12677 O OG . SER C 3 445 ? 48.648 -63.243 -13.346 1.00 87.37 ? 463 SER C OG 1 +ATOM 12678 N N A GLU C 3 446 ? 44.701 -61.293 -13.111 0.40 58.44 ? 464 GLU C N 1 +ATOM 12679 N N B GLU C 3 446 ? 44.697 -61.320 -13.143 0.60 58.45 ? 464 GLU C N 1 +ATOM 12680 C CA A GLU C 3 446 ? 44.116 -60.253 -13.954 0.40 56.12 ? 464 GLU C CA 1 +ATOM 12681 C CA B GLU C 3 446 ? 44.122 -60.270 -13.973 0.60 56.12 ? 464 GLU C CA 1 +ATOM 12682 C C A GLU C 3 446 ? 44.982 -59.000 -13.929 0.40 55.11 ? 464 GLU C C 1 +ATOM 12683 C C B GLU C 3 446 ? 44.984 -59.012 -13.936 0.60 55.08 ? 464 GLU C C 1 +ATOM 12684 O O A GLU C 3 446 ? 45.096 -58.343 -12.886 0.40 53.93 ? 464 GLU C O 1 +ATOM 12685 O O B GLU C 3 446 ? 45.080 -58.347 -12.899 0.60 53.86 ? 464 GLU C O 1 +ATOM 12686 C CB A GLU C 3 446 ? 42.696 -59.915 -13.502 0.40 53.41 ? 464 GLU C CB 1 +ATOM 12687 C CB B GLU C 3 446 ? 42.698 -59.960 -13.519 0.60 53.31 ? 464 GLU C CB 1 +ATOM 12688 C CG A GLU C 3 446 ? 42.050 -58.805 -14.327 0.40 56.71 ? 464 GLU C CG 1 +ATOM 12689 C CG B GLU C 3 446 ? 42.078 -58.747 -14.202 0.60 56.67 ? 464 GLU C CG 1 +ATOM 12690 C CD A GLU C 3 446 ? 40.540 -58.777 -14.164 0.40 55.41 ? 464 GLU C CD 1 +ATOM 12691 C CD B GLU C 3 446 ? 40.562 -58.787 -14.164 0.60 55.52 ? 464 GLU C CD 1 +ATOM 12692 O OE1 A GLU C 3 446 ? 40.006 -59.517 -13.308 0.40 52.70 ? 464 GLU C OE1 1 +ATOM 12693 O OE1 B GLU C 3 446 ? 39.992 -59.563 -13.356 0.60 52.65 ? 464 GLU C OE1 1 +ATOM 12694 O OE2 A GLU C 3 446 ? 39.890 -58.019 -14.903 0.40 55.48 ? 464 GLU C OE2 1 +ATOM 12695 O OE2 B GLU C 3 446 ? 39.942 -58.051 -14.951 0.60 55.60 ? 464 GLU C OE2 1 +ATOM 12696 N N . PRO C 3 447 ? 45.622 -58.654 -15.052 1.00 54.31 ? 465 PRO C N 1 +ATOM 12697 C CA . PRO C 3 447 ? 46.573 -57.527 -15.025 1.00 58.57 ? 465 PRO C CA 1 +ATOM 12698 C C . PRO C 3 447 ? 45.995 -56.208 -14.507 1.00 59.99 ? 465 PRO C C 1 +ATOM 12699 O O . PRO C 3 447 ? 46.722 -55.467 -13.833 1.00 58.55 ? 465 PRO C O 1 +ATOM 12700 C CB . PRO C 3 447 ? 47.026 -57.420 -16.489 1.00 53.58 ? 465 PRO C CB 1 +ATOM 12701 C CG . PRO C 3 447 ? 46.766 -58.756 -17.081 1.00 52.63 ? 465 PRO C CG 1 +ATOM 12702 C CD . PRO C 3 447 ? 45.579 -59.329 -16.360 1.00 50.16 ? 465 PRO C CD 1 +ATOM 12703 N N A VAL C 3 448 ? 44.713 -55.907 -14.765 0.40 58.06 ? 466 VAL C N 1 +ATOM 12704 N N B VAL C 3 448 ? 44.722 -55.909 -14.767 0.60 58.10 ? 466 VAL C N 1 +ATOM 12705 C CA A VAL C 3 448 ? 44.167 -54.610 -14.361 0.40 59.47 ? 466 VAL C CA 1 +ATOM 12706 C CA B VAL C 3 448 ? 44.193 -54.610 -14.357 0.60 59.48 ? 466 VAL C CA 1 +ATOM 12707 C C A VAL C 3 448 ? 44.058 -54.507 -12.841 0.40 63.09 ? 466 VAL C C 1 +ATOM 12708 C C B VAL C 3 448 ? 44.091 -54.518 -12.840 0.60 63.15 ? 466 VAL C C 1 +ATOM 12709 O O A VAL C 3 448 ? 44.129 -53.402 -12.277 0.40 60.42 ? 466 VAL C O 1 +ATOM 12710 O O B VAL C 3 448 ? 44.211 -53.427 -12.265 0.60 60.48 ? 466 VAL C O 1 +ATOM 12711 C CB A VAL C 3 448 ? 42.817 -54.368 -15.068 0.40 58.74 ? 466 VAL C CB 1 +ATOM 12712 C CB B VAL C 3 448 ? 42.849 -54.352 -15.068 0.60 58.79 ? 466 VAL C CB 1 +ATOM 12713 C CG1 A VAL C 3 448 ? 41.917 -53.418 -14.290 0.40 58.22 ? 466 VAL C CG1 1 +ATOM 12714 C CG1 B VAL C 3 448 ? 42.011 -53.307 -14.343 0.60 58.17 ? 466 VAL C CG1 1 +ATOM 12715 C CG2 A VAL C 3 448 ? 43.073 -53.817 -16.468 0.40 55.67 ? 466 VAL C CG2 1 +ATOM 12716 C CG2 B VAL C 3 448 ? 43.119 -53.903 -16.513 0.60 55.70 ? 466 VAL C CG2 1 +ATOM 12717 N N A LEU C 3 449 ? 43.924 -55.641 -12.151 0.40 64.47 ? 467 LEU C N 1 +ATOM 12718 N N B LEU C 3 449 ? 43.918 -55.653 -12.162 0.60 64.56 ? 467 LEU C N 1 +ATOM 12719 C CA A LEU C 3 449 ? 43.830 -55.618 -10.695 0.40 62.51 ? 467 LEU C CA 1 +ATOM 12720 C CA B LEU C 3 449 ? 43.827 -55.645 -10.708 0.60 62.48 ? 467 LEU C CA 1 +ATOM 12721 C C A LEU C 3 449 ? 45.147 -55.246 -10.023 0.40 61.34 ? 467 LEU C C 1 +ATOM 12722 C C B LEU C 3 449 ? 45.141 -55.257 -10.032 0.60 61.28 ? 467 LEU C C 1 +ATOM 12723 O O A LEU C 3 449 ? 45.137 -54.861 -8.852 0.40 67.87 ? 467 LEU C O 1 +ATOM 12724 O O B LEU C 3 449 ? 45.124 -54.873 -8.861 0.60 67.95 ? 467 LEU C O 1 +ATOM 12725 C CB A LEU C 3 449 ? 43.343 -56.977 -10.175 0.40 63.43 ? 467 LEU C CB 1 +ATOM 12726 C CB B LEU C 3 449 ? 43.354 -57.013 -10.213 0.60 63.41 ? 467 LEU C CB 1 +ATOM 12727 C CG A LEU C 3 449 ? 41.935 -57.337 -10.653 0.40 64.36 ? 467 LEU C CG 1 +ATOM 12728 C CG B LEU C 3 449 ? 41.936 -57.358 -10.673 0.60 64.39 ? 467 LEU C CG 1 +ATOM 12729 C CD1 A LEU C 3 449 ? 41.453 -58.583 -9.965 0.40 59.27 ? 467 LEU C CD1 1 +ATOM 12730 C CD1 B LEU C 3 449 ? 41.439 -58.580 -9.956 0.60 59.21 ? 467 LEU C CD1 1 +ATOM 12731 C CD2 A LEU C 3 449 ? 40.965 -56.185 -10.411 0.40 65.26 ? 467 LEU C CD2 1 +ATOM 12732 C CD2 B LEU C 3 449 ? 40.995 -56.185 -10.421 0.60 65.36 ? 467 LEU C CD2 1 +ATOM 12733 N N . SER C 3 450 ? 46.268 -55.326 -10.735 1.00 61.93 ? 468 SER C N 1 +ATOM 12734 C CA . SER C 3 450 ? 47.560 -54.921 -10.191 1.00 63.29 ? 468 SER C CA 1 +ATOM 12735 C C . SER C 3 450 ? 47.960 -53.506 -10.582 1.00 63.60 ? 468 SER C C 1 +ATOM 12736 O O . SER C 3 450 ? 49.080 -53.092 -10.278 1.00 66.83 ? 468 SER C O 1 +ATOM 12737 C CB . SER C 3 450 ? 48.654 -55.886 -10.654 1.00 67.94 ? 468 SER C CB 1 +ATOM 12738 O OG . SER C 3 450 ? 48.288 -57.219 -10.362 1.00 81.99 ? 468 SER C OG 1 +ATOM 12739 N N . MET C 3 451 ? 47.107 -52.782 -11.266 1.00 65.60 ? 469 MET C N 1 +ATOM 12740 C CA . MET C 3 451 ? 47.452 -51.443 -11.702 1.00 61.01 ? 469 MET C CA 1 +ATOM 12741 C C . MET C 3 451 ? 46.804 -50.406 -10.799 1.00 63.01 ? 469 MET C C 1 +ATOM 12742 O O . MET C 3 451 ? 45.724 -50.647 -10.247 1.00 62.38 ? 469 MET C O 1 +ATOM 12743 C CB . MET C 3 451 ? 46.994 -51.212 -13.143 1.00 63.68 ? 469 MET C CB 1 +ATOM 12744 C CG . MET C 3 451 ? 47.587 -52.193 -14.127 1.00 55.49 ? 469 MET C CG 1 +ATOM 12745 S SD . MET C 3 451 ? 46.923 -51.940 -15.778 1.00 61.16 ? 469 MET C SD 1 +ATOM 12746 C CE . MET C 3 451 ? 47.745 -53.260 -16.677 1.00 46.91 ? 469 MET C CE 1 +ATOM 12747 N N . PRO C 3 452 ? 47.440 -49.246 -10.623 1.00 60.83 ? 470 PRO C N 1 +ATOM 12748 C CA . PRO C 3 452 ? 46.786 -48.166 -9.878 1.00 57.37 ? 470 PRO C CA 1 +ATOM 12749 C C . PRO C 3 452 ? 45.500 -47.746 -10.574 1.00 64.65 ? 470 PRO C C 1 +ATOM 12750 O O . PRO C 3 452 ? 45.366 -47.848 -11.796 1.00 65.87 ? 470 PRO C O 1 +ATOM 12751 C CB . PRO C 3 452 ? 47.827 -47.037 -9.890 1.00 53.34 ? 470 PRO C CB 1 +ATOM 12752 C CG . PRO C 3 452 ? 48.701 -47.339 -11.067 1.00 67.54 ? 470 PRO C CG 1 +ATOM 12753 C CD . PRO C 3 452 ? 48.750 -48.837 -11.158 1.00 53.56 ? 470 PRO C CD 1 +ATOM 12754 N N . SER C 3 453 ? 44.541 -47.293 -9.782 1.00 54.74 ? 471 SER C N 1 +ATOM 12755 C CA . SER C 3 453 ? 43.283 -46.830 -10.339 1.00 66.18 ? 471 SER C CA 1 +ATOM 12756 C C . SER C 3 453 ? 43.506 -45.533 -11.111 1.00 58.68 ? 471 SER C C 1 +ATOM 12757 O O . SER C 3 453 ? 44.463 -44.801 -10.860 1.00 69.50 ? 471 SER C O 1 +ATOM 12758 C CB . SER C 3 453 ? 42.257 -46.628 -9.226 1.00 59.12 ? 471 SER C CB 1 +ATOM 12759 O OG . SER C 3 453 ? 42.228 -45.259 -8.847 1.00 80.31 ? 471 SER C OG 1 +ATOM 12760 N N . LEU C 3 454 ? 42.624 -45.254 -12.072 1.00 60.72 ? 472 LEU C N 1 +ATOM 12761 C CA . LEU C 3 454 ? 42.803 -44.047 -12.877 1.00 66.31 ? 472 LEU C CA 1 +ATOM 12762 C C . LEU C 3 454 ? 42.405 -42.792 -12.112 1.00 63.09 ? 472 LEU C C 1 +ATOM 12763 O O . LEU C 3 454 ? 42.913 -41.706 -12.401 1.00 67.71 ? 472 LEU C O 1 +ATOM 12764 C CB . LEU C 3 454 ? 42.003 -44.131 -14.181 1.00 59.46 ? 472 LEU C CB 1 +ATOM 12765 C CG . LEU C 3 454 ? 42.401 -45.237 -15.168 1.00 68.04 ? 472 LEU C CG 1 +ATOM 12766 C CD1 . LEU C 3 454 ? 41.369 -45.319 -16.272 1.00 61.04 ? 472 LEU C CD1 1 +ATOM 12767 C CD2 . LEU C 3 454 ? 43.793 -45.018 -15.742 1.00 56.79 ? 472 LEU C CD2 1 +ATOM 12768 N N . ASP C 3 455 ? 41.500 -42.916 -11.152 1.00 58.06 ? 473 ASP C N 1 +ATOM 12769 C CA . ASP C 3 455 ? 41.039 -41.773 -10.387 1.00 64.75 ? 473 ASP C CA 1 +ATOM 12770 C C . ASP C 3 455 ? 40.329 -42.248 -9.131 1.00 74.31 ? 473 ASP C C 1 +ATOM 12771 O O . ASP C 3 455 ? 39.810 -41.436 -8.375 1.00 85.20 ? 473 ASP C O 1 +ATOM 12772 C CB . ASP C 3 455 ? 40.110 -40.881 -11.223 1.00 63.58 ? 473 ASP C CB 1 +ATOM 12773 C CG . ASP C 3 455 ? 38.932 -41.642 -11.839 1.00 66.13 ? 473 ASP C CG 1 +ATOM 12774 O OD1 . ASP C 3 455 ? 38.824 -42.887 -11.692 1.00 65.93 ? 473 ASP C OD1 1 +ATOM 12775 O OD2 . ASP C 3 455 ? 38.099 -40.977 -12.490 1.00 66.83 ? 473 ASP C OD2 1 +ATOM 12776 O OXT . ASP C 3 455 ? 40.250 -43.446 -8.852 1.00 73.66 ? 473 ASP C OXT 1 +ATOM 12777 N N . GLU D 4 1 ? -12.978 -74.771 -6.994 1.00 147.35 ? 11 GLU D N 1 +ATOM 12778 C CA . GLU D 4 1 ? -13.664 -74.696 -8.286 1.00 157.58 ? 11 GLU D CA 1 +ATOM 12779 C C . GLU D 4 1 ? -12.754 -75.107 -9.444 1.00 138.51 ? 11 GLU D C 1 +ATOM 12780 O O . GLU D 4 1 ? -11.857 -74.360 -9.846 1.00 145.82 ? 11 GLU D O 1 +ATOM 12781 C CB . GLU D 4 1 ? -14.216 -73.275 -8.520 1.00 138.15 ? 11 GLU D CB 1 +ATOM 12782 C CG . GLU D 4 1 ? -15.358 -72.841 -7.604 1.00 141.89 ? 11 GLU D CG 1 +ATOM 12783 C CD . GLU D 4 1 ? -16.078 -71.598 -8.121 1.00 142.55 ? 11 GLU D CD 1 +ATOM 12784 O OE1 . GLU D 4 1 ? -15.393 -70.595 -8.442 1.00 126.26 ? 11 GLU D OE1 1 +ATOM 12785 O OE2 . GLU D 4 1 ? -17.326 -71.628 -8.230 1.00 128.57 ? 11 GLU D OE2 1 +ATOM 12786 N N . ARG D 4 2 ? -12.986 -76.299 -9.984 1.00 141.33 ? 12 ARG D N 1 +ATOM 12787 C CA . ARG D 4 2 ? -12.260 -76.831 -11.148 1.00 111.71 ? 12 ARG D CA 1 +ATOM 12788 C C . ARG D 4 2 ? -13.262 -77.055 -12.275 1.00 106.17 ? 12 ARG D C 1 +ATOM 12789 O O . ARG D 4 2 ? -13.509 -78.194 -12.697 1.00 97.14 ? 12 ARG D O 1 +ATOM 12790 C CB . ARG D 4 2 ? -11.510 -78.131 -10.773 1.00 138.50 ? 12 ARG D CB 1 +ATOM 12791 C CG . ARG D 4 2 ? -10.534 -77.984 -9.608 1.00 159.43 ? 12 ARG D CG 1 +ATOM 12792 C CD . ARG D 4 2 ? -9.425 -76.989 -9.922 1.00 124.77 ? 12 ARG D CD 1 +ATOM 12793 N NE . ARG D 4 2 ? -8.955 -77.121 -11.297 1.00 131.63 ? 12 ARG D NE 1 +ATOM 12794 C CZ . ARG D 4 2 ? -8.203 -78.118 -11.743 1.00 135.25 ? 12 ARG D CZ 1 +ATOM 12795 N NH1 . ARG D 4 2 ? -7.867 -79.134 -10.962 1.00 141.06 ? 12 ARG D NH1 1 +ATOM 12796 N NH2 . ARG D 4 2 ? -7.771 -78.093 -13.001 1.00 102.11 ? 12 ARG D NH2 1 +ATOM 12797 N N . GLY D 4 3 ? -13.817 -75.955 -12.767 1.00 77.74 ? 13 GLY D N 1 +ATOM 12798 C CA . GLY D 4 3 ? -14.774 -75.986 -13.848 1.00 69.34 ? 13 GLY D CA 1 +ATOM 12799 C C . GLY D 4 3 ? -14.089 -76.031 -15.200 1.00 73.43 ? 13 GLY D C 1 +ATOM 12800 O O . GLY D 4 3 ? -12.882 -76.242 -15.323 1.00 75.06 ? 13 GLY D O 1 +ATOM 12801 N N . TRP D 4 4 ? -14.895 -75.832 -16.241 1.00 64.44 ? 14 TRP D N 1 +ATOM 12802 C CA . TRP D 4 4 ? -14.371 -75.950 -17.595 1.00 73.15 ? 14 TRP D CA 1 +ATOM 12803 C C . TRP D 4 4 ? -13.370 -74.847 -17.913 1.00 77.12 ? 14 TRP D C 1 +ATOM 12804 O O . TRP D 4 4 ? -12.449 -75.071 -18.705 1.00 64.39 ? 14 TRP D O 1 +ATOM 12805 C CB . TRP D 4 4 ? -15.517 -75.930 -18.598 1.00 61.54 ? 14 TRP D CB 1 +ATOM 12806 C CG . TRP D 4 4 ? -16.207 -74.623 -18.639 1.00 80.51 ? 14 TRP D CG 1 +ATOM 12807 C CD1 . TRP D 4 4 ? -17.293 -74.248 -17.907 1.00 73.38 ? 14 TRP D CD1 1 +ATOM 12808 C CD2 . TRP D 4 4 ? -15.855 -73.493 -19.448 1.00 68.54 ? 14 TRP D CD2 1 +ATOM 12809 N NE1 . TRP D 4 4 ? -17.643 -72.956 -18.212 1.00 90.35 ? 14 TRP D NE1 1 +ATOM 12810 C CE2 . TRP D 4 4 ? -16.775 -72.469 -19.156 1.00 86.52 ? 14 TRP D CE2 1 +ATOM 12811 C CE3 . TRP D 4 4 ? -14.853 -73.252 -20.393 1.00 84.12 ? 14 TRP D CE3 1 +ATOM 12812 C CZ2 . TRP D 4 4 ? -16.725 -71.218 -19.774 1.00 84.22 ? 14 TRP D CZ2 1 +ATOM 12813 C CZ3 . TRP D 4 4 ? -14.804 -72.008 -21.009 1.00 80.51 ? 14 TRP D CZ3 1 +ATOM 12814 C CH2 . TRP D 4 4 ? -15.736 -71.009 -20.696 1.00 70.11 ? 14 TRP D CH2 1 +ATOM 12815 N N . PHE D 4 5 ? -13.535 -73.658 -17.316 1.00 68.03 ? 15 PHE D N 1 +ATOM 12816 C CA . PHE D 4 5 ? -12.575 -72.581 -17.535 1.00 65.37 ? 15 PHE D CA 1 +ATOM 12817 C C . PHE D 4 5 ? -11.189 -72.991 -17.066 1.00 66.64 ? 15 PHE D C 1 +ATOM 12818 O O . PHE D 4 5 ? -10.193 -72.802 -17.777 1.00 59.15 ? 15 PHE D O 1 +ATOM 12819 C CB . PHE D 4 5 ? -13.024 -71.305 -16.815 1.00 70.91 ? 15 PHE D CB 1 +ATOM 12820 C CG . PHE D 4 5 ? -12.072 -70.155 -16.982 1.00 68.67 ? 15 PHE D CG 1 +ATOM 12821 C CD1 . PHE D 4 5 ? -11.032 -69.948 -16.075 1.00 70.22 ? 15 PHE D CD1 1 +ATOM 12822 C CD2 . PHE D 4 5 ? -12.206 -69.283 -18.052 1.00 70.85 ? 15 PHE D CD2 1 +ATOM 12823 C CE1 . PHE D 4 5 ? -10.147 -68.899 -16.239 1.00 66.56 ? 15 PHE D CE1 1 +ATOM 12824 C CE2 . PHE D 4 5 ? -11.324 -68.229 -18.220 1.00 58.88 ? 15 PHE D CE2 1 +ATOM 12825 C CZ . PHE D 4 5 ? -10.293 -68.039 -17.323 1.00 64.14 ? 15 PHE D CZ 1 +ATOM 12826 N N . ASP D 4 6 ? -11.111 -73.567 -15.864 1.00 65.72 ? 16 ASP D N 1 +ATOM 12827 C CA . ASP D 4 6 ? -9.823 -73.931 -15.287 1.00 59.92 ? 16 ASP D CA 1 +ATOM 12828 C C . ASP D 4 6 ? -9.198 -75.118 -16.009 1.00 62.07 ? 16 ASP D C 1 +ATOM 12829 O O . ASP D 4 6 ? -7.969 -75.188 -16.134 1.00 67.93 ? 16 ASP D O 1 +ATOM 12830 C CB . ASP D 4 6 ? -9.995 -74.209 -13.793 1.00 59.49 ? 16 ASP D CB 1 +ATOM 12831 C CG . ASP D 4 6 ? -10.527 -73.002 -13.038 1.00 78.81 ? 16 ASP D CG 1 +ATOM 12832 O OD1 . ASP D 4 6 ? -9.788 -71.999 -12.944 1.00 76.32 ? 16 ASP D OD1 1 +ATOM 12833 O OD2 . ASP D 4 6 ? -11.687 -73.034 -12.568 1.00 82.34 ? 16 ASP D OD2 1 +ATOM 12834 N N . ILE D 4 7 ? -10.018 -76.056 -16.485 1.00 71.22 ? 17 ILE D N 1 +ATOM 12835 C CA . ILE D 4 7 ? -9.487 -77.170 -17.266 1.00 77.46 ? 17 ILE D CA 1 +ATOM 12836 C C . ILE D 4 7 ? -8.933 -76.662 -18.592 1.00 61.86 ? 17 ILE D C 1 +ATOM 12837 O O . ILE D 4 7 ? -7.869 -77.094 -19.049 1.00 61.56 ? 17 ILE D O 1 +ATOM 12838 C CB . ILE D 4 7 ? -10.576 -78.246 -17.471 1.00 85.23 ? 17 ILE D CB 1 +ATOM 12839 C CG1 . ILE D 4 7 ? -11.097 -78.744 -16.122 1.00 80.52 ? 17 ILE D CG1 1 +ATOM 12840 C CG2 . ILE D 4 7 ? -10.056 -79.413 -18.317 1.00 66.38 ? 17 ILE D CG2 1 +ATOM 12841 C CD1 . ILE D 4 7 ? -10.019 -79.340 -15.257 1.00 89.62 ? 17 ILE D CD1 1 +ATOM 12842 N N . LEU D 4 8 ? -9.646 -75.732 -19.229 1.00 59.49 ? 18 LEU D N 1 +ATOM 12843 C CA . LEU D 4 8 ? -9.132 -75.132 -20.457 1.00 71.22 ? 18 LEU D CA 1 +ATOM 12844 C C . LEU D 4 8 ? -7.823 -74.396 -20.187 1.00 64.57 ? 18 LEU D C 1 +ATOM 12845 O O . LEU D 4 8 ? -6.848 -74.541 -20.941 1.00 57.69 ? 18 LEU D O 1 +ATOM 12846 C CB . LEU D 4 8 ? -10.185 -74.204 -21.062 1.00 57.82 ? 18 LEU D CB 1 +ATOM 12847 C CG . LEU D 4 8 ? -9.871 -73.551 -22.411 1.00 64.89 ? 18 LEU D CG 1 +ATOM 12848 C CD1 . LEU D 4 8 ? -9.349 -74.576 -23.406 1.00 61.25 ? 18 LEU D CD1 1 +ATOM 12849 C CD2 . LEU D 4 8 ? -11.121 -72.849 -22.960 1.00 61.71 ? 18 LEU D CD2 1 +ATOM 12850 N N . ASP D 4 9 ? -7.775 -73.638 -19.085 1.00 56.45 ? 19 ASP D N 1 +ATOM 12851 C CA . ASP D 4 9 ? -6.557 -72.934 -18.702 1.00 57.27 ? 19 ASP D CA 1 +ATOM 12852 C C . ASP D 4 9 ? -5.386 -73.904 -18.584 1.00 74.68 ? 19 ASP D C 1 +ATOM 12853 O O . ASP D 4 9 ? -4.280 -73.619 -19.070 1.00 59.86 ? 19 ASP D O 1 +ATOM 12854 C CB . ASP D 4 9 ? -6.799 -72.183 -17.387 1.00 56.62 ? 19 ASP D CB 1 +ATOM 12855 C CG . ASP D 4 9 ? -5.673 -71.216 -17.039 1.00 75.78 ? 19 ASP D CG 1 +ATOM 12856 O OD1 . ASP D 4 9 ? -5.717 -70.048 -17.490 1.00 62.79 ? 19 ASP D OD1 1 +ATOM 12857 O OD2 . ASP D 4 9 ? -4.742 -71.626 -16.312 1.00 64.68 ? 19 ASP D OD2 1 +ATOM 12858 N N . ASP D 4 10 ? -5.632 -75.071 -17.967 1.00 60.49 ? 20 ASP D N 1 +ATOM 12859 C CA . ASP D 4 10 ? -4.630 -76.132 -17.866 1.00 58.73 ? 20 ASP D CA 1 +ATOM 12860 C C . ASP D 4 10 ? -4.086 -76.525 -19.227 1.00 66.66 ? 20 ASP D C 1 +ATOM 12861 O O . ASP D 4 10 ? -2.871 -76.672 -19.407 1.00 60.85 ? 20 ASP D O 1 +ATOM 12862 C CB . ASP D 4 10 ? -5.236 -77.381 -17.216 1.00 74.26 ? 20 ASP D CB 1 +ATOM 12863 C CG . ASP D 4 10 ? -5.250 -77.329 -15.712 1.00 68.27 ? 20 ASP D CG 1 +ATOM 12864 O OD1 . ASP D 4 10 ? -4.696 -76.380 -15.119 1.00 71.62 ? 20 ASP D OD1 1 +ATOM 12865 O OD2 . ASP D 4 10 ? -5.830 -78.264 -15.119 1.00 94.23 ? 20 ASP D OD2 1 +ATOM 12866 N N . TRP D 4 11 ? -4.983 -76.788 -20.179 1.00 53.22 ? 21 TRP D N 1 +ATOM 12867 C CA . TRP D 4 11 ? -4.534 -77.294 -21.461 1.00 55.33 ? 21 TRP D CA 1 +ATOM 12868 C C . TRP D 4 11 ? -3.777 -76.214 -22.240 1.00 65.80 ? 21 TRP D C 1 +ATOM 12869 O O . TRP D 4 11 ? -2.742 -76.497 -22.860 1.00 61.13 ? 21 TRP D O 1 +ATOM 12870 C CB . TRP D 4 11 ? -5.729 -77.826 -22.261 1.00 55.65 ? 21 TRP D CB 1 +ATOM 12871 C CG . TRP D 4 11 ? -5.280 -78.521 -23.514 1.00 65.06 ? 21 TRP D CG 1 +ATOM 12872 C CD1 . TRP D 4 11 ? -4.914 -79.828 -23.637 1.00 66.92 ? 21 TRP D CD1 1 +ATOM 12873 C CD2 . TRP D 4 11 ? -5.098 -77.931 -24.812 1.00 74.74 ? 21 TRP D CD2 1 +ATOM 12874 N NE1 . TRP D 4 11 ? -4.538 -80.097 -24.935 1.00 71.30 ? 21 TRP D NE1 1 +ATOM 12875 C CE2 . TRP D 4 11 ? -4.638 -78.951 -25.675 1.00 65.80 ? 21 TRP D CE2 1 +ATOM 12876 C CE3 . TRP D 4 11 ? -5.287 -76.647 -25.329 1.00 68.51 ? 21 TRP D CE3 1 +ATOM 12877 C CZ2 . TRP D 4 11 ? -4.352 -78.722 -27.021 1.00 77.75 ? 21 TRP D CZ2 1 +ATOM 12878 C CZ3 . TRP D 4 11 ? -5.010 -76.424 -26.677 1.00 69.15 ? 21 TRP D CZ3 1 +ATOM 12879 C CH2 . TRP D 4 11 ? -4.548 -77.457 -27.505 1.00 56.73 ? 21 TRP D CH2 1 +ATOM 12880 N N . LEU D 4 12 ? -4.265 -74.966 -22.200 1.00 57.78 ? 22 LEU D N 1 +ATOM 12881 C CA . LEU D 4 12 ? -3.613 -73.887 -22.939 1.00 66.12 ? 22 LEU D CA 1 +ATOM 12882 C C . LEU D 4 12 ? -2.189 -73.651 -22.448 1.00 63.69 ? 22 LEU D C 1 +ATOM 12883 O O . LEU D 4 12 ? -1.322 -73.264 -23.234 1.00 55.89 ? 22 LEU D O 1 +ATOM 12884 C CB . LEU D 4 12 ? -4.443 -72.603 -22.837 1.00 53.94 ? 22 LEU D CB 1 +ATOM 12885 C CG . LEU D 4 12 ? -5.814 -72.699 -23.524 1.00 62.51 ? 22 LEU D CG 1 +ATOM 12886 C CD1 . LEU D 4 12 ? -6.765 -71.627 -23.023 1.00 57.19 ? 22 LEU D CD1 1 +ATOM 12887 C CD2 . LEU D 4 12 ? -5.686 -72.648 -25.062 1.00 47.69 ? 22 LEU D CD2 1 +ATOM 12888 N N . LYS D 4 13 ? -1.911 -73.942 -21.174 1.00 59.17 ? 23 LYS D N 1 +ATOM 12889 C CA . LYS D 4 13 ? -0.630 -73.603 -20.569 1.00 71.47 ? 23 LYS D CA 1 +ATOM 12890 C C . LYS D 4 13 ? 0.304 -74.800 -20.381 1.00 70.26 ? 23 LYS D C 1 +ATOM 12891 O O . LYS D 4 13 ? 1.271 -74.693 -19.616 1.00 62.45 ? 23 LYS D O 1 +ATOM 12892 C CB . LYS D 4 13 ? -0.865 -72.894 -19.239 1.00 70.28 ? 23 LYS D CB 1 +ATOM 12893 C CG . LYS D 4 13 ? -1.395 -71.475 -19.463 1.00 60.98 ? 23 LYS D CG 1 +ATOM 12894 C CD . LYS D 4 13 ? -1.877 -70.864 -18.182 1.00 63.54 ? 23 LYS D CD 1 +ATOM 12895 C CE . LYS D 4 13 ? -2.515 -69.525 -18.471 1.00 61.56 ? 23 LYS D CE 1 +ATOM 12896 N NZ . LYS D 4 13 ? -3.124 -68.957 -17.256 1.00 63.02 ? 23 LYS D NZ 1 +ATOM 12897 N N . ARG D 4 14 ? 0.048 -75.918 -21.066 1.00 52.64 ? 24 ARG D N 1 +ATOM 12898 C CA . ARG D 4 14 ? 0.956 -77.059 -21.027 1.00 68.63 ? 24 ARG D CA 1 +ATOM 12899 C C . ARG D 4 14 ? 2.324 -76.696 -21.594 1.00 75.01 ? 24 ARG D C 1 +ATOM 12900 O O . ARG D 4 14 ? 2.432 -75.992 -22.603 1.00 71.39 ? 24 ARG D O 1 +ATOM 12901 C CB . ARG D 4 14 ? 0.378 -78.230 -21.834 1.00 66.93 ? 24 ARG D CB 1 +ATOM 12902 C CG . ARG D 4 14 ? -0.850 -78.874 -21.215 1.00 88.01 ? 24 ARG D CG 1 +ATOM 12903 C CD . ARG D 4 14 ? -0.466 -80.081 -20.375 1.00 104.85 ? 24 ARG D CD 1 +ATOM 12904 N NE . ARG D 4 14 ? -0.109 -81.223 -21.210 1.00 104.50 ? 24 ARG D NE 1 +ATOM 12905 C CZ . ARG D 4 14 ? -0.988 -82.068 -21.728 1.00 97.69 ? 24 ARG D CZ 1 +ATOM 12906 N NH1 . ARG D 4 14 ? -2.282 -81.953 -21.485 1.00 101.19 ? 24 ARG D NH1 1 +ATOM 12907 N NH2 . ARG D 4 14 ? -0.559 -83.047 -22.519 1.00 112.73 ? 24 ARG D NH2 1 +ATOM 12908 N N . ASP D 4 15 ? 3.373 -77.210 -20.964 1.00 58.53 ? 25 ASP D N 1 +ATOM 12909 C CA . ASP D 4 15 ? 4.718 -77.017 -21.484 1.00 59.77 ? 25 ASP D CA 1 +ATOM 12910 C C . ASP D 4 15 ? 4.941 -77.865 -22.731 1.00 61.69 ? 25 ASP D C 1 +ATOM 12911 O O . ASP D 4 15 ? 5.370 -79.014 -22.628 1.00 81.63 ? 25 ASP D O 1 +ATOM 12912 C CB . ASP D 4 15 ? 5.753 -77.361 -20.415 1.00 64.07 ? 25 ASP D CB 1 +ATOM 12913 C CG . ASP D 4 15 ? 7.010 -76.523 -20.530 1.00 79.21 ? 25 ASP D CG 1 +ATOM 12914 O OD1 . ASP D 4 15 ? 6.974 -75.526 -21.272 1.00 73.11 ? 25 ASP D OD1 1 +ATOM 12915 O OD2 . ASP D 4 15 ? 8.029 -76.856 -19.877 1.00 76.90 ? 25 ASP D OD2 1 +ATOM 12916 N N . ARG D 4 16 ? 4.670 -77.323 -23.913 1.00 67.70 ? 26 ARG D N 1 +ATOM 12917 C CA . ARG D 4 16 ? 4.847 -78.056 -25.164 1.00 59.31 ? 26 ARG D CA 1 +ATOM 12918 C C . ARG D 4 16 ? 5.885 -77.350 -26.030 1.00 66.38 ? 26 ARG D C 1 +ATOM 12919 O O . ARG D 4 16 ? 6.438 -76.317 -25.649 1.00 65.44 ? 26 ARG D O 1 +ATOM 12920 C CB . ARG D 4 16 ? 3.512 -78.218 -25.902 1.00 55.18 ? 26 ARG D CB 1 +ATOM 12921 C CG . ARG D 4 16 ? 2.553 -77.039 -25.777 1.00 59.72 ? 26 ARG D CG 1 +ATOM 12922 C CD . ARG D 4 16 ? 1.334 -77.215 -26.676 1.00 73.97 ? 26 ARG D CD 1 +ATOM 12923 N NE . ARG D 4 16 ? 0.350 -78.183 -26.197 1.00 57.73 ? 26 ARG D NE 1 +ATOM 12924 C CZ . ARG D 4 16 ? -0.722 -77.867 -25.480 1.00 75.41 ? 26 ARG D CZ 1 +ATOM 12925 N NH1 . ARG D 4 16 ? -0.958 -76.620 -25.092 1.00 59.77 ? 26 ARG D NH1 1 +ATOM 12926 N NH2 . ARG D 4 16 ? -1.576 -78.825 -25.131 1.00 72.35 ? 26 ARG D NH2 1 +ATOM 12927 N N . PHE D 4 17 ? 6.150 -77.927 -27.211 1.00 63.37 ? 27 PHE D N 1 +ATOM 12928 C CA . PHE D 4 17 ? 7.201 -77.395 -28.075 1.00 63.37 ? 27 PHE D CA 1 +ATOM 12929 C C . PHE D 4 17 ? 6.888 -75.964 -28.500 1.00 65.55 ? 27 PHE D C 1 +ATOM 12930 O O . PHE D 4 17 ? 7.784 -75.120 -28.575 1.00 56.16 ? 27 PHE D O 1 +ATOM 12931 C CB . PHE D 4 17 ? 7.383 -78.288 -29.298 1.00 61.64 ? 27 PHE D CB 1 +ATOM 12932 C CG . PHE D 4 17 ? 8.550 -77.905 -30.164 1.00 65.47 ? 27 PHE D CG 1 +ATOM 12933 C CD1 . PHE D 4 17 ? 8.400 -76.976 -31.191 1.00 67.42 ? 27 PHE D CD1 1 +ATOM 12934 C CD2 . PHE D 4 17 ? 9.798 -78.479 -29.961 1.00 71.14 ? 27 PHE D CD2 1 +ATOM 12935 C CE1 . PHE D 4 17 ? 9.478 -76.613 -31.990 1.00 59.97 ? 27 PHE D CE1 1 +ATOM 12936 C CE2 . PHE D 4 17 ? 10.885 -78.129 -30.766 1.00 86.66 ? 27 PHE D CE2 1 +ATOM 12937 C CZ . PHE D 4 17 ? 10.723 -77.192 -31.779 1.00 73.23 ? 27 PHE D CZ 1 +ATOM 12938 N N . VAL D 4 18 ? 5.627 -75.687 -28.795 1.00 56.72 ? 28 VAL D N 1 +ATOM 12939 C CA . VAL D 4 18 ? 5.142 -74.358 -29.088 1.00 53.12 ? 28 VAL D CA 1 +ATOM 12940 C C . VAL D 4 18 ? 4.121 -74.030 -28.015 1.00 65.11 ? 28 VAL D C 1 +ATOM 12941 O O . VAL D 4 18 ? 3.009 -74.574 -28.029 1.00 57.70 ? 28 VAL D O 1 +ATOM 12942 C CB . VAL D 4 18 ? 4.517 -74.256 -30.487 1.00 74.63 ? 28 VAL D CB 1 +ATOM 12943 C CG1 . VAL D 4 18 ? 4.103 -72.812 -30.755 1.00 64.72 ? 28 VAL D CG1 1 +ATOM 12944 C CG2 . VAL D 4 18 ? 5.488 -74.746 -31.553 1.00 67.91 ? 28 VAL D CG2 1 +ATOM 12945 N N . PHE D 4 19 ? 4.492 -73.140 -27.091 1.00 55.37 ? 29 PHE D N 1 +ATOM 12946 C CA . PHE D 4 19 ? 3.559 -72.686 -26.078 1.00 52.89 ? 29 PHE D CA 1 +ATOM 12947 C C . PHE D 4 19 ? 2.359 -72.026 -26.736 1.00 64.39 ? 29 PHE D C 1 +ATOM 12948 O O . PHE D 4 19 ? 2.481 -71.365 -27.769 1.00 59.66 ? 29 PHE D O 1 +ATOM 12949 C CB . PHE D 4 19 ? 4.247 -71.717 -25.115 1.00 55.34 ? 29 PHE D CB 1 +ATOM 12950 C CG . PHE D 4 19 ? 3.326 -71.141 -24.078 1.00 56.94 ? 29 PHE D CG 1 +ATOM 12951 C CD1 . PHE D 4 19 ? 2.632 -69.957 -24.324 1.00 54.17 ? 29 PHE D CD1 1 +ATOM 12952 C CD2 . PHE D 4 19 ? 3.152 -71.773 -22.855 1.00 63.57 ? 29 PHE D CD2 1 +ATOM 12953 C CE1 . PHE D 4 19 ? 1.780 -69.425 -23.374 1.00 60.31 ? 29 PHE D CE1 1 +ATOM 12954 C CE2 . PHE D 4 19 ? 2.292 -71.244 -21.895 1.00 58.37 ? 29 PHE D CE2 1 +ATOM 12955 C CZ . PHE D 4 19 ? 1.607 -70.072 -22.160 1.00 60.24 ? 29 PHE D CZ 1 +ATOM 12956 N N . VAL D 4 20 ? 1.183 -72.207 -26.142 1.00 60.91 ? 30 VAL D N 1 +ATOM 12957 C CA . VAL D 4 20 ? -0.019 -71.668 -26.762 1.00 56.28 ? 30 VAL D CA 1 +ATOM 12958 C C . VAL D 4 20 ? -0.549 -70.523 -25.915 1.00 62.74 ? 30 VAL D C 1 +ATOM 12959 O O . VAL D 4 20 ? -0.497 -69.362 -26.329 1.00 64.52 ? 30 VAL D O 1 +ATOM 12960 C CB . VAL D 4 20 ? -1.084 -72.759 -26.971 1.00 58.18 ? 30 VAL D CB 1 +ATOM 12961 C CG1 . VAL D 4 20 ? -2.296 -72.185 -27.667 1.00 51.18 ? 30 VAL D CG1 1 +ATOM 12962 C CG2 . VAL D 4 20 ? -0.489 -73.918 -27.786 1.00 52.20 ? 30 VAL D CG2 1 +ATOM 12963 N N . GLY D 4 21 ? -1.059 -70.836 -24.730 1.00 58.42 ? 31 GLY D N 1 +ATOM 12964 C CA . GLY D 4 21 ? -1.622 -69.827 -23.859 1.00 52.89 ? 31 GLY D CA 1 +ATOM 12965 C C . GLY D 4 21 ? -2.966 -69.296 -24.311 1.00 49.21 ? 31 GLY D C 1 +ATOM 12966 O O . GLY D 4 21 ? -3.436 -69.609 -25.404 1.00 57.25 ? 31 GLY D O 1 +ATOM 12967 N N . TRP D 4 22 ? -3.609 -68.505 -23.454 1.00 51.50 ? 32 TRP D N 1 +ATOM 12968 C CA . TRP D 4 22 ? -4.813 -67.792 -23.866 1.00 58.97 ? 32 TRP D CA 1 +ATOM 12969 C C . TRP D 4 22 ? -4.512 -66.800 -24.980 1.00 58.34 ? 32 TRP D C 1 +ATOM 12970 O O . TRP D 4 22 ? -5.339 -66.586 -25.865 1.00 52.97 ? 32 TRP D O 1 +ATOM 12971 C CB . TRP D 4 22 ? -5.417 -67.052 -22.682 1.00 49.33 ? 32 TRP D CB 1 +ATOM 12972 C CG . TRP D 4 22 ? -6.099 -67.919 -21.674 1.00 66.12 ? 32 TRP D CG 1 +ATOM 12973 C CD1 . TRP D 4 22 ? -5.580 -68.387 -20.493 1.00 58.17 ? 32 TRP D CD1 1 +ATOM 12974 C CD2 . TRP D 4 22 ? -7.446 -68.387 -21.734 1.00 58.78 ? 32 TRP D CD2 1 +ATOM 12975 N NE1 . TRP D 4 22 ? -6.520 -69.126 -19.828 1.00 57.72 ? 32 TRP D NE1 1 +ATOM 12976 C CE2 . TRP D 4 22 ? -7.674 -69.146 -20.569 1.00 68.61 ? 32 TRP D CE2 1 +ATOM 12977 C CE3 . TRP D 4 22 ? -8.478 -68.251 -22.670 1.00 53.84 ? 32 TRP D CE3 1 +ATOM 12978 C CZ2 . TRP D 4 22 ? -8.894 -69.761 -20.313 1.00 63.54 ? 32 TRP D CZ2 1 +ATOM 12979 C CZ3 . TRP D 4 22 ? -9.688 -68.861 -22.413 1.00 64.48 ? 32 TRP D CZ3 1 +ATOM 12980 C CH2 . TRP D 4 22 ? -9.885 -69.609 -21.243 1.00 63.57 ? 32 TRP D CH2 1 +ATOM 12981 N N . SER D 4 23 ? -3.339 -66.164 -24.935 1.00 54.34 ? 33 SER D N 1 +ATOM 12982 C CA . SER D 4 23 ? -2.996 -65.192 -25.963 1.00 54.91 ? 33 SER D CA 1 +ATOM 12983 C C . SER D 4 23 ? -2.900 -65.851 -27.331 1.00 53.39 ? 33 SER D C 1 +ATOM 12984 O O . SER D 4 23 ? -3.153 -65.200 -28.359 1.00 54.11 ? 33 SER D O 1 +ATOM 12985 C CB . SER D 4 23 ? -1.688 -64.499 -25.596 1.00 45.23 ? 33 SER D CB 1 +ATOM 12986 O OG . SER D 4 23 ? -0.618 -65.419 -25.571 1.00 56.03 ? 33 SER D OG 1 +ATOM 12987 N N . GLY D 4 24 ? -2.572 -67.147 -27.364 1.00 50.60 ? 34 GLY D N 1 +ATOM 12988 C CA . GLY D 4 24 ? -2.450 -67.857 -28.632 1.00 47.02 ? 34 GLY D CA 1 +ATOM 12989 C C . GLY D 4 24 ? -3.746 -67.937 -29.424 1.00 51.75 ? 34 GLY D C 1 +ATOM 12990 O O . GLY D 4 24 ? -3.703 -68.071 -30.651 1.00 54.85 ? 34 GLY D O 1 +ATOM 12991 N N . ILE D 4 25 ? -4.901 -67.855 -28.754 1.00 55.25 ? 35 ILE D N 1 +ATOM 12992 C CA . ILE D 4 25 ? -6.179 -67.857 -29.466 1.00 58.14 ? 35 ILE D CA 1 +ATOM 12993 C C . ILE D 4 25 ? -6.270 -66.654 -30.403 1.00 58.59 ? 35 ILE D C 1 +ATOM 12994 O O . ILE D 4 25 ? -6.782 -66.755 -31.526 1.00 56.21 ? 35 ILE D O 1 +ATOM 12995 C CB . ILE D 4 25 ? -7.338 -67.887 -28.442 1.00 65.86 ? 35 ILE D CB 1 +ATOM 12996 C CG1 . ILE D 4 25 ? -7.339 -69.224 -27.672 1.00 77.32 ? 35 ILE D CG1 1 +ATOM 12997 C CG2 . ILE D 4 25 ? -8.694 -67.630 -29.123 1.00 65.63 ? 35 ILE D CG2 1 +ATOM 12998 C CD1 . ILE D 4 25 ? -8.216 -69.210 -26.432 1.00 64.06 ? 35 ILE D CD1 1 +ATOM 12999 N N . LEU D 4 26 ? -5.780 -65.494 -29.953 1.00 59.61 ? 36 LEU D N 1 +ATOM 13000 C CA . LEU D 4 26 ? -5.679 -64.330 -30.824 1.00 53.51 ? 36 LEU D CA 1 +ATOM 13001 C C . LEU D 4 26 ? -4.456 -64.424 -31.737 1.00 45.72 ? 36 LEU D C 1 +ATOM 13002 O O . LEU D 4 26 ? -4.569 -64.271 -32.951 1.00 46.45 ? 36 LEU D O 1 +ATOM 13003 C CB . LEU D 4 26 ? -5.633 -63.056 -29.974 1.00 60.50 ? 36 LEU D CB 1 +ATOM 13004 C CG . LEU D 4 26 ? -5.676 -61.684 -30.663 1.00 63.95 ? 36 LEU D CG 1 +ATOM 13005 C CD1 . LEU D 4 26 ? -6.959 -61.515 -31.461 1.00 53.81 ? 36 LEU D CD1 1 +ATOM 13006 C CD2 . LEU D 4 26 ? -5.540 -60.571 -29.620 1.00 57.60 ? 36 LEU D CD2 1 +ATOM 13007 N N . LEU D 4 27 ? -3.290 -64.729 -31.171 1.00 49.23 ? 37 LEU D N 1 +ATOM 13008 C CA . LEU D 4 27 ? -2.039 -64.588 -31.910 1.00 49.41 ? 37 LEU D CA 1 +ATOM 13009 C C . LEU D 4 27 ? -1.972 -65.506 -33.136 1.00 57.64 ? 37 LEU D C 1 +ATOM 13010 O O . LEU D 4 27 ? -1.649 -65.056 -34.250 1.00 55.52 ? 37 LEU D O 1 +ATOM 13011 C CB . LEU D 4 27 ? -0.859 -64.839 -30.965 1.00 46.43 ? 37 LEU D CB 1 +ATOM 13012 C CG . LEU D 4 27 ? 0.445 -65.082 -31.720 1.00 48.04 ? 37 LEU D CG 1 +ATOM 13013 C CD1 . LEU D 4 27 ? 0.875 -63.832 -32.558 1.00 50.63 ? 37 LEU D CD1 1 +ATOM 13014 C CD2 . LEU D 4 27 ? 1.525 -65.508 -30.766 1.00 55.28 ? 37 LEU D CD2 1 +ATOM 13015 N N . PHE D 4 28 ? -2.267 -66.806 -32.963 1.00 59.18 ? 38 PHE D N 1 +ATOM 13016 C CA . PHE D 4 28 ? -1.951 -67.756 -34.032 1.00 51.23 ? 38 PHE D CA 1 +ATOM 13017 C C . PHE D 4 28 ? -2.821 -67.611 -35.278 1.00 52.02 ? 38 PHE D C 1 +ATOM 13018 O O . PHE D 4 28 ? -2.265 -67.620 -36.390 1.00 55.49 ? 38 PHE D O 1 +ATOM 13019 C CB . PHE D 4 28 ? -1.959 -69.181 -33.476 1.00 58.91 ? 38 PHE D CB 1 +ATOM 13020 C CG . PHE D 4 28 ? -0.790 -69.458 -32.582 1.00 59.29 ? 38 PHE D CG 1 +ATOM 13021 C CD1 . PHE D 4 28 ? 0.491 -69.535 -33.099 1.00 59.20 ? 38 PHE D CD1 1 +ATOM 13022 C CD2 . PHE D 4 28 ? -0.962 -69.582 -31.222 1.00 62.63 ? 38 PHE D CD2 1 +ATOM 13023 C CE1 . PHE D 4 28 ? 1.577 -69.768 -32.274 1.00 71.81 ? 38 PHE D CE1 1 +ATOM 13024 C CE2 . PHE D 4 28 ? 0.114 -69.826 -30.400 1.00 65.43 ? 38 PHE D CE2 1 +ATOM 13025 C CZ . PHE D 4 28 ? 1.384 -69.911 -30.921 1.00 61.28 ? 38 PHE D CZ 1 +ATOM 13026 N N . PRO D 4 29 ? -4.151 -67.510 -35.197 1.00 53.35 ? 39 PRO D N 1 +ATOM 13027 C CA . PRO D 4 29 ? -4.906 -67.270 -36.439 1.00 54.48 ? 39 PRO D CA 1 +ATOM 13028 C C . PRO D 4 29 ? -4.528 -65.969 -37.134 1.00 57.04 ? 39 PRO D C 1 +ATOM 13029 O O . PRO D 4 29 ? -4.334 -65.966 -38.359 1.00 57.05 ? 39 PRO D O 1 +ATOM 13030 C CB . PRO D 4 29 ? -6.375 -67.267 -35.985 1.00 57.10 ? 39 PRO D CB 1 +ATOM 13031 C CG . PRO D 4 29 ? -6.368 -67.241 -34.535 1.00 57.21 ? 39 PRO D CG 1 +ATOM 13032 C CD . PRO D 4 29 ? -5.041 -67.748 -34.047 1.00 57.19 ? 39 PRO D CD 1 +ATOM 13033 N N . CYS D 4 30 ? -4.388 -64.867 -36.384 1.00 55.29 ? 40 CYS D N 1 +ATOM 13034 C CA . CYS D 4 30 ? -4.156 -63.566 -37.015 1.00 50.38 ? 40 CYS D CA 1 +ATOM 13035 C C . CYS D 4 30 ? -2.769 -63.490 -37.643 1.00 47.06 ? 40 CYS D C 1 +ATOM 13036 O O . CYS D 4 30 ? -2.628 -63.028 -38.777 1.00 51.40 ? 40 CYS D O 1 +ATOM 13037 C CB . CYS D 4 30 ? -4.368 -62.451 -35.998 1.00 46.71 ? 40 CYS D CB 1 +ATOM 13038 S SG . CYS D 4 30 ? -6.124 -62.219 -35.543 1.00 58.65 ? 40 CYS D SG 1 +ATOM 13039 N N . ALA D 4 31 ? -1.741 -63.979 -36.948 1.00 49.53 ? 41 ALA D N 1 +ATOM 13040 C CA . ALA D 4 31 ? -0.405 -64.024 -37.539 1.00 47.86 ? 41 ALA D CA 1 +ATOM 13041 C C . ALA D 4 31 ? -0.378 -64.921 -38.769 1.00 59.98 ? 41 ALA D C 1 +ATOM 13042 O O . ALA D 4 31 ? 0.210 -64.568 -39.799 1.00 57.74 ? 41 ALA D O 1 +ATOM 13043 C CB . ALA D 4 31 ? 0.615 -64.516 -36.505 1.00 48.71 ? 41 ALA D CB 1 +ATOM 13044 N N . TYR D 4 32 ? -1.002 -66.101 -38.675 1.00 54.17 ? 42 TYR D N 1 +ATOM 13045 C CA . TYR D 4 32 ? -0.987 -67.042 -39.788 1.00 54.65 ? 42 TYR D CA 1 +ATOM 13046 C C . TYR D 4 32 ? -1.708 -66.473 -41.001 1.00 48.72 ? 42 TYR D C 1 +ATOM 13047 O O . TYR D 4 32 ? -1.252 -66.641 -42.138 1.00 49.21 ? 42 TYR D O 1 +ATOM 13048 C CB . TYR D 4 32 ? -1.624 -68.375 -39.362 1.00 59.21 ? 42 TYR D CB 1 +ATOM 13049 C CG . TYR D 4 32 ? -1.612 -69.462 -40.448 1.00 53.59 ? 42 TYR D CG 1 +ATOM 13050 C CD1 . TYR D 4 32 ? -0.414 -70.028 -40.873 1.00 55.44 ? 42 TYR D CD1 1 +ATOM 13051 C CD2 . TYR D 4 32 ? -2.793 -69.920 -41.030 1.00 53.86 ? 42 TYR D CD2 1 +ATOM 13052 C CE1 . TYR D 4 32 ? -0.384 -71.009 -41.857 1.00 56.54 ? 42 TYR D CE1 1 +ATOM 13053 C CE2 . TYR D 4 32 ? -2.775 -70.911 -42.023 1.00 56.32 ? 42 TYR D CE2 1 +ATOM 13054 C CZ . TYR D 4 32 ? -1.566 -71.446 -42.430 1.00 58.60 ? 42 TYR D CZ 1 +ATOM 13055 O OH . TYR D 4 32 ? -1.523 -72.435 -43.398 1.00 64.03 ? 42 TYR D OH 1 +ATOM 13056 N N . LEU D 4 33 ? -2.846 -65.814 -40.782 1.00 48.55 ? 43 LEU D N 1 +ATOM 13057 C CA . LEU D 4 33 ? -3.595 -65.269 -41.911 1.00 51.30 ? 43 LEU D CA 1 +ATOM 13058 C C . LEU D 4 33 ? -2.867 -64.083 -42.535 1.00 54.51 ? 43 LEU D C 1 +ATOM 13059 O O . LEU D 4 33 ? -2.878 -63.912 -43.762 1.00 51.42 ? 43 LEU D O 1 +ATOM 13060 C CB . LEU D 4 33 ? -5.009 -64.869 -41.465 1.00 49.22 ? 43 LEU D CB 1 +ATOM 13061 C CG . LEU D 4 33 ? -5.940 -66.045 -41.138 1.00 61.56 ? 43 LEU D CG 1 +ATOM 13062 C CD1 . LEU D 4 33 ? -7.351 -65.583 -40.749 1.00 53.60 ? 43 LEU D CD1 1 +ATOM 13063 C CD2 . LEU D 4 33 ? -5.966 -66.999 -42.331 1.00 58.89 ? 43 LEU D CD2 1 +ATOM 13064 N N . ALA D 4 34 ? -2.246 -63.235 -41.706 1.00 52.46 ? 44 ALA D N 1 +ATOM 13065 C CA . ALA D 4 34 ? -1.518 -62.095 -42.260 1.00 52.67 ? 44 ALA D CA 1 +ATOM 13066 C C . ALA D 4 34 ? -0.359 -62.568 -43.127 1.00 46.89 ? 44 ALA D C 1 +ATOM 13067 O O . ALA D 4 34 ? -0.136 -62.044 -44.224 1.00 48.78 ? 44 ALA D O 1 +ATOM 13068 C CB . ALA D 4 34 ? -1.020 -61.194 -41.125 1.00 49.02 ? 44 ALA D CB 1 +ATOM 13069 N N . LEU D 4 35 ? 0.383 -63.566 -42.650 1.00 49.44 ? 45 LEU D N 1 +ATOM 13070 C CA . LEU D 4 35 ? 1.477 -64.120 -43.432 1.00 49.55 ? 45 LEU D CA 1 +ATOM 13071 C C . LEU D 4 35 ? 0.952 -64.837 -44.661 1.00 50.79 ? 45 LEU D C 1 +ATOM 13072 O O . LEU D 4 35 ? 1.516 -64.699 -45.753 1.00 59.08 ? 45 LEU D O 1 +ATOM 13073 C CB . LEU D 4 35 ? 2.301 -65.074 -42.558 1.00 53.89 ? 45 LEU D CB 1 +ATOM 13074 C CG . LEU D 4 35 ? 3.423 -65.837 -43.265 1.00 66.39 ? 45 LEU D CG 1 +ATOM 13075 C CD1 . LEU D 4 35 ? 4.564 -64.894 -43.658 1.00 78.98 ? 45 LEU D CD1 1 +ATOM 13076 C CD2 . LEU D 4 35 ? 3.941 -66.993 -42.423 1.00 78.52 ? 45 LEU D CD2 1 +ATOM 13077 N N . GLY D 4 36 ? -0.116 -65.626 -44.500 1.00 58.47 ? 46 GLY D N 1 +ATOM 13078 C CA . GLY D 4 36 ? -0.666 -66.359 -45.631 1.00 48.11 ? 46 GLY D CA 1 +ATOM 13079 C C . GLY D 4 36 ? -1.255 -65.437 -46.677 1.00 54.45 ? 46 GLY D C 1 +ATOM 13080 O O . GLY D 4 36 ? -1.113 -65.682 -47.881 1.00 54.34 ? 46 GLY D O 1 +ATOM 13081 N N . GLY D 4 37 ? -1.905 -64.352 -46.238 1.00 54.83 ? 47 GLY D N 1 +ATOM 13082 C CA . GLY D 4 37 ? -2.375 -63.349 -47.186 1.00 48.08 ? 47 GLY D CA 1 +ATOM 13083 C C . GLY D 4 37 ? -1.247 -62.678 -47.952 1.00 53.35 ? 47 GLY D C 1 +ATOM 13084 O O . GLY D 4 37 ? -1.379 -62.394 -49.146 1.00 49.17 ? 47 GLY D O 1 +ATOM 13085 N N . TRP D 4 38 ? -0.113 -62.425 -47.285 1.00 50.59 ? 48 TRP D N 1 +ATOM 13086 C CA . TRP D 4 38 ? 1.005 -61.804 -47.989 1.00 51.72 ? 48 TRP D CA 1 +ATOM 13087 C C . TRP D 4 38 ? 1.608 -62.761 -49.008 1.00 46.08 ? 48 TRP D C 1 +ATOM 13088 O O . TRP D 4 38 ? 1.914 -62.365 -50.136 1.00 48.20 ? 48 TRP D O 1 +ATOM 13089 C CB . TRP D 4 38 ? 2.080 -61.325 -46.998 1.00 44.29 ? 48 TRP D CB 1 +ATOM 13090 C CG . TRP D 4 38 ? 3.151 -60.580 -47.728 1.00 48.65 ? 48 TRP D CG 1 +ATOM 13091 C CD1 . TRP D 4 38 ? 3.030 -59.344 -48.291 1.00 40.81 ? 48 TRP D CD1 1 +ATOM 13092 C CD2 . TRP D 4 38 ? 4.481 -61.033 -48.028 1.00 40.94 ? 48 TRP D CD2 1 +ATOM 13093 N NE1 . TRP D 4 38 ? 4.204 -58.991 -48.914 1.00 47.00 ? 48 TRP D NE1 1 +ATOM 13094 C CE2 . TRP D 4 38 ? 5.113 -60.006 -48.764 1.00 51.76 ? 48 TRP D CE2 1 +ATOM 13095 C CE3 . TRP D 4 38 ? 5.201 -62.192 -47.736 1.00 50.06 ? 48 TRP D CE3 1 +ATOM 13096 C CZ2 . TRP D 4 38 ? 6.433 -60.108 -49.218 1.00 44.57 ? 48 TRP D CZ2 1 +ATOM 13097 C CZ3 . TRP D 4 38 ? 6.517 -62.291 -48.176 1.00 43.00 ? 48 TRP D CZ3 1 +ATOM 13098 C CH2 . TRP D 4 38 ? 7.118 -61.252 -48.906 1.00 51.26 ? 48 TRP D CH2 1 +ATOM 13099 N N . LEU D 4 39 ? 1.769 -64.037 -48.635 1.00 55.49 ? 49 LEU D N 1 +ATOM 13100 C CA . LEU D 4 39 ? 2.280 -65.017 -49.589 1.00 51.78 ? 49 LEU D CA 1 +ATOM 13101 C C . LEU D 4 39 ? 1.276 -65.279 -50.707 1.00 53.62 ? 49 LEU D C 1 +ATOM 13102 O O . LEU D 4 39 ? 1.661 -65.352 -51.884 1.00 50.26 ? 49 LEU D O 1 +ATOM 13103 C CB . LEU D 4 39 ? 2.643 -66.313 -48.868 1.00 49.18 ? 49 LEU D CB 1 +ATOM 13104 C CG . LEU D 4 39 ? 3.826 -66.130 -47.914 1.00 58.89 ? 49 LEU D CG 1 +ATOM 13105 C CD1 . LEU D 4 39 ? 3.813 -67.175 -46.787 1.00 45.79 ? 49 LEU D CD1 1 +ATOM 13106 C CD2 . LEU D 4 39 ? 5.144 -66.141 -48.669 1.00 51.33 ? 49 LEU D CD2 1 +ATOM 13107 N N . THR D 4 40 ? -0.015 -65.397 -50.374 1.00 47.79 ? 50 THR D N 1 +ATOM 13108 C CA . THR D 4 40 ? -1.020 -65.591 -51.419 1.00 56.41 ? 50 THR D CA 1 +ATOM 13109 C C . THR D 4 40 ? -1.018 -64.425 -52.402 1.00 59.35 ? 50 THR D C 1 +ATOM 13110 O O . THR D 4 40 ? -0.990 -64.627 -53.622 1.00 52.83 ? 50 THR D O 1 +ATOM 13111 C CB . THR D 4 40 ? -2.412 -65.756 -50.803 1.00 56.09 ? 50 THR D CB 1 +ATOM 13112 O OG1 . THR D 4 40 ? -2.398 -66.852 -49.895 1.00 54.23 ? 50 THR D OG1 1 +ATOM 13113 C CG2 . THR D 4 40 ? -3.449 -66.027 -51.881 1.00 54.34 ? 50 THR D CG2 1 +ATOM 13114 N N . GLY D 4 41 ? -1.036 -63.188 -51.879 1.00 58.28 ? 51 GLY D N 1 +ATOM 13115 C CA . GLY D 4 41 ? -1.126 -62.026 -52.750 1.00 48.18 ? 51 GLY D CA 1 +ATOM 13116 C C . GLY D 4 41 ? 0.124 -61.816 -53.576 1.00 52.11 ? 51 GLY D C 1 +ATOM 13117 O O . GLY D 4 41 ? 0.042 -61.579 -54.787 1.00 47.62 ? 51 GLY D O 1 +ATOM 13118 N N . THR D 4 42 ? 1.303 -61.932 -52.956 1.00 45.02 ? 52 THR D N 1 +ATOM 13119 C CA . THR D 4 42 ? 2.514 -61.736 -53.754 1.00 47.27 ? 52 THR D CA 1 +ATOM 13120 C C . THR D 4 42 ? 2.719 -62.835 -54.790 1.00 47.92 ? 52 THR D C 1 +ATOM 13121 O O . THR D 4 42 ? 3.473 -62.636 -55.747 1.00 51.88 ? 52 THR D O 1 +ATOM 13122 C CB . THR D 4 42 ? 3.762 -61.627 -52.862 1.00 46.33 ? 52 THR D CB 1 +ATOM 13123 O OG1 . THR D 4 42 ? 3.840 -62.758 -51.990 1.00 48.64 ? 52 THR D OG1 1 +ATOM 13124 C CG2 . THR D 4 42 ? 3.724 -60.357 -52.016 1.00 43.39 ? 52 THR D CG2 1 +ATOM 13125 N N . THR D 4 43 ? 2.099 -64.001 -54.617 1.00 56.94 ? 53 THR D N 1 +ATOM 13126 C CA . THR D 4 43 ? 2.288 -65.072 -55.591 1.00 48.87 ? 53 THR D CA 1 +ATOM 13127 C C . THR D 4 43 ? 1.294 -64.987 -56.743 1.00 50.09 ? 53 THR D C 1 +ATOM 13128 O O . THR D 4 43 ? 1.677 -65.208 -57.893 1.00 50.36 ? 53 THR D O 1 +ATOM 13129 C CB . THR D 4 43 ? 2.185 -66.438 -54.894 1.00 55.22 ? 53 THR D CB 1 +ATOM 13130 O OG1 . THR D 4 43 ? 3.266 -66.563 -53.967 1.00 50.83 ? 53 THR D OG1 1 +ATOM 13131 C CG2 . THR D 4 43 ? 2.256 -67.584 -55.894 1.00 43.56 ? 53 THR D CG2 1 +ATOM 13132 N N . PHE D 4 44 ? 0.048 -64.591 -56.466 1.00 51.80 ? 54 PHE D N 1 +ATOM 13133 C CA . PHE D 4 44 ? -1.043 -64.731 -57.424 1.00 50.23 ? 54 PHE D CA 1 +ATOM 13134 C C . PHE D 4 44 ? -1.818 -63.457 -57.780 1.00 57.06 ? 54 PHE D C 1 +ATOM 13135 O O . PHE D 4 44 ? -2.520 -63.469 -58.791 1.00 55.88 ? 54 PHE D O 1 +ATOM 13136 C CB . PHE D 4 44 ? -2.062 -65.751 -56.898 1.00 51.38 ? 54 PHE D CB 1 +ATOM 13137 C CG . PHE D 4 44 ? -1.495 -67.133 -56.731 1.00 62.29 ? 54 PHE D CG 1 +ATOM 13138 C CD1 . PHE D 4 44 ? -1.068 -67.857 -57.849 1.00 55.17 ? 54 PHE D CD1 1 +ATOM 13139 C CD2 . PHE D 4 44 ? -1.398 -67.714 -55.469 1.00 56.37 ? 54 PHE D CD2 1 +ATOM 13140 C CE1 . PHE D 4 44 ? -0.535 -69.125 -57.704 1.00 55.35 ? 54 PHE D CE1 1 +ATOM 13141 C CE2 . PHE D 4 44 ? -0.882 -69.002 -55.311 1.00 62.58 ? 54 PHE D CE2 1 +ATOM 13142 C CZ . PHE D 4 44 ? -0.454 -69.712 -56.423 1.00 54.09 ? 54 PHE D CZ 1 +ATOM 13143 N N . VAL D 4 45 ? -1.751 -62.381 -56.991 1.00 48.82 ? 55 VAL D N 1 +ATOM 13144 C CA . VAL D 4 45 ? -2.727 -61.298 -57.094 1.00 54.10 ? 55 VAL D CA 1 +ATOM 13145 C C . VAL D 4 45 ? -2.099 -60.072 -57.759 1.00 51.95 ? 55 VAL D C 1 +ATOM 13146 O O . VAL D 4 45 ? -0.954 -59.710 -57.463 1.00 51.38 ? 55 VAL D O 1 +ATOM 13147 C CB . VAL D 4 45 ? -3.312 -60.980 -55.703 1.00 49.43 ? 55 VAL D CB 1 +ATOM 13148 C CG1 . VAL D 4 45 ? -4.243 -59.775 -55.762 1.00 45.82 ? 55 VAL D CG1 1 +ATOM 13149 C CG2 . VAL D 4 45 ? -4.061 -62.198 -55.177 1.00 53.39 ? 55 VAL D CG2 1 +ATOM 13150 N N . THR D 4 46 ? -2.852 -59.441 -58.663 1.00 51.31 ? 56 THR D N 1 +ATOM 13151 C CA . THR D 4 46 ? -2.404 -58.273 -59.413 1.00 48.32 ? 56 THR D CA 1 +ATOM 13152 C C . THR D 4 46 ? -2.672 -56.970 -58.642 1.00 55.50 ? 56 THR D C 1 +ATOM 13153 O O . THR D 4 46 ? -3.312 -56.948 -57.585 1.00 54.93 ? 56 THR D O 1 +ATOM 13154 C CB . THR D 4 46 ? -3.088 -58.211 -60.793 1.00 53.93 ? 56 THR D CB 1 +ATOM 13155 O OG1 . THR D 4 46 ? -2.425 -57.244 -61.628 1.00 50.40 ? 56 THR D OG1 1 +ATOM 13156 C CG2 . THR D 4 46 ? -4.566 -57.793 -60.663 1.00 43.89 ? 56 THR D CG2 1 +ATOM 13157 N N . SER D 4 47 ? -2.147 -55.870 -59.188 1.00 49.88 ? 57 SER D N 1 +ATOM 13158 C CA . SER D 4 47 ? -2.506 -54.523 -58.759 1.00 51.94 ? 57 SER D CA 1 +ATOM 13159 C C . SER D 4 47 ? -2.928 -53.710 -59.971 1.00 47.22 ? 57 SER D C 1 +ATOM 13160 O O . SER D 4 47 ? -2.834 -52.479 -59.975 1.00 57.99 ? 57 SER D O 1 +ATOM 13161 C CB . SER D 4 47 ? -1.354 -53.838 -58.020 1.00 43.16 ? 57 SER D CB 1 +ATOM 13162 O OG . SER D 4 47 ? -0.873 -54.675 -56.975 1.00 49.29 ? 57 SER D OG 1 +ATOM 13163 N N . TRP D 4 48 ? -3.395 -54.404 -61.009 1.00 48.03 ? 58 TRP D N 1 +ATOM 13164 C CA . TRP D 4 48 ? -3.721 -53.756 -62.268 1.00 44.15 ? 58 TRP D CA 1 +ATOM 13165 C C . TRP D 4 48 ? -4.888 -52.790 -62.105 1.00 51.19 ? 58 TRP D C 1 +ATOM 13166 O O . TRP D 4 48 ? -4.818 -51.648 -62.578 1.00 47.62 ? 58 TRP D O 1 +ATOM 13167 C CB . TRP D 4 48 ? -4.012 -54.819 -63.333 1.00 50.06 ? 58 TRP D CB 1 +ATOM 13168 C CG . TRP D 4 48 ? -4.120 -54.281 -64.746 1.00 61.03 ? 58 TRP D CG 1 +ATOM 13169 C CD1 . TRP D 4 48 ? -5.188 -54.404 -65.602 1.00 50.08 ? 58 TRP D CD1 1 +ATOM 13170 C CD2 . TRP D 4 48 ? -3.123 -53.529 -65.461 1.00 55.42 ? 58 TRP D CD2 1 +ATOM 13171 N NE1 . TRP D 4 48 ? -4.910 -53.787 -66.792 1.00 50.46 ? 58 TRP D NE1 1 +ATOM 13172 C CE2 . TRP D 4 48 ? -3.649 -53.254 -66.741 1.00 57.99 ? 58 TRP D CE2 1 +ATOM 13173 C CE3 . TRP D 4 48 ? -1.830 -53.082 -65.146 1.00 43.67 ? 58 TRP D CE3 1 +ATOM 13174 C CZ2 . TRP D 4 48 ? -2.937 -52.529 -67.701 1.00 55.65 ? 58 TRP D CZ2 1 +ATOM 13175 C CZ3 . TRP D 4 48 ? -1.125 -52.385 -66.092 1.00 47.90 ? 58 TRP D CZ3 1 +ATOM 13176 C CH2 . TRP D 4 48 ? -1.678 -52.106 -67.359 1.00 57.21 ? 58 TRP D CH2 1 +ATOM 13177 N N . TYR D 4 49 ? -5.942 -53.198 -61.392 1.00 45.42 ? 59 TYR D N 1 +ATOM 13178 C CA . TYR D 4 49 ? -7.146 -52.370 -61.300 1.00 49.26 ? 59 TYR D CA 1 +ATOM 13179 C C . TYR D 4 49 ? -7.070 -51.279 -60.244 1.00 54.31 ? 59 TYR D C 1 +ATOM 13180 O O . TYR D 4 49 ? -7.895 -50.357 -60.280 1.00 52.70 ? 59 TYR D O 1 +ATOM 13181 C CB . TYR D 4 49 ? -8.372 -53.249 -61.028 1.00 52.53 ? 59 TYR D CB 1 +ATOM 13182 C CG . TYR D 4 49 ? -8.496 -54.296 -62.079 1.00 54.48 ? 59 TYR D CG 1 +ATOM 13183 C CD1 . TYR D 4 49 ? -8.903 -53.956 -63.375 1.00 57.28 ? 59 TYR D CD1 1 +ATOM 13184 C CD2 . TYR D 4 49 ? -8.142 -55.622 -61.811 1.00 56.24 ? 59 TYR D CD2 1 +ATOM 13185 C CE1 . TYR D 4 49 ? -8.991 -54.918 -64.372 1.00 56.69 ? 59 TYR D CE1 1 +ATOM 13186 C CE2 . TYR D 4 49 ? -8.225 -56.592 -62.793 1.00 57.53 ? 59 TYR D CE2 1 +ATOM 13187 C CZ . TYR D 4 49 ? -8.651 -56.236 -64.071 1.00 61.80 ? 59 TYR D CZ 1 +ATOM 13188 O OH . TYR D 4 49 ? -8.728 -57.210 -65.038 1.00 64.43 ? 59 TYR D OH 1 +ATOM 13189 N N . THR D 4 50 ? -6.137 -51.375 -59.289 1.00 51.15 ? 60 THR D N 1 +ATOM 13190 C CA . THR D 4 50 ? -5.973 -50.358 -58.258 1.00 45.80 ? 60 THR D CA 1 +ATOM 13191 C C . THR D 4 50 ? -4.804 -49.415 -58.521 1.00 49.09 ? 60 THR D C 1 +ATOM 13192 O O . THR D 4 50 ? -4.887 -48.238 -58.179 1.00 53.94 ? 60 THR D O 1 +ATOM 13193 C CB . THR D 4 50 ? -5.771 -51.014 -56.891 1.00 51.61 ? 60 THR D CB 1 +ATOM 13194 O OG1 . THR D 4 50 ? -4.621 -51.869 -56.961 1.00 57.45 ? 60 THR D OG1 1 +ATOM 13195 C CG2 . THR D 4 50 ? -7.001 -51.836 -56.486 1.00 48.00 ? 60 THR D CG2 1 +ATOM 13196 N N . HIS D 4 51 ? -3.718 -49.898 -59.109 1.00 53.32 ? 61 HIS D N 1 +ATOM 13197 C CA . HIS D 4 51 ? -2.538 -49.083 -59.327 1.00 44.90 ? 61 HIS D CA 1 +ATOM 13198 C C . HIS D 4 51 ? -2.080 -49.019 -60.771 1.00 50.09 ? 61 HIS D C 1 +ATOM 13199 O O . HIS D 4 51 ? -1.254 -48.165 -61.084 1.00 48.86 ? 61 HIS D O 1 +ATOM 13200 C CB . HIS D 4 51 ? -1.359 -49.594 -58.480 1.00 41.02 ? 61 HIS D CB 1 +ATOM 13201 C CG . HIS D 4 51 ? -1.532 -49.374 -57.007 1.00 46.19 ? 61 HIS D CG 1 +ATOM 13202 N ND1 . HIS D 4 51 ? -0.740 -48.507 -56.289 1.00 45.40 ? 61 HIS D ND1 1 +ATOM 13203 C CD2 . HIS D 4 51 ? -2.400 -49.916 -56.117 1.00 41.61 ? 61 HIS D CD2 1 +ATOM 13204 C CE1 . HIS D 4 51 ? -1.109 -48.526 -55.019 1.00 48.93 ? 61 HIS D CE1 1 +ATOM 13205 N NE2 . HIS D 4 51 ? -2.121 -49.364 -54.890 1.00 50.60 ? 61 HIS D NE2 1 +ATOM 13206 N N . GLY D 4 52 ? -2.557 -49.897 -61.649 1.00 52.75 ? 62 GLY D N 1 +ATOM 13207 C CA . GLY D 4 52 ? -1.923 -50.032 -62.947 1.00 43.42 ? 62 GLY D CA 1 +ATOM 13208 C C . GLY D 4 52 ? -0.584 -50.734 -62.850 1.00 52.05 ? 62 GLY D C 1 +ATOM 13209 O O . GLY D 4 52 ? 0.333 -50.409 -63.610 1.00 54.04 ? 62 GLY D O 1 +ATOM 13210 N N . LEU D 4 53 ? -0.437 -51.691 -61.931 1.00 47.32 ? 63 LEU D N 1 +ATOM 13211 C CA . LEU D 4 53 ? 0.845 -52.364 -61.764 1.00 47.44 ? 63 LEU D CA 1 +ATOM 13212 C C . LEU D 4 53 ? 0.674 -53.870 -61.716 1.00 50.30 ? 63 LEU D C 1 +ATOM 13213 O O . LEU D 4 53 ? -0.264 -54.386 -61.086 1.00 50.86 ? 63 LEU D O 1 +ATOM 13214 C CB . LEU D 4 53 ? 1.570 -51.927 -60.462 1.00 47.08 ? 63 LEU D CB 1 +ATOM 13215 C CG . LEU D 4 53 ? 1.816 -50.448 -60.160 1.00 55.39 ? 63 LEU D CG 1 +ATOM 13216 C CD1 . LEU D 4 53 ? 2.396 -50.365 -58.755 1.00 45.95 ? 63 LEU D CD1 1 +ATOM 13217 C CD2 . LEU D 4 53 ? 2.756 -49.841 -61.200 1.00 43.63 ? 63 LEU D CD2 1 +ATOM 13218 N N . ALA D 4 54 ? 1.625 -54.576 -62.325 1.00 45.27 ? 64 ALA D N 1 +ATOM 13219 C CA . ALA D 4 54 ? 1.788 -55.999 -62.037 1.00 49.25 ? 64 ALA D CA 1 +ATOM 13220 C C . ALA D 4 54 ? 2.530 -56.148 -60.713 1.00 47.01 ? 64 ALA D C 1 +ATOM 13221 O O . ALA D 4 54 ? 3.399 -55.334 -60.391 1.00 53.89 ? 64 ALA D O 1 +ATOM 13222 C CB . ALA D 4 54 ? 2.543 -56.703 -63.169 1.00 48.32 ? 64 ALA D CB 1 +ATOM 13223 N N . SER D 4 55 ? 2.176 -57.174 -59.929 1.00 49.66 ? 65 SER D N 1 +ATOM 13224 C CA . SER D 4 55 ? 2.745 -57.242 -58.583 1.00 47.48 ? 65 SER D CA 1 +ATOM 13225 C C . SER D 4 55 ? 2.820 -58.654 -58.001 1.00 52.64 ? 65 SER D C 1 +ATOM 13226 O O . SER D 4 55 ? 2.929 -58.792 -56.774 1.00 49.15 ? 65 SER D O 1 +ATOM 13227 C CB . SER D 4 55 ? 1.940 -56.357 -57.607 1.00 49.38 ? 65 SER D CB 1 +ATOM 13228 O OG . SER D 4 55 ? 0.571 -56.727 -57.596 1.00 52.57 ? 65 SER D OG 1 +ATOM 13229 N N . SER D 4 56 ? 2.798 -59.699 -58.827 1.00 47.22 ? 66 SER D N 1 +ATOM 13230 C CA . SER D 4 56 ? 2.804 -61.084 -58.364 1.00 47.98 ? 66 SER D CA 1 +ATOM 13231 C C . SER D 4 56 ? 3.805 -61.886 -59.185 1.00 52.89 ? 66 SER D C 1 +ATOM 13232 O O . SER D 4 56 ? 4.141 -61.519 -60.318 1.00 48.24 ? 66 SER D O 1 +ATOM 13233 C CB . SER D 4 56 ? 1.413 -61.712 -58.499 1.00 47.75 ? 66 SER D CB 1 +ATOM 13234 O OG . SER D 4 56 ? 0.997 -61.641 -59.874 1.00 51.58 ? 66 SER D OG 1 +ATOM 13235 N N . TYR D 4 57 ? 4.284 -62.991 -58.604 1.00 48.30 ? 67 TYR D N 1 +ATOM 13236 C CA . TYR D 4 57 ? 5.092 -63.928 -59.390 1.00 51.84 ? 67 TYR D CA 1 +ATOM 13237 C C . TYR D 4 57 ? 4.337 -64.397 -60.632 1.00 51.24 ? 67 TYR D C 1 +ATOM 13238 O O . TYR D 4 57 ? 4.936 -64.564 -61.705 1.00 51.35 ? 67 TYR D O 1 +ATOM 13239 C CB . TYR D 4 57 ? 5.504 -65.140 -58.535 1.00 44.22 ? 67 TYR D CB 1 +ATOM 13240 C CG . TYR D 4 57 ? 6.274 -64.776 -57.288 1.00 50.38 ? 67 TYR D CG 1 +ATOM 13241 C CD1 . TYR D 4 57 ? 7.398 -63.935 -57.350 1.00 49.48 ? 67 TYR D CD1 1 +ATOM 13242 C CD2 . TYR D 4 57 ? 5.850 -65.220 -56.040 1.00 45.20 ? 67 TYR D CD2 1 +ATOM 13243 C CE1 . TYR D 4 57 ? 8.091 -63.576 -56.209 1.00 45.59 ? 67 TYR D CE1 1 +ATOM 13244 C CE2 . TYR D 4 57 ? 6.542 -64.876 -54.891 1.00 55.87 ? 67 TYR D CE2 1 +ATOM 13245 C CZ . TYR D 4 57 ? 7.661 -64.049 -54.976 1.00 49.64 ? 67 TYR D CZ 1 +ATOM 13246 O OH . TYR D 4 57 ? 8.332 -63.707 -53.825 1.00 47.79 ? 67 TYR D OH 1 +ATOM 13247 N N . LEU D 4 58 ? 3.016 -64.607 -60.507 1.00 47.87 ? 68 LEU D N 1 +ATOM 13248 C CA . LEU D 4 58 ? 2.224 -65.073 -61.650 1.00 53.63 ? 68 LEU D CA 1 +ATOM 13249 C C . LEU D 4 58 ? 2.413 -64.170 -62.858 1.00 50.90 ? 68 LEU D C 1 +ATOM 13250 O O . LEU D 4 58 ? 2.498 -64.657 -63.991 1.00 54.23 ? 68 LEU D O 1 +ATOM 13251 C CB . LEU D 4 58 ? 0.732 -65.165 -61.291 1.00 52.93 ? 68 LEU D CB 1 +ATOM 13252 C CG . LEU D 4 58 ? -0.154 -65.778 -62.401 1.00 61.50 ? 68 LEU D CG 1 +ATOM 13253 C CD1 . LEU D 4 58 ? 0.438 -67.101 -62.900 1.00 49.28 ? 68 LEU D CD1 1 +ATOM 13254 C CD2 . LEU D 4 58 ? -1.597 -66.022 -61.925 1.00 51.14 ? 68 LEU D CD2 1 +ATOM 13255 N N . GLU D 4 59 ? 2.511 -62.852 -62.629 1.00 44.55 ? 69 GLU D N 1 +ATOM 13256 C CA . GLU D 4 59 ? 2.692 -61.848 -63.672 1.00 46.80 ? 69 GLU D CA 1 +ATOM 13257 C C . GLU D 4 59 ? 4.148 -61.650 -64.097 1.00 49.90 ? 69 GLU D C 1 +ATOM 13258 O O . GLU D 4 59 ? 4.393 -60.943 -65.077 1.00 50.50 ? 69 GLU D O 1 +ATOM 13259 C CB . GLU D 4 59 ? 2.111 -60.502 -63.213 1.00 48.04 ? 69 GLU D CB 1 +ATOM 13260 C CG . GLU D 4 59 ? 0.637 -60.577 -62.849 1.00 48.82 ? 69 GLU D CG 1 +ATOM 13261 C CD . GLU D 4 59 ? 0.126 -59.332 -62.165 1.00 49.66 ? 69 GLU D CD 1 +ATOM 13262 O OE1 . GLU D 4 59 ? 0.415 -59.149 -60.962 1.00 53.00 ? 69 GLU D OE1 1 +ATOM 13263 O OE2 . GLU D 4 59 ? -0.574 -58.526 -62.826 1.00 54.68 ? 69 GLU D OE2 1 +ATOM 13264 N N . GLY D 4 60 ? 5.123 -62.260 -63.427 1.00 48.84 ? 70 GLY D N 1 +ATOM 13265 C CA . GLY D 4 60 ? 6.507 -62.101 -63.838 1.00 51.16 ? 70 GLY D CA 1 +ATOM 13266 C C . GLY D 4 60 ? 7.359 -61.235 -62.931 1.00 60.95 ? 70 GLY D C 1 +ATOM 13267 O O . GLY D 4 60 ? 8.541 -61.025 -63.239 1.00 49.52 ? 70 GLY D O 1 +ATOM 13268 N N . CYS D 4 61 ? 6.807 -60.733 -61.824 1.00 48.28 ? 71 CYS D N 1 +ATOM 13269 C CA . CYS D 4 61 ? 7.602 -60.021 -60.832 1.00 54.86 ? 71 CYS D CA 1 +ATOM 13270 C C . CYS D 4 61 ? 8.504 -60.991 -60.077 1.00 54.68 ? 71 CYS D C 1 +ATOM 13271 O O . CYS D 4 61 ? 8.258 -62.206 -60.025 1.00 52.91 ? 71 CYS D O 1 +ATOM 13272 C CB . CYS D 4 61 ? 6.698 -59.286 -59.844 1.00 45.42 ? 71 CYS D CB 1 +ATOM 13273 S SG . CYS D 4 61 ? 5.751 -57.959 -60.604 1.00 52.98 ? 71 CYS D SG 1 +ATOM 13274 N N . ASN D 4 62 ? 9.557 -60.442 -59.480 1.00 52.42 ? 72 ASN D N 1 +ATOM 13275 C CA . ASN D 4 62 ? 10.489 -61.203 -58.662 1.00 43.45 ? 72 ASN D CA 1 +ATOM 13276 C C . ASN D 4 62 ? 10.315 -60.806 -57.187 1.00 54.79 ? 72 ASN D C 1 +ATOM 13277 O O . ASN D 4 62 ? 9.437 -60.008 -56.832 1.00 50.49 ? 72 ASN D O 1 +ATOM 13278 C CB . ASN D 4 62 ? 11.919 -61.007 -59.177 1.00 49.96 ? 72 ASN D CB 1 +ATOM 13279 C CG . ASN D 4 62 ? 12.388 -59.538 -59.123 1.00 57.30 ? 72 ASN D CG 1 +ATOM 13280 O OD1 . ASN D 4 62 ? 12.335 -58.895 -58.077 1.00 57.37 ? 72 ASN D OD1 1 +ATOM 13281 N ND2 . ASN D 4 62 ? 12.847 -59.019 -60.253 1.00 51.12 ? 72 ASN D ND2 1 +ATOM 13282 N N . PHE D 4 63 ? 11.140 -61.405 -56.310 1.00 50.54 ? 73 PHE D N 1 +ATOM 13283 C CA . PHE D 4 63 ? 10.990 -61.167 -54.872 1.00 53.60 ? 73 PHE D CA 1 +ATOM 13284 C C . PHE D 4 63 ? 11.088 -59.678 -54.513 1.00 52.76 ? 73 PHE D C 1 +ATOM 13285 O O . PHE D 4 63 ? 10.408 -59.222 -53.584 1.00 47.57 ? 73 PHE D O 1 +ATOM 13286 C CB . PHE D 4 63 ? 12.033 -61.971 -54.080 1.00 50.32 ? 73 PHE D CB 1 +ATOM 13287 C CG . PHE D 4 63 ? 12.108 -61.600 -52.615 1.00 59.93 ? 73 PHE D CG 1 +ATOM 13288 C CD1 . PHE D 4 63 ? 11.052 -61.889 -51.752 1.00 48.17 ? 73 PHE D CD1 1 +ATOM 13289 C CD2 . PHE D 4 63 ? 13.235 -60.970 -52.105 1.00 52.74 ? 73 PHE D CD2 1 +ATOM 13290 C CE1 . PHE D 4 63 ? 11.114 -61.548 -50.424 1.00 55.22 ? 73 PHE D CE1 1 +ATOM 13291 C CE2 . PHE D 4 63 ? 13.306 -60.630 -50.767 1.00 60.75 ? 73 PHE D CE2 1 +ATOM 13292 C CZ . PHE D 4 63 ? 12.243 -60.919 -49.923 1.00 53.76 ? 73 PHE D CZ 1 +ATOM 13293 N N . LEU D 4 64 ? 11.923 -58.915 -55.229 1.00 45.71 ? 74 LEU D N 1 +ATOM 13294 C CA . LEU D 4 64 ? 12.038 -57.486 -54.947 1.00 50.56 ? 74 LEU D CA 1 +ATOM 13295 C C . LEU D 4 64 ? 10.812 -56.697 -55.397 1.00 46.57 ? 74 LEU D C 1 +ATOM 13296 O O . LEU D 4 64 ? 10.474 -55.693 -54.764 1.00 51.26 ? 74 LEU D O 1 +ATOM 13297 C CB . LEU D 4 64 ? 13.297 -56.916 -55.596 1.00 44.02 ? 74 LEU D CB 1 +ATOM 13298 C CG . LEU D 4 64 ? 14.571 -57.637 -55.127 1.00 53.12 ? 74 LEU D CG 1 +ATOM 13299 C CD1 . LEU D 4 64 ? 15.809 -57.032 -55.753 1.00 51.88 ? 74 LEU D CD1 1 +ATOM 13300 C CD2 . LEU D 4 64 ? 14.678 -57.599 -53.606 1.00 51.07 ? 74 LEU D CD2 1 +ATOM 13301 N N . THR D 4 65 ? 10.117 -57.118 -56.462 1.00 45.98 ? 75 THR D N 1 +ATOM 13302 C CA . THR D 4 65 ? 9.049 -56.276 -56.992 1.00 45.33 ? 75 THR D CA 1 +ATOM 13303 C C . THR D 4 65 ? 7.637 -56.774 -56.712 1.00 46.20 ? 75 THR D C 1 +ATOM 13304 O O . THR D 4 65 ? 6.693 -56.021 -56.953 1.00 47.87 ? 75 THR D O 1 +ATOM 13305 C CB . THR D 4 65 ? 9.226 -56.052 -58.506 1.00 44.41 ? 75 THR D CB 1 +ATOM 13306 O OG1 . THR D 4 65 ? 9.165 -57.298 -59.207 1.00 47.08 ? 75 THR D OG1 1 +ATOM 13307 C CG2 . THR D 4 65 ? 10.578 -55.387 -58.792 1.00 43.42 ? 75 THR D CG2 1 +ATOM 13308 N N . VAL D 4 66 ? 7.445 -57.977 -56.168 1.00 44.60 ? 76 VAL D N 1 +ATOM 13309 C CA . VAL D 4 66 ? 6.078 -58.368 -55.797 1.00 46.33 ? 76 VAL D CA 1 +ATOM 13310 C C . VAL D 4 66 ? 5.588 -57.499 -54.650 1.00 43.09 ? 76 VAL D C 1 +ATOM 13311 O O . VAL D 4 66 ? 6.373 -56.986 -53.838 1.00 48.78 ? 76 VAL D O 1 +ATOM 13312 C CB . VAL D 4 66 ? 5.940 -59.861 -55.422 1.00 47.07 ? 76 VAL D CB 1 +ATOM 13313 C CG1 . VAL D 4 66 ? 6.099 -60.743 -56.634 1.00 42.89 ? 76 VAL D CG1 1 +ATOM 13314 C CG2 . VAL D 4 66 ? 6.903 -60.256 -54.263 1.00 42.55 ? 76 VAL D CG2 1 +ATOM 13315 N N . ALA D 4 67 ? 4.274 -57.351 -54.567 1.00 47.86 ? 77 ALA D N 1 +ATOM 13316 C CA . ALA D 4 67 ? 3.685 -56.662 -53.434 1.00 47.98 ? 77 ALA D CA 1 +ATOM 13317 C C . ALA D 4 67 ? 2.236 -57.087 -53.283 1.00 47.83 ? 77 ALA D C 1 +ATOM 13318 O O . ALA D 4 67 ? 1.604 -57.531 -54.239 1.00 53.28 ? 77 ALA D O 1 +ATOM 13319 C CB . ALA D 4 67 ? 3.772 -55.134 -53.610 1.00 49.46 ? 77 ALA D CB 1 +ATOM 13320 N N . VAL D 4 68 ? 1.703 -56.911 -52.077 1.00 46.00 ? 78 VAL D N 1 +ATOM 13321 C CA . VAL D 4 68 ? 0.269 -56.715 -51.900 1.00 44.73 ? 78 VAL D CA 1 +ATOM 13322 C C . VAL D 4 68 ? 0.052 -55.210 -51.808 1.00 48.45 ? 78 VAL D C 1 +ATOM 13323 O O . VAL D 4 68 ? 0.435 -54.564 -50.819 1.00 50.82 ? 78 VAL D O 1 +ATOM 13324 C CB . VAL D 4 68 ? -0.280 -57.456 -50.673 1.00 48.91 ? 78 VAL D CB 1 +ATOM 13325 C CG1 . VAL D 4 68 ? -1.750 -57.111 -50.474 1.00 46.72 ? 78 VAL D CG1 1 +ATOM 13326 C CG2 . VAL D 4 68 ? -0.096 -58.985 -50.834 1.00 48.47 ? 78 VAL D CG2 1 +ATOM 13327 N N . SER D 4 69 ? -0.538 -54.642 -52.849 1.00 50.73 ? 79 SER D N 1 +ATOM 13328 C CA . SER D 4 69 ? -0.676 -53.202 -52.963 1.00 42.17 ? 79 SER D CA 1 +ATOM 13329 C C . SER D 4 69 ? -1.941 -52.737 -52.273 1.00 53.02 ? 79 SER D C 1 +ATOM 13330 O O . SER D 4 69 ? -2.869 -53.510 -52.013 1.00 48.24 ? 79 SER D O 1 +ATOM 13331 C CB . SER D 4 69 ? -0.699 -52.757 -54.430 1.00 45.10 ? 79 SER D CB 1 +ATOM 13332 O OG . SER D 4 69 ? 0.464 -53.188 -55.104 1.00 46.08 ? 79 SER D OG 1 +ATOM 13333 N N . THR D 4 70 ? -1.949 -51.449 -51.962 1.00 45.89 ? 80 THR D N 1 +ATOM 13334 C CA . THR D 4 70 ? -3.061 -50.813 -51.302 1.00 47.71 ? 80 THR D CA 1 +ATOM 13335 C C . THR D 4 70 ? -4.258 -50.745 -52.248 1.00 49.18 ? 80 THR D C 1 +ATOM 13336 O O . THR D 4 70 ? -4.102 -50.799 -53.471 1.00 47.86 ? 80 THR D O 1 +ATOM 13337 C CB . THR D 4 70 ? -2.657 -49.401 -50.870 1.00 47.07 ? 80 THR D CB 1 +ATOM 13338 O OG1 . THR D 4 70 ? -2.044 -48.746 -51.976 1.00 46.00 ? 80 THR D OG1 1 +ATOM 13339 C CG2 . THR D 4 70 ? -1.664 -49.451 -49.702 1.00 46.82 ? 80 THR D CG2 1 +ATOM 13340 N N . PRO D 4 71 ? -5.456 -50.575 -51.702 1.00 47.80 ? 81 PRO D N 1 +ATOM 13341 C CA . PRO D 4 71 ? -6.644 -50.424 -52.550 1.00 46.78 ? 81 PRO D CA 1 +ATOM 13342 C C . PRO D 4 71 ? -6.592 -49.135 -53.357 1.00 52.55 ? 81 PRO D C 1 +ATOM 13343 O O . PRO D 4 71 ? -5.779 -48.239 -53.131 1.00 56.54 ? 81 PRO D O 1 +ATOM 13344 C CB . PRO D 4 71 ? -7.806 -50.396 -51.548 1.00 47.04 ? 81 PRO D CB 1 +ATOM 13345 C CG . PRO D 4 71 ? -7.225 -50.919 -50.232 1.00 51.21 ? 81 PRO D CG 1 +ATOM 13346 C CD . PRO D 4 71 ? -5.778 -50.545 -50.260 1.00 44.36 ? 81 PRO D CD 1 +ATOM 13347 N N . ALA D 4 72 ? -7.511 -49.049 -54.312 1.00 56.69 ? 82 ALA D N 1 +ATOM 13348 C CA . ALA D 4 72 ? -7.644 -47.861 -55.134 1.00 52.00 ? 82 ALA D CA 1 +ATOM 13349 C C . ALA D 4 72 ? -8.036 -46.672 -54.269 1.00 58.60 ? 82 ALA D C 1 +ATOM 13350 O O . ALA D 4 72 ? -8.683 -46.823 -53.226 1.00 49.10 ? 82 ALA D O 1 +ATOM 13351 C CB . ALA D 4 72 ? -8.688 -48.085 -56.234 1.00 51.31 ? 82 ALA D CB 1 +ATOM 13352 N N . ASN D 4 73 ? -7.622 -45.475 -54.708 1.00 43.11 ? 83 ASN D N 1 +ATOM 13353 C CA . ASN D 4 73 ? -7.922 -44.286 -53.923 1.00 45.49 ? 83 ASN D CA 1 +ATOM 13354 C C . ASN D 4 73 ? -9.420 -44.082 -53.764 1.00 51.65 ? 83 ASN D C 1 +ATOM 13355 O O . ASN D 4 73 ? -9.867 -43.515 -52.760 1.00 53.20 ? 83 ASN D O 1 +ATOM 13356 C CB . ASN D 4 73 ? -7.295 -43.036 -54.551 1.00 43.87 ? 83 ASN D CB 1 +ATOM 13357 C CG . ASN D 4 73 ? -7.627 -41.783 -53.762 1.00 48.25 ? 83 ASN D CG 1 +ATOM 13358 O OD1 . ASN D 4 73 ? -7.045 -41.527 -52.708 1.00 49.50 ? 83 ASN D OD1 1 +ATOM 13359 N ND2 . ASN D 4 73 ? -8.595 -41.020 -54.243 1.00 51.07 ? 83 ASN D ND2 1 +ATOM 13360 N N . SER D 4 74 ? -10.209 -44.526 -54.741 1.00 51.25 ? 84 SER D N 1 +ATOM 13361 C CA . SER D 4 74 ? -11.654 -44.354 -54.673 1.00 50.02 ? 84 SER D CA 1 +ATOM 13362 C C . SER D 4 74 ? -12.295 -45.174 -53.550 1.00 54.38 ? 84 SER D C 1 +ATOM 13363 O O . SER D 4 74 ? -13.440 -44.897 -53.188 1.00 51.51 ? 84 SER D O 1 +ATOM 13364 C CB . SER D 4 74 ? -12.288 -44.725 -56.020 1.00 52.65 ? 84 SER D CB 1 +ATOM 13365 O OG . SER D 4 74 ? -12.118 -46.110 -56.308 1.00 61.78 ? 84 SER D OG 1 +ATOM 13366 N N . MET D 4 75 ? -11.604 -46.177 -52.996 1.00 49.03 ? 85 MET D N 1 +ATOM 13367 C CA . MET D 4 75 ? -12.169 -46.879 -51.845 1.00 45.09 ? 85 MET D CA 1 +ATOM 13368 C C . MET D 4 75 ? -12.166 -46.048 -50.564 1.00 58.59 ? 85 MET D C 1 +ATOM 13369 O O . MET D 4 75 ? -12.805 -46.460 -49.591 1.00 52.30 ? 85 MET D O 1 +ATOM 13370 C CB . MET D 4 75 ? -11.418 -48.193 -51.575 1.00 55.40 ? 85 MET D CB 1 +ATOM 13371 C CG . MET D 4 75 ? -11.250 -49.135 -52.768 1.00 62.90 ? 85 MET D CG 1 +ATOM 13372 S SD . MET D 4 75 ? -12.753 -49.525 -53.718 1.00 76.52 ? 85 MET D SD 1 +ATOM 13373 C CE . MET D 4 75 ? -13.789 -49.976 -52.399 1.00 57.03 ? 85 MET D CE 1 +ATOM 13374 N N . GLY D 4 76 ? -11.466 -44.904 -50.532 1.00 51.98 ? 86 GLY D N 1 +ATOM 13375 C CA . GLY D 4 76 ? -11.327 -44.162 -49.290 1.00 44.51 ? 86 GLY D CA 1 +ATOM 13376 C C . GLY D 4 76 ? -10.670 -45.001 -48.202 1.00 49.05 ? 86 GLY D C 1 +ATOM 13377 O O . GLY D 4 76 ? -9.655 -45.674 -48.418 1.00 47.47 ? 86 GLY D O 1 +ATOM 13378 N N . HIS D 4 77 ? -11.257 -44.975 -47.009 1.00 44.91 ? 87 HIS D N 1 +ATOM 13379 C CA . HIS D 4 77 ? -10.766 -45.756 -45.883 1.00 47.67 ? 87 HIS D CA 1 +ATOM 13380 C C . HIS D 4 77 ? -11.643 -46.967 -45.589 1.00 49.37 ? 87 HIS D C 1 +ATOM 13381 O O . HIS D 4 77 ? -11.652 -47.469 -44.456 1.00 49.08 ? 87 HIS D O 1 +ATOM 13382 C CB . HIS D 4 77 ? -10.645 -44.862 -44.645 1.00 44.72 ? 87 HIS D CB 1 +ATOM 13383 C CG . HIS D 4 77 ? -9.744 -43.689 -44.856 1.00 52.17 ? 87 HIS D CG 1 +ATOM 13384 N ND1 . HIS D 4 77 ? -10.224 -42.420 -45.106 1.00 48.39 ? 87 HIS D ND1 1 +ATOM 13385 C CD2 . HIS D 4 77 ? -8.392 -43.602 -44.914 1.00 45.17 ? 87 HIS D CD2 1 +ATOM 13386 C CE1 . HIS D 4 77 ? -9.207 -41.594 -45.267 1.00 47.74 ? 87 HIS D CE1 1 +ATOM 13387 N NE2 . HIS D 4 77 ? -8.085 -42.284 -45.147 1.00 49.10 ? 87 HIS D NE2 1 +ATOM 13388 N N . SER D 4 78 ? -12.390 -47.429 -46.583 1.00 54.30 ? 88 SER D N 1 +ATOM 13389 C CA . SER D 4 78 ? -13.240 -48.603 -46.441 1.00 46.43 ? 88 SER D CA 1 +ATOM 13390 C C . SER D 4 78 ? -12.495 -49.749 -45.789 1.00 49.67 ? 88 SER D C 1 +ATOM 13391 O O . SER D 4 78 ? -11.364 -50.068 -46.172 1.00 50.31 ? 88 SER D O 1 +ATOM 13392 C CB . SER D 4 78 ? -13.738 -49.053 -47.816 1.00 53.38 ? 88 SER D CB 1 +ATOM 13393 O OG . SER D 4 78 ? -14.496 -50.235 -47.678 1.00 48.16 ? 88 SER D OG 1 +ATOM 13394 N N . LEU D 4 79 ? -13.152 -50.385 -44.808 1.00 48.13 ? 89 LEU D N 1 +ATOM 13395 C CA . LEU D 4 79 ? -12.631 -51.633 -44.256 1.00 50.23 ? 89 LEU D CA 1 +ATOM 13396 C C . LEU D 4 79 ? -12.429 -52.684 -45.338 1.00 56.88 ? 89 LEU D C 1 +ATOM 13397 O O . LEU D 4 79 ? -11.541 -53.536 -45.207 1.00 48.96 ? 89 LEU D O 1 +ATOM 13398 C CB . LEU D 4 79 ? -13.565 -52.161 -43.166 1.00 54.84 ? 89 LEU D CB 1 +ATOM 13399 C CG . LEU D 4 79 ? -13.677 -51.204 -41.975 1.00 58.64 ? 89 LEU D CG 1 +ATOM 13400 C CD1 . LEU D 4 79 ? -14.785 -51.602 -41.011 1.00 56.89 ? 89 LEU D CD1 1 +ATOM 13401 C CD2 . LEU D 4 79 ? -12.345 -51.094 -41.258 1.00 48.27 ? 89 LEU D CD2 1 +ATOM 13402 N N . LEU D 4 80 ? -13.217 -52.627 -46.420 1.00 57.59 ? 90 LEU D N 1 +ATOM 13403 C CA . LEU D 4 80 ? -13.129 -53.592 -47.513 1.00 48.03 ? 90 LEU D CA 1 +ATOM 13404 C C . LEU D 4 80 ? -13.292 -55.028 -47.002 1.00 55.16 ? 90 LEU D C 1 +ATOM 13405 O O . LEU D 4 80 ? -12.530 -55.940 -47.347 1.00 47.45 ? 90 LEU D O 1 +ATOM 13406 C CB . LEU D 4 80 ? -11.816 -53.418 -48.261 1.00 62.28 ? 90 LEU D CB 1 +ATOM 13407 C CG . LEU D 4 80 ? -11.876 -52.423 -49.415 1.00 64.88 ? 90 LEU D CG 1 +ATOM 13408 C CD1 . LEU D 4 80 ? -10.532 -52.327 -50.077 1.00 59.21 ? 90 LEU D CD1 1 +ATOM 13409 C CD2 . LEU D 4 80 ? -12.903 -52.918 -50.410 1.00 68.29 ? 90 LEU D CD2 1 +ATOM 13410 N N . LEU D 4 81 ? -14.286 -55.212 -46.127 1.00 47.99 ? 91 LEU D N 1 +ATOM 13411 C CA . LEU D 4 81 ? -14.667 -56.548 -45.697 1.00 52.88 ? 91 LEU D CA 1 +ATOM 13412 C C . LEU D 4 81 ? -15.115 -57.373 -46.901 1.00 53.93 ? 91 LEU D C 1 +ATOM 13413 O O . LEU D 4 81 ? -15.736 -56.857 -47.834 1.00 55.78 ? 91 LEU D O 1 +ATOM 13414 C CB . LEU D 4 81 ? -15.805 -56.481 -44.680 1.00 52.08 ? 91 LEU D CB 1 +ATOM 13415 C CG . LEU D 4 81 ? -15.578 -55.566 -43.485 1.00 53.56 ? 91 LEU D CG 1 +ATOM 13416 C CD1 . LEU D 4 81 ? -16.813 -55.543 -42.594 1.00 50.64 ? 91 LEU D CD1 1 +ATOM 13417 C CD2 . LEU D 4 81 ? -14.338 -56.008 -42.725 1.00 52.63 ? 91 LEU D CD2 1 +ATOM 13418 N N . LEU D 4 82 ? -14.787 -58.671 -46.881 1.00 58.21 ? 92 LEU D N 1 +ATOM 13419 C CA . LEU D 4 82 ? -15.157 -59.542 -47.997 1.00 60.00 ? 92 LEU D CA 1 +ATOM 13420 C C . LEU D 4 82 ? -16.662 -59.495 -48.262 1.00 56.90 ? 92 LEU D C 1 +ATOM 13421 O O . LEU D 4 82 ? -17.100 -59.539 -49.421 1.00 59.48 ? 92 LEU D O 1 +ATOM 13422 C CB . LEU D 4 82 ? -14.695 -60.983 -47.723 1.00 52.20 ? 92 LEU D CB 1 +ATOM 13423 C CG . LEU D 4 82 ? -15.120 -62.096 -48.689 1.00 53.12 ? 92 LEU D CG 1 +ATOM 13424 C CD1 . LEU D 4 82 ? -14.824 -61.736 -50.148 1.00 54.92 ? 92 LEU D CD1 1 +ATOM 13425 C CD2 . LEU D 4 82 ? -14.443 -63.409 -48.328 1.00 57.10 ? 92 LEU D CD2 1 +ATOM 13426 N N . TRP D 4 83 ? -17.461 -59.373 -47.200 1.00 59.59 ? 93 TRP D N 1 +ATOM 13427 C CA . TRP D 4 83 ? -18.912 -59.322 -47.277 1.00 53.99 ? 93 TRP D CA 1 +ATOM 13428 C C . TRP D 4 83 ? -19.446 -57.904 -47.293 1.00 64.63 ? 93 TRP D C 1 +ATOM 13429 O O . TRP D 4 83 ? -20.659 -57.714 -47.151 1.00 60.99 ? 93 TRP D O 1 +ATOM 13430 C CB . TRP D 4 83 ? -19.522 -60.091 -46.096 1.00 63.83 ? 93 TRP D CB 1 +ATOM 13431 C CG . TRP D 4 83 ? -19.065 -59.584 -44.761 1.00 55.09 ? 93 TRP D CG 1 +ATOM 13432 C CD1 . TRP D 4 83 ? -19.608 -58.552 -44.037 1.00 55.98 ? 93 TRP D CD1 1 +ATOM 13433 C CD2 . TRP D 4 83 ? -17.959 -60.070 -43.993 1.00 53.34 ? 93 TRP D CD2 1 +ATOM 13434 N NE1 . TRP D 4 83 ? -18.908 -58.375 -42.871 1.00 56.68 ? 93 TRP D NE1 1 +ATOM 13435 C CE2 . TRP D 4 83 ? -17.889 -59.290 -42.820 1.00 51.78 ? 93 TRP D CE2 1 +ATOM 13436 C CE3 . TRP D 4 83 ? -17.013 -61.082 -44.187 1.00 56.78 ? 93 TRP D CE3 1 +ATOM 13437 C CZ2 . TRP D 4 83 ? -16.924 -59.501 -41.842 1.00 54.83 ? 93 TRP D CZ2 1 +ATOM 13438 C CZ3 . TRP D 4 83 ? -16.052 -61.283 -43.215 1.00 56.34 ? 93 TRP D CZ3 1 +ATOM 13439 C CH2 . TRP D 4 83 ? -16.016 -60.496 -42.058 1.00 51.42 ? 93 TRP D CH2 1 +ATOM 13440 N N . GLY D 4 84 ? -18.566 -56.903 -47.449 1.00 62.53 ? 94 GLY D N 1 +ATOM 13441 C CA . GLY D 4 84 ? -18.980 -55.516 -47.481 1.00 57.98 ? 94 GLY D CA 1 +ATOM 13442 C C . GLY D 4 84 ? -19.596 -55.133 -48.814 1.00 57.96 ? 94 GLY D C 1 +ATOM 13443 O O . GLY D 4 84 ? -19.671 -55.919 -49.761 1.00 60.03 ? 94 GLY D O 1 +ATOM 13444 N N . PRO D 4 85 ? -20.048 -53.881 -48.894 1.00 61.50 ? 95 PRO D N 1 +ATOM 13445 C CA . PRO D 4 85 ? -20.797 -53.428 -50.075 1.00 58.19 ? 95 PRO D CA 1 +ATOM 13446 C C . PRO D 4 85 ? -19.955 -53.200 -51.314 1.00 58.60 ? 95 PRO D C 1 +ATOM 13447 O O . PRO D 4 85 ? -20.518 -52.972 -52.388 1.00 61.25 ? 95 PRO D O 1 +ATOM 13448 C CB . PRO D 4 85 ? -21.421 -52.108 -49.596 1.00 61.41 ? 95 PRO D CB 1 +ATOM 13449 C CG . PRO D 4 85 ? -20.503 -51.634 -48.533 1.00 60.40 ? 95 PRO D CG 1 +ATOM 13450 C CD . PRO D 4 85 ? -19.975 -52.845 -47.844 1.00 61.28 ? 95 PRO D CD 1 +ATOM 13451 N N . GLU D 4 86 ? -18.637 -53.233 -51.209 1.00 58.18 ? 96 GLU D N 1 +ATOM 13452 C CA . GLU D 4 86 ? -17.823 -53.093 -52.403 1.00 56.50 ? 96 GLU D CA 1 +ATOM 13453 C C . GLU D 4 86 ? -17.624 -54.437 -53.098 1.00 62.54 ? 96 GLU D C 1 +ATOM 13454 O O . GLU D 4 86 ? -17.922 -54.565 -54.292 1.00 56.07 ? 96 GLU D O 1 +ATOM 13455 C CB . GLU D 4 86 ? -16.482 -52.445 -52.044 1.00 52.09 ? 96 GLU D CB 1 +ATOM 13456 C CG . GLU D 4 86 ? -16.661 -51.125 -51.298 1.00 48.53 ? 96 GLU D CG 1 +ATOM 13457 C CD . GLU D 4 86 ? -16.667 -51.255 -49.787 1.00 52.28 ? 96 GLU D CD 1 +ATOM 13458 O OE1 . GLU D 4 86 ? -16.541 -52.385 -49.253 1.00 61.04 ? 96 GLU D OE1 1 +ATOM 13459 O OE2 . GLU D 4 86 ? -16.820 -50.209 -49.124 1.00 54.90 ? 96 GLU D OE2 1 +ATOM 13460 N N . ALA D 4 87 ? -17.137 -55.445 -52.366 1.00 54.78 ? 97 ALA D N 1 +ATOM 13461 C CA . ALA D 4 87 ? -16.891 -56.755 -52.963 1.00 65.03 ? 97 ALA D CA 1 +ATOM 13462 C C . ALA D 4 87 ? -18.138 -57.619 -52.991 1.00 56.41 ? 97 ALA D C 1 +ATOM 13463 O O . ALA D 4 87 ? -18.276 -58.455 -53.882 1.00 55.74 ? 97 ALA D O 1 +ATOM 13464 C CB . ALA D 4 87 ? -15.782 -57.502 -52.210 1.00 55.64 ? 97 ALA D CB 1 +ATOM 13465 N N . GLN D 4 88 ? -19.029 -57.453 -52.011 1.00 66.34 ? 98 GLN D N 1 +ATOM 13466 C CA . GLN D 4 88 ? -20.318 -58.138 -51.993 1.00 60.25 ? 98 GLN D CA 1 +ATOM 13467 C C . GLN D 4 88 ? -20.136 -59.649 -52.014 1.00 62.86 ? 98 GLN D C 1 +ATOM 13468 O O . GLN D 4 88 ? -20.823 -60.362 -52.737 1.00 62.71 ? 98 GLN D O 1 +ATOM 13469 C CB . GLN D 4 88 ? -21.192 -57.674 -53.158 1.00 58.18 ? 98 GLN D CB 1 +ATOM 13470 C CG . GLN D 4 88 ? -21.302 -56.153 -53.246 1.00 77.08 ? 98 GLN D CG 1 +ATOM 13471 C CD . GLN D 4 88 ? -21.909 -55.693 -54.557 1.00 81.30 ? 98 GLN D CD 1 +ATOM 13472 O OE1 . GLN D 4 88 ? -22.884 -56.267 -55.037 1.00 102.48 ? 98 GLN D OE1 1 +ATOM 13473 N NE2 . GLN D 4 88 ? -21.322 -54.666 -55.153 1.00 81.40 ? 98 GLN D NE2 1 +ATOM 13474 N N . GLY D 4 89 ? -19.195 -60.141 -51.214 1.00 61.77 ? 99 GLY D N 1 +ATOM 13475 C CA . GLY D 4 89 ? -18.984 -61.560 -51.080 1.00 53.17 ? 99 GLY D CA 1 +ATOM 13476 C C . GLY D 4 89 ? -18.213 -62.202 -52.201 1.00 56.81 ? 99 GLY D C 1 +ATOM 13477 O O . GLY D 4 89 ? -17.972 -63.409 -52.150 1.00 65.30 ? 99 GLY D O 1 +ATOM 13478 N N . ASP D 4 90 ? -17.801 -61.449 -53.204 1.00 63.96 ? 100 ASP D N 1 +ATOM 13479 C CA . ASP D 4 90 ? -17.150 -62.027 -54.372 1.00 56.52 ? 100 ASP D CA 1 +ATOM 13480 C C . ASP D 4 90 ? -15.639 -62.025 -54.134 1.00 62.14 ? 100 ASP D C 1 +ATOM 13481 O O . ASP D 4 90 ? -14.996 -60.970 -54.135 1.00 62.02 ? 100 ASP D O 1 +ATOM 13482 C CB . ASP D 4 90 ? -17.571 -61.236 -55.605 1.00 57.47 ? 100 ASP D CB 1 +ATOM 13483 C CG . ASP D 4 90 ? -17.067 -61.822 -56.892 1.00 66.18 ? 100 ASP D CG 1 +ATOM 13484 O OD1 . ASP D 4 90 ? -15.985 -62.449 -56.899 1.00 56.64 ? 100 ASP D OD1 1 +ATOM 13485 O OD2 . ASP D 4 90 ? -17.754 -61.610 -57.918 1.00 74.18 ? 100 ASP D OD2 1 +ATOM 13486 N N . PHE D 4 91 ? -15.078 -63.212 -53.927 1.00 62.07 ? 101 PHE D N 1 +ATOM 13487 C CA . PHE D 4 91 ? -13.680 -63.338 -53.525 1.00 56.93 ? 101 PHE D CA 1 +ATOM 13488 C C . PHE D 4 91 ? -12.738 -62.809 -54.598 1.00 66.56 ? 101 PHE D C 1 +ATOM 13489 O O . PHE D 4 91 ? -11.695 -62.219 -54.283 1.00 54.69 ? 101 PHE D O 1 +ATOM 13490 C CB . PHE D 4 91 ? -13.354 -64.801 -53.216 1.00 55.60 ? 101 PHE D CB 1 +ATOM 13491 C CG . PHE D 4 91 ? -11.903 -65.043 -52.935 1.00 63.72 ? 101 PHE D CG 1 +ATOM 13492 C CD1 . PHE D 4 91 ? -11.387 -64.821 -51.655 1.00 56.34 ? 101 PHE D CD1 1 +ATOM 13493 C CD2 . PHE D 4 91 ? -11.040 -65.448 -53.947 1.00 50.78 ? 101 PHE D CD2 1 +ATOM 13494 C CE1 . PHE D 4 91 ? -10.051 -65.026 -51.395 1.00 57.88 ? 101 PHE D CE1 1 +ATOM 13495 C CE2 . PHE D 4 91 ? -9.697 -65.643 -53.692 1.00 51.59 ? 101 PHE D CE2 1 +ATOM 13496 C CZ . PHE D 4 91 ? -9.205 -65.456 -52.421 1.00 53.24 ? 101 PHE D CZ 1 +ATOM 13497 N N . THR D 4 92 ? -13.069 -63.048 -55.870 1.00 57.90 ? 102 THR D N 1 +ATOM 13498 C CA . THR D 4 92 ? -12.198 -62.624 -56.964 1.00 55.70 ? 102 THR D CA 1 +ATOM 13499 C C . THR D 4 92 ? -12.196 -61.103 -57.084 1.00 65.90 ? 102 THR D C 1 +ATOM 13500 O O . THR D 4 92 ? -11.132 -60.476 -57.193 1.00 50.86 ? 102 THR D O 1 +ATOM 13501 C CB . THR D 4 92 ? -12.638 -63.301 -58.272 1.00 57.19 ? 102 THR D CB 1 +ATOM 13502 O OG1 . THR D 4 92 ? -12.484 -64.724 -58.133 1.00 55.01 ? 102 THR D OG1 1 +ATOM 13503 C CG2 . THR D 4 92 ? -11.804 -62.822 -59.464 1.00 45.76 ? 102 THR D CG2 1 +ATOM 13504 N N . ARG D 4 93 ? -13.382 -60.495 -57.017 1.00 53.63 ? 103 ARG D N 1 +ATOM 13505 C CA . ARG D 4 93 ? -13.477 -59.043 -57.042 1.00 54.67 ? 103 ARG D CA 1 +ATOM 13506 C C . ARG D 4 93 ? -12.738 -58.430 -55.858 1.00 55.14 ? 103 ARG D C 1 +ATOM 13507 O O . ARG D 4 93 ? -11.948 -57.496 -56.026 1.00 55.56 ? 103 ARG D O 1 +ATOM 13508 C CB . ARG D 4 93 ? -14.946 -58.624 -57.050 1.00 58.45 ? 103 ARG D CB 1 +ATOM 13509 C CG . ARG D 4 93 ? -15.689 -59.059 -58.298 1.00 74.48 ? 103 ARG D CG 1 +ATOM 13510 C CD . ARG D 4 93 ? -15.232 -58.298 -59.534 1.00 72.57 ? 103 ARG D CD 1 +ATOM 13511 N NE . ARG D 4 93 ? -15.872 -58.856 -60.715 1.00 73.18 ? 103 ARG D NE 1 +ATOM 13512 C CZ . ARG D 4 93 ? -15.352 -59.833 -61.439 1.00 75.85 ? 103 ARG D CZ 1 +ATOM 13513 N NH1 . ARG D 4 93 ? -14.154 -60.323 -61.173 1.00 79.47 ? 103 ARG D NH1 1 +ATOM 13514 N NH2 . ARG D 4 93 ? -16.052 -60.335 -62.450 1.00 85.07 ? 103 ARG D NH2 1 +ATOM 13515 N N . TRP D 4 94 ? -12.991 -58.958 -54.657 1.00 54.80 ? 104 TRP D N 1 +ATOM 13516 C CA . TRP D 4 94 ? -12.285 -58.557 -53.443 1.00 56.43 ? 104 TRP D CA 1 +ATOM 13517 C C . TRP D 4 94 ? -10.782 -58.493 -53.661 1.00 50.60 ? 104 TRP D C 1 +ATOM 13518 O O . TRP D 4 94 ? -10.135 -57.519 -53.278 1.00 53.01 ? 104 TRP D O 1 +ATOM 13519 C CB . TRP D 4 94 ? -12.620 -59.550 -52.337 1.00 54.91 ? 104 TRP D CB 1 +ATOM 13520 C CG . TRP D 4 94 ? -12.150 -59.200 -50.965 1.00 56.27 ? 104 TRP D CG 1 +ATOM 13521 C CD1 . TRP D 4 94 ? -12.510 -58.120 -50.231 1.00 52.29 ? 104 TRP D CD1 1 +ATOM 13522 C CD2 . TRP D 4 94 ? -11.277 -59.977 -50.137 1.00 46.00 ? 104 TRP D CD2 1 +ATOM 13523 N NE1 . TRP D 4 94 ? -11.910 -58.159 -49.002 1.00 56.67 ? 104 TRP D NE1 1 +ATOM 13524 C CE2 . TRP D 4 94 ? -11.142 -59.287 -48.919 1.00 53.52 ? 104 TRP D CE2 1 +ATOM 13525 C CE3 . TRP D 4 94 ? -10.595 -61.181 -50.308 1.00 53.15 ? 104 TRP D CE3 1 +ATOM 13526 C CZ2 . TRP D 4 94 ? -10.353 -59.767 -47.868 1.00 52.37 ? 104 TRP D CZ2 1 +ATOM 13527 C CZ3 . TRP D 4 94 ? -9.802 -61.661 -49.258 1.00 53.85 ? 104 TRP D CZ3 1 +ATOM 13528 C CH2 . TRP D 4 94 ? -9.693 -60.955 -48.062 1.00 60.78 ? 104 TRP D CH2 1 +ATOM 13529 N N . CYS D 4 95 ? -10.210 -59.529 -54.276 1.00 51.19 ? 105 CYS D N 1 +ATOM 13530 C CA . CYS D 4 95 ? -8.782 -59.525 -54.565 1.00 50.63 ? 105 CYS D CA 1 +ATOM 13531 C C . CYS D 4 95 ? -8.417 -58.404 -55.524 1.00 57.43 ? 105 CYS D C 1 +ATOM 13532 O O . CYS D 4 95 ? -7.390 -57.745 -55.349 1.00 54.35 ? 105 CYS D O 1 +ATOM 13533 C CB . CYS D 4 95 ? -8.344 -60.874 -55.141 1.00 46.26 ? 105 CYS D CB 1 +ATOM 13534 S SG . CYS D 4 95 ? -8.279 -62.194 -53.910 1.00 54.27 ? 105 CYS D SG 1 +ATOM 13535 N N . GLN D 4 96 ? -9.243 -58.173 -56.544 1.00 53.14 ? 106 GLN D N 1 +ATOM 13536 C CA . GLN D 4 96 ? -8.907 -57.170 -57.546 1.00 57.00 ? 106 GLN D CA 1 +ATOM 13537 C C . GLN D 4 96 ? -9.073 -55.748 -57.013 1.00 54.55 ? 106 GLN D C 1 +ATOM 13538 O O . GLN D 4 96 ? -8.474 -54.818 -57.565 1.00 51.43 ? 106 GLN D O 1 +ATOM 13539 C CB . GLN D 4 96 ? -9.767 -57.367 -58.805 1.00 52.98 ? 106 GLN D CB 1 +ATOM 13540 C CG . GLN D 4 96 ? -9.623 -58.756 -59.480 1.00 50.71 ? 106 GLN D CG 1 +ATOM 13541 C CD . GLN D 4 96 ? -10.713 -59.009 -60.531 1.00 64.29 ? 106 GLN D CD 1 +ATOM 13542 O OE1 . GLN D 4 96 ? -11.904 -58.806 -60.274 1.00 56.11 ? 106 GLN D OE1 1 +ATOM 13543 N NE2 . GLN D 4 96 ? -10.301 -59.446 -61.723 1.00 52.14 ? 106 GLN D NE2 1 +ATOM 13544 N N . LEU D 4 97 ? -9.882 -55.562 -55.978 1.00 48.03 ? 107 LEU D N 1 +ATOM 13545 C CA . LEU D 4 97 ? -10.152 -54.251 -55.427 1.00 54.17 ? 107 LEU D CA 1 +ATOM 13546 C C . LEU D 4 97 ? -9.197 -53.885 -54.301 1.00 56.04 ? 107 LEU D C 1 +ATOM 13547 O O . LEU D 4 97 ? -9.281 -52.771 -53.783 1.00 54.18 ? 107 LEU D O 1 +ATOM 13548 C CB . LEU D 4 97 ? -11.596 -54.178 -54.911 1.00 50.96 ? 107 LEU D CB 1 +ATOM 13549 C CG . LEU D 4 97 ? -12.687 -54.267 -55.971 1.00 55.70 ? 107 LEU D CG 1 +ATOM 13550 C CD1 . LEU D 4 97 ? -14.057 -54.235 -55.312 1.00 62.78 ? 107 LEU D CD1 1 +ATOM 13551 C CD2 . LEU D 4 97 ? -12.533 -53.144 -56.986 1.00 56.27 ? 107 LEU D CD2 1 +ATOM 13552 N N . GLY D 4 98 ? -8.311 -54.796 -53.904 1.00 49.07 ? 108 GLY D N 1 +ATOM 13553 C CA . GLY D 4 98 ? -7.370 -54.532 -52.834 1.00 48.70 ? 108 GLY D CA 1 +ATOM 13554 C C . GLY D 4 98 ? -7.787 -54.992 -51.466 1.00 51.26 ? 108 GLY D C 1 +ATOM 13555 O O . GLY D 4 98 ? -7.228 -54.511 -50.473 1.00 51.63 ? 108 GLY D O 1 +ATOM 13556 N N . GLY D 4 99 ? -8.750 -55.913 -51.374 1.00 57.56 ? 109 GLY D N 1 +ATOM 13557 C CA . GLY D 4 99 ? -9.191 -56.401 -50.081 1.00 46.34 ? 109 GLY D CA 1 +ATOM 13558 C C . GLY D 4 99 ? -8.116 -57.131 -49.302 1.00 48.80 ? 109 GLY D C 1 +ATOM 13559 O O . GLY D 4 99 ? -8.184 -57.166 -48.077 1.00 51.80 ? 109 GLY D O 1 +ATOM 13560 N N . LEU D 4 100 ? -7.119 -57.704 -49.980 1.00 48.49 ? 110 LEU D N 1 +ATOM 13561 C CA . LEU D 4 100 ? -6.038 -58.365 -49.258 1.00 46.00 ? 110 LEU D CA 1 +ATOM 13562 C C . LEU D 4 100 ? -5.204 -57.377 -48.456 1.00 50.15 ? 110 LEU D C 1 +ATOM 13563 O O . LEU D 4 100 ? -4.591 -57.763 -47.457 1.00 51.41 ? 110 LEU D O 1 +ATOM 13564 C CB . LEU D 4 100 ? -5.146 -59.156 -50.227 1.00 53.38 ? 110 LEU D CB 1 +ATOM 13565 C CG . LEU D 4 100 ? -5.734 -60.511 -50.662 1.00 57.29 ? 110 LEU D CG 1 +ATOM 13566 C CD1 . LEU D 4 100 ? -4.805 -61.289 -51.579 1.00 54.68 ? 110 LEU D CD1 1 +ATOM 13567 C CD2 . LEU D 4 100 ? -6.113 -61.370 -49.450 1.00 54.61 ? 110 LEU D CD2 1 +ATOM 13568 N N . TRP D 4 101 ? -5.167 -56.103 -48.863 1.00 52.54 ? 111 TRP D N 1 +ATOM 13569 C CA . TRP D 4 101 ? -4.365 -55.137 -48.122 1.00 50.79 ? 111 TRP D CA 1 +ATOM 13570 C C . TRP D 4 101 ? -4.954 -54.902 -46.737 1.00 44.11 ? 111 TRP D C 1 +ATOM 13571 O O . TRP D 4 101 ? -4.255 -55.036 -45.723 1.00 46.39 ? 111 TRP D O 1 +ATOM 13572 C CB . TRP D 4 101 ? -4.217 -53.805 -48.894 1.00 47.41 ? 111 TRP D CB 1 +ATOM 13573 C CG . TRP D 4 101 ? -3.193 -52.919 -48.170 1.00 52.54 ? 111 TRP D CG 1 +ATOM 13574 C CD1 . TRP D 4 101 ? -1.843 -52.871 -48.400 1.00 45.74 ? 111 TRP D CD1 1 +ATOM 13575 C CD2 . TRP D 4 101 ? -3.436 -52.044 -47.060 1.00 42.65 ? 111 TRP D CD2 1 +ATOM 13576 N NE1 . TRP D 4 101 ? -1.247 -52.002 -47.534 1.00 48.01 ? 111 TRP D NE1 1 +ATOM 13577 C CE2 . TRP D 4 101 ? -2.194 -51.491 -46.689 1.00 50.76 ? 111 TRP D CE2 1 +ATOM 13578 C CE3 . TRP D 4 101 ? -4.578 -51.677 -46.346 1.00 45.01 ? 111 TRP D CE3 1 +ATOM 13579 C CZ2 . TRP D 4 101 ? -2.058 -50.598 -45.629 1.00 41.48 ? 111 TRP D CZ2 1 +ATOM 13580 C CZ3 . TRP D 4 101 ? -4.450 -50.787 -45.306 1.00 48.47 ? 111 TRP D CZ3 1 +ATOM 13581 C CH2 . TRP D 4 101 ? -3.195 -50.254 -44.949 1.00 43.31 ? 111 TRP D CH2 1 +ATOM 13582 N N . THR D 4 102 ? -6.235 -54.535 -46.665 1.00 41.08 ? 112 THR D N 1 +ATOM 13583 C CA . THR D 4 102 ? -6.826 -54.362 -45.333 1.00 48.33 ? 112 THR D CA 1 +ATOM 13584 C C . THR D 4 102 ? -6.841 -55.674 -44.573 1.00 48.68 ? 112 THR D C 1 +ATOM 13585 O O . THR D 4 102 ? -6.669 -55.682 -43.348 1.00 56.27 ? 112 THR D O 1 +ATOM 13586 C CB . THR D 4 102 ? -8.249 -53.776 -45.412 1.00 58.42 ? 112 THR D CB 1 +ATOM 13587 O OG1 . THR D 4 102 ? -9.091 -54.606 -46.234 1.00 55.28 ? 112 THR D OG1 1 +ATOM 13588 C CG2 . THR D 4 102 ? -8.222 -52.341 -45.989 1.00 42.57 ? 112 THR D CG2 1 +ATOM 13589 N N . PHE D 4 103 ? -7.025 -56.793 -45.282 1.00 49.13 ? 113 PHE D N 1 +ATOM 13590 C CA . PHE D 4 103 ? -6.972 -58.105 -44.640 1.00 49.74 ? 113 PHE D CA 1 +ATOM 13591 C C . PHE D 4 103 ? -5.635 -58.310 -43.934 1.00 43.93 ? 113 PHE D C 1 +ATOM 13592 O O . PHE D 4 103 ? -5.597 -58.691 -42.763 1.00 49.24 ? 113 PHE D O 1 +ATOM 13593 C CB . PHE D 4 103 ? -7.229 -59.193 -45.688 1.00 43.86 ? 113 PHE D CB 1 +ATOM 13594 C CG . PHE D 4 103 ? -7.245 -60.610 -45.149 1.00 55.41 ? 113 PHE D CG 1 +ATOM 13595 C CD1 . PHE D 4 103 ? -6.074 -61.376 -45.124 1.00 48.00 ? 113 PHE D CD1 1 +ATOM 13596 C CD2 . PHE D 4 103 ? -8.440 -61.201 -44.725 1.00 56.59 ? 113 PHE D CD2 1 +ATOM 13597 C CE1 . PHE D 4 103 ? -6.075 -62.690 -44.646 1.00 53.13 ? 113 PHE D CE1 1 +ATOM 13598 C CE2 . PHE D 4 103 ? -8.454 -62.535 -44.252 1.00 63.00 ? 113 PHE D CE2 1 +ATOM 13599 C CZ . PHE D 4 103 ? -7.270 -63.274 -44.217 1.00 50.90 ? 113 PHE D CZ 1 +ATOM 13600 N N . ILE D 4 104 ? -4.525 -58.055 -44.629 1.00 47.51 ? 114 ILE D N 1 +ATOM 13601 C CA . ILE D 4 104 ? -3.216 -58.234 -44.006 1.00 50.56 ? 114 ILE D CA 1 +ATOM 13602 C C . ILE D 4 104 ? -3.001 -57.225 -42.889 1.00 46.40 ? 114 ILE D C 1 +ATOM 13603 O O . ILE D 4 104 ? -2.527 -57.579 -41.805 1.00 50.86 ? 114 ILE D O 1 +ATOM 13604 C CB . ILE D 4 104 ? -2.098 -58.137 -45.057 1.00 56.08 ? 114 ILE D CB 1 +ATOM 13605 C CG1 . ILE D 4 104 ? -2.167 -59.324 -46.013 1.00 48.66 ? 114 ILE D CG1 1 +ATOM 13606 C CG2 . ILE D 4 104 ? -0.732 -58.045 -44.352 1.00 45.11 ? 114 ILE D CG2 1 +ATOM 13607 C CD1 . ILE D 4 104 ? -1.316 -59.136 -47.285 1.00 48.46 ? 114 ILE D CD1 1 +ATOM 13608 N N . ALA D 4 105 ? -3.351 -55.960 -43.133 1.00 49.81 ? 115 ALA D N 1 +ATOM 13609 C CA . ALA D 4 105 ? -3.084 -54.902 -42.163 1.00 46.59 ? 115 ALA D CA 1 +ATOM 13610 C C . ALA D 4 105 ? -3.883 -55.103 -40.890 1.00 46.28 ? 115 ALA D C 1 +ATOM 13611 O O . ALA D 4 105 ? -3.359 -54.924 -39.780 1.00 49.44 ? 115 ALA D O 1 +ATOM 13612 C CB . ALA D 4 105 ? -3.405 -53.534 -42.777 1.00 38.02 ? 115 ALA D CB 1 +ATOM 13613 N N . LEU D 4 106 ? -5.158 -55.472 -41.022 1.00 49.64 ? 116 LEU D N 1 +ATOM 13614 C CA . LEU D 4 106 ? -5.984 -55.642 -39.823 1.00 51.64 ? 116 LEU D CA 1 +ATOM 13615 C C . LEU D 4 106 ? -5.643 -56.927 -39.077 1.00 50.33 ? 116 LEU D C 1 +ATOM 13616 O O . LEU D 4 106 ? -5.535 -56.909 -37.846 1.00 51.00 ? 116 LEU D O 1 +ATOM 13617 C CB . LEU D 4 106 ? -7.469 -55.602 -40.186 1.00 48.12 ? 116 LEU D CB 1 +ATOM 13618 C CG . LEU D 4 106 ? -7.913 -54.271 -40.803 1.00 55.69 ? 116 LEU D CG 1 +ATOM 13619 C CD1 . LEU D 4 106 ? -9.334 -54.373 -41.323 1.00 53.21 ? 116 LEU D CD1 1 +ATOM 13620 C CD2 . LEU D 4 106 ? -7.798 -53.119 -39.799 1.00 52.57 ? 116 LEU D CD2 1 +ATOM 13621 N N . HIS D 4 107 ? -5.478 -58.057 -39.785 1.00 49.68 ? 117 HIS D N 1 +ATOM 13622 C CA . HIS D 4 107 ? -5.082 -59.271 -39.058 1.00 50.57 ? 117 HIS D CA 1 +ATOM 13623 C C . HIS D 4 107 ? -3.680 -59.100 -38.482 1.00 49.34 ? 117 HIS D C 1 +ATOM 13624 O O . HIS D 4 107 ? -3.379 -59.628 -37.407 1.00 52.55 ? 117 HIS D O 1 +ATOM 13625 C CB . HIS D 4 107 ? -5.160 -60.530 -39.957 1.00 47.36 ? 117 HIS D CB 1 +ATOM 13626 C CG . HIS D 4 107 ? -6.564 -61.029 -40.209 1.00 58.95 ? 117 HIS D CG 1 +ATOM 13627 N ND1 . HIS D 4 107 ? -7.307 -60.650 -41.308 1.00 49.05 ? 117 HIS D ND1 1 +ATOM 13628 C CD2 . HIS D 4 107 ? -7.359 -61.870 -39.497 1.00 54.76 ? 117 HIS D CD2 1 +ATOM 13629 C CE1 . HIS D 4 107 ? -8.502 -61.212 -41.250 1.00 55.26 ? 117 HIS D CE1 1 +ATOM 13630 N NE2 . HIS D 4 107 ? -8.555 -61.970 -40.170 1.00 54.44 ? 117 HIS D NE2 1 +ATOM 13631 N N . GLY D 4 108 ? -2.819 -58.339 -39.168 1.00 55.01 ? 118 GLY D N 1 +ATOM 13632 C CA . GLY D 4 108 ? -1.495 -58.075 -38.622 1.00 55.29 ? 118 GLY D CA 1 +ATOM 13633 C C . GLY D 4 108 ? -1.555 -57.260 -37.347 1.00 48.49 ? 118 GLY D C 1 +ATOM 13634 O O . GLY D 4 108 ? -0.892 -57.581 -36.352 1.00 49.23 ? 118 GLY D O 1 +ATOM 13635 N N . ALA D 4 109 ? -2.368 -56.200 -37.352 1.00 44.38 ? 119 ALA D N 1 +ATOM 13636 C CA . ALA D 4 109 ? -2.528 -55.392 -36.148 1.00 45.60 ? 119 ALA D CA 1 +ATOM 13637 C C . ALA D 4 109 ? -2.952 -56.259 -34.966 1.00 56.25 ? 119 ALA D C 1 +ATOM 13638 O O . ALA D 4 109 ? -2.339 -56.207 -33.894 1.00 50.67 ? 119 ALA D O 1 +ATOM 13639 C CB . ALA D 4 109 ? -3.527 -54.255 -36.394 1.00 37.81 ? 119 ALA D CB 1 +ATOM 13640 N N . PHE D 4 110 ? -3.984 -57.089 -35.150 1.00 57.56 ? 120 PHE D N 1 +ATOM 13641 C CA . PHE D 4 110 ? -4.429 -57.930 -34.040 1.00 57.55 ? 120 PHE D CA 1 +ATOM 13642 C C . PHE D 4 110 ? -3.426 -59.031 -33.733 1.00 50.29 ? 120 PHE D C 1 +ATOM 13643 O O . PHE D 4 110 ? -3.317 -59.464 -32.577 1.00 51.66 ? 120 PHE D O 1 +ATOM 13644 C CB . PHE D 4 110 ? -5.810 -58.504 -34.336 1.00 46.81 ? 120 PHE D CB 1 +ATOM 13645 C CG . PHE D 4 110 ? -6.904 -57.485 -34.221 1.00 55.35 ? 120 PHE D CG 1 +ATOM 13646 C CD1 . PHE D 4 110 ? -7.318 -57.032 -32.974 1.00 57.86 ? 120 PHE D CD1 1 +ATOM 13647 C CD2 . PHE D 4 110 ? -7.496 -56.959 -35.346 1.00 60.02 ? 120 PHE D CD2 1 +ATOM 13648 C CE1 . PHE D 4 110 ? -8.316 -56.094 -32.859 1.00 63.34 ? 120 PHE D CE1 1 +ATOM 13649 C CE2 . PHE D 4 110 ? -8.497 -56.008 -35.243 1.00 62.78 ? 120 PHE D CE2 1 +ATOM 13650 C CZ . PHE D 4 110 ? -8.908 -55.573 -34.005 1.00 58.48 ? 120 PHE D CZ 1 +ATOM 13651 N N . GLY D 4 111 ? -2.677 -59.487 -34.744 1.00 52.86 ? 121 GLY D N 1 +ATOM 13652 C CA . GLY D 4 111 ? -1.601 -60.429 -34.474 1.00 49.37 ? 121 GLY D CA 1 +ATOM 13653 C C . GLY D 4 111 ? -0.535 -59.840 -33.572 1.00 53.75 ? 121 GLY D C 1 +ATOM 13654 O O . GLY D 4 111 ? -0.013 -60.521 -32.687 1.00 49.60 ? 121 GLY D O 1 +ATOM 13655 N N . LEU D 4 112 ? -0.195 -58.556 -33.791 1.00 55.67 ? 122 LEU D N 1 +ATOM 13656 C CA . LEU D 4 112 ? 0.813 -57.890 -32.977 1.00 42.14 ? 122 LEU D CA 1 +ATOM 13657 C C . LEU D 4 112 ? 0.321 -57.705 -31.553 1.00 49.79 ? 122 LEU D C 1 +ATOM 13658 O O . LEU D 4 112 ? 1.076 -57.914 -30.598 1.00 48.65 ? 122 LEU D O 1 +ATOM 13659 C CB . LEU D 4 112 ? 1.183 -56.545 -33.594 1.00 43.87 ? 122 LEU D CB 1 +ATOM 13660 C CG . LEU D 4 112 ? 1.984 -56.526 -34.889 1.00 47.62 ? 122 LEU D CG 1 +ATOM 13661 C CD1 . LEU D 4 112 ? 2.118 -55.083 -35.357 1.00 42.20 ? 122 LEU D CD1 1 +ATOM 13662 C CD2 . LEU D 4 112 ? 3.355 -57.177 -34.702 1.00 41.22 ? 122 LEU D CD2 1 +ATOM 13663 N N . ILE D 4 113 ? -0.943 -57.310 -31.390 1.00 43.48 ? 123 ILE D N 1 +ATOM 13664 C CA . ILE D 4 113 ? -1.542 -57.300 -30.057 1.00 48.63 ? 123 ILE D CA 1 +ATOM 13665 C C . ILE D 4 113 ? -1.359 -58.659 -29.387 1.00 50.16 ? 123 ILE D C 1 +ATOM 13666 O O . ILE D 4 113 ? -0.954 -58.757 -28.221 1.00 51.28 ? 123 ILE D O 1 +ATOM 13667 C CB . ILE D 4 113 ? -3.033 -56.922 -30.145 1.00 56.54 ? 123 ILE D CB 1 +ATOM 13668 C CG1 . ILE D 4 113 ? -3.195 -55.492 -30.689 1.00 54.09 ? 123 ILE D CG1 1 +ATOM 13669 C CG2 . ILE D 4 113 ? -3.710 -57.156 -28.790 1.00 58.86 ? 123 ILE D CG2 1 +ATOM 13670 C CD1 . ILE D 4 113 ? -4.617 -54.975 -30.675 1.00 56.76 ? 123 ILE D CD1 1 +ATOM 13671 N N . GLY D 4 114 ? -1.619 -59.737 -30.137 1.00 51.23 ? 124 GLY D N 1 +ATOM 13672 C CA . GLY D 4 114 ? -1.555 -61.067 -29.552 1.00 50.18 ? 124 GLY D CA 1 +ATOM 13673 C C . GLY D 4 114 ? -0.142 -61.482 -29.187 1.00 51.35 ? 124 GLY D C 1 +ATOM 13674 O O . GLY D 4 114 ? 0.071 -62.177 -28.189 1.00 53.13 ? 124 GLY D O 1 +ATOM 13675 N N . PHE D 4 115 ? 0.846 -61.062 -29.982 1.00 53.31 ? 125 PHE D N 1 +ATOM 13676 C CA . PHE D 4 115 ? 2.230 -61.360 -29.628 1.00 49.69 ? 125 PHE D CA 1 +ATOM 13677 C C . PHE D 4 115 ? 2.636 -60.637 -28.349 1.00 58.95 ? 125 PHE D C 1 +ATOM 13678 O O . PHE D 4 115 ? 3.345 -61.200 -27.506 1.00 47.91 ? 125 PHE D O 1 +ATOM 13679 C CB . PHE D 4 115 ? 3.163 -60.989 -30.781 1.00 50.00 ? 125 PHE D CB 1 +ATOM 13680 C CG . PHE D 4 115 ? 4.531 -61.589 -30.655 1.00 52.02 ? 125 PHE D CG 1 +ATOM 13681 C CD1 . PHE D 4 115 ? 4.779 -62.880 -31.092 1.00 49.29 ? 125 PHE D CD1 1 +ATOM 13682 C CD2 . PHE D 4 115 ? 5.570 -60.868 -30.076 1.00 51.53 ? 125 PHE D CD2 1 +ATOM 13683 C CE1 . PHE D 4 115 ? 6.042 -63.438 -30.968 1.00 50.55 ? 125 PHE D CE1 1 +ATOM 13684 C CE2 . PHE D 4 115 ? 6.835 -61.426 -29.951 1.00 52.21 ? 125 PHE D CE2 1 +ATOM 13685 C CZ . PHE D 4 115 ? 7.068 -62.713 -30.391 1.00 48.50 ? 125 PHE D CZ 1 +ATOM 13686 N N . MET D 4 116 ? 2.187 -59.388 -28.175 1.00 47.64 ? 126 MET D N 1 +ATOM 13687 C CA . MET D 4 116 ? 2.545 -58.681 -26.959 1.00 58.69 ? 126 MET D CA 1 +ATOM 13688 C C . MET D 4 116 ? 1.814 -59.267 -25.748 1.00 56.11 ? 126 MET D C 1 +ATOM 13689 O O . MET D 4 116 ? 2.372 -59.319 -24.643 1.00 50.59 ? 126 MET D O 1 +ATOM 13690 C CB . MET D 4 116 ? 2.269 -57.183 -27.126 1.00 44.32 ? 126 MET D CB 1 +ATOM 13691 C CG . MET D 4 116 ? 2.861 -56.323 -26.014 1.00 50.42 ? 126 MET D CG 1 +ATOM 13692 S SD . MET D 4 116 ? 2.801 -54.544 -26.413 1.00 59.04 ? 126 MET D SD 1 +ATOM 13693 C CE . MET D 4 116 ? 3.122 -53.897 -24.801 1.00 56.97 ? 126 MET D CE 1 +ATOM 13694 N N . LEU D 4 117 ? 0.566 -59.713 -25.927 1.00 47.22 ? 127 LEU D N 1 +ATOM 13695 C CA . LEU D 4 117 ? -0.093 -60.433 -24.835 1.00 54.26 ? 127 LEU D CA 1 +ATOM 13696 C C . LEU D 4 117 ? 0.652 -61.730 -24.510 1.00 48.05 ? 127 LEU D C 1 +ATOM 13697 O O . LEU D 4 117 ? 0.715 -62.140 -23.346 1.00 52.11 ? 127 LEU D O 1 +ATOM 13698 C CB . LEU D 4 117 ? -1.553 -60.721 -25.194 1.00 48.08 ? 127 LEU D CB 1 +ATOM 13699 C CG . LEU D 4 117 ? -2.442 -59.482 -25.304 1.00 52.87 ? 127 LEU D CG 1 +ATOM 13700 C CD1 . LEU D 4 117 ? -3.774 -59.791 -25.949 1.00 45.39 ? 127 LEU D CD1 1 +ATOM 13701 C CD2 . LEU D 4 117 ? -2.637 -58.887 -23.894 1.00 49.90 ? 127 LEU D CD2 1 +ATOM 13702 N N . ARG D 4 118 ? 1.225 -62.385 -25.529 1.00 45.73 ? 128 ARG D N 1 +ATOM 13703 C CA . ARG D 4 118 ? 2.016 -63.589 -25.291 1.00 49.88 ? 128 ARG D CA 1 +ATOM 13704 C C . ARG D 4 118 ? 3.243 -63.283 -24.438 1.00 54.48 ? 128 ARG D C 1 +ATOM 13705 O O . ARG D 4 118 ? 3.581 -64.047 -23.527 1.00 55.88 ? 128 ARG D O 1 +ATOM 13706 C CB . ARG D 4 118 ? 2.408 -64.222 -26.630 1.00 49.68 ? 128 ARG D CB 1 +ATOM 13707 C CG . ARG D 4 118 ? 3.307 -65.455 -26.556 1.00 45.28 ? 128 ARG D CG 1 +ATOM 13708 C CD . ARG D 4 118 ? 3.769 -65.818 -27.955 1.00 48.96 ? 128 ARG D CD 1 +ATOM 13709 N NE . ARG D 4 118 ? 4.538 -67.056 -28.016 1.00 52.71 ? 128 ARG D NE 1 +ATOM 13710 C CZ . ARG D 4 118 ? 4.000 -68.272 -28.033 1.00 62.18 ? 128 ARG D CZ 1 +ATOM 13711 N NH1 . ARG D 4 118 ? 2.699 -68.455 -27.877 1.00 51.45 ? 128 ARG D NH1 1 +ATOM 13712 N NH2 . ARG D 4 118 ? 4.786 -69.330 -28.222 1.00 49.59 ? 128 ARG D NH2 1 +ATOM 13713 N N A GLN D 4 119 ? 3.916 -62.162 -24.707 0.40 54.70 ? 129 GLN D N 1 +ATOM 13714 N N B GLN D 4 119 ? 3.911 -62.160 -24.711 0.60 54.84 ? 129 GLN D N 1 +ATOM 13715 C CA A GLN D 4 119 ? 5.065 -61.769 -23.899 0.40 50.75 ? 129 GLN D CA 1 +ATOM 13716 C CA B GLN D 4 119 ? 5.057 -61.765 -23.899 0.60 50.76 ? 129 GLN D CA 1 +ATOM 13717 C C A GLN D 4 119 ? 4.665 -61.537 -22.448 0.40 51.94 ? 129 GLN D C 1 +ATOM 13718 C C B GLN D 4 119 ? 4.647 -61.565 -22.448 0.60 51.98 ? 129 GLN D C 1 +ATOM 13719 O O A GLN D 4 119 ? 5.375 -61.956 -21.528 0.40 51.13 ? 129 GLN D O 1 +ATOM 13720 O O B GLN D 4 119 ? 5.310 -62.056 -21.530 0.60 51.23 ? 129 GLN D O 1 +ATOM 13721 C CB A GLN D 4 119 ? 5.712 -60.511 -24.493 0.40 49.93 ? 129 GLN D CB 1 +ATOM 13722 C CB B GLN D 4 119 ? 5.684 -60.493 -24.477 0.60 49.92 ? 129 GLN D CB 1 +ATOM 13723 C CG A GLN D 4 119 ? 6.343 -60.739 -25.866 0.40 44.98 ? 129 GLN D CG 1 +ATOM 13724 C CG B GLN D 4 119 ? 6.387 -60.707 -25.814 0.60 44.90 ? 129 GLN D CG 1 +ATOM 13725 C CD A GLN D 4 119 ? 6.711 -59.424 -26.556 0.40 51.94 ? 129 GLN D CD 1 +ATOM 13726 C CD B GLN D 4 119 ? 6.665 -59.404 -26.551 0.60 52.09 ? 129 GLN D CD 1 +ATOM 13727 O OE1 A GLN D 4 119 ? 5.895 -58.513 -26.634 0.40 50.01 ? 129 GLN D OE1 1 +ATOM 13728 O OE1 B GLN D 4 119 ? 5.810 -58.517 -26.600 0.60 50.05 ? 129 GLN D OE1 1 +ATOM 13729 N NE2 A GLN D 4 119 ? 7.937 -59.331 -27.054 0.40 45.36 ? 129 GLN D NE2 1 +ATOM 13730 N NE2 B GLN D 4 119 ? 7.860 -59.283 -27.123 0.60 45.22 ? 129 GLN D NE2 1 +ATOM 13731 N N . PHE D 4 120 ? 3.538 -60.859 -22.223 1.00 48.19 ? 130 PHE D N 1 +ATOM 13732 C CA . PHE D 4 120 ? 3.017 -60.710 -20.870 1.00 47.19 ? 130 PHE D CA 1 +ATOM 13733 C C . PHE D 4 120 ? 2.675 -62.067 -20.258 1.00 55.20 ? 130 PHE D C 1 +ATOM 13734 O O . PHE D 4 120 ? 3.036 -62.352 -19.107 1.00 53.42 ? 130 PHE D O 1 +ATOM 13735 C CB . PHE D 4 120 ? 1.777 -59.816 -20.885 1.00 49.30 ? 130 PHE D CB 1 +ATOM 13736 C CG . PHE D 4 120 ? 2.075 -58.337 -20.895 1.00 52.33 ? 130 PHE D CG 1 +ATOM 13737 C CD1 . PHE D 4 120 ? 2.741 -57.744 -19.838 1.00 56.25 ? 130 PHE D CD1 1 +ATOM 13738 C CD2 . PHE D 4 120 ? 1.653 -57.527 -21.960 1.00 50.15 ? 130 PHE D CD2 1 +ATOM 13739 C CE1 . PHE D 4 120 ? 3.001 -56.355 -19.826 1.00 59.19 ? 130 PHE D CE1 1 +ATOM 13740 C CE2 . PHE D 4 120 ? 1.902 -56.149 -21.955 1.00 46.28 ? 130 PHE D CE2 1 +ATOM 13741 C CZ . PHE D 4 120 ? 2.584 -55.565 -20.890 1.00 48.51 ? 130 PHE D CZ 1 +ATOM 13742 N N . GLU D 4 121 ? 1.970 -62.916 -21.019 1.00 52.31 ? 131 GLU D N 1 +ATOM 13743 C CA . GLU D 4 121 ? 1.452 -64.169 -20.464 1.00 59.69 ? 131 GLU D CA 1 +ATOM 13744 C C . GLU D 4 121 ? 2.593 -65.100 -20.053 1.00 52.02 ? 131 GLU D C 1 +ATOM 13745 O O . GLU D 4 121 ? 2.628 -65.595 -18.923 1.00 56.65 ? 131 GLU D O 1 +ATOM 13746 C CB . GLU D 4 121 ? 0.511 -64.843 -21.478 1.00 51.41 ? 131 GLU D CB 1 +ATOM 13747 C CG . GLU D 4 121 ? -0.077 -66.171 -21.007 1.00 62.86 ? 131 GLU D CG 1 +ATOM 13748 C CD . GLU D 4 121 ? -1.220 -66.678 -21.878 1.00 60.33 ? 131 GLU D CD 1 +ATOM 13749 O OE1 . GLU D 4 121 ? -1.178 -66.502 -23.116 1.00 55.44 ? 131 GLU D OE1 1 +ATOM 13750 O OE2 . GLU D 4 121 ? -2.165 -67.268 -21.311 1.00 58.30 ? 131 GLU D OE2 1 +ATOM 13751 N N . ILE D 4 122 ? 3.566 -65.309 -20.941 1.00 52.08 ? 132 ILE D N 1 +ATOM 13752 C CA . ILE D 4 122 ? 4.698 -66.153 -20.591 1.00 47.60 ? 132 ILE D CA 1 +ATOM 13753 C C . ILE D 4 122 ? 5.518 -65.555 -19.448 1.00 56.58 ? 132 ILE D C 1 +ATOM 13754 O O . ILE D 4 122 ? 5.953 -66.281 -18.542 1.00 59.74 ? 132 ILE D O 1 +ATOM 13755 C CB . ILE D 4 122 ? 5.556 -66.423 -21.832 1.00 50.85 ? 132 ILE D CB 1 +ATOM 13756 C CG1 . ILE D 4 122 ? 4.727 -67.228 -22.845 1.00 49.99 ? 132 ILE D CG1 1 +ATOM 13757 C CG2 . ILE D 4 122 ? 6.845 -67.135 -21.419 1.00 53.51 ? 132 ILE D CG2 1 +ATOM 13758 C CD1 . ILE D 4 122 ? 5.455 -67.596 -24.109 1.00 57.38 ? 132 ILE D CD1 1 +ATOM 13759 N N A ALA D 4 123 ? 5.745 -64.230 -19.464 0.40 52.93 ? 133 ALA D N 1 +ATOM 13760 N N B ALA D 4 123 ? 5.750 -64.238 -19.469 0.60 53.04 ? 133 ALA D N 1 +ATOM 13761 C CA A ALA D 4 123 ? 6.517 -63.604 -18.386 0.40 52.18 ? 133 ALA D CA 1 +ATOM 13762 C CA B ALA D 4 123 ? 6.519 -63.614 -18.391 0.60 52.21 ? 133 ALA D CA 1 +ATOM 13763 C C A ALA D 4 123 ? 5.871 -63.849 -17.027 0.40 53.85 ? 133 ALA D C 1 +ATOM 13764 C C B ALA D 4 123 ? 5.876 -63.870 -17.032 0.60 53.86 ? 133 ALA D C 1 +ATOM 13765 O O A ALA D 4 123 ? 6.565 -64.054 -16.021 0.40 50.56 ? 133 ALA D O 1 +ATOM 13766 O O B ALA D 4 123 ? 6.576 -64.111 -16.040 0.60 50.54 ? 133 ALA D O 1 +ATOM 13767 C CB A ALA D 4 123 ? 6.667 -62.097 -18.625 0.40 45.33 ? 133 ALA D CB 1 +ATOM 13768 C CB B ALA D 4 123 ? 6.660 -62.107 -18.633 0.60 45.22 ? 133 ALA D CB 1 +ATOM 13769 N N . ARG D 4 124 ? 4.540 -63.814 -16.966 1.00 51.02 ? 134 ARG D N 1 +ATOM 13770 C CA . ARG D 4 124 ? 3.867 -63.990 -15.682 1.00 56.48 ? 134 ARG D CA 1 +ATOM 13771 C C . ARG D 4 124 ? 3.958 -65.441 -15.202 1.00 64.89 ? 134 ARG D C 1 +ATOM 13772 O O . ARG D 4 124 ? 4.061 -65.680 -13.999 1.00 61.48 ? 134 ARG D O 1 +ATOM 13773 C CB . ARG D 4 124 ? 2.409 -63.533 -15.799 1.00 57.27 ? 134 ARG D CB 1 +ATOM 13774 C CG . ARG D 4 124 ? 1.558 -63.662 -14.540 1.00 48.84 ? 134 ARG D CG 1 +ATOM 13775 C CD . ARG D 4 124 ? 2.005 -62.714 -13.451 1.00 56.28 ? 134 ARG D CD 1 +ATOM 13776 N NE . ARG D 4 124 ? 3.119 -63.252 -12.687 1.00 49.73 ? 134 ARG D NE 1 +ATOM 13777 C CZ . ARG D 4 124 ? 3.644 -62.681 -11.612 1.00 60.22 ? 134 ARG D CZ 1 +ATOM 13778 N NH1 . ARG D 4 124 ? 3.217 -61.509 -11.175 1.00 56.95 ? 134 ARG D NH1 1 +ATOM 13779 N NH2 . ARG D 4 124 ? 4.614 -63.312 -10.947 1.00 58.53 ? 134 ARG D NH2 1 +ATOM 13780 N N . LEU D 4 125 ? 3.963 -66.415 -16.131 1.00 58.06 ? 135 LEU D N 1 +ATOM 13781 C CA . LEU D 4 125 ? 4.078 -67.827 -15.764 1.00 68.65 ? 135 LEU D CA 1 +ATOM 13782 C C . LEU D 4 125 ? 5.490 -68.173 -15.296 1.00 62.23 ? 135 LEU D C 1 +ATOM 13783 O O . LEU D 4 125 ? 5.668 -68.898 -14.316 1.00 68.57 ? 135 LEU D O 1 +ATOM 13784 C CB . LEU D 4 125 ? 3.688 -68.716 -16.957 1.00 56.45 ? 135 LEU D CB 1 +ATOM 13785 C CG . LEU D 4 125 ? 2.256 -68.519 -17.460 1.00 64.25 ? 135 LEU D CG 1 +ATOM 13786 C CD1 . LEU D 4 125 ? 1.986 -69.300 -18.743 1.00 55.80 ? 135 LEU D CD1 1 +ATOM 13787 C CD2 . LEU D 4 125 ? 1.261 -68.891 -16.353 1.00 60.59 ? 135 LEU D CD2 1 +ATOM 13788 N N A VAL D 4 126 ? 6.510 -67.661 -15.988 0.40 61.81 ? 136 VAL D N 1 +ATOM 13789 N N B VAL D 4 126 ? 6.502 -67.678 -16.006 0.60 61.86 ? 136 VAL D N 1 +ATOM 13790 C CA A VAL D 4 126 ? 7.895 -67.979 -15.675 0.40 60.38 ? 136 VAL D CA 1 +ATOM 13791 C CA B VAL D 4 126 ? 7.884 -67.991 -15.670 0.60 60.27 ? 136 VAL D CA 1 +ATOM 13792 C C A VAL D 4 126 ? 8.406 -67.161 -14.492 0.40 62.40 ? 136 VAL D C 1 +ATOM 13793 C C B VAL D 4 126 ? 8.370 -67.192 -14.468 0.60 62.34 ? 136 VAL D C 1 +ATOM 13794 O O A VAL D 4 126 ? 9.383 -67.555 -13.846 0.40 68.33 ? 136 VAL D O 1 +ATOM 13795 O O B VAL D 4 126 ? 9.303 -67.621 -13.781 0.60 68.61 ? 136 VAL D O 1 +ATOM 13796 C CB A VAL D 4 126 ? 8.711 -67.770 -16.966 0.40 65.25 ? 136 VAL D CB 1 +ATOM 13797 C CB B VAL D 4 126 ? 8.723 -67.754 -16.940 0.60 65.36 ? 136 VAL D CB 1 +ATOM 13798 C CG1 A VAL D 4 126 ? 10.174 -67.457 -16.693 0.40 76.58 ? 136 VAL D CG1 1 +ATOM 13799 C CG1 B VAL D 4 126 ? 10.195 -67.567 -16.636 0.60 77.17 ? 136 VAL D CG1 1 +ATOM 13800 C CG2 A VAL D 4 126 ? 8.581 -68.981 -17.845 0.40 61.81 ? 136 VAL D CG2 1 +ATOM 13801 C CG2 B VAL D 4 126 ? 8.523 -68.902 -17.898 0.60 61.71 ? 136 VAL D CG2 1 +ATOM 13802 N N A GLY D 4 127 ? 7.753 -66.051 -14.166 0.40 55.50 ? 137 GLY D N 1 +ATOM 13803 N N B GLY D 4 127 ? 7.740 -66.060 -14.169 0.60 55.35 ? 137 GLY D N 1 +ATOM 13804 C CA A GLY D 4 127 ? 8.185 -65.223 -13.059 0.40 63.00 ? 137 GLY D CA 1 +ATOM 13805 C CA B GLY D 4 127 ? 8.165 -65.232 -13.061 0.60 63.06 ? 137 GLY D CA 1 +ATOM 13806 C C A GLY D 4 127 ? 9.243 -64.180 -13.365 0.40 65.22 ? 137 GLY D C 1 +ATOM 13807 C C B GLY D 4 127 ? 9.235 -64.206 -13.366 0.60 65.46 ? 137 GLY D C 1 +ATOM 13808 O O A GLY D 4 127 ? 10.024 -63.837 -12.471 0.40 53.49 ? 137 GLY D O 1 +ATOM 13809 O O B GLY D 4 127 ? 10.043 -63.901 -12.482 0.60 53.39 ? 137 GLY D O 1 +ATOM 13810 N N A VAL D 4 128 ? 9.306 -63.662 -14.595 0.40 57.05 ? 138 VAL D N 1 +ATOM 13811 N N B VAL D 4 128 ? 9.269 -63.651 -14.581 0.60 57.04 ? 138 VAL D N 1 +ATOM 13812 C CA A VAL D 4 128 ? 10.247 -62.593 -14.921 0.40 59.90 ? 138 VAL D CA 1 +ATOM 13813 C CA B VAL D 4 128 ? 10.226 -62.600 -14.920 0.60 60.01 ? 138 VAL D CA 1 +ATOM 13814 C C A VAL D 4 128 ? 9.492 -61.274 -15.071 0.40 56.80 ? 138 VAL D C 1 +ATOM 13815 C C B VAL D 4 128 ? 9.485 -61.278 -15.097 0.60 56.90 ? 138 VAL D C 1 +ATOM 13816 O O A VAL D 4 128 ? 8.268 -61.235 -15.232 0.40 52.46 ? 138 VAL D O 1 +ATOM 13817 O O B VAL D 4 128 ? 8.261 -61.234 -15.257 0.60 52.42 ? 138 VAL D O 1 +ATOM 13818 C CB A VAL D 4 128 ? 11.079 -62.902 -16.184 0.40 57.93 ? 138 VAL D CB 1 +ATOM 13819 C CB B VAL D 4 128 ? 11.061 -62.947 -16.175 0.60 58.03 ? 138 VAL D CB 1 +ATOM 13820 C CG1 A VAL D 4 128 ? 12.010 -64.074 -15.927 0.40 58.00 ? 138 VAL D CG1 1 +ATOM 13821 C CG1 B VAL D 4 128 ? 11.910 -64.192 -15.913 0.60 57.77 ? 138 VAL D CG1 1 +ATOM 13822 C CG2 A VAL D 4 128 ? 10.187 -63.166 -17.400 0.40 49.99 ? 138 VAL D CG2 1 +ATOM 13823 C CG2 B VAL D 4 128 ? 10.170 -63.139 -17.404 0.60 49.90 ? 138 VAL D CG2 1 +ATOM 13824 N N A ARG D 4 129 ? 10.241 -60.173 -14.992 0.40 57.02 ? 139 ARG D N 1 +ATOM 13825 N N B ARG D 4 129 ? 10.244 -60.183 -15.051 0.60 57.05 ? 139 ARG D N 1 +ATOM 13826 C CA A ARG D 4 129 ? 9.648 -58.860 -15.205 0.40 57.82 ? 139 ARG D CA 1 +ATOM 13827 C CA B ARG D 4 129 ? 9.657 -58.864 -15.250 0.60 57.85 ? 139 ARG D CA 1 +ATOM 13828 C C A ARG D 4 129 ? 9.324 -58.668 -16.687 0.40 52.15 ? 139 ARG D C 1 +ATOM 13829 C C B ARG D 4 129 ? 9.292 -58.674 -16.724 0.60 52.06 ? 139 ARG D C 1 +ATOM 13830 O O A ARG D 4 129 ? 10.022 -59.196 -17.553 0.40 51.40 ? 139 ARG D O 1 +ATOM 13831 O O B ARG D 4 129 ? 9.965 -59.201 -17.609 0.60 51.34 ? 139 ARG D O 1 +ATOM 13832 C CB A ARG D 4 129 ? 10.596 -57.771 -14.720 0.40 57.33 ? 139 ARG D CB 1 +ATOM 13833 C CB B ARG D 4 129 ? 10.624 -57.774 -14.791 0.60 57.25 ? 139 ARG D CB 1 +ATOM 13834 C CG A ARG D 4 129 ? 11.228 -58.121 -13.373 0.40 61.94 ? 139 ARG D CG 1 +ATOM 13835 C CG B ARG D 4 129 ? 11.191 -58.034 -13.392 0.60 62.03 ? 139 ARG D CG 1 +ATOM 13836 C CD A ARG D 4 129 ? 12.533 -57.387 -13.167 0.40 64.50 ? 139 ARG D CD 1 +ATOM 13837 C CD B ARG D 4 129 ? 12.516 -57.317 -13.173 0.60 64.60 ? 139 ARG D CD 1 +ATOM 13838 N NE A ARG D 4 129 ? 12.328 -56.068 -12.587 0.40 63.53 ? 139 ARG D NE 1 +ATOM 13839 N NE B ARG D 4 129 ? 12.348 -55.959 -12.675 0.60 63.39 ? 139 ARG D NE 1 +ATOM 13840 C CZ A ARG D 4 129 ? 13.101 -55.019 -12.824 0.40 62.85 ? 139 ARG D CZ 1 +ATOM 13841 C CZ B ARG D 4 129 ? 13.173 -54.957 -12.944 0.60 62.92 ? 139 ARG D CZ 1 +ATOM 13842 N NH1 A ARG D 4 129 ? 14.093 -55.072 -13.701 0.40 61.68 ? 139 ARG D NH1 1 +ATOM 13843 N NH1 B ARG D 4 129 ? 14.192 -55.102 -13.777 0.60 61.58 ? 139 ARG D NH1 1 +ATOM 13844 N NH2 A ARG D 4 129 ? 12.871 -53.887 -12.168 0.40 69.04 ? 139 ARG D NH2 1 +ATOM 13845 N NH2 B ARG D 4 129 ? 12.968 -53.777 -12.368 0.60 70.36 ? 139 ARG D NH2 1 +ATOM 13846 N N A PRO D 4 130 ? 8.262 -57.932 -17.006 0.40 55.49 ? 140 PRO D N 1 +ATOM 13847 N N B PRO D 4 130 ? 8.215 -57.938 -17.013 0.60 55.59 ? 140 PRO D N 1 +ATOM 13848 C CA A PRO D 4 130 ? 7.778 -57.909 -18.399 0.40 57.15 ? 140 PRO D CA 1 +ATOM 13849 C CA B PRO D 4 130 ? 7.694 -57.901 -18.392 0.60 57.25 ? 140 PRO D CA 1 +ATOM 13850 C C A PRO D 4 130 ? 8.411 -56.837 -19.295 0.40 57.27 ? 140 PRO D C 1 +ATOM 13851 C C B PRO D 4 130 ? 8.352 -56.868 -19.310 0.60 57.52 ? 140 PRO D C 1 +ATOM 13852 O O A PRO D 4 130 ? 7.711 -56.226 -20.114 0.40 50.21 ? 140 PRO D O 1 +ATOM 13853 O O B PRO D 4 130 ? 7.667 -56.259 -20.144 0.60 50.10 ? 140 PRO D O 1 +ATOM 13854 C CB A PRO D 4 130 ? 6.273 -57.664 -18.221 0.40 50.74 ? 140 PRO D CB 1 +ATOM 13855 C CB B PRO D 4 130 ? 6.209 -57.579 -18.178 0.60 50.68 ? 140 PRO D CB 1 +ATOM 13856 C CG A PRO D 4 130 ? 6.219 -56.761 -17.002 0.40 52.54 ? 140 PRO D CG 1 +ATOM 13857 C CG B PRO D 4 130 ? 6.205 -56.733 -16.942 0.60 52.54 ? 140 PRO D CG 1 +ATOM 13858 C CD A PRO D 4 130 ? 7.365 -57.198 -16.090 0.40 53.00 ? 140 PRO D CD 1 +ATOM 13859 C CD B PRO D 4 130 ? 7.315 -57.267 -16.055 0.60 52.98 ? 140 PRO D CD 1 +ATOM 13860 N N A TYR D 4 131 ? 9.731 -56.623 -19.187 0.40 51.86 ? 141 TYR D N 1 +ATOM 13861 N N B TYR D 4 131 ? 9.674 -56.682 -19.201 0.60 52.02 ? 141 TYR D N 1 +ATOM 13862 C CA A TYR D 4 131 ? 10.377 -55.582 -19.985 0.40 51.39 ? 141 TYR D CA 1 +ATOM 13863 C CA B TYR D 4 131 ? 10.332 -55.631 -19.972 0.60 51.40 ? 141 TYR D CA 1 +ATOM 13864 C C A TYR D 4 131 ? 10.444 -55.928 -21.468 0.40 50.96 ? 141 TYR D C 1 +ATOM 13865 C C B TYR D 4 131 ? 10.420 -55.961 -21.459 0.60 51.05 ? 141 TYR D C 1 +ATOM 13866 O O A TYR D 4 131 ? 10.528 -55.021 -22.302 0.40 48.53 ? 141 TYR D O 1 +ATOM 13867 O O B TYR D 4 131 ? 10.499 -55.044 -22.283 0.60 48.54 ? 141 TYR D O 1 +ATOM 13868 C CB A TYR D 4 131 ? 11.774 -55.293 -19.455 0.40 45.86 ? 141 TYR D CB 1 +ATOM 13869 C CB B TYR D 4 131 ? 11.719 -55.347 -19.406 0.60 45.71 ? 141 TYR D CB 1 +ATOM 13870 C CG A TYR D 4 131 ? 11.686 -54.471 -18.220 0.40 55.02 ? 141 TYR D CG 1 +ATOM 13871 C CG B TYR D 4 131 ? 11.647 -54.496 -18.174 0.60 55.03 ? 141 TYR D CG 1 +ATOM 13872 C CD1 A TYR D 4 131 ? 11.436 -55.075 -17.004 0.40 56.51 ? 141 TYR D CD1 1 +ATOM 13873 C CD1 B TYR D 4 131 ? 11.408 -55.066 -16.938 0.60 56.58 ? 141 TYR D CD1 1 +ATOM 13874 C CD2 A TYR D 4 131 ? 11.775 -53.082 -18.267 0.40 60.55 ? 141 TYR D CD2 1 +ATOM 13875 C CD2 B TYR D 4 131 ? 11.784 -53.111 -18.246 0.60 60.69 ? 141 TYR D CD2 1 +ATOM 13876 C CE1 A TYR D 4 131 ? 11.304 -54.345 -15.860 0.40 61.63 ? 141 TYR D CE1 1 +ATOM 13877 C CE1 B TYR D 4 131 ? 11.317 -54.298 -15.799 0.60 61.79 ? 141 TYR D CE1 1 +ATOM 13878 C CE2 A TYR D 4 131 ? 11.654 -52.321 -17.096 0.40 59.87 ? 141 TYR D CE2 1 +ATOM 13879 C CE2 B TYR D 4 131 ? 11.700 -52.321 -17.098 0.60 59.92 ? 141 TYR D CE2 1 +ATOM 13880 C CZ A TYR D 4 131 ? 11.421 -52.974 -15.894 0.40 64.75 ? 141 TYR D CZ 1 +ATOM 13881 C CZ B TYR D 4 131 ? 11.467 -52.931 -15.876 0.60 64.94 ? 141 TYR D CZ 1 +ATOM 13882 O OH A TYR D 4 131 ? 11.294 -52.285 -14.709 0.40 62.11 ? 141 TYR D OH 1 +ATOM 13883 O OH B TYR D 4 131 ? 11.381 -52.186 -14.718 0.60 62.12 ? 141 TYR D OH 1 +ATOM 13884 N N A ASN D 4 132 ? 10.427 -57.215 -21.822 0.40 48.23 ? 142 ASN D N 1 +ATOM 13885 N N B ASN D 4 132 ? 10.400 -57.246 -21.826 0.60 48.19 ? 142 ASN D N 1 +ATOM 13886 C CA A ASN D 4 132 ? 10.413 -57.570 -23.238 0.40 50.77 ? 142 ASN D CA 1 +ATOM 13887 C CA B ASN D 4 132 ? 10.387 -57.592 -23.242 0.60 50.88 ? 142 ASN D CA 1 +ATOM 13888 C C A ASN D 4 132 ? 9.113 -57.121 -23.893 0.40 46.36 ? 142 ASN D C 1 +ATOM 13889 C C B ASN D 4 132 ? 9.098 -57.120 -23.901 0.60 46.32 ? 142 ASN D C 1 +ATOM 13890 O O A ASN D 4 132 ? 9.122 -56.609 -25.015 0.40 47.41 ? 142 ASN D O 1 +ATOM 13891 O O B ASN D 4 132 ? 9.117 -56.606 -25.026 0.60 47.41 ? 142 ASN D O 1 +ATOM 13892 C CB A ASN D 4 132 ? 10.636 -59.083 -23.423 0.40 47.39 ? 142 ASN D CB 1 +ATOM 13893 C CB B ASN D 4 132 ? 10.567 -59.102 -23.440 0.60 47.28 ? 142 ASN D CB 1 +ATOM 13894 C CG A ASN D 4 132 ? 10.815 -59.462 -24.883 0.40 55.64 ? 142 ASN D CG 1 +ATOM 13895 C CG B ASN D 4 132 ? 10.725 -59.461 -24.895 0.60 55.75 ? 142 ASN D CG 1 +ATOM 13896 O OD1 A ASN D 4 132 ? 11.614 -58.846 -25.608 0.40 56.37 ? 142 ASN D OD1 1 +ATOM 13897 O OD1 B ASN D 4 132 ? 11.526 -58.849 -25.604 0.60 56.58 ? 142 ASN D OD1 1 +ATOM 13898 N ND2 A ASN D 4 132 ? 10.044 -60.432 -25.339 0.40 51.22 ? 142 ASN D ND2 1 +ATOM 13899 N ND2 B ASN D 4 132 ? 9.931 -60.413 -25.369 0.60 51.16 ? 142 ASN D ND2 1 +ATOM 13900 N N A ALA D 4 133 ? 7.985 -57.283 -23.199 0.40 46.74 ? 143 ALA D N 1 +ATOM 13901 N N B ALA D 4 133 ? 7.963 -57.287 -23.214 0.60 46.71 ? 143 ALA D N 1 +ATOM 13902 C CA A ALA D 4 133 ? 6.721 -56.775 -23.726 0.40 50.65 ? 143 ALA D CA 1 +ATOM 13903 C CA B ALA D 4 133 ? 6.701 -56.778 -23.746 0.60 50.69 ? 143 ALA D CA 1 +ATOM 13904 C C A ALA D 4 133 ? 6.758 -55.257 -23.838 0.40 51.50 ? 143 ALA D C 1 +ATOM 13905 C C B ALA D 4 133 ? 6.723 -55.258 -23.837 0.60 51.63 ? 143 ALA D C 1 +ATOM 13906 O O A ALA D 4 133 ? 6.291 -54.683 -24.827 0.40 51.86 ? 143 ALA D O 1 +ATOM 13907 O O B ALA D 4 133 ? 6.218 -54.680 -24.803 0.60 52.02 ? 143 ALA D O 1 +ATOM 13908 C CB A ALA D 4 133 ? 5.554 -57.208 -22.834 0.40 42.80 ? 143 ALA D CB 1 +ATOM 13909 C CB B ALA D 4 133 ? 5.529 -57.243 -22.878 0.60 42.62 ? 143 ALA D CB 1 +ATOM 13910 N N A ILE D 4 134 ? 7.307 -54.592 -22.824 0.40 50.10 ? 144 ILE D N 1 +ATOM 13911 N N B ILE D 4 134 ? 7.295 -54.595 -22.832 0.60 50.12 ? 144 ILE D N 1 +ATOM 13912 C CA A ILE D 4 134 ? 7.381 -53.138 -22.837 0.40 50.27 ? 144 ILE D CA 1 +ATOM 13913 C CA B ILE D 4 134 ? 7.347 -53.137 -22.835 0.60 50.26 ? 144 ILE D CA 1 +ATOM 13914 C C A ILE D 4 134 ? 8.220 -52.651 -24.017 0.40 49.31 ? 144 ILE D C 1 +ATOM 13915 C C B ILE D 4 134 ? 8.156 -52.634 -24.026 0.60 49.41 ? 144 ILE D C 1 +ATOM 13916 O O A ILE D 4 134 ? 7.836 -51.711 -24.716 0.40 48.05 ? 144 ILE D O 1 +ATOM 13917 O O B ILE D 4 134 ? 7.762 -51.678 -24.704 0.60 48.02 ? 144 ILE D O 1 +ATOM 13918 C CB A ILE D 4 134 ? 7.917 -52.647 -21.481 0.40 52.92 ? 144 ILE D CB 1 +ATOM 13919 C CB B ILE D 4 134 ? 7.919 -52.630 -21.499 0.60 52.98 ? 144 ILE D CB 1 +ATOM 13920 C CG1 A ILE D 4 134 ? 6.859 -52.903 -20.395 0.40 56.36 ? 144 ILE D CG1 1 +ATOM 13921 C CG1 B ILE D 4 134 ? 6.894 -52.813 -20.375 0.60 56.52 ? 144 ILE D CG1 1 +ATOM 13922 C CG2 A ILE D 4 134 ? 8.340 -51.186 -21.541 0.40 49.17 ? 144 ILE D CG2 1 +ATOM 13923 C CG2 B ILE D 4 134 ? 8.370 -51.179 -21.611 0.60 49.18 ? 144 ILE D CG2 1 +ATOM 13924 C CD1 A ILE D 4 134 ? 7.373 -52.709 -18.985 0.40 55.62 ? 144 ILE D CD1 1 +ATOM 13925 C CD1 B ILE D 4 134 ? 7.457 -52.487 -19.000 0.60 55.26 ? 144 ILE D CD1 1 +ATOM 13926 N N A ALA D 4 135 ? 9.356 -53.304 -24.283 0.40 45.61 ? 145 ALA D N 1 +ATOM 13927 N N B ALA D 4 135 ? 9.297 -53.274 -24.295 0.60 45.50 ? 145 ALA D N 1 +ATOM 13928 C CA A ALA D 4 135 ? 10.181 -52.906 -25.421 0.40 47.75 ? 145 ALA D CA 1 +ATOM 13929 C CA B ALA D 4 135 ? 10.129 -52.905 -25.432 0.60 47.75 ? 145 ALA D CA 1 +ATOM 13930 C C A ALA D 4 135 ? 9.443 -53.097 -26.740 0.40 52.35 ? 145 ALA D C 1 +ATOM 13931 C C B ALA D 4 135 ? 9.405 -53.130 -26.752 0.60 52.61 ? 145 ALA D C 1 +ATOM 13932 O O A ALA D 4 135 ? 9.685 -52.355 -27.711 0.40 48.01 ? 145 ALA D O 1 +ATOM 13933 O O B ALA D 4 135 ? 9.643 -52.401 -27.725 0.60 48.08 ? 145 ALA D O 1 +ATOM 13934 C CB A ALA D 4 135 ? 11.489 -53.703 -25.441 0.40 44.73 ? 145 ALA D CB 1 +ATOM 13935 C CB B ALA D 4 135 ? 11.432 -53.707 -25.405 0.60 44.68 ? 145 ALA D CB 1 +ATOM 13936 N N A PHE D 4 136 ? 8.540 -54.080 -26.793 0.40 48.34 ? 146 PHE D N 1 +ATOM 13937 N N B PHE D 4 136 ? 8.522 -54.133 -26.807 0.60 48.32 ? 146 PHE D N 1 +ATOM 13938 C CA A PHE D 4 136 ? 7.828 -54.389 -28.021 0.40 49.06 ? 146 PHE D CA 1 +ATOM 13939 C CA B PHE D 4 136 ? 7.782 -54.422 -28.025 0.60 49.13 ? 146 PHE D CA 1 +ATOM 13940 C C A PHE D 4 136 ? 6.761 -53.347 -28.333 0.40 49.43 ? 146 PHE D C 1 +ATOM 13941 C C B PHE D 4 136 ? 6.737 -53.359 -28.332 0.60 49.50 ? 146 PHE D C 1 +ATOM 13942 O O A PHE D 4 136 ? 6.223 -53.351 -29.443 0.40 48.30 ? 146 PHE D O 1 +ATOM 13943 O O B PHE D 4 136 ? 6.175 -53.377 -29.433 0.60 48.30 ? 146 PHE D O 1 +ATOM 13944 C CB A PHE D 4 136 ? 7.227 -55.813 -27.925 0.40 51.48 ? 146 PHE D CB 1 +ATOM 13945 C CB B PHE D 4 136 ? 7.129 -55.814 -27.927 0.60 51.52 ? 146 PHE D CB 1 +ATOM 13946 C CG A PHE D 4 136 ? 6.740 -56.364 -29.240 0.40 47.79 ? 146 PHE D CG 1 +ATOM 13947 C CG B PHE D 4 136 ? 6.682 -56.373 -29.252 0.60 47.74 ? 146 PHE D CG 1 +ATOM 13948 C CD1 A PHE D 4 136 ? 7.644 -56.755 -30.226 0.40 47.17 ? 146 PHE D CD1 1 +ATOM 13949 C CD1 B PHE D 4 136 ? 7.614 -56.760 -30.205 0.60 47.15 ? 146 PHE D CD1 1 +ATOM 13950 C CD2 A PHE D 4 136 ? 5.380 -56.469 -29.502 0.40 46.90 ? 146 PHE D CD2 1 +ATOM 13951 C CD2 B PHE D 4 136 ? 5.333 -56.498 -29.549 0.60 46.89 ? 146 PHE D CD2 1 +ATOM 13952 C CE1 A PHE D 4 136 ? 7.204 -57.257 -31.437 0.40 50.58 ? 146 PHE D CE1 1 +ATOM 13953 C CE1 B PHE D 4 136 ? 7.214 -57.268 -31.433 0.60 50.63 ? 146 PHE D CE1 1 +ATOM 13954 C CE2 A PHE D 4 136 ? 4.923 -56.963 -30.724 0.40 47.71 ? 146 PHE D CE2 1 +ATOM 13955 C CE2 B PHE D 4 136 ? 4.921 -56.997 -30.776 0.60 47.75 ? 146 PHE D CE2 1 +ATOM 13956 C CZ A PHE D 4 136 ? 5.840 -57.371 -31.689 0.40 48.36 ? 146 PHE D CZ 1 +ATOM 13957 C CZ B PHE D 4 136 ? 5.865 -57.389 -31.722 0.60 48.35 ? 146 PHE D CZ 1 +ATOM 13958 N N . SER D 4 137 ? 6.470 -52.428 -27.408 1.00 45.88 ? 147 SER D N 1 +ATOM 13959 C CA . SER D 4 137 ? 5.572 -51.321 -27.730 1.00 45.92 ? 147 SER D CA 1 +ATOM 13960 C C . SER D 4 137 ? 6.137 -50.459 -28.846 1.00 53.76 ? 147 SER D C 1 +ATOM 13961 O O . SER D 4 137 ? 5.367 -49.785 -29.553 1.00 46.75 ? 147 SER D O 1 +ATOM 13962 C CB . SER D 4 137 ? 5.302 -50.437 -26.508 1.00 46.98 ? 147 SER D CB 1 +ATOM 13963 O OG . SER D 4 137 ? 6.477 -49.762 -26.082 1.00 46.02 ? 147 SER D OG 1 +ATOM 13964 N N A ALA D 4 138 ? 7.464 -50.473 -29.029 0.40 43.22 ? 148 ALA D N 1 +ATOM 13965 N N B ALA D 4 138 ? 7.459 -50.460 -29.047 0.60 43.16 ? 148 ALA D N 1 +ATOM 13966 C CA A ALA D 4 138 ? 8.031 -49.628 -30.077 0.40 44.52 ? 148 ALA D CA 1 +ATOM 13967 C CA B ALA D 4 138 ? 8.016 -49.617 -30.103 0.60 44.56 ? 148 ALA D CA 1 +ATOM 13968 C C A ALA D 4 138 ? 7.680 -50.155 -31.466 0.40 46.67 ? 148 ALA D C 1 +ATOM 13969 C C B ALA D 4 138 ? 7.711 -50.165 -31.498 0.60 46.75 ? 148 ALA D C 1 +ATOM 13970 O O A ALA D 4 138 ? 7.109 -49.391 -32.260 0.40 44.45 ? 148 ALA D O 1 +ATOM 13971 O O B ALA D 4 138 ? 7.247 -49.389 -32.353 0.60 44.56 ? 148 ALA D O 1 +ATOM 13972 C CB A ALA D 4 138 ? 9.539 -49.453 -29.853 0.40 38.23 ? 148 ALA D CB 1 +ATOM 13973 C CB B ALA D 4 138 ? 9.513 -49.396 -29.859 0.60 38.09 ? 148 ALA D CB 1 +ATOM 13974 N N A PRO D 4 139 ? 7.953 -51.422 -31.827 0.40 49.06 ? 149 PRO D N 1 +ATOM 13975 N N B PRO D 4 139 ? 7.935 -51.450 -31.807 0.60 49.19 ? 149 PRO D N 1 +ATOM 13976 C CA A PRO D 4 139 ? 7.440 -51.921 -33.114 0.40 49.86 ? 149 PRO D CA 1 +ATOM 13977 C CA B PRO D 4 139 ? 7.437 -51.961 -33.095 0.60 50.00 ? 149 PRO D CA 1 +ATOM 13978 C C A PRO D 4 139 ? 5.943 -51.708 -33.287 0.40 41.52 ? 149 PRO D C 1 +ATOM 13979 C C B PRO D 4 139 ? 5.946 -51.740 -33.286 0.60 41.42 ? 149 PRO D C 1 +ATOM 13980 O O A PRO D 4 139 ? 5.486 -51.466 -34.398 0.40 45.42 ? 149 PRO D O 1 +ATOM 13981 O O B PRO D 4 139 ? 5.505 -51.471 -34.403 0.60 45.45 ? 149 PRO D O 1 +ATOM 13982 C CB A PRO D 4 139 ? 7.790 -53.419 -33.080 0.40 48.67 ? 149 PRO D CB 1 +ATOM 13983 C CB B PRO D 4 139 ? 7.782 -53.457 -33.041 0.60 48.70 ? 149 PRO D CB 1 +ATOM 13984 C CG A PRO D 4 139 ? 8.920 -53.533 -32.147 0.40 46.84 ? 149 PRO D CG 1 +ATOM 13985 C CG B PRO D 4 139 ? 8.946 -53.541 -32.116 0.60 46.86 ? 149 PRO D CG 1 +ATOM 13986 C CD A PRO D 4 139 ? 8.752 -52.449 -31.129 0.40 46.42 ? 149 PRO D CD 1 +ATOM 13987 C CD B PRO D 4 139 ? 8.720 -52.471 -31.086 0.60 46.45 ? 149 PRO D CD 1 +ATOM 13988 N N . ILE D 4 140 ? 5.148 -51.831 -32.230 1.00 49.08 ? 150 ILE D N 1 +ATOM 13989 C CA . ILE D 4 140 ? 3.717 -51.648 -32.407 1.00 51.30 ? 150 ILE D CA 1 +ATOM 13990 C C . ILE D 4 140 ? 3.406 -50.195 -32.751 1.00 50.78 ? 150 ILE D C 1 +ATOM 13991 O O . ILE D 4 140 ? 2.597 -49.922 -33.648 1.00 47.24 ? 150 ILE D O 1 +ATOM 13992 C CB . ILE D 4 140 ? 2.946 -52.143 -31.168 1.00 63.49 ? 150 ILE D CB 1 +ATOM 13993 C CG1 . ILE D 4 140 ? 2.866 -53.692 -31.206 1.00 59.55 ? 150 ILE D CG1 1 +ATOM 13994 C CG2 . ILE D 4 140 ? 1.555 -51.529 -31.131 1.00 50.61 ? 150 ILE D CG2 1 +ATOM 13995 C CD1 . ILE D 4 140 ? 2.023 -54.287 -30.093 1.00 56.00 ? 150 ILE D CD1 1 +ATOM 13996 N N . ALA D 4 141 ? 4.063 -49.248 -32.068 1.00 45.67 ? 151 ALA D N 1 +ATOM 13997 C CA . ALA D 4 141 ? 3.850 -47.830 -32.353 1.00 49.13 ? 151 ALA D CA 1 +ATOM 13998 C C . ALA D 4 141 ? 4.244 -47.490 -33.778 1.00 40.09 ? 151 ALA D C 1 +ATOM 13999 O O . ALA D 4 141 ? 3.540 -46.735 -34.447 1.00 49.43 ? 151 ALA D O 1 +ATOM 14000 C CB . ALA D 4 141 ? 4.626 -46.952 -31.358 1.00 45.60 ? 151 ALA D CB 1 +ATOM 14001 N N . VAL D 4 142 ? 5.339 -48.079 -34.282 1.00 44.67 ? 152 VAL D N 1 +ATOM 14002 C CA . VAL D 4 142 ? 5.702 -47.896 -35.690 1.00 40.34 ? 152 VAL D CA 1 +ATOM 14003 C C . VAL D 4 142 ? 4.632 -48.469 -36.611 1.00 46.55 ? 152 VAL D C 1 +ATOM 14004 O O . VAL D 4 142 ? 4.206 -47.817 -37.575 1.00 49.33 ? 152 VAL D O 1 +ATOM 14005 C CB . VAL D 4 142 ? 7.080 -48.512 -35.988 1.00 44.30 ? 152 VAL D CB 1 +ATOM 14006 C CG1 . VAL D 4 142 ? 7.347 -48.527 -37.517 1.00 41.86 ? 152 VAL D CG1 1 +ATOM 14007 C CG2 . VAL D 4 142 ? 8.157 -47.723 -35.260 1.00 45.98 ? 152 VAL D CG2 1 +ATOM 14008 N N . PHE D 4 143 ? 4.195 -49.700 -36.351 1.00 45.91 ? 153 PHE D N 1 +ATOM 14009 C CA . PHE D 4 143 ? 3.260 -50.326 -37.283 1.00 51.38 ? 153 PHE D CA 1 +ATOM 14010 C C . PHE D 4 143 ? 1.948 -49.551 -37.348 1.00 44.28 ? 153 PHE D C 1 +ATOM 14011 O O . PHE D 4 143 ? 1.402 -49.315 -38.433 1.00 48.33 ? 153 PHE D O 1 +ATOM 14012 C CB . PHE D 4 143 ? 2.967 -51.780 -36.905 1.00 45.51 ? 153 PHE D CB 1 +ATOM 14013 C CG . PHE D 4 143 ? 1.943 -52.407 -37.822 1.00 51.13 ? 153 PHE D CG 1 +ATOM 14014 C CD1 . PHE D 4 143 ? 2.328 -52.903 -39.053 1.00 40.23 ? 153 PHE D CD1 1 +ATOM 14015 C CD2 . PHE D 4 143 ? 0.595 -52.410 -37.491 1.00 48.72 ? 153 PHE D CD2 1 +ATOM 14016 C CE1 . PHE D 4 143 ? 1.394 -53.431 -39.936 1.00 52.24 ? 153 PHE D CE1 1 +ATOM 14017 C CE2 . PHE D 4 143 ? -0.342 -52.948 -38.362 1.00 55.32 ? 153 PHE D CE2 1 +ATOM 14018 C CZ . PHE D 4 143 ? 0.056 -53.450 -39.585 1.00 51.12 ? 153 PHE D CZ 1 +ATOM 14019 N N . VAL D 4 144 ? 1.448 -49.131 -36.194 1.00 47.24 ? 154 VAL D N 1 +ATOM 14020 C CA . VAL D 4 144 ? 0.164 -48.453 -36.115 1.00 49.48 ? 154 VAL D CA 1 +ATOM 14021 C C . VAL D 4 144 ? 0.246 -47.055 -36.733 1.00 54.02 ? 154 VAL D C 1 +ATOM 14022 O O . VAL D 4 144 ? -0.679 -46.615 -37.431 1.00 50.54 ? 154 VAL D O 1 +ATOM 14023 C CB . VAL D 4 144 ? -0.288 -48.434 -34.637 1.00 48.10 ? 154 VAL D CB 1 +ATOM 14024 C CG1 . VAL D 4 144 ? -1.310 -47.341 -34.367 1.00 57.66 ? 154 VAL D CG1 1 +ATOM 14025 C CG2 . VAL D 4 144 ? -0.847 -49.802 -34.248 1.00 43.24 ? 154 VAL D CG2 1 +ATOM 14026 N N . SER D 4 145 ? 1.353 -46.341 -36.509 1.00 44.29 ? 155 SER D N 1 +ATOM 14027 C CA . SER D 4 145 ? 1.443 -44.975 -37.024 1.00 49.59 ? 155 SER D CA 1 +ATOM 14028 C C . SER D 4 145 ? 1.668 -44.960 -38.537 1.00 44.07 ? 155 SER D C 1 +ATOM 14029 O O . SER D 4 145 ? 1.064 -44.145 -39.245 1.00 46.59 ? 155 SER D O 1 +ATOM 14030 C CB . SER D 4 145 ? 2.536 -44.195 -36.281 1.00 40.65 ? 155 SER D CB 1 +ATOM 14031 O OG . SER D 4 145 ? 3.836 -44.611 -36.659 1.00 50.99 ? 155 SER D OG 1 +ATOM 14032 N N . VAL D 4 146 ? 2.489 -45.881 -39.061 1.00 45.04 ? 156 VAL D N 1 +ATOM 14033 C CA . VAL D 4 146 ? 2.806 -45.887 -40.493 1.00 42.92 ? 156 VAL D CA 1 +ATOM 14034 C C . VAL D 4 146 ? 1.688 -46.525 -41.318 1.00 50.67 ? 156 VAL D C 1 +ATOM 14035 O O . VAL D 4 146 ? 1.374 -46.057 -42.426 1.00 45.47 ? 156 VAL D O 1 +ATOM 14036 C CB . VAL D 4 146 ? 4.149 -46.603 -40.751 1.00 46.60 ? 156 VAL D CB 1 +ATOM 14037 C CG1 . VAL D 4 146 ? 4.403 -46.725 -42.237 1.00 44.36 ? 156 VAL D CG1 1 +ATOM 14038 C CG2 . VAL D 4 146 ? 5.300 -45.854 -40.090 1.00 46.38 ? 156 VAL D CG2 1 +ATOM 14039 N N . PHE D 4 147 ? 1.118 -47.642 -40.845 1.00 48.84 ? 157 PHE D N 1 +ATOM 14040 C CA . PHE D 4 147 ? 0.194 -48.421 -41.674 1.00 49.91 ? 157 PHE D CA 1 +ATOM 14041 C C . PHE D 4 147 ? -1.276 -48.095 -41.431 1.00 50.50 ? 157 PHE D C 1 +ATOM 14042 O O . PHE D 4 147 ? -2.108 -48.438 -42.272 1.00 48.37 ? 157 PHE D O 1 +ATOM 14043 C CB . PHE D 4 147 ? 0.404 -49.928 -41.452 1.00 48.06 ? 157 PHE D CB 1 +ATOM 14044 C CG . PHE D 4 147 ? 1.618 -50.482 -42.135 1.00 46.70 ? 157 PHE D CG 1 +ATOM 14045 C CD1 . PHE D 4 147 ? 2.855 -50.449 -41.519 1.00 43.13 ? 157 PHE D CD1 1 +ATOM 14046 C CD2 . PHE D 4 147 ? 1.520 -51.047 -43.394 1.00 48.40 ? 157 PHE D CD2 1 +ATOM 14047 C CE1 . PHE D 4 147 ? 3.973 -50.971 -42.149 1.00 48.43 ? 157 PHE D CE1 1 +ATOM 14048 C CE2 . PHE D 4 147 ? 2.647 -51.575 -44.036 1.00 51.65 ? 157 PHE D CE2 1 +ATOM 14049 C CZ . PHE D 4 147 ? 3.872 -51.533 -43.412 1.00 46.75 ? 157 PHE D CZ 1 +ATOM 14050 N N . LEU D 4 148 ? -1.610 -47.450 -40.308 1.00 43.35 ? 158 LEU D N 1 +ATOM 14051 C CA . LEU D 4 148 ? -2.988 -47.095 -39.988 1.00 50.05 ? 158 LEU D CA 1 +ATOM 14052 C C . LEU D 4 148 ? -3.184 -45.589 -39.839 1.00 43.32 ? 158 LEU D C 1 +ATOM 14053 O O . LEU D 4 148 ? -3.980 -45.006 -40.580 1.00 52.62 ? 158 LEU D O 1 +ATOM 14054 C CB . LEU D 4 148 ? -3.442 -47.841 -38.714 1.00 47.69 ? 158 LEU D CB 1 +ATOM 14055 C CG . LEU D 4 148 ? -3.338 -49.372 -38.815 1.00 55.17 ? 158 LEU D CG 1 +ATOM 14056 C CD1 . LEU D 4 148 ? -3.615 -50.108 -37.482 1.00 49.38 ? 158 LEU D CD1 1 +ATOM 14057 C CD2 . LEU D 4 148 ? -4.258 -49.863 -39.920 1.00 52.80 ? 158 LEU D CD2 1 +ATOM 14058 N N . ILE D 4 149 ? -2.504 -44.931 -38.897 1.00 49.59 ? 159 ILE D N 1 +ATOM 14059 C CA . ILE D 4 149 ? -2.765 -43.510 -38.669 1.00 43.67 ? 159 ILE D CA 1 +ATOM 14060 C C . ILE D 4 149 ? -2.414 -42.700 -39.905 1.00 51.62 ? 159 ILE D C 1 +ATOM 14061 O O . ILE D 4 149 ? -3.169 -41.801 -40.308 1.00 44.18 ? 159 ILE D O 1 +ATOM 14062 C CB . ILE D 4 149 ? -2.002 -42.987 -37.440 1.00 45.22 ? 159 ILE D CB 1 +ATOM 14063 C CG1 . ILE D 4 149 ? -2.520 -43.655 -36.171 1.00 50.04 ? 159 ILE D CG1 1 +ATOM 14064 C CG2 . ILE D 4 149 ? -2.121 -41.428 -37.354 1.00 40.80 ? 159 ILE D CG2 1 +ATOM 14065 C CD1 . ILE D 4 149 ? -1.581 -43.493 -34.970 1.00 49.02 ? 159 ILE D CD1 1 +ATOM 14066 N N . TYR D 4 150 ? -1.259 -42.994 -40.525 1.00 44.27 ? 160 TYR D N 1 +ATOM 14067 C CA . TYR D 4 150 ? -0.825 -42.172 -41.654 1.00 42.38 ? 160 TYR D CA 1 +ATOM 14068 C C . TYR D 4 150 ? -1.861 -42.168 -42.778 1.00 45.70 ? 160 TYR D C 1 +ATOM 14069 O O . TYR D 4 150 ? -2.343 -41.082 -43.140 1.00 46.66 ? 160 TYR D O 1 +ATOM 14070 C CB . TYR D 4 150 ? 0.566 -42.607 -42.143 1.00 39.11 ? 160 TYR D CB 1 +ATOM 14071 C CG . TYR D 4 150 ? 0.923 -41.852 -43.391 1.00 41.15 ? 160 TYR D CG 1 +ATOM 14072 C CD1 . TYR D 4 150 ? 1.328 -40.515 -43.319 1.00 40.91 ? 160 TYR D CD1 1 +ATOM 14073 C CD2 . TYR D 4 150 ? 0.792 -42.433 -44.649 1.00 44.36 ? 160 TYR D CD2 1 +ATOM 14074 C CE1 . TYR D 4 150 ? 1.626 -39.796 -44.448 1.00 42.17 ? 160 TYR D CE1 1 +ATOM 14075 C CE2 . TYR D 4 150 ? 1.089 -41.709 -45.806 1.00 46.54 ? 160 TYR D CE2 1 +ATOM 14076 C CZ . TYR D 4 150 ? 1.500 -40.386 -45.691 1.00 44.69 ? 160 TYR D CZ 1 +ATOM 14077 O OH . TYR D 4 150 ? 1.795 -39.664 -46.809 1.00 46.92 ? 160 TYR D OH 1 +ATOM 14078 N N . PRO D 4 151 ? -2.276 -43.313 -43.340 1.00 45.66 ? 161 PRO D N 1 +ATOM 14079 C CA . PRO D 4 151 ? -3.337 -43.267 -44.363 1.00 43.69 ? 161 PRO D CA 1 +ATOM 14080 C C . PRO D 4 151 ? -4.662 -42.726 -43.850 1.00 45.95 ? 161 PRO D C 1 +ATOM 14081 O O . PRO D 4 151 ? -5.389 -42.079 -44.622 1.00 46.05 ? 161 PRO D O 1 +ATOM 14082 C CB . PRO D 4 151 ? -3.472 -44.732 -44.804 1.00 48.42 ? 161 PRO D CB 1 +ATOM 14083 C CG . PRO D 4 151 ? -3.014 -45.529 -43.575 1.00 46.93 ? 161 PRO D CG 1 +ATOM 14084 C CD . PRO D 4 151 ? -1.857 -44.702 -43.042 1.00 43.62 ? 161 PRO D CD 1 +ATOM 14085 N N . LEU D 4 152 ? -5.000 -42.953 -42.571 1.00 41.92 ? 162 LEU D N 1 +ATOM 14086 C CA . LEU D 4 152 ? -6.264 -42.429 -42.054 1.00 42.52 ? 162 LEU D CA 1 +ATOM 14087 C C . LEU D 4 152 ? -6.275 -40.905 -42.035 1.00 47.13 ? 162 LEU D C 1 +ATOM 14088 O O . LEU D 4 152 ? -7.349 -40.289 -42.097 1.00 50.31 ? 162 LEU D O 1 +ATOM 14089 C CB . LEU D 4 152 ? -6.548 -42.987 -40.655 1.00 43.23 ? 162 LEU D CB 1 +ATOM 14090 C CG . LEU D 4 152 ? -7.039 -44.445 -40.615 1.00 54.36 ? 162 LEU D CG 1 +ATOM 14091 C CD1 . LEU D 4 152 ? -7.102 -44.977 -39.189 1.00 51.05 ? 162 LEU D CD1 1 +ATOM 14092 C CD2 . LEU D 4 152 ? -8.387 -44.621 -41.338 1.00 44.79 ? 162 LEU D CD2 1 +ATOM 14093 N N . GLY D 4 153 ? -5.099 -40.277 -41.952 1.00 50.48 ? 163 GLY D N 1 +ATOM 14094 C CA . GLY D 4 153 ? -5.039 -38.826 -42.062 1.00 44.99 ? 163 GLY D CA 1 +ATOM 14095 C C . GLY D 4 153 ? -5.106 -38.358 -43.496 1.00 48.57 ? 163 GLY D C 1 +ATOM 14096 O O . GLY D 4 153 ? -5.579 -37.250 -43.773 1.00 44.22 ? 163 GLY D O 1 +ATOM 14097 N N . GLN D 4 154 ? -4.658 -39.196 -44.424 1.00 44.85 ? 164 GLN D N 1 +ATOM 14098 C CA . GLN D 4 154 ? -4.614 -38.841 -45.835 1.00 46.60 ? 164 GLN D CA 1 +ATOM 14099 C C . GLN D 4 154 ? -5.968 -39.104 -46.498 1.00 46.54 ? 164 GLN D C 1 +ATOM 14100 O O . GLN D 4 154 ? -6.986 -39.208 -45.807 1.00 44.81 ? 164 GLN D O 1 +ATOM 14101 C CB . GLN D 4 154 ? -3.462 -39.601 -46.494 1.00 42.86 ? 164 GLN D CB 1 +ATOM 14102 C CG . GLN D 4 154 ? -2.094 -39.160 -45.960 1.00 42.59 ? 164 GLN D CG 1 +ATOM 14103 C CD . GLN D 4 154 ? -1.755 -37.721 -46.347 1.00 49.63 ? 164 GLN D CD 1 +ATOM 14104 O OE1 . GLN D 4 154 ? -2.360 -37.153 -47.269 1.00 45.99 ? 164 GLN D OE1 1 +ATOM 14105 N NE2 . GLN D 4 154 ? -0.795 -37.125 -45.649 1.00 44.06 ? 164 GLN D NE2 1 +ATOM 14106 N N . SER D 4 155 ? -6.016 -39.184 -47.830 1.00 42.25 ? 165 SER D N 1 +ATOM 14107 C CA . SER D 4 155 ? -7.313 -39.296 -48.496 1.00 51.32 ? 165 SER D CA 1 +ATOM 14108 C C . SER D 4 155 ? -7.876 -40.721 -48.470 1.00 53.24 ? 165 SER D C 1 +ATOM 14109 O O . SER D 4 155 ? -9.097 -40.892 -48.511 1.00 52.24 ? 165 SER D O 1 +ATOM 14110 C CB . SER D 4 155 ? -7.210 -38.795 -49.939 1.00 43.67 ? 165 SER D CB 1 +ATOM 14111 O OG . SER D 4 155 ? -6.350 -39.605 -50.712 1.00 52.75 ? 165 SER D OG 1 +ATOM 14112 N N . SER D 4 156 ? -7.027 -41.743 -48.389 1.00 46.30 ? 166 SER D N 1 +ATOM 14113 C CA . SER D 4 156 ? -7.477 -43.127 -48.507 1.00 48.65 ? 166 SER D CA 1 +ATOM 14114 C C . SER D 4 156 ? -6.327 -44.047 -48.124 1.00 57.97 ? 166 SER D C 1 +ATOM 14115 O O . SER D 4 156 ? -5.191 -43.598 -47.942 1.00 46.96 ? 166 SER D O 1 +ATOM 14116 C CB . SER D 4 156 ? -7.927 -43.455 -49.927 1.00 45.60 ? 166 SER D CB 1 +ATOM 14117 O OG . SER D 4 156 ? -6.813 -43.448 -50.803 1.00 47.76 ? 166 SER D OG 1 +ATOM 14118 N N . TRP D 4 157 ? -6.636 -45.358 -48.041 1.00 42.43 ? 167 TRP D N 1 +ATOM 14119 C CA . TRP D 4 157 ? -5.618 -46.387 -47.836 1.00 46.98 ? 167 TRP D CA 1 +ATOM 14120 C C . TRP D 4 157 ? -4.574 -46.419 -48.945 1.00 45.80 ? 167 TRP D C 1 +ATOM 14121 O O . TRP D 4 157 ? -3.465 -46.913 -48.719 1.00 50.99 ? 167 TRP D O 1 +ATOM 14122 C CB . TRP D 4 157 ? -6.236 -47.785 -47.758 1.00 43.13 ? 167 TRP D CB 1 +ATOM 14123 C CG . TRP D 4 157 ? -7.229 -48.057 -46.633 1.00 50.23 ? 167 TRP D CG 1 +ATOM 14124 C CD1 . TRP D 4 157 ? -8.516 -48.485 -46.776 1.00 43.87 ? 167 TRP D CD1 1 +ATOM 14125 C CD2 . TRP D 4 157 ? -6.999 -47.957 -45.220 1.00 47.99 ? 167 TRP D CD2 1 +ATOM 14126 N NE1 . TRP D 4 157 ? -9.099 -48.651 -45.550 1.00 47.64 ? 167 TRP D NE1 1 +ATOM 14127 C CE2 . TRP D 4 157 ? -8.192 -48.344 -44.576 1.00 44.89 ? 167 TRP D CE2 1 +ATOM 14128 C CE3 . TRP D 4 157 ? -5.899 -47.590 -44.436 1.00 47.60 ? 167 TRP D CE3 1 +ATOM 14129 C CZ2 . TRP D 4 157 ? -8.328 -48.359 -43.181 1.00 47.41 ? 167 TRP D CZ2 1 +ATOM 14130 C CZ3 . TRP D 4 157 ? -6.031 -47.608 -43.045 1.00 48.12 ? 167 TRP D CZ3 1 +ATOM 14131 C CH2 . TRP D 4 157 ? -7.240 -47.994 -42.434 1.00 51.57 ? 167 TRP D CH2 1 +ATOM 14132 N N . PHE D 4 158 ? -4.917 -45.946 -50.145 1.00 52.47 ? 168 PHE D N 1 +ATOM 14133 C CA . PHE D 4 158 ? -3.996 -45.977 -51.286 1.00 51.48 ? 168 PHE D CA 1 +ATOM 14134 C C . PHE D 4 158 ? -2.607 -45.453 -50.930 1.00 53.51 ? 168 PHE D C 1 +ATOM 14135 O O . PHE D 4 158 ? -1.597 -45.952 -51.438 1.00 47.96 ? 168 PHE D O 1 +ATOM 14136 C CB . PHE D 4 158 ? -4.586 -45.140 -52.417 1.00 47.39 ? 168 PHE D CB 1 +ATOM 14137 C CG . PHE D 4 158 ? -3.728 -45.073 -53.657 1.00 53.09 ? 168 PHE D CG 1 +ATOM 14138 C CD1 . PHE D 4 158 ? -2.783 -44.059 -53.819 1.00 49.28 ? 168 PHE D CD1 1 +ATOM 14139 C CD2 . PHE D 4 158 ? -3.899 -46.002 -54.672 1.00 44.46 ? 168 PHE D CD2 1 +ATOM 14140 C CE1 . PHE D 4 158 ? -2.013 -43.982 -54.983 1.00 47.83 ? 168 PHE D CE1 1 +ATOM 14141 C CE2 . PHE D 4 158 ? -3.125 -45.946 -55.824 1.00 49.35 ? 168 PHE D CE2 1 +ATOM 14142 C CZ . PHE D 4 158 ? -2.190 -44.936 -55.993 1.00 48.38 ? 168 PHE D CZ 1 +ATOM 14143 N N . PHE D 4 159 ? -2.537 -44.435 -50.073 1.00 48.54 ? 169 PHE D N 1 +ATOM 14144 C CA . PHE D 4 159 ? -1.271 -43.792 -49.756 1.00 54.32 ? 169 PHE D CA 1 +ATOM 14145 C C . PHE D 4 159 ? -0.567 -44.416 -48.560 1.00 49.52 ? 169 PHE D C 1 +ATOM 14146 O O . PHE D 4 159 ? 0.495 -43.939 -48.168 1.00 56.01 ? 169 PHE D O 1 +ATOM 14147 C CB . PHE D 4 159 ? -1.501 -42.284 -49.571 1.00 46.95 ? 169 PHE D CB 1 +ATOM 14148 C CG . PHE D 4 159 ? -1.846 -41.607 -50.861 1.00 47.62 ? 169 PHE D CG 1 +ATOM 14149 C CD1 . PHE D 4 159 ? -0.850 -41.362 -51.816 1.00 38.87 ? 169 PHE D CD1 1 +ATOM 14150 C CD2 . PHE D 4 159 ? -3.164 -41.295 -51.170 1.00 44.31 ? 169 PHE D CD2 1 +ATOM 14151 C CE1 . PHE D 4 159 ? -1.159 -40.783 -53.043 1.00 44.65 ? 169 PHE D CE1 1 +ATOM 14152 C CE2 . PHE D 4 159 ? -3.473 -40.695 -52.398 1.00 47.18 ? 169 PHE D CE2 1 +ATOM 14153 C CZ . PHE D 4 159 ? -2.468 -40.451 -53.330 1.00 46.54 ? 169 PHE D CZ 1 +ATOM 14154 N N . ALA D 4 160 ? -1.109 -45.494 -48.004 1.00 48.44 ? 170 ALA D N 1 +ATOM 14155 C CA . ALA D 4 160 ? -0.384 -46.284 -47.040 1.00 43.43 ? 170 ALA D CA 1 +ATOM 14156 C C . ALA D 4 160 ? 0.751 -47.018 -47.751 1.00 47.21 ? 170 ALA D C 1 +ATOM 14157 O O . ALA D 4 160 ? 0.745 -47.151 -48.980 1.00 52.29 ? 170 ALA D O 1 +ATOM 14158 C CB . ALA D 4 160 ? -1.339 -47.265 -46.362 1.00 47.19 ? 170 ALA D CB 1 +ATOM 14159 N N . PRO D 4 161 ? 1.738 -47.524 -47.015 1.00 48.94 ? 171 PRO D N 1 +ATOM 14160 C CA . PRO D 4 161 ? 2.739 -48.377 -47.664 1.00 43.79 ? 171 PRO D CA 1 +ATOM 14161 C C . PRO D 4 161 ? 2.099 -49.666 -48.151 1.00 52.77 ? 171 PRO D C 1 +ATOM 14162 O O . PRO D 4 161 ? 1.245 -50.252 -47.478 1.00 45.59 ? 171 PRO D O 1 +ATOM 14163 C CB . PRO D 4 161 ? 3.771 -48.652 -46.560 1.00 45.49 ? 171 PRO D CB 1 +ATOM 14164 C CG . PRO D 4 161 ? 3.278 -47.966 -45.339 1.00 45.93 ? 171 PRO D CG 1 +ATOM 14165 C CD . PRO D 4 161 ? 1.868 -47.550 -45.550 1.00 47.50 ? 171 PRO D CD 1 +ATOM 14166 N N . SER D 4 162 ? 2.488 -50.074 -49.361 1.00 47.23 ? 172 SER D N 1 +ATOM 14167 C CA . SER D 4 162 ? 2.167 -51.398 -49.855 1.00 44.38 ? 172 SER D CA 1 +ATOM 14168 C C . SER D 4 162 ? 3.166 -52.404 -49.300 1.00 53.12 ? 172 SER D C 1 +ATOM 14169 O O . SER D 4 162 ? 4.310 -52.055 -48.986 1.00 48.93 ? 172 SER D O 1 +ATOM 14170 C CB . SER D 4 162 ? 2.175 -51.428 -51.387 1.00 42.73 ? 172 SER D CB 1 +ATOM 14171 O OG . SER D 4 162 ? 1.104 -50.644 -51.909 1.00 48.09 ? 172 SER D OG 1 +ATOM 14172 N N . PHE D 4 163 ? 2.723 -53.670 -49.197 1.00 53.39 ? 173 PHE D N 1 +ATOM 14173 C CA . PHE D 4 163 ? 3.496 -54.738 -48.562 1.00 46.56 ? 173 PHE D CA 1 +ATOM 14174 C C . PHE D 4 163 ? 4.388 -55.401 -49.607 1.00 54.39 ? 173 PHE D C 1 +ATOM 14175 O O . PHE D 4 163 ? 4.053 -56.433 -50.207 1.00 49.64 ? 173 PHE D O 1 +ATOM 14176 C CB . PHE D 4 163 ? 2.570 -55.769 -47.925 1.00 44.24 ? 173 PHE D CB 1 +ATOM 14177 C CG . PHE D 4 163 ? 1.780 -55.264 -46.739 1.00 46.48 ? 173 PHE D CG 1 +ATOM 14178 C CD1 . PHE D 4 163 ? 2.377 -55.130 -45.486 1.00 44.83 ? 173 PHE D CD1 1 +ATOM 14179 C CD2 . PHE D 4 163 ? 0.423 -54.991 -46.858 1.00 45.82 ? 173 PHE D CD2 1 +ATOM 14180 C CE1 . PHE D 4 163 ? 1.628 -54.707 -44.372 1.00 51.54 ? 173 PHE D CE1 1 +ATOM 14181 C CE2 . PHE D 4 163 ? -0.324 -54.567 -45.768 1.00 47.66 ? 173 PHE D CE2 1 +ATOM 14182 C CZ . PHE D 4 163 ? 0.276 -54.427 -44.522 1.00 49.47 ? 173 PHE D CZ 1 +ATOM 14183 N N . GLY D 4 164 ? 5.552 -54.805 -49.822 1.00 44.83 ? 174 GLY D N 1 +ATOM 14184 C CA . GLY D 4 164 ? 6.513 -55.374 -50.746 1.00 41.95 ? 174 GLY D CA 1 +ATOM 14185 C C . GLY D 4 164 ? 7.830 -54.651 -50.621 1.00 50.47 ? 174 GLY D C 1 +ATOM 14186 O O . GLY D 4 164 ? 7.901 -53.540 -50.079 1.00 45.90 ? 174 GLY D O 1 +ATOM 14187 N N . VAL D 4 165 ? 8.880 -55.298 -51.127 1.00 43.48 ? 175 VAL D N 1 +ATOM 14188 C CA . VAL D 4 165 ? 10.221 -54.725 -50.998 1.00 50.40 ? 175 VAL D CA 1 +ATOM 14189 C C . VAL D 4 165 ? 10.334 -53.407 -51.775 1.00 45.70 ? 175 VAL D C 1 +ATOM 14190 O O . VAL D 4 165 ? 10.588 -52.345 -51.194 1.00 49.28 ? 175 VAL D O 1 +ATOM 14191 C CB . VAL D 4 165 ? 11.279 -55.753 -51.431 1.00 50.10 ? 175 VAL D CB 1 +ATOM 14192 C CG1 . VAL D 4 165 ? 12.629 -55.090 -51.625 1.00 44.27 ? 175 VAL D CG1 1 +ATOM 14193 C CG2 . VAL D 4 165 ? 11.355 -56.859 -50.326 1.00 45.00 ? 175 VAL D CG2 1 +ATOM 14194 N N . ALA D 4 166 ? 10.140 -53.451 -53.101 1.00 43.34 ? 176 ALA D N 1 +ATOM 14195 C CA . ALA D 4 166 ? 10.293 -52.239 -53.890 1.00 39.81 ? 176 ALA D CA 1 +ATOM 14196 C C . ALA D 4 166 ? 9.165 -51.260 -53.620 1.00 48.14 ? 176 ALA D C 1 +ATOM 14197 O O . ALA D 4 166 ? 9.356 -50.049 -53.774 1.00 47.16 ? 176 ALA D O 1 +ATOM 14198 C CB . ALA D 4 166 ? 10.371 -52.569 -55.386 1.00 44.18 ? 176 ALA D CB 1 +ATOM 14199 N N . ALA D 4 167 ? 7.988 -51.749 -53.214 1.00 46.77 ? 177 ALA D N 1 +ATOM 14200 C CA . ALA D 4 167 ? 6.911 -50.815 -52.889 1.00 48.25 ? 177 ALA D CA 1 +ATOM 14201 C C . ALA D 4 167 ? 7.269 -49.976 -51.667 1.00 48.36 ? 177 ALA D C 1 +ATOM 14202 O O . ALA D 4 167 ? 6.859 -48.810 -51.558 1.00 45.30 ? 177 ALA D O 1 +ATOM 14203 C CB . ALA D 4 167 ? 5.599 -51.568 -52.656 1.00 41.74 ? 177 ALA D CB 1 +ATOM 14204 N N . ILE D 4 168 ? 8.036 -50.550 -50.743 1.00 46.46 ? 178 ILE D N 1 +ATOM 14205 C CA . ILE D 4 168 ? 8.428 -49.809 -49.552 1.00 44.66 ? 178 ILE D CA 1 +ATOM 14206 C C . ILE D 4 168 ? 9.492 -48.777 -49.922 1.00 43.22 ? 178 ILE D C 1 +ATOM 14207 O O . ILE D 4 168 ? 9.496 -47.651 -49.405 1.00 49.58 ? 178 ILE D O 1 +ATOM 14208 C CB . ILE D 4 168 ? 8.890 -50.801 -48.459 1.00 44.21 ? 178 ILE D CB 1 +ATOM 14209 C CG1 . ILE D 4 168 ? 7.675 -51.421 -47.720 1.00 46.94 ? 178 ILE D CG1 1 +ATOM 14210 C CG2 . ILE D 4 168 ? 9.948 -50.191 -47.515 1.00 44.15 ? 178 ILE D CG2 1 +ATOM 14211 C CD1 . ILE D 4 168 ? 7.005 -50.511 -46.714 1.00 53.85 ? 178 ILE D CD1 1 +ATOM 14212 N N . PHE D 4 169 ? 10.386 -49.134 -50.853 1.00 42.56 ? 179 PHE D N 1 +ATOM 14213 C CA . PHE D 4 169 ? 11.355 -48.169 -51.363 1.00 44.83 ? 179 PHE D CA 1 +ATOM 14214 C C . PHE D 4 169 ? 10.653 -46.976 -52.001 1.00 45.23 ? 179 PHE D C 1 +ATOM 14215 O O . PHE D 4 169 ? 11.100 -45.835 -51.868 1.00 47.67 ? 179 PHE D O 1 +ATOM 14216 C CB . PHE D 4 169 ? 12.276 -48.828 -52.389 1.00 43.60 ? 179 PHE D CB 1 +ATOM 14217 C CG . PHE D 4 169 ? 13.091 -49.968 -51.855 1.00 44.98 ? 179 PHE D CG 1 +ATOM 14218 C CD1 . PHE D 4 169 ? 13.387 -50.071 -50.500 1.00 44.17 ? 179 PHE D CD1 1 +ATOM 14219 C CD2 . PHE D 4 169 ? 13.583 -50.942 -52.724 1.00 47.23 ? 179 PHE D CD2 1 +ATOM 14220 C CE1 . PHE D 4 169 ? 14.150 -51.124 -50.007 1.00 45.89 ? 179 PHE D CE1 1 +ATOM 14221 C CE2 . PHE D 4 169 ? 14.336 -52.007 -52.235 1.00 52.86 ? 179 PHE D CE2 1 +ATOM 14222 C CZ . PHE D 4 169 ? 14.629 -52.091 -50.864 1.00 43.93 ? 179 PHE D CZ 1 +ATOM 14223 N N . ARG D 4 170 ? 9.567 -47.224 -52.718 1.00 44.09 ? 180 ARG D N 1 +ATOM 14224 C CA . ARG D 4 170 ? 8.799 -46.121 -53.281 1.00 49.13 ? 180 ARG D CA 1 +ATOM 14225 C C . ARG D 4 170 ? 8.246 -45.242 -52.166 1.00 42.06 ? 180 ARG D C 1 +ATOM 14226 O O . ARG D 4 170 ? 8.194 -44.010 -52.291 1.00 48.91 ? 180 ARG D O 1 +ATOM 14227 C CB . ARG D 4 170 ? 7.688 -46.704 -54.182 1.00 46.19 ? 180 ARG D CB 1 +ATOM 14228 C CG . ARG D 4 170 ? 6.554 -45.760 -54.532 1.00 45.52 ? 180 ARG D CG 1 +ATOM 14229 C CD . ARG D 4 170 ? 5.501 -45.703 -53.443 1.00 45.98 ? 180 ARG D CD 1 +ATOM 14230 N NE . ARG D 4 170 ? 4.485 -44.709 -53.729 1.00 46.05 ? 180 ARG D NE 1 +ATOM 14231 C CZ . ARG D 4 170 ? 3.571 -44.314 -52.855 1.00 52.73 ? 180 ARG D CZ 1 +ATOM 14232 N NH1 . ARG D 4 170 ? 3.509 -44.832 -51.644 1.00 47.11 ? 180 ARG D NH1 1 +ATOM 14233 N NH2 . ARG D 4 170 ? 2.722 -43.345 -53.195 1.00 45.47 ? 180 ARG D NH2 1 +ATOM 14234 N N . PHE D 4 171 ? 7.826 -45.872 -51.069 1.00 43.25 ? 181 PHE D N 1 +ATOM 14235 C CA . PHE D 4 171 ? 7.327 -45.169 -49.896 1.00 48.34 ? 181 PHE D CA 1 +ATOM 14236 C C . PHE D 4 171 ? 8.396 -44.248 -49.309 1.00 44.29 ? 181 PHE D C 1 +ATOM 14237 O O . PHE D 4 171 ? 8.114 -43.100 -48.989 1.00 40.50 ? 181 PHE D O 1 +ATOM 14238 C CB . PHE D 4 171 ? 6.847 -46.204 -48.867 1.00 40.44 ? 181 PHE D CB 1 +ATOM 14239 C CG . PHE D 4 171 ? 6.016 -45.630 -47.727 1.00 49.91 ? 181 PHE D CG 1 +ATOM 14240 C CD1 . PHE D 4 171 ? 4.692 -45.234 -47.936 1.00 44.74 ? 181 PHE D CD1 1 +ATOM 14241 C CD2 . PHE D 4 171 ? 6.546 -45.530 -46.445 1.00 41.82 ? 181 PHE D CD2 1 +ATOM 14242 C CE1 . PHE D 4 171 ? 3.931 -44.739 -46.887 1.00 48.70 ? 181 PHE D CE1 1 +ATOM 14243 C CE2 . PHE D 4 171 ? 5.804 -45.012 -45.386 1.00 43.24 ? 181 PHE D CE2 1 +ATOM 14244 C CZ . PHE D 4 171 ? 4.493 -44.637 -45.596 1.00 52.36 ? 181 PHE D CZ 1 +ATOM 14245 N N . LEU D 4 172 ? 9.631 -44.738 -49.174 1.00 49.47 ? 182 LEU D N 1 +ATOM 14246 C CA . LEU D 4 172 ? 10.732 -43.890 -48.720 1.00 43.56 ? 182 LEU D CA 1 +ATOM 14247 C C . LEU D 4 172 ? 10.893 -42.662 -49.610 1.00 45.67 ? 182 LEU D C 1 +ATOM 14248 O O . LEU D 4 172 ? 11.026 -41.528 -49.119 1.00 44.49 ? 182 LEU D O 1 +ATOM 14249 C CB . LEU D 4 172 ? 12.040 -44.692 -48.711 1.00 43.47 ? 182 LEU D CB 1 +ATOM 14250 C CG . LEU D 4 172 ? 12.075 -46.033 -47.952 1.00 44.01 ? 182 LEU D CG 1 +ATOM 14251 C CD1 . LEU D 4 172 ? 13.437 -46.674 -48.109 1.00 41.60 ? 182 LEU D CD1 1 +ATOM 14252 C CD2 . LEU D 4 172 ? 11.729 -45.846 -46.467 1.00 35.53 ? 182 LEU D CD2 1 +ATOM 14253 N N A LEU D 4 173 ? 10.891 -42.874 -50.926 0.40 46.80 ? 183 LEU D N 1 +ATOM 14254 N N B LEU D 4 173 ? 10.896 -42.869 -50.933 0.60 46.90 ? 183 LEU D N 1 +ATOM 14255 C CA A LEU D 4 173 ? 11.160 -41.785 -51.861 0.40 43.75 ? 183 LEU D CA 1 +ATOM 14256 C CA B LEU D 4 173 ? 11.173 -41.770 -51.850 0.60 43.71 ? 183 LEU D CA 1 +ATOM 14257 C C A LEU D 4 173 ? 9.989 -40.813 -51.934 0.40 45.09 ? 183 LEU D C 1 +ATOM 14258 C C B LEU D 4 173 ? 9.996 -40.803 -51.937 0.60 45.09 ? 183 LEU D C 1 +ATOM 14259 O O A LEU D 4 173 ? 10.191 -39.600 -52.025 0.40 43.89 ? 183 LEU D O 1 +ATOM 14260 O O B LEU D 4 173 ? 10.197 -39.590 -52.065 0.60 43.95 ? 183 LEU D O 1 +ATOM 14261 C CB A LEU D 4 173 ? 11.489 -42.363 -53.232 0.40 47.76 ? 183 LEU D CB 1 +ATOM 14262 C CB B LEU D 4 173 ? 11.536 -42.321 -53.222 0.60 47.76 ? 183 LEU D CB 1 +ATOM 14263 C CG A LEU D 4 173 ? 12.691 -43.310 -53.209 0.40 48.09 ? 183 LEU D CG 1 +ATOM 14264 C CG B LEU D 4 173 ? 12.703 -43.310 -53.200 0.60 48.19 ? 183 LEU D CG 1 +ATOM 14265 C CD1 A LEU D 4 173 ? 12.996 -43.824 -54.632 0.40 44.78 ? 183 LEU D CD1 1 +ATOM 14266 C CD1 B LEU D 4 173 ? 12.961 -43.884 -54.604 0.60 44.72 ? 183 LEU D CD1 1 +ATOM 14267 C CD2 A LEU D 4 173 ? 13.905 -42.604 -52.593 0.40 39.21 ? 183 LEU D CD2 1 +ATOM 14268 C CD2 B LEU D 4 173 ? 13.937 -42.623 -52.648 0.60 39.20 ? 183 LEU D CD2 1 +ATOM 14269 N N . PHE D 4 174 ? 8.761 -41.315 -51.872 1.00 50.80 ? 184 PHE D N 1 +ATOM 14270 C CA . PHE D 4 174 ? 7.610 -40.425 -51.726 1.00 40.33 ? 184 PHE D CA 1 +ATOM 14271 C C . PHE D 4 174 ? 7.761 -39.541 -50.489 1.00 45.59 ? 184 PHE D C 1 +ATOM 14272 O O . PHE D 4 174 ? 7.470 -38.339 -50.539 1.00 46.77 ? 184 PHE D O 1 +ATOM 14273 C CB . PHE D 4 174 ? 6.330 -41.260 -51.649 1.00 44.07 ? 184 PHE D CB 1 +ATOM 14274 C CG . PHE D 4 174 ? 5.079 -40.456 -51.600 1.00 45.09 ? 184 PHE D CG 1 +ATOM 14275 C CD1 . PHE D 4 174 ? 4.622 -39.908 -50.409 1.00 41.03 ? 184 PHE D CD1 1 +ATOM 14276 C CD2 . PHE D 4 174 ? 4.325 -40.277 -52.755 1.00 45.08 ? 184 PHE D CD2 1 +ATOM 14277 C CE1 . PHE D 4 174 ? 3.450 -39.149 -50.372 1.00 52.37 ? 184 PHE D CE1 1 +ATOM 14278 C CE2 . PHE D 4 174 ? 3.153 -39.536 -52.731 1.00 53.39 ? 184 PHE D CE2 1 +ATOM 14279 C CZ . PHE D 4 174 ? 2.710 -38.957 -51.543 1.00 43.13 ? 184 PHE D CZ 1 +ATOM 14280 N N . PHE D 4 175 ? 8.239 -40.109 -49.365 1.00 41.00 ? 185 PHE D N 1 +ATOM 14281 C CA . PHE D 4 175 ? 8.323 -39.301 -48.151 1.00 44.18 ? 185 PHE D CA 1 +ATOM 14282 C C . PHE D 4 175 ? 9.379 -38.213 -48.279 1.00 42.69 ? 185 PHE D C 1 +ATOM 14283 O O . PHE D 4 175 ? 9.235 -37.142 -47.673 1.00 42.83 ? 185 PHE D O 1 +ATOM 14284 C CB . PHE D 4 175 ? 8.567 -40.177 -46.911 1.00 45.63 ? 185 PHE D CB 1 +ATOM 14285 C CG . PHE D 4 175 ? 7.288 -40.558 -46.197 1.00 40.49 ? 185 PHE D CG 1 +ATOM 14286 C CD1 . PHE D 4 175 ? 6.238 -41.141 -46.918 1.00 40.57 ? 185 PHE D CD1 1 +ATOM 14287 C CD2 . PHE D 4 175 ? 7.136 -40.343 -44.830 1.00 45.44 ? 185 PHE D CD2 1 +ATOM 14288 C CE1 . PHE D 4 175 ? 5.052 -41.469 -46.284 1.00 44.93 ? 185 PHE D CE1 1 +ATOM 14289 C CE2 . PHE D 4 175 ? 5.958 -40.687 -44.189 1.00 47.25 ? 185 PHE D CE2 1 +ATOM 14290 C CZ . PHE D 4 175 ? 4.906 -41.237 -44.922 1.00 43.08 ? 185 PHE D CZ 1 +ATOM 14291 N N A GLN D 4 176 ? 10.424 -38.457 -49.066 0.40 41.47 ? 186 GLN D N 1 +ATOM 14292 N N B GLN D 4 176 ? 10.443 -38.459 -49.056 0.60 41.40 ? 186 GLN D N 1 +ATOM 14293 C CA A GLN D 4 176 ? 11.422 -37.415 -49.284 0.40 43.07 ? 186 GLN D CA 1 +ATOM 14294 C CA B GLN D 4 176 ? 11.424 -37.406 -49.294 0.60 43.18 ? 186 GLN D CA 1 +ATOM 14295 C C A GLN D 4 176 ? 10.851 -36.302 -50.159 0.40 45.43 ? 186 GLN D C 1 +ATOM 14296 C C B GLN D 4 176 ? 10.837 -36.311 -50.179 0.60 45.59 ? 186 GLN D C 1 +ATOM 14297 O O A GLN D 4 176 ? 10.896 -35.126 -49.791 0.40 41.02 ? 186 GLN D O 1 +ATOM 14298 O O B GLN D 4 176 ? 10.875 -35.128 -49.826 0.60 40.81 ? 186 GLN D O 1 +ATOM 14299 C CB A GLN D 4 176 ? 12.684 -38.006 -49.922 0.40 41.89 ? 186 GLN D CB 1 +ATOM 14300 C CB B GLN D 4 176 ? 12.691 -37.983 -49.928 0.60 42.01 ? 186 GLN D CB 1 +ATOM 14301 C CG A GLN D 4 176 ? 13.731 -36.916 -50.239 0.40 42.21 ? 186 GLN D CG 1 +ATOM 14302 C CG B GLN D 4 176 ? 13.726 -36.886 -50.235 0.60 42.19 ? 186 GLN D CG 1 +ATOM 14303 C CD A GLN D 4 176 ? 14.115 -36.098 -49.002 0.40 44.54 ? 186 GLN D CD 1 +ATOM 14304 C CD B GLN D 4 176 ? 14.123 -36.097 -48.988 0.60 44.64 ? 186 GLN D CD 1 +ATOM 14305 O OE1 A GLN D 4 176 ? 14.353 -36.647 -47.922 0.40 45.84 ? 186 GLN D OE1 1 +ATOM 14306 O OE1 B GLN D 4 176 ? 14.346 -36.670 -47.918 0.60 46.02 ? 186 GLN D OE1 1 +ATOM 14307 N NE2 A GLN D 4 176 ? 14.181 -34.788 -49.160 0.40 41.01 ? 186 GLN D NE2 1 +ATOM 14308 N NE2 B GLN D 4 176 ? 14.207 -34.782 -49.121 0.60 40.92 ? 186 GLN D NE2 1 +ATOM 14309 N N A GLY D 4 177 ? 10.252 -36.668 -51.300 0.40 41.25 ? 187 GLY D N 1 +ATOM 14310 N N B GLY D 4 177 ? 10.257 -36.697 -51.322 0.60 41.19 ? 187 GLY D N 1 +ATOM 14311 C CA A GLY D 4 177 ? 9.816 -35.659 -52.251 0.40 39.01 ? 187 GLY D CA 1 +ATOM 14312 C CA B GLY D 4 177 ? 9.791 -35.706 -52.277 0.60 38.93 ? 187 GLY D CA 1 +ATOM 14313 C C A GLY D 4 177 ? 8.633 -34.844 -51.768 0.40 40.21 ? 187 GLY D C 1 +ATOM 14314 C C B GLY D 4 177 ? 8.638 -34.866 -51.764 0.60 40.20 ? 187 GLY D C 1 +ATOM 14315 O O A GLY D 4 177 ? 8.577 -33.634 -51.990 0.40 43.44 ? 187 GLY D O 1 +ATOM 14316 O O B GLY D 4 177 ? 8.625 -33.649 -51.940 0.60 43.43 ? 187 GLY D O 1 +ATOM 14317 N N . PHE D 4 178 ? 7.663 -35.495 -51.119 1.00 40.06 ? 188 PHE D N 1 +ATOM 14318 C CA . PHE D 4 178 ? 6.449 -34.792 -50.705 1.00 42.56 ? 188 PHE D CA 1 +ATOM 14319 C C . PHE D 4 178 ? 6.519 -34.222 -49.292 1.00 43.62 ? 188 PHE D C 1 +ATOM 14320 O O . PHE D 4 178 ? 6.006 -33.123 -49.054 1.00 45.39 ? 188 PHE D O 1 +ATOM 14321 C CB . PHE D 4 178 ? 5.232 -35.717 -50.856 1.00 39.15 ? 188 PHE D CB 1 +ATOM 14322 C CG . PHE D 4 178 ? 4.862 -35.967 -52.314 1.00 42.44 ? 188 PHE D CG 1 +ATOM 14323 C CD1 . PHE D 4 178 ? 5.499 -36.966 -53.040 1.00 42.70 ? 188 PHE D CD1 1 +ATOM 14324 C CD2 . PHE D 4 178 ? 3.916 -35.168 -52.955 1.00 43.58 ? 188 PHE D CD2 1 +ATOM 14325 C CE1 . PHE D 4 178 ? 5.181 -37.176 -54.389 1.00 47.38 ? 188 PHE D CE1 1 +ATOM 14326 C CE2 . PHE D 4 178 ? 3.591 -35.359 -54.312 1.00 45.81 ? 188 PHE D CE2 1 +ATOM 14327 C CZ . PHE D 4 178 ? 4.222 -36.348 -55.029 1.00 45.78 ? 188 PHE D CZ 1 +ATOM 14328 N N . HIS D 4 179 ? 7.169 -34.918 -48.363 1.00 40.65 ? 189 HIS D N 1 +ATOM 14329 C CA . HIS D 4 179 ? 7.156 -34.532 -46.962 1.00 40.17 ? 189 HIS D CA 1 +ATOM 14330 C C . HIS D 4 179 ? 8.484 -33.958 -46.467 1.00 42.47 ? 189 HIS D C 1 +ATOM 14331 O O . HIS D 4 179 ? 8.511 -33.404 -45.363 1.00 42.18 ? 189 HIS D O 1 +ATOM 14332 C CB . HIS D 4 179 ? 6.785 -35.735 -46.069 1.00 40.72 ? 189 HIS D CB 1 +ATOM 14333 C CG . HIS D 4 179 ? 5.384 -36.251 -46.254 1.00 48.16 ? 189 HIS D CG 1 +ATOM 14334 N ND1 . HIS D 4 179 ? 4.263 -35.452 -46.138 1.00 39.66 ? 189 HIS D ND1 1 +ATOM 14335 C CD2 . HIS D 4 179 ? 4.925 -37.507 -46.485 1.00 48.06 ? 189 HIS D CD2 1 +ATOM 14336 C CE1 . HIS D 4 179 ? 3.178 -36.186 -46.314 1.00 48.54 ? 189 HIS D CE1 1 +ATOM 14337 N NE2 . HIS D 4 179 ? 3.552 -37.436 -46.538 1.00 44.02 ? 189 HIS D NE2 1 +ATOM 14338 N N . ASN D 4 180 ? 9.575 -34.071 -47.242 1.00 41.01 ? 190 ASN D N 1 +ATOM 14339 C CA . ASN D 4 180 ? 10.916 -33.671 -46.797 1.00 45.73 ? 190 ASN D CA 1 +ATOM 14340 C C . ASN D 4 180 ? 11.230 -34.314 -45.454 1.00 44.34 ? 190 ASN D C 1 +ATOM 14341 O O . ASN D 4 180 ? 11.655 -33.655 -44.499 1.00 44.02 ? 190 ASN D O 1 +ATOM 14342 C CB . ASN D 4 180 ? 11.079 -32.151 -46.717 1.00 36.47 ? 190 ASN D CB 1 +ATOM 14343 C CG . ASN D 4 180 ? 12.527 -31.695 -46.977 1.00 43.06 ? 190 ASN D CG 1 +ATOM 14344 O OD1 . ASN D 4 180 ? 13.377 -32.475 -47.378 1.00 48.43 ? 190 ASN D OD1 1 +ATOM 14345 N ND2 . ASN D 4 180 ? 12.787 -30.408 -46.777 1.00 43.18 ? 190 ASN D ND2 1 +ATOM 14346 N N . TRP D 4 181 ? 11.041 -35.650 -45.408 1.00 43.67 ? 191 TRP D N 1 +ATOM 14347 C CA . TRP D 4 181 ? 11.013 -36.343 -44.131 1.00 48.97 ? 191 TRP D CA 1 +ATOM 14348 C C . TRP D 4 181 ? 12.405 -36.436 -43.510 1.00 41.35 ? 191 TRP D C 1 +ATOM 14349 O O . TRP D 4 181 ? 12.509 -36.527 -42.282 1.00 42.54 ? 191 TRP D O 1 +ATOM 14350 C CB . TRP D 4 181 ? 10.346 -37.705 -44.345 1.00 41.37 ? 191 TRP D CB 1 +ATOM 14351 C CG . TRP D 4 181 ? 10.349 -38.747 -43.237 1.00 45.40 ? 191 TRP D CG 1 +ATOM 14352 C CD1 . TRP D 4 181 ? 10.797 -40.037 -43.342 1.00 45.54 ? 191 TRP D CD1 1 +ATOM 14353 C CD2 . TRP D 4 181 ? 9.808 -38.625 -41.909 1.00 43.99 ? 191 TRP D CD2 1 +ATOM 14354 N NE1 . TRP D 4 181 ? 10.593 -40.711 -42.171 1.00 43.62 ? 191 TRP D NE1 1 +ATOM 14355 C CE2 . TRP D 4 181 ? 9.988 -39.875 -41.272 1.00 46.08 ? 191 TRP D CE2 1 +ATOM 14356 C CE3 . TRP D 4 181 ? 9.187 -37.592 -41.202 1.00 38.27 ? 191 TRP D CE3 1 +ATOM 14357 C CZ2 . TRP D 4 181 ? 9.572 -40.117 -39.962 1.00 47.81 ? 191 TRP D CZ2 1 +ATOM 14358 C CZ3 . TRP D 4 181 ? 8.780 -37.830 -39.883 1.00 43.25 ? 191 TRP D CZ3 1 +ATOM 14359 C CH2 . TRP D 4 181 ? 8.987 -39.075 -39.277 1.00 44.63 ? 191 TRP D CH2 1 +ATOM 14360 N N A THR D 4 182 ? 13.469 -36.387 -44.330 0.40 40.71 ? 192 THR D N 1 +ATOM 14361 N N B THR D 4 182 ? 13.477 -36.418 -44.317 0.60 40.67 ? 192 THR D N 1 +ATOM 14362 C CA A THR D 4 182 ? 14.821 -36.346 -43.765 0.40 44.66 ? 192 THR D CA 1 +ATOM 14363 C CA B THR D 4 182 ? 14.819 -36.361 -43.732 0.60 44.70 ? 192 THR D CA 1 +ATOM 14364 C C A THR D 4 182 ? 15.022 -35.110 -42.896 0.40 46.01 ? 192 THR D C 1 +ATOM 14365 C C B THR D 4 182 ? 15.000 -35.120 -42.865 0.60 46.15 ? 192 THR D C 1 +ATOM 14366 O O A THR D 4 182 ? 15.813 -35.133 -41.946 0.40 45.79 ? 192 THR D O 1 +ATOM 14367 O O B THR D 4 182 ? 15.772 -35.145 -41.900 0.60 45.88 ? 192 THR D O 1 +ATOM 14368 C CB A THR D 4 182 ? 15.886 -36.375 -44.877 0.40 42.09 ? 192 THR D CB 1 +ATOM 14369 C CB B THR D 4 182 ? 15.905 -36.385 -44.814 0.60 42.12 ? 192 THR D CB 1 +ATOM 14370 O OG1 A THR D 4 182 ? 15.477 -35.516 -45.947 0.40 43.46 ? 192 THR D OG1 1 +ATOM 14371 O OG1 B THR D 4 182 ? 15.533 -35.510 -45.881 0.60 43.45 ? 192 THR D OG1 1 +ATOM 14372 C CG2 A THR D 4 182 ? 16.069 -37.779 -45.428 0.40 37.91 ? 192 THR D CG2 1 +ATOM 14373 C CG2 B THR D 4 182 ? 16.100 -37.795 -45.373 0.60 37.89 ? 192 THR D CG2 1 +ATOM 14374 N N . LEU D 4 183 ? 14.298 -34.031 -43.182 1.00 44.73 ? 193 LEU D N 1 +ATOM 14375 C CA . LEU D 4 183 ? 14.448 -32.795 -42.425 1.00 44.27 ? 193 LEU D CA 1 +ATOM 14376 C C . LEU D 4 183 ? 13.745 -32.843 -41.072 1.00 42.88 ? 193 LEU D C 1 +ATOM 14377 O O . LEU D 4 183 ? 13.962 -31.952 -40.250 1.00 40.78 ? 193 LEU D O 1 +ATOM 14378 C CB . LEU D 4 183 ? 13.920 -31.603 -43.251 1.00 40.72 ? 193 LEU D CB 1 +ATOM 14379 C CG . LEU D 4 183 ? 14.502 -30.211 -42.916 1.00 47.99 ? 193 LEU D CG 1 +ATOM 14380 C CD1 . LEU D 4 183 ? 15.986 -30.125 -43.307 1.00 43.34 ? 193 LEU D CD1 1 +ATOM 14381 C CD2 . LEU D 4 183 ? 13.722 -29.077 -43.566 1.00 40.58 ? 193 LEU D CD2 1 +ATOM 14382 N N . ASN D 4 184 ? 12.921 -33.850 -40.823 1.00 42.29 ? 194 ASN D N 1 +ATOM 14383 C CA . ASN D 4 184 ? 12.063 -33.848 -39.652 1.00 41.05 ? 194 ASN D CA 1 +ATOM 14384 C C . ASN D 4 184 ? 12.847 -34.279 -38.405 1.00 42.65 ? 194 ASN D C 1 +ATOM 14385 O O . ASN D 4 184 ? 13.454 -35.354 -38.405 1.00 41.79 ? 194 ASN D O 1 +ATOM 14386 C CB . ASN D 4 184 ? 10.870 -34.764 -39.908 1.00 41.33 ? 194 ASN D CB 1 +ATOM 14387 C CG . ASN D 4 184 ? 9.755 -34.560 -38.905 1.00 43.16 ? 194 ASN D CG 1 +ATOM 14388 O OD1 . ASN D 4 184 ? 9.945 -34.763 -37.725 1.00 44.27 ? 194 ASN D OD1 1 +ATOM 14389 N ND2 . ASN D 4 184 ? 8.580 -34.151 -39.383 1.00 40.59 ? 194 ASN D ND2 1 +ATOM 14390 N N . PRO D 4 185 ? 12.883 -33.472 -37.342 1.00 43.45 ? 195 PRO D N 1 +ATOM 14391 C CA . PRO D 4 185 ? 13.676 -33.872 -36.162 1.00 45.67 ? 195 PRO D CA 1 +ATOM 14392 C C . PRO D 4 185 ? 13.169 -35.144 -35.487 1.00 50.86 ? 195 PRO D C 1 +ATOM 14393 O O . PRO D 4 185 ? 13.951 -35.823 -34.801 1.00 41.53 ? 195 PRO D O 1 +ATOM 14394 C CB . PRO D 4 185 ? 13.569 -32.653 -35.224 1.00 43.57 ? 195 PRO D CB 1 +ATOM 14395 C CG . PRO D 4 185 ? 12.363 -31.913 -35.669 1.00 42.00 ? 195 PRO D CG 1 +ATOM 14396 C CD . PRO D 4 185 ? 12.278 -32.139 -37.182 1.00 34.23 ? 195 PRO D CD 1 +ATOM 14397 N N . PHE D 4 186 ? 11.887 -35.488 -35.655 1.00 39.97 ? 196 PHE D N 1 +ATOM 14398 C CA . PHE D 4 186 ? 11.400 -36.740 -35.090 1.00 46.63 ? 196 PHE D CA 1 +ATOM 14399 C C . PHE D 4 186 ? 11.970 -37.936 -35.828 1.00 45.93 ? 196 PHE D C 1 +ATOM 14400 O O . PHE D 4 186 ? 12.270 -38.953 -35.202 1.00 46.80 ? 196 PHE D O 1 +ATOM 14401 C CB . PHE D 4 186 ? 9.879 -36.774 -35.089 1.00 40.50 ? 196 PHE D CB 1 +ATOM 14402 C CG . PHE D 4 186 ? 9.288 -35.844 -34.108 1.00 44.09 ? 196 PHE D CG 1 +ATOM 14403 C CD1 . PHE D 4 186 ? 9.302 -36.165 -32.755 1.00 41.47 ? 196 PHE D CD1 1 +ATOM 14404 C CD2 . PHE D 4 186 ? 8.742 -34.632 -34.527 1.00 42.91 ? 196 PHE D CD2 1 +ATOM 14405 C CE1 . PHE D 4 186 ? 8.769 -35.276 -31.811 1.00 45.83 ? 196 PHE D CE1 1 +ATOM 14406 C CE2 . PHE D 4 186 ? 8.214 -33.748 -33.598 1.00 42.79 ? 196 PHE D CE2 1 +ATOM 14407 C CZ . PHE D 4 186 ? 8.231 -34.069 -32.245 1.00 42.54 ? 196 PHE D CZ 1 +ATOM 14408 N N . HIS D 4 187 ? 12.137 -37.830 -37.150 1.00 42.43 ? 197 HIS D N 1 +ATOM 14409 C CA . HIS D 4 187 ? 12.866 -38.862 -37.872 1.00 43.47 ? 197 HIS D CA 1 +ATOM 14410 C C . HIS D 4 187 ? 14.327 -38.910 -37.432 1.00 39.55 ? 197 HIS D C 1 +ATOM 14411 O O . HIS D 4 187 ? 14.898 -39.993 -37.260 1.00 45.29 ? 197 HIS D O 1 +ATOM 14412 C CB . HIS D 4 187 ? 12.771 -38.639 -39.392 1.00 35.80 ? 197 HIS D CB 1 +ATOM 14413 C CG . HIS D 4 187 ? 13.350 -39.775 -40.198 1.00 43.38 ? 197 HIS D CG 1 +ATOM 14414 N ND1 . HIS D 4 187 ? 14.473 -39.636 -40.988 1.00 41.28 ? 197 HIS D ND1 1 +ATOM 14415 C CD2 . HIS D 4 187 ? 12.986 -41.081 -40.294 1.00 38.85 ? 197 HIS D CD2 1 +ATOM 14416 C CE1 . HIS D 4 187 ? 14.763 -40.799 -41.554 1.00 43.79 ? 197 HIS D CE1 1 +ATOM 14417 N NE2 . HIS D 4 187 ? 13.875 -41.696 -41.151 1.00 47.84 ? 197 HIS D NE2 1 +ATOM 14418 N N . MET D 4 188 ? 14.958 -37.746 -37.309 1.00 37.51 ? 198 MET D N 1 +ATOM 14419 C CA . MET D 4 188 ? 16.346 -37.666 -36.871 1.00 48.23 ? 198 MET D CA 1 +ATOM 14420 C C . MET D 4 188 ? 16.562 -38.397 -35.554 1.00 46.41 ? 198 MET D C 1 +ATOM 14421 O O . MET D 4 188 ? 17.546 -39.130 -35.391 1.00 43.03 ? 198 MET D O 1 +ATOM 14422 C CB . MET D 4 188 ? 16.757 -36.191 -36.724 1.00 43.00 ? 198 MET D CB 1 +ATOM 14423 C CG . MET D 4 188 ? 16.921 -35.490 -38.080 1.00 42.32 ? 198 MET D CG 1 +ATOM 14424 S SD . MET D 4 188 ? 17.024 -33.709 -37.890 1.00 45.49 ? 198 MET D SD 1 +ATOM 14425 C CE . MET D 4 188 ? 17.247 -33.187 -39.596 1.00 34.48 ? 198 MET D CE 1 +ATOM 14426 N N . MET D 4 189 ? 15.659 -38.193 -34.592 1.00 42.39 ? 199 MET D N 1 +ATOM 14427 C CA . MET D 4 189 ? 15.774 -38.915 -33.332 1.00 45.69 ? 199 MET D CA 1 +ATOM 14428 C C . MET D 4 189 ? 15.616 -40.413 -33.545 1.00 48.20 ? 199 MET D C 1 +ATOM 14429 O O . MET D 4 189 ? 16.289 -41.213 -32.875 1.00 42.59 ? 199 MET D O 1 +ATOM 14430 C CB . MET D 4 189 ? 14.756 -38.390 -32.325 1.00 43.74 ? 199 MET D CB 1 +ATOM 14431 C CG . MET D 4 189 ? 15.137 -37.023 -31.768 1.00 45.27 ? 199 MET D CG 1 +ATOM 14432 S SD . MET D 4 189 ? 14.050 -36.492 -30.431 1.00 50.15 ? 199 MET D SD 1 +ATOM 14433 C CE . MET D 4 189 ? 12.613 -35.958 -31.371 1.00 42.86 ? 199 MET D CE 1 +ATOM 14434 N N . GLY D 4 190 ? 14.743 -40.815 -34.482 1.00 41.55 ? 200 GLY D N 1 +ATOM 14435 C CA . GLY D 4 190 ? 14.601 -42.233 -34.768 1.00 38.27 ? 200 GLY D CA 1 +ATOM 14436 C C . GLY D 4 190 ? 15.868 -42.817 -35.363 1.00 43.58 ? 200 GLY D C 1 +ATOM 14437 O O . GLY D 4 190 ? 16.323 -43.887 -34.959 1.00 43.71 ? 200 GLY D O 1 +ATOM 14438 N N . VAL D 4 191 ? 16.464 -42.107 -36.329 1.00 47.53 ? 201 VAL D N 1 +ATOM 14439 C CA . VAL D 4 191 ? 17.745 -42.534 -36.888 1.00 39.58 ? 201 VAL D CA 1 +ATOM 14440 C C . VAL D 4 191 ? 18.781 -42.690 -35.781 1.00 41.73 ? 201 VAL D C 1 +ATOM 14441 O O . VAL D 4 191 ? 19.524 -43.681 -35.747 1.00 41.97 ? 201 VAL D O 1 +ATOM 14442 C CB . VAL D 4 191 ? 18.225 -41.545 -37.968 1.00 40.50 ? 201 VAL D CB 1 +ATOM 14443 C CG1 . VAL D 4 191 ? 19.656 -41.874 -38.392 1.00 39.38 ? 201 VAL D CG1 1 +ATOM 14444 C CG2 . VAL D 4 191 ? 17.289 -41.561 -39.187 1.00 34.79 ? 201 VAL D CG2 1 +ATOM 14445 N N A ALA D 4 192 ? 18.840 -41.722 -34.852 0.40 41.21 ? 202 ALA D N 1 +ATOM 14446 N N B ALA D 4 192 ? 18.851 -41.720 -34.869 0.60 41.15 ? 202 ALA D N 1 +ATOM 14447 C CA A ALA D 4 192 ? 19.829 -41.805 -33.778 0.40 48.98 ? 202 ALA D CA 1 +ATOM 14448 C CA B ALA D 4 192 ? 19.792 -41.810 -33.757 0.60 49.16 ? 202 ALA D CA 1 +ATOM 14449 C C A ALA D 4 192 ? 19.593 -43.031 -32.917 0.40 47.70 ? 202 ALA D C 1 +ATOM 14450 C C B ALA D 4 192 ? 19.548 -43.060 -32.931 0.60 47.84 ? 202 ALA D C 1 +ATOM 14451 O O A ALA D 4 192 ? 20.548 -43.710 -32.521 0.40 47.68 ? 202 ALA D O 1 +ATOM 14452 O O B ALA D 4 192 ? 20.498 -43.770 -32.578 0.60 47.87 ? 202 ALA D O 1 +ATOM 14453 C CB A ALA D 4 192 ? 19.797 -40.535 -32.918 0.40 39.93 ? 202 ALA D CB 1 +ATOM 14454 C CB B ALA D 4 192 ? 19.693 -40.563 -32.868 0.60 39.68 ? 202 ALA D CB 1 +ATOM 14455 N N A GLY D 4 193 ? 18.324 -43.341 -32.632 0.40 45.03 ? 203 GLY D N 1 +ATOM 14456 N N B GLY D 4 193 ? 18.280 -43.349 -32.620 0.60 45.04 ? 203 GLY D N 1 +ATOM 14457 C CA A GLY D 4 193 ? 18.026 -44.506 -31.811 0.40 38.62 ? 203 GLY D CA 1 +ATOM 14458 C CA B GLY D 4 193 ? 17.971 -44.532 -31.832 0.60 38.53 ? 203 GLY D CA 1 +ATOM 14459 C C A GLY D 4 193 ? 18.365 -45.807 -32.516 0.40 46.85 ? 203 GLY D C 1 +ATOM 14460 C C B GLY D 4 193 ? 18.332 -45.832 -32.537 0.60 47.00 ? 203 GLY D C 1 +ATOM 14461 O O A GLY D 4 193 ? 18.873 -46.750 -31.896 0.40 42.56 ? 203 GLY D O 1 +ATOM 14462 O O B GLY D 4 193 ? 18.815 -46.777 -31.905 0.60 42.46 ? 203 GLY D O 1 +ATOM 14463 N N A VAL D 4 194 ? 18.099 -45.875 -33.821 0.40 42.44 ? 204 VAL D N 1 +ATOM 14464 N N B VAL D 4 194 ? 18.105 -45.902 -33.850 0.60 42.38 ? 204 VAL D N 1 +ATOM 14465 C CA A VAL D 4 194 ? 18.354 -47.105 -34.555 0.40 43.55 ? 204 VAL D CA 1 +ATOM 14466 C CA B VAL D 4 194 ? 18.350 -47.146 -34.570 0.60 43.59 ? 204 VAL D CA 1 +ATOM 14467 C C A VAL D 4 194 ? 19.850 -47.303 -34.756 0.40 43.58 ? 204 VAL D C 1 +ATOM 14468 C C B VAL D 4 194 ? 19.846 -47.358 -34.770 0.60 43.66 ? 204 VAL D C 1 +ATOM 14469 O O A VAL D 4 194 ? 20.374 -48.402 -34.559 0.40 48.94 ? 204 VAL D O 1 +ATOM 14470 O O B VAL D 4 194 ? 20.369 -48.451 -34.534 0.60 49.20 ? 204 VAL D O 1 +ATOM 14471 C CB A VAL D 4 194 ? 17.591 -47.100 -35.892 0.40 43.24 ? 204 VAL D CB 1 +ATOM 14472 C CB B VAL D 4 194 ? 17.586 -47.157 -35.908 0.60 43.36 ? 204 VAL D CB 1 +ATOM 14473 C CG1 A VAL D 4 194 ? 18.135 -48.168 -36.825 0.40 39.60 ? 204 VAL D CG1 1 +ATOM 14474 C CG1 B VAL D 4 194 ? 18.088 -48.281 -36.785 0.60 39.46 ? 204 VAL D CG1 1 +ATOM 14475 C CG2 A VAL D 4 194 ? 16.122 -47.346 -35.635 0.40 42.52 ? 204 VAL D CG2 1 +ATOM 14476 C CG2 B VAL D 4 194 ? 16.095 -47.323 -35.657 0.60 42.53 ? 204 VAL D CG2 1 +ATOM 14477 N N A LEU D 4 195 ? 20.562 -46.250 -35.166 0.40 43.78 ? 205 LEU D N 1 +ATOM 14478 N N B LEU D 4 195 ? 20.556 -46.320 -35.212 0.60 43.84 ? 205 LEU D N 1 +ATOM 14479 C CA A LEU D 4 195 ? 22.001 -46.397 -35.365 0.40 46.24 ? 205 LEU D CA 1 +ATOM 14480 C CA B LEU D 4 195 ? 22.000 -46.434 -35.396 0.60 46.27 ? 205 LEU D CA 1 +ATOM 14481 C C A LEU D 4 195 ? 22.724 -46.518 -34.024 0.40 47.11 ? 205 LEU D C 1 +ATOM 14482 C C B LEU D 4 195 ? 22.721 -46.543 -34.055 0.60 47.23 ? 205 LEU D C 1 +ATOM 14483 O O A LEU D 4 195 ? 23.673 -47.298 -33.892 0.40 44.26 ? 205 LEU D O 1 +ATOM 14484 O O B LEU D 4 195 ? 23.708 -47.277 -33.932 0.60 44.24 ? 205 LEU D O 1 +ATOM 14485 C CB A LEU D 4 195 ? 22.551 -45.227 -36.184 0.40 49.80 ? 205 LEU D CB 1 +ATOM 14486 C CB B LEU D 4 195 ? 22.528 -45.239 -36.189 0.60 49.92 ? 205 LEU D CB 1 +ATOM 14487 C CG A LEU D 4 195 ? 22.098 -45.079 -37.650 0.40 51.55 ? 205 LEU D CG 1 +ATOM 14488 C CG B LEU D 4 195 ? 22.055 -45.080 -37.642 0.60 51.68 ? 205 LEU D CG 1 +ATOM 14489 C CD1 A LEU D 4 195 ? 22.861 -43.930 -38.300 0.40 46.56 ? 205 LEU D CD1 1 +ATOM 14490 C CD1 B LEU D 4 195 ? 22.760 -43.887 -38.304 0.60 46.50 ? 205 LEU D CD1 1 +ATOM 14491 C CD2 A LEU D 4 195 ? 22.263 -46.349 -38.439 0.40 44.86 ? 205 LEU D CD2 1 +ATOM 14492 C CD2 B LEU D 4 195 ? 22.256 -46.366 -38.437 0.60 44.88 ? 205 LEU D CD2 1 +ATOM 14493 N N A GLY D 4 196 ? 22.277 -45.765 -33.012 0.40 42.74 ? 206 GLY D N 1 +ATOM 14494 N N B GLY D 4 196 ? 22.258 -45.796 -33.049 0.60 42.72 ? 206 GLY D N 1 +ATOM 14495 C CA A GLY D 4 196 ? 22.829 -45.928 -31.675 0.40 39.26 ? 206 GLY D CA 1 +ATOM 14496 C CA B GLY D 4 196 ? 22.815 -45.943 -31.716 0.60 39.09 ? 206 GLY D CA 1 +ATOM 14497 C C A GLY D 4 196 ? 22.569 -47.310 -31.113 0.40 47.81 ? 206 GLY D C 1 +ATOM 14498 C C B GLY D 4 196 ? 22.585 -47.331 -31.151 0.60 48.07 ? 206 GLY D C 1 +ATOM 14499 O O A GLY D 4 196 ? 23.424 -47.879 -30.425 0.40 48.11 ? 206 GLY D O 1 +ATOM 14500 O O B GLY D 4 196 ? 23.468 -47.901 -30.505 0.60 48.37 ? 206 GLY D O 1 +ATOM 14501 N N A GLY D 4 197 ? 21.405 -47.884 -31.427 0.40 44.40 ? 207 GLY D N 1 +ATOM 14502 N N B GLY D 4 197 ? 21.407 -47.906 -31.413 0.60 44.51 ? 207 GLY D N 1 +ATOM 14503 C CA A GLY D 4 197 ? 21.120 -49.249 -31.006 0.40 42.46 ? 207 GLY D CA 1 +ATOM 14504 C CA B GLY D 4 197 ? 21.140 -49.267 -30.975 0.60 42.41 ? 207 GLY D CA 1 +ATOM 14505 C C A GLY D 4 197 ? 22.022 -50.274 -31.674 0.40 47.29 ? 207 GLY D C 1 +ATOM 14506 C C B GLY D 4 197 ? 22.028 -50.294 -31.660 0.60 47.45 ? 207 GLY D C 1 +ATOM 14507 O O A GLY D 4 197 ? 22.561 -51.172 -31.013 0.40 47.20 ? 207 GLY D O 1 +ATOM 14508 O O B GLY D 4 197 ? 22.523 -51.228 -31.017 0.60 47.38 ? 207 GLY D O 1 +ATOM 14509 N N A ALA D 4 198 ? 22.186 -50.166 -32.994 0.40 41.45 ? 208 ALA D N 1 +ATOM 14510 N N B ALA D 4 198 ? 22.247 -50.141 -32.970 0.60 41.35 ? 208 ALA D N 1 +ATOM 14511 C CA A ALA D 4 198 ? 23.137 -51.027 -33.692 0.40 47.10 ? 208 ALA D CA 1 +ATOM 14512 C CA B ALA D 4 198 ? 23.171 -51.034 -33.665 0.60 47.21 ? 208 ALA D CA 1 +ATOM 14513 C C A ALA D 4 198 ? 24.537 -50.868 -33.113 0.40 45.27 ? 208 ALA D C 1 +ATOM 14514 C C B ALA D 4 198 ? 24.590 -50.879 -33.127 0.60 45.24 ? 208 ALA D C 1 +ATOM 14515 O O A ALA D 4 198 ? 25.257 -51.857 -32.924 0.40 46.89 ? 208 ALA D O 1 +ATOM 14516 O O B ALA D 4 198 ? 25.301 -51.873 -32.934 0.60 47.07 ? 208 ALA D O 1 +ATOM 14517 C CB A ALA D 4 198 ? 23.141 -50.720 -35.196 0.40 39.50 ? 208 ALA D CB 1 +ATOM 14518 C CB B ALA D 4 198 ? 23.125 -50.777 -35.173 0.60 39.38 ? 208 ALA D CB 1 +ATOM 14519 N N A LEU D 4 199 ? 24.931 -49.628 -32.814 0.40 44.52 ? 209 LEU D N 1 +ATOM 14520 N N B LEU D 4 199 ? 25.005 -49.638 -32.851 0.60 44.46 ? 209 LEU D N 1 +ATOM 14521 C CA A LEU D 4 199 ? 26.242 -49.383 -32.226 0.40 42.91 ? 209 LEU D CA 1 +ATOM 14522 C CA B LEU D 4 199 ? 26.303 -49.382 -32.234 0.60 42.89 ? 209 LEU D CA 1 +ATOM 14523 C C A LEU D 4 199 ? 26.367 -50.086 -30.876 0.40 47.54 ? 209 LEU D C 1 +ATOM 14524 C C B LEU D 4 199 ? 26.442 -50.107 -30.897 0.60 47.70 ? 209 LEU D C 1 +ATOM 14525 O O A LEU D 4 199 ? 27.362 -50.770 -30.607 0.40 47.32 ? 209 LEU D O 1 +ATOM 14526 O O B LEU D 4 199 ? 27.465 -50.747 -30.626 0.60 47.40 ? 209 LEU D O 1 +ATOM 14527 C CB A LEU D 4 199 ? 26.474 -47.876 -32.103 0.40 39.06 ? 209 LEU D CB 1 +ATOM 14528 C CB B LEU D 4 199 ? 26.491 -47.876 -32.045 0.60 38.94 ? 209 LEU D CB 1 +ATOM 14529 C CG A LEU D 4 199 ? 27.772 -47.298 -31.520 0.40 43.21 ? 209 LEU D CG 1 +ATOM 14530 C CG B LEU D 4 199 ? 27.819 -47.318 -31.515 0.60 43.21 ? 209 LEU D CG 1 +ATOM 14531 C CD1 A LEU D 4 199 ? 27.864 -45.800 -31.834 0.40 40.77 ? 209 LEU D CD1 1 +ATOM 14532 C CD1 B LEU D 4 199 ? 27.957 -45.821 -31.891 0.60 40.70 ? 209 LEU D CD1 1 +ATOM 14533 C CD2 A LEU D 4 199 ? 27.877 -47.517 -29.981 0.40 43.73 ? 209 LEU D CD2 1 +ATOM 14534 C CD2 B LEU D 4 199 ? 27.941 -47.489 -29.995 0.60 43.83 ? 209 LEU D CD2 1 +ATOM 14535 N N A LEU D 4 200 ? 25.362 -49.926 -30.012 0.40 43.06 ? 210 LEU D N 1 +ATOM 14536 N N B LEU D 4 200 ? 25.438 -49.973 -30.029 0.60 42.88 ? 210 LEU D N 1 +ATOM 14537 C CA A LEU D 4 200 ? 25.422 -50.546 -28.694 0.40 42.22 ? 210 LEU D CA 1 +ATOM 14538 C CA B LEU D 4 200 ? 25.517 -50.572 -28.702 0.60 42.11 ? 210 LEU D CA 1 +ATOM 14539 C C A LEU D 4 200 ? 25.467 -52.057 -28.810 0.40 49.82 ? 210 LEU D C 1 +ATOM 14540 C C B LEU D 4 200 ? 25.557 -52.087 -28.801 0.60 50.01 ? 210 LEU D C 1 +ATOM 14541 O O A LEU D 4 200 ? 26.203 -52.721 -28.070 0.40 47.32 ? 210 LEU D O 1 +ATOM 14542 O O B LEU D 4 200 ? 26.330 -52.746 -28.097 0.60 47.20 ? 210 LEU D O 1 +ATOM 14543 C CB A LEU D 4 200 ? 24.224 -50.117 -27.850 0.40 43.45 ? 210 LEU D CB 1 +ATOM 14544 C CB B LEU D 4 200 ? 24.331 -50.123 -27.848 0.60 43.38 ? 210 LEU D CB 1 +ATOM 14545 C CG A LEU D 4 200 ? 24.274 -48.707 -27.245 0.40 46.98 ? 210 LEU D CG 1 +ATOM 14546 C CG B LEU D 4 200 ? 24.365 -48.748 -27.181 0.60 47.20 ? 210 LEU D CG 1 +ATOM 14547 C CD1 A LEU D 4 200 ? 22.890 -48.327 -26.718 0.40 44.69 ? 210 LEU D CD1 1 +ATOM 14548 C CD1 B LEU D 4 200 ? 22.962 -48.347 -26.734 0.60 44.79 ? 210 LEU D CD1 1 +ATOM 14549 C CD2 A LEU D 4 200 ? 25.311 -48.662 -26.114 0.40 47.35 ? 210 LEU D CD2 1 +ATOM 14550 C CD2 B LEU D 4 200 ? 25.290 -48.812 -25.974 0.60 47.01 ? 210 LEU D CD2 1 +ATOM 14551 N N A CYS D 4 201 ? 24.684 -52.616 -29.741 0.40 46.20 ? 211 CYS D N 1 +ATOM 14552 N N B CYS D 4 201 ? 24.735 -52.648 -29.692 0.60 46.31 ? 211 CYS D N 1 +ATOM 14553 C CA A CYS D 4 201 ? 24.694 -54.056 -29.962 0.40 48.23 ? 211 CYS D CA 1 +ATOM 14554 C CA B CYS D 4 201 ? 24.767 -54.076 -29.971 0.60 48.33 ? 211 CYS D CA 1 +ATOM 14555 C C A CYS D 4 201 ? 26.103 -54.549 -30.287 0.40 47.93 ? 211 CYS D C 1 +ATOM 14556 C C B CYS D 4 201 ? 26.172 -54.540 -30.342 0.60 48.01 ? 211 CYS D C 1 +ATOM 14557 O O A CYS D 4 201 ? 26.616 -55.487 -29.658 0.40 47.95 ? 211 CYS D O 1 +ATOM 14558 O O B CYS D 4 201 ? 26.692 -55.507 -29.780 0.60 47.79 ? 211 CYS D O 1 +ATOM 14559 C CB A CYS D 4 201 ? 23.720 -54.395 -31.098 0.40 45.40 ? 211 CYS D CB 1 +ATOM 14560 C CB B CYS D 4 201 ? 23.786 -54.389 -31.105 0.60 45.42 ? 211 CYS D CB 1 +ATOM 14561 S SG A CYS D 4 201 ? 23.427 -56.151 -31.368 0.40 48.03 ? 211 CYS D SG 1 +ATOM 14562 S SG B CYS D 4 201 ? 23.523 -56.146 -31.376 0.60 47.79 ? 211 CYS D SG 1 +ATOM 14563 N N A ALA D 4 202 ? 26.740 -53.926 -31.279 0.40 48.82 ? 212 ALA D N 1 +ATOM 14564 N N B ALA D 4 202 ? 26.795 -53.866 -31.309 0.60 48.93 ? 212 ALA D N 1 +ATOM 14565 C CA A ALA D 4 202 ? 28.069 -54.350 -31.704 0.40 44.82 ? 212 ALA D CA 1 +ATOM 14566 C CA B ALA D 4 202 ? 28.112 -54.286 -31.770 0.60 44.82 ? 212 ALA D CA 1 +ATOM 14567 C C A ALA D 4 202 ? 29.088 -54.153 -30.591 0.40 47.50 ? 212 ALA D C 1 +ATOM 14568 C C B ALA D 4 202 ? 29.146 -54.143 -30.664 0.60 47.57 ? 212 ALA D C 1 +ATOM 14569 O O A ALA D 4 202 ? 29.894 -55.047 -30.308 0.40 49.01 ? 212 ALA D O 1 +ATOM 14570 O O B ALA D 4 202 ? 29.981 -55.032 -30.463 0.60 49.36 ? 212 ALA D O 1 +ATOM 14571 C CB A ALA D 4 202 ? 28.491 -53.573 -32.950 0.40 40.95 ? 212 ALA D CB 1 +ATOM 14572 C CB B ALA D 4 202 ? 28.526 -53.465 -32.991 0.60 40.65 ? 212 ALA D CB 1 +ATOM 14573 N N A ILE D 4 203 ? 29.041 -53.003 -29.916 0.40 44.83 ? 213 ILE D N 1 +ATOM 14574 N N B ILE D 4 203 ? 29.096 -53.038 -29.928 0.60 44.72 ? 213 ILE D N 1 +ATOM 14575 C CA A ILE D 4 203 ? 30.108 -52.686 -28.973 0.40 54.09 ? 213 ILE D CA 1 +ATOM 14576 C CA B ILE D 4 203 ? 30.190 -52.716 -29.023 0.60 54.28 ? 213 ILE D CA 1 +ATOM 14577 C C A ILE D 4 203 ? 29.967 -53.506 -27.698 0.40 49.46 ? 213 ILE D C 1 +ATOM 14578 C C B ILE D 4 203 ? 30.097 -53.543 -27.750 0.60 49.39 ? 213 ILE D C 1 +ATOM 14579 O O A ILE D 4 203 ? 30.973 -53.897 -27.085 0.40 45.36 ? 213 ILE D O 1 +ATOM 14580 O O B ILE D 4 203 ? 31.121 -53.940 -27.183 0.60 44.90 ? 213 ILE D O 1 +ATOM 14581 C CB A ILE D 4 203 ? 30.142 -51.164 -28.702 0.40 49.41 ? 213 ILE D CB 1 +ATOM 14582 C CB B ILE D 4 203 ? 30.216 -51.197 -28.733 0.60 49.49 ? 213 ILE D CB 1 +ATOM 14583 C CG1 A ILE D 4 203 ? 31.528 -50.729 -28.233 0.40 50.84 ? 213 ILE D CG1 1 +ATOM 14584 C CG1 B ILE D 4 203 ? 31.564 -50.781 -28.140 0.60 50.86 ? 213 ILE D CG1 1 +ATOM 14585 C CG2 A ILE D 4 203 ? 29.109 -50.738 -27.655 0.40 47.87 ? 213 ILE D CG2 1 +ATOM 14586 C CG2 B ILE D 4 203 ? 29.070 -50.785 -27.808 0.60 47.93 ? 213 ILE D CG2 1 +ATOM 14587 C CD1 A ILE D 4 203 ? 31.680 -49.203 -28.170 0.40 47.69 ? 213 ILE D CD1 1 +ATOM 14588 C CD1 B ILE D 4 203 ? 31.743 -49.259 -28.045 0.60 47.96 ? 213 ILE D CD1 1 +ATOM 14589 N N A HIS D 4 204 ? 28.734 -53.780 -27.268 0.40 47.56 ? 214 HIS D N 1 +ATOM 14590 N N B HIS D 4 204 ? 28.877 -53.818 -27.283 0.60 47.85 ? 214 HIS D N 1 +ATOM 14591 C CA A HIS D 4 204 ? 28.553 -54.622 -26.094 0.40 46.55 ? 214 HIS D CA 1 +ATOM 14592 C CA B HIS D 4 204 ? 28.718 -54.655 -26.101 0.60 46.64 ? 214 HIS D CA 1 +ATOM 14593 C C A HIS D 4 204 ? 29.008 -56.045 -26.387 0.40 52.26 ? 214 HIS D C 1 +ATOM 14594 C C B HIS D 4 204 ? 29.097 -56.097 -26.412 0.60 52.49 ? 214 HIS D C 1 +ATOM 14595 O O A HIS D 4 204 ? 29.761 -56.641 -25.604 0.40 48.59 ? 214 HIS D O 1 +ATOM 14596 O O B HIS D 4 204 ? 29.816 -56.738 -25.636 0.60 48.58 ? 214 HIS D O 1 +ATOM 14597 C CB A HIS D 4 204 ? 27.096 -54.617 -25.646 0.40 43.36 ? 214 HIS D CB 1 +ATOM 14598 C CB B HIS D 4 204 ? 27.285 -54.578 -25.574 0.60 43.24 ? 214 HIS D CB 1 +ATOM 14599 C CG A HIS D 4 204 ? 26.836 -55.507 -24.475 0.40 51.98 ? 214 HIS D CG 1 +ATOM 14600 C CG B HIS D 4 204 ? 27.032 -55.478 -24.402 0.60 52.29 ? 214 HIS D CG 1 +ATOM 14601 N ND1 A HIS D 4 204 ? 27.571 -55.430 -23.308 0.40 44.38 ? 214 HIS D ND1 1 +ATOM 14602 N ND1 B HIS D 4 204 ? 27.772 -55.412 -23.240 0.60 43.41 ? 214 HIS D ND1 1 +ATOM 14603 C CD2 A HIS D 4 204 ? 25.930 -56.497 -24.288 0.40 43.95 ? 214 HIS D CD2 1 +ATOM 14604 C CD2 B HIS D 4 204 ? 26.130 -56.473 -24.218 0.60 44.11 ? 214 HIS D CD2 1 +ATOM 14605 C CE1 A HIS D 4 204 ? 27.120 -56.325 -22.450 0.40 46.32 ? 214 HIS D CE1 1 +ATOM 14606 C CE1 B HIS D 4 204 ? 27.327 -56.315 -22.387 0.60 46.29 ? 214 HIS D CE1 1 +ATOM 14607 N NE2 A HIS D 4 204 ? 26.132 -56.991 -23.022 0.40 51.74 ? 214 HIS D NE2 1 +ATOM 14608 N NE2 B HIS D 4 204 ? 26.335 -56.975 -22.957 0.60 51.47 ? 214 HIS D NE2 1 +ATOM 14609 N N A GLY D 4 205 ? 28.574 -56.593 -27.528 0.40 44.71 ? 215 GLY D N 1 +ATOM 14610 N N B GLY D 4 205 ? 28.640 -56.614 -27.558 0.60 44.71 ? 215 GLY D N 1 +ATOM 14611 C CA A GLY D 4 205 ? 28.960 -57.950 -27.887 0.40 45.90 ? 215 GLY D CA 1 +ATOM 14612 C CA B GLY D 4 205 ? 29.014 -57.964 -27.948 0.60 45.90 ? 215 GLY D CA 1 +ATOM 14613 C C A GLY D 4 205 ? 30.462 -58.110 -28.031 0.40 51.55 ? 215 GLY D C 1 +ATOM 14614 C C B GLY D 4 205 ? 30.512 -58.123 -28.137 0.60 51.73 ? 215 GLY D C 1 +ATOM 14615 O O A GLY D 4 205 ? 31.054 -59.048 -27.492 0.40 48.12 ? 215 GLY D O 1 +ATOM 14616 O O B GLY D 4 205 ? 31.098 -59.118 -27.710 0.60 48.29 ? 215 GLY D O 1 +ATOM 14617 N N A ALA D 4 206 ? 31.100 -57.183 -28.747 0.40 46.56 ? 216 ALA D N 1 +ATOM 14618 N N B ALA D 4 206 ? 31.155 -57.136 -28.764 0.60 46.49 ? 216 ALA D N 1 +ATOM 14619 C CA A ALA D 4 206 ? 32.546 -57.238 -28.925 0.40 44.69 ? 216 ALA D CA 1 +ATOM 14620 C CA B ALA D 4 206 ? 32.599 -57.203 -28.952 0.60 44.69 ? 216 ALA D CA 1 +ATOM 14621 C C A ALA D 4 206 ? 33.299 -57.066 -27.604 0.40 54.00 ? 216 ALA D C 1 +ATOM 14622 C C B ALA D 4 206 ? 33.343 -57.083 -27.625 0.60 54.30 ? 216 ALA D C 1 +ATOM 14623 O O A ALA D 4 206 ? 34.343 -57.698 -27.401 0.40 47.42 ? 216 ALA D O 1 +ATOM 14624 O O B ALA D 4 206 ? 34.360 -57.759 -27.418 0.60 47.44 ? 216 ALA D O 1 +ATOM 14625 C CB A ALA D 4 206 ? 32.986 -56.168 -29.924 0.40 42.56 ? 216 ALA D CB 1 +ATOM 14626 C CB B ALA D 4 206 ? 33.052 -56.108 -29.918 0.60 42.41 ? 216 ALA D CB 1 +ATOM 14627 N N A THR D 4 207 ? 32.810 -56.189 -26.715 0.40 44.87 ? 217 THR D N 1 +ATOM 14628 N N B THR D 4 207 ? 32.866 -56.211 -26.725 0.60 44.74 ? 217 THR D N 1 +ATOM 14629 C CA A THR D 4 207 ? 33.473 -55.983 -25.423 0.40 49.86 ? 217 THR D CA 1 +ATOM 14630 C CA B THR D 4 207 ? 33.556 -55.988 -25.456 0.60 49.85 ? 217 THR D CA 1 +ATOM 14631 C C A THR D 4 207 ? 33.468 -57.261 -24.593 0.40 53.34 ? 217 THR D C 1 +ATOM 14632 C C B THR D 4 207 ? 33.519 -57.236 -24.583 0.60 53.54 ? 217 THR D C 1 +ATOM 14633 O O A THR D 4 207 ? 34.488 -57.635 -23.993 0.40 50.45 ? 217 THR D O 1 +ATOM 14634 O O B THR D 4 207 ? 34.545 -57.647 -24.024 0.60 50.49 ? 217 THR D O 1 +ATOM 14635 C CB A THR D 4 207 ? 32.795 -54.849 -24.629 0.40 48.90 ? 217 THR D CB 1 +ATOM 14636 C CB B THR D 4 207 ? 32.934 -54.797 -24.708 0.60 49.12 ? 217 THR D CB 1 +ATOM 14637 O OG1 A THR D 4 207 ? 32.970 -53.604 -25.305 0.40 51.47 ? 217 THR D OG1 1 +ATOM 14638 O OG1 B THR D 4 207 ? 33.146 -53.592 -25.451 0.60 52.32 ? 217 THR D OG1 1 +ATOM 14639 C CG2 A THR D 4 207 ? 33.393 -54.727 -23.249 0.40 43.97 ? 217 THR D CG2 1 +ATOM 14640 C CG2 B THR D 4 207 ? 33.549 -54.638 -23.343 0.60 43.77 ? 217 THR D CG2 1 +ATOM 14641 N N A VAL D 4 208 ? 32.312 -57.922 -24.518 0.40 46.64 ? 218 VAL D N 1 +ATOM 14642 N N B VAL D 4 208 ? 32.337 -57.837 -24.435 0.60 46.62 ? 218 VAL D N 1 +ATOM 14643 C CA A VAL D 4 208 ? 32.207 -59.153 -23.743 0.40 47.55 ? 218 VAL D CA 1 +ATOM 14644 C CA B VAL D 4 208 ? 32.223 -59.095 -23.702 0.60 47.42 ? 218 VAL D CA 1 +ATOM 14645 C C A VAL D 4 208 ? 33.156 -60.212 -24.300 0.40 53.65 ? 218 VAL D C 1 +ATOM 14646 C C B VAL D 4 208 ? 33.180 -60.135 -24.281 0.60 53.88 ? 218 VAL D C 1 +ATOM 14647 O O A VAL D 4 208 ? 33.969 -60.793 -23.572 0.40 50.33 ? 218 VAL D O 1 +ATOM 14648 O O B VAL D 4 208 ? 33.969 -60.755 -23.559 0.60 50.38 ? 218 VAL D O 1 +ATOM 14649 C CB A VAL D 4 208 ? 30.746 -59.640 -23.725 0.40 48.44 ? 218 VAL D CB 1 +ATOM 14650 C CB B VAL D 4 208 ? 30.765 -59.595 -23.726 0.60 48.46 ? 218 VAL D CB 1 +ATOM 14651 C CG1 A VAL D 4 208 ? 30.669 -61.094 -23.248 0.40 46.33 ? 218 VAL D CG1 1 +ATOM 14652 C CG1 B VAL D 4 208 ? 30.700 -61.061 -23.329 0.60 46.23 ? 218 VAL D CG1 1 +ATOM 14653 C CG2 A VAL D 4 208 ? 29.896 -58.726 -22.821 0.40 45.82 ? 218 VAL D CG2 1 +ATOM 14654 C CG2 B VAL D 4 208 ? 29.888 -58.739 -22.815 0.60 45.75 ? 218 VAL D CG2 1 +ATOM 14655 N N A GLU D 4 209 ? 33.109 -60.430 -25.616 0.40 46.19 ? 219 GLU D N 1 +ATOM 14656 N N B GLU D 4 209 ? 33.155 -60.305 -25.601 0.60 46.07 ? 219 GLU D N 1 +ATOM 14657 C CA A GLU D 4 209 ? 33.941 -61.441 -26.250 0.40 51.90 ? 219 GLU D CA 1 +ATOM 14658 C CA B GLU D 4 209 ? 33.949 -61.345 -26.243 0.60 51.95 ? 219 GLU D CA 1 +ATOM 14659 C C A GLU D 4 209 ? 35.438 -61.156 -26.141 0.40 51.89 ? 219 GLU D C 1 +ATOM 14660 C C B GLU D 4 209 ? 35.454 -61.118 -26.129 0.60 51.90 ? 219 GLU D C 1 +ATOM 14661 O O A GLU D 4 209 ? 36.247 -62.066 -26.363 0.40 53.07 ? 219 GLU D O 1 +ATOM 14662 O O B GLU D 4 209 ? 36.224 -62.063 -26.325 0.60 53.23 ? 219 GLU D O 1 +ATOM 14663 C CB A GLU D 4 209 ? 33.531 -61.577 -27.716 0.40 49.31 ? 219 GLU D CB 1 +ATOM 14664 C CB B GLU D 4 209 ? 33.550 -61.460 -27.714 0.60 49.16 ? 219 GLU D CB 1 +ATOM 14665 C CG A GLU D 4 209 ? 32.256 -62.352 -27.866 0.40 55.36 ? 219 GLU D CG 1 +ATOM 14666 C CG B GLU D 4 209 ? 32.308 -62.295 -27.922 0.60 55.46 ? 219 GLU D CG 1 +ATOM 14667 C CD A GLU D 4 209 ? 32.447 -63.791 -27.431 0.40 59.05 ? 219 GLU D CD 1 +ATOM 14668 C CD B GLU D 4 209 ? 32.555 -63.754 -27.598 0.60 59.61 ? 219 GLU D CD 1 +ATOM 14669 O OE1 A GLU D 4 209 ? 33.108 -64.541 -28.177 0.40 58.81 ? 219 GLU D OE1 1 +ATOM 14670 O OE1 B GLU D 4 209 ? 33.413 -64.377 -28.260 0.60 58.62 ? 219 GLU D OE1 1 +ATOM 14671 O OE2 A GLU D 4 209 ? 31.971 -64.151 -26.335 0.40 56.17 ? 219 GLU D OE2 1 +ATOM 14672 O OE2 B GLU D 4 209 ? 31.912 -64.266 -26.660 0.60 56.88 ? 219 GLU D OE2 1 +ATOM 14673 N N A ASN D 4 210 ? 35.838 -59.932 -25.810 0.40 49.33 ? 220 ASN D N 1 +ATOM 14674 N N B ASN D 4 210 ? 35.900 -59.902 -25.826 0.60 49.35 ? 220 ASN D N 1 +ATOM 14675 C CA A ASN D 4 210 ? 37.260 -59.610 -25.720 0.40 50.82 ? 220 ASN D CA 1 +ATOM 14676 C CA B ASN D 4 210 ? 37.326 -59.614 -25.750 0.60 50.82 ? 220 ASN D CA 1 +ATOM 14677 C C A ASN D 4 210 ? 37.690 -59.237 -24.304 0.40 52.53 ? 220 ASN D C 1 +ATOM 14678 C C B ASN D 4 210 ? 37.779 -59.280 -24.334 0.60 52.67 ? 220 ASN D C 1 +ATOM 14679 O O A ASN D 4 210 ? 38.809 -58.753 -24.111 0.40 52.25 ? 220 ASN D O 1 +ATOM 14680 O O B ASN D 4 210 ? 38.916 -58.835 -24.139 0.60 52.47 ? 220 ASN D O 1 +ATOM 14681 C CB A ASN D 4 210 ? 37.616 -58.506 -26.724 0.40 50.42 ? 220 ASN D CB 1 +ATOM 14682 C CB B ASN D 4 210 ? 37.682 -58.497 -26.730 0.60 50.42 ? 220 ASN D CB 1 +ATOM 14683 C CG A ASN D 4 210 ? 37.580 -59.010 -28.165 0.40 57.16 ? 220 ASN D CG 1 +ATOM 14684 C CG B ASN D 4 210 ? 37.623 -58.970 -28.177 0.60 57.47 ? 220 ASN D CG 1 +ATOM 14685 O OD1 A ASN D 4 210 ? 38.587 -59.506 -28.688 0.40 54.46 ? 220 ASN D OD1 1 +ATOM 14686 O OD1 B ASN D 4 210 ? 38.630 -59.423 -28.732 0.60 54.77 ? 220 ASN D OD1 1 +ATOM 14687 N ND2 A ASN D 4 210 ? 36.407 -58.914 -28.803 0.40 48.43 ? 220 ASN D ND2 1 +ATOM 14688 N ND2 B ASN D 4 210 ? 36.436 -58.900 -28.783 0.60 48.44 ? 220 ASN D ND2 1 +ATOM 14689 N N A THR D 4 211 ? 36.844 -59.487 -23.303 0.40 45.46 ? 221 THR D N 1 +ATOM 14690 N N B THR D 4 211 ? 36.918 -59.506 -23.338 0.60 45.24 ? 221 THR D N 1 +ATOM 14691 C CA A THR D 4 211 ? 37.242 -59.388 -21.905 0.40 55.58 ? 221 THR D CA 1 +ATOM 14692 C CA B THR D 4 211 ? 37.283 -59.409 -21.932 0.60 55.71 ? 221 THR D CA 1 +ATOM 14693 C C A THR D 4 211 ? 36.894 -60.676 -21.160 0.40 51.70 ? 221 THR D C 1 +ATOM 14694 C C B THR D 4 211 ? 36.919 -60.694 -21.197 0.60 51.68 ? 221 THR D C 1 +ATOM 14695 O O A THR D 4 211 ? 36.771 -60.671 -19.925 0.40 51.73 ? 221 THR D O 1 +ATOM 14696 O O B THR D 4 211 ? 36.708 -60.673 -19.977 0.60 51.78 ? 221 THR D O 1 +ATOM 14697 C CB A THR D 4 211 ? 36.608 -58.164 -21.224 0.40 49.38 ? 221 THR D CB 1 +ATOM 14698 C CB B THR D 4 211 ? 36.614 -58.203 -21.257 0.60 49.39 ? 221 THR D CB 1 +ATOM 14699 O OG1 A THR D 4 211 ? 35.178 -58.236 -21.303 0.40 49.83 ? 221 THR D OG1 1 +ATOM 14700 O OG1 B THR D 4 211 ? 35.190 -58.311 -21.380 0.60 49.75 ? 221 THR D OG1 1 +ATOM 14701 C CG2 A THR D 4 211 ? 37.105 -56.861 -21.879 0.40 46.90 ? 221 THR D CG2 1 +ATOM 14702 C CG2 B THR D 4 211 ? 37.094 -56.900 -21.885 0.60 46.84 ? 221 THR D CG2 1 +ATOM 14703 N N A LEU D 4 212 ? 36.735 -61.769 -21.907 0.40 50.81 ? 222 LEU D N 1 +ATOM 14704 N N B LEU D 4 212 ? 36.825 -61.799 -21.930 0.60 50.87 ? 222 LEU D N 1 +ATOM 14705 C CA A LEU D 4 212 ? 36.428 -63.077 -21.342 0.40 56.88 ? 222 LEU D CA 1 +ATOM 14706 C CA B LEU D 4 212 ? 36.472 -63.085 -21.350 0.60 57.12 ? 222 LEU D CA 1 +ATOM 14707 C C A LEU D 4 212 ? 37.498 -63.529 -20.358 0.40 56.80 ? 222 LEU D C 1 +ATOM 14708 C C B LEU D 4 212 ? 37.542 -63.559 -20.372 0.60 57.00 ? 222 LEU D C 1 +ATOM 14709 O O A LEU D 4 212 ? 38.694 -63.295 -20.555 0.40 51.37 ? 222 LEU D O 1 +ATOM 14710 O O B LEU D 4 212 ? 38.740 -63.332 -20.566 0.60 51.31 ? 222 LEU D O 1 +ATOM 14711 C CB A LEU D 4 212 ? 36.314 -64.116 -22.460 0.40 53.03 ? 222 LEU D CB 1 +ATOM 14712 C CB B LEU D 4 212 ? 36.294 -64.126 -22.458 0.60 53.07 ? 222 LEU D CB 1 +ATOM 14713 C CG A LEU D 4 212 ? 35.186 -63.977 -23.481 0.40 52.26 ? 222 LEU D CG 1 +ATOM 14714 C CG B LEU D 4 212 ? 35.171 -63.907 -23.477 0.60 52.20 ? 222 LEU D CG 1 +ATOM 14715 C CD1 A LEU D 4 212 ? 35.302 -65.068 -24.506 0.40 51.43 ? 222 LEU D CD1 1 +ATOM 14716 C CD1 B LEU D 4 212 ? 35.243 -64.971 -24.548 0.60 51.24 ? 222 LEU D CD1 1 +ATOM 14717 C CD2 A LEU D 4 212 ? 33.825 -64.025 -22.804 0.40 52.77 ? 222 LEU D CD2 1 +ATOM 14718 C CD2 B LEU D 4 212 ? 33.803 -63.935 -22.802 0.60 52.68 ? 222 LEU D CD2 1 +ATOM 14719 N N A PHE D 4 213 ? 37.058 -64.212 -19.312 0.40 48.46 ? 223 PHE D N 1 +ATOM 14720 N N B PHE D 4 213 ? 37.099 -64.221 -19.315 0.60 48.39 ? 223 PHE D N 1 +ATOM 14721 C CA A PHE D 4 213 ? 37.975 -64.948 -18.456 0.40 57.01 ? 223 PHE D CA 1 +ATOM 14722 C CA B PHE D 4 213 ? 38.011 -64.971 -18.466 0.60 57.12 ? 223 PHE D CA 1 +ATOM 14723 C C A PHE D 4 213 ? 38.359 -66.269 -19.107 0.40 56.78 ? 223 PHE D C 1 +ATOM 14724 C C B PHE D 4 213 ? 38.392 -66.282 -19.134 0.60 56.94 ? 223 PHE D C 1 +ATOM 14725 O O A PHE D 4 213 ? 37.547 -66.900 -19.794 0.40 55.30 ? 223 PHE D O 1 +ATOM 14726 O O B PHE D 4 213 ? 37.585 -66.893 -19.847 0.60 55.24 ? 223 PHE D O 1 +ATOM 14727 C CB A PHE D 4 213 ? 37.343 -65.204 -17.089 0.40 46.46 ? 223 PHE D CB 1 +ATOM 14728 C CB B PHE D 4 213 ? 37.374 -65.240 -17.108 0.60 46.20 ? 223 PHE D CB 1 +ATOM 14729 C CG A PHE D 4 213 ? 37.260 -63.978 -16.233 0.40 52.22 ? 223 PHE D CG 1 +ATOM 14730 C CG B PHE D 4 213 ? 37.253 -64.023 -16.265 0.60 52.25 ? 223 PHE D CG 1 +ATOM 14731 C CD1 A PHE D 4 213 ? 38.412 -63.347 -15.806 0.40 48.73 ? 223 PHE D CD1 1 +ATOM 14732 C CD1 B PHE D 4 213 ? 38.392 -63.372 -15.813 0.60 48.65 ? 223 PHE D CD1 1 +ATOM 14733 C CD2 A PHE D 4 213 ? 36.025 -63.453 -15.860 0.40 51.58 ? 223 PHE D CD2 1 +ATOM 14734 C CD2 B PHE D 4 213 ? 36.008 -63.504 -15.937 0.60 51.63 ? 223 PHE D CD2 1 +ATOM 14735 C CE1 A PHE D 4 213 ? 38.345 -62.208 -14.999 0.40 51.84 ? 223 PHE D CE1 1 +ATOM 14736 C CE1 B PHE D 4 213 ? 38.296 -62.249 -15.027 0.60 51.83 ? 223 PHE D CE1 1 +ATOM 14737 C CE2 A PHE D 4 213 ? 35.945 -62.325 -15.061 0.40 52.76 ? 223 PHE D CE2 1 +ATOM 14738 C CE2 B PHE D 4 213 ? 35.904 -62.378 -15.160 0.60 52.52 ? 223 PHE D CE2 1 +ATOM 14739 C CZ A PHE D 4 213 ? 37.108 -61.700 -14.622 0.40 51.84 ? 223 PHE D CZ 1 +ATOM 14740 C CZ B PHE D 4 213 ? 37.052 -61.745 -14.697 0.60 51.99 ? 223 PHE D CZ 1 +ATOM 14741 N N A GLN D 4 214 ? 39.611 -66.683 -18.908 0.40 54.78 ? 224 GLN D N 1 +ATOM 14742 N N B GLN D 4 214 ? 39.639 -66.700 -18.933 0.60 54.87 ? 224 GLN D N 1 +ATOM 14743 C CA A GLN D 4 214 ? 40.038 -67.986 -19.412 0.40 58.43 ? 224 GLN D CA 1 +ATOM 14744 C CA B GLN D 4 214 ? 40.058 -68.013 -19.417 0.60 58.45 ? 224 GLN D CA 1 +ATOM 14745 C C A GLN D 4 214 ? 39.489 -69.039 -18.462 0.40 58.19 ? 224 GLN D C 1 +ATOM 14746 C C B GLN D 4 214 ? 39.506 -69.046 -18.450 0.60 58.17 ? 224 GLN D C 1 +ATOM 14747 O O A GLN D 4 214 ? 40.034 -69.253 -17.381 0.40 58.19 ? 224 GLN D O 1 +ATOM 14748 O O B GLN D 4 214 ? 40.044 -69.239 -17.362 0.60 58.15 ? 224 GLN D O 1 +ATOM 14749 C CB A GLN D 4 214 ? 41.552 -68.091 -19.525 0.40 62.53 ? 224 GLN D CB 1 +ATOM 14750 C CB B GLN D 4 214 ? 41.572 -68.122 -19.531 0.60 62.64 ? 224 GLN D CB 1 +ATOM 14751 C CG A GLN D 4 214 ? 41.949 -69.498 -19.973 0.40 68.85 ? 224 GLN D CG 1 +ATOM 14752 C CG B GLN D 4 214 ? 41.995 -69.541 -19.889 0.60 69.08 ? 224 GLN D CG 1 +ATOM 14753 C CD A GLN D 4 214 ? 43.401 -69.648 -20.393 0.40 72.94 ? 224 GLN D CD 1 +ATOM 14754 C CD B GLN D 4 214 ? 43.417 -69.653 -20.392 0.60 73.05 ? 224 GLN D CD 1 +ATOM 14755 O OE1 A GLN D 4 214 ? 44.214 -68.736 -20.232 0.40 73.71 ? 224 GLN D OE1 1 +ATOM 14756 O OE1 B GLN D 4 214 ? 44.235 -68.759 -20.192 0.60 73.84 ? 224 GLN D OE1 1 +ATOM 14757 N NE2 A GLN D 4 214 ? 43.733 -70.821 -20.938 0.40 80.82 ? 224 GLN D NE2 1 +ATOM 14758 N NE2 B GLN D 4 214 ? 43.720 -70.768 -21.056 0.60 81.05 ? 224 GLN D NE2 1 +ATOM 14759 N N A ASP D 4 215 ? 38.386 -69.671 -18.853 0.40 54.43 ? 225 ASP D N 1 +ATOM 14760 N N B ASP D 4 215 ? 38.401 -69.681 -18.829 0.60 54.28 ? 225 ASP D N 1 +ATOM 14761 C CA A ASP D 4 215 ? 37.669 -70.614 -18.005 0.40 59.97 ? 225 ASP D CA 1 +ATOM 14762 C CA B ASP D 4 215 ? 37.708 -70.627 -17.970 0.60 59.87 ? 225 ASP D CA 1 +ATOM 14763 C C A ASP D 4 215 ? 37.716 -72.025 -18.573 0.40 65.78 ? 225 ASP D C 1 +ATOM 14764 C C B ASP D 4 215 ? 37.761 -72.040 -18.530 0.60 65.82 ? 225 ASP D C 1 +ATOM 14765 O O A ASP D 4 215 ? 36.950 -72.887 -18.132 0.40 67.31 ? 225 ASP D O 1 +ATOM 14766 O O B ASP D 4 215 ? 37.043 -72.918 -18.043 0.60 67.55 ? 225 ASP D O 1 +ATOM 14767 C CB A ASP D 4 215 ? 36.211 -70.170 -17.818 0.40 64.91 ? 225 ASP D CB 1 +ATOM 14768 C CB B ASP D 4 215 ? 36.252 -70.191 -17.761 0.60 65.02 ? 225 ASP D CB 1 +ATOM 14769 C CG A ASP D 4 215 ? 36.050 -69.053 -16.779 0.40 66.05 ? 225 ASP D CG 1 +ATOM 14770 C CG B ASP D 4 215 ? 36.102 -69.077 -16.721 0.60 66.17 ? 225 ASP D CG 1 +ATOM 14771 O OD1 A ASP D 4 215 ? 36.972 -68.837 -15.959 0.40 62.24 ? 225 ASP D OD1 1 +ATOM 14772 O OD1 B ASP D 4 215 ? 37.039 -68.846 -15.922 0.60 62.37 ? 225 ASP D OD1 1 +ATOM 14773 O OD2 A ASP D 4 215 ? 34.979 -68.402 -16.766 0.40 66.74 ? 225 ASP D OD2 1 +ATOM 14774 O OD2 B ASP D 4 215 ? 35.027 -68.440 -16.688 0.60 66.98 ? 225 ASP D OD2 1 +ATOM 14775 N N A GLY D 4 216 ? 38.571 -72.258 -19.573 0.40 63.62 ? 226 GLY D N 1 +ATOM 14776 N N B GLY D 4 216 ? 38.579 -72.261 -19.560 0.60 63.64 ? 226 GLY D N 1 +ATOM 14777 C CA A GLY D 4 216 ? 38.824 -73.562 -20.148 0.40 58.27 ? 226 GLY D CA 1 +ATOM 14778 C CA B GLY D 4 216 ? 38.803 -73.548 -20.187 0.60 58.11 ? 226 GLY D CA 1 +ATOM 14779 C C A GLY D 4 216 ? 40.125 -73.499 -20.920 0.40 70.63 ? 226 GLY D C 1 +ATOM 14780 C C B GLY D 4 216 ? 40.122 -73.495 -20.924 0.60 70.76 ? 226 GLY D C 1 +ATOM 14781 O O A GLY D 4 216 ? 40.765 -72.447 -21.016 0.40 63.96 ? 226 GLY D O 1 +ATOM 14782 O O B GLY D 4 216 ? 40.769 -72.447 -21.005 0.60 63.92 ? 226 GLY D O 1 +ATOM 14783 N N . GLU D 4 217 ? 40.516 -74.649 -21.472 1.00 63.43 ? 227 GLU D N 1 +ATOM 14784 C CA . GLU D 4 217 ? 41.818 -74.799 -22.121 1.00 67.13 ? 227 GLU D CA 1 +ATOM 14785 C C . GLU D 4 217 ? 41.762 -74.742 -23.644 1.00 67.44 ? 227 GLU D C 1 +ATOM 14786 O O . GLU D 4 217 ? 42.815 -74.584 -24.279 1.00 67.94 ? 227 GLU D O 1 +ATOM 14787 C CB . GLU D 4 217 ? 42.471 -76.138 -21.713 1.00 65.31 ? 227 GLU D CB 1 +ATOM 14788 C CG . GLU D 4 217 ? 42.600 -76.375 -20.202 1.00 90.07 ? 227 GLU D CG 1 +ATOM 14789 C CD . GLU D 4 217 ? 43.621 -75.460 -19.533 1.00 89.26 ? 227 GLU D CD 1 +ATOM 14790 O OE1 . GLU D 4 217 ? 44.588 -75.037 -20.204 1.00 108.25 ? 227 GLU D OE1 1 +ATOM 14791 O OE2 . GLU D 4 217 ? 43.452 -75.155 -18.334 1.00 122.44 ? 227 GLU D OE2 1 +ATOM 14792 N N . GLY D 4 218 ? 40.584 -74.888 -24.253 1.00 57.51 ? 228 GLY D N 1 +ATOM 14793 C CA . GLY D 4 218 ? 40.510 -74.867 -25.701 1.00 63.14 ? 228 GLY D CA 1 +ATOM 14794 C C . GLY D 4 218 ? 40.658 -73.471 -26.287 1.00 62.29 ? 228 GLY D C 1 +ATOM 14795 O O . GLY D 4 218 ? 40.447 -72.444 -25.632 1.00 64.77 ? 228 GLY D O 1 +ATOM 14796 N N A ALA D 4 219 ? 41.028 -73.430 -27.569 0.40 65.90 ? 229 ALA D N 1 +ATOM 14797 N N B ALA D 4 219 ? 41.046 -73.449 -27.565 0.60 65.98 ? 229 ALA D N 1 +ATOM 14798 C CA A ALA D 4 219 ? 41.121 -72.174 -28.311 0.40 64.15 ? 229 ALA D CA 1 +ATOM 14799 C CA B ALA D 4 219 ? 41.156 -72.197 -28.301 0.60 64.20 ? 229 ALA D CA 1 +ATOM 14800 C C A ALA D 4 219 ? 39.750 -71.641 -28.724 0.40 65.03 ? 229 ALA D C 1 +ATOM 14801 C C B ALA D 4 219 ? 39.791 -71.651 -28.704 0.60 65.24 ? 229 ALA D C 1 +ATOM 14802 O O A ALA D 4 219 ? 39.616 -70.438 -28.979 0.40 59.94 ? 229 ALA D O 1 +ATOM 14803 O O B ALA D 4 219 ? 39.670 -70.449 -28.974 0.60 59.99 ? 229 ALA D O 1 +ATOM 14804 C CB A ALA D 4 219 ? 42.015 -72.355 -29.539 0.40 56.12 ? 229 ALA D CB 1 +ATOM 14805 C CB B ALA D 4 219 ? 42.042 -72.390 -29.534 0.60 55.99 ? 229 ALA D CB 1 +ATOM 14806 N N A SER D 4 220 ? 38.738 -72.506 -28.807 0.40 62.66 ? 230 SER D N 1 +ATOM 14807 N N B SER D 4 220 ? 38.770 -72.507 -28.749 0.60 62.61 ? 230 SER D N 1 +ATOM 14808 C CA A SER D 4 220 ? 37.347 -72.074 -28.919 0.40 61.63 ? 230 SER D CA 1 +ATOM 14809 C CA B SER D 4 220 ? 37.382 -72.081 -28.872 0.60 61.50 ? 230 SER D CA 1 +ATOM 14810 C C A SER D 4 220 ? 36.836 -71.781 -27.521 0.40 63.91 ? 230 SER D C 1 +ATOM 14811 C C B SER D 4 220 ? 36.879 -71.749 -27.479 0.60 64.01 ? 230 SER D C 1 +ATOM 14812 O O A SER D 4 220 ? 36.700 -72.692 -26.697 0.40 65.51 ? 230 SER D O 1 +ATOM 14813 O O B SER D 4 220 ? 36.754 -72.636 -26.628 0.60 65.56 ? 230 SER D O 1 +ATOM 14814 C CB A SER D 4 220 ? 36.479 -73.142 -29.583 0.40 70.37 ? 230 SER D CB 1 +ATOM 14815 C CB B SER D 4 220 ? 36.531 -73.177 -29.513 0.60 70.58 ? 230 SER D CB 1 +ATOM 14816 O OG A SER D 4 220 ? 35.128 -73.060 -29.134 0.40 65.20 ? 230 SER D OG 1 +ATOM 14817 O OG B SER D 4 220 ? 35.142 -72.938 -29.328 0.60 65.71 ? 230 SER D OG 1 +ATOM 14818 N N A THR D 4 221 ? 36.536 -70.518 -27.252 0.40 58.78 ? 231 THR D N 1 +ATOM 14819 N N B THR D 4 221 ? 36.608 -70.471 -27.233 0.60 58.78 ? 231 THR D N 1 +ATOM 14820 C CA A THR D 4 221 ? 36.196 -70.109 -25.901 0.40 54.84 ? 231 THR D CA 1 +ATOM 14821 C CA B THR D 4 221 ? 36.261 -70.034 -25.890 0.60 54.68 ? 231 THR D CA 1 +ATOM 14822 C C A THR D 4 221 ? 34.726 -70.318 -25.570 0.40 53.21 ? 231 THR D C 1 +ATOM 14823 C C B THR D 4 221 ? 34.797 -70.275 -25.548 0.60 53.01 ? 231 THR D C 1 +ATOM 14824 O O A THR D 4 221 ? 34.347 -70.163 -24.407 0.40 56.62 ? 231 THR D O 1 +ATOM 14825 O O B THR D 4 221 ? 34.430 -70.166 -24.376 0.60 56.62 ? 231 THR D O 1 +ATOM 14826 C CB A THR D 4 221 ? 36.580 -68.640 -25.715 0.40 60.05 ? 231 THR D CB 1 +ATOM 14827 C CB B THR D 4 221 ? 36.617 -68.553 -25.728 0.60 60.18 ? 231 THR D CB 1 +ATOM 14828 O OG1 A THR D 4 221 ? 35.936 -67.852 -26.730 0.40 58.09 ? 231 THR D OG1 1 +ATOM 14829 O OG1 B THR D 4 221 ? 35.919 -67.775 -26.711 0.60 58.22 ? 231 THR D OG1 1 +ATOM 14830 C CG2 A THR D 4 221 ? 38.100 -68.480 -25.853 0.40 57.01 ? 231 THR D CG2 1 +ATOM 14831 C CG2 B THR D 4 221 ? 38.123 -68.353 -25.914 0.60 56.87 ? 231 THR D CG2 1 +ATOM 14832 N N A PHE D 4 222 ? 33.898 -70.682 -26.554 0.40 53.88 ? 232 PHE D N 1 +ATOM 14833 N N B PHE D 4 222 ? 33.967 -70.636 -26.530 0.60 53.81 ? 232 PHE D N 1 +ATOM 14834 C CA A PHE D 4 222 ? 32.464 -70.831 -26.312 0.40 55.06 ? 232 PHE D CA 1 +ATOM 14835 C CA B PHE D 4 222 ? 32.536 -70.800 -26.284 0.60 55.01 ? 232 PHE D CA 1 +ATOM 14836 C C A PHE D 4 222 ? 32.160 -71.913 -25.283 0.40 61.87 ? 232 PHE D C 1 +ATOM 14837 C C B PHE D 4 222 ? 32.257 -71.886 -25.249 0.60 61.96 ? 232 PHE D C 1 +ATOM 14838 O O A PHE D 4 222 ? 31.192 -71.786 -24.526 0.40 59.15 ? 232 PHE D O 1 +ATOM 14839 O O B PHE D 4 222 ? 31.365 -71.730 -24.409 0.60 58.76 ? 232 PHE D O 1 +ATOM 14840 C CB A PHE D 4 222 ? 31.738 -71.133 -27.627 0.40 56.09 ? 232 PHE D CB 1 +ATOM 14841 C CB B PHE D 4 222 ? 31.812 -71.118 -27.596 0.60 55.92 ? 232 PHE D CB 1 +ATOM 14842 C CG A PHE D 4 222 ? 31.807 -70.010 -28.610 0.40 60.32 ? 232 PHE D CG 1 +ATOM 14843 C CG B PHE D 4 222 ? 31.870 -70.010 -28.605 0.60 60.38 ? 232 PHE D CG 1 +ATOM 14844 C CD1 A PHE D 4 222 ? 31.007 -68.876 -28.443 0.40 55.67 ? 232 PHE D CD1 1 +ATOM 14845 C CD1 B PHE D 4 222 ? 31.042 -68.897 -28.484 0.60 55.78 ? 232 PHE D CD1 1 +ATOM 14846 C CD2 A PHE D 4 222 ? 32.699 -70.055 -29.668 0.40 56.21 ? 232 PHE D CD2 1 +ATOM 14847 C CD2 B PHE D 4 222 ? 32.761 -70.067 -29.665 0.60 56.15 ? 232 PHE D CD2 1 +ATOM 14848 C CE1 A PHE D 4 222 ? 31.090 -67.819 -29.334 0.40 57.09 ? 232 PHE D CE1 1 +ATOM 14849 C CE1 B PHE D 4 222 ? 31.102 -67.869 -29.408 0.60 57.21 ? 232 PHE D CE1 1 +ATOM 14850 C CE2 A PHE D 4 222 ? 32.787 -69.007 -30.565 0.40 59.07 ? 232 PHE D CE2 1 +ATOM 14851 C CE2 B PHE D 4 222 ? 32.824 -69.044 -30.595 0.60 59.14 ? 232 PHE D CE2 1 +ATOM 14852 C CZ A PHE D 4 222 ? 31.977 -67.887 -30.402 0.40 53.66 ? 232 PHE D CZ 1 +ATOM 14853 C CZ B PHE D 4 222 ? 31.993 -67.945 -30.468 0.60 53.57 ? 232 PHE D CZ 1 +ATOM 14854 N N A ARG D 4 223 ? 32.971 -72.974 -25.239 0.40 58.94 ? 233 ARG D N 1 +ATOM 14855 N N B ARG D 4 223 ? 33.007 -72.993 -25.298 0.60 58.90 ? 233 ARG D N 1 +ATOM 14856 C CA A ARG D 4 223 ? 32.679 -74.116 -24.377 0.40 63.37 ? 233 ARG D CA 1 +ATOM 14857 C CA B ARG D 4 223 ? 32.719 -74.137 -24.431 0.60 63.46 ? 233 ARG D CA 1 +ATOM 14858 C C A ARG D 4 223 ? 32.883 -73.790 -22.909 0.40 64.48 ? 233 ARG D C 1 +ATOM 14859 C C B ARG D 4 223 ? 32.900 -73.809 -22.958 0.60 64.55 ? 233 ARG D C 1 +ATOM 14860 O O A ARG D 4 223 ? 32.269 -74.427 -22.051 0.40 66.42 ? 233 ARG D O 1 +ATOM 14861 O O B ARG D 4 223 ? 32.268 -74.443 -22.107 0.60 66.46 ? 233 ARG D O 1 +ATOM 14862 C CB A ARG D 4 223 ? 33.553 -75.313 -24.755 0.40 59.86 ? 233 ARG D CB 1 +ATOM 14863 C CB B ARG D 4 223 ? 33.612 -75.324 -24.793 0.60 59.76 ? 233 ARG D CB 1 +ATOM 14864 C CG A ARG D 4 223 ? 33.301 -75.836 -26.141 0.40 65.66 ? 233 ARG D CG 1 +ATOM 14865 C CG B ARG D 4 223 ? 33.348 -75.887 -26.159 0.60 65.52 ? 233 ARG D CG 1 +ATOM 14866 C CD A ARG D 4 223 ? 33.721 -77.280 -26.266 0.40 81.67 ? 233 ARG D CD 1 +ATOM 14867 C CD B ARG D 4 223 ? 33.757 -77.335 -26.257 0.60 81.72 ? 233 ARG D CD 1 +ATOM 14868 N NE A ARG D 4 223 ? 32.855 -77.975 -27.207 0.40 89.65 ? 233 ARG D NE 1 +ATOM 14869 N NE B ARG D 4 223 ? 32.896 -78.027 -27.204 0.60 89.72 ? 233 ARG D NE 1 +ATOM 14870 C CZ A ARG D 4 223 ? 33.082 -79.188 -27.692 0.40 102.90 ? 233 ARG D CZ 1 +ATOM 14871 C CZ B ARG D 4 223 ? 33.103 -79.253 -27.661 0.60 103.18 ? 233 ARG D CZ 1 +ATOM 14872 N NH1 A ARG D 4 223 ? 34.143 -79.894 -27.325 0.40 104.79 ? 233 ARG D NH1 1 +ATOM 14873 N NH1 B ARG D 4 223 ? 34.148 -79.970 -27.272 0.60 104.88 ? 233 ARG D NH1 1 +ATOM 14874 N NH2 A ARG D 4 223 ? 32.232 -79.699 -28.581 0.40 111.99 ? 233 ARG D NH2 1 +ATOM 14875 N NH2 B ARG D 4 223 ? 32.247 -79.770 -28.539 0.60 112.34 ? 233 ARG D NH2 1 +ATOM 14876 N N A ALA D 4 224 ? 33.734 -72.816 -22.597 0.40 58.67 ? 234 ALA D N 1 +ATOM 14877 N N B ALA D 4 224 ? 33.753 -72.839 -22.632 0.60 58.48 ? 234 ALA D N 1 +ATOM 14878 C CA A ALA D 4 224 ? 34.047 -72.527 -21.201 0.40 63.40 ? 234 ALA D CA 1 +ATOM 14879 C CA B ALA D 4 224 ? 34.073 -72.554 -21.238 0.60 63.37 ? 234 ALA D CA 1 +ATOM 14880 C C A ALA D 4 224 ? 32.976 -71.644 -20.561 0.40 67.00 ? 234 ALA D C 1 +ATOM 14881 C C B ALA D 4 224 ? 33.006 -71.687 -20.575 0.60 67.12 ? 234 ALA D C 1 +ATOM 14882 O O A ALA D 4 224 ? 33.284 -70.624 -19.937 0.40 67.86 ? 234 ALA D O 1 +ATOM 14883 O O B ALA D 4 224 ? 33.323 -70.660 -19.962 0.60 68.10 ? 234 ALA D O 1 +ATOM 14884 C CB A ALA D 4 224 ? 35.433 -71.881 -21.106 0.40 63.34 ? 234 ALA D CB 1 +ATOM 14885 C CB B ALA D 4 224 ? 35.445 -71.883 -21.144 0.60 63.29 ? 234 ALA D CB 1 +ATOM 14886 N N A PHE D 4 225 ? 31.710 -72.016 -20.720 0.40 62.19 ? 235 PHE D N 1 +ATOM 14887 N N B PHE D 4 225 ? 31.740 -72.078 -20.693 0.60 62.12 ? 235 PHE D N 1 +ATOM 14888 C CA A PHE D 4 225 ? 30.622 -71.304 -20.065 0.40 67.74 ? 235 PHE D CA 1 +ATOM 14889 C CA B PHE D 4 225 ? 30.662 -71.348 -20.045 0.60 67.89 ? 235 PHE D CA 1 +ATOM 14890 C C A PHE D 4 225 ? 29.547 -72.304 -19.679 0.40 61.54 ? 235 PHE D C 1 +ATOM 14891 C C B PHE D 4 225 ? 29.546 -72.319 -19.696 0.60 61.45 ? 235 PHE D C 1 +ATOM 14892 O O A PHE D 4 225 ? 29.229 -73.202 -20.452 0.40 63.32 ? 235 PHE D O 1 +ATOM 14893 O O B PHE D 4 225 ? 29.171 -73.156 -20.516 0.60 63.30 ? 235 PHE D O 1 +ATOM 14894 C CB A PHE D 4 225 ? 30.002 -70.201 -20.956 0.40 62.97 ? 235 PHE D CB 1 +ATOM 14895 C CB B PHE D 4 225 ? 30.095 -70.222 -20.924 0.60 63.03 ? 235 PHE D CB 1 +ATOM 14896 C CG A PHE D 4 225 ? 28.809 -69.534 -20.320 0.40 61.99 ? 235 PHE D CG 1 +ATOM 14897 C CG B PHE D 4 225 ? 28.891 -69.546 -20.316 0.60 62.11 ? 235 PHE D CG 1 +ATOM 14898 C CD1 A PHE D 4 225 ? 28.986 -68.488 -19.425 0.40 62.10 ? 235 PHE D CD1 1 +ATOM 14899 C CD1 B PHE D 4 225 ? 29.052 -68.526 -19.392 0.60 62.23 ? 235 PHE D CD1 1 +ATOM 14900 C CD2 A PHE D 4 225 ? 27.518 -69.993 -20.568 0.40 57.10 ? 235 PHE D CD2 1 +ATOM 14901 C CD2 B PHE D 4 225 ? 27.603 -69.966 -20.631 0.60 56.99 ? 235 PHE D CD2 1 +ATOM 14902 C CE1 A PHE D 4 225 ? 27.900 -67.895 -18.797 0.40 61.31 ? 235 PHE D CE1 1 +ATOM 14903 C CE1 B PHE D 4 225 ? 27.956 -67.922 -18.804 0.60 61.36 ? 235 PHE D CE1 1 +ATOM 14904 C CE2 A PHE D 4 225 ? 26.427 -69.406 -19.951 0.40 56.68 ? 235 PHE D CE2 1 +ATOM 14905 C CE2 B PHE D 4 225 ? 26.503 -69.363 -20.051 0.60 56.49 ? 235 PHE D CE2 1 +ATOM 14906 C CZ A PHE D 4 225 ? 26.616 -68.356 -19.057 0.40 62.26 ? 235 PHE D CZ 1 +ATOM 14907 C CZ B PHE D 4 225 ? 26.677 -68.341 -19.139 0.60 62.30 ? 235 PHE D CZ 1 +ATOM 14908 N N A ASN D 4 226 ? 28.964 -72.124 -18.498 0.40 63.39 ? 236 ASN D N 1 +ATOM 14909 N N B ASN D 4 226 ? 28.992 -72.167 -18.496 0.60 63.33 ? 236 ASN D N 1 +ATOM 14910 C CA A ASN D 4 226 ? 27.908 -73.004 -18.016 0.40 68.45 ? 236 ASN D CA 1 +ATOM 14911 C CA B ASN D 4 226 ? 27.926 -73.034 -18.011 0.60 68.53 ? 236 ASN D CA 1 +ATOM 14912 C C A ASN D 4 226 ? 26.727 -72.151 -17.574 0.40 60.60 ? 236 ASN D C 1 +ATOM 14913 C C B ASN D 4 226 ? 26.744 -72.168 -17.599 0.60 60.32 ? 236 ASN D C 1 +ATOM 14914 O O A ASN D 4 226 ? 26.888 -71.298 -16.679 0.40 68.70 ? 236 ASN D O 1 +ATOM 14915 O O B ASN D 4 226 ? 26.897 -71.297 -16.719 0.60 68.79 ? 236 ASN D O 1 +ATOM 14916 C CB A ASN D 4 226 ? 28.413 -73.880 -16.870 0.40 72.64 ? 236 ASN D CB 1 +ATOM 14917 C CB B ASN D 4 226 ? 28.416 -73.893 -16.842 0.60 72.65 ? 236 ASN D CB 1 +ATOM 14918 C CG A ASN D 4 226 ? 27.421 -74.943 -16.485 0.40 77.79 ? 236 ASN D CG 1 +ATOM 14919 C CG B ASN D 4 226 ? 27.411 -74.945 -16.436 0.60 77.85 ? 236 ASN D CG 1 +ATOM 14920 O OD1 A ASN D 4 226 ? 26.476 -74.682 -15.743 0.40 81.64 ? 236 ASN D OD1 1 +ATOM 14921 O OD1 B ASN D 4 226 ? 26.490 -74.674 -15.669 0.60 81.95 ? 236 ASN D OD1 1 +ATOM 14922 N ND2 A ASN D 4 226 ? 27.618 -76.156 -17.002 0.40 99.56 ? 236 ASN D ND2 1 +ATOM 14923 N ND2 B ASN D 4 226 ? 27.582 -76.158 -16.952 0.60 99.88 ? 236 ASN D ND2 1 +ATOM 14924 N N A PRO D 4 227 ? 25.538 -72.348 -18.154 0.40 70.49 ? 237 PRO D N 1 +ATOM 14925 N N B PRO D 4 227 ? 25.555 -72.377 -18.179 0.60 70.66 ? 237 PRO D N 1 +ATOM 14926 C CA A PRO D 4 227 ? 24.388 -71.478 -17.840 0.40 63.60 ? 237 PRO D CA 1 +ATOM 14927 C CA B PRO D 4 227 ? 24.401 -71.514 -17.878 0.60 63.50 ? 237 PRO D CA 1 +ATOM 14928 C C A PRO D 4 227 ? 24.117 -71.295 -16.361 0.40 73.81 ? 237 PRO D C 1 +ATOM 14929 C C B PRO D 4 227 ? 24.098 -71.330 -16.399 0.60 73.93 ? 237 PRO D C 1 +ATOM 14930 O O A PRO D 4 227 ? 23.593 -70.243 -15.966 0.40 72.06 ? 237 PRO D O 1 +ATOM 14931 O O B PRO D 4 227 ? 23.504 -70.316 -16.019 0.60 72.19 ? 237 PRO D O 1 +ATOM 14932 C CB A PRO D 4 227 ? 23.216 -72.191 -18.526 0.40 61.60 ? 237 PRO D CB 1 +ATOM 14933 C CB B PRO D 4 227 ? 23.243 -72.233 -18.580 0.60 61.48 ? 237 PRO D CB 1 +ATOM 14934 C CG A PRO D 4 227 ? 23.837 -72.949 -19.640 0.40 67.64 ? 237 PRO D CG 1 +ATOM 14935 C CG B PRO D 4 227 ? 23.891 -72.945 -19.716 0.60 67.68 ? 237 PRO D CG 1 +ATOM 14936 C CD A PRO D 4 227 ? 25.234 -73.322 -19.214 0.40 65.19 ? 237 PRO D CD 1 +ATOM 14937 C CD B PRO D 4 227 ? 25.256 -73.361 -19.235 0.60 65.05 ? 237 PRO D CD 1 +ATOM 14938 N N A THR D 4 228 ? 24.448 -72.267 -15.516 0.40 72.99 ? 238 THR D N 1 +ATOM 14939 N N B THR D 4 228 ? 24.478 -72.280 -15.546 0.60 73.05 ? 238 THR D N 1 +ATOM 14940 C CA A THR D 4 228 ? 24.137 -72.125 -14.099 0.40 68.05 ? 238 THR D CA 1 +ATOM 14941 C CA B THR D 4 228 ? 24.158 -72.159 -14.128 0.60 68.02 ? 238 THR D CA 1 +ATOM 14942 C C A THR D 4 228 ? 25.305 -71.623 -13.267 0.40 66.71 ? 238 THR D C 1 +ATOM 14943 C C B THR D 4 228 ? 25.321 -71.667 -13.283 0.60 66.66 ? 238 THR D C 1 +ATOM 14944 O O A THR D 4 228 ? 25.148 -71.472 -12.052 0.40 72.28 ? 238 THR D O 1 +ATOM 14945 O O B THR D 4 228 ? 25.147 -71.503 -12.073 0.60 72.35 ? 238 THR D O 1 +ATOM 14946 C CB A THR D 4 228 ? 23.631 -73.450 -13.517 0.40 74.23 ? 238 THR D CB 1 +ATOM 14947 C CB B THR D 4 228 ? 23.656 -73.491 -13.562 0.60 74.38 ? 238 THR D CB 1 +ATOM 14948 O OG1 A THR D 4 228 ? 24.568 -74.494 -13.817 0.40 67.80 ? 238 THR D OG1 1 +ATOM 14949 O OG1 B THR D 4 228 ? 24.591 -74.534 -13.872 0.60 67.75 ? 238 THR D OG1 1 +ATOM 14950 C CG2 A THR D 4 228 ? 22.262 -73.796 -14.099 0.40 73.25 ? 238 THR D CG2 1 +ATOM 14951 C CG2 B THR D 4 228 ? 22.281 -73.829 -14.130 0.60 73.32 ? 238 THR D CG2 1 +ATOM 14952 N N A GLN D 4 229 ? 26.461 -71.356 -13.872 0.40 65.22 ? 239 GLN D N 1 +ATOM 14953 N N B GLN D 4 229 ? 26.492 -71.431 -13.873 0.60 65.06 ? 239 GLN D N 1 +ATOM 14954 C CA A GLN D 4 229 ? 27.583 -70.837 -13.095 0.40 65.59 ? 239 GLN D CA 1 +ATOM 14955 C CA B GLN D 4 229 ? 27.603 -70.898 -13.092 0.60 65.44 ? 239 GLN D CA 1 +ATOM 14956 C C A GLN D 4 229 ? 27.212 -69.512 -12.429 0.40 71.17 ? 239 GLN D C 1 +ATOM 14957 C C B GLN D 4 229 ? 27.211 -69.574 -12.435 0.60 71.22 ? 239 GLN D C 1 +ATOM 14958 O O A GLN D 4 229 ? 26.379 -68.747 -12.924 0.40 67.64 ? 239 GLN D O 1 +ATOM 14959 O O B GLN D 4 229 ? 26.379 -68.816 -12.946 0.60 67.76 ? 239 GLN D O 1 +ATOM 14960 C CB A GLN D 4 229 ? 28.808 -70.653 -13.988 0.40 67.70 ? 239 GLN D CB 1 +ATOM 14961 C CB B GLN D 4 229 ? 28.832 -70.703 -13.976 0.60 67.66 ? 239 GLN D CB 1 +ATOM 14962 C CG A GLN D 4 229 ? 28.734 -69.444 -14.928 0.40 70.08 ? 239 GLN D CG 1 +ATOM 14963 C CG B GLN D 4 229 ? 28.752 -69.491 -14.888 0.60 70.20 ? 239 GLN D CG 1 +ATOM 14964 C CD A GLN D 4 229 ? 29.877 -69.430 -15.910 0.40 66.91 ? 239 GLN D CD 1 +ATOM 14965 C CD B GLN D 4 229 ? 29.869 -69.460 -15.900 0.60 66.97 ? 239 GLN D CD 1 +ATOM 14966 O OE1 A GLN D 4 229 ? 30.049 -70.370 -16.677 0.40 66.30 ? 239 GLN D OE1 1 +ATOM 14967 O OE1 B GLN D 4 229 ? 30.070 -70.423 -16.638 0.60 66.39 ? 239 GLN D OE1 1 +ATOM 14968 N NE2 A GLN D 4 229 ? 30.681 -68.377 -15.875 0.40 62.04 ? 239 GLN D NE2 1 +ATOM 14969 N NE2 B GLN D 4 229 ? 30.611 -68.357 -15.938 0.60 61.94 ? 239 GLN D NE2 1 +ATOM 14970 N N A ALA D 4 230 ? 27.831 -69.242 -11.283 0.40 69.85 ? 240 ALA D N 1 +ATOM 14971 N N B ALA D 4 230 ? 27.806 -69.300 -11.278 0.60 69.83 ? 240 ALA D N 1 +ATOM 14972 C CA A ALA D 4 230 ? 27.542 -68.002 -10.575 0.40 73.86 ? 240 ALA D CA 1 +ATOM 14973 C CA B ALA D 4 230 ? 27.490 -68.069 -10.568 0.60 73.96 ? 240 ALA D CA 1 +ATOM 14974 C C A ALA D 4 230 ? 28.414 -66.836 -11.027 0.40 65.61 ? 240 ALA D C 1 +ATOM 14975 C C B ALA D 4 230 ? 28.348 -66.887 -11.003 0.60 65.68 ? 240 ALA D C 1 +ATOM 14976 O O A ALA D 4 230 ? 27.997 -65.686 -10.876 0.40 63.49 ? 240 ALA D O 1 +ATOM 14977 O O B ALA D 4 230 ? 27.932 -65.741 -10.807 0.60 63.48 ? 240 ALA D O 1 +ATOM 14978 C CB A ALA D 4 230 ? 27.698 -68.200 -9.061 0.40 65.95 ? 240 ALA D CB 1 +ATOM 14979 C CB B ALA D 4 230 ? 27.635 -68.269 -9.053 0.60 65.92 ? 240 ALA D CB 1 +ATOM 14980 N N A GLU D 4 231 ? 29.593 -67.099 -11.586 0.40 59.76 ? 241 GLU D N 1 +ATOM 14981 N N B GLU D 4 231 ? 29.516 -67.131 -11.595 0.60 59.50 ? 241 GLU D N 1 +ATOM 14982 C CA A GLU D 4 231 ? 30.544 -66.038 -11.877 0.40 65.93 ? 241 GLU D CA 1 +ATOM 14983 C CA B GLU D 4 231 ? 30.475 -66.075 -11.872 0.60 65.81 ? 241 GLU D CA 1 +ATOM 14984 C C A GLU D 4 231 ? 30.234 -65.373 -13.211 0.40 66.50 ? 241 GLU D C 1 +ATOM 14985 C C B GLU D 4 231 ? 30.198 -65.418 -13.217 0.60 66.58 ? 241 GLU D C 1 +ATOM 14986 O O A GLU D 4 231 ? 29.744 -66.004 -14.152 0.40 64.90 ? 241 GLU D O 1 +ATOM 14987 O O B GLU D 4 231 ? 29.682 -66.044 -14.147 0.60 64.96 ? 241 GLU D O 1 +ATOM 14988 C CB A GLU D 4 231 ? 31.979 -66.564 -11.921 0.40 67.13 ? 241 GLU D CB 1 +ATOM 14989 C CB B GLU D 4 231 ? 31.912 -66.605 -11.870 0.60 67.02 ? 241 GLU D CB 1 +ATOM 14990 C CG A GLU D 4 231 ? 32.310 -67.591 -10.866 0.40 86.23 ? 241 GLU D CG 1 +ATOM 14991 C CG B GLU D 4 231 ? 32.202 -67.667 -10.834 0.60 86.74 ? 241 GLU D CG 1 +ATOM 14992 C CD A GLU D 4 231 ? 31.880 -68.984 -11.293 0.40 91.31 ? 241 GLU D CD 1 +ATOM 14993 C CD B GLU D 4 231 ? 31.805 -69.055 -11.309 0.60 91.50 ? 241 GLU D CD 1 +ATOM 14994 O OE1 A GLU D 4 231 ? 32.407 -69.483 -12.320 0.40 98.00 ? 241 GLU D OE1 1 +ATOM 14995 O OE1 B GLU D 4 231 ? 32.310 -69.494 -12.370 0.60 98.27 ? 241 GLU D OE1 1 +ATOM 14996 O OE2 A GLU D 4 231 ? 30.990 -69.553 -10.625 0.40 92.01 ? 241 GLU D OE2 1 +ATOM 14997 O OE2 B GLU D 4 231 ? 30.970 -69.694 -10.631 0.60 92.82 ? 241 GLU D OE2 1 +ATOM 14998 N N A GLU D 4 232 ? 30.533 -64.081 -13.281 0.40 62.79 ? 242 GLU D N 1 +ATOM 14999 N N B GLU D 4 232 ? 30.545 -64.137 -13.303 0.60 62.69 ? 242 GLU D N 1 +ATOM 15000 C CA A GLU D 4 232 ? 30.510 -63.397 -14.562 0.40 61.59 ? 242 GLU D CA 1 +ATOM 15001 C CA B GLU D 4 232 ? 30.533 -63.451 -14.581 0.60 61.55 ? 242 GLU D CA 1 +ATOM 15002 C C A GLU D 4 232 ? 31.525 -64.056 -15.487 0.40 57.46 ? 242 GLU D C 1 +ATOM 15003 C C B GLU D 4 232 ? 31.565 -64.097 -15.498 0.60 57.45 ? 242 GLU D C 1 +ATOM 15004 O O A GLU D 4 232 ? 32.614 -64.452 -15.059 0.40 57.09 ? 242 GLU D O 1 +ATOM 15005 O O B GLU D 4 232 ? 32.659 -64.468 -15.066 0.60 57.10 ? 242 GLU D O 1 +ATOM 15006 C CB A GLU D 4 232 ? 30.812 -61.906 -14.374 0.40 62.69 ? 242 GLU D CB 1 +ATOM 15007 C CB B GLU D 4 232 ? 30.819 -61.950 -14.387 0.60 62.75 ? 242 GLU D CB 1 +ATOM 15008 C CG A GLU D 4 232 ? 32.052 -61.602 -13.522 0.40 65.52 ? 242 GLU D CG 1 +ATOM 15009 C CG B GLU D 4 232 ? 32.126 -61.640 -13.652 0.60 65.32 ? 242 GLU D CG 1 +ATOM 15010 C CD A GLU D 4 232 ? 32.465 -60.118 -13.534 0.40 69.15 ? 242 GLU D CD 1 +ATOM 15011 C CD B GLU D 4 232 ? 32.525 -60.155 -13.655 0.60 69.40 ? 242 GLU D CD 1 +ATOM 15012 O OE1 A GLU D 4 232 ? 31.621 -59.240 -13.857 0.40 62.38 ? 242 GLU D OE1 1 +ATOM 15013 O OE1 B GLU D 4 232 ? 31.676 -59.271 -13.945 0.60 62.58 ? 242 GLU D OE1 1 +ATOM 15014 O OE2 A GLU D 4 232 ? 33.649 -59.839 -13.219 0.40 68.01 ? 242 GLU D OE2 1 +ATOM 15015 O OE2 B GLU D 4 232 ? 33.713 -59.875 -13.356 0.60 68.07 ? 242 GLU D OE2 1 +ATOM 15016 N N A THR D 4 233 ? 31.151 -64.212 -16.755 0.40 53.29 ? 243 THR D N 1 +ATOM 15017 N N B THR D 4 233 ? 31.197 -64.268 -16.765 0.60 53.17 ? 243 THR D N 1 +ATOM 15018 C CA A THR D 4 233 ? 32.037 -64.874 -17.695 0.40 50.15 ? 243 THR D CA 1 +ATOM 15019 C CA B THR D 4 233 ? 32.077 -64.931 -17.715 0.60 50.06 ? 243 THR D CA 1 +ATOM 15020 C C A THR D 4 233 ? 33.074 -63.934 -18.298 0.40 53.04 ? 243 THR D C 1 +ATOM 15021 C C B THR D 4 233 ? 33.121 -63.988 -18.312 0.60 53.13 ? 243 THR D C 1 +ATOM 15022 O O A THR D 4 233 ? 34.012 -64.409 -18.953 0.40 50.78 ? 243 THR D O 1 +ATOM 15023 O O B THR D 4 233 ? 34.073 -64.462 -18.947 0.60 50.73 ? 243 THR D O 1 +ATOM 15024 C CB A THR D 4 233 ? 31.220 -65.552 -18.803 0.40 47.42 ? 243 THR D CB 1 +ATOM 15025 C CB B THR D 4 233 ? 31.235 -65.585 -18.821 0.60 47.23 ? 243 THR D CB 1 +ATOM 15026 O OG1 A THR D 4 233 ? 32.066 -66.451 -19.529 0.40 53.34 ? 243 THR D OG1 1 +ATOM 15027 O OG1 B THR D 4 233 ? 32.030 -66.543 -19.534 0.60 53.38 ? 243 THR D OG1 1 +ATOM 15028 C CG2 A THR D 4 233 ? 30.642 -64.515 -19.777 0.40 52.15 ? 243 THR D CG2 1 +ATOM 15029 C CG2 B THR D 4 233 ? 30.707 -64.534 -19.805 0.60 52.15 ? 243 THR D CG2 1 +ATOM 15030 N N A TYR D 4 234 ? 32.938 -62.624 -18.090 0.40 56.30 ? 244 TYR D N 1 +ATOM 15031 N N B TYR D 4 234 ? 32.976 -62.676 -18.112 0.60 56.47 ? 244 TYR D N 1 +ATOM 15032 C CA A TYR D 4 234 ? 33.895 -61.648 -18.600 0.40 52.81 ? 244 TYR D CA 1 +ATOM 15033 C CA B TYR D 4 234 ? 33.925 -61.686 -18.614 0.60 52.91 ? 244 TYR D CA 1 +ATOM 15034 C C A TYR D 4 234 ? 34.153 -60.624 -17.509 0.40 49.25 ? 244 TYR D C 1 +ATOM 15035 C C B TYR D 4 234 ? 34.184 -60.661 -17.521 0.60 49.08 ? 244 TYR D C 1 +ATOM 15036 O O A TYR D 4 234 ? 33.369 -60.491 -16.570 0.40 51.93 ? 244 TYR D O 1 +ATOM 15037 O O B TYR D 4 234 ? 33.402 -60.525 -16.578 0.60 51.98 ? 244 TYR D O 1 +ATOM 15038 C CB A TYR D 4 234 ? 33.393 -60.955 -19.884 0.40 46.08 ? 244 TYR D CB 1 +ATOM 15039 C CB B TYR D 4 234 ? 33.420 -60.990 -19.887 0.60 45.90 ? 244 TYR D CB 1 +ATOM 15040 C CG A TYR D 4 234 ? 32.209 -60.046 -19.643 0.40 51.14 ? 244 TYR D CG 1 +ATOM 15041 C CG B TYR D 4 234 ? 32.231 -60.082 -19.659 0.60 51.15 ? 244 TYR D CG 1 +ATOM 15042 C CD1 A TYR D 4 234 ? 30.920 -60.570 -19.553 0.40 50.52 ? 244 TYR D CD1 1 +ATOM 15043 C CD1 B TYR D 4 234 ? 30.944 -60.598 -19.599 0.60 50.51 ? 244 TYR D CD1 1 +ATOM 15044 C CD2 A TYR D 4 234 ? 32.377 -58.658 -19.504 0.40 53.50 ? 244 TYR D CD2 1 +ATOM 15045 C CD2 B TYR D 4 234 ? 32.399 -58.701 -19.508 0.60 53.63 ? 244 TYR D CD2 1 +ATOM 15046 C CE1 A TYR D 4 234 ? 29.832 -59.759 -19.324 0.40 53.56 ? 244 TYR D CE1 1 +ATOM 15047 C CE1 B TYR D 4 234 ? 29.856 -59.783 -19.388 0.60 53.58 ? 244 TYR D CE1 1 +ATOM 15048 C CE2 A TYR D 4 234 ? 31.287 -57.827 -19.276 0.40 52.30 ? 244 TYR D CE2 1 +ATOM 15049 C CE2 B TYR D 4 234 ? 31.312 -57.865 -19.298 0.60 52.40 ? 244 TYR D CE2 1 +ATOM 15050 C CZ A TYR D 4 234 ? 30.018 -58.389 -19.190 0.40 59.34 ? 244 TYR D CZ 1 +ATOM 15051 C CZ B TYR D 4 234 ? 30.043 -58.414 -19.244 0.60 59.58 ? 244 TYR D CZ 1 +ATOM 15052 O OH A TYR D 4 234 ? 28.924 -57.589 -18.989 0.40 57.28 ? 244 TYR D OH 1 +ATOM 15053 O OH B TYR D 4 234 ? 28.955 -57.602 -19.049 0.60 57.26 ? 244 TYR D OH 1 +ATOM 15054 N N A SER D 4 235 ? 35.253 -59.886 -17.651 0.40 47.22 ? 245 SER D N 1 +ATOM 15055 N N B SER D 4 235 ? 35.279 -59.913 -17.677 0.60 47.16 ? 245 SER D N 1 +ATOM 15056 C CA A SER D 4 235 ? 35.697 -58.932 -16.637 0.40 46.51 ? 245 SER D CA 1 +ATOM 15057 C CA B SER D 4 235 ? 35.753 -58.980 -16.653 0.60 46.36 ? 245 SER D CA 1 +ATOM 15058 C C A SER D 4 235 ? 35.103 -57.544 -16.879 0.40 53.76 ? 245 SER D C 1 +ATOM 15059 C C B SER D 4 235 ? 35.180 -57.587 -16.890 0.60 53.99 ? 245 SER D C 1 +ATOM 15060 O O A SER D 4 235 ? 35.557 -56.805 -17.760 0.40 51.30 ? 245 SER D O 1 +ATOM 15061 O O B SER D 4 235 ? 35.645 -56.843 -17.761 0.60 51.49 ? 245 SER D O 1 +ATOM 15062 C CB A SER D 4 235 ? 37.217 -58.822 -16.613 0.40 49.03 ? 245 SER D CB 1 +ATOM 15063 C CB B SER D 4 235 ? 37.275 -58.915 -16.627 0.60 48.90 ? 245 SER D CB 1 +ATOM 15064 O OG A SER D 4 235 ? 37.581 -57.879 -15.620 0.40 54.23 ? 245 SER D OG 1 +ATOM 15065 O OG B SER D 4 235 ? 37.682 -57.946 -15.671 0.60 54.95 ? 245 SER D OG 1 +ATOM 15066 N N A MET D 4 236 ? 34.124 -57.170 -16.061 0.40 48.47 ? 246 MET D N 1 +ATOM 15067 N N B MET D 4 236 ? 34.191 -57.224 -16.079 0.60 48.45 ? 246 MET D N 1 +ATOM 15068 C CA A MET D 4 236 ? 33.626 -55.803 -16.075 0.40 45.16 ? 246 MET D CA 1 +ATOM 15069 C CA B MET D 4 236 ? 33.649 -55.875 -16.109 0.60 44.88 ? 246 MET D CA 1 +ATOM 15070 C C A MET D 4 236 ? 34.717 -54.801 -15.689 0.40 50.22 ? 246 MET D C 1 +ATOM 15071 C C B MET D 4 236 ? 34.696 -54.842 -15.699 0.60 50.29 ? 246 MET D C 1 +ATOM 15072 O O A MET D 4 236 ? 34.745 -53.686 -16.219 0.40 50.89 ? 246 MET D O 1 +ATOM 15073 O O B MET D 4 236 ? 34.670 -53.706 -16.187 0.60 51.02 ? 246 MET D O 1 +ATOM 15074 C CB A MET D 4 236 ? 32.434 -55.700 -15.125 0.40 54.02 ? 246 MET D CB 1 +ATOM 15075 C CB B MET D 4 236 ? 32.430 -55.819 -15.192 0.60 53.92 ? 246 MET D CB 1 +ATOM 15076 C CG A MET D 4 236 ? 31.685 -54.401 -15.214 0.40 66.10 ? 246 MET D CG 1 +ATOM 15077 C CG B MET D 4 236 ? 31.668 -54.530 -15.245 0.60 66.57 ? 246 MET D CG 1 +ATOM 15078 S SD A MET D 4 236 ? 30.811 -54.231 -16.790 0.40 59.70 ? 246 MET D SD 1 +ATOM 15079 S SD B MET D 4 236 ? 30.826 -54.315 -16.821 0.60 59.72 ? 246 MET D SD 1 +ATOM 15080 C CE A MET D 4 236 ? 30.007 -52.668 -16.439 0.40 54.83 ? 246 MET D CE 1 +ATOM 15081 C CE B MET D 4 236 ? 30.054 -52.740 -16.463 0.60 54.90 ? 246 MET D CE 1 +ATOM 15082 N N A VAL D 4 237 ? 35.630 -55.181 -14.789 0.40 45.93 ? 247 VAL D N 1 +ATOM 15083 N N B VAL D 4 237 ? 35.635 -55.220 -14.827 0.60 45.88 ? 247 VAL D N 1 +ATOM 15084 C CA A VAL D 4 237 ? 36.673 -54.260 -14.342 0.40 47.65 ? 247 VAL D CA 1 +ATOM 15085 C CA B VAL D 4 237 ? 36.659 -54.284 -14.373 0.60 47.52 ? 247 VAL D CA 1 +ATOM 15086 C C A VAL D 4 237 ? 37.624 -53.929 -15.484 0.40 49.47 ? 247 VAL D C 1 +ATOM 15087 C C B VAL D 4 237 ? 37.630 -53.959 -15.498 0.60 49.48 ? 247 VAL D C 1 +ATOM 15088 O O A VAL D 4 237 ? 37.927 -52.755 -15.737 0.40 51.27 ? 247 VAL D O 1 +ATOM 15089 O O B VAL D 4 237 ? 37.988 -52.792 -15.706 0.60 51.43 ? 247 VAL D O 1 +ATOM 15090 C CB A VAL D 4 237 ? 37.434 -54.829 -13.126 0.40 50.91 ? 247 VAL D CB 1 +ATOM 15091 C CB B VAL D 4 237 ? 37.388 -54.838 -13.129 0.60 50.86 ? 247 VAL D CB 1 +ATOM 15092 C CG1 A VAL D 4 237 ? 38.670 -53.981 -12.832 0.40 54.34 ? 247 VAL D CG1 1 +ATOM 15093 C CG1 B VAL D 4 237 ? 38.640 -54.026 -12.829 0.60 54.41 ? 247 VAL D CG1 1 +ATOM 15094 C CG2 A VAL D 4 237 ? 36.544 -54.855 -11.907 0.40 54.00 ? 247 VAL D CG2 1 +ATOM 15095 C CG2 B VAL D 4 237 ? 36.468 -54.815 -11.939 0.60 54.02 ? 247 VAL D CG2 1 +ATOM 15096 N N A THR D 4 238 ? 38.121 -54.955 -16.182 0.40 48.49 ? 248 THR D N 1 +ATOM 15097 N N B THR D 4 238 ? 38.074 -54.977 -16.240 0.60 48.37 ? 248 THR D N 1 +ATOM 15098 C CA A THR D 4 238 ? 39.002 -54.706 -17.320 0.40 48.98 ? 248 THR D CA 1 +ATOM 15099 C CA B THR D 4 238 ? 38.977 -54.734 -17.362 0.60 49.02 ? 248 THR D CA 1 +ATOM 15100 C C A THR D 4 238 ? 38.266 -53.987 -18.450 0.40 50.33 ? 248 THR D C 1 +ATOM 15101 C C B THR D 4 238 ? 38.273 -53.982 -18.488 0.60 50.41 ? 248 THR D C 1 +ATOM 15102 O O A THR D 4 238 ? 38.809 -53.047 -19.043 0.40 52.74 ? 248 THR D O 1 +ATOM 15103 O O B THR D 4 238 ? 38.857 -53.074 -19.090 0.60 52.95 ? 248 THR D O 1 +ATOM 15104 C CB A THR D 4 238 ? 39.619 -56.017 -17.814 0.40 53.47 ? 248 THR D CB 1 +ATOM 15105 C CB B THR D 4 238 ? 39.553 -56.059 -17.881 0.60 53.33 ? 248 THR D CB 1 +ATOM 15106 O OG1 A THR D 4 238 ? 40.577 -56.475 -16.848 0.40 59.62 ? 248 THR D OG1 1 +ATOM 15107 O OG1 B THR D 4 238 ? 40.493 -56.568 -16.928 0.60 60.04 ? 248 THR D OG1 1 +ATOM 15108 C CG2 A THR D 4 238 ? 40.331 -55.814 -19.139 0.40 47.31 ? 248 THR D CG2 1 +ATOM 15109 C CG2 B THR D 4 238 ? 40.271 -55.857 -19.210 0.60 47.17 ? 248 THR D CG2 1 +ATOM 15110 N N A ALA D 4 239 ? 37.027 -54.398 -18.749 0.40 46.63 ? 249 ALA D N 1 +ATOM 15111 N N B ALA D 4 239 ? 37.027 -54.356 -18.793 0.60 46.60 ? 249 ALA D N 1 +ATOM 15112 C CA A ALA D 4 239 ? 36.222 -53.686 -19.746 0.40 49.17 ? 249 ALA D CA 1 +ATOM 15113 C CA B ALA D 4 239 ? 36.256 -53.648 -19.812 0.60 49.19 ? 249 ALA D CA 1 +ATOM 15114 C C A ALA D 4 239 ? 36.104 -52.201 -19.405 0.40 49.63 ? 249 ALA D C 1 +ATOM 15115 C C B ALA D 4 239 ? 36.127 -52.170 -19.463 0.60 49.67 ? 249 ALA D C 1 +ATOM 15116 O O A ALA D 4 239 ? 36.271 -51.331 -20.274 0.40 46.28 ? 249 ALA D O 1 +ATOM 15117 O O B ALA D 4 239 ? 36.322 -51.294 -20.316 0.60 46.29 ? 249 ALA D O 1 +ATOM 15118 C CB A ALA D 4 239 ? 34.830 -54.321 -19.845 0.40 42.36 ? 249 ALA D CB 1 +ATOM 15119 C CB B ALA D 4 239 ? 34.874 -54.287 -19.962 0.60 42.50 ? 249 ALA D CB 1 +ATOM 15120 N N A ASN D 4 240 ? 35.847 -51.898 -18.130 0.40 45.46 ? 250 ASN D N 1 +ATOM 15121 N N B ASN D 4 240 ? 35.804 -51.881 -18.200 0.60 45.39 ? 250 ASN D N 1 +ATOM 15122 C CA A ASN D 4 240 ? 35.713 -50.512 -17.697 0.40 46.51 ? 250 ASN D CA 1 +ATOM 15123 C CA B ASN D 4 240 ? 35.695 -50.500 -17.760 0.60 46.39 ? 250 ASN D CA 1 +ATOM 15124 C C A ASN D 4 240 ? 37.012 -49.734 -17.883 0.40 50.89 ? 250 ASN D C 1 +ATOM 15125 C C B ASN D 4 240 ? 37.009 -49.752 -17.929 0.60 50.97 ? 250 ASN D C 1 +ATOM 15126 O O A ASN D 4 240 ? 36.995 -48.577 -18.331 0.40 52.11 ? 250 ASN D O 1 +ATOM 15127 O O B ASN D 4 240 ? 37.012 -48.571 -18.309 0.60 52.31 ? 250 ASN D O 1 +ATOM 15128 C CB A ASN D 4 240 ? 35.269 -50.461 -16.238 0.40 46.36 ? 250 ASN D CB 1 +ATOM 15129 C CB B ASN D 4 240 ? 35.237 -50.443 -16.303 0.60 46.29 ? 250 ASN D CB 1 +ATOM 15130 C CG A ASN D 4 240 ? 35.246 -49.038 -15.674 0.40 50.83 ? 250 ASN D CG 1 +ATOM 15131 C CG B ASN D 4 240 ? 35.258 -49.032 -15.746 0.60 50.90 ? 250 ASN D CG 1 +ATOM 15132 O OD1 A ASN D 4 240 ? 36.282 -48.489 -15.285 0.40 49.91 ? 250 ASN D OD1 1 +ATOM 15133 O OD1 B ASN D 4 240 ? 36.294 -48.550 -15.294 0.60 49.93 ? 250 ASN D OD1 1 +ATOM 15134 N ND2 A ASN D 4 240 ? 34.054 -48.443 -15.621 0.40 49.89 ? 250 ASN D ND2 1 +ATOM 15135 N ND2 B ASN D 4 240 ? 34.112 -48.360 -15.783 0.60 50.05 ? 250 ASN D ND2 1 +ATOM 15136 N N A ARG D 4 241 ? 38.154 -50.334 -17.535 0.40 48.50 ? 251 ARG D N 1 +ATOM 15137 N N B ARG D 4 241 ? 38.141 -50.396 -17.637 0.60 48.47 ? 251 ARG D N 1 +ATOM 15138 C CA A ARG D 4 241 ? 39.401 -49.593 -17.703 0.40 54.48 ? 251 ARG D CA 1 +ATOM 15139 C CA B ARG D 4 241 ? 39.394 -49.659 -17.777 0.60 54.60 ? 251 ARG D CA 1 +ATOM 15140 C C A ARG D 4 241 ? 39.711 -49.357 -19.174 0.40 48.22 ? 251 ARG D C 1 +ATOM 15141 C C B ARG D 4 241 ? 39.737 -49.423 -19.240 0.60 48.25 ? 251 ARG D C 1 +ATOM 15142 O O A ARG D 4 241 ? 40.162 -48.270 -19.548 0.40 49.50 ? 251 ARG D O 1 +ATOM 15143 O O B ARG D 4 241 ? 40.254 -48.357 -19.595 0.60 49.72 ? 251 ARG D O 1 +ATOM 15144 C CB A ARG D 4 241 ? 40.575 -50.307 -17.047 0.40 46.89 ? 251 ARG D CB 1 +ATOM 15145 C CB B ARG D 4 241 ? 40.550 -50.368 -17.087 0.60 46.66 ? 251 ARG D CB 1 +ATOM 15146 C CG A ARG D 4 241 ? 41.686 -49.310 -16.726 0.40 53.30 ? 251 ARG D CG 1 +ATOM 15147 C CG B ARG D 4 241 ? 41.687 -49.393 -16.835 0.60 53.35 ? 251 ARG D CG 1 +ATOM 15148 C CD A ARG D 4 241 ? 42.998 -50.004 -16.541 0.40 68.12 ? 251 ARG D CD 1 +ATOM 15149 C CD B ARG D 4 241 ? 42.962 -50.102 -16.511 0.60 68.51 ? 251 ARG D CD 1 +ATOM 15150 N NE A ARG D 4 241 ? 44.097 -49.084 -16.269 0.40 62.28 ? 251 ARG D NE 1 +ATOM 15151 N NE B ARG D 4 241 ? 44.083 -49.195 -16.288 0.60 62.82 ? 251 ARG D NE 1 +ATOM 15152 C CZ A ARG D 4 241 ? 44.461 -48.681 -15.060 0.40 55.35 ? 251 ARG D CZ 1 +ATOM 15153 C CZ B ARG D 4 241 ? 44.424 -48.696 -15.108 0.60 55.36 ? 251 ARG D CZ 1 +ATOM 15154 N NH1 A ARG D 4 241 ? 43.708 -48.913 -13.994 0.40 52.00 ? 251 ARG D NH1 1 +ATOM 15155 N NH1 B ARG D 4 241 ? 43.655 -48.852 -14.043 0.60 51.83 ? 251 ARG D NH1 1 +ATOM 15156 N NH2 A ARG D 4 241 ? 45.620 -48.050 -14.915 0.40 51.67 ? 251 ARG D NH2 1 +ATOM 15157 N NH2 B ARG D 4 241 ? 45.573 -48.042 -14.993 0.60 51.52 ? 251 ARG D NH2 1 +ATOM 15158 N N A PHE D 4 242 ? 39.517 -50.378 -20.011 0.40 49.95 ? 252 PHE D N 1 +ATOM 15159 N N B PHE D 4 242 ? 39.483 -50.417 -20.094 0.60 49.99 ? 252 PHE D N 1 +ATOM 15160 C CA A PHE D 4 242 ? 39.776 -50.232 -21.432 0.40 46.44 ? 252 PHE D CA 1 +ATOM 15161 C CA B PHE D 4 242 ? 39.716 -50.249 -21.521 0.60 46.50 ? 252 PHE D CA 1 +ATOM 15162 C C A PHE D 4 242 ? 38.986 -49.060 -22.009 0.40 47.46 ? 252 PHE D C 1 +ATOM 15163 C C B PHE D 4 242 ? 38.959 -49.038 -22.057 0.60 47.52 ? 252 PHE D C 1 +ATOM 15164 O O A PHE D 4 242 ? 39.546 -48.172 -22.669 0.40 48.46 ? 252 PHE D O 1 +ATOM 15165 O O B PHE D 4 242 ? 39.547 -48.147 -22.683 0.60 48.54 ? 252 PHE D O 1 +ATOM 15166 C CB A PHE D 4 242 ? 39.427 -51.538 -22.153 0.40 43.41 ? 252 PHE D CB 1 +ATOM 15167 C CB B PHE D 4 242 ? 39.307 -51.521 -22.269 0.60 43.06 ? 252 PHE D CB 1 +ATOM 15168 C CG A PHE D 4 242 ? 39.531 -51.437 -23.643 0.40 47.24 ? 252 PHE D CG 1 +ATOM 15169 C CG B PHE D 4 242 ? 39.437 -51.407 -23.757 0.60 47.48 ? 252 PHE D CG 1 +ATOM 15170 C CD1 A PHE D 4 242 ? 40.763 -51.604 -24.285 0.40 45.15 ? 252 PHE D CD1 1 +ATOM 15171 C CD1 B PHE D 4 242 ? 40.681 -51.558 -24.372 0.60 45.19 ? 252 PHE D CD1 1 +ATOM 15172 C CD2 A PHE D 4 242 ? 38.399 -51.160 -24.414 0.40 47.51 ? 252 PHE D CD2 1 +ATOM 15173 C CD2 B PHE D 4 242 ? 38.325 -51.130 -24.547 0.60 47.62 ? 252 PHE D CD2 1 +ATOM 15174 C CE1 A PHE D 4 242 ? 40.866 -51.506 -25.683 0.40 44.65 ? 252 PHE D CE1 1 +ATOM 15175 C CE1 B PHE D 4 242 ? 40.815 -51.446 -25.749 0.60 44.73 ? 252 PHE D CE1 1 +ATOM 15176 C CE2 A PHE D 4 242 ? 38.491 -51.046 -25.804 0.40 47.13 ? 252 PHE D CE2 1 +ATOM 15177 C CE2 B PHE D 4 242 ? 38.450 -51.009 -25.929 0.60 46.95 ? 252 PHE D CE2 1 +ATOM 15178 C CZ A PHE D 4 242 ? 39.725 -51.226 -26.438 0.40 48.47 ? 252 PHE D CZ 1 +ATOM 15179 C CZ B PHE D 4 242 ? 39.695 -51.169 -26.530 0.60 48.41 ? 252 PHE D CZ 1 +ATOM 15180 N N A TRP D 4 243 ? 37.682 -49.020 -21.744 0.40 46.14 ? 253 TRP D N 1 +ATOM 15181 N N B TRP D 4 243 ? 37.654 -48.968 -21.792 0.60 46.30 ? 253 TRP D N 1 +ATOM 15182 C CA A TRP D 4 243 ? 36.876 -47.981 -22.373 0.40 48.02 ? 253 TRP D CA 1 +ATOM 15183 C CA B TRP D 4 243 ? 36.872 -47.912 -22.425 0.60 47.86 ? 253 TRP D CA 1 +ATOM 15184 C C A TRP D 4 243 ? 37.132 -46.611 -21.749 0.40 50.39 ? 253 TRP D C 1 +ATOM 15185 C C B TRP D 4 243 ? 37.128 -46.549 -21.789 0.60 50.47 ? 253 TRP D C 1 +ATOM 15186 O O A TRP D 4 243 ? 37.088 -45.597 -22.454 0.40 44.56 ? 253 TRP D O 1 +ATOM 15187 O O B TRP D 4 243 ? 37.090 -45.531 -22.491 0.60 44.45 ? 253 TRP D O 1 +ATOM 15188 C CB A TRP D 4 243 ? 35.400 -48.376 -22.319 0.40 45.20 ? 253 TRP D CB 1 +ATOM 15189 C CB B TRP D 4 243 ? 35.388 -48.277 -22.408 0.60 45.02 ? 253 TRP D CB 1 +ATOM 15190 C CG A TRP D 4 243 ? 35.067 -49.392 -23.390 0.40 47.03 ? 253 TRP D CG 1 +ATOM 15191 C CG B TRP D 4 243 ? 35.061 -49.326 -23.441 0.60 47.04 ? 253 TRP D CG 1 +ATOM 15192 C CD1 A TRP D 4 243 ? 34.648 -50.686 -23.212 0.40 48.59 ? 253 TRP D CD1 1 +ATOM 15193 C CD1 B TRP D 4 243 ? 34.614 -50.595 -23.213 0.60 48.55 ? 253 TRP D CD1 1 +ATOM 15194 C CD2 A TRP D 4 243 ? 35.179 -49.200 -24.806 0.40 49.79 ? 253 TRP D CD2 1 +ATOM 15195 C CD2 B TRP D 4 243 ? 35.197 -49.201 -24.868 0.60 49.79 ? 253 TRP D CD2 1 +ATOM 15196 N NE1 A TRP D 4 243 ? 34.463 -51.291 -24.439 0.40 45.48 ? 253 TRP D NE1 1 +ATOM 15197 N NE1 B TRP D 4 243 ? 34.448 -51.265 -24.409 0.60 45.45 ? 253 TRP D NE1 1 +ATOM 15198 C CE2 A TRP D 4 243 ? 34.783 -50.399 -25.428 0.40 47.09 ? 253 TRP D CE2 1 +ATOM 15199 C CE2 B TRP D 4 243 ? 34.796 -50.427 -25.437 0.60 47.07 ? 253 TRP D CE2 1 +ATOM 15200 C CE3 A TRP D 4 243 ? 35.542 -48.110 -25.612 0.40 51.13 ? 253 TRP D CE3 1 +ATOM 15201 C CE3 B TRP D 4 243 ? 35.596 -48.160 -25.720 0.60 51.48 ? 253 TRP D CE3 1 +ATOM 15202 C CZ2 A TRP D 4 243 ? 34.757 -50.546 -26.812 0.40 46.12 ? 253 TRP D CZ2 1 +ATOM 15203 C CZ2 B TRP D 4 243 ? 34.798 -50.647 -26.813 0.60 46.17 ? 253 TRP D CZ2 1 +ATOM 15204 C CZ3 A TRP D 4 243 ? 35.524 -48.267 -26.988 0.40 48.12 ? 253 TRP D CZ3 1 +ATOM 15205 C CZ3 B TRP D 4 243 ? 35.597 -48.386 -27.092 0.60 47.87 ? 253 TRP D CZ3 1 +ATOM 15206 C CH2 A TRP D 4 243 ? 35.131 -49.470 -27.569 0.40 47.71 ? 253 TRP D CH2 1 +ATOM 15207 C CH2 B TRP D 4 243 ? 35.199 -49.621 -27.618 0.60 47.69 ? 253 TRP D CH2 1 +ATOM 15208 N N A SER D 4 244 ? 37.405 -46.556 -20.439 0.40 48.43 ? 254 SER D N 1 +ATOM 15209 N N B SER D 4 244 ? 37.398 -46.498 -20.477 0.60 48.49 ? 254 SER D N 1 +ATOM 15210 C CA A SER D 4 244 ? 37.733 -45.278 -19.815 0.40 46.00 ? 254 SER D CA 1 +ATOM 15211 C CA B SER D 4 244 ? 37.755 -45.221 -19.868 0.60 45.89 ? 254 SER D CA 1 +ATOM 15212 C C A SER D 4 244 ? 38.965 -44.672 -20.456 0.40 45.92 ? 254 SER D C 1 +ATOM 15213 C C B SER D 4 244 ? 38.996 -44.641 -20.525 0.60 45.82 ? 254 SER D C 1 +ATOM 15214 O O A SER D 4 244 ? 39.026 -43.457 -20.675 0.40 50.92 ? 254 SER D O 1 +ATOM 15215 O O B SER D 4 244 ? 39.069 -43.433 -20.774 0.60 51.13 ? 254 SER D O 1 +ATOM 15216 C CB A SER D 4 244 ? 37.960 -45.447 -18.311 0.40 45.44 ? 254 SER D CB 1 +ATOM 15217 C CB B SER D 4 244 ? 37.985 -45.376 -18.360 0.60 45.24 ? 254 SER D CB 1 +ATOM 15218 O OG A SER D 4 244 ? 36.796 -45.917 -17.649 0.40 50.13 ? 254 SER D OG 1 +ATOM 15219 O OG B SER D 4 244 ? 36.855 -45.945 -17.707 0.60 50.29 ? 254 SER D OG 1 +ATOM 15220 N N A GLN D 4 245 ? 39.949 -45.508 -20.791 0.40 51.04 ? 255 GLN D N 1 +ATOM 15221 N N B GLN D 4 245 ? 39.979 -45.491 -20.835 0.60 51.17 ? 255 GLN D N 1 +ATOM 15222 C CA A GLN D 4 245 ? 41.189 -44.994 -21.367 0.40 48.23 ? 255 GLN D CA 1 +ATOM 15223 C CA B GLN D 4 245 ? 41.235 -44.995 -21.384 0.60 48.19 ? 255 GLN D CA 1 +ATOM 15224 C C A GLN D 4 245 ? 41.093 -44.769 -22.874 0.40 47.06 ? 255 GLN D C 1 +ATOM 15225 C C B GLN D 4 245 ? 41.167 -44.785 -22.894 0.60 47.07 ? 255 GLN D C 1 +ATOM 15226 O O A GLN D 4 245 ? 41.835 -43.949 -23.419 0.40 50.08 ? 255 GLN D O 1 +ATOM 15227 O O B GLN D 4 245 ? 41.945 -43.992 -23.436 0.60 50.36 ? 255 GLN D O 1 +ATOM 15228 C CB A GLN D 4 245 ? 42.342 -45.945 -21.040 0.40 51.51 ? 255 GLN D CB 1 +ATOM 15229 C CB B GLN D 4 245 ? 42.377 -45.952 -21.031 0.60 51.57 ? 255 GLN D CB 1 +ATOM 15230 C CG A GLN D 4 245 ? 42.655 -46.037 -19.539 0.40 59.14 ? 255 GLN D CG 1 +ATOM 15231 C CG B GLN D 4 245 ? 42.669 -46.049 -19.542 0.60 59.31 ? 255 GLN D CG 1 +ATOM 15232 C CD A GLN D 4 245 ? 43.859 -46.927 -19.244 0.40 55.35 ? 255 GLN D CD 1 +ATOM 15233 C CD B GLN D 4 245 ? 43.896 -46.902 -19.245 0.60 55.38 ? 255 GLN D CD 1 +ATOM 15234 O OE1 A GLN D 4 245 ? 43.729 -48.143 -19.113 0.40 57.34 ? 255 GLN D OE1 1 +ATOM 15235 O OE1 B GLN D 4 245 ? 43.796 -48.120 -19.090 0.60 57.43 ? 255 GLN D OE1 1 +ATOM 15236 N NE2 A GLN D 4 245 ? 45.038 -46.325 -19.171 0.40 53.37 ? 255 GLN D NE2 1 +ATOM 15237 N NE2 B GLN D 4 245 ? 45.060 -46.265 -19.180 0.60 53.40 ? 255 GLN D NE2 1 +ATOM 15238 N N A ILE D 4 246 ? 40.225 -45.501 -23.568 0.40 49.41 ? 256 ILE D N 1 +ATOM 15239 N N B ILE D 4 246 ? 40.275 -45.496 -23.589 0.60 49.47 ? 256 ILE D N 1 +ATOM 15240 C CA A ILE D 4 246 ? 40.092 -45.338 -25.013 0.40 48.36 ? 256 ILE D CA 1 +ATOM 15241 C CA B ILE D 4 246 ? 40.127 -45.325 -25.031 0.60 48.30 ? 256 ILE D CA 1 +ATOM 15242 C C A ILE D 4 246 ? 39.213 -44.137 -25.327 0.40 53.82 ? 256 ILE D C 1 +ATOM 15243 C C B ILE D 4 246 ? 39.222 -44.140 -25.341 0.60 54.03 ? 256 ILE D C 1 +ATOM 15244 O O A ILE D 4 246 ? 39.566 -43.281 -26.143 0.40 47.81 ? 256 ILE D O 1 +ATOM 15245 O O B ILE D 4 246 ? 39.554 -43.279 -26.164 0.60 47.82 ? 256 ILE D O 1 +ATOM 15246 C CB A ILE D 4 246 ? 39.521 -46.629 -25.637 0.40 49.25 ? 256 ILE D CB 1 +ATOM 15247 C CB B ILE D 4 246 ? 39.582 -46.626 -25.658 0.60 49.35 ? 256 ILE D CB 1 +ATOM 15248 C CG1 A ILE D 4 246 ? 40.567 -47.752 -25.608 0.40 51.25 ? 256 ILE D CG1 1 +ATOM 15249 C CG1 B ILE D 4 246 ? 40.653 -47.718 -25.643 0.60 51.41 ? 256 ILE D CG1 1 +ATOM 15250 C CG2 A ILE D 4 246 ? 38.989 -46.371 -27.061 0.40 47.03 ? 256 ILE D CG2 1 +ATOM 15251 C CG2 B ILE D 4 246 ? 39.047 -46.365 -27.074 0.60 47.04 ? 256 ILE D CG2 1 +ATOM 15252 C CD1 A ILE D 4 246 ? 41.784 -47.481 -26.476 0.40 42.99 ? 256 ILE D CD1 1 +ATOM 15253 C CD1 B ILE D 4 246 ? 41.878 -47.393 -26.484 0.60 42.70 ? 256 ILE D CD1 1 +ATOM 15254 N N A PHE D 4 247 ? 38.086 -44.035 -24.626 0.40 51.72 ? 257 PHE D N 1 +ATOM 15255 N N B PHE D 4 247 ? 38.085 -44.069 -24.652 0.60 51.85 ? 257 PHE D N 1 +ATOM 15256 C CA A PHE D 4 247 ? 36.984 -43.161 -24.980 0.40 52.90 ? 257 PHE D CA 1 +ATOM 15257 C CA B PHE D 4 247 ? 36.989 -43.180 -24.991 0.60 52.99 ? 257 PHE D CA 1 +ATOM 15258 C C A PHE D 4 247 ? 36.683 -42.109 -23.917 0.40 50.86 ? 257 PHE D C 1 +ATOM 15259 C C B PHE D 4 247 ? 36.731 -42.089 -23.951 0.60 50.88 ? 257 PHE D C 1 +ATOM 15260 O O A PHE D 4 247 ? 35.905 -41.187 -24.187 0.40 56.00 ? 257 PHE D O 1 +ATOM 15261 O O B PHE D 4 247 ? 36.032 -41.118 -24.262 0.60 56.49 ? 257 PHE D O 1 +ATOM 15262 C CB A PHE D 4 247 ? 35.733 -44.020 -25.233 0.40 46.96 ? 257 PHE D CB 1 +ATOM 15263 C CB B PHE D 4 247 ? 35.716 -44.021 -25.194 0.60 46.93 ? 257 PHE D CB 1 +ATOM 15264 C CG A PHE D 4 247 ? 34.569 -43.271 -25.800 0.40 47.70 ? 257 PHE D CG 1 +ATOM 15265 C CG B PHE D 4 247 ? 34.573 -43.269 -25.799 0.60 47.72 ? 257 PHE D CG 1 +ATOM 15266 C CD1 A PHE D 4 247 ? 34.656 -42.654 -27.034 0.40 48.42 ? 257 PHE D CD1 1 +ATOM 15267 C CD1 B PHE D 4 247 ? 34.723 -42.610 -27.002 0.60 48.42 ? 257 PHE D CD1 1 +ATOM 15268 C CD2 A PHE D 4 247 ? 33.366 -43.234 -25.119 0.40 49.32 ? 257 PHE D CD2 1 +ATOM 15269 C CD2 B PHE D 4 247 ? 33.339 -43.249 -25.174 0.60 49.37 ? 257 PHE D CD2 1 +ATOM 15270 C CE1 A PHE D 4 247 ? 33.575 -41.989 -27.569 0.40 47.85 ? 257 PHE D CE1 1 +ATOM 15271 C CE1 B PHE D 4 247 ? 33.667 -41.929 -27.569 0.60 47.87 ? 257 PHE D CE1 1 +ATOM 15272 C CE2 A PHE D 4 247 ? 32.281 -42.566 -25.644 0.40 46.82 ? 257 PHE D CE2 1 +ATOM 15273 C CE2 B PHE D 4 247 ? 32.280 -42.565 -25.727 0.60 46.79 ? 257 PHE D CE2 1 +ATOM 15274 C CZ A PHE D 4 247 ? 32.384 -41.950 -26.873 0.40 47.67 ? 257 PHE D CZ 1 +ATOM 15275 C CZ B PHE D 4 247 ? 32.442 -41.905 -26.928 0.60 47.66 ? 257 PHE D CZ 1 +ATOM 15276 N N . GLY D 4 248 ? 37.274 -42.212 -22.736 1.00 47.07 ? 258 GLY D N 1 +ATOM 15277 C CA . GLY D 4 248 ? 37.093 -41.196 -21.707 1.00 42.59 ? 258 GLY D CA 1 +ATOM 15278 C C . GLY D 4 248 ? 36.098 -41.633 -20.655 1.00 46.95 ? 258 GLY D C 1 +ATOM 15279 O O . GLY D 4 248 ? 36.323 -41.446 -19.459 1.00 50.70 ? 258 GLY D O 1 +ATOM 15280 N N A ILE D 4 249 ? 34.973 -42.212 -21.080 0.40 50.85 ? 259 ILE D N 1 +ATOM 15281 N N B ILE D 4 249 ? 35.006 -42.252 -21.096 0.60 50.79 ? 259 ILE D N 1 +ATOM 15282 C CA A ILE D 4 249 ? 33.964 -42.711 -20.156 0.40 51.32 ? 259 ILE D CA 1 +ATOM 15283 C CA B ILE D 4 249 ? 33.973 -42.724 -20.187 0.60 51.32 ? 259 ILE D CA 1 +ATOM 15284 C C A ILE D 4 249 ? 33.672 -44.173 -20.465 0.40 56.13 ? 259 ILE D C 1 +ATOM 15285 C C B ILE D 4 249 ? 33.686 -44.184 -20.495 0.60 56.34 ? 259 ILE D C 1 +ATOM 15286 O O A ILE D 4 249 ? 33.957 -44.684 -21.554 0.40 53.91 ? 259 ILE D O 1 +ATOM 15287 O O B ILE D 4 249 ? 33.973 -44.689 -21.584 0.60 54.03 ? 259 ILE D O 1 +ATOM 15288 C CB A ILE D 4 249 ? 32.660 -41.886 -20.199 0.40 57.31 ? 259 ILE D CB 1 +ATOM 15289 C CB B ILE D 4 249 ? 32.682 -41.883 -20.272 0.60 57.43 ? 259 ILE D CB 1 +ATOM 15290 C CG1 A ILE D 4 249 ? 32.101 -41.838 -21.617 0.40 52.84 ? 259 ILE D CG1 1 +ATOM 15291 C CG1 B ILE D 4 249 ? 32.128 -41.876 -21.695 0.60 52.80 ? 259 ILE D CG1 1 +ATOM 15292 C CG2 A ILE D 4 249 ? 32.903 -40.475 -19.692 0.40 53.34 ? 259 ILE D CG2 1 +ATOM 15293 C CG2 B ILE D 4 249 ? 32.939 -40.457 -19.797 0.60 53.27 ? 259 ILE D CG2 1 +ATOM 15294 C CD1 A ILE D 4 249 ? 30.772 -42.493 -21.754 0.40 62.06 ? 259 ILE D CD1 1 +ATOM 15295 C CD1 B ILE D 4 249 ? 30.936 -42.775 -21.881 0.60 63.44 ? 259 ILE D CD1 1 +ATOM 15296 N N A ALA D 4 250 ? 33.083 -44.841 -19.480 0.40 48.31 ? 260 ALA D N 1 +ATOM 15297 N N B ALA D 4 250 ? 33.104 -44.859 -19.511 0.60 48.24 ? 260 ALA D N 1 +ATOM 15298 C CA A ALA D 4 250 ? 32.728 -46.238 -19.619 0.40 47.02 ? 260 ALA D CA 1 +ATOM 15299 C CA B ALA D 4 250 ? 32.816 -46.276 -19.631 0.60 47.02 ? 260 ALA D CA 1 +ATOM 15300 C C A ALA D 4 250 ? 31.556 -46.534 -18.701 0.40 48.58 ? 260 ALA D C 1 +ATOM 15301 C C B ALA D 4 250 ? 31.641 -46.613 -18.730 0.60 48.55 ? 260 ALA D C 1 +ATOM 15302 O O A ALA D 4 250 ? 31.320 -45.832 -17.713 0.40 51.34 ? 260 ALA D O 1 +ATOM 15303 O O B ALA D 4 250 ? 31.363 -45.915 -17.754 0.60 51.40 ? 260 ALA D O 1 +ATOM 15304 C CB A ALA D 4 250 ? 33.929 -47.140 -19.308 0.40 46.92 ? 260 ALA D CB 1 +ATOM 15305 C CB B ALA D 4 250 ? 34.045 -47.121 -19.270 0.60 46.76 ? 260 ALA D CB 1 +ATOM 15306 N N A PHE D 4 251 ? 30.797 -47.561 -19.053 0.40 47.71 ? 261 PHE D N 1 +ATOM 15307 N N B PHE D 4 251 ? 30.932 -47.678 -19.078 0.60 47.52 ? 261 PHE D N 1 +ATOM 15308 C CA A PHE D 4 251 ? 29.862 -48.123 -18.093 0.40 47.70 ? 261 PHE D CA 1 +ATOM 15309 C CA B PHE D 4 251 ? 29.954 -48.223 -18.150 0.60 47.71 ? 261 PHE D CA 1 +ATOM 15310 C C A PHE D 4 251 ? 30.621 -48.698 -16.902 0.40 54.46 ? 261 PHE D C 1 +ATOM 15311 C C B PHE D 4 251 ? 30.662 -48.781 -16.919 0.60 54.61 ? 261 PHE D C 1 +ATOM 15312 O O A PHE D 4 251 ? 31.701 -49.279 -17.049 0.40 49.23 ? 261 PHE D O 1 +ATOM 15313 O O B PHE D 4 251 ? 31.744 -49.370 -17.014 0.60 49.18 ? 261 PHE D O 1 +ATOM 15314 C CB A PHE D 4 251 ? 29.025 -49.231 -18.734 0.40 48.18 ? 261 PHE D CB 1 +ATOM 15315 C CB B PHE D 4 251 ? 29.132 -49.332 -18.806 0.60 48.12 ? 261 PHE D CB 1 +ATOM 15316 C CG A PHE D 4 251 ? 28.016 -48.745 -19.723 0.40 48.82 ? 261 PHE D CG 1 +ATOM 15317 C CG B PHE D 4 251 ? 28.105 -48.847 -19.783 0.60 48.96 ? 261 PHE D CG 1 +ATOM 15318 C CD1 A PHE D 4 251 ? 26.803 -48.205 -19.295 0.40 48.42 ? 261 PHE D CD1 1 +ATOM 15319 C CD1 B PHE D 4 251 ? 26.930 -48.257 -19.342 0.60 48.47 ? 261 PHE D CD1 1 +ATOM 15320 C CD2 A PHE D 4 251 ? 28.252 -48.874 -21.081 0.40 47.78 ? 261 PHE D CD2 1 +ATOM 15321 C CD2 B PHE D 4 251 ? 28.294 -49.034 -21.148 0.60 47.46 ? 261 PHE D CD2 1 +ATOM 15322 C CE1 A PHE D 4 251 ? 25.853 -47.765 -20.220 0.40 48.98 ? 261 PHE D CE1 1 +ATOM 15323 C CE1 B PHE D 4 251 ? 25.968 -47.822 -20.250 0.60 49.17 ? 261 PHE D CE1 1 +ATOM 15324 C CE2 A PHE D 4 251 ? 27.305 -48.445 -22.014 0.40 51.60 ? 261 PHE D CE2 1 +ATOM 15325 C CE2 B PHE D 4 251 ? 27.341 -48.611 -22.060 0.60 51.59 ? 261 PHE D CE2 1 +ATOM 15326 C CZ A PHE D 4 251 ? 26.108 -47.884 -21.585 0.40 45.20 ? 261 PHE D CZ 1 +ATOM 15327 C CZ B PHE D 4 251 ? 26.177 -47.997 -21.616 0.60 45.30 ? 261 PHE D CZ 1 +ATOM 15328 N N A SER D 4 252 ? 30.053 -48.537 -15.713 0.40 50.58 ? 262 SER D N 1 +ATOM 15329 N N B SER D 4 252 ? 30.045 -48.593 -15.757 0.60 50.61 ? 262 SER D N 1 +ATOM 15330 C CA A SER D 4 252 ? 30.507 -49.280 -14.552 0.40 52.59 ? 262 SER D CA 1 +ATOM 15331 C CA B SER D 4 252 ? 30.474 -49.271 -14.549 0.60 52.68 ? 262 SER D CA 1 +ATOM 15332 C C A SER D 4 252 ? 29.406 -50.129 -13.946 0.40 55.03 ? 262 SER D C 1 +ATOM 15333 C C B SER D 4 252 ? 29.359 -50.078 -13.900 0.60 55.13 ? 262 SER D C 1 +ATOM 15334 O O A SER D 4 252 ? 29.699 -50.987 -13.109 0.40 55.41 ? 262 SER D O 1 +ATOM 15335 O O B SER D 4 252 ? 29.646 -50.917 -13.037 0.60 55.67 ? 262 SER D O 1 +ATOM 15336 C CB A SER D 4 252 ? 31.058 -48.333 -13.476 0.40 45.19 ? 262 SER D CB 1 +ATOM 15337 C CB B SER D 4 252 ? 31.024 -48.261 -13.527 0.60 44.96 ? 262 SER D CB 1 +ATOM 15338 O OG A SER D 4 252 ? 30.001 -47.603 -12.888 0.40 48.91 ? 262 SER D OG 1 +ATOM 15339 O OG B SER D 4 252 ? 29.964 -47.548 -12.924 0.60 48.87 ? 262 SER D OG 1 +ATOM 15340 N N A ASN D 4 253 ? 28.155 -49.920 -14.340 0.40 52.41 ? 263 ASN D N 1 +ATOM 15341 N N B ASN D 4 253 ? 28.104 -49.858 -14.290 0.60 52.39 ? 263 ASN D N 1 +ATOM 15342 C CA A ASN D 4 253 ? 27.018 -50.629 -13.770 0.40 50.68 ? 263 ASN D CA 1 +ATOM 15343 C CA B ASN D 4 253 ? 26.957 -50.560 -13.723 0.60 50.66 ? 263 ASN D CA 1 +ATOM 15344 C C A ASN D 4 253 ? 26.390 -51.474 -14.867 0.40 54.11 ? 263 ASN D C 1 +ATOM 15345 C C B ASN D 4 253 ? 26.309 -51.406 -14.812 0.60 54.14 ? 263 ASN D C 1 +ATOM 15346 O O A ASN D 4 253 ? 25.914 -50.935 -15.872 0.40 49.95 ? 263 ASN D O 1 +ATOM 15347 O O B ASN D 4 253 ? 25.758 -50.869 -15.778 0.60 49.70 ? 263 ASN D O 1 +ATOM 15348 C CB A ASN D 4 253 ? 26.005 -49.650 -13.176 0.40 48.53 ? 263 ASN D CB 1 +ATOM 15349 C CB B ASN D 4 253 ? 25.956 -49.577 -13.121 0.60 48.33 ? 263 ASN D CB 1 +ATOM 15350 C CG A ASN D 4 253 ? 24.868 -50.355 -12.460 0.40 52.60 ? 263 ASN D CG 1 +ATOM 15351 C CG B ASN D 4 253 ? 24.844 -50.278 -12.372 0.60 52.56 ? 263 ASN D CG 1 +ATOM 15352 O OD1 A ASN D 4 253 ? 24.191 -51.222 -13.024 0.40 53.56 ? 263 ASN D OD1 1 +ATOM 15353 O OD1 B ASN D 4 253 ? 24.129 -51.119 -12.926 0.60 54.14 ? 263 ASN D OD1 1 +ATOM 15354 N ND2 A ASN D 4 253 ? 24.662 -49.999 -11.210 0.40 50.31 ? 263 ASN D ND2 1 +ATOM 15355 N ND2 B ASN D 4 253 ? 24.704 -49.951 -11.102 0.60 50.33 ? 263 ASN D ND2 1 +ATOM 15356 N N A LYS D 4 254 ? 26.393 -52.798 -14.665 0.40 55.55 ? 264 LYS D N 1 +ATOM 15357 N N B LYS D 4 254 ? 26.346 -52.730 -14.627 0.60 55.59 ? 264 LYS D N 1 +ATOM 15358 C CA A LYS D 4 254 ? 25.932 -53.723 -15.695 0.40 55.11 ? 264 LYS D CA 1 +ATOM 15359 C CA B LYS D 4 254 ? 25.904 -53.659 -15.666 0.60 55.20 ? 264 LYS D CA 1 +ATOM 15360 C C A LYS D 4 254 ? 24.415 -53.686 -15.834 0.40 48.02 ? 264 LYS D C 1 +ATOM 15361 C C B LYS D 4 254 ? 24.385 -53.665 -15.806 0.60 47.91 ? 264 LYS D C 1 +ATOM 15362 O O A LYS D 4 254 ? 23.883 -53.968 -16.910 0.40 51.28 ? 264 LYS D O 1 +ATOM 15363 O O B LYS D 4 254 ? 23.862 -54.000 -16.873 0.60 51.35 ? 264 LYS D O 1 +ATOM 15364 C CB A LYS D 4 254 ? 26.437 -55.135 -15.360 0.40 55.32 ? 264 LYS D CB 1 +ATOM 15365 C CB B LYS D 4 254 ? 26.435 -55.061 -15.347 0.60 55.33 ? 264 LYS D CB 1 +ATOM 15366 C CG A LYS D 4 254 ? 26.041 -56.202 -16.324 0.40 67.13 ? 264 LYS D CG 1 +ATOM 15367 C CG B LYS D 4 254 ? 26.004 -56.132 -16.305 0.60 67.09 ? 264 LYS D CG 1 +ATOM 15368 C CD A LYS D 4 254 ? 26.430 -57.592 -15.817 0.40 75.06 ? 264 LYS D CD 1 +ATOM 15369 C CD B LYS D 4 254 ? 26.430 -57.514 -15.831 0.60 75.33 ? 264 LYS D CD 1 +ATOM 15370 C CE A LYS D 4 254 ? 27.920 -57.698 -15.509 0.40 74.68 ? 264 LYS D CE 1 +ATOM 15371 C CE B LYS D 4 254 ? 27.930 -57.578 -15.570 0.60 74.75 ? 264 LYS D CE 1 +ATOM 15372 N NZ A LYS D 4 254 ? 28.301 -59.139 -15.299 0.40 81.33 ? 264 LYS D NZ 1 +ATOM 15373 N NZ B LYS D 4 254 ? 28.391 -58.998 -15.421 0.60 82.38 ? 264 LYS D NZ 1 +ATOM 15374 N N A ARG D 4 255 ? 23.704 -53.348 -14.764 0.40 44.67 ? 265 ARG D N 1 +ATOM 15375 N N B ARG D 4 255 ? 23.663 -53.300 -14.747 0.60 44.56 ? 265 ARG D N 1 +ATOM 15376 C CA A ARG D 4 255 ? 22.256 -53.218 -14.868 0.40 54.53 ? 265 ARG D CA 1 +ATOM 15377 C CA B ARG D 4 255 ? 22.217 -53.161 -14.859 0.60 54.84 ? 265 ARG D CA 1 +ATOM 15378 C C A ARG D 4 255 ? 21.873 -51.981 -15.680 0.40 53.66 ? 265 ARG D C 1 +ATOM 15379 C C B ARG D 4 255 ? 21.840 -51.913 -15.656 0.60 53.75 ? 265 ARG D C 1 +ATOM 15380 O O A ARG D 4 255 ? 21.005 -52.050 -16.561 0.40 48.89 ? 265 ARG D O 1 +ATOM 15381 O O B ARG D 4 255 ? 20.935 -51.959 -16.499 0.60 48.88 ? 265 ARG D O 1 +ATOM 15382 C CB A ARG D 4 255 ? 21.639 -53.176 -13.471 0.40 47.60 ? 265 ARG D CB 1 +ATOM 15383 C CB B ARG D 4 255 ? 21.597 -53.137 -13.464 0.60 47.39 ? 265 ARG D CB 1 +ATOM 15384 C CG A ARG D 4 255 ? 21.829 -54.495 -12.719 0.40 51.70 ? 265 ARG D CG 1 +ATOM 15385 C CG B ARG D 4 255 ? 21.858 -54.418 -12.699 0.60 51.69 ? 265 ARG D CG 1 +ATOM 15386 C CD A ARG D 4 255 ? 21.144 -54.510 -11.339 0.40 59.25 ? 265 ARG D CD 1 +ATOM 15387 C CD B ARG D 4 255 ? 21.103 -54.487 -11.372 0.60 59.35 ? 265 ARG D CD 1 +ATOM 15388 N NE A ARG D 4 255 ? 21.084 -55.870 -10.806 0.40 57.31 ? 265 ARG D NE 1 +ATOM 15389 N NE B ARG D 4 255 ? 21.085 -55.856 -10.861 0.60 57.42 ? 265 ARG D NE 1 +ATOM 15390 C CZ A ARG D 4 255 ? 20.149 -56.319 -9.974 0.40 62.58 ? 265 ARG D CZ 1 +ATOM 15391 C CZ B ARG D 4 255 ? 20.199 -56.329 -9.994 0.60 62.78 ? 265 ARG D CZ 1 +ATOM 15392 N NH1 A ARG D 4 255 ? 19.205 -55.515 -9.490 0.40 52.87 ? 265 ARG D NH1 1 +ATOM 15393 N NH1 B ARG D 4 255 ? 19.289 -55.541 -9.432 0.60 52.86 ? 265 ARG D NH1 1 +ATOM 15394 N NH2 A ARG D 4 255 ? 20.152 -57.611 -9.630 0.40 58.43 ? 265 ARG D NH2 1 +ATOM 15395 N NH2 B ARG D 4 255 ? 20.226 -57.627 -9.687 0.60 58.30 ? 265 ARG D NH2 1 +ATOM 15396 N N A TRP D 4 256 ? 22.513 -50.842 -15.395 0.40 44.97 ? 266 TRP D N 1 +ATOM 15397 N N B TRP D 4 256 ? 22.518 -50.792 -15.398 0.60 44.81 ? 266 TRP D N 1 +ATOM 15398 C CA A TRP D 4 256 ? 22.296 -49.642 -16.198 0.40 46.64 ? 266 TRP D CA 1 +ATOM 15399 C CA B TRP D 4 256 ? 22.319 -49.593 -16.208 0.60 46.55 ? 266 TRP D CA 1 +ATOM 15400 C C A TRP D 4 256 ? 22.634 -49.898 -17.669 0.40 48.39 ? 266 TRP D C 1 +ATOM 15401 C C B TRP D 4 256 ? 22.636 -49.866 -17.680 0.60 48.45 ? 266 TRP D C 1 +ATOM 15402 O O A TRP D 4 256 ? 21.866 -49.528 -18.565 0.40 48.38 ? 266 TRP D O 1 +ATOM 15403 O O B TRP D 4 256 ? 21.859 -49.499 -18.568 0.60 48.55 ? 266 TRP D O 1 +ATOM 15404 C CB A TRP D 4 256 ? 23.121 -48.483 -15.615 0.40 43.70 ? 266 TRP D CB 1 +ATOM 15405 C CB B TRP D 4 256 ? 23.172 -48.445 -15.656 0.60 43.51 ? 266 TRP D CB 1 +ATOM 15406 C CG A TRP D 4 256 ? 23.189 -47.282 -16.505 0.40 46.57 ? 266 TRP D CG 1 +ATOM 15407 C CG B TRP D 4 256 ? 23.211 -47.253 -16.558 0.60 46.53 ? 266 TRP D CG 1 +ATOM 15408 C CD1 A TRP D 4 256 ? 24.308 -46.736 -17.062 0.40 45.70 ? 266 TRP D CD1 1 +ATOM 15409 C CD1 B TRP D 4 256 ? 24.310 -46.717 -17.149 0.60 45.70 ? 266 TRP D CD1 1 +ATOM 15410 C CD2 A TRP D 4 256 ? 22.086 -46.504 -16.978 0.40 46.35 ? 266 TRP D CD2 1 +ATOM 15411 C CD2 B TRP D 4 256 ? 22.096 -46.472 -17.001 0.60 46.31 ? 266 TRP D CD2 1 +ATOM 15412 N NE1 A TRP D 4 256 ? 23.971 -45.659 -17.843 0.40 47.56 ? 266 TRP D NE1 1 +ATOM 15413 N NE1 B TRP D 4 256 ? 23.955 -45.645 -17.926 0.60 47.63 ? 266 TRP D NE1 1 +ATOM 15414 C CE2 A TRP D 4 256 ? 22.614 -45.492 -17.806 0.40 47.91 ? 266 TRP D CE2 1 +ATOM 15415 C CE2 B TRP D 4 256 ? 22.600 -45.475 -17.857 0.60 47.97 ? 266 TRP D CE2 1 +ATOM 15416 C CE3 A TRP D 4 256 ? 20.703 -46.554 -16.769 0.40 50.18 ? 266 TRP D CE3 1 +ATOM 15417 C CE3 B TRP D 4 256 ? 20.720 -46.514 -16.748 0.60 50.22 ? 266 TRP D CE3 1 +ATOM 15418 C CZ2 A TRP D 4 256 ? 21.808 -44.542 -18.431 0.40 44.00 ? 266 TRP D CZ2 1 +ATOM 15419 C CZ2 B TRP D 4 256 ? 21.781 -44.527 -18.463 0.60 43.93 ? 266 TRP D CZ2 1 +ATOM 15420 C CZ3 A TRP D 4 256 ? 19.901 -45.609 -17.398 0.40 47.20 ? 266 TRP D CZ3 1 +ATOM 15421 C CZ3 B TRP D 4 256 ? 19.905 -45.582 -17.359 0.60 47.18 ? 266 TRP D CZ3 1 +ATOM 15422 C CH2 A TRP D 4 256 ? 20.459 -44.611 -18.206 0.40 48.15 ? 266 TRP D CH2 1 +ATOM 15423 C CH2 B TRP D 4 256 ? 20.440 -44.593 -18.199 0.60 48.17 ? 266 TRP D CH2 1 +ATOM 15424 N N A LEU D 4 257 ? 23.767 -50.565 -17.933 0.40 48.67 ? 267 LEU D N 1 +ATOM 15425 N N B LEU D 4 257 ? 23.763 -50.542 -17.951 0.60 48.72 ? 267 LEU D N 1 +ATOM 15426 C CA A LEU D 4 257 ? 24.174 -50.865 -19.304 0.40 45.85 ? 267 LEU D CA 1 +ATOM 15427 C CA B LEU D 4 257 ? 24.154 -50.859 -19.323 0.60 45.80 ? 267 LEU D CA 1 +ATOM 15428 C C A LEU D 4 257 ? 23.054 -51.552 -20.078 0.40 48.72 ? 267 LEU D C 1 +ATOM 15429 C C B LEU D 4 257 ? 23.018 -51.529 -20.089 0.60 48.83 ? 267 LEU D C 1 +ATOM 15430 O O A LEU D 4 257 ? 22.757 -51.188 -21.221 0.40 46.03 ? 267 LEU D O 1 +ATOM 15431 O O B LEU D 4 257 ? 22.690 -51.131 -21.214 0.60 46.05 ? 267 LEU D O 1 +ATOM 15432 C CB A LEU D 4 257 ? 25.429 -51.745 -19.297 0.40 49.56 ? 267 LEU D CB 1 +ATOM 15433 C CB B LEU D 4 257 ? 25.391 -51.762 -19.321 0.60 49.56 ? 267 LEU D CB 1 +ATOM 15434 C CG A LEU D 4 257 ? 26.219 -52.026 -20.593 0.40 52.15 ? 267 LEU D CG 1 +ATOM 15435 C CG B LEU D 4 257 ? 26.193 -51.977 -20.615 0.60 52.13 ? 267 LEU D CG 1 +ATOM 15436 C CD1 A LEU D 4 257 ? 27.497 -52.761 -20.247 0.40 50.60 ? 267 LEU D CD1 1 +ATOM 15437 C CD1 B LEU D 4 257 ? 27.552 -52.557 -20.268 0.60 51.15 ? 267 LEU D CD1 1 +ATOM 15438 C CD2 A LEU D 4 257 ? 25.467 -52.860 -21.586 0.40 53.91 ? 267 LEU D CD2 1 +ATOM 15439 C CD2 B LEU D 4 257 ? 25.498 -52.905 -21.595 0.60 54.09 ? 267 LEU D CD2 1 +ATOM 15440 N N A HIS D 4 258 ? 22.436 -52.566 -19.477 0.40 45.60 ? 268 HIS D N 1 +ATOM 15441 N N B HIS D 4 258 ? 22.414 -52.560 -19.497 0.60 45.55 ? 268 HIS D N 1 +ATOM 15442 C CA A HIS D 4 258 ? 21.418 -53.321 -20.190 0.40 48.97 ? 268 HIS D CA 1 +ATOM 15443 C CA B HIS D 4 258 ? 21.405 -53.321 -20.219 0.60 49.09 ? 268 HIS D CA 1 +ATOM 15444 C C A HIS D 4 258 ? 20.078 -52.591 -20.232 0.40 46.61 ? 268 HIS D C 1 +ATOM 15445 C C B HIS D 4 258 ? 20.057 -52.616 -20.244 0.60 46.64 ? 268 HIS D C 1 +ATOM 15446 O O A HIS D 4 258 ? 19.335 -52.755 -21.203 0.40 45.05 ? 268 HIS D O 1 +ATOM 15447 O O B HIS D 4 258 ? 19.293 -52.804 -21.195 0.60 44.99 ? 268 HIS D O 1 +ATOM 15448 C CB A HIS D 4 258 ? 21.297 -54.724 -19.582 0.40 43.21 ? 268 HIS D CB 1 +ATOM 15449 C CB B HIS D 4 258 ? 21.290 -54.734 -19.633 0.60 43.06 ? 268 HIS D CB 1 +ATOM 15450 C CG A HIS D 4 258 ? 22.478 -55.592 -19.892 0.40 44.77 ? 268 HIS D CG 1 +ATOM 15451 C CG B HIS D 4 258 ? 22.499 -55.573 -19.900 0.60 44.78 ? 268 HIS D CG 1 +ATOM 15452 N ND1 A HIS D 4 258 ? 23.634 -55.565 -19.143 0.40 48.11 ? 268 HIS D ND1 1 +ATOM 15453 N ND1 B HIS D 4 258 ? 23.623 -55.530 -19.105 0.60 48.17 ? 268 HIS D ND1 1 +ATOM 15454 C CD2 A HIS D 4 258 ? 22.705 -56.470 -20.901 0.40 44.01 ? 268 HIS D CD2 1 +ATOM 15455 C CD2 B HIS D 4 258 ? 22.783 -56.433 -20.907 0.60 43.91 ? 268 HIS D CD2 1 +ATOM 15456 C CE1 A HIS D 4 258 ? 24.524 -56.383 -19.676 0.40 43.61 ? 268 HIS D CE1 1 +ATOM 15457 C CE1 B HIS D 4 258 ? 24.543 -56.337 -19.602 0.60 43.41 ? 268 HIS D CE1 1 +ATOM 15458 N NE2 A HIS D 4 258 ? 23.980 -56.953 -20.738 0.40 45.30 ? 268 HIS D NE2 1 +ATOM 15459 N NE2 B HIS D 4 258 ? 24.057 -56.895 -20.696 0.60 45.25 ? 268 HIS D NE2 1 +ATOM 15460 N N A PHE D 4 259 ? 19.746 -51.771 -19.228 0.40 42.52 ? 269 PHE D N 1 +ATOM 15461 N N B PHE D 4 259 ? 19.739 -51.794 -19.243 0.60 42.35 ? 269 PHE D N 1 +ATOM 15462 C CA A PHE D 4 259 ? 18.556 -50.942 -19.395 0.40 46.89 ? 269 PHE D CA 1 +ATOM 15463 C CA B PHE D 4 259 ? 18.554 -50.964 -19.397 0.60 46.90 ? 269 PHE D CA 1 +ATOM 15464 C C A PHE D 4 259 ? 18.760 -49.925 -20.516 0.40 46.51 ? 269 PHE D C 1 +ATOM 15465 C C B PHE D 4 259 ? 18.744 -49.965 -20.532 0.60 46.53 ? 269 PHE D C 1 +ATOM 15466 O O A PHE D 4 259 ? 17.842 -49.663 -21.306 0.40 48.61 ? 269 PHE D O 1 +ATOM 15467 O O B PHE D 4 259 ? 17.808 -49.687 -21.290 0.60 48.70 ? 269 PHE D O 1 +ATOM 15468 C CB A PHE D 4 259 ? 18.184 -50.211 -18.104 0.40 44.60 ? 269 PHE D CB 1 +ATOM 15469 C CB B PHE D 4 259 ? 18.207 -50.216 -18.113 0.60 44.49 ? 269 PHE D CB 1 +ATOM 15470 C CG A PHE D 4 259 ? 17.022 -49.275 -18.282 0.40 52.55 ? 269 PHE D CG 1 +ATOM 15471 C CG B PHE D 4 259 ? 17.046 -49.285 -18.288 0.60 52.68 ? 269 PHE D CG 1 +ATOM 15472 C CD1 A PHE D 4 259 ? 15.716 -49.763 -18.259 0.40 50.74 ? 269 PHE D CD1 1 +ATOM 15473 C CD1 B PHE D 4 259 ? 15.746 -49.776 -18.268 0.60 50.77 ? 269 PHE D CD1 1 +ATOM 15474 C CD2 A PHE D 4 259 ? 17.229 -47.928 -18.555 0.40 44.91 ? 269 PHE D CD2 1 +ATOM 15475 C CD2 B PHE D 4 259 ? 17.247 -47.936 -18.551 0.60 44.79 ? 269 PHE D CD2 1 +ATOM 15476 C CE1 A PHE D 4 259 ? 14.636 -48.912 -18.454 0.40 47.56 ? 269 PHE D CE1 1 +ATOM 15477 C CE1 B PHE D 4 259 ? 14.665 -48.927 -18.460 0.60 47.45 ? 269 PHE D CE1 1 +ATOM 15478 C CE2 A PHE D 4 259 ? 16.154 -47.068 -18.764 0.40 50.25 ? 269 PHE D CE2 1 +ATOM 15479 C CE2 B PHE D 4 259 ? 16.171 -47.088 -18.746 0.60 50.34 ? 269 PHE D CE2 1 +ATOM 15480 C CZ A PHE D 4 259 ? 14.855 -47.558 -18.711 0.40 50.40 ? 269 PHE D CZ 1 +ATOM 15481 C CZ B PHE D 4 259 ? 14.878 -47.585 -18.701 0.60 50.42 ? 269 PHE D CZ 1 +ATOM 15482 N N A PHE D 4 260 ? 19.956 -49.344 -20.595 0.40 42.97 ? 270 PHE D N 1 +ATOM 15483 N N B PHE D 4 260 ? 19.949 -49.396 -20.638 0.60 42.84 ? 270 PHE D N 1 +ATOM 15484 C CA A PHE D 4 260 ? 20.239 -48.372 -21.643 0.40 44.28 ? 270 PHE D CA 1 +ATOM 15485 C CA B PHE D 4 260 ? 20.239 -48.423 -21.682 0.60 44.33 ? 270 PHE D CA 1 +ATOM 15486 C C A PHE D 4 260 ? 20.084 -49.000 -23.024 0.40 44.74 ? 270 PHE D C 1 +ATOM 15487 C C B PHE D 4 260 ? 20.097 -49.056 -23.061 0.60 44.73 ? 270 PHE D C 1 +ATOM 15488 O O A PHE D 4 260 ? 19.610 -48.348 -23.966 0.40 45.05 ? 270 PHE D O 1 +ATOM 15489 O O B PHE D 4 260 ? 19.549 -48.441 -23.987 0.60 45.08 ? 270 PHE D O 1 +ATOM 15490 C CB A PHE D 4 260 ? 21.646 -47.804 -21.441 0.40 47.40 ? 270 PHE D CB 1 +ATOM 15491 C CB B PHE D 4 260 ? 21.647 -47.864 -21.471 0.60 47.54 ? 270 PHE D CB 1 +ATOM 15492 C CG A PHE D 4 260 ? 21.939 -46.571 -22.247 0.40 47.49 ? 270 PHE D CG 1 +ATOM 15493 C CG B PHE D 4 260 ? 21.950 -46.625 -22.272 0.60 47.63 ? 270 PHE D CG 1 +ATOM 15494 C CD1 A PHE D 4 260 ? 21.282 -45.379 -21.983 0.40 40.35 ? 270 PHE D CD1 1 +ATOM 15495 C CD1 B PHE D 4 260 ? 21.296 -45.431 -22.008 0.60 40.21 ? 270 PHE D CD1 1 +ATOM 15496 C CD2 A PHE D 4 260 ? 22.906 -46.596 -23.246 0.40 44.97 ? 270 PHE D CD2 1 +ATOM 15497 C CD2 B PHE D 4 260 ? 22.918 -46.648 -23.271 0.60 44.96 ? 270 PHE D CD2 1 +ATOM 15498 C CE1 A PHE D 4 260 ? 21.570 -44.233 -22.721 0.40 44.87 ? 270 PHE D CE1 1 +ATOM 15499 C CE1 B PHE D 4 260 ? 21.584 -44.287 -22.746 0.60 44.96 ? 270 PHE D CE1 1 +ATOM 15500 C CE2 A PHE D 4 260 ? 23.202 -45.458 -23.988 0.40 46.11 ? 270 PHE D CE2 1 +ATOM 15501 C CE2 B PHE D 4 260 ? 23.214 -45.497 -24.007 0.60 46.16 ? 270 PHE D CE2 1 +ATOM 15502 C CZ A PHE D 4 260 ? 22.531 -44.274 -23.724 0.40 39.94 ? 270 PHE D CZ 1 +ATOM 15503 C CZ B PHE D 4 260 ? 22.547 -44.319 -23.741 0.60 39.88 ? 270 PHE D CZ 1 +ATOM 15504 N N A MET D 4 261 ? 20.466 -50.273 -23.160 0.40 46.28 ? 271 MET D N 1 +ATOM 15505 N N B MET D 4 261 ? 20.576 -50.294 -23.210 0.60 46.48 ? 271 MET D N 1 +ATOM 15506 C CA A MET D 4 261 ? 20.330 -50.958 -24.442 0.40 48.66 ? 271 MET D CA 1 +ATOM 15507 C CA B MET D 4 261 ? 20.412 -51.001 -24.473 0.60 48.74 ? 271 MET D CA 1 +ATOM 15508 C C A MET D 4 261 ? 18.870 -51.167 -24.824 0.40 44.52 ? 271 MET D C 1 +ATOM 15509 C C B MET D 4 261 ? 18.943 -51.179 -24.823 0.60 44.55 ? 271 MET D C 1 +ATOM 15510 O O A MET D 4 261 ? 18.536 -51.155 -26.013 0.40 47.24 ? 271 MET D O 1 +ATOM 15511 O O B MET D 4 261 ? 18.580 -51.143 -26.002 0.60 47.28 ? 271 MET D O 1 +ATOM 15512 C CB A MET D 4 261 ? 21.063 -52.291 -24.410 0.40 45.52 ? 271 MET D CB 1 +ATOM 15513 C CB B MET D 4 261 ? 21.115 -52.353 -24.418 0.60 45.64 ? 271 MET D CB 1 +ATOM 15514 C CG A MET D 4 261 ? 22.583 -52.159 -24.343 0.40 47.38 ? 271 MET D CG 1 +ATOM 15515 C CG B MET D 4 261 ? 22.621 -52.248 -24.317 0.60 47.64 ? 271 MET D CG 1 +ATOM 15516 S SD A MET D 4 261 ? 23.405 -53.774 -24.312 0.40 52.28 ? 271 MET D SD 1 +ATOM 15517 S SD B MET D 4 261 ? 23.409 -53.869 -24.353 0.60 52.30 ? 271 MET D SD 1 +ATOM 15518 C CE A MET D 4 261 ? 23.046 -54.405 -25.945 0.40 46.11 ? 271 MET D CE 1 +ATOM 15519 C CE B MET D 4 261 ? 23.073 -54.410 -26.031 0.60 46.08 ? 271 MET D CE 1 +ATOM 15520 N N A LEU D 4 262 ? 17.995 -51.373 -23.842 0.40 45.09 ? 272 LEU D N 1 +ATOM 15521 N N B LEU D 4 262 ? 18.086 -51.353 -23.818 0.60 44.97 ? 272 LEU D N 1 +ATOM 15522 C CA A LEU D 4 262 ? 16.562 -51.318 -24.104 0.40 51.35 ? 272 LEU D CA 1 +ATOM 15523 C CA B LEU D 4 262 ? 16.650 -51.338 -24.065 0.60 51.50 ? 272 LEU D CA 1 +ATOM 15524 C C A LEU D 4 262 ? 16.133 -49.895 -24.467 0.40 48.88 ? 272 LEU D C 1 +ATOM 15525 C C B LEU D 4 262 ? 16.183 -49.936 -24.445 0.60 48.97 ? 272 LEU D C 1 +ATOM 15526 O O A LEU D 4 262 ? 15.425 -49.684 -25.457 0.40 46.48 ? 272 LEU D O 1 +ATOM 15527 O O B LEU D 4 262 ? 15.440 -49.763 -25.418 0.60 46.40 ? 272 LEU D O 1 +ATOM 15528 C CB A LEU D 4 262 ? 15.804 -51.829 -22.874 0.40 53.92 ? 272 LEU D CB 1 +ATOM 15529 C CB B LEU D 4 262 ? 15.904 -51.852 -22.826 0.60 53.88 ? 272 LEU D CB 1 +ATOM 15530 C CG A LEU D 4 262 ? 14.278 -51.909 -22.752 0.40 60.75 ? 272 LEU D CG 1 +ATOM 15531 C CG B LEU D 4 262 ? 14.369 -51.898 -22.735 0.60 60.99 ? 272 LEU D CG 1 +ATOM 15532 C CD1 A LEU D 4 262 ? 13.967 -52.611 -21.445 0.40 60.49 ? 272 LEU D CD1 1 +ATOM 15533 C CD1 B LEU D 4 262 ? 13.991 -52.679 -21.499 0.60 60.73 ? 272 LEU D CD1 1 +ATOM 15534 C CD2 A LEU D 4 262 ? 13.569 -50.554 -22.752 0.40 58.54 ? 272 LEU D CD2 1 +ATOM 15535 C CD2 B LEU D 4 262 ? 13.694 -50.520 -22.661 0.60 58.73 ? 272 LEU D CD2 1 +ATOM 15536 N N A PHE D 4 263 ? 16.567 -48.906 -23.672 0.40 47.23 ? 273 PHE D N 1 +ATOM 15537 N N B PHE D 4 263 ? 16.620 -48.923 -23.683 0.60 47.32 ? 273 PHE D N 1 +ATOM 15538 C CA A PHE D 4 263 ? 16.037 -47.547 -23.777 0.40 45.23 ? 273 PHE D CA 1 +ATOM 15539 C CA B PHE D 4 263 ? 16.044 -47.582 -23.784 0.60 45.18 ? 273 PHE D CA 1 +ATOM 15540 C C A PHE D 4 263 ? 16.272 -46.927 -25.157 0.40 48.77 ? 273 PHE D C 1 +ATOM 15541 C C B PHE D 4 263 ? 16.281 -46.945 -25.152 0.60 48.91 ? 273 PHE D C 1 +ATOM 15542 O O A PHE D 4 263 ? 15.359 -46.319 -25.732 0.40 49.08 ? 273 PHE D O 1 +ATOM 15543 O O B PHE D 4 263 ? 15.372 -46.319 -25.713 0.60 49.30 ? 273 PHE D O 1 +ATOM 15544 C CB A PHE D 4 263 ? 16.651 -46.660 -22.690 0.40 39.60 ? 273 PHE D CB 1 +ATOM 15545 C CB B PHE D 4 263 ? 16.606 -46.686 -22.674 0.60 39.41 ? 273 PHE D CB 1 +ATOM 15546 C CG A PHE D 4 263 ? 16.184 -45.244 -22.745 0.40 43.89 ? 273 PHE D CG 1 +ATOM 15547 C CG B PHE D 4 263 ? 16.151 -45.257 -22.758 0.60 43.87 ? 273 PHE D CG 1 +ATOM 15548 C CD1 A PHE D 4 263 ? 14.992 -44.874 -22.146 0.40 48.34 ? 273 PHE D CD1 1 +ATOM 15549 C CD1 B PHE D 4 263 ? 14.936 -44.872 -22.225 0.60 48.43 ? 273 PHE D CD1 1 +ATOM 15550 C CD2 A PHE D 4 263 ? 16.929 -44.274 -23.414 0.40 44.78 ? 273 PHE D CD2 1 +ATOM 15551 C CD2 B PHE D 4 263 ? 16.937 -44.295 -23.388 0.60 44.82 ? 273 PHE D CD2 1 +ATOM 15552 C CE1 A PHE D 4 263 ? 14.554 -43.566 -22.220 0.40 47.94 ? 273 PHE D CE1 1 +ATOM 15553 C CE1 B PHE D 4 263 ? 14.506 -43.562 -22.313 0.60 47.82 ? 273 PHE D CE1 1 +ATOM 15554 C CE2 A PHE D 4 263 ? 16.500 -42.968 -23.482 0.40 44.76 ? 273 PHE D CE2 1 +ATOM 15555 C CE2 B PHE D 4 263 ? 16.515 -42.978 -23.480 0.60 44.76 ? 273 PHE D CE2 1 +ATOM 15556 C CZ A PHE D 4 263 ? 15.309 -42.613 -22.888 0.40 50.77 ? 273 PHE D CZ 1 +ATOM 15557 C CZ B PHE D 4 263 ? 15.299 -42.610 -22.942 0.60 50.79 ? 273 PHE D CZ 1 +ATOM 15558 N N A VAL D 4 264 ? 17.474 -47.071 -25.707 0.40 49.39 ? 274 VAL D N 1 +ATOM 15559 N N B VAL D 4 264 ? 17.487 -47.081 -25.700 0.60 49.58 ? 274 VAL D N 1 +ATOM 15560 C CA A VAL D 4 264 ? 17.888 -46.281 -26.870 0.40 43.97 ? 274 VAL D CA 1 +ATOM 15561 C CA B VAL D 4 264 ? 17.904 -46.286 -26.862 0.60 43.98 ? 274 VAL D CA 1 +ATOM 15562 C C A VAL D 4 264 ? 17.077 -46.623 -28.124 0.40 48.43 ? 274 VAL D C 1 +ATOM 15563 C C B VAL D 4 264 ? 17.075 -46.652 -28.095 0.60 48.60 ? 274 VAL D C 1 +ATOM 15564 O O A VAL D 4 264 ? 16.432 -45.725 -28.683 0.40 44.79 ? 274 VAL D O 1 +ATOM 15565 O O B VAL D 4 264 ? 16.375 -45.777 -28.625 0.60 44.76 ? 274 VAL D O 1 +ATOM 15566 C CB A VAL D 4 264 ? 19.408 -46.408 -27.109 0.40 43.92 ? 274 VAL D CB 1 +ATOM 15567 C CB B VAL D 4 264 ? 19.425 -46.412 -27.116 0.60 43.93 ? 274 VAL D CB 1 +ATOM 15568 C CG1 A VAL D 4 264 ? 19.784 -45.898 -28.510 0.40 41.67 ? 274 VAL D CG1 1 +ATOM 15569 C CG1 B VAL D 4 264 ? 19.788 -45.970 -28.551 0.60 41.55 ? 274 VAL D CG1 1 +ATOM 15570 C CG2 A VAL D 4 264 ? 20.193 -45.636 -25.999 0.40 39.83 ? 274 VAL D CG2 1 +ATOM 15571 C CG2 B VAL D 4 264 ? 20.220 -45.593 -26.076 0.60 39.79 ? 274 VAL D CG2 1 +ATOM 15572 N N A PRO D 4 265 ? 17.061 -47.863 -28.625 0.40 42.82 ? 275 PRO D N 1 +ATOM 15573 N N B PRO D 4 265 ? 17.096 -47.893 -28.599 0.60 42.84 ? 275 PRO D N 1 +ATOM 15574 C CA A PRO D 4 265 ? 16.267 -48.108 -29.840 0.40 45.20 ? 275 PRO D CA 1 +ATOM 15575 C CA B PRO D 4 265 ? 16.301 -48.170 -29.808 0.60 45.36 ? 275 PRO D CA 1 +ATOM 15576 C C A PRO D 4 265 ? 14.769 -47.974 -29.613 0.40 45.72 ? 275 PRO D C 1 +ATOM 15577 C C B PRO D 4 265 ? 14.803 -48.046 -29.584 0.60 45.82 ? 275 PRO D C 1 +ATOM 15578 O O A PRO D 4 265 ? 14.045 -47.562 -30.530 0.40 48.56 ? 275 PRO D O 1 +ATOM 15579 O O B PRO D 4 265 ? 14.082 -47.626 -30.497 0.60 48.78 ? 275 PRO D O 1 +ATOM 15580 C CB A PRO D 4 265 ? 16.653 -49.541 -30.232 0.40 38.61 ? 275 PRO D CB 1 +ATOM 15581 C CB B PRO D 4 265 ? 16.713 -49.605 -30.184 0.60 38.51 ? 275 PRO D CB 1 +ATOM 15582 C CG A PRO D 4 265 ? 17.006 -50.174 -28.898 0.40 45.51 ? 275 PRO D CG 1 +ATOM 15583 C CG B PRO D 4 265 ? 17.172 -50.210 -28.876 0.60 45.23 ? 275 PRO D CG 1 +ATOM 15584 C CD A PRO D 4 265 ? 17.716 -49.099 -28.152 0.40 42.10 ? 275 PRO D CD 1 +ATOM 15585 C CD B PRO D 4 265 ? 17.850 -49.088 -28.164 0.60 41.90 ? 275 PRO D CD 1 +ATOM 15586 N N A VAL D 4 266 ? 14.277 -48.330 -28.427 0.40 45.37 ? 276 VAL D N 1 +ATOM 15587 N N B VAL D 4 266 ? 14.308 -48.383 -28.396 0.60 45.32 ? 276 VAL D N 1 +ATOM 15588 C CA A VAL D 4 266 ? 12.844 -48.227 -28.163 0.40 47.02 ? 276 VAL D CA 1 +ATOM 15589 C CA B VAL D 4 266 ? 12.874 -48.268 -28.138 0.60 47.12 ? 276 VAL D CA 1 +ATOM 15590 C C A VAL D 4 266 ? 12.398 -46.765 -28.215 0.40 46.56 ? 276 VAL D C 1 +ATOM 15591 C C B VAL D 4 266 ? 12.433 -46.807 -28.213 0.60 46.62 ? 276 VAL D C 1 +ATOM 15592 O O A VAL D 4 266 ? 11.393 -46.425 -28.853 0.40 48.67 ? 276 VAL D O 1 +ATOM 15593 O O B VAL D 4 266 ? 11.407 -46.478 -28.821 0.60 48.88 ? 276 VAL D O 1 +ATOM 15594 C CB A VAL D 4 266 ? 12.506 -48.887 -26.810 0.40 48.94 ? 276 VAL D CB 1 +ATOM 15595 C CB B VAL D 4 266 ? 12.523 -48.899 -26.776 0.60 49.03 ? 276 VAL D CB 1 +ATOM 15596 C CG1 A VAL D 4 266 ? 11.136 -48.451 -26.312 0.40 41.02 ? 276 VAL D CG1 1 +ATOM 15597 C CG1 B VAL D 4 266 ? 11.135 -48.458 -26.326 0.60 40.93 ? 276 VAL D CG1 1 +ATOM 15598 C CG2 A VAL D 4 266 ? 12.592 -50.431 -26.925 0.40 44.25 ? 276 VAL D CG2 1 +ATOM 15599 C CG2 B VAL D 4 266 ? 12.627 -50.436 -26.850 0.60 44.14 ? 276 VAL D CG2 1 +ATOM 15600 N N A THR D 4 267 ? 13.148 -45.876 -27.559 0.40 46.22 ? 277 THR D N 1 +ATOM 15601 N N B THR D 4 267 ? 13.195 -45.908 -27.580 0.60 46.27 ? 277 THR D N 1 +ATOM 15602 C CA A THR D 4 267 ? 12.814 -44.448 -27.583 0.40 48.03 ? 277 THR D CA 1 +ATOM 15603 C CA B THR D 4 267 ? 12.843 -44.489 -27.608 0.60 48.12 ? 277 THR D CA 1 +ATOM 15604 C C A THR D 4 267 ? 12.908 -43.885 -28.997 0.40 45.78 ? 277 THR D C 1 +ATOM 15605 C C B THR D 4 267 ? 12.917 -43.933 -29.029 0.60 45.87 ? 277 THR D C 1 +ATOM 15606 O O A THR D 4 267 ? 12.045 -43.110 -29.424 0.40 45.44 ? 277 THR D O 1 +ATOM 15607 O O B THR D 4 267 ? 12.009 -43.226 -29.471 0.60 45.72 ? 277 THR D O 1 +ATOM 15608 C CB A THR D 4 267 ? 13.733 -43.664 -26.629 0.40 42.68 ? 277 THR D CB 1 +ATOM 15609 C CB B THR D 4 267 ? 13.751 -43.696 -26.660 0.60 42.60 ? 277 THR D CB 1 +ATOM 15610 O OG1 A THR D 4 267 ? 13.552 -44.144 -25.307 0.40 44.34 ? 277 THR D OG1 1 +ATOM 15611 O OG1 B THR D 4 267 ? 13.542 -44.142 -25.324 0.60 44.26 ? 277 THR D OG1 1 +ATOM 15612 C CG2 A THR D 4 267 ? 13.438 -42.125 -26.657 0.40 47.51 ? 277 THR D CG2 1 +ATOM 15613 C CG2 B THR D 4 267 ? 13.448 -42.191 -26.732 0.60 47.78 ? 277 THR D CG2 1 +ATOM 15614 N N A GLY D 4 268 ? 13.941 -44.279 -29.742 0.40 42.35 ? 278 GLY D N 1 +ATOM 15615 N N B GLY D 4 268 ? 13.974 -44.268 -29.768 0.60 42.28 ? 278 GLY D N 1 +ATOM 15616 C CA A GLY D 4 268 ? 14.070 -43.829 -31.118 0.40 40.00 ? 278 GLY D CA 1 +ATOM 15617 C CA B GLY D 4 268 ? 14.077 -43.823 -31.148 0.60 39.98 ? 278 GLY D CA 1 +ATOM 15618 C C A GLY D 4 268 ? 12.869 -44.178 -31.983 0.40 44.98 ? 278 GLY D C 1 +ATOM 15619 C C B GLY D 4 268 ? 12.864 -44.178 -31.992 0.60 45.06 ? 278 GLY D C 1 +ATOM 15620 O O A GLY D 4 268 ? 12.351 -43.334 -32.718 0.40 45.72 ? 278 GLY D O 1 +ATOM 15621 O O B GLY D 4 268 ? 12.328 -43.338 -32.716 0.60 45.82 ? 278 GLY D O 1 +ATOM 15622 N N . LEU D 4 269 ? 12.412 -45.431 -31.917 1.00 46.42 ? 279 LEU D N 1 +ATOM 15623 C CA . LEU D 4 269 ? 11.258 -45.822 -32.728 1.00 43.50 ? 279 LEU D CA 1 +ATOM 15624 C C . LEU D 4 269 ? 10.023 -45.047 -32.318 1.00 40.00 ? 279 LEU D C 1 +ATOM 15625 O O . LEU D 4 269 ? 9.222 -44.650 -33.174 1.00 42.51 ? 279 LEU D O 1 +ATOM 15626 C CB . LEU D 4 269 ? 10.991 -47.322 -32.624 1.00 44.56 ? 279 LEU D CB 1 +ATOM 15627 C CG . LEU D 4 269 ? 11.440 -48.081 -33.881 1.00 48.48 ? 279 LEU D CG 1 +ATOM 15628 C CD1 . LEU D 4 269 ? 12.944 -47.961 -34.052 1.00 41.12 ? 279 LEU D CD1 1 +ATOM 15629 C CD2 . LEU D 4 269 ? 11.009 -49.547 -33.810 1.00 44.47 ? 279 LEU D CD2 1 +ATOM 15630 N N . TRP D 4 270 ? 9.879 -44.790 -31.013 1.00 39.45 ? 280 TRP D N 1 +ATOM 15631 C CA . TRP D 4 270 ? 8.730 -44.038 -30.532 1.00 43.80 ? 280 TRP D CA 1 +ATOM 15632 C C . TRP D 4 270 ? 8.750 -42.614 -31.064 1.00 46.43 ? 280 TRP D C 1 +ATOM 15633 O O . TRP D 4 270 ? 7.696 -42.067 -31.418 1.00 44.31 ? 280 TRP D O 1 +ATOM 15634 C CB . TRP D 4 270 ? 8.688 -44.039 -28.994 1.00 41.45 ? 280 TRP D CB 1 +ATOM 15635 C CG . TRP D 4 270 ? 7.794 -45.104 -28.453 1.00 48.86 ? 280 TRP D CG 1 +ATOM 15636 C CD1 . TRP D 4 270 ? 8.168 -46.362 -28.023 1.00 44.20 ? 280 TRP D CD1 1 +ATOM 15637 C CD2 . TRP D 4 270 ? 6.371 -45.032 -28.298 1.00 49.46 ? 280 TRP D CD2 1 +ATOM 15638 N NE1 . TRP D 4 270 ? 7.064 -47.060 -27.614 1.00 44.91 ? 280 TRP D NE1 1 +ATOM 15639 C CE2 . TRP D 4 270 ? 5.946 -46.280 -27.769 1.00 52.16 ? 280 TRP D CE2 1 +ATOM 15640 C CE3 . TRP D 4 270 ? 5.413 -44.039 -28.553 1.00 43.22 ? 280 TRP D CE3 1 +ATOM 15641 C CZ2 . TRP D 4 270 ? 4.600 -46.559 -27.479 1.00 44.09 ? 280 TRP D CZ2 1 +ATOM 15642 C CZ3 . TRP D 4 270 ? 4.074 -44.308 -28.242 1.00 47.14 ? 280 TRP D CZ3 1 +ATOM 15643 C CH2 . TRP D 4 270 ? 3.681 -45.560 -27.718 1.00 46.37 ? 280 TRP D CH2 1 +ATOM 15644 N N . MET D 4 271 ? 9.941 -41.995 -31.126 1.00 42.91 ? 281 MET D N 1 +ATOM 15645 C CA . MET D 4 271 ? 10.024 -40.634 -31.658 1.00 42.65 ? 281 MET D CA 1 +ATOM 15646 C C . MET D 4 271 ? 9.648 -40.598 -33.132 1.00 47.17 ? 281 MET D C 1 +ATOM 15647 O O . MET D 4 271 ? 8.887 -39.719 -33.554 1.00 46.75 ? 281 MET D O 1 +ATOM 15648 C CB . MET D 4 271 ? 11.418 -40.044 -31.427 1.00 43.95 ? 281 MET D CB 1 +ATOM 15649 C CG . MET D 4 271 ? 11.741 -39.723 -29.926 1.00 44.20 ? 281 MET D CG 1 +ATOM 15650 S SD . MET D 4 271 ? 10.518 -38.651 -29.109 1.00 52.10 ? 281 MET D SD 1 +ATOM 15651 C CE . MET D 4 271 ? 9.518 -39.801 -28.172 1.00 47.11 ? 281 MET D CE 1 +ATOM 15652 N N . SER D 4 272 ? 10.133 -41.567 -33.926 1.00 41.42 ? 282 SER D N 1 +ATOM 15653 C CA . SER D 4 272 ? 9.818 -41.564 -35.355 1.00 45.03 ? 282 SER D CA 1 +ATOM 15654 C C . SER D 4 272 ? 8.315 -41.699 -35.584 1.00 40.69 ? 282 SER D C 1 +ATOM 15655 O O . SER D 4 272 ? 7.767 -41.116 -36.521 1.00 43.09 ? 282 SER D O 1 +ATOM 15656 C CB . SER D 4 272 ? 10.583 -42.686 -36.079 1.00 41.85 ? 282 SER D CB 1 +ATOM 15657 O OG . SER D 4 272 ? 10.163 -44.000 -35.692 1.00 48.68 ? 282 SER D OG 1 +ATOM 15658 N N . ALA D 4 273 ? 7.641 -42.477 -34.738 1.00 43.20 ? 283 ALA D N 1 +ATOM 15659 C CA . ALA D 4 273 ? 6.201 -42.666 -34.860 1.00 51.46 ? 283 ALA D CA 1 +ATOM 15660 C C . ALA D 4 273 ? 5.454 -41.355 -34.676 1.00 44.27 ? 283 ALA D C 1 +ATOM 15661 O O . ALA D 4 273 ? 4.468 -41.089 -35.375 1.00 46.05 ? 283 ALA D O 1 +ATOM 15662 C CB . ALA D 4 273 ? 5.726 -43.717 -33.839 1.00 44.95 ? 283 ALA D CB 1 +ATOM 15663 N N . ILE D 4 274 ? 5.903 -40.526 -33.729 1.00 43.73 ? 284 ILE D N 1 +ATOM 15664 C CA . ILE D 4 274 ? 5.260 -39.235 -33.500 1.00 45.09 ? 284 ILE D CA 1 +ATOM 15665 C C . ILE D 4 274 ? 5.352 -38.361 -34.744 1.00 54.04 ? 284 ILE D C 1 +ATOM 15666 O O . ILE D 4 274 ? 4.376 -37.705 -35.137 1.00 44.53 ? 284 ILE D O 1 +ATOM 15667 C CB . ILE D 4 274 ? 5.884 -38.539 -32.281 1.00 48.67 ? 284 ILE D CB 1 +ATOM 15668 C CG1 . ILE D 4 274 ? 5.509 -39.301 -31.012 1.00 48.88 ? 284 ILE D CG1 1 +ATOM 15669 C CG2 . ILE D 4 274 ? 5.460 -37.040 -32.201 1.00 42.53 ? 284 ILE D CG2 1 +ATOM 15670 C CD1 . ILE D 4 274 ? 6.231 -38.744 -29.809 1.00 60.84 ? 284 ILE D CD1 1 +ATOM 15671 N N . GLY D 4 275 ? 6.525 -38.327 -35.380 1.00 40.93 ? 285 GLY D N 1 +ATOM 15672 C CA . GLY D 4 275 ? 6.655 -37.541 -36.596 1.00 41.23 ? 285 GLY D CA 1 +ATOM 15673 C C . GLY D 4 275 ? 5.733 -38.018 -37.707 1.00 43.41 ? 285 GLY D C 1 +ATOM 15674 O O . GLY D 4 275 ? 5.163 -37.206 -38.454 1.00 44.27 ? 285 GLY D O 1 +ATOM 15675 N N . VAL D 4 276 ? 5.582 -39.340 -37.844 1.00 40.03 ? 286 VAL D N 1 +ATOM 15676 C CA . VAL D 4 276 ? 4.685 -39.865 -38.865 1.00 45.04 ? 286 VAL D CA 1 +ATOM 15677 C C . VAL D 4 276 ? 3.240 -39.507 -38.536 1.00 41.60 ? 286 VAL D C 1 +ATOM 15678 O O . VAL D 4 276 ? 2.443 -39.243 -39.434 1.00 43.42 ? 286 VAL D O 1 +ATOM 15679 C CB . VAL D 4 276 ? 4.909 -41.386 -39.036 1.00 55.14 ? 286 VAL D CB 1 +ATOM 15680 C CG1 . VAL D 4 276 ? 3.777 -42.031 -39.827 1.00 47.02 ? 286 VAL D CG1 1 +ATOM 15681 C CG2 . VAL D 4 276 ? 6.252 -41.648 -39.710 1.00 40.43 ? 286 VAL D CG2 1 +ATOM 15682 N N . VAL D 4 277 ? 2.879 -39.455 -37.257 1.00 41.65 ? 287 VAL D N 1 +ATOM 15683 C CA . VAL D 4 277 ? 1.551 -38.956 -36.902 1.00 47.76 ? 287 VAL D CA 1 +ATOM 15684 C C . VAL D 4 277 ? 1.349 -37.554 -37.461 1.00 53.69 ? 287 VAL D C 1 +ATOM 15685 O O . VAL D 4 277 ? 0.286 -37.237 -38.005 1.00 46.95 ? 287 VAL D O 1 +ATOM 15686 C CB . VAL D 4 277 ? 1.342 -39.014 -35.374 1.00 46.92 ? 287 VAL D CB 1 +ATOM 15687 C CG1 . VAL D 4 277 ? 0.034 -38.343 -34.981 1.00 43.39 ? 287 VAL D CG1 1 +ATOM 15688 C CG2 . VAL D 4 277 ? 1.341 -40.488 -34.917 1.00 44.25 ? 287 VAL D CG2 1 +ATOM 15689 N N . GLY D 4 278 ? 2.386 -36.711 -37.387 1.00 46.82 ? 288 GLY D N 1 +ATOM 15690 C CA . GLY D 4 278 ? 2.303 -35.385 -37.980 1.00 43.99 ? 288 GLY D CA 1 +ATOM 15691 C C . GLY D 4 278 ? 2.121 -35.427 -39.485 1.00 45.22 ? 288 GLY D C 1 +ATOM 15692 O O . GLY D 4 278 ? 1.340 -34.650 -40.049 1.00 44.13 ? 288 GLY D O 1 +ATOM 15693 N N . LEU D 4 279 ? 2.847 -36.326 -40.162 1.00 41.11 ? 289 LEU D N 1 +ATOM 15694 C CA . LEU D 4 279 ? 2.725 -36.404 -41.611 1.00 43.04 ? 289 LEU D CA 1 +ATOM 15695 C C . LEU D 4 279 ? 1.358 -36.899 -42.050 1.00 47.92 ? 289 LEU D C 1 +ATOM 15696 O O . LEU D 4 279 ? 0.966 -36.636 -43.188 1.00 45.21 ? 289 LEU D O 1 +ATOM 15697 C CB . LEU D 4 279 ? 3.812 -37.303 -42.204 1.00 42.41 ? 289 LEU D CB 1 +ATOM 15698 C CG . LEU D 4 279 ? 5.231 -36.761 -41.980 1.00 49.39 ? 289 LEU D CG 1 +ATOM 15699 C CD1 . LEU D 4 279 ? 6.250 -37.547 -42.767 1.00 43.56 ? 289 LEU D CD1 1 +ATOM 15700 C CD2 . LEU D 4 279 ? 5.324 -35.270 -42.296 1.00 37.68 ? 289 LEU D CD2 1 +ATOM 15701 N N . ALA D 4 280 ? 0.640 -37.627 -41.192 1.00 41.06 ? 290 ALA D N 1 +ATOM 15702 C CA . ALA D 4 280 ? -0.740 -37.991 -41.503 1.00 51.82 ? 290 ALA D CA 1 +ATOM 15703 C C . ALA D 4 280 ? -1.555 -36.772 -41.909 1.00 51.36 ? 290 ALA D C 1 +ATOM 15704 O O . ALA D 4 280 ? -2.450 -36.876 -42.754 1.00 44.28 ? 290 ALA D O 1 +ATOM 15705 C CB . ALA D 4 280 ? -1.406 -38.670 -40.306 1.00 38.92 ? 290 ALA D CB 1 +ATOM 15706 N N . LEU D 4 281 ? -1.258 -35.618 -41.318 1.00 43.50 ? 291 LEU D N 1 +ATOM 15707 C CA . LEU D 4 281 ? -1.975 -34.373 -41.555 1.00 44.97 ? 291 LEU D CA 1 +ATOM 15708 C C . LEU D 4 281 ? -1.217 -33.425 -42.475 1.00 46.28 ? 291 LEU D C 1 +ATOM 15709 O O . LEU D 4 281 ? -1.612 -32.260 -42.607 1.00 44.94 ? 291 LEU D O 1 +ATOM 15710 C CB . LEU D 4 281 ? -2.253 -33.677 -40.219 1.00 46.13 ? 291 LEU D CB 1 +ATOM 15711 C CG . LEU D 4 281 ? -2.799 -34.631 -39.145 1.00 51.60 ? 291 LEU D CG 1 +ATOM 15712 C CD1 . LEU D 4 281 ? -2.909 -33.943 -37.787 1.00 52.47 ? 291 LEU D CD1 1 +ATOM 15713 C CD2 . LEU D 4 281 ? -4.166 -35.240 -39.565 1.00 47.89 ? 291 LEU D CD2 1 +ATOM 15714 N N . ASN D 4 282 ? -0.137 -33.896 -43.108 1.00 47.69 ? 292 ASN D N 1 +ATOM 15715 C CA . ASN D 4 282 ? 0.805 -33.057 -43.855 1.00 44.59 ? 292 ASN D CA 1 +ATOM 15716 C C . ASN D 4 282 ? 1.486 -32.028 -42.964 1.00 48.91 ? 292 ASN D C 1 +ATOM 15717 O O . ASN D 4 282 ? 2.021 -31.036 -43.468 1.00 47.44 ? 292 ASN D O 1 +ATOM 15718 C CB . ASN D 4 282 ? 0.140 -32.335 -45.041 1.00 43.96 ? 292 ASN D CB 1 +ATOM 15719 C CG . ASN D 4 282 ? -0.228 -33.275 -46.176 1.00 49.38 ? 292 ASN D CG 1 +ATOM 15720 O OD1 . ASN D 4 282 ? 0.292 -34.385 -46.274 1.00 51.50 ? 292 ASN D OD1 1 +ATOM 15721 N ND2 . ASN D 4 282 ? -1.118 -32.826 -47.047 1.00 48.45 ? 292 ASN D ND2 1 +ATOM 15722 N N . LEU D 4 283 ? 1.452 -32.220 -41.643 1.00 42.98 ? 293 LEU D N 1 +ATOM 15723 C CA . LEU D 4 283 ? 2.163 -31.330 -40.725 1.00 49.39 ? 293 LEU D CA 1 +ATOM 15724 C C . LEU D 4 283 ? 3.652 -31.678 -40.778 1.00 43.44 ? 293 LEU D C 1 +ATOM 15725 O O . LEU D 4 283 ? 4.215 -32.340 -39.906 1.00 40.47 ? 293 LEU D O 1 +ATOM 15726 C CB . LEU D 4 283 ? 1.586 -31.445 -39.331 1.00 40.55 ? 293 LEU D CB 1 +ATOM 15727 C CG . LEU D 4 283 ? 1.404 -30.241 -38.446 1.00 57.82 ? 293 LEU D CG 1 +ATOM 15728 C CD1 . LEU D 4 283 ? 0.828 -29.040 -39.172 1.00 47.88 ? 293 LEU D CD1 1 +ATOM 15729 C CD2 . LEU D 4 283 ? 0.474 -30.687 -37.345 1.00 57.91 ? 293 LEU D CD2 1 +ATOM 15730 N N . ARG D 4 284 ? 4.292 -31.201 -41.837 1.00 35.20 ? 294 ARG D N 1 +ATOM 15731 C CA . ARG D 4 284 ? 5.670 -31.495 -42.170 1.00 42.34 ? 294 ARG D CA 1 +ATOM 15732 C C . ARG D 4 284 ? 6.622 -30.494 -41.554 1.00 46.68 ? 294 ARG D C 1 +ATOM 15733 O O . ARG D 4 284 ? 6.242 -29.383 -41.164 1.00 42.12 ? 294 ARG D O 1 +ATOM 15734 C CB . ARG D 4 284 ? 5.871 -31.436 -43.684 1.00 44.83 ? 294 ARG D CB 1 +ATOM 15735 C CG . ARG D 4 284 ? 4.849 -32.196 -44.464 1.00 45.06 ? 294 ARG D CG 1 +ATOM 15736 C CD . ARG D 4 284 ? 4.725 -31.687 -45.858 1.00 41.77 ? 294 ARG D CD 1 +ATOM 15737 N NE . ARG D 4 284 ? 3.846 -32.590 -46.572 1.00 45.06 ? 294 ARG D NE 1 +ATOM 15738 C CZ . ARG D 4 284 ? 3.235 -32.299 -47.709 1.00 48.56 ? 294 ARG D CZ 1 +ATOM 15739 N NH1 . ARG D 4 284 ? 3.342 -31.096 -48.264 1.00 41.17 ? 294 ARG D NH1 1 +ATOM 15740 N NH2 . ARG D 4 284 ? 2.501 -33.237 -48.302 1.00 44.41 ? 294 ARG D NH2 1 +ATOM 15741 N N A SER D 4 285 ? 7.876 -30.931 -41.462 0.50 41.54 ? 295 SER D N 1 +ATOM 15742 N N B SER D 4 285 ? 7.893 -30.872 -41.470 0.50 41.67 ? 295 SER D N 1 +ATOM 15743 C CA A SER D 4 285 ? 9.025 -30.033 -41.378 0.50 46.90 ? 295 SER D CA 1 +ATOM 15744 C CA B SER D 4 285 ? 8.944 -29.862 -41.328 0.50 46.40 ? 295 SER D CA 1 +ATOM 15745 C C A SER D 4 285 ? 9.571 -29.932 -42.797 0.50 49.39 ? 295 SER D C 1 +ATOM 15746 C C B SER D 4 285 ? 9.645 -29.718 -42.677 0.50 48.75 ? 295 SER D C 1 +ATOM 15747 O O A SER D 4 285 ? 10.515 -30.626 -43.185 0.50 49.11 ? 295 SER D O 1 +ATOM 15748 O O B SER D 4 285 ? 10.774 -30.173 -42.898 0.50 48.73 ? 295 SER D O 1 +ATOM 15749 C CB A SER D 4 285 ? 10.076 -30.553 -40.403 0.50 45.47 ? 295 SER D CB 1 +ATOM 15750 C CB B SER D 4 285 ? 9.913 -30.227 -40.213 0.50 41.61 ? 295 SER D CB 1 +ATOM 15751 O OG A SER D 4 285 ? 9.637 -30.446 -39.069 0.50 61.62 ? 295 SER D OG 1 +ATOM 15752 O OG B SER D 4 285 ? 10.704 -31.338 -40.578 0.50 47.49 ? 295 SER D OG 1 +ATOM 15753 N N . TYR D 4 286 ? 8.906 -29.102 -43.602 1.00 44.65 ? 296 TYR D N 1 +ATOM 15754 C CA . TYR D 4 286 ? 9.323 -29.018 -44.988 1.00 39.97 ? 296 TYR D CA 1 +ATOM 15755 C C . TYR D 4 286 ? 10.345 -27.905 -45.201 1.00 48.04 ? 296 TYR D C 1 +ATOM 15756 O O . TYR D 4 286 ? 11.309 -28.085 -45.952 1.00 46.11 ? 296 TYR D O 1 +ATOM 15757 C CB . TYR D 4 286 ? 8.101 -28.802 -45.893 1.00 45.78 ? 296 TYR D CB 1 +ATOM 15758 C CG . TYR D 4 286 ? 8.477 -28.998 -47.338 1.00 46.81 ? 296 TYR D CG 1 +ATOM 15759 C CD1 . TYR D 4 286 ? 8.450 -30.273 -47.914 1.00 43.86 ? 296 TYR D CD1 1 +ATOM 15760 C CD2 . TYR D 4 286 ? 8.917 -27.934 -48.110 1.00 40.66 ? 296 TYR D CD2 1 +ATOM 15761 C CE1 . TYR D 4 286 ? 8.832 -30.475 -49.230 1.00 44.27 ? 296 TYR D CE1 1 +ATOM 15762 C CE2 . TYR D 4 286 ? 9.286 -28.120 -49.431 1.00 44.15 ? 296 TYR D CE2 1 +ATOM 15763 C CZ . TYR D 4 286 ? 9.255 -29.395 -49.974 1.00 46.59 ? 296 TYR D CZ 1 +ATOM 15764 O OH . TYR D 4 286 ? 9.638 -29.594 -51.264 1.00 49.39 ? 296 TYR D OH 1 +ATOM 15765 N N . ASP D 4 287 ? 10.158 -26.758 -44.558 1.00 38.34 ? 297 ASP D N 1 +ATOM 15766 C CA . ASP D 4 287 ? 10.910 -25.571 -44.902 1.00 42.45 ? 297 ASP D CA 1 +ATOM 15767 C C . ASP D 4 287 ? 11.518 -24.922 -43.672 1.00 37.92 ? 297 ASP D C 1 +ATOM 15768 O O . ASP D 4 287 ? 11.094 -25.150 -42.539 1.00 42.20 ? 297 ASP D O 1 +ATOM 15769 C CB . ASP D 4 287 ? 10.022 -24.554 -45.648 1.00 40.51 ? 297 ASP D CB 1 +ATOM 15770 C CG . ASP D 4 287 ? 8.647 -24.402 -45.021 1.00 48.03 ? 297 ASP D CG 1 +ATOM 15771 O OD1 . ASP D 4 287 ? 8.418 -24.858 -43.879 1.00 45.79 ? 297 ASP D OD1 1 +ATOM 15772 O OD2 . ASP D 4 287 ? 7.778 -23.806 -45.671 1.00 53.21 ? 297 ASP D OD2 1 +ATOM 15773 N N . PHE D 4 288 ? 12.522 -24.093 -43.922 1.00 51.40 ? 298 PHE D N 1 +ATOM 15774 C CA . PHE D 4 288 ? 12.946 -23.049 -42.989 1.00 46.05 ? 298 PHE D CA 1 +ATOM 15775 C C . PHE D 4 288 ? 12.527 -21.725 -43.604 1.00 45.36 ? 298 PHE D C 1 +ATOM 15776 O O . PHE D 4 288 ? 13.074 -21.314 -44.636 1.00 42.90 ? 298 PHE D O 1 +ATOM 15777 C CB . PHE D 4 288 ? 14.453 -23.098 -42.742 1.00 43.70 ? 298 PHE D CB 1 +ATOM 15778 C CG . PHE D 4 288 ? 14.885 -24.295 -41.971 1.00 43.24 ? 298 PHE D CG 1 +ATOM 15779 C CD1 . PHE D 4 288 ? 14.487 -24.458 -40.643 1.00 45.44 ? 298 PHE D CD1 1 +ATOM 15780 C CD2 . PHE D 4 288 ? 15.684 -25.244 -42.546 1.00 39.01 ? 298 PHE D CD2 1 +ATOM 15781 C CE1 . PHE D 4 288 ? 14.873 -25.551 -39.908 1.00 45.96 ? 298 PHE D CE1 1 +ATOM 15782 C CE2 . PHE D 4 288 ? 16.079 -26.363 -41.808 1.00 44.40 ? 298 PHE D CE2 1 +ATOM 15783 C CZ . PHE D 4 288 ? 15.668 -26.514 -40.488 1.00 39.68 ? 298 PHE D CZ 1 +ATOM 15784 N N . ILE D 4 289 ? 11.542 -21.072 -42.984 1.00 41.94 ? 299 ILE D N 1 +ATOM 15785 C CA . ILE D 4 289 ? 11.004 -19.839 -43.552 1.00 44.00 ? 299 ILE D CA 1 +ATOM 15786 C C . ILE D 4 289 ? 12.103 -18.794 -43.756 1.00 47.29 ? 299 ILE D C 1 +ATOM 15787 O O . ILE D 4 289 ? 12.140 -18.119 -44.792 1.00 44.60 ? 299 ILE D O 1 +ATOM 15788 C CB . ILE D 4 289 ? 9.869 -19.304 -42.665 1.00 43.36 ? 299 ILE D CB 1 +ATOM 15789 C CG1 . ILE D 4 289 ? 8.692 -20.276 -42.668 1.00 45.64 ? 299 ILE D CG1 1 +ATOM 15790 C CG2 . ILE D 4 289 ? 9.436 -17.895 -43.126 1.00 35.81 ? 299 ILE D CG2 1 +ATOM 15791 C CD1 . ILE D 4 289 ? 7.540 -19.782 -41.830 1.00 47.15 ? 299 ILE D CD1 1 +ATOM 15792 N N . SER D 4 290 ? 13.021 -18.659 -42.790 1.00 39.66 ? 300 SER D N 1 +ATOM 15793 C CA . SER D 4 290 ? 14.079 -17.657 -42.900 1.00 41.79 ? 300 SER D CA 1 +ATOM 15794 C C . SER D 4 290 ? 14.936 -17.876 -44.140 1.00 44.30 ? 300 SER D C 1 +ATOM 15795 O O . SER D 4 290 ? 15.339 -16.910 -44.790 1.00 45.51 ? 300 SER D O 1 +ATOM 15796 C CB . SER D 4 290 ? 14.970 -17.656 -41.642 1.00 42.71 ? 300 SER D CB 1 +ATOM 15797 O OG . SER D 4 290 ? 15.704 -18.879 -41.521 1.00 44.78 ? 300 SER D OG 1 +ATOM 15798 N N . GLN D 4 291 ? 15.248 -19.141 -44.462 1.00 41.91 ? 301 GLN D N 1 +ATOM 15799 C CA . GLN D 4 291 ? 16.005 -19.457 -45.670 1.00 50.07 ? 301 GLN D CA 1 +ATOM 15800 C C . GLN D 4 291 ? 15.244 -19.072 -46.934 1.00 53.52 ? 301 GLN D C 1 +ATOM 15801 O O . GLN D 4 291 ? 15.856 -18.689 -47.938 1.00 46.14 ? 301 GLN D O 1 +ATOM 15802 C CB . GLN D 4 291 ? 16.310 -20.956 -45.748 1.00 44.51 ? 301 GLN D CB 1 +ATOM 15803 C CG . GLN D 4 291 ? 17.189 -21.495 -44.663 1.00 54.24 ? 301 GLN D CG 1 +ATOM 15804 C CD . GLN D 4 291 ? 18.620 -21.637 -45.103 1.00 55.00 ? 301 GLN D CD 1 +ATOM 15805 O OE1 . GLN D 4 291 ? 18.918 -22.157 -46.190 1.00 55.11 ? 301 GLN D OE1 1 +ATOM 15806 N NE2 . GLN D 4 291 ? 19.520 -21.156 -44.277 1.00 58.88 ? 301 GLN D NE2 1 +ATOM 15807 N N . GLU D 4 292 ? 13.922 -19.261 -46.929 1.00 42.82 ? 302 GLU D N 1 +ATOM 15808 C CA . GLU D 4 292 ? 13.123 -19.030 -48.126 1.00 44.95 ? 302 GLU D CA 1 +ATOM 15809 C C . GLU D 4 292 ? 12.999 -17.546 -48.418 1.00 45.23 ? 302 GLU D C 1 +ATOM 15810 O O . GLU D 4 292 ? 13.055 -17.127 -49.579 1.00 46.30 ? 302 GLU D O 1 +ATOM 15811 C CB . GLU D 4 292 ? 11.731 -19.662 -47.969 1.00 38.37 ? 302 GLU D CB 1 +ATOM 15812 C CG . GLU D 4 292 ? 11.715 -21.196 -47.812 1.00 38.24 ? 302 GLU D CG 1 +ATOM 15813 C CD . GLU D 4 292 ? 12.232 -21.949 -49.047 1.00 40.72 ? 302 GLU D CD 1 +ATOM 15814 O OE1 . GLU D 4 292 ? 12.610 -21.345 -50.079 1.00 42.77 ? 302 GLU D OE1 1 +ATOM 15815 O OE2 . GLU D 4 292 ? 12.282 -23.179 -48.977 1.00 45.53 ? 302 GLU D OE2 1 +ATOM 15816 N N . ILE D 4 293 ? 12.824 -16.742 -47.370 1.00 48.47 ? 303 ILE D N 1 +ATOM 15817 C CA . ILE D 4 293 ? 12.762 -15.300 -47.536 1.00 49.31 ? 303 ILE D CA 1 +ATOM 15818 C C . ILE D 4 293 ? 14.074 -14.781 -48.118 1.00 48.43 ? 303 ILE D C 1 +ATOM 15819 O O . ILE D 4 293 ? 14.080 -14.038 -49.104 1.00 46.30 ? 303 ILE D O 1 +ATOM 15820 C CB . ILE D 4 293 ? 12.397 -14.638 -46.195 1.00 49.84 ? 303 ILE D CB 1 +ATOM 15821 C CG1 . ILE D 4 293 ? 10.974 -15.042 -45.799 1.00 41.30 ? 303 ILE D CG1 1 +ATOM 15822 C CG2 . ILE D 4 293 ? 12.501 -13.117 -46.285 1.00 46.63 ? 303 ILE D CG2 1 +ATOM 15823 C CD1 . ILE D 4 293 ? 10.529 -14.463 -44.473 1.00 44.38 ? 303 ILE D CD1 1 +ATOM 15824 N N . ARG D 4 294 ? 15.207 -15.203 -47.549 1.00 46.88 ? 304 ARG D N 1 +ATOM 15825 C CA . ARG D 4 294 ? 16.498 -14.783 -48.087 1.00 44.62 ? 304 ARG D CA 1 +ATOM 15826 C C . ARG D 4 294 ? 16.657 -15.234 -49.534 1.00 49.36 ? 304 ARG D C 1 +ATOM 15827 O O . ARG D 4 294 ? 16.980 -14.433 -50.416 1.00 49.07 ? 304 ARG D O 1 +ATOM 15828 C CB . ARG D 4 294 ? 17.634 -15.336 -47.220 1.00 45.15 ? 304 ARG D CB 1 +ATOM 15829 C CG . ARG D 4 294 ? 19.048 -15.158 -47.790 1.00 52.76 ? 304 ARG D CG 1 +ATOM 15830 C CD . ARG D 4 294 ? 19.522 -13.715 -47.732 1.00 54.13 ? 304 ARG D CD 1 +ATOM 15831 N NE . ARG D 4 294 ? 20.880 -13.583 -48.258 1.00 60.14 ? 304 ARG D NE 1 +ATOM 15832 C CZ . ARG D 4 294 ? 21.982 -13.831 -47.558 1.00 61.34 ? 304 ARG D CZ 1 +ATOM 15833 N NH1 . ARG D 4 294 ? 21.928 -14.223 -46.295 1.00 60.83 ? 304 ARG D NH1 1 +ATOM 15834 N NH2 . ARG D 4 294 ? 23.169 -13.686 -48.142 1.00 62.16 ? 304 ARG D NH2 1 +ATOM 15835 N N . ALA D 4 295 ? 16.394 -16.513 -49.803 1.00 44.35 ? 305 ALA D N 1 +ATOM 15836 C CA . ALA D 4 295 ? 16.650 -17.057 -51.133 1.00 45.75 ? 305 ALA D CA 1 +ATOM 15837 C C . ALA D 4 295 ? 15.718 -16.462 -52.180 1.00 45.65 ? 305 ALA D C 1 +ATOM 15838 O O . ALA D 4 295 ? 16.133 -16.241 -53.317 1.00 46.44 ? 305 ALA D O 1 +ATOM 15839 C CB . ALA D 4 295 ? 16.525 -18.590 -51.098 1.00 39.94 ? 305 ALA D CB 1 +ATOM 15840 N N . ALA D 4 296 ? 14.456 -16.200 -51.830 1.00 46.03 ? 306 ALA D N 1 +ATOM 15841 C CA . ALA D 4 296 ? 13.555 -15.549 -52.782 1.00 46.65 ? 306 ALA D CA 1 +ATOM 15842 C C . ALA D 4 296 ? 14.100 -14.195 -53.226 1.00 48.90 ? 306 ALA D C 1 +ATOM 15843 O O . ALA D 4 296 ? 13.961 -13.808 -54.395 1.00 48.44 ? 306 ALA D O 1 +ATOM 15844 C CB . ALA D 4 296 ? 12.162 -15.375 -52.173 1.00 42.16 ? 306 ALA D CB 1 +ATOM 15845 N N . GLU D 4 297 ? 14.725 -13.460 -52.311 1.00 43.13 ? 307 GLU D N 1 +ATOM 15846 C CA . GLU D 4 297 ? 15.142 -12.091 -52.607 1.00 52.76 ? 307 GLU D CA 1 +ATOM 15847 C C . GLU D 4 297 ? 16.567 -12.005 -53.106 1.00 52.31 ? 307 GLU D C 1 +ATOM 15848 O O . GLU D 4 297 ? 16.945 -10.982 -53.681 1.00 54.83 ? 307 GLU D O 1 +ATOM 15849 C CB . GLU D 4 297 ? 15.056 -11.199 -51.371 1.00 45.52 ? 307 GLU D CB 1 +ATOM 15850 C CG . GLU D 4 297 ? 13.718 -11.138 -50.685 1.00 75.66 ? 307 GLU D CG 1 +ATOM 15851 C CD . GLU D 4 297 ? 13.820 -10.415 -49.340 1.00 94.29 ? 307 GLU D CD 1 +ATOM 15852 O OE1 . GLU D 4 297 ? 14.966 -10.197 -48.866 1.00 75.19 ? 307 GLU D OE1 1 +ATOM 15853 O OE2 . GLU D 4 297 ? 12.765 -10.075 -48.753 1.00 85.70 ? 307 GLU D OE2 1 +ATOM 15854 N N . ASP D 4 298 ? 17.370 -13.036 -52.887 1.00 46.30 ? 308 ASP D N 1 +ATOM 15855 C CA . ASP D 4 298 ? 18.803 -12.958 -53.130 1.00 44.46 ? 308 ASP D CA 1 +ATOM 15856 C C . ASP D 4 298 ? 19.188 -14.160 -53.982 1.00 50.29 ? 308 ASP D C 1 +ATOM 15857 O O . ASP D 4 298 ? 19.492 -15.242 -53.456 1.00 45.96 ? 308 ASP D O 1 +ATOM 15858 C CB . ASP D 4 298 ? 19.551 -12.894 -51.804 1.00 46.47 ? 308 ASP D CB 1 +ATOM 15859 C CG . ASP D 4 298 ? 21.042 -12.996 -51.961 1.00 46.77 ? 308 ASP D CG 1 +ATOM 15860 O OD1 . ASP D 4 298 ? 21.541 -13.003 -53.095 1.00 48.38 ? 308 ASP D OD1 1 +ATOM 15861 O OD2 . ASP D 4 298 ? 21.711 -13.101 -50.916 1.00 55.32 ? 308 ASP D OD2 1 +ATOM 15862 N N . PRO D 4 299 ? 19.207 -14.004 -55.309 1.00 51.01 ? 309 PRO D N 1 +ATOM 15863 C CA . PRO D 4 299 ? 19.455 -15.165 -56.179 1.00 49.96 ? 309 PRO D CA 1 +ATOM 15864 C C . PRO D 4 299 ? 20.891 -15.669 -56.151 1.00 47.01 ? 309 PRO D C 1 +ATOM 15865 O O . PRO D 4 299 ? 21.235 -16.569 -56.917 1.00 52.16 ? 309 PRO D O 1 +ATOM 15866 C CB . PRO D 4 299 ? 19.073 -14.652 -57.583 1.00 46.82 ? 309 PRO D CB 1 +ATOM 15867 C CG . PRO D 4 299 ? 18.229 -13.481 -57.349 1.00 52.50 ? 309 PRO D CG 1 +ATOM 15868 C CD . PRO D 4 299 ? 18.784 -12.827 -56.089 1.00 48.82 ? 309 PRO D CD 1 +ATOM 15869 N N . GLU D 4 300 ? 21.745 -15.124 -55.302 1.00 49.32 ? 310 GLU D N 1 +ATOM 15870 C CA . GLU D 4 300 ? 23.065 -15.716 -55.112 1.00 54.41 ? 310 GLU D CA 1 +ATOM 15871 C C . GLU D 4 300 ? 23.158 -16.569 -53.853 1.00 47.00 ? 310 GLU D C 1 +ATOM 15872 O O . GLU D 4 300 ? 24.179 -17.225 -53.638 1.00 50.91 ? 310 GLU D O 1 +ATOM 15873 C CB . GLU D 4 300 ? 24.141 -14.625 -55.104 1.00 47.76 ? 310 GLU D CB 1 +ATOM 15874 C CG . GLU D 4 300 ? 24.585 -14.277 -56.527 1.00 69.95 ? 310 GLU D CG 1 +ATOM 15875 C CD . GLU D 4 300 ? 25.544 -13.105 -56.583 1.00 65.43 ? 310 GLU D CD 1 +ATOM 15876 O OE1 . GLU D 4 300 ? 25.155 -12.003 -56.153 1.00 82.64 ? 310 GLU D OE1 1 +ATOM 15877 O OE2 . GLU D 4 300 ? 26.688 -13.287 -57.052 1.00 83.34 ? 310 GLU D OE2 1 +ATOM 15878 N N . PHE D 4 301 ? 22.110 -16.611 -53.044 1.00 41.96 ? 311 PHE D N 1 +ATOM 15879 C CA . PHE D 4 301 ? 22.128 -17.360 -51.796 1.00 41.95 ? 311 PHE D CA 1 +ATOM 15880 C C . PHE D 4 301 ? 21.758 -18.812 -52.069 1.00 47.49 ? 311 PHE D C 1 +ATOM 15881 O O . PHE D 4 301 ? 20.649 -19.096 -52.534 1.00 45.03 ? 311 PHE D O 1 +ATOM 15882 C CB . PHE D 4 301 ? 21.162 -16.731 -50.790 1.00 44.02 ? 311 PHE D CB 1 +ATOM 15883 C CG . PHE D 4 301 ? 21.125 -17.428 -49.474 1.00 41.89 ? 311 PHE D CG 1 +ATOM 15884 C CD1 . PHE D 4 301 ? 22.204 -17.348 -48.605 1.00 47.42 ? 311 PHE D CD1 1 +ATOM 15885 C CD2 . PHE D 4 301 ? 20.021 -18.184 -49.107 1.00 44.43 ? 311 PHE D CD2 1 +ATOM 15886 C CE1 . PHE D 4 301 ? 22.177 -18.005 -47.374 1.00 42.23 ? 311 PHE D CE1 1 +ATOM 15887 C CE2 . PHE D 4 301 ? 19.978 -18.825 -47.878 1.00 46.97 ? 311 PHE D CE2 1 +ATOM 15888 C CZ . PHE D 4 301 ? 21.057 -18.731 -47.010 1.00 47.11 ? 311 PHE D CZ 1 +ATOM 15889 N N A GLU D 4 302 ? 22.686 -19.721 -51.780 0.40 46.00 ? 312 GLU D N 1 +ATOM 15890 N N B GLU D 4 302 ? 22.680 -19.737 -51.781 0.60 46.08 ? 312 GLU D N 1 +ATOM 15891 C CA A GLU D 4 302 ? 22.443 -21.147 -52.010 0.40 47.21 ? 312 GLU D CA 1 +ATOM 15892 C CA B GLU D 4 302 ? 22.433 -21.161 -52.013 0.60 47.27 ? 312 GLU D CA 1 +ATOM 15893 C C A GLU D 4 302 ? 23.011 -21.977 -50.867 0.40 48.58 ? 312 GLU D C 1 +ATOM 15894 C C B GLU D 4 302 ? 22.985 -21.998 -50.869 0.60 48.71 ? 312 GLU D C 1 +ATOM 15895 O O A GLU D 4 302 ? 24.154 -21.761 -50.447 0.40 45.02 ? 312 GLU D O 1 +ATOM 15896 O O B GLU D 4 302 ? 24.137 -21.811 -50.461 0.60 45.06 ? 312 GLU D O 1 +ATOM 15897 C CB A GLU D 4 302 ? 23.050 -21.628 -53.336 0.40 46.20 ? 312 GLU D CB 1 +ATOM 15898 C CB B GLU D 4 302 ? 23.055 -21.646 -53.329 0.60 46.20 ? 312 GLU D CB 1 +ATOM 15899 C CG A GLU D 4 302 ? 22.711 -23.098 -53.669 0.40 42.45 ? 312 GLU D CG 1 +ATOM 15900 C CG B GLU D 4 302 ? 22.689 -23.113 -53.654 0.60 42.35 ? 312 GLU D CG 1 +ATOM 15901 C CD A GLU D 4 302 ? 23.013 -23.454 -55.124 0.40 48.89 ? 312 GLU D CD 1 +ATOM 15902 C CD B GLU D 4 302 ? 22.968 -23.500 -55.096 0.60 48.97 ? 312 GLU D CD 1 +ATOM 15903 O OE1 A GLU D 4 302 ? 23.844 -22.761 -55.746 0.40 49.46 ? 312 GLU D OE1 1 +ATOM 15904 O OE1 B GLU D 4 302 ? 23.795 -22.832 -55.748 0.60 49.49 ? 312 GLU D OE1 1 +ATOM 15905 O OE2 A GLU D 4 302 ? 22.419 -24.417 -55.665 0.40 48.46 ? 312 GLU D OE2 1 +ATOM 15906 O OE2 B GLU D 4 302 ? 22.352 -24.471 -55.598 0.60 48.39 ? 312 GLU D OE2 1 +ATOM 15907 N N A THR D 4 303 ? 22.210 -22.928 -50.378 0.40 47.73 ? 313 THR D N 1 +ATOM 15908 N N B THR D 4 303 ? 22.172 -22.926 -50.360 0.60 47.89 ? 313 THR D N 1 +ATOM 15909 C CA A THR D 4 303 ? 22.611 -23.856 -49.325 0.40 45.77 ? 313 THR D CA 1 +ATOM 15910 C CA B THR D 4 303 ? 22.600 -23.854 -49.314 0.60 45.76 ? 313 THR D CA 1 +ATOM 15911 C C A THR D 4 303 ? 22.226 -25.276 -49.725 0.40 45.33 ? 313 THR D C 1 +ATOM 15912 C C B THR D 4 303 ? 22.233 -25.275 -49.722 0.60 45.38 ? 313 THR D C 1 +ATOM 15913 O O A THR D 4 303 ? 21.532 -25.506 -50.724 0.40 42.90 ? 313 THR D O 1 +ATOM 15914 O O B THR D 4 303 ? 21.578 -25.500 -50.741 0.60 42.91 ? 313 THR D O 1 +ATOM 15915 C CB A THR D 4 303 ? 21.972 -23.512 -47.958 0.40 46.38 ? 313 THR D CB 1 +ATOM 15916 C CB B THR D 4 303 ? 21.973 -23.527 -47.950 0.60 46.45 ? 313 THR D CB 1 +ATOM 15917 O OG1 A THR D 4 303 ? 20.554 -23.733 -48.001 0.40 47.64 ? 313 THR D OG1 1 +ATOM 15918 O OG1 B THR D 4 303 ? 20.569 -23.823 -47.984 0.60 47.81 ? 313 THR D OG1 1 +ATOM 15919 C CG2 A THR D 4 303 ? 22.253 -22.059 -47.539 0.40 38.84 ? 313 THR D CG2 1 +ATOM 15920 C CG2 B THR D 4 303 ? 22.179 -22.058 -47.580 0.60 38.75 ? 313 THR D CG2 1 +ATOM 15921 N N A PHE D 4 304 ? 22.687 -26.251 -48.932 0.40 46.26 ? 314 PHE D N 1 +ATOM 15922 N N B PHE D 4 304 ? 22.662 -26.250 -48.910 0.60 46.36 ? 314 PHE D N 1 +ATOM 15923 C CA A PHE D 4 304 ? 22.258 -27.624 -49.180 0.40 47.39 ? 314 PHE D CA 1 +ATOM 15924 C CA B PHE D 4 304 ? 22.241 -27.628 -49.154 0.60 47.59 ? 314 PHE D CA 1 +ATOM 15925 C C A PHE D 4 304 ? 20.774 -27.800 -48.909 0.40 43.41 ? 314 PHE D C 1 +ATOM 15926 C C B PHE D 4 304 ? 20.759 -27.820 -48.888 0.60 43.47 ? 314 PHE D C 1 +ATOM 15927 O O A PHE D 4 304 ? 20.161 -28.710 -49.466 0.40 44.54 ? 314 PHE D O 1 +ATOM 15928 O O B PHE D 4 304 ? 20.163 -28.749 -49.437 0.60 44.64 ? 314 PHE D O 1 +ATOM 15929 C CB A PHE D 4 304 ? 23.071 -28.616 -48.339 0.40 40.90 ? 314 PHE D CB 1 +ATOM 15930 C CB B PHE D 4 304 ? 23.060 -28.615 -48.314 0.60 40.86 ? 314 PHE D CB 1 +ATOM 15931 C CG A PHE D 4 304 ? 24.404 -28.933 -48.937 0.40 46.92 ? 314 PHE D CG 1 +ATOM 15932 C CG B PHE D 4 304 ? 24.387 -28.937 -48.918 0.60 47.10 ? 314 PHE D CG 1 +ATOM 15933 C CD1 A PHE D 4 304 ? 24.486 -29.706 -50.093 0.40 41.85 ? 314 PHE D CD1 1 +ATOM 15934 C CD1 B PHE D 4 304 ? 24.463 -29.725 -50.063 0.60 41.78 ? 314 PHE D CD1 1 +ATOM 15935 C CD2 A PHE D 4 304 ? 25.576 -28.440 -48.366 0.40 40.41 ? 314 PHE D CD2 1 +ATOM 15936 C CD2 B PHE D 4 304 ? 25.557 -28.436 -48.365 0.60 40.40 ? 314 PHE D CD2 1 +ATOM 15937 C CE1 A PHE D 4 304 ? 25.724 -29.996 -50.678 0.40 45.54 ? 314 PHE D CE1 1 +ATOM 15938 C CE1 B PHE D 4 304 ? 25.694 -30.014 -50.649 0.60 45.69 ? 314 PHE D CE1 1 +ATOM 15939 C CE2 A PHE D 4 304 ? 26.822 -28.728 -48.934 0.40 43.69 ? 314 PHE D CE2 1 +ATOM 15940 C CE2 B PHE D 4 304 ? 26.785 -28.719 -48.929 0.60 43.74 ? 314 PHE D CE2 1 +ATOM 15941 C CZ A PHE D 4 304 ? 26.896 -29.507 -50.090 0.40 46.13 ? 314 PHE D CZ 1 +ATOM 15942 C CZ B PHE D 4 304 ? 26.859 -29.504 -50.078 0.60 46.26 ? 314 PHE D CZ 1 +ATOM 15943 N N A TYR D 4 305 ? 20.180 -26.920 -48.103 0.40 39.56 ? 315 TYR D N 1 +ATOM 15944 N N B TYR D 4 305 ? 20.152 -26.947 -48.081 0.60 39.41 ? 315 TYR D N 1 +ATOM 15945 C CA A TYR D 4 305 ? 18.738 -26.959 -47.915 0.40 41.95 ? 315 TYR D CA 1 +ATOM 15946 C CA B TYR D 4 305 ? 18.706 -26.973 -47.914 0.60 41.93 ? 315 TYR D CA 1 +ATOM 15947 C C A TYR D 4 305 ? 18.002 -26.594 -49.208 0.40 47.02 ? 315 TYR D C 1 +ATOM 15948 C C B TYR D 4 305 ? 17.994 -26.623 -49.222 0.60 47.22 ? 315 TYR D C 1 +ATOM 15949 O O A TYR D 4 305 ? 17.051 -27.284 -49.605 0.40 43.36 ? 315 TYR D O 1 +ATOM 15950 O O B TYR D 4 305 ? 17.076 -27.337 -49.647 0.60 43.32 ? 315 TYR D O 1 +ATOM 15951 C CB A TYR D 4 305 ? 18.354 -26.030 -46.761 0.40 41.33 ? 315 TYR D CB 1 +ATOM 15952 C CB B TYR D 4 305 ? 18.302 -26.020 -46.781 0.60 41.35 ? 315 TYR D CB 1 +ATOM 15953 C CG A TYR D 4 305 ? 16.916 -25.634 -46.768 0.40 39.60 ? 315 TYR D CG 1 +ATOM 15954 C CG B TYR D 4 305 ? 16.854 -25.615 -46.806 0.60 39.55 ? 315 TYR D CG 1 +ATOM 15955 C CD1 A TYR D 4 305 ? 15.932 -26.478 -46.242 0.40 41.34 ? 315 TYR D CD1 1 +ATOM 15956 C CD1 B TYR D 4 305 ? 15.869 -26.445 -46.276 0.60 41.38 ? 315 TYR D CD1 1 +ATOM 15957 C CD2 A TYR D 4 305 ? 16.529 -24.437 -47.332 0.40 38.64 ? 315 TYR D CD2 1 +ATOM 15958 C CD2 B TYR D 4 305 ? 16.467 -24.420 -47.379 0.60 38.58 ? 315 TYR D CD2 1 +ATOM 15959 C CE1 A TYR D 4 305 ? 14.594 -26.109 -46.272 0.40 41.17 ? 315 TYR D CE1 1 +ATOM 15960 C CE1 B TYR D 4 305 ? 14.540 -26.080 -46.302 0.60 41.25 ? 315 TYR D CE1 1 +ATOM 15961 C CE2 A TYR D 4 305 ? 15.216 -24.058 -47.362 0.40 41.38 ? 315 TYR D CE2 1 +ATOM 15962 C CE2 B TYR D 4 305 ? 15.147 -24.045 -47.420 0.60 41.43 ? 315 TYR D CE2 1 +ATOM 15963 C CZ A TYR D 4 305 ? 14.245 -24.887 -46.838 0.40 43.29 ? 315 TYR D CZ 1 +ATOM 15964 C CZ B TYR D 4 305 ? 14.184 -24.874 -46.881 0.60 43.30 ? 315 TYR D CZ 1 +ATOM 15965 O OH A TYR D 4 305 ? 12.938 -24.458 -46.891 0.40 38.88 ? 315 TYR D OH 1 +ATOM 15966 O OH B TYR D 4 305 ? 12.868 -24.489 -46.927 0.60 38.75 ? 315 TYR D OH 1 +ATOM 15967 N N A THR D 4 306 ? 18.426 -25.514 -49.891 0.40 43.55 ? 316 THR D N 1 +ATOM 15968 N N B THR D 4 306 ? 18.400 -25.522 -49.884 0.60 43.61 ? 316 THR D N 1 +ATOM 15969 C CA A THR D 4 306 ? 17.733 -25.157 -51.124 0.40 42.42 ? 316 THR D CA 1 +ATOM 15970 C CA B THR D 4 306 ? 17.738 -25.173 -51.143 0.60 42.39 ? 316 THR D CA 1 +ATOM 15971 C C A THR D 4 306 ? 18.028 -26.152 -52.232 0.40 43.94 ? 316 THR D C 1 +ATOM 15972 C C B THR D 4 306 ? 18.044 -26.188 -52.233 0.60 44.01 ? 316 THR D C 1 +ATOM 15973 O O A THR D 4 306 ? 17.161 -26.398 -53.077 0.40 42.70 ? 316 THR D O 1 +ATOM 15974 O O B THR D 4 306 ? 17.185 -26.456 -53.080 0.60 42.67 ? 316 THR D O 1 +ATOM 15975 C CB A THR D 4 306 ? 18.069 -23.725 -51.600 0.40 45.03 ? 316 THR D CB 1 +ATOM 15976 C CB B THR D 4 306 ? 18.102 -23.756 -51.635 0.60 45.09 ? 316 THR D CB 1 +ATOM 15977 O OG1 A THR D 4 306 ? 19.473 -23.583 -51.869 0.40 47.03 ? 316 THR D OG1 1 +ATOM 15978 O OG1 B THR D 4 306 ? 19.510 -23.638 -51.884 0.60 47.20 ? 316 THR D OG1 1 +ATOM 15979 C CG2 A THR D 4 306 ? 17.625 -22.688 -50.581 0.40 41.96 ? 316 THR D CG2 1 +ATOM 15980 C CG2 B THR D 4 306 ? 17.659 -22.687 -50.638 0.60 42.01 ? 316 THR D CG2 1 +ATOM 15981 N N A LYS D 4 307 ? 19.234 -26.726 -52.252 0.40 40.68 ? 317 LYS D N 1 +ATOM 15982 N N B LYS D 4 307 ? 19.249 -26.768 -52.230 0.60 40.56 ? 317 LYS D N 1 +ATOM 15983 C CA A LYS D 4 307 ? 19.537 -27.750 -53.251 0.40 39.88 ? 317 LYS D CA 1 +ATOM 15984 C CA B LYS D 4 307 ? 19.559 -27.790 -53.225 0.60 39.79 ? 317 LYS D CA 1 +ATOM 15985 C C A LYS D 4 307 ? 18.614 -28.952 -53.108 0.40 42.72 ? 317 LYS D C 1 +ATOM 15986 C C B LYS D 4 307 ? 18.638 -28.991 -53.076 0.60 42.81 ? 317 LYS D C 1 +ATOM 15987 O O A LYS D 4 307 ? 18.168 -29.524 -54.110 0.40 43.01 ? 317 LYS D O 1 +ATOM 15988 O O B LYS D 4 307 ? 18.198 -29.570 -54.077 0.60 43.15 ? 317 LYS D O 1 +ATOM 15989 C CB A LYS D 4 307 ? 21.004 -28.190 -53.153 0.40 40.75 ? 317 LYS D CB 1 +ATOM 15990 C CB B LYS D 4 307 ? 21.027 -28.212 -53.128 0.60 40.70 ? 317 LYS D CB 1 +ATOM 15991 C CG A LYS D 4 307 ? 21.978 -27.179 -53.786 0.40 44.64 ? 317 LYS D CG 1 +ATOM 15992 C CG B LYS D 4 307 ? 22.002 -27.198 -53.734 0.60 44.74 ? 317 LYS D CG 1 +ATOM 15993 C CD A LYS D 4 307 ? 23.407 -27.429 -53.312 0.40 44.75 ? 317 LYS D CD 1 +ATOM 15994 C CD B LYS D 4 307 ? 23.447 -27.457 -53.307 0.60 44.81 ? 317 LYS D CD 1 +ATOM 15995 C CE A LYS D 4 307 ? 23.926 -28.820 -53.717 0.40 46.11 ? 317 LYS D CE 1 +ATOM 15996 C CE B LYS D 4 307 ? 23.956 -28.834 -53.755 0.60 46.28 ? 317 LYS D CE 1 +ATOM 15997 N NZ A LYS D 4 307 ? 24.079 -28.958 -55.232 0.40 41.33 ? 317 LYS D NZ 1 +ATOM 15998 N NZ B LYS D 4 307 ? 24.116 -28.957 -55.267 0.60 41.17 ? 317 LYS D NZ 1 +ATOM 15999 N N A ASN D 4 308 ? 18.318 -29.356 -51.873 0.40 39.04 ? 318 ASN D N 1 +ATOM 16000 N N B ASN D 4 308 ? 18.298 -29.360 -51.838 0.60 38.81 ? 318 ASN D N 1 +ATOM 16001 C CA A ASN D 4 308 ? 17.497 -30.549 -51.691 0.40 42.88 ? 318 ASN D CA 1 +ATOM 16002 C CA B ASN D 4 308 ? 17.492 -30.563 -51.657 0.60 42.95 ? 318 ASN D CA 1 +ATOM 16003 C C A ASN D 4 308 ? 16.041 -30.313 -52.092 0.40 41.45 ? 318 ASN D C 1 +ATOM 16004 C C B ASN D 4 308 ? 16.042 -30.339 -52.061 0.60 41.45 ? 318 ASN D C 1 +ATOM 16005 O O A ASN D 4 308 ? 15.377 -31.242 -52.561 0.40 45.40 ? 318 ASN D O 1 +ATOM 16006 O O B ASN D 4 308 ? 15.394 -31.268 -52.553 0.60 45.51 ? 318 ASN D O 1 +ATOM 16007 C CB A ASN D 4 308 ? 17.598 -31.039 -50.241 0.40 39.59 ? 318 ASN D CB 1 +ATOM 16008 C CB B ASN D 4 308 ? 17.604 -31.058 -50.212 0.60 39.44 ? 318 ASN D CB 1 +ATOM 16009 C CG A ASN D 4 308 ? 18.962 -31.646 -49.936 0.40 49.04 ? 318 ASN D CG 1 +ATOM 16010 C CG B ASN D 4 308 ? 18.966 -31.643 -49.923 0.60 49.24 ? 318 ASN D CG 1 +ATOM 16011 O OD1 A ASN D 4 308 ? 19.696 -32.016 -50.863 0.40 47.55 ? 318 ASN D OD1 1 +ATOM 16012 O OD1 B ASN D 4 308 ? 19.695 -31.998 -50.857 0.60 47.70 ? 318 ASN D OD1 1 +ATOM 16013 N ND2 A ASN D 4 308 ? 19.311 -31.748 -48.643 0.40 41.99 ? 318 ASN D ND2 1 +ATOM 16014 N ND2 B ASN D 4 308 ? 19.330 -31.742 -48.642 0.60 41.99 ? 318 ASN D ND2 1 +ATOM 16015 N N A LEU D 4 309 ? 15.522 -29.091 -51.924 0.40 41.53 ? 319 LEU D N 1 +ATOM 16016 N N B LEU D 4 309 ? 15.523 -29.120 -51.898 0.60 41.51 ? 319 LEU D N 1 +ATOM 16017 C CA A LEU D 4 309 ? 14.142 -28.840 -52.332 0.40 40.05 ? 319 LEU D CA 1 +ATOM 16018 C CA B LEU D 4 309 ? 14.153 -28.852 -52.326 0.60 40.00 ? 319 LEU D CA 1 +ATOM 16019 C C A LEU D 4 309 ? 13.974 -28.981 -53.836 0.40 44.99 ? 319 LEU D C 1 +ATOM 16020 C C B LEU D 4 309 ? 14.006 -28.998 -53.833 0.60 45.06 ? 319 LEU D C 1 +ATOM 16021 O O A LEU D 4 309 ? 12.941 -29.476 -54.300 0.40 45.45 ? 319 LEU D O 1 +ATOM 16022 O O B LEU D 4 309 ? 12.984 -29.506 -54.313 0.60 45.55 ? 319 LEU D O 1 +ATOM 16023 C CB A LEU D 4 309 ? 13.677 -27.456 -51.896 0.40 41.49 ? 319 LEU D CB 1 +ATOM 16024 C CB B LEU D 4 309 ? 13.708 -27.462 -51.891 0.60 41.49 ? 319 LEU D CB 1 +ATOM 16025 C CG A LEU D 4 309 ? 13.663 -27.172 -50.400 0.40 41.18 ? 319 LEU D CG 1 +ATOM 16026 C CG B LEU D 4 309 ? 13.504 -27.214 -50.396 0.60 41.19 ? 319 LEU D CG 1 +ATOM 16027 C CD1 A LEU D 4 309 ? 12.861 -25.894 -50.169 0.40 44.90 ? 319 LEU D CD1 1 +ATOM 16028 C CD1 B LEU D 4 309 ? 12.577 -26.026 -50.208 0.60 46.24 ? 319 LEU D CD1 1 +ATOM 16029 C CD2 A LEU D 4 309 ? 13.081 -28.318 -49.626 0.40 40.93 ? 319 LEU D CD2 1 +ATOM 16030 C CD2 B LEU D 4 309 ? 12.963 -28.440 -49.667 0.60 41.03 ? 319 LEU D CD2 1 +ATOM 16031 N N A LEU D 4 310 ? 14.973 -28.541 -54.612 0.40 39.41 ? 320 LEU D N 1 +ATOM 16032 N N B LEU D 4 310 ? 15.014 -28.554 -54.596 0.60 39.20 ? 320 LEU D N 1 +ATOM 16033 C CA A LEU D 4 310 ? 14.939 -28.747 -56.058 0.40 46.08 ? 320 LEU D CA 1 +ATOM 16034 C CA B LEU D 4 310 ? 14.981 -28.751 -56.044 0.60 46.20 ? 320 LEU D CA 1 +ATOM 16035 C C A LEU D 4 310 ? 14.837 -30.231 -56.402 0.40 44.81 ? 320 LEU D C 1 +ATOM 16036 C C B LEU D 4 310 ? 14.880 -30.233 -56.389 0.60 44.83 ? 320 LEU D C 1 +ATOM 16037 O O A LEU D 4 310 ? 14.120 -30.612 -57.340 0.40 45.59 ? 320 LEU D O 1 +ATOM 16038 O O B LEU D 4 310 ? 14.145 -30.618 -57.306 0.60 45.68 ? 320 LEU D O 1 +ATOM 16039 C CB A LEU D 4 310 ? 16.177 -28.125 -56.706 0.40 41.70 ? 320 LEU D CB 1 +ATOM 16040 C CB B LEU D 4 310 ? 16.216 -28.130 -56.700 0.60 41.65 ? 320 LEU D CB 1 +ATOM 16041 C CG A LEU D 4 310 ? 16.213 -26.584 -56.704 0.40 49.13 ? 320 LEU D CG 1 +ATOM 16042 C CG B LEU D 4 310 ? 16.267 -26.596 -56.723 0.60 49.38 ? 320 LEU D CG 1 +ATOM 16043 C CD1 A LEU D 4 310 ? 17.630 -26.100 -56.985 0.40 44.93 ? 320 LEU D CD1 1 +ATOM 16044 C CD1 B LEU D 4 310 ? 17.698 -26.122 -56.985 0.60 44.96 ? 320 LEU D CD1 1 +ATOM 16045 C CD2 A LEU D 4 310 ? 15.253 -26.006 -57.743 0.40 42.76 ? 320 LEU D CD2 1 +ATOM 16046 C CD2 B LEU D 4 310 ? 15.310 -26.022 -57.781 0.60 42.80 ? 320 LEU D CD2 1 +ATOM 16047 N N A LEU D 4 311 ? 15.555 -31.081 -55.658 0.40 45.59 ? 321 LEU D N 1 +ATOM 16048 N N B LEU D 4 311 ? 15.604 -31.078 -55.653 0.60 45.77 ? 321 LEU D N 1 +ATOM 16049 C CA A LEU D 4 311 ? 15.427 -32.528 -55.832 0.40 44.02 ? 321 LEU D CA 1 +ATOM 16050 C CA B LEU D 4 311 ? 15.466 -32.523 -55.812 0.60 44.12 ? 321 LEU D CA 1 +ATOM 16051 C C A LEU D 4 311 ? 14.016 -33.002 -55.494 0.40 43.89 ? 321 LEU D C 1 +ATOM 16052 C C B LEU D 4 311 ? 14.053 -32.987 -55.477 0.60 44.01 ? 321 LEU D C 1 +ATOM 16053 O O A LEU D 4 311 ? 13.460 -33.845 -56.203 0.40 44.77 ? 321 LEU D O 1 +ATOM 16054 O O B LEU D 4 311 ? 13.507 -33.854 -56.164 0.60 44.77 ? 321 LEU D O 1 +ATOM 16055 C CB A LEU D 4 311 ? 16.461 -33.259 -54.962 0.40 40.54 ? 321 LEU D CB 1 +ATOM 16056 C CB B LEU D 4 311 ? 16.494 -33.246 -54.938 0.60 40.51 ? 321 LEU D CB 1 +ATOM 16057 C CG A LEU D 4 311 ? 17.904 -32.801 -55.233 0.40 45.06 ? 321 LEU D CG 1 +ATOM 16058 C CG B LEU D 4 311 ? 17.932 -32.808 -55.234 0.60 45.20 ? 321 LEU D CG 1 +ATOM 16059 C CD1 A LEU D 4 311 ? 18.923 -33.458 -54.308 0.40 39.97 ? 321 LEU D CD1 1 +ATOM 16060 C CD1 B LEU D 4 311 ? 18.949 -33.485 -54.318 0.60 39.93 ? 321 LEU D CD1 1 +ATOM 16061 C CD2 A LEU D 4 311 ? 18.245 -33.089 -56.692 0.40 38.23 ? 321 LEU D CD2 1 +ATOM 16062 C CD2 B LEU D 4 311 ? 18.245 -33.100 -56.687 0.60 38.15 ? 321 LEU D CD2 1 +ATOM 16063 N N A ASN D 4 312 ? 13.432 -32.490 -54.400 0.40 40.23 ? 322 ASN D N 1 +ATOM 16064 N N B ASN D 4 312 ? 13.445 -32.432 -54.417 0.60 40.03 ? 322 ASN D N 1 +ATOM 16065 C CA A ASN D 4 312 ? 12.063 -32.867 -54.039 0.40 43.22 ? 322 ASN D CA 1 +ATOM 16066 C CA B ASN D 4 312 ? 12.092 -32.853 -54.051 0.60 43.26 ? 322 ASN D CA 1 +ATOM 16067 C C A ASN D 4 312 ? 11.086 -32.485 -55.140 0.40 40.45 ? 322 ASN D C 1 +ATOM 16068 C C B ASN D 4 312 ? 11.094 -32.475 -55.130 0.60 40.30 ? 322 ASN D C 1 +ATOM 16069 O O A ASN D 4 312 ? 10.178 -33.258 -55.480 0.40 44.52 ? 322 ASN D O 1 +ATOM 16070 O O B ASN D 4 312 ? 10.166 -33.240 -55.429 0.60 44.57 ? 322 ASN D O 1 +ATOM 16071 C CB A ASN D 4 312 ? 11.624 -32.193 -52.735 0.40 38.95 ? 322 ASN D CB 1 +ATOM 16072 C CB B ASN D 4 312 ? 11.660 -32.230 -52.727 0.60 38.87 ? 322 ASN D CB 1 +ATOM 16073 C CG A ASN D 4 312 ? 12.377 -32.673 -51.544 0.40 44.25 ? 322 ASN D CG 1 +ATOM 16074 C CG B ASN D 4 312 ? 12.443 -32.746 -51.556 0.60 44.45 ? 322 ASN D CG 1 +ATOM 16075 O OD1 A ASN D 4 312 ? 13.036 -33.716 -51.593 0.40 45.35 ? 322 ASN D OD1 1 +ATOM 16076 O OD1 B ASN D 4 312 ? 13.071 -33.813 -51.628 0.60 45.42 ? 322 ASN D OD1 1 +ATOM 16077 N ND2 A ASN D 4 312 ? 12.283 -31.912 -50.438 0.40 38.81 ? 322 ASN D ND2 1 +ATOM 16078 N ND2 B ASN D 4 312 ? 12.409 -31.992 -50.450 0.60 39.02 ? 322 ASN D ND2 1 +ATOM 16079 N N A GLU D 4 313 ? 11.263 -31.285 -55.698 0.40 43.92 ? 323 GLU D N 1 +ATOM 16080 N N B GLU D 4 313 ? 11.268 -31.284 -55.707 0.60 44.01 ? 323 GLU D N 1 +ATOM 16081 C CA A GLU D 4 313 ? 10.419 -30.806 -56.789 0.40 42.04 ? 323 GLU D CA 1 +ATOM 16082 C CA B GLU D 4 313 ? 10.413 -30.816 -56.790 0.60 42.01 ? 323 GLU D CA 1 +ATOM 16083 C C A GLU D 4 313 ? 10.520 -31.712 -58.015 0.40 45.14 ? 323 GLU D C 1 +ATOM 16084 C C B GLU D 4 313 ? 10.545 -31.709 -58.020 0.60 45.17 ? 323 GLU D C 1 +ATOM 16085 O O A GLU D 4 313 ? 9.507 -32.013 -58.657 0.40 42.08 ? 323 GLU D O 1 +ATOM 16086 O O B GLU D 4 313 ? 9.555 -31.972 -58.714 0.60 41.82 ? 323 GLU D O 1 +ATOM 16087 C CB A GLU D 4 313 ? 10.799 -29.361 -57.112 0.40 39.93 ? 323 GLU D CB 1 +ATOM 16088 C CB B GLU D 4 313 ? 10.763 -29.361 -57.109 0.60 39.83 ? 323 GLU D CB 1 +ATOM 16089 C CG A GLU D 4 313 ? 10.346 -28.391 -56.033 0.40 39.11 ? 323 GLU D CG 1 +ATOM 16090 C CG B GLU D 4 313 ? 10.379 -28.391 -55.987 0.60 38.99 ? 323 GLU D CG 1 +ATOM 16091 C CD A GLU D 4 313 ? 11.222 -27.127 -55.904 0.40 46.81 ? 323 GLU D CD 1 +ATOM 16092 C CD B GLU D 4 313 ? 11.255 -27.131 -55.905 0.60 46.94 ? 323 GLU D CD 1 +ATOM 16093 O OE1 A GLU D 4 313 ? 11.868 -26.684 -56.890 0.40 43.25 ? 323 GLU D OE1 1 +ATOM 16094 O OE1 B GLU D 4 313 ? 11.936 -26.750 -56.894 0.60 43.32 ? 323 GLU D OE1 1 +ATOM 16095 O OE2 A GLU D 4 313 ? 11.255 -26.567 -54.786 0.40 44.75 ? 323 GLU D OE2 1 +ATOM 16096 O OE2 B GLU D 4 313 ? 11.249 -26.505 -54.827 0.60 44.78 ? 323 GLU D OE2 1 +ATOM 16097 N N A GLY D 4 314 ? 11.726 -32.187 -58.339 0.40 44.07 ? 324 GLY D N 1 +ATOM 16098 N N B GLY D 4 314 ? 11.755 -32.201 -58.296 0.60 44.06 ? 324 GLY D N 1 +ATOM 16099 C CA A GLY D 4 314 ? 11.848 -33.164 -59.411 0.40 41.44 ? 324 GLY D CA 1 +ATOM 16100 C CA B GLY D 4 314 ? 11.912 -33.172 -59.370 0.60 41.43 ? 324 GLY D CA 1 +ATOM 16101 C C A GLY D 4 314 ? 11.104 -34.454 -59.094 0.40 43.69 ? 324 GLY D C 1 +ATOM 16102 C C B GLY D 4 314 ? 11.168 -34.467 -59.088 0.60 43.62 ? 324 GLY D C 1 +ATOM 16103 O O A GLY D 4 314 ? 10.346 -34.971 -59.915 0.40 49.46 ? 324 GLY D O 1 +ATOM 16104 O O B GLY D 4 314 ? 10.468 -34.998 -59.948 0.60 49.84 ? 324 GLY D O 1 +ATOM 16105 N N A ILE D 4 315 ? 11.291 -34.976 -57.885 0.40 46.19 ? 325 ILE D N 1 +ATOM 16106 N N B ILE D 4 315 ? 11.292 -34.975 -57.864 0.60 46.32 ? 325 ILE D N 1 +ATOM 16107 C CA A ILE D 4 315 ? 10.602 -36.205 -57.494 0.40 47.79 ? 325 ILE D CA 1 +ATOM 16108 C CA B ILE D 4 315 ? 10.609 -36.212 -57.481 0.60 47.91 ? 325 ILE D CA 1 +ATOM 16109 C C A ILE D 4 315 ? 9.095 -36.064 -57.695 0.40 45.11 ? 325 ILE D C 1 +ATOM 16110 C C B ILE D 4 315 ? 9.100 -36.079 -57.670 0.60 45.13 ? 325 ILE D C 1 +ATOM 16111 O O A ILE D 4 315 ? 8.460 -36.908 -58.334 0.40 49.94 ? 325 ILE D O 1 +ATOM 16112 O O B ILE D 4 315 ? 8.456 -36.959 -58.243 0.60 50.13 ? 325 ILE D O 1 +ATOM 16113 C CB A ILE D 4 315 ? 10.938 -36.567 -56.040 0.40 46.78 ? 325 ILE D CB 1 +ATOM 16114 C CB B ILE D 4 315 ? 10.960 -36.584 -56.030 0.60 46.91 ? 325 ILE D CB 1 +ATOM 16115 C CG1 A ILE D 4 315 ? 12.409 -36.980 -55.895 0.40 45.03 ? 325 ILE D CG1 1 +ATOM 16116 C CG1 B ILE D 4 315 ? 12.417 -37.047 -55.925 0.60 44.97 ? 325 ILE D CG1 1 +ATOM 16117 C CG2 A ILE D 4 315 ? 9.989 -37.674 -55.528 0.40 42.81 ? 325 ILE D CG2 1 +ATOM 16118 C CG2 B ILE D 4 315 ? 9.977 -37.635 -55.483 0.60 42.77 ? 325 ILE D CG2 1 +ATOM 16119 C CD1 A ILE D 4 315 ? 12.864 -37.002 -54.398 0.40 41.03 ? 325 ILE D CD1 1 +ATOM 16120 C CD1 B ILE D 4 315 ? 12.928 -37.110 -54.459 0.60 41.18 ? 325 ILE D CD1 1 +ATOM 16121 N N . ARG D 4 316 ? 8.514 -34.977 -57.186 1.00 46.14 ? 326 ARG D N 1 +ATOM 16122 C CA . ARG D 4 316 ? 7.064 -34.814 -57.256 1.00 42.98 ? 326 ARG D CA 1 +ATOM 16123 C C . ARG D 4 316 ? 6.574 -34.801 -58.695 1.00 52.32 ? 326 ARG D C 1 +ATOM 16124 O O . ARG D 4 316 ? 5.649 -35.540 -59.047 1.00 46.92 ? 326 ARG D O 1 +ATOM 16125 C CB . ARG D 4 316 ? 6.630 -33.533 -56.541 1.00 44.71 ? 326 ARG D CB 1 +ATOM 16126 C CG . ARG D 4 316 ? 6.783 -33.613 -55.023 1.00 42.04 ? 326 ARG D CG 1 +ATOM 16127 C CD . ARG D 4 316 ? 5.970 -32.496 -54.302 1.00 40.95 ? 326 ARG D CD 1 +ATOM 16128 N NE . ARG D 4 316 ? 6.409 -31.135 -54.601 1.00 40.84 ? 326 ARG D NE 1 +ATOM 16129 C CZ . ARG D 4 316 ? 7.321 -30.468 -53.901 1.00 52.97 ? 326 ARG D CZ 1 +ATOM 16130 N NH1 . ARG D 4 316 ? 8.007 -31.052 -52.923 1.00 46.58 ? 326 ARG D NH1 1 +ATOM 16131 N NH2 . ARG D 4 316 ? 7.507 -29.170 -54.141 1.00 43.16 ? 326 ARG D NH2 1 +ATOM 16132 N N . ALA D 4 317 ? 7.197 -33.979 -59.552 1.00 42.61 ? 327 ALA D N 1 +ATOM 16133 C CA . ALA D 4 317 ? 6.678 -33.809 -60.903 1.00 40.39 ? 327 ALA D CA 1 +ATOM 16134 C C . ALA D 4 317 ? 6.876 -35.067 -61.731 1.00 46.61 ? 327 ALA D C 1 +ATOM 16135 O O . ALA D 4 317 ? 6.006 -35.429 -62.531 1.00 46.49 ? 327 ALA D O 1 +ATOM 16136 C CB . ALA D 4 317 ? 7.351 -32.624 -61.584 1.00 44.60 ? 327 ALA D CB 1 +ATOM 16137 N N A TRP D 4 318 ? 8.010 -35.750 -61.556 0.40 48.14 ? 328 TRP D N 1 +ATOM 16138 N N B TRP D 4 318 ? 8.004 -35.758 -61.541 0.60 48.20 ? 328 TRP D N 1 +ATOM 16139 C CA A TRP D 4 318 ? 8.323 -36.873 -62.429 0.40 49.36 ? 328 TRP D CA 1 +ATOM 16140 C CA B TRP D 4 318 ? 8.349 -36.877 -62.413 0.60 49.48 ? 328 TRP D CA 1 +ATOM 16141 C C A TRP D 4 318 ? 7.647 -38.171 -61.993 0.40 48.50 ? 328 TRP D C 1 +ATOM 16142 C C B TRP D 4 318 ? 7.698 -38.188 -61.983 0.60 48.59 ? 328 TRP D C 1 +ATOM 16143 O O A TRP D 4 318 ? 7.405 -39.041 -62.837 0.40 46.42 ? 328 TRP D O 1 +ATOM 16144 O O B TRP D 4 318 ? 7.504 -39.074 -62.822 0.60 46.51 ? 328 TRP D O 1 +ATOM 16145 C CB A TRP D 4 318 ? 9.842 -37.054 -62.527 0.40 42.80 ? 328 TRP D CB 1 +ATOM 16146 C CB B TRP D 4 318 ? 9.868 -37.040 -62.481 0.60 42.73 ? 328 TRP D CB 1 +ATOM 16147 C CG A TRP D 4 318 ? 10.487 -36.049 -63.440 0.40 44.57 ? 328 TRP D CG 1 +ATOM 16148 C CG B TRP D 4 318 ? 10.509 -36.052 -63.399 0.60 44.57 ? 328 TRP D CG 1 +ATOM 16149 C CD1 A TRP D 4 318 ? 10.667 -34.703 -63.196 0.40 45.15 ? 328 TRP D CD1 1 +ATOM 16150 C CD1 B TRP D 4 318 ? 10.725 -34.714 -63.153 0.60 45.06 ? 328 TRP D CD1 1 +ATOM 16151 C CD2 A TRP D 4 318 ? 11.009 -36.290 -64.754 0.40 44.88 ? 328 TRP D CD2 1 +ATOM 16152 C CD2 B TRP D 4 318 ? 11.010 -36.300 -64.720 0.60 44.83 ? 328 TRP D CD2 1 +ATOM 16153 N NE1 A TRP D 4 318 ? 11.270 -34.103 -64.284 0.40 43.73 ? 328 TRP D NE1 1 +ATOM 16154 N NE1 B TRP D 4 318 ? 11.323 -34.124 -64.251 0.60 43.74 ? 328 TRP D NE1 1 +ATOM 16155 C CE2 A TRP D 4 318 ? 11.497 -35.057 -65.246 0.40 44.02 ? 328 TRP D CE2 1 +ATOM 16156 C CE2 B TRP D 4 318 ? 11.510 -35.076 -65.219 0.60 43.92 ? 328 TRP D CE2 1 +ATOM 16157 C CE3 A TRP D 4 318 ? 11.119 -37.429 -65.561 0.40 48.34 ? 328 TRP D CE3 1 +ATOM 16158 C CE3 B TRP D 4 318 ? 11.082 -37.436 -65.532 0.60 48.44 ? 328 TRP D CE3 1 +ATOM 16159 C CZ2 A TRP D 4 318 ? 12.094 -34.939 -66.499 0.40 49.34 ? 328 TRP D CZ2 1 +ATOM 16160 C CZ2 B TRP D 4 318 ? 12.081 -34.963 -66.484 0.60 49.45 ? 328 TRP D CZ2 1 +ATOM 16161 C CZ3 A TRP D 4 318 ? 11.707 -37.305 -66.811 0.40 43.26 ? 328 TRP D CZ3 1 +ATOM 16162 C CZ3 B TRP D 4 318 ? 11.647 -37.314 -66.797 0.60 43.13 ? 328 TRP D CZ3 1 +ATOM 16163 C CH2 A TRP D 4 318 ? 12.183 -36.071 -67.266 0.40 48.36 ? 328 TRP D CH2 1 +ATOM 16164 C CH2 B TRP D 4 318 ? 12.139 -36.089 -67.255 0.60 48.42 ? 328 TRP D CH2 1 +ATOM 16165 N N . MET D 4 319 ? 7.352 -38.340 -60.699 1.00 46.53 ? 329 MET D N 1 +ATOM 16166 C CA . MET D 4 319 ? 6.746 -39.586 -60.251 1.00 47.26 ? 329 MET D CA 1 +ATOM 16167 C C . MET D 4 319 ? 5.235 -39.491 -60.080 1.00 51.63 ? 329 MET D C 1 +ATOM 16168 O O . MET D 4 319 ? 4.570 -40.527 -60.151 1.00 48.13 ? 329 MET D O 1 +ATOM 16169 C CB . MET D 4 319 ? 7.396 -40.081 -58.944 1.00 47.64 ? 329 MET D CB 1 +ATOM 16170 C CG . MET D 4 319 ? 6.684 -39.665 -57.656 1.00 56.85 ? 329 MET D CG 1 +ATOM 16171 S SD . MET D 4 319 ? 7.403 -40.398 -56.140 1.00 51.94 ? 329 MET D SD 1 +ATOM 16172 C CE . MET D 4 319 ? 6.719 -42.052 -56.113 1.00 50.34 ? 329 MET D CE 1 +ATOM 16173 N N . ALA D 4 320 ? 4.675 -38.289 -59.894 1.00 43.88 ? 330 ALA D N 1 +ATOM 16174 C CA . ALA D 4 320 ? 3.258 -38.189 -59.544 1.00 45.55 ? 330 ALA D CA 1 +ATOM 16175 C C . ALA D 4 320 ? 2.297 -38.779 -60.581 1.00 50.73 ? 330 ALA D C 1 +ATOM 16176 O O . ALA D 4 320 ? 1.328 -39.436 -60.162 1.00 54.79 ? 330 ALA D O 1 +ATOM 16177 C CB . ALA D 4 320 ? 2.888 -36.728 -59.256 1.00 37.20 ? 330 ALA D CB 1 +ATOM 16178 N N . PRO D 4 321 ? 2.456 -38.565 -61.905 1.00 56.60 ? 331 PRO D N 1 +ATOM 16179 C CA . PRO D 4 321 ? 1.456 -39.119 -62.847 1.00 49.66 ? 331 PRO D CA 1 +ATOM 16180 C C . PRO D 4 321 ? 1.331 -40.623 -62.789 1.00 48.41 ? 331 PRO D C 1 +ATOM 16181 O O . PRO D 4 321 ? 0.213 -41.147 -62.807 1.00 49.71 ? 331 PRO D O 1 +ATOM 16182 C CB . PRO D 4 321 ? 1.969 -38.651 -64.218 1.00 47.12 ? 331 PRO D CB 1 +ATOM 16183 C CG . PRO D 4 321 ? 2.691 -37.380 -63.917 1.00 46.19 ? 331 PRO D CG 1 +ATOM 16184 C CD . PRO D 4 321 ? 3.366 -37.620 -62.594 1.00 48.27 ? 331 PRO D CD 1 +ATOM 16185 N N . GLN D 4 322 ? 2.454 -41.336 -62.735 1.00 45.84 ? 332 GLN D N 1 +ATOM 16186 C CA . GLN D 4 322 ? 2.428 -42.784 -62.635 1.00 41.53 ? 332 GLN D CA 1 +ATOM 16187 C C . GLN D 4 322 ? 2.057 -43.242 -61.226 1.00 58.46 ? 332 GLN D C 1 +ATOM 16188 O O . GLN D 4 322 ? 1.326 -44.221 -61.062 1.00 50.13 ? 332 GLN D O 1 +ATOM 16189 C CB . GLN D 4 322 ? 3.787 -43.353 -63.043 1.00 54.78 ? 332 GLN D CB 1 +ATOM 16190 C CG . GLN D 4 322 ? 4.181 -43.080 -64.505 1.00 56.00 ? 332 GLN D CG 1 +ATOM 16191 C CD . GLN D 4 322 ? 4.668 -41.636 -64.739 1.00 89.12 ? 332 GLN D CD 1 +ATOM 16192 O OE1 . GLN D 4 322 ? 4.855 -40.843 -63.784 1.00 63.10 ? 332 GLN D OE1 1 +ATOM 16193 N NE2 . GLN D 4 322 ? 4.857 -41.283 -66.009 1.00 75.92 ? 332 GLN D NE2 1 +ATOM 16194 N N . ASP D 4 323 ? 2.535 -42.542 -60.194 1.00 48.71 ? 333 ASP D N 1 +ATOM 16195 C CA . ASP D 4 323 ? 2.327 -43.010 -58.828 1.00 45.29 ? 333 ASP D CA 1 +ATOM 16196 C C . ASP D 4 323 ? 0.915 -42.716 -58.337 1.00 47.80 ? 333 ASP D C 1 +ATOM 16197 O O . ASP D 4 323 ? 0.423 -43.404 -57.444 1.00 49.24 ? 333 ASP D O 1 +ATOM 16198 C CB . ASP D 4 323 ? 3.395 -42.383 -57.915 1.00 42.33 ? 333 ASP D CB 1 +ATOM 16199 C CG . ASP D 4 323 ? 3.348 -42.904 -56.477 1.00 45.79 ? 333 ASP D CG 1 +ATOM 16200 O OD1 . ASP D 4 323 ? 3.679 -44.094 -56.221 1.00 45.56 ? 333 ASP D OD1 1 +ATOM 16201 O OD2 . ASP D 4 323 ? 2.980 -42.106 -55.599 1.00 47.10 ? 333 ASP D OD2 1 +ATOM 16202 N N . GLN D 4 324 ? 0.231 -41.743 -58.933 1.00 51.55 ? 334 GLN D N 1 +ATOM 16203 C CA . GLN D 4 324 ? -1.125 -41.361 -58.534 1.00 48.31 ? 334 GLN D CA 1 +ATOM 16204 C C . GLN D 4 324 ? -2.047 -41.384 -59.756 1.00 53.63 ? 334 GLN D C 1 +ATOM 16205 O O . GLN D 4 324 ? -2.579 -40.341 -60.166 1.00 52.57 ? 334 GLN D O 1 +ATOM 16206 C CB . GLN D 4 324 ? -1.105 -39.985 -57.865 1.00 47.60 ? 334 GLN D CB 1 +ATOM 16207 C CG . GLN D 4 324 ? -0.141 -39.897 -56.687 1.00 44.99 ? 334 GLN D CG 1 +ATOM 16208 C CD . GLN D 4 324 ? -0.136 -38.537 -56.026 1.00 56.53 ? 334 GLN D CD 1 +ATOM 16209 O OE1 . GLN D 4 324 ? -1.191 -37.941 -55.789 1.00 54.86 ? 334 GLN D OE1 1 +ATOM 16210 N NE2 . GLN D 4 324 ? 1.058 -38.027 -55.733 1.00 45.63 ? 334 GLN D NE2 1 +ATOM 16211 N N . PRO D 4 325 ? -2.277 -42.573 -60.349 1.00 50.93 ? 335 PRO D N 1 +ATOM 16212 C CA . PRO D 4 325 ? -3.034 -42.634 -61.626 1.00 54.91 ? 335 PRO D CA 1 +ATOM 16213 C C . PRO D 4 325 ? -4.465 -42.124 -61.536 1.00 47.77 ? 335 PRO D C 1 +ATOM 16214 O O . PRO D 4 325 ? -4.985 -41.602 -62.521 1.00 55.95 ? 335 PRO D O 1 +ATOM 16215 C CB . PRO D 4 325 ? -2.995 -44.125 -61.992 1.00 52.60 ? 335 PRO D CB 1 +ATOM 16216 C CG . PRO D 4 325 ? -2.758 -44.838 -60.694 1.00 51.48 ? 335 PRO D CG 1 +ATOM 16217 C CD . PRO D 4 325 ? -1.907 -43.911 -59.856 1.00 46.66 ? 335 PRO D CD 1 +ATOM 16218 N N . HIS D 4 326 ? -5.110 -42.227 -60.379 1.00 50.00 ? 336 HIS D N 1 +ATOM 16219 C CA . HIS D 4 326 ? -6.478 -41.743 -60.247 1.00 57.82 ? 336 HIS D CA 1 +ATOM 16220 C C . HIS D 4 326 ? -6.582 -40.226 -60.369 1.00 61.46 ? 336 HIS D C 1 +ATOM 16221 O O . HIS D 4 326 ? -7.679 -39.711 -60.593 1.00 60.13 ? 336 HIS D O 1 +ATOM 16222 C CB . HIS D 4 326 ? -7.038 -42.180 -58.894 1.00 51.32 ? 336 HIS D CB 1 +ATOM 16223 C CG . HIS D 4 326 ? -6.176 -41.758 -57.760 1.00 56.70 ? 336 HIS D CG 1 +ATOM 16224 N ND1 . HIS D 4 326 ? -5.022 -42.434 -57.423 1.00 54.99 ? 336 HIS D ND1 1 +ATOM 16225 C CD2 . HIS D 4 326 ? -6.251 -40.689 -56.934 1.00 51.33 ? 336 HIS D CD2 1 +ATOM 16226 C CE1 . HIS D 4 326 ? -4.436 -41.808 -56.420 1.00 58.07 ? 336 HIS D CE1 1 +ATOM 16227 N NE2 . HIS D 4 326 ? -5.162 -40.746 -56.104 1.00 56.85 ? 336 HIS D NE2 1 +ATOM 16228 N N . GLU D 4 327 ? -5.486 -39.492 -60.170 1.00 52.55 ? 337 GLU D N 1 +ATOM 16229 C CA . GLU D 4 327 ? -5.543 -38.045 -60.337 1.00 50.05 ? 337 GLU D CA 1 +ATOM 16230 C C . GLU D 4 327 ? -5.565 -37.629 -61.808 1.00 53.72 ? 337 GLU D C 1 +ATOM 16231 O O . GLU D 4 327 ? -5.973 -36.507 -62.114 1.00 48.44 ? 337 GLU D O 1 +ATOM 16232 C CB . GLU D 4 327 ? -4.353 -37.376 -59.647 1.00 52.27 ? 337 GLU D CB 1 +ATOM 16233 C CG . GLU D 4 327 ? -4.361 -37.460 -58.129 1.00 56.26 ? 337 GLU D CG 1 +ATOM 16234 C CD . GLU D 4 327 ? -5.306 -36.467 -57.465 1.00 57.49 ? 337 GLU D CD 1 +ATOM 16235 O OE1 . GLU D 4 327 ? -6.037 -35.740 -58.177 1.00 62.20 ? 337 GLU D OE1 1 +ATOM 16236 O OE2 . GLU D 4 327 ? -5.316 -36.403 -56.218 1.00 64.67 ? 337 GLU D OE2 1 +ATOM 16237 N N . ASN D 4 328 ? -5.118 -38.487 -62.719 1.00 50.35 ? 338 ASN D N 1 +ATOM 16238 C CA . ASN D 4 328 ? -5.115 -38.150 -64.137 1.00 56.08 ? 338 ASN D CA 1 +ATOM 16239 C C . ASN D 4 328 ? -4.209 -36.960 -64.440 1.00 52.69 ? 338 ASN D C 1 +ATOM 16240 O O . ASN D 4 328 ? -4.570 -36.067 -65.205 1.00 55.13 ? 338 ASN D O 1 +ATOM 16241 C CB . ASN D 4 328 ? -6.532 -37.873 -64.626 1.00 59.81 ? 338 ASN D CB 1 +ATOM 16242 C CG . ASN D 4 328 ? -7.006 -38.902 -65.581 1.00 102.50 ? 338 ASN D CG 1 +ATOM 16243 O OD1 . ASN D 4 328 ? -6.894 -38.722 -66.798 1.00 111.60 ? 338 ASN D OD1 1 +ATOM 16244 N ND2 . ASN D 4 328 ? -7.520 -40.019 -65.048 1.00 84.72 ? 338 ASN D ND2 1 +ATOM 16245 N N . PHE D 4 329 ? -3.030 -36.924 -63.833 1.00 56.53 ? 339 PHE D N 1 +ATOM 16246 C CA . PHE D 4 329 ? -2.100 -35.836 -64.124 1.00 54.21 ? 339 PHE D CA 1 +ATOM 16247 C C . PHE D 4 329 ? -1.578 -35.987 -65.541 1.00 50.67 ? 339 PHE D C 1 +ATOM 16248 O O . PHE D 4 329 ? -1.070 -37.042 -65.917 1.00 54.48 ? 339 PHE D O 1 +ATOM 16249 C CB . PHE D 4 329 ? -0.919 -35.830 -63.143 1.00 57.67 ? 339 PHE D CB 1 +ATOM 16250 C CG . PHE D 4 329 ? -1.300 -35.546 -61.713 1.00 47.65 ? 339 PHE D CG 1 +ATOM 16251 C CD1 . PHE D 4 329 ? -2.149 -34.492 -61.399 1.00 53.66 ? 339 PHE D CD1 1 +ATOM 16252 C CD2 . PHE D 4 329 ? -0.796 -36.332 -60.685 1.00 46.42 ? 339 PHE D CD2 1 +ATOM 16253 C CE1 . PHE D 4 329 ? -2.486 -34.229 -60.067 1.00 51.33 ? 339 PHE D CE1 1 +ATOM 16254 C CE2 . PHE D 4 329 ? -1.120 -36.081 -59.349 1.00 50.26 ? 339 PHE D CE2 1 +ATOM 16255 C CZ . PHE D 4 329 ? -1.965 -35.029 -59.039 1.00 52.71 ? 339 PHE D CZ 1 +ATOM 16256 N N . VAL D 4 330 ? -1.717 -34.936 -66.330 1.00 52.82 ? 340 VAL D N 1 +ATOM 16257 C CA . VAL D 4 330 ? -1.069 -34.829 -67.625 1.00 51.99 ? 340 VAL D CA 1 +ATOM 16258 C C . VAL D 4 330 ? -0.136 -33.627 -67.543 1.00 53.99 ? 340 VAL D C 1 +ATOM 16259 O O . VAL D 4 330 ? -0.591 -32.478 -67.444 1.00 53.24 ? 340 VAL D O 1 +ATOM 16260 C CB . VAL D 4 330 ? -2.086 -34.691 -68.766 1.00 60.41 ? 340 VAL D CB 1 +ATOM 16261 C CG1 . VAL D 4 330 ? -1.361 -34.493 -70.083 1.00 53.82 ? 340 VAL D CG1 1 +ATOM 16262 C CG2 . VAL D 4 330 ? -2.973 -35.957 -68.805 1.00 56.62 ? 340 VAL D CG2 1 +ATOM 16263 N N . PHE D 4 331 ? 1.163 -33.897 -67.507 1.00 50.77 ? 341 PHE D N 1 +ATOM 16264 C CA . PHE D 4 331 ? 2.170 -32.850 -67.400 1.00 56.92 ? 341 PHE D CA 1 +ATOM 16265 C C . PHE D 4 331 ? 2.896 -32.841 -68.743 1.00 64.81 ? 341 PHE D C 1 +ATOM 16266 O O . PHE D 4 331 ? 3.685 -33.764 -69.010 1.00 54.16 ? 341 PHE D O 1 +ATOM 16267 C CB . PHE D 4 331 ? 3.171 -33.106 -66.260 1.00 51.46 ? 341 PHE D CB 1 +ATOM 16268 C CG . PHE D 4 331 ? 2.583 -33.133 -64.836 1.00 52.47 ? 341 PHE D CG 1 +ATOM 16269 C CD1 . PHE D 4 331 ? 1.376 -32.523 -64.520 1.00 50.93 ? 341 PHE D CD1 1 +ATOM 16270 C CD2 . PHE D 4 331 ? 3.304 -33.747 -63.797 1.00 47.89 ? 341 PHE D CD2 1 +ATOM 16271 C CE1 . PHE D 4 331 ? 0.892 -32.525 -63.193 1.00 51.77 ? 341 PHE D CE1 1 +ATOM 16272 C CE2 . PHE D 4 331 ? 2.831 -33.755 -62.468 1.00 55.07 ? 341 PHE D CE2 1 +ATOM 16273 C CZ . PHE D 4 331 ? 1.624 -33.153 -62.165 1.00 50.16 ? 341 PHE D CZ 1 +ATOM 16274 N N . PRO D 4 332 ? 2.652 -31.871 -69.633 1.00 57.23 ? 342 PRO D N 1 +ATOM 16275 C CA . PRO D 4 332 ? 3.401 -31.832 -70.902 1.00 48.83 ? 342 PRO D CA 1 +ATOM 16276 C C . PRO D 4 332 ? 4.893 -31.697 -70.634 1.00 53.03 ? 342 PRO D C 1 +ATOM 16277 O O . PRO D 4 332 ? 5.313 -31.216 -69.587 1.00 57.95 ? 342 PRO D O 1 +ATOM 16278 C CB . PRO D 4 332 ? 2.853 -30.589 -71.614 1.00 51.22 ? 342 PRO D CB 1 +ATOM 16279 C CG . PRO D 4 332 ? 1.565 -30.271 -70.943 1.00 53.88 ? 342 PRO D CG 1 +ATOM 16280 C CD . PRO D 4 332 ? 1.641 -30.803 -69.534 1.00 49.88 ? 342 PRO D CD 1 +ATOM 16281 N N . GLU D 4 333 ? 5.697 -32.131 -71.601 1.00 58.13 ? 343 GLU D N 1 +ATOM 16282 C CA . GLU D 4 333 ? 7.150 -32.077 -71.456 1.00 54.88 ? 343 GLU D CA 1 +ATOM 16283 C C . GLU D 4 333 ? 7.631 -30.706 -71.023 1.00 64.59 ? 343 GLU D C 1 +ATOM 16284 O O . GLU D 4 333 ? 8.602 -30.585 -70.259 1.00 51.21 ? 343 GLU D O 1 +ATOM 16285 C CB . GLU D 4 333 ? 7.824 -32.404 -72.783 1.00 57.34 ? 343 GLU D CB 1 +ATOM 16286 C CG . GLU D 4 333 ? 7.497 -33.709 -73.378 1.00 64.03 ? 343 GLU D CG 1 +ATOM 16287 C CD . GLU D 4 333 ? 8.568 -34.099 -74.378 1.00 97.20 ? 343 GLU D CD 1 +ATOM 16288 O OE1 . GLU D 4 333 ? 9.697 -33.544 -74.265 1.00 74.63 ? 343 GLU D OE1 1 +ATOM 16289 O OE2 . GLU D 4 333 ? 8.282 -34.952 -75.259 1.00 78.30 ? 343 GLU D OE2 1 +ATOM 16290 N N . GLU D 4 334 ? 6.986 -29.655 -71.537 1.00 48.65 ? 344 GLU D N 1 +ATOM 16291 C CA . GLU D 4 334 ? 7.504 -28.315 -71.344 1.00 53.27 ? 344 GLU D CA 1 +ATOM 16292 C C . GLU D 4 334 ? 7.360 -27.835 -69.902 1.00 47.19 ? 344 GLU D C 1 +ATOM 16293 O O . GLU D 4 334 ? 8.090 -26.916 -69.499 1.00 48.53 ? 344 GLU D O 1 +ATOM 16294 C CB . GLU D 4 334 ? 6.818 -27.356 -72.327 1.00 47.92 ? 344 GLU D CB 1 +ATOM 16295 C CG . GLU D 4 334 ? 5.350 -27.110 -72.022 1.00 49.37 ? 344 GLU D CG 1 +ATOM 16296 C CD . GLU D 4 334 ? 4.623 -26.437 -73.180 1.00 56.17 ? 344 GLU D CD 1 +ATOM 16297 O OE1 . GLU D 4 334 ? 4.578 -27.034 -74.269 1.00 49.48 ? 344 GLU D OE1 1 +ATOM 16298 O OE2 . GLU D 4 334 ? 4.112 -25.304 -72.997 1.00 53.69 ? 344 GLU D OE2 1 +ATOM 16299 N N . VAL D 4 335 ? 6.454 -28.428 -69.108 1.00 43.64 ? 345 VAL D N 1 +ATOM 16300 C CA . VAL D 4 335 ? 6.318 -28.000 -67.713 1.00 47.93 ? 345 VAL D CA 1 +ATOM 16301 C C . VAL D 4 335 ? 7.194 -28.796 -66.759 1.00 51.15 ? 345 VAL D C 1 +ATOM 16302 O O . VAL D 4 335 ? 7.272 -28.439 -65.578 1.00 54.51 ? 345 VAL D O 1 +ATOM 16303 C CB . VAL D 4 335 ? 4.872 -28.079 -67.161 1.00 54.60 ? 345 VAL D CB 1 +ATOM 16304 C CG1 . VAL D 4 335 ? 3.883 -27.449 -68.134 1.00 55.41 ? 345 VAL D CG1 1 +ATOM 16305 C CG2 . VAL D 4 335 ? 4.471 -29.519 -66.862 1.00 46.38 ? 345 VAL D CG2 1 +ATOM 16306 N N . LEU D 4 336 ? 7.853 -29.853 -67.216 1.00 49.79 ? 346 LEU D N 1 +ATOM 16307 C CA . LEU D 4 336 ? 8.622 -30.691 -66.290 1.00 52.71 ? 346 LEU D CA 1 +ATOM 16308 C C . LEU D 4 336 ? 9.887 -29.963 -65.835 1.00 53.71 ? 346 LEU D C 1 +ATOM 16309 O O . LEU D 4 336 ? 10.670 -29.509 -66.677 1.00 47.14 ? 346 LEU D O 1 +ATOM 16310 C CB . LEU D 4 336 ? 8.989 -32.019 -66.952 1.00 47.95 ? 346 LEU D CB 1 +ATOM 16311 C CG . LEU D 4 336 ? 7.849 -33.034 -67.110 1.00 55.22 ? 346 LEU D CG 1 +ATOM 16312 C CD1 . LEU D 4 336 ? 8.350 -34.184 -67.951 1.00 53.77 ? 346 LEU D CD1 1 +ATOM 16313 C CD2 . LEU D 4 336 ? 7.377 -33.541 -65.738 1.00 47.18 ? 346 LEU D CD2 1 +ATOM 16314 N N A PRO D 4 337 ? 10.118 -29.822 -64.527 0.40 50.72 ? 347 PRO D N 1 +ATOM 16315 N N B PRO D 4 337 ? 10.135 -29.841 -64.530 0.60 50.84 ? 347 PRO D N 1 +ATOM 16316 C CA A PRO D 4 337 ? 11.379 -29.204 -64.083 0.40 45.44 ? 347 PRO D CA 1 +ATOM 16317 C CA B PRO D 4 337 ? 11.388 -29.205 -64.075 0.60 45.41 ? 347 PRO D CA 1 +ATOM 16318 C C A PRO D 4 337 ? 12.560 -30.100 -64.441 0.40 43.08 ? 347 PRO D C 1 +ATOM 16319 C C B PRO D 4 337 ? 12.585 -30.078 -64.430 0.60 42.98 ? 347 PRO D C 1 +ATOM 16320 O O A PRO D 4 337 ? 12.521 -31.315 -64.237 0.40 42.83 ? 347 PRO D O 1 +ATOM 16321 O O B PRO D 4 337 ? 12.560 -31.296 -64.239 0.60 42.68 ? 347 PRO D O 1 +ATOM 16322 C CB A PRO D 4 337 ? 11.193 -29.074 -62.568 0.40 46.27 ? 347 PRO D CB 1 +ATOM 16323 C CB B PRO D 4 337 ? 11.197 -29.090 -62.557 0.60 46.27 ? 347 PRO D CB 1 +ATOM 16324 C CG A PRO D 4 337 ? 10.279 -30.275 -62.239 0.40 51.77 ? 347 PRO D CG 1 +ATOM 16325 C CG B PRO D 4 337 ? 10.239 -30.239 -62.236 0.60 52.00 ? 347 PRO D CG 1 +ATOM 16326 C CD A PRO D 4 337 ? 9.315 -30.342 -63.404 0.40 44.18 ? 347 PRO D CD 1 +ATOM 16327 C CD B PRO D 4 337 ? 9.287 -30.276 -63.405 0.60 44.10 ? 347 PRO D CD 1 +ATOM 16328 N N A ARG D 4 338 ? 13.606 -29.488 -64.991 0.40 46.51 ? 348 ARG D N 1 +ATOM 16329 N N B ARG D 4 338 ? 13.627 -29.449 -64.969 0.60 46.61 ? 348 ARG D N 1 +ATOM 16330 C CA A ARG D 4 338 ? 14.815 -30.168 -65.449 0.40 46.28 ? 348 ARG D CA 1 +ATOM 16331 C CA B ARG D 4 338 ? 14.818 -30.141 -65.457 0.60 46.35 ? 348 ARG D CA 1 +ATOM 16332 C C A ARG D 4 338 ? 15.958 -29.163 -65.421 0.40 48.60 ? 348 ARG D C 1 +ATOM 16333 C C B ARG D 4 338 ? 15.971 -29.150 -65.442 0.60 48.76 ? 348 ARG D C 1 +ATOM 16334 O O A ARG D 4 338 ? 15.767 -28.002 -65.793 0.40 44.28 ? 348 ARG D O 1 +ATOM 16335 O O B ARG D 4 338 ? 15.782 -27.981 -65.780 0.60 44.29 ? 348 ARG D O 1 +ATOM 16336 C CB A ARG D 4 338 ? 14.697 -30.686 -66.902 0.40 48.45 ? 348 ARG D CB 1 +ATOM 16337 C CB B ARG D 4 338 ? 14.656 -30.665 -66.898 0.60 48.49 ? 348 ARG D CB 1 +ATOM 16338 C CG A ARG D 4 338 ? 13.517 -31.581 -67.218 0.40 56.80 ? 348 ARG D CG 1 +ATOM 16339 C CG B ARG D 4 338 ? 13.475 -31.579 -67.146 0.60 57.18 ? 348 ARG D CG 1 +ATOM 16340 C CD A ARG D 4 338 ? 13.475 -31.967 -68.676 0.40 49.95 ? 348 ARG D CD 1 +ATOM 16341 C CD B ARG D 4 338 ? 13.368 -31.949 -68.588 0.60 49.76 ? 348 ARG D CD 1 +ATOM 16342 N NE A ARG D 4 338 ? 14.435 -33.004 -69.041 0.40 49.34 ? 348 ARG D NE 1 +ATOM 16343 N NE B ARG D 4 338 ? 14.380 -32.918 -68.990 0.60 49.46 ? 348 ARG D NE 1 +ATOM 16344 C CZ A ARG D 4 338 ? 14.300 -33.772 -70.115 0.40 55.58 ? 348 ARG D CZ 1 +ATOM 16345 C CZ B ARG D 4 338 ? 14.268 -33.684 -70.064 0.60 55.78 ? 348 ARG D CZ 1 +ATOM 16346 N NH1 A ARG D 4 338 ? 13.262 -33.643 -70.923 0.40 51.62 ? 348 ARG D NH1 1 +ATOM 16347 N NH1 B ARG D 4 338 ? 13.205 -33.611 -70.849 0.60 51.50 ? 348 ARG D NH1 1 +ATOM 16348 N NH2 A ARG D 4 338 ? 15.220 -34.693 -70.380 0.40 44.79 ? 348 ARG D NH2 1 +ATOM 16349 N NH2 B ARG D 4 338 ? 15.230 -34.559 -70.342 0.60 44.90 ? 348 ARG D NH2 1 +ATOM 16350 N N A GLY D 4 339 ? 17.152 -29.611 -65.055 0.40 46.29 ? 349 GLY D N 1 +ATOM 16351 N N B GLY D 4 339 ? 17.162 -29.624 -65.100 0.60 46.34 ? 349 GLY D N 1 +ATOM 16352 C CA A GLY D 4 339 ? 18.328 -28.770 -65.199 0.40 45.11 ? 349 GLY D CA 1 +ATOM 16353 C CA B GLY D 4 339 ? 18.352 -28.810 -65.236 0.60 45.22 ? 349 GLY D CA 1 +ATOM 16354 C C A GLY D 4 339 ? 18.791 -28.745 -66.644 0.40 49.41 ? 349 GLY D C 1 +ATOM 16355 C C B GLY D 4 339 ? 18.807 -28.760 -66.681 0.60 49.56 ? 349 GLY D C 1 +ATOM 16356 O O A GLY D 4 339 ? 18.107 -29.214 -67.554 0.40 49.76 ? 349 GLY D O 1 +ATOM 16357 O O B GLY D 4 339 ? 18.143 -29.247 -67.597 0.60 49.99 ? 349 GLY D O 1 +ATOM 16358 N N A ASN D 4 340 ? 19.982 -28.194 -66.856 0.40 46.06 ? 350 ASN D N 1 +ATOM 16359 N N B ASN D 4 340 ? 19.969 -28.151 -66.882 0.60 46.16 ? 350 ASN D N 1 +ATOM 16360 C CA A ASN D 4 340 ? 20.533 -28.137 -68.207 0.40 41.31 ? 350 ASN D CA 1 +ATOM 16361 C CA B ASN D 4 340 ? 20.550 -28.084 -68.215 0.60 41.16 ? 350 ASN D CA 1 +ATOM 16362 C C A ASN D 4 340 ? 20.891 -29.543 -68.687 0.40 45.93 ? 350 ASN D C 1 +ATOM 16363 C C B ASN D 4 340 ? 20.930 -29.481 -68.700 0.60 45.98 ? 350 ASN D C 1 +ATOM 16364 O O A ASN D 4 340 ? 21.409 -30.360 -67.922 0.40 43.84 ? 350 ASN D O 1 +ATOM 16365 O O B ASN D 4 340 ? 21.447 -30.302 -67.934 0.60 43.95 ? 350 ASN D O 1 +ATOM 16366 C CB A ASN D 4 340 ? 21.773 -27.234 -68.242 0.40 41.14 ? 350 ASN D CB 1 +ATOM 16367 C CB B ASN D 4 340 ? 21.779 -27.174 -68.199 0.60 41.08 ? 350 ASN D CB 1 +ATOM 16368 C CG A ASN D 4 340 ? 22.074 -26.693 -69.633 0.40 49.45 ? 350 ASN D CG 1 +ATOM 16369 C CG B ASN D 4 340 ? 22.154 -26.663 -69.582 0.60 49.61 ? 350 ASN D CG 1 +ATOM 16370 O OD1 A ASN D 4 340 ? 21.208 -26.120 -70.299 0.40 46.59 ? 350 ASN D OD1 1 +ATOM 16371 O OD1 B ASN D 4 340 ? 21.354 -26.021 -70.262 0.60 46.66 ? 350 ASN D OD1 1 +ATOM 16372 N ND2 A ASN D 4 340 ? 23.310 -26.853 -70.067 0.40 44.30 ? 350 ASN D ND2 1 +ATOM 16373 N ND2 B ASN D 4 340 ? 23.385 -26.913 -69.984 0.60 44.29 ? 350 ASN D ND2 1 +ATOM 16374 N N A ALA D 4 341 ? 20.565 -29.831 -69.953 0.40 44.97 ? 351 ALA D N 1 +ATOM 16375 N N B ALA D 4 341 ? 20.636 -29.758 -69.974 0.60 45.03 ? 351 ALA D N 1 +ATOM 16376 C CA A ALA D 4 341 ? 20.989 -31.037 -70.662 0.40 45.52 ? 351 ALA D CA 1 +ATOM 16377 C CA B ALA D 4 341 ? 21.073 -30.958 -70.685 0.60 45.35 ? 351 ALA D CA 1 +ATOM 16378 C C A ALA D 4 341 ? 20.246 -32.309 -70.233 0.40 47.21 ? 351 ALA D C 1 +ATOM 16379 C C B ALA D 4 341 ? 20.365 -32.239 -70.236 0.60 47.48 ? 351 ALA D C 1 +ATOM 16380 O O A ALA D 4 341 ? 19.743 -33.044 -71.089 0.40 46.67 ? 351 ALA D O 1 +ATOM 16381 O O B ALA D 4 341 ? 20.012 -33.074 -71.073 0.60 46.34 ? 351 ALA D O 1 +ATOM 16382 C CB A ALA D 4 341 ? 22.505 -31.236 -70.533 0.40 44.57 ? 351 ALA D CB 1 +ATOM 16383 C CB B ALA D 4 341 ? 22.593 -31.130 -70.571 0.60 44.43 ? 351 ALA D CB 1 +ATOM 16384 N N A LEU D 4 342 ? 20.142 -32.565 -68.935 0.40 48.23 ? 352 LEU D N 1 +ATOM 16385 N N B LEU D 4 342 ? 20.152 -32.420 -68.938 0.60 48.51 ? 352 LEU D N 1 +ATOM 16386 C CA A LEU D 4 342 ? 19.572 -33.814 -68.450 0.40 50.30 ? 352 LEU D CA 1 +ATOM 16387 C CA B LEU D 4 342 ? 19.601 -33.681 -68.453 0.60 50.36 ? 352 LEU D CA 1 +ATOM 16388 C C A LEU D 4 342 ? 18.058 -33.862 -68.634 0.40 47.27 ? 352 LEU D C 1 +ATOM 16389 C C B LEU D 4 342 ? 18.094 -33.745 -68.633 0.60 47.24 ? 352 LEU D C 1 +ATOM 16390 O O A LEU D 4 342 ? 17.484 -34.949 -68.633 0.40 49.96 ? 352 LEU D O 1 +ATOM 16391 O O B LEU D 4 342 ? 17.504 -34.817 -68.558 0.60 49.98 ? 352 LEU D O 1 +ATOM 16392 C CB A LEU D 4 342 ? 19.928 -34.033 -66.967 0.40 45.56 ? 352 LEU D CB 1 +ATOM 16393 C CB B LEU D 4 342 ? 19.964 -33.902 -66.977 0.60 45.73 ? 352 LEU D CB 1 +ATOM 16394 C CG A LEU D 4 342 ? 21.431 -34.074 -66.674 0.40 49.34 ? 352 LEU D CG 1 +ATOM 16395 C CG B LEU D 4 342 ? 21.455 -34.098 -66.702 0.60 49.46 ? 352 LEU D CG 1 +ATOM 16396 C CD1 A LEU D 4 342 ? 21.701 -34.559 -65.246 0.40 48.65 ? 352 LEU D CD1 1 +ATOM 16397 C CD1 B LEU D 4 342 ? 21.659 -34.669 -65.303 0.60 48.48 ? 352 LEU D CD1 1 +ATOM 16398 C CD2 A LEU D 4 342 ? 22.135 -34.985 -67.687 0.40 48.48 ? 352 LEU D CD2 1 +ATOM 16399 C CD2 B LEU D 4 342 ? 22.079 -35.017 -67.771 0.60 48.37 ? 352 LEU D CD2 1 +ATOM 16400 O OXT A LEU D 4 342 ? 17.378 -32.850 -68.760 0.40 47.56 ? 352 LEU D OXT 1 +ATOM 16401 O OXT B LEU D 4 342 ? 17.433 -32.739 -68.852 0.60 47.63 ? 352 LEU D OXT 1 +ATOM 16402 N N . THR E 5 4 ? 13.270 -81.151 -22.229 1.00 90.36 ? 4 THR E N 1 +ATOM 16403 C CA . THR E 5 4 ? 12.444 -81.591 -23.356 1.00 101.87 ? 4 THR E CA 1 +ATOM 16404 C C . THR E 5 4 ? 10.951 -81.496 -23.047 1.00 93.46 ? 4 THR E C 1 +ATOM 16405 O O . THR E 5 4 ? 10.558 -81.577 -21.892 1.00 87.04 ? 4 THR E O 1 +ATOM 16406 C CB . THR E 5 4 ? 12.755 -83.034 -23.747 1.00 100.41 ? 4 THR E CB 1 +ATOM 16407 O OG1 . THR E 5 4 ? 11.685 -83.542 -24.556 1.00 112.36 ? 4 THR E OG1 1 +ATOM 16408 C CG2 . THR E 5 4 ? 12.885 -83.898 -22.492 1.00 128.62 ? 4 THR E CG2 1 +ATOM 16409 N N . THR E 5 5 ? 10.121 -81.364 -24.085 1.00 92.62 ? 5 THR E N 1 +ATOM 16410 C CA . THR E 5 5 ? 8.680 -81.185 -23.930 1.00 85.10 ? 5 THR E CA 1 +ATOM 16411 C C . THR E 5 5 ? 7.850 -82.408 -24.310 1.00 102.33 ? 5 THR E C 1 +ATOM 16412 O O . THR E 5 5 ? 6.615 -82.310 -24.328 1.00 99.12 ? 5 THR E O 1 +ATOM 16413 C CB . THR E 5 5 ? 8.198 -79.996 -24.771 1.00 82.44 ? 5 THR E CB 1 +ATOM 16414 O OG1 . THR E 5 5 ? 8.813 -80.067 -26.065 1.00 72.85 ? 5 THR E OG1 1 +ATOM 16415 C CG2 . THR E 5 5 ? 8.546 -78.672 -24.097 1.00 78.54 ? 5 THR E CG2 1 +ATOM 16416 N N . GLY E 5 6 ? 8.468 -83.537 -24.650 1.00 71.22 ? 6 GLY E N 1 +ATOM 16417 C CA . GLY E 5 6 ? 7.739 -84.775 -24.803 1.00 76.17 ? 6 GLY E CA 1 +ATOM 16418 C C . GLY E 5 6 ? 7.464 -85.202 -26.233 1.00 89.28 ? 6 GLY E C 1 +ATOM 16419 O O . GLY E 5 6 ? 7.261 -86.396 -26.473 1.00 96.62 ? 6 GLY E O 1 +ATOM 16420 N N . GLU E 5 7 ? 7.422 -84.276 -27.184 1.00 84.02 ? 7 GLU E N 1 +ATOM 16421 C CA . GLU E 5 7 ? 7.268 -84.681 -28.566 1.00 68.74 ? 7 GLU E CA 1 +ATOM 16422 C C . GLU E 5 7 ? 8.514 -85.438 -29.016 1.00 74.44 ? 7 GLU E C 1 +ATOM 16423 O O . GLU E 5 7 ? 9.586 -85.343 -28.413 1.00 75.76 ? 7 GLU E O 1 +ATOM 16424 C CB . GLU E 5 7 ? 7.030 -83.471 -29.472 1.00 79.74 ? 7 GLU E CB 1 +ATOM 16425 C CG . GLU E 5 7 ? 5.822 -82.623 -29.120 1.00 67.05 ? 7 GLU E CG 1 +ATOM 16426 C CD . GLU E 5 7 ? 6.154 -81.479 -28.167 1.00 75.83 ? 7 GLU E CD 1 +ATOM 16427 O OE1 . GLU E 5 7 ? 7.274 -81.446 -27.610 1.00 68.50 ? 7 GLU E OE1 1 +ATOM 16428 O OE2 . GLU E 5 7 ? 5.284 -80.609 -27.986 1.00 65.58 ? 7 GLU E OE2 1 +ATOM 16429 N N . ARG E 5 8 ? 8.363 -86.196 -30.084 1.00 60.72 ? 8 ARG E N 1 +ATOM 16430 C CA . ARG E 5 8 ? 9.466 -87.002 -30.575 1.00 67.43 ? 8 ARG E CA 1 +ATOM 16431 C C . ARG E 5 8 ? 10.497 -86.086 -31.228 1.00 75.06 ? 8 ARG E C 1 +ATOM 16432 O O . ARG E 5 8 ? 10.123 -85.195 -32.000 1.00 76.27 ? 8 ARG E O 1 +ATOM 16433 C CB . ARG E 5 8 ? 8.935 -88.050 -31.563 1.00 68.80 ? 8 ARG E CB 1 +ATOM 16434 C CG . ARG E 5 8 ? 9.973 -88.976 -32.203 1.00 68.30 ? 8 ARG E CG 1 +ATOM 16435 C CD . ARG E 5 8 ? 9.276 -90.063 -33.035 1.00 78.47 ? 8 ARG E CD 1 +ATOM 16436 N NE . ARG E 5 8 ? 10.229 -90.903 -33.753 1.00 89.36 ? 8 ARG E NE 1 +ATOM 16437 C CZ . ARG E 5 8 ? 9.965 -91.559 -34.878 1.00 92.10 ? 8 ARG E CZ 1 +ATOM 16438 N NH1 . ARG E 5 8 ? 8.762 -91.531 -35.435 1.00 76.99 ? 8 ARG E NH1 1 +ATOM 16439 N NH2 . ARG E 5 8 ? 10.936 -92.253 -35.467 1.00 92.28 ? 8 ARG E NH2 1 +ATOM 16440 N N . PRO E 5 9 ? 11.786 -86.258 -30.946 1.00 75.04 ? 9 PRO E N 1 +ATOM 16441 C CA . PRO E 5 9 ? 12.799 -85.412 -31.591 1.00 64.14 ? 9 PRO E CA 1 +ATOM 16442 C C . PRO E 5 9 ? 12.665 -85.410 -33.112 1.00 86.02 ? 9 PRO E C 1 +ATOM 16443 O O . PRO E 5 9 ? 12.372 -86.437 -33.731 1.00 71.64 ? 9 PRO E O 1 +ATOM 16444 C CB . PRO E 5 9 ? 14.121 -86.038 -31.140 1.00 72.16 ? 9 PRO E CB 1 +ATOM 16445 C CG . PRO E 5 9 ? 13.790 -86.720 -29.847 1.00 80.54 ? 9 PRO E CG 1 +ATOM 16446 C CD . PRO E 5 9 ? 12.369 -87.196 -29.974 1.00 70.83 ? 9 PRO E CD 1 +ATOM 16447 N N . PHE E 5 10 ? 12.864 -84.224 -33.708 1.00 73.53 ? 10 PHE E N 1 +ATOM 16448 C CA . PHE E 5 10 ? 12.828 -84.093 -35.163 1.00 70.84 ? 10 PHE E CA 1 +ATOM 16449 C C . PHE E 5 10 ? 13.890 -84.963 -35.828 1.00 69.83 ? 10 PHE E C 1 +ATOM 16450 O O . PHE E 5 10 ? 13.640 -85.563 -36.882 1.00 74.63 ? 10 PHE E O 1 +ATOM 16451 C CB . PHE E 5 10 ? 13.012 -82.622 -35.586 1.00 73.18 ? 10 PHE E CB 1 +ATOM 16452 C CG . PHE E 5 10 ? 11.771 -81.765 -35.434 1.00 80.08 ? 10 PHE E CG 1 +ATOM 16453 C CD1 . PHE E 5 10 ? 10.659 -81.970 -36.248 1.00 62.17 ? 10 PHE E CD1 1 +ATOM 16454 C CD2 . PHE E 5 10 ? 11.733 -80.732 -34.496 1.00 75.52 ? 10 PHE E CD2 1 +ATOM 16455 C CE1 . PHE E 5 10 ? 9.526 -81.190 -36.113 1.00 68.66 ? 10 PHE E CE1 1 +ATOM 16456 C CE2 . PHE E 5 10 ? 10.601 -79.934 -34.351 1.00 60.58 ? 10 PHE E CE2 1 +ATOM 16457 C CZ . PHE E 5 10 ? 9.496 -80.160 -35.163 1.00 68.17 ? 10 PHE E CZ 1 +ATOM 16458 N N . SER E 5 11 ? 15.094 -85.017 -35.255 1.00 62.99 ? 11 SER E N 1 +ATOM 16459 C CA . SER E 5 11 ? 16.156 -85.817 -35.868 1.00 79.78 ? 11 SER E CA 1 +ATOM 16460 C C . SER E 5 11 ? 15.809 -87.303 -35.867 1.00 84.67 ? 11 SER E C 1 +ATOM 16461 O O . SER E 5 11 ? 16.189 -88.034 -36.789 1.00 72.96 ? 11 SER E O 1 +ATOM 16462 C CB . SER E 5 11 ? 17.480 -85.575 -35.144 1.00 80.05 ? 11 SER E CB 1 +ATOM 16463 O OG . SER E 5 11 ? 17.399 -85.976 -33.786 1.00 89.11 ? 11 SER E OG 1 +ATOM 16464 N N . ASP E 5 12 ? 15.096 -87.754 -34.835 1.00 73.83 ? 12 ASP E N 1 +ATOM 16465 C CA . ASP E 5 12 ? 14.530 -89.097 -34.809 1.00 71.89 ? 12 ASP E CA 1 +ATOM 16466 C C . ASP E 5 12 ? 13.595 -89.305 -35.992 1.00 69.14 ? 12 ASP E C 1 +ATOM 16467 O O . ASP E 5 12 ? 13.718 -90.286 -36.733 1.00 80.74 ? 12 ASP E O 1 +ATOM 16468 C CB . ASP E 5 12 ? 13.794 -89.291 -33.472 1.00 87.69 ? 12 ASP E CB 1 +ATOM 16469 C CG . ASP E 5 12 ? 13.301 -90.719 -33.230 1.00 100.66 ? 12 ASP E CG 1 +ATOM 16470 O OD1 . ASP E 5 12 ? 13.042 -91.471 -34.189 1.00 94.31 ? 12 ASP E OD1 1 +ATOM 16471 O OD2 . ASP E 5 12 ? 13.131 -91.080 -32.041 1.00 104.66 ? 12 ASP E OD2 1 +ATOM 16472 N N . ILE E 5 13 ? 12.672 -88.366 -36.203 1.00 72.65 ? 13 ILE E N 1 +ATOM 16473 C CA . ILE E 5 13 ? 11.601 -88.567 -37.172 1.00 65.11 ? 13 ILE E CA 1 +ATOM 16474 C C . ILE E 5 13 ? 12.151 -88.567 -38.594 1.00 68.72 ? 13 ILE E C 1 +ATOM 16475 O O . ILE E 5 13 ? 11.850 -89.460 -39.394 1.00 67.99 ? 13 ILE E O 1 +ATOM 16476 C CB . ILE E 5 13 ? 10.509 -87.494 -36.996 1.00 76.85 ? 13 ILE E CB 1 +ATOM 16477 C CG1 . ILE E 5 13 ? 9.878 -87.579 -35.607 1.00 77.05 ? 13 ILE E CG1 1 +ATOM 16478 C CG2 . ILE E 5 13 ? 9.430 -87.632 -38.083 1.00 76.26 ? 13 ILE E CG2 1 +ATOM 16479 C CD1 . ILE E 5 13 ? 8.850 -86.482 -35.332 1.00 74.26 ? 13 ILE E CD1 1 +ATOM 16480 N N . ILE E 5 14 ? 12.966 -87.569 -38.937 1.00 72.24 ? 14 ILE E N 1 +ATOM 16481 C CA . ILE E 5 14 ? 13.291 -87.392 -40.352 1.00 90.04 ? 14 ILE E CA 1 +ATOM 16482 C C . ILE E 5 14 ? 14.362 -88.355 -40.838 1.00 87.63 ? 14 ILE E C 1 +ATOM 16483 O O . ILE E 5 14 ? 14.633 -88.395 -42.045 1.00 80.41 ? 14 ILE E O 1 +ATOM 16484 C CB . ILE E 5 14 ? 13.694 -85.938 -40.661 1.00 86.98 ? 14 ILE E CB 1 +ATOM 16485 C CG1 . ILE E 5 14 ? 14.995 -85.572 -39.948 1.00 84.50 ? 14 ILE E CG1 1 +ATOM 16486 C CG2 . ILE E 5 14 ? 12.551 -84.995 -40.290 1.00 62.68 ? 14 ILE E CG2 1 +ATOM 16487 C CD1 . ILE E 5 14 ? 15.735 -84.430 -40.609 1.00 80.14 ? 14 ILE E CD1 1 +ATOM 16488 N N . THR E 5 15 ? 14.955 -89.150 -39.945 1.00 70.95 ? 15 THR E N 1 +ATOM 16489 C CA . THR E 5 15 ? 15.837 -90.243 -40.340 1.00 85.99 ? 15 THR E CA 1 +ATOM 16490 C C . THR E 5 15 ? 15.152 -91.604 -40.264 1.00 70.57 ? 15 THR E C 1 +ATOM 16491 O O . THR E 5 15 ? 15.819 -92.630 -40.392 1.00 80.73 ? 15 THR E O 1 +ATOM 16492 C CB . THR E 5 15 ? 17.102 -90.249 -39.477 1.00 70.47 ? 15 THR E CB 1 +ATOM 16493 O OG1 . THR E 5 15 ? 16.748 -90.419 -38.096 1.00 67.69 ? 15 THR E OG1 1 +ATOM 16494 C CG2 . THR E 5 15 ? 17.881 -88.946 -39.679 1.00 77.85 ? 15 THR E CG2 1 +ATOM 16495 N N . SER E 5 16 ? 13.840 -91.628 -40.056 1.00 76.30 ? 16 SER E N 1 +ATOM 16496 C CA . SER E 5 16 ? 13.083 -92.859 -39.947 1.00 65.31 ? 16 SER E CA 1 +ATOM 16497 C C . SER E 5 16 ? 12.504 -93.229 -41.307 1.00 79.02 ? 16 SER E C 1 +ATOM 16498 O O . SER E 5 16 ? 11.938 -92.376 -42.002 1.00 75.76 ? 16 SER E O 1 +ATOM 16499 C CB . SER E 5 16 ? 11.966 -92.704 -38.918 1.00 72.51 ? 16 SER E CB 1 +ATOM 16500 O OG . SER E 5 16 ? 10.802 -92.169 -39.518 1.00 74.95 ? 16 SER E OG 1 +ATOM 16501 N N . VAL E 5 17 ? 12.645 -94.503 -41.679 1.00 81.74 ? 17 VAL E N 1 +ATOM 16502 C CA . VAL E 5 17 ? 12.155 -94.960 -42.979 1.00 83.50 ? 17 VAL E CA 1 +ATOM 16503 C C . VAL E 5 17 ? 10.671 -94.645 -43.141 1.00 69.03 ? 17 VAL E C 1 +ATOM 16504 O O . VAL E 5 17 ? 10.221 -94.265 -44.228 1.00 70.81 ? 17 VAL E O 1 +ATOM 16505 C CB . VAL E 5 17 ? 12.442 -96.468 -43.154 1.00 85.67 ? 17 VAL E CB 1 +ATOM 16506 C CG1 . VAL E 5 17 ? 11.835 -96.999 -44.452 1.00 69.55 ? 17 VAL E CG1 1 +ATOM 16507 C CG2 . VAL E 5 17 ? 13.934 -96.723 -43.135 1.00 80.37 ? 17 VAL E CG2 1 +ATOM 16508 N N . ARG E 5 18 ? 9.889 -94.782 -42.063 1.00 65.62 ? 18 ARG E N 1 +ATOM 16509 C CA . ARG E 5 18 ? 8.450 -94.551 -42.169 1.00 67.65 ? 18 ARG E CA 1 +ATOM 16510 C C . ARG E 5 18 ? 8.147 -93.098 -42.532 1.00 86.69 ? 18 ARG E C 1 +ATOM 16511 O O . ARG E 5 18 ? 7.209 -92.825 -43.292 1.00 73.33 ? 18 ARG E O 1 +ATOM 16512 C CB . ARG E 5 18 ? 7.740 -94.930 -40.868 1.00 59.83 ? 18 ARG E CB 1 +ATOM 16513 C CG . ARG E 5 18 ? 6.223 -94.884 -40.997 1.00 63.25 ? 18 ARG E CG 1 +ATOM 16514 C CD . ARG E 5 18 ? 5.545 -95.167 -39.671 1.00 74.13 ? 18 ARG E CD 1 +ATOM 16515 N NE . ARG E 5 18 ? 5.834 -94.153 -38.663 1.00 81.48 ? 18 ARG E NE 1 +ATOM 16516 C CZ . ARG E 5 18 ? 5.478 -94.243 -37.385 1.00 104.50 ? 18 ARG E CZ 1 +ATOM 16517 N NH1 . ARG E 5 18 ? 4.874 -95.320 -36.912 1.00 96.56 ? 18 ARG E NH1 1 +ATOM 16518 N NH2 . ARG E 5 18 ? 5.733 -93.226 -36.562 1.00 72.77 ? 18 ARG E NH2 1 +ATOM 16519 N N . TYR E 5 19 ? 8.921 -92.149 -41.993 1.00 64.13 ? 19 TYR E N 1 +ATOM 16520 C CA . TYR E 5 19 ? 8.723 -90.758 -42.382 1.00 71.62 ? 19 TYR E CA 1 +ATOM 16521 C C . TYR E 5 19 ? 8.893 -90.608 -43.886 1.00 77.88 ? 19 TYR E C 1 +ATOM 16522 O O . TYR E 5 19 ? 8.034 -90.034 -44.573 1.00 72.16 ? 19 TYR E O 1 +ATOM 16523 C CB . TYR E 5 19 ? 9.692 -89.834 -41.628 1.00 64.47 ? 19 TYR E CB 1 +ATOM 16524 C CG . TYR E 5 19 ? 9.648 -88.407 -42.128 1.00 77.24 ? 19 TYR E CG 1 +ATOM 16525 C CD1 . TYR E 5 19 ? 8.702 -87.507 -41.646 1.00 70.49 ? 19 TYR E CD1 1 +ATOM 16526 C CD2 . TYR E 5 19 ? 10.532 -87.969 -43.108 1.00 70.94 ? 19 TYR E CD2 1 +ATOM 16527 C CE1 . TYR E 5 19 ? 8.654 -86.209 -42.113 1.00 70.62 ? 19 TYR E CE1 1 +ATOM 16528 C CE2 . TYR E 5 19 ? 10.480 -86.686 -43.597 1.00 74.36 ? 19 TYR E CE2 1 +ATOM 16529 C CZ . TYR E 5 19 ? 9.542 -85.808 -43.097 1.00 83.78 ? 19 TYR E CZ 1 +ATOM 16530 O OH . TYR E 5 19 ? 9.505 -84.525 -43.585 1.00 67.15 ? 19 TYR E OH 1 +ATOM 16531 N N . TRP E 5 20 ? 9.975 -91.179 -44.424 1.00 68.74 ? 20 TRP E N 1 +ATOM 16532 C CA . TRP E 5 20 ? 10.280 -91.019 -45.839 1.00 79.51 ? 20 TRP E CA 1 +ATOM 16533 C C . TRP E 5 20 ? 9.379 -91.857 -46.736 1.00 88.33 ? 20 TRP E C 1 +ATOM 16534 O O . TRP E 5 20 ? 9.165 -91.478 -47.895 1.00 75.27 ? 20 TRP E O 1 +ATOM 16535 C CB . TRP E 5 20 ? 11.755 -91.332 -46.095 1.00 69.19 ? 20 TRP E CB 1 +ATOM 16536 C CG . TRP E 5 20 ? 12.607 -90.208 -45.631 1.00 85.31 ? 20 TRP E CG 1 +ATOM 16537 C CD1 . TRP E 5 20 ? 13.511 -90.222 -44.614 1.00 75.25 ? 20 TRP E CD1 1 +ATOM 16538 C CD2 . TRP E 5 20 ? 12.592 -88.870 -46.140 1.00 85.08 ? 20 TRP E CD2 1 +ATOM 16539 N NE1 . TRP E 5 20 ? 14.081 -88.981 -44.469 1.00 86.30 ? 20 TRP E NE1 1 +ATOM 16540 C CE2 . TRP E 5 20 ? 13.534 -88.131 -45.395 1.00 97.97 ? 20 TRP E CE2 1 +ATOM 16541 C CE3 . TRP E 5 20 ? 11.880 -88.228 -47.161 1.00 83.37 ? 20 TRP E CE3 1 +ATOM 16542 C CZ2 . TRP E 5 20 ? 13.780 -86.781 -45.633 1.00 80.35 ? 20 TRP E CZ2 1 +ATOM 16543 C CZ3 . TRP E 5 20 ? 12.127 -86.893 -47.403 1.00 90.72 ? 20 TRP E CZ3 1 +ATOM 16544 C CH2 . TRP E 5 20 ? 13.070 -86.181 -46.642 1.00 107.39 ? 20 TRP E CH2 1 +ATOM 16545 N N . VAL E 5 21 ? 8.836 -92.975 -46.241 1.00 69.54 ? 21 VAL E N 1 +ATOM 16546 C CA . VAL E 5 21 ? 7.836 -93.689 -47.030 1.00 80.22 ? 21 VAL E CA 1 +ATOM 16547 C C . VAL E 5 21 ? 6.632 -92.787 -47.266 1.00 69.70 ? 21 VAL E C 1 +ATOM 16548 O O . VAL E 5 21 ? 6.134 -92.657 -48.393 1.00 71.83 ? 21 VAL E O 1 +ATOM 16549 C CB . VAL E 5 21 ? 7.427 -95.012 -46.352 1.00 84.70 ? 21 VAL E CB 1 +ATOM 16550 C CG1 . VAL E 5 21 ? 6.172 -95.574 -47.015 1.00 73.31 ? 21 VAL E CG1 1 +ATOM 16551 C CG2 . VAL E 5 21 ? 8.559 -96.028 -46.426 1.00 65.98 ? 21 VAL E CG2 1 +ATOM 16552 N N . ILE E 5 22 ? 6.170 -92.126 -46.207 1.00 73.87 ? 22 ILE E N 1 +ATOM 16553 C CA . ILE E 5 22 ? 5.006 -91.250 -46.315 1.00 80.19 ? 22 ILE E CA 1 +ATOM 16554 C C . ILE E 5 22 ? 5.321 -90.019 -47.165 1.00 71.49 ? 22 ILE E C 1 +ATOM 16555 O O . ILE E 5 22 ? 4.563 -89.669 -48.081 1.00 67.22 ? 22 ILE E O 1 +ATOM 16556 C CB . ILE E 5 22 ? 4.516 -90.857 -44.910 1.00 92.53 ? 22 ILE E CB 1 +ATOM 16557 C CG1 . ILE E 5 22 ? 4.061 -92.113 -44.154 1.00 72.24 ? 22 ILE E CG1 1 +ATOM 16558 C CG2 . ILE E 5 22 ? 3.422 -89.781 -45.003 1.00 75.00 ? 22 ILE E CG2 1 +ATOM 16559 C CD1 . ILE E 5 22 ? 3.673 -91.880 -42.729 1.00 77.76 ? 22 ILE E CD1 1 +ATOM 16560 N N . HIS E 5 23 ? 6.443 -89.349 -46.888 1.00 68.40 ? 23 HIS E N 1 +ATOM 16561 C CA . HIS E 5 23 ? 6.675 -88.027 -47.473 1.00 84.26 ? 23 HIS E CA 1 +ATOM 16562 C C . HIS E 5 23 ? 7.358 -88.063 -48.833 1.00 77.13 ? 23 HIS E C 1 +ATOM 16563 O O . HIS E 5 23 ? 7.420 -87.025 -49.501 1.00 76.84 ? 23 HIS E O 1 +ATOM 16564 C CB . HIS E 5 23 ? 7.478 -87.148 -46.505 1.00 66.81 ? 23 HIS E CB 1 +ATOM 16565 C CG . HIS E 5 23 ? 6.698 -86.774 -45.290 1.00 64.73 ? 23 HIS E CG 1 +ATOM 16566 N ND1 . HIS E 5 23 ? 6.635 -87.572 -44.167 1.00 63.09 ? 23 HIS E ND1 1 +ATOM 16567 C CD2 . HIS E 5 23 ? 5.879 -85.724 -45.053 1.00 74.16 ? 23 HIS E CD2 1 +ATOM 16568 C CE1 . HIS E 5 23 ? 5.836 -87.010 -43.276 1.00 75.96 ? 23 HIS E CE1 1 +ATOM 16569 N NE2 . HIS E 5 23 ? 5.373 -85.881 -43.788 1.00 65.17 ? 23 HIS E NE2 1 +ATOM 16570 N N . SER E 5 24 ? 7.860 -89.223 -49.270 1.00 78.54 ? 24 SER E N 1 +ATOM 16571 C CA . SER E 5 24 ? 8.264 -89.363 -50.664 1.00 66.89 ? 24 SER E CA 1 +ATOM 16572 C C . SER E 5 24 ? 7.069 -89.303 -51.602 1.00 59.10 ? 24 SER E C 1 +ATOM 16573 O O . SER E 5 24 ? 7.261 -89.144 -52.809 1.00 68.45 ? 24 SER E O 1 +ATOM 16574 C CB . SER E 5 24 ? 8.997 -90.680 -50.878 1.00 73.67 ? 24 SER E CB 1 +ATOM 16575 O OG . SER E 5 24 ? 8.087 -91.751 -50.673 1.00 88.23 ? 24 SER E OG 1 +ATOM 16576 N N . ILE E 5 25 ? 5.856 -89.436 -51.072 1.00 76.64 ? 25 ILE E N 1 +ATOM 16577 C CA . ILE E 5 25 ? 4.625 -89.287 -51.842 1.00 73.47 ? 25 ILE E CA 1 +ATOM 16578 C C . ILE E 5 25 ? 3.959 -87.932 -51.596 1.00 81.35 ? 25 ILE E C 1 +ATOM 16579 O O . ILE E 5 25 ? 3.568 -87.245 -52.542 1.00 70.30 ? 25 ILE E O 1 +ATOM 16580 C CB . ILE E 5 25 ? 3.658 -90.447 -51.512 1.00 81.20 ? 25 ILE E CB 1 +ATOM 16581 C CG1 . ILE E 5 25 ? 4.310 -91.795 -51.853 1.00 95.54 ? 25 ILE E CG1 1 +ATOM 16582 C CG2 . ILE E 5 25 ? 2.319 -90.254 -52.223 1.00 76.32 ? 25 ILE E CG2 1 +ATOM 16583 C CD1 . ILE E 5 25 ? 4.806 -91.905 -53.284 1.00 80.64 ? 25 ILE E CD1 1 +ATOM 16584 N N . THR E 5 26 ? 3.799 -87.536 -50.323 1.00 62.91 ? 26 THR E N 1 +ATOM 16585 C CA . THR E 5 26 ? 2.980 -86.364 -50.015 1.00 77.09 ? 26 THR E CA 1 +ATOM 16586 C C . THR E 5 26 ? 3.634 -85.080 -50.499 1.00 71.93 ? 26 THR E C 1 +ATOM 16587 O O . THR E 5 26 ? 2.933 -84.152 -50.917 1.00 67.47 ? 26 THR E O 1 +ATOM 16588 C CB . THR E 5 26 ? 2.697 -86.251 -48.513 1.00 73.03 ? 26 THR E CB 1 +ATOM 16589 O OG1 . THR E 5 26 ? 3.931 -86.224 -47.786 1.00 68.02 ? 26 THR E OG1 1 +ATOM 16590 C CG2 . THR E 5 26 ? 1.835 -87.400 -48.038 1.00 69.15 ? 26 THR E CG2 1 +ATOM 16591 N N . ILE E 5 27 ? 4.960 -85.012 -50.468 1.00 61.47 ? 27 ILE E N 1 +ATOM 16592 C CA . ILE E 5 27 ? 5.673 -83.821 -50.913 1.00 68.44 ? 27 ILE E CA 1 +ATOM 16593 C C . ILE E 5 27 ? 5.557 -83.675 -52.430 1.00 65.05 ? 27 ILE E C 1 +ATOM 16594 O O . ILE E 5 27 ? 5.066 -82.634 -52.889 1.00 72.60 ? 27 ILE E O 1 +ATOM 16595 C CB . ILE E 5 27 ? 7.130 -83.847 -50.429 1.00 67.24 ? 27 ILE E CB 1 +ATOM 16596 C CG1 . ILE E 5 27 ? 7.164 -83.687 -48.904 1.00 71.71 ? 27 ILE E CG1 1 +ATOM 16597 C CG2 . ILE E 5 27 ? 7.930 -82.779 -51.128 1.00 64.24 ? 27 ILE E CG2 1 +ATOM 16598 C CD1 . ILE E 5 27 ? 8.525 -83.922 -48.289 1.00 66.14 ? 27 ILE E CD1 1 +ATOM 16599 N N . PRO E 5 28 ? 5.946 -84.664 -53.256 1.00 70.93 ? 28 PRO E N 1 +ATOM 16600 C CA . PRO E 5 28 ? 5.733 -84.491 -54.705 1.00 64.54 ? 28 PRO E CA 1 +ATOM 16601 C C . PRO E 5 28 ? 4.276 -84.287 -55.072 1.00 67.20 ? 28 PRO E C 1 +ATOM 16602 O O . PRO E 5 28 ? 3.980 -83.513 -55.990 1.00 72.97 ? 28 PRO E O 1 +ATOM 16603 C CB . PRO E 5 28 ? 6.289 -85.793 -55.307 1.00 72.92 ? 28 PRO E CB 1 +ATOM 16604 C CG . PRO E 5 28 ? 7.178 -86.357 -54.257 1.00 71.50 ? 28 PRO E CG 1 +ATOM 16605 C CD . PRO E 5 28 ? 6.577 -85.966 -52.958 1.00 68.55 ? 28 PRO E CD 1 +ATOM 16606 N N . ALA E 5 29 ? 3.352 -84.967 -54.392 1.00 61.28 ? 29 ALA E N 1 +ATOM 16607 C CA . ALA E 5 29 ? 1.939 -84.789 -54.711 1.00 72.30 ? 29 ALA E CA 1 +ATOM 16608 C C . ALA E 5 29 ? 1.501 -83.332 -54.534 1.00 73.84 ? 29 ALA E C 1 +ATOM 16609 O O . ALA E 5 29 ? 0.742 -82.801 -55.354 1.00 70.08 ? 29 ALA E O 1 +ATOM 16610 C CB . ALA E 5 29 ? 1.091 -85.724 -53.844 1.00 68.57 ? 29 ALA E CB 1 +ATOM 16611 N N . LEU E 5 30 ? 1.961 -82.668 -53.464 1.00 66.94 ? 30 LEU E N 1 +ATOM 16612 C CA . LEU E 5 30 ? 1.598 -81.269 -53.253 1.00 62.58 ? 30 LEU E CA 1 +ATOM 16613 C C . LEU E 5 30 ? 2.252 -80.369 -54.295 1.00 68.00 ? 30 LEU E C 1 +ATOM 16614 O O . LEU E 5 30 ? 1.605 -79.462 -54.830 1.00 60.19 ? 30 LEU E O 1 +ATOM 16615 C CB . LEU E 5 30 ? 1.984 -80.827 -51.839 1.00 64.99 ? 30 LEU E CB 1 +ATOM 16616 C CG . LEU E 5 30 ? 1.045 -81.256 -50.706 1.00 66.13 ? 30 LEU E CG 1 +ATOM 16617 C CD1 . LEU E 5 30 ? 1.701 -81.060 -49.343 1.00 65.34 ? 30 LEU E CD1 1 +ATOM 16618 C CD2 . LEU E 5 30 ? -0.294 -80.513 -50.777 1.00 65.47 ? 30 LEU E CD2 1 +ATOM 16619 N N . PHE E 5 31 ? 3.529 -80.625 -54.610 1.00 54.13 ? 31 PHE E N 1 +ATOM 16620 C CA . PHE E 5 31 ? 4.228 -79.858 -55.638 1.00 53.49 ? 31 PHE E CA 1 +ATOM 16621 C C . PHE E 5 31 ? 3.485 -79.911 -56.962 1.00 59.58 ? 31 PHE E C 1 +ATOM 16622 O O . PHE E 5 31 ? 3.250 -78.882 -57.603 1.00 67.26 ? 31 PHE E O 1 +ATOM 16623 C CB . PHE E 5 31 ? 5.640 -80.413 -55.793 1.00 60.40 ? 31 PHE E CB 1 +ATOM 16624 C CG . PHE E 5 31 ? 6.557 -79.579 -56.645 1.00 60.97 ? 31 PHE E CG 1 +ATOM 16625 C CD1 . PHE E 5 31 ? 7.341 -78.583 -56.073 1.00 55.56 ? 31 PHE E CD1 1 +ATOM 16626 C CD2 . PHE E 5 31 ? 6.688 -79.828 -57.995 1.00 56.68 ? 31 PHE E CD2 1 +ATOM 16627 C CE1 . PHE E 5 31 ? 8.224 -77.836 -56.838 1.00 63.18 ? 31 PHE E CE1 1 +ATOM 16628 C CE2 . PHE E 5 31 ? 7.572 -79.079 -58.776 1.00 64.38 ? 31 PHE E CE2 1 +ATOM 16629 C CZ . PHE E 5 31 ? 8.337 -78.078 -58.191 1.00 61.81 ? 31 PHE E CZ 1 +ATOM 16630 N N . ILE E 5 32 ? 3.109 -81.115 -57.388 1.00 64.90 ? 32 ILE E N 1 +ATOM 16631 C CA . ILE E 5 32 ? 2.414 -81.293 -58.658 1.00 57.65 ? 32 ILE E CA 1 +ATOM 16632 C C . ILE E 5 32 ? 1.050 -80.615 -58.624 1.00 56.71 ? 32 ILE E C 1 +ATOM 16633 O O . ILE E 5 32 ? 0.588 -80.070 -59.631 1.00 57.92 ? 32 ILE E O 1 +ATOM 16634 C CB . ILE E 5 32 ? 2.304 -82.802 -58.965 1.00 74.97 ? 32 ILE E CB 1 +ATOM 16635 C CG1 . ILE E 5 32 ? 3.684 -83.356 -59.344 1.00 71.17 ? 32 ILE E CG1 1 +ATOM 16636 C CG2 . ILE E 5 32 ? 1.253 -83.067 -60.049 1.00 71.05 ? 32 ILE E CG2 1 +ATOM 16637 C CD1 . ILE E 5 32 ? 3.843 -84.837 -59.102 1.00 80.29 ? 32 ILE E CD1 1 +ATOM 16638 N N . ALA E 5 33 ? 0.373 -80.659 -57.475 1.00 52.19 ? 33 ALA E N 1 +ATOM 16639 C CA . ALA E 5 33 ? -0.896 -79.955 -57.340 1.00 61.92 ? 33 ALA E CA 1 +ATOM 16640 C C . ALA E 5 33 ? -0.702 -78.452 -57.512 1.00 72.08 ? 33 ALA E C 1 +ATOM 16641 O O . ALA E 5 33 ? -1.542 -77.770 -58.118 1.00 64.24 ? 33 ALA E O 1 +ATOM 16642 C CB . ALA E 5 33 ? -1.522 -80.267 -55.978 1.00 55.19 ? 33 ALA E CB 1 +ATOM 16643 N N . GLY E 5 34 ? 0.406 -77.917 -56.987 1.00 59.36 ? 34 GLY E N 1 +ATOM 16644 C CA . GLY E 5 34 ? 0.691 -76.503 -57.172 1.00 56.33 ? 34 GLY E CA 1 +ATOM 16645 C C . GLY E 5 34 ? 1.012 -76.175 -58.613 1.00 55.89 ? 34 GLY E C 1 +ATOM 16646 O O . GLY E 5 34 ? 0.506 -75.192 -59.163 1.00 55.65 ? 34 GLY E O 1 +ATOM 16647 N N . TRP E 5 35 ? 1.830 -77.016 -59.255 1.00 57.55 ? 35 TRP E N 1 +ATOM 16648 C CA . TRP E 5 35 ? 2.127 -76.841 -60.673 1.00 59.08 ? 35 TRP E CA 1 +ATOM 16649 C C . TRP E 5 35 ? 0.846 -76.779 -61.512 1.00 62.75 ? 35 TRP E C 1 +ATOM 16650 O O . TRP E 5 35 ? 0.644 -75.830 -62.281 1.00 63.59 ? 35 TRP E O 1 +ATOM 16651 C CB . TRP E 5 35 ? 3.049 -77.968 -61.134 1.00 59.72 ? 35 TRP E CB 1 +ATOM 16652 C CG . TRP E 5 35 ? 3.611 -77.790 -62.510 1.00 55.75 ? 35 TRP E CG 1 +ATOM 16653 C CD1 . TRP E 5 35 ? 2.929 -77.854 -63.683 1.00 58.95 ? 35 TRP E CD1 1 +ATOM 16654 C CD2 . TRP E 5 35 ? 4.986 -77.555 -62.853 1.00 60.60 ? 35 TRP E CD2 1 +ATOM 16655 N NE1 . TRP E 5 35 ? 3.785 -77.639 -64.742 1.00 64.86 ? 35 TRP E NE1 1 +ATOM 16656 C CE2 . TRP E 5 35 ? 5.056 -77.469 -64.260 1.00 61.46 ? 35 TRP E CE2 1 +ATOM 16657 C CE3 . TRP E 5 35 ? 6.162 -77.406 -62.106 1.00 52.20 ? 35 TRP E CE3 1 +ATOM 16658 C CZ2 . TRP E 5 35 ? 6.259 -77.240 -64.942 1.00 66.54 ? 35 TRP E CZ2 1 +ATOM 16659 C CZ3 . TRP E 5 35 ? 7.352 -77.168 -62.782 1.00 56.18 ? 35 TRP E CZ3 1 +ATOM 16660 C CH2 . TRP E 5 35 ? 7.394 -77.095 -64.185 1.00 58.74 ? 35 TRP E CH2 1 +ATOM 16661 N N . LEU E 5 36 ? -0.050 -77.763 -61.345 1.00 64.43 ? 36 LEU E N 1 +ATOM 16662 C CA . LEU E 5 36 ? -1.290 -77.828 -62.126 1.00 58.53 ? 36 LEU E CA 1 +ATOM 16663 C C . LEU E 5 36 ? -2.227 -76.652 -61.846 1.00 62.43 ? 36 LEU E C 1 +ATOM 16664 O O . LEU E 5 36 ? -2.961 -76.218 -62.746 1.00 59.07 ? 36 LEU E O 1 +ATOM 16665 C CB . LEU E 5 36 ? -2.014 -79.150 -61.847 1.00 73.60 ? 36 LEU E CB 1 +ATOM 16666 C CG . LEU E 5 36 ? -1.337 -80.457 -62.289 1.00 73.96 ? 36 LEU E CG 1 +ATOM 16667 C CD1 . LEU E 5 36 ? -2.002 -81.666 -61.634 1.00 84.07 ? 36 LEU E CD1 1 +ATOM 16668 C CD2 . LEU E 5 36 ? -1.349 -80.600 -63.812 1.00 64.27 ? 36 LEU E CD2 1 +ATOM 16669 N N . PHE E 5 37 ? -2.239 -76.138 -60.611 1.00 58.92 ? 37 PHE E N 1 +ATOM 16670 C CA . PHE E 5 37 ? -3.022 -74.935 -60.297 1.00 71.15 ? 37 PHE E CA 1 +ATOM 16671 C C . PHE E 5 37 ? -2.666 -73.770 -61.230 1.00 66.64 ? 37 PHE E C 1 +ATOM 16672 O O . PHE E 5 37 ? -3.539 -72.986 -61.639 1.00 54.84 ? 37 PHE E O 1 +ATOM 16673 C CB . PHE E 5 37 ? -2.798 -74.569 -58.823 1.00 61.79 ? 37 PHE E CB 1 +ATOM 16674 C CG . PHE E 5 37 ? -3.658 -73.435 -58.319 1.00 67.27 ? 37 PHE E CG 1 +ATOM 16675 C CD1 . PHE E 5 37 ? -5.043 -73.525 -58.345 1.00 61.52 ? 37 PHE E CD1 1 +ATOM 16676 C CD2 . PHE E 5 37 ? -3.076 -72.292 -57.778 1.00 65.31 ? 37 PHE E CD2 1 +ATOM 16677 C CE1 . PHE E 5 37 ? -5.836 -72.486 -57.870 1.00 61.74 ? 37 PHE E CE1 1 +ATOM 16678 C CE2 . PHE E 5 37 ? -3.862 -71.259 -57.304 1.00 57.04 ? 37 PHE E CE2 1 +ATOM 16679 C CZ . PHE E 5 37 ? -5.240 -71.355 -57.347 1.00 58.52 ? 37 PHE E CZ 1 +ATOM 16680 N N . VAL E 5 38 ? -1.397 -73.668 -61.601 1.00 57.47 ? 38 VAL E N 1 +ATOM 16681 C CA . VAL E 5 38 ? -0.954 -72.702 -62.593 1.00 55.85 ? 38 VAL E CA 1 +ATOM 16682 C C . VAL E 5 38 ? -1.143 -73.231 -64.011 1.00 64.94 ? 38 VAL E C 1 +ATOM 16683 O O . VAL E 5 38 ? -1.725 -72.547 -64.859 1.00 65.95 ? 38 VAL E O 1 +ATOM 16684 C CB . VAL E 5 38 ? 0.520 -72.298 -62.315 1.00 58.22 ? 38 VAL E CB 1 +ATOM 16685 C CG1 . VAL E 5 38 ? 1.116 -71.505 -63.488 1.00 58.42 ? 38 VAL E CG1 1 +ATOM 16686 C CG2 . VAL E 5 38 ? 0.617 -71.495 -61.032 1.00 56.62 ? 38 VAL E CG2 1 +ATOM 16687 N N . SER E 5 39 ? -0.687 -74.456 -64.309 1.00 65.18 ? 39 SER E N 1 +ATOM 16688 C CA . SER E 5 39 ? -0.670 -74.897 -65.712 1.00 73.69 ? 39 SER E CA 1 +ATOM 16689 C C . SER E 5 39 ? -2.075 -75.058 -66.294 1.00 59.65 ? 39 SER E C 1 +ATOM 16690 O O . SER E 5 39 ? -2.267 -74.854 -67.493 1.00 59.17 ? 39 SER E O 1 +ATOM 16691 C CB . SER E 5 39 ? 0.115 -76.203 -65.872 1.00 54.05 ? 39 SER E CB 1 +ATOM 16692 O OG . SER E 5 39 ? -0.414 -77.223 -65.039 1.00 76.95 ? 39 SER E OG 1 +ATOM 16693 N N . THR E 5 40 ? -3.067 -75.390 -65.479 1.00 61.91 ? 40 THR E N 1 +ATOM 16694 C CA . THR E 5 40 ? -4.428 -75.400 -66.002 1.00 56.03 ? 40 THR E CA 1 +ATOM 16695 C C . THR E 5 40 ? -5.012 -74.012 -66.178 1.00 76.01 ? 40 THR E C 1 +ATOM 16696 O O . THR E 5 40 ? -6.152 -73.911 -66.644 1.00 66.06 ? 40 THR E O 1 +ATOM 16697 C CB . THR E 5 40 ? -5.346 -76.186 -65.074 1.00 80.07 ? 40 THR E CB 1 +ATOM 16698 O OG1 . THR E 5 40 ? -5.415 -75.523 -63.795 1.00 66.94 ? 40 THR E OG1 1 +ATOM 16699 C CG2 . THR E 5 40 ? -4.831 -77.626 -64.901 1.00 67.15 ? 40 THR E CG2 1 +ATOM 16700 N N . GLY E 5 41 ? -4.295 -72.954 -65.789 1.00 66.77 ? 41 GLY E N 1 +ATOM 16701 C CA . GLY E 5 41 ? -4.850 -71.618 -65.804 1.00 55.25 ? 41 GLY E CA 1 +ATOM 16702 C C . GLY E 5 41 ? -5.841 -71.324 -64.699 1.00 57.38 ? 41 GLY E C 1 +ATOM 16703 O O . GLY E 5 41 ? -6.462 -70.255 -64.709 1.00 59.68 ? 41 GLY E O 1 +ATOM 16704 N N . LEU E 5 42 ? -6.001 -72.223 -63.730 1.00 67.81 ? 42 LEU E N 1 +ATOM 16705 C CA . LEU E 5 42 ? -6.995 -71.997 -62.686 1.00 67.48 ? 42 LEU E CA 1 +ATOM 16706 C C . LEU E 5 42 ? -6.629 -70.810 -61.791 1.00 67.18 ? 42 LEU E C 1 +ATOM 16707 O O . LEU E 5 42 ? -7.521 -70.126 -61.272 1.00 59.94 ? 42 LEU E O 1 +ATOM 16708 C CB . LEU E 5 42 ? -7.158 -73.271 -61.862 1.00 64.34 ? 42 LEU E CB 1 +ATOM 16709 C CG . LEU E 5 42 ? -8.229 -73.294 -60.768 1.00 82.55 ? 42 LEU E CG 1 +ATOM 16710 C CD1 . LEU E 5 42 ? -9.597 -72.906 -61.337 1.00 61.81 ? 42 LEU E CD1 1 +ATOM 16711 C CD2 . LEU E 5 42 ? -8.270 -74.675 -60.096 1.00 64.49 ? 42 LEU E CD2 1 +ATOM 16712 N N . ALA E 5 43 ? -5.333 -70.558 -61.584 1.00 59.70 ? 43 ALA E N 1 +ATOM 16713 C CA . ALA E 5 43 ? -4.921 -69.484 -60.681 1.00 59.84 ? 43 ALA E CA 1 +ATOM 16714 C C . ALA E 5 43 ? -5.395 -68.122 -61.183 1.00 54.09 ? 43 ALA E C 1 +ATOM 16715 O O . ALA E 5 43 ? -5.861 -67.294 -60.398 1.00 62.30 ? 43 ALA E O 1 +ATOM 16716 C CB . ALA E 5 43 ? -3.404 -69.497 -60.510 1.00 55.43 ? 43 ALA E CB 1 +ATOM 16717 N N . TYR E 5 44 ? -5.277 -67.878 -62.490 1.00 55.88 ? 44 TYR E N 1 +ATOM 16718 C CA . TYR E 5 44 ? -5.806 -66.666 -63.098 1.00 50.89 ? 44 TYR E CA 1 +ATOM 16719 C C . TYR E 5 44 ? -7.252 -66.426 -62.703 1.00 65.33 ? 44 TYR E C 1 +ATOM 16720 O O . TYR E 5 44 ? -7.633 -65.306 -62.344 1.00 61.52 ? 44 TYR E O 1 +ATOM 16721 C CB . TYR E 5 44 ? -5.709 -66.754 -64.618 1.00 51.07 ? 44 TYR E CB 1 +ATOM 16722 C CG . TYR E 5 44 ? -4.304 -66.752 -65.155 1.00 57.79 ? 44 TYR E CG 1 +ATOM 16723 C CD1 . TYR E 5 44 ? -3.529 -65.603 -65.109 1.00 55.23 ? 44 TYR E CD1 1 +ATOM 16724 C CD2 . TYR E 5 44 ? -3.753 -67.893 -65.733 1.00 59.61 ? 44 TYR E CD2 1 +ATOM 16725 C CE1 . TYR E 5 44 ? -2.248 -65.593 -65.606 1.00 50.79 ? 44 TYR E CE1 1 +ATOM 16726 C CE2 . TYR E 5 44 ? -2.465 -67.884 -66.235 1.00 58.37 ? 44 TYR E CE2 1 +ATOM 16727 C CZ . TYR E 5 44 ? -1.725 -66.728 -66.171 1.00 52.11 ? 44 TYR E CZ 1 +ATOM 16728 O OH . TYR E 5 44 ? -0.449 -66.716 -66.664 1.00 56.78 ? 44 TYR E OH 1 +ATOM 16729 N N . ASP E 5 45 ? -8.083 -67.464 -62.784 1.00 58.97 ? 45 ASP E N 1 +ATOM 16730 C CA . ASP E 5 45 ? -9.513 -67.242 -62.634 1.00 54.21 ? 45 ASP E CA 1 +ATOM 16731 C C . ASP E 5 45 ? -9.929 -67.153 -61.176 1.00 55.88 ? 45 ASP E C 1 +ATOM 16732 O O . ASP E 5 45 ? -10.868 -66.417 -60.855 1.00 59.45 ? 45 ASP E O 1 +ATOM 16733 C CB . ASP E 5 45 ? -10.284 -68.336 -63.367 1.00 63.57 ? 45 ASP E CB 1 +ATOM 16734 C CG . ASP E 5 45 ? -9.967 -68.358 -64.861 1.00 71.91 ? 45 ASP E CG 1 +ATOM 16735 O OD1 . ASP E 5 45 ? -9.894 -67.271 -65.498 1.00 73.87 ? 45 ASP E OD1 1 +ATOM 16736 O OD2 . ASP E 5 45 ? -9.756 -69.461 -65.392 1.00 72.57 ? 45 ASP E OD2 1 +ATOM 16737 N N . VAL E 5 46 ? -9.249 -67.880 -60.285 1.00 60.34 ? 46 VAL E N 1 +ATOM 16738 C CA . VAL E 5 46 ? -9.541 -67.759 -58.861 1.00 58.83 ? 46 VAL E CA 1 +ATOM 16739 C C . VAL E 5 46 ? -9.284 -66.328 -58.394 1.00 66.64 ? 46 VAL E C 1 +ATOM 16740 O O . VAL E 5 46 ? -10.124 -65.705 -57.725 1.00 57.33 ? 46 VAL E O 1 +ATOM 16741 C CB . VAL E 5 46 ? -8.717 -68.781 -58.051 1.00 73.42 ? 46 VAL E CB 1 +ATOM 16742 C CG1 . VAL E 5 46 ? -8.825 -68.510 -56.543 1.00 66.68 ? 46 VAL E CG1 1 +ATOM 16743 C CG2 . VAL E 5 46 ? -9.167 -70.203 -58.351 1.00 70.23 ? 46 VAL E CG2 1 +ATOM 16744 N N . PHE E 5 47 ? -8.135 -65.772 -58.765 1.00 52.46 ? 47 PHE E N 1 +ATOM 16745 C CA . PHE E 5 47 ? -7.716 -64.511 -58.173 1.00 64.51 ? 47 PHE E CA 1 +ATOM 16746 C C . PHE E 5 47 ? -8.022 -63.296 -59.040 1.00 62.42 ? 47 PHE E C 1 +ATOM 16747 O O . PHE E 5 47 ? -7.956 -62.164 -58.538 1.00 59.10 ? 47 PHE E O 1 +ATOM 16748 C CB . PHE E 5 47 ? -6.224 -64.571 -57.840 1.00 52.83 ? 47 PHE E CB 1 +ATOM 16749 C CG . PHE E 5 47 ? -5.901 -65.557 -56.764 1.00 56.96 ? 47 PHE E CG 1 +ATOM 16750 C CD1 . PHE E 5 47 ? -6.217 -65.282 -55.440 1.00 50.98 ? 47 PHE E CD1 1 +ATOM 16751 C CD2 . PHE E 5 47 ? -5.293 -66.776 -57.073 1.00 57.30 ? 47 PHE E CD2 1 +ATOM 16752 C CE1 . PHE E 5 47 ? -5.931 -66.205 -54.458 1.00 54.29 ? 47 PHE E CE1 1 +ATOM 16753 C CE2 . PHE E 5 47 ? -4.997 -67.699 -56.097 1.00 47.18 ? 47 PHE E CE2 1 +ATOM 16754 C CZ . PHE E 5 47 ? -5.306 -67.423 -54.792 1.00 49.50 ? 47 PHE E CZ 1 +ATOM 16755 N N . GLY E 5 48 ? -8.385 -63.492 -60.301 1.00 54.42 ? 48 GLY E N 1 +ATOM 16756 C CA . GLY E 5 48 ? -8.745 -62.382 -61.156 1.00 50.96 ? 48 GLY E CA 1 +ATOM 16757 C C . GLY E 5 48 ? -7.565 -61.690 -61.796 1.00 65.71 ? 48 GLY E C 1 +ATOM 16758 O O . GLY E 5 48 ? -7.657 -60.507 -62.146 1.00 50.36 ? 48 GLY E O 1 +ATOM 16759 N N . THR E 5 49 ? -6.476 -62.394 -61.977 1.00 52.80 ? 49 THR E N 1 +ATOM 16760 C CA . THR E 5 49 ? -5.233 -61.831 -62.470 1.00 53.92 ? 49 THR E CA 1 +ATOM 16761 C C . THR E 5 49 ? -5.190 -61.880 -63.993 1.00 59.78 ? 49 THR E C 1 +ATOM 16762 O O . THR E 5 49 ? -5.504 -62.921 -64.582 1.00 65.32 ? 49 THR E O 1 +ATOM 16763 C CB . THR E 5 49 ? -4.058 -62.591 -61.879 1.00 52.60 ? 49 THR E CB 1 +ATOM 16764 O OG1 . THR E 5 49 ? -4.029 -62.349 -60.462 1.00 60.45 ? 49 THR E OG1 1 +ATOM 16765 C CG2 . THR E 5 49 ? -2.750 -62.139 -62.508 1.00 46.47 ? 49 THR E CG2 1 +ATOM 16766 N N . PRO E 5 50 ? -4.803 -60.789 -64.654 1.00 63.57 ? 50 PRO E N 1 +ATOM 16767 C CA . PRO E 5 50 ? -4.713 -60.804 -66.123 1.00 55.56 ? 50 PRO E CA 1 +ATOM 16768 C C . PRO E 5 50 ? -3.695 -61.822 -66.629 1.00 61.47 ? 50 PRO E C 1 +ATOM 16769 O O . PRO E 5 50 ? -2.625 -62.006 -66.044 1.00 55.05 ? 50 PRO E O 1 +ATOM 16770 C CB . PRO E 5 50 ? -4.279 -59.370 -66.474 1.00 49.50 ? 50 PRO E CB 1 +ATOM 16771 C CG . PRO E 5 50 ? -4.598 -58.540 -65.223 1.00 45.69 ? 50 PRO E CG 1 +ATOM 16772 C CD . PRO E 5 50 ? -4.501 -59.461 -64.065 1.00 53.19 ? 50 PRO E CD 1 +ATOM 16773 N N . ARG E 5 51 ? -4.049 -62.488 -67.730 1.00 58.30 ? 51 ARG E N 1 +ATOM 16774 C CA . ARG E 5 51 ? -3.082 -63.206 -68.551 1.00 55.97 ? 51 ARG E CA 1 +ATOM 16775 C C . ARG E 5 51 ? -2.306 -62.198 -69.380 1.00 49.87 ? 51 ARG E C 1 +ATOM 16776 O O . ARG E 5 51 ? -2.749 -61.057 -69.544 1.00 57.92 ? 51 ARG E O 1 +ATOM 16777 C CB . ARG E 5 51 ? -3.785 -64.210 -69.469 1.00 49.77 ? 51 ARG E CB 1 +ATOM 16778 C CG . ARG E 5 51 ? -4.412 -65.358 -68.733 1.00 64.49 ? 51 ARG E CG 1 +ATOM 16779 C CD . ARG E 5 51 ? -5.412 -66.109 -69.590 1.00 73.83 ? 51 ARG E CD 1 +ATOM 16780 N NE . ARG E 5 51 ? -5.792 -67.372 -68.964 1.00 66.69 ? 51 ARG E NE 1 +ATOM 16781 C CZ . ARG E 5 51 ? -6.755 -67.501 -68.062 1.00 84.82 ? 51 ARG E CZ 1 +ATOM 16782 N NH1 . ARG E 5 51 ? -7.461 -66.455 -67.644 1.00 71.80 ? 51 ARG E NH1 1 +ATOM 16783 N NH2 . ARG E 5 51 ? -7.023 -68.707 -67.566 1.00 74.30 ? 51 ARG E NH2 1 +ATOM 16784 N N . PRO E 5 52 ? -1.143 -62.584 -69.917 1.00 52.01 ? 52 PRO E N 1 +ATOM 16785 C CA . PRO E 5 52 ? -0.362 -61.619 -70.718 1.00 46.91 ? 52 PRO E CA 1 +ATOM 16786 C C . PRO E 5 52 ? -1.158 -60.942 -71.815 1.00 58.73 ? 52 PRO E C 1 +ATOM 16787 O O . PRO E 5 52 ? -0.828 -59.806 -72.193 1.00 56.14 ? 52 PRO E O 1 +ATOM 16788 C CB . PRO E 5 52 ? 0.787 -62.476 -71.262 1.00 51.95 ? 52 PRO E CB 1 +ATOM 16789 C CG . PRO E 5 52 ? 1.019 -63.475 -70.146 1.00 51.56 ? 52 PRO E CG 1 +ATOM 16790 C CD . PRO E 5 52 ? -0.370 -63.814 -69.639 1.00 51.93 ? 52 PRO E CD 1 +ATOM 16791 N N . ASP E 5 53 ? -2.232 -61.559 -72.310 1.00 53.63 ? 53 ASP E N 1 +ATOM 16792 C CA . ASP E 5 53 ? -2.992 -60.959 -73.403 1.00 59.06 ? 53 ASP E CA 1 +ATOM 16793 C C . ASP E 5 53 ? -4.245 -60.246 -72.928 1.00 61.88 ? 53 ASP E C 1 +ATOM 16794 O O . ASP E 5 53 ? -5.063 -59.853 -73.761 1.00 58.42 ? 53 ASP E O 1 +ATOM 16795 C CB . ASP E 5 53 ? -3.362 -62.006 -74.455 1.00 59.63 ? 53 ASP E CB 1 +ATOM 16796 C CG . ASP E 5 53 ? -4.283 -63.106 -73.909 1.00 66.74 ? 53 ASP E CG 1 +ATOM 16797 O OD1 . ASP E 5 53 ? -4.739 -63.049 -72.739 1.00 71.01 ? 53 ASP E OD1 1 +ATOM 16798 O OD2 . ASP E 5 53 ? -4.543 -64.049 -74.675 1.00 92.44 ? 53 ASP E OD2 1 +ATOM 16799 N N . SER E 5 54 ? -4.423 -60.066 -71.615 1.00 52.99 ? 54 SER E N 1 +ATOM 16800 C CA . SER E 5 54 ? -5.646 -59.431 -71.142 1.00 56.76 ? 54 SER E CA 1 +ATOM 16801 C C . SER E 5 54 ? -5.394 -58.212 -70.255 1.00 58.93 ? 54 SER E C 1 +ATOM 16802 O O . SER E 5 54 ? -6.309 -57.779 -69.551 1.00 57.74 ? 54 SER E O 1 +ATOM 16803 C CB . SER E 5 54 ? -6.534 -60.439 -70.414 1.00 54.56 ? 54 SER E CB 1 +ATOM 16804 O OG . SER E 5 54 ? -5.755 -61.446 -69.798 1.00 82.39 ? 54 SER E OG 1 +ATOM 16805 N N . TYR E 5 55 ? -4.202 -57.615 -70.296 1.00 53.92 ? 55 TYR E N 1 +ATOM 16806 C CA . TYR E 5 55 ? -4.024 -56.337 -69.601 1.00 57.65 ? 55 TYR E CA 1 +ATOM 16807 C C . TYR E 5 55 ? -4.755 -55.206 -70.309 1.00 58.73 ? 55 TYR E C 1 +ATOM 16808 O O . TYR E 5 55 ? -5.335 -54.333 -69.656 1.00 54.78 ? 55 TYR E O 1 +ATOM 16809 C CB . TYR E 5 55 ? -2.546 -55.989 -69.479 1.00 49.53 ? 55 TYR E CB 1 +ATOM 16810 C CG . TYR E 5 55 ? -1.854 -56.740 -68.377 1.00 59.84 ? 55 TYR E CG 1 +ATOM 16811 C CD1 . TYR E 5 55 ? -1.882 -56.275 -67.066 1.00 52.78 ? 55 TYR E CD1 1 +ATOM 16812 C CD2 . TYR E 5 55 ? -1.175 -57.911 -68.644 1.00 50.77 ? 55 TYR E CD2 1 +ATOM 16813 C CE1 . TYR E 5 55 ? -1.248 -56.971 -66.056 1.00 53.27 ? 55 TYR E CE1 1 +ATOM 16814 C CE2 . TYR E 5 55 ? -0.545 -58.605 -67.652 1.00 60.90 ? 55 TYR E CE2 1 +ATOM 16815 C CZ . TYR E 5 55 ? -0.576 -58.135 -66.354 1.00 56.85 ? 55 TYR E CZ 1 +ATOM 16816 O OH . TYR E 5 55 ? 0.061 -58.845 -65.362 1.00 54.52 ? 55 TYR E OH 1 +ATOM 16817 N N . TYR E 5 56 ? -4.721 -55.196 -71.640 1.00 60.31 ? 56 TYR E N 1 +ATOM 16818 C CA . TYR E 5 56 ? -5.301 -54.130 -72.450 1.00 60.64 ? 56 TYR E CA 1 +ATOM 16819 C C . TYR E 5 56 ? -6.148 -54.713 -73.569 1.00 61.74 ? 56 TYR E C 1 +ATOM 16820 O O . TYR E 5 56 ? -5.929 -55.840 -74.021 1.00 62.31 ? 56 TYR E O 1 +ATOM 16821 C CB . TYR E 5 56 ? -4.248 -53.268 -73.132 1.00 49.19 ? 56 TYR E CB 1 +ATOM 16822 C CG . TYR E 5 56 ? -3.355 -52.434 -72.269 1.00 64.34 ? 56 TYR E CG 1 +ATOM 16823 C CD1 . TYR E 5 56 ? -3.786 -51.206 -71.769 1.00 56.51 ? 56 TYR E CD1 1 +ATOM 16824 C CD2 . TYR E 5 56 ? -2.048 -52.830 -72.020 1.00 55.89 ? 56 TYR E CD2 1 +ATOM 16825 C CE1 . TYR E 5 56 ? -2.952 -50.414 -71.028 1.00 55.38 ? 56 TYR E CE1 1 +ATOM 16826 C CE2 . TYR E 5 56 ? -1.212 -52.054 -71.275 1.00 53.52 ? 56 TYR E CE2 1 +ATOM 16827 C CZ . TYR E 5 56 ? -1.662 -50.839 -70.791 1.00 59.68 ? 56 TYR E CZ 1 +ATOM 16828 O OH . TYR E 5 56 ? -0.813 -50.068 -70.046 1.00 61.53 ? 56 TYR E OH 1 +ATOM 16829 N N . ALA E 5 57 ? -7.081 -53.900 -74.059 1.00 76.81 ? 57 ALA E N 1 +ATOM 16830 C CA . ALA E 5 57 ? -7.667 -54.178 -75.362 1.00 77.65 ? 57 ALA E CA 1 +ATOM 16831 C C . ALA E 5 57 ? -6.652 -53.843 -76.459 1.00 65.29 ? 57 ALA E C 1 +ATOM 16832 O O . ALA E 5 57 ? -5.654 -53.156 -76.223 1.00 67.65 ? 57 ALA E O 1 +ATOM 16833 C CB . ALA E 5 57 ? -8.970 -53.398 -75.541 1.00 70.87 ? 57 ALA E CB 1 +ATOM 16834 N N . GLN E 5 58 ? -6.916 -54.337 -77.673 1.00 71.75 ? 58 GLN E N 1 +ATOM 16835 C CA . GLN E 5 58 ? -5.871 -54.380 -78.700 1.00 79.77 ? 58 GLN E CA 1 +ATOM 16836 C C . GLN E 5 58 ? -5.282 -53.002 -78.996 1.00 72.14 ? 58 GLN E C 1 +ATOM 16837 O O . GLN E 5 58 ? -4.062 -52.871 -79.171 1.00 63.25 ? 58 GLN E O 1 +ATOM 16838 C CB . GLN E 5 58 ? -6.412 -55.014 -79.985 1.00 80.20 ? 58 GLN E CB 1 +ATOM 16839 C CG . GLN E 5 58 ? -5.358 -55.150 -81.087 1.00 59.60 ? 58 GLN E CG 1 +ATOM 16840 C CD . GLN E 5 58 ? -4.185 -56.043 -80.677 1.00 69.88 ? 58 GLN E CD 1 +ATOM 16841 O OE1 . GLN E 5 58 ? -4.313 -56.885 -79.786 1.00 67.83 ? 58 GLN E OE1 1 +ATOM 16842 N NE2 . GLN E 5 58 ? -3.035 -55.849 -81.317 1.00 67.16 ? 58 GLN E NE2 1 +ATOM 16843 N N . GLU E 5 59 ? -6.120 -51.961 -79.040 1.00 64.87 ? 59 GLU E N 1 +ATOM 16844 C CA . GLU E 5 59 ? -5.663 -50.623 -79.398 1.00 69.08 ? 59 GLU E CA 1 +ATOM 16845 C C . GLU E 5 59 ? -5.688 -49.616 -78.253 1.00 84.29 ? 59 GLU E C 1 +ATOM 16846 O O . GLU E 5 59 ? -5.222 -48.489 -78.445 1.00 92.55 ? 59 GLU E O 1 +ATOM 16847 C CB . GLU E 5 59 ? -6.506 -50.069 -80.555 1.00 76.62 ? 59 GLU E CB 1 +ATOM 16848 C CG . GLU E 5 59 ? -6.713 -51.054 -81.709 1.00 90.92 ? 59 GLU E CG 1 +ATOM 16849 C CD . GLU E 5 59 ? -5.448 -51.278 -82.524 1.00 112.97 ? 59 GLU E CD 1 +ATOM 16850 O OE1 . GLU E 5 59 ? -4.403 -50.667 -82.187 1.00 122.81 ? 59 GLU E OE1 1 +ATOM 16851 O OE2 . GLU E 5 59 ? -5.499 -52.057 -83.506 1.00 117.16 ? 59 GLU E OE2 1 +ATOM 16852 N N . GLN E 5 60 ? -6.206 -49.975 -77.082 1.00 85.64 ? 60 GLN E N 1 +ATOM 16853 C CA . GLN E 5 60 ? -6.240 -49.040 -75.966 1.00 93.21 ? 60 GLN E CA 1 +ATOM 16854 C C . GLN E 5 60 ? -4.915 -49.038 -75.206 1.00 73.66 ? 60 GLN E C 1 +ATOM 16855 O O . GLN E 5 60 ? -4.194 -50.038 -75.154 1.00 79.17 ? 60 GLN E O 1 +ATOM 16856 C CB . GLN E 5 60 ? -7.368 -49.393 -74.999 1.00 86.36 ? 60 GLN E CB 1 +ATOM 16857 C CG . GLN E 5 60 ? -7.060 -50.614 -74.150 1.00 108.88 ? 60 GLN E CG 1 +ATOM 16858 C CD . GLN E 5 60 ? -7.606 -50.507 -72.734 1.00 100.22 ? 60 GLN E CD 1 +ATOM 16859 O OE1 . GLN E 5 60 ? -8.065 -49.444 -72.314 1.00 123.71 ? 60 GLN E OE1 1 +ATOM 16860 N NE2 . GLN E 5 60 ? -7.562 -51.612 -71.993 1.00 88.26 ? 60 GLN E NE2 1 +ATOM 16861 N N . ARG E 5 61 ? -4.600 -47.896 -74.600 1.00 90.49 ? 61 ARG E N 1 +ATOM 16862 C CA . ARG E 5 61 ? -3.415 -47.792 -73.755 1.00 90.74 ? 61 ARG E CA 1 +ATOM 16863 C C . ARG E 5 61 ? -3.734 -47.187 -72.396 1.00 77.98 ? 61 ARG E C 1 +ATOM 16864 O O . ARG E 5 61 ? -2.810 -46.778 -71.684 1.00 81.70 ? 61 ARG E O 1 +ATOM 16865 C CB . ARG E 5 61 ? -2.311 -46.970 -74.437 1.00 100.64 ? 61 ARG E CB 1 +ATOM 16866 C CG . ARG E 5 61 ? -1.586 -47.682 -75.579 1.00 120.54 ? 61 ARG E CG 1 +ATOM 16867 C CD . ARG E 5 61 ? -0.367 -46.879 -76.032 1.00 109.85 ? 61 ARG E CD 1 +ATOM 16868 N NE . ARG E 5 61 ? 0.209 -47.373 -77.280 1.00 105.56 ? 61 ARG E NE 1 +ATOM 16869 C CZ . ARG E 5 61 ? -0.098 -46.903 -78.484 1.00 109.09 ? 61 ARG E CZ 1 +ATOM 16870 N NH1 . ARG E 5 61 ? -1.000 -45.948 -78.648 1.00 108.26 ? 61 ARG E NH1 1 +ATOM 16871 N NH2 . ARG E 5 61 ? 0.516 -47.403 -79.553 1.00 113.12 ? 61 ARG E NH2 1 +ATOM 16872 N N . SER E 5 62 ? -5.009 -47.124 -72.017 1.00 72.94 ? 62 SER E N 1 +ATOM 16873 C CA . SER E 5 62 ? -5.403 -46.655 -70.698 1.00 69.70 ? 62 SER E CA 1 +ATOM 16874 C C . SER E 5 62 ? -5.594 -47.831 -69.741 1.00 73.17 ? 62 SER E C 1 +ATOM 16875 O O . SER E 5 62 ? -6.018 -48.922 -70.136 1.00 71.17 ? 62 SER E O 1 +ATOM 16876 C CB . SER E 5 62 ? -6.689 -45.835 -70.786 1.00 83.36 ? 62 SER E CB 1 +ATOM 16877 O OG . SER E 5 62 ? -7.788 -46.670 -71.091 1.00 86.09 ? 62 SER E OG 1 +ATOM 16878 N N . ILE E 5 63 ? -5.264 -47.594 -68.475 1.00 56.46 ? 63 ILE E N 1 +ATOM 16879 C CA . ILE E 5 63 ? -5.436 -48.595 -67.418 1.00 55.05 ? 63 ILE E CA 1 +ATOM 16880 C C . ILE E 5 63 ? -6.917 -48.719 -67.088 1.00 59.25 ? 63 ILE E C 1 +ATOM 16881 O O . ILE E 5 63 ? -7.617 -47.700 -67.045 1.00 56.62 ? 63 ILE E O 1 +ATOM 16882 C CB . ILE E 5 63 ? -4.639 -48.199 -66.168 1.00 69.85 ? 63 ILE E CB 1 +ATOM 16883 C CG1 . ILE E 5 63 ? -3.224 -47.734 -66.519 1.00 66.40 ? 63 ILE E CG1 1 +ATOM 16884 C CG2 . ILE E 5 63 ? -4.613 -49.330 -65.168 1.00 68.28 ? 63 ILE E CG2 1 +ATOM 16885 C CD1 . ILE E 5 63 ? -2.437 -48.711 -67.300 1.00 62.84 ? 63 ILE E CD1 1 +ATOM 16886 N N . PRO E 5 64 ? -7.444 -49.933 -66.831 1.00 63.21 ? 64 PRO E N 1 +ATOM 16887 C CA . PRO E 5 64 ? -8.835 -50.066 -66.313 1.00 60.47 ? 64 PRO E CA 1 +ATOM 16888 C C . PRO E 5 64 ? -8.901 -49.818 -64.811 1.00 65.15 ? 64 PRO E C 1 +ATOM 16889 O O . PRO E 5 64 ? -9.125 -50.714 -63.983 1.00 56.51 ? 64 PRO E O 1 +ATOM 16890 C CB . PRO E 5 64 ? -9.189 -51.509 -66.690 1.00 60.14 ? 64 PRO E CB 1 +ATOM 16891 C CG . PRO E 5 64 ? -7.879 -52.241 -66.637 1.00 64.05 ? 64 PRO E CG 1 +ATOM 16892 C CD . PRO E 5 64 ? -6.859 -51.243 -67.173 1.00 65.48 ? 64 PRO E CD 1 +ATOM 16893 N N . LEU E 5 65 ? -8.714 -48.562 -64.433 1.00 59.70 ? 65 LEU E N 1 +ATOM 16894 C CA . LEU E 5 65 ? -8.556 -48.220 -63.031 1.00 53.20 ? 65 LEU E CA 1 +ATOM 16895 C C . LEU E 5 65 ? -9.918 -48.041 -62.367 1.00 56.73 ? 65 LEU E C 1 +ATOM 16896 O O . LEU E 5 65 ? -10.797 -47.354 -62.886 1.00 57.89 ? 65 LEU E O 1 +ATOM 16897 C CB . LEU E 5 65 ? -7.714 -46.941 -62.902 1.00 59.46 ? 65 LEU E CB 1 +ATOM 16898 C CG . LEU E 5 65 ? -7.159 -46.689 -61.503 1.00 80.23 ? 65 LEU E CG 1 +ATOM 16899 C CD1 . LEU E 5 65 ? -5.938 -47.611 -61.209 1.00 58.85 ? 65 LEU E CD1 1 +ATOM 16900 C CD2 . LEU E 5 65 ? -6.838 -45.205 -61.312 1.00 85.69 ? 65 LEU E CD2 1 +ATOM 16901 N N . VAL E 5 66 ? -10.097 -48.657 -61.209 1.00 55.97 ? 66 VAL E N 1 +ATOM 16902 C CA . VAL E 5 66 ? -11.347 -48.501 -60.479 1.00 55.15 ? 66 VAL E CA 1 +ATOM 16903 C C . VAL E 5 66 ? -11.468 -47.066 -59.972 1.00 63.83 ? 66 VAL E C 1 +ATOM 16904 O O . VAL E 5 66 ? -10.538 -46.525 -59.357 1.00 55.43 ? 66 VAL E O 1 +ATOM 16905 C CB . VAL E 5 66 ? -11.396 -49.526 -59.338 1.00 62.23 ? 66 VAL E CB 1 +ATOM 16906 C CG1 . VAL E 5 66 ? -12.497 -49.196 -58.367 1.00 54.97 ? 66 VAL E CG1 1 +ATOM 16907 C CG2 . VAL E 5 66 ? -11.561 -50.918 -59.930 1.00 52.91 ? 66 VAL E CG2 1 +ATOM 16908 N N . THR E 5 67 ? -12.610 -46.423 -60.244 1.00 52.87 ? 67 THR E N 1 +ATOM 16909 C CA . THR E 5 67 ? -12.789 -45.030 -59.846 1.00 54.49 ? 67 THR E CA 1 +ATOM 16910 C C . THR E 5 67 ? -14.024 -44.771 -58.989 1.00 57.05 ? 67 THR E C 1 +ATOM 16911 O O . THR E 5 67 ? -14.222 -43.630 -58.559 1.00 61.48 ? 67 THR E O 1 +ATOM 16912 C CB . THR E 5 67 ? -12.846 -44.096 -61.072 1.00 64.33 ? 67 THR E CB 1 +ATOM 16913 O OG1 . THR E 5 67 ? -13.999 -44.403 -61.860 1.00 65.20 ? 67 THR E OG1 1 +ATOM 16914 C CG2 . THR E 5 67 ? -11.585 -44.223 -61.934 1.00 51.91 ? 67 THR E CG2 1 +ATOM 16915 N N . ASP E 5 68 ? -14.851 -45.771 -58.725 1.00 62.53 ? 68 ASP E N 1 +ATOM 16916 C CA . ASP E 5 68 ? -15.993 -45.605 -57.843 1.00 66.44 ? 68 ASP E CA 1 +ATOM 16917 C C . ASP E 5 68 ? -15.892 -46.613 -56.707 1.00 67.27 ? 68 ASP E C 1 +ATOM 16918 O O . ASP E 5 68 ? -15.299 -47.680 -56.862 1.00 72.10 ? 68 ASP E O 1 +ATOM 16919 C CB . ASP E 5 68 ? -17.320 -45.793 -58.583 1.00 67.81 ? 68 ASP E CB 1 +ATOM 16920 C CG . ASP E 5 68 ? -18.509 -45.498 -57.705 1.00 77.38 ? 68 ASP E CG 1 +ATOM 16921 O OD1 . ASP E 5 68 ? -18.742 -44.314 -57.384 1.00 107.80 ? 68 ASP E OD1 1 +ATOM 16922 O OD2 . ASP E 5 68 ? -19.195 -46.450 -57.300 1.00 93.50 ? 68 ASP E OD2 1 +ATOM 16923 N N . ARG E 5 69 ? -16.477 -46.274 -55.559 1.00 62.73 ? 69 ARG E N 1 +ATOM 16924 C CA . ARG E 5 69 ? -16.346 -47.156 -54.410 1.00 54.12 ? 69 ARG E CA 1 +ATOM 16925 C C . ARG E 5 69 ? -17.373 -48.282 -54.454 1.00 56.75 ? 69 ARG E C 1 +ATOM 16926 O O . ARG E 5 69 ? -17.022 -49.459 -54.325 1.00 59.54 ? 69 ARG E O 1 +ATOM 16927 C CB . ARG E 5 69 ? -16.477 -46.363 -53.106 1.00 55.43 ? 69 ARG E CB 1 +ATOM 16928 C CG . ARG E 5 69 ? -16.528 -47.267 -51.885 1.00 54.70 ? 69 ARG E CG 1 +ATOM 16929 C CD . ARG E 5 69 ? -16.276 -46.550 -50.592 1.00 49.58 ? 69 ARG E CD 1 +ATOM 16930 N NE . ARG E 5 69 ? -16.496 -47.446 -49.456 1.00 55.83 ? 69 ARG E NE 1 +ATOM 16931 C CZ . ARG E 5 69 ? -16.462 -47.070 -48.182 1.00 63.57 ? 69 ARG E CZ 1 +ATOM 16932 N NH1 . ARG E 5 69 ? -16.230 -45.815 -47.839 1.00 56.81 ? 69 ARG E NH1 1 +ATOM 16933 N NH2 . ARG E 5 69 ? -16.679 -47.976 -47.227 1.00 58.66 ? 69 ARG E NH2 1 +ATOM 16934 N N . PHE E 5 70 ? -18.645 -47.939 -54.621 1.00 60.99 ? 70 PHE E N 1 +ATOM 16935 C CA . PHE E 5 70 ? -19.727 -48.899 -54.456 1.00 59.92 ? 70 PHE E CA 1 +ATOM 16936 C C . PHE E 5 70 ? -20.159 -49.539 -55.770 1.00 60.87 ? 70 PHE E C 1 +ATOM 16937 O O . PHE E 5 70 ? -20.947 -50.485 -55.752 1.00 72.44 ? 70 PHE E O 1 +ATOM 16938 C CB . PHE E 5 70 ? -20.913 -48.219 -53.773 1.00 61.54 ? 70 PHE E CB 1 +ATOM 16939 C CG . PHE E 5 70 ? -20.561 -47.604 -52.447 1.00 68.88 ? 70 PHE E CG 1 +ATOM 16940 C CD1 . PHE E 5 70 ? -20.274 -48.405 -51.357 1.00 64.26 ? 70 PHE E CD1 1 +ATOM 16941 C CD2 . PHE E 5 70 ? -20.482 -46.234 -52.301 1.00 59.37 ? 70 PHE E CD2 1 +ATOM 16942 C CE1 . PHE E 5 70 ? -19.931 -47.856 -50.147 1.00 63.59 ? 70 PHE E CE1 1 +ATOM 16943 C CE2 . PHE E 5 70 ? -20.143 -45.677 -51.087 1.00 58.94 ? 70 PHE E CE2 1 +ATOM 16944 C CZ . PHE E 5 70 ? -19.866 -46.487 -50.011 1.00 60.11 ? 70 PHE E CZ 1 +ATOM 16945 N N . GLU E 5 71 ? -19.653 -49.051 -56.894 1.00 60.09 ? 71 GLU E N 1 +ATOM 16946 C CA . GLU E 5 71 ? -19.865 -49.654 -58.198 1.00 71.58 ? 71 GLU E CA 1 +ATOM 16947 C C . GLU E 5 71 ? -18.558 -50.188 -58.765 1.00 66.31 ? 71 GLU E C 1 +ATOM 16948 O O . GLU E 5 71 ? -18.452 -50.435 -59.968 1.00 69.80 ? 71 GLU E O 1 +ATOM 16949 C CB . GLU E 5 71 ? -20.506 -48.636 -59.144 1.00 74.57 ? 71 GLU E CB 1 +ATOM 16950 C CG . GLU E 5 71 ? -21.820 -49.110 -59.765 1.00 127.75 ? 71 GLU E CG 1 +ATOM 16951 C CD . GLU E 5 71 ? -22.836 -49.581 -58.726 1.00 124.02 ? 71 GLU E CD 1 +ATOM 16952 O OE1 . GLU E 5 71 ? -23.118 -48.810 -57.783 1.00 106.89 ? 71 GLU E OE1 1 +ATOM 16953 O OE2 . GLU E 5 71 ? -23.348 -50.725 -58.852 1.00 125.37 ? 71 GLU E OE2 1 +ATOM 16954 N N . ALA E 5 72 ? -17.552 -50.356 -57.902 1.00 73.70 ? 72 ALA E N 1 +ATOM 16955 C CA . ALA E 5 72 ? -16.257 -50.855 -58.343 1.00 70.09 ? 72 ALA E CA 1 +ATOM 16956 C C . ALA E 5 72 ? -16.373 -52.251 -58.938 1.00 57.32 ? 72 ALA E C 1 +ATOM 16957 O O . ALA E 5 72 ? -15.654 -52.595 -59.883 1.00 68.04 ? 72 ALA E O 1 +ATOM 16958 C CB . ALA E 5 72 ? -15.282 -50.858 -57.166 1.00 67.43 ? 72 ALA E CB 1 +ATOM 16959 N N . LYS E 5 73 ? -17.249 -53.081 -58.376 1.00 57.02 ? 73 LYS E N 1 +ATOM 16960 C CA . LYS E 5 73 ? -17.405 -54.444 -58.870 1.00 65.92 ? 73 LYS E CA 1 +ATOM 16961 C C . LYS E 5 73 ? -17.919 -54.438 -60.307 1.00 68.10 ? 73 LYS E C 1 +ATOM 16962 O O . LYS E 5 73 ? -17.388 -55.135 -61.179 1.00 65.33 ? 73 LYS E O 1 +ATOM 16963 C CB . LYS E 5 73 ? -18.350 -55.210 -57.946 1.00 68.18 ? 73 LYS E CB 1 +ATOM 16964 C CG . LYS E 5 73 ? -18.592 -56.659 -58.309 1.00 68.53 ? 73 LYS E CG 1 +ATOM 16965 C CD . LYS E 5 73 ? -19.438 -57.326 -57.235 1.00 74.76 ? 73 LYS E CD 1 +ATOM 16966 C CE . LYS E 5 73 ? -19.662 -58.797 -57.537 1.00 81.41 ? 73 LYS E CE 1 +ATOM 16967 N NZ . LYS E 5 73 ? -20.171 -59.002 -58.931 1.00 88.38 ? 73 LYS E NZ 1 +ATOM 16968 N N . GLN E 5 74 ? -18.925 -53.607 -60.576 1.00 69.30 ? 74 GLN E N 1 +ATOM 16969 C CA . GLN E 5 74 ? -19.460 -53.475 -61.923 1.00 68.50 ? 74 GLN E CA 1 +ATOM 16970 C C . GLN E 5 74 ? -18.450 -52.845 -62.876 1.00 67.90 ? 74 GLN E C 1 +ATOM 16971 O O . GLN E 5 74 ? -18.419 -53.199 -64.057 1.00 71.01 ? 74 GLN E O 1 +ATOM 16972 C CB . GLN E 5 74 ? -20.744 -52.656 -61.864 1.00 66.38 ? 74 GLN E CB 1 +ATOM 16973 C CG . GLN E 5 74 ? -21.676 -52.860 -63.030 1.00 119.39 ? 74 GLN E CG 1 +ATOM 16974 C CD . GLN E 5 74 ? -23.019 -52.190 -62.802 1.00 153.66 ? 74 GLN E CD 1 +ATOM 16975 O OE1 . GLN E 5 74 ? -23.589 -52.272 -61.708 1.00 145.58 ? 74 GLN E OE1 1 +ATOM 16976 N NE2 . GLN E 5 74 ? -23.528 -51.511 -63.832 1.00 161.80 ? 74 GLN E NE2 1 +ATOM 16977 N N . GLN E 5 75 ? -17.620 -51.912 -62.391 1.00 71.76 ? 75 GLN E N 1 +ATOM 16978 C CA . GLN E 5 75 ? -16.609 -51.297 -63.251 1.00 61.85 ? 75 GLN E CA 1 +ATOM 16979 C C . GLN E 5 75 ? -15.609 -52.326 -63.741 1.00 65.14 ? 75 GLN E C 1 +ATOM 16980 O O . GLN E 5 75 ? -15.217 -52.306 -64.912 1.00 66.00 ? 75 GLN E O 1 +ATOM 16981 C CB . GLN E 5 75 ? -15.862 -50.190 -62.509 1.00 65.44 ? 75 GLN E CB 1 +ATOM 16982 C CG . GLN E 5 75 ? -16.372 -48.807 -62.753 1.00 73.04 ? 75 GLN E CG 1 +ATOM 16983 C CD . GLN E 5 75 ? -15.592 -47.757 -61.985 1.00 62.90 ? 75 GLN E CD 1 +ATOM 16984 O OE1 . GLN E 5 75 ? -14.785 -48.075 -61.109 1.00 69.13 ? 75 GLN E OE1 1 +ATOM 16985 N NE2 . GLN E 5 75 ? -15.827 -46.498 -62.314 1.00 65.40 ? 75 GLN E NE2 1 +ATOM 16986 N N . VAL E 5 76 ? -15.156 -53.213 -62.849 1.00 61.21 ? 76 VAL E N 1 +ATOM 16987 C CA . VAL E 5 76 ? -14.220 -54.253 -63.264 1.00 65.01 ? 76 VAL E CA 1 +ATOM 16988 C C . VAL E 5 76 ? -14.880 -55.189 -64.265 1.00 71.53 ? 76 VAL E C 1 +ATOM 16989 O O . VAL E 5 76 ? -14.273 -55.575 -65.273 1.00 70.82 ? 76 VAL E O 1 +ATOM 16990 C CB . VAL E 5 76 ? -13.692 -55.017 -62.037 1.00 64.57 ? 76 VAL E CB 1 +ATOM 16991 C CG1 . VAL E 5 76 ? -12.873 -56.223 -62.469 1.00 53.39 ? 76 VAL E CG1 1 +ATOM 16992 C CG2 . VAL E 5 76 ? -12.874 -54.085 -61.154 1.00 65.55 ? 76 VAL E CG2 1 +ATOM 16993 N N . GLU E 5 77 ? -16.135 -55.566 -64.009 1.00 68.26 ? 77 GLU E N 1 +ATOM 16994 C CA . GLU E 5 77 ? -16.834 -56.448 -64.939 1.00 79.95 ? 77 GLU E CA 1 +ATOM 16995 C C . GLU E 5 77 ? -16.996 -55.782 -66.301 1.00 67.39 ? 77 GLU E C 1 +ATOM 16996 O O . GLU E 5 77 ? -16.848 -56.432 -67.339 1.00 69.71 ? 77 GLU E O 1 +ATOM 16997 C CB . GLU E 5 77 ? -18.186 -56.863 -64.351 1.00 71.18 ? 77 GLU E CB 1 +ATOM 16998 C CG . GLU E 5 77 ? -18.051 -57.917 -63.239 1.00 80.82 ? 77 GLU E CG 1 +ATOM 16999 C CD . GLU E 5 77 ? -19.223 -57.931 -62.273 1.00 75.98 ? 77 GLU E CD 1 +ATOM 17000 O OE1 . GLU E 5 77 ? -20.276 -57.349 -62.622 1.00 95.02 ? 77 GLU E OE1 1 +ATOM 17001 O OE2 . GLU E 5 77 ? -19.080 -58.509 -61.161 1.00 76.24 ? 77 GLU E OE2 1 +ATOM 17002 N N . THR E 5 78 ? -17.263 -54.474 -66.311 1.00 66.73 ? 78 THR E N 1 +ATOM 17003 C CA . THR E 5 78 ? -17.336 -53.743 -67.567 1.00 61.31 ? 78 THR E CA 1 +ATOM 17004 C C . THR E 5 78 ? -15.990 -53.735 -68.273 1.00 83.00 ? 78 THR E C 1 +ATOM 17005 O O . THR E 5 78 ? -15.922 -53.917 -69.495 1.00 71.28 ? 78 THR E O 1 +ATOM 17006 C CB . THR E 5 78 ? -17.811 -52.313 -67.319 1.00 76.35 ? 78 THR E CB 1 +ATOM 17007 O OG1 . THR E 5 78 ? -19.102 -52.337 -66.704 1.00 67.86 ? 78 THR E OG1 1 +ATOM 17008 C CG2 . THR E 5 78 ? -17.902 -51.550 -68.631 1.00 71.02 ? 78 THR E CG2 1 +ATOM 17009 N N . PHE E 5 79 ? -14.903 -53.523 -67.526 1.00 70.09 ? 79 PHE E N 1 +ATOM 17010 C CA . PHE E 5 79 ? -13.585 -53.538 -68.154 1.00 68.58 ? 79 PHE E CA 1 +ATOM 17011 C C . PHE E 5 79 ? -13.306 -54.904 -68.766 1.00 82.39 ? 79 PHE E C 1 +ATOM 17012 O O . PHE E 5 79 ? -12.739 -55.001 -69.861 1.00 81.70 ? 79 PHE E O 1 +ATOM 17013 C CB . PHE E 5 79 ? -12.498 -53.161 -67.141 1.00 72.64 ? 79 PHE E CB 1 +ATOM 17014 C CG . PHE E 5 79 ? -12.677 -51.778 -66.508 1.00 86.46 ? 79 PHE E CG 1 +ATOM 17015 C CD1 . PHE E 5 79 ? -13.269 -50.732 -67.213 1.00 78.67 ? 79 PHE E CD1 1 +ATOM 17016 C CD2 . PHE E 5 79 ? -12.258 -51.534 -65.197 1.00 87.11 ? 79 PHE E CD2 1 +ATOM 17017 C CE1 . PHE E 5 79 ? -13.428 -49.466 -66.631 1.00 80.27 ? 79 PHE E CE1 1 +ATOM 17018 C CE2 . PHE E 5 79 ? -12.418 -50.263 -64.603 1.00 90.48 ? 79 PHE E CE2 1 +ATOM 17019 C CZ . PHE E 5 79 ? -13.001 -49.230 -65.332 1.00 81.87 ? 79 PHE E CZ 1 +ATOM 17020 N N . LEU E 5 80 ? -13.750 -55.976 -68.089 1.00 85.21 ? 80 LEU E N 1 +ATOM 17021 C CA . LEU E 5 80 ? -13.484 -57.332 -68.558 1.00 88.35 ? 80 LEU E CA 1 +ATOM 17022 C C . LEU E 5 80 ? -14.286 -57.682 -69.815 1.00 97.51 ? 80 LEU E C 1 +ATOM 17023 O O . LEU E 5 80 ? -13.795 -58.434 -70.663 1.00 82.93 ? 80 LEU E O 1 +ATOM 17024 C CB . LEU E 5 80 ? -13.754 -58.331 -67.432 1.00 71.31 ? 80 LEU E CB 1 +ATOM 17025 C CG . LEU E 5 80 ? -12.708 -58.345 -66.311 1.00 77.70 ? 80 LEU E CG 1 +ATOM 17026 C CD1 . LEU E 5 80 ? -13.108 -59.327 -65.223 1.00 75.56 ? 80 LEU E CD1 1 +ATOM 17027 C CD2 . LEU E 5 80 ? -11.318 -58.692 -66.821 1.00 67.03 ? 80 LEU E CD2 1 +ATOM 17028 N N . GLU E 5 81 ? -15.501 -57.148 -69.962 1.00 85.78 ? 81 GLU E N 1 +ATOM 17029 C CA . GLU E 5 81 ? -16.233 -57.337 -71.212 1.00 81.68 ? 81 GLU E CA 1 +ATOM 17030 C C . GLU E 5 81 ? -15.466 -56.735 -72.380 1.00 82.90 ? 81 GLU E C 1 +ATOM 17031 O O . GLU E 5 81 ? -15.336 -57.353 -73.439 1.00 103.06 ? 81 GLU E O 1 +ATOM 17032 C CB . GLU E 5 81 ? -17.619 -56.698 -71.135 1.00 89.85 ? 81 GLU E CB 1 +ATOM 17033 C CG . GLU E 5 81 ? -18.431 -57.053 -69.912 1.00 91.86 ? 81 GLU E CG 1 +ATOM 17034 C CD . GLU E 5 81 ? -18.708 -58.526 -69.822 1.00 127.00 ? 81 GLU E CD 1 +ATOM 17035 O OE1 . GLU E 5 81 ? -18.950 -59.124 -70.891 1.00 139.58 ? 81 GLU E OE1 1 +ATOM 17036 O OE2 . GLU E 5 81 ? -18.674 -59.084 -68.696 1.00 133.59 ? 81 GLU E OE2 1 +ATOM 17037 N N . GLN E 5 82 ? -14.929 -55.533 -72.193 1.00 87.54 ? 82 GLN E N 1 +ATOM 17038 C CA . GLN E 5 82 ? -14.400 -54.750 -73.303 1.00 93.53 ? 82 GLN E CA 1 +ATOM 17039 C C . GLN E 5 82 ? -13.120 -55.349 -73.878 1.00 103.89 ? 82 GLN E C 1 +ATOM 17040 O O . GLN E 5 82 ? -12.449 -54.728 -74.702 1.00 124.49 ? 82 GLN E O 1 +ATOM 17041 C CB . GLN E 5 82 ? -14.142 -53.305 -72.861 1.00 98.89 ? 82 GLN E CB 1 +ATOM 17042 C CG . GLN E 5 82 ? -15.405 -52.577 -72.423 1.00 102.05 ? 82 GLN E CG 1 +ATOM 17043 C CD . GLN E 5 82 ? -15.111 -51.281 -71.698 1.00 115.23 ? 82 GLN E CD 1 +ATOM 17044 O OE1 . GLN E 5 82 ? -13.954 -50.976 -71.410 1.00 118.40 ? 82 GLN E OE1 1 +ATOM 17045 N NE2 . GLN E 5 82 ? -16.155 -50.506 -71.404 1.00 125.76 ? 82 GLN E NE2 1 +ATOM 17046 N N . LEU E 5 83 ? -12.777 -56.558 -73.431 1.00 92.01 ? 83 LEU E N 1 +ATOM 17047 C CA . LEU E 5 83 ? -11.644 -57.291 -73.969 1.00 114.04 ? 83 LEU E CA 1 +ATOM 17048 C C . LEU E 5 83 ? -12.020 -58.114 -75.203 1.00 126.52 ? 83 LEU E C 1 +ATOM 17049 O O . LEU E 5 83 ? -11.244 -58.983 -75.619 1.00 139.44 ? 83 LEU E O 1 +ATOM 17050 C CB . LEU E 5 83 ? -11.037 -58.188 -72.881 1.00 93.19 ? 83 LEU E CB 1 +ATOM 17051 C CG . LEU E 5 83 ? -10.319 -57.476 -71.727 1.00 91.55 ? 83 LEU E CG 1 +ATOM 17052 C CD1 . LEU E 5 83 ? -9.836 -58.483 -70.694 1.00 71.01 ? 83 LEU E CD1 1 +ATOM 17053 C CD2 . LEU E 5 83 ? -9.158 -56.613 -72.230 1.00 84.61 ? 83 LEU E CD2 1 +ATOM 17054 N N . LYS E 5 84 ? -13.188 -57.848 -75.791 1.00 156.66 ? 84 LYS E N 1 +ATOM 17055 C CA . LYS E 5 84 ? -13.728 -58.605 -76.927 1.00 154.94 ? 84 LYS E CA 1 +ATOM 17056 C C . LYS E 5 84 ? -13.801 -60.107 -76.647 1.00 174.77 ? 84 LYS E C 1 +ATOM 17057 O O . LYS E 5 84 ? -13.678 -60.559 -75.503 1.00 166.68 ? 84 LYS E O 1 +ATOM 17058 C CB . LYS E 5 84 ? -12.904 -58.353 -78.198 1.00 151.28 ? 84 LYS E CB 1 +ATOM 17059 C CG . LYS E 5 84 ? -13.221 -57.040 -78.899 1.00 162.29 ? 84 LYS E CG 1 +ATOM 17060 C CD . LYS E 5 84 ? -12.883 -57.097 -80.388 1.00 171.41 ? 84 LYS E CD 1 +ATOM 17061 C CE . LYS E 5 84 ? -13.365 -55.845 -81.114 1.00 179.04 ? 84 LYS E CE 1 +ATOM 17062 N NZ . LYS E 5 84 ? -13.142 -55.916 -82.585 1.00 167.70 ? 84 LYS E NZ 1 +ATOM 17063 O OXT . LYS E 5 84 ? -13.995 -60.907 -77.567 1.00 180.21 ? 84 LYS E OXT 1 +ATOM 17064 N N . SER F 6 11 ? 6.273 -95.191 -28.065 1.00 116.78 ? 12 SER F N 1 +ATOM 17065 C CA . SER F 6 11 ? 6.772 -94.352 -26.983 1.00 117.04 ? 12 SER F CA 1 +ATOM 17066 C C . SER F 6 11 ? 6.230 -92.920 -27.103 1.00 100.03 ? 12 SER F C 1 +ATOM 17067 O O . SER F 6 11 ? 5.694 -92.382 -26.141 1.00 107.30 ? 12 SER F O 1 +ATOM 17068 C CB . SER F 6 11 ? 8.307 -94.351 -26.976 1.00 129.69 ? 12 SER F CB 1 +ATOM 17069 O OG . SER F 6 11 ? 8.822 -93.987 -25.705 1.00 121.23 ? 12 SER F OG 1 +ATOM 17070 N N . TYR F 6 12 ? 6.364 -92.288 -28.336 1.00 95.47 ? 13 TYR F N 1 +ATOM 17071 C CA . TYR F 6 12 ? 5.940 -90.910 -28.578 1.00 91.43 ? 13 TYR F CA 1 +ATOM 17072 C C . TYR F 6 12 ? 4.603 -90.857 -29.308 1.00 86.23 ? 13 TYR F C 1 +ATOM 17073 O O . TYR F 6 12 ? 4.266 -91.768 -30.076 1.00 85.39 ? 13 TYR F O 1 +ATOM 17074 C CB . TYR F 6 12 ? 6.972 -90.156 -29.419 1.00 81.67 ? 13 TYR F CB 1 +ATOM 17075 C CG . TYR F 6 12 ? 8.314 -89.965 -28.772 1.00 85.52 ? 13 TYR F CG 1 +ATOM 17076 C CD1 . TYR F 6 12 ? 8.503 -89.009 -27.775 1.00 81.23 ? 13 TYR F CD1 1 +ATOM 17077 C CD2 . TYR F 6 12 ? 9.406 -90.714 -29.185 1.00 86.44 ? 13 TYR F CD2 1 +ATOM 17078 C CE1 . TYR F 6 12 ? 9.746 -88.828 -27.195 1.00 72.25 ? 13 TYR F CE1 1 +ATOM 17079 C CE2 . TYR F 6 12 ? 10.646 -90.542 -28.615 1.00 78.00 ? 13 TYR F CE2 1 +ATOM 17080 C CZ . TYR F 6 12 ? 10.813 -89.602 -27.624 1.00 83.03 ? 13 TYR F CZ 1 +ATOM 17081 O OH . TYR F 6 12 ? 12.064 -89.448 -27.068 1.00 118.29 ? 13 TYR F OH 1 +ATOM 17082 N N . PRO F 6 13 ? 3.828 -89.788 -29.123 1.00 83.10 ? 14 PRO F N 1 +ATOM 17083 C CA . PRO F 6 13 ? 2.657 -89.582 -29.983 1.00 85.37 ? 14 PRO F CA 1 +ATOM 17084 C C . PRO F 6 13 ? 3.073 -89.108 -31.371 1.00 92.20 ? 14 PRO F C 1 +ATOM 17085 O O . PRO F 6 13 ? 4.210 -88.688 -31.609 1.00 74.51 ? 14 PRO F O 1 +ATOM 17086 C CB . PRO F 6 13 ? 1.843 -88.517 -29.244 1.00 78.47 ? 14 PRO F CB 1 +ATOM 17087 C CG . PRO F 6 13 ? 2.870 -87.762 -28.444 1.00 98.46 ? 14 PRO F CG 1 +ATOM 17088 C CD . PRO F 6 13 ? 3.981 -88.724 -28.113 1.00 73.96 ? 14 PRO F CD 1 +ATOM 17089 N N . ILE F 6 14 ? 2.136 -89.216 -32.307 1.00 74.12 ? 15 ILE F N 1 +ATOM 17090 C CA . ILE F 6 14 ? 2.367 -88.778 -33.673 1.00 86.07 ? 15 ILE F CA 1 +ATOM 17091 C C . ILE F 6 14 ? 1.689 -87.444 -33.951 1.00 83.24 ? 15 ILE F C 1 +ATOM 17092 O O . ILE F 6 14 ? 2.290 -86.553 -34.549 1.00 76.36 ? 15 ILE F O 1 +ATOM 17093 C CB . ILE F 6 14 ? 1.911 -89.862 -34.672 1.00 67.59 ? 15 ILE F CB 1 +ATOM 17094 C CG1 . ILE F 6 14 ? 2.837 -91.074 -34.564 1.00 86.66 ? 15 ILE F CG1 1 +ATOM 17095 C CG2 . ILE F 6 14 ? 1.920 -89.322 -36.083 1.00 67.55 ? 15 ILE F CG2 1 +ATOM 17096 C CD1 . ILE F 6 14 ? 2.556 -92.171 -35.567 1.00 97.32 ? 15 ILE F CD1 1 +ATOM 17097 N N . PHE F 6 15 ? 0.461 -87.286 -33.488 1.00 68.00 ? 16 PHE F N 1 +ATOM 17098 C CA . PHE F 6 15 ? -0.350 -86.109 -33.758 1.00 75.23 ? 16 PHE F CA 1 +ATOM 17099 C C . PHE F 6 15 ? -0.369 -85.236 -32.507 1.00 82.31 ? 16 PHE F C 1 +ATOM 17100 O O . PHE F 6 15 ? -1.060 -85.537 -31.529 1.00 84.44 ? 16 PHE F O 1 +ATOM 17101 C CB . PHE F 6 15 ? -1.731 -86.541 -34.215 1.00 68.15 ? 16 PHE F CB 1 +ATOM 17102 C CG . PHE F 6 15 ? -1.687 -87.364 -35.470 1.00 86.01 ? 16 PHE F CG 1 +ATOM 17103 C CD1 . PHE F 6 15 ? -1.559 -86.752 -36.709 1.00 84.30 ? 16 PHE F CD1 1 +ATOM 17104 C CD2 . PHE F 6 15 ? -1.711 -88.750 -35.414 1.00 103.45 ? 16 PHE F CD2 1 +ATOM 17105 C CE1 . PHE F 6 15 ? -1.493 -87.501 -37.872 1.00 83.25 ? 16 PHE F CE1 1 +ATOM 17106 C CE2 . PHE F 6 15 ? -1.644 -89.511 -36.574 1.00 95.35 ? 16 PHE F CE2 1 +ATOM 17107 C CZ . PHE F 6 15 ? -1.533 -88.886 -37.803 1.00 98.57 ? 16 PHE F CZ 1 +ATOM 17108 N N . THR F 6 16 ? 0.422 -84.166 -32.540 1.00 80.52 ? 17 THR F N 1 +ATOM 17109 C CA . THR F 6 16 ? 0.512 -83.180 -31.474 1.00 73.52 ? 17 THR F CA 1 +ATOM 17110 C C . THR F 6 16 ? 0.209 -81.799 -32.032 1.00 80.04 ? 17 THR F C 1 +ATOM 17111 O O . THR F 6 16 ? 0.038 -81.608 -33.246 1.00 68.72 ? 17 THR F O 1 +ATOM 17112 C CB . THR F 6 16 ? 1.905 -83.173 -30.826 1.00 68.32 ? 17 THR F CB 1 +ATOM 17113 O OG1 . THR F 6 16 ? 2.890 -82.823 -31.815 1.00 63.57 ? 17 THR F OG1 1 +ATOM 17114 C CG2 . THR F 6 16 ? 2.234 -84.537 -30.267 1.00 72.21 ? 17 THR F CG2 1 +ATOM 17115 N N . VAL F 6 17 ? 0.156 -80.831 -31.113 1.00 70.72 ? 18 VAL F N 1 +ATOM 17116 C CA . VAL F 6 17 ? 0.086 -79.422 -31.497 1.00 67.04 ? 18 VAL F CA 1 +ATOM 17117 C C . VAL F 6 17 ? 1.247 -79.070 -32.420 1.00 61.22 ? 18 VAL F C 1 +ATOM 17118 O O . VAL F 6 17 ? 1.062 -78.432 -33.462 1.00 64.28 ? 18 VAL F O 1 +ATOM 17119 C CB . VAL F 6 17 ? 0.073 -78.526 -30.244 1.00 79.33 ? 18 VAL F CB 1 +ATOM 17120 C CG1 . VAL F 6 17 ? 0.208 -77.035 -30.650 1.00 54.36 ? 18 VAL F CG1 1 +ATOM 17121 C CG2 . VAL F 6 17 ? -1.188 -78.784 -29.413 1.00 58.68 ? 18 VAL F CG2 1 +ATOM 17122 N N . ARG F 6 18 ? 2.462 -79.499 -32.056 1.00 57.91 ? 19 ARG F N 1 +ATOM 17123 C CA . ARG F 6 18 ? 3.621 -79.257 -32.910 1.00 64.39 ? 19 ARG F CA 1 +ATOM 17124 C C . ARG F 6 18 ? 3.411 -79.834 -34.306 1.00 70.50 ? 19 ARG F C 1 +ATOM 17125 O O . ARG F 6 18 ? 3.801 -79.220 -35.309 1.00 62.76 ? 19 ARG F O 1 +ATOM 17126 C CB . ARG F 6 18 ? 4.872 -79.851 -32.273 1.00 57.83 ? 19 ARG F CB 1 +ATOM 17127 C CG . ARG F 6 18 ? 6.142 -79.520 -33.043 1.00 64.70 ? 19 ARG F CG 1 +ATOM 17128 C CD . ARG F 6 18 ? 7.336 -80.277 -32.489 1.00 62.21 ? 19 ARG F CD 1 +ATOM 17129 N NE . ARG F 6 18 ? 7.280 -81.674 -32.906 1.00 71.46 ? 19 ARG F NE 1 +ATOM 17130 C CZ . ARG F 6 18 ? 8.232 -82.571 -32.683 1.00 75.69 ? 19 ARG F CZ 1 +ATOM 17131 N NH1 . ARG F 6 18 ? 9.319 -82.272 -31.990 1.00 61.92 ? 19 ARG F NH1 1 +ATOM 17132 N NH2 . ARG F 6 18 ? 8.097 -83.794 -33.187 1.00 67.32 ? 19 ARG F NH2 1 +ATOM 17133 N N . TRP F 6 19 ? 2.786 -81.012 -34.388 1.00 68.18 ? 20 TRP F N 1 +ATOM 17134 C CA . TRP F 6 19 ? 2.509 -81.621 -35.680 1.00 58.18 ? 20 TRP F CA 1 +ATOM 17135 C C . TRP F 6 19 ? 1.609 -80.723 -36.522 1.00 64.24 ? 20 TRP F C 1 +ATOM 17136 O O . TRP F 6 19 ? 1.866 -80.513 -37.712 1.00 57.88 ? 20 TRP F O 1 +ATOM 17137 C CB . TRP F 6 19 ? 1.875 -83.003 -35.479 1.00 62.21 ? 20 TRP F CB 1 +ATOM 17138 C CG . TRP F 6 19 ? 1.706 -83.815 -36.736 1.00 63.49 ? 20 TRP F CG 1 +ATOM 17139 C CD1 . TRP F 6 19 ? 2.506 -84.844 -37.161 1.00 82.97 ? 20 TRP F CD1 1 +ATOM 17140 C CD2 . TRP F 6 19 ? 0.663 -83.691 -37.717 1.00 67.05 ? 20 TRP F CD2 1 +ATOM 17141 N NE1 . TRP F 6 19 ? 2.033 -85.359 -38.354 1.00 72.26 ? 20 TRP F NE1 1 +ATOM 17142 C CE2 . TRP F 6 19 ? 0.900 -84.676 -38.713 1.00 72.81 ? 20 TRP F CE2 1 +ATOM 17143 C CE3 . TRP F 6 19 ? -0.444 -82.850 -37.856 1.00 64.58 ? 20 TRP F CE3 1 +ATOM 17144 C CZ2 . TRP F 6 19 ? 0.082 -84.824 -39.833 1.00 64.61 ? 20 TRP F CZ2 1 +ATOM 17145 C CZ3 . TRP F 6 19 ? -1.257 -82.997 -38.980 1.00 71.82 ? 20 TRP F CZ3 1 +ATOM 17146 C CH2 . TRP F 6 19 ? -0.991 -83.980 -39.947 1.00 70.25 ? 20 TRP F CH2 1 +ATOM 17147 N N . VAL F 6 20 ? 0.536 -80.200 -35.921 1.00 60.05 ? 21 VAL F N 1 +ATOM 17148 C CA . VAL F 6 20 ? -0.366 -79.293 -36.623 1.00 62.59 ? 21 VAL F CA 1 +ATOM 17149 C C . VAL F 6 20 ? 0.375 -78.032 -37.063 1.00 60.90 ? 21 VAL F C 1 +ATOM 17150 O O . VAL F 6 20 ? 0.270 -77.602 -38.213 1.00 67.44 ? 21 VAL F O 1 +ATOM 17151 C CB . VAL F 6 20 ? -1.572 -78.947 -35.731 1.00 73.70 ? 21 VAL F CB 1 +ATOM 17152 C CG1 . VAL F 6 20 ? -2.362 -77.795 -36.325 1.00 63.02 ? 21 VAL F CG1 1 +ATOM 17153 C CG2 . VAL F 6 20 ? -2.461 -80.168 -35.551 1.00 82.14 ? 21 VAL F CG2 1 +ATOM 17154 N N . ALA F 6 21 ? 1.141 -77.423 -36.154 1.00 59.29 ? 22 ALA F N 1 +ATOM 17155 C CA . ALA F 6 21 ? 1.842 -76.192 -36.504 1.00 64.18 ? 22 ALA F CA 1 +ATOM 17156 C C . ALA F 6 21 ? 2.823 -76.423 -37.650 1.00 64.30 ? 22 ALA F C 1 +ATOM 17157 O O . ALA F 6 21 ? 2.877 -75.625 -38.593 1.00 63.35 ? 22 ALA F O 1 +ATOM 17158 C CB . ALA F 6 21 ? 2.556 -75.612 -35.283 1.00 56.44 ? 22 ALA F CB 1 +ATOM 17159 N N . VAL F 6 22 ? 3.576 -77.527 -37.610 1.00 64.85 ? 23 VAL F N 1 +ATOM 17160 C CA . VAL F 6 22 ? 4.496 -77.842 -38.705 1.00 57.37 ? 23 VAL F CA 1 +ATOM 17161 C C . VAL F 6 22 ? 3.755 -77.902 -40.037 1.00 67.57 ? 23 VAL F C 1 +ATOM 17162 O O . VAL F 6 22 ? 4.215 -77.353 -41.048 1.00 61.61 ? 23 VAL F O 1 +ATOM 17163 C CB . VAL F 6 22 ? 5.237 -79.163 -38.420 1.00 64.56 ? 23 VAL F CB 1 +ATOM 17164 C CG1 . VAL F 6 22 ? 5.881 -79.724 -39.715 1.00 58.56 ? 23 VAL F CG1 1 +ATOM 17165 C CG2 . VAL F 6 22 ? 6.260 -78.991 -37.290 1.00 57.22 ? 23 VAL F CG2 1 +ATOM 17166 N N . HIS F 6 23 ? 2.588 -78.550 -40.062 1.00 55.35 ? 24 HIS F N 1 +ATOM 17167 C CA . HIS F 6 23 ? 1.963 -78.831 -41.347 1.00 65.64 ? 24 HIS F CA 1 +ATOM 17168 C C . HIS F 6 23 ? 1.144 -77.661 -41.887 1.00 61.08 ? 24 HIS F C 1 +ATOM 17169 O O . HIS F 6 23 ? 1.018 -77.534 -43.109 1.00 67.68 ? 24 HIS F O 1 +ATOM 17170 C CB . HIS F 6 23 ? 1.112 -80.097 -41.241 1.00 63.29 ? 24 HIS F CB 1 +ATOM 17171 C CG . HIS F 6 23 ? 1.931 -81.350 -41.192 1.00 76.55 ? 24 HIS F CG 1 +ATOM 17172 N ND1 . HIS F 6 23 ? 2.349 -81.921 -40.008 1.00 64.88 ? 24 HIS F ND1 1 +ATOM 17173 C CD2 . HIS F 6 23 ? 2.451 -82.110 -42.185 1.00 62.63 ? 24 HIS F CD2 1 +ATOM 17174 C CE1 . HIS F 6 23 ? 3.084 -82.986 -40.277 1.00 69.20 ? 24 HIS F CE1 1 +ATOM 17175 N NE2 . HIS F 6 23 ? 3.156 -83.124 -41.587 1.00 62.44 ? 24 HIS F NE2 1 +ATOM 17176 N N . THR F 6 24 ? 0.597 -76.793 -41.021 1.00 60.20 ? 25 THR F N 1 +ATOM 17177 C CA . THR F 6 24 ? -0.087 -75.608 -41.541 1.00 59.72 ? 25 THR F CA 1 +ATOM 17178 C C . THR F 6 24 ? 0.875 -74.684 -42.283 1.00 54.45 ? 25 THR F C 1 +ATOM 17179 O O . THR F 6 24 ? 0.437 -73.926 -43.152 1.00 60.75 ? 25 THR F O 1 +ATOM 17180 C CB . THR F 6 24 ? -0.786 -74.825 -40.425 1.00 56.57 ? 25 THR F CB 1 +ATOM 17181 O OG1 . THR F 6 24 ? 0.207 -74.283 -39.564 1.00 69.91 ? 25 THR F OG1 1 +ATOM 17182 C CG2 . THR F 6 24 ? -1.700 -75.717 -39.595 1.00 53.73 ? 25 THR F CG2 1 +ATOM 17183 N N . LEU F 6 25 ? 2.169 -74.746 -41.977 1.00 56.82 ? 26 LEU F N 1 +ATOM 17184 C CA . LEU F 6 25 ? 3.183 -74.027 -42.741 1.00 57.94 ? 26 LEU F CA 1 +ATOM 17185 C C . LEU F 6 25 ? 3.730 -74.841 -43.904 1.00 59.68 ? 26 LEU F C 1 +ATOM 17186 O O . LEU F 6 25 ? 3.816 -74.336 -45.024 1.00 64.74 ? 26 LEU F O 1 +ATOM 17187 C CB . LEU F 6 25 ? 4.348 -73.631 -41.830 1.00 64.82 ? 26 LEU F CB 1 +ATOM 17188 C CG . LEU F 6 25 ? 4.003 -72.641 -40.729 1.00 71.09 ? 26 LEU F CG 1 +ATOM 17189 C CD1 . LEU F 6 25 ? 5.203 -72.386 -39.839 1.00 72.76 ? 26 LEU F CD1 1 +ATOM 17190 C CD2 . LEU F 6 25 ? 3.476 -71.364 -41.358 1.00 55.24 ? 26 LEU F CD2 1 +ATOM 17191 N N . ALA F 6 26 ? 4.121 -76.097 -43.646 1.00 65.33 ? 27 ALA F N 1 +ATOM 17192 C CA . ALA F 6 26 ? 4.833 -76.877 -44.657 1.00 60.50 ? 27 ALA F CA 1 +ATOM 17193 C C . ALA F 6 26 ? 3.930 -77.274 -45.820 1.00 58.33 ? 27 ALA F C 1 +ATOM 17194 O O . ALA F 6 26 ? 4.396 -77.353 -46.963 1.00 57.66 ? 27 ALA F O 1 +ATOM 17195 C CB . ALA F 6 26 ? 5.455 -78.120 -44.021 1.00 60.78 ? 27 ALA F CB 1 +ATOM 17196 N N . VAL F 6 27 ? 2.647 -77.506 -45.569 1.00 55.47 ? 28 VAL F N 1 +ATOM 17197 C CA . VAL F 6 27 ? 1.771 -78.026 -46.617 1.00 60.36 ? 28 VAL F CA 1 +ATOM 17198 C C . VAL F 6 27 ? 1.550 -76.952 -47.684 1.00 58.90 ? 28 VAL F C 1 +ATOM 17199 O O . VAL F 6 27 ? 1.812 -77.218 -48.873 1.00 59.90 ? 28 VAL F O 1 +ATOM 17200 C CB . VAL F 6 27 ? 0.459 -78.571 -46.013 1.00 66.81 ? 28 VAL F CB 1 +ATOM 17201 C CG1 . VAL F 6 27 ? -0.642 -78.686 -47.064 1.00 56.50 ? 28 VAL F CG1 1 +ATOM 17202 C CG2 . VAL F 6 27 ? 0.717 -79.914 -45.385 1.00 59.04 ? 28 VAL F CG2 1 +ATOM 17203 N N . PRO F 6 28 ? 1.114 -75.727 -47.340 1.00 71.32 ? 29 PRO F N 1 +ATOM 17204 C CA . PRO F 6 28 ? 1.004 -74.688 -48.394 1.00 58.90 ? 29 PRO F CA 1 +ATOM 17205 C C . PRO F 6 28 ? 2.336 -74.312 -49.010 1.00 50.14 ? 29 PRO F C 1 +ATOM 17206 O O . PRO F 6 28 ? 2.379 -74.015 -50.211 1.00 58.53 ? 29 PRO F O 1 +ATOM 17207 C CB . PRO F 6 28 ? 0.371 -73.498 -47.668 1.00 57.51 ? 29 PRO F CB 1 +ATOM 17208 C CG . PRO F 6 28 ? -0.238 -74.074 -46.431 1.00 65.42 ? 29 PRO F CG 1 +ATOM 17209 C CD . PRO F 6 28 ? 0.655 -75.213 -46.035 1.00 61.74 ? 29 PRO F CD 1 +ATOM 17210 N N . THR F 6 29 ? 3.431 -74.363 -48.250 1.00 49.44 ? 30 THR F N 1 +ATOM 17211 C CA . THR F 6 29 ? 4.722 -74.003 -48.821 1.00 53.49 ? 30 THR F CA 1 +ATOM 17212 C C . THR F 6 29 ? 5.038 -74.852 -50.050 1.00 60.45 ? 30 THR F C 1 +ATOM 17213 O O . THR F 6 29 ? 5.381 -74.318 -51.115 1.00 60.69 ? 30 THR F O 1 +ATOM 17214 C CB . THR F 6 29 ? 5.826 -74.121 -47.762 1.00 54.33 ? 30 THR F CB 1 +ATOM 17215 O OG1 . THR F 6 29 ? 5.572 -73.192 -46.706 1.00 56.85 ? 30 THR F OG1 1 +ATOM 17216 C CG2 . THR F 6 29 ? 7.190 -73.805 -48.363 1.00 51.22 ? 30 THR F CG2 1 +ATOM 17217 N N . ILE F 6 30 ? 4.890 -76.180 -49.939 1.00 67.75 ? 31 ILE F N 1 +ATOM 17218 C CA . ILE F 6 30 ? 5.235 -77.049 -51.068 1.00 55.34 ? 31 ILE F CA 1 +ATOM 17219 C C . ILE F 6 30 ? 4.311 -76.799 -52.256 1.00 49.78 ? 31 ILE F C 1 +ATOM 17220 O O . ILE F 6 30 ? 4.756 -76.776 -53.411 1.00 56.73 ? 31 ILE F O 1 +ATOM 17221 C CB . ILE F 6 30 ? 5.212 -78.529 -50.646 1.00 64.18 ? 31 ILE F CB 1 +ATOM 17222 C CG1 . ILE F 6 30 ? 6.258 -78.794 -49.556 1.00 66.43 ? 31 ILE F CG1 1 +ATOM 17223 C CG2 . ILE F 6 30 ? 5.444 -79.409 -51.854 1.00 56.20 ? 31 ILE F CG2 1 +ATOM 17224 C CD1 . ILE F 6 30 ? 7.647 -78.292 -49.886 1.00 64.76 ? 31 ILE F CD1 1 +ATOM 17225 N N . PHE F 6 31 ? 3.012 -76.653 -51.997 1.00 55.97 ? 32 PHE F N 1 +ATOM 17226 C CA . PHE F 6 31 ? 2.056 -76.318 -53.049 1.00 53.19 ? 32 PHE F CA 1 +ATOM 17227 C C . PHE F 6 31 ? 2.451 -75.018 -53.761 1.00 57.67 ? 32 PHE F C 1 +ATOM 17228 O O . PHE F 6 31 ? 2.437 -74.941 -54.999 1.00 59.64 ? 32 PHE F O 1 +ATOM 17229 C CB . PHE F 6 31 ? 0.656 -76.217 -52.423 1.00 56.17 ? 32 PHE F CB 1 +ATOM 17230 C CG . PHE F 6 31 ? -0.434 -75.827 -53.388 1.00 66.55 ? 32 PHE F CG 1 +ATOM 17231 C CD1 . PHE F 6 31 ? -0.701 -74.489 -53.657 1.00 63.77 ? 32 PHE F CD1 1 +ATOM 17232 C CD2 . PHE F 6 31 ? -1.204 -76.795 -54.015 1.00 59.15 ? 32 PHE F CD2 1 +ATOM 17233 C CE1 . PHE F 6 31 ? -1.706 -74.125 -54.549 1.00 66.63 ? 32 PHE F CE1 1 +ATOM 17234 C CE2 . PHE F 6 31 ? -2.206 -76.441 -54.896 1.00 65.96 ? 32 PHE F CE2 1 +ATOM 17235 C CZ . PHE F 6 31 ? -2.457 -75.105 -55.169 1.00 73.95 ? 32 PHE F CZ 1 +ATOM 17236 N N . PHE F 6 32 ? 2.830 -73.986 -52.993 1.00 53.25 ? 33 PHE F N 1 +ATOM 17237 C CA . PHE F 6 32 ? 3.227 -72.710 -53.599 1.00 52.84 ? 33 PHE F CA 1 +ATOM 17238 C C . PHE F 6 32 ? 4.508 -72.849 -54.405 1.00 50.64 ? 33 PHE F C 1 +ATOM 17239 O O . PHE F 6 32 ? 4.649 -72.230 -55.470 1.00 52.40 ? 33 PHE F O 1 +ATOM 17240 C CB . PHE F 6 32 ? 3.423 -71.637 -52.526 1.00 50.19 ? 33 PHE F CB 1 +ATOM 17241 C CG . PHE F 6 32 ? 2.186 -70.849 -52.211 1.00 60.22 ? 33 PHE F CG 1 +ATOM 17242 C CD1 . PHE F 6 32 ? 1.061 -71.470 -51.679 1.00 51.57 ? 33 PHE F CD1 1 +ATOM 17243 C CD2 . PHE F 6 32 ? 2.152 -69.467 -52.429 1.00 54.43 ? 33 PHE F CD2 1 +ATOM 17244 C CE1 . PHE F 6 32 ? -0.080 -70.732 -51.379 1.00 53.64 ? 33 PHE F CE1 1 +ATOM 17245 C CE2 . PHE F 6 32 ? 1.024 -68.729 -52.114 1.00 57.94 ? 33 PHE F CE2 1 +ATOM 17246 C CZ . PHE F 6 32 ? -0.093 -69.367 -51.584 1.00 51.95 ? 33 PHE F CZ 1 +ATOM 17247 N N . LEU F 6 33 ? 5.462 -73.649 -53.910 1.00 51.55 ? 34 LEU F N 1 +ATOM 17248 C CA . LEU F 6 33 ? 6.709 -73.831 -54.647 1.00 54.71 ? 34 LEU F CA 1 +ATOM 17249 C C . LEU F 6 33 ? 6.458 -74.503 -55.992 1.00 58.73 ? 34 LEU F C 1 +ATOM 17250 O O . LEU F 6 33 ? 7.108 -74.170 -56.991 1.00 58.19 ? 34 LEU F O 1 +ATOM 17251 C CB . LEU F 6 33 ? 7.708 -74.633 -53.817 1.00 55.64 ? 34 LEU F CB 1 +ATOM 17252 C CG . LEU F 6 33 ? 8.342 -73.871 -52.650 1.00 67.73 ? 34 LEU F CG 1 +ATOM 17253 C CD1 . LEU F 6 33 ? 9.177 -74.806 -51.781 1.00 62.46 ? 34 LEU F CD1 1 +ATOM 17254 C CD2 . LEU F 6 33 ? 9.181 -72.713 -53.187 1.00 53.77 ? 34 LEU F CD2 1 +ATOM 17255 N N . GLY F 6 34 ? 5.511 -75.444 -56.042 1.00 54.47 ? 35 GLY F N 1 +ATOM 17256 C CA . GLY F 6 34 ? 5.169 -76.045 -57.318 1.00 51.93 ? 35 GLY F CA 1 +ATOM 17257 C C . GLY F 6 34 ? 4.499 -75.057 -58.247 1.00 55.76 ? 35 GLY F C 1 +ATOM 17258 O O . GLY F 6 34 ? 4.769 -75.040 -59.456 1.00 54.79 ? 35 GLY F O 1 +ATOM 17259 N N . ALA F 6 35 ? 3.638 -74.197 -57.694 1.00 54.42 ? 36 ALA F N 1 +ATOM 17260 C CA . ALA F 6 35 ? 2.991 -73.189 -58.530 1.00 57.53 ? 36 ALA F CA 1 +ATOM 17261 C C . ALA F 6 35 ? 4.013 -72.201 -59.093 1.00 52.23 ? 36 ALA F C 1 +ATOM 17262 O O . ALA F 6 35 ? 3.950 -71.836 -60.271 1.00 57.66 ? 36 ALA F O 1 +ATOM 17263 C CB . ALA F 6 35 ? 1.901 -72.472 -57.735 1.00 53.92 ? 36 ALA F CB 1 +ATOM 17264 N N . ILE F 6 36 ? 4.983 -71.786 -58.274 1.00 56.57 ? 37 ILE F N 1 +ATOM 17265 C CA . ILE F 6 36 ? 5.965 -70.812 -58.724 1.00 55.23 ? 37 ILE F CA 1 +ATOM 17266 C C . ILE F 6 36 ? 6.955 -71.463 -59.681 1.00 53.73 ? 37 ILE F C 1 +ATOM 17267 O O . ILE F 6 36 ? 7.436 -70.812 -60.614 1.00 54.10 ? 37 ILE F O 1 +ATOM 17268 C CB . ILE F 6 36 ? 6.670 -70.143 -57.513 1.00 69.86 ? 37 ILE F CB 1 +ATOM 17269 C CG1 . ILE F 6 36 ? 5.662 -69.384 -56.631 1.00 52.79 ? 37 ILE F CG1 1 +ATOM 17270 C CG2 . ILE F 6 36 ? 7.757 -69.144 -57.973 1.00 54.50 ? 37 ILE F CG2 1 +ATOM 17271 C CD1 . ILE F 6 36 ? 6.205 -68.991 -55.249 1.00 49.71 ? 37 ILE F CD1 1 +ATOM 17272 N N . ALA F 6 37 ? 7.272 -72.749 -59.487 1.00 55.77 ? 38 ALA F N 1 +ATOM 17273 C CA . ALA F 6 37 ? 8.104 -73.457 -60.467 1.00 56.97 ? 38 ALA F CA 1 +ATOM 17274 C C . ALA F 6 37 ? 7.432 -73.496 -61.837 1.00 59.20 ? 38 ALA F C 1 +ATOM 17275 O O . ALA F 6 37 ? 8.081 -73.259 -62.872 1.00 59.19 ? 38 ALA F O 1 +ATOM 17276 C CB . ALA F 6 37 ? 8.412 -74.872 -59.975 1.00 56.59 ? 38 ALA F CB 1 +ATOM 17277 N N . ALA F 6 38 ? 6.122 -73.761 -61.866 1.00 57.60 ? 39 ALA F N 1 +ATOM 17278 C CA . ALA F 6 38 ? 5.399 -73.757 -63.135 1.00 54.54 ? 39 ALA F CA 1 +ATOM 17279 C C . ALA F 6 38 ? 5.437 -72.382 -63.800 1.00 58.99 ? 39 ALA F C 1 +ATOM 17280 O O . ALA F 6 38 ? 5.471 -72.285 -65.031 1.00 58.42 ? 39 ALA F O 1 +ATOM 17281 C CB . ALA F 6 38 ? 3.953 -74.206 -62.916 1.00 53.72 ? 39 ALA F CB 1 +ATOM 17282 N N . MET F 6 39 ? 5.460 -71.308 -63.009 1.00 60.90 ? 40 MET F N 1 +ATOM 17283 C CA . MET F 6 39 ? 5.440 -69.981 -63.608 1.00 59.34 ? 40 MET F CA 1 +ATOM 17284 C C . MET F 6 39 ? 6.681 -69.707 -64.453 1.00 56.62 ? 40 MET F C 1 +ATOM 17285 O O . MET F 6 39 ? 6.621 -68.874 -65.366 1.00 55.32 ? 40 MET F O 1 +ATOM 17286 C CB . MET F 6 39 ? 5.282 -68.926 -62.515 1.00 56.61 ? 40 MET F CB 1 +ATOM 17287 C CG . MET F 6 39 ? 3.940 -68.986 -61.814 1.00 57.92 ? 40 MET F CG 1 +ATOM 17288 S SD . MET F 6 39 ? 3.944 -67.927 -60.365 1.00 55.40 ? 40 MET F SD 1 +ATOM 17289 C CE . MET F 6 39 ? 2.428 -68.378 -59.514 1.00 49.45 ? 40 MET F CE 1 +ATOM 17290 N N . GLN F 6 40 ? 7.790 -70.410 -64.203 1.00 57.03 ? 41 GLN F N 1 +ATOM 17291 C CA . GLN F 6 40 ? 9.022 -70.102 -64.920 1.00 49.78 ? 41 GLN F CA 1 +ATOM 17292 C C . GLN F 6 40 ? 8.972 -70.534 -66.375 1.00 62.05 ? 41 GLN F C 1 +ATOM 17293 O O . GLN F 6 40 ? 9.915 -70.249 -67.123 1.00 66.88 ? 41 GLN F O 1 +ATOM 17294 C CB . GLN F 6 40 ? 10.232 -70.758 -64.236 1.00 51.42 ? 41 GLN F CB 1 +ATOM 17295 C CG . GLN F 6 40 ? 10.320 -70.517 -62.727 1.00 57.81 ? 41 GLN F CG 1 +ATOM 17296 C CD . GLN F 6 40 ? 10.154 -69.044 -62.359 1.00 64.56 ? 41 GLN F CD 1 +ATOM 17297 O OE1 . GLN F 6 40 ? 10.673 -68.149 -63.045 1.00 56.54 ? 41 GLN F OE1 1 +ATOM 17298 N NE2 . GLN F 6 40 ? 9.410 -68.786 -61.296 1.00 53.45 ? 41 GLN F NE2 1 +ATOM 17299 N N . PHE F 6 41 ? 7.918 -71.224 -66.790 1.00 54.05 ? 42 PHE F N 1 +ATOM 17300 C CA . PHE F 6 41 ? 7.777 -71.644 -68.175 1.00 67.35 ? 42 PHE F CA 1 +ATOM 17301 C C . PHE F 6 41 ? 6.649 -70.906 -68.881 1.00 63.06 ? 42 PHE F C 1 +ATOM 17302 O O . PHE F 6 41 ? 6.319 -71.245 -70.015 1.00 67.56 ? 42 PHE F O 1 +ATOM 17303 C CB . PHE F 6 41 ? 7.586 -73.165 -68.230 1.00 60.12 ? 42 PHE F CB 1 +ATOM 17304 C CG . PHE F 6 41 ? 8.691 -73.906 -67.548 1.00 67.17 ? 42 PHE F CG 1 +ATOM 17305 C CD1 . PHE F 6 41 ? 8.577 -74.278 -66.213 1.00 56.69 ? 42 PHE F CD1 1 +ATOM 17306 C CD2 . PHE F 6 41 ? 9.877 -74.170 -68.216 1.00 64.89 ? 42 PHE F CD2 1 +ATOM 17307 C CE1 . PHE F 6 41 ? 9.621 -74.934 -65.567 1.00 64.32 ? 42 PHE F CE1 1 +ATOM 17308 C CE2 . PHE F 6 41 ? 10.921 -74.830 -67.578 1.00 64.86 ? 42 PHE F CE2 1 +ATOM 17309 C CZ . PHE F 6 41 ? 10.791 -75.210 -66.250 1.00 67.55 ? 42 PHE F CZ 1 +ATOM 17310 N N . ILE F 6 42 ? 6.049 -69.909 -68.235 1.00 58.67 ? 43 ILE F N 1 +ATOM 17311 C CA . ILE F 6 42 ? 5.041 -69.091 -68.895 1.00 67.43 ? 43 ILE F CA 1 +ATOM 17312 C C . ILE F 6 42 ? 5.737 -68.111 -69.831 1.00 64.85 ? 43 ILE F C 1 +ATOM 17313 O O . ILE F 6 42 ? 6.733 -67.475 -69.463 1.00 67.98 ? 43 ILE F O 1 +ATOM 17314 C CB . ILE F 6 42 ? 4.162 -68.358 -67.870 1.00 69.36 ? 43 ILE F CB 1 +ATOM 17315 C CG1 . ILE F 6 42 ? 3.507 -69.361 -66.911 1.00 66.12 ? 43 ILE F CG1 1 +ATOM 17316 C CG2 . ILE F 6 42 ? 3.109 -67.526 -68.582 1.00 49.30 ? 43 ILE F CG2 1 +ATOM 17317 C CD1 . ILE F 6 42 ? 2.594 -68.702 -65.873 1.00 67.61 ? 43 ILE F CD1 1 +ATOM 17318 N N . GLN F 6 43 ? 5.230 -68.019 -71.054 1.00 66.48 ? 44 GLN F N 1 +ATOM 17319 C CA . GLN F 6 43 ? 5.691 -67.084 -72.066 1.00 62.15 ? 44 GLN F CA 1 +ATOM 17320 C C . GLN F 6 43 ? 4.626 -66.020 -72.289 1.00 69.58 ? 44 GLN F C 1 +ATOM 17321 O O . GLN F 6 43 ? 3.429 -66.271 -72.115 1.00 64.60 ? 44 GLN F O 1 +ATOM 17322 C CB . GLN F 6 43 ? 5.974 -67.802 -73.392 1.00 68.97 ? 44 GLN F CB 1 +ATOM 17323 C CG . GLN F 6 43 ? 7.076 -68.840 -73.331 1.00 76.27 ? 44 GLN F CG 1 +ATOM 17324 C CD . GLN F 6 43 ? 8.460 -68.217 -73.333 1.00 95.00 ? 44 GLN F CD 1 +ATOM 17325 O OE1 . GLN F 6 43 ? 8.627 -67.017 -73.604 1.00 97.93 ? 44 GLN F OE1 1 +ATOM 17326 N NE2 . GLN F 6 43 ? 9.467 -69.028 -73.030 1.00 102.77 ? 44 GLN F NE2 1 +ATOM 17327 N N . ARG F 6 44 ? 5.062 -64.825 -72.666 1.00 54.02 ? 45 ARG F N 1 +ATOM 17328 C CA . ARG F 6 44 ? 4.088 -63.812 -73.019 1.00 57.95 ? 45 ARG F CA 1 +ATOM 17329 C C . ARG F 6 44 ? 3.629 -64.114 -74.439 1.00 63.05 ? 45 ARG F C 1 +ATOM 17330 O O . ARG F 6 44 ? 2.505 -63.802 -74.832 1.00 66.20 ? 45 ARG F O 1 +ATOM 17331 C CB . ARG F 6 44 ? 4.671 -62.403 -72.907 1.00 65.95 ? 45 ARG F CB 1 +ATOM 17332 C CG . ARG F 6 44 ? 5.737 -62.077 -73.941 1.00 57.80 ? 45 ARG F CG 1 +ATOM 17333 C CD . ARG F 6 44 ? 6.390 -60.751 -73.619 1.00 61.54 ? 45 ARG F CD 1 +ATOM 17334 N NE . ARG F 6 44 ? 7.341 -60.349 -74.646 1.00 53.31 ? 45 ARG F NE 1 +ATOM 17335 C CZ . ARG F 6 44 ? 7.002 -59.722 -75.760 1.00 53.25 ? 45 ARG F CZ 1 +ATOM 17336 N NH1 . ARG F 6 44 ? 5.741 -59.426 -76.024 1.00 56.55 ? 45 ARG F NH1 1 +ATOM 17337 N NH2 . ARG F 6 44 ? 7.952 -59.367 -76.621 1.00 59.68 ? 45 ARG F NH2 1 +ATOM 17338 O OXT . ARG F 6 44 ? 4.382 -64.699 -75.226 1.00 62.82 ? 45 ARG F OXT 1 +ATOM 17339 N N . ALA G 7 1 ? -6.126 -40.883 13.712 1.00 87.98 ? 2 ALA H N 1 +ATOM 17340 C CA . ALA G 7 1 ? -6.665 -40.154 12.577 1.00 61.51 ? 2 ALA H CA 1 +ATOM 17341 C C . ALA G 7 1 ? -7.697 -39.137 13.071 1.00 72.67 ? 2 ALA H C 1 +ATOM 17342 O O . ALA G 7 1 ? -8.213 -39.254 14.167 1.00 71.92 ? 2 ALA H O 1 +ATOM 17343 C CB . ALA G 7 1 ? -7.274 -41.113 11.578 1.00 58.41 ? 2 ALA H CB 1 +ATOM 17344 N N . ARG G 7 2 ? -8.001 -38.139 12.253 1.00 61.70 ? 3 ARG H N 1 +ATOM 17345 C CA . ARG G 7 2 ? -8.832 -37.022 12.662 1.00 56.98 ? 3 ARG H CA 1 +ATOM 17346 C C . ARG G 7 2 ? -10.262 -37.246 12.185 1.00 66.07 ? 3 ARG H C 1 +ATOM 17347 O O . ARG G 7 2 ? -10.495 -37.546 11.010 1.00 61.10 ? 3 ARG H O 1 +ATOM 17348 C CB . ARG G 7 2 ? -8.266 -35.719 12.102 1.00 64.33 ? 3 ARG H CB 1 +ATOM 17349 C CG . ARG G 7 2 ? -9.033 -34.478 12.487 1.00 79.92 ? 3 ARG H CG 1 +ATOM 17350 C CD . ARG G 7 2 ? -8.370 -33.247 11.885 1.00 96.44 ? 3 ARG H CD 1 +ATOM 17351 N NE . ARG G 7 2 ? -6.911 -33.343 11.907 1.00 107.68 ? 3 ARG H NE 1 +ATOM 17352 C CZ . ARG G 7 2 ? -6.124 -32.640 12.712 1.00 114.02 ? 3 ARG H CZ 1 +ATOM 17353 N NH1 . ARG G 7 2 ? -4.808 -32.808 12.714 1.00 92.06 ? 3 ARG H NH1 1 +ATOM 17354 N NH2 . ARG G 7 2 ? -6.670 -31.740 13.529 1.00 85.91 ? 3 ARG H NH2 1 +ATOM 17355 N N . ARG G 7 3 ? -11.212 -37.127 13.103 1.00 64.61 ? 4 ARG H N 1 +ATOM 17356 C CA . ARG G 7 3 ? -12.615 -37.268 12.763 1.00 52.88 ? 4 ARG H CA 1 +ATOM 17357 C C . ARG G 7 3 ? -13.187 -35.902 12.449 1.00 55.18 ? 4 ARG H C 1 +ATOM 17358 O O . ARG G 7 3 ? -12.769 -34.897 13.025 1.00 58.21 ? 4 ARG H O 1 +ATOM 17359 C CB . ARG G 7 3 ? -13.393 -37.927 13.905 1.00 55.89 ? 4 ARG H CB 1 +ATOM 17360 C CG . ARG G 7 3 ? -13.132 -39.422 14.027 1.00 69.45 ? 4 ARG H CG 1 +ATOM 17361 C CD . ARG G 7 3 ? -13.940 -40.030 15.151 1.00 82.55 ? 4 ARG H CD 1 +ATOM 17362 N NE . ARG G 7 3 ? -15.373 -39.849 14.957 1.00 89.20 ? 4 ARG H NE 1 +ATOM 17363 C CZ . ARG G 7 3 ? -16.264 -39.880 15.940 1.00 104.20 ? 4 ARG H CZ 1 +ATOM 17364 N NH1 . ARG G 7 3 ? -15.897 -40.077 17.197 1.00 104.28 ? 4 ARG H NH1 1 +ATOM 17365 N NH2 . ARG G 7 3 ? -17.552 -39.698 15.656 1.00 75.50 ? 4 ARG H NH2 1 +ATOM 17366 N N . THR G 7 4 ? -14.104 -35.862 11.488 1.00 56.81 ? 5 THR H N 1 +ATOM 17367 C CA . THR G 7 4 ? -14.824 -34.644 11.163 1.00 55.32 ? 5 THR H CA 1 +ATOM 17368 C C . THR G 7 4 ? -16.279 -35.017 10.947 1.00 52.14 ? 5 THR H C 1 +ATOM 17369 O O . THR G 7 4 ? -16.613 -36.176 10.678 1.00 56.56 ? 5 THR H O 1 +ATOM 17370 C CB . THR G 7 4 ? -14.265 -33.910 9.907 1.00 73.68 ? 5 THR H CB 1 +ATOM 17371 O OG1 . THR G 7 4 ? -14.748 -34.531 8.704 1.00 66.20 ? 5 THR H OG1 1 +ATOM 17372 C CG2 . THR G 7 4 ? -12.727 -33.900 9.882 1.00 57.55 ? 5 THR H CG2 1 +ATOM 17373 N N . TRP G 7 5 ? -17.137 -34.007 11.061 1.00 60.16 ? 6 TRP H N 1 +ATOM 17374 C CA . TRP G 7 5 ? -18.565 -34.188 10.833 1.00 55.07 ? 6 TRP H CA 1 +ATOM 17375 C C . TRP G 7 5 ? -18.832 -34.806 9.463 1.00 58.29 ? 6 TRP H C 1 +ATOM 17376 O O . TRP G 7 5 ? -19.622 -35.748 9.337 1.00 68.99 ? 6 TRP H O 1 +ATOM 17377 C CB . TRP G 7 5 ? -19.270 -32.834 11.001 1.00 63.74 ? 6 TRP H CB 1 +ATOM 17378 C CG . TRP G 7 5 ? -20.576 -32.739 10.279 1.00 91.46 ? 6 TRP H CG 1 +ATOM 17379 C CD1 . TRP G 7 5 ? -21.770 -33.295 10.658 1.00 85.79 ? 6 TRP H CD1 1 +ATOM 17380 C CD2 . TRP G 7 5 ? -20.826 -32.052 9.044 1.00 87.28 ? 6 TRP H CD2 1 +ATOM 17381 N NE1 . TRP G 7 5 ? -22.745 -32.995 9.731 1.00 110.77 ? 6 TRP H NE1 1 +ATOM 17382 C CE2 . TRP G 7 5 ? -22.191 -32.237 8.731 1.00 101.15 ? 6 TRP H CE2 1 +ATOM 17383 C CE3 . TRP G 7 5 ? -20.029 -31.300 8.173 1.00 106.57 ? 6 TRP H CE3 1 +ATOM 17384 C CZ2 . TRP G 7 5 ? -22.779 -31.695 7.585 1.00 106.96 ? 6 TRP H CZ2 1 +ATOM 17385 C CZ3 . TRP G 7 5 ? -20.616 -30.757 7.027 1.00 114.78 ? 6 TRP H CZ3 1 +ATOM 17386 C CH2 . TRP G 7 5 ? -21.979 -30.960 6.747 1.00 106.49 ? 6 TRP H CH2 1 +ATOM 17387 N N . LEU G 7 6 ? -18.152 -34.314 8.423 1.00 61.03 ? 7 LEU H N 1 +ATOM 17388 C CA . LEU G 7 6 ? -18.387 -34.858 7.084 1.00 57.56 ? 7 LEU H CA 1 +ATOM 17389 C C . LEU G 7 6 ? -17.760 -36.239 6.933 1.00 56.73 ? 7 LEU H C 1 +ATOM 17390 O O . LEU G 7 6 ? -18.341 -37.129 6.294 1.00 56.52 ? 7 LEU H O 1 +ATOM 17391 C CB . LEU G 7 6 ? -17.852 -33.894 6.020 1.00 65.97 ? 7 LEU H CB 1 +ATOM 17392 C CG . LEU G 7 6 ? -18.094 -34.261 4.553 1.00 76.32 ? 7 LEU H CG 1 +ATOM 17393 C CD1 . LEU G 7 6 ? -19.548 -34.043 4.160 1.00 64.65 ? 7 LEU H CD1 1 +ATOM 17394 C CD2 . LEU G 7 6 ? -17.161 -33.470 3.662 1.00 64.67 ? 7 LEU H CD2 1 +ATOM 17395 N N . GLY G 7 7 ? -16.581 -36.450 7.522 1.00 58.03 ? 8 GLY H N 1 +ATOM 17396 C CA . GLY G 7 7 ? -16.020 -37.789 7.536 1.00 62.08 ? 8 GLY H CA 1 +ATOM 17397 C C . GLY G 7 7 ? -16.951 -38.814 8.169 1.00 67.77 ? 8 GLY H C 1 +ATOM 17398 O O . GLY G 7 7 ? -17.106 -39.924 7.650 1.00 65.50 ? 8 GLY H O 1 +ATOM 17399 N N . ASP G 7 8 ? -17.584 -38.458 9.297 1.00 64.33 ? 9 ASP H N 1 +ATOM 17400 C CA . ASP G 7 8 ? -18.505 -39.390 9.954 1.00 63.17 ? 9 ASP H CA 1 +ATOM 17401 C C . ASP G 7 8 ? -19.694 -39.697 9.062 1.00 61.15 ? 9 ASP H C 1 +ATOM 17402 O O . ASP G 7 8 ? -20.195 -40.825 9.056 1.00 62.08 ? 9 ASP H O 1 +ATOM 17403 C CB . ASP G 7 8 ? -19.028 -38.834 11.287 1.00 56.75 ? 9 ASP H CB 1 +ATOM 17404 C CG . ASP G 7 8 ? -17.946 -38.582 12.308 1.00 57.32 ? 9 ASP H CG 1 +ATOM 17405 O OD1 . ASP G 7 8 ? -16.860 -39.185 12.241 1.00 67.28 ? 9 ASP H OD1 1 +ATOM 17406 O OD2 . ASP G 7 8 ? -18.210 -37.777 13.220 1.00 71.43 ? 9 ASP H OD2 1 +ATOM 17407 N N . ILE G 7 9 ? -20.186 -38.694 8.330 1.00 59.59 ? 10 ILE H N 1 +ATOM 17408 C CA . ILE G 7 9 ? -21.316 -38.919 7.427 1.00 61.76 ? 10 ILE H CA 1 +ATOM 17409 C C . ILE G 7 9 ? -20.924 -39.866 6.303 1.00 64.96 ? 10 ILE H C 1 +ATOM 17410 O O . ILE G 7 9 ? -21.729 -40.687 5.847 1.00 69.64 ? 10 ILE H O 1 +ATOM 17411 C CB . ILE G 7 9 ? -21.824 -37.576 6.870 1.00 76.17 ? 10 ILE H CB 1 +ATOM 17412 C CG1 . ILE G 7 9 ? -22.496 -36.753 7.963 1.00 81.09 ? 10 ILE H CG1 1 +ATOM 17413 C CG2 . ILE G 7 9 ? -22.767 -37.797 5.718 1.00 75.25 ? 10 ILE H CG2 1 +ATOM 17414 C CD1 . ILE G 7 9 ? -22.878 -35.377 7.481 1.00 86.91 ? 10 ILE H CD1 1 +ATOM 17415 N N . LEU G 7 10 ? -19.696 -39.762 5.819 1.00 58.05 ? 11 LEU H N 1 +ATOM 17416 C CA . LEU G 7 10 ? -19.318 -40.558 4.661 1.00 58.55 ? 11 LEU H CA 1 +ATOM 17417 C C . LEU G 7 10 ? -18.723 -41.902 5.032 1.00 56.13 ? 11 LEU H C 1 +ATOM 17418 O O . LEU G 7 10 ? -18.517 -42.725 4.135 1.00 56.28 ? 11 LEU H O 1 +ATOM 17419 C CB . LEU G 7 10 ? -18.325 -39.787 3.793 1.00 52.38 ? 11 LEU H CB 1 +ATOM 17420 C CG . LEU G 7 10 ? -18.917 -38.526 3.142 1.00 68.33 ? 11 LEU H CG 1 +ATOM 17421 C CD1 . LEU G 7 10 ? -17.821 -37.673 2.530 1.00 55.34 ? 11 LEU H CD1 1 +ATOM 17422 C CD2 . LEU G 7 10 ? -19.978 -38.863 2.107 1.00 59.36 ? 11 LEU H CD2 1 +ATOM 17423 N N . ARG G 7 11 ? -18.453 -42.135 6.329 1.00 61.07 ? 12 ARG H N 1 +ATOM 17424 C CA . ARG G 7 11 ? -17.829 -43.373 6.808 1.00 61.81 ? 12 ARG H CA 1 +ATOM 17425 C C . ARG G 7 11 ? -18.368 -44.639 6.159 1.00 60.82 ? 12 ARG H C 1 +ATOM 17426 O O . ARG G 7 11 ? -17.555 -45.453 5.701 1.00 66.38 ? 12 ARG H O 1 +ATOM 17427 C CB . ARG G 7 11 ? -18.004 -43.465 8.331 1.00 73.72 ? 12 ARG H CB 1 +ATOM 17428 C CG . ARG G 7 11 ? -16.717 -43.629 9.120 1.00 97.70 ? 12 ARG H CG 1 +ATOM 17429 C CD . ARG G 7 11 ? -16.206 -45.038 9.093 1.00 67.55 ? 12 ARG H CD 1 +ATOM 17430 N NE . ARG G 7 11 ? -15.447 -45.306 7.876 1.00 99.35 ? 12 ARG H NE 1 +ATOM 17431 C CZ . ARG G 7 11 ? -14.126 -45.207 7.765 1.00 83.87 ? 12 ARG H CZ 1 +ATOM 17432 N NH1 . ARG G 7 11 ? -13.365 -44.840 8.790 1.00 61.36 ? 12 ARG H NH1 1 +ATOM 17433 N NH2 . ARG G 7 11 ? -13.554 -45.483 6.592 1.00 64.06 ? 12 ARG H NH2 1 +ATOM 17434 N N . PRO G 7 12 ? -19.683 -44.879 6.088 1.00 74.02 ? 13 PRO H N 1 +ATOM 17435 C CA . PRO G 7 12 ? -20.154 -46.146 5.492 1.00 63.20 ? 13 PRO H CA 1 +ATOM 17436 C C . PRO G 7 12 ? -19.714 -46.342 4.059 1.00 62.85 ? 13 PRO H C 1 +ATOM 17437 O O . PRO G 7 12 ? -19.526 -47.489 3.617 1.00 67.08 ? 13 PRO H O 1 +ATOM 17438 C CB . PRO G 7 12 ? -21.682 -46.028 5.597 1.00 56.99 ? 13 PRO H CB 1 +ATOM 17439 C CG . PRO G 7 12 ? -21.894 -45.108 6.757 1.00 71.27 ? 13 PRO H CG 1 +ATOM 17440 C CD . PRO G 7 12 ? -20.805 -44.088 6.637 1.00 54.95 ? 13 PRO H CD 1 +ATOM 17441 N N . LEU G 7 13 ? -19.538 -45.258 3.309 1.00 64.66 ? 14 LEU H N 1 +ATOM 17442 C CA . LEU G 7 13 ? -19.204 -45.391 1.900 1.00 53.37 ? 14 LEU H CA 1 +ATOM 17443 C C . LEU G 7 13 ? -17.771 -45.834 1.685 1.00 60.80 ? 14 LEU H C 1 +ATOM 17444 O O . LEU G 7 13 ? -17.428 -46.190 0.559 1.00 57.16 ? 14 LEU H O 1 +ATOM 17445 C CB . LEU G 7 13 ? -19.460 -44.077 1.182 1.00 66.98 ? 14 LEU H CB 1 +ATOM 17446 C CG . LEU G 7 13 ? -20.922 -43.649 1.166 1.00 66.11 ? 14 LEU H CG 1 +ATOM 17447 C CD1 . LEU G 7 13 ? -21.054 -42.291 0.466 1.00 58.26 ? 14 LEU H CD1 1 +ATOM 17448 C CD2 . LEU G 7 13 ? -21.750 -44.740 0.473 1.00 59.75 ? 14 LEU H CD2 1 +ATOM 17449 N N . ASN G 7 14 ? -16.931 -45.828 2.722 1.00 56.84 ? 15 ASN H N 1 +ATOM 17450 C CA . ASN G 7 14 ? -15.569 -46.329 2.579 1.00 66.20 ? 15 ASN H CA 1 +ATOM 17451 C C . ASN G 7 14 ? -15.258 -47.360 3.650 1.00 64.84 ? 15 ASN H C 1 +ATOM 17452 O O . ASN G 7 14 ? -14.233 -47.286 4.331 1.00 65.62 ? 15 ASN H O 1 +ATOM 17453 C CB . ASN G 7 14 ? -14.538 -45.208 2.648 1.00 54.79 ? 15 ASN H CB 1 +ATOM 17454 C CG . ASN G 7 14 ? -13.165 -45.659 2.155 1.00 51.18 ? 15 ASN H CG 1 +ATOM 17455 O OD1 . ASN G 7 14 ? -13.068 -46.439 1.206 1.00 58.07 ? 15 ASN H OD1 1 +ATOM 17456 N ND2 . ASN G 7 14 ? -12.105 -45.190 2.805 1.00 51.34 ? 15 ASN H ND2 1 +ATOM 17457 N N . SER G 7 15 ? -16.130 -48.361 3.806 1.00 59.70 ? 16 SER H N 1 +ATOM 17458 C CA . SER G 7 15 ? -16.003 -49.304 4.911 1.00 59.79 ? 16 SER H CA 1 +ATOM 17459 C C . SER G 7 15 ? -15.904 -50.755 4.479 1.00 66.67 ? 16 SER H C 1 +ATOM 17460 O O . SER G 7 15 ? -15.650 -51.614 5.332 1.00 62.02 ? 16 SER H O 1 +ATOM 17461 C CB . SER G 7 15 ? -17.188 -49.162 5.881 1.00 66.31 ? 16 SER H CB 1 +ATOM 17462 O OG . SER G 7 15 ? -18.399 -49.526 5.236 1.00 70.71 ? 16 SER H OG 1 +ATOM 17463 N N . GLU G 7 16 ? -16.062 -51.056 3.193 1.00 63.64 ? 17 GLU H N 1 +ATOM 17464 C CA . GLU G 7 16 ? -16.085 -52.430 2.720 1.00 61.57 ? 17 GLU H CA 1 +ATOM 17465 C C . GLU G 7 16 ? -14.865 -52.787 1.882 1.00 56.59 ? 17 GLU H C 1 +ATOM 17466 O O . GLU G 7 16 ? -14.950 -53.636 0.994 1.00 56.27 ? 17 GLU H O 1 +ATOM 17467 C CB . GLU G 7 16 ? -17.372 -52.680 1.948 1.00 60.38 ? 17 GLU H CB 1 +ATOM 17468 C CG . GLU G 7 16 ? -18.590 -52.340 2.803 1.00 75.36 ? 17 GLU H CG 1 +ATOM 17469 C CD . GLU G 7 16 ? -19.875 -52.845 2.203 1.00 82.22 ? 17 GLU H CD 1 +ATOM 17470 O OE1 . GLU G 7 16 ? -20.370 -52.225 1.235 1.00 80.99 ? 17 GLU H OE1 1 +ATOM 17471 O OE2 . GLU G 7 16 ? -20.379 -53.879 2.694 1.00 115.25 ? 17 GLU H OE2 1 +ATOM 17472 N N . TYR G 7 17 ? -13.723 -52.160 2.166 1.00 59.13 ? 18 TYR H N 1 +ATOM 17473 C CA . TYR G 7 17 ? -12.489 -52.545 1.491 1.00 66.05 ? 18 TYR H CA 1 +ATOM 17474 C C . TYR G 7 17 ? -12.344 -54.052 1.492 1.00 61.30 ? 18 TYR H C 1 +ATOM 17475 O O . TYR G 7 17 ? -12.425 -54.685 2.546 1.00 64.97 ? 18 TYR H O 1 +ATOM 17476 C CB . TYR G 7 17 ? -11.268 -51.911 2.166 1.00 59.28 ? 18 TYR H CB 1 +ATOM 17477 C CG . TYR G 7 17 ? -9.979 -52.257 1.444 1.00 66.59 ? 18 TYR H CG 1 +ATOM 17478 C CD1 . TYR G 7 17 ? -9.683 -51.681 0.218 1.00 63.40 ? 18 TYR H CD1 1 +ATOM 17479 C CD2 . TYR G 7 17 ? -9.063 -53.156 1.980 1.00 64.49 ? 18 TYR H CD2 1 +ATOM 17480 C CE1 . TYR G 7 17 ? -8.510 -51.989 -0.464 1.00 69.78 ? 18 TYR H CE1 1 +ATOM 17481 C CE2 . TYR G 7 17 ? -7.888 -53.474 1.306 1.00 55.83 ? 18 TYR H CE2 1 +ATOM 17482 C CZ . TYR G 7 17 ? -7.618 -52.883 0.082 1.00 77.09 ? 18 TYR H CZ 1 +ATOM 17483 O OH . TYR G 7 17 ? -6.456 -53.162 -0.614 1.00 68.38 ? 18 TYR H OH 1 +ATOM 17484 N N . GLY G 7 18 ? -12.161 -54.629 0.310 1.00 55.21 ? 19 GLY H N 1 +ATOM 17485 C CA . GLY G 7 18 ? -11.840 -56.031 0.201 1.00 57.65 ? 19 GLY H CA 1 +ATOM 17486 C C . GLY G 7 18 ? -13.021 -56.972 0.135 1.00 62.73 ? 19 GLY H C 1 +ATOM 17487 O O . GLY G 7 18 ? -12.821 -58.160 -0.124 1.00 61.92 ? 19 GLY H O 1 +ATOM 17488 N N . LYS G 7 19 ? -14.240 -56.488 0.341 1.00 66.80 ? 20 LYS H N 1 +ATOM 17489 C CA . LYS G 7 19 ? -15.408 -57.358 0.312 1.00 58.42 ? 20 LYS H CA 1 +ATOM 17490 C C . LYS G 7 19 ? -15.697 -57.814 -1.116 1.00 67.82 ? 20 LYS H C 1 +ATOM 17491 O O . LYS G 7 19 ? -15.885 -56.984 -2.013 1.00 67.16 ? 20 LYS H O 1 +ATOM 17492 C CB . LYS G 7 19 ? -16.615 -56.627 0.904 1.00 69.86 ? 20 LYS H CB 1 +ATOM 17493 C CG . LYS G 7 19 ? -17.856 -57.507 1.050 1.00 84.52 ? 20 LYS H CG 1 +ATOM 17494 C CD . LYS G 7 19 ? -18.718 -57.092 2.245 1.00 97.53 ? 20 LYS H CD 1 +ATOM 17495 C CE . LYS G 7 19 ? -19.705 -58.213 2.642 1.00 142.79 ? 20 LYS H CE 1 +ATOM 17496 N NZ . LYS G 7 19 ? -19.059 -59.478 3.172 1.00 117.02 ? 20 LYS H NZ 1 +ATOM 17497 N N . VAL G 7 20 ? -15.732 -59.134 -1.331 1.00 61.05 ? 21 VAL H N 1 +ATOM 17498 C CA . VAL G 7 20 ? -16.025 -59.717 -2.638 1.00 60.90 ? 21 VAL H CA 1 +ATOM 17499 C C . VAL G 7 20 ? -17.264 -60.600 -2.546 1.00 58.25 ? 21 VAL H C 1 +ATOM 17500 O O . VAL G 7 20 ? -17.696 -61.015 -1.469 1.00 65.77 ? 21 VAL H O 1 +ATOM 17501 C CB . VAL G 7 20 ? -14.849 -60.546 -3.187 1.00 60.85 ? 21 VAL H CB 1 +ATOM 17502 C CG1 . VAL G 7 20 ? -13.694 -59.651 -3.569 1.00 59.02 ? 21 VAL H CG1 1 +ATOM 17503 C CG2 . VAL G 7 20 ? -14.408 -61.578 -2.149 1.00 57.77 ? 21 VAL H CG2 1 +ATOM 17504 N N . ALA G 7 21 ? -17.827 -60.889 -3.706 1.00 70.48 ? 22 ALA H N 1 +ATOM 17505 C CA . ALA G 7 21 ? -18.798 -61.936 -3.980 1.00 63.63 ? 22 ALA H CA 1 +ATOM 17506 C C . ALA G 7 21 ? -18.074 -63.248 -4.283 1.00 82.64 ? 22 ALA H C 1 +ATOM 17507 O O . ALA G 7 21 ? -17.031 -63.245 -4.947 1.00 72.84 ? 22 ALA H O 1 +ATOM 17508 C CB . ALA G 7 21 ? -19.685 -61.555 -5.152 1.00 57.29 ? 22 ALA H CB 1 +ATOM 17509 N N . PRO G 7 22 ? -18.602 -64.374 -3.799 1.00 87.69 ? 23 PRO H N 1 +ATOM 17510 C CA . PRO G 7 22 ? -17.920 -65.660 -4.003 1.00 71.32 ? 23 PRO H CA 1 +ATOM 17511 C C . PRO G 7 22 ? -17.814 -66.016 -5.474 1.00 54.35 ? 23 PRO H C 1 +ATOM 17512 O O . PRO G 7 22 ? -18.713 -65.740 -6.268 1.00 63.33 ? 23 PRO H O 1 +ATOM 17513 C CB . PRO G 7 22 ? -18.813 -66.665 -3.255 1.00 64.51 ? 23 PRO H CB 1 +ATOM 17514 C CG . PRO G 7 22 ? -19.613 -65.844 -2.306 1.00 80.35 ? 23 PRO H CG 1 +ATOM 17515 C CD . PRO G 7 22 ? -19.797 -64.496 -2.946 1.00 73.53 ? 23 PRO H CD 1 +ATOM 17516 N N . GLY G 7 23 ? -16.695 -66.643 -5.821 1.00 63.06 ? 24 GLY H N 1 +ATOM 17517 C CA . GLY G 7 23 ? -16.554 -67.281 -7.121 1.00 58.22 ? 24 GLY H CA 1 +ATOM 17518 C C . GLY G 7 23 ? -16.612 -66.319 -8.297 1.00 76.97 ? 24 GLY H C 1 +ATOM 17519 O O . GLY G 7 23 ? -16.013 -65.234 -8.293 1.00 72.33 ? 24 GLY H O 1 +ATOM 17520 N N . TRP G 7 24 ? -17.336 -66.743 -9.337 1.00 66.27 ? 25 TRP H N 1 +ATOM 17521 C CA . TRP G 7 24 ? -17.490 -65.988 -10.569 1.00 57.06 ? 25 TRP H CA 1 +ATOM 17522 C C . TRP G 7 24 ? -18.542 -64.890 -10.458 1.00 63.12 ? 25 TRP H C 1 +ATOM 17523 O O . TRP G 7 24 ? -18.551 -63.973 -11.285 1.00 64.42 ? 25 TRP H O 1 +ATOM 17524 C CB . TRP G 7 24 ? -17.846 -66.939 -11.715 1.00 53.95 ? 25 TRP H CB 1 +ATOM 17525 C CG . TRP G 7 24 ? -16.710 -67.828 -12.132 1.00 66.04 ? 25 TRP H CG 1 +ATOM 17526 C CD1 . TRP G 7 24 ? -16.506 -69.132 -11.772 1.00 61.61 ? 25 TRP H CD1 1 +ATOM 17527 C CD2 . TRP G 7 24 ? -15.621 -67.479 -12.991 1.00 74.87 ? 25 TRP H CD2 1 +ATOM 17528 N NE1 . TRP G 7 24 ? -15.358 -69.609 -12.347 1.00 66.10 ? 25 TRP H NE1 1 +ATOM 17529 C CE2 . TRP G 7 24 ? -14.801 -68.620 -13.114 1.00 78.96 ? 25 TRP H CE2 1 +ATOM 17530 C CE3 . TRP G 7 24 ? -15.267 -66.320 -13.681 1.00 70.28 ? 25 TRP H CE3 1 +ATOM 17531 C CZ2 . TRP G 7 24 ? -13.637 -68.626 -13.889 1.00 79.42 ? 25 TRP H CZ2 1 +ATOM 17532 C CZ3 . TRP G 7 24 ? -14.108 -66.329 -14.449 1.00 83.53 ? 25 TRP H CZ3 1 +ATOM 17533 C CH2 . TRP G 7 24 ? -13.311 -67.474 -14.547 1.00 68.64 ? 25 TRP H CH2 1 +ATOM 17534 N N . GLY G 7 25 ? -19.413 -64.954 -9.456 1.00 64.76 ? 26 GLY H N 1 +ATOM 17535 C CA . GLY G 7 25 ? -20.404 -63.909 -9.273 1.00 49.38 ? 26 GLY H CA 1 +ATOM 17536 C C . GLY G 7 25 ? -21.141 -63.607 -10.556 1.00 64.10 ? 26 GLY H C 1 +ATOM 17537 O O . GLY G 7 25 ? -21.639 -64.501 -11.237 1.00 70.59 ? 26 GLY H O 1 +ATOM 17538 N N . THR G 7 26 ? -21.178 -62.327 -10.919 1.00 63.92 ? 27 THR H N 1 +ATOM 17539 C CA . THR G 7 26 ? -21.944 -61.844 -12.053 1.00 55.98 ? 27 THR H CA 1 +ATOM 17540 C C . THR G 7 26 ? -21.131 -61.780 -13.337 1.00 63.26 ? 27 THR H C 1 +ATOM 17541 O O . THR G 7 26 ? -21.601 -61.200 -14.322 1.00 63.32 ? 27 THR H O 1 +ATOM 17542 C CB . THR G 7 26 ? -22.524 -60.466 -11.734 1.00 71.74 ? 27 THR H CB 1 +ATOM 17543 O OG1 . THR G 7 26 ? -21.535 -59.657 -11.071 1.00 62.03 ? 27 THR H OG1 1 +ATOM 17544 C CG2 . THR G 7 26 ? -23.723 -60.613 -10.826 1.00 61.52 ? 27 THR H CG2 1 +ATOM 17545 N N . THR G 7 27 ? -19.938 -62.376 -13.356 1.00 60.39 ? 28 THR H N 1 +ATOM 17546 C CA . THR G 7 27 ? -19.121 -62.393 -14.568 1.00 53.93 ? 28 THR H CA 1 +ATOM 17547 C C . THR G 7 27 ? -19.863 -62.820 -15.820 1.00 61.16 ? 28 THR H C 1 +ATOM 17548 O O . THR G 7 27 ? -19.650 -62.190 -16.866 1.00 70.95 ? 28 THR H O 1 +ATOM 17549 C CB . THR G 7 27 ? -17.899 -63.303 -14.363 1.00 58.66 ? 28 THR H CB 1 +ATOM 17550 O OG1 . THR G 7 27 ? -17.203 -62.901 -13.172 1.00 59.75 ? 28 THR H OG1 1 +ATOM 17551 C CG2 . THR G 7 27 ? -16.963 -63.215 -15.562 1.00 51.52 ? 28 THR H CG2 1 +ATOM 17552 N N . PRO G 7 28 ? -20.693 -63.869 -15.827 1.00 78.59 ? 29 PRO H N 1 +ATOM 17553 C CA . PRO G 7 28 ? -21.317 -64.252 -17.105 1.00 78.58 ? 29 PRO H CA 1 +ATOM 17554 C C . PRO G 7 28 ? -22.267 -63.198 -17.611 1.00 64.22 ? 29 PRO H C 1 +ATOM 17555 O O . PRO G 7 28 ? -22.366 -62.996 -18.826 1.00 60.96 ? 29 PRO H O 1 +ATOM 17556 C CB . PRO G 7 28 ? -22.039 -65.566 -16.769 1.00 81.03 ? 29 PRO H CB 1 +ATOM 17557 C CG . PRO G 7 28 ? -21.311 -66.090 -15.573 1.00 72.67 ? 29 PRO H CG 1 +ATOM 17558 C CD . PRO G 7 28 ? -20.967 -64.871 -14.779 1.00 70.41 ? 29 PRO H CD 1 +ATOM 17559 N N . LEU G 7 29 ? -22.965 -62.514 -16.706 1.00 55.10 ? 30 LEU H N 1 +ATOM 17560 C CA . LEU G 7 29 ? -23.794 -61.395 -17.122 1.00 69.52 ? 30 LEU H CA 1 +ATOM 17561 C C . LEU G 7 29 ? -22.931 -60.259 -17.671 1.00 72.68 ? 30 LEU H C 1 +ATOM 17562 O O . LEU G 7 29 ? -23.269 -59.650 -18.693 1.00 69.04 ? 30 LEU H O 1 +ATOM 17563 C CB . LEU G 7 29 ? -24.651 -60.929 -15.948 1.00 63.92 ? 30 LEU H CB 1 +ATOM 17564 C CG . LEU G 7 29 ? -25.659 -59.836 -16.298 1.00 81.82 ? 30 LEU H CG 1 +ATOM 17565 C CD1 . LEU G 7 29 ? -26.713 -60.374 -17.245 1.00 69.93 ? 30 LEU H CD1 1 +ATOM 17566 C CD2 . LEU G 7 29 ? -26.302 -59.258 -15.037 1.00 86.49 ? 30 LEU H CD2 1 +ATOM 17567 N N . MET G 7 30 ? -21.795 -59.984 -17.016 1.00 57.46 ? 31 MET H N 1 +ATOM 17568 C CA . MET G 7 30 ? -20.832 -59.018 -17.534 1.00 66.43 ? 31 MET H CA 1 +ATOM 17569 C C . MET G 7 30 ? -20.416 -59.346 -18.957 1.00 64.25 ? 31 MET H C 1 +ATOM 17570 O O . MET G 7 30 ? -20.327 -58.452 -19.802 1.00 54.90 ? 31 MET H O 1 +ATOM 17571 C CB . MET G 7 30 ? -19.585 -58.964 -16.652 1.00 65.41 ? 31 MET H CB 1 +ATOM 17572 C CG . MET G 7 30 ? -18.622 -57.830 -17.039 1.00 56.15 ? 31 MET H CG 1 +ATOM 17573 S SD . MET G 7 30 ? -17.093 -57.874 -16.093 1.00 59.06 ? 31 MET H SD 1 +ATOM 17574 C CE . MET G 7 30 ? -16.239 -59.186 -16.953 1.00 54.02 ? 31 MET H CE 1 +ATOM 17575 N N . ALA G 7 31 ? -20.131 -60.624 -19.233 1.00 62.27 ? 32 ALA H N 1 +ATOM 17576 C CA . ALA G 7 31 ? -19.665 -61.007 -20.560 1.00 58.57 ? 32 ALA H CA 1 +ATOM 17577 C C . ALA G 7 31 ? -20.726 -60.734 -21.617 1.00 63.85 ? 32 ALA H C 1 +ATOM 17578 O O . ALA G 7 31 ? -20.398 -60.373 -22.755 1.00 59.42 ? 32 ALA H O 1 +ATOM 17579 C CB . ALA G 7 31 ? -19.254 -62.486 -20.572 1.00 55.25 ? 32 ALA H CB 1 +ATOM 17580 N N . VAL G 7 32 ? -22.000 -60.868 -21.251 1.00 63.29 ? 33 VAL H N 1 +ATOM 17581 C CA . VAL G 7 32 ? -23.064 -60.611 -22.212 1.00 63.29 ? 33 VAL H CA 1 +ATOM 17582 C C . VAL G 7 32 ? -23.113 -59.131 -22.567 1.00 59.77 ? 33 VAL H C 1 +ATOM 17583 O O . VAL G 7 32 ? -23.257 -58.769 -23.736 1.00 61.78 ? 33 VAL H O 1 +ATOM 17584 C CB . VAL G 7 32 ? -24.407 -61.119 -21.658 1.00 67.49 ? 33 VAL H CB 1 +ATOM 17585 C CG1 . VAL G 7 32 ? -25.565 -60.566 -22.461 1.00 64.35 ? 33 VAL H CG1 1 +ATOM 17586 C CG2 . VAL G 7 32 ? -24.414 -62.647 -21.682 1.00 64.02 ? 33 VAL H CG2 1 +ATOM 17587 N N . PHE G 7 33 ? -23.002 -58.254 -21.569 1.00 60.63 ? 34 PHE H N 1 +ATOM 17588 C CA . PHE G 7 33 ? -23.021 -56.822 -21.841 1.00 61.77 ? 34 PHE H CA 1 +ATOM 17589 C C . PHE G 7 33 ? -21.818 -56.396 -22.680 1.00 53.59 ? 34 PHE H C 1 +ATOM 17590 O O . PHE G 7 33 ? -21.965 -55.601 -23.612 1.00 55.27 ? 34 PHE H O 1 +ATOM 17591 C CB . PHE G 7 33 ? -23.088 -56.039 -20.530 1.00 62.75 ? 34 PHE H CB 1 +ATOM 17592 C CG . PHE G 7 33 ? -24.464 -55.972 -19.957 1.00 63.29 ? 34 PHE H CG 1 +ATOM 17593 C CD1 . PHE G 7 33 ? -25.445 -55.221 -20.578 1.00 68.34 ? 34 PHE H CD1 1 +ATOM 17594 C CD2 . PHE G 7 33 ? -24.786 -56.676 -18.801 1.00 79.17 ? 34 PHE H CD2 1 +ATOM 17595 C CE1 . PHE G 7 33 ? -26.722 -55.166 -20.070 1.00 79.44 ? 34 PHE H CE1 1 +ATOM 17596 C CE2 . PHE G 7 33 ? -26.063 -56.619 -18.278 1.00 69.84 ? 34 PHE H CE2 1 +ATOM 17597 C CZ . PHE G 7 33 ? -27.035 -55.867 -18.919 1.00 75.39 ? 34 PHE H CZ 1 +ATOM 17598 N N . MET G 7 34 ? -20.634 -56.953 -22.390 1.00 57.58 ? 35 MET H N 1 +ATOM 17599 C CA . MET G 7 34 ? -19.450 -56.714 -23.218 1.00 64.71 ? 35 MET H CA 1 +ATOM 17600 C C . MET G 7 34 ? -19.688 -57.106 -24.678 1.00 59.40 ? 35 MET H C 1 +ATOM 17601 O O . MET G 7 34 ? -19.361 -56.347 -25.599 1.00 65.77 ? 35 MET H O 1 +ATOM 17602 C CB . MET G 7 34 ? -18.254 -57.471 -22.639 1.00 52.32 ? 35 MET H CB 1 +ATOM 17603 C CG . MET G 7 34 ? -17.733 -56.856 -21.343 1.00 68.54 ? 35 MET H CG 1 +ATOM 17604 S SD . MET G 7 34 ? -16.246 -57.655 -20.700 1.00 67.62 ? 35 MET H SD 1 +ATOM 17605 C CE . MET G 7 34 ? -15.152 -57.486 -22.110 1.00 64.24 ? 35 MET H CE 1 +ATOM 17606 N N . GLY G 7 35 ? -20.251 -58.292 -24.912 1.00 60.79 ? 36 GLY H N 1 +ATOM 17607 C CA . GLY G 7 35 ? -20.531 -58.710 -26.276 1.00 51.58 ? 36 GLY H CA 1 +ATOM 17608 C C . GLY G 7 35 ? -21.508 -57.785 -26.982 1.00 62.12 ? 36 GLY H C 1 +ATOM 17609 O O . GLY G 7 35 ? -21.323 -57.445 -28.154 1.00 62.08 ? 36 GLY H O 1 +ATOM 17610 N N . LEU G 7 36 ? -22.570 -57.374 -26.286 1.00 50.97 ? 37 LEU H N 1 +ATOM 17611 C CA . LEU G 7 36 ? -23.508 -56.444 -26.895 1.00 62.29 ? 37 LEU H CA 1 +ATOM 17612 C C . LEU G 7 36 ? -22.821 -55.122 -27.219 1.00 71.55 ? 37 LEU H C 1 +ATOM 17613 O O . LEU G 7 36 ? -23.067 -54.530 -28.282 1.00 56.04 ? 37 LEU H O 1 +ATOM 17614 C CB . LEU G 7 36 ? -24.694 -56.210 -25.963 1.00 64.16 ? 37 LEU H CB 1 +ATOM 17615 C CG . LEU G 7 36 ? -25.564 -57.416 -25.649 1.00 67.20 ? 37 LEU H CG 1 +ATOM 17616 C CD1 . LEU G 7 36 ? -26.617 -57.031 -24.626 1.00 74.04 ? 37 LEU H CD1 1 +ATOM 17617 C CD2 . LEU G 7 36 ? -26.207 -57.892 -26.914 1.00 69.82 ? 37 LEU H CD2 1 +ATOM 17618 N N . PHE G 7 37 ? -21.954 -54.653 -26.306 1.00 55.62 ? 38 PHE H N 1 +ATOM 17619 C CA . PHE G 7 37 ? -21.220 -53.407 -26.516 1.00 50.57 ? 38 PHE H CA 1 +ATOM 17620 C C . PHE G 7 37 ? -20.284 -53.506 -27.717 1.00 58.07 ? 38 PHE H C 1 +ATOM 17621 O O . PHE G 7 37 ? -20.185 -52.566 -28.525 1.00 55.65 ? 38 PHE H O 1 +ATOM 17622 C CB . PHE G 7 37 ? -20.439 -53.057 -25.250 1.00 62.17 ? 38 PHE H CB 1 +ATOM 17623 C CG . PHE G 7 37 ? -19.929 -51.644 -25.223 1.00 61.86 ? 38 PHE H CG 1 +ATOM 17624 C CD1 . PHE G 7 37 ? -20.750 -50.596 -25.613 1.00 63.15 ? 38 PHE H CD1 1 +ATOM 17625 C CD2 . PHE G 7 37 ? -18.633 -51.364 -24.805 1.00 64.62 ? 38 PHE H CD2 1 +ATOM 17626 C CE1 . PHE G 7 37 ? -20.295 -49.294 -25.590 1.00 59.36 ? 38 PHE H CE1 1 +ATOM 17627 C CE2 . PHE G 7 37 ? -18.167 -50.057 -24.781 1.00 65.85 ? 38 PHE H CE2 1 +ATOM 17628 C CZ . PHE G 7 37 ? -19.002 -49.023 -25.177 1.00 56.28 ? 38 PHE H CZ 1 +ATOM 17629 N N . LEU G 7 38 ? -19.601 -54.644 -27.862 1.00 54.43 ? 39 LEU H N 1 +ATOM 17630 C CA . LEU G 7 38 ? -18.764 -54.852 -29.037 1.00 63.31 ? 39 LEU H CA 1 +ATOM 17631 C C . LEU G 7 38 ? -19.578 -54.742 -30.322 1.00 65.74 ? 39 LEU H C 1 +ATOM 17632 O O . LEU G 7 38 ? -19.149 -54.099 -31.286 1.00 61.15 ? 39 LEU H O 1 +ATOM 17633 C CB . LEU G 7 38 ? -18.055 -56.203 -28.944 1.00 52.15 ? 39 LEU H CB 1 +ATOM 17634 C CG . LEU G 7 38 ? -17.137 -56.614 -30.098 1.00 72.32 ? 39 LEU H CG 1 +ATOM 17635 C CD1 . LEU G 7 38 ? -16.082 -57.586 -29.590 1.00 76.05 ? 39 LEU H CD1 1 +ATOM 17636 C CD2 . LEU G 7 38 ? -17.924 -57.302 -31.211 1.00 94.02 ? 39 LEU H CD2 1 +ATOM 17637 N N . VAL G 7 39 ? -20.751 -55.379 -30.369 1.00 53.81 ? 40 VAL H N 1 +ATOM 17638 C CA . VAL G 7 39 ? -21.540 -55.290 -31.592 1.00 58.53 ? 40 VAL H CA 1 +ATOM 17639 C C . VAL G 7 39 ? -21.983 -53.853 -31.810 1.00 52.93 ? 40 VAL H C 1 +ATOM 17640 O O . VAL G 7 39 ? -22.066 -53.383 -32.953 1.00 56.57 ? 40 VAL H O 1 +ATOM 17641 C CB . VAL G 7 39 ? -22.734 -56.271 -31.552 1.00 66.32 ? 40 VAL H CB 1 +ATOM 17642 C CG1 . VAL G 7 39 ? -23.625 -56.101 -32.795 1.00 53.34 ? 40 VAL H CG1 1 +ATOM 17643 C CG2 . VAL G 7 39 ? -22.234 -57.712 -31.477 1.00 54.18 ? 40 VAL H CG2 1 +ATOM 17644 N N . PHE G 7 40 ? -22.244 -53.122 -30.722 1.00 54.96 ? 41 PHE H N 1 +ATOM 17645 C CA . PHE G 7 40 ? -22.666 -51.730 -30.832 1.00 56.62 ? 41 PHE H CA 1 +ATOM 17646 C C . PHE G 7 40 ? -21.569 -50.869 -31.455 1.00 57.49 ? 41 PHE H C 1 +ATOM 17647 O O . PHE G 7 40 ? -21.821 -50.102 -32.388 1.00 60.47 ? 41 PHE H O 1 +ATOM 17648 C CB . PHE G 7 40 ? -23.059 -51.200 -29.451 1.00 51.39 ? 41 PHE H CB 1 +ATOM 17649 C CG . PHE G 7 40 ? -23.346 -49.728 -29.432 1.00 61.51 ? 41 PHE H CG 1 +ATOM 17650 C CD1 . PHE G 7 40 ? -24.427 -49.210 -30.133 1.00 70.53 ? 41 PHE H CD1 1 +ATOM 17651 C CD2 . PHE G 7 40 ? -22.525 -48.849 -28.728 1.00 69.58 ? 41 PHE H CD2 1 +ATOM 17652 C CE1 . PHE G 7 40 ? -24.703 -47.848 -30.129 1.00 72.13 ? 41 PHE H CE1 1 +ATOM 17653 C CE2 . PHE G 7 40 ? -22.789 -47.473 -28.725 1.00 66.33 ? 41 PHE H CE2 1 +ATOM 17654 C CZ . PHE G 7 40 ? -23.885 -46.977 -29.419 1.00 65.79 ? 41 PHE H CZ 1 +ATOM 17655 N N . LEU G 7 41 ? -20.338 -50.991 -30.953 1.00 58.44 ? 42 LEU H N 1 +ATOM 17656 C CA . LEU G 7 41 ? -19.212 -50.271 -31.541 1.00 55.84 ? 42 LEU H CA 1 +ATOM 17657 C C . LEU G 7 41 ? -19.011 -50.651 -32.999 1.00 60.20 ? 42 LEU H C 1 +ATOM 17658 O O . LEU G 7 41 ? -18.716 -49.791 -33.841 1.00 57.00 ? 42 LEU H O 1 +ATOM 17659 C CB . LEU G 7 41 ? -17.938 -50.548 -30.744 1.00 51.28 ? 42 LEU H CB 1 +ATOM 17660 C CG . LEU G 7 41 ? -17.980 -50.005 -29.313 1.00 53.97 ? 42 LEU H CG 1 +ATOM 17661 C CD1 . LEU G 7 41 ? -16.713 -50.386 -28.542 1.00 55.34 ? 42 LEU H CD1 1 +ATOM 17662 C CD2 . LEU G 7 41 ? -18.188 -48.480 -29.330 1.00 53.14 ? 42 LEU H CD2 1 +ATOM 17663 N N . LEU G 7 42 ? -19.140 -51.938 -33.316 1.00 56.52 ? 43 LEU H N 1 +ATOM 17664 C CA . LEU G 7 42 ? -19.034 -52.372 -34.705 1.00 48.45 ? 43 LEU H CA 1 +ATOM 17665 C C . LEU G 7 42 ? -20.053 -51.660 -35.582 1.00 53.60 ? 43 LEU H C 1 +ATOM 17666 O O . LEU G 7 42 ? -19.738 -51.225 -36.695 1.00 56.95 ? 43 LEU H O 1 +ATOM 17667 C CB . LEU G 7 42 ? -19.237 -53.882 -34.787 1.00 59.73 ? 43 LEU H CB 1 +ATOM 17668 C CG . LEU G 7 42 ? -18.120 -54.723 -35.394 1.00 72.16 ? 43 LEU H CG 1 +ATOM 17669 C CD1 . LEU G 7 42 ? -16.772 -54.319 -34.843 1.00 67.55 ? 43 LEU H CD1 1 +ATOM 17670 C CD2 . LEU G 7 42 ? -18.398 -56.187 -35.092 1.00 77.73 ? 43 LEU H CD2 1 +ATOM 17671 N N . ILE G 7 43 ? -21.283 -51.533 -35.088 1.00 53.96 ? 44 ILE H N 1 +ATOM 17672 C CA . ILE G 7 43 ? -22.338 -50.912 -35.876 1.00 54.91 ? 44 ILE H CA 1 +ATOM 17673 C C . ILE G 7 43 ? -22.020 -49.442 -36.118 1.00 49.43 ? 44 ILE H C 1 +ATOM 17674 O O . ILE G 7 43 ? -22.098 -48.958 -37.249 1.00 53.54 ? 44 ILE H O 1 +ATOM 17675 C CB . ILE G 7 43 ? -23.706 -51.099 -35.189 1.00 50.68 ? 44 ILE H CB 1 +ATOM 17676 C CG1 . ILE G 7 43 ? -24.203 -52.534 -35.379 1.00 61.08 ? 44 ILE H CG1 1 +ATOM 17677 C CG2 . ILE G 7 43 ? -24.728 -50.127 -35.758 1.00 55.65 ? 44 ILE H CG2 1 +ATOM 17678 C CD1 . ILE G 7 43 ? -25.474 -52.872 -34.583 1.00 57.71 ? 44 ILE H CD1 1 +ATOM 17679 N N . ILE G 7 44 ? -21.663 -48.704 -35.058 1.00 56.20 ? 45 ILE H N 1 +ATOM 17680 C CA . ILE G 7 44 ? -21.425 -47.276 -35.254 1.00 56.48 ? 45 ILE H CA 1 +ATOM 17681 C C . ILE G 7 44 ? -20.135 -47.061 -36.029 1.00 50.34 ? 45 ILE H C 1 +ATOM 17682 O O . ILE G 7 44 ? -20.027 -46.110 -36.809 1.00 51.92 ? 45 ILE H O 1 +ATOM 17683 C CB . ILE G 7 44 ? -21.419 -46.507 -33.918 1.00 64.94 ? 45 ILE H CB 1 +ATOM 17684 C CG1 . ILE G 7 44 ? -20.342 -47.035 -32.968 1.00 49.49 ? 45 ILE H CG1 1 +ATOM 17685 C CG2 . ILE G 7 44 ? -22.809 -46.497 -33.280 1.00 49.96 ? 45 ILE H CG2 1 +ATOM 17686 C CD1 . ILE G 7 44 ? -20.179 -46.147 -31.733 1.00 53.74 ? 45 ILE H CD1 1 +ATOM 17687 N N . LEU G 7 45 ? -19.155 -47.952 -35.871 1.00 46.71 ? 46 LEU H N 1 +ATOM 17688 C CA . LEU G 7 45 ? -17.959 -47.844 -36.695 1.00 52.04 ? 46 LEU H CA 1 +ATOM 17689 C C . LEU G 7 45 ? -18.290 -48.012 -38.176 1.00 50.58 ? 46 LEU H C 1 +ATOM 17690 O O . LEU G 7 45 ? -17.875 -47.204 -39.008 1.00 56.17 ? 46 LEU H O 1 +ATOM 17691 C CB . LEU G 7 45 ? -16.916 -48.871 -36.255 1.00 55.07 ? 46 LEU H CB 1 +ATOM 17692 C CG . LEU G 7 45 ? -15.715 -48.995 -37.205 1.00 53.90 ? 46 LEU H CG 1 +ATOM 17693 C CD1 . LEU G 7 45 ? -14.958 -47.679 -37.288 1.00 52.99 ? 46 LEU H CD1 1 +ATOM 17694 C CD2 . LEU G 7 45 ? -14.792 -50.114 -36.756 1.00 53.16 ? 46 LEU H CD2 1 +ATOM 17695 N N . GLU G 7 46 ? -19.037 -49.064 -38.526 1.00 52.33 ? 47 GLU H N 1 +ATOM 17696 C CA . GLU G 7 46 ? -19.265 -49.377 -39.940 1.00 57.62 ? 47 GLU H CA 1 +ATOM 17697 C C . GLU G 7 46 ? -20.234 -48.411 -40.603 1.00 51.63 ? 47 GLU H C 1 +ATOM 17698 O O . GLU G 7 46 ? -20.146 -48.222 -41.820 1.00 53.63 ? 47 GLU H O 1 +ATOM 17699 C CB . GLU G 7 46 ? -19.721 -50.840 -40.090 1.00 51.38 ? 47 GLU H CB 1 +ATOM 17700 C CG . GLU G 7 46 ? -18.596 -51.796 -39.701 1.00 47.70 ? 47 GLU H CG 1 +ATOM 17701 C CD . GLU G 7 46 ? -18.905 -53.267 -39.892 1.00 59.23 ? 47 GLU H CD 1 +ATOM 17702 O OE1 . GLU G 7 46 ? -19.902 -53.608 -40.559 1.00 61.98 ? 47 GLU H OE1 1 +ATOM 17703 O OE2 . GLU G 7 46 ? -18.118 -54.084 -39.376 1.00 52.77 ? 47 GLU H OE2 1 +ATOM 17704 N N . ILE G 7 47 ? -21.122 -47.772 -39.834 1.00 50.72 ? 48 ILE H N 1 +ATOM 17705 C CA . ILE G 7 47 ? -21.953 -46.691 -40.375 1.00 51.11 ? 48 ILE H CA 1 +ATOM 17706 C C . ILE G 7 47 ? -21.084 -45.496 -40.768 1.00 53.30 ? 48 ILE H C 1 +ATOM 17707 O O . ILE G 7 47 ? -21.221 -44.931 -41.860 1.00 50.86 ? 48 ILE H O 1 +ATOM 17708 C CB . ILE G 7 47 ? -23.030 -46.267 -39.348 1.00 53.73 ? 48 ILE H CB 1 +ATOM 17709 C CG1 . ILE G 7 47 ? -24.065 -47.376 -39.102 1.00 60.31 ? 48 ILE H CG1 1 +ATOM 17710 C CG2 . ILE G 7 47 ? -23.695 -44.956 -39.752 1.00 47.08 ? 48 ILE H CG2 1 +ATOM 17711 C CD1 . ILE G 7 47 ? -25.096 -47.005 -38.037 1.00 56.14 ? 48 ILE H CD1 1 +ATOM 17712 N N . TYR G 7 48 ? -20.220 -45.055 -39.847 1.00 53.83 ? 49 TYR H N 1 +ATOM 17713 C CA . TYR G 7 48 ? -19.299 -43.962 -40.132 1.00 49.99 ? 49 TYR H CA 1 +ATOM 17714 C C . TYR G 7 48 ? -18.407 -44.295 -41.321 1.00 52.30 ? 49 TYR H C 1 +ATOM 17715 O O . TYR G 7 48 ? -18.051 -43.410 -42.110 1.00 48.60 ? 49 TYR H O 1 +ATOM 17716 C CB . TYR G 7 48 ? -18.453 -43.679 -38.883 1.00 48.59 ? 49 TYR H CB 1 +ATOM 17717 C CG . TYR G 7 48 ? -18.070 -42.228 -38.660 1.00 51.27 ? 49 TYR H CG 1 +ATOM 17718 C CD1 . TYR G 7 48 ? -17.704 -41.408 -39.725 1.00 49.95 ? 49 TYR H CD1 1 +ATOM 17719 C CD2 . TYR G 7 48 ? -18.056 -41.688 -37.373 1.00 51.07 ? 49 TYR H CD2 1 +ATOM 17720 C CE1 . TYR G 7 48 ? -17.340 -40.074 -39.511 1.00 53.46 ? 49 TYR H CE1 1 +ATOM 17721 C CE2 . TYR G 7 48 ? -17.697 -40.371 -37.139 1.00 49.66 ? 49 TYR H CE2 1 +ATOM 17722 C CZ . TYR G 7 48 ? -17.337 -39.562 -38.208 1.00 56.37 ? 49 TYR H CZ 1 +ATOM 17723 O OH . TYR G 7 48 ? -16.985 -38.253 -37.976 1.00 49.62 ? 49 TYR H OH 1 +ATOM 17724 N N . ASN G 7 49 ? -18.051 -45.572 -41.464 1.00 50.48 ? 50 ASN H N 1 +ATOM 17725 C CA . ASN G 7 49 ? -17.133 -46.041 -42.491 1.00 52.94 ? 50 ASN H CA 1 +ATOM 17726 C C . ASN G 7 49 ? -17.820 -46.247 -43.830 1.00 55.07 ? 50 ASN H C 1 +ATOM 17727 O O . ASN G 7 49 ? -17.127 -46.478 -44.829 1.00 53.79 ? 50 ASN H O 1 +ATOM 17728 C CB . ASN G 7 49 ? -16.467 -47.359 -42.027 1.00 49.13 ? 50 ASN H CB 1 +ATOM 17729 C CG . ASN G 7 49 ? -15.318 -47.806 -42.934 1.00 57.76 ? 50 ASN H CG 1 +ATOM 17730 O OD1 . ASN G 7 49 ? -15.434 -48.800 -43.645 1.00 58.13 ? 50 ASN H OD1 1 +ATOM 17731 N ND2 . ASN G 7 49 ? -14.200 -47.085 -42.894 1.00 52.34 ? 50 ASN H ND2 1 +ATOM 17732 N N . SER G 7 50 ? -19.154 -46.165 -43.875 1.00 50.56 ? 51 SER H N 1 +ATOM 17733 C CA . SER G 7 50 ? -19.930 -46.493 -45.082 1.00 56.81 ? 51 SER H CA 1 +ATOM 17734 C C . SER G 7 50 ? -19.751 -47.950 -45.507 1.00 55.46 ? 51 SER H C 1 +ATOM 17735 O O . SER G 7 50 ? -19.895 -48.296 -46.684 1.00 65.61 ? 51 SER H O 1 +ATOM 17736 C CB . SER G 7 50 ? -19.585 -45.558 -46.241 1.00 48.78 ? 51 SER H CB 1 +ATOM 17737 O OG . SER G 7 50 ? -20.128 -44.292 -45.979 1.00 63.49 ? 51 SER H OG 1 +ATOM 17738 N N . THR G 7 51 ? -19.397 -48.809 -44.561 1.00 54.45 ? 52 THR H N 1 +ATOM 17739 C CA . THR G 7 51 ? -19.452 -50.242 -44.776 1.00 50.61 ? 52 THR H CA 1 +ATOM 17740 C C . THR G 7 51 ? -20.833 -50.795 -44.439 1.00 63.55 ? 52 THR H C 1 +ATOM 17741 O O . THR G 7 51 ? -21.266 -51.801 -45.018 1.00 56.90 ? 52 THR H O 1 +ATOM 17742 C CB . THR G 7 51 ? -18.358 -50.912 -43.939 1.00 59.28 ? 52 THR H CB 1 +ATOM 17743 O OG1 . THR G 7 51 ? -17.113 -50.781 -44.634 1.00 55.31 ? 52 THR H OG1 1 +ATOM 17744 C CG2 . THR G 7 51 ? -18.649 -52.412 -43.688 1.00 55.42 ? 52 THR H CG2 1 +ATOM 17745 N N . LEU G 7 52 ? -21.540 -50.131 -43.533 1.00 56.12 ? 53 LEU H N 1 +ATOM 17746 C CA . LEU G 7 52 ? -22.918 -50.446 -43.201 1.00 56.07 ? 53 LEU H CA 1 +ATOM 17747 C C . LEU G 7 52 ? -23.771 -49.266 -43.640 1.00 58.50 ? 53 LEU H C 1 +ATOM 17748 O O . LEU G 7 52 ? -23.608 -48.155 -43.128 1.00 55.78 ? 53 LEU H O 1 +ATOM 17749 C CB . LEU G 7 52 ? -23.078 -50.731 -41.706 1.00 55.40 ? 53 LEU H CB 1 +ATOM 17750 C CG . LEU G 7 52 ? -24.493 -51.043 -41.210 1.00 66.19 ? 53 LEU H CG 1 +ATOM 17751 C CD1 . LEU G 7 52 ? -25.089 -52.185 -41.996 1.00 58.53 ? 53 LEU H CD1 1 +ATOM 17752 C CD2 . LEU G 7 52 ? -24.466 -51.392 -39.730 1.00 62.63 ? 53 LEU H CD2 1 +ATOM 17753 N N . ILE G 7 53 ? -24.652 -49.499 -44.608 1.00 56.11 ? 54 ILE H N 1 +ATOM 17754 C CA . ILE G 7 53 ? -25.459 -48.446 -45.215 1.00 63.79 ? 54 ILE H CA 1 +ATOM 17755 C C . ILE G 7 53 ? -26.919 -48.726 -44.897 1.00 61.25 ? 54 ILE H C 1 +ATOM 17756 O O . ILE G 7 53 ? -27.413 -49.828 -45.153 1.00 66.14 ? 54 ILE H O 1 +ATOM 17757 C CB . ILE G 7 53 ? -25.223 -48.361 -46.737 1.00 62.57 ? 54 ILE H CB 1 +ATOM 17758 C CG1 . ILE G 7 53 ? -23.719 -48.328 -47.029 1.00 55.90 ? 54 ILE H CG1 1 +ATOM 17759 C CG2 . ILE G 7 53 ? -25.916 -47.142 -47.306 1.00 54.66 ? 54 ILE H CG2 1 +ATOM 17760 C CD1 . ILE G 7 53 ? -23.373 -48.339 -48.485 1.00 58.10 ? 54 ILE H CD1 1 +ATOM 17761 N N . LEU G 7 54 ? -27.597 -47.745 -44.320 1.00 58.44 ? 55 LEU H N 1 +ATOM 17762 C CA . LEU G 7 54 ? -28.959 -47.919 -43.844 1.00 67.73 ? 55 LEU H CA 1 +ATOM 17763 C C . LEU G 7 54 ? -29.879 -46.939 -44.552 1.00 68.15 ? 55 LEU H C 1 +ATOM 17764 O O . LEU G 7 54 ? -29.465 -45.837 -44.932 1.00 73.94 ? 55 LEU H O 1 +ATOM 17765 C CB . LEU G 7 54 ? -29.053 -47.716 -42.328 1.00 53.86 ? 55 LEU H CB 1 +ATOM 17766 C CG . LEU G 7 54 ? -28.211 -48.631 -41.432 1.00 63.84 ? 55 LEU H CG 1 +ATOM 17767 C CD1 . LEU G 7 54 ? -28.311 -48.189 -39.958 1.00 58.49 ? 55 LEU H CD1 1 +ATOM 17768 C CD2 . LEU G 7 54 ? -28.596 -50.096 -41.578 1.00 61.99 ? 55 LEU H CD2 1 +ATOM 17769 N N . ASP G 7 55 ? -31.134 -47.350 -44.736 1.00 67.95 ? 56 ASP H N 1 +ATOM 17770 C CA . ASP G 7 55 ? -32.116 -46.467 -45.357 1.00 70.09 ? 56 ASP H CA 1 +ATOM 17771 C C . ASP G 7 55 ? -32.312 -45.207 -44.529 1.00 68.38 ? 56 ASP H C 1 +ATOM 17772 O O . ASP G 7 55 ? -32.530 -45.276 -43.317 1.00 68.36 ? 56 ASP H O 1 +ATOM 17773 C CB . ASP G 7 55 ? -33.447 -47.184 -45.526 1.00 74.16 ? 56 ASP H CB 1 +ATOM 17774 C CG . ASP G 7 55 ? -33.561 -47.846 -46.859 1.00 85.34 ? 56 ASP H CG 1 +ATOM 17775 O OD1 . ASP G 7 55 ? -33.070 -47.267 -47.854 1.00 98.36 ? 56 ASP H OD1 1 +ATOM 17776 O OD2 . ASP G 7 55 ? -34.124 -48.951 -46.915 1.00 117.26 ? 56 ASP H OD2 1 +ATOM 17777 N N . GLY G 7 56 ? -32.227 -44.057 -45.190 1.00 72.65 ? 57 GLY H N 1 +ATOM 17778 C CA . GLY G 7 56 ? -32.461 -42.797 -44.519 1.00 72.60 ? 57 GLY H CA 1 +ATOM 17779 C C . GLY G 7 56 ? -31.345 -42.321 -43.619 1.00 80.03 ? 57 GLY H C 1 +ATOM 17780 O O . GLY G 7 56 ? -31.533 -41.338 -42.891 1.00 79.55 ? 57 GLY H O 1 +ATOM 17781 N N . VAL G 7 57 ? -30.195 -42.982 -43.630 1.00 66.16 ? 58 VAL H N 1 +ATOM 17782 C CA . VAL G 7 57 ? -29.039 -42.554 -42.857 1.00 69.09 ? 58 VAL H CA 1 +ATOM 17783 C C . VAL G 7 57 ? -27.970 -42.149 -43.862 1.00 64.07 ? 58 VAL H C 1 +ATOM 17784 O O . VAL G 7 57 ? -27.281 -43.004 -44.432 1.00 67.58 ? 58 VAL H O 1 +ATOM 17785 C CB . VAL G 7 57 ? -28.551 -43.649 -41.905 1.00 66.83 ? 58 VAL H CB 1 +ATOM 17786 C CG1 . VAL G 7 57 ? -27.395 -43.135 -41.041 1.00 68.72 ? 58 VAL H CG1 1 +ATOM 17787 C CG2 . VAL G 7 57 ? -29.706 -44.117 -41.027 1.00 64.10 ? 58 VAL H CG2 1 +ATOM 17788 N N . ASN G 7 58 ? -27.832 -40.842 -44.085 1.00 59.17 ? 59 ASN H N 1 +ATOM 17789 C CA . ASN G 7 58 ? -26.910 -40.292 -45.078 1.00 73.43 ? 59 ASN H CA 1 +ATOM 17790 C C . ASN G 7 58 ? -25.703 -39.714 -44.349 1.00 59.27 ? 59 ASN H C 1 +ATOM 17791 O O . ASN G 7 58 ? -25.800 -38.659 -43.715 1.00 61.73 ? 59 ASN H O 1 +ATOM 17792 C CB . ASN G 7 58 ? -27.607 -39.228 -45.927 1.00 65.52 ? 59 ASN H CB 1 +ATOM 17793 C CG . ASN G 7 58 ? -26.659 -38.539 -46.905 1.00 78.95 ? 59 ASN H CG 1 +ATOM 17794 O OD1 . ASN G 7 58 ? -25.703 -39.143 -47.400 1.00 89.68 ? 59 ASN H OD1 1 +ATOM 17795 N ND2 . ASN G 7 58 ? -26.918 -37.263 -47.180 1.00 88.17 ? 59 ASN H ND2 1 +ATOM 17796 N N . VAL G 7 59 ? -24.570 -40.403 -44.435 1.00 58.59 ? 60 VAL H N 1 +ATOM 17797 C CA . VAL G 7 59 ? -23.403 -40.063 -43.625 1.00 58.96 ? 60 VAL H CA 1 +ATOM 17798 C C . VAL G 7 59 ? -22.635 -38.976 -44.369 1.00 50.43 ? 60 VAL H C 1 +ATOM 17799 O O . VAL G 7 59 ? -21.694 -39.232 -45.111 1.00 56.71 ? 60 VAL H O 1 +ATOM 17800 C CB . VAL G 7 59 ? -22.551 -41.285 -43.315 1.00 55.41 ? 60 VAL H CB 1 +ATOM 17801 C CG1 . VAL G 7 59 ? -21.355 -40.892 -42.452 1.00 61.78 ? 60 VAL H CG1 1 +ATOM 17802 C CG2 . VAL G 7 59 ? -23.416 -42.276 -42.584 1.00 61.17 ? 60 VAL H CG2 1 +ATOM 17803 N N . SER G 7 60 ? -23.041 -37.738 -44.142 1.00 57.04 ? 61 SER H N 1 +ATOM 17804 C CA . SER G 7 60 ? -22.526 -36.621 -44.900 1.00 54.81 ? 61 SER H CA 1 +ATOM 17805 C C . SER G 7 60 ? -22.965 -35.360 -44.198 1.00 58.07 ? 61 SER H C 1 +ATOM 17806 O O . SER G 7 60 ? -23.995 -35.353 -43.522 1.00 55.19 ? 61 SER H O 1 +ATOM 17807 C CB . SER G 7 60 ? -23.057 -36.627 -46.347 1.00 55.02 ? 61 SER H CB 1 +ATOM 17808 O OG . SER G 7 60 ? -22.793 -35.388 -46.974 1.00 68.95 ? 61 SER H OG 1 +ATOM 17809 N N . TRP G 7 61 ? -22.179 -34.292 -44.383 1.00 58.58 ? 62 TRP H N 1 +ATOM 17810 C CA . TRP G 7 61 ? -22.617 -32.961 -43.985 1.00 63.53 ? 62 TRP H CA 1 +ATOM 17811 C C . TRP G 7 61 ? -24.016 -32.652 -44.496 1.00 72.16 ? 62 TRP H C 1 +ATOM 17812 O O . TRP G 7 61 ? -24.730 -31.848 -43.887 1.00 70.39 ? 62 TRP H O 1 +ATOM 17813 C CB . TRP G 7 61 ? -21.662 -31.901 -44.526 1.00 53.24 ? 62 TRP H CB 1 +ATOM 17814 C CG . TRP G 7 61 ? -20.279 -32.000 -44.040 1.00 57.60 ? 62 TRP H CG 1 +ATOM 17815 C CD1 . TRP G 7 61 ? -19.199 -32.470 -44.729 1.00 50.61 ? 62 TRP H CD1 1 +ATOM 17816 C CD2 . TRP G 7 61 ? -19.797 -31.598 -42.751 1.00 49.74 ? 62 TRP H CD2 1 +ATOM 17817 N NE1 . TRP G 7 61 ? -18.069 -32.396 -43.939 1.00 56.04 ? 62 TRP H NE1 1 +ATOM 17818 C CE2 . TRP G 7 61 ? -18.409 -31.862 -42.723 1.00 49.85 ? 62 TRP H CE2 1 +ATOM 17819 C CE3 . TRP G 7 61 ? -20.399 -31.035 -41.624 1.00 52.12 ? 62 TRP H CE3 1 +ATOM 17820 C CZ2 . TRP G 7 61 ? -17.615 -31.579 -41.615 1.00 47.67 ? 62 TRP H CZ2 1 +ATOM 17821 C CZ3 . TRP G 7 61 ? -19.608 -30.774 -40.504 1.00 55.73 ? 62 TRP H CZ3 1 +ATOM 17822 C CH2 . TRP G 7 61 ? -18.232 -31.042 -40.512 1.00 47.62 ? 62 TRP H CH2 1 +ATOM 17823 N N . LYS G 7 62 ? -24.412 -33.258 -45.624 1.00 71.03 ? 63 LYS H N 1 +ATOM 17824 C CA . LYS G 7 62 ? -25.701 -32.979 -46.255 1.00 86.67 ? 63 LYS H CA 1 +ATOM 17825 C C . LYS G 7 62 ? -26.881 -33.459 -45.413 1.00 83.84 ? 63 LYS H C 1 +ATOM 17826 O O . LYS G 7 62 ? -28.042 -33.245 -45.773 1.00 96.87 ? 63 LYS H O 1 +ATOM 17827 C CB . LYS G 7 62 ? -25.764 -33.603 -47.649 1.00 77.23 ? 63 LYS H CB 1 +ATOM 17828 C CG . LYS G 7 62 ? -25.156 -32.712 -48.730 1.00 91.73 ? 63 LYS H CG 1 +ATOM 17829 C CD . LYS G 7 62 ? -25.320 -33.342 -50.102 1.00 126.93 ? 63 LYS H CD 1 +ATOM 17830 C CE . LYS G 7 62 ? -24.938 -32.379 -51.229 1.00 118.02 ? 63 LYS H CE 1 +ATOM 17831 N NZ . LYS G 7 62 ? -25.105 -33.008 -52.580 1.00 99.21 ? 63 LYS H NZ 1 +ATOM 17832 N N . ALA G 7 63 ? -26.591 -34.117 -44.289 1.00 95.96 ? 64 ALA H N 1 +ATOM 17833 C CA . ALA G 7 63 ? -27.577 -34.323 -43.238 1.00 112.06 ? 64 ALA H CA 1 +ATOM 17834 C C . ALA G 7 63 ? -27.606 -33.164 -42.236 1.00 117.52 ? 64 ALA H C 1 +ATOM 17835 O O . ALA G 7 63 ? -28.137 -33.324 -41.127 1.00 130.81 ? 64 ALA H O 1 +ATOM 17836 C CB . ALA G 7 63 ? -27.316 -35.651 -42.519 1.00 86.06 ? 64 ALA H CB 1 +ATOM 17837 N N . LEU G 7 64 ? -27.030 -32.017 -42.602 1.00 101.42 ? 65 LEU H N 1 +ATOM 17838 C CA . LEU G 7 64 ? -26.991 -30.798 -41.777 1.00 110.97 ? 65 LEU H CA 1 +ATOM 17839 C C . LEU G 7 64 ? -26.200 -31.002 -40.474 1.00 120.98 ? 65 LEU H C 1 +ATOM 17840 O O . LEU G 7 64 ? -25.182 -30.334 -40.230 1.00 101.48 ? 65 LEU H O 1 +ATOM 17841 C CB . LEU G 7 64 ? -28.414 -30.303 -41.464 1.00 108.56 ? 65 LEU H CB 1 +ATOM 17842 C CG . LEU G 7 64 ? -29.306 -29.754 -42.587 1.00 116.88 ? 65 LEU H CG 1 +ATOM 17843 C CD1 . LEU G 7 64 ? -29.881 -30.844 -43.505 1.00 103.40 ? 65 LEU H CD1 1 +ATOM 17844 C CD2 . LEU G 7 64 ? -30.424 -28.927 -41.974 1.00 127.90 ? 65 LEU H CD2 1 +HETATM 17845 N N . FME H 8 1 ? 53.786 -19.128 -48.019 1.00 79.90 ? 1 FME I N 1 +HETATM 17846 C CN . FME H 8 1 ? 54.114 -18.731 -46.785 1.00 82.63 ? 1 FME I CN 1 +HETATM 17847 O O1 . FME H 8 1 ? 54.202 -19.523 -45.861 1.00 75.99 ? 1 FME I O1 1 +HETATM 17848 C CA . FME H 8 1 ? 53.307 -20.476 -48.260 1.00 69.46 ? 1 FME I CA 1 +HETATM 17849 C CB . FME H 8 1 ? 52.585 -20.567 -49.610 1.00 62.57 ? 1 FME I CB 1 +HETATM 17850 C CG . FME H 8 1 ? 51.265 -19.789 -49.681 1.00 72.05 ? 1 FME I CG 1 +HETATM 17851 S SD . FME H 8 1 ? 50.106 -20.280 -48.435 1.00 68.77 ? 1 FME I SD 1 +HETATM 17852 C CE . FME H 8 1 ? 48.617 -19.559 -49.051 1.00 58.65 ? 1 FME I CE 1 +HETATM 17853 C C . FME H 8 1 ? 54.434 -21.474 -48.217 1.00 69.13 ? 1 FME I C 1 +HETATM 17854 O O . FME H 8 1 ? 54.212 -22.623 -47.803 1.00 67.98 ? 1 FME I O 1 +ATOM 17855 N N . GLU H 8 2 ? 55.636 -21.073 -48.617 1.00 71.79 ? 2 GLU I N 1 +ATOM 17856 C CA . GLU H 8 2 ? 56.766 -21.993 -48.646 1.00 69.63 ? 2 GLU I CA 1 +ATOM 17857 C C . GLU H 8 2 ? 57.185 -22.335 -47.217 1.00 68.24 ? 2 GLU I C 1 +ATOM 17858 O O . GLU H 8 2 ? 57.515 -23.483 -46.908 1.00 67.26 ? 2 GLU I O 1 +ATOM 17859 C CB . GLU H 8 2 ? 57.934 -21.393 -49.439 1.00 72.21 ? 2 GLU I CB 1 +ATOM 17860 C CG . GLU H 8 2 ? 58.992 -22.407 -49.894 1.00 92.77 ? 2 GLU I CG 1 +ATOM 17861 C CD . GLU H 8 2 ? 58.463 -23.445 -50.892 1.00 133.33 ? 2 GLU I CD 1 +ATOM 17862 O OE1 . GLU H 8 2 ? 57.646 -23.081 -51.774 1.00 122.96 ? 2 GLU I OE1 1 +ATOM 17863 O OE2 . GLU H 8 2 ? 58.873 -24.630 -50.795 1.00 121.64 ? 2 GLU I OE2 1 +ATOM 17864 N N . THR H 8 3 ? 57.137 -21.335 -46.333 1.00 67.38 ? 3 THR I N 1 +ATOM 17865 C CA . THR H 8 3 ? 57.456 -21.594 -44.933 1.00 78.06 ? 3 THR I CA 1 +ATOM 17866 C C . THR H 8 3 ? 56.459 -22.563 -44.312 1.00 69.13 ? 3 THR I C 1 +ATOM 17867 O O . THR H 8 3 ? 56.845 -23.481 -43.575 1.00 69.07 ? 3 THR I O 1 +ATOM 17868 C CB . THR H 8 3 ? 57.487 -20.290 -44.136 1.00 64.94 ? 3 THR I CB 1 +ATOM 17869 O OG1 . THR H 8 3 ? 58.330 -19.348 -44.802 1.00 79.98 ? 3 THR I OG1 1 +ATOM 17870 C CG2 . THR H 8 3 ? 58.048 -20.549 -42.769 1.00 59.07 ? 3 THR I CG2 1 +ATOM 17871 N N . LEU H 8 4 ? 55.169 -22.369 -44.593 1.00 72.07 ? 4 LEU I N 1 +ATOM 17872 C CA . LEU H 8 4 ? 54.164 -23.318 -44.131 1.00 68.86 ? 4 LEU I CA 1 +ATOM 17873 C C . LEU H 8 4 ? 54.502 -24.735 -44.592 1.00 67.38 ? 4 LEU I C 1 +ATOM 17874 O O . LEU H 8 4 ? 54.522 -25.674 -43.789 1.00 63.58 ? 4 LEU I O 1 +ATOM 17875 C CB . LEU H 8 4 ? 52.783 -22.891 -44.625 1.00 70.26 ? 4 LEU I CB 1 +ATOM 17876 C CG . LEU H 8 4 ? 51.607 -23.771 -44.211 1.00 69.67 ? 4 LEU I CG 1 +ATOM 17877 C CD1 . LEU H 8 4 ? 51.435 -23.733 -42.718 1.00 62.74 ? 4 LEU I CD1 1 +ATOM 17878 C CD2 . LEU H 8 4 ? 50.365 -23.264 -44.905 1.00 76.18 ? 4 LEU I CD2 1 +ATOM 17879 N N . LYS H 8 5 ? 54.827 -24.889 -45.879 1.00 57.11 ? 5 LYS I N 1 +ATOM 17880 C CA . LYS H 8 5 ? 55.108 -26.208 -46.440 1.00 62.28 ? 5 LYS I CA 1 +ATOM 17881 C C . LYS H 8 5 ? 56.277 -26.889 -45.733 1.00 64.79 ? 5 LYS I C 1 +ATOM 17882 O O . LYS H 8 5 ? 56.197 -28.071 -45.366 1.00 67.58 ? 5 LYS I O 1 +ATOM 17883 C CB . LYS H 8 5 ? 55.381 -26.078 -47.943 1.00 58.41 ? 5 LYS I CB 1 +ATOM 17884 C CG . LYS H 8 5 ? 55.633 -27.398 -48.661 1.00 57.87 ? 5 LYS I CG 1 +ATOM 17885 C CD . LYS H 8 5 ? 55.911 -27.164 -50.150 1.00 57.78 ? 5 LYS I CD 1 +ATOM 17886 C CE . LYS H 8 5 ? 56.028 -28.471 -50.921 1.00 84.07 ? 5 LYS I CE 1 +ATOM 17887 N NZ . LYS H 8 5 ? 56.239 -28.248 -52.403 1.00 84.55 ? 5 LYS I NZ 1 +ATOM 17888 N N . ILE H 8 6 ? 57.381 -26.169 -45.540 1.00 65.82 ? 6 ILE I N 1 +ATOM 17889 C CA . ILE H 8 6 ? 58.530 -26.775 -44.869 1.00 61.85 ? 6 ILE I CA 1 +ATOM 17890 C C . ILE H 8 6 ? 58.163 -27.152 -43.445 1.00 53.54 ? 6 ILE I C 1 +ATOM 17891 O O . ILE H 8 6 ? 58.543 -28.219 -42.954 1.00 63.71 ? 6 ILE I O 1 +ATOM 17892 C CB . ILE H 8 6 ? 59.743 -25.826 -44.891 1.00 80.26 ? 6 ILE I CB 1 +ATOM 17893 C CG1 . ILE H 8 6 ? 60.081 -25.407 -46.324 1.00 74.50 ? 6 ILE I CG1 1 +ATOM 17894 C CG2 . ILE H 8 6 ? 60.933 -26.475 -44.209 1.00 63.86 ? 6 ILE I CG2 1 +ATOM 17895 C CD1 . ILE H 8 6 ? 60.131 -26.555 -47.296 1.00 98.72 ? 6 ILE I CD1 1 +ATOM 17896 N N . THR H 8 7 ? 57.427 -26.275 -42.757 1.00 55.73 ? 7 THR I N 1 +ATOM 17897 C CA . THR H 8 7 ? 57.026 -26.556 -41.385 1.00 53.35 ? 7 THR I CA 1 +ATOM 17898 C C . THR H 8 7 ? 56.218 -27.843 -41.310 1.00 59.52 ? 7 THR I C 1 +ATOM 17899 O O . THR H 8 7 ? 56.567 -28.761 -40.559 1.00 64.06 ? 7 THR I O 1 +ATOM 17900 C CB . THR H 8 7 ? 56.230 -25.373 -40.827 1.00 61.93 ? 7 THR I CB 1 +ATOM 17901 O OG1 . THR H 8 7 ? 57.040 -24.196 -40.887 1.00 60.22 ? 7 THR I OG1 1 +ATOM 17902 C CG2 . THR H 8 7 ? 55.826 -25.610 -39.385 1.00 55.70 ? 7 THR I CG2 1 +ATOM 17903 N N . VAL H 8 8 ? 55.159 -27.949 -42.118 1.00 55.53 ? 8 VAL I N 1 +ATOM 17904 C CA . VAL H 8 8 ? 54.323 -29.148 -42.084 1.00 56.64 ? 8 VAL I CA 1 +ATOM 17905 C C . VAL H 8 8 ? 55.156 -30.385 -42.391 1.00 52.25 ? 8 VAL I C 1 +ATOM 17906 O O . VAL H 8 8 ? 55.068 -31.398 -41.687 1.00 65.01 ? 8 VAL I O 1 +ATOM 17907 C CB . VAL H 8 8 ? 53.128 -29.007 -43.046 1.00 60.65 ? 8 VAL I CB 1 +ATOM 17908 C CG1 . VAL H 8 8 ? 52.414 -30.355 -43.209 1.00 55.30 ? 8 VAL I CG1 1 +ATOM 17909 C CG2 . VAL H 8 8 ? 52.156 -27.934 -42.538 1.00 50.36 ? 8 VAL I CG2 1 +ATOM 17910 N N . TYR H 8 9 ? 55.995 -30.314 -43.431 1.00 59.65 ? 9 TYR I N 1 +ATOM 17911 C CA . TYR H 8 9 ? 56.838 -31.454 -43.794 1.00 56.00 ? 9 TYR I CA 1 +ATOM 17912 C C . TYR H 8 9 ? 57.709 -31.899 -42.626 1.00 65.64 ? 9 TYR I C 1 +ATOM 17913 O O . TYR H 8 9 ? 57.838 -33.103 -42.360 1.00 69.12 ? 9 TYR I O 1 +ATOM 17914 C CB . TYR H 8 9 ? 57.716 -31.106 -44.994 1.00 60.44 ? 9 TYR I CB 1 +ATOM 17915 C CG . TYR H 8 9 ? 57.073 -31.342 -46.334 1.00 60.52 ? 9 TYR I CG 1 +ATOM 17916 C CD1 . TYR H 8 9 ? 55.813 -30.852 -46.610 1.00 74.13 ? 9 TYR I CD1 1 +ATOM 17917 C CD2 . TYR H 8 9 ? 57.729 -32.043 -47.328 1.00 72.32 ? 9 TYR I CD2 1 +ATOM 17918 C CE1 . TYR H 8 9 ? 55.214 -31.056 -47.838 1.00 69.69 ? 9 TYR I CE1 1 +ATOM 17919 C CE2 . TYR H 8 9 ? 57.137 -32.255 -48.560 1.00 91.58 ? 9 TYR I CE2 1 +ATOM 17920 C CZ . TYR H 8 9 ? 55.876 -31.749 -48.808 1.00 80.28 ? 9 TYR I CZ 1 +ATOM 17921 O OH . TYR H 8 9 ? 55.259 -31.947 -50.021 1.00 82.01 ? 9 TYR I OH 1 +ATOM 17922 N N . ILE H 8 10 ? 58.315 -30.945 -41.918 1.00 59.15 ? 10 ILE I N 1 +ATOM 17923 C CA . ILE H 8 10 ? 59.113 -31.280 -40.745 1.00 57.57 ? 10 ILE I CA 1 +ATOM 17924 C C . ILE H 8 10 ? 58.229 -31.867 -39.647 1.00 66.44 ? 10 ILE I C 1 +ATOM 17925 O O . ILE H 8 10 ? 58.577 -32.880 -39.019 1.00 66.29 ? 10 ILE I O 1 +ATOM 17926 C CB . ILE H 8 10 ? 59.880 -30.032 -40.262 1.00 63.06 ? 10 ILE I CB 1 +ATOM 17927 C CG1 . ILE H 8 10 ? 61.017 -29.696 -41.239 1.00 58.77 ? 10 ILE I CG1 1 +ATOM 17928 C CG2 . ILE H 8 10 ? 60.384 -30.215 -38.843 1.00 59.77 ? 10 ILE I CG2 1 +ATOM 17929 C CD1 . ILE H 8 10 ? 61.726 -28.404 -40.930 1.00 60.77 ? 10 ILE I CD1 1 +ATOM 17930 N N . VAL H 8 11 ? 57.070 -31.248 -39.397 1.00 59.28 ? 11 VAL I N 1 +ATOM 17931 C CA . VAL H 8 11 ? 56.180 -31.750 -38.346 1.00 57.86 ? 11 VAL I CA 1 +ATOM 17932 C C . VAL H 8 11 ? 55.749 -33.180 -38.649 1.00 60.55 ? 11 VAL I C 1 +ATOM 17933 O O . VAL H 8 11 ? 55.828 -34.068 -37.789 1.00 57.67 ? 11 VAL I O 1 +ATOM 17934 C CB . VAL H 8 11 ? 54.970 -30.815 -38.168 1.00 64.79 ? 11 VAL I CB 1 +ATOM 17935 C CG1 . VAL H 8 11 ? 53.843 -31.520 -37.415 1.00 61.41 ? 11 VAL I CG1 1 +ATOM 17936 C CG2 . VAL H 8 11 ? 55.388 -29.555 -37.436 1.00 57.70 ? 11 VAL I CG2 1 +ATOM 17937 N N . VAL H 8 12 ? 55.303 -33.431 -39.883 1.00 59.27 ? 12 VAL I N 1 +ATOM 17938 C CA . VAL H 8 12 ? 54.829 -34.768 -40.235 1.00 57.02 ? 12 VAL I CA 1 +ATOM 17939 C C . VAL H 8 12 ? 55.959 -35.780 -40.109 1.00 66.30 ? 12 VAL I C 1 +ATOM 17940 O O . VAL H 8 12 ? 55.776 -36.873 -39.555 1.00 69.22 ? 12 VAL I O 1 +ATOM 17941 C CB . VAL H 8 12 ? 54.222 -34.765 -41.655 1.00 65.28 ? 12 VAL I CB 1 +ATOM 17942 C CG1 . VAL H 8 12 ? 53.943 -36.182 -42.125 1.00 59.90 ? 12 VAL I CG1 1 +ATOM 17943 C CG2 . VAL H 8 12 ? 52.954 -33.928 -41.701 1.00 51.91 ? 12 VAL I CG2 1 +ATOM 17944 N N . THR H 8 13 ? 57.145 -35.426 -40.605 1.00 55.67 ? 13 THR I N 1 +ATOM 17945 C CA . THR H 8 13 ? 58.290 -36.326 -40.504 1.00 65.61 ? 13 THR I CA 1 +ATOM 17946 C C . THR H 8 13 ? 58.614 -36.643 -39.047 1.00 65.26 ? 13 THR I C 1 +ATOM 17947 O O . THR H 8 13 ? 58.863 -37.802 -38.695 1.00 61.32 ? 13 THR I O 1 +ATOM 17948 C CB . THR H 8 13 ? 59.499 -35.709 -41.218 1.00 65.78 ? 13 THR I CB 1 +ATOM 17949 O OG1 . THR H 8 13 ? 59.186 -35.540 -42.605 1.00 61.98 ? 13 THR I OG1 1 +ATOM 17950 C CG2 . THR H 8 13 ? 60.724 -36.596 -41.102 1.00 62.94 ? 13 THR I CG2 1 +ATOM 17951 N N . PHE H 8 14 ? 58.587 -35.628 -38.182 1.00 60.34 ? 14 PHE I N 1 +ATOM 17952 C CA . PHE H 8 14 ? 58.837 -35.848 -36.761 1.00 59.00 ? 14 PHE I CA 1 +ATOM 17953 C C . PHE H 8 14 ? 57.898 -36.912 -36.184 1.00 72.60 ? 14 PHE I C 1 +ATOM 17954 O O . PHE H 8 14 ? 58.347 -37.886 -35.556 1.00 63.51 ? 14 PHE I O 1 +ATOM 17955 C CB . PHE H 8 14 ? 58.708 -34.519 -36.004 1.00 51.81 ? 14 PHE I CB 1 +ATOM 17956 C CG . PHE H 8 14 ? 58.795 -34.659 -34.506 1.00 64.28 ? 14 PHE I CG 1 +ATOM 17957 C CD1 . PHE H 8 14 ? 59.998 -34.973 -33.893 1.00 68.09 ? 14 PHE I CD1 1 +ATOM 17958 C CD2 . PHE H 8 14 ? 57.676 -34.475 -33.716 1.00 66.61 ? 14 PHE I CD2 1 +ATOM 17959 C CE1 . PHE H 8 14 ? 60.081 -35.115 -32.511 1.00 71.58 ? 14 PHE I CE1 1 +ATOM 17960 C CE2 . PHE H 8 14 ? 57.744 -34.612 -32.337 1.00 74.66 ? 14 PHE I CE2 1 +ATOM 17961 C CZ . PHE H 8 14 ? 58.949 -34.933 -31.730 1.00 68.03 ? 14 PHE I CZ 1 +ATOM 17962 N N . PHE H 8 15 ? 56.590 -36.766 -36.406 1.00 57.20 ? 15 PHE I N 1 +ATOM 17963 C CA . PHE H 8 15 ? 55.671 -37.728 -35.798 1.00 69.59 ? 15 PHE I CA 1 +ATOM 17964 C C . PHE H 8 15 ? 55.764 -39.110 -36.452 1.00 53.36 ? 15 PHE I C 1 +ATOM 17965 O O . PHE H 8 15 ? 55.610 -40.120 -35.765 1.00 61.58 ? 15 PHE I O 1 +ATOM 17966 C CB . PHE H 8 15 ? 54.229 -37.188 -35.813 1.00 52.07 ? 15 PHE I CB 1 +ATOM 17967 C CG . PHE H 8 15 ? 53.973 -36.079 -34.796 1.00 60.14 ? 15 PHE I CG 1 +ATOM 17968 C CD1 . PHE H 8 15 ? 53.695 -36.377 -33.466 1.00 51.59 ? 15 PHE I CD1 1 +ATOM 17969 C CD2 . PHE H 8 15 ? 54.018 -34.745 -35.176 1.00 54.35 ? 15 PHE I CD2 1 +ATOM 17970 C CE1 . PHE H 8 15 ? 53.466 -35.368 -32.538 1.00 54.93 ? 15 PHE I CE1 1 +ATOM 17971 C CE2 . PHE H 8 15 ? 53.782 -33.721 -34.248 1.00 59.86 ? 15 PHE I CE2 1 +ATOM 17972 C CZ . PHE H 8 15 ? 53.509 -34.033 -32.934 1.00 51.48 ? 15 PHE I CZ 1 +ATOM 17973 N N . VAL H 8 16 ? 56.033 -39.194 -37.756 1.00 64.24 ? 16 VAL I N 1 +ATOM 17974 C CA . VAL H 8 16 ? 56.158 -40.513 -38.374 1.00 61.24 ? 16 VAL I CA 1 +ATOM 17975 C C . VAL H 8 16 ? 57.343 -41.274 -37.786 1.00 66.53 ? 16 VAL I C 1 +ATOM 17976 O O . VAL H 8 16 ? 57.262 -42.486 -37.533 1.00 63.63 ? 16 VAL I O 1 +ATOM 17977 C CB . VAL H 8 16 ? 56.265 -40.390 -39.905 1.00 68.75 ? 16 VAL I CB 1 +ATOM 17978 C CG1 . VAL H 8 16 ? 56.510 -41.767 -40.523 1.00 67.39 ? 16 VAL I CG1 1 +ATOM 17979 C CG2 . VAL H 8 16 ? 54.999 -39.802 -40.465 1.00 57.71 ? 16 VAL I CG2 1 +ATOM 17980 N N . LEU H 8 17 ? 58.454 -40.576 -37.542 1.00 60.68 ? 17 LEU I N 1 +ATOM 17981 C CA . LEU H 8 17 ? 59.638 -41.225 -36.986 1.00 63.43 ? 17 LEU I CA 1 +ATOM 17982 C C . LEU H 8 17 ? 59.380 -41.747 -35.578 1.00 59.04 ? 17 LEU I C 1 +ATOM 17983 O O . LEU H 8 17 ? 59.845 -42.836 -35.223 1.00 62.30 ? 17 LEU I O 1 +ATOM 17984 C CB . LEU H 8 17 ? 60.812 -40.249 -36.994 1.00 69.57 ? 17 LEU I CB 1 +ATOM 17985 C CG . LEU H 8 17 ? 61.335 -39.932 -38.393 1.00 67.90 ? 17 LEU I CG 1 +ATOM 17986 C CD1 . LEU H 8 17 ? 62.263 -38.736 -38.353 1.00 70.70 ? 17 LEU I CD1 1 +ATOM 17987 C CD2 . LEU H 8 17 ? 62.035 -41.153 -38.961 1.00 67.22 ? 17 LEU I CD2 1 +ATOM 17988 N N . LEU H 8 18 ? 58.650 -40.981 -34.762 1.00 58.62 ? 18 LEU I N 1 +ATOM 17989 C CA . LEU H 8 18 ? 58.278 -41.447 -33.430 1.00 51.72 ? 18 LEU I CA 1 +ATOM 17990 C C . LEU H 8 18 ? 57.483 -42.736 -33.522 1.00 59.53 ? 18 LEU I C 1 +ATOM 17991 O O . LEU H 8 18 ? 57.747 -43.706 -32.796 1.00 60.44 ? 18 LEU I O 1 +ATOM 17992 C CB . LEU H 8 18 ? 57.464 -40.370 -32.700 1.00 58.52 ? 18 LEU I CB 1 +ATOM 17993 C CG . LEU H 8 18 ? 58.149 -39.058 -32.300 1.00 74.59 ? 18 LEU I CG 1 +ATOM 17994 C CD1 . LEU H 8 18 ? 57.178 -38.073 -31.635 1.00 64.85 ? 18 LEU I CD1 1 +ATOM 17995 C CD2 . LEU H 8 18 ? 59.343 -39.303 -31.387 1.00 72.17 ? 18 LEU I CD2 1 +ATOM 17996 N N . PHE H 8 19 ? 56.497 -42.761 -34.417 1.00 60.92 ? 19 PHE I N 1 +ATOM 17997 C CA . PHE H 8 19 ? 55.705 -43.965 -34.634 1.00 56.48 ? 19 PHE I CA 1 +ATOM 17998 C C . PHE H 8 19 ? 56.601 -45.150 -34.980 1.00 59.69 ? 19 PHE I C 1 +ATOM 17999 O O . PHE H 8 19 ? 56.518 -46.213 -34.349 1.00 57.44 ? 19 PHE I O 1 +ATOM 18000 C CB . PHE H 8 19 ? 54.672 -43.702 -35.743 1.00 57.86 ? 19 PHE I CB 1 +ATOM 18001 C CG . PHE H 8 19 ? 53.756 -44.863 -36.018 1.00 54.69 ? 19 PHE I CG 1 +ATOM 18002 C CD1 . PHE H 8 19 ? 54.029 -45.744 -37.052 1.00 53.73 ? 19 PHE I CD1 1 +ATOM 18003 C CD2 . PHE H 8 19 ? 52.630 -45.077 -35.235 1.00 51.88 ? 19 PHE I CD2 1 +ATOM 18004 C CE1 . PHE H 8 19 ? 53.195 -46.826 -37.304 1.00 54.41 ? 19 PHE I CE1 1 +ATOM 18005 C CE2 . PHE H 8 19 ? 51.784 -46.145 -35.483 1.00 56.52 ? 19 PHE I CE2 1 +ATOM 18006 C CZ . PHE H 8 19 ? 52.069 -47.025 -36.526 1.00 60.80 ? 19 PHE I CZ 1 +ATOM 18007 N N . VAL H 8 20 ? 57.478 -44.976 -35.971 1.00 52.24 ? 20 VAL I N 1 +ATOM 18008 C CA . VAL H 8 20 ? 58.267 -46.098 -36.477 1.00 63.20 ? 20 VAL I CA 1 +ATOM 18009 C C . VAL H 8 20 ? 59.273 -46.566 -35.428 1.00 60.40 ? 20 VAL I C 1 +ATOM 18010 O O . VAL H 8 20 ? 59.334 -47.756 -35.094 1.00 60.51 ? 20 VAL I O 1 +ATOM 18011 C CB . VAL H 8 20 ? 58.958 -45.720 -37.806 1.00 60.93 ? 20 VAL I CB 1 +ATOM 18012 C CG1 . VAL H 8 20 ? 59.909 -46.825 -38.235 1.00 65.29 ? 20 VAL I CG1 1 +ATOM 18013 C CG2 . VAL H 8 20 ? 57.917 -45.459 -38.897 1.00 49.21 ? 20 VAL I CG2 1 +ATOM 18014 N N . PHE H 8 21 ? 60.073 -45.641 -34.884 1.00 53.42 ? 21 PHE I N 1 +ATOM 18015 C CA . PHE H 8 21 ? 61.022 -46.031 -33.842 1.00 62.22 ? 21 PHE I CA 1 +ATOM 18016 C C . PHE H 8 21 ? 60.306 -46.536 -32.597 1.00 62.13 ? 21 PHE I C 1 +ATOM 18017 O O . PHE H 8 21 ? 60.829 -47.407 -31.890 1.00 63.60 ? 21 PHE I O 1 +ATOM 18018 C CB . PHE H 8 21 ? 61.951 -44.866 -33.500 1.00 59.78 ? 21 PHE I CB 1 +ATOM 18019 C CG . PHE H 8 21 ? 62.919 -44.547 -34.595 1.00 74.91 ? 21 PHE I CG 1 +ATOM 18020 C CD1 . PHE H 8 21 ? 63.713 -45.547 -35.139 1.00 93.48 ? 21 PHE I CD1 1 +ATOM 18021 C CD2 . PHE H 8 21 ? 63.001 -43.265 -35.121 1.00 84.76 ? 21 PHE I CD2 1 +ATOM 18022 C CE1 . PHE H 8 21 ? 64.598 -45.269 -36.173 1.00 94.66 ? 21 PHE I CE1 1 +ATOM 18023 C CE2 . PHE H 8 21 ? 63.881 -42.976 -36.150 1.00 88.12 ? 21 PHE I CE2 1 +ATOM 18024 C CZ . PHE H 8 21 ? 64.680 -43.985 -36.679 1.00 80.81 ? 21 PHE I CZ 1 +ATOM 18025 N N . GLY H 8 22 ? 59.115 -46.010 -32.316 1.00 64.02 ? 22 GLY I N 1 +ATOM 18026 C CA . GLY H 8 22 ? 58.321 -46.496 -31.205 1.00 53.41 ? 22 GLY I CA 1 +ATOM 18027 C C . GLY H 8 22 ? 58.041 -47.980 -31.307 1.00 60.70 ? 22 GLY I C 1 +ATOM 18028 O O . GLY H 8 22 ? 58.401 -48.740 -30.401 1.00 63.32 ? 22 GLY I O 1 +ATOM 18029 N N . PHE H 8 23 ? 57.409 -48.413 -32.408 1.00 57.68 ? 23 PHE I N 1 +ATOM 18030 C CA . PHE H 8 23 ? 57.135 -49.835 -32.589 1.00 58.34 ? 23 PHE I CA 1 +ATOM 18031 C C . PHE H 8 23 ? 58.399 -50.659 -32.806 1.00 65.52 ? 23 PHE I C 1 +ATOM 18032 O O . PHE H 8 23 ? 58.384 -51.861 -32.530 1.00 67.35 ? 23 PHE I O 1 +ATOM 18033 C CB . PHE H 8 23 ? 56.165 -50.068 -33.756 1.00 66.78 ? 23 PHE I CB 1 +ATOM 18034 C CG . PHE H 8 23 ? 54.716 -49.951 -33.367 1.00 64.36 ? 23 PHE I CG 1 +ATOM 18035 C CD1 . PHE H 8 23 ? 54.171 -50.796 -32.411 1.00 58.13 ? 23 PHE I CD1 1 +ATOM 18036 C CD2 . PHE H 8 23 ? 53.905 -48.976 -33.937 1.00 59.15 ? 23 PHE I CD2 1 +ATOM 18037 C CE1 . PHE H 8 23 ? 52.840 -50.689 -32.038 1.00 54.23 ? 23 PHE I CE1 1 +ATOM 18038 C CE2 . PHE H 8 23 ? 52.567 -48.864 -33.572 1.00 56.15 ? 23 PHE I CE2 1 +ATOM 18039 C CZ . PHE H 8 23 ? 52.036 -49.720 -32.622 1.00 52.27 ? 23 PHE I CZ 1 +ATOM 18040 N N . LEU H 8 24 ? 59.491 -50.059 -33.282 1.00 56.28 ? 24 LEU I N 1 +ATOM 18041 C CA . LEU H 8 24 ? 60.758 -50.780 -33.328 1.00 60.53 ? 24 LEU I CA 1 +ATOM 18042 C C . LEU H 8 24 ? 61.386 -51.010 -31.950 1.00 72.63 ? 24 LEU I C 1 +ATOM 18043 O O . LEU H 8 24 ? 62.355 -51.775 -31.858 1.00 76.90 ? 24 LEU I O 1 +ATOM 18044 C CB . LEU H 8 24 ? 61.763 -50.034 -34.202 1.00 66.30 ? 24 LEU I CB 1 +ATOM 18045 C CG . LEU H 8 24 ? 61.638 -50.096 -35.723 1.00 71.31 ? 24 LEU I CG 1 +ATOM 18046 C CD1 . LEU H 8 24 ? 62.675 -49.176 -36.381 1.00 66.03 ? 24 LEU I CD1 1 +ATOM 18047 C CD2 . LEU H 8 24 ? 61.780 -51.521 -36.201 1.00 63.77 ? 24 LEU I CD2 1 +ATOM 18048 N N . SER H 8 25 ? 60.874 -50.392 -30.885 1.00 59.73 ? 25 SER I N 1 +ATOM 18049 C CA . SER H 8 25 ? 61.562 -50.386 -29.590 1.00 55.58 ? 25 SER I CA 1 +ATOM 18050 C C . SER H 8 25 ? 61.028 -51.476 -28.660 1.00 60.17 ? 25 SER I C 1 +ATOM 18051 O O . SER H 8 25 ? 60.530 -51.215 -27.560 1.00 70.20 ? 25 SER I O 1 +ATOM 18052 C CB . SER H 8 25 ? 61.447 -49.011 -28.943 1.00 56.72 ? 25 SER I CB 1 +ATOM 18053 O OG . SER H 8 25 ? 62.243 -48.063 -29.621 1.00 66.86 ? 25 SER I OG 1 +ATOM 18054 N N . GLY H 8 26 ? 61.169 -52.720 -29.103 1.00 65.28 ? 26 GLY I N 1 +ATOM 18055 C CA . GLY H 8 26 ? 60.777 -53.857 -28.285 1.00 66.58 ? 26 GLY I CA 1 +ATOM 18056 C C . GLY H 8 26 ? 59.302 -53.905 -27.955 1.00 68.26 ? 26 GLY I C 1 +ATOM 18057 O O . GLY H 8 26 ? 58.925 -54.365 -26.871 1.00 69.92 ? 26 GLY I O 1 +ATOM 18058 N N . ASP H 8 27 ? 58.452 -53.465 -28.879 1.00 71.60 ? 27 ASP I N 1 +ATOM 18059 C CA . ASP H 8 27 ? 57.027 -53.399 -28.574 1.00 69.12 ? 27 ASP I CA 1 +ATOM 18060 C C . ASP H 8 27 ? 56.394 -54.740 -28.200 1.00 59.03 ? 27 ASP I C 1 +ATOM 18061 O O . ASP H 8 27 ? 55.537 -54.748 -27.299 1.00 55.00 ? 27 ASP I O 1 +ATOM 18062 C CB . ASP H 8 27 ? 56.267 -52.774 -29.746 1.00 63.96 ? 27 ASP I CB 1 +ATOM 18063 C CG . ASP H 8 27 ? 54.859 -52.434 -29.366 1.00 62.38 ? 27 ASP I CG 1 +ATOM 18064 O OD1 . ASP H 8 27 ? 54.673 -51.382 -28.721 1.00 55.21 ? 27 ASP I OD1 1 +ATOM 18065 O OD2 . ASP H 8 27 ? 53.958 -53.244 -29.652 1.00 57.28 ? 27 ASP I OD2 1 +ATOM 18066 N N . PRO H 8 28 ? 56.712 -55.871 -28.844 1.00 58.99 ? 28 PRO I N 1 +ATOM 18067 C CA . PRO H 8 28 ? 56.108 -57.143 -28.396 1.00 63.70 ? 28 PRO I CA 1 +ATOM 18068 C C . PRO H 8 28 ? 56.294 -57.412 -26.913 1.00 68.74 ? 28 PRO I C 1 +ATOM 18069 O O . PRO H 8 28 ? 55.427 -58.035 -26.283 1.00 63.22 ? 28 PRO I O 1 +ATOM 18070 C CB . PRO H 8 28 ? 56.828 -58.189 -29.254 1.00 67.85 ? 28 PRO I CB 1 +ATOM 18071 C CG . PRO H 8 28 ? 57.186 -57.441 -30.515 1.00 59.24 ? 28 PRO I CG 1 +ATOM 18072 C CD . PRO H 8 28 ? 57.515 -56.050 -30.073 1.00 57.07 ? 28 PRO I CD 1 +ATOM 18073 N N . ALA H 8 29 ? 57.380 -56.910 -26.323 1.00 58.70 ? 29 ALA I N 1 +ATOM 18074 C CA . ALA H 8 29 ? 57.658 -57.165 -24.921 1.00 70.64 ? 29 ALA I CA 1 +ATOM 18075 C C . ALA H 8 29 ? 56.829 -56.289 -23.983 1.00 68.76 ? 29 ALA I C 1 +ATOM 18076 O O . ALA H 8 29 ? 56.817 -56.549 -22.775 1.00 59.90 ? 29 ALA I O 1 +ATOM 18077 C CB . ALA H 8 29 ? 59.153 -56.970 -24.657 1.00 55.83 ? 29 ALA I CB 1 +ATOM 18078 N N . ARG H 8 30 ? 56.128 -55.278 -24.508 1.00 62.41 ? 30 ARG I N 1 +ATOM 18079 C CA . ARG H 8 30 ? 55.321 -54.372 -23.684 1.00 57.40 ? 30 ARG I CA 1 +ATOM 18080 C C . ARG H 8 30 ? 53.893 -54.910 -23.583 1.00 58.50 ? 30 ARG I C 1 +ATOM 18081 O O . ARG H 8 30 ? 52.941 -54.399 -24.181 1.00 64.20 ? 30 ARG I O 1 +ATOM 18082 C CB . ARG H 8 30 ? 55.343 -52.960 -24.251 1.00 57.50 ? 30 ARG I CB 1 +ATOM 18083 C CG . ARG H 8 30 ? 56.695 -52.310 -24.269 1.00 56.09 ? 30 ARG I CG 1 +ATOM 18084 C CD . ARG H 8 30 ? 56.585 -50.952 -24.943 1.00 60.12 ? 30 ARG I CD 1 +ATOM 18085 N NE . ARG H 8 30 ? 57.887 -50.458 -25.366 1.00 69.10 ? 30 ARG I NE 1 +ATOM 18086 C CZ . ARG H 8 30 ? 58.741 -49.834 -24.567 1.00 70.24 ? 30 ARG I CZ 1 +ATOM 18087 N NH1 . ARG H 8 30 ? 58.433 -49.564 -23.308 1.00 61.90 ? 30 ARG I NH1 1 +ATOM 18088 N NH2 . ARG H 8 30 ? 59.937 -49.489 -25.038 1.00 66.32 ? 30 ARG I NH2 1 +ATOM 18089 N N . ASN H 8 31 ? 53.770 -55.967 -22.798 1.00 49.91 ? 31 ASN I N 1 +ATOM 18090 C CA . ASN H 8 31 ? 52.511 -56.625 -22.490 1.00 62.15 ? 31 ASN I CA 1 +ATOM 18091 C C . ASN H 8 31 ? 52.607 -57.121 -21.056 1.00 61.92 ? 31 ASN I C 1 +ATOM 18092 O O . ASN H 8 31 ? 53.710 -57.215 -20.507 1.00 62.58 ? 31 ASN I O 1 +ATOM 18093 C CB . ASN H 8 31 ? 52.233 -57.781 -23.460 1.00 52.61 ? 31 ASN I CB 1 +ATOM 18094 C CG . ASN H 8 31 ? 53.109 -58.973 -23.199 1.00 66.09 ? 31 ASN I CG 1 +ATOM 18095 O OD1 . ASN H 8 31 ? 52.758 -59.843 -22.398 1.00 60.32 ? 31 ASN I OD1 1 +ATOM 18096 N ND2 . ASN H 8 31 ? 54.260 -59.020 -23.860 1.00 55.21 ? 31 ASN I ND2 1 +ATOM 18097 N N . PRO H 8 32 ? 51.478 -57.411 -20.406 1.00 66.89 ? 32 PRO I N 1 +ATOM 18098 C CA . PRO H 8 32 ? 51.539 -57.712 -18.972 1.00 59.90 ? 32 PRO I CA 1 +ATOM 18099 C C . PRO H 8 32 ? 51.979 -59.135 -18.656 1.00 65.78 ? 32 PRO I C 1 +ATOM 18100 O O . PRO H 8 32 ? 52.303 -59.411 -17.498 1.00 69.23 ? 32 PRO I O 1 +ATOM 18101 C CB . PRO H 8 32 ? 50.104 -57.452 -18.509 1.00 59.87 ? 32 PRO I CB 1 +ATOM 18102 C CG . PRO H 8 32 ? 49.273 -57.823 -19.706 1.00 54.40 ? 32 PRO I CG 1 +ATOM 18103 C CD . PRO H 8 32 ? 50.089 -57.427 -20.910 1.00 60.08 ? 32 PRO I CD 1 +ATOM 18104 N N . LYS H 8 33 ? 52.025 -60.033 -19.642 1.00 69.11 ? 33 LYS I N 1 +ATOM 18105 C CA . LYS H 8 33 ? 52.343 -61.442 -19.422 1.00 72.14 ? 33 LYS I CA 1 +ATOM 18106 C C . LYS H 8 33 ? 53.777 -61.767 -19.848 1.00 76.59 ? 33 LYS I C 1 +ATOM 18107 O O . LYS H 8 33 ? 54.728 -61.371 -19.173 1.00 115.03 ? 33 LYS I O 1 +ATOM 18108 C CB . LYS H 8 33 ? 51.344 -62.321 -20.174 1.00 65.17 ? 33 LYS I CB 1 +ATOM 18109 C CG . LYS H 8 33 ? 50.380 -63.110 -19.306 1.00 85.81 ? 33 LYS I CG 1 +ATOM 18110 C CD . LYS H 8 33 ? 49.496 -62.176 -18.476 1.00 106.79 ? 33 LYS I CD 1 +ATOM 18111 C CE . LYS H 8 33 ? 48.451 -62.958 -17.667 1.00 94.88 ? 33 LYS I CE 1 +ATOM 18112 N NZ . LYS H 8 33 ? 48.590 -62.747 -16.205 1.00 78.80 ? 33 LYS I NZ 1 +ATOM 18113 N N . ARG H 8 34 ? 53.952 -62.456 -20.972 1.00 89.66 ? 34 ARG I N 1 +ATOM 18114 C CA . ARG H 8 34 ? 55.273 -62.896 -21.420 1.00 94.56 ? 34 ARG I CA 1 +ATOM 18115 C C . ARG H 8 34 ? 56.073 -61.756 -22.045 1.00 105.43 ? 34 ARG I C 1 +ATOM 18116 O O . ARG H 8 34 ? 55.726 -61.276 -23.129 1.00 112.96 ? 34 ARG I O 1 +ATOM 18117 C CB . ARG H 8 34 ? 55.131 -64.023 -22.435 1.00 94.49 ? 34 ARG I CB 1 +ATOM 18118 C CG . ARG H 8 34 ? 55.359 -65.399 -21.875 1.00 116.63 ? 34 ARG I CG 1 +ATOM 18119 C CD . ARG H 8 34 ? 54.048 -66.106 -21.620 1.00 122.16 ? 34 ARG I CD 1 +ATOM 18120 N NE . ARG H 8 34 ? 54.198 -67.537 -21.849 1.00 152.86 ? 34 ARG I NE 1 +ATOM 18121 C CZ . ARG H 8 34 ? 54.130 -68.106 -23.043 1.00 146.99 ? 34 ARG I CZ 1 +ATOM 18122 N NH1 . ARG H 8 34 ? 53.871 -67.396 -24.131 1.00 117.13 ? 34 ARG I NH1 1 +ATOM 18123 N NH2 . ARG H 8 34 ? 54.332 -69.419 -23.150 1.00 164.82 ? 34 ARG I NH2 1 +ATOM 18124 N N . LYS H 8 35 ? 57.178 -61.365 -21.402 1.00 96.39 ? 35 LYS I N 1 +ATOM 18125 C CA . LYS H 8 35 ? 58.099 -60.418 -22.027 1.00 96.59 ? 35 LYS I CA 1 +ATOM 18126 C C . LYS H 8 35 ? 58.964 -61.088 -23.094 1.00 121.99 ? 35 LYS I C 1 +ATOM 18127 O O . LYS H 8 35 ? 58.991 -60.645 -24.248 1.00 121.74 ? 35 LYS I O 1 +ATOM 18128 C CB . LYS H 8 35 ? 58.988 -59.760 -20.977 1.00 67.67 ? 35 LYS I CB 1 +ATOM 18129 C CG . LYS H 8 35 ? 58.401 -58.525 -20.352 1.00 82.16 ? 35 LYS I CG 1 +ATOM 18130 C CD . LYS H 8 35 ? 57.176 -58.840 -19.521 1.00 94.08 ? 35 LYS I CD 1 +ATOM 18131 C CE . LYS H 8 35 ? 56.771 -57.656 -18.658 1.00 78.21 ? 35 LYS I CE 1 +ATOM 18132 N NZ . LYS H 8 35 ? 55.587 -58.011 -17.835 1.00 98.57 ? 35 LYS I NZ 1 +ATOM 18133 N N . ASP H 8 36 ? 59.678 -62.153 -22.726 1.00 140.78 ? 36 ASP I N 1 +ATOM 18134 C CA . ASP H 8 36 ? 60.661 -62.772 -23.611 1.00 161.87 ? 36 ASP I CA 1 +ATOM 18135 C C . ASP H 8 36 ? 60.072 -63.163 -24.965 1.00 173.11 ? 36 ASP I C 1 +ATOM 18136 O O . ASP H 8 36 ? 59.712 -64.326 -25.186 1.00 168.38 ? 36 ASP I O 1 +ATOM 18137 C CB . ASP H 8 36 ? 61.283 -63.996 -22.931 1.00 167.49 ? 36 ASP I CB 1 +ATOM 18138 C CG . ASP H 8 36 ? 60.243 -64.929 -22.345 1.00 178.33 ? 36 ASP I CG 1 +ATOM 18139 O OD1 . ASP H 8 36 ? 59.262 -64.425 -21.758 1.00 178.16 ? 36 ASP I OD1 1 +ATOM 18140 O OD2 . ASP H 8 36 ? 60.400 -66.163 -22.479 1.00 182.74 ? 36 ASP I OD2 1 +ATOM 18141 N N . LEU H 8 37 ? 59.980 -62.195 -25.879 1.00 154.15 ? 37 LEU I N 1 +ATOM 18142 C CA . LEU H 8 37 ? 59.497 -62.422 -27.241 1.00 149.91 ? 37 LEU I CA 1 +ATOM 18143 C C . LEU H 8 37 ? 60.555 -61.910 -28.216 1.00 148.59 ? 37 LEU I C 1 +ATOM 18144 O O . LEU H 8 37 ? 60.738 -60.694 -28.349 1.00 146.70 ? 37 LEU I O 1 +ATOM 18145 C CB . LEU H 8 37 ? 58.145 -61.733 -27.467 1.00 133.45 ? 37 LEU I CB 1 +ATOM 18146 C CG . LEU H 8 37 ? 56.930 -62.335 -26.743 1.00 103.17 ? 37 LEU I CG 1 +ATOM 18147 C CD1 . LEU H 8 37 ? 55.685 -61.468 -26.870 1.00 79.24 ? 37 LEU I CD1 1 +ATOM 18148 C CD2 . LEU H 8 37 ? 56.650 -63.728 -27.275 1.00 102.31 ? 37 LEU I CD2 1 +ATOM 18149 N N . GLU H 8 38 ? 61.243 -62.838 -28.892 1.00 138.44 ? 38 GLU I N 1 +ATOM 18150 C CA . GLU H 8 38 ? 62.392 -62.541 -29.764 1.00 105.00 ? 38 GLU I CA 1 +ATOM 18151 C C . GLU H 8 38 ? 62.916 -63.831 -30.431 1.00 124.42 ? 38 GLU I C 1 +ATOM 18152 O O . GLU H 8 38 ? 62.287 -64.897 -30.347 1.00 108.20 ? 38 GLU I O 1 +ATOM 18153 C CB . GLU H 8 38 ? 63.521 -61.865 -28.968 1.00 122.14 ? 38 GLU I CB 1 +ATOM 18154 C CG . GLU H 8 38 ? 64.678 -61.333 -29.816 1.00 123.50 ? 38 GLU I CG 1 +ATOM 18155 C CD . GLU H 8 38 ? 65.855 -60.847 -28.989 1.00 142.16 ? 38 GLU I CD 1 +ATOM 18156 O OE1 . GLU H 8 38 ? 65.698 -60.706 -27.754 1.00 143.83 ? 38 GLU I OE1 1 +ATOM 18157 O OE2 . GLU H 8 38 ? 66.934 -60.608 -29.581 1.00 134.64 ? 38 GLU I OE2 1 +ATOM 18158 O OXT . GLU H 8 38 ? 63.975 -63.867 -31.074 1.00 100.55 ? 38 GLU I OXT 1 +ATOM 18159 N N . SER I 9 2 ? 10.463 -96.631 -39.847 1.00 88.12 ? 2 SER J N 1 +ATOM 18160 C CA . SER I 9 2 ? 9.812 -97.080 -38.626 1.00 118.63 ? 2 SER J CA 1 +ATOM 18161 C C . SER I 9 2 ? 10.540 -96.496 -37.420 1.00 141.96 ? 2 SER J C 1 +ATOM 18162 O O . SER I 9 2 ? 10.115 -95.489 -36.834 1.00 112.80 ? 2 SER J O 1 +ATOM 18163 C CB . SER I 9 2 ? 9.793 -98.612 -38.549 1.00 122.29 ? 2 SER J CB 1 +ATOM 18164 O OG . SER I 9 2 ? 9.458 -99.189 -39.800 1.00 116.45 ? 2 SER J OG 1 +ATOM 18165 N N . GLU I 9 3 ? 11.649 -97.143 -37.062 1.00 186.51 ? 3 GLU J N 1 +ATOM 18166 C CA . GLU I 9 3 ? 12.504 -96.676 -35.979 1.00 190.37 ? 3 GLU J CA 1 +ATOM 18167 C C . GLU I 9 3 ? 13.448 -95.592 -36.493 1.00 162.65 ? 3 GLU J C 1 +ATOM 18168 O O . GLU I 9 3 ? 14.129 -95.777 -37.505 1.00 148.56 ? 3 GLU J O 1 +ATOM 18169 C CB . GLU I 9 3 ? 13.302 -97.842 -35.395 1.00 181.14 ? 3 GLU J CB 1 +ATOM 18170 C CG . GLU I 9 3 ? 14.202 -97.460 -34.235 1.00 185.48 ? 3 GLU J CG 1 +ATOM 18171 C CD . GLU I 9 3 ? 15.329 -98.449 -34.028 1.00 201.97 ? 3 GLU J CD 1 +ATOM 18172 O OE1 . GLU I 9 3 ? 15.481 -99.364 -34.869 1.00 200.06 ? 3 GLU J OE1 1 +ATOM 18173 O OE2 . GLU I 9 3 ? 16.065 -98.307 -33.028 1.00 194.38 ? 3 GLU J OE2 1 +ATOM 18174 N N . GLY I 9 4 ? 13.490 -94.466 -35.788 1.00 117.04 ? 4 GLY J N 1 +ATOM 18175 C CA . GLY I 9 4 ? 14.297 -93.344 -36.238 1.00 109.33 ? 4 GLY J CA 1 +ATOM 18176 C C . GLY I 9 4 ? 15.778 -93.616 -36.056 1.00 95.43 ? 4 GLY J C 1 +ATOM 18177 O O . GLY I 9 4 ? 16.238 -93.923 -34.951 1.00 135.59 ? 4 GLY J O 1 +ATOM 18178 N N . GLY I 9 5 ? 16.536 -93.491 -37.140 1.00 111.07 ? 5 GLY J N 1 +ATOM 18179 C CA . GLY I 9 5 ? 17.968 -93.715 -37.109 1.00 102.50 ? 5 GLY J CA 1 +ATOM 18180 C C . GLY I 9 5 ? 18.498 -94.326 -38.394 1.00 108.88 ? 5 GLY J C 1 +ATOM 18181 O O . GLY I 9 5 ? 19.696 -94.231 -38.687 1.00 104.13 ? 5 GLY J O 1 +ATOM 18182 N N . ARG I 9 6 ? 17.604 -94.935 -39.179 1.00 105.76 ? 6 ARG J N 1 +ATOM 18183 C CA . ARG I 9 6 ? 18.017 -95.744 -40.325 1.00 109.79 ? 6 ARG J CA 1 +ATOM 18184 C C . ARG I 9 6 ? 18.829 -94.924 -41.325 1.00 106.55 ? 6 ARG J C 1 +ATOM 18185 O O . ARG I 9 6 ? 19.971 -95.266 -41.652 1.00 107.45 ? 6 ARG J O 1 +ATOM 18186 C CB . ARG I 9 6 ? 16.788 -96.347 -41.009 1.00 109.55 ? 6 ARG J CB 1 +ATOM 18187 C CG . ARG I 9 6 ? 15.906 -97.156 -40.093 1.00 120.04 ? 6 ARG J CG 1 +ATOM 18188 C CD . ARG I 9 6 ? 15.813 -98.611 -40.551 1.00 144.20 ? 6 ARG J CD 1 +ATOM 18189 N NE . ARG I 9 6 ? 14.471 -99.151 -40.355 1.00 158.38 ? 6 ARG J NE 1 +ATOM 18190 C CZ . ARG I 9 6 ? 13.978 -99.554 -39.189 1.00 156.49 ? 6 ARG J CZ 1 +ATOM 18191 N NH1 . ARG I 9 6 ? 14.702 -99.518 -38.079 1.00 151.87 ? 6 ARG J NH1 1 +ATOM 18192 N NH2 . ARG I 9 6 ? 12.724 -99.997 -39.133 1.00 140.22 ? 6 ARG J NH2 1 +ATOM 18193 N N . ILE I 9 7 ? 18.254 -93.835 -41.821 1.00 98.64 ? 7 ILE J N 1 +ATOM 18194 C CA . ILE I 9 7 ? 18.873 -93.030 -42.873 1.00 84.41 ? 7 ILE J CA 1 +ATOM 18195 C C . ILE I 9 7 ? 19.778 -91.997 -42.211 1.00 84.82 ? 7 ILE J C 1 +ATOM 18196 O O . ILE I 9 7 ? 19.286 -91.184 -41.414 1.00 83.60 ? 7 ILE J O 1 +ATOM 18197 C CB . ILE I 9 7 ? 17.805 -92.352 -43.737 1.00 83.70 ? 7 ILE J CB 1 +ATOM 18198 C CG1 . ILE I 9 7 ? 16.692 -93.346 -44.054 1.00 85.77 ? 7 ILE J CG1 1 +ATOM 18199 C CG2 . ILE I 9 7 ? 18.426 -91.787 -45.006 1.00 81.79 ? 7 ILE J CG2 1 +ATOM 18200 C CD1 . ILE I 9 7 ? 15.675 -92.843 -45.037 1.00 89.61 ? 7 ILE J CD1 1 +ATOM 18201 N N . PRO I 9 8 ? 21.079 -91.977 -42.510 1.00 70.48 ? 8 PRO J N 1 +ATOM 18202 C CA . PRO I 9 8 ? 21.980 -91.024 -41.844 1.00 71.24 ? 8 PRO J CA 1 +ATOM 18203 C C . PRO I 9 8 ? 21.590 -89.574 -42.118 1.00 87.08 ? 8 PRO J C 1 +ATOM 18204 O O . PRO I 9 8 ? 21.198 -89.205 -43.230 1.00 70.77 ? 8 PRO J O 1 +ATOM 18205 C CB . PRO I 9 8 ? 23.356 -91.355 -42.440 1.00 79.79 ? 8 PRO J CB 1 +ATOM 18206 C CG . PRO I 9 8 ? 23.197 -92.704 -43.084 1.00 77.85 ? 8 PRO J CG 1 +ATOM 18207 C CD . PRO I 9 8 ? 21.773 -92.783 -43.523 1.00 84.29 ? 8 PRO J CD 1 +ATOM 18208 N N . LEU I 9 9 ? 21.708 -88.748 -41.076 1.00 74.48 ? 9 LEU J N 1 +ATOM 18209 C CA . LEU I 9 9 ? 21.279 -87.356 -41.170 1.00 83.22 ? 9 LEU J CA 1 +ATOM 18210 C C . LEU I 9 9 ? 22.086 -86.578 -42.210 1.00 67.60 ? 9 LEU J C 1 +ATOM 18211 O O . LEU I 9 9 ? 21.540 -85.712 -42.898 1.00 70.95 ? 9 LEU J O 1 +ATOM 18212 C CB . LEU I 9 9 ? 21.387 -86.696 -39.792 1.00 85.71 ? 9 LEU J CB 1 +ATOM 18213 C CG . LEU I 9 9 ? 20.549 -85.448 -39.523 1.00 73.55 ? 9 LEU J CG 1 +ATOM 18214 C CD1 . LEU I 9 9 ? 19.281 -85.455 -40.353 1.00 75.37 ? 9 LEU J CD1 1 +ATOM 18215 C CD2 . LEU I 9 9 ? 20.207 -85.408 -38.051 1.00 84.87 ? 9 LEU J CD2 1 +ATOM 18216 N N . TRP I 9 10 ? 23.384 -86.879 -42.344 1.00 65.98 ? 10 TRP J N 1 +ATOM 18217 C CA . TRP I 9 10 ? 24.222 -86.169 -43.307 1.00 63.48 ? 10 TRP J CA 1 +ATOM 18218 C C . TRP I 9 10 ? 23.767 -86.406 -44.742 1.00 70.69 ? 10 TRP J C 1 +ATOM 18219 O O . TRP I 9 10 ? 24.031 -85.576 -45.620 1.00 75.72 ? 10 TRP J O 1 +ATOM 18220 C CB . TRP I 9 10 ? 25.695 -86.567 -43.145 1.00 71.29 ? 10 TRP J CB 1 +ATOM 18221 C CG . TRP I 9 10 ? 26.079 -87.948 -43.672 1.00 88.96 ? 10 TRP J CG 1 +ATOM 18222 C CD1 . TRP I 9 10 ? 26.043 -89.123 -42.978 1.00 79.05 ? 10 TRP J CD1 1 +ATOM 18223 C CD2 . TRP I 9 10 ? 26.585 -88.278 -44.985 1.00 85.84 ? 10 TRP J CD2 1 +ATOM 18224 N NE1 . TRP I 9 10 ? 26.473 -90.162 -43.775 1.00 77.67 ? 10 TRP J NE1 1 +ATOM 18225 C CE2 . TRP I 9 10 ? 26.817 -89.676 -45.005 1.00 73.51 ? 10 TRP J CE2 1 +ATOM 18226 C CE3 . TRP I 9 10 ? 26.864 -87.531 -46.139 1.00 70.50 ? 10 TRP J CE3 1 +ATOM 18227 C CZ2 . TRP I 9 10 ? 27.309 -90.341 -46.129 1.00 68.44 ? 10 TRP J CZ2 1 +ATOM 18228 C CZ3 . TRP I 9 10 ? 27.350 -88.196 -47.264 1.00 77.00 ? 10 TRP J CZ3 1 +ATOM 18229 C CH2 . TRP I 9 10 ? 27.567 -89.590 -47.249 1.00 83.59 ? 10 TRP J CH2 1 +ATOM 18230 N N . ILE I 9 11 ? 23.096 -87.525 -45.008 1.00 74.61 ? 11 ILE J N 1 +ATOM 18231 C CA . ILE I 9 11 ? 22.589 -87.767 -46.353 1.00 71.01 ? 11 ILE J CA 1 +ATOM 18232 C C . ILE I 9 11 ? 21.265 -87.049 -46.548 1.00 69.44 ? 11 ILE J C 1 +ATOM 18233 O O . ILE I 9 11 ? 20.990 -86.517 -47.626 1.00 67.98 ? 11 ILE J O 1 +ATOM 18234 C CB . ILE I 9 11 ? 22.468 -89.282 -46.619 1.00 79.98 ? 11 ILE J CB 1 +ATOM 18235 C CG1 . ILE I 9 11 ? 23.853 -89.926 -46.635 1.00 73.14 ? 11 ILE J CG1 1 +ATOM 18236 C CG2 . ILE I 9 11 ? 21.730 -89.551 -47.934 1.00 69.12 ? 11 ILE J CG2 1 +ATOM 18237 C CD1 . ILE I 9 11 ? 23.837 -91.390 -46.964 1.00 80.78 ? 11 ILE J CD1 1 +ATOM 18238 N N . VAL I 9 12 ? 20.428 -87.024 -45.506 1.00 73.03 ? 12 VAL J N 1 +ATOM 18239 C CA . VAL I 9 12 ? 19.220 -86.202 -45.528 1.00 73.26 ? 12 VAL J CA 1 +ATOM 18240 C C . VAL I 9 12 ? 19.591 -84.756 -45.829 1.00 79.08 ? 12 VAL J C 1 +ATOM 18241 O O . VAL I 9 12 ? 19.083 -84.140 -46.775 1.00 70.51 ? 12 VAL J O 1 +ATOM 18242 C CB . VAL I 9 12 ? 18.472 -86.322 -44.184 1.00 82.91 ? 12 VAL J CB 1 +ATOM 18243 C CG1 . VAL I 9 12 ? 17.230 -85.416 -44.156 1.00 64.18 ? 12 VAL J CG1 1 +ATOM 18244 C CG2 . VAL I 9 12 ? 18.097 -87.780 -43.903 1.00 77.14 ? 12 VAL J CG2 1 +ATOM 18245 N N . ALA I 9 13 ? 20.507 -84.208 -45.028 1.00 67.33 ? 13 ALA J N 1 +ATOM 18246 C CA . ALA I 9 13 ? 20.953 -82.835 -45.205 1.00 70.19 ? 13 ALA J CA 1 +ATOM 18247 C C . ALA I 9 13 ? 21.466 -82.604 -46.620 1.00 75.13 ? 13 ALA J C 1 +ATOM 18248 O O . ALA I 9 13 ? 21.113 -81.598 -47.253 1.00 67.86 ? 13 ALA J O 1 +ATOM 18249 C CB . ALA I 9 13 ? 22.028 -82.506 -44.167 1.00 65.60 ? 13 ALA J CB 1 +ATOM 18250 N N . THR I 9 14 ? 22.269 -83.541 -47.148 1.00 62.37 ? 14 THR J N 1 +ATOM 18251 C CA . THR I 9 14 ? 22.843 -83.362 -48.482 1.00 62.16 ? 14 THR J CA 1 +ATOM 18252 C C . THR I 9 14 ? 21.770 -83.390 -49.567 1.00 73.07 ? 14 THR J C 1 +ATOM 18253 O O . THR I 9 14 ? 21.832 -82.615 -50.529 1.00 69.12 ? 14 THR J O 1 +ATOM 18254 C CB . THR I 9 14 ? 23.899 -84.430 -48.775 1.00 60.53 ? 14 THR J CB 1 +ATOM 18255 O OG1 . THR I 9 14 ? 24.951 -84.362 -47.807 1.00 74.46 ? 14 THR J OG1 1 +ATOM 18256 C CG2 . THR I 9 14 ? 24.495 -84.227 -50.171 1.00 62.00 ? 14 THR J CG2 1 +ATOM 18257 N N . VAL I 9 15 ? 20.790 -84.285 -49.445 1.00 73.37 ? 15 VAL J N 1 +ATOM 18258 C CA . VAL I 9 15 ? 19.745 -84.367 -50.461 1.00 75.36 ? 15 VAL J CA 1 +ATOM 18259 C C . VAL I 9 15 ? 18.814 -83.167 -50.363 1.00 66.81 ? 15 VAL J C 1 +ATOM 18260 O O . VAL I 9 15 ? 18.406 -82.596 -51.381 1.00 71.63 ? 15 VAL J O 1 +ATOM 18261 C CB . VAL I 9 15 ? 18.983 -85.701 -50.333 1.00 85.02 ? 15 VAL J CB 1 +ATOM 18262 C CG1 . VAL I 9 15 ? 17.624 -85.623 -51.018 1.00 68.52 ? 15 VAL J CG1 1 +ATOM 18263 C CG2 . VAL I 9 15 ? 19.813 -86.826 -50.925 1.00 66.97 ? 15 VAL J CG2 1 +ATOM 18264 N N . ALA I 9 16 ? 18.459 -82.769 -49.139 1.00 60.57 ? 16 ALA J N 1 +ATOM 18265 C CA . ALA I 9 16 ? 17.640 -81.576 -48.956 1.00 83.40 ? 16 ALA J CA 1 +ATOM 18266 C C . ALA I 9 16 ? 18.353 -80.332 -49.477 1.00 74.58 ? 16 ALA J C 1 +ATOM 18267 O O . ALA I 9 16 ? 17.738 -79.486 -50.135 1.00 77.58 ? 16 ALA J O 1 +ATOM 18268 C CB . ALA I 9 16 ? 17.278 -81.401 -47.482 1.00 63.32 ? 16 ALA J CB 1 +ATOM 18269 N N . GLY I 9 17 ? 19.652 -80.210 -49.194 1.00 71.58 ? 17 GLY J N 1 +ATOM 18270 C CA . GLY I 9 17 ? 20.418 -79.098 -49.730 1.00 61.94 ? 17 GLY J CA 1 +ATOM 18271 C C . GLY I 9 17 ? 20.383 -79.028 -51.245 1.00 77.70 ? 17 GLY J C 1 +ATOM 18272 O O . GLY I 9 17 ? 20.246 -77.945 -51.822 1.00 74.09 ? 17 GLY J O 1 +ATOM 18273 N N . MET I 9 18 ? 20.506 -80.177 -51.916 1.00 68.98 ? 18 MET J N 1 +ATOM 18274 C CA . MET I 9 18 ? 20.541 -80.150 -53.373 1.00 75.20 ? 18 MET J CA 1 +ATOM 18275 C C . MET I 9 18 ? 19.172 -79.820 -53.952 1.00 69.01 ? 18 MET J C 1 +ATOM 18276 O O . MET I 9 18 ? 19.087 -79.172 -54.996 1.00 65.59 ? 18 MET J O 1 +ATOM 18277 C CB . MET I 9 18 ? 21.058 -81.479 -53.933 1.00 75.46 ? 18 MET J CB 1 +ATOM 18278 C CG . MET I 9 18 ? 22.541 -81.757 -53.673 1.00 89.91 ? 18 MET J CG 1 +ATOM 18279 S SD . MET I 9 18 ? 23.088 -83.424 -54.207 1.00 108.78 ? 18 MET J SD 1 +ATOM 18280 C CE . MET I 9 18 ? 22.943 -83.275 -55.995 1.00 113.31 ? 18 MET J CE 1 +ATOM 18281 N N . GLY I 9 19 ? 18.097 -80.245 -53.288 1.00 69.56 ? 19 GLY J N 1 +ATOM 18282 C CA . GLY I 9 19 ? 16.772 -79.836 -53.720 1.00 68.72 ? 19 GLY J CA 1 +ATOM 18283 C C . GLY I 9 19 ? 16.576 -78.329 -53.662 1.00 79.76 ? 19 GLY J C 1 +ATOM 18284 O O . GLY I 9 19 ? 15.965 -77.739 -54.560 1.00 70.32 ? 19 GLY J O 1 +ATOM 18285 N N . VAL I 9 20 ? 17.092 -77.685 -52.604 1.00 66.51 ? 20 VAL J N 1 +ATOM 18286 C CA . VAL I 9 20 ? 16.995 -76.228 -52.488 1.00 63.13 ? 20 VAL J CA 1 +ATOM 18287 C C . VAL I 9 20 ? 17.722 -75.548 -53.650 1.00 78.89 ? 20 VAL J C 1 +ATOM 18288 O O . VAL I 9 20 ? 17.213 -74.589 -54.250 1.00 64.50 ? 20 VAL J O 1 +ATOM 18289 C CB . VAL I 9 20 ? 17.541 -75.764 -51.123 1.00 74.36 ? 20 VAL J CB 1 +ATOM 18290 C CG1 . VAL I 9 20 ? 17.792 -74.276 -51.136 1.00 78.44 ? 20 VAL J CG1 1 +ATOM 18291 C CG2 . VAL I 9 20 ? 16.569 -76.128 -49.997 1.00 58.77 ? 20 VAL J CG2 1 +ATOM 18292 N N . ILE I 9 21 ? 18.910 -76.052 -54.003 1.00 62.74 ? 21 ILE J N 1 +ATOM 18293 C CA . ILE I 9 21 ? 19.709 -75.445 -55.058 1.00 58.98 ? 21 ILE J CA 1 +ATOM 18294 C C . ILE I 9 21 ? 19.036 -75.630 -56.414 1.00 80.80 ? 21 ILE J C 1 +ATOM 18295 O O . ILE I 9 21 ? 19.116 -74.748 -57.283 1.00 66.66 ? 21 ILE J O 1 +ATOM 18296 C CB . ILE I 9 21 ? 21.130 -76.035 -55.030 1.00 68.36 ? 21 ILE J CB 1 +ATOM 18297 C CG1 . ILE I 9 21 ? 21.891 -75.534 -53.802 1.00 80.26 ? 21 ILE J CG1 1 +ATOM 18298 C CG2 . ILE I 9 21 ? 21.894 -75.737 -56.320 1.00 64.38 ? 21 ILE J CG2 1 +ATOM 18299 C CD1 . ILE I 9 21 ? 23.027 -76.457 -53.385 1.00 77.54 ? 21 ILE J CD1 1 +ATOM 18300 N N . VAL I 9 22 ? 18.354 -76.756 -56.619 1.00 63.56 ? 22 VAL J N 1 +ATOM 18301 C CA . VAL I 9 22 ? 17.634 -76.946 -57.868 1.00 60.09 ? 22 VAL J CA 1 +ATOM 18302 C C . VAL I 9 22 ? 16.489 -75.950 -57.984 1.00 57.23 ? 22 VAL J C 1 +ATOM 18303 O O . VAL I 9 22 ? 16.272 -75.355 -59.045 1.00 60.86 ? 22 VAL J O 1 +ATOM 18304 C CB . VAL I 9 22 ? 17.131 -78.395 -57.988 1.00 62.37 ? 22 VAL J CB 1 +ATOM 18305 C CG1 . VAL I 9 22 ? 16.173 -78.526 -59.158 1.00 57.10 ? 22 VAL J CG1 1 +ATOM 18306 C CG2 . VAL I 9 22 ? 18.302 -79.333 -58.163 1.00 72.63 ? 22 VAL J CG2 1 +ATOM 18307 N N . ILE I 9 23 ? 15.735 -75.757 -56.906 1.00 60.26 ? 23 ILE J N 1 +ATOM 18308 C CA . ILE I 9 23 ? 14.527 -74.953 -57.020 1.00 68.78 ? 23 ILE J CA 1 +ATOM 18309 C C . ILE I 9 23 ? 14.867 -73.456 -57.099 1.00 75.54 ? 23 ILE J C 1 +ATOM 18310 O O . ILE I 9 23 ? 14.195 -72.695 -57.816 1.00 66.36 ? 23 ILE J O 1 +ATOM 18311 C CB . ILE I 9 23 ? 13.576 -75.287 -55.857 1.00 70.57 ? 23 ILE J CB 1 +ATOM 18312 C CG1 . ILE I 9 23 ? 12.174 -74.740 -56.132 1.00 77.21 ? 23 ILE J CG1 1 +ATOM 18313 C CG2 . ILE I 9 23 ? 14.105 -74.737 -54.548 1.00 87.62 ? 23 ILE J CG2 1 +ATOM 18314 C CD1 . ILE I 9 23 ? 11.548 -75.322 -57.385 1.00 88.62 ? 23 ILE J CD1 1 +ATOM 18315 N N . VAL I 9 24 ? 15.935 -73.024 -56.422 1.00 63.48 ? 24 VAL J N 1 +ATOM 18316 C CA . VAL I 9 24 ? 16.357 -71.631 -56.497 1.00 65.93 ? 24 VAL J CA 1 +ATOM 18317 C C . VAL I 9 24 ? 17.014 -71.352 -57.838 1.00 60.93 ? 24 VAL J C 1 +ATOM 18318 O O . VAL I 9 24 ? 16.803 -70.289 -58.438 1.00 62.55 ? 24 VAL J O 1 +ATOM 18319 C CB . VAL I 9 24 ? 17.283 -71.298 -55.309 1.00 74.82 ? 24 VAL J CB 1 +ATOM 18320 C CG1 . VAL I 9 24 ? 17.842 -69.884 -55.416 1.00 64.25 ? 24 VAL J CG1 1 +ATOM 18321 C CG2 . VAL I 9 24 ? 16.511 -71.461 -54.020 1.00 53.47 ? 24 VAL J CG2 1 +ATOM 18322 N N . GLY I 9 25 ? 17.785 -72.317 -58.351 1.00 68.47 ? 25 GLY J N 1 +ATOM 18323 C CA . GLY I 9 25 ? 18.366 -72.163 -59.677 1.00 61.77 ? 25 GLY J CA 1 +ATOM 18324 C C . GLY I 9 25 ? 17.308 -72.011 -60.750 1.00 74.35 ? 25 GLY J C 1 +ATOM 18325 O O . GLY I 9 25 ? 17.459 -71.208 -61.677 1.00 69.62 ? 25 GLY J O 1 +ATOM 18326 N N . LEU I 9 26 ? 16.209 -72.761 -60.620 1.00 61.31 ? 26 LEU J N 1 +ATOM 18327 C CA . LEU I 9 26 ? 15.098 -72.625 -61.553 1.00 58.89 ? 26 LEU J CA 1 +ATOM 18328 C C . LEU I 9 26 ? 14.509 -71.211 -61.531 1.00 53.25 ? 26 LEU J C 1 +ATOM 18329 O O . LEU I 9 26 ? 14.154 -70.666 -62.585 1.00 53.72 ? 26 LEU J O 1 +ATOM 18330 C CB . LEU I 9 26 ? 14.028 -73.671 -61.224 1.00 67.50 ? 26 LEU J CB 1 +ATOM 18331 C CG . LEU I 9 26 ? 12.743 -73.679 -62.057 1.00 70.89 ? 26 LEU J CG 1 +ATOM 18332 C CD1 . LEU I 9 26 ? 13.028 -73.976 -63.537 1.00 75.49 ? 26 LEU J CD1 1 +ATOM 18333 C CD2 . LEU I 9 26 ? 11.779 -74.690 -61.485 1.00 67.07 ? 26 LEU J CD2 1 +ATOM 18334 N N . PHE I 9 27 ? 14.387 -70.609 -60.336 1.00 58.95 ? 27 PHE J N 1 +ATOM 18335 C CA . PHE I 9 27 ? 13.853 -69.253 -60.217 1.00 57.35 ? 27 PHE J CA 1 +ATOM 18336 C C . PHE I 9 27 ? 14.774 -68.234 -60.890 1.00 57.94 ? 27 PHE J C 1 +ATOM 18337 O O . PHE I 9 27 ? 14.300 -67.323 -61.577 1.00 54.12 ? 27 PHE J O 1 +ATOM 18338 C CB . PHE I 9 27 ? 13.637 -68.877 -58.741 1.00 57.81 ? 27 PHE J CB 1 +ATOM 18339 C CG . PHE I 9 27 ? 12.561 -69.686 -58.036 1.00 55.27 ? 27 PHE J CG 1 +ATOM 18340 C CD1 . PHE I 9 27 ? 11.718 -70.534 -58.742 1.00 60.12 ? 27 PHE J CD1 1 +ATOM 18341 C CD2 . PHE I 9 27 ? 12.393 -69.583 -56.654 1.00 60.02 ? 27 PHE J CD2 1 +ATOM 18342 C CE1 . PHE I 9 27 ? 10.735 -71.283 -58.084 1.00 63.30 ? 27 PHE J CE1 1 +ATOM 18343 C CE2 . PHE I 9 27 ? 11.403 -70.318 -55.985 1.00 61.27 ? 27 PHE J CE2 1 +ATOM 18344 C CZ . PHE I 9 27 ? 10.578 -71.175 -56.703 1.00 58.35 ? 27 PHE J CZ 1 +ATOM 18345 N N . PHE I 9 28 ? 16.092 -68.381 -60.720 1.00 61.22 ? 28 PHE J N 1 +ATOM 18346 C CA . PHE I 9 28 ? 17.032 -67.500 -61.414 1.00 58.37 ? 28 PHE J CA 1 +ATOM 18347 C C . PHE I 9 28 ? 17.008 -67.733 -62.918 1.00 56.62 ? 28 PHE J C 1 +ATOM 18348 O O . PHE I 9 28 ? 17.114 -66.776 -63.694 1.00 63.90 ? 28 PHE J O 1 +ATOM 18349 C CB . PHE I 9 28 ? 18.445 -67.674 -60.852 1.00 56.42 ? 28 PHE J CB 1 +ATOM 18350 C CG . PHE I 9 28 ? 18.681 -66.876 -59.598 1.00 71.13 ? 28 PHE J CG 1 +ATOM 18351 C CD1 . PHE I 9 28 ? 18.960 -65.513 -59.669 1.00 68.37 ? 28 PHE J CD1 1 +ATOM 18352 C CD2 . PHE I 9 28 ? 18.582 -67.470 -58.344 1.00 64.76 ? 28 PHE J CD2 1 +ATOM 18353 C CE1 . PHE I 9 28 ? 19.169 -64.769 -58.513 1.00 72.74 ? 28 PHE J CE1 1 +ATOM 18354 C CE2 . PHE I 9 28 ? 18.782 -66.720 -57.182 1.00 63.75 ? 28 PHE J CE2 1 +ATOM 18355 C CZ . PHE I 9 28 ? 19.077 -65.381 -57.271 1.00 64.36 ? 28 PHE J CZ 1 +ATOM 18356 N N . TYR I 9 29 ? 16.865 -68.991 -63.356 1.00 61.71 ? 29 TYR J N 1 +ATOM 18357 C CA . TYR I 9 29 ? 16.635 -69.245 -64.777 1.00 62.30 ? 29 TYR J CA 1 +ATOM 18358 C C . TYR I 9 29 ? 15.434 -68.447 -65.282 1.00 51.05 ? 29 TYR J C 1 +ATOM 18359 O O . TYR I 9 29 ? 15.495 -67.825 -66.346 1.00 52.49 ? 29 TYR J O 1 +ATOM 18360 C CB . TYR I 9 29 ? 16.434 -70.746 -65.033 1.00 66.47 ? 29 TYR J CB 1 +ATOM 18361 C CG . TYR I 9 29 ? 15.742 -70.979 -66.356 1.00 67.42 ? 29 TYR J CG 1 +ATOM 18362 C CD1 . TYR I 9 29 ? 16.459 -70.955 -67.548 1.00 68.91 ? 29 TYR J CD1 1 +ATOM 18363 C CD2 . TYR I 9 29 ? 14.357 -71.165 -66.422 1.00 69.14 ? 29 TYR J CD2 1 +ATOM 18364 C CE1 . TYR I 9 29 ? 15.830 -71.129 -68.759 1.00 65.89 ? 29 TYR J CE1 1 +ATOM 18365 C CE2 . TYR I 9 29 ? 13.718 -71.341 -67.632 1.00 64.43 ? 29 TYR J CE2 1 +ATOM 18366 C CZ . TYR I 9 29 ? 14.462 -71.322 -68.791 1.00 71.01 ? 29 TYR J CZ 1 +ATOM 18367 O OH . TYR I 9 29 ? 13.836 -71.487 -69.994 1.00 81.42 ? 29 TYR J OH 1 +ATOM 18368 N N . GLY I 9 30 ? 14.338 -68.433 -64.513 1.00 53.07 ? 30 GLY J N 1 +ATOM 18369 C CA . GLY I 9 30 ? 13.141 -67.705 -64.913 1.00 56.56 ? 30 GLY J CA 1 +ATOM 18370 C C . GLY I 9 30 ? 13.319 -66.198 -65.042 1.00 55.88 ? 30 GLY J C 1 +ATOM 18371 O O . GLY I 9 30 ? 12.537 -65.551 -65.745 1.00 54.60 ? 30 GLY J O 1 +ATOM 18372 N N . ALA I 9 31 ? 14.324 -65.620 -64.377 1.00 58.65 ? 31 ALA J N 1 +ATOM 18373 C CA . ALA I 9 31 ? 14.567 -64.185 -64.528 1.00 51.43 ? 31 ALA J CA 1 +ATOM 18374 C C . ALA I 9 31 ? 14.989 -63.824 -65.944 1.00 59.50 ? 31 ALA J C 1 +ATOM 18375 O O . ALA I 9 31 ? 14.851 -62.658 -66.342 1.00 57.10 ? 31 ALA J O 1 +ATOM 18376 C CB . ALA I 9 31 ? 15.636 -63.714 -63.538 1.00 50.40 ? 31 ALA J CB 1 +ATOM 18377 N N . TYR I 9 32 ? 15.480 -64.794 -66.718 1.00 49.94 ? 32 TYR J N 1 +ATOM 18378 C CA . TYR I 9 32 ? 16.023 -64.537 -68.042 1.00 64.84 ? 32 TYR J CA 1 +ATOM 18379 C C . TYR I 9 32 ? 15.172 -65.096 -69.179 1.00 54.94 ? 32 TYR J C 1 +ATOM 18380 O O . TYR I 9 32 ? 15.561 -64.966 -70.332 1.00 57.67 ? 32 TYR J O 1 +ATOM 18381 C CB . TYR I 9 32 ? 17.438 -65.110 -68.145 1.00 51.95 ? 32 TYR J CB 1 +ATOM 18382 C CG . TYR I 9 32 ? 18.428 -64.491 -67.190 1.00 56.67 ? 32 TYR J CG 1 +ATOM 18383 C CD1 . TYR I 9 32 ? 19.091 -63.308 -67.523 1.00 59.63 ? 32 TYR J CD1 1 +ATOM 18384 C CD2 . TYR I 9 32 ? 18.718 -65.088 -65.969 1.00 52.21 ? 32 TYR J CD2 1 +ATOM 18385 C CE1 . TYR I 9 32 ? 20.015 -62.736 -66.666 1.00 53.72 ? 32 TYR J CE1 1 +ATOM 18386 C CE2 . TYR I 9 32 ? 19.648 -64.520 -65.091 1.00 62.38 ? 32 TYR J CE2 1 +ATOM 18387 C CZ . TYR I 9 32 ? 20.289 -63.342 -65.452 1.00 57.53 ? 32 TYR J CZ 1 +ATOM 18388 O OH . TYR I 9 32 ? 21.208 -62.772 -64.610 1.00 56.02 ? 32 TYR J OH 1 +ATOM 18389 N N . ALA I 9 33 ? 14.027 -65.690 -68.889 1.00 53.75 ? 33 ALA J N 1 +ATOM 18390 C CA . ALA I 9 33 ? 13.203 -66.344 -69.887 1.00 51.91 ? 33 ALA J CA 1 +ATOM 18391 C C . ALA I 9 33 ? 11.745 -66.090 -69.556 1.00 50.05 ? 33 ALA J C 1 +ATOM 18392 O O . ALA I 9 33 ? 11.361 -66.089 -68.382 1.00 58.93 ? 33 ALA J O 1 +ATOM 18393 C CB . ALA I 9 33 ? 13.469 -67.866 -69.920 1.00 56.08 ? 33 ALA J CB 1 +ATOM 18394 N N . GLY I 9 34 ? 10.933 -65.906 -70.585 1.00 51.50 ? 34 GLY J N 1 +ATOM 18395 C CA . GLY I 9 34 ? 9.506 -65.814 -70.348 1.00 57.55 ? 34 GLY J CA 1 +ATOM 18396 C C . GLY I 9 34 ? 9.141 -64.511 -69.658 1.00 60.50 ? 34 GLY J C 1 +ATOM 18397 O O . GLY I 9 34 ? 9.815 -63.492 -69.802 1.00 60.28 ? 34 GLY J O 1 +ATOM 18398 N N . LEU I 9 35 ? 8.046 -64.554 -68.901 1.00 56.24 ? 35 LEU J N 1 +ATOM 18399 C CA . LEU I 9 35 ? 7.561 -63.377 -68.201 1.00 60.72 ? 35 LEU J CA 1 +ATOM 18400 C C . LEU I 9 35 ? 8.659 -62.760 -67.341 1.00 63.54 ? 35 LEU J C 1 +ATOM 18401 O O . LEU I 9 35 ? 9.468 -63.469 -66.732 1.00 49.88 ? 35 LEU J O 1 +ATOM 18402 C CB . LEU I 9 35 ? 6.372 -63.744 -67.312 1.00 55.15 ? 35 LEU J CB 1 +ATOM 18403 C CG . LEU I 9 35 ? 5.107 -64.195 -68.032 1.00 64.47 ? 35 LEU J CG 1 +ATOM 18404 C CD1 . LEU I 9 35 ? 3.932 -64.218 -67.053 1.00 58.43 ? 35 LEU J CD1 1 +ATOM 18405 C CD2 . LEU I 9 35 ? 4.819 -63.315 -69.241 1.00 56.78 ? 35 LEU J CD2 1 +ATOM 18406 N N . GLY I 9 36 ? 8.680 -61.424 -67.298 1.00 53.18 ? 36 GLY J N 1 +ATOM 18407 C CA . GLY I 9 36 ? 9.596 -60.722 -66.419 1.00 52.78 ? 36 GLY J CA 1 +ATOM 18408 C C . GLY I 9 36 ? 11.032 -60.708 -66.883 1.00 55.05 ? 36 GLY J C 1 +ATOM 18409 O O . GLY I 9 36 ? 11.903 -60.244 -66.146 1.00 52.63 ? 36 GLY J O 1 +ATOM 18410 N N . SER I 9 37 ? 11.310 -61.202 -68.084 1.00 50.47 ? 37 SER J N 1 +ATOM 18411 C CA . SER I 9 37 ? 12.671 -61.234 -68.594 1.00 55.38 ? 37 SER J CA 1 +ATOM 18412 C C . SER I 9 37 ? 13.035 -59.993 -69.385 1.00 51.58 ? 37 SER J C 1 +ATOM 18413 O O . SER I 9 37 ? 14.163 -59.911 -69.880 1.00 50.83 ? 37 SER J O 1 +ATOM 18414 C CB . SER I 9 37 ? 12.873 -62.449 -69.491 1.00 52.57 ? 37 SER J CB 1 +ATOM 18415 O OG . SER I 9 37 ? 12.198 -62.232 -70.722 1.00 52.56 ? 37 SER J OG 1 +ATOM 18416 N N . SER I 9 38 ? 12.100 -59.054 -69.543 1.00 48.49 ? 38 SER J N 1 +ATOM 18417 C CA . SER I 9 38 ? 12.217 -57.850 -70.360 1.00 54.98 ? 38 SER J CA 1 +ATOM 18418 C C . SER I 9 38 ? 12.237 -58.144 -71.861 1.00 60.69 ? 38 SER J C 1 +ATOM 18419 O O . SER I 9 38 ? 12.299 -57.204 -72.644 1.00 53.58 ? 38 SER J O 1 +ATOM 18420 C CB . SER I 9 38 ? 13.462 -57.011 -70.024 1.00 53.15 ? 38 SER J CB 1 +ATOM 18421 O OG . SER I 9 38 ? 14.594 -57.459 -70.764 1.00 49.95 ? 38 SER J OG 1 +ATOM 18422 N N . LEU I 9 39 ? 12.193 -59.405 -72.284 1.00 59.82 ? 39 LEU J N 1 +ATOM 18423 C CA . LEU I 9 39 ? 12.292 -59.745 -73.712 1.00 65.41 ? 39 LEU J CA 1 +ATOM 18424 C C . LEU I 9 39 ? 10.924 -59.962 -74.362 1.00 60.21 ? 39 LEU J C 1 +ATOM 18425 O O . LEU I 9 39 ? 9.994 -60.463 -73.732 1.00 56.42 ? 39 LEU J O 1 +ATOM 18426 C CB . LEU I 9 39 ? 13.159 -60.998 -73.899 1.00 60.20 ? 39 LEU J CB 1 +ATOM 18427 C CG . LEU I 9 39 ? 14.644 -60.794 -73.585 1.00 63.56 ? 39 LEU J CG 1 +ATOM 18428 C CD1 . LEU I 9 39 ? 15.464 -62.052 -73.815 1.00 66.39 ? 39 LEU J CD1 1 +ATOM 18429 C CD2 . LEU I 9 39 ? 15.175 -59.658 -74.443 1.00 66.14 ? 39 LEU J CD2 1 +ATOM 18430 O OXT . LEU I 9 39 ? 10.707 -59.653 -75.531 1.00 58.11 ? 39 LEU J OXT 1 +ATOM 18431 N N . LYS J 10 1 ? 34.194 -69.341 -80.124 1.00 57.24 ? 10 LYS K N 1 +ATOM 18432 C CA . LYS J 10 1 ? 33.895 -70.759 -80.250 1.00 69.00 ? 10 LYS K CA 1 +ATOM 18433 C C . LYS J 10 1 ? 35.137 -71.627 -80.046 1.00 61.70 ? 10 LYS K C 1 +ATOM 18434 O O . LYS J 10 1 ? 36.261 -71.215 -80.352 1.00 69.66 ? 10 LYS K O 1 +ATOM 18435 C CB . LYS J 10 1 ? 33.290 -71.063 -81.625 1.00 71.48 ? 10 LYS K CB 1 +ATOM 18436 C CG . LYS J 10 1 ? 31.819 -70.713 -81.741 1.00 94.47 ? 10 LYS K CG 1 +ATOM 18437 C CD . LYS J 10 1 ? 31.622 -69.220 -81.941 1.00 116.48 ? 10 LYS K CD 1 +ATOM 18438 C CE . LYS J 10 1 ? 30.485 -68.693 -81.074 1.00 114.31 ? 10 LYS K CE 1 +ATOM 18439 N NZ . LYS J 10 1 ? 30.710 -68.993 -79.633 1.00 86.19 ? 10 LYS K NZ 1 +ATOM 18440 N N . LEU J 10 2 ? 34.921 -72.826 -79.519 1.00 62.89 ? 11 LEU K N 1 +ATOM 18441 C CA . LEU J 10 2 ? 35.960 -73.844 -79.542 1.00 70.19 ? 11 LEU K CA 1 +ATOM 18442 C C . LEU J 10 2 ? 36.164 -74.330 -80.978 1.00 61.27 ? 11 LEU K C 1 +ATOM 18443 O O . LEU J 10 2 ? 35.253 -74.239 -81.805 1.00 65.07 ? 11 LEU K O 1 +ATOM 18444 C CB . LEU J 10 2 ? 35.574 -75.022 -78.651 1.00 54.72 ? 11 LEU K CB 1 +ATOM 18445 C CG . LEU J 10 2 ? 35.230 -74.730 -77.195 1.00 70.81 ? 11 LEU K CG 1 +ATOM 18446 C CD1 . LEU J 10 2 ? 34.660 -75.980 -76.535 1.00 64.88 ? 11 LEU K CD1 1 +ATOM 18447 C CD2 . LEU J 10 2 ? 36.453 -74.230 -76.445 1.00 62.55 ? 11 LEU K CD2 1 +ATOM 18448 N N . PRO J 10 3 ? 37.348 -74.848 -81.303 1.00 77.50 ? 12 PRO K N 1 +ATOM 18449 C CA . PRO J 10 3 ? 37.524 -75.493 -82.610 1.00 66.36 ? 12 PRO K CA 1 +ATOM 18450 C C . PRO J 10 3 ? 36.463 -76.563 -82.816 1.00 63.12 ? 12 PRO K C 1 +ATOM 18451 O O . PRO J 10 3 ? 36.038 -77.232 -81.870 1.00 69.19 ? 12 PRO K O 1 +ATOM 18452 C CB . PRO J 10 3 ? 38.932 -76.087 -82.529 1.00 74.38 ? 12 PRO K CB 1 +ATOM 18453 C CG . PRO J 10 3 ? 39.630 -75.279 -81.461 1.00 75.68 ? 12 PRO K CG 1 +ATOM 18454 C CD . PRO J 10 3 ? 38.563 -74.943 -80.469 1.00 68.58 ? 12 PRO K CD 1 +ATOM 18455 N N . GLU J 10 4 ? 36.032 -76.699 -84.072 1.00 70.73 ? 13 GLU K N 1 +ATOM 18456 C CA . GLU J 10 4 ? 34.920 -77.574 -84.450 1.00 72.68 ? 13 GLU K CA 1 +ATOM 18457 C C . GLU J 10 4 ? 35.061 -78.984 -83.881 1.00 75.53 ? 13 GLU K C 1 +ATOM 18458 O O . GLU J 10 4 ? 34.068 -79.602 -83.474 1.00 75.85 ? 13 GLU K O 1 +ATOM 18459 C CB . GLU J 10 4 ? 34.827 -77.615 -85.980 1.00 81.12 ? 13 GLU K CB 1 +ATOM 18460 C CG . GLU J 10 4 ? 33.536 -78.155 -86.582 1.00 128.12 ? 13 GLU K CG 1 +ATOM 18461 C CD . GLU J 10 4 ? 33.598 -78.219 -88.115 1.00 151.90 ? 13 GLU K CD 1 +ATOM 18462 O OE1 . GLU J 10 4 ? 32.533 -78.142 -88.773 1.00 146.11 ? 13 GLU K OE1 1 +ATOM 18463 O OE2 . GLU J 10 4 ? 34.718 -78.340 -88.664 1.00 145.74 ? 13 GLU K OE2 1 +ATOM 18464 N N . ALA J 10 5 ? 36.289 -79.513 -83.844 1.00 76.08 ? 14 ALA K N 1 +ATOM 18465 C CA . ALA J 10 5 ? 36.490 -80.887 -83.380 1.00 77.86 ? 14 ALA K CA 1 +ATOM 18466 C C . ALA J 10 5 ? 36.067 -81.074 -81.923 1.00 92.77 ? 14 ALA K C 1 +ATOM 18467 O O . ALA J 10 5 ? 35.582 -82.149 -81.547 1.00 77.44 ? 14 ALA K O 1 +ATOM 18468 C CB . ALA J 10 5 ? 37.951 -81.295 -83.559 1.00 78.25 ? 14 ALA K CB 1 +ATOM 18469 N N . TYR J 10 6 ? 36.254 -80.052 -81.080 1.00 80.44 ? 15 TYR K N 1 +ATOM 18470 C CA . TYR J 10 6 ? 35.904 -80.166 -79.668 1.00 85.02 ? 15 TYR K CA 1 +ATOM 18471 C C . TYR J 10 6 ? 34.466 -79.760 -79.374 1.00 77.20 ? 15 TYR K C 1 +ATOM 18472 O O . TYR J 10 6 ? 34.051 -79.816 -78.211 1.00 76.57 ? 15 TYR K O 1 +ATOM 18473 C CB . TYR J 10 6 ? 36.842 -79.318 -78.808 1.00 70.12 ? 15 TYR K CB 1 +ATOM 18474 C CG . TYR J 10 6 ? 38.306 -79.658 -78.918 1.00 61.75 ? 15 TYR K CG 1 +ATOM 18475 C CD1 . TYR J 10 6 ? 39.086 -79.129 -79.941 1.00 64.63 ? 15 TYR K CD1 1 +ATOM 18476 C CD2 . TYR J 10 6 ? 38.920 -80.480 -77.979 1.00 66.17 ? 15 TYR K CD2 1 +ATOM 18477 C CE1 . TYR J 10 6 ? 40.434 -79.429 -80.042 1.00 67.33 ? 15 TYR K CE1 1 +ATOM 18478 C CE2 . TYR J 10 6 ? 40.272 -80.778 -78.061 1.00 60.05 ? 15 TYR K CE2 1 +ATOM 18479 C CZ . TYR J 10 6 ? 41.019 -80.253 -79.098 1.00 68.92 ? 15 TYR K CZ 1 +ATOM 18480 O OH . TYR J 10 6 ? 42.355 -80.541 -79.189 1.00 73.29 ? 15 TYR K OH 1 +ATOM 18481 N N . ALA J 10 7 ? 33.695 -79.382 -80.398 1.00 82.50 ? 16 ALA K N 1 +ATOM 18482 C CA . ALA J 10 7 ? 32.392 -78.761 -80.176 1.00 76.57 ? 16 ALA K CA 1 +ATOM 18483 C C . ALA J 10 7 ? 31.441 -79.664 -79.401 1.00 81.63 ? 16 ALA K C 1 +ATOM 18484 O O . ALA J 10 7 ? 30.562 -79.170 -78.690 1.00 90.09 ? 16 ALA K O 1 +ATOM 18485 C CB . ALA J 10 7 ? 31.770 -78.357 -81.515 1.00 81.22 ? 16 ALA K CB 1 +ATOM 18486 N N . ILE J 10 8 ? 31.593 -80.983 -79.508 1.00 78.54 ? 17 ILE K N 1 +ATOM 18487 C CA . ILE J 10 8 ? 30.692 -81.864 -78.770 1.00 83.18 ? 17 ILE K CA 1 +ATOM 18488 C C . ILE J 10 8 ? 30.899 -81.755 -77.270 1.00 83.19 ? 17 ILE K C 1 +ATOM 18489 O O . ILE J 10 8 ? 29.992 -82.089 -76.499 1.00 85.93 ? 17 ILE K O 1 +ATOM 18490 C CB . ILE J 10 8 ? 30.854 -83.325 -79.220 1.00 96.89 ? 17 ILE K CB 1 +ATOM 18491 C CG1 . ILE J 10 8 ? 32.295 -83.799 -79.010 1.00 89.00 ? 17 ILE K CG1 1 +ATOM 18492 C CG2 . ILE J 10 8 ? 30.444 -83.470 -80.684 1.00 106.55 ? 17 ILE K CG2 1 +ATOM 18493 C CD1 . ILE J 10 8 ? 33.214 -83.520 -80.183 1.00 85.33 ? 17 ILE K CD1 1 +ATOM 18494 N N . PHE J 10 9 ? 32.065 -81.295 -76.832 1.00 77.81 ? 18 PHE K N 1 +ATOM 18495 C CA . PHE J 10 9 ? 32.333 -81.109 -75.415 1.00 76.82 ? 18 PHE K CA 1 +ATOM 18496 C C . PHE J 10 9 ? 31.854 -79.760 -74.901 1.00 79.03 ? 18 PHE K C 1 +ATOM 18497 O O . PHE J 10 9 ? 32.099 -79.425 -73.733 1.00 70.17 ? 18 PHE K O 1 +ATOM 18498 C CB . PHE J 10 9 ? 33.828 -81.287 -75.148 1.00 76.18 ? 18 PHE K CB 1 +ATOM 18499 C CG . PHE J 10 9 ? 34.299 -82.689 -75.362 1.00 83.76 ? 18 PHE K CG 1 +ATOM 18500 C CD1 . PHE J 10 9 ? 34.185 -83.632 -74.349 1.00 95.45 ? 18 PHE K CD1 1 +ATOM 18501 C CD2 . PHE J 10 9 ? 34.819 -83.081 -76.587 1.00 93.30 ? 18 PHE K CD2 1 +ATOM 18502 C CE1 . PHE J 10 9 ? 34.601 -84.935 -74.542 1.00 83.68 ? 18 PHE K CE1 1 +ATOM 18503 C CE2 . PHE J 10 9 ? 35.240 -84.389 -76.789 1.00 108.59 ? 18 PHE K CE2 1 +ATOM 18504 C CZ . PHE J 10 9 ? 35.129 -85.318 -75.759 1.00 88.49 ? 18 PHE K CZ 1 +ATOM 18505 N N . ASP J 10 10 ? 31.169 -78.994 -75.748 1.00 69.49 ? 19 ASP K N 1 +ATOM 18506 C CA . ASP J 10 10 ? 30.722 -77.662 -75.353 1.00 79.28 ? 19 ASP K CA 1 +ATOM 18507 C C . ASP J 10 10 ? 29.832 -77.663 -74.112 1.00 74.81 ? 19 ASP K C 1 +ATOM 18508 O O . ASP J 10 10 ? 30.043 -76.799 -73.242 1.00 82.01 ? 19 ASP K O 1 +ATOM 18509 C CB . ASP J 10 10 ? 30.010 -76.994 -76.536 1.00 73.29 ? 19 ASP K CB 1 +ATOM 18510 C CG . ASP J 10 10 ? 30.370 -75.552 -76.682 1.00 95.38 ? 19 ASP K CG 1 +ATOM 18511 O OD1 . ASP J 10 10 ? 31.265 -75.257 -77.506 1.00 105.12 ? 19 ASP K OD1 1 +ATOM 18512 O OD2 . ASP J 10 10 ? 29.772 -74.715 -75.963 1.00 123.30 ? 19 ASP K OD2 1 +ATOM 18513 N N . PRO J 10 11 ? 28.846 -78.556 -73.957 1.00 74.72 ? 20 PRO K N 1 +ATOM 18514 C CA . PRO J 10 11 ? 28.055 -78.527 -72.718 1.00 70.93 ? 20 PRO K CA 1 +ATOM 18515 C C . PRO J 10 11 ? 28.886 -78.832 -71.505 1.00 70.32 ? 20 PRO K C 1 +ATOM 18516 O O . PRO J 10 11 ? 28.542 -78.401 -70.401 1.00 77.68 ? 20 PRO K O 1 +ATOM 18517 C CB . PRO J 10 11 ? 26.984 -79.603 -72.950 1.00 69.61 ? 20 PRO K CB 1 +ATOM 18518 C CG . PRO J 10 11 ? 26.940 -79.794 -74.406 1.00 71.44 ? 20 PRO K CG 1 +ATOM 18519 C CD . PRO J 10 11 ? 28.337 -79.574 -74.892 1.00 68.38 ? 20 PRO K CD 1 +ATOM 18520 N N . LEU J 10 12 ? 29.985 -79.566 -71.677 1.00 70.85 ? 21 LEU K N 1 +ATOM 18521 C CA . LEU J 10 12 ? 30.867 -79.825 -70.551 1.00 72.64 ? 21 LEU K CA 1 +ATOM 18522 C C . LEU J 10 12 ? 31.658 -78.575 -70.195 1.00 73.04 ? 21 LEU K C 1 +ATOM 18523 O O . LEU J 10 12 ? 31.778 -78.225 -69.012 1.00 63.79 ? 21 LEU K O 1 +ATOM 18524 C CB . LEU J 10 12 ? 31.802 -80.987 -70.879 1.00 69.55 ? 21 LEU K CB 1 +ATOM 18525 C CG . LEU J 10 12 ? 32.811 -81.367 -69.800 1.00 71.69 ? 21 LEU K CG 1 +ATOM 18526 C CD1 . LEU J 10 12 ? 32.095 -81.766 -68.511 1.00 65.09 ? 21 LEU K CD1 1 +ATOM 18527 C CD2 . LEU J 10 12 ? 33.715 -82.473 -70.302 1.00 69.80 ? 21 LEU K CD2 1 +ATOM 18528 N N . VAL J 10 13 ? 32.190 -77.886 -71.214 1.00 64.25 ? 22 VAL K N 1 +ATOM 18529 C CA . VAL J 10 13 ? 32.938 -76.649 -70.992 1.00 64.52 ? 22 VAL K CA 1 +ATOM 18530 C C . VAL J 10 13 ? 32.068 -75.606 -70.300 1.00 63.79 ? 22 VAL K C 1 +ATOM 18531 O O . VAL J 10 13 ? 32.566 -74.796 -69.504 1.00 64.52 ? 22 VAL K O 1 +ATOM 18532 C CB . VAL J 10 13 ? 33.507 -76.112 -72.326 1.00 69.50 ? 22 VAL K CB 1 +ATOM 18533 C CG1 . VAL J 10 13 ? 34.156 -74.741 -72.135 1.00 58.64 ? 22 VAL K CG1 1 +ATOM 18534 C CG2 . VAL J 10 13 ? 34.519 -77.089 -72.904 1.00 68.81 ? 22 VAL K CG2 1 +ATOM 18535 N N . ASP J 10 14 ? 30.759 -75.604 -70.580 1.00 56.44 ? 23 ASP K N 1 +ATOM 18536 C CA . ASP J 10 14 ? 29.868 -74.608 -69.981 1.00 63.39 ? 23 ASP K CA 1 +ATOM 18537 C C . ASP J 10 14 ? 29.797 -74.747 -68.467 1.00 70.76 ? 23 ASP K C 1 +ATOM 18538 O O . ASP J 10 14 ? 29.468 -73.785 -67.772 1.00 68.95 ? 23 ASP K O 1 +ATOM 18539 C CB . ASP J 10 14 ? 28.458 -74.724 -70.567 1.00 73.27 ? 23 ASP K CB 1 +ATOM 18540 C CG . ASP J 10 14 ? 28.299 -73.955 -71.861 1.00 71.76 ? 23 ASP K CG 1 +ATOM 18541 O OD1 . ASP J 10 14 ? 28.966 -72.913 -72.015 1.00 85.58 ? 23 ASP K OD1 1 +ATOM 18542 O OD2 . ASP J 10 14 ? 27.516 -74.385 -72.726 1.00 84.75 ? 23 ASP K OD2 1 +ATOM 18543 N N . VAL J 10 15 ? 30.122 -75.927 -67.952 1.00 69.35 ? 24 VAL K N 1 +ATOM 18544 C CA . VAL J 10 15 ? 29.880 -76.284 -66.565 1.00 70.33 ? 24 VAL K CA 1 +ATOM 18545 C C . VAL J 10 15 ? 31.173 -76.287 -65.757 1.00 62.49 ? 24 VAL K C 1 +ATOM 18546 O O . VAL J 10 15 ? 31.128 -76.118 -64.530 1.00 61.95 ? 24 VAL K O 1 +ATOM 18547 C CB . VAL J 10 15 ? 29.177 -77.662 -66.546 1.00 80.74 ? 24 VAL K CB 1 +ATOM 18548 C CG1 . VAL J 10 15 ? 29.403 -78.396 -65.248 1.00 97.65 ? 24 VAL K CG1 1 +ATOM 18549 C CG2 . VAL J 10 15 ? 27.689 -77.491 -66.817 1.00 81.20 ? 24 VAL K CG2 1 +ATOM 18550 N N . LEU J 10 16 ? 32.321 -76.438 -66.414 1.00 60.61 ? 25 LEU K N 1 +ATOM 18551 C CA . LEU J 10 16 ? 33.579 -76.577 -65.687 1.00 57.77 ? 25 LEU K CA 1 +ATOM 18552 C C . LEU J 10 16 ? 33.883 -75.436 -64.723 1.00 62.80 ? 25 LEU K C 1 +ATOM 18553 O O . LEU J 10 16 ? 34.381 -75.726 -63.623 1.00 60.45 ? 25 LEU K O 1 +ATOM 18554 C CB . LEU J 10 16 ? 34.740 -76.750 -66.678 1.00 66.14 ? 25 LEU K CB 1 +ATOM 18555 C CG . LEU J 10 16 ? 34.743 -77.986 -67.601 1.00 67.87 ? 25 LEU K CG 1 +ATOM 18556 C CD1 . LEU J 10 16 ? 36.013 -78.037 -68.457 1.00 71.01 ? 25 LEU K CD1 1 +ATOM 18557 C CD2 . LEU J 10 16 ? 34.580 -79.265 -66.820 1.00 60.08 ? 25 LEU K CD2 1 +ATOM 18558 N N . PRO J 10 17 ? 33.657 -74.152 -65.055 1.00 66.03 ? 26 PRO K N 1 +ATOM 18559 C CA . PRO J 10 17 ? 34.083 -73.080 -64.131 1.00 63.41 ? 26 PRO K CA 1 +ATOM 18560 C C . PRO J 10 17 ? 33.486 -73.186 -62.741 1.00 55.34 ? 26 PRO K C 1 +ATOM 18561 O O . PRO J 10 17 ? 34.110 -72.738 -61.770 1.00 59.35 ? 26 PRO K O 1 +ATOM 18562 C CB . PRO J 10 17 ? 33.611 -71.800 -64.839 1.00 58.12 ? 26 PRO K CB 1 +ATOM 18563 C CG . PRO J 10 17 ? 33.587 -72.149 -66.264 1.00 64.16 ? 26 PRO K CG 1 +ATOM 18564 C CD . PRO J 10 17 ? 33.126 -73.590 -66.312 1.00 55.45 ? 26 PRO K CD 1 +ATOM 18565 N N . VAL J 10 18 ? 32.290 -73.756 -62.626 1.00 61.52 ? 27 VAL K N 1 +ATOM 18566 C CA . VAL J 10 18 ? 31.616 -73.842 -61.342 1.00 67.85 ? 27 VAL K CA 1 +ATOM 18567 C C . VAL J 10 18 ? 32.206 -74.922 -60.438 1.00 67.09 ? 27 VAL K C 1 +ATOM 18568 O O . VAL J 10 18 ? 31.959 -74.887 -59.227 1.00 65.46 ? 27 VAL K O 1 +ATOM 18569 C CB . VAL J 10 18 ? 30.108 -74.057 -61.580 1.00 72.75 ? 27 VAL K CB 1 +ATOM 18570 C CG1 . VAL J 10 18 ? 29.740 -75.542 -61.501 1.00 75.68 ? 27 VAL K CG1 1 +ATOM 18571 C CG2 . VAL J 10 18 ? 29.294 -73.244 -60.600 1.00 95.17 ? 27 VAL K CG2 1 +ATOM 18572 N N . ILE J 10 19 ? 32.989 -75.865 -60.985 1.00 59.60 ? 28 ILE K N 1 +ATOM 18573 C CA . ILE J 10 19 ? 33.499 -76.973 -60.166 1.00 60.63 ? 28 ILE K CA 1 +ATOM 18574 C C . ILE J 10 19 ? 34.230 -76.504 -58.914 1.00 71.61 ? 28 ILE K C 1 +ATOM 18575 O O . ILE J 10 19 ? 34.006 -77.094 -57.832 1.00 67.48 ? 28 ILE K O 1 +ATOM 18576 C CB . ILE J 10 19 ? 34.331 -77.929 -61.032 1.00 62.32 ? 28 ILE K CB 1 +ATOM 18577 C CG1 . ILE J 10 19 ? 33.417 -78.807 -61.882 1.00 65.57 ? 28 ILE K CG1 1 +ATOM 18578 C CG2 . ILE J 10 19 ? 35.203 -78.829 -60.159 1.00 61.37 ? 28 ILE K CG2 1 +ATOM 18579 C CD1 . ILE J 10 19 ? 34.121 -79.575 -62.978 1.00 75.19 ? 28 ILE K CD1 1 +ATOM 18580 N N . PRO J 10 20 ? 35.089 -75.466 -58.953 1.00 68.09 ? 29 PRO K N 1 +ATOM 18581 C CA . PRO J 10 20 ? 35.735 -75.018 -57.705 1.00 69.94 ? 29 PRO K CA 1 +ATOM 18582 C C . PRO J 10 20 ? 34.783 -74.769 -56.544 1.00 63.51 ? 29 PRO K C 1 +ATOM 18583 O O . PRO J 10 20 ? 35.144 -75.067 -55.407 1.00 67.31 ? 29 PRO K O 1 +ATOM 18584 C CB . PRO J 10 20 ? 36.453 -73.732 -58.138 1.00 66.40 ? 29 PRO K CB 1 +ATOM 18585 C CG . PRO J 10 20 ? 36.858 -74.020 -59.533 1.00 66.38 ? 29 PRO K CG 1 +ATOM 18586 C CD . PRO J 10 20 ? 35.704 -74.812 -60.129 1.00 58.60 ? 29 PRO K CD 1 +ATOM 18587 N N . VAL J 10 21 ? 33.578 -74.250 -56.797 1.00 65.34 ? 30 VAL K N 1 +ATOM 18588 C CA . VAL J 10 21 ? 32.616 -73.992 -55.724 1.00 61.55 ? 30 VAL K CA 1 +ATOM 18589 C C . VAL J 10 21 ? 32.185 -75.289 -55.066 1.00 69.17 ? 30 VAL K C 1 +ATOM 18590 O O . VAL J 10 21 ? 31.885 -75.323 -53.861 1.00 65.04 ? 30 VAL K O 1 +ATOM 18591 C CB . VAL J 10 21 ? 31.393 -73.222 -56.271 1.00 62.42 ? 30 VAL K CB 1 +ATOM 18592 C CG1 . VAL J 10 21 ? 30.321 -73.060 -55.203 1.00 67.82 ? 30 VAL K CG1 1 +ATOM 18593 C CG2 . VAL J 10 21 ? 31.822 -71.873 -56.828 1.00 64.47 ? 30 VAL K CG2 1 +ATOM 18594 N N . LEU J 10 22 ? 32.153 -76.378 -55.834 1.00 61.16 ? 31 LEU K N 1 +ATOM 18595 C CA . LEU J 10 22 ? 31.702 -77.651 -55.287 1.00 62.66 ? 31 LEU K CA 1 +ATOM 18596 C C . LEU J 10 22 ? 32.681 -78.199 -54.252 1.00 61.28 ? 31 LEU K C 1 +ATOM 18597 O O . LEU J 10 22 ? 32.272 -78.932 -53.342 1.00 59.77 ? 31 LEU K O 1 +ATOM 18598 C CB . LEU J 10 22 ? 31.476 -78.643 -56.427 1.00 67.90 ? 31 LEU K CB 1 +ATOM 18599 C CG . LEU J 10 22 ? 30.419 -78.163 -57.426 1.00 67.48 ? 31 LEU K CG 1 +ATOM 18600 C CD1 . LEU J 10 22 ? 30.262 -79.138 -58.592 1.00 69.78 ? 31 LEU K CD1 1 +ATOM 18601 C CD2 . LEU J 10 22 ? 29.093 -77.973 -56.703 1.00 67.03 ? 31 LEU K CD2 1 +ATOM 18602 N N . PHE J 10 23 ? 33.964 -77.842 -54.347 1.00 55.52 ? 32 PHE K N 1 +ATOM 18603 C CA . PHE J 10 23 ? 34.893 -78.271 -53.307 1.00 55.98 ? 32 PHE K CA 1 +ATOM 18604 C C . PHE J 10 23 ? 34.531 -77.656 -51.961 1.00 57.86 ? 32 PHE K C 1 +ATOM 18605 O O . PHE J 10 23 ? 34.598 -78.333 -50.928 1.00 64.62 ? 32 PHE K O 1 +ATOM 18606 C CB . PHE J 10 23 ? 36.330 -77.936 -53.703 1.00 61.33 ? 32 PHE K CB 1 +ATOM 18607 C CG . PHE J 10 23 ? 36.914 -78.886 -54.712 1.00 72.99 ? 32 PHE K CG 1 +ATOM 18608 C CD1 . PHE J 10 23 ? 37.530 -80.067 -54.303 1.00 69.72 ? 32 PHE K CD1 1 +ATOM 18609 C CD2 . PHE J 10 23 ? 36.835 -78.614 -56.072 1.00 60.60 ? 32 PHE K CD2 1 +ATOM 18610 C CE1 . PHE J 10 23 ? 38.060 -80.968 -55.237 1.00 62.54 ? 32 PHE K CE1 1 +ATOM 18611 C CE2 . PHE J 10 23 ? 37.374 -79.510 -57.010 1.00 69.03 ? 32 PHE K CE2 1 +ATOM 18612 C CZ . PHE J 10 23 ? 37.986 -80.684 -56.586 1.00 65.56 ? 32 PHE K CZ 1 +ATOM 18613 N N . LEU J 10 24 ? 34.121 -76.383 -51.950 1.00 62.97 ? 33 LEU K N 1 +ATOM 18614 C CA . LEU J 10 24 ? 33.716 -75.761 -50.692 1.00 60.35 ? 33 LEU K CA 1 +ATOM 18615 C C . LEU J 10 24 ? 32.486 -76.454 -50.123 1.00 54.69 ? 33 LEU K C 1 +ATOM 18616 O O . LEU J 10 24 ? 32.411 -76.720 -48.919 1.00 60.72 ? 33 LEU K O 1 +ATOM 18617 C CB . LEU J 10 24 ? 33.453 -74.265 -50.906 1.00 57.20 ? 33 LEU K CB 1 +ATOM 18618 C CG . LEU J 10 24 ? 32.866 -73.518 -49.717 1.00 58.11 ? 33 LEU K CG 1 +ATOM 18619 C CD1 . LEU J 10 24 ? 33.805 -73.617 -48.538 1.00 58.02 ? 33 LEU K CD1 1 +ATOM 18620 C CD2 . LEU J 10 24 ? 32.598 -72.056 -50.079 1.00 67.63 ? 33 LEU K CD2 1 +ATOM 18621 N N . ALA J 10 25 ? 31.522 -76.782 -50.985 1.00 61.61 ? 34 ALA K N 1 +ATOM 18622 C CA . ALA J 10 25 ? 30.341 -77.505 -50.529 1.00 67.05 ? 34 ALA K CA 1 +ATOM 18623 C C . ALA J 10 25 ? 30.705 -78.906 -50.043 1.00 72.71 ? 34 ALA K C 1 +ATOM 18624 O O . ALA J 10 25 ? 30.109 -79.409 -49.079 1.00 62.41 ? 34 ALA K O 1 +ATOM 18625 C CB . ALA J 10 25 ? 29.307 -77.571 -51.655 1.00 64.24 ? 34 ALA K CB 1 +ATOM 18626 N N . LEU J 10 26 ? 31.692 -79.545 -50.690 1.00 60.68 ? 35 LEU K N 1 +ATOM 18627 C CA . LEU J 10 26 ? 32.097 -80.890 -50.274 1.00 65.85 ? 35 LEU K CA 1 +ATOM 18628 C C . LEU J 10 26 ? 32.647 -80.889 -48.852 1.00 74.18 ? 35 LEU K C 1 +ATOM 18629 O O . LEU J 10 26 ? 32.414 -81.840 -48.093 1.00 61.24 ? 35 LEU K O 1 +ATOM 18630 C CB . LEU J 10 26 ? 33.139 -81.466 -51.236 1.00 58.64 ? 35 LEU K CB 1 +ATOM 18631 C CG . LEU J 10 26 ? 33.451 -82.958 -51.048 1.00 65.03 ? 35 LEU K CG 1 +ATOM 18632 C CD1 . LEU J 10 26 ? 32.159 -83.749 -51.078 1.00 57.93 ? 35 LEU K CD1 1 +ATOM 18633 C CD2 . LEU J 10 26 ? 34.380 -83.441 -52.138 1.00 58.12 ? 35 LEU K CD2 1 +ATOM 18634 N N . ALA J 10 27 ? 33.375 -79.822 -48.469 1.00 61.30 ? 36 ALA K N 1 +ATOM 18635 C CA . ALA J 10 27 ? 33.931 -79.756 -47.121 1.00 57.15 ? 36 ALA K CA 1 +ATOM 18636 C C . ALA J 10 27 ? 32.842 -79.892 -46.074 1.00 61.62 ? 36 ALA K C 1 +ATOM 18637 O O . ALA J 10 27 ? 33.078 -80.457 -44.998 1.00 61.63 ? 36 ALA K O 1 +ATOM 18638 C CB . ALA J 10 27 ? 34.703 -78.452 -46.922 1.00 65.10 ? 36 ALA K CB 1 +ATOM 18639 N N . PHE J 10 28 ? 31.632 -79.426 -46.390 1.00 58.53 ? 37 PHE K N 1 +ATOM 18640 C CA . PHE J 10 28 ? 30.535 -79.516 -45.436 1.00 63.20 ? 37 PHE K CA 1 +ATOM 18641 C C . PHE J 10 28 ? 29.847 -80.875 -45.473 1.00 63.42 ? 37 PHE K C 1 +ATOM 18642 O O . PHE J 10 28 ? 29.348 -81.335 -44.441 1.00 65.65 ? 37 PHE K O 1 +ATOM 18643 C CB . PHE J 10 28 ? 29.524 -78.394 -45.688 1.00 59.59 ? 37 PHE K CB 1 +ATOM 18644 C CG . PHE J 10 28 ? 30.001 -77.048 -45.226 1.00 61.87 ? 37 PHE K CG 1 +ATOM 18645 C CD1 . PHE J 10 28 ? 30.844 -76.282 -46.026 1.00 60.38 ? 37 PHE K CD1 1 +ATOM 18646 C CD2 . PHE J 10 28 ? 29.624 -76.553 -43.989 1.00 64.00 ? 37 PHE K CD2 1 +ATOM 18647 C CE1 . PHE J 10 28 ? 31.300 -75.031 -45.594 1.00 66.14 ? 37 PHE K CE1 1 +ATOM 18648 C CE2 . PHE J 10 28 ? 30.076 -75.306 -43.550 1.00 68.80 ? 37 PHE K CE2 1 +ATOM 18649 C CZ . PHE J 10 28 ? 30.914 -74.545 -44.361 1.00 59.86 ? 37 PHE K CZ 1 +ATOM 18650 N N . VAL J 10 29 ? 29.800 -81.529 -46.633 1.00 59.14 ? 38 VAL K N 1 +ATOM 18651 C CA . VAL J 10 29 ? 29.299 -82.902 -46.669 1.00 74.05 ? 38 VAL K CA 1 +ATOM 18652 C C . VAL J 10 29 ? 30.215 -83.805 -45.854 1.00 61.05 ? 38 VAL K C 1 +ATOM 18653 O O . VAL J 10 29 ? 29.759 -84.590 -45.019 1.00 65.38 ? 38 VAL K O 1 +ATOM 18654 C CB . VAL J 10 29 ? 29.155 -83.393 -48.122 1.00 69.98 ? 38 VAL K CB 1 +ATOM 18655 C CG1 . VAL J 10 29 ? 28.742 -84.872 -48.155 1.00 58.05 ? 38 VAL K CG1 1 +ATOM 18656 C CG2 . VAL J 10 29 ? 28.138 -82.523 -48.878 1.00 59.99 ? 38 VAL K CG2 1 +ATOM 18657 N N . TRP J 10 30 ? 31.526 -83.661 -46.054 1.00 63.84 ? 39 TRP K N 1 +ATOM 18658 C CA . TRP J 10 30 ? 32.503 -84.398 -45.265 1.00 60.27 ? 39 TRP K CA 1 +ATOM 18659 C C . TRP J 10 30 ? 32.301 -84.163 -43.774 1.00 71.51 ? 39 TRP K C 1 +ATOM 18660 O O . TRP J 10 30 ? 32.208 -85.120 -42.988 1.00 67.39 ? 39 TRP K O 1 +ATOM 18661 C CB . TRP J 10 30 ? 33.906 -83.991 -45.702 1.00 63.64 ? 39 TRP K CB 1 +ATOM 18662 C CG . TRP J 10 30 ? 35.013 -84.413 -44.798 1.00 69.19 ? 39 TRP K CG 1 +ATOM 18663 C CD1 . TRP J 10 30 ? 35.254 -85.674 -44.308 1.00 75.43 ? 39 TRP K CD1 1 +ATOM 18664 C CD2 . TRP J 10 30 ? 36.068 -83.582 -44.301 1.00 81.26 ? 39 TRP K CD2 1 +ATOM 18665 N NE1 . TRP J 10 30 ? 36.383 -85.668 -43.522 1.00 67.16 ? 39 TRP K NE1 1 +ATOM 18666 C CE2 . TRP J 10 30 ? 36.904 -84.400 -43.499 1.00 74.03 ? 39 TRP K CE2 1 +ATOM 18667 C CE3 . TRP J 10 30 ? 36.386 -82.222 -44.447 1.00 65.81 ? 39 TRP K CE3 1 +ATOM 18668 C CZ2 . TRP J 10 30 ? 38.034 -83.903 -42.848 1.00 73.58 ? 39 TRP K CZ2 1 +ATOM 18669 C CZ3 . TRP J 10 30 ? 37.511 -81.728 -43.803 1.00 64.79 ? 39 TRP K CZ3 1 +ATOM 18670 C CH2 . TRP J 10 30 ? 38.325 -82.568 -43.018 1.00 78.38 ? 39 TRP K CH2 1 +ATOM 18671 N N . GLN J 10 31 ? 32.212 -82.891 -43.363 1.00 66.70 ? 40 GLN K N 1 +ATOM 18672 C CA . GLN J 10 31 ? 32.083 -82.593 -41.942 1.00 68.72 ? 40 GLN K CA 1 +ATOM 18673 C C . GLN J 10 31 ? 30.773 -83.111 -41.368 1.00 59.92 ? 40 GLN K C 1 +ATOM 18674 O O . GLN J 10 31 ? 30.712 -83.429 -40.182 1.00 65.32 ? 40 GLN K O 1 +ATOM 18675 C CB . GLN J 10 31 ? 32.215 -81.091 -41.697 1.00 63.31 ? 40 GLN K CB 1 +ATOM 18676 C CG . GLN J 10 31 ? 33.653 -80.643 -41.616 1.00 71.35 ? 40 GLN K CG 1 +ATOM 18677 C CD . GLN J 10 31 ? 34.436 -81.439 -40.588 1.00 68.26 ? 40 GLN K CD 1 +ATOM 18678 O OE1 . GLN J 10 31 ? 34.155 -81.355 -39.390 1.00 75.30 ? 40 GLN K OE1 1 +ATOM 18679 N NE2 . GLN J 10 31 ? 35.413 -82.231 -41.048 1.00 62.57 ? 40 GLN K NE2 1 +ATOM 18680 N N . ALA J 10 32 ? 29.719 -83.196 -42.177 1.00 61.10 ? 41 ALA K N 1 +ATOM 18681 C CA . ALA J 10 32 ? 28.473 -83.740 -41.656 1.00 66.12 ? 41 ALA K CA 1 +ATOM 18682 C C . ALA J 10 32 ? 28.574 -85.251 -41.470 1.00 73.65 ? 41 ALA K C 1 +ATOM 18683 O O . ALA J 10 32 ? 28.008 -85.803 -40.517 1.00 75.72 ? 41 ALA K O 1 +ATOM 18684 C CB . ALA J 10 32 ? 27.309 -83.383 -42.579 1.00 61.75 ? 41 ALA K CB 1 +ATOM 18685 N N . ALA J 10 33 ? 29.306 -85.932 -42.359 1.00 63.08 ? 42 ALA K N 1 +ATOM 18686 C CA . ALA J 10 33 ? 29.487 -87.374 -42.221 1.00 68.76 ? 42 ALA K CA 1 +ATOM 18687 C C . ALA J 10 33 ? 30.227 -87.727 -40.931 1.00 72.27 ? 42 ALA K C 1 +ATOM 18688 O O . ALA J 10 33 ? 29.900 -88.726 -40.284 1.00 80.88 ? 42 ALA K O 1 +ATOM 18689 C CB . ALA J 10 33 ? 30.228 -87.933 -43.436 1.00 58.20 ? 42 ALA K CB 1 +ATOM 18690 N N . VAL J 10 34 ? 31.220 -86.927 -40.535 1.00 67.78 ? 43 VAL K N 1 +ATOM 18691 C CA . VAL J 10 34 ? 31.968 -87.200 -39.311 1.00 63.14 ? 43 VAL K CA 1 +ATOM 18692 C C . VAL J 10 34 ? 31.423 -86.422 -38.116 1.00 65.70 ? 43 VAL K C 1 +ATOM 18693 O O . VAL J 10 34 ? 32.073 -86.378 -37.067 1.00 66.00 ? 43 VAL K O 1 +ATOM 18694 C CB . VAL J 10 34 ? 33.472 -86.936 -39.492 1.00 71.77 ? 43 VAL K CB 1 +ATOM 18695 C CG1 . VAL J 10 34 ? 34.014 -87.742 -40.677 1.00 69.66 ? 43 VAL K CG1 1 +ATOM 18696 C CG2 . VAL J 10 34 ? 33.745 -85.452 -39.673 1.00 64.06 ? 43 VAL K CG2 1 +ATOM 18697 N N . GLY J 10 35 ? 30.246 -85.812 -38.243 1.00 65.48 ? 44 GLY K N 1 +ATOM 18698 C CA . GLY J 10 35 ? 29.620 -85.203 -37.078 1.00 63.78 ? 44 GLY K CA 1 +ATOM 18699 C C . GLY J 10 35 ? 30.225 -83.897 -36.573 1.00 76.74 ? 44 GLY K C 1 +ATOM 18700 O O . GLY J 10 35 ? 30.037 -83.559 -35.394 1.00 66.15 ? 44 GLY K O 1 +ATOM 18701 N N . PHE J 10 36 ? 30.950 -83.153 -37.419 1.00 60.79 ? 45 PHE K N 1 +ATOM 18702 C CA . PHE J 10 36 ? 31.515 -81.855 -37.024 1.00 82.29 ? 45 PHE K CA 1 +ATOM 18703 C C . PHE J 10 36 ? 32.350 -81.966 -35.745 1.00 65.93 ? 45 PHE K C 1 +ATOM 18704 O O . PHE J 10 36 ? 32.301 -81.104 -34.867 1.00 76.28 ? 45 PHE K O 1 +ATOM 18705 C CB . PHE J 10 36 ? 30.413 -80.804 -36.849 1.00 64.43 ? 45 PHE K CB 1 +ATOM 18706 C CG . PHE J 10 36 ? 29.639 -80.518 -38.099 1.00 72.35 ? 45 PHE K CG 1 +ATOM 18707 C CD1 . PHE J 10 36 ? 30.165 -79.702 -39.076 1.00 70.57 ? 45 PHE K CD1 1 +ATOM 18708 C CD2 . PHE J 10 36 ? 28.375 -81.061 -38.292 1.00 67.11 ? 45 PHE K CD2 1 +ATOM 18709 C CE1 . PHE J 10 36 ? 29.447 -79.437 -40.236 1.00 70.66 ? 45 PHE K CE1 1 +ATOM 18710 C CE2 . PHE J 10 36 ? 27.652 -80.789 -39.448 1.00 71.20 ? 45 PHE K CE2 1 +ATOM 18711 C CZ . PHE J 10 36 ? 28.190 -79.975 -40.411 1.00 66.03 ? 45 PHE K CZ 1 +ATOM 18712 N N . ARG J 10 37 ? 33.129 -83.033 -35.646 1.00 72.22 ? 46 ARG K N 1 +ATOM 18713 C CA . ARG J 10 37 ? 33.845 -83.391 -34.419 1.00 74.21 ? 46 ARG K CA 1 +ATOM 18714 C C . ARG J 10 37 ? 35.036 -82.478 -34.113 1.00 69.87 ? 46 ARG K C 1 +ATOM 18715 O O . ARG J 10 37 ? 35.537 -81.755 -34.983 1.00 65.51 ? 46 ARG K O 1 +ATOM 18716 C CB . ARG J 10 37 ? 34.340 -84.835 -34.523 1.00 83.62 ? 46 ARG K CB 1 +ATOM 18717 C CG . ARG J 10 37 ? 35.431 -84.984 -35.581 1.00 88.29 ? 46 ARG K CG 1 +ATOM 18718 C CD . ARG J 10 37 ? 35.771 -86.425 -35.922 1.00 78.55 ? 46 ARG K CD 1 +ATOM 18719 N NE . ARG J 10 37 ? 36.462 -86.469 -37.208 1.00 106.23 ? 46 ARG K NE 1 +ATOM 18720 C CZ . ARG J 10 37 ? 36.915 -87.568 -37.799 1.00 95.96 ? 46 ARG K CZ 1 +ATOM 18721 N NH1 . ARG J 10 37 ? 36.787 -88.760 -37.237 1.00 105.85 ? 46 ARG K NH1 1 +ATOM 18722 N NH2 . ARG J 10 37 ? 37.515 -87.466 -38.982 1.00 107.07 ? 46 ARG K NH2 1 +ATOM 18723 O OXT . ARG J 10 37 ? 35.539 -82.470 -32.981 1.00 69.11 ? 46 ARG K OXT 1 +ATOM 18724 N N . GLU K 11 2 ? 2.385 -32.976 13.289 1.00 144.04 ? 2 GLU L N 1 +ATOM 18725 C CA . GLU K 11 2 ? 1.678 -34.110 12.704 1.00 154.21 ? 2 GLU L CA 1 +ATOM 18726 C C . GLU K 11 2 ? 2.407 -34.600 11.445 1.00 151.92 ? 2 GLU L C 1 +ATOM 18727 O O . GLU K 11 2 ? 1.978 -34.316 10.322 1.00 149.99 ? 2 GLU L O 1 +ATOM 18728 C CB . GLU K 11 2 ? 0.238 -33.715 12.380 1.00 147.64 ? 2 GLU L CB 1 +ATOM 18729 C CG . GLU K 11 2 ? -0.680 -34.879 12.076 1.00 129.56 ? 2 GLU L CG 1 +ATOM 18730 C CD . GLU K 11 2 ? -2.040 -34.421 11.594 1.00 152.01 ? 2 GLU L CD 1 +ATOM 18731 O OE1 . GLU K 11 2 ? -2.120 -33.309 11.013 1.00 148.03 ? 2 GLU L OE1 1 +ATOM 18732 O OE2 . GLU K 11 2 ? -3.029 -35.168 11.791 1.00 141.64 ? 2 GLU L OE2 1 +ATOM 18733 N N . PRO K 11 3 ? 3.505 -35.339 11.632 1.00 120.22 ? 3 PRO L N 1 +ATOM 18734 C CA . PRO K 11 3 ? 4.421 -35.607 10.510 1.00 106.56 ? 3 PRO L CA 1 +ATOM 18735 C C . PRO K 11 3 ? 3.909 -36.735 9.623 1.00 93.62 ? 3 PRO L C 1 +ATOM 18736 O O . PRO K 11 3 ? 3.513 -37.796 10.108 1.00 84.97 ? 3 PRO L O 1 +ATOM 18737 C CB . PRO K 11 3 ? 5.729 -35.991 11.209 1.00 83.55 ? 3 PRO L CB 1 +ATOM 18738 C CG . PRO K 11 3 ? 5.266 -36.640 12.495 1.00 123.78 ? 3 PRO L CG 1 +ATOM 18739 C CD . PRO K 11 3 ? 3.957 -35.973 12.884 1.00 111.39 ? 3 PRO L CD 1 +ATOM 18740 N N . ASN K 11 4 ? 3.924 -36.502 8.318 1.00 80.27 ? 4 ASN L N 1 +ATOM 18741 C CA . ASN K 11 4 ? 3.417 -37.497 7.391 1.00 67.15 ? 4 ASN L CA 1 +ATOM 18742 C C . ASN K 11 4 ? 4.438 -38.623 7.237 1.00 83.43 ? 4 ASN L C 1 +ATOM 18743 O O . ASN K 11 4 ? 5.616 -38.353 6.961 1.00 70.56 ? 4 ASN L O 1 +ATOM 18744 C CB . ASN K 11 4 ? 3.114 -36.846 6.041 1.00 70.61 ? 4 ASN L CB 1 +ATOM 18745 C CG . ASN K 11 4 ? 2.416 -37.784 5.093 1.00 66.94 ? 4 ASN L CG 1 +ATOM 18746 O OD1 . ASN K 11 4 ? 3.009 -38.754 4.618 1.00 67.95 ? 4 ASN L OD1 1 +ATOM 18747 N ND2 . ASN K 11 4 ? 1.151 -37.500 4.799 1.00 64.32 ? 4 ASN L ND2 1 +ATOM 18748 N N . PRO K 11 5 ? 4.039 -39.889 7.402 1.00 71.03 ? 5 PRO L N 1 +ATOM 18749 C CA . PRO K 11 5 ? 5.027 -40.977 7.383 1.00 80.30 ? 5 PRO L CA 1 +ATOM 18750 C C . PRO K 11 5 ? 5.477 -41.363 5.987 1.00 83.03 ? 5 PRO L C 1 +ATOM 18751 O O . PRO K 11 5 ? 6.395 -42.188 5.861 1.00 81.30 ? 5 PRO L O 1 +ATOM 18752 C CB . PRO K 11 5 ? 4.274 -42.136 8.052 1.00 63.45 ? 5 PRO L CB 1 +ATOM 18753 C CG . PRO K 11 5 ? 2.864 -41.931 7.584 1.00 71.22 ? 5 PRO L CG 1 +ATOM 18754 C CD . PRO K 11 5 ? 2.665 -40.411 7.511 1.00 72.48 ? 5 PRO L CD 1 +ATOM 18755 N N . ASN K 11 6 ? 4.872 -40.806 4.940 1.00 77.43 ? 6 ASN L N 1 +ATOM 18756 C CA . ASN K 11 6 ? 5.141 -41.255 3.582 1.00 71.12 ? 6 ASN L CA 1 +ATOM 18757 C C . ASN K 11 6 ? 6.302 -40.526 2.922 1.00 64.28 ? 6 ASN L C 1 +ATOM 18758 O O . ASN K 11 6 ? 6.685 -40.887 1.805 1.00 71.65 ? 6 ASN L O 1 +ATOM 18759 C CB . ASN K 11 6 ? 3.881 -41.102 2.733 1.00 70.34 ? 6 ASN L CB 1 +ATOM 18760 C CG . ASN K 11 6 ? 2.748 -41.968 3.232 1.00 82.78 ? 6 ASN L CG 1 +ATOM 18761 O OD1 . ASN K 11 6 ? 2.737 -43.175 2.988 1.00 90.83 ? 6 ASN L OD1 1 +ATOM 18762 N ND2 . ASN K 11 6 ? 1.787 -41.364 3.940 1.00 67.48 ? 6 ASN L ND2 1 +ATOM 18763 N N . ARG K 11 7 ? 6.872 -39.518 3.574 1.00 67.28 ? 7 ARG L N 1 +ATOM 18764 C CA . ARG K 11 7 ? 7.955 -38.771 2.955 1.00 72.49 ? 7 ARG L CA 1 +ATOM 18765 C C . ARG K 11 7 ? 9.159 -39.675 2.710 1.00 76.89 ? 7 ARG L C 1 +ATOM 18766 O O . ARG K 11 7 ? 9.384 -40.651 3.424 1.00 82.26 ? 7 ARG L O 1 +ATOM 18767 C CB . ARG K 11 7 ? 8.320 -37.573 3.825 1.00 60.64 ? 7 ARG L CB 1 +ATOM 18768 C CG . ARG K 11 7 ? 7.297 -36.443 3.690 1.00 121.40 ? 7 ARG L CG 1 +ATOM 18769 C CD . ARG K 11 7 ? 7.562 -35.294 4.644 1.00 123.11 ? 7 ARG L CD 1 +ATOM 18770 N NE . ARG K 11 7 ? 7.302 -35.701 6.019 1.00 151.17 ? 7 ARG L NE 1 +ATOM 18771 C CZ . ARG K 11 7 ? 7.405 -34.907 7.076 1.00 155.53 ? 7 ARG L CZ 1 +ATOM 18772 N NH1 . ARG K 11 7 ? 7.760 -33.636 6.956 1.00 172.28 ? 7 ARG L NH1 1 +ATOM 18773 N NH2 . ARG K 11 7 ? 7.149 -35.403 8.286 1.00 152.12 ? 7 ARG L NH2 1 +ATOM 18774 N N . GLN K 11 8 ? 9.911 -39.364 1.654 1.00 74.22 ? 8 GLN L N 1 +ATOM 18775 C CA . GLN K 11 8 ? 11.063 -40.141 1.214 1.00 69.26 ? 8 GLN L CA 1 +ATOM 18776 C C . GLN K 11 8 ? 12.093 -39.183 0.633 1.00 67.72 ? 8 GLN L C 1 +ATOM 18777 O O . GLN K 11 8 ? 11.718 -38.242 -0.075 1.00 66.27 ? 8 GLN L O 1 +ATOM 18778 C CB . GLN K 11 8 ? 10.660 -41.163 0.145 1.00 70.57 ? 8 GLN L CB 1 +ATOM 18779 C CG . GLN K 11 8 ? 10.102 -42.444 0.675 1.00 77.55 ? 8 GLN L CG 1 +ATOM 18780 C CD . GLN K 11 8 ? 11.189 -43.448 0.924 1.00 84.33 ? 8 GLN L CD 1 +ATOM 18781 O OE1 . GLN K 11 8 ? 12.014 -43.716 0.051 1.00 103.55 ? 8 GLN L OE1 1 +ATOM 18782 N NE2 . GLN K 11 8 ? 11.220 -43.994 2.127 1.00 109.30 ? 8 GLN L NE2 1 +ATOM 18783 N N . PRO K 11 9 ? 13.382 -39.385 0.898 1.00 61.14 ? 9 PRO L N 1 +ATOM 18784 C CA . PRO K 11 9 ? 14.394 -38.547 0.248 1.00 58.11 ? 9 PRO L CA 1 +ATOM 18785 C C . PRO K 11 9 ? 14.531 -38.863 -1.241 1.00 55.23 ? 9 PRO L C 1 +ATOM 18786 O O . PRO K 11 9 ? 14.280 -39.979 -1.703 1.00 56.37 ? 9 PRO L O 1 +ATOM 18787 C CB . PRO K 11 9 ? 15.679 -38.883 1.012 1.00 59.27 ? 9 PRO L CB 1 +ATOM 18788 C CG . PRO K 11 9 ? 15.469 -40.269 1.478 1.00 65.77 ? 9 PRO L CG 1 +ATOM 18789 C CD . PRO K 11 9 ? 13.989 -40.385 1.792 1.00 60.67 ? 9 PRO L CD 1 +ATOM 18790 N N . VAL K 11 10 ? 14.952 -37.852 -1.988 1.00 47.81 ? 10 VAL L N 1 +ATOM 18791 C CA . VAL K 11 10 ? 15.124 -37.923 -3.432 1.00 53.89 ? 10 VAL L CA 1 +ATOM 18792 C C . VAL K 11 10 ? 16.609 -37.830 -3.734 1.00 47.78 ? 10 VAL L C 1 +ATOM 18793 O O . VAL K 11 10 ? 17.345 -37.121 -3.046 1.00 49.84 ? 10 VAL L O 1 +ATOM 18794 C CB . VAL K 11 10 ? 14.347 -36.792 -4.144 1.00 54.96 ? 10 VAL L CB 1 +ATOM 18795 C CG1 . VAL K 11 10 ? 14.398 -36.976 -5.643 1.00 54.51 ? 10 VAL L CG1 1 +ATOM 18796 C CG2 . VAL K 11 10 ? 12.917 -36.789 -3.664 1.00 68.65 ? 10 VAL L CG2 1 +ATOM 18797 N N . GLU K 11 11 ? 17.049 -38.539 -4.761 1.00 46.29 ? 11 GLU L N 1 +ATOM 18798 C CA . GLU K 11 11 ? 18.452 -38.514 -5.144 1.00 55.45 ? 11 GLU L CA 1 +ATOM 18799 C C . GLU K 11 11 ? 18.595 -38.310 -6.642 1.00 50.70 ? 11 GLU L C 1 +ATOM 18800 O O . GLU K 11 11 ? 17.741 -38.722 -7.433 1.00 57.38 ? 11 GLU L O 1 +ATOM 18801 C CB . GLU K 11 11 ? 19.162 -39.799 -4.742 1.00 51.62 ? 11 GLU L CB 1 +ATOM 18802 C CG . GLU K 11 11 ? 18.652 -41.003 -5.490 1.00 55.94 ? 11 GLU L CG 1 +ATOM 18803 C CD . GLU K 11 11 ? 19.618 -42.154 -5.414 1.00 70.71 ? 11 GLU L CD 1 +ATOM 18804 O OE1 . GLU K 11 11 ? 19.635 -42.827 -4.349 1.00 66.92 ? 11 GLU L OE1 1 +ATOM 18805 O OE2 . GLU K 11 11 ? 20.377 -42.356 -6.405 1.00 57.76 ? 11 GLU L OE2 1 +ATOM 18806 N N . LEU K 11 12 ? 19.691 -37.655 -7.020 1.00 49.00 ? 12 LEU L N 1 +ATOM 18807 C CA . LEU K 11 12 ? 20.168 -37.642 -8.399 1.00 46.61 ? 12 LEU L CA 1 +ATOM 18808 C C . LEU K 11 12 ? 21.687 -37.729 -8.340 1.00 46.97 ? 12 LEU L C 1 +ATOM 18809 O O . LEU K 11 12 ? 22.332 -36.782 -7.887 1.00 50.31 ? 12 LEU L O 1 +ATOM 18810 C CB . LEU K 11 12 ? 19.727 -36.381 -9.147 1.00 41.47 ? 12 LEU L CB 1 +ATOM 18811 C CG . LEU K 11 12 ? 20.048 -36.480 -10.656 1.00 44.72 ? 12 LEU L CG 1 +ATOM 18812 C CD1 . LEU K 11 12 ? 18.880 -37.099 -11.418 1.00 47.97 ? 12 LEU L CD1 1 +ATOM 18813 C CD2 . LEU K 11 12 ? 20.435 -35.152 -11.306 1.00 44.92 ? 12 LEU L CD2 1 +ATOM 18814 N N . ASN K 11 13 ? 22.269 -38.829 -8.820 1.00 46.29 ? 13 ASN L N 1 +ATOM 18815 C CA . ASN K 11 13 ? 23.717 -38.935 -8.700 1.00 42.71 ? 13 ASN L CA 1 +ATOM 18816 C C . ASN K 11 13 ? 24.407 -38.142 -9.811 1.00 47.98 ? 13 ASN L C 1 +ATOM 18817 O O . ASN K 11 13 ? 23.773 -37.630 -10.738 1.00 48.94 ? 13 ASN L O 1 +ATOM 18818 C CB . ASN K 11 13 ? 24.171 -40.404 -8.688 1.00 41.48 ? 13 ASN L CB 1 +ATOM 18819 C CG . ASN K 11 13 ? 23.713 -41.188 -9.920 1.00 52.44 ? 13 ASN L CG 1 +ATOM 18820 O OD1 . ASN K 11 13 ? 23.678 -40.675 -11.038 1.00 52.73 ? 13 ASN L OD1 1 +ATOM 18821 N ND2 . ASN K 11 13 ? 23.354 -42.443 -9.707 1.00 55.17 ? 13 ASN L ND2 1 +ATOM 18822 N N . ARG K 11 14 ? 25.732 -38.048 -9.705 1.00 47.61 ? 14 ARG L N 1 +ATOM 18823 C CA . ARG K 11 14 ? 26.491 -37.181 -10.600 1.00 48.57 ? 14 ARG L CA 1 +ATOM 18824 C C . ARG K 11 14 ? 26.429 -37.659 -12.045 1.00 51.41 ? 14 ARG L C 1 +ATOM 18825 O O . ARG K 11 14 ? 26.358 -36.846 -12.986 1.00 51.47 ? 14 ARG L O 1 +ATOM 18826 C CB . ARG K 11 14 ? 27.944 -37.084 -10.131 1.00 44.43 ? 14 ARG L CB 1 +ATOM 18827 C CG . ARG K 11 14 ? 28.652 -35.879 -10.753 1.00 53.41 ? 14 ARG L CG 1 +ATOM 18828 C CD . ARG K 11 14 ? 30.142 -35.919 -10.572 1.00 58.48 ? 14 ARG L CD 1 +ATOM 18829 N NE . ARG K 11 14 ? 30.520 -35.766 -9.176 1.00 62.43 ? 14 ARG L NE 1 +ATOM 18830 C CZ . ARG K 11 14 ? 31.767 -35.801 -8.726 1.00 69.83 ? 14 ARG L CZ 1 +ATOM 18831 N NH1 . ARG K 11 14 ? 32.800 -35.902 -9.549 1.00 55.48 ? 14 ARG L NH1 1 +ATOM 18832 N NH2 . ARG K 11 14 ? 31.981 -35.740 -7.415 1.00 74.24 ? 14 ARG L NH2 1 +ATOM 18833 N N A THR K 11 15 ? 26.461 -38.969 -12.250 0.40 51.64 ? 15 THR L N 1 +ATOM 18834 N N B THR K 11 15 ? 26.472 -38.975 -12.249 0.60 51.71 ? 15 THR L N 1 +ATOM 18835 C CA A THR K 11 15 ? 26.381 -39.502 -13.604 0.40 52.74 ? 15 THR L CA 1 +ATOM 18836 C CA B THR K 11 15 ? 26.388 -39.515 -13.603 0.60 52.83 ? 15 THR L CA 1 +ATOM 18837 C C A THR K 11 15 ? 25.034 -39.175 -14.237 0.40 48.27 ? 15 THR L C 1 +ATOM 18838 C C B THR K 11 15 ? 25.038 -39.197 -14.238 0.60 48.32 ? 15 THR L C 1 +ATOM 18839 O O A THR K 11 15 ? 24.961 -38.873 -15.435 0.40 44.77 ? 15 THR L O 1 +ATOM 18840 O O B THR K 11 15 ? 24.963 -38.897 -15.439 0.60 44.68 ? 15 THR L O 1 +ATOM 18841 C CB A THR K 11 15 ? 26.632 -41.014 -13.591 0.40 52.77 ? 15 THR L CB 1 +ATOM 18842 C CB B THR K 11 15 ? 26.649 -41.027 -13.577 0.60 52.78 ? 15 THR L CB 1 +ATOM 18843 O OG1 A THR K 11 15 ? 28.002 -41.246 -13.261 0.40 52.81 ? 15 THR L OG1 1 +ATOM 18844 O OG1 B THR K 11 15 ? 27.998 -41.257 -13.155 0.60 52.81 ? 15 THR L OG1 1 +ATOM 18845 C CG2 A THR K 11 15 ? 26.346 -41.634 -14.961 0.40 46.99 ? 15 THR L CG2 1 +ATOM 18846 C CG2 B THR K 11 15 ? 26.451 -41.657 -14.954 0.60 46.78 ? 15 THR L CG2 1 +ATOM 18847 N N . SER K 11 16 ? 23.962 -39.235 -13.437 1.00 49.34 ? 16 SER L N 1 +ATOM 18848 C CA . SER K 11 16 ? 22.639 -38.907 -13.951 1.00 47.51 ? 16 SER L CA 1 +ATOM 18849 C C . SER K 11 16 ? 22.549 -37.439 -14.326 1.00 46.97 ? 16 SER L C 1 +ATOM 18850 O O . SER K 11 16 ? 21.900 -37.096 -15.315 1.00 46.66 ? 16 SER L O 1 +ATOM 18851 C CB . SER K 11 16 ? 21.570 -39.263 -12.927 1.00 44.48 ? 16 SER L CB 1 +ATOM 18852 O OG . SER K 11 16 ? 21.552 -40.667 -12.726 1.00 47.71 ? 16 SER L OG 1 +ATOM 18853 N N . LEU K 11 17 ? 23.192 -36.565 -13.536 1.00 47.83 ? 17 LEU L N 1 +ATOM 18854 C CA . LEU K 11 17 ? 23.286 -35.154 -13.882 1.00 47.06 ? 17 LEU L CA 1 +ATOM 18855 C C . LEU K 11 17 ? 23.986 -34.960 -15.223 1.00 47.80 ? 17 LEU L C 1 +ATOM 18856 O O . LEU K 11 17 ? 23.522 -34.185 -16.066 1.00 44.07 ? 17 LEU L O 1 +ATOM 18857 C CB . LEU K 11 17 ? 24.026 -34.386 -12.786 1.00 46.05 ? 17 LEU L CB 1 +ATOM 18858 C CG . LEU K 11 17 ? 24.375 -32.922 -13.131 1.00 50.79 ? 17 LEU L CG 1 +ATOM 18859 C CD1 . LEU K 11 17 ? 23.148 -32.006 -13.059 1.00 40.95 ? 17 LEU L CD1 1 +ATOM 18860 C CD2 . LEU K 11 17 ? 25.485 -32.430 -12.224 1.00 45.05 ? 17 LEU L CD2 1 +ATOM 18861 N N . TYR K 11 18 ? 25.129 -35.629 -15.423 1.00 43.14 ? 18 TYR L N 1 +ATOM 18862 C CA . TYR K 11 18 ? 25.854 -35.479 -16.686 1.00 49.07 ? 18 TYR L CA 1 +ATOM 18863 C C . TYR K 11 18 ? 25.009 -35.990 -17.843 1.00 46.38 ? 18 TYR L C 1 +ATOM 18864 O O . TYR K 11 18 ? 24.904 -35.338 -18.888 1.00 47.86 ? 18 TYR L O 1 +ATOM 18865 C CB . TYR K 11 18 ? 27.196 -36.224 -16.635 1.00 43.12 ? 18 TYR L CB 1 +ATOM 18866 C CG . TYR K 11 18 ? 28.281 -35.618 -15.747 1.00 52.08 ? 18 TYR L CG 1 +ATOM 18867 C CD1 . TYR K 11 18 ? 28.391 -34.243 -15.563 1.00 49.62 ? 18 TYR L CD1 1 +ATOM 18868 C CD2 . TYR K 11 18 ? 29.209 -36.428 -15.116 1.00 50.39 ? 18 TYR L CD2 1 +ATOM 18869 C CE1 . TYR K 11 18 ? 29.400 -33.702 -14.786 1.00 53.73 ? 18 TYR L CE1 1 +ATOM 18870 C CE2 . TYR K 11 18 ? 30.206 -35.902 -14.329 1.00 48.07 ? 18 TYR L CE2 1 +ATOM 18871 C CZ . TYR K 11 18 ? 30.304 -34.538 -14.165 1.00 55.00 ? 18 TYR L CZ 1 +ATOM 18872 O OH . TYR K 11 18 ? 31.298 -34.009 -13.377 1.00 50.25 ? 18 TYR L OH 1 +ATOM 18873 N N A LEU K 11 19 ? 24.365 -37.144 -17.653 0.40 44.70 ? 19 LEU L N 1 +ATOM 18874 N N B LEU K 11 19 ? 24.396 -37.164 -17.669 0.60 44.72 ? 19 LEU L N 1 +ATOM 18875 C CA A LEU K 11 19 ? 23.520 -37.712 -18.693 0.40 46.08 ? 19 LEU L CA 1 +ATOM 18876 C CA B LEU K 11 19 ? 23.539 -37.722 -18.706 0.60 46.15 ? 19 LEU L CA 1 +ATOM 18877 C C A LEU K 11 19 ? 22.343 -36.797 -18.982 0.40 41.93 ? 19 LEU L C 1 +ATOM 18878 C C B LEU K 11 19 ? 22.347 -36.816 -18.983 0.60 41.87 ? 19 LEU L C 1 +ATOM 18879 O O A LEU K 11 19 ? 22.004 -36.563 -20.145 0.40 44.72 ? 19 LEU L O 1 +ATOM 18880 O O B LEU K 11 19 ? 22.005 -36.578 -20.146 0.60 44.72 ? 19 LEU L O 1 +ATOM 18881 C CB A LEU K 11 19 ? 23.039 -39.103 -18.273 0.40 42.17 ? 19 LEU L CB 1 +ATOM 18882 C CB B LEU K 11 19 ? 23.078 -39.126 -18.305 0.60 42.09 ? 19 LEU L CB 1 +ATOM 18883 C CG A LEU K 11 19 ? 24.038 -40.270 -18.318 0.40 47.69 ? 19 LEU L CG 1 +ATOM 18884 C CG B LEU K 11 19 ? 24.140 -40.230 -18.361 0.60 47.66 ? 19 LEU L CG 1 +ATOM 18885 C CD1 A LEU K 11 19 ? 23.541 -41.439 -17.469 0.40 51.62 ? 19 LEU L CD1 1 +ATOM 18886 C CD1 B LEU K 11 19 ? 23.734 -41.392 -17.477 0.60 51.61 ? 19 LEU L CD1 1 +ATOM 18887 C CD2 A LEU K 11 19 ? 24.302 -40.702 -19.750 0.40 47.47 ? 19 LEU L CD2 1 +ATOM 18888 C CD2 B LEU K 11 19 ? 24.365 -40.697 -19.790 0.60 47.43 ? 19 LEU L CD2 1 +ATOM 18889 N N . GLY K 11 20 ? 21.711 -36.287 -17.929 1.00 40.93 ? 20 GLY L N 1 +ATOM 18890 C CA . GLY K 11 20 ? 20.581 -35.410 -18.122 1.00 42.24 ? 20 GLY L CA 1 +ATOM 18891 C C . GLY K 11 20 ? 20.959 -34.129 -18.833 1.00 45.57 ? 20 GLY L C 1 +ATOM 18892 O O . GLY K 11 20 ? 20.261 -33.690 -19.746 1.00 48.52 ? 20 GLY L O 1 +ATOM 18893 N N . LEU K 11 21 ? 22.071 -33.512 -18.428 1.00 45.64 ? 21 LEU L N 1 +ATOM 18894 C CA . LEU K 11 21 ? 22.483 -32.258 -19.059 1.00 42.07 ? 21 LEU L CA 1 +ATOM 18895 C C . LEU K 11 21 ? 22.829 -32.468 -20.522 1.00 44.25 ? 21 LEU L C 1 +ATOM 18896 O O . LEU K 11 21 ? 22.528 -31.612 -21.355 1.00 44.80 ? 21 LEU L O 1 +ATOM 18897 C CB . LEU K 11 21 ? 23.670 -31.644 -18.317 1.00 44.67 ? 21 LEU L CB 1 +ATOM 18898 C CG . LEU K 11 21 ? 23.370 -31.067 -16.921 1.00 49.31 ? 21 LEU L CG 1 +ATOM 18899 C CD1 . LEU K 11 21 ? 24.629 -30.522 -16.221 1.00 44.55 ? 21 LEU L CD1 1 +ATOM 18900 C CD2 . LEU K 11 21 ? 22.293 -29.989 -17.012 1.00 50.30 ? 21 LEU L CD2 1 +ATOM 18901 N N . LEU K 11 22 ? 23.441 -33.614 -20.858 1.00 43.18 ? 22 LEU L N 1 +ATOM 18902 C CA . LEU K 11 22 ? 23.784 -33.896 -22.254 1.00 44.98 ? 22 LEU L CA 1 +ATOM 18903 C C . LEU K 11 22 ? 22.539 -34.093 -23.113 1.00 45.11 ? 22 LEU L C 1 +ATOM 18904 O O . LEU K 11 22 ? 22.493 -33.635 -24.255 1.00 50.36 ? 22 LEU L O 1 +ATOM 18905 C CB . LEU K 11 22 ? 24.666 -35.137 -22.337 1.00 47.36 ? 22 LEU L CB 1 +ATOM 18906 C CG . LEU K 11 22 ? 25.059 -35.597 -23.740 1.00 46.54 ? 22 LEU L CG 1 +ATOM 18907 C CD1 . LEU K 11 22 ? 26.080 -34.648 -24.311 1.00 54.53 ? 22 LEU L CD1 1 +ATOM 18908 C CD2 . LEU K 11 22 ? 25.595 -37.008 -23.703 1.00 52.51 ? 22 LEU L CD2 1 +ATOM 18909 N N . LEU K 11 23 ? 21.533 -34.787 -22.588 1.00 44.20 ? 23 LEU L N 1 +ATOM 18910 C CA . LEU K 11 23 ? 20.259 -34.928 -23.280 1.00 44.04 ? 23 LEU L CA 1 +ATOM 18911 C C . LEU K 11 23 ? 19.644 -33.561 -23.571 1.00 50.71 ? 23 LEU L C 1 +ATOM 18912 O O . LEU K 11 23 ? 19.252 -33.272 -24.713 1.00 44.02 ? 23 LEU L O 1 +ATOM 18913 C CB . LEU K 11 23 ? 19.301 -35.780 -22.429 1.00 46.01 ? 23 LEU L CB 1 +ATOM 18914 C CG . LEU K 11 23 ? 17.857 -35.873 -22.915 1.00 49.53 ? 23 LEU L CG 1 +ATOM 18915 C CD1 . LEU K 11 23 ? 17.826 -36.699 -24.184 1.00 43.66 ? 23 LEU L CD1 1 +ATOM 18916 C CD2 . LEU K 11 23 ? 16.902 -36.438 -21.872 1.00 50.32 ? 23 LEU L CD2 1 +ATOM 18917 N N . ILE K 11 24 ? 19.572 -32.691 -22.547 1.00 42.70 ? 24 ILE L N 1 +ATOM 18918 C CA . ILE K 11 24 ? 18.921 -31.394 -22.726 1.00 46.94 ? 24 ILE L CA 1 +ATOM 18919 C C . ILE K 11 24 ? 19.697 -30.510 -23.704 1.00 45.96 ? 24 ILE L C 1 +ATOM 18920 O O . ILE K 11 24 ? 19.106 -29.878 -24.591 1.00 46.37 ? 24 ILE L O 1 +ATOM 18921 C CB . ILE K 11 24 ? 18.731 -30.715 -21.358 1.00 51.03 ? 24 ILE L CB 1 +ATOM 18922 C CG1 . ILE K 11 24 ? 17.727 -31.531 -20.536 1.00 46.44 ? 24 ILE L CG1 1 +ATOM 18923 C CG2 . ILE K 11 24 ? 18.296 -29.211 -21.524 1.00 39.19 ? 24 ILE L CG2 1 +ATOM 18924 C CD1 . ILE K 11 24 ? 17.909 -31.353 -19.068 1.00 67.41 ? 24 ILE L CD1 1 +ATOM 18925 N N . LEU K 11 25 ? 21.025 -30.466 -23.578 1.00 42.97 ? 25 LEU L N 1 +ATOM 18926 C CA . LEU K 11 25 ? 21.811 -29.648 -24.496 1.00 41.54 ? 25 LEU L CA 1 +ATOM 18927 C C . LEU K 11 25 ? 21.701 -30.165 -25.924 1.00 45.64 ? 25 LEU L C 1 +ATOM 18928 O O . LEU K 11 25 ? 21.530 -29.382 -26.868 1.00 46.64 ? 25 LEU L O 1 +ATOM 18929 C CB . LEU K 11 25 ? 23.269 -29.593 -24.051 1.00 41.39 ? 25 LEU L CB 1 +ATOM 18930 C CG . LEU K 11 25 ? 23.441 -28.802 -22.737 1.00 47.18 ? 25 LEU L CG 1 +ATOM 18931 C CD1 . LEU K 11 25 ? 24.841 -28.925 -22.174 1.00 45.71 ? 25 LEU L CD1 1 +ATOM 18932 C CD2 . LEU K 11 25 ? 23.066 -27.323 -22.927 1.00 46.81 ? 25 LEU L CD2 1 +ATOM 18933 N N . VAL K 11 26 ? 21.762 -31.483 -26.102 1.00 45.45 ? 26 VAL L N 1 +ATOM 18934 C CA . VAL K 11 26 ? 21.664 -32.028 -27.446 1.00 51.83 ? 26 VAL L CA 1 +ATOM 18935 C C . VAL K 11 26 ? 20.268 -31.812 -28.016 1.00 42.05 ? 26 VAL L C 1 +ATOM 18936 O O . VAL K 11 26 ? 20.113 -31.495 -29.202 1.00 42.84 ? 26 VAL L O 1 +ATOM 18937 C CB . VAL K 11 26 ? 22.068 -33.514 -27.444 1.00 52.52 ? 26 VAL L CB 1 +ATOM 18938 C CG1 . VAL K 11 26 ? 21.682 -34.161 -28.746 1.00 48.32 ? 26 VAL L CG1 1 +ATOM 18939 C CG2 . VAL K 11 26 ? 23.572 -33.607 -27.245 1.00 51.38 ? 26 VAL L CG2 1 +ATOM 18940 N N . LEU K 11 27 ? 19.234 -31.988 -27.192 1.00 42.68 ? 27 LEU L N 1 +ATOM 18941 C CA . LEU K 11 27 ? 17.886 -31.697 -27.662 1.00 42.88 ? 27 LEU L CA 1 +ATOM 18942 C C . LEU K 11 27 ? 17.749 -30.224 -28.051 1.00 42.12 ? 27 LEU L C 1 +ATOM 18943 O O . LEU K 11 27 ? 17.098 -29.897 -29.048 1.00 42.46 ? 27 LEU L O 1 +ATOM 18944 C CB . LEU K 11 27 ? 16.860 -32.069 -26.589 1.00 40.29 ? 27 LEU L CB 1 +ATOM 18945 C CG . LEU K 11 27 ? 16.476 -33.545 -26.467 1.00 44.39 ? 27 LEU L CG 1 +ATOM 18946 C CD1 . LEU K 11 27 ? 15.440 -33.703 -25.381 1.00 48.45 ? 27 LEU L CD1 1 +ATOM 18947 C CD2 . LEU K 11 27 ? 15.943 -34.076 -27.782 1.00 41.91 ? 27 LEU L CD2 1 +ATOM 18948 N N . ALA K 11 28 ? 18.341 -29.325 -27.257 1.00 43.20 ? 28 ALA L N 1 +ATOM 18949 C CA . ALA K 11 28 ? 18.317 -27.904 -27.585 1.00 43.86 ? 28 ALA L CA 1 +ATOM 18950 C C . ALA K 11 28 ? 19.074 -27.638 -28.876 1.00 42.79 ? 28 ALA L C 1 +ATOM 18951 O O . ALA K 11 28 ? 18.610 -26.878 -29.730 1.00 45.03 ? 28 ALA L O 1 +ATOM 18952 C CB . ALA K 11 28 ? 18.916 -27.083 -26.444 1.00 41.34 ? 28 ALA L CB 1 +ATOM 18953 N N . LEU K 11 29 ? 20.232 -28.276 -29.046 1.00 43.57 ? 29 LEU L N 1 +ATOM 18954 C CA . LEU K 11 29 ? 20.985 -28.091 -30.280 1.00 47.12 ? 29 LEU L CA 1 +ATOM 18955 C C . LEU K 11 29 ? 20.212 -28.603 -31.488 1.00 50.77 ? 29 LEU L C 1 +ATOM 18956 O O . LEU K 11 29 ? 20.417 -28.117 -32.603 1.00 52.99 ? 29 LEU L O 1 +ATOM 18957 C CB . LEU K 11 29 ? 22.334 -28.797 -30.174 1.00 45.96 ? 29 LEU L CB 1 +ATOM 18958 C CG . LEU K 11 29 ? 23.382 -28.364 -31.197 1.00 46.35 ? 29 LEU L CG 1 +ATOM 18959 C CD1 . LEU K 11 29 ? 23.661 -26.867 -31.076 1.00 45.42 ? 29 LEU L CD1 1 +ATOM 18960 C CD2 . LEU K 11 29 ? 24.652 -29.164 -31.018 1.00 58.03 ? 29 LEU L CD2 1 +ATOM 18961 N N . LEU K 11 30 ? 19.332 -29.587 -31.296 1.00 45.63 ? 30 LEU L N 1 +ATOM 18962 C CA . LEU K 11 30 ? 18.581 -30.155 -32.414 1.00 40.13 ? 30 LEU L CA 1 +ATOM 18963 C C . LEU K 11 30 ? 17.377 -29.287 -32.769 1.00 47.13 ? 30 LEU L C 1 +ATOM 18964 O O . LEU K 11 30 ? 17.175 -28.935 -33.939 1.00 41.78 ? 30 LEU L O 1 +ATOM 18965 C CB . LEU K 11 30 ? 18.129 -31.572 -32.056 1.00 45.82 ? 30 LEU L CB 1 +ATOM 18966 C CG . LEU K 11 30 ? 17.169 -32.265 -33.036 1.00 48.23 ? 30 LEU L CG 1 +ATOM 18967 C CD1 . LEU K 11 30 ? 17.803 -32.421 -34.429 1.00 40.04 ? 30 LEU L CD1 1 +ATOM 18968 C CD2 . LEU K 11 30 ? 16.680 -33.599 -32.476 1.00 40.20 ? 30 LEU L CD2 1 +ATOM 18969 N N . PHE K 11 31 ? 16.609 -28.872 -31.755 1.00 41.86 ? 31 PHE L N 1 +ATOM 18970 C CA . PHE K 11 31 ? 15.354 -28.171 -31.986 1.00 42.31 ? 31 PHE L CA 1 +ATOM 18971 C C . PHE K 11 31 ? 15.508 -26.668 -32.187 1.00 48.06 ? 31 PHE L C 1 +ATOM 18972 O O . PHE K 11 31 ? 14.609 -26.044 -32.783 1.00 43.33 ? 31 PHE L O 1 +ATOM 18973 C CB . PHE K 11 31 ? 14.385 -28.467 -30.828 1.00 44.91 ? 31 PHE L CB 1 +ATOM 18974 C CG . PHE K 11 31 ? 13.617 -29.731 -31.024 1.00 46.72 ? 31 PHE L CG 1 +ATOM 18975 C CD1 . PHE K 11 31 ? 12.516 -29.755 -31.863 1.00 46.85 ? 31 PHE L CD1 1 +ATOM 18976 C CD2 . PHE K 11 31 ? 14.023 -30.908 -30.432 1.00 45.32 ? 31 PHE L CD2 1 +ATOM 18977 C CE1 . PHE K 11 31 ? 11.802 -30.923 -32.069 1.00 46.24 ? 31 PHE L CE1 1 +ATOM 18978 C CE2 . PHE K 11 31 ? 13.327 -32.091 -30.650 1.00 54.03 ? 31 PHE L CE2 1 +ATOM 18979 C CZ . PHE K 11 31 ? 12.214 -32.101 -31.457 1.00 44.77 ? 31 PHE L CZ 1 +ATOM 18980 N N . SER K 11 32 ? 16.632 -26.075 -31.759 1.00 38.97 ? 32 SER L N 1 +ATOM 18981 C CA . SER K 11 32 ? 16.773 -24.613 -31.850 1.00 44.64 ? 32 SER L CA 1 +ATOM 18982 C C . SER K 11 32 ? 16.571 -24.092 -33.272 1.00 41.65 ? 32 SER L C 1 +ATOM 18983 O O . SER K 11 32 ? 15.927 -23.048 -33.463 1.00 45.92 ? 32 SER L O 1 +ATOM 18984 C CB . SER K 11 32 ? 18.137 -24.172 -31.328 1.00 43.96 ? 32 SER L CB 1 +ATOM 18985 O OG . SER K 11 32 ? 19.161 -24.806 -32.061 1.00 46.24 ? 32 SER L OG 1 +ATOM 18986 N N . SER K 11 33 ? 17.125 -24.784 -34.280 1.00 39.65 ? 33 SER L N 1 +ATOM 18987 C CA . SER K 11 33 ? 16.967 -24.328 -35.662 1.00 37.64 ? 33 SER L CA 1 +ATOM 18988 C C . SER K 11 33 ? 15.496 -24.226 -36.049 1.00 46.53 ? 33 SER L C 1 +ATOM 18989 O O . SER K 11 33 ? 15.111 -23.361 -36.849 1.00 43.33 ? 33 SER L O 1 +ATOM 18990 C CB . SER K 11 33 ? 17.666 -25.273 -36.647 1.00 35.44 ? 33 SER L CB 1 +ATOM 18991 O OG . SER K 11 33 ? 19.064 -25.341 -36.471 1.00 45.65 ? 33 SER L OG 1 +ATOM 18992 N N . TYR K 11 34 ? 14.672 -25.147 -35.550 1.00 42.04 ? 34 TYR L N 1 +ATOM 18993 C CA . TYR K 11 34 ? 13.266 -25.148 -35.914 1.00 42.00 ? 34 TYR L CA 1 +ATOM 18994 C C . TYR K 11 34 ? 12.511 -24.082 -35.149 1.00 42.89 ? 34 TYR L C 1 +ATOM 18995 O O . TYR K 11 34 ? 11.493 -23.592 -35.639 1.00 42.80 ? 34 TYR L O 1 +ATOM 18996 C CB . TYR K 11 34 ? 12.658 -26.537 -35.678 1.00 37.55 ? 34 TYR L CB 1 +ATOM 18997 C CG . TYR K 11 34 ? 13.375 -27.614 -36.455 1.00 41.08 ? 34 TYR L CG 1 +ATOM 18998 C CD1 . TYR K 11 34 ? 12.951 -27.973 -37.734 1.00 35.03 ? 34 TYR L CD1 1 +ATOM 18999 C CD2 . TYR K 11 34 ? 14.507 -28.254 -35.922 1.00 35.60 ? 34 TYR L CD2 1 +ATOM 19000 C CE1 . TYR K 11 34 ? 13.638 -28.970 -38.470 1.00 45.42 ? 34 TYR L CE1 1 +ATOM 19001 C CE2 . TYR K 11 34 ? 15.185 -29.235 -36.633 1.00 37.76 ? 34 TYR L CE2 1 +ATOM 19002 C CZ . TYR K 11 34 ? 14.747 -29.582 -37.903 1.00 40.07 ? 34 TYR L CZ 1 +ATOM 19003 O OH . TYR K 11 34 ? 15.428 -30.521 -38.602 1.00 47.33 ? 34 TYR L OH 1 +ATOM 19004 N N . PHE K 11 35 ? 12.995 -23.726 -33.954 1.00 43.28 ? 35 PHE L N 1 +ATOM 19005 C CA . PHE K 11 35 ? 12.404 -22.635 -33.188 1.00 48.79 ? 35 PHE L CA 1 +ATOM 19006 C C . PHE K 11 35 ? 12.666 -21.300 -33.868 1.00 45.01 ? 35 PHE L C 1 +ATOM 19007 O O . PHE K 11 35 ? 11.784 -20.437 -33.918 1.00 46.91 ? 35 PHE L O 1 +ATOM 19008 C CB . PHE K 11 35 ? 12.961 -22.611 -31.745 1.00 46.50 ? 35 PHE L CB 1 +ATOM 19009 C CG . PHE K 11 35 ? 12.608 -23.821 -30.907 1.00 44.69 ? 35 PHE L CG 1 +ATOM 19010 C CD1 . PHE K 11 35 ? 11.667 -24.756 -31.335 1.00 47.64 ? 35 PHE L CD1 1 +ATOM 19011 C CD2 . PHE K 11 35 ? 13.199 -24.002 -29.662 1.00 44.90 ? 35 PHE L CD2 1 +ATOM 19012 C CE1 . PHE K 11 35 ? 11.333 -25.865 -30.531 1.00 51.08 ? 35 PHE L CE1 1 +ATOM 19013 C CE2 . PHE K 11 35 ? 12.870 -25.101 -28.850 1.00 43.41 ? 35 PHE L CE2 1 +ATOM 19014 C CZ . PHE K 11 35 ? 11.939 -26.031 -29.289 1.00 51.23 ? 35 PHE L CZ 1 +ATOM 19015 N N . PHE K 11 36 ? 13.884 -21.108 -34.387 1.00 50.62 ? 36 PHE L N 1 +ATOM 19016 C CA . PHE K 11 36 ? 14.189 -19.890 -35.131 1.00 45.52 ? 36 PHE L CA 1 +ATOM 19017 C C . PHE K 11 36 ? 13.554 -19.930 -36.513 1.00 50.72 ? 36 PHE L C 1 +ATOM 19018 O O . PHE K 11 36 ? 13.137 -18.887 -37.035 1.00 45.03 ? 36 PHE L O 1 +ATOM 19019 C CB . PHE K 11 36 ? 15.702 -19.691 -35.250 1.00 44.67 ? 36 PHE L CB 1 +ATOM 19020 C CG . PHE K 11 36 ? 16.364 -19.209 -33.981 1.00 48.75 ? 36 PHE L CG 1 +ATOM 19021 C CD1 . PHE K 11 36 ? 16.082 -17.947 -33.464 1.00 42.33 ? 36 PHE L CD1 1 +ATOM 19022 C CD2 . PHE K 11 36 ? 17.312 -19.995 -33.332 1.00 44.53 ? 36 PHE L CD2 1 +ATOM 19023 C CE1 . PHE K 11 36 ? 16.710 -17.484 -32.295 1.00 44.03 ? 36 PHE L CE1 1 +ATOM 19024 C CE2 . PHE K 11 36 ? 17.952 -19.533 -32.173 1.00 48.48 ? 36 PHE L CE2 1 +ATOM 19025 C CZ . PHE K 11 36 ? 17.639 -18.289 -31.652 1.00 44.22 ? 36 PHE L CZ 1 +ATOM 19026 N N . ASN K 11 37 ? 13.487 -21.121 -37.123 1.00 44.58 ? 37 ASN L N 1 +ATOM 19027 C CA . ASN K 11 37 ? 12.843 -21.308 -38.428 1.00 39.61 ? 37 ASN L CA 1 +ATOM 19028 C C . ASN K 11 37 ? 13.402 -20.340 -39.506 1.00 46.67 ? 37 ASN L C 1 +ATOM 19029 O O . ASN K 11 37 ? 12.693 -19.641 -40.246 1.00 42.81 ? 37 ASN L O 1 +ATOM 19030 C CB . ASN K 11 37 ? 11.334 -21.139 -38.258 1.00 44.09 ? 37 ASN L CB 1 +ATOM 19031 C CG . ASN K 11 37 ? 10.547 -21.774 -39.377 1.00 45.02 ? 37 ASN L CG 1 +ATOM 19032 O OD1 . ASN K 11 37 ? 11.123 -22.349 -40.290 1.00 46.11 ? 37 ASN L OD1 1 +ATOM 19033 N ND2 . ASN K 11 37 ? 9.228 -21.661 -39.322 1.00 49.11 ? 37 ASN L ND2 1 +ATOM 19034 O OXT . ASN K 11 37 ? 14.612 -20.214 -39.684 1.00 43.72 ? 37 ASN L OXT 1 +HETATM 19035 N N . FME L 12 1 ? 19.045 -12.575 -41.266 1.00 78.84 ? 1 FME M N 1 +HETATM 19036 C CN . FME L 12 1 ? 19.392 -11.574 -42.080 1.00 89.79 ? 1 FME M CN 1 +HETATM 19037 O O1 . FME L 12 1 ? 19.096 -11.596 -43.271 1.00 108.16 ? 1 FME M O1 1 +HETATM 19038 C CA . FME L 12 1 ? 17.987 -13.506 -41.617 1.00 59.80 ? 1 FME M CA 1 +HETATM 19039 C CB . FME L 12 1 ? 18.475 -14.936 -41.432 1.00 65.51 ? 1 FME M CB 1 +HETATM 19040 C CG . FME L 12 1 ? 19.853 -15.196 -42.051 1.00 68.44 ? 1 FME M CG 1 +HETATM 19041 S SD . FME L 12 1 ? 19.772 -15.480 -43.780 1.00 60.80 ? 1 FME M SD 1 +HETATM 19042 C CE . FME L 12 1 ? 19.129 -17.117 -43.913 1.00 52.22 ? 1 FME M CE 1 +HETATM 19043 C C . FME L 12 1 ? 16.746 -13.270 -40.799 1.00 54.09 ? 1 FME M C 1 +HETATM 19044 O O . FME L 12 1 ? 16.853 -12.967 -39.598 1.00 60.67 ? 1 FME M O 1 +ATOM 19045 N N . GLU L 12 2 ? 15.573 -13.416 -41.399 1.00 53.32 ? 2 GLU M N 1 +ATOM 19046 C CA . GLU L 12 2 ? 14.322 -13.172 -40.689 1.00 48.13 ? 2 GLU M CA 1 +ATOM 19047 C C . GLU L 12 2 ? 13.856 -14.407 -39.925 1.00 58.97 ? 2 GLU M C 1 +ATOM 19048 O O . GLU L 12 2 ? 12.924 -15.124 -40.339 1.00 55.00 ? 2 GLU M O 1 +ATOM 19049 C CB . GLU L 12 2 ? 13.268 -12.711 -41.671 1.00 49.55 ? 2 GLU M CB 1 +ATOM 19050 C CG . GLU L 12 2 ? 13.775 -11.481 -42.421 1.00 88.02 ? 2 GLU M CG 1 +ATOM 19051 C CD . GLU L 12 2 ? 12.679 -10.684 -43.087 1.00 113.63 ? 2 GLU M CD 1 +ATOM 19052 O OE1 . GLU L 12 2 ? 11.542 -10.718 -42.557 1.00 104.35 ? 2 GLU M OE1 1 +ATOM 19053 O OE2 . GLU L 12 2 ? 12.958 -10.026 -44.132 1.00 124.19 ? 2 GLU M OE2 1 +ATOM 19054 N N . VAL L 12 3 ? 14.549 -14.671 -38.818 1.00 50.82 ? 3 VAL M N 1 +ATOM 19055 C CA . VAL L 12 3 ? 14.192 -15.780 -37.962 1.00 44.87 ? 3 VAL M CA 1 +ATOM 19056 C C . VAL L 12 3 ? 13.043 -15.361 -37.053 1.00 53.02 ? 3 VAL M C 1 +ATOM 19057 O O . VAL L 12 3 ? 12.766 -14.186 -36.865 1.00 48.28 ? 3 VAL M O 1 +ATOM 19058 C CB . VAL L 12 3 ? 15.409 -16.263 -37.154 1.00 50.74 ? 3 VAL M CB 1 +ATOM 19059 C CG1 . VAL L 12 3 ? 16.495 -16.736 -38.084 1.00 55.41 ? 3 VAL M CG1 1 +ATOM 19060 C CG2 . VAL L 12 3 ? 15.943 -15.151 -36.218 1.00 42.42 ? 3 VAL M CG2 1 +ATOM 19061 N N . ASN L 12 4 ? 12.345 -16.347 -36.508 1.00 50.24 ? 4 ASN M N 1 +ATOM 19062 C CA . ASN L 12 4 ? 11.310 -16.064 -35.528 1.00 46.31 ? 4 ASN M CA 1 +ATOM 19063 C C . ASN L 12 4 ? 11.994 -15.617 -34.236 1.00 49.82 ? 4 ASN M C 1 +ATOM 19064 O O . ASN L 12 4 ? 12.853 -16.327 -33.705 1.00 54.45 ? 4 ASN M O 1 +ATOM 19065 C CB . ASN L 12 4 ? 10.448 -17.314 -35.332 1.00 48.20 ? 4 ASN M CB 1 +ATOM 19066 C CG . ASN L 12 4 ? 9.512 -17.214 -34.142 1.00 63.85 ? 4 ASN M CG 1 +ATOM 19067 O OD1 . ASN L 12 4 ? 9.263 -16.136 -33.613 1.00 64.32 ? 4 ASN M OD1 1 +ATOM 19068 N ND2 . ASN L 12 4 ? 8.996 -18.354 -33.706 1.00 80.16 ? 4 ASN M ND2 1 +ATOM 19069 N N . GLN L 12 5 ? 11.660 -14.425 -33.742 1.00 49.04 ? 5 GLN M N 1 +ATOM 19070 C CA . GLN L 12 5 ? 12.461 -13.888 -32.643 1.00 67.35 ? 5 GLN M CA 1 +ATOM 19071 C C . GLN L 12 5 ? 12.139 -14.559 -31.311 1.00 58.71 ? 5 GLN M C 1 +ATOM 19072 O O . GLN L 12 5 ? 12.993 -14.580 -30.416 1.00 59.85 ? 5 GLN M O 1 +ATOM 19073 C CB . GLN L 12 5 ? 12.303 -12.374 -32.545 1.00 66.92 ? 5 GLN M CB 1 +ATOM 19074 C CG . GLN L 12 5 ? 13.223 -11.642 -33.524 1.00 86.33 ? 5 GLN M CG 1 +ATOM 19075 C CD . GLN L 12 5 ? 13.576 -10.238 -33.069 1.00 112.27 ? 5 GLN M CD 1 +ATOM 19076 O OE1 . GLN L 12 5 ? 14.252 -10.047 -32.051 1.00 113.46 ? 5 GLN M OE1 1 +ATOM 19077 N NE2 . GLN L 12 5 ? 13.119 -9.244 -33.821 1.00 134.88 ? 5 GLN M NE2 1 +ATOM 19078 N N . LEU L 12 6 ? 10.935 -15.126 -31.167 1.00 49.29 ? 6 LEU M N 1 +ATOM 19079 C CA . LEU L 12 6 ? 10.640 -15.969 -30.013 1.00 52.64 ? 6 LEU M CA 1 +ATOM 19080 C C . LEU L 12 6 ? 11.535 -17.197 -29.944 1.00 46.27 ? 6 LEU M C 1 +ATOM 19081 O O . LEU L 12 6 ? 11.580 -17.832 -28.890 1.00 49.13 ? 6 LEU M O 1 +ATOM 19082 C CB . LEU L 12 6 ? 9.178 -16.422 -30.009 1.00 52.65 ? 6 LEU M CB 1 +ATOM 19083 C CG . LEU L 12 6 ? 8.140 -15.348 -29.669 1.00 65.65 ? 6 LEU M CG 1 +ATOM 19084 C CD1 . LEU L 12 6 ? 6.736 -15.928 -29.641 1.00 61.19 ? 6 LEU M CD1 1 +ATOM 19085 C CD2 . LEU L 12 6 ? 8.475 -14.700 -28.348 1.00 53.36 ? 6 LEU M CD2 1 +ATOM 19086 N N . GLY L 12 7 ? 12.258 -17.530 -31.018 1.00 43.22 ? 7 GLY M N 1 +ATOM 19087 C CA . GLY L 12 7 ? 13.154 -18.675 -30.971 1.00 43.95 ? 7 GLY M CA 1 +ATOM 19088 C C . GLY L 12 7 ? 14.217 -18.545 -29.904 1.00 47.37 ? 7 GLY M C 1 +ATOM 19089 O O . GLY L 12 7 ? 14.623 -19.541 -29.297 1.00 49.76 ? 7 GLY M O 1 +ATOM 19090 N N . LEU L 12 8 ? 14.643 -17.316 -29.621 1.00 41.30 ? 8 LEU M N 1 +ATOM 19091 C CA . LEU L 12 8 ? 15.685 -17.095 -28.627 1.00 42.64 ? 8 LEU M CA 1 +ATOM 19092 C C . LEU L 12 8 ? 15.208 -17.493 -27.234 1.00 45.37 ? 8 LEU M C 1 +ATOM 19093 O O . LEU L 12 8 ? 15.807 -18.362 -26.581 1.00 48.00 ? 8 LEU M O 1 +ATOM 19094 C CB . LEU L 12 8 ? 16.132 -15.625 -28.673 1.00 44.53 ? 8 LEU M CB 1 +ATOM 19095 C CG . LEU L 12 8 ? 17.276 -15.287 -27.711 1.00 53.69 ? 8 LEU M CG 1 +ATOM 19096 C CD1 . LEU L 12 8 ? 18.498 -16.173 -28.012 1.00 52.77 ? 8 LEU M CD1 1 +ATOM 19097 C CD2 . LEU L 12 8 ? 17.654 -13.801 -27.808 1.00 44.59 ? 8 LEU M CD2 1 +ATOM 19098 N N . ILE L 12 9 ? 14.123 -16.870 -26.748 1.00 46.41 ? 9 ILE M N 1 +ATOM 19099 C CA . ILE L 12 9 ? 13.682 -17.203 -25.388 1.00 44.21 ? 9 ILE M CA 1 +ATOM 19100 C C . ILE L 12 9 ? 13.184 -18.643 -25.312 1.00 45.52 ? 9 ILE M C 1 +ATOM 19101 O O . ILE L 12 9 ? 13.335 -19.298 -24.273 1.00 44.18 ? 9 ILE M O 1 +ATOM 19102 C CB . ILE L 12 9 ? 12.610 -16.227 -24.872 1.00 49.30 ? 9 ILE M CB 1 +ATOM 19103 C CG1 . ILE L 12 9 ? 12.415 -16.466 -23.360 1.00 50.69 ? 9 ILE M CG1 1 +ATOM 19104 C CG2 . ILE L 12 9 ? 11.295 -16.372 -25.650 1.00 42.51 ? 9 ILE M CG2 1 +ATOM 19105 C CD1 . ILE L 12 9 ? 11.460 -15.561 -22.715 1.00 47.43 ? 9 ILE M CD1 1 +ATOM 19106 N N . ALA L 12 10 ? 12.586 -19.159 -26.401 1.00 44.63 ? 10 ALA M N 1 +ATOM 19107 C CA . ALA L 12 10 ? 12.189 -20.563 -26.435 1.00 48.19 ? 10 ALA M CA 1 +ATOM 19108 C C . ALA L 12 10 ? 13.391 -21.478 -26.231 1.00 47.62 ? 10 ALA M C 1 +ATOM 19109 O O . ALA L 12 10 ? 13.332 -22.423 -25.439 1.00 49.09 ? 10 ALA M O 1 +ATOM 19110 C CB . ALA L 12 10 ? 11.486 -20.893 -27.753 1.00 39.79 ? 10 ALA M CB 1 +ATOM 19111 N N . THR L 12 11 ? 14.483 -21.231 -26.956 1.00 43.06 ? 11 THR M N 1 +ATOM 19112 C CA . THR L 12 11 ? 15.667 -22.063 -26.772 1.00 44.15 ? 11 THR M CA 1 +ATOM 19113 C C . THR L 12 11 ? 16.252 -21.886 -25.369 1.00 52.61 ? 11 THR M C 1 +ATOM 19114 O O . THR L 12 11 ? 16.682 -22.861 -24.739 1.00 48.69 ? 11 THR M O 1 +ATOM 19115 C CB . THR L 12 11 ? 16.705 -21.732 -27.853 1.00 47.99 ? 11 THR M CB 1 +ATOM 19116 O OG1 . THR L 12 11 ? 16.120 -21.937 -29.146 1.00 48.92 ? 11 THR M OG1 1 +ATOM 19117 C CG2 . THR L 12 11 ? 17.927 -22.621 -27.743 1.00 40.57 ? 11 THR M CG2 1 +ATOM 19118 N N . ALA L 12 12 ? 16.255 -20.652 -24.850 1.00 46.59 ? 12 ALA M N 1 +ATOM 19119 C CA . ALA L 12 12 ? 16.903 -20.401 -23.569 1.00 42.75 ? 12 ALA M CA 1 +ATOM 19120 C C . ALA L 12 12 ? 16.144 -21.059 -22.425 1.00 48.02 ? 12 ALA M C 1 +ATOM 19121 O O . ALA L 12 12 ? 16.758 -21.664 -21.541 1.00 45.73 ? 12 ALA M O 1 +ATOM 19122 C CB . ALA L 12 12 ? 17.055 -18.895 -23.327 1.00 43.04 ? 12 ALA M CB 1 +ATOM 19123 N N . LEU L 12 13 ? 14.812 -20.956 -22.411 1.00 45.87 ? 13 LEU M N 1 +ATOM 19124 C CA . LEU L 12 13 ? 14.058 -21.647 -21.361 1.00 46.85 ? 13 LEU M CA 1 +ATOM 19125 C C . LEU L 12 13 ? 14.121 -23.169 -21.532 1.00 49.24 ? 13 LEU M C 1 +ATOM 19126 O O . LEU L 12 13 ? 14.123 -23.906 -20.539 1.00 51.03 ? 13 LEU M O 1 +ATOM 19127 C CB . LEU L 12 13 ? 12.609 -21.171 -21.355 1.00 42.88 ? 13 LEU M CB 1 +ATOM 19128 C CG . LEU L 12 13 ? 12.490 -19.681 -21.021 1.00 51.57 ? 13 LEU M CG 1 +ATOM 19129 C CD1 . LEU L 12 13 ? 11.057 -19.242 -20.972 1.00 55.20 ? 13 LEU M CD1 1 +ATOM 19130 C CD2 . LEU L 12 13 ? 13.165 -19.405 -19.717 1.00 50.38 ? 13 LEU M CD2 1 +ATOM 19131 N N . PHE L 12 14 ? 14.181 -23.645 -22.776 1.00 46.09 ? 14 PHE M N 1 +ATOM 19132 C CA . PHE L 12 14 ? 14.297 -25.072 -23.047 1.00 46.29 ? 14 PHE M CA 1 +ATOM 19133 C C . PHE L 12 14 ? 15.562 -25.660 -22.429 1.00 46.16 ? 14 PHE M C 1 +ATOM 19134 O O . PHE L 12 14 ? 15.537 -26.767 -21.898 1.00 46.11 ? 14 PHE M O 1 +ATOM 19135 C CB . PHE L 12 14 ? 14.275 -25.306 -24.562 1.00 43.20 ? 14 PHE M CB 1 +ATOM 19136 C CG . PHE L 12 14 ? 14.149 -26.763 -24.966 1.00 48.35 ? 14 PHE M CG 1 +ATOM 19137 C CD1 . PHE L 12 14 ? 15.236 -27.620 -24.890 1.00 56.06 ? 14 PHE M CD1 1 +ATOM 19138 C CD2 . PHE L 12 14 ? 12.950 -27.261 -25.444 1.00 64.56 ? 14 PHE M CD2 1 +ATOM 19139 C CE1 . PHE L 12 14 ? 15.122 -28.951 -25.270 1.00 74.49 ? 14 PHE M CE1 1 +ATOM 19140 C CE2 . PHE L 12 14 ? 12.831 -28.585 -25.838 1.00 70.62 ? 14 PHE M CE2 1 +ATOM 19141 C CZ . PHE L 12 14 ? 13.918 -29.430 -25.755 1.00 68.89 ? 14 PHE M CZ 1 +ATOM 19142 N N . VAL L 12 15 ? 16.684 -24.948 -22.521 1.00 49.03 ? 15 VAL M N 1 +ATOM 19143 C CA . VAL L 12 15 ? 17.906 -25.374 -21.848 1.00 46.53 ? 15 VAL M CA 1 +ATOM 19144 C C . VAL L 12 15 ? 17.786 -25.177 -20.344 1.00 56.47 ? 15 VAL M C 1 +ATOM 19145 O O . VAL L 12 15 ? 18.072 -26.089 -19.548 1.00 50.44 ? 15 VAL M O 1 +ATOM 19146 C CB . VAL L 12 15 ? 19.111 -24.578 -22.380 1.00 61.25 ? 15 VAL M CB 1 +ATOM 19147 C CG1 . VAL L 12 15 ? 20.371 -24.889 -21.526 1.00 49.71 ? 15 VAL M CG1 1 +ATOM 19148 C CG2 . VAL L 12 15 ? 19.337 -24.844 -23.857 1.00 41.88 ? 15 VAL M CG2 1 +ATOM 19149 N N A LEU L 12 16 ? 17.342 -23.989 -19.928 0.50 48.62 ? 16 LEU M N 1 +ATOM 19150 N N B LEU L 12 16 ? 17.350 -23.980 -19.941 0.50 48.64 ? 16 LEU M N 1 +ATOM 19151 C CA A LEU L 12 16 ? 17.542 -23.569 -18.545 0.50 50.08 ? 16 LEU M CA 1 +ATOM 19152 C CA B LEU L 12 16 ? 17.498 -23.518 -18.564 0.50 50.18 ? 16 LEU M CA 1 +ATOM 19153 C C A LEU L 12 16 ? 16.622 -24.293 -17.572 0.50 49.08 ? 16 LEU M C 1 +ATOM 19154 C C B LEU L 12 16 ? 16.631 -24.306 -17.598 0.50 49.05 ? 16 LEU M C 1 +ATOM 19155 O O A LEU L 12 16 ? 17.064 -24.723 -16.501 0.50 48.01 ? 16 LEU M O 1 +ATOM 19156 O O B LEU L 12 16 ? 17.117 -24.785 -16.567 0.50 48.20 ? 16 LEU M O 1 +ATOM 19157 C CB A LEU L 12 16 ? 17.358 -22.059 -18.424 0.50 45.12 ? 16 LEU M CB 1 +ATOM 19158 C CB B LEU L 12 16 ? 17.139 -22.035 -18.482 0.50 44.72 ? 16 LEU M CB 1 +ATOM 19159 C CG A LEU L 12 16 ? 18.659 -21.336 -18.089 0.50 72.56 ? 16 LEU M CG 1 +ATOM 19160 C CG B LEU L 12 16 ? 18.231 -21.030 -18.142 0.50 71.19 ? 16 LEU M CG 1 +ATOM 19161 C CD1 A LEU L 12 16 ? 19.002 -21.526 -16.613 0.50 58.28 ? 16 LEU M CD1 1 +ATOM 19162 C CD1 B LEU L 12 16 ? 18.316 -20.878 -16.625 0.50 61.04 ? 16 LEU M CD1 1 +ATOM 19163 C CD2 A LEU L 12 16 ? 19.809 -21.831 -18.980 0.50 59.27 ? 16 LEU M CD2 1 +ATOM 19164 C CD2 B LEU L 12 16 ? 19.573 -21.467 -18.745 0.50 65.10 ? 16 LEU M CD2 1 +ATOM 19165 N N . VAL L 12 17 ? 15.327 -24.381 -17.882 1.00 43.87 ? 17 VAL M N 1 +ATOM 19166 C CA . VAL L 12 17 ? 14.394 -24.929 -16.892 1.00 47.87 ? 17 VAL M CA 1 +ATOM 19167 C C . VAL L 12 17 ? 14.703 -26.378 -16.558 1.00 42.90 ? 17 VAL M C 1 +ATOM 19168 O O . VAL L 12 17 ? 14.937 -26.673 -15.375 1.00 51.73 ? 17 VAL M O 1 +ATOM 19169 C CB . VAL L 12 17 ? 12.929 -24.714 -17.370 1.00 54.56 ? 17 VAL M CB 1 +ATOM 19170 C CG1 . VAL L 12 17 ? 11.940 -25.563 -16.520 1.00 51.69 ? 17 VAL M CG1 1 +ATOM 19171 C CG2 . VAL L 12 17 ? 12.593 -23.224 -17.323 1.00 49.39 ? 17 VAL M CG2 1 +ATOM 19172 N N . PRO L 12 18 ? 14.812 -27.303 -17.512 1.00 50.57 ? 18 PRO M N 1 +ATOM 19173 C CA . PRO L 12 18 ? 15.172 -28.674 -17.123 1.00 52.45 ? 18 PRO M CA 1 +ATOM 19174 C C . PRO L 12 18 ? 16.582 -28.798 -16.584 1.00 47.43 ? 18 PRO M C 1 +ATOM 19175 O O . PRO L 12 18 ? 16.797 -29.635 -15.701 1.00 46.44 ? 18 PRO M O 1 +ATOM 19176 C CB . PRO L 12 18 ? 14.978 -29.482 -18.417 1.00 49.61 ? 18 PRO M CB 1 +ATOM 19177 C CG . PRO L 12 18 ? 15.089 -28.543 -19.481 1.00 55.53 ? 18 PRO M CG 1 +ATOM 19178 C CD . PRO L 12 18 ? 14.620 -27.195 -18.976 1.00 45.70 ? 18 PRO M CD 1 +ATOM 19179 N N . SER L 12 19 ? 17.541 -27.998 -17.064 1.00 41.17 ? 19 SER M N 1 +ATOM 19180 C CA . SER L 12 19 ? 18.897 -28.109 -16.529 1.00 43.06 ? 19 SER M CA 1 +ATOM 19181 C C . SER L 12 19 ? 18.937 -27.713 -15.064 1.00 50.51 ? 19 SER M C 1 +ATOM 19182 O O . SER L 12 19 ? 19.622 -28.349 -14.252 1.00 50.24 ? 19 SER M O 1 +ATOM 19183 C CB . SER L 12 19 ? 19.857 -27.225 -17.320 1.00 46.66 ? 19 SER M CB 1 +ATOM 19184 O OG . SER L 12 19 ? 19.991 -27.690 -18.646 1.00 52.00 ? 19 SER M OG 1 +ATOM 19185 N N . VAL L 12 20 ? 18.219 -26.650 -14.721 1.00 46.36 ? 20 VAL M N 1 +ATOM 19186 C CA . VAL L 12 20 ? 18.162 -26.161 -13.351 1.00 49.71 ? 20 VAL M CA 1 +ATOM 19187 C C . VAL L 12 20 ? 17.498 -27.190 -12.449 1.00 48.90 ? 20 VAL M C 1 +ATOM 19188 O O . VAL L 12 20 ? 17.923 -27.419 -11.310 1.00 50.40 ? 20 VAL M O 1 +ATOM 19189 C CB . VAL L 12 20 ? 17.419 -24.810 -13.352 1.00 46.07 ? 20 VAL M CB 1 +ATOM 19190 C CG1 . VAL L 12 20 ? 16.674 -24.597 -12.080 1.00 58.94 ? 20 VAL M CG1 1 +ATOM 19191 C CG2 . VAL L 12 20 ? 18.385 -23.674 -13.685 1.00 49.80 ? 20 VAL M CG2 1 +ATOM 19192 N N . PHE L 12 21 ? 16.447 -27.825 -12.948 1.00 47.31 ? 21 PHE M N 1 +ATOM 19193 C CA . PHE L 12 21 ? 15.820 -28.916 -12.219 1.00 50.63 ? 21 PHE M CA 1 +ATOM 19194 C C . PHE L 12 21 ? 16.852 -29.966 -11.804 1.00 50.83 ? 21 PHE M C 1 +ATOM 19195 O O . PHE L 12 21 ? 16.901 -30.389 -10.642 1.00 47.04 ? 21 PHE M O 1 +ATOM 19196 C CB . PHE L 12 21 ? 14.732 -29.528 -13.109 1.00 46.69 ? 21 PHE M CB 1 +ATOM 19197 C CG . PHE L 12 21 ? 14.151 -30.783 -12.576 1.00 48.78 ? 21 PHE M CG 1 +ATOM 19198 C CD1 . PHE L 12 21 ? 13.361 -30.767 -11.434 1.00 56.86 ? 21 PHE M CD1 1 +ATOM 19199 C CD2 . PHE L 12 21 ? 14.390 -31.980 -13.206 1.00 48.37 ? 21 PHE M CD2 1 +ATOM 19200 C CE1 . PHE L 12 21 ? 12.825 -31.958 -10.946 1.00 61.35 ? 21 PHE M CE1 1 +ATOM 19201 C CE2 . PHE L 12 21 ? 13.856 -33.168 -12.718 1.00 60.96 ? 21 PHE M CE2 1 +ATOM 19202 C CZ . PHE L 12 21 ? 13.073 -33.153 -11.599 1.00 48.97 ? 21 PHE M CZ 1 +ATOM 19203 N N . LEU L 12 22 ? 17.683 -30.403 -12.758 1.00 47.86 ? 22 LEU M N 1 +ATOM 19204 C CA . LEU L 12 22 ? 18.675 -31.435 -12.482 1.00 43.92 ? 22 LEU M CA 1 +ATOM 19205 C C . LEU L 12 22 ? 19.716 -30.966 -11.479 1.00 50.88 ? 22 LEU M C 1 +ATOM 19206 O O . LEU L 12 22 ? 20.174 -31.751 -10.638 1.00 46.70 ? 22 LEU M O 1 +ATOM 19207 C CB . LEU L 12 22 ? 19.364 -31.850 -13.774 1.00 47.51 ? 22 LEU M CB 1 +ATOM 19208 C CG . LEU L 12 22 ? 18.491 -32.525 -14.830 1.00 49.18 ? 22 LEU M CG 1 +ATOM 19209 C CD1 . LEU L 12 22 ? 19.349 -32.822 -16.037 1.00 45.63 ? 22 LEU M CD1 1 +ATOM 19210 C CD2 . LEU L 12 22 ? 17.861 -33.804 -14.287 1.00 45.64 ? 22 LEU M CD2 1 +ATOM 19211 N N . ILE L 12 23 ? 20.120 -29.696 -11.572 1.00 46.36 ? 23 ILE M N 1 +ATOM 19212 C CA . ILE L 12 23 ? 21.152 -29.166 -10.684 1.00 46.60 ? 23 ILE M CA 1 +ATOM 19213 C C . ILE L 12 23 ? 20.634 -29.083 -9.259 1.00 42.62 ? 23 ILE M C 1 +ATOM 19214 O O . ILE L 12 23 ? 21.334 -29.450 -8.311 1.00 49.48 ? 23 ILE M O 1 +ATOM 19215 C CB . ILE L 12 23 ? 21.653 -27.802 -11.202 1.00 48.12 ? 23 ILE M CB 1 +ATOM 19216 C CG1 . ILE L 12 23 ? 22.442 -28.018 -12.509 1.00 47.43 ? 23 ILE M CG1 1 +ATOM 19217 C CG2 . ILE L 12 23 ? 22.507 -27.098 -10.144 1.00 49.02 ? 23 ILE M CG2 1 +ATOM 19218 C CD1 . ILE L 12 23 ? 22.882 -26.744 -13.204 1.00 49.56 ? 23 ILE M CD1 1 +ATOM 19219 N N . ILE L 12 24 ? 19.386 -28.649 -9.085 1.00 51.12 ? 24 ILE M N 1 +ATOM 19220 C CA . ILE L 12 24 ? 18.784 -28.652 -7.753 1.00 45.76 ? 24 ILE M CA 1 +ATOM 19221 C C . ILE L 12 24 ? 18.811 -30.056 -7.158 1.00 49.46 ? 24 ILE M C 1 +ATOM 19222 O O . ILE L 12 24 ? 19.225 -30.249 -6.011 1.00 50.56 ? 24 ILE M O 1 +ATOM 19223 C CB . ILE L 12 24 ? 17.350 -28.092 -7.799 1.00 51.22 ? 24 ILE M CB 1 +ATOM 19224 C CG1 . ILE L 12 24 ? 17.348 -26.591 -8.151 1.00 49.12 ? 24 ILE M CG1 1 +ATOM 19225 C CG2 . ILE L 12 24 ? 16.644 -28.355 -6.452 1.00 46.97 ? 24 ILE M CG2 1 +ATOM 19226 C CD1 . ILE L 12 24 ? 16.029 -26.087 -8.688 1.00 46.14 ? 24 ILE M CD1 1 +ATOM 19227 N N . LEU L 12 25 ? 18.365 -31.059 -7.928 1.00 48.87 ? 25 LEU M N 1 +ATOM 19228 C CA . LEU L 12 25 ? 18.311 -32.422 -7.403 1.00 50.41 ? 25 LEU M CA 1 +ATOM 19229 C C . LEU L 12 25 ? 19.700 -32.943 -7.075 1.00 46.60 ? 25 LEU M C 1 +ATOM 19230 O O . LEU L 12 25 ? 19.898 -33.599 -6.046 1.00 47.08 ? 25 LEU M O 1 +ATOM 19231 C CB . LEU L 12 25 ? 17.621 -33.361 -8.394 1.00 45.00 ? 25 LEU M CB 1 +ATOM 19232 C CG . LEU L 12 25 ? 16.096 -33.250 -8.441 1.00 61.47 ? 25 LEU M CG 1 +ATOM 19233 C CD1 . LEU L 12 25 ? 15.522 -34.336 -9.285 1.00 51.92 ? 25 LEU M CD1 1 +ATOM 19234 C CD2 . LEU L 12 25 ? 15.504 -33.316 -7.056 1.00 61.67 ? 25 LEU M CD2 1 +ATOM 19235 N N . TYR L 12 26 ? 20.674 -32.658 -7.935 1.00 45.85 ? 26 TYR M N 1 +ATOM 19236 C CA . TYR L 12 26 ? 22.023 -33.157 -7.711 1.00 47.44 ? 26 TYR M CA 1 +ATOM 19237 C C . TYR L 12 26 ? 22.633 -32.557 -6.444 1.00 57.87 ? 26 TYR M C 1 +ATOM 19238 O O . TYR L 12 26 ? 23.191 -33.277 -5.605 1.00 48.61 ? 26 TYR M O 1 +ATOM 19239 C CB . TYR L 12 26 ? 22.898 -32.853 -8.923 1.00 39.47 ? 26 TYR M CB 1 +ATOM 19240 C CG . TYR L 12 26 ? 24.333 -33.159 -8.643 1.00 49.71 ? 26 TYR M CG 1 +ATOM 19241 C CD1 . TYR L 12 26 ? 24.746 -34.474 -8.415 1.00 39.98 ? 26 TYR M CD1 1 +ATOM 19242 C CD2 . TYR L 12 26 ? 25.285 -32.140 -8.563 1.00 49.98 ? 26 TYR M CD2 1 +ATOM 19243 C CE1 . TYR L 12 26 ? 26.062 -34.774 -8.134 1.00 48.38 ? 26 TYR M CE1 1 +ATOM 19244 C CE2 . TYR L 12 26 ? 26.621 -32.434 -8.281 1.00 55.99 ? 26 TYR M CE2 1 +ATOM 19245 C CZ . TYR L 12 26 ? 26.997 -33.757 -8.063 1.00 57.32 ? 26 TYR M CZ 1 +ATOM 19246 O OH . TYR L 12 26 ? 28.305 -34.066 -7.774 1.00 54.66 ? 26 TYR M OH 1 +ATOM 19247 N N . VAL L 12 27 ? 22.541 -31.230 -6.296 1.00 48.73 ? 27 VAL M N 1 +ATOM 19248 C CA . VAL L 12 27 ? 23.239 -30.546 -5.212 1.00 46.59 ? 27 VAL M CA 1 +ATOM 19249 C C . VAL L 12 27 ? 22.661 -30.952 -3.859 1.00 50.56 ? 27 VAL M C 1 +ATOM 19250 O O . VAL L 12 27 ? 23.405 -31.187 -2.899 1.00 50.17 ? 27 VAL M O 1 +ATOM 19251 C CB . VAL L 12 27 ? 23.197 -29.013 -5.430 1.00 44.62 ? 27 VAL M CB 1 +ATOM 19252 C CG1 . VAL L 12 27 ? 23.679 -28.288 -4.190 1.00 51.68 ? 27 VAL M CG1 1 +ATOM 19253 C CG2 . VAL L 12 27 ? 24.091 -28.629 -6.587 1.00 46.51 ? 27 VAL M CG2 1 +ATOM 19254 N N . GLN L 12 28 ? 21.332 -31.054 -3.755 1.00 49.00 ? 28 GLN M N 1 +ATOM 19255 C CA . GLN L 12 28 ? 20.762 -31.537 -2.500 1.00 48.94 ? 28 GLN M CA 1 +ATOM 19256 C C . GLN L 12 28 ? 21.022 -33.030 -2.269 1.00 51.12 ? 28 GLN M C 1 +ATOM 19257 O O . GLN L 12 28 ? 20.790 -33.511 -1.158 1.00 51.96 ? 28 GLN M O 1 +ATOM 19258 C CB . GLN L 12 28 ? 19.255 -31.235 -2.446 1.00 43.65 ? 28 GLN M CB 1 +ATOM 19259 C CG . GLN L 12 28 ? 18.399 -32.030 -3.444 1.00 49.78 ? 28 GLN M CG 1 +ATOM 19260 C CD . GLN L 12 28 ? 17.965 -33.389 -2.921 1.00 51.02 ? 28 GLN M CD 1 +ATOM 19261 O OE1 . GLN L 12 28 ? 17.514 -33.505 -1.779 1.00 54.72 ? 28 GLN M OE1 1 +ATOM 19262 N NE2 . GLN L 12 28 ? 18.103 -34.426 -3.748 1.00 50.74 ? 28 GLN M NE2 1 +ATOM 19263 N N . THR L 12 29 ? 21.486 -33.780 -3.279 1.00 45.01 ? 29 THR M N 1 +ATOM 19264 C CA . THR L 12 29 ? 21.936 -35.146 -3.011 1.00 50.95 ? 29 THR M CA 1 +ATOM 19265 C C . THR L 12 29 ? 23.318 -35.138 -2.363 1.00 50.12 ? 29 THR M C 1 +ATOM 19266 O O . THR L 12 29 ? 23.542 -35.827 -1.368 1.00 54.85 ? 29 THR M O 1 +ATOM 19267 C CB . THR L 12 29 ? 21.943 -35.986 -4.296 1.00 49.54 ? 29 THR M CB 1 +ATOM 19268 O OG1 . THR L 12 29 ? 20.646 -35.942 -4.900 1.00 49.68 ? 29 THR M OG1 1 +ATOM 19269 C CG2 . THR L 12 29 ? 22.300 -37.461 -3.994 1.00 45.59 ? 29 THR M CG2 1 +ATOM 19270 N N . GLU L 12 30 ? 24.247 -34.343 -2.905 1.00 54.31 ? 30 GLU M N 1 +ATOM 19271 C CA . GLU L 12 30 ? 25.576 -34.213 -2.317 1.00 49.43 ? 30 GLU M CA 1 +ATOM 19272 C C . GLU L 12 30 ? 25.513 -33.710 -0.880 1.00 58.87 ? 30 GLU M C 1 +ATOM 19273 O O . GLU L 12 30 ? 26.319 -34.114 -0.036 1.00 66.09 ? 30 GLU M O 1 +ATOM 19274 C CB . GLU L 12 30 ? 26.427 -33.258 -3.150 1.00 53.03 ? 30 GLU M CB 1 +ATOM 19275 C CG . GLU L 12 30 ? 26.781 -33.786 -4.485 1.00 56.04 ? 30 GLU M CG 1 +ATOM 19276 C CD . GLU L 12 30 ? 27.651 -35.007 -4.383 1.00 60.18 ? 30 GLU M CD 1 +ATOM 19277 O OE1 . GLU L 12 30 ? 28.885 -34.846 -4.375 1.00 87.32 ? 30 GLU M OE1 1 +ATOM 19278 O OE2 . GLU L 12 30 ? 27.103 -36.123 -4.283 1.00 79.42 ? 30 GLU M OE2 1 +ATOM 19279 N N . SER L 12 31 ? 24.577 -32.817 -0.582 1.00 53.12 ? 31 SER M N 1 +ATOM 19280 C CA . SER L 12 31 ? 24.552 -32.231 0.745 1.00 61.17 ? 31 SER M CA 1 +ATOM 19281 C C . SER L 12 31 ? 23.940 -33.160 1.790 1.00 52.82 ? 31 SER M C 1 +ATOM 19282 O O . SER L 12 31 ? 23.961 -32.825 2.974 1.00 71.97 ? 31 SER M O 1 +ATOM 19283 C CB . SER L 12 31 ? 23.806 -30.892 0.706 1.00 52.91 ? 31 SER M CB 1 +ATOM 19284 O OG . SER L 12 31 ? 22.405 -31.081 0.657 1.00 58.20 ? 31 SER M OG 1 +ATOM 19285 N N . GLN L 12 32 ? 23.395 -34.302 1.388 1.00 60.10 ? 32 GLN M N 1 +ATOM 19286 C CA . GLN L 12 32 ? 22.929 -35.311 2.327 1.00 80.77 ? 32 GLN M CA 1 +ATOM 19287 C C . GLN L 12 32 ? 24.101 -36.147 2.842 1.00 75.93 ? 32 GLN M C 1 +ATOM 19288 O O . GLN L 12 32 ? 25.168 -36.222 2.224 1.00 77.34 ? 32 GLN M O 1 +ATOM 19289 C CB . GLN L 12 32 ? 21.909 -36.243 1.671 1.00 61.11 ? 32 GLN M CB 1 +ATOM 19290 C CG . GLN L 12 32 ? 20.611 -35.607 1.243 1.00 63.88 ? 32 GLN M CG 1 +ATOM 19291 C CD . GLN L 12 32 ? 19.760 -36.583 0.428 1.00 67.13 ? 32 GLN M CD 1 +ATOM 19292 O OE1 . GLN L 12 32 ? 19.762 -37.771 0.697 1.00 77.71 ? 32 GLN M OE1 1 +ATOM 19293 N NE2 . GLN L 12 32 ? 19.046 -36.081 -0.576 1.00 61.44 ? 32 GLN M NE2 1 +ATOM 19294 N N . GLN L 12 33 ? 23.887 -36.792 3.985 1.00 103.05 ? 33 GLN M N 1 +ATOM 19295 C CA . GLN L 12 33 ? 24.889 -37.712 4.528 1.00 130.06 ? 33 GLN M CA 1 +ATOM 19296 C C . GLN L 12 33 ? 24.476 -39.166 4.326 1.00 134.92 ? 33 GLN M C 1 +ATOM 19297 O O . GLN L 12 33 ? 25.091 -39.890 3.540 1.00 149.67 ? 33 GLN M O 1 +ATOM 19298 C CB . GLN L 12 33 ? 25.132 -37.437 6.011 1.00 118.63 ? 33 GLN M CB 1 +ATOM 19299 C CG . GLN L 12 33 ? 25.868 -36.134 6.267 1.00 141.06 ? 33 GLN M CG 1 +ATOM 19300 C CD . GLN L 12 33 ? 25.347 -35.390 7.488 1.00 156.89 ? 33 GLN M CD 1 +ATOM 19301 O OE1 . GLN L 12 33 ? 25.044 -35.998 8.520 1.00 151.66 ? 33 GLN M OE1 1 +ATOM 19302 N NE2 . GLN L 12 33 ? 25.229 -34.065 7.371 1.00 134.40 ? 33 GLN M NE2 1 +ATOM 19303 N N . THR M 13 2 ? 60.718 -25.058 -77.607 1.00 131.42 ? 4 THR O N 1 +ATOM 19304 C CA . THR M 13 2 ? 60.406 -26.384 -78.134 1.00 131.08 ? 4 THR O CA 1 +ATOM 19305 C C . THR M 13 2 ? 59.856 -27.299 -77.028 1.00 129.71 ? 4 THR O C 1 +ATOM 19306 O O . THR M 13 2 ? 60.170 -28.492 -76.981 1.00 126.04 ? 4 THR O O 1 +ATOM 19307 C CB . THR M 13 2 ? 61.653 -27.032 -78.791 1.00 121.10 ? 4 THR O CB 1 +ATOM 19308 O OG1 . THR M 13 2 ? 61.425 -28.431 -78.994 1.00 130.59 ? 4 THR O OG1 1 +ATOM 19309 C CG2 . THR M 13 2 ? 62.891 -26.840 -77.923 1.00 121.87 ? 4 THR O CG2 1 +ATOM 19310 N N . LEU M 13 3 ? 59.024 -26.727 -76.152 1.00 115.52 ? 5 LEU O N 1 +ATOM 19311 C CA . LEU M 13 3 ? 58.444 -27.449 -75.025 1.00 96.48 ? 5 LEU O CA 1 +ATOM 19312 C C . LEU M 13 3 ? 57.171 -28.180 -75.439 1.00 97.10 ? 5 LEU O C 1 +ATOM 19313 O O . LEU M 13 3 ? 56.385 -27.679 -76.250 1.00 100.05 ? 5 LEU O O 1 +ATOM 19314 C CB . LEU M 13 3 ? 58.132 -26.488 -73.872 1.00 102.67 ? 5 LEU O CB 1 +ATOM 19315 C CG . LEU M 13 3 ? 59.306 -25.742 -73.231 1.00 99.91 ? 5 LEU O CG 1 +ATOM 19316 C CD1 . LEU M 13 3 ? 58.888 -25.056 -71.941 1.00 90.88 ? 5 LEU O CD1 1 +ATOM 19317 C CD2 . LEU M 13 3 ? 60.470 -26.684 -72.975 1.00 107.23 ? 5 LEU O CD2 1 +ATOM 19318 N N . THR M 13 4 ? 56.969 -29.366 -74.871 1.00 81.27 ? 6 THR O N 1 +ATOM 19319 C CA . THR M 13 4 ? 55.794 -30.184 -75.130 1.00 72.57 ? 6 THR O CA 1 +ATOM 19320 C C . THR M 13 4 ? 54.805 -30.070 -73.971 1.00 77.26 ? 6 THR O C 1 +ATOM 19321 O O . THR M 13 4 ? 55.104 -29.493 -72.920 1.00 57.32 ? 6 THR O O 1 +ATOM 19322 C CB . THR M 13 4 ? 56.192 -31.646 -75.323 1.00 78.73 ? 6 THR O CB 1 +ATOM 19323 O OG1 . THR M 13 4 ? 56.641 -32.176 -74.073 1.00 74.43 ? 6 THR O OG1 1 +ATOM 19324 C CG2 . THR M 13 4 ? 57.313 -31.756 -76.328 1.00 84.51 ? 6 THR O CG2 1 +ATOM 19325 N N . TYR M 13 5 ? 53.618 -30.657 -74.174 1.00 64.03 ? 7 TYR O N 1 +ATOM 19326 C CA . TYR M 13 5 ? 52.571 -30.613 -73.154 1.00 62.39 ? 7 TYR O CA 1 +ATOM 19327 C C . TYR M 13 5 ? 53.060 -31.180 -71.831 1.00 62.58 ? 7 TYR O C 1 +ATOM 19328 O O . TYR M 13 5 ? 52.793 -30.613 -70.768 1.00 59.63 ? 7 TYR O O 1 +ATOM 19329 C CB . TYR M 13 5 ? 51.338 -31.377 -73.629 1.00 65.02 ? 7 TYR O CB 1 +ATOM 19330 C CG . TYR M 13 5 ? 50.180 -31.378 -72.646 1.00 65.41 ? 7 TYR O CG 1 +ATOM 19331 C CD1 . TYR M 13 5 ? 49.410 -30.234 -72.447 1.00 52.99 ? 7 TYR O CD1 1 +ATOM 19332 C CD2 . TYR M 13 5 ? 49.841 -32.531 -71.933 1.00 70.50 ? 7 TYR O CD2 1 +ATOM 19333 C CE1 . TYR M 13 5 ? 48.342 -30.229 -71.562 1.00 48.46 ? 7 TYR O CE1 1 +ATOM 19334 C CE2 . TYR M 13 5 ? 48.771 -32.534 -71.024 1.00 56.79 ? 7 TYR O CE2 1 +ATOM 19335 C CZ . TYR M 13 5 ? 48.023 -31.376 -70.858 1.00 57.65 ? 7 TYR O CZ 1 +ATOM 19336 O OH . TYR M 13 5 ? 46.951 -31.357 -69.998 1.00 53.88 ? 7 TYR O OH 1 +ATOM 19337 N N . ASP M 13 6 ? 53.784 -32.294 -71.875 1.00 64.22 ? 8 ASP O N 1 +ATOM 19338 C CA . ASP M 13 6 ? 54.299 -32.887 -70.651 1.00 61.30 ? 8 ASP O CA 1 +ATOM 19339 C C . ASP M 13 6 ? 55.362 -32.017 -69.989 1.00 63.41 ? 8 ASP O C 1 +ATOM 19340 O O . ASP M 13 6 ? 55.567 -32.130 -68.775 1.00 70.67 ? 8 ASP O O 1 +ATOM 19341 C CB . ASP M 13 6 ? 54.833 -34.284 -70.954 1.00 73.99 ? 8 ASP O CB 1 +ATOM 19342 C CG . ASP M 13 6 ? 53.715 -35.300 -71.127 1.00 73.98 ? 8 ASP O CG 1 +ATOM 19343 O OD1 . ASP M 13 6 ? 53.106 -35.704 -70.109 1.00 76.37 ? 8 ASP O OD1 1 +ATOM 19344 O OD2 . ASP M 13 6 ? 53.419 -35.650 -72.282 1.00 74.16 ? 8 ASP O OD2 1 +ATOM 19345 N N . ASP M 13 7 ? 56.025 -31.136 -70.747 1.00 69.19 ? 9 ASP O N 1 +ATOM 19346 C CA . ASP M 13 7 ? 56.919 -30.150 -70.135 1.00 69.96 ? 9 ASP O CA 1 +ATOM 19347 C C . ASP M 13 7 ? 56.147 -29.098 -69.350 1.00 66.30 ? 9 ASP O C 1 +ATOM 19348 O O . ASP M 13 7 ? 56.635 -28.601 -68.328 1.00 74.20 ? 9 ASP O O 1 +ATOM 19349 C CB . ASP M 13 7 ? 57.762 -29.451 -71.209 1.00 87.75 ? 9 ASP O CB 1 +ATOM 19350 C CG . ASP M 13 7 ? 58.681 -30.403 -71.954 1.00 87.03 ? 9 ASP O CG 1 +ATOM 19351 O OD1 . ASP M 13 7 ? 59.399 -31.183 -71.289 1.00 78.58 ? 9 ASP O OD1 1 +ATOM 19352 O OD2 . ASP M 13 7 ? 58.675 -30.372 -73.202 1.00 81.32 ? 9 ASP O OD2 1 +ATOM 19353 N N . ILE M 13 8 ? 54.938 -28.762 -69.799 1.00 73.55 ? 10 ILE O N 1 +ATOM 19354 C CA . ILE M 13 8 ? 54.203 -27.584 -69.343 1.00 60.40 ? 10 ILE O CA 1 +ATOM 19355 C C . ILE M 13 8 ? 53.145 -27.926 -68.290 1.00 68.15 ? 10 ILE O C 1 +ATOM 19356 O O . ILE M 13 8 ? 52.833 -27.090 -67.430 1.00 62.63 ? 10 ILE O O 1 +ATOM 19357 C CB . ILE M 13 8 ? 53.576 -26.888 -70.568 1.00 73.08 ? 10 ILE O CB 1 +ATOM 19358 C CG1 . ILE M 13 8 ? 54.676 -26.193 -71.376 1.00 74.44 ? 10 ILE O CG1 1 +ATOM 19359 C CG2 . ILE M 13 8 ? 52.443 -25.916 -70.170 1.00 60.96 ? 10 ILE O CG2 1 +ATOM 19360 C CD1 . ILE M 13 8 ? 54.294 -25.890 -72.790 1.00 83.27 ? 10 ILE O CD1 1 +ATOM 19361 N N . VAL M 13 9 ? 52.607 -29.156 -68.330 1.00 53.00 ? 11 VAL O N 1 +ATOM 19362 C CA . VAL M 13 9 ? 51.360 -29.457 -67.626 1.00 56.05 ? 11 VAL O CA 1 +ATOM 19363 C C . VAL M 13 9 ? 51.559 -29.337 -66.123 1.00 54.26 ? 11 VAL O C 1 +ATOM 19364 O O . VAL M 13 9 ? 52.513 -29.875 -65.553 1.00 64.14 ? 11 VAL O O 1 +ATOM 19365 C CB . VAL M 13 9 ? 50.822 -30.847 -68.025 1.00 60.23 ? 11 VAL O CB 1 +ATOM 19366 C CG1 . VAL M 13 9 ? 51.805 -31.963 -67.671 1.00 61.87 ? 11 VAL O CG1 1 +ATOM 19367 C CG2 . VAL M 13 9 ? 49.454 -31.115 -67.371 1.00 54.41 ? 11 VAL O CG2 1 +ATOM 19368 N N . GLY M 13 10 ? 50.656 -28.608 -65.476 1.00 60.12 ? 12 GLY O N 1 +ATOM 19369 C CA . GLY M 13 10 ? 50.710 -28.379 -64.050 1.00 53.06 ? 12 GLY O CA 1 +ATOM 19370 C C . GLY M 13 10 ? 51.573 -27.219 -63.606 1.00 62.12 ? 12 GLY O C 1 +ATOM 19371 O O . GLY M 13 10 ? 51.586 -26.909 -62.415 1.00 57.92 ? 12 GLY O O 1 +ATOM 19372 N N . THR M 13 11 ? 52.283 -26.555 -64.512 1.00 59.20 ? 13 THR O N 1 +ATOM 19373 C CA . THR M 13 11 ? 53.238 -25.537 -64.089 1.00 60.88 ? 13 THR O CA 1 +ATOM 19374 C C . THR M 13 11 ? 52.629 -24.154 -63.943 1.00 56.79 ? 13 THR O C 1 +ATOM 19375 O O . THR M 13 11 ? 53.188 -23.337 -63.211 1.00 68.13 ? 13 THR O O 1 +ATOM 19376 C CB . THR M 13 11 ? 54.405 -25.422 -65.083 1.00 63.01 ? 13 THR O CB 1 +ATOM 19377 O OG1 . THR M 13 11 ? 53.929 -24.879 -66.322 1.00 57.52 ? 13 THR O OG1 1 +ATOM 19378 C CG2 . THR M 13 11 ? 55.062 -26.770 -65.327 1.00 63.83 ? 13 THR O CG2 1 +ATOM 19379 N N . GLY M 13 12 ? 51.532 -23.860 -64.648 1.00 67.15 ? 14 GLY O N 1 +ATOM 19380 C CA . GLY M 13 12 ? 51.026 -22.510 -64.786 1.00 49.86 ? 14 GLY O CA 1 +ATOM 19381 C C . GLY M 13 12 ? 51.405 -21.844 -66.092 1.00 62.57 ? 14 GLY O C 1 +ATOM 19382 O O . GLY M 13 12 ? 50.761 -20.856 -66.486 1.00 62.48 ? 14 GLY O O 1 +ATOM 19383 N N . LEU M 13 13 ? 52.404 -22.381 -66.802 1.00 57.48 ? 15 LEU O N 1 +ATOM 19384 C CA . LEU M 13 13 ? 52.834 -21.746 -68.048 1.00 62.78 ? 15 LEU O CA 1 +ATOM 19385 C C . LEU M 13 13 ? 51.732 -21.726 -69.102 1.00 50.89 ? 15 LEU O C 1 +ATOM 19386 O O . LEU M 13 13 ? 51.727 -20.847 -69.964 1.00 59.38 ? 15 LEU O O 1 +ATOM 19387 C CB . LEU M 13 13 ? 54.076 -22.448 -68.587 1.00 71.22 ? 15 LEU O CB 1 +ATOM 19388 C CG . LEU M 13 13 ? 55.335 -22.134 -67.783 1.00 80.69 ? 15 LEU O CG 1 +ATOM 19389 C CD1 . LEU M 13 13 ? 56.449 -23.073 -68.191 1.00 90.31 ? 15 LEU O CD1 1 +ATOM 19390 C CD2 . LEU M 13 13 ? 55.727 -20.694 -68.037 1.00 82.26 ? 15 LEU O CD2 1 +ATOM 19391 N N . ALA M 13 14 ? 50.772 -22.654 -69.037 1.00 56.21 ? 16 ALA O N 1 +ATOM 19392 C CA . ALA M 13 14 ? 49.692 -22.663 -70.022 1.00 47.17 ? 16 ALA O CA 1 +ATOM 19393 C C . ALA M 13 14 ? 48.770 -21.448 -69.917 1.00 56.15 ? 16 ALA O C 1 +ATOM 19394 O O . ALA M 13 14 ? 48.033 -21.161 -70.866 1.00 58.37 ? 16 ALA O O 1 +ATOM 19395 C CB . ALA M 13 14 ? 48.876 -23.953 -69.889 1.00 51.15 ? 16 ALA O CB 1 +ATOM 19396 N N . ASN M 13 15 ? 48.778 -20.730 -68.791 1.00 58.36 ? 17 ASN O N 1 +ATOM 19397 C CA . ASN M 13 15 ? 47.982 -19.518 -68.669 1.00 61.83 ? 17 ASN O CA 1 +ATOM 19398 C C . ASN M 13 15 ? 48.801 -18.258 -68.959 1.00 70.02 ? 17 ASN O C 1 +ATOM 19399 O O . ASN M 13 15 ? 48.300 -17.145 -68.770 1.00 60.46 ? 17 ASN O O 1 +ATOM 19400 C CB . ASN M 13 15 ? 47.347 -19.438 -67.270 1.00 51.24 ? 17 ASN O CB 1 +ATOM 19401 C CG . ASN M 13 15 ? 46.194 -18.438 -67.197 1.00 53.36 ? 17 ASN O CG 1 +ATOM 19402 O OD1 . ASN M 13 15 ? 45.311 -18.393 -68.072 1.00 52.08 ? 17 ASN O OD1 1 +ATOM 19403 N ND2 . ASN M 13 15 ? 46.195 -17.631 -66.138 1.00 52.79 ? 17 ASN O ND2 1 +ATOM 19404 N N . LYS M 13 16 ? 50.043 -18.403 -69.417 1.00 64.76 ? 18 LYS O N 1 +ATOM 19405 C CA . LYS M 13 16 ? 50.888 -17.253 -69.720 1.00 66.26 ? 18 LYS O CA 1 +ATOM 19406 C C . LYS M 13 16 ? 50.949 -17.032 -71.224 1.00 62.11 ? 18 LYS O C 1 +ATOM 19407 O O . LYS M 13 16 ? 50.979 -17.989 -72.004 1.00 64.60 ? 18 LYS O O 1 +ATOM 19408 C CB . LYS M 13 16 ? 52.308 -17.431 -69.172 1.00 54.74 ? 18 LYS O CB 1 +ATOM 19409 C CG . LYS M 13 16 ? 52.386 -17.704 -67.671 1.00 66.96 ? 18 LYS O CG 1 +ATOM 19410 C CD . LYS M 13 16 ? 51.700 -16.627 -66.875 1.00 77.94 ? 18 LYS O CD 1 +ATOM 19411 C CE . LYS M 13 16 ? 51.695 -16.969 -65.390 1.00 87.28 ? 18 LYS O CE 1 +ATOM 19412 N NZ . LYS M 13 16 ? 50.986 -15.904 -64.614 1.00 106.87 ? 18 LYS O NZ 1 +ATOM 19413 N N . CYS M 13 17 ? 50.965 -15.763 -71.625 1.00 73.76 ? 19 CYS O N 1 +ATOM 19414 C CA . CYS M 13 17 ? 51.215 -15.459 -73.019 1.00 57.46 ? 19 CYS O CA 1 +ATOM 19415 C C . CYS M 13 17 ? 52.715 -15.462 -73.289 1.00 69.12 ? 19 CYS O C 1 +ATOM 19416 O O . CYS M 13 17 ? 53.514 -15.250 -72.374 1.00 64.27 ? 19 CYS O O 1 +ATOM 19417 C CB . CYS M 13 17 ? 50.641 -14.109 -73.391 1.00 55.94 ? 19 CYS O CB 1 +ATOM 19418 S SG . CYS M 13 17 ? 48.866 -14.000 -73.258 1.00 62.29 ? 19 CYS O SG 1 +ATOM 19419 N N . PRO M 13 18 ? 53.119 -15.727 -74.532 1.00 75.64 ? 20 PRO O N 1 +ATOM 19420 C CA . PRO M 13 18 ? 54.541 -15.614 -74.880 1.00 72.43 ? 20 PRO O CA 1 +ATOM 19421 C C . PRO M 13 18 ? 55.015 -14.174 -74.776 1.00 68.07 ? 20 PRO O C 1 +ATOM 19422 O O . PRO M 13 18 ? 54.263 -13.227 -75.009 1.00 76.22 ? 20 PRO O O 1 +ATOM 19423 C CB . PRO M 13 18 ? 54.599 -16.116 -76.328 1.00 61.99 ? 20 PRO O CB 1 +ATOM 19424 C CG . PRO M 13 18 ? 53.303 -16.833 -76.548 1.00 76.20 ? 20 PRO O CG 1 +ATOM 19425 C CD . PRO M 13 18 ? 52.301 -16.171 -75.674 1.00 63.80 ? 20 PRO O CD 1 +ATOM 19426 N N . THR M 13 19 ? 56.274 -14.015 -74.401 1.00 71.52 ? 21 THR O N 1 +ATOM 19427 C CA . THR M 13 19 ? 56.918 -12.713 -74.385 1.00 87.79 ? 21 THR O CA 1 +ATOM 19428 C C . THR M 13 19 ? 57.955 -12.648 -75.501 1.00 93.40 ? 21 THR O C 1 +ATOM 19429 O O . THR M 13 19 ? 58.478 -13.673 -75.948 1.00 81.69 ? 21 THR O O 1 +ATOM 19430 C CB . THR M 13 19 ? 57.591 -12.440 -73.035 1.00 98.33 ? 21 THR O CB 1 +ATOM 19431 O OG1 . THR M 13 19 ? 58.598 -13.433 -72.805 1.00 99.05 ? 21 THR O OG1 1 +ATOM 19432 C CG2 . THR M 13 19 ? 56.568 -12.482 -71.889 1.00 77.64 ? 21 THR O CG2 1 +ATOM 19433 N N . LEU M 13 20 ? 58.240 -11.434 -75.956 1.00 95.52 ? 22 LEU O N 1 +ATOM 19434 C CA . LEU M 13 20 ? 59.324 -11.210 -76.897 1.00 87.55 ? 22 LEU O CA 1 +ATOM 19435 C C . LEU M 13 20 ? 60.587 -10.819 -76.145 1.00 82.78 ? 22 LEU O C 1 +ATOM 19436 O O . LEU M 13 20 ? 60.535 -10.292 -75.031 1.00 90.30 ? 22 LEU O O 1 +ATOM 19437 C CB . LEU M 13 20 ? 58.953 -10.123 -77.907 1.00 74.60 ? 22 LEU O CB 1 +ATOM 19438 C CG . LEU M 13 20 ? 57.812 -10.508 -78.848 1.00 72.76 ? 22 LEU O CG 1 +ATOM 19439 C CD1 . LEU M 13 20 ? 57.489 -9.392 -79.836 1.00 72.49 ? 22 LEU O CD1 1 +ATOM 19440 C CD2 . LEU M 13 20 ? 58.154 -11.808 -79.565 1.00 74.22 ? 22 LEU O CD2 1 +ATOM 19441 N N . ASP M 13 21 ? 61.731 -11.101 -76.759 1.00 103.22 ? 23 ASP O N 1 +ATOM 19442 C CA . ASP M 13 21 ? 62.998 -10.698 -76.171 1.00 109.69 ? 23 ASP O CA 1 +ATOM 19443 C C . ASP M 13 21 ? 63.047 -9.181 -76.020 1.00 102.92 ? 23 ASP O C 1 +ATOM 19444 O O . ASP M 13 21 ? 62.410 -8.438 -76.772 1.00 111.92 ? 23 ASP O O 1 +ATOM 19445 C CB . ASP M 13 21 ? 64.156 -11.189 -77.038 1.00 108.98 ? 23 ASP O CB 1 +ATOM 19446 C CG . ASP M 13 21 ? 65.505 -10.974 -76.385 1.00 139.96 ? 23 ASP O CG 1 +ATOM 19447 O OD1 . ASP M 13 21 ? 65.549 -10.675 -75.168 1.00 128.25 ? 23 ASP O OD1 1 +ATOM 19448 O OD2 . ASP M 13 21 ? 66.525 -11.102 -77.096 1.00 154.33 ? 23 ASP O OD2 1 +ATOM 19449 N N . ASP M 13 22 ? 63.804 -8.716 -75.023 1.00 113.44 ? 24 ASP O N 1 +ATOM 19450 C CA . ASP M 13 22 ? 63.959 -7.277 -74.822 1.00 103.78 ? 24 ASP O CA 1 +ATOM 19451 C C . ASP M 13 22 ? 64.651 -6.589 -75.995 1.00 131.58 ? 24 ASP O C 1 +ATOM 19452 O O . ASP M 13 22 ? 64.595 -5.355 -76.094 1.00 113.16 ? 24 ASP O O 1 +ATOM 19453 C CB . ASP M 13 22 ? 64.727 -7.012 -73.529 1.00 118.88 ? 24 ASP O CB 1 +ATOM 19454 C CG . ASP M 13 22 ? 63.807 -6.727 -72.356 1.00 135.15 ? 24 ASP O CG 1 +ATOM 19455 O OD1 . ASP M 13 22 ? 62.879 -5.901 -72.511 1.00 124.22 ? 24 ASP O OD1 1 +ATOM 19456 O OD2 . ASP M 13 22 ? 64.005 -7.334 -71.282 1.00 150.63 ? 24 ASP O OD2 1 +ATOM 19457 N N . THR M 13 23 ? 65.289 -7.351 -76.886 1.00 123.83 ? 25 THR O N 1 +ATOM 19458 C CA . THR M 13 23 ? 65.904 -6.776 -78.073 1.00 105.75 ? 25 THR O CA 1 +ATOM 19459 C C . THR M 13 23 ? 64.872 -6.408 -79.132 1.00 116.78 ? 25 THR O C 1 +ATOM 19460 O O . THR M 13 23 ? 65.095 -5.468 -79.903 1.00 136.73 ? 25 THR O O 1 +ATOM 19461 C CB . THR M 13 23 ? 66.924 -7.755 -78.660 1.00 117.50 ? 25 THR O CB 1 +ATOM 19462 O OG1 . THR M 13 23 ? 66.246 -8.906 -79.181 1.00 125.99 ? 25 THR O OG1 1 +ATOM 19463 C CG2 . THR M 13 23 ? 67.902 -8.202 -77.586 1.00 117.40 ? 25 THR O CG2 1 +ATOM 19464 N N . ALA M 13 24 ? 63.746 -7.120 -79.183 1.00 111.42 ? 26 ALA O N 1 +ATOM 19465 C CA . ALA M 13 24 ? 62.734 -6.908 -80.212 1.00 106.13 ? 26 ALA O CA 1 +ATOM 19466 C C . ALA M 13 24 ? 62.189 -5.482 -80.204 1.00 105.15 ? 26 ALA O C 1 +ATOM 19467 O O . ALA M 13 24 ? 61.057 -5.248 -79.769 1.00 97.62 ? 26 ALA O O 1 +ATOM 19468 C CB . ALA M 13 24 ? 61.588 -7.908 -80.039 1.00 86.07 ? 26 ALA O CB 1 +ATOM 19469 N N . ARG M 13 25 ? 62.983 -4.523 -80.685 1.00 109.66 ? 27 ARG O N 1 +ATOM 19470 C CA . ARG M 13 25 ? 62.543 -3.142 -80.845 1.00 105.82 ? 27 ARG O CA 1 +ATOM 19471 C C . ARG M 13 25 ? 62.337 -2.778 -82.311 1.00 109.07 ? 27 ARG O C 1 +ATOM 19472 O O . ARG M 13 25 ? 62.366 -1.596 -82.665 1.00 119.07 ? 27 ARG O O 1 +ATOM 19473 C CB . ARG M 13 25 ? 63.548 -2.181 -80.210 1.00 107.12 ? 27 ARG O CB 1 +ATOM 19474 C CG . ARG M 13 25 ? 63.925 -2.502 -78.782 1.00 121.33 ? 27 ARG O CG 1 +ATOM 19475 C CD . ARG M 13 25 ? 62.732 -2.423 -77.848 1.00 131.52 ? 27 ARG O CD 1 +ATOM 19476 N NE . ARG M 13 25 ? 63.129 -2.650 -76.464 1.00 134.65 ? 27 ARG O NE 1 +ATOM 19477 C CZ . ARG M 13 25 ? 62.298 -2.993 -75.489 1.00 139.07 ? 27 ARG O CZ 1 +ATOM 19478 N NH1 . ARG M 13 25 ? 61.006 -3.175 -75.713 1.00 115.81 ? 27 ARG O NH1 1 +ATOM 19479 N NH2 . ARG M 13 25 ? 62.776 -3.162 -74.258 1.00 145.88 ? 27 ARG O NH2 1 +ATOM 19480 N N . GLY M 13 26 ? 62.129 -3.773 -83.169 1.00 109.60 ? 28 GLY O N 1 +ATOM 19481 C CA . GLY M 13 26 ? 62.120 -3.564 -84.600 1.00 79.65 ? 28 GLY O CA 1 +ATOM 19482 C C . GLY M 13 26 ? 60.877 -2.900 -85.144 1.00 92.81 ? 28 GLY O C 1 +ATOM 19483 O O . GLY M 13 26 ? 60.185 -2.152 -84.445 1.00 77.94 ? 28 GLY O O 1 +ATOM 19484 N N . ALA M 13 27 ? 60.602 -3.168 -86.418 1.00 89.53 ? 29 ALA O N 1 +ATOM 19485 C CA . ALA M 13 27 ? 59.486 -2.565 -87.125 1.00 81.46 ? 29 ALA O CA 1 +ATOM 19486 C C . ALA M 13 27 ? 58.970 -3.572 -88.130 1.00 85.14 ? 29 ALA O C 1 +ATOM 19487 O O . ALA M 13 27 ? 59.755 -4.227 -88.820 1.00 82.86 ? 29 ALA O O 1 +ATOM 19488 C CB . ALA M 13 27 ? 59.892 -1.272 -87.838 1.00 95.36 ? 29 ALA O CB 1 +ATOM 19489 N N . TYR M 13 28 ? 57.654 -3.701 -88.196 1.00 93.76 ? 30 TYR O N 1 +ATOM 19490 C CA . TYR M 13 28 ? 57.037 -4.659 -89.099 1.00 91.92 ? 30 TYR O CA 1 +ATOM 19491 C C . TYR M 13 28 ? 56.355 -3.907 -90.228 1.00 88.52 ? 30 TYR O C 1 +ATOM 19492 O O . TYR M 13 28 ? 55.344 -3.223 -89.990 1.00 85.93 ? 30 TYR O O 1 +ATOM 19493 C CB . TYR M 13 28 ? 56.033 -5.543 -88.362 1.00 84.81 ? 30 TYR O CB 1 +ATOM 19494 C CG . TYR M 13 28 ? 55.467 -6.635 -89.239 1.00 82.83 ? 30 TYR O CG 1 +ATOM 19495 C CD1 . TYR M 13 28 ? 56.201 -7.789 -89.493 1.00 67.55 ? 30 TYR O CD1 1 +ATOM 19496 C CD2 . TYR M 13 28 ? 54.206 -6.505 -89.827 1.00 65.05 ? 30 TYR O CD2 1 +ATOM 19497 C CE1 . TYR M 13 28 ? 55.699 -8.789 -90.298 1.00 71.35 ? 30 TYR O CE1 1 +ATOM 19498 C CE2 . TYR M 13 28 ? 53.692 -7.503 -90.634 1.00 71.09 ? 30 TYR O CE2 1 +ATOM 19499 C CZ . TYR M 13 28 ? 54.445 -8.645 -90.867 1.00 81.87 ? 30 TYR O CZ 1 +ATOM 19500 O OH . TYR M 13 28 ? 53.951 -9.649 -91.669 1.00 79.67 ? 30 TYR O OH 1 +ATOM 19501 N N . PRO M 13 29 ? 56.846 -4.021 -91.464 1.00 99.78 ? 31 PRO O N 1 +ATOM 19502 C CA . PRO M 13 29 ? 56.344 -3.171 -92.548 1.00 80.04 ? 31 PRO O CA 1 +ATOM 19503 C C . PRO M 13 29 ? 54.991 -3.656 -93.046 1.00 86.05 ? 31 PRO O C 1 +ATOM 19504 O O . PRO M 13 29 ? 54.785 -4.851 -93.281 1.00 85.57 ? 31 PRO O O 1 +ATOM 19505 C CB . PRO M 13 29 ? 57.420 -3.310 -93.627 1.00 94.76 ? 31 PRO O CB 1 +ATOM 19506 C CG . PRO M 13 29 ? 57.941 -4.698 -93.426 1.00 88.36 ? 31 PRO O CG 1 +ATOM 19507 C CD . PRO M 13 29 ? 57.878 -4.960 -91.936 1.00 106.14 ? 31 PRO O CD 1 +ATOM 19508 N N . ILE M 13 30 ? 54.073 -2.710 -93.210 1.00 87.31 ? 32 ILE O N 1 +ATOM 19509 C CA . ILE M 13 30 ? 52.744 -2.968 -93.742 1.00 87.47 ? 32 ILE O CA 1 +ATOM 19510 C C . ILE M 13 30 ? 52.739 -2.564 -95.207 1.00 103.89 ? 32 ILE O C 1 +ATOM 19511 O O . ILE M 13 30 ? 53.073 -1.421 -95.545 1.00 113.98 ? 32 ILE O O 1 +ATOM 19512 C CB . ILE M 13 30 ? 51.669 -2.201 -92.957 1.00 85.07 ? 32 ILE O CB 1 +ATOM 19513 C CG1 . ILE M 13 30 ? 51.695 -2.623 -91.485 1.00 91.89 ? 32 ILE O CG1 1 +ATOM 19514 C CG2 . ILE M 13 30 ? 50.288 -2.406 -93.588 1.00 80.41 ? 32 ILE O CG2 1 +ATOM 19515 C CD1 . ILE M 13 30 ? 51.602 -4.124 -91.275 1.00 78.28 ? 32 ILE O CD1 1 +ATOM 19516 N N . ASP M 13 31 ? 52.368 -3.498 -96.073 1.00 88.35 ? 33 ASP O N 1 +ATOM 19517 C CA . ASP M 13 31 ? 52.183 -3.235 -97.492 1.00 81.69 ? 33 ASP O CA 1 +ATOM 19518 C C . ASP M 13 31 ? 50.690 -3.048 -97.739 1.00 93.40 ? 33 ASP O C 1 +ATOM 19519 O O . ASP M 13 31 ? 49.929 -4.017 -97.723 1.00 93.50 ? 33 ASP O O 1 +ATOM 19520 C CB . ASP M 13 31 ? 52.748 -4.377 -98.332 1.00 94.44 ? 33 ASP O CB 1 +ATOM 19521 C CG . ASP M 13 31 ? 52.568 -4.154 -99.822 1.00 98.30 ? 33 ASP O CG 1 +ATOM 19522 O OD1 . ASP M 13 31 ? 52.102 -3.062 -100.224 1.00 89.97 ? 33 ASP O OD1 1 +ATOM 19523 O OD2 . ASP M 13 31 ? 52.889 -5.083 -100.595 1.00 112.05 ? 33 ASP O OD2 1 +ATOM 19524 N N . SER M 13 32 ? 50.277 -1.804 -97.996 1.00 103.75 ? 34 SER O N 1 +ATOM 19525 C CA . SER M 13 32 ? 48.856 -1.495 -98.135 1.00 102.25 ? 34 SER O CA 1 +ATOM 19526 C C . SER M 13 32 ? 48.183 -2.267 -99.262 1.00 98.19 ? 34 SER O C 1 +ATOM 19527 O O . SER M 13 32 ? 46.950 -2.261 -99.344 1.00 105.57 ? 34 SER O O 1 +ATOM 19528 C CB . SER M 13 32 ? 48.667 0.011 -98.339 1.00 113.09 ? 34 SER O CB 1 +ATOM 19529 O OG . SER M 13 32 ? 49.700 0.556 -99.142 1.00 125.60 ? 34 SER O OG 1 +ATOM 19530 N N . SER M 13 33 ? 48.945 -2.926 -100.125 1.00 88.98 ? 35 SER O N 1 +ATOM 19531 C CA . SER M 13 33 ? 48.369 -3.788 -101.144 1.00 96.00 ? 35 SER O CA 1 +ATOM 19532 C C . SER M 13 33 ? 48.128 -5.197 -100.636 1.00 115.94 ? 35 SER O C 1 +ATOM 19533 O O . SER M 13 33 ? 47.510 -6.006 -101.341 1.00 104.26 ? 35 SER O O 1 +ATOM 19534 C CB . SER M 13 33 ? 49.290 -3.844 -102.364 1.00 106.65 ? 35 SER O CB 1 +ATOM 19535 O OG . SER M 13 33 ? 50.560 -4.365 -102.007 1.00 83.14 ? 35 SER O OG 1 +ATOM 19536 N N . GLN M 13 34 ? 48.604 -5.501 -99.436 1.00 115.71 ? 36 GLN O N 1 +ATOM 19537 C CA . GLN M 13 34 ? 48.600 -6.846 -98.890 1.00 109.42 ? 36 GLN O CA 1 +ATOM 19538 C C . GLN M 13 34 ? 47.497 -6.972 -97.847 1.00 95.68 ? 36 GLN O C 1 +ATOM 19539 O O . GLN M 13 34 ? 47.225 -6.028 -97.099 1.00 94.49 ? 36 GLN O O 1 +ATOM 19540 C CB . GLN M 13 34 ? 49.969 -7.158 -98.275 1.00 98.91 ? 36 GLN O CB 1 +ATOM 19541 C CG . GLN M 13 34 ? 50.135 -8.564 -97.778 1.00 108.38 ? 36 GLN O CG 1 +ATOM 19542 C CD . GLN M 13 34 ? 50.109 -9.569 -98.901 1.00 114.12 ? 36 GLN O CD 1 +ATOM 19543 O OE1 . GLN M 13 34 ? 50.713 -9.351 -99.956 1.00 128.61 ? 36 GLN O OE1 1 +ATOM 19544 N NE2 . GLN M 13 34 ? 49.400 -10.676 -98.689 1.00 90.43 ? 36 GLN O NE2 1 +ATOM 19545 N N . THR M 13 35 ? 46.840 -8.128 -97.824 1.00 111.73 ? 37 THR O N 1 +ATOM 19546 C CA . THR M 13 35 ? 45.872 -8.440 -96.782 1.00 96.78 ? 37 THR O CA 1 +ATOM 19547 C C . THR M 13 35 ? 46.570 -9.206 -95.668 1.00 91.33 ? 37 THR O C 1 +ATOM 19548 O O . THR M 13 35 ? 47.258 -10.203 -95.915 1.00 83.64 ? 37 THR O O 1 +ATOM 19549 C CB . THR M 13 35 ? 44.697 -9.249 -97.331 1.00 95.28 ? 37 THR O CB 1 +ATOM 19550 O OG1 . THR M 13 35 ? 45.178 -10.230 -98.259 1.00 98.77 ? 37 THR O OG1 1 +ATOM 19551 C CG2 . THR M 13 35 ? 43.690 -8.325 -98.015 1.00 87.76 ? 37 THR O CG2 1 +ATOM 19552 N N . TYR M 13 36 ? 46.404 -8.729 -94.448 1.00 77.32 ? 38 TYR O N 1 +ATOM 19553 C CA . TYR M 13 36 ? 47.106 -9.293 -93.315 1.00 75.17 ? 38 TYR O CA 1 +ATOM 19554 C C . TYR M 13 36 ? 46.126 -9.924 -92.342 1.00 85.31 ? 38 TYR O C 1 +ATOM 19555 O O . TYR M 13 36 ? 44.940 -9.577 -92.290 1.00 71.76 ? 38 TYR O O 1 +ATOM 19556 C CB . TYR M 13 36 ? 47.924 -8.232 -92.591 1.00 61.84 ? 38 TYR O CB 1 +ATOM 19557 C CG . TYR M 13 36 ? 49.125 -7.766 -93.357 1.00 80.76 ? 38 TYR O CG 1 +ATOM 19558 C CD1 . TYR M 13 36 ? 49.031 -6.705 -94.256 1.00 67.67 ? 38 TYR O CD1 1 +ATOM 19559 C CD2 . TYR M 13 36 ? 50.361 -8.370 -93.166 1.00 71.90 ? 38 TYR O CD2 1 +ATOM 19560 C CE1 . TYR M 13 36 ? 50.136 -6.263 -94.942 1.00 82.48 ? 38 TYR O CE1 1 +ATOM 19561 C CE2 . TYR M 13 36 ? 51.468 -7.940 -93.848 1.00 100.24 ? 38 TYR O CE2 1 +ATOM 19562 C CZ . TYR M 13 36 ? 51.351 -6.885 -94.740 1.00 91.90 ? 38 TYR O CZ 1 +ATOM 19563 O OH . TYR M 13 36 ? 52.462 -6.464 -95.425 1.00 99.23 ? 38 TYR O OH 1 +ATOM 19564 N N A ARG M 13 37 ? 46.638 -10.849 -91.547 0.50 66.92 ? 39 ARG O N 1 +ATOM 19565 N N B ARG M 13 37 ? 46.649 -10.881 -91.578 0.50 66.94 ? 39 ARG O N 1 +ATOM 19566 C CA A ARG M 13 37 ? 45.798 -11.493 -90.546 0.50 72.77 ? 39 ARG O CA 1 +ATOM 19567 C CA B ARG M 13 37 ? 45.920 -11.536 -90.507 0.50 72.89 ? 39 ARG O CA 1 +ATOM 19568 C C A ARG M 13 37 ? 46.575 -11.656 -89.248 0.50 68.02 ? 39 ARG O C 1 +ATOM 19569 C C B ARG M 13 37 ? 46.651 -11.359 -89.187 0.50 67.58 ? 39 ARG O C 1 +ATOM 19570 O O A ARG M 13 37 ? 47.769 -11.973 -89.267 0.50 74.09 ? 39 ARG O O 1 +ATOM 19571 O O B ARG M 13 37 ? 47.870 -11.155 -89.134 0.50 61.81 ? 39 ARG O O 1 +ATOM 19572 C CB A ARG M 13 37 ? 45.304 -12.864 -91.033 0.50 74.30 ? 39 ARG O CB 1 +ATOM 19573 C CB B ARG M 13 37 ? 45.743 -13.048 -90.757 0.50 68.18 ? 39 ARG O CB 1 +ATOM 19574 C CG A ARG M 13 37 ? 44.109 -13.402 -90.266 0.50 77.50 ? 39 ARG O CG 1 +ATOM 19575 C CG B ARG M 13 37 ? 44.352 -13.471 -91.212 0.50 80.47 ? 39 ARG O CG 1 +ATOM 19576 C CD A ARG M 13 37 ? 43.572 -14.702 -90.865 0.50 85.21 ? 39 ARG O CD 1 +ATOM 19577 C CD B ARG M 13 37 ? 43.967 -14.838 -90.626 0.50 84.29 ? 39 ARG O CD 1 +ATOM 19578 N NE A ARG M 13 37 ? 42.359 -15.134 -90.181 0.50 70.09 ? 39 ARG O NE 1 +ATOM 19579 N NE B ARG M 13 37 ? 45.095 -15.762 -90.588 0.50 70.54 ? 39 ARG O NE 1 +ATOM 19580 C CZ A ARG M 13 37 ? 41.144 -14.685 -90.462 0.50 74.41 ? 39 ARG O CZ 1 +ATOM 19581 C CZ B ARG M 13 37 ? 45.145 -16.854 -89.840 0.50 69.91 ? 39 ARG O CZ 1 +ATOM 19582 N NH1 A ARG M 13 37 ? 40.936 -13.818 -91.440 0.50 67.65 ? 39 ARG O NH1 1 +ATOM 19583 N NH1 B ARG M 13 37 ? 46.227 -17.611 -89.796 0.50 73.66 ? 39 ARG O NH1 1 +ATOM 19584 N NH2 A ARG M 13 37 ? 40.111 -15.112 -89.741 0.50 73.64 ? 39 ARG O NH2 1 +ATOM 19585 N NH2 B ARG M 13 37 ? 44.086 -17.190 -89.107 0.50 81.01 ? 39 ARG O NH2 1 +ATOM 19586 N N . ILE M 13 38 ? 45.884 -11.442 -88.119 1.00 67.84 ? 40 ILE O N 1 +ATOM 19587 C CA . ILE M 13 38 ? 46.413 -11.752 -86.789 1.00 64.81 ? 40 ILE O CA 1 +ATOM 19588 C C . ILE M 13 38 ? 46.130 -13.232 -86.551 1.00 61.56 ? 40 ILE O C 1 +ATOM 19589 O O . ILE M 13 38 ? 44.968 -13.648 -86.490 1.00 64.08 ? 40 ILE O O 1 +ATOM 19590 C CB . ILE M 13 38 ? 45.783 -10.886 -85.692 1.00 63.78 ? 40 ILE O CB 1 +ATOM 19591 C CG1 . ILE M 13 38 ? 46.373 -9.471 -85.724 1.00 65.10 ? 40 ILE O CG1 1 +ATOM 19592 C CG2 . ILE M 13 38 ? 45.994 -11.528 -84.310 1.00 64.37 ? 40 ILE O CG2 1 +ATOM 19593 C CD1 . ILE M 13 38 ? 45.982 -8.623 -84.559 1.00 62.95 ? 40 ILE O CD1 1 +ATOM 19594 N N . ALA M 13 39 ? 47.185 -14.044 -86.472 1.00 69.10 ? 41 ALA O N 1 +ATOM 19595 C CA . ALA M 13 39 ? 46.995 -15.491 -86.364 1.00 71.43 ? 41 ALA O CA 1 +ATOM 19596 C C . ALA M 13 39 ? 46.777 -15.938 -84.920 1.00 81.12 ? 41 ALA O C 1 +ATOM 19597 O O . ALA M 13 39 ? 46.139 -16.970 -84.685 1.00 64.03 ? 41 ALA O O 1 +ATOM 19598 C CB . ALA M 13 39 ? 48.196 -16.236 -86.954 1.00 64.32 ? 41 ALA O CB 1 +ATOM 19599 N N . ARG M 13 40 ? 47.320 -15.203 -83.953 1.00 61.13 ? 42 ARG O N 1 +ATOM 19600 C CA . ARG M 13 40 ? 47.161 -15.550 -82.547 1.00 60.94 ? 42 ARG O CA 1 +ATOM 19601 C C . ARG M 13 40 ? 47.270 -14.279 -81.723 1.00 63.62 ? 42 ARG O C 1 +ATOM 19602 O O . ARG M 13 40 ? 48.321 -13.633 -81.720 1.00 65.57 ? 42 ARG O O 1 +ATOM 19603 C CB . ARG M 13 40 ? 48.214 -16.568 -82.093 1.00 55.26 ? 42 ARG O CB 1 +ATOM 19604 C CG . ARG M 13 40 ? 48.104 -16.913 -80.610 1.00 59.48 ? 42 ARG O CG 1 +ATOM 19605 C CD . ARG M 13 40 ? 49.284 -17.732 -80.131 1.00 57.83 ? 42 ARG O CD 1 +ATOM 19606 N NE . ARG M 13 40 ? 49.169 -18.050 -78.718 1.00 60.77 ? 42 ARG O NE 1 +ATOM 19607 C CZ . ARG M 13 40 ? 50.124 -18.619 -78.000 1.00 58.33 ? 42 ARG O CZ 1 +ATOM 19608 N NH1 . ARG M 13 40 ? 51.294 -18.918 -78.529 1.00 68.47 ? 42 ARG O NH1 1 +ATOM 19609 N NH2 . ARG M 13 40 ? 49.892 -18.909 -76.725 1.00 62.64 ? 42 ARG O NH2 1 +ATOM 19610 N N . LEU M 13 41 ? 46.181 -13.914 -81.059 1.00 61.93 ? 43 LEU O N 1 +ATOM 19611 C CA . LEU M 13 41 ? 46.171 -12.866 -80.057 1.00 59.45 ? 43 LEU O CA 1 +ATOM 19612 C C . LEU M 13 41 ? 45.959 -13.505 -78.687 1.00 66.18 ? 43 LEU O C 1 +ATOM 19613 O O . LEU M 13 41 ? 45.031 -14.302 -78.500 1.00 57.29 ? 43 LEU O O 1 +ATOM 19614 C CB . LEU M 13 41 ? 45.080 -11.838 -80.361 1.00 54.94 ? 43 LEU O CB 1 +ATOM 19615 C CG . LEU M 13 41 ? 44.900 -10.728 -79.327 1.00 59.10 ? 43 LEU O CG 1 +ATOM 19616 C CD1 . LEU M 13 41 ? 46.227 -10.018 -79.020 1.00 55.46 ? 43 LEU O CD1 1 +ATOM 19617 C CD2 . LEU M 13 41 ? 43.854 -9.749 -79.816 1.00 55.10 ? 43 LEU O CD2 1 +ATOM 19618 N N . CYS M 13 42 ? 46.840 -13.171 -77.747 1.00 60.83 ? 44 CYS O N 1 +ATOM 19619 C CA . CYS M 13 42 ? 46.857 -13.706 -76.395 1.00 55.81 ? 44 CYS O CA 1 +ATOM 19620 C C . CYS M 13 42 ? 46.844 -12.529 -75.424 1.00 71.48 ? 44 CYS O C 1 +ATOM 19621 O O . CYS M 13 42 ? 47.651 -11.607 -75.566 1.00 59.50 ? 44 CYS O O 1 +ATOM 19622 C CB . CYS M 13 42 ? 48.103 -14.568 -76.181 1.00 55.35 ? 44 CYS O CB 1 +ATOM 19623 S SG . CYS M 13 42 ? 48.228 -15.414 -74.554 1.00 58.17 ? 44 CYS O SG 1 +ATOM 19624 N N . LEU M 13 43 ? 45.927 -12.546 -74.453 1.00 62.53 ? 45 LEU O N 1 +ATOM 19625 C CA . LEU M 13 43 ? 45.859 -11.520 -73.415 1.00 60.01 ? 45 LEU O CA 1 +ATOM 19626 C C . LEU M 13 43 ? 45.975 -12.197 -72.061 1.00 61.28 ? 45 LEU O C 1 +ATOM 19627 O O . LEU M 13 43 ? 45.156 -13.059 -71.720 1.00 57.00 ? 45 LEU O O 1 +ATOM 19628 C CB . LEU M 13 43 ? 44.566 -10.704 -73.489 1.00 62.50 ? 45 LEU O CB 1 +ATOM 19629 C CG . LEU M 13 43 ? 44.399 -9.804 -74.723 1.00 68.21 ? 45 LEU O CG 1 +ATOM 19630 C CD1 . LEU M 13 43 ? 43.698 -10.552 -75.830 1.00 61.42 ? 45 LEU O CD1 1 +ATOM 19631 C CD2 . LEU M 13 43 ? 43.648 -8.521 -74.393 1.00 61.21 ? 45 LEU O CD2 1 +ATOM 19632 N N . GLN M 13 44 ? 46.987 -11.805 -71.295 1.00 56.60 ? 46 GLN O N 1 +ATOM 19633 C CA . GLN M 13 44 ? 47.217 -12.360 -69.968 1.00 55.32 ? 46 GLN O CA 1 +ATOM 19634 C C . GLN M 13 44 ? 46.989 -11.271 -68.931 1.00 56.31 ? 46 GLN O C 1 +ATOM 19635 O O . GLN M 13 44 ? 47.820 -10.358 -68.809 1.00 60.97 ? 46 GLN O O 1 +ATOM 19636 C CB . GLN M 13 44 ? 48.635 -12.915 -69.859 1.00 51.04 ? 46 GLN O CB 1 +ATOM 19637 C CG . GLN M 13 44 ? 49.012 -13.343 -68.471 1.00 55.66 ? 46 GLN O CG 1 +ATOM 19638 C CD . GLN M 13 44 ? 50.498 -13.593 -68.323 1.00 67.44 ? 46 GLN O CD 1 +ATOM 19639 O OE1 . GLN M 13 44 ? 51.189 -13.927 -69.285 1.00 62.64 ? 46 GLN O OE1 1 +ATOM 19640 N NE2 . GLN M 13 44 ? 51.000 -13.422 -67.106 1.00 69.74 ? 46 GLN O NE2 1 +ATOM 19641 N N . PRO M 13 45 ? 45.898 -11.310 -68.168 1.00 71.50 ? 47 PRO O N 1 +ATOM 19642 C CA . PRO M 13 45 ? 45.690 -10.279 -67.135 1.00 63.67 ? 47 PRO O CA 1 +ATOM 19643 C C . PRO M 13 45 ? 46.630 -10.468 -65.951 1.00 62.51 ? 47 PRO O C 1 +ATOM 19644 O O . PRO M 13 45 ? 46.910 -11.589 -65.519 1.00 63.83 ? 47 PRO O O 1 +ATOM 19645 C CB . PRO M 13 45 ? 44.226 -10.473 -66.721 1.00 56.00 ? 47 PRO O CB 1 +ATOM 19646 C CG . PRO M 13 45 ? 43.901 -11.885 -67.102 1.00 56.99 ? 47 PRO O CG 1 +ATOM 19647 C CD . PRO M 13 45 ? 44.780 -12.270 -68.257 1.00 51.27 ? 47 PRO O CD 1 +ATOM 19648 N N . THR M 13 46 ? 47.126 -9.356 -65.422 1.00 58.88 ? 48 THR O N 1 +ATOM 19649 C CA . THR M 13 46 ? 47.928 -9.418 -64.209 1.00 55.89 ? 48 THR O CA 1 +ATOM 19650 C C . THR M 13 46 ? 47.292 -8.748 -63.008 1.00 57.46 ? 48 THR O C 1 +ATOM 19651 O O . THR M 13 46 ? 47.663 -9.079 -61.885 1.00 64.86 ? 48 THR O O 1 +ATOM 19652 C CB . THR M 13 46 ? 49.314 -8.791 -64.427 1.00 59.21 ? 48 THR O CB 1 +ATOM 19653 O OG1 . THR M 13 46 ? 49.155 -7.428 -64.848 1.00 64.49 ? 48 THR O OG1 1 +ATOM 19654 C CG2 . THR M 13 46 ? 50.097 -9.580 -65.476 1.00 57.55 ? 48 THR O CG2 1 +ATOM 19655 N N . THR M 13 47 ? 46.394 -7.794 -63.196 1.00 56.66 ? 49 THR O N 1 +ATOM 19656 C CA . THR M 13 47 ? 45.801 -7.117 -62.055 1.00 73.59 ? 49 THR O CA 1 +ATOM 19657 C C . THR M 13 47 ? 44.351 -6.803 -62.376 1.00 61.62 ? 49 THR O C 1 +ATOM 19658 O O . THR M 13 47 ? 44.024 -6.450 -63.507 1.00 57.82 ? 49 THR O O 1 +ATOM 19659 C CB . THR M 13 47 ? 46.545 -5.801 -61.667 1.00 72.02 ? 49 THR O CB 1 +ATOM 19660 O OG1 . THR M 13 47 ? 45.829 -4.671 -62.177 1.00 77.97 ? 49 THR O OG1 1 +ATOM 19661 C CG2 . THR M 13 47 ? 47.979 -5.761 -62.205 1.00 68.50 ? 49 THR O CG2 1 +ATOM 19662 N N . PHE M 13 48 ? 43.487 -6.925 -61.375 1.00 54.06 ? 50 PHE O N 1 +ATOM 19663 C CA . PHE M 13 48 ? 42.067 -6.637 -61.525 1.00 66.43 ? 50 PHE O CA 1 +ATOM 19664 C C . PHE M 13 48 ? 41.692 -5.558 -60.523 1.00 61.15 ? 50 PHE O C 1 +ATOM 19665 O O . PHE M 13 48 ? 41.895 -5.737 -59.318 1.00 58.75 ? 50 PHE O O 1 +ATOM 19666 C CB . PHE M 13 48 ? 41.224 -7.901 -61.289 1.00 58.65 ? 50 PHE O CB 1 +ATOM 19667 C CG . PHE M 13 48 ? 41.367 -8.943 -62.355 1.00 54.01 ? 50 PHE O CG 1 +ATOM 19668 C CD1 . PHE M 13 48 ? 42.356 -9.915 -62.269 1.00 59.18 ? 50 PHE O CD1 1 +ATOM 19669 C CD2 . PHE M 13 48 ? 40.499 -8.968 -63.424 1.00 48.08 ? 50 PHE O CD2 1 +ATOM 19670 C CE1 . PHE M 13 48 ? 42.462 -10.909 -63.252 1.00 56.12 ? 50 PHE O CE1 1 +ATOM 19671 C CE2 . PHE M 13 48 ? 40.601 -9.944 -64.391 1.00 54.03 ? 50 PHE O CE2 1 +ATOM 19672 C CZ . PHE M 13 48 ? 41.583 -10.913 -64.308 1.00 54.07 ? 50 PHE O CZ 1 +ATOM 19673 N N . LEU M 13 49 ? 41.136 -4.454 -61.010 1.00 57.82 ? 51 LEU O N 1 +ATOM 19674 C CA . LEU M 13 49 ? 40.787 -3.344 -60.146 1.00 58.09 ? 51 LEU O CA 1 +ATOM 19675 C C . LEU M 13 49 ? 39.299 -3.071 -60.259 1.00 62.28 ? 51 LEU O C 1 +ATOM 19676 O O . LEU M 13 49 ? 38.737 -3.064 -61.359 1.00 60.46 ? 51 LEU O O 1 +ATOM 19677 C CB . LEU M 13 49 ? 41.589 -2.083 -60.502 1.00 67.34 ? 51 LEU O CB 1 +ATOM 19678 C CG . LEU M 13 49 ? 43.100 -2.283 -60.579 1.00 61.42 ? 51 LEU O CG 1 +ATOM 19679 C CD1 . LEU M 13 49 ? 43.702 -1.139 -61.355 1.00 81.42 ? 51 LEU O CD1 1 +ATOM 19680 C CD2 . LEU M 13 49 ? 43.694 -2.348 -59.186 1.00 63.42 ? 51 LEU O CD2 1 +ATOM 19681 N N . VAL M 13 50 ? 38.664 -2.867 -59.117 1.00 54.20 ? 52 VAL O N 1 +ATOM 19682 C CA . VAL M 13 50 ? 37.231 -2.638 -59.041 1.00 66.99 ? 52 VAL O CA 1 +ATOM 19683 C C . VAL M 13 50 ? 37.011 -1.227 -58.527 1.00 59.90 ? 52 VAL O C 1 +ATOM 19684 O O . VAL M 13 50 ? 37.675 -0.794 -57.581 1.00 62.84 ? 52 VAL O O 1 +ATOM 19685 C CB . VAL M 13 50 ? 36.553 -3.682 -58.129 1.00 64.22 ? 52 VAL O CB 1 +ATOM 19686 C CG1 . VAL M 13 50 ? 35.059 -3.430 -58.031 1.00 55.49 ? 52 VAL O CG1 1 +ATOM 19687 C CG2 . VAL M 13 50 ? 36.845 -5.079 -58.659 1.00 54.21 ? 52 VAL O CG2 1 +ATOM 19688 N N . LYS M 13 51 ? 36.103 -0.504 -59.172 1.00 63.77 ? 53 LYS O N 1 +ATOM 19689 C CA . LYS M 13 51 ? 35.802 0.856 -58.761 1.00 64.15 ? 53 LYS O CA 1 +ATOM 19690 C C . LYS M 13 51 ? 34.898 0.837 -57.539 1.00 73.30 ? 53 LYS O C 1 +ATOM 19691 O O . LYS M 13 51 ? 33.871 0.148 -57.526 1.00 74.44 ? 53 LYS O O 1 +ATOM 19692 C CB . LYS M 13 51 ? 35.134 1.630 -59.888 1.00 62.41 ? 53 LYS O CB 1 +ATOM 19693 C CG . LYS M 13 51 ? 35.022 3.112 -59.587 1.00 83.80 ? 53 LYS O CG 1 +ATOM 19694 C CD . LYS M 13 51 ? 34.195 3.844 -60.614 1.00 90.17 ? 53 LYS O CD 1 +ATOM 19695 C CE . LYS M 13 51 ? 34.905 3.894 -61.950 1.00 95.08 ? 53 LYS O CE 1 +ATOM 19696 N NZ . LYS M 13 51 ? 34.172 4.772 -62.907 1.00 133.28 ? 53 LYS O NZ 1 +ATOM 19697 N N . GLU M 13 52 ? 35.296 1.579 -56.509 1.00 87.87 ? 54 GLU O N 1 +ATOM 19698 C CA . GLU M 13 52 ? 34.459 1.769 -55.335 1.00 87.10 ? 54 GLU O CA 1 +ATOM 19699 C C . GLU M 13 52 ? 33.380 2.801 -55.641 1.00 107.47 ? 54 GLU O C 1 +ATOM 19700 O O . GLU M 13 52 ? 33.630 3.799 -56.325 1.00 105.39 ? 54 GLU O O 1 +ATOM 19701 C CB . GLU M 13 52 ? 35.307 2.219 -54.143 1.00 114.87 ? 54 GLU O CB 1 +ATOM 19702 C CG . GLU M 13 52 ? 35.982 3.583 -54.339 1.00 138.02 ? 54 GLU O CG 1 +ATOM 19703 C CD . GLU M 13 52 ? 36.688 4.108 -53.093 1.00 145.35 ? 54 GLU O CD 1 +ATOM 19704 O OE1 . GLU M 13 52 ? 37.036 3.297 -52.198 1.00 117.64 ? 54 GLU O OE1 1 +ATOM 19705 O OE2 . GLU M 13 52 ? 36.893 5.343 -53.020 1.00 146.24 ? 54 GLU O OE2 1 +ATOM 19706 N N . GLU M 13 53 ? 32.169 2.554 -55.141 1.00 131.00 ? 55 GLU O N 1 +ATOM 19707 C CA . GLU M 13 53 ? 31.069 3.484 -55.358 1.00 161.64 ? 55 GLU O CA 1 +ATOM 19708 C C . GLU M 13 53 ? 30.864 4.334 -54.111 1.00 166.21 ? 55 GLU O C 1 +ATOM 19709 O O . GLU M 13 53 ? 30.404 3.808 -53.084 1.00 150.95 ? 55 GLU O O 1 +ATOM 19710 C CB . GLU M 13 53 ? 29.785 2.733 -55.714 1.00 150.46 ? 55 GLU O CB 1 +ATOM 19711 C CG . GLU M 13 53 ? 29.978 1.248 -55.969 1.00 123.76 ? 55 GLU O CG 1 +ATOM 19712 C CD . GLU M 13 53 ? 29.913 0.435 -54.690 1.00 152.23 ? 55 GLU O CD 1 +ATOM 19713 O OE1 . GLU M 13 53 ? 28.870 0.490 -54.002 1.00 150.26 ? 55 GLU O OE1 1 +ATOM 19714 O OE2 . GLU M 13 53 ? 30.908 -0.250 -54.365 1.00 156.31 ? 55 GLU O OE2 1 +ATOM 19715 N N . PRO M 13 54 ? 31.180 5.630 -54.145 1.00 156.94 ? 56 PRO O N 1 +ATOM 19716 C CA . PRO M 13 54 ? 31.120 6.449 -52.926 1.00 152.30 ? 56 PRO O CA 1 +ATOM 19717 C C . PRO M 13 54 ? 29.687 6.701 -52.473 1.00 143.90 ? 56 PRO O C 1 +ATOM 19718 O O . PRO M 13 54 ? 28.714 6.465 -53.193 1.00 140.41 ? 56 PRO O O 1 +ATOM 19719 C CB . PRO M 13 54 ? 31.814 7.755 -53.336 1.00 147.75 ? 56 PRO O CB 1 +ATOM 19720 C CG . PRO M 13 54 ? 32.575 7.421 -54.595 1.00 152.77 ? 56 PRO O CG 1 +ATOM 19721 C CD . PRO M 13 54 ? 31.748 6.375 -55.279 1.00 146.64 ? 56 PRO O CD 1 +ATOM 19722 N N . LYS M 13 55 ? 29.573 7.211 -51.242 1.00 155.33 ? 57 LYS O N 1 +ATOM 19723 C CA . LYS M 13 55 ? 28.268 7.391 -50.611 1.00 138.53 ? 57 LYS O CA 1 +ATOM 19724 C C . LYS M 13 55 ? 27.576 8.670 -51.078 1.00 144.66 ? 57 LYS O C 1 +ATOM 19725 O O . LYS M 13 55 ? 26.387 8.648 -51.417 1.00 146.46 ? 57 LYS O O 1 +ATOM 19726 C CB . LYS M 13 55 ? 28.419 7.378 -49.086 1.00 113.74 ? 57 LYS O CB 1 +ATOM 19727 C CG . LYS M 13 55 ? 27.999 6.060 -48.446 1.00 104.25 ? 57 LYS O CG 1 +ATOM 19728 C CD . LYS M 13 55 ? 28.674 5.824 -47.094 1.00 100.68 ? 57 LYS O CD 1 +ATOM 19729 C CE . LYS M 13 55 ? 28.004 6.605 -45.951 1.00 110.89 ? 57 LYS O CE 1 +ATOM 19730 N NZ . LYS M 13 55 ? 28.531 6.248 -44.554 1.00 66.75 ? 57 LYS O NZ 1 +ATOM 19731 N N . ASN M 13 56 ? 28.291 9.795 -51.107 1.00 146.75 ? 58 ASN O N 1 +ATOM 19732 C CA . ASN M 13 56 ? 27.655 11.045 -51.512 1.00 156.51 ? 58 ASN O CA 1 +ATOM 19733 C C . ASN M 13 56 ? 27.655 11.262 -53.020 1.00 170.94 ? 58 ASN O C 1 +ATOM 19734 O O . ASN M 13 56 ? 27.054 12.243 -53.488 1.00 173.29 ? 58 ASN O O 1 +ATOM 19735 C CB . ASN M 13 56 ? 28.339 12.237 -50.831 1.00 140.76 ? 58 ASN O CB 1 +ATOM 19736 C CG . ASN M 13 56 ? 29.835 12.245 -51.047 1.00 151.42 ? 58 ASN O CG 1 +ATOM 19737 O OD1 . ASN M 13 56 ? 30.473 11.193 -51.097 1.00 156.19 ? 58 ASN O OD1 1 +ATOM 19738 N ND2 . ASN M 13 56 ? 30.406 13.438 -51.180 1.00 165.50 ? 58 ASN O ND2 1 +ATOM 19739 N N . LYS M 13 57 ? 28.296 10.378 -53.789 1.00 144.70 ? 59 LYS O N 1 +ATOM 19740 C CA . LYS M 13 57 ? 28.484 10.495 -55.237 1.00 155.94 ? 59 LYS O CA 1 +ATOM 19741 C C . LYS M 13 57 ? 29.143 11.811 -55.651 1.00 167.09 ? 59 LYS O C 1 +ATOM 19742 O O . LYS M 13 57 ? 29.140 12.157 -56.839 1.00 164.44 ? 59 LYS O O 1 +ATOM 19743 C CB . LYS M 13 57 ? 27.169 10.286 -56.013 1.00 151.63 ? 59 LYS O CB 1 +ATOM 19744 C CG . LYS M 13 57 ? 26.391 9.005 -55.658 1.00 141.75 ? 59 LYS O CG 1 +ATOM 19745 C CD . LYS M 13 57 ? 25.372 9.255 -54.555 1.00 146.19 ? 59 LYS O CD 1 +ATOM 19746 C CE . LYS M 13 57 ? 24.557 8.003 -54.269 1.00 135.42 ? 59 LYS O CE 1 +ATOM 19747 N NZ . LYS M 13 57 ? 25.404 6.888 -53.769 1.00 138.38 ? 59 LYS O NZ 1 +ATOM 19748 N N . ARG M 13 58 ? 29.704 12.562 -54.698 1.00 177.76 ? 60 ARG O N 1 +ATOM 19749 C CA . ARG M 13 58 ? 30.458 13.776 -54.975 1.00 174.11 ? 60 ARG O CA 1 +ATOM 19750 C C . ARG M 13 58 ? 31.908 13.703 -54.519 1.00 174.49 ? 60 ARG O C 1 +ATOM 19751 O O . ARG M 13 58 ? 32.723 14.511 -54.980 1.00 163.10 ? 60 ARG O O 1 +ATOM 19752 C CB . ARG M 13 58 ? 29.784 14.995 -54.319 1.00 175.56 ? 60 ARG O CB 1 +ATOM 19753 C CG . ARG M 13 58 ? 28.323 15.143 -54.743 1.00 180.23 ? 60 ARG O CG 1 +ATOM 19754 C CD . ARG M 13 58 ? 27.526 16.104 -53.861 1.00 177.33 ? 60 ARG O CD 1 +ATOM 19755 N NE . ARG M 13 58 ? 27.681 17.504 -54.252 1.00 192.85 ? 60 ARG O NE 1 +ATOM 19756 C CZ . ARG M 13 58 ? 26.876 18.152 -55.088 1.00 185.32 ? 60 ARG O CZ 1 +ATOM 19757 N NH1 . ARG M 13 58 ? 25.854 17.547 -55.676 1.00 181.99 ? 60 ARG O NH1 1 +ATOM 19758 N NH2 . ARG M 13 58 ? 27.102 19.441 -55.337 1.00 153.72 ? 60 ARG O NH2 1 +ATOM 19759 N N . GLN M 13 59 ? 32.242 12.790 -53.610 1.00 173.39 ? 61 GLN O N 1 +ATOM 19760 C CA . GLN M 13 59 ? 33.611 12.321 -53.462 1.00 178.06 ? 61 GLN O CA 1 +ATOM 19761 C C . GLN M 13 59 ? 34.057 11.644 -54.757 1.00 187.40 ? 61 GLN O C 1 +ATOM 19762 O O . GLN M 13 59 ? 33.244 11.276 -55.608 1.00 184.89 ? 61 GLN O O 1 +ATOM 19763 C CB . GLN M 13 59 ? 33.721 11.334 -52.294 1.00 165.45 ? 61 GLN O CB 1 +ATOM 19764 C CG . GLN M 13 59 ? 33.562 11.936 -50.894 1.00 186.05 ? 61 GLN O CG 1 +ATOM 19765 C CD . GLN M 13 59 ? 33.425 10.868 -49.797 1.00 185.40 ? 61 GLN O CD 1 +ATOM 19766 O OE1 . GLN M 13 59 ? 33.119 9.704 -50.076 1.00 160.08 ? 61 GLN O OE1 1 +ATOM 19767 N NE2 . GLN M 13 59 ? 33.650 11.269 -48.543 1.00 149.95 ? 61 GLN O NE2 1 +ATOM 19768 N N . GLU M 13 60 ? 35.365 11.466 -54.899 1.00 196.62 ? 62 GLU O N 1 +ATOM 19769 C CA . GLU M 13 60 ? 35.891 10.800 -56.081 1.00 191.17 ? 62 GLU O CA 1 +ATOM 19770 C C . GLU M 13 60 ? 35.896 9.288 -55.882 1.00 185.34 ? 62 GLU O C 1 +ATOM 19771 O O . GLU M 13 60 ? 36.276 8.783 -54.819 1.00 187.57 ? 62 GLU O O 1 +ATOM 19772 C CB . GLU M 13 60 ? 37.302 11.298 -56.394 1.00 194.87 ? 62 GLU O CB 1 +ATOM 19773 C CG . GLU M 13 60 ? 37.967 10.572 -57.557 1.00 178.32 ? 62 GLU O CG 1 +ATOM 19774 C CD . GLU M 13 60 ? 37.222 10.753 -58.869 1.00 190.78 ? 62 GLU O CD 1 +ATOM 19775 O OE1 . GLU M 13 60 ? 37.330 11.842 -59.472 1.00 193.48 ? 62 GLU O OE1 1 +ATOM 19776 O OE2 . GLU M 13 60 ? 36.522 9.808 -59.293 1.00 174.94 ? 62 GLU O OE2 1 +ATOM 19777 N N . ALA M 13 61 ? 35.448 8.566 -56.909 1.00 136.73 ? 63 ALA O N 1 +ATOM 19778 C CA . ALA M 13 61 ? 35.479 7.110 -56.905 1.00 126.81 ? 63 ALA O CA 1 +ATOM 19779 C C . ALA M 13 61 ? 36.817 6.627 -57.447 1.00 110.20 ? 63 ALA O C 1 +ATOM 19780 O O . ALA M 13 61 ? 37.284 7.112 -58.482 1.00 118.99 ? 63 ALA O O 1 +ATOM 19781 C CB . ALA M 13 61 ? 34.334 6.544 -57.742 1.00 111.87 ? 63 ALA O CB 1 +ATOM 19782 N N . GLU M 13 62 ? 37.431 5.677 -56.750 1.00 103.21 ? 64 GLU O N 1 +ATOM 19783 C CA . GLU M 13 62 ? 38.721 5.148 -57.159 1.00 103.37 ? 64 GLU O CA 1 +ATOM 19784 C C . GLU M 13 62 ? 38.642 3.640 -57.347 1.00 75.99 ? 64 GLU O C 1 +ATOM 19785 O O . GLU M 13 62 ? 37.702 2.979 -56.897 1.00 74.04 ? 64 GLU O O 1 +ATOM 19786 C CB . GLU M 13 62 ? 39.815 5.498 -56.140 1.00 100.63 ? 64 GLU O CB 1 +ATOM 19787 C CG . GLU M 13 62 ? 40.118 6.992 -56.082 1.00 138.31 ? 64 GLU O CG 1 +ATOM 19788 C CD . GLU M 13 62 ? 41.597 7.287 -55.914 1.00 165.55 ? 64 GLU O CD 1 +ATOM 19789 O OE1 . GLU M 13 62 ? 42.307 6.430 -55.339 1.00 177.10 ? 64 GLU O OE1 1 +ATOM 19790 O OE2 . GLU M 13 62 ? 42.048 8.367 -56.363 1.00 131.40 ? 64 GLU O OE2 1 +ATOM 19791 N N . PHE M 13 63 ? 39.638 3.110 -58.043 1.00 78.74 ? 65 PHE O N 1 +ATOM 19792 C CA . PHE M 13 63 ? 39.752 1.679 -58.274 1.00 75.62 ? 65 PHE O CA 1 +ATOM 19793 C C . PHE M 13 63 ? 40.573 1.062 -57.154 1.00 70.03 ? 65 PHE O C 1 +ATOM 19794 O O . PHE M 13 63 ? 41.672 1.537 -56.857 1.00 84.19 ? 65 PHE O O 1 +ATOM 19795 C CB . PHE M 13 63 ? 40.405 1.393 -59.627 1.00 65.02 ? 65 PHE O CB 1 +ATOM 19796 C CG . PHE M 13 63 ? 39.510 1.661 -60.801 1.00 76.40 ? 65 PHE O CG 1 +ATOM 19797 C CD1 . PHE M 13 63 ? 38.781 0.637 -61.383 1.00 66.26 ? 65 PHE O CD1 1 +ATOM 19798 C CD2 . PHE M 13 63 ? 39.388 2.940 -61.319 1.00 79.83 ? 65 PHE O CD2 1 +ATOM 19799 C CE1 . PHE M 13 63 ? 37.948 0.879 -62.457 1.00 67.59 ? 65 PHE O CE1 1 +ATOM 19800 C CE2 . PHE M 13 63 ? 38.562 3.183 -62.396 1.00 77.85 ? 65 PHE O CE2 1 +ATOM 19801 C CZ . PHE M 13 63 ? 37.842 2.152 -62.966 1.00 73.54 ? 65 PHE O CZ 1 +ATOM 19802 N N . VAL M 13 64 ? 40.043 0.009 -56.542 1.00 65.11 ? 66 VAL O N 1 +ATOM 19803 C CA . VAL M 13 64 ? 40.740 -0.668 -55.453 1.00 64.37 ? 66 VAL O CA 1 +ATOM 19804 C C . VAL M 13 64 ? 41.307 -1.982 -55.979 1.00 70.99 ? 66 VAL O C 1 +ATOM 19805 O O . VAL M 13 64 ? 40.734 -2.583 -56.900 1.00 57.71 ? 66 VAL O O 1 +ATOM 19806 C CB . VAL M 13 64 ? 39.817 -0.889 -54.239 1.00 62.36 ? 66 VAL O CB 1 +ATOM 19807 C CG1 . VAL M 13 64 ? 39.286 0.445 -53.744 1.00 79.99 ? 66 VAL O CG1 1 +ATOM 19808 C CG2 . VAL M 13 64 ? 38.661 -1.801 -54.588 1.00 59.95 ? 66 VAL O CG2 1 +ATOM 19809 N N . PRO M 13 65 ? 42.416 -2.462 -55.431 1.00 70.48 ? 67 PRO O N 1 +ATOM 19810 C CA . PRO M 13 65 ? 42.929 -3.769 -55.831 1.00 74.92 ? 67 PRO O CA 1 +ATOM 19811 C C . PRO M 13 65 ? 42.087 -4.891 -55.233 1.00 64.32 ? 67 PRO O C 1 +ATOM 19812 O O . PRO M 13 65 ? 41.330 -4.709 -54.275 1.00 60.59 ? 67 PRO O O 1 +ATOM 19813 C CB . PRO M 13 65 ? 44.346 -3.769 -55.252 1.00 71.13 ? 67 PRO O CB 1 +ATOM 19814 C CG . PRO M 13 65 ? 44.170 -2.989 -53.950 1.00 81.09 ? 67 PRO O CG 1 +ATOM 19815 C CD . PRO M 13 65 ? 43.094 -1.954 -54.219 1.00 67.37 ? 67 PRO O CD 1 +ATOM 19816 N N . THR M 13 66 ? 42.226 -6.067 -55.836 1.00 70.53 ? 68 THR O N 1 +ATOM 19817 C CA . THR M 13 66 ? 41.445 -7.242 -55.476 1.00 60.32 ? 68 THR O CA 1 +ATOM 19818 C C . THR M 13 66 ? 42.346 -8.463 -55.539 1.00 60.77 ? 68 THR O C 1 +ATOM 19819 O O . THR M 13 66 ? 43.435 -8.438 -56.115 1.00 63.45 ? 68 THR O O 1 +ATOM 19820 C CB . THR M 13 66 ? 40.249 -7.446 -56.419 1.00 58.35 ? 68 THR O CB 1 +ATOM 19821 O OG1 . THR M 13 66 ? 40.735 -7.589 -57.761 1.00 58.72 ? 68 THR O OG1 1 +ATOM 19822 C CG2 . THR M 13 66 ? 39.271 -6.289 -56.357 1.00 51.34 ? 68 THR O CG2 1 +ATOM 19823 N N . LYS M 13 67 ? 41.864 -9.552 -54.967 1.00 54.48 ? 69 LYS O N 1 +ATOM 19824 C CA . LYS M 13 67 ? 42.593 -10.806 -54.919 1.00 57.44 ? 69 LYS O CA 1 +ATOM 19825 C C . LYS M 13 67 ? 41.859 -11.814 -55.791 1.00 56.96 ? 69 LYS O C 1 +ATOM 19826 O O . LYS M 13 67 ? 40.633 -11.935 -55.696 1.00 55.37 ? 69 LYS O O 1 +ATOM 19827 C CB . LYS M 13 67 ? 42.702 -11.284 -53.471 1.00 54.24 ? 69 LYS O CB 1 +ATOM 19828 C CG . LYS M 13 67 ? 43.881 -12.178 -53.214 1.00 83.63 ? 69 LYS O CG 1 +ATOM 19829 C CD . LYS M 13 67 ? 44.696 -11.698 -52.015 1.00 81.55 ? 69 LYS O CD 1 +ATOM 19830 C CE . LYS M 13 67 ? 43.832 -11.520 -50.795 1.00 76.09 ? 69 LYS O CE 1 +ATOM 19831 N NZ . LYS M 13 67 ? 44.647 -11.532 -49.549 1.00 94.01 ? 69 LYS O NZ 1 +ATOM 19832 N N . LEU M 13 68 ? 42.599 -12.492 -56.675 1.00 51.99 ? 70 LEU O N 1 +ATOM 19833 C CA . LEU M 13 68 ? 42.020 -13.488 -57.570 1.00 50.58 ? 70 LEU O CA 1 +ATOM 19834 C C . LEU M 13 68 ? 41.857 -14.820 -56.839 1.00 56.84 ? 70 LEU O C 1 +ATOM 19835 O O . LEU M 13 68 ? 42.807 -15.318 -56.220 1.00 54.75 ? 70 LEU O O 1 +ATOM 19836 C CB . LEU M 13 68 ? 42.903 -13.666 -58.811 1.00 52.23 ? 70 LEU O CB 1 +ATOM 19837 C CG . LEU M 13 68 ? 42.545 -14.744 -59.849 1.00 56.20 ? 70 LEU O CG 1 +ATOM 19838 C CD1 . LEU M 13 68 ? 41.309 -14.369 -60.680 1.00 48.32 ? 70 LEU O CD1 1 +ATOM 19839 C CD2 . LEU M 13 68 ? 43.747 -15.045 -60.750 1.00 51.53 ? 70 LEU O CD2 1 +ATOM 19840 N N . VAL M 13 69 ? 40.659 -15.408 -56.911 1.00 51.95 ? 71 VAL O N 1 +ATOM 19841 C CA . VAL M 13 69 ? 40.367 -16.633 -56.174 1.00 50.26 ? 71 VAL O CA 1 +ATOM 19842 C C . VAL M 13 69 ? 40.077 -17.815 -57.079 1.00 50.48 ? 71 VAL O C 1 +ATOM 19843 O O . VAL M 13 69 ? 39.875 -18.926 -56.580 1.00 49.81 ? 71 VAL O O 1 +ATOM 19844 C CB . VAL M 13 69 ? 39.212 -16.428 -55.167 1.00 49.23 ? 71 VAL O CB 1 +ATOM 19845 C CG1 . VAL M 13 69 ? 39.599 -15.358 -54.161 1.00 45.56 ? 71 VAL O CG1 1 +ATOM 19846 C CG2 . VAL M 13 69 ? 37.926 -16.037 -55.876 1.00 47.68 ? 71 VAL O CG2 1 +ATOM 19847 N N . THR M 13 70 ? 40.069 -17.627 -58.394 1.00 43.86 ? 72 THR O N 1 +ATOM 19848 C CA . THR M 13 70 ? 39.743 -18.711 -59.304 1.00 42.49 ? 72 THR O CA 1 +ATOM 19849 C C . THR M 13 70 ? 40.962 -19.216 -60.069 1.00 47.57 ? 72 THR O C 1 +ATOM 19850 O O . THR M 13 70 ? 40.805 -19.887 -61.094 1.00 49.35 ? 72 THR O O 1 +ATOM 19851 C CB . THR M 13 70 ? 38.616 -18.297 -60.251 1.00 45.14 ? 72 THR O CB 1 +ATOM 19852 O OG1 . THR M 13 70 ? 38.863 -16.982 -60.769 1.00 52.74 ? 72 THR O OG1 1 +ATOM 19853 C CG2 . THR M 13 70 ? 37.314 -18.276 -59.487 1.00 44.90 ? 72 THR O CG2 1 +ATOM 19854 N N A ARG M 13 71 ? 42.173 -18.900 -59.592 0.40 49.79 ? 73 ARG O N 1 +ATOM 19855 N N B ARG M 13 71 ? 42.170 -18.926 -59.579 0.60 49.82 ? 73 ARG O N 1 +ATOM 19856 C CA A ARG M 13 71 ? 43.390 -19.583 -60.031 0.40 47.55 ? 73 ARG O CA 1 +ATOM 19857 C CA B ARG M 13 71 ? 43.386 -19.606 -60.025 0.60 47.46 ? 73 ARG O CA 1 +ATOM 19858 C C A ARG M 13 71 ? 43.793 -19.231 -61.466 0.40 55.45 ? 73 ARG O C 1 +ATOM 19859 C C B ARG M 13 71 ? 43.768 -19.260 -61.467 0.60 55.55 ? 73 ARG O C 1 +ATOM 19860 O O A ARG M 13 71 ? 43.333 -18.222 -62.023 0.40 50.67 ? 73 ARG O O 1 +ATOM 19861 O O B ARG M 13 71 ? 43.268 -18.277 -62.033 0.60 50.77 ? 73 ARG O O 1 +ATOM 19862 C CB A ARG M 13 71 ? 43.216 -21.091 -59.814 0.40 48.44 ? 73 ARG O CB 1 +ATOM 19863 C CB B ARG M 13 71 ? 43.221 -21.114 -59.820 0.60 48.40 ? 73 ARG O CB 1 +ATOM 19864 C CG A ARG M 13 71 ? 42.791 -21.425 -58.327 0.40 48.32 ? 73 ARG O CG 1 +ATOM 19865 C CG B ARG M 13 71 ? 42.785 -21.454 -58.346 0.60 48.32 ? 73 ARG O CG 1 +ATOM 19866 C CD A ARG M 13 71 ? 42.676 -22.894 -58.059 0.40 45.88 ? 73 ARG O CD 1 +ATOM 19867 C CD B ARG M 13 71 ? 42.663 -22.928 -58.079 0.60 45.87 ? 73 ARG O CD 1 +ATOM 19868 N NE A ARG M 13 71 ? 43.981 -23.539 -57.966 0.40 50.46 ? 73 ARG O NE 1 +ATOM 19869 N NE B ARG M 13 71 ? 43.962 -23.581 -58.002 0.60 50.44 ? 73 ARG O NE 1 +ATOM 19870 C CZ A ARG M 13 71 ? 44.158 -24.847 -57.889 0.40 52.04 ? 73 ARG O CZ 1 +ATOM 19871 C CZ B ARG M 13 71 ? 44.134 -24.894 -57.909 0.60 52.09 ? 73 ARG O CZ 1 +ATOM 19872 N NH1 A ARG M 13 71 ? 43.135 -25.684 -57.933 0.40 51.75 ? 73 ARG O NH1 1 +ATOM 19873 N NH1 B ARG M 13 71 ? 43.104 -25.727 -57.907 0.60 51.81 ? 73 ARG O NH1 1 +ATOM 19874 N NH2 A ARG M 13 71 ? 45.392 -25.329 -57.784 0.40 55.39 ? 73 ARG O NH2 1 +ATOM 19875 N NH2 B ARG M 13 71 ? 45.367 -25.383 -57.829 0.60 55.48 ? 73 ARG O NH2 1 +ATOM 19876 N N . GLU M 13 72 ? 44.683 -20.036 -62.052 1.00 53.83 ? 74 GLU O N 1 +ATOM 19877 C CA . GLU M 13 72 ? 45.312 -19.714 -63.340 1.00 51.55 ? 74 GLU O CA 1 +ATOM 19878 C C . GLU M 13 72 ? 44.401 -20.031 -64.523 1.00 53.56 ? 74 GLU O C 1 +ATOM 19879 O O . GLU M 13 72 ? 44.700 -20.857 -65.383 1.00 52.02 ? 74 GLU O O 1 +ATOM 19880 C CB . GLU M 13 72 ? 46.626 -20.475 -63.476 1.00 50.81 ? 74 GLU O CB 1 +ATOM 19881 C CG . GLU M 13 72 ? 47.714 -19.991 -62.539 1.00 57.56 ? 74 GLU O CG 1 +ATOM 19882 C CD . GLU M 13 72 ? 48.050 -18.541 -62.795 1.00 67.63 ? 74 GLU O CD 1 +ATOM 19883 O OE1 . GLU M 13 72 ? 48.405 -18.190 -63.948 1.00 75.83 ? 74 GLU O OE1 1 +ATOM 19884 O OE2 . GLU M 13 72 ? 47.921 -17.749 -61.848 1.00 81.93 ? 74 GLU O OE2 1 +ATOM 19885 N N . THR M 13 73 ? 43.280 -19.345 -64.573 1.00 50.39 ? 75 THR O N 1 +ATOM 19886 C CA . THR M 13 73 ? 42.230 -19.699 -65.517 1.00 48.82 ? 75 THR O CA 1 +ATOM 19887 C C . THR M 13 73 ? 41.751 -18.475 -66.261 1.00 50.46 ? 75 THR O C 1 +ATOM 19888 O O . THR M 13 73 ? 40.599 -18.431 -66.687 1.00 55.00 ? 75 THR O O 1 +ATOM 19889 C CB . THR M 13 73 ? 41.041 -20.347 -64.805 1.00 51.53 ? 75 THR O CB 1 +ATOM 19890 O OG1 . THR M 13 73 ? 40.519 -19.429 -63.838 1.00 50.31 ? 75 THR O OG1 1 +ATOM 19891 C CG2 . THR M 13 73 ? 41.439 -21.662 -64.101 1.00 46.83 ? 75 THR O CG2 1 +ATOM 19892 N N . THR M 13 74 ? 42.624 -17.474 -66.424 1.00 48.96 ? 76 THR O N 1 +ATOM 19893 C CA . THR M 13 74 ? 42.184 -16.109 -66.703 1.00 53.48 ? 76 THR O CA 1 +ATOM 19894 C C . THR M 13 74 ? 42.491 -15.606 -68.107 1.00 55.56 ? 76 THR O C 1 +ATOM 19895 O O . THR M 13 74 ? 41.885 -14.611 -68.524 1.00 51.06 ? 76 THR O O 1 +ATOM 19896 C CB . THR M 13 74 ? 42.817 -15.125 -65.693 1.00 56.81 ? 76 THR O CB 1 +ATOM 19897 O OG1 . THR M 13 74 ? 44.246 -15.254 -65.715 1.00 52.85 ? 76 THR O OG1 1 +ATOM 19898 C CG2 . THR M 13 74 ? 42.335 -15.399 -64.267 1.00 45.84 ? 76 THR O CG2 1 +ATOM 19899 N N . SER M 13 75 ? 43.403 -16.246 -68.842 1.00 50.92 ? 77 SER O N 1 +ATOM 19900 C CA . SER M 13 75 ? 43.931 -15.665 -70.073 1.00 46.84 ? 77 SER O CA 1 +ATOM 19901 C C . SER M 13 75 ? 43.072 -16.003 -71.282 1.00 57.10 ? 77 SER O C 1 +ATOM 19902 O O . SER M 13 75 ? 42.540 -17.111 -71.406 1.00 53.93 ? 77 SER O O 1 +ATOM 19903 C CB . SER M 13 75 ? 45.366 -16.132 -70.319 1.00 52.24 ? 77 SER O CB 1 +ATOM 19904 O OG . SER M 13 75 ? 46.229 -15.684 -69.287 1.00 55.42 ? 77 SER O OG 1 +ATOM 19905 N N . LEU M 13 76 ? 42.941 -15.026 -72.172 1.00 54.18 ? 78 LEU O N 1 +ATOM 19906 C CA . LEU M 13 76 ? 42.363 -15.232 -73.491 1.00 59.77 ? 78 LEU O CA 1 +ATOM 19907 C C . LEU M 13 76 ? 43.482 -15.564 -74.469 1.00 61.78 ? 78 LEU O C 1 +ATOM 19908 O O . LEU M 13 76 ? 44.575 -14.987 -74.397 1.00 55.60 ? 78 LEU O O 1 +ATOM 19909 C CB . LEU M 13 76 ? 41.609 -13.982 -73.944 1.00 52.63 ? 78 LEU O CB 1 +ATOM 19910 C CG . LEU M 13 76 ? 40.833 -13.292 -72.819 1.00 56.06 ? 78 LEU O CG 1 +ATOM 19911 C CD1 . LEU M 13 76 ? 40.209 -11.978 -73.297 1.00 50.31 ? 78 LEU O CD1 1 +ATOM 19912 C CD2 . LEU M 13 76 ? 39.774 -14.233 -72.215 1.00 49.94 ? 78 LEU O CD2 1 +ATOM 19913 N N . ASP M 13 77 ? 43.220 -16.508 -75.370 1.00 52.64 ? 79 ASP O N 1 +ATOM 19914 C CA . ASP M 13 77 ? 44.270 -16.955 -76.273 1.00 60.06 ? 79 ASP O CA 1 +ATOM 19915 C C . ASP M 13 77 ? 43.657 -17.575 -77.522 1.00 54.12 ? 79 ASP O C 1 +ATOM 19916 O O . ASP M 13 77 ? 42.440 -17.747 -77.627 1.00 59.40 ? 79 ASP O O 1 +ATOM 19917 C CB . ASP M 13 77 ? 45.218 -17.936 -75.577 1.00 54.27 ? 79 ASP O CB 1 +ATOM 19918 C CG . ASP M 13 77 ? 46.551 -18.053 -76.292 1.00 64.95 ? 79 ASP O CG 1 +ATOM 19919 O OD1 . ASP M 13 77 ? 46.703 -17.443 -77.376 1.00 58.53 ? 79 ASP O OD1 1 +ATOM 19920 O OD2 . ASP M 13 77 ? 47.445 -18.752 -75.770 1.00 61.91 ? 79 ASP O OD2 1 +ATOM 19921 N N . GLN M 13 78 ? 44.536 -17.876 -78.485 1.00 62.20 ? 80 GLN O N 1 +ATOM 19922 C CA . GLN M 13 78 ? 44.181 -18.433 -79.796 1.00 50.04 ? 80 GLN O CA 1 +ATOM 19923 C C . GLN M 13 78 ? 43.115 -17.595 -80.491 1.00 60.75 ? 80 GLN O C 1 +ATOM 19924 O O . GLN M 13 78 ? 42.271 -18.109 -81.232 1.00 60.59 ? 80 GLN O O 1 +ATOM 19925 C CB . GLN M 13 78 ? 43.753 -19.911 -79.687 1.00 55.43 ? 80 GLN O CB 1 +ATOM 19926 C CG . GLN M 13 78 ? 44.753 -20.795 -78.888 1.00 53.50 ? 80 GLN O CG 1 +ATOM 19927 C CD . GLN M 13 78 ? 44.664 -22.290 -79.233 1.00 92.94 ? 80 GLN O CD 1 +ATOM 19928 O OE1 . GLN M 13 78 ? 44.865 -22.680 -80.387 1.00 100.05 ? 80 GLN O OE1 1 +ATOM 19929 N NE2 . GLN M 13 78 ? 44.385 -23.132 -78.226 1.00 78.61 ? 80 GLN O NE2 1 +ATOM 19930 N N . ILE M 13 79 ? 43.155 -16.285 -80.258 1.00 56.78 ? 81 ILE O N 1 +ATOM 19931 C CA . ILE M 13 79 ? 42.234 -15.359 -80.899 1.00 62.00 ? 81 ILE O CA 1 +ATOM 19932 C C . ILE M 13 79 ? 42.782 -14.992 -82.273 1.00 71.11 ? 81 ILE O C 1 +ATOM 19933 O O . ILE M 13 79 ? 43.999 -14.832 -82.455 1.00 57.88 ? 81 ILE O O 1 +ATOM 19934 C CB . ILE M 13 79 ? 42.037 -14.117 -80.010 1.00 62.18 ? 81 ILE O CB 1 +ATOM 19935 C CG1 . ILE M 13 79 ? 41.272 -14.509 -78.738 1.00 64.52 ? 81 ILE O CG1 1 +ATOM 19936 C CG2 . ILE M 13 79 ? 41.336 -12.980 -80.774 1.00 54.32 ? 81 ILE O CG2 1 +ATOM 19937 C CD1 . ILE M 13 79 ? 41.323 -13.456 -77.647 1.00 61.05 ? 81 ILE O CD1 1 +ATOM 19938 N N . GLN M 13 80 ? 41.890 -14.843 -83.247 1.00 63.37 ? 82 GLN O N 1 +ATOM 19939 C CA . GLN M 13 80 ? 42.327 -14.565 -84.605 1.00 68.46 ? 82 GLN O CA 1 +ATOM 19940 C C . GLN M 13 80 ? 41.271 -13.738 -85.326 1.00 66.65 ? 82 GLN O C 1 +ATOM 19941 O O . GLN M 13 80 ? 40.106 -13.679 -84.922 1.00 59.61 ? 82 GLN O O 1 +ATOM 19942 C CB . GLN M 13 80 ? 42.621 -15.873 -85.363 1.00 70.95 ? 82 GLN O CB 1 +ATOM 19943 C CG . GLN M 13 80 ? 41.383 -16.704 -85.621 1.00 74.42 ? 82 GLN O CG 1 +ATOM 19944 C CD . GLN M 13 80 ? 41.690 -18.006 -86.321 1.00 103.14 ? 82 GLN O CD 1 +ATOM 19945 O OE1 . GLN M 13 80 ? 42.812 -18.528 -86.243 1.00 94.48 ? 82 GLN O OE1 1 +ATOM 19946 N NE2 . GLN M 13 80 ? 40.691 -18.544 -87.015 1.00 98.22 ? 82 GLN O NE2 1 +ATOM 19947 N N . GLY M 13 81 ? 41.699 -13.104 -86.407 1.00 67.59 ? 83 GLY O N 1 +ATOM 19948 C CA . GLY M 13 81 ? 40.806 -12.282 -87.200 1.00 67.67 ? 83 GLY O CA 1 +ATOM 19949 C C . GLY M 13 81 ? 41.590 -11.449 -88.193 1.00 73.20 ? 83 GLY O C 1 +ATOM 19950 O O . GLY M 13 81 ? 42.829 -11.417 -88.179 1.00 60.16 ? 83 GLY O O 1 +ATOM 19951 N N . GLU M 13 82 ? 40.838 -10.758 -89.050 1.00 72.19 ? 84 GLU O N 1 +ATOM 19952 C CA . GLU M 13 82 ? 41.438 -9.950 -90.102 1.00 69.42 ? 84 GLU O CA 1 +ATOM 19953 C C . GLU M 13 82 ? 42.049 -8.663 -89.547 1.00 84.55 ? 84 GLU O C 1 +ATOM 19954 O O . GLU M 13 82 ? 41.507 -8.035 -88.627 1.00 71.05 ? 84 GLU O O 1 +ATOM 19955 C CB . GLU M 13 82 ? 40.408 -9.603 -91.172 1.00 71.89 ? 84 GLU O CB 1 +ATOM 19956 C CG . GLU M 13 82 ? 41.068 -8.990 -92.407 1.00 110.36 ? 84 GLU O CG 1 +ATOM 19957 C CD . GLU M 13 82 ? 40.088 -8.552 -93.478 1.00 123.35 ? 84 GLU O CD 1 +ATOM 19958 O OE1 . GLU M 13 82 ? 38.892 -8.372 -93.152 1.00 127.99 ? 84 GLU O OE1 1 +ATOM 19959 O OE2 . GLU M 13 82 ? 40.527 -8.375 -94.642 1.00 128.23 ? 84 GLU O OE2 1 +ATOM 19960 N N . LEU M 13 83 ? 43.188 -8.282 -90.112 1.00 69.53 ? 85 LEU O N 1 +ATOM 19961 C CA . LEU M 13 83 ? 43.840 -7.008 -89.830 1.00 76.65 ? 85 LEU O CA 1 +ATOM 19962 C C . LEU M 13 83 ? 43.762 -6.192 -91.118 1.00 80.80 ? 85 LEU O C 1 +ATOM 19963 O O . LEU M 13 83 ? 44.562 -6.400 -92.034 1.00 80.85 ? 85 LEU O O 1 +ATOM 19964 C CB . LEU M 13 83 ? 45.278 -7.232 -89.373 1.00 59.49 ? 85 LEU O CB 1 +ATOM 19965 C CG . LEU M 13 83 ? 46.079 -5.995 -88.976 1.00 66.90 ? 85 LEU O CG 1 +ATOM 19966 C CD1 . LEU M 13 83 ? 45.453 -5.288 -87.774 1.00 69.37 ? 85 LEU O CD1 1 +ATOM 19967 C CD2 . LEU M 13 83 ? 47.509 -6.384 -88.667 1.00 74.82 ? 85 LEU O CD2 1 +ATOM 19968 N N . LYS M 13 84 ? 42.782 -5.284 -91.193 1.00 85.39 ? 86 LYS O N 1 +ATOM 19969 C CA . LYS M 13 84 ? 42.492 -4.523 -92.409 1.00 83.29 ? 86 LYS O CA 1 +ATOM 19970 C C . LYS M 13 84 ? 43.271 -3.210 -92.466 1.00 79.86 ? 86 LYS O C 1 +ATOM 19971 O O . LYS M 13 84 ? 43.340 -2.469 -91.482 1.00 74.75 ? 86 LYS O O 1 +ATOM 19972 C CB . LYS M 13 84 ? 40.995 -4.209 -92.505 1.00 76.05 ? 86 LYS O CB 1 +ATOM 19973 C CG . LYS M 13 84 ? 40.095 -5.422 -92.422 1.00 106.40 ? 86 LYS O CG 1 +ATOM 19974 C CD . LYS M 13 84 ? 38.670 -5.139 -92.904 1.00 100.82 ? 86 LYS O CD 1 +ATOM 19975 C CE . LYS M 13 84 ? 37.891 -4.270 -91.924 1.00 106.72 ? 86 LYS O CE 1 +ATOM 19976 N NZ . LYS M 13 84 ? 36.441 -4.192 -92.281 1.00 94.52 ? 86 LYS O NZ 1 +ATOM 19977 N N . VAL M 13 85 ? 43.837 -2.914 -93.635 1.00 84.82 ? 87 VAL O N 1 +ATOM 19978 C CA . VAL M 13 85 ? 44.417 -1.598 -93.908 1.00 98.81 ? 87 VAL O CA 1 +ATOM 19979 C C . VAL M 13 85 ? 43.309 -0.681 -94.414 1.00 74.16 ? 87 VAL O C 1 +ATOM 19980 O O . VAL M 13 85 ? 42.542 -1.052 -95.308 1.00 83.37 ? 87 VAL O O 1 +ATOM 19981 C CB . VAL M 13 85 ? 45.566 -1.695 -94.925 1.00 91.01 ? 87 VAL O CB 1 +ATOM 19982 C CG1 . VAL M 13 85 ? 46.493 -0.509 -94.776 1.00 91.20 ? 87 VAL O CG1 1 +ATOM 19983 C CG2 . VAL M 13 85 ? 46.331 -2.999 -94.745 1.00 89.56 ? 87 VAL O CG2 1 +ATOM 19984 N N . ASN M 13 86 ? 43.204 0.503 -93.826 1.00 85.78 ? 88 ASN O N 1 +ATOM 19985 C CA . ASN M 13 86 ? 42.140 1.439 -94.158 1.00 95.97 ? 88 ASN O CA 1 +ATOM 19986 C C . ASN M 13 86 ? 42.639 2.531 -95.106 1.00 106.08 ? 88 ASN O C 1 +ATOM 19987 O O . ASN M 13 86 ? 43.833 2.641 -95.400 1.00 77.58 ? 88 ASN O O 1 +ATOM 19988 C CB . ASN M 13 86 ? 41.573 2.071 -92.887 1.00 96.70 ? 88 ASN O CB 1 +ATOM 19989 C CG . ASN M 13 86 ? 40.976 1.052 -91.945 1.00 90.27 ? 88 ASN O CG 1 +ATOM 19990 O OD1 . ASN M 13 86 ? 40.121 0.256 -92.327 1.00 86.11 ? 88 ASN O OD1 1 +ATOM 19991 N ND2 . ASN M 13 86 ? 41.421 1.076 -90.704 1.00 73.69 ? 88 ASN O ND2 1 +ATOM 19992 N N . SER M 13 87 ? 41.690 3.357 -95.564 1.00 102.59 ? 89 SER O N 1 +ATOM 19993 C CA . SER M 13 87 ? 42.002 4.473 -96.459 1.00 108.01 ? 89 SER O CA 1 +ATOM 19994 C C . SER M 13 87 ? 43.109 5.353 -95.892 1.00 97.71 ? 89 SER O C 1 +ATOM 19995 O O . SER M 13 87 ? 44.094 5.657 -96.574 1.00 101.13 ? 89 SER O O 1 +ATOM 19996 C CB . SER M 13 87 ? 40.746 5.316 -96.713 1.00 85.73 ? 89 SER O CB 1 +ATOM 19997 O OG . SER M 13 87 ? 39.764 4.593 -97.439 1.00 108.34 ? 89 SER O OG 1 +ATOM 19998 N N . ASP M 13 88 ? 42.967 5.757 -94.637 1.00 78.33 ? 90 ASP O N 1 +ATOM 19999 C CA . ASP M 13 88 ? 43.875 6.693 -93.995 1.00 72.72 ? 90 ASP O CA 1 +ATOM 20000 C C . ASP M 13 88 ? 45.144 6.035 -93.470 1.00 87.42 ? 90 ASP O C 1 +ATOM 20001 O O . ASP M 13 88 ? 45.805 6.618 -92.596 1.00 79.49 ? 90 ASP O O 1 +ATOM 20002 C CB . ASP M 13 88 ? 43.155 7.405 -92.851 1.00 84.49 ? 90 ASP O CB 1 +ATOM 20003 C CG . ASP M 13 88 ? 42.686 6.441 -91.780 1.00 95.52 ? 90 ASP O CG 1 +ATOM 20004 O OD1 . ASP M 13 88 ? 42.092 5.399 -92.134 1.00 103.77 ? 90 ASP O OD1 1 +ATOM 20005 O OD2 . ASP M 13 88 ? 42.941 6.708 -90.588 1.00 108.29 ? 90 ASP O OD2 1 +ATOM 20006 N N . GLY M 13 89 ? 45.490 4.842 -93.959 1.00 80.56 ? 91 GLY O N 1 +ATOM 20007 C CA . GLY M 13 89 ? 46.659 4.135 -93.472 1.00 89.41 ? 91 GLY O CA 1 +ATOM 20008 C C . GLY M 13 89 ? 46.571 3.574 -92.064 1.00 96.29 ? 91 GLY O C 1 +ATOM 20009 O O . GLY M 13 89 ? 47.578 3.062 -91.560 1.00 83.73 ? 91 GLY O O 1 +ATOM 20010 N N . SER M 13 90 ? 45.417 3.662 -91.400 1.00 80.95 ? 92 SER O N 1 +ATOM 20011 C CA . SER M 13 90 ? 45.280 3.014 -90.100 1.00 95.42 ? 92 SER O CA 1 +ATOM 20012 C C . SER M 13 90 ? 44.976 1.526 -90.287 1.00 92.08 ? 92 SER O C 1 +ATOM 20013 O O . SER M 13 90 ? 44.499 1.091 -91.344 1.00 94.84 ? 92 SER O O 1 +ATOM 20014 C CB . SER M 13 90 ? 44.186 3.682 -89.260 1.00 67.12 ? 92 SER O CB 1 +ATOM 20015 O OG . SER M 13 90 ? 42.897 3.443 -89.807 1.00 75.29 ? 92 SER O OG 1 +ATOM 20016 N N . LEU M 13 91 ? 45.289 0.740 -89.252 1.00 86.06 ? 93 LEU O N 1 +ATOM 20017 C CA . LEU M 13 91 ? 45.003 -0.691 -89.225 1.00 89.71 ? 93 LEU O CA 1 +ATOM 20018 C C . LEU M 13 91 ? 43.797 -0.969 -88.336 1.00 71.39 ? 93 LEU O C 1 +ATOM 20019 O O . LEU M 13 91 ? 43.655 -0.372 -87.265 1.00 79.24 ? 93 LEU O O 1 +ATOM 20020 C CB . LEU M 13 91 ? 46.210 -1.483 -88.710 1.00 87.10 ? 93 LEU O CB 1 +ATOM 20021 C CG . LEU M 13 91 ? 47.506 -1.293 -89.502 1.00 104.01 ? 93 LEU O CG 1 +ATOM 20022 C CD1 . LEU M 13 91 ? 48.680 -2.052 -88.870 1.00 77.35 ? 93 LEU O CD1 1 +ATOM 20023 C CD2 . LEU M 13 91 ? 47.294 -1.718 -90.953 1.00 91.82 ? 93 LEU O CD2 1 +ATOM 20024 N N . THR M 13 92 ? 42.934 -1.881 -88.773 1.00 70.14 ? 94 THR O N 1 +ATOM 20025 C CA . THR M 13 92 ? 41.799 -2.318 -87.968 1.00 79.27 ? 94 THR O CA 1 +ATOM 20026 C C . THR M 13 92 ? 41.845 -3.828 -87.780 1.00 79.33 ? 94 THR O C 1 +ATOM 20027 O O . THR M 13 92 ? 41.880 -4.587 -88.758 1.00 71.71 ? 94 THR O O 1 +ATOM 20028 C CB . THR M 13 92 ? 40.469 -1.899 -88.591 1.00 81.25 ? 94 THR O CB 1 +ATOM 20029 O OG1 . THR M 13 92 ? 40.302 -0.480 -88.441 1.00 79.89 ? 94 THR O OG1 1 +ATOM 20030 C CG2 . THR M 13 92 ? 39.321 -2.617 -87.893 1.00 70.01 ? 94 THR O CG2 1 +ATOM 20031 N N . PHE M 13 93 ? 41.840 -4.258 -86.518 1.00 78.82 ? 95 PHE O N 1 +ATOM 20032 C CA . PHE M 13 93 ? 41.685 -5.667 -86.181 1.00 70.41 ? 95 PHE O CA 1 +ATOM 20033 C C . PHE M 13 93 ? 40.211 -5.965 -85.931 1.00 60.91 ? 95 PHE O C 1 +ATOM 20034 O O . PHE M 13 93 ? 39.541 -5.234 -85.192 1.00 62.08 ? 95 PHE O O 1 +ATOM 20035 C CB . PHE M 13 93 ? 42.525 -6.023 -84.957 1.00 64.52 ? 95 PHE O CB 1 +ATOM 20036 C CG . PHE M 13 93 ? 42.295 -7.426 -84.457 1.00 87.58 ? 95 PHE O CG 1 +ATOM 20037 C CD1 . PHE M 13 93 ? 42.561 -8.521 -85.275 1.00 62.79 ? 95 PHE O CD1 1 +ATOM 20038 C CD2 . PHE M 13 93 ? 41.805 -7.653 -83.169 1.00 69.49 ? 95 PHE O CD2 1 +ATOM 20039 C CE1 . PHE M 13 93 ? 42.351 -9.816 -84.828 1.00 66.81 ? 95 PHE O CE1 1 +ATOM 20040 C CE2 . PHE M 13 93 ? 41.592 -8.953 -82.710 1.00 69.34 ? 95 PHE O CE2 1 +ATOM 20041 C CZ . PHE M 13 93 ? 41.868 -10.036 -83.540 1.00 63.90 ? 95 PHE O CZ 1 +ATOM 20042 N N . VAL M 13 94 ? 39.703 -7.012 -86.572 1.00 52.92 ? 96 VAL O N 1 +ATOM 20043 C CA . VAL M 13 94 ? 38.328 -7.468 -86.381 1.00 69.02 ? 96 VAL O CA 1 +ATOM 20044 C C . VAL M 13 94 ? 38.387 -8.904 -85.873 1.00 66.41 ? 96 VAL O C 1 +ATOM 20045 O O . VAL M 13 94 ? 38.705 -9.822 -86.639 1.00 68.86 ? 96 VAL O O 1 +ATOM 20046 C CB . VAL M 13 94 ? 37.499 -7.381 -87.668 1.00 72.86 ? 96 VAL O CB 1 +ATOM 20047 C CG1 . VAL M 13 94 ? 36.077 -7.909 -87.421 1.00 52.98 ? 96 VAL O CG1 1 +ATOM 20048 C CG2 . VAL M 13 94 ? 37.479 -5.945 -88.189 1.00 66.67 ? 96 VAL O CG2 1 +ATOM 20049 N N . GLU M 13 95 ? 38.087 -9.101 -84.588 1.00 69.12 ? 97 GLU O N 1 +ATOM 20050 C CA . GLU M 13 95 ? 38.102 -10.444 -84.022 1.00 69.10 ? 97 GLU O CA 1 +ATOM 20051 C C . GLU M 13 95 ? 37.096 -11.330 -84.738 1.00 66.55 ? 97 GLU O C 1 +ATOM 20052 O O . GLU M 13 95 ? 35.931 -10.961 -84.904 1.00 71.09 ? 97 GLU O O 1 +ATOM 20053 C CB . GLU M 13 95 ? 37.786 -10.408 -82.529 1.00 75.33 ? 97 GLU O CB 1 +ATOM 20054 C CG . GLU M 13 95 ? 38.222 -11.672 -81.802 1.00 82.38 ? 97 GLU O CG 1 +ATOM 20055 C CD . GLU M 13 95 ? 37.112 -12.342 -81.002 1.00 71.16 ? 97 GLU O CD 1 +ATOM 20056 O OE1 . GLU M 13 95 ? 35.994 -11.785 -80.914 1.00 63.00 ? 97 GLU O OE1 1 +ATOM 20057 O OE2 . GLU M 13 95 ? 37.371 -13.437 -80.464 1.00 65.75 ? 97 GLU O OE2 1 +ATOM 20058 N N A GLU M 13 96 ? 37.553 -12.492 -85.199 0.50 64.26 ? 98 GLU O N 1 +ATOM 20059 N N B GLU M 13 96 ? 37.565 -12.497 -85.176 0.50 64.26 ? 98 GLU O N 1 +ATOM 20060 C CA A GLU M 13 96 ? 36.644 -13.466 -85.785 0.50 68.94 ? 98 GLU O CA 1 +ATOM 20061 C CA B GLU M 13 96 ? 36.746 -13.524 -85.798 0.50 69.02 ? 98 GLU O CA 1 +ATOM 20062 C C A GLU M 13 96 ? 36.388 -14.679 -84.896 0.50 79.85 ? 98 GLU O C 1 +ATOM 20063 C C B GLU M 13 96 ? 36.371 -14.618 -84.805 0.50 79.70 ? 98 GLU O C 1 +ATOM 20064 O O A GLU M 13 96 ? 35.248 -15.145 -84.826 0.50 69.53 ? 98 GLU O O 1 +ATOM 20065 O O B GLU M 13 96 ? 35.190 -14.936 -84.625 0.50 68.35 ? 98 GLU O O 1 +ATOM 20066 C CB A GLU M 13 96 ? 37.165 -13.911 -87.159 0.50 73.93 ? 98 GLU O CB 1 +ATOM 20067 C CB B GLU M 13 96 ? 37.502 -14.134 -86.988 0.50 73.68 ? 98 GLU O CB 1 +ATOM 20068 C CG A GLU M 13 96 ? 36.584 -13.076 -88.307 0.50 85.84 ? 98 GLU O CG 1 +ATOM 20069 C CG B GLU M 13 96 ? 36.899 -15.415 -87.543 0.50 79.80 ? 98 GLU O CG 1 +ATOM 20070 C CD A GLU M 13 96 ? 37.601 -12.719 -89.382 0.50 94.91 ? 98 GLU O CD 1 +ATOM 20071 C CD B GLU M 13 96 ? 37.853 -16.169 -88.463 0.50 86.96 ? 98 GLU O CD 1 +ATOM 20072 O OE1 A GLU M 13 96 ? 38.185 -13.649 -89.986 0.50 81.63 ? 98 GLU O OE1 1 +ATOM 20073 O OE1 B GLU M 13 96 ? 38.743 -16.885 -87.954 0.50 87.09 ? 98 GLU O OE1 1 +ATOM 20074 O OE2 A GLU M 13 96 ? 37.811 -11.503 -89.619 0.50 90.87 ? 98 GLU O OE2 1 +ATOM 20075 O OE2 B GLU M 13 96 ? 37.713 -16.043 -89.698 0.50 98.06 ? 98 GLU O OE2 1 +ATOM 20076 N N . ASP M 13 97 ? 37.366 -15.187 -84.134 1.00 61.35 ? 99 ASP O N 1 +ATOM 20077 C CA . ASP M 13 97 ? 37.142 -16.349 -83.280 1.00 59.70 ? 99 ASP O CA 1 +ATOM 20078 C C . ASP M 13 97 ? 38.291 -16.462 -82.286 1.00 69.35 ? 99 ASP O C 1 +ATOM 20079 O O . ASP M 13 97 ? 39.345 -15.838 -82.445 1.00 63.65 ? 99 ASP O O 1 +ATOM 20080 C CB . ASP M 13 97 ? 37.001 -17.633 -84.126 1.00 62.21 ? 99 ASP O CB 1 +ATOM 20081 C CG . ASP M 13 97 ? 36.512 -18.856 -83.325 1.00 68.99 ? 99 ASP O CG 1 +ATOM 20082 O OD1 . ASP M 13 97 ? 35.879 -18.717 -82.252 1.00 80.54 ? 99 ASP O OD1 1 +ATOM 20083 O OD2 . ASP M 13 97 ? 36.768 -19.983 -83.774 1.00 68.11 ? 99 ASP O OD2 1 +ATOM 20084 N N . GLY M 13 98 ? 38.066 -17.270 -81.254 1.00 55.16 ? 100 GLY O N 1 +ATOM 20085 C CA . GLY M 13 98 ? 39.119 -17.719 -80.371 1.00 54.37 ? 100 GLY O CA 1 +ATOM 20086 C C . GLY M 13 98 ? 38.561 -18.006 -78.988 1.00 61.63 ? 100 GLY O C 1 +ATOM 20087 O O . GLY M 13 98 ? 37.350 -17.979 -78.764 1.00 48.48 ? 100 GLY O O 1 +ATOM 20088 N N . ILE M 13 99 ? 39.474 -18.290 -78.061 1.00 51.33 ? 101 ILE O N 1 +ATOM 20089 C CA . ILE M 13 99 ? 39.101 -18.458 -76.656 1.00 51.16 ? 101 ILE O CA 1 +ATOM 20090 C C . ILE M 13 99 ? 39.131 -17.053 -76.061 1.00 59.22 ? 101 ILE O C 1 +ATOM 20091 O O . ILE M 13 99 ? 40.138 -16.588 -75.504 1.00 52.67 ? 101 ILE O O 1 +ATOM 20092 C CB . ILE M 13 99 ? 39.999 -19.456 -75.934 1.00 59.20 ? 101 ILE O CB 1 +ATOM 20093 C CG1 . ILE M 13 99 ? 39.869 -20.830 -76.611 1.00 57.64 ? 101 ILE O CG1 1 +ATOM 20094 C CG2 . ILE M 13 99 ? 39.583 -19.594 -74.470 1.00 51.31 ? 101 ILE O CG2 1 +ATOM 20095 C CD1 . ILE M 13 99 ? 40.973 -21.804 -76.309 1.00 54.26 ? 101 ILE O CD1 1 +ATOM 20096 N N . ASP M 13 100 ? 38.007 -16.353 -76.215 1.00 52.32 ? 102 ASP O N 1 +ATOM 20097 C CA . ASP M 13 100 ? 37.949 -14.907 -76.080 1.00 50.93 ? 102 ASP O CA 1 +ATOM 20098 C C . ASP M 13 100 ? 37.133 -14.464 -74.865 1.00 54.25 ? 102 ASP O C 1 +ATOM 20099 O O . ASP M 13 100 ? 36.630 -13.331 -74.827 1.00 50.71 ? 102 ASP O O 1 +ATOM 20100 C CB . ASP M 13 100 ? 37.397 -14.289 -77.372 1.00 49.68 ? 102 ASP O CB 1 +ATOM 20101 C CG . ASP M 13 100 ? 35.957 -14.710 -77.688 1.00 64.19 ? 102 ASP O CG 1 +ATOM 20102 O OD1 . ASP M 13 100 ? 35.302 -15.428 -76.897 1.00 54.30 ? 102 ASP O OD1 1 +ATOM 20103 O OD2 . ASP M 13 100 ? 35.467 -14.310 -78.765 1.00 59.44 ? 102 ASP O OD2 1 +ATOM 20104 N N . PHE M 13 101 ? 37.002 -15.336 -73.872 1.00 52.46 ? 103 PHE O N 1 +ATOM 20105 C CA . PHE M 13 101 ? 36.297 -15.019 -72.641 1.00 52.45 ? 103 PHE O CA 1 +ATOM 20106 C C . PHE M 13 101 ? 36.790 -15.974 -71.565 1.00 51.67 ? 103 PHE O C 1 +ATOM 20107 O O . PHE M 13 101 ? 37.144 -17.120 -71.859 1.00 51.84 ? 103 PHE O O 1 +ATOM 20108 C CB . PHE M 13 101 ? 34.784 -15.158 -72.806 1.00 54.21 ? 103 PHE O CB 1 +ATOM 20109 C CG . PHE M 13 101 ? 34.345 -16.584 -72.947 1.00 51.70 ? 103 PHE O CG 1 +ATOM 20110 C CD1 . PHE M 13 101 ? 34.443 -17.235 -74.178 1.00 53.14 ? 103 PHE O CD1 1 +ATOM 20111 C CD2 . PHE M 13 101 ? 33.868 -17.292 -71.846 1.00 48.96 ? 103 PHE O CD2 1 +ATOM 20112 C CE1 . PHE M 13 101 ? 34.063 -18.562 -74.317 1.00 51.81 ? 103 PHE O CE1 1 +ATOM 20113 C CE2 . PHE M 13 101 ? 33.487 -18.629 -71.974 1.00 48.78 ? 103 PHE O CE2 1 +ATOM 20114 C CZ . PHE M 13 101 ? 33.594 -19.263 -73.216 1.00 49.74 ? 103 PHE O CZ 1 +ATOM 20115 N N . GLN M 13 102 ? 36.833 -15.483 -70.320 1.00 51.66 ? 104 GLN O N 1 +ATOM 20116 C CA . GLN M 13 102 ? 37.034 -16.327 -69.143 1.00 48.42 ? 104 GLN O CA 1 +ATOM 20117 C C . GLN M 13 102 ? 36.197 -15.742 -68.026 1.00 47.45 ? 104 GLN O C 1 +ATOM 20118 O O . GLN M 13 102 ? 36.322 -14.540 -67.745 1.00 56.25 ? 104 GLN O O 1 +ATOM 20119 C CB . GLN M 13 102 ? 38.487 -16.426 -68.675 1.00 47.45 ? 104 GLN O CB 1 +ATOM 20120 C CG . GLN M 13 102 ? 39.442 -17.046 -69.666 1.00 53.14 ? 104 GLN O CG 1 +ATOM 20121 C CD . GLN M 13 102 ? 39.169 -18.512 -69.925 1.00 59.02 ? 104 GLN O CD 1 +ATOM 20122 O OE1 . GLN M 13 102 ? 38.421 -19.169 -69.196 1.00 54.64 ? 104 GLN O OE1 1 +ATOM 20123 N NE2 . GLN M 13 102 ? 39.792 -19.037 -70.960 1.00 54.41 ? 104 GLN O NE2 1 +ATOM 20124 N N . PRO M 13 103 ? 35.368 -16.540 -67.360 1.00 54.70 ? 105 PRO O N 1 +ATOM 20125 C CA . PRO M 13 103 ? 34.780 -16.061 -66.106 1.00 47.27 ? 105 PRO O CA 1 +ATOM 20126 C C . PRO M 13 103 ? 35.870 -15.937 -65.051 1.00 49.06 ? 105 PRO O C 1 +ATOM 20127 O O . PRO M 13 103 ? 36.783 -16.764 -64.971 1.00 49.78 ? 105 PRO O O 1 +ATOM 20128 C CB . PRO M 13 103 ? 33.749 -17.142 -65.760 1.00 50.27 ? 105 PRO O CB 1 +ATOM 20129 C CG . PRO M 13 103 ? 34.370 -18.396 -66.334 1.00 47.02 ? 105 PRO O CG 1 +ATOM 20130 C CD . PRO M 13 103 ? 34.995 -17.940 -67.644 1.00 47.31 ? 105 PRO O CD 1 +ATOM 20131 N N . VAL M 13 104 ? 35.806 -14.858 -64.281 1.00 48.36 ? 106 VAL O N 1 +ATOM 20132 C CA . VAL M 13 104 ? 36.819 -14.545 -63.278 1.00 45.95 ? 106 VAL O CA 1 +ATOM 20133 C C . VAL M 13 104 ? 36.096 -14.104 -62.014 1.00 40.71 ? 106 VAL O C 1 +ATOM 20134 O O . VAL M 13 104 ? 35.133 -13.336 -62.079 1.00 50.05 ? 106 VAL O O 1 +ATOM 20135 C CB . VAL M 13 104 ? 37.781 -13.432 -63.780 1.00 52.82 ? 106 VAL O CB 1 +ATOM 20136 C CG1 . VAL M 13 104 ? 38.750 -12.985 -62.673 1.00 46.81 ? 106 VAL O CG1 1 +ATOM 20137 C CG2 . VAL M 13 104 ? 38.529 -13.849 -65.041 1.00 51.10 ? 106 VAL O CG2 1 +ATOM 20138 N N . THR M 13 105 ? 36.549 -14.570 -60.857 1.00 44.70 ? 107 THR O N 1 +ATOM 20139 C CA . THR M 13 105 ? 36.058 -14.018 -59.593 1.00 43.38 ? 107 THR O CA 1 +ATOM 20140 C C . THR M 13 105 ? 37.238 -13.441 -58.830 1.00 50.80 ? 107 THR O C 1 +ATOM 20141 O O . THR M 13 105 ? 38.235 -14.140 -58.596 1.00 47.72 ? 107 THR O O 1 +ATOM 20142 C CB . THR M 13 105 ? 35.326 -15.048 -58.732 1.00 45.62 ? 107 THR O CB 1 +ATOM 20143 O OG1 . THR M 13 105 ? 34.251 -15.626 -59.475 1.00 47.50 ? 107 THR O OG1 1 +ATOM 20144 C CG2 . THR M 13 105 ? 34.749 -14.371 -57.454 1.00 41.46 ? 107 THR O CG2 1 +ATOM 20145 N N . VAL M 13 106 ? 37.129 -12.164 -58.473 1.00 48.09 ? 108 VAL O N 1 +ATOM 20146 C CA . VAL M 13 106 ? 38.086 -11.500 -57.610 1.00 55.44 ? 108 VAL O CA 1 +ATOM 20147 C C . VAL M 13 106 ? 37.363 -11.139 -56.322 1.00 57.94 ? 108 VAL O C 1 +ATOM 20148 O O . VAL M 13 106 ? 36.133 -11.004 -56.275 1.00 55.37 ? 108 VAL O O 1 +ATOM 20149 C CB . VAL M 13 106 ? 38.719 -10.245 -58.282 1.00 53.87 ? 108 VAL O CB 1 +ATOM 20150 C CG1 . VAL M 13 106 ? 39.550 -10.669 -59.480 1.00 46.14 ? 108 VAL O CG1 1 +ATOM 20151 C CG2 . VAL M 13 106 ? 37.649 -9.238 -58.683 1.00 44.01 ? 108 VAL O CG2 1 +ATOM 20152 N N . GLN M 13 107 ? 38.134 -11.002 -55.258 1.00 48.93 ? 109 GLN O N 1 +ATOM 20153 C CA . GLN M 13 107 ? 37.583 -10.685 -53.954 1.00 56.80 ? 109 GLN O CA 1 +ATOM 20154 C C . GLN M 13 107 ? 38.136 -9.343 -53.470 1.00 55.68 ? 109 GLN O C 1 +ATOM 20155 O O . GLN M 13 107 ? 39.346 -9.105 -53.529 1.00 57.37 ? 109 GLN O O 1 +ATOM 20156 C CB . GLN M 13 107 ? 37.911 -11.809 -52.973 1.00 49.52 ? 109 GLN O CB 1 +ATOM 20157 C CG . GLN M 13 107 ? 37.210 -11.725 -51.645 1.00 50.50 ? 109 GLN O CG 1 +ATOM 20158 C CD . GLN M 13 107 ? 37.373 -13.019 -50.868 1.00 54.17 ? 109 GLN O CD 1 +ATOM 20159 O OE1 . GLN M 13 107 ? 36.983 -14.099 -51.342 1.00 52.21 ? 109 GLN O OE1 1 +ATOM 20160 N NE2 . GLN M 13 107 ? 38.003 -12.927 -49.696 1.00 46.34 ? 109 GLN O NE2 1 +ATOM 20161 N N . MET M 13 108 ? 37.252 -8.472 -53.003 1.00 54.40 ? 110 MET O N 1 +ATOM 20162 C CA . MET M 13 108 ? 37.642 -7.199 -52.416 1.00 55.99 ? 110 MET O CA 1 +ATOM 20163 C C . MET M 13 108 ? 37.975 -7.351 -50.932 1.00 59.29 ? 110 MET O C 1 +ATOM 20164 O O . MET M 13 108 ? 37.680 -8.374 -50.300 1.00 59.63 ? 110 MET O O 1 +ATOM 20165 C CB . MET M 13 108 ? 36.527 -6.180 -52.606 1.00 58.72 ? 110 MET O CB 1 +ATOM 20166 C CG . MET M 13 108 ? 36.285 -5.861 -54.076 1.00 72.10 ? 110 MET O CG 1 +ATOM 20167 S SD . MET M 13 108 ? 35.039 -4.591 -54.247 1.00 79.72 ? 110 MET O SD 1 +ATOM 20168 C CE . MET M 13 108 ? 35.652 -3.392 -53.073 1.00 98.72 ? 110 MET O CE 1 +ATOM 20169 N N . ALA M 13 109 ? 38.622 -6.321 -50.380 1.00 55.55 ? 111 ALA O N 1 +ATOM 20170 C CA . ALA M 13 109 ? 38.852 -6.287 -48.939 1.00 59.25 ? 111 ALA O CA 1 +ATOM 20171 C C . ALA M 13 109 ? 37.509 -6.340 -48.232 1.00 58.83 ? 111 ALA O C 1 +ATOM 20172 O O . ALA M 13 109 ? 36.561 -5.660 -48.636 1.00 57.55 ? 111 ALA O O 1 +ATOM 20173 C CB . ALA M 13 109 ? 39.624 -5.033 -48.533 1.00 54.83 ? 111 ALA O CB 1 +ATOM 20174 N N . GLY M 13 110 ? 37.411 -7.179 -47.206 1.00 53.95 ? 112 GLY O N 1 +ATOM 20175 C CA . GLY M 13 110 ? 36.149 -7.377 -46.530 1.00 59.07 ? 112 GLY O CA 1 +ATOM 20176 C C . GLY M 13 110 ? 35.389 -8.606 -46.960 1.00 62.02 ? 112 GLY O C 1 +ATOM 20177 O O . GLY M 13 110 ? 34.459 -9.012 -46.251 1.00 56.45 ? 112 GLY O O 1 +ATOM 20178 N N . GLY M 13 111 ? 35.733 -9.195 -48.111 1.00 61.00 ? 113 GLY O N 1 +ATOM 20179 C CA . GLY M 13 111 ? 35.218 -10.485 -48.514 1.00 59.57 ? 113 GLY O CA 1 +ATOM 20180 C C . GLY M 13 111 ? 34.244 -10.468 -49.672 1.00 57.82 ? 113 GLY O C 1 +ATOM 20181 O O . GLY M 13 111 ? 33.881 -11.545 -50.151 1.00 56.99 ? 113 GLY O O 1 +ATOM 20182 N N . GLU M 13 112 ? 33.808 -9.304 -50.145 1.00 52.62 ? 114 GLU O N 1 +ATOM 20183 C CA . GLU M 13 112 ? 32.866 -9.280 -51.256 1.00 60.80 ? 114 GLU O CA 1 +ATOM 20184 C C . GLU M 13 112 ? 33.526 -9.802 -52.530 1.00 61.03 ? 114 GLU O C 1 +ATOM 20185 O O . GLU M 13 112 ? 34.605 -9.344 -52.922 1.00 54.45 ? 114 GLU O O 1 +ATOM 20186 C CB . GLU M 13 112 ? 32.332 -7.873 -51.479 1.00 55.88 ? 114 GLU O CB 1 +ATOM 20187 C CG . GLU M 13 112 ? 31.351 -7.783 -52.624 1.00 64.29 ? 114 GLU O CG 1 +ATOM 20188 C CD . GLU M 13 112 ? 30.880 -6.369 -52.887 1.00 74.25 ? 114 GLU O CD 1 +ATOM 20189 O OE1 . GLU M 13 112 ? 31.437 -5.425 -52.292 1.00 95.25 ? 114 GLU O OE1 1 +ATOM 20190 O OE2 . GLU M 13 112 ? 29.944 -6.204 -53.695 1.00 99.14 ? 114 GLU O OE2 1 +ATOM 20191 N N . ARG M 13 113 ? 32.882 -10.778 -53.158 1.00 51.81 ? 115 ARG O N 1 +ATOM 20192 C CA . ARG M 13 113 ? 33.377 -11.401 -54.376 1.00 48.29 ? 115 ARG O CA 1 +ATOM 20193 C C . ARG M 13 113 ? 32.750 -10.728 -55.575 1.00 52.47 ? 115 ARG O C 1 +ATOM 20194 O O . ARG M 13 113 ? 31.540 -10.470 -55.582 1.00 52.94 ? 115 ARG O O 1 +ATOM 20195 C CB . ARG M 13 113 ? 33.063 -12.891 -54.397 1.00 50.43 ? 115 ARG O CB 1 +ATOM 20196 C CG . ARG M 13 113 ? 34.010 -13.695 -53.560 1.00 59.61 ? 115 ARG O CG 1 +ATOM 20197 C CD . ARG M 13 113 ? 33.258 -14.716 -52.794 1.00 53.07 ? 115 ARG O CD 1 +ATOM 20198 N NE . ARG M 13 113 ? 34.157 -15.550 -52.014 1.00 52.33 ? 115 ARG O NE 1 +ATOM 20199 C CZ . ARG M 13 113 ? 33.839 -16.772 -51.620 1.00 46.88 ? 115 ARG O CZ 1 +ATOM 20200 N NH1 . ARG M 13 113 ? 32.666 -17.303 -51.925 1.00 47.59 ? 115 ARG O NH1 1 +ATOM 20201 N NH2 . ARG M 13 113 ? 34.730 -17.487 -50.939 1.00 41.27 ? 115 ARG O NH2 1 +ATOM 20202 N N . ILE M 13 114 ? 33.582 -10.420 -56.567 1.00 47.65 ? 116 ILE O N 1 +ATOM 20203 C CA . ILE M 13 114 ? 33.136 -9.782 -57.800 1.00 43.73 ? 116 ILE O CA 1 +ATOM 20204 C C . ILE M 13 114 ? 33.372 -10.759 -58.943 1.00 52.85 ? 116 ILE O C 1 +ATOM 20205 O O . ILE M 13 114 ? 34.530 -11.021 -59.315 1.00 49.81 ? 116 ILE O O 1 +ATOM 20206 C CB . ILE M 13 114 ? 33.878 -8.461 -58.070 1.00 54.40 ? 116 ILE O CB 1 +ATOM 20207 C CG1 . ILE M 13 114 ? 33.919 -7.577 -56.820 1.00 51.16 ? 116 ILE O CG1 1 +ATOM 20208 C CG2 . ILE M 13 114 ? 33.242 -7.735 -59.267 1.00 44.54 ? 116 ILE O CG2 1 +ATOM 20209 C CD1 . ILE M 13 114 ? 32.569 -7.236 -56.303 1.00 61.99 ? 116 ILE O CD1 1 +ATOM 20210 N N . PRO M 13 115 ? 32.322 -11.339 -59.511 1.00 51.45 ? 117 PRO O N 1 +ATOM 20211 C CA . PRO M 13 115 ? 32.502 -12.113 -60.745 1.00 51.74 ? 117 PRO O CA 1 +ATOM 20212 C C . PRO M 13 115 ? 32.330 -11.233 -61.971 1.00 49.48 ? 117 PRO O C 1 +ATOM 20213 O O . PRO M 13 115 ? 31.507 -10.315 -62.015 1.00 50.25 ? 117 PRO O O 1 +ATOM 20214 C CB . PRO M 13 115 ? 31.408 -13.190 -60.660 1.00 45.19 ? 117 PRO O CB 1 +ATOM 20215 C CG . PRO M 13 115 ? 30.610 -12.888 -59.352 1.00 48.76 ? 117 PRO O CG 1 +ATOM 20216 C CD . PRO M 13 115 ? 30.973 -11.495 -58.946 1.00 50.48 ? 117 PRO O CD 1 +ATOM 20217 N N . LEU M 13 116 ? 33.146 -11.513 -62.978 1.00 45.10 ? 118 LEU O N 1 +ATOM 20218 C CA . LEU M 13 116 ? 33.061 -10.799 -64.239 1.00 47.42 ? 118 LEU O CA 1 +ATOM 20219 C C . LEU M 13 116 ? 33.407 -11.758 -65.375 1.00 55.56 ? 118 LEU O C 1 +ATOM 20220 O O . LEU M 13 116 ? 34.152 -12.735 -65.196 1.00 51.15 ? 118 LEU O O 1 +ATOM 20221 C CB . LEU M 13 116 ? 33.998 -9.584 -64.258 1.00 54.11 ? 118 LEU O CB 1 +ATOM 20222 C CG . LEU M 13 116 ? 35.476 -9.935 -64.100 1.00 52.02 ? 118 LEU O CG 1 +ATOM 20223 C CD1 . LEU M 13 116 ? 36.301 -9.156 -65.115 1.00 56.50 ? 118 LEU O CD1 1 +ATOM 20224 C CD2 . LEU M 13 116 ? 35.927 -9.632 -62.686 1.00 47.42 ? 118 LEU O CD2 1 +ATOM 20225 N N . LEU M 13 117 ? 32.819 -11.499 -66.531 1.00 46.59 ? 119 LEU O N 1 +ATOM 20226 C CA . LEU M 13 117 ? 33.175 -12.221 -67.753 1.00 52.68 ? 119 LEU O CA 1 +ATOM 20227 C C . LEU M 13 117 ? 34.269 -11.398 -68.422 1.00 50.28 ? 119 LEU O C 1 +ATOM 20228 O O . LEU M 13 117 ? 33.992 -10.448 -69.144 1.00 51.65 ? 119 LEU O O 1 +ATOM 20229 C CB . LEU M 13 117 ? 31.958 -12.398 -68.653 1.00 47.08 ? 119 LEU O CB 1 +ATOM 20230 C CG . LEU M 13 117 ? 32.123 -13.379 -69.822 1.00 54.33 ? 119 LEU O CG 1 +ATOM 20231 C CD1 . LEU M 13 117 ? 32.060 -14.849 -69.311 1.00 47.41 ? 119 LEU O CD1 1 +ATOM 20232 C CD2 . LEU M 13 117 ? 31.091 -13.119 -70.886 1.00 54.50 ? 119 LEU O CD2 1 +ATOM 20233 N N . PHE M 13 118 ? 35.522 -11.708 -68.118 1.00 46.05 ? 120 PHE O N 1 +ATOM 20234 C CA . PHE M 13 118 ? 36.640 -11.045 -68.776 1.00 49.26 ? 120 PHE O CA 1 +ATOM 20235 C C . PHE M 13 118 ? 36.657 -11.430 -70.259 1.00 54.70 ? 120 PHE O C 1 +ATOM 20236 O O . PHE M 13 118 ? 36.832 -12.605 -70.588 1.00 50.30 ? 120 PHE O O 1 +ATOM 20237 C CB . PHE M 13 118 ? 37.942 -11.447 -68.090 1.00 42.66 ? 120 PHE O CB 1 +ATOM 20238 C CG . PHE M 13 118 ? 39.182 -11.025 -68.837 1.00 59.04 ? 120 PHE O CG 1 +ATOM 20239 C CD1 . PHE M 13 118 ? 39.298 -9.735 -69.337 1.00 54.12 ? 120 PHE O CD1 1 +ATOM 20240 C CD2 . PHE M 13 118 ? 40.245 -11.911 -69.010 1.00 58.40 ? 120 PHE O CD2 1 +ATOM 20241 C CE1 . PHE M 13 118 ? 40.444 -9.343 -70.028 1.00 58.63 ? 120 PHE O CE1 1 +ATOM 20242 C CE2 . PHE M 13 118 ? 41.387 -11.535 -69.696 1.00 53.83 ? 120 PHE O CE2 1 +ATOM 20243 C CZ . PHE M 13 118 ? 41.491 -10.243 -70.203 1.00 60.57 ? 120 PHE O CZ 1 +ATOM 20244 N N . THR M 13 119 ? 36.482 -10.464 -71.165 1.00 51.43 ? 121 THR O N 1 +ATOM 20245 C CA . THR M 13 119 ? 36.299 -10.868 -72.556 1.00 54.24 ? 121 THR O CA 1 +ATOM 20246 C C . THR M 13 119 ? 36.776 -9.789 -73.531 1.00 65.66 ? 121 THR O C 1 +ATOM 20247 O O . THR M 13 119 ? 36.937 -8.625 -73.168 1.00 51.73 ? 121 THR O O 1 +ATOM 20248 C CB . THR M 13 119 ? 34.823 -11.197 -72.838 1.00 47.14 ? 121 THR O CB 1 +ATOM 20249 O OG1 . THR M 13 119 ? 34.692 -11.788 -74.147 1.00 53.23 ? 121 THR O OG1 1 +ATOM 20250 C CG2 . THR M 13 119 ? 33.962 -9.933 -72.744 1.00 48.70 ? 121 THR O CG2 1 +ATOM 20251 N N . VAL M 13 120 ? 36.991 -10.197 -74.794 1.00 56.66 ? 122 VAL O N 1 +ATOM 20252 C CA . VAL M 13 120 ? 37.110 -9.240 -75.895 1.00 57.27 ? 122 VAL O CA 1 +ATOM 20253 C C . VAL M 13 120 ? 36.222 -9.670 -77.049 1.00 56.73 ? 122 VAL O C 1 +ATOM 20254 O O . VAL M 13 120 ? 36.568 -9.443 -78.211 1.00 56.01 ? 122 VAL O O 1 +ATOM 20255 C CB . VAL M 13 120 ? 38.562 -9.072 -76.392 1.00 51.29 ? 122 VAL O CB 1 +ATOM 20256 C CG1 . VAL M 13 120 ? 39.430 -8.375 -75.332 1.00 53.24 ? 122 VAL O CG1 1 +ATOM 20257 C CG2 . VAL M 13 120 ? 39.157 -10.395 -76.832 1.00 48.29 ? 122 VAL O CG2 1 +ATOM 20258 N N . LYS M 13 121 ? 35.084 -10.304 -76.751 1.00 54.97 ? 123 LYS O N 1 +ATOM 20259 C CA . LYS M 13 121 ? 34.219 -10.801 -77.820 1.00 51.60 ? 123 LYS O CA 1 +ATOM 20260 C C . LYS M 13 121 ? 33.862 -9.670 -78.780 1.00 58.83 ? 123 LYS O C 1 +ATOM 20261 O O . LYS M 13 121 ? 33.564 -8.551 -78.351 1.00 56.64 ? 123 LYS O O 1 +ATOM 20262 C CB . LYS M 13 121 ? 32.936 -11.413 -77.250 1.00 48.58 ? 123 LYS O CB 1 +ATOM 20263 C CG . LYS M 13 121 ? 33.101 -12.790 -76.627 1.00 50.85 ? 123 LYS O CG 1 +ATOM 20264 C CD . LYS M 13 121 ? 31.769 -13.311 -76.063 1.00 56.85 ? 123 LYS O CD 1 +ATOM 20265 C CE . LYS M 13 121 ? 31.845 -14.807 -75.708 1.00 52.20 ? 123 LYS O CE 1 +ATOM 20266 N NZ . LYS M 13 121 ? 32.451 -15.591 -76.840 1.00 51.47 ? 123 LYS O NZ 1 +ATOM 20267 N N . ASN M 13 122 ? 33.906 -9.975 -80.086 1.00 57.79 ? 124 ASN O N 1 +ATOM 20268 C CA . ASN M 13 122 ? 33.611 -9.026 -81.170 1.00 60.06 ? 124 ASN O CA 1 +ATOM 20269 C C . ASN M 13 122 ? 34.502 -7.791 -81.125 1.00 62.24 ? 124 ASN O C 1 +ATOM 20270 O O . ASN M 13 122 ? 34.068 -6.697 -81.489 1.00 63.71 ? 124 ASN O O 1 +ATOM 20271 C CB . ASN M 13 122 ? 32.142 -8.596 -81.168 1.00 57.21 ? 124 ASN O CB 1 +ATOM 20272 C CG . ASN M 13 122 ? 31.196 -9.768 -81.140 1.00 76.99 ? 124 ASN O CG 1 +ATOM 20273 O OD1 . ASN M 13 122 ? 30.254 -9.799 -80.348 1.00 85.09 ? 124 ASN O OD1 1 +ATOM 20274 N ND2 . ASN M 13 122 ? 31.454 -10.757 -81.986 1.00 63.72 ? 124 ASN O ND2 1 +ATOM 20275 N N . LEU M 13 123 ? 35.747 -7.948 -80.683 1.00 54.98 ? 125 LEU O N 1 +ATOM 20276 C CA . LEU M 13 123 ? 36.667 -6.820 -80.617 1.00 61.93 ? 125 LEU O CA 1 +ATOM 20277 C C . LEU M 13 123 ? 36.882 -6.202 -81.998 1.00 66.98 ? 125 LEU O C 1 +ATOM 20278 O O . LEU M 13 123 ? 37.112 -6.910 -82.990 1.00 63.43 ? 125 LEU O O 1 +ATOM 20279 C CB . LEU M 13 123 ? 38.003 -7.281 -80.038 1.00 59.27 ? 125 LEU O CB 1 +ATOM 20280 C CG . LEU M 13 123 ? 39.149 -6.273 -80.008 1.00 61.22 ? 125 LEU O CG 1 +ATOM 20281 C CD1 . LEU M 13 123 ? 38.785 -5.077 -79.170 1.00 59.35 ? 125 LEU O CD1 1 +ATOM 20282 C CD2 . LEU M 13 123 ? 40.380 -6.950 -79.464 1.00 62.18 ? 125 LEU O CD2 1 +ATOM 20283 N N . VAL M 13 124 ? 36.771 -4.880 -82.070 1.00 60.89 ? 126 VAL O N 1 +ATOM 20284 C CA . VAL M 13 124 ? 37.208 -4.108 -83.232 1.00 62.66 ? 126 VAL O CA 1 +ATOM 20285 C C . VAL M 13 124 ? 38.204 -3.096 -82.710 1.00 55.42 ? 126 VAL O C 1 +ATOM 20286 O O . VAL M 13 124 ? 37.872 -2.307 -81.823 1.00 65.63 ? 126 VAL O O 1 +ATOM 20287 C CB . VAL M 13 124 ? 36.035 -3.428 -83.956 1.00 67.91 ? 126 VAL O CB 1 +ATOM 20288 C CG1 . VAL M 13 124 ? 36.548 -2.495 -85.034 1.00 68.70 ? 126 VAL O CG1 1 +ATOM 20289 C CG2 . VAL M 13 124 ? 35.116 -4.481 -84.593 1.00 53.40 ? 126 VAL O CG2 1 +ATOM 20290 N N . ALA M 13 125 ? 39.432 -3.152 -83.200 1.00 61.53 ? 127 ALA O N 1 +ATOM 20291 C CA . ALA M 13 125 ? 40.490 -2.303 -82.668 1.00 69.34 ? 127 ALA O CA 1 +ATOM 20292 C C . ALA M 13 125 ? 41.287 -1.670 -83.803 1.00 70.23 ? 127 ALA O C 1 +ATOM 20293 O O . ALA M 13 125 ? 41.642 -2.342 -84.780 1.00 78.54 ? 127 ALA O O 1 +ATOM 20294 C CB . ALA M 13 125 ? 41.417 -3.091 -81.740 1.00 54.87 ? 127 ALA O CB 1 +ATOM 20295 N N . SER M 13 126 ? 41.564 -0.369 -83.671 1.00 81.06 ? 128 SER O N 1 +ATOM 20296 C CA . SER M 13 126 ? 42.183 0.414 -84.735 1.00 77.71 ? 128 SER O CA 1 +ATOM 20297 C C . SER M 13 126 ? 43.399 1.169 -84.214 1.00 74.06 ? 128 SER O C 1 +ATOM 20298 O O . SER M 13 126 ? 43.463 1.553 -83.043 1.00 70.77 ? 128 SER O O 1 +ATOM 20299 C CB . SER M 13 126 ? 41.186 1.404 -85.345 1.00 61.85 ? 128 SER O CB 1 +ATOM 20300 O OG . SER M 13 126 ? 40.130 0.719 -86.002 1.00 70.51 ? 128 SER O OG 1 +ATOM 20301 N N . THR M 13 127 ? 44.367 1.380 -85.097 1.00 75.33 ? 129 THR O N 1 +ATOM 20302 C CA . THR M 13 127 ? 45.503 2.236 -84.788 1.00 85.81 ? 129 THR O CA 1 +ATOM 20303 C C . THR M 13 127 ? 45.238 3.685 -85.221 1.00 77.12 ? 129 THR O C 1 +ATOM 20304 O O . THR M 13 127 ? 44.166 4.037 -85.725 1.00 70.31 ? 129 THR O O 1 +ATOM 20305 C CB . THR M 13 127 ? 46.768 1.718 -85.466 1.00 81.13 ? 129 THR O CB 1 +ATOM 20306 O OG1 . THR M 13 127 ? 46.567 1.711 -86.887 1.00 89.57 ? 129 THR O OG1 1 +ATOM 20307 C CG2 . THR M 13 127 ? 47.090 0.311 -84.992 1.00 80.95 ? 129 THR O CG2 1 +ATOM 20308 N N . GLN M 13 128 ? 46.237 4.541 -84.997 1.00 84.65 ? 130 GLN O N 1 +ATOM 20309 C CA . GLN M 13 128 ? 46.254 5.883 -85.563 1.00 76.74 ? 130 GLN O CA 1 +ATOM 20310 C C . GLN M 13 128 ? 46.549 5.800 -87.061 1.00 85.95 ? 130 GLN O C 1 +ATOM 20311 O O . GLN M 13 128 ? 47.046 4.777 -87.543 1.00 73.75 ? 130 GLN O O 1 +ATOM 20312 C CB . GLN M 13 128 ? 47.292 6.750 -84.845 1.00 78.71 ? 130 GLN O CB 1 +ATOM 20313 C CG . GLN M 13 128 ? 48.688 6.118 -84.687 1.00 106.60 ? 130 GLN O CG 1 +ATOM 20314 C CD . GLN M 13 128 ? 48.770 5.075 -83.555 1.00 121.48 ? 130 GLN O CD 1 +ATOM 20315 O OE1 . GLN M 13 128 ? 48.289 3.949 -83.707 1.00 84.20 ? 130 GLN O OE1 1 +ATOM 20316 N NE2 . GLN M 13 128 ? 49.382 5.451 -82.424 1.00 105.54 ? 130 GLN O NE2 1 +ATOM 20317 N N . PRO M 13 129 ? 46.229 6.849 -87.823 1.00 88.96 ? 131 PRO O N 1 +ATOM 20318 C CA . PRO M 13 129 ? 46.371 6.766 -89.282 1.00 83.39 ? 131 PRO O CA 1 +ATOM 20319 C C . PRO M 13 129 ? 47.820 6.668 -89.732 1.00 76.46 ? 131 PRO O C 1 +ATOM 20320 O O . PRO M 13 129 ? 48.762 6.912 -88.974 1.00 75.39 ? 131 PRO O O 1 +ATOM 20321 C CB . PRO M 13 129 ? 45.730 8.065 -89.779 1.00 77.58 ? 131 PRO O CB 1 +ATOM 20322 C CG . PRO M 13 129 ? 44.812 8.472 -88.679 1.00 87.95 ? 131 PRO O CG 1 +ATOM 20323 C CD . PRO M 13 129 ? 45.514 8.072 -87.421 1.00 78.22 ? 131 PRO O CD 1 +ATOM 20324 N N . ASN M 13 130 ? 47.973 6.264 -90.993 1.00 75.17 ? 132 ASN O N 1 +ATOM 20325 C CA . ASN M 13 130 ? 49.256 6.212 -91.697 1.00 100.76 ? 132 ASN O CA 1 +ATOM 20326 C C . ASN M 13 130 ? 50.297 5.428 -90.894 1.00 91.33 ? 132 ASN O C 1 +ATOM 20327 O O . ASN M 13 130 ? 51.265 5.967 -90.355 1.00 101.26 ? 132 ASN O O 1 +ATOM 20328 C CB . ASN M 13 130 ? 49.744 7.629 -92.027 1.00 112.78 ? 132 ASN O CB 1 +ATOM 20329 C CG . ASN M 13 130 ? 51.040 7.634 -92.823 1.00 149.33 ? 132 ASN O CG 1 +ATOM 20330 O OD1 . ASN M 13 130 ? 52.031 8.239 -92.407 1.00 171.25 ? 132 ASN O OD1 1 +ATOM 20331 N ND2 . ASN M 13 130 ? 51.045 6.942 -93.964 1.00 154.95 ? 132 ASN O ND2 1 +ATOM 20332 N N . VAL M 13 131 ? 50.060 4.124 -90.830 1.00 90.20 ? 133 VAL O N 1 +ATOM 20333 C CA . VAL M 13 131 ? 50.966 3.195 -90.166 1.00 94.91 ? 133 VAL O CA 1 +ATOM 20334 C C . VAL M 13 131 ? 51.719 2.488 -91.284 1.00 99.80 ? 133 VAL O C 1 +ATOM 20335 O O . VAL M 13 131 ? 51.246 1.508 -91.862 1.00 103.38 ? 133 VAL O O 1 +ATOM 20336 C CB . VAL M 13 131 ? 50.222 2.218 -89.256 1.00 99.51 ? 133 VAL O CB 1 +ATOM 20337 C CG1 . VAL M 13 131 ? 51.179 1.150 -88.715 1.00 99.83 ? 133 VAL O CG1 1 +ATOM 20338 C CG2 . VAL M 13 131 ? 49.562 2.966 -88.105 1.00 83.02 ? 133 VAL O CG2 1 +ATOM 20339 N N . THR M 13 132 ? 52.899 3.006 -91.621 1.00 94.17 ? 134 THR O N 1 +ATOM 20340 C CA . THR M 13 132 ? 53.698 2.325 -92.630 1.00 105.68 ? 134 THR O CA 1 +ATOM 20341 C C . THR M 13 132 ? 54.384 1.107 -92.040 1.00 91.20 ? 134 THR O C 1 +ATOM 20342 O O . THR M 13 132 ? 54.561 0.097 -92.731 1.00 92.15 ? 134 THR O O 1 +ATOM 20343 C CB . THR M 13 132 ? 54.727 3.275 -93.245 1.00 93.62 ? 134 THR O CB 1 +ATOM 20344 O OG1 . THR M 13 132 ? 55.748 3.580 -92.288 1.00 92.10 ? 134 THR O OG1 1 +ATOM 20345 C CG2 . THR M 13 132 ? 54.046 4.566 -93.707 1.00 86.46 ? 134 THR O CG2 1 +ATOM 20346 N N . SER M 13 133 ? 54.744 1.174 -90.764 1.00 85.36 ? 135 SER O N 1 +ATOM 20347 C CA . SER M 13 133 ? 55.300 0.037 -90.050 1.00 97.69 ? 135 SER O CA 1 +ATOM 20348 C C . SER M 13 133 ? 54.652 -0.064 -88.676 1.00 106.19 ? 135 SER O C 1 +ATOM 20349 O O . SER M 13 133 ? 54.393 0.952 -88.026 1.00 98.19 ? 135 SER O O 1 +ATOM 20350 C CB . SER M 13 133 ? 56.823 0.160 -89.893 1.00 94.72 ? 135 SER O CB 1 +ATOM 20351 O OG . SER M 13 133 ? 57.476 0.060 -91.144 1.00 100.20 ? 135 SER O OG 1 +ATOM 20352 N N . ILE M 13 134 ? 54.392 -1.290 -88.231 1.00 93.24 ? 136 ILE O N 1 +ATOM 20353 C CA . ILE M 13 134 ? 54.054 -1.488 -86.831 1.00 78.11 ? 136 ILE O CA 1 +ATOM 20354 C C . ILE M 13 134 ? 55.340 -1.350 -86.029 1.00 79.18 ? 136 ILE O C 1 +ATOM 20355 O O . ILE M 13 134 ? 56.334 -2.027 -86.314 1.00 74.44 ? 136 ILE O O 1 +ATOM 20356 C CB . ILE M 13 134 ? 53.388 -2.853 -86.617 1.00 97.71 ? 136 ILE O CB 1 +ATOM 20357 C CG1 . ILE M 13 134 ? 52.018 -2.867 -87.308 1.00 74.67 ? 136 ILE O CG1 1 +ATOM 20358 C CG2 . ILE M 13 134 ? 53.259 -3.164 -85.125 1.00 70.12 ? 136 ILE O CG2 1 +ATOM 20359 C CD1 . ILE M 13 134 ? 51.482 -4.229 -87.587 1.00 80.05 ? 136 ILE O CD1 1 +ATOM 20360 N N . THR M 13 135 ? 55.343 -0.437 -85.059 1.00 64.79 ? 137 THR O N 1 +ATOM 20361 C CA . THR M 13 135 ? 56.506 -0.155 -84.223 1.00 82.58 ? 137 THR O CA 1 +ATOM 20362 C C . THR M 13 135 ? 56.094 -0.044 -82.760 1.00 92.66 ? 137 THR O C 1 +ATOM 20363 O O . THR M 13 135 ? 54.907 -0.021 -82.429 1.00 79.74 ? 137 THR O O 1 +ATOM 20364 C CB . THR M 13 135 ? 57.216 1.150 -84.627 1.00 93.59 ? 137 THR O CB 1 +ATOM 20365 O OG1 . THR M 13 135 ? 56.333 2.251 -84.379 1.00 82.53 ? 137 THR O OG1 1 +ATOM 20366 C CG2 . THR M 13 135 ? 57.618 1.122 -86.091 1.00 75.92 ? 137 THR O CG2 1 +ATOM 20367 N N . THR M 13 136 ? 57.103 0.084 -81.893 1.00 77.11 ? 138 THR O N 1 +ATOM 20368 C CA . THR M 13 136 ? 56.889 0.152 -80.459 1.00 85.95 ? 138 THR O CA 1 +ATOM 20369 C C . THR M 13 136 ? 56.169 1.427 -80.053 1.00 79.46 ? 138 THR O C 1 +ATOM 20370 O O . THR M 13 136 ? 56.044 1.738 -78.872 1.00 98.32 ? 138 THR O O 1 +ATOM 20371 C CB . THR M 13 136 ? 58.214 0.052 -79.695 1.00 91.78 ? 138 THR O CB 1 +ATOM 20372 O OG1 . THR M 13 136 ? 59.078 1.123 -80.096 1.00 99.10 ? 138 THR O OG1 1 +ATOM 20373 C CG2 . THR M 13 136 ? 58.874 -1.272 -79.963 1.00 101.67 ? 138 THR O CG2 1 +ATOM 20374 N N . SER M 13 137 ? 55.695 2.190 -81.042 1.00 93.61 ? 139 SER O N 1 +ATOM 20375 C CA . SER M 13 137 ? 54.842 3.328 -80.787 1.00 87.20 ? 139 SER O CA 1 +ATOM 20376 C C . SER M 13 137 ? 53.484 3.182 -81.459 1.00 81.00 ? 139 SER O C 1 +ATOM 20377 O O . SER M 13 137 ? 52.668 4.111 -81.402 1.00 87.49 ? 139 SER O O 1 +ATOM 20378 C CB . SER M 13 137 ? 55.543 4.625 -81.227 1.00 97.99 ? 139 SER O CB 1 +ATOM 20379 O OG . SER M 13 137 ? 56.135 4.478 -82.500 1.00 114.09 ? 139 SER O OG 1 +ATOM 20380 N N . THR M 13 138 ? 53.216 2.039 -82.081 1.00 80.65 ? 140 THR O N 1 +ATOM 20381 C CA . THR M 13 138 ? 51.861 1.707 -82.503 1.00 86.78 ? 140 THR O CA 1 +ATOM 20382 C C . THR M 13 138 ? 50.966 1.450 -81.286 1.00 101.11 ? 140 THR O C 1 +ATOM 20383 O O . THR M 13 138 ? 51.410 0.922 -80.259 1.00 75.13 ? 140 THR O O 1 +ATOM 20384 C CB . THR M 13 138 ? 51.882 0.480 -83.407 1.00 78.92 ? 140 THR O CB 1 +ATOM 20385 O OG1 . THR M 13 138 ? 52.955 0.597 -84.349 1.00 77.97 ? 140 THR O OG1 1 +ATOM 20386 C CG2 . THR M 13 138 ? 50.572 0.351 -84.167 1.00 95.49 ? 140 THR O CG2 1 +ATOM 20387 N N . ASP M 13 139 ? 49.704 1.858 -81.391 1.00 79.14 ? 141 ASP O N 1 +ATOM 20388 C CA . ASP M 13 139 ? 48.723 1.624 -80.347 1.00 74.15 ? 141 ASP O CA 1 +ATOM 20389 C C . ASP M 13 139 ? 47.424 1.189 -80.998 1.00 80.02 ? 141 ASP O C 1 +ATOM 20390 O O . ASP M 13 139 ? 47.034 1.728 -82.034 1.00 79.29 ? 141 ASP O O 1 +ATOM 20391 C CB . ASP M 13 139 ? 48.448 2.869 -79.486 1.00 83.05 ? 141 ASP O CB 1 +ATOM 20392 C CG . ASP M 13 139 ? 49.648 3.301 -78.666 1.00 104.36 ? 141 ASP O CG 1 +ATOM 20393 O OD1 . ASP M 13 139 ? 49.810 4.528 -78.453 1.00 109.97 ? 141 ASP O OD1 1 +ATOM 20394 O OD2 . ASP M 13 139 ? 50.432 2.424 -78.241 1.00 83.99 ? 141 ASP O OD2 1 +ATOM 20395 N N . PHE M 13 140 ? 46.757 0.213 -80.390 1.00 76.43 ? 142 PHE O N 1 +ATOM 20396 C CA . PHE M 13 140 ? 45.417 -0.178 -80.796 1.00 67.03 ? 142 PHE O CA 1 +ATOM 20397 C C . PHE M 13 140 ? 44.420 0.260 -79.734 1.00 68.40 ? 142 PHE O C 1 +ATOM 20398 O O . PHE M 13 140 ? 44.663 0.089 -78.535 1.00 73.23 ? 142 PHE O O 1 +ATOM 20399 C CB . PHE M 13 140 ? 45.312 -1.680 -80.993 1.00 68.64 ? 142 PHE O CB 1 +ATOM 20400 C CG . PHE M 13 140 ? 45.996 -2.196 -82.220 1.00 62.78 ? 142 PHE O CG 1 +ATOM 20401 C CD1 . PHE M 13 140 ? 47.317 -2.606 -82.167 1.00 65.59 ? 142 PHE O CD1 1 +ATOM 20402 C CD2 . PHE M 13 140 ? 45.296 -2.337 -83.408 1.00 64.01 ? 142 PHE O CD2 1 +ATOM 20403 C CE1 . PHE M 13 140 ? 47.936 -3.124 -83.292 1.00 69.85 ? 142 PHE O CE1 1 +ATOM 20404 C CE2 . PHE M 13 140 ? 45.898 -2.854 -84.526 1.00 66.58 ? 142 PHE O CE2 1 +ATOM 20405 C CZ . PHE M 13 140 ? 47.227 -3.248 -84.473 1.00 64.58 ? 142 PHE O CZ 1 +ATOM 20406 N N . LYS M 13 141 ? 43.305 0.827 -80.177 1.00 67.03 ? 143 LYS O N 1 +ATOM 20407 C CA . LYS M 13 141 ? 42.214 1.218 -79.301 1.00 65.49 ? 143 LYS O CA 1 +ATOM 20408 C C . LYS M 13 141 ? 40.922 0.678 -79.889 1.00 64.67 ? 143 LYS O C 1 +ATOM 20409 O O . LYS M 13 141 ? 40.707 0.769 -81.098 1.00 61.37 ? 143 LYS O O 1 +ATOM 20410 C CB . LYS M 13 141 ? 42.139 2.747 -79.132 1.00 73.17 ? 143 LYS O CB 1 +ATOM 20411 C CG . LYS M 13 141 ? 42.955 3.274 -77.942 1.00 98.31 ? 143 LYS O CG 1 +ATOM 20412 C CD . LYS M 13 141 ? 42.483 4.654 -77.494 1.00 115.28 ? 143 LYS O CD 1 +ATOM 20413 C CE . LYS M 13 141 ? 42.556 4.824 -75.967 1.00 130.06 ? 143 LYS O CE 1 +ATOM 20414 N NZ . LYS M 13 141 ? 43.945 4.795 -75.411 1.00 115.09 ? 143 LYS O NZ 1 +ATOM 20415 N N . GLY M 13 142 ? 40.077 0.086 -79.044 1.00 65.13 ? 144 GLY O N 1 +ATOM 20416 C CA . GLY M 13 142 ? 38.890 -0.546 -79.584 1.00 65.65 ? 144 GLY O CA 1 +ATOM 20417 C C . GLY M 13 142 ? 37.805 -0.824 -78.565 1.00 58.84 ? 144 GLY O C 1 +ATOM 20418 O O . GLY M 13 142 ? 37.952 -0.573 -77.369 1.00 62.14 ? 144 GLY O O 1 +ATOM 20419 N N . GLU M 13 143 ? 36.692 -1.344 -79.077 1.00 61.57 ? 145 GLU O N 1 +ATOM 20420 C CA . GLU M 13 143 ? 35.526 -1.725 -78.298 1.00 69.04 ? 145 GLU O CA 1 +ATOM 20421 C C . GLU M 13 143 ? 35.234 -3.202 -78.504 1.00 57.29 ? 145 GLU O C 1 +ATOM 20422 O O . GLU M 13 143 ? 35.602 -3.791 -79.520 1.00 57.52 ? 145 GLU O O 1 +ATOM 20423 C CB . GLU M 13 143 ? 34.285 -0.941 -78.703 1.00 63.69 ? 145 GLU O CB 1 +ATOM 20424 C CG . GLU M 13 143 ? 34.227 0.476 -78.225 1.00 90.27 ? 145 GLU O CG 1 +ATOM 20425 C CD . GLU M 13 143 ? 32.946 1.133 -78.667 1.00 100.33 ? 145 GLU O CD 1 +ATOM 20426 O OE1 . GLU M 13 143 ? 32.322 0.614 -79.623 1.00 99.06 ? 145 GLU O OE1 1 +ATOM 20427 O OE2 . GLU M 13 143 ? 32.556 2.143 -78.050 1.00 118.98 ? 145 GLU O OE2 1 +ATOM 20428 N N . PHE M 13 144 ? 34.511 -3.775 -77.545 1.00 61.22 ? 146 PHE O N 1 +ATOM 20429 C CA . PHE M 13 144 ? 34.112 -5.173 -77.603 1.00 57.85 ? 146 PHE O CA 1 +ATOM 20430 C C . PHE M 13 144 ? 32.778 -5.334 -76.877 1.00 62.89 ? 146 PHE O C 1 +ATOM 20431 O O . PHE M 13 144 ? 32.289 -4.407 -76.224 1.00 61.53 ? 146 PHE O O 1 +ATOM 20432 C CB . PHE M 13 144 ? 35.208 -6.072 -77.023 1.00 49.59 ? 146 PHE O CB 1 +ATOM 20433 C CG . PHE M 13 144 ? 35.622 -5.708 -75.631 1.00 61.26 ? 146 PHE O CG 1 +ATOM 20434 C CD1 . PHE M 13 144 ? 36.708 -4.869 -75.413 1.00 60.52 ? 146 PHE O CD1 1 +ATOM 20435 C CD2 . PHE M 13 144 ? 34.928 -6.210 -74.526 1.00 59.85 ? 146 PHE O CD2 1 +ATOM 20436 C CE1 . PHE M 13 144 ? 37.088 -4.523 -74.108 1.00 58.75 ? 146 PHE O CE1 1 +ATOM 20437 C CE2 . PHE M 13 144 ? 35.301 -5.883 -73.221 1.00 49.88 ? 146 PHE O CE2 1 +ATOM 20438 C CZ . PHE M 13 144 ? 36.379 -5.041 -73.009 1.00 64.44 ? 146 PHE O CZ 1 +ATOM 20439 N N . ASN M 13 145 ? 32.171 -6.512 -77.037 1.00 59.20 ? 147 ASN O N 1 +ATOM 20440 C CA . ASN M 13 145 ? 30.907 -6.860 -76.392 1.00 60.14 ? 147 ASN O CA 1 +ATOM 20441 C C . ASN M 13 145 ? 31.149 -7.613 -75.096 1.00 54.39 ? 147 ASN O C 1 +ATOM 20442 O O . ASN M 13 145 ? 32.065 -8.430 -75.007 1.00 51.85 ? 147 ASN O O 1 +ATOM 20443 C CB . ASN M 13 145 ? 30.038 -7.736 -77.284 1.00 66.31 ? 147 ASN O CB 1 +ATOM 20444 C CG . ASN M 13 145 ? 29.525 -6.997 -78.487 1.00 69.71 ? 147 ASN O CG 1 +ATOM 20445 O OD1 . ASN M 13 145 ? 29.368 -5.788 -78.452 1.00 64.26 ? 147 ASN O OD1 1 +ATOM 20446 N ND2 . ASN M 13 145 ? 29.256 -7.727 -79.562 1.00 74.15 ? 147 ASN O ND2 1 +ATOM 20447 N N . VAL M 13 146 ? 30.312 -7.351 -74.104 1.00 50.86 ? 148 VAL O N 1 +ATOM 20448 C CA . VAL M 13 146 ? 30.298 -8.096 -72.853 1.00 53.41 ? 148 VAL O CA 1 +ATOM 20449 C C . VAL M 13 146 ? 28.896 -8.641 -72.652 1.00 50.91 ? 148 VAL O C 1 +ATOM 20450 O O . VAL M 13 146 ? 28.005 -7.934 -72.174 1.00 52.33 ? 148 VAL O O 1 +ATOM 20451 C CB . VAL M 13 146 ? 30.728 -7.233 -71.655 1.00 59.26 ? 148 VAL O CB 1 +ATOM 20452 C CG1 . VAL M 13 146 ? 30.811 -8.122 -70.384 1.00 48.34 ? 148 VAL O CG1 1 +ATOM 20453 C CG2 . VAL M 13 146 ? 32.062 -6.529 -71.944 1.00 49.30 ? 148 VAL O CG2 1 +ATOM 20454 N N . PRO M 13 147 ? 28.655 -9.887 -73.044 1.00 51.54 ? 149 PRO O N 1 +ATOM 20455 C CA . PRO M 13 147 ? 27.349 -10.505 -72.799 1.00 55.77 ? 149 PRO O CA 1 +ATOM 20456 C C . PRO M 13 147 ? 27.196 -10.879 -71.331 1.00 54.12 ? 149 PRO O C 1 +ATOM 20457 O O . PRO M 13 147 ? 28.146 -10.877 -70.541 1.00 52.79 ? 149 PRO O O 1 +ATOM 20458 C CB . PRO M 13 147 ? 27.372 -11.741 -73.696 1.00 53.31 ? 149 PRO O CB 1 +ATOM 20459 C CG . PRO M 13 147 ? 28.832 -12.096 -73.786 1.00 57.27 ? 149 PRO O CG 1 +ATOM 20460 C CD . PRO M 13 147 ? 29.618 -10.823 -73.657 1.00 50.29 ? 149 PRO O CD 1 +ATOM 20461 N N . SER M 13 148 ? 25.958 -11.176 -70.966 1.00 52.22 ? 150 SER O N 1 +ATOM 20462 C CA . SER M 13 148 ? 25.658 -11.608 -69.608 1.00 49.73 ? 150 SER O CA 1 +ATOM 20463 C C . SER M 13 148 ? 26.604 -12.721 -69.156 1.00 46.97 ? 150 SER O C 1 +ATOM 20464 O O . SER M 13 148 ? 26.973 -13.607 -69.930 1.00 46.39 ? 150 SER O O 1 +ATOM 20465 C CB . SER M 13 148 ? 24.206 -12.075 -69.535 1.00 55.14 ? 150 SER O CB 1 +ATOM 20466 O OG . SER M 13 148 ? 23.912 -12.585 -68.263 1.00 57.00 ? 150 SER O OG 1 +ATOM 20467 N N . TYR M 13 149 ? 27.015 -12.647 -67.889 1.00 46.77 ? 151 TYR O N 1 +ATOM 20468 C CA . TYR M 13 149 ? 27.957 -13.616 -67.338 1.00 47.78 ? 151 TYR O CA 1 +ATOM 20469 C C . TYR M 13 149 ? 27.367 -15.027 -67.331 1.00 54.95 ? 151 TYR O C 1 +ATOM 20470 O O . TYR M 13 149 ? 28.067 -16.008 -67.638 1.00 45.63 ? 151 TYR O O 1 +ATOM 20471 C CB . TYR M 13 149 ? 28.342 -13.156 -65.936 1.00 48.29 ? 151 TYR O CB 1 +ATOM 20472 C CG . TYR M 13 149 ? 29.214 -14.047 -65.088 1.00 50.20 ? 151 TYR O CG 1 +ATOM 20473 C CD1 . TYR M 13 149 ? 30.602 -14.046 -65.236 1.00 41.64 ? 151 TYR O CD1 1 +ATOM 20474 C CD2 . TYR M 13 149 ? 28.652 -14.810 -64.059 1.00 44.89 ? 151 TYR O CD2 1 +ATOM 20475 C CE1 . TYR M 13 149 ? 31.407 -14.817 -64.417 1.00 45.71 ? 151 TYR O CE1 1 +ATOM 20476 C CE2 . TYR M 13 149 ? 29.441 -15.584 -63.230 1.00 47.22 ? 151 TYR O CE2 1 +ATOM 20477 C CZ . TYR M 13 149 ? 30.814 -15.593 -63.417 1.00 49.26 ? 151 TYR O CZ 1 +ATOM 20478 O OH . TYR M 13 149 ? 31.592 -16.357 -62.584 1.00 47.99 ? 151 TYR O OH 1 +ATOM 20479 N N A ARG M 13 150 ? 26.088 -15.145 -66.980 0.40 50.17 ? 152 ARG O N 1 +ATOM 20480 N N B ARG M 13 150 ? 26.097 -15.161 -66.965 0.60 50.24 ? 152 ARG O N 1 +ATOM 20481 C CA A ARG M 13 150 ? 25.345 -16.394 -67.121 0.40 53.51 ? 152 ARG O CA 1 +ATOM 20482 C CA B ARG M 13 150 ? 25.371 -16.408 -67.153 0.60 53.55 ? 152 ARG O CA 1 +ATOM 20483 C C A ARG M 13 150 ? 24.508 -16.304 -68.388 0.40 56.39 ? 152 ARG O C 1 +ATOM 20484 C C B ARG M 13 150 ? 24.550 -16.293 -68.431 0.60 56.55 ? 152 ARG O C 1 +ATOM 20485 O O A ARG M 13 150 ? 23.984 -15.230 -68.708 0.40 51.56 ? 152 ARG O O 1 +ATOM 20486 O O B ARG M 13 150 ? 24.081 -15.208 -68.786 0.60 51.86 ? 152 ARG O O 1 +ATOM 20487 C CB A ARG M 13 150 ? 24.422 -16.641 -65.913 0.40 49.54 ? 152 ARG O CB 1 +ATOM 20488 C CB B ARG M 13 150 ? 24.446 -16.718 -65.960 0.60 49.66 ? 152 ARG O CB 1 +ATOM 20489 C CG A ARG M 13 150 ? 25.055 -16.454 -64.536 0.40 43.52 ? 152 ARG O CG 1 +ATOM 20490 C CG B ARG M 13 150 ? 25.061 -16.514 -64.576 0.60 43.41 ? 152 ARG O CG 1 +ATOM 20491 C CD A ARG M 13 150 ? 26.141 -17.496 -64.188 0.40 44.88 ? 152 ARG O CD 1 +ATOM 20492 C CD B ARG M 13 150 ? 26.214 -17.472 -64.248 0.60 44.76 ? 152 ARG O CD 1 +ATOM 20493 N NE A ARG M 13 150 ? 26.351 -17.537 -62.742 0.40 47.22 ? 152 ARG O NE 1 +ATOM 20494 N NE B ARG M 13 150 ? 26.420 -17.533 -62.800 0.60 47.40 ? 152 ARG O NE 1 +ATOM 20495 C CZ A ARG M 13 150 ? 27.210 -18.331 -62.110 0.40 49.69 ? 152 ARG O CZ 1 +ATOM 20496 C CZ B ARG M 13 150 ? 27.263 -18.348 -62.174 0.60 49.88 ? 152 ARG O CZ 1 +ATOM 20497 N NH1 A ARG M 13 150 ? 28.038 -19.129 -62.772 0.40 42.63 ? 152 ARG O NH1 1 +ATOM 20498 N NH1 B ARG M 13 150 ? 28.046 -19.186 -62.838 0.60 42.50 ? 152 ARG O NH1 1 +ATOM 20499 N NH2 A ARG M 13 150 ? 27.238 -18.325 -60.779 0.40 41.88 ? 152 ARG O NH2 1 +ATOM 20500 N NH2 B ARG M 13 150 ? 27.316 -18.327 -60.843 0.60 41.86 ? 152 ARG O NH2 1 +ATOM 20501 N N . THR M 13 151 ? 24.379 -17.413 -69.130 1.00 50.12 ? 153 THR O N 1 +ATOM 20502 C CA . THR M 13 151 ? 23.552 -17.374 -70.331 1.00 51.28 ? 153 THR O CA 1 +ATOM 20503 C C . THR M 13 151 ? 22.134 -17.824 -69.979 1.00 48.09 ? 153 THR O C 1 +ATOM 20504 O O . THR M 13 151 ? 21.822 -18.102 -68.819 1.00 50.06 ? 153 THR O O 1 +ATOM 20505 C CB . THR M 13 151 ? 24.163 -18.162 -71.505 1.00 53.24 ? 153 THR O CB 1 +ATOM 20506 O OG1 . THR M 13 151 ? 24.043 -19.581 -71.316 1.00 47.15 ? 153 THR O OG1 1 +ATOM 20507 C CG2 . THR M 13 151 ? 25.640 -17.753 -71.737 1.00 45.08 ? 153 THR O CG2 1 +ATOM 20508 N N . ALA M 13 152 ? 21.254 -17.859 -70.988 1.00 47.00 ? 154 ALA O N 1 +ATOM 20509 C CA . ALA M 13 152 ? 19.813 -17.830 -70.728 1.00 46.51 ? 154 ALA O CA 1 +ATOM 20510 C C . ALA M 13 152 ? 19.294 -19.049 -69.961 1.00 50.44 ? 154 ALA O C 1 +ATOM 20511 O O . ALA M 13 152 ? 18.254 -18.947 -69.295 1.00 48.52 ? 154 ALA O O 1 +ATOM 20512 C CB . ALA M 13 152 ? 19.058 -17.689 -72.049 1.00 45.37 ? 154 ALA O CB 1 +ATOM 20513 N N A ASN M 13 153 ? 19.981 -20.182 -70.042 0.40 44.35 ? 155 ASN O N 1 +ATOM 20514 N N B ASN M 13 153 ? 19.985 -20.192 -70.044 0.60 44.33 ? 155 ASN O N 1 +ATOM 20515 C CA A ASN M 13 153 ? 19.533 -21.405 -69.370 0.40 42.65 ? 155 ASN O CA 1 +ATOM 20516 C CA B ASN M 13 153 ? 19.577 -21.442 -69.401 0.60 42.53 ? 155 ASN O CA 1 +ATOM 20517 C C A ASN M 13 153 ? 19.859 -21.449 -67.889 0.40 47.74 ? 155 ASN O C 1 +ATOM 20518 C C B ASN M 13 153 ? 19.920 -21.505 -67.923 0.60 47.74 ? 155 ASN O C 1 +ATOM 20519 O O A ASN M 13 153 ? 19.344 -22.333 -67.193 0.40 49.88 ? 155 ASN O O 1 +ATOM 20520 O O B ASN M 13 153 ? 19.471 -22.437 -67.247 0.60 49.93 ? 155 ASN O O 1 +ATOM 20521 C CB A ASN M 13 153 ? 20.161 -22.647 -69.997 0.40 43.89 ? 155 ASN O CB 1 +ATOM 20522 C CB B ASN M 13 153 ? 20.243 -22.648 -70.071 0.60 43.82 ? 155 ASN O CB 1 +ATOM 20523 C CG A ASN M 13 153 ? 19.513 -23.043 -71.305 0.40 52.87 ? 155 ASN O CG 1 +ATOM 20524 C CG B ASN M 13 153 ? 19.537 -23.086 -71.336 0.60 53.04 ? 155 ASN O CG 1 +ATOM 20525 O OD1 A ASN M 13 153 ? 18.593 -22.383 -71.790 0.40 54.29 ? 155 ASN O OD1 1 +ATOM 20526 O OD1 B ASN M 13 153 ? 18.533 -22.496 -71.739 0.60 54.56 ? 155 ASN O OD1 1 +ATOM 20527 N ND2 A ASN M 13 153 ? 20.012 -24.121 -71.900 0.40 51.46 ? 155 ASN O ND2 1 +ATOM 20528 N ND2 B ASN M 13 153 ? 20.078 -24.113 -71.990 0.60 51.51 ? 155 ASN O ND2 1 +ATOM 20529 N N A PHE M 13 154 ? 20.705 -20.549 -67.394 0.40 48.69 ? 156 PHE O N 1 +ATOM 20530 N N B PHE M 13 154 ? 20.717 -20.568 -67.416 0.60 48.74 ? 156 PHE O N 1 +ATOM 20531 C CA A PHE M 13 154 ? 21.182 -20.643 -66.022 0.40 47.42 ? 156 PHE O CA 1 +ATOM 20532 C CA B PHE M 13 154 ? 21.184 -20.653 -66.042 0.60 47.38 ? 156 PHE O CA 1 +ATOM 20533 C C A PHE M 13 154 ? 20.031 -20.519 -65.016 0.40 50.55 ? 156 PHE O C 1 +ATOM 20534 C C B PHE M 13 154 ? 20.013 -20.557 -65.062 0.60 50.71 ? 156 PHE O C 1 +ATOM 20535 O O A PHE M 13 154 ? 19.208 -19.604 -65.095 0.40 47.61 ? 156 PHE O O 1 +ATOM 20536 O O B PHE M 13 154 ? 19.143 -19.690 -65.188 0.60 47.89 ? 156 PHE O O 1 +ATOM 20537 C CB A PHE M 13 154 ? 22.237 -19.565 -65.780 0.40 43.75 ? 156 PHE O CB 1 +ATOM 20538 C CB B PHE M 13 154 ? 22.209 -19.552 -65.780 0.60 43.61 ? 156 PHE O CB 1 +ATOM 20539 C CG A PHE M 13 154 ? 22.882 -19.643 -64.421 0.40 47.75 ? 156 PHE O CG 1 +ATOM 20540 C CG B PHE M 13 154 ? 22.869 -19.651 -64.439 0.60 47.80 ? 156 PHE O CG 1 +ATOM 20541 C CD1 A PHE M 13 154 ? 23.971 -20.475 -64.200 0.40 52.12 ? 156 PHE O CD1 1 +ATOM 20542 C CD1 B PHE M 13 154 ? 23.982 -20.459 -64.254 0.60 52.28 ? 156 PHE O CD1 1 +ATOM 20543 C CD2 A PHE M 13 154 ? 22.374 -18.916 -63.359 0.40 47.88 ? 156 PHE O CD2 1 +ATOM 20544 C CD2 B PHE M 13 154 ? 22.364 -18.951 -63.354 0.60 47.86 ? 156 PHE O CD2 1 +ATOM 20545 C CE1 A PHE M 13 154 ? 24.557 -20.560 -62.937 0.40 46.27 ? 156 PHE O CE1 1 +ATOM 20546 C CE1 B PHE M 13 154 ? 24.580 -20.556 -62.999 0.60 46.30 ? 156 PHE O CE1 1 +ATOM 20547 C CE2 A PHE M 13 154 ? 22.961 -18.982 -62.089 0.40 48.48 ? 156 PHE O CE2 1 +ATOM 20548 C CE2 B PHE M 13 154 ? 22.961 -19.039 -62.111 0.60 48.51 ? 156 PHE O CE2 1 +ATOM 20549 C CZ A PHE M 13 154 ? 24.050 -19.803 -61.885 0.40 48.52 ? 156 PHE O CZ 1 +ATOM 20550 C CZ B PHE M 13 154 ? 24.065 -19.839 -61.934 0.60 48.53 ? 156 PHE O CZ 1 +ATOM 20551 N N A LEU M 13 155 ? 19.984 -21.436 -64.054 0.40 49.89 ? 157 LEU O N 1 +ATOM 20552 N N B LEU M 13 155 ? 19.989 -21.467 -64.091 0.60 50.04 ? 157 LEU O N 1 +ATOM 20553 C CA A LEU M 13 155 ? 18.921 -21.482 -63.050 0.40 44.35 ? 157 LEU O CA 1 +ATOM 20554 C CA B LEU M 13 155 ? 18.938 -21.535 -63.082 0.60 44.41 ? 157 LEU O CA 1 +ATOM 20555 C C A LEU M 13 155 ? 19.453 -20.999 -61.709 0.40 45.85 ? 157 LEU O C 1 +ATOM 20556 C C B LEU M 13 155 ? 19.491 -21.082 -61.740 0.60 45.82 ? 157 LEU O C 1 +ATOM 20557 O O A LEU M 13 155 ? 20.508 -21.462 -61.264 0.40 46.25 ? 157 LEU O O 1 +ATOM 20558 O O B LEU M 13 155 ? 20.524 -21.590 -61.290 0.60 46.19 ? 157 LEU O O 1 +ATOM 20559 C CB A LEU M 13 155 ? 18.371 -22.906 -62.923 0.40 40.98 ? 157 LEU O CB 1 +ATOM 20560 C CB B LEU M 13 155 ? 18.392 -22.960 -62.965 0.60 40.83 ? 157 LEU O CB 1 +ATOM 20561 C CG A LEU M 13 155 ? 17.714 -23.446 -64.190 0.40 43.24 ? 157 LEU O CG 1 +ATOM 20562 C CG B LEU M 13 155 ? 17.665 -23.545 -64.175 0.60 43.09 ? 157 LEU O CG 1 +ATOM 20563 C CD1 A LEU M 13 155 ? 17.338 -24.903 -64.024 0.40 46.76 ? 157 LEU O CD1 1 +ATOM 20564 C CD1 B LEU M 13 155 ? 17.200 -24.941 -63.865 0.60 46.48 ? 157 LEU O CD1 1 +ATOM 20565 C CD2 A LEU M 13 155 ? 16.473 -22.617 -64.563 0.40 42.65 ? 157 LEU O CD2 1 +ATOM 20566 C CD2 B LEU M 13 155 ? 16.478 -22.669 -64.571 0.60 42.59 ? 157 LEU O CD2 1 +ATOM 20567 N N A ASP M 13 156 ? 18.734 -20.070 -61.063 0.40 44.24 ? 158 ASP O N 1 +ATOM 20568 N N B ASP M 13 156 ? 18.797 -20.146 -61.094 0.60 44.30 ? 158 ASP O N 1 +ATOM 20569 C CA A ASP M 13 156 ? 19.170 -19.593 -59.751 0.40 48.00 ? 158 ASP O CA 1 +ATOM 20570 C CA B ASP M 13 156 ? 19.218 -19.667 -59.787 0.60 47.97 ? 158 ASP O CA 1 +ATOM 20571 C C A ASP M 13 156 ? 18.843 -20.663 -58.695 0.40 48.77 ? 158 ASP O C 1 +ATOM 20572 C C B ASP M 13 156 ? 18.861 -20.721 -58.731 0.60 49.02 ? 158 ASP O C 1 +ATOM 20573 O O A ASP M 13 156 ? 18.263 -21.719 -59.022 0.40 43.44 ? 158 ASP O O 1 +ATOM 20574 O O B ASP M 13 156 ? 18.254 -21.758 -59.052 0.60 43.22 ? 158 ASP O O 1 +ATOM 20575 C CB A ASP M 13 156 ? 18.597 -18.183 -59.485 0.40 43.64 ? 158 ASP O CB 1 +ATOM 20576 C CB B ASP M 13 156 ? 18.641 -18.255 -59.556 0.60 43.71 ? 158 ASP O CB 1 +ATOM 20577 C CG A ASP M 13 156 ? 17.143 -18.164 -58.968 0.40 46.99 ? 158 ASP O CG 1 +ATOM 20578 C CG B ASP M 13 156 ? 17.197 -18.227 -59.021 0.60 47.25 ? 158 ASP O CG 1 +ATOM 20579 O OD1 A ASP M 13 156 ? 16.507 -19.207 -58.712 0.40 46.11 ? 158 ASP O OD1 1 +ATOM 20580 O OD1 B ASP M 13 156 ? 16.576 -19.280 -58.731 0.60 46.13 ? 158 ASP O OD1 1 +ATOM 20581 O OD2 A ASP M 13 156 ? 16.630 -17.041 -58.804 0.40 42.09 ? 158 ASP O OD2 1 +ATOM 20582 O OD2 B ASP M 13 156 ? 16.688 -17.092 -58.872 0.60 41.96 ? 158 ASP O OD2 1 +ATOM 20583 N N A PRO M 13 157 ? 19.264 -20.458 -57.432 0.40 42.85 ? 159 PRO O N 1 +ATOM 20584 N N B PRO M 13 157 ? 19.281 -20.526 -57.468 0.60 42.91 ? 159 PRO O N 1 +ATOM 20585 C CA A PRO M 13 157 ? 19.109 -21.528 -56.427 0.40 42.29 ? 159 PRO O CA 1 +ATOM 20586 C CA B PRO M 13 157 ? 19.108 -21.593 -56.469 0.60 42.13 ? 159 PRO O CA 1 +ATOM 20587 C C A PRO M 13 157 ? 17.677 -21.884 -56.113 0.40 45.28 ? 159 PRO O C 1 +ATOM 20588 C C B PRO M 13 157 ? 17.670 -21.916 -56.135 0.60 45.38 ? 159 PRO O C 1 +ATOM 20589 O O A PRO M 13 157 ? 17.450 -22.951 -55.530 0.40 44.57 ? 159 PRO O O 1 +ATOM 20590 O O B PRO M 13 157 ? 17.434 -22.962 -55.512 0.60 44.69 ? 159 PRO O O 1 +ATOM 20591 C CB A PRO M 13 157 ? 19.818 -20.955 -55.187 0.40 43.55 ? 159 PRO O CB 1 +ATOM 20592 C CB B PRO M 13 157 ? 19.842 -21.048 -55.235 0.60 43.66 ? 159 PRO O CB 1 +ATOM 20593 C CG A PRO M 13 157 ? 20.853 -20.036 -55.768 0.40 41.58 ? 159 PRO O CG 1 +ATOM 20594 C CG B PRO M 13 157 ? 20.853 -20.105 -55.798 0.60 41.51 ? 159 PRO O CG 1 +ATOM 20595 C CD A PRO M 13 157 ? 20.120 -19.375 -56.897 0.40 42.55 ? 159 PRO O CD 1 +ATOM 20596 C CD B PRO M 13 157 ? 20.143 -19.451 -56.938 0.60 42.58 ? 159 PRO O CD 1 +ATOM 20597 N N . LYS M 13 158 ? 16.708 -21.071 -56.500 1.00 43.09 ? 160 LYS O N 1 +ATOM 20598 C CA . LYS M 13 158 ? 15.311 -21.396 -56.293 1.00 42.65 ? 160 LYS O CA 1 +ATOM 20599 C C . LYS M 13 158 ? 14.652 -21.903 -57.565 1.00 44.12 ? 160 LYS O C 1 +ATOM 20600 O O . LYS M 13 158 ? 13.425 -22.001 -57.610 1.00 50.94 ? 160 LYS O O 1 +ATOM 20601 C CB . LYS M 13 158 ? 14.561 -20.185 -55.729 1.00 38.76 ? 160 LYS O CB 1 +ATOM 20602 C CG . LYS M 13 158 ? 14.882 -19.906 -54.250 1.00 47.04 ? 160 LYS O CG 1 +ATOM 20603 C CD . LYS M 13 158 ? 14.753 -21.164 -53.351 1.00 47.86 ? 160 LYS O CD 1 +ATOM 20604 C CE . LYS M 13 158 ? 13.340 -21.779 -53.394 1.00 42.41 ? 160 LYS O CE 1 +ATOM 20605 N NZ . LYS M 13 158 ? 13.209 -22.928 -52.441 1.00 44.48 ? 160 LYS O NZ 1 +ATOM 20606 N N . GLY M 13 159 ? 15.443 -22.211 -58.599 1.00 43.90 ? 161 GLY O N 1 +ATOM 20607 C CA . GLY M 13 159 ? 14.950 -22.776 -59.843 1.00 44.29 ? 161 GLY O CA 1 +ATOM 20608 C C . GLY M 13 159 ? 14.419 -21.777 -60.852 1.00 51.28 ? 161 GLY O C 1 +ATOM 20609 O O . GLY M 13 159 ? 13.771 -22.187 -61.826 1.00 44.03 ? 161 GLY O O 1 +ATOM 20610 N N . ARG M 13 160 ? 14.669 -20.479 -60.659 1.00 46.99 ? 162 ARG O N 1 +ATOM 20611 C CA . ARG M 13 160 ? 14.195 -19.451 -61.577 1.00 45.13 ? 162 ARG O CA 1 +ATOM 20612 C C . ARG M 13 160 ? 15.241 -19.165 -62.649 1.00 43.68 ? 162 ARG O C 1 +ATOM 20613 O O . ARG M 13 160 ? 16.450 -19.195 -62.386 1.00 54.12 ? 162 ARG O O 1 +ATOM 20614 C CB . ARG M 13 160 ? 13.873 -18.180 -60.795 1.00 47.02 ? 162 ARG O CB 1 +ATOM 20615 C CG . ARG M 13 160 ? 12.829 -18.360 -59.700 1.00 48.35 ? 162 ARG O CG 1 +ATOM 20616 C CD . ARG M 13 160 ? 12.701 -17.082 -58.865 1.00 51.08 ? 162 ARG O CD 1 +ATOM 20617 N NE . ARG M 13 160 ? 13.924 -16.858 -58.100 1.00 44.71 ? 162 ARG O NE 1 +ATOM 20618 C CZ . ARG M 13 160 ? 14.023 -16.067 -57.043 1.00 49.99 ? 162 ARG O CZ 1 +ATOM 20619 N NH1 . ARG M 13 160 ? 13.003 -15.323 -56.631 1.00 42.74 ? 162 ARG O NH1 1 +ATOM 20620 N NH2 . ARG M 13 160 ? 15.171 -16.034 -56.371 1.00 48.66 ? 162 ARG O NH2 1 +ATOM 20621 N N . GLY M 13 161 ? 14.780 -18.907 -63.865 1.00 43.20 ? 163 GLY O N 1 +ATOM 20622 C CA . GLY M 13 161 ? 15.703 -18.570 -64.929 1.00 42.10 ? 163 GLY O CA 1 +ATOM 20623 C C . GLY M 13 161 ? 15.010 -17.819 -66.044 1.00 48.00 ? 163 GLY O C 1 +ATOM 20624 O O . GLY M 13 161 ? 13.827 -17.478 -65.956 1.00 46.00 ? 163 GLY O O 1 +ATOM 20625 N N . LEU M 13 162 ? 15.763 -17.589 -67.115 1.00 52.33 ? 164 LEU O N 1 +ATOM 20626 C CA . LEU M 13 162 ? 15.264 -16.798 -68.246 1.00 48.94 ? 164 LEU O CA 1 +ATOM 20627 C C . LEU M 13 162 ? 14.619 -17.698 -69.298 1.00 52.82 ? 164 LEU O C 1 +ATOM 20628 O O . LEU M 13 162 ? 13.405 -17.633 -69.520 1.00 46.35 ? 164 LEU O O 1 +ATOM 20629 C CB . LEU M 13 162 ? 16.405 -15.972 -68.834 1.00 51.78 ? 164 LEU O CB 1 +ATOM 20630 C CG . LEU M 13 162 ? 16.132 -15.111 -70.066 1.00 60.40 ? 164 LEU O CG 1 +ATOM 20631 C CD1 . LEU M 13 162 ? 14.821 -14.340 -69.916 1.00 46.73 ? 164 LEU O CD1 1 +ATOM 20632 C CD2 . LEU M 13 162 ? 17.319 -14.190 -70.291 1.00 49.20 ? 164 LEU O CD2 1 +ATOM 20633 N N . ALA M 13 163 ? 15.430 -18.530 -69.965 1.00 41.84 ? 165 ALA O N 1 +ATOM 20634 C CA . ALA M 13 163 ? 14.911 -19.448 -70.974 1.00 48.36 ? 165 ALA O CA 1 +ATOM 20635 C C . ALA M 13 163 ? 14.409 -20.751 -70.362 1.00 55.57 ? 165 ALA O C 1 +ATOM 20636 O O . ALA M 13 163 ? 13.797 -21.570 -71.060 1.00 46.43 ? 165 ALA O O 1 +ATOM 20637 C CB . ALA M 13 163 ? 15.985 -19.750 -72.021 1.00 44.03 ? 165 ALA O CB 1 +ATOM 20638 N N . SER M 13 164 ? 14.653 -20.956 -69.073 1.00 48.04 ? 166 SER O N 1 +ATOM 20639 C CA . SER M 13 164 ? 14.150 -22.123 -68.387 1.00 48.39 ? 166 SER O CA 1 +ATOM 20640 C C . SER M 13 164 ? 13.889 -21.717 -66.950 1.00 53.04 ? 166 SER O C 1 +ATOM 20641 O O . SER M 13 164 ? 14.282 -20.630 -66.523 1.00 54.40 ? 166 SER O O 1 +ATOM 20642 C CB . SER M 13 164 ? 15.140 -23.283 -68.517 1.00 44.94 ? 166 SER O CB 1 +ATOM 20643 O OG . SER M 13 164 ? 14.598 -24.445 -67.932 1.00 62.05 ? 166 SER O OG 1 +ATOM 20644 N N . GLY M 13 165 ? 13.186 -22.574 -66.207 1.00 49.55 ? 167 GLY O N 1 +ATOM 20645 C CA . GLY M 13 165 ? 13.004 -22.371 -64.781 1.00 43.64 ? 167 GLY O CA 1 +ATOM 20646 C C . GLY M 13 165 ? 11.636 -21.833 -64.432 1.00 46.76 ? 167 GLY O C 1 +ATOM 20647 O O . GLY M 13 165 ? 10.811 -21.510 -65.288 1.00 44.76 ? 167 GLY O O 1 +ATOM 20648 N N . TYR M 13 166 ? 11.405 -21.734 -63.126 1.00 44.32 ? 168 TYR O N 1 +ATOM 20649 C CA . TYR M 13 166 ? 10.171 -21.148 -62.623 1.00 46.44 ? 168 TYR O CA 1 +ATOM 20650 C C . TYR M 13 166 ? 10.151 -19.643 -62.875 1.00 49.10 ? 168 TYR O C 1 +ATOM 20651 O O . TYR M 13 166 ? 11.193 -18.986 -62.957 1.00 50.22 ? 168 TYR O O 1 +ATOM 20652 C CB . TYR M 13 166 ? 10.031 -21.388 -61.116 1.00 44.60 ? 168 TYR O CB 1 +ATOM 20653 C CG . TYR M 13 166 ? 10.179 -22.811 -60.641 1.00 44.14 ? 168 TYR O CG 1 +ATOM 20654 C CD1 . TYR M 13 166 ? 9.254 -23.788 -61.005 1.00 45.73 ? 168 TYR O CD1 1 +ATOM 20655 C CD2 . TYR M 13 166 ? 11.202 -23.165 -59.748 1.00 45.56 ? 168 TYR O CD2 1 +ATOM 20656 C CE1 . TYR M 13 166 ? 9.361 -25.098 -60.537 1.00 45.86 ? 168 TYR O CE1 1 +ATOM 20657 C CE2 . TYR M 13 166 ? 11.323 -24.485 -59.264 1.00 44.61 ? 168 TYR O CE2 1 +ATOM 20658 C CZ . TYR M 13 166 ? 10.402 -25.438 -59.674 1.00 44.82 ? 168 TYR O CZ 1 +ATOM 20659 O OH . TYR M 13 166 ? 10.494 -26.724 -59.223 1.00 51.23 ? 168 TYR O OH 1 +ATOM 20660 N N . ASP M 13 167 ? 8.955 -19.080 -62.959 1.00 42.95 ? 169 ASP O N 1 +ATOM 20661 C CA . ASP M 13 167 ? 8.836 -17.638 -63.118 1.00 43.81 ? 169 ASP O CA 1 +ATOM 20662 C C . ASP M 13 167 ? 8.347 -16.957 -61.850 1.00 54.98 ? 169 ASP O C 1 +ATOM 20663 O O . ASP M 13 167 ? 7.967 -15.786 -61.900 1.00 52.50 ? 169 ASP O O 1 +ATOM 20664 C CB . ASP M 13 167 ? 7.910 -17.289 -64.281 1.00 44.63 ? 169 ASP O CB 1 +ATOM 20665 C CG . ASP M 13 167 ? 6.464 -17.695 -64.026 1.00 55.08 ? 169 ASP O CG 1 +ATOM 20666 O OD1 . ASP M 13 167 ? 6.176 -18.325 -63.006 1.00 61.80 ? 169 ASP O OD1 1 +ATOM 20667 O OD2 . ASP M 13 167 ? 5.594 -17.372 -64.850 1.00 70.54 ? 169 ASP O OD2 1 +ATOM 20668 N N . SER M 13 168 ? 8.308 -17.668 -60.724 1.00 51.48 ? 170 SER O N 1 +ATOM 20669 C CA . SER M 13 168 ? 7.855 -17.057 -59.488 1.00 52.32 ? 170 SER O CA 1 +ATOM 20670 C C . SER M 13 168 ? 8.641 -17.669 -58.342 1.00 54.33 ? 170 SER O C 1 +ATOM 20671 O O . SER M 13 168 ? 9.417 -18.610 -58.536 1.00 47.26 ? 170 SER O O 1 +ATOM 20672 C CB . SER M 13 168 ? 6.345 -17.234 -59.295 1.00 46.53 ? 170 SER O CB 1 +ATOM 20673 O OG . SER M 13 168 ? 6.027 -18.588 -59.128 1.00 58.55 ? 170 SER O OG 1 +ATOM 20674 N N . ALA M 13 169 ? 8.438 -17.110 -57.145 1.00 43.46 ? 171 ALA O N 1 +ATOM 20675 C CA . ALA M 13 169 ? 9.028 -17.642 -55.920 1.00 54.66 ? 171 ALA O CA 1 +ATOM 20676 C C . ALA M 13 169 ? 8.060 -18.691 -55.375 1.00 47.75 ? 171 ALA O C 1 +ATOM 20677 O O . ALA M 13 169 ? 7.129 -18.384 -54.629 1.00 49.49 ? 171 ALA O O 1 +ATOM 20678 C CB . ALA M 13 169 ? 9.295 -16.523 -54.911 1.00 43.30 ? 171 ALA O CB 1 +ATOM 20679 N N . ILE M 13 170 ? 8.279 -19.950 -55.754 1.00 43.10 ? 172 ILE O N 1 +ATOM 20680 C CA . ILE M 13 170 ? 7.282 -20.975 -55.464 1.00 49.13 ? 172 ILE O CA 1 +ATOM 20681 C C . ILE M 13 170 ? 7.254 -21.351 -53.991 1.00 52.63 ? 172 ILE O C 1 +ATOM 20682 O O . ILE M 13 170 ? 6.279 -21.952 -53.532 1.00 50.72 ? 172 ILE O O 1 +ATOM 20683 C CB . ILE M 13 170 ? 7.523 -22.236 -56.312 1.00 50.57 ? 172 ILE O CB 1 +ATOM 20684 C CG1 . ILE M 13 170 ? 8.854 -22.896 -55.924 1.00 43.19 ? 172 ILE O CG1 1 +ATOM 20685 C CG2 . ILE M 13 170 ? 7.454 -21.885 -57.796 1.00 44.09 ? 172 ILE O CG2 1 +ATOM 20686 C CD1 . ILE M 13 170 ? 8.950 -24.343 -56.355 1.00 41.30 ? 172 ILE O CD1 1 +ATOM 20687 N N . ALA M 13 171 ? 8.308 -21.035 -53.236 1.00 42.50 ? 173 ALA O N 1 +ATOM 20688 C CA . ALA M 13 171 ? 8.316 -21.352 -51.819 1.00 43.58 ? 173 ALA O CA 1 +ATOM 20689 C C . ALA M 13 171 ? 7.470 -20.388 -51.005 1.00 46.92 ? 173 ALA O C 1 +ATOM 20690 O O . ALA M 13 171 ? 7.213 -20.661 -49.828 1.00 46.62 ? 173 ALA O O 1 +ATOM 20691 C CB . ALA M 13 171 ? 9.754 -21.379 -51.293 1.00 41.16 ? 173 ALA O CB 1 +ATOM 20692 N N . LEU M 13 172 ? 7.023 -19.273 -51.594 1.00 46.59 ? 174 LEU O N 1 +ATOM 20693 C CA . LEU M 13 172 ? 6.226 -18.262 -50.894 1.00 46.83 ? 174 LEU O CA 1 +ATOM 20694 C C . LEU M 13 172 ? 4.915 -18.094 -51.658 1.00 54.39 ? 174 LEU O C 1 +ATOM 20695 O O . LEU M 13 172 ? 4.676 -17.052 -52.285 1.00 48.44 ? 174 LEU O O 1 +ATOM 20696 C CB . LEU M 13 172 ? 6.978 -16.937 -50.796 1.00 43.47 ? 174 LEU O CB 1 +ATOM 20697 C CG . LEU M 13 172 ? 8.393 -16.947 -50.220 1.00 46.91 ? 174 LEU O CG 1 +ATOM 20698 C CD1 . LEU M 13 172 ? 9.053 -15.575 -50.440 1.00 55.52 ? 174 LEU O CD1 1 +ATOM 20699 C CD2 . LEU M 13 172 ? 8.355 -17.252 -48.741 1.00 46.80 ? 174 LEU O CD2 1 +ATOM 20700 N N . PRO M 13 173 ? 4.031 -19.097 -51.607 1.00 52.41 ? 175 PRO O N 1 +ATOM 20701 C CA . PRO M 13 173 ? 2.953 -19.163 -52.610 1.00 49.25 ? 175 PRO O CA 1 +ATOM 20702 C C . PRO M 13 173 ? 1.967 -18.006 -52.555 1.00 51.06 ? 175 PRO O C 1 +ATOM 20703 O O . PRO M 13 173 ? 1.369 -17.679 -53.584 1.00 50.94 ? 175 PRO O O 1 +ATOM 20704 C CB . PRO M 13 173 ? 2.279 -20.514 -52.311 1.00 46.94 ? 175 PRO O CB 1 +ATOM 20705 C CG . PRO M 13 173 ? 2.697 -20.870 -50.908 1.00 49.84 ? 175 PRO O CG 1 +ATOM 20706 C CD . PRO M 13 173 ? 4.057 -20.284 -50.729 1.00 45.90 ? 175 PRO O CD 1 +ATOM 20707 N N . GLN M 13 174 ? 1.783 -17.358 -51.409 1.00 43.32 ? 176 GLN O N 1 +ATOM 20708 C CA . GLN M 13 174 ? 0.849 -16.245 -51.319 1.00 45.73 ? 176 GLN O CA 1 +ATOM 20709 C C . GLN M 13 174 ? 1.543 -14.938 -50.952 1.00 54.67 ? 176 GLN O C 1 +ATOM 20710 O O . GLN M 13 174 ? 0.885 -14.000 -50.495 1.00 49.25 ? 176 GLN O O 1 +ATOM 20711 C CB . GLN M 13 174 ? -0.282 -16.568 -50.339 1.00 43.73 ? 176 GLN O CB 1 +ATOM 20712 C CG . GLN M 13 174 ? -1.352 -17.516 -50.920 1.00 46.81 ? 176 GLN O CG 1 +ATOM 20713 C CD . GLN M 13 174 ? -2.234 -16.855 -51.988 1.00 63.76 ? 176 GLN O CD 1 +ATOM 20714 O OE1 . GLN M 13 174 ? -1.738 -16.291 -52.970 1.00 50.09 ? 176 GLN O OE1 1 +ATOM 20715 N NE2 . GLN M 13 174 ? -3.550 -16.920 -51.789 1.00 48.46 ? 176 GLN O NE2 1 +ATOM 20716 N N . ALA M 13 175 ? 2.855 -14.849 -51.149 1.00 46.84 ? 177 ALA O N 1 +ATOM 20717 C CA . ALA M 13 175 ? 3.522 -13.571 -50.970 1.00 53.68 ? 177 ALA O CA 1 +ATOM 20718 C C . ALA M 13 175 ? 3.154 -12.622 -52.115 1.00 57.22 ? 177 ALA O C 1 +ATOM 20719 O O . ALA M 13 175 ? 2.739 -13.045 -53.191 1.00 53.10 ? 177 ALA O O 1 +ATOM 20720 C CB . ALA M 13 175 ? 5.036 -13.759 -50.895 1.00 48.46 ? 177 ALA O CB 1 +ATOM 20721 N N . LYS M 13 176 ? 3.289 -11.320 -51.876 1.00 60.62 ? 178 LYS O N 1 +ATOM 20722 C CA . LYS M 13 176 ? 3.004 -10.344 -52.929 1.00 59.30 ? 178 LYS O CA 1 +ATOM 20723 C C . LYS M 13 176 ? 4.148 -10.321 -53.940 1.00 53.64 ? 178 LYS O C 1 +ATOM 20724 O O . LYS M 13 176 ? 5.308 -10.150 -53.565 1.00 65.01 ? 178 LYS O O 1 +ATOM 20725 C CB . LYS M 13 176 ? 2.760 -8.963 -52.319 1.00 71.40 ? 178 LYS O CB 1 +ATOM 20726 C CG . LYS M 13 176 ? 1.334 -8.818 -51.799 1.00 66.55 ? 178 LYS O CG 1 +ATOM 20727 C CD . LYS M 13 176 ? 0.973 -7.379 -51.480 1.00 87.46 ? 178 LYS O CD 1 +ATOM 20728 C CE . LYS M 13 176 ? -0.547 -7.222 -51.393 1.00 100.26 ? 178 LYS O CE 1 +ATOM 20729 N NZ . LYS M 13 176 ? -1.192 -8.253 -50.508 1.00 83.21 ? 178 LYS O NZ 1 +ATOM 20730 N N A GLU M 13 177 ? 3.806 -10.487 -55.228 0.50 68.89 ? 179 GLU O N 1 +ATOM 20731 N N B GLU M 13 177 ? 3.826 -10.516 -55.215 0.50 68.87 ? 179 GLU O N 1 +ATOM 20732 C CA A GLU M 13 177 ? 4.792 -10.722 -56.277 0.50 74.49 ? 179 GLU O CA 1 +ATOM 20733 C CA B GLU M 13 177 ? 4.883 -10.714 -56.200 0.50 74.39 ? 179 GLU O CA 1 +ATOM 20734 C C A GLU M 13 177 ? 5.550 -9.457 -56.677 0.50 76.85 ? 179 GLU O C 1 +ATOM 20735 C C B GLU M 13 177 ? 5.642 -9.429 -56.503 0.50 76.72 ? 179 GLU O C 1 +ATOM 20736 O O A GLU M 13 177 ? 6.690 -9.551 -57.146 0.50 64.75 ? 179 GLU O O 1 +ATOM 20737 O O B GLU M 13 177 ? 6.850 -9.482 -56.764 0.50 65.64 ? 179 GLU O O 1 +ATOM 20738 C CB A GLU M 13 177 ? 4.103 -11.317 -57.509 0.50 74.64 ? 179 GLU O CB 1 +ATOM 20739 C CB B GLU M 13 177 ? 4.305 -11.290 -57.490 0.50 74.46 ? 179 GLU O CB 1 +ATOM 20740 C CG A GLU M 13 177 ? 3.302 -12.601 -57.249 0.50 76.79 ? 179 GLU O CG 1 +ATOM 20741 C CG B GLU M 13 177 ? 3.905 -12.743 -57.387 0.50 76.81 ? 179 GLU O CG 1 +ATOM 20742 C CD A GLU M 13 177 ? 2.164 -12.794 -58.248 0.50 75.49 ? 179 GLU O CD 1 +ATOM 20743 C CD B GLU M 13 177 ? 3.802 -13.402 -58.745 0.50 82.73 ? 179 GLU O CD 1 +ATOM 20744 O OE1 A GLU M 13 177 ? 1.737 -11.784 -58.845 0.50 78.86 ? 179 GLU O OE1 1 +ATOM 20745 O OE1 B GLU M 13 177 ? 3.147 -12.825 -59.646 0.50 78.94 ? 179 GLU O OE1 1 +ATOM 20746 O OE2 A GLU M 13 177 ? 1.694 -13.944 -58.433 0.50 85.51 ? 179 GLU O OE2 1 +ATOM 20747 O OE2 B GLU M 13 177 ? 4.391 -14.491 -58.910 0.50 72.51 ? 179 GLU O OE2 1 +ATOM 20748 N N . GLU M 13 178 ? 4.962 -8.277 -56.474 1.00 66.13 ? 180 GLU O N 1 +ATOM 20749 C CA . GLU M 13 178 ? 5.589 -7.038 -56.939 1.00 74.61 ? 180 GLU O CA 1 +ATOM 20750 C C . GLU M 13 178 ? 6.902 -6.772 -56.214 1.00 71.16 ? 180 GLU O C 1 +ATOM 20751 O O . GLU M 13 178 ? 7.860 -6.263 -56.806 1.00 70.10 ? 180 GLU O O 1 +ATOM 20752 C CB . GLU M 13 178 ? 4.630 -5.848 -56.755 1.00 73.28 ? 180 GLU O CB 1 +ATOM 20753 C CG . GLU M 13 178 ? 3.149 -6.163 -57.051 1.00 89.53 ? 180 GLU O CG 1 +ATOM 20754 C CD . GLU M 13 178 ? 2.391 -6.719 -55.827 1.00 105.63 ? 180 GLU O CD 1 +ATOM 20755 O OE1 . GLU M 13 178 ? 2.216 -5.959 -54.839 1.00 89.77 ? 180 GLU O OE1 1 +ATOM 20756 O OE2 . GLU M 13 178 ? 1.981 -7.915 -55.854 1.00 90.52 ? 180 GLU O OE2 1 +ATOM 20757 N N . GLU M 13 179 ? 6.974 -7.144 -54.942 1.00 62.92 ? 181 GLU O N 1 +ATOM 20758 C CA . GLU M 13 179 ? 8.192 -6.922 -54.179 1.00 76.00 ? 181 GLU O CA 1 +ATOM 20759 C C . GLU M 13 179 ? 9.342 -7.788 -54.684 1.00 73.51 ? 181 GLU O C 1 +ATOM 20760 O O . GLU M 13 179 ? 10.509 -7.399 -54.569 1.00 66.11 ? 181 GLU O O 1 +ATOM 20761 C CB . GLU M 13 179 ? 7.893 -7.171 -52.699 1.00 67.28 ? 181 GLU O CB 1 +ATOM 20762 C CG . GLU M 13 179 ? 6.700 -6.328 -52.214 1.00 101.47 ? 181 GLU O CG 1 +ATOM 20763 C CD . GLU M 13 179 ? 6.127 -6.759 -50.854 1.00 137.51 ? 181 GLU O CD 1 +ATOM 20764 O OE1 . GLU M 13 179 ? 6.623 -7.756 -50.273 1.00 118.22 ? 181 GLU O OE1 1 +ATOM 20765 O OE2 . GLU M 13 179 ? 5.174 -6.094 -50.368 1.00 123.61 ? 181 GLU O OE2 1 +ATOM 20766 N N . LEU M 13 180 ? 9.038 -8.943 -55.282 1.00 64.22 ? 182 LEU O N 1 +ATOM 20767 C CA . LEU M 13 180 ? 10.057 -9.878 -55.724 1.00 49.20 ? 182 LEU O CA 1 +ATOM 20768 C C . LEU M 13 180 ? 10.347 -9.797 -57.225 1.00 51.94 ? 182 LEU O C 1 +ATOM 20769 O O . LEU M 13 180 ? 11.067 -10.647 -57.750 1.00 49.01 ? 182 LEU O O 1 +ATOM 20770 C CB . LEU M 13 180 ? 9.644 -11.291 -55.327 1.00 50.17 ? 182 LEU O CB 1 +ATOM 20771 C CG . LEU M 13 180 ? 9.543 -11.514 -53.814 1.00 59.49 ? 182 LEU O CG 1 +ATOM 20772 C CD1 . LEU M 13 180 ? 8.920 -12.858 -53.498 1.00 54.05 ? 182 LEU O CD1 1 +ATOM 20773 C CD2 . LEU M 13 180 ? 10.901 -11.392 -53.117 1.00 53.19 ? 182 LEU O CD2 1 +ATOM 20774 N N . ALA M 13 181 ? 9.849 -8.775 -57.925 1.00 52.37 ? 183 ALA O N 1 +ATOM 20775 C CA . ALA M 13 181 ? 9.938 -8.800 -59.385 1.00 55.96 ? 183 ALA O CA 1 +ATOM 20776 C C . ALA M 13 181 ? 11.385 -8.786 -59.865 1.00 53.55 ? 183 ALA O C 1 +ATOM 20777 O O . ALA M 13 181 ? 11.730 -9.456 -60.843 1.00 55.28 ? 183 ALA O O 1 +ATOM 20778 C CB . ALA M 13 181 ? 9.163 -7.632 -59.990 1.00 55.18 ? 183 ALA O CB 1 +ATOM 20779 N N . ARG M 13 182 ? 12.252 -8.046 -59.188 1.00 52.12 ? 184 ARG O N 1 +ATOM 20780 C CA . ARG M 13 182 ? 13.614 -7.936 -59.691 1.00 53.85 ? 184 ARG O CA 1 +ATOM 20781 C C . ARG M 13 182 ? 14.345 -9.269 -59.621 1.00 57.65 ? 184 ARG O C 1 +ATOM 20782 O O . ARG M 13 182 ? 15.235 -9.534 -60.438 1.00 49.27 ? 184 ARG O O 1 +ATOM 20783 C CB . ARG M 13 182 ? 14.385 -6.865 -58.916 1.00 59.66 ? 184 ARG O CB 1 +ATOM 20784 C CG . ARG M 13 182 ? 15.679 -6.490 -59.625 1.00 80.74 ? 184 ARG O CG 1 +ATOM 20785 C CD . ARG M 13 182 ? 16.331 -5.235 -59.073 1.00 87.51 ? 184 ARG O CD 1 +ATOM 20786 N NE . ARG M 13 182 ? 17.529 -4.953 -59.855 1.00 89.08 ? 184 ARG O NE 1 +ATOM 20787 C CZ . ARG M 13 182 ? 18.307 -3.889 -59.710 1.00 100.79 ? 184 ARG O CZ 1 +ATOM 20788 N NH1 . ARG M 13 182 ? 18.049 -2.957 -58.801 1.00 106.64 ? 184 ARG O NH1 1 +ATOM 20789 N NH2 . ARG M 13 182 ? 19.368 -3.755 -60.503 1.00 96.14 ? 184 ARG O NH2 1 +ATOM 20790 N N . ALA M 13 183 ? 13.981 -10.120 -58.666 1.00 49.40 ? 185 ALA O N 1 +ATOM 20791 C CA . ALA M 13 183 ? 14.620 -11.427 -58.558 1.00 54.61 ? 185 ALA O CA 1 +ATOM 20792 C C . ALA M 13 183 ? 13.908 -12.509 -59.366 1.00 47.95 ? 185 ALA O C 1 +ATOM 20793 O O . ALA M 13 183 ? 14.550 -13.478 -59.779 1.00 53.94 ? 185 ALA O O 1 +ATOM 20794 C CB . ALA M 13 183 ? 14.721 -11.841 -57.085 1.00 41.30 ? 185 ALA O CB 1 +ATOM 20795 N N . ASN M 13 184 ? 12.604 -12.362 -59.615 1.00 47.88 ? 186 ASN O N 1 +ATOM 20796 C CA . ASN M 13 184 ? 11.848 -13.375 -60.353 1.00 45.89 ? 186 ASN O CA 1 +ATOM 20797 C C . ASN M 13 184 ? 12.048 -13.283 -61.866 1.00 50.30 ? 186 ASN O C 1 +ATOM 20798 O O . ASN M 13 184 ? 12.026 -14.314 -62.552 1.00 59.00 ? 186 ASN O O 1 +ATOM 20799 C CB . ASN M 13 184 ? 10.349 -13.252 -60.043 1.00 50.86 ? 186 ASN O CB 1 +ATOM 20800 C CG . ASN M 13 184 ? 9.979 -13.815 -58.673 1.00 49.23 ? 186 ASN O CG 1 +ATOM 20801 O OD1 . ASN M 13 184 ? 10.717 -14.600 -58.094 1.00 52.75 ? 186 ASN O OD1 1 +ATOM 20802 N ND2 . ASN M 13 184 ? 8.827 -13.431 -58.167 1.00 49.69 ? 186 ASN O ND2 1 +ATOM 20803 N N . VAL M 13 185 ? 12.214 -12.076 -62.399 1.00 50.84 ? 187 VAL O N 1 +ATOM 20804 C CA . VAL M 13 185 ? 12.283 -11.833 -63.839 1.00 49.67 ? 187 VAL O CA 1 +ATOM 20805 C C . VAL M 13 185 ? 13.756 -11.677 -64.196 1.00 50.54 ? 187 VAL O C 1 +ATOM 20806 O O . VAL M 13 185 ? 14.370 -10.656 -63.886 1.00 54.70 ? 187 VAL O O 1 +ATOM 20807 C CB . VAL M 13 185 ? 11.463 -10.592 -64.243 1.00 49.39 ? 187 VAL O CB 1 +ATOM 20808 C CG1 . VAL M 13 185 ? 11.540 -10.328 -65.765 1.00 49.44 ? 187 VAL O CG1 1 +ATOM 20809 C CG2 . VAL M 13 185 ? 10.010 -10.750 -63.803 1.00 45.13 ? 187 VAL O CG2 1 +ATOM 20810 N N . LYS M 13 186 ? 14.336 -12.685 -64.835 1.00 49.32 ? 188 LYS O N 1 +ATOM 20811 C CA . LYS M 13 186 ? 15.742 -12.624 -65.207 1.00 53.40 ? 188 LYS O CA 1 +ATOM 20812 C C . LYS M 13 186 ? 15.913 -11.745 -66.444 1.00 54.68 ? 188 LYS O C 1 +ATOM 20813 O O . LYS M 13 186 ? 15.061 -11.731 -67.332 1.00 50.86 ? 188 LYS O O 1 +ATOM 20814 C CB . LYS M 13 186 ? 16.276 -14.040 -65.468 1.00 49.01 ? 188 LYS O CB 1 +ATOM 20815 C CG . LYS M 13 186 ? 15.987 -15.037 -64.320 1.00 48.80 ? 188 LYS O CG 1 +ATOM 20816 C CD . LYS M 13 186 ? 16.387 -14.438 -62.996 1.00 49.60 ? 188 LYS O CD 1 +ATOM 20817 C CE . LYS M 13 186 ? 16.458 -15.476 -61.864 1.00 51.19 ? 188 LYS O CE 1 +ATOM 20818 N NZ . LYS M 13 186 ? 16.891 -14.853 -60.583 1.00 42.51 ? 188 LYS O NZ 1 +ATOM 20819 N N . ARG M 13 187 ? 17.012 -11.001 -66.498 1.00 54.45 ? 189 ARG O N 1 +ATOM 20820 C CA . ARG M 13 187 ? 17.299 -10.131 -67.631 1.00 49.93 ? 189 ARG O CA 1 +ATOM 20821 C C . ARG M 13 187 ? 18.705 -10.402 -68.128 1.00 59.85 ? 189 ARG O C 1 +ATOM 20822 O O . ARG M 13 187 ? 19.621 -10.653 -67.340 1.00 56.94 ? 189 ARG O O 1 +ATOM 20823 C CB . ARG M 13 187 ? 17.142 -8.651 -67.273 1.00 52.01 ? 189 ARG O CB 1 +ATOM 20824 C CG . ARG M 13 187 ? 15.684 -8.250 -67.180 1.00 65.31 ? 189 ARG O CG 1 +ATOM 20825 C CD . ARG M 13 187 ? 15.533 -6.871 -66.615 1.00 74.17 ? 189 ARG O CD 1 +ATOM 20826 N NE . ARG M 13 187 ? 15.946 -6.821 -65.217 1.00 76.47 ? 189 ARG O NE 1 +ATOM 20827 C CZ . ARG M 13 187 ? 16.382 -5.724 -64.613 1.00 95.08 ? 189 ARG O CZ 1 +ATOM 20828 N NH1 . ARG M 13 187 ? 16.484 -4.571 -65.264 1.00 90.42 ? 189 ARG O NH1 1 +ATOM 20829 N NH2 . ARG M 13 187 ? 16.736 -5.785 -63.331 1.00 70.89 ? 189 ARG O NH2 1 +ATOM 20830 N N . PHE M 13 188 ? 18.864 -10.372 -69.439 1.00 49.46 ? 190 PHE O N 1 +ATOM 20831 C CA . PHE M 13 188 ? 20.122 -10.704 -70.083 1.00 53.89 ? 190 PHE O CA 1 +ATOM 20832 C C . PHE M 13 188 ? 20.747 -9.385 -70.529 1.00 60.12 ? 190 PHE O C 1 +ATOM 20833 O O . PHE M 13 188 ? 20.217 -8.709 -71.412 1.00 57.42 ? 190 PHE O O 1 +ATOM 20834 C CB . PHE M 13 188 ? 19.876 -11.650 -71.262 1.00 53.19 ? 190 PHE O CB 1 +ATOM 20835 C CG . PHE M 13 188 ? 21.127 -12.253 -71.845 1.00 57.03 ? 190 PHE O CG 1 +ATOM 20836 C CD1 . PHE M 13 188 ? 22.023 -11.474 -72.580 1.00 48.52 ? 190 PHE O CD1 1 +ATOM 20837 C CD2 . PHE M 13 188 ? 21.391 -13.610 -71.680 1.00 51.60 ? 190 PHE O CD2 1 +ATOM 20838 C CE1 . PHE M 13 188 ? 23.173 -12.035 -73.114 1.00 55.10 ? 190 PHE O CE1 1 +ATOM 20839 C CE2 . PHE M 13 188 ? 22.538 -14.192 -72.221 1.00 53.34 ? 190 PHE O CE2 1 +ATOM 20840 C CZ . PHE M 13 188 ? 23.435 -13.402 -72.932 1.00 54.92 ? 190 PHE O CZ 1 +ATOM 20841 N N . SER M 13 189 ? 21.848 -8.997 -69.911 1.00 56.85 ? 191 SER O N 1 +ATOM 20842 C CA . SER M 13 189 ? 22.443 -7.743 -70.339 1.00 60.57 ? 191 SER O CA 1 +ATOM 20843 C C . SER M 13 189 ? 23.488 -7.994 -71.417 1.00 63.13 ? 191 SER O C 1 +ATOM 20844 O O . SER M 13 189 ? 24.062 -9.082 -71.538 1.00 62.48 ? 191 SER O O 1 +ATOM 20845 C CB . SER M 13 189 ? 23.082 -7.004 -69.172 1.00 64.66 ? 191 SER O CB 1 +ATOM 20846 O OG . SER M 13 189 ? 24.230 -7.715 -68.743 1.00 78.31 ? 191 SER O OG 1 +ATOM 20847 N N . LEU M 13 190 ? 23.702 -6.966 -72.223 1.00 61.61 ? 192 LEU O N 1 +ATOM 20848 C CA . LEU M 13 190 ? 24.778 -6.929 -73.197 1.00 57.74 ? 192 LEU O CA 1 +ATOM 20849 C C . LEU M 13 190 ? 25.317 -5.506 -73.179 1.00 62.23 ? 192 LEU O C 1 +ATOM 20850 O O . LEU M 13 190 ? 24.577 -4.566 -73.475 1.00 55.22 ? 192 LEU O O 1 +ATOM 20851 C CB . LEU M 13 190 ? 24.269 -7.323 -74.585 1.00 58.54 ? 192 LEU O CB 1 +ATOM 20852 C CG . LEU M 13 190 ? 25.191 -7.054 -75.768 1.00 64.30 ? 192 LEU O CG 1 +ATOM 20853 C CD1 . LEU M 13 190 ? 26.366 -8.026 -75.779 1.00 56.89 ? 192 LEU O CD1 1 +ATOM 20854 C CD2 . LEU M 13 190 ? 24.384 -7.126 -77.050 1.00 67.23 ? 192 LEU O CD2 1 +ATOM 20855 N N . THR M 13 191 ? 26.576 -5.342 -72.778 1.00 54.38 ? 193 THR O N 1 +ATOM 20856 C CA . THR M 13 191 ? 27.181 -4.028 -72.624 1.00 55.95 ? 193 THR O CA 1 +ATOM 20857 C C . THR M 13 191 ? 28.485 -3.978 -73.410 1.00 56.92 ? 193 THR O C 1 +ATOM 20858 O O . THR M 13 191 ? 28.925 -4.967 -73.989 1.00 57.10 ? 193 THR O O 1 +ATOM 20859 C CB . THR M 13 191 ? 27.420 -3.699 -71.145 1.00 63.95 ? 193 THR O CB 1 +ATOM 20860 O OG1 . THR M 13 191 ? 28.209 -4.734 -70.534 1.00 57.57 ? 193 THR O OG1 1 +ATOM 20861 C CG2 . THR M 13 191 ? 26.092 -3.571 -70.426 1.00 52.97 ? 193 THR O CG2 1 +ATOM 20862 N N . LYS M 13 192 ? 29.103 -2.806 -73.447 1.00 62.33 ? 194 LYS O N 1 +ATOM 20863 C CA . LYS M 13 192 ? 30.339 -2.635 -74.188 1.00 61.85 ? 194 LYS O CA 1 +ATOM 20864 C C . LYS M 13 192 ? 31.485 -2.354 -73.231 1.00 59.69 ? 194 LYS O C 1 +ATOM 20865 O O . LYS M 13 192 ? 31.289 -1.794 -72.152 1.00 61.79 ? 194 LYS O O 1 +ATOM 20866 C CB . LYS M 13 192 ? 30.207 -1.509 -75.226 1.00 72.88 ? 194 LYS O CB 1 +ATOM 20867 C CG . LYS M 13 192 ? 29.161 -1.808 -76.313 1.00 73.89 ? 194 LYS O CG 1 +ATOM 20868 C CD . LYS M 13 192 ? 29.684 -1.584 -77.729 1.00 100.71 ? 194 LYS O CD 1 +ATOM 20869 C CE . LYS M 13 192 ? 30.283 -2.855 -78.329 1.00 103.28 ? 194 LYS O CE 1 +ATOM 20870 N NZ . LYS M 13 192 ? 30.395 -2.810 -79.827 1.00 87.80 ? 194 LYS O NZ 1 +ATOM 20871 N N . GLY M 13 193 ? 32.682 -2.805 -73.610 1.00 54.30 ? 195 GLY O N 1 +ATOM 20872 C CA . GLY M 13 193 ? 33.900 -2.428 -72.931 1.00 55.11 ? 195 GLY O CA 1 +ATOM 20873 C C . GLY M 13 193 ? 34.861 -1.773 -73.913 1.00 64.66 ? 195 GLY O C 1 +ATOM 20874 O O . GLY M 13 193 ? 34.621 -1.741 -75.126 1.00 59.73 ? 195 GLY O O 1 +ATOM 20875 N N . GLN M 13 194 ? 35.958 -1.248 -73.373 1.00 51.62 ? 196 GLN O N 1 +ATOM 20876 C CA . GLN M 13 194 ? 36.973 -0.572 -74.166 1.00 64.64 ? 196 GLN O CA 1 +ATOM 20877 C C . GLN M 13 194 ? 38.337 -1.119 -73.790 1.00 57.42 ? 196 GLN O C 1 +ATOM 20878 O O . GLN M 13 194 ? 38.570 -1.479 -72.637 1.00 59.43 ? 196 GLN O O 1 +ATOM 20879 C CB . GLN M 13 194 ? 36.954 0.941 -73.939 1.00 62.62 ? 196 GLN O CB 1 +ATOM 20880 C CG . GLN M 13 194 ? 35.634 1.603 -74.310 1.00 96.22 ? 196 GLN O CG 1 +ATOM 20881 C CD . GLN M 13 194 ? 34.603 1.561 -73.174 1.00 122.34 ? 196 GLN O CD 1 +ATOM 20882 O OE1 . GLN M 13 194 ? 34.954 1.549 -71.983 1.00 112.21 ? 196 GLN O OE1 1 +ATOM 20883 N NE2 . GLN M 13 194 ? 33.320 1.540 -73.544 1.00 108.70 ? 196 GLN O NE2 1 +ATOM 20884 N N . ILE M 13 195 ? 39.248 -1.167 -74.757 1.00 58.40 ? 197 ILE O N 1 +ATOM 20885 C CA . ILE M 13 195 ? 40.572 -1.723 -74.505 1.00 65.78 ? 197 ILE O CA 1 +ATOM 20886 C C . ILE M 13 195 ? 41.624 -0.914 -75.257 1.00 66.04 ? 197 ILE O C 1 +ATOM 20887 O O . ILE M 13 195 ? 41.373 -0.390 -76.343 1.00 60.12 ? 197 ILE O O 1 +ATOM 20888 C CB . ILE M 13 195 ? 40.622 -3.229 -74.886 1.00 56.73 ? 197 ILE O CB 1 +ATOM 20889 C CG1 . ILE M 13 195 ? 41.984 -3.835 -74.574 1.00 62.31 ? 197 ILE O CG1 1 +ATOM 20890 C CG2 . ILE M 13 195 ? 40.291 -3.437 -76.347 1.00 58.90 ? 197 ILE O CG2 1 +ATOM 20891 C CD1 . ILE M 13 195 ? 41.959 -5.324 -74.499 1.00 57.24 ? 197 ILE O CD1 1 +ATOM 20892 N N . SER M 13 196 ? 42.809 -0.815 -74.665 1.00 58.41 ? 198 SER O N 1 +ATOM 20893 C CA . SER M 13 196 ? 43.969 -0.204 -75.290 1.00 64.29 ? 198 SER O CA 1 +ATOM 20894 C C . SER M 13 196 ? 45.094 -1.220 -75.314 1.00 50.41 ? 198 SER O C 1 +ATOM 20895 O O . SER M 13 196 ? 45.430 -1.799 -74.282 1.00 62.88 ? 198 SER O O 1 +ATOM 20896 C CB . SER M 13 196 ? 44.434 1.052 -74.533 1.00 63.28 ? 198 SER O CB 1 +ATOM 20897 O OG . SER M 13 196 ? 43.426 2.048 -74.507 1.00 90.81 ? 198 SER O OG 1 +ATOM 20898 N N . LEU M 13 197 ? 45.687 -1.416 -76.473 1.00 64.33 ? 199 LEU O N 1 +ATOM 20899 C CA . LEU M 13 197 ? 46.848 -2.283 -76.625 1.00 63.86 ? 199 LEU O CA 1 +ATOM 20900 C C . LEU M 13 197 ? 48.035 -1.392 -76.960 1.00 69.08 ? 199 LEU O C 1 +ATOM 20901 O O . LEU M 13 197 ? 48.059 -0.751 -78.016 1.00 78.89 ? 199 LEU O O 1 +ATOM 20902 C CB . LEU M 13 197 ? 46.602 -3.327 -77.711 1.00 61.60 ? 199 LEU O CB 1 +ATOM 20903 C CG . LEU M 13 197 ? 45.404 -4.244 -77.455 1.00 64.25 ? 199 LEU O CG 1 +ATOM 20904 C CD1 . LEU M 13 197 ? 44.907 -4.803 -78.768 1.00 84.17 ? 199 LEU O CD1 1 +ATOM 20905 C CD2 . LEU M 13 197 ? 45.823 -5.377 -76.570 1.00 80.87 ? 199 LEU O CD2 1 +ATOM 20906 N N . ASN M 13 198 ? 48.998 -1.324 -76.057 1.00 61.70 ? 200 ASN O N 1 +ATOM 20907 C CA . ASN M 13 198 ? 50.201 -0.531 -76.265 1.00 71.39 ? 200 ASN O CA 1 +ATOM 20908 C C . ASN M 13 198 ? 51.331 -1.464 -76.690 1.00 66.44 ? 200 ASN O C 1 +ATOM 20909 O O . ASN M 13 198 ? 51.881 -2.196 -75.858 1.00 72.10 ? 200 ASN O O 1 +ATOM 20910 C CB . ASN M 13 198 ? 50.572 0.235 -74.999 1.00 74.54 ? 200 ASN O CB 1 +ATOM 20911 C CG . ASN M 13 198 ? 51.967 0.839 -75.077 1.00 89.21 ? 200 ASN O CG 1 +ATOM 20912 O OD1 . ASN M 13 198 ? 52.947 0.244 -74.621 1.00 104.18 ? 200 ASN O OD1 1 +ATOM 20913 N ND2 . ASN M 13 198 ? 52.063 2.021 -75.665 1.00 118.89 ? 200 ASN O ND2 1 +ATOM 20914 N N . VAL M 13 199 ? 51.679 -1.441 -77.981 1.00 64.87 ? 201 VAL O N 1 +ATOM 20915 C CA . VAL M 13 199 ? 52.799 -2.253 -78.435 1.00 70.33 ? 201 VAL O CA 1 +ATOM 20916 C C . VAL M 13 199 ? 54.073 -1.778 -77.750 1.00 69.91 ? 201 VAL O C 1 +ATOM 20917 O O . VAL M 13 199 ? 54.299 -0.577 -77.576 1.00 95.16 ? 201 VAL O O 1 +ATOM 20918 C CB . VAL M 13 199 ? 52.917 -2.204 -79.968 1.00 79.33 ? 201 VAL O CB 1 +ATOM 20919 C CG1 . VAL M 13 199 ? 53.997 -3.167 -80.446 1.00 76.52 ? 201 VAL O CG1 1 +ATOM 20920 C CG2 . VAL M 13 199 ? 51.573 -2.544 -80.620 1.00 61.89 ? 201 VAL O CG2 1 +ATOM 20921 N N . ALA M 13 200 ? 54.894 -2.721 -77.315 1.00 70.30 ? 202 ALA O N 1 +ATOM 20922 C CA . ALA M 13 200 ? 56.127 -2.402 -76.607 1.00 63.51 ? 202 ALA O CA 1 +ATOM 20923 C C . ALA M 13 200 ? 57.336 -3.114 -77.169 1.00 75.85 ? 202 ALA O C 1 +ATOM 20924 O O . ALA M 13 200 ? 58.463 -2.681 -76.903 1.00 85.29 ? 202 ALA O O 1 +ATOM 20925 C CB . ALA M 13 200 ? 56.010 -2.759 -75.116 1.00 67.77 ? 202 ALA O CB 1 +ATOM 20926 N N . LYS M 13 201 ? 57.143 -4.207 -77.894 1.00 81.70 ? 203 LYS O N 1 +ATOM 20927 C CA . LYS M 13 201 ? 58.196 -4.935 -78.572 1.00 73.76 ? 203 LYS O CA 1 +ATOM 20928 C C . LYS M 13 201 ? 57.650 -5.380 -79.912 1.00 79.02 ? 203 LYS O C 1 +ATOM 20929 O O . LYS M 13 201 ? 56.472 -5.726 -80.021 1.00 78.14 ? 203 LYS O O 1 +ATOM 20930 C CB . LYS M 13 201 ? 58.665 -6.148 -77.774 1.00 78.32 ? 203 LYS O CB 1 +ATOM 20931 C CG . LYS M 13 201 ? 59.261 -5.809 -76.427 1.00 87.45 ? 203 LYS O CG 1 +ATOM 20932 C CD . LYS M 13 201 ? 59.697 -7.069 -75.707 1.00 91.23 ? 203 LYS O CD 1 +ATOM 20933 C CE . LYS M 13 201 ? 60.355 -6.744 -74.386 1.00 95.20 ? 203 LYS O CE 1 +ATOM 20934 N NZ . LYS M 13 201 ? 60.660 -7.984 -73.624 1.00 106.93 ? 203 LYS O NZ 1 +ATOM 20935 N N . VAL M 13 202 ? 58.495 -5.336 -80.934 1.00 81.14 ? 204 VAL O N 1 +ATOM 20936 C CA . VAL M 13 202 ? 58.154 -5.827 -82.261 1.00 70.60 ? 204 VAL O CA 1 +ATOM 20937 C C . VAL M 13 202 ? 59.343 -6.627 -82.767 1.00 86.52 ? 204 VAL O C 1 +ATOM 20938 O O . VAL M 13 202 ? 60.495 -6.221 -82.583 1.00 94.68 ? 204 VAL O O 1 +ATOM 20939 C CB . VAL M 13 202 ? 57.809 -4.684 -83.242 1.00 74.88 ? 204 VAL O CB 1 +ATOM 20940 C CG1 . VAL M 13 202 ? 57.378 -5.242 -84.590 1.00 73.73 ? 204 VAL O CG1 1 +ATOM 20941 C CG2 . VAL M 13 202 ? 56.730 -3.768 -82.673 1.00 62.82 ? 204 VAL O CG2 1 +ATOM 20942 N N . ASP M 13 203 ? 59.066 -7.780 -83.368 1.00 90.83 ? 205 ASP O N 1 +ATOM 20943 C CA . ASP M 13 203 ? 60.070 -8.588 -84.051 1.00 74.82 ? 205 ASP O CA 1 +ATOM 20944 C C . ASP M 13 203 ? 59.730 -8.519 -85.533 1.00 90.26 ? 205 ASP O C 1 +ATOM 20945 O O . ASP M 13 203 ? 58.809 -9.199 -85.998 1.00 76.70 ? 205 ASP O O 1 +ATOM 20946 C CB . ASP M 13 203 ? 60.080 -10.023 -83.536 1.00 87.96 ? 205 ASP O CB 1 +ATOM 20947 C CG . ASP M 13 203 ? 61.192 -10.859 -84.148 1.00 87.60 ? 205 ASP O CG 1 +ATOM 20948 O OD1 . ASP M 13 203 ? 61.366 -10.835 -85.382 1.00 82.81 ? 205 ASP O OD1 1 +ATOM 20949 O OD2 . ASP M 13 203 ? 61.896 -11.545 -83.387 1.00 90.96 ? 205 ASP O OD2 1 +ATOM 20950 N N . GLY M 13 204 ? 60.497 -7.702 -86.267 1.00 105.81 ? 206 GLY O N 1 +ATOM 20951 C CA . GLY M 13 204 ? 60.142 -7.368 -87.636 1.00 85.96 ? 206 GLY O CA 1 +ATOM 20952 C C . GLY M 13 204 ? 60.104 -8.550 -88.583 1.00 83.40 ? 206 GLY O C 1 +ATOM 20953 O O . GLY M 13 204 ? 59.292 -8.572 -89.510 1.00 100.98 ? 206 GLY O O 1 +ATOM 20954 N N . ARG M 13 205 ? 60.974 -9.544 -88.375 1.00 87.37 ? 207 ARG O N 1 +ATOM 20955 C CA . ARG M 13 205 ? 61.004 -10.678 -89.297 1.00 86.95 ? 207 ARG O CA 1 +ATOM 20956 C C . ARG M 13 205 ? 59.882 -11.674 -89.023 1.00 97.64 ? 207 ARG O C 1 +ATOM 20957 O O . ARG M 13 205 ? 59.284 -12.211 -89.965 1.00 88.45 ? 207 ARG O O 1 +ATOM 20958 C CB . ARG M 13 205 ? 62.360 -11.385 -89.239 1.00 101.26 ? 207 ARG O CB 1 +ATOM 20959 C CG . ARG M 13 205 ? 63.063 -11.272 -87.913 1.00 104.88 ? 207 ARG O CG 1 +ATOM 20960 C CD . ARG M 13 205 ? 64.124 -12.350 -87.748 1.00 129.80 ? 207 ARG O CD 1 +ATOM 20961 N NE . ARG M 13 205 ? 64.836 -12.209 -86.481 1.00 148.11 ? 207 ARG O NE 1 +ATOM 20962 C CZ . ARG M 13 205 ? 64.489 -12.808 -85.347 1.00 145.50 ? 207 ARG O CZ 1 +ATOM 20963 N NH1 . ARG M 13 205 ? 63.446 -13.622 -85.283 1.00 128.11 ? 207 ARG O NH1 1 +ATOM 20964 N NH2 . ARG M 13 205 ? 65.211 -12.588 -84.251 1.00 134.09 ? 207 ARG O NH2 1 +ATOM 20965 N N . THR M 13 206 ? 59.579 -11.943 -87.751 1.00 90.97 ? 208 THR O N 1 +ATOM 20966 C CA . THR M 13 206 ? 58.559 -12.937 -87.441 1.00 69.78 ? 208 THR O CA 1 +ATOM 20967 C C . THR M 13 206 ? 57.144 -12.369 -87.443 1.00 82.98 ? 208 THR O C 1 +ATOM 20968 O O . THR M 13 206 ? 56.187 -13.144 -87.514 1.00 96.96 ? 208 THR O O 1 +ATOM 20969 C CB . THR M 13 206 ? 58.842 -13.581 -86.094 1.00 71.04 ? 208 THR O CB 1 +ATOM 20970 O OG1 . THR M 13 206 ? 58.669 -12.604 -85.067 1.00 79.89 ? 208 THR O OG1 1 +ATOM 20971 C CG2 . THR M 13 206 ? 60.265 -14.105 -86.043 1.00 73.19 ? 208 THR O CG2 1 +ATOM 20972 N N . GLY M 13 207 ? 56.979 -11.048 -87.393 1.00 76.37 ? 209 GLY O N 1 +ATOM 20973 C CA . GLY M 13 207 ? 55.645 -10.492 -87.297 1.00 70.16 ? 209 GLY O CA 1 +ATOM 20974 C C . GLY M 13 207 ? 55.019 -10.579 -85.918 1.00 86.39 ? 209 GLY O C 1 +ATOM 20975 O O . GLY M 13 207 ? 53.797 -10.444 -85.789 1.00 72.28 ? 209 GLY O O 1 +ATOM 20976 N N . GLU M 13 208 ? 55.818 -10.801 -84.879 1.00 67.76 ? 210 GLU O N 1 +ATOM 20977 C CA . GLU M 13 208 ? 55.307 -10.889 -83.519 1.00 81.10 ? 210 GLU O CA 1 +ATOM 20978 C C . GLU M 13 208 ? 55.414 -9.535 -82.821 1.00 81.00 ? 210 GLU O C 1 +ATOM 20979 O O . GLU M 13 208 ? 56.415 -8.827 -82.959 1.00 74.89 ? 210 GLU O O 1 +ATOM 20980 C CB . GLU M 13 208 ? 56.072 -11.952 -82.727 1.00 69.19 ? 210 GLU O CB 1 +ATOM 20981 C CG . GLU M 13 208 ? 56.049 -13.361 -83.344 1.00 71.32 ? 210 GLU O CG 1 +ATOM 20982 C CD . GLU M 13 208 ? 57.094 -14.271 -82.718 1.00 73.96 ? 210 GLU O CD 1 +ATOM 20983 O OE1 . GLU M 13 208 ? 58.302 -14.073 -82.985 1.00 84.11 ? 210 GLU O OE1 1 +ATOM 20984 O OE2 . GLU M 13 208 ? 56.716 -15.167 -81.930 1.00 82.00 ? 210 GLU O OE2 1 +ATOM 20985 N N . ILE M 13 209 ? 54.363 -9.171 -82.090 1.00 79.25 ? 211 ILE O N 1 +ATOM 20986 C CA . ILE M 13 209 ? 54.363 -7.986 -81.243 1.00 67.45 ? 211 ILE O CA 1 +ATOM 20987 C C . ILE M 13 209 ? 53.913 -8.390 -79.846 1.00 72.77 ? 211 ILE O C 1 +ATOM 20988 O O . ILE M 13 209 ? 53.150 -9.345 -79.665 1.00 74.15 ? 211 ILE O O 1 +ATOM 20989 C CB . ILE M 13 209 ? 53.461 -6.866 -81.803 1.00 74.11 ? 211 ILE O CB 1 +ATOM 20990 C CG1 . ILE M 13 209 ? 51.996 -7.297 -81.774 1.00 65.73 ? 211 ILE O CG1 1 +ATOM 20991 C CG2 . ILE M 13 209 ? 53.879 -6.504 -83.224 1.00 73.37 ? 211 ILE O CG2 1 +ATOM 20992 C CD1 . ILE M 13 209 ? 51.035 -6.198 -82.166 1.00 64.34 ? 211 ILE O CD1 1 +ATOM 20993 N N . ALA M 13 210 ? 54.410 -7.667 -78.848 1.00 82.69 ? 212 ALA O N 1 +ATOM 20994 C CA . ALA M 13 210 ? 54.000 -7.855 -77.466 1.00 67.88 ? 212 ALA O CA 1 +ATOM 20995 C C . ALA M 13 210 ? 53.873 -6.489 -76.810 1.00 75.76 ? 212 ALA O C 1 +ATOM 20996 O O . ALA M 13 210 ? 54.422 -5.498 -77.289 1.00 69.00 ? 212 ALA O O 1 +ATOM 20997 C CB . ALA M 13 210 ? 54.993 -8.741 -76.697 1.00 65.02 ? 212 ALA O CB 1 +ATOM 20998 N N . GLY M 13 211 ? 53.141 -6.441 -75.708 1.00 66.86 ? 213 GLY O N 1 +ATOM 20999 C CA . GLY M 13 211 ? 52.952 -5.184 -75.022 1.00 63.95 ? 213 GLY O CA 1 +ATOM 21000 C C . GLY M 13 211 ? 52.072 -5.346 -73.804 1.00 63.67 ? 213 GLY O C 1 +ATOM 21001 O O . GLY M 13 211 ? 51.924 -6.439 -73.265 1.00 59.02 ? 213 GLY O O 1 +ATOM 21002 N N . THR M 13 212 ? 51.501 -4.234 -73.371 1.00 64.21 ? 214 THR O N 1 +ATOM 21003 C CA . THR M 13 212 ? 50.613 -4.195 -72.227 1.00 63.31 ? 214 THR O CA 1 +ATOM 21004 C C . THR M 13 212 ? 49.242 -3.752 -72.702 1.00 71.57 ? 214 THR O C 1 +ATOM 21005 O O . THR M 13 212 ? 49.101 -3.182 -73.788 1.00 60.46 ? 214 THR O O 1 +ATOM 21006 C CB . THR M 13 212 ? 51.129 -3.235 -71.154 1.00 72.70 ? 214 THR O CB 1 +ATOM 21007 O OG1 . THR M 13 212 ? 51.113 -1.895 -71.675 1.00 67.65 ? 214 THR O OG1 1 +ATOM 21008 C CG2 . THR M 13 212 ? 52.543 -3.624 -70.725 1.00 55.19 ? 214 THR O CG2 1 +ATOM 21009 N N . PHE M 13 213 ? 48.225 -4.028 -71.884 1.00 55.13 ? 215 PHE O N 1 +ATOM 21010 C CA . PHE M 13 213 ? 46.870 -3.633 -72.238 1.00 60.82 ? 215 PHE O CA 1 +ATOM 21011 C C . PHE M 13 213 ? 46.124 -3.145 -71.005 1.00 52.77 ? 215 PHE O C 1 +ATOM 21012 O O . PHE M 13 213 ? 46.512 -3.398 -69.864 1.00 56.51 ? 215 PHE O O 1 +ATOM 21013 C CB . PHE M 13 213 ? 46.080 -4.779 -72.918 1.00 61.26 ? 215 PHE O CB 1 +ATOM 21014 C CG . PHE M 13 213 ? 45.632 -5.891 -71.970 1.00 66.85 ? 215 PHE O CG 1 +ATOM 21015 C CD1 . PHE M 13 213 ? 46.446 -6.999 -71.740 1.00 65.27 ? 215 PHE O CD1 1 +ATOM 21016 C CD2 . PHE M 13 213 ? 44.386 -5.840 -71.341 1.00 57.59 ? 215 PHE O CD2 1 +ATOM 21017 C CE1 . PHE M 13 213 ? 46.042 -8.018 -70.898 1.00 60.48 ? 215 PHE O CE1 1 +ATOM 21018 C CE2 . PHE M 13 213 ? 43.972 -6.866 -70.498 1.00 54.55 ? 215 PHE O CE2 1 +ATOM 21019 C CZ . PHE M 13 213 ? 44.806 -7.951 -70.278 1.00 58.36 ? 215 PHE O CZ 1 +ATOM 21020 N N . GLU M 13 214 ? 45.032 -2.439 -71.267 1.00 57.00 ? 216 GLU O N 1 +ATOM 21021 C CA . GLU M 13 214 ? 44.109 -2.009 -70.236 1.00 58.81 ? 216 GLU O CA 1 +ATOM 21022 C C . GLU M 13 214 ? 42.716 -2.046 -70.835 1.00 55.33 ? 216 GLU O C 1 +ATOM 21023 O O . GLU M 13 214 ? 42.484 -1.455 -71.885 1.00 61.73 ? 216 GLU O O 1 +ATOM 21024 C CB . GLU M 13 214 ? 44.458 -0.606 -69.735 1.00 54.00 ? 216 GLU O CB 1 +ATOM 21025 C CG . GLU M 13 214 ? 43.567 -0.145 -68.601 1.00 78.75 ? 216 GLU O CG 1 +ATOM 21026 C CD . GLU M 13 214 ? 43.942 1.230 -68.086 1.00 84.12 ? 216 GLU O CD 1 +ATOM 21027 O OE1 . GLU M 13 214 ? 44.942 1.340 -67.332 1.00 75.31 ? 216 GLU O OE1 1 +ATOM 21028 O OE2 . GLU M 13 214 ? 43.227 2.192 -68.441 1.00 87.78 ? 216 GLU O OE2 1 +ATOM 21029 N N . SER M 13 215 ? 41.805 -2.766 -70.204 1.00 54.69 ? 217 SER O N 1 +ATOM 21030 C CA . SER M 13 215 ? 40.420 -2.774 -70.633 1.00 56.99 ? 217 SER O CA 1 +ATOM 21031 C C . SER M 13 215 ? 39.543 -2.362 -69.464 1.00 55.72 ? 217 SER O C 1 +ATOM 21032 O O . SER M 13 215 ? 39.929 -2.475 -68.297 1.00 56.87 ? 217 SER O O 1 +ATOM 21033 C CB . SER M 13 215 ? 39.982 -4.157 -71.176 1.00 45.12 ? 217 SER O CB 1 +ATOM 21034 O OG . SER M 13 215 ? 40.112 -5.154 -70.178 1.00 64.34 ? 217 SER O OG 1 +ATOM 21035 N N . GLU M 13 216 ? 38.360 -1.863 -69.790 1.00 56.43 ? 218 GLU O N 1 +ATOM 21036 C CA . GLU M 13 216 ? 37.375 -1.498 -68.785 1.00 57.30 ? 218 GLU O CA 1 +ATOM 21037 C C . GLU M 13 216 ? 36.070 -2.149 -69.181 1.00 55.59 ? 218 GLU O C 1 +ATOM 21038 O O . GLU M 13 216 ? 35.687 -2.102 -70.351 1.00 58.33 ? 218 GLU O O 1 +ATOM 21039 C CB . GLU M 13 216 ? 37.176 0.017 -68.682 1.00 60.58 ? 218 GLU O CB 1 +ATOM 21040 C CG . GLU M 13 216 ? 38.265 0.749 -67.928 1.00 99.25 ? 218 GLU O CG 1 +ATOM 21041 C CD . GLU M 13 216 ? 37.702 1.814 -66.996 1.00 115.50 ? 218 GLU O CD 1 +ATOM 21042 O OE1 . GLU M 13 216 ? 37.199 1.454 -65.903 1.00 110.39 ? 218 GLU O OE1 1 +ATOM 21043 O OE2 . GLU M 13 216 ? 37.747 3.008 -67.370 1.00 144.79 ? 218 GLU O OE2 1 +ATOM 21044 N N . GLN M 13 217 ? 35.389 -2.749 -68.220 1.00 54.07 ? 219 GLN O N 1 +ATOM 21045 C CA . GLN M 13 217 ? 34.096 -3.346 -68.514 1.00 59.15 ? 219 GLN O CA 1 +ATOM 21046 C C . GLN M 13 217 ? 33.313 -3.481 -67.215 1.00 56.53 ? 219 GLN O C 1 +ATOM 21047 O O . GLN M 13 217 ? 33.824 -3.227 -66.120 1.00 55.32 ? 219 GLN O O 1 +ATOM 21048 C CB . GLN M 13 217 ? 34.273 -4.699 -69.197 1.00 46.17 ? 219 GLN O CB 1 +ATOM 21049 C CG . GLN M 13 217 ? 35.092 -5.654 -68.330 1.00 54.26 ? 219 GLN O CG 1 +ATOM 21050 C CD . GLN M 13 217 ? 34.959 -7.086 -68.798 1.00 62.47 ? 219 GLN O CD 1 +ATOM 21051 O OE1 . GLN M 13 217 ? 35.883 -7.648 -69.394 1.00 51.68 ? 219 GLN O OE1 1 +ATOM 21052 N NE2 . GLN M 13 217 ? 33.792 -7.683 -68.547 1.00 54.39 ? 219 GLN O NE2 1 +ATOM 21053 N N . LEU M 13 218 ? 32.061 -3.879 -67.359 1.00 61.64 ? 220 LEU O N 1 +ATOM 21054 C CA . LEU M 13 218 ? 31.202 -4.162 -66.223 1.00 56.22 ? 220 LEU O CA 1 +ATOM 21055 C C . LEU M 13 218 ? 31.383 -5.611 -65.771 1.00 62.89 ? 220 LEU O C 1 +ATOM 21056 O O . LEU M 13 218 ? 31.784 -6.492 -66.545 1.00 57.37 ? 220 LEU O O 1 +ATOM 21057 C CB . LEU M 13 218 ? 29.744 -3.882 -66.594 1.00 54.83 ? 220 LEU O CB 1 +ATOM 21058 C CG . LEU M 13 218 ? 29.506 -2.418 -66.969 1.00 56.91 ? 220 LEU O CG 1 +ATOM 21059 C CD1 . LEU M 13 218 ? 28.075 -2.173 -67.420 1.00 52.31 ? 220 LEU O CD1 1 +ATOM 21060 C CD2 . LEU M 13 218 ? 29.835 -1.580 -65.756 1.00 52.65 ? 220 LEU O CD2 1 +ATOM 21061 N N . SER M 13 219 ? 31.091 -5.844 -64.488 1.00 55.79 ? 221 SER O N 1 +ATOM 21062 C CA . SER M 13 219 ? 31.112 -7.169 -63.889 1.00 50.66 ? 221 SER O CA 1 +ATOM 21063 C C . SER M 13 219 ? 29.712 -7.790 -63.950 1.00 54.25 ? 221 SER O C 1 +ATOM 21064 O O . SER M 13 219 ? 28.778 -7.228 -64.525 1.00 49.33 ? 221 SER O O 1 +ATOM 21065 C CB . SER M 13 219 ? 31.617 -7.085 -62.450 1.00 51.40 ? 221 SER O CB 1 +ATOM 21066 O OG . SER M 13 219 ? 30.634 -6.493 -61.605 1.00 51.80 ? 221 SER O OG 1 +ATOM 21067 N N . ASP M 13 220 ? 29.559 -8.970 -63.350 1.00 52.33 ? 222 ASP O N 1 +ATOM 21068 C CA . ASP M 13 220 ? 28.285 -9.679 -63.374 1.00 52.94 ? 222 ASP O CA 1 +ATOM 21069 C C . ASP M 13 220 ? 27.197 -8.884 -62.660 1.00 51.17 ? 222 ASP O C 1 +ATOM 21070 O O . ASP M 13 220 ? 27.413 -8.331 -61.584 1.00 55.14 ? 222 ASP O O 1 +ATOM 21071 C CB . ASP M 13 220 ? 28.468 -11.060 -62.718 1.00 57.92 ? 222 ASP O CB 1 +ATOM 21072 C CG . ASP M 13 220 ? 27.163 -11.818 -62.543 1.00 51.89 ? 222 ASP O CG 1 +ATOM 21073 O OD1 . ASP M 13 220 ? 26.335 -11.852 -63.478 1.00 58.43 ? 222 ASP O OD1 1 +ATOM 21074 O OD2 . ASP M 13 220 ? 26.983 -12.413 -61.469 1.00 63.76 ? 222 ASP O OD2 1 +ATOM 21075 N N . ASP M 13 221 ? 26.009 -8.836 -63.249 1.00 50.00 ? 223 ASP O N 1 +ATOM 21076 C CA . ASP M 13 221 ? 24.861 -8.254 -62.566 1.00 49.74 ? 223 ASP O CA 1 +ATOM 21077 C C . ASP M 13 221 ? 23.856 -9.307 -62.123 1.00 52.69 ? 223 ASP O C 1 +ATOM 21078 O O . ASP M 13 221 ? 22.735 -8.952 -61.742 1.00 48.80 ? 223 ASP O O 1 +ATOM 21079 C CB . ASP M 13 221 ? 24.167 -7.216 -63.453 1.00 48.71 ? 223 ASP O CB 1 +ATOM 21080 C CG . ASP M 13 221 ? 23.484 -7.836 -64.668 1.00 57.16 ? 223 ASP O CG 1 +ATOM 21081 O OD1 . ASP M 13 221 ? 23.659 -9.042 -64.921 1.00 58.57 ? 223 ASP O OD1 1 +ATOM 21082 O OD2 . ASP M 13 221 ? 22.770 -7.118 -65.390 1.00 61.94 ? 223 ASP O OD2 1 +ATOM 21083 N N . ASP M 13 222 ? 24.231 -10.593 -62.185 1.00 50.83 ? 224 ASP O N 1 +ATOM 21084 C CA . ASP M 13 222 ? 23.382 -11.706 -61.775 1.00 45.95 ? 224 ASP O CA 1 +ATOM 21085 C C . ASP M 13 222 ? 22.006 -11.624 -62.442 1.00 52.71 ? 224 ASP O C 1 +ATOM 21086 O O . ASP M 13 222 ? 20.963 -11.656 -61.785 1.00 48.58 ? 224 ASP O O 1 +ATOM 21087 C CB . ASP M 13 222 ? 23.264 -11.771 -60.243 1.00 51.07 ? 224 ASP O CB 1 +ATOM 21088 C CG . ASP M 13 222 ? 22.688 -13.099 -59.755 1.00 59.43 ? 224 ASP O CG 1 +ATOM 21089 O OD1 . ASP M 13 222 ? 22.680 -14.089 -60.539 1.00 64.11 ? 224 ASP O OD1 1 +ATOM 21090 O OD2 . ASP M 13 222 ? 22.215 -13.148 -58.599 1.00 66.07 ? 224 ASP O OD2 1 +ATOM 21091 N N . MET M 13 223 ? 22.019 -11.489 -63.771 1.00 55.73 ? 225 MET O N 1 +ATOM 21092 C CA . MET M 13 223 ? 20.805 -11.520 -64.584 1.00 49.61 ? 225 MET O CA 1 +ATOM 21093 C C . MET M 13 223 ? 19.786 -10.483 -64.131 1.00 58.54 ? 225 MET O C 1 +ATOM 21094 O O . MET M 13 223 ? 18.574 -10.721 -64.136 1.00 51.92 ? 225 MET O O 1 +ATOM 21095 C CB . MET M 13 223 ? 20.210 -12.919 -64.601 1.00 55.05 ? 225 MET O CB 1 +ATOM 21096 C CG . MET M 13 223 ? 21.161 -13.869 -65.266 1.00 61.22 ? 225 MET O CG 1 +ATOM 21097 S SD . MET M 13 223 ? 20.421 -15.348 -65.951 1.00 82.98 ? 225 MET O SD 1 +ATOM 21098 C CE . MET M 13 223 ? 20.404 -14.828 -67.679 1.00 65.47 ? 225 MET O CE 1 +ATOM 21099 N N . GLY M 13 224 ? 20.300 -9.303 -63.754 1.00 56.23 ? 226 GLY O N 1 +ATOM 21100 C CA . GLY M 13 224 ? 19.500 -8.150 -63.392 1.00 52.02 ? 226 GLY O CA 1 +ATOM 21101 C C . GLY M 13 224 ? 19.191 -8.021 -61.923 1.00 56.65 ? 226 GLY O C 1 +ATOM 21102 O O . GLY M 13 224 ? 18.451 -7.117 -61.541 1.00 54.84 ? 226 GLY O O 1 +ATOM 21103 N N . ALA M 13 225 ? 19.716 -8.913 -61.086 1.00 57.85 ? 227 ALA O N 1 +ATOM 21104 C CA . ALA M 13 225 ? 19.340 -8.909 -59.684 1.00 54.26 ? 227 ALA O CA 1 +ATOM 21105 C C . ALA M 13 225 ? 20.028 -7.786 -58.920 1.00 59.60 ? 227 ALA O C 1 +ATOM 21106 O O . ALA M 13 225 ? 19.497 -7.315 -57.912 1.00 59.85 ? 227 ALA O O 1 +ATOM 21107 C CB . ALA M 13 225 ? 19.661 -10.275 -59.061 1.00 56.18 ? 227 ALA O CB 1 +ATOM 21108 N N . HIS M 13 226 ? 21.195 -7.343 -59.367 1.00 55.40 ? 228 HIS O N 1 +ATOM 21109 C CA . HIS M 13 226 ? 21.873 -6.251 -58.687 1.00 59.97 ? 228 HIS O CA 1 +ATOM 21110 C C . HIS M 13 226 ? 22.697 -5.451 -59.691 1.00 59.16 ? 228 HIS O C 1 +ATOM 21111 O O . HIS M 13 226 ? 22.938 -5.886 -60.815 1.00 61.58 ? 228 HIS O O 1 +ATOM 21112 C CB . HIS M 13 226 ? 22.744 -6.774 -57.547 1.00 56.58 ? 228 HIS O CB 1 +ATOM 21113 C CG . HIS M 13 226 ? 23.884 -7.624 -57.999 1.00 59.08 ? 228 HIS O CG 1 +ATOM 21114 N ND1 . HIS M 13 226 ? 25.033 -7.093 -58.543 1.00 55.98 ? 228 HIS O ND1 1 +ATOM 21115 C CD2 . HIS M 13 226 ? 24.054 -8.967 -57.995 1.00 57.13 ? 228 HIS O CD2 1 +ATOM 21116 C CE1 . HIS M 13 226 ? 25.867 -8.074 -58.844 1.00 65.06 ? 228 HIS O CE1 1 +ATOM 21117 N NE2 . HIS M 13 226 ? 25.295 -9.221 -58.527 1.00 53.40 ? 228 HIS O NE2 1 +ATOM 21118 N N . GLU M 13 227 ? 23.129 -4.269 -59.262 1.00 61.76 ? 229 GLU O N 1 +ATOM 21119 C CA . GLU M 13 227 ? 23.991 -3.432 -60.086 1.00 69.88 ? 229 GLU O CA 1 +ATOM 21120 C C . GLU M 13 227 ? 25.357 -4.086 -60.289 1.00 52.47 ? 229 GLU O C 1 +ATOM 21121 O O . GLU M 13 227 ? 25.905 -4.681 -59.360 1.00 63.07 ? 229 GLU O O 1 +ATOM 21122 C CB . GLU M 13 227 ? 24.174 -2.063 -59.427 1.00 70.78 ? 229 GLU O CB 1 +ATOM 21123 C CG . GLU M 13 227 ? 22.873 -1.360 -59.134 1.00 87.51 ? 229 GLU O CG 1 +ATOM 21124 C CD . GLU M 13 227 ? 22.065 -1.088 -60.391 1.00 101.49 ? 229 GLU O CD 1 +ATOM 21125 O OE1 . GLU M 13 227 ? 22.675 -0.825 -61.453 1.00 115.03 ? 229 GLU O OE1 1 +ATOM 21126 O OE2 . GLU M 13 227 ? 20.815 -1.146 -60.317 1.00 124.63 ? 229 GLU O OE2 1 +ATOM 21127 N N . PRO M 13 228 ? 25.944 -3.967 -61.469 1.00 59.01 ? 230 PRO O N 1 +ATOM 21128 C CA . PRO M 13 228 ? 27.311 -4.459 -61.673 1.00 61.24 ? 230 PRO O CA 1 +ATOM 21129 C C . PRO M 13 228 ? 28.333 -3.453 -61.158 1.00 60.43 ? 230 PRO O C 1 +ATOM 21130 O O . PRO M 13 228 ? 28.021 -2.302 -60.882 1.00 61.97 ? 230 PRO O O 1 +ATOM 21131 C CB . PRO M 13 228 ? 27.406 -4.592 -63.193 1.00 58.62 ? 230 PRO O CB 1 +ATOM 21132 C CG . PRO M 13 228 ? 26.513 -3.480 -63.698 1.00 59.78 ? 230 PRO O CG 1 +ATOM 21133 C CD . PRO M 13 228 ? 25.390 -3.346 -62.689 1.00 53.07 ? 230 PRO O CD 1 +ATOM 21134 N N . HIS M 13 229 ? 29.574 -3.907 -61.061 1.00 58.62 ? 231 HIS O N 1 +ATOM 21135 C CA . HIS M 13 229 ? 30.712 -3.047 -60.780 1.00 59.48 ? 231 HIS O CA 1 +ATOM 21136 C C . HIS M 13 229 ? 31.482 -2.729 -62.059 1.00 73.08 ? 231 HIS O C 1 +ATOM 21137 O O . HIS M 13 229 ? 31.483 -3.508 -63.018 1.00 56.08 ? 231 HIS O O 1 +ATOM 21138 C CB . HIS M 13 229 ? 31.668 -3.703 -59.792 1.00 52.85 ? 231 HIS O CB 1 +ATOM 21139 C CG . HIS M 13 229 ? 31.183 -3.682 -58.383 1.00 78.86 ? 231 HIS O CG 1 +ATOM 21140 N ND1 . HIS M 13 229 ? 30.227 -4.558 -57.912 1.00 65.33 ? 231 HIS O ND1 1 +ATOM 21141 C CD2 . HIS M 13 229 ? 31.517 -2.885 -57.340 1.00 70.25 ? 231 HIS O CD2 1 +ATOM 21142 C CE1 . HIS M 13 229 ? 29.995 -4.300 -56.638 1.00 82.11 ? 231 HIS O CE1 1 +ATOM 21143 N NE2 . HIS M 13 229 ? 30.765 -3.291 -56.267 1.00 79.54 ? 231 HIS O NE2 1 +ATOM 21144 N N . GLU M 13 230 ? 32.177 -1.594 -62.047 1.00 57.06 ? 232 GLU O N 1 +ATOM 21145 C CA . GLU M 13 230 ? 33.121 -1.270 -63.106 1.00 55.08 ? 232 GLU O CA 1 +ATOM 21146 C C . GLU M 13 230 ? 34.488 -1.845 -62.771 1.00 54.86 ? 232 GLU O C 1 +ATOM 21147 O O . GLU M 13 230 ? 34.974 -1.719 -61.640 1.00 55.34 ? 232 GLU O O 1 +ATOM 21148 C CB . GLU M 13 230 ? 33.227 0.231 -63.310 1.00 56.90 ? 232 GLU O CB 1 +ATOM 21149 C CG . GLU M 13 230 ? 31.948 0.873 -63.743 1.00 74.11 ? 232 GLU O CG 1 +ATOM 21150 C CD . GLU M 13 230 ? 32.149 2.336 -64.023 1.00 100.27 ? 232 GLU O CD 1 +ATOM 21151 O OE1 . GLU M 13 230 ? 33.170 2.656 -64.676 1.00 88.58 ? 232 GLU O OE1 1 +ATOM 21152 O OE2 . GLU M 13 230 ? 31.312 3.148 -63.570 1.00 88.35 ? 232 GLU O OE2 1 +ATOM 21153 N N . VAL M 13 231 ? 35.099 -2.492 -63.754 1.00 50.79 ? 233 VAL O N 1 +ATOM 21154 C CA . VAL M 13 231 ? 36.330 -3.231 -63.532 1.00 58.45 ? 233 VAL O CA 1 +ATOM 21155 C C . VAL M 13 231 ? 37.356 -2.754 -64.538 1.00 60.49 ? 233 VAL O C 1 +ATOM 21156 O O . VAL M 13 231 ? 37.045 -2.574 -65.718 1.00 53.53 ? 233 VAL O O 1 +ATOM 21157 C CB . VAL M 13 231 ? 36.104 -4.753 -63.665 1.00 67.27 ? 233 VAL O CB 1 +ATOM 21158 C CG1 . VAL M 13 231 ? 37.368 -5.529 -63.246 1.00 55.42 ? 233 VAL O CG1 1 +ATOM 21159 C CG2 . VAL M 13 231 ? 34.881 -5.170 -62.838 1.00 62.23 ? 233 VAL O CG2 1 +ATOM 21160 N N . LYS M 13 232 ? 38.583 -2.567 -64.080 1.00 51.36 ? 234 LYS O N 1 +ATOM 21161 C CA . LYS M 13 232 ? 39.679 -2.222 -64.966 1.00 57.91 ? 234 LYS O CA 1 +ATOM 21162 C C . LYS M 13 232 ? 40.672 -3.364 -64.923 1.00 56.16 ? 234 LYS O C 1 +ATOM 21163 O O . LYS M 13 232 ? 41.077 -3.790 -63.842 1.00 57.21 ? 234 LYS O O 1 +ATOM 21164 C CB . LYS M 13 232 ? 40.324 -0.884 -64.566 1.00 73.17 ? 234 LYS O CB 1 +ATOM 21165 C CG . LYS M 13 232 ? 41.788 -0.725 -64.975 1.00 68.40 ? 234 LYS O CG 1 +ATOM 21166 C CD . LYS M 13 232 ? 42.111 0.699 -65.366 1.00 85.84 ? 234 LYS O CD 1 +ATOM 21167 C CE . LYS M 13 232 ? 41.504 1.717 -64.421 1.00 75.08 ? 234 LYS O CE 1 +ATOM 21168 N NZ . LYS M 13 232 ? 41.524 3.049 -65.091 1.00 105.67 ? 234 LYS O NZ 1 +ATOM 21169 N N . ILE M 13 233 ? 41.023 -3.893 -66.092 1.00 54.47 ? 235 ILE O N 1 +ATOM 21170 C CA . ILE M 13 233 ? 41.916 -5.042 -66.190 1.00 60.08 ? 235 ILE O CA 1 +ATOM 21171 C C . ILE M 13 233 ? 43.194 -4.593 -66.875 1.00 63.26 ? 235 ILE O C 1 +ATOM 21172 O O . ILE M 13 233 ? 43.151 -3.900 -67.901 1.00 59.67 ? 235 ILE O O 1 +ATOM 21173 C CB . ILE M 13 233 ? 41.270 -6.216 -66.948 1.00 61.08 ? 235 ILE O CB 1 +ATOM 21174 C CG1 . ILE M 13 233 ? 39.928 -6.576 -66.316 1.00 60.63 ? 235 ILE O CG1 1 +ATOM 21175 C CG2 . ILE M 13 233 ? 42.183 -7.431 -66.900 1.00 58.55 ? 235 ILE O CG2 1 +ATOM 21176 C CD1 . ILE M 13 233 ? 38.772 -6.484 -67.263 1.00 59.59 ? 235 ILE O CD1 1 +ATOM 21177 N N . GLN M 13 234 ? 44.323 -4.978 -66.301 1.00 57.33 ? 236 GLN O N 1 +ATOM 21178 C CA . GLN M 13 234 ? 45.620 -4.678 -66.874 1.00 69.52 ? 236 GLN O CA 1 +ATOM 21179 C C . GLN M 13 234 ? 46.401 -5.970 -67.032 1.00 65.21 ? 236 GLN O C 1 +ATOM 21180 O O . GLN M 13 234 ? 46.245 -6.914 -66.249 1.00 65.66 ? 236 GLN O O 1 +ATOM 21181 C CB . GLN M 13 234 ? 46.401 -3.687 -65.994 1.00 63.55 ? 236 GLN O CB 1 +ATOM 21182 C CG . GLN M 13 234 ? 45.788 -2.312 -65.962 1.00 56.02 ? 236 GLN O CG 1 +ATOM 21183 C CD . GLN M 13 234 ? 46.274 -1.493 -64.788 1.00 85.66 ? 236 GLN O CD 1 +ATOM 21184 O OE1 . GLN M 13 234 ? 47.065 -1.967 -63.959 1.00 73.90 ? 236 GLN O OE1 1 +ATOM 21185 N NE2 . GLN M 13 234 ? 45.794 -0.255 -64.701 1.00 77.83 ? 236 GLN O NE2 1 +ATOM 21186 N N . GLY M 13 235 ? 47.232 -6.010 -68.059 1.00 59.55 ? 237 GLY O N 1 +ATOM 21187 C CA . GLY M 13 235 ? 48.071 -7.165 -68.275 1.00 61.70 ? 237 GLY O CA 1 +ATOM 21188 C C . GLY M 13 235 ? 48.964 -7.009 -69.482 1.00 57.51 ? 237 GLY O C 1 +ATOM 21189 O O . GLY M 13 235 ? 49.274 -5.899 -69.919 1.00 61.87 ? 237 GLY O O 1 +ATOM 21190 N N . VAL M 13 236 ? 49.389 -8.131 -70.022 1.00 58.88 ? 238 VAL O N 1 +ATOM 21191 C CA . VAL M 13 236 ? 50.302 -8.153 -71.152 1.00 58.23 ? 238 VAL O CA 1 +ATOM 21192 C C . VAL M 13 236 ? 49.643 -8.935 -72.269 1.00 63.40 ? 238 VAL O C 1 +ATOM 21193 O O . VAL M 13 236 ? 48.781 -9.785 -72.033 1.00 66.68 ? 238 VAL O O 1 +ATOM 21194 C CB . VAL M 13 236 ? 51.660 -8.759 -70.757 1.00 63.17 ? 238 VAL O CB 1 +ATOM 21195 C CG1 . VAL M 13 236 ? 52.240 -7.977 -69.571 1.00 52.33 ? 238 VAL O CG1 1 +ATOM 21196 C CG2 . VAL M 13 236 ? 51.494 -10.232 -70.401 1.00 59.08 ? 238 VAL O CG2 1 +ATOM 21197 N N . PHE M 13 237 ? 50.027 -8.618 -73.492 1.00 62.33 ? 239 PHE O N 1 +ATOM 21198 C CA . PHE M 13 237 ? 49.499 -9.317 -74.640 1.00 56.77 ? 239 PHE O CA 1 +ATOM 21199 C C . PHE M 13 237 ? 50.641 -9.706 -75.562 1.00 68.99 ? 239 PHE O C 1 +ATOM 21200 O O . PHE M 13 237 ? 51.784 -9.257 -75.424 1.00 59.62 ? 239 PHE O O 1 +ATOM 21201 C CB . PHE M 13 237 ? 48.454 -8.487 -75.395 1.00 60.03 ? 239 PHE O CB 1 +ATOM 21202 C CG . PHE M 13 237 ? 49.037 -7.370 -76.225 1.00 63.82 ? 239 PHE O CG 1 +ATOM 21203 C CD1 . PHE M 13 237 ? 49.357 -6.153 -75.646 1.00 70.76 ? 239 PHE O CD1 1 +ATOM 21204 C CD2 . PHE M 13 237 ? 49.239 -7.532 -77.586 1.00 64.90 ? 239 PHE O CD2 1 +ATOM 21205 C CE1 . PHE M 13 237 ? 49.879 -5.114 -76.412 1.00 66.00 ? 239 PHE O CE1 1 +ATOM 21206 C CE2 . PHE M 13 237 ? 49.766 -6.511 -78.354 1.00 62.57 ? 239 PHE O CE2 1 +ATOM 21207 C CZ . PHE M 13 237 ? 50.087 -5.296 -77.761 1.00 71.74 ? 239 PHE O CZ 1 +ATOM 21208 N N . TYR M 13 238 ? 50.293 -10.584 -76.495 1.00 69.70 ? 240 TYR O N 1 +ATOM 21209 C CA . TYR M 13 238 ? 51.163 -11.078 -77.541 1.00 60.13 ? 240 TYR O CA 1 +ATOM 21210 C C . TYR M 13 238 ? 50.297 -11.252 -78.770 1.00 70.40 ? 240 TYR O C 1 +ATOM 21211 O O . TYR M 13 238 ? 49.116 -11.596 -78.658 1.00 62.87 ? 240 TYR O O 1 +ATOM 21212 C CB . TYR M 13 238 ? 51.823 -12.394 -77.131 1.00 62.15 ? 240 TYR O CB 1 +ATOM 21213 C CG . TYR M 13 238 ? 52.433 -13.211 -78.253 1.00 71.34 ? 240 TYR O CG 1 +ATOM 21214 C CD1 . TYR M 13 238 ? 51.659 -14.110 -78.994 1.00 69.94 ? 240 TYR O CD1 1 +ATOM 21215 C CD2 . TYR M 13 238 ? 53.792 -13.127 -78.536 1.00 75.28 ? 240 TYR O CD2 1 +ATOM 21216 C CE1 . TYR M 13 238 ? 52.222 -14.875 -80.000 1.00 64.76 ? 240 TYR O CE1 1 +ATOM 21217 C CE2 . TYR M 13 238 ? 54.365 -13.886 -79.538 1.00 60.97 ? 240 TYR O CE2 1 +ATOM 21218 C CZ . TYR M 13 238 ? 53.582 -14.760 -80.266 1.00 75.44 ? 240 TYR O CZ 1 +ATOM 21219 O OH . TYR M 13 238 ? 54.159 -15.517 -81.270 1.00 72.63 ? 240 TYR O OH 1 +ATOM 21220 N N . ALA M 13 239 ? 50.866 -10.963 -79.933 1.00 63.69 ? 241 ALA O N 1 +ATOM 21221 C CA . ALA M 13 239 ? 50.162 -11.205 -81.179 1.00 62.72 ? 241 ALA O CA 1 +ATOM 21222 C C . ALA M 13 239 ? 51.172 -11.634 -82.231 1.00 70.28 ? 241 ALA O C 1 +ATOM 21223 O O . ALA M 13 239 ? 52.309 -11.156 -82.248 1.00 71.00 ? 241 ALA O O 1 +ATOM 21224 C CB . ALA M 13 239 ? 49.392 -9.967 -81.646 1.00 56.13 ? 241 ALA O CB 1 +ATOM 21225 N N . SER M 13 240 ? 50.764 -12.549 -83.090 1.00 64.23 ? 242 SER O N 1 +ATOM 21226 C CA . SER M 13 240 ? 51.545 -12.881 -84.271 1.00 64.43 ? 242 SER O CA 1 +ATOM 21227 C C . SER M 13 240 ? 50.777 -12.402 -85.495 1.00 71.91 ? 242 SER O C 1 +ATOM 21228 O O . SER M 13 240 ? 49.620 -12.791 -85.705 1.00 59.86 ? 242 SER O O 1 +ATOM 21229 C CB . SER M 13 240 ? 51.833 -14.373 -84.348 1.00 62.08 ? 242 SER O CB 1 +ATOM 21230 O OG . SER M 13 240 ? 50.661 -15.047 -84.736 1.00 87.42 ? 242 SER O OG 1 +ATOM 21231 N N . ILE M 13 241 ? 51.405 -11.518 -86.265 1.00 64.79 ? 243 ILE O N 1 +ATOM 21232 C CA . ILE M 13 241 ? 50.855 -11.019 -87.521 1.00 84.37 ? 243 ILE O CA 1 +ATOM 21233 C C . ILE M 13 241 ? 51.472 -11.824 -88.650 1.00 70.57 ? 243 ILE O C 1 +ATOM 21234 O O . ILE M 13 241 ? 52.674 -12.125 -88.631 1.00 86.46 ? 243 ILE O O 1 +ATOM 21235 C CB . ILE M 13 241 ? 51.137 -9.512 -87.695 1.00 82.65 ? 243 ILE O CB 1 +ATOM 21236 C CG1 . ILE M 13 241 ? 50.695 -8.749 -86.447 1.00 71.65 ? 243 ILE O CG1 1 +ATOM 21237 C CG2 . ILE M 13 241 ? 50.450 -8.965 -88.947 1.00 68.10 ? 243 ILE O CG2 1 +ATOM 21238 C CD1 . ILE M 13 241 ? 51.514 -7.514 -86.182 1.00 78.74 ? 243 ILE O CD1 1 +ATOM 21239 N N . GLU M 13 242 ? 50.656 -12.200 -89.620 1.00 74.68 ? 244 GLU O N 1 +ATOM 21240 C CA . GLU M 13 242 ? 51.183 -12.860 -90.801 1.00 75.44 ? 244 GLU O CA 1 +ATOM 21241 C C . GLU M 13 242 ? 50.403 -12.395 -92.018 1.00 82.15 ? 244 GLU O C 1 +ATOM 21242 O O . GLU M 13 242 ? 49.239 -11.988 -91.897 1.00 70.09 ? 244 GLU O O 1 +ATOM 21243 C CB . GLU M 13 242 ? 51.113 -14.390 -90.676 1.00 78.25 ? 244 GLU O CB 1 +ATOM 21244 C CG . GLU M 13 242 ? 49.716 -14.941 -90.599 1.00 81.81 ? 244 GLU O CG 1 +ATOM 21245 C CD . GLU M 13 242 ? 49.692 -16.392 -90.173 1.00 80.39 ? 244 GLU O CD 1 +ATOM 21246 O OE1 . GLU M 13 242 ? 50.754 -16.915 -89.769 1.00 77.68 ? 244 GLU O OE1 1 +ATOM 21247 O OE2 . GLU M 13 242 ? 48.608 -17.010 -90.252 1.00 88.63 ? 244 GLU O OE2 1 +ATOM 21248 N N . PRO M 13 243 ? 51.030 -12.409 -93.200 1.00 91.60 ? 245 PRO O N 1 +ATOM 21249 C CA . PRO M 13 243 ? 50.289 -12.082 -94.423 1.00 84.05 ? 245 PRO O CA 1 +ATOM 21250 C C . PRO M 13 243 ? 49.266 -13.161 -94.731 1.00 77.20 ? 245 PRO O C 1 +ATOM 21251 O O . PRO M 13 243 ? 49.493 -14.348 -94.485 1.00 74.05 ? 245 PRO O O 1 +ATOM 21252 C CB . PRO M 13 243 ? 51.381 -12.005 -95.496 1.00 73.88 ? 245 PRO O CB 1 +ATOM 21253 C CG . PRO M 13 243 ? 52.511 -12.797 -94.949 1.00 87.29 ? 245 PRO O CG 1 +ATOM 21254 C CD . PRO M 13 243 ? 52.461 -12.641 -93.464 1.00 73.02 ? 245 PRO O CD 1 +ATOM 21255 N N . ALA M 13 244 ? 48.124 -12.733 -95.255 1.00 78.85 ? 246 ALA O N 1 +ATOM 21256 C CA . ALA M 13 244 ? 47.000 -13.635 -95.448 1.00 78.85 ? 246 ALA O CA 1 +ATOM 21257 C C . ALA M 13 244 ? 46.535 -13.650 -96.888 1.00 88.83 ? 246 ALA O C 1 +ATOM 21258 O O . ALA M 13 244 ? 45.955 -14.641 -97.329 1.00 97.38 ? 246 ALA O O 1 +ATOM 21259 C CB . ALA M 13 244 ? 45.857 -13.242 -94.543 1.00 88.80 ? 246 ALA O CB 1 +ATOM 21260 O OXT . ALA M 13 244 ? 46.716 -12.683 -97.626 1.00 92.09 ? 246 ALA O OXT 1 +HETATM 21261 N N . FME N 14 1 ? 22.090 -13.398 -33.467 1.00 45.34 ? 1 FME T N 1 +HETATM 21262 C CN . FME N 14 1 ? 23.338 -13.592 -33.861 1.00 48.00 ? 1 FME T CN 1 +HETATM 21263 O O1 . FME N 14 1 ? 24.048 -14.465 -33.403 1.00 57.19 ? 1 FME T O1 1 +HETATM 21264 C CA . FME N 14 1 ? 21.510 -13.929 -32.246 1.00 54.03 ? 1 FME T CA 1 +HETATM 21265 C CB . FME N 14 1 ? 20.169 -13.219 -32.097 1.00 55.05 ? 1 FME T CB 1 +HETATM 21266 C CG . FME N 14 1 ? 19.028 -13.915 -31.377 1.00 63.45 ? 1 FME T CG 1 +HETATM 21267 S SD . FME N 14 1 ? 17.479 -13.220 -31.919 1.00 72.74 ? 1 FME T SD 1 +HETATM 21268 C CE . FME N 14 1 ? 17.513 -11.737 -30.967 1.00 64.12 ? 1 FME T CE 1 +HETATM 21269 C C . FME N 14 1 ? 21.411 -15.447 -32.294 1.00 58.05 ? 1 FME T C 1 +HETATM 21270 O O . FME N 14 1 ? 21.714 -16.153 -31.298 1.00 47.21 ? 1 FME T O 1 +ATOM 21271 N N . GLU N 14 2 ? 21.044 -15.969 -33.461 1.00 43.14 ? 2 GLU T N 1 +ATOM 21272 C CA . GLU N 14 2 ? 20.834 -17.391 -33.626 1.00 44.46 ? 2 GLU T CA 1 +ATOM 21273 C C . GLU N 14 2 ? 22.201 -18.065 -33.731 1.00 43.15 ? 2 GLU T C 1 +ATOM 21274 O O . GLU N 14 2 ? 22.413 -19.136 -33.154 1.00 45.96 ? 2 GLU T O 1 +ATOM 21275 C CB . GLU N 14 2 ? 19.936 -17.678 -34.839 1.00 41.54 ? 2 GLU T CB 1 +ATOM 21276 C CG . GLU N 14 2 ? 20.519 -17.306 -36.148 1.00 49.70 ? 2 GLU T CG 1 +ATOM 21277 C CD . GLU N 14 2 ? 20.258 -15.840 -36.516 1.00 66.72 ? 2 GLU T CD 1 +ATOM 21278 O OE1 . GLU N 14 2 ? 20.441 -15.507 -37.697 1.00 55.62 ? 2 GLU T OE1 1 +ATOM 21279 O OE2 . GLU N 14 2 ? 19.844 -15.029 -35.653 1.00 57.73 ? 2 GLU T OE2 1 +ATOM 21280 N N . THR N 14 3 ? 23.152 -17.408 -34.393 1.00 44.90 ? 3 THR T N 1 +ATOM 21281 C CA . THR N 14 3 ? 24.512 -17.940 -34.440 1.00 46.79 ? 3 THR T CA 1 +ATOM 21282 C C . THR N 14 3 ? 25.121 -18.025 -33.049 1.00 47.52 ? 3 THR T C 1 +ATOM 21283 O O . THR N 14 3 ? 25.723 -19.044 -32.688 1.00 50.79 ? 3 THR T O 1 +ATOM 21284 C CB . THR N 14 3 ? 25.396 -17.073 -35.336 1.00 51.55 ? 3 THR T CB 1 +ATOM 21285 O OG1 . THR N 14 3 ? 24.864 -17.062 -36.658 1.00 50.34 ? 3 THR T OG1 1 +ATOM 21286 C CG2 . THR N 14 3 ? 26.802 -17.639 -35.367 1.00 47.81 ? 3 THR T CG2 1 +ATOM 21287 N N . ILE N 14 4 ? 24.980 -16.953 -32.251 1.00 45.27 ? 4 ILE T N 1 +ATOM 21288 C CA . ILE N 14 4 ? 25.458 -16.988 -30.869 1.00 40.64 ? 4 ILE T CA 1 +ATOM 21289 C C . ILE N 14 4 ? 24.801 -18.132 -30.108 1.00 43.44 ? 4 ILE T C 1 +ATOM 21290 O O . ILE N 14 4 ? 25.461 -18.861 -29.347 1.00 47.63 ? 4 ILE T O 1 +ATOM 21291 C CB . ILE N 14 4 ? 25.207 -15.631 -30.180 1.00 43.29 ? 4 ILE T CB 1 +ATOM 21292 C CG1 . ILE N 14 4 ? 26.064 -14.545 -30.845 1.00 51.74 ? 4 ILE T CG1 1 +ATOM 21293 C CG2 . ILE N 14 4 ? 25.461 -15.718 -28.624 1.00 38.74 ? 4 ILE T CG2 1 +ATOM 21294 C CD1 . ILE N 14 4 ? 25.696 -13.135 -30.443 1.00 50.52 ? 4 ILE T CD1 1 +ATOM 21295 N N . THR N 14 5 ? 23.491 -18.304 -30.284 1.00 43.85 ? 5 THR T N 1 +ATOM 21296 C CA . THR N 14 5 ? 22.801 -19.391 -29.590 1.00 48.81 ? 5 THR T CA 1 +ATOM 21297 C C . THR N 14 5 ? 23.395 -20.750 -29.966 1.00 52.89 ? 5 THR T C 1 +ATOM 21298 O O . THR N 14 5 ? 23.726 -21.560 -29.089 1.00 43.16 ? 5 THR T O 1 +ATOM 21299 C CB . THR N 14 5 ? 21.306 -19.338 -29.907 1.00 50.09 ? 5 THR T CB 1 +ATOM 21300 O OG1 . THR N 14 5 ? 20.769 -18.096 -29.442 1.00 46.76 ? 5 THR T OG1 1 +ATOM 21301 C CG2 . THR N 14 5 ? 20.565 -20.513 -29.260 1.00 50.51 ? 5 THR T CG2 1 +ATOM 21302 N N . TYR N 14 6 ? 23.570 -21.005 -31.271 1.00 46.25 ? 6 TYR T N 1 +ATOM 21303 C CA . TYR N 14 6 ? 24.082 -22.309 -31.703 1.00 49.77 ? 6 TYR T CA 1 +ATOM 21304 C C . TYR N 14 6 ? 25.470 -22.571 -31.128 1.00 39.57 ? 6 TYR T C 1 +ATOM 21305 O O . TYR N 14 6 ? 25.744 -23.656 -30.620 1.00 44.16 ? 6 TYR T O 1 +ATOM 21306 C CB . TYR N 14 6 ? 24.121 -22.404 -33.241 1.00 42.63 ? 6 TYR T CB 1 +ATOM 21307 C CG . TYR N 14 6 ? 22.786 -22.211 -33.921 1.00 45.48 ? 6 TYR T CG 1 +ATOM 21308 C CD1 . TYR N 14 6 ? 21.621 -22.773 -33.396 1.00 46.02 ? 6 TYR T CD1 1 +ATOM 21309 C CD2 . TYR N 14 6 ? 22.686 -21.474 -35.090 1.00 38.18 ? 6 TYR T CD2 1 +ATOM 21310 C CE1 . TYR N 14 6 ? 20.396 -22.596 -34.022 1.00 44.05 ? 6 TYR T CE1 1 +ATOM 21311 C CE2 . TYR N 14 6 ? 21.473 -21.285 -35.720 1.00 39.57 ? 6 TYR T CE2 1 +ATOM 21312 C CZ . TYR N 14 6 ? 20.327 -21.843 -35.176 1.00 43.81 ? 6 TYR T CZ 1 +ATOM 21313 O OH . TYR N 14 6 ? 19.109 -21.655 -35.789 1.00 46.07 ? 6 TYR T OH 1 +ATOM 21314 N N . VAL N 14 7 ? 26.369 -21.596 -31.235 1.00 44.39 ? 7 VAL T N 1 +ATOM 21315 C CA . VAL N 14 7 ? 27.734 -21.797 -30.765 1.00 44.66 ? 7 VAL T CA 1 +ATOM 21316 C C . VAL N 14 7 ? 27.764 -21.942 -29.245 1.00 47.55 ? 7 VAL T C 1 +ATOM 21317 O O . VAL N 14 7 ? 28.540 -22.734 -28.697 1.00 47.42 ? 7 VAL T O 1 +ATOM 21318 C CB . VAL N 14 7 ? 28.625 -20.641 -31.255 1.00 49.54 ? 7 VAL T CB 1 +ATOM 21319 C CG1 . VAL N 14 7 ? 30.025 -20.775 -30.704 1.00 51.38 ? 7 VAL T CG1 1 +ATOM 21320 C CG2 . VAL N 14 7 ? 28.632 -20.620 -32.789 1.00 43.77 ? 7 VAL T CG2 1 +ATOM 21321 N N . PHE N 14 8 ? 26.912 -21.195 -28.544 1.00 43.19 ? 8 PHE T N 1 +ATOM 21322 C CA . PHE N 14 8 ? 26.877 -21.277 -27.088 1.00 42.26 ? 8 PHE T CA 1 +ATOM 21323 C C . PHE N 14 8 ? 26.485 -22.669 -26.623 1.00 47.51 ? 8 PHE T C 1 +ATOM 21324 O O . PHE N 14 8 ? 27.141 -23.251 -25.748 1.00 46.54 ? 8 PHE T O 1 +ATOM 21325 C CB . PHE N 14 8 ? 25.909 -20.237 -26.526 1.00 47.21 ? 8 PHE T CB 1 +ATOM 21326 C CG . PHE N 14 8 ? 25.538 -20.465 -25.097 1.00 49.84 ? 8 PHE T CG 1 +ATOM 21327 C CD1 . PHE N 14 8 ? 26.392 -20.071 -24.070 1.00 53.67 ? 8 PHE T CD1 1 +ATOM 21328 C CD2 . PHE N 14 8 ? 24.338 -21.062 -24.773 1.00 48.12 ? 8 PHE T CD2 1 +ATOM 21329 C CE1 . PHE N 14 8 ? 26.055 -20.272 -22.736 1.00 62.35 ? 8 PHE T CE1 1 +ATOM 21330 C CE2 . PHE N 14 8 ? 24.001 -21.284 -23.429 1.00 65.26 ? 8 PHE T CE2 1 +ATOM 21331 C CZ . PHE N 14 8 ? 24.856 -20.870 -22.415 1.00 52.21 ? 8 PHE T CZ 1 +ATOM 21332 N N . ILE N 14 9 ? 25.410 -23.219 -27.194 1.00 45.74 ? 9 ILE T N 1 +ATOM 21333 C CA . ILE N 14 9 ? 25.001 -24.575 -26.852 1.00 44.06 ? 9 ILE T CA 1 +ATOM 21334 C C . ILE N 14 9 ? 26.128 -25.557 -27.156 1.00 49.04 ? 9 ILE T C 1 +ATOM 21335 O O . ILE N 14 9 ? 26.468 -26.417 -26.342 1.00 44.86 ? 9 ILE T O 1 +ATOM 21336 C CB . ILE N 14 9 ? 23.710 -24.948 -27.601 1.00 46.90 ? 9 ILE T CB 1 +ATOM 21337 C CG1 . ILE N 14 9 ? 22.554 -24.043 -27.157 1.00 48.33 ? 9 ILE T CG1 1 +ATOM 21338 C CG2 . ILE N 14 9 ? 23.373 -26.441 -27.368 1.00 40.19 ? 9 ILE T CG2 1 +ATOM 21339 C CD1 . ILE N 14 9 ? 21.270 -24.325 -27.904 1.00 50.15 ? 9 ILE T CD1 1 +ATOM 21340 N N . PHE N 14 10 ? 26.735 -25.431 -28.333 1.00 46.05 ? 10 PHE T N 1 +ATOM 21341 C CA . PHE N 14 10 ? 27.844 -26.304 -28.681 1.00 43.54 ? 10 PHE T CA 1 +ATOM 21342 C C . PHE N 14 10 ? 28.972 -26.206 -27.647 1.00 49.23 ? 10 PHE T C 1 +ATOM 21343 O O . PHE N 14 10 ? 29.524 -27.222 -27.210 1.00 47.73 ? 10 PHE T O 1 +ATOM 21344 C CB . PHE N 14 10 ? 28.331 -25.952 -30.085 1.00 43.40 ? 10 PHE T CB 1 +ATOM 21345 C CG . PHE N 14 10 ? 29.565 -26.668 -30.482 1.00 43.93 ? 10 PHE T CG 1 +ATOM 21346 C CD1 . PHE N 14 10 ? 29.515 -27.999 -30.861 1.00 47.74 ? 10 PHE T CD1 1 +ATOM 21347 C CD2 . PHE N 14 10 ? 30.783 -26.022 -30.452 1.00 50.33 ? 10 PHE T CD2 1 +ATOM 21348 C CE1 . PHE N 14 10 ? 30.657 -28.673 -31.216 1.00 50.53 ? 10 PHE T CE1 1 +ATOM 21349 C CE2 . PHE N 14 10 ? 31.937 -26.688 -30.816 1.00 47.20 ? 10 PHE T CE2 1 +ATOM 21350 C CZ . PHE N 14 10 ? 31.870 -28.017 -31.193 1.00 49.68 ? 10 PHE T CZ 1 +ATOM 21351 N N . ALA N 14 11 ? 29.328 -24.984 -27.248 1.00 46.15 ? 11 ALA T N 1 +ATOM 21352 C CA . ALA N 14 11 ? 30.412 -24.791 -26.291 1.00 49.12 ? 11 ALA T CA 1 +ATOM 21353 C C . ALA N 14 11 ? 30.088 -25.422 -24.942 1.00 52.65 ? 11 ALA T C 1 +ATOM 21354 O O . ALA N 14 11 ? 30.977 -25.973 -24.276 1.00 49.56 ? 11 ALA T O 1 +ATOM 21355 C CB . ALA N 14 11 ? 30.699 -23.288 -26.134 1.00 46.52 ? 11 ALA T CB 1 +ATOM 21356 N N . CYS N 14 12 ? 28.827 -25.333 -24.504 1.00 46.98 ? 12 CYS T N 1 +ATOM 21357 C CA . CYS N 14 12 ? 28.447 -25.981 -23.253 1.00 44.25 ? 12 CYS T CA 1 +ATOM 21358 C C . CYS N 14 12 ? 28.666 -27.492 -23.324 1.00 48.14 ? 12 CYS T C 1 +ATOM 21359 O O . CYS N 14 12 ? 29.095 -28.107 -22.344 1.00 45.58 ? 12 CYS T O 1 +ATOM 21360 C CB . CYS N 14 12 ? 26.987 -25.669 -22.907 1.00 43.44 ? 12 CYS T CB 1 +ATOM 21361 S SG . CYS N 14 12 ? 26.686 -23.939 -22.436 1.00 47.71 ? 12 CYS T SG 1 +ATOM 21362 N N . ILE N 14 13 ? 28.350 -28.112 -24.465 1.00 41.97 ? 13 ILE T N 1 +ATOM 21363 C CA . ILE N 14 13 ? 28.507 -29.563 -24.577 1.00 47.37 ? 13 ILE T CA 1 +ATOM 21364 C C . ILE N 14 13 ? 29.978 -29.953 -24.445 1.00 47.44 ? 13 ILE T C 1 +ATOM 21365 O O . ILE N 14 13 ? 30.317 -30.919 -23.746 1.00 46.48 ? 13 ILE T O 1 +ATOM 21366 C CB . ILE N 14 13 ? 27.902 -30.067 -25.900 1.00 44.41 ? 13 ILE T CB 1 +ATOM 21367 C CG1 . ILE N 14 13 ? 26.379 -29.900 -25.875 1.00 51.68 ? 13 ILE T CG1 1 +ATOM 21368 C CG2 . ILE N 14 13 ? 28.300 -31.534 -26.162 1.00 47.12 ? 13 ILE T CG2 1 +ATOM 21369 C CD1 . ILE N 14 13 ? 25.733 -30.069 -27.251 1.00 47.42 ? 13 ILE T CD1 1 +ATOM 21370 N N . ILE N 14 14 ? 30.871 -29.205 -25.106 1.00 48.66 ? 14 ILE T N 1 +ATOM 21371 C CA . ILE N 14 14 ? 32.302 -29.477 -24.995 1.00 55.71 ? 14 ILE T CA 1 +ATOM 21372 C C . ILE N 14 14 ? 32.773 -29.293 -23.555 1.00 50.07 ? 14 ILE T C 1 +ATOM 21373 O O . ILE N 14 14 ? 33.630 -30.043 -23.068 1.00 50.81 ? 14 ILE T O 1 +ATOM 21374 C CB . ILE N 14 14 ? 33.100 -28.578 -25.961 1.00 56.08 ? 14 ILE T CB 1 +ATOM 21375 C CG1 . ILE N 14 14 ? 32.584 -28.734 -27.388 1.00 51.93 ? 14 ILE T CG1 1 +ATOM 21376 C CG2 . ILE N 14 14 ? 34.596 -28.894 -25.869 1.00 51.18 ? 14 ILE T CG2 1 +ATOM 21377 C CD1 . ILE N 14 14 ? 32.615 -30.136 -27.888 1.00 48.88 ? 14 ILE T CD1 1 +ATOM 21378 N N . ALA N 14 15 ? 32.237 -28.287 -22.856 1.00 43.86 ? 15 ALA T N 1 +ATOM 21379 C CA . ALA N 14 15 ? 32.541 -28.165 -21.430 1.00 46.46 ? 15 ALA T CA 1 +ATOM 21380 C C . ALA N 14 15 ? 32.025 -29.371 -20.658 1.00 46.80 ? 15 ALA T C 1 +ATOM 21381 O O . ALA N 14 15 ? 32.685 -29.866 -19.735 1.00 52.76 ? 15 ALA T O 1 +ATOM 21382 C CB . ALA N 14 15 ? 31.950 -26.873 -20.861 1.00 40.66 ? 15 ALA T CB 1 +ATOM 21383 N N . LEU N 14 16 ? 30.849 -29.869 -21.030 1.00 51.04 ? 16 LEU T N 1 +ATOM 21384 C CA . LEU N 14 16 ? 30.275 -31.000 -20.319 1.00 48.28 ? 16 LEU T CA 1 +ATOM 21385 C C . LEU N 14 16 ? 31.134 -32.251 -20.499 1.00 54.47 ? 16 LEU T C 1 +ATOM 21386 O O . LEU N 14 16 ? 31.339 -33.010 -19.543 1.00 45.32 ? 16 LEU T O 1 +ATOM 21387 C CB . LEU N 14 16 ? 28.841 -31.232 -20.793 1.00 49.14 ? 16 LEU T CB 1 +ATOM 21388 C CG . LEU N 14 16 ? 28.158 -32.456 -20.165 1.00 62.88 ? 16 LEU T CG 1 +ATOM 21389 C CD1 . LEU N 14 16 ? 28.152 -32.313 -18.687 1.00 57.00 ? 16 LEU T CD1 1 +ATOM 21390 C CD2 . LEU N 14 16 ? 26.742 -32.601 -20.664 1.00 65.62 ? 16 LEU T CD2 1 +ATOM 21391 N N . PHE N 14 17 ? 31.652 -32.471 -21.716 1.00 45.42 ? 17 PHE T N 1 +ATOM 21392 C CA . PHE N 14 17 ? 32.595 -33.561 -21.966 1.00 47.93 ? 17 PHE T CA 1 +ATOM 21393 C C . PHE N 14 17 ? 33.745 -33.548 -20.971 1.00 45.47 ? 17 PHE T C 1 +ATOM 21394 O O . PHE N 14 17 ? 34.173 -34.599 -20.478 1.00 50.45 ? 17 PHE T O 1 +ATOM 21395 C CB . PHE N 14 17 ? 33.190 -33.452 -23.369 1.00 50.42 ? 17 PHE T CB 1 +ATOM 21396 C CG . PHE N 14 17 ? 32.246 -33.756 -24.475 1.00 49.17 ? 17 PHE T CG 1 +ATOM 21397 C CD1 . PHE N 14 17 ? 30.955 -34.184 -24.218 1.00 46.17 ? 17 PHE T CD1 1 +ATOM 21398 C CD2 . PHE N 14 17 ? 32.660 -33.598 -25.796 1.00 40.35 ? 17 PHE T CD2 1 +ATOM 21399 C CE1 . PHE N 14 17 ? 30.097 -34.461 -25.267 1.00 52.39 ? 17 PHE T CE1 1 +ATOM 21400 C CE2 . PHE N 14 17 ? 31.809 -33.862 -26.831 1.00 47.11 ? 17 PHE T CE2 1 +ATOM 21401 C CZ . PHE N 14 17 ? 30.528 -34.296 -26.574 1.00 50.72 ? 17 PHE T CZ 1 +ATOM 21402 N N . PHE N 14 18 ? 34.304 -32.360 -20.732 1.00 48.26 ? 18 PHE T N 1 +ATOM 21403 C CA . PHE N 14 18 ? 35.479 -32.220 -19.881 1.00 49.95 ? 18 PHE T CA 1 +ATOM 21404 C C . PHE N 14 18 ? 35.183 -32.672 -18.455 1.00 49.78 ? 18 PHE T C 1 +ATOM 21405 O O . PHE N 14 18 ? 35.954 -33.431 -17.852 1.00 48.66 ? 18 PHE T O 1 +ATOM 21406 C CB . PHE N 14 18 ? 35.949 -30.765 -19.918 1.00 43.39 ? 18 PHE T CB 1 +ATOM 21407 C CG . PHE N 14 18 ? 37.057 -30.450 -18.951 1.00 50.88 ? 18 PHE T CG 1 +ATOM 21408 C CD1 . PHE N 14 18 ? 38.389 -30.659 -19.304 1.00 57.91 ? 18 PHE T CD1 1 +ATOM 21409 C CD2 . PHE N 14 18 ? 36.771 -29.919 -17.707 1.00 46.99 ? 18 PHE T CD2 1 +ATOM 21410 C CE1 . PHE N 14 18 ? 39.413 -30.353 -18.413 1.00 54.02 ? 18 PHE T CE1 1 +ATOM 21411 C CE2 . PHE N 14 18 ? 37.786 -29.618 -16.811 1.00 56.23 ? 18 PHE T CE2 1 +ATOM 21412 C CZ . PHE N 14 18 ? 39.109 -29.844 -17.167 1.00 53.24 ? 18 PHE T CZ 1 +ATOM 21413 N N . PHE N 14 19 ? 34.060 -32.225 -17.902 1.00 44.76 ? 19 PHE T N 1 +ATOM 21414 C CA . PHE N 14 19 ? 33.731 -32.595 -16.537 1.00 51.82 ? 19 PHE T CA 1 +ATOM 21415 C C . PHE N 14 19 ? 33.322 -34.054 -16.433 1.00 52.32 ? 19 PHE T C 1 +ATOM 21416 O O . PHE N 14 19 ? 33.607 -34.709 -15.423 1.00 52.57 ? 19 PHE T O 1 +ATOM 21417 C CB . PHE N 14 19 ? 32.636 -31.675 -16.007 1.00 49.85 ? 19 PHE T CB 1 +ATOM 21418 C CG . PHE N 14 19 ? 33.109 -30.293 -15.787 1.00 49.68 ? 19 PHE T CG 1 +ATOM 21419 C CD1 . PHE N 14 19 ? 33.818 -29.974 -14.647 1.00 59.32 ? 19 PHE T CD1 1 +ATOM 21420 C CD2 . PHE N 14 19 ? 32.881 -29.309 -16.730 1.00 52.42 ? 19 PHE T CD2 1 +ATOM 21421 C CE1 . PHE N 14 19 ? 34.285 -28.688 -14.454 1.00 62.01 ? 19 PHE T CE1 1 +ATOM 21422 C CE2 . PHE N 14 19 ? 33.345 -28.038 -16.536 1.00 53.43 ? 19 PHE T CE2 1 +ATOM 21423 C CZ . PHE N 14 19 ? 34.045 -27.726 -15.390 1.00 52.57 ? 19 PHE T CZ 1 +ATOM 21424 N N . ALA N 14 20 ? 32.648 -34.580 -17.457 1.00 46.94 ? 20 ALA T N 1 +ATOM 21425 C CA . ALA N 14 20 ? 32.231 -35.979 -17.429 1.00 46.56 ? 20 ALA T CA 1 +ATOM 21426 C C . ALA N 14 20 ? 33.427 -36.926 -17.493 1.00 49.88 ? 20 ALA T C 1 +ATOM 21427 O O . ALA N 14 20 ? 33.371 -38.043 -16.961 1.00 45.80 ? 20 ALA T O 1 +ATOM 21428 C CB . ALA N 14 20 ? 31.276 -36.251 -18.591 1.00 49.65 ? 20 ALA T CB 1 +ATOM 21429 N N . ILE N 14 21 ? 34.507 -36.515 -18.153 1.00 43.81 ? 21 ILE T N 1 +ATOM 21430 C CA . ILE N 14 21 ? 35.673 -37.377 -18.228 1.00 44.28 ? 21 ILE T CA 1 +ATOM 21431 C C . ILE N 14 21 ? 36.555 -37.187 -17.000 1.00 48.81 ? 21 ILE T C 1 +ATOM 21432 O O . ILE N 14 21 ? 36.905 -38.153 -16.322 1.00 49.15 ? 21 ILE T O 1 +ATOM 21433 C CB . ILE N 14 21 ? 36.442 -37.109 -19.534 1.00 51.76 ? 21 ILE T CB 1 +ATOM 21434 C CG1 . ILE N 14 21 ? 35.635 -37.650 -20.725 1.00 45.64 ? 21 ILE T CG1 1 +ATOM 21435 C CG2 . ILE N 14 21 ? 37.850 -37.717 -19.471 1.00 47.71 ? 21 ILE T CG2 1 +ATOM 21436 C CD1 . ILE N 14 21 ? 36.118 -37.189 -22.072 1.00 47.11 ? 21 ILE T CD1 1 +ATOM 21437 N N . PHE N 14 22 ? 36.919 -35.947 -16.676 1.00 46.65 ? 22 PHE T N 1 +ATOM 21438 C CA . PHE N 14 22 ? 37.909 -35.730 -15.625 1.00 52.80 ? 22 PHE T CA 1 +ATOM 21439 C C . PHE N 14 22 ? 37.313 -35.540 -14.246 1.00 48.74 ? 22 PHE T C 1 +ATOM 21440 O O . PHE N 14 22 ? 38.034 -35.701 -13.263 1.00 58.04 ? 22 PHE T O 1 +ATOM 21441 C CB . PHE N 14 22 ? 38.780 -34.518 -15.963 1.00 53.37 ? 22 PHE T CB 1 +ATOM 21442 C CG . PHE N 14 22 ? 39.578 -34.702 -17.194 1.00 55.05 ? 22 PHE T CG 1 +ATOM 21443 C CD1 . PHE N 14 22 ? 40.677 -35.544 -17.190 1.00 53.85 ? 22 PHE T CD1 1 +ATOM 21444 C CD2 . PHE N 14 22 ? 39.201 -34.079 -18.379 1.00 53.82 ? 22 PHE T CD2 1 +ATOM 21445 C CE1 . PHE N 14 22 ? 41.422 -35.742 -18.350 1.00 58.77 ? 22 PHE T CE1 1 +ATOM 21446 C CE2 . PHE N 14 22 ? 39.938 -34.274 -19.543 1.00 63.76 ? 22 PHE T CE2 1 +ATOM 21447 C CZ . PHE N 14 22 ? 41.053 -35.111 -19.527 1.00 59.63 ? 22 PHE T CZ 1 +ATOM 21448 N N . PHE N 14 23 ? 36.033 -35.206 -14.141 1.00 48.25 ? 23 PHE T N 1 +ATOM 21449 C CA . PHE N 14 23 ? 35.383 -35.041 -12.847 1.00 50.01 ? 23 PHE T CA 1 +ATOM 21450 C C . PHE N 14 23 ? 34.184 -35.965 -12.739 1.00 45.17 ? 23 PHE T C 1 +ATOM 21451 O O . PHE N 14 23 ? 33.126 -35.610 -12.227 1.00 49.71 ? 23 PHE T O 1 +ATOM 21452 C CB . PHE N 14 23 ? 35.027 -33.577 -12.605 1.00 49.90 ? 23 PHE T CB 1 +ATOM 21453 C CG . PHE N 14 23 ? 36.236 -32.719 -12.410 1.00 60.47 ? 23 PHE T CG 1 +ATOM 21454 C CD1 . PHE N 14 23 ? 36.978 -32.805 -11.238 1.00 65.43 ? 23 PHE T CD1 1 +ATOM 21455 C CD2 . PHE N 14 23 ? 36.668 -31.867 -13.407 1.00 58.64 ? 23 PHE T CD2 1 +ATOM 21456 C CE1 . PHE N 14 23 ? 38.116 -32.039 -11.052 1.00 65.97 ? 23 PHE T CE1 1 +ATOM 21457 C CE2 . PHE N 14 23 ? 37.809 -31.083 -13.223 1.00 64.66 ? 23 PHE T CE2 1 +ATOM 21458 C CZ . PHE N 14 23 ? 38.531 -31.175 -12.049 1.00 71.13 ? 23 PHE T CZ 1 +ATOM 21459 N N A ARG N 14 24 ? 34.351 -37.184 -13.219 0.40 47.92 ? 24 ARG T N 1 +ATOM 21460 N N B ARG N 14 24 ? 34.351 -37.173 -13.265 0.60 47.86 ? 24 ARG T N 1 +ATOM 21461 C CA A ARG N 14 24 ? 33.369 -38.242 -13.053 0.40 48.10 ? 24 ARG T CA 1 +ATOM 21462 C CA B ARG N 14 24 ? 33.387 -38.243 -13.085 0.60 48.03 ? 24 ARG T CA 1 +ATOM 21463 C C A ARG N 14 24 ? 33.433 -38.819 -11.643 0.40 53.33 ? 24 ARG T C 1 +ATOM 21464 C C B ARG N 14 24 ? 33.446 -38.779 -11.661 0.60 53.36 ? 24 ARG T C 1 +ATOM 21465 O O A ARG N 14 24 ? 34.424 -38.668 -10.922 0.40 51.66 ? 24 ARG T O 1 +ATOM 21466 O O B ARG N 14 24 ? 34.418 -38.579 -10.927 0.60 51.61 ? 24 ARG T O 1 +ATOM 21467 C CB A ARG N 14 24 ? 33.633 -39.367 -14.042 0.40 50.77 ? 24 ARG T CB 1 +ATOM 21468 C CB B ARG N 14 24 ? 33.670 -39.386 -14.054 0.60 50.78 ? 24 ARG T CB 1 +ATOM 21469 C CG A ARG N 14 24 ? 34.964 -40.092 -13.780 0.40 53.83 ? 24 ARG T CG 1 +ATOM 21470 C CG B ARG N 14 24 ? 34.993 -40.100 -13.782 0.60 53.87 ? 24 ARG T CG 1 +ATOM 21471 C CD A ARG N 14 24 ? 35.093 -41.374 -14.605 0.40 55.76 ? 24 ARG T CD 1 +ATOM 21472 C CD B ARG N 14 24 ? 35.158 -41.331 -14.673 0.60 55.85 ? 24 ARG T CD 1 +ATOM 21473 N NE A ARG N 14 24 ? 36.348 -42.068 -14.334 0.40 52.97 ? 24 ARG T NE 1 +ATOM 21474 N NE B ARG N 14 24 ? 36.377 -42.073 -14.367 0.60 53.00 ? 24 ARG T NE 1 +ATOM 21475 C CZ A ARG N 14 24 ? 36.679 -43.254 -14.833 0.40 57.26 ? 24 ARG T CZ 1 +ATOM 21476 C CZ B ARG N 14 24 ? 36.702 -43.244 -14.900 0.60 57.42 ? 24 ARG T CZ 1 +ATOM 21477 N NH1 A ARG N 14 24 ? 35.872 -43.913 -15.660 0.40 50.16 ? 24 ARG T NH1 1 +ATOM 21478 N NH1 B ARG N 14 24 ? 35.912 -43.856 -15.770 0.60 50.13 ? 24 ARG T NH1 1 +ATOM 21479 N NH2 A ARG N 14 24 ? 37.850 -43.790 -14.502 0.40 52.14 ? 24 ARG T NH2 1 +ATOM 21480 N NH2 B ARG N 14 24 ? 37.850 -43.816 -14.554 0.60 52.06 ? 24 ARG T NH2 1 +ATOM 21481 N N A GLU N 14 25 ? 32.357 -39.506 -11.264 0.50 53.93 ? 25 GLU T N 1 +ATOM 21482 N N B GLU N 14 25 ? 32.392 -39.480 -11.282 0.50 53.95 ? 25 GLU T N 1 +ATOM 21483 C CA A GLU N 14 25 ? 32.383 -40.384 -10.105 0.50 61.55 ? 25 GLU T CA 1 +ATOM 21484 C CA B GLU N 14 25 ? 32.422 -40.296 -10.078 0.50 61.40 ? 25 GLU T CA 1 +ATOM 21485 C C A GLU N 14 25 ? 33.372 -41.502 -10.400 0.50 57.41 ? 25 GLU T C 1 +ATOM 21486 C C B GLU N 14 25 ? 33.300 -41.521 -10.318 0.50 57.34 ? 25 GLU T C 1 +ATOM 21487 O O A GLU N 14 25 ? 33.246 -42.167 -11.442 0.50 61.47 ? 25 GLU T O 1 +ATOM 21488 O O B GLU N 14 25 ? 32.997 -42.323 -11.211 0.50 61.75 ? 25 GLU T O 1 +ATOM 21489 C CB A GLU N 14 25 ? 31.014 -40.993 -9.793 0.50 64.11 ? 25 GLU T CB 1 +ATOM 21490 C CB B GLU N 14 25 ? 31.005 -40.707 -9.691 0.50 63.81 ? 25 GLU T CB 1 +ATOM 21491 C CG A GLU N 14 25 ? 29.811 -40.193 -10.239 0.50 60.55 ? 25 GLU T CG 1 +ATOM 21492 C CG B GLU N 14 25 ? 30.945 -41.837 -8.693 0.50 76.90 ? 25 GLU T CG 1 +ATOM 21493 C CD A GLU N 14 25 ? 28.521 -40.677 -9.597 0.50 59.53 ? 25 GLU T CD 1 +ATOM 21494 C CD B GLU N 14 25 ? 29.961 -41.574 -7.578 0.50 72.82 ? 25 GLU T CD 1 +ATOM 21495 O OE1 A GLU N 14 25 ? 28.455 -40.688 -8.349 0.50 60.58 ? 25 GLU T OE1 1 +ATOM 21496 O OE1 B GLU N 14 25 ? 30.282 -40.751 -6.695 0.50 78.51 ? 25 GLU T OE1 1 +ATOM 21497 O OE2 A GLU N 14 25 ? 27.582 -41.046 -10.333 0.50 37.55 ? 25 GLU T OE2 1 +ATOM 21498 O OE2 B GLU N 14 25 ? 28.870 -42.186 -7.589 0.50 81.90 ? 25 GLU T OE2 1 +ATOM 21499 N N . PRO N 14 26 ? 34.387 -41.694 -9.568 1.00 60.69 ? 26 PRO T N 1 +ATOM 21500 C CA . PRO N 14 26 ? 35.321 -42.785 -9.809 1.00 58.58 ? 26 PRO T CA 1 +ATOM 21501 C C . PRO N 14 26 ? 34.632 -44.122 -9.640 1.00 62.65 ? 26 PRO T C 1 +ATOM 21502 O O . PRO N 14 26 ? 33.879 -44.324 -8.677 1.00 65.02 ? 26 PRO T O 1 +ATOM 21503 C CB . PRO N 14 26 ? 36.398 -42.579 -8.731 1.00 67.03 ? 26 PRO T CB 1 +ATOM 21504 C CG . PRO N 14 26 ? 36.275 -41.127 -8.335 1.00 69.10 ? 26 PRO T CG 1 +ATOM 21505 C CD . PRO N 14 26 ? 34.813 -40.812 -8.463 1.00 72.96 ? 26 PRO T CD 1 +ATOM 21506 N N A PRO N 14 27 ? 34.842 -45.052 -10.569 0.40 57.67 ? 27 PRO T N 1 +ATOM 21507 N N B PRO N 14 27 ? 34.832 -45.051 -10.569 0.60 57.55 ? 27 PRO T N 1 +ATOM 21508 C CA A PRO N 14 27 ? 34.412 -46.433 -10.327 0.40 60.73 ? 27 PRO T CA 1 +ATOM 21509 C CA B PRO N 14 27 ? 34.403 -46.431 -10.316 0.60 60.63 ? 27 PRO T CA 1 +ATOM 21510 C C A PRO N 14 27 ? 35.291 -47.053 -9.245 0.40 67.00 ? 27 PRO T C 1 +ATOM 21511 C C B PRO N 14 27 ? 35.289 -47.050 -9.241 0.60 67.00 ? 27 PRO T C 1 +ATOM 21512 O O A PRO N 14 27 ? 36.518 -46.922 -9.267 0.40 69.30 ? 27 PRO T O 1 +ATOM 21513 O O B PRO N 14 27 ? 36.514 -46.903 -9.265 0.60 69.34 ? 27 PRO T O 1 +ATOM 21514 C CB A PRO N 14 27 ? 34.596 -47.110 -11.688 0.40 57.81 ? 27 PRO T CB 1 +ATOM 21515 C CB B PRO N 14 27 ? 34.570 -47.119 -11.676 0.60 57.76 ? 27 PRO T CB 1 +ATOM 21516 C CG A PRO N 14 27 ? 35.630 -46.277 -12.384 0.40 63.67 ? 27 PRO T CG 1 +ATOM 21517 C CG B PRO N 14 27 ? 35.545 -46.260 -12.428 0.60 63.69 ? 27 PRO T CG 1 +ATOM 21518 C CD A PRO N 14 27 ? 35.500 -44.876 -11.874 0.40 57.57 ? 27 PRO T CD 1 +ATOM 21519 C CD B PRO N 14 27 ? 35.387 -44.859 -11.919 0.60 57.50 ? 27 PRO T CD 1 +ATOM 21520 N N A ARG N 14 28 ? 34.649 -47.687 -8.270 0.40 69.20 ? 28 ARG T N 1 +ATOM 21521 N N B ARG N 14 28 ? 34.655 -47.707 -8.274 0.60 69.27 ? 28 ARG T N 1 +ATOM 21522 C CA A ARG N 14 28 ? 35.323 -48.272 -7.116 0.40 73.33 ? 28 ARG T CA 1 +ATOM 21523 C CA B ARG N 14 28 ? 35.331 -48.291 -7.121 0.60 73.33 ? 28 ARG T CA 1 +ATOM 21524 C C A ARG N 14 28 ? 34.909 -49.730 -6.998 0.40 71.00 ? 28 ARG T C 1 +ATOM 21525 C C B ARG N 14 28 ? 34.919 -49.748 -6.991 0.60 70.97 ? 28 ARG T C 1 +ATOM 21526 O O A ARG N 14 28 ? 33.710 -50.027 -6.926 0.40 70.55 ? 28 ARG T O 1 +ATOM 21527 O O B ARG N 14 28 ? 33.720 -50.050 -6.948 0.60 70.59 ? 28 ARG T O 1 +ATOM 21528 C CB A ARG N 14 28 ? 34.961 -47.525 -5.824 0.40 72.74 ? 28 ARG T CB 1 +ATOM 21529 C CB B ARG N 14 28 ? 34.978 -47.542 -5.829 0.60 72.68 ? 28 ARG T CB 1 +ATOM 21530 C CG A ARG N 14 28 ? 35.450 -46.099 -5.747 0.40 73.99 ? 28 ARG T CG 1 +ATOM 21531 C CG B ARG N 14 28 ? 35.479 -46.119 -5.757 0.60 73.97 ? 28 ARG T CG 1 +ATOM 21532 C CD A ARG N 14 28 ? 36.897 -46.057 -5.292 0.40 84.06 ? 28 ARG T CD 1 +ATOM 21533 C CD B ARG N 14 28 ? 36.884 -46.062 -5.188 0.60 84.18 ? 28 ARG T CD 1 +ATOM 21534 N NE A ARG N 14 28 ? 37.425 -44.697 -5.278 0.40 89.82 ? 28 ARG T NE 1 +ATOM 21535 N NE B ARG N 14 28 ? 37.411 -44.702 -5.204 0.60 90.04 ? 28 ARG T NE 1 +ATOM 21536 C CZ A ARG N 14 28 ? 38.279 -44.220 -6.174 0.40 81.05 ? 28 ARG T CZ 1 +ATOM 21537 C CZ B ARG N 14 28 ? 38.286 -44.251 -6.092 0.60 81.07 ? 28 ARG T CZ 1 +ATOM 21538 N NH1 A ARG N 14 28 ? 38.749 -44.979 -7.153 0.40 75.28 ? 28 ARG T NH1 1 +ATOM 21539 N NH1 B ARG N 14 28 ? 38.782 -45.038 -7.034 0.60 75.09 ? 28 ARG T NH1 1 +ATOM 21540 N NH2 A ARG N 14 28 ? 38.672 -42.950 -6.085 0.40 81.19 ? 28 ARG T NH2 1 +ATOM 21541 N NH2 B ARG N 14 28 ? 38.675 -42.979 -6.033 0.60 81.26 ? 28 ARG T NH2 1 +ATOM 21542 N N A ILE N 14 29 ? 35.891 -50.634 -6.947 0.40 75.93 ? 29 ILE T N 1 +ATOM 21543 N N B ILE N 14 29 ? 35.905 -50.643 -6.895 0.60 75.93 ? 29 ILE T N 1 +ATOM 21544 C CA A ILE N 14 29 ? 35.603 -52.068 -6.891 0.40 78.30 ? 29 ILE T CA 1 +ATOM 21545 C CA B ILE N 14 29 ? 35.634 -52.078 -6.843 0.60 78.27 ? 29 ILE T CA 1 +ATOM 21546 C C A ILE N 14 29 ? 35.173 -52.469 -5.482 0.40 90.74 ? 29 ILE T C 1 +ATOM 21547 C C B ILE N 14 29 ? 35.199 -52.481 -5.437 0.60 90.90 ? 29 ILE T C 1 +ATOM 21548 O O A ILE N 14 29 ? 35.681 -51.942 -4.483 0.40 86.03 ? 29 ILE T O 1 +ATOM 21549 O O B ILE N 14 29 ? 35.677 -51.931 -4.434 0.60 85.86 ? 29 ILE T O 1 +ATOM 21550 C CB A ILE N 14 29 ? 36.827 -52.881 -7.347 0.40 80.83 ? 29 ILE T CB 1 +ATOM 21551 C CB B ILE N 14 29 ? 36.873 -52.875 -7.294 0.60 80.91 ? 29 ILE T CB 1 +ATOM 21552 C CG1 A ILE N 14 29 ? 37.300 -52.418 -8.719 0.40 76.01 ? 29 ILE T CG1 1 +ATOM 21553 C CG1 B ILE N 14 29 ? 37.374 -52.376 -8.647 0.60 76.13 ? 29 ILE T CG1 1 +ATOM 21554 C CG2 A ILE N 14 29 ? 36.502 -54.361 -7.408 0.40 85.25 ? 29 ILE T CG2 1 +ATOM 21555 C CG2 B ILE N 14 29 ? 36.560 -54.352 -7.404 0.60 85.28 ? 29 ILE T CG2 1 +ATOM 21556 C CD1 A ILE N 14 29 ? 38.678 -52.926 -9.074 0.40 78.24 ? 29 ILE T CD1 1 +ATOM 21557 C CD1 B ILE N 14 29 ? 38.730 -52.939 -9.027 0.60 78.30 ? 29 ILE T CD1 1 +ATOM 21558 N N A THR N 14 30 ? 34.213 -53.394 -5.403 0.40 113.89 ? 30 THR T N 1 +ATOM 21559 N N B THR N 14 30 ? 34.264 -53.428 -5.366 0.60 114.08 ? 30 THR T N 1 +ATOM 21560 C CA A THR N 14 30 ? 33.930 -54.155 -4.176 0.40 127.00 ? 30 THR T CA 1 +ATOM 21561 C CA B THR N 14 30 ? 33.971 -54.182 -4.140 0.60 127.27 ? 30 THR T CA 1 +ATOM 21562 C C A THR N 14 30 ? 33.489 -55.566 -4.547 0.40 122.69 ? 30 THR T C 1 +ATOM 21563 C C B THR N 14 30 ? 33.531 -55.587 -4.530 0.60 122.85 ? 30 THR T C 1 +ATOM 21564 O O A THR N 14 30 ? 32.672 -55.745 -5.456 0.40 112.28 ? 30 THR T O 1 +ATOM 21565 O O B THR N 14 30 ? 32.826 -55.762 -5.529 0.60 112.85 ? 30 THR T O 1 +ATOM 21566 C CB A THR N 14 30 ? 32.833 -53.506 -3.288 0.40 127.63 ? 30 THR T CB 1 +ATOM 21567 C CB B THR N 14 30 ? 32.867 -53.532 -3.266 0.60 127.72 ? 30 THR T CB 1 +ATOM 21568 O OG1 A THR N 14 30 ? 31.857 -52.850 -4.108 0.40 127.28 ? 30 THR T OG1 1 +ATOM 21569 O OG1 B THR N 14 30 ? 31.880 -52.912 -4.102 0.60 127.48 ? 30 THR T OG1 1 +ATOM 21570 C CG2 A THR N 14 30 ? 33.436 -52.515 -2.291 0.40 133.62 ? 30 THR T CG2 1 +ATOM 21571 C CG2 B THR N 14 30 ? 33.453 -52.505 -2.299 0.60 133.71 ? 30 THR T CG2 1 +ATOM 21572 N N . LEU O 15 9 ? 9.856 -4.723 -66.346 1.00 80.14 ? 9 LEU U N 1 +ATOM 21573 C CA . LEU O 15 9 ? 10.422 -6.040 -66.041 1.00 73.36 ? 9 LEU U CA 1 +ATOM 21574 C C . LEU O 15 9 ? 9.647 -7.123 -66.751 1.00 56.92 ? 9 LEU U C 1 +ATOM 21575 O O . LEU O 15 9 ? 8.535 -7.457 -66.366 1.00 79.28 ? 9 LEU U O 1 +ATOM 21576 C CB . LEU O 15 9 ? 10.432 -6.310 -64.535 1.00 58.96 ? 9 LEU U CB 1 +ATOM 21577 C CG . LEU O 15 9 ? 11.568 -5.621 -63.783 1.00 72.87 ? 9 LEU U CG 1 +ATOM 21578 C CD1 . LEU O 15 9 ? 11.468 -5.881 -62.294 1.00 70.43 ? 9 LEU U CD1 1 +ATOM 21579 C CD2 . LEU O 15 9 ? 12.892 -6.101 -64.295 1.00 76.23 ? 9 LEU U CD2 1 +ATOM 21580 N N . VAL O 15 10 ? 10.244 -7.687 -67.791 1.00 69.62 ? 10 VAL U N 1 +ATOM 21581 C CA . VAL O 15 10 ? 9.576 -8.678 -68.625 1.00 55.08 ? 10 VAL U CA 1 +ATOM 21582 C C . VAL O 15 10 ? 10.592 -9.740 -69.041 1.00 57.64 ? 10 VAL U C 1 +ATOM 21583 O O . VAL O 15 10 ? 11.776 -9.446 -69.258 1.00 51.91 ? 10 VAL U O 1 +ATOM 21584 C CB . VAL O 15 10 ? 8.898 -7.981 -69.830 1.00 78.33 ? 10 VAL U CB 1 +ATOM 21585 C CG1 . VAL O 15 10 ? 9.500 -8.408 -71.185 1.00 66.81 ? 10 VAL U CG1 1 +ATOM 21586 C CG2 . VAL O 15 10 ? 7.391 -8.196 -69.773 1.00 87.27 ? 10 VAL U CG2 1 +ATOM 21587 N N . ASN O 15 11 ? 10.143 -10.989 -69.090 1.00 49.52 ? 11 ASN U N 1 +ATOM 21588 C CA . ASN O 15 11 ? 10.978 -12.082 -69.566 1.00 49.04 ? 11 ASN U CA 1 +ATOM 21589 C C . ASN O 15 11 ? 10.937 -12.020 -71.090 1.00 59.68 ? 11 ASN U C 1 +ATOM 21590 O O . ASN O 15 11 ? 9.866 -12.202 -71.683 1.00 56.76 ? 11 ASN U O 1 +ATOM 21591 C CB . ASN O 15 11 ? 10.452 -13.410 -69.007 1.00 48.24 ? 11 ASN U CB 1 +ATOM 21592 C CG . ASN O 15 11 ? 11.237 -14.636 -69.495 1.00 51.84 ? 11 ASN U CG 1 +ATOM 21593 O OD1 . ASN O 15 11 ? 11.459 -14.823 -70.685 1.00 48.71 ? 11 ASN U OD1 1 +ATOM 21594 N ND2 . ASN O 15 11 ? 11.651 -15.470 -68.564 1.00 49.84 ? 11 ASN U ND2 1 +ATOM 21595 N N . VAL O 15 12 ? 12.081 -11.726 -71.732 1.00 45.32 ? 12 VAL U N 1 +ATOM 21596 C CA . VAL O 15 12 ? 12.053 -11.514 -73.182 1.00 55.24 ? 12 VAL U CA 1 +ATOM 21597 C C . VAL O 15 12 ? 11.783 -12.804 -73.940 1.00 58.75 ? 12 VAL U C 1 +ATOM 21598 O O . VAL O 15 12 ? 11.256 -12.753 -75.060 1.00 56.78 ? 12 VAL U O 1 +ATOM 21599 C CB . VAL O 15 12 ? 13.346 -10.859 -73.716 1.00 52.13 ? 12 VAL U CB 1 +ATOM 21600 C CG1 . VAL O 15 12 ? 13.507 -9.431 -73.136 1.00 47.79 ? 12 VAL U CG1 1 +ATOM 21601 C CG2 . VAL O 15 12 ? 14.581 -11.733 -73.454 1.00 49.47 ? 12 VAL U CG2 1 +ATOM 21602 N N . VAL O 15 13 ? 12.108 -13.971 -73.361 1.00 57.34 ? 13 VAL U N 1 +ATOM 21603 C CA . VAL O 15 13 ? 11.866 -15.223 -74.072 1.00 48.26 ? 13 VAL U CA 1 +ATOM 21604 C C . VAL O 15 13 ? 10.370 -15.526 -74.124 1.00 51.05 ? 13 VAL U C 1 +ATOM 21605 O O . VAL O 15 13 ? 9.826 -15.823 -75.191 1.00 52.34 ? 13 VAL U O 1 +ATOM 21606 C CB . VAL O 15 13 ? 12.667 -16.375 -73.445 1.00 52.81 ? 13 VAL U CB 1 +ATOM 21607 C CG1 . VAL O 15 13 ? 12.217 -17.703 -74.052 1.00 46.33 ? 13 VAL U CG1 1 +ATOM 21608 C CG2 . VAL O 15 13 ? 14.164 -16.161 -73.692 1.00 51.97 ? 13 VAL U CG2 1 +ATOM 21609 N N . ASP O 15 14 ? 9.677 -15.434 -72.983 1.00 50.99 ? 14 ASP U N 1 +ATOM 21610 C CA . ASP O 15 14 ? 8.219 -15.550 -72.996 1.00 51.75 ? 14 ASP U CA 1 +ATOM 21611 C C . ASP O 15 14 ? 7.584 -14.574 -73.978 1.00 59.75 ? 14 ASP U C 1 +ATOM 21612 O O . ASP O 15 14 ? 6.632 -14.916 -74.690 1.00 51.15 ? 14 ASP U O 1 +ATOM 21613 C CB . ASP O 15 14 ? 7.658 -15.297 -71.603 1.00 51.61 ? 14 ASP U CB 1 +ATOM 21614 C CG . ASP O 15 14 ? 7.966 -16.414 -70.650 1.00 47.25 ? 14 ASP U CG 1 +ATOM 21615 O OD1 . ASP O 15 14 ? 7.856 -17.579 -71.055 1.00 52.20 ? 14 ASP U OD1 1 +ATOM 21616 O OD2 . ASP O 15 14 ? 8.326 -16.127 -69.510 1.00 55.42 ? 14 ASP U OD2 1 +ATOM 21617 N N . GLU O 15 15 ? 8.090 -13.342 -74.012 1.00 52.93 ? 15 GLU U N 1 +ATOM 21618 C CA . GLU O 15 15 ? 7.546 -12.344 -74.918 1.00 58.85 ? 15 GLU U CA 1 +ATOM 21619 C C . GLU O 15 15 ? 7.746 -12.763 -76.369 1.00 56.62 ? 15 GLU U C 1 +ATOM 21620 O O . GLU O 15 15 ? 6.813 -12.697 -77.179 1.00 59.08 ? 15 GLU U O 1 +ATOM 21621 C CB . GLU O 15 15 ? 8.214 -11.010 -74.623 1.00 63.61 ? 15 GLU U CB 1 +ATOM 21622 C CG . GLU O 15 15 ? 7.733 -9.864 -75.441 1.00 88.52 ? 15 GLU U CG 1 +ATOM 21623 C CD . GLU O 15 15 ? 8.321 -8.578 -74.937 1.00 103.14 ? 15 GLU U CD 1 +ATOM 21624 O OE1 . GLU O 15 15 ? 9.432 -8.217 -75.396 1.00 92.31 ? 15 GLU U OE1 1 +ATOM 21625 O OE2 . GLU O 15 15 ? 7.690 -7.961 -74.047 1.00 117.67 ? 15 GLU U OE2 1 +ATOM 21626 N N . LYS O 15 16 ? 8.938 -13.266 -76.699 1.00 52.10 ? 16 LYS U N 1 +ATOM 21627 C CA . LYS O 15 16 ? 9.188 -13.745 -78.056 1.00 53.35 ? 16 LYS U CA 1 +ATOM 21628 C C . LYS O 15 16 ? 8.213 -14.842 -78.454 1.00 54.03 ? 16 LYS U C 1 +ATOM 21629 O O . LYS O 15 16 ? 7.944 -15.040 -79.648 1.00 53.45 ? 16 LYS U O 1 +ATOM 21630 C CB . LYS O 15 16 ? 10.619 -14.255 -78.173 1.00 46.79 ? 16 LYS U CB 1 +ATOM 21631 C CG . LYS O 15 16 ? 11.185 -14.164 -79.554 1.00 65.23 ? 16 LYS U CG 1 +ATOM 21632 C CD . LYS O 15 16 ? 11.522 -12.739 -79.874 1.00 67.69 ? 16 LYS U CD 1 +ATOM 21633 C CE . LYS O 15 16 ? 12.578 -12.670 -80.949 1.00 62.36 ? 16 LYS U CE 1 +ATOM 21634 N NZ . LYS O 15 16 ? 12.617 -11.305 -81.589 1.00 61.00 ? 16 LYS U NZ 1 +ATOM 21635 N N . LEU O 15 17 ? 7.697 -15.590 -77.477 1.00 56.15 ? 17 LEU U N 1 +ATOM 21636 C CA . LEU O 15 17 ? 6.764 -16.665 -77.794 1.00 57.49 ? 17 LEU U CA 1 +ATOM 21637 C C . LEU O 15 17 ? 5.431 -16.129 -78.297 1.00 54.54 ? 17 LEU U C 1 +ATOM 21638 O O . LEU O 15 17 ? 4.670 -16.887 -78.898 1.00 59.70 ? 17 LEU U O 1 +ATOM 21639 C CB . LEU O 15 17 ? 6.534 -17.557 -76.560 1.00 54.06 ? 17 LEU U CB 1 +ATOM 21640 C CG . LEU O 15 17 ? 7.654 -18.508 -76.089 1.00 60.28 ? 17 LEU U CG 1 +ATOM 21641 C CD1 . LEU O 15 17 ? 7.237 -19.221 -74.794 1.00 47.31 ? 17 LEU U CD1 1 +ATOM 21642 C CD2 . LEU O 15 17 ? 8.005 -19.528 -77.165 1.00 49.68 ? 17 LEU U CD2 1 +ATOM 21643 N N . GLY O 15 18 ? 5.109 -14.861 -78.022 1.00 52.43 ? 18 GLY U N 1 +ATOM 21644 C CA . GLY O 15 18 ? 3.892 -14.287 -78.539 1.00 49.13 ? 18 GLY U CA 1 +ATOM 21645 C C . GLY O 15 18 ? 4.008 -13.720 -79.941 1.00 60.79 ? 18 GLY U C 1 +ATOM 21646 O O . GLY O 15 18 ? 3.038 -13.163 -80.460 1.00 62.10 ? 18 GLY U O 1 +ATOM 21647 N N . THR O 15 19 ? 5.175 -13.833 -80.566 1.00 55.57 ? 19 THR U N 1 +ATOM 21648 C CA . THR O 15 19 ? 5.410 -13.388 -81.929 1.00 54.59 ? 19 THR U CA 1 +ATOM 21649 C C . THR O 15 19 ? 5.503 -14.608 -82.836 1.00 57.93 ? 19 THR U C 1 +ATOM 21650 O O . THR O 15 19 ? 5.283 -15.747 -82.408 1.00 61.47 ? 19 THR U O 1 +ATOM 21651 C CB . THR O 15 19 ? 6.687 -12.534 -82.023 1.00 57.34 ? 19 THR U CB 1 +ATOM 21652 O OG1 . THR O 15 19 ? 7.845 -13.375 -81.950 1.00 56.99 ? 19 THR U OG1 1 +ATOM 21653 C CG2 . THR O 15 19 ? 6.756 -11.492 -80.904 1.00 45.53 ? 19 THR U CG2 1 +ATOM 21654 N N . ALA O 15 20 ? 5.854 -14.370 -84.102 1.00 60.72 ? 20 ALA U N 1 +ATOM 21655 C CA . ALA O 15 20 ? 5.911 -15.463 -85.064 1.00 68.78 ? 20 ALA U CA 1 +ATOM 21656 C C . ALA O 15 20 ? 6.960 -16.499 -84.682 1.00 55.23 ? 20 ALA U C 1 +ATOM 21657 O O . ALA O 15 20 ? 6.874 -17.644 -85.136 1.00 59.36 ? 20 ALA U O 1 +ATOM 21658 C CB . ALA O 15 20 ? 6.184 -14.915 -86.469 1.00 70.00 ? 20 ALA U CB 1 +ATOM 21659 N N . TYR O 15 21 ? 7.952 -16.107 -83.871 1.00 62.47 ? 21 TYR U N 1 +ATOM 21660 C CA . TYR O 15 21 ? 8.912 -17.058 -83.319 1.00 57.63 ? 21 TYR U CA 1 +ATOM 21661 C C . TYR O 15 21 ? 8.207 -18.204 -82.611 1.00 56.28 ? 21 TYR U C 1 +ATOM 21662 O O . TYR O 15 21 ? 8.698 -19.333 -82.622 1.00 55.60 ? 21 TYR U O 1 +ATOM 21663 C CB . TYR O 15 21 ? 9.877 -16.343 -82.352 1.00 58.87 ? 21 TYR U CB 1 +ATOM 21664 C CG . TYR O 15 21 ? 10.746 -17.288 -81.539 1.00 61.78 ? 21 TYR U CG 1 +ATOM 21665 C CD1 . TYR O 15 21 ? 10.290 -17.835 -80.331 1.00 65.06 ? 21 TYR U CD1 1 +ATOM 21666 C CD2 . TYR O 15 21 ? 12.025 -17.633 -81.969 1.00 56.79 ? 21 TYR U CD2 1 +ATOM 21667 C CE1 . TYR O 15 21 ? 11.082 -18.720 -79.593 1.00 54.73 ? 21 TYR U CE1 1 +ATOM 21668 C CE2 . TYR O 15 21 ? 12.828 -18.510 -81.233 1.00 52.87 ? 21 TYR U CE2 1 +ATOM 21669 C CZ . TYR O 15 21 ? 12.356 -19.044 -80.048 1.00 59.86 ? 21 TYR U CZ 1 +ATOM 21670 O OH . TYR O 15 21 ? 13.159 -19.920 -79.332 1.00 60.54 ? 21 TYR U OH 1 +ATOM 21671 N N . GLY O 15 22 ? 7.056 -17.943 -81.998 1.00 57.87 ? 22 GLY U N 1 +ATOM 21672 C CA . GLY O 15 22 ? 6.323 -19.014 -81.358 1.00 56.16 ? 22 GLY U CA 1 +ATOM 21673 C C . GLY O 15 22 ? 5.478 -19.877 -82.273 1.00 62.09 ? 22 GLY U C 1 +ATOM 21674 O O . GLY O 15 22 ? 4.725 -20.726 -81.785 1.00 62.29 ? 22 GLY U O 1 +ATOM 21675 N N . GLU O 15 23 ? 5.555 -19.689 -83.587 1.00 61.92 ? 23 GLU U N 1 +ATOM 21676 C CA . GLU O 15 23 ? 4.773 -20.532 -84.488 1.00 72.68 ? 23 GLU U CA 1 +ATOM 21677 C C . GLU O 15 23 ? 5.512 -20.984 -85.730 1.00 54.49 ? 23 GLU U C 1 +ATOM 21678 O O . GLU O 15 23 ? 5.079 -21.962 -86.340 1.00 61.91 ? 23 GLU U O 1 +ATOM 21679 C CB . GLU O 15 23 ? 3.483 -19.832 -84.919 1.00 67.21 ? 23 GLU U CB 1 +ATOM 21680 C CG . GLU O 15 23 ? 3.655 -18.400 -85.280 1.00 80.05 ? 23 GLU U CG 1 +ATOM 21681 C CD . GLU O 15 23 ? 2.387 -17.826 -85.884 1.00 119.09 ? 23 GLU U CD 1 +ATOM 21682 O OE1 . GLU O 15 23 ? 1.952 -18.338 -86.946 1.00 124.65 ? 23 GLU U OE1 1 +ATOM 21683 O OE2 . GLU O 15 23 ? 1.821 -16.879 -85.288 1.00 113.05 ? 23 GLU U OE2 1 +ATOM 21684 N N . LYS O 15 24 ? 6.602 -20.349 -86.124 1.00 55.87 ? 24 LYS U N 1 +ATOM 21685 C CA . LYS O 15 24 ? 7.359 -20.790 -87.282 1.00 62.23 ? 24 LYS U CA 1 +ATOM 21686 C C . LYS O 15 24 ? 8.834 -20.850 -86.921 1.00 54.29 ? 24 LYS U C 1 +ATOM 21687 O O . LYS O 15 24 ? 9.243 -20.473 -85.821 1.00 58.52 ? 24 LYS U O 1 +ATOM 21688 C CB . LYS O 15 24 ? 7.127 -19.849 -88.473 1.00 65.13 ? 24 LYS U CB 1 +ATOM 21689 C CG . LYS O 15 24 ? 5.656 -19.630 -88.757 1.00 71.54 ? 24 LYS U CG 1 +ATOM 21690 C CD . LYS O 15 24 ? 5.414 -19.221 -90.171 1.00 72.81 ? 24 LYS U CD 1 +ATOM 21691 C CE . LYS O 15 24 ? 3.924 -19.229 -90.462 1.00 97.36 ? 24 LYS U CE 1 +ATOM 21692 N NZ . LYS O 15 24 ? 3.625 -18.911 -91.893 1.00 118.80 ? 24 LYS U NZ 1 +ATOM 21693 N N . ILE O 15 25 ? 9.646 -21.311 -87.863 1.00 56.52 ? 25 ILE U N 1 +ATOM 21694 C CA . ILE O 15 25 ? 11.093 -21.254 -87.706 1.00 57.19 ? 25 ILE U CA 1 +ATOM 21695 C C . ILE O 15 25 ? 11.529 -19.823 -87.988 1.00 56.73 ? 25 ILE U C 1 +ATOM 21696 O O . ILE O 15 25 ? 11.390 -19.320 -89.104 1.00 63.09 ? 25 ILE U O 1 +ATOM 21697 C CB . ILE O 15 25 ? 11.801 -22.253 -88.622 1.00 63.75 ? 25 ILE U CB 1 +ATOM 21698 C CG1 . ILE O 15 25 ? 11.340 -23.680 -88.290 1.00 61.88 ? 25 ILE U CG1 1 +ATOM 21699 C CG2 . ILE O 15 25 ? 13.323 -22.115 -88.502 1.00 52.21 ? 25 ILE U CG2 1 +ATOM 21700 C CD1 . ILE O 15 25 ? 11.678 -24.694 -89.378 1.00 59.51 ? 25 ILE U CD1 1 +ATOM 21701 N N . ASP O 15 26 ? 12.025 -19.154 -86.957 1.00 56.95 ? 26 ASP U N 1 +ATOM 21702 C CA . ASP O 15 26 ? 12.579 -17.811 -87.055 1.00 52.45 ? 26 ASP U CA 1 +ATOM 21703 C C . ASP O 15 26 ? 14.026 -17.948 -87.520 1.00 60.16 ? 26 ASP U C 1 +ATOM 21704 O O . ASP O 15 26 ? 14.870 -18.488 -86.793 1.00 53.91 ? 26 ASP U O 1 +ATOM 21705 C CB . ASP O 15 26 ? 12.452 -17.136 -85.686 1.00 54.43 ? 26 ASP U CB 1 +ATOM 21706 C CG . ASP O 15 26 ? 12.943 -15.689 -85.652 1.00 59.15 ? 26 ASP U CG 1 +ATOM 21707 O OD1 . ASP O 15 26 ? 13.632 -15.213 -86.599 1.00 62.32 ? 26 ASP U OD1 1 +ATOM 21708 O OD2 . ASP O 15 26 ? 12.619 -15.028 -84.637 1.00 52.99 ? 26 ASP U OD2 1 +ATOM 21709 N N . LEU O 15 27 ? 14.309 -17.493 -88.747 1.00 55.34 ? 27 LEU U N 1 +ATOM 21710 C CA . LEU O 15 27 ? 15.655 -17.595 -89.305 1.00 54.57 ? 27 LEU U CA 1 +ATOM 21711 C C . LEU O 15 27 ? 16.670 -16.820 -88.489 1.00 55.08 ? 27 LEU U C 1 +ATOM 21712 O O . LEU O 15 27 ? 17.874 -17.091 -88.588 1.00 50.37 ? 27 LEU U O 1 +ATOM 21713 C CB . LEU O 15 27 ? 15.674 -17.071 -90.745 1.00 50.41 ? 27 LEU U CB 1 +ATOM 21714 C CG . LEU O 15 27 ? 14.640 -17.695 -91.678 1.00 61.78 ? 27 LEU U CG 1 +ATOM 21715 C CD1 . LEU O 15 27 ? 14.760 -17.104 -93.085 1.00 59.52 ? 27 LEU U CD1 1 +ATOM 21716 C CD2 . LEU O 15 27 ? 14.777 -19.223 -91.690 1.00 54.09 ? 27 LEU U CD2 1 +ATOM 21717 N N . ASN O 15 28 ? 16.209 -15.845 -87.709 1.00 48.79 ? 28 ASN U N 1 +ATOM 21718 C CA . ASN O 15 28 ? 17.100 -15.011 -86.918 1.00 59.25 ? 28 ASN U CA 1 +ATOM 21719 C C . ASN O 15 28 ? 17.357 -15.554 -85.515 1.00 57.80 ? 28 ASN U C 1 +ATOM 21720 O O . ASN O 15 28 ? 18.342 -15.155 -84.885 1.00 61.27 ? 28 ASN U O 1 +ATOM 21721 C CB . ASN O 15 28 ? 16.531 -13.591 -86.815 1.00 56.95 ? 28 ASN U CB 1 +ATOM 21722 C CG . ASN O 15 28 ? 16.672 -12.805 -88.134 1.00 65.90 ? 28 ASN U CG 1 +ATOM 21723 O OD1 . ASN O 15 28 ? 17.417 -13.206 -89.024 1.00 57.39 ? 28 ASN U OD1 1 +ATOM 21724 N ND2 . ASN O 15 28 ? 15.980 -11.678 -88.238 1.00 54.94 ? 28 ASN U ND2 1 +ATOM 21725 N N . ASN O 15 29 ? 16.513 -16.459 -85.013 1.00 53.39 ? 29 ASN U N 1 +ATOM 21726 C CA . ASN O 15 29 ? 16.584 -16.814 -83.598 1.00 50.42 ? 29 ASN U CA 1 +ATOM 21727 C C . ASN O 15 29 ? 16.489 -18.297 -83.297 1.00 53.81 ? 29 ASN U C 1 +ATOM 21728 O O . ASN O 15 29 ? 17.056 -18.721 -82.287 1.00 53.83 ? 29 ASN U O 1 +ATOM 21729 C CB . ASN O 15 29 ? 15.478 -16.100 -82.818 1.00 47.81 ? 29 ASN U CB 1 +ATOM 21730 C CG . ASN O 15 29 ? 15.733 -14.622 -82.707 1.00 56.82 ? 29 ASN U CG 1 +ATOM 21731 O OD1 . ASN O 15 29 ? 16.682 -14.210 -82.037 1.00 50.91 ? 29 ASN U OD1 1 +ATOM 21732 N ND2 . ASN O 15 29 ? 14.918 -13.816 -83.387 1.00 51.34 ? 29 ASN U ND2 1 +ATOM 21733 N N . THR O 15 30 ? 15.802 -19.095 -84.106 1.00 53.74 ? 30 THR U N 1 +ATOM 21734 C CA . THR O 15 30 ? 15.464 -20.444 -83.693 1.00 54.58 ? 30 THR U CA 1 +ATOM 21735 C C . THR O 15 30 ? 16.701 -21.330 -83.703 1.00 57.23 ? 30 THR U C 1 +ATOM 21736 O O . THR O 15 30 ? 17.565 -21.216 -84.582 1.00 54.97 ? 30 THR U O 1 +ATOM 21737 C CB . THR O 15 30 ? 14.368 -21.016 -84.596 1.00 55.96 ? 30 THR U CB 1 +ATOM 21738 O OG1 . THR O 15 30 ? 13.239 -20.138 -84.537 1.00 53.50 ? 30 THR U OG1 1 +ATOM 21739 C CG2 . THR O 15 30 ? 13.951 -22.389 -84.136 1.00 51.85 ? 30 THR U CG2 1 +ATOM 21740 N N . ASN O 15 31 ? 16.789 -22.195 -82.695 1.00 48.59 ? 31 ASN U N 1 +ATOM 21741 C CA . ASN O 15 31 ? 17.845 -23.190 -82.612 1.00 45.64 ? 31 ASN U CA 1 +ATOM 21742 C C . ASN O 15 31 ? 17.814 -24.119 -83.829 1.00 51.79 ? 31 ASN U C 1 +ATOM 21743 O O . ASN O 15 31 ? 16.751 -24.450 -84.367 1.00 49.71 ? 31 ASN U O 1 +ATOM 21744 C CB . ASN O 15 31 ? 17.687 -23.970 -81.292 1.00 50.31 ? 31 ASN U CB 1 +ATOM 21745 C CG . ASN O 15 31 ? 18.571 -25.199 -81.212 1.00 48.01 ? 31 ASN U CG 1 +ATOM 21746 O OD1 . ASN O 15 31 ? 18.167 -26.268 -81.643 1.00 53.44 ? 31 ASN U OD1 1 +ATOM 21747 N ND2 . ASN O 15 31 ? 19.784 -25.051 -80.667 1.00 43.41 ? 31 ASN U ND2 1 +ATOM 21748 N N . ILE O 15 32 ? 19.007 -24.547 -84.261 1.00 50.18 ? 32 ILE U N 1 +ATOM 21749 C CA . ILE O 15 32 ? 19.162 -25.267 -85.527 1.00 51.17 ? 32 ILE U CA 1 +ATOM 21750 C C . ILE O 15 32 ? 18.417 -26.612 -85.579 1.00 66.95 ? 32 ILE U C 1 +ATOM 21751 O O . ILE O 15 32 ? 18.073 -27.087 -86.676 1.00 54.71 ? 32 ILE U O 1 +ATOM 21752 C CB . ILE O 15 32 ? 20.672 -25.462 -85.822 1.00 61.72 ? 32 ILE U CB 1 +ATOM 21753 C CG1 . ILE O 15 32 ? 20.912 -25.860 -87.285 1.00 47.68 ? 32 ILE U CG1 1 +ATOM 21754 C CG2 . ILE O 15 32 ? 21.303 -26.490 -84.856 1.00 50.13 ? 32 ILE U CG2 1 +ATOM 21755 C CD1 . ILE O 15 32 ? 22.371 -25.856 -87.649 1.00 51.51 ? 32 ILE U CD1 1 +ATOM 21756 N N . ALA O 15 33 ? 18.137 -27.233 -84.432 1.00 53.45 ? 33 ALA U N 1 +ATOM 21757 C CA . ALA O 15 33 ? 17.433 -28.509 -84.476 1.00 56.95 ? 33 ALA U CA 1 +ATOM 21758 C C . ALA O 15 33 ? 16.001 -28.370 -84.967 1.00 54.22 ? 33 ALA U C 1 +ATOM 21759 O O . ALA O 15 33 ? 15.400 -29.374 -85.345 1.00 60.55 ? 33 ALA U O 1 +ATOM 21760 C CB . ALA O 15 33 ? 17.423 -29.183 -83.108 1.00 46.56 ? 33 ALA U CB 1 +ATOM 21761 N N . ALA O 15 34 ? 15.432 -27.164 -84.956 1.00 54.81 ? 34 ALA U N 1 +ATOM 21762 C CA . ALA O 15 34 ? 14.085 -27.019 -85.481 1.00 55.95 ? 34 ALA U CA 1 +ATOM 21763 C C . ALA O 15 34 ? 14.005 -27.308 -86.982 1.00 62.59 ? 34 ALA U C 1 +ATOM 21764 O O . ALA O 15 34 ? 12.916 -27.608 -87.479 1.00 52.61 ? 34 ALA U O 1 +ATOM 21765 C CB . ALA O 15 34 ? 13.560 -25.616 -85.204 1.00 53.25 ? 34 ALA U CB 1 +ATOM 21766 N N . PHE O 15 35 ? 15.122 -27.247 -87.718 1.00 48.87 ? 35 PHE U N 1 +ATOM 21767 C CA . PHE O 15 35 ? 15.028 -27.447 -89.166 1.00 52.27 ? 35 PHE U CA 1 +ATOM 21768 C C . PHE O 15 35 ? 14.760 -28.892 -89.548 1.00 62.94 ? 35 PHE U C 1 +ATOM 21769 O O . PHE O 15 35 ? 14.534 -29.169 -90.736 1.00 57.25 ? 35 PHE U O 1 +ATOM 21770 C CB . PHE O 15 35 ? 16.297 -26.944 -89.862 1.00 47.66 ? 35 PHE U CB 1 +ATOM 21771 C CG . PHE O 15 35 ? 16.428 -25.436 -89.838 1.00 58.88 ? 35 PHE U CG 1 +ATOM 21772 C CD1 . PHE O 15 35 ? 17.002 -24.790 -88.747 1.00 56.49 ? 35 PHE U CD1 1 +ATOM 21773 C CD2 . PHE O 15 35 ? 15.938 -24.666 -90.885 1.00 51.57 ? 35 PHE U CD2 1 +ATOM 21774 C CE1 . PHE O 15 35 ? 17.105 -23.406 -88.708 1.00 55.44 ? 35 PHE U CE1 1 +ATOM 21775 C CE2 . PHE O 15 35 ? 16.047 -23.276 -90.855 1.00 54.11 ? 35 PHE U CE2 1 +ATOM 21776 C CZ . PHE O 15 35 ? 16.628 -22.648 -89.765 1.00 54.57 ? 35 PHE U CZ 1 +ATOM 21777 N N . ILE O 15 36 ? 14.766 -29.808 -88.571 1.00 58.12 ? 36 ILE U N 1 +ATOM 21778 C CA . ILE O 15 36 ? 14.485 -31.218 -88.815 1.00 55.66 ? 36 ILE U CA 1 +ATOM 21779 C C . ILE O 15 36 ? 13.010 -31.450 -89.113 1.00 55.26 ? 36 ILE U C 1 +ATOM 21780 O O . ILE O 15 36 ? 12.648 -32.518 -89.627 1.00 62.68 ? 36 ILE U O 1 +ATOM 21781 C CB . ILE O 15 36 ? 15.024 -31.996 -87.584 1.00 62.69 ? 36 ILE U CB 1 +ATOM 21782 C CG1 . ILE O 15 36 ? 16.562 -31.970 -87.579 1.00 55.95 ? 36 ILE U CG1 1 +ATOM 21783 C CG2 . ILE O 15 36 ? 14.491 -33.463 -87.485 1.00 52.98 ? 36 ILE U CG2 1 +ATOM 21784 C CD1 . ILE O 15 36 ? 17.160 -32.352 -86.222 1.00 63.29 ? 36 ILE U CD1 1 +ATOM 21785 N N . GLN O 15 37 ? 12.153 -30.457 -88.838 1.00 55.99 ? 37 GLN U N 1 +ATOM 21786 C CA . GLN O 15 37 ? 10.706 -30.597 -89.003 1.00 61.18 ? 37 GLN U CA 1 +ATOM 21787 C C . GLN O 15 37 ? 10.256 -30.645 -90.458 1.00 56.92 ? 37 GLN U C 1 +ATOM 21788 O O . GLN O 15 37 ? 9.097 -30.980 -90.719 1.00 63.14 ? 37 GLN U O 1 +ATOM 21789 C CB . GLN O 15 37 ? 9.970 -29.434 -88.346 1.00 60.68 ? 37 GLN U CB 1 +ATOM 21790 C CG . GLN O 15 37 ? 10.139 -29.309 -86.877 1.00 81.91 ? 37 GLN U CG 1 +ATOM 21791 C CD . GLN O 15 37 ? 9.438 -28.081 -86.362 1.00 90.11 ? 37 GLN U CD 1 +ATOM 21792 O OE1 . GLN O 15 37 ? 8.295 -28.150 -85.911 1.00 125.88 ? 37 GLN U OE1 1 +ATOM 21793 N NE2 . GLN O 15 37 ? 10.107 -26.935 -86.452 1.00 82.63 ? 37 GLN U NE2 1 +ATOM 21794 N N . TYR O 15 38 ? 11.114 -30.277 -91.399 1.00 56.88 ? 38 TYR U N 1 +ATOM 21795 C CA . TYR O 15 38 ? 10.750 -30.255 -92.808 1.00 57.52 ? 38 TYR U CA 1 +ATOM 21796 C C . TYR O 15 38 ? 11.827 -30.972 -93.604 1.00 66.76 ? 38 TYR U C 1 +ATOM 21797 O O . TYR O 15 38 ? 12.986 -31.052 -93.175 1.00 63.13 ? 38 TYR U O 1 +ATOM 21798 C CB . TYR O 15 38 ? 10.552 -28.810 -93.303 1.00 59.82 ? 38 TYR U CB 1 +ATOM 21799 C CG . TYR O 15 38 ? 9.489 -28.110 -92.497 1.00 67.53 ? 38 TYR U CG 1 +ATOM 21800 C CD1 . TYR O 15 38 ? 8.160 -28.523 -92.580 1.00 59.18 ? 38 TYR U CD1 1 +ATOM 21801 C CD2 . TYR O 15 38 ? 9.814 -27.083 -91.606 1.00 58.82 ? 38 TYR U CD2 1 +ATOM 21802 C CE1 . TYR O 15 38 ? 7.183 -27.925 -91.834 1.00 64.19 ? 38 TYR U CE1 1 +ATOM 21803 C CE2 . TYR O 15 38 ? 8.840 -26.474 -90.851 1.00 55.68 ? 38 TYR U CE2 1 +ATOM 21804 C CZ . TYR O 15 38 ? 7.523 -26.898 -90.970 1.00 68.70 ? 38 TYR U CZ 1 +ATOM 21805 O OH . TYR O 15 38 ? 6.529 -26.309 -90.220 1.00 72.01 ? 38 TYR U OH 1 +ATOM 21806 N N . ARG O 15 39 ? 11.430 -31.514 -94.752 1.00 55.41 ? 39 ARG U N 1 +ATOM 21807 C CA . ARG O 15 39 ? 12.347 -32.314 -95.549 1.00 57.22 ? 39 ARG U CA 1 +ATOM 21808 C C . ARG O 15 39 ? 13.445 -31.453 -96.169 1.00 53.10 ? 39 ARG U C 1 +ATOM 21809 O O . ARG O 15 39 ? 13.200 -30.334 -96.634 1.00 61.60 ? 39 ARG U O 1 +ATOM 21810 C CB . ARG O 15 39 ? 11.573 -33.052 -96.643 1.00 65.41 ? 39 ARG U CB 1 +ATOM 21811 C CG . ARG O 15 39 ? 12.389 -34.095 -97.380 1.00 79.19 ? 39 ARG U CG 1 +ATOM 21812 C CD . ARG O 15 39 ? 11.610 -34.717 -98.538 1.00 79.46 ? 39 ARG U CD 1 +ATOM 21813 N NE . ARG O 15 39 ? 10.285 -35.155 -98.115 1.00 77.54 ? 39 ARG U NE 1 +ATOM 21814 C CZ . ARG O 15 39 ? 10.025 -36.301 -97.496 1.00 80.97 ? 39 ARG U CZ 1 +ATOM 21815 N NH1 . ARG O 15 39 ? 10.984 -37.184 -97.229 1.00 68.08 ? 39 ARG U NH1 1 +ATOM 21816 N NH2 . ARG O 15 39 ? 8.773 -36.566 -97.127 1.00 76.13 ? 39 ARG U NH2 1 +ATOM 21817 N N . GLY O 15 40 ? 14.668 -31.980 -96.161 1.00 57.43 ? 40 GLY U N 1 +ATOM 21818 C CA . GLY O 15 40 ? 15.760 -31.442 -96.948 1.00 53.48 ? 40 GLY U CA 1 +ATOM 21819 C C . GLY O 15 40 ? 16.555 -30.313 -96.326 1.00 57.92 ? 40 GLY U C 1 +ATOM 21820 O O . GLY O 15 40 ? 17.554 -29.882 -96.922 1.00 60.31 ? 40 GLY U O 1 +ATOM 21821 N N . LEU O 15 41 ? 16.169 -29.841 -95.142 1.00 52.84 ? 41 LEU U N 1 +ATOM 21822 C CA . LEU O 15 41 ? 16.780 -28.653 -94.556 1.00 51.69 ? 41 LEU U CA 1 +ATOM 21823 C C . LEU O 15 41 ? 17.957 -28.960 -93.641 1.00 60.22 ? 41 LEU U C 1 +ATOM 21824 O O . LEU O 15 41 ? 18.835 -28.109 -93.483 1.00 62.40 ? 41 LEU U O 1 +ATOM 21825 C CB . LEU O 15 41 ? 15.732 -27.862 -93.775 1.00 48.17 ? 41 LEU U CB 1 +ATOM 21826 C CG . LEU O 15 41 ? 14.562 -27.313 -94.610 1.00 67.02 ? 41 LEU U CG 1 +ATOM 21827 C CD1 . LEU O 15 41 ? 13.509 -26.622 -93.716 1.00 63.93 ? 41 LEU U CD1 1 +ATOM 21828 C CD2 . LEU O 15 41 ? 15.072 -26.355 -95.676 1.00 64.05 ? 41 LEU U CD2 1 +ATOM 21829 N N . TYR O 15 42 ? 18.020 -30.163 -93.050 1.00 56.93 ? 42 TYR U N 1 +ATOM 21830 C CA . TYR O 15 42 ? 19.017 -30.445 -92.039 1.00 51.80 ? 42 TYR U CA 1 +ATOM 21831 C C . TYR O 15 42 ? 19.899 -31.611 -92.467 1.00 52.04 ? 42 TYR U C 1 +ATOM 21832 O O . TYR O 15 42 ? 19.391 -32.636 -92.933 1.00 54.94 ? 42 TYR U O 1 +ATOM 21833 C CB . TYR O 15 42 ? 18.313 -30.766 -90.710 1.00 50.87 ? 42 TYR U CB 1 +ATOM 21834 C CG . TYR O 15 42 ? 19.210 -31.045 -89.521 1.00 54.97 ? 42 TYR U CG 1 +ATOM 21835 C CD1 . TYR O 15 42 ? 19.793 -32.299 -89.345 1.00 50.16 ? 42 TYR U CD1 1 +ATOM 21836 C CD2 . TYR O 15 42 ? 19.437 -30.061 -88.542 1.00 53.85 ? 42 TYR U CD2 1 +ATOM 21837 C CE1 . TYR O 15 42 ? 20.593 -32.571 -88.253 1.00 54.04 ? 42 TYR U CE1 1 +ATOM 21838 C CE2 . TYR O 15 42 ? 20.231 -30.326 -87.426 1.00 54.79 ? 42 TYR U CE2 1 +ATOM 21839 C CZ . TYR O 15 42 ? 20.795 -31.593 -87.282 1.00 59.48 ? 42 TYR U CZ 1 +ATOM 21840 O OH . TYR O 15 42 ? 21.592 -31.891 -86.200 1.00 55.11 ? 42 TYR U OH 1 +ATOM 21841 N N . PRO O 15 43 ? 21.225 -31.502 -92.304 1.00 54.89 ? 43 PRO U N 1 +ATOM 21842 C CA . PRO O 15 43 ? 21.905 -30.381 -91.641 1.00 56.97 ? 43 PRO U CA 1 +ATOM 21843 C C . PRO O 15 43 ? 22.478 -29.290 -92.552 1.00 59.04 ? 43 PRO U C 1 +ATOM 21844 O O . PRO O 15 43 ? 22.918 -28.252 -92.038 1.00 57.59 ? 43 PRO U O 1 +ATOM 21845 C CB . PRO O 15 43 ? 23.062 -31.080 -90.933 1.00 49.57 ? 43 PRO U CB 1 +ATOM 21846 C CG . PRO O 15 43 ? 23.458 -32.177 -91.947 1.00 46.92 ? 43 PRO U CG 1 +ATOM 21847 C CD . PRO O 15 43 ? 22.146 -32.621 -92.587 1.00 44.28 ? 43 PRO U CD 1 +ATOM 21848 N N . THR O 15 44 ? 22.516 -29.530 -93.858 1.00 54.06 ? 44 THR U N 1 +ATOM 21849 C CA . THR O 15 44 ? 23.356 -28.721 -94.742 1.00 57.15 ? 44 THR U CA 1 +ATOM 21850 C C . THR O 15 44 ? 22.799 -27.308 -94.899 1.00 62.22 ? 44 THR U C 1 +ATOM 21851 O O . THR O 15 44 ? 23.494 -26.309 -94.648 1.00 55.14 ? 44 THR U O 1 +ATOM 21852 C CB . THR O 15 44 ? 23.487 -29.411 -96.115 1.00 66.07 ? 44 THR U CB 1 +ATOM 21853 O OG1 . THR O 15 44 ? 23.844 -30.792 -95.935 1.00 57.48 ? 44 THR U OG1 1 +ATOM 21854 C CG2 . THR O 15 44 ? 24.548 -28.721 -96.994 1.00 57.16 ? 44 THR U CG2 1 +ATOM 21855 N N . LEU O 15 45 ? 21.543 -27.203 -95.332 1.00 54.12 ? 45 LEU U N 1 +ATOM 21856 C CA . LEU O 15 45 ? 20.919 -25.891 -95.441 1.00 55.90 ? 45 LEU U CA 1 +ATOM 21857 C C . LEU O 15 45 ? 20.830 -25.210 -94.088 1.00 57.88 ? 45 LEU U C 1 +ATOM 21858 O O . LEU O 15 45 ? 21.135 -24.018 -93.968 1.00 65.16 ? 45 LEU U O 1 +ATOM 21859 C CB . LEU O 15 45 ? 19.540 -26.023 -96.091 1.00 57.36 ? 45 LEU U CB 1 +ATOM 21860 C CG . LEU O 15 45 ? 19.685 -26.104 -97.624 1.00 62.25 ? 45 LEU U CG 1 +ATOM 21861 C CD1 . LEU O 15 45 ? 18.349 -26.371 -98.318 1.00 60.80 ? 45 LEU U CD1 1 +ATOM 21862 C CD2 . LEU O 15 45 ? 20.315 -24.816 -98.147 1.00 62.96 ? 45 LEU U CD2 1 +ATOM 21863 N N . ALA O 15 46 ? 20.415 -25.954 -93.053 1.00 55.56 ? 46 ALA U N 1 +ATOM 21864 C CA . ALA O 15 46 ? 20.256 -25.385 -91.714 1.00 53.68 ? 46 ALA U CA 1 +ATOM 21865 C C . ALA O 15 46 ? 21.536 -24.702 -91.249 1.00 50.21 ? 46 ALA U C 1 +ATOM 21866 O O . ALA O 15 46 ? 21.506 -23.590 -90.705 1.00 55.95 ? 46 ALA U O 1 +ATOM 21867 C CB . ALA O 15 46 ? 19.851 -26.492 -90.728 1.00 51.81 ? 46 ALA U CB 1 +ATOM 21868 N N . LYS O 15 47 ? 22.671 -25.378 -91.436 1.00 54.65 ? 47 LYS U N 1 +ATOM 21869 C CA . LYS O 15 47 ? 23.962 -24.782 -91.137 1.00 53.07 ? 47 LYS U CA 1 +ATOM 21870 C C . LYS O 15 47 ? 24.156 -23.479 -91.904 1.00 71.66 ? 47 LYS U C 1 +ATOM 21871 O O . LYS O 15 47 ? 24.518 -22.451 -91.316 1.00 66.15 ? 47 LYS U O 1 +ATOM 21872 C CB . LYS O 15 47 ? 25.063 -25.771 -91.474 1.00 53.81 ? 47 LYS U CB 1 +ATOM 21873 C CG . LYS O 15 47 ? 26.440 -25.177 -91.405 1.00 65.48 ? 47 LYS U CG 1 +ATOM 21874 C CD . LYS O 15 47 ? 27.470 -26.229 -91.701 1.00 66.43 ? 47 LYS U CD 1 +ATOM 21875 C CE . LYS O 15 47 ? 28.862 -25.708 -91.441 1.00 75.65 ? 47 LYS U CE 1 +ATOM 21876 N NZ . LYS O 15 47 ? 29.849 -26.738 -91.884 1.00 84.45 ? 47 LYS U NZ 1 +ATOM 21877 N N . LEU O 15 48 ? 23.899 -23.500 -93.222 1.00 58.45 ? 48 LEU U N 1 +ATOM 21878 C CA . LEU O 15 48 ? 24.071 -22.305 -94.048 1.00 58.55 ? 48 LEU U CA 1 +ATOM 21879 C C . LEU O 15 48 ? 23.163 -21.175 -93.583 1.00 55.36 ? 48 LEU U C 1 +ATOM 21880 O O . LEU O 15 48 ? 23.585 -20.015 -93.512 1.00 60.59 ? 48 LEU U O 1 +ATOM 21881 C CB . LEU O 15 48 ? 23.796 -22.633 -95.517 1.00 52.68 ? 48 LEU U CB 1 +ATOM 21882 C CG . LEU O 15 48 ? 24.833 -23.520 -96.199 1.00 69.08 ? 48 LEU U CG 1 +ATOM 21883 C CD1 . LEU O 15 48 ? 24.452 -23.774 -97.664 1.00 63.72 ? 48 LEU U CD1 1 +ATOM 21884 C CD2 . LEU O 15 48 ? 26.230 -22.930 -96.107 1.00 62.01 ? 48 LEU U CD2 1 +ATOM 21885 N N . ILE O 15 49 ? 21.916 -21.496 -93.242 1.00 58.16 ? 49 ILE U N 1 +ATOM 21886 C CA . ILE O 15 49 ? 20.978 -20.464 -92.809 1.00 54.41 ? 49 ILE U CA 1 +ATOM 21887 C C . ILE O 15 49 ? 21.433 -19.839 -91.495 1.00 61.97 ? 49 ILE U C 1 +ATOM 21888 O O . ILE O 15 49 ? 21.385 -18.614 -91.325 1.00 57.31 ? 49 ILE U O 1 +ATOM 21889 C CB . ILE O 15 49 ? 19.564 -21.063 -92.700 1.00 61.85 ? 49 ILE U CB 1 +ATOM 21890 C CG1 . ILE O 15 49 ? 19.056 -21.472 -94.088 1.00 50.50 ? 49 ILE U CG1 1 +ATOM 21891 C CG2 . ILE O 15 49 ? 18.611 -20.118 -91.934 1.00 54.17 ? 49 ILE U CG2 1 +ATOM 21892 C CD1 . ILE O 15 49 ? 17.898 -22.470 -94.062 1.00 63.15 ? 49 ILE U CD1 1 +ATOM 21893 N N . VAL O 15 50 ? 21.897 -20.659 -90.548 1.00 60.99 ? 50 VAL U N 1 +ATOM 21894 C CA . VAL O 15 50 ? 22.271 -20.121 -89.241 1.00 54.41 ? 50 VAL U CA 1 +ATOM 21895 C C . VAL O 15 50 ? 23.548 -19.293 -89.352 1.00 65.44 ? 50 VAL U C 1 +ATOM 21896 O O . VAL O 15 50 ? 23.663 -18.214 -88.749 1.00 60.46 ? 50 VAL U O 1 +ATOM 21897 C CB . VAL O 15 50 ? 22.403 -21.260 -88.209 1.00 55.94 ? 50 VAL U CB 1 +ATOM 21898 C CG1 . VAL O 15 50 ? 23.112 -20.775 -86.912 1.00 49.53 ? 50 VAL U CG1 1 +ATOM 21899 C CG2 . VAL O 15 50 ? 21.024 -21.833 -87.891 1.00 53.71 ? 50 VAL U CG2 1 +ATOM 21900 N N . LYS O 15 51 ? 24.512 -19.774 -90.138 1.00 57.02 ? 51 LYS U N 1 +ATOM 21901 C CA . LYS O 15 51 ? 25.779 -19.077 -90.323 1.00 64.05 ? 51 LYS U CA 1 +ATOM 21902 C C . LYS O 15 51 ? 25.603 -17.721 -91.007 1.00 61.35 ? 51 LYS U C 1 +ATOM 21903 O O . LYS O 15 51 ? 26.446 -16.836 -90.842 1.00 64.33 ? 51 LYS U O 1 +ATOM 21904 C CB . LYS O 15 51 ? 26.721 -19.951 -91.163 1.00 71.25 ? 51 LYS U CB 1 +ATOM 21905 C CG . LYS O 15 51 ? 28.184 -19.923 -90.752 1.00 86.35 ? 51 LYS U CG 1 +ATOM 21906 C CD . LYS O 15 51 ? 28.385 -20.618 -89.406 1.00 92.71 ? 51 LYS U CD 1 +ATOM 21907 C CE . LYS O 15 51 ? 29.861 -20.738 -89.049 1.00 96.53 ? 51 LYS U CE 1 +ATOM 21908 N NZ . LYS O 15 51 ? 30.092 -20.734 -87.577 1.00 87.13 ? 51 LYS U NZ 1 +ATOM 21909 N N . ASN O 15 52 ? 24.560 -17.542 -91.811 1.00 63.40 ? 52 ASN U N 1 +ATOM 21910 C CA . ASN O 15 52 ? 24.418 -16.307 -92.577 1.00 65.25 ? 52 ASN U CA 1 +ATOM 21911 C C . ASN O 15 52 ? 23.334 -15.395 -92.026 1.00 62.45 ? 52 ASN U C 1 +ATOM 21912 O O . ASN O 15 52 ? 23.040 -14.365 -92.632 1.00 65.10 ? 52 ASN U O 1 +ATOM 21913 C CB . ASN O 15 52 ? 24.156 -16.620 -94.054 1.00 57.90 ? 52 ASN U CB 1 +ATOM 21914 C CG . ASN O 15 52 ? 25.387 -17.194 -94.755 1.00 69.94 ? 52 ASN U CG 1 +ATOM 21915 O OD1 . ASN O 15 52 ? 26.322 -16.464 -95.078 1.00 68.18 ? 52 ASN U OD1 1 +ATOM 21916 N ND2 . ASN O 15 52 ? 25.385 -18.502 -94.999 1.00 63.02 ? 52 ASN U ND2 1 +ATOM 21917 N N . ALA O 15 53 ? 22.757 -15.734 -90.875 1.00 65.76 ? 53 ALA U N 1 +ATOM 21918 C CA . ALA O 15 53 ? 21.822 -14.855 -90.197 1.00 63.84 ? 53 ALA U CA 1 +ATOM 21919 C C . ALA O 15 53 ? 22.558 -13.618 -89.679 1.00 58.87 ? 53 ALA U C 1 +ATOM 21920 O O . ALA O 15 53 ? 23.774 -13.649 -89.489 1.00 66.59 ? 53 ALA U O 1 +ATOM 21921 C CB . ALA O 15 53 ? 21.142 -15.605 -89.053 1.00 58.50 ? 53 ALA U CB 1 +ATOM 21922 N N . PRO O 15 54 ? 21.841 -12.510 -89.433 1.00 60.37 ? 54 PRO U N 1 +ATOM 21923 C CA . PRO O 15 54 ? 20.385 -12.386 -89.546 1.00 64.96 ? 54 PRO U CA 1 +ATOM 21924 C C . PRO O 15 54 ? 19.931 -11.884 -90.908 1.00 71.71 ? 54 PRO U C 1 +ATOM 21925 O O . PRO O 15 54 ? 20.747 -11.474 -91.728 1.00 63.05 ? 54 PRO U O 1 +ATOM 21926 C CB . PRO O 15 54 ? 20.039 -11.385 -88.442 1.00 60.63 ? 54 PRO U CB 1 +ATOM 21927 C CG . PRO O 15 54 ? 21.220 -10.491 -88.399 1.00 56.38 ? 54 PRO U CG 1 +ATOM 21928 C CD . PRO O 15 54 ? 22.432 -11.331 -88.777 1.00 64.82 ? 54 PRO U CD 1 +ATOM 21929 N N . TYR O 15 55 ? 18.614 -11.923 -91.110 1.00 57.18 ? 55 TYR U N 1 +ATOM 21930 C CA . TYR O 15 55 ? 17.960 -11.637 -92.369 1.00 53.35 ? 55 TYR U CA 1 +ATOM 21931 C C . TYR O 15 55 ? 16.900 -10.580 -92.113 1.00 67.66 ? 55 TYR U C 1 +ATOM 21932 O O . TYR O 15 55 ? 16.215 -10.620 -91.084 1.00 61.09 ? 55 TYR U O 1 +ATOM 21933 C CB . TYR O 15 55 ? 17.309 -12.916 -92.970 1.00 56.29 ? 55 TYR U CB 1 +ATOM 21934 C CG . TYR O 15 55 ? 18.282 -14.074 -93.117 1.00 71.59 ? 55 TYR U CG 1 +ATOM 21935 C CD1 . TYR O 15 55 ? 19.143 -14.147 -94.213 1.00 62.06 ? 55 TYR U CD1 1 +ATOM 21936 C CD2 . TYR O 15 55 ? 18.353 -15.085 -92.157 1.00 62.42 ? 55 TYR U CD2 1 +ATOM 21937 C CE1 . TYR O 15 55 ? 20.046 -15.170 -94.343 1.00 62.01 ? 55 TYR U CE1 1 +ATOM 21938 C CE2 . TYR O 15 55 ? 19.249 -16.139 -92.295 1.00 57.20 ? 55 TYR U CE2 1 +ATOM 21939 C CZ . TYR O 15 55 ? 20.094 -16.168 -93.390 1.00 63.67 ? 55 TYR U CZ 1 +ATOM 21940 O OH . TYR O 15 55 ? 20.999 -17.188 -93.543 1.00 60.37 ? 55 TYR U OH 1 +ATOM 21941 N N . GLU O 15 56 ? 16.769 -9.631 -93.047 1.00 63.56 ? 56 GLU U N 1 +ATOM 21942 C CA . GLU O 15 56 ? 15.726 -8.622 -92.922 1.00 68.04 ? 56 GLU U CA 1 +ATOM 21943 C C . GLU O 15 56 ? 14.367 -9.159 -93.339 1.00 68.69 ? 56 GLU U C 1 +ATOM 21944 O O . GLU O 15 56 ? 13.341 -8.712 -92.817 1.00 65.73 ? 56 GLU U O 1 +ATOM 21945 C CB . GLU O 15 56 ? 16.073 -7.389 -93.753 1.00 66.10 ? 56 GLU U CB 1 +ATOM 21946 C CG . GLU O 15 56 ? 17.236 -6.597 -93.185 1.00 96.83 ? 56 GLU U CG 1 +ATOM 21947 C CD . GLU O 15 56 ? 17.554 -5.359 -93.999 1.00 125.00 ? 56 GLU U CD 1 +ATOM 21948 O OE1 . GLU O 15 56 ? 16.875 -5.116 -95.024 1.00 142.09 ? 56 GLU U OE1 1 +ATOM 21949 O OE2 . GLU O 15 56 ? 18.489 -4.629 -93.611 1.00 149.82 ? 56 GLU U OE2 1 +ATOM 21950 N N . SER O 15 57 ? 14.330 -10.091 -94.285 1.00 61.27 ? 57 SER U N 1 +ATOM 21951 C CA . SER O 15 57 ? 13.072 -10.724 -94.642 1.00 62.57 ? 57 SER U CA 1 +ATOM 21952 C C . SER O 15 57 ? 13.345 -12.174 -94.977 1.00 60.61 ? 57 SER U C 1 +ATOM 21953 O O . SER O 15 57 ? 14.493 -12.581 -95.186 1.00 64.84 ? 57 SER U O 1 +ATOM 21954 C CB . SER O 15 57 ? 12.407 -10.035 -95.825 1.00 75.77 ? 57 SER U CB 1 +ATOM 21955 O OG . SER O 15 57 ? 13.236 -10.177 -96.956 1.00 78.76 ? 57 SER U OG 1 +ATOM 21956 N N . VAL O 15 58 ? 12.258 -12.949 -95.039 1.00 56.05 ? 58 VAL U N 1 +ATOM 21957 C CA . VAL O 15 58 ? 12.365 -14.388 -95.265 1.00 62.00 ? 58 VAL U CA 1 +ATOM 21958 C C . VAL O 15 58 ? 13.072 -14.676 -96.581 1.00 76.29 ? 58 VAL U C 1 +ATOM 21959 O O . VAL O 15 58 ? 13.938 -15.559 -96.660 1.00 70.11 ? 58 VAL U O 1 +ATOM 21960 C CB . VAL O 15 58 ? 10.967 -15.029 -95.219 1.00 76.79 ? 58 VAL U CB 1 +ATOM 21961 C CG1 . VAL O 15 58 ? 11.017 -16.432 -95.775 1.00 82.94 ? 58 VAL U CG1 1 +ATOM 21962 C CG2 . VAL O 15 58 ? 10.445 -15.050 -93.792 1.00 69.11 ? 58 VAL U CG2 1 +ATOM 21963 N N . GLU O 15 59 ? 12.744 -13.913 -97.628 1.00 75.09 ? 59 GLU U N 1 +ATOM 21964 C CA . GLU O 15 59 ? 13.273 -14.215 -98.954 1.00 75.85 ? 59 GLU U CA 1 +ATOM 21965 C C . GLU O 15 59 ? 14.771 -13.979 -99.052 1.00 62.05 ? 59 GLU U C 1 +ATOM 21966 O O . GLU O 15 59 ? 15.406 -14.519 -99.962 1.00 67.03 ? 59 GLU U O 1 +ATOM 21967 C CB . GLU O 15 59 ? 12.553 -13.389 -100.018 1.00 72.23 ? 59 GLU U CB 1 +ATOM 21968 C CG . GLU O 15 59 ? 11.052 -13.585 -100.046 1.00 89.66 ? 59 GLU U CG 1 +ATOM 21969 C CD . GLU O 15 59 ? 10.316 -12.640 -99.100 1.00 122.13 ? 59 GLU U CD 1 +ATOM 21970 O OE1 . GLU O 15 59 ? 10.946 -12.127 -98.143 1.00 106.02 ? 59 GLU U OE1 1 +ATOM 21971 O OE2 . GLU O 15 59 ? 9.105 -12.404 -99.321 1.00 154.02 ? 59 GLU U OE2 1 +ATOM 21972 N N . ASP O 15 60 ? 15.359 -13.201 -98.143 1.00 61.08 ? 60 ASP U N 1 +ATOM 21973 C CA . ASP O 15 60 ? 16.800 -12.995 -98.218 1.00 62.41 ? 60 ASP U CA 1 +ATOM 21974 C C . ASP O 15 60 ? 17.565 -14.293 -98.090 1.00 62.91 ? 60 ASP U C 1 +ATOM 21975 O O . ASP O 15 60 ? 18.748 -14.343 -98.447 1.00 72.79 ? 60 ASP U O 1 +ATOM 21976 C CB . ASP O 15 60 ? 17.275 -12.033 -97.133 1.00 69.50 ? 60 ASP U CB 1 +ATOM 21977 C CG . ASP O 15 60 ? 16.740 -10.637 -97.324 1.00 76.44 ? 60 ASP U CG 1 +ATOM 21978 O OD1 . ASP O 15 60 ? 16.694 -10.183 -98.487 1.00 92.43 ? 60 ASP U OD1 1 +ATOM 21979 O OD2 . ASP O 15 60 ? 16.351 -10.011 -96.306 1.00 91.06 ? 60 ASP U OD2 1 +ATOM 21980 N N . VAL O 15 61 ? 16.929 -15.339 -97.561 1.00 67.14 ? 61 VAL U N 1 +ATOM 21981 C CA . VAL O 15 61 ? 17.634 -16.601 -97.397 1.00 70.96 ? 61 VAL U CA 1 +ATOM 21982 C C . VAL O 15 61 ? 18.043 -17.161 -98.748 1.00 63.16 ? 61 VAL U C 1 +ATOM 21983 O O . VAL O 15 61 ? 19.066 -17.847 -98.844 1.00 71.65 ? 61 VAL U O 1 +ATOM 21984 C CB . VAL O 15 61 ? 16.772 -17.589 -96.569 1.00 63.03 ? 61 VAL U CB 1 +ATOM 21985 C CG1 . VAL O 15 61 ? 15.646 -18.189 -97.407 1.00 59.24 ? 61 VAL U CG1 1 +ATOM 21986 C CG2 . VAL O 15 61 ? 17.652 -18.650 -95.958 1.00 66.69 ? 61 VAL U CG2 1 +ATOM 21987 N N . LEU O 15 62 ? 17.319 -16.803 -99.818 1.00 72.53 ? 62 LEU U N 1 +ATOM 21988 C CA . LEU O 15 62 ? 17.665 -17.233 -101.173 1.00 79.77 ? 62 LEU U CA 1 +ATOM 21989 C C . LEU O 15 62 ? 18.931 -16.583 -101.714 1.00 77.80 ? 62 LEU U C 1 +ATOM 21990 O O . LEU O 15 62 ? 19.462 -17.071 -102.714 1.00 82.05 ? 62 LEU U O 1 +ATOM 21991 C CB . LEU O 15 62 ? 16.498 -16.967 -102.124 1.00 63.41 ? 62 LEU U CB 1 +ATOM 21992 C CG . LEU O 15 62 ? 15.307 -17.877 -101.804 1.00 82.93 ? 62 LEU U CG 1 +ATOM 21993 C CD1 . LEU O 15 62 ? 14.032 -17.498 -102.552 1.00 73.97 ? 62 LEU U CD1 1 +ATOM 21994 C CD2 . LEU O 15 62 ? 15.689 -19.313 -102.090 1.00 67.91 ? 62 LEU U CD2 1 +ATOM 21995 N N . ASN O 15 63 ? 19.442 -15.524 -101.089 1.00 74.87 ? 63 ASN U N 1 +ATOM 21996 C CA . ASN O 15 63 ? 20.664 -14.881 -101.562 1.00 74.01 ? 63 ASN U CA 1 +ATOM 21997 C C . ASN O 15 63 ? 21.925 -15.429 -100.903 1.00 87.51 ? 63 ASN U C 1 +ATOM 21998 O O . ASN O 15 63 ? 22.996 -14.832 -101.059 1.00 84.73 ? 63 ASN U O 1 +ATOM 21999 C CB . ASN O 15 63 ? 20.605 -13.366 -101.337 1.00 84.37 ? 63 ASN U CB 1 +ATOM 22000 C CG . ASN O 15 63 ? 19.367 -12.721 -101.950 1.00 94.38 ? 63 ASN U CG 1 +ATOM 22001 O OD1 . ASN O 15 63 ? 18.952 -13.061 -103.057 1.00 80.78 ? 63 ASN U OD1 1 +ATOM 22002 N ND2 . ASN O 15 63 ? 18.768 -11.781 -101.217 1.00 88.02 ? 63 ASN U ND2 1 +ATOM 22003 N N . ILE O 15 64 ? 21.826 -16.521 -100.153 1.00 70.26 ? 64 ILE U N 1 +ATOM 22004 C CA . ILE O 15 64 ? 23.039 -17.063 -99.534 1.00 79.28 ? 64 ILE U CA 1 +ATOM 22005 C C . ILE O 15 64 ? 24.012 -17.471 -100.633 1.00 81.10 ? 64 ILE U C 1 +ATOM 22006 O O . ILE O 15 64 ? 23.634 -18.224 -101.556 1.00 82.23 ? 64 ILE U O 1 +ATOM 22007 C CB . ILE O 15 64 ? 22.711 -18.256 -98.618 1.00 81.08 ? 64 ILE U CB 1 +ATOM 22008 C CG1 . ILE O 15 64 ? 21.932 -17.807 -97.374 1.00 65.71 ? 64 ILE U CG1 1 +ATOM 22009 C CG2 . ILE O 15 64 ? 23.984 -18.986 -98.226 1.00 58.73 ? 64 ILE U CG2 1 +ATOM 22010 C CD1 . ILE O 15 64 ? 21.477 -18.994 -96.517 1.00 58.60 ? 64 ILE U CD1 1 +ATOM 22011 N N . PRO O 15 65 ? 25.257 -17.006 -100.597 1.00 81.12 ? 65 PRO U N 1 +ATOM 22012 C CA . PRO O 15 65 ? 26.210 -17.360 -101.653 1.00 84.55 ? 65 PRO U CA 1 +ATOM 22013 C C . PRO O 15 65 ? 26.469 -18.858 -101.703 1.00 87.16 ? 65 PRO U C 1 +ATOM 22014 O O . PRO O 15 65 ? 26.498 -19.542 -100.677 1.00 95.07 ? 65 PRO U O 1 +ATOM 22015 C CB . PRO O 15 65 ? 27.481 -16.599 -101.258 1.00 85.40 ? 65 PRO U CB 1 +ATOM 22016 C CG . PRO O 15 65 ? 27.064 -15.626 -100.221 1.00 81.50 ? 65 PRO U CG 1 +ATOM 22017 C CD . PRO O 15 65 ? 25.865 -16.181 -99.546 1.00 80.47 ? 65 PRO U CD 1 +ATOM 22018 N N . GLY O 15 66 ? 26.677 -19.359 -102.920 1.00 88.71 ? 66 GLY U N 1 +ATOM 22019 C CA . GLY O 15 66 ? 27.122 -20.717 -103.139 1.00 75.58 ? 66 GLY U CA 1 +ATOM 22020 C C . GLY O 15 66 ? 26.027 -21.751 -103.259 1.00 78.14 ? 66 GLY U C 1 +ATOM 22021 O O . GLY O 15 66 ? 26.340 -22.919 -103.506 1.00 84.10 ? 66 GLY U O 1 +ATOM 22022 N N . LEU O 15 67 ? 24.762 -21.364 -103.092 1.00 74.02 ? 67 LEU U N 1 +ATOM 22023 C CA . LEU O 15 67 ? 23.670 -22.331 -103.136 1.00 77.35 ? 67 LEU U CA 1 +ATOM 22024 C C . LEU O 15 67 ? 23.610 -23.030 -104.489 1.00 78.82 ? 67 LEU U C 1 +ATOM 22025 O O . LEU O 15 67 ? 23.747 -22.400 -105.537 1.00 98.38 ? 67 LEU U O 1 +ATOM 22026 C CB . LEU O 15 67 ? 22.330 -21.641 -102.851 1.00 78.04 ? 67 LEU U CB 1 +ATOM 22027 C CG . LEU O 15 67 ? 22.072 -21.136 -101.424 1.00 83.26 ? 67 LEU U CG 1 +ATOM 22028 C CD1 . LEU O 15 67 ? 20.660 -20.596 -101.275 1.00 72.00 ? 67 LEU U CD1 1 +ATOM 22029 C CD2 . LEU O 15 67 ? 22.316 -22.236 -100.429 1.00 71.91 ? 67 LEU U CD2 1 +ATOM 22030 N N . THR O 15 68 ? 23.408 -24.341 -104.467 1.00 79.59 ? 68 THR U N 1 +ATOM 22031 C CA . THR O 15 68 ? 23.047 -25.021 -105.697 1.00 73.25 ? 68 THR U CA 1 +ATOM 22032 C C . THR O 15 68 ? 21.587 -24.728 -106.031 1.00 88.62 ? 68 THR U C 1 +ATOM 22033 O O . THR O 15 68 ? 20.803 -24.267 -105.192 1.00 81.05 ? 68 THR U O 1 +ATOM 22034 C CB . THR O 15 68 ? 23.254 -26.529 -105.582 1.00 72.95 ? 68 THR U CB 1 +ATOM 22035 O OG1 . THR O 15 68 ? 22.162 -27.094 -104.852 1.00 79.28 ? 68 THR U OG1 1 +ATOM 22036 C CG2 . THR O 15 68 ? 24.576 -26.862 -104.878 1.00 65.57 ? 68 THR U CG2 1 +ATOM 22037 N N . GLU O 15 69 ? 21.223 -25.018 -107.283 1.00 80.27 ? 69 GLU U N 1 +ATOM 22038 C CA . GLU O 15 69 ? 19.860 -24.788 -107.751 1.00 80.09 ? 69 GLU U CA 1 +ATOM 22039 C C . GLU O 15 69 ? 18.848 -25.652 -107.013 1.00 82.11 ? 69 GLU U C 1 +ATOM 22040 O O . GLU O 15 69 ? 17.704 -25.225 -106.808 1.00 74.98 ? 69 GLU U O 1 +ATOM 22041 C CB . GLU O 15 69 ? 19.789 -25.056 -109.255 1.00 97.80 ? 69 GLU U CB 1 +ATOM 22042 C CG . GLU O 15 69 ? 20.682 -24.140 -110.072 1.00 98.80 ? 69 GLU U CG 1 +ATOM 22043 C CD . GLU O 15 69 ? 20.306 -22.686 -109.895 1.00 109.37 ? 69 GLU U CD 1 +ATOM 22044 O OE1 . GLU O 15 69 ? 19.093 -22.402 -109.780 1.00 96.06 ? 69 GLU U OE1 1 +ATOM 22045 O OE2 . GLU O 15 69 ? 21.223 -21.837 -109.842 1.00 106.10 ? 69 GLU U OE2 1 +ATOM 22046 N N . ARG O 15 70 ? 19.245 -26.868 -106.619 1.00 73.98 ? 70 ARG U N 1 +ATOM 22047 C CA . ARG O 15 70 ? 18.379 -27.704 -105.795 1.00 79.86 ? 70 ARG U CA 1 +ATOM 22048 C C . ARG O 15 70 ? 18.169 -27.084 -104.417 1.00 83.87 ? 70 ARG U C 1 +ATOM 22049 O O . ARG O 15 70 ? 17.060 -27.125 -103.865 1.00 71.84 ? 70 ARG U O 1 +ATOM 22050 C CB . ARG O 15 70 ? 18.973 -29.107 -105.658 1.00 70.50 ? 70 ARG U CB 1 +ATOM 22051 C CG . ARG O 15 70 ? 18.044 -30.229 -106.105 1.00 98.34 ? 70 ARG U CG 1 +ATOM 22052 C CD . ARG O 15 70 ? 17.399 -30.956 -104.933 1.00 91.24 ? 70 ARG U CD 1 +ATOM 22053 N NE . ARG O 15 70 ? 18.404 -31.414 -103.980 1.00 109.40 ? 70 ARG U NE 1 +ATOM 22054 C CZ . ARG O 15 70 ? 18.225 -32.396 -103.107 1.00 111.67 ? 70 ARG U CZ 1 +ATOM 22055 N NH1 . ARG O 15 70 ? 17.096 -33.089 -103.062 1.00 99.63 ? 70 ARG U NH1 1 +ATOM 22056 N NH2 . ARG O 15 70 ? 19.205 -32.694 -102.257 1.00 130.29 ? 70 ARG U NH2 1 +ATOM 22057 N N . GLN O 15 71 ? 19.223 -26.508 -103.839 1.00 65.42 ? 71 GLN U N 1 +ATOM 22058 C CA . GLN O 15 71 ? 19.063 -25.910 -102.520 1.00 74.09 ? 71 GLN U CA 1 +ATOM 22059 C C . GLN O 15 71 ? 18.091 -24.737 -102.572 1.00 72.77 ? 71 GLN U C 1 +ATOM 22060 O O . GLN O 15 71 ? 17.208 -24.625 -101.714 1.00 76.55 ? 71 GLN U O 1 +ATOM 22061 C CB . GLN O 15 71 ? 20.426 -25.505 -101.958 1.00 63.76 ? 71 GLN U CB 1 +ATOM 22062 C CG . GLN O 15 71 ? 21.354 -26.701 -101.757 1.00 55.51 ? 71 GLN U CG 1 +ATOM 22063 C CD . GLN O 15 71 ? 22.744 -26.299 -101.316 1.00 74.00 ? 71 GLN U CD 1 +ATOM 22064 O OE1 . GLN O 15 71 ? 23.328 -25.357 -101.838 1.00 79.56 ? 71 GLN U OE1 1 +ATOM 22065 N NE2 . GLN O 15 71 ? 23.284 -27.019 -100.347 1.00 73.47 ? 71 GLN U NE2 1 +ATOM 22066 N N . LYS O 15 72 ? 18.191 -23.888 -103.608 1.00 77.78 ? 72 LYS U N 1 +ATOM 22067 C CA . LYS O 15 72 ? 17.245 -22.781 -103.752 1.00 73.78 ? 72 LYS U CA 1 +ATOM 22068 C C . LYS O 15 72 ? 15.819 -23.293 -103.913 1.00 70.03 ? 72 LYS U C 1 +ATOM 22069 O O . LYS O 15 72 ? 14.865 -22.686 -103.408 1.00 68.38 ? 72 LYS U O 1 +ATOM 22070 C CB . LYS O 15 72 ? 17.619 -21.895 -104.948 1.00 79.63 ? 72 LYS U CB 1 +ATOM 22071 C CG . LYS O 15 72 ? 18.854 -21.028 -104.761 1.00 92.72 ? 72 LYS U CG 1 +ATOM 22072 C CD . LYS O 15 72 ? 19.294 -20.400 -106.084 1.00 101.10 ? 72 LYS U CD 1 +ATOM 22073 C CE . LYS O 15 72 ? 20.700 -19.803 -105.993 1.00 121.13 ? 72 LYS U CE 1 +ATOM 22074 N NZ . LYS O 15 72 ? 21.295 -19.541 -107.345 1.00 130.20 ? 72 LYS U NZ 1 +ATOM 22075 N N . GLN O 15 73 ? 15.653 -24.407 -104.621 1.00 65.94 ? 73 GLN U N 1 +ATOM 22076 C CA . GLN O 15 73 ? 14.321 -24.968 -104.801 1.00 73.86 ? 73 GLN U CA 1 +ATOM 22077 C C . GLN O 15 73 ? 13.757 -25.454 -103.475 1.00 80.40 ? 73 GLN U C 1 +ATOM 22078 O O . GLN O 15 73 ? 12.567 -25.259 -103.185 1.00 70.73 ? 73 GLN U O 1 +ATOM 22079 C CB . GLN O 15 73 ? 14.378 -26.110 -105.820 1.00 74.47 ? 73 GLN U CB 1 +ATOM 22080 C CG . GLN O 15 73 ? 13.076 -26.378 -106.562 1.00 97.88 ? 73 GLN U CG 1 +ATOM 22081 C CD . GLN O 15 73 ? 13.236 -27.439 -107.662 1.00 155.61 ? 73 GLN U CD 1 +ATOM 22082 O OE1 . GLN O 15 73 ? 13.204 -28.641 -107.389 1.00 164.05 ? 73 GLN U OE1 1 +ATOM 22083 N NE2 . GLN O 15 73 ? 13.410 -26.992 -108.909 1.00 139.60 ? 73 GLN U NE2 1 +ATOM 22084 N N . ILE O 15 74 ? 14.600 -26.086 -102.653 1.00 68.82 ? 74 ILE U N 1 +ATOM 22085 C CA . ILE O 15 74 ? 14.146 -26.570 -101.353 1.00 65.39 ? 74 ILE U CA 1 +ATOM 22086 C C . ILE O 15 74 ? 13.762 -25.399 -100.465 1.00 61.64 ? 74 ILE U C 1 +ATOM 22087 O O . ILE O 15 74 ? 12.732 -25.433 -99.780 1.00 70.87 ? 74 ILE U O 1 +ATOM 22088 C CB . ILE O 15 74 ? 15.227 -27.460 -100.709 1.00 69.84 ? 74 ILE U CB 1 +ATOM 22089 C CG1 . ILE O 15 74 ? 15.468 -28.702 -101.581 1.00 59.62 ? 74 ILE U CG1 1 +ATOM 22090 C CG2 . ILE O 15 74 ? 14.826 -27.880 -99.297 1.00 67.79 ? 74 ILE U CG2 1 +ATOM 22091 C CD1 . ILE O 15 74 ? 16.588 -29.578 -101.098 1.00 63.57 ? 74 ILE U CD1 1 +ATOM 22092 N N . LEU O 15 75 ? 14.555 -24.324 -100.501 1.00 60.70 ? 75 LEU U N 1 +ATOM 22093 C CA . LEU O 15 75 ? 14.221 -23.131 -99.729 1.00 62.58 ? 75 LEU U CA 1 +ATOM 22094 C C . LEU O 15 75 ? 12.898 -22.520 -100.182 1.00 70.49 ? 75 LEU U C 1 +ATOM 22095 O O . LEU O 15 75 ? 12.062 -22.152 -99.349 1.00 65.66 ? 75 LEU U O 1 +ATOM 22096 C CB . LEU O 15 75 ? 15.357 -22.117 -99.829 1.00 59.22 ? 75 LEU U CB 1 +ATOM 22097 C CG . LEU O 15 75 ? 16.646 -22.525 -99.115 1.00 71.67 ? 75 LEU U CG 1 +ATOM 22098 C CD1 . LEU O 15 75 ? 17.756 -21.519 -99.342 1.00 60.63 ? 75 LEU U CD1 1 +ATOM 22099 C CD2 . LEU O 15 75 ? 16.374 -22.671 -97.618 1.00 64.73 ? 75 LEU U CD2 1 +ATOM 22100 N N . ARG O 15 76 ? 12.682 -22.417 -101.499 1.00 70.57 ? 76 ARG U N 1 +ATOM 22101 C CA . ARG O 15 76 ? 11.455 -21.801 -102.007 1.00 67.01 ? 76 ARG U CA 1 +ATOM 22102 C C . ARG O 15 76 ? 10.215 -22.559 -101.548 1.00 67.35 ? 76 ARG U C 1 +ATOM 22103 O O . ARG O 15 76 ? 9.192 -21.948 -101.209 1.00 77.23 ? 76 ARG U O 1 +ATOM 22104 C CB . ARG O 15 76 ? 11.492 -21.731 -103.536 1.00 73.63 ? 76 ARG U CB 1 +ATOM 22105 C CG . ARG O 15 76 ? 12.002 -20.413 -104.090 1.00 79.62 ? 76 ARG U CG 1 +ATOM 22106 C CD . ARG O 15 76 ? 11.715 -20.291 -105.594 1.00 84.73 ? 76 ARG U CD 1 +ATOM 22107 N NE . ARG O 15 76 ? 12.603 -21.131 -106.390 1.00 83.72 ? 76 ARG U NE 1 +ATOM 22108 C CZ . ARG O 15 76 ? 13.818 -20.768 -106.783 1.00 108.98 ? 76 ARG U CZ 1 +ATOM 22109 N NH1 . ARG O 15 76 ? 14.319 -19.580 -106.469 1.00 97.29 ? 76 ARG U NH1 1 +ATOM 22110 N NH2 . ARG O 15 76 ? 14.547 -21.614 -107.512 1.00 98.91 ? 76 ARG U NH2 1 +ATOM 22111 N N . GLU O 15 77 ? 10.285 -23.888 -101.528 1.00 64.83 ? 77 GLU U N 1 +ATOM 22112 C CA . GLU O 15 77 ? 9.157 -24.691 -101.081 1.00 75.71 ? 77 GLU U CA 1 +ATOM 22113 C C . GLU O 15 77 ? 8.882 -24.543 -99.587 1.00 78.24 ? 77 GLU U C 1 +ATOM 22114 O O . GLU O 15 77 ? 7.801 -24.925 -99.122 1.00 79.06 ? 77 GLU U O 1 +ATOM 22115 C CB . GLU O 15 77 ? 9.417 -26.160 -101.409 1.00 78.30 ? 77 GLU U CB 1 +ATOM 22116 C CG . GLU O 15 77 ? 9.650 -26.431 -102.886 1.00 104.79 ? 77 GLU U CG 1 +ATOM 22117 C CD . GLU O 15 77 ? 9.774 -27.915 -103.181 1.00 116.00 ? 77 GLU U CD 1 +ATOM 22118 O OE1 . GLU O 15 77 ? 9.784 -28.710 -102.213 1.00 112.18 ? 77 GLU U OE1 1 +ATOM 22119 O OE2 . GLU O 15 77 ? 9.862 -28.285 -104.373 1.00 128.61 ? 77 GLU U OE2 1 +ATOM 22120 N N . ASN O 15 78 ? 9.830 -24.003 -98.827 1.00 70.50 ? 78 ASN U N 1 +ATOM 22121 C CA . ASN O 15 78 ? 9.722 -23.961 -97.376 1.00 78.07 ? 78 ASN U CA 1 +ATOM 22122 C C . ASN O 15 78 ? 9.559 -22.556 -96.826 1.00 85.18 ? 78 ASN U C 1 +ATOM 22123 O O . ASN O 15 78 ? 9.538 -22.389 -95.597 1.00 74.71 ? 78 ASN U O 1 +ATOM 22124 C CB . ASN O 15 78 ? 10.941 -24.627 -96.743 1.00 63.60 ? 78 ASN U CB 1 +ATOM 22125 C CG . ASN O 15 78 ? 10.788 -26.122 -96.666 1.00 70.42 ? 78 ASN U CG 1 +ATOM 22126 O OD1 . ASN O 15 78 ? 11.544 -26.862 -97.283 1.00 73.81 ? 78 ASN U OD1 1 +ATOM 22127 N ND2 . ASN O 15 78 ? 9.787 -26.578 -95.919 1.00 67.03 ? 78 ASN U ND2 1 +ATOM 22128 N N . LEU O 15 79 ? 9.438 -21.544 -97.698 1.00 72.29 ? 79 LEU U N 1 +ATOM 22129 C CA . LEU O 15 79 ? 9.393 -20.167 -97.214 1.00 76.86 ? 79 LEU U CA 1 +ATOM 22130 C C . LEU O 15 79 ? 8.192 -19.930 -96.307 1.00 65.58 ? 79 LEU U C 1 +ATOM 22131 O O . LEU O 15 79 ? 8.286 -19.165 -95.341 1.00 65.00 ? 79 LEU U O 1 +ATOM 22132 C CB . LEU O 15 79 ? 9.380 -19.179 -98.387 1.00 75.22 ? 79 LEU U CB 1 +ATOM 22133 C CG . LEU O 15 79 ? 10.674 -19.017 -99.197 1.00 80.81 ? 79 LEU U CG 1 +ATOM 22134 C CD1 . LEU O 15 79 ? 10.511 -17.985 -100.309 1.00 78.34 ? 79 LEU U CD1 1 +ATOM 22135 C CD2 . LEU O 15 79 ? 11.870 -18.673 -98.328 1.00 70.69 ? 79 LEU U CD2 1 +ATOM 22136 N N . GLU O 15 80 ? 7.055 -20.566 -96.598 1.00 60.11 ? 80 GLU U N 1 +ATOM 22137 C CA . GLU O 15 80 ? 5.881 -20.371 -95.753 1.00 71.95 ? 80 GLU U CA 1 +ATOM 22138 C C . GLU O 15 80 ? 6.065 -20.932 -94.346 1.00 76.11 ? 80 GLU U C 1 +ATOM 22139 O O . GLU O 15 80 ? 5.248 -20.634 -93.468 1.00 70.00 ? 80 GLU U O 1 +ATOM 22140 C CB . GLU O 15 80 ? 4.642 -20.997 -96.403 1.00 75.35 ? 80 GLU U CB 1 +ATOM 22141 C CG . GLU O 15 80 ? 4.701 -22.515 -96.537 1.00 98.29 ? 80 GLU U CG 1 +ATOM 22142 C CD . GLU O 15 80 ? 4.191 -23.006 -97.887 1.00 136.66 ? 80 GLU U CD 1 +ATOM 22143 O OE1 . GLU O 15 80 ? 3.830 -22.159 -98.745 1.00 143.11 ? 80 GLU U OE1 1 +ATOM 22144 O OE2 . GLU O 15 80 ? 4.159 -24.241 -98.092 1.00 136.00 ? 80 GLU U OE2 1 +ATOM 22145 N N . HIS O 15 81 ? 7.111 -21.724 -94.113 1.00 63.43 ? 81 HIS U N 1 +ATOM 22146 C CA . HIS O 15 81 ? 7.432 -22.228 -92.786 1.00 67.27 ? 81 HIS U CA 1 +ATOM 22147 C C . HIS O 15 81 ? 8.450 -21.363 -92.059 1.00 66.22 ? 81 HIS U C 1 +ATOM 22148 O O . HIS O 15 81 ? 8.758 -21.649 -90.898 1.00 69.38 ? 81 HIS U O 1 +ATOM 22149 C CB . HIS O 15 81 ? 7.966 -23.661 -92.868 1.00 60.74 ? 81 HIS U CB 1 +ATOM 22150 C CG . HIS O 15 81 ? 7.045 -24.609 -93.564 1.00 75.88 ? 81 HIS U CG 1 +ATOM 22151 N ND1 . HIS O 15 81 ? 7.447 -25.391 -94.629 1.00 74.68 ? 81 HIS U ND1 1 +ATOM 22152 C CD2 . HIS O 15 81 ? 5.743 -24.911 -93.343 1.00 64.97 ? 81 HIS U CD2 1 +ATOM 22153 C CE1 . HIS O 15 81 ? 6.431 -26.134 -95.032 1.00 69.52 ? 81 HIS U CE1 1 +ATOM 22154 N NE2 . HIS O 15 81 ? 5.385 -25.858 -94.272 1.00 72.50 ? 81 HIS U NE2 1 +ATOM 22155 N N . PHE O 15 82 ? 8.991 -20.339 -92.709 1.00 61.05 ? 82 PHE U N 1 +ATOM 22156 C CA . PHE O 15 82 ? 9.983 -19.470 -92.100 1.00 55.76 ? 82 PHE U CA 1 +ATOM 22157 C C . PHE O 15 82 ? 9.354 -18.149 -91.685 1.00 69.33 ? 82 PHE U C 1 +ATOM 22158 O O . PHE O 15 82 ? 8.294 -17.753 -92.175 1.00 64.81 ? 82 PHE U O 1 +ATOM 22159 C CB . PHE O 15 82 ? 11.147 -19.198 -93.050 1.00 61.34 ? 82 PHE U CB 1 +ATOM 22160 C CG . PHE O 15 82 ? 11.893 -20.433 -93.477 1.00 67.69 ? 82 PHE U CG 1 +ATOM 22161 C CD1 . PHE O 15 82 ? 11.853 -21.596 -92.709 1.00 58.07 ? 82 PHE U CD1 1 +ATOM 22162 C CD2 . PHE O 15 82 ? 12.657 -20.424 -94.640 1.00 60.03 ? 82 PHE U CD2 1 +ATOM 22163 C CE1 . PHE O 15 82 ? 12.553 -22.732 -93.102 1.00 60.95 ? 82 PHE U CE1 1 +ATOM 22164 C CE2 . PHE O 15 82 ? 13.355 -21.558 -95.043 1.00 67.32 ? 82 PHE U CE2 1 +ATOM 22165 C CZ . PHE O 15 82 ? 13.308 -22.713 -94.270 1.00 65.65 ? 82 PHE U CZ 1 +ATOM 22166 N N . THR O 15 83 ? 10.021 -17.483 -90.740 1.00 66.77 ? 83 THR U N 1 +ATOM 22167 C CA . THR O 15 83 ? 9.718 -16.107 -90.387 1.00 48.53 ? 83 THR U CA 1 +ATOM 22168 C C . THR O 15 83 ? 11.032 -15.430 -90.027 1.00 56.24 ? 83 THR U C 1 +ATOM 22169 O O . THR O 15 83 ? 12.086 -16.067 -89.947 1.00 60.35 ? 83 THR U O 1 +ATOM 22170 C CB . THR O 15 83 ? 8.707 -16.018 -89.238 1.00 64.08 ? 83 THR U CB 1 +ATOM 22171 O OG1 . THR O 15 83 ? 8.184 -14.687 -89.162 1.00 58.22 ? 83 THR U OG1 1 +ATOM 22172 C CG2 . THR O 15 83 ? 9.369 -16.358 -87.883 1.00 53.85 ? 83 THR U CG2 1 +ATOM 22173 N N . VAL O 15 84 ? 10.966 -14.124 -89.814 1.00 52.38 ? 84 VAL U N 1 +ATOM 22174 C CA . VAL O 15 84 ? 12.077 -13.393 -89.220 1.00 60.65 ? 84 VAL U CA 1 +ATOM 22175 C C . VAL O 15 84 ? 11.501 -12.444 -88.188 1.00 59.85 ? 84 VAL U C 1 +ATOM 22176 O O . VAL O 15 84 ? 10.470 -11.806 -88.425 1.00 63.33 ? 84 VAL U O 1 +ATOM 22177 C CB . VAL O 15 84 ? 12.920 -12.623 -90.258 1.00 68.28 ? 84 VAL U CB 1 +ATOM 22178 C CG1 . VAL O 15 84 ? 13.709 -13.603 -91.141 1.00 59.88 ? 84 VAL U CG1 1 +ATOM 22179 C CG2 . VAL O 15 84 ? 12.030 -11.739 -91.111 1.00 58.14 ? 84 VAL U CG2 1 +ATOM 22180 N N . THR O 15 85 ? 12.119 -12.413 -87.015 1.00 63.33 ? 85 THR U N 1 +ATOM 22181 C CA . THR O 15 85 ? 11.883 -11.356 -86.052 1.00 54.70 ? 85 THR U CA 1 +ATOM 22182 C C . THR O 15 85 ? 13.242 -10.784 -85.683 1.00 60.24 ? 85 THR U C 1 +ATOM 22183 O O . THR O 15 85 ? 14.284 -11.308 -86.092 1.00 60.54 ? 85 THR U O 1 +ATOM 22184 C CB . THR O 15 85 ? 11.112 -11.860 -84.822 1.00 61.55 ? 85 THR U CB 1 +ATOM 22185 O OG1 . THR O 15 85 ? 11.965 -12.686 -84.011 1.00 57.27 ? 85 THR U OG1 1 +ATOM 22186 C CG2 . THR O 15 85 ? 9.856 -12.658 -85.243 1.00 55.05 ? 85 THR U CG2 1 +ATOM 22187 N N A GLU O 15 86 ? 13.227 -9.667 -84.957 0.50 56.44 ? 86 GLU U N 1 +ATOM 22188 N N B GLU O 15 86 ? 13.209 -9.716 -84.893 0.50 56.50 ? 86 GLU U N 1 +ATOM 22189 C CA A GLU O 15 86 ? 14.466 -9.036 -84.523 0.50 60.88 ? 86 GLU U CA 1 +ATOM 22190 C CA B GLU O 15 86 ? 14.416 -9.070 -84.394 0.50 60.98 ? 86 GLU U CA 1 +ATOM 22191 C C A GLU O 15 86 ? 15.299 -10.013 -83.701 0.50 62.98 ? 86 GLU U C 1 +ATOM 22192 C C B GLU O 15 86 ? 15.304 -10.075 -83.672 0.50 62.95 ? 86 GLU U C 1 +ATOM 22193 O O A GLU O 15 86 ? 14.768 -10.815 -82.926 0.50 53.03 ? 86 GLU U O 1 +ATOM 22194 O O B GLU O 15 86 ? 14.815 -10.971 -82.976 0.50 52.69 ? 86 GLU U O 1 +ATOM 22195 C CB A GLU O 15 86 ? 14.179 -7.781 -83.697 0.50 59.01 ? 86 GLU U CB 1 +ATOM 22196 C CB B GLU O 15 86 ? 14.037 -7.942 -83.428 0.50 56.02 ? 86 GLU U CB 1 +ATOM 22197 C CG A GLU O 15 86 ? 13.121 -6.840 -84.278 0.50 89.04 ? 86 GLU U CG 1 +ATOM 22198 C CG B GLU O 15 86 ? 13.033 -6.912 -83.971 0.50 88.42 ? 86 GLU U CG 1 +ATOM 22199 C CD A GLU O 15 86 ? 13.620 -5.994 -85.447 0.50 97.96 ? 86 GLU U CD 1 +ATOM 22200 C CD B GLU O 15 86 ? 11.634 -7.482 -84.241 0.50 85.68 ? 86 GLU U CD 1 +ATOM 22201 O OE1 A GLU O 15 86 ? 14.852 -5.926 -85.673 0.50 104.44 ? 86 GLU U OE1 1 +ATOM 22202 O OE1 B GLU O 15 86 ? 11.370 -8.661 -83.893 0.50 72.87 ? 86 GLU U OE1 1 +ATOM 22203 O OE2 A GLU O 15 86 ? 12.769 -5.391 -86.139 0.50 105.22 ? 86 GLU U OE2 1 +ATOM 22204 O OE2 B GLU O 15 86 ? 10.805 -6.749 -84.818 0.50 102.75 ? 86 GLU U OE2 1 +ATOM 22205 N N . VAL O 15 87 ? 16.622 -9.916 -83.822 1.00 58.12 ? 87 VAL U N 1 +ATOM 22206 C CA . VAL O 15 87 ? 17.529 -10.796 -83.094 1.00 53.60 ? 87 VAL U CA 1 +ATOM 22207 C C . VAL O 15 87 ? 17.362 -10.578 -81.600 1.00 54.17 ? 87 VAL U C 1 +ATOM 22208 O O . VAL O 15 87 ? 17.388 -9.443 -81.121 1.00 59.03 ? 87 VAL U O 1 +ATOM 22209 C CB . VAL O 15 87 ? 18.978 -10.544 -83.537 1.00 54.24 ? 87 VAL U CB 1 +ATOM 22210 C CG1 . VAL O 15 87 ? 19.969 -11.314 -82.664 1.00 58.45 ? 87 VAL U CG1 1 +ATOM 22211 C CG2 . VAL O 15 87 ? 19.149 -10.942 -84.983 1.00 53.25 ? 87 VAL U CG2 1 +ATOM 22212 N N . GLU O 15 88 ? 17.182 -11.669 -80.852 1.00 56.81 ? 88 GLU U N 1 +ATOM 22213 C CA . GLU O 15 88 ? 17.089 -11.626 -79.396 1.00 46.16 ? 88 GLU U CA 1 +ATOM 22214 C C . GLU O 15 88 ? 18.413 -12.124 -78.821 1.00 55.13 ? 88 GLU U C 1 +ATOM 22215 O O . GLU O 15 88 ? 18.754 -13.302 -78.958 1.00 50.96 ? 88 GLU U O 1 +ATOM 22216 C CB . GLU O 15 88 ? 15.920 -12.464 -78.886 1.00 51.42 ? 88 GLU U CB 1 +ATOM 22217 C CG . GLU O 15 88 ? 15.915 -12.586 -77.351 1.00 56.90 ? 88 GLU U CG 1 +ATOM 22218 C CD . GLU O 15 88 ? 16.070 -11.222 -76.652 1.00 70.31 ? 88 GLU U CD 1 +ATOM 22219 O OE1 . GLU O 15 88 ? 15.159 -10.374 -76.841 1.00 58.59 ? 88 GLU U OE1 1 +ATOM 22220 O OE2 . GLU O 15 88 ? 17.089 -11.014 -75.916 1.00 54.52 ? 88 GLU U OE2 1 +ATOM 22221 N N . THR O 15 89 ? 19.159 -11.219 -78.192 1.00 50.42 ? 89 THR U N 1 +ATOM 22222 C CA . THR O 15 89 ? 20.459 -11.559 -77.618 1.00 60.35 ? 89 THR U CA 1 +ATOM 22223 C C . THR O 15 89 ? 20.413 -12.832 -76.766 1.00 60.75 ? 89 THR U C 1 +ATOM 22224 O O . THR O 15 89 ? 21.336 -13.653 -76.817 1.00 62.47 ? 89 THR U O 1 +ATOM 22225 C CB . THR O 15 89 ? 20.941 -10.365 -76.786 1.00 57.73 ? 89 THR U CB 1 +ATOM 22226 O OG1 . THR O 15 89 ? 21.048 -9.232 -77.648 1.00 75.88 ? 89 THR U OG1 1 +ATOM 22227 C CG2 . THR O 15 89 ? 22.283 -10.619 -76.158 1.00 58.47 ? 89 THR U CG2 1 +ATOM 22228 N N . ALA O 15 90 ? 19.342 -13.017 -75.976 1.00 57.23 ? 90 ALA U N 1 +ATOM 22229 C CA . ALA O 15 90 ? 19.292 -14.156 -75.054 1.00 58.99 ? 90 ALA U CA 1 +ATOM 22230 C C . ALA O 15 90 ? 19.179 -15.485 -75.790 1.00 60.08 ? 90 ALA U C 1 +ATOM 22231 O O . ALA O 15 90 ? 19.616 -16.520 -75.269 1.00 55.45 ? 90 ALA U O 1 +ATOM 22232 C CB . ALA O 15 90 ? 18.123 -14.008 -74.077 1.00 50.49 ? 90 ALA U CB 1 +ATOM 22233 N N . LEU O 15 91 ? 18.604 -15.478 -76.991 1.00 48.19 ? 91 LEU U N 1 +ATOM 22234 C CA . LEU O 15 91 ? 18.492 -16.693 -77.783 1.00 51.82 ? 91 LEU U CA 1 +ATOM 22235 C C . LEU O 15 91 ? 19.726 -16.981 -78.635 1.00 57.62 ? 91 LEU U C 1 +ATOM 22236 O O . LEU O 15 91 ? 19.899 -18.128 -79.069 1.00 52.82 ? 91 LEU U O 1 +ATOM 22237 C CB . LEU O 15 91 ? 17.238 -16.628 -78.674 1.00 44.00 ? 91 LEU U CB 1 +ATOM 22238 C CG . LEU O 15 91 ? 15.932 -16.657 -77.856 1.00 50.14 ? 91 LEU U CG 1 +ATOM 22239 C CD1 . LEU O 15 91 ? 14.710 -16.334 -78.735 1.00 49.34 ? 91 LEU U CD1 1 +ATOM 22240 C CD2 . LEU O 15 91 ? 15.729 -17.981 -77.098 1.00 49.67 ? 91 LEU U CD2 1 +ATOM 22241 N N . VAL O 15 92 ? 20.596 -16.004 -78.882 1.00 51.72 ? 92 VAL U N 1 +ATOM 22242 C CA . VAL O 15 92 ? 21.675 -16.210 -79.841 1.00 48.30 ? 92 VAL U CA 1 +ATOM 22243 C C . VAL O 15 92 ? 23.059 -16.180 -79.210 1.00 52.19 ? 92 VAL U C 1 +ATOM 22244 O O . VAL O 15 92 ? 24.013 -16.689 -79.827 1.00 55.40 ? 92 VAL U O 1 +ATOM 22245 C CB . VAL O 15 92 ? 21.596 -15.201 -81.019 1.00 57.64 ? 92 VAL U CB 1 +ATOM 22246 C CG1 . VAL O 15 92 ? 20.245 -15.314 -81.735 1.00 50.00 ? 92 VAL U CG1 1 +ATOM 22247 C CG2 . VAL O 15 92 ? 21.874 -13.724 -80.557 1.00 47.17 ? 92 VAL U CG2 1 +ATOM 22248 N N . GLU O 15 93 ? 23.229 -15.640 -78.006 1.00 46.95 ? 93 GLU U N 1 +ATOM 22249 C CA . GLU O 15 93 ? 24.520 -15.734 -77.348 1.00 46.73 ? 93 GLU U CA 1 +ATOM 22250 C C . GLU O 15 93 ? 24.783 -17.174 -76.881 1.00 55.37 ? 93 GLU U C 1 +ATOM 22251 O O . GLU O 15 93 ? 23.911 -18.050 -76.932 1.00 50.96 ? 93 GLU U O 1 +ATOM 22252 C CB . GLU O 15 93 ? 24.585 -14.775 -76.159 1.00 49.84 ? 93 GLU U CB 1 +ATOM 22253 C CG . GLU O 15 93 ? 24.640 -13.301 -76.519 1.00 55.95 ? 93 GLU U CG 1 +ATOM 22254 C CD . GLU O 15 93 ? 25.934 -12.903 -77.184 1.00 58.16 ? 93 GLU U CD 1 +ATOM 22255 O OE1 . GLU O 15 93 ? 26.963 -13.581 -76.981 1.00 60.61 ? 93 GLU U OE1 1 +ATOM 22256 O OE2 . GLU O 15 93 ? 25.924 -11.907 -77.928 1.00 79.13 ? 93 GLU U OE2 1 +ATOM 22257 N N . GLY O 15 94 ? 26.010 -17.413 -76.412 1.00 50.77 ? 94 GLY U N 1 +ATOM 22258 C CA . GLY O 15 94 ? 26.386 -18.730 -75.930 1.00 50.17 ? 94 GLY U CA 1 +ATOM 22259 C C . GLY O 15 94 ? 26.463 -19.824 -76.978 1.00 51.83 ? 94 GLY U C 1 +ATOM 22260 O O . GLY O 15 94 ? 26.607 -20.999 -76.619 1.00 55.77 ? 94 GLY U O 1 +ATOM 22261 N N . GLY O 15 95 ? 26.375 -19.485 -78.261 1.00 50.98 ? 95 GLY U N 1 +ATOM 22262 C CA . GLY O 15 95 ? 26.258 -20.511 -79.267 1.00 44.55 ? 95 GLY U CA 1 +ATOM 22263 C C . GLY O 15 95 ? 24.968 -21.281 -79.174 1.00 50.93 ? 95 GLY U C 1 +ATOM 22264 O O . GLY O 15 95 ? 24.893 -22.425 -79.653 1.00 48.30 ? 95 GLY U O 1 +ATOM 22265 N N . ASP O 15 96 ? 23.949 -20.687 -78.552 1.00 48.68 ? 96 ASP U N 1 +ATOM 22266 C CA . ASP O 15 96 ? 22.736 -21.422 -78.234 1.00 51.51 ? 96 ASP U CA 1 +ATOM 22267 C C . ASP O 15 96 ? 21.940 -21.815 -79.473 1.00 47.32 ? 96 ASP U C 1 +ATOM 22268 O O . ASP O 15 96 ? 21.177 -22.778 -79.407 1.00 51.70 ? 96 ASP U O 1 +ATOM 22269 C CB . ASP O 15 96 ? 21.886 -20.608 -77.246 1.00 49.23 ? 96 ASP U CB 1 +ATOM 22270 C CG . ASP O 15 96 ? 22.402 -20.738 -75.810 1.00 52.48 ? 96 ASP U CG 1 +ATOM 22271 O OD1 . ASP O 15 96 ? 23.436 -21.424 -75.627 1.00 48.21 ? 96 ASP U OD1 1 +ATOM 22272 O OD2 . ASP O 15 96 ? 21.802 -20.168 -74.876 1.00 47.67 ? 96 ASP U OD2 1 +ATOM 22273 N N . ARG O 15 97 ? 22.108 -21.118 -80.605 1.00 46.36 ? 97 ARG U N 1 +ATOM 22274 C CA . ARG O 15 97 ? 21.468 -21.590 -81.835 1.00 52.47 ? 97 ARG U CA 1 +ATOM 22275 C C . ARG O 15 97 ? 22.024 -22.928 -82.296 1.00 52.34 ? 97 ARG U C 1 +ATOM 22276 O O . ARG O 15 97 ? 21.327 -23.657 -83.016 1.00 56.05 ? 97 ARG U O 1 +ATOM 22277 C CB . ARG O 15 97 ? 21.615 -20.580 -82.982 1.00 50.22 ? 97 ARG U CB 1 +ATOM 22278 C CG . ARG O 15 97 ? 20.893 -19.267 -82.739 1.00 51.84 ? 97 ARG U CG 1 +ATOM 22279 C CD . ARG O 15 97 ? 20.624 -18.519 -84.039 1.00 52.82 ? 97 ARG U CD 1 +ATOM 22280 N NE . ARG O 15 97 ? 19.557 -19.120 -84.838 1.00 53.24 ? 97 ARG U NE 1 +ATOM 22281 C CZ . ARG O 15 97 ? 19.215 -18.693 -86.052 1.00 56.86 ? 97 ARG U CZ 1 +ATOM 22282 N NH1 . ARG O 15 97 ? 19.888 -17.731 -86.663 1.00 47.67 ? 97 ARG U NH1 1 +ATOM 22283 N NH2 . ARG O 15 97 ? 18.162 -19.232 -86.661 1.00 52.82 ? 97 ARG U NH2 1 +ATOM 22284 N N . TYR O 15 98 ? 23.255 -23.270 -81.905 1.00 48.60 ? 98 TYR U N 1 +ATOM 22285 C CA . TYR O 15 98 ? 23.813 -24.564 -82.274 1.00 52.48 ? 98 TYR U CA 1 +ATOM 22286 C C . TYR O 15 98 ? 23.513 -25.632 -81.245 1.00 57.25 ? 98 TYR U C 1 +ATOM 22287 O O . TYR O 15 98 ? 23.379 -26.800 -81.603 1.00 55.81 ? 98 TYR U O 1 +ATOM 22288 C CB . TYR O 15 98 ? 25.325 -24.456 -82.480 1.00 53.83 ? 98 TYR U CB 1 +ATOM 22289 C CG . TYR O 15 98 ? 25.647 -23.519 -83.607 1.00 60.84 ? 98 TYR U CG 1 +ATOM 22290 C CD1 . TYR O 15 98 ? 25.504 -23.937 -84.939 1.00 56.09 ? 98 TYR U CD1 1 +ATOM 22291 C CD2 . TYR O 15 98 ? 26.034 -22.209 -83.359 1.00 51.08 ? 98 TYR U CD2 1 +ATOM 22292 C CE1 . TYR O 15 98 ? 25.764 -23.085 -85.988 1.00 55.58 ? 98 TYR U CE1 1 +ATOM 22293 C CE2 . TYR O 15 98 ? 26.306 -21.338 -84.417 1.00 56.98 ? 98 TYR U CE2 1 +ATOM 22294 C CZ . TYR O 15 98 ? 26.168 -21.787 -85.731 1.00 69.35 ? 98 TYR U CZ 1 +ATOM 22295 O OH . TYR O 15 98 ? 26.418 -20.944 -86.792 1.00 62.68 ? 98 TYR U OH 1 +ATOM 22296 N N . ASN O 15 99 ? 23.404 -25.253 -79.975 1.00 54.06 ? 99 ASN U N 1 +ATOM 22297 C CA . ASN O 15 99 ? 23.164 -26.215 -78.909 1.00 51.32 ? 99 ASN U CA 1 +ATOM 22298 C C . ASN O 15 99 ? 22.577 -25.413 -77.756 1.00 55.99 ? 99 ASN U C 1 +ATOM 22299 O O . ASN O 15 99 ? 23.279 -24.595 -77.151 1.00 51.55 ? 99 ASN U O 1 +ATOM 22300 C CB . ASN O 15 99 ? 24.456 -26.937 -78.525 1.00 44.99 ? 99 ASN U CB 1 +ATOM 22301 C CG . ASN O 15 99 ? 24.222 -28.046 -77.505 1.00 51.62 ? 99 ASN U CG 1 +ATOM 22302 O OD1 . ASN O 15 99 ? 23.333 -27.943 -76.660 1.00 47.77 ? 99 ASN U OD1 1 +ATOM 22303 N ND2 . ASN O 15 99 ? 25.029 -29.111 -77.575 1.00 46.55 ? 99 ASN U ND2 1 +ATOM 22304 N N . ASN O 15 100 ? 21.289 -25.604 -77.488 1.00 42.63 ? 100 ASN U N 1 +ATOM 22305 C CA . ASN O 15 100 ? 20.596 -24.798 -76.503 1.00 48.08 ? 100 ASN U CA 1 +ATOM 22306 C C . ASN O 15 100 ? 20.316 -25.576 -75.210 1.00 51.46 ? 100 ASN U C 1 +ATOM 22307 O O . ASN O 15 100 ? 19.394 -25.226 -74.458 1.00 48.90 ? 100 ASN U O 1 +ATOM 22308 C CB . ASN O 15 100 ? 19.306 -24.231 -77.105 1.00 51.34 ? 100 ASN U CB 1 +ATOM 22309 C CG . ASN O 15 100 ? 18.304 -25.324 -77.476 1.00 53.63 ? 100 ASN U CG 1 +ATOM 22310 O OD1 . ASN O 15 100 ? 18.586 -26.504 -77.312 1.00 49.95 ? 100 ASN U OD1 1 +ATOM 22311 N ND2 . ASN O 15 100 ? 17.116 -24.922 -77.938 1.00 49.08 ? 100 ASN U ND2 1 +ATOM 22312 N N A GLY O 15 101 ? 21.100 -26.613 -74.926 0.40 47.95 ? 101 GLY U N 1 +ATOM 22313 N N B GLY O 15 101 ? 21.095 -26.621 -74.951 0.60 47.88 ? 101 GLY U N 1 +ATOM 22314 C CA A GLY O 15 101 ? 20.986 -27.385 -73.708 0.40 48.57 ? 101 GLY U CA 1 +ATOM 22315 C CA B GLY O 15 101 ? 20.990 -27.384 -73.726 0.60 48.57 ? 101 GLY U CA 1 +ATOM 22316 C C A GLY O 15 101 ? 19.861 -28.398 -73.682 0.40 53.11 ? 101 GLY U C 1 +ATOM 22317 C C B GLY O 15 101 ? 19.860 -28.388 -73.692 0.60 53.17 ? 101 GLY U C 1 +ATOM 22318 O O A GLY O 15 101 ? 19.697 -29.085 -72.668 0.40 55.82 ? 101 GLY U O 1 +ATOM 22319 O O B GLY O 15 101 ? 19.671 -29.045 -72.661 0.60 56.03 ? 101 GLY U O 1 +ATOM 22320 N N . LEU O 15 102 ? 19.102 -28.518 -74.774 1.00 51.66 ? 102 LEU U N 1 +ATOM 22321 C CA . LEU O 15 102 ? 17.981 -29.437 -74.868 1.00 48.43 ? 102 LEU U CA 1 +ATOM 22322 C C . LEU O 15 102 ? 18.384 -30.625 -75.715 1.00 50.98 ? 102 LEU U C 1 +ATOM 22323 O O . LEU O 15 102 ? 18.874 -30.473 -76.833 1.00 55.94 ? 102 LEU U O 1 +ATOM 22324 C CB . LEU O 15 102 ? 16.748 -28.790 -75.501 1.00 53.55 ? 102 LEU U CB 1 +ATOM 22325 C CG . LEU O 15 102 ? 15.818 -28.017 -74.569 1.00 69.07 ? 102 LEU U CG 1 +ATOM 22326 C CD1 . LEU O 15 102 ? 16.512 -26.770 -74.087 1.00 60.10 ? 102 LEU U CD1 1 +ATOM 22327 C CD2 . LEU O 15 102 ? 14.493 -27.667 -75.243 1.00 61.53 ? 102 LEU U CD2 1 +ATOM 22328 N N A TYR O 15 103 ? 18.204 -31.807 -75.166 0.40 52.50 ? 103 TYR U N 1 +ATOM 22329 N N B TYR O 15 103 ? 18.167 -31.812 -75.175 0.60 52.47 ? 103 TYR U N 1 +ATOM 22330 C CA A TYR O 15 103 ? 18.345 -33.025 -75.934 0.40 53.81 ? 103 TYR U CA 1 +ATOM 22331 C CA B TYR O 15 103 ? 18.376 -33.035 -75.921 0.60 53.84 ? 103 TYR U CA 1 +ATOM 22332 C C A TYR O 15 103 ? 16.966 -33.664 -75.845 0.40 55.76 ? 103 TYR U C 1 +ATOM 22333 C C B TYR O 15 103 ? 17.028 -33.742 -75.922 0.60 55.53 ? 103 TYR U C 1 +ATOM 22334 O O A TYR O 15 103 ? 15.968 -32.945 -75.939 0.40 67.52 ? 103 TYR U O 1 +ATOM 22335 O O B TYR O 15 103 ? 16.017 -33.117 -76.245 0.60 70.26 ? 103 TYR U O 1 +ATOM 22336 C CB A TYR O 15 103 ? 19.487 -33.862 -75.362 0.40 51.40 ? 103 TYR U CB 1 +ATOM 22337 C CB B TYR O 15 103 ? 19.517 -33.833 -75.294 0.60 51.31 ? 103 TYR U CB 1 +ATOM 22338 C CG A TYR O 15 103 ? 20.827 -33.128 -75.357 0.40 49.95 ? 103 TYR U CG 1 +ATOM 22339 C CG B TYR O 15 103 ? 20.845 -33.085 -75.300 0.60 49.90 ? 103 TYR U CG 1 +ATOM 22340 C CD1 A TYR O 15 103 ? 21.605 -33.049 -76.511 0.40 53.84 ? 103 TYR U CD1 1 +ATOM 22341 C CD1 B TYR O 15 103 ? 21.609 -32.993 -76.460 0.60 53.98 ? 103 TYR U CD1 1 +ATOM 22342 C CD2 A TYR O 15 103 ? 21.314 -32.512 -74.203 0.40 51.82 ? 103 TYR U CD2 1 +ATOM 22343 C CD2 B TYR O 15 103 ? 21.331 -32.464 -74.153 0.60 51.96 ? 103 TYR U CD2 1 +ATOM 22344 C CE1 A TYR O 15 103 ? 22.836 -32.386 -76.518 0.40 46.72 ? 103 TYR U CE1 1 +ATOM 22345 C CE1 B TYR O 15 103 ? 22.828 -32.315 -76.476 0.60 46.65 ? 103 TYR U CE1 1 +ATOM 22346 C CE2 A TYR O 15 103 ? 22.547 -31.842 -74.201 0.40 44.99 ? 103 TYR U CE2 1 +ATOM 22347 C CE2 B TYR O 15 103 ? 22.551 -31.775 -74.163 0.60 44.83 ? 103 TYR U CE2 1 +ATOM 22348 C CZ A TYR O 15 103 ? 23.298 -31.780 -75.368 0.40 48.86 ? 103 TYR U CZ 1 +ATOM 22349 C CZ B TYR O 15 103 ? 23.288 -31.704 -75.330 0.60 48.77 ? 103 TYR U CZ 1 +ATOM 22350 O OH A TYR O 15 103 ? 24.519 -31.148 -75.380 0.40 42.95 ? 103 TYR U OH 1 +ATOM 22351 O OH B TYR O 15 103 ? 24.498 -31.047 -75.351 0.60 42.87 ? 103 TYR U OH 1 +ATOM 22352 N N A LYS O 15 104 ? 16.863 -34.954 -75.577 0.40 49.76 ? 104 LYS U N 1 +ATOM 22353 N N B LYS O 15 104 ? 16.957 -34.996 -75.518 0.60 49.50 ? 104 LYS U N 1 +ATOM 22354 C CA A LYS O 15 104 ? 15.532 -35.516 -75.353 0.40 57.43 ? 104 LYS U CA 1 +ATOM 22355 C CA B LYS O 15 104 ? 15.633 -35.576 -75.330 0.60 57.68 ? 104 LYS U CA 1 +ATOM 22356 C C A LYS O 15 104 ? 15.071 -35.251 -73.910 0.40 66.13 ? 104 LYS U C 1 +ATOM 22357 C C B LYS O 15 104 ? 15.151 -35.331 -73.890 0.60 66.42 ? 104 LYS U C 1 +ATOM 22358 O O A LYS O 15 104 ? 15.899 -35.247 -73.001 0.40 56.42 ? 104 LYS U O 1 +ATOM 22359 O O B LYS O 15 104 ? 15.948 -35.373 -72.945 0.60 56.79 ? 104 LYS U O 1 +ATOM 22360 C CB A LYS O 15 104 ? 15.532 -37.020 -75.661 0.40 55.83 ? 104 LYS U CB 1 +ATOM 22361 C CB B LYS O 15 104 ? 15.653 -37.070 -75.665 0.60 55.59 ? 104 LYS U CB 1 +ATOM 22362 C CG A LYS O 15 104 ? 15.562 -37.326 -77.148 0.40 55.34 ? 104 LYS U CG 1 +ATOM 22363 C CG B LYS O 15 104 ? 15.662 -37.347 -77.145 0.60 55.23 ? 104 LYS U CG 1 +ATOM 22364 C CD A LYS O 15 104 ? 14.176 -37.178 -77.767 0.40 56.32 ? 104 LYS U CD 1 +ATOM 22365 C CD B LYS O 15 104 ? 14.292 -37.054 -77.765 0.60 56.26 ? 104 LYS U CD 1 +ATOM 22366 C CE A LYS O 15 104 ? 14.183 -37.600 -79.237 0.40 52.64 ? 104 LYS U CE 1 +ATOM 22367 C CE B LYS O 15 104 ? 14.250 -37.498 -79.234 0.60 52.62 ? 104 LYS U CE 1 +ATOM 22368 N NZ A LYS O 15 104 ? 12.830 -37.444 -79.794 0.40 53.87 ? 104 LYS U NZ 1 +ATOM 22369 N NZ B LYS O 15 104 ? 12.866 -37.473 -79.758 0.60 53.93 ? 104 LYS U NZ 1 +ATOM 22370 O OXT A LYS O 15 104 ? 13.887 -35.024 -73.603 0.40 67.65 ? 104 LYS U OXT 1 +ATOM 22371 O OXT B LYS O 15 104 ? 13.966 -35.069 -73.622 0.60 67.98 ? 104 LYS U OXT 1 +ATOM 22372 N N . ALA P 16 1 ? -4.397 -57.651 -75.371 1.00 60.71 ? 1 ALA V N 1 +ATOM 22373 C CA . ALA P 16 1 ? -3.731 -57.185 -76.580 1.00 58.23 ? 1 ALA V CA 1 +ATOM 22374 C C . ALA P 16 1 ? -2.728 -58.249 -77.031 1.00 62.80 ? 1 ALA V C 1 +ATOM 22375 O O . ALA P 16 1 ? -2.147 -58.950 -76.202 1.00 57.23 ? 1 ALA V O 1 +ATOM 22376 C CB . ALA P 16 1 ? -3.052 -55.846 -76.333 1.00 52.45 ? 1 ALA V CB 1 +ATOM 22377 N N A GLU P 16 2 ? -2.521 -58.368 -78.349 0.50 61.02 ? 2 GLU V N 1 +ATOM 22378 N N B GLU P 16 2 ? -2.533 -58.369 -78.339 0.50 61.03 ? 2 GLU V N 1 +ATOM 22379 C CA A GLU P 16 2 ? -1.672 -59.418 -78.895 0.50 63.35 ? 2 GLU V CA 1 +ATOM 22380 C CA B GLU P 16 2 ? -1.639 -59.380 -78.875 0.50 63.25 ? 2 GLU V CA 1 +ATOM 22381 C C A GLU P 16 2 ? -0.910 -58.872 -80.093 0.50 60.12 ? 2 GLU V C 1 +ATOM 22382 C C B GLU P 16 2 ? -0.836 -58.789 -80.017 0.50 59.88 ? 2 GLU V C 1 +ATOM 22383 O O A GLU P 16 2 ? -1.313 -57.887 -80.719 0.50 62.07 ? 2 GLU V O 1 +ATOM 22384 O O B GLU P 16 2 ? -1.171 -57.736 -80.569 0.50 60.76 ? 2 GLU V O 1 +ATOM 22385 C CB A GLU P 16 2 ? -2.505 -60.660 -79.282 0.50 60.98 ? 2 GLU V CB 1 +ATOM 22386 C CB B GLU P 16 2 ? -2.409 -60.637 -79.336 0.50 60.99 ? 2 GLU V CB 1 +ATOM 22387 C CG A GLU P 16 2 ? -1.741 -61.828 -79.907 0.50 71.96 ? 2 GLU V CG 1 +ATOM 22388 C CG B GLU P 16 2 ? -2.709 -61.606 -78.195 0.50 55.24 ? 2 GLU V CG 1 +ATOM 22389 C CD A GLU P 16 2 ? -0.626 -62.389 -79.027 0.50 72.23 ? 2 GLU V CD 1 +ATOM 22390 C CD B GLU P 16 2 ? -3.679 -62.723 -78.562 0.50 75.13 ? 2 GLU V CD 1 +ATOM 22391 O OE1 A GLU P 16 2 ? 0.475 -61.796 -79.000 0.50 56.82 ? 2 GLU V OE1 1 +ATOM 22392 O OE1 B GLU P 16 2 ? -4.265 -62.674 -79.662 0.50 79.23 ? 2 GLU V OE1 1 +ATOM 22393 O OE2 A GLU P 16 2 ? -0.844 -63.442 -78.384 0.50 62.18 ? 2 GLU V OE2 1 +ATOM 22394 O OE2 B GLU P 16 2 ? -3.860 -63.652 -77.737 0.50 88.68 ? 2 GLU V OE2 1 +ATOM 22395 N N . LEU P 16 3 ? 0.247 -59.479 -80.347 1.00 61.32 ? 3 LEU V N 1 +ATOM 22396 C CA . LEU P 16 3 ? 1.062 -59.147 -81.508 1.00 71.04 ? 3 LEU V CA 1 +ATOM 22397 C C . LEU P 16 3 ? 0.404 -59.832 -82.698 1.00 64.54 ? 3 LEU V C 1 +ATOM 22398 O O . LEU P 16 3 ? 0.584 -61.028 -82.916 1.00 70.83 ? 3 LEU V O 1 +ATOM 22399 C CB . LEU P 16 3 ? 2.495 -59.625 -81.300 1.00 57.65 ? 3 LEU V CB 1 +ATOM 22400 C CG . LEU P 16 3 ? 3.564 -59.161 -82.274 1.00 69.24 ? 3 LEU V CG 1 +ATOM 22401 C CD1 . LEU P 16 3 ? 3.824 -57.658 -82.113 1.00 71.97 ? 3 LEU V CD1 1 +ATOM 22402 C CD2 . LEU P 16 3 ? 4.837 -59.972 -82.067 1.00 63.88 ? 3 LEU V CD2 1 +ATOM 22403 N N . THR P 16 4 ? -0.392 -59.092 -83.441 1.00 68.22 ? 4 THR V N 1 +ATOM 22404 C CA . THR P 16 4 ? -1.200 -59.628 -84.520 1.00 66.14 ? 4 THR V CA 1 +ATOM 22405 C C . THR P 16 4 ? -0.547 -59.363 -85.875 1.00 78.92 ? 4 THR V C 1 +ATOM 22406 O O . THR P 16 4 ? 0.370 -58.544 -85.995 1.00 68.94 ? 4 THR V O 1 +ATOM 22407 C CB . THR P 16 4 ? -2.604 -59.012 -84.471 1.00 60.93 ? 4 THR V CB 1 +ATOM 22408 O OG1 . THR P 16 4 ? -2.528 -57.601 -84.704 1.00 67.88 ? 4 THR V OG1 1 +ATOM 22409 C CG2 . THR P 16 4 ? -3.252 -59.278 -83.119 1.00 61.15 ? 4 THR V CG2 1 +ATOM 22410 N N . PRO P 16 5 ? -0.986 -60.066 -86.928 1.00 78.67 ? 5 PRO V N 1 +ATOM 22411 C CA . PRO P 16 5 ? -0.503 -59.735 -88.283 1.00 65.61 ? 5 PRO V CA 1 +ATOM 22412 C C . PRO P 16 5 ? -0.738 -58.289 -88.679 1.00 54.39 ? 5 PRO V C 1 +ATOM 22413 O O . PRO P 16 5 ? 0.077 -57.727 -89.424 1.00 61.74 ? 5 PRO V O 1 +ATOM 22414 C CB . PRO P 16 5 ? -1.291 -60.700 -89.181 1.00 67.83 ? 5 PRO V CB 1 +ATOM 22415 C CG . PRO P 16 5 ? -1.543 -61.888 -88.311 1.00 70.33 ? 5 PRO V CG 1 +ATOM 22416 C CD . PRO P 16 5 ? -1.764 -61.320 -86.909 1.00 65.65 ? 5 PRO V CD 1 +ATOM 22417 N N . GLU P 16 6 ? -1.820 -57.667 -88.201 1.00 66.32 ? 6 GLU V N 1 +ATOM 22418 C CA . GLU P 16 6 ? -2.028 -56.237 -88.437 1.00 71.60 ? 6 GLU V CA 1 +ATOM 22419 C C . GLU P 16 6 ? -0.867 -55.421 -87.891 1.00 69.16 ? 6 GLU V C 1 +ATOM 22420 O O . GLU P 16 6 ? -0.306 -54.576 -88.593 1.00 68.92 ? 6 GLU V O 1 +ATOM 22421 C CB . GLU P 16 6 ? -3.339 -55.765 -87.805 1.00 66.67 ? 6 GLU V CB 1 +ATOM 22422 C CG . GLU P 16 6 ? -4.603 -56.301 -88.464 1.00 101.01 ? 6 GLU V CG 1 +ATOM 22423 C CD . GLU P 16 6 ? -4.863 -57.791 -88.195 1.00 108.73 ? 6 GLU V CD 1 +ATOM 22424 O OE1 . GLU P 16 6 ? -4.133 -58.414 -87.382 1.00 96.98 ? 6 GLU V OE1 1 +ATOM 22425 O OE2 . GLU P 16 6 ? -5.807 -58.341 -88.809 1.00 134.30 ? 6 GLU V OE2 1 +ATOM 22426 N N . VAL P 16 7 ? -0.484 -55.675 -86.638 1.00 60.91 ? 7 VAL V N 1 +ATOM 22427 C CA . VAL P 16 7 ? 0.659 -54.975 -86.052 1.00 71.60 ? 7 VAL V CA 1 +ATOM 22428 C C . VAL P 16 7 ? 1.916 -55.227 -86.871 1.00 65.38 ? 7 VAL V C 1 +ATOM 22429 O O . VAL P 16 7 ? 2.718 -54.314 -87.098 1.00 63.75 ? 7 VAL V O 1 +ATOM 22430 C CB . VAL P 16 7 ? 0.857 -55.394 -84.577 1.00 71.20 ? 7 VAL V CB 1 +ATOM 22431 C CG1 . VAL P 16 7 ? 2.074 -54.694 -83.994 1.00 61.91 ? 7 VAL V CG1 1 +ATOM 22432 C CG2 . VAL P 16 7 ? -0.380 -55.080 -83.766 1.00 61.34 ? 7 VAL V CG2 1 +ATOM 22433 N N . LEU P 16 8 ? 2.109 -56.465 -87.323 1.00 55.99 ? 8 LEU V N 1 +ATOM 22434 C CA . LEU P 16 8 ? 3.326 -56.856 -88.022 1.00 63.59 ? 8 LEU V CA 1 +ATOM 22435 C C . LEU P 16 8 ? 3.330 -56.477 -89.501 1.00 56.77 ? 8 LEU V C 1 +ATOM 22436 O O . LEU P 16 8 ? 4.295 -56.807 -90.196 1.00 59.79 ? 8 LEU V O 1 +ATOM 22437 C CB . LEU P 16 8 ? 3.549 -58.369 -87.871 1.00 69.89 ? 8 LEU V CB 1 +ATOM 22438 C CG . LEU P 16 8 ? 3.805 -58.818 -86.420 1.00 71.15 ? 8 LEU V CG 1 +ATOM 22439 C CD1 . LEU P 16 8 ? 3.629 -60.318 -86.222 1.00 57.18 ? 8 LEU V CD1 1 +ATOM 22440 C CD2 . LEU P 16 8 ? 5.202 -58.377 -85.972 1.00 59.38 ? 8 LEU V CD2 1 +ATOM 22441 N N . THR P 16 9 ? 2.299 -55.791 -89.994 1.00 58.07 ? 9 THR V N 1 +ATOM 22442 C CA . THR P 16 9 ? 2.258 -55.325 -91.379 1.00 65.74 ? 9 THR V CA 1 +ATOM 22443 C C . THR P 16 9 ? 2.825 -53.909 -91.464 1.00 64.38 ? 9 THR V C 1 +ATOM 22444 O O . THR P 16 9 ? 2.319 -52.992 -90.811 1.00 62.12 ? 9 THR V O 1 +ATOM 22445 C CB . THR P 16 9 ? 0.827 -55.346 -91.922 1.00 67.15 ? 9 THR V CB 1 +ATOM 22446 O OG1 . THR P 16 9 ? 0.309 -56.676 -91.878 1.00 64.62 ? 9 THR V OG1 1 +ATOM 22447 C CG2 . THR P 16 9 ? 0.782 -54.811 -93.355 1.00 52.30 ? 9 THR V CG2 1 +ATOM 22448 N N . VAL P 16 10 ? 3.850 -53.727 -92.291 1.00 66.36 ? 10 VAL V N 1 +ATOM 22449 C CA . VAL P 16 10 ? 4.580 -52.459 -92.353 1.00 65.03 ? 10 VAL V CA 1 +ATOM 22450 C C . VAL P 16 10 ? 4.800 -52.099 -93.817 1.00 72.57 ? 10 VAL V C 1 +ATOM 22451 O O . VAL P 16 10 ? 4.710 -52.965 -94.702 1.00 62.36 ? 10 VAL V O 1 +ATOM 22452 C CB . VAL P 16 10 ? 5.932 -52.543 -91.599 1.00 62.43 ? 10 VAL V CB 1 +ATOM 22453 C CG1 . VAL P 16 10 ? 5.705 -52.741 -90.100 1.00 54.18 ? 10 VAL V CG1 1 +ATOM 22454 C CG2 . VAL P 16 10 ? 6.812 -53.670 -92.178 1.00 55.17 ? 10 VAL V CG2 1 +ATOM 22455 N N . PRO P 16 11 ? 5.094 -50.829 -94.109 1.00 64.53 ? 11 PRO V N 1 +ATOM 22456 C CA . PRO P 16 11 ? 5.396 -50.450 -95.501 1.00 53.18 ? 11 PRO V CA 1 +ATOM 22457 C C . PRO P 16 11 ? 6.676 -51.106 -95.998 1.00 63.79 ? 11 PRO V C 1 +ATOM 22458 O O . PRO P 16 11 ? 7.732 -50.996 -95.370 1.00 57.03 ? 11 PRO V O 1 +ATOM 22459 C CB . PRO P 16 11 ? 5.548 -48.925 -95.441 1.00 57.77 ? 11 PRO V CB 1 +ATOM 22460 C CG . PRO P 16 11 ? 4.919 -48.507 -94.126 1.00 57.91 ? 11 PRO V CG 1 +ATOM 22461 C CD . PRO P 16 11 ? 5.073 -49.665 -93.202 1.00 56.40 ? 11 PRO V CD 1 +ATOM 22462 N N . LEU P 16 12 ? 6.577 -51.771 -97.152 1.00 60.44 ? 12 LEU V N 1 +ATOM 22463 C CA . LEU P 16 12 ? 7.762 -52.305 -97.815 1.00 57.80 ? 12 LEU V CA 1 +ATOM 22464 C C . LEU P 16 12 ? 8.531 -51.218 -98.561 1.00 57.85 ? 12 LEU V C 1 +ATOM 22465 O O . LEU P 16 12 ? 9.768 -51.184 -98.510 1.00 60.08 ? 12 LEU V O 1 +ATOM 22466 C CB . LEU P 16 12 ? 7.364 -53.424 -98.778 1.00 63.37 ? 12 LEU V CB 1 +ATOM 22467 C CG . LEU P 16 12 ? 8.469 -54.048 -99.629 1.00 68.81 ? 12 LEU V CG 1 +ATOM 22468 C CD1 . LEU P 16 12 ? 9.497 -54.728 -98.743 1.00 56.02 ? 12 LEU V CD1 1 +ATOM 22469 C CD2 . LEU P 16 12 ? 7.865 -55.043 -100.646 1.00 69.16 ? 12 LEU V CD2 1 +ATOM 22470 N N . ASN P 16 13 ? 7.833 -50.327 -99.260 1.00 55.64 ? 13 ASN V N 1 +ATOM 22471 C CA . ASN P 16 13 ? 8.512 -49.292 -100.028 1.00 69.63 ? 13 ASN V CA 1 +ATOM 22472 C C . ASN P 16 13 ? 7.681 -48.018 -99.984 1.00 71.23 ? 13 ASN V C 1 +ATOM 22473 O O . ASN P 16 13 ? 6.671 -47.936 -99.276 1.00 66.46 ? 13 ASN V O 1 +ATOM 22474 C CB . ASN P 16 13 ? 8.783 -49.753 -101.470 1.00 64.68 ? 13 ASN V CB 1 +ATOM 22475 C CG . ASN P 16 13 ? 7.522 -50.230 -102.193 1.00 70.99 ? 13 ASN V CG 1 +ATOM 22476 O OD1 . ASN P 16 13 ? 6.409 -49.745 -101.949 1.00 67.24 ? 13 ASN V OD1 1 +ATOM 22477 N ND2 . ASN P 16 13 ? 7.697 -51.199 -103.077 1.00 71.27 ? 13 ASN V ND2 1 +ATOM 22478 N N . SER P 16 14 ? 8.103 -47.025 -100.770 1.00 74.60 ? 14 SER V N 1 +ATOM 22479 C CA . SER P 16 14 ? 7.423 -45.736 -100.777 1.00 82.60 ? 14 SER V CA 1 +ATOM 22480 C C . SER P 16 14 ? 6.125 -45.756 -101.571 1.00 85.81 ? 14 SER V C 1 +ATOM 22481 O O . SER P 16 14 ? 5.284 -44.873 -101.377 1.00 83.98 ? 14 SER V O 1 +ATOM 22482 C CB . SER P 16 14 ? 8.341 -44.654 -101.348 1.00 82.87 ? 14 SER V CB 1 +ATOM 22483 O OG . SER P 16 14 ? 9.565 -44.594 -100.638 1.00 95.19 ? 14 SER V OG 1 +ATOM 22484 N N . GLU P 16 15 ? 5.939 -46.733 -102.451 1.00 65.25 ? 15 GLU V N 1 +ATOM 22485 C CA . GLU P 16 15 ? 4.770 -46.743 -103.319 1.00 86.48 ? 15 GLU V CA 1 +ATOM 22486 C C . GLU P 16 15 ? 3.529 -47.304 -102.643 1.00 74.48 ? 15 GLU V C 1 +ATOM 22487 O O . GLU P 16 15 ? 2.491 -47.430 -103.296 1.00 102.96 ? 15 GLU V O 1 +ATOM 22488 C CB . GLU P 16 15 ? 5.076 -47.540 -104.587 1.00 79.92 ? 15 GLU V CB 1 +ATOM 22489 C CG . GLU P 16 15 ? 6.397 -47.151 -105.224 1.00 110.03 ? 15 GLU V CG 1 +ATOM 22490 C CD . GLU P 16 15 ? 6.230 -46.647 -106.643 1.00 155.43 ? 15 GLU V CD 1 +ATOM 22491 O OE1 . GLU P 16 15 ? 6.163 -47.493 -107.565 1.00 160.24 ? 15 GLU V OE1 1 +ATOM 22492 O OE2 . GLU P 16 15 ? 6.154 -45.409 -106.832 1.00 146.24 ? 15 GLU V OE2 1 +ATOM 22493 N N . GLY P 16 16 ? 3.600 -47.648 -101.370 1.00 85.12 ? 16 GLY V N 1 +ATOM 22494 C CA . GLY P 16 16 ? 2.442 -48.150 -100.667 1.00 93.78 ? 16 GLY V CA 1 +ATOM 22495 C C . GLY P 16 16 ? 2.309 -49.656 -100.616 1.00 92.11 ? 16 GLY V C 1 +ATOM 22496 O O . GLY P 16 16 ? 1.287 -50.152 -100.128 1.00 87.29 ? 16 GLY V O 1 +ATOM 22497 N N . LYS P 16 17 ? 3.291 -50.403 -101.108 1.00 64.78 ? 17 LYS V N 1 +ATOM 22498 C CA . LYS P 16 17 ? 3.270 -51.838 -100.887 1.00 65.30 ? 17 LYS V CA 1 +ATOM 22499 C C . LYS P 16 17 ? 3.614 -52.143 -99.430 1.00 66.76 ? 17 LYS V C 1 +ATOM 22500 O O . LYS P 16 17 ? 4.536 -51.556 -98.856 1.00 61.72 ? 17 LYS V O 1 +ATOM 22501 C CB . LYS P 16 17 ? 4.252 -52.532 -101.819 1.00 64.20 ? 17 LYS V CB 1 +ATOM 22502 C CG . LYS P 16 17 ? 3.996 -54.025 -101.955 1.00 91.80 ? 17 LYS V CG 1 +ATOM 22503 C CD . LYS P 16 17 ? 4.741 -54.599 -103.153 1.00 122.86 ? 17 LYS V CD 1 +ATOM 22504 C CE . LYS P 16 17 ? 4.015 -55.816 -103.733 1.00 122.72 ? 17 LYS V CE 1 +ATOM 22505 N NZ . LYS P 16 17 ? 3.464 -56.684 -102.666 1.00 76.14 ? 17 LYS V NZ 1 +ATOM 22506 N N . THR P 16 18 ? 2.860 -53.057 -98.831 1.00 63.15 ? 18 THR V N 1 +ATOM 22507 C CA . THR P 16 18 ? 3.122 -53.533 -97.484 1.00 64.44 ? 18 THR V CA 1 +ATOM 22508 C C . THR P 16 18 ? 3.676 -54.952 -97.517 1.00 74.17 ? 18 THR V C 1 +ATOM 22509 O O . THR P 16 18 ? 3.532 -55.687 -98.498 1.00 74.77 ? 18 THR V O 1 +ATOM 22510 C CB . THR P 16 18 ? 1.853 -53.512 -96.626 1.00 68.81 ? 18 THR V CB 1 +ATOM 22511 O OG1 . THR P 16 18 ? 0.983 -54.585 -97.026 1.00 71.67 ? 18 THR V OG1 1 +ATOM 22512 C CG2 . THR P 16 18 ? 1.125 -52.195 -96.772 1.00 68.32 ? 18 THR V CG2 1 +ATOM 22513 N N . ILE P 16 19 ? 4.305 -55.332 -96.415 1.00 62.40 ? 19 ILE V N 1 +ATOM 22514 C CA . ILE P 16 19 ? 4.758 -56.696 -96.188 1.00 55.93 ? 19 ILE V CA 1 +ATOM 22515 C C . ILE P 16 19 ? 4.408 -57.052 -94.748 1.00 66.22 ? 19 ILE V C 1 +ATOM 22516 O O . ILE P 16 19 ? 4.483 -56.202 -93.854 1.00 64.53 ? 19 ILE V O 1 +ATOM 22517 C CB . ILE P 16 19 ? 6.269 -56.832 -96.467 1.00 66.21 ? 19 ILE V CB 1 +ATOM 22518 C CG1 . ILE P 16 19 ? 6.698 -58.285 -96.435 1.00 65.29 ? 19 ILE V CG1 1 +ATOM 22519 C CG2 . ILE P 16 19 ? 7.099 -56.000 -95.465 1.00 69.84 ? 19 ILE V CG2 1 +ATOM 22520 C CD1 . ILE P 16 19 ? 8.082 -58.503 -96.988 1.00 74.17 ? 19 ILE V CD1 1 +ATOM 22521 N N . THR P 16 20 ? 3.996 -58.292 -94.522 1.00 64.10 ? 20 THR V N 1 +ATOM 22522 C CA . THR P 16 20 ? 3.597 -58.748 -93.201 1.00 58.28 ? 20 THR V CA 1 +ATOM 22523 C C . THR P 16 20 ? 4.683 -59.648 -92.641 1.00 73.89 ? 20 THR V C 1 +ATOM 22524 O O . THR P 16 20 ? 4.967 -60.706 -93.209 1.00 69.22 ? 20 THR V O 1 +ATOM 22525 C CB . THR P 16 20 ? 2.264 -59.490 -93.250 1.00 62.02 ? 20 THR V CB 1 +ATOM 22526 O OG1 . THR P 16 20 ? 1.234 -58.591 -93.670 1.00 65.32 ? 20 THR V OG1 1 +ATOM 22527 C CG2 . THR P 16 20 ? 1.917 -60.047 -91.871 1.00 60.64 ? 20 THR V CG2 1 +ATOM 22528 N N . LEU P 16 21 ? 5.276 -59.236 -91.523 1.00 68.90 ? 21 LEU V N 1 +ATOM 22529 C CA . LEU P 16 21 ? 6.348 -59.995 -90.906 1.00 58.20 ? 21 LEU V CA 1 +ATOM 22530 C C . LEU P 16 21 ? 5.773 -61.116 -90.048 1.00 72.81 ? 21 LEU V C 1 +ATOM 22531 O O . LEU P 16 21 ? 4.621 -61.066 -89.599 1.00 61.44 ? 21 LEU V O 1 +ATOM 22532 C CB . LEU P 16 21 ? 7.230 -59.075 -90.052 1.00 63.05 ? 21 LEU V CB 1 +ATOM 22533 C CG . LEU P 16 21 ? 7.634 -57.786 -90.777 1.00 77.12 ? 21 LEU V CG 1 +ATOM 22534 C CD1 . LEU P 16 21 ? 7.905 -56.671 -89.807 1.00 73.73 ? 21 LEU V CD1 1 +ATOM 22535 C CD2 . LEU P 16 21 ? 8.843 -58.008 -91.660 1.00 77.12 ? 21 LEU V CD2 1 +ATOM 22536 N N . THR P 16 22 ? 6.582 -62.152 -89.844 1.00 59.04 ? 22 THR V N 1 +ATOM 22537 C CA . THR P 16 22 ? 6.218 -63.146 -88.853 1.00 67.94 ? 22 THR V CA 1 +ATOM 22538 C C . THR P 16 22 ? 6.685 -62.689 -87.474 1.00 76.12 ? 22 THR V C 1 +ATOM 22539 O O . THR P 16 22 ? 7.570 -61.833 -87.337 1.00 60.91 ? 22 THR V O 1 +ATOM 22540 C CB . THR P 16 22 ? 6.835 -64.506 -89.178 1.00 68.13 ? 22 THR V CB 1 +ATOM 22541 O OG1 . THR P 16 22 ? 8.260 -64.377 -89.204 1.00 73.24 ? 22 THR V OG1 1 +ATOM 22542 C CG2 . THR P 16 22 ? 6.362 -64.988 -90.545 1.00 70.83 ? 22 THR V CG2 1 +ATOM 22543 N N . GLU P 16 23 ? 6.064 -63.270 -86.447 1.00 60.67 ? 23 GLU V N 1 +ATOM 22544 C CA . GLU P 16 23 ? 6.532 -63.064 -85.080 1.00 72.01 ? 23 GLU V CA 1 +ATOM 22545 C C . GLU P 16 23 ? 8.015 -63.403 -84.956 1.00 75.22 ? 23 GLU V C 1 +ATOM 22546 O O . GLU P 16 23 ? 8.770 -62.706 -84.268 1.00 65.76 ? 23 GLU V O 1 +ATOM 22547 C CB . GLU P 16 23 ? 5.681 -63.900 -84.130 1.00 62.10 ? 23 GLU V CB 1 +ATOM 22548 C CG . GLU P 16 23 ? 5.920 -63.656 -82.637 1.00 96.79 ? 23 GLU V CG 1 +ATOM 22549 C CD . GLU P 16 23 ? 4.727 -64.090 -81.781 1.00 93.38 ? 23 GLU V CD 1 +ATOM 22550 O OE1 . GLU P 16 23 ? 3.598 -64.149 -82.318 1.00 107.63 ? 23 GLU V OE1 1 +ATOM 22551 O OE2 . GLU P 16 23 ? 4.908 -64.366 -80.576 1.00 110.26 ? 23 GLU V OE2 1 +ATOM 22552 N N . LYS P 16 24 ? 8.459 -64.438 -85.671 1.00 65.00 ? 24 LYS V N 1 +ATOM 22553 C CA . LYS P 16 24 ? 9.857 -64.848 -85.606 1.00 75.50 ? 24 LYS V CA 1 +ATOM 22554 C C . LYS P 16 24 ? 10.769 -63.772 -86.179 1.00 77.29 ? 24 LYS V C 1 +ATOM 22555 O O . LYS P 16 24 ? 11.846 -63.506 -85.626 1.00 66.65 ? 24 LYS V O 1 +ATOM 22556 C CB . LYS P 16 24 ? 10.040 -66.190 -86.337 1.00 67.17 ? 24 LYS V CB 1 +ATOM 22557 C CG . LYS P 16 24 ? 11.467 -66.768 -86.343 1.00 86.60 ? 24 LYS V CG 1 +ATOM 22558 C CD . LYS P 16 24 ? 12.181 -66.479 -87.673 1.00 125.62 ? 24 LYS V CD 1 +ATOM 22559 C CE . LYS P 16 24 ? 13.387 -67.402 -87.925 1.00 136.01 ? 24 LYS V CE 1 +ATOM 22560 N NZ . LYS P 16 24 ? 13.901 -67.288 -89.340 1.00 116.56 ? 24 LYS V NZ 1 +ATOM 22561 N N . GLN P 16 25 ? 10.352 -63.138 -87.282 1.00 61.38 ? 25 GLN V N 1 +ATOM 22562 C CA . GLN P 16 25 ? 11.139 -62.046 -87.845 1.00 73.91 ? 25 GLN V CA 1 +ATOM 22563 C C . GLN P 16 25 ? 11.208 -60.868 -86.884 1.00 61.99 ? 25 GLN V C 1 +ATOM 22564 O O . GLN P 16 25 ? 12.280 -60.298 -86.651 1.00 63.08 ? 25 GLN V O 1 +ATOM 22565 C CB . GLN P 16 25 ? 10.541 -61.593 -89.170 1.00 62.84 ? 25 GLN V CB 1 +ATOM 22566 C CG . GLN P 16 25 ? 10.923 -62.418 -90.364 1.00 76.39 ? 25 GLN V CG 1 +ATOM 22567 C CD . GLN P 16 25 ? 10.169 -61.948 -91.579 1.00 74.16 ? 25 GLN V CD 1 +ATOM 22568 O OE1 . GLN P 16 25 ? 8.937 -61.990 -91.608 1.00 69.57 ? 25 GLN V OE1 1 +ATOM 22569 N NE2 . GLN P 16 25 ? 10.896 -61.450 -92.570 1.00 63.30 ? 25 GLN V NE2 1 +ATOM 22570 N N . TYR P 16 26 ? 10.056 -60.461 -86.358 1.00 52.85 ? 26 TYR V N 1 +ATOM 22571 C CA . TYR P 16 26 ? 10.028 -59.383 -85.382 1.00 58.92 ? 26 TYR V CA 1 +ATOM 22572 C C . TYR P 16 26 ? 10.958 -59.677 -84.203 1.00 65.68 ? 26 TYR V C 1 +ATOM 22573 O O . TYR P 16 26 ? 11.792 -58.843 -83.836 1.00 63.59 ? 26 TYR V O 1 +ATOM 22574 C CB . TYR P 16 26 ? 8.598 -59.159 -84.904 1.00 64.51 ? 26 TYR V CB 1 +ATOM 22575 C CG . TYR P 16 26 ? 8.550 -58.251 -83.706 1.00 68.56 ? 26 TYR V CG 1 +ATOM 22576 C CD1 . TYR P 16 26 ? 8.719 -56.874 -83.852 1.00 53.90 ? 26 TYR V CD1 1 +ATOM 22577 C CD2 . TYR P 16 26 ? 8.369 -58.768 -82.426 1.00 60.76 ? 26 TYR V CD2 1 +ATOM 22578 C CE1 . TYR P 16 26 ? 8.695 -56.032 -82.765 1.00 56.02 ? 26 TYR V CE1 1 +ATOM 22579 C CE2 . TYR P 16 26 ? 8.339 -57.933 -81.321 1.00 55.73 ? 26 TYR V CE2 1 +ATOM 22580 C CZ . TYR P 16 26 ? 8.502 -56.565 -81.501 1.00 61.53 ? 26 TYR V CZ 1 +ATOM 22581 O OH . TYR P 16 26 ? 8.482 -55.727 -80.424 1.00 58.12 ? 26 TYR V OH 1 +ATOM 22582 N N . LEU P 16 27 ? 10.843 -60.866 -83.607 1.00 66.22 ? 27 LEU V N 1 +ATOM 22583 C CA . LEU P 16 27 ? 11.691 -61.197 -82.463 1.00 63.99 ? 27 LEU V CA 1 +ATOM 22584 C C . LEU P 16 27 ? 13.163 -61.249 -82.854 1.00 59.31 ? 27 LEU V C 1 +ATOM 22585 O O . LEU P 16 27 ? 14.031 -60.861 -82.065 1.00 60.08 ? 27 LEU V O 1 +ATOM 22586 C CB . LEU P 16 27 ? 11.265 -62.525 -81.849 1.00 57.98 ? 27 LEU V CB 1 +ATOM 22587 C CG . LEU P 16 27 ? 9.893 -62.539 -81.191 1.00 60.85 ? 27 LEU V CG 1 +ATOM 22588 C CD1 . LEU P 16 27 ? 9.623 -63.929 -80.645 1.00 63.24 ? 27 LEU V CD1 1 +ATOM 22589 C CD2 . LEU P 16 27 ? 9.847 -61.514 -80.086 1.00 66.40 ? 27 LEU V CD2 1 +ATOM 22590 N N . GLU P 16 28 ? 13.464 -61.743 -84.058 1.00 55.43 ? 28 GLU V N 1 +ATOM 22591 C CA . GLU P 16 28 ? 14.833 -61.721 -84.566 1.00 54.31 ? 28 GLU V CA 1 +ATOM 22592 C C . GLU P 16 28 ? 15.316 -60.293 -84.792 1.00 62.38 ? 28 GLU V C 1 +ATOM 22593 O O . GLU P 16 28 ? 16.490 -59.981 -84.541 1.00 58.85 ? 28 GLU V O 1 +ATOM 22594 C CB . GLU P 16 28 ? 14.925 -62.510 -85.880 1.00 58.27 ? 28 GLU V CB 1 +ATOM 22595 C CG . GLU P 16 28 ? 15.343 -63.952 -85.706 1.00 76.08 ? 28 GLU V CG 1 +ATOM 22596 C CD . GLU P 16 28 ? 16.797 -64.079 -85.269 1.00 93.56 ? 28 GLU V CD 1 +ATOM 22597 O OE1 . GLU P 16 28 ? 17.699 -63.940 -86.130 1.00 104.44 ? 28 GLU V OE1 1 +ATOM 22598 O OE2 . GLU P 16 28 ? 17.039 -64.308 -84.066 1.00 91.92 ? 28 GLU V OE2 1 +ATOM 22599 N N . GLY P 16 29 ? 14.439 -59.433 -85.321 1.00 54.98 ? 29 GLY V N 1 +ATOM 22600 C CA . GLY P 16 29 ? 14.789 -58.030 -85.475 1.00 56.82 ? 29 GLY V CA 1 +ATOM 22601 C C . GLY P 16 29 ? 15.161 -57.385 -84.152 1.00 52.43 ? 29 GLY V C 1 +ATOM 22602 O O . GLY P 16 29 ? 16.143 -56.648 -84.067 1.00 51.57 ? 29 GLY V O 1 +ATOM 22603 N N . LYS P 16 30 ? 14.417 -57.709 -83.092 1.00 48.22 ? 30 LYS V N 1 +ATOM 22604 C CA . LYS P 16 30 ? 14.704 -57.164 -81.769 1.00 52.01 ? 30 LYS V CA 1 +ATOM 22605 C C . LYS P 16 30 ? 16.082 -57.598 -81.274 1.00 56.52 ? 30 LYS V C 1 +ATOM 22606 O O . LYS P 16 30 ? 16.885 -56.771 -80.827 1.00 61.40 ? 30 LYS V O 1 +ATOM 22607 C CB . LYS P 16 30 ? 13.613 -57.595 -80.796 1.00 52.47 ? 30 LYS V CB 1 +ATOM 22608 C CG . LYS P 16 30 ? 13.699 -56.932 -79.408 1.00 60.82 ? 30 LYS V CG 1 +ATOM 22609 C CD . LYS P 16 30 ? 12.376 -57.065 -78.631 1.00 59.17 ? 30 LYS V CD 1 +ATOM 22610 C CE . LYS P 16 30 ? 12.614 -57.238 -77.149 1.00 70.59 ? 30 LYS V CE 1 +ATOM 22611 N NZ . LYS P 16 30 ? 11.379 -56.996 -76.343 1.00 78.46 ? 30 LYS V NZ 1 +ATOM 22612 N N . ARG P 16 31 ? 16.379 -58.893 -81.367 1.00 52.07 ? 31 ARG V N 1 +ATOM 22613 C CA . ARG P 16 31 ? 17.664 -59.412 -80.910 1.00 61.53 ? 31 ARG V CA 1 +ATOM 22614 C C . ARG P 16 31 ? 18.825 -58.805 -81.693 1.00 57.11 ? 31 ARG V C 1 +ATOM 22615 O O . ARG P 16 31 ? 19.853 -58.445 -81.107 1.00 52.93 ? 31 ARG V O 1 +ATOM 22616 C CB . ARG P 16 31 ? 17.670 -60.946 -81.024 1.00 66.84 ? 31 ARG V CB 1 +ATOM 22617 C CG . ARG P 16 31 ? 18.986 -61.630 -80.628 1.00 69.54 ? 31 ARG V CG 1 +ATOM 22618 C CD . ARG P 16 31 ? 18.990 -63.150 -80.953 1.00 77.87 ? 31 ARG V CD 1 +ATOM 22619 N NE . ARG P 16 31 ? 19.008 -63.449 -82.386 1.00 71.64 ? 31 ARG V NE 1 +ATOM 22620 C CZ . ARG P 16 31 ? 20.097 -63.432 -83.150 1.00 83.99 ? 31 ARG V CZ 1 +ATOM 22621 N NH1 . ARG P 16 31 ? 21.291 -63.120 -82.658 1.00 81.26 ? 31 ARG V NH1 1 +ATOM 22622 N NH2 . ARG P 16 31 ? 19.988 -63.722 -84.444 1.00 73.32 ? 31 ARG V NH2 1 +ATOM 22623 N N . LEU P 16 32 ? 18.682 -58.680 -83.018 1.00 53.44 ? 32 LEU V N 1 +ATOM 22624 C CA . LEU P 16 32 ? 19.759 -58.112 -83.833 1.00 55.17 ? 32 LEU V CA 1 +ATOM 22625 C C . LEU P 16 32 ? 19.895 -56.608 -83.619 1.00 59.80 ? 32 LEU V C 1 +ATOM 22626 O O . LEU P 16 32 ? 21.007 -56.066 -83.652 1.00 53.38 ? 32 LEU V O 1 +ATOM 22627 C CB . LEU P 16 32 ? 19.522 -58.419 -85.308 1.00 52.10 ? 32 LEU V CB 1 +ATOM 22628 C CG . LEU P 16 32 ? 19.625 -59.894 -85.705 1.00 64.69 ? 32 LEU V CG 1 +ATOM 22629 C CD1 . LEU P 16 32 ? 19.153 -60.064 -87.149 1.00 63.41 ? 32 LEU V CD1 1 +ATOM 22630 C CD2 . LEU P 16 32 ? 21.048 -60.394 -85.558 1.00 59.96 ? 32 LEU V CD2 1 +ATOM 22631 N N . PHE P 16 33 ? 18.776 -55.912 -83.426 1.00 44.74 ? 33 PHE V N 1 +ATOM 22632 C CA . PHE P 16 33 ? 18.843 -54.510 -83.052 1.00 44.55 ? 33 PHE V CA 1 +ATOM 22633 C C . PHE P 16 33 ? 19.623 -54.325 -81.744 1.00 56.94 ? 33 PHE V C 1 +ATOM 22634 O O . PHE P 16 33 ? 20.494 -53.450 -81.650 1.00 49.82 ? 33 PHE V O 1 +ATOM 22635 C CB . PHE P 16 33 ? 17.433 -53.941 -82.945 1.00 53.03 ? 33 PHE V CB 1 +ATOM 22636 C CG . PHE P 16 33 ? 17.398 -52.466 -82.626 1.00 58.71 ? 33 PHE V CG 1 +ATOM 22637 C CD1 . PHE P 16 33 ? 17.546 -51.525 -83.625 1.00 57.90 ? 33 PHE V CD1 1 +ATOM 22638 C CD2 . PHE P 16 33 ? 17.236 -52.033 -81.320 1.00 61.02 ? 33 PHE V CD2 1 +ATOM 22639 C CE1 . PHE P 16 33 ? 17.512 -50.179 -83.321 1.00 62.97 ? 33 PHE V CE1 1 +ATOM 22640 C CE2 . PHE P 16 33 ? 17.209 -50.686 -81.010 1.00 59.53 ? 33 PHE V CE2 1 +ATOM 22641 C CZ . PHE P 16 33 ? 17.338 -49.762 -81.996 1.00 50.31 ? 33 PHE V CZ 1 +ATOM 22642 N N . GLN P 16 34 ? 19.329 -55.150 -80.725 1.00 50.82 ? 34 GLN V N 1 +ATOM 22643 C CA . GLN P 16 34 ? 20.100 -55.093 -79.488 1.00 55.73 ? 34 GLN V CA 1 +ATOM 22644 C C . GLN P 16 34 ? 21.568 -55.397 -79.745 1.00 61.46 ? 34 GLN V C 1 +ATOM 22645 O O . GLN P 16 34 ? 22.459 -54.751 -79.182 1.00 56.13 ? 34 GLN V O 1 +ATOM 22646 C CB . GLN P 16 34 ? 19.544 -56.067 -78.454 1.00 50.20 ? 34 GLN V CB 1 +ATOM 22647 C CG . GLN P 16 34 ? 18.168 -55.731 -77.936 1.00 61.52 ? 34 GLN V CG 1 +ATOM 22648 C CD . GLN P 16 34 ? 17.703 -56.734 -76.900 1.00 63.17 ? 34 GLN V CD 1 +ATOM 22649 O OE1 . GLN P 16 34 ? 18.424 -57.671 -76.576 1.00 81.77 ? 34 GLN V OE1 1 +ATOM 22650 N NE2 . GLN P 16 34 ? 16.498 -56.544 -76.373 1.00 62.27 ? 34 GLN V NE2 1 +ATOM 22651 N N . TYR P 16 35 ? 21.841 -56.366 -80.610 1.00 55.93 ? 35 TYR V N 1 +ATOM 22652 C CA . TYR P 16 35 ? 23.224 -56.747 -80.860 1.00 59.78 ? 35 TYR V CA 1 +ATOM 22653 C C . TYR P 16 35 ? 24.009 -55.602 -81.504 1.00 55.60 ? 35 TYR V C 1 +ATOM 22654 O O . TYR P 16 35 ? 25.124 -55.278 -81.081 1.00 52.30 ? 35 TYR V O 1 +ATOM 22655 C CB . TYR P 16 35 ? 23.237 -58.022 -81.714 1.00 57.79 ? 35 TYR V CB 1 +ATOM 22656 C CG . TYR P 16 35 ? 24.489 -58.288 -82.515 1.00 55.30 ? 35 TYR V CG 1 +ATOM 22657 C CD1 . TYR P 16 35 ? 25.616 -58.847 -81.928 1.00 54.74 ? 35 TYR V CD1 1 +ATOM 22658 C CD2 . TYR P 16 35 ? 24.523 -58.026 -83.869 1.00 54.58 ? 35 TYR V CD2 1 +ATOM 22659 C CE1 . TYR P 16 35 ? 26.754 -59.102 -82.670 1.00 57.70 ? 35 TYR V CE1 1 +ATOM 22660 C CE2 . TYR P 16 35 ? 25.659 -58.266 -84.619 1.00 66.52 ? 35 TYR V CE2 1 +ATOM 22661 C CZ . TYR P 16 35 ? 26.771 -58.805 -84.010 1.00 53.48 ? 35 TYR V CZ 1 +ATOM 22662 O OH . TYR P 16 35 ? 27.897 -59.038 -84.762 1.00 65.72 ? 35 TYR V OH 1 +ATOM 22663 N N . ALA P 16 36 ? 23.441 -54.964 -82.512 1.00 52.09 ? 36 ALA V N 1 +ATOM 22664 C CA . ALA P 16 36 ? 24.232 -54.106 -83.367 1.00 54.89 ? 36 ALA V CA 1 +ATOM 22665 C C . ALA P 16 36 ? 23.896 -52.620 -83.268 1.00 56.77 ? 36 ALA V C 1 +ATOM 22666 O O . ALA P 16 36 ? 24.654 -51.806 -83.812 1.00 53.38 ? 36 ALA V O 1 +ATOM 22667 C CB . ALA P 16 36 ? 24.084 -54.554 -84.828 1.00 55.29 ? 36 ALA V CB 1 +ATOM 22668 N N . CYS P 16 37 ? 22.804 -52.235 -82.596 1.00 47.54 ? 37 CYS V N 1 +ATOM 22669 C CA . CYS P 16 37 ? 22.307 -50.866 -82.739 1.00 51.72 ? 37 CYS V CA 1 +ATOM 22670 C C . CYS P 16 37 ? 21.936 -50.214 -81.405 1.00 51.19 ? 37 CYS V C 1 +ATOM 22671 O O . CYS P 16 37 ? 21.975 -48.988 -81.287 1.00 51.12 ? 37 CYS V O 1 +ATOM 22672 C CB . CYS P 16 37 ? 21.077 -50.828 -83.666 1.00 47.31 ? 37 CYS V CB 1 +ATOM 22673 S SG . CYS P 16 37 ? 21.187 -51.814 -85.191 1.00 50.46 ? 37 CYS V SG 1 +ATOM 22674 N N . ALA P 16 38 ? 21.546 -51.012 -80.404 1.00 54.10 ? 38 ALA V N 1 +ATOM 22675 C CA . ALA P 16 38 ? 20.941 -50.438 -79.204 1.00 51.00 ? 38 ALA V CA 1 +ATOM 22676 C C . ALA P 16 38 ? 21.942 -49.674 -78.342 1.00 54.53 ? 38 ALA V C 1 +ATOM 22677 O O . ALA P 16 38 ? 21.527 -48.837 -77.530 1.00 46.92 ? 38 ALA V O 1 +ATOM 22678 C CB . ALA P 16 38 ? 20.260 -51.532 -78.389 1.00 46.79 ? 38 ALA V CB 1 +ATOM 22679 N N . SER P 16 39 ? 23.246 -49.927 -78.508 1.00 44.95 ? 39 SER V N 1 +ATOM 22680 C CA . SER P 16 39 ? 24.232 -49.169 -77.752 1.00 48.45 ? 39 SER V CA 1 +ATOM 22681 C C . SER P 16 39 ? 24.090 -47.677 -78.007 1.00 51.51 ? 39 SER V C 1 +ATOM 22682 O O . SER P 16 39 ? 24.374 -46.870 -77.117 1.00 53.05 ? 39 SER V O 1 +ATOM 22683 C CB . SER P 16 39 ? 25.641 -49.644 -78.095 1.00 42.20 ? 39 SER V CB 1 +ATOM 22684 O OG . SER P 16 39 ? 25.907 -49.453 -79.463 1.00 50.52 ? 39 SER V OG 1 +ATOM 22685 N N . CYS P 16 40 ? 23.651 -47.284 -79.208 1.00 47.00 ? 40 CYS V N 1 +ATOM 22686 C CA . CYS P 16 40 ? 23.319 -45.892 -79.449 1.00 46.87 ? 40 CYS V CA 1 +ATOM 22687 C C . CYS P 16 40 ? 21.823 -45.636 -79.579 1.00 52.58 ? 40 CYS V C 1 +ATOM 22688 O O . CYS P 16 40 ? 21.401 -44.497 -79.396 1.00 49.90 ? 40 CYS V O 1 +ATOM 22689 C CB . CYS P 16 40 ? 24.017 -45.374 -80.713 1.00 46.29 ? 40 CYS V CB 1 +ATOM 22690 S SG . CYS P 16 40 ? 25.811 -45.615 -80.753 1.00 52.98 ? 40 CYS V SG 1 +ATOM 22691 N N . HIS P 16 41 ? 21.005 -46.649 -79.872 1.00 47.57 ? 41 HIS V N 1 +ATOM 22692 C CA . HIS P 16 41 ? 19.628 -46.387 -80.277 1.00 48.23 ? 41 HIS V CA 1 +ATOM 22693 C C . HIS P 16 41 ? 18.585 -46.967 -79.337 1.00 52.04 ? 41 HIS V C 1 +ATOM 22694 O O . HIS P 16 41 ? 17.412 -47.053 -79.729 1.00 49.27 ? 41 HIS V O 1 +ATOM 22695 C CB . HIS P 16 41 ? 19.370 -46.911 -81.699 1.00 51.46 ? 41 HIS V CB 1 +ATOM 22696 C CG . HIS P 16 41 ? 19.964 -46.062 -82.782 1.00 48.64 ? 41 HIS V CG 1 +ATOM 22697 N ND1 . HIS P 16 41 ? 19.660 -44.723 -82.932 1.00 50.63 ? 41 HIS V ND1 1 +ATOM 22698 C CD2 . HIS P 16 41 ? 20.834 -46.364 -83.775 1.00 51.99 ? 41 HIS V CD2 1 +ATOM 22699 C CE1 . HIS P 16 41 ? 20.326 -44.238 -83.965 1.00 52.49 ? 41 HIS V CE1 1 +ATOM 22700 N NE2 . HIS P 16 41 ? 21.027 -45.219 -84.506 1.00 50.59 ? 41 HIS V NE2 1 +ATOM 22701 N N . VAL P 16 42 ? 18.978 -47.376 -78.124 1.00 46.89 ? 42 VAL V N 1 +ATOM 22702 C CA . VAL P 16 42 ? 18.046 -47.968 -77.175 1.00 45.72 ? 42 VAL V CA 1 +ATOM 22703 C C . VAL P 16 42 ? 16.791 -47.112 -77.073 1.00 48.36 ? 42 VAL V C 1 +ATOM 22704 O O . VAL P 16 42 ? 16.865 -45.891 -76.914 1.00 48.02 ? 42 VAL V O 1 +ATOM 22705 C CB . VAL P 16 42 ? 18.728 -48.153 -75.802 1.00 52.01 ? 42 VAL V CB 1 +ATOM 22706 C CG1 . VAL P 16 42 ? 19.443 -46.867 -75.338 1.00 46.56 ? 42 VAL V CG1 1 +ATOM 22707 C CG2 . VAL P 16 42 ? 17.708 -48.570 -74.756 1.00 51.62 ? 42 VAL V CG2 1 +ATOM 22708 N N . GLY P 16 43 ? 15.626 -47.751 -77.176 1.00 50.81 ? 43 GLY V N 1 +ATOM 22709 C CA . GLY P 16 43 ? 14.374 -47.021 -77.051 1.00 46.07 ? 43 GLY V CA 1 +ATOM 22710 C C . GLY P 16 43 ? 13.986 -46.163 -78.240 1.00 51.70 ? 43 GLY V C 1 +ATOM 22711 O O . GLY P 16 43 ? 12.966 -45.472 -78.165 1.00 51.85 ? 43 GLY V O 1 +ATOM 22712 N N . GLY P 16 44 ? 14.756 -46.195 -79.341 1.00 45.29 ? 44 GLY V N 1 +ATOM 22713 C CA . GLY P 16 44 ? 14.472 -45.397 -80.524 1.00 47.61 ? 44 GLY V CA 1 +ATOM 22714 C C . GLY P 16 44 ? 15.054 -43.984 -80.539 1.00 61.99 ? 44 GLY V C 1 +ATOM 22715 O O . GLY P 16 44 ? 14.730 -43.209 -81.452 1.00 53.89 ? 44 GLY V O 1 +ATOM 22716 N N . ILE P 16 45 ? 15.887 -43.612 -79.559 1.00 46.64 ? 45 ILE V N 1 +ATOM 22717 C CA . ILE P 16 45 ? 16.590 -42.326 -79.598 1.00 48.02 ? 45 ILE V CA 1 +ATOM 22718 C C . ILE P 16 45 ? 17.974 -42.550 -80.211 1.00 49.66 ? 45 ILE V C 1 +ATOM 22719 O O . ILE P 16 45 ? 18.266 -43.633 -80.731 1.00 47.70 ? 45 ILE V O 1 +ATOM 22720 C CB . ILE P 16 45 ? 16.680 -41.676 -78.196 1.00 46.99 ? 45 ILE V CB 1 +ATOM 22721 C CG1 . ILE P 16 45 ? 17.284 -42.628 -77.156 1.00 52.73 ? 45 ILE V CG1 1 +ATOM 22722 C CG2 . ILE P 16 45 ? 15.302 -41.273 -77.696 1.00 47.39 ? 45 ILE V CG2 1 +ATOM 22723 C CD1 . ILE P 16 45 ? 18.789 -42.601 -77.025 1.00 57.36 ? 45 ILE V CD1 1 +ATOM 22724 N N . THR P 16 46 ? 18.843 -41.540 -80.148 1.00 48.81 ? 46 THR V N 1 +ATOM 22725 C CA . THR P 16 46 ? 20.212 -41.654 -80.657 1.00 55.91 ? 46 THR V CA 1 +ATOM 22726 C C . THR P 16 46 ? 21.108 -40.954 -79.652 1.00 51.54 ? 46 THR V C 1 +ATOM 22727 O O . THR P 16 46 ? 21.132 -39.719 -79.601 1.00 53.36 ? 46 THR V O 1 +ATOM 22728 C CB . THR P 16 46 ? 20.383 -41.016 -82.038 1.00 51.23 ? 46 THR V CB 1 +ATOM 22729 O OG1 . THR P 16 46 ? 19.427 -41.562 -82.942 1.00 50.60 ? 46 THR V OG1 1 +ATOM 22730 C CG2 . THR P 16 46 ? 21.801 -41.251 -82.555 1.00 42.52 ? 46 THR V CG2 1 +ATOM 22731 N N A LYS P 16 47 ? 21.857 -41.738 -78.878 0.40 51.65 ? 47 LYS V N 1 +ATOM 22732 N N B LYS P 16 47 ? 21.862 -41.733 -78.878 0.60 51.66 ? 47 LYS V N 1 +ATOM 22733 C CA A LYS P 16 47 ? 22.600 -41.177 -77.750 0.40 60.25 ? 47 LYS V CA 1 +ATOM 22734 C CA B LYS P 16 47 ? 22.597 -41.160 -77.750 0.60 60.39 ? 47 LYS V CA 1 +ATOM 22735 C C A LYS P 16 47 ? 23.684 -40.201 -78.202 0.40 52.59 ? 47 LYS V C 1 +ATOM 22736 C C B LYS P 16 47 ? 23.687 -40.199 -78.205 0.60 52.59 ? 47 LYS V C 1 +ATOM 22737 O O A LYS P 16 47 ? 23.923 -39.187 -77.540 0.40 54.71 ? 47 LYS V O 1 +ATOM 22738 O O B LYS P 16 47 ? 23.960 -39.209 -77.522 0.60 54.83 ? 47 LYS V O 1 +ATOM 22739 C CB A LYS P 16 47 ? 23.195 -42.304 -76.906 0.40 57.86 ? 47 LYS V CB 1 +ATOM 22740 C CB B LYS P 16 47 ? 23.201 -42.274 -76.893 0.60 57.90 ? 47 LYS V CB 1 +ATOM 22741 C CG A LYS P 16 47 ? 22.206 -42.899 -75.935 0.40 58.45 ? 47 LYS V CG 1 +ATOM 22742 C CG B LYS P 16 47 ? 22.191 -42.979 -76.013 0.60 58.51 ? 47 LYS V CG 1 +ATOM 22743 C CD A LYS P 16 47 ? 22.808 -44.005 -75.104 0.40 56.48 ? 47 LYS V CD 1 +ATOM 22744 C CD B LYS P 16 47 ? 22.852 -43.980 -75.092 0.60 56.42 ? 47 LYS V CD 1 +ATOM 22745 C CE A LYS P 16 47 ? 21.842 -44.405 -73.980 0.40 58.56 ? 47 LYS V CE 1 +ATOM 22746 C CE B LYS P 16 47 ? 21.890 -44.376 -73.971 0.60 58.52 ? 47 LYS V CE 1 +ATOM 22747 N NZ A LYS P 16 47 ? 22.424 -45.445 -73.064 0.40 64.12 ? 47 LYS V NZ 1 +ATOM 22748 N NZ B LYS P 16 47 ? 22.427 -45.456 -73.071 0.60 64.21 ? 47 LYS V NZ 1 +ATOM 22749 N N . THR P 16 48 ? 24.319 -40.464 -79.342 1.00 52.59 ? 48 THR V N 1 +ATOM 22750 C CA . THR P 16 48 ? 25.395 -39.602 -79.824 1.00 46.65 ? 48 THR V CA 1 +ATOM 22751 C C . THR P 16 48 ? 24.885 -38.447 -80.672 1.00 49.95 ? 48 THR V C 1 +ATOM 22752 O O . THR P 16 48 ? 25.686 -37.621 -81.111 1.00 51.98 ? 48 THR V O 1 +ATOM 22753 C CB . THR P 16 48 ? 26.413 -40.416 -80.633 1.00 57.66 ? 48 THR V CB 1 +ATOM 22754 O OG1 . THR P 16 48 ? 25.737 -41.117 -81.688 1.00 53.44 ? 48 THR V OG1 1 +ATOM 22755 C CG2 . THR P 16 48 ? 27.124 -41.421 -79.750 1.00 49.86 ? 48 THR V CG2 1 +ATOM 22756 N N . ASN P 16 49 ? 23.593 -38.375 -80.929 1.00 44.23 ? 49 ASN V N 1 +ATOM 22757 C CA . ASN P 16 49 ? 23.021 -37.222 -81.605 1.00 45.31 ? 49 ASN V CA 1 +ATOM 22758 C C . ASN P 16 49 ? 21.520 -37.213 -81.352 1.00 56.47 ? 49 ASN V C 1 +ATOM 22759 O O . ASN P 16 49 ? 20.740 -37.695 -82.196 1.00 54.70 ? 49 ASN V O 1 +ATOM 22760 C CB . ASN P 16 49 ? 23.294 -37.237 -83.113 1.00 43.45 ? 49 ASN V CB 1 +ATOM 22761 C CG . ASN P 16 49 ? 22.852 -35.942 -83.780 1.00 56.93 ? 49 ASN V CG 1 +ATOM 22762 O OD1 . ASN P 16 49 ? 22.114 -35.146 -83.180 1.00 49.72 ? 49 ASN V OD1 1 +ATOM 22763 N ND2 . ASN P 16 49 ? 23.302 -35.718 -85.005 1.00 48.62 ? 49 ASN V ND2 1 +ATOM 22764 N N A PRO P 16 50 ? 21.070 -36.674 -80.215 0.40 52.25 ? 50 PRO V N 1 +ATOM 22765 N N B PRO P 16 50 ? 21.082 -36.680 -80.207 0.60 52.39 ? 50 PRO V N 1 +ATOM 22766 C CA A PRO P 16 50 ? 19.659 -36.824 -79.834 0.40 48.40 ? 50 PRO V CA 1 +ATOM 22767 C CA B PRO P 16 50 ? 19.675 -36.823 -79.814 0.60 48.43 ? 50 PRO V CA 1 +ATOM 22768 C C A PRO P 16 50 ? 18.696 -36.071 -80.710 0.40 47.61 ? 50 PRO V C 1 +ATOM 22769 C C B PRO P 16 50 ? 18.702 -36.072 -80.684 0.60 47.53 ? 50 PRO V C 1 +ATOM 22770 O O A PRO P 16 50 ? 17.489 -36.301 -80.581 0.40 51.19 ? 50 PRO V O 1 +ATOM 22771 O O B PRO P 16 50 ? 17.496 -36.317 -80.548 0.60 51.17 ? 50 PRO V O 1 +ATOM 22772 C CB A PRO P 16 50 ? 19.628 -36.289 -78.395 0.40 44.71 ? 50 PRO V CB 1 +ATOM 22773 C CB B PRO P 16 50 ? 19.662 -36.285 -78.380 0.60 44.63 ? 50 PRO V CB 1 +ATOM 22774 C CG A PRO P 16 50 ? 21.018 -36.543 -77.906 0.40 46.64 ? 50 PRO V CG 1 +ATOM 22775 C CG B PRO P 16 50 ? 21.036 -36.556 -77.898 0.60 46.58 ? 50 PRO V CG 1 +ATOM 22776 C CD A PRO P 16 50 ? 21.888 -36.212 -79.079 0.40 47.81 ? 50 PRO V CD 1 +ATOM 22777 C CD B PRO P 16 50 ? 21.915 -36.254 -79.072 0.60 47.79 ? 50 PRO V CD 1 +ATOM 22778 N N . SER P 16 51 ? 19.170 -35.172 -81.565 1.00 51.81 ? 51 SER V N 1 +ATOM 22779 C CA . SER P 16 51 ? 18.267 -34.461 -82.454 1.00 49.48 ? 51 SER V CA 1 +ATOM 22780 C C . SER P 16 51 ? 17.566 -35.398 -83.434 1.00 52.81 ? 51 SER V C 1 +ATOM 22781 O O . SER P 16 51 ? 16.467 -35.073 -83.890 1.00 55.98 ? 51 SER V O 1 +ATOM 22782 C CB . SER P 16 51 ? 19.032 -33.377 -83.215 1.00 51.82 ? 51 SER V CB 1 +ATOM 22783 O OG . SER P 16 51 ? 19.628 -32.438 -82.341 1.00 53.44 ? 51 SER V OG 1 +ATOM 22784 N N . LEU P 16 52 ? 18.154 -36.557 -83.741 1.00 52.04 ? 52 LEU V N 1 +ATOM 22785 C CA . LEU P 16 52 ? 17.595 -37.515 -84.693 1.00 54.04 ? 52 LEU V CA 1 +ATOM 22786 C C . LEU P 16 52 ? 17.204 -38.798 -83.967 1.00 58.11 ? 52 LEU V C 1 +ATOM 22787 O O . LEU P 16 52 ? 18.038 -39.429 -83.306 1.00 60.99 ? 52 LEU V O 1 +ATOM 22788 C CB . LEU P 16 52 ? 18.590 -37.827 -85.813 1.00 58.87 ? 52 LEU V CB 1 +ATOM 22789 C CG . LEU P 16 52 ? 18.924 -36.661 -86.750 1.00 60.95 ? 52 LEU V CG 1 +ATOM 22790 C CD1 . LEU P 16 52 ? 20.061 -37.022 -87.667 1.00 68.97 ? 52 LEU V CD1 1 +ATOM 22791 C CD2 . LEU P 16 52 ? 17.699 -36.274 -87.558 1.00 60.12 ? 52 LEU V CD2 1 +ATOM 22792 N N . ASP P 16 53 ? 15.945 -39.178 -84.089 1.00 50.56 ? 53 ASP V N 1 +ATOM 22793 C CA . ASP P 16 53 ? 15.442 -40.382 -83.446 1.00 57.75 ? 53 ASP V CA 1 +ATOM 22794 C C . ASP P 16 53 ? 14.978 -41.378 -84.517 1.00 54.86 ? 53 ASP V C 1 +ATOM 22795 O O . ASP P 16 53 ? 15.136 -41.150 -85.726 1.00 56.15 ? 53 ASP V O 1 +ATOM 22796 C CB . ASP P 16 53 ? 14.334 -40.012 -82.448 1.00 47.47 ? 53 ASP V CB 1 +ATOM 22797 C CG . ASP P 16 53 ? 13.167 -39.300 -83.103 1.00 48.57 ? 53 ASP V CG 1 +ATOM 22798 O OD1 . ASP P 16 53 ? 12.910 -39.539 -84.299 1.00 53.28 ? 53 ASP V OD1 1 +ATOM 22799 O OD2 . ASP P 16 53 ? 12.490 -38.515 -82.427 1.00 50.78 ? 53 ASP V OD2 1 +ATOM 22800 N N . LEU P 16 54 ? 14.402 -42.496 -84.078 1.00 53.87 ? 54 LEU V N 1 +ATOM 22801 C CA . LEU P 16 54 ? 13.916 -43.524 -84.992 1.00 53.85 ? 54 LEU V CA 1 +ATOM 22802 C C . LEU P 16 54 ? 12.395 -43.580 -85.043 1.00 50.02 ? 54 LEU V C 1 +ATOM 22803 O O . LEU P 16 54 ? 11.832 -44.623 -85.386 1.00 56.30 ? 54 LEU V O 1 +ATOM 22804 C CB . LEU P 16 54 ? 14.470 -44.897 -84.609 1.00 50.41 ? 54 LEU V CB 1 +ATOM 22805 C CG . LEU P 16 54 ? 15.981 -45.063 -84.549 1.00 57.18 ? 54 LEU V CG 1 +ATOM 22806 C CD1 . LEU P 16 54 ? 16.331 -46.517 -84.237 1.00 55.26 ? 54 LEU V CD1 1 +ATOM 22807 C CD2 . LEU P 16 54 ? 16.630 -44.621 -85.827 1.00 54.35 ? 54 LEU V CD2 1 +ATOM 22808 N N . ARG P 16 55 ? 11.721 -42.493 -84.680 1.00 48.56 ? 55 ARG V N 1 +ATOM 22809 C CA . ARG P 16 55 ? 10.278 -42.424 -84.842 1.00 49.97 ? 55 ARG V CA 1 +ATOM 22810 C C . ARG P 16 55 ? 9.912 -42.448 -86.322 1.00 54.59 ? 55 ARG V C 1 +ATOM 22811 O O . ARG P 16 55 ? 10.630 -41.905 -87.172 1.00 51.95 ? 55 ARG V O 1 +ATOM 22812 C CB . ARG P 16 55 ? 9.722 -41.162 -84.190 1.00 49.89 ? 55 ARG V CB 1 +ATOM 22813 C CG . ARG P 16 55 ? 9.771 -41.181 -82.693 1.00 58.60 ? 55 ARG V CG 1 +ATOM 22814 C CD . ARG P 16 55 ? 9.214 -39.875 -82.093 1.00 59.92 ? 55 ARG V CD 1 +ATOM 22815 N NE . ARG P 16 55 ? 8.724 -40.139 -80.740 1.00 94.61 ? 55 ARG V NE 1 +ATOM 22816 C CZ . ARG P 16 55 ? 8.400 -39.214 -79.843 1.00 93.18 ? 55 ARG V CZ 1 +ATOM 22817 N NH1 . ARG P 16 55 ? 8.499 -37.916 -80.114 1.00 85.15 ? 55 ARG V NH1 1 +ATOM 22818 N NH2 . ARG P 16 55 ? 7.969 -39.600 -78.642 1.00 64.85 ? 55 ARG V NH2 1 +ATOM 22819 N N . THR P 16 56 ? 8.785 -43.097 -86.625 1.00 49.19 ? 56 THR V N 1 +ATOM 22820 C CA . THR P 16 56 ? 8.359 -43.228 -88.012 1.00 61.66 ? 56 THR V CA 1 +ATOM 22821 C C . THR P 16 56 ? 8.130 -41.861 -88.651 1.00 65.70 ? 56 THR V C 1 +ATOM 22822 O O . THR P 16 56 ? 8.493 -41.644 -89.813 1.00 57.19 ? 56 THR V O 1 +ATOM 22823 C CB . THR P 16 56 ? 7.109 -44.104 -88.071 1.00 58.89 ? 56 THR V CB 1 +ATOM 22824 O OG1 . THR P 16 56 ? 7.399 -45.351 -87.417 1.00 61.60 ? 56 THR V OG1 1 +ATOM 22825 C CG2 . THR P 16 56 ? 6.727 -44.410 -89.521 1.00 53.97 ? 56 THR V CG2 1 +ATOM 22826 N N . GLU P 16 57 ? 7.566 -40.913 -87.894 1.00 58.29 ? 57 GLU V N 1 +ATOM 22827 C CA . GLU P 16 57 ? 7.379 -39.561 -88.417 1.00 55.03 ? 57 GLU V CA 1 +ATOM 22828 C C . GLU P 16 57 ? 8.718 -38.923 -88.779 1.00 60.19 ? 57 GLU V C 1 +ATOM 22829 O O . GLU P 16 57 ? 8.832 -38.250 -89.809 1.00 58.00 ? 57 GLU V O 1 +ATOM 22830 C CB . GLU P 16 57 ? 6.634 -38.707 -87.392 1.00 57.04 ? 57 GLU V CB 1 +ATOM 22831 C CG . GLU P 16 57 ? 5.295 -39.294 -86.906 1.00 86.99 ? 57 GLU V CG 1 +ATOM 22832 C CD . GLU P 16 57 ? 5.426 -40.428 -85.864 1.00 83.12 ? 57 GLU V CD 1 +ATOM 22833 O OE1 . GLU P 16 57 ? 6.564 -40.807 -85.490 1.00 66.37 ? 57 GLU V OE1 1 +ATOM 22834 O OE2 . GLU P 16 57 ? 4.368 -40.942 -85.423 1.00 87.04 ? 57 GLU V OE2 1 +ATOM 22835 N N . THR P 16 58 ? 9.753 -39.140 -87.961 1.00 54.28 ? 58 THR V N 1 +ATOM 22836 C CA . THR P 16 58 ? 11.073 -38.616 -88.306 1.00 55.94 ? 58 THR V CA 1 +ATOM 22837 C C . THR P 16 58 ? 11.641 -39.312 -89.535 1.00 59.81 ? 58 THR V C 1 +ATOM 22838 O O . THR P 16 58 ? 12.332 -38.686 -90.351 1.00 58.47 ? 58 THR V O 1 +ATOM 22839 C CB . THR P 16 58 ? 12.040 -38.783 -87.135 1.00 56.93 ? 58 THR V CB 1 +ATOM 22840 O OG1 . THR P 16 58 ? 11.447 -38.255 -85.938 1.00 53.09 ? 58 THR V OG1 1 +ATOM 22841 C CG2 . THR P 16 58 ? 13.375 -38.075 -87.414 1.00 48.22 ? 58 THR V CG2 1 +ATOM 22842 N N . LEU P 16 59 ? 11.381 -40.615 -89.670 1.00 49.72 ? 59 LEU V N 1 +ATOM 22843 C CA . LEU P 16 59 ? 11.961 -41.369 -90.773 1.00 54.89 ? 59 LEU V CA 1 +ATOM 22844 C C . LEU P 16 59 ? 11.285 -41.002 -92.088 1.00 59.64 ? 59 LEU V C 1 +ATOM 22845 O O . LEU P 16 59 ? 11.947 -40.939 -93.130 1.00 55.14 ? 59 LEU V O 1 +ATOM 22846 C CB . LEU P 16 59 ? 11.855 -42.877 -90.492 1.00 58.76 ? 59 LEU V CB 1 +ATOM 22847 C CG . LEU P 16 59 ? 12.711 -43.461 -89.346 1.00 54.47 ? 59 LEU V CG 1 +ATOM 22848 C CD1 . LEU P 16 59 ? 12.322 -44.894 -89.029 1.00 52.49 ? 59 LEU V CD1 1 +ATOM 22849 C CD2 . LEU P 16 59 ? 14.196 -43.404 -89.664 1.00 54.11 ? 59 LEU V CD2 1 +ATOM 22850 N N . ALA P 16 60 ? 9.969 -40.744 -92.045 1.00 47.65 ? 60 ALA V N 1 +ATOM 22851 C CA . ALA P 16 60 ? 9.223 -40.293 -93.218 1.00 55.85 ? 60 ALA V CA 1 +ATOM 22852 C C . ALA P 16 60 ? 9.818 -39.028 -93.841 1.00 54.42 ? 60 ALA V C 1 +ATOM 22853 O O . ALA P 16 60 ? 9.795 -38.869 -95.063 1.00 62.48 ? 60 ALA V O 1 +ATOM 22854 C CB . ALA P 16 60 ? 7.762 -40.049 -92.839 1.00 52.78 ? 60 ALA V CB 1 +ATOM 22855 N N . LEU P 16 61 ? 10.327 -38.102 -93.025 1.00 57.50 ? 61 LEU V N 1 +ATOM 22856 C CA . LEU P 16 61 ? 10.819 -36.826 -93.540 1.00 56.33 ? 61 LEU V CA 1 +ATOM 22857 C C . LEU P 16 61 ? 12.315 -36.831 -93.783 1.00 60.52 ? 61 LEU V C 1 +ATOM 22858 O O . LEU P 16 61 ? 12.870 -35.801 -94.160 1.00 55.32 ? 61 LEU V O 1 +ATOM 22859 C CB . LEU P 16 61 ? 10.455 -35.687 -92.588 1.00 59.72 ? 61 LEU V CB 1 +ATOM 22860 C CG . LEU P 16 61 ? 8.962 -35.416 -92.399 1.00 67.09 ? 61 LEU V CG 1 +ATOM 22861 C CD1 . LEU P 16 61 ? 8.757 -34.435 -91.282 1.00 66.65 ? 61 LEU V CD1 1 +ATOM 22862 C CD2 . LEU P 16 61 ? 8.394 -34.860 -93.682 1.00 68.31 ? 61 LEU V CD2 1 +ATOM 22863 N N . ALA P 16 62 ? 12.983 -37.960 -93.561 1.00 54.08 ? 62 ALA V N 1 +ATOM 22864 C CA . ALA P 16 62 ? 14.343 -38.108 -94.048 1.00 55.56 ? 62 ALA V CA 1 +ATOM 22865 C C . ALA P 16 62 ? 14.357 -38.062 -95.577 1.00 61.78 ? 62 ALA V C 1 +ATOM 22866 O O . ALA P 16 62 ? 13.333 -38.257 -96.240 1.00 57.39 ? 62 ALA V O 1 +ATOM 22867 C CB . ALA P 16 62 ? 14.941 -39.420 -93.540 1.00 50.81 ? 62 ALA V CB 1 +ATOM 22868 N N . THR P 16 63 ? 15.540 -37.802 -96.137 1.00 56.65 ? 63 THR V N 1 +ATOM 22869 C CA . THR P 16 63 ? 15.775 -37.841 -97.582 1.00 49.49 ? 63 THR V CA 1 +ATOM 22870 C C . THR P 16 63 ? 16.863 -38.860 -97.891 1.00 60.32 ? 63 THR V C 1 +ATOM 22871 O O . THR P 16 63 ? 17.993 -38.715 -97.393 1.00 61.83 ? 63 THR V O 1 +ATOM 22872 C CB . THR P 16 63 ? 16.194 -36.471 -98.123 1.00 59.71 ? 63 THR V CB 1 +ATOM 22873 O OG1 . THR P 16 63 ? 15.172 -35.508 -97.855 1.00 61.87 ? 63 THR V OG1 1 +ATOM 22874 C CG2 . THR P 16 63 ? 16.448 -36.532 -99.627 1.00 50.45 ? 63 THR V CG2 1 +ATOM 22875 N N . PRO P 16 64 ? 16.592 -39.914 -98.684 1.00 58.74 ? 64 PRO V N 1 +ATOM 22876 C CA . PRO P 16 64 ? 15.271 -40.339 -99.160 1.00 54.07 ? 64 PRO V CA 1 +ATOM 22877 C C . PRO P 16 64 ? 14.450 -40.856 -97.979 1.00 59.25 ? 64 PRO V C 1 +ATOM 22878 O O . PRO P 16 64 ? 15.026 -41.074 -96.918 1.00 58.74 ? 64 PRO V O 1 +ATOM 22879 C CB . PRO P 16 64 ? 15.593 -41.457 -100.144 1.00 56.17 ? 64 PRO V CB 1 +ATOM 22880 C CG . PRO P 16 64 ? 16.893 -41.998 -99.674 1.00 64.15 ? 64 PRO V CG 1 +ATOM 22881 C CD . PRO P 16 64 ? 17.659 -40.802 -99.163 1.00 53.13 ? 64 PRO V CD 1 +ATOM 22882 N N . PRO P 16 65 ? 13.145 -41.037 -98.151 1.00 60.86 ? 65 PRO V N 1 +ATOM 22883 C CA . PRO P 16 65 ? 12.318 -41.494 -97.024 1.00 62.24 ? 65 PRO V CA 1 +ATOM 22884 C C . PRO P 16 65 ? 12.807 -42.822 -96.451 1.00 65.48 ? 65 PRO V C 1 +ATOM 22885 O O . PRO P 16 65 ? 13.185 -43.739 -97.183 1.00 58.80 ? 65 PRO V O 1 +ATOM 22886 C CB . PRO P 16 65 ? 10.925 -41.631 -97.645 1.00 56.65 ? 65 PRO V CB 1 +ATOM 22887 C CG . PRO P 16 65 ? 10.947 -40.744 -98.835 1.00 58.74 ? 65 PRO V CG 1 +ATOM 22888 C CD . PRO P 16 65 ? 12.343 -40.748 -99.350 1.00 56.61 ? 65 PRO V CD 1 +ATOM 22889 N N . ARG P 16 66 ? 12.783 -42.927 -95.121 1.00 56.56 ? 66 ARG V N 1 +ATOM 22890 C CA . ARG P 16 66 ? 13.245 -44.136 -94.448 1.00 53.21 ? 66 ARG V CA 1 +ATOM 22891 C C . ARG P 16 66 ? 12.137 -44.822 -93.659 1.00 54.89 ? 66 ARG V C 1 +ATOM 22892 O O . ARG P 16 66 ? 12.421 -45.758 -92.910 1.00 53.96 ? 66 ARG V O 1 +ATOM 22893 C CB . ARG P 16 66 ? 14.428 -43.813 -93.529 1.00 58.87 ? 66 ARG V CB 1 +ATOM 22894 C CG . ARG P 16 66 ? 15.568 -43.019 -94.165 1.00 55.29 ? 66 ARG V CG 1 +ATOM 22895 C CD . ARG P 16 66 ? 16.264 -43.789 -95.276 1.00 58.32 ? 66 ARG V CD 1 +ATOM 22896 N NE . ARG P 16 66 ? 17.526 -43.156 -95.658 1.00 64.47 ? 66 ARG V NE 1 +ATOM 22897 C CZ . ARG P 16 66 ? 18.380 -43.657 -96.546 1.00 65.66 ? 66 ARG V CZ 1 +ATOM 22898 N NH1 . ARG P 16 66 ? 18.126 -44.785 -97.190 1.00 54.37 ? 66 ARG V NH1 1 +ATOM 22899 N NH2 . ARG P 16 66 ? 19.523 -43.017 -96.783 1.00 53.37 ? 66 ARG V NH2 1 +ATOM 22900 N N . ASP P 16 67 ? 10.884 -44.398 -93.811 1.00 51.89 ? 67 ASP V N 1 +ATOM 22901 C CA . ASP P 16 67 ? 9.770 -45.017 -93.089 1.00 56.78 ? 67 ASP V CA 1 +ATOM 22902 C C . ASP P 16 67 ? 9.230 -46.277 -93.770 1.00 66.77 ? 67 ASP V C 1 +ATOM 22903 O O . ASP P 16 67 ? 8.016 -46.513 -93.766 1.00 58.68 ? 67 ASP V O 1 +ATOM 22904 C CB . ASP P 16 67 ? 8.658 -43.989 -92.926 1.00 58.01 ? 67 ASP V CB 1 +ATOM 22905 C CG . ASP P 16 67 ? 8.163 -43.480 -94.257 1.00 53.83 ? 67 ASP V CG 1 +ATOM 22906 O OD1 . ASP P 16 67 ? 8.932 -43.553 -95.233 1.00 66.36 ? 67 ASP V OD1 1 +ATOM 22907 O OD2 . ASP P 16 67 ? 7.010 -43.018 -94.339 1.00 67.10 ? 67 ASP V OD2 1 +ATOM 22908 N N . ASN P 16 68 ? 10.093 -47.085 -94.376 1.00 49.66 ? 68 ASN V N 1 +ATOM 22909 C CA . ASN P 16 68 ? 9.656 -48.309 -95.027 1.00 53.54 ? 68 ASN V CA 1 +ATOM 22910 C C . ASN P 16 68 ? 10.870 -49.226 -95.117 1.00 62.51 ? 68 ASN V C 1 +ATOM 22911 O O . ASN P 16 68 ? 12.013 -48.781 -94.964 1.00 56.66 ? 68 ASN V O 1 +ATOM 22912 C CB . ASN P 16 68 ? 9.031 -48.036 -96.410 1.00 49.18 ? 68 ASN V CB 1 +ATOM 22913 C CG . ASN P 16 68 ? 9.968 -47.300 -97.328 1.00 57.46 ? 68 ASN V CG 1 +ATOM 22914 O OD1 . ASN P 16 68 ? 10.960 -47.852 -97.797 1.00 58.61 ? 68 ASN V OD1 1 +ATOM 22915 N ND2 . ASN P 16 68 ? 9.673 -46.027 -97.572 1.00 65.21 ? 68 ASN V ND2 1 +ATOM 22916 N N . ILE P 16 69 ? 10.608 -50.504 -95.417 1.00 51.42 ? 69 ILE V N 1 +ATOM 22917 C CA . ILE P 16 69 ? 11.648 -51.532 -95.345 1.00 54.04 ? 69 ILE V CA 1 +ATOM 22918 C C . ILE P 16 69 ? 12.820 -51.188 -96.257 1.00 51.65 ? 69 ILE V C 1 +ATOM 22919 O O . ILE P 16 69 ? 13.983 -51.259 -95.843 1.00 55.90 ? 69 ILE V O 1 +ATOM 22920 C CB . ILE P 16 69 ? 11.071 -52.921 -95.687 1.00 58.31 ? 69 ILE V CB 1 +ATOM 22921 C CG1 . ILE P 16 69 ? 10.075 -53.387 -94.618 1.00 53.33 ? 69 ILE V CG1 1 +ATOM 22922 C CG2 . ILE P 16 69 ? 12.207 -53.916 -95.928 1.00 51.84 ? 69 ILE V CG2 1 +ATOM 22923 C CD1 . ILE P 16 69 ? 10.690 -53.642 -93.240 1.00 62.65 ? 69 ILE V CD1 1 +ATOM 22924 N N . GLU P 16 70 ? 12.530 -50.849 -97.523 1.00 50.43 ? 70 GLU V N 1 +ATOM 22925 C CA . GLU P 16 70 ? 13.587 -50.633 -98.510 1.00 52.46 ? 70 GLU V CA 1 +ATOM 22926 C C . GLU P 16 70 ? 14.460 -49.451 -98.126 1.00 62.91 ? 70 GLU V C 1 +ATOM 22927 O O . GLU P 16 70 ? 15.693 -49.518 -98.234 1.00 55.16 ? 70 GLU V O 1 +ATOM 22928 C CB . GLU P 16 70 ? 12.987 -50.413 -99.908 1.00 62.53 ? 70 GLU V CB 1 +ATOM 22929 C CG . GLU P 16 70 ? 12.318 -51.650 -100.567 1.00 60.50 ? 70 GLU V CG 1 +ATOM 22930 C CD . GLU P 16 70 ? 13.289 -52.789 -100.832 1.00 63.03 ? 70 GLU V CD 1 +ATOM 22931 O OE1 . GLU P 16 70 ? 14.482 -52.510 -101.049 1.00 66.16 ? 70 GLU V OE1 1 +ATOM 22932 O OE2 . GLU P 16 70 ? 12.866 -53.974 -100.795 1.00 65.08 ? 70 GLU V OE2 1 +ATOM 22933 N N . GLY P 16 71 ? 13.835 -48.356 -97.673 1.00 53.98 ? 71 GLY V N 1 +ATOM 22934 C CA . GLY P 16 71 ? 14.607 -47.220 -97.199 1.00 53.68 ? 71 GLY V CA 1 +ATOM 22935 C C . GLY P 16 71 ? 15.512 -47.564 -96.026 1.00 59.18 ? 71 GLY V C 1 +ATOM 22936 O O . GLY P 16 71 ? 16.662 -47.120 -95.965 1.00 56.49 ? 71 GLY V O 1 +ATOM 22937 N N . LEU P 16 72 ? 15.017 -48.385 -95.095 1.00 47.91 ? 72 LEU V N 1 +ATOM 22938 C CA . LEU P 16 72 ? 15.813 -48.730 -93.922 1.00 54.58 ? 72 LEU V CA 1 +ATOM 22939 C C . LEU P 16 72 ? 16.940 -49.687 -94.269 1.00 55.08 ? 72 LEU V C 1 +ATOM 22940 O O . LEU P 16 72 ? 18.049 -49.556 -93.737 1.00 54.96 ? 72 LEU V O 1 +ATOM 22941 C CB . LEU P 16 72 ? 14.925 -49.336 -92.842 1.00 51.12 ? 72 LEU V CB 1 +ATOM 22942 C CG . LEU P 16 72 ? 14.164 -48.313 -92.012 1.00 54.39 ? 72 LEU V CG 1 +ATOM 22943 C CD1 . LEU P 16 72 ? 13.224 -48.981 -91.008 1.00 50.92 ? 72 LEU V CD1 1 +ATOM 22944 C CD2 . LEU P 16 72 ? 15.172 -47.440 -91.333 1.00 53.26 ? 72 LEU V CD2 1 +ATOM 22945 N N . VAL P 16 73 ? 16.663 -50.669 -95.142 1.00 55.94 ? 73 VAL V N 1 +ATOM 22946 C CA . VAL P 16 73 ? 17.686 -51.606 -95.611 1.00 48.91 ? 73 VAL V CA 1 +ATOM 22947 C C . VAL P 16 73 ? 18.761 -50.874 -96.412 1.00 56.23 ? 73 VAL V C 1 +ATOM 22948 O O . VAL P 16 73 ? 19.956 -51.165 -96.296 1.00 57.63 ? 73 VAL V O 1 +ATOM 22949 C CB . VAL P 16 73 ? 17.030 -52.737 -96.436 1.00 60.62 ? 73 VAL V CB 1 +ATOM 22950 C CG1 . VAL P 16 73 ? 18.077 -53.553 -97.188 1.00 54.91 ? 73 VAL V CG1 1 +ATOM 22951 C CG2 . VAL P 16 73 ? 16.188 -53.670 -95.540 1.00 53.65 ? 73 VAL V CG2 1 +ATOM 22952 N N . ASP P 16 74 ? 18.361 -49.904 -97.232 1.00 52.08 ? 74 ASP V N 1 +ATOM 22953 C CA . ASP P 16 74 ? 19.347 -49.088 -97.924 1.00 56.19 ? 74 ASP V CA 1 +ATOM 22954 C C . ASP P 16 74 ? 20.187 -48.275 -96.933 1.00 60.27 ? 74 ASP V C 1 +ATOM 22955 O O . ASP P 16 74 ? 21.412 -48.154 -97.092 1.00 54.04 ? 74 ASP V O 1 +ATOM 22956 C CB . ASP P 16 74 ? 18.640 -48.189 -98.935 1.00 56.56 ? 74 ASP V CB 1 +ATOM 22957 C CG . ASP P 16 74 ? 19.583 -47.194 -99.589 1.00 61.40 ? 74 ASP V CG 1 +ATOM 22958 O OD1 . ASP P 16 74 ? 20.451 -47.602 -100.393 1.00 60.85 ? 74 ASP V OD1 1 +ATOM 22959 O OD2 . ASP P 16 74 ? 19.462 -45.997 -99.274 1.00 63.29 ? 74 ASP V OD2 1 +ATOM 22960 N N . TYR P 16 75 ? 19.554 -47.746 -95.877 1.00 53.51 ? 75 TYR V N 1 +ATOM 22961 C CA . TYR P 16 75 ? 20.305 -46.980 -94.879 1.00 55.19 ? 75 TYR V CA 1 +ATOM 22962 C C . TYR P 16 75 ? 21.398 -47.827 -94.237 1.00 54.78 ? 75 TYR V C 1 +ATOM 22963 O O . TYR P 16 75 ? 22.527 -47.356 -94.052 1.00 48.75 ? 75 TYR V O 1 +ATOM 22964 C CB . TYR P 16 75 ? 19.367 -46.411 -93.809 1.00 56.16 ? 75 TYR V CB 1 +ATOM 22965 C CG . TYR P 16 75 ? 20.032 -45.369 -92.933 1.00 65.83 ? 75 TYR V CG 1 +ATOM 22966 C CD1 . TYR P 16 75 ? 19.945 -44.014 -93.237 1.00 53.85 ? 75 TYR V CD1 1 +ATOM 22967 C CD2 . TYR P 16 75 ? 20.760 -45.747 -91.793 1.00 61.50 ? 75 TYR V CD2 1 +ATOM 22968 C CE1 . TYR P 16 75 ? 20.569 -43.067 -92.426 1.00 52.77 ? 75 TYR V CE1 1 +ATOM 22969 C CE2 . TYR P 16 75 ? 21.376 -44.811 -90.976 1.00 50.49 ? 75 TYR V CE2 1 +ATOM 22970 C CZ . TYR P 16 75 ? 21.285 -43.478 -91.292 1.00 55.37 ? 75 TYR V CZ 1 +ATOM 22971 O OH . TYR P 16 75 ? 21.918 -42.555 -90.480 1.00 54.10 ? 75 TYR V OH 1 +ATOM 22972 N N . MET P 16 76 ? 21.098 -49.097 -93.935 1.00 50.03 ? 76 MET V N 1 +ATOM 22973 C CA . MET P 16 76 ? 22.077 -49.987 -93.319 1.00 52.78 ? 76 MET V CA 1 +ATOM 22974 C C . MET P 16 76 ? 23.163 -50.430 -94.279 1.00 63.14 ? 76 MET V C 1 +ATOM 22975 O O . MET P 16 76 ? 24.161 -51.014 -93.830 1.00 58.09 ? 76 MET V O 1 +ATOM 22976 C CB . MET P 16 76 ? 21.382 -51.214 -92.734 1.00 47.59 ? 76 MET V CB 1 +ATOM 22977 C CG . MET P 16 76 ? 20.518 -50.888 -91.533 1.00 57.84 ? 76 MET V CG 1 +ATOM 22978 S SD . MET P 16 76 ? 19.734 -52.324 -90.767 1.00 58.04 ? 76 MET V SD 1 +ATOM 22979 C CE . MET P 16 76 ? 18.058 -52.165 -91.376 1.00 55.49 ? 76 MET V CE 1 +ATOM 22980 N N . LYS P 16 77 ? 22.985 -50.204 -95.585 1.00 57.24 ? 77 LYS V N 1 +ATOM 22981 C CA . LYS P 16 77 ? 24.061 -50.470 -96.527 1.00 63.51 ? 77 LYS V CA 1 +ATOM 22982 C C . LYS P 16 77 ? 24.899 -49.230 -96.780 1.00 60.35 ? 77 LYS V C 1 +ATOM 22983 O O . LYS P 16 77 ? 26.131 -49.322 -96.884 1.00 54.44 ? 77 LYS V O 1 +ATOM 22984 C CB . LYS P 16 77 ? 23.497 -51.004 -97.849 1.00 52.69 ? 77 LYS V CB 1 +ATOM 22985 C CG . LYS P 16 77 ? 22.835 -52.366 -97.708 1.00 57.66 ? 77 LYS V CG 1 +ATOM 22986 C CD . LYS P 16 77 ? 21.946 -52.684 -98.907 1.00 61.33 ? 77 LYS V CD 1 +ATOM 22987 C CE . LYS P 16 77 ? 21.277 -54.038 -98.729 1.00 57.48 ? 77 LYS V CE 1 +ATOM 22988 N NZ . LYS P 16 77 ? 20.378 -54.392 -99.888 1.00 63.97 ? 77 LYS V NZ 1 +ATOM 22989 N N . ASN P 16 78 ? 24.245 -48.067 -96.840 1.00 49.80 ? 78 ASN V N 1 +ATOM 22990 C CA . ASN P 16 78 ? 24.881 -46.830 -97.295 1.00 63.80 ? 78 ASN V CA 1 +ATOM 22991 C C . ASN P 16 78 ? 24.199 -45.637 -96.623 1.00 58.34 ? 78 ASN V C 1 +ATOM 22992 O O . ASN P 16 78 ? 23.463 -44.872 -97.263 1.00 54.62 ? 78 ASN V O 1 +ATOM 22993 C CB . ASN P 16 78 ? 24.806 -46.733 -98.823 1.00 57.98 ? 78 ASN V CB 1 +ATOM 22994 C CG . ASN P 16 78 ? 25.641 -45.597 -99.382 1.00 64.02 ? 78 ASN V CG 1 +ATOM 22995 O OD1 . ASN P 16 78 ? 26.755 -45.345 -98.912 1.00 71.13 ? 78 ASN V OD1 1 +ATOM 22996 N ND2 . ASN P 16 78 ? 25.111 -44.905 -100.381 1.00 61.08 ? 78 ASN V ND2 1 +ATOM 22997 N N . PRO P 16 79 ? 24.429 -45.444 -95.321 1.00 56.99 ? 79 PRO V N 1 +ATOM 22998 C CA . PRO P 16 79 ? 23.702 -44.392 -94.598 1.00 52.71 ? 79 PRO V CA 1 +ATOM 22999 C C . PRO P 16 79 ? 24.102 -43.002 -95.067 1.00 53.59 ? 79 PRO V C 1 +ATOM 23000 O O . PRO P 16 79 ? 25.240 -42.748 -95.470 1.00 54.96 ? 79 PRO V O 1 +ATOM 23001 C CB . PRO P 16 79 ? 24.110 -44.616 -93.133 1.00 50.04 ? 79 PRO V CB 1 +ATOM 23002 C CG . PRO P 16 79 ? 25.497 -45.145 -93.242 1.00 53.53 ? 79 PRO V CG 1 +ATOM 23003 C CD . PRO P 16 79 ? 25.469 -46.062 -94.479 1.00 54.49 ? 79 PRO V CD 1 +ATOM 23004 N N . THR P 16 80 ? 23.141 -42.089 -94.989 1.00 57.02 ? 80 THR V N 1 +ATOM 23005 C CA . THR P 16 80 ? 23.342 -40.696 -95.370 1.00 56.65 ? 80 THR V CA 1 +ATOM 23006 C C . THR P 16 80 ? 22.948 -39.783 -94.209 1.00 56.64 ? 80 THR V C 1 +ATOM 23007 O O . THR P 16 80 ? 22.284 -40.194 -93.257 1.00 52.44 ? 80 THR V O 1 +ATOM 23008 C CB . THR P 16 80 ? 22.502 -40.330 -96.593 1.00 51.58 ? 80 THR V CB 1 +ATOM 23009 O OG1 . THR P 16 80 ? 21.121 -40.526 -96.265 1.00 60.10 ? 80 THR V OG1 1 +ATOM 23010 C CG2 . THR P 16 80 ? 22.858 -41.203 -97.801 1.00 64.02 ? 80 THR V CG2 1 +ATOM 23011 N N . THR P 16 81 ? 23.317 -38.513 -94.317 1.00 54.98 ? 81 THR V N 1 +ATOM 23012 C CA . THR P 16 81 ? 22.704 -37.511 -93.463 1.00 59.14 ? 81 THR V CA 1 +ATOM 23013 C C . THR P 16 81 ? 21.205 -37.397 -93.758 1.00 51.03 ? 81 THR V C 1 +ATOM 23014 O O . THR P 16 81 ? 20.672 -37.960 -94.717 1.00 55.87 ? 81 THR V O 1 +ATOM 23015 C CB . THR P 16 81 ? 23.382 -36.160 -93.652 1.00 64.03 ? 81 THR V CB 1 +ATOM 23016 O OG1 . THR P 16 81 ? 23.435 -35.858 -95.064 1.00 56.59 ? 81 THR V OG1 1 +ATOM 23017 C CG2 . THR P 16 81 ? 24.790 -36.182 -93.031 1.00 45.10 ? 81 THR V CG2 1 +ATOM 23018 N N . TYR P 16 82 ? 20.531 -36.634 -92.910 1.00 51.44 ? 82 TYR V N 1 +ATOM 23019 C CA . TYR P 16 82 ? 19.074 -36.560 -92.939 1.00 56.02 ? 82 TYR V CA 1 +ATOM 23020 C C . TYR P 16 82 ? 18.554 -35.973 -94.247 1.00 54.94 ? 82 TYR V C 1 +ATOM 23021 O O . TYR P 16 82 ? 17.414 -36.243 -94.643 1.00 53.90 ? 82 TYR V O 1 +ATOM 23022 C CB . TYR P 16 82 ? 18.609 -35.725 -91.742 1.00 50.50 ? 82 TYR V CB 1 +ATOM 23023 C CG . TYR P 16 82 ? 17.135 -35.816 -91.440 1.00 55.57 ? 82 TYR V CG 1 +ATOM 23024 C CD1 . TYR P 16 82 ? 16.564 -37.016 -91.040 1.00 46.28 ? 82 TYR V CD1 1 +ATOM 23025 C CD2 . TYR P 16 82 ? 16.320 -34.679 -91.495 1.00 49.63 ? 82 TYR V CD2 1 +ATOM 23026 C CE1 . TYR P 16 82 ? 15.212 -37.096 -90.732 1.00 53.92 ? 82 TYR V CE1 1 +ATOM 23027 C CE2 . TYR P 16 82 ? 14.970 -34.753 -91.190 1.00 50.62 ? 82 TYR V CE2 1 +ATOM 23028 C CZ . TYR P 16 82 ? 14.420 -35.966 -90.818 1.00 53.10 ? 82 TYR V CZ 1 +ATOM 23029 O OH . TYR P 16 82 ? 13.079 -36.046 -90.516 1.00 53.77 ? 82 TYR V OH 1 +ATOM 23030 N N . ASP P 16 83 ? 19.353 -35.135 -94.901 1.00 53.01 ? 83 ASP V N 1 +ATOM 23031 C CA . ASP P 16 83 ? 18.969 -34.490 -96.141 1.00 54.81 ? 83 ASP V CA 1 +ATOM 23032 C C . ASP P 16 83 ? 19.529 -35.222 -97.360 1.00 61.13 ? 83 ASP V C 1 +ATOM 23033 O O . ASP P 16 83 ? 19.440 -34.704 -98.473 1.00 60.58 ? 83 ASP V O 1 +ATOM 23034 C CB . ASP P 16 83 ? 19.426 -33.018 -96.120 1.00 54.56 ? 83 ASP V CB 1 +ATOM 23035 C CG . ASP P 16 83 ? 20.930 -32.870 -95.864 1.00 59.88 ? 83 ASP V CG 1 +ATOM 23036 O OD1 . ASP P 16 83 ? 21.637 -33.902 -95.756 1.00 60.44 ? 83 ASP V OD1 1 +ATOM 23037 O OD2 . ASP P 16 83 ? 21.408 -31.726 -95.770 1.00 56.70 ? 83 ASP V OD2 1 +ATOM 23038 N N . GLY P 16 84 ? 20.119 -36.402 -97.163 1.00 58.18 ? 84 GLY V N 1 +ATOM 23039 C CA . GLY P 16 84 ? 20.692 -37.219 -98.211 1.00 54.95 ? 84 GLY V CA 1 +ATOM 23040 C C . GLY P 16 84 ? 21.957 -36.678 -98.831 1.00 58.45 ? 84 GLY V C 1 +ATOM 23041 O O . GLY P 16 84 ? 22.528 -37.341 -99.698 1.00 65.04 ? 84 GLY V O 1 +ATOM 23042 N N A GLU P 16 85 ? 22.418 -35.501 -98.420 0.50 55.49 ? 85 GLU V N 1 +ATOM 23043 N N B GLU P 16 85 ? 22.439 -35.515 -98.378 0.50 55.43 ? 85 GLU V N 1 +ATOM 23044 C CA A GLU P 16 85 ? 23.510 -34.833 -99.119 0.50 65.51 ? 85 GLU V CA 1 +ATOM 23045 C CA B GLU P 16 85 ? 23.509 -34.799 -99.069 0.50 65.53 ? 85 GLU V CA 1 +ATOM 23046 C C A GLU P 16 85 ? 24.852 -35.527 -98.928 0.50 59.82 ? 85 GLU V C 1 +ATOM 23047 C C B GLU P 16 85 ? 24.890 -35.397 -98.823 0.50 59.80 ? 85 GLU V C 1 +ATOM 23048 O O A GLU P 16 85 ? 25.717 -35.431 -99.801 0.50 62.84 ? 85 GLU V O 1 +ATOM 23049 O O B GLU P 16 85 ? 25.823 -35.101 -99.573 0.50 64.53 ? 85 GLU V O 1 +ATOM 23050 C CB A GLU P 16 85 ? 23.623 -33.374 -98.665 0.50 61.42 ? 85 GLU V CB 1 +ATOM 23051 C CB B GLU P 16 85 ? 23.508 -33.311 -98.660 0.50 61.36 ? 85 GLU V CB 1 +ATOM 23052 C CG A GLU P 16 85 ? 24.384 -32.509 -99.653 0.50 75.15 ? 85 GLU V CG 1 +ATOM 23053 C CG B GLU P 16 85 ? 22.182 -32.564 -98.902 0.50 49.12 ? 85 GLU V CG 1 +ATOM 23054 C CD A GLU P 16 85 ? 23.863 -32.688 -101.062 0.50 59.24 ? 85 GLU V CD 1 +ATOM 23055 C CD B GLU P 16 85 ? 22.277 -31.474 -99.973 0.50 74.82 ? 85 GLU V CD 1 +ATOM 23056 O OE1 A GLU P 16 85 ? 22.668 -32.395 -101.292 0.50 67.30 ? 85 GLU V OE1 1 +ATOM 23057 O OE1 B GLU P 16 85 ? 23.204 -31.533 -100.811 0.50 69.52 ? 85 GLU V OE1 1 +ATOM 23058 O OE2 A GLU P 16 85 ? 24.638 -33.148 -101.928 0.50 83.30 ? 85 GLU V OE2 1 +ATOM 23059 O OE2 B GLU P 16 85 ? 21.427 -30.548 -99.968 0.50 74.75 ? 85 GLU V OE2 1 +ATOM 23060 N N . GLN P 16 86 ? 25.052 -36.227 -97.801 1.00 58.94 ? 86 GLN V N 1 +ATOM 23061 C CA . GLN P 16 86 ? 26.354 -36.806 -97.507 1.00 61.28 ? 86 GLN V CA 1 +ATOM 23062 C C . GLN P 16 86 ? 26.242 -38.257 -97.061 1.00 67.73 ? 86 GLN V C 1 +ATOM 23063 O O . GLN P 16 86 ? 25.274 -38.657 -96.413 1.00 59.10 ? 86 GLN V O 1 +ATOM 23064 C CB . GLN P 16 86 ? 27.106 -36.020 -96.437 1.00 62.25 ? 86 GLN V CB 1 +ATOM 23065 C CG . GLN P 16 86 ? 28.607 -36.234 -96.523 1.00 92.97 ? 86 GLN V CG 1 +ATOM 23066 C CD . GLN P 16 86 ? 29.315 -35.877 -95.235 1.00 124.54 ? 86 GLN V CD 1 +ATOM 23067 O OE1 . GLN P 16 86 ? 29.959 -36.727 -94.609 1.00 144.60 ? 86 GLN V OE1 1 +ATOM 23068 N NE2 . GLN P 16 86 ? 29.193 -34.616 -94.821 1.00 122.37 ? 86 GLN V NE2 1 +ATOM 23069 N N . GLU P 16 87 ? 27.268 -39.033 -97.410 1.00 57.29 ? 87 GLU V N 1 +ATOM 23070 C CA . GLU P 16 87 ? 27.388 -40.427 -97.037 1.00 62.82 ? 87 GLU V CA 1 +ATOM 23071 C C . GLU P 16 87 ? 28.257 -40.526 -95.796 1.00 61.87 ? 87 GLU V C 1 +ATOM 23072 O O . GLU P 16 87 ? 29.370 -39.989 -95.768 1.00 62.77 ? 87 GLU V O 1 +ATOM 23073 C CB . GLU P 16 87 ? 27.983 -41.236 -98.191 1.00 54.68 ? 87 GLU V CB 1 +ATOM 23074 C CG . GLU P 16 87 ? 27.073 -41.236 -99.397 1.00 70.63 ? 87 GLU V CG 1 +ATOM 23075 C CD . GLU P 16 87 ? 27.635 -41.997 -100.579 1.00 72.59 ? 87 GLU V CD 1 +ATOM 23076 O OE1 . GLU P 16 87 ? 28.876 -42.160 -100.658 1.00 69.38 ? 87 GLU V OE1 1 +ATOM 23077 O OE2 . GLU P 16 87 ? 26.824 -42.439 -101.418 1.00 66.29 ? 87 GLU V OE2 1 +ATOM 23078 N N . ILE P 16 88 ? 27.746 -41.208 -94.773 1.00 53.16 ? 88 ILE V N 1 +ATOM 23079 C CA . ILE P 16 88 ? 28.349 -41.178 -93.448 1.00 56.15 ? 88 ILE V CA 1 +ATOM 23080 C C . ILE P 16 88 ? 28.804 -42.569 -93.008 1.00 56.11 ? 88 ILE V C 1 +ATOM 23081 O O . ILE P 16 88 ? 28.975 -42.832 -91.806 1.00 54.02 ? 88 ILE V O 1 +ATOM 23082 C CB . ILE P 16 88 ? 27.388 -40.535 -92.430 1.00 53.39 ? 88 ILE V CB 1 +ATOM 23083 C CG1 . ILE P 16 88 ? 26.098 -41.350 -92.303 1.00 56.67 ? 88 ILE V CG1 1 +ATOM 23084 C CG2 . ILE P 16 88 ? 27.068 -39.100 -92.861 1.00 48.53 ? 88 ILE V CG2 1 +ATOM 23085 C CD1 . ILE P 16 88 ? 25.199 -40.920 -91.128 1.00 50.95 ? 88 ILE V CD1 1 +ATOM 23086 N N . ALA P 16 89 ? 29.034 -43.453 -93.980 1.00 54.28 ? 89 ALA V N 1 +ATOM 23087 C CA . ALA P 16 89 ? 29.492 -44.805 -93.700 1.00 57.36 ? 89 ALA V CA 1 +ATOM 23088 C C . ALA P 16 89 ? 30.731 -44.815 -92.831 1.00 49.39 ? 89 ALA V C 1 +ATOM 23089 O O . ALA P 16 89 ? 30.940 -45.758 -92.071 1.00 61.04 ? 89 ALA V O 1 +ATOM 23090 C CB . ALA P 16 89 ? 29.781 -45.542 -95.018 1.00 58.96 ? 89 ALA V CB 1 +ATOM 23091 N N . GLU P 16 90 ? 31.564 -43.782 -92.923 1.00 61.16 ? 90 GLU V N 1 +ATOM 23092 C CA . GLU P 16 90 ? 32.813 -43.772 -92.172 1.00 65.52 ? 90 GLU V CA 1 +ATOM 23093 C C . GLU P 16 90 ? 32.594 -43.571 -90.676 1.00 70.43 ? 90 GLU V C 1 +ATOM 23094 O O . GLU P 16 90 ? 33.504 -43.859 -89.876 1.00 55.03 ? 90 GLU V O 1 +ATOM 23095 C CB . GLU P 16 90 ? 33.737 -42.683 -92.729 1.00 67.64 ? 90 GLU V CB 1 +ATOM 23096 C CG . GLU P 16 90 ? 35.218 -43.060 -92.709 1.00 81.23 ? 90 GLU V CG 1 +ATOM 23097 C CD . GLU P 16 90 ? 36.085 -42.135 -93.562 1.00 88.03 ? 90 GLU V CD 1 +ATOM 23098 O OE1 . GLU P 16 90 ? 35.545 -41.186 -94.174 1.00 97.65 ? 90 GLU V OE1 1 +ATOM 23099 O OE2 . GLU P 16 90 ? 37.317 -42.356 -93.614 1.00 100.95 ? 90 GLU V OE2 1 +ATOM 23100 N N . VAL P 16 91 ? 31.411 -43.103 -90.268 1.00 49.68 ? 91 VAL V N 1 +ATOM 23101 C CA . VAL P 16 91 ? 31.141 -42.871 -88.856 1.00 55.10 ? 91 VAL V CA 1 +ATOM 23102 C C . VAL P 16 91 ? 29.856 -43.531 -88.387 1.00 54.42 ? 91 VAL V C 1 +ATOM 23103 O O . VAL P 16 91 ? 29.524 -43.443 -87.205 1.00 55.50 ? 91 VAL V O 1 +ATOM 23104 C CB . VAL P 16 91 ? 31.135 -41.357 -88.514 1.00 54.64 ? 91 VAL V CB 1 +ATOM 23105 C CG1 . VAL P 16 91 ? 32.542 -40.774 -88.687 1.00 51.76 ? 91 VAL V CG1 1 +ATOM 23106 C CG2 . VAL P 16 91 ? 30.109 -40.585 -89.353 1.00 47.13 ? 91 VAL V CG2 1 +ATOM 23107 N N . HIS P 16 92 ? 29.150 -44.236 -89.260 1.00 51.94 ? 92 HIS V N 1 +ATOM 23108 C CA . HIS P 16 92 ? 27.952 -44.961 -88.882 1.00 54.63 ? 92 HIS V CA 1 +ATOM 23109 C C . HIS P 16 92 ? 28.045 -46.406 -89.354 1.00 55.55 ? 92 HIS V C 1 +ATOM 23110 O O . HIS P 16 92 ? 28.454 -46.656 -90.490 1.00 60.43 ? 92 HIS V O 1 +ATOM 23111 C CB . HIS P 16 92 ? 26.696 -44.309 -89.474 1.00 48.77 ? 92 HIS V CB 1 +ATOM 23112 C CG . HIS P 16 92 ? 25.422 -44.851 -88.910 1.00 59.15 ? 92 HIS V CG 1 +ATOM 23113 N ND1 . HIS P 16 92 ? 24.893 -46.063 -89.296 1.00 48.82 ? 92 HIS V ND1 1 +ATOM 23114 C CD2 . HIS P 16 92 ? 24.585 -44.358 -87.963 1.00 49.25 ? 92 HIS V CD2 1 +ATOM 23115 C CE1 . HIS P 16 92 ? 23.775 -46.286 -88.624 1.00 52.02 ? 92 HIS V CE1 1 +ATOM 23116 N NE2 . HIS P 16 92 ? 23.565 -45.264 -87.810 1.00 48.73 ? 92 HIS V NE2 1 +ATOM 23117 N N . PRO P 16 93 ? 27.667 -47.372 -88.513 1.00 62.78 ? 93 PRO V N 1 +ATOM 23118 C CA . PRO P 16 93 ? 27.767 -48.787 -88.913 1.00 61.28 ? 93 PRO V CA 1 +ATOM 23119 C C . PRO P 16 93 ? 26.942 -49.097 -90.156 1.00 58.31 ? 93 PRO V C 1 +ATOM 23120 O O . PRO P 16 93 ? 25.793 -48.669 -90.292 1.00 58.36 ? 93 PRO V O 1 +ATOM 23121 C CB . PRO P 16 93 ? 27.236 -49.545 -87.689 1.00 49.87 ? 93 PRO V CB 1 +ATOM 23122 C CG . PRO P 16 93 ? 27.418 -48.620 -86.565 1.00 56.93 ? 93 PRO V CG 1 +ATOM 23123 C CD . PRO P 16 93 ? 27.291 -47.219 -87.101 1.00 53.68 ? 93 PRO V CD 1 +ATOM 23124 N N . SER P 16 94 ? 27.545 -49.844 -91.074 1.00 56.23 ? 94 SER V N 1 +ATOM 23125 C CA . SER P 16 94 ? 26.860 -50.223 -92.303 1.00 54.04 ? 94 SER V CA 1 +ATOM 23126 C C . SER P 16 94 ? 27.631 -51.373 -92.934 1.00 59.70 ? 94 SER V C 1 +ATOM 23127 O O . SER P 16 94 ? 28.767 -51.666 -92.546 1.00 57.36 ? 94 SER V O 1 +ATOM 23128 C CB . SER P 16 94 ? 26.766 -49.049 -93.282 1.00 48.14 ? 94 SER V CB 1 +ATOM 23129 O OG . SER P 16 94 ? 28.053 -48.749 -93.787 1.00 51.73 ? 94 SER V OG 1 +ATOM 23130 N N . LEU P 16 95 ? 27.006 -52.005 -93.936 1.00 55.05 ? 95 LEU V N 1 +ATOM 23131 C CA . LEU P 16 95 ? 27.702 -53.043 -94.703 1.00 66.36 ? 95 LEU V CA 1 +ATOM 23132 C C . LEU P 16 95 ? 28.883 -52.466 -95.464 1.00 57.01 ? 95 LEU V C 1 +ATOM 23133 O O . LEU P 16 95 ? 29.951 -53.081 -95.529 1.00 60.37 ? 95 LEU V O 1 +ATOM 23134 C CB . LEU P 16 95 ? 26.738 -53.736 -95.662 1.00 54.18 ? 95 LEU V CB 1 +ATOM 23135 C CG . LEU P 16 95 ? 25.635 -54.518 -94.948 1.00 66.30 ? 95 LEU V CG 1 +ATOM 23136 C CD1 . LEU P 16 95 ? 24.866 -55.363 -95.932 1.00 64.33 ? 95 LEU V CD1 1 +ATOM 23137 C CD2 . LEU P 16 95 ? 26.229 -55.369 -93.857 1.00 59.03 ? 95 LEU V CD2 1 +ATOM 23138 N N . ARG P 16 96 ? 28.718 -51.271 -96.024 1.00 54.02 ? 96 ARG V N 1 +ATOM 23139 C CA . ARG P 16 96 ? 29.830 -50.619 -96.703 1.00 57.66 ? 96 ARG V CA 1 +ATOM 23140 C C . ARG P 16 96 ? 31.027 -50.419 -95.773 1.00 70.50 ? 96 ARG V C 1 +ATOM 23141 O O . ARG P 16 96 ? 32.176 -50.404 -96.233 1.00 65.48 ? 96 ARG V O 1 +ATOM 23142 C CB . ARG P 16 96 ? 29.350 -49.294 -97.268 1.00 54.39 ? 96 ARG V CB 1 +ATOM 23143 C CG . ARG P 16 96 ? 30.382 -48.492 -97.996 1.00 72.86 ? 96 ARG V CG 1 +ATOM 23144 C CD . ARG P 16 96 ? 29.669 -47.339 -98.645 1.00 76.18 ? 96 ARG V CD 1 +ATOM 23145 N NE . ARG P 16 96 ? 30.542 -46.534 -99.484 1.00 90.51 ? 96 ARG V NE 1 +ATOM 23146 C CZ . ARG P 16 96 ? 30.178 -45.378 -100.020 1.00 91.22 ? 96 ARG V CZ 1 +ATOM 23147 N NH1 . ARG P 16 96 ? 28.988 -44.858 -99.783 1.00 88.25 ? 96 ARG V NH1 1 +ATOM 23148 N NH2 . ARG P 16 96 ? 31.026 -44.734 -100.819 1.00 108.30 ? 96 ARG V NH2 1 +ATOM 23149 N N . SER P 16 97 ? 30.791 -50.281 -94.466 1.00 55.76 ? 97 SER V N 1 +ATOM 23150 C CA . SER P 16 97 ? 31.866 -49.997 -93.520 1.00 62.60 ? 97 SER V CA 1 +ATOM 23151 C C . SER P 16 97 ? 32.021 -51.127 -92.503 1.00 60.01 ? 97 SER V C 1 +ATOM 23152 O O . SER P 16 97 ? 32.445 -50.908 -91.359 1.00 61.13 ? 97 SER V O 1 +ATOM 23153 C CB . SER P 16 97 ? 31.626 -48.648 -92.834 1.00 55.78 ? 97 SER V CB 1 +ATOM 23154 O OG . SER P 16 97 ? 30.300 -48.568 -92.331 1.00 55.23 ? 97 SER V OG 1 +ATOM 23155 N N . ALA P 16 98 ? 31.688 -52.348 -92.927 1.00 58.60 ? 98 ALA V N 1 +ATOM 23156 C CA . ALA P 16 98 ? 31.836 -53.528 -92.094 1.00 57.61 ? 98 ALA V CA 1 +ATOM 23157 C C . ALA P 16 98 ? 33.288 -53.813 -91.745 1.00 52.59 ? 98 ALA V C 1 +ATOM 23158 O O . ALA P 16 98 ? 33.552 -54.513 -90.768 1.00 58.10 ? 98 ALA V O 1 +ATOM 23159 C CB . ALA P 16 98 ? 31.209 -54.733 -92.796 1.00 51.25 ? 98 ALA V CB 1 +ATOM 23160 N N . ASP P 16 99 ? 34.238 -53.301 -92.512 1.00 49.94 ? 99 ASP V N 1 +ATOM 23161 C CA . ASP P 16 99 ? 35.630 -53.485 -92.123 1.00 53.23 ? 99 ASP V CA 1 +ATOM 23162 C C . ASP P 16 99 ? 35.943 -52.741 -90.830 1.00 61.05 ? 99 ASP V C 1 +ATOM 23163 O O . ASP P 16 99 ? 36.702 -53.240 -89.997 1.00 75.05 ? 99 ASP V O 1 +ATOM 23164 C CB . ASP P 16 99 ? 36.559 -53.030 -93.250 1.00 63.64 ? 99 ASP V CB 1 +ATOM 23165 C CG . ASP P 16 99 ? 36.401 -51.552 -93.594 1.00 79.27 ? 99 ASP V CG 1 +ATOM 23166 O OD1 . ASP P 16 99 ? 35.276 -51.001 -93.514 1.00 71.62 ? 99 ASP V OD1 1 +ATOM 23167 O OD2 . ASP P 16 99 ? 37.422 -50.934 -93.955 1.00 89.75 ? 99 ASP V OD2 1 +ATOM 23168 N N . ILE P 16 100 ? 35.361 -51.555 -90.629 1.00 61.12 ? 100 ILE V N 1 +ATOM 23169 C CA . ILE P 16 100 ? 35.644 -50.773 -89.430 1.00 59.20 ? 100 ILE V CA 1 +ATOM 23170 C C . ILE P 16 100 ? 34.558 -50.895 -88.365 1.00 66.33 ? 100 ILE V C 1 +ATOM 23171 O O . ILE P 16 100 ? 34.782 -50.459 -87.224 1.00 60.29 ? 100 ILE V O 1 +ATOM 23172 C CB . ILE P 16 100 ? 35.867 -49.281 -89.770 1.00 71.10 ? 100 ILE V CB 1 +ATOM 23173 C CG1 . ILE P 16 100 ? 34.674 -48.725 -90.551 1.00 65.08 ? 100 ILE V CG1 1 +ATOM 23174 C CG2 . ILE P 16 100 ? 37.157 -49.097 -90.563 1.00 58.72 ? 100 ILE V CG2 1 +ATOM 23175 C CD1 . ILE P 16 100 ? 34.729 -47.249 -90.757 1.00 61.69 ? 100 ILE V CD1 1 +ATOM 23176 N N . PHE P 16 101 ? 33.381 -51.427 -88.704 1.00 55.69 ? 101 PHE V N 1 +ATOM 23177 C CA . PHE P 16 101 ? 32.337 -51.761 -87.735 1.00 53.07 ? 101 PHE V CA 1 +ATOM 23178 C C . PHE P 16 101 ? 32.162 -53.276 -87.784 1.00 58.23 ? 101 PHE V C 1 +ATOM 23179 O O . PHE P 16 101 ? 31.214 -53.785 -88.405 1.00 56.49 ? 101 PHE V O 1 +ATOM 23180 C CB . PHE P 16 101 ? 31.027 -51.025 -88.025 1.00 52.58 ? 101 PHE V CB 1 +ATOM 23181 C CG . PHE P 16 101 ? 31.093 -49.522 -87.793 1.00 58.96 ? 101 PHE V CG 1 +ATOM 23182 C CD1 . PHE P 16 101 ? 30.947 -48.990 -86.516 1.00 56.14 ? 101 PHE V CD1 1 +ATOM 23183 C CD2 . PHE P 16 101 ? 31.289 -48.646 -88.858 1.00 54.81 ? 101 PHE V CD2 1 +ATOM 23184 C CE1 . PHE P 16 101 ? 31.000 -47.607 -86.297 1.00 57.31 ? 101 PHE V CE1 1 +ATOM 23185 C CE2 . PHE P 16 101 ? 31.340 -47.254 -88.650 1.00 58.06 ? 101 PHE V CE2 1 +ATOM 23186 C CZ . PHE P 16 101 ? 31.197 -46.737 -87.366 1.00 53.58 ? 101 PHE V CZ 1 +ATOM 23187 N N . PRO P 16 102 ? 33.046 -54.029 -87.125 1.00 60.69 ? 102 PRO V N 1 +ATOM 23188 C CA . PRO P 16 102 ? 33.071 -55.487 -87.330 1.00 54.81 ? 102 PRO V CA 1 +ATOM 23189 C C . PRO P 16 102 ? 31.771 -56.198 -86.979 1.00 61.49 ? 102 PRO V C 1 +ATOM 23190 O O . PRO P 16 102 ? 31.551 -57.312 -87.466 1.00 55.77 ? 102 PRO V O 1 +ATOM 23191 C CB . PRO P 16 102 ? 34.219 -55.954 -86.422 1.00 58.72 ? 102 PRO V CB 1 +ATOM 23192 C CG . PRO P 16 102 ? 34.990 -54.699 -86.082 1.00 63.67 ? 102 PRO V CG 1 +ATOM 23193 C CD . PRO P 16 102 ? 33.976 -53.607 -86.070 1.00 56.55 ? 102 PRO V CD 1 +ATOM 23194 N N . LYS P 16 103 ? 30.891 -55.613 -86.164 1.00 55.60 ? 103 LYS V N 1 +ATOM 23195 C CA . LYS P 16 103 ? 29.669 -56.352 -85.856 1.00 58.15 ? 103 LYS V CA 1 +ATOM 23196 C C . LYS P 16 103 ? 28.762 -56.467 -87.065 1.00 53.03 ? 103 LYS V C 1 +ATOM 23197 O O . LYS P 16 103 ? 27.857 -57.301 -87.060 1.00 64.98 ? 103 LYS V O 1 +ATOM 23198 C CB . LYS P 16 103 ? 28.904 -55.718 -84.693 1.00 55.98 ? 103 LYS V CB 1 +ATOM 23199 C CG . LYS P 16 103 ? 29.608 -55.901 -83.343 1.00 64.29 ? 103 LYS V CG 1 +ATOM 23200 C CD . LYS P 16 103 ? 28.654 -55.756 -82.161 1.00 64.50 ? 103 LYS V CD 1 +ATOM 23201 C CE . LYS P 16 103 ? 28.419 -54.309 -81.804 1.00 59.46 ? 103 LYS V CE 1 +ATOM 23202 N NZ . LYS P 16 103 ? 27.649 -54.171 -80.528 1.00 57.55 ? 103 LYS V NZ 1 +ATOM 23203 N N . MET P 16 104 ? 28.989 -55.646 -88.091 1.00 56.34 ? 104 MET V N 1 +ATOM 23204 C CA . MET P 16 104 ? 28.187 -55.663 -89.298 1.00 54.91 ? 104 MET V CA 1 +ATOM 23205 C C . MET P 16 104 ? 28.612 -56.768 -90.245 1.00 60.76 ? 104 MET V C 1 +ATOM 23206 O O . MET P 16 104 ? 27.851 -57.074 -91.158 1.00 53.57 ? 104 MET V O 1 +ATOM 23207 C CB . MET P 16 104 ? 28.268 -54.303 -90.017 1.00 56.98 ? 104 MET V CB 1 +ATOM 23208 C CG . MET P 16 104 ? 27.797 -53.099 -89.183 1.00 54.31 ? 104 MET V CG 1 +ATOM 23209 S SD . MET P 16 104 ? 26.075 -53.217 -88.645 1.00 58.95 ? 104 MET V SD 1 +ATOM 23210 C CE . MET P 16 104 ? 25.196 -52.794 -90.147 1.00 55.10 ? 104 MET V CE 1 +ATOM 23211 N N . ARG P 16 105 ? 29.791 -57.372 -90.013 1.00 59.44 ? 105 ARG V N 1 +ATOM 23212 C CA . ARG P 16 105 ? 30.342 -58.424 -90.871 1.00 63.81 ? 105 ARG V CA 1 +ATOM 23213 C C . ARG P 16 105 ? 29.480 -59.678 -90.928 1.00 57.58 ? 105 ARG V C 1 +ATOM 23214 O O . ARG P 16 105 ? 29.548 -60.412 -91.914 1.00 74.67 ? 105 ARG V O 1 +ATOM 23215 C CB . ARG P 16 105 ? 31.743 -58.834 -90.408 1.00 53.05 ? 105 ARG V CB 1 +ATOM 23216 C CG . ARG P 16 105 ? 32.826 -57.794 -90.630 1.00 67.30 ? 105 ARG V CG 1 +ATOM 23217 C CD . ARG P 16 105 ? 34.111 -58.204 -89.930 1.00 61.23 ? 105 ARG V CD 1 +ATOM 23218 N NE . ARG P 16 105 ? 35.084 -57.122 -89.939 1.00 68.36 ? 105 ARG V NE 1 +ATOM 23219 C CZ . ARG P 16 105 ? 36.279 -57.191 -89.371 1.00 77.12 ? 105 ARG V CZ 1 +ATOM 23220 N NH1 . ARG P 16 105 ? 36.689 -58.287 -88.759 1.00 73.65 ? 105 ARG V NH1 1 +ATOM 23221 N NH2 . ARG P 16 105 ? 37.083 -56.130 -89.414 1.00 72.55 ? 105 ARG V NH2 1 +ATOM 23222 N N . ASN P 16 106 ? 28.712 -59.994 -89.892 1.00 71.02 ? 106 ASN V N 1 +ATOM 23223 C CA . ASN P 16 106 ? 27.925 -61.223 -89.957 1.00 91.28 ? 106 ASN V CA 1 +ATOM 23224 C C . ASN P 16 106 ? 26.430 -60.948 -90.061 1.00 79.22 ? 106 ASN V C 1 +ATOM 23225 O O . ASN P 16 106 ? 25.611 -61.777 -89.662 1.00 86.27 ? 106 ASN V O 1 +ATOM 23226 C CB . ASN P 16 106 ? 28.234 -62.158 -88.785 1.00 82.51 ? 106 ASN V CB 1 +ATOM 23227 C CG . ASN P 16 106 ? 28.523 -61.429 -87.513 1.00 93.24 ? 106 ASN V CG 1 +ATOM 23228 O OD1 . ASN P 16 106 ? 27.846 -60.453 -87.175 1.00 108.94 ? 106 ASN V OD1 1 +ATOM 23229 N ND2 . ASN P 16 106 ? 29.546 -61.891 -86.784 1.00 84.76 ? 106 ASN V ND2 1 +ATOM 23230 N N . LEU P 16 107 ? 26.062 -59.802 -90.623 1.00 66.88 ? 107 LEU V N 1 +ATOM 23231 C CA . LEU P 16 107 ? 24.669 -59.497 -90.911 1.00 67.86 ? 107 LEU V CA 1 +ATOM 23232 C C . LEU P 16 107 ? 24.398 -59.850 -92.366 1.00 66.53 ? 107 LEU V C 1 +ATOM 23233 O O . LEU P 16 107 ? 25.143 -59.433 -93.256 1.00 69.35 ? 107 LEU V O 1 +ATOM 23234 C CB . LEU P 16 107 ? 24.349 -58.019 -90.642 1.00 63.47 ? 107 LEU V CB 1 +ATOM 23235 C CG . LEU P 16 107 ? 24.456 -57.588 -89.171 1.00 74.49 ? 107 LEU V CG 1 +ATOM 23236 C CD1 . LEU P 16 107 ? 23.883 -56.182 -88.915 1.00 66.84 ? 107 LEU V CD1 1 +ATOM 23237 C CD2 . LEU P 16 107 ? 23.763 -58.613 -88.322 1.00 57.38 ? 107 LEU V CD2 1 +ATOM 23238 N N . THR P 16 108 ? 23.365 -60.639 -92.599 1.00 64.43 ? 108 THR V N 1 +ATOM 23239 C CA . THR P 16 108 ? 22.960 -60.981 -93.952 1.00 68.77 ? 108 THR V CA 1 +ATOM 23240 C C . THR P 16 108 ? 21.785 -60.109 -94.348 1.00 61.52 ? 108 THR V C 1 +ATOM 23241 O O . THR P 16 108 ? 21.183 -59.422 -93.520 1.00 60.91 ? 108 THR V O 1 +ATOM 23242 C CB . THR P 16 108 ? 22.578 -62.461 -94.078 1.00 64.88 ? 108 THR V CB 1 +ATOM 23243 O OG1 . THR P 16 108 ? 21.395 -62.711 -93.302 1.00 59.32 ? 108 THR V OG1 1 +ATOM 23244 C CG2 . THR P 16 108 ? 23.719 -63.363 -93.618 1.00 49.89 ? 108 THR V CG2 1 +ATOM 23245 N N . GLU P 16 109 ? 21.468 -60.147 -95.639 1.00 57.51 ? 109 GLU V N 1 +ATOM 23246 C CA . GLU P 16 109 ? 20.364 -59.352 -96.161 1.00 66.89 ? 109 GLU V CA 1 +ATOM 23247 C C . GLU P 16 109 ? 19.074 -59.633 -95.399 1.00 59.80 ? 109 GLU V C 1 +ATOM 23248 O O . GLU P 16 109 ? 18.287 -58.721 -95.117 1.00 62.45 ? 109 GLU V O 1 +ATOM 23249 C CB . GLU P 16 109 ? 20.185 -59.642 -97.659 1.00 61.31 ? 109 GLU V CB 1 +ATOM 23250 C CG . GLU P 16 109 ? 19.068 -58.851 -98.296 1.00 57.82 ? 109 GLU V CG 1 +ATOM 23251 C CD . GLU P 16 109 ? 19.525 -57.481 -98.728 1.00 60.62 ? 109 GLU V CD 1 +ATOM 23252 O OE1 . GLU P 16 109 ? 20.748 -57.294 -98.881 1.00 59.67 ? 109 GLU V OE1 1 +ATOM 23253 O OE2 . GLU P 16 109 ? 18.665 -56.603 -98.932 1.00 60.82 ? 109 GLU V OE2 1 +ATOM 23254 N N . LYS P 16 110 ? 18.841 -60.893 -95.061 1.00 52.01 ? 110 LYS V N 1 +ATOM 23255 C CA . LYS P 16 110 ? 17.627 -61.244 -94.339 1.00 61.07 ? 110 LYS V CA 1 +ATOM 23256 C C . LYS P 16 110 ? 17.633 -60.617 -92.941 1.00 69.21 ? 110 LYS V C 1 +ATOM 23257 O O . LYS P 16 110 ? 16.579 -60.220 -92.418 1.00 52.23 ? 110 LYS V O 1 +ATOM 23258 C CB . LYS P 16 110 ? 17.515 -62.774 -94.320 1.00 61.32 ? 110 LYS V CB 1 +ATOM 23259 C CG . LYS P 16 110 ? 16.880 -63.428 -93.123 1.00 66.68 ? 110 LYS V CG 1 +ATOM 23260 C CD . LYS P 16 110 ? 17.442 -64.827 -92.976 1.00 69.21 ? 110 LYS V CD 1 +ATOM 23261 C CE . LYS P 16 110 ? 16.850 -65.557 -91.788 1.00 83.08 ? 110 LYS V CE 1 +ATOM 23262 N NZ . LYS P 16 110 ? 17.374 -66.954 -91.720 1.00 81.37 ? 110 LYS V NZ 1 +ATOM 23263 N N . ASP P 16 111 ? 18.821 -60.487 -92.339 1.00 59.26 ? 111 ASP V N 1 +ATOM 23264 C CA . ASP P 16 111 ? 18.935 -59.812 -91.049 1.00 54.45 ? 111 ASP V CA 1 +ATOM 23265 C C . ASP P 16 111 ? 18.542 -58.343 -91.155 1.00 58.13 ? 111 ASP V C 1 +ATOM 23266 O O . ASP P 16 111 ? 17.815 -57.825 -90.293 1.00 57.84 ? 111 ASP V O 1 +ATOM 23267 C CB . ASP P 16 111 ? 20.359 -59.946 -90.518 1.00 55.96 ? 111 ASP V CB 1 +ATOM 23268 C CG . ASP P 16 111 ? 20.756 -61.395 -90.281 1.00 59.28 ? 111 ASP V CG 1 +ATOM 23269 O OD1 . ASP P 16 111 ? 19.887 -62.186 -89.856 1.00 58.79 ? 111 ASP V OD1 1 +ATOM 23270 O OD2 . ASP P 16 111 ? 21.925 -61.743 -90.540 1.00 63.00 ? 111 ASP V OD2 1 +ATOM 23271 N N . LEU P 16 112 ? 18.995 -57.661 -92.218 1.00 53.86 ? 112 LEU V N 1 +ATOM 23272 C CA . LEU P 16 112 ? 18.665 -56.247 -92.385 1.00 53.22 ? 112 LEU V CA 1 +ATOM 23273 C C . LEU P 16 112 ? 17.161 -56.035 -92.464 1.00 53.78 ? 112 LEU V C 1 +ATOM 23274 O O . LEU P 16 112 ? 16.642 -55.043 -91.945 1.00 55.37 ? 112 LEU V O 1 +ATOM 23275 C CB . LEU P 16 112 ? 19.353 -55.680 -93.625 1.00 51.03 ? 112 LEU V CB 1 +ATOM 23276 C CG . LEU P 16 112 ? 20.880 -55.790 -93.711 1.00 66.73 ? 112 LEU V CG 1 +ATOM 23277 C CD1 . LEU P 16 112 ? 21.413 -54.946 -94.880 1.00 60.64 ? 112 LEU V CD1 1 +ATOM 23278 C CD2 . LEU P 16 112 ? 21.561 -55.375 -92.421 1.00 60.57 ? 112 LEU V CD2 1 +ATOM 23279 N N . VAL P 16 113 ? 16.441 -56.958 -93.092 1.00 52.60 ? 113 VAL V N 1 +ATOM 23280 C CA . VAL P 16 113 ? 14.987 -56.833 -93.159 1.00 53.56 ? 113 VAL V CA 1 +ATOM 23281 C C . VAL P 16 113 ? 14.370 -56.969 -91.773 1.00 57.54 ? 113 VAL V C 1 +ATOM 23282 O O . VAL P 16 113 ? 13.394 -56.284 -91.437 1.00 51.85 ? 113 VAL V O 1 +ATOM 23283 C CB . VAL P 16 113 ? 14.420 -57.894 -94.122 1.00 60.71 ? 113 VAL V CB 1 +ATOM 23284 C CG1 . VAL P 16 113 ? 12.896 -57.971 -94.013 1.00 53.76 ? 113 VAL V CG1 1 +ATOM 23285 C CG2 . VAL P 16 113 ? 14.866 -57.596 -95.542 1.00 47.97 ? 113 VAL V CG2 1 +ATOM 23286 N N . ALA P 16 114 ? 14.888 -57.908 -90.971 1.00 52.78 ? 114 ALA V N 1 +ATOM 23287 C CA . ALA P 16 114 ? 14.322 -58.149 -89.656 1.00 49.15 ? 114 ALA V CA 1 +ATOM 23288 C C . ALA P 16 114 ? 14.563 -56.945 -88.744 1.00 56.04 ? 114 ALA V C 1 +ATOM 23289 O O . ALA P 16 114 ? 13.636 -56.466 -88.077 1.00 53.46 ? 114 ALA V O 1 +ATOM 23290 C CB . ALA P 16 114 ? 14.899 -59.443 -89.065 1.00 44.05 ? 114 ALA V CB 1 +ATOM 23291 N N . ILE P 16 115 ? 15.792 -56.416 -88.737 1.00 50.92 ? 115 ILE V N 1 +ATOM 23292 C CA . ILE P 16 115 ? 16.073 -55.200 -87.976 1.00 60.70 ? 115 ILE V CA 1 +ATOM 23293 C C . ILE P 16 115 ? 15.155 -54.071 -88.422 1.00 52.38 ? 115 ILE V C 1 +ATOM 23294 O O . ILE P 16 115 ? 14.578 -53.350 -87.602 1.00 57.04 ? 115 ILE V O 1 +ATOM 23295 C CB . ILE P 16 115 ? 17.545 -54.785 -88.119 1.00 53.49 ? 115 ILE V CB 1 +ATOM 23296 C CG1 . ILE P 16 115 ? 18.473 -55.875 -87.610 1.00 46.59 ? 115 ILE V CG1 1 +ATOM 23297 C CG2 . ILE P 16 115 ? 17.769 -53.454 -87.368 1.00 49.16 ? 115 ILE V CG2 1 +ATOM 23298 C CD1 . ILE P 16 115 ? 19.935 -55.568 -87.882 1.00 58.24 ? 115 ILE V CD1 1 +ATOM 23299 N N . ALA P 16 116 ? 15.046 -53.881 -89.732 1.00 53.29 ? 116 ALA V N 1 +ATOM 23300 C CA . ALA P 16 116 ? 14.164 -52.860 -90.279 1.00 52.27 ? 116 ALA V CA 1 +ATOM 23301 C C . ALA P 16 116 ? 12.732 -53.050 -89.802 1.00 51.27 ? 116 ALA V C 1 +ATOM 23302 O O . ALA P 16 116 ? 12.062 -52.082 -89.412 1.00 51.15 ? 116 ALA V O 1 +ATOM 23303 C CB . ALA P 16 116 ? 14.227 -52.891 -91.811 1.00 50.95 ? 116 ALA V CB 1 +ATOM 23304 N N . GLY P 16 117 ? 12.243 -54.288 -89.837 1.00 49.68 ? 117 GLY V N 1 +ATOM 23305 C CA . GLY P 16 117 ? 10.886 -54.545 -89.397 1.00 49.95 ? 117 GLY V CA 1 +ATOM 23306 C C . GLY P 16 117 ? 10.677 -54.236 -87.926 1.00 48.89 ? 117 GLY V C 1 +ATOM 23307 O O . GLY P 16 117 ? 9.598 -53.795 -87.527 1.00 57.67 ? 117 GLY V O 1 +ATOM 23308 N N . HIS P 16 118 ? 11.699 -54.480 -87.093 1.00 52.49 ? 118 HIS V N 1 +ATOM 23309 C CA . HIS P 16 118 ? 11.591 -54.152 -85.670 1.00 50.08 ? 118 HIS V CA 1 +ATOM 23310 C C . HIS P 16 118 ? 11.427 -52.645 -85.479 1.00 56.17 ? 118 HIS V C 1 +ATOM 23311 O O . HIS P 16 118 ? 10.563 -52.187 -84.717 1.00 52.19 ? 118 HIS V O 1 +ATOM 23312 C CB . HIS P 16 118 ? 12.820 -54.666 -84.910 1.00 54.63 ? 118 HIS V CB 1 +ATOM 23313 C CG . HIS P 16 118 ? 12.855 -54.250 -83.463 1.00 61.01 ? 118 HIS V CG 1 +ATOM 23314 N ND1 . HIS P 16 118 ? 11.907 -54.655 -82.545 1.00 60.12 ? 118 HIS V ND1 1 +ATOM 23315 C CD2 . HIS P 16 118 ? 13.715 -53.448 -82.782 1.00 55.68 ? 118 HIS V CD2 1 +ATOM 23316 C CE1 . HIS P 16 118 ? 12.179 -54.119 -81.365 1.00 63.66 ? 118 HIS V CE1 1 +ATOM 23317 N NE2 . HIS P 16 118 ? 13.276 -53.390 -81.479 1.00 57.02 ? 118 HIS V NE2 1 +ATOM 23318 N N . ILE P 16 119 ? 12.243 -51.861 -86.191 1.00 50.64 ? 119 ILE V N 1 +ATOM 23319 C CA . ILE P 16 119 ? 12.217 -50.408 -86.071 1.00 52.65 ? 119 ILE V CA 1 +ATOM 23320 C C . ILE P 16 119 ? 10.862 -49.860 -86.505 1.00 55.70 ? 119 ILE V C 1 +ATOM 23321 O O . ILE P 16 119 ? 10.342 -48.919 -85.900 1.00 51.91 ? 119 ILE V O 1 +ATOM 23322 C CB . ILE P 16 119 ? 13.375 -49.806 -86.887 1.00 55.97 ? 119 ILE V CB 1 +ATOM 23323 C CG1 . ILE P 16 119 ? 14.728 -50.173 -86.236 1.00 51.68 ? 119 ILE V CG1 1 +ATOM 23324 C CG2 . ILE P 16 119 ? 13.183 -48.308 -87.080 1.00 46.10 ? 119 ILE V CG2 1 +ATOM 23325 C CD1 . ILE P 16 119 ? 15.947 -49.770 -87.070 1.00 52.75 ? 119 ILE V CD1 1 +ATOM 23326 N N . LEU P 16 120 ? 10.243 -50.468 -87.532 1.00 52.14 ? 120 LEU V N 1 +ATOM 23327 C CA . LEU P 16 120 ? 8.950 -49.973 -88.008 1.00 55.73 ? 120 LEU V CA 1 +ATOM 23328 C C . LEU P 16 120 ? 7.776 -50.442 -87.144 1.00 53.57 ? 120 LEU V C 1 +ATOM 23329 O O . LEU P 16 120 ? 6.765 -49.729 -87.039 1.00 61.50 ? 120 LEU V O 1 +ATOM 23330 C CB . LEU P 16 120 ? 8.748 -50.378 -89.472 1.00 51.19 ? 120 LEU V CB 1 +ATOM 23331 C CG . LEU P 16 120 ? 9.660 -49.632 -90.452 1.00 54.87 ? 120 LEU V CG 1 +ATOM 23332 C CD1 . LEU P 16 120 ? 9.449 -50.064 -91.902 1.00 64.05 ? 120 LEU V CD1 1 +ATOM 23333 C CD2 . LEU P 16 120 ? 9.443 -48.157 -90.310 1.00 46.97 ? 120 LEU V CD2 1 +ATOM 23334 N N . VAL P 16 121 ? 7.885 -51.600 -86.501 1.00 53.34 ? 121 VAL V N 1 +ATOM 23335 C CA . VAL P 16 121 ? 6.781 -52.141 -85.698 1.00 61.93 ? 121 VAL V CA 1 +ATOM 23336 C C . VAL P 16 121 ? 6.759 -51.572 -84.275 1.00 65.29 ? 121 VAL V C 1 +ATOM 23337 O O . VAL P 16 121 ? 5.684 -51.275 -83.733 1.00 56.60 ? 121 VAL V O 1 +ATOM 23338 C CB . VAL P 16 121 ? 6.862 -53.683 -85.681 1.00 54.90 ? 121 VAL V CB 1 +ATOM 23339 C CG1 . VAL P 16 121 ? 5.952 -54.266 -84.587 1.00 52.18 ? 121 VAL V CG1 1 +ATOM 23340 C CG2 . VAL P 16 121 ? 6.504 -54.238 -87.068 1.00 55.84 ? 121 VAL V CG2 1 +ATOM 23341 N N . GLU P 16 122 ? 7.926 -51.434 -83.643 1.00 50.54 ? 122 GLU V N 1 +ATOM 23342 C CA . GLU P 16 122 ? 7.975 -50.989 -82.249 1.00 53.79 ? 122 GLU V CA 1 +ATOM 23343 C C . GLU P 16 122 ? 7.172 -49.728 -81.947 1.00 49.70 ? 122 GLU V C 1 +ATOM 23344 O O . GLU P 16 122 ? 6.466 -49.721 -80.925 1.00 55.04 ? 122 GLU V O 1 +ATOM 23345 C CB . GLU P 16 122 ? 9.435 -50.805 -81.808 1.00 54.27 ? 122 GLU V CB 1 +ATOM 23346 C CG . GLU P 16 122 ? 9.646 -51.136 -80.324 1.00 62.52 ? 122 GLU V CG 1 +ATOM 23347 C CD . GLU P 16 122 ? 9.354 -52.587 -79.991 1.00 60.87 ? 122 GLU V CD 1 +ATOM 23348 O OE1 . GLU P 16 122 ? 9.187 -53.381 -80.925 1.00 57.62 ? 122 GLU V OE1 1 +ATOM 23349 O OE2 . GLU P 16 122 ? 9.302 -52.942 -78.786 1.00 71.85 ? 122 GLU V OE2 1 +ATOM 23350 N N . PRO P 16 123 ? 7.204 -48.659 -82.754 1.00 52.16 ? 123 PRO V N 1 +ATOM 23351 C CA . PRO P 16 123 ? 6.336 -47.508 -82.443 1.00 54.52 ? 123 PRO V CA 1 +ATOM 23352 C C . PRO P 16 123 ? 4.854 -47.848 -82.435 1.00 61.10 ? 123 PRO V C 1 +ATOM 23353 O O . PRO P 16 123 ? 4.094 -47.245 -81.662 1.00 52.77 ? 123 PRO V O 1 +ATOM 23354 C CB . PRO P 16 123 ? 6.689 -46.481 -83.532 1.00 53.34 ? 123 PRO V CB 1 +ATOM 23355 C CG . PRO P 16 123 ? 7.397 -47.229 -84.587 1.00 55.12 ? 123 PRO V CG 1 +ATOM 23356 C CD . PRO P 16 123 ? 8.092 -48.375 -83.891 1.00 57.00 ? 123 PRO V CD 1 +ATOM 23357 N N . LYS P 16 124 ? 4.420 -48.817 -83.253 1.00 56.90 ? 124 LYS V N 1 +ATOM 23358 C CA . LYS P 16 124 ? 3.025 -49.248 -83.234 1.00 55.27 ? 124 LYS V CA 1 +ATOM 23359 C C . LYS P 16 124 ? 2.648 -49.890 -81.910 1.00 52.90 ? 124 LYS V C 1 +ATOM 23360 O O . LYS P 16 124 ? 1.475 -49.867 -81.527 1.00 62.75 ? 124 LYS V O 1 +ATOM 23361 C CB . LYS P 16 124 ? 2.758 -50.220 -84.387 1.00 56.63 ? 124 LYS V CB 1 +ATOM 23362 C CG . LYS P 16 124 ? 2.985 -49.605 -85.780 1.00 63.09 ? 124 LYS V CG 1 +ATOM 23363 C CD . LYS P 16 124 ? 2.852 -50.649 -86.906 1.00 64.06 ? 124 LYS V CD 1 +ATOM 23364 C CE . LYS P 16 124 ? 1.397 -50.848 -87.294 1.00 69.73 ? 124 LYS V CE 1 +ATOM 23365 N NZ . LYS P 16 124 ? 1.210 -51.837 -88.402 1.00 61.34 ? 124 LYS V NZ 1 +ATOM 23366 N N . ILE P 16 125 ? 3.618 -50.446 -81.202 1.00 59.63 ? 125 ILE V N 1 +ATOM 23367 C CA . ILE P 16 125 ? 3.396 -51.046 -79.895 1.00 60.85 ? 125 ILE V CA 1 +ATOM 23368 C C . ILE P 16 125 ? 3.522 -49.969 -78.819 1.00 63.67 ? 125 ILE V C 1 +ATOM 23369 O O . ILE P 16 125 ? 2.567 -49.705 -78.082 1.00 60.84 ? 125 ILE V O 1 +ATOM 23370 C CB . ILE P 16 125 ? 4.390 -52.197 -79.659 1.00 64.37 ? 125 ILE V CB 1 +ATOM 23371 C CG1 . ILE P 16 125 ? 4.223 -53.256 -80.751 1.00 54.09 ? 125 ILE V CG1 1 +ATOM 23372 C CG2 . ILE P 16 125 ? 4.231 -52.789 -78.242 1.00 57.29 ? 125 ILE V CG2 1 +ATOM 23373 C CD1 . ILE P 16 125 ? 5.282 -54.356 -80.691 1.00 53.96 ? 125 ILE V CD1 1 +ATOM 23374 N N . LEU P 16 126 ? 4.687 -49.313 -78.762 1.00 58.28 ? 126 LEU V N 1 +ATOM 23375 C CA . LEU P 16 126 ? 5.079 -48.442 -77.655 1.00 57.00 ? 126 LEU V CA 1 +ATOM 23376 C C . LEU P 16 126 ? 4.559 -47.011 -77.752 1.00 55.45 ? 126 LEU V C 1 +ATOM 23377 O O . LEU P 16 126 ? 4.680 -46.277 -76.777 1.00 57.51 ? 126 LEU V O 1 +ATOM 23378 C CB . LEU P 16 126 ? 6.606 -48.397 -77.524 1.00 45.97 ? 126 LEU V CB 1 +ATOM 23379 C CG . LEU P 16 126 ? 7.312 -49.685 -77.100 1.00 59.60 ? 126 LEU V CG 1 +ATOM 23380 C CD1 . LEU P 16 126 ? 8.815 -49.471 -76.966 1.00 59.86 ? 126 LEU V CD1 1 +ATOM 23381 C CD2 . LEU P 16 126 ? 6.721 -50.250 -75.807 1.00 52.80 ? 126 LEU V CD2 1 +ATOM 23382 N N . GLY P 16 127 ? 4.009 -46.588 -78.886 1.00 56.72 ? 127 GLY V N 1 +ATOM 23383 C CA . GLY P 16 127 ? 3.580 -45.207 -79.018 1.00 54.54 ? 127 GLY V CA 1 +ATOM 23384 C C . GLY P 16 127 ? 4.719 -44.226 -78.757 1.00 68.02 ? 127 GLY V C 1 +ATOM 23385 O O . GLY P 16 127 ? 5.852 -44.403 -79.228 1.00 59.16 ? 127 GLY V O 1 +ATOM 23386 N N . ASP P 16 128 ? 4.420 -43.203 -77.949 1.00 55.19 ? 128 ASP V N 1 +ATOM 23387 C CA . ASP P 16 128 ? 5.382 -42.150 -77.638 1.00 60.11 ? 128 ASP V CA 1 +ATOM 23388 C C . ASP P 16 128 ? 6.629 -42.660 -76.936 1.00 63.19 ? 128 ASP V C 1 +ATOM 23389 O O . ASP P 16 128 ? 7.652 -41.968 -76.949 1.00 55.13 ? 128 ASP V O 1 +ATOM 23390 C CB . ASP P 16 128 ? 4.728 -41.095 -76.752 1.00 65.36 ? 128 ASP V CB 1 +ATOM 23391 C CG . ASP P 16 128 ? 3.699 -40.289 -77.484 1.00 78.11 ? 128 ASP V CG 1 +ATOM 23392 O OD1 . ASP P 16 128 ? 3.856 -40.108 -78.713 1.00 91.49 ? 128 ASP V OD1 1 +ATOM 23393 O OD2 . ASP P 16 128 ? 2.732 -39.842 -76.834 1.00 109.19 ? 128 ASP V OD2 1 +ATOM 23394 N N . LYS P 16 129 ? 6.574 -43.830 -76.301 1.00 55.40 ? 129 LYS V N 1 +ATOM 23395 C CA . LYS P 16 129 ? 7.781 -44.313 -75.640 1.00 66.09 ? 129 LYS V CA 1 +ATOM 23396 C C . LYS P 16 129 ? 8.912 -44.505 -76.636 1.00 64.11 ? 129 LYS V C 1 +ATOM 23397 O O . LYS P 16 129 ? 10.078 -44.304 -76.285 1.00 63.32 ? 129 LYS V O 1 +ATOM 23398 C CB . LYS P 16 129 ? 7.528 -45.622 -74.892 1.00 56.58 ? 129 LYS V CB 1 +ATOM 23399 C CG . LYS P 16 129 ? 6.637 -45.507 -73.680 1.00 54.18 ? 129 LYS V CG 1 +ATOM 23400 C CD . LYS P 16 129 ? 6.639 -46.828 -72.918 1.00 55.69 ? 129 LYS V CD 1 +ATOM 23401 C CE . LYS P 16 129 ? 6.360 -46.631 -71.422 1.00 67.40 ? 129 LYS V CE 1 +ATOM 23402 N NZ . LYS P 16 129 ? 4.952 -46.220 -71.178 1.00 72.50 ? 129 LYS V NZ 1 +ATOM 23403 N N . TRP P 16 130 ? 8.591 -44.869 -77.877 1.00 53.16 ? 130 TRP V N 1 +ATOM 23404 C CA . TRP P 16 130 ? 9.618 -45.105 -78.884 1.00 53.14 ? 130 TRP V CA 1 +ATOM 23405 C C . TRP P 16 130 ? 10.129 -43.772 -79.410 1.00 49.50 ? 130 TRP V C 1 +ATOM 23406 O O . TRP P 16 130 ? 9.367 -42.988 -79.991 1.00 54.61 ? 130 TRP V O 1 +ATOM 23407 C CB . TRP P 16 130 ? 9.063 -45.967 -80.020 1.00 55.90 ? 130 TRP V CB 1 +ATOM 23408 C CG . TRP P 16 130 ? 10.055 -46.271 -81.093 1.00 53.48 ? 130 TRP V CG 1 +ATOM 23409 C CD1 . TRP P 16 130 ? 10.134 -45.694 -82.321 1.00 49.31 ? 130 TRP V CD1 1 +ATOM 23410 C CD2 . TRP P 16 130 ? 11.118 -47.223 -81.023 1.00 46.41 ? 130 TRP V CD2 1 +ATOM 23411 N NE1 . TRP P 16 130 ? 11.175 -46.230 -83.026 1.00 55.67 ? 130 TRP V NE1 1 +ATOM 23412 C CE2 . TRP P 16 130 ? 11.797 -47.176 -82.252 1.00 53.15 ? 130 TRP V CE2 1 +ATOM 23413 C CE3 . TRP P 16 130 ? 11.562 -48.113 -80.035 1.00 46.50 ? 130 TRP V CE3 1 +ATOM 23414 C CZ2 . TRP P 16 130 ? 12.898 -47.998 -82.535 1.00 53.02 ? 130 TRP V CZ2 1 +ATOM 23415 C CZ3 . TRP P 16 130 ? 12.653 -48.904 -80.299 1.00 50.69 ? 130 TRP V CZ3 1 +ATOM 23416 C CH2 . TRP P 16 130 ? 13.310 -48.852 -81.549 1.00 52.05 ? 130 TRP V CH2 1 +ATOM 23417 N N . GLY P 16 131 ? 11.425 -43.522 -79.222 1.00 56.91 ? 131 GLY V N 1 +ATOM 23418 C CA . GLY P 16 131 ? 12.023 -42.236 -79.563 1.00 47.33 ? 131 GLY V CA 1 +ATOM 23419 C C . GLY P 16 131 ? 11.694 -41.098 -78.620 1.00 43.46 ? 131 GLY V C 1 +ATOM 23420 O O . GLY P 16 131 ? 12.112 -39.961 -78.884 1.00 53.28 ? 131 GLY V O 1 +ATOM 23421 N N . GLY P 16 132 ? 10.963 -41.347 -77.539 1.00 52.01 ? 132 GLY V N 1 +ATOM 23422 C CA . GLY P 16 132 ? 10.584 -40.286 -76.627 1.00 50.45 ? 132 GLY V CA 1 +ATOM 23423 C C . GLY P 16 132 ? 11.609 -39.973 -75.552 1.00 53.41 ? 132 GLY V C 1 +ATOM 23424 O O . GLY P 16 132 ? 11.596 -38.875 -74.990 1.00 49.59 ? 132 GLY V O 1 +ATOM 23425 N N . GLY P 16 133 ? 12.496 -40.917 -75.245 1.00 50.74 ? 133 GLY V N 1 +ATOM 23426 C CA . GLY P 16 133 ? 13.480 -40.669 -74.199 1.00 50.55 ? 133 GLY V CA 1 +ATOM 23427 C C . GLY P 16 133 ? 12.923 -40.804 -72.780 1.00 51.80 ? 133 GLY V C 1 +ATOM 23428 O O . GLY P 16 133 ? 11.818 -41.294 -72.545 1.00 47.61 ? 133 GLY V O 1 +ATOM 23429 N N A LYS P 16 134 ? 13.723 -40.317 -71.826 0.40 48.68 ? 134 LYS V N 1 +ATOM 23430 N N B LYS P 16 134 ? 13.731 -40.298 -71.829 0.60 48.69 ? 134 LYS V N 1 +ATOM 23431 C CA A LYS P 16 134 ? 13.471 -40.574 -70.403 0.40 44.43 ? 134 LYS V CA 1 +ATOM 23432 C CA B LYS P 16 134 ? 13.493 -40.544 -70.407 0.60 44.37 ? 134 LYS V CA 1 +ATOM 23433 C C A LYS P 16 134 ? 12.127 -40.022 -69.930 0.40 44.68 ? 134 LYS V C 1 +ATOM 23434 C C B LYS P 16 134 ? 12.141 -40.019 -69.938 0.60 44.64 ? 134 LYS V C 1 +ATOM 23435 O O A LYS P 16 134 ? 11.560 -40.522 -68.949 0.40 47.13 ? 134 LYS V O 1 +ATOM 23436 O O B LYS P 16 134 ? 11.576 -40.548 -68.969 0.60 47.27 ? 134 LYS V O 1 +ATOM 23437 C CB A LYS P 16 134 ? 14.606 -39.994 -69.553 0.40 46.67 ? 134 LYS V CB 1 +ATOM 23438 C CB B LYS P 16 134 ? 14.617 -39.926 -69.564 0.60 46.71 ? 134 LYS V CB 1 +ATOM 23439 C CG A LYS P 16 134 ? 14.651 -38.436 -69.546 0.40 50.66 ? 134 LYS V CG 1 +ATOM 23440 C CG B LYS P 16 134 ? 14.642 -38.374 -69.562 0.60 50.63 ? 134 LYS V CG 1 +ATOM 23441 C CD A LYS P 16 134 ? 15.795 -37.891 -68.671 0.40 47.66 ? 134 LYS V CD 1 +ATOM 23442 C CD B LYS P 16 134 ? 15.751 -37.819 -68.652 0.60 47.58 ? 134 LYS V CD 1 +ATOM 23443 C CE A LYS P 16 134 ? 17.169 -38.066 -69.315 0.40 52.84 ? 134 LYS V CE 1 +ATOM 23444 C CE B LYS P 16 134 ? 17.144 -38.086 -69.214 0.60 52.91 ? 134 LYS V CE 1 +ATOM 23445 N NZ A LYS P 16 134 ? 18.287 -37.605 -68.406 0.40 49.63 ? 134 LYS V NZ 1 +ATOM 23446 N NZ B LYS P 16 134 ? 18.228 -37.534 -68.334 0.60 49.58 ? 134 LYS V NZ 1 +ATOM 23447 N N . VAL P 16 135 ? 11.615 -38.974 -70.585 1.00 41.24 ? 135 VAL V N 1 +ATOM 23448 C CA . VAL P 16 135 ? 10.322 -38.417 -70.177 1.00 43.52 ? 135 VAL V CA 1 +ATOM 23449 C C . VAL P 16 135 ? 9.235 -39.496 -70.180 1.00 52.42 ? 135 VAL V C 1 +ATOM 23450 O O . VAL P 16 135 ? 8.326 -39.468 -69.338 1.00 49.71 ? 135 VAL V O 1 +ATOM 23451 C CB . VAL P 16 135 ? 9.949 -37.211 -71.072 1.00 54.12 ? 135 VAL V CB 1 +ATOM 23452 C CG1 . VAL P 16 135 ? 8.464 -36.841 -70.937 1.00 47.54 ? 135 VAL V CG1 1 +ATOM 23453 C CG2 . VAL P 16 135 ? 10.810 -35.996 -70.743 1.00 45.36 ? 135 VAL V CG2 1 +ATOM 23454 N N . TYR P 16 136 ? 9.350 -40.506 -71.061 1.00 42.20 ? 136 TYR V N 1 +ATOM 23455 C CA . TYR P 16 136 ? 8.319 -41.529 -71.201 1.00 44.01 ? 136 TYR V CA 1 +ATOM 23456 C C . TYR P 16 136 ? 8.677 -42.873 -70.570 1.00 49.37 ? 136 TYR V C 1 +ATOM 23457 O O . TYR P 16 136 ? 7.898 -43.820 -70.705 1.00 55.52 ? 136 TYR V O 1 +ATOM 23458 C CB . TYR P 16 136 ? 7.971 -41.724 -72.691 1.00 44.83 ? 136 TYR V CB 1 +ATOM 23459 C CG . TYR P 16 136 ? 7.421 -40.456 -73.258 1.00 54.50 ? 136 TYR V CG 1 +ATOM 23460 C CD1 . TYR P 16 136 ? 6.104 -40.077 -73.010 1.00 55.18 ? 136 TYR V CD1 1 +ATOM 23461 C CD2 . TYR P 16 136 ? 8.241 -39.581 -73.968 1.00 50.56 ? 136 TYR V CD2 1 +ATOM 23462 C CE1 . TYR P 16 136 ? 5.606 -38.874 -73.491 1.00 62.86 ? 136 TYR V CE1 1 +ATOM 23463 C CE2 . TYR P 16 136 ? 7.758 -38.390 -74.444 1.00 56.87 ? 136 TYR V CE2 1 +ATOM 23464 C CZ . TYR P 16 136 ? 6.441 -38.034 -74.204 1.00 68.89 ? 136 TYR V CZ 1 +ATOM 23465 O OH . TYR P 16 136 ? 5.974 -36.828 -74.682 1.00 68.60 ? 136 TYR V OH 1 +ATOM 23466 N N A TYR P 16 137 ? 9.827 -42.994 -69.919 0.40 46.17 ? 137 TYR V N 1 +ATOM 23467 N N B TYR P 16 137 ? 9.818 -42.976 -69.890 0.60 46.12 ? 137 TYR V N 1 +ATOM 23468 C CA A TYR P 16 137 ? 10.233 -44.250 -69.266 0.40 51.66 ? 137 TYR V CA 1 +ATOM 23469 C CA B TYR P 16 137 ? 10.230 -44.229 -69.242 0.60 51.81 ? 137 TYR V CA 1 +ATOM 23470 C C A TYR P 16 137 ? 9.215 -44.763 -68.255 0.40 51.20 ? 137 TYR V C 1 +ATOM 23471 C C B TYR P 16 137 ? 9.203 -44.700 -68.219 0.60 51.22 ? 137 TYR V C 1 +ATOM 23472 O O A TYR P 16 137 ? 9.048 -45.974 -68.056 0.40 50.96 ? 137 TYR V O 1 +ATOM 23473 O O B TYR P 16 137 ? 9.029 -45.895 -67.956 0.60 51.08 ? 137 TYR V O 1 +ATOM 23474 C CB A TYR P 16 137 ? 11.578 -44.082 -68.556 0.40 46.02 ? 137 TYR V CB 1 +ATOM 23475 C CB B TYR P 16 137 ? 11.590 -44.069 -68.558 0.60 46.04 ? 137 TYR V CB 1 +ATOM 23476 C CG A TYR P 16 137 ? 12.756 -44.095 -69.496 0.40 47.74 ? 137 TYR V CG 1 +ATOM 23477 C CG B TYR P 16 137 ? 12.769 -44.078 -69.508 0.60 47.80 ? 137 TYR V CG 1 +ATOM 23478 C CD1 A TYR P 16 137 ? 12.565 -44.183 -70.876 0.40 46.78 ? 137 TYR V CD1 1 +ATOM 23479 C CD1 B TYR P 16 137 ? 12.577 -44.156 -70.882 0.60 46.71 ? 137 TYR V CD1 1 +ATOM 23480 C CD2 A TYR P 16 137 ? 14.054 -44.029 -69.013 0.40 44.91 ? 137 TYR V CD2 1 +ATOM 23481 C CD2 B TYR P 16 137 ? 14.073 -44.016 -69.030 0.60 44.85 ? 137 TYR V CD2 1 +ATOM 23482 C CE1 A TYR P 16 137 ? 13.631 -44.206 -71.742 0.40 47.63 ? 137 TYR V CE1 1 +ATOM 23483 C CE1 B TYR P 16 137 ? 13.647 -44.177 -71.753 0.60 47.60 ? 137 TYR V CE1 1 +ATOM 23484 C CE2 A TYR P 16 137 ? 15.128 -44.049 -69.874 0.40 48.67 ? 137 TYR V CE2 1 +ATOM 23485 C CE2 B TYR P 16 137 ? 15.154 -44.029 -69.898 0.60 48.60 ? 137 TYR V CE2 1 +ATOM 23486 C CZ A TYR P 16 137 ? 14.913 -44.151 -71.235 0.40 53.74 ? 137 TYR V CZ 1 +ATOM 23487 C CZ B TYR P 16 137 ? 14.932 -44.118 -71.257 0.60 53.87 ? 137 TYR V CZ 1 +ATOM 23488 O OH A TYR P 16 137 ? 15.980 -44.182 -72.092 0.40 52.80 ? 137 TYR V OH 1 +ATOM 23489 O OH B TYR P 16 137 ? 15.994 -44.139 -72.133 0.60 52.83 ? 137 TYR V OH 1 +ATOM 23490 O OXT A TYR P 16 137 ? 8.551 -43.972 -67.600 0.40 48.37 ? 137 TYR V OXT 1 +ATOM 23491 O OXT B TYR P 16 137 ? 8.519 -43.863 -67.636 0.60 48.37 ? 137 TYR V OXT 1 +ATOM 23492 N N . THR Q 17 1 ? -35.537 -51.210 -42.699 1.00 137.08 ? 2 THR X N 1 +ATOM 23493 C CA . THR Q 17 1 ? -35.369 -51.967 -43.934 1.00 99.51 ? 2 THR X CA 1 +ATOM 23494 C C . THR Q 17 1 ? -34.052 -52.722 -43.929 1.00 101.53 ? 2 THR X C 1 +ATOM 23495 O O . THR Q 17 1 ? -33.036 -52.194 -43.469 1.00 104.92 ? 2 THR X O 1 +ATOM 23496 C CB . THR Q 17 1 ? -35.416 -51.053 -45.149 1.00 97.25 ? 2 THR X CB 1 +ATOM 23497 O OG1 . THR Q 17 1 ? -36.570 -50.209 -45.059 1.00 117.11 ? 2 THR X OG1 1 +ATOM 23498 C CG2 . THR Q 17 1 ? -35.490 -51.869 -46.431 1.00 100.33 ? 2 THR X CG2 1 +ATOM 23499 N N . ILE Q 17 2 ? -34.065 -53.955 -44.432 1.00 86.84 ? 3 ILE X N 1 +ATOM 23500 C CA . ILE Q 17 2 ? -32.856 -54.777 -44.486 1.00 83.43 ? 3 ILE X CA 1 +ATOM 23501 C C . ILE Q 17 2 ? -32.191 -54.478 -45.825 1.00 82.27 ? 3 ILE X C 1 +ATOM 23502 O O . ILE Q 17 2 ? -32.529 -55.055 -46.861 1.00 82.43 ? 3 ILE X O 1 +ATOM 23503 C CB . ILE Q 17 2 ? -33.164 -56.258 -44.310 1.00 80.65 ? 3 ILE X CB 1 +ATOM 23504 C CG1 . ILE Q 17 2 ? -34.158 -56.450 -43.171 1.00 77.99 ? 3 ILE X CG1 1 +ATOM 23505 C CG2 . ILE Q 17 2 ? -31.882 -57.020 -44.015 1.00 88.17 ? 3 ILE X CG2 1 +ATOM 23506 C CD1 . ILE Q 17 2 ? -33.721 -55.803 -41.905 1.00 97.75 ? 3 ILE X CD1 1 +ATOM 23507 N N . THR Q 17 3 ? -31.232 -53.558 -45.800 1.00 73.29 ? 4 THR X N 1 +ATOM 23508 C CA . THR Q 17 3 ? -30.475 -53.215 -46.987 1.00 79.35 ? 4 THR X CA 1 +ATOM 23509 C C . THR Q 17 3 ? -29.514 -54.353 -47.296 1.00 56.34 ? 4 THR X C 1 +ATOM 23510 O O . THR Q 17 3 ? -29.291 -55.232 -46.464 1.00 65.90 ? 4 THR X O 1 +ATOM 23511 C CB . THR Q 17 3 ? -29.729 -51.896 -46.771 1.00 73.97 ? 4 THR X CB 1 +ATOM 23512 O OG1 . THR Q 17 3 ? -28.837 -52.033 -45.658 1.00 73.82 ? 4 THR X OG1 1 +ATOM 23513 C CG2 . THR Q 17 3 ? -30.715 -50.794 -46.470 1.00 65.74 ? 4 THR X CG2 1 +ATOM 23514 N N . PRO Q 17 4 ? -28.949 -54.386 -48.501 1.00 63.38 ? 5 PRO X N 1 +ATOM 23515 C CA . PRO Q 17 4 ? -27.927 -55.412 -48.772 1.00 63.38 ? 5 PRO X CA 1 +ATOM 23516 C C . PRO Q 17 4 ? -26.777 -55.365 -47.787 1.00 63.18 ? 5 PRO X C 1 +ATOM 23517 O O . PRO Q 17 4 ? -26.316 -56.420 -47.339 1.00 69.80 ? 5 PRO X O 1 +ATOM 23518 C CB . PRO Q 17 4 ? -27.471 -55.093 -50.207 1.00 69.49 ? 5 PRO X CB 1 +ATOM 23519 C CG . PRO Q 17 4 ? -28.622 -54.363 -50.816 1.00 65.24 ? 5 PRO X CG 1 +ATOM 23520 C CD . PRO Q 17 4 ? -29.273 -53.593 -49.700 1.00 66.70 ? 5 PRO X CD 1 +ATOM 23521 N N . SER Q 17 5 ? -26.318 -54.172 -47.399 1.00 62.58 ? 6 SER X N 1 +ATOM 23522 C CA . SER Q 17 5 ? -25.175 -54.131 -46.494 1.00 68.10 ? 6 SER X CA 1 +ATOM 23523 C C . SER Q 17 5 ? -25.557 -54.556 -45.075 1.00 57.91 ? 6 SER X C 1 +ATOM 23524 O O . SER Q 17 5 ? -24.733 -55.157 -44.379 1.00 60.55 ? 6 SER X O 1 +ATOM 23525 C CB . SER Q 17 5 ? -24.508 -52.745 -46.523 1.00 62.50 ? 6 SER X CB 1 +ATOM 23526 O OG . SER Q 17 5 ? -25.285 -51.727 -45.920 1.00 65.51 ? 6 SER X OG 1 +ATOM 23527 N N . LEU Q 17 6 ? -26.792 -54.303 -44.635 1.00 56.11 ? 7 LEU X N 1 +ATOM 23528 C CA . LEU Q 17 6 ? -27.200 -54.807 -43.322 1.00 58.03 ? 7 LEU X CA 1 +ATOM 23529 C C . LEU Q 17 6 ? -27.259 -56.333 -43.320 1.00 72.98 ? 7 LEU X C 1 +ATOM 23530 O O . LEU Q 17 6 ? -26.878 -56.980 -42.335 1.00 69.69 ? 7 LEU X O 1 +ATOM 23531 C CB . LEU Q 17 6 ? -28.545 -54.205 -42.917 1.00 61.80 ? 7 LEU X CB 1 +ATOM 23532 C CG . LEU Q 17 6 ? -29.165 -54.559 -41.559 1.00 71.67 ? 7 LEU X CG 1 +ATOM 23533 C CD1 . LEU Q 17 6 ? -28.179 -54.364 -40.416 1.00 68.01 ? 7 LEU X CD1 1 +ATOM 23534 C CD2 . LEU Q 17 6 ? -30.420 -53.719 -41.317 1.00 62.57 ? 7 LEU X CD2 1 +ATOM 23535 N N . LYS Q 17 7 ? -27.723 -56.919 -44.423 1.00 62.13 ? 8 LYS X N 1 +ATOM 23536 C CA . LYS Q 17 7 ? -27.640 -58.363 -44.604 1.00 68.11 ? 8 LYS X CA 1 +ATOM 23537 C C . LYS Q 17 7 ? -26.191 -58.836 -44.533 1.00 63.61 ? 8 LYS X C 1 +ATOM 23538 O O . LYS Q 17 7 ? -25.873 -59.814 -43.839 1.00 68.67 ? 8 LYS X O 1 +ATOM 23539 C CB . LYS Q 17 7 ? -28.281 -58.737 -45.949 1.00 63.81 ? 8 LYS X CB 1 +ATOM 23540 C CG . LYS Q 17 7 ? -28.357 -60.224 -46.261 1.00 88.15 ? 8 LYS X CG 1 +ATOM 23541 C CD . LYS Q 17 7 ? -28.879 -60.450 -47.684 1.00 107.25 ? 8 LYS X CD 1 +ATOM 23542 C CE . LYS Q 17 7 ? -28.861 -61.927 -48.076 1.00 126.22 ? 8 LYS X CE 1 +ATOM 23543 N NZ . LYS Q 17 7 ? -29.301 -62.138 -49.491 1.00 137.60 ? 8 LYS X NZ 1 +ATOM 23544 N N . GLY Q 17 8 ? -25.292 -58.158 -45.258 1.00 68.00 ? 9 GLY X N 1 +ATOM 23545 C CA . GLY Q 17 8 ? -23.881 -58.496 -45.171 1.00 58.15 ? 9 GLY X CA 1 +ATOM 23546 C C . GLY Q 17 8 ? -23.332 -58.353 -43.767 1.00 58.77 ? 9 GLY X C 1 +ATOM 23547 O O . GLY Q 17 8 ? -22.488 -59.147 -43.340 1.00 57.75 ? 9 GLY X O 1 +ATOM 23548 N N . PHE Q 17 9 ? -23.815 -57.356 -43.024 1.00 55.65 ? 10 PHE X N 1 +ATOM 23549 C CA . PHE Q 17 9 ? -23.412 -57.220 -41.629 1.00 68.08 ? 10 PHE X CA 1 +ATOM 23550 C C . PHE Q 17 9 ? -23.788 -58.466 -40.827 1.00 67.83 ? 10 PHE X C 1 +ATOM 23551 O O . PHE Q 17 9 ? -22.962 -59.021 -40.093 1.00 63.32 ? 10 PHE X O 1 +ATOM 23552 C CB . PHE Q 17 9 ? -24.036 -55.962 -41.020 1.00 57.54 ? 10 PHE X CB 1 +ATOM 23553 C CG . PHE Q 17 9 ? -23.586 -55.688 -39.619 1.00 64.41 ? 10 PHE X CG 1 +ATOM 23554 C CD1 . PHE Q 17 9 ? -22.391 -55.023 -39.381 1.00 73.06 ? 10 PHE X CD1 1 +ATOM 23555 C CD2 . PHE Q 17 9 ? -24.337 -56.115 -38.535 1.00 66.53 ? 10 PHE X CD2 1 +ATOM 23556 C CE1 . PHE Q 17 9 ? -21.960 -54.776 -38.089 1.00 70.02 ? 10 PHE X CE1 1 +ATOM 23557 C CE2 . PHE Q 17 9 ? -23.912 -55.880 -37.240 1.00 65.77 ? 10 PHE X CE2 1 +ATOM 23558 C CZ . PHE Q 17 9 ? -22.724 -55.211 -37.014 1.00 75.47 ? 10 PHE X CZ 1 +ATOM 23559 N N . PHE Q 17 10 ? -25.024 -58.945 -40.983 1.00 70.59 ? 11 PHE X N 1 +ATOM 23560 C CA . PHE Q 17 10 ? -25.434 -60.133 -40.237 1.00 77.42 ? 11 PHE X CA 1 +ATOM 23561 C C . PHE Q 17 10 ? -24.635 -61.359 -40.658 1.00 65.58 ? 11 PHE X C 1 +ATOM 23562 O O . PHE Q 17 10 ? -24.281 -62.189 -39.814 1.00 66.71 ? 11 PHE X O 1 +ATOM 23563 C CB . PHE Q 17 10 ? -26.929 -60.370 -40.404 1.00 70.65 ? 11 PHE X CB 1 +ATOM 23564 C CG . PHE Q 17 10 ? -27.774 -59.344 -39.711 1.00 76.31 ? 11 PHE X CG 1 +ATOM 23565 C CD1 . PHE Q 17 10 ? -27.572 -59.064 -38.368 1.00 84.98 ? 11 PHE X CD1 1 +ATOM 23566 C CD2 . PHE Q 17 10 ? -28.755 -58.651 -40.396 1.00 70.40 ? 11 PHE X CD2 1 +ATOM 23567 C CE1 . PHE Q 17 10 ? -28.342 -58.120 -37.717 1.00 76.30 ? 11 PHE X CE1 1 +ATOM 23568 C CE2 . PHE Q 17 10 ? -29.535 -57.705 -39.749 1.00 69.28 ? 11 PHE X CE2 1 +ATOM 23569 C CZ . PHE Q 17 10 ? -29.325 -57.437 -38.414 1.00 74.05 ? 11 PHE X CZ 1 +ATOM 23570 N N . ILE Q 17 11 ? -24.319 -61.480 -41.948 1.00 66.31 ? 12 ILE X N 1 +ATOM 23571 C CA . ILE Q 17 11 ? -23.495 -62.603 -42.388 1.00 61.60 ? 12 ILE X CA 1 +ATOM 23572 C C . ILE Q 17 11 ? -22.118 -62.530 -41.743 1.00 65.98 ? 12 ILE X C 1 +ATOM 23573 O O . ILE Q 17 11 ? -21.554 -63.554 -41.326 1.00 67.72 ? 12 ILE X O 1 +ATOM 23574 C CB . ILE Q 17 11 ? -23.398 -62.627 -43.922 1.00 69.18 ? 12 ILE X CB 1 +ATOM 23575 C CG1 . ILE Q 17 11 ? -24.773 -62.873 -44.539 1.00 72.28 ? 12 ILE X CG1 1 +ATOM 23576 C CG2 . ILE Q 17 11 ? -22.413 -63.683 -44.382 1.00 61.07 ? 12 ILE X CG2 1 +ATOM 23577 C CD1 . ILE Q 17 11 ? -24.780 -62.680 -46.036 1.00 82.00 ? 12 ILE X CD1 1 +ATOM 23578 N N . GLY Q 17 12 ? -21.550 -61.320 -41.658 1.00 68.26 ? 13 GLY X N 1 +ATOM 23579 C CA . GLY Q 17 12 ? -20.300 -61.152 -40.933 1.00 57.76 ? 13 GLY X CA 1 +ATOM 23580 C C . GLY Q 17 12 ? -20.417 -61.561 -39.478 1.00 58.96 ? 13 GLY X C 1 +ATOM 23581 O O . GLY Q 17 12 ? -19.547 -62.254 -38.939 1.00 62.08 ? 13 GLY X O 1 +ATOM 23582 N N . LEU Q 17 13 ? -21.505 -61.155 -38.823 1.00 55.93 ? 14 LEU X N 1 +ATOM 23583 C CA . LEU Q 17 13 ? -21.711 -61.539 -37.432 1.00 59.21 ? 14 LEU X CA 1 +ATOM 23584 C C . LEU Q 17 13 ? -21.812 -63.064 -37.271 1.00 73.49 ? 14 LEU X C 1 +ATOM 23585 O O . LEU Q 17 13 ? -21.108 -63.656 -36.442 1.00 69.44 ? 14 LEU X O 1 +ATOM 23586 C CB . LEU Q 17 13 ? -22.956 -60.837 -36.896 1.00 75.76 ? 14 LEU X CB 1 +ATOM 23587 C CG . LEU Q 17 13 ? -22.825 -60.046 -35.594 1.00 82.28 ? 14 LEU X CG 1 +ATOM 23588 C CD1 . LEU Q 17 13 ? -21.737 -58.985 -35.698 1.00 69.55 ? 14 LEU X CD1 1 +ATOM 23589 C CD2 . LEU Q 17 13 ? -24.160 -59.411 -35.256 1.00 82.02 ? 14 LEU X CD2 1 +ATOM 23590 N N A LEU Q 17 14 ? -22.684 -63.720 -38.068 0.50 68.80 ? 15 LEU X N 1 +ATOM 23591 N N B LEU Q 17 14 ? -22.674 -63.711 -38.052 0.50 68.78 ? 15 LEU X N 1 +ATOM 23592 C CA A LEU Q 17 14 ? -22.861 -65.167 -37.973 0.50 63.47 ? 15 LEU X CA 1 +ATOM 23593 C CA B LEU Q 17 14 ? -22.828 -65.154 -37.916 0.50 63.38 ? 15 LEU X CA 1 +ATOM 23594 C C A LEU Q 17 14 ? -21.560 -65.912 -38.257 0.50 70.04 ? 15 LEU X C 1 +ATOM 23595 C C B LEU Q 17 14 ? -21.522 -65.884 -38.217 0.50 69.96 ? 15 LEU X C 1 +ATOM 23596 O O A LEU Q 17 14 ? -21.212 -66.857 -37.541 0.50 68.75 ? 15 LEU X O 1 +ATOM 23597 O O B LEU Q 17 14 ? -21.141 -66.804 -37.485 0.50 68.63 ? 15 LEU X O 1 +ATOM 23598 C CB A LEU Q 17 14 ? -23.959 -65.617 -38.939 0.50 72.00 ? 15 LEU X CB 1 +ATOM 23599 C CB B LEU Q 17 14 ? -23.957 -65.640 -38.822 0.50 72.01 ? 15 LEU X CB 1 +ATOM 23600 C CG A LEU Q 17 14 ? -24.289 -67.110 -39.043 0.50 73.59 ? 15 LEU X CG 1 +ATOM 23601 C CG B LEU Q 17 14 ? -25.349 -65.291 -38.292 0.50 65.36 ? 15 LEU X CG 1 +ATOM 23602 C CD1 A LEU Q 17 14 ? -24.868 -67.628 -37.740 0.50 61.52 ? 15 LEU X CD1 1 +ATOM 23603 C CD1 B LEU Q 17 14 ? -26.420 -65.680 -39.295 0.50 76.65 ? 15 LEU X CD1 1 +ATOM 23604 C CD2 A LEU Q 17 14 ? -25.254 -67.351 -40.195 0.50 78.27 ? 15 LEU X CD2 1 +ATOM 23605 C CD2 B LEU Q 17 14 ? -25.579 -65.993 -36.972 0.50 77.80 ? 15 LEU X CD2 1 +ATOM 23606 N N . SER Q 17 15 ? -20.812 -65.478 -39.277 1.00 64.63 ? 16 SER X N 1 +ATOM 23607 C CA . SER Q 17 15 ? -19.537 -66.119 -39.598 1.00 60.57 ? 16 SER X CA 1 +ATOM 23608 C C . SER Q 17 15 ? -18.562 -66.050 -38.433 1.00 63.99 ? 16 SER X C 1 +ATOM 23609 O O . SER Q 17 15 ? -17.884 -67.036 -38.121 1.00 67.66 ? 16 SER X O 1 +ATOM 23610 C CB . SER Q 17 15 ? -18.904 -65.469 -40.824 1.00 60.38 ? 16 SER X CB 1 +ATOM 23611 O OG . SER Q 17 15 ? -19.675 -65.707 -41.975 1.00 66.42 ? 16 SER X OG 1 +ATOM 23612 N N . GLY Q 17 16 ? -18.469 -64.893 -37.782 1.00 63.75 ? 17 GLY X N 1 +ATOM 23613 C CA . GLY Q 17 16 ? -17.524 -64.768 -36.692 1.00 60.20 ? 17 GLY X CA 1 +ATOM 23614 C C . GLY Q 17 16 ? -17.931 -65.599 -35.497 1.00 64.85 ? 17 GLY X C 1 +ATOM 23615 O O . GLY Q 17 16 ? -17.087 -66.215 -34.840 1.00 63.99 ? 17 GLY X O 1 +ATOM 23616 N N . ALA Q 17 17 ? -19.230 -65.622 -35.198 1.00 66.59 ? 18 ALA X N 1 +ATOM 23617 C CA . ALA Q 17 17 ? -19.733 -66.442 -34.103 1.00 66.64 ? 18 ALA X CA 1 +ATOM 23618 C C . ALA Q 17 17 ? -19.463 -67.918 -34.361 1.00 60.31 ? 18 ALA X C 1 +ATOM 23619 O O . ALA Q 17 17 ? -19.005 -68.644 -33.471 1.00 71.32 ? 18 ALA X O 1 +ATOM 23620 C CB . ALA Q 17 17 ? -21.227 -66.189 -33.910 1.00 63.36 ? 18 ALA X CB 1 +ATOM 23621 N N . VAL Q 17 18 ? -19.710 -68.375 -35.586 1.00 64.34 ? 19 VAL X N 1 +ATOM 23622 C CA . VAL Q 17 18 ? -19.432 -69.767 -35.917 1.00 66.67 ? 19 VAL X CA 1 +ATOM 23623 C C . VAL Q 17 18 ? -17.950 -70.074 -35.764 1.00 70.30 ? 19 VAL X C 1 +ATOM 23624 O O . VAL Q 17 18 ? -17.575 -71.126 -35.236 1.00 70.76 ? 19 VAL X O 1 +ATOM 23625 C CB . VAL Q 17 18 ? -19.934 -70.082 -37.334 1.00 69.91 ? 19 VAL X CB 1 +ATOM 23626 C CG1 . VAL Q 17 18 ? -19.362 -71.400 -37.804 1.00 59.24 ? 19 VAL X CG1 1 +ATOM 23627 C CG2 . VAL Q 17 18 ? -21.448 -70.106 -37.337 1.00 67.02 ? 19 VAL X CG2 1 +ATOM 23628 N N . VAL Q 17 19 ? -17.082 -69.168 -36.219 1.00 66.84 ? 20 VAL X N 1 +ATOM 23629 C CA . VAL Q 17 19 ? -15.646 -69.430 -36.141 1.00 67.38 ? 20 VAL X CA 1 +ATOM 23630 C C . VAL Q 17 19 ? -15.190 -69.472 -34.685 1.00 75.88 ? 20 VAL X C 1 +ATOM 23631 O O . VAL Q 17 19 ? -14.441 -70.371 -34.277 1.00 66.68 ? 20 VAL X O 1 +ATOM 23632 C CB . VAL Q 17 19 ? -14.862 -68.387 -36.967 1.00 78.53 ? 20 VAL X CB 1 +ATOM 23633 C CG1 . VAL Q 17 19 ? -13.374 -68.471 -36.686 1.00 73.98 ? 20 VAL X CG1 1 +ATOM 23634 C CG2 . VAL Q 17 19 ? -15.117 -68.585 -38.444 1.00 58.37 ? 20 VAL X CG2 1 +ATOM 23635 N N . LEU Q 17 20 ? -15.664 -68.529 -33.869 1.00 64.45 ? 21 LEU X N 1 +ATOM 23636 C CA . LEU Q 17 20 ? -15.316 -68.543 -32.450 1.00 73.27 ? 21 LEU X CA 1 +ATOM 23637 C C . LEU Q 17 20 ? -15.950 -69.727 -31.734 1.00 64.80 ? 21 LEU X C 1 +ATOM 23638 O O . LEU Q 17 20 ? -15.326 -70.323 -30.845 1.00 75.37 ? 21 LEU X O 1 +ATOM 23639 C CB . LEU Q 17 20 ? -15.745 -67.235 -31.783 1.00 75.63 ? 21 LEU X CB 1 +ATOM 23640 C CG . LEU Q 17 20 ? -15.083 -65.986 -32.355 1.00 88.76 ? 21 LEU X CG 1 +ATOM 23641 C CD1 . LEU Q 17 20 ? -15.530 -64.733 -31.609 1.00 99.09 ? 21 LEU X CD1 1 +ATOM 23642 C CD2 . LEU Q 17 20 ? -13.567 -66.144 -32.319 1.00 81.03 ? 21 LEU X CD2 1 +ATOM 23643 N N . GLY Q 17 21 ? -17.196 -70.064 -32.089 1.00 71.42 ? 22 GLY X N 1 +ATOM 23644 C CA . GLY Q 17 21 ? -17.870 -71.179 -31.442 1.00 66.07 ? 22 GLY X CA 1 +ATOM 23645 C C . GLY Q 17 21 ? -17.159 -72.499 -31.661 1.00 83.70 ? 22 GLY X C 1 +ATOM 23646 O O . GLY Q 17 21 ? -16.850 -73.217 -30.703 1.00 77.81 ? 22 GLY X O 1 +ATOM 23647 N N . LEU Q 17 22 ? -16.864 -72.824 -32.925 1.00 64.37 ? 23 LEU X N 1 +ATOM 23648 C CA . LEU Q 17 22 ? -16.174 -74.075 -33.222 1.00 82.18 ? 23 LEU X CA 1 +ATOM 23649 C C . LEU Q 17 22 ? -14.814 -74.118 -32.548 1.00 74.90 ? 23 LEU X C 1 +ATOM 23650 O O . LEU Q 17 22 ? -14.417 -75.154 -32.003 1.00 79.45 ? 23 LEU X O 1 +ATOM 23651 C CB . LEU Q 17 22 ? -16.024 -74.254 -34.737 1.00 68.31 ? 23 LEU X CB 1 +ATOM 23652 C CG . LEU Q 17 22 ? -17.325 -74.335 -35.529 1.00 92.81 ? 23 LEU X CG 1 +ATOM 23653 C CD1 . LEU Q 17 22 ? -17.077 -74.901 -36.920 1.00 97.83 ? 23 LEU X CD1 1 +ATOM 23654 C CD2 . LEU Q 17 22 ? -18.376 -75.152 -34.786 1.00 92.05 ? 23 LEU X CD2 1 +ATOM 23655 N N . THR Q 17 23 ? -14.096 -72.994 -32.567 1.00 65.96 ? 24 THR X N 1 +ATOM 23656 C CA . THR Q 17 23 ? -12.770 -72.937 -31.966 1.00 79.97 ? 24 THR X CA 1 +ATOM 23657 C C . THR Q 17 23 ? -12.821 -73.306 -30.492 1.00 68.71 ? 24 THR X C 1 +ATOM 23658 O O . THR Q 17 23 ? -12.019 -74.116 -30.013 1.00 68.84 ? 24 THR X O 1 +ATOM 23659 C CB . THR Q 17 23 ? -12.185 -71.539 -32.158 1.00 71.75 ? 24 THR X CB 1 +ATOM 23660 O OG1 . THR Q 17 23 ? -11.963 -71.321 -33.553 1.00 75.69 ? 24 THR X OG1 1 +ATOM 23661 C CG2 . THR Q 17 23 ? -10.866 -71.391 -31.407 1.00 67.05 ? 24 THR X CG2 1 +ATOM 23662 N N . PHE Q 17 24 ? -13.766 -72.727 -29.754 1.00 66.30 ? 25 PHE X N 1 +ATOM 23663 C CA . PHE Q 17 24 ? -13.836 -73.017 -28.330 1.00 71.71 ? 25 PHE X CA 1 +ATOM 23664 C C . PHE Q 17 24 ? -14.416 -74.400 -28.074 1.00 78.88 ? 25 PHE X C 1 +ATOM 23665 O O . PHE Q 17 24 ? -13.984 -75.091 -27.144 1.00 81.08 ? 25 PHE X O 1 +ATOM 23666 C CB . PHE Q 17 24 ? -14.634 -71.932 -27.618 1.00 69.45 ? 25 PHE X CB 1 +ATOM 23667 C CG . PHE Q 17 24 ? -13.796 -70.766 -27.195 1.00 69.59 ? 25 PHE X CG 1 +ATOM 23668 C CD1 . PHE Q 17 24 ? -13.074 -70.810 -26.011 1.00 83.40 ? 25 PHE X CD1 1 +ATOM 23669 C CD2 . PHE Q 17 24 ? -13.714 -69.632 -27.984 1.00 78.25 ? 25 PHE X CD2 1 +ATOM 23670 C CE1 . PHE Q 17 24 ? -12.291 -69.735 -25.615 1.00 80.75 ? 25 PHE X CE1 1 +ATOM 23671 C CE2 . PHE Q 17 24 ? -12.935 -68.556 -27.591 1.00 78.27 ? 25 PHE X CE2 1 +ATOM 23672 C CZ . PHE Q 17 24 ? -12.222 -68.612 -26.403 1.00 74.44 ? 25 PHE X CZ 1 +ATOM 23673 N N . ALA Q 17 25 ? -15.381 -74.825 -28.897 1.00 75.55 ? 26 ALA X N 1 +ATOM 23674 C CA . ALA Q 17 25 ? -15.890 -76.189 -28.817 1.00 72.19 ? 26 ALA X CA 1 +ATOM 23675 C C . ALA Q 17 25 ? -14.757 -77.198 -28.925 1.00 69.50 ? 26 ALA X C 1 +ATOM 23676 O O . ALA Q 17 25 ? -14.623 -78.093 -28.087 1.00 75.15 ? 26 ALA X O 1 +ATOM 23677 C CB . ALA Q 17 25 ? -16.925 -76.424 -29.915 1.00 66.41 ? 26 ALA X CB 1 +ATOM 23678 N N . VAL Q 17 26 ? -13.914 -77.058 -29.944 1.00 72.60 ? 27 VAL X N 1 +ATOM 23679 C CA . VAL Q 17 26 ? -12.815 -78.003 -30.100 1.00 69.44 ? 27 VAL X CA 1 +ATOM 23680 C C . VAL Q 17 26 ? -11.846 -77.901 -28.926 1.00 76.61 ? 27 VAL X C 1 +ATOM 23681 O O . VAL Q 17 26 ? -11.369 -78.920 -28.412 1.00 73.84 ? 27 VAL X O 1 +ATOM 23682 C CB . VAL Q 17 26 ? -12.109 -77.782 -31.446 1.00 67.09 ? 27 VAL X CB 1 +ATOM 23683 C CG1 . VAL Q 17 26 ? -10.844 -78.612 -31.519 1.00 75.63 ? 27 VAL X CG1 1 +ATOM 23684 C CG2 . VAL Q 17 26 ? -13.052 -78.137 -32.588 1.00 66.56 ? 27 VAL X CG2 1 +ATOM 23685 N N . LEU Q 17 27 ? -11.554 -76.675 -28.471 1.00 66.81 ? 28 LEU X N 1 +ATOM 23686 C CA . LEU Q 17 27 ? -10.573 -76.493 -27.402 1.00 68.35 ? 28 LEU X CA 1 +ATOM 23687 C C . LEU Q 17 27 ? -11.076 -77.066 -26.087 1.00 62.58 ? 28 LEU X C 1 +ATOM 23688 O O . LEU Q 17 27 ? -10.319 -77.705 -25.346 1.00 64.29 ? 28 LEU X O 1 +ATOM 23689 C CB . LEU Q 17 27 ? -10.221 -75.013 -27.234 1.00 56.76 ? 28 LEU X CB 1 +ATOM 23690 C CG . LEU Q 17 27 ? -9.347 -74.434 -28.352 1.00 77.39 ? 28 LEU X CG 1 +ATOM 23691 C CD1 . LEU Q 17 27 ? -9.002 -72.954 -28.110 1.00 59.41 ? 28 LEU X CD1 1 +ATOM 23692 C CD2 . LEU Q 17 27 ? -8.090 -75.275 -28.509 1.00 63.61 ? 28 LEU X CD2 1 +ATOM 23693 N N . ILE Q 17 28 ? -12.338 -76.802 -25.756 1.00 66.16 ? 29 ILE X N 1 +ATOM 23694 C CA . ILE Q 17 28 ? -12.905 -77.331 -24.522 1.00 72.43 ? 29 ILE X CA 1 +ATOM 23695 C C . ILE Q 17 28 ? -12.908 -78.853 -24.563 1.00 71.43 ? 29 ILE X C 1 +ATOM 23696 O O . ILE Q 17 28 ? -12.467 -79.519 -23.621 1.00 67.69 ? 29 ILE X O 1 +ATOM 23697 C CB . ILE Q 17 28 ? -14.315 -76.758 -24.299 1.00 78.29 ? 29 ILE X CB 1 +ATOM 23698 C CG1 . ILE Q 17 28 ? -14.212 -75.269 -23.930 1.00 76.92 ? 29 ILE X CG1 1 +ATOM 23699 C CG2 . ILE Q 17 28 ? -15.038 -77.564 -23.234 1.00 70.37 ? 29 ILE X CG2 1 +ATOM 23700 C CD1 . ILE Q 17 28 ? -15.545 -74.568 -23.732 1.00 74.21 ? 29 ILE X CD1 1 +ATOM 23701 N N . ALA Q 17 29 ? -13.359 -79.417 -25.688 1.00 70.00 ? 30 ALA X N 1 +ATOM 23702 C CA . ALA Q 17 29 ? -13.306 -80.857 -25.911 1.00 69.97 ? 30 ALA X CA 1 +ATOM 23703 C C . ALA Q 17 29 ? -11.929 -81.418 -25.580 1.00 73.06 ? 30 ALA X C 1 +ATOM 23704 O O . ALA Q 17 29 ? -11.793 -82.294 -24.718 1.00 75.65 ? 30 ALA X O 1 +ATOM 23705 C CB . ALA Q 17 29 ? -13.686 -81.168 -27.362 1.00 65.49 ? 30 ALA X CB 1 +ATOM 23706 N N . ILE Q 17 30 ? -10.889 -80.894 -26.235 1.00 70.28 ? 31 ILE X N 1 +ATOM 23707 C CA . ILE Q 17 30 ? -9.559 -81.484 -26.103 1.00 68.27 ? 31 ILE X CA 1 +ATOM 23708 C C . ILE Q 17 30 ? -9.025 -81.297 -24.692 1.00 69.36 ? 31 ILE X C 1 +ATOM 23709 O O . ILE Q 17 30 ? -8.337 -82.174 -24.154 1.00 69.53 ? 31 ILE X O 1 +ATOM 23710 C CB . ILE Q 17 30 ? -8.594 -80.899 -27.148 1.00 78.35 ? 31 ILE X CB 1 +ATOM 23711 C CG1 . ILE Q 17 30 ? -9.111 -81.167 -28.562 1.00 88.60 ? 31 ILE X CG1 1 +ATOM 23712 C CG2 . ILE Q 17 30 ? -7.199 -81.501 -26.991 1.00 69.32 ? 31 ILE X CG2 1 +ATOM 23713 C CD1 . ILE Q 17 30 ? -8.225 -80.580 -29.634 1.00 99.41 ? 31 ILE X CD1 1 +ATOM 23714 N N . SER Q 17 31 ? -9.320 -80.147 -24.069 1.00 75.37 ? 32 SER X N 1 +ATOM 23715 C CA . SER Q 17 31 ? -8.878 -79.927 -22.696 1.00 67.91 ? 32 SER X CA 1 +ATOM 23716 C C . SER Q 17 31 ? -9.499 -80.946 -21.744 1.00 74.52 ? 32 SER X C 1 +ATOM 23717 O O . SER Q 17 31 ? -8.871 -81.327 -20.750 1.00 61.78 ? 32 SER X O 1 +ATOM 23718 C CB . SER Q 17 31 ? -9.212 -78.503 -22.246 1.00 64.25 ? 32 SER X CB 1 +ATOM 23719 O OG . SER Q 17 31 ? -10.608 -78.291 -22.098 1.00 69.78 ? 32 SER X OG 1 +ATOM 23720 N N . GLN Q 17 32 ? -10.722 -81.400 -22.042 1.00 66.38 ? 33 GLN X N 1 +ATOM 23721 C CA . GLN Q 17 32 ? -11.385 -82.393 -21.208 1.00 83.98 ? 33 GLN X CA 1 +ATOM 23722 C C . GLN Q 17 32 ? -10.811 -83.793 -21.419 1.00 74.06 ? 33 GLN X C 1 +ATOM 23723 O O . GLN Q 17 32 ? -10.820 -84.606 -20.491 1.00 84.90 ? 33 GLN X O 1 +ATOM 23724 C CB . GLN Q 17 32 ? -12.885 -82.392 -21.493 1.00 78.82 ? 33 GLN X CB 1 +ATOM 23725 C CG . GLN Q 17 32 ? -13.572 -81.083 -21.172 1.00 83.19 ? 33 GLN X CG 1 +ATOM 23726 C CD . GLN Q 17 32 ? -13.926 -80.951 -19.710 1.00 82.45 ? 33 GLN X CD 1 +ATOM 23727 O OE1 . GLN Q 17 32 ? -13.618 -81.826 -18.907 1.00 102.81 ? 33 GLN X OE1 1 +ATOM 23728 N NE2 . GLN Q 17 32 ? -14.587 -79.856 -19.356 1.00 93.59 ? 33 GLN X NE2 1 +ATOM 23729 N N . ILE Q 17 33 ? -10.296 -84.088 -22.611 1.00 74.25 ? 34 ILE X N 1 +ATOM 23730 C CA . ILE Q 17 33 ? -9.764 -85.417 -22.881 1.00 78.55 ? 34 ILE X CA 1 +ATOM 23731 C C . ILE Q 17 33 ? -8.352 -85.559 -22.333 1.00 84.80 ? 34 ILE X C 1 +ATOM 23732 O O . ILE Q 17 33 ? -8.016 -86.575 -21.713 1.00 94.94 ? 34 ILE X O 1 +ATOM 23733 C CB . ILE Q 17 33 ? -9.809 -85.709 -24.392 1.00 87.91 ? 34 ILE X CB 1 +ATOM 23734 C CG1 . ILE Q 17 33 ? -11.250 -85.741 -24.885 1.00 81.05 ? 34 ILE X CG1 1 +ATOM 23735 C CG2 . ILE Q 17 33 ? -9.109 -87.023 -24.708 1.00 84.76 ? 34 ILE X CG2 1 +ATOM 23736 C CD1 . ILE Q 17 33 ? -11.361 -85.967 -26.370 1.00 92.71 ? 34 ILE X CD1 1 +ATOM 23737 N N . ASP Q 17 34 ? -7.503 -84.556 -22.550 1.00 76.57 ? 35 ASP X N 1 +ATOM 23738 C CA . ASP Q 17 34 ? -6.082 -84.630 -22.202 1.00 78.39 ? 35 ASP X CA 1 +ATOM 23739 C C . ASP Q 17 34 ? -5.831 -83.708 -21.010 1.00 83.44 ? 35 ASP X C 1 +ATOM 23740 O O . ASP Q 17 34 ? -5.337 -82.586 -21.150 1.00 87.67 ? 35 ASP X O 1 +ATOM 23741 C CB . ASP Q 17 34 ? -5.206 -84.259 -23.412 1.00 72.66 ? 35 ASP X CB 1 +ATOM 23742 C CG . ASP Q 17 34 ? -3.735 -84.559 -23.185 1.00 87.88 ? 35 ASP X CG 1 +ATOM 23743 O OD1 . ASP Q 17 34 ? -3.389 -85.089 -22.107 1.00 94.99 ? 35 ASP X OD1 1 +ATOM 23744 O OD2 . ASP Q 17 34 ? -2.920 -84.274 -24.084 1.00 85.85 ? 35 ASP X OD2 1 +ATOM 23745 N N . LYS Q 17 35 ? -6.188 -84.188 -19.827 1.00 80.88 ? 36 LYS X N 1 +ATOM 23746 C CA . LYS Q 17 35 ? -6.012 -83.422 -18.607 1.00 69.97 ? 36 LYS X CA 1 +ATOM 23747 C C . LYS Q 17 35 ? -4.599 -83.590 -18.058 1.00 84.45 ? 36 LYS X C 1 +ATOM 23748 O O . LYS Q 17 35 ? -3.872 -84.525 -18.402 1.00 85.09 ? 36 LYS X O 1 +ATOM 23749 C CB . LYS Q 17 35 ? -7.029 -83.842 -17.551 1.00 73.24 ? 36 LYS X CB 1 +ATOM 23750 C CG . LYS Q 17 35 ? -8.475 -83.634 -17.938 1.00 77.48 ? 36 LYS X CG 1 +ATOM 23751 C CD . LYS Q 17 35 ? -9.347 -83.879 -16.722 1.00 91.27 ? 36 LYS X CD 1 +ATOM 23752 C CE . LYS Q 17 35 ? -10.804 -83.569 -16.995 1.00 96.70 ? 36 LYS X CE 1 +ATOM 23753 N NZ . LYS Q 17 35 ? -11.378 -84.526 -17.982 1.00 112.75 ? 36 LYS X NZ 1 +ATOM 23754 N N . VAL Q 17 36 ? -4.223 -82.673 -17.203 1.00 66.81 ? 37 VAL X N 1 +ATOM 23755 C CA . VAL Q 17 36 ? -2.927 -82.696 -16.539 1.00 96.36 ? 37 VAL X CA 1 +ATOM 23756 C C . VAL Q 17 36 ? -3.023 -83.596 -15.310 1.00 87.98 ? 37 VAL X C 1 +ATOM 23757 O O . VAL Q 17 36 ? -4.061 -83.649 -14.649 1.00 81.93 ? 37 VAL X O 1 +ATOM 23758 C CB . VAL Q 17 36 ? -2.508 -81.254 -16.170 1.00 87.74 ? 37 VAL X CB 1 +ATOM 23759 C CG1 . VAL Q 17 36 ? -1.213 -81.238 -15.366 1.00 97.80 ? 37 VAL X CG1 1 +ATOM 23760 C CG2 . VAL Q 17 36 ? -2.391 -80.392 -17.424 1.00 78.64 ? 37 VAL X CG2 1 +ATOM 23761 N N . GLN Q 17 37 ? -1.941 -84.303 -14.985 1.00 88.04 ? 38 GLN X N 1 +ATOM 23762 C CA . GLN Q 17 37 ? -1.885 -85.117 -13.773 1.00 98.11 ? 38 GLN X CA 1 +ATOM 23763 C C . GLN Q 17 37 ? -1.456 -84.252 -12.589 1.00 96.40 ? 38 GLN X C 1 +ATOM 23764 O O . GLN Q 17 37 ? -0.360 -83.679 -12.600 1.00 105.20 ? 38 GLN X O 1 +ATOM 23765 C CB . GLN Q 17 37 ? -0.910 -86.284 -13.935 1.00 100.40 ? 38 GLN X CB 1 +ATOM 23766 C CG . GLN Q 17 37 ? -0.978 -87.011 -15.268 1.00 120.93 ? 38 GLN X CG 1 +ATOM 23767 C CD . GLN Q 17 37 ? -2.306 -87.712 -15.498 1.00 136.95 ? 38 GLN X CD 1 +ATOM 23768 O OE1 . GLN Q 17 37 ? -3.309 -87.076 -15.834 1.00 139.89 ? 38 GLN X OE1 1 +ATOM 23769 N NE2 . GLN Q 17 37 ? -2.318 -89.031 -15.325 1.00 144.51 ? 38 GLN X NE2 1 +ATOM 23770 N N . ARG Q 17 38 ? -2.305 -84.165 -11.570 1.00 77.85 ? 39 ARG X N 1 +ATOM 23771 C CA . ARG Q 17 38 ? -1.881 -83.607 -10.281 1.00 111.89 ? 39 ARG X CA 1 +ATOM 23772 C C . ARG Q 17 38 ? -1.916 -84.675 -9.185 1.00 96.63 ? 39 ARG X C 1 +ATOM 23773 O O . ARG Q 17 38 ? -1.214 -84.568 -8.179 1.00 118.28 ? 39 ARG X O 1 +ATOM 23774 C CB . ARG Q 17 38 ? -2.749 -82.410 -9.873 1.00 81.58 ? 39 ARG X CB 1 +ATOM 23775 C CG . ARG Q 17 38 ? -2.472 -81.146 -10.662 1.00 83.45 ? 39 ARG X CG 1 +ATOM 23776 C CD . ARG Q 17 38 ? -3.291 -79.961 -10.157 1.00 87.45 ? 39 ARG X CD 1 +ATOM 23777 N NE . ARG Q 17 38 ? -3.034 -78.764 -10.950 1.00 88.69 ? 39 ARG X NE 1 +ATOM 23778 C CZ . ARG Q 17 38 ? -3.690 -78.438 -12.059 1.00 88.30 ? 39 ARG X CZ 1 +ATOM 23779 N NH1 . ARG Q 17 38 ? -4.688 -79.172 -12.515 1.00 68.09 ? 39 ARG X NH1 1 +ATOM 23780 N NH2 . ARG Q 17 38 ? -3.335 -77.343 -12.729 1.00 85.35 ? 39 ARG X NH2 1 +ATOM 23781 N N . VAL R 18 2 ? 21.847 -79.124 -73.929 1.00 126.40 ? 18 VAL Y N 1 +ATOM 23782 C CA . VAL R 18 2 ? 20.994 -78.613 -72.858 1.00 128.59 ? 18 VAL Y CA 1 +ATOM 23783 C C . VAL R 18 2 ? 20.666 -79.712 -71.848 1.00 124.64 ? 18 VAL Y C 1 +ATOM 23784 O O . VAL R 18 2 ? 20.970 -79.578 -70.664 1.00 131.07 ? 18 VAL Y O 1 +ATOM 23785 C CB . VAL R 18 2 ? 19.704 -78.003 -73.414 1.00 157.13 ? 18 VAL Y CB 1 +ATOM 23786 C CG1 . VAL R 18 2 ? 18.944 -77.293 -72.295 1.00 83.89 ? 18 VAL Y CG1 1 +ATOM 23787 C CG2 . VAL R 18 2 ? 20.011 -77.065 -74.586 1.00 134.28 ? 18 VAL Y CG2 1 +ATOM 23788 N N . ILE R 18 3 ? 20.020 -80.788 -72.307 1.00 117.45 ? 19 ILE Y N 1 +ATOM 23789 C CA . ILE R 18 3 ? 19.980 -82.011 -71.506 1.00 130.52 ? 19 ILE Y CA 1 +ATOM 23790 C C . ILE R 18 3 ? 21.401 -82.466 -71.207 1.00 129.59 ? 19 ILE Y C 1 +ATOM 23791 O O . ILE R 18 3 ? 21.666 -83.099 -70.173 1.00 111.93 ? 19 ILE Y O 1 +ATOM 23792 C CB . ILE R 18 3 ? 19.164 -83.111 -72.228 1.00 128.17 ? 19 ILE Y CB 1 +ATOM 23793 C CG1 . ILE R 18 3 ? 17.670 -82.786 -72.198 1.00 118.20 ? 19 ILE Y CG1 1 +ATOM 23794 C CG2 . ILE R 18 3 ? 19.412 -84.490 -71.612 1.00 103.44 ? 19 ILE Y CG2 1 +ATOM 23795 C CD1 . ILE R 18 3 ? 16.819 -83.786 -72.948 1.00 127.65 ? 19 ILE Y CD1 1 +ATOM 23796 N N . ALA R 18 4 ? 22.341 -82.126 -72.094 1.00 138.90 ? 20 ALA Y N 1 +ATOM 23797 C CA . ALA R 18 4 ? 23.742 -82.459 -71.877 1.00 134.47 ? 20 ALA Y CA 1 +ATOM 23798 C C . ALA R 18 4 ? 24.307 -81.699 -70.682 1.00 123.68 ? 20 ALA Y C 1 +ATOM 23799 O O . ALA R 18 4 ? 24.943 -82.296 -69.806 1.00 122.51 ? 20 ALA Y O 1 +ATOM 23800 C CB . ALA R 18 4 ? 24.546 -82.170 -73.145 1.00 132.66 ? 20 ALA Y CB 1 +ATOM 23801 N N . GLN R 18 5 ? 24.069 -80.382 -70.619 1.00 114.10 ? 21 GLN Y N 1 +ATOM 23802 C CA . GLN R 18 5 ? 24.549 -79.590 -69.485 1.00 114.89 ? 21 GLN Y CA 1 +ATOM 23803 C C . GLN R 18 5 ? 24.012 -80.120 -68.160 1.00 96.42 ? 21 GLN Y C 1 +ATOM 23804 O O . GLN R 18 5 ? 24.755 -80.216 -67.176 1.00 93.42 ? 21 GLN Y O 1 +ATOM 23805 C CB . GLN R 18 5 ? 24.157 -78.123 -69.656 1.00 108.70 ? 21 GLN Y CB 1 +ATOM 23806 C CG . GLN R 18 5 ? 25.107 -77.305 -70.511 1.00 100.38 ? 21 GLN Y CG 1 +ATOM 23807 C CD . GLN R 18 5 ? 24.417 -76.095 -71.113 1.00 105.49 ? 21 GLN Y CD 1 +ATOM 23808 O OE1 . GLN R 18 5 ? 23.189 -75.990 -71.070 1.00 103.78 ? 21 GLN Y OE1 1 +ATOM 23809 N NE2 . GLN R 18 5 ? 25.199 -75.176 -71.679 1.00 98.81 ? 21 GLN Y NE2 1 +ATOM 23810 N N . LEU R 18 6 ? 22.722 -80.468 -68.115 1.00 99.58 ? 22 LEU Y N 1 +ATOM 23811 C CA . LEU R 18 6 ? 22.135 -80.981 -66.880 1.00 107.62 ? 22 LEU Y CA 1 +ATOM 23812 C C . LEU R 18 6 ? 22.701 -82.349 -66.516 1.00 98.07 ? 22 LEU Y C 1 +ATOM 23813 O O . LEU R 18 6 ? 22.981 -82.612 -65.342 1.00 94.32 ? 22 LEU Y O 1 +ATOM 23814 C CB . LEU R 18 6 ? 20.614 -81.038 -67.007 1.00 106.34 ? 22 LEU Y CB 1 +ATOM 23815 C CG . LEU R 18 6 ? 19.977 -79.659 -67.192 1.00 108.81 ? 22 LEU Y CG 1 +ATOM 23816 C CD1 . LEU R 18 6 ? 18.479 -79.716 -66.964 1.00 110.47 ? 22 LEU Y CD1 1 +ATOM 23817 C CD2 . LEU R 18 6 ? 20.631 -78.631 -66.269 1.00 101.84 ? 22 LEU Y CD2 1 +ATOM 23818 N N . THR R 18 7 ? 22.876 -83.230 -67.504 1.00 97.39 ? 23 THR Y N 1 +ATOM 23819 C CA . THR R 18 7 ? 23.505 -84.522 -67.240 1.00 108.43 ? 23 THR Y CA 1 +ATOM 23820 C C . THR R 18 7 ? 24.922 -84.343 -66.705 1.00 98.23 ? 23 THR Y C 1 +ATOM 23821 O O . THR R 18 7 ? 25.300 -84.962 -65.702 1.00 89.90 ? 23 THR Y O 1 +ATOM 23822 C CB . THR R 18 7 ? 23.525 -85.373 -68.512 1.00 105.12 ? 23 THR Y CB 1 +ATOM 23823 O OG1 . THR R 18 7 ? 22.203 -85.455 -69.061 1.00 101.22 ? 23 THR Y OG1 1 +ATOM 23824 C CG2 . THR R 18 7 ? 24.052 -86.779 -68.205 1.00 86.55 ? 23 THR Y CG2 1 +ATOM 23825 N N . MET R 18 8 ? 25.719 -83.497 -67.369 1.00 78.66 ? 24 MET Y N 1 +ATOM 23826 C CA . MET R 18 8 ? 27.101 -83.268 -66.952 1.00 90.11 ? 24 MET Y CA 1 +ATOM 23827 C C . MET R 18 8 ? 27.164 -82.812 -65.499 1.00 93.58 ? 24 MET Y C 1 +ATOM 23828 O O . MET R 18 8 ? 27.832 -83.438 -64.665 1.00 71.63 ? 24 MET Y O 1 +ATOM 23829 C CB . MET R 18 8 ? 27.780 -82.233 -67.864 1.00 80.29 ? 24 MET Y CB 1 +ATOM 23830 C CG . MET R 18 8 ? 27.982 -82.650 -69.324 1.00 95.39 ? 24 MET Y CG 1 +ATOM 23831 S SD . MET R 18 8 ? 28.398 -84.389 -69.564 1.00 112.79 ? 24 MET Y SD 1 +ATOM 23832 C CE . MET R 18 8 ? 26.799 -85.066 -70.021 1.00 109.64 ? 24 MET Y CE 1 +ATOM 23833 N N . ILE R 18 9 ? 26.459 -81.721 -65.176 1.00 75.61 ? 25 ILE Y N 1 +ATOM 23834 C CA . ILE R 18 9 ? 26.525 -81.187 -63.820 1.00 101.48 ? 25 ILE Y CA 1 +ATOM 23835 C C . ILE R 18 9 ? 25.890 -82.149 -62.815 1.00 79.65 ? 25 ILE Y C 1 +ATOM 23836 O O . ILE R 18 9 ? 26.262 -82.137 -61.636 1.00 85.64 ? 25 ILE Y O 1 +ATOM 23837 C CB . ILE R 18 9 ? 25.901 -79.770 -63.764 1.00 102.98 ? 25 ILE Y CB 1 +ATOM 23838 C CG1 . ILE R 18 9 ? 26.216 -79.076 -62.428 1.00 91.93 ? 25 ILE Y CG1 1 +ATOM 23839 C CG2 . ILE R 18 9 ? 24.396 -79.809 -63.998 1.00 90.92 ? 25 ILE Y CG2 1 +ATOM 23840 C CD1 . ILE R 18 9 ? 27.693 -78.788 -62.206 1.00 75.58 ? 25 ILE Y CD1 1 +ATOM 23841 N N . ALA R 18 10 ? 24.968 -83.014 -63.257 1.00 90.34 ? 26 ALA Y N 1 +ATOM 23842 C CA . ALA R 18 10 ? 24.447 -84.063 -62.380 1.00 85.68 ? 26 ALA Y CA 1 +ATOM 23843 C C . ALA R 18 10 ? 25.510 -85.111 -62.077 1.00 82.42 ? 26 ALA Y C 1 +ATOM 23844 O O . ALA R 18 10 ? 25.665 -85.528 -60.924 1.00 74.42 ? 26 ALA Y O 1 +ATOM 23845 C CB . ALA R 18 10 ? 23.220 -84.721 -63.003 1.00 85.26 ? 26 ALA Y CB 1 +ATOM 23846 N N . MET R 18 11 ? 26.264 -85.541 -63.091 1.00 80.22 ? 27 MET Y N 1 +ATOM 23847 C CA . MET R 18 11 ? 27.316 -86.523 -62.842 1.00 74.38 ? 27 MET Y CA 1 +ATOM 23848 C C . MET R 18 11 ? 28.479 -85.916 -62.070 1.00 79.62 ? 27 MET Y C 1 +ATOM 23849 O O . MET R 18 11 ? 29.016 -86.551 -61.156 1.00 80.83 ? 27 MET Y O 1 +ATOM 23850 C CB . MET R 18 11 ? 27.804 -87.111 -64.156 1.00 88.88 ? 27 MET Y CB 1 +ATOM 23851 C CG . MET R 18 11 ? 26.704 -87.775 -64.955 1.00 112.29 ? 27 MET Y CG 1 +ATOM 23852 S SD . MET R 18 11 ? 27.332 -88.350 -66.532 1.00 137.14 ? 27 MET Y SD 1 +ATOM 23853 C CE . MET R 18 11 ? 28.389 -89.685 -65.969 1.00 124.33 ? 27 MET Y CE 1 +ATOM 23854 N N . ILE R 18 12 ? 28.885 -84.692 -62.427 1.00 73.19 ? 28 ILE Y N 1 +ATOM 23855 C CA . ILE R 18 12 ? 29.945 -84.004 -61.690 1.00 75.48 ? 28 ILE Y CA 1 +ATOM 23856 C C . ILE R 18 12 ? 29.509 -83.714 -60.255 1.00 65.48 ? 28 ILE Y C 1 +ATOM 23857 O O . ILE R 18 12 ? 30.295 -83.855 -59.311 1.00 71.20 ? 28 ILE Y O 1 +ATOM 23858 C CB . ILE R 18 12 ? 30.348 -82.707 -62.415 1.00 71.40 ? 28 ILE Y CB 1 +ATOM 23859 C CG1 . ILE R 18 12 ? 30.956 -82.997 -63.785 1.00 72.90 ? 28 ILE Y CG1 1 +ATOM 23860 C CG2 . ILE R 18 12 ? 31.316 -81.909 -61.563 1.00 69.34 ? 28 ILE Y CG2 1 +ATOM 23861 C CD1 . ILE R 18 12 ? 31.149 -81.731 -64.609 1.00 77.85 ? 28 ILE Y CD1 1 +ATOM 23862 N N . GLY R 18 13 ? 28.256 -83.292 -60.065 1.00 67.02 ? 29 GLY Y N 1 +ATOM 23863 C CA . GLY R 18 13 ? 27.784 -82.982 -58.722 1.00 61.49 ? 29 GLY Y CA 1 +ATOM 23864 C C . GLY R 18 13 ? 27.644 -84.200 -57.826 1.00 76.99 ? 29 GLY Y C 1 +ATOM 23865 O O . GLY R 18 13 ? 27.754 -84.092 -56.601 1.00 85.51 ? 29 GLY Y O 1 +ATOM 23866 N N . ILE R 18 14 ? 27.407 -85.373 -58.413 1.00 79.10 ? 30 ILE Y N 1 +ATOM 23867 C CA . ILE R 18 14 ? 27.259 -86.577 -57.604 1.00 80.31 ? 30 ILE Y CA 1 +ATOM 23868 C C . ILE R 18 14 ? 28.625 -87.113 -57.170 1.00 80.37 ? 30 ILE Y C 1 +ATOM 23869 O O . ILE R 18 14 ? 28.746 -87.723 -56.099 1.00 66.09 ? 30 ILE Y O 1 +ATOM 23870 C CB . ILE R 18 14 ? 26.433 -87.622 -58.382 1.00 81.45 ? 30 ILE Y CB 1 +ATOM 23871 C CG1 . ILE R 18 14 ? 24.972 -87.596 -57.925 1.00 104.74 ? 30 ILE Y CG1 1 +ATOM 23872 C CG2 . ILE R 18 14 ? 27.004 -89.018 -58.223 1.00 77.00 ? 30 ILE Y CG2 1 +ATOM 23873 C CD1 . ILE R 18 14 ? 24.286 -86.246 -58.084 1.00 111.51 ? 30 ILE Y CD1 1 +ATOM 23874 N N . ALA R 18 15 ? 29.671 -86.860 -57.963 1.00 68.69 ? 31 ALA Y N 1 +ATOM 23875 C CA . ALA R 18 15 ? 30.991 -87.409 -57.668 1.00 74.20 ? 31 ALA Y CA 1 +ATOM 23876 C C . ALA R 18 15 ? 31.410 -87.138 -56.224 1.00 82.25 ? 31 ALA Y C 1 +ATOM 23877 O O . ALA R 18 15 ? 31.877 -88.044 -55.520 1.00 74.47 ? 31 ALA Y O 1 +ATOM 23878 C CB . ALA R 18 15 ? 32.016 -86.832 -58.642 1.00 67.98 ? 31 ALA Y CB 1 +ATOM 23879 N N . GLY R 18 16 ? 31.241 -85.894 -55.767 1.00 72.58 ? 32 GLY Y N 1 +ATOM 23880 C CA . GLY R 18 16 ? 31.662 -85.483 -54.447 1.00 61.31 ? 32 GLY Y CA 1 +ATOM 23881 C C . GLY R 18 16 ? 31.036 -86.276 -53.312 1.00 71.76 ? 32 GLY Y C 1 +ATOM 23882 O O . GLY R 18 16 ? 31.729 -86.945 -52.541 1.00 63.26 ? 32 GLY Y O 1 +ATOM 23883 N N . PRO R 18 17 ? 29.712 -86.187 -53.161 1.00 67.73 ? 33 PRO Y N 1 +ATOM 23884 C CA . PRO R 18 17 ? 29.054 -86.989 -52.115 1.00 71.15 ? 33 PRO Y CA 1 +ATOM 23885 C C . PRO R 18 17 ? 29.313 -88.478 -52.269 1.00 77.63 ? 33 PRO Y C 1 +ATOM 23886 O O . PRO R 18 17 ? 29.447 -89.185 -51.264 1.00 78.97 ? 33 PRO Y O 1 +ATOM 23887 C CB . PRO R 18 17 ? 27.565 -86.646 -52.283 1.00 68.05 ? 33 PRO Y CB 1 +ATOM 23888 C CG . PRO R 18 17 ? 27.547 -85.316 -52.975 1.00 73.09 ? 33 PRO Y CG 1 +ATOM 23889 C CD . PRO R 18 17 ? 28.782 -85.262 -53.838 1.00 67.74 ? 33 PRO Y CD 1 +ATOM 23890 N N . MET R 18 18 ? 29.419 -88.968 -53.506 1.00 72.95 ? 34 MET Y N 1 +ATOM 23891 C CA . MET R 18 18 ? 29.732 -90.374 -53.731 1.00 81.61 ? 34 MET Y CA 1 +ATOM 23892 C C . MET R 18 18 ? 31.039 -90.764 -53.051 1.00 79.57 ? 34 MET Y C 1 +ATOM 23893 O O . MET R 18 18 ? 31.125 -91.825 -52.418 1.00 66.94 ? 34 MET Y O 1 +ATOM 23894 C CB . MET R 18 18 ? 29.798 -90.656 -55.236 1.00 85.43 ? 34 MET Y CB 1 +ATOM 23895 C CG . MET R 18 18 ? 29.721 -92.124 -55.604 1.00 107.91 ? 34 MET Y CG 1 +ATOM 23896 S SD . MET R 18 18 ? 28.265 -92.909 -54.863 1.00 122.75 ? 34 MET Y SD 1 +ATOM 23897 C CE . MET R 18 18 ? 26.945 -91.952 -55.618 1.00 106.93 ? 34 MET Y CE 1 +ATOM 23898 N N . ILE R 18 19 ? 32.067 -89.918 -53.159 1.00 63.55 ? 35 ILE Y N 1 +ATOM 23899 C CA . ILE R 18 19 ? 33.337 -90.231 -52.509 1.00 69.15 ? 35 ILE Y CA 1 +ATOM 23900 C C . ILE R 18 19 ? 33.133 -90.414 -51.011 1.00 77.79 ? 35 ILE Y C 1 +ATOM 23901 O O . ILE R 18 19 ? 33.591 -91.402 -50.419 1.00 78.57 ? 35 ILE Y O 1 +ATOM 23902 C CB . ILE R 18 19 ? 34.384 -89.147 -52.805 1.00 72.69 ? 35 ILE Y CB 1 +ATOM 23903 C CG1 . ILE R 18 19 ? 34.713 -89.136 -54.300 1.00 80.19 ? 35 ILE Y CG1 1 +ATOM 23904 C CG2 . ILE R 18 19 ? 35.630 -89.372 -51.953 1.00 68.11 ? 35 ILE Y CG2 1 +ATOM 23905 C CD1 . ILE R 18 19 ? 35.654 -88.021 -54.723 1.00 77.43 ? 35 ILE Y CD1 1 +ATOM 23906 N N . ILE R 18 20 ? 32.416 -89.479 -50.380 1.00 74.26 ? 36 ILE Y N 1 +ATOM 23907 C CA . ILE R 18 20 ? 32.188 -89.566 -48.942 1.00 66.79 ? 36 ILE Y CA 1 +ATOM 23908 C C . ILE R 18 20 ? 31.419 -90.838 -48.608 1.00 81.96 ? 36 ILE Y C 1 +ATOM 23909 O O . ILE R 18 20 ? 31.743 -91.545 -47.647 1.00 66.23 ? 36 ILE Y O 1 +ATOM 23910 C CB . ILE R 18 20 ? 31.458 -88.303 -48.434 1.00 74.53 ? 36 ILE Y CB 1 +ATOM 23911 C CG1 . ILE R 18 20 ? 32.214 -87.022 -48.851 1.00 67.81 ? 36 ILE Y CG1 1 +ATOM 23912 C CG2 . ILE R 18 20 ? 31.229 -88.373 -46.916 1.00 59.38 ? 36 ILE Y CG2 1 +ATOM 23913 C CD1 . ILE R 18 20 ? 33.713 -87.049 -48.589 1.00 59.40 ? 36 ILE Y CD1 1 +ATOM 23914 N N . PHE R 18 21 ? 30.411 -91.164 -49.420 1.00 74.16 ? 37 PHE Y N 1 +ATOM 23915 C CA . PHE R 18 21 ? 29.575 -92.332 -49.163 1.00 75.65 ? 37 PHE Y CA 1 +ATOM 23916 C C . PHE R 18 21 ? 30.364 -93.639 -49.281 1.00 78.31 ? 37 PHE Y C 1 +ATOM 23917 O O . PHE R 18 21 ? 30.214 -94.538 -48.446 1.00 77.21 ? 37 PHE Y O 1 +ATOM 23918 C CB . PHE R 18 21 ? 28.396 -92.317 -50.128 1.00 69.93 ? 37 PHE Y CB 1 +ATOM 23919 C CG . PHE R 18 21 ? 27.520 -93.510 -50.021 1.00 87.70 ? 37 PHE Y CG 1 +ATOM 23920 C CD1 . PHE R 18 21 ? 26.562 -93.598 -49.016 1.00 87.15 ? 37 PHE Y CD1 1 +ATOM 23921 C CD2 . PHE R 18 21 ? 27.645 -94.551 -50.924 1.00 87.42 ? 37 PHE Y CD2 1 +ATOM 23922 C CE1 . PHE R 18 21 ? 25.747 -94.708 -48.920 1.00 86.19 ? 37 PHE Y CE1 1 +ATOM 23923 C CE2 . PHE R 18 21 ? 26.835 -95.658 -50.836 1.00 80.42 ? 37 PHE Y CE2 1 +ATOM 23924 C CZ . PHE R 18 21 ? 25.886 -95.741 -49.838 1.00 86.44 ? 37 PHE Y CZ 1 +ATOM 23925 N N . LEU R 18 22 ? 31.204 -93.762 -50.312 1.00 75.64 ? 38 LEU Y N 1 +ATOM 23926 C CA . LEU R 18 22 ? 32.022 -94.960 -50.470 1.00 75.04 ? 38 LEU Y CA 1 +ATOM 23927 C C . LEU R 18 22 ? 33.001 -95.126 -49.314 1.00 79.51 ? 38 LEU Y C 1 +ATOM 23928 O O . LEU R 18 22 ? 33.264 -96.250 -48.872 1.00 79.20 ? 38 LEU Y O 1 +ATOM 23929 C CB . LEU R 18 22 ? 32.768 -94.917 -51.803 1.00 69.39 ? 38 LEU Y CB 1 +ATOM 23930 C CG . LEU R 18 22 ? 31.839 -95.021 -53.018 1.00 91.98 ? 38 LEU Y CG 1 +ATOM 23931 C CD1 . LEU R 18 22 ? 32.611 -94.954 -54.332 1.00 66.49 ? 38 LEU Y CD1 1 +ATOM 23932 C CD2 . LEU R 18 22 ? 30.977 -96.294 -52.936 1.00 81.67 ? 38 LEU Y CD2 1 +ATOM 23933 N N . LEU R 18 23 ? 33.558 -94.023 -48.811 1.00 72.83 ? 39 LEU Y N 1 +ATOM 23934 C CA . LEU R 18 23 ? 34.458 -94.132 -47.667 1.00 76.78 ? 39 LEU Y CA 1 +ATOM 23935 C C . LEU R 18 23 ? 33.702 -94.435 -46.379 1.00 73.64 ? 39 LEU Y C 1 +ATOM 23936 O O . LEU R 18 23 ? 34.238 -95.100 -45.486 1.00 83.19 ? 39 LEU Y O 1 +ATOM 23937 C CB . LEU R 18 23 ? 35.283 -92.858 -47.525 1.00 71.74 ? 39 LEU Y CB 1 +ATOM 23938 C CG . LEU R 18 23 ? 36.390 -92.829 -48.570 1.00 76.93 ? 39 LEU Y CG 1 +ATOM 23939 C CD1 . LEU R 18 23 ? 37.085 -91.479 -48.597 1.00 71.82 ? 39 LEU Y CD1 1 +ATOM 23940 C CD2 . LEU R 18 23 ? 37.374 -93.955 -48.297 1.00 62.79 ? 39 LEU Y CD2 1 +ATOM 23941 N N . ALA R 18 24 ? 32.460 -93.972 -46.265 1.00 80.23 ? 40 ALA Y N 1 +ATOM 23942 C CA . ALA R 18 24 ? 31.688 -94.253 -45.062 1.00 80.50 ? 40 ALA Y CA 1 +ATOM 23943 C C . ALA R 18 24 ? 31.213 -95.702 -45.047 1.00 80.20 ? 40 ALA Y C 1 +ATOM 23944 O O . ALA R 18 24 ? 31.260 -96.370 -44.008 1.00 100.29 ? 40 ALA Y O 1 +ATOM 23945 C CB . ALA R 18 24 ? 30.511 -93.281 -44.964 1.00 63.70 ? 40 ALA Y CB 1 +ATOM 23946 N N . VAL R 18 25 ? 30.755 -96.204 -46.193 1.00 90.92 ? 41 VAL Y N 1 +ATOM 23947 C CA . VAL R 18 25 ? 30.373 -97.608 -46.303 1.00 82.04 ? 41 VAL Y CA 1 +ATOM 23948 C C . VAL R 18 25 ? 31.557 -98.509 -45.967 1.00 83.69 ? 41 VAL Y C 1 +ATOM 23949 O O . VAL R 18 25 ? 31.470 -99.385 -45.101 1.00 89.16 ? 41 VAL Y O 1 +ATOM 23950 C CB . VAL R 18 25 ? 29.826 -97.896 -47.713 1.00 99.75 ? 41 VAL Y CB 1 +ATOM 23951 C CG1 . VAL R 18 25 ? 29.802 -99.390 -47.975 1.00 97.54 ? 41 VAL Y CG1 1 +ATOM 23952 C CG2 . VAL R 18 25 ? 28.437 -97.280 -47.875 1.00 83.94 ? 41 VAL Y CG2 1 +ATOM 23953 N N . ARG R 18 26 ? 32.688 -98.290 -46.630 1.00 87.45 ? 42 ARG Y N 1 +ATOM 23954 C CA . ARG R 18 26 ? 33.887 -99.085 -46.419 1.00 81.58 ? 42 ARG Y CA 1 +ATOM 23955 C C . ARG R 18 26 ? 34.622 -98.728 -45.128 1.00 90.26 ? 42 ARG Y C 1 +ATOM 23956 O O . ARG R 18 26 ? 35.788 -99.111 -44.971 1.00 93.73 ? 42 ARG Y O 1 +ATOM 23957 C CB . ARG R 18 26 ? 34.820 -98.936 -47.621 1.00 88.03 ? 42 ARG Y CB 1 +ATOM 23958 C CG . ARG R 18 26 ? 34.164 -99.333 -48.943 1.00 97.45 ? 42 ARG Y CG 1 +ATOM 23959 C CD . ARG R 18 26 ? 35.039 -98.956 -50.131 1.00 98.76 ? 42 ARG Y CD 1 +ATOM 23960 N NE . ARG R 18 26 ? 36.426 -99.350 -49.916 1.00 107.61 ? 42 ARG Y NE 1 +ATOM 23961 C CZ . ARG R 18 26 ? 37.306 -99.552 -50.887 1.00 129.58 ? 42 ARG Y CZ 1 +ATOM 23962 N NH1 . ARG R 18 26 ? 36.976 -99.402 -52.161 1.00 135.10 ? 42 ARG Y NH1 1 +ATOM 23963 N NH2 . ARG R 18 26 ? 38.545 -99.929 -50.574 1.00 130.53 ? 42 ARG Y NH2 1 +ATOM 23964 N N . ARG R 18 27 ? 33.958 -98.015 -44.215 1.00 87.72 ? 43 ARG Y N 1 +ATOM 23965 C CA . ARG R 18 27 ? 34.540 -97.562 -42.957 1.00 93.81 ? 43 ARG Y CA 1 +ATOM 23966 C C . ARG R 18 27 ? 35.962 -97.035 -43.143 1.00 92.49 ? 43 ARG Y C 1 +ATOM 23967 O O . ARG R 18 27 ? 36.918 -97.604 -42.609 1.00 104.29 ? 43 ARG Y O 1 +ATOM 23968 C CB . ARG R 18 27 ? 34.508 -98.697 -41.928 1.00 100.14 ? 43 ARG Y CB 1 +ATOM 23969 C CG . ARG R 18 27 ? 33.095 -99.065 -41.454 1.00 109.16 ? 43 ARG Y CG 1 +ATOM 23970 C CD . ARG R 18 27 ? 33.085 -100.314 -40.561 1.00 155.81 ? 43 ARG Y CD 1 +ATOM 23971 N NE . ARG R 18 27 ? 33.521 -100.052 -39.191 1.00 180.87 ? 43 ARG Y NE 1 +ATOM 23972 C CZ . ARG R 18 27 ? 33.727 -100.993 -38.275 1.00 180.62 ? 43 ARG Y CZ 1 +ATOM 23973 N NH1 . ARG R 18 27 ? 33.570 -102.278 -38.554 1.00 174.10 ? 43 ARG Y NH1 1 +ATOM 23974 N NH2 . ARG R 18 27 ? 34.102 -100.635 -37.048 1.00 163.74 ? 43 ARG Y NH2 1 +ATOM 23975 N N . GLY R 18 28 ? 36.111 -95.944 -43.898 1.00 83.67 ? 44 GLY Y N 1 +ATOM 23976 C CA . GLY R 18 28 ? 37.411 -95.413 -44.238 1.00 73.05 ? 44 GLY Y CA 1 +ATOM 23977 C C . GLY R 18 28 ? 37.839 -94.227 -43.378 1.00 63.19 ? 44 GLY Y C 1 +ATOM 23978 O O . GLY R 18 28 ? 37.154 -93.780 -42.465 1.00 69.18 ? 44 GLY Y O 1 +ATOM 23979 N N . ASN R 18 29 ? 39.011 -93.705 -43.735 1.00 78.02 ? 45 ASN Y N 1 +ATOM 23980 C CA . ASN R 18 29 ? 39.736 -92.680 -42.988 1.00 76.39 ? 45 ASN Y CA 1 +ATOM 23981 C C . ASN R 18 29 ? 39.149 -91.275 -43.213 1.00 87.55 ? 45 ASN Y C 1 +ATOM 23982 O O . ASN R 18 29 ? 39.832 -90.334 -43.623 1.00 78.37 ? 45 ASN Y O 1 +ATOM 23983 C CB . ASN R 18 29 ? 41.200 -92.754 -43.407 1.00 90.91 ? 45 ASN Y CB 1 +ATOM 23984 C CG . ASN R 18 29 ? 42.153 -92.229 -42.360 1.00 107.98 ? 45 ASN Y CG 1 +ATOM 23985 O OD1 . ASN R 18 29 ? 41.749 -91.727 -41.306 1.00 114.35 ? 45 ASN Y OD1 1 +ATOM 23986 N ND2 . ASN R 18 29 ? 43.444 -92.353 -42.642 1.00 126.93 ? 45 ASN Y ND2 1 +ATOM 23987 N N . LEU R 18 30 ? 37.853 -91.140 -42.924 1.00 80.53 ? 46 LEU Y N 1 +ATOM 23988 C CA . LEU R 18 30 ? 37.160 -89.845 -42.966 1.00 76.61 ? 46 LEU Y CA 1 +ATOM 23989 C C . LEU R 18 30 ? 37.577 -88.941 -41.814 1.00 73.49 ? 46 LEU Y C 1 +ATOM 23990 O O . LEU R 18 30 ? 37.662 -87.728 -41.942 1.00 77.55 ? 46 LEU Y O 1 +ATOM 23991 C CB . LEU R 18 30 ? 35.642 -90.036 -42.915 1.00 70.44 ? 46 LEU Y CB 1 +ATOM 23992 C CG . LEU R 18 30 ? 34.962 -90.549 -44.178 1.00 83.38 ? 46 LEU Y CG 1 +ATOM 23993 C CD1 . LEU R 18 30 ? 33.472 -90.774 -43.930 1.00 66.35 ? 46 LEU Y CD1 1 +ATOM 23994 C CD2 . LEU R 18 30 ? 35.215 -89.575 -45.332 1.00 69.79 ? 46 LEU Y CD2 1 +ATOM 23995 O OXT . LEU R 18 30 ? 37.820 -89.415 -40.705 1.00 89.21 ? 46 LEU Y OXT 1 +ATOM 23996 N N . ALA S 1 11 ? -22.551 -19.704 24.737 1.00 118.16 ? 11 ALA a N 1 +ATOM 23997 C CA . ALA S 1 11 ? -22.973 -21.020 24.267 1.00 135.83 ? 11 ALA a CA 1 +ATOM 23998 C C . ALA S 1 11 ? -23.993 -20.868 23.143 1.00 138.76 ? 11 ALA a C 1 +ATOM 23999 O O . ALA S 1 11 ? -24.155 -21.765 22.303 1.00 113.67 ? 11 ALA a O 1 +ATOM 24000 C CB . ALA S 1 11 ? -23.553 -21.843 25.415 1.00 151.71 ? 11 ALA a CB 1 +ATOM 24001 N N . ASN S 1 12 ? -24.677 -19.723 23.138 1.00 122.27 ? 12 ASN a N 1 +ATOM 24002 C CA . ASN S 1 12 ? -25.583 -19.385 22.053 1.00 112.71 ? 12 ASN a CA 1 +ATOM 24003 C C . ASN S 1 12 ? -24.783 -18.853 20.863 1.00 106.55 ? 12 ASN a C 1 +ATOM 24004 O O . ASN S 1 12 ? -23.564 -18.664 20.930 1.00 85.38 ? 12 ASN a O 1 +ATOM 24005 C CB . ASN S 1 12 ? -26.633 -18.390 22.537 1.00 106.21 ? 12 ASN a CB 1 +ATOM 24006 C CG . ASN S 1 12 ? -26.182 -16.960 22.404 1.00 100.23 ? 12 ASN a CG 1 +ATOM 24007 O OD1 . ASN S 1 12 ? -26.573 -16.272 21.468 1.00 117.10 ? 12 ASN a OD1 1 +ATOM 24008 N ND2 . ASN S 1 12 ? -25.356 -16.501 23.336 1.00 100.60 ? 12 ASN a ND2 1 +ATOM 24009 N N . LEU S 1 13 ? -25.478 -18.596 19.752 1.00 92.55 ? 13 LEU a N 1 +ATOM 24010 C CA . LEU S 1 13 ? -24.784 -18.400 18.484 1.00 87.91 ? 13 LEU a CA 1 +ATOM 24011 C C . LEU S 1 13 ? -23.994 -17.095 18.455 1.00 86.09 ? 13 LEU a C 1 +ATOM 24012 O O . LEU S 1 13 ? -22.864 -17.058 17.955 1.00 75.28 ? 13 LEU a O 1 +ATOM 24013 C CB . LEU S 1 13 ? -25.781 -18.435 17.329 1.00 105.34 ? 13 LEU a CB 1 +ATOM 24014 C CG . LEU S 1 13 ? -25.447 -19.409 16.203 1.00 104.52 ? 13 LEU a CG 1 +ATOM 24015 C CD1 . LEU S 1 13 ? -25.862 -20.818 16.600 1.00 103.81 ? 13 LEU a CD1 1 +ATOM 24016 C CD2 . LEU S 1 13 ? -26.107 -18.971 14.899 1.00 100.73 ? 13 LEU a CD2 1 +ATOM 24017 N N . TRP S 1 14 ? -24.577 -16.010 18.958 1.00 69.70 ? 14 TRP a N 1 +ATOM 24018 C CA . TRP S 1 14 ? -23.904 -14.721 18.868 1.00 79.05 ? 14 TRP a CA 1 +ATOM 24019 C C . TRP S 1 14 ? -22.634 -14.704 19.703 1.00 87.69 ? 14 TRP a C 1 +ATOM 24020 O O . TRP S 1 14 ? -21.635 -14.084 19.308 1.00 74.96 ? 14 TRP a O 1 +ATOM 24021 C CB . TRP S 1 14 ? -24.851 -13.606 19.305 1.00 65.48 ? 14 TRP a CB 1 +ATOM 24022 C CG . TRP S 1 14 ? -24.226 -12.270 19.337 1.00 67.00 ? 14 TRP a CG 1 +ATOM 24023 C CD1 . TRP S 1 14 ? -23.989 -11.507 20.438 1.00 68.68 ? 14 TRP a CD1 1 +ATOM 24024 C CD2 . TRP S 1 14 ? -23.746 -11.523 18.214 1.00 73.64 ? 14 TRP a CD2 1 +ATOM 24025 N NE1 . TRP S 1 14 ? -23.403 -10.317 20.073 1.00 76.98 ? 14 TRP a NE1 1 +ATOM 24026 C CE2 . TRP S 1 14 ? -23.236 -10.305 18.712 1.00 82.76 ? 14 TRP a CE2 1 +ATOM 24027 C CE3 . TRP S 1 14 ? -23.694 -11.765 16.835 1.00 65.80 ? 14 TRP a CE3 1 +ATOM 24028 C CZ2 . TRP S 1 14 ? -22.678 -9.330 17.879 1.00 78.01 ? 14 TRP a CZ2 1 +ATOM 24029 C CZ3 . TRP S 1 14 ? -23.142 -10.803 16.010 1.00 69.19 ? 14 TRP a CZ3 1 +ATOM 24030 C CH2 . TRP S 1 14 ? -22.642 -9.596 16.532 1.00 69.64 ? 14 TRP a CH2 1 +ATOM 24031 N N . GLU S 1 15 ? -22.657 -15.395 20.847 1.00 83.56 ? 15 GLU a N 1 +ATOM 24032 C CA . GLU S 1 15 ? -21.520 -15.414 21.757 1.00 77.38 ? 15 GLU a CA 1 +ATOM 24033 C C . GLU S 1 15 ? -20.350 -16.191 21.160 1.00 76.50 ? 15 GLU a C 1 +ATOM 24034 O O . GLU S 1 15 ? -19.187 -15.816 21.349 1.00 60.55 ? 15 GLU a O 1 +ATOM 24035 C CB . GLU S 1 15 ? -21.968 -16.017 23.090 1.00 92.26 ? 15 GLU a CB 1 +ATOM 24036 C CG . GLU S 1 15 ? -20.965 -15.972 24.228 1.00 111.73 ? 15 GLU a CG 1 +ATOM 24037 C CD . GLU S 1 15 ? -21.479 -16.690 25.481 1.00 145.31 ? 15 GLU a CD 1 +ATOM 24038 O OE1 . GLU S 1 15 ? -22.713 -16.885 25.606 1.00 133.18 ? 15 GLU a OE1 1 +ATOM 24039 O OE2 . GLU S 1 15 ? -20.647 -17.070 26.337 1.00 146.07 ? 15 GLU a OE2 1 +ATOM 24040 N N . ARG S 1 16 ? -20.639 -17.273 20.434 1.00 61.10 ? 16 ARG a N 1 +ATOM 24041 C CA . ARG S 1 16 ? -19.569 -18.026 19.790 1.00 78.08 ? 16 ARG a CA 1 +ATOM 24042 C C . ARG S 1 16 ? -18.962 -17.241 18.632 1.00 75.06 ? 16 ARG a C 1 +ATOM 24043 O O . ARG S 1 16 ? -17.750 -17.309 18.399 1.00 71.21 ? 16 ARG a O 1 +ATOM 24044 C CB . ARG S 1 16 ? -20.092 -19.379 19.307 1.00 78.88 ? 16 ARG a CB 1 +ATOM 24045 C CG . ARG S 1 16 ? -20.630 -20.277 20.413 1.00 91.41 ? 16 ARG a CG 1 +ATOM 24046 C CD . ARG S 1 16 ? -20.784 -21.697 19.901 1.00 109.95 ? 16 ARG a CD 1 +ATOM 24047 N NE . ARG S 1 16 ? -19.488 -22.278 19.567 1.00 137.12 ? 16 ARG a NE 1 +ATOM 24048 C CZ . ARG S 1 16 ? -19.286 -23.166 18.602 1.00 140.05 ? 16 ARG a CZ 1 +ATOM 24049 N NH1 . ARG S 1 16 ? -20.275 -23.583 17.825 1.00 136.31 ? 16 ARG a NH1 1 +ATOM 24050 N NH2 . ARG S 1 16 ? -18.057 -23.638 18.405 1.00 128.28 ? 16 ARG a NH2 1 +ATOM 24051 N N . PHE S 1 17 ? -19.790 -16.496 17.897 1.00 75.46 ? 17 PHE a N 1 +ATOM 24052 C CA . PHE S 1 17 ? -19.280 -15.622 16.846 1.00 67.35 ? 17 PHE a CA 1 +ATOM 24053 C C . PHE S 1 17 ? -18.370 -14.541 17.430 1.00 72.77 ? 17 PHE a C 1 +ATOM 24054 O O . PHE S 1 17 ? -17.261 -14.311 16.932 1.00 62.25 ? 17 PHE a O 1 +ATOM 24055 C CB . PHE S 1 17 ? -20.450 -15.005 16.079 1.00 64.97 ? 17 PHE a CB 1 +ATOM 24056 C CG . PHE S 1 17 ? -20.033 -14.114 14.935 1.00 78.44 ? 17 PHE a CG 1 +ATOM 24057 C CD1 . PHE S 1 17 ? -19.289 -14.616 13.877 1.00 65.31 ? 17 PHE a CD1 1 +ATOM 24058 C CD2 . PHE S 1 17 ? -20.398 -12.784 14.919 1.00 66.37 ? 17 PHE a CD2 1 +ATOM 24059 C CE1 . PHE S 1 17 ? -18.905 -13.797 12.833 1.00 78.01 ? 17 PHE a CE1 1 +ATOM 24060 C CE2 . PHE S 1 17 ? -20.022 -11.954 13.863 1.00 81.73 ? 17 PHE a CE2 1 +ATOM 24061 C CZ . PHE S 1 17 ? -19.278 -12.467 12.818 1.00 56.91 ? 17 PHE a CZ 1 +ATOM 24062 N N . CYS S 1 18 ? -18.817 -13.882 18.506 1.00 60.90 ? 18 CYS a N 1 +ATOM 24063 C CA . CYS S 1 18 ? -18.012 -12.837 19.131 1.00 56.56 ? 18 CYS a CA 1 +ATOM 24064 C C . CYS S 1 18 ? -16.675 -13.366 19.620 1.00 67.21 ? 18 CYS a C 1 +ATOM 24065 O O . CYS S 1 18 ? -15.672 -12.641 19.588 1.00 63.60 ? 18 CYS a O 1 +ATOM 24066 C CB . CYS S 1 18 ? -18.762 -12.208 20.302 1.00 61.34 ? 18 CYS a CB 1 +ATOM 24067 S SG . CYS S 1 18 ? -20.252 -11.327 19.855 1.00 61.96 ? 18 CYS a SG 1 +ATOM 24068 N N . ASN S 1 19 ? -16.639 -14.609 20.093 1.00 60.04 ? 19 ASN a N 1 +ATOM 24069 C CA . ASN S 1 19 ? -15.393 -15.158 20.601 1.00 65.56 ? 19 ASN a CA 1 +ATOM 24070 C C . ASN S 1 19 ? -14.455 -15.510 19.459 1.00 56.94 ? 19 ASN a C 1 +ATOM 24071 O O . ASN S 1 19 ? -13.234 -15.387 19.598 1.00 62.29 ? 19 ASN a O 1 +ATOM 24072 C CB . ASN S 1 19 ? -15.663 -16.395 21.476 1.00 77.68 ? 19 ASN a CB 1 +ATOM 24073 C CG . ASN S 1 19 ? -16.265 -16.045 22.846 1.00 85.12 ? 19 ASN a CG 1 +ATOM 24074 O OD1 . ASN S 1 19 ? -15.957 -15.010 23.440 1.00 94.85 ? 19 ASN a OD1 1 +ATOM 24075 N ND2 . ASN S 1 19 ? -17.129 -16.915 23.344 1.00 88.97 ? 19 ASN a ND2 1 +ATOM 24076 N N . TRP S 1 20 ? -15.000 -15.979 18.336 1.00 57.09 ? 20 TRP a N 1 +ATOM 24077 C CA . TRP S 1 20 ? -14.163 -16.211 17.162 1.00 54.06 ? 20 TRP a CA 1 +ATOM 24078 C C . TRP S 1 20 ? -13.647 -14.897 16.593 1.00 57.08 ? 20 TRP a C 1 +ATOM 24079 O O . TRP S 1 20 ? -12.442 -14.747 16.362 1.00 59.19 ? 20 TRP a O 1 +ATOM 24080 C CB . TRP S 1 20 ? -14.922 -16.992 16.098 1.00 54.18 ? 20 TRP a CB 1 +ATOM 24081 C CG . TRP S 1 20 ? -14.120 -17.141 14.853 1.00 60.42 ? 20 TRP a CG 1 +ATOM 24082 C CD1 . TRP S 1 20 ? -13.124 -18.036 14.625 1.00 64.24 ? 20 TRP a CD1 1 +ATOM 24083 C CD2 . TRP S 1 20 ? -14.232 -16.356 13.665 1.00 64.07 ? 20 TRP a CD2 1 +ATOM 24084 N NE1 . TRP S 1 20 ? -12.606 -17.868 13.366 1.00 60.25 ? 20 TRP a NE1 1 +ATOM 24085 C CE2 . TRP S 1 20 ? -13.271 -16.841 12.752 1.00 69.23 ? 20 TRP a CE2 1 +ATOM 24086 C CE3 . TRP S 1 20 ? -15.050 -15.290 13.283 1.00 64.85 ? 20 TRP a CE3 1 +ATOM 24087 C CZ2 . TRP S 1 20 ? -13.105 -16.298 11.490 1.00 53.29 ? 20 TRP a CZ2 1 +ATOM 24088 C CZ3 . TRP S 1 20 ? -14.889 -14.756 12.021 1.00 62.17 ? 20 TRP a CZ3 1 +ATOM 24089 C CH2 . TRP S 1 20 ? -13.921 -15.259 11.144 1.00 64.76 ? 20 TRP a CH2 1 +ATOM 24090 N N . VAL S 1 21 ? -14.538 -13.917 16.405 1.00 54.09 ? 21 VAL a N 1 +ATOM 24091 C CA . VAL S 1 21 ? -14.124 -12.623 15.870 1.00 51.48 ? 21 VAL a CA 1 +ATOM 24092 C C . VAL S 1 21 ? -12.979 -12.040 16.684 1.00 61.00 ? 21 VAL a C 1 +ATOM 24093 O O . VAL S 1 21 ? -11.987 -11.558 16.123 1.00 59.44 ? 21 VAL a O 1 +ATOM 24094 C CB . VAL S 1 21 ? -15.311 -11.644 15.800 1.00 62.85 ? 21 VAL a CB 1 +ATOM 24095 C CG1 . VAL S 1 21 ? -14.801 -10.216 15.637 1.00 51.62 ? 21 VAL a CG1 1 +ATOM 24096 C CG2 . VAL S 1 21 ? -16.223 -11.994 14.637 1.00 56.16 ? 21 VAL a CG2 1 +ATOM 24097 N N . THR S 1 22 ? -13.092 -12.060 18.017 1.00 58.65 ? 22 THR a N 1 +ATOM 24098 C CA . THR S 1 22 ? -12.075 -11.430 18.851 1.00 58.11 ? 22 THR a CA 1 +ATOM 24099 C C . THR S 1 22 ? -11.018 -12.407 19.361 1.00 50.90 ? 22 THR a C 1 +ATOM 24100 O O . THR S 1 22 ? -10.249 -12.039 20.252 1.00 61.62 ? 22 THR a O 1 +ATOM 24101 C CB . THR S 1 22 ? -12.707 -10.685 20.044 1.00 62.24 ? 22 THR a CB 1 +ATOM 24102 O OG1 . THR S 1 22 ? -13.427 -11.603 20.877 1.00 63.03 ? 22 THR a OG1 1 +ATOM 24103 C CG2 . THR S 1 22 ? -13.649 -9.590 19.566 1.00 52.93 ? 22 THR a CG2 1 +ATOM 24104 N N . SER S 1 23 ? -10.941 -13.618 18.808 1.00 52.30 ? 23 SER a N 1 +ATOM 24105 C CA . SER S 1 23 ? -9.985 -14.611 19.287 1.00 50.16 ? 23 SER a CA 1 +ATOM 24106 C C . SER S 1 23 ? -8.550 -14.212 18.990 1.00 57.69 ? 23 SER a C 1 +ATOM 24107 O O . SER S 1 23 ? -8.220 -13.809 17.878 1.00 64.68 ? 23 SER a O 1 +ATOM 24108 C CB . SER S 1 23 ? -10.235 -15.966 18.642 1.00 53.00 ? 23 SER a CB 1 +ATOM 24109 O OG . SER S 1 23 ? -9.056 -16.775 18.742 1.00 62.44 ? 23 SER a OG 1 +ATOM 24110 N N . THR S 1 24 ? -7.685 -14.389 19.974 1.00 60.46 ? 24 THR a N 1 +ATOM 24111 C CA . THR S 1 24 ? -6.255 -14.140 19.854 1.00 49.84 ? 24 THR a CA 1 +ATOM 24112 C C . THR S 1 24 ? -5.500 -15.325 19.277 1.00 57.45 ? 24 THR a C 1 +ATOM 24113 O O . THR S 1 24 ? -4.263 -15.287 19.241 1.00 57.17 ? 24 THR a O 1 +ATOM 24114 C CB . THR S 1 24 ? -5.670 -13.803 21.233 1.00 66.87 ? 24 THR a CB 1 +ATOM 24115 O OG1 . THR S 1 24 ? -6.034 -14.833 22.166 1.00 69.17 ? 24 THR a OG1 1 +ATOM 24116 C CG2 . THR S 1 24 ? -6.191 -12.477 21.747 1.00 69.44 ? 24 THR a CG2 1 +ATOM 24117 N N . ASP S 1 25 ? -6.198 -16.389 18.876 1.00 51.57 ? 25 ASP a N 1 +ATOM 24118 C CA . ASP S 1 25 ? -5.551 -17.561 18.316 1.00 54.19 ? 25 ASP a CA 1 +ATOM 24119 C C . ASP S 1 25 ? -5.660 -17.647 16.793 1.00 68.92 ? 25 ASP a C 1 +ATOM 24120 O O . ASP S 1 25 ? -5.059 -18.548 16.195 1.00 60.18 ? 25 ASP a O 1 +ATOM 24121 C CB . ASP S 1 25 ? -6.137 -18.842 18.925 1.00 71.05 ? 25 ASP a CB 1 +ATOM 24122 C CG . ASP S 1 25 ? -6.127 -18.837 20.457 1.00 78.39 ? 25 ASP a CG 1 +ATOM 24123 O OD1 . ASP S 1 25 ? -5.301 -18.135 21.102 1.00 72.55 ? 25 ASP a OD1 1 +ATOM 24124 O OD2 . ASP S 1 25 ? -6.978 -19.555 21.012 1.00 90.36 ? 25 ASP a OD2 1 +ATOM 24125 N N . ASN S 1 26 ? -6.430 -16.769 16.157 1.00 51.93 ? 26 ASN a N 1 +ATOM 24126 C CA . ASN S 1 26 ? -6.478 -16.750 14.702 1.00 62.94 ? 26 ASN a CA 1 +ATOM 24127 C C . ASN S 1 26 ? -5.142 -16.280 14.138 1.00 43.75 ? 26 ASN a C 1 +ATOM 24128 O O . ASN S 1 26 ? -4.534 -15.343 14.653 1.00 58.61 ? 26 ASN a O 1 +ATOM 24129 C CB . ASN S 1 26 ? -7.618 -15.853 14.228 1.00 57.29 ? 26 ASN a CB 1 +ATOM 24130 C CG . ASN S 1 26 ? -8.962 -16.530 14.359 1.00 57.66 ? 26 ASN a CG 1 +ATOM 24131 O OD1 . ASN S 1 26 ? -9.059 -17.721 14.142 1.00 63.55 ? 26 ASN a OD1 1 +ATOM 24132 N ND2 . ASN S 1 26 ? -9.997 -15.782 14.716 1.00 60.06 ? 26 ASN a ND2 1 +ATOM 24133 N N . ARG S 1 27 ? -4.684 -16.955 13.086 1.00 54.97 ? 27 ARG a N 1 +ATOM 24134 C CA . ARG S 1 27 ? -3.392 -16.647 12.477 1.00 54.45 ? 27 ARG a CA 1 +ATOM 24135 C C . ARG S 1 27 ? -3.310 -15.175 12.060 1.00 62.64 ? 27 ARG a C 1 +ATOM 24136 O O . ARG S 1 27 ? -2.261 -14.530 12.197 1.00 51.71 ? 27 ARG a O 1 +ATOM 24137 C CB . ARG S 1 27 ? -3.172 -17.595 11.290 1.00 51.35 ? 27 ARG a CB 1 +ATOM 24138 C CG . ARG S 1 27 ? -1.927 -17.331 10.475 1.00 55.84 ? 27 ARG a CG 1 +ATOM 24139 C CD . ARG S 1 27 ? -0.689 -17.431 11.312 1.00 48.56 ? 27 ARG a CD 1 +ATOM 24140 N NE . ARG S 1 27 ? 0.504 -17.131 10.534 1.00 56.05 ? 27 ARG a NE 1 +ATOM 24141 C CZ . ARG S 1 27 ? 1.034 -15.919 10.414 1.00 53.07 ? 27 ARG a CZ 1 +ATOM 24142 N NH1 . ARG S 1 27 ? 0.484 -14.868 10.999 1.00 45.54 ? 27 ARG a NH1 1 +ATOM 24143 N NH2 . ARG S 1 27 ? 2.151 -15.763 9.703 1.00 43.94 ? 27 ARG a NH2 1 +ATOM 24144 N N . LEU S 1 28 ? -4.412 -14.625 11.564 1.00 56.08 ? 28 LEU a N 1 +ATOM 24145 C CA . LEU S 1 28 ? -4.561 -13.192 11.392 1.00 55.45 ? 28 LEU a CA 1 +ATOM 24146 C C . LEU S 1 28 ? -5.729 -12.746 12.251 1.00 58.21 ? 28 LEU a C 1 +ATOM 24147 O O . LEU S 1 28 ? -6.821 -13.317 12.159 1.00 59.07 ? 28 LEU a O 1 +ATOM 24148 C CB . LEU S 1 28 ? -4.798 -12.830 9.909 1.00 54.28 ? 28 LEU a CB 1 +ATOM 24149 C CG . LEU S 1 28 ? -3.711 -13.280 8.934 1.00 57.49 ? 28 LEU a CG 1 +ATOM 24150 C CD1 . LEU S 1 28 ? -4.142 -13.031 7.502 1.00 62.77 ? 28 LEU a CD1 1 +ATOM 24151 C CD2 . LEU S 1 28 ? -2.421 -12.553 9.223 1.00 55.16 ? 28 LEU a CD2 1 +ATOM 24152 N N . TYR S 1 29 ? -5.500 -11.745 13.096 1.00 50.46 ? 29 TYR a N 1 +ATOM 24153 C CA . TYR S 1 29 ? -6.562 -11.249 13.954 1.00 47.18 ? 29 TYR a CA 1 +ATOM 24154 C C . TYR S 1 29 ? -7.634 -10.580 13.107 1.00 54.88 ? 29 TYR a C 1 +ATOM 24155 O O . TYR S 1 29 ? -7.327 -9.792 12.207 1.00 52.35 ? 29 TYR a O 1 +ATOM 24156 C CB . TYR S 1 29 ? -6.013 -10.254 14.985 1.00 46.12 ? 29 TYR a CB 1 +ATOM 24157 C CG . TYR S 1 29 ? -7.086 -9.729 15.918 1.00 58.31 ? 29 TYR a CG 1 +ATOM 24158 C CD1 . TYR S 1 29 ? -7.567 -10.519 16.973 1.00 56.95 ? 29 TYR a CD1 1 +ATOM 24159 C CD2 . TYR S 1 29 ? -7.629 -8.454 15.750 1.00 57.76 ? 29 TYR a CD2 1 +ATOM 24160 C CE1 . TYR S 1 29 ? -8.556 -10.046 17.842 1.00 50.84 ? 29 TYR a CE1 1 +ATOM 24161 C CE2 . TYR S 1 29 ? -8.626 -7.969 16.617 1.00 54.37 ? 29 TYR a CE2 1 +ATOM 24162 C CZ . TYR S 1 29 ? -9.092 -8.785 17.656 1.00 58.96 ? 29 TYR a CZ 1 +ATOM 24163 O OH . TYR S 1 29 ? -10.082 -8.329 18.507 1.00 54.87 ? 29 TYR a OH 1 +ATOM 24164 N N . VAL S 1 30 ? -8.891 -10.887 13.398 1.00 55.00 ? 30 VAL a N 1 +ATOM 24165 C CA . VAL S 1 30 ? -10.017 -10.276 12.705 1.00 53.64 ? 30 VAL a CA 1 +ATOM 24166 C C . VAL S 1 30 ? -10.466 -9.058 13.493 1.00 57.94 ? 30 VAL a C 1 +ATOM 24167 O O . VAL S 1 30 ? -10.103 -7.918 13.161 1.00 60.07 ? 30 VAL a O 1 +ATOM 24168 C CB . VAL S 1 30 ? -11.151 -11.301 12.512 1.00 59.07 ? 30 VAL a CB 1 +ATOM 24169 C CG1 . VAL S 1 30 ? -12.337 -10.697 11.744 1.00 54.16 ? 30 VAL a CG1 1 +ATOM 24170 C CG2 . VAL S 1 30 ? -10.595 -12.539 11.783 1.00 56.17 ? 30 VAL a CG2 1 +ATOM 24171 N N . GLY S 1 31 ? -11.240 -9.284 14.552 1.00 49.49 ? 31 GLY a N 1 +ATOM 24172 C CA . GLY S 1 31 ? -11.705 -8.207 15.394 1.00 45.83 ? 31 GLY a CA 1 +ATOM 24173 C C . GLY S 1 31 ? -12.843 -7.438 14.755 1.00 54.98 ? 31 GLY a C 1 +ATOM 24174 O O . GLY S 1 31 ? -13.195 -7.639 13.601 1.00 57.79 ? 31 GLY a O 1 +ATOM 24175 N N . TRP S 1 32 ? -13.459 -6.548 15.539 1.00 51.96 ? 32 TRP a N 1 +ATOM 24176 C CA . TRP S 1 32 ? -14.610 -5.828 15.003 1.00 57.38 ? 32 TRP a CA 1 +ATOM 24177 C C . TRP S 1 32 ? -14.192 -4.816 13.933 1.00 56.52 ? 32 TRP a C 1 +ATOM 24178 O O . TRP S 1 32 ? -14.922 -4.611 12.960 1.00 56.59 ? 32 TRP a O 1 +ATOM 24179 C CB . TRP S 1 32 ? -15.401 -5.163 16.146 1.00 55.57 ? 32 TRP a CB 1 +ATOM 24180 C CG . TRP S 1 32 ? -15.920 -6.201 17.095 1.00 65.39 ? 32 TRP a CG 1 +ATOM 24181 C CD1 . TRP S 1 32 ? -15.552 -6.376 18.401 1.00 55.91 ? 32 TRP a CD1 1 +ATOM 24182 C CD2 . TRP S 1 32 ? -16.849 -7.259 16.794 1.00 51.88 ? 32 TRP a CD2 1 +ATOM 24183 N NE1 . TRP S 1 32 ? -16.199 -7.458 18.927 1.00 55.09 ? 32 TRP a NE1 1 +ATOM 24184 C CE2 . TRP S 1 32 ? -17.000 -8.022 17.968 1.00 57.04 ? 32 TRP a CE2 1 +ATOM 24185 C CE3 . TRP S 1 32 ? -17.564 -7.625 15.660 1.00 54.02 ? 32 TRP a CE3 1 +ATOM 24186 C CZ2 . TRP S 1 32 ? -17.843 -9.132 18.039 1.00 55.55 ? 32 TRP a CZ2 1 +ATOM 24187 C CZ3 . TRP S 1 32 ? -18.407 -8.732 15.725 1.00 64.97 ? 32 TRP a CZ3 1 +ATOM 24188 C CH2 . TRP S 1 32 ? -18.542 -9.469 16.912 1.00 63.29 ? 32 TRP a CH2 1 +ATOM 24189 N N . PHE S 1 33 ? -13.032 -4.165 14.094 1.00 51.47 ? 33 PHE a N 1 +ATOM 24190 C CA . PHE S 1 33 ? -12.526 -3.328 13.012 1.00 57.68 ? 33 PHE a CA 1 +ATOM 24191 C C . PHE S 1 33 ? -12.242 -4.162 11.761 1.00 54.85 ? 33 PHE a C 1 +ATOM 24192 O O . PHE S 1 33 ? -12.486 -3.708 10.639 1.00 50.49 ? 33 PHE a O 1 +ATOM 24193 C CB . PHE S 1 33 ? -11.279 -2.553 13.455 1.00 46.97 ? 33 PHE a CB 1 +ATOM 24194 C CG . PHE S 1 33 ? -11.586 -1.340 14.268 1.00 53.68 ? 33 PHE a CG 1 +ATOM 24195 C CD1 . PHE S 1 33 ? -12.112 -0.212 13.673 1.00 53.98 ? 33 PHE a CD1 1 +ATOM 24196 C CD2 . PHE S 1 33 ? -11.364 -1.327 15.647 1.00 57.43 ? 33 PHE a CD2 1 +ATOM 24197 C CE1 . PHE S 1 33 ? -12.404 0.930 14.433 1.00 53.66 ? 33 PHE a CE1 1 +ATOM 24198 C CE2 . PHE S 1 33 ? -11.655 -0.211 16.410 1.00 51.50 ? 33 PHE a CE2 1 +ATOM 24199 C CZ . PHE S 1 33 ? -12.172 0.924 15.800 1.00 53.34 ? 33 PHE a CZ 1 +ATOM 24200 N N . GLY S 1 34 ? -11.764 -5.397 11.938 1.00 48.21 ? 34 GLY a N 1 +ATOM 24201 C CA . GLY S 1 34 ? -11.488 -6.252 10.795 1.00 49.67 ? 34 GLY a CA 1 +ATOM 24202 C C . GLY S 1 34 ? -12.736 -6.674 10.043 1.00 56.84 ? 34 GLY a C 1 +ATOM 24203 O O . GLY S 1 34 ? -12.679 -6.958 8.844 1.00 53.05 ? 34 GLY a O 1 +ATOM 24204 N N . VAL S 1 35 ? -13.875 -6.730 10.732 1.00 50.72 ? 35 VAL a N 1 +ATOM 24205 C CA . VAL S 1 35 ? -15.145 -7.039 10.080 1.00 52.78 ? 35 VAL a CA 1 +ATOM 24206 C C . VAL S 1 35 ? -15.497 -5.991 9.013 1.00 62.21 ? 35 VAL a C 1 +ATOM 24207 O O . VAL S 1 35 ? -16.122 -6.319 7.995 1.00 53.99 ? 35 VAL a O 1 +ATOM 24208 C CB . VAL S 1 35 ? -16.232 -7.170 11.171 1.00 59.76 ? 35 VAL a CB 1 +ATOM 24209 C CG1 . VAL S 1 35 ? -17.615 -6.893 10.626 1.00 59.25 ? 35 VAL a CG1 1 +ATOM 24210 C CG2 . VAL S 1 35 ? -16.151 -8.566 11.843 1.00 48.97 ? 35 VAL a CG2 1 +ATOM 24211 N N . ILE S 1 36 ? -15.126 -4.719 9.239 1.00 51.06 ? 36 ILE a N 1 +ATOM 24212 C CA . ILE S 1 36 ? -15.263 -3.677 8.222 1.00 56.42 ? 36 ILE a CA 1 +ATOM 24213 C C . ILE S 1 36 ? -14.065 -3.686 7.274 1.00 48.84 ? 36 ILE a C 1 +ATOM 24214 O O . ILE S 1 36 ? -14.224 -3.570 6.059 1.00 51.74 ? 36 ILE a O 1 +ATOM 24215 C CB . ILE S 1 36 ? -15.441 -2.290 8.889 1.00 58.26 ? 36 ILE a CB 1 +ATOM 24216 C CG1 . ILE S 1 36 ? -16.717 -2.234 9.740 1.00 57.21 ? 36 ILE a CG1 1 +ATOM 24217 C CG2 . ILE S 1 36 ? -15.467 -1.166 7.839 1.00 46.42 ? 36 ILE a CG2 1 +ATOM 24218 C CD1 . ILE S 1 36 ? -17.993 -2.407 8.942 1.00 61.22 ? 36 ILE a CD1 1 +ATOM 24219 N N . MET S 1 37 ? -12.858 -3.830 7.826 1.00 54.30 ? 37 MET a N 1 +ATOM 24220 C CA . MET S 1 37 ? -11.620 -3.725 7.057 1.00 50.17 ? 37 MET a CA 1 +ATOM 24221 C C . MET S 1 37 ? -11.532 -4.765 5.947 1.00 52.02 ? 37 MET a C 1 +ATOM 24222 O O . MET S 1 37 ? -11.065 -4.460 4.841 1.00 52.32 ? 37 MET a O 1 +ATOM 24223 C CB . MET S 1 37 ? -10.417 -3.889 7.985 1.00 51.17 ? 37 MET a CB 1 +ATOM 24224 C CG . MET S 1 37 ? -9.106 -3.842 7.258 1.00 48.13 ? 37 MET a CG 1 +ATOM 24225 S SD . MET S 1 37 ? -7.689 -4.298 8.273 1.00 53.63 ? 37 MET a SD 1 +ATOM 24226 C CE . MET S 1 37 ? -7.692 -6.077 8.102 1.00 54.33 ? 37 MET a CE 1 +ATOM 24227 N N . ILE S 1 38 ? -11.919 -6.008 6.227 1.00 48.99 ? 38 ILE a N 1 +ATOM 24228 C CA . ILE S 1 38 ? -11.626 -7.100 5.301 1.00 53.69 ? 38 ILE a CA 1 +ATOM 24229 C C . ILE S 1 38 ? -12.441 -6.918 4.023 1.00 55.97 ? 38 ILE a C 1 +ATOM 24230 O O . ILE S 1 38 ? -11.851 -6.913 2.934 1.00 56.65 ? 38 ILE a O 1 +ATOM 24231 C CB . ILE S 1 38 ? -11.836 -8.472 5.969 1.00 49.67 ? 38 ILE a CB 1 +ATOM 24232 C CG1 . ILE S 1 38 ? -10.680 -8.752 6.939 1.00 55.03 ? 38 ILE a CG1 1 +ATOM 24233 C CG2 . ILE S 1 38 ? -11.946 -9.602 4.922 1.00 41.99 ? 38 ILE a CG2 1 +ATOM 24234 C CD1 . ILE S 1 38 ? -10.942 -9.896 7.928 1.00 54.22 ? 38 ILE a CD1 1 +ATOM 24235 N N . PRO S 1 39 ? -13.764 -6.733 4.078 1.00 57.39 ? 39 PRO a N 1 +ATOM 24236 C CA . PRO S 1 39 ? -14.503 -6.580 2.810 1.00 50.16 ? 39 PRO a CA 1 +ATOM 24237 C C . PRO S 1 39 ? -14.126 -5.326 2.032 1.00 52.60 ? 39 PRO a C 1 +ATOM 24238 O O . PRO S 1 39 ? -14.107 -5.358 0.790 1.00 48.79 ? 39 PRO a O 1 +ATOM 24239 C CB . PRO S 1 39 ? -15.973 -6.549 3.256 1.00 55.56 ? 39 PRO a CB 1 +ATOM 24240 C CG . PRO S 1 39 ? -15.959 -7.173 4.666 1.00 59.26 ? 39 PRO a CG 1 +ATOM 24241 C CD . PRO S 1 39 ? -14.669 -6.722 5.245 1.00 49.27 ? 39 PRO a CD 1 +ATOM 24242 N N . THR S 1 40 ? -13.829 -4.215 2.712 1.00 48.66 ? 40 THR a N 1 +ATOM 24243 C CA . THR S 1 40 ? -13.573 -2.981 1.968 1.00 53.56 ? 40 THR a CA 1 +ATOM 24244 C C . THR S 1 40 ? -12.199 -3.012 1.300 1.00 53.59 ? 40 THR a C 1 +ATOM 24245 O O . THR S 1 40 ? -12.054 -2.565 0.160 1.00 56.47 ? 40 THR a O 1 +ATOM 24246 C CB . THR S 1 40 ? -13.728 -1.750 2.879 1.00 56.06 ? 40 THR a CB 1 +ATOM 24247 O OG1 . THR S 1 40 ? -12.910 -1.883 4.053 1.00 51.18 ? 40 THR a OG1 1 +ATOM 24248 C CG2 . THR S 1 40 ? -15.210 -1.528 3.272 1.00 46.52 ? 40 THR a CG2 1 +ATOM 24249 N N . LEU S 1 41 ? -11.184 -3.548 1.980 1.00 50.50 ? 41 LEU a N 1 +ATOM 24250 C CA . LEU S 1 41 ? -9.882 -3.705 1.349 1.00 50.50 ? 41 LEU a CA 1 +ATOM 24251 C C . LEU S 1 41 ? -9.927 -4.726 0.215 1.00 51.90 ? 41 LEU a C 1 +ATOM 24252 O O . LEU S 1 41 ? -9.209 -4.575 -0.780 1.00 53.22 ? 41 LEU a O 1 +ATOM 24253 C CB . LEU S 1 41 ? -8.829 -4.109 2.385 1.00 42.93 ? 41 LEU a CB 1 +ATOM 24254 C CG . LEU S 1 41 ? -8.383 -3.077 3.423 1.00 52.04 ? 41 LEU a CG 1 +ATOM 24255 C CD1 . LEU S 1 41 ? -7.225 -3.671 4.207 1.00 54.90 ? 41 LEU a CD1 1 +ATOM 24256 C CD2 . LEU S 1 41 ? -8.013 -1.713 2.791 1.00 49.87 ? 41 LEU a CD2 1 +ATOM 24257 N N . LEU S 1 42 ? -10.770 -5.757 0.327 1.00 48.84 ? 42 LEU a N 1 +ATOM 24258 C CA . LEU S 1 42 ? -10.908 -6.701 -0.786 1.00 50.69 ? 42 LEU a CA 1 +ATOM 24259 C C . LEU S 1 42 ? -11.570 -6.038 -1.990 1.00 54.60 ? 42 LEU a C 1 +ATOM 24260 O O . LEU S 1 42 ? -11.106 -6.207 -3.126 1.00 54.29 ? 42 LEU a O 1 +ATOM 24261 C CB . LEU S 1 42 ? -11.686 -7.949 -0.349 1.00 44.39 ? 42 LEU a CB 1 +ATOM 24262 C CG . LEU S 1 42 ? -10.876 -8.984 0.433 1.00 60.86 ? 42 LEU a CG 1 +ATOM 24263 C CD1 . LEU S 1 42 ? -11.751 -10.130 0.997 1.00 51.59 ? 42 LEU a CD1 1 +ATOM 24264 C CD2 . LEU S 1 42 ? -9.752 -9.534 -0.453 1.00 49.78 ? 42 LEU a CD2 1 +ATOM 24265 N N . ALA S 1 43 ? -12.649 -5.279 -1.764 1.00 47.37 ? 43 ALA a N 1 +ATOM 24266 C CA . ALA S 1 43 ? -13.291 -4.546 -2.858 1.00 51.70 ? 43 ALA a CA 1 +ATOM 24267 C C . ALA S 1 43 ? -12.300 -3.596 -3.531 1.00 49.42 ? 43 ALA a C 1 +ATOM 24268 O O . ALA S 1 43 ? -12.145 -3.609 -4.760 1.00 47.67 ? 43 ALA a O 1 +ATOM 24269 C CB . ALA S 1 43 ? -14.512 -3.771 -2.338 1.00 43.73 ? 43 ALA a CB 1 +ATOM 24270 N N . ALA S 1 44 ? -11.598 -2.783 -2.729 1.00 43.46 ? 44 ALA a N 1 +ATOM 24271 C CA . ALA S 1 44 ? -10.651 -1.822 -3.288 1.00 43.84 ? 44 ALA a CA 1 +ATOM 24272 C C . ALA S 1 44 ? -9.534 -2.523 -4.059 1.00 50.18 ? 44 ALA a C 1 +ATOM 24273 O O . ALA S 1 44 ? -9.124 -2.056 -5.127 1.00 48.16 ? 44 ALA a O 1 +ATOM 24274 C CB . ALA S 1 44 ? -10.075 -0.950 -2.172 1.00 38.35 ? 44 ALA a CB 1 +ATOM 24275 N N . THR S 1 45 ? -9.036 -3.650 -3.529 1.00 47.67 ? 45 THR a N 1 +ATOM 24276 C CA . THR S 1 45 ? -7.916 -4.355 -4.149 1.00 46.89 ? 45 THR a CA 1 +ATOM 24277 C C . THR S 1 45 ? -8.321 -4.975 -5.476 1.00 50.31 ? 45 THR a C 1 +ATOM 24278 O O . THR S 1 45 ? -7.606 -4.849 -6.480 1.00 49.42 ? 45 THR a O 1 +ATOM 24279 C CB . THR S 1 45 ? -7.390 -5.445 -3.203 1.00 49.49 ? 45 THR a CB 1 +ATOM 24280 O OG1 . THR S 1 45 ? -6.824 -4.838 -2.041 1.00 48.39 ? 45 THR a OG1 1 +ATOM 24281 C CG2 . THR S 1 45 ? -6.332 -6.311 -3.883 1.00 42.36 ? 45 THR a CG2 1 +ATOM 24282 N N . ILE S 1 46 ? -9.451 -5.679 -5.496 1.00 44.90 ? 46 ILE a N 1 +ATOM 24283 C CA . ILE S 1 46 ? -9.859 -6.354 -6.721 1.00 45.38 ? 46 ILE a CA 1 +ATOM 24284 C C . ILE S 1 46 ? -10.151 -5.333 -7.816 1.00 53.67 ? 46 ILE a C 1 +ATOM 24285 O O . ILE S 1 46 ? -9.689 -5.463 -8.960 1.00 48.40 ? 46 ILE a O 1 +ATOM 24286 C CB . ILE S 1 46 ? -11.065 -7.265 -6.442 1.00 46.88 ? 46 ILE a CB 1 +ATOM 24287 C CG1 . ILE S 1 46 ? -10.622 -8.426 -5.538 1.00 50.89 ? 46 ILE a CG1 1 +ATOM 24288 C CG2 . ILE S 1 46 ? -11.655 -7.768 -7.764 1.00 43.66 ? 46 ILE a CG2 1 +ATOM 24289 C CD1 . ILE S 1 46 ? -11.758 -9.184 -4.919 1.00 58.42 ? 46 ILE a CD1 1 +ATOM 24290 N N . CYS S 1 47 ? -10.907 -4.289 -7.482 1.00 51.36 ? 47 CYS a N 1 +ATOM 24291 C CA . CYS S 1 47 ? -11.173 -3.263 -8.481 1.00 46.72 ? 47 CYS a CA 1 +ATOM 24292 C C . CYS S 1 47 ? -9.875 -2.625 -8.968 1.00 48.60 ? 47 CYS a C 1 +ATOM 24293 O O . CYS S 1 47 ? -9.714 -2.382 -10.163 1.00 44.83 ? 47 CYS a O 1 +ATOM 24294 C CB . CYS S 1 47 ? -12.131 -2.212 -7.919 1.00 44.91 ? 47 CYS a CB 1 +ATOM 24295 S SG . CYS S 1 47 ? -12.652 -0.984 -9.159 1.00 49.81 ? 47 CYS a SG 1 +ATOM 24296 N N . PHE S 1 48 ? -8.922 -2.381 -8.060 1.00 48.07 ? 48 PHE a N 1 +ATOM 24297 C CA . PHE S 1 48 ? -7.673 -1.740 -8.468 1.00 48.76 ? 48 PHE a CA 1 +ATOM 24298 C C . PHE S 1 48 ? -6.895 -2.608 -9.446 1.00 49.18 ? 48 PHE a C 1 +ATOM 24299 O O . PHE S 1 48 ? -6.340 -2.098 -10.426 1.00 47.64 ? 48 PHE a O 1 +ATOM 24300 C CB . PHE S 1 48 ? -6.800 -1.422 -7.253 1.00 44.66 ? 48 PHE a CB 1 +ATOM 24301 C CG . PHE S 1 48 ? -5.428 -0.943 -7.622 1.00 48.41 ? 48 PHE a CG 1 +ATOM 24302 C CD1 . PHE S 1 48 ? -5.231 0.370 -8.047 1.00 45.47 ? 48 PHE a CD1 1 +ATOM 24303 C CD2 . PHE S 1 48 ? -4.335 -1.797 -7.568 1.00 48.05 ? 48 PHE a CD2 1 +ATOM 24304 C CE1 . PHE S 1 48 ? -3.965 0.824 -8.396 1.00 46.10 ? 48 PHE a CE1 1 +ATOM 24305 C CE2 . PHE S 1 48 ? -3.066 -1.353 -7.920 1.00 45.43 ? 48 PHE a CE2 1 +ATOM 24306 C CZ . PHE S 1 48 ? -2.877 -0.048 -8.330 1.00 48.70 ? 48 PHE a CZ 1 +ATOM 24307 N N . VAL S 1 49 ? -6.830 -3.923 -9.189 1.00 46.13 ? 49 VAL a N 1 +ATOM 24308 C CA . VAL S 1 49 ? -6.039 -4.795 -10.050 1.00 44.32 ? 49 VAL a CA 1 +ATOM 24309 C C . VAL S 1 49 ? -6.689 -4.904 -11.427 1.00 50.75 ? 49 VAL a C 1 +ATOM 24310 O O . VAL S 1 49 ? -6.010 -4.868 -12.460 1.00 43.88 ? 49 VAL a O 1 +ATOM 24311 C CB . VAL S 1 49 ? -5.853 -6.170 -9.377 1.00 46.08 ? 49 VAL a CB 1 +ATOM 24312 C CG1 . VAL S 1 49 ? -5.240 -7.182 -10.340 1.00 45.95 ? 49 VAL a CG1 1 +ATOM 24313 C CG2 . VAL S 1 49 ? -4.971 -6.024 -8.116 1.00 49.00 ? 49 VAL a CG2 1 +ATOM 24314 N N . ILE S 1 50 ? -8.016 -5.017 -11.466 1.00 48.31 ? 50 ILE a N 1 +ATOM 24315 C CA . ILE S 1 50 ? -8.709 -5.106 -12.746 1.00 50.29 ? 50 ILE a CA 1 +ATOM 24316 C C . ILE S 1 50 ? -8.537 -3.804 -13.525 1.00 48.81 ? 50 ILE a C 1 +ATOM 24317 O O . ILE S 1 50 ? -8.192 -3.815 -14.710 1.00 46.11 ? 50 ILE a O 1 +ATOM 24318 C CB . ILE S 1 50 ? -10.196 -5.463 -12.535 1.00 45.66 ? 50 ILE a CB 1 +ATOM 24319 C CG1 . ILE S 1 50 ? -10.314 -6.846 -11.860 1.00 55.86 ? 50 ILE a CG1 1 +ATOM 24320 C CG2 . ILE S 1 50 ? -10.929 -5.455 -13.885 1.00 45.64 ? 50 ILE a CG2 1 +ATOM 24321 C CD1 . ILE S 1 50 ? -11.746 -7.379 -11.724 1.00 49.60 ? 50 ILE a CD1 1 +ATOM 24322 N N . ALA S 1 51 ? -8.748 -2.665 -12.855 1.00 46.54 ? 51 ALA a N 1 +ATOM 24323 C CA . ALA S 1 51 ? -8.613 -1.366 -13.503 1.00 48.47 ? 51 ALA a CA 1 +ATOM 24324 C C . ALA S 1 51 ? -7.183 -1.110 -13.979 1.00 48.69 ? 51 ALA a C 1 +ATOM 24325 O O . ALA S 1 51 ? -6.979 -0.603 -15.080 1.00 46.50 ? 51 ALA a O 1 +ATOM 24326 C CB . ALA S 1 51 ? -9.059 -0.258 -12.545 1.00 46.92 ? 51 ALA a CB 1 +ATOM 24327 N N . PHE S 1 52 ? -6.178 -1.425 -13.157 1.00 47.62 ? 52 PHE a N 1 +ATOM 24328 C CA . PHE S 1 52 ? -4.806 -1.165 -13.576 1.00 47.46 ? 52 PHE a CA 1 +ATOM 24329 C C . PHE S 1 52 ? -4.465 -1.959 -14.831 1.00 47.73 ? 52 PHE a C 1 +ATOM 24330 O O . PHE S 1 52 ? -3.704 -1.492 -15.684 1.00 49.59 ? 52 PHE a O 1 +ATOM 24331 C CB . PHE S 1 52 ? -3.830 -1.500 -12.436 1.00 41.82 ? 52 PHE a CB 1 +ATOM 24332 C CG . PHE S 1 52 ? -2.459 -0.910 -12.621 1.00 43.51 ? 52 PHE a CG 1 +ATOM 24333 C CD1 . PHE S 1 52 ? -1.470 -1.607 -13.313 1.00 44.47 ? 52 PHE a CD1 1 +ATOM 24334 C CD2 . PHE S 1 52 ? -2.159 0.354 -12.108 1.00 43.75 ? 52 PHE a CD2 1 +ATOM 24335 C CE1 . PHE S 1 52 ? -0.209 -1.062 -13.488 1.00 41.93 ? 52 PHE a CE1 1 +ATOM 24336 C CE2 . PHE S 1 52 ? -0.886 0.918 -12.271 1.00 47.34 ? 52 PHE a CE2 1 +ATOM 24337 C CZ . PHE S 1 52 ? 0.089 0.206 -12.972 1.00 41.37 ? 52 PHE a CZ 1 +ATOM 24338 N N . ILE S 1 53 ? -5.030 -3.154 -14.974 1.00 48.41 ? 53 ILE a N 1 +ATOM 24339 C CA . ILE S 1 53 ? -4.702 -3.974 -16.137 1.00 51.52 ? 53 ILE a CA 1 +ATOM 24340 C C . ILE S 1 53 ? -5.521 -3.568 -17.355 1.00 55.08 ? 53 ILE a C 1 +ATOM 24341 O O . ILE S 1 53 ? -4.995 -3.498 -18.475 1.00 46.82 ? 53 ILE a O 1 +ATOM 24342 C CB . ILE S 1 53 ? -4.887 -5.462 -15.795 1.00 47.78 ? 53 ILE a CB 1 +ATOM 24343 C CG1 . ILE S 1 53 ? -3.852 -5.893 -14.749 1.00 47.36 ? 53 ILE a CG1 1 +ATOM 24344 C CG2 . ILE S 1 53 ? -4.785 -6.327 -17.048 1.00 41.22 ? 53 ILE a CG2 1 +ATOM 24345 C CD1 . ILE S 1 53 ? -4.092 -7.319 -14.220 1.00 51.24 ? 53 ILE a CD1 1 +ATOM 24346 N N . ALA S 1 54 ? -6.810 -3.271 -17.178 1.00 40.94 ? 54 ALA a N 1 +ATOM 24347 C CA . ALA S 1 54 ? -7.689 -3.320 -18.338 1.00 45.29 ? 54 ALA a CA 1 +ATOM 24348 C C . ALA S 1 54 ? -8.681 -2.180 -18.490 1.00 43.39 ? 54 ALA a C 1 +ATOM 24349 O O . ALA S 1 54 ? -9.484 -2.237 -19.418 1.00 50.30 ? 54 ALA a O 1 +ATOM 24350 C CB . ALA S 1 54 ? -8.475 -4.644 -18.321 1.00 50.17 ? 54 ALA a CB 1 +ATOM 24351 N N . ALA S 1 55 ? -8.682 -1.165 -17.624 1.00 45.30 ? 55 ALA a N 1 +ATOM 24352 C CA . ALA S 1 55 ? -9.707 -0.141 -17.745 1.00 44.01 ? 55 ALA a CA 1 +ATOM 24353 C C . ALA S 1 55 ? -9.445 0.732 -18.975 1.00 48.03 ? 55 ALA a C 1 +ATOM 24354 O O . ALA S 1 55 ? -8.291 0.983 -19.329 1.00 47.48 ? 55 ALA a O 1 +ATOM 24355 C CB . ALA S 1 55 ? -9.770 0.712 -16.478 1.00 42.10 ? 55 ALA a CB 1 +ATOM 24356 N N . PRO S 1 56 ? -10.489 1.179 -19.668 1.00 52.03 ? 56 PRO a N 1 +ATOM 24357 C CA . PRO S 1 56 ? -10.293 2.045 -20.844 1.00 43.63 ? 56 PRO a CA 1 +ATOM 24358 C C . PRO S 1 56 ? -9.962 3.465 -20.417 1.00 48.72 ? 56 PRO a C 1 +ATOM 24359 O O . PRO S 1 56 ? -10.051 3.793 -19.218 1.00 44.05 ? 56 PRO a O 1 +ATOM 24360 C CB . PRO S 1 56 ? -11.650 1.956 -21.567 1.00 50.40 ? 56 PRO a CB 1 +ATOM 24361 C CG . PRO S 1 56 ? -12.637 1.753 -20.455 1.00 52.68 ? 56 PRO a CG 1 +ATOM 24362 C CD . PRO S 1 56 ? -11.914 0.865 -19.439 1.00 53.63 ? 56 PRO a CD 1 +ATOM 24363 N N A PRO S 1 57 ? -9.553 4.325 -21.356 0.40 47.75 ? 57 PRO a N 1 +ATOM 24364 N N B PRO S 1 57 ? -9.567 4.339 -21.354 0.60 47.84 ? 57 PRO a N 1 +ATOM 24365 C CA A PRO S 1 57 ? -9.108 5.674 -20.967 0.40 42.87 ? 57 PRO a CA 1 +ATOM 24366 C CA B PRO S 1 57 ? -9.136 5.698 -20.972 0.60 42.82 ? 57 PRO a CA 1 +ATOM 24367 C C A PRO S 1 57 ? -10.206 6.475 -20.280 0.40 45.67 ? 57 PRO a C 1 +ATOM 24368 C C B PRO S 1 57 ? -10.241 6.503 -20.294 0.60 45.73 ? 57 PRO a C 1 +ATOM 24369 O O A PRO S 1 57 ? -11.396 6.294 -20.548 0.40 44.62 ? 57 PRO a O 1 +ATOM 24370 O O B PRO S 1 57 ? -11.430 6.301 -20.543 0.60 44.63 ? 57 PRO a O 1 +ATOM 24371 C CB A PRO S 1 57 ? -8.696 6.311 -22.306 0.40 40.07 ? 57 PRO a CB 1 +ATOM 24372 C CB B PRO S 1 57 ? -8.723 6.325 -22.315 0.60 39.92 ? 57 PRO a CB 1 +ATOM 24373 C CG A PRO S 1 57 ? -8.228 5.115 -23.140 0.40 41.55 ? 57 PRO a CG 1 +ATOM 24374 C CG B PRO S 1 57 ? -8.297 5.150 -23.149 0.60 41.49 ? 57 PRO a CG 1 +ATOM 24375 C CD A PRO S 1 57 ? -9.217 4.016 -22.767 0.40 45.55 ? 57 PRO a CD 1 +ATOM 24376 C CD B PRO S 1 57 ? -9.258 4.046 -22.773 0.60 45.58 ? 57 PRO a CD 1 +ATOM 24377 N N A VAL S 1 58 ? -9.780 7.376 -19.389 0.40 42.31 ? 58 VAL a N 1 +ATOM 24378 N N B VAL S 1 58 ? -9.823 7.445 -19.440 0.60 42.30 ? 58 VAL a N 1 +ATOM 24379 C CA A VAL S 1 58 ? -10.654 8.123 -18.483 0.40 41.91 ? 58 VAL a CA 1 +ATOM 24380 C CA B VAL S 1 58 ? -10.698 8.170 -18.516 0.60 41.71 ? 58 VAL a CA 1 +ATOM 24381 C C A VAL S 1 58 ? -10.530 9.612 -18.766 0.40 47.01 ? 58 VAL a C 1 +ATOM 24382 C C B VAL S 1 58 ? -10.553 9.670 -18.754 0.60 47.18 ? 58 VAL a C 1 +ATOM 24383 O O A VAL S 1 58 ? -9.417 10.144 -18.899 0.40 47.56 ? 58 VAL a O 1 +ATOM 24384 O O B VAL S 1 58 ? -9.429 10.192 -18.816 0.60 47.65 ? 58 VAL a O 1 +ATOM 24385 C CB A VAL S 1 58 ? -10.310 7.840 -16.998 0.40 45.11 ? 58 VAL a CB 1 +ATOM 24386 C CB B VAL S 1 58 ? -10.361 7.832 -17.048 0.60 45.28 ? 58 VAL a CB 1 +ATOM 24387 C CG1 A VAL S 1 58 ? -11.057 8.809 -16.075 0.40 40.21 ? 58 VAL a CG1 1 +ATOM 24388 C CG1 B VAL S 1 58 ? -11.059 8.803 -16.076 0.60 40.05 ? 58 VAL a CG1 1 +ATOM 24389 C CG2 A VAL S 1 58 ? -10.612 6.368 -16.628 0.40 42.84 ? 58 VAL a CG2 1 +ATOM 24390 C CG2 B VAL S 1 58 ? -10.715 6.369 -16.721 0.60 42.88 ? 58 VAL a CG2 1 +ATOM 24391 N N A ASP S 1 59 ? -11.677 10.303 -18.791 0.40 46.96 ? 59 ASP a N 1 +ATOM 24392 N N B ASP S 1 59 ? -11.688 10.376 -18.834 0.60 47.12 ? 59 ASP a N 1 +ATOM 24393 C CA A ASP S 1 59 ? -11.708 11.748 -19.040 0.40 46.27 ? 59 ASP a CA 1 +ATOM 24394 C CA B ASP S 1 59 ? -11.682 11.821 -19.088 0.60 46.29 ? 59 ASP a CA 1 +ATOM 24395 C C A ASP S 1 59 ? -11.527 12.507 -17.720 0.40 50.94 ? 59 ASP a C 1 +ATOM 24396 C C B ASP S 1 59 ? -11.475 12.555 -17.765 0.60 51.23 ? 59 ASP a C 1 +ATOM 24397 O O A ASP S 1 59 ? -12.455 13.107 -17.164 0.40 47.70 ? 59 ASP a O 1 +ATOM 24398 O O B ASP S 1 59 ? -12.405 13.101 -17.167 0.60 47.73 ? 59 ASP a O 1 +ATOM 24399 C CB A ASP S 1 59 ? -12.997 12.138 -19.757 0.40 48.68 ? 59 ASP a CB 1 +ATOM 24400 C CB B ASP S 1 59 ? -12.969 12.268 -19.782 0.60 48.52 ? 59 ASP a CB 1 +ATOM 24401 C CG A ASP S 1 59 ? -13.063 13.630 -20.078 0.40 49.86 ? 59 ASP a CG 1 +ATOM 24402 C CG B ASP S 1 59 ? -12.978 13.763 -20.093 0.60 50.36 ? 59 ASP a CG 1 +ATOM 24403 O OD1 A ASP S 1 59 ? -11.997 14.248 -20.324 0.40 48.82 ? 59 ASP a OD1 1 +ATOM 24404 O OD1 B ASP S 1 59 ? -11.889 14.321 -20.357 0.60 48.95 ? 59 ASP a OD1 1 +ATOM 24405 O OD2 A ASP S 1 59 ? -14.181 14.192 -20.032 0.40 49.52 ? 59 ASP a OD2 1 +ATOM 24406 O OD2 B ASP S 1 59 ? -14.060 14.396 -20.029 0.60 49.72 ? 59 ASP a OD2 1 +ATOM 24407 N N A ILE S 1 60 ? -10.274 12.536 -17.254 0.40 45.82 ? 60 ILE a N 1 +ATOM 24408 N N B ILE S 1 60 ? -10.210 12.616 -17.336 0.60 45.88 ? 60 ILE a N 1 +ATOM 24409 C CA A ILE S 1 60 ? -9.969 13.061 -15.927 0.40 45.64 ? 60 ILE a CA 1 +ATOM 24410 C CA B ILE S 1 60 ? -9.905 13.091 -15.989 0.60 45.56 ? 60 ILE a CA 1 +ATOM 24411 C C A ILE S 1 60 ? -10.423 14.510 -15.794 0.40 52.11 ? 60 ILE a C 1 +ATOM 24412 C C B ILE S 1 60 ? -10.357 14.536 -15.802 0.60 52.32 ? 60 ILE a C 1 +ATOM 24413 O O A ILE S 1 60 ? -11.088 14.883 -14.818 0.40 48.86 ? 60 ILE a O 1 +ATOM 24414 O O B ILE S 1 60 ? -11.036 14.866 -14.822 0.60 48.93 ? 60 ILE a O 1 +ATOM 24415 C CB A ILE S 1 60 ? -8.468 12.910 -15.620 0.40 47.15 ? 60 ILE a CB 1 +ATOM 24416 C CB B ILE S 1 60 ? -8.409 12.915 -15.665 0.60 47.29 ? 60 ILE a CB 1 +ATOM 24417 C CG1 A ILE S 1 60 ? -8.138 13.579 -14.273 0.40 44.30 ? 60 ILE a CG1 1 +ATOM 24418 C CG1 B ILE S 1 60 ? -8.098 13.507 -14.276 0.60 44.35 ? 60 ILE a CG1 1 +ATOM 24419 C CG2 A ILE S 1 60 ? -7.613 13.481 -16.782 0.40 42.98 ? 60 ILE a CG2 1 +ATOM 24420 C CG2 B ILE S 1 60 ? -7.527 13.529 -16.763 0.60 42.90 ? 60 ILE a CG2 1 +ATOM 24421 C CD1 A ILE S 1 60 ? -6.704 13.324 -13.784 0.40 43.05 ? 60 ILE a CD1 1 +ATOM 24422 C CD1 B ILE S 1 60 ? -6.636 13.366 -13.835 0.60 42.98 ? 60 ILE a CD1 1 +ATOM 24423 N N A ASP S 1 61 ? -10.076 15.353 -16.763 0.40 48.69 ? 61 ASP a N 1 +ATOM 24424 N N B ASP S 1 61 ? -9.998 15.419 -16.733 0.60 48.81 ? 61 ASP a N 1 +ATOM 24425 C CA A ASP S 1 61 ? -10.308 16.782 -16.601 0.40 48.37 ? 61 ASP a CA 1 +ATOM 24426 C CA B ASP S 1 61 ? -10.235 16.848 -16.550 0.60 48.44 ? 61 ASP a CA 1 +ATOM 24427 C C A ASP S 1 61 ? -11.633 17.253 -17.186 0.40 44.31 ? 61 ASP a C 1 +ATOM 24428 C C B ASP S 1 61 ? -11.556 17.331 -17.141 0.60 44.31 ? 61 ASP a C 1 +ATOM 24429 O O A ASP S 1 61 ? -11.853 18.459 -17.264 0.40 49.30 ? 61 ASP a O 1 +ATOM 24430 O O B ASP S 1 61 ? -11.755 18.543 -17.255 0.60 49.49 ? 61 ASP a O 1 +ATOM 24431 C CB A ASP S 1 61 ? -9.131 17.574 -17.184 0.40 44.94 ? 61 ASP a CB 1 +ATOM 24432 C CB B ASP S 1 61 ? -9.066 17.660 -17.126 0.60 44.70 ? 61 ASP a CB 1 +ATOM 24433 C CG A ASP S 1 61 ? -7.852 17.348 -16.377 0.40 51.11 ? 61 ASP a CG 1 +ATOM 24434 C CG B ASP S 1 61 ? -7.784 17.466 -16.327 0.60 51.38 ? 61 ASP a CG 1 +ATOM 24435 O OD1 A ASP S 1 61 ? -7.952 17.298 -15.128 0.40 48.14 ? 61 ASP a OD1 1 +ATOM 24436 O OD1 B ASP S 1 61 ? -7.872 17.387 -15.086 0.60 48.24 ? 61 ASP a OD1 1 +ATOM 24437 O OD2 A ASP S 1 61 ? -6.759 17.195 -16.964 0.40 52.34 ? 61 ASP a OD2 1 +ATOM 24438 O OD2 B ASP S 1 61 ? -6.691 17.370 -16.924 0.60 52.72 ? 61 ASP a OD2 1 +ATOM 24439 N N A GLY S 1 62 ? -12.532 16.335 -17.547 0.40 46.82 ? 62 GLY a N 1 +ATOM 24440 N N B GLY S 1 62 ? -12.472 16.424 -17.477 0.60 46.72 ? 62 GLY a N 1 +ATOM 24441 C CA A GLY S 1 62 ? -13.885 16.715 -17.911 0.40 47.34 ? 62 GLY a CA 1 +ATOM 24442 C CA B GLY S 1 62 ? -13.816 16.830 -17.840 0.60 47.01 ? 62 GLY a CA 1 +ATOM 24443 C C A GLY S 1 62 ? -14.027 17.406 -19.249 0.40 52.03 ? 62 GLY a C 1 +ATOM 24444 C C B GLY S 1 62 ? -13.960 17.443 -19.208 0.60 52.24 ? 62 GLY a C 1 +ATOM 24445 O O A GLY S 1 62 ? -15.085 17.978 -19.515 0.40 48.95 ? 62 GLY a O 1 +ATOM 24446 O O B GLY S 1 62 ? -15.050 17.921 -19.535 0.60 49.00 ? 62 GLY a O 1 +ATOM 24447 N N A ILE S 1 63 ? -13.001 17.353 -20.102 0.40 47.32 ? 63 ILE a N 1 +ATOM 24448 N N B ILE S 1 63 ? -12.909 17.426 -20.025 0.60 47.33 ? 63 ILE a N 1 +ATOM 24449 C CA A ILE S 1 63 ? -12.963 18.065 -21.375 0.40 44.72 ? 63 ILE a CA 1 +ATOM 24450 C CA B ILE S 1 63 ? -12.858 18.129 -21.304 0.60 44.52 ? 63 ILE a CA 1 +ATOM 24451 C C A ILE S 1 63 ? -12.940 17.086 -22.538 0.40 51.33 ? 63 ILE a C 1 +ATOM 24452 C C B ILE S 1 63 ? -12.894 17.160 -22.483 0.60 51.37 ? 63 ILE a C 1 +ATOM 24453 O O A ILE S 1 63 ? -12.431 17.410 -23.615 0.40 48.57 ? 63 ILE a O 1 +ATOM 24454 O O B ILE S 1 63 ? -12.440 17.506 -23.574 0.60 48.70 ? 63 ILE a O 1 +ATOM 24455 C CB A ILE S 1 63 ? -11.744 19.000 -21.436 0.40 52.24 ? 63 ILE a CB 1 +ATOM 24456 C CB B ILE S 1 63 ? -11.624 19.044 -21.381 0.60 52.60 ? 63 ILE a CB 1 +ATOM 24457 C CG1 A ILE S 1 63 ? -10.469 18.231 -21.065 0.40 47.47 ? 63 ILE a CG1 1 +ATOM 24458 C CG1 B ILE S 1 63 ? -10.352 18.246 -21.054 0.60 47.53 ? 63 ILE a CG1 1 +ATOM 24459 C CG2 A ILE S 1 63 ? -11.969 20.232 -20.525 0.40 45.09 ? 63 ILE a CG2 1 +ATOM 24460 C CG2 B ILE S 1 63 ? -11.785 20.243 -20.439 0.60 44.77 ? 63 ILE a CG2 1 +ATOM 24461 C CD1 A ILE S 1 63 ? -9.171 18.956 -21.412 0.40 45.66 ? 63 ILE a CD1 1 +ATOM 24462 C CD1 B ILE S 1 63 ? -9.049 19.011 -21.275 0.60 45.15 ? 63 ILE a CD1 1 +ATOM 24463 N N A ARG S 1 64 ? -13.485 15.881 -22.330 0.40 48.67 ? 64 ARG a N 1 +ATOM 24464 N N B ARG S 1 64 ? -13.414 15.943 -22.274 0.60 48.82 ? 64 ARG a N 1 +ATOM 24465 C CA A ARG S 1 64 ? -13.579 14.871 -23.382 0.40 45.06 ? 64 ARG a CA 1 +ATOM 24466 C CA B ARG S 1 64 ? -13.529 14.947 -23.336 0.60 45.03 ? 64 ARG a CA 1 +ATOM 24467 C C A ARG S 1 64 ? -12.206 14.600 -23.991 0.40 51.35 ? 64 ARG a C 1 +ATOM 24468 C C B ARG S 1 64 ? -12.162 14.672 -23.968 0.60 51.53 ? 64 ARG a C 1 +ATOM 24469 O O A ARG S 1 64 ? -12.044 14.537 -25.212 0.40 48.14 ? 64 ARG a O 1 +ATOM 24470 O O B ARG S 1 64 ? -12.003 14.638 -25.195 0.60 48.16 ? 64 ARG a O 1 +ATOM 24471 C CB A ARG S 1 64 ? -14.589 15.286 -24.465 0.40 44.81 ? 64 ARG a CB 1 +ATOM 24472 C CB B ARG S 1 64 ? -14.545 15.375 -24.402 0.60 44.98 ? 64 ARG a CB 1 +ATOM 24473 C CG A ARG S 1 64 ? -15.869 15.913 -23.918 0.40 45.01 ? 64 ARG a CG 1 +ATOM 24474 C CG B ARG S 1 64 ? -15.817 15.986 -23.837 0.60 45.02 ? 64 ARG a CG 1 +ATOM 24475 C CD A ARG S 1 64 ? -16.580 14.930 -22.959 0.40 46.69 ? 64 ARG a CD 1 +ATOM 24476 C CD B ARG S 1 64 ? -16.568 14.995 -22.978 0.60 46.75 ? 64 ARG a CD 1 +ATOM 24477 N NE A ARG S 1 64 ? -17.708 15.554 -22.272 0.40 50.27 ? 64 ARG a NE 1 +ATOM 24478 N NE B ARG S 1 64 ? -17.698 15.615 -22.296 0.60 50.36 ? 64 ARG a NE 1 +ATOM 24479 C CZ A ARG S 1 64 ? -18.900 15.778 -22.815 0.40 52.02 ? 64 ARG a CZ 1 +ATOM 24480 C CZ B ARG S 1 64 ? -18.888 15.826 -22.844 0.60 52.21 ? 64 ARG a CZ 1 +ATOM 24481 N NH1 A ARG S 1 64 ? -19.155 15.485 -24.088 0.40 46.06 ? 64 ARG a NH1 1 +ATOM 24482 N NH1 B ARG S 1 64 ? -19.124 15.552 -24.123 0.60 46.00 ? 64 ARG a NH1 1 +ATOM 24483 N NH2 A ARG S 1 64 ? -19.856 16.320 -22.066 0.40 44.75 ? 64 ARG a NH2 1 +ATOM 24484 N NH2 B ARG S 1 64 ? -19.865 16.325 -22.095 0.60 44.72 ? 64 ARG a NH2 1 +ATOM 24485 N N A GLU S 1 65 ? -11.203 14.455 -23.128 0.40 48.65 ? 65 GLU a N 1 +ATOM 24486 N N B GLU S 1 65 ? -11.162 14.481 -23.112 0.60 48.61 ? 65 GLU a N 1 +ATOM 24487 C CA A GLU S 1 65 ? -9.830 14.177 -23.546 0.40 55.12 ? 65 GLU a CA 1 +ATOM 24488 C CA B GLU S 1 65 ? -9.793 14.200 -23.538 0.60 55.34 ? 65 GLU a CA 1 +ATOM 24489 C C A GLU S 1 65 ? -9.329 13.013 -22.694 0.40 49.10 ? 65 GLU a C 1 +ATOM 24490 C C B GLU S 1 65 ? -9.276 13.058 -22.671 0.60 49.16 ? 65 GLU a C 1 +ATOM 24491 O O A GLU S 1 65 ? -8.574 13.203 -21.734 0.40 51.50 ? 65 GLU a O 1 +ATOM 24492 O O B GLU S 1 65 ? -8.540 13.279 -21.699 0.60 51.65 ? 65 GLU a O 1 +ATOM 24493 C CB A GLU S 1 65 ? -8.952 15.419 -23.398 0.40 46.71 ? 65 GLU a CB 1 +ATOM 24494 C CB B GLU S 1 65 ? -8.923 15.447 -23.415 0.60 46.55 ? 65 GLU a CB 1 +ATOM 24495 C CG A GLU S 1 65 ? -7.607 15.322 -24.082 0.40 51.20 ? 65 GLU a CG 1 +ATOM 24496 C CG B GLU S 1 65 ? -7.563 15.330 -24.055 0.60 51.19 ? 65 GLU a CG 1 +ATOM 24497 C CD A GLU S 1 65 ? -6.662 16.457 -23.686 0.40 66.65 ? 65 GLU a CD 1 +ATOM 24498 C CD B GLU S 1 65 ? -6.673 16.509 -23.687 0.60 67.01 ? 65 GLU a CD 1 +ATOM 24499 O OE1 A GLU S 1 65 ? -7.049 17.652 -23.754 0.40 58.96 ? 65 GLU a OE1 1 +ATOM 24500 O OE1 B GLU S 1 65 ? -7.137 17.669 -23.770 0.60 59.18 ? 65 GLU a OE1 1 +ATOM 24501 O OE2 A GLU S 1 65 ? -5.518 16.149 -23.287 0.40 68.90 ? 65 GLU a OE2 1 +ATOM 24502 O OE2 B GLU S 1 65 ? -5.508 16.276 -23.291 0.60 69.50 ? 65 GLU a OE2 1 +ATOM 24503 N N A PRO S 1 66 ? -9.727 11.794 -23.020 0.40 49.29 ? 66 PRO a N 1 +ATOM 24504 N N B PRO S 1 66 ? -9.651 11.827 -22.985 0.60 49.11 ? 66 PRO a N 1 +ATOM 24505 C CA A PRO S 1 66 ? -9.467 10.672 -22.106 0.40 51.10 ? 66 PRO a CA 1 +ATOM 24506 C CA B PRO S 1 66 ? -9.381 10.717 -22.057 0.60 51.21 ? 66 PRO a CA 1 +ATOM 24507 C C A PRO S 1 66 ? -7.980 10.342 -22.003 0.40 51.43 ? 66 PRO a C 1 +ATOM 24508 C C B PRO S 1 66 ? -7.894 10.384 -21.959 0.60 51.52 ? 66 PRO a C 1 +ATOM 24509 O O A PRO S 1 66 ? -7.251 10.319 -22.996 0.40 46.89 ? 66 PRO a O 1 +ATOM 24510 O O B PRO S 1 66 ? -7.172 10.363 -22.958 0.60 46.92 ? 66 PRO a O 1 +ATOM 24511 C CB A PRO S 1 66 ? -10.255 9.511 -22.730 0.40 48.47 ? 66 PRO a CB 1 +ATOM 24512 C CB B PRO S 1 66 ? -10.178 9.551 -22.662 0.60 48.47 ? 66 PRO a CB 1 +ATOM 24513 C CG A PRO S 1 66 ? -11.211 10.140 -23.715 0.40 52.24 ? 66 PRO a CG 1 +ATOM 24514 C CG B PRO S 1 66 ? -11.202 10.213 -23.583 0.60 52.31 ? 66 PRO a CG 1 +ATOM 24515 C CD A PRO S 1 66 ? -10.492 11.377 -24.211 0.40 46.34 ? 66 PRO a CD 1 +ATOM 24516 C CD B PRO S 1 66 ? -10.508 11.424 -24.115 0.60 46.32 ? 66 PRO a CD 1 +ATOM 24517 N N A VAL S 1 67 ? -7.543 10.059 -20.780 0.40 44.50 ? 67 VAL a N 1 +ATOM 24518 N N B VAL S 1 67 ? -7.446 10.112 -20.734 0.60 44.22 ? 67 VAL a N 1 +ATOM 24519 C CA A VAL S 1 67 ? -6.164 9.697 -20.489 0.40 42.87 ? 67 VAL a CA 1 +ATOM 24520 C CA B VAL S 1 67 ? -6.073 9.700 -20.460 0.60 42.73 ? 67 VAL a CA 1 +ATOM 24521 C C A VAL S 1 67 ? -6.097 8.189 -20.297 0.40 48.99 ? 67 VAL a C 1 +ATOM 24522 C C B VAL S 1 67 ? -6.053 8.188 -20.270 0.60 49.13 ? 67 VAL a C 1 +ATOM 24523 O O A VAL S 1 67 ? -6.870 7.626 -19.513 0.40 50.46 ? 67 VAL a O 1 +ATOM 24524 O O B VAL S 1 67 ? -6.859 7.642 -19.506 0.60 50.66 ? 67 VAL a O 1 +ATOM 24525 C CB A VAL S 1 67 ? -5.662 10.437 -19.238 0.40 46.58 ? 67 VAL a CB 1 +ATOM 24526 C CB B VAL S 1 67 ? -5.517 10.416 -19.216 0.60 46.74 ? 67 VAL a CB 1 +ATOM 24527 C CG1 A VAL S 1 67 ? -4.275 9.950 -18.857 0.40 46.58 ? 67 VAL a CG1 1 +ATOM 24528 C CG1 B VAL S 1 67 ? -4.119 9.905 -18.885 0.60 46.66 ? 67 VAL a CG1 1 +ATOM 24529 C CG2 A VAL S 1 67 ? -5.670 11.960 -19.494 0.40 44.76 ? 67 VAL a CG2 1 +ATOM 24530 C CG2 B VAL S 1 67 ? -5.501 11.931 -19.441 0.60 44.59 ? 67 VAL a CG2 1 +ATOM 24531 N N A SER S 1 68 ? -5.176 7.531 -21.000 0.40 44.66 ? 68 SER a N 1 +ATOM 24532 N N B SER S 1 68 ? -5.130 7.507 -20.947 0.60 44.55 ? 68 SER a N 1 +ATOM 24533 C CA A SER S 1 68 ? -5.041 6.082 -20.892 0.40 48.69 ? 68 SER a CA 1 +ATOM 24534 C CA B SER S 1 68 ? -5.036 6.056 -20.839 0.60 48.70 ? 68 SER a CA 1 +ATOM 24535 C C A SER S 1 68 ? -4.214 5.703 -19.660 0.40 47.74 ? 68 SER a C 1 +ATOM 24536 C C B SER S 1 68 ? -4.202 5.670 -19.619 0.60 47.77 ? 68 SER a C 1 +ATOM 24537 O O A SER S 1 68 ? -3.055 6.108 -19.525 0.40 47.74 ? 68 SER a O 1 +ATOM 24538 O O B SER S 1 68 ? -3.038 6.068 -19.500 0.60 47.71 ? 68 SER a O 1 +ATOM 24539 C CB A SER S 1 68 ? -4.416 5.509 -22.167 0.40 48.88 ? 68 SER a CB 1 +ATOM 24540 C CB B SER S 1 68 ? -4.438 5.452 -22.114 0.60 49.02 ? 68 SER a CB 1 +ATOM 24541 O OG A SER S 1 68 ? -4.103 4.141 -21.982 0.40 59.02 ? 68 SER a OG 1 +ATOM 24542 O OG B SER S 1 68 ? -4.175 4.070 -21.917 0.60 59.19 ? 68 SER a OG 1 +ATOM 24543 N N A GLY S 1 69 ? -4.791 4.895 -18.777 0.40 48.93 ? 69 GLY a N 1 +ATOM 24544 N N B GLY S 1 69 ? -4.785 4.884 -18.718 0.60 49.07 ? 69 GLY a N 1 +ATOM 24545 C CA A GLY S 1 69 ? -4.066 4.505 -17.587 0.40 41.82 ? 69 GLY a CA 1 +ATOM 24546 C CA B GLY S 1 69 ? -4.061 4.491 -17.529 0.60 41.61 ? 69 GLY a CA 1 +ATOM 24547 C C A GLY S 1 69 ? -3.622 3.055 -17.517 0.40 51.43 ? 69 GLY a C 1 +ATOM 24548 C C B GLY S 1 69 ? -3.633 3.035 -17.482 0.60 51.69 ? 69 GLY a C 1 +ATOM 24549 O O A GLY S 1 69 ? -2.695 2.740 -16.764 0.40 48.14 ? 69 GLY a O 1 +ATOM 24550 O O B GLY S 1 69 ? -2.708 2.691 -16.738 0.60 48.23 ? 69 GLY a O 1 +ATOM 24551 N N . SER S 1 70 ? -4.279 2.163 -18.251 1.00 43.42 ? 70 SER a N 1 +ATOM 24552 C CA . SER S 1 70 ? -4.145 0.724 -18.009 1.00 46.06 ? 70 SER a CA 1 +ATOM 24553 C C . SER S 1 70 ? -3.109 0.082 -18.933 1.00 44.45 ? 70 SER a C 1 +ATOM 24554 O O . SER S 1 70 ? -2.743 0.626 -19.982 1.00 41.75 ? 70 SER a O 1 +ATOM 24555 C CB . SER S 1 70 ? -5.496 0.009 -18.151 1.00 42.48 ? 70 SER a CB 1 +ATOM 24556 O OG . SER S 1 70 ? -5.885 -0.082 -19.521 1.00 48.08 ? 70 SER a OG 1 +ATOM 24557 N N . LEU S 1 71 ? -2.638 -1.095 -18.512 1.00 43.92 ? 71 LEU a N 1 +ATOM 24558 C CA . LEU S 1 71 ? -1.581 -1.794 -19.242 1.00 47.09 ? 71 LEU a CA 1 +ATOM 24559 C C . LEU S 1 71 ? -2.035 -2.228 -20.633 1.00 49.96 ? 71 LEU a C 1 +ATOM 24560 O O . LEU S 1 71 ? -1.257 -2.153 -21.592 1.00 49.75 ? 71 LEU a O 1 +ATOM 24561 C CB . LEU S 1 71 ? -1.106 -3.012 -18.442 1.00 42.13 ? 71 LEU a CB 1 +ATOM 24562 C CG . LEU S 1 71 ? -0.509 -2.825 -17.033 1.00 53.49 ? 71 LEU a CG 1 +ATOM 24563 C CD1 . LEU S 1 71 ? -0.154 -4.194 -16.429 1.00 45.40 ? 71 LEU a CD1 1 +ATOM 24564 C CD2 . LEU S 1 71 ? 0.704 -1.881 -17.032 1.00 43.59 ? 71 LEU a CD2 1 +ATOM 24565 N N . LEU S 1 72 ? -3.275 -2.717 -20.763 1.00 45.45 ? 72 LEU a N 1 +ATOM 24566 C CA . LEU S 1 72 ? -3.746 -3.160 -22.073 1.00 45.77 ? 72 LEU a CA 1 +ATOM 24567 C C . LEU S 1 72 ? -3.901 -2.012 -23.055 1.00 52.48 ? 72 LEU a C 1 +ATOM 24568 O O . LEU S 1 72 ? -3.891 -2.247 -24.270 1.00 53.28 ? 72 LEU a O 1 +ATOM 24569 C CB . LEU S 1 72 ? -5.075 -3.917 -21.951 1.00 57.61 ? 72 LEU a CB 1 +ATOM 24570 C CG . LEU S 1 72 ? -4.914 -5.390 -21.490 1.00 78.62 ? 72 LEU a CG 1 +ATOM 24571 C CD1 . LEU S 1 72 ? -6.232 -6.021 -21.057 1.00 58.43 ? 72 LEU a CD1 1 +ATOM 24572 C CD2 . LEU S 1 72 ? -4.264 -6.244 -22.573 1.00 61.43 ? 72 LEU a CD2 1 +ATOM 24573 N N . TYR S 1 73 ? -4.039 -0.777 -22.570 1.00 49.60 ? 73 TYR a N 1 +ATOM 24574 C CA . TYR S 1 73 ? -4.157 0.375 -23.457 1.00 47.51 ? 73 TYR a CA 1 +ATOM 24575 C C . TYR S 1 73 ? -2.851 1.162 -23.560 1.00 50.25 ? 73 TYR a C 1 +ATOM 24576 O O . TYR S 1 73 ? -2.866 2.390 -23.641 1.00 46.76 ? 73 TYR a O 1 +ATOM 24577 C CB . TYR S 1 73 ? -5.305 1.269 -23.004 1.00 44.85 ? 73 TYR a CB 1 +ATOM 24578 C CG . TYR S 1 73 ? -6.671 0.674 -23.241 1.00 48.06 ? 73 TYR a CG 1 +ATOM 24579 C CD1 . TYR S 1 73 ? -7.138 -0.382 -22.466 1.00 46.20 ? 73 TYR a CD1 1 +ATOM 24580 C CD2 . TYR S 1 73 ? -7.494 1.164 -24.248 1.00 55.08 ? 73 TYR a CD2 1 +ATOM 24581 C CE1 . TYR S 1 73 ? -8.378 -0.918 -22.678 1.00 56.27 ? 73 TYR a CE1 1 +ATOM 24582 C CE2 . TYR S 1 73 ? -8.745 0.633 -24.470 1.00 50.82 ? 73 TYR a CE2 1 +ATOM 24583 C CZ . TYR S 1 73 ? -9.189 -0.403 -23.681 1.00 61.06 ? 73 TYR a CZ 1 +ATOM 24584 O OH . TYR S 1 73 ? -10.441 -0.939 -23.905 1.00 63.96 ? 73 TYR a OH 1 +ATOM 24585 N N . GLY S 1 74 ? -1.707 0.475 -23.563 1.00 46.14 ? 74 GLY a N 1 +ATOM 24586 C CA . GLY S 1 74 ? -0.444 1.094 -23.917 1.00 47.68 ? 74 GLY a CA 1 +ATOM 24587 C C . GLY S 1 74 ? 0.380 1.661 -22.785 1.00 50.64 ? 74 GLY a C 1 +ATOM 24588 O O . GLY S 1 74 ? 1.156 2.592 -23.011 1.00 51.98 ? 74 GLY a O 1 +ATOM 24589 N N . ASN S 1 75 ? 0.230 1.155 -21.565 1.00 49.74 ? 75 ASN a N 1 +ATOM 24590 C CA . ASN S 1 75 ? 1.017 1.630 -20.438 1.00 42.65 ? 75 ASN a CA 1 +ATOM 24591 C C . ASN S 1 75 ? 1.991 0.561 -19.969 1.00 49.97 ? 75 ASN a C 1 +ATOM 24592 O O . ASN S 1 75 ? 1.809 -0.632 -20.217 1.00 47.46 ? 75 ASN a O 1 +ATOM 24593 C CB . ASN S 1 75 ? 0.107 2.061 -19.298 1.00 45.35 ? 75 ASN a CB 1 +ATOM 24594 C CG . ASN S 1 75 ? -0.444 3.451 -19.511 1.00 51.14 ? 75 ASN a CG 1 +ATOM 24595 O OD1 . ASN S 1 75 ? 0.228 4.434 -19.228 1.00 46.81 ? 75 ASN a OD1 1 +ATOM 24596 N ND2 . ASN S 1 75 ? -1.649 3.541 -20.050 1.00 44.83 ? 75 ASN a ND2 1 +ATOM 24597 N N . ASN S 1 76 ? 3.069 1.000 -19.326 1.00 45.39 ? 76 ASN a N 1 +ATOM 24598 C CA . ASN S 1 76 ? 3.902 0.037 -18.630 1.00 45.63 ? 76 ASN a CA 1 +ATOM 24599 C C . ASN S 1 76 ? 3.688 0.233 -17.116 1.00 47.34 ? 76 ASN a C 1 +ATOM 24600 O O . ASN S 1 76 ? 2.763 0.945 -16.673 1.00 47.00 ? 76 ASN a O 1 +ATOM 24601 C CB . ASN S 1 76 ? 5.366 0.158 -19.093 1.00 43.45 ? 76 ASN a CB 1 +ATOM 24602 C CG . ASN S 1 76 ? 5.988 1.532 -18.795 1.00 48.18 ? 76 ASN a CG 1 +ATOM 24603 O OD1 . ASN S 1 76 ? 5.638 2.192 -17.816 1.00 48.51 ? 76 ASN a OD1 1 +ATOM 24604 N ND2 . ASN S 1 76 ? 6.922 1.954 -19.641 1.00 42.39 ? 76 ASN a ND2 1 +ATOM 24605 N N . ILE S 1 77 ? 4.535 -0.409 -16.309 1.00 47.46 ? 77 ILE a N 1 +ATOM 24606 C CA . ILE S 1 77 ? 4.373 -0.345 -14.855 1.00 42.73 ? 77 ILE a CA 1 +ATOM 24607 C C . ILE S 1 77 ? 4.553 1.084 -14.354 1.00 45.54 ? 77 ILE a C 1 +ATOM 24608 O O . ILE S 1 77 ? 3.855 1.538 -13.428 1.00 46.67 ? 77 ILE a O 1 +ATOM 24609 C CB . ILE S 1 77 ? 5.374 -1.299 -14.173 1.00 51.02 ? 77 ILE a CB 1 +ATOM 24610 C CG1 . ILE S 1 77 ? 4.971 -2.758 -14.383 1.00 49.39 ? 77 ILE a CG1 1 +ATOM 24611 C CG2 . ILE S 1 77 ? 5.481 -0.985 -12.694 1.00 42.04 ? 77 ILE a CG2 1 +ATOM 24612 C CD1 . ILE S 1 77 ? 3.671 -3.099 -13.703 1.00 58.34 ? 77 ILE a CD1 1 +ATOM 24613 N N . ILE S 1 78 ? 5.517 1.802 -14.937 1.00 48.17 ? 78 ILE a N 1 +ATOM 24614 C CA . ILE S 1 78 ? 5.864 3.150 -14.494 1.00 42.97 ? 78 ILE a CA 1 +ATOM 24615 C C . ILE S 1 78 ? 4.836 4.181 -14.962 1.00 51.64 ? 78 ILE a C 1 +ATOM 24616 O O . ILE S 1 78 ? 4.590 5.176 -14.260 1.00 44.99 ? 78 ILE a O 1 +ATOM 24617 C CB . ILE S 1 78 ? 7.278 3.501 -14.995 1.00 42.15 ? 78 ILE a CB 1 +ATOM 24618 C CG1 . ILE S 1 78 ? 8.278 2.459 -14.504 1.00 40.28 ? 78 ILE a CG1 1 +ATOM 24619 C CG2 . ILE S 1 78 ? 7.690 4.900 -14.566 1.00 39.55 ? 78 ILE a CG2 1 +ATOM 24620 C CD1 . ILE S 1 78 ? 8.371 2.405 -13.008 1.00 40.27 ? 78 ILE a CD1 1 +ATOM 24621 N N A THR S 1 79 ? 4.233 3.984 -16.143 0.40 45.61 ? 79 THR a N 1 +ATOM 24622 N N B THR S 1 79 ? 4.228 3.996 -16.146 0.60 45.66 ? 79 THR a N 1 +ATOM 24623 C CA A THR S 1 79 ? 3.310 5.005 -16.636 0.40 45.12 ? 79 THR a CA 1 +ATOM 24624 C CA B THR S 1 79 ? 3.314 5.013 -16.661 0.60 45.12 ? 79 THR a CA 1 +ATOM 24625 C C A THR S 1 79 ? 1.853 4.719 -16.291 0.40 46.29 ? 79 THR a C 1 +ATOM 24626 C C B THR S 1 79 ? 1.853 4.728 -16.328 0.60 46.37 ? 79 THR a C 1 +ATOM 24627 O O A THR S 1 79 ? 1.036 5.643 -16.343 0.40 50.12 ? 79 THR a O 1 +ATOM 24628 O O B THR S 1 79 ? 1.038 5.654 -16.366 0.60 50.30 ? 79 THR a O 1 +ATOM 24629 C CB A THR S 1 79 ? 3.438 5.195 -18.163 0.40 44.83 ? 79 THR a CB 1 +ATOM 24630 C CB B THR S 1 79 ? 3.464 5.180 -18.186 0.60 44.91 ? 79 THR a CB 1 +ATOM 24631 O OG1 A THR S 1 79 ? 2.823 4.094 -18.849 0.40 44.49 ? 79 THR a OG1 1 +ATOM 24632 O OG1 B THR S 1 79 ? 2.866 4.075 -18.884 0.60 44.41 ? 79 THR a OG1 1 +ATOM 24633 C CG2 A THR S 1 79 ? 4.914 5.315 -18.589 0.40 40.95 ? 79 THR a CG2 1 +ATOM 24634 C CG2 B THR S 1 79 ? 4.948 5.308 -18.592 0.60 40.93 ? 79 THR a CG2 1 +ATOM 24635 N N A GLY S 1 80 ? 1.506 3.478 -15.953 0.40 43.64 ? 80 GLY a N 1 +ATOM 24636 N N B GLY S 1 80 ? 1.504 3.484 -15.997 0.60 43.56 ? 80 GLY a N 1 +ATOM 24637 C CA A GLY S 1 80 ? 0.121 3.145 -15.706 0.40 43.08 ? 80 GLY a CA 1 +ATOM 24638 C CA B GLY S 1 80 ? 0.120 3.155 -15.724 0.60 43.04 ? 80 GLY a CA 1 +ATOM 24639 C C A GLY S 1 80 ? -0.433 3.765 -14.434 0.40 50.67 ? 80 GLY a C 1 +ATOM 24640 C C B GLY S 1 80 ? -0.407 3.758 -14.429 0.60 50.89 ? 80 GLY a C 1 +ATOM 24641 O O A GLY S 1 80 ? 0.285 4.111 -13.497 0.40 45.90 ? 80 GLY a O 1 +ATOM 24642 O O B GLY S 1 80 ? 0.321 4.044 -13.477 0.60 45.95 ? 80 GLY a O 1 +ATOM 24643 N N A ALA S 1 81 ? -1.757 3.882 -14.394 0.40 44.81 ? 81 ALA a N 1 +ATOM 24644 N N B ALA S 1 81 ? -1.725 3.930 -14.397 0.60 44.82 ? 81 ALA a N 1 +ATOM 24645 C CA A ALA S 1 81 ? -2.439 4.460 -13.246 0.40 43.02 ? 81 ALA a CA 1 +ATOM 24646 C CA B ALA S 1 81 ? -2.411 4.495 -13.249 0.60 43.01 ? 81 ALA a CA 1 +ATOM 24647 C C A ALA S 1 81 ? -3.905 4.073 -13.318 0.40 49.65 ? 81 ALA a C 1 +ATOM 24648 C C B ALA S 1 81 ? -3.880 4.120 -13.335 0.60 49.78 ? 81 ALA a C 1 +ATOM 24649 O O A ALA S 1 81 ? -4.421 3.735 -14.389 0.40 50.18 ? 81 ALA a O 1 +ATOM 24650 O O B ALA S 1 81 ? -4.386 3.766 -14.404 0.60 50.40 ? 81 ALA a O 1 +ATOM 24651 C CB A ALA S 1 81 ? -2.300 5.994 -13.217 0.40 42.02 ? 81 ALA a CB 1 +ATOM 24652 C CB B ALA S 1 81 ? -2.255 6.026 -13.196 0.60 41.94 ? 81 ALA a CB 1 +ATOM 24653 N N A VAL S 1 82 ? -4.571 4.125 -12.169 0.40 43.25 ? 82 VAL a N 1 +ATOM 24654 N N B VAL S 1 82 ? -4.552 4.172 -12.189 0.60 43.26 ? 82 VAL a N 1 +ATOM 24655 C CA A VAL S 1 82 ? -6.017 4.301 -12.148 0.40 46.45 ? 82 VAL a CA 1 +ATOM 24656 C CA B VAL S 1 82 ? -6.000 4.341 -12.164 0.60 46.51 ? 82 VAL a CA 1 +ATOM 24657 C C A VAL S 1 82 ? -6.285 5.801 -12.105 0.40 48.49 ? 82 VAL a C 1 +ATOM 24658 C C B VAL S 1 82 ? -6.275 5.841 -12.120 0.60 48.67 ? 82 VAL a C 1 +ATOM 24659 O O A VAL S 1 82 ? -5.836 6.495 -11.182 0.40 45.56 ? 82 VAL a O 1 +ATOM 24660 O O B VAL S 1 82 ? -5.865 6.524 -11.175 0.60 45.61 ? 82 VAL a O 1 +ATOM 24661 C CB A VAL S 1 82 ? -6.672 3.573 -10.967 0.40 50.12 ? 82 VAL a CB 1 +ATOM 24662 C CB B VAL S 1 82 ? -6.644 3.621 -10.973 0.60 50.24 ? 82 VAL a CB 1 +ATOM 24663 C CG1 A VAL S 1 82 ? -8.166 3.864 -10.967 0.40 44.16 ? 82 VAL a CG1 1 +ATOM 24664 C CG1 B VAL S 1 82 ? -8.143 3.920 -10.957 0.60 44.11 ? 82 VAL a CG1 1 +ATOM 24665 C CG2 A VAL S 1 82 ? -6.422 2.061 -11.083 0.40 45.66 ? 82 VAL a CG2 1 +ATOM 24666 C CG2 B VAL S 1 82 ? -6.386 2.111 -11.068 0.60 45.73 ? 82 VAL a CG2 1 +ATOM 24667 N N A VAL S 1 83 ? -6.988 6.295 -13.119 0.40 43.74 ? 83 VAL a N 1 +ATOM 24668 N N B VAL S 1 83 ? -6.980 6.335 -13.134 0.60 43.64 ? 83 VAL a N 1 +ATOM 24669 C CA A VAL S 1 83 ? -7.082 7.731 -13.379 0.40 43.83 ? 83 VAL a CA 1 +ATOM 24670 C CA B VAL S 1 83 ? -7.099 7.769 -13.410 0.60 43.84 ? 83 VAL a CA 1 +ATOM 24671 C C A VAL S 1 83 ? -8.200 8.318 -12.513 0.40 44.91 ? 83 VAL a C 1 +ATOM 24672 C C B VAL S 1 83 ? -8.211 8.362 -12.546 0.60 44.99 ? 83 VAL a C 1 +ATOM 24673 O O A VAL S 1 83 ? -9.276 7.716 -12.434 0.40 46.29 ? 83 VAL a O 1 +ATOM 24674 O O B VAL S 1 83 ? -9.298 7.779 -12.463 0.60 46.36 ? 83 VAL a O 1 +ATOM 24675 C CB A VAL S 1 83 ? -7.351 7.979 -14.863 0.40 54.23 ? 83 VAL a CB 1 +ATOM 24676 C CB B VAL S 1 83 ? -7.374 7.989 -14.900 0.60 54.53 ? 83 VAL a CB 1 +ATOM 24677 C CG1 A VAL S 1 83 ? -7.571 9.475 -15.157 0.40 41.20 ? 83 VAL a CG1 1 +ATOM 24678 C CG1 B VAL S 1 83 ? -7.569 9.470 -15.230 0.60 41.08 ? 83 VAL a CG1 1 +ATOM 24679 C CG2 A VAL S 1 83 ? -6.220 7.387 -15.717 0.40 43.09 ? 83 VAL a CG2 1 +ATOM 24680 C CG2 B VAL S 1 83 ? -6.240 7.372 -15.732 0.60 43.02 ? 83 VAL a CG2 1 +ATOM 24681 N N A PRO S 1 84 ? -7.985 9.474 -11.878 0.40 44.92 ? 84 PRO a N 1 +ATOM 24682 N N B PRO S 1 84 ? -7.980 9.506 -11.900 0.60 44.92 ? 84 PRO a N 1 +ATOM 24683 C CA A PRO S 1 84 ? -9.048 10.110 -11.082 0.40 49.76 ? 84 PRO a CA 1 +ATOM 24684 C CA B PRO S 1 84 ? -9.041 10.154 -11.113 0.60 49.85 ? 84 PRO a CA 1 +ATOM 24685 C C A PRO S 1 84 ? -10.315 10.383 -11.884 0.40 49.75 ? 84 PRO a C 1 +ATOM 24686 C C B PRO S 1 84 ? -10.290 10.438 -11.941 0.60 49.81 ? 84 PRO a C 1 +ATOM 24687 O O A PRO S 1 84 ? -10.310 10.425 -13.114 0.40 48.72 ? 84 PRO a O 1 +ATOM 24688 O O B PRO S 1 84 ? -10.267 10.509 -13.174 0.60 48.93 ? 84 PRO a O 1 +ATOM 24689 C CB A PRO S 1 84 ? -8.398 11.416 -10.605 0.40 42.81 ? 84 PRO a CB 1 +ATOM 24690 C CB B PRO S 1 84 ? -8.386 11.450 -10.638 0.60 42.65 ? 84 PRO a CB 1 +ATOM 24691 C CG A PRO S 1 84 ? -6.938 11.068 -10.512 0.40 48.48 ? 84 PRO a CG 1 +ATOM 24692 C CG B PRO S 1 84 ? -6.945 11.070 -10.504 0.60 48.59 ? 84 PRO a CG 1 +ATOM 24693 C CD A PRO S 1 84 ? -6.675 10.107 -11.661 0.40 46.44 ? 84 PRO a CD 1 +ATOM 24694 C CD B PRO S 1 84 ? -6.670 10.141 -11.667 0.60 46.49 ? 84 PRO a CD 1 +ATOM 24695 N N A SER S 1 85 ? -11.421 10.569 -11.164 0.40 45.54 ? 85 SER a N 1 +ATOM 24696 N N B SER S 1 85 ? -11.407 10.594 -11.231 0.60 45.59 ? 85 SER a N 1 +ATOM 24697 C CA A SER S 1 85 ? -12.700 10.717 -11.838 0.40 53.95 ? 85 SER a CA 1 +ATOM 24698 C CA B SER S 1 85 ? -12.688 10.761 -11.896 0.60 54.15 ? 85 SER a CA 1 +ATOM 24699 C C A SER S 1 85 ? -12.868 12.136 -12.406 0.40 51.65 ? 85 SER a C 1 +ATOM 24700 C C B SER S 1 85 ? -12.839 12.179 -12.459 0.60 51.71 ? 85 SER a C 1 +ATOM 24701 O O A SER S 1 85 ? -12.174 13.088 -12.023 0.40 46.55 ? 85 SER a O 1 +ATOM 24702 O O B SER S 1 85 ? -12.146 13.121 -12.060 0.60 46.50 ? 85 SER a O 1 +ATOM 24703 C CB A SER S 1 85 ? -13.855 10.353 -10.897 0.40 48.62 ? 85 SER a CB 1 +ATOM 24704 C CB B SER S 1 85 ? -13.827 10.426 -10.935 0.60 48.67 ? 85 SER a CB 1 +ATOM 24705 O OG A SER S 1 85 ? -13.804 11.089 -9.692 0.40 53.53 ? 85 SER a OG 1 +ATOM 24706 O OG B SER S 1 85 ? -13.649 11.102 -9.716 0.60 53.66 ? 85 SER a OG 1 +ATOM 24707 N N A SER S 1 86 ? -13.823 12.260 -13.330 0.40 49.28 ? 86 SER a N 1 +ATOM 24708 N N B SER S 1 86 ? -13.788 12.313 -13.385 0.60 49.34 ? 86 SER a N 1 +ATOM 24709 C CA A SER S 1 86 ? -13.919 13.429 -14.198 0.40 48.12 ? 86 SER a CA 1 +ATOM 24710 C CA B SER S 1 86 ? -13.878 13.486 -14.244 0.60 48.02 ? 86 SER a CA 1 +ATOM 24711 C C A SER S 1 86 ? -14.176 14.715 -13.430 0.40 50.22 ? 86 SER a C 1 +ATOM 24712 C C B SER S 1 86 ? -14.144 14.766 -13.465 0.60 50.35 ? 86 SER a C 1 +ATOM 24713 O O A SER S 1 86 ? -14.962 14.743 -12.482 0.40 49.93 ? 86 SER a O 1 +ATOM 24714 O O B SER S 1 86 ? -14.915 14.780 -12.501 0.60 49.99 ? 86 SER a O 1 +ATOM 24715 C CB A SER S 1 86 ? -15.038 13.231 -15.227 0.40 49.16 ? 86 SER a CB 1 +ATOM 24716 C CB B SER S 1 86 ? -14.988 13.292 -15.277 0.60 49.30 ? 86 SER a CB 1 +ATOM 24717 O OG A SER S 1 86 ? -15.299 14.469 -15.869 0.40 50.16 ? 86 SER a OG 1 +ATOM 24718 O OG B SER S 1 86 ? -15.193 14.498 -15.995 0.60 50.43 ? 86 SER a OG 1 +ATOM 24719 N N A ASN S 1 87 ? -13.539 15.800 -13.895 0.40 47.11 ? 87 ASN a N 1 +ATOM 24720 N N B ASN S 1 87 ? -13.516 15.858 -13.920 0.60 47.07 ? 87 ASN a N 1 +ATOM 24721 C CA A ASN S 1 87 ? -13.795 17.125 -13.339 0.40 47.17 ? 87 ASN a CA 1 +ATOM 24722 C CA B ASN S 1 87 ? -13.759 17.172 -13.341 0.60 47.16 ? 87 ASN a CA 1 +ATOM 24723 C C A ASN S 1 87 ? -15.259 17.532 -13.486 0.40 52.04 ? 87 ASN a C 1 +ATOM 24724 C C B ASN S 1 87 ? -15.212 17.603 -13.483 0.60 52.17 ? 87 ASN a C 1 +ATOM 24725 O O A ASN S 1 87 ? -15.757 18.344 -12.696 0.40 51.67 ? 87 ASN a O 1 +ATOM 24726 O O B ASN S 1 87 ? -15.664 18.467 -12.724 0.60 51.58 ? 87 ASN a O 1 +ATOM 24727 C CB A ASN S 1 87 ? -12.898 18.174 -14.008 0.40 42.09 ? 87 ASN a CB 1 +ATOM 24728 C CB B ASN S 1 87 ? -12.850 18.215 -13.993 0.60 41.95 ? 87 ASN a CB 1 +ATOM 24729 C CG A ASN S 1 87 ? -12.930 19.527 -13.279 0.40 52.60 ? 87 ASN a CG 1 +ATOM 24730 C CG B ASN S 1 87 ? -12.895 19.569 -13.269 0.60 52.74 ? 87 ASN a CG 1 +ATOM 24731 O OD1 A ASN S 1 87 ? -12.886 19.581 -12.056 0.40 51.99 ? 87 ASN a OD1 1 +ATOM 24732 O OD1 B ASN S 1 87 ? -12.758 19.636 -12.049 0.60 52.16 ? 87 ASN a OD1 1 +ATOM 24733 N ND2 A ASN S 1 87 ? -13.017 20.613 -14.032 0.40 47.12 ? 87 ASN a ND2 1 +ATOM 24734 N ND2 B ASN S 1 87 ? -13.103 20.644 -14.021 0.60 47.08 ? 87 ASN a ND2 1 +ATOM 24735 N N A ALA S 1 88 ? -15.964 16.994 -14.487 0.40 47.84 ? 88 ALA a N 1 +ATOM 24736 N N B ALA S 1 88 ? -15.945 17.036 -14.445 0.60 47.87 ? 88 ALA a N 1 +ATOM 24737 C CA A ALA S 1 88 ? -17.389 17.291 -14.604 0.40 53.93 ? 88 ALA a CA 1 +ATOM 24738 C CA B ALA S 1 88 ? -17.368 17.326 -14.578 0.60 54.04 ? 88 ALA a CA 1 +ATOM 24739 C C A ALA S 1 88 ? -18.205 16.713 -13.447 0.40 57.14 ? 88 ALA a C 1 +ATOM 24740 C C B ALA S 1 88 ? -18.184 16.753 -13.426 0.60 57.35 ? 88 ALA a C 1 +ATOM 24741 O O A ALA S 1 88 ? -19.306 17.203 -13.183 0.40 53.74 ? 88 ALA a O 1 +ATOM 24742 O O B ALA S 1 88 ? -19.300 17.224 -13.177 0.60 53.84 ? 88 ALA a O 1 +ATOM 24743 C CB A ALA S 1 88 ? -17.936 16.778 -15.942 0.40 44.08 ? 88 ALA a CB 1 +ATOM 24744 C CB B ALA S 1 88 ? -17.901 16.780 -15.908 0.60 43.97 ? 88 ALA a CB 1 +ATOM 24745 N N A ILE S 1 89 ? -17.704 15.680 -12.763 0.40 51.24 ? 89 ILE a N 1 +ATOM 24746 N N B ILE S 1 89 ? -17.665 15.735 -12.739 0.60 51.27 ? 89 ILE a N 1 +ATOM 24747 C CA A ILE S 1 89 ? -18.394 15.142 -11.587 0.40 46.87 ? 89 ILE a CA 1 +ATOM 24748 C CA B ILE S 1 89 ? -18.350 15.180 -11.577 0.60 46.73 ? 89 ILE a CA 1 +ATOM 24749 C C A ILE S 1 89 ? -18.072 15.957 -10.340 0.40 49.86 ? 89 ILE a C 1 +ATOM 24750 C C B ILE S 1 89 ? -18.065 16.018 -10.335 0.60 49.96 ? 89 ILE a C 1 +ATOM 24751 O O A ILE S 1 89 ? -18.903 16.052 -9.420 0.40 53.05 ? 89 ILE a O 1 +ATOM 24752 O O B ILE S 1 89 ? -18.914 16.114 -9.439 0.60 53.31 ? 89 ILE a O 1 +ATOM 24753 C CB A ILE S 1 89 ? -18.039 13.650 -11.421 0.40 51.75 ? 89 ILE a CB 1 +ATOM 24754 C CB B ILE S 1 89 ? -17.941 13.704 -11.401 0.60 51.82 ? 89 ILE a CB 1 +ATOM 24755 C CG1 A ILE S 1 89 ? -18.774 12.822 -12.478 0.40 53.16 ? 89 ILE a CG1 1 +ATOM 24756 C CG1 B ILE S 1 89 ? -18.567 12.851 -12.514 0.60 53.46 ? 89 ILE a CG1 1 +ATOM 24757 C CG2 A ILE S 1 89 ? -18.342 13.122 -9.987 0.40 46.74 ? 89 ILE a CG2 1 +ATOM 24758 C CG2 B ILE S 1 89 ? -18.309 13.170 -10.010 0.60 46.77 ? 89 ILE a CG2 1 +ATOM 24759 C CD1 A ILE S 1 89 ? -18.146 11.416 -12.740 0.40 48.96 ? 89 ILE a CD1 1 +ATOM 24760 C CD1 B ILE S 1 89 ? -17.975 11.421 -12.645 0.60 48.94 ? 89 ILE a CD1 1 +ATOM 24761 N N A GLY S 1 90 ? -16.903 16.593 -10.300 0.40 48.48 ? 90 GLY a N 1 +ATOM 24762 N N B GLY S 1 90 ? -16.906 16.676 -10.286 0.60 48.29 ? 90 GLY a N 1 +ATOM 24763 C CA A GLY S 1 90 ? -16.538 17.384 -9.136 0.40 48.96 ? 90 GLY a CA 1 +ATOM 24764 C CA B GLY S 1 90 ? -16.540 17.459 -9.116 0.60 48.81 ? 90 GLY a CA 1 +ATOM 24765 C C A GLY S 1 90 ? -16.469 16.535 -7.865 0.40 53.46 ? 90 GLY a C 1 +ATOM 24766 C C B GLY S 1 90 ? -16.456 16.589 -7.866 0.60 53.67 ? 90 GLY a C 1 +ATOM 24767 O O A GLY S 1 90 ? -15.763 15.520 -7.799 0.40 50.88 ? 90 GLY a O 1 +ATOM 24768 O O B GLY S 1 90 ? -15.773 15.559 -7.834 0.60 50.98 ? 90 GLY a O 1 +ATOM 24769 N N A LEU S 1 91 ? -17.201 16.957 -6.835 0.40 52.56 ? 91 LEU a N 1 +ATOM 24770 N N B LEU S 1 91 ? -17.148 17.012 -6.811 0.60 52.74 ? 91 LEU a N 1 +ATOM 24771 C CA A LEU S 1 91 ? -17.289 16.220 -5.579 0.40 51.47 ? 91 LEU a CA 1 +ATOM 24772 C CA B LEU S 1 91 ? -17.212 16.252 -5.569 0.60 51.48 ? 91 LEU a CA 1 +ATOM 24773 C C A LEU S 1 91 ? -18.529 15.347 -5.501 0.40 55.32 ? 91 LEU a C 1 +ATOM 24774 C C B LEU S 1 91 ? -18.455 15.386 -5.485 0.60 55.40 ? 91 LEU a C 1 +ATOM 24775 O O A LEU S 1 91 ? -18.811 14.789 -4.432 0.40 51.48 ? 91 LEU a O 1 +ATOM 24776 O O B LEU S 1 91 ? -18.728 14.823 -4.421 0.60 51.43 ? 91 LEU a O 1 +ATOM 24777 C CB A LEU S 1 91 ? -17.270 17.182 -4.384 0.40 47.34 ? 91 LEU a CB 1 +ATOM 24778 C CB B LEU S 1 91 ? -17.165 17.186 -4.358 0.60 47.29 ? 91 LEU a CB 1 +ATOM 24779 C CG A LEU S 1 91 ? -15.963 17.948 -4.149 0.40 51.76 ? 91 LEU a CG 1 +ATOM 24780 C CG B LEU S 1 91 ? -15.896 18.009 -4.121 0.60 51.85 ? 91 LEU a CG 1 +ATOM 24781 C CD1 A LEU S 1 91 ? -16.067 18.883 -2.943 0.40 50.73 ? 91 LEU a CD1 1 +ATOM 24782 C CD1 B LEU S 1 91 ? -16.081 18.915 -2.910 0.60 50.73 ? 91 LEU a CD1 1 +ATOM 24783 C CD2 A LEU S 1 91 ? -14.778 16.997 -3.997 0.40 48.31 ? 91 LEU a CD2 1 +ATOM 24784 C CD2 B LEU S 1 91 ? -14.664 17.125 -3.958 0.60 47.84 ? 91 LEU a CD2 1 +ATOM 24785 N N A HIS S 1 92 ? -19.286 15.226 -6.591 0.40 49.66 ? 92 HIS a N 1 +ATOM 24786 N N B HIS S 1 92 ? -19.217 15.270 -6.570 0.60 49.45 ? 92 HIS a N 1 +ATOM 24787 C CA A HIS S 1 92 ? -20.473 14.383 -6.548 0.40 51.47 ? 92 HIS a CA 1 +ATOM 24788 C CA B HIS S 1 92 ? -20.417 14.442 -6.526 0.60 51.58 ? 92 HIS a CA 1 +ATOM 24789 C C A HIS S 1 92 ? -20.095 12.922 -6.377 0.40 53.54 ? 92 HIS a C 1 +ATOM 24790 C C B HIS S 1 92 ? -20.067 12.970 -6.343 0.60 53.54 ? 92 HIS a C 1 +ATOM 24791 O O A HIS S 1 92 ? -19.051 12.456 -6.844 0.40 51.37 ? 92 HIS a O 1 +ATOM 24792 O O B HIS S 1 92 ? -19.036 12.481 -6.816 0.60 51.46 ? 92 HIS a O 1 +ATOM 24793 C CB A HIS S 1 92 ? -21.324 14.550 -7.807 0.40 49.29 ? 92 HIS a CB 1 +ATOM 24794 C CB B HIS S 1 92 ? -21.245 14.616 -7.795 0.60 49.28 ? 92 HIS a CB 1 +ATOM 24795 C CG A HIS S 1 92 ? -22.055 15.853 -7.867 0.40 54.00 ? 92 HIS a CG 1 +ATOM 24796 C CG B HIS S 1 92 ? -21.993 15.907 -7.852 0.60 54.00 ? 92 HIS a CG 1 +ATOM 24797 N ND1 A HIS S 1 92 ? -23.419 15.933 -8.041 0.40 50.47 ? 92 HIS a ND1 1 +ATOM 24798 N ND1 B HIS S 1 92 ? -23.347 15.971 -8.099 0.60 50.39 ? 92 HIS a ND1 1 +ATOM 24799 C CD2 A HIS S 1 92 ? -21.612 17.128 -7.758 0.40 51.39 ? 92 HIS a CD2 1 +ATOM 24800 C CD2 B HIS S 1 92 ? -21.579 17.184 -7.684 0.60 51.45 ? 92 HIS a CD2 1 +ATOM 24801 C CE1 A HIS S 1 92 ? -23.783 17.204 -8.044 0.40 50.13 ? 92 HIS a CE1 1 +ATOM 24802 C CE1 B HIS S 1 92 ? -23.734 17.233 -8.090 0.60 49.99 ? 92 HIS a CE1 1 +ATOM 24803 N NE2 A HIS S 1 92 ? -22.705 17.949 -7.873 0.40 53.24 ? 92 HIS a NE2 1 +ATOM 24804 N NE2 B HIS S 1 92 ? -22.681 17.989 -7.834 0.60 53.23 ? 92 HIS a NE2 1 +ATOM 24805 N N A PHE S 1 93 ? -20.970 12.206 -5.681 0.40 57.72 ? 93 PHE a N 1 +ATOM 24806 N N B PHE S 1 93 ? -20.954 12.267 -5.643 0.60 57.90 ? 93 PHE a N 1 +ATOM 24807 C CA A PHE S 1 93 ? -20.809 10.788 -5.417 0.40 50.44 ? 93 PHE a CA 1 +ATOM 24808 C CA B PHE S 1 93 ? -20.844 10.831 -5.423 0.60 50.34 ? 93 PHE a CA 1 +ATOM 24809 C C A PHE S 1 93 ? -21.237 10.007 -6.649 0.40 55.42 ? 93 PHE a C 1 +ATOM 24810 C C B PHE S 1 93 ? -21.255 10.087 -6.688 0.60 55.61 ? 93 PHE a C 1 +ATOM 24811 O O A PHE S 1 93 ? -22.357 10.182 -7.137 0.40 52.79 ? 93 PHE a O 1 +ATOM 24812 O O B PHE S 1 93 ? -22.335 10.333 -7.233 0.60 53.01 ? 93 PHE a O 1 +ATOM 24813 C CB A PHE S 1 93 ? -21.662 10.425 -4.199 0.40 55.26 ? 93 PHE a CB 1 +ATOM 24814 C CB B PHE S 1 93 ? -21.743 10.443 -4.249 0.60 55.32 ? 93 PHE a CB 1 +ATOM 24815 C CG A PHE S 1 93 ? -21.500 9.027 -3.717 0.40 53.10 ? 93 PHE a CG 1 +ATOM 24816 C CG B PHE S 1 93 ? -21.538 9.052 -3.742 0.60 53.04 ? 93 PHE a CG 1 +ATOM 24817 C CD1 A PHE S 1 93 ? -20.286 8.591 -3.214 0.40 57.31 ? 93 PHE a CD1 1 +ATOM 24818 C CD1 B PHE S 1 93 ? -20.297 8.648 -3.279 0.60 57.38 ? 93 PHE a CD1 1 +ATOM 24819 C CD2 A PHE S 1 93 ? -22.578 8.164 -3.716 0.40 52.55 ? 93 PHE a CD2 1 +ATOM 24820 C CD2 B PHE S 1 93 ? -22.597 8.163 -3.691 0.60 52.42 ? 93 PHE a CD2 1 +ATOM 24821 C CE1 A PHE S 1 93 ? -20.142 7.296 -2.754 0.40 60.04 ? 93 PHE a CE1 1 +ATOM 24822 C CE1 B PHE S 1 93 ? -20.107 7.378 -2.800 0.60 60.12 ? 93 PHE a CE1 1 +ATOM 24823 C CE2 A PHE S 1 93 ? -22.447 6.875 -3.255 0.40 60.81 ? 93 PHE a CE2 1 +ATOM 24824 C CE2 B PHE S 1 93 ? -22.416 6.887 -3.212 0.60 60.88 ? 93 PHE a CE2 1 +ATOM 24825 C CZ A PHE S 1 93 ? -21.226 6.441 -2.773 0.40 56.83 ? 93 PHE a CZ 1 +ATOM 24826 C CZ B PHE S 1 93 ? -21.168 6.494 -2.763 0.60 56.81 ? 93 PHE a CZ 1 +ATOM 24827 N N A TYR S 1 94 ? -20.356 9.144 -7.153 0.40 49.11 ? 94 TYR a N 1 +ATOM 24828 N N B TYR S 1 94 ? -20.407 9.163 -7.146 0.60 49.07 ? 94 TYR a N 1 +ATOM 24829 C CA A TYR S 1 94 ? -20.554 8.480 -8.443 0.40 52.85 ? 94 TYR a CA 1 +ATOM 24830 C CA B TYR S 1 94 ? -20.583 8.505 -8.443 0.60 52.95 ? 94 TYR a CA 1 +ATOM 24831 C C A TYR S 1 94 ? -20.405 6.970 -8.306 0.40 50.26 ? 94 TYR a C 1 +ATOM 24832 C C B TYR S 1 94 ? -20.410 6.994 -8.310 0.60 50.23 ? 94 TYR a C 1 +ATOM 24833 O O A TYR S 1 94 ? -19.482 6.379 -8.875 0.40 50.93 ? 94 TYR a O 1 +ATOM 24834 O O B TYR S 1 94 ? -19.487 6.414 -8.890 0.60 50.99 ? 94 TYR a O 1 +ATOM 24835 C CB A TYR S 1 94 ? -19.574 9.040 -9.481 0.40 51.82 ? 94 TYR a CB 1 +ATOM 24836 C CB B TYR S 1 94 ? -19.607 9.098 -9.470 0.60 51.83 ? 94 TYR a CB 1 +ATOM 24837 C CG A TYR S 1 94 ? -19.861 8.660 -10.931 0.40 47.49 ? 94 TYR a CG 1 +ATOM 24838 C CG B TYR S 1 94 ? -19.843 8.699 -10.931 0.60 47.41 ? 94 TYR a CG 1 +ATOM 24839 C CD1 A TYR S 1 94 ? -21.134 8.785 -11.464 0.40 46.75 ? 94 TYR a CD1 1 +ATOM 24840 C CD1 B TYR S 1 94 ? -21.083 8.867 -11.530 0.60 46.47 ? 94 TYR a CD1 1 +ATOM 24841 C CD2 A TYR S 1 94 ? -18.849 8.185 -11.760 0.40 48.39 ? 94 TYR a CD2 1 +ATOM 24842 C CD2 B TYR S 1 94 ? -18.814 8.180 -11.704 0.60 48.36 ? 94 TYR a CD2 1 +ATOM 24843 C CE1 A TYR S 1 94 ? -21.401 8.449 -12.784 0.40 53.54 ? 94 TYR a CE1 1 +ATOM 24844 C CE1 B TYR S 1 94 ? -21.302 8.515 -12.849 0.60 53.84 ? 94 TYR a CE1 1 +ATOM 24845 C CE2 A TYR S 1 94 ? -19.098 7.846 -13.093 0.40 51.78 ? 94 TYR a CE2 1 +ATOM 24846 C CE2 B TYR S 1 94 ? -19.019 7.824 -13.044 0.60 51.84 ? 94 TYR a CE2 1 +ATOM 24847 C CZ A TYR S 1 94 ? -20.380 7.988 -13.598 0.40 52.16 ? 94 TYR a CZ 1 +ATOM 24848 C CZ B TYR S 1 94 ? -20.270 7.997 -13.607 0.60 52.17 ? 94 TYR a CZ 1 +ATOM 24849 O OH A TYR S 1 94 ? -20.657 7.653 -14.894 0.40 50.71 ? 94 TYR a OH 1 +ATOM 24850 O OH B TYR S 1 94 ? -20.501 7.657 -14.918 0.60 50.72 ? 94 TYR a OH 1 +ATOM 24851 N N . PRO S 1 95 ? -21.308 6.317 -7.581 1.00 56.48 ? 95 PRO a N 1 +ATOM 24852 C CA . PRO S 1 95 ? -21.279 4.851 -7.534 1.00 48.64 ? 95 PRO a CA 1 +ATOM 24853 C C . PRO S 1 95 ? -21.734 4.284 -8.871 1.00 53.39 ? 95 PRO a C 1 +ATOM 24854 O O . PRO S 1 95 ? -22.257 4.994 -9.731 1.00 47.77 ? 95 PRO a O 1 +ATOM 24855 C CB . PRO S 1 95 ? -22.272 4.509 -6.422 1.00 53.38 ? 95 PRO a CB 1 +ATOM 24856 C CG . PRO S 1 95 ? -23.300 5.604 -6.569 1.00 49.21 ? 95 PRO a CG 1 +ATOM 24857 C CD . PRO S 1 95 ? -22.510 6.846 -6.912 1.00 49.55 ? 95 PRO a CD 1 +ATOM 24858 N N . ILE S 1 96 ? -21.553 2.972 -9.025 1.00 50.01 ? 96 ILE a N 1 +ATOM 24859 C CA . ILE S 1 96 ? -21.897 2.315 -10.282 1.00 55.65 ? 96 ILE a CA 1 +ATOM 24860 C C . ILE S 1 96 ? -23.364 2.550 -10.640 1.00 61.47 ? 96 ILE a C 1 +ATOM 24861 O O . ILE S 1 96 ? -23.694 2.821 -11.800 1.00 57.89 ? 96 ILE a O 1 +ATOM 24862 C CB . ILE S 1 96 ? -21.568 0.810 -10.207 1.00 57.17 ? 96 ILE a CB 1 +ATOM 24863 C CG1 . ILE S 1 96 ? -20.062 0.596 -10.014 1.00 48.56 ? 96 ILE a CG1 1 +ATOM 24864 C CG2 . ILE S 1 96 ? -22.082 0.081 -11.467 1.00 53.26 ? 96 ILE a CG2 1 +ATOM 24865 C CD1 . ILE S 1 96 ? -19.639 -0.857 -10.002 1.00 57.74 ? 96 ILE a CD1 1 +ATOM 24866 N N . TRP S 1 97 ? -24.263 2.453 -9.658 1.00 53.52 ? 97 TRP a N 1 +ATOM 24867 C CA . TRP S 1 97 ? -25.697 2.524 -9.925 1.00 51.46 ? 97 TRP a CA 1 +ATOM 24868 C C . TRP S 1 97 ? -26.169 3.929 -10.298 1.00 57.62 ? 97 TRP a C 1 +ATOM 24869 O O . TRP S 1 97 ? -27.334 4.075 -10.681 1.00 55.59 ? 97 TRP a O 1 +ATOM 24870 C CB . TRP S 1 97 ? -26.506 1.998 -8.715 1.00 52.65 ? 97 TRP a CB 1 +ATOM 24871 C CG . TRP S 1 97 ? -26.195 2.663 -7.359 1.00 55.75 ? 97 TRP a CG 1 +ATOM 24872 C CD1 . TRP S 1 97 ? -26.747 3.802 -6.854 1.00 56.20 ? 97 TRP a CD1 1 +ATOM 24873 C CD2 . TRP S 1 97 ? -25.286 2.183 -6.351 1.00 56.25 ? 97 TRP a CD2 1 +ATOM 24874 N NE1 . TRP S 1 97 ? -26.228 4.077 -5.613 1.00 57.24 ? 97 TRP a NE1 1 +ATOM 24875 C CE2 . TRP S 1 97 ? -25.331 3.097 -5.279 1.00 56.53 ? 97 TRP a CE2 1 +ATOM 24876 C CE3 . TRP S 1 97 ? -24.439 1.067 -6.257 1.00 52.07 ? 97 TRP a CE3 1 +ATOM 24877 C CZ2 . TRP S 1 97 ? -24.556 2.940 -4.127 1.00 55.71 ? 97 TRP a CZ2 1 +ATOM 24878 C CZ3 . TRP S 1 97 ? -23.668 0.912 -5.115 1.00 53.15 ? 97 TRP a CZ3 1 +ATOM 24879 C CH2 . TRP S 1 97 ? -23.731 1.847 -4.064 1.00 49.02 ? 97 TRP a CH2 1 +ATOM 24880 N N . GLU S 1 98 ? -25.316 4.957 -10.184 1.00 51.14 ? 98 GLU a N 1 +ATOM 24881 C CA . GLU S 1 98 ? -25.630 6.290 -10.692 1.00 55.35 ? 98 GLU a CA 1 +ATOM 24882 C C . GLU S 1 98 ? -25.264 6.460 -12.162 1.00 65.18 ? 98 GLU a C 1 +ATOM 24883 O O . GLU S 1 98 ? -25.509 7.530 -12.722 1.00 63.96 ? 98 GLU a O 1 +ATOM 24884 C CB . GLU S 1 98 ? -24.912 7.382 -9.883 1.00 58.87 ? 98 GLU a CB 1 +ATOM 24885 C CG . GLU S 1 98 ? -25.521 7.671 -8.511 1.00 69.96 ? 98 GLU a CG 1 +ATOM 24886 C CD . GLU S 1 98 ? -26.954 8.172 -8.590 1.00 84.06 ? 98 GLU a CD 1 +ATOM 24887 O OE1 . GLU S 1 98 ? -27.199 9.180 -9.300 1.00 91.71 ? 98 GLU a OE1 1 +ATOM 24888 O OE2 . GLU S 1 98 ? -27.834 7.547 -7.950 1.00 82.54 ? 98 GLU a OE2 1 +ATOM 24889 N N . ALA S 1 99 ? -24.648 5.457 -12.780 1.00 53.66 ? 99 ALA a N 1 +ATOM 24890 C CA . ALA S 1 99 ? -24.303 5.482 -14.188 1.00 55.45 ? 99 ALA a CA 1 +ATOM 24891 C C . ALA S 1 99 ? -25.379 4.762 -14.993 1.00 62.72 ? 99 ALA a C 1 +ATOM 24892 O O . ALA S 1 99 ? -26.024 3.828 -14.504 1.00 57.49 ? 99 ALA a O 1 +ATOM 24893 C CB . ALA S 1 99 ? -22.934 4.828 -14.422 1.00 41.38 ? 99 ALA a CB 1 +ATOM 24894 N N . ALA S 1 100 ? -25.583 5.225 -16.231 1.00 54.75 ? 100 ALA a N 1 +ATOM 24895 C CA . ALA S 1 100 ? -26.477 4.541 -17.156 1.00 56.38 ? 100 ALA a CA 1 +ATOM 24896 C C . ALA S 1 100 ? -25.922 3.196 -17.594 1.00 54.05 ? 100 ALA a C 1 +ATOM 24897 O O . ALA S 1 100 ? -26.691 2.318 -17.993 1.00 58.70 ? 100 ALA a O 1 +ATOM 24898 C CB . ALA S 1 100 ? -26.733 5.423 -18.396 1.00 49.91 ? 100 ALA a CB 1 +ATOM 24899 N N . SER S 1 101 ? -24.607 3.019 -17.525 1.00 53.11 ? 101 SER a N 1 +ATOM 24900 C CA . SER S 1 101 ? -23.971 1.782 -17.949 1.00 46.48 ? 101 SER a CA 1 +ATOM 24901 C C . SER S 1 101 ? -22.575 1.728 -17.350 1.00 47.44 ? 101 SER a C 1 +ATOM 24902 O O . SER S 1 101 ? -22.009 2.754 -16.957 1.00 51.67 ? 101 SER a O 1 +ATOM 24903 C CB . SER S 1 101 ? -23.899 1.679 -19.486 1.00 48.40 ? 101 SER a CB 1 +ATOM 24904 O OG . SER S 1 101 ? -23.098 2.716 -20.054 1.00 54.68 ? 101 SER a OG 1 +ATOM 24905 N N . LEU S 1 102 ? -22.013 0.518 -17.314 1.00 45.83 ? 102 LEU a N 1 +ATOM 24906 C CA . LEU S 1 102 ? -20.602 0.379 -16.969 1.00 50.72 ? 102 LEU a CA 1 +ATOM 24907 C C . LEU S 1 102 ? -19.711 1.201 -17.900 1.00 51.77 ? 102 LEU a C 1 +ATOM 24908 O O . LEU S 1 102 ? -18.707 1.777 -17.459 1.00 52.64 ? 102 LEU a O 1 +ATOM 24909 C CB . LEU S 1 102 ? -20.200 -1.096 -16.991 1.00 48.44 ? 102 LEU a CB 1 +ATOM 24910 C CG . LEU S 1 102 ? -20.709 -1.870 -15.772 1.00 53.13 ? 102 LEU a CG 1 +ATOM 24911 C CD1 . LEU S 1 102 ? -20.441 -3.358 -15.917 1.00 59.55 ? 102 LEU a CD1 1 +ATOM 24912 C CD2 . LEU S 1 102 ? -20.081 -1.326 -14.510 1.00 50.62 ? 102 LEU a CD2 1 +ATOM 24913 N N . ASP S 1 103 ? -20.060 1.275 -19.190 1.00 48.31 ? 103 ASP a N 1 +ATOM 24914 C CA . ASP S 1 103 ? -19.221 2.008 -20.131 1.00 49.88 ? 103 ASP a CA 1 +ATOM 24915 C C . ASP S 1 103 ? -19.184 3.491 -19.803 1.00 55.65 ? 103 ASP a C 1 +ATOM 24916 O O . ASP S 1 103 ? -18.115 4.122 -19.867 1.00 48.99 ? 103 ASP a O 1 +ATOM 24917 C CB . ASP S 1 103 ? -19.709 1.792 -21.555 1.00 55.52 ? 103 ASP a CB 1 +ATOM 24918 C CG . ASP S 1 103 ? -19.467 0.370 -22.044 1.00 61.30 ? 103 ASP a CG 1 +ATOM 24919 O OD1 . ASP S 1 103 ? -18.343 -0.156 -21.891 1.00 63.64 ? 103 ASP a OD1 1 +ATOM 24920 O OD2 . ASP S 1 103 ? -20.411 -0.231 -22.574 1.00 67.59 ? 103 ASP a OD2 1 +ATOM 24921 N N . GLU S 1 104 ? -20.336 4.071 -19.458 1.00 46.47 ? 104 GLU a N 1 +ATOM 24922 C CA . GLU S 1 104 ? -20.323 5.449 -18.977 1.00 49.14 ? 104 GLU a CA 1 +ATOM 24923 C C . GLU S 1 104 ? -19.438 5.558 -17.744 1.00 48.78 ? 104 GLU a C 1 +ATOM 24924 O O . GLU S 1 104 ? -18.517 6.387 -17.697 1.00 47.13 ? 104 GLU a O 1 +ATOM 24925 C CB . GLU S 1 104 ? -21.743 5.930 -18.672 1.00 44.28 ? 104 GLU a CB 1 +ATOM 24926 C CG . GLU S 1 104 ? -21.818 7.322 -18.065 1.00 44.61 ? 104 GLU a CG 1 +ATOM 24927 C CD . GLU S 1 104 ? -23.071 7.523 -17.223 1.00 56.64 ? 104 GLU a CD 1 +ATOM 24928 O OE1 . GLU S 1 104 ? -24.188 7.320 -17.746 1.00 51.48 ? 104 GLU a OE1 1 +ATOM 24929 O OE2 . GLU S 1 104 ? -22.937 7.859 -16.022 1.00 54.58 ? 104 GLU a OE2 1 +ATOM 24930 N N . TRP S 1 105 ? -19.658 4.661 -16.770 1.00 49.49 ? 105 TRP a N 1 +ATOM 24931 C CA . TRP S 1 105 ? -18.936 4.696 -15.496 1.00 51.75 ? 105 TRP a CA 1 +ATOM 24932 C C . TRP S 1 105 ? -17.426 4.652 -15.702 1.00 47.84 ? 105 TRP a C 1 +ATOM 24933 O O . TRP S 1 105 ? -16.681 5.393 -15.053 1.00 49.99 ? 105 TRP a O 1 +ATOM 24934 C CB . TRP S 1 105 ? -19.389 3.519 -14.627 1.00 46.00 ? 105 TRP a CB 1 +ATOM 24935 C CG . TRP S 1 105 ? -18.947 3.546 -13.186 1.00 56.78 ? 105 TRP a CG 1 +ATOM 24936 C CD1 . TRP S 1 105 ? -19.363 4.415 -12.212 1.00 56.30 ? 105 TRP a CD1 1 +ATOM 24937 C CD2 . TRP S 1 105 ? -18.039 2.632 -12.543 1.00 51.10 ? 105 TRP a CD2 1 +ATOM 24938 N NE1 . TRP S 1 105 ? -18.754 4.111 -11.018 1.00 60.39 ? 105 TRP a NE1 1 +ATOM 24939 C CE2 . TRP S 1 105 ? -17.948 3.015 -11.191 1.00 53.41 ? 105 TRP a CE2 1 +ATOM 24940 C CE3 . TRP S 1 105 ? -17.297 1.530 -12.982 1.00 59.39 ? 105 TRP a CE3 1 +ATOM 24941 C CZ2 . TRP S 1 105 ? -17.142 2.335 -10.274 1.00 54.83 ? 105 TRP a CZ2 1 +ATOM 24942 C CZ3 . TRP S 1 105 ? -16.495 0.863 -12.071 1.00 50.86 ? 105 TRP a CZ3 1 +ATOM 24943 C CH2 . TRP S 1 105 ? -16.423 1.269 -10.736 1.00 47.35 ? 105 TRP a CH2 1 +ATOM 24944 N N . LEU S 1 106 ? -16.960 3.783 -16.607 1.00 49.49 ? 106 LEU a N 1 +ATOM 24945 C CA . LEU S 1 106 ? -15.534 3.692 -16.918 1.00 48.81 ? 106 LEU a CA 1 +ATOM 24946 C C . LEU S 1 106 ? -15.005 4.971 -17.564 1.00 50.43 ? 106 LEU a C 1 +ATOM 24947 O O . LEU S 1 106 ? -13.933 5.462 -17.182 1.00 48.19 ? 106 LEU a O 1 +ATOM 24948 C CB . LEU S 1 106 ? -15.289 2.490 -17.827 1.00 47.50 ? 106 LEU a CB 1 +ATOM 24949 C CG . LEU S 1 106 ? -15.571 1.147 -17.153 1.00 48.76 ? 106 LEU a CG 1 +ATOM 24950 C CD1 . LEU S 1 106 ? -15.509 -0.010 -18.173 1.00 49.63 ? 106 LEU a CD1 1 +ATOM 24951 C CD2 . LEU S 1 106 ? -14.634 0.918 -15.941 1.00 40.36 ? 106 LEU a CD2 1 +ATOM 24952 N N A TYR S 1 107 ? -15.740 5.517 -18.551 0.40 47.84 ? 107 TYR a N 1 +ATOM 24953 N N B TYR S 1 107 ? -15.743 5.524 -18.535 0.60 47.95 ? 107 TYR a N 1 +ATOM 24954 C CA A TYR S 1 107 ? -15.292 6.717 -19.246 0.40 44.80 ? 107 TYR a CA 1 +ATOM 24955 C CA B TYR S 1 107 ? -15.292 6.730 -19.223 0.60 44.73 ? 107 TYR a CA 1 +ATOM 24956 C C A TYR S 1 107 ? -15.078 7.871 -18.270 0.40 47.57 ? 107 TYR a C 1 +ATOM 24957 C C B TYR S 1 107 ? -15.079 7.883 -18.246 0.60 47.66 ? 107 TYR a C 1 +ATOM 24958 O O A TYR S 1 107 ? -14.120 8.648 -18.399 0.40 48.89 ? 107 TYR a O 1 +ATOM 24959 O O B TYR S 1 107 ? -14.134 8.673 -18.395 0.60 49.04 ? 107 TYR a O 1 +ATOM 24960 C CB A TYR S 1 107 ? -16.319 7.095 -20.327 0.40 48.47 ? 107 TYR a CB 1 +ATOM 24961 C CB B TYR S 1 107 ? -16.310 7.119 -20.305 0.60 48.52 ? 107 TYR a CB 1 +ATOM 24962 C CG A TYR S 1 107 ? -15.960 8.326 -21.129 0.40 47.39 ? 107 TYR a CG 1 +ATOM 24963 C CG B TYR S 1 107 ? -15.941 8.353 -21.093 0.60 47.39 ? 107 TYR a CG 1 +ATOM 24964 C CD1 A TYR S 1 107 ? -16.346 9.594 -20.696 0.40 48.23 ? 107 TYR a CD1 1 +ATOM 24965 C CD1 B TYR S 1 107 ? -16.352 9.623 -20.674 0.60 48.22 ? 107 TYR a CD1 1 +ATOM 24966 C CD2 A TYR S 1 107 ? -15.240 8.224 -22.334 0.40 47.89 ? 107 TYR a CD2 1 +ATOM 24967 C CD2 B TYR S 1 107 ? -15.186 8.257 -22.266 0.60 47.97 ? 107 TYR a CD2 1 +ATOM 24968 C CE1 A TYR S 1 107 ? -16.019 10.736 -21.422 0.40 46.81 ? 107 TYR a CE1 1 +ATOM 24969 C CE1 B TYR S 1 107 ? -16.013 10.764 -21.391 0.60 46.76 ? 107 TYR a CE1 1 +ATOM 24970 C CE2 A TYR S 1 107 ? -14.920 9.364 -23.074 0.40 45.18 ? 107 TYR a CE2 1 +ATOM 24971 C CE2 B TYR S 1 107 ? -14.846 9.397 -22.999 0.60 45.19 ? 107 TYR a CE2 1 +ATOM 24972 C CZ A TYR S 1 107 ? -15.308 10.613 -22.601 0.40 49.16 ? 107 TYR a CZ 1 +ATOM 24973 C CZ B TYR S 1 107 ? -15.263 10.644 -22.551 0.60 49.25 ? 107 TYR a CZ 1 +ATOM 24974 O OH A TYR S 1 107 ? -14.997 11.748 -23.301 0.40 48.09 ? 107 TYR a OH 1 +ATOM 24975 O OH B TYR S 1 107 ? -14.929 11.774 -23.259 0.60 48.13 ? 107 TYR a OH 1 +ATOM 24976 N N A ASN S 1 108 ? -15.954 7.990 -17.280 0.40 44.76 ? 108 ASN a N 1 +ATOM 24977 N N B ASN S 1 108 ? -15.942 7.994 -17.236 0.60 44.76 ? 108 ASN a N 1 +ATOM 24978 C CA A ASN S 1 108 ? -15.937 9.097 -16.344 0.40 45.62 ? 108 ASN a CA 1 +ATOM 24979 C CA B ASN S 1 108 ? -15.920 9.118 -16.309 0.60 45.57 ? 108 ASN a CA 1 +ATOM 24980 C C A ASN S 1 108 ? -15.108 8.830 -15.089 0.40 45.50 ? 108 ASN a C 1 +ATOM 24981 C C B ASN S 1 108 ? -15.085 8.872 -15.057 0.60 45.46 ? 108 ASN a C 1 +ATOM 24982 O O A ASN S 1 108 ? -15.080 9.677 -14.193 0.40 46.18 ? 108 ASN a O 1 +ATOM 24983 O O B ASN S 1 108 ? -15.068 9.730 -14.165 0.60 46.20 ? 108 ASN a O 1 +ATOM 24984 C CB A ASN S 1 108 ? -17.377 9.451 -15.969 0.40 48.29 ? 108 ASN a CB 1 +ATOM 24985 C CB B ASN S 1 108 ? -17.356 9.479 -15.912 0.60 48.27 ? 108 ASN a CB 1 +ATOM 24986 C CG A ASN S 1 108 ? -18.101 10.146 -17.109 0.40 55.99 ? 108 ASN a CG 1 +ATOM 24987 C CG B ASN S 1 108 ? -18.128 10.119 -17.057 0.60 56.21 ? 108 ASN a CG 1 +ATOM 24988 O OD1 A ASN S 1 108 ? -17.952 11.345 -17.300 0.40 55.33 ? 108 ASN a OD1 1 +ATOM 24989 O OD1 B ASN S 1 108 ? -18.027 11.319 -17.283 0.60 55.43 ? 108 ASN a OD1 1 +ATOM 24990 N ND2 A ASN S 1 108 ? -18.849 9.386 -17.898 0.40 51.99 ? 108 ASN a ND2 1 +ATOM 24991 N ND2 B ASN S 1 108 ? -18.885 9.313 -17.796 0.60 52.13 ? 108 ASN a ND2 1 +ATOM 24992 N N A GLY S 1 109 ? -14.434 7.691 -14.996 0.40 48.55 ? 109 GLY a N 1 +ATOM 24993 N N B GLY S 1 109 ? -14.400 7.737 -14.956 0.60 48.68 ? 109 GLY a N 1 +ATOM 24994 C CA A GLY S 1 109 ? -13.518 7.474 -13.891 0.40 43.60 ? 109 GLY a CA 1 +ATOM 24995 C CA B GLY S 1 109 ? -13.501 7.515 -13.838 0.60 43.48 ? 109 GLY a CA 1 +ATOM 24996 C C A GLY S 1 109 ? -14.141 6.915 -12.638 0.40 48.01 ? 109 GLY a C 1 +ATOM 24997 C C B GLY S 1 109 ? -14.149 6.972 -12.584 0.60 48.06 ? 109 GLY a C 1 +ATOM 24998 O O A GLY S 1 109 ? -13.584 7.081 -11.558 0.40 47.42 ? 109 GLY a O 1 +ATOM 24999 O O B GLY S 1 109 ? -13.645 7.206 -11.485 0.60 47.34 ? 109 GLY a O 1 +ATOM 25000 N N A GLY S 1 110 ? -15.286 6.223 -12.753 0.40 51.45 ? 110 GLY a N 1 +ATOM 25001 N N B GLY S 1 110 ? -15.264 6.242 -12.718 0.60 51.63 ? 110 GLY a N 1 +ATOM 25002 C CA A GLY S 1 110 ? -15.903 5.595 -11.610 0.40 45.55 ? 110 GLY a CA 1 +ATOM 25003 C CA B GLY S 1 110 ? -15.892 5.608 -11.578 0.60 45.46 ? 110 GLY a CA 1 +ATOM 25004 C C A GLY S 1 110 ? -14.993 4.737 -10.740 0.40 46.83 ? 110 GLY a C 1 +ATOM 25005 C C B GLY S 1 110 ? -15.002 4.736 -10.718 0.60 46.83 ? 110 GLY a C 1 +ATOM 25006 O O A GLY S 1 110 ? -15.084 4.815 -9.511 0.40 49.35 ? 110 GLY a O 1 +ATOM 25007 O O B GLY S 1 110 ? -15.102 4.794 -9.486 0.60 49.47 ? 110 GLY a O 1 +ATOM 25008 N N A PRO S 1 111 ? -14.143 3.887 -11.330 0.40 47.50 ? 111 PRO a N 1 +ATOM 25009 N N B PRO S 1 111 ? -14.161 3.876 -11.310 0.60 47.50 ? 111 PRO a N 1 +ATOM 25010 C CA A PRO S 1 111 ? -13.306 3.011 -10.479 0.40 48.06 ? 111 PRO a CA 1 +ATOM 25011 C CA B PRO S 1 111 ? -13.305 3.018 -10.463 0.60 48.07 ? 111 PRO a CA 1 +ATOM 25012 C C A PRO S 1 111 ? -12.465 3.762 -9.456 0.40 48.74 ? 111 PRO a C 1 +ATOM 25013 C C B PRO S 1 111 ? -12.476 3.786 -9.443 0.60 48.78 ? 111 PRO a C 1 +ATOM 25014 O O A PRO S 1 111 ? -12.280 3.257 -8.342 0.40 48.87 ? 111 PRO a O 1 +ATOM 25015 O O B PRO S 1 111 ? -12.328 3.317 -8.307 0.60 48.90 ? 111 PRO a O 1 +ATOM 25016 C CB A PRO S 1 111 ? -12.430 2.256 -11.495 0.40 45.83 ? 111 PRO a CB 1 +ATOM 25017 C CB B PRO S 1 111 ? -12.418 2.292 -11.485 0.60 45.84 ? 111 PRO a CB 1 +ATOM 25018 C CG A PRO S 1 111 ? -13.282 2.203 -12.760 0.40 47.98 ? 111 PRO a CG 1 +ATOM 25019 C CG B PRO S 1 111 ? -13.257 2.237 -12.735 0.60 48.08 ? 111 PRO a CG 1 +ATOM 25020 C CD A PRO S 1 111 ? -14.110 3.475 -12.756 0.40 45.82 ? 111 PRO a CD 1 +ATOM 25021 C CD B PRO S 1 111 ? -14.124 3.467 -12.740 0.60 45.82 ? 111 PRO a CD 1 +ATOM 25022 N N A TYR S 1 112 ? -11.986 4.964 -9.784 0.40 45.58 ? 112 TYR a N 1 +ATOM 25023 N N B TYR S 1 112 ? -11.945 4.952 -9.809 0.60 45.54 ? 112 TYR a N 1 +ATOM 25024 C CA A TYR S 1 112 ? -11.188 5.741 -8.834 0.40 50.51 ? 112 TYR a CA 1 +ATOM 25025 C CA B TYR S 1 112 ? -11.172 5.755 -8.862 0.60 50.68 ? 112 TYR a CA 1 +ATOM 25026 C C A TYR S 1 112 ? -11.950 5.987 -7.539 0.40 49.94 ? 112 TYR a C 1 +ATOM 25027 C C B TYR S 1 112 ? -11.934 5.970 -7.564 0.60 50.02 ? 112 TYR a C 1 +ATOM 25028 O O A TYR S 1 112 ? -11.404 5.825 -6.446 0.40 51.32 ? 112 TYR a O 1 +ATOM 25029 O O B TYR S 1 112 ? -11.399 5.739 -6.478 0.60 51.43 ? 112 TYR a O 1 +ATOM 25030 C CB A TYR S 1 112 ? -10.775 7.079 -9.467 0.40 44.17 ? 112 TYR a CB 1 +ATOM 25031 C CB B TYR S 1 112 ? -10.804 7.112 -9.482 0.60 44.06 ? 112 TYR a CB 1 +ATOM 25032 C CG A TYR S 1 112 ? -9.894 7.941 -8.588 0.40 46.58 ? 112 TYR a CG 1 +ATOM 25033 C CG B TYR S 1 112 ? -9.908 7.963 -8.601 0.60 46.69 ? 112 TYR a CG 1 +ATOM 25034 C CD1 A TYR S 1 112 ? -8.534 7.680 -8.468 0.40 44.20 ? 112 TYR a CD1 1 +ATOM 25035 C CD1 B TYR S 1 112 ? -8.542 7.722 -8.531 0.60 44.15 ? 112 TYR a CD1 1 +ATOM 25036 C CD2 A TYR S 1 112 ? -10.417 9.021 -7.881 0.40 43.79 ? 112 TYR a CD2 1 +ATOM 25037 C CD2 B TYR S 1 112 ? -10.428 9.008 -7.843 0.60 43.70 ? 112 TYR a CD2 1 +ATOM 25038 C CE1 A TYR S 1 112 ? -7.717 8.473 -7.662 0.40 44.25 ? 112 TYR a CE1 1 +ATOM 25039 C CE1 B TYR S 1 112 ? -7.719 8.489 -7.729 0.60 44.32 ? 112 TYR a CE1 1 +ATOM 25040 C CE2 A TYR S 1 112 ? -9.614 9.807 -7.082 0.40 44.97 ? 112 TYR a CE2 1 +ATOM 25041 C CE2 B TYR S 1 112 ? -9.608 9.780 -7.044 0.60 44.98 ? 112 TYR a CE2 1 +ATOM 25042 C CZ A TYR S 1 112 ? -8.263 9.531 -6.976 0.40 44.50 ? 112 TYR a CZ 1 +ATOM 25043 C CZ B TYR S 1 112 ? -8.254 9.517 -6.990 0.60 44.50 ? 112 TYR a CZ 1 +ATOM 25044 O OH A TYR S 1 112 ? -7.454 10.318 -6.180 0.40 45.83 ? 112 TYR a OH 1 +ATOM 25045 O OH B TYR S 1 112 ? -7.427 10.282 -6.199 0.60 45.91 ? 112 TYR a OH 1 +ATOM 25046 N N A GLN S 1 113 ? -13.212 6.403 -7.646 0.40 48.02 ? 113 GLN a N 1 +ATOM 25047 N N B GLN S 1 113 ? -13.192 6.408 -7.661 0.60 48.13 ? 113 GLN a N 1 +ATOM 25048 C CA A GLN S 1 113 ? -13.994 6.703 -6.452 0.40 46.86 ? 113 GLN a CA 1 +ATOM 25049 C CA B GLN S 1 113 ? -13.966 6.701 -6.457 0.60 46.83 ? 113 GLN a CA 1 +ATOM 25050 C C A GLN S 1 113 ? -14.230 5.448 -5.626 0.40 47.25 ? 113 GLN a C 1 +ATOM 25051 C C B GLN S 1 113 ? -14.221 5.447 -5.635 0.60 47.17 ? 113 GLN a C 1 +ATOM 25052 O O A GLN S 1 113 ? -14.069 5.464 -4.401 0.40 51.47 ? 113 GLN a O 1 +ATOM 25053 O O B GLN S 1 113 ? -14.073 5.468 -4.407 0.60 51.60 ? 113 GLN a O 1 +ATOM 25054 C CB A GLN S 1 113 ? -15.321 7.362 -6.837 0.40 41.53 ? 113 GLN a CB 1 +ATOM 25055 C CB B GLN S 1 113 ? -15.284 7.385 -6.824 0.60 41.41 ? 113 GLN a CB 1 +ATOM 25056 C CG A GLN S 1 113 ? -15.211 8.877 -7.036 0.40 49.19 ? 113 GLN a CG 1 +ATOM 25057 C CG B GLN S 1 113 ? -15.127 8.882 -6.987 0.60 49.14 ? 113 GLN a CG 1 +ATOM 25058 C CD A GLN S 1 113 ? -16.569 9.576 -7.009 0.40 57.61 ? 113 GLN a CD 1 +ATOM 25059 C CD B GLN S 1 113 ? -16.451 9.634 -7.047 0.60 58.00 ? 113 GLN a CD 1 +ATOM 25060 O OE1 A GLN S 1 113 ? -17.555 9.024 -6.523 0.40 53.21 ? 113 GLN a OE1 1 +ATOM 25061 O OE1 B GLN S 1 113 ? -17.476 9.170 -6.543 0.60 53.47 ? 113 GLN a OE1 1 +ATOM 25062 N NE2 A GLN S 1 113 ? -16.627 10.781 -7.565 0.40 49.60 ? 113 GLN a NE2 1 +ATOM 25063 N NE2 B GLN S 1 113 ? -16.432 10.800 -7.679 0.60 48.85 ? 113 GLN a NE2 1 +ATOM 25064 N N . LEU S 1 114 ? -14.610 4.349 -6.291 1.00 45.65 ? 114 LEU a N 1 +ATOM 25065 C CA . LEU S 1 114 ? -14.801 3.083 -5.593 1.00 50.70 ? 114 LEU a CA 1 +ATOM 25066 C C . LEU S 1 114 ? -13.538 2.676 -4.840 1.00 50.89 ? 114 LEU a C 1 +ATOM 25067 O O . LEU S 1 114 ? -13.594 2.306 -3.662 1.00 51.18 ? 114 LEU a O 1 +ATOM 25068 C CB . LEU S 1 114 ? -15.221 1.990 -6.584 1.00 41.50 ? 114 LEU a CB 1 +ATOM 25069 C CG . LEU S 1 114 ? -15.683 0.637 -6.011 1.00 53.30 ? 114 LEU a CG 1 +ATOM 25070 C CD1 . LEU S 1 114 ? -16.707 -0.039 -6.949 1.00 47.85 ? 114 LEU a CD1 1 +ATOM 25071 C CD2 . LEU S 1 114 ? -14.509 -0.338 -5.732 1.00 45.16 ? 114 LEU a CD2 1 +ATOM 25072 N N . ILE S 1 115 ? -12.383 2.775 -5.496 1.00 50.12 ? 115 ILE a N 1 +ATOM 25073 C CA . ILE S 1 115 ? -11.145 2.332 -4.869 1.00 48.94 ? 115 ILE a CA 1 +ATOM 25074 C C . ILE S 1 115 ? -10.773 3.216 -3.679 1.00 47.77 ? 115 ILE a C 1 +ATOM 25075 O O . ILE S 1 115 ? -10.471 2.702 -2.595 1.00 50.01 ? 115 ILE a O 1 +ATOM 25076 C CB . ILE S 1 115 ? -10.003 2.265 -5.893 1.00 50.12 ? 115 ILE a CB 1 +ATOM 25077 C CG1 . ILE S 1 115 ? -10.266 1.169 -6.918 1.00 44.62 ? 115 ILE a CG1 1 +ATOM 25078 C CG2 . ILE S 1 115 ? -8.694 1.996 -5.176 1.00 45.36 ? 115 ILE a CG2 1 +ATOM 25079 C CD1 . ILE S 1 115 ? -9.526 1.395 -8.227 1.00 48.19 ? 115 ILE a CD1 1 +ATOM 25080 N N A ILE S 1 116 ? -10.766 4.546 -3.856 0.40 46.25 ? 116 ILE a N 1 +ATOM 25081 N N B ILE S 1 116 ? -10.777 4.548 -3.847 0.60 46.19 ? 116 ILE a N 1 +ATOM 25082 C CA A ILE S 1 116 ? -10.245 5.361 -2.755 0.40 51.83 ? 116 ILE a CA 1 +ATOM 25083 C CA B ILE S 1 116 ? -10.255 5.357 -2.744 0.60 51.89 ? 116 ILE a CA 1 +ATOM 25084 C C A ILE S 1 116 ? -11.194 5.353 -1.553 0.40 51.61 ? 116 ILE a C 1 +ATOM 25085 C C B ILE S 1 116 ? -11.202 5.349 -1.545 0.60 51.67 ? 116 ILE a C 1 +ATOM 25086 O O A ILE S 1 116 ? -10.734 5.422 -0.406 0.40 52.16 ? 116 ILE a O 1 +ATOM 25087 O O B ILE S 1 116 ? -10.743 5.404 -0.402 0.60 52.23 ? 116 ILE a O 1 +ATOM 25088 C CB A ILE S 1 116 ? -9.907 6.815 -3.168 0.40 54.12 ? 116 ILE a CB 1 +ATOM 25089 C CB B ILE S 1 116 ? -9.913 6.808 -3.157 0.60 54.27 ? 116 ILE a CB 1 +ATOM 25090 C CG1 A ILE S 1 116 ? -11.158 7.569 -3.613 0.40 51.03 ? 116 ILE a CG1 1 +ATOM 25091 C CG1 B ILE S 1 116 ? -11.169 7.602 -3.527 0.60 50.95 ? 116 ILE a CG1 1 +ATOM 25092 C CG2 A ILE S 1 116 ? -8.724 6.868 -4.169 0.40 44.30 ? 116 ILE a CG2 1 +ATOM 25093 C CG2 B ILE S 1 116 ? -8.808 6.836 -4.226 0.60 44.35 ? 116 ILE a CG2 1 +ATOM 25094 C CD1 A ILE S 1 116 ? -10.978 9.057 -3.678 0.40 52.54 ? 116 ILE a CD1 1 +ATOM 25095 C CD1 B ILE S 1 116 ? -10.921 9.065 -3.705 0.60 52.62 ? 116 ILE a CD1 1 +ATOM 25096 N N A PHE S 1 117 ? -12.513 5.281 -1.769 0.40 48.61 ? 117 PHE a N 1 +ATOM 25097 N N B PHE S 1 117 ? -12.521 5.291 -1.762 0.60 48.60 ? 117 PHE a N 1 +ATOM 25098 C CA A PHE S 1 117 ? -13.422 5.300 -0.619 0.40 53.23 ? 117 PHE a CA 1 +ATOM 25099 C CA B PHE S 1 117 ? -13.429 5.305 -0.614 0.60 53.24 ? 117 PHE a CA 1 +ATOM 25100 C C A PHE S 1 117 ? -13.323 4.007 0.179 0.40 54.70 ? 117 PHE a C 1 +ATOM 25101 C C B PHE S 1 117 ? -13.331 4.006 0.180 0.60 54.78 ? 117 PHE a C 1 +ATOM 25102 O O A PHE S 1 117 ? -13.262 4.041 1.415 0.40 51.52 ? 117 PHE a O 1 +ATOM 25103 O O B PHE S 1 117 ? -13.299 4.030 1.417 0.60 51.56 ? 117 PHE a O 1 +ATOM 25104 C CB A PHE S 1 117 ? -14.871 5.538 -1.048 0.40 52.31 ? 117 PHE a CB 1 +ATOM 25105 C CB B PHE S 1 117 ? -14.873 5.550 -1.056 0.60 52.26 ? 117 PHE a CB 1 +ATOM 25106 C CG A PHE S 1 117 ? -15.100 6.866 -1.705 0.40 57.58 ? 117 PHE a CG 1 +ATOM 25107 C CG B PHE S 1 117 ? -15.098 6.891 -1.713 0.60 57.61 ? 117 PHE a CG 1 +ATOM 25108 C CD1 A PHE S 1 117 ? -14.239 7.923 -1.481 0.40 59.04 ? 117 PHE a CD1 1 +ATOM 25109 C CD1 B PHE S 1 117 ? -14.221 7.939 -1.507 0.60 59.11 ? 117 PHE a CD1 1 +ATOM 25110 C CD2 A PHE S 1 117 ? -16.171 7.050 -2.566 0.40 57.75 ? 117 PHE a CD2 1 +ATOM 25111 C CD2 B PHE S 1 117 ? -16.190 7.092 -2.545 0.60 57.77 ? 117 PHE a CD2 1 +ATOM 25112 C CE1 A PHE S 1 117 ? -14.441 9.140 -2.098 0.40 64.74 ? 117 PHE a CE1 1 +ATOM 25113 C CE1 B PHE S 1 117 ? -14.427 9.166 -2.120 0.60 64.91 ? 117 PHE a CE1 1 +ATOM 25114 C CE2 A PHE S 1 117 ? -16.377 8.278 -3.187 0.40 58.10 ? 117 PHE a CE2 1 +ATOM 25115 C CE2 B PHE S 1 117 ? -16.403 8.311 -3.157 0.60 58.18 ? 117 PHE a CE2 1 +ATOM 25116 C CZ A PHE S 1 117 ? -15.511 9.316 -2.953 0.40 55.33 ? 117 PHE a CZ 1 +ATOM 25117 C CZ B PHE S 1 117 ? -15.520 9.352 -2.947 0.60 55.31 ? 117 PHE a CZ 1 +ATOM 25118 N N . HIS S 1 118 ? -13.276 2.862 -0.515 1.00 48.59 ? 118 HIS a N 1 +ATOM 25119 C CA . HIS S 1 118 ? -13.092 1.589 0.170 1.00 52.87 ? 118 HIS a CA 1 +ATOM 25120 C C . HIS S 1 118 ? -11.730 1.526 0.860 1.00 51.83 ? 118 HIS a C 1 +ATOM 25121 O O . HIS S 1 118 ? -11.623 1.039 1.988 1.00 51.71 ? 118 HIS a O 1 +ATOM 25122 C CB . HIS S 1 118 ? -13.267 0.429 -0.808 1.00 39.03 ? 118 HIS a CB 1 +ATOM 25123 C CG . HIS S 1 118 ? -14.700 0.107 -1.126 1.00 57.52 ? 118 HIS a CG 1 +ATOM 25124 N ND1 . HIS S 1 118 ? -15.376 0.669 -2.189 1.00 48.12 ? 118 HIS a ND1 1 +ATOM 25125 C CD2 . HIS S 1 118 ? -15.576 -0.752 -0.540 1.00 51.55 ? 118 HIS a CD2 1 +ATOM 25126 C CE1 . HIS S 1 118 ? -16.606 0.183 -2.236 1.00 53.00 ? 118 HIS a CE1 1 +ATOM 25127 N NE2 . HIS S 1 118 ? -16.759 -0.674 -1.242 1.00 48.82 ? 118 HIS a NE2 1 +ATOM 25128 N N . PHE S 1 119 ? -10.683 2.039 0.207 1.00 53.38 ? 119 PHE a N 1 +ATOM 25129 C CA . PHE S 1 119 ? -9.343 2.000 0.787 1.00 50.94 ? 119 PHE a CA 1 +ATOM 25130 C C . PHE S 1 119 ? -9.246 2.869 2.040 1.00 53.60 ? 119 PHE a C 1 +ATOM 25131 O O . PHE S 1 119 ? -8.693 2.442 3.061 1.00 50.48 ? 119 PHE a O 1 +ATOM 25132 C CB . PHE S 1 119 ? -8.298 2.446 -0.247 1.00 47.92 ? 119 PHE a CB 1 +ATOM 25133 C CG . PHE S 1 119 ? -6.958 2.745 0.352 1.00 47.82 ? 119 PHE a CG 1 +ATOM 25134 C CD1 . PHE S 1 119 ? -6.109 1.707 0.730 1.00 49.32 ? 119 PHE a CD1 1 +ATOM 25135 C CD2 . PHE S 1 119 ? -6.562 4.055 0.592 1.00 42.56 ? 119 PHE a CD2 1 +ATOM 25136 C CE1 . PHE S 1 119 ? -4.876 1.977 1.307 1.00 53.57 ? 119 PHE a CE1 1 +ATOM 25137 C CE2 . PHE S 1 119 ? -5.333 4.341 1.182 1.00 52.23 ? 119 PHE a CE2 1 +ATOM 25138 C CZ . PHE S 1 119 ? -4.489 3.311 1.544 1.00 54.22 ? 119 PHE a CZ 1 +ATOM 25139 N N A LEU S 1 120 ? -9.761 4.102 1.988 0.40 51.60 ? 120 LEU a N 1 +ATOM 25140 N N B LEU S 1 120 ? -9.733 4.113 1.959 0.60 51.66 ? 120 LEU a N 1 +ATOM 25141 C CA A LEU S 1 120 ? -9.659 4.977 3.151 0.40 51.33 ? 120 LEU a CA 1 +ATOM 25142 C CA B LEU S 1 120 ? -9.676 4.999 3.118 0.60 51.27 ? 120 LEU a CA 1 +ATOM 25143 C C A LEU S 1 120 ? -10.447 4.410 4.328 0.40 52.79 ? 120 LEU a C 1 +ATOM 25144 C C B LEU S 1 120 ? -10.432 4.398 4.301 0.60 52.88 ? 120 LEU a C 1 +ATOM 25145 O O A LEU S 1 120 ? -9.980 4.455 5.468 0.40 52.95 ? 120 LEU a O 1 +ATOM 25146 O O B LEU S 1 120 ? -9.929 4.404 5.427 0.60 52.85 ? 120 LEU a O 1 +ATOM 25147 C CB A LEU S 1 120 ? -10.131 6.389 2.805 0.40 47.72 ? 120 LEU a CB 1 +ATOM 25148 C CB B LEU S 1 120 ? -10.213 6.384 2.752 0.60 47.54 ? 120 LEU a CB 1 +ATOM 25149 C CG A LEU S 1 120 ? -9.166 7.193 1.919 0.40 55.70 ? 120 LEU a CG 1 +ATOM 25150 C CG B LEU S 1 120 ? -9.239 7.229 1.901 0.60 55.92 ? 120 LEU a CG 1 +ATOM 25151 C CD1 A LEU S 1 120 ? -9.766 8.541 1.497 0.40 48.38 ? 120 LEU a CD1 1 +ATOM 25152 C CD1 B LEU S 1 120 ? -9.835 8.579 1.468 0.60 48.31 ? 120 LEU a CD1 1 +ATOM 25153 C CD2 A LEU S 1 120 ? -7.835 7.411 2.600 0.40 48.20 ? 120 LEU a CD2 1 +ATOM 25154 C CD2 B LEU S 1 120 ? -7.918 7.460 2.617 0.60 48.12 ? 120 LEU a CD2 1 +ATOM 25155 N N . LEU S 1 121 ? -11.624 3.841 4.051 1.00 50.80 ? 121 LEU a N 1 +ATOM 25156 C CA . LEU S 1 121 ? -12.370 3.118 5.073 1.00 55.79 ? 121 LEU a CA 1 +ATOM 25157 C C . LEU S 1 121 ? -11.563 1.949 5.611 1.00 54.51 ? 121 LEU a C 1 +ATOM 25158 O O . LEU S 1 121 ? -11.418 1.781 6.828 1.00 52.21 ? 121 LEU a O 1 +ATOM 25159 C CB . LEU S 1 121 ? -13.680 2.597 4.486 1.00 52.36 ? 121 LEU a CB 1 +ATOM 25160 C CG . LEU S 1 121 ? -14.937 3.247 5.029 1.00 81.83 ? 121 LEU a CG 1 +ATOM 25161 C CD1 . LEU S 1 121 ? -16.153 2.755 4.277 1.00 72.45 ? 121 LEU a CD1 1 +ATOM 25162 C CD2 . LEU S 1 121 ? -15.038 2.958 6.527 1.00 76.04 ? 121 LEU a CD2 1 +ATOM 25163 N N . GLY S 1 122 ? -11.048 1.115 4.707 1.00 54.99 ? 122 GLY a N 1 +ATOM 25164 C CA . GLY S 1 122 ? -10.305 -0.055 5.134 1.00 45.08 ? 122 GLY a CA 1 +ATOM 25165 C C . GLY S 1 122 ? -9.054 0.298 5.908 1.00 46.26 ? 122 GLY a C 1 +ATOM 25166 O O . GLY S 1 122 ? -8.686 -0.396 6.852 1.00 51.47 ? 122 GLY a O 1 +ATOM 25167 N N . ALA S 1 123 ? -8.381 1.381 5.519 1.00 48.33 ? 123 ALA a N 1 +ATOM 25168 C CA . ALA S 1 123 ? -7.157 1.753 6.215 1.00 49.94 ? 123 ALA a CA 1 +ATOM 25169 C C . ALA S 1 123 ? -7.443 2.393 7.568 1.00 51.36 ? 123 ALA a C 1 +ATOM 25170 O O . ALA S 1 123 ? -6.631 2.259 8.485 1.00 48.10 ? 123 ALA a O 1 +ATOM 25171 C CB . ALA S 1 123 ? -6.315 2.689 5.354 1.00 45.98 ? 123 ALA a CB 1 +ATOM 25172 N N . SER S 1 124 ? -8.569 3.101 7.700 1.00 46.76 ? 124 SER a N 1 +ATOM 25173 C CA . SER S 1 124 ? -8.982 3.615 9.001 1.00 48.94 ? 124 SER a CA 1 +ATOM 25174 C C . SER S 1 124 ? -9.240 2.475 9.989 1.00 56.91 ? 124 SER a C 1 +ATOM 25175 O O . SER S 1 124 ? -8.847 2.548 11.163 1.00 51.74 ? 124 SER a O 1 +ATOM 25176 C CB . SER S 1 124 ? -10.228 4.478 8.831 1.00 46.43 ? 124 SER a CB 1 +ATOM 25177 O OG . SER S 1 124 ? -9.899 5.640 8.095 1.00 51.49 ? 124 SER a OG 1 +ATOM 25178 N N . CYS S 1 125 ? -9.904 1.418 9.522 1.00 44.86 ? 125 CYS a N 1 +ATOM 25179 C CA . CYS S 1 125 ? -10.140 0.230 10.325 1.00 48.06 ? 125 CYS a CA 1 +ATOM 25180 C C . CYS S 1 125 ? -8.852 -0.536 10.577 1.00 60.26 ? 125 CYS a C 1 +ATOM 25181 O O . CYS S 1 125 ? -8.722 -1.211 11.605 1.00 55.80 ? 125 CYS a O 1 +ATOM 25182 C CB . CYS S 1 125 ? -11.151 -0.667 9.621 1.00 40.66 ? 125 CYS a CB 1 +ATOM 25183 S SG . CYS S 1 125 ? -12.781 0.094 9.614 1.00 56.76 ? 125 CYS a SG 1 +ATOM 25184 N N . TYR S 1 126 ? -7.897 -0.458 9.649 1.00 47.35 ? 126 TYR a N 1 +ATOM 25185 C CA . TYR S 1 126 ? -6.599 -1.058 9.903 1.00 51.11 ? 126 TYR a CA 1 +ATOM 25186 C C . TYR S 1 126 ? -5.959 -0.425 11.138 1.00 51.91 ? 126 TYR a C 1 +ATOM 25187 O O . TYR S 1 126 ? -5.392 -1.129 11.985 1.00 52.26 ? 126 TYR a O 1 +ATOM 25188 C CB . TYR S 1 126 ? -5.713 -0.916 8.659 1.00 46.64 ? 126 TYR a CB 1 +ATOM 25189 C CG . TYR S 1 126 ? -4.394 -1.648 8.709 1.00 43.21 ? 126 TYR a CG 1 +ATOM 25190 C CD1 . TYR S 1 126 ? -3.265 -1.029 9.238 1.00 50.84 ? 126 TYR a CD1 1 +ATOM 25191 C CD2 . TYR S 1 126 ? -4.265 -2.950 8.216 1.00 48.70 ? 126 TYR a CD2 1 +ATOM 25192 C CE1 . TYR S 1 126 ? -2.039 -1.686 9.290 1.00 45.16 ? 126 TYR a CE1 1 +ATOM 25193 C CE2 . TYR S 1 126 ? -3.030 -3.623 8.253 1.00 45.59 ? 126 TYR a CE2 1 +ATOM 25194 C CZ . TYR S 1 126 ? -1.926 -2.967 8.798 1.00 49.90 ? 126 TYR a CZ 1 +ATOM 25195 O OH . TYR S 1 126 ? -0.703 -3.582 8.851 1.00 50.52 ? 126 TYR a OH 1 +ATOM 25196 N N . MET S 1 127 ? -6.090 0.897 11.274 1.00 47.68 ? 127 MET a N 1 +ATOM 25197 C CA . MET S 1 127 ? -5.579 1.600 12.443 1.00 54.87 ? 127 MET a CA 1 +ATOM 25198 C C . MET S 1 127 ? -6.352 1.198 13.705 1.00 59.12 ? 127 MET a C 1 +ATOM 25199 O O . MET S 1 127 ? -5.751 0.894 14.741 1.00 53.57 ? 127 MET a O 1 +ATOM 25200 C CB . MET S 1 127 ? -5.638 3.125 12.198 1.00 49.50 ? 127 MET a CB 1 +ATOM 25201 C CG . MET S 1 127 ? -5.135 3.959 13.362 1.00 47.60 ? 127 MET a CG 1 +ATOM 25202 S SD . MET S 1 127 ? -5.144 5.741 13.118 1.00 55.78 ? 127 MET a SD 1 +ATOM 25203 C CE . MET S 1 127 ? -6.919 6.005 12.892 1.00 51.23 ? 127 MET a CE 1 +ATOM 25204 N N . GLY S 1 128 ? -7.686 1.159 13.628 1.00 50.55 ? 128 GLY a N 1 +ATOM 25205 C CA . GLY S 1 128 ? -8.470 0.675 14.755 1.00 48.99 ? 128 GLY a CA 1 +ATOM 25206 C C . GLY S 1 128 ? -8.081 -0.734 15.170 1.00 51.80 ? 128 GLY a C 1 +ATOM 25207 O O . GLY S 1 128 ? -7.993 -1.039 16.359 1.00 54.33 ? 128 GLY a O 1 +ATOM 25208 N N . ARG S 1 129 ? -7.831 -1.601 14.185 1.00 54.82 ? 129 ARG a N 1 +ATOM 25209 C CA . ARG S 1 129 ? -7.404 -2.975 14.417 1.00 54.49 ? 129 ARG a CA 1 +ATOM 25210 C C . ARG S 1 129 ? -6.075 -3.050 15.162 1.00 51.05 ? 129 ARG a C 1 +ATOM 25211 O O . ARG S 1 129 ? -5.864 -3.968 15.949 1.00 50.35 ? 129 ARG a O 1 +ATOM 25212 C CB . ARG S 1 129 ? -7.306 -3.698 13.067 1.00 57.26 ? 129 ARG a CB 1 +ATOM 25213 C CG . ARG S 1 129 ? -6.899 -5.175 13.105 1.00 50.47 ? 129 ARG a CG 1 +ATOM 25214 C CD . ARG S 1 129 ? -7.258 -5.842 11.788 1.00 42.79 ? 129 ARG a CD 1 +ATOM 25215 N NE . ARG S 1 129 ? -6.690 -7.184 11.658 1.00 50.32 ? 129 ARG a NE 1 +ATOM 25216 C CZ . ARG S 1 129 ? -5.480 -7.442 11.172 1.00 48.64 ? 129 ARG a CZ 1 +ATOM 25217 N NH1 . ARG S 1 129 ? -4.666 -6.469 10.785 1.00 51.53 ? 129 ARG a NH1 1 +ATOM 25218 N NH2 . ARG S 1 129 ? -5.071 -8.703 11.083 1.00 45.54 ? 129 ARG a NH2 1 +ATOM 25219 N N A GLN S 1 130 ? -5.167 -2.106 14.925 0.40 48.72 ? 130 GLN a N 1 +ATOM 25220 N N B GLN S 1 130 ? -5.172 -2.097 14.921 0.60 48.70 ? 130 GLN a N 1 +ATOM 25221 C CA A GLN S 1 130 ? -3.923 -2.094 15.683 0.40 50.83 ? 130 GLN a CA 1 +ATOM 25222 C CA B GLN S 1 130 ? -3.927 -2.072 15.681 0.60 50.87 ? 130 GLN a CA 1 +ATOM 25223 C C A GLN S 1 130 ? -4.173 -1.741 17.148 0.40 55.39 ? 130 GLN a C 1 +ATOM 25224 C C B GLN S 1 130 ? -4.182 -1.751 17.149 0.60 55.49 ? 130 GLN a C 1 +ATOM 25225 O O A GLN S 1 130 ? -3.510 -2.289 18.037 0.40 55.08 ? 130 GLN a O 1 +ATOM 25226 O O B GLN S 1 130 ? -3.515 -2.307 18.029 0.60 55.21 ? 130 GLN a O 1 +ATOM 25227 C CB A GLN S 1 130 ? -2.924 -1.118 15.057 0.40 49.63 ? 130 GLN a CB 1 +ATOM 25228 C CB B GLN S 1 130 ? -2.952 -1.066 15.076 0.60 49.52 ? 130 GLN a CB 1 +ATOM 25229 C CG A GLN S 1 130 ? -2.299 -1.587 13.734 0.40 51.74 ? 130 GLN a CG 1 +ATOM 25230 C CG B GLN S 1 130 ? -2.305 -1.537 13.768 0.60 51.90 ? 130 GLN a CG 1 +ATOM 25231 C CD A GLN S 1 130 ? -1.342 -0.554 13.180 0.40 51.78 ? 130 GLN a CD 1 +ATOM 25232 C CD B GLN S 1 130 ? -1.375 -0.496 13.203 0.60 51.87 ? 130 GLN a CD 1 +ATOM 25233 O OE1 A GLN S 1 130 ? -1.566 0.638 13.340 0.40 53.18 ? 130 GLN a OE1 1 +ATOM 25234 O OE1 B GLN S 1 130 ? -1.640 0.699 13.315 0.60 53.31 ? 130 GLN a OE1 1 +ATOM 25235 N NE2 A GLN S 1 130 ? -0.260 -1.006 12.543 0.40 49.74 ? 130 GLN a NE2 1 +ATOM 25236 N NE2 B GLN S 1 130 ? -0.271 -0.935 12.610 0.60 49.81 ? 130 GLN a NE2 1 +ATOM 25237 N N . TRP S 1 131 ? -5.133 -0.855 17.439 1.00 46.80 ? 131 TRP a N 1 +ATOM 25238 C CA . TRP S 1 131 ? -5.489 -0.621 18.836 1.00 46.24 ? 131 TRP a CA 1 +ATOM 25239 C C . TRP S 1 131 ? -6.093 -1.893 19.429 1.00 56.14 ? 131 TRP a C 1 +ATOM 25240 O O . TRP S 1 131 ? -5.667 -2.373 20.487 1.00 50.20 ? 131 TRP a O 1 +ATOM 25241 C CB . TRP S 1 131 ? -6.475 0.547 19.017 1.00 50.01 ? 131 TRP a CB 1 +ATOM 25242 C CG . TRP S 1 131 ? -7.118 0.330 20.361 1.00 59.84 ? 131 TRP a CG 1 +ATOM 25243 C CD1 . TRP S 1 131 ? -6.554 0.579 21.595 1.00 53.80 ? 131 TRP a CD1 1 +ATOM 25244 C CD2 . TRP S 1 131 ? -8.367 -0.328 20.623 1.00 52.09 ? 131 TRP a CD2 1 +ATOM 25245 N NE1 . TRP S 1 131 ? -7.394 0.148 22.591 1.00 55.30 ? 131 TRP a NE1 1 +ATOM 25246 C CE2 . TRP S 1 131 ? -8.505 -0.421 22.028 1.00 60.00 ? 131 TRP a CE2 1 +ATOM 25247 C CE3 . TRP S 1 131 ? -9.386 -0.831 19.809 1.00 52.75 ? 131 TRP a CE3 1 +ATOM 25248 C CZ2 . TRP S 1 131 ? -9.627 -0.977 22.630 1.00 51.96 ? 131 TRP a CZ2 1 +ATOM 25249 C CZ3 . TRP S 1 131 ? -10.485 -1.411 20.407 1.00 54.03 ? 131 TRP a CZ3 1 +ATOM 25250 C CH2 . TRP S 1 131 ? -10.602 -1.472 21.808 1.00 58.58 ? 131 TRP a CH2 1 +ATOM 25251 N N . GLU S 1 132 ? -7.040 -2.489 18.698 1.00 51.97 ? 132 GLU a N 1 +ATOM 25252 C CA . GLU S 1 132 ? -7.849 -3.578 19.217 1.00 57.38 ? 132 GLU a CA 1 +ATOM 25253 C C . GLU S 1 132 ? -6.997 -4.788 19.607 1.00 67.38 ? 132 GLU a C 1 +ATOM 25254 O O . GLU S 1 132 ? -7.151 -5.335 20.708 1.00 52.17 ? 132 GLU a O 1 +ATOM 25255 C CB . GLU S 1 132 ? -8.916 -3.951 18.183 1.00 50.43 ? 132 GLU a CB 1 +ATOM 25256 C CG . GLU S 1 132 ? -9.884 -4.981 18.698 1.00 54.31 ? 132 GLU a CG 1 +ATOM 25257 C CD . GLU S 1 132 ? -10.967 -5.338 17.712 1.00 62.18 ? 132 GLU a CD 1 +ATOM 25258 O OE1 . GLU S 1 132 ? -11.148 -4.590 16.718 1.00 60.18 ? 132 GLU a OE1 1 +ATOM 25259 O OE2 . GLU S 1 132 ? -11.626 -6.381 17.936 1.00 56.99 ? 132 GLU a OE2 1 +ATOM 25260 N N . LEU S 1 133 ? -6.092 -5.232 18.720 1.00 49.27 ? 133 LEU a N 1 +ATOM 25261 C CA . LEU S 1 133 ? -5.252 -6.370 19.095 1.00 56.49 ? 133 LEU a CA 1 +ATOM 25262 C C . LEU S 1 133 ? -4.343 -6.025 20.269 1.00 53.86 ? 133 LEU a C 1 +ATOM 25263 O O . LEU S 1 133 ? -4.078 -6.882 21.117 1.00 53.17 ? 133 LEU a O 1 +ATOM 25264 C CB . LEU S 1 133 ? -4.406 -6.861 17.923 1.00 45.11 ? 133 LEU a CB 1 +ATOM 25265 C CG . LEU S 1 133 ? -3.642 -8.170 18.196 1.00 53.42 ? 133 LEU a CG 1 +ATOM 25266 C CD1 . LEU S 1 133 ? -4.588 -9.349 18.566 1.00 43.54 ? 133 LEU a CD1 1 +ATOM 25267 C CD2 . LEU S 1 133 ? -2.755 -8.537 16.992 1.00 47.74 ? 133 LEU a CD2 1 +ATOM 25268 N N A SER S 1 134 ? -3.841 -4.778 20.320 0.40 50.32 ? 134 SER a N 1 +ATOM 25269 N N B SER S 1 134 ? -3.828 -4.795 20.322 0.60 50.29 ? 134 SER a N 1 +ATOM 25270 C CA A SER S 1 134 ? -2.957 -4.409 21.418 0.40 56.42 ? 134 SER a CA 1 +ATOM 25271 C CA B SER S 1 134 ? -2.954 -4.442 21.433 0.60 56.51 ? 134 SER a CA 1 +ATOM 25272 C C A SER S 1 134 ? -3.666 -4.594 22.758 0.40 60.90 ? 134 SER a C 1 +ATOM 25273 C C B SER S 1 134 ? -3.679 -4.610 22.764 0.60 61.09 ? 134 SER a C 1 +ATOM 25274 O O A SER S 1 134 ? -3.047 -5.010 23.745 0.40 54.03 ? 134 SER a O 1 +ATOM 25275 O O B SER S 1 134 ? -3.074 -5.003 23.765 0.60 53.98 ? 134 SER a O 1 +ATOM 25276 C CB A SER S 1 134 ? -2.474 -2.964 21.242 0.40 51.44 ? 134 SER a CB 1 +ATOM 25277 C CB B SER S 1 134 ? -2.442 -3.009 21.266 0.60 51.38 ? 134 SER a CB 1 +ATOM 25278 O OG A SER S 1 134 ? -3.457 -2.021 21.650 0.40 55.19 ? 134 SER a OG 1 +ATOM 25279 O OG B SER S 1 134 ? -3.414 -2.055 21.670 0.60 55.21 ? 134 SER a OG 1 +ATOM 25280 N N . TYR S 1 135 ? -4.985 -4.346 22.772 1.00 50.19 ? 135 TYR a N 1 +ATOM 25281 C CA . TYR S 1 135 ? -5.791 -4.493 23.972 1.00 58.80 ? 135 TYR a CA 1 +ATOM 25282 C C . TYR S 1 135 ? -6.018 -5.960 24.308 1.00 59.79 ? 135 TYR a C 1 +ATOM 25283 O O . TYR S 1 135 ? -5.944 -6.354 25.479 1.00 58.14 ? 135 TYR a O 1 +ATOM 25284 C CB . TYR S 1 135 ? -7.120 -3.765 23.758 1.00 57.25 ? 135 TYR a CB 1 +ATOM 25285 C CG . TYR S 1 135 ? -8.010 -3.629 24.968 1.00 56.04 ? 135 TYR a CG 1 +ATOM 25286 C CD1 . TYR S 1 135 ? -7.648 -2.817 26.036 1.00 58.72 ? 135 TYR a CD1 1 +ATOM 25287 C CD2 . TYR S 1 135 ? -9.234 -4.284 25.027 1.00 63.30 ? 135 TYR a CD2 1 +ATOM 25288 C CE1 . TYR S 1 135 ? -8.470 -2.681 27.143 1.00 55.69 ? 135 TYR a CE1 1 +ATOM 25289 C CE2 . TYR S 1 135 ? -10.073 -4.147 26.129 1.00 62.72 ? 135 TYR a CE2 1 +ATOM 25290 C CZ . TYR S 1 135 ? -9.678 -3.345 27.181 1.00 57.01 ? 135 TYR a CZ 1 +ATOM 25291 O OH . TYR S 1 135 ? -10.509 -3.203 28.271 1.00 63.27 ? 135 TYR a OH 1 +ATOM 25292 N N . ARG S 1 136 ? -6.290 -6.787 23.298 1.00 53.15 ? 136 ARG a N 1 +ATOM 25293 C CA . ARG S 1 136 ? -6.458 -8.211 23.543 1.00 46.68 ? 136 ARG a CA 1 +ATOM 25294 C C . ARG S 1 136 ? -5.168 -8.871 24.026 1.00 61.21 ? 136 ARG a C 1 +ATOM 25295 O O . ARG S 1 136 ? -5.228 -9.932 24.649 1.00 59.84 ? 136 ARG a O 1 +ATOM 25296 C CB . ARG S 1 136 ? -6.952 -8.940 22.280 1.00 52.71 ? 136 ARG a CB 1 +ATOM 25297 C CG . ARG S 1 136 ? -8.092 -8.287 21.473 1.00 55.56 ? 136 ARG a CG 1 +ATOM 25298 C CD . ARG S 1 136 ? -9.395 -8.119 22.240 1.00 57.21 ? 136 ARG a CD 1 +ATOM 25299 N NE . ARG S 1 136 ? -10.473 -7.713 21.344 1.00 62.44 ? 136 ARG a NE 1 +ATOM 25300 C CZ . ARG S 1 136 ? -11.463 -6.888 21.669 1.00 60.86 ? 136 ARG a CZ 1 +ATOM 25301 N NH1 . ARG S 1 136 ? -11.596 -6.415 22.896 1.00 55.51 ? 136 ARG a NH1 1 +ATOM 25302 N NH2 . ARG S 1 136 ? -12.334 -6.513 20.734 1.00 60.20 ? 136 ARG a NH2 1 +ATOM 25303 N N A LEU S 1 137 ? -4.002 -8.274 23.762 0.40 56.35 ? 137 LEU a N 1 +ATOM 25304 N N B LEU S 1 137 ? -4.005 -8.310 23.718 0.60 56.43 ? 137 LEU a N 1 +ATOM 25305 C CA A LEU S 1 137 ? -2.752 -8.923 24.132 0.40 59.44 ? 137 LEU a CA 1 +ATOM 25306 C CA B LEU S 1 137 ? -2.749 -8.947 24.087 0.60 59.55 ? 137 LEU a CA 1 +ATOM 25307 C C A LEU S 1 137 ? -2.145 -8.347 25.402 0.40 57.52 ? 137 LEU a C 1 +ATOM 25308 C C B LEU S 1 137 ? -2.156 -8.376 25.366 0.60 57.60 ? 137 LEU a C 1 +ATOM 25309 O O A LEU S 1 137 ? -1.079 -8.806 25.826 0.40 53.97 ? 137 LEU a O 1 +ATOM 25310 O O B LEU S 1 137 ? -1.091 -8.829 25.795 0.60 53.98 ? 137 LEU a O 1 +ATOM 25311 C CB A LEU S 1 137 ? -1.738 -8.836 22.979 0.40 54.57 ? 137 LEU a CB 1 +ATOM 25312 C CB B LEU S 1 137 ? -1.728 -8.831 22.942 0.60 54.50 ? 137 LEU a CB 1 +ATOM 25313 C CG A LEU S 1 137 ? -2.054 -9.587 21.673 0.40 60.19 ? 137 LEU a CG 1 +ATOM 25314 C CG B LEU S 1 137 ? -2.036 -9.603 21.649 0.60 60.34 ? 137 LEU a CG 1 +ATOM 25315 C CD1 A LEU S 1 137 ? -0.875 -9.498 20.667 0.40 52.38 ? 137 LEU a CD1 1 +ATOM 25316 C CD1 B LEU S 1 137 ? -0.857 -9.556 20.656 0.60 52.34 ? 137 LEU a CD1 1 +ATOM 25317 C CD2 A LEU S 1 137 ? -2.450 -11.047 21.896 0.40 52.39 ? 137 LEU a CD2 1 +ATOM 25318 C CD2 B LEU S 1 137 ? -2.458 -11.050 21.928 0.60 52.34 ? 137 LEU a CD2 1 +ATOM 25319 N N A GLY S 1 138 ? -2.789 -7.356 26.013 0.40 56.61 ? 138 GLY a N 1 +ATOM 25320 N N B GLY S 1 138 ? -2.818 -7.405 25.987 0.60 56.62 ? 138 GLY a N 1 +ATOM 25321 C CA A GLY S 1 138 ? -2.253 -6.739 27.211 0.40 49.59 ? 138 GLY a CA 1 +ATOM 25322 C CA B GLY S 1 138 ? -2.269 -6.778 27.174 0.60 49.45 ? 138 GLY a CA 1 +ATOM 25323 C C A GLY S 1 138 ? -1.098 -5.813 26.936 0.40 60.35 ? 138 GLY a C 1 +ATOM 25324 C C B GLY S 1 138 ? -1.110 -5.855 26.881 0.60 60.50 ? 138 GLY a C 1 +ATOM 25325 O O A GLY S 1 138 ? -0.236 -5.641 27.800 0.40 55.67 ? 138 GLY a O 1 +ATOM 25326 O O B GLY S 1 138 ? -0.230 -5.693 27.729 0.60 55.63 ? 138 GLY a O 1 +ATOM 25327 N N A MET S 1 139 ? -1.047 -5.226 25.739 0.40 61.35 ? 139 MET a N 1 +ATOM 25328 N N B MET S 1 139 ? -1.082 -5.252 25.689 0.60 61.42 ? 139 MET a N 1 +ATOM 25329 C CA A MET S 1 139 ? -0.012 -4.290 25.324 0.40 54.48 ? 139 MET a CA 1 +ATOM 25330 C CA B MET S 1 139 ? -0.048 -4.309 25.291 0.60 54.41 ? 139 MET a CA 1 +ATOM 25331 C C A MET S 1 139 ? -0.432 -2.862 25.617 0.40 55.29 ? 139 MET a C 1 +ATOM 25332 C C B MET S 1 139 ? -0.459 -2.883 25.615 0.60 55.29 ? 139 MET a C 1 +ATOM 25333 O O A MET S 1 139 ? -1.610 -2.561 25.815 0.40 55.06 ? 139 MET a O 1 +ATOM 25334 O O B MET S 1 139 ? -1.631 -2.584 25.849 0.60 55.09 ? 139 MET a O 1 +ATOM 25335 C CB A MET S 1 139 ? 0.259 -4.401 23.823 0.40 63.41 ? 139 MET a CB 1 +ATOM 25336 C CB B MET S 1 139 ? 0.232 -4.396 23.787 0.60 63.61 ? 139 MET a CB 1 +ATOM 25337 C CG A MET S 1 139 ? 0.992 -5.632 23.377 0.40 62.12 ? 139 MET a CG 1 +ATOM 25338 C CG B MET S 1 139 ? 0.918 -5.664 23.319 0.60 62.29 ? 139 MET a CG 1 +ATOM 25339 S SD A MET S 1 139 ? 0.997 -5.755 21.580 0.40 56.80 ? 139 MET a SD 1 +ATOM 25340 S SD B MET S 1 139 ? 0.951 -5.775 21.518 0.60 56.91 ? 139 MET a SD 1 +ATOM 25341 C CE A MET S 1 139 ? 1.529 -4.131 21.068 0.40 41.98 ? 139 MET a CE 1 +ATOM 25342 C CE B MET S 1 139 ? 1.634 -4.196 21.047 0.60 41.78 ? 139 MET a CE 1 +ATOM 25343 N N A ARG S 1 140 ? 0.546 -1.965 25.581 0.40 50.03 ? 140 ARG a N 1 +ATOM 25344 N N B ARG S 1 140 ? 0.522 -1.988 25.579 0.60 49.88 ? 140 ARG a N 1 +ATOM 25345 C CA A ARG S 1 140 ? 0.235 -0.551 25.591 0.40 56.54 ? 140 ARG a CA 1 +ATOM 25346 C CA B ARG S 1 140 ? 0.202 -0.573 25.568 0.60 56.59 ? 140 ARG a CA 1 +ATOM 25347 C C A ARG S 1 140 ? -0.350 -0.143 24.225 0.40 60.70 ? 140 ARG a C 1 +ATOM 25348 C C B ARG S 1 140 ? -0.376 -0.206 24.191 0.60 60.88 ? 140 ARG a C 1 +ATOM 25349 O O A ARG S 1 140 ? -0.210 -0.872 23.245 0.40 51.35 ? 140 ARG a O 1 +ATOM 25350 O O B ARG S 1 140 ? -0.235 -0.967 23.227 0.60 51.16 ? 140 ARG a O 1 +ATOM 25351 C CB A ARG S 1 140 ? 1.483 0.235 25.974 0.40 56.98 ? 140 ARG a CB 1 +ATOM 25352 C CB B ARG S 1 140 ? 1.447 0.234 25.948 0.60 57.03 ? 140 ARG a CB 1 +ATOM 25353 C CG A ARG S 1 140 ? 1.629 0.318 27.524 0.40 53.90 ? 140 ARG a CG 1 +ATOM 25354 C CG B ARG S 1 140 ? 1.659 0.231 27.487 0.60 53.81 ? 140 ARG a CG 1 +ATOM 25355 C CD A ARG S 1 140 ? 3.083 0.390 28.012 0.40 55.93 ? 140 ARG a CD 1 +ATOM 25356 C CD B ARG S 1 140 ? 3.132 0.336 27.940 0.60 55.98 ? 140 ARG a CD 1 +ATOM 25357 N NE A ARG S 1 140 ? 3.860 1.441 27.353 0.40 55.18 ? 140 ARG a NE 1 +ATOM 25358 N NE B ARG S 1 140 ? 3.883 1.405 27.278 0.60 55.23 ? 140 ARG a NE 1 +ATOM 25359 C CZ A ARG S 1 140 ? 3.872 2.719 27.707 0.40 56.96 ? 140 ARG a CZ 1 +ATOM 25360 C CZ B ARG S 1 140 ? 3.868 2.684 27.633 0.60 56.87 ? 140 ARG a CZ 1 +ATOM 25361 N NH1 A ARG S 1 140 ? 3.118 3.176 28.699 0.40 56.07 ? 140 ARG a NH1 1 +ATOM 25362 N NH1 B ARG S 1 140 ? 3.112 3.121 28.628 0.60 56.21 ? 140 ARG a NH1 1 +ATOM 25363 N NH2 A ARG S 1 140 ? 4.673 3.561 27.059 0.40 57.24 ? 140 ARG a NH2 1 +ATOM 25364 N NH2 B ARG S 1 140 ? 4.637 3.548 26.975 0.60 57.25 ? 140 ARG a NH2 1 +ATOM 25365 N N A PRO S 1 141 ? -1.090 0.977 24.154 0.40 56.25 ? 141 PRO a N 1 +ATOM 25366 N N B PRO S 1 141 ? -1.098 0.911 24.086 0.60 56.28 ? 141 PRO a N 1 +ATOM 25367 C CA A PRO S 1 141 ? -2.055 1.125 23.053 0.40 54.09 ? 141 PRO a CA 1 +ATOM 25368 C CA B PRO S 1 141 ? -2.058 1.072 22.978 0.60 54.09 ? 141 PRO a CA 1 +ATOM 25369 C C A PRO S 1 141 ? -1.607 1.882 21.810 0.40 55.06 ? 141 PRO a C 1 +ATOM 25370 C C B PRO S 1 141 ? -1.635 1.934 21.793 0.60 55.18 ? 141 PRO a C 1 +ATOM 25371 O O A PRO S 1 141 ? -2.360 1.907 20.834 0.40 55.97 ? 141 PRO a O 1 +ATOM 25372 O O B PRO S 1 141 ? -2.432 2.058 20.857 0.60 56.43 ? 141 PRO a O 1 +ATOM 25373 C CB A PRO S 1 141 ? -3.210 1.879 23.726 0.40 52.76 ? 141 PRO a CB 1 +ATOM 25374 C CB B PRO S 1 141 ? -3.239 1.737 23.698 0.60 52.56 ? 141 PRO a CB 1 +ATOM 25375 C CG A PRO S 1 141 ? -2.491 2.814 24.659 0.40 51.70 ? 141 PRO a CG 1 +ATOM 25376 C CG B PRO S 1 141 ? -2.555 2.684 24.650 0.60 51.86 ? 141 PRO a CG 1 +ATOM 25377 C CD A PRO S 1 141 ? -1.355 1.952 25.233 0.40 55.75 ? 141 PRO a CD 1 +ATOM 25378 C CD B PRO S 1 141 ? -1.312 1.934 25.130 0.60 55.73 ? 141 PRO a CD 1 +ATOM 25379 N N A TRP S 1 142 ? -0.431 2.503 21.798 0.40 52.89 ? 142 TRP a N 1 +ATOM 25380 N N B TRP S 1 142 ? -0.449 2.531 21.781 0.60 52.86 ? 142 TRP a N 1 +ATOM 25381 C CA A TRP S 1 142 ? -0.217 3.637 20.908 0.40 50.42 ? 142 TRP a CA 1 +ATOM 25382 C CA B TRP S 1 142 ? -0.218 3.683 20.918 0.60 50.27 ? 142 TRP a CA 1 +ATOM 25383 C C A TRP S 1 142 ? 0.495 3.310 19.594 0.40 53.92 ? 142 TRP a C 1 +ATOM 25384 C C B TRP S 1 142 ? 0.488 3.356 19.601 0.60 53.93 ? 142 TRP a C 1 +ATOM 25385 O O A TRP S 1 142 ? 0.930 4.236 18.904 0.40 51.39 ? 142 TRP a O 1 +ATOM 25386 O O B TRP S 1 142 ? 0.923 4.282 18.911 0.60 51.42 ? 142 TRP a O 1 +ATOM 25387 C CB A TRP S 1 142 ? 0.546 4.736 21.650 0.40 53.93 ? 142 TRP a CB 1 +ATOM 25388 C CB B TRP S 1 142 ? 0.561 4.758 21.679 0.60 53.88 ? 142 TRP a CB 1 +ATOM 25389 C CG A TRP S 1 142 ? -0.220 5.274 22.840 0.40 63.42 ? 142 TRP a CG 1 +ATOM 25390 C CG B TRP S 1 142 ? -0.202 5.307 22.863 0.60 63.64 ? 142 TRP a CG 1 +ATOM 25391 C CD1 A TRP S 1 142 ? -1.510 5.733 22.849 0.40 57.15 ? 142 TRP a CD1 1 +ATOM 25392 C CD1 B TRP S 1 142 ? -1.481 5.794 22.861 0.60 57.10 ? 142 TRP a CD1 1 +ATOM 25393 C CD2 A TRP S 1 142 ? 0.257 5.402 24.183 0.40 57.66 ? 142 TRP a CD2 1 +ATOM 25394 C CD2 B TRP S 1 142 ? 0.267 5.425 24.211 0.60 57.65 ? 142 TRP a CD2 1 +ATOM 25395 N NE1 A TRP S 1 142 ? -1.864 6.133 24.107 0.40 57.03 ? 142 TRP a NE1 1 +ATOM 25396 N NE1 B TRP S 1 142 ? -1.838 6.195 24.122 0.60 57.08 ? 142 TRP a NE1 1 +ATOM 25397 C CE2 A TRP S 1 142 ? -0.798 5.952 24.949 0.40 67.35 ? 142 TRP a CE2 1 +ATOM 25398 C CE2 B TRP S 1 142 ? -0.783 5.986 24.971 0.60 67.72 ? 142 TRP a CE2 1 +ATOM 25399 C CE3 A TRP S 1 142 ? 1.472 5.114 24.813 0.40 60.33 ? 142 TRP a CE3 1 +ATOM 25400 C CE3 B TRP S 1 142 ? 1.469 5.109 24.852 0.60 60.41 ? 142 TRP a CE3 1 +ATOM 25401 C CZ2 A TRP S 1 142 ? -0.670 6.229 26.321 0.40 59.46 ? 142 TRP a CZ2 1 +ATOM 25402 C CZ2 B TRP S 1 142 ? -0.664 6.246 26.343 0.60 59.38 ? 142 TRP a CZ2 1 +ATOM 25403 C CZ3 A TRP S 1 142 ? 1.599 5.388 26.181 0.40 59.05 ? 142 TRP a CZ3 1 +ATOM 25404 C CZ3 B TRP S 1 142 ? 1.587 5.366 26.216 0.60 59.00 ? 142 TRP a CZ3 1 +ATOM 25405 C CH2 A TRP S 1 142 ? 0.533 5.948 26.913 0.40 60.74 ? 142 TRP a CH2 1 +ATOM 25406 C CH2 B TRP S 1 142 ? 0.527 5.936 26.941 0.60 60.82 ? 142 TRP a CH2 1 +ATOM 25407 N N A ILE S 1 143 ? 0.635 2.035 19.219 0.40 55.20 ? 143 ILE a N 1 +ATOM 25408 N N B ILE S 1 143 ? 0.607 2.081 19.215 0.60 55.34 ? 143 ILE a N 1 +ATOM 25409 C CA A ILE S 1 143 ? 1.182 1.763 17.896 0.40 51.29 ? 143 ILE a CA 1 +ATOM 25410 C CA B ILE S 1 143 ? 1.156 1.797 17.890 0.60 51.22 ? 143 ILE a CA 1 +ATOM 25411 C C A ILE S 1 143 ? 0.282 2.385 16.830 0.40 55.27 ? 143 ILE a C 1 +ATOM 25412 C C B ILE S 1 143 ? 0.274 2.427 16.816 0.60 55.42 ? 143 ILE a C 1 +ATOM 25413 O O A ILE S 1 143 ? 0.767 2.925 15.830 0.40 51.19 ? 143 ILE a O 1 +ATOM 25414 O O B ILE S 1 143 ? 0.772 2.963 15.818 0.60 51.27 ? 143 ILE a O 1 +ATOM 25415 C CB A ILE S 1 143 ? 1.391 0.247 17.682 0.40 54.77 ? 143 ILE a CB 1 +ATOM 25416 C CB B ILE S 1 143 ? 1.333 0.278 17.678 0.60 54.91 ? 143 ILE a CB 1 +ATOM 25417 C CG1 A ILE S 1 143 ? 2.653 -0.230 18.423 0.40 48.30 ? 143 ILE a CG1 1 +ATOM 25418 C CG1 B ILE S 1 143 ? 2.602 -0.226 18.380 0.60 48.26 ? 143 ILE a CG1 1 +ATOM 25419 C CG2 A ILE S 1 143 ? 1.527 -0.068 16.209 0.40 48.93 ? 143 ILE a CG2 1 +ATOM 25420 C CG2 B ILE S 1 143 ? 1.415 -0.062 16.190 0.60 48.96 ? 143 ILE a CG2 1 +ATOM 25421 C CD1 A ILE S 1 143 ? 2.845 -1.750 18.452 0.40 47.39 ? 143 ILE a CD1 1 +ATOM 25422 C CD1 B ILE S 1 143 ? 2.763 -1.742 18.372 0.60 47.34 ? 143 ILE a CD1 1 +ATOM 25423 N N A CYS S 1 144 ? -1.034 2.394 17.070 0.40 48.42 ? 144 CYS a N 1 +ATOM 25424 N N B CYS S 1 144 ? -1.048 2.413 17.030 0.60 48.30 ? 144 CYS a N 1 +ATOM 25425 C CA A CYS S 1 144 ? -1.973 2.961 16.107 0.40 47.61 ? 144 CYS a CA 1 +ATOM 25426 C CA B CYS S 1 144 ? -1.979 2.988 16.065 0.60 47.50 ? 144 CYS a CA 1 +ATOM 25427 C C A CYS S 1 144 ? -1.771 4.463 15.933 0.40 57.51 ? 144 CYS a C 1 +ATOM 25428 C C B CYS S 1 144 ? -1.773 4.489 15.902 0.60 57.74 ? 144 CYS a C 1 +ATOM 25429 O O A CYS S 1 144 ? -2.077 5.013 14.869 0.40 57.36 ? 144 CYS a O 1 +ATOM 25430 O O B CYS S 1 144 ? -2.043 5.041 14.828 0.60 57.63 ? 144 CYS a O 1 +ATOM 25431 C CB A CYS S 1 144 ? -3.409 2.659 16.541 0.40 50.99 ? 144 CYS a CB 1 +ATOM 25432 C CB B CYS S 1 144 ? -3.420 2.697 16.485 0.60 51.00 ? 144 CYS a CB 1 +ATOM 25433 S SG A CYS S 1 144 ? -3.962 3.577 18.013 0.40 53.87 ? 144 CYS a SG 1 +ATOM 25434 S SG B CYS S 1 144 ? -3.955 3.523 18.018 0.60 53.87 ? 144 CYS a SG 1 +ATOM 25435 N N A VAL S 1 145 ? -1.239 5.135 16.952 0.40 52.72 ? 145 VAL a N 1 +ATOM 25436 N N B VAL S 1 145 ? -1.299 5.163 16.950 0.60 52.77 ? 145 VAL a N 1 +ATOM 25437 C CA A VAL S 1 145 ? -0.973 6.564 16.854 0.40 49.06 ? 145 VAL a CA 1 +ATOM 25438 C CA B VAL S 1 145 ? -1.007 6.588 16.857 0.60 48.97 ? 145 VAL a CA 1 +ATOM 25439 C C A VAL S 1 145 ? 0.169 6.831 15.883 0.40 48.42 ? 145 VAL a C 1 +ATOM 25440 C C B VAL S 1 145 ? 0.124 6.832 15.872 0.60 48.34 ? 145 VAL a C 1 +ATOM 25441 O O A VAL S 1 145 ? 0.170 7.837 15.157 0.40 50.41 ? 145 VAL a O 1 +ATOM 25442 O O B VAL S 1 145 ? 0.132 7.831 15.141 0.60 50.55 ? 145 VAL a O 1 +ATOM 25443 C CB A VAL S 1 145 ? -0.670 7.135 18.255 0.40 59.20 ? 145 VAL a CB 1 +ATOM 25444 C CB B VAL S 1 145 ? -0.665 7.156 18.251 0.60 59.40 ? 145 VAL a CB 1 +ATOM 25445 C CG1 A VAL S 1 145 ? -0.244 8.597 18.168 0.40 50.46 ? 145 VAL a CG1 1 +ATOM 25446 C CG1 B VAL S 1 145 ? -0.302 8.640 18.152 0.60 50.32 ? 145 VAL a CG1 1 +ATOM 25447 C CG2 A VAL S 1 145 ? -1.872 6.967 19.167 0.40 55.21 ? 145 VAL a CG2 1 +ATOM 25448 C CG2 B VAL S 1 145 ? -1.814 6.940 19.220 0.60 55.17 ? 145 VAL a CG2 1 +ATOM 25449 N N A ALA S 1 146 ? 1.171 5.959 15.871 0.40 48.83 ? 146 ALA a N 1 +ATOM 25450 N N B ALA S 1 146 ? 1.110 5.938 15.852 0.60 48.70 ? 146 ALA a N 1 +ATOM 25451 C CA A ALA S 1 146 ? 2.253 6.115 14.902 0.40 50.67 ? 146 ALA a CA 1 +ATOM 25452 C CA B ALA S 1 146 ? 2.211 6.088 14.905 0.60 50.74 ? 146 ALA a CA 1 +ATOM 25453 C C A ALA S 1 146 ? 1.756 5.867 13.480 0.40 51.06 ? 146 ALA a C 1 +ATOM 25454 C C B ALA S 1 146 ? 1.729 5.869 13.476 0.60 51.12 ? 146 ALA a C 1 +ATOM 25455 O O A ALA S 1 146 ? 2.198 6.530 12.537 0.40 48.32 ? 146 ALA a O 1 +ATOM 25456 O O B ALA S 1 146 ? 2.150 6.575 12.554 0.60 48.31 ? 146 ALA a O 1 +ATOM 25457 C CB A ALA S 1 146 ? 3.411 5.172 15.242 0.40 48.22 ? 146 ALA a CB 1 +ATOM 25458 C CB B ALA S 1 146 ? 3.338 5.115 15.260 0.60 48.17 ? 146 ALA a CB 1 +ATOM 25459 N N A TYR S 1 147 ? 0.840 4.909 13.307 0.40 50.46 ? 147 TYR a N 1 +ATOM 25460 N N B TYR S 1 147 ? 0.845 4.891 13.277 0.60 50.48 ? 147 TYR a N 1 +ATOM 25461 C CA A TYR S 1 147 ? 0.272 4.650 11.992 0.40 48.03 ? 147 TYR a CA 1 +ATOM 25462 C CA B TYR S 1 147 ? 0.274 4.650 11.963 0.60 47.95 ? 147 TYR a CA 1 +ATOM 25463 C C A TYR S 1 147 ? -0.616 5.791 11.523 0.40 56.49 ? 147 TYR a C 1 +ATOM 25464 C C B TYR S 1 147 ? -0.613 5.805 11.507 0.60 56.71 ? 147 TYR a C 1 +ATOM 25465 O O A TYR S 1 147 ? -0.824 5.944 10.309 0.40 51.27 ? 147 TYR a O 1 +ATOM 25466 O O B TYR S 1 147 ? -0.826 5.972 10.299 0.60 51.37 ? 147 TYR a O 1 +ATOM 25467 C CB A TYR S 1 147 ? -0.514 3.335 12.017 0.40 50.61 ? 147 TYR a CB 1 +ATOM 25468 C CB B TYR S 1 147 ? -0.505 3.336 11.989 0.60 50.66 ? 147 TYR a CB 1 +ATOM 25469 C CG A TYR S 1 147 ? -1.188 2.975 10.702 0.40 55.95 ? 147 TYR a CG 1 +ATOM 25470 C CG B TYR S 1 147 ? -1.188 2.973 10.686 0.60 56.17 ? 147 TYR a CG 1 +ATOM 25471 C CD1 A TYR S 1 147 ? -0.437 2.624 9.573 0.40 50.11 ? 147 TYR a CD1 1 +ATOM 25472 C CD1 B TYR S 1 147 ? -0.448 2.668 9.537 0.60 50.16 ? 147 TYR a CD1 1 +ATOM 25473 C CD2 A TYR S 1 147 ? -2.575 2.974 10.592 0.40 49.85 ? 147 TYR a CD2 1 +ATOM 25474 C CD2 B TYR S 1 147 ? -2.573 2.913 10.605 0.60 49.93 ? 147 TYR a CD2 1 +ATOM 25475 C CE1 A TYR S 1 147 ? -1.069 2.282 8.362 0.40 50.14 ? 147 TYR a CE1 1 +ATOM 25476 C CE1 B TYR S 1 147 ? -1.082 2.329 8.348 0.60 50.13 ? 147 TYR a CE1 1 +ATOM 25477 C CE2 A TYR S 1 147 ? -3.210 2.631 9.396 0.40 44.35 ? 147 TYR a CE2 1 +ATOM 25478 C CE2 B TYR S 1 147 ? -3.210 2.574 9.419 0.60 44.31 ? 147 TYR a CE2 1 +ATOM 25479 C CZ A TYR S 1 147 ? -2.457 2.289 8.287 0.40 49.05 ? 147 TYR a CZ 1 +ATOM 25480 C CZ B TYR S 1 147 ? -2.465 2.284 8.299 0.60 49.10 ? 147 TYR a CZ 1 +ATOM 25481 O OH A TYR S 1 147 ? -3.115 1.936 7.120 0.40 50.01 ? 147 TYR a OH 1 +ATOM 25482 O OH B TYR S 1 147 ? -3.118 1.927 7.136 0.60 50.11 ? 147 TYR a OH 1 +ATOM 25483 N N . SER S 1 148 ? -1.129 6.608 12.443 1.00 44.79 ? 148 SER a N 1 +ATOM 25484 C CA . SER S 1 148 ? -1.956 7.736 12.050 1.00 55.12 ? 148 SER a CA 1 +ATOM 25485 C C . SER S 1 148 ? -1.205 8.731 11.172 1.00 51.58 ? 148 SER a C 1 +ATOM 25486 O O . SER S 1 148 ? -1.851 9.485 10.435 1.00 49.94 ? 148 SER a O 1 +ATOM 25487 C CB . SER S 1 148 ? -2.505 8.465 13.284 1.00 50.18 ? 148 SER a CB 1 +ATOM 25488 O OG . SER S 1 148 ? -1.536 9.350 13.805 1.00 55.07 ? 148 SER a OG 1 +ATOM 25489 N N A ALA S 1 149 ? 0.139 8.745 11.223 0.40 44.66 ? 149 ALA a N 1 +ATOM 25490 N N B ALA S 1 149 ? 0.134 8.756 11.226 0.60 44.55 ? 149 ALA a N 1 +ATOM 25491 C CA A ALA S 1 149 ? 0.870 9.682 10.366 0.40 47.43 ? 149 ALA a CA 1 +ATOM 25492 C CA B ALA S 1 149 ? 0.865 9.696 10.376 0.60 47.36 ? 149 ALA a CA 1 +ATOM 25493 C C A ALA S 1 149 ? 0.777 9.303 8.887 0.40 52.11 ? 149 ALA a C 1 +ATOM 25494 C C B ALA S 1 149 ? 0.767 9.323 8.897 0.60 52.25 ? 149 ALA a C 1 +ATOM 25495 O O A ALA S 1 149 ? 0.436 10.179 8.074 0.40 48.98 ? 149 ALA a O 1 +ATOM 25496 O O B ALA S 1 149 ? 0.403 10.196 8.089 0.60 48.93 ? 149 ALA a O 1 +ATOM 25497 C CB A ALA S 1 149 ? 2.325 9.809 10.831 0.40 44.08 ? 149 ALA a CB 1 +ATOM 25498 C CB B ALA S 1 149 ? 2.316 9.821 10.850 0.60 44.02 ? 149 ALA a CB 1 +ATOM 25499 N N A PRO S 1 150 ? 1.084 8.064 8.458 0.40 49.78 ? 150 PRO a N 1 +ATOM 25500 N N B PRO S 1 150 ? 1.078 8.087 8.465 0.60 49.84 ? 150 PRO a N 1 +ATOM 25501 C CA A PRO S 1 150 ? 0.835 7.727 7.039 0.40 48.16 ? 150 PRO a CA 1 +ATOM 25502 C CA B PRO S 1 150 ? 0.842 7.754 7.049 0.60 48.17 ? 150 PRO a CA 1 +ATOM 25503 C C A PRO S 1 150 ? -0.640 7.756 6.672 0.40 50.32 ? 150 PRO a C 1 +ATOM 25504 C C B PRO S 1 150 ? -0.631 7.742 6.673 0.60 50.43 ? 150 PRO a C 1 +ATOM 25505 O O A PRO S 1 150 ? -0.994 8.190 5.568 0.40 49.91 ? 150 PRO a O 1 +ATOM 25506 O O B PRO S 1 150 ? -0.972 8.129 5.548 0.60 50.02 ? 150 PRO a O 1 +ATOM 25507 C CB A PRO S 1 150 ? 1.445 6.323 6.884 0.40 48.68 ? 150 PRO a CB 1 +ATOM 25508 C CB B PRO S 1 150 ? 1.487 6.365 6.887 0.60 48.72 ? 150 PRO a CB 1 +ATOM 25509 C CG A PRO S 1 150 ? 1.638 5.809 8.275 0.40 48.29 ? 150 PRO a CG 1 +ATOM 25510 C CG B PRO S 1 150 ? 1.622 5.827 8.264 0.60 48.29 ? 150 PRO a CG 1 +ATOM 25511 C CD A PRO S 1 150 ? 1.867 7.009 9.137 0.40 44.88 ? 150 PRO a CD 1 +ATOM 25512 C CD B PRO S 1 150 ? 1.826 7.013 9.155 0.60 44.77 ? 150 PRO a CD 1 +ATOM 25513 N N . LEU S 1 151 ? -1.517 7.329 7.582 1.00 48.15 ? 151 LEU a N 1 +ATOM 25514 C CA . LEU S 1 151 ? -2.941 7.331 7.273 1.00 50.60 ? 151 LEU a CA 1 +ATOM 25515 C C . LEU S 1 151 ? -3.457 8.751 7.015 1.00 53.86 ? 151 LEU a C 1 +ATOM 25516 O O . LEU S 1 151 ? -4.224 8.977 6.064 1.00 51.96 ? 151 LEU a O 1 +ATOM 25517 C CB . LEU S 1 151 ? -3.724 6.647 8.400 1.00 51.15 ? 151 LEU a CB 1 +ATOM 25518 C CG . LEU S 1 151 ? -5.241 6.673 8.182 1.00 48.82 ? 151 LEU a CG 1 +ATOM 25519 C CD1 . LEU S 1 151 ? -5.588 5.923 6.890 1.00 45.35 ? 151 LEU a CD1 1 +ATOM 25520 C CD2 . LEU S 1 151 ? -6.030 6.147 9.375 1.00 45.69 ? 151 LEU a CD2 1 +ATOM 25521 N N A ALA S 1 152 ? -3.041 9.722 7.846 0.40 47.80 ? 152 ALA a N 1 +ATOM 25522 N N B ALA S 1 152 ? -3.048 9.722 7.841 0.60 47.73 ? 152 ALA a N 1 +ATOM 25523 C CA A ALA S 1 152 ? -3.471 11.097 7.627 0.40 54.46 ? 152 ALA a CA 1 +ATOM 25524 C CA B ALA S 1 152 ? -3.459 11.100 7.590 0.60 54.53 ? 152 ALA a CA 1 +ATOM 25525 C C A ALA S 1 152 ? -2.946 11.618 6.299 0.40 51.88 ? 152 ALA a C 1 +ATOM 25526 C C B ALA S 1 152 ? -2.912 11.601 6.262 0.60 51.95 ? 152 ALA a C 1 +ATOM 25527 O O A ALA S 1 152 ? -3.584 12.462 5.666 0.40 49.55 ? 152 ALA a O 1 +ATOM 25528 O O B ALA S 1 152 ? -3.561 12.403 5.587 0.60 49.62 ? 152 ALA a O 1 +ATOM 25529 C CB A ALA S 1 152 ? -3.016 12.003 8.783 0.40 48.04 ? 152 ALA a CB 1 +ATOM 25530 C CB B ALA S 1 152 ? -3.010 12.022 8.734 0.60 47.97 ? 152 ALA a CB 1 +ATOM 25531 N N A SER S 1 153 ? -1.788 11.116 5.867 0.40 49.64 ? 153 SER a N 1 +ATOM 25532 N N B SER S 1 153 ? -1.724 11.139 5.873 0.60 49.66 ? 153 SER a N 1 +ATOM 25533 C CA A SER S 1 153 ? -1.227 11.510 4.585 0.40 51.44 ? 153 SER a CA 1 +ATOM 25534 C CA B SER S 1 153 ? -1.173 11.510 4.576 0.60 51.56 ? 153 SER a CA 1 +ATOM 25535 C C A SER S 1 153 ? -2.053 10.960 3.425 0.40 50.87 ? 153 SER a C 1 +ATOM 25536 C C B SER S 1 153 ? -2.016 10.953 3.430 0.60 50.98 ? 153 SER a C 1 +ATOM 25537 O O A SER S 1 153 ? -2.279 11.665 2.436 0.40 52.17 ? 153 SER a O 1 +ATOM 25538 O O B SER S 1 153 ? -2.224 11.633 2.421 0.60 52.40 ? 153 SER a O 1 +ATOM 25539 C CB A SER S 1 153 ? 0.224 11.038 4.493 0.40 50.55 ? 153 SER a CB 1 +ATOM 25540 C CB B SER S 1 153 ? 0.267 11.020 4.472 0.60 50.57 ? 153 SER a CB 1 +ATOM 25541 O OG A SER S 1 153 ? 1.011 11.641 5.509 0.40 48.56 ? 153 SER a OG 1 +ATOM 25542 O OG B SER S 1 153 ? 1.074 11.614 5.467 0.60 48.58 ? 153 SER a OG 1 +ATOM 25543 N N A ALA S 1 154 ? -2.506 9.702 3.523 0.40 49.84 ? 154 ALA a N 1 +ATOM 25544 N N B ALA S 1 154 ? -2.503 9.720 3.563 0.60 49.98 ? 154 ALA a N 1 +ATOM 25545 C CA A ALA S 1 154 ? -3.392 9.160 2.499 0.40 48.22 ? 154 ALA a CA 1 +ATOM 25546 C CA B ALA S 1 154 ? -3.385 9.165 2.543 0.60 48.27 ? 154 ALA a CA 1 +ATOM 25547 C C A ALA S 1 154 ? -4.679 9.976 2.400 0.40 45.57 ? 154 ALA a C 1 +ATOM 25548 C C B ALA S 1 154 ? -4.677 9.967 2.440 0.60 45.45 ? 154 ALA a C 1 +ATOM 25549 O O A ALA S 1 154 ? -5.135 10.305 1.297 0.40 51.31 ? 154 ALA a O 1 +ATOM 25550 O O B ALA S 1 154 ? -5.157 10.255 1.334 0.60 51.63 ? 154 ALA a O 1 +ATOM 25551 C CB A ALA S 1 154 ? -3.696 7.685 2.786 0.40 41.53 ? 154 ALA a CB 1 +ATOM 25552 C CB B ALA S 1 154 ? -3.682 7.696 2.851 0.60 41.39 ? 154 ALA a CB 1 +ATOM 25553 N N A PHE S 1 155 ? -5.271 10.326 3.547 0.40 48.25 ? 155 PHE a N 1 +ATOM 25554 N N B PHE S 1 155 ? -5.247 10.349 3.583 0.60 48.33 ? 155 PHE a N 1 +ATOM 25555 C CA A PHE S 1 155 ? -6.473 11.157 3.548 0.40 45.93 ? 155 PHE a CA 1 +ATOM 25556 C CA B PHE S 1 155 ? -6.455 11.168 3.583 0.60 45.83 ? 155 PHE a CA 1 +ATOM 25557 C C A PHE S 1 155 ? -6.217 12.498 2.884 0.40 51.24 ? 155 PHE a C 1 +ATOM 25558 C C B PHE S 1 155 ? -6.215 12.516 2.929 0.60 51.34 ? 155 PHE a C 1 +ATOM 25559 O O A PHE S 1 155 ? -7.109 13.063 2.235 0.40 50.45 ? 155 PHE a O 1 +ATOM 25560 O O B PHE S 1 155 ? -7.126 13.083 2.311 0.60 50.61 ? 155 PHE a O 1 +ATOM 25561 C CB A PHE S 1 155 ? -6.969 11.387 4.977 0.40 51.30 ? 155 PHE a CB 1 +ATOM 25562 C CB B PHE S 1 155 ? -6.955 11.377 5.012 0.60 51.29 ? 155 PHE a CB 1 +ATOM 25563 C CG A PHE S 1 155 ? -7.973 10.374 5.440 0.40 53.44 ? 155 PHE a CG 1 +ATOM 25564 C CG B PHE S 1 155 ? -7.936 10.352 5.462 0.60 53.51 ? 155 PHE a CG 1 +ATOM 25565 C CD1 A PHE S 1 155 ? -9.332 10.550 5.185 0.40 50.58 ? 155 PHE a CD1 1 +ATOM 25566 C CD1 B PHE S 1 155 ? -9.291 10.511 5.204 0.60 50.59 ? 155 PHE a CD1 1 +ATOM 25567 C CD2 A PHE S 1 155 ? -7.563 9.239 6.120 0.40 50.05 ? 155 PHE a CD2 1 +ATOM 25568 C CD2 B PHE S 1 155 ? -7.509 9.219 6.144 0.60 49.87 ? 155 PHE a CD2 1 +ATOM 25569 C CE1 A PHE S 1 155 ? -10.272 9.593 5.611 0.40 57.44 ? 155 PHE a CE1 1 +ATOM 25570 C CE1 B PHE S 1 155 ? -10.211 9.547 5.620 0.60 57.45 ? 155 PHE a CE1 1 +ATOM 25571 C CE2 A PHE S 1 155 ? -8.491 8.284 6.546 0.40 55.89 ? 155 PHE a CE2 1 +ATOM 25572 C CE2 B PHE S 1 155 ? -8.423 8.262 6.567 0.60 55.96 ? 155 PHE a CE2 1 +ATOM 25573 C CZ A PHE S 1 155 ? -9.844 8.461 6.294 0.40 51.69 ? 155 PHE a CZ 1 +ATOM 25574 C CZ B PHE S 1 155 ? -9.774 8.428 6.305 0.60 51.63 ? 155 PHE a CZ 1 +ATOM 25575 N N A ALA S 1 156 ? -5.009 13.033 3.052 0.40 47.79 ? 156 ALA a N 1 +ATOM 25576 N N B ALA S 1 156 ? -5.002 13.051 3.062 0.60 47.76 ? 156 ALA a N 1 +ATOM 25577 C CA A ALA S 1 156 ? -4.736 14.364 2.545 0.40 45.83 ? 156 ALA a CA 1 +ATOM 25578 C CA B ALA S 1 156 ? -4.748 14.389 2.560 0.60 45.75 ? 156 ALA a CA 1 +ATOM 25579 C C A ALA S 1 156 ? -4.767 14.371 1.024 0.40 50.65 ? 156 ALA a C 1 +ATOM 25580 C C B ALA S 1 156 ? -4.736 14.402 1.037 0.60 50.85 ? 156 ALA a C 1 +ATOM 25581 O O A ALA S 1 156 ? -5.410 15.234 0.412 0.40 48.32 ? 156 ALA a O 1 +ATOM 25582 O O B ALA S 1 156 ? -5.334 15.290 0.414 0.60 48.31 ? 156 ALA a O 1 +ATOM 25583 C CB A ALA S 1 156 ? -3.396 14.862 3.082 0.40 43.58 ? 156 ALA a CB 1 +ATOM 25584 C CB B ALA S 1 156 ? -3.433 14.922 3.127 0.60 43.40 ? 156 ALA a CB 1 +ATOM 25585 N N A VAL S 1 157 ? -4.111 13.394 0.395 0.40 45.95 ? 157 VAL a N 1 +ATOM 25586 N N B VAL S 1 157 ? -4.088 13.412 0.417 0.60 45.88 ? 157 VAL a N 1 +ATOM 25587 C CA A VAL S 1 157 ? -3.999 13.422 -1.061 0.40 47.36 ? 157 VAL a CA 1 +ATOM 25588 C CA B VAL S 1 157 ? -3.950 13.442 -1.037 0.60 47.38 ? 157 VAL a CA 1 +ATOM 25589 C C A VAL S 1 157 ? -5.211 12.822 -1.766 0.40 47.20 ? 157 VAL a C 1 +ATOM 25590 C C B VAL S 1 157 ? -5.137 12.817 -1.763 0.60 47.24 ? 157 VAL a C 1 +ATOM 25591 O O A VAL S 1 157 ? -5.455 13.156 -2.931 0.40 51.00 ? 157 VAL a O 1 +ATOM 25592 O O B VAL S 1 157 ? -5.334 13.100 -2.949 0.60 51.19 ? 157 VAL a O 1 +ATOM 25593 C CB A VAL S 1 157 ? -2.703 12.732 -1.530 0.40 47.19 ? 157 VAL a CB 1 +ATOM 25594 C CB B VAL S 1 157 ? -2.646 12.760 -1.487 0.60 47.33 ? 157 VAL a CB 1 +ATOM 25595 C CG1 A VAL S 1 157 ? -1.464 13.516 -1.002 0.40 42.96 ? 157 VAL a CG1 1 +ATOM 25596 C CG1 B VAL S 1 157 ? -1.428 13.468 -0.857 0.60 42.49 ? 157 VAL a CG1 1 +ATOM 25597 C CG2 A VAL S 1 157 ? -2.676 11.245 -1.072 0.40 44.98 ? 157 VAL a CG2 1 +ATOM 25598 C CG2 B VAL S 1 157 ? -2.669 11.232 -1.176 0.60 44.94 ? 157 VAL a CG2 1 +ATOM 25599 N N A PHE S 1 158 ? -5.997 11.982 -1.091 0.40 45.94 ? 158 PHE a N 1 +ATOM 25600 N N B PHE S 1 158 ? -5.943 11.994 -1.090 0.60 46.00 ? 158 PHE a N 1 +ATOM 25601 C CA A PHE S 1 158 ? -7.131 11.321 -1.724 0.40 46.68 ? 158 PHE a CA 1 +ATOM 25602 C CA B PHE S 1 158 ? -7.068 11.332 -1.739 0.60 46.61 ? 158 PHE a CA 1 +ATOM 25603 C C A PHE S 1 158 ? -8.481 11.950 -1.391 0.40 48.00 ? 158 PHE a C 1 +ATOM 25604 C C B PHE S 1 158 ? -8.413 11.967 -1.424 0.60 48.04 ? 158 PHE a C 1 +ATOM 25605 O O A PHE S 1 158 ? -9.445 11.720 -2.130 0.40 50.65 ? 158 PHE a O 1 +ATOM 25606 O O B PHE S 1 158 ? -9.371 11.745 -2.174 0.60 50.84 ? 158 PHE a O 1 +ATOM 25607 C CB A PHE S 1 158 ? -7.183 9.838 -1.313 0.40 47.76 ? 158 PHE a CB 1 +ATOM 25608 C CB B PHE S 1 158 ? -7.132 9.850 -1.331 0.60 47.79 ? 158 PHE a CB 1 +ATOM 25609 C CG A PHE S 1 158 ? -6.059 9.016 -1.859 0.40 47.55 ? 158 PHE a CG 1 +ATOM 25610 C CG B PHE S 1 158 ? -6.016 9.018 -1.883 0.60 47.61 ? 158 PHE a CG 1 +ATOM 25611 C CD1 A PHE S 1 158 ? -5.601 9.223 -3.159 0.40 45.49 ? 158 PHE a CD1 1 +ATOM 25612 C CD1 B PHE S 1 158 ? -5.581 9.197 -3.186 0.60 45.44 ? 158 PHE a CD1 1 +ATOM 25613 C CD2 A PHE S 1 158 ? -5.445 8.045 -1.074 0.40 45.86 ? 158 PHE a CD2 1 +ATOM 25614 C CD2 B PHE S 1 158 ? -5.391 8.058 -1.094 0.60 45.86 ? 158 PHE a CD2 1 +ATOM 25615 C CE1 A PHE S 1 158 ? -4.558 8.472 -3.665 0.40 48.72 ? 158 PHE a CE1 1 +ATOM 25616 C CE1 B PHE S 1 158 ? -4.545 8.431 -3.695 0.60 48.84 ? 158 PHE a CE1 1 +ATOM 25617 C CE2 A PHE S 1 158 ? -4.400 7.277 -1.576 0.40 47.41 ? 158 PHE a CE2 1 +ATOM 25618 C CE2 B PHE S 1 158 ? -4.354 7.285 -1.593 0.60 47.45 ? 158 PHE a CE2 1 +ATOM 25619 C CZ A PHE S 1 158 ? -3.958 7.486 -2.880 0.40 47.61 ? 158 PHE a CZ 1 +ATOM 25620 C CZ B PHE S 1 158 ? -3.931 7.467 -2.904 0.60 47.58 ? 158 PHE a CZ 1 +ATOM 25621 N N A LEU S 1 159 ? -8.584 12.707 -0.298 0.40 44.79 ? 159 LEU a N 1 +ATOM 25622 N N B LEU S 1 159 ? -8.517 12.726 -0.334 0.60 44.75 ? 159 LEU a N 1 +ATOM 25623 C CA A LEU S 1 159 ? -9.871 13.238 0.147 0.40 48.47 ? 159 LEU a CA 1 +ATOM 25624 C CA B LEU S 1 159 ? -9.819 13.211 0.102 0.60 48.40 ? 159 LEU a CA 1 +ATOM 25625 C C A LEU S 1 159 ? -9.825 14.729 0.468 0.40 48.78 ? 159 LEU a C 1 +ATOM 25626 C C B LEU S 1 159 ? -9.795 14.699 0.445 0.60 48.76 ? 159 LEU a C 1 +ATOM 25627 O O A LEU S 1 159 ? -10.652 15.498 -0.030 0.40 50.42 ? 159 LEU a O 1 +ATOM 25628 O O B LEU S 1 159 ? -10.615 15.466 -0.068 0.60 50.51 ? 159 LEU a O 1 +ATOM 25629 C CB A LEU S 1 159 ? -10.369 12.477 1.377 0.40 45.04 ? 159 LEU a CB 1 +ATOM 25630 C CB B LEU S 1 159 ? -10.313 12.405 1.307 0.60 44.79 ? 159 LEU a CB 1 +ATOM 25631 C CG A LEU S 1 159 ? -11.792 12.807 1.843 0.40 58.11 ? 159 LEU a CG 1 +ATOM 25632 C CG B LEU S 1 159 ? -11.721 12.769 1.796 0.60 58.25 ? 159 LEU a CG 1 +ATOM 25633 C CD1 A LEU S 1 159 ? -12.825 12.468 0.751 0.40 56.93 ? 159 LEU a CD1 1 +ATOM 25634 C CD1 B LEU S 1 159 ? -12.782 12.389 0.757 0.60 56.99 ? 159 LEU a CD1 1 +ATOM 25635 C CD2 A LEU S 1 159 ? -12.128 12.096 3.153 0.40 59.69 ? 159 LEU a CD2 1 +ATOM 25636 C CD2 B LEU S 1 159 ? -12.039 12.148 3.162 0.60 59.72 ? 159 LEU a CD2 1 +ATOM 25637 N N A ILE S 1 160 ? -8.881 15.159 1.304 0.40 52.36 ? 160 ILE a N 1 +ATOM 25638 N N B ILE S 1 160 ? -8.873 15.123 1.309 0.60 52.39 ? 160 ILE a N 1 +ATOM 25639 C CA A ILE S 1 160 ? -8.921 16.537 1.787 0.40 53.98 ? 160 ILE a CA 1 +ATOM 25640 C CA B ILE S 1 160 ? -8.908 16.504 1.791 0.60 54.08 ? 160 ILE a CA 1 +ATOM 25641 C C A ILE S 1 160 ? -8.564 17.510 0.667 0.40 55.32 ? 160 ILE a C 1 +ATOM 25642 C C B ILE S 1 160 ? -8.559 17.476 0.669 0.60 55.51 ? 160 ILE a C 1 +ATOM 25643 O O A ILE S 1 160 ? -9.223 18.546 0.491 0.40 51.29 ? 160 ILE a O 1 +ATOM 25644 O O B ILE S 1 160 ? -9.231 18.502 0.479 0.60 51.45 ? 160 ILE a O 1 +ATOM 25645 C CB A ILE S 1 160 ? -8.000 16.732 3.008 0.40 50.64 ? 160 ILE a CB 1 +ATOM 25646 C CB B ILE S 1 160 ? -7.970 16.695 2.998 0.60 50.62 ? 160 ILE a CB 1 +ATOM 25647 C CG1 A ILE S 1 160 ? -8.324 15.733 4.132 0.40 51.95 ? 160 ILE a CG1 1 +ATOM 25648 C CG1 B ILE S 1 160 ? -8.289 15.712 4.133 0.60 51.94 ? 160 ILE a CG1 1 +ATOM 25649 C CG2 A ILE S 1 160 ? -8.083 18.191 3.484 0.40 54.24 ? 160 ILE a CG2 1 +ATOM 25650 C CG2 B ILE S 1 160 ? -8.028 18.149 3.464 0.60 54.33 ? 160 ILE a CG2 1 +ATOM 25651 C CD1 A ILE S 1 160 ? -9.808 15.611 4.484 0.40 51.49 ? 160 ILE a CD1 1 +ATOM 25652 C CD1 B ILE S 1 160 ? -9.770 15.619 4.503 0.60 51.53 ? 160 ILE a CD1 1 +ATOM 25653 N N A TYR S 1 161 ? -7.502 17.218 -0.088 0.40 48.31 ? 161 TYR a N 1 +ATOM 25654 N N B TYR S 1 161 ? -7.479 17.199 -0.064 0.60 48.28 ? 161 TYR a N 1 +ATOM 25655 C CA A TYR S 1 161 ? -7.159 18.124 -1.183 0.40 49.02 ? 161 TYR a CA 1 +ATOM 25656 C CA B TYR S 1 161 ? -7.119 18.096 -1.161 0.60 49.07 ? 161 TYR a CA 1 +ATOM 25657 C C A TYR S 1 161 ? -8.277 18.185 -2.219 0.40 49.12 ? 161 TYR a C 1 +ATOM 25658 C C B TYR S 1 161 ? -8.234 18.193 -2.196 0.60 49.20 ? 161 TYR a C 1 +ATOM 25659 O O A TYR S 1 161 ? -8.668 19.298 -2.599 0.40 48.85 ? 161 TYR a O 1 +ATOM 25660 O O B TYR S 1 161 ? -8.601 19.321 -2.568 0.60 48.87 ? 161 TYR a O 1 +ATOM 25661 C CB A TYR S 1 161 ? -5.804 17.749 -1.799 0.40 45.45 ? 161 TYR a CB 1 +ATOM 25662 C CB B TYR S 1 161 ? -5.786 17.674 -1.795 0.60 45.29 ? 161 TYR a CB 1 +ATOM 25663 C CG A TYR S 1 161 ? -5.311 18.807 -2.771 0.40 53.67 ? 161 TYR a CG 1 +ATOM 25664 C CG B TYR S 1 161 ? -5.270 18.727 -2.755 0.60 53.84 ? 161 TYR a CG 1 +ATOM 25665 C CD1 A TYR S 1 161 ? -4.873 20.038 -2.306 0.40 46.93 ? 161 TYR a CD1 1 +ATOM 25666 C CD1 B TYR S 1 161 ? -4.878 19.972 -2.284 0.60 46.73 ? 161 TYR a CD1 1 +ATOM 25667 C CD2 A TYR S 1 161 ? -5.313 18.585 -4.167 0.40 48.57 ? 161 TYR a CD2 1 +ATOM 25668 C CD2 B TYR S 1 161 ? -5.210 18.493 -4.141 0.60 48.42 ? 161 TYR a CD2 1 +ATOM 25669 C CE1 A TYR S 1 161 ? -4.433 21.029 -3.183 0.40 50.25 ? 161 TYR a CE1 1 +ATOM 25670 C CE1 B TYR S 1 161 ? -4.425 20.961 -3.147 0.60 50.30 ? 161 TYR a CE1 1 +ATOM 25671 C CE2 A TYR S 1 161 ? -4.872 19.582 -5.055 0.40 47.48 ? 161 TYR a CE2 1 +ATOM 25672 C CE2 B TYR S 1 161 ? -4.751 19.484 -5.019 0.60 47.27 ? 161 TYR a CE2 1 +ATOM 25673 C CZ A TYR S 1 161 ? -4.436 20.794 -4.561 0.40 52.69 ? 161 TYR a CZ 1 +ATOM 25674 C CZ B TYR S 1 161 ? -4.362 20.713 -4.516 0.60 52.94 ? 161 TYR a CZ 1 +ATOM 25675 O OH A TYR S 1 161 ? -4.001 21.789 -5.427 0.40 49.23 ? 161 TYR a OH 1 +ATOM 25676 O OH B TYR S 1 161 ? -3.910 21.707 -5.357 0.60 49.37 ? 161 TYR a OH 1 +ATOM 25677 N N A PRO S 1 162 ? -8.861 17.074 -2.673 0.40 44.50 ? 162 PRO a N 1 +ATOM 25678 N N B PRO S 1 162 ? -8.829 17.094 -2.676 0.60 44.40 ? 162 PRO a N 1 +ATOM 25679 C CA A PRO S 1 162 ? -10.068 17.184 -3.506 0.40 45.55 ? 162 PRO a CA 1 +ATOM 25680 C CA B PRO S 1 162 ? -10.008 17.230 -3.543 0.60 45.39 ? 162 PRO a CA 1 +ATOM 25681 C C A PRO S 1 162 ? -11.175 18.031 -2.897 0.40 48.46 ? 162 PRO a C 1 +ATOM 25682 C C B PRO S 1 162 ? -11.126 18.068 -2.948 0.60 48.41 ? 162 PRO a C 1 +ATOM 25683 O O A PRO S 1 162 ? -11.847 18.758 -3.636 0.40 49.49 ? 162 PRO a O 1 +ATOM 25684 O O B PRO S 1 162 ? -11.781 18.812 -3.688 0.60 49.51 ? 162 PRO a O 1 +ATOM 25685 C CB A PRO S 1 162 ? -10.513 15.720 -3.674 0.40 43.86 ? 162 PRO a CB 1 +ATOM 25686 C CB B PRO S 1 162 ? -10.457 15.775 -3.747 0.60 43.79 ? 162 PRO a CB 1 +ATOM 25687 C CG A PRO S 1 162 ? -9.289 14.937 -3.545 0.40 49.28 ? 162 PRO a CG 1 +ATOM 25688 C CG B PRO S 1 162 ? -9.242 15.000 -3.618 0.60 49.41 ? 162 PRO a CG 1 +ATOM 25689 C CD A PRO S 1 162 ? -8.347 15.691 -2.638 0.40 46.32 ? 162 PRO a CD 1 +ATOM 25690 C CD B PRO S 1 162 ? -8.387 15.690 -2.591 0.60 46.35 ? 162 PRO a CD 1 +ATOM 25691 N N A ILE S 1 163 ? -11.417 17.940 -1.587 0.40 50.24 ? 163 ILE a N 1 +ATOM 25692 N N B ILE S 1 163 ? -11.386 17.956 -1.642 0.60 50.38 ? 163 ILE a N 1 +ATOM 25693 C CA A ILE S 1 163 ? -12.514 18.713 -1.004 0.40 49.19 ? 163 ILE a CA 1 +ATOM 25694 C CA B ILE S 1 163 ? -12.482 18.722 -1.047 0.60 49.14 ? 163 ILE a CA 1 +ATOM 25695 C C A ILE S 1 163 ? -12.227 20.203 -1.098 0.40 52.00 ? 163 ILE a C 1 +ATOM 25696 C C B ILE S 1 163 ? -12.194 20.216 -1.131 0.60 52.13 ? 163 ILE a C 1 +ATOM 25697 O O A ILE S 1 163 ? -13.110 20.998 -1.449 0.40 52.97 ? 163 ILE a O 1 +ATOM 25698 O O B ILE S 1 163 ? -13.066 21.015 -1.500 0.60 53.19 ? 163 ILE a O 1 +ATOM 25699 C CB A ILE S 1 163 ? -12.773 18.291 0.453 0.40 54.38 ? 163 ILE a CB 1 +ATOM 25700 C CB B ILE S 1 163 ? -12.733 18.275 0.404 0.60 54.46 ? 163 ILE a CB 1 +ATOM 25701 C CG1 A ILE S 1 163 ? -13.454 16.927 0.510 0.40 52.63 ? 163 ILE a CG1 1 +ATOM 25702 C CG1 B ILE S 1 163 ? -13.429 16.913 0.438 0.60 52.52 ? 163 ILE a CG1 1 +ATOM 25703 C CG2 A ILE S 1 163 ? -13.631 19.337 1.182 0.40 45.92 ? 163 ILE a CG2 1 +ATOM 25704 C CG2 B ILE S 1 163 ? -13.571 19.308 1.146 0.60 45.86 ? 163 ILE a CG2 1 +ATOM 25705 C CD1 A ILE S 1 163 ? -13.702 16.468 1.945 0.40 53.73 ? 163 ILE a CD1 1 +ATOM 25706 C CD1 B ILE S 1 163 ? -13.646 16.396 1.853 0.60 53.80 ? 163 ILE a CD1 1 +ATOM 25707 N N A GLY S 1 164 ? -10.998 20.610 -0.778 0.40 49.77 ? 164 GLY a N 1 +ATOM 25708 N N B GLY S 1 164 ? -10.966 20.618 -0.787 0.60 49.82 ? 164 GLY a N 1 +ATOM 25709 C CA A GLY S 1 164 ? -10.673 22.026 -0.814 0.40 48.46 ? 164 GLY a CA 1 +ATOM 25710 C CA B GLY S 1 164 ? -10.628 22.030 -0.830 0.60 48.35 ? 164 GLY a CA 1 +ATOM 25711 C C A GLY S 1 164 ? -10.708 22.594 -2.219 0.40 51.75 ? 164 GLY a C 1 +ATOM 25712 C C B GLY S 1 164 ? -10.584 22.595 -2.237 0.60 51.82 ? 164 GLY a C 1 +ATOM 25713 O O A GLY S 1 164 ? -11.132 23.738 -2.431 0.40 50.63 ? 164 GLY a O 1 +ATOM 25714 O O B GLY S 1 164 ? -10.909 23.770 -2.454 0.60 50.57 ? 164 GLY a O 1 +ATOM 25715 N N A GLN S 1 165 ? -10.286 21.800 -3.202 0.40 49.97 ? 165 GLN a N 1 +ATOM 25716 N N B GLN S 1 165 ? -10.195 21.777 -3.208 0.60 49.88 ? 165 GLN a N 1 +ATOM 25717 C CA A GLN S 1 165 ? -10.215 22.244 -4.588 0.40 49.51 ? 165 GLN a CA 1 +ATOM 25718 C CA B GLN S 1 165 ? -10.102 22.210 -4.595 0.60 49.46 ? 165 GLN a CA 1 +ATOM 25719 C C A GLN S 1 165 ? -11.502 21.979 -5.360 0.40 49.51 ? 165 GLN a C 1 +ATOM 25720 C C B GLN S 1 165 ? -11.387 21.979 -5.385 0.60 49.62 ? 165 GLN a C 1 +ATOM 25721 O O A GLN S 1 165 ? -11.648 22.468 -6.485 0.40 51.10 ? 165 GLN a O 1 +ATOM 25722 O O B GLN S 1 165 ? -11.509 22.487 -6.507 0.60 51.36 ? 165 GLN a O 1 +ATOM 25723 C CB A GLN S 1 165 ? -9.016 21.571 -5.264 0.40 50.65 ? 165 GLN a CB 1 +ATOM 25724 C CB B GLN S 1 165 ? -8.922 21.498 -5.263 0.60 50.61 ? 165 GLN a CB 1 +ATOM 25725 C CG A GLN S 1 165 ? -7.692 21.870 -4.562 0.40 50.17 ? 165 GLN a CG 1 +ATOM 25726 C CG B GLN S 1 165 ? -7.607 21.803 -4.558 0.60 50.00 ? 165 GLN a CG 1 +ATOM 25727 C CD A GLN S 1 165 ? -7.428 23.377 -4.449 0.40 56.20 ? 165 GLN a CD 1 +ATOM 25728 C CD B GLN S 1 165 ? -7.328 23.301 -4.492 0.60 56.31 ? 165 GLN a CD 1 +ATOM 25729 O OE1 A GLN S 1 165 ? -7.305 24.065 -5.458 0.40 57.18 ? 165 GLN a OE1 1 +ATOM 25730 O OE1 B GLN S 1 165 ? -7.145 23.942 -5.516 0.60 57.50 ? 165 GLN a OE1 1 +ATOM 25731 N NE2 A GLN S 1 165 ? -7.371 23.892 -3.220 0.40 53.43 ? 165 GLN a NE2 1 +ATOM 25732 N NE2 B GLN S 1 165 ? -7.315 23.862 -3.288 0.60 53.49 ? 165 GLN a NE2 1 +ATOM 25733 N N A GLY S 1 166 ? -12.433 21.225 -4.789 0.40 48.44 ? 166 GLY a N 1 +ATOM 25734 N N B GLY S 1 166 ? -12.341 21.236 -4.834 0.60 48.45 ? 166 GLY a N 1 +ATOM 25735 C CA A GLY S 1 166 ? -13.735 21.037 -5.389 0.40 48.40 ? 166 GLY a CA 1 +ATOM 25736 C CA B GLY S 1 166 ? -13.642 21.083 -5.450 0.60 48.36 ? 166 GLY a CA 1 +ATOM 25737 C C A GLY S 1 166 ? -13.885 19.876 -6.344 0.40 52.40 ? 166 GLY a C 1 +ATOM 25738 C C B GLY S 1 166 ? -13.814 19.907 -6.384 0.60 52.55 ? 166 GLY a C 1 +ATOM 25739 O O A GLY S 1 166 ? -14.933 19.776 -6.995 0.40 51.10 ? 166 GLY a O 1 +ATOM 25740 O O B GLY S 1 166 ? -14.869 19.801 -7.022 0.60 51.18 ? 166 GLY a O 1 +ATOM 25741 N N A SER S 1 167 ? -12.892 18.992 -6.459 0.40 48.18 ? 167 SER a N 1 +ATOM 25742 N N B SER S 1 167 ? -12.832 19.010 -6.487 0.60 48.08 ? 167 SER a N 1 +ATOM 25743 C CA A SER S 1 167 ? -13.008 17.923 -7.442 0.40 47.22 ? 167 SER a CA 1 +ATOM 25744 C CA B SER S 1 167 ? -12.959 17.945 -7.467 0.60 47.20 ? 167 SER a CA 1 +ATOM 25745 C C A SER S 1 167 ? -12.100 16.746 -7.102 0.40 46.38 ? 167 SER a C 1 +ATOM 25746 C C B SER S 1 167 ? -12.013 16.797 -7.141 0.60 46.46 ? 167 SER a C 1 +ATOM 25747 O O A SER S 1 167 ? -10.918 16.934 -6.815 0.40 44.76 ? 167 SER a O 1 +ATOM 25748 O O B SER S 1 167 ? -10.835 17.012 -6.851 0.60 44.77 ? 167 SER a O 1 +ATOM 25749 C CB A SER S 1 167 ? -12.671 18.449 -8.840 0.40 49.34 ? 167 SER a CB 1 +ATOM 25750 C CB B SER S 1 167 ? -12.676 18.470 -8.882 0.60 49.39 ? 167 SER a CB 1 +ATOM 25751 O OG A SER S 1 167 ? -12.867 17.436 -9.821 0.40 47.25 ? 167 SER a OG 1 +ATOM 25752 O OG B SER S 1 167 ? -12.886 17.451 -9.852 0.60 47.19 ? 167 SER a OG 1 +ATOM 25753 N N A PHE S 1 168 ? -12.640 15.533 -7.206 0.40 44.82 ? 168 PHE a N 1 +ATOM 25754 N N B PHE S 1 168 ? -12.530 15.575 -7.234 0.60 44.51 ? 168 PHE a N 1 +ATOM 25755 C CA A PHE S 1 168 ? -11.789 14.353 -7.106 0.40 49.09 ? 168 PHE a CA 1 +ATOM 25756 C CA B PHE S 1 168 ? -11.663 14.411 -7.125 0.60 49.22 ? 168 PHE a CA 1 +ATOM 25757 C C A PHE S 1 168 ? -10.824 14.222 -8.276 0.40 54.35 ? 168 PHE a C 1 +ATOM 25758 C C B PHE S 1 168 ? -10.691 14.311 -8.294 0.60 54.86 ? 168 PHE a C 1 +ATOM 25759 O O A PHE S 1 168 ? -9.857 13.461 -8.164 0.40 48.81 ? 168 PHE a O 1 +ATOM 25760 O O B PHE S 1 168 ? -9.692 13.590 -8.187 0.60 49.04 ? 168 PHE a O 1 +ATOM 25761 C CB A PHE S 1 168 ? -12.640 13.090 -6.963 0.40 46.68 ? 168 PHE a CB 1 +ATOM 25762 C CB B PHE S 1 168 ? -12.495 13.135 -7.007 0.60 46.28 ? 168 PHE a CB 1 +ATOM 25763 C CG A PHE S 1 168 ? -13.290 12.971 -5.605 0.40 53.32 ? 168 PHE a CG 1 +ATOM 25764 C CG B PHE S 1 168 ? -13.198 13.003 -5.682 0.60 53.38 ? 168 PHE a CG 1 +ATOM 25765 C CD1 A PHE S 1 168 ? -12.518 12.721 -4.473 0.40 53.69 ? 168 PHE a CD1 1 +ATOM 25766 C CD1 B PHE S 1 168 ? -12.487 12.668 -4.537 0.60 53.74 ? 168 PHE a CD1 1 +ATOM 25767 C CD2 A PHE S 1 168 ? -14.656 13.152 -5.452 0.40 52.91 ? 168 PHE a CD2 1 +ATOM 25768 C CD2 B PHE S 1 168 ? -14.565 13.233 -5.573 0.60 53.11 ? 168 PHE a CD2 1 +ATOM 25769 C CE1 A PHE S 1 168 ? -13.101 12.636 -3.209 0.40 56.31 ? 168 PHE a CE1 1 +ATOM 25770 C CE1 B PHE S 1 168 ? -13.122 12.553 -3.312 0.60 56.50 ? 168 PHE a CE1 1 +ATOM 25771 C CE2 A PHE S 1 168 ? -15.244 13.071 -4.206 0.40 45.23 ? 168 PHE a CE2 1 +ATOM 25772 C CE2 B PHE S 1 168 ? -15.206 13.117 -4.348 0.60 44.93 ? 168 PHE a CE2 1 +ATOM 25773 C CZ A PHE S 1 168 ? -14.464 12.803 -3.079 0.40 55.21 ? 168 PHE a CZ 1 +ATOM 25774 C CZ B PHE S 1 168 ? -14.481 12.777 -3.219 0.60 55.36 ? 168 PHE a CZ 1 +ATOM 25775 N N A SER S 1 169 ? -11.033 14.972 -9.372 0.40 51.48 ? 169 SER a N 1 +ATOM 25776 N N B SER S 1 169 ? -10.946 15.036 -9.399 0.60 51.54 ? 169 SER a N 1 +ATOM 25777 C CA A SER S 1 169 ? -10.070 14.997 -10.471 0.40 49.03 ? 169 SER a CA 1 +ATOM 25778 C CA B SER S 1 169 ? -10.010 15.053 -10.520 0.60 49.03 ? 169 SER a CA 1 +ATOM 25779 C C A SER S 1 169 ? -8.737 15.619 -10.070 0.40 48.48 ? 169 SER a C 1 +ATOM 25780 C C B SER S 1 169 ? -8.675 15.685 -10.153 0.60 48.47 ? 169 SER a C 1 +ATOM 25781 O O A SER S 1 169 ? -7.755 15.448 -10.798 0.40 48.03 ? 169 SER a O 1 +ATOM 25782 O O B SER S 1 169 ? -7.722 15.570 -10.928 0.60 47.89 ? 169 SER a O 1 +ATOM 25783 C CB A SER S 1 169 ? -10.643 15.751 -11.679 0.40 46.98 ? 169 SER a CB 1 +ATOM 25784 C CB B SER S 1 169 ? -10.618 15.781 -11.725 0.60 46.93 ? 169 SER a CB 1 +ATOM 25785 O OG A SER S 1 169 ? -10.738 17.141 -11.426 0.40 48.68 ? 169 SER a OG 1 +ATOM 25786 O OG B SER S 1 169 ? -10.709 17.185 -11.516 0.60 48.73 ? 169 SER a OG 1 +ATOM 25787 N N A ASP S 1 170 ? -8.672 16.334 -8.949 0.40 45.85 ? 170 ASP a N 1 +ATOM 25788 N N B ASP S 1 170 ? -8.575 16.339 -8.999 0.60 45.77 ? 170 ASP a N 1 +ATOM 25789 C CA A ASP S 1 170 ? -7.398 16.812 -8.426 0.40 50.81 ? 170 ASP a CA 1 +ATOM 25790 C CA B ASP S 1 170 ? -7.299 16.830 -8.495 0.60 50.79 ? 170 ASP a CA 1 +ATOM 25791 C C A ASP S 1 170 ? -6.877 15.974 -7.256 0.40 50.79 ? 170 ASP a C 1 +ATOM 25792 C C B ASP S 1 170 ? -6.785 16.005 -7.317 0.60 50.96 ? 170 ASP a C 1 +ATOM 25793 O O A ASP S 1 170 ? -5.900 16.363 -6.617 0.40 56.33 ? 170 ASP a O 1 +ATOM 25794 O O B ASP S 1 170 ? -5.818 16.405 -6.666 0.60 56.82 ? 170 ASP a O 1 +ATOM 25795 C CB A ASP S 1 170 ? -7.490 18.289 -8.019 0.40 47.13 ? 170 ASP a CB 1 +ATOM 25796 C CB B ASP S 1 170 ? -7.398 18.317 -8.117 0.60 46.99 ? 170 ASP a CB 1 +ATOM 25797 C CG A ASP S 1 170 ? -7.243 19.213 -9.185 0.40 49.52 ? 170 ASP a CG 1 +ATOM 25798 C CG B ASP S 1 170 ? -7.169 19.226 -9.301 0.60 49.52 ? 170 ASP a CG 1 +ATOM 25799 O OD1 A ASP S 1 170 ? -7.523 20.423 -9.082 0.40 52.28 ? 170 ASP a OD1 1 +ATOM 25800 O OD1 B ASP S 1 170 ? -7.418 20.446 -9.212 0.60 51.88 ? 170 ASP a OD1 1 +ATOM 25801 O OD2 A ASP S 1 170 ? -6.789 18.711 -10.233 0.40 52.33 ? 170 ASP a OD2 1 +ATOM 25802 O OD2 B ASP S 1 170 ? -6.743 18.709 -10.350 0.60 52.51 ? 170 ASP a OD2 1 +ATOM 25803 N N A GLY S 1 171 ? -7.479 14.825 -6.974 0.40 51.21 ? 171 GLY a N 1 +ATOM 25804 N N B GLY S 1 171 ? -7.390 14.861 -7.036 0.60 51.23 ? 171 GLY a N 1 +ATOM 25805 C CA A GLY S 1 171 ? -6.853 13.899 -6.057 0.40 48.14 ? 171 GLY a CA 1 +ATOM 25806 C CA B GLY S 1 171 ? -6.780 13.933 -6.110 0.60 48.09 ? 171 GLY a CA 1 +ATOM 25807 C C A GLY S 1 171 ? -5.666 13.207 -6.701 0.40 49.60 ? 171 GLY a C 1 +ATOM 25808 C C B GLY S 1 171 ? -5.579 13.246 -6.737 0.60 49.67 ? 171 GLY a C 1 +ATOM 25809 O O A GLY S 1 171 ? -5.506 13.189 -7.914 0.40 47.18 ? 171 GLY a O 1 +ATOM 25810 O O B GLY S 1 171 ? -5.334 13.325 -7.936 0.60 47.08 ? 171 GLY a O 1 +ATOM 25811 N N A MET S 1 172 ? -4.817 12.618 -5.882 0.40 48.64 ? 172 MET a N 1 +ATOM 25812 N N B MET S 1 172 ? -4.806 12.565 -5.913 0.60 48.79 ? 172 MET a N 1 +ATOM 25813 C CA A MET S 1 172 ? -3.629 11.983 -6.425 0.40 46.73 ? 172 MET a CA 1 +ATOM 25814 C CA B MET S 1 172 ? -3.616 11.911 -6.432 0.60 46.80 ? 172 MET a CA 1 +ATOM 25815 C C A MET S 1 172 ? -4.014 10.754 -7.249 0.40 47.70 ? 172 MET a C 1 +ATOM 25816 C C B MET S 1 172 ? -4.010 10.695 -7.271 0.60 47.74 ? 172 MET a C 1 +ATOM 25817 O O A MET S 1 172 ? -4.794 9.915 -6.777 0.40 46.06 ? 172 MET a O 1 +ATOM 25818 O O B MET S 1 172 ? -4.834 9.881 -6.830 0.60 46.02 ? 172 MET a O 1 +ATOM 25819 C CB A MET S 1 172 ? -2.673 11.591 -5.304 0.40 44.18 ? 172 MET a CB 1 +ATOM 25820 C CB B MET S 1 172 ? -2.686 11.502 -5.295 0.60 44.17 ? 172 MET a CB 1 +ATOM 25821 C CG A MET S 1 172 ? -1.309 11.196 -5.815 0.40 46.74 ? 172 MET a CG 1 +ATOM 25822 C CG B MET S 1 172 ? -1.273 11.213 -5.767 0.60 46.76 ? 172 MET a CG 1 +ATOM 25823 S SD A MET S 1 172 ? -0.176 10.653 -4.536 0.40 50.48 ? 172 MET a SD 1 +ATOM 25824 S SD B MET S 1 172 ? -0.128 10.628 -4.502 0.60 50.61 ? 172 MET a SD 1 +ATOM 25825 C CE A MET S 1 172 ? -0.504 8.887 -4.462 0.40 43.61 ? 172 MET a CE 1 +ATOM 25826 C CE B MET S 1 172 ? -0.592 8.900 -4.341 0.60 43.66 ? 172 MET a CE 1 +ATOM 25827 N N A PRO S 1 173 ? -3.501 10.608 -8.471 0.40 46.99 ? 173 PRO a N 1 +ATOM 25828 N N B PRO S 1 173 ? -3.466 10.543 -8.477 0.60 46.98 ? 173 PRO a N 1 +ATOM 25829 C CA A PRO S 1 173 ? -3.804 9.401 -9.257 0.40 51.35 ? 173 PRO a CA 1 +ATOM 25830 C CA B PRO S 1 173 ? -3.743 9.335 -9.266 0.60 51.53 ? 173 PRO a CA 1 +ATOM 25831 C C A PRO S 1 173 ? -3.131 8.180 -8.644 0.40 50.89 ? 173 PRO a C 1 +ATOM 25832 C C B PRO S 1 173 ? -3.083 8.117 -8.635 0.60 51.01 ? 173 PRO a C 1 +ATOM 25833 O O A PRO S 1 173 ? -2.156 8.283 -7.901 0.40 51.65 ? 173 PRO a O 1 +ATOM 25834 O O B PRO S 1 173 ? -2.145 8.224 -7.843 0.60 51.83 ? 173 PRO a O 1 +ATOM 25835 C CB A PRO S 1 173 ? -3.231 9.711 -10.654 0.40 42.83 ? 173 PRO a CB 1 +ATOM 25836 C CB B PRO S 1 173 ? -3.134 9.651 -10.648 0.60 42.52 ? 173 PRO a CB 1 +ATOM 25837 C CG A PRO S 1 173 ? -3.065 11.249 -10.667 0.40 41.70 ? 173 PRO a CG 1 +ATOM 25838 C CG B PRO S 1 173 ? -2.944 11.160 -10.657 0.60 41.70 ? 173 PRO a CG 1 +ATOM 25839 C CD A PRO S 1 173 ? -2.695 11.579 -9.237 0.40 44.02 ? 173 PRO a CD 1 +ATOM 25840 C CD B PRO S 1 173 ? -2.664 11.527 -9.230 0.60 44.02 ? 173 PRO a CD 1 +ATOM 25841 N N A LEU S 1 174 ? -3.669 7.010 -8.975 0.40 47.91 ? 174 LEU a N 1 +ATOM 25842 N N B LEU S 1 174 ? -3.599 6.945 -8.989 0.60 48.01 ? 174 LEU a N 1 +ATOM 25843 C CA A LEU S 1 174 ? -3.190 5.749 -8.410 0.40 47.52 ? 174 LEU a CA 1 +ATOM 25844 C CA B LEU S 1 174 ? -3.114 5.682 -8.419 0.60 47.45 ? 174 LEU a CA 1 +ATOM 25845 C C A LEU S 1 174 ? -2.187 5.107 -9.366 0.40 46.04 ? 174 LEU a C 1 +ATOM 25846 C C B LEU S 1 174 ? -2.111 5.053 -9.382 0.60 45.96 ? 174 LEU a C 1 +ATOM 25847 O O A LEU S 1 174 ? -2.468 4.127 -10.058 0.40 45.43 ? 174 LEU a O 1 +ATOM 25848 O O B LEU S 1 174 ? -2.395 4.091 -10.098 0.60 45.55 ? 174 LEU a O 1 +ATOM 25849 C CB A LEU S 1 174 ? -4.365 4.822 -8.129 0.40 45.55 ? 174 LEU a CB 1 +ATOM 25850 C CB B LEU S 1 174 ? -4.280 4.745 -8.136 0.60 45.32 ? 174 LEU a CB 1 +ATOM 25851 C CG A LEU S 1 174 ? -5.555 5.430 -7.376 0.40 50.09 ? 174 LEU a CG 1 +ATOM 25852 C CG B LEU S 1 174 ? -5.476 5.345 -7.388 0.60 50.40 ? 174 LEU a CG 1 +ATOM 25853 C CD1 A LEU S 1 174 ? -6.545 4.296 -7.055 0.40 48.87 ? 174 LEU a CD1 1 +ATOM 25854 C CD1 B LEU S 1 174 ? -6.460 4.229 -7.030 0.60 48.82 ? 174 LEU a CD1 1 +ATOM 25855 C CD2 A LEU S 1 174 ? -5.117 6.141 -6.100 0.40 47.66 ? 174 LEU a CD2 1 +ATOM 25856 C CD2 B LEU S 1 174 ? -5.023 6.085 -6.146 0.60 47.65 ? 174 LEU a CD2 1 +ATOM 25857 N N A GLY S 1 175 ? -1.008 5.714 -9.421 0.40 48.55 ? 175 GLY a N 1 +ATOM 25858 N N B GLY S 1 175 ? -0.925 5.648 -9.414 0.60 48.68 ? 175 GLY a N 1 +ATOM 25859 C CA A GLY S 1 175 ? 0.040 5.222 -10.297 0.40 46.19 ? 175 GLY a CA 1 +ATOM 25860 C CA B GLY S 1 175 ? 0.096 5.233 -10.354 0.60 46.19 ? 175 GLY a CA 1 +ATOM 25861 C C A GLY S 1 175 ? 1.313 6.006 -10.072 0.40 44.20 ? 175 GLY a C 1 +ATOM 25862 C C B GLY S 1 175 ? 1.382 5.980 -10.073 0.60 44.16 ? 175 GLY a C 1 +ATOM 25863 O O A GLY S 1 175 ? 1.320 7.060 -9.437 0.40 44.83 ? 175 GLY a O 1 +ATOM 25864 O O B GLY S 1 175 ? 1.399 7.012 -9.391 0.60 44.77 ? 175 GLY a O 1 +ATOM 25865 N N A ILE S 1 176 ? 2.395 5.478 -10.632 0.40 42.86 ? 176 ILE a N 1 +ATOM 25866 N N B ILE S 1 176 ? 2.466 5.436 -10.614 0.60 42.86 ? 176 ILE a N 1 +ATOM 25867 C CA A ILE S 1 176 ? 3.721 6.005 -10.339 0.40 40.63 ? 176 ILE a CA 1 +ATOM 25868 C CA B ILE S 1 176 ? 3.790 5.976 -10.333 0.60 40.58 ? 176 ILE a CA 1 +ATOM 25869 C C A ILE S 1 176 ? 3.940 7.346 -11.044 0.40 43.59 ? 176 ILE a C 1 +ATOM 25870 C C B ILE S 1 176 ? 3.976 7.325 -11.032 0.60 43.57 ? 176 ILE a C 1 +ATOM 25871 O O A ILE S 1 176 ? 4.305 8.338 -10.408 0.40 49.13 ? 176 ILE a O 1 +ATOM 25872 O O B ILE S 1 176 ? 4.302 8.332 -10.391 0.60 49.37 ? 176 ILE a O 1 +ATOM 25873 C CB A ILE S 1 176 ? 4.781 4.947 -10.716 0.40 43.72 ? 176 ILE a CB 1 +ATOM 25874 C CB B ILE S 1 176 ? 4.863 4.939 -10.728 0.60 43.64 ? 176 ILE a CB 1 +ATOM 25875 C CG1 A ILE S 1 176 ? 4.753 3.813 -9.678 0.40 43.58 ? 176 ILE a CG1 1 +ATOM 25876 C CG1 B ILE S 1 176 ? 4.885 3.792 -9.698 0.60 43.74 ? 176 ILE a CG1 1 +ATOM 25877 C CG2 A ILE S 1 176 ? 6.172 5.566 -10.900 0.40 41.45 ? 176 ILE a CG2 1 +ATOM 25878 C CG2 B ILE S 1 176 ? 6.226 5.581 -10.881 0.60 41.39 ? 176 ILE a CG2 1 +ATOM 25879 C CD1 A ILE S 1 176 ? 5.396 2.496 -10.158 0.40 42.40 ? 176 ILE a CD1 1 +ATOM 25880 C CD1 B ILE S 1 176 ? 5.427 2.458 -10.234 0.60 42.34 ? 176 ILE a CD1 1 +ATOM 25881 N N A SER S 1 177 ? 3.724 7.402 -12.369 0.40 46.40 ? 177 SER a N 1 +ATOM 25882 N N B SER S 1 177 ? 3.740 7.377 -12.350 0.60 46.57 ? 177 SER a N 1 +ATOM 25883 C CA A SER S 1 177 ? 3.854 8.683 -13.072 0.40 41.23 ? 177 SER a CA 1 +ATOM 25884 C CA B SER S 1 177 ? 3.865 8.641 -13.076 0.60 41.13 ? 177 SER a CA 1 +ATOM 25885 C C A SER S 1 177 ? 2.719 9.632 -12.724 0.40 44.58 ? 177 SER a C 1 +ATOM 25886 C C B SER S 1 177 ? 2.753 9.614 -12.704 0.60 44.68 ? 177 SER a C 1 +ATOM 25887 O O A SER S 1 177 ? 2.920 10.854 -12.705 0.40 45.44 ? 177 SER a O 1 +ATOM 25888 O O B SER S 1 177 ? 2.981 10.830 -12.677 0.60 45.47 ? 177 SER a O 1 +ATOM 25889 C CB A SER S 1 177 ? 3.929 8.480 -14.591 0.40 42.51 ? 177 SER a CB 1 +ATOM 25890 C CB B SER S 1 177 ? 3.882 8.398 -14.592 0.60 42.54 ? 177 SER a CB 1 +ATOM 25891 O OG A SER S 1 177 ? 5.161 7.877 -14.951 0.40 43.17 ? 177 SER a OG 1 +ATOM 25892 O OG B SER S 1 177 ? 5.130 7.872 -15.012 0.60 43.10 ? 177 SER a OG 1 +ATOM 25893 N N A GLY S 1 178 ? 1.535 9.106 -12.410 0.40 42.87 ? 178 GLY a N 1 +ATOM 25894 N N B GLY S 1 178 ? 1.558 9.105 -12.388 0.60 42.89 ? 178 GLY a N 1 +ATOM 25895 C CA A GLY S 1 178 ? 0.477 9.980 -11.922 0.40 45.35 ? 178 GLY a CA 1 +ATOM 25896 C CA B GLY S 1 178 ? 0.507 9.983 -11.891 0.60 45.41 ? 178 GLY a CA 1 +ATOM 25897 C C A GLY S 1 178 ? 0.849 10.673 -10.622 0.40 50.33 ? 178 GLY a C 1 +ATOM 25898 C C B GLY S 1 178 ? 0.886 10.682 -10.594 0.60 50.48 ? 178 GLY a C 1 +ATOM 25899 O O A GLY S 1 178 ? 0.502 11.837 -10.402 0.40 49.96 ? 178 GLY a O 1 +ATOM 25900 O O B GLY S 1 178 ? 0.546 11.848 -10.386 0.60 50.09 ? 178 GLY a O 1 +ATOM 25901 N N A THR S 1 179 ? 1.558 9.966 -9.736 0.40 47.11 ? 179 THR a N 1 +ATOM 25902 N N B THR S 1 179 ? 1.582 9.975 -9.696 0.60 47.15 ? 179 THR a N 1 +ATOM 25903 C CA A THR S 1 179 ? 2.025 10.601 -8.506 0.40 45.49 ? 179 THR a CA 1 +ATOM 25904 C CA B THR S 1 179 ? 2.058 10.610 -8.472 0.60 45.52 ? 179 THR a CA 1 +ATOM 25905 C C A THR S 1 179 ? 2.924 11.798 -8.816 0.40 46.18 ? 179 THR a C 1 +ATOM 25906 C C B THR S 1 179 ? 2.963 11.794 -8.797 0.60 46.25 ? 179 THR a C 1 +ATOM 25907 O O A THR S 1 179 ? 2.786 12.870 -8.211 0.40 46.20 ? 179 THR a O 1 +ATOM 25908 O O B THR S 1 179 ? 2.843 12.868 -8.195 0.60 46.18 ? 179 THR a O 1 +ATOM 25909 C CB A THR S 1 179 ? 2.767 9.581 -7.633 0.40 47.35 ? 179 THR a CB 1 +ATOM 25910 C CB B THR S 1 179 ? 2.804 9.594 -7.593 0.60 47.40 ? 179 THR a CB 1 +ATOM 25911 O OG1 A THR S 1 179 ? 1.864 8.549 -7.209 0.40 45.46 ? 179 THR a OG1 1 +ATOM 25912 O OG1 B THR S 1 179 ? 1.950 8.487 -7.267 0.60 45.50 ? 179 THR a OG1 1 +ATOM 25913 C CG2 A THR S 1 179 ? 3.381 10.267 -6.393 0.40 45.59 ? 179 THR a CG2 1 +ATOM 25914 C CG2 B THR S 1 179 ? 3.292 10.246 -6.306 0.60 45.71 ? 179 THR a CG2 1 +ATOM 25915 N N A PHE S 1 180 ? 3.862 11.628 -9.751 0.40 41.77 ? 180 PHE a N 1 +ATOM 25916 N N B PHE S 1 180 ? 3.882 11.609 -9.745 0.60 41.63 ? 180 PHE a N 1 +ATOM 25917 C CA A PHE S 1 180 ? 4.759 12.732 -10.107 0.40 45.51 ? 180 PHE a CA 1 +ATOM 25918 C CA B PHE S 1 180 ? 4.789 12.692 -10.115 0.60 45.58 ? 180 PHE a CA 1 +ATOM 25919 C C A PHE S 1 180 ? 3.982 13.914 -10.694 0.40 48.51 ? 180 PHE a C 1 +ATOM 25920 C C B PHE S 1 180 ? 4.018 13.875 -10.691 0.60 48.57 ? 180 PHE a C 1 +ATOM 25921 O O A PHE S 1 180 ? 4.294 15.083 -10.416 0.40 51.72 ? 180 PHE a O 1 +ATOM 25922 O O B PHE S 1 180 ? 4.317 15.033 -10.380 0.60 51.98 ? 180 PHE a O 1 +ATOM 25923 C CB A PHE S 1 180 ? 5.820 12.240 -11.101 0.40 45.67 ? 180 PHE a CB 1 +ATOM 25924 C CB B PHE S 1 180 ? 5.830 12.181 -11.117 0.60 45.71 ? 180 PHE a CB 1 +ATOM 25925 C CG A PHE S 1 180 ? 6.602 11.016 -10.623 0.40 45.47 ? 180 PHE a CG 1 +ATOM 25926 C CG B PHE S 1 180 ? 6.630 11.004 -10.619 0.60 45.47 ? 180 PHE a CG 1 +ATOM 25927 C CD1 A PHE S 1 180 ? 6.866 10.825 -9.275 0.40 44.66 ? 180 PHE a CD1 1 +ATOM 25928 C CD1 B PHE S 1 180 ? 6.882 10.843 -9.262 0.60 44.64 ? 180 PHE a CD1 1 +ATOM 25929 C CD2 A PHE S 1 180 ? 7.068 10.074 -11.526 0.40 46.05 ? 180 PHE a CD2 1 +ATOM 25930 C CD2 B PHE S 1 180 ? 7.120 10.053 -11.500 0.60 46.09 ? 180 PHE a CD2 1 +ATOM 25931 C CE1 A PHE S 1 180 ? 7.587 9.692 -8.822 0.40 46.49 ? 180 PHE a CE1 1 +ATOM 25932 C CE1 B PHE S 1 180 ? 7.613 9.756 -8.793 0.60 46.56 ? 180 PHE a CE1 1 +ATOM 25933 C CE2 A PHE S 1 180 ? 7.790 8.948 -11.098 0.40 43.25 ? 180 PHE a CE2 1 +ATOM 25934 C CE2 B PHE S 1 180 ? 7.853 8.970 -11.043 0.60 43.30 ? 180 PHE a CE2 1 +ATOM 25935 C CZ A PHE S 1 180 ? 8.052 8.764 -9.732 0.40 45.99 ? 180 PHE a CZ 1 +ATOM 25936 C CZ B PHE S 1 180 ? 8.099 8.823 -9.674 0.60 45.99 ? 180 PHE a CZ 1 +ATOM 25937 N N A ASN S 1 181 ? 2.961 13.629 -11.506 0.40 45.69 ? 181 ASN a N 1 +ATOM 25938 N N B ASN S 1 181 ? 3.010 13.599 -11.523 0.60 45.71 ? 181 ASN a N 1 +ATOM 25939 C CA A ASN S 1 181 ? 2.142 14.695 -12.069 0.40 46.83 ? 181 ASN a CA 1 +ATOM 25940 C CA B ASN S 1 181 ? 2.167 14.662 -12.060 0.60 46.91 ? 181 ASN a CA 1 +ATOM 25941 C C A ASN S 1 181 ? 1.491 15.521 -10.960 0.40 45.58 ? 181 ASN a C 1 +ATOM 25942 C C B ASN S 1 181 ? 1.538 15.476 -10.935 0.60 45.60 ? 181 ASN a C 1 +ATOM 25943 O O A ASN S 1 181 ? 1.505 16.757 -10.992 0.40 46.51 ? 181 ASN a O 1 +ATOM 25944 O O B ASN S 1 181 ? 1.566 16.711 -10.955 0.60 46.45 ? 181 ASN a O 1 +ATOM 25945 C CB A ASN S 1 181 ? 1.095 14.082 -13.004 0.40 40.93 ? 181 ASN a CB 1 +ATOM 25946 C CB B ASN S 1 181 ? 1.092 14.054 -12.964 0.60 40.72 ? 181 ASN a CB 1 +ATOM 25947 C CG A ASN S 1 181 ? 0.194 15.130 -13.643 0.40 49.91 ? 181 ASN a CG 1 +ATOM 25948 C CG B ASN S 1 181 ? 0.173 15.107 -13.571 0.60 50.15 ? 181 ASN a CG 1 +ATOM 25949 O OD1 A ASN S 1 181 ? -0.902 15.396 -13.162 0.40 46.00 ? 181 ASN a OD1 1 +ATOM 25950 O OD1 B ASN S 1 181 ? -0.939 15.333 -13.087 0.60 45.96 ? 181 ASN a OD1 1 +ATOM 25951 N ND2 A ASN S 1 181 ? 0.665 15.736 -14.723 0.40 41.81 ? 181 ASN a ND2 1 +ATOM 25952 N ND2 B ASN S 1 181 ? 0.637 15.756 -14.634 0.60 41.71 ? 181 ASN a ND2 1 +ATOM 25953 N N A PHE S 1 182 ? 0.935 14.839 -9.960 0.40 47.39 ? 182 PHE a N 1 +ATOM 25954 N N B PHE S 1 182 ? 0.983 14.786 -9.936 0.60 47.46 ? 182 PHE a N 1 +ATOM 25955 C CA A PHE S 1 182 ? 0.322 15.504 -8.814 0.40 49.68 ? 182 PHE a CA 1 +ATOM 25956 C CA B PHE S 1 182 ? 0.387 15.438 -8.769 0.60 49.94 ? 182 PHE a CA 1 +ATOM 25957 C C A PHE S 1 182 ? 1.331 16.381 -8.066 0.40 50.35 ? 182 PHE a C 1 +ATOM 25958 C C B PHE S 1 182 ? 1.396 16.334 -8.053 0.60 50.45 ? 182 PHE a C 1 +ATOM 25959 O O A PHE S 1 182 ? 1.009 17.512 -7.679 0.40 50.84 ? 182 PHE a O 1 +ATOM 25960 O O B PHE S 1 182 ? 1.087 17.485 -7.708 0.60 51.10 ? 182 PHE a O 1 +ATOM 25961 C CB A PHE S 1 182 ? -0.286 14.426 -7.904 0.40 45.99 ? 182 PHE a CB 1 +ATOM 25962 C CB B PHE S 1 182 ? -0.162 14.351 -7.832 0.60 45.83 ? 182 PHE a CB 1 +ATOM 25963 C CG A PHE S 1 182 ? -0.875 14.938 -6.606 0.40 46.97 ? 182 PHE a CG 1 +ATOM 25964 C CG B PHE S 1 182 ? -0.798 14.866 -6.558 0.60 46.96 ? 182 PHE a CG 1 +ATOM 25965 C CD1 A PHE S 1 182 ? -2.207 15.339 -6.535 0.40 45.99 ? 182 PHE a CD1 1 +ATOM 25966 C CD1 B PHE S 1 182 ? -2.139 15.230 -6.532 0.60 45.96 ? 182 PHE a CD1 1 +ATOM 25967 C CD2 A PHE S 1 182 ? -0.115 14.948 -5.444 0.40 41.90 ? 182 PHE a CD2 1 +ATOM 25968 C CD2 B PHE S 1 182 ? -0.069 14.919 -5.376 0.60 41.82 ? 182 PHE a CD2 1 +ATOM 25969 C CE1 A PHE S 1 182 ? -2.760 15.773 -5.323 0.40 46.83 ? 182 PHE a CE1 1 +ATOM 25970 C CE1 B PHE S 1 182 ? -2.732 15.682 -5.353 0.60 46.87 ? 182 PHE a CE1 1 +ATOM 25971 C CE2 A PHE S 1 182 ? -0.661 15.370 -4.218 0.40 47.51 ? 182 PHE a CE2 1 +ATOM 25972 C CE2 B PHE S 1 182 ? -0.652 15.360 -4.194 0.60 47.55 ? 182 PHE a CE2 1 +ATOM 25973 C CZ A PHE S 1 182 ? -1.981 15.781 -4.160 0.40 47.48 ? 182 PHE a CZ 1 +ATOM 25974 C CZ B PHE S 1 182 ? -1.984 15.742 -4.179 0.60 47.51 ? 182 PHE a CZ 1 +ATOM 25975 N N A MET S 1 183 ? 2.558 15.880 -7.867 0.40 43.08 ? 183 MET a N 1 +ATOM 25976 N N B MET S 1 183 ? 2.617 15.829 -7.839 0.60 42.91 ? 183 MET a N 1 +ATOM 25977 C CA A MET S 1 183 ? 3.591 16.644 -7.163 0.40 47.10 ? 183 MET a CA 1 +ATOM 25978 C CA B MET S 1 183 ? 3.644 16.601 -7.137 0.60 47.10 ? 183 MET a CA 1 +ATOM 25979 C C A MET S 1 183 ? 3.979 17.903 -7.928 0.40 49.94 ? 183 MET a C 1 +ATOM 25980 C C B MET S 1 183 ? 4.019 17.869 -7.899 0.60 50.02 ? 183 MET a C 1 +ATOM 25981 O O A MET S 1 183 ? 4.127 18.985 -7.342 0.40 47.69 ? 183 MET a O 1 +ATOM 25982 O O B MET S 1 183 ? 4.171 18.945 -7.302 0.60 47.74 ? 183 MET a O 1 +ATOM 25983 C CB A MET S 1 183 ? 4.839 15.782 -6.948 0.40 43.36 ? 183 MET a CB 1 +ATOM 25984 C CB B MET S 1 183 ? 4.891 15.745 -6.922 0.60 43.18 ? 183 MET a CB 1 +ATOM 25985 C CG A MET S 1 183 ? 4.629 14.596 -6.064 0.40 45.79 ? 183 MET a CG 1 +ATOM 25986 C CG B MET S 1 183 ? 4.637 14.485 -6.157 0.60 45.79 ? 183 MET a CG 1 +ATOM 25987 S SD A MET S 1 183 ? 6.096 13.556 -6.021 0.40 50.33 ? 183 MET a SD 1 +ATOM 25988 S SD B MET S 1 183 ? 6.112 13.481 -6.014 0.60 50.18 ? 183 MET a SD 1 +ATOM 25989 C CE A MET S 1 183 ? 7.009 14.299 -4.663 0.40 45.61 ? 183 MET a CE 1 +ATOM 25990 C CE B MET S 1 183 ? 6.939 14.254 -4.628 0.60 45.62 ? 183 MET a CE 1 +ATOM 25991 N N A ILE S 1 184 ? 4.206 17.767 -9.236 0.40 47.80 ? 184 ILE a N 1 +ATOM 25992 N N B ILE S 1 184 ? 4.185 17.760 -9.221 0.60 47.80 ? 184 ILE a N 1 +ATOM 25993 C CA A ILE S 1 184 ? 4.669 18.905 -10.019 0.40 48.10 ? 184 ILE a CA 1 +ATOM 25994 C CA B ILE S 1 184 ? 4.660 18.898 -10.000 0.60 48.18 ? 184 ILE a CA 1 +ATOM 25995 C C A ILE S 1 184 ? 3.596 19.984 -10.065 0.40 51.18 ? 184 ILE a C 1 +ATOM 25996 C C B ILE S 1 184 ? 3.589 19.976 -10.059 0.60 51.31 ? 184 ILE a C 1 +ATOM 25997 O O A ILE S 1 184 ? 3.872 21.168 -9.844 0.40 50.84 ? 184 ILE a O 1 +ATOM 25998 O O B ILE S 1 184 ? 3.860 21.161 -9.823 0.60 50.99 ? 184 ILE a O 1 +ATOM 25999 C CB A ILE S 1 184 ? 5.075 18.446 -11.428 0.40 43.84 ? 184 ILE a CB 1 +ATOM 26000 C CB B ILE S 1 184 ? 5.082 18.441 -11.402 0.60 43.69 ? 184 ILE a CB 1 +ATOM 26001 C CG1 A ILE S 1 184 ? 6.259 17.481 -11.357 0.40 46.31 ? 184 ILE a CG1 1 +ATOM 26002 C CG1 B ILE S 1 184 ? 6.229 17.436 -11.318 0.60 46.24 ? 184 ILE a CG1 1 +ATOM 26003 C CG2 A ILE S 1 184 ? 5.361 19.652 -12.341 0.40 48.04 ? 184 ILE a CG2 1 +ATOM 26004 C CG2 B ILE S 1 184 ? 5.437 19.633 -12.283 0.60 48.17 ? 184 ILE a CG2 1 +ATOM 26005 C CD1 A ILE S 1 184 ? 6.467 16.657 -12.687 0.40 47.03 ? 184 ILE a CD1 1 +ATOM 26006 C CD1 B ILE S 1 184 ? 6.455 16.685 -12.647 0.60 47.21 ? 184 ILE a CD1 1 +ATOM 26007 N N A VAL S 1 185 ? 2.349 19.592 -10.343 0.40 48.78 ? 185 VAL a N 1 +ATOM 26008 N N B VAL S 1 185 ? 2.347 19.578 -10.347 0.60 48.82 ? 185 VAL a N 1 +ATOM 26009 C CA A VAL S 1 185 ? 1.269 20.577 -10.394 0.40 50.83 ? 185 VAL a CA 1 +ATOM 26010 C CA B VAL S 1 185 ? 1.251 20.544 -10.362 0.60 50.90 ? 185 VAL a CA 1 +ATOM 26011 C C A VAL S 1 185 ? 1.053 21.204 -9.019 0.40 48.74 ? 185 VAL a C 1 +ATOM 26012 C C B VAL S 1 185 ? 1.057 21.162 -8.981 0.60 48.74 ? 185 VAL a C 1 +ATOM 26013 O O A VAL S 1 185 ? 0.761 22.402 -8.903 0.40 51.80 ? 185 VAL a O 1 +ATOM 26014 O O B VAL S 1 185 ? 0.746 22.350 -8.858 0.60 51.93 ? 185 VAL a O 1 +ATOM 26015 C CB A VAL S 1 185 ? -0.017 19.929 -10.940 0.40 50.30 ? 185 VAL a CB 1 +ATOM 26016 C CB B VAL S 1 185 ? -0.040 19.884 -10.882 0.60 50.35 ? 185 VAL a CB 1 +ATOM 26017 C CG1 A VAL S 1 185 ? -1.207 20.858 -10.750 0.40 46.15 ? 185 VAL a CG1 1 +ATOM 26018 C CG1 B VAL S 1 185 ? -1.214 20.836 -10.742 0.60 46.10 ? 185 VAL a CG1 1 +ATOM 26019 C CG2 A VAL S 1 185 ? 0.152 19.542 -12.443 0.40 48.71 ? 185 VAL a CG2 1 +ATOM 26020 C CG2 B VAL S 1 185 ? 0.133 19.468 -12.339 0.60 48.87 ? 185 VAL a CG2 1 +ATOM 26021 N N A PHE S 1 186 ? 1.178 20.402 -7.955 0.40 51.52 ? 186 PHE a N 1 +ATOM 26022 N N B PHE S 1 186 ? 1.233 20.368 -7.919 0.60 51.70 ? 186 PHE a N 1 +ATOM 26023 C CA A PHE S 1 186 ? 1.063 20.945 -6.601 0.40 49.42 ? 186 PHE a CA 1 +ATOM 26024 C CA B PHE S 1 186 ? 1.110 20.907 -6.564 0.60 49.54 ? 186 PHE a CA 1 +ATOM 26025 C C A PHE S 1 186 ? 2.096 22.043 -6.362 0.40 46.00 ? 186 PHE a C 1 +ATOM 26026 C C B PHE S 1 186 ? 2.137 22.008 -6.317 0.60 45.89 ? 186 PHE a C 1 +ATOM 26027 O O A PHE S 1 186 ? 1.793 23.064 -5.738 0.40 49.30 ? 186 PHE a O 1 +ATOM 26028 O O B PHE S 1 186 ? 1.828 23.029 -5.694 0.60 49.30 ? 186 PHE a O 1 +ATOM 26029 C CB A PHE S 1 186 ? 1.227 19.816 -5.567 0.40 48.59 ? 186 PHE a CB 1 +ATOM 26030 C CB B PHE S 1 186 ? 1.270 19.778 -5.534 0.60 48.54 ? 186 PHE a CB 1 +ATOM 26031 C CG A PHE S 1 186 ? 0.454 20.032 -4.281 0.40 47.18 ? 186 PHE a CG 1 +ATOM 26032 C CG B PHE S 1 186 ? 0.497 19.999 -4.248 0.60 47.07 ? 186 PHE a CG 1 +ATOM 26033 C CD1 A PHE S 1 186 ? 0.941 20.879 -3.287 0.40 49.49 ? 186 PHE a CD1 1 +ATOM 26034 C CD1 B PHE S 1 186 ? 0.967 20.869 -3.271 0.60 49.60 ? 186 PHE a CD1 1 +ATOM 26035 C CD2 A PHE S 1 186 ? -0.748 19.377 -4.068 0.40 47.27 ? 186 PHE a CD2 1 +ATOM 26036 C CD2 B PHE S 1 186 ? -0.698 19.326 -4.021 0.60 47.19 ? 186 PHE a CD2 1 +ATOM 26037 C CE1 A PHE S 1 186 ? 0.236 21.073 -2.102 0.40 48.66 ? 186 PHE a CE1 1 +ATOM 26038 C CE1 B PHE S 1 186 ? 0.256 21.075 -2.092 0.60 48.67 ? 186 PHE a CE1 1 +ATOM 26039 C CE2 A PHE S 1 186 ? -1.460 19.564 -2.905 0.40 51.20 ? 186 PHE a CE2 1 +ATOM 26040 C CE2 B PHE S 1 186 ? -1.416 19.531 -2.852 0.60 51.32 ? 186 PHE a CE2 1 +ATOM 26041 C CZ A PHE S 1 186 ? -0.966 20.410 -1.908 0.40 48.18 ? 186 PHE a CZ 1 +ATOM 26042 C CZ B PHE S 1 186 ? -0.939 20.402 -1.885 0.60 48.15 ? 186 PHE a CZ 1 +ATOM 26043 N N A GLN S 1 187 ? 3.329 21.839 -6.834 0.40 47.37 ? 187 GLN a N 1 +ATOM 26044 N N B GLN S 1 187 ? 3.369 21.811 -6.795 0.60 47.35 ? 187 GLN a N 1 +ATOM 26045 C CA A GLN S 1 187 ? 4.374 22.841 -6.646 0.40 48.33 ? 187 GLN a CA 1 +ATOM 26046 C CA B GLN S 1 187 ? 4.413 22.817 -6.640 0.60 48.32 ? 187 GLN a CA 1 +ATOM 26047 C C A GLN S 1 187 ? 4.033 24.132 -7.389 0.40 53.55 ? 187 GLN a C 1 +ATOM 26048 C C B GLN S 1 187 ? 4.068 24.088 -7.411 0.60 53.74 ? 187 GLN a C 1 +ATOM 26049 O O A GLN S 1 187 ? 4.211 25.235 -6.853 0.40 51.17 ? 187 GLN a O 1 +ATOM 26050 O O B GLN S 1 187 ? 4.310 25.202 -6.928 0.60 51.34 ? 187 GLN a O 1 +ATOM 26051 C CB A GLN S 1 187 ? 5.723 22.261 -7.096 0.40 41.35 ? 187 GLN a CB 1 +ATOM 26052 C CB B GLN S 1 187 ? 5.753 22.233 -7.102 0.60 41.12 ? 187 GLN a CB 1 +ATOM 26053 C CG A GLN S 1 187 ? 6.887 23.257 -7.198 0.40 45.79 ? 187 GLN a CG 1 +ATOM 26054 C CG B GLN S 1 187 ? 6.926 23.201 -7.163 0.60 45.64 ? 187 GLN a CG 1 +ATOM 26055 C CD A GLN S 1 187 ? 7.213 23.972 -5.872 0.40 54.53 ? 187 GLN a CD 1 +ATOM 26056 C CD B GLN S 1 187 ? 7.186 23.938 -5.849 0.60 54.77 ? 187 GLN a CD 1 +ATOM 26057 O OE1 A GLN S 1 187 ? 6.824 23.532 -4.777 0.40 51.25 ? 187 GLN a OE1 1 +ATOM 26058 O OE1 B GLN S 1 187 ? 6.826 23.467 -4.759 0.60 51.27 ? 187 GLN a OE1 1 +ATOM 26059 N NE2 A GLN S 1 187 ? 7.943 25.073 -5.976 0.40 45.51 ? 187 GLN a NE2 1 +ATOM 26060 N NE2 B GLN S 1 187 ? 7.814 25.108 -5.954 0.60 45.39 ? 187 GLN a NE2 1 +ATOM 26061 N N A ALA S 1 188 ? 3.497 24.005 -8.609 0.40 52.06 ? 188 ALA a N 1 +ATOM 26062 N N B ALA S 1 188 ? 3.480 23.935 -8.603 0.60 52.16 ? 188 ALA a N 1 +ATOM 26063 C CA A ALA S 1 188 ? 3.102 25.177 -9.380 0.40 52.05 ? 188 ALA a CA 1 +ATOM 26064 C CA B ALA S 1 188 ? 3.113 25.097 -9.401 0.60 52.13 ? 188 ALA a CA 1 +ATOM 26065 C C A ALA S 1 188 ? 1.988 25.946 -8.694 0.40 50.13 ? 188 ALA a C 1 +ATOM 26066 C C B ALA S 1 188 ? 2.042 25.922 -8.715 0.60 50.10 ? 188 ALA a C 1 +ATOM 26067 O O A ALA S 1 188 ? 1.943 27.179 -8.765 0.40 49.51 ? 188 ALA a O 1 +ATOM 26068 O O B ALA S 1 188 ? 2.057 27.153 -8.795 0.60 49.35 ? 188 ALA a O 1 +ATOM 26069 C CB A ALA S 1 188 ? 2.652 24.759 -10.780 0.40 52.86 ? 188 ALA a CB 1 +ATOM 26070 C CB B ALA S 1 188 ? 2.623 24.662 -10.783 0.60 52.94 ? 188 ALA a CB 1 +ATOM 26071 N N A GLU S 1 189 ? 1.074 25.241 -8.033 0.40 48.64 ? 189 GLU a N 1 +ATOM 26072 N N B GLU S 1 189 ? 1.094 25.267 -8.046 0.60 48.65 ? 189 GLU a N 1 +ATOM 26073 C CA A GLU S 1 189 ? -0.139 25.876 -7.544 0.40 51.81 ? 189 GLU a CA 1 +ATOM 26074 C CA B GLU S 1 189 ? -0.085 25.960 -7.548 0.60 51.84 ? 189 GLU a CA 1 +ATOM 26075 C C A GLU S 1 189 ? -0.069 26.259 -6.072 0.40 58.50 ? 189 GLU a C 1 +ATOM 26076 C C B GLU S 1 189 ? -0.001 26.328 -6.069 0.60 58.83 ? 189 GLU a C 1 +ATOM 26077 O O A GLU S 1 189 ? -0.903 27.046 -5.612 0.40 56.28 ? 189 GLU a O 1 +ATOM 26078 O O B GLU S 1 189 ? -0.801 27.153 -5.604 0.60 56.23 ? 189 GLU a O 1 +ATOM 26079 C CB A GLU S 1 189 ? -1.334 24.959 -7.824 0.40 48.69 ? 189 GLU a CB 1 +ATOM 26080 C CB B GLU S 1 189 ? -1.328 25.111 -7.824 0.60 48.43 ? 189 GLU a CB 1 +ATOM 26081 C CG A GLU S 1 189 ? -1.486 24.779 -9.318 0.40 52.26 ? 189 GLU a CG 1 +ATOM 26082 C CG B GLU S 1 189 ? -1.400 24.705 -9.285 0.60 52.36 ? 189 GLU a CG 1 +ATOM 26083 C CD A GLU S 1 189 ? -2.717 24.030 -9.754 0.40 49.42 ? 189 GLU a CD 1 +ATOM 26084 C CD B GLU S 1 189 ? -2.730 24.124 -9.701 0.60 49.43 ? 189 GLU a CD 1 +ATOM 26085 O OE1 A GLU S 1 189 ? -3.371 23.370 -8.922 0.40 50.21 ? 189 GLU a OE1 1 +ATOM 26086 O OE1 B GLU S 1 189 ? -3.428 23.572 -8.837 0.60 52.09 ? 189 GLU a OE1 1 +ATOM 26087 O OE2 A GLU S 1 189 ? -3.020 24.106 -10.967 0.40 53.64 ? 189 GLU a OE2 1 +ATOM 26088 O OE2 B GLU S 1 189 ? -3.077 24.225 -10.900 0.60 53.73 ? 189 GLU a OE2 1 +ATOM 26089 N N A HIS S 1 190 ? 0.931 25.773 -5.342 0.40 49.94 ? 190 HIS a N 1 +ATOM 26090 N N B HIS S 1 190 ? 0.966 25.782 -5.333 0.60 49.95 ? 190 HIS a N 1 +ATOM 26091 C CA A HIS S 1 190 ? 1.035 26.078 -3.924 0.40 47.08 ? 190 HIS a CA 1 +ATOM 26092 C CA B HIS S 1 190 ? 1.081 26.084 -3.916 0.60 47.02 ? 190 HIS a CA 1 +ATOM 26093 C C A HIS S 1 190 ? 2.448 26.384 -3.465 0.40 50.02 ? 190 HIS a C 1 +ATOM 26094 C C B HIS S 1 190 ? 2.498 26.378 -3.448 0.60 50.03 ? 190 HIS a C 1 +ATOM 26095 O O A HIS S 1 190 ? 2.607 26.772 -2.307 0.40 51.93 ? 190 HIS a O 1 +ATOM 26096 O O B HIS S 1 190 ? 2.655 26.746 -2.281 0.60 52.00 ? 190 HIS a O 1 +ATOM 26097 C CB A HIS S 1 190 ? 0.496 24.911 -3.088 0.40 43.30 ? 190 HIS a CB 1 +ATOM 26098 C CB B HIS S 1 190 ? 0.519 24.925 -3.080 0.60 43.10 ? 190 HIS a CB 1 +ATOM 26099 C CG A HIS S 1 190 ? -0.895 24.510 -3.446 0.40 49.59 ? 190 HIS a CG 1 +ATOM 26100 C CG B HIS S 1 190 ? -0.882 24.546 -3.445 0.60 49.70 ? 190 HIS a CG 1 +ATOM 26101 N ND1 A HIS S 1 190 ? -2.002 25.235 -3.058 0.40 48.22 ? 190 HIS a ND1 1 +ATOM 26102 N ND1 B HIS S 1 190 ? -1.977 25.307 -3.090 0.60 48.27 ? 190 HIS a ND1 1 +ATOM 26103 C CD2 A HIS S 1 190 ? -1.361 23.476 -4.188 0.40 44.26 ? 190 HIS a CD2 1 +ATOM 26104 C CD2 B HIS S 1 190 ? -1.365 23.499 -4.156 0.60 44.18 ? 190 HIS a CD2 1 +ATOM 26105 C CE1 A HIS S 1 190 ? -3.092 24.651 -3.523 0.40 49.05 ? 190 HIS a CE1 1 +ATOM 26106 C CE1 B HIS S 1 190 ? -3.076 24.738 -3.553 0.60 49.04 ? 190 HIS a CE1 1 +ATOM 26107 N NE2 A HIS S 1 190 ? -2.731 23.582 -4.215 0.40 49.97 ? 190 HIS a NE2 1 +ATOM 26108 N NE2 B HIS S 1 190 ? -2.732 23.639 -4.204 0.60 50.12 ? 190 HIS a NE2 1 +ATOM 26109 N N A ASN S 1 191 ? 3.470 26.214 -4.307 0.40 48.19 ? 191 ASN a N 1 +ATOM 26110 N N B ASN S 1 191 ? 3.523 26.238 -4.291 0.60 48.12 ? 191 ASN a N 1 +ATOM 26111 C CA A ASN S 1 191 ? 4.867 26.399 -3.910 0.40 54.35 ? 191 ASN a CA 1 +ATOM 26112 C CA B ASN S 1 191 ? 4.917 26.419 -3.875 0.60 54.52 ? 191 ASN a CA 1 +ATOM 26113 C C A ASN S 1 191 ? 5.158 25.612 -2.626 0.40 56.64 ? 191 ASN a C 1 +ATOM 26114 C C B ASN S 1 191 ? 5.200 25.622 -2.596 0.60 56.87 ? 191 ASN a C 1 +ATOM 26115 O O A ASN S 1 191 ? 5.621 26.155 -1.619 0.40 52.06 ? 191 ASN a O 1 +ATOM 26116 O O B ASN S 1 191 ? 5.665 26.156 -1.583 0.60 52.09 ? 191 ASN a O 1 +ATOM 26117 C CB A ASN S 1 191 ? 5.194 27.898 -3.751 0.40 50.29 ? 191 ASN a CB 1 +ATOM 26118 C CB B ASN S 1 191 ? 5.237 27.915 -3.697 0.60 50.21 ? 191 ASN a CB 1 +ATOM 26119 C CG A ASN S 1 191 ? 6.684 28.205 -3.923 0.40 54.85 ? 191 ASN a CG 1 +ATOM 26120 C CG B ASN S 1 191 ? 6.721 28.241 -3.901 0.60 54.93 ? 191 ASN a CG 1 +ATOM 26121 O OD1 A ASN S 1 191 ? 7.492 27.314 -4.163 0.40 55.57 ? 191 ASN a OD1 1 +ATOM 26122 O OD1 B ASN S 1 191 ? 7.536 27.363 -4.171 0.60 55.62 ? 191 ASN a OD1 1 +ATOM 26123 N ND2 A ASN S 1 191 ? 7.047 29.467 -3.786 0.40 55.36 ? 191 ASN a ND2 1 +ATOM 26124 N ND2 B ASN S 1 191 ? 7.068 29.515 -3.773 0.60 55.44 ? 191 ASN a ND2 1 +ATOM 26125 N N A ILE S 1 192 ? 4.857 24.306 -2.666 0.40 50.17 ? 192 ILE a N 1 +ATOM 26126 N N B ILE S 1 192 ? 4.879 24.320 -2.643 0.60 50.23 ? 192 ILE a N 1 +ATOM 26127 C CA A ILE S 1 192 ? 4.922 23.486 -1.457 0.40 49.30 ? 192 ILE a CA 1 +ATOM 26128 C CA B ILE S 1 192 ? 4.952 23.484 -1.445 0.60 49.30 ? 192 ILE a CA 1 +ATOM 26129 C C A ILE S 1 192 ? 6.346 23.429 -0.911 0.40 50.00 ? 192 ILE a C 1 +ATOM 26130 C C B ILE S 1 192 ? 6.379 23.414 -0.906 0.60 50.04 ? 192 ILE a C 1 +ATOM 26131 O O A ILE S 1 192 ? 6.548 23.323 0.303 0.40 50.00 ? 192 ILE a O 1 +ATOM 26132 O O B ILE S 1 192 ? 6.582 23.271 0.305 0.60 50.08 ? 192 ILE a O 1 +ATOM 26133 C CB A ILE S 1 192 ? 4.352 22.075 -1.726 0.40 54.26 ? 192 ILE a CB 1 +ATOM 26134 C CB B ILE S 1 192 ? 4.376 22.074 -1.725 0.60 54.42 ? 192 ILE a CB 1 +ATOM 26135 C CG1 A ILE S 1 192 ? 4.535 21.173 -0.496 0.40 48.78 ? 192 ILE a CG1 1 +ATOM 26136 C CG1 B ILE S 1 192 ? 4.601 21.150 -0.525 0.60 48.78 ? 192 ILE a CG1 1 +ATOM 26137 C CG2 A ILE S 1 192 ? 4.971 21.439 -3.010 0.40 46.67 ? 192 ILE a CG2 1 +ATOM 26138 C CG2 B ILE S 1 192 ? 4.970 21.455 -3.012 0.60 46.70 ? 192 ILE a CG2 1 +ATOM 26139 C CD1 A ILE S 1 192 ? 3.783 19.852 -0.580 0.40 43.20 ? 192 ILE a CD1 1 +ATOM 26140 C CD1 B ILE S 1 192 ? 3.759 19.905 -0.543 0.60 43.17 ? 192 ILE a CD1 1 +ATOM 26141 N N A LEU S 1 193 ? 7.356 23.531 -1.785 0.40 49.11 ? 193 LEU a N 1 +ATOM 26142 N N B LEU S 1 193 ? 7.387 23.536 -1.778 0.60 49.14 ? 193 LEU a N 1 +ATOM 26143 C CA A LEU S 1 193 ? 8.737 23.497 -1.307 0.40 50.98 ? 193 LEU a CA 1 +ATOM 26144 C CA B LEU S 1 193 ? 8.767 23.486 -1.296 0.60 51.02 ? 193 LEU a CA 1 +ATOM 26145 C C A LEU S 1 193 ? 9.027 24.633 -0.327 0.40 54.19 ? 193 LEU a C 1 +ATOM 26146 C C B LEU S 1 193 ? 9.065 24.620 -0.318 0.60 54.32 ? 193 LEU a C 1 +ATOM 26147 O O A LEU S 1 193 ? 9.804 24.459 0.618 0.40 50.55 ? 193 LEU a O 1 +ATOM 26148 O O B LEU S 1 193 ? 9.853 24.444 0.616 0.60 50.62 ? 193 LEU a O 1 +ATOM 26149 C CB A LEU S 1 193 ? 9.707 23.547 -2.488 0.40 46.78 ? 193 LEU a CB 1 +ATOM 26150 C CB B LEU S 1 193 ? 9.743 23.522 -2.473 0.60 46.72 ? 193 LEU a CB 1 +ATOM 26151 C CG A LEU S 1 193 ? 9.750 22.259 -3.332 0.40 53.17 ? 193 LEU a CG 1 +ATOM 26152 C CG B LEU S 1 193 ? 9.781 22.241 -3.327 0.60 53.35 ? 193 LEU a CG 1 +ATOM 26153 C CD1 A LEU S 1 193 ? 10.570 22.446 -4.608 0.40 42.77 ? 193 LEU a CD1 1 +ATOM 26154 C CD1 B LEU S 1 193 ? 10.676 22.398 -4.551 0.60 42.65 ? 193 LEU a CD1 1 +ATOM 26155 C CD2 A LEU S 1 193 ? 10.273 21.075 -2.497 0.40 44.33 ? 193 LEU a CD2 1 +ATOM 26156 C CD2 B LEU S 1 193 ? 10.214 21.029 -2.476 0.60 44.25 ? 193 LEU a CD2 1 +ATOM 26157 N N A MET S 1 194 ? 8.405 25.788 -0.526 0.40 51.33 ? 194 MET a N 1 +ATOM 26158 N N B MET S 1 194 ? 8.447 25.781 -0.507 0.60 51.31 ? 194 MET a N 1 +ATOM 26159 C CA A MET S 1 194 ? 8.580 26.933 0.352 0.40 54.89 ? 194 MET a CA 1 +ATOM 26160 C CA B MET S 1 194 ? 8.643 26.914 0.381 0.60 54.97 ? 194 MET a CA 1 +ATOM 26161 C C A MET S 1 194 ? 7.615 26.917 1.530 0.40 54.50 ? 194 MET a C 1 +ATOM 26162 C C B MET S 1 194 ? 7.685 26.903 1.562 0.60 54.54 ? 194 MET a C 1 +ATOM 26163 O O A MET S 1 194 ? 7.515 27.920 2.247 0.40 51.65 ? 194 MET a O 1 +ATOM 26164 O O B MET S 1 194 ? 7.606 27.898 2.287 0.60 51.77 ? 194 MET a O 1 +ATOM 26165 C CB A MET S 1 194 ? 8.427 28.233 -0.453 0.40 51.95 ? 194 MET a CB 1 +ATOM 26166 C CB B MET S 1 194 ? 8.495 28.226 -0.393 0.60 51.91 ? 194 MET a CB 1 +ATOM 26167 C CG A MET S 1 194 ? 9.559 28.472 -1.447 0.40 50.76 ? 194 MET a CG 1 +ATOM 26168 C CG B MET S 1 194 ? 9.599 28.462 -1.404 0.60 50.76 ? 194 MET a CG 1 +ATOM 26169 S SD A MET S 1 194 ? 11.168 28.695 -0.629 0.40 56.03 ? 194 MET a SD 1 +ATOM 26170 S SD B MET S 1 194 ? 11.199 28.670 -0.604 0.60 55.94 ? 194 MET a SD 1 +ATOM 26171 C CE A MET S 1 194 ? 11.129 30.459 -0.306 0.40 62.53 ? 194 MET a CE 1 +ATOM 26172 C CE B MET S 1 194 ? 11.184 30.447 -0.343 0.60 62.61 ? 194 MET a CE 1 +ATOM 26173 N N A HIS S 1 195 ? 6.884 25.785 1.748 0.40 52.29 ? 195 HIS a N 1 +ATOM 26174 N N B HIS S 1 195 ? 6.941 25.803 1.764 0.60 52.35 ? 195 HIS a N 1 +ATOM 26175 C CA A HIS S 1 195 ? 5.954 25.750 2.868 0.40 48.54 ? 195 HIS a CA 1 +ATOM 26176 C CA B HIS S 1 195 ? 5.989 25.784 2.860 0.60 48.41 ? 195 HIS a CA 1 +ATOM 26177 C C A HIS S 1 195 ? 6.614 25.070 4.057 0.40 54.83 ? 195 HIS a C 1 +ATOM 26178 C C B HIS S 1 195 ? 6.616 25.082 4.054 0.60 54.93 ? 195 HIS a C 1 +ATOM 26179 O O A HIS S 1 195 ? 7.196 23.985 3.901 0.40 51.49 ? 195 HIS a O 1 +ATOM 26180 O O B HIS S 1 195 ? 7.163 23.978 3.903 0.60 51.55 ? 195 HIS a O 1 +ATOM 26181 C CB A HIS S 1 195 ? 4.670 25.022 2.487 0.40 46.89 ? 195 HIS a CB 1 +ATOM 26182 C CB B HIS S 1 195 ? 4.701 25.083 2.442 0.60 46.67 ? 195 HIS a CB 1 +ATOM 26183 C CG A HIS S 1 195 ? 3.563 25.184 3.488 0.40 51.95 ? 195 HIS a CG 1 +ATOM 26184 C CG B HIS S 1 195 ? 3.585 25.208 3.436 0.60 52.03 ? 195 HIS a CG 1 +ATOM 26185 N ND1 A HIS S 1 195 ? 3.641 24.696 4.778 0.40 51.58 ? 195 HIS a ND1 1 +ATOM 26186 N ND1 B HIS S 1 195 ? 3.648 24.668 4.704 0.60 51.53 ? 195 HIS a ND1 1 +ATOM 26187 C CD2 A HIS S 1 195 ? 2.348 25.777 3.384 0.40 49.65 ? 195 HIS a CD2 1 +ATOM 26188 C CD2 B HIS S 1 195 ? 2.368 25.797 3.340 0.60 49.64 ? 195 HIS a CD2 1 +ATOM 26189 C CE1 A HIS S 1 195 ? 2.517 24.970 5.418 0.40 56.41 ? 195 HIS a CE1 1 +ATOM 26190 C CE1 B HIS S 1 195 ? 2.521 24.923 5.345 0.60 56.49 ? 195 HIS a CE1 1 +ATOM 26191 N NE2 A HIS S 1 195 ? 1.721 25.636 4.597 0.40 52.78 ? 195 HIS a NE2 1 +ATOM 26192 N NE2 B HIS S 1 195 ? 1.727 25.608 4.539 0.60 52.76 ? 195 HIS a NE2 1 +ATOM 26193 N N A PRO S 1 196 ? 6.584 25.671 5.248 0.40 58.18 ? 196 PRO a N 1 +ATOM 26194 N N B PRO S 1 196 ? 6.584 25.692 5.240 0.60 58.40 ? 196 PRO a N 1 +ATOM 26195 C CA A PRO S 1 196 ? 7.359 25.097 6.363 0.40 55.08 ? 196 PRO a CA 1 +ATOM 26196 C CA B PRO S 1 196 ? 7.330 25.113 6.373 0.60 55.18 ? 196 PRO a CA 1 +ATOM 26197 C C A PRO S 1 196 ? 6.855 23.746 6.816 0.40 46.85 ? 196 PRO a C 1 +ATOM 26198 C C B PRO S 1 196 ? 6.854 23.734 6.783 0.60 46.71 ? 196 PRO a C 1 +ATOM 26199 O O A PRO S 1 196 ? 7.656 22.970 7.351 0.40 52.58 ? 196 PRO a O 1 +ATOM 26200 O O B PRO S 1 196 ? 7.664 22.954 7.293 0.60 52.70 ? 196 PRO a O 1 +ATOM 26201 C CB A PRO S 1 196 ? 7.240 26.158 7.474 0.40 55.45 ? 196 PRO a CB 1 +ATOM 26202 C CB B PRO S 1 196 ? 7.135 26.144 7.502 0.60 55.40 ? 196 PRO a CB 1 +ATOM 26203 C CG A PRO S 1 196 ? 6.092 27.031 7.084 0.40 62.88 ? 196 PRO a CG 1 +ATOM 26204 C CG B PRO S 1 196 ? 6.041 27.043 7.052 0.60 63.08 ? 196 PRO a CG 1 +ATOM 26205 C CD A PRO S 1 196 ? 6.039 27.004 5.571 0.40 54.89 ? 196 PRO a CD 1 +ATOM 26206 C CD B PRO S 1 196 ? 6.061 27.035 5.542 0.60 54.81 ? 196 PRO a CD 1 +ATOM 26207 N N A PHE S 1 197 ? 5.579 23.415 6.588 0.40 49.71 ? 197 PHE a N 1 +ATOM 26208 N N B PHE S 1 197 ? 5.580 23.392 6.568 0.60 49.79 ? 197 PHE a N 1 +ATOM 26209 C CA A PHE S 1 197 ? 5.094 22.084 6.966 0.40 49.68 ? 197 PHE a CA 1 +ATOM 26210 C CA B PHE S 1 197 ? 5.123 22.059 6.965 0.60 49.60 ? 197 PHE a CA 1 +ATOM 26211 C C A PHE S 1 197 ? 5.653 20.982 6.067 0.40 52.95 ? 197 PHE a C 1 +ATOM 26212 C C B PHE S 1 197 ? 5.693 20.968 6.064 0.60 53.07 ? 197 PHE a C 1 +ATOM 26213 O O A PHE S 1 197 ? 5.874 19.860 6.548 0.40 48.76 ? 197 PHE a O 1 +ATOM 26214 O O B PHE S 1 197 ? 5.958 19.854 6.542 0.60 48.82 ? 197 PHE a O 1 +ATOM 26215 C CB A PHE S 1 197 ? 3.565 22.039 6.971 0.40 49.88 ? 197 PHE a CB 1 +ATOM 26216 C CB B PHE S 1 197 ? 3.596 21.980 6.984 0.60 49.73 ? 197 PHE a CB 1 +ATOM 26217 C CG A PHE S 1 197 ? 2.943 22.669 8.196 0.40 55.75 ? 197 PHE a CG 1 +ATOM 26218 C CG B PHE S 1 197 ? 2.969 22.624 8.186 0.60 55.75 ? 197 PHE a CG 1 +ATOM 26219 C CD1 A PHE S 1 197 ? 3.729 23.348 9.119 0.40 54.55 ? 197 PHE a CD1 1 +ATOM 26220 C CD1 B PHE S 1 197 ? 3.729 23.378 9.066 0.60 54.56 ? 197 PHE a CD1 1 +ATOM 26221 C CD2 A PHE S 1 197 ? 1.587 22.572 8.431 0.40 58.39 ? 197 PHE a CD2 1 +ATOM 26222 C CD2 B PHE S 1 197 ? 1.620 22.463 8.449 0.60 58.43 ? 197 PHE a CD2 1 +ATOM 26223 C CE1 A PHE S 1 197 ? 3.169 23.925 10.237 0.40 56.89 ? 197 PHE a CE1 1 +ATOM 26224 C CE1 B PHE S 1 197 ? 3.151 23.971 10.168 0.60 56.79 ? 197 PHE a CE1 1 +ATOM 26225 C CE2 A PHE S 1 197 ? 1.019 23.153 9.562 0.40 59.43 ? 197 PHE a CE2 1 +ATOM 26226 C CE2 B PHE S 1 197 ? 1.037 23.051 9.559 0.60 59.37 ? 197 PHE a CE2 1 +ATOM 26227 C CZ A PHE S 1 197 ? 1.816 23.825 10.456 0.40 57.30 ? 197 PHE a CZ 1 +ATOM 26228 C CZ B PHE S 1 197 ? 1.807 23.806 10.416 0.60 57.28 ? 197 PHE a CZ 1 +ATOM 26229 N N A HIS S 1 198 ? 5.874 21.260 4.770 0.40 51.63 ? 198 HIS a N 1 +ATOM 26230 N N B HIS S 1 198 ? 5.887 21.250 4.769 0.60 51.71 ? 198 HIS a N 1 +ATOM 26231 C CA A HIS S 1 198 ? 6.581 20.286 3.930 0.40 49.61 ? 198 HIS a CA 1 +ATOM 26232 C CA B HIS S 1 198 ? 6.591 20.282 3.926 0.60 49.63 ? 198 HIS a CA 1 +ATOM 26233 C C A HIS S 1 198 ? 8.046 20.197 4.338 0.40 50.61 ? 198 HIS a C 1 +ATOM 26234 C C B HIS S 1 198 ? 8.060 20.204 4.314 0.60 50.70 ? 198 HIS a C 1 +ATOM 26235 O O A HIS S 1 198 ? 8.635 19.112 4.322 0.40 50.87 ? 198 HIS a O 1 +ATOM 26236 O O B HIS S 1 198 ? 8.663 19.126 4.269 0.60 51.08 ? 198 HIS a O 1 +ATOM 26237 C CB A HIS S 1 198 ? 6.460 20.646 2.435 0.40 44.98 ? 198 HIS a CB 1 +ATOM 26238 C CB B HIS S 1 198 ? 6.460 20.633 2.433 0.60 44.90 ? 198 HIS a CB 1 +ATOM 26239 C CG A HIS S 1 198 ? 7.206 19.716 1.515 0.40 48.51 ? 198 HIS a CG 1 +ATOM 26240 C CG B HIS S 1 198 ? 7.193 19.684 1.523 0.60 48.62 ? 198 HIS a CG 1 +ATOM 26241 N ND1 A HIS S 1 198 ? 8.466 19.999 1.026 0.40 43.68 ? 198 HIS a ND1 1 +ATOM 26242 N ND1 B HIS S 1 198 ? 8.476 19.921 1.075 0.60 43.72 ? 198 HIS a ND1 1 +ATOM 26243 C CD2 A HIS S 1 198 ? 6.875 18.500 1.009 0.40 40.94 ? 198 HIS a CD2 1 +ATOM 26244 C CD2 B HIS S 1 198 ? 6.825 18.491 0.991 0.60 40.80 ? 198 HIS a CD2 1 +ATOM 26245 C CE1 A HIS S 1 198 ? 8.877 19.001 0.257 0.40 45.50 ? 198 HIS a CE1 1 +ATOM 26246 C CE1 B HIS S 1 198 ? 8.865 18.920 0.302 0.60 45.58 ? 198 HIS a CE1 1 +ATOM 26247 N NE2 A HIS S 1 198 ? 7.930 18.078 0.226 0.40 47.28 ? 198 HIS a NE2 1 +ATOM 26248 N NE2 B HIS S 1 198 ? 7.884 18.034 0.236 0.60 47.37 ? 198 HIS a NE2 1 +ATOM 26249 N N . GLN S 1 199 ? 8.649 21.342 4.696 1.00 45.78 ? 199 GLN a N 1 +ATOM 26250 C CA . GLN S 1 199 ? 10.031 21.343 5.165 1.00 55.75 ? 199 GLN a CA 1 +ATOM 26251 C C . GLN S 1 199 ? 10.185 20.536 6.452 1.00 51.24 ? 199 GLN a C 1 +ATOM 26252 O O . GLN S 1 199 ? 11.178 19.819 6.631 1.00 52.33 ? 199 GLN a O 1 +ATOM 26253 C CB . GLN S 1 199 ? 10.511 22.783 5.368 1.00 50.64 ? 199 GLN a CB 1 +ATOM 26254 C CG . GLN S 1 199 ? 10.588 23.564 4.074 1.00 49.85 ? 199 GLN a CG 1 +ATOM 26255 C CD . GLN S 1 199 ? 10.643 25.053 4.283 1.00 59.40 ? 199 GLN a CD 1 +ATOM 26256 O OE1 . GLN S 1 199 ? 10.809 25.526 5.408 1.00 55.42 ? 199 GLN a OE1 1 +ATOM 26257 N NE2 . GLN S 1 199 ? 10.499 25.814 3.192 1.00 57.28 ? 199 GLN a NE2 1 +ATOM 26258 N N . LEU S 1 200 ? 9.210 20.634 7.358 1.00 49.63 ? 200 LEU a N 1 +ATOM 26259 C CA . LEU S 1 200 ? 9.250 19.798 8.550 1.00 51.72 ? 200 LEU a CA 1 +ATOM 26260 C C . LEU S 1 200 ? 9.065 18.340 8.179 1.00 55.29 ? 200 LEU a C 1 +ATOM 26261 O O . LEU S 1 200 ? 9.660 17.450 8.805 1.00 52.02 ? 200 LEU a O 1 +ATOM 26262 C CB . LEU S 1 200 ? 8.187 20.246 9.560 1.00 49.73 ? 200 LEU a CB 1 +ATOM 26263 C CG . LEU S 1 200 ? 8.539 21.526 10.340 1.00 63.85 ? 200 LEU a CG 1 +ATOM 26264 C CD1 . LEU S 1 200 ? 7.314 22.126 11.024 1.00 55.64 ? 200 LEU a CD1 1 +ATOM 26265 C CD2 . LEU S 1 200 ? 9.639 21.244 11.349 1.00 57.74 ? 200 LEU a CD2 1 +ATOM 26266 N N . GLY S 1 201 ? 8.245 18.082 7.158 1.00 51.79 ? 201 GLY a N 1 +ATOM 26267 C CA . GLY S 1 201 ? 8.077 16.722 6.666 1.00 43.75 ? 201 GLY a CA 1 +ATOM 26268 C C . GLY S 1 201 ? 9.370 16.143 6.131 1.00 45.53 ? 201 GLY a C 1 +ATOM 26269 O O . GLY S 1 201 ? 9.694 14.988 6.400 1.00 50.86 ? 201 GLY a O 1 +ATOM 26270 N N . VAL S 1 202 ? 10.132 16.936 5.369 1.00 47.21 ? 202 VAL a N 1 +ATOM 26271 C CA . VAL S 1 202 ? 11.425 16.464 4.875 1.00 48.12 ? 202 VAL a CA 1 +ATOM 26272 C C . VAL S 1 202 ? 12.347 16.129 6.046 1.00 53.40 ? 202 VAL a C 1 +ATOM 26273 O O . VAL S 1 202 ? 12.996 15.075 6.066 1.00 50.97 ? 202 VAL a O 1 +ATOM 26274 C CB . VAL S 1 202 ? 12.062 17.505 3.942 1.00 44.58 ? 202 VAL a CB 1 +ATOM 26275 C CG1 . VAL S 1 202 ? 13.498 17.119 3.637 1.00 46.45 ? 202 VAL a CG1 1 +ATOM 26276 C CG2 . VAL S 1 202 ? 11.228 17.663 2.674 1.00 45.74 ? 202 VAL a CG2 1 +ATOM 26277 N N A ALA S 1 203 ? 12.427 17.031 7.035 0.40 52.82 ? 203 ALA a N 1 +ATOM 26278 N N B ALA S 1 203 ? 12.413 17.029 7.036 0.60 52.93 ? 203 ALA a N 1 +ATOM 26279 C CA A ALA S 1 203 ? 13.168 16.765 8.264 0.40 53.63 ? 203 ALA a CA 1 +ATOM 26280 C CA B ALA S 1 203 ? 13.187 16.759 8.246 0.60 53.66 ? 203 ALA a CA 1 +ATOM 26281 C C A ALA S 1 203 ? 12.705 15.468 8.914 0.40 50.85 ? 203 ALA a C 1 +ATOM 26282 C C B ALA S 1 203 ? 12.745 15.460 8.900 0.60 50.87 ? 203 ALA a C 1 +ATOM 26283 O O A ALA S 1 203 ? 13.524 14.674 9.393 0.40 51.73 ? 203 ALA a O 1 +ATOM 26284 O O B ALA S 1 203 ? 13.576 14.685 9.384 0.60 51.84 ? 203 ALA a O 1 +ATOM 26285 C CB A ALA S 1 203 ? 13.009 17.940 9.235 0.40 51.22 ? 203 ALA a CB 1 +ATOM 26286 C CB B ALA S 1 203 ? 13.049 17.926 9.226 0.60 51.15 ? 203 ALA a CB 1 +ATOM 26287 N N A GLY S 1 204 ? 11.392 15.231 8.931 0.40 50.39 ? 204 GLY a N 1 +ATOM 26288 N N B GLY S 1 204 ? 11.438 15.200 8.917 0.60 50.47 ? 204 GLY a N 1 +ATOM 26289 C CA A GLY S 1 204 ? 10.886 13.975 9.461 0.40 43.70 ? 204 GLY a CA 1 +ATOM 26290 C CA B GLY S 1 204 ? 10.952 13.944 9.466 0.60 43.46 ? 204 GLY a CA 1 +ATOM 26291 C C A GLY S 1 204 ? 11.455 12.756 8.751 0.40 50.36 ? 204 GLY a C 1 +ATOM 26292 C C B GLY S 1 204 ? 11.530 12.729 8.759 0.60 50.52 ? 204 GLY a C 1 +ATOM 26293 O O A GLY S 1 204 ? 11.953 11.833 9.403 0.40 45.85 ? 204 GLY a O 1 +ATOM 26294 O O B GLY S 1 204 ? 12.084 11.831 9.407 0.60 45.68 ? 204 GLY a O 1 +ATOM 26295 N N A VAL S 1 205 ? 11.387 12.727 7.399 0.40 46.38 ? 205 VAL a N 1 +ATOM 26296 N N B VAL S 1 205 ? 11.425 12.685 7.415 0.60 46.41 ? 205 VAL a N 1 +ATOM 26297 C CA A VAL S 1 205 ? 11.777 11.497 6.702 0.40 46.59 ? 205 VAL a CA 1 +ATOM 26298 C CA B VAL S 1 205 ? 11.801 11.456 6.709 0.60 46.59 ? 205 VAL a CA 1 +ATOM 26299 C C A VAL S 1 205 ? 13.297 11.413 6.516 0.40 48.57 ? 205 VAL a C 1 +ATOM 26300 C C B VAL S 1 205 ? 13.319 11.365 6.530 0.60 48.64 ? 205 VAL a C 1 +ATOM 26301 O O A VAL S 1 205 ? 13.878 10.328 6.645 0.40 50.25 ? 205 VAL a O 1 +ATOM 26302 O O B VAL S 1 205 ? 13.899 10.282 6.676 0.60 50.38 ? 205 VAL a O 1 +ATOM 26303 C CB A VAL S 1 205 ? 11.015 11.304 5.364 0.40 49.51 ? 205 VAL a CB 1 +ATOM 26304 C CB B VAL S 1 205 ? 11.040 11.304 5.369 0.60 49.59 ? 205 VAL a CB 1 +ATOM 26305 C CG1 A VAL S 1 205 ? 9.508 11.311 5.587 0.40 46.85 ? 205 VAL a CG1 1 +ATOM 26306 C CG1 B VAL S 1 205 ? 9.532 11.256 5.602 0.60 46.88 ? 205 VAL a CG1 1 +ATOM 26307 C CG2 A VAL S 1 205 ? 11.425 12.303 4.290 0.40 51.22 ? 205 VAL a CG2 1 +ATOM 26308 C CG2 B VAL S 1 205 ? 11.384 12.399 4.383 0.60 51.58 ? 205 VAL a CG2 1 +ATOM 26309 N N A PHE S 1 206 ? 13.970 12.534 6.232 0.40 43.83 ? 206 PHE a N 1 +ATOM 26310 N N B PHE S 1 206 ? 13.988 12.489 6.244 0.60 43.69 ? 206 PHE a N 1 +ATOM 26311 C CA A PHE S 1 206 ? 15.435 12.537 6.251 0.40 48.09 ? 206 PHE a CA 1 +ATOM 26312 C CA B PHE S 1 206 ? 15.451 12.515 6.282 0.60 48.10 ? 206 PHE a CA 1 +ATOM 26313 C C A PHE S 1 206 ? 15.955 12.141 7.628 0.40 47.64 ? 206 PHE a C 1 +ATOM 26314 C C B PHE S 1 206 ? 15.964 12.130 7.667 0.60 47.62 ? 206 PHE a C 1 +ATOM 26315 O O A PHE S 1 206 ? 16.889 11.338 7.750 0.40 47.80 ? 206 PHE a O 1 +ATOM 26316 O O B PHE S 1 206 ? 16.899 11.331 7.797 0.60 47.86 ? 206 PHE a O 1 +ATOM 26317 C CB A PHE S 1 206 ? 15.982 13.922 5.888 0.40 46.05 ? 206 PHE a CB 1 +ATOM 26318 C CB B PHE S 1 206 ? 15.977 13.904 5.901 0.60 45.96 ? 206 PHE a CB 1 +ATOM 26319 C CG A PHE S 1 206 ? 16.142 14.179 4.413 0.40 49.56 ? 206 PHE a CG 1 +ATOM 26320 C CG B PHE S 1 206 ? 16.166 14.122 4.423 0.60 49.51 ? 206 PHE a CG 1 +ATOM 26321 C CD1 A PHE S 1 206 ? 15.841 13.207 3.467 0.40 49.92 ? 206 PHE a CD1 1 +ATOM 26322 C CD1 B PHE S 1 206 ? 15.862 13.125 3.503 0.60 49.99 ? 206 PHE a CD1 1 +ATOM 26323 C CD2 A PHE S 1 206 ? 16.610 15.424 3.978 0.40 50.69 ? 206 PHE a CD2 1 +ATOM 26324 C CD2 B PHE S 1 206 ? 16.659 15.339 3.953 0.60 50.81 ? 206 PHE a CD2 1 +ATOM 26325 C CE1 A PHE S 1 206 ? 16.011 13.461 2.106 0.40 51.87 ? 206 PHE a CE1 1 +ATOM 26326 C CE1 B PHE S 1 206 ? 16.050 13.330 2.139 0.60 51.76 ? 206 PHE a CE1 1 +ATOM 26327 C CE2 A PHE S 1 206 ? 16.782 15.695 2.629 0.40 54.71 ? 206 PHE a CE2 1 +ATOM 26328 C CE2 B PHE S 1 206 ? 16.848 15.554 2.593 0.60 55.00 ? 206 PHE a CE2 1 +ATOM 26329 C CZ A PHE S 1 206 ? 16.487 14.713 1.683 0.40 57.48 ? 206 PHE a CZ 1 +ATOM 26330 C CZ B PHE S 1 206 ? 16.544 14.547 1.684 0.60 57.75 ? 206 PHE a CZ 1 +ATOM 26331 N N A GLY S 1 207 ? 15.368 12.721 8.682 0.40 46.07 ? 207 GLY a N 1 +ATOM 26332 N N B GLY S 1 207 ? 15.361 12.704 8.718 0.60 46.08 ? 207 GLY a N 1 +ATOM 26333 C CA A GLY S 1 207 ? 15.796 12.399 10.032 0.40 46.14 ? 207 GLY a CA 1 +ATOM 26334 C CA B GLY S 1 207 ? 15.768 12.370 10.077 0.60 45.96 ? 207 GLY a CA 1 +ATOM 26335 C C A GLY S 1 207 ? 15.437 10.982 10.422 0.40 50.74 ? 207 GLY a C 1 +ATOM 26336 C C B GLY S 1 207 ? 15.415 10.945 10.455 0.60 50.92 ? 207 GLY a C 1 +ATOM 26337 O O A GLY S 1 207 ? 16.244 10.274 11.037 0.40 49.46 ? 207 GLY a O 1 +ATOM 26338 O O B GLY S 1 207 ? 16.217 10.239 11.077 0.60 49.46 ? 207 GLY a O 1 +ATOM 26339 N N A GLY S 1 208 ? 14.234 10.536 10.049 0.40 49.93 ? 208 GLY a N 1 +ATOM 26340 N N B GLY S 1 208 ? 14.217 10.495 10.069 0.60 50.08 ? 208 GLY a N 1 +ATOM 26341 C CA A GLY S 1 208 ? 13.873 9.143 10.285 0.40 43.50 ? 208 GLY a CA 1 +ATOM 26342 C CA B GLY S 1 208 ? 13.868 9.097 10.269 0.60 43.30 ? 208 GLY a CA 1 +ATOM 26343 C C A GLY S 1 208 ? 14.860 8.176 9.655 0.40 52.27 ? 208 GLY a C 1 +ATOM 26344 C C B GLY S 1 208 ? 14.873 8.150 9.643 0.60 52.42 ? 208 GLY a C 1 +ATOM 26345 O O A GLY S 1 208 ? 15.285 7.209 10.290 0.40 50.20 ? 208 GLY a O 1 +ATOM 26346 O O B GLY S 1 208 ? 15.278 7.162 10.258 0.60 50.22 ? 208 GLY a O 1 +ATOM 26347 N N A ALA S 1 209 ? 15.265 8.447 8.408 0.40 46.55 ? 209 ALA a N 1 +ATOM 26348 N N B ALA S 1 209 ? 15.311 8.453 8.417 0.60 46.46 ? 209 ALA a N 1 +ATOM 26349 C CA A ALA S 1 209 ? 16.222 7.575 7.734 0.40 50.63 ? 209 ALA a CA 1 +ATOM 26350 C CA B ALA S 1 209 ? 16.273 7.583 7.749 0.60 50.74 ? 209 ALA a CA 1 +ATOM 26351 C C A ALA S 1 209 ? 17.574 7.607 8.432 0.40 49.68 ? 209 ALA a C 1 +ATOM 26352 C C B ALA S 1 209 ? 17.629 7.634 8.442 0.60 49.75 ? 209 ALA a C 1 +ATOM 26353 O O A ALA S 1 209 ? 18.210 6.563 8.611 0.40 48.54 ? 209 ALA a O 1 +ATOM 26354 O O B ALA S 1 209 ? 18.273 6.594 8.632 0.60 48.70 ? 209 ALA a O 1 +ATOM 26355 C CB A ALA S 1 209 ? 16.373 7.977 6.260 0.40 46.09 ? 209 ALA a CB 1 +ATOM 26356 C CB B ALA S 1 209 ? 16.408 7.969 6.271 0.60 46.06 ? 209 ALA a CB 1 +ATOM 26357 N N A LEU S 1 210 ? 18.043 8.805 8.783 0.40 47.76 ? 210 LEU a N 1 +ATOM 26358 N N B LEU S 1 210 ? 18.088 8.838 8.793 0.60 47.81 ? 210 LEU a N 1 +ATOM 26359 C CA A LEU S 1 210 ? 19.290 8.957 9.533 0.40 56.23 ? 210 LEU a CA 1 +ATOM 26360 C CA B LEU S 1 210 ? 19.342 8.989 9.532 0.60 56.51 ? 210 LEU a CA 1 +ATOM 26361 C C A LEU S 1 210 ? 19.234 8.192 10.858 0.40 49.27 ? 210 LEU a C 1 +ATOM 26362 C C B LEU S 1 210 ? 19.301 8.208 10.839 0.60 49.20 ? 210 LEU a C 1 +ATOM 26363 O O A LEU S 1 210 ? 20.136 7.407 11.177 0.40 50.32 ? 210 LEU a O 1 +ATOM 26364 O O B LEU S 1 210 ? 20.210 7.424 11.140 0.60 50.33 ? 210 LEU a O 1 +ATOM 26365 C CB A LEU S 1 210 ? 19.564 10.458 9.771 0.40 53.02 ? 210 LEU a CB 1 +ATOM 26366 C CB B LEU S 1 210 ? 19.619 10.479 9.808 0.60 53.02 ? 210 LEU a CB 1 +ATOM 26367 C CG A LEU S 1 210 ? 20.931 11.042 10.183 0.40 57.85 ? 210 LEU a CG 1 +ATOM 26368 C CG B LEU S 1 210 ? 21.027 11.001 10.154 0.60 58.05 ? 210 LEU a CG 1 +ATOM 26369 C CD1 A LEU S 1 210 ? 20.874 12.569 10.322 0.40 54.56 ? 210 LEU a CD1 1 +ATOM 26370 C CD1 B LEU S 1 210 ? 21.021 12.522 10.269 0.60 54.38 ? 210 LEU a CD1 1 +ATOM 26371 C CD2 A LEU S 1 210 ? 21.475 10.448 11.485 0.40 52.05 ? 210 LEU a CD2 1 +ATOM 26372 C CD2 B LEU S 1 210 ? 21.619 10.411 11.427 0.60 51.82 ? 210 LEU a CD2 1 +ATOM 26373 N N A PHE S 1 211 ? 18.175 8.397 11.644 0.40 51.58 ? 211 PHE a N 1 +ATOM 26374 N N B PHE S 1 211 ? 18.246 8.407 11.632 0.60 51.64 ? 211 PHE a N 1 +ATOM 26375 C CA A PHE S 1 211 ? 18.131 7.753 12.956 0.40 56.89 ? 211 PHE a CA 1 +ATOM 26376 C CA B PHE S 1 211 ? 18.177 7.738 12.927 0.60 57.03 ? 211 PHE a CA 1 +ATOM 26377 C C A PHE S 1 211 ? 17.932 6.254 12.828 0.40 59.45 ? 211 PHE a C 1 +ATOM 26378 C C B PHE S 1 211 ? 18.001 6.238 12.766 0.60 59.69 ? 211 PHE a C 1 +ATOM 26379 O O A PHE S 1 211 ? 18.404 5.487 13.682 0.40 53.41 ? 211 PHE a O 1 +ATOM 26380 O O B PHE S 1 211 ? 18.485 5.463 13.605 0.60 53.30 ? 211 PHE a O 1 +ATOM 26381 C CB A PHE S 1 211 ? 17.045 8.392 13.818 0.40 49.83 ? 211 PHE a CB 1 +ATOM 26382 C CB B PHE S 1 211 ? 17.054 8.345 13.766 0.60 49.62 ? 211 PHE a CB 1 +ATOM 26383 C CG A PHE S 1 211 ? 17.282 9.858 14.069 0.40 56.86 ? 211 PHE a CG 1 +ATOM 26384 C CG B PHE S 1 211 ? 17.248 9.807 14.038 0.60 56.86 ? 211 PHE a CG 1 +ATOM 26385 C CD1 A PHE S 1 211 ? 18.553 10.320 14.366 0.40 58.28 ? 211 PHE a CD1 1 +ATOM 26386 C CD1 B PHE S 1 211 ? 18.516 10.307 14.286 0.60 58.22 ? 211 PHE a CD1 1 +ATOM 26387 C CD2 A PHE S 1 211 ? 16.247 10.775 13.980 0.40 58.42 ? 211 PHE a CD2 1 +ATOM 26388 C CD2 B PHE S 1 211 ? 16.177 10.689 14.020 0.60 58.62 ? 211 PHE a CD2 1 +ATOM 26389 C CE1 A PHE S 1 211 ? 18.779 11.664 14.582 0.40 57.04 ? 211 PHE a CE1 1 +ATOM 26390 C CE1 B PHE S 1 211 ? 18.709 11.651 14.523 0.60 56.89 ? 211 PHE a CE1 1 +ATOM 26391 C CE2 A PHE S 1 211 ? 16.469 12.115 14.179 0.40 49.69 ? 211 PHE a CE2 1 +ATOM 26392 C CE2 B PHE S 1 211 ? 16.367 12.039 14.252 0.60 49.43 ? 211 PHE a CE2 1 +ATOM 26393 C CZ A PHE S 1 211 ? 17.734 12.561 14.483 0.40 59.15 ? 211 PHE a CZ 1 +ATOM 26394 C CZ B PHE S 1 211 ? 17.632 12.518 14.502 0.60 59.11 ? 211 PHE a CZ 1 +ATOM 26395 N N A CYS S 1 212 ? 17.257 5.823 11.761 0.40 51.15 ? 212 CYS a N 1 +ATOM 26396 N N B CYS S 1 212 ? 17.331 5.815 11.691 0.60 51.01 ? 212 CYS a N 1 +ATOM 26397 C CA A CYS S 1 212 ? 17.167 4.405 11.446 0.40 48.06 ? 212 CYS a CA 1 +ATOM 26398 C CA B CYS S 1 212 ? 17.200 4.393 11.412 0.60 48.00 ? 212 CYS a CA 1 +ATOM 26399 C C A CYS S 1 212 ? 18.555 3.795 11.274 0.40 50.83 ? 212 CYS a C 1 +ATOM 26400 C C B CYS S 1 212 ? 18.572 3.754 11.250 0.60 50.93 ? 212 CYS a C 1 +ATOM 26401 O O A CYS S 1 212 ? 18.898 2.795 11.916 0.40 47.78 ? 212 CYS a O 1 +ATOM 26402 O O B CYS S 1 212 ? 18.905 2.779 11.933 0.60 47.72 ? 212 CYS a O 1 +ATOM 26403 C CB A CYS S 1 212 ? 16.325 4.229 10.175 0.40 45.15 ? 212 CYS a CB 1 +ATOM 26404 C CB B CYS S 1 212 ? 16.342 4.189 10.156 0.60 45.02 ? 212 CYS a CB 1 +ATOM 26405 S SG A CYS S 1 212 ? 16.019 2.525 9.713 0.40 48.60 ? 212 CYS a SG 1 +ATOM 26406 S SG B CYS S 1 212 ? 15.984 2.476 9.737 0.60 48.59 ? 212 CYS a SG 1 +ATOM 26407 N N A ALA S 1 213 ? 19.366 4.379 10.390 0.40 51.29 ? 213 ALA a N 1 +ATOM 26408 N N B ALA S 1 213 ? 19.390 4.304 10.350 0.60 51.47 ? 213 ALA a N 1 +ATOM 26409 C CA A ALA S 1 213 ? 20.695 3.832 10.144 0.40 50.51 ? 213 ALA a CA 1 +ATOM 26410 C CA B ALA S 1 213 ? 20.727 3.760 10.139 0.60 50.43 ? 213 ALA a CA 1 +ATOM 26411 C C A ALA S 1 213 ? 21.551 3.925 11.398 0.40 51.60 ? 213 ALA a C 1 +ATOM 26412 C C B ALA S 1 213 ? 21.566 3.877 11.404 0.60 51.56 ? 213 ALA a C 1 +ATOM 26413 O O A ALA S 1 213 ? 22.327 3.014 11.707 0.40 56.27 ? 213 ALA a O 1 +ATOM 26414 O O B ALA S 1 213 ? 22.345 2.975 11.731 0.60 56.52 ? 213 ALA a O 1 +ATOM 26415 C CB A ALA S 1 213 ? 21.355 4.574 8.983 0.40 45.92 ? 213 ALA a CB 1 +ATOM 26416 C CB B ALA S 1 213 ? 21.401 4.484 8.973 0.60 45.97 ? 213 ALA a CB 1 +ATOM 26417 N N A MET S 1 214 ? 21.395 5.016 12.144 0.40 52.57 ? 214 MET a N 1 +ATOM 26418 N N B MET S 1 214 ? 21.409 4.986 12.129 0.60 52.56 ? 214 MET a N 1 +ATOM 26419 C CA A MET S 1 214 ? 22.194 5.250 13.339 0.40 52.82 ? 214 MET a CA 1 +ATOM 26420 C CA B MET S 1 214 ? 22.193 5.236 13.332 0.60 52.70 ? 214 MET a CA 1 +ATOM 26421 C C A MET S 1 214 ? 21.899 4.203 14.402 0.40 55.98 ? 214 MET a C 1 +ATOM 26422 C C B MET S 1 214 ? 21.917 4.178 14.387 0.60 56.02 ? 214 MET a C 1 +ATOM 26423 O O A MET S 1 214 ? 22.808 3.544 14.922 0.40 53.68 ? 214 MET a O 1 +ATOM 26424 O O B MET S 1 214 ? 22.828 3.490 14.855 0.60 53.64 ? 214 MET a O 1 +ATOM 26425 C CB A MET S 1 214 ? 21.887 6.652 13.857 0.40 58.14 ? 214 MET a CB 1 +ATOM 26426 C CB B MET S 1 214 ? 21.862 6.628 13.876 0.60 58.09 ? 214 MET a CB 1 +ATOM 26427 C CG A MET S 1 214 ? 22.931 7.216 14.770 0.40 73.79 ? 214 MET a CG 1 +ATOM 26428 C CG B MET S 1 214 ? 22.933 7.217 14.766 0.60 73.97 ? 214 MET a CG 1 +ATOM 26429 S SD A MET S 1 214 ? 24.321 7.822 13.808 0.40 77.94 ? 214 MET a SD 1 +ATOM 26430 S SD B MET S 1 214 ? 24.329 7.821 13.791 0.60 78.29 ? 214 MET a SD 1 +ATOM 26431 C CE A MET S 1 214 ? 25.544 7.841 15.122 0.40 76.06 ? 214 MET a CE 1 +ATOM 26432 C CE B MET S 1 214 ? 25.593 7.800 15.064 0.60 76.19 ? 214 MET a CE 1 +ATOM 26433 N N A HIS S 1 215 ? 20.620 4.035 14.735 0.40 52.46 ? 215 HIS a N 1 +ATOM 26434 N N B HIS S 1 215 ? 20.650 4.047 14.780 0.60 52.42 ? 215 HIS a N 1 +ATOM 26435 C CA A HIS S 1 215 ? 20.241 3.030 15.709 0.40 46.28 ? 215 HIS a CA 1 +ATOM 26436 C CA B HIS S 1 215 ? 20.266 3.024 15.738 0.60 45.99 ? 215 HIS a CA 1 +ATOM 26437 C C A HIS S 1 215 ? 20.615 1.636 15.229 0.40 56.91 ? 215 HIS a C 1 +ATOM 26438 C C B HIS S 1 215 ? 20.673 1.638 15.258 0.60 57.09 ? 215 HIS a C 1 +ATOM 26439 O O A HIS S 1 215 ? 21.114 0.810 16.007 0.40 58.47 ? 215 HIS a O 1 +ATOM 26440 O O B HIS S 1 215 ? 21.164 0.816 16.045 0.60 58.64 ? 215 HIS a O 1 +ATOM 26441 C CB A HIS S 1 215 ? 18.746 3.113 15.986 0.40 50.08 ? 215 HIS a CB 1 +ATOM 26442 C CB B HIS S 1 215 ? 18.762 3.092 15.979 0.60 49.94 ? 215 HIS a CB 1 +ATOM 26443 C CG A HIS S 1 215 ? 18.279 2.151 17.033 0.40 56.24 ? 215 HIS a CG 1 +ATOM 26444 C CG B HIS S 1 215 ? 18.269 2.119 17.003 0.60 56.23 ? 215 HIS a CG 1 +ATOM 26445 N ND1 A HIS S 1 215 ? 18.778 2.154 18.318 0.40 55.04 ? 215 HIS a ND1 1 +ATOM 26446 N ND1 B HIS S 1 215 ? 18.798 2.041 18.274 0.60 54.86 ? 215 HIS a ND1 1 +ATOM 26447 C CD2 A HIS S 1 215 ? 17.368 1.150 16.984 0.40 55.45 ? 215 HIS a CD2 1 +ATOM 26448 C CD2 B HIS S 1 215 ? 17.290 1.185 16.945 0.60 55.46 ? 215 HIS a CD2 1 +ATOM 26449 C CE1 A HIS S 1 215 ? 18.195 1.199 19.016 0.40 58.10 ? 215 HIS a CE1 1 +ATOM 26450 C CE1 B HIS S 1 215 ? 18.169 1.100 18.952 0.60 58.06 ? 215 HIS a CE1 1 +ATOM 26451 N NE2 A HIS S 1 215 ? 17.327 0.582 18.236 0.40 57.40 ? 215 HIS a NE2 1 +ATOM 26452 N NE2 B HIS S 1 215 ? 17.246 0.569 18.171 0.60 57.56 ? 215 HIS a NE2 1 +ATOM 26453 N N A GLY S 1 216 ? 20.376 1.348 13.951 0.40 55.07 ? 216 GLY a N 1 +ATOM 26454 N N B GLY S 1 216 ? 20.488 1.359 13.968 0.60 55.17 ? 216 GLY a N 1 +ATOM 26455 C CA A GLY S 1 216 ? 20.756 0.052 13.431 0.40 48.99 ? 216 GLY a CA 1 +ATOM 26456 C CA B GLY S 1 216 ? 20.848 0.052 13.454 0.60 48.90 ? 216 GLY a CA 1 +ATOM 26457 C C A GLY S 1 216 ? 22.250 -0.196 13.531 0.40 57.10 ? 216 GLY a C 1 +ATOM 26458 C C B GLY S 1 216 ? 22.340 -0.212 13.521 0.60 57.24 ? 216 GLY a C 1 +ATOM 26459 O O A GLY S 1 216 ? 22.682 -1.292 13.895 0.40 58.38 ? 216 GLY a O 1 +ATOM 26460 O O B GLY S 1 216 ? 22.768 -1.309 13.893 0.60 58.50 ? 216 GLY a O 1 +ATOM 26461 N N A SER S 1 217 ? 23.062 0.817 13.211 0.40 48.91 ? 217 SER a N 1 +ATOM 26462 N N B SER S 1 217 ? 23.156 0.786 13.166 0.60 48.81 ? 217 SER a N 1 +ATOM 26463 C CA A SER S 1 217 ? 24.508 0.611 13.215 0.40 55.93 ? 217 SER a CA 1 +ATOM 26464 C CA B SER S 1 217 ? 24.604 0.584 13.178 0.60 56.01 ? 217 SER a CA 1 +ATOM 26465 C C A SER S 1 217 ? 25.089 0.588 14.628 0.40 55.03 ? 217 SER a C 1 +ATOM 26466 C C B SER S 1 217 ? 25.161 0.510 14.597 0.60 55.06 ? 217 SER a C 1 +ATOM 26467 O O A SER S 1 217 ? 26.129 -0.039 14.849 0.40 53.06 ? 217 SER a O 1 +ATOM 26468 O O B SER S 1 217 ? 26.160 -0.182 14.832 0.60 52.79 ? 217 SER a O 1 +ATOM 26469 C CB A SER S 1 217 ? 25.212 1.686 12.370 0.40 48.74 ? 217 SER a CB 1 +ATOM 26470 C CB B SER S 1 217 ? 25.305 1.697 12.390 0.60 48.58 ? 217 SER a CB 1 +ATOM 26471 O OG A SER S 1 217 ? 25.202 2.941 13.034 0.40 56.29 ? 217 SER a OG 1 +ATOM 26472 O OG B SER S 1 217 ? 25.053 2.972 12.972 0.60 56.48 ? 217 SER a OG 1 +ATOM 26473 N N A LEU S 1 218 ? 24.448 1.250 15.595 0.40 51.53 ? 218 LEU a N 1 +ATOM 26474 N N B LEU S 1 218 ? 24.534 1.198 15.557 0.60 51.48 ? 218 LEU a N 1 +ATOM 26475 C CA A LEU S 1 218 ? 24.996 1.256 16.953 0.40 56.91 ? 218 LEU a CA 1 +ATOM 26476 C CA B LEU S 1 218 ? 25.068 1.204 16.918 0.60 56.87 ? 218 LEU a CA 1 +ATOM 26477 C C A LEU S 1 218 ? 24.719 -0.062 17.668 0.40 55.21 ? 218 LEU a C 1 +ATOM 26478 C C B LEU S 1 218 ? 24.785 -0.113 17.634 0.60 55.15 ? 218 LEU a C 1 +ATOM 26479 O O A LEU S 1 218 ? 25.612 -0.629 18.305 0.40 56.53 ? 218 LEU a O 1 +ATOM 26480 O O B LEU S 1 218 ? 25.680 -0.694 18.256 0.60 56.45 ? 218 LEU a O 1 +ATOM 26481 C CB A LEU S 1 218 ? 24.446 2.447 17.753 0.40 58.44 ? 218 LEU a CB 1 +ATOM 26482 C CB B LEU S 1 218 ? 24.505 2.397 17.703 0.60 58.42 ? 218 LEU a CB 1 +ATOM 26483 C CG A LEU S 1 218 ? 24.991 3.821 17.317 0.40 62.80 ? 218 LEU a CG 1 +ATOM 26484 C CG B LEU S 1 218 ? 25.012 3.765 17.220 0.60 62.66 ? 218 LEU a CG 1 +ATOM 26485 C CD1 A LEU S 1 218 ? 24.266 4.946 18.004 0.40 72.51 ? 218 LEU a CD1 1 +ATOM 26486 C CD1 B LEU S 1 218 ? 24.284 4.884 17.918 0.60 72.48 ? 218 LEU a CD1 1 +ATOM 26487 C CD2 A LEU S 1 218 ? 26.486 3.971 17.554 0.40 60.69 ? 218 LEU a CD2 1 +ATOM 26488 C CD2 B LEU S 1 218 ? 26.507 3.918 17.428 0.60 60.66 ? 218 LEU a CD2 1 +ATOM 26489 N N A VAL S 1 219 ? 23.489 -0.569 17.564 0.40 60.18 ? 219 VAL a N 1 +ATOM 26490 N N B VAL S 1 219 ? 23.549 -0.606 17.537 0.60 60.33 ? 219 VAL a N 1 +ATOM 26491 C CA A VAL S 1 219 ? 23.177 -1.883 18.112 0.40 55.98 ? 219 VAL a CA 1 +ATOM 26492 C CA B VAL S 1 219 ? 23.225 -1.931 18.057 0.60 55.86 ? 219 VAL a CA 1 +ATOM 26493 C C A VAL S 1 219 ? 24.033 -2.953 17.441 0.40 61.24 ? 219 VAL a C 1 +ATOM 26494 C C B VAL S 1 219 ? 24.073 -2.995 17.367 0.60 61.32 ? 219 VAL a C 1 +ATOM 26495 O O A VAL S 1 219 ? 24.555 -3.860 18.102 0.40 61.13 ? 219 VAL a O 1 +ATOM 26496 O O B VAL S 1 219 ? 24.651 -3.875 18.017 0.60 61.09 ? 219 VAL a O 1 +ATOM 26497 C CB A VAL S 1 219 ? 21.669 -2.180 17.960 0.40 55.55 ? 219 VAL a CB 1 +ATOM 26498 C CB B VAL S 1 219 ? 21.722 -2.218 17.889 0.60 55.53 ? 219 VAL a CB 1 +ATOM 26499 C CG1 A VAL S 1 219 ? 21.366 -3.658 18.311 0.40 53.71 ? 219 VAL a CG1 1 +ATOM 26500 C CG1 B VAL S 1 219 ? 21.420 -3.685 18.242 0.60 53.54 ? 219 VAL a CG1 1 +ATOM 26501 C CG2 A VAL S 1 219 ? 20.826 -1.221 18.821 0.40 55.25 ? 219 VAL a CG2 1 +ATOM 26502 C CG2 B VAL S 1 219 ? 20.892 -1.261 18.734 0.60 55.13 ? 219 VAL a CG2 1 +ATOM 26503 N N A THR S 1 220 ? 24.198 -2.859 16.118 0.40 58.57 ? 220 THR a N 1 +ATOM 26504 N N B THR S 1 220 ? 24.140 -2.949 16.033 0.60 58.64 ? 220 THR a N 1 +ATOM 26505 C CA A THR S 1 220 ? 24.966 -3.866 15.389 0.40 62.93 ? 220 THR a CA 1 +ATOM 26506 C CA B THR S 1 220 ? 24.909 -3.958 15.308 0.60 63.18 ? 220 THR a CA 1 +ATOM 26507 C C A THR S 1 220 ? 26.443 -3.816 15.770 0.40 58.17 ? 220 THR a C 1 +ATOM 26508 C C B THR S 1 220 ? 26.374 -3.920 15.713 0.60 58.11 ? 220 THR a C 1 +ATOM 26509 O O A THR S 1 220 ? 27.107 -4.854 15.829 0.40 63.96 ? 220 THR a O 1 +ATOM 26510 O O B THR S 1 220 ? 27.038 -4.958 15.790 0.60 64.24 ? 220 THR a O 1 +ATOM 26511 C CB A THR S 1 220 ? 24.784 -3.674 13.868 0.40 60.54 ? 220 THR a CB 1 +ATOM 26512 C CB B THR S 1 220 ? 24.777 -3.751 13.795 0.60 60.53 ? 220 THR a CB 1 +ATOM 26513 O OG1 A THR S 1 220 ? 23.413 -3.902 13.511 0.40 59.26 ? 220 THR a OG1 1 +ATOM 26514 O OG1 B THR S 1 220 ? 23.407 -3.915 13.406 0.60 59.25 ? 220 THR a OG1 1 +ATOM 26515 C CG2 A THR S 1 220 ? 25.656 -4.642 13.066 0.40 55.72 ? 220 THR a CG2 1 +ATOM 26516 C CG2 B THR S 1 220 ? 25.628 -4.765 13.032 0.60 55.56 ? 220 THR a CG2 1 +ATOM 26517 N N A SER S 1 221 ? 26.971 -2.619 16.018 0.40 59.28 ? 221 SER a N 1 +ATOM 26518 N N B SER S 1 221 ? 26.895 -2.729 15.982 0.60 59.20 ? 221 SER a N 1 +ATOM 26519 C CA A SER S 1 221 ? 28.375 -2.458 16.369 0.40 64.44 ? 221 SER a CA 1 +ATOM 26520 C CA B SER S 1 221 ? 28.308 -2.596 16.278 0.60 64.49 ? 221 SER a CA 1 +ATOM 26521 C C A SER S 1 221 ? 28.720 -3.058 17.726 0.40 64.98 ? 221 SER a C 1 +ATOM 26522 C C B SER S 1 221 ? 28.639 -2.982 17.712 0.60 65.20 ? 221 SER a C 1 +ATOM 26523 O O A SER S 1 221 ? 29.897 -3.307 18.001 0.40 59.35 ? 221 SER a O 1 +ATOM 26524 O O B SER S 1 221 ? 29.825 -3.014 18.073 0.60 60.36 ? 221 SER a O 1 +ATOM 26525 C CB A SER S 1 221 ? 28.747 -0.982 16.386 0.40 60.97 ? 221 SER a CB 1 +ATOM 26526 C CB B SER S 1 221 ? 28.745 -1.166 16.032 0.60 57.39 ? 221 SER a CB 1 +ATOM 26527 O OG A SER S 1 221 ? 28.417 -0.428 17.647 0.40 76.59 ? 221 SER a OG 1 +ATOM 26528 O OG B SER S 1 221 ? 28.543 -0.469 17.238 0.60 81.06 ? 221 SER a OG 1 +ATOM 26529 N N A SER S 1 222 ? 27.726 -3.268 18.581 0.40 57.87 ? 222 SER a N 1 +ATOM 26530 N N B SER S 1 222 ? 27.632 -3.265 18.545 0.60 57.64 ? 222 SER a N 1 +ATOM 26531 C CA A SER S 1 222 ? 27.968 -3.668 19.963 0.40 67.93 ? 222 SER a CA 1 +ATOM 26532 C CA B SER S 1 222 ? 27.877 -3.619 19.937 0.60 68.06 ? 222 SER a CA 1 +ATOM 26533 C C A SER S 1 222 ? 27.282 -4.981 20.318 0.40 62.26 ? 222 SER a C 1 +ATOM 26534 C C B SER S 1 222 ? 27.249 -4.961 20.290 0.60 62.19 ? 222 SER a C 1 +ATOM 26535 O O A SER S 1 222 ? 27.039 -5.251 21.502 0.40 59.87 ? 222 SER a O 1 +ATOM 26536 O O B SER S 1 222 ? 26.972 -5.230 21.465 0.60 59.79 ? 222 SER a O 1 +ATOM 26537 C CB A SER S 1 222 ? 27.549 -2.546 20.927 0.40 66.61 ? 222 SER a CB 1 +ATOM 26538 C CB B SER S 1 222 ? 27.385 -2.508 20.873 0.60 66.69 ? 222 SER a CB 1 +ATOM 26539 O OG A SER S 1 222 ? 26.151 -2.293 20.900 0.40 70.92 ? 222 SER a OG 1 +ATOM 26540 O OG B SER S 1 222 ? 25.983 -2.319 20.800 0.60 71.73 ? 222 SER a OG 1 +ATOM 26541 N N A LEU S 1 223 ? 26.980 -5.805 19.314 0.40 63.11 ? 223 LEU a N 1 +ATOM 26542 N N B LEU S 1 223 ? 27.030 -5.815 19.287 0.60 63.10 ? 223 LEU a N 1 +ATOM 26543 C CA A LEU S 1 223 ? 26.528 -7.168 19.563 0.40 64.68 ? 223 LEU a CA 1 +ATOM 26544 C CA B LEU S 1 223 ? 26.586 -7.181 19.538 0.60 64.73 ? 223 LEU a CA 1 +ATOM 26545 C C A LEU S 1 223 ? 27.586 -7.946 20.337 0.40 65.02 ? 223 LEU a C 1 +ATOM 26546 C C B LEU S 1 223 ? 27.636 -7.945 20.336 0.60 65.12 ? 223 LEU a C 1 +ATOM 26547 O O A LEU S 1 223 ? 28.779 -7.894 20.025 0.40 66.45 ? 223 LEU a O 1 +ATOM 26548 O O B LEU S 1 223 ? 28.838 -7.829 20.088 0.60 66.55 ? 223 LEU a O 1 +ATOM 26549 C CB A LEU S 1 223 ? 26.230 -7.890 18.243 0.40 62.67 ? 223 LEU a CB 1 +ATOM 26550 C CB B LEU S 1 223 ? 26.314 -7.909 18.217 0.60 62.64 ? 223 LEU a CB 1 +ATOM 26551 C CG A LEU S 1 223 ? 25.161 -7.325 17.304 0.40 66.51 ? 223 LEU a CG 1 +ATOM 26552 C CG B LEU S 1 223 ? 25.174 -7.426 17.317 0.60 66.83 ? 223 LEU a CG 1 +ATOM 26553 C CD1 A LEU S 1 223 ? 25.016 -8.234 16.068 0.40 60.46 ? 223 LEU a CD1 1 +ATOM 26554 C CD1 B LEU S 1 223 ? 25.090 -8.326 16.071 0.60 60.30 ? 223 LEU a CD1 1 +ATOM 26555 C CD2 A LEU S 1 223 ? 23.839 -7.186 18.060 0.40 61.56 ? 223 LEU a CD2 1 +ATOM 26556 C CD2 B LEU S 1 223 ? 23.861 -7.418 18.102 0.60 61.23 ? 223 LEU a CD2 1 +ATOM 26557 N N A ILE S 1 224 ? 27.142 -8.696 21.330 0.40 56.42 ? 224 ILE a N 1 +ATOM 26558 N N B ILE S 1 224 ? 27.174 -8.748 21.281 0.60 56.15 ? 224 ILE a N 1 +ATOM 26559 C CA A ILE S 1 224 ? 28.051 -9.502 22.132 0.40 64.10 ? 224 ILE a CA 1 +ATOM 26560 C CA B ILE S 1 224 ? 28.072 -9.543 22.112 0.60 64.06 ? 224 ILE a CA 1 +ATOM 26561 C C A ILE S 1 224 ? 28.453 -10.736 21.336 0.40 61.82 ? 224 ILE a C 1 +ATOM 26562 C C B ILE S 1 224 ? 28.479 -10.794 21.346 0.60 61.79 ? 224 ILE a C 1 +ATOM 26563 O O A ILE S 1 224 ? 27.610 -11.390 20.708 0.40 64.85 ? 224 ILE a O 1 +ATOM 26564 O O B ILE S 1 224 ? 27.633 -11.490 20.770 0.60 64.84 ? 224 ILE a O 1 +ATOM 26565 C CB A ILE S 1 224 ? 27.396 -9.868 23.472 0.40 65.22 ? 224 ILE a CB 1 +ATOM 26566 C CB B ILE S 1 224 ? 27.403 -9.886 23.452 0.60 65.23 ? 224 ILE a CB 1 +ATOM 26567 C CG1 A ILE S 1 224 ? 27.083 -8.578 24.245 0.40 60.88 ? 224 ILE a CG1 1 +ATOM 26568 C CG1 B ILE S 1 224 ? 27.163 -8.596 24.253 0.60 60.79 ? 224 ILE a CG1 1 +ATOM 26569 C CG2 A ILE S 1 224 ? 28.275 -10.826 24.271 0.40 58.70 ? 224 ILE a CG2 1 +ATOM 26570 C CG2 B ILE S 1 224 ? 28.225 -10.900 24.232 0.60 58.40 ? 224 ILE a CG2 1 +ATOM 26571 C CD1 A ILE S 1 224 ? 25.764 -8.613 24.983 0.40 63.93 ? 224 ILE a CD1 1 +ATOM 26572 C CD1 B ILE S 1 224 ? 25.923 -8.643 25.130 0.60 63.23 ? 224 ILE a CD1 1 +ATOM 26573 N N A ARG S 1 225 ? 29.751 -11.045 21.340 0.40 64.64 ? 225 ARG a N 1 +ATOM 26574 N N B ARG S 1 225 ? 29.782 -11.083 21.332 0.60 64.58 ? 225 ARG a N 1 +ATOM 26575 C CA A ARG S 1 225 ? 30.260 -12.192 20.593 0.40 69.87 ? 225 ARG a CA 1 +ATOM 26576 C CA B ARG S 1 225 ? 30.297 -12.228 20.589 0.60 69.93 ? 225 ARG a CA 1 +ATOM 26577 C C A ARG S 1 225 ? 29.639 -13.485 21.112 0.40 65.10 ? 225 ARG a C 1 +ATOM 26578 C C B ARG S 1 225 ? 29.679 -13.527 21.094 0.60 64.94 ? 225 ARG a C 1 +ATOM 26579 O O A ARG S 1 225 ? 29.888 -13.890 22.253 0.40 73.03 ? 225 ARG a O 1 +ATOM 26580 O O B ARG S 1 225 ? 29.948 -13.955 22.218 0.60 73.25 ? 225 ARG a O 1 +ATOM 26581 C CB A ARG S 1 225 ? 31.787 -12.253 20.667 0.40 66.08 ? 225 ARG a CB 1 +ATOM 26582 C CB B ARG S 1 225 ? 31.823 -12.287 20.673 0.60 65.88 ? 225 ARG a CB 1 +ATOM 26583 C CG A ARG S 1 225 ? 32.383 -13.477 19.995 0.40 74.92 ? 225 ARG a CG 1 +ATOM 26584 C CG B ARG S 1 225 ? 32.429 -13.481 19.957 0.60 74.96 ? 225 ARG a CG 1 +ATOM 26585 C CD A ARG S 1 225 ? 33.896 -13.354 19.847 0.40 78.19 ? 225 ARG a CD 1 +ATOM 26586 C CD B ARG S 1 225 ? 33.948 -13.375 19.852 0.60 78.16 ? 225 ARG a CD 1 +ATOM 26587 N NE A ARG S 1 225 ? 34.556 -13.148 21.132 0.40 94.76 ? 225 ARG a NE 1 +ATOM 26588 N NE B ARG S 1 225 ? 34.576 -13.143 21.148 0.60 94.93 ? 225 ARG a NE 1 +ATOM 26589 C CZ A ARG S 1 225 ? 35.090 -12.001 21.531 0.40 101.33 ? 225 ARG a CZ 1 +ATOM 26590 C CZ B ARG S 1 225 ? 35.127 -11.994 21.521 0.60 101.59 ? 225 ARG a CZ 1 +ATOM 26591 N NH1 A ARG S 1 225 ? 35.103 -10.932 20.746 0.40 87.75 ? 225 ARG a NH1 1 +ATOM 26592 N NH1 B ARG S 1 225 ? 35.188 -10.957 20.700 0.60 87.72 ? 225 ARG a NH1 1 +ATOM 26593 N NH2 A ARG S 1 225 ? 35.624 -11.922 22.748 0.40 107.71 ? 225 ARG a NH2 1 +ATOM 26594 N NH2 B ARG S 1 225 ? 35.629 -11.883 22.749 0.60 107.92 ? 225 ARG a NH2 1 +ATOM 26595 N N A GLU S 1 226 ? 28.801 -14.112 20.285 0.40 65.88 ? 226 GLU a N 1 +ATOM 26596 N N B GLU S 1 226 ? 28.819 -14.133 20.277 0.60 65.79 ? 226 GLU a N 1 +ATOM 26597 C CA A GLU S 1 226 ? 28.185 -15.395 20.589 0.40 66.14 ? 226 GLU a CA 1 +ATOM 26598 C CA B GLU S 1 226 ? 28.191 -15.408 20.585 0.60 66.02 ? 226 GLU a CA 1 +ATOM 26599 C C A GLU S 1 226 ? 28.399 -16.425 19.490 0.40 64.74 ? 226 GLU a C 1 +ATOM 26600 C C B GLU S 1 226 ? 28.400 -16.443 19.493 0.60 64.62 ? 226 GLU a C 1 +ATOM 26601 O O A GLU S 1 226 ? 27.901 -17.549 19.613 0.40 68.80 ? 226 GLU a O 1 +ATOM 26602 O O B GLU S 1 226 ? 27.882 -17.556 19.612 0.60 68.88 ? 226 GLU a O 1 +ATOM 26603 C CB A GLU S 1 226 ? 26.672 -15.236 20.822 0.40 68.27 ? 226 GLU a CB 1 +ATOM 26604 C CB B GLU S 1 226 ? 26.679 -15.234 20.809 0.60 68.20 ? 226 GLU a CB 1 +ATOM 26605 C CG A GLU S 1 226 ? 26.288 -14.227 21.907 0.40 78.87 ? 226 GLU a CG 1 +ATOM 26606 C CG B GLU S 1 226 ? 26.285 -14.197 21.860 0.60 78.98 ? 226 GLU a CG 1 +ATOM 26607 C CD A GLU S 1 226 ? 26.448 -14.795 23.316 0.40 84.22 ? 226 GLU a CD 1 +ATOM 26608 C CD B GLU S 1 226 ? 26.415 -14.716 23.290 0.60 84.38 ? 226 GLU a CD 1 +ATOM 26609 O OE1 A GLU S 1 226 ? 27.099 -15.851 23.456 0.40 84.04 ? 226 GLU a OE1 1 +ATOM 26610 O OE1 B GLU S 1 226 ? 26.999 -15.803 23.484 0.60 84.17 ? 226 GLU a OE1 1 +ATOM 26611 O OE2 A GLU S 1 226 ? 25.909 -14.204 24.277 0.40 85.68 ? 226 GLU a OE2 1 +ATOM 26612 O OE2 B GLU S 1 226 ? 25.925 -14.035 24.220 0.60 86.17 ? 226 GLU a OE2 1 +ATOM 26613 N N A THR S 1 227 ? 29.120 -16.078 18.424 0.40 65.58 ? 227 THR a N 1 +ATOM 26614 N N B THR S 1 227 ? 29.119 -16.108 18.428 0.60 65.52 ? 227 THR a N 1 +ATOM 26615 C CA A THR S 1 227 ? 29.240 -16.908 17.236 0.40 65.79 ? 227 THR a CA 1 +ATOM 26616 C CA B THR S 1 227 ? 29.255 -16.976 17.272 0.60 65.60 ? 227 THR a CA 1 +ATOM 26617 C C A THR S 1 227 ? 30.695 -16.918 16.794 0.40 68.29 ? 227 THR a C 1 +ATOM 26618 C C B THR S 1 227 ? 30.709 -16.972 16.829 0.60 68.23 ? 227 THR a C 1 +ATOM 26619 O O A THR S 1 227 ? 31.503 -16.091 17.223 0.40 70.35 ? 227 THR a O 1 +ATOM 26620 O O B THR S 1 227 ? 31.523 -16.164 17.282 0.60 70.44 ? 227 THR a O 1 +ATOM 26621 C CB A THR S 1 227 ? 28.354 -16.390 16.080 0.40 72.45 ? 227 THR a CB 1 +ATOM 26622 C CB B THR S 1 227 ? 28.346 -16.533 16.109 0.60 72.58 ? 227 THR a CB 1 +ATOM 26623 O OG1 A THR S 1 227 ? 28.568 -14.978 15.898 0.40 68.13 ? 227 THR a OG1 1 +ATOM 26624 O OG1 B THR S 1 227 ? 28.590 -15.150 15.797 0.60 69.16 ? 227 THR a OG1 1 +ATOM 26625 C CG2 A THR S 1 227 ? 26.880 -16.636 16.361 0.40 63.07 ? 227 THR a CG2 1 +ATOM 26626 C CG2 B THR S 1 227 ? 26.874 -16.723 16.458 0.60 63.07 ? 227 THR a CG2 1 +ATOM 26627 N N . THR S 1 228 ? 31.027 -17.890 15.934 1.00 71.40 ? 228 THR a N 1 +ATOM 26628 C CA . THR S 1 228 ? 32.339 -17.964 15.311 1.00 77.20 ? 228 THR a CA 1 +ATOM 26629 C C . THR S 1 228 ? 32.303 -17.157 14.016 1.00 74.53 ? 228 THR a C 1 +ATOM 26630 O O . THR S 1 228 ? 31.247 -16.682 13.588 1.00 80.48 ? 228 THR a O 1 +ATOM 26631 C CB . THR S 1 228 ? 32.739 -19.418 15.039 1.00 73.77 ? 228 THR a CB 1 +ATOM 26632 O OG1 . THR S 1 228 ? 31.876 -19.985 14.046 1.00 82.49 ? 228 THR a OG1 1 +ATOM 26633 C CG2 . THR S 1 228 ? 32.644 -20.255 16.313 1.00 70.24 ? 228 THR a CG2 1 +ATOM 26634 N N . GLU S 1 229 ? 33.462 -16.992 13.379 1.00 77.59 ? 229 GLU a N 1 +ATOM 26635 C CA . GLU S 1 229 ? 33.471 -16.160 12.176 1.00 91.23 ? 229 GLU a CA 1 +ATOM 26636 C C . GLU S 1 229 ? 32.984 -16.887 10.930 1.00 79.17 ? 229 GLU a C 1 +ATOM 26637 O O . GLU S 1 229 ? 32.871 -16.254 9.874 1.00 89.15 ? 229 GLU a O 1 +ATOM 26638 C CB . GLU S 1 229 ? 34.861 -15.575 11.917 1.00 93.28 ? 229 GLU a CB 1 +ATOM 26639 C CG . GLU S 1 229 ? 35.977 -16.568 11.715 1.00 99.67 ? 229 GLU a CG 1 +ATOM 26640 C CD . GLU S 1 229 ? 37.260 -15.872 11.298 1.00 138.82 ? 229 GLU a CD 1 +ATOM 26641 O OE1 . GLU S 1 229 ? 37.206 -15.050 10.350 1.00 126.49 ? 229 GLU a OE1 1 +ATOM 26642 O OE2 . GLU S 1 229 ? 38.313 -16.129 11.928 1.00 150.27 ? 229 GLU a OE2 1 +ATOM 26643 N N . THR S 1 230 ? 32.683 -18.179 11.012 1.00 83.62 ? 230 THR a N 1 +ATOM 26644 C CA . THR S 1 230 ? 32.109 -18.877 9.873 1.00 79.88 ? 230 THR a CA 1 +ATOM 26645 C C . THR S 1 230 ? 30.587 -18.929 9.907 1.00 78.33 ? 230 THR a C 1 +ATOM 26646 O O . THR S 1 230 ? 29.993 -19.610 9.070 1.00 97.13 ? 230 THR a O 1 +ATOM 26647 C CB . THR S 1 230 ? 32.654 -20.302 9.778 1.00 68.27 ? 230 THR a CB 1 +ATOM 26648 O OG1 . THR S 1 230 ? 32.274 -21.031 10.948 1.00 85.37 ? 230 THR a OG1 1 +ATOM 26649 C CG2 . THR S 1 230 ? 34.162 -20.288 9.659 1.00 87.14 ? 230 THR a CG2 1 +ATOM 26650 N N . GLU S 1 231 ? 29.931 -18.254 10.843 1.00 66.94 ? 231 GLU a N 1 +ATOM 26651 C CA . GLU S 1 231 ? 28.480 -18.270 10.870 1.00 70.60 ? 231 GLU a CA 1 +ATOM 26652 C C . GLU S 1 231 ? 27.947 -16.851 11.007 1.00 64.46 ? 231 GLU a C 1 +ATOM 26653 O O . GLU S 1 231 ? 28.659 -15.932 11.421 1.00 62.04 ? 231 GLU a O 1 +ATOM 26654 C CB . GLU S 1 231 ? 27.950 -19.170 11.997 1.00 67.64 ? 231 GLU a CB 1 +ATOM 26655 C CG . GLU S 1 231 ? 28.543 -18.885 13.340 1.00 80.83 ? 231 GLU a CG 1 +ATOM 26656 C CD . GLU S 1 231 ? 28.271 -19.997 14.350 1.00 106.44 ? 231 GLU a CD 1 +ATOM 26657 O OE1 . GLU S 1 231 ? 27.295 -20.758 14.154 1.00 105.95 ? 231 GLU a OE1 1 +ATOM 26658 O OE2 . GLU S 1 231 ? 29.037 -20.110 15.339 1.00 83.79 ? 231 GLU a OE2 1 +ATOM 26659 N N A SER S 1 232 ? 26.679 -16.668 10.626 0.40 58.46 ? 232 SER a N 1 +ATOM 26660 N N B SER S 1 232 ? 26.682 -16.693 10.630 0.60 58.35 ? 232 SER a N 1 +ATOM 26661 C CA A SER S 1 232 ? 26.031 -15.376 10.780 0.40 61.90 ? 232 SER a CA 1 +ATOM 26662 C CA B SER S 1 232 ? 26.014 -15.416 10.796 0.60 61.92 ? 232 SER a CA 1 +ATOM 26663 C C A SER S 1 232 ? 25.935 -15.006 12.256 0.40 64.54 ? 232 SER a C 1 +ATOM 26664 C C B SER S 1 232 ? 25.959 -15.041 12.271 0.60 64.59 ? 232 SER a C 1 +ATOM 26665 O O A SER S 1 232 ? 25.482 -15.808 13.079 0.40 62.71 ? 232 SER a O 1 +ATOM 26666 O O B SER S 1 232 ? 25.567 -15.853 13.116 0.60 62.85 ? 232 SER a O 1 +ATOM 26667 C CB A SER S 1 232 ? 24.637 -15.410 10.160 0.40 56.63 ? 232 SER a CB 1 +ATOM 26668 C CB B SER S 1 232 ? 24.605 -15.488 10.214 0.60 56.52 ? 232 SER a CB 1 +ATOM 26669 O OG A SER S 1 232 ? 23.913 -14.254 10.534 0.40 55.27 ? 232 SER a OG 1 +ATOM 26670 O OG B SER S 1 232 ? 23.874 -14.323 10.537 0.60 55.25 ? 232 SER a OG 1 +ATOM 26671 N N A ALA S 1 233 ? 26.342 -13.776 12.590 0.40 57.92 ? 233 ALA a N 1 +ATOM 26672 N N B ALA S 1 233 ? 26.353 -13.804 12.582 0.60 57.79 ? 233 ALA a N 1 +ATOM 26673 C CA A ALA S 1 233 ? 26.161 -13.291 13.952 0.40 61.58 ? 233 ALA a CA 1 +ATOM 26674 C CA B ALA S 1 233 ? 26.177 -13.304 13.938 0.60 61.56 ? 233 ALA a CA 1 +ATOM 26675 C C A ALA S 1 233 ? 24.698 -13.306 14.381 0.40 65.17 ? 233 ALA a C 1 +ATOM 26676 C C B ALA S 1 233 ? 24.716 -13.337 14.372 0.60 65.30 ? 233 ALA a C 1 +ATOM 26677 O O A ALA S 1 233 ? 24.425 -13.249 15.584 0.40 62.83 ? 233 ALA a O 1 +ATOM 26678 O O B ALA S 1 233 ? 24.445 -13.357 15.579 0.60 62.88 ? 233 ALA a O 1 +ATOM 26679 C CB A ALA S 1 233 ? 26.728 -11.874 14.100 0.40 62.08 ? 233 ALA a CB 1 +ATOM 26680 C CB B ALA S 1 233 ? 26.729 -11.881 14.058 0.60 62.01 ? 233 ALA a CB 1 +ATOM 26681 N N A ASN S 1 234 ? 23.753 -13.384 13.430 0.40 58.76 ? 234 ASN a N 1 +ATOM 26682 N N B ASN S 1 234 ? 23.772 -13.361 13.420 0.60 58.75 ? 234 ASN a N 1 +ATOM 26683 C CA A ASN S 1 234 ? 22.337 -13.417 13.794 0.40 57.50 ? 234 ASN a CA 1 +ATOM 26684 C CA B ASN S 1 234 ? 22.356 -13.387 13.781 0.60 57.52 ? 234 ASN a CA 1 +ATOM 26685 C C A ASN S 1 234 ? 21.999 -14.640 14.635 0.40 58.84 ? 234 ASN a C 1 +ATOM 26686 C C B ASN S 1 234 ? 22.002 -14.623 14.599 0.60 58.85 ? 234 ASN a C 1 +ATOM 26687 O O A ASN S 1 234 ? 21.051 -14.608 15.433 0.40 57.02 ? 234 ASN a O 1 +ATOM 26688 O O B ASN S 1 234 ? 21.044 -14.597 15.381 0.60 56.97 ? 234 ASN a O 1 +ATOM 26689 C CB A ASN S 1 234 ? 21.462 -13.382 12.542 0.40 52.64 ? 234 ASN a CB 1 +ATOM 26690 C CB B ASN S 1 234 ? 21.483 -13.317 12.528 0.60 52.58 ? 234 ASN a CB 1 +ATOM 26691 C CG A ASN S 1 234 ? 21.584 -12.070 11.789 0.40 61.48 ? 234 ASN a CG 1 +ATOM 26692 C CG B ASN S 1 234 ? 21.669 -12.021 11.764 0.60 61.69 ? 234 ASN a CG 1 +ATOM 26693 O OD1 A ASN S 1 234 ? 21.955 -11.045 12.367 0.40 61.63 ? 234 ASN a OD1 1 +ATOM 26694 O OD1 B ASN S 1 234 ? 22.019 -10.985 12.341 0.60 61.74 ? 234 ASN a OD1 1 +ATOM 26695 N ND2 A ASN S 1 234 ? 21.292 -12.096 10.492 0.40 53.43 ? 234 ASN a ND2 1 +ATOM 26696 N ND2 B ASN S 1 234 ? 21.443 -12.072 10.453 0.60 53.30 ? 234 ASN a ND2 1 +ATOM 26697 N N A TYR S 1 235 ? 22.760 -15.724 14.477 0.40 56.05 ? 235 TYR a N 1 +ATOM 26698 N N B TYR S 1 235 ? 22.758 -15.709 14.435 0.60 55.82 ? 235 TYR a N 1 +ATOM 26699 C CA A TYR S 1 235 ? 22.500 -16.916 15.261 0.40 59.65 ? 235 TYR a CA 1 +ATOM 26700 C CA B TYR S 1 235 ? 22.516 -16.907 15.222 0.60 59.47 ? 235 TYR a CA 1 +ATOM 26701 C C A TYR S 1 235 ? 22.853 -16.734 16.732 0.40 65.55 ? 235 TYR a C 1 +ATOM 26702 C C B TYR S 1 235 ? 22.879 -16.724 16.690 0.60 65.59 ? 235 TYR a C 1 +ATOM 26703 O O A TYR S 1 235 ? 22.434 -17.549 17.558 0.40 63.35 ? 235 TYR a O 1 +ATOM 26704 O O B TYR S 1 235 ? 22.447 -17.525 17.523 0.60 63.27 ? 235 TYR a O 1 +ATOM 26705 C CB A TYR S 1 235 ? 23.252 -18.092 14.646 0.40 64.71 ? 235 TYR a CB 1 +ATOM 26706 C CB B TYR S 1 235 ? 23.280 -18.082 14.615 0.60 64.64 ? 235 TYR a CB 1 +ATOM 26707 C CG A TYR S 1 235 ? 22.598 -18.564 13.372 0.40 72.95 ? 235 TYR a CG 1 +ATOM 26708 C CG B TYR S 1 235 ? 22.625 -18.590 13.353 0.60 73.08 ? 235 TYR a CG 1 +ATOM 26709 C CD1 A TYR S 1 235 ? 21.302 -19.077 13.395 0.40 75.39 ? 235 TYR a CD1 1 +ATOM 26710 C CD1 B TYR S 1 235 ? 21.355 -19.158 13.397 0.60 75.49 ? 235 TYR a CD1 1 +ATOM 26711 C CD2 A TYR S 1 235 ? 23.262 -18.505 12.150 0.40 73.06 ? 235 TYR a CD2 1 +ATOM 26712 C CD2 B TYR S 1 235 ? 23.262 -18.497 12.118 0.60 73.15 ? 235 TYR a CD2 1 +ATOM 26713 C CE1 A TYR S 1 235 ? 20.681 -19.521 12.235 0.40 85.66 ? 235 TYR a CE1 1 +ATOM 26714 C CE1 B TYR S 1 235 ? 20.735 -19.627 12.246 0.60 85.84 ? 235 TYR a CE1 1 +ATOM 26715 C CE2 A TYR S 1 235 ? 22.647 -18.949 10.969 0.40 69.75 ? 235 TYR a CE2 1 +ATOM 26716 C CE2 B TYR S 1 235 ? 22.647 -18.964 10.954 0.60 69.70 ? 235 TYR a CE2 1 +ATOM 26717 C CZ A TYR S 1 235 ? 21.355 -19.454 11.022 0.40 83.56 ? 235 TYR a CZ 1 +ATOM 26718 C CZ B TYR S 1 235 ? 21.383 -19.528 11.026 0.60 83.80 ? 235 TYR a CZ 1 +ATOM 26719 O OH A TYR S 1 235 ? 20.714 -19.892 9.875 0.40 74.22 ? 235 TYR a OH 1 +ATOM 26720 O OH B TYR S 1 235 ? 20.756 -19.994 9.885 0.60 74.41 ? 235 TYR a OH 1 +ATOM 26721 N N A GLY S 1 236 ? 23.582 -15.675 17.082 0.40 58.60 ? 236 GLY a N 1 +ATOM 26722 N N B GLY S 1 236 ? 23.638 -15.681 17.027 0.60 58.51 ? 236 GLY a N 1 +ATOM 26723 C CA A GLY S 1 236 ? 23.846 -15.375 18.475 0.40 59.29 ? 236 GLY a CA 1 +ATOM 26724 C CA B GLY S 1 236 ? 23.918 -15.366 18.415 0.60 59.26 ? 236 GLY a CA 1 +ATOM 26725 C C A GLY S 1 236 ? 22.661 -14.836 19.251 0.40 64.11 ? 236 GLY a C 1 +ATOM 26726 C C B GLY S 1 236 ? 22.715 -14.921 19.222 0.60 64.10 ? 236 GLY a C 1 +ATOM 26727 O O A GLY S 1 236 ? 22.781 -14.601 20.457 0.40 64.89 ? 236 GLY a O 1 +ATOM 26728 O O B GLY S 1 236 ? 22.827 -14.805 20.448 0.60 65.04 ? 236 GLY a O 1 +ATOM 26729 N N A TYR S 1 237 ? 21.524 -14.612 18.601 0.40 63.77 ? 237 TYR a N 1 +ATOM 26730 N N B TYR S 1 237 ? 21.579 -14.661 18.580 0.60 63.76 ? 237 TYR a N 1 +ATOM 26731 C CA A TYR S 1 237 ? 20.298 -14.236 19.290 0.40 59.70 ? 237 TYR a CA 1 +ATOM 26732 C CA B TYR S 1 237 ? 20.352 -14.294 19.276 0.60 59.54 ? 237 TYR a CA 1 +ATOM 26733 C C A TYR S 1 237 ? 19.284 -15.353 19.113 0.40 67.50 ? 237 TYR a C 1 +ATOM 26734 C C B TYR S 1 237 ? 19.315 -15.386 19.062 0.60 67.61 ? 237 TYR a C 1 +ATOM 26735 O O A TYR S 1 237 ? 19.125 -15.876 18.007 0.40 66.91 ? 237 TYR a O 1 +ATOM 26736 O O B TYR S 1 237 ? 19.087 -15.814 17.926 0.60 66.94 ? 237 TYR a O 1 +ATOM 26737 C CB A TYR S 1 237 ? 19.723 -12.911 18.768 0.40 62.77 ? 237 TYR a CB 1 +ATOM 26738 C CB B TYR S 1 237 ? 19.800 -12.942 18.792 0.60 62.89 ? 237 TYR a CB 1 +ATOM 26739 C CG A TYR S 1 237 ? 18.346 -12.652 19.333 0.40 63.19 ? 237 TYR a CG 1 +ATOM 26740 C CG B TYR S 1 237 ? 18.412 -12.662 19.336 0.60 63.37 ? 237 TYR a CG 1 +ATOM 26741 C CD1 A TYR S 1 237 ? 18.187 -12.117 20.613 0.40 60.99 ? 237 TYR a CD1 1 +ATOM 26742 C CD1 B TYR S 1 237 ? 18.237 -12.111 20.608 0.60 61.03 ? 237 TYR a CD1 1 +ATOM 26743 C CD2 A TYR S 1 237 ? 17.209 -12.993 18.616 0.40 53.90 ? 237 TYR a CD2 1 +ATOM 26744 C CD2 B TYR S 1 237 ? 17.278 -12.982 18.598 0.60 53.75 ? 237 TYR a CD2 1 +ATOM 26745 C CE1 A TYR S 1 237 ? 16.932 -11.909 21.141 0.40 54.37 ? 237 TYR a CE1 1 +ATOM 26746 C CE1 B TYR S 1 237 ? 16.973 -11.876 21.114 0.60 54.13 ? 237 TYR a CE1 1 +ATOM 26747 C CE2 A TYR S 1 237 ? 15.952 -12.787 19.134 0.40 55.12 ? 237 TYR a CE2 1 +ATOM 26748 C CE2 B TYR S 1 237 ? 16.012 -12.751 19.095 0.60 54.99 ? 237 TYR a CE2 1 +ATOM 26749 C CZ A TYR S 1 237 ? 15.815 -12.249 20.396 0.40 59.36 ? 237 TYR a CZ 1 +ATOM 26750 C CZ B TYR S 1 237 ? 15.863 -12.203 20.352 0.60 59.39 ? 237 TYR a CZ 1 +ATOM 26751 O OH A TYR S 1 237 ? 14.548 -12.052 20.898 0.40 59.36 ? 237 TYR a OH 1 +ATOM 26752 O OH B TYR S 1 237 ? 14.595 -11.976 20.838 0.60 59.33 ? 237 TYR a OH 1 +ATOM 26753 N N A LYS S 1 238 ? 18.614 -15.729 20.199 0.40 66.24 ? 238 LYS a N 1 +ATOM 26754 N N B LYS S 1 238 ? 18.692 -15.832 20.151 0.60 66.30 ? 238 LYS a N 1 +ATOM 26755 C CA A LYS S 1 238 ? 17.567 -16.742 20.161 0.40 70.62 ? 238 LYS a CA 1 +ATOM 26756 C CA B LYS S 1 238 ? 17.610 -16.805 20.102 0.60 70.72 ? 238 LYS a CA 1 +ATOM 26757 C C A LYS S 1 238 ? 16.244 -16.072 20.486 0.40 66.79 ? 238 LYS a C 1 +ATOM 26758 C C B LYS S 1 238 ? 16.301 -16.096 20.412 0.60 66.82 ? 238 LYS a C 1 +ATOM 26759 O O A LYS S 1 238 ? 16.157 -15.308 21.453 0.40 64.85 ? 238 LYS a O 1 +ATOM 26760 O O B LYS S 1 238 ? 16.222 -15.329 21.377 0.60 64.87 ? 238 LYS a O 1 +ATOM 26761 C CB A LYS S 1 238 ? 17.844 -17.878 21.151 0.40 77.45 ? 238 LYS a CB 1 +ATOM 26762 C CB B LYS S 1 238 ? 17.833 -17.945 21.101 0.60 77.53 ? 238 LYS a CB 1 +ATOM 26763 C CG A LYS S 1 238 ? 19.301 -18.334 21.213 0.40 78.25 ? 238 LYS a CG 1 +ATOM 26764 C CG B LYS S 1 238 ? 19.274 -18.411 21.222 0.60 78.26 ? 238 LYS a CG 1 +ATOM 26765 C CD A LYS S 1 238 ? 19.722 -19.114 19.994 0.40 80.27 ? 238 LYS a CD 1 +ATOM 26766 C CD B LYS S 1 238 ? 19.755 -19.107 19.968 0.60 80.30 ? 238 LYS a CD 1 +ATOM 26767 C CE A LYS S 1 238 ? 21.206 -19.509 20.067 0.40 91.60 ? 238 LYS a CE 1 +ATOM 26768 C CE B LYS S 1 238 ? 21.198 -19.586 20.121 0.60 91.76 ? 238 LYS a CE 1 +ATOM 26769 N NZ A LYS S 1 238 ? 21.653 -20.265 18.847 0.40 104.42 ? 238 LYS a NZ 1 +ATOM 26770 N NZ B LYS S 1 238 ? 21.656 -20.356 18.926 0.60 104.87 ? 238 LYS a NZ 1 +ATOM 26771 N N A PHE S 1 239 ? 15.233 -16.325 19.659 0.40 65.62 ? 239 PHE a N 1 +ATOM 26772 N N B PHE S 1 239 ? 15.285 -16.337 19.587 0.60 65.57 ? 239 PHE a N 1 +ATOM 26773 C CA A PHE S 1 239 ? 13.919 -15.736 19.885 0.40 64.18 ? 239 PHE a CA 1 +ATOM 26774 C CA B PHE S 1 239 ? 13.973 -15.751 19.819 0.60 64.04 ? 239 PHE a CA 1 +ATOM 26775 C C A PHE S 1 239 ? 13.429 -16.059 21.292 0.40 71.67 ? 239 PHE a C 1 +ATOM 26776 C C B PHE S 1 239 ? 13.495 -16.062 21.229 0.60 71.76 ? 239 PHE a C 1 +ATOM 26777 O O A PHE S 1 239 ? 13.389 -17.221 21.699 0.40 69.84 ? 239 PHE a O 1 +ATOM 26778 O O B PHE S 1 239 ? 13.463 -17.222 21.645 0.60 69.60 ? 239 PHE a O 1 +ATOM 26779 C CB A PHE S 1 239 ? 12.927 -16.264 18.849 0.40 58.86 ? 239 PHE a CB 1 +ATOM 26780 C CB B PHE S 1 239 ? 12.971 -16.285 18.795 0.60 58.76 ? 239 PHE a CB 1 +ATOM 26781 C CG A PHE S 1 239 ? 11.524 -15.729 19.009 0.40 56.74 ? 239 PHE a CG 1 +ATOM 26782 C CG B PHE S 1 239 ? 11.573 -15.750 18.969 0.60 56.61 ? 239 PHE a CG 1 +ATOM 26783 C CD1 A PHE S 1 239 ? 11.264 -14.370 18.870 0.40 58.18 ? 239 PHE a CD1 1 +ATOM 26784 C CD1 B PHE S 1 239 ? 11.307 -14.396 18.790 0.60 58.19 ? 239 PHE a CD1 1 +ATOM 26785 C CD2 A PHE S 1 239 ? 10.463 -16.592 19.265 0.40 62.36 ? 239 PHE a CD2 1 +ATOM 26786 C CD2 B PHE S 1 239 ? 10.524 -16.598 19.284 0.60 62.30 ? 239 PHE a CD2 1 +ATOM 26787 C CE1 A PHE S 1 239 ? 9.976 -13.872 18.997 0.40 56.32 ? 239 PHE a CE1 1 +ATOM 26788 C CE1 B PHE S 1 239 ? 10.021 -13.898 18.935 0.60 56.28 ? 239 PHE a CE1 1 +ATOM 26789 C CE2 A PHE S 1 239 ? 9.166 -16.107 19.394 0.40 62.13 ? 239 PHE a CE2 1 +ATOM 26790 C CE2 B PHE S 1 239 ? 9.234 -16.110 19.432 0.60 62.17 ? 239 PHE a CE2 1 +ATOM 26791 C CZ A PHE S 1 239 ? 8.919 -14.744 19.256 0.40 52.60 ? 239 PHE a CZ 1 +ATOM 26792 C CZ B PHE S 1 239 ? 8.978 -14.759 19.255 0.60 52.54 ? 239 PHE a CZ 1 +ATOM 26793 N N A GLY S 1 240 ? 13.061 -15.021 22.037 0.40 68.15 ? 240 GLY a N 1 +ATOM 26794 N N B GLY S 1 240 ? 13.132 -15.017 21.966 0.60 68.01 ? 240 GLY a N 1 +ATOM 26795 C CA A GLY S 1 240 ? 12.509 -15.213 23.359 0.40 79.55 ? 240 GLY a CA 1 +ATOM 26796 C CA B GLY S 1 240 ? 12.562 -15.195 23.286 0.60 79.79 ? 240 GLY a CA 1 +ATOM 26797 C C A GLY S 1 240 ? 13.503 -15.193 24.504 0.40 73.39 ? 240 GLY a C 1 +ATOM 26798 C C B GLY S 1 240 ? 13.541 -15.183 24.440 0.60 73.43 ? 240 GLY a C 1 +ATOM 26799 O O A GLY S 1 240 ? 13.071 -15.197 25.662 0.40 72.97 ? 240 GLY a O 1 +ATOM 26800 O O B GLY S 1 240 ? 13.100 -15.232 25.594 0.60 72.97 ? 240 GLY a O 1 +ATOM 26801 N N A GLN S 1 241 ? 14.809 -15.166 24.226 0.40 67.96 ? 241 GLN a N 1 +ATOM 26802 N N B GLN S 1 241 ? 14.846 -15.107 24.175 0.60 67.91 ? 241 GLN a N 1 +ATOM 26803 C CA A GLN S 1 241 ? 15.801 -15.126 25.296 0.40 67.36 ? 241 GLN a CA 1 +ATOM 26804 C CA B GLN S 1 241 ? 15.825 -15.109 25.256 0.60 67.30 ? 241 GLN a CA 1 +ATOM 26805 C C A GLN S 1 241 ? 15.610 -13.884 26.166 0.40 70.92 ? 241 GLN a C 1 +ATOM 26806 C C B GLN S 1 241 ? 15.644 -13.885 26.148 0.60 70.95 ? 241 GLN a C 1 +ATOM 26807 O O A GLN S 1 241 ? 15.207 -12.814 25.695 0.40 64.78 ? 241 GLN a O 1 +ATOM 26808 O O B GLN S 1 241 ? 15.272 -12.800 25.690 0.60 64.66 ? 241 GLN a O 1 +ATOM 26809 C CB A GLN S 1 241 ? 17.221 -15.154 24.722 0.40 58.71 ? 241 GLN a CB 1 +ATOM 26810 C CB B GLN S 1 241 ? 17.245 -15.147 24.694 0.60 58.48 ? 241 GLN a CB 1 +ATOM 26811 C CG A GLN S 1 241 ? 17.635 -13.860 24.020 0.40 62.99 ? 241 GLN a CG 1 +ATOM 26812 C CG B GLN S 1 241 ? 17.654 -13.873 23.973 0.60 62.90 ? 241 GLN a CG 1 +ATOM 26813 C CD A GLN S 1 241 ? 19.068 -13.874 23.529 0.40 62.37 ? 241 GLN a CD 1 +ATOM 26814 C CD B GLN S 1 241 ? 19.067 -13.933 23.442 0.60 62.29 ? 241 GLN a CD 1 +ATOM 26815 O OE1 A GLN S 1 241 ? 19.468 -14.745 22.755 0.40 66.87 ? 241 GLN a OE1 1 +ATOM 26816 O OE1 B GLN S 1 241 ? 19.405 -14.809 22.644 0.60 67.08 ? 241 GLN a OE1 1 +ATOM 26817 N NE2 A GLN S 1 241 ? 19.848 -12.893 23.965 0.40 62.95 ? 241 GLN a NE2 1 +ATOM 26818 N NE2 B GLN S 1 241 ? 19.908 -13.006 23.891 0.60 62.79 ? 241 GLN a NE2 1 +ATOM 26819 N N A GLU S 1 242 ? 15.901 -14.044 27.459 0.40 71.80 ? 242 GLU a N 1 +ATOM 26820 N N B GLU S 1 242 ? 15.921 -14.068 27.442 0.60 71.79 ? 242 GLU a N 1 +ATOM 26821 C CA A GLU S 1 242 ? 15.662 -12.979 28.426 0.40 70.30 ? 242 GLU a CA 1 +ATOM 26822 C CA B GLU S 1 242 ? 15.688 -13.003 28.413 0.60 70.16 ? 242 GLU a CA 1 +ATOM 26823 C C A GLU S 1 242 ? 16.720 -11.889 28.368 0.40 71.59 ? 242 GLU a C 1 +ATOM 26824 C C B GLU S 1 242 ? 16.751 -11.915 28.360 0.60 71.58 ? 242 GLU a C 1 +ATOM 26825 O O A GLU S 1 242 ? 16.418 -10.725 28.655 0.40 69.42 ? 242 GLU a O 1 +ATOM 26826 O O B GLU S 1 242 ? 16.438 -10.741 28.593 0.60 69.30 ? 242 GLU a O 1 +ATOM 26827 C CB A GLU S 1 242 ? 15.620 -13.547 29.844 0.40 77.68 ? 242 GLU a CB 1 +ATOM 26828 C CB B GLU S 1 242 ? 15.629 -13.575 29.829 0.60 77.57 ? 242 GLU a CB 1 +ATOM 26829 C CG A GLU S 1 242 ? 14.404 -14.393 30.144 0.40 94.88 ? 242 GLU a CG 1 +ATOM 26830 C CG B GLU S 1 242 ? 14.383 -14.379 30.128 0.60 94.97 ? 242 GLU a CG 1 +ATOM 26831 C CD A GLU S 1 242 ? 14.003 -14.308 31.608 0.40 117.24 ? 242 GLU a CD 1 +ATOM 26832 C CD B GLU S 1 242 ? 13.988 -14.299 31.591 0.60 117.47 ? 242 GLU a CD 1 +ATOM 26833 O OE1 A GLU S 1 242 ? 13.931 -13.171 32.151 0.40 112.83 ? 242 GLU a OE1 1 +ATOM 26834 O OE1 B GLU S 1 242 ? 13.910 -13.167 32.130 0.60 112.99 ? 242 GLU a OE1 1 +ATOM 26835 O OE2 A GLU S 1 242 ? 13.774 -15.380 32.213 0.40 126.99 ? 242 GLU a OE2 1 +ATOM 26836 O OE2 B GLU S 1 242 ? 13.769 -15.370 32.199 0.60 127.16 ? 242 GLU a OE2 1 +ATOM 26837 N N A GLU S 1 243 ? 17.954 -12.240 28.028 0.40 63.78 ? 243 GLU a N 1 +ATOM 26838 N N B GLU S 1 243 ? 17.996 -12.273 28.072 0.60 63.42 ? 243 GLU a N 1 +ATOM 26839 C CA A GLU S 1 243 ? 19.043 -11.281 28.100 0.40 75.02 ? 243 GLU a CA 1 +ATOM 26840 C CA B GLU S 1 243 ? 19.082 -11.311 28.159 0.60 74.97 ? 243 GLU a CA 1 +ATOM 26841 C C A GLU S 1 243 ? 19.114 -10.426 26.842 0.40 74.66 ? 243 GLU a C 1 +ATOM 26842 C C B GLU S 1 243 ? 19.181 -10.470 26.894 0.60 74.87 ? 243 GLU a C 1 +ATOM 26843 O O A GLU S 1 243 ? 18.868 -10.902 25.728 0.40 66.05 ? 243 GLU a O 1 +ATOM 26844 O O B GLU S 1 243 ? 18.920 -10.941 25.783 0.60 65.93 ? 243 GLU a O 1 +ATOM 26845 C CB A GLU S 1 243 ? 20.369 -12.002 28.320 0.40 84.08 ? 243 GLU a CB 1 +ATOM 26846 C CB B GLU S 1 243 ? 20.406 -12.026 28.410 0.60 84.23 ? 243 GLU a CB 1 +ATOM 26847 C CG A GLU S 1 243 ? 20.485 -12.626 29.708 0.40 105.75 ? 243 GLU a CG 1 +ATOM 26848 C CG B GLU S 1 243 ? 20.494 -12.663 29.788 0.60 105.99 ? 243 GLU a CG 1 +ATOM 26849 C CD A GLU S 1 243 ? 21.840 -13.249 29.960 0.40 128.44 ? 243 GLU a CD 1 +ATOM 26850 C CD B GLU S 1 243 ? 21.842 -13.298 30.048 0.60 128.73 ? 243 GLU a CD 1 +ATOM 26851 O OE1 A GLU S 1 243 ? 22.361 -13.941 29.055 0.40 130.33 ? 243 GLU a OE1 1 +ATOM 26852 O OE1 B GLU S 1 243 ? 22.331 -14.041 29.167 0.60 130.81 ? 243 GLU a OE1 1 +ATOM 26853 O OE2 A GLU S 1 243 ? 22.391 -13.029 31.062 0.40 137.25 ? 243 GLU a OE2 1 +ATOM 26854 O OE2 B GLU S 1 243 ? 22.416 -13.039 31.128 0.60 137.52 ? 243 GLU a OE2 1 +ATOM 26855 N N A GLU S 1 244 ? 19.447 -9.154 27.038 0.40 69.08 ? 244 GLU a N 1 +ATOM 26856 N N B GLU S 1 244 ? 19.552 -9.204 27.080 0.60 69.07 ? 244 GLU a N 1 +ATOM 26857 C CA A GLU S 1 244 ? 19.742 -8.274 25.922 0.40 65.36 ? 244 GLU a CA 1 +ATOM 26858 C CA B GLU S 1 244 ? 19.816 -8.325 25.953 0.60 65.20 ? 244 GLU a CA 1 +ATOM 26859 C C A GLU S 1 244 ? 20.928 -8.829 25.137 0.40 70.42 ? 244 GLU a C 1 +ATOM 26860 C C B GLU S 1 244 ? 20.981 -8.877 25.138 0.60 70.57 ? 244 GLU a C 1 +ATOM 26861 O O A GLU S 1 244 ? 21.791 -9.531 25.677 0.40 63.75 ? 244 GLU a O 1 +ATOM 26862 O O B GLU S 1 244 ? 21.890 -9.523 25.663 0.60 63.67 ? 244 GLU a O 1 +ATOM 26863 C CB A GLU S 1 244 ? 20.006 -6.849 26.426 0.40 64.90 ? 244 GLU a CB 1 +ATOM 26864 C CB B GLU S 1 244 ? 20.100 -6.902 26.448 0.60 64.90 ? 244 GLU a CB 1 +ATOM 26865 C CG A GLU S 1 244 ? 19.845 -5.735 25.393 0.40 65.83 ? 244 GLU a CG 1 +ATOM 26866 C CG B GLU S 1 244 ? 19.901 -5.791 25.421 0.60 65.75 ? 244 GLU a CG 1 +ATOM 26867 C CD A GLU S 1 244 ? 18.689 -5.974 24.421 0.40 77.55 ? 244 GLU a CD 1 +ATOM 26868 C CD B GLU S 1 244 ? 18.615 -5.942 24.610 0.60 78.64 ? 244 GLU a CD 1 +ATOM 26869 O OE1 A GLU S 1 244 ? 18.855 -6.779 23.472 0.40 63.68 ? 244 GLU a OE1 1 +ATOM 26870 O OE1 B GLU S 1 244 ? 18.607 -6.725 23.630 0.60 63.24 ? 244 GLU a OE1 1 +ATOM 26871 O OE2 A GLU S 1 244 ? 17.616 -5.351 24.602 0.40 77.10 ? 244 GLU a OE2 1 +ATOM 26872 O OE2 B GLU S 1 244 ? 17.612 -5.277 24.954 0.60 80.20 ? 244 GLU a OE2 1 +ATOM 26873 N N A THR S 1 245 ? 20.927 -8.569 23.833 0.40 68.16 ? 245 THR a N 1 +ATOM 26874 N N B THR S 1 245 ? 20.926 -8.664 23.827 0.60 68.24 ? 245 THR a N 1 +ATOM 26875 C CA A THR S 1 245 ? 21.832 -9.227 22.902 0.40 63.84 ? 245 THR a CA 1 +ATOM 26876 C CA B THR S 1 245 ? 21.860 -9.311 22.918 0.60 63.67 ? 245 THR a CA 1 +ATOM 26877 C C A THR S 1 245 ? 22.984 -8.326 22.471 0.40 64.60 ? 245 THR a C 1 +ATOM 26878 C C B THR S 1 245 ? 23.029 -8.412 22.531 0.60 64.56 ? 245 THR a C 1 +ATOM 26879 O O A THR S 1 245 ? 23.869 -8.774 21.734 0.40 67.74 ? 245 THR a O 1 +ATOM 26880 O O B THR S 1 245 ? 23.955 -8.876 21.857 0.60 67.73 ? 245 THR a O 1 +ATOM 26881 C CB A THR S 1 245 ? 21.038 -9.723 21.677 0.40 67.52 ? 245 THR a CB 1 +ATOM 26882 C CB B THR S 1 245 ? 21.113 -9.796 21.663 0.60 67.61 ? 245 THR a CB 1 +ATOM 26883 O OG1 A THR S 1 245 ? 21.842 -10.613 20.892 0.40 60.20 ? 245 THR a OG1 1 +ATOM 26884 O OG1 B THR S 1 245 ? 21.963 -10.650 20.892 0.60 60.14 ? 245 THR a OG1 1 +ATOM 26885 C CG2 A THR S 1 245 ? 20.567 -8.546 20.819 0.40 59.30 ? 245 THR a CG2 1 +ATOM 26886 C CG2 B THR S 1 245 ? 20.662 -8.615 20.812 0.60 59.17 ? 245 THR a CG2 1 +ATOM 26887 N N A TYR S 1 246 ? 22.996 -7.073 22.915 0.40 65.80 ? 246 TYR a N 1 +ATOM 26888 N N B TYR S 1 246 ? 23.015 -7.149 22.944 0.60 65.73 ? 246 TYR a N 1 +ATOM 26889 C CA A TYR S 1 246 ? 24.087 -6.145 22.656 0.40 68.47 ? 246 TYR a CA 1 +ATOM 26890 C CA B TYR S 1 246 ? 24.101 -6.216 22.677 0.60 68.50 ? 246 TYR a CA 1 +ATOM 26891 C C A TYR S 1 246 ? 24.405 -5.416 23.952 0.40 67.13 ? 246 TYR a C 1 +ATOM 26892 C C B TYR S 1 246 ? 24.435 -5.470 23.962 0.60 67.16 ? 246 TYR a C 1 +ATOM 26893 O O A TYR S 1 246 ? 23.680 -5.529 24.940 0.40 66.95 ? 246 TYR a O 1 +ATOM 26894 O O B TYR S 1 246 ? 23.692 -5.522 24.941 0.60 66.99 ? 246 TYR a O 1 +ATOM 26895 C CB A TYR S 1 246 ? 23.740 -5.146 21.534 0.40 63.83 ? 246 TYR a CB 1 +ATOM 26896 C CB B TYR S 1 246 ? 23.744 -5.225 21.551 0.60 63.83 ? 246 TYR a CB 1 +ATOM 26897 C CG A TYR S 1 246 ? 22.686 -4.122 21.908 0.40 64.37 ? 246 TYR a CG 1 +ATOM 26898 C CG B TYR S 1 246 ? 22.708 -4.178 21.922 0.60 64.23 ? 246 TYR a CG 1 +ATOM 26899 C CD1 A TYR S 1 246 ? 21.352 -4.488 22.068 0.40 69.39 ? 246 TYR a CD1 1 +ATOM 26900 C CD1 B TYR S 1 246 ? 21.371 -4.522 22.107 0.60 69.41 ? 246 TYR a CD1 1 +ATOM 26901 C CD2 A TYR S 1 246 ? 23.027 -2.785 22.101 0.40 74.01 ? 246 TYR a CD2 1 +ATOM 26902 C CD2 B TYR S 1 246 ? 23.067 -2.839 22.072 0.60 74.12 ? 246 TYR a CD2 1 +ATOM 26903 C CE1 A TYR S 1 246 ? 20.377 -3.545 22.404 0.40 70.80 ? 246 TYR a CE1 1 +ATOM 26904 C CE1 B TYR S 1 246 ? 20.417 -3.558 22.438 0.60 70.85 ? 246 TYR a CE1 1 +ATOM 26905 C CE2 A TYR S 1 246 ? 22.063 -1.837 22.441 0.40 73.36 ? 246 TYR a CE2 1 +ATOM 26906 C CE2 B TYR S 1 246 ? 22.121 -1.871 22.401 0.60 73.44 ? 246 TYR a CE2 1 +ATOM 26907 C CZ A TYR S 1 246 ? 20.741 -2.230 22.587 0.40 73.12 ? 246 TYR a CZ 1 +ATOM 26908 C CZ B TYR S 1 246 ? 20.801 -2.242 22.581 0.60 73.10 ? 246 TYR a CZ 1 +ATOM 26909 O OH A TYR S 1 246 ? 19.783 -1.307 22.924 0.40 91.03 ? 246 TYR a OH 1 +ATOM 26910 O OH B TYR S 1 246 ? 19.864 -1.291 22.909 0.60 91.39 ? 246 TYR a OH 1 +ATOM 26911 N N A ASN S 1 247 ? 25.497 -4.656 23.931 0.40 61.67 ? 247 ASN a N 1 +ATOM 26912 N N B ASN S 1 247 ? 25.566 -4.766 23.938 0.60 61.72 ? 247 ASN a N 1 +ATOM 26913 C CA A ASN S 1 247 ? 26.037 -3.981 25.106 0.40 60.99 ? 247 ASN a CA 1 +ATOM 26914 C CA B ASN S 1 247 ? 26.093 -4.036 25.087 0.60 60.82 ? 247 ASN a CA 1 +ATOM 26915 C C A ASN S 1 247 ? 25.726 -2.494 24.966 0.40 64.68 ? 247 ASN a C 1 +ATOM 26916 C C B ASN S 1 247 ? 25.770 -2.553 24.908 0.60 64.64 ? 247 ASN a C 1 +ATOM 26917 O O A ASN S 1 247 ? 26.445 -1.764 24.276 0.40 60.61 ? 247 ASN a O 1 +ATOM 26918 O O B ASN S 1 247 ? 26.510 -1.823 24.240 0.60 60.49 ? 247 ASN a O 1 +ATOM 26919 C CB A ASN S 1 247 ? 27.540 -4.242 25.224 0.40 64.61 ? 247 ASN a CB 1 +ATOM 26920 C CB B ASN S 1 247 ? 27.595 -4.276 25.221 0.60 64.58 ? 247 ASN a CB 1 +ATOM 26921 C CG A ASN S 1 247 ? 28.170 -3.600 26.483 0.40 73.28 ? 247 ASN a CG 1 +ATOM 26922 C CG B ASN S 1 247 ? 28.192 -3.649 26.487 0.60 73.50 ? 247 ASN a CG 1 +ATOM 26923 O OD1 A ASN S 1 247 ? 27.678 -2.595 27.012 0.40 65.51 ? 247 ASN a OD1 1 +ATOM 26924 O OD1 B ASN S 1 247 ? 27.642 -2.704 27.058 0.60 65.70 ? 247 ASN a OD1 1 +ATOM 26925 N ND2 A ASN S 1 247 ? 29.281 -4.173 26.939 0.40 63.96 ? 247 ASN a ND2 1 +ATOM 26926 N ND2 B ASN S 1 247 ? 29.339 -4.173 26.915 0.60 63.83 ? 247 ASN a ND2 1 +ATOM 26927 N N A ILE S 1 248 ? 24.662 -2.038 25.635 0.40 68.06 ? 248 ILE a N 1 +ATOM 26928 N N B ILE S 1 248 ? 24.676 -2.099 25.530 0.60 67.92 ? 248 ILE a N 1 +ATOM 26929 C CA A ILE S 1 248 ? 24.223 -0.664 25.398 0.40 76.04 ? 248 ILE a CA 1 +ATOM 26930 C CA B ILE S 1 248 ? 24.256 -0.712 25.340 0.60 76.13 ? 248 ILE a CA 1 +ATOM 26931 C C A ILE S 1 248 ? 25.170 0.341 26.053 0.40 73.87 ? 248 ILE a C 1 +ATOM 26932 C C B ILE S 1 248 ? 25.213 0.271 26.010 0.60 73.97 ? 248 ILE a C 1 +ATOM 26933 O O A ILE S 1 248 ? 25.294 1.478 25.585 0.40 70.27 ? 248 ILE a O 1 +ATOM 26934 O O B ILE S 1 248 ? 25.292 1.437 25.598 0.60 70.17 ? 248 ILE a O 1 +ATOM 26935 C CB A ILE S 1 248 ? 22.766 -0.458 25.864 0.40 77.22 ? 248 ILE a CB 1 +ATOM 26936 C CB B ILE S 1 248 ? 22.813 -0.499 25.843 0.60 77.26 ? 248 ILE a CB 1 +ATOM 26937 C CG1 A ILE S 1 248 ? 22.202 0.842 25.268 0.40 85.00 ? 248 ILE a CG1 1 +ATOM 26938 C CG1 B ILE S 1 248 ? 22.237 0.801 25.267 0.60 85.06 ? 248 ILE a CG1 1 +ATOM 26939 C CG2 A ILE S 1 248 ? 22.671 -0.419 27.370 0.40 74.52 ? 248 ILE a CG2 1 +ATOM 26940 C CG2 B ILE S 1 248 ? 22.763 -0.483 27.356 0.60 74.41 ? 248 ILE a CG2 1 +ATOM 26941 C CD1 A ILE S 1 248 ? 20.834 1.237 25.790 0.40 92.88 ? 248 ILE a CD1 1 +ATOM 26942 C CD1 B ILE S 1 248 ? 20.839 1.136 25.748 0.60 93.11 ? 248 ILE a CD1 1 +ATOM 26943 N N A VAL S 1 249 ? 25.872 -0.058 27.114 0.40 68.29 ? 249 VAL a N 1 +ATOM 26944 N N B VAL S 1 249 ? 25.956 -0.165 27.028 0.60 67.92 ? 249 VAL a N 1 +ATOM 26945 C CA A VAL S 1 249 ? 26.864 0.834 27.699 0.40 72.89 ? 249 VAL a CA 1 +ATOM 26946 C CA B VAL S 1 249 ? 26.943 0.719 27.633 0.60 72.92 ? 249 VAL a CA 1 +ATOM 26947 C C A VAL S 1 249 ? 28.022 1.040 26.727 0.40 70.30 ? 249 VAL a C 1 +ATOM 26948 C C B VAL S 1 249 ? 28.105 0.943 26.672 0.60 70.32 ? 249 VAL a C 1 +ATOM 26949 O O A VAL S 1 249 ? 28.536 2.158 26.581 0.40 63.53 ? 249 VAL a O 1 +ATOM 26950 O O B VAL S 1 249 ? 28.605 2.067 26.529 0.60 63.36 ? 249 VAL a O 1 +ATOM 26951 C CB A VAL S 1 249 ? 27.322 0.289 29.068 0.40 78.03 ? 249 VAL a CB 1 +ATOM 26952 C CB B VAL S 1 249 ? 27.399 0.146 28.991 0.60 78.56 ? 249 VAL a CB 1 +ATOM 26953 C CG1 A VAL S 1 249 ? 28.546 1.040 29.578 0.40 65.87 ? 249 VAL a CG1 1 +ATOM 26954 C CG1 B VAL S 1 249 ? 28.576 0.930 29.556 0.60 65.64 ? 249 VAL a CG1 1 +ATOM 26955 C CG2 A VAL S 1 249 ? 26.183 0.399 30.075 0.40 66.93 ? 249 VAL a CG2 1 +ATOM 26956 C CG2 B VAL S 1 249 ? 26.233 0.148 29.974 0.60 66.89 ? 249 VAL a CG2 1 +ATOM 26957 N N A ALA S 1 250 ? 28.431 -0.024 26.028 0.40 65.84 ? 250 ALA a N 1 +ATOM 26958 N N B ALA S 1 250 ? 28.529 -0.112 25.970 0.60 65.77 ? 250 ALA a N 1 +ATOM 26959 C CA A ALA S 1 250 ? 29.458 0.110 24.993 0.40 70.30 ? 250 ALA a CA 1 +ATOM 26960 C CA B ALA S 1 250 ? 29.545 0.049 24.932 0.60 70.36 ? 250 ALA a CA 1 +ATOM 26961 C C A ALA S 1 250 ? 28.998 1.010 23.845 0.40 67.00 ? 250 ALA a C 1 +ATOM 26962 C C B ALA S 1 250 ? 29.059 0.947 23.792 0.60 67.05 ? 250 ALA a C 1 +ATOM 26963 O O A ALA S 1 250 ? 29.795 1.790 23.306 0.40 63.32 ? 250 ALA a O 1 +ATOM 26964 O O B ALA S 1 250 ? 29.835 1.749 23.256 0.60 63.35 ? 250 ALA a O 1 +ATOM 26965 C CB A ALA S 1 250 ? 29.861 -1.267 24.460 0.40 63.26 ? 250 ALA a CB 1 +ATOM 26966 C CB B ALA S 1 250 ? 29.975 -1.319 24.399 0.60 62.73 ? 250 ALA a CB 1 +ATOM 26967 N N A ALA S 1 251 ? 27.724 0.910 23.446 0.40 62.28 ? 251 ALA a N 1 +ATOM 26968 N N B ALA S 1 251 ? 27.782 0.838 23.409 0.60 62.06 ? 251 ALA a N 1 +ATOM 26969 C CA A ALA S 1 251 ? 27.231 1.771 22.370 0.40 69.11 ? 251 ALA a CA 1 +ATOM 26970 C CA B ALA S 1 251 ? 27.259 1.702 22.352 0.60 69.12 ? 251 ALA a CA 1 +ATOM 26971 C C A ALA S 1 251 ? 27.218 3.234 22.803 0.40 76.27 ? 251 ALA a C 1 +ATOM 26972 C C B ALA S 1 251 ? 27.230 3.163 22.799 0.60 76.63 ? 251 ALA a C 1 +ATOM 26973 O O A ALA S 1 251 ? 27.610 4.125 22.036 0.40 64.67 ? 251 ALA a O 1 +ATOM 26974 O O B ALA S 1 251 ? 27.608 4.067 22.041 0.60 64.69 ? 251 ALA a O 1 +ATOM 26975 C CB A ALA S 1 251 ? 25.834 1.332 21.934 0.40 61.95 ? 251 ALA a CB 1 +ATOM 26976 C CB B ALA S 1 251 ? 25.865 1.239 21.930 0.60 61.87 ? 251 ALA a CB 1 +ATOM 26977 N N A HIS S 1 252 ? 26.770 3.497 24.031 0.40 62.82 ? 252 HIS a N 1 +ATOM 26978 N N B HIS S 1 252 ? 26.779 3.409 24.032 0.60 62.66 ? 252 HIS a N 1 +ATOM 26979 C CA A HIS S 1 252 ? 26.756 4.863 24.541 0.40 64.79 ? 252 HIS a CA 1 +ATOM 26980 C CA B HIS S 1 252 ? 26.771 4.767 24.563 0.60 64.48 ? 252 HIS a CA 1 +ATOM 26981 C C A HIS S 1 252 ? 28.176 5.391 24.710 0.40 66.99 ? 252 HIS a C 1 +ATOM 26982 C C B HIS S 1 252 ? 28.190 5.305 24.714 0.60 66.95 ? 252 HIS a C 1 +ATOM 26983 O O A HIS S 1 252 ? 28.454 6.560 24.412 0.40 64.78 ? 252 HIS a O 1 +ATOM 26984 O O B HIS S 1 252 ? 28.446 6.491 24.468 0.60 64.61 ? 252 HIS a O 1 +ATOM 26985 C CB A HIS S 1 252 ? 25.979 4.892 25.857 0.40 73.18 ? 252 HIS a CB 1 +ATOM 26986 C CB B HIS S 1 252 ? 26.028 4.780 25.899 0.60 72.99 ? 252 HIS a CB 1 +ATOM 26987 C CG A HIS S 1 252 ? 26.081 6.183 26.604 0.40 86.23 ? 252 HIS a CG 1 +ATOM 26988 C CG B HIS S 1 252 ? 26.097 6.086 26.625 0.60 86.30 ? 252 HIS a CG 1 +ATOM 26989 N ND1 A HIS S 1 252 ? 25.456 7.341 26.188 0.40 88.41 ? 252 HIS a ND1 1 +ATOM 26990 N ND1 B HIS S 1 252 ? 25.509 7.238 26.146 0.60 88.61 ? 252 HIS a ND1 1 +ATOM 26991 C CD2 A HIS S 1 252 ? 26.717 6.492 27.760 0.40 76.49 ? 252 HIS a CD2 1 +ATOM 26992 C CD2 B HIS S 1 252 ? 26.674 6.419 27.805 0.60 76.25 ? 252 HIS a CD2 1 +ATOM 26993 C CE1 A HIS S 1 252 ? 25.716 8.310 27.047 0.40 90.23 ? 252 HIS a CE1 1 +ATOM 26994 C CE1 B HIS S 1 252 ? 25.728 8.226 26.995 0.60 90.22 ? 252 HIS a CE1 1 +ATOM 26995 N NE2 A HIS S 1 252 ? 26.477 7.821 28.010 0.40 87.05 ? 252 HIS a NE2 1 +ATOM 26996 N NE2 B HIS S 1 252 ? 26.431 7.755 28.010 0.60 86.99 ? 252 HIS a NE2 1 +ATOM 26997 N N A GLY S 1 253 ? 29.097 4.532 25.153 0.40 65.35 ? 253 GLY a N 1 +ATOM 26998 N N B GLY S 1 253 ? 29.129 4.445 25.113 0.60 65.15 ? 253 GLY a N 1 +ATOM 26999 C CA A GLY S 1 253 ? 30.486 4.943 25.249 0.40 65.45 ? 253 GLY a CA 1 +ATOM 27000 C CA B GLY S 1 253 ? 30.510 4.872 25.220 0.60 65.15 ? 253 GLY a CA 1 +ATOM 27001 C C A GLY S 1 253 ? 31.080 5.306 23.906 0.40 68.32 ? 253 GLY a C 1 +ATOM 27002 C C B GLY S 1 253 ? 31.114 5.245 23.885 0.60 68.37 ? 253 GLY a C 1 +ATOM 27003 O O A GLY S 1 253 ? 31.941 6.187 23.818 0.40 66.91 ? 253 GLY a O 1 +ATOM 27004 O O B GLY S 1 253 ? 31.976 6.125 23.813 0.60 66.87 ? 253 GLY a O 1 +ATOM 27005 N N A TYR S 1 254 ? 30.643 4.630 22.841 0.40 70.43 ? 254 TYR a N 1 +ATOM 27006 N N B TYR S 1 254 ? 30.681 4.580 22.811 0.60 70.50 ? 254 TYR a N 1 +ATOM 27007 C CA A TYR S 1 254 ? 31.066 5.032 21.505 0.40 61.86 ? 254 TYR a CA 1 +ATOM 27008 C CA B TYR S 1 254 ? 31.125 4.975 21.480 0.60 61.78 ? 254 TYR a CA 1 +ATOM 27009 C C A TYR S 1 254 ? 30.406 6.346 21.098 0.40 58.50 ? 254 TYR a C 1 +ATOM 27010 C C B TYR S 1 254 ? 30.469 6.283 21.055 0.60 58.37 ? 254 TYR a C 1 +ATOM 27011 O O A TYR S 1 254 ? 31.081 7.296 20.677 0.40 61.14 ? 254 TYR a O 1 +ATOM 27012 O O B TYR S 1 254 ? 31.147 7.217 20.608 0.60 61.12 ? 254 TYR a O 1 +ATOM 27013 C CB A TYR S 1 254 ? 30.745 3.930 20.484 0.40 61.36 ? 254 TYR a CB 1 +ATOM 27014 C CB B TYR S 1 254 ? 30.817 3.872 20.460 0.60 61.32 ? 254 TYR a CB 1 +ATOM 27015 C CG A TYR S 1 254 ? 30.880 4.414 19.048 0.40 59.76 ? 254 TYR a CG 1 +ATOM 27016 C CG B TYR S 1 254 ? 30.932 4.362 19.025 0.60 59.84 ? 254 TYR a CG 1 +ATOM 27017 C CD1 A TYR S 1 254 ? 32.119 4.416 18.408 0.40 57.73 ? 254 TYR a CD1 1 +ATOM 27018 C CD1 B TYR S 1 254 ? 32.161 4.376 18.373 0.60 57.70 ? 254 TYR a CD1 1 +ATOM 27019 C CD2 A TYR S 1 254 ? 29.776 4.897 18.347 0.40 54.51 ? 254 TYR a CD2 1 +ATOM 27020 C CD2 B TYR S 1 254 ? 29.817 4.839 18.337 0.60 54.47 ? 254 TYR a CD2 1 +ATOM 27021 C CE1 A TYR S 1 254 ? 32.251 4.865 17.109 0.40 58.35 ? 254 TYR a CE1 1 +ATOM 27022 C CE1 B TYR S 1 254 ? 32.277 4.831 17.073 0.60 58.32 ? 254 TYR a CE1 1 +ATOM 27023 C CE2 A TYR S 1 254 ? 29.896 5.353 17.045 0.40 56.56 ? 254 TYR a CE2 1 +ATOM 27024 C CE2 B TYR S 1 254 ? 29.922 5.304 17.037 0.60 56.59 ? 254 TYR a CE2 1 +ATOM 27025 C CZ A TYR S 1 254 ? 31.135 5.332 16.434 0.40 58.34 ? 254 TYR a CZ 1 +ATOM 27026 C CZ B TYR S 1 254 ? 31.155 5.294 16.409 0.60 58.35 ? 254 TYR a CZ 1 +ATOM 27027 O OH A TYR S 1 254 ? 31.270 5.778 15.148 0.40 59.07 ? 254 TYR a OH 1 +ATOM 27028 O OH B TYR S 1 254 ? 31.270 5.755 15.118 0.60 59.23 ? 254 TYR a OH 1 +ATOM 27029 N N A PHE S 1 255 ? 29.083 6.422 21.224 0.40 57.62 ? 255 PHE a N 1 +ATOM 27030 N N B PHE S 1 255 ? 29.143 6.358 21.168 0.60 57.42 ? 255 PHE a N 1 +ATOM 27031 C CA A PHE S 1 255 ? 28.372 7.558 20.654 0.40 63.90 ? 255 PHE a CA 1 +ATOM 27032 C CA B PHE S 1 255 ? 28.420 7.481 20.585 0.60 63.65 ? 255 PHE a CA 1 +ATOM 27033 C C A PHE S 1 255 ? 28.645 8.840 21.432 0.40 68.07 ? 255 PHE a C 1 +ATOM 27034 C C B PHE S 1 255 ? 28.705 8.773 21.341 0.60 67.96 ? 255 PHE a C 1 +ATOM 27035 O O A PHE S 1 255 ? 28.717 9.925 20.835 0.40 65.19 ? 255 PHE a O 1 +ATOM 27036 O O B PHE S 1 255 ? 28.819 9.843 20.731 0.60 64.60 ? 255 PHE a O 1 +ATOM 27037 C CB A PHE S 1 255 ? 26.874 7.253 20.597 0.40 71.01 ? 255 PHE a CB 1 +ATOM 27038 C CB B PHE S 1 255 ? 26.921 7.176 20.556 0.60 70.92 ? 255 PHE a CB 1 +ATOM 27039 C CG A PHE S 1 255 ? 26.076 8.292 19.868 0.40 75.05 ? 255 PHE a CG 1 +ATOM 27040 C CG B PHE S 1 255 ? 26.105 8.218 19.847 0.60 75.00 ? 255 PHE a CG 1 +ATOM 27041 C CD1 A PHE S 1 255 ? 26.481 8.742 18.619 0.40 78.18 ? 255 PHE a CD1 1 +ATOM 27042 C CD1 B PHE S 1 255 ? 26.494 8.691 18.601 0.60 78.19 ? 255 PHE a CD1 1 +ATOM 27043 C CD2 A PHE S 1 255 ? 24.920 8.809 20.421 0.40 78.20 ? 255 PHE a CD2 1 +ATOM 27044 C CD2 B PHE S 1 255 ? 24.946 8.714 20.416 0.60 77.90 ? 255 PHE a CD2 1 +ATOM 27045 C CE1 A PHE S 1 255 ? 25.751 9.708 17.947 0.40 81.21 ? 255 PHE a CE1 1 +ATOM 27046 C CE1 B PHE S 1 255 ? 25.750 9.654 17.946 0.60 81.24 ? 255 PHE a CE1 1 +ATOM 27047 C CE2 A PHE S 1 255 ? 24.182 9.771 19.761 0.40 92.09 ? 255 PHE a CE2 1 +ATOM 27048 C CE2 B PHE S 1 255 ? 24.194 9.677 19.767 0.60 92.22 ? 255 PHE a CE2 1 +ATOM 27049 C CZ A PHE S 1 255 ? 24.596 10.222 18.518 0.40 91.04 ? 255 PHE a CZ 1 +ATOM 27050 C CZ B PHE S 1 255 ? 24.596 10.147 18.529 0.60 91.18 ? 255 PHE a CZ 1 +ATOM 27051 N N A GLY S 1 256 ? 28.806 8.733 22.756 0.40 72.59 ? 256 GLY a N 1 +ATOM 27052 N N B GLY S 1 256 ? 28.843 8.682 22.667 0.60 72.75 ? 256 GLY a N 1 +ATOM 27053 C CA A GLY S 1 256 ? 29.130 9.902 23.554 0.40 66.94 ? 256 GLY a CA 1 +ATOM 27054 C CA B GLY S 1 256 ? 29.151 9.860 23.462 0.60 66.69 ? 256 GLY a CA 1 +ATOM 27055 C C A GLY S 1 256 ? 30.463 10.514 23.174 0.40 69.30 ? 256 GLY a C 1 +ATOM 27056 C C B GLY S 1 256 ? 30.497 10.464 23.114 0.60 69.17 ? 256 GLY a C 1 +ATOM 27057 O O A GLY S 1 256 ? 30.595 11.735 23.101 0.40 72.85 ? 256 GLY a O 1 +ATOM 27058 O O B GLY S 1 256 ? 30.642 11.686 23.051 0.60 72.79 ? 256 GLY a O 1 +ATOM 27059 N N A ARG S 1 257 ? 31.468 9.683 22.914 0.40 65.32 ? 257 ARG a N 1 +ATOM 27060 N N B ARG S 1 257 ? 31.504 9.623 22.872 0.60 65.22 ? 257 ARG a N 1 +ATOM 27061 C CA A ARG S 1 257 ? 32.741 10.252 22.483 0.40 59.20 ? 257 ARG a CA 1 +ATOM 27062 C CA B ARG S 1 257 ? 32.788 10.172 22.446 0.60 58.99 ? 257 ARG a CA 1 +ATOM 27063 C C A ARG S 1 257 ? 32.680 10.750 21.040 0.40 68.62 ? 257 ARG a C 1 +ATOM 27064 C C B ARG S 1 257 ? 32.742 10.656 20.999 0.60 68.76 ? 257 ARG a C 1 +ATOM 27065 O O A ARG S 1 257 ? 33.401 11.691 20.687 0.40 71.77 ? 257 ARG a O 1 +ATOM 27066 O O B ARG S 1 257 ? 33.494 11.567 20.633 0.60 72.04 ? 257 ARG a O 1 +ATOM 27067 C CB A ARG S 1 257 ? 33.867 9.234 22.664 0.40 64.68 ? 257 ARG a CB 1 +ATOM 27068 C CB B ARG S 1 257 ? 33.898 9.138 22.642 0.60 64.56 ? 257 ARG a CB 1 +ATOM 27069 C CG A ARG S 1 257 ? 34.105 8.872 24.131 0.40 76.75 ? 257 ARG a CG 1 +ATOM 27070 C CG B ARG S 1 257 ? 34.176 8.853 24.105 0.60 76.77 ? 257 ARG a CG 1 +ATOM 27071 C CD A ARG S 1 257 ? 35.197 7.826 24.319 0.40 79.49 ? 257 ARG a CD 1 +ATOM 27072 C CD B ARG S 1 257 ? 35.245 7.792 24.312 0.60 79.50 ? 257 ARG a CD 1 +ATOM 27073 N NE A ARG S 1 257 ? 35.483 7.625 25.736 0.40 83.88 ? 257 ARG a NE 1 +ATOM 27074 N NE B ARG S 1 257 ? 35.527 7.607 25.732 0.60 83.82 ? 257 ARG a NE 1 +ATOM 27075 C CZ A ARG S 1 257 ? 34.825 6.789 26.528 0.40 85.02 ? 257 ARG a CZ 1 +ATOM 27076 C CZ B ARG S 1 257 ? 34.837 6.813 26.539 0.60 84.86 ? 257 ARG a CZ 1 +ATOM 27077 N NH1 A ARG S 1 257 ? 33.843 6.030 26.072 0.40 83.22 ? 257 ARG a NH1 1 +ATOM 27078 N NH1 B ARG S 1 257 ? 33.829 6.080 26.094 0.60 83.15 ? 257 ARG a NH1 1 +ATOM 27079 N NH2 A ARG S 1 257 ? 35.160 6.712 27.812 0.40 92.31 ? 257 ARG a NH2 1 +ATOM 27080 N NH2 B ARG S 1 257 ? 35.163 6.753 27.825 0.60 92.17 ? 257 ARG a NH2 1 +ATOM 27081 N N A LEU S 1 258 ? 31.829 10.146 20.198 0.40 67.49 ? 258 LEU a N 1 +ATOM 27082 N N B LEU S 1 258 ? 31.874 10.068 20.163 0.60 67.44 ? 258 LEU a N 1 +ATOM 27083 C CA A LEU S 1 258 ? 31.720 10.583 18.808 0.40 70.52 ? 258 LEU a CA 1 +ATOM 27084 C CA B LEU S 1 258 ? 31.768 10.514 18.776 0.60 70.56 ? 258 LEU a CA 1 +ATOM 27085 C C A LEU S 1 258 ? 31.287 12.042 18.726 0.40 70.14 ? 258 LEU a C 1 +ATOM 27086 C C B LEU S 1 258 ? 31.318 11.969 18.697 0.60 70.16 ? 258 LEU a C 1 +ATOM 27087 O O A LEU S 1 258 ? 31.887 12.838 17.996 0.40 63.17 ? 258 LEU a O 1 +ATOM 27088 O O B LEU S 1 258 ? 31.866 12.754 17.912 0.60 62.64 ? 258 LEU a O 1 +ATOM 27089 C CB A LEU S 1 258 ? 30.741 9.690 18.043 0.40 65.10 ? 258 LEU a CB 1 +ATOM 27090 C CB B LEU S 1 258 ? 30.807 9.611 18.002 0.60 64.97 ? 258 LEU a CB 1 +ATOM 27091 C CG A LEU S 1 258 ? 30.600 10.045 16.561 0.40 64.92 ? 258 LEU a CG 1 +ATOM 27092 C CG B LEU S 1 258 ? 30.667 9.984 16.523 0.60 64.94 ? 258 LEU a CG 1 +ATOM 27093 C CD1 A LEU S 1 258 ? 31.950 9.936 15.850 0.40 54.44 ? 258 LEU a CD1 1 +ATOM 27094 C CD1 B LEU S 1 258 ? 32.011 9.872 15.814 0.60 54.35 ? 258 LEU a CD1 1 +ATOM 27095 C CD2 A LEU S 1 258 ? 29.539 9.187 15.872 0.40 63.72 ? 258 LEU a CD2 1 +ATOM 27096 C CD2 B LEU S 1 258 ? 29.613 9.133 15.840 0.60 63.72 ? 258 LEU a CD2 1 +ATOM 27097 N N A ILE S 1 259 ? 30.244 12.406 19.470 0.40 61.29 ? 259 ILE a N 1 +ATOM 27098 N N B ILE S 1 259 ? 30.319 12.342 19.499 0.60 60.97 ? 259 ILE a N 1 +ATOM 27099 C CA A ILE S 1 259 ? 29.826 13.800 19.596 0.40 71.22 ? 259 ILE a CA 1 +ATOM 27100 C CA B ILE S 1 259 ? 29.891 13.734 19.630 0.60 71.23 ? 259 ILE a CA 1 +ATOM 27101 C C A ILE S 1 259 ? 30.360 14.358 20.918 0.40 77.13 ? 259 ILE a C 1 +ATOM 27102 C C B ILE S 1 259 ? 30.428 14.269 20.956 0.60 77.14 ? 259 ILE a C 1 +ATOM 27103 O O A ILE S 1 259 ? 31.528 14.751 21.017 0.40 75.35 ? 259 ILE a O 1 +ATOM 27104 O O B ILE S 1 259 ? 31.627 14.539 21.092 0.60 74.63 ? 259 ILE a O 1 +ATOM 27105 C CB A ILE S 1 259 ? 28.293 13.922 19.511 0.40 78.61 ? 259 ILE a CB 1 +ATOM 27106 C CB B ILE S 1 259 ? 28.357 13.858 19.552 0.60 78.67 ? 259 ILE a CB 1 +ATOM 27107 C CG1 A ILE S 1 259 ? 27.744 13.055 18.370 0.40 71.09 ? 259 ILE a CG1 1 +ATOM 27108 C CG1 B ILE S 1 259 ? 27.803 12.977 18.427 0.60 70.96 ? 259 ILE a CG1 1 +ATOM 27109 C CG2 A ILE S 1 259 ? 27.881 15.378 19.352 0.40 78.96 ? 259 ILE a CG2 1 +ATOM 27110 C CG2 B ILE S 1 259 ? 27.939 15.314 19.354 0.60 78.86 ? 259 ILE a CG2 1 +ATOM 27111 C CD1 A ILE S 1 259 ? 28.293 13.400 16.986 0.40 69.71 ? 259 ILE a CD1 1 +ATOM 27112 C CD1 B ILE S 1 259 ? 28.309 13.350 17.045 0.60 69.71 ? 259 ILE a CD1 1 +ATOM 27113 N N A PHE S 1 260 ? 29.504 14.414 21.937 0.40 76.93 ? 260 PHE a N 1 +ATOM 27114 N N B PHE S 1 260 ? 29.543 14.433 21.937 0.60 76.92 ? 260 PHE a N 1 +ATOM 27115 C CA A PHE S 1 260 ? 29.929 14.640 23.316 0.40 83.42 ? 260 PHE a CA 1 +ATOM 27116 C CA B PHE S 1 260 ? 29.935 14.635 23.326 0.60 83.46 ? 260 PHE a CA 1 +ATOM 27117 C C A PHE S 1 260 ? 28.998 13.829 24.205 0.40 80.61 ? 260 PHE a C 1 +ATOM 27118 C C B PHE S 1 260 ? 29.007 13.790 24.187 0.60 80.47 ? 260 PHE a C 1 +ATOM 27119 O O A PHE S 1 260 ? 27.938 13.373 23.764 0.40 78.21 ? 260 PHE a O 1 +ATOM 27120 O O B PHE S 1 260 ? 27.962 13.323 23.724 0.60 77.99 ? 260 PHE a O 1 +ATOM 27121 C CB A PHE S 1 260 ? 29.947 16.128 23.704 0.40 71.71 ? 260 PHE a CB 1 +ATOM 27122 C CB B PHE S 1 260 ? 29.914 16.118 23.745 0.60 71.32 ? 260 PHE a CB 1 +ATOM 27123 C CG A PHE S 1 260 ? 28.755 16.898 23.232 0.40 92.52 ? 260 PHE a CG 1 +ATOM 27124 C CG B PHE S 1 260 ? 28.732 16.883 23.232 0.60 92.59 ? 260 PHE a CG 1 +ATOM 27125 C CD1 A PHE S 1 260 ? 28.778 17.551 22.003 0.40 98.87 ? 260 PHE a CD1 1 +ATOM 27126 C CD1 B PHE S 1 260 ? 28.787 17.524 22.001 0.60 98.99 ? 260 PHE a CD1 1 +ATOM 27127 C CD2 A PHE S 1 260 ? 27.614 16.986 24.016 0.40 98.42 ? 260 PHE a CD2 1 +ATOM 27128 C CD2 B PHE S 1 260 ? 27.570 16.970 23.982 0.60 98.42 ? 260 PHE a CD2 1 +ATOM 27129 C CE1 A PHE S 1 260 ? 27.678 18.267 21.555 0.40 99.55 ? 260 PHE a CE1 1 +ATOM 27130 C CE1 B PHE S 1 260 ? 27.697 18.231 21.518 0.60 99.49 ? 260 PHE a CE1 1 +ATOM 27131 C CE2 A PHE S 1 260 ? 26.512 17.703 23.580 0.40 107.34 ? 260 PHE a CE2 1 +ATOM 27132 C CE2 B PHE S 1 260 ? 26.478 17.677 23.509 0.60 107.41 ? 260 PHE a CE2 1 +ATOM 27133 C CZ A PHE S 1 260 ? 26.546 18.346 22.344 0.40 106.93 ? 260 PHE a CZ 1 +ATOM 27134 C CZ B PHE S 1 260 ? 26.543 18.310 22.273 0.60 106.91 ? 260 PHE a CZ 1 +ATOM 27135 N N A GLN S 1 261 ? 29.418 13.621 25.457 0.40 91.42 ? 261 GLN a N 1 +ATOM 27136 N N B GLN S 1 261 ? 29.413 13.570 25.442 0.60 91.45 ? 261 GLN a N 1 +ATOM 27137 C CA A GLN S 1 261 ? 28.795 12.573 26.265 0.40 91.82 ? 261 GLN a CA 1 +ATOM 27138 C CA B GLN S 1 261 ? 28.783 12.521 26.241 0.60 91.75 ? 261 GLN a CA 1 +ATOM 27139 C C A GLN S 1 261 ? 27.292 12.778 26.424 0.40 97.13 ? 261 GLN a C 1 +ATOM 27140 C C B GLN S 1 261 ? 27.281 12.729 26.394 0.60 97.09 ? 261 GLN a C 1 +ATOM 27141 O O A GLN S 1 261 ? 26.537 11.800 26.493 0.40 95.16 ? 261 GLN a O 1 +ATOM 27142 O O B GLN S 1 261 ? 26.521 11.753 26.430 0.60 95.02 ? 261 GLN a O 1 +ATOM 27143 C CB A GLN S 1 261 ? 29.452 12.489 27.640 0.40 100.98 ? 261 GLN a CB 1 +ATOM 27144 C CB B GLN S 1 261 ? 29.433 12.432 27.620 0.60 100.97 ? 261 GLN a CB 1 +ATOM 27145 C CG A GLN S 1 261 ? 28.979 11.279 28.437 0.40 102.88 ? 261 GLN a CG 1 +ATOM 27146 C CG B GLN S 1 261 ? 28.935 11.241 28.434 0.60 102.85 ? 261 GLN a CG 1 +ATOM 27147 C CD A GLN S 1 261 ? 28.981 11.503 29.935 0.40 108.32 ? 261 GLN a CD 1 +ATOM 27148 C CD B GLN S 1 261 ? 29.016 11.459 29.931 0.60 108.33 ? 261 GLN a CD 1 +ATOM 27149 O OE1 A GLN S 1 261 ? 29.803 12.251 30.465 0.40 113.93 ? 261 GLN a OE1 1 +ATOM 27150 O OE1 B GLN S 1 261 ? 29.879 12.186 30.423 0.60 113.94 ? 261 GLN a OE1 1 +ATOM 27151 N NE2 A GLN S 1 261 ? 28.050 10.855 30.627 0.40 108.29 ? 261 GLN a NE2 1 +ATOM 27152 N NE2 B GLN S 1 261 ? 28.106 10.829 30.666 0.60 108.29 ? 261 GLN a NE2 1 +ATOM 27153 N N A TYR S 1 262 ? 26.836 14.025 26.460 0.40 97.15 ? 262 TYR a N 1 +ATOM 27154 N N B TYR S 1 262 ? 26.833 13.976 26.468 0.60 97.06 ? 262 TYR a N 1 +ATOM 27155 C CA A TYR S 1 262 ? 25.462 14.329 26.830 0.40 104.43 ? 262 TYR a CA 1 +ATOM 27156 C CA B TYR S 1 262 ? 25.455 14.269 26.834 0.60 104.42 ? 262 TYR a CA 1 +ATOM 27157 C C A TYR S 1 262 ? 24.534 14.487 25.633 0.40 100.09 ? 262 TYR a C 1 +ATOM 27158 C C B TYR S 1 262 ? 24.531 14.421 25.634 0.60 99.94 ? 262 TYR a C 1 +ATOM 27159 O O A TYR S 1 262 ? 23.353 14.796 25.815 0.40 105.74 ? 262 TYR a O 1 +ATOM 27160 O O B TYR S 1 262 ? 23.341 14.699 25.815 0.60 105.60 ? 262 TYR a O 1 +ATOM 27161 C CB A TYR S 1 262 ? 25.441 15.580 27.712 0.40 109.64 ? 262 TYR a CB 1 +ATOM 27162 C CB B TYR S 1 262 ? 25.425 15.520 27.715 0.60 109.51 ? 262 TYR a CB 1 +ATOM 27163 C CG A TYR S 1 262 ? 26.340 15.419 28.919 0.40 112.51 ? 262 TYR a CG 1 +ATOM 27164 C CG B TYR S 1 262 ? 26.327 15.369 28.919 0.60 112.36 ? 262 TYR a CG 1 +ATOM 27165 C CD1 A TYR S 1 262 ? 27.664 15.841 28.887 0.40 115.41 ? 262 TYR a CD1 1 +ATOM 27166 C CD1 B TYR S 1 262 ? 27.632 15.841 28.900 0.60 115.40 ? 262 TYR a CD1 1 +ATOM 27167 C CD2 A TYR S 1 262 ? 25.877 14.808 30.075 0.40 115.96 ? 262 TYR a CD2 1 +ATOM 27168 C CD2 B TYR S 1 262 ? 25.884 14.717 30.062 0.60 115.90 ? 262 TYR a CD2 1 +ATOM 27169 C CE1 A TYR S 1 262 ? 28.493 15.677 29.982 0.40 121.62 ? 262 TYR a CE1 1 +ATOM 27170 C CE1 B TYR S 1 262 ? 28.464 15.688 29.994 0.60 121.69 ? 262 TYR a CE1 1 +ATOM 27171 C CE2 A TYR S 1 262 ? 26.697 14.641 31.175 0.40 118.17 ? 262 TYR a CE2 1 +ATOM 27172 C CE2 B TYR S 1 262 ? 26.707 14.559 31.160 0.60 118.08 ? 262 TYR a CE2 1 +ATOM 27173 C CZ A TYR S 1 262 ? 28.004 15.078 31.124 0.40 123.77 ? 262 TYR a CZ 1 +ATOM 27174 C CZ B TYR S 1 262 ? 27.995 15.046 31.122 0.60 123.80 ? 262 TYR a CZ 1 +ATOM 27175 O OH A TYR S 1 262 ? 28.827 14.915 32.217 0.40 130.07 ? 262 TYR a OH 1 +ATOM 27176 O OH B TYR S 1 262 ? 28.817 14.890 32.217 0.60 130.16 ? 262 TYR a OH 1 +ATOM 27177 N N A ALA S 1 263 ? 25.031 14.269 24.420 0.40 110.15 ? 263 ALA a N 1 +ATOM 27178 N N B ALA S 1 263 ? 25.037 14.233 24.421 0.60 110.19 ? 263 ALA a N 1 +ATOM 27179 C CA A ALA S 1 263 ? 24.174 14.129 23.252 0.40 114.56 ? 263 ALA a CA 1 +ATOM 27180 C CA B ALA S 1 263 ? 24.193 14.097 23.244 0.60 114.70 ? 263 ALA a CA 1 +ATOM 27181 C C A ALA S 1 263 ? 23.796 12.676 22.980 0.40 106.76 ? 263 ALA a C 1 +ATOM 27182 C C B ALA S 1 263 ? 23.834 12.643 22.956 0.60 106.75 ? 263 ALA a C 1 +ATOM 27183 O O A ALA S 1 263 ? 23.133 12.397 21.974 0.40 108.41 ? 263 ALA a O 1 +ATOM 27184 O O B ALA S 1 263 ? 23.218 12.359 21.925 0.60 108.52 ? 263 ALA a O 1 +ATOM 27185 C CB A ALA S 1 263 ? 24.860 14.727 22.017 0.40 103.45 ? 263 ALA a CB 1 +ATOM 27186 C CB B ALA S 1 263 ? 24.878 14.719 22.024 0.60 103.34 ? 263 ALA a CB 1 +ATOM 27187 N N A SER S 1 264 ? 24.193 11.749 23.848 0.40 100.58 ? 264 SER a N 1 +ATOM 27188 N N B SER S 1 264 ? 24.198 11.723 23.847 0.60 100.55 ? 264 SER a N 1 +ATOM 27189 C CA A SER S 1 264 ? 24.016 10.323 23.616 0.40 98.94 ? 264 SER a CA 1 +ATOM 27190 C CA B SER S 1 264 ? 24.032 10.293 23.623 0.60 98.98 ? 264 SER a CA 1 +ATOM 27191 C C A SER S 1 264 ? 23.027 9.755 24.627 0.40 96.48 ? 264 SER a C 1 +ATOM 27192 C C B SER S 1 264 ? 23.051 9.730 24.642 0.60 96.47 ? 264 SER a C 1 +ATOM 27193 O O A SER S 1 264 ? 23.185 9.955 25.835 0.40 92.96 ? 264 SER a O 1 +ATOM 27194 O O B SER S 1 264 ? 23.248 9.889 25.851 0.60 92.85 ? 264 SER a O 1 +ATOM 27195 C CB A SER S 1 264 ? 25.354 9.586 23.714 0.40 89.22 ? 264 SER a CB 1 +ATOM 27196 C CB B SER S 1 264 ? 25.377 9.569 23.716 0.60 89.18 ? 264 SER a CB 1 +ATOM 27197 O OG A SER S 1 264 ? 25.200 8.197 23.451 0.40 88.29 ? 264 SER a OG 1 +ATOM 27198 O OG B SER S 1 264 ? 25.223 8.174 23.495 0.60 88.37 ? 264 SER a OG 1 +ATOM 27199 N N A PHE S 1 265 ? 22.011 9.053 24.127 0.40 102.51 ? 265 PHE a N 1 +ATOM 27200 N N B PHE S 1 265 ? 22.001 9.075 24.151 0.60 102.66 ? 265 PHE a N 1 +ATOM 27201 C CA A PHE S 1 265 ? 21.081 8.350 25.001 0.40 98.02 ? 265 PHE a CA 1 +ATOM 27202 C CA B PHE S 1 265 ? 21.070 8.378 25.026 0.60 98.10 ? 265 PHE a CA 1 +ATOM 27203 C C A PHE S 1 265 ? 21.760 7.149 25.645 0.40 98.67 ? 265 PHE a C 1 +ATOM 27204 C C B PHE S 1 265 ? 21.760 7.200 25.699 0.60 98.78 ? 265 PHE a C 1 +ATOM 27205 O O A PHE S 1 265 ? 22.474 6.393 24.981 0.40 100.80 ? 265 PHE a O 1 +ATOM 27206 O O B PHE S 1 265 ? 22.570 6.502 25.084 0.60 101.60 ? 265 PHE a O 1 +ATOM 27207 C CB A PHE S 1 265 ? 19.867 7.840 24.218 0.40 90.32 ? 265 PHE a CB 1 +ATOM 27208 C CB B PHE S 1 265 ? 19.868 7.850 24.234 0.60 90.39 ? 265 PHE a CB 1 +ATOM 27209 C CG A PHE S 1 265 ? 18.984 8.917 23.647 0.40 87.43 ? 265 PHE a CG 1 +ATOM 27210 C CG B PHE S 1 265 ? 18.979 8.918 23.651 0.60 87.50 ? 265 PHE a CG 1 +ATOM 27211 C CD1 A PHE S 1 265 ? 17.868 9.360 24.346 0.40 85.30 ? 265 PHE a CD1 1 +ATOM 27212 C CD1 B PHE S 1 265 ? 17.889 9.397 24.362 0.60 85.43 ? 265 PHE a CD1 1 +ATOM 27213 C CD2 A PHE S 1 265 ? 19.237 9.447 22.391 0.40 84.54 ? 265 PHE a CD2 1 +ATOM 27214 C CD2 B PHE S 1 265 ? 19.204 9.407 22.374 0.60 84.49 ? 265 PHE a CD2 1 +ATOM 27215 C CE1 A PHE S 1 265 ? 17.039 10.334 23.809 0.40 81.75 ? 265 PHE a CE1 1 +ATOM 27216 C CE1 B PHE S 1 265 ? 17.056 10.360 23.820 0.60 81.83 ? 265 PHE a CE1 1 +ATOM 27217 C CE2 A PHE S 1 265 ? 18.413 10.410 21.852 0.40 81.93 ? 265 PHE a CE2 1 +ATOM 27218 C CE2 B PHE S 1 265 ? 18.373 10.365 21.826 0.60 81.88 ? 265 PHE a CE2 1 +ATOM 27219 C CZ A PHE S 1 265 ? 17.312 10.852 22.562 0.40 78.02 ? 265 PHE a CZ 1 +ATOM 27220 C CZ B PHE S 1 265 ? 17.298 10.842 22.551 0.60 78.00 ? 265 PHE a CZ 1 +ATOM 27221 N N A ASN S 1 266 ? 21.508 6.941 26.936 0.40 83.96 ? 266 ASN a N 1 +ATOM 27222 N N B ASN S 1 266 ? 21.424 6.959 26.964 0.60 83.71 ? 266 ASN a N 1 +ATOM 27223 C CA A ASN S 1 266 ? 21.742 5.624 27.506 0.40 92.46 ? 266 ASN a CA 1 +ATOM 27224 C CA B ASN S 1 266 ? 21.711 5.663 27.559 0.60 92.55 ? 266 ASN a CA 1 +ATOM 27225 C C A ASN S 1 266 ? 20.490 4.991 28.095 0.40 83.34 ? 266 ASN a C 1 +ATOM 27226 C C B ASN S 1 266 ? 20.490 5.030 28.211 0.60 83.38 ? 266 ASN a C 1 +ATOM 27227 O O A ASN S 1 266 ? 20.549 3.827 28.506 0.40 86.87 ? 266 ASN a O 1 +ATOM 27228 O O B ASN S 1 266 ? 20.597 3.910 28.722 0.60 87.02 ? 266 ASN a O 1 +ATOM 27229 C CB A ASN S 1 266 ? 22.853 5.666 28.564 0.40 96.91 ? 266 ASN a CB 1 +ATOM 27230 C CB B ASN S 1 266 ? 22.857 5.766 28.576 0.60 97.01 ? 266 ASN a CB 1 +ATOM 27231 C CG A ASN S 1 266 ? 22.442 6.397 29.801 0.40 94.10 ? 266 ASN a CG 1 +ATOM 27232 C CG B ASN S 1 266 ? 22.467 6.518 29.812 0.60 94.10 ? 266 ASN a CG 1 +ATOM 27233 O OD1 A ASN S 1 266 ? 21.487 7.182 29.788 0.40 100.63 ? 266 ASN a OD1 1 +ATOM 27234 O OD1 B ASN S 1 266 ? 21.623 7.418 29.769 0.60 102.26 ? 266 ASN a OD1 1 +ATOM 27235 N ND2 A ASN S 1 266 ? 23.159 6.152 30.891 0.40 106.69 ? 266 ASN a ND2 1 +ATOM 27236 N ND2 B ASN S 1 266 ? 23.077 6.155 30.935 0.60 106.95 ? 266 ASN a ND2 1 +ATOM 27237 N N A ASN S 1 267 ? 19.365 5.709 28.136 0.40 66.83 ? 267 ASN a N 1 +ATOM 27238 N N B ASN S 1 267 ? 19.340 5.709 28.203 0.60 66.55 ? 267 ASN a N 1 +ATOM 27239 C CA A ASN S 1 267 ? 18.075 5.124 28.494 0.40 66.66 ? 267 ASN a CA 1 +ATOM 27240 C CA B ASN S 1 267 ? 18.063 5.099 28.558 0.60 66.68 ? 267 ASN a CA 1 +ATOM 27241 C C A ASN S 1 267 ? 17.422 4.602 27.217 0.40 65.44 ? 267 ASN a C 1 +ATOM 27242 C C B ASN S 1 267 ? 17.418 4.583 27.275 0.60 65.51 ? 267 ASN a C 1 +ATOM 27243 O O A ASN S 1 267 ? 17.021 5.385 26.347 0.40 62.67 ? 267 ASN a O 1 +ATOM 27244 O O B ASN S 1 267 ? 17.024 5.369 26.409 0.60 62.64 ? 267 ASN a O 1 +ATOM 27245 C CB A ASN S 1 267 ? 17.185 6.146 29.201 0.40 60.40 ? 267 ASN a CB 1 +ATOM 27246 C CB B ASN S 1 267 ? 17.155 6.096 29.276 0.60 60.25 ? 267 ASN a CB 1 +ATOM 27247 C CG A ASN S 1 267 ? 15.853 5.553 29.664 0.40 65.48 ? 267 ASN a CG 1 +ATOM 27248 C CG B ASN S 1 267 ? 15.823 5.479 29.716 0.60 65.57 ? 267 ASN a CG 1 +ATOM 27249 O OD1 A ASN S 1 267 ? 15.290 4.660 29.021 0.40 61.07 ? 267 ASN a OD1 1 +ATOM 27250 O OD1 B ASN S 1 267 ? 15.270 4.600 29.051 0.60 61.09 ? 267 ASN a OD1 1 +ATOM 27251 N ND2 A ASN S 1 267 ? 15.350 6.043 30.798 0.40 62.37 ? 267 ASN a ND2 1 +ATOM 27252 N ND2 B ASN S 1 267 ? 15.307 5.944 30.847 0.60 62.06 ? 267 ASN a ND2 1 +ATOM 27253 N N A SER S 1 268 ? 17.296 3.279 27.115 0.40 64.50 ? 268 SER a N 1 +ATOM 27254 N N B SER S 1 268 ? 17.289 3.259 27.169 0.60 64.56 ? 268 SER a N 1 +ATOM 27255 C CA A SER S 1 268 ? 16.775 2.678 25.893 0.40 64.56 ? 268 SER a CA 1 +ATOM 27256 C CA B SER S 1 268 ? 16.782 2.659 25.941 0.60 64.58 ? 268 SER a CA 1 +ATOM 27257 C C A SER S 1 268 ? 15.325 3.074 25.648 0.40 62.23 ? 268 SER a C 1 +ATOM 27258 C C B SER S 1 268 ? 15.334 3.051 25.677 0.60 62.32 ? 268 SER a C 1 +ATOM 27259 O O A SER S 1 268 ? 14.886 3.141 24.494 0.40 57.96 ? 268 SER a O 1 +ATOM 27260 O O B SER S 1 268 ? 14.912 3.116 24.518 0.60 58.00 ? 268 SER a O 1 +ATOM 27261 C CB A SER S 1 268 ? 16.913 1.158 25.965 0.40 62.88 ? 268 SER a CB 1 +ATOM 27262 C CB B SER S 1 268 ? 16.927 1.139 26.015 0.60 62.80 ? 268 SER a CB 1 +ATOM 27263 O OG A SER S 1 268 ? 16.410 0.543 24.791 0.40 71.29 ? 268 SER a OG 1 +ATOM 27264 O OG B SER S 1 268 ? 16.561 0.530 24.792 0.60 71.52 ? 268 SER a OG 1 +ATOM 27265 N N A ARG S 1 269 ? 14.571 3.348 26.713 0.40 61.20 ? 269 ARG a N 1 +ATOM 27266 N N B ARG S 1 269 ? 14.563 3.326 26.728 0.60 61.27 ? 269 ARG a N 1 +ATOM 27267 C CA A ARG S 1 269 ? 13.179 3.730 26.539 0.40 57.07 ? 269 ARG a CA 1 +ATOM 27268 C CA B ARG S 1 269 ? 13.174 3.720 26.529 0.60 56.96 ? 269 ARG a CA 1 +ATOM 27269 C C A ARG S 1 269 ? 13.070 5.132 25.967 0.40 66.03 ? 269 ARG a C 1 +ATOM 27270 C C B ARG S 1 269 ? 13.074 5.140 25.984 0.60 66.29 ? 269 ARG a C 1 +ATOM 27271 O O A ARG S 1 269 ? 12.237 5.383 25.086 0.40 63.11 ? 269 ARG a O 1 +ATOM 27272 O O B ARG S 1 269 ? 12.185 5.434 25.176 0.60 63.44 ? 269 ARG a O 1 +ATOM 27273 C CB A ARG S 1 269 ? 12.431 3.618 27.866 0.40 57.77 ? 269 ARG a CB 1 +ATOM 27274 C CB B ARG S 1 269 ? 12.398 3.575 27.836 0.60 57.72 ? 269 ARG a CB 1 +ATOM 27275 C CG A ARG S 1 269 ? 12.525 2.237 28.444 0.40 57.38 ? 269 ARG a CG 1 +ATOM 27276 C CG B ARG S 1 269 ? 12.438 2.158 28.360 0.60 57.08 ? 269 ARG a CG 1 +ATOM 27277 C CD A ARG S 1 269 ? 11.569 2.025 29.588 0.40 60.72 ? 269 ARG a CD 1 +ATOM 27278 C CD B ARG S 1 269 ? 11.513 1.960 29.530 0.60 60.74 ? 269 ARG a CD 1 +ATOM 27279 N NE A ARG S 1 269 ? 11.366 0.599 29.797 0.40 58.80 ? 269 ARG a NE 1 +ATOM 27280 N NE B ARG S 1 269 ? 11.280 0.539 29.750 0.60 58.81 ? 269 ARG a NE 1 +ATOM 27281 C CZ A ARG S 1 269 ? 10.416 0.073 30.556 0.40 58.18 ? 269 ARG a CZ 1 +ATOM 27282 C CZ B ARG S 1 269 ? 10.326 0.045 30.525 0.60 58.17 ? 269 ARG a CZ 1 +ATOM 27283 N NH1 A ARG S 1 269 ? 9.616 0.832 31.288 0.40 59.55 ? 269 ARG a NH1 1 +ATOM 27284 N NH1 B ARG S 1 269 ? 9.542 0.834 31.243 0.60 59.56 ? 269 ARG a NH1 1 +ATOM 27285 N NH2 A ARG S 1 269 ? 10.251 -1.246 30.560 0.40 58.39 ? 269 ARG a NH2 1 +ATOM 27286 N NH2 B ARG S 1 269 ? 10.146 -1.271 30.570 0.60 58.36 ? 269 ARG a NH2 1 +ATOM 27287 N N A SER S 1 270 ? 13.897 6.060 26.462 0.40 52.90 ? 270 SER a N 1 +ATOM 27288 N N B SER S 1 270 ? 13.970 6.033 26.416 0.60 52.52 ? 270 SER a N 1 +ATOM 27289 C CA A SER S 1 270 ? 13.888 7.398 25.888 0.40 56.99 ? 270 SER a CA 1 +ATOM 27290 C CA B SER S 1 270 ? 14.020 7.372 25.842 0.60 57.01 ? 270 SER a CA 1 +ATOM 27291 C C A SER S 1 270 ? 14.354 7.362 24.438 0.40 58.17 ? 270 SER a C 1 +ATOM 27292 C C B SER S 1 270 ? 14.388 7.309 24.370 0.60 58.08 ? 270 SER a C 1 +ATOM 27293 O O A SER S 1 270 ? 13.791 8.051 23.581 0.40 52.07 ? 270 SER a O 1 +ATOM 27294 O O B SER S 1 270 ? 13.794 8.000 23.537 0.60 52.04 ? 270 SER a O 1 +ATOM 27295 C CB A SER S 1 270 ? 14.772 8.338 26.714 0.40 54.77 ? 270 SER a CB 1 +ATOM 27296 C CB B SER S 1 270 ? 15.042 8.234 26.580 0.60 52.56 ? 270 SER a CB 1 +ATOM 27297 O OG A SER S 1 270 ? 14.370 8.367 28.069 0.40 69.40 ? 270 SER a OG 1 +ATOM 27298 O OG B SER S 1 270 ? 14.600 8.522 27.877 0.60 69.15 ? 270 SER a OG 1 +ATOM 27299 N N A LEU S 1 271 ? 15.371 6.551 24.143 0.40 55.09 ? 271 LEU a N 1 +ATOM 27300 N N B LEU S 1 271 ? 15.408 6.511 24.058 0.60 54.79 ? 271 LEU a N 1 +ATOM 27301 C CA A LEU S 1 271 ? 15.885 6.432 22.786 0.40 62.51 ? 271 LEU a CA 1 +ATOM 27302 C CA B LEU S 1 271 ? 15.897 6.350 22.699 0.60 62.91 ? 271 LEU a CA 1 +ATOM 27303 C C A LEU S 1 271 ? 14.805 5.940 21.824 0.40 58.33 ? 271 LEU a C 1 +ATOM 27304 C C B LEU S 1 271 ? 14.781 5.911 21.759 0.60 58.30 ? 271 LEU a C 1 +ATOM 27305 O O A LEU S 1 271 ? 14.579 6.535 20.765 0.40 52.47 ? 271 LEU a O 1 +ATOM 27306 O O B LEU S 1 271 ? 14.504 6.562 20.744 0.60 52.35 ? 271 LEU a O 1 +ATOM 27307 C CB A LEU S 1 271 ? 17.080 5.475 22.777 0.40 61.79 ? 271 LEU a CB 1 +ATOM 27308 C CB B LEU S 1 271 ? 17.035 5.325 22.702 0.60 61.77 ? 271 LEU a CB 1 +ATOM 27309 C CG A LEU S 1 271 ? 17.531 5.063 21.373 0.40 64.71 ? 271 LEU a CG 1 +ATOM 27310 C CG B LEU S 1 271 ? 17.556 4.921 21.328 0.60 64.25 ? 271 LEU a CG 1 +ATOM 27311 C CD1 A LEU S 1 271 ? 18.051 6.284 20.632 0.40 68.44 ? 271 LEU a CD1 1 +ATOM 27312 C CD1 B LEU S 1 271 ? 18.097 6.146 20.612 0.60 68.38 ? 271 LEU a CD1 1 +ATOM 27313 C CD2 A LEU S 1 271 ? 18.585 3.990 21.455 0.40 64.72 ? 271 LEU a CD2 1 +ATOM 27314 C CD2 B LEU S 1 271 ? 18.626 3.878 21.488 0.60 64.75 ? 271 LEU a CD2 1 +ATOM 27315 N N A HIS S 1 272 ? 14.130 4.847 22.178 0.40 53.32 ? 272 HIS a N 1 +ATOM 27316 N N B HIS S 1 272 ? 14.123 4.806 22.093 0.60 53.20 ? 272 HIS a N 1 +ATOM 27317 C CA A HIS S 1 272 ? 13.135 4.291 21.277 0.40 53.02 ? 272 HIS a CA 1 +ATOM 27318 C CA B HIS S 1 272 ? 13.114 4.262 21.200 0.60 52.98 ? 272 HIS a CA 1 +ATOM 27319 C C A HIS S 1 272 ? 11.898 5.179 21.185 0.40 59.03 ? 272 HIS a C 1 +ATOM 27320 C C B HIS S 1 272 ? 11.891 5.169 21.114 0.60 59.23 ? 272 HIS a C 1 +ATOM 27321 O O A HIS S 1 272 ? 11.232 5.197 20.145 0.40 51.58 ? 272 HIS a O 1 +ATOM 27322 O O B HIS S 1 272 ? 11.246 5.229 20.061 0.60 51.53 ? 272 HIS a O 1 +ATOM 27323 C CB A HIS S 1 272 ? 12.786 2.860 21.701 0.40 44.15 ? 272 HIS a CB 1 +ATOM 27324 C CB B HIS S 1 272 ? 12.753 2.843 21.641 0.60 43.87 ? 272 HIS a CB 1 +ATOM 27325 C CG A HIS S 1 272 ? 13.871 1.872 21.397 0.40 53.60 ? 272 HIS a CG 1 +ATOM 27326 C CG B HIS S 1 272 ? 13.839 1.845 21.370 0.60 53.66 ? 272 HIS a CG 1 +ATOM 27327 N ND1 A HIS S 1 272 ? 14.883 1.574 22.286 0.40 58.11 ? 272 HIS a ND1 1 +ATOM 27328 N ND1 B HIS S 1 272 ? 14.823 1.538 22.288 0.60 58.24 ? 272 HIS a ND1 1 +ATOM 27329 C CD2 A HIS S 1 272 ? 14.128 1.147 20.282 0.40 52.79 ? 272 HIS a CD2 1 +ATOM 27330 C CD2 B HIS S 1 272 ? 14.116 1.108 20.266 0.60 52.82 ? 272 HIS a CD2 1 +ATOM 27331 C CE1 A HIS S 1 272 ? 15.701 0.692 21.743 0.40 49.94 ? 272 HIS a CE1 1 +ATOM 27332 C CE1 B HIS S 1 272 ? 15.649 0.648 21.767 0.60 49.79 ? 272 HIS a CE1 1 +ATOM 27333 N NE2 A HIS S 1 272 ? 15.267 0.420 20.526 0.40 54.38 ? 272 HIS a NE2 1 +ATOM 27334 N NE2 B HIS S 1 272 ? 15.241 0.369 20.542 0.60 54.50 ? 272 HIS a NE2 1 +ATOM 27335 N N A PHE S 1 273 ? 11.586 5.943 22.233 0.40 54.50 ? 273 PHE a N 1 +ATOM 27336 N N B PHE S 1 273 ? 11.570 5.904 22.187 0.60 54.50 ? 273 PHE a N 1 +ATOM 27337 C CA A PHE S 1 273 ? 10.529 6.943 22.098 0.40 56.67 ? 273 PHE a CA 1 +ATOM 27338 C CA B PHE S 1 273 ? 10.528 6.921 22.069 0.60 56.69 ? 273 PHE a CA 1 +ATOM 27339 C C A PHE S 1 273 ? 10.918 8.026 21.100 0.40 58.50 ? 273 PHE a C 1 +ATOM 27340 C C B PHE S 1 273 ? 10.926 7.996 21.067 0.60 58.62 ? 273 PHE a C 1 +ATOM 27341 O O A PHE S 1 273 ? 10.078 8.498 20.324 0.40 53.20 ? 273 PHE a O 1 +ATOM 27342 O O B PHE S 1 273 ? 10.088 8.489 20.301 0.60 53.26 ? 273 PHE a O 1 +ATOM 27343 C CB A PHE S 1 273 ? 10.195 7.591 23.442 0.40 53.95 ? 273 PHE a CB 1 +ATOM 27344 C CB B PHE S 1 273 ? 10.228 7.582 23.414 0.60 53.86 ? 273 PHE a CB 1 +ATOM 27345 C CG A PHE S 1 273 ? 9.285 8.779 23.306 0.40 54.87 ? 273 PHE a CG 1 +ATOM 27346 C CG B PHE S 1 273 ? 9.301 8.754 23.290 0.60 54.83 ? 273 PHE a CG 1 +ATOM 27347 C CD1 A PHE S 1 273 ? 7.963 8.614 22.911 0.40 53.14 ? 273 PHE a CD1 1 +ATOM 27348 C CD1 B PHE S 1 273 ? 7.970 8.563 22.948 0.60 53.10 ? 273 PHE a CD1 1 +ATOM 27349 C CD2 A PHE S 1 273 ? 9.754 10.062 23.538 0.40 56.17 ? 273 PHE a CD2 1 +ATOM 27350 C CD2 B PHE S 1 273 ? 9.764 10.049 23.461 0.60 56.05 ? 273 PHE a CD2 1 +ATOM 27351 C CE1 A PHE S 1 273 ? 7.116 9.719 22.764 0.40 55.19 ? 273 PHE a CE1 1 +ATOM 27352 C CE1 B PHE S 1 273 ? 7.107 9.643 22.807 0.60 55.27 ? 273 PHE a CE1 1 +ATOM 27353 C CE2 A PHE S 1 273 ? 8.915 11.160 23.393 0.40 60.92 ? 273 PHE a CE2 1 +ATOM 27354 C CE2 B PHE S 1 273 ? 8.908 11.128 23.324 0.60 60.86 ? 273 PHE a CE2 1 +ATOM 27355 C CZ A PHE S 1 273 ? 7.594 10.986 23.009 0.40 53.26 ? 273 PHE a CZ 1 +ATOM 27356 C CZ B PHE S 1 273 ? 7.575 10.924 22.995 0.60 53.06 ? 273 PHE a CZ 1 +ATOM 27357 N N A PHE S 1 274 ? 12.176 8.466 21.142 0.40 54.22 ? 274 PHE a N 1 +ATOM 27358 N N B PHE S 1 274 ? 12.194 8.409 21.100 0.60 54.11 ? 274 PHE a N 1 +ATOM 27359 C CA A PHE S 1 274 ? 12.642 9.471 20.197 0.40 56.09 ? 274 PHE a CA 1 +ATOM 27360 C CA B PHE S 1 274 ? 12.680 9.403 20.157 0.60 56.22 ? 274 PHE a CA 1 +ATOM 27361 C C A PHE S 1 274 ? 12.530 8.950 18.762 0.40 57.88 ? 274 PHE a C 1 +ATOM 27362 C C B PHE S 1 274 ? 12.595 8.878 18.726 0.60 57.93 ? 274 PHE a C 1 +ATOM 27363 O O A PHE S 1 274 ? 12.085 9.675 17.861 0.40 54.42 ? 274 PHE a O 1 +ATOM 27364 O O B PHE S 1 274 ? 12.208 9.612 17.811 0.60 54.49 ? 274 PHE a O 1 +ATOM 27365 C CB A PHE S 1 274 ? 14.082 9.865 20.546 0.40 59.30 ? 274 PHE a CB 1 +ATOM 27366 C CB B PHE S 1 274 ? 14.113 9.793 20.523 0.60 59.30 ? 274 PHE a CB 1 +ATOM 27367 C CG A PHE S 1 274 ? 14.707 10.854 19.584 0.40 59.84 ? 274 PHE a CG 1 +ATOM 27368 C CG B PHE S 1 274 ? 14.734 10.800 19.590 0.60 59.94 ? 274 PHE a CG 1 +ATOM 27369 C CD1 A PHE S 1 274 ? 14.379 12.199 19.640 0.40 59.01 ? 274 PHE a CD1 1 +ATOM 27370 C CD1 B PHE S 1 274 ? 14.423 12.142 19.696 0.60 58.78 ? 274 PHE a CD1 1 +ATOM 27371 C CD2 A PHE S 1 274 ? 15.645 10.431 18.644 0.40 60.86 ? 274 PHE a CD2 1 +ATOM 27372 C CD2 B PHE S 1 274 ? 15.643 10.398 18.617 0.60 60.86 ? 274 PHE a CD2 1 +ATOM 27373 C CE1 A PHE S 1 274 ? 14.960 13.107 18.764 0.40 63.74 ? 274 PHE a CE1 1 +ATOM 27374 C CE1 B PHE S 1 274 ? 14.997 13.068 18.845 0.60 63.85 ? 274 PHE a CE1 1 +ATOM 27375 C CE2 A PHE S 1 274 ? 16.237 11.323 17.769 0.40 61.81 ? 274 PHE a CE2 1 +ATOM 27376 C CE2 B PHE S 1 274 ? 16.224 11.315 17.765 0.60 61.76 ? 274 PHE a CE2 1 +ATOM 27377 C CZ A PHE S 1 274 ? 15.891 12.665 17.820 0.40 59.74 ? 274 PHE a CZ 1 +ATOM 27378 C CZ B PHE S 1 274 ? 15.901 12.652 17.876 0.60 59.79 ? 274 PHE a CZ 1 +ATOM 27379 N N A LEU S 1 275 ? 12.907 7.684 18.550 0.40 53.24 ? 275 LEU a N 1 +ATOM 27380 N N B LEU S 1 275 ? 12.945 7.602 18.523 0.60 53.13 ? 275 LEU a N 1 +ATOM 27381 C CA A LEU S 1 275 ? 12.803 7.062 17.234 0.40 52.02 ? 275 LEU a CA 1 +ATOM 27382 C CA B LEU S 1 275 ? 12.828 6.990 17.208 0.60 51.99 ? 275 LEU a CA 1 +ATOM 27383 C C A LEU S 1 275 ? 11.364 7.024 16.736 0.40 52.95 ? 275 LEU a C 1 +ATOM 27384 C C B LEU S 1 275 ? 11.387 6.996 16.721 0.60 52.99 ? 275 LEU a C 1 +ATOM 27385 O O A LEU S 1 275 ? 11.116 7.232 15.548 0.40 51.85 ? 275 LEU a O 1 +ATOM 27386 O O B LEU S 1 275 ? 11.132 7.231 15.538 0.60 51.86 ? 275 LEU a O 1 +ATOM 27387 C CB A LEU S 1 275 ? 13.377 5.648 17.267 0.40 53.13 ? 275 LEU a CB 1 +ATOM 27388 C CB B LEU S 1 275 ? 13.370 5.562 17.239 0.60 53.07 ? 275 LEU a CB 1 +ATOM 27389 C CG A LEU S 1 275 ? 14.873 5.486 17.550 0.40 58.04 ? 275 LEU a CG 1 +ATOM 27390 C CG B LEU S 1 275 ? 14.855 5.403 17.572 0.60 58.18 ? 275 LEU a CG 1 +ATOM 27391 C CD1 A LEU S 1 275 ? 15.271 4.008 17.398 0.40 58.21 ? 275 LEU a CD1 1 +ATOM 27392 C CD1 B LEU S 1 275 ? 15.251 3.934 17.448 0.60 58.24 ? 275 LEU a CD1 1 +ATOM 27393 C CD2 A LEU S 1 275 ? 15.702 6.358 16.644 0.40 51.56 ? 275 LEU a CD2 1 +ATOM 27394 C CD2 B LEU S 1 275 ? 15.732 6.284 16.683 0.60 51.45 ? 275 LEU a CD2 1 +ATOM 27395 N N A ALA S 1 276 ? 10.404 6.716 17.611 0.40 53.66 ? 276 ALA a N 1 +ATOM 27396 N N B ALA S 1 276 ? 10.430 6.733 17.612 0.60 53.68 ? 276 ALA a N 1 +ATOM 27397 C CA A ALA S 1 276 ? 9.006 6.801 17.191 0.40 56.83 ? 276 ALA a CA 1 +ATOM 27398 C CA B ALA S 1 276 ? 9.029 6.808 17.207 0.60 56.93 ? 276 ALA a CA 1 +ATOM 27399 C C A ALA S 1 276 ? 8.581 8.247 16.943 0.40 58.01 ? 276 ALA a C 1 +ATOM 27400 C C B ALA S 1 276 ? 8.600 8.247 16.940 0.60 58.14 ? 276 ALA a C 1 +ATOM 27401 O O A ALA S 1 276 ? 7.901 8.536 15.953 0.40 59.20 ? 276 ALA a O 1 +ATOM 27402 O O B ALA S 1 276 ? 7.932 8.527 15.935 0.60 59.41 ? 276 ALA a O 1 +ATOM 27403 C CB A ALA S 1 276 ? 8.087 6.169 18.229 0.40 53.29 ? 276 ALA a CB 1 +ATOM 27404 C CB B ALA S 1 276 ? 8.131 6.183 18.270 0.60 53.33 ? 276 ALA a CB 1 +ATOM 27405 N N A ALA S 1 277 ? 8.983 9.173 17.815 0.40 52.09 ? 277 ALA a N 1 +ATOM 27406 N N B ALA S 1 277 ? 8.994 9.179 17.810 0.60 52.10 ? 277 ALA a N 1 +ATOM 27407 C CA A ALA S 1 277 ? 8.377 10.503 17.785 0.40 47.36 ? 277 ALA a CA 1 +ATOM 27408 C CA B ALA S 1 277 ? 8.382 10.502 17.793 0.60 47.18 ? 277 ALA a CA 1 +ATOM 27409 C C A ALA S 1 277 ? 8.838 11.328 16.585 0.40 52.38 ? 277 ALA a C 1 +ATOM 27410 C C B ALA S 1 277 ? 8.830 11.325 16.588 0.60 52.43 ? 277 ALA a C 1 +ATOM 27411 O O A ALA S 1 277 ? 8.033 12.049 15.981 0.40 50.13 ? 277 ALA a O 1 +ATOM 27412 O O B ALA S 1 277 ? 8.011 12.007 15.963 0.60 50.12 ? 277 ALA a O 1 +ATOM 27413 C CB A ALA S 1 277 ? 8.670 11.250 19.086 0.40 53.23 ? 277 ALA a CB 1 +ATOM 27414 C CB B ALA S 1 277 ? 8.695 11.241 19.094 0.60 53.18 ? 277 ALA a CB 1 +ATOM 27415 N N A TRP S 1 278 ? 10.124 11.277 16.241 0.40 48.52 ? 278 TRP a N 1 +ATOM 27416 N N B TRP S 1 278 ? 10.121 11.295 16.257 0.60 48.41 ? 278 TRP a N 1 +ATOM 27417 C CA A TRP S 1 278 ? 10.626 12.208 15.227 0.40 51.93 ? 278 TRP a CA 1 +ATOM 27418 C CA B TRP S 1 278 ? 10.626 12.194 15.217 0.60 51.91 ? 278 TRP a CA 1 +ATOM 27419 C C A TRP S 1 278 ? 9.952 12.026 13.865 0.40 51.24 ? 278 TRP a C 1 +ATOM 27420 C C B TRP S 1 278 ? 9.942 12.001 13.864 0.60 51.23 ? 278 TRP a C 1 +ATOM 27421 O O A TRP S 1 278 ? 9.418 13.015 13.329 0.40 51.32 ? 278 TRP a O 1 +ATOM 27422 O O B TRP S 1 278 ? 9.428 12.992 13.313 0.60 51.32 ? 278 TRP a O 1 +ATOM 27423 C CB A TRP S 1 278 ? 12.155 12.094 15.124 0.40 53.07 ? 278 TRP a CB 1 +ATOM 27424 C CB B TRP S 1 278 ? 12.149 12.050 15.098 0.60 53.03 ? 278 TRP a CB 1 +ATOM 27425 C CG A TRP S 1 278 ? 12.744 13.038 14.108 0.40 60.03 ? 278 TRP a CG 1 +ATOM 27426 C CG B TRP S 1 278 ? 12.752 13.010 14.120 0.60 60.14 ? 278 TRP a CG 1 +ATOM 27427 C CD1 A TRP S 1 278 ? 12.756 12.885 12.749 0.40 49.89 ? 278 TRP a CD1 1 +ATOM 27428 C CD1 B TRP S 1 278 ? 12.791 12.885 12.760 0.60 49.74 ? 278 TRP a CD1 1 +ATOM 27429 C CD2 A TRP S 1 278 ? 13.404 14.283 14.377 0.40 63.98 ? 278 TRP a CD2 1 +ATOM 27430 C CD2 B TRP S 1 278 ? 13.401 14.253 14.427 0.60 64.10 ? 278 TRP a CD2 1 +ATOM 27431 N NE1 A TRP S 1 278 ? 13.382 13.961 12.158 0.40 57.16 ? 278 TRP a NE1 1 +ATOM 27432 N NE1 B TRP S 1 278 ? 13.426 13.973 12.204 0.60 57.28 ? 278 TRP a NE1 1 +ATOM 27433 C CE2 A TRP S 1 278 ? 13.783 14.835 13.134 0.40 60.88 ? 278 TRP a CE2 1 +ATOM 27434 C CE2 B TRP S 1 278 ? 13.807 14.826 13.206 0.60 60.96 ? 278 TRP a CE2 1 +ATOM 27435 C CE3 A TRP S 1 278 ? 13.706 14.989 15.548 0.40 61.16 ? 278 TRP a CE3 1 +ATOM 27436 C CE3 B TRP S 1 278 ? 13.682 14.932 15.618 0.60 61.08 ? 278 TRP a CE3 1 +ATOM 27437 C CZ2 A TRP S 1 278 ? 14.450 16.056 13.033 0.40 63.77 ? 278 TRP a CZ2 1 +ATOM 27438 C CZ2 B TRP S 1 278 ? 14.475 16.049 13.143 0.60 63.83 ? 278 TRP a CZ2 1 +ATOM 27439 C CZ3 A TRP S 1 278 ? 14.371 16.203 15.444 0.40 62.36 ? 278 TRP a CZ3 1 +ATOM 27440 C CZ3 B TRP S 1 278 ? 14.344 16.149 15.550 0.60 62.23 ? 278 TRP a CZ3 1 +ATOM 27441 C CH2 A TRP S 1 278 ? 14.734 16.724 14.197 0.40 60.26 ? 278 TRP a CH2 1 +ATOM 27442 C CH2 B TRP S 1 278 ? 14.732 16.692 14.322 0.60 60.20 ? 278 TRP a CH2 1 +ATOM 27443 N N A PRO S 1 279 ? 9.937 10.832 13.252 0.40 54.24 ? 279 PRO a N 1 +ATOM 27444 N N B PRO S 1 279 ? 9.895 10.797 13.272 0.60 54.33 ? 279 PRO a N 1 +ATOM 27445 C CA A PRO S 1 279 ? 9.268 10.708 11.941 0.40 51.43 ? 279 PRO a CA 1 +ATOM 27446 C CA B PRO S 1 279 ? 9.232 10.674 11.959 0.60 51.48 ? 279 PRO a CA 1 +ATOM 27447 C C A PRO S 1 279 ? 7.766 10.880 12.027 0.40 53.46 ? 279 PRO a C 1 +ATOM 27448 C C B PRO S 1 279 ? 7.730 10.859 12.031 0.60 53.57 ? 279 PRO a C 1 +ATOM 27449 O O A PRO S 1 279 ? 7.164 11.458 11.114 0.40 51.89 ? 279 PRO a O 1 +ATOM 27450 O O B PRO S 1 279 ? 7.140 11.429 11.104 0.60 52.05 ? 279 PRO a O 1 +ATOM 27451 C CB A PRO S 1 279 ? 9.641 9.287 11.488 0.40 48.94 ? 279 PRO a CB 1 +ATOM 27452 C CB B PRO S 1 279 ? 9.607 9.256 11.504 0.60 48.83 ? 279 PRO a CB 1 +ATOM 27453 C CG A PRO S 1 279 ? 9.860 8.537 12.765 0.40 49.81 ? 279 PRO a CG 1 +ATOM 27454 C CG B PRO S 1 279 ? 9.829 8.507 12.752 0.60 49.72 ? 279 PRO a CG 1 +ATOM 27455 C CD A PRO S 1 279 ? 10.499 9.541 13.697 0.40 54.02 ? 279 PRO a CD 1 +ATOM 27456 C CD B PRO S 1 279 ? 10.449 9.504 13.715 0.60 54.12 ? 279 PRO a CD 1 +ATOM 27457 N N A VAL S 1 280 ? 7.141 10.395 13.103 0.40 47.34 ? 280 VAL a N 1 +ATOM 27458 N N B VAL S 1 280 ? 7.094 10.396 13.111 0.60 47.23 ? 280 VAL a N 1 +ATOM 27459 C CA A VAL S 1 280 ? 5.691 10.508 13.224 0.40 49.13 ? 280 VAL a CA 1 +ATOM 27460 C CA B VAL S 1 280 ? 5.645 10.528 13.228 0.60 49.08 ? 280 VAL a CA 1 +ATOM 27461 C C A VAL S 1 280 ? 5.275 11.976 13.247 0.40 55.56 ? 280 VAL a C 1 +ATOM 27462 C C B VAL S 1 280 ? 5.252 12.000 13.247 0.60 55.78 ? 280 VAL a C 1 +ATOM 27463 O O A VAL S 1 280 ? 4.371 12.390 12.512 0.40 50.54 ? 280 VAL a O 1 +ATOM 27464 O O B VAL S 1 280 ? 4.368 12.434 12.497 0.60 50.54 ? 280 VAL a O 1 +ATOM 27465 C CB A VAL S 1 280 ? 5.196 9.752 14.472 0.40 52.95 ? 280 VAL a CB 1 +ATOM 27466 C CB B VAL S 1 280 ? 5.137 9.779 14.475 0.60 53.01 ? 280 VAL a CB 1 +ATOM 27467 C CG1 A VAL S 1 280 ? 3.750 10.129 14.799 0.40 45.56 ? 280 VAL a CG1 1 +ATOM 27468 C CG1 B VAL S 1 280 ? 3.676 10.122 14.770 0.60 45.42 ? 280 VAL a CG1 1 +ATOM 27469 C CG2 A VAL S 1 280 ? 5.334 8.224 14.270 0.40 53.71 ? 280 VAL a CG2 1 +ATOM 27470 C CG2 B VAL S 1 280 ? 5.308 8.261 14.286 0.60 53.85 ? 280 VAL a CG2 1 +ATOM 27471 N N A VAL S 1 281 ? 5.916 12.784 14.101 0.40 50.57 ? 281 VAL a N 1 +ATOM 27472 N N B VAL S 1 281 ? 5.905 12.793 14.102 0.60 50.56 ? 281 VAL a N 1 +ATOM 27473 C CA A VAL S 1 281 ? 5.555 14.201 14.170 0.40 57.54 ? 281 VAL a CA 1 +ATOM 27474 C CA B VAL S 1 281 ? 5.595 14.219 14.151 0.60 57.74 ? 281 VAL a CA 1 +ATOM 27475 C C A VAL S 1 281 ? 5.855 14.892 12.839 0.40 51.85 ? 281 VAL a C 1 +ATOM 27476 C C B VAL S 1 281 ? 5.904 14.871 12.808 0.60 51.89 ? 281 VAL a C 1 +ATOM 27477 O O A VAL S 1 281 ? 5.051 15.689 12.340 0.40 48.74 ? 281 VAL a O 1 +ATOM 27478 O O B VAL S 1 281 ? 5.105 15.660 12.290 0.60 48.59 ? 281 VAL a O 1 +ATOM 27479 C CB A VAL S 1 281 ? 6.264 14.898 15.358 0.40 53.50 ? 281 VAL a CB 1 +ATOM 27480 C CB B VAL S 1 281 ? 6.345 14.904 15.316 0.60 53.45 ? 281 VAL a CB 1 +ATOM 27481 C CG1 A VAL S 1 281 ? 5.942 16.388 15.384 0.40 52.09 ? 281 VAL a CG1 1 +ATOM 27482 C CG1 B VAL S 1 281 ? 6.134 16.410 15.274 0.60 52.11 ? 281 VAL a CG1 1 +ATOM 27483 C CG2 A VAL S 1 281 ? 5.840 14.266 16.691 0.40 51.48 ? 281 VAL a CG2 1 +ATOM 27484 C CG2 B VAL S 1 281 ? 5.870 14.353 16.655 0.60 51.34 ? 281 VAL a CG2 1 +ATOM 27485 N N A GLY S 1 282 ? 7.013 14.599 12.242 0.40 51.51 ? 282 GLY a N 1 +ATOM 27486 N N B GLY S 1 282 ? 7.051 14.536 12.215 0.60 51.47 ? 282 GLY a N 1 +ATOM 27487 C CA A GLY S 1 282 ? 7.349 15.229 10.970 0.40 53.84 ? 282 GLY a CA 1 +ATOM 27488 C CA B GLY S 1 282 ? 7.402 15.111 10.924 0.60 53.81 ? 282 GLY a CA 1 +ATOM 27489 C C A GLY S 1 282 ? 6.330 14.941 9.878 0.40 59.78 ? 282 GLY a C 1 +ATOM 27490 C C B GLY S 1 282 ? 6.349 14.853 9.858 0.60 60.00 ? 282 GLY a C 1 +ATOM 27491 O O A GLY S 1 282 ? 5.937 15.845 9.128 0.40 56.10 ? 282 GLY a O 1 +ATOM 27492 O O B GLY S 1 282 ? 5.943 15.768 9.129 0.60 56.32 ? 282 GLY a O 1 +ATOM 27493 N N A VAL S 1 283 ? 5.877 13.683 9.787 0.40 49.24 ? 283 VAL a N 1 +ATOM 27494 N N B VAL S 1 283 ? 5.871 13.607 9.774 0.60 49.06 ? 283 VAL a N 1 +ATOM 27495 C CA A VAL S 1 283 ? 4.911 13.285 8.764 0.40 50.23 ? 283 VAL a CA 1 +ATOM 27496 C CA B VAL S 1 283 ? 4.896 13.242 8.754 0.60 50.25 ? 283 VAL a CA 1 +ATOM 27497 C C A VAL S 1 283 ? 3.510 13.813 9.090 0.40 50.32 ? 283 VAL a C 1 +ATOM 27498 C C B VAL S 1 283 ? 3.514 13.804 9.087 0.60 50.32 ? 283 VAL a C 1 +ATOM 27499 O O A VAL S 1 283 ? 2.728 14.109 8.175 0.40 51.92 ? 283 VAL a O 1 +ATOM 27500 O O B VAL S 1 283 ? 2.733 14.111 8.175 0.60 52.07 ? 283 VAL a O 1 +ATOM 27501 C CB A VAL S 1 283 ? 4.959 11.748 8.581 0.40 52.47 ? 283 VAL a CB 1 +ATOM 27502 C CB B VAL S 1 283 ? 4.902 11.708 8.566 0.60 52.67 ? 283 VAL a CB 1 +ATOM 27503 C CG1 A VAL S 1 283 ? 3.777 11.206 7.745 0.40 46.10 ? 283 VAL a CG1 1 +ATOM 27504 C CG1 B VAL S 1 283 ? 3.717 11.216 7.713 0.60 46.01 ? 283 VAL a CG1 1 +ATOM 27505 C CG2 A VAL S 1 283 ? 6.273 11.348 7.922 0.40 43.74 ? 283 VAL a CG2 1 +ATOM 27506 C CG2 B VAL S 1 283 ? 6.211 11.292 7.923 0.60 43.72 ? 283 VAL a CG2 1 +ATOM 27507 N N . TRP S 1 284 ? 3.193 13.969 10.379 1.00 49.45 ? 284 TRP a N 1 +ATOM 27508 C CA . TRP S 1 284 ? 1.993 14.716 10.765 1.00 56.16 ? 284 TRP a CA 1 +ATOM 27509 C C . TRP S 1 284 ? 1.997 16.106 10.137 1.00 48.99 ? 284 TRP a C 1 +ATOM 27510 O O . TRP S 1 284 ? 0.997 16.539 9.553 1.00 54.57 ? 284 TRP a O 1 +ATOM 27511 C CB . TRP S 1 284 ? 1.882 14.844 12.291 1.00 48.97 ? 284 TRP a CB 1 +ATOM 27512 C CG . TRP S 1 284 ? 1.263 13.642 12.969 1.00 60.38 ? 284 TRP a CG 1 +ATOM 27513 C CD1 . TRP S 1 284 ? 0.528 12.649 12.382 1.00 52.38 ? 284 TRP a CD1 1 +ATOM 27514 C CD2 . TRP S 1 284 ? 1.336 13.320 14.368 1.00 60.44 ? 284 TRP a CD2 1 +ATOM 27515 N NE1 . TRP S 1 284 ? 0.128 11.728 13.333 1.00 54.64 ? 284 TRP a NE1 1 +ATOM 27516 C CE2 . TRP S 1 284 ? 0.618 12.110 14.558 1.00 66.45 ? 284 TRP a CE2 1 +ATOM 27517 C CE3 . TRP S 1 284 ? 1.934 13.935 15.477 1.00 56.19 ? 284 TRP a CE3 1 +ATOM 27518 C CZ2 . TRP S 1 284 ? 0.488 11.501 15.818 1.00 57.37 ? 284 TRP a CZ2 1 +ATOM 27519 C CZ3 . TRP S 1 284 ? 1.804 13.332 16.728 1.00 57.01 ? 284 TRP a CZ3 1 +ATOM 27520 C CH2 . TRP S 1 284 ? 1.086 12.121 16.883 1.00 60.18 ? 284 TRP a CH2 1 +ATOM 27521 N N A PHE S 1 285 ? 3.129 16.816 10.225 0.40 49.62 ? 285 PHE a N 1 +ATOM 27522 N N B PHE S 1 285 ? 3.118 16.821 10.240 0.60 49.54 ? 285 PHE a N 1 +ATOM 27523 C CA A PHE S 1 285 ? 3.191 18.147 9.630 0.40 51.48 ? 285 PHE a CA 1 +ATOM 27524 C CA B PHE S 1 285 ? 3.161 18.160 9.660 0.60 51.43 ? 285 PHE a CA 1 +ATOM 27525 C C A PHE S 1 285 ? 3.116 18.085 8.111 0.40 56.90 ? 285 PHE a C 1 +ATOM 27526 C C B PHE S 1 285 ? 3.099 18.103 8.140 0.60 57.12 ? 285 PHE a C 1 +ATOM 27527 O O A PHE S 1 285 ? 2.503 18.962 7.486 0.40 51.36 ? 285 PHE a O 1 +ATOM 27528 O O B PHE S 1 285 ? 2.480 18.968 7.512 0.60 51.37 ? 285 PHE a O 1 +ATOM 27529 C CB A PHE S 1 285 ? 4.450 18.884 10.084 0.40 51.30 ? 285 PHE a CB 1 +ATOM 27530 C CB B PHE S 1 285 ? 4.408 18.907 10.125 0.60 51.31 ? 285 PHE a CB 1 +ATOM 27531 C CG A PHE S 1 285 ? 4.307 19.500 11.450 0.40 56.83 ? 285 PHE a CG 1 +ATOM 27532 C CG B PHE S 1 285 ? 4.274 19.488 11.502 0.60 56.80 ? 285 PHE a CG 1 +ATOM 27533 C CD1 A PHE S 1 285 ? 3.410 20.530 11.664 0.40 59.42 ? 285 PHE a CD1 1 +ATOM 27534 C CD1 B PHE S 1 285 ? 3.439 20.571 11.732 0.60 59.53 ? 285 PHE a CD1 1 +ATOM 27535 C CD2 A PHE S 1 285 ? 5.044 19.028 12.526 0.40 62.84 ? 285 PHE a CD2 1 +ATOM 27536 C CD2 B PHE S 1 285 ? 4.971 18.949 12.572 0.60 63.00 ? 285 PHE a CD2 1 +ATOM 27537 C CE1 A PHE S 1 285 ? 3.259 21.095 12.936 0.40 65.24 ? 285 PHE a CE1 1 +ATOM 27538 C CE1 B PHE S 1 285 ? 3.307 21.111 13.003 0.60 65.37 ? 285 PHE a CE1 1 +ATOM 27539 C CE2 A PHE S 1 285 ? 4.899 19.591 13.797 0.40 62.43 ? 285 PHE a CE2 1 +ATOM 27540 C CE2 B PHE S 1 285 ? 4.842 19.487 13.849 0.60 62.31 ? 285 PHE a CE2 1 +ATOM 27541 C CZ A PHE S 1 285 ? 4.007 20.620 13.996 0.40 62.98 ? 285 PHE a CZ 1 +ATOM 27542 C CZ B PHE S 1 285 ? 4.010 20.566 14.061 0.60 62.87 ? 285 PHE a CZ 1 +ATOM 27543 N N A ALA S 1 286 ? 3.726 17.062 7.495 0.40 49.95 ? 286 ALA a N 1 +ATOM 27544 N N B ALA S 1 286 ? 3.729 17.095 7.531 0.60 49.98 ? 286 ALA a N 1 +ATOM 27545 C CA A ALA S 1 286 ? 3.599 16.905 6.048 0.40 49.17 ? 286 ALA a CA 1 +ATOM 27546 C CA B ALA S 1 286 ? 3.613 16.931 6.087 0.60 49.15 ? 286 ALA a CA 1 +ATOM 27547 C C A ALA S 1 286 ? 2.139 16.749 5.655 0.40 51.57 ? 286 ALA a C 1 +ATOM 27548 C C B ALA S 1 286 ? 2.160 16.740 5.681 0.60 51.76 ? 286 ALA a C 1 +ATOM 27549 O O A ALA S 1 286 ? 1.652 17.424 4.740 0.40 51.25 ? 286 ALA a O 1 +ATOM 27550 O O B ALA S 1 286 ? 1.679 17.375 4.735 0.60 51.37 ? 286 ALA a O 1 +ATOM 27551 C CB A ALA S 1 286 ? 4.401 15.697 5.563 0.40 48.36 ? 286 ALA a CB 1 +ATOM 27552 C CB B ALA S 1 286 ? 4.458 15.749 5.615 0.60 48.45 ? 286 ALA a CB 1 +ATOM 27553 N N A ALA S 1 287 ? 1.420 15.863 6.348 0.40 49.30 ? 287 ALA a N 1 +ATOM 27554 N N B ALA S 1 287 ? 1.440 15.864 6.385 0.60 49.31 ? 287 ALA a N 1 +ATOM 27555 C CA A ALA S 1 287 ? 0.012 15.660 6.036 0.40 48.53 ? 287 ALA a CA 1 +ATOM 27556 C CA B ALA S 1 287 ? 0.032 15.665 6.063 0.60 48.55 ? 287 ALA a CA 1 +ATOM 27557 C C A ALA S 1 287 ? -0.780 16.939 6.246 0.40 51.14 ? 287 ALA a C 1 +ATOM 27558 C C B ALA S 1 287 ? -0.753 16.952 6.266 0.60 51.19 ? 287 ALA a C 1 +ATOM 27559 O O A ALA S 1 287 ? -1.718 17.226 5.488 0.40 47.84 ? 287 ALA a O 1 +ATOM 27560 O O B ALA S 1 287 ? -1.663 17.265 5.482 0.60 47.85 ? 287 ALA a O 1 +ATOM 27561 C CB A ALA S 1 287 ? -0.557 14.516 6.882 0.40 47.88 ? 287 ALA a CB 1 +ATOM 27562 C CB B ALA S 1 287 ? -0.554 14.530 6.901 0.60 47.87 ? 287 ALA a CB 1 +ATOM 27563 N N A LEU S 1 288 ? -0.407 17.724 7.267 0.40 48.94 ? 288 LEU a N 1 +ATOM 27564 N N B LEU S 1 288 ? -0.391 17.723 7.298 0.60 48.92 ? 288 LEU a N 1 +ATOM 27565 C CA A LEU S 1 288 ? -1.095 18.985 7.538 0.40 52.72 ? 288 LEU a CA 1 +ATOM 27566 C CA B LEU S 1 288 ? -1.047 19.006 7.552 0.60 52.79 ? 288 LEU a CA 1 +ATOM 27567 C C A LEU S 1 288 ? -0.725 20.054 6.519 0.40 52.16 ? 288 LEU a C 1 +ATOM 27568 C C B LEU S 1 288 ? -0.649 20.059 6.529 0.60 52.23 ? 288 LEU a C 1 +ATOM 27569 O O A LEU S 1 288 ? -1.541 20.940 6.225 0.40 51.96 ? 288 LEU a O 1 +ATOM 27570 O O B LEU S 1 288 ? -1.432 20.972 6.249 0.60 52.10 ? 288 LEU a O 1 +ATOM 27571 C CB A LEU S 1 288 ? -0.786 19.472 8.957 0.40 47.45 ? 288 LEU a CB 1 +ATOM 27572 C CB B LEU S 1 288 ? -0.731 19.493 8.964 0.60 47.31 ? 288 LEU a CB 1 +ATOM 27573 C CG A LEU S 1 288 ? -1.386 18.584 10.041 0.40 55.38 ? 288 LEU a CG 1 +ATOM 27574 C CG B LEU S 1 288 ? -1.377 18.636 10.051 0.60 55.64 ? 288 LEU a CG 1 +ATOM 27575 C CD1 A LEU S 1 288 ? -0.946 19.044 11.454 0.40 50.26 ? 288 LEU a CD1 1 +ATOM 27576 C CD1 B LEU S 1 288 ? -0.931 19.114 11.442 0.60 50.13 ? 288 LEU a CD1 1 +ATOM 27577 C CD2 A LEU S 1 288 ? -2.895 18.565 9.898 0.40 49.81 ? 288 LEU a CD2 1 +ATOM 27578 C CD2 B LEU S 1 288 ? -2.892 18.675 9.900 0.60 49.90 ? 288 LEU a CD2 1 +ATOM 27579 N N A GLY S 1 289 ? 0.493 19.989 5.980 0.40 49.20 ? 289 GLY a N 1 +ATOM 27580 N N B GLY S 1 289 ? 0.559 19.958 5.973 0.60 49.16 ? 289 GLY a N 1 +ATOM 27581 C CA A GLY S 1 289 ? 0.832 20.850 4.866 0.40 47.88 ? 289 GLY a CA 1 +ATOM 27582 C CA B GLY S 1 289 ? 0.906 20.799 4.843 0.60 47.83 ? 289 GLY a CA 1 +ATOM 27583 C C A GLY S 1 289 ? -0.112 20.655 3.693 0.40 52.26 ? 289 GLY a C 1 +ATOM 27584 C C B GLY S 1 289 ? -0.041 20.599 3.672 0.60 52.38 ? 289 GLY a C 1 +ATOM 27585 O O A GLY S 1 289 ? -0.725 21.609 3.209 0.40 49.87 ? 289 GLY a O 1 +ATOM 27586 O O B GLY S 1 289 ? -0.633 21.553 3.168 0.60 49.80 ? 289 GLY a O 1 +ATOM 27587 N N A ILE S 1 290 ? -0.260 19.406 3.237 0.40 52.85 ? 290 ILE a N 1 +ATOM 27588 N N B ILE S 1 290 ? -0.211 19.344 3.237 0.60 52.96 ? 290 ILE a N 1 +ATOM 27589 C CA A ILE S 1 290 ? -1.156 19.127 2.116 0.40 49.88 ? 290 ILE a CA 1 +ATOM 27590 C CA B ILE S 1 290 ? -1.113 19.057 2.122 0.60 49.87 ? 290 ILE a CA 1 +ATOM 27591 C C A ILE S 1 290 ? -2.583 19.518 2.474 0.40 52.64 ? 290 ILE a C 1 +ATOM 27592 C C B ILE S 1 290 ? -2.530 19.497 2.459 0.60 52.79 ? 290 ILE a C 1 +ATOM 27593 O O A ILE S 1 290 ? -3.311 20.098 1.655 0.40 51.80 ? 290 ILE a O 1 +ATOM 27594 O O B ILE S 1 290 ? -3.222 20.110 1.634 0.60 51.88 ? 290 ILE a O 1 +ATOM 27595 C CB A ILE S 1 290 ? -1.069 17.640 1.703 0.40 52.96 ? 290 ILE a CB 1 +ATOM 27596 C CB B ILE S 1 290 ? -1.065 17.559 1.759 0.60 53.10 ? 290 ILE a CB 1 +ATOM 27597 C CG1 A ILE S 1 290 ? 0.370 17.254 1.322 0.40 48.03 ? 290 ILE a CG1 1 +ATOM 27598 C CG1 B ILE S 1 290 ? 0.369 17.127 1.433 0.60 47.79 ? 290 ILE a CG1 1 +ATOM 27599 C CG2 A ILE S 1 290 ? -2.050 17.320 0.559 0.40 46.86 ? 290 ILE a CG2 1 +ATOM 27600 C CG2 B ILE S 1 290 ? -2.024 17.239 0.586 0.60 46.84 ? 290 ILE a CG2 1 +ATOM 27601 C CD1 A ILE S 1 290 ? 0.909 18.009 0.141 0.40 46.79 ? 290 ILE a CD1 1 +ATOM 27602 C CD1 B ILE S 1 290 ? 0.975 17.902 0.293 0.60 46.75 ? 290 ILE a CD1 1 +ATOM 27603 N N A SER S 1 291 ? -3.005 19.201 3.703 0.40 48.18 ? 291 SER a N 1 +ATOM 27604 N N B SER S 1 291 ? -2.976 19.214 3.684 0.60 48.12 ? 291 SER a N 1 +ATOM 27605 C CA A SER S 1 291 ? -4.376 19.450 4.138 0.40 47.74 ? 291 SER a CA 1 +ATOM 27606 C CA B SER S 1 291 ? -4.359 19.469 4.066 0.60 47.67 ? 291 SER a CA 1 +ATOM 27607 C C A SER S 1 291 ? -4.690 20.936 4.292 0.40 53.89 ? 291 SER a C 1 +ATOM 27608 C C B SER S 1 291 ? -4.665 20.957 4.237 0.60 54.03 ? 291 SER a C 1 +ATOM 27609 O O A SER S 1 291 ? -5.863 21.313 4.258 0.40 54.34 ? 291 SER a O 1 +ATOM 27610 O O B SER S 1 291 ? -5.836 21.342 4.198 0.60 54.52 ? 291 SER a O 1 +ATOM 27611 C CB A SER S 1 291 ? -4.642 18.715 5.457 0.40 52.31 ? 291 SER a CB 1 +ATOM 27612 C CB B SER S 1 291 ? -4.688 18.720 5.357 0.60 52.39 ? 291 SER a CB 1 +ATOM 27613 O OG A SER S 1 291 ? -4.576 17.303 5.262 0.40 48.36 ? 291 SER a OG 1 +ATOM 27614 O OG B SER S 1 291 ? -4.401 17.331 5.251 0.60 48.44 ? 291 SER a OG 1 +ATOM 27615 N N A THR S 1 292 ? -3.688 21.790 4.477 0.40 49.15 ? 292 THR a N 1 +ATOM 27616 N N B THR S 1 292 ? -3.658 21.805 4.438 0.60 49.01 ? 292 THR a N 1 +ATOM 27617 C CA A THR S 1 292 ? -3.962 23.215 4.570 0.40 52.40 ? 292 THR a CA 1 +ATOM 27618 C CA B THR S 1 292 ? -3.948 23.229 4.543 0.60 52.41 ? 292 THR a CA 1 +ATOM 27619 C C A THR S 1 292 ? -3.687 23.944 3.266 0.40 55.09 ? 292 THR a C 1 +ATOM 27620 C C B THR S 1 292 ? -3.676 23.972 3.248 0.60 55.23 ? 292 THR a C 1 +ATOM 27621 O O A THR S 1 292 ? -4.364 24.936 2.969 0.40 56.72 ? 292 THR a O 1 +ATOM 27622 O O B THR S 1 292 ? -4.349 24.969 2.963 0.60 56.95 ? 292 THR a O 1 +ATOM 27623 C CB A THR S 1 292 ? -3.158 23.869 5.713 0.40 55.53 ? 292 THR a CB 1 +ATOM 27624 C CB B THR S 1 292 ? -3.165 23.876 5.698 0.60 55.63 ? 292 THR a CB 1 +ATOM 27625 O OG1 A THR S 1 292 ? -1.749 23.667 5.525 0.40 54.64 ? 292 THR a OG1 1 +ATOM 27626 O OG1 B THR S 1 292 ? -1.754 23.710 5.517 0.60 54.77 ? 292 THR a OG1 1 +ATOM 27627 C CG2 A THR S 1 292 ? -3.593 23.307 7.063 0.40 49.55 ? 292 THR a CG2 1 +ATOM 27628 C CG2 B THR S 1 292 ? -3.590 23.268 7.031 0.60 49.47 ? 292 THR a CG2 1 +ATOM 27629 N N A MET S 1 293 ? -2.731 23.468 2.468 0.40 50.51 ? 293 MET a N 1 +ATOM 27630 N N B MET S 1 293 ? -2.733 23.497 2.435 0.60 50.56 ? 293 MET a N 1 +ATOM 27631 C CA A MET S 1 293 ? -2.663 23.953 1.093 0.40 50.50 ? 293 MET a CA 1 +ATOM 27632 C CA B MET S 1 293 ? -2.664 23.989 1.065 0.60 50.47 ? 293 MET a CA 1 +ATOM 27633 C C A MET S 1 293 ? -3.914 23.568 0.309 0.40 51.09 ? 293 MET a C 1 +ATOM 27634 C C B MET S 1 293 ? -3.895 23.583 0.263 0.60 51.17 ? 293 MET a C 1 +ATOM 27635 O O A MET S 1 293 ? -4.226 24.215 -0.696 0.40 52.38 ? 293 MET a O 1 +ATOM 27636 O O B MET S 1 293 ? -4.168 24.192 -0.778 0.60 52.56 ? 293 MET a O 1 +ATOM 27637 C CB A MET S 1 293 ? -1.381 23.447 0.429 0.40 42.31 ? 293 MET a CB 1 +ATOM 27638 C CB B MET S 1 293 ? -1.369 23.514 0.408 0.60 42.14 ? 293 MET a CB 1 +ATOM 27639 C CG A MET S 1 293 ? -0.197 24.300 0.856 0.40 49.55 ? 293 MET a CG 1 +ATOM 27640 C CG B MET S 1 293 ? -0.157 24.326 0.879 0.60 49.53 ? 293 MET a CG 1 +ATOM 27641 S SD A MET S 1 293 ? 1.449 23.780 0.365 0.40 56.23 ? 293 MET a SD 1 +ATOM 27642 S SD B MET S 1 293 ? 1.459 23.762 0.309 0.60 56.40 ? 293 MET a SD 1 +ATOM 27643 C CE A MET S 1 293 ? 1.750 22.434 1.524 0.40 47.42 ? 293 MET a CE 1 +ATOM 27644 C CE B MET S 1 293 ? 1.828 22.469 1.497 0.60 47.47 ? 293 MET a CE 1 +ATOM 27645 N N A ALA S 1 294 ? -4.659 22.561 0.779 0.40 47.83 ? 294 ALA a N 1 +ATOM 27646 N N B ALA S 1 294 ? -4.661 22.592 0.741 0.60 47.78 ? 294 ALA a N 1 +ATOM 27647 C CA A ALA S 1 294 ? -5.969 22.243 0.212 0.40 46.23 ? 294 ALA a CA 1 +ATOM 27648 C CA B ALA S 1 294 ? -5.954 22.278 0.139 0.60 46.12 ? 294 ALA a CA 1 +ATOM 27649 C C A ALA S 1 294 ? -6.920 23.436 0.266 0.40 56.09 ? 294 ALA a C 1 +ATOM 27650 C C B ALA S 1 294 ? -6.914 23.458 0.204 0.60 56.28 ? 294 ALA a C 1 +ATOM 27651 O O A ALA S 1 294 ? -7.862 23.518 -0.531 0.40 51.07 ? 294 ALA a O 1 +ATOM 27652 O O B ALA S 1 294 ? -7.833 23.545 -0.617 0.60 51.10 ? 294 ALA a O 1 +ATOM 27653 C CB A ALA S 1 294 ? -6.587 21.058 0.956 0.40 43.06 ? 294 ALA a CB 1 +ATOM 27654 C CB B ALA S 1 294 ? -6.585 21.076 0.835 0.60 42.63 ? 294 ALA a CB 1 +ATOM 27655 N N A PHE S 1 295 ? -6.718 24.341 1.225 0.40 50.05 ? 295 PHE a N 1 +ATOM 27656 N N B PHE S 1 295 ? -6.727 24.355 1.171 0.60 49.94 ? 295 PHE a N 1 +ATOM 27657 C CA A PHE S 1 295 ? -7.504 25.561 1.353 0.40 56.01 ? 295 PHE a CA 1 +ATOM 27658 C CA B PHE S 1 295 ? -7.517 25.571 1.300 0.60 56.05 ? 295 PHE a CA 1 +ATOM 27659 C C A PHE S 1 295 ? -6.690 26.777 0.947 0.40 56.40 ? 295 PHE a C 1 +ATOM 27660 C C B PHE S 1 295 ? -6.712 26.794 0.890 0.60 56.56 ? 295 PHE a C 1 +ATOM 27661 O O A PHE S 1 295 ? -6.993 27.896 1.365 0.40 55.46 ? 295 PHE a O 1 +ATOM 27662 O O B PHE S 1 295 ? -7.045 27.917 1.280 0.60 55.59 ? 295 PHE a O 1 +ATOM 27663 C CB A PHE S 1 295 ? -8.042 25.694 2.782 0.40 52.99 ? 295 PHE a CB 1 +ATOM 27664 C CB B PHE S 1 295 ? -8.051 25.702 2.730 0.60 53.05 ? 295 PHE a CB 1 +ATOM 27665 C CG A PHE S 1 295 ? -8.749 24.460 3.255 0.40 52.30 ? 295 PHE a CG 1 +ATOM 27666 C CG B PHE S 1 295 ? -8.751 24.461 3.214 0.60 52.33 ? 295 PHE a CG 1 +ATOM 27667 C CD1 A PHE S 1 295 ? -9.983 24.109 2.707 0.40 51.43 ? 295 PHE a CD1 1 +ATOM 27668 C CD1 B PHE S 1 295 ? -9.982 24.093 2.680 0.60 51.39 ? 295 PHE a CD1 1 +ATOM 27669 C CD2 A PHE S 1 295 ? -8.164 23.616 4.198 0.40 51.26 ? 295 PHE a CD2 1 +ATOM 27670 C CD2 B PHE S 1 295 ? -8.166 23.641 4.173 0.60 51.25 ? 295 PHE a CD2 1 +ATOM 27671 C CE1 A PHE S 1 295 ? -10.629 22.937 3.109 0.40 57.79 ? 295 PHE a CE1 1 +ATOM 27672 C CE1 B PHE S 1 295 ? -10.621 22.932 3.095 0.60 57.86 ? 295 PHE a CE1 1 +ATOM 27673 C CE2 A PHE S 1 295 ? -8.804 22.453 4.616 0.40 53.26 ? 295 PHE a CE2 1 +ATOM 27674 C CE2 B PHE S 1 295 ? -8.801 22.483 4.609 0.60 53.32 ? 295 PHE a CE2 1 +ATOM 27675 C CZ A PHE S 1 295 ? -10.035 22.104 4.076 0.40 53.98 ? 295 PHE a CZ 1 +ATOM 27676 C CZ B PHE S 1 295 ? -10.028 22.120 4.072 0.60 54.08 ? 295 PHE a CZ 1 +ATOM 27677 N N A ASN S 1 296 ? -5.635 26.554 0.161 0.40 49.90 ? 296 ASN a N 1 +ATOM 27678 N N B ASN S 1 296 ? -5.639 26.577 0.126 0.60 49.87 ? 296 ASN a N 1 +ATOM 27679 C CA A ASN S 1 296 ? -4.911 27.591 -0.564 0.40 54.30 ? 296 ASN a CA 1 +ATOM 27680 C CA B ASN S 1 296 ? -4.882 27.601 -0.590 0.60 54.37 ? 296 ASN a CA 1 +ATOM 27681 C C A ASN S 1 296 ? -4.143 28.538 0.350 0.40 53.68 ? 296 ASN a C 1 +ATOM 27682 C C B ASN S 1 296 ? -4.103 28.545 0.317 0.60 53.75 ? 296 ASN a C 1 +ATOM 27683 O O A ASN S 1 296 ? -3.926 29.698 0.001 0.40 54.65 ? 296 ASN a O 1 +ATOM 27684 O O B ASN S 1 296 ? -3.784 29.663 -0.089 0.60 54.48 ? 296 ASN a O 1 +ATOM 27685 C CB A ASN S 1 296 ? -5.839 28.391 -1.474 0.40 53.63 ? 296 ASN a CB 1 +ATOM 27686 C CB B ASN S 1 296 ? -5.785 28.410 -1.522 0.60 53.64 ? 296 ASN a CB 1 +ATOM 27687 C CG A ASN S 1 296 ? -6.573 27.514 -2.453 0.40 52.63 ? 296 ASN a CG 1 +ATOM 27688 C CG B ASN S 1 296 ? -6.522 27.536 -2.507 0.60 52.66 ? 296 ASN a CG 1 +ATOM 27689 O OD1 A ASN S 1 296 ? -5.998 26.577 -3.015 0.40 51.71 ? 296 ASN a OD1 1 +ATOM 27690 O OD1 B ASN S 1 296 ? -5.942 26.616 -3.085 0.60 51.81 ? 296 ASN a OD1 1 +ATOM 27691 N ND2 A ASN S 1 296 ? -7.857 27.799 -2.658 0.40 52.76 ? 296 ASN a ND2 1 +ATOM 27692 N ND2 B ASN S 1 296 ? -7.807 27.804 -2.693 0.60 52.78 ? 296 ASN a ND2 1 +ATOM 27693 N N A LEU S 1 297 ? -3.682 28.074 1.497 0.40 51.81 ? 297 LEU a N 1 +ATOM 27694 N N B LEU S 1 297 ? -3.741 28.118 1.521 0.60 51.78 ? 297 LEU a N 1 +ATOM 27695 C CA A LEU S 1 297 ? -2.728 28.862 2.275 0.40 54.65 ? 297 LEU a CA 1 +ATOM 27696 C CA B LEU S 1 297 ? -2.724 28.837 2.287 0.60 54.72 ? 297 LEU a CA 1 +ATOM 27697 C C A LEU S 1 297 ? -1.364 28.304 1.898 0.40 53.88 ? 297 LEU a C 1 +ATOM 27698 C C B LEU S 1 297 ? -1.387 28.232 1.877 0.60 53.99 ? 297 LEU a C 1 +ATOM 27699 O O A LEU S 1 297 ? -0.984 27.221 2.348 0.40 53.45 ? 297 LEU a O 1 +ATOM 27700 O O B LEU S 1 297 ? -1.043 27.119 2.284 0.60 53.52 ? 297 LEU a O 1 +ATOM 27701 C CB A LEU S 1 297 ? -3.024 28.787 3.766 0.40 51.23 ? 297 LEU a CB 1 +ATOM 27702 C CB B LEU S 1 297 ? -2.983 28.732 3.785 0.60 51.23 ? 297 LEU a CB 1 +ATOM 27703 C CG A LEU S 1 297 ? -2.134 29.631 4.680 0.40 52.56 ? 297 LEU a CG 1 +ATOM 27704 C CG B LEU S 1 297 ? -2.128 29.598 4.705 0.60 52.59 ? 297 LEU a CG 1 +ATOM 27705 C CD1 A LEU S 1 297 ? -2.269 31.102 4.358 0.40 48.36 ? 297 LEU a CD1 1 +ATOM 27706 C CD1 B LEU S 1 297 ? -2.232 31.049 4.276 0.60 48.21 ? 297 LEU a CD1 1 +ATOM 27707 C CD2 A LEU S 1 297 ? -2.480 29.355 6.146 0.40 54.82 ? 297 LEU a CD2 1 +ATOM 27708 C CD2 B LEU S 1 297 ? -2.571 29.421 6.161 0.60 54.82 ? 297 LEU a CD2 1 +ATOM 27709 N N A ASN S 1 298 ? -0.643 29.026 1.042 0.40 51.35 ? 298 ASN a N 1 +ATOM 27710 N N B ASN S 1 298 ? -0.637 28.961 1.053 0.60 51.30 ? 298 ASN a N 1 +ATOM 27711 C CA A ASN S 1 298 ? 0.434 28.432 0.262 0.40 51.26 ? 298 ASN a CA 1 +ATOM 27712 C CA B ASN S 1 298 ? 0.459 28.404 0.276 0.60 51.17 ? 298 ASN a CA 1 +ATOM 27713 C C A ASN S 1 298 ? 1.812 28.763 0.836 0.40 56.68 ? 298 ASN a C 1 +ATOM 27714 C C B ASN S 1 298 ? 1.820 28.732 0.896 0.60 56.89 ? 298 ASN a C 1 +ATOM 27715 O O A ASN S 1 298 ? 1.959 29.504 1.807 0.40 54.49 ? 298 ASN a O 1 +ATOM 27716 O O B ASN S 1 298 ? 1.939 29.450 1.895 0.60 54.54 ? 298 ASN a O 1 +ATOM 27717 C CB A ASN S 1 298 ? 0.297 28.870 -1.199 0.40 55.46 ? 298 ASN a CB 1 +ATOM 27718 C CB B ASN S 1 298 ? 0.363 28.902 -1.167 0.60 55.49 ? 298 ASN a CB 1 +ATOM 27719 C CG A ASN S 1 298 ? -1.025 28.424 -1.804 0.40 54.57 ? 298 ASN a CG 1 +ATOM 27720 C CG B ASN S 1 298 ? -0.889 28.396 -1.858 0.60 54.85 ? 298 ASN a CG 1 +ATOM 27721 O OD1 A ASN S 1 298 ? -1.567 27.378 -1.437 0.40 55.45 ? 298 ASN a OD1 1 +ATOM 27722 O OD1 B ASN S 1 298 ? -1.312 27.269 -1.632 0.60 56.15 ? 298 ASN a OD1 1 +ATOM 27723 N ND2 A ASN S 1 298 ? -1.555 29.217 -2.721 0.40 55.64 ? 298 ASN a ND2 1 +ATOM 27724 N ND2 B ASN S 1 298 ? -1.494 29.232 -2.690 0.60 55.74 ? 298 ASN a ND2 1 +ATOM 27725 N N A GLY S 1 299 ? 2.836 28.169 0.235 0.40 51.25 ? 299 GLY a N 1 +ATOM 27726 N N B GLY S 1 299 ? 2.867 28.175 0.296 0.60 51.27 ? 299 GLY a N 1 +ATOM 27727 C CA A GLY S 1 299 ? 4.196 28.407 0.671 0.40 49.53 ? 299 GLY a CA 1 +ATOM 27728 C CA B GLY S 1 299 ? 4.217 28.417 0.761 0.60 49.56 ? 299 GLY a CA 1 +ATOM 27729 C C A GLY S 1 299 ? 4.562 29.876 0.615 0.40 57.72 ? 299 GLY a C 1 +ATOM 27730 C C B GLY S 1 299 ? 4.593 29.878 0.648 0.60 57.86 ? 299 GLY a C 1 +ATOM 27731 O O A GLY S 1 299 ? 3.892 30.709 -0.004 0.40 57.16 ? 299 GLY a O 1 +ATOM 27732 O O B GLY S 1 299 ? 3.920 30.687 0.007 0.60 57.28 ? 299 GLY a O 1 +ATOM 27733 N N A PHE S 1 300 ? 5.670 30.195 1.282 0.40 57.22 ? 300 PHE a N 1 +ATOM 27734 N N B PHE S 1 300 ? 5.709 30.218 1.290 0.60 57.39 ? 300 PHE a N 1 +ATOM 27735 C CA A PHE S 1 300 ? 6.128 31.578 1.341 0.40 53.48 ? 300 PHE a CA 1 +ATOM 27736 C CA B PHE S 1 300 ? 6.139 31.609 1.335 0.60 53.41 ? 300 PHE a CA 1 +ATOM 27737 C C A PHE S 1 300 ? 6.351 32.132 -0.063 0.40 55.09 ? 300 PHE a C 1 +ATOM 27738 C C B PHE S 1 300 ? 6.364 32.150 -0.069 0.60 55.19 ? 300 PHE a C 1 +ATOM 27739 O O A PHE S 1 300 ? 6.903 31.457 -0.944 0.40 49.87 ? 300 PHE a O 1 +ATOM 27740 O O B PHE S 1 300 ? 6.928 31.474 -0.936 0.60 49.83 ? 300 PHE a O 1 +ATOM 27741 C CB A PHE S 1 300 ? 7.424 31.683 2.145 0.40 55.22 ? 300 PHE a CB 1 +ATOM 27742 C CB B PHE S 1 300 ? 7.421 31.757 2.155 0.60 55.18 ? 300 PHE a CB 1 +ATOM 27743 C CG A PHE S 1 300 ? 7.245 31.559 3.638 0.40 54.81 ? 300 PHE a CG 1 +ATOM 27744 C CG B PHE S 1 300 ? 7.220 31.627 3.637 0.60 54.79 ? 300 PHE a CG 1 +ATOM 27745 C CD1 A PHE S 1 300 ? 6.534 32.514 4.349 0.40 58.40 ? 300 PHE a CD1 1 +ATOM 27746 C CD1 B PHE S 1 300 ? 6.442 32.548 4.328 0.60 58.40 ? 300 PHE a CD1 1 +ATOM 27747 C CD2 A PHE S 1 300 ? 7.831 30.503 4.338 0.40 50.49 ? 300 PHE a CD2 1 +ATOM 27748 C CD2 B PHE S 1 300 ? 7.830 30.605 4.346 0.60 50.49 ? 300 PHE a CD2 1 +ATOM 27749 C CE1 A PHE S 1 300 ? 6.391 32.418 5.742 0.40 63.94 ? 300 PHE a CE1 1 +ATOM 27750 C CE1 B PHE S 1 300 ? 6.266 32.440 5.709 0.60 64.13 ? 300 PHE a CE1 1 +ATOM 27751 C CE2 A PHE S 1 300 ? 7.692 30.394 5.727 0.40 55.08 ? 300 PHE a CE2 1 +ATOM 27752 C CE2 B PHE S 1 300 ? 7.660 30.492 5.726 0.60 55.09 ? 300 PHE a CE2 1 +ATOM 27753 C CZ A PHE S 1 300 ? 6.973 31.353 6.430 0.40 61.63 ? 300 PHE a CZ 1 +ATOM 27754 C CZ B PHE S 1 300 ? 6.878 31.408 6.405 0.60 61.79 ? 300 PHE a CZ 1 +ATOM 27755 N N A ASN S 1 301 ? 5.931 33.378 -0.262 0.40 54.66 ? 301 ASN a N 1 +ATOM 27756 N N B ASN S 1 301 ? 5.931 33.386 -0.278 0.60 54.70 ? 301 ASN a N 1 +ATOM 27757 C CA A ASN S 1 301 ? 6.063 34.081 -1.534 0.40 52.88 ? 301 ASN a CA 1 +ATOM 27758 C CA B ASN S 1 301 ? 6.068 34.085 -1.550 0.60 52.88 ? 301 ASN a CA 1 +ATOM 27759 C C A ASN S 1 301 ? 7.052 35.229 -1.348 0.40 52.49 ? 301 ASN a C 1 +ATOM 27760 C C B ASN S 1 301 ? 7.056 35.226 -1.339 0.60 52.51 ? 301 ASN a C 1 +ATOM 27761 O O A ASN S 1 301 ? 6.700 36.276 -0.807 0.40 53.60 ? 301 ASN a O 1 +ATOM 27762 O O B ASN S 1 301 ? 6.713 36.250 -0.746 0.60 53.64 ? 301 ASN a O 1 +ATOM 27763 C CB A ASN S 1 301 ? 4.702 34.587 -2.004 0.40 46.81 ? 301 ASN a CB 1 +ATOM 27764 C CB B ASN S 1 301 ? 4.708 34.590 -2.022 0.60 46.67 ? 301 ASN a CB 1 +ATOM 27765 C CG A ASN S 1 301 ? 4.757 35.232 -3.380 0.40 54.83 ? 301 ASN a CG 1 +ATOM 27766 C CG B ASN S 1 301 ? 4.755 35.202 -3.411 0.60 54.99 ? 301 ASN a CG 1 +ATOM 27767 O OD1 A ASN S 1 301 ? 5.787 35.782 -3.787 0.40 50.59 ? 301 ASN a OD1 1 +ATOM 27768 O OD1 B ASN S 1 301 ? 5.779 35.736 -3.843 0.60 50.58 ? 301 ASN a OD1 1 +ATOM 27769 N ND2 A ASN S 1 301 ? 3.642 35.165 -4.109 0.40 50.20 ? 301 ASN a ND2 1 +ATOM 27770 N ND2 B ASN S 1 301 ? 3.632 35.129 -4.119 0.60 50.16 ? 301 ASN a ND2 1 +ATOM 27771 N N . PHE S 1 302 ? 8.282 35.057 -1.826 1.00 53.22 ? 302 PHE a N 1 +ATOM 27772 C CA . PHE S 1 302 ? 9.262 36.135 -1.822 1.00 45.87 ? 302 PHE a CA 1 +ATOM 27773 C C . PHE S 1 302 ? 9.570 36.636 -3.232 1.00 52.91 ? 302 PHE a C 1 +ATOM 27774 O O . PHE S 1 302 ? 10.684 37.105 -3.497 1.00 51.84 ? 302 PHE a O 1 +ATOM 27775 C CB . PHE S 1 302 ? 10.533 35.701 -1.098 1.00 51.64 ? 302 PHE a CB 1 +ATOM 27776 C CG . PHE S 1 302 ? 10.284 35.278 0.334 1.00 54.76 ? 302 PHE a CG 1 +ATOM 27777 C CD1 . PHE S 1 302 ? 9.818 36.204 1.271 1.00 52.91 ? 302 PHE a CD1 1 +ATOM 27778 C CD2 . PHE S 1 302 ? 10.489 33.967 0.733 1.00 52.93 ? 302 PHE a CD2 1 +ATOM 27779 C CE1 . PHE S 1 302 ? 9.557 35.842 2.559 1.00 54.66 ? 302 PHE a CE1 1 +ATOM 27780 C CE2 . PHE S 1 302 ? 10.236 33.587 2.041 1.00 57.53 ? 302 PHE a CE2 1 +ATOM 27781 C CZ . PHE S 1 302 ? 9.770 34.538 2.963 1.00 61.54 ? 302 PHE a CZ 1 +ATOM 27782 N N A ASN S 1 303 ? 8.582 36.572 -4.139 0.40 51.55 ? 303 ASN a N 1 +ATOM 27783 N N B ASN S 1 303 ? 8.595 36.552 -4.139 0.60 51.50 ? 303 ASN a N 1 +ATOM 27784 C CA A ASN S 1 303 ? 8.764 37.041 -5.511 0.40 55.07 ? 303 ASN a CA 1 +ATOM 27785 C CA B ASN S 1 303 ? 8.793 37.021 -5.508 0.60 55.11 ? 303 ASN a CA 1 +ATOM 27786 C C A ASN S 1 303 ? 8.893 38.564 -5.533 0.40 57.90 ? 303 ASN a C 1 +ATOM 27787 C C B ASN S 1 303 ? 8.907 38.543 -5.522 0.60 57.94 ? 303 ASN a C 1 +ATOM 27788 O O A ASN S 1 303 ? 7.974 39.274 -5.107 0.40 59.71 ? 303 ASN a O 1 +ATOM 27789 O O B ASN S 1 303 ? 7.985 39.243 -5.088 0.60 59.84 ? 303 ASN a O 1 +ATOM 27790 C CB A ASN S 1 303 ? 7.592 36.585 -6.385 0.40 50.75 ? 303 ASN a CB 1 +ATOM 27791 C CB B ASN S 1 303 ? 7.642 36.564 -6.403 0.60 50.67 ? 303 ASN a CB 1 +ATOM 27792 C CG A ASN S 1 303 ? 7.450 35.068 -6.426 0.40 53.27 ? 303 ASN a CG 1 +ATOM 27793 C CG B ASN S 1 303 ? 7.475 35.050 -6.430 0.60 53.32 ? 303 ASN a CG 1 +ATOM 27794 O OD1 A ASN S 1 303 ? 8.434 34.347 -6.293 0.40 53.52 ? 303 ASN a OD1 1 +ATOM 27795 O OD1 B ASN S 1 303 ? 8.441 34.303 -6.278 0.60 53.59 ? 303 ASN a OD1 1 +ATOM 27796 N ND2 A ASN S 1 303 ? 6.223 34.582 -6.594 0.40 51.27 ? 303 ASN a ND2 1 +ATOM 27797 N ND2 B ASN S 1 303 ? 6.246 34.598 -6.624 0.60 51.26 ? 303 ASN a ND2 1 +ATOM 27798 N N . HIS S 1 304 ? 10.036 39.046 -6.032 1.00 48.87 ? 304 HIS a N 1 +ATOM 27799 C CA . HIS S 1 304 ? 10.343 40.477 -6.085 1.00 53.98 ? 304 HIS a CA 1 +ATOM 27800 C C . HIS S 1 304 ? 10.395 41.087 -4.685 1.00 57.78 ? 304 HIS a C 1 +ATOM 27801 O O . HIS S 1 304 ? 10.013 42.238 -4.483 1.00 60.11 ? 304 HIS a O 1 +ATOM 27802 C CB . HIS S 1 304 ? 9.350 41.241 -6.975 1.00 53.16 ? 304 HIS a CB 1 +ATOM 27803 C CG . HIS S 1 304 ? 9.284 40.737 -8.383 1.00 56.88 ? 304 HIS a CG 1 +ATOM 27804 N ND1 . HIS S 1 304 ? 8.573 41.381 -9.376 1.00 57.36 ? 304 HIS a ND1 1 +ATOM 27805 C CD2 . HIS S 1 304 ? 9.838 39.646 -8.965 1.00 54.69 ? 304 HIS a CD2 1 +ATOM 27806 C CE1 . HIS S 1 304 ? 8.687 40.705 -10.504 1.00 54.08 ? 304 HIS a CE1 1 +ATOM 27807 N NE2 . HIS S 1 304 ? 9.447 39.648 -10.280 1.00 57.33 ? 304 HIS a NE2 1 +ATOM 27808 N N . SER S 1 305 ? 10.865 40.305 -3.696 1.00 63.97 ? 305 SER a N 1 +ATOM 27809 C CA . SER S 1 305 ? 10.951 40.852 -2.341 1.00 63.11 ? 305 SER a CA 1 +ATOM 27810 C C . SER S 1 305 ? 12.128 41.807 -2.186 1.00 62.34 ? 305 SER a C 1 +ATOM 27811 O O . SER S 1 305 ? 12.050 42.744 -1.390 1.00 60.05 ? 305 SER a O 1 +ATOM 27812 C CB . SER S 1 305 ? 11.042 39.729 -1.301 1.00 55.27 ? 305 SER a CB 1 +ATOM 27813 O OG . SER S 1 305 ? 9.745 39.259 -0.939 1.00 56.12 ? 305 SER a OG 1 +ATOM 27814 N N . VAL S 1 306 ? 13.201 41.610 -2.947 1.00 57.78 ? 306 VAL a N 1 +ATOM 27815 C CA . VAL S 1 306 ? 14.397 42.434 -2.862 1.00 51.57 ? 306 VAL a CA 1 +ATOM 27816 C C . VAL S 1 306 ? 14.426 43.373 -4.055 1.00 64.15 ? 306 VAL a C 1 +ATOM 27817 O O . VAL S 1 306 ? 14.503 42.918 -5.204 1.00 62.06 ? 306 VAL a O 1 +ATOM 27818 C CB . VAL S 1 306 ? 15.667 41.576 -2.832 1.00 62.34 ? 306 VAL a CB 1 +ATOM 27819 C CG1 . VAL S 1 306 ? 16.910 42.471 -2.775 1.00 57.77 ? 306 VAL a CG1 1 +ATOM 27820 C CG2 . VAL S 1 306 ? 15.615 40.588 -1.681 1.00 52.63 ? 306 VAL a CG2 1 +ATOM 27821 N N . ILE S 1 307 ? 14.402 44.685 -3.799 1.00 63.15 ? 307 ILE a N 1 +ATOM 27822 C CA . ILE S 1 307 ? 14.571 45.674 -4.858 1.00 68.59 ? 307 ILE a CA 1 +ATOM 27823 C C . ILE S 1 307 ? 15.654 46.669 -4.458 1.00 58.20 ? 307 ILE a C 1 +ATOM 27824 O O . ILE S 1 307 ? 16.001 46.802 -3.284 1.00 61.68 ? 307 ILE a O 1 +ATOM 27825 C CB . ILE S 1 307 ? 13.249 46.385 -5.212 1.00 68.68 ? 307 ILE a CB 1 +ATOM 27826 C CG1 . ILE S 1 307 ? 12.616 47.011 -3.997 1.00 58.38 ? 307 ILE a CG1 1 +ATOM 27827 C CG2 . ILE S 1 307 ? 12.240 45.385 -5.780 1.00 68.23 ? 307 ILE a CG2 1 +ATOM 27828 C CD1 . ILE S 1 307 ? 11.322 47.721 -4.364 1.00 73.38 ? 307 ILE a CD1 1 +ATOM 27829 N N . ASP S 1 308 ? 16.221 47.342 -5.461 1.00 60.80 ? 308 ASP a N 1 +ATOM 27830 C CA . ASP S 1 308 ? 17.394 48.181 -5.242 1.00 66.55 ? 308 ASP a CA 1 +ATOM 27831 C C . ASP S 1 308 ? 16.973 49.635 -4.976 1.00 64.75 ? 308 ASP a C 1 +ATOM 27832 O O . ASP S 1 308 ? 15.785 49.944 -4.835 1.00 61.17 ? 308 ASP a O 1 +ATOM 27833 C CB . ASP S 1 308 ? 18.372 48.041 -6.416 1.00 55.57 ? 308 ASP a CB 1 +ATOM 27834 C CG . ASP S 1 308 ? 17.977 48.869 -7.654 1.00 66.94 ? 308 ASP a CG 1 +ATOM 27835 O OD1 . ASP S 1 308 ? 16.845 49.412 -7.746 1.00 59.47 ? 308 ASP a OD1 1 +ATOM 27836 O OD2 . ASP S 1 308 ? 18.831 48.959 -8.560 1.00 60.89 ? 308 ASP a OD2 1 +ATOM 27837 N N . ALA S 1 309 ? 17.959 50.546 -4.905 1.00 63.21 ? 309 ALA a N 1 +ATOM 27838 C CA . ALA S 1 309 ? 17.671 51.952 -4.592 1.00 75.54 ? 309 ALA a CA 1 +ATOM 27839 C C . ALA S 1 309 ? 16.726 52.580 -5.614 1.00 73.98 ? 309 ALA a C 1 +ATOM 27840 O O . ALA S 1 309 ? 15.793 53.305 -5.247 1.00 68.62 ? 309 ALA a O 1 +ATOM 27841 C CB . ALA S 1 309 ? 18.969 52.757 -4.520 1.00 60.17 ? 309 ALA a CB 1 +ATOM 27842 N N . LYS S 1 310 ? 16.951 52.314 -6.902 1.00 65.10 ? 310 LYS a N 1 +ATOM 27843 C CA . LYS S 1 310 ? 16.071 52.848 -7.933 1.00 65.33 ? 310 LYS a CA 1 +ATOM 27844 C C . LYS S 1 310 ? 14.696 52.189 -7.907 1.00 72.38 ? 310 LYS a C 1 +ATOM 27845 O O . LYS S 1 310 ? 13.696 52.827 -8.254 1.00 67.76 ? 310 LYS a O 1 +ATOM 27846 C CB . LYS S 1 310 ? 16.726 52.671 -9.294 1.00 61.00 ? 310 LYS a CB 1 +ATOM 27847 C CG . LYS S 1 310 ? 16.039 53.417 -10.416 1.00 69.86 ? 310 LYS a CG 1 +ATOM 27848 C CD . LYS S 1 310 ? 16.764 53.135 -11.726 1.00 66.60 ? 310 LYS a CD 1 +ATOM 27849 C CE . LYS S 1 310 ? 16.140 53.891 -12.883 1.00 73.83 ? 310 LYS a CE 1 +ATOM 27850 N NZ . LYS S 1 310 ? 16.711 53.438 -14.189 1.00 61.84 ? 310 LYS a NZ 1 +ATOM 27851 N N . GLY S 1 311 ? 14.627 50.923 -7.493 1.00 69.67 ? 311 GLY a N 1 +ATOM 27852 C CA . GLY S 1 311 ? 13.416 50.132 -7.590 1.00 64.16 ? 311 GLY a CA 1 +ATOM 27853 C C . GLY S 1 311 ? 13.484 48.978 -8.574 1.00 65.17 ? 311 GLY a C 1 +ATOM 27854 O O . GLY S 1 311 ? 12.458 48.323 -8.787 1.00 62.94 ? 311 GLY a O 1 +ATOM 27855 N N . ASN S 1 312 ? 14.633 48.744 -9.218 1.00 60.07 ? 312 ASN a N 1 +ATOM 27856 C CA . ASN S 1 312 ? 14.865 47.510 -9.961 1.00 56.18 ? 312 ASN a CA 1 +ATOM 27857 C C . ASN S 1 312 ? 14.628 46.287 -9.078 1.00 60.43 ? 312 ASN a C 1 +ATOM 27858 O O . ASN S 1 312 ? 15.003 46.273 -7.902 1.00 57.17 ? 312 ASN a O 1 +ATOM 27859 C CB . ASN S 1 312 ? 16.313 47.459 -10.466 1.00 65.29 ? 312 ASN a CB 1 +ATOM 27860 C CG . ASN S 1 312 ? 16.636 48.552 -11.469 1.00 79.76 ? 312 ASN a CG 1 +ATOM 27861 O OD1 . ASN S 1 312 ? 15.944 48.716 -12.482 1.00 75.24 ? 312 ASN a OD1 1 +ATOM 27862 N ND2 . ASN S 1 312 ? 17.707 49.299 -11.200 1.00 62.07 ? 312 ASN a ND2 1 +ATOM 27863 N N . VAL S 1 313 ? 14.059 45.234 -9.656 1.00 57.70 ? 313 VAL a N 1 +ATOM 27864 C CA . VAL S 1 313 ? 14.018 43.945 -8.964 1.00 62.80 ? 313 VAL a CA 1 +ATOM 27865 C C . VAL S 1 313 ? 15.403 43.315 -9.002 1.00 56.13 ? 313 VAL a C 1 +ATOM 27866 O O . VAL S 1 313 ? 16.030 43.220 -10.063 1.00 58.67 ? 313 VAL a O 1 +ATOM 27867 C CB . VAL S 1 313 ? 12.967 43.006 -9.575 1.00 65.01 ? 313 VAL a CB 1 +ATOM 27868 C CG1 . VAL S 1 313 ? 13.019 41.633 -8.883 1.00 61.94 ? 313 VAL a CG1 1 +ATOM 27869 C CG2 . VAL S 1 313 ? 11.582 43.594 -9.414 1.00 61.57 ? 313 VAL a CG2 1 +ATOM 27870 N N . ILE S 1 314 ? 15.893 42.914 -7.835 1.00 56.64 ? 314 ILE a N 1 +ATOM 27871 C CA . ILE S 1 314 ? 17.086 42.084 -7.708 1.00 57.40 ? 314 ILE a CA 1 +ATOM 27872 C C . ILE S 1 314 ? 16.603 40.663 -7.438 1.00 61.27 ? 314 ILE a C 1 +ATOM 27873 O O . ILE S 1 314 ? 16.113 40.367 -6.341 1.00 52.04 ? 314 ILE a O 1 +ATOM 27874 C CB . ILE S 1 314 ? 18.007 42.569 -6.576 1.00 63.15 ? 314 ILE a CB 1 +ATOM 27875 C CG1 . ILE S 1 314 ? 18.280 44.077 -6.686 1.00 61.82 ? 314 ILE a CG1 1 +ATOM 27876 C CG2 . ILE S 1 314 ? 19.309 41.748 -6.570 1.00 63.59 ? 314 ILE a CG2 1 +ATOM 27877 C CD1 . ILE S 1 314 ? 19.144 44.467 -7.877 1.00 57.02 ? 314 ILE a CD1 1 +ATOM 27878 N N . ASN S 1 315 ? 16.734 39.782 -8.426 1.00 61.35 ? 315 ASN a N 1 +ATOM 27879 C CA . ASN S 1 315 ? 16.355 38.380 -8.240 1.00 61.06 ? 315 ASN a CA 1 +ATOM 27880 C C . ASN S 1 315 ? 17.131 37.736 -7.096 1.00 56.58 ? 315 ASN a C 1 +ATOM 27881 O O . ASN S 1 315 ? 18.322 38.005 -6.905 1.00 56.48 ? 315 ASN a O 1 +ATOM 27882 C CB . ASN S 1 315 ? 16.620 37.584 -9.518 1.00 45.60 ? 315 ASN a CB 1 +ATOM 27883 C CG . ASN S 1 315 ? 15.642 37.904 -10.617 1.00 63.99 ? 315 ASN a CG 1 +ATOM 27884 O OD1 . ASN S 1 315 ? 14.529 38.384 -10.364 1.00 62.93 ? 315 ASN a OD1 1 +ATOM 27885 N ND2 . ASN S 1 315 ? 16.039 37.625 -11.848 1.00 64.63 ? 315 ASN a ND2 1 +ATOM 27886 N N . THR S 1 316 ? 16.439 36.874 -6.342 1.00 49.09 ? 316 THR a N 1 +ATOM 27887 C CA . THR S 1 316 ? 17.031 35.866 -5.468 1.00 50.49 ? 316 THR a CA 1 +ATOM 27888 C C . THR S 1 316 ? 16.697 34.479 -6.008 1.00 55.19 ? 316 THR a C 1 +ATOM 27889 O O . THR S 1 316 ? 15.970 34.327 -6.991 1.00 50.30 ? 316 THR a O 1 +ATOM 27890 C CB . THR S 1 316 ? 16.505 35.988 -4.035 1.00 63.39 ? 316 THR a CB 1 +ATOM 27891 O OG1 . THR S 1 316 ? 15.146 35.523 -3.999 1.00 57.79 ? 316 THR a OG1 1 +ATOM 27892 C CG2 . THR S 1 316 ? 16.550 37.442 -3.558 1.00 58.15 ? 316 THR a CG2 1 +ATOM 27893 N N . TRP S 1 317 ? 17.201 33.456 -5.318 1.00 55.96 ? 317 TRP a N 1 +ATOM 27894 C CA . TRP S 1 317 ? 16.855 32.084 -5.669 1.00 57.03 ? 317 TRP a CA 1 +ATOM 27895 C C . TRP S 1 317 ? 15.356 31.837 -5.580 1.00 52.55 ? 317 TRP a C 1 +ATOM 27896 O O . TRP S 1 317 ? 14.853 30.938 -6.260 1.00 57.88 ? 317 TRP a O 1 +ATOM 27897 C CB . TRP S 1 317 ? 17.607 31.086 -4.782 1.00 52.22 ? 317 TRP a CB 1 +ATOM 27898 C CG . TRP S 1 317 ? 19.061 30.910 -5.147 1.00 50.84 ? 317 TRP a CG 1 +ATOM 27899 C CD1 . TRP S 1 317 ? 20.147 31.293 -4.408 1.00 54.46 ? 317 TRP a CD1 1 +ATOM 27900 C CD2 . TRP S 1 317 ? 19.587 30.310 -6.339 1.00 51.32 ? 317 TRP a CD2 1 +ATOM 27901 N NE1 . TRP S 1 317 ? 21.316 30.966 -5.061 1.00 46.16 ? 317 TRP a NE1 1 +ATOM 27902 C CE2 . TRP S 1 317 ? 21.004 30.362 -6.245 1.00 52.88 ? 317 TRP a CE2 1 +ATOM 27903 C CE3 . TRP S 1 317 ? 19.003 29.732 -7.484 1.00 48.00 ? 317 TRP a CE3 1 +ATOM 27904 C CZ2 . TRP S 1 317 ? 21.843 29.867 -7.256 1.00 52.43 ? 317 TRP a CZ2 1 +ATOM 27905 C CZ3 . TRP S 1 317 ? 19.834 29.244 -8.471 1.00 49.65 ? 317 TRP a CZ3 1 +ATOM 27906 C CH2 . TRP S 1 317 ? 21.237 29.308 -8.353 1.00 50.80 ? 317 TRP a CH2 1 +ATOM 27907 N N . ALA S 1 318 ? 14.620 32.639 -4.807 1.00 46.60 ? 318 ALA a N 1 +ATOM 27908 C CA . ALA S 1 318 ? 13.167 32.484 -4.789 1.00 58.35 ? 318 ALA a CA 1 +ATOM 27909 C C . ALA S 1 318 ? 12.545 32.848 -6.137 1.00 55.58 ? 318 ALA a C 1 +ATOM 27910 O O . ALA S 1 318 ? 11.589 32.200 -6.578 1.00 56.79 ? 318 ALA a O 1 +ATOM 27911 C CB . ALA S 1 318 ? 12.545 33.321 -3.673 1.00 53.69 ? 318 ALA a CB 1 +ATOM 27912 N N . ASP S 1 319 ? 13.080 33.860 -6.813 1.00 50.61 ? 319 ASP a N 1 +ATOM 27913 C CA . ASP S 1 319 ? 12.544 34.236 -8.120 1.00 52.57 ? 319 ASP a CA 1 +ATOM 27914 C C . ASP S 1 319 ? 12.855 33.188 -9.185 1.00 52.03 ? 319 ASP a C 1 +ATOM 27915 O O . ASP S 1 319 ? 12.049 32.985 -10.102 1.00 51.87 ? 319 ASP a O 1 +ATOM 27916 C CB . ASP S 1 319 ? 13.092 35.611 -8.542 1.00 50.15 ? 319 ASP a CB 1 +ATOM 27917 C CG . ASP S 1 319 ? 12.692 36.719 -7.578 1.00 60.58 ? 319 ASP a CG 1 +ATOM 27918 O OD1 . ASP S 1 319 ? 11.512 37.136 -7.579 1.00 56.76 ? 319 ASP a OD1 1 +ATOM 27919 O OD2 . ASP S 1 319 ? 13.563 37.153 -6.794 1.00 57.55 ? 319 ASP a OD2 1 +ATOM 27920 N N . ILE S 1 320 ? 14.015 32.525 -9.091 1.00 57.31 ? 320 ILE a N 1 +ATOM 27921 C CA . ILE S 1 320 ? 14.325 31.422 -10.006 1.00 57.44 ? 320 ILE a CA 1 +ATOM 27922 C C . ILE S 1 320 ? 13.334 30.276 -9.817 1.00 49.69 ? 320 ILE a C 1 +ATOM 27923 O O . ILE S 1 320 ? 12.871 29.671 -10.788 1.00 53.22 ? 320 ILE a O 1 +ATOM 27924 C CB . ILE S 1 320 ? 15.780 30.947 -9.811 1.00 55.83 ? 320 ILE a CB 1 +ATOM 27925 C CG1 . ILE S 1 320 ? 16.752 32.125 -9.918 1.00 55.10 ? 320 ILE a CG1 1 +ATOM 27926 C CG2 . ILE S 1 320 ? 16.134 29.841 -10.807 1.00 48.01 ? 320 ILE a CG2 1 +ATOM 27927 C CD1 . ILE S 1 320 ? 16.764 32.785 -11.264 1.00 56.01 ? 320 ILE a CD1 1 +ATOM 27928 N N A ILE S 1 321 ? 13.008 29.954 -8.561 0.40 57.13 ? 321 ILE a N 1 +ATOM 27929 N N B ILE S 1 321 ? 12.994 29.959 -8.562 0.60 57.29 ? 321 ILE a N 1 +ATOM 27930 C CA A ILE S 1 321 ? 11.966 28.958 -8.293 0.40 51.79 ? 321 ILE a CA 1 +ATOM 27931 C CA B ILE S 1 321 ? 11.950 28.967 -8.299 0.60 51.79 ? 321 ILE a CA 1 +ATOM 27932 C C A ILE S 1 321 ? 10.669 29.370 -8.971 0.40 56.92 ? 321 ILE a C 1 +ATOM 27933 C C B ILE S 1 321 ? 10.647 29.380 -8.966 0.60 57.12 ? 321 ILE a C 1 +ATOM 27934 O O A ILE S 1 321 ? 9.954 28.538 -9.544 0.40 52.19 ? 321 ILE a O 1 +ATOM 27935 O O B ILE S 1 321 ? 9.939 28.553 -9.555 0.60 52.30 ? 321 ILE a O 1 +ATOM 27936 C CB A ILE S 1 321 ? 11.760 28.787 -6.774 0.40 51.71 ? 321 ILE a CB 1 +ATOM 27937 C CB B ILE S 1 321 ? 11.752 28.781 -6.783 0.60 51.67 ? 321 ILE a CB 1 +ATOM 27938 C CG1 A ILE S 1 321 ? 12.967 28.131 -6.111 0.40 49.58 ? 321 ILE a CG1 1 +ATOM 27939 C CG1 B ILE S 1 321 ? 12.945 28.076 -6.138 0.60 49.49 ? 321 ILE a CG1 1 +ATOM 27940 C CG2 A ILE S 1 321 ? 10.475 28.005 -6.468 0.40 53.85 ? 321 ILE a CG2 1 +ATOM 27941 C CG2 B ILE S 1 321 ? 10.444 28.034 -6.491 0.60 53.88 ? 321 ILE a CG2 1 +ATOM 27942 C CD1 A ILE S 1 321 ? 12.845 28.087 -4.578 0.40 50.65 ? 321 ILE a CD1 1 +ATOM 27943 C CD1 B ILE S 1 321 ? 12.875 28.105 -4.606 0.60 50.71 ? 321 ILE a CD1 1 +ATOM 27944 N N A ASN S 1 322 ? 10.340 30.664 -8.903 0.40 53.71 ? 322 ASN a N 1 +ATOM 27945 N N B ASN S 1 322 ? 10.306 30.669 -8.876 0.60 53.74 ? 322 ASN a N 1 +ATOM 27946 C CA A ASN S 1 322 ? 9.094 31.146 -9.488 0.40 52.56 ? 322 ASN a CA 1 +ATOM 27947 C CA B ASN S 1 322 ? 9.052 31.141 -9.446 0.60 52.57 ? 322 ASN a CA 1 +ATOM 27948 C C A ASN S 1 322 ? 9.074 30.971 -11.005 0.40 54.39 ? 322 ASN a C 1 +ATOM 27949 C C B ASN S 1 322 ? 9.030 30.959 -10.963 0.60 54.59 ? 322 ASN a C 1 +ATOM 27950 O O A ASN S 1 322 ? 8.009 30.717 -11.584 0.40 49.38 ? 322 ASN a O 1 +ATOM 27951 O O B ASN S 1 322 ? 7.978 30.661 -11.547 0.60 49.32 ? 322 ASN a O 1 +ATOM 27952 C CB A ASN S 1 322 ? 8.874 32.614 -9.119 0.40 50.07 ? 322 ASN a CB 1 +ATOM 27953 C CB B ASN S 1 322 ? 8.836 32.602 -9.067 0.60 49.99 ? 322 ASN a CB 1 +ATOM 27954 C CG A ASN S 1 322 ? 7.431 33.044 -9.307 0.40 55.88 ? 322 ASN a CG 1 +ATOM 27955 C CG B ASN S 1 322 ? 7.418 33.055 -9.301 0.60 56.06 ? 322 ASN a CG 1 +ATOM 27956 O OD1 A ASN S 1 322 ? 6.507 32.321 -8.934 0.40 54.82 ? 322 ASN a OD1 1 +ATOM 27957 O OD1 B ASN S 1 322 ? 6.468 32.338 -8.992 0.60 54.93 ? 322 ASN a OD1 1 +ATOM 27958 N ND2 A ASN S 1 322 ? 7.229 34.211 -9.901 0.40 50.79 ? 322 ASN a ND2 1 +ATOM 27959 N ND2 B ASN S 1 322 ? 7.264 34.251 -9.864 0.60 50.78 ? 322 ASN a ND2 1 +ATOM 27960 N N A ARG S 1 323 ? 10.228 31.106 -11.667 0.40 44.21 ? 323 ARG a N 1 +ATOM 27961 N N B ARG S 1 323 ? 10.184 31.126 -11.616 0.60 43.93 ? 323 ARG a N 1 +ATOM 27962 C CA A ARG S 1 323 ? 10.255 30.884 -13.111 0.40 52.30 ? 323 ARG a CA 1 +ATOM 27963 C CA B ARG S 1 323 ? 10.255 30.889 -13.053 0.60 52.37 ? 323 ARG a CA 1 +ATOM 27964 C C A ARG S 1 323 ? 9.932 29.428 -13.436 0.40 53.54 ? 323 ARG a C 1 +ATOM 27965 C C B ARG S 1 323 ? 9.878 29.448 -13.384 0.60 53.65 ? 323 ARG a C 1 +ATOM 27966 O O A ARG S 1 323 ? 9.185 29.143 -14.379 0.40 50.33 ? 323 ARG a O 1 +ATOM 27967 O O B ARG S 1 323 ? 9.083 29.197 -14.295 0.60 50.43 ? 323 ARG a O 1 +ATOM 27968 C CB A ARG S 1 323 ? 11.617 31.277 -13.699 0.40 50.21 ? 323 ARG a CB 1 +ATOM 27969 C CB B ARG S 1 323 ? 11.656 31.220 -13.579 0.60 50.24 ? 323 ARG a CB 1 +ATOM 27970 C CG A ARG S 1 323 ? 11.993 32.763 -13.545 0.40 47.00 ? 323 ARG a CG 1 +ATOM 27971 C CG B ARG S 1 323 ? 12.022 32.691 -13.499 0.60 46.93 ? 323 ARG a CG 1 +ATOM 27972 C CD A ARG S 1 323 ? 11.001 33.665 -14.236 0.40 49.40 ? 323 ARG a CD 1 +ATOM 27973 C CD B ARG S 1 323 ? 11.005 33.560 -14.207 0.60 49.23 ? 323 ARG a CD 1 +ATOM 27974 N NE A ARG S 1 323 ? 10.881 33.348 -15.654 0.40 53.42 ? 323 ARG a NE 1 +ATOM 27975 N NE B ARG S 1 323 ? 10.968 33.312 -15.644 0.60 53.37 ? 323 ARG a NE 1 +ATOM 27976 C CZ A ARG S 1 323 ? 10.013 33.923 -16.471 0.40 59.64 ? 323 ARG a CZ 1 +ATOM 27977 C CZ B ARG S 1 323 ? 10.106 33.886 -16.471 0.60 59.70 ? 323 ARG a CZ 1 +ATOM 27978 N NH1 A ARG S 1 323 ? 9.175 34.856 -16.043 0.40 55.72 ? 323 ARG a NH1 1 +ATOM 27979 N NH1 B ARG S 1 323 ? 9.201 34.751 -16.034 0.60 55.97 ? 323 ARG a NH1 1 +ATOM 27980 N NH2 A ARG S 1 323 ? 9.983 33.555 -17.746 0.40 54.21 ? 323 ARG a NH2 1 +ATOM 27981 N NH2 B ARG S 1 323 ? 10.148 33.586 -17.765 0.60 54.40 ? 323 ARG a NH2 1 +ATOM 27982 N N A ALA S 1 324 ? 10.466 28.492 -12.648 0.40 52.53 ? 324 ALA a N 1 +ATOM 27983 N N B ALA S 1 324 ? 10.429 28.488 -12.636 0.60 52.64 ? 324 ALA a N 1 +ATOM 27984 C CA A ALA S 1 324 ? 10.134 27.085 -12.848 0.40 50.92 ? 324 ALA a CA 1 +ATOM 27985 C CA B ALA S 1 324 ? 10.092 27.083 -12.857 0.60 51.00 ? 324 ALA a CA 1 +ATOM 27986 C C A ALA S 1 324 ? 8.656 26.820 -12.562 0.40 48.30 ? 324 ALA a C 1 +ATOM 27987 C C B ALA S 1 324 ? 8.616 26.808 -12.574 0.60 48.27 ? 324 ALA a C 1 +ATOM 27988 O O A ALA S 1 324 ? 7.966 26.169 -13.354 0.40 46.81 ? 324 ALA a O 1 +ATOM 27989 O O B ALA S 1 324 ? 7.943 26.125 -13.354 0.60 46.76 ? 324 ALA a O 1 +ATOM 27990 C CB A ALA S 1 324 ? 11.040 26.221 -11.977 0.40 44.45 ? 324 ALA a CB 1 +ATOM 27991 C CB B ALA S 1 324 ? 10.984 26.196 -11.991 0.60 44.40 ? 324 ALA a CB 1 +ATOM 27992 N N A ASN S 1 325 ? 8.143 27.353 -11.453 0.40 46.24 ? 325 ASN a N 1 +ATOM 27993 N N B ASN S 1 325 ? 8.090 27.342 -11.468 0.60 46.17 ? 325 ASN a N 1 +ATOM 27994 C CA A ASN S 1 325 ? 6.720 27.219 -11.159 0.40 49.01 ? 325 ASN a CA 1 +ATOM 27995 C CA B ASN S 1 325 ? 6.672 27.161 -11.168 0.60 48.93 ? 325 ASN a CA 1 +ATOM 27996 C C A ASN S 1 325 ? 5.852 27.727 -12.307 0.40 49.93 ? 325 ASN a C 1 +ATOM 27997 C C B ASN S 1 325 ? 5.786 27.698 -12.288 0.60 49.91 ? 325 ASN a C 1 +ATOM 27998 O O A ASN S 1 325 ? 4.841 27.106 -12.646 0.40 50.19 ? 325 ASN a O 1 +ATOM 27999 O O B ASN S 1 325 ? 4.752 27.100 -12.607 0.60 50.31 ? 325 ASN a O 1 +ATOM 28000 C CB A ASN S 1 325 ? 6.392 27.969 -9.865 0.40 49.74 ? 325 ASN a CB 1 +ATOM 28001 C CB B ASN S 1 325 ? 6.330 27.837 -9.844 0.60 49.78 ? 325 ASN a CB 1 +ATOM 28002 C CG A ASN S 1 325 ? 7.042 27.335 -8.645 0.40 53.81 ? 325 ASN a CG 1 +ATOM 28003 C CG B ASN S 1 325 ? 7.071 27.228 -8.677 0.60 53.93 ? 325 ASN a CG 1 +ATOM 28004 O OD1 A ASN S 1 325 ? 7.600 26.238 -8.716 0.40 51.66 ? 325 ASN a OD1 1 +ATOM 28005 O OD1 B ASN S 1 325 ? 7.616 26.127 -8.775 0.60 51.60 ? 325 ASN a OD1 1 +ATOM 28006 N ND2 A ASN S 1 325 ? 6.941 28.007 -7.515 0.40 53.38 ? 325 ASN a ND2 1 +ATOM 28007 N ND2 B ASN S 1 325 ? 7.082 27.929 -7.562 0.60 53.59 ? 325 ASN a ND2 1 +ATOM 28008 N N A LEU S 1 326 ? 6.227 28.864 -12.910 0.40 51.64 ? 326 LEU a N 1 +ATOM 28009 N N B LEU S 1 326 ? 6.175 28.826 -12.893 0.60 51.69 ? 326 LEU a N 1 +ATOM 28010 C CA A LEU S 1 326 ? 5.467 29.410 -14.033 0.40 52.02 ? 326 LEU a CA 1 +ATOM 28011 C CA B LEU S 1 326 ? 5.427 29.381 -14.021 0.60 52.11 ? 326 LEU a CA 1 +ATOM 28012 C C A LEU S 1 326 ? 5.443 28.445 -15.220 0.40 52.70 ? 326 LEU a C 1 +ATOM 28013 C C B LEU S 1 326 ? 5.413 28.420 -15.207 0.60 52.84 ? 326 LEU a C 1 +ATOM 28014 O O A LEU S 1 326 ? 4.397 28.256 -15.853 0.40 48.77 ? 326 LEU a O 1 +ATOM 28015 O O B LEU S 1 326 ? 4.381 28.255 -15.871 0.60 48.76 ? 326 LEU a O 1 +ATOM 28016 C CB A LEU S 1 326 ? 6.055 30.765 -14.438 0.40 45.23 ? 326 LEU a CB 1 +ATOM 28017 C CB B LEU S 1 326 ? 6.025 30.727 -14.432 0.60 44.98 ? 326 LEU a CB 1 +ATOM 28018 C CG A LEU S 1 326 ? 5.696 31.962 -13.538 0.40 53.97 ? 326 LEU a CG 1 +ATOM 28019 C CG B LEU S 1 326 ? 5.720 31.937 -13.541 0.60 54.11 ? 326 LEU a CG 1 +ATOM 28020 C CD1 A LEU S 1 326 ? 6.642 33.127 -13.775 0.40 52.12 ? 326 LEU a CD1 1 +ATOM 28021 C CD1 B LEU S 1 326 ? 6.696 33.072 -13.807 0.60 52.15 ? 326 LEU a CD1 1 +ATOM 28022 C CD2 A LEU S 1 326 ? 4.236 32.405 -13.729 0.40 49.42 ? 326 LEU a CD2 1 +ATOM 28023 C CD2 B LEU S 1 326 ? 4.290 32.396 -13.756 0.60 49.41 ? 326 LEU a CD2 1 +ATOM 28024 N N A GLY S 1 327 ? 6.583 27.819 -15.530 0.40 51.65 ? 327 GLY a N 1 +ATOM 28025 N N B GLY S 1 327 ? 6.556 27.796 -15.501 0.60 51.73 ? 327 GLY a N 1 +ATOM 28026 C CA A GLY S 1 327 ? 6.613 26.824 -16.597 0.40 54.57 ? 327 GLY a CA 1 +ATOM 28027 C CA B GLY S 1 327 ? 6.590 26.785 -16.550 0.60 54.80 ? 327 GLY a CA 1 +ATOM 28028 C C A GLY S 1 327 ? 5.645 25.674 -16.361 0.40 52.58 ? 327 GLY a C 1 +ATOM 28029 C C B GLY S 1 327 ? 5.607 25.655 -16.298 0.60 52.64 ? 327 GLY a C 1 +ATOM 28030 O O A GLY S 1 327 ? 4.958 25.227 -17.286 0.40 54.79 ? 327 GLY a O 1 +ATOM 28031 O O B GLY S 1 327 ? 4.860 25.254 -17.193 0.60 55.00 ? 327 GLY a O 1 +ATOM 28032 N N A MET S 1 328 ? 5.552 25.203 -15.117 0.40 49.92 ? 328 MET a N 1 +ATOM 28033 N N B MET S 1 328 ? 5.573 25.146 -15.062 0.60 50.02 ? 328 MET a N 1 +ATOM 28034 C CA A MET S 1 328 ? 4.594 24.150 -14.795 0.40 45.41 ? 328 MET a CA 1 +ATOM 28035 C CA B MET S 1 328 ? 4.599 24.115 -14.716 0.60 45.24 ? 328 MET a CA 1 +ATOM 28036 C C A MET S 1 328 ? 3.168 24.663 -14.889 0.40 52.09 ? 328 MET a C 1 +ATOM 28037 C C B MET S 1 328 ? 3.179 24.644 -14.827 0.60 52.20 ? 328 MET a C 1 +ATOM 28038 O O A MET S 1 328 ? 2.275 23.970 -15.397 0.40 51.84 ? 328 MET a O 1 +ATOM 28039 O O B MET S 1 328 ? 2.276 23.940 -15.297 0.60 52.07 ? 328 MET a O 1 +ATOM 28040 C CB A MET S 1 328 ? 4.842 23.623 -13.390 0.40 44.13 ? 328 MET a CB 1 +ATOM 28041 C CB B MET S 1 328 ? 4.851 23.615 -13.304 0.60 44.04 ? 328 MET a CB 1 +ATOM 28042 C CG A MET S 1 328 ? 6.264 23.254 -13.079 0.40 49.20 ? 328 MET a CG 1 +ATOM 28043 C CG B MET S 1 328 ? 6.276 23.228 -13.035 0.60 49.34 ? 328 MET a CG 1 +ATOM 28044 S SD A MET S 1 328 ? 6.418 23.017 -11.284 0.40 52.96 ? 328 MET a SD 1 +ATOM 28045 S SD B MET S 1 328 ? 6.503 23.028 -11.256 0.60 53.13 ? 328 MET a SD 1 +ATOM 28046 C CE A MET S 1 328 ? 8.165 23.359 -11.074 0.40 50.66 ? 328 MET a CE 1 +ATOM 28047 C CE B MET S 1 328 ? 8.230 23.493 -11.091 0.60 50.60 ? 328 MET a CE 1 +ATOM 28048 N N A GLU S 1 329 ? 2.939 25.875 -14.393 0.40 44.72 ? 329 GLU a N 1 +ATOM 28049 N N B GLU S 1 329 ? 2.965 25.888 -14.404 0.60 44.56 ? 329 GLU a N 1 +ATOM 28050 C CA A GLU S 1 329 ? 1.591 26.427 -14.355 0.40 50.68 ? 329 GLU a CA 1 +ATOM 28051 C CA B GLU S 1 329 ? 1.614 26.433 -14.357 0.60 50.75 ? 329 GLU a CA 1 +ATOM 28052 C C A GLU S 1 329 ? 1.031 26.601 -15.757 0.40 50.80 ? 329 GLU a C 1 +ATOM 28053 C C B GLU S 1 329 ? 1.035 26.602 -15.758 0.60 50.88 ? 329 GLU a C 1 +ATOM 28054 O O A GLU S 1 329 ? -0.098 26.185 -16.035 0.40 50.39 ? 329 GLU a O 1 +ATOM 28055 O O B GLU S 1 329 ? -0.118 26.231 -16.012 0.60 50.51 ? 329 GLU a O 1 +ATOM 28056 C CB A GLU S 1 329 ? 1.595 27.755 -13.588 0.40 50.66 ? 329 GLU a CB 1 +ATOM 28057 C CB B GLU S 1 329 ? 1.626 27.763 -13.599 0.60 50.63 ? 329 GLU a CB 1 +ATOM 28058 C CG A GLU S 1 329 ? 0.445 28.709 -13.895 0.40 56.70 ? 329 GLU a CG 1 +ATOM 28059 C CG B GLU S 1 329 ? 0.402 28.643 -13.823 0.60 56.79 ? 329 GLU a CG 1 +ATOM 28060 C CD A GLU S 1 329 ? 0.631 30.082 -13.234 0.40 58.98 ? 329 GLU a CD 1 +ATOM 28061 C CD B GLU S 1 329 ? 0.549 30.029 -13.197 0.60 59.06 ? 329 GLU a CD 1 +ATOM 28062 O OE1 A GLU S 1 329 ? 1.149 30.158 -12.098 0.40 58.05 ? 329 GLU a OE1 1 +ATOM 28063 O OE1 B GLU S 1 329 ? 0.946 30.129 -12.019 0.60 58.73 ? 329 GLU a OE1 1 +ATOM 28064 O OE2 A GLU S 1 329 ? 0.274 31.097 -13.855 0.40 62.43 ? 329 GLU a OE2 1 +ATOM 28065 O OE2 B GLU S 1 329 ? 0.278 31.026 -13.891 0.60 62.52 ? 329 GLU a OE2 1 +ATOM 28066 N N A VAL S 1 330 ? 1.812 27.198 -16.669 0.40 45.89 ? 330 VAL a N 1 +ATOM 28067 N N B VAL S 1 330 ? 1.823 27.144 -16.691 0.60 45.76 ? 330 VAL a N 1 +ATOM 28068 C CA A VAL S 1 330 ? 1.249 27.514 -17.977 0.40 51.82 ? 330 VAL a CA 1 +ATOM 28069 C CA B VAL S 1 330 ? 1.261 27.450 -18.004 0.60 51.80 ? 330 VAL a CA 1 +ATOM 28070 C C A VAL S 1 330 ? 1.083 26.269 -18.840 0.40 52.47 ? 330 VAL a C 1 +ATOM 28071 C C B VAL S 1 330 ? 1.055 26.200 -18.845 0.60 52.64 ? 330 VAL a C 1 +ATOM 28072 O O A VAL S 1 330 ? 0.265 26.283 -19.764 0.40 54.59 ? 330 VAL a O 1 +ATOM 28073 O O B VAL S 1 330 ? 0.222 26.217 -19.761 0.60 54.87 ? 330 VAL a O 1 +ATOM 28074 C CB A VAL S 1 330 ? 2.071 28.592 -18.729 0.40 51.10 ? 330 VAL a CB 1 +ATOM 28075 C CB B VAL S 1 330 ? 2.116 28.483 -18.775 0.60 50.99 ? 330 VAL a CB 1 +ATOM 28076 C CG1 A VAL S 1 330 ? 2.156 29.908 -17.892 0.40 46.12 ? 330 VAL a CG1 1 +ATOM 28077 C CG1 B VAL S 1 330 ? 2.227 29.800 -17.978 0.60 46.25 ? 330 VAL a CG1 1 +ATOM 28078 C CG2 A VAL S 1 330 ? 3.451 28.076 -19.161 0.40 41.29 ? 330 VAL a CG2 1 +ATOM 28079 C CG2 B VAL S 1 330 ? 3.491 27.920 -19.144 0.60 40.87 ? 330 VAL a CG2 1 +ATOM 28080 N N A MET S 1 331 ? 1.801 25.174 -18.548 0.40 48.90 ? 331 MET a N 1 +ATOM 28081 N N B MET S 1 331 ? 1.768 25.107 -18.556 0.60 48.94 ? 331 MET a N 1 +ATOM 28082 C CA A MET S 1 331 ? 1.703 23.972 -19.377 0.40 45.82 ? 331 MET a CA 1 +ATOM 28083 C CA B MET S 1 331 ? 1.656 23.899 -19.369 0.60 45.72 ? 331 MET a CA 1 +ATOM 28084 C C A MET S 1 331 ? 0.706 22.941 -18.855 0.40 50.51 ? 331 MET a C 1 +ATOM 28085 C C B MET S 1 331 ? 0.685 22.863 -18.816 0.60 50.48 ? 331 MET a C 1 +ATOM 28086 O O A MET S 1 331 ? 0.182 22.147 -19.646 0.40 53.24 ? 331 MET a O 1 +ATOM 28087 O O B MET S 1 331 ? 0.171 22.051 -19.595 0.60 53.34 ? 331 MET a O 1 +ATOM 28088 C CB A MET S 1 331 ? 3.074 23.303 -19.516 0.40 48.29 ? 331 MET a CB 1 +ATOM 28089 C CB B MET S 1 331 ? 3.026 23.232 -19.546 0.60 48.27 ? 331 MET a CB 1 +ATOM 28090 C CG A MET S 1 331 ? 4.019 24.013 -20.494 0.40 47.84 ? 331 MET a CG 1 +ATOM 28091 C CG B MET S 1 331 ? 3.978 23.969 -20.493 0.60 47.94 ? 331 MET a CG 1 +ATOM 28092 S SD A MET S 1 331 ? 3.255 24.407 -22.088 0.40 52.76 ? 331 MET a SD 1 +ATOM 28093 S SD B MET S 1 331 ? 3.286 24.296 -22.133 0.60 52.80 ? 331 MET a SD 1 +ATOM 28094 C CE A MET S 1 331 ? 2.968 22.820 -22.845 0.40 47.82 ? 331 MET a CE 1 +ATOM 28095 C CE B MET S 1 331 ? 2.851 22.657 -22.722 0.60 48.64 ? 331 MET a CE 1 +ATOM 28096 N N A HIS S 1 332 ? 0.426 22.913 -17.558 0.40 46.97 ? 332 HIS a N 1 +ATOM 28097 N N B HIS S 1 332 ? 0.418 22.852 -17.515 0.60 47.03 ? 332 HIS a N 1 +ATOM 28098 C CA A HIS S 1 332 ? -0.407 21.841 -17.031 0.40 49.36 ? 332 HIS a CA 1 +ATOM 28099 C CA B HIS S 1 332 ? -0.409 21.788 -16.962 0.60 49.45 ? 332 HIS a CA 1 +ATOM 28100 C C A HIS S 1 332 ? -1.833 21.985 -17.541 0.40 45.13 ? 332 HIS a C 1 +ATOM 28101 C C B HIS S 1 332 ? -1.838 21.928 -17.465 0.60 45.17 ? 332 HIS a C 1 +ATOM 28102 O O A HIS S 1 332 ? -2.363 23.095 -17.636 0.40 46.63 ? 332 HIS a O 1 +ATOM 28103 O O B HIS S 1 332 ? -2.370 23.037 -17.558 0.60 46.71 ? 332 HIS a O 1 +ATOM 28104 C CB A HIS S 1 332 ? -0.379 21.833 -15.496 0.40 45.65 ? 332 HIS a CB 1 +ATOM 28105 C CB B HIS S 1 332 ? -0.366 21.798 -15.424 0.60 45.48 ? 332 HIS a CB 1 +ATOM 28106 C CG A HIS S 1 332 ? -1.445 22.669 -14.851 0.40 50.88 ? 332 HIS a CG 1 +ATOM 28107 C CG B HIS S 1 332 ? -1.407 22.661 -14.777 0.60 50.93 ? 332 HIS a CG 1 +ATOM 28108 N ND1 A HIS S 1 332 ? -1.435 24.049 -14.883 0.40 51.60 ? 332 HIS a ND1 1 +ATOM 28109 N ND1 B HIS S 1 332 ? -1.365 24.041 -14.814 0.60 51.87 ? 332 HIS a ND1 1 +ATOM 28110 C CD2 A HIS S 1 332 ? -2.551 22.317 -14.148 0.40 49.55 ? 332 HIS a CD2 1 +ATOM 28111 C CD2 B HIS S 1 332 ? -2.513 22.340 -14.060 0.60 49.65 ? 332 HIS a CD2 1 +ATOM 28112 C CE1 A HIS S 1 332 ? -2.484 24.511 -14.224 0.40 47.89 ? 332 HIS a CE1 1 +ATOM 28113 C CE1 B HIS S 1 332 ? -2.398 24.530 -14.149 0.60 47.72 ? 332 HIS a CE1 1 +ATOM 28114 N NE2 A HIS S 1 332 ? -3.179 23.480 -13.770 0.40 47.07 ? 332 HIS a NE2 1 +ATOM 28115 N NE2 B HIS S 1 332 ? -3.114 23.521 -13.688 0.60 46.85 ? 332 HIS a NE2 1 +ATOM 28116 N N A GLU S 1 333 ? -2.452 20.851 -17.862 0.40 46.20 ? 333 GLU a N 1 +ATOM 28117 N N B GLU S 1 333 ? -2.451 20.791 -17.799 0.60 46.18 ? 333 GLU a N 1 +ATOM 28118 C CA A GLU S 1 333 ? -3.858 20.806 -18.250 0.40 45.53 ? 333 GLU a CA 1 +ATOM 28119 C CA B GLU S 1 333 ? -3.845 20.743 -18.227 0.60 45.38 ? 333 GLU a CA 1 +ATOM 28120 C C A GLU S 1 333 ? -4.123 21.826 -19.356 0.40 51.20 ? 333 GLU a C 1 +ATOM 28121 C C B GLU S 1 333 ? -4.089 21.787 -19.312 0.60 51.33 ? 333 GLU a C 1 +ATOM 28122 O O A GLU S 1 333 ? -4.999 22.683 -19.269 0.40 45.93 ? 333 GLU a O 1 +ATOM 28123 O O B GLU S 1 333 ? -4.922 22.689 -19.190 0.60 45.77 ? 333 GLU a O 1 +ATOM 28124 C CB A GLU S 1 333 ? -4.754 21.030 -17.030 0.40 48.70 ? 333 GLU a CB 1 +ATOM 28125 C CB B GLU S 1 333 ? -4.778 20.942 -17.035 0.60 48.76 ? 333 GLU a CB 1 +ATOM 28126 C CG A GLU S 1 333 ? -4.758 19.831 -16.066 0.40 46.91 ? 333 GLU a CG 1 +ATOM 28127 C CG B GLU S 1 333 ? -4.653 19.842 -15.989 0.60 46.69 ? 333 GLU a CG 1 +ATOM 28128 C CD A GLU S 1 333 ? -5.370 20.149 -14.714 0.40 52.65 ? 333 GLU a CD 1 +ATOM 28129 C CD B GLU S 1 333 ? -5.241 20.235 -14.655 0.60 52.97 ? 333 GLU a CD 1 +ATOM 28130 O OE1 A GLU S 1 333 ? -5.885 21.283 -14.507 0.40 53.74 ? 333 GLU a OE1 1 +ATOM 28131 O OE1 B GLU S 1 333 ? -5.697 21.393 -14.490 0.60 53.55 ? 333 GLU a OE1 1 +ATOM 28132 O OE2 A GLU S 1 333 ? -5.319 19.263 -13.854 0.40 51.44 ? 333 GLU a OE2 1 +ATOM 28133 O OE2 B GLU S 1 333 ? -5.239 19.376 -13.765 0.60 51.57 ? 333 GLU a OE2 1 +ATOM 28134 N N A ARG S 1 334 ? -3.336 21.676 -20.425 0.40 46.05 ? 334 ARG a N 1 +ATOM 28135 N N B ARG S 1 334 ? -3.321 21.626 -20.391 0.60 46.04 ? 334 ARG a N 1 +ATOM 28136 C CA A ARG S 1 334 ? -3.108 22.714 -21.415 0.40 48.14 ? 334 ARG a CA 1 +ATOM 28137 C CA B ARG S 1 334 ? -3.107 22.676 -21.370 0.60 48.08 ? 334 ARG a CA 1 +ATOM 28138 C C A ARG S 1 334 ? -4.360 23.102 -22.201 0.40 50.18 ? 334 ARG a C 1 +ATOM 28139 C C B ARG S 1 334 ? -4.377 23.075 -22.114 0.60 50.31 ? 334 ARG a C 1 +ATOM 28140 O O A ARG S 1 334 ? -4.359 24.160 -22.837 0.40 50.21 ? 334 ARG a O 1 +ATOM 28141 O O B ARG S 1 334 ? -4.407 24.151 -22.713 0.60 50.20 ? 334 ARG a O 1 +ATOM 28142 C CB A ARG S 1 334 ? -2.013 22.236 -22.371 0.40 46.88 ? 334 ARG a CB 1 +ATOM 28143 C CB B ARG S 1 334 ? -2.038 22.205 -22.356 0.60 46.81 ? 334 ARG a CB 1 +ATOM 28144 C CG A ARG S 1 334 ? -2.483 21.104 -23.313 0.40 47.82 ? 334 ARG a CG 1 +ATOM 28145 C CG B ARG S 1 334 ? -2.536 21.070 -23.253 0.60 47.80 ? 334 ARG a CG 1 +ATOM 28146 C CD A ARG S 1 334 ? -1.327 20.245 -23.828 0.40 40.91 ? 334 ARG a CD 1 +ATOM 28147 C CD B ARG S 1 334 ? -1.413 20.233 -23.847 0.60 40.77 ? 334 ARG a CD 1 +ATOM 28148 N NE A ARG S 1 334 ? -1.885 19.092 -24.524 0.40 50.68 ? 334 ARG a NE 1 +ATOM 28149 N NE B ARG S 1 334 ? -2.010 19.134 -24.593 0.60 51.23 ? 334 ARG a NE 1 +ATOM 28150 C CZ A ARG S 1 334 ? -2.432 18.047 -23.922 0.40 52.16 ? 334 ARG a CZ 1 +ATOM 28151 C CZ B ARG S 1 334 ? -2.518 18.045 -24.036 0.60 52.35 ? 334 ARG a CZ 1 +ATOM 28152 N NH1 A ARG S 1 334 ? -2.322 17.871 -22.616 0.40 50.79 ? 334 ARG a NH1 1 +ATOM 28153 N NH1 B ARG S 1 334 ? -2.362 17.793 -22.748 0.60 50.75 ? 334 ARG a NH1 1 +ATOM 28154 N NH2 A ARG S 1 334 ? -3.129 17.175 -24.645 0.40 48.26 ? 334 ARG a NH2 1 +ATOM 28155 N NH2 B ARG S 1 334 ? -3.222 17.202 -24.784 0.60 47.90 ? 334 ARG a NH2 1 +ATOM 28156 N N A ASN S 1 335 ? -5.414 22.284 -22.179 0.40 48.20 ? 335 ASN a N 1 +ATOM 28157 N N B ASN S 1 335 ? -5.416 22.240 -22.107 0.60 48.31 ? 335 ASN a N 1 +ATOM 28158 C CA A ASN S 1 335 ? -6.643 22.560 -22.917 0.40 49.06 ? 335 ASN a CA 1 +ATOM 28159 C CA B ASN S 1 335 ? -6.657 22.544 -22.810 0.60 49.06 ? 335 ASN a CA 1 +ATOM 28160 C C A ASN S 1 335 ? -7.820 22.873 -22.003 0.40 54.44 ? 335 ASN a C 1 +ATOM 28161 C C B ASN S 1 335 ? -7.822 22.823 -21.867 0.60 54.76 ? 335 ASN a C 1 +ATOM 28162 O O A ASN S 1 335 ? -8.949 23.004 -22.486 0.40 52.60 ? 335 ASN a O 1 +ATOM 28163 O O B ASN S 1 335 ? -8.957 22.964 -22.334 0.60 53.22 ? 335 ASN a O 1 +ATOM 28164 C CB A ASN S 1 335 ? -7.019 21.370 -23.820 0.40 48.18 ? 335 ASN a CB 1 +ATOM 28165 C CB B ASN S 1 335 ? -7.039 21.397 -23.761 0.60 48.22 ? 335 ASN a CB 1 +ATOM 28166 C CG A ASN S 1 335 ? -5.977 21.083 -24.885 0.40 50.66 ? 335 ASN a CG 1 +ATOM 28167 C CG B ASN S 1 335 ? -5.954 21.082 -24.778 0.60 50.87 ? 335 ASN a CG 1 +ATOM 28168 O OD1 A ASN S 1 335 ? -5.535 21.990 -25.594 0.40 51.86 ? 335 ASN a OD1 1 +ATOM 28169 O OD1 B ASN S 1 335 ? -5.367 21.974 -25.393 0.60 52.33 ? 335 ASN a OD1 1 +ATOM 28170 N ND2 A ASN S 1 335 ? -5.569 19.818 -24.994 0.40 47.54 ? 335 ASN a ND2 1 +ATOM 28171 N ND2 B ASN S 1 335 ? -5.676 19.804 -24.949 0.60 47.47 ? 335 ASN a ND2 1 +ATOM 28172 N N A ALA S 1 336 ? -7.587 23.010 -20.699 0.40 52.25 ? 336 ALA a N 1 +ATOM 28173 N N B ALA S 1 336 ? -7.577 22.931 -20.558 0.60 52.05 ? 336 ALA a N 1 +ATOM 28174 C CA A ALA S 1 336 ? -8.672 23.017 -19.728 0.40 51.45 ? 336 ALA a CA 1 +ATOM 28175 C CA B ALA S 1 336 ? -8.658 22.955 -19.578 0.60 51.47 ? 336 ALA a CA 1 +ATOM 28176 C C A ALA S 1 336 ? -9.061 24.409 -19.237 0.40 58.09 ? 336 ALA a C 1 +ATOM 28177 C C B ALA S 1 336 ? -9.043 24.354 -19.104 0.60 58.49 ? 336 ALA a C 1 +ATOM 28178 O O A ALA S 1 336 ? -10.136 24.557 -18.640 0.40 56.57 ? 336 ALA a O 1 +ATOM 28179 O O B ALA S 1 336 ? -10.106 24.508 -18.489 0.60 56.93 ? 336 ALA a O 1 +ATOM 28180 C CB A ALA S 1 336 ? -8.295 22.142 -18.524 0.40 50.24 ? 336 ALA a CB 1 +ATOM 28181 C CB B ALA S 1 336 ? -8.282 22.097 -18.359 0.60 49.87 ? 336 ALA a CB 1 +ATOM 28182 N N A HIS S 1 337 ? -8.229 25.426 -19.448 0.40 47.35 ? 337 HIS a N 1 +ATOM 28183 N N B HIS S 1 337 ? -8.226 25.372 -19.361 0.60 47.20 ? 337 HIS a N 1 +ATOM 28184 C CA A HIS S 1 337 ? -8.501 26.763 -18.927 0.40 50.43 ? 337 HIS a CA 1 +ATOM 28185 C CA B HIS S 1 337 ? -8.501 26.721 -18.875 0.60 50.31 ? 337 HIS a CA 1 +ATOM 28186 C C A HIS S 1 337 ? -8.931 27.687 -20.063 0.40 50.50 ? 337 HIS a C 1 +ATOM 28187 C C B HIS S 1 337 ? -8.928 27.611 -20.034 0.60 50.50 ? 337 HIS a C 1 +ATOM 28188 O O A HIS S 1 337 ? -8.248 27.781 -21.085 0.40 54.40 ? 337 HIS a O 1 +ATOM 28189 O O B HIS S 1 337 ? -8.242 27.677 -21.060 0.60 54.47 ? 337 HIS a O 1 +ATOM 28190 C CB A HIS S 1 337 ? -7.276 27.332 -18.199 0.40 42.28 ? 337 HIS a CB 1 +ATOM 28191 C CB B HIS S 1 337 ? -7.276 27.303 -18.173 0.60 42.08 ? 337 HIS a CB 1 +ATOM 28192 C CG A HIS S 1 337 ? -6.636 26.358 -17.257 0.40 52.56 ? 337 HIS a CG 1 +ATOM 28193 C CG B HIS S 1 337 ? -6.592 26.321 -17.275 0.60 52.72 ? 337 HIS a CG 1 +ATOM 28194 N ND1 A HIS S 1 337 ? -5.693 25.435 -17.666 0.40 51.43 ? 337 HIS a ND1 1 +ATOM 28195 N ND1 B HIS S 1 337 ? -5.596 25.477 -17.718 0.60 51.54 ? 337 HIS a ND1 1 +ATOM 28196 C CD2 A HIS S 1 337 ? -6.837 26.130 -15.935 0.40 48.43 ? 337 HIS a CD2 1 +ATOM 28197 C CD2 B HIS S 1 337 ? -6.792 26.017 -15.970 0.60 48.41 ? 337 HIS a CD2 1 +ATOM 28198 C CE1 A HIS S 1 337 ? -5.322 24.702 -16.630 0.40 50.92 ? 337 HIS a CE1 1 +ATOM 28199 C CE1 B HIS S 1 337 ? -5.193 24.713 -16.718 0.60 50.91 ? 337 HIS a CE1 1 +ATOM 28200 N NE2 A HIS S 1 337 ? -6.008 25.097 -15.571 0.40 50.61 ? 337 HIS a NE2 1 +ATOM 28201 N NE2 B HIS S 1 337 ? -5.908 25.015 -15.648 0.60 50.79 ? 337 HIS a NE2 1 +ATOM 28202 N N A ASN S 1 338 ? -10.063 28.369 -19.876 0.40 55.59 ? 338 ASN a N 1 +ATOM 28203 N N B ASN S 1 338 ? -10.075 28.271 -19.871 0.60 55.59 ? 338 ASN a N 1 +ATOM 28204 C CA A ASN S 1 338 ? -10.533 29.384 -20.816 0.40 56.16 ? 338 ASN a CA 1 +ATOM 28205 C CA B ASN S 1 338 ? -10.545 29.289 -20.805 0.60 56.49 ? 338 ASN a CA 1 +ATOM 28206 C C A ASN S 1 338 ? -10.289 30.809 -20.342 0.40 50.45 ? 338 ASN a C 1 +ATOM 28207 C C B ASN S 1 338 ? -10.274 30.705 -20.325 0.60 50.17 ? 338 ASN a C 1 +ATOM 28208 O O A ASN S 1 338 ? -10.270 31.729 -21.170 0.40 53.85 ? 338 ASN a O 1 +ATOM 28209 O O B ASN S 1 338 ? -10.235 31.626 -21.146 0.60 54.15 ? 338 ASN a O 1 +ATOM 28210 C CB A ASN S 1 338 ? -12.033 29.202 -21.082 0.40 50.46 ? 338 ASN a CB 1 +ATOM 28211 C CB B ASN S 1 338 ? -12.048 29.116 -21.056 0.60 50.46 ? 338 ASN a CB 1 +ATOM 28212 C CG A ASN S 1 338 ? -12.338 27.893 -21.766 0.40 56.91 ? 338 ASN a CG 1 +ATOM 28213 C CG B ASN S 1 338 ? -12.356 27.808 -21.738 0.60 56.91 ? 338 ASN a CG 1 +ATOM 28214 O OD1 A ASN S 1 338 ? -11.463 27.304 -22.388 0.40 52.09 ? 338 ASN a OD1 1 +ATOM 28215 O OD1 B ASN S 1 338 ? -11.455 27.180 -22.280 0.60 52.35 ? 338 ASN a OD1 1 +ATOM 28216 N ND2 A ASN S 1 338 ? -13.585 27.448 -21.686 0.40 48.70 ? 338 ASN a ND2 1 +ATOM 28217 N ND2 B ASN S 1 338 ? -13.621 27.403 -21.745 0.60 48.46 ? 338 ASN a ND2 1 +ATOM 28218 N N A PHE S 1 339 ? -10.117 31.013 -19.044 0.40 53.33 ? 339 PHE a N 1 +ATOM 28219 N N B PHE S 1 339 ? -10.066 30.896 -19.031 0.60 53.30 ? 339 PHE a N 1 +ATOM 28220 C CA A PHE S 1 339 ? -10.014 32.327 -18.437 0.40 55.52 ? 339 PHE a CA 1 +ATOM 28221 C CA B PHE S 1 339 ? -9.940 32.211 -18.433 0.60 55.28 ? 339 PHE a CA 1 +ATOM 28222 C C A PHE S 1 339 ? -8.660 32.450 -17.757 0.40 54.69 ? 339 PHE a C 1 +ATOM 28223 C C B PHE S 1 339 ? -8.571 32.352 -17.782 0.60 54.66 ? 339 PHE a C 1 +ATOM 28224 O O A PHE S 1 339 ? -8.013 31.437 -17.471 0.40 54.59 ? 339 PHE a O 1 +ATOM 28225 O O B PHE S 1 339 ? -7.893 31.352 -17.535 0.60 54.72 ? 339 PHE a O 1 +ATOM 28226 C CB A PHE S 1 339 ? -11.191 32.531 -17.469 0.40 50.79 ? 339 PHE a CB 1 +ATOM 28227 C CB B PHE S 1 339 ? -11.105 32.416 -17.455 0.60 50.44 ? 339 PHE a CB 1 +ATOM 28228 C CG A PHE S 1 339 ? -12.511 32.221 -18.115 0.40 54.91 ? 339 PHE a CG 1 +ATOM 28229 C CG B PHE S 1 339 ? -12.438 32.147 -18.099 0.60 54.84 ? 339 PHE a CG 1 +ATOM 28230 C CD1 A PHE S 1 339 ? -12.921 32.941 -19.241 0.40 58.56 ? 339 PHE a CD1 1 +ATOM 28231 C CD1 B PHE S 1 339 ? -12.814 32.846 -19.248 0.60 59.02 ? 339 PHE a CD1 1 +ATOM 28232 C CD2 A PHE S 1 339 ? -13.301 31.187 -17.666 0.40 54.23 ? 339 PHE a CD2 1 +ATOM 28233 C CD2 B PHE S 1 339 ? -13.280 31.163 -17.620 0.60 54.24 ? 339 PHE a CD2 1 +ATOM 28234 C CE1 A PHE S 1 339 ? -14.112 32.633 -19.898 0.40 55.59 ? 339 PHE a CE1 1 +ATOM 28235 C CE1 B PHE S 1 339 ? -14.019 32.578 -19.891 0.60 55.67 ? 339 PHE a CE1 1 +ATOM 28236 C CE2 A PHE S 1 339 ? -14.504 30.878 -18.309 0.40 55.75 ? 339 PHE a CE2 1 +ATOM 28237 C CE2 B PHE S 1 339 ? -14.495 30.895 -18.254 0.60 55.87 ? 339 PHE a CE2 1 +ATOM 28238 C CZ A PHE S 1 339 ? -14.903 31.597 -19.433 0.40 57.15 ? 339 PHE a CZ 1 +ATOM 28239 C CZ B PHE S 1 339 ? -14.860 31.599 -19.389 0.60 57.26 ? 339 PHE a CZ 1 +ATOM 28240 N N A PRO S 1 340 ? -8.176 33.674 -17.525 0.40 52.62 ? 340 PRO a N 1 +ATOM 28241 N N B PRO S 1 340 ? -8.097 33.583 -17.556 0.60 52.68 ? 340 PRO a N 1 +ATOM 28242 C CA A PRO S 1 340 ? -6.728 33.860 -17.288 0.40 54.01 ? 340 PRO a CA 1 +ATOM 28243 C CA B PRO S 1 340 ? -6.655 33.771 -17.301 0.60 53.98 ? 340 PRO a CA 1 +ATOM 28244 C C A PRO S 1 340 ? -6.202 33.372 -15.936 0.40 56.64 ? 340 PRO a C 1 +ATOM 28245 C C B PRO S 1 340 ? -6.160 33.269 -15.945 0.60 56.76 ? 340 PRO a C 1 +ATOM 28246 O O A PRO S 1 340 ? -4.977 33.246 -15.794 0.40 56.13 ? 340 PRO a O 1 +ATOM 28247 O O B PRO S 1 340 ? -4.944 33.077 -15.798 0.60 55.87 ? 340 PRO a O 1 +ATOM 28248 C CB A PRO S 1 340 ? -6.545 35.379 -17.423 0.40 51.35 ? 340 PRO a CB 1 +ATOM 28249 C CB B PRO S 1 340 ? -6.469 35.289 -17.429 0.60 51.16 ? 340 PRO a CB 1 +ATOM 28250 C CG A PRO S 1 340 ? -7.898 35.940 -17.141 0.40 55.05 ? 340 PRO a CG 1 +ATOM 28251 C CG B PRO S 1 340 ? -7.820 35.852 -17.172 0.60 55.13 ? 340 PRO a CG 1 +ATOM 28252 C CD A PRO S 1 340 ? -8.881 34.957 -17.688 0.40 51.42 ? 340 PRO a CD 1 +ATOM 28253 C CD B PRO S 1 340 ? -8.797 34.868 -17.724 0.60 51.28 ? 340 PRO a CD 1 +ATOM 28254 N N A LEU S 1 341 ? -7.046 33.110 -14.942 0.40 47.76 ? 341 LEU a N 1 +ATOM 28255 N N B LEU S 1 341 ? -7.028 33.053 -14.957 0.60 47.56 ? 341 LEU a N 1 +ATOM 28256 C CA A LEU S 1 341 ? -6.570 32.727 -13.611 0.40 51.45 ? 341 LEU a CA 1 +ATOM 28257 C CA B LEU S 1 341 ? -6.587 32.681 -13.613 0.60 51.33 ? 341 LEU a CA 1 +ATOM 28258 C C A LEU S 1 341 ? -7.039 31.321 -13.292 0.40 51.64 ? 341 LEU a C 1 +ATOM 28259 C C B LEU S 1 341 ? -7.052 31.274 -13.277 0.60 51.71 ? 341 LEU a C 1 +ATOM 28260 O O A LEU S 1 341 ? -8.218 31.003 -13.477 0.40 54.35 ? 341 LEU a O 1 +ATOM 28261 O O B LEU S 1 341 ? -8.241 30.960 -13.414 0.60 54.57 ? 341 LEU a O 1 +ATOM 28262 C CB A LEU S 1 341 ? -7.061 33.686 -12.521 0.40 53.75 ? 341 LEU a CB 1 +ATOM 28263 C CB B LEU S 1 341 ? -7.106 33.663 -12.559 0.60 53.71 ? 341 LEU a CB 1 +ATOM 28264 C CG A LEU S 1 341 ? -6.779 35.183 -12.712 0.40 60.37 ? 341 LEU a CG 1 +ATOM 28265 C CG B LEU S 1 341 ? -6.677 35.133 -12.692 0.60 60.56 ? 341 LEU a CG 1 +ATOM 28266 C CD1 A LEU S 1 341 ? -7.451 35.975 -11.597 0.40 60.64 ? 341 LEU a CD1 1 +ATOM 28267 C CD1 B LEU S 1 341 ? -7.349 35.959 -11.610 0.60 60.69 ? 341 LEU a CD1 1 +ATOM 28268 C CD2 A LEU S 1 341 ? -5.274 35.471 -12.773 0.40 58.27 ? 341 LEU a CD2 1 +ATOM 28269 C CD2 B LEU S 1 341 ? -5.153 35.301 -12.642 0.60 58.63 ? 341 LEU a CD2 1 +ATOM 28270 N N A ASP S 1 342 ? -6.105 30.484 -12.829 0.40 52.60 ? 342 ASP a N 1 +ATOM 28271 N N B ASP S 1 342 ? -6.107 30.437 -12.829 0.60 52.63 ? 342 ASP a N 1 +ATOM 28272 C CA A ASP S 1 342 ? -6.382 29.116 -12.378 0.40 50.82 ? 342 ASP a CA 1 +ATOM 28273 C CA B ASP S 1 342 ? -6.364 29.046 -12.440 0.60 50.68 ? 342 ASP a CA 1 +ATOM 28274 C C A ASP S 1 342 ? -6.730 29.209 -10.892 0.40 55.10 ? 342 ASP a C 1 +ATOM 28275 C C B ASP S 1 342 ? -6.704 29.045 -10.951 0.60 55.15 ? 342 ASP a C 1 +ATOM 28276 O O A ASP S 1 342 ? -5.852 29.186 -10.030 0.40 56.15 ? 342 ASP a O 1 +ATOM 28277 O O B ASP S 1 342 ? -5.875 28.752 -10.087 0.60 55.75 ? 342 ASP a O 1 +ATOM 28278 C CB A ASP S 1 342 ? -5.160 28.235 -12.644 0.40 47.10 ? 342 ASP a CB 1 +ATOM 28279 C CB B ASP S 1 342 ? -5.142 28.187 -12.759 0.60 46.75 ? 342 ASP a CB 1 +ATOM 28280 C CG A ASP S 1 342 ? -5.438 26.745 -12.510 0.40 54.14 ? 342 ASP a CG 1 +ATOM 28281 C CG B ASP S 1 342 ? -5.386 26.689 -12.599 0.60 54.36 ? 342 ASP a CG 1 +ATOM 28282 O OD1 A ASP S 1 342 ? -6.599 26.321 -12.316 0.40 50.46 ? 342 ASP a OD1 1 +ATOM 28283 O OD1 B ASP S 1 342 ? -6.539 26.253 -12.392 0.60 50.15 ? 342 ASP a OD1 1 +ATOM 28284 O OD2 A ASP S 1 342 ? -4.464 25.974 -12.609 0.40 55.94 ? 342 ASP a OD2 1 +ATOM 28285 O OD2 B ASP S 1 342 ? -4.390 25.939 -12.692 0.60 56.22 ? 342 ASP a OD2 1 +ATOM 28286 N N A LEU S 1 343 ? -8.021 29.349 -10.579 0.40 54.69 ? 343 LEU a N 1 +ATOM 28287 N N B LEU S 1 343 ? -7.954 29.410 -10.648 0.60 54.65 ? 343 LEU a N 1 +ATOM 28288 C CA A LEU S 1 343 ? -8.444 29.643 -9.207 0.40 53.68 ? 343 LEU a CA 1 +ATOM 28289 C CA B LEU S 1 343 ? -8.347 29.678 -9.265 0.60 53.57 ? 343 LEU a CA 1 +ATOM 28290 C C A LEU S 1 343 ? -8.771 28.393 -8.396 0.40 60.01 ? 343 LEU a C 1 +ATOM 28291 C C B LEU S 1 343 ? -8.619 28.413 -8.456 0.60 60.59 ? 343 LEU a C 1 +ATOM 28292 O O A LEU S 1 343 ? -9.108 28.500 -7.212 0.40 55.24 ? 343 LEU a O 1 +ATOM 28293 O O B LEU S 1 343 ? -8.694 28.487 -7.225 0.60 54.75 ? 343 LEU a O 1 +ATOM 28294 C CB A LEU S 1 343 ? -9.652 30.582 -9.210 0.40 53.09 ? 343 LEU a CB 1 +ATOM 28295 C CB B LEU S 1 343 ? -9.576 30.587 -9.232 0.60 53.06 ? 343 LEU a CB 1 +ATOM 28296 C CG A LEU S 1 343 ? -9.360 31.968 -9.804 0.40 54.04 ? 343 LEU a CG 1 +ATOM 28297 C CG B LEU S 1 343 ? -9.381 31.998 -9.802 0.60 54.13 ? 343 LEU a CG 1 +ATOM 28298 C CD1 A LEU S 1 343 ? -10.625 32.833 -9.864 0.40 52.65 ? 343 LEU a CD1 1 +ATOM 28299 C CD1 B LEU S 1 343 ? -10.705 32.765 -9.819 0.60 52.59 ? 343 LEU a CD1 1 +ATOM 28300 C CD2 A LEU S 1 343 ? -8.250 32.667 -9.016 0.40 47.99 ? 343 LEU a CD2 1 +ATOM 28301 C CD2 B LEU S 1 343 ? -8.318 32.769 -9.023 0.60 47.77 ? 343 LEU a CD2 1 +ATOM 28302 N N A ALA S 1 344 ? -8.685 27.221 -9.006 0.40 61.84 ? 344 ALA a N 1 +ATOM 28303 N N B ALA S 1 344 ? -8.773 27.266 -9.104 0.60 62.16 ? 344 ALA a N 1 +ATOM 28304 C CA A ALA S 1 344 ? -8.824 25.951 -8.316 0.40 58.44 ? 344 ALA a CA 1 +ATOM 28305 C CA B ALA S 1 344 ? -8.834 25.997 -8.397 0.60 58.57 ? 344 ALA a CA 1 +ATOM 28306 C C A ALA S 1 344 ? -8.226 24.931 -9.233 0.40 58.22 ? 344 ALA a C 1 +ATOM 28307 C C B ALA S 1 344 ? -8.158 24.948 -9.252 0.60 58.37 ? 344 ALA a C 1 +ATOM 28308 O O A ALA S 1 344 ? -7.751 23.885 -8.778 0.40 55.03 ? 344 ALA a O 1 +ATOM 28309 O O B ALA S 1 344 ? -7.554 24.024 -8.709 0.60 54.76 ? 344 ALA a O 1 +ATOM 28310 C CB A ALA S 1 344 ? -10.283 25.625 -8.007 0.40 52.86 ? 344 ALA a CB 1 +ATOM 28311 C CB B ALA S 1 344 ? -10.276 25.605 -8.086 0.60 52.79 ? 344 ALA a CB 1 +ATOM 28312 O OXT A ALA S 1 344 ? -8.233 25.187 -10.459 0.40 54.66 ? 344 ALA a OXT 1 +ATOM 28313 O OXT B ALA S 1 344 ? -8.203 25.033 -10.493 0.60 54.92 ? 344 ALA a OXT 1 +ATOM 28314 N N . GLY T 2 1 ? 26.047 -23.090 8.780 1.00 68.44 ? 2 GLY b N 1 +ATOM 28315 C CA . GLY T 2 1 ? 27.011 -23.079 7.688 1.00 59.14 ? 2 GLY b CA 1 +ATOM 28316 C C . GLY T 2 1 ? 27.450 -21.675 7.311 1.00 61.38 ? 2 GLY b C 1 +ATOM 28317 O O . GLY T 2 1 ? 27.058 -20.704 7.946 1.00 59.57 ? 2 GLY b O 1 +ATOM 28318 N N . LEU T 2 2 ? 28.273 -21.559 6.283 1.00 49.64 ? 3 LEU b N 1 +ATOM 28319 C CA . LEU T 2 2 ? 28.581 -20.247 5.767 1.00 47.79 ? 3 LEU b CA 1 +ATOM 28320 C C . LEU T 2 2 ? 27.324 -19.636 5.147 1.00 56.76 ? 3 LEU b C 1 +ATOM 28321 O O . LEU T 2 2 ? 26.569 -20.327 4.459 1.00 54.16 ? 3 LEU b O 1 +ATOM 28322 C CB . LEU T 2 2 ? 29.689 -20.325 4.723 1.00 55.68 ? 3 LEU b CB 1 +ATOM 28323 C CG . LEU T 2 2 ? 31.098 -20.623 5.222 1.00 64.34 ? 3 LEU b CG 1 +ATOM 28324 C CD1 . LEU T 2 2 ? 31.994 -20.864 4.021 1.00 71.74 ? 3 LEU b CD1 1 +ATOM 28325 C CD2 . LEU T 2 2 ? 31.635 -19.471 6.045 1.00 51.58 ? 3 LEU b CD2 1 +ATOM 28326 N N . PRO T 2 3 ? 27.059 -18.358 5.387 1.00 56.19 ? 4 PRO b N 1 +ATOM 28327 C CA . PRO T 2 3 ? 26.010 -17.677 4.628 1.00 52.45 ? 4 PRO b CA 1 +ATOM 28328 C C . PRO T 2 3 ? 26.501 -17.425 3.218 1.00 55.47 ? 4 PRO b C 1 +ATOM 28329 O O . PRO T 2 3 ? 27.698 -17.495 2.931 1.00 50.72 ? 4 PRO b O 1 +ATOM 28330 C CB . PRO T 2 3 ? 25.797 -16.358 5.388 1.00 49.54 ? 4 PRO b CB 1 +ATOM 28331 C CG . PRO T 2 3 ? 26.583 -16.492 6.659 1.00 55.75 ? 4 PRO b CG 1 +ATOM 28332 C CD . PRO T 2 3 ? 27.686 -17.468 6.375 1.00 53.41 ? 4 PRO b CD 1 +ATOM 28333 N N . TRP T 2 4 ? 25.555 -17.118 2.329 1.00 51.08 ? 5 TRP b N 1 +ATOM 28334 C CA . TRP T 2 4 ? 25.897 -17.076 0.914 1.00 55.34 ? 5 TRP b CA 1 +ATOM 28335 C C . TRP T 2 4 ? 26.927 -15.989 0.621 1.00 52.21 ? 5 TRP b C 1 +ATOM 28336 O O . TRP T 2 4 ? 27.812 -16.180 -0.224 1.00 53.67 ? 5 TRP b O 1 +ATOM 28337 C CB . TRP T 2 4 ? 24.638 -16.883 0.071 1.00 51.01 ? 5 TRP b CB 1 +ATOM 28338 C CG . TRP T 2 4 ? 24.028 -15.549 0.244 1.00 47.32 ? 5 TRP b CG 1 +ATOM 28339 C CD1 . TRP T 2 4 ? 23.062 -15.212 1.134 1.00 47.39 ? 5 TRP b CD1 1 +ATOM 28340 C CD2 . TRP T 2 4 ? 24.342 -14.360 -0.486 1.00 43.22 ? 5 TRP b CD2 1 +ATOM 28341 N NE1 . TRP T 2 4 ? 22.752 -13.887 1.012 1.00 46.60 ? 5 TRP b NE1 1 +ATOM 28342 C CE2 . TRP T 2 4 ? 23.515 -13.339 0.013 1.00 48.66 ? 5 TRP b CE2 1 +ATOM 28343 C CE3 . TRP T 2 4 ? 25.234 -14.060 -1.518 1.00 50.63 ? 5 TRP b CE3 1 +ATOM 28344 C CZ2 . TRP T 2 4 ? 23.563 -12.029 -0.474 1.00 47.06 ? 5 TRP b CZ2 1 +ATOM 28345 C CZ3 . TRP T 2 4 ? 25.274 -12.745 -2.009 1.00 49.38 ? 5 TRP b CZ3 1 +ATOM 28346 C CH2 . TRP T 2 4 ? 24.441 -11.760 -1.490 1.00 49.76 ? 5 TRP b CH2 1 +ATOM 28347 N N A TYR T 2 5 ? 26.847 -14.852 1.323 0.40 45.91 ? 6 TYR b N 1 +ATOM 28348 N N B TYR T 2 5 ? 26.847 -14.860 1.319 0.60 45.87 ? 6 TYR b N 1 +ATOM 28349 C CA A TYR T 2 5 ? 27.772 -13.758 1.052 0.40 52.72 ? 6 TYR b CA 1 +ATOM 28350 C CA B TYR T 2 5 ? 27.775 -13.769 1.045 0.60 52.87 ? 6 TYR b CA 1 +ATOM 28351 C C A TYR T 2 5 ? 29.190 -14.033 1.551 0.40 49.96 ? 6 TYR b C 1 +ATOM 28352 C C B TYR T 2 5 ? 29.199 -14.049 1.527 0.60 50.03 ? 6 TYR b C 1 +ATOM 28353 O O A TYR T 2 5 ? 30.050 -13.158 1.380 0.40 49.95 ? 6 TYR b O 1 +ATOM 28354 O O B TYR T 2 5 ? 30.071 -13.198 1.325 0.60 50.04 ? 6 TYR b O 1 +ATOM 28355 C CB A TYR T 2 5 ? 27.236 -12.439 1.649 0.40 47.40 ? 6 TYR b CB 1 +ATOM 28356 C CB B TYR T 2 5 ? 27.246 -12.457 1.649 0.60 47.30 ? 6 TYR b CB 1 +ATOM 28357 C CG A TYR T 2 5 ? 26.739 -12.554 3.082 0.40 53.27 ? 6 TYR b CG 1 +ATOM 28358 C CG B TYR T 2 5 ? 26.747 -12.580 3.073 0.60 53.34 ? 6 TYR b CG 1 +ATOM 28359 C CD1 A TYR T 2 5 ? 27.580 -12.264 4.159 0.40 53.59 ? 6 TYR b CD1 1 +ATOM 28360 C CD1 B TYR T 2 5 ? 27.585 -12.298 4.152 0.60 53.71 ? 6 TYR b CD1 1 +ATOM 28361 C CD2 A TYR T 2 5 ? 25.425 -12.945 3.355 0.40 45.57 ? 6 TYR b CD2 1 +ATOM 28362 C CD2 B TYR T 2 5 ? 25.435 -12.967 3.341 0.60 45.42 ? 6 TYR b CD2 1 +ATOM 28363 C CE1 A TYR T 2 5 ? 27.134 -12.396 5.477 0.40 51.57 ? 6 TYR b CE1 1 +ATOM 28364 C CE1 B TYR T 2 5 ? 27.136 -12.423 5.459 0.60 51.53 ? 6 TYR b CE1 1 +ATOM 28365 C CE2 A TYR T 2 5 ? 24.971 -13.069 4.650 0.40 48.52 ? 6 TYR b CE2 1 +ATOM 28366 C CE2 B TYR T 2 5 ? 24.976 -13.091 4.640 0.60 48.38 ? 6 TYR b CE2 1 +ATOM 28367 C CZ A TYR T 2 5 ? 25.831 -12.792 5.709 0.40 53.14 ? 6 TYR b CZ 1 +ATOM 28368 C CZ B TYR T 2 5 ? 25.833 -12.817 5.693 0.60 53.12 ? 6 TYR b CZ 1 +ATOM 28369 O OH A TYR T 2 5 ? 25.380 -12.927 6.998 0.40 54.58 ? 6 TYR b OH 1 +ATOM 28370 O OH B TYR T 2 5 ? 25.383 -12.949 6.979 0.60 54.45 ? 6 TYR b OH 1 +ATOM 28371 N N . ARG T 2 6 ? 29.474 -15.210 2.121 1.00 44.62 ? 7 ARG b N 1 +ATOM 28372 C CA . ARG T 2 6 ? 30.820 -15.539 2.596 1.00 52.69 ? 7 ARG b CA 1 +ATOM 28373 C C . ARG T 2 6 ? 31.472 -16.766 1.952 1.00 54.09 ? 7 ARG b C 1 +ATOM 28374 O O . ARG T 2 6 ? 32.577 -17.122 2.364 1.00 57.25 ? 7 ARG b O 1 +ATOM 28375 C CB . ARG T 2 6 ? 30.821 -15.746 4.127 1.00 50.89 ? 7 ARG b CB 1 +ATOM 28376 C CG . ARG T 2 6 ? 30.635 -14.464 4.932 1.00 49.73 ? 7 ARG b CG 1 +ATOM 28377 C CD . ARG T 2 6 ? 30.751 -14.707 6.453 1.00 58.73 ? 7 ARG b CD 1 +ATOM 28378 N NE . ARG T 2 6 ? 30.208 -13.577 7.195 1.00 59.90 ? 7 ARG b NE 1 +ATOM 28379 C CZ . ARG T 2 6 ? 29.796 -13.620 8.453 1.00 64.66 ? 7 ARG b CZ 1 +ATOM 28380 N NH1 . ARG T 2 6 ? 29.894 -14.721 9.176 1.00 59.32 ? 7 ARG b NH1 1 +ATOM 28381 N NH2 . ARG T 2 6 ? 29.258 -12.529 8.996 1.00 50.85 ? 7 ARG b NH2 1 +ATOM 28382 N N . VAL T 2 7 ? 30.861 -17.400 0.943 1.00 53.02 ? 8 VAL b N 1 +ATOM 28383 C CA . VAL T 2 7 ? 31.350 -18.711 0.489 1.00 53.99 ? 8 VAL b CA 1 +ATOM 28384 C C . VAL T 2 7 ? 32.806 -18.661 0.046 1.00 52.59 ? 8 VAL b C 1 +ATOM 28385 O O . VAL T 2 7 ? 33.518 -19.675 0.121 1.00 56.40 ? 8 VAL b O 1 +ATOM 28386 C CB . VAL T 2 7 ? 30.471 -19.293 -0.647 1.00 44.31 ? 8 VAL b CB 1 +ATOM 28387 C CG1 . VAL T 2 7 ? 29.140 -19.727 -0.114 1.00 46.35 ? 8 VAL b CG1 1 +ATOM 28388 C CG2 . VAL T 2 7 ? 30.297 -18.297 -1.760 1.00 47.45 ? 8 VAL b CG2 1 +ATOM 28389 N N . HIS T 2 8 ? 33.272 -17.512 -0.435 1.00 48.50 ? 9 HIS b N 1 +ATOM 28390 C CA . HIS T 2 8 ? 34.608 -17.425 -1.010 1.00 52.98 ? 9 HIS b CA 1 +ATOM 28391 C C . HIS T 2 8 ? 35.694 -17.209 0.038 1.00 60.55 ? 9 HIS b C 1 +ATOM 28392 O O . HIS T 2 8 ? 36.881 -17.230 -0.316 1.00 52.14 ? 9 HIS b O 1 +ATOM 28393 C CB . HIS T 2 8 ? 34.668 -16.314 -2.066 1.00 45.36 ? 9 HIS b CB 1 +ATOM 28394 C CG . HIS T 2 8 ? 33.927 -16.641 -3.329 1.00 55.36 ? 9 HIS b CG 1 +ATOM 28395 N ND1 . HIS T 2 8 ? 33.607 -15.688 -4.268 1.00 48.31 ? 9 HIS b ND1 1 +ATOM 28396 C CD2 . HIS T 2 8 ? 33.433 -17.813 -3.802 1.00 51.67 ? 9 HIS b CD2 1 +ATOM 28397 C CE1 . HIS T 2 8 ? 32.960 -16.255 -5.273 1.00 53.10 ? 9 HIS b CE1 1 +ATOM 28398 N NE2 . HIS T 2 8 ? 32.832 -17.544 -5.013 1.00 48.04 ? 9 HIS b NE2 1 +ATOM 28399 N N . THR T 2 9 ? 35.323 -17.018 1.312 1.00 46.21 ? 10 THR b N 1 +ATOM 28400 C CA . THR T 2 9 ? 36.328 -16.891 2.367 1.00 55.45 ? 10 THR b CA 1 +ATOM 28401 C C . THR T 2 9 ? 37.080 -18.199 2.624 1.00 55.53 ? 10 THR b C 1 +ATOM 28402 O O . THR T 2 9 ? 38.090 -18.173 3.333 1.00 56.64 ? 10 THR b O 1 +ATOM 28403 C CB . THR T 2 9 ? 35.695 -16.391 3.676 1.00 53.46 ? 10 THR b CB 1 +ATOM 28404 O OG1 . THR T 2 9 ? 34.761 -17.357 4.166 1.00 53.86 ? 10 THR b OG1 1 +ATOM 28405 C CG2 . THR T 2 9 ? 34.940 -15.082 3.449 1.00 51.31 ? 10 THR b CG2 1 +ATOM 28406 N N . VAL T 2 10 ? 36.652 -19.322 2.034 1.00 51.88 ? 11 VAL b N 1 +ATOM 28407 C CA . VAL T 2 10 ? 37.370 -20.589 2.216 1.00 52.37 ? 11 VAL b CA 1 +ATOM 28408 C C . VAL T 2 10 ? 38.733 -20.593 1.542 1.00 58.23 ? 11 VAL b C 1 +ATOM 28409 O O . VAL T 2 10 ? 39.505 -21.534 1.738 1.00 55.77 ? 11 VAL b O 1 +ATOM 28410 C CB . VAL T 2 10 ? 36.575 -21.807 1.697 1.00 55.79 ? 11 VAL b CB 1 +ATOM 28411 C CG1 . VAL T 2 10 ? 35.240 -21.927 2.413 1.00 49.25 ? 11 VAL b CG1 1 +ATOM 28412 C CG2 . VAL T 2 10 ? 36.424 -21.748 0.142 1.00 49.67 ? 11 VAL b CG2 1 +ATOM 28413 N N . LEU T 2 11 ? 39.049 -19.563 0.762 1.00 55.76 ? 12 LEU b N 1 +ATOM 28414 C CA . LEU T 2 11 ? 40.349 -19.429 0.129 1.00 55.42 ? 12 LEU b CA 1 +ATOM 28415 C C . LEU T 2 11 ? 41.351 -18.632 0.960 1.00 53.44 ? 12 LEU b C 1 +ATOM 28416 O O . LEU T 2 11 ? 42.540 -18.657 0.634 1.00 54.23 ? 12 LEU b O 1 +ATOM 28417 C CB . LEU T 2 11 ? 40.199 -18.745 -1.235 1.00 53.10 ? 12 LEU b CB 1 +ATOM 28418 C CG . LEU T 2 11 ? 39.312 -19.367 -2.319 1.00 54.98 ? 12 LEU b CG 1 +ATOM 28419 C CD1 . LEU T 2 11 ? 38.977 -18.327 -3.384 1.00 49.30 ? 12 LEU b CD1 1 +ATOM 28420 C CD2 . LEU T 2 11 ? 39.992 -20.571 -2.944 1.00 51.98 ? 12 LEU b CD2 1 +ATOM 28421 N N . ILE T 2 12 ? 40.906 -17.905 1.994 1.00 49.52 ? 13 ILE b N 1 +ATOM 28422 C CA . ILE T 2 12 ? 41.800 -17.001 2.729 1.00 66.25 ? 13 ILE b CA 1 +ATOM 28423 C C . ILE T 2 12 ? 43.094 -17.703 3.154 1.00 63.99 ? 13 ILE b C 1 +ATOM 28424 O O . ILE T 2 12 ? 44.191 -17.149 3.008 1.00 62.32 ? 13 ILE b O 1 +ATOM 28425 C CB . ILE T 2 12 ? 41.069 -16.393 3.938 1.00 60.62 ? 13 ILE b CB 1 +ATOM 28426 C CG1 . ILE T 2 12 ? 39.989 -15.424 3.448 1.00 58.73 ? 13 ILE b CG1 1 +ATOM 28427 C CG2 . ILE T 2 12 ? 42.065 -15.705 4.843 1.00 60.14 ? 13 ILE b CG2 1 +ATOM 28428 C CD1 . ILE T 2 12 ? 39.027 -14.980 4.496 1.00 53.40 ? 13 ILE b CD1 1 +ATOM 28429 N N . ASN T 2 13 ? 42.999 -18.937 3.654 1.00 53.14 ? 14 ASN b N 1 +ATOM 28430 C CA . ASN T 2 13 ? 44.224 -19.640 4.019 1.00 67.46 ? 14 ASN b CA 1 +ATOM 28431 C C . ASN T 2 13 ? 44.513 -20.852 3.153 1.00 66.57 ? 14 ASN b C 1 +ATOM 28432 O O . ASN T 2 13 ? 44.884 -21.913 3.663 1.00 66.01 ? 14 ASN b O 1 +ATOM 28433 C CB . ASN T 2 13 ? 44.188 -20.060 5.483 1.00 86.68 ? 14 ASN b CB 1 +ATOM 28434 C CG . ASN T 2 13 ? 44.865 -19.048 6.356 1.00 107.58 ? 14 ASN b CG 1 +ATOM 28435 O OD1 . ASN T 2 13 ? 46.099 -18.989 6.412 1.00 108.48 ? 14 ASN b OD1 1 +ATOM 28436 N ND2 . ASN T 2 13 ? 44.071 -18.194 7.000 1.00 102.74 ? 14 ASN b ND2 1 +ATOM 28437 N N . ASP T 2 14 ? 44.373 -20.688 1.841 1.00 57.80 ? 15 ASP b N 1 +ATOM 28438 C CA . ASP T 2 14 ? 44.621 -21.757 0.877 1.00 62.56 ? 15 ASP b CA 1 +ATOM 28439 C C . ASP T 2 14 ? 45.252 -21.083 -0.330 1.00 55.49 ? 15 ASP b C 1 +ATOM 28440 O O . ASP T 2 14 ? 44.570 -20.765 -1.307 1.00 63.04 ? 15 ASP b O 1 +ATOM 28441 C CB . ASP T 2 14 ? 43.320 -22.482 0.518 1.00 57.46 ? 15 ASP b CB 1 +ATOM 28442 C CG . ASP T 2 14 ? 43.549 -23.784 -0.248 1.00 58.73 ? 15 ASP b CG 1 +ATOM 28443 O OD1 . ASP T 2 14 ? 44.613 -23.954 -0.880 1.00 60.08 ? 15 ASP b OD1 1 +ATOM 28444 O OD2 . ASP T 2 14 ? 42.648 -24.644 -0.215 1.00 59.04 ? 15 ASP b OD2 1 +ATOM 28445 N N . PRO T 2 15 ? 46.555 -20.788 -0.269 1.00 65.72 ? 16 PRO b N 1 +ATOM 28446 C CA . PRO T 2 15 ? 47.159 -19.982 -1.345 1.00 53.60 ? 16 PRO b CA 1 +ATOM 28447 C C . PRO T 2 15 ? 47.069 -20.655 -2.694 1.00 57.84 ? 16 PRO b C 1 +ATOM 28448 O O . PRO T 2 15 ? 46.856 -19.977 -3.708 1.00 60.13 ? 16 PRO b O 1 +ATOM 28449 C CB . PRO T 2 15 ? 48.613 -19.812 -0.881 1.00 56.52 ? 16 PRO b CB 1 +ATOM 28450 C CG . PRO T 2 15 ? 48.549 -20.007 0.617 1.00 52.89 ? 16 PRO b CG 1 +ATOM 28451 C CD . PRO T 2 15 ? 47.514 -21.064 0.816 1.00 59.85 ? 16 PRO b CD 1 +ATOM 28452 N N . GLY T 2 16 ? 47.202 -21.980 -2.729 1.00 62.57 ? 17 GLY b N 1 +ATOM 28453 C CA . GLY T 2 16 ? 47.108 -22.689 -3.992 1.00 58.51 ? 17 GLY b CA 1 +ATOM 28454 C C . GLY T 2 16 ? 45.722 -22.628 -4.602 1.00 57.04 ? 17 GLY b C 1 +ATOM 28455 O O . GLY T 2 16 ? 45.578 -22.526 -5.816 1.00 53.34 ? 17 GLY b O 1 +ATOM 28456 N N . ARG T 2 17 ? 44.678 -22.695 -3.778 1.00 54.76 ? 18 ARG b N 1 +ATOM 28457 C CA . ARG T 2 17 ? 43.357 -22.547 -4.372 1.00 52.66 ? 18 ARG b CA 1 +ATOM 28458 C C . ARG T 2 17 ? 43.021 -21.084 -4.633 1.00 56.71 ? 18 ARG b C 1 +ATOM 28459 O O . ARG T 2 17 ? 42.298 -20.787 -5.589 1.00 54.55 ? 18 ARG b O 1 +ATOM 28460 C CB . ARG T 2 17 ? 42.303 -23.245 -3.513 1.00 50.03 ? 18 ARG b CB 1 +ATOM 28461 C CG . ARG T 2 17 ? 42.325 -24.765 -3.794 1.00 46.42 ? 18 ARG b CG 1 +ATOM 28462 C CD . ARG T 2 17 ? 41.163 -25.546 -3.221 1.00 54.30 ? 18 ARG b CD 1 +ATOM 28463 N NE . ARG T 2 17 ? 41.241 -26.922 -3.706 1.00 57.89 ? 18 ARG b NE 1 +ATOM 28464 C CZ . ARG T 2 17 ? 40.367 -27.885 -3.443 1.00 62.73 ? 18 ARG b CZ 1 +ATOM 28465 N NH1 . ARG T 2 17 ? 39.333 -27.681 -2.646 1.00 52.18 ? 18 ARG b NH1 1 +ATOM 28466 N NH2 . ARG T 2 17 ? 40.532 -29.082 -4.010 1.00 56.09 ? 18 ARG b NH2 1 +ATOM 28467 N N . LEU T 2 18 ? 43.573 -20.162 -3.846 1.00 47.38 ? 19 LEU b N 1 +ATOM 28468 C CA . LEU T 2 18 ? 43.490 -18.752 -4.207 1.00 53.21 ? 19 LEU b CA 1 +ATOM 28469 C C . LEU T 2 18 ? 44.087 -18.497 -5.587 1.00 51.41 ? 19 LEU b C 1 +ATOM 28470 O O . LEU T 2 18 ? 43.470 -17.832 -6.429 1.00 51.86 ? 19 LEU b O 1 +ATOM 28471 C CB . LEU T 2 18 ? 44.191 -17.903 -3.149 1.00 55.74 ? 19 LEU b CB 1 +ATOM 28472 C CG . LEU T 2 18 ? 44.114 -16.398 -3.379 1.00 53.57 ? 19 LEU b CG 1 +ATOM 28473 C CD1 . LEU T 2 18 ? 42.725 -15.880 -3.047 1.00 53.63 ? 19 LEU b CD1 1 +ATOM 28474 C CD2 . LEU T 2 18 ? 45.162 -15.739 -2.528 1.00 56.60 ? 19 LEU b CD2 1 +ATOM 28475 N N . ILE T 2 19 ? 45.282 -19.038 -5.846 1.00 53.62 ? 20 ILE b N 1 +ATOM 28476 C CA . ILE T 2 19 ? 45.891 -18.921 -7.172 1.00 48.26 ? 20 ILE b CA 1 +ATOM 28477 C C . ILE T 2 19 ? 44.972 -19.509 -8.245 1.00 54.18 ? 20 ILE b C 1 +ATOM 28478 O O . ILE T 2 19 ? 44.785 -18.910 -9.306 1.00 51.54 ? 20 ILE b O 1 +ATOM 28479 C CB . ILE T 2 19 ? 47.282 -19.589 -7.172 1.00 54.53 ? 20 ILE b CB 1 +ATOM 28480 C CG1 . ILE T 2 19 ? 48.286 -18.746 -6.377 1.00 52.66 ? 20 ILE b CG1 1 +ATOM 28481 C CG2 . ILE T 2 19 ? 47.781 -19.862 -8.597 1.00 49.89 ? 20 ILE b CG2 1 +ATOM 28482 C CD1 . ILE T 2 19 ? 49.568 -19.502 -5.998 1.00 50.80 ? 20 ILE b CD1 1 +ATOM 28483 N N . ALA T 2 20 ? 44.378 -20.685 -7.988 1.00 50.01 ? 21 ALA b N 1 +ATOM 28484 C CA . ALA T 2 20 ? 43.456 -21.279 -8.958 1.00 48.10 ? 21 ALA b CA 1 +ATOM 28485 C C . ALA T 2 20 ? 42.280 -20.345 -9.249 1.00 53.54 ? 21 ALA b C 1 +ATOM 28486 O O . ALA T 2 20 ? 41.926 -20.121 -10.416 1.00 49.21 ? 21 ALA b O 1 +ATOM 28487 C CB . ALA T 2 20 ? 42.960 -22.638 -8.461 1.00 46.73 ? 21 ALA b CB 1 +ATOM 28488 N N . ALA T 2 21 ? 41.677 -19.770 -8.198 1.00 48.46 ? 22 ALA b N 1 +ATOM 28489 C CA . ALA T 2 21 ? 40.565 -18.840 -8.396 1.00 49.96 ? 22 ALA b CA 1 +ATOM 28490 C C . ALA T 2 21 ? 41.007 -17.612 -9.178 1.00 51.14 ? 22 ALA b C 1 +ATOM 28491 O O . ALA T 2 21 ? 40.293 -17.140 -10.072 1.00 50.73 ? 22 ALA b O 1 +ATOM 28492 C CB . ALA T 2 21 ? 39.963 -18.430 -7.052 1.00 47.79 ? 22 ALA b CB 1 +ATOM 28493 N N . HIS T 2 22 ? 42.188 -17.079 -8.865 1.00 50.63 ? 23 HIS b N 1 +ATOM 28494 C CA . HIS T 2 22 ? 42.705 -15.965 -9.650 1.00 50.10 ? 23 HIS b CA 1 +ATOM 28495 C C . HIS T 2 22 ? 42.983 -16.386 -11.083 1.00 46.38 ? 23 HIS b C 1 +ATOM 28496 O O . HIS T 2 22 ? 42.783 -15.603 -12.023 1.00 51.58 ? 23 HIS b O 1 +ATOM 28497 C CB . HIS T 2 22 ? 43.957 -15.396 -8.986 1.00 49.23 ? 23 HIS b CB 1 +ATOM 28498 C CG . HIS T 2 22 ? 43.664 -14.642 -7.725 1.00 62.13 ? 23 HIS b CG 1 +ATOM 28499 N ND1 . HIS T 2 22 ? 44.648 -14.098 -6.927 1.00 50.86 ? 23 HIS b ND1 1 +ATOM 28500 C CD2 . HIS T 2 22 ? 42.484 -14.331 -7.136 1.00 52.25 ? 23 HIS b CD2 1 +ATOM 28501 C CE1 . HIS T 2 22 ? 44.084 -13.468 -5.911 1.00 58.69 ? 23 HIS b CE1 1 +ATOM 28502 N NE2 . HIS T 2 22 ? 42.773 -13.599 -6.012 1.00 53.58 ? 23 HIS b NE2 1 +ATOM 28503 N N . LEU T 2 23 ? 43.461 -17.612 -11.274 1.00 51.06 ? 24 LEU b N 1 +ATOM 28504 C CA . LEU T 2 23 ? 43.636 -18.117 -12.626 1.00 49.08 ? 24 LEU b CA 1 +ATOM 28505 C C . LEU T 2 23 ? 42.303 -18.161 -13.369 1.00 50.93 ? 24 LEU b C 1 +ATOM 28506 O O . LEU T 2 23 ? 42.214 -17.720 -14.520 1.00 49.18 ? 24 LEU b O 1 +ATOM 28507 C CB . LEU T 2 23 ? 44.289 -19.488 -12.572 1.00 44.25 ? 24 LEU b CB 1 +ATOM 28508 C CG . LEU T 2 23 ? 45.808 -19.477 -12.365 1.00 57.14 ? 24 LEU b CG 1 +ATOM 28509 C CD1 . LEU T 2 23 ? 46.319 -20.904 -12.079 1.00 46.70 ? 24 LEU b CD1 1 +ATOM 28510 C CD2 . LEU T 2 23 ? 46.526 -18.849 -13.557 1.00 49.73 ? 24 LEU b CD2 1 +ATOM 28511 N N . MET T 2 24 ? 41.245 -18.641 -12.710 1.00 47.10 ? 25 MET b N 1 +ATOM 28512 C CA . MET T 2 24 ? 39.951 -18.741 -13.376 1.00 51.06 ? 25 MET b CA 1 +ATOM 28513 C C . MET T 2 24 ? 39.374 -17.370 -13.699 1.00 47.06 ? 25 MET b C 1 +ATOM 28514 O O . MET T 2 24 ? 38.794 -17.172 -14.776 1.00 46.79 ? 25 MET b O 1 +ATOM 28515 C CB . MET T 2 24 ? 38.971 -19.538 -12.512 1.00 57.51 ? 25 MET b CB 1 +ATOM 28516 C CG . MET T 2 24 ? 37.620 -19.798 -13.205 1.00 57.08 ? 25 MET b CG 1 +ATOM 28517 S SD . MET T 2 24 ? 37.787 -20.819 -14.681 1.00 54.41 ? 25 MET b SD 1 +ATOM 28518 C CE . MET T 2 24 ? 38.362 -22.352 -13.970 1.00 51.94 ? 25 MET b CE 1 +ATOM 28519 N N . HIS T 2 25 ? 39.492 -16.415 -12.772 1.00 54.25 ? 26 HIS b N 1 +ATOM 28520 C CA . HIS T 2 25 ? 39.067 -15.053 -13.087 1.00 45.28 ? 26 HIS b CA 1 +ATOM 28521 C C . HIS T 2 25 ? 39.833 -14.518 -14.286 1.00 49.14 ? 26 HIS b C 1 +ATOM 28522 O O . HIS T 2 25 ? 39.264 -13.847 -15.153 1.00 51.13 ? 26 HIS b O 1 +ATOM 28523 C CB . HIS T 2 25 ? 39.250 -14.136 -11.870 1.00 46.99 ? 26 HIS b CB 1 +ATOM 28524 C CG . HIS T 2 25 ? 38.746 -12.733 -12.079 1.00 48.11 ? 26 HIS b CG 1 +ATOM 28525 N ND1 . HIS T 2 25 ? 39.548 -11.717 -12.555 1.00 49.51 ? 26 HIS b ND1 1 +ATOM 28526 C CD2 . HIS T 2 25 ? 37.519 -12.185 -11.892 1.00 48.57 ? 26 HIS b CD2 1 +ATOM 28527 C CE1 . HIS T 2 25 ? 38.841 -10.598 -12.646 1.00 43.09 ? 26 HIS b CE1 1 +ATOM 28528 N NE2 . HIS T 2 25 ? 37.607 -10.851 -12.237 1.00 51.89 ? 26 HIS b NE2 1 +ATOM 28529 N N . THR T 2 26 ? 41.129 -14.812 -14.363 1.00 49.80 ? 27 THR b N 1 +ATOM 28530 C CA . THR T 2 26 ? 41.922 -14.285 -15.471 1.00 47.19 ? 27 THR b CA 1 +ATOM 28531 C C . THR T 2 26 ? 41.488 -14.915 -16.791 1.00 49.53 ? 27 THR b C 1 +ATOM 28532 O O . THR T 2 26 ? 41.370 -14.225 -17.809 1.00 50.56 ? 27 THR b O 1 +ATOM 28533 C CB . THR T 2 26 ? 43.409 -14.535 -15.204 1.00 49.44 ? 27 THR b CB 1 +ATOM 28534 O OG1 . THR T 2 26 ? 43.748 -14.080 -13.878 1.00 52.59 ? 27 THR b OG1 1 +ATOM 28535 C CG2 . THR T 2 26 ? 44.278 -13.835 -16.246 1.00 41.98 ? 27 THR b CG2 1 +ATOM 28536 N N . ALA T 2 27 ? 41.250 -16.233 -16.780 1.00 48.70 ? 28 ALA b N 1 +ATOM 28537 C CA . ALA T 2 27 ? 40.705 -16.919 -17.944 1.00 48.86 ? 28 ALA b CA 1 +ATOM 28538 C C . ALA T 2 27 ? 39.397 -16.290 -18.392 1.00 43.35 ? 28 ALA b C 1 +ATOM 28539 O O . ALA T 2 27 ? 39.180 -16.074 -19.584 1.00 45.59 ? 28 ALA b O 1 +ATOM 28540 C CB . ALA T 2 27 ? 40.495 -18.403 -17.616 1.00 46.82 ? 28 ALA b CB 1 +ATOM 28541 N N . LEU T 2 28 ? 38.508 -15.989 -17.443 1.00 52.87 ? 29 LEU b N 1 +ATOM 28542 C CA . LEU T 2 28 ? 37.222 -15.403 -17.803 1.00 50.05 ? 29 LEU b CA 1 +ATOM 28543 C C . LEU T 2 28 ? 37.398 -14.035 -18.448 1.00 52.55 ? 29 LEU b C 1 +ATOM 28544 O O . LEU T 2 28 ? 36.739 -13.718 -19.452 1.00 51.23 ? 29 LEU b O 1 +ATOM 28545 C CB . LEU T 2 28 ? 36.316 -15.308 -16.576 1.00 47.78 ? 29 LEU b CB 1 +ATOM 28546 C CG . LEU T 2 28 ? 35.797 -16.654 -16.057 1.00 53.27 ? 29 LEU b CG 1 +ATOM 28547 C CD1 . LEU T 2 28 ? 35.149 -16.490 -14.686 1.00 50.51 ? 29 LEU b CD1 1 +ATOM 28548 C CD2 . LEU T 2 28 ? 34.819 -17.282 -17.043 1.00 45.86 ? 29 LEU b CD2 1 +ATOM 28549 N N . VAL T 2 29 ? 38.303 -13.220 -17.917 1.00 45.42 ? 30 VAL b N 1 +ATOM 28550 C CA . VAL T 2 29 ? 38.429 -11.866 -18.437 1.00 42.64 ? 30 VAL b CA 1 +ATOM 28551 C C . VAL T 2 29 ? 39.050 -11.888 -19.821 1.00 47.64 ? 30 VAL b C 1 +ATOM 28552 O O . VAL T 2 29 ? 38.625 -11.149 -20.716 1.00 50.91 ? 30 VAL b O 1 +ATOM 28553 C CB . VAL T 2 29 ? 39.227 -10.981 -17.462 1.00 47.31 ? 30 VAL b CB 1 +ATOM 28554 C CG1 . VAL T 2 29 ? 39.449 -9.586 -18.066 1.00 41.01 ? 30 VAL b CG1 1 +ATOM 28555 C CG2 . VAL T 2 29 ? 38.512 -10.912 -16.094 1.00 50.08 ? 30 VAL b CG2 1 +ATOM 28556 N N . ALA T 2 30 ? 40.050 -12.746 -20.029 1.00 52.97 ? 31 ALA b N 1 +ATOM 28557 C CA . ALA T 2 30 ? 40.683 -12.839 -21.340 1.00 45.77 ? 31 ALA b CA 1 +ATOM 28558 C C . ALA T 2 30 ? 39.716 -13.411 -22.368 1.00 49.65 ? 31 ALA b C 1 +ATOM 28559 O O . ALA T 2 30 ? 39.736 -13.017 -23.546 1.00 50.90 ? 31 ALA b O 1 +ATOM 28560 C CB . ALA T 2 30 ? 41.945 -13.703 -21.243 1.00 48.07 ? 31 ALA b CB 1 +ATOM 28561 N N . GLY T 2 31 ? 38.872 -14.355 -21.935 1.00 48.21 ? 32 GLY b N 1 +ATOM 28562 C CA . GLY T 2 31 ? 37.859 -14.896 -22.821 1.00 47.99 ? 32 GLY b CA 1 +ATOM 28563 C C . GLY T 2 31 ? 36.793 -13.883 -23.177 1.00 55.92 ? 32 GLY b C 1 +ATOM 28564 O O . GLY T 2 31 ? 36.254 -13.919 -24.289 1.00 51.45 ? 32 GLY b O 1 +ATOM 28565 N N . TRP T 2 32 ? 36.485 -12.958 -22.258 1.00 43.37 ? 33 TRP b N 1 +ATOM 28566 C CA . TRP T 2 32 ? 35.576 -11.872 -22.606 1.00 40.74 ? 33 TRP b CA 1 +ATOM 28567 C C . TRP T 2 32 ? 36.180 -10.978 -23.686 1.00 49.68 ? 33 TRP b C 1 +ATOM 28568 O O . TRP T 2 32 ? 35.492 -10.592 -24.639 1.00 50.43 ? 33 TRP b O 1 +ATOM 28569 C CB . TRP T 2 32 ? 35.200 -11.036 -21.372 1.00 39.18 ? 33 TRP b CB 1 +ATOM 28570 C CG . TRP T 2 32 ? 34.362 -9.827 -21.763 1.00 48.82 ? 33 TRP b CG 1 +ATOM 28571 C CD1 . TRP T 2 32 ? 33.007 -9.782 -21.893 1.00 50.38 ? 33 TRP b CD1 1 +ATOM 28572 C CD2 . TRP T 2 32 ? 34.840 -8.521 -22.107 1.00 43.64 ? 33 TRP b CD2 1 +ATOM 28573 N NE1 . TRP T 2 32 ? 32.606 -8.538 -22.300 1.00 46.16 ? 33 TRP b NE1 1 +ATOM 28574 C CE2 . TRP T 2 32 ? 33.710 -7.741 -22.443 1.00 52.54 ? 33 TRP b CE2 1 +ATOM 28575 C CE3 . TRP T 2 32 ? 36.111 -7.937 -22.169 1.00 45.74 ? 33 TRP b CE3 1 +ATOM 28576 C CZ2 . TRP T 2 32 ? 33.808 -6.391 -22.822 1.00 45.13 ? 33 TRP b CZ2 1 +ATOM 28577 C CZ3 . TRP T 2 32 ? 36.218 -6.607 -22.553 1.00 50.54 ? 33 TRP b CZ3 1 +ATOM 28578 C CH2 . TRP T 2 32 ? 35.069 -5.847 -22.887 1.00 54.95 ? 33 TRP b CH2 1 +ATOM 28579 N N . ALA T 2 33 ? 37.465 -10.631 -23.555 1.00 45.57 ? 34 ALA b N 1 +ATOM 28580 C CA . ALA T 2 33 ? 38.081 -9.725 -24.525 1.00 46.75 ? 34 ALA b CA 1 +ATOM 28581 C C . ALA T 2 33 ? 38.084 -10.338 -25.924 1.00 45.46 ? 34 ALA b C 1 +ATOM 28582 O O . ALA T 2 33 ? 37.811 -9.646 -26.913 1.00 47.12 ? 34 ALA b O 1 +ATOM 28583 C CB . ALA T 2 33 ? 39.501 -9.365 -24.077 1.00 45.39 ? 34 ALA b CB 1 +ATOM 28584 N N . GLY T 2 34 ? 38.352 -11.647 -26.016 1.00 52.26 ? 35 GLY b N 1 +ATOM 28585 C CA . GLY T 2 34 ? 38.304 -12.327 -27.304 1.00 52.42 ? 35 GLY b CA 1 +ATOM 28586 C C . GLY T 2 34 ? 36.894 -12.426 -27.861 1.00 46.52 ? 35 GLY b C 1 +ATOM 28587 O O . GLY T 2 34 ? 36.660 -12.133 -29.033 1.00 49.80 ? 35 GLY b O 1 +ATOM 28588 N N . SER T 2 35 ? 35.937 -12.833 -27.023 1.00 50.03 ? 36 SER b N 1 +ATOM 28589 C CA . SER T 2 35 ? 34.537 -12.877 -27.443 1.00 53.52 ? 36 SER b CA 1 +ATOM 28590 C C . SER T 2 35 ? 34.053 -11.511 -27.892 1.00 45.68 ? 36 SER b C 1 +ATOM 28591 O O . SER T 2 35 ? 33.381 -11.383 -28.923 1.00 52.67 ? 36 SER b O 1 +ATOM 28592 C CB . SER T 2 35 ? 33.648 -13.360 -26.299 1.00 45.61 ? 36 SER b CB 1 +ATOM 28593 O OG . SER T 2 35 ? 34.085 -14.597 -25.837 1.00 67.35 ? 36 SER b OG 1 +ATOM 28594 N N . MET T 2 36 ? 34.340 -10.479 -27.092 1.00 49.51 ? 37 MET b N 1 +ATOM 28595 C CA . MET T 2 36 ? 33.867 -9.145 -27.431 1.00 46.89 ? 37 MET b CA 1 +ATOM 28596 C C . MET T 2 36 ? 34.447 -8.683 -28.754 1.00 43.58 ? 37 MET b C 1 +ATOM 28597 O O . MET T 2 36 ? 33.751 -8.051 -29.560 1.00 47.35 ? 37 MET b O 1 +ATOM 28598 C CB . MET T 2 36 ? 34.220 -8.154 -26.320 1.00 52.11 ? 37 MET b CB 1 +ATOM 28599 C CG . MET T 2 36 ? 33.520 -6.806 -26.493 1.00 42.75 ? 37 MET b CG 1 +ATOM 28600 S SD . MET T 2 36 ? 31.781 -6.927 -25.984 1.00 48.73 ? 37 MET b SD 1 +ATOM 28601 C CE . MET T 2 36 ? 30.928 -6.751 -27.561 1.00 41.76 ? 37 MET b CE 1 +ATOM 28602 N N . ALA T 2 37 ? 35.720 -8.996 -29.005 1.00 49.18 ? 38 ALA b N 1 +ATOM 28603 C CA . ALA T 2 37 ? 36.346 -8.551 -30.251 1.00 52.17 ? 38 ALA b CA 1 +ATOM 28604 C C . ALA T 2 37 ? 35.748 -9.264 -31.461 1.00 54.19 ? 38 ALA b C 1 +ATOM 28605 O O . ALA T 2 37 ? 35.516 -8.635 -32.502 1.00 50.28 ? 38 ALA b O 1 +ATOM 28606 C CB . ALA T 2 37 ? 37.856 -8.769 -30.193 1.00 51.82 ? 38 ALA b CB 1 +ATOM 28607 N N . LEU T 2 38 ? 35.464 -10.568 -31.332 1.00 45.27 ? 39 LEU b N 1 +ATOM 28608 C CA . LEU T 2 38 ? 34.886 -11.313 -32.445 1.00 49.44 ? 39 LEU b CA 1 +ATOM 28609 C C . LEU T 2 38 ? 33.497 -10.795 -32.781 1.00 44.39 ? 39 LEU b C 1 +ATOM 28610 O O . LEU T 2 38 ? 33.152 -10.621 -33.958 1.00 51.75 ? 39 LEU b O 1 +ATOM 28611 C CB . LEU T 2 38 ? 34.841 -12.810 -32.117 1.00 48.70 ? 39 LEU b CB 1 +ATOM 28612 C CG . LEU T 2 38 ? 36.196 -13.519 -32.072 1.00 57.98 ? 39 LEU b CG 1 +ATOM 28613 C CD1 . LEU T 2 38 ? 36.035 -14.991 -31.738 1.00 55.02 ? 39 LEU b CD1 1 +ATOM 28614 C CD2 . LEU T 2 38 ? 36.891 -13.340 -33.405 1.00 55.96 ? 39 LEU b CD2 1 +ATOM 28615 N N . TYR T 2 39 ? 32.696 -10.523 -31.757 1.00 47.90 ? 40 TYR b N 1 +ATOM 28616 C CA . TYR T 2 39 ? 31.366 -9.974 -31.976 1.00 49.44 ? 40 TYR b CA 1 +ATOM 28617 C C . TYR T 2 39 ? 31.429 -8.625 -32.675 1.00 49.01 ? 40 TYR b C 1 +ATOM 28618 O O . TYR T 2 39 ? 30.612 -8.343 -33.560 1.00 52.97 ? 40 TYR b O 1 +ATOM 28619 C CB . TYR T 2 39 ? 30.640 -9.859 -30.635 1.00 47.66 ? 40 TYR b CB 1 +ATOM 28620 C CG . TYR T 2 39 ? 29.297 -9.193 -30.713 1.00 49.57 ? 40 TYR b CG 1 +ATOM 28621 C CD1 . TYR T 2 39 ? 28.146 -9.937 -30.972 1.00 48.59 ? 40 TYR b CD1 1 +ATOM 28622 C CD2 . TYR T 2 39 ? 29.170 -7.818 -30.521 1.00 48.40 ? 40 TYR b CD2 1 +ATOM 28623 C CE1 . TYR T 2 39 ? 26.908 -9.335 -31.023 1.00 58.06 ? 40 TYR b CE1 1 +ATOM 28624 C CE2 . TYR T 2 39 ? 27.938 -7.202 -30.570 1.00 48.89 ? 40 TYR b CE2 1 +ATOM 28625 C CZ . TYR T 2 39 ? 26.811 -7.961 -30.823 1.00 53.84 ? 40 TYR b CZ 1 +ATOM 28626 O OH . TYR T 2 39 ? 25.586 -7.355 -30.870 1.00 62.55 ? 40 TYR b OH 1 +ATOM 28627 N N . GLU T 2 40 ? 32.383 -7.765 -32.287 1.00 50.02 ? 41 GLU b N 1 +ATOM 28628 C CA . GLU T 2 40 ? 32.482 -6.461 -32.947 1.00 49.09 ? 41 GLU b CA 1 +ATOM 28629 C C . GLU T 2 40 ? 32.909 -6.616 -34.401 1.00 50.08 ? 41 GLU b C 1 +ATOM 28630 O O . GLU T 2 40 ? 32.378 -5.930 -35.283 1.00 51.05 ? 41 GLU b O 1 +ATOM 28631 C CB . GLU T 2 40 ? 33.440 -5.531 -32.181 1.00 48.82 ? 41 GLU b CB 1 +ATOM 28632 C CG . GLU T 2 40 ? 32.926 -5.147 -30.786 1.00 45.93 ? 41 GLU b CG 1 +ATOM 28633 C CD . GLU T 2 40 ? 33.767 -4.080 -30.079 1.00 52.76 ? 41 GLU b CD 1 +ATOM 28634 O OE1 . GLU T 2 40 ? 34.827 -3.676 -30.603 1.00 51.97 ? 41 GLU b OE1 1 +ATOM 28635 O OE2 . GLU T 2 40 ? 33.338 -3.632 -28.992 1.00 49.02 ? 41 GLU b OE2 1 +ATOM 28636 N N . LEU T 2 41 ? 33.853 -7.526 -34.675 1.00 48.66 ? 42 LEU b N 1 +ATOM 28637 C CA . LEU T 2 41 ? 34.251 -7.805 -36.060 1.00 52.33 ? 42 LEU b CA 1 +ATOM 28638 C C . LEU T 2 41 ? 33.093 -8.330 -36.907 1.00 51.78 ? 42 LEU b C 1 +ATOM 28639 O O . LEU T 2 41 ? 33.031 -8.044 -38.104 1.00 55.38 ? 42 LEU b O 1 +ATOM 28640 C CB . LEU T 2 41 ? 35.406 -8.811 -36.074 1.00 48.70 ? 42 LEU b CB 1 +ATOM 28641 C CG . LEU T 2 41 ? 36.708 -8.197 -35.563 1.00 66.34 ? 42 LEU b CG 1 +ATOM 28642 C CD1 . LEU T 2 41 ? 37.794 -9.245 -35.298 1.00 55.12 ? 42 LEU b CD1 1 +ATOM 28643 C CD2 . LEU T 2 41 ? 37.185 -7.134 -36.561 1.00 55.01 ? 42 LEU b CD2 1 +ATOM 28644 N N . ALA T 2 42 ? 32.186 -9.117 -36.316 1.00 47.07 ? 43 ALA b N 1 +ATOM 28645 C CA . ALA T 2 42 ? 31.042 -9.638 -37.055 1.00 53.18 ? 43 ALA b CA 1 +ATOM 28646 C C . ALA T 2 42 ? 30.037 -8.555 -37.408 1.00 46.48 ? 43 ALA b C 1 +ATOM 28647 O O . ALA T 2 42 ? 29.263 -8.730 -38.351 1.00 58.78 ? 43 ALA b O 1 +ATOM 28648 C CB . ALA T 2 42 ? 30.325 -10.726 -36.254 1.00 48.70 ? 43 ALA b CB 1 +ATOM 28649 N N . THR T 2 43 ? 30.023 -7.452 -36.670 1.00 46.31 ? 44 THR b N 1 +ATOM 28650 C CA . THR T 2 43 ? 29.033 -6.411 -36.870 1.00 49.81 ? 44 THR b CA 1 +ATOM 28651 C C . THR T 2 43 ? 29.631 -5.118 -37.405 1.00 50.81 ? 44 THR b C 1 +ATOM 28652 O O . THR T 2 43 ? 28.881 -4.251 -37.855 1.00 61.13 ? 44 THR b O 1 +ATOM 28653 C CB . THR T 2 43 ? 28.284 -6.142 -35.552 1.00 55.04 ? 44 THR b CB 1 +ATOM 28654 O OG1 . THR T 2 43 ? 29.178 -5.564 -34.605 1.00 63.81 ? 44 THR b OG1 1 +ATOM 28655 C CG2 . THR T 2 43 ? 27.774 -7.453 -34.953 1.00 52.23 ? 44 THR b CG2 1 +ATOM 28656 N N . PHE T 2 44 ? 30.953 -4.983 -37.410 1.00 56.43 ? 45 PHE b N 1 +ATOM 28657 C CA . PHE T 2 44 ? 31.587 -3.727 -37.792 1.00 51.09 ? 45 PHE b CA 1 +ATOM 28658 C C . PHE T 2 44 ? 31.582 -3.547 -39.301 1.00 52.22 ? 45 PHE b C 1 +ATOM 28659 O O . PHE T 2 44 ? 31.988 -4.441 -40.048 1.00 50.51 ? 45 PHE b O 1 +ATOM 28660 C CB . PHE T 2 44 ? 33.022 -3.687 -37.290 1.00 48.40 ? 45 PHE b CB 1 +ATOM 28661 C CG . PHE T 2 44 ? 33.759 -2.443 -37.663 1.00 53.87 ? 45 PHE b CG 1 +ATOM 28662 C CD1 . PHE T 2 44 ? 33.306 -1.196 -37.221 1.00 45.38 ? 45 PHE b CD1 1 +ATOM 28663 C CD2 . PHE T 2 44 ? 34.926 -2.514 -38.417 1.00 43.41 ? 45 PHE b CD2 1 +ATOM 28664 C CE1 . PHE T 2 44 ? 33.988 -0.036 -37.543 1.00 55.83 ? 45 PHE b CE1 1 +ATOM 28665 C CE2 . PHE T 2 44 ? 35.629 -1.353 -38.738 1.00 62.93 ? 45 PHE b CE2 1 +ATOM 28666 C CZ . PHE T 2 44 ? 35.157 -0.110 -38.301 1.00 58.11 ? 45 PHE b CZ 1 +ATOM 28667 N N . ASP T 2 45 ? 31.166 -2.367 -39.742 1.00 51.52 ? 46 ASP b N 1 +ATOM 28668 C CA . ASP T 2 45 ? 31.217 -2.004 -41.145 1.00 54.74 ? 46 ASP b CA 1 +ATOM 28669 C C . ASP T 2 45 ? 32.427 -1.113 -41.401 1.00 61.90 ? 46 ASP b C 1 +ATOM 28670 O O . ASP T 2 45 ? 32.406 0.062 -41.010 1.00 52.47 ? 46 ASP b O 1 +ATOM 28671 C CB . ASP T 2 45 ? 29.931 -1.288 -41.544 1.00 45.84 ? 46 ASP b CB 1 +ATOM 28672 C CG . ASP T 2 45 ? 29.962 -0.788 -42.984 1.00 57.11 ? 46 ASP b CG 1 +ATOM 28673 O OD1 . ASP T 2 45 ? 30.911 -1.101 -43.730 1.00 52.82 ? 46 ASP b OD1 1 +ATOM 28674 O OD2 . ASP T 2 45 ? 29.033 -0.061 -43.362 1.00 71.95 ? 46 ASP b OD2 1 +ATOM 28675 N N . PRO T 2 46 ? 33.472 -1.594 -42.076 1.00 61.45 ? 47 PRO b N 1 +ATOM 28676 C CA . PRO T 2 46 ? 34.664 -0.767 -42.313 1.00 47.36 ? 47 PRO b CA 1 +ATOM 28677 C C . PRO T 2 46 ? 34.594 0.116 -43.549 1.00 54.39 ? 47 PRO b C 1 +ATOM 28678 O O . PRO T 2 46 ? 35.610 0.710 -43.923 1.00 61.43 ? 47 PRO b O 1 +ATOM 28679 C CB . PRO T 2 46 ? 35.762 -1.821 -42.474 1.00 55.62 ? 47 PRO b CB 1 +ATOM 28680 C CG . PRO T 2 46 ? 35.054 -2.938 -43.177 1.00 56.56 ? 47 PRO b CG 1 +ATOM 28681 C CD . PRO T 2 46 ? 33.637 -2.953 -42.623 1.00 54.24 ? 47 PRO b CD 1 +ATOM 28682 N N . SER T 2 47 ? 33.436 0.262 -44.178 1.00 52.58 ? 48 SER b N 1 +ATOM 28683 C CA . SER T 2 47 ? 33.478 0.826 -45.518 1.00 53.88 ? 48 SER b CA 1 +ATOM 28684 C C . SER T 2 47 ? 33.530 2.356 -45.544 1.00 60.22 ? 48 SER b C 1 +ATOM 28685 O O . SER T 2 47 ? 33.803 2.913 -46.604 1.00 61.90 ? 48 SER b O 1 +ATOM 28686 C CB . SER T 2 47 ? 32.291 0.320 -46.340 1.00 42.36 ? 48 SER b CB 1 +ATOM 28687 O OG . SER T 2 47 ? 31.072 0.822 -45.841 1.00 64.06 ? 48 SER b OG 1 +ATOM 28688 N N . ASP T 2 48 ? 33.306 3.053 -44.428 1.00 61.11 ? 49 ASP b N 1 +ATOM 28689 C CA . ASP T 2 48 ? 33.335 4.519 -44.425 1.00 56.93 ? 49 ASP b CA 1 +ATOM 28690 C C . ASP T 2 48 ? 33.910 5.062 -43.114 1.00 61.14 ? 49 ASP b C 1 +ATOM 28691 O O . ASP T 2 48 ? 33.171 5.372 -42.167 1.00 50.90 ? 49 ASP b O 1 +ATOM 28692 C CB . ASP T 2 48 ? 31.945 5.097 -44.682 1.00 47.16 ? 49 ASP b CB 1 +ATOM 28693 C CG . ASP T 2 48 ? 31.951 6.593 -44.734 1.00 51.99 ? 49 ASP b CG 1 +ATOM 28694 O OD1 . ASP T 2 48 ? 33.055 7.185 -44.739 1.00 54.94 ? 49 ASP b OD1 1 +ATOM 28695 O OD2 . ASP T 2 48 ? 30.854 7.193 -44.758 1.00 60.06 ? 49 ASP b OD2 1 +ATOM 28696 N N . PRO T 2 49 ? 35.235 5.231 -43.041 1.00 60.07 ? 50 PRO b N 1 +ATOM 28697 C CA . PRO T 2 49 ? 35.839 5.782 -41.819 1.00 52.34 ? 50 PRO b CA 1 +ATOM 28698 C C . PRO T 2 49 ? 35.570 7.256 -41.615 1.00 61.19 ? 50 PRO b C 1 +ATOM 28699 O O . PRO T 2 49 ? 35.990 7.803 -40.584 1.00 64.62 ? 50 PRO b O 1 +ATOM 28700 C CB . PRO T 2 49 ? 37.345 5.527 -42.016 1.00 55.68 ? 50 PRO b CB 1 +ATOM 28701 C CG . PRO T 2 49 ? 37.524 5.305 -43.456 1.00 59.45 ? 50 PRO b CG 1 +ATOM 28702 C CD . PRO T 2 49 ? 36.244 4.716 -43.977 1.00 51.33 ? 50 PRO b CD 1 +ATOM 28703 N N . VAL T 2 50 ? 34.875 7.906 -42.546 1.00 57.50 ? 51 VAL b N 1 +ATOM 28704 C CA . VAL T 2 50 ? 34.635 9.338 -42.461 1.00 57.40 ? 51 VAL b CA 1 +ATOM 28705 C C . VAL T 2 50 ? 33.310 9.583 -41.754 1.00 61.56 ? 51 VAL b C 1 +ATOM 28706 O O . VAL T 2 50 ? 33.282 10.224 -40.699 1.00 59.25 ? 51 VAL b O 1 +ATOM 28707 C CB . VAL T 2 50 ? 34.654 10.002 -43.853 1.00 62.59 ? 51 VAL b CB 1 +ATOM 28708 C CG1 . VAL T 2 50 ? 34.200 11.427 -43.757 1.00 51.36 ? 51 VAL b CG1 1 +ATOM 28709 C CG2 . VAL T 2 50 ? 36.037 9.943 -44.432 1.00 56.51 ? 51 VAL b CG2 1 +ATOM 28710 N N . LEU T 2 51 ? 32.204 9.082 -42.320 1.00 52.99 ? 52 LEU b N 1 +ATOM 28711 C CA . LEU T 2 51 ? 30.893 9.333 -41.737 1.00 53.85 ? 52 LEU b CA 1 +ATOM 28712 C C . LEU T 2 51 ? 30.338 8.152 -40.952 1.00 56.89 ? 52 LEU b C 1 +ATOM 28713 O O . LEU T 2 51 ? 29.293 8.298 -40.306 1.00 51.63 ? 52 LEU b O 1 +ATOM 28714 C CB . LEU T 2 51 ? 29.887 9.743 -42.818 1.00 48.44 ? 52 LEU b CB 1 +ATOM 28715 C CG . LEU T 2 51 ? 30.237 11.076 -43.499 1.00 50.29 ? 52 LEU b CG 1 +ATOM 28716 C CD1 . LEU T 2 51 ? 29.178 11.475 -44.508 1.00 48.96 ? 52 LEU b CD1 1 +ATOM 28717 C CD2 . LEU T 2 51 ? 30.452 12.182 -42.445 1.00 57.15 ? 52 LEU b CD2 1 +ATOM 28718 N N . ASN T 2 52 ? 31.000 6.995 -40.970 1.00 49.51 ? 53 ASN b N 1 +ATOM 28719 C CA . ASN T 2 52 ? 30.576 5.857 -40.152 1.00 49.83 ? 53 ASN b CA 1 +ATOM 28720 C C . ASN T 2 52 ? 31.781 5.213 -39.462 1.00 49.84 ? 53 ASN b C 1 +ATOM 28721 O O . ASN T 2 52 ? 32.033 4.014 -39.608 1.00 47.92 ? 53 ASN b O 1 +ATOM 28722 C CB . ASN T 2 52 ? 29.813 4.836 -41.002 1.00 40.36 ? 53 ASN b CB 1 +ATOM 28723 C CG . ASN T 2 52 ? 29.049 3.842 -40.154 1.00 46.27 ? 53 ASN b CG 1 +ATOM 28724 O OD1 . ASN T 2 52 ? 28.730 4.121 -38.992 1.00 51.41 ? 53 ASN b OD1 1 +ATOM 28725 N ND2 . ASN T 2 52 ? 28.770 2.672 -40.709 1.00 50.77 ? 53 ASN b ND2 1 +ATOM 28726 N N . PRO T 2 53 ? 32.529 5.978 -38.667 1.00 57.03 ? 54 PRO b N 1 +ATOM 28727 C CA . PRO T 2 53 ? 33.647 5.383 -37.925 1.00 54.24 ? 54 PRO b CA 1 +ATOM 28728 C C . PRO T 2 53 ? 33.157 4.475 -36.803 1.00 57.01 ? 54 PRO b C 1 +ATOM 28729 O O . PRO T 2 53 ? 31.974 4.437 -36.448 1.00 48.82 ? 54 PRO b O 1 +ATOM 28730 C CB . PRO T 2 53 ? 34.383 6.605 -37.353 1.00 56.22 ? 54 PRO b CB 1 +ATOM 28731 C CG . PRO T 2 53 ? 33.296 7.599 -37.157 1.00 46.70 ? 54 PRO b CG 1 +ATOM 28732 C CD . PRO T 2 53 ? 32.362 7.408 -38.323 1.00 50.15 ? 54 PRO b CD 1 +ATOM 28733 N N . MET T 2 54 ? 34.127 3.787 -36.192 1.00 47.43 ? 55 MET b N 1 +ATOM 28734 C CA . MET T 2 54 ? 33.831 2.797 -35.168 1.00 44.59 ? 55 MET b CA 1 +ATOM 28735 C C . MET T 2 54 ? 32.985 3.364 -34.030 1.00 52.27 ? 55 MET b C 1 +ATOM 28736 O O . MET T 2 54 ? 32.124 2.659 -33.494 1.00 48.30 ? 55 MET b O 1 +ATOM 28737 C CB . MET T 2 54 ? 35.130 2.198 -34.617 1.00 49.30 ? 55 MET b CB 1 +ATOM 28738 C CG . MET T 2 54 ? 36.108 3.215 -34.010 1.00 52.30 ? 55 MET b CG 1 +ATOM 28739 S SD . MET T 2 54 ? 37.579 2.402 -33.345 1.00 56.37 ? 55 MET b SD 1 +ATOM 28740 C CE . MET T 2 54 ? 38.601 2.068 -34.761 1.00 53.04 ? 55 MET b CE 1 +ATOM 28741 N N . TRP T 2 55 ? 33.200 4.631 -33.642 1.00 49.05 ? 56 TRP b N 1 +ATOM 28742 C CA . TRP T 2 55 ? 32.503 5.114 -32.447 1.00 57.25 ? 56 TRP b CA 1 +ATOM 28743 C C . TRP T 2 55 ? 31.031 5.425 -32.715 1.00 49.63 ? 56 TRP b C 1 +ATOM 28744 O O . TRP T 2 55 ? 30.267 5.625 -31.764 1.00 49.84 ? 56 TRP b O 1 +ATOM 28745 C CB . TRP T 2 55 ? 33.221 6.349 -31.830 1.00 45.87 ? 56 TRP b CB 1 +ATOM 28746 C CG . TRP T 2 55 ? 33.564 7.441 -32.808 1.00 53.27 ? 56 TRP b CG 1 +ATOM 28747 C CD1 . TRP T 2 55 ? 34.741 7.587 -33.493 1.00 47.54 ? 56 TRP b CD1 1 +ATOM 28748 C CD2 . TRP T 2 55 ? 32.721 8.531 -33.226 1.00 47.35 ? 56 TRP b CD2 1 +ATOM 28749 N NE1 . TRP T 2 55 ? 34.675 8.682 -34.316 1.00 48.07 ? 56 TRP b NE1 1 +ATOM 28750 C CE2 . TRP T 2 55 ? 33.453 9.284 -34.170 1.00 45.37 ? 56 TRP b CE2 1 +ATOM 28751 C CE3 . TRP T 2 55 ? 31.423 8.932 -32.901 1.00 45.52 ? 56 TRP b CE3 1 +ATOM 28752 C CZ2 . TRP T 2 55 ? 32.937 10.433 -34.781 1.00 46.27 ? 56 TRP b CZ2 1 +ATOM 28753 C CZ3 . TRP T 2 55 ? 30.912 10.066 -33.503 1.00 44.78 ? 56 TRP b CZ3 1 +ATOM 28754 C CH2 . TRP T 2 55 ? 31.665 10.803 -34.439 1.00 48.99 ? 56 TRP b CH2 1 +ATOM 28755 N N . ARG T 2 56 ? 30.622 5.464 -33.980 1.00 46.65 ? 57 ARG b N 1 +ATOM 28756 C CA . ARG T 2 56 ? 29.211 5.556 -34.343 1.00 52.67 ? 57 ARG b CA 1 +ATOM 28757 C C . ARG T 2 56 ? 28.523 4.206 -34.280 1.00 53.03 ? 57 ARG b C 1 +ATOM 28758 O O . ARG T 2 56 ? 27.284 4.142 -34.247 1.00 46.18 ? 57 ARG b O 1 +ATOM 28759 C CB . ARG T 2 56 ? 29.065 6.131 -35.765 1.00 47.12 ? 57 ARG b CB 1 +ATOM 28760 C CG . ARG T 2 56 ? 29.469 7.629 -35.908 1.00 49.69 ? 57 ARG b CG 1 +ATOM 28761 C CD . ARG T 2 56 ? 28.376 8.581 -35.442 1.00 42.49 ? 57 ARG b CD 1 +ATOM 28762 N NE . ARG T 2 56 ? 27.117 8.337 -36.132 1.00 51.17 ? 57 ARG b NE 1 +ATOM 28763 C CZ . ARG T 2 56 ? 25.954 8.887 -35.799 1.00 55.79 ? 57 ARG b CZ 1 +ATOM 28764 N NH1 . ARG T 2 56 ? 25.877 9.846 -34.891 1.00 49.76 ? 57 ARG b NH1 1 +ATOM 28765 N NH2 . ARG T 2 56 ? 24.839 8.468 -36.398 1.00 49.30 ? 57 ARG b NH2 1 +ATOM 28766 N N . GLN T 2 57 ? 29.309 3.136 -34.265 1.00 44.08 ? 58 GLN b N 1 +ATOM 28767 C CA . GLN T 2 57 ? 28.835 1.782 -34.477 1.00 44.83 ? 58 GLN b CA 1 +ATOM 28768 C C . GLN T 2 57 ? 28.763 0.986 -33.190 1.00 48.67 ? 58 GLN b C 1 +ATOM 28769 O O . GLN T 2 57 ? 28.541 -0.234 -33.234 1.00 48.71 ? 58 GLN b O 1 +ATOM 28770 C CB . GLN T 2 57 ? 29.742 1.078 -35.482 1.00 46.32 ? 58 GLN b CB 1 +ATOM 28771 C CG . GLN T 2 57 ? 29.708 1.704 -36.890 1.00 47.60 ? 58 GLN b CG 1 +ATOM 28772 C CD . GLN T 2 57 ? 30.460 0.858 -37.910 1.00 54.46 ? 58 GLN b CD 1 +ATOM 28773 O OE1 . GLN T 2 57 ? 30.327 -0.367 -37.932 1.00 50.91 ? 58 GLN b OE1 1 +ATOM 28774 N NE2 . GLN T 2 57 ? 31.270 1.511 -38.749 1.00 51.62 ? 58 GLN b NE2 1 +ATOM 28775 N N . GLY T 2 58 ? 28.959 1.648 -32.049 1.00 54.16 ? 59 GLY b N 1 +ATOM 28776 C CA . GLY T 2 58 ? 28.913 0.989 -30.756 1.00 47.64 ? 59 GLY b CA 1 +ATOM 28777 C C . GLY T 2 58 ? 30.116 0.133 -30.453 1.00 49.80 ? 59 GLY b C 1 +ATOM 28778 O O . GLY T 2 58 ? 30.018 -0.771 -29.625 1.00 52.40 ? 59 GLY b O 1 +ATOM 28779 N N . MET T 2 59 ? 31.249 0.386 -31.106 1.00 50.49 ? 60 MET b N 1 +ATOM 28780 C CA . MET T 2 59 ? 32.461 -0.390 -30.871 1.00 44.52 ? 60 MET b CA 1 +ATOM 28781 C C . MET T 2 59 ? 33.133 0.072 -29.578 1.00 50.41 ? 60 MET b C 1 +ATOM 28782 O O . MET T 2 59 ? 33.292 1.268 -29.343 1.00 49.64 ? 60 MET b O 1 +ATOM 28783 C CB . MET T 2 59 ? 33.410 -0.242 -32.065 1.00 44.76 ? 60 MET b CB 1 +ATOM 28784 C CG . MET T 2 59 ? 32.763 -0.693 -33.390 1.00 48.89 ? 60 MET b CG 1 +ATOM 28785 S SD . MET T 2 59 ? 32.467 -2.491 -33.415 1.00 52.01 ? 60 MET b SD 1 +ATOM 28786 C CE . MET T 2 59 ? 30.839 -2.622 -34.172 1.00 48.52 ? 60 MET b CE 1 +ATOM 28787 N N . PHE T 2 60 ? 33.510 -0.876 -28.743 1.00 47.24 ? 61 PHE b N 1 +ATOM 28788 C CA . PHE T 2 60 ? 34.087 -0.644 -27.424 1.00 47.13 ? 61 PHE b CA 1 +ATOM 28789 C C . PHE T 2 60 ? 35.503 -1.191 -27.275 1.00 50.39 ? 61 PHE b C 1 +ATOM 28790 O O . PHE T 2 60 ? 36.344 -0.523 -26.685 1.00 53.77 ? 61 PHE b O 1 +ATOM 28791 C CB . PHE T 2 60 ? 33.163 -1.262 -26.357 1.00 50.84 ? 61 PHE b CB 1 +ATOM 28792 C CG . PHE T 2 60 ? 33.598 -1.006 -24.940 1.00 54.30 ? 61 PHE b CG 1 +ATOM 28793 C CD1 . PHE T 2 60 ? 33.816 0.280 -24.485 1.00 49.50 ? 61 PHE b CD1 1 +ATOM 28794 C CD2 . PHE T 2 60 ? 33.755 -2.061 -24.052 1.00 55.49 ? 61 PHE b CD2 1 +ATOM 28795 C CE1 . PHE T 2 60 ? 34.201 0.500 -23.177 1.00 59.03 ? 61 PHE b CE1 1 +ATOM 28796 C CE2 . PHE T 2 60 ? 34.144 -1.846 -22.749 1.00 49.41 ? 61 PHE b CE2 1 +ATOM 28797 C CZ . PHE T 2 60 ? 34.364 -0.565 -22.310 1.00 58.00 ? 61 PHE b CZ 1 +ATOM 28798 N N . VAL T 2 61 ? 35.804 -2.393 -27.784 1.00 48.77 ? 62 VAL b N 1 +ATOM 28799 C CA . VAL T 2 61 ? 37.172 -2.896 -27.672 1.00 47.40 ? 62 VAL b CA 1 +ATOM 28800 C C . VAL T 2 61 ? 37.988 -2.601 -28.923 1.00 48.89 ? 62 VAL b C 1 +ATOM 28801 O O . VAL T 2 61 ? 39.210 -2.473 -28.834 1.00 57.08 ? 62 VAL b O 1 +ATOM 28802 C CB . VAL T 2 61 ? 37.236 -4.400 -27.332 1.00 48.87 ? 62 VAL b CB 1 +ATOM 28803 C CG1 . VAL T 2 61 ? 36.804 -4.631 -25.901 1.00 46.66 ? 62 VAL b CG1 1 +ATOM 28804 C CG2 . VAL T 2 61 ? 36.430 -5.246 -28.341 1.00 49.98 ? 62 VAL b CG2 1 +ATOM 28805 N N . LEU T 2 62 ? 37.343 -2.505 -30.086 1.00 47.09 ? 63 LEU b N 1 +ATOM 28806 C CA . LEU T 2 62 ? 38.052 -2.086 -31.294 1.00 53.48 ? 63 LEU b CA 1 +ATOM 28807 C C . LEU T 2 62 ? 38.928 -0.849 -31.071 1.00 62.11 ? 63 LEU b C 1 +ATOM 28808 O O . LEU T 2 62 ? 40.121 -0.895 -31.428 1.00 51.44 ? 63 LEU b O 1 +ATOM 28809 C CB . LEU T 2 62 ? 37.041 -1.861 -32.429 1.00 52.88 ? 63 LEU b CB 1 +ATOM 28810 C CG . LEU T 2 62 ? 37.338 -2.471 -33.805 1.00 60.73 ? 63 LEU b CG 1 +ATOM 28811 C CD1 . LEU T 2 62 ? 37.405 -3.984 -33.704 1.00 58.50 ? 63 LEU b CD1 1 +ATOM 28812 C CD2 . LEU T 2 62 ? 36.273 -2.078 -34.807 1.00 64.15 ? 63 LEU b CD2 1 +ATOM 28813 N N . PRO T 2 63 ? 38.434 0.257 -30.483 1.00 49.30 ? 64 PRO b N 1 +ATOM 28814 C CA . PRO T 2 63 ? 39.319 1.424 -30.262 1.00 60.79 ? 64 PRO b CA 1 +ATOM 28815 C C . PRO T 2 63 ? 40.522 1.146 -29.372 1.00 49.04 ? 64 PRO b C 1 +ATOM 28816 O O . PRO T 2 63 ? 41.541 1.831 -29.510 1.00 54.59 ? 64 PRO b O 1 +ATOM 28817 C CB . PRO T 2 63 ? 38.384 2.460 -29.611 1.00 48.39 ? 64 PRO b CB 1 +ATOM 28818 C CG . PRO T 2 63 ? 37.302 1.638 -28.992 1.00 54.42 ? 64 PRO b CG 1 +ATOM 28819 C CD . PRO T 2 63 ? 37.069 0.540 -30.009 1.00 49.32 ? 64 PRO b CD 1 +ATOM 28820 N N . PHE T 2 64 ? 40.440 0.169 -28.461 1.00 50.10 ? 65 PHE b N 1 +ATOM 28821 C CA . PHE T 2 64 ? 41.580 -0.133 -27.602 1.00 49.83 ? 65 PHE b CA 1 +ATOM 28822 C C . PHE T 2 64 ? 42.640 -0.948 -28.327 1.00 55.49 ? 65 PHE b C 1 +ATOM 28823 O O . PHE T 2 64 ? 43.825 -0.865 -27.984 1.00 53.66 ? 65 PHE b O 1 +ATOM 28824 C CB . PHE T 2 64 ? 41.122 -0.857 -26.328 1.00 48.85 ? 65 PHE b CB 1 +ATOM 28825 C CG . PHE T 2 64 ? 40.442 0.036 -25.372 1.00 52.79 ? 65 PHE b CG 1 +ATOM 28826 C CD1 . PHE T 2 64 ? 41.189 0.801 -24.471 1.00 51.38 ? 65 PHE b CD1 1 +ATOM 28827 C CD2 . PHE T 2 64 ? 39.063 0.171 -25.402 1.00 45.22 ? 65 PHE b CD2 1 +ATOM 28828 C CE1 . PHE T 2 64 ? 40.564 1.678 -23.593 1.00 49.43 ? 65 PHE b CE1 1 +ATOM 28829 C CE2 . PHE T 2 64 ? 38.423 1.043 -24.535 1.00 50.24 ? 65 PHE b CE2 1 +ATOM 28830 C CZ . PHE T 2 64 ? 39.179 1.800 -23.614 1.00 54.16 ? 65 PHE b CZ 1 +ATOM 28831 N N . MET T 2 65 ? 42.248 -1.733 -29.326 1.00 51.93 ? 66 MET b N 1 +ATOM 28832 C CA . MET T 2 65 ? 43.257 -2.377 -30.152 1.00 50.38 ? 66 MET b CA 1 +ATOM 28833 C C . MET T 2 65 ? 43.940 -1.353 -31.055 1.00 57.89 ? 66 MET b C 1 +ATOM 28834 O O . MET T 2 65 ? 45.171 -1.362 -31.191 1.00 54.03 ? 66 MET b O 1 +ATOM 28835 C CB . MET T 2 65 ? 42.623 -3.518 -30.954 1.00 49.38 ? 66 MET b CB 1 +ATOM 28836 C CG . MET T 2 65 ? 42.397 -4.793 -30.140 1.00 47.87 ? 66 MET b CG 1 +ATOM 28837 S SD . MET T 2 65 ? 41.546 -6.146 -31.021 1.00 54.79 ? 66 MET b SD 1 +ATOM 28838 C CE . MET T 2 65 ? 39.867 -5.522 -31.038 1.00 49.81 ? 66 MET b CE 1 +ATOM 28839 N N . ALA T 2 66 ? 43.155 -0.434 -31.635 1.00 46.77 ? 67 ALA b N 1 +ATOM 28840 C CA . ALA T 2 66 ? 43.692 0.588 -32.525 1.00 45.66 ? 67 ALA b CA 1 +ATOM 28841 C C . ALA T 2 66 ? 44.617 1.564 -31.797 1.00 52.98 ? 67 ALA b C 1 +ATOM 28842 O O . ALA T 2 66 ? 45.610 2.025 -32.373 1.00 50.53 ? 67 ALA b O 1 +ATOM 28843 C CB . ALA T 2 66 ? 42.548 1.346 -33.189 1.00 44.71 ? 67 ALA b CB 1 +ATOM 28844 N N . ARG T 2 67 ? 44.290 1.916 -30.546 1.00 55.28 ? 68 ARG b N 1 +ATOM 28845 C CA . ARG T 2 67 ? 45.105 2.867 -29.791 1.00 56.34 ? 68 ARG b CA 1 +ATOM 28846 C C . ARG T 2 67 ? 46.570 2.439 -29.742 1.00 52.67 ? 68 ARG b C 1 +ATOM 28847 O O . ARG T 2 67 ? 47.477 3.273 -29.841 1.00 50.78 ? 68 ARG b O 1 +ATOM 28848 C CB . ARG T 2 67 ? 44.553 3.024 -28.372 1.00 52.35 ? 68 ARG b CB 1 +ATOM 28849 C CG . ARG T 2 67 ? 45.259 4.101 -27.540 1.00 58.90 ? 68 ARG b CG 1 +ATOM 28850 C CD . ARG T 2 67 ? 44.491 4.441 -26.278 1.00 50.91 ? 68 ARG b CD 1 +ATOM 28851 N NE . ARG T 2 67 ? 44.497 3.352 -25.303 1.00 54.08 ? 68 ARG b NE 1 +ATOM 28852 C CZ . ARG T 2 67 ? 44.009 3.464 -24.075 1.00 53.81 ? 68 ARG b CZ 1 +ATOM 28853 N NH1 . ARG T 2 67 ? 43.411 4.576 -23.669 1.00 46.79 ? 68 ARG b NH1 1 +ATOM 28854 N NH2 . ARG T 2 67 ? 44.150 2.447 -23.227 1.00 49.55 ? 68 ARG b NH2 1 +ATOM 28855 N N . LEU T 2 68 ? 46.822 1.141 -29.628 1.00 52.62 ? 69 LEU b N 1 +ATOM 28856 C CA . LEU T 2 68 ? 48.176 0.645 -29.437 1.00 56.31 ? 69 LEU b CA 1 +ATOM 28857 C C . LEU T 2 68 ? 48.783 0.030 -30.697 1.00 55.47 ? 69 LEU b C 1 +ATOM 28858 O O . LEU T 2 68 ? 49.831 -0.609 -30.609 1.00 60.96 ? 69 LEU b O 1 +ATOM 28859 C CB . LEU T 2 68 ? 48.204 -0.364 -28.297 1.00 54.18 ? 69 LEU b CB 1 +ATOM 28860 C CG . LEU T 2 68 ? 47.968 0.205 -26.889 1.00 54.75 ? 69 LEU b CG 1 +ATOM 28861 C CD1 . LEU T 2 68 ? 47.939 -0.939 -25.881 1.00 48.85 ? 69 LEU b CD1 1 +ATOM 28862 C CD2 . LEU T 2 68 ? 49.029 1.210 -26.513 1.00 47.92 ? 69 LEU b CD2 1 +ATOM 28863 N N . GLY T 2 69 ? 48.168 0.212 -31.861 1.00 53.08 ? 70 GLY b N 1 +ATOM 28864 C CA . GLY T 2 69 ? 48.802 -0.170 -33.112 1.00 55.41 ? 70 GLY b CA 1 +ATOM 28865 C C . GLY T 2 69 ? 48.096 -1.218 -33.949 1.00 54.37 ? 70 GLY b C 1 +ATOM 28866 O O . GLY T 2 69 ? 48.498 -1.416 -35.102 1.00 60.17 ? 70 GLY b O 1 +ATOM 28867 N N . VAL T 2 70 ? 47.077 -1.917 -33.460 1.00 57.11 ? 71 VAL b N 1 +ATOM 28868 C CA . VAL T 2 70 ? 46.376 -2.913 -34.271 1.00 55.27 ? 71 VAL b CA 1 +ATOM 28869 C C . VAL T 2 70 ? 45.279 -2.198 -35.049 1.00 52.77 ? 71 VAL b C 1 +ATOM 28870 O O . VAL T 2 70 ? 44.282 -1.764 -34.471 1.00 58.63 ? 71 VAL b O 1 +ATOM 28871 C CB . VAL T 2 70 ? 45.807 -4.048 -33.411 1.00 55.42 ? 71 VAL b CB 1 +ATOM 28872 C CG1 . VAL T 2 70 ? 45.050 -5.048 -34.281 1.00 54.24 ? 71 VAL b CG1 1 +ATOM 28873 C CG2 . VAL T 2 70 ? 46.936 -4.748 -32.664 1.00 61.08 ? 71 VAL b CG2 1 +ATOM 28874 N N . THR T 2 71 ? 45.458 -2.085 -36.367 1.00 49.71 ? 72 THR b N 1 +ATOM 28875 C CA . THR T 2 71 ? 44.561 -1.319 -37.212 1.00 51.50 ? 72 THR b CA 1 +ATOM 28876 C C . THR T 2 71 ? 44.006 -2.077 -38.410 1.00 62.11 ? 72 THR b C 1 +ATOM 28877 O O . THR T 2 71 ? 43.224 -1.491 -39.174 1.00 56.52 ? 72 THR b O 1 +ATOM 28878 C CB . THR T 2 71 ? 45.273 -0.072 -37.756 1.00 63.27 ? 72 THR b CB 1 +ATOM 28879 O OG1 . THR T 2 71 ? 46.397 -0.494 -38.526 1.00 61.81 ? 72 THR b OG1 1 +ATOM 28880 C CG2 . THR T 2 71 ? 45.752 0.823 -36.623 1.00 62.98 ? 72 THR b CG2 1 +ATOM 28881 N N . GLY T 2 72 ? 44.403 -3.331 -38.629 1.00 53.73 ? 73 GLY b N 1 +ATOM 28882 C CA . GLY T 2 72 ? 44.080 -4.007 -39.863 1.00 57.53 ? 73 GLY b CA 1 +ATOM 28883 C C . GLY T 2 72 ? 43.386 -5.336 -39.639 1.00 53.30 ? 73 GLY b C 1 +ATOM 28884 O O . GLY T 2 72 ? 43.495 -5.957 -38.585 1.00 56.95 ? 73 GLY b O 1 +ATOM 28885 N N . SER T 2 73 ? 42.688 -5.779 -40.678 1.00 63.83 ? 74 SER b N 1 +ATOM 28886 C CA . SER T 2 73 ? 42.021 -7.074 -40.702 1.00 54.07 ? 74 SER b CA 1 +ATOM 28887 C C . SER T 2 73 ? 42.759 -8.025 -41.634 1.00 50.57 ? 74 SER b C 1 +ATOM 28888 O O . SER T 2 73 ? 43.345 -7.606 -42.637 1.00 56.76 ? 74 SER b O 1 +ATOM 28889 C CB . SER T 2 73 ? 40.568 -6.915 -41.165 1.00 49.53 ? 74 SER b CB 1 +ATOM 28890 O OG . SER T 2 73 ? 39.934 -8.154 -41.380 1.00 50.68 ? 74 SER b OG 1 +ATOM 28891 N N . TRP T 2 74 ? 42.740 -9.319 -41.290 1.00 54.86 ? 75 TRP b N 1 +ATOM 28892 C CA . TRP T 2 74 ? 43.196 -10.326 -42.244 1.00 59.13 ? 75 TRP b CA 1 +ATOM 28893 C C . TRP T 2 74 ? 42.413 -10.269 -43.547 1.00 50.83 ? 75 TRP b C 1 +ATOM 28894 O O . TRP T 2 74 ? 42.912 -10.736 -44.570 1.00 56.17 ? 75 TRP b O 1 +ATOM 28895 C CB . TRP T 2 74 ? 43.073 -11.741 -41.675 1.00 55.23 ? 75 TRP b CB 1 +ATOM 28896 C CG . TRP T 2 74 ? 44.060 -12.083 -40.647 1.00 50.33 ? 75 TRP b CG 1 +ATOM 28897 C CD1 . TRP T 2 74 ? 45.268 -11.492 -40.441 1.00 51.23 ? 75 TRP b CD1 1 +ATOM 28898 C CD2 . TRP T 2 74 ? 43.932 -13.111 -39.658 1.00 54.88 ? 75 TRP b CD2 1 +ATOM 28899 N NE1 . TRP T 2 74 ? 45.910 -12.095 -39.380 1.00 55.97 ? 75 TRP b NE1 1 +ATOM 28900 C CE2 . TRP T 2 74 ? 45.108 -13.083 -38.875 1.00 56.08 ? 75 TRP b CE2 1 +ATOM 28901 C CE3 . TRP T 2 74 ? 42.940 -14.055 -39.362 1.00 49.43 ? 75 TRP b CE3 1 +ATOM 28902 C CZ2 . TRP T 2 74 ? 45.324 -13.966 -37.810 1.00 51.68 ? 75 TRP b CZ2 1 +ATOM 28903 C CZ3 . TRP T 2 74 ? 43.147 -14.927 -38.301 1.00 55.12 ? 75 TRP b CZ3 1 +ATOM 28904 C CH2 . TRP T 2 74 ? 44.332 -14.878 -37.535 1.00 54.95 ? 75 TRP b CH2 1 +ATOM 28905 N N . SER T 2 75 ? 41.213 -9.709 -43.540 0.50 37.47 ? 76 SER b N 1 +ATOM 28906 C CA A SER T 2 75 ? 40.383 -9.609 -44.730 0.50 48.71 ? 76 SER b CA 1 +ATOM 28907 C CA B SER T 2 75 ? 40.422 -9.657 -44.762 0.50 48.70 ? 76 SER b CA 1 +ATOM 28908 C C . SER T 2 75 ? 40.815 -8.500 -45.682 0.50 37.81 ? 76 SER b C 1 +ATOM 28909 O O . SER T 2 75 ? 40.203 -8.341 -46.743 0.50 37.60 ? 76 SER b O 1 +ATOM 28910 C CB A SER T 2 75 ? 38.925 -9.393 -44.336 0.50 50.02 ? 76 SER b CB 1 +ATOM 28911 C CB B SER T 2 75 ? 38.928 -9.609 -44.416 0.50 50.47 ? 76 SER b CB 1 +ATOM 28912 O OG A SER T 2 75 ? 38.129 -9.344 -45.502 0.50 67.94 ? 76 SER b OG 1 +ATOM 28913 O OG B SER T 2 75 ? 38.527 -8.371 -43.886 0.50 46.88 ? 76 SER b OG 1 +ATOM 28914 N N . GLY T 2 76 ? 41.824 -7.718 -45.309 1.00 50.40 ? 77 GLY b N 1 +ATOM 28915 C CA . GLY T 2 76 ? 42.454 -6.761 -46.194 1.00 51.96 ? 77 GLY b CA 1 +ATOM 28916 C C . GLY T 2 76 ? 42.111 -5.299 -45.985 1.00 68.80 ? 77 GLY b C 1 +ATOM 28917 O O . GLY T 2 76 ? 42.668 -4.466 -46.715 1.00 61.62 ? 77 GLY b O 1 +ATOM 28918 N N . TRP T 2 77 ? 41.215 -4.944 -45.059 1.00 53.28 ? 78 TRP b N 1 +ATOM 28919 C CA . TRP T 2 77 ? 40.897 -3.543 -44.797 1.00 52.95 ? 78 TRP b CA 1 +ATOM 28920 C C . TRP T 2 77 ? 41.636 -3.021 -43.562 1.00 51.37 ? 78 TRP b C 1 +ATOM 28921 O O . TRP T 2 77 ? 42.166 -3.780 -42.751 1.00 51.78 ? 78 TRP b O 1 +ATOM 28922 C CB . TRP T 2 77 ? 39.387 -3.337 -44.616 1.00 57.68 ? 78 TRP b CB 1 +ATOM 28923 C CG . TRP T 2 77 ? 38.694 -4.235 -43.600 1.00 65.85 ? 78 TRP b CG 1 +ATOM 28924 C CD1 . TRP T 2 77 ? 37.996 -5.391 -43.870 1.00 55.25 ? 78 TRP b CD1 1 +ATOM 28925 C CD2 . TRP T 2 77 ? 38.606 -4.040 -42.177 1.00 47.55 ? 78 TRP b CD2 1 +ATOM 28926 N NE1 . TRP T 2 77 ? 37.497 -5.930 -42.703 1.00 57.46 ? 78 TRP b NE1 1 +ATOM 28927 C CE2 . TRP T 2 77 ? 37.849 -5.119 -41.651 1.00 61.24 ? 78 TRP b CE2 1 +ATOM 28928 C CE3 . TRP T 2 77 ? 39.102 -3.078 -41.298 1.00 55.64 ? 78 TRP b CE3 1 +ATOM 28929 C CZ2 . TRP T 2 77 ? 37.581 -5.253 -40.280 1.00 50.17 ? 78 TRP b CZ2 1 +ATOM 28930 C CZ3 . TRP T 2 77 ? 38.832 -3.206 -39.936 1.00 50.62 ? 78 TRP b CZ3 1 +ATOM 28931 C CH2 . TRP T 2 77 ? 38.076 -4.281 -39.442 1.00 57.43 ? 78 TRP b CH2 1 +ATOM 28932 N N . SER T 2 78 ? 41.675 -1.694 -43.427 1.00 60.64 ? 79 SER b N 1 +ATOM 28933 C CA . SER T 2 78 ? 42.214 -1.060 -42.228 1.00 60.31 ? 79 SER b CA 1 +ATOM 28934 C C . SER T 2 78 ? 41.234 -0.007 -41.738 1.00 54.68 ? 79 SER b C 1 +ATOM 28935 O O . SER T 2 78 ? 40.380 0.470 -42.487 1.00 58.03 ? 79 SER b O 1 +ATOM 28936 C CB . SER T 2 78 ? 43.585 -0.422 -42.472 1.00 60.26 ? 79 SER b CB 1 +ATOM 28937 O OG . SER T 2 78 ? 43.450 0.883 -43.016 1.00 68.42 ? 79 SER b OG 1 +ATOM 28938 N N . ILE T 2 79 ? 41.372 0.379 -40.467 1.00 59.61 ? 80 ILE b N 1 +ATOM 28939 C CA . ILE T 2 79 ? 40.463 1.384 -39.932 1.00 57.00 ? 80 ILE b CA 1 +ATOM 28940 C C . ILE T 2 79 ? 40.769 2.787 -40.431 1.00 63.25 ? 80 ILE b C 1 +ATOM 28941 O O . ILE T 2 79 ? 39.922 3.671 -40.274 1.00 60.90 ? 80 ILE b O 1 +ATOM 28942 C CB . ILE T 2 79 ? 40.447 1.400 -38.391 1.00 72.22 ? 80 ILE b CB 1 +ATOM 28943 C CG1 . ILE T 2 79 ? 41.835 1.745 -37.858 1.00 73.20 ? 80 ILE b CG1 1 +ATOM 28944 C CG2 . ILE T 2 79 ? 39.911 0.065 -37.836 1.00 59.60 ? 80 ILE b CG2 1 +ATOM 28945 C CD1 . ILE T 2 79 ? 41.810 2.263 -36.475 1.00 73.41 ? 80 ILE b CD1 1 +ATOM 28946 N N . THR T 2 80 ? 41.926 3.020 -41.054 1.00 53.72 ? 81 THR b N 1 +ATOM 28947 C CA . THR T 2 80 ? 42.198 4.325 -41.654 1.00 65.69 ? 81 THR b CA 1 +ATOM 28948 C C . THR T 2 80 ? 41.765 4.413 -43.113 1.00 65.05 ? 81 THR b C 1 +ATOM 28949 O O . THR T 2 80 ? 42.015 5.436 -43.755 1.00 71.14 ? 81 THR b O 1 +ATOM 28950 C CB . THR T 2 80 ? 43.684 4.679 -41.554 1.00 60.61 ? 81 THR b CB 1 +ATOM 28951 O OG1 . THR T 2 80 ? 44.423 3.869 -42.464 1.00 64.47 ? 81 THR b OG1 1 +ATOM 28952 C CG2 . THR T 2 80 ? 44.210 4.441 -40.143 1.00 67.38 ? 81 THR b CG2 1 +ATOM 28953 N N . GLY T 2 81 ? 41.129 3.372 -43.654 1.00 69.59 ? 82 GLY b N 1 +ATOM 28954 C CA . GLY T 2 81 ? 40.555 3.411 -44.985 1.00 63.53 ? 82 GLY b CA 1 +ATOM 28955 C C . GLY T 2 81 ? 41.349 2.692 -46.058 1.00 72.42 ? 82 GLY b C 1 +ATOM 28956 O O . GLY T 2 81 ? 40.852 2.555 -47.183 1.00 66.77 ? 82 GLY b O 1 +ATOM 28957 N N . GLU T 2 82 ? 42.554 2.227 -45.751 1.00 69.34 ? 83 GLU b N 1 +ATOM 28958 C CA . GLU T 2 82 ? 43.361 1.547 -46.750 1.00 75.58 ? 83 GLU b CA 1 +ATOM 28959 C C . GLU T 2 82 ? 42.815 0.153 -47.050 1.00 80.73 ? 83 GLU b C 1 +ATOM 28960 O O . GLU T 2 82 ? 42.245 -0.519 -46.185 1.00 69.42 ? 83 GLU b O 1 +ATOM 28961 C CB . GLU T 2 82 ? 44.803 1.444 -46.271 1.00 68.67 ? 83 GLU b CB 1 +ATOM 28962 C CG . GLU T 2 82 ? 45.379 2.778 -45.920 1.00 91.42 ? 83 GLU b CG 1 +ATOM 28963 C CD . GLU T 2 82 ? 46.555 2.672 -44.986 1.00 107.59 ? 83 GLU b CD 1 +ATOM 28964 O OE1 . GLU T 2 82 ? 46.880 1.538 -44.577 1.00 110.51 ? 83 GLU b OE1 1 +ATOM 28965 O OE2 . GLU T 2 82 ? 47.146 3.727 -44.661 1.00 144.07 ? 83 GLU b OE2 1 +ATOM 28966 N N . THR T 2 83 ? 42.996 -0.273 -48.299 1.00 68.91 ? 84 THR b N 1 +ATOM 28967 C CA . THR T 2 83 ? 42.615 -1.601 -48.755 1.00 82.33 ? 84 THR b CA 1 +ATOM 28968 C C . THR T 2 83 ? 43.841 -2.336 -49.281 1.00 75.48 ? 84 THR b C 1 +ATOM 28969 O O . THR T 2 83 ? 44.853 -1.723 -49.629 1.00 86.56 ? 84 THR b O 1 +ATOM 28970 C CB . THR T 2 83 ? 41.549 -1.537 -49.854 1.00 67.14 ? 84 THR b CB 1 +ATOM 28971 O OG1 . THR T 2 83 ? 42.044 -0.753 -50.942 1.00 89.33 ? 84 THR b OG1 1 +ATOM 28972 C CG2 . THR T 2 83 ? 40.274 -0.903 -49.329 1.00 91.90 ? 84 THR b CG2 1 +ATOM 28973 N N . GLY T 2 84 ? 43.738 -3.662 -49.341 1.00 70.49 ? 85 GLY b N 1 +ATOM 28974 C CA . GLY T 2 84 ? 44.832 -4.478 -49.826 1.00 57.61 ? 85 GLY b CA 1 +ATOM 28975 C C . GLY T 2 84 ? 46.040 -4.539 -48.921 1.00 78.53 ? 85 GLY b C 1 +ATOM 28976 O O . GLY T 2 84 ? 47.132 -4.874 -49.383 1.00 86.91 ? 85 GLY b O 1 +ATOM 28977 N N . ILE T 2 85 ? 45.883 -4.237 -47.637 1.00 77.83 ? 86 ILE b N 1 +ATOM 28978 C CA . ILE T 2 85 ? 47.024 -4.229 -46.729 1.00 74.78 ? 86 ILE b CA 1 +ATOM 28979 C C . ILE T 2 85 ? 47.181 -5.616 -46.137 1.00 79.92 ? 86 ILE b C 1 +ATOM 28980 O O . ILE T 2 85 ? 46.266 -6.446 -46.224 1.00 76.54 ? 86 ILE b O 1 +ATOM 28981 C CB . ILE T 2 85 ? 46.861 -3.168 -45.626 1.00 78.89 ? 86 ILE b CB 1 +ATOM 28982 C CG1 . ILE T 2 85 ? 45.543 -3.367 -44.869 1.00 80.88 ? 86 ILE b CG1 1 +ATOM 28983 C CG2 . ILE T 2 85 ? 46.902 -1.771 -46.224 1.00 83.83 ? 86 ILE b CG2 1 +ATOM 28984 C CD1 . ILE T 2 85 ? 45.637 -4.278 -43.654 1.00 70.79 ? 86 ILE b CD1 1 +ATOM 28985 N N . ASP T 2 86 ? 48.330 -5.869 -45.524 1.00 75.30 ? 87 ASP b N 1 +ATOM 28986 C CA . ASP T 2 86 ? 48.592 -7.131 -44.839 1.00 72.55 ? 87 ASP b CA 1 +ATOM 28987 C C . ASP T 2 86 ? 49.062 -6.814 -43.431 1.00 73.89 ? 87 ASP b C 1 +ATOM 28988 O O . ASP T 2 86 ? 50.216 -6.373 -43.251 1.00 84.03 ? 87 ASP b O 1 +ATOM 28989 C CB . ASP T 2 86 ? 49.625 -7.974 -45.578 1.00 71.10 ? 87 ASP b CB 1 +ATOM 28990 C CG . ASP T 2 86 ? 49.889 -9.310 -44.891 1.00 86.07 ? 87 ASP b CG 1 +ATOM 28991 O OD1 . ASP T 2 86 ? 49.282 -9.607 -43.827 1.00 85.13 ? 87 ASP b OD1 1 +ATOM 28992 O OD2 . ASP T 2 86 ? 50.710 -10.079 -45.425 1.00 119.98 ? 87 ASP b OD2 1 +ATOM 28993 N N . PRO T 2 87 ? 48.233 -7.032 -42.411 1.00 74.47 ? 88 PRO b N 1 +ATOM 28994 C CA . PRO T 2 87 ? 48.626 -6.678 -41.044 1.00 68.57 ? 88 PRO b CA 1 +ATOM 28995 C C . PRO T 2 87 ? 49.466 -7.731 -40.337 1.00 61.66 ? 88 PRO b C 1 +ATOM 28996 O O . PRO T 2 87 ? 49.703 -7.592 -39.132 1.00 76.04 ? 88 PRO b O 1 +ATOM 28997 C CB . PRO T 2 87 ? 47.269 -6.512 -40.342 1.00 64.98 ? 88 PRO b CB 1 +ATOM 28998 C CG . PRO T 2 87 ? 46.385 -7.510 -41.042 1.00 65.79 ? 88 PRO b CG 1 +ATOM 28999 C CD . PRO T 2 87 ? 46.875 -7.604 -42.477 1.00 60.11 ? 88 PRO b CD 1 +ATOM 29000 N N . GLY T 2 88 ? 49.927 -8.775 -41.037 1.00 64.15 ? 89 GLY b N 1 +ATOM 29001 C CA . GLY T 2 88 ? 50.576 -9.898 -40.369 1.00 51.14 ? 89 GLY b CA 1 +ATOM 29002 C C . GLY T 2 88 ? 49.606 -10.621 -39.442 1.00 57.01 ? 89 GLY b C 1 +ATOM 29003 O O . GLY T 2 88 ? 48.384 -10.509 -39.565 1.00 57.63 ? 89 GLY b O 1 +ATOM 29004 N N . PHE T 2 89 ? 50.173 -11.366 -38.482 1.00 54.77 ? 90 PHE b N 1 +ATOM 29005 C CA . PHE T 2 89 ? 49.321 -12.112 -37.562 1.00 52.63 ? 90 PHE b CA 1 +ATOM 29006 C C . PHE T 2 89 ? 48.527 -11.194 -36.643 1.00 60.21 ? 90 PHE b C 1 +ATOM 29007 O O . PHE T 2 89 ? 47.392 -11.526 -36.282 1.00 55.69 ? 90 PHE b O 1 +ATOM 29008 C CB . PHE T 2 89 ? 50.123 -13.081 -36.704 1.00 54.07 ? 90 PHE b CB 1 +ATOM 29009 C CG . PHE T 2 89 ? 49.254 -13.891 -35.790 1.00 59.12 ? 90 PHE b CG 1 +ATOM 29010 C CD1 . PHE T 2 89 ? 48.527 -14.964 -36.285 1.00 56.83 ? 90 PHE b CD1 1 +ATOM 29011 C CD2 . PHE T 2 89 ? 49.114 -13.548 -34.449 1.00 61.67 ? 90 PHE b CD2 1 +ATOM 29012 C CE1 . PHE T 2 89 ? 47.700 -15.703 -35.463 1.00 57.52 ? 90 PHE b CE1 1 +ATOM 29013 C CE2 . PHE T 2 89 ? 48.275 -14.282 -33.609 1.00 56.43 ? 90 PHE b CE2 1 +ATOM 29014 C CZ . PHE T 2 89 ? 47.568 -15.359 -34.122 1.00 67.16 ? 90 PHE b CZ 1 +ATOM 29015 N N . TRP T 2 90 ? 49.094 -10.045 -36.251 1.00 50.63 ? 91 TRP b N 1 +ATOM 29016 C CA . TRP T 2 90 ? 48.460 -9.187 -35.256 1.00 55.28 ? 91 TRP b CA 1 +ATOM 29017 C C . TRP T 2 90 ? 47.430 -8.263 -35.906 1.00 53.36 ? 91 TRP b C 1 +ATOM 29018 O O . TRP T 2 90 ? 47.517 -7.034 -35.857 1.00 57.91 ? 91 TRP b O 1 +ATOM 29019 C CB . TRP T 2 90 ? 49.511 -8.410 -34.469 1.00 57.47 ? 91 TRP b CB 1 +ATOM 29020 C CG . TRP T 2 90 ? 50.398 -9.334 -33.661 1.00 57.38 ? 91 TRP b CG 1 +ATOM 29021 C CD1 . TRP T 2 90 ? 51.742 -9.525 -33.812 1.00 56.21 ? 91 TRP b CD1 1 +ATOM 29022 C CD2 . TRP T 2 90 ? 49.985 -10.218 -32.617 1.00 53.65 ? 91 TRP b CD2 1 +ATOM 29023 N NE1 . TRP T 2 90 ? 52.196 -10.450 -32.908 1.00 61.03 ? 91 TRP b NE1 1 +ATOM 29024 C CE2 . TRP T 2 90 ? 51.137 -10.897 -32.164 1.00 52.04 ? 91 TRP b CE2 1 +ATOM 29025 C CE3 . TRP T 2 90 ? 48.754 -10.488 -32.002 1.00 57.30 ? 91 TRP b CE3 1 +ATOM 29026 C CZ2 . TRP T 2 90 ? 51.094 -11.838 -31.137 1.00 50.48 ? 91 TRP b CZ2 1 +ATOM 29027 C CZ3 . TRP T 2 90 ? 48.714 -11.422 -30.981 1.00 51.88 ? 91 TRP b CZ3 1 +ATOM 29028 C CH2 . TRP T 2 90 ? 49.877 -12.086 -30.559 1.00 56.11 ? 91 TRP b CH2 1 +ATOM 29029 N N . SER T 2 91 ? 46.423 -8.893 -36.510 1.00 50.70 ? 92 SER b N 1 +ATOM 29030 C CA . SER T 2 91 ? 45.214 -8.202 -36.937 1.00 52.97 ? 92 SER b CA 1 +ATOM 29031 C C . SER T 2 91 ? 44.231 -8.167 -35.768 1.00 52.32 ? 92 SER b C 1 +ATOM 29032 O O . SER T 2 91 ? 44.494 -8.725 -34.696 1.00 49.34 ? 92 SER b O 1 +ATOM 29033 C CB . SER T 2 91 ? 44.589 -8.915 -38.129 1.00 48.62 ? 92 SER b CB 1 +ATOM 29034 O OG . SER T 2 91 ? 44.186 -10.210 -37.706 1.00 55.30 ? 92 SER b OG 1 +ATOM 29035 N N . PHE T 2 92 ? 43.072 -7.530 -35.976 1.00 47.50 ? 93 PHE b N 1 +ATOM 29036 C CA . PHE T 2 92 ? 42.001 -7.636 -34.987 1.00 52.40 ? 93 PHE b CA 1 +ATOM 29037 C C . PHE T 2 92 ? 41.684 -9.102 -34.684 1.00 50.67 ? 93 PHE b C 1 +ATOM 29038 O O . PHE T 2 92 ? 41.511 -9.482 -33.518 1.00 55.51 ? 93 PHE b O 1 +ATOM 29039 C CB . PHE T 2 92 ? 40.755 -6.892 -35.481 1.00 50.61 ? 93 PHE b CB 1 +ATOM 29040 C CG . PHE T 2 92 ? 40.974 -5.424 -35.700 1.00 57.38 ? 93 PHE b CG 1 +ATOM 29041 C CD1 . PHE T 2 92 ? 41.314 -4.589 -34.630 1.00 64.50 ? 93 PHE b CD1 1 +ATOM 29042 C CD2 . PHE T 2 92 ? 40.840 -4.865 -36.964 1.00 53.51 ? 93 PHE b CD2 1 +ATOM 29043 C CE1 . PHE T 2 92 ? 41.525 -3.221 -34.832 1.00 53.97 ? 93 PHE b CE1 1 +ATOM 29044 C CE2 . PHE T 2 92 ? 41.054 -3.515 -37.171 1.00 55.45 ? 93 PHE b CE2 1 +ATOM 29045 C CZ . PHE T 2 92 ? 41.389 -2.686 -36.100 1.00 61.07 ? 93 PHE b CZ 1 +ATOM 29046 N N . GLU T 2 93 ? 41.648 -9.943 -35.726 1.00 47.04 ? 94 GLU b N 1 +ATOM 29047 C CA . GLU T 2 93 ? 41.353 -11.369 -35.572 1.00 45.00 ? 94 GLU b CA 1 +ATOM 29048 C C . GLU T 2 93 ? 42.458 -12.099 -34.807 1.00 53.76 ? 94 GLU b C 1 +ATOM 29049 O O . GLU T 2 93 ? 42.181 -12.924 -33.921 1.00 51.38 ? 94 GLU b O 1 +ATOM 29050 C CB . GLU T 2 93 ? 41.164 -12.019 -36.952 1.00 46.81 ? 94 GLU b CB 1 +ATOM 29051 C CG . GLU T 2 93 ? 40.035 -11.475 -37.807 1.00 47.70 ? 94 GLU b CG 1 +ATOM 29052 C CD . GLU T 2 93 ? 40.446 -10.301 -38.689 1.00 50.80 ? 94 GLU b CD 1 +ATOM 29053 O OE1 . GLU T 2 93 ? 41.655 -10.020 -38.844 1.00 53.75 ? 94 GLU b OE1 1 +ATOM 29054 O OE2 . GLU T 2 93 ? 39.537 -9.656 -39.240 1.00 53.11 ? 94 GLU b OE2 1 +ATOM 29055 N N . GLY T 2 94 ? 43.719 -11.852 -35.164 1.00 47.95 ? 95 GLY b N 1 +ATOM 29056 C CA . GLY T 2 94 ? 44.801 -12.510 -34.448 1.00 48.79 ? 95 GLY b CA 1 +ATOM 29057 C C . GLY T 2 94 ? 44.814 -12.143 -32.975 1.00 51.99 ? 95 GLY b C 1 +ATOM 29058 O O . GLY T 2 94 ? 45.038 -12.993 -32.109 1.00 54.37 ? 95 GLY b O 1 +ATOM 29059 N N . VAL T 2 95 ? 44.549 -10.873 -32.670 1.00 56.70 ? 96 VAL b N 1 +ATOM 29060 C CA . VAL T 2 95 ? 44.456 -10.451 -31.276 1.00 52.63 ? 96 VAL b CA 1 +ATOM 29061 C C . VAL T 2 95 ? 43.340 -11.215 -30.572 1.00 52.24 ? 96 VAL b C 1 +ATOM 29062 O O . VAL T 2 95 ? 43.514 -11.714 -29.449 1.00 52.60 ? 96 VAL b O 1 +ATOM 29063 C CB . VAL T 2 95 ? 44.248 -8.922 -31.188 1.00 56.16 ? 96 VAL b CB 1 +ATOM 29064 C CG1 . VAL T 2 95 ? 43.926 -8.516 -29.769 1.00 49.97 ? 96 VAL b CG1 1 +ATOM 29065 C CG2 . VAL T 2 95 ? 45.496 -8.155 -31.670 1.00 51.75 ? 96 VAL b CG2 1 +ATOM 29066 N N . ALA T 2 96 ? 42.176 -11.329 -31.222 1.00 49.42 ? 97 ALA b N 1 +ATOM 29067 C CA . ALA T 2 96 ? 41.055 -12.003 -30.567 1.00 48.91 ? 97 ALA b CA 1 +ATOM 29068 C C . ALA T 2 96 ? 41.385 -13.465 -30.328 1.00 46.26 ? 97 ALA b C 1 +ATOM 29069 O O . ALA T 2 96 ? 41.197 -13.985 -29.224 1.00 54.31 ? 97 ALA b O 1 +ATOM 29070 C CB . ALA T 2 96 ? 39.780 -11.863 -31.396 1.00 47.12 ? 97 ALA b CB 1 +ATOM 29071 N N . LEU T 2 97 ? 41.907 -14.130 -31.360 1.00 53.25 ? 98 LEU b N 1 +ATOM 29072 C CA . LEU T 2 97 ? 42.352 -15.513 -31.264 1.00 55.69 ? 98 LEU b CA 1 +ATOM 29073 C C . LEU T 2 97 ? 43.334 -15.693 -30.117 1.00 53.02 ? 98 LEU b C 1 +ATOM 29074 O O . LEU T 2 97 ? 43.185 -16.598 -29.287 1.00 54.14 ? 98 LEU b O 1 +ATOM 29075 C CB . LEU T 2 97 ? 42.992 -15.924 -32.591 1.00 52.12 ? 98 LEU b CB 1 +ATOM 29076 C CG . LEU T 2 97 ? 43.643 -17.293 -32.702 1.00 69.95 ? 98 LEU b CG 1 +ATOM 29077 C CD1 . LEU T 2 97 ? 42.712 -18.389 -32.174 1.00 64.14 ? 98 LEU b CD1 1 +ATOM 29078 C CD2 . LEU T 2 97 ? 43.994 -17.549 -34.168 1.00 65.45 ? 98 LEU b CD2 1 +ATOM 29079 N N . ALA T 2 98 ? 44.343 -14.820 -30.054 1.00 51.31 ? 99 ALA b N 1 +ATOM 29080 C CA . ALA T 2 98 ? 45.349 -14.933 -29.004 1.00 52.16 ? 99 ALA b CA 1 +ATOM 29081 C C . ALA T 2 98 ? 44.706 -14.905 -27.622 1.00 46.36 ? 99 ALA b C 1 +ATOM 29082 O O . ALA T 2 98 ? 45.094 -15.673 -26.735 1.00 54.10 ? 99 ALA b O 1 +ATOM 29083 C CB . ALA T 2 98 ? 46.386 -13.815 -29.157 1.00 50.49 ? 99 ALA b CB 1 +ATOM 29084 N N . HIS T 2 99 ? 43.700 -14.050 -27.428 1.00 50.20 ? 100 HIS b N 1 +ATOM 29085 C CA . HIS T 2 99 ? 43.066 -13.967 -26.111 1.00 49.18 ? 100 HIS b CA 1 +ATOM 29086 C C . HIS T 2 99 ? 42.235 -15.214 -25.821 1.00 48.35 ? 100 HIS b C 1 +ATOM 29087 O O . HIS T 2 99 ? 42.233 -15.713 -24.693 1.00 48.69 ? 100 HIS b O 1 +ATOM 29088 C CB . HIS T 2 99 ? 42.210 -12.702 -26.003 1.00 48.49 ? 100 HIS b CB 1 +ATOM 29089 C CG . HIS T 2 99 ? 42.990 -11.456 -25.680 1.00 52.14 ? 100 HIS b CG 1 +ATOM 29090 N ND1 . HIS T 2 99 ? 43.715 -10.766 -26.625 1.00 50.56 ? 100 HIS b ND1 1 +ATOM 29091 C CD2 . HIS T 2 99 ? 43.151 -10.775 -24.516 1.00 48.92 ? 100 HIS b CD2 1 +ATOM 29092 C CE1 . HIS T 2 99 ? 44.279 -9.707 -26.066 1.00 47.75 ? 100 HIS b CE1 1 +ATOM 29093 N NE2 . HIS T 2 99 ? 43.955 -9.690 -24.785 1.00 58.50 ? 100 HIS b NE2 1 +ATOM 29094 N N . ILE T 2 100 ? 41.543 -15.744 -26.837 1.00 52.00 ? 101 ILE b N 1 +ATOM 29095 C CA . ILE T 2 100 ? 40.801 -16.993 -26.668 1.00 46.14 ? 101 ILE b CA 1 +ATOM 29096 C C . ILE T 2 100 ? 41.742 -18.126 -26.261 1.00 48.89 ? 101 ILE b C 1 +ATOM 29097 O O . ILE T 2 100 ? 41.439 -18.915 -25.361 1.00 50.83 ? 101 ILE b O 1 +ATOM 29098 C CB . ILE T 2 100 ? 40.032 -17.324 -27.961 1.00 56.81 ? 101 ILE b CB 1 +ATOM 29099 C CG1 . ILE T 2 100 ? 38.966 -16.256 -28.223 1.00 52.10 ? 101 ILE b CG1 1 +ATOM 29100 C CG2 . ILE T 2 100 ? 39.401 -18.732 -27.892 1.00 51.62 ? 101 ILE b CG2 1 +ATOM 29101 C CD1 . ILE T 2 100 ? 37.956 -16.158 -27.087 1.00 55.87 ? 101 ILE b CD1 1 +ATOM 29102 N N . VAL T 2 101 ? 42.891 -18.244 -26.935 1.00 53.09 ? 102 VAL b N 1 +ATOM 29103 C CA . VAL T 2 101 ? 43.800 -19.338 -26.604 1.00 48.17 ? 102 VAL b CA 1 +ATOM 29104 C C . VAL T 2 101 ? 44.350 -19.158 -25.194 1.00 50.31 ? 102 VAL b C 1 +ATOM 29105 O O . VAL T 2 101 ? 44.398 -20.105 -24.404 1.00 58.61 ? 102 VAL b O 1 +ATOM 29106 C CB . VAL T 2 101 ? 44.923 -19.443 -27.652 1.00 50.06 ? 102 VAL b CB 1 +ATOM 29107 C CG1 . VAL T 2 101 ? 45.917 -20.520 -27.240 1.00 47.31 ? 102 VAL b CG1 1 +ATOM 29108 C CG2 . VAL T 2 101 ? 44.341 -19.754 -29.047 1.00 48.29 ? 102 VAL b CG2 1 +ATOM 29109 N N . LEU T 2 102 ? 44.746 -17.935 -24.847 1.00 51.55 ? 103 LEU b N 1 +ATOM 29110 C CA . LEU T 2 102 ? 45.207 -17.659 -23.489 1.00 52.51 ? 103 LEU b CA 1 +ATOM 29111 C C . LEU T 2 102 ? 44.147 -18.027 -22.451 1.00 47.47 ? 103 LEU b C 1 +ATOM 29112 O O . LEU T 2 102 ? 44.461 -18.623 -21.419 1.00 55.40 ? 103 LEU b O 1 +ATOM 29113 C CB . LEU T 2 102 ? 45.590 -16.182 -23.377 1.00 53.11 ? 103 LEU b CB 1 +ATOM 29114 C CG . LEU T 2 102 ? 46.014 -15.648 -22.002 1.00 52.37 ? 103 LEU b CG 1 +ATOM 29115 C CD1 . LEU T 2 102 ? 47.325 -16.267 -21.567 1.00 52.58 ? 103 LEU b CD1 1 +ATOM 29116 C CD2 . LEU T 2 102 ? 46.135 -14.155 -22.091 1.00 43.60 ? 103 LEU b CD2 1 +ATOM 29117 N N . SER T 2 103 ? 42.885 -17.685 -22.717 1.00 50.23 ? 104 SER b N 1 +ATOM 29118 C CA . SER T 2 103 ? 41.793 -18.080 -21.836 1.00 50.86 ? 104 SER b CA 1 +ATOM 29119 C C . SER T 2 103 ? 41.781 -19.580 -21.587 1.00 48.78 ? 104 SER b C 1 +ATOM 29120 O O . SER T 2 103 ? 41.589 -20.027 -20.445 1.00 50.33 ? 104 SER b O 1 +ATOM 29121 C CB . SER T 2 103 ? 40.456 -17.646 -22.436 1.00 48.33 ? 104 SER b CB 1 +ATOM 29122 O OG . SER T 2 103 ? 39.402 -17.986 -21.553 1.00 56.38 ? 104 SER b OG 1 +ATOM 29123 N N . GLY T 2 104 ? 41.973 -20.376 -22.647 1.00 56.41 ? 105 GLY b N 1 +ATOM 29124 C CA . GLY T 2 104 ? 41.962 -21.826 -22.487 1.00 47.13 ? 105 GLY b CA 1 +ATOM 29125 C C . GLY T 2 104 ? 43.146 -22.319 -21.683 1.00 55.48 ? 105 GLY b C 1 +ATOM 29126 O O . GLY T 2 104 ? 42.998 -23.182 -20.807 1.00 50.36 ? 105 GLY b O 1 +ATOM 29127 N N . LEU T 2 105 ? 44.335 -21.760 -21.947 1.00 54.08 ? 106 LEU b N 1 +ATOM 29128 C CA . LEU T 2 105 ? 45.527 -22.173 -21.204 1.00 50.76 ? 106 LEU b CA 1 +ATOM 29129 C C . LEU T 2 105 ? 45.391 -21.842 -19.720 1.00 55.30 ? 106 LEU b C 1 +ATOM 29130 O O . LEU T 2 105 ? 45.773 -22.645 -18.859 1.00 55.72 ? 106 LEU b O 1 +ATOM 29131 C CB . LEU T 2 105 ? 46.778 -21.521 -21.805 1.00 56.02 ? 106 LEU b CB 1 +ATOM 29132 C CG . LEU T 2 105 ? 47.193 -22.062 -23.184 1.00 60.90 ? 106 LEU b CG 1 +ATOM 29133 C CD1 . LEU T 2 105 ? 48.450 -21.382 -23.688 1.00 62.91 ? 106 LEU b CD1 1 +ATOM 29134 C CD2 . LEU T 2 105 ? 47.405 -23.560 -23.131 1.00 62.43 ? 106 LEU b CD2 1 +ATOM 29135 N N . LEU T 2 106 ? 44.824 -20.675 -19.398 1.00 51.50 ? 107 LEU b N 1 +ATOM 29136 C CA . LEU T 2 106 ? 44.634 -20.328 -17.990 1.00 49.40 ? 107 LEU b CA 1 +ATOM 29137 C C . LEU T 2 106 ? 43.608 -21.243 -17.333 1.00 55.10 ? 107 LEU b C 1 +ATOM 29138 O O . LEU T 2 106 ? 43.757 -21.612 -16.158 1.00 52.79 ? 107 LEU b O 1 +ATOM 29139 C CB . LEU T 2 106 ? 44.213 -18.867 -17.859 1.00 47.52 ? 107 LEU b CB 1 +ATOM 29140 C CG . LEU T 2 106 ? 45.224 -17.872 -18.412 1.00 52.84 ? 107 LEU b CG 1 +ATOM 29141 C CD1 . LEU T 2 106 ? 44.567 -16.516 -18.619 1.00 51.97 ? 107 LEU b CD1 1 +ATOM 29142 C CD2 . LEU T 2 106 ? 46.413 -17.755 -17.476 1.00 55.09 ? 107 LEU b CD2 1 +ATOM 29143 N N . PHE T 2 107 ? 42.561 -21.621 -18.075 1.00 54.01 ? 108 PHE b N 1 +ATOM 29144 C CA . PHE T 2 107 ? 41.553 -22.520 -17.524 1.00 51.83 ? 108 PHE b CA 1 +ATOM 29145 C C . PHE T 2 107 ? 42.197 -23.829 -17.070 1.00 49.31 ? 108 PHE b C 1 +ATOM 29146 O O . PHE T 2 107 ? 41.960 -24.303 -15.952 1.00 53.69 ? 108 PHE b O 1 +ATOM 29147 C CB . PHE T 2 107 ? 40.453 -22.772 -18.564 1.00 52.43 ? 108 PHE b CB 1 +ATOM 29148 C CG . PHE T 2 107 ? 39.460 -23.817 -18.147 1.00 61.72 ? 108 PHE b CG 1 +ATOM 29149 C CD1 . PHE T 2 107 ? 39.628 -25.145 -18.526 1.00 59.64 ? 108 PHE b CD1 1 +ATOM 29150 C CD2 . PHE T 2 107 ? 38.365 -23.480 -17.371 1.00 46.87 ? 108 PHE b CD2 1 +ATOM 29151 C CE1 . PHE T 2 107 ? 38.725 -26.116 -18.126 1.00 58.56 ? 108 PHE b CE1 1 +ATOM 29152 C CE2 . PHE T 2 107 ? 37.462 -24.448 -16.967 1.00 58.19 ? 108 PHE b CE2 1 +ATOM 29153 C CZ . PHE T 2 107 ? 37.646 -25.769 -17.340 1.00 53.94 ? 108 PHE b CZ 1 +ATOM 29154 N N . LEU T 2 108 ? 43.049 -24.401 -17.921 1.00 52.43 ? 109 LEU b N 1 +ATOM 29155 C CA . LEU T 2 108 ? 43.739 -25.640 -17.582 1.00 55.01 ? 109 LEU b CA 1 +ATOM 29156 C C . LEU T 2 108 ? 44.653 -25.463 -16.374 1.00 57.74 ? 109 LEU b C 1 +ATOM 29157 O O . LEU T 2 108 ? 44.720 -26.346 -15.507 1.00 52.25 ? 109 LEU b O 1 +ATOM 29158 C CB . LEU T 2 108 ? 44.537 -26.138 -18.785 1.00 52.97 ? 109 LEU b CB 1 +ATOM 29159 C CG . LEU T 2 108 ? 43.721 -26.647 -19.971 1.00 63.17 ? 109 LEU b CG 1 +ATOM 29160 C CD1 . LEU T 2 108 ? 44.666 -27.039 -21.093 1.00 53.73 ? 109 LEU b CD1 1 +ATOM 29161 C CD2 . LEU T 2 108 ? 42.846 -27.823 -19.541 1.00 55.09 ? 109 LEU b CD2 1 +ATOM 29162 N N . ALA T 2 109 ? 45.374 -24.335 -16.306 1.00 48.96 ? 110 ALA b N 1 +ATOM 29163 C CA . ALA T 2 109 ? 46.254 -24.099 -15.163 1.00 51.35 ? 110 ALA b CA 1 +ATOM 29164 C C . ALA T 2 109 ? 45.457 -23.973 -13.870 1.00 53.72 ? 110 ALA b C 1 +ATOM 29165 O O . ALA T 2 109 ? 45.891 -24.458 -12.816 1.00 49.95 ? 110 ALA b O 1 +ATOM 29166 C CB . ALA T 2 109 ? 47.109 -22.853 -15.390 1.00 51.72 ? 110 ALA b CB 1 +ATOM 29167 N N . ALA T 2 110 ? 44.273 -23.346 -13.934 1.00 53.50 ? 111 ALA b N 1 +ATOM 29168 C CA . ALA T 2 110 ? 43.424 -23.260 -12.749 1.00 48.48 ? 111 ALA b CA 1 +ATOM 29169 C C . ALA T 2 110 ? 43.030 -24.646 -12.247 1.00 52.38 ? 111 ALA b C 1 +ATOM 29170 O O . ALA T 2 110 ? 42.966 -24.872 -11.034 1.00 52.05 ? 111 ALA b O 1 +ATOM 29171 C CB . ALA T 2 110 ? 42.186 -22.410 -13.036 1.00 45.87 ? 111 ALA b CB 1 +ATOM 29172 N N . CYS T 2 111 ? 42.773 -25.592 -13.161 1.00 49.62 ? 112 CYS b N 1 +ATOM 29173 C CA . CYS T 2 111 ? 42.418 -26.944 -12.729 1.00 52.16 ? 112 CYS b CA 1 +ATOM 29174 C C . CYS T 2 111 ? 43.579 -27.610 -12.013 1.00 54.18 ? 112 CYS b C 1 +ATOM 29175 O O . CYS T 2 111 ? 43.388 -28.279 -10.990 1.00 50.48 ? 112 CYS b O 1 +ATOM 29176 C CB . CYS T 2 111 ? 42.002 -27.812 -13.914 1.00 61.42 ? 112 CYS b CB 1 +ATOM 29177 S SG . CYS T 2 111 ? 40.498 -27.355 -14.729 1.00 56.19 ? 112 CYS b SG 1 +ATOM 29178 N N . TRP T 2 112 ? 44.788 -27.467 -12.556 1.00 49.98 ? 113 TRP b N 1 +ATOM 29179 C CA . TRP T 2 112 ? 45.953 -28.061 -11.910 1.00 54.36 ? 113 TRP b CA 1 +ATOM 29180 C C . TRP T 2 112 ? 46.137 -27.502 -10.497 1.00 55.94 ? 113 TRP b C 1 +ATOM 29181 O O . TRP T 2 112 ? 46.210 -28.256 -9.518 1.00 61.32 ? 113 TRP b O 1 +ATOM 29182 C CB . TRP T 2 112 ? 47.200 -27.832 -12.765 1.00 48.10 ? 113 TRP b CB 1 +ATOM 29183 C CG . TRP T 2 112 ? 48.354 -28.641 -12.290 1.00 60.29 ? 113 TRP b CG 1 +ATOM 29184 C CD1 . TRP T 2 112 ? 48.711 -29.891 -12.714 1.00 54.12 ? 113 TRP b CD1 1 +ATOM 29185 C CD2 . TRP T 2 112 ? 49.292 -28.279 -11.261 1.00 59.81 ? 113 TRP b CD2 1 +ATOM 29186 N NE1 . TRP T 2 112 ? 49.818 -30.328 -12.020 1.00 65.11 ? 113 TRP b NE1 1 +ATOM 29187 C CE2 . TRP T 2 112 ? 50.197 -29.359 -11.126 1.00 64.51 ? 113 TRP b CE2 1 +ATOM 29188 C CE3 . TRP T 2 112 ? 49.460 -27.145 -10.454 1.00 50.87 ? 113 TRP b CE3 1 +ATOM 29189 C CZ2 . TRP T 2 112 ? 51.249 -29.343 -10.214 1.00 59.74 ? 113 TRP b CZ2 1 +ATOM 29190 C CZ3 . TRP T 2 112 ? 50.507 -27.121 -9.559 1.00 58.91 ? 113 TRP b CZ3 1 +ATOM 29191 C CH2 . TRP T 2 112 ? 51.390 -28.218 -9.438 1.00 63.67 ? 113 TRP b CH2 1 +ATOM 29192 N N . HIS T 2 113 ? 46.176 -26.171 -10.367 1.00 57.43 ? 114 HIS b N 1 +ATOM 29193 C CA . HIS T 2 113 ? 46.365 -25.565 -9.057 1.00 48.94 ? 114 HIS b CA 1 +ATOM 29194 C C . HIS T 2 113 ? 45.201 -25.841 -8.105 1.00 58.33 ? 114 HIS b C 1 +ATOM 29195 O O . HIS T 2 113 ? 45.405 -25.864 -6.888 1.00 53.71 ? 114 HIS b O 1 +ATOM 29196 C CB . HIS T 2 113 ? 46.615 -24.061 -9.219 1.00 46.89 ? 114 HIS b CB 1 +ATOM 29197 C CG . HIS T 2 113 ? 48.040 -23.721 -9.543 1.00 57.11 ? 114 HIS b CG 1 +ATOM 29198 N ND1 . HIS T 2 113 ? 49.037 -23.716 -8.589 1.00 58.65 ? 114 HIS b ND1 1 +ATOM 29199 C CD2 . HIS T 2 113 ? 48.641 -23.384 -10.710 1.00 56.80 ? 114 HIS b CD2 1 +ATOM 29200 C CE1 . HIS T 2 113 ? 50.186 -23.383 -9.154 1.00 54.08 ? 114 HIS b CE1 1 +ATOM 29201 N NE2 . HIS T 2 113 ? 49.975 -23.176 -10.440 1.00 53.27 ? 114 HIS b NE2 1 +ATOM 29202 N N . TRP T 2 114 ? 43.994 -26.087 -8.613 1.00 57.59 ? 115 TRP b N 1 +ATOM 29203 C CA . TRP T 2 114 ? 42.910 -26.466 -7.706 1.00 59.08 ? 115 TRP b CA 1 +ATOM 29204 C C . TRP T 2 114 ? 43.110 -27.881 -7.156 1.00 62.16 ? 115 TRP b C 1 +ATOM 29205 O O . TRP T 2 114 ? 42.856 -28.136 -5.971 1.00 55.69 ? 115 TRP b O 1 +ATOM 29206 C CB . TRP T 2 114 ? 41.561 -26.357 -8.422 1.00 53.28 ? 115 TRP b CB 1 +ATOM 29207 C CG . TRP T 2 114 ? 40.369 -26.674 -7.542 1.00 55.28 ? 115 TRP b CG 1 +ATOM 29208 C CD1 . TRP T 2 114 ? 39.749 -27.889 -7.388 1.00 49.81 ? 115 TRP b CD1 1 +ATOM 29209 C CD2 . TRP T 2 114 ? 39.657 -25.759 -6.704 1.00 55.51 ? 115 TRP b CD2 1 +ATOM 29210 N NE1 . TRP T 2 114 ? 38.694 -27.774 -6.514 1.00 53.56 ? 115 TRP b NE1 1 +ATOM 29211 C CE2 . TRP T 2 114 ? 38.614 -26.480 -6.081 1.00 53.40 ? 115 TRP b CE2 1 +ATOM 29212 C CE3 . TRP T 2 114 ? 39.791 -24.392 -6.428 1.00 53.18 ? 115 TRP b CE3 1 +ATOM 29213 C CZ2 . TRP T 2 114 ? 37.715 -25.879 -5.197 1.00 56.39 ? 115 TRP b CZ2 1 +ATOM 29214 C CZ3 . TRP T 2 114 ? 38.903 -23.804 -5.568 1.00 53.17 ? 115 TRP b CZ3 1 +ATOM 29215 C CH2 . TRP T 2 114 ? 37.879 -24.546 -4.954 1.00 48.97 ? 115 TRP b CH2 1 +ATOM 29216 N N . VAL T 2 115 ? 43.549 -28.818 -8.003 1.00 56.01 ? 116 VAL b N 1 +ATOM 29217 C CA . VAL T 2 115 ? 43.698 -30.204 -7.570 1.00 56.14 ? 116 VAL b CA 1 +ATOM 29218 C C . VAL T 2 115 ? 44.935 -30.368 -6.691 1.00 59.82 ? 116 VAL b C 1 +ATOM 29219 O O . VAL T 2 115 ? 44.879 -31.001 -5.632 1.00 61.26 ? 116 VAL b O 1 +ATOM 29220 C CB . VAL T 2 115 ? 43.731 -31.142 -8.792 1.00 53.89 ? 116 VAL b CB 1 +ATOM 29221 C CG1 . VAL T 2 115 ? 44.059 -32.567 -8.371 1.00 51.71 ? 116 VAL b CG1 1 +ATOM 29222 C CG2 . VAL T 2 115 ? 42.403 -31.106 -9.502 1.00 52.26 ? 116 VAL b CG2 1 +ATOM 29223 N N . TYR T 2 116 ? 46.055 -29.786 -7.106 1.00 58.72 ? 117 TYR b N 1 +ATOM 29224 C CA . TYR T 2 116 ? 47.311 -29.867 -6.359 1.00 60.30 ? 117 TYR b CA 1 +ATOM 29225 C C . TYR T 2 116 ? 47.516 -28.618 -5.506 1.00 51.81 ? 117 TYR b C 1 +ATOM 29226 O O . TYR T 2 116 ? 48.483 -27.857 -5.649 1.00 58.29 ? 117 TYR b O 1 +ATOM 29227 C CB . TYR T 2 116 ? 48.481 -30.078 -7.311 1.00 54.14 ? 117 TYR b CB 1 +ATOM 29228 C CG . TYR T 2 116 ? 48.395 -31.369 -8.047 1.00 61.51 ? 117 TYR b CG 1 +ATOM 29229 C CD1 . TYR T 2 116 ? 48.598 -32.576 -7.389 1.00 65.65 ? 117 TYR b CD1 1 +ATOM 29230 C CD2 . TYR T 2 116 ? 48.113 -31.392 -9.408 1.00 64.68 ? 117 TYR b CD2 1 +ATOM 29231 C CE1 . TYR T 2 116 ? 48.523 -33.766 -8.067 1.00 69.49 ? 117 TYR b CE1 1 +ATOM 29232 C CE2 . TYR T 2 116 ? 48.041 -32.582 -10.096 1.00 59.94 ? 117 TYR b CE2 1 +ATOM 29233 C CZ . TYR T 2 116 ? 48.245 -33.757 -9.429 1.00 63.90 ? 117 TYR b CZ 1 +ATOM 29234 O OH . TYR T 2 116 ? 48.164 -34.936 -10.121 1.00 74.86 ? 117 TYR b OH 1 +ATOM 29235 N N . TRP T 2 117 ? 46.575 -28.420 -4.596 1.00 58.09 ? 118 TRP b N 1 +ATOM 29236 C CA . TRP T 2 117 ? 46.596 -27.230 -3.759 1.00 60.75 ? 118 TRP b CA 1 +ATOM 29237 C C . TRP T 2 117 ? 47.672 -27.299 -2.676 1.00 66.39 ? 118 TRP b C 1 +ATOM 29238 O O . TRP T 2 117 ? 48.198 -26.260 -2.268 1.00 68.43 ? 118 TRP b O 1 +ATOM 29239 C CB . TRP T 2 117 ? 45.217 -27.045 -3.124 1.00 59.82 ? 118 TRP b CB 1 +ATOM 29240 C CG . TRP T 2 117 ? 44.828 -28.238 -2.295 1.00 59.29 ? 118 TRP b CG 1 +ATOM 29241 C CD1 . TRP T 2 117 ? 44.162 -29.358 -2.717 1.00 56.06 ? 118 TRP b CD1 1 +ATOM 29242 C CD2 . TRP T 2 117 ? 45.109 -28.439 -0.906 1.00 58.23 ? 118 TRP b CD2 1 +ATOM 29243 N NE1 . TRP T 2 117 ? 43.998 -30.230 -1.669 1.00 57.65 ? 118 TRP b NE1 1 +ATOM 29244 C CE2 . TRP T 2 117 ? 44.576 -29.693 -0.549 1.00 66.33 ? 118 TRP b CE2 1 +ATOM 29245 C CE3 . TRP T 2 117 ? 45.753 -27.676 0.072 1.00 64.09 ? 118 TRP b CE3 1 +ATOM 29246 C CZ2 . TRP T 2 117 ? 44.672 -30.201 0.746 1.00 67.61 ? 118 TRP b CZ2 1 +ATOM 29247 C CZ3 . TRP T 2 117 ? 45.841 -28.180 1.358 1.00 61.12 ? 118 TRP b CZ3 1 +ATOM 29248 C CH2 . TRP T 2 117 ? 45.307 -29.430 1.680 1.00 63.79 ? 118 TRP b CH2 1 +ATOM 29249 N N . ASP T 2 118 ? 48.013 -28.500 -2.208 1.00 69.79 ? 119 ASP b N 1 +ATOM 29250 C CA . ASP T 2 118 ? 48.865 -28.668 -1.031 1.00 64.98 ? 119 ASP b CA 1 +ATOM 29251 C C . ASP T 2 118 ? 50.345 -28.694 -1.420 1.00 59.45 ? 119 ASP b C 1 +ATOM 29252 O O . ASP T 2 118 ? 51.058 -29.654 -1.185 1.00 69.55 ? 119 ASP b O 1 +ATOM 29253 C CB . ASP T 2 118 ? 48.467 -29.934 -0.282 1.00 65.63 ? 119 ASP b CB 1 +ATOM 29254 C CG . ASP T 2 118 ? 49.082 -30.020 1.114 1.00 81.09 ? 119 ASP b CG 1 +ATOM 29255 O OD1 . ASP T 2 118 ? 49.584 -28.994 1.629 1.00 81.06 ? 119 ASP b OD1 1 +ATOM 29256 O OD2 . ASP T 2 118 ? 49.059 -31.124 1.703 1.00 93.92 ? 119 ASP b OD2 1 +ATOM 29257 N N . LEU T 2 119 ? 50.804 -27.603 -2.020 1.00 69.73 ? 120 LEU b N 1 +ATOM 29258 C CA . LEU T 2 119 ? 52.198 -27.499 -2.424 1.00 73.20 ? 120 LEU b CA 1 +ATOM 29259 C C . LEU T 2 119 ? 53.064 -27.076 -1.245 1.00 77.71 ? 120 LEU b C 1 +ATOM 29260 O O . LEU T 2 119 ? 52.641 -26.307 -0.374 1.00 77.38 ? 120 LEU b O 1 +ATOM 29261 C CB . LEU T 2 119 ? 52.353 -26.504 -3.578 1.00 69.68 ? 120 LEU b CB 1 +ATOM 29262 C CG . LEU T 2 119 ? 51.654 -26.926 -4.878 1.00 68.46 ? 120 LEU b CG 1 +ATOM 29263 C CD1 . LEU T 2 119 ? 51.986 -25.980 -6.041 1.00 70.40 ? 120 LEU b CD1 1 +ATOM 29264 C CD2 . LEU T 2 119 ? 52.016 -28.358 -5.238 1.00 62.15 ? 120 LEU b CD2 1 +ATOM 29265 N N . GLU T 2 120 ? 54.293 -27.593 -1.219 1.00 73.43 ? 121 GLU b N 1 +ATOM 29266 C CA . GLU T 2 120 ? 55.188 -27.286 -0.108 1.00 76.71 ? 121 GLU b CA 1 +ATOM 29267 C C . GLU T 2 120 ? 55.608 -25.821 -0.118 1.00 70.06 ? 121 GLU b C 1 +ATOM 29268 O O . GLU T 2 120 ? 55.835 -25.236 0.950 1.00 65.63 ? 121 GLU b O 1 +ATOM 29269 C CB . GLU T 2 120 ? 56.408 -28.209 -0.156 1.00 76.05 ? 121 GLU b CB 1 +ATOM 29270 C CG . GLU T 2 120 ? 57.306 -28.145 1.066 1.00 83.35 ? 121 GLU b CG 1 +ATOM 29271 C CD . GLU T 2 120 ? 58.483 -27.207 0.862 1.00 95.42 ? 121 GLU b CD 1 +ATOM 29272 O OE1 . GLU T 2 120 ? 59.021 -26.703 1.871 1.00 96.52 ? 121 GLU b OE1 1 +ATOM 29273 O OE2 . GLU T 2 120 ? 58.865 -26.967 -0.309 1.00 93.05 ? 121 GLU b OE2 1 +ATOM 29274 N N . LEU T 2 121 ? 55.687 -25.210 -1.305 1.00 64.30 ? 122 LEU b N 1 +ATOM 29275 C CA . LEU T 2 121 ? 56.048 -23.797 -1.421 1.00 60.94 ? 122 LEU b CA 1 +ATOM 29276 C C . LEU T 2 121 ? 55.156 -22.895 -0.578 1.00 61.72 ? 122 LEU b C 1 +ATOM 29277 O O . LEU T 2 121 ? 55.593 -21.825 -0.145 1.00 70.70 ? 122 LEU b O 1 +ATOM 29278 C CB . LEU T 2 121 ? 55.985 -23.369 -2.893 1.00 60.30 ? 122 LEU b CB 1 +ATOM 29279 C CG . LEU T 2 121 ? 56.285 -21.915 -3.276 1.00 72.67 ? 122 LEU b CG 1 +ATOM 29280 C CD1 . LEU T 2 121 ? 57.658 -21.497 -2.788 1.00 66.84 ? 122 LEU b CD1 1 +ATOM 29281 C CD2 . LEU T 2 121 ? 56.181 -21.735 -4.782 1.00 58.19 ? 122 LEU b CD2 1 +ATOM 29282 N N . PHE T 2 122 ? 53.918 -23.309 -0.316 1.00 62.87 ? 123 PHE b N 1 +ATOM 29283 C CA . PHE T 2 122 ? 52.951 -22.452 0.359 1.00 71.41 ? 123 PHE b CA 1 +ATOM 29284 C C . PHE T 2 122 ? 52.974 -22.582 1.874 1.00 69.02 ? 123 PHE b C 1 +ATOM 29285 O O . PHE T 2 122 ? 52.247 -21.845 2.551 1.00 74.95 ? 123 PHE b O 1 +ATOM 29286 C CB . PHE T 2 122 ? 51.532 -22.758 -0.136 1.00 71.82 ? 123 PHE b CB 1 +ATOM 29287 C CG . PHE T 2 122 ? 51.364 -22.627 -1.612 1.00 59.85 ? 123 PHE b CG 1 +ATOM 29288 C CD1 . PHE T 2 122 ? 52.015 -21.609 -2.314 1.00 55.71 ? 123 PHE b CD1 1 +ATOM 29289 C CD2 . PHE T 2 122 ? 50.560 -23.520 -2.304 1.00 51.83 ? 123 PHE b CD2 1 +ATOM 29290 C CE1 . PHE T 2 122 ? 51.863 -21.492 -3.685 1.00 58.63 ? 123 PHE b CE1 1 +ATOM 29291 C CE2 . PHE T 2 122 ? 50.403 -23.410 -3.691 1.00 54.52 ? 123 PHE b CE2 1 +ATOM 29292 C CZ . PHE T 2 122 ? 51.049 -22.399 -4.377 1.00 56.44 ? 123 PHE b CZ 1 +ATOM 29293 N N . ARG T 2 123 ? 53.754 -23.504 2.418 1.00 76.31 ? 124 ARG b N 1 +ATOM 29294 C CA . ARG T 2 123 ? 53.825 -23.712 3.855 1.00 85.56 ? 124 ARG b CA 1 +ATOM 29295 C C . ARG T 2 123 ? 55.037 -22.984 4.416 1.00 72.79 ? 124 ARG b C 1 +ATOM 29296 O O . ARG T 2 123 ? 56.096 -22.941 3.783 1.00 76.38 ? 124 ARG b O 1 +ATOM 29297 C CB . ARG T 2 123 ? 53.910 -25.199 4.188 1.00 71.66 ? 124 ARG b CB 1 +ATOM 29298 C CG . ARG T 2 123 ? 52.829 -26.047 3.544 1.00 86.10 ? 124 ARG b CG 1 +ATOM 29299 C CD . ARG T 2 123 ? 51.502 -25.941 4.282 1.00 88.26 ? 124 ARG b CD 1 +ATOM 29300 N NE . ARG T 2 123 ? 50.657 -27.099 4.008 1.00 91.18 ? 124 ARG b NE 1 +ATOM 29301 C CZ . ARG T 2 123 ? 49.659 -27.506 4.783 1.00 95.18 ? 124 ARG b CZ 1 +ATOM 29302 N NH1 . ARG T 2 123 ? 49.335 -26.861 5.893 1.00 94.84 ? 124 ARG b NH1 1 +ATOM 29303 N NH2 . ARG T 2 123 ? 48.976 -28.595 4.441 1.00 86.99 ? 124 ARG b NH2 1 +ATOM 29304 N N . ASP T 2 124 ? 54.872 -22.390 5.584 1.00 79.85 ? 125 ASP b N 1 +ATOM 29305 C CA . ASP T 2 124 ? 56.022 -21.828 6.273 1.00 74.06 ? 125 ASP b CA 1 +ATOM 29306 C C . ASP T 2 124 ? 56.931 -22.972 6.704 1.00 90.82 ? 125 ASP b C 1 +ATOM 29307 O O . ASP T 2 124 ? 56.451 -23.946 7.304 1.00 81.51 ? 125 ASP b O 1 +ATOM 29308 C CB . ASP T 2 124 ? 55.589 -21.001 7.474 1.00 108.81 ? 125 ASP b CB 1 +ATOM 29309 C CG . ASP T 2 124 ? 56.762 -20.367 8.198 1.00 107.60 ? 125 ASP b CG 1 +ATOM 29310 O OD1 . ASP T 2 124 ? 57.414 -21.076 8.992 1.00 100.14 ? 125 ASP b OD1 1 +ATOM 29311 O OD2 . ASP T 2 124 ? 57.040 -19.167 7.952 1.00 105.61 ? 125 ASP b OD2 1 +ATOM 29312 N N . PRO T 2 125 ? 58.227 -22.916 6.392 1.00 106.53 ? 126 PRO b N 1 +ATOM 29313 C CA . PRO T 2 125 ? 59.092 -24.062 6.720 1.00 109.24 ? 126 PRO b CA 1 +ATOM 29314 C C . PRO T 2 125 ? 59.139 -24.352 8.211 1.00 122.87 ? 126 PRO b C 1 +ATOM 29315 O O . PRO T 2 125 ? 59.173 -25.524 8.606 1.00 121.35 ? 126 PRO b O 1 +ATOM 29316 C CB . PRO T 2 125 ? 60.462 -23.638 6.166 1.00 97.88 ? 126 PRO b CB 1 +ATOM 29317 C CG . PRO T 2 125 ? 60.178 -22.496 5.210 1.00 96.68 ? 126 PRO b CG 1 +ATOM 29318 C CD . PRO T 2 125 ? 58.974 -21.807 5.772 1.00 106.59 ? 126 PRO b CD 1 +ATOM 29319 N N . ARG T 2 126 ? 59.104 -23.312 9.053 1.00 105.02 ? 127 ARG b N 1 +ATOM 29320 C CA . ARG T 2 126 ? 59.139 -23.512 10.499 1.00 118.25 ? 127 ARG b CA 1 +ATOM 29321 C C . ARG T 2 126 ? 57.823 -24.084 11.017 1.00 110.76 ? 127 ARG b C 1 +ATOM 29322 O O . ARG T 2 126 ? 57.788 -25.187 11.574 1.00 105.94 ? 127 ARG b O 1 +ATOM 29323 C CB . ARG T 2 126 ? 59.460 -22.193 11.207 1.00 124.34 ? 127 ARG b CB 1 +ATOM 29324 C CG . ARG T 2 126 ? 60.755 -21.536 10.760 1.00 125.98 ? 127 ARG b CG 1 +ATOM 29325 C CD . ARG T 2 126 ? 60.490 -20.342 9.852 1.00 146.51 ? 127 ARG b CD 1 +ATOM 29326 N NE . ARG T 2 126 ? 59.720 -19.300 10.523 1.00 158.64 ? 127 ARG b NE 1 +ATOM 29327 C CZ . ARG T 2 126 ? 59.366 -18.148 9.965 1.00 151.89 ? 127 ARG b CZ 1 +ATOM 29328 N NH1 . ARG T 2 126 ? 58.619 -17.267 10.612 1.00 149.03 ? 127 ARG b NH1 1 +ATOM 29329 N NH2 . ARG T 2 126 ? 59.768 -17.873 8.726 1.00 133.86 ? 127 ARG b NH2 1 +ATOM 29330 N N . THR T 2 127 ? 56.723 -23.343 10.850 1.00 106.16 ? 128 THR b N 1 +ATOM 29331 C CA . THR T 2 127 ? 55.456 -23.754 11.450 1.00 97.09 ? 128 THR b CA 1 +ATOM 29332 C C . THR T 2 127 ? 54.758 -24.857 10.657 1.00 97.88 ? 128 THR b C 1 +ATOM 29333 O O . THR T 2 127 ? 54.002 -25.644 11.241 1.00 82.16 ? 128 THR b O 1 +ATOM 29334 C CB . THR T 2 127 ? 54.520 -22.550 11.594 1.00 104.14 ? 128 THR b CB 1 +ATOM 29335 O OG1 . THR T 2 127 ? 53.533 -22.587 10.559 1.00 93.48 ? 128 THR b OG1 1 +ATOM 29336 C CG2 . THR T 2 127 ? 55.296 -21.242 11.485 1.00 97.30 ? 128 THR b CG2 1 +ATOM 29337 N N . GLY T 2 128 ? 54.984 -24.935 9.342 1.00 102.69 ? 129 GLY b N 1 +ATOM 29338 C CA . GLY T 2 128 ? 54.284 -25.889 8.501 1.00 76.76 ? 129 GLY b CA 1 +ATOM 29339 C C . GLY T 2 128 ? 52.855 -25.513 8.159 1.00 88.86 ? 129 GLY b C 1 +ATOM 29340 O O . GLY T 2 128 ? 52.154 -26.312 7.523 1.00 84.55 ? 129 GLY b O 1 +ATOM 29341 N N . GLU T 2 129 ? 52.399 -24.335 8.567 1.00 79.31 ? 130 GLU b N 1 +ATOM 29342 C CA . GLU T 2 129 ? 51.102 -23.790 8.209 1.00 91.05 ? 130 GLU b CA 1 +ATOM 29343 C C . GLU T 2 129 ? 51.203 -23.000 6.912 1.00 74.79 ? 130 GLU b C 1 +ATOM 29344 O O . GLU T 2 129 ? 52.295 -22.607 6.492 1.00 77.00 ? 130 GLU b O 1 +ATOM 29345 C CB . GLU T 2 129 ? 50.589 -22.890 9.333 1.00 88.68 ? 130 GLU b CB 1 +ATOM 29346 C CG . GLU T 2 129 ? 50.343 -23.586 10.650 1.00 100.70 ? 130 GLU b CG 1 +ATOM 29347 C CD . GLU T 2 129 ? 50.319 -22.602 11.799 1.00 143.65 ? 130 GLU b CD 1 +ATOM 29348 O OE1 . GLU T 2 129 ? 50.754 -21.447 11.583 1.00 128.97 ? 130 GLU b OE1 1 +ATOM 29349 O OE2 . GLU T 2 129 ? 49.870 -22.976 12.909 1.00 161.10 ? 130 GLU b OE2 1 +ATOM 29350 N N . PRO T 2 130 ? 50.080 -22.745 6.248 1.00 73.20 ? 131 PRO b N 1 +ATOM 29351 C CA . PRO T 2 130 ? 50.131 -21.919 5.038 1.00 65.58 ? 131 PRO b CA 1 +ATOM 29352 C C . PRO T 2 130 ? 50.617 -20.523 5.377 1.00 62.19 ? 131 PRO b C 1 +ATOM 29353 O O . PRO T 2 130 ? 50.215 -19.940 6.383 1.00 67.01 ? 131 PRO b O 1 +ATOM 29354 C CB . PRO T 2 130 ? 48.677 -21.905 4.550 1.00 75.28 ? 131 PRO b CB 1 +ATOM 29355 C CG . PRO T 2 130 ? 48.012 -23.042 5.242 1.00 74.05 ? 131 PRO b CG 1 +ATOM 29356 C CD . PRO T 2 130 ? 48.712 -23.196 6.552 1.00 70.52 ? 131 PRO b CD 1 +ATOM 29357 N N . ALA T 2 131 ? 51.493 -19.986 4.531 1.00 62.20 ? 132 ALA b N 1 +ATOM 29358 C CA . ALA T 2 131 ? 52.086 -18.686 4.811 1.00 64.67 ? 132 ALA b CA 1 +ATOM 29359 C C . ALA T 2 131 ? 52.623 -18.082 3.529 1.00 64.63 ? 132 ALA b C 1 +ATOM 29360 O O . ALA T 2 131 ? 53.351 -18.744 2.785 1.00 71.52 ? 132 ALA b O 1 +ATOM 29361 C CB . ALA T 2 131 ? 53.207 -18.803 5.851 1.00 74.95 ? 132 ALA b CB 1 +ATOM 29362 N N . LEU T 2 132 ? 52.258 -16.829 3.273 1.00 64.44 ? 133 LEU b N 1 +ATOM 29363 C CA . LEU T 2 132 ? 52.788 -16.068 2.152 1.00 64.75 ? 133 LEU b CA 1 +ATOM 29364 C C . LEU T 2 132 ? 53.521 -14.862 2.713 1.00 61.04 ? 133 LEU b C 1 +ATOM 29365 O O . LEU T 2 132 ? 52.967 -14.133 3.540 1.00 74.38 ? 133 LEU b O 1 +ATOM 29366 C CB . LEU T 2 132 ? 51.668 -15.618 1.192 1.00 60.17 ? 133 LEU b CB 1 +ATOM 29367 C CG . LEU T 2 132 ? 50.914 -16.740 0.475 1.00 63.45 ? 133 LEU b CG 1 +ATOM 29368 C CD1 . LEU T 2 132 ? 49.804 -16.181 -0.395 1.00 67.00 ? 133 LEU b CD1 1 +ATOM 29369 C CD2 . LEU T 2 132 ? 51.880 -17.539 -0.373 1.00 64.62 ? 133 LEU b CD2 1 +ATOM 29370 N N . ASP T 2 133 ? 54.760 -14.654 2.274 1.00 61.99 ? 134 ASP b N 1 +ATOM 29371 C CA . ASP T 2 133 ? 55.529 -13.479 2.685 1.00 56.26 ? 134 ASP b CA 1 +ATOM 29372 C C . ASP T 2 133 ? 55.085 -12.307 1.820 1.00 56.67 ? 134 ASP b C 1 +ATOM 29373 O O . ASP T 2 133 ? 55.716 -11.942 0.822 1.00 59.01 ? 134 ASP b O 1 +ATOM 29374 C CB . ASP T 2 133 ? 57.027 -13.749 2.572 1.00 74.55 ? 134 ASP b CB 1 +ATOM 29375 C CG . ASP T 2 133 ? 57.882 -12.623 3.155 1.00 65.01 ? 134 ASP b CG 1 +ATOM 29376 O OD1 . ASP T 2 133 ? 57.329 -11.691 3.774 1.00 65.71 ? 134 ASP b OD1 1 +ATOM 29377 O OD2 . ASP T 2 133 ? 59.121 -12.675 2.985 1.00 76.99 ? 134 ASP b OD2 1 +ATOM 29378 N N . LEU T 2 134 ? 53.964 -11.704 2.216 1.00 60.84 ? 135 LEU b N 1 +ATOM 29379 C CA . LEU T 2 134 ? 53.394 -10.618 1.416 1.00 56.93 ? 135 LEU b CA 1 +ATOM 29380 C C . LEU T 2 134 ? 54.353 -9.454 1.164 1.00 53.09 ? 135 LEU b C 1 +ATOM 29381 O O . LEU T 2 134 ? 54.339 -8.921 0.041 1.00 60.46 ? 135 LEU b O 1 +ATOM 29382 C CB . LEU T 2 134 ? 52.099 -10.118 2.073 1.00 54.57 ? 135 LEU b CB 1 +ATOM 29383 C CG . LEU T 2 134 ? 51.047 -11.209 2.279 1.00 66.60 ? 135 LEU b CG 1 +ATOM 29384 C CD1 . LEU T 2 134 ? 49.918 -10.738 3.172 1.00 49.89 ? 135 LEU b CD1 1 +ATOM 29385 C CD2 . LEU T 2 134 ? 50.507 -11.677 0.924 1.00 64.01 ? 135 LEU b CD2 1 +ATOM 29386 N N . PRO T 2 135 ? 55.190 -9.011 2.116 1.00 61.75 ? 136 PRO b N 1 +ATOM 29387 C CA . PRO T 2 135 ? 56.115 -7.908 1.794 1.00 52.70 ? 136 PRO b CA 1 +ATOM 29388 C C . PRO T 2 135 ? 57.088 -8.231 0.677 1.00 52.13 ? 136 PRO b C 1 +ATOM 29389 O O . PRO T 2 135 ? 57.350 -7.378 -0.174 1.00 57.96 ? 136 PRO b O 1 +ATOM 29390 C CB . PRO T 2 135 ? 56.839 -7.666 3.132 1.00 64.67 ? 136 PRO b CB 1 +ATOM 29391 C CG . PRO T 2 135 ? 55.876 -8.106 4.156 1.00 56.44 ? 136 PRO b CG 1 +ATOM 29392 C CD . PRO T 2 135 ? 55.211 -9.317 3.563 1.00 51.63 ? 136 PRO b CD 1 +ATOM 29393 N N . LYS T 2 136 ? 57.640 -9.439 0.645 1.00 56.19 ? 137 LYS b N 1 +ATOM 29394 C CA . LYS T 2 136 ? 58.584 -9.738 -0.417 1.00 66.70 ? 137 LYS b CA 1 +ATOM 29395 C C . LYS T 2 136 ? 57.864 -10.063 -1.722 1.00 64.75 ? 137 LYS b C 1 +ATOM 29396 O O . LYS T 2 136 ? 58.382 -9.770 -2.810 1.00 61.27 ? 137 LYS b O 1 +ATOM 29397 C CB . LYS T 2 136 ? 59.502 -10.890 -0.007 1.00 57.90 ? 137 LYS b CB 1 +ATOM 29398 C CG . LYS T 2 136 ? 60.669 -11.061 -0.990 1.00 61.02 ? 137 LYS b CG 1 +ATOM 29399 C CD . LYS T 2 136 ? 61.467 -12.306 -0.712 1.00 75.86 ? 137 LYS b CD 1 +ATOM 29400 C CE . LYS T 2 136 ? 62.149 -12.216 0.647 1.00 77.61 ? 137 LYS b CE 1 +ATOM 29401 N NZ . LYS T 2 136 ? 62.420 -13.586 1.167 1.00 91.40 ? 137 LYS b NZ 1 +ATOM 29402 N N . MET T 2 137 ? 56.682 -10.676 -1.632 1.00 62.03 ? 138 MET b N 1 +ATOM 29403 C CA . MET T 2 137 ? 55.843 -10.830 -2.810 1.00 60.32 ? 138 MET b CA 1 +ATOM 29404 C C . MET T 2 137 ? 55.642 -9.488 -3.493 1.00 62.22 ? 138 MET b C 1 +ATOM 29405 O O . MET T 2 137 ? 55.794 -9.366 -4.717 1.00 55.39 ? 138 MET b O 1 +ATOM 29406 C CB . MET T 2 137 ? 54.499 -11.443 -2.421 1.00 63.44 ? 138 MET b CB 1 +ATOM 29407 C CG . MET T 2 137 ? 54.545 -12.927 -2.170 1.00 59.03 ? 138 MET b CG 1 +ATOM 29408 S SD . MET T 2 137 ? 52.996 -13.532 -1.491 1.00 66.19 ? 138 MET b SD 1 +ATOM 29409 C CE . MET T 2 137 ? 51.862 -12.813 -2.686 1.00 57.15 ? 138 MET b CE 1 +ATOM 29410 N N . PHE T 2 138 ? 55.343 -8.453 -2.701 1.00 59.83 ? 139 PHE b N 1 +ATOM 29411 C CA . PHE T 2 138 ? 55.111 -7.139 -3.283 1.00 60.66 ? 139 PHE b CA 1 +ATOM 29412 C C . PHE T 2 138 ? 56.343 -6.624 -4.020 1.00 59.69 ? 139 PHE b C 1 +ATOM 29413 O O . PHE T 2 138 ? 56.221 -5.975 -5.062 1.00 61.39 ? 139 PHE b O 1 +ATOM 29414 C CB . PHE T 2 138 ? 54.685 -6.139 -2.212 1.00 56.40 ? 139 PHE b CB 1 +ATOM 29415 C CG . PHE T 2 138 ? 54.583 -4.744 -2.732 1.00 66.12 ? 139 PHE b CG 1 +ATOM 29416 C CD1 . PHE T 2 138 ? 53.557 -4.396 -3.600 1.00 56.02 ? 139 PHE b CD1 1 +ATOM 29417 C CD2 . PHE T 2 138 ? 55.536 -3.791 -2.403 1.00 53.10 ? 139 PHE b CD2 1 +ATOM 29418 C CE1 . PHE T 2 138 ? 53.454 -3.097 -4.101 1.00 61.45 ? 139 PHE b CE1 1 +ATOM 29419 C CE2 . PHE T 2 138 ? 55.449 -2.499 -2.911 1.00 66.78 ? 139 PHE b CE2 1 +ATOM 29420 C CZ . PHE T 2 138 ? 54.405 -2.150 -3.764 1.00 60.81 ? 139 PHE b CZ 1 +ATOM 29421 N N . GLY T 2 139 ? 57.537 -6.881 -3.489 1.00 63.34 ? 140 GLY b N 1 +ATOM 29422 C CA . GLY T 2 139 ? 58.737 -6.415 -4.167 1.00 58.33 ? 140 GLY b CA 1 +ATOM 29423 C C . GLY T 2 139 ? 58.954 -7.113 -5.495 1.00 65.33 ? 140 GLY b C 1 +ATOM 29424 O O . GLY T 2 139 ? 59.258 -6.469 -6.505 1.00 63.63 ? 140 GLY b O 1 +ATOM 29425 N N . ILE T 2 140 ? 58.792 -8.442 -5.509 1.00 65.17 ? 141 ILE b N 1 +ATOM 29426 C CA . ILE T 2 140 ? 58.899 -9.213 -6.743 1.00 56.65 ? 141 ILE b CA 1 +ATOM 29427 C C . ILE T 2 140 ? 57.930 -8.675 -7.789 1.00 65.71 ? 141 ILE b C 1 +ATOM 29428 O O . ILE T 2 140 ? 58.316 -8.339 -8.916 1.00 60.28 ? 141 ILE b O 1 +ATOM 29429 C CB . ILE T 2 140 ? 58.640 -10.700 -6.447 1.00 69.21 ? 141 ILE b CB 1 +ATOM 29430 C CG1 . ILE T 2 140 ? 59.714 -11.251 -5.508 1.00 61.33 ? 141 ILE b CG1 1 +ATOM 29431 C CG2 . ILE T 2 140 ? 58.555 -11.523 -7.741 1.00 66.13 ? 141 ILE b CG2 1 +ATOM 29432 C CD1 . ILE T 2 140 ? 59.405 -12.625 -4.993 1.00 59.82 ? 141 ILE b CD1 1 +ATOM 29433 N N . HIS T 2 141 ? 56.657 -8.551 -7.418 1.00 62.01 ? 142 HIS b N 1 +ATOM 29434 C CA . HIS T 2 141 ? 55.655 -8.113 -8.380 1.00 56.97 ? 142 HIS b CA 1 +ATOM 29435 C C . HIS T 2 141 ? 55.890 -6.668 -8.819 1.00 57.54 ? 142 HIS b C 1 +ATOM 29436 O O . HIS T 2 141 ? 55.687 -6.331 -9.992 1.00 58.30 ? 142 HIS b O 1 +ATOM 29437 C CB . HIS T 2 141 ? 54.253 -8.327 -7.794 1.00 55.44 ? 142 HIS b CB 1 +ATOM 29438 C CG . HIS T 2 141 ? 53.895 -9.775 -7.593 1.00 54.00 ? 142 HIS b CG 1 +ATOM 29439 N ND1 . HIS T 2 141 ? 52.848 -10.182 -6.793 1.00 52.54 ? 142 HIS b ND1 1 +ATOM 29440 C CD2 . HIS T 2 141 ? 54.446 -10.912 -8.092 1.00 57.21 ? 142 HIS b CD2 1 +ATOM 29441 C CE1 . HIS T 2 141 ? 52.769 -11.504 -6.802 1.00 55.95 ? 142 HIS b CE1 1 +ATOM 29442 N NE2 . HIS T 2 141 ? 53.728 -11.977 -7.584 1.00 61.83 ? 142 HIS b NE2 1 +ATOM 29443 N N . LEU T 2 142 ? 56.366 -5.806 -7.917 1.00 58.79 ? 143 LEU b N 1 +ATOM 29444 C CA . LEU T 2 142 ? 56.628 -4.416 -8.305 1.00 53.13 ? 143 LEU b CA 1 +ATOM 29445 C C . LEU T 2 142 ? 57.810 -4.320 -9.268 1.00 48.78 ? 143 LEU b C 1 +ATOM 29446 O O . LEU T 2 142 ? 57.766 -3.570 -10.257 1.00 57.22 ? 143 LEU b O 1 +ATOM 29447 C CB . LEU T 2 142 ? 56.868 -3.572 -7.059 1.00 56.26 ? 143 LEU b CB 1 +ATOM 29448 C CG . LEU T 2 142 ? 57.209 -2.091 -7.251 1.00 63.59 ? 143 LEU b CG 1 +ATOM 29449 C CD1 . LEU T 2 142 ? 56.097 -1.352 -7.965 1.00 51.12 ? 143 LEU b CD1 1 +ATOM 29450 C CD2 . LEU T 2 142 ? 57.467 -1.497 -5.877 1.00 58.52 ? 143 LEU b CD2 1 +ATOM 29451 N N . PHE T 2 143 ? 58.873 -5.076 -8.992 1.00 56.29 ? 144 PHE b N 1 +ATOM 29452 C CA . PHE T 2 143 ? 59.998 -5.189 -9.915 1.00 59.32 ? 144 PHE b CA 1 +ATOM 29453 C C . PHE T 2 143 ? 59.526 -5.626 -11.302 1.00 66.98 ? 144 PHE b C 1 +ATOM 29454 O O . PHE T 2 143 ? 59.901 -5.032 -12.323 1.00 63.42 ? 144 PHE b O 1 +ATOM 29455 C CB . PHE T 2 143 ? 61.018 -6.182 -9.339 1.00 65.89 ? 144 PHE b CB 1 +ATOM 29456 C CG . PHE T 2 143 ? 62.229 -6.395 -10.207 1.00 74.72 ? 144 PHE b CG 1 +ATOM 29457 C CD1 . PHE T 2 143 ? 63.264 -5.471 -10.217 1.00 71.77 ? 144 PHE b CD1 1 +ATOM 29458 C CD2 . PHE T 2 143 ? 62.346 -7.533 -10.994 1.00 73.60 ? 144 PHE b CD2 1 +ATOM 29459 C CE1 . PHE T 2 143 ? 64.377 -5.663 -11.014 1.00 70.05 ? 144 PHE b CE1 1 +ATOM 29460 C CE2 . PHE T 2 143 ? 63.461 -7.726 -11.790 1.00 83.15 ? 144 PHE b CE2 1 +ATOM 29461 C CZ . PHE T 2 143 ? 64.478 -6.783 -11.794 1.00 72.63 ? 144 PHE b CZ 1 +ATOM 29462 N N . LEU T 2 144 ? 58.670 -6.651 -11.346 1.00 58.99 ? 145 LEU b N 1 +ATOM 29463 C CA . LEU T 2 144 ? 58.136 -7.134 -12.615 1.00 54.32 ? 145 LEU b CA 1 +ATOM 29464 C C . LEU T 2 144 ? 57.314 -6.068 -13.307 1.00 57.23 ? 145 LEU b C 1 +ATOM 29465 O O . LEU T 2 144 ? 57.465 -5.836 -14.516 1.00 60.97 ? 145 LEU b O 1 +ATOM 29466 C CB . LEU T 2 144 ? 57.286 -8.381 -12.383 1.00 57.82 ? 145 LEU b CB 1 +ATOM 29467 C CG . LEU T 2 144 ? 58.145 -9.560 -12.002 1.00 67.60 ? 145 LEU b CG 1 +ATOM 29468 C CD1 . LEU T 2 144 ? 57.242 -10.705 -11.583 1.00 75.71 ? 145 LEU b CD1 1 +ATOM 29469 C CD2 . LEU T 2 144 ? 59.025 -9.924 -13.198 1.00 80.18 ? 145 LEU b CD2 1 +ATOM 29470 N N . ALA T 2 145 ? 56.414 -5.422 -12.562 1.00 57.72 ? 146 ALA b N 1 +ATOM 29471 C CA . ALA T 2 145 ? 55.618 -4.350 -13.157 1.00 61.16 ? 146 ALA b CA 1 +ATOM 29472 C C . ALA T 2 145 ? 56.510 -3.259 -13.728 1.00 61.08 ? 146 ALA b C 1 +ATOM 29473 O O . ALA T 2 145 ? 56.210 -2.691 -14.789 1.00 65.79 ? 146 ALA b O 1 +ATOM 29474 C CB . ALA T 2 145 ? 54.648 -3.778 -12.121 1.00 54.25 ? 146 ALA b CB 1 +ATOM 29475 N N . GLY T 2 146 ? 57.625 -2.967 -13.050 1.00 61.81 ? 147 GLY b N 1 +ATOM 29476 C CA . GLY T 2 146 ? 58.507 -1.904 -13.511 1.00 58.56 ? 147 GLY b CA 1 +ATOM 29477 C C . GLY T 2 146 ? 59.231 -2.254 -14.797 1.00 61.68 ? 147 GLY b C 1 +ATOM 29478 O O . GLY T 2 146 ? 59.350 -1.419 -15.701 1.00 61.14 ? 147 GLY b O 1 +ATOM 29479 N N . LEU T 2 147 ? 59.757 -3.482 -14.883 1.00 61.01 ? 148 LEU b N 1 +ATOM 29480 C CA . LEU T 2 147 ? 60.333 -3.963 -16.133 1.00 61.92 ? 148 LEU b CA 1 +ATOM 29481 C C . LEU T 2 147 ? 59.337 -3.818 -17.271 1.00 70.66 ? 148 LEU b C 1 +ATOM 29482 O O . LEU T 2 147 ? 59.643 -3.248 -18.327 1.00 65.02 ? 148 LEU b O 1 +ATOM 29483 C CB . LEU T 2 147 ? 60.738 -5.433 -16.005 1.00 65.57 ? 148 LEU b CB 1 +ATOM 29484 C CG . LEU T 2 147 ? 62.008 -5.835 -15.262 1.00 83.44 ? 148 LEU b CG 1 +ATOM 29485 C CD1 . LEU T 2 147 ? 62.221 -7.341 -15.383 1.00 77.90 ? 148 LEU b CD1 1 +ATOM 29486 C CD2 . LEU T 2 147 ? 63.197 -5.081 -15.831 1.00 83.50 ? 148 LEU b CD2 1 +ATOM 29487 N N A LEU T 2 148 ? 58.134 -4.332 -17.068 0.50 59.22 ? 149 LEU b N 1 +ATOM 29488 N N B LEU T 2 148 ? 58.125 -4.347 -17.068 0.50 59.22 ? 149 LEU b N 1 +ATOM 29489 C CA A LEU T 2 148 ? 57.129 -4.305 -18.125 0.50 63.02 ? 149 LEU b CA 1 +ATOM 29490 C CA B LEU T 2 148 ? 57.092 -4.303 -18.100 0.50 63.00 ? 149 LEU b CA 1 +ATOM 29491 C C A LEU T 2 148 ? 56.731 -2.875 -18.477 0.50 63.72 ? 149 LEU b C 1 +ATOM 29492 C C B LEU T 2 148 ? 56.748 -2.870 -18.474 0.50 63.74 ? 149 LEU b C 1 +ATOM 29493 O O A LEU T 2 148 ? 56.585 -2.538 -19.659 0.50 61.02 ? 149 LEU b O 1 +ATOM 29494 O O B LEU T 2 148 ? 56.657 -2.527 -19.660 0.50 61.06 ? 149 LEU b O 1 +ATOM 29495 C CB A LEU T 2 148 ? 55.914 -5.127 -17.694 0.50 62.85 ? 149 LEU b CB 1 +ATOM 29496 C CB B LEU T 2 148 ? 55.837 -5.030 -17.618 0.50 62.86 ? 149 LEU b CB 1 +ATOM 29497 C CG A LEU T 2 148 ? 54.962 -5.635 -18.775 0.50 69.73 ? 149 LEU b CG 1 +ATOM 29498 C CG B LEU T 2 148 ? 55.910 -6.540 -17.427 0.50 61.11 ? 149 LEU b CG 1 +ATOM 29499 C CD1 A LEU T 2 148 ? 55.733 -6.268 -19.930 0.50 53.08 ? 149 LEU b CD1 1 +ATOM 29500 C CD1 B LEU T 2 148 ? 54.601 -7.035 -16.859 0.50 62.23 ? 149 LEU b CD1 1 +ATOM 29501 C CD2 A LEU T 2 148 ? 53.987 -6.633 -18.164 0.50 60.43 ? 149 LEU b CD2 1 +ATOM 29502 C CD2 B LEU T 2 148 ? 56.205 -7.208 -18.754 0.50 60.97 ? 149 LEU b CD2 1 +ATOM 29503 N N . CYS T 2 149 ? 56.529 -2.023 -17.465 1.00 57.48 ? 150 CYS b N 1 +ATOM 29504 C CA . CYS T 2 149 ? 56.232 -0.614 -17.715 1.00 54.82 ? 150 CYS b CA 1 +ATOM 29505 C C . CYS T 2 149 ? 57.359 0.047 -18.500 1.00 55.62 ? 150 CYS b C 1 +ATOM 29506 O O . CYS T 2 149 ? 57.125 0.732 -19.505 1.00 59.07 ? 150 CYS b O 1 +ATOM 29507 C CB . CYS T 2 149 ? 56.006 0.096 -16.375 1.00 53.50 ? 150 CYS b CB 1 +ATOM 29508 S SG . CYS T 2 149 ? 55.518 1.827 -16.444 1.00 57.39 ? 150 CYS b SG 1 +ATOM 29509 N N . PHE T 2 150 ? 58.602 -0.187 -18.077 1.00 66.44 ? 151 PHE b N 1 +ATOM 29510 C CA . PHE T 2 150 ? 59.744 0.381 -18.785 1.00 68.59 ? 151 PHE b CA 1 +ATOM 29511 C C . PHE T 2 150 ? 59.802 -0.120 -20.228 1.00 61.29 ? 151 PHE b C 1 +ATOM 29512 O O . PHE T 2 150 ? 59.972 0.669 -21.165 1.00 69.32 ? 151 PHE b O 1 +ATOM 29513 C CB . PHE T 2 150 ? 61.040 0.053 -18.037 1.00 66.83 ? 151 PHE b CB 1 +ATOM 29514 C CG . PHE T 2 150 ? 62.273 0.361 -18.825 1.00 72.86 ? 151 PHE b CG 1 +ATOM 29515 C CD1 . PHE T 2 150 ? 62.750 1.652 -18.904 1.00 70.27 ? 151 PHE b CD1 1 +ATOM 29516 C CD2 . PHE T 2 150 ? 62.948 -0.643 -19.502 1.00 72.20 ? 151 PHE b CD2 1 +ATOM 29517 C CE1 . PHE T 2 150 ? 63.874 1.942 -19.644 1.00 74.96 ? 151 PHE b CE1 1 +ATOM 29518 C CE2 . PHE T 2 150 ? 64.072 -0.356 -20.239 1.00 74.87 ? 151 PHE b CE2 1 +ATOM 29519 C CZ . PHE T 2 150 ? 64.536 0.937 -20.310 1.00 67.90 ? 151 PHE b CZ 1 +ATOM 29520 N N . GLY T 2 151 ? 59.659 -1.433 -20.426 1.00 60.87 ? 152 GLY b N 1 +ATOM 29521 C CA . GLY T 2 151 ? 59.733 -1.973 -21.773 1.00 57.65 ? 152 GLY b CA 1 +ATOM 29522 C C . GLY T 2 151 ? 58.587 -1.522 -22.655 1.00 62.34 ? 152 GLY b C 1 +ATOM 29523 O O . GLY T 2 151 ? 58.766 -1.291 -23.855 1.00 60.00 ? 152 GLY b O 1 +ATOM 29524 N N . PHE T 2 152 ? 57.392 -1.397 -22.081 1.00 63.24 ? 153 PHE b N 1 +ATOM 29525 C CA . PHE T 2 152 ? 56.279 -0.868 -22.859 1.00 60.27 ? 153 PHE b CA 1 +ATOM 29526 C C . PHE T 2 152 ? 56.590 0.539 -23.361 1.00 58.00 ? 153 PHE b C 1 +ATOM 29527 O O . PHE T 2 152 ? 56.373 0.853 -24.536 1.00 65.46 ? 153 PHE b O 1 +ATOM 29528 C CB . PHE T 2 152 ? 54.999 -0.896 -22.016 1.00 60.63 ? 153 PHE b CB 1 +ATOM 29529 C CG . PHE T 2 152 ? 53.816 -0.231 -22.679 1.00 65.03 ? 153 PHE b CG 1 +ATOM 29530 C CD1 . PHE T 2 152 ? 53.317 -0.706 -23.891 1.00 51.58 ? 153 PHE b CD1 1 +ATOM 29531 C CD2 . PHE T 2 152 ? 53.191 0.852 -22.077 1.00 53.79 ? 153 PHE b CD2 1 +ATOM 29532 C CE1 . PHE T 2 152 ? 52.226 -0.097 -24.494 1.00 60.29 ? 153 PHE b CE1 1 +ATOM 29533 C CE2 . PHE T 2 152 ? 52.103 1.465 -22.672 1.00 58.77 ? 153 PHE b CE2 1 +ATOM 29534 C CZ . PHE T 2 152 ? 51.620 0.999 -23.882 1.00 62.44 ? 153 PHE b CZ 1 +ATOM 29535 N N . GLY T 2 153 ? 57.135 1.393 -22.491 1.00 62.74 ? 154 GLY b N 1 +ATOM 29536 C CA . GLY T 2 153 ? 57.474 2.747 -22.912 1.00 59.99 ? 154 GLY b CA 1 +ATOM 29537 C C . GLY T 2 153 ? 58.671 2.804 -23.847 1.00 61.79 ? 154 GLY b C 1 +ATOM 29538 O O . GLY T 2 153 ? 58.659 3.533 -24.844 1.00 63.67 ? 154 GLY b O 1 +ATOM 29539 N N . ALA T 2 154 ? 59.715 2.032 -23.549 1.00 64.00 ? 155 ALA b N 1 +ATOM 29540 C CA . ALA T 2 154 ? 60.963 2.181 -24.287 1.00 61.10 ? 155 ALA b CA 1 +ATOM 29541 C C . ALA T 2 154 ? 60.903 1.553 -25.678 1.00 72.77 ? 155 ALA b C 1 +ATOM 29542 O O . ALA T 2 154 ? 61.539 2.062 -26.609 1.00 66.86 ? 155 ALA b O 1 +ATOM 29543 C CB . ALA T 2 154 ? 62.110 1.572 -23.477 1.00 60.95 ? 155 ALA b CB 1 +ATOM 29544 N N . PHE T 2 155 ? 60.155 0.459 -25.845 1.00 65.55 ? 156 PHE b N 1 +ATOM 29545 C CA . PHE T 2 155 ? 60.140 -0.291 -27.095 1.00 68.01 ? 156 PHE b CA 1 +ATOM 29546 C C . PHE T 2 155 ? 58.832 -0.163 -27.862 1.00 63.26 ? 156 PHE b C 1 +ATOM 29547 O O . PHE T 2 155 ? 58.846 0.150 -29.058 1.00 62.82 ? 156 PHE b O 1 +ATOM 29548 C CB . PHE T 2 155 ? 60.447 -1.770 -26.811 1.00 62.16 ? 156 PHE b CB 1 +ATOM 29549 C CG . PHE T 2 155 ? 61.759 -1.977 -26.120 1.00 68.25 ? 156 PHE b CG 1 +ATOM 29550 C CD1 . PHE T 2 155 ? 62.951 -1.728 -26.785 1.00 68.38 ? 156 PHE b CD1 1 +ATOM 29551 C CD2 . PHE T 2 155 ? 61.807 -2.382 -24.803 1.00 65.39 ? 156 PHE b CD2 1 +ATOM 29552 C CE1 . PHE T 2 155 ? 64.162 -1.896 -26.152 1.00 74.19 ? 156 PHE b CE1 1 +ATOM 29553 C CE2 . PHE T 2 155 ? 63.022 -2.560 -24.161 1.00 80.07 ? 156 PHE b CE2 1 +ATOM 29554 C CZ . PHE T 2 155 ? 64.200 -2.316 -24.840 1.00 74.07 ? 156 PHE b CZ 1 +ATOM 29555 N N . HIS T 2 156 ? 57.689 -0.388 -27.211 1.00 62.69 ? 157 HIS b N 1 +ATOM 29556 C CA . HIS T 2 156 ? 56.427 -0.321 -27.942 1.00 61.48 ? 157 HIS b CA 1 +ATOM 29557 C C . HIS T 2 156 ? 56.112 1.110 -28.371 1.00 50.51 ? 157 HIS b C 1 +ATOM 29558 O O . HIS T 2 156 ? 55.889 1.375 -29.555 1.00 60.76 ? 157 HIS b O 1 +ATOM 29559 C CB . HIS T 2 156 ? 55.291 -0.918 -27.101 1.00 53.66 ? 157 HIS b CB 1 +ATOM 29560 C CG . HIS T 2 156 ? 53.988 -1.043 -27.840 1.00 58.48 ? 157 HIS b CG 1 +ATOM 29561 N ND1 . HIS T 2 156 ? 53.330 -2.248 -28.000 1.00 61.90 ? 157 HIS b ND1 1 +ATOM 29562 C CD2 . HIS T 2 156 ? 53.218 -0.111 -28.453 1.00 54.25 ? 157 HIS b CD2 1 +ATOM 29563 C CE1 . HIS T 2 156 ? 52.211 -2.045 -28.674 1.00 60.08 ? 157 HIS b CE1 1 +ATOM 29564 N NE2 . HIS T 2 156 ? 52.123 -0.759 -28.964 1.00 52.53 ? 157 HIS b NE2 1 +ATOM 29565 N N . LEU T 2 157 ? 56.099 2.055 -27.431 1.00 56.82 ? 158 LEU b N 1 +ATOM 29566 C CA . LEU T 2 157 ? 55.602 3.391 -27.773 1.00 59.67 ? 158 LEU b CA 1 +ATOM 29567 C C . LEU T 2 157 ? 56.597 4.190 -28.615 1.00 63.25 ? 158 LEU b C 1 +ATOM 29568 O O . LEU T 2 157 ? 56.181 4.987 -29.468 1.00 59.39 ? 158 LEU b O 1 +ATOM 29569 C CB . LEU T 2 157 ? 55.244 4.152 -26.499 1.00 53.83 ? 158 LEU b CB 1 +ATOM 29570 C CG . LEU T 2 157 ? 54.163 3.455 -25.678 1.00 65.57 ? 158 LEU b CG 1 +ATOM 29571 C CD1 . LEU T 2 157 ? 54.006 4.159 -24.320 1.00 57.84 ? 158 LEU b CD1 1 +ATOM 29572 C CD2 . LEU T 2 157 ? 52.842 3.452 -26.471 1.00 54.21 ? 158 LEU b CD2 1 +ATOM 29573 N N . THR T 2 158 ? 57.902 4.015 -28.389 1.00 54.28 ? 159 THR b N 1 +ATOM 29574 C CA . THR T 2 158 ? 58.891 4.720 -29.196 1.00 56.95 ? 159 THR b CA 1 +ATOM 29575 C C . THR T 2 158 ? 58.958 4.191 -30.621 1.00 67.63 ? 159 THR b C 1 +ATOM 29576 O O . THR T 2 158 ? 59.449 4.899 -31.507 1.00 70.92 ? 159 THR b O 1 +ATOM 29577 C CB . THR T 2 158 ? 60.274 4.615 -28.557 1.00 60.39 ? 159 THR b CB 1 +ATOM 29578 O OG1 . THR T 2 158 ? 60.668 3.237 -28.493 1.00 61.26 ? 159 THR b OG1 1 +ATOM 29579 C CG2 . THR T 2 158 ? 60.247 5.171 -27.145 1.00 60.21 ? 159 THR b CG2 1 +ATOM 29580 N N . GLY T 2 159 ? 58.468 2.976 -30.866 1.00 68.47 ? 160 GLY b N 1 +ATOM 29581 C CA . GLY T 2 159 ? 58.711 2.324 -32.128 1.00 58.36 ? 160 GLY b CA 1 +ATOM 29582 C C . GLY T 2 159 ? 60.090 1.729 -32.254 1.00 62.53 ? 160 GLY b C 1 +ATOM 29583 O O . GLY T 2 159 ? 60.457 1.290 -33.342 1.00 70.09 ? 160 GLY b O 1 +ATOM 29584 N N . LEU T 2 160 ? 60.881 1.716 -31.180 1.00 67.79 ? 161 LEU b N 1 +ATOM 29585 C CA . LEU T 2 160 ? 62.176 1.050 -31.252 1.00 65.74 ? 161 LEU b CA 1 +ATOM 29586 C C . LEU T 2 160 ? 62.000 -0.422 -31.546 1.00 68.75 ? 161 LEU b C 1 +ATOM 29587 O O . LEU T 2 160 ? 62.828 -1.028 -32.230 1.00 77.59 ? 161 LEU b O 1 +ATOM 29588 C CB . LEU T 2 160 ? 62.946 1.224 -29.945 1.00 62.55 ? 161 LEU b CB 1 +ATOM 29589 C CG . LEU T 2 160 ? 64.067 2.253 -29.935 1.00 83.49 ? 161 LEU b CG 1 +ATOM 29590 C CD1 . LEU T 2 160 ? 64.095 3.022 -31.246 1.00 99.44 ? 161 LEU b CD1 1 +ATOM 29591 C CD2 . LEU T 2 160 ? 63.897 3.211 -28.755 1.00 95.18 ? 161 LEU b CD2 1 +ATOM 29592 N N . PHE T 2 161 ? 60.929 -1.007 -31.030 1.00 69.87 ? 162 PHE b N 1 +ATOM 29593 C CA . PHE T 2 161 ? 60.598 -2.403 -31.254 1.00 66.73 ? 162 PHE b CA 1 +ATOM 29594 C C . PHE T 2 161 ? 59.119 -2.577 -30.945 1.00 58.94 ? 162 PHE b C 1 +ATOM 29595 O O . PHE T 2 161 ? 58.757 -3.056 -29.872 1.00 62.72 ? 162 PHE b O 1 +ATOM 29596 C CB . PHE T 2 161 ? 61.477 -3.311 -30.391 1.00 59.71 ? 162 PHE b CB 1 +ATOM 29597 C CG . PHE T 2 161 ? 61.293 -4.775 -30.674 1.00 65.10 ? 162 PHE b CG 1 +ATOM 29598 C CD1 . PHE T 2 161 ? 61.338 -5.248 -31.974 1.00 74.89 ? 162 PHE b CD1 1 +ATOM 29599 C CD2 . PHE T 2 161 ? 61.080 -5.674 -29.644 1.00 69.33 ? 162 PHE b CD2 1 +ATOM 29600 C CE1 . PHE T 2 161 ? 61.167 -6.571 -32.244 1.00 69.06 ? 162 PHE b CE1 1 +ATOM 29601 C CE2 . PHE T 2 161 ? 60.913 -7.010 -29.908 1.00 77.51 ? 162 PHE b CE2 1 +ATOM 29602 C CZ . PHE T 2 161 ? 60.956 -7.461 -31.216 1.00 69.42 ? 162 PHE b CZ 1 +ATOM 29603 N N . GLY T 2 162 ? 58.263 -2.147 -31.860 1.00 57.29 ? 163 GLY b N 1 +ATOM 29604 C CA . GLY T 2 162 ? 56.846 -2.060 -31.612 1.00 63.70 ? 163 GLY b CA 1 +ATOM 29605 C C . GLY T 2 162 ? 56.241 -1.008 -32.522 1.00 66.77 ? 163 GLY b C 1 +ATOM 29606 O O . GLY T 2 162 ? 56.956 -0.287 -33.218 1.00 62.35 ? 163 GLY b O 1 +ATOM 29607 N N . PRO T 2 163 ? 54.913 -0.884 -32.517 1.00 68.53 ? 164 PRO b N 1 +ATOM 29608 C CA . PRO T 2 163 ? 54.244 -0.081 -33.548 1.00 49.16 ? 164 PRO b CA 1 +ATOM 29609 C C . PRO T 2 163 ? 54.046 1.381 -33.193 1.00 58.91 ? 164 PRO b C 1 +ATOM 29610 O O . PRO T 2 163 ? 53.732 2.193 -34.069 1.00 59.04 ? 164 PRO b O 1 +ATOM 29611 C CB . PRO T 2 163 ? 52.891 -0.785 -33.685 1.00 64.62 ? 164 PRO b CB 1 +ATOM 29612 C CG . PRO T 2 163 ? 52.604 -1.215 -32.278 1.00 60.36 ? 164 PRO b CG 1 +ATOM 29613 C CD . PRO T 2 163 ? 53.946 -1.644 -31.699 1.00 56.13 ? 164 PRO b CD 1 +ATOM 29614 N N . GLY T 2 164 ? 54.181 1.735 -31.917 1.00 57.49 ? 165 GLY b N 1 +ATOM 29615 C CA . GLY T 2 164 ? 53.866 3.092 -31.516 1.00 53.64 ? 165 GLY b CA 1 +ATOM 29616 C C . GLY T 2 164 ? 52.478 3.232 -30.921 1.00 59.28 ? 165 GLY b C 1 +ATOM 29617 O O . GLY T 2 164 ? 52.024 2.344 -30.190 1.00 58.34 ? 165 GLY b O 1 +ATOM 29618 N N . MET T 2 165 ? 51.800 4.345 -31.199 1.00 55.25 ? 166 MET b N 1 +ATOM 29619 C CA . MET T 2 165 ? 50.464 4.545 -30.650 1.00 60.53 ? 166 MET b CA 1 +ATOM 29620 C C . MET T 2 165 ? 49.698 5.494 -31.558 1.00 59.37 ? 166 MET b C 1 +ATOM 29621 O O . MET T 2 165 ? 50.276 6.174 -32.411 1.00 63.82 ? 166 MET b O 1 +ATOM 29622 C CB . MET T 2 165 ? 50.505 5.078 -29.203 1.00 59.31 ? 166 MET b CB 1 +ATOM 29623 C CG . MET T 2 165 ? 51.043 6.504 -29.032 1.00 75.03 ? 166 MET b CG 1 +ATOM 29624 S SD . MET T 2 165 ? 51.066 7.072 -27.289 1.00 71.92 ? 166 MET b SD 1 +ATOM 29625 C CE . MET T 2 165 ? 49.491 7.921 -27.190 1.00 63.15 ? 166 MET b CE 1 +ATOM 29626 N N . TRP T 2 166 ? 48.385 5.529 -31.366 1.00 57.81 ? 167 TRP b N 1 +ATOM 29627 C CA . TRP T 2 166 ? 47.550 6.407 -32.174 1.00 53.99 ? 167 TRP b CA 1 +ATOM 29628 C C . TRP T 2 166 ? 47.847 7.860 -31.843 1.00 62.85 ? 167 TRP b C 1 +ATOM 29629 O O . TRP T 2 166 ? 47.868 8.246 -30.669 1.00 66.74 ? 167 TRP b O 1 +ATOM 29630 C CB . TRP T 2 166 ? 46.071 6.105 -31.935 1.00 52.20 ? 167 TRP b CB 1 +ATOM 29631 C CG . TRP T 2 166 ? 45.159 6.832 -32.863 1.00 55.11 ? 167 TRP b CG 1 +ATOM 29632 C CD1 . TRP T 2 166 ? 44.657 8.080 -32.699 1.00 56.86 ? 167 TRP b CD1 1 +ATOM 29633 C CD2 . TRP T 2 166 ? 44.629 6.342 -34.099 1.00 57.99 ? 167 TRP b CD2 1 +ATOM 29634 N NE1 . TRP T 2 166 ? 43.837 8.409 -33.754 1.00 59.99 ? 167 TRP b NE1 1 +ATOM 29635 C CE2 . TRP T 2 166 ? 43.815 7.363 -34.638 1.00 58.54 ? 167 TRP b CE2 1 +ATOM 29636 C CE3 . TRP T 2 166 ? 44.770 5.141 -34.811 1.00 53.26 ? 167 TRP b CE3 1 +ATOM 29637 C CZ2 . TRP T 2 166 ? 43.130 7.216 -35.855 1.00 53.63 ? 167 TRP b CZ2 1 +ATOM 29638 C CZ3 . TRP T 2 166 ? 44.097 4.997 -36.014 1.00 53.46 ? 167 TRP b CZ3 1 +ATOM 29639 C CH2 . TRP T 2 166 ? 43.280 6.020 -36.520 1.00 52.45 ? 167 TRP b CH2 1 +ATOM 29640 N N . VAL T 2 167 ? 48.080 8.664 -32.879 1.00 56.19 ? 168 VAL b N 1 +ATOM 29641 C CA . VAL T 2 167 ? 48.286 10.100 -32.742 1.00 59.53 ? 168 VAL b CA 1 +ATOM 29642 C C . VAL T 2 167 ? 47.501 10.787 -33.849 1.00 56.77 ? 168 VAL b C 1 +ATOM 29643 O O . VAL T 2 167 ? 47.259 10.211 -34.913 1.00 60.19 ? 168 VAL b O 1 +ATOM 29644 C CB . VAL T 2 167 ? 49.778 10.497 -32.815 1.00 60.96 ? 168 VAL b CB 1 +ATOM 29645 C CG1 . VAL T 2 167 ? 50.564 9.946 -31.628 1.00 54.78 ? 168 VAL b CG1 1 +ATOM 29646 C CG2 . VAL T 2 167 ? 50.376 10.011 -34.132 1.00 64.12 ? 168 VAL b CG2 1 +ATOM 29647 N N . SER T 2 168 ? 47.108 12.029 -33.602 1.00 62.20 ? 169 SER b N 1 +ATOM 29648 C CA . SER T 2 168 ? 46.340 12.772 -34.587 1.00 64.42 ? 169 SER b CA 1 +ATOM 29649 C C . SER T 2 168 ? 46.688 14.258 -34.513 1.00 69.01 ? 169 SER b C 1 +ATOM 29650 O O . SER T 2 168 ? 47.443 14.709 -33.649 1.00 61.95 ? 169 SER b O 1 +ATOM 29651 C CB . SER T 2 168 ? 44.836 12.562 -34.382 1.00 60.96 ? 169 SER b CB 1 +ATOM 29652 O OG . SER T 2 168 ? 44.116 12.943 -35.545 1.00 60.64 ? 169 SER b OG 1 +ATOM 29653 N N . ASP T 2 169 ? 46.135 15.007 -35.459 1.00 58.26 ? 170 ASP b N 1 +ATOM 29654 C CA . ASP T 2 169 ? 46.155 16.457 -35.440 1.00 66.25 ? 170 ASP b CA 1 +ATOM 29655 C C . ASP T 2 169 ? 45.124 16.950 -34.430 1.00 59.73 ? 170 ASP b C 1 +ATOM 29656 O O . ASP T 2 169 ? 44.279 16.190 -33.974 1.00 60.93 ? 170 ASP b O 1 +ATOM 29657 C CB . ASP T 2 169 ? 45.856 16.984 -36.839 1.00 53.27 ? 170 ASP b CB 1 +ATOM 29658 C CG . ASP T 2 169 ? 44.433 16.680 -37.277 1.00 57.34 ? 170 ASP b CG 1 +ATOM 29659 O OD1 . ASP T 2 169 ? 44.197 15.560 -37.749 1.00 62.63 ? 170 ASP b OD1 1 +ATOM 29660 O OD2 . ASP T 2 169 ? 43.549 17.547 -37.122 1.00 60.56 ? 170 ASP b OD2 1 +ATOM 29661 N N . PRO T 2 170 ? 45.149 18.236 -34.069 1.00 67.81 ? 171 PRO b N 1 +ATOM 29662 C CA . PRO T 2 170 ? 44.211 18.727 -33.042 1.00 60.97 ? 171 PRO b CA 1 +ATOM 29663 C C . PRO T 2 170 ? 42.740 18.601 -33.412 1.00 55.21 ? 171 PRO b C 1 +ATOM 29664 O O . PRO T 2 170 ? 41.888 18.796 -32.542 1.00 57.55 ? 171 PRO b O 1 +ATOM 29665 C CB . PRO T 2 170 ? 44.601 20.201 -32.894 1.00 59.48 ? 171 PRO b CB 1 +ATOM 29666 C CG . PRO T 2 170 ? 46.009 20.262 -33.353 1.00 66.38 ? 171 PRO b CG 1 +ATOM 29667 C CD . PRO T 2 170 ? 46.117 19.282 -34.461 1.00 51.56 ? 171 PRO b CD 1 +ATOM 29668 N N . TYR T 2 171 ? 42.403 18.309 -34.663 1.00 54.97 ? 172 TYR b N 1 +ATOM 29669 C CA . TYR T 2 171 ? 41.008 18.282 -35.076 1.00 57.16 ? 172 TYR b CA 1 +ATOM 29670 C C . TYR T 2 171 ? 40.533 16.893 -35.459 1.00 60.76 ? 172 TYR b C 1 +ATOM 29671 O O . TYR T 2 171 ? 39.420 16.756 -35.977 1.00 56.85 ? 172 TYR b O 1 +ATOM 29672 C CB . TYR T 2 171 ? 40.783 19.282 -36.210 1.00 58.56 ? 172 TYR b CB 1 +ATOM 29673 C CG . TYR T 2 171 ? 40.874 20.675 -35.652 1.00 62.98 ? 172 TYR b CG 1 +ATOM 29674 C CD1 . TYR T 2 171 ? 39.830 21.186 -34.884 1.00 63.42 ? 172 TYR b CD1 1 +ATOM 29675 C CD2 . TYR T 2 171 ? 42.025 21.449 -35.811 1.00 58.46 ? 172 TYR b CD2 1 +ATOM 29676 C CE1 . TYR T 2 171 ? 39.902 22.438 -34.315 1.00 66.91 ? 172 TYR b CE1 1 +ATOM 29677 C CE2 . TYR T 2 171 ? 42.107 22.730 -35.236 1.00 57.70 ? 172 TYR b CE2 1 +ATOM 29678 C CZ . TYR T 2 171 ? 41.032 23.209 -34.494 1.00 67.81 ? 172 TYR b CZ 1 +ATOM 29679 O OH . TYR T 2 171 ? 41.057 24.454 -33.914 1.00 69.42 ? 172 TYR b OH 1 +ATOM 29680 N N . GLY T 2 172 ? 41.333 15.863 -35.179 1.00 57.00 ? 173 GLY b N 1 +ATOM 29681 C CA . GLY T 2 172 ? 40.921 14.484 -35.394 1.00 56.33 ? 173 GLY b CA 1 +ATOM 29682 C C . GLY T 2 172 ? 40.645 14.169 -36.844 1.00 55.08 ? 173 GLY b C 1 +ATOM 29683 O O . GLY T 2 172 ? 39.687 13.455 -37.159 1.00 54.17 ? 173 GLY b O 1 +ATOM 29684 N N . LEU T 2 173 ? 41.471 14.693 -37.743 1.00 61.21 ? 174 LEU b N 1 +ATOM 29685 C CA . LEU T 2 173 ? 41.268 14.477 -39.162 1.00 52.52 ? 174 LEU b CA 1 +ATOM 29686 C C . LEU T 2 173 ? 42.202 13.442 -39.755 1.00 62.22 ? 174 LEU b C 1 +ATOM 29687 O O . LEU T 2 173 ? 41.810 12.754 -40.702 1.00 61.10 ? 174 LEU b O 1 +ATOM 29688 C CB . LEU T 2 173 ? 41.436 15.795 -39.914 1.00 61.47 ? 174 LEU b CB 1 +ATOM 29689 C CG . LEU T 2 173 ? 40.424 16.871 -39.546 1.00 61.77 ? 174 LEU b CG 1 +ATOM 29690 C CD1 . LEU T 2 173 ? 40.692 18.080 -40.422 1.00 69.87 ? 174 LEU b CD1 1 +ATOM 29691 C CD2 . LEU T 2 173 ? 39.013 16.357 -39.784 1.00 62.42 ? 174 LEU b CD2 1 +ATOM 29692 N N . THR T 2 174 ? 43.407 13.286 -39.220 1.00 57.52 ? 175 THR b N 1 +ATOM 29693 C CA . THR T 2 174 ? 44.470 12.540 -39.892 1.00 54.58 ? 175 THR b CA 1 +ATOM 29694 C C . THR T 2 174 ? 45.127 11.545 -38.955 1.00 58.55 ? 175 THR b C 1 +ATOM 29695 O O . THR T 2 174 ? 46.339 11.307 -39.024 1.00 66.72 ? 175 THR b O 1 +ATOM 29696 C CB . THR T 2 174 ? 45.526 13.494 -40.447 1.00 67.18 ? 175 THR b CB 1 +ATOM 29697 O OG1 . THR T 2 174 ? 46.169 14.164 -39.351 1.00 68.79 ? 175 THR b OG1 1 +ATOM 29698 C CG2 . THR T 2 174 ? 44.887 14.537 -41.322 1.00 64.45 ? 175 THR b CG2 1 +ATOM 29699 N N . GLY T 2 175 ? 44.351 10.940 -38.066 1.00 55.07 ? 176 GLY b N 1 +ATOM 29700 C CA . GLY T 2 175 ? 44.940 10.044 -37.095 1.00 48.50 ? 176 GLY b CA 1 +ATOM 29701 C C . GLY T 2 175 ? 45.574 8.830 -37.747 1.00 59.06 ? 176 GLY b C 1 +ATOM 29702 O O . GLY T 2 175 ? 45.154 8.372 -38.807 1.00 54.48 ? 176 GLY b O 1 +ATOM 29703 N N . SER T 2 176 ? 46.597 8.300 -37.084 1.00 53.20 ? 177 SER b N 1 +ATOM 29704 C CA . SER T 2 176 ? 47.258 7.073 -37.505 1.00 55.79 ? 177 SER b CA 1 +ATOM 29705 C C . SER T 2 176 ? 48.158 6.627 -36.364 1.00 61.44 ? 177 SER b C 1 +ATOM 29706 O O . SER T 2 176 ? 48.342 7.343 -35.377 1.00 62.21 ? 177 SER b O 1 +ATOM 29707 C CB . SER T 2 176 ? 48.069 7.269 -38.792 1.00 56.91 ? 177 SER b CB 1 +ATOM 29708 O OG . SER T 2 176 ? 49.195 8.101 -38.559 1.00 65.10 ? 177 SER b OG 1 +ATOM 29709 N N . VAL T 2 177 ? 48.725 5.447 -36.515 1.00 56.60 ? 178 VAL b N 1 +ATOM 29710 C CA . VAL T 2 177 ? 49.669 4.913 -35.542 1.00 64.74 ? 178 VAL b CA 1 +ATOM 29711 C C . VAL T 2 177 ? 51.073 5.323 -35.957 1.00 63.58 ? 178 VAL b C 1 +ATOM 29712 O O . VAL T 2 177 ? 51.487 5.101 -37.102 1.00 63.36 ? 178 VAL b O 1 +ATOM 29713 C CB . VAL T 2 177 ? 49.544 3.387 -35.433 1.00 60.27 ? 178 VAL b CB 1 +ATOM 29714 C CG1 . VAL T 2 177 ? 50.540 2.841 -34.393 1.00 57.85 ? 178 VAL b CG1 1 +ATOM 29715 C CG2 . VAL T 2 177 ? 48.122 3.038 -35.058 1.00 62.86 ? 178 VAL b CG2 1 +ATOM 29716 N N . GLN T 2 178 ? 51.800 5.931 -35.030 1.00 57.32 ? 179 GLN b N 1 +ATOM 29717 C CA . GLN T 2 178 ? 53.107 6.499 -35.283 1.00 61.57 ? 179 GLN b CA 1 +ATOM 29718 C C . GLN T 2 178 ? 53.967 6.240 -34.057 1.00 59.85 ? 179 GLN b C 1 +ATOM 29719 O O . GLN T 2 178 ? 53.457 6.264 -32.928 1.00 60.89 ? 179 GLN b O 1 +ATOM 29720 C CB . GLN T 2 178 ? 53.028 8.011 -35.555 1.00 56.86 ? 179 GLN b CB 1 +ATOM 29721 C CG . GLN T 2 178 ? 52.251 8.419 -36.808 1.00 61.14 ? 179 GLN b CG 1 +ATOM 29722 C CD . GLN T 2 178 ? 52.922 7.954 -38.093 1.00 85.53 ? 179 GLN b CD 1 +ATOM 29723 O OE1 . GLN T 2 178 ? 54.135 8.087 -38.259 1.00 100.26 ? 179 GLN b OE1 1 +ATOM 29724 N NE2 . GLN T 2 178 ? 52.132 7.395 -39.007 1.00 84.84 ? 179 GLN b NE2 1 +ATOM 29725 N N . PRO T 2 179 ? 55.252 5.965 -34.237 1.00 71.50 ? 180 PRO b N 1 +ATOM 29726 C CA . PRO T 2 179 ? 56.148 5.938 -33.078 1.00 54.04 ? 180 PRO b CA 1 +ATOM 29727 C C . PRO T 2 179 ? 56.194 7.321 -32.458 1.00 63.01 ? 180 PRO b C 1 +ATOM 29728 O O . PRO T 2 179 ? 55.991 8.326 -33.135 1.00 70.04 ? 180 PRO b O 1 +ATOM 29729 C CB . PRO T 2 179 ? 57.499 5.530 -33.671 1.00 65.37 ? 180 PRO b CB 1 +ATOM 29730 C CG . PRO T 2 179 ? 57.391 5.805 -35.135 1.00 67.35 ? 180 PRO b CG 1 +ATOM 29731 C CD . PRO T 2 179 ? 55.946 5.718 -35.511 1.00 55.17 ? 180 PRO b CD 1 +ATOM 29732 N N . VAL T 2 180 ? 56.414 7.373 -31.149 1.00 61.73 ? 181 VAL b N 1 +ATOM 29733 C CA . VAL T 2 180 ? 56.398 8.637 -30.426 1.00 66.84 ? 181 VAL b CA 1 +ATOM 29734 C C . VAL T 2 180 ? 57.653 8.708 -29.572 1.00 60.62 ? 181 VAL b C 1 +ATOM 29735 O O . VAL T 2 180 ? 57.999 7.734 -28.898 1.00 71.04 ? 181 VAL b O 1 +ATOM 29736 C CB . VAL T 2 180 ? 55.127 8.780 -29.566 1.00 60.95 ? 181 VAL b CB 1 +ATOM 29737 C CG1 . VAL T 2 180 ? 55.174 10.037 -28.745 1.00 58.26 ? 181 VAL b CG1 1 +ATOM 29738 C CG2 . VAL T 2 180 ? 53.887 8.765 -30.463 1.00 58.43 ? 181 VAL b CG2 1 +ATOM 29739 N N . ALA T 2 181 ? 58.348 9.856 -29.625 1.00 68.80 ? 182 ALA b N 1 +ATOM 29740 C CA . ALA T 2 181 ? 59.540 10.133 -28.832 1.00 63.27 ? 182 ALA b CA 1 +ATOM 29741 C C . ALA T 2 181 ? 59.138 10.642 -27.454 1.00 53.49 ? 182 ALA b C 1 +ATOM 29742 O O . ALA T 2 181 ? 58.161 11.385 -27.331 1.00 68.50 ? 182 ALA b O 1 +ATOM 29743 C CB . ALA T 2 181 ? 60.419 11.180 -29.519 1.00 59.45 ? 182 ALA b CB 1 +ATOM 29744 N N . PRO T 2 182 ? 59.872 10.283 -26.407 1.00 64.98 ? 183 PRO b N 1 +ATOM 29745 C CA . PRO T 2 182 ? 59.554 10.818 -25.077 1.00 68.53 ? 183 PRO b CA 1 +ATOM 29746 C C . PRO T 2 182 ? 59.773 12.321 -25.025 1.00 73.85 ? 183 PRO b C 1 +ATOM 29747 O O . PRO T 2 182 ? 60.689 12.854 -25.655 1.00 78.48 ? 183 PRO b O 1 +ATOM 29748 C CB . PRO T 2 182 ? 60.524 10.078 -24.143 1.00 64.84 ? 183 PRO b CB 1 +ATOM 29749 C CG . PRO T 2 182 ? 61.614 9.584 -25.012 1.00 62.10 ? 183 PRO b CG 1 +ATOM 29750 C CD . PRO T 2 182 ? 61.021 9.360 -26.379 1.00 62.87 ? 183 PRO b CD 1 +ATOM 29751 N N . GLU T 2 183 ? 58.893 13.005 -24.293 1.00 68.86 ? 184 GLU b N 1 +ATOM 29752 C CA . GLU T 2 183 ? 59.017 14.429 -24.017 1.00 59.93 ? 184 GLU b CA 1 +ATOM 29753 C C . GLU T 2 183 ? 59.497 14.567 -22.574 1.00 71.91 ? 184 GLU b C 1 +ATOM 29754 O O . GLU T 2 183 ? 58.789 14.188 -21.635 1.00 62.15 ? 184 GLU b O 1 +ATOM 29755 C CB . GLU T 2 183 ? 57.692 15.145 -24.241 1.00 57.41 ? 184 GLU b CB 1 +ATOM 29756 C CG . GLU T 2 183 ? 57.663 16.563 -23.688 1.00 70.79 ? 184 GLU b CG 1 +ATOM 29757 C CD . GLU T 2 183 ? 58.802 17.427 -24.212 1.00 79.48 ? 184 GLU b CD 1 +ATOM 29758 O OE1 . GLU T 2 183 ? 58.944 17.555 -25.442 1.00 72.35 ? 184 GLU b OE1 1 +ATOM 29759 O OE2 . GLU T 2 183 ? 59.560 17.981 -23.389 1.00 84.42 ? 184 GLU b OE2 1 +ATOM 29760 N N . TRP T 2 184 ? 60.715 15.077 -22.402 1.00 74.21 ? 185 TRP b N 1 +ATOM 29761 C CA . TRP T 2 184 ? 61.353 15.118 -21.096 1.00 67.85 ? 185 TRP b CA 1 +ATOM 29762 C C . TRP T 2 184 ? 61.235 16.472 -20.409 1.00 80.38 ? 185 TRP b C 1 +ATOM 29763 O O . TRP T 2 184 ? 61.554 16.571 -19.215 1.00 68.63 ? 185 TRP b O 1 +ATOM 29764 C CB . TRP T 2 184 ? 62.826 14.733 -21.223 1.00 69.73 ? 185 TRP b CB 1 +ATOM 29765 C CG . TRP T 2 184 ? 63.023 13.306 -21.564 1.00 74.96 ? 185 TRP b CG 1 +ATOM 29766 C CD1 . TRP T 2 184 ? 63.595 12.800 -22.697 1.00 64.96 ? 185 TRP b CD1 1 +ATOM 29767 C CD2 . TRP T 2 184 ? 62.631 12.182 -20.771 1.00 65.11 ? 185 TRP b CD2 1 +ATOM 29768 N NE1 . TRP T 2 184 ? 63.601 11.431 -22.648 1.00 58.68 ? 185 TRP b NE1 1 +ATOM 29769 C CE2 . TRP T 2 184 ? 63.009 11.024 -21.479 1.00 65.40 ? 185 TRP b CE2 1 +ATOM 29770 C CE3 . TRP T 2 184 ? 62.005 12.041 -19.526 1.00 71.20 ? 185 TRP b CE3 1 +ATOM 29771 C CZ2 . TRP T 2 184 ? 62.778 9.738 -20.985 1.00 65.95 ? 185 TRP b CZ2 1 +ATOM 29772 C CZ3 . TRP T 2 184 ? 61.781 10.768 -19.035 1.00 63.36 ? 185 TRP b CZ3 1 +ATOM 29773 C CH2 . TRP T 2 184 ? 62.166 9.632 -19.765 1.00 67.03 ? 185 TRP b CH2 1 +ATOM 29774 N N . GLY T 2 185 ? 60.779 17.498 -21.126 1.00 56.63 ? 186 GLY b N 1 +ATOM 29775 C CA . GLY T 2 185 ? 60.517 18.788 -20.542 1.00 74.87 ? 186 GLY b CA 1 +ATOM 29776 C C . GLY T 2 185 ? 59.206 18.826 -19.779 1.00 74.80 ? 186 GLY b C 1 +ATOM 29777 O O . GLY T 2 185 ? 58.543 17.804 -19.573 1.00 68.37 ? 186 GLY b O 1 +ATOM 29778 N N . PRO T 2 186 ? 58.810 20.027 -19.344 1.00 85.08 ? 187 PRO b N 1 +ATOM 29779 C CA . PRO T 2 186 ? 57.563 20.156 -18.576 1.00 80.34 ? 187 PRO b CA 1 +ATOM 29780 C C . PRO T 2 186 ? 56.304 19.955 -19.402 1.00 70.95 ? 187 PRO b C 1 +ATOM 29781 O O . PRO T 2 186 ? 55.235 19.742 -18.823 1.00 68.12 ? 187 PRO b O 1 +ATOM 29782 C CB . PRO T 2 186 ? 57.642 21.589 -18.021 1.00 76.84 ? 187 PRO b CB 1 +ATOM 29783 C CG . PRO T 2 186 ? 58.500 22.312 -18.984 1.00 65.25 ? 187 PRO b CG 1 +ATOM 29784 C CD . PRO T 2 186 ? 59.536 21.309 -19.427 1.00 75.40 ? 187 PRO b CD 1 +ATOM 29785 N N . ASP T 2 187 ? 56.378 20.028 -20.728 1.00 70.87 ? 188 ASP b N 1 +ATOM 29786 C CA . ASP T 2 187 ? 55.172 19.704 -21.480 1.00 72.59 ? 188 ASP b CA 1 +ATOM 29787 C C . ASP T 2 187 ? 54.899 18.200 -21.516 1.00 69.33 ? 188 ASP b C 1 +ATOM 29788 O O . ASP T 2 187 ? 53.863 17.789 -22.043 1.00 65.42 ? 188 ASP b O 1 +ATOM 29789 C CB . ASP T 2 187 ? 55.263 20.273 -22.898 1.00 60.84 ? 188 ASP b CB 1 +ATOM 29790 C CG . ASP T 2 187 ? 53.895 20.507 -23.520 1.00 73.10 ? 188 ASP b CG 1 +ATOM 29791 O OD1 . ASP T 2 187 ? 52.996 21.026 -22.812 1.00 63.99 ? 188 ASP b OD1 1 +ATOM 29792 O OD2 . ASP T 2 187 ? 53.728 20.200 -24.723 1.00 65.23 ? 188 ASP b OD2 1 +ATOM 29793 N N . GLY T 2 188 ? 55.794 17.380 -20.960 1.00 64.70 ? 189 GLY b N 1 +ATOM 29794 C CA . GLY T 2 188 ? 55.502 15.974 -20.767 1.00 68.55 ? 189 GLY b CA 1 +ATOM 29795 C C . GLY T 2 188 ? 54.352 15.715 -19.817 1.00 66.52 ? 189 GLY b C 1 +ATOM 29796 O O . GLY T 2 188 ? 53.805 14.611 -19.807 1.00 71.12 ? 189 GLY b O 1 +ATOM 29797 N N . PHE T 2 189 ? 53.964 16.710 -19.028 1.00 66.02 ? 190 PHE b N 1 +ATOM 29798 C CA . PHE T 2 189 ? 52.870 16.597 -18.075 1.00 62.40 ? 190 PHE b CA 1 +ATOM 29799 C C . PHE T 2 189 ? 51.582 17.212 -18.598 1.00 62.53 ? 190 PHE b C 1 +ATOM 29800 O O . PHE T 2 189 ? 50.567 17.208 -17.887 1.00 63.29 ? 190 PHE b O 1 +ATOM 29801 C CB . PHE T 2 189 ? 53.290 17.238 -16.743 1.00 59.84 ? 190 PHE b CB 1 +ATOM 29802 C CG . PHE T 2 189 ? 54.530 16.616 -16.171 1.00 64.88 ? 190 PHE b CG 1 +ATOM 29803 C CD1 . PHE T 2 189 ? 54.459 15.416 -15.491 1.00 54.93 ? 190 PHE b CD1 1 +ATOM 29804 C CD2 . PHE T 2 189 ? 55.771 17.188 -16.379 1.00 68.41 ? 190 PHE b CD2 1 +ATOM 29805 C CE1 . PHE T 2 189 ? 55.598 14.815 -14.994 1.00 69.75 ? 190 PHE b CE1 1 +ATOM 29806 C CE2 . PHE T 2 189 ? 56.912 16.587 -15.886 1.00 70.86 ? 190 PHE b CE2 1 +ATOM 29807 C CZ . PHE T 2 189 ? 56.823 15.399 -15.193 1.00 58.36 ? 190 PHE b CZ 1 +ATOM 29808 N N . ASN T 2 190 ? 51.617 17.757 -19.807 1.00 56.32 ? 191 ASN b N 1 +ATOM 29809 C CA . ASN T 2 190 ? 50.427 18.166 -20.537 1.00 58.29 ? 191 ASN b CA 1 +ATOM 29810 C C . ASN T 2 190 ? 49.632 16.918 -20.909 1.00 67.36 ? 191 ASN b C 1 +ATOM 29811 O O . ASN T 2 190 ? 50.176 16.034 -21.589 1.00 60.60 ? 191 ASN b O 1 +ATOM 29812 C CB . ASN T 2 190 ? 50.867 18.926 -21.782 1.00 55.97 ? 191 ASN b CB 1 +ATOM 29813 C CG . ASN T 2 190 ? 49.707 19.472 -22.597 1.00 63.75 ? 191 ASN b CG 1 +ATOM 29814 O OD1 . ASN T 2 190 ? 48.546 19.126 -22.382 1.00 68.20 ? 191 ASN b OD1 1 +ATOM 29815 N ND2 . ASN T 2 190 ? 50.026 20.340 -23.550 1.00 63.87 ? 191 ASN b ND2 1 +ATOM 29816 N N . PRO T 2 191 ? 48.369 16.786 -20.494 1.00 59.64 ? 192 PRO b N 1 +ATOM 29817 C CA . PRO T 2 191 ? 47.623 15.553 -20.822 1.00 59.23 ? 192 PRO b CA 1 +ATOM 29818 C C . PRO T 2 191 ? 47.442 15.336 -22.322 1.00 65.57 ? 192 PRO b C 1 +ATOM 29819 O O . PRO T 2 191 ? 47.172 14.203 -22.747 1.00 56.77 ? 192 PRO b O 1 +ATOM 29820 C CB . PRO T 2 191 ? 46.276 15.740 -20.107 1.00 51.01 ? 192 PRO b CB 1 +ATOM 29821 C CG . PRO T 2 191 ? 46.175 17.197 -19.794 1.00 59.13 ? 192 PRO b CG 1 +ATOM 29822 C CD . PRO T 2 191 ? 47.582 17.728 -19.682 1.00 56.56 ? 192 PRO b CD 1 +ATOM 29823 N N . TYR T 2 192 ? 47.618 16.370 -23.140 1.00 52.35 ? 193 TYR b N 1 +ATOM 29824 C CA . TYR T 2 192 ? 47.471 16.247 -24.578 1.00 54.58 ? 193 TYR b CA 1 +ATOM 29825 C C . TYR T 2 192 ? 48.805 16.071 -25.287 1.00 67.95 ? 193 TYR b C 1 +ATOM 29826 O O . TYR T 2 192 ? 48.844 16.064 -26.521 1.00 61.55 ? 193 TYR b O 1 +ATOM 29827 C CB . TYR T 2 192 ? 46.718 17.454 -25.133 1.00 56.18 ? 193 TYR b CB 1 +ATOM 29828 C CG . TYR T 2 192 ? 45.338 17.577 -24.540 1.00 59.92 ? 193 TYR b CG 1 +ATOM 29829 C CD1 . TYR T 2 192 ? 44.275 16.842 -25.053 1.00 59.73 ? 193 TYR b CD1 1 +ATOM 29830 C CD2 . TYR T 2 192 ? 45.099 18.406 -23.451 1.00 61.22 ? 193 TYR b CD2 1 +ATOM 29831 C CE1 . TYR T 2 192 ? 43.006 16.941 -24.515 1.00 51.08 ? 193 TYR b CE1 1 +ATOM 29832 C CE2 . TYR T 2 192 ? 43.833 18.505 -22.889 1.00 60.76 ? 193 TYR b CE2 1 +ATOM 29833 C CZ . TYR T 2 192 ? 42.787 17.767 -23.425 1.00 68.90 ? 193 TYR b CZ 1 +ATOM 29834 O OH . TYR T 2 192 ? 41.526 17.853 -22.874 1.00 57.64 ? 193 TYR b OH 1 +ATOM 29835 N N . ASN T 2 193 ? 49.898 15.918 -24.548 1.00 58.94 ? 194 ASN b N 1 +ATOM 29836 C CA . ASN T 2 193 ? 51.170 15.705 -25.216 1.00 70.77 ? 194 ASN b CA 1 +ATOM 29837 C C . ASN T 2 193 ? 51.448 14.219 -25.204 1.00 59.75 ? 194 ASN b C 1 +ATOM 29838 O O . ASN T 2 193 ? 51.743 13.667 -24.132 1.00 63.73 ? 194 ASN b O 1 +ATOM 29839 C CB . ASN T 2 193 ? 52.312 16.465 -24.543 1.00 64.71 ? 194 ASN b CB 1 +ATOM 29840 C CG . ASN T 2 193 ? 53.587 16.446 -25.381 1.00 66.24 ? 194 ASN b CG 1 +ATOM 29841 O OD1 . ASN T 2 193 ? 53.906 15.450 -26.019 1.00 73.58 ? 194 ASN b OD1 1 +ATOM 29842 N ND2 . ASN T 2 193 ? 54.300 17.555 -25.403 1.00 79.22 ? 194 ASN b ND2 1 +ATOM 29843 N N . PRO T 2 194 ? 51.368 13.534 -26.350 1.00 59.32 ? 195 PRO b N 1 +ATOM 29844 C CA . PRO T 2 194 ? 51.613 12.086 -26.353 1.00 58.81 ? 195 PRO b CA 1 +ATOM 29845 C C . PRO T 2 194 ? 53.032 11.723 -25.974 1.00 60.26 ? 195 PRO b C 1 +ATOM 29846 O O . PRO T 2 194 ? 53.260 10.618 -25.459 1.00 58.43 ? 195 PRO b O 1 +ATOM 29847 C CB . PRO T 2 194 ? 51.281 11.674 -27.797 1.00 58.54 ? 195 PRO b CB 1 +ATOM 29848 C CG . PRO T 2 194 ? 51.303 12.922 -28.586 1.00 56.94 ? 195 PRO b CG 1 +ATOM 29849 C CD . PRO T 2 194 ? 50.936 14.034 -27.666 1.00 57.13 ? 195 PRO b CD 1 +ATOM 29850 N N . GLY T 2 195 ? 53.991 12.631 -26.202 1.00 60.64 ? 196 GLY b N 1 +ATOM 29851 C CA . GLY T 2 195 ? 55.354 12.391 -25.762 1.00 63.87 ? 196 GLY b CA 1 +ATOM 29852 C C . GLY T 2 195 ? 55.463 12.172 -24.268 1.00 57.35 ? 196 GLY b C 1 +ATOM 29853 O O . GLY T 2 195 ? 56.326 11.417 -23.806 1.00 60.52 ? 196 GLY b O 1 +ATOM 29854 N N . GLY T 2 196 ? 54.583 12.813 -23.490 1.00 61.65 ? 197 GLY b N 1 +ATOM 29855 C CA . GLY T 2 196 ? 54.578 12.580 -22.058 1.00 62.52 ? 197 GLY b CA 1 +ATOM 29856 C C . GLY T 2 196 ? 54.179 11.171 -21.682 1.00 60.60 ? 197 GLY b C 1 +ATOM 29857 O O . GLY T 2 196 ? 54.680 10.621 -20.694 1.00 67.24 ? 197 GLY b O 1 +ATOM 29858 N N . VAL T 2 197 ? 53.274 10.565 -22.454 1.00 63.27 ? 198 VAL b N 1 +ATOM 29859 C CA . VAL T 2 197 ? 52.892 9.179 -22.197 1.00 53.69 ? 198 VAL b CA 1 +ATOM 29860 C C . VAL T 2 197 ? 54.109 8.278 -22.307 1.00 59.47 ? 198 VAL b C 1 +ATOM 29861 O O . VAL T 2 197 ? 54.322 7.384 -21.483 1.00 59.62 ? 198 VAL b O 1 +ATOM 29862 C CB . VAL T 2 197 ? 51.786 8.742 -23.175 1.00 63.90 ? 198 VAL b CB 1 +ATOM 29863 C CG1 . VAL T 2 197 ? 51.462 7.235 -22.974 1.00 60.26 ? 198 VAL b CG1 1 +ATOM 29864 C CG2 . VAL T 2 197 ? 50.549 9.618 -23.017 1.00 54.91 ? 198 VAL b CG2 1 +ATOM 29865 N N . VAL T 2 198 ? 54.930 8.502 -23.330 1.00 62.53 ? 199 VAL b N 1 +ATOM 29866 C CA . VAL T 2 198 ? 56.139 7.706 -23.502 1.00 55.81 ? 199 VAL b CA 1 +ATOM 29867 C C . VAL T 2 198 ? 57.102 7.947 -22.344 1.00 67.43 ? 199 VAL b C 1 +ATOM 29868 O O . VAL T 2 198 ? 57.593 7.000 -21.713 1.00 62.25 ? 199 VAL b O 1 +ATOM 29869 C CB . VAL T 2 198 ? 56.786 8.039 -24.858 1.00 57.86 ? 199 VAL b CB 1 +ATOM 29870 C CG1 . VAL T 2 198 ? 58.016 7.185 -25.083 1.00 62.76 ? 199 VAL b CG1 1 +ATOM 29871 C CG2 . VAL T 2 198 ? 55.760 7.872 -25.970 1.00 53.79 ? 199 VAL b CG2 1 +ATOM 29872 N N . ALA T 2 199 ? 57.366 9.225 -22.034 1.00 65.90 ? 200 ALA b N 1 +ATOM 29873 C CA . ALA T 2 199 ? 58.300 9.550 -20.960 1.00 58.76 ? 200 ALA b CA 1 +ATOM 29874 C C . ALA T 2 199 ? 57.802 9.035 -19.625 1.00 53.85 ? 200 ALA b C 1 +ATOM 29875 O O . ALA T 2 199 ? 58.597 8.540 -18.814 1.00 59.06 ? 200 ALA b O 1 +ATOM 29876 C CB . ALA T 2 199 ? 58.535 11.058 -20.892 1.00 63.26 ? 200 ALA b CB 1 +ATOM 29877 N N . HIS T 2 200 ? 56.486 9.126 -19.380 1.00 59.26 ? 201 HIS b N 1 +ATOM 29878 C CA . HIS T 2 200 ? 55.937 8.594 -18.133 1.00 53.30 ? 201 HIS b CA 1 +ATOM 29879 C C . HIS T 2 200 ? 56.340 7.140 -17.923 1.00 58.54 ? 201 HIS b C 1 +ATOM 29880 O O . HIS T 2 200 ? 56.792 6.759 -16.836 1.00 60.68 ? 201 HIS b O 1 +ATOM 29881 C CB . HIS T 2 200 ? 54.412 8.696 -18.091 1.00 52.36 ? 201 HIS b CB 1 +ATOM 29882 C CG . HIS T 2 200 ? 53.802 7.801 -17.047 1.00 53.57 ? 201 HIS b CG 1 +ATOM 29883 N ND1 . HIS T 2 200 ? 53.646 8.188 -15.731 1.00 60.08 ? 201 HIS b ND1 1 +ATOM 29884 C CD2 . HIS T 2 200 ? 53.383 6.512 -17.110 1.00 56.74 ? 201 HIS b CD2 1 +ATOM 29885 C CE1 . HIS T 2 200 ? 53.134 7.186 -15.037 1.00 65.11 ? 201 HIS b CE1 1 +ATOM 29886 N NE2 . HIS T 2 200 ? 52.974 6.155 -15.848 1.00 54.07 ? 201 HIS b NE2 1 +ATOM 29887 N N . HIS T 2 201 ? 56.162 6.304 -18.953 1.00 56.75 ? 202 HIS b N 1 +ATOM 29888 C CA . HIS T 2 201 ? 56.345 4.866 -18.772 1.00 61.40 ? 202 HIS b CA 1 +ATOM 29889 C C . HIS T 2 201 ? 57.812 4.493 -18.651 1.00 52.85 ? 202 HIS b C 1 +ATOM 29890 O O . HIS T 2 201 ? 58.144 3.543 -17.934 1.00 63.90 ? 202 HIS b O 1 +ATOM 29891 C CB . HIS T 2 201 ? 55.677 4.088 -19.921 1.00 49.09 ? 202 HIS b CB 1 +ATOM 29892 C CG . HIS T 2 201 ? 54.192 4.018 -19.787 1.00 56.73 ? 202 HIS b CG 1 +ATOM 29893 N ND1 . HIS T 2 201 ? 53.342 4.899 -20.423 1.00 52.12 ? 202 HIS b ND1 1 +ATOM 29894 C CD2 . HIS T 2 201 ? 53.405 3.215 -19.034 1.00 48.81 ? 202 HIS b CD2 1 +ATOM 29895 C CE1 . HIS T 2 201 ? 52.094 4.633 -20.075 1.00 54.72 ? 202 HIS b CE1 1 +ATOM 29896 N NE2 . HIS T 2 201 ? 52.105 3.611 -19.236 1.00 56.60 ? 202 HIS b NE2 1 +ATOM 29897 N N . ILE T 2 202 ? 58.690 5.207 -19.356 1.00 56.88 ? 203 ILE b N 1 +ATOM 29898 C CA . ILE T 2 202 ? 60.131 5.013 -19.196 1.00 69.67 ? 203 ILE b CA 1 +ATOM 29899 C C . ILE T 2 202 ? 60.555 5.363 -17.771 1.00 64.39 ? 203 ILE b C 1 +ATOM 29900 O O . ILE T 2 202 ? 61.198 4.563 -17.073 1.00 60.14 ? 203 ILE b O 1 +ATOM 29901 C CB . ILE T 2 202 ? 60.894 5.852 -20.245 1.00 69.82 ? 203 ILE b CB 1 +ATOM 29902 C CG1 . ILE T 2 202 ? 60.700 5.261 -21.646 1.00 61.09 ? 203 ILE b CG1 1 +ATOM 29903 C CG2 . ILE T 2 202 ? 62.383 5.953 -19.894 1.00 69.14 ? 203 ILE b CG2 1 +ATOM 29904 C CD1 . ILE T 2 202 ? 61.032 6.213 -22.793 1.00 54.25 ? 203 ILE b CD1 1 +ATOM 29905 N N . ALA T 2 203 ? 60.151 6.548 -17.304 1.00 56.19 ? 204 ALA b N 1 +ATOM 29906 C CA . ALA T 2 203 ? 60.588 7.043 -16.001 1.00 61.39 ? 204 ALA b CA 1 +ATOM 29907 C C . ALA T 2 203 ? 59.943 6.268 -14.855 1.00 61.05 ? 204 ALA b C 1 +ATOM 29908 O O . ALA T 2 203 ? 60.622 5.873 -13.894 1.00 69.63 ? 204 ALA b O 1 +ATOM 29909 C CB . ALA T 2 203 ? 60.277 8.537 -15.897 1.00 61.11 ? 204 ALA b CB 1 +ATOM 29910 N N . ALA T 2 204 ? 58.628 6.058 -14.920 1.00 62.24 ? 205 ALA b N 1 +ATOM 29911 C CA . ALA T 2 204 ? 57.967 5.319 -13.849 1.00 62.41 ? 205 ALA b CA 1 +ATOM 29912 C C . ALA T 2 204 ? 58.420 3.866 -13.820 1.00 59.11 ? 205 ALA b C 1 +ATOM 29913 O O . ALA T 2 204 ? 58.465 3.251 -12.745 1.00 62.11 ? 205 ALA b O 1 +ATOM 29914 C CB . ALA T 2 204 ? 56.449 5.405 -14.000 1.00 62.63 ? 205 ALA b CB 1 +ATOM 29915 N N . GLY T 2 205 ? 58.765 3.301 -14.986 1.00 59.82 ? 206 GLY b N 1 +ATOM 29916 C CA . GLY T 2 205 ? 59.277 1.937 -15.006 1.00 64.07 ? 206 GLY b CA 1 +ATOM 29917 C C . GLY T 2 205 ? 60.572 1.793 -14.225 1.00 57.37 ? 206 GLY b C 1 +ATOM 29918 O O . GLY T 2 205 ? 60.762 0.824 -13.486 1.00 68.04 ? 206 GLY b O 1 +ATOM 29919 N N . ILE T 2 206 ? 61.469 2.768 -14.367 1.00 69.76 ? 207 ILE b N 1 +ATOM 29920 C CA . ILE T 2 206 ? 62.741 2.751 -13.656 1.00 61.88 ? 207 ILE b CA 1 +ATOM 29921 C C . ILE T 2 206 ? 62.518 2.903 -12.157 1.00 60.19 ? 207 ILE b C 1 +ATOM 29922 O O . ILE T 2 206 ? 63.081 2.150 -11.349 1.00 63.82 ? 207 ILE b O 1 +ATOM 29923 C CB . ILE T 2 206 ? 63.651 3.859 -14.220 1.00 92.18 ? 207 ILE b CB 1 +ATOM 29924 C CG1 . ILE T 2 206 ? 64.170 3.448 -15.611 1.00 67.24 ? 207 ILE b CG1 1 +ATOM 29925 C CG2 . ILE T 2 206 ? 64.774 4.228 -13.226 1.00 63.05 ? 207 ILE b CG2 1 +ATOM 29926 C CD1 . ILE T 2 206 ? 64.658 4.611 -16.430 1.00 77.38 ? 207 ILE b CD1 1 +ATOM 29927 N N . VAL T 2 207 ? 61.689 3.874 -11.764 1.00 60.25 ? 208 VAL b N 1 +ATOM 29928 C CA . VAL T 2 207 ? 61.325 4.019 -10.355 1.00 66.26 ? 208 VAL b CA 1 +ATOM 29929 C C . VAL T 2 207 ? 60.696 2.729 -9.836 1.00 58.18 ? 208 VAL b C 1 +ATOM 29930 O O . VAL T 2 207 ? 60.987 2.286 -8.722 1.00 67.94 ? 208 VAL b O 1 +ATOM 29931 C CB . VAL T 2 207 ? 60.404 5.242 -10.164 1.00 62.39 ? 208 VAL b CB 1 +ATOM 29932 C CG1 . VAL T 2 207 ? 59.757 5.233 -8.809 1.00 61.97 ? 208 VAL b CG1 1 +ATOM 29933 C CG2 . VAL T 2 207 ? 61.194 6.519 -10.335 1.00 62.53 ? 208 VAL b CG2 1 +ATOM 29934 N N . GLY T 2 208 ? 59.888 2.064 -10.663 1.00 64.89 ? 209 GLY b N 1 +ATOM 29935 C CA . GLY T 2 208 ? 59.295 0.798 -10.249 1.00 57.74 ? 209 GLY b CA 1 +ATOM 29936 C C . GLY T 2 208 ? 60.288 -0.342 -10.099 1.00 63.52 ? 209 GLY b C 1 +ATOM 29937 O O . GLY T 2 208 ? 60.114 -1.212 -9.239 1.00 65.66 ? 209 GLY b O 1 +ATOM 29938 N N . ILE T 2 209 ? 61.331 -0.374 -10.931 1.00 66.84 ? 210 ILE b N 1 +ATOM 29939 C CA . ILE T 2 209 ? 62.397 -1.354 -10.727 1.00 62.77 ? 210 ILE b CA 1 +ATOM 29940 C C . ILE T 2 209 ? 63.163 -1.052 -9.437 1.00 70.40 ? 210 ILE b C 1 +ATOM 29941 O O . ILE T 2 209 ? 63.435 -1.950 -8.631 1.00 66.58 ? 210 ILE b O 1 +ATOM 29942 C CB . ILE T 2 209 ? 63.331 -1.384 -11.946 1.00 67.61 ? 210 ILE b CB 1 +ATOM 29943 C CG1 . ILE T 2 209 ? 62.571 -1.879 -13.174 1.00 71.55 ? 210 ILE b CG1 1 +ATOM 29944 C CG2 . ILE T 2 209 ? 64.532 -2.277 -11.668 1.00 65.54 ? 210 ILE b CG2 1 +ATOM 29945 C CD1 . ILE T 2 209 ? 63.164 -1.407 -14.488 1.00 65.28 ? 210 ILE b CD1 1 +ATOM 29946 N N . ILE T 2 210 ? 63.508 0.222 -9.212 1.00 65.26 ? 211 ILE b N 1 +ATOM 29947 C CA . ILE T 2 210 ? 64.275 0.587 -8.022 1.00 68.32 ? 211 ILE b CA 1 +ATOM 29948 C C . ILE T 2 210 ? 63.474 0.290 -6.759 1.00 60.68 ? 211 ILE b C 1 +ATOM 29949 O O . ILE T 2 210 ? 63.947 -0.407 -5.850 1.00 62.28 ? 211 ILE b O 1 +ATOM 29950 C CB . ILE T 2 210 ? 64.699 2.065 -8.096 1.00 67.11 ? 211 ILE b CB 1 +ATOM 29951 C CG1 . ILE T 2 210 ? 65.712 2.261 -9.224 1.00 61.49 ? 211 ILE b CG1 1 +ATOM 29952 C CG2 . ILE T 2 210 ? 65.286 2.513 -6.766 1.00 74.88 ? 211 ILE b CG2 1 +ATOM 29953 C CD1 . ILE T 2 210 ? 66.280 3.649 -9.297 1.00 65.27 ? 211 ILE b CD1 1 +ATOM 29954 N N . ALA T 2 211 ? 62.242 0.806 -6.687 1.00 67.28 ? 212 ALA b N 1 +ATOM 29955 C CA . ALA T 2 211 ? 61.355 0.479 -5.570 1.00 55.93 ? 212 ALA b CA 1 +ATOM 29956 C C . ALA T 2 211 ? 61.154 -1.022 -5.425 1.00 66.53 ? 212 ALA b C 1 +ATOM 29957 O O . ALA T 2 211 ? 61.046 -1.525 -4.296 1.00 72.23 ? 212 ALA b O 1 +ATOM 29958 C CB . ALA T 2 211 ? 60.010 1.173 -5.761 1.00 67.95 ? 212 ALA b CB 1 +ATOM 29959 N N . GLY T 2 212 ? 61.116 -1.758 -6.542 1.00 60.10 ? 213 GLY b N 1 +ATOM 29960 C CA . GLY T 2 212 ? 60.986 -3.206 -6.451 1.00 61.64 ? 213 GLY b CA 1 +ATOM 29961 C C . GLY T 2 212 ? 62.167 -3.858 -5.756 1.00 61.32 ? 213 GLY b C 1 +ATOM 29962 O O . GLY T 2 212 ? 61.998 -4.673 -4.846 1.00 64.36 ? 213 GLY b O 1 +ATOM 29963 N N . LEU T 2 213 ? 63.386 -3.506 -6.175 1.00 67.28 ? 214 LEU b N 1 +ATOM 29964 C CA . LEU T 2 213 ? 64.578 -4.006 -5.494 1.00 64.52 ? 214 LEU b CA 1 +ATOM 29965 C C . LEU T 2 213 ? 64.573 -3.628 -4.014 1.00 74.80 ? 214 LEU b C 1 +ATOM 29966 O O . LEU T 2 213 ? 64.908 -4.455 -3.153 1.00 63.12 ? 214 LEU b O 1 +ATOM 29967 C CB . LEU T 2 213 ? 65.832 -3.471 -6.184 1.00 71.52 ? 214 LEU b CB 1 +ATOM 29968 C CG . LEU T 2 213 ? 66.004 -4.003 -7.608 1.00 79.00 ? 214 LEU b CG 1 +ATOM 29969 C CD1 . LEU T 2 213 ? 67.277 -3.476 -8.229 1.00 86.13 ? 214 LEU b CD1 1 +ATOM 29970 C CD2 . LEU T 2 213 ? 66.001 -5.523 -7.593 1.00 76.07 ? 214 LEU b CD2 1 +ATOM 29971 N N . PHE T 2 214 ? 64.195 -2.383 -3.698 1.00 65.90 ? 215 PHE b N 1 +ATOM 29972 C CA . PHE T 2 214 ? 64.088 -1.983 -2.298 1.00 70.81 ? 215 PHE b CA 1 +ATOM 29973 C C . PHE T 2 214 ? 63.127 -2.890 -1.543 1.00 65.03 ? 215 PHE b C 1 +ATOM 29974 O O . PHE T 2 214 ? 63.467 -3.419 -0.478 1.00 76.62 ? 215 PHE b O 1 +ATOM 29975 C CB . PHE T 2 214 ? 63.640 -0.520 -2.171 1.00 55.56 ? 215 PHE b CB 1 +ATOM 29976 C CG . PHE T 2 214 ? 63.196 -0.161 -0.789 1.00 66.07 ? 215 PHE b CG 1 +ATOM 29977 C CD1 . PHE T 2 214 ? 64.126 0.114 0.202 1.00 68.23 ? 215 PHE b CD1 1 +ATOM 29978 C CD2 . PHE T 2 214 ? 61.853 -0.132 -0.464 1.00 62.69 ? 215 PHE b CD2 1 +ATOM 29979 C CE1 . PHE T 2 214 ? 63.725 0.422 1.481 1.00 62.63 ? 215 PHE b CE1 1 +ATOM 29980 C CE2 . PHE T 2 214 ? 61.449 0.178 0.821 1.00 70.32 ? 215 PHE b CE2 1 +ATOM 29981 C CZ . PHE T 2 214 ? 62.389 0.449 1.793 1.00 66.21 ? 215 PHE b CZ 1 +ATOM 29982 N N . HIS T 2 215 ? 61.918 -3.085 -2.077 1.00 72.10 ? 216 HIS b N 1 +ATOM 29983 C CA . HIS T 2 215 ? 60.923 -3.872 -1.353 1.00 68.48 ? 216 HIS b CA 1 +ATOM 29984 C C . HIS T 2 215 ? 61.248 -5.361 -1.328 1.00 65.98 ? 216 HIS b C 1 +ATOM 29985 O O . HIS T 2 215 ? 60.659 -6.101 -0.531 1.00 70.28 ? 216 HIS b O 1 +ATOM 29986 C CB . HIS T 2 215 ? 59.532 -3.624 -1.936 1.00 65.28 ? 216 HIS b CB 1 +ATOM 29987 C CG . HIS T 2 215 ? 58.861 -2.400 -1.393 1.00 52.18 ? 216 HIS b CG 1 +ATOM 29988 N ND1 . HIS T 2 215 ? 58.230 -2.387 -0.168 1.00 56.33 ? 216 HIS b ND1 1 +ATOM 29989 C CD2 . HIS T 2 215 ? 58.718 -1.153 -1.905 1.00 53.48 ? 216 HIS b CD2 1 +ATOM 29990 C CE1 . HIS T 2 215 ? 57.727 -1.183 0.050 1.00 60.59 ? 216 HIS b CE1 1 +ATOM 29991 N NE2 . HIS T 2 215 ? 58.007 -0.413 -0.987 1.00 55.46 ? 216 HIS b NE2 1 +ATOM 29992 N N . ILE T 2 216 ? 62.196 -5.821 -2.140 1.00 65.37 ? 217 ILE b N 1 +ATOM 29993 C CA . ILE T 2 216 ? 62.652 -7.196 -1.988 1.00 67.15 ? 217 ILE b CA 1 +ATOM 29994 C C . ILE T 2 216 ? 63.695 -7.298 -0.884 1.00 64.59 ? 217 ILE b C 1 +ATOM 29995 O O . ILE T 2 216 ? 63.692 -8.247 -0.095 1.00 66.74 ? 217 ILE b O 1 +ATOM 29996 C CB . ILE T 2 216 ? 63.185 -7.724 -3.331 1.00 70.66 ? 217 ILE b CB 1 +ATOM 29997 C CG1 . ILE T 2 216 ? 62.033 -7.924 -4.317 1.00 64.27 ? 217 ILE b CG1 1 +ATOM 29998 C CG2 . ILE T 2 216 ? 63.926 -9.018 -3.126 1.00 71.54 ? 217 ILE b CG2 1 +ATOM 29999 C CD1 . ILE T 2 216 ? 62.486 -8.095 -5.766 1.00 65.24 ? 217 ILE b CD1 1 +ATOM 30000 N N . LEU T 2 217 ? 64.583 -6.315 -0.784 1.00 68.04 ? 218 LEU b N 1 +ATOM 30001 C CA . LEU T 2 217 ? 65.719 -6.427 0.118 1.00 64.87 ? 218 LEU b CA 1 +ATOM 30002 C C . LEU T 2 217 ? 65.461 -5.884 1.520 1.00 78.55 ? 218 LEU b C 1 +ATOM 30003 O O . LEU T 2 217 ? 66.144 -6.307 2.456 1.00 85.44 ? 218 LEU b O 1 +ATOM 30004 C CB . LEU T 2 217 ? 66.924 -5.710 -0.485 1.00 78.47 ? 218 LEU b CB 1 +ATOM 30005 C CG . LEU T 2 217 ? 67.331 -6.272 -1.842 1.00 70.97 ? 218 LEU b CG 1 +ATOM 30006 C CD1 . LEU T 2 217 ? 68.180 -5.276 -2.599 1.00 71.03 ? 218 LEU b CD1 1 +ATOM 30007 C CD2 . LEU T 2 217 ? 68.064 -7.581 -1.661 1.00 69.86 ? 218 LEU b CD2 1 +ATOM 30008 N N . VAL T 2 218 ? 64.506 -4.974 1.705 1.00 75.24 ? 219 VAL b N 1 +ATOM 30009 C CA . VAL T 2 218 ? 64.315 -4.307 2.991 1.00 74.59 ? 219 VAL b CA 1 +ATOM 30010 C C . VAL T 2 218 ? 62.995 -4.749 3.614 1.00 66.44 ? 219 VAL b C 1 +ATOM 30011 O O . VAL T 2 218 ? 61.926 -4.549 3.028 1.00 75.13 ? 219 VAL b O 1 +ATOM 30012 C CB . VAL T 2 218 ? 64.363 -2.782 2.844 1.00 80.85 ? 219 VAL b CB 1 +ATOM 30013 C CG1 . VAL T 2 218 ? 64.074 -2.123 4.189 1.00 67.60 ? 219 VAL b CG1 1 +ATOM 30014 C CG2 . VAL T 2 218 ? 65.704 -2.359 2.287 1.00 68.07 ? 219 VAL b CG2 1 +ATOM 30015 N N . ARG T 2 219 ? 63.071 -5.301 4.819 1.00 64.62 ? 220 ARG b N 1 +ATOM 30016 C CA . ARG T 2 219 ? 61.893 -5.766 5.524 1.00 66.45 ? 220 ARG b CA 1 +ATOM 30017 C C . ARG T 2 219 ? 61.085 -4.595 6.087 1.00 68.40 ? 220 ARG b C 1 +ATOM 30018 O O . ARG T 2 219 ? 61.628 -3.519 6.344 1.00 72.95 ? 220 ARG b O 1 +ATOM 30019 C CB . ARG T 2 219 ? 62.298 -6.708 6.657 1.00 66.22 ? 220 ARG b CB 1 +ATOM 30020 C CG . ARG T 2 219 ? 63.036 -7.953 6.192 1.00 78.05 ? 220 ARG b CG 1 +ATOM 30021 C CD . ARG T 2 219 ? 62.199 -8.750 5.196 1.00 72.37 ? 220 ARG b CD 1 +ATOM 30022 N NE . ARG T 2 219 ? 60.924 -9.159 5.775 1.00 67.45 ? 220 ARG b NE 1 +ATOM 30023 C CZ . ARG T 2 219 ? 60.024 -9.910 5.155 1.00 70.82 ? 220 ARG b CZ 1 +ATOM 30024 N NH1 . ARG T 2 219 ? 60.239 -10.382 3.937 1.00 72.11 ? 220 ARG b NH1 1 +ATOM 30025 N NH2 . ARG T 2 219 ? 58.879 -10.192 5.770 1.00 60.63 ? 220 ARG b NH2 1 +ATOM 30026 N N . PRO T 2 220 ? 59.783 -4.782 6.286 1.00 61.84 ? 221 PRO b N 1 +ATOM 30027 C CA . PRO T 2 220 ? 58.949 -3.711 6.825 1.00 74.02 ? 221 PRO b CA 1 +ATOM 30028 C C . PRO T 2 220 ? 59.389 -3.325 8.225 1.00 66.73 ? 221 PRO b C 1 +ATOM 30029 O O . PRO T 2 220 ? 59.784 -4.191 9.023 1.00 63.21 ? 221 PRO b O 1 +ATOM 30030 C CB . PRO T 2 220 ? 57.542 -4.333 6.849 1.00 58.08 ? 221 PRO b CB 1 +ATOM 30031 C CG . PRO T 2 220 ? 57.593 -5.444 5.906 1.00 60.84 ? 221 PRO b CG 1 +ATOM 30032 C CD . PRO T 2 220 ? 58.985 -5.963 5.915 1.00 70.63 ? 221 PRO b CD 1 +ATOM 30033 N N . PRO T 2 221 ? 59.343 -2.038 8.562 1.00 63.14 ? 222 PRO b N 1 +ATOM 30034 C CA . PRO T 2 221 ? 59.495 -1.649 9.969 1.00 62.62 ? 222 PRO b CA 1 +ATOM 30035 C C . PRO T 2 221 ? 58.421 -2.320 10.815 1.00 69.46 ? 222 PRO b C 1 +ATOM 30036 O O . PRO T 2 221 ? 57.265 -2.434 10.404 1.00 69.03 ? 222 PRO b O 1 +ATOM 30037 C CB . PRO T 2 221 ? 59.329 -0.124 9.945 1.00 65.59 ? 222 PRO b CB 1 +ATOM 30038 C CG . PRO T 2 221 ? 59.612 0.285 8.524 1.00 70.30 ? 222 PRO b CG 1 +ATOM 30039 C CD . PRO T 2 221 ? 59.200 -0.879 7.657 1.00 61.26 ? 222 PRO b CD 1 +ATOM 30040 N N . GLN T 2 222 ? 58.821 -2.785 12.000 1.00 68.34 ? 223 GLN b N 1 +ATOM 30041 C CA . GLN T 2 222 ? 57.888 -3.465 12.893 1.00 59.81 ? 223 GLN b CA 1 +ATOM 30042 C C . GLN T 2 222 ? 56.661 -2.609 13.198 1.00 73.73 ? 223 GLN b C 1 +ATOM 30043 O O . GLN T 2 222 ? 55.556 -3.141 13.347 1.00 65.07 ? 223 GLN b O 1 +ATOM 30044 C CB . GLN T 2 222 ? 58.614 -3.856 14.182 1.00 69.04 ? 223 GLN b CB 1 +ATOM 30045 C CG . GLN T 2 222 ? 57.721 -4.042 15.403 1.00 79.79 ? 223 GLN b CG 1 +ATOM 30046 C CD . GLN T 2 222 ? 57.309 -5.488 15.615 1.00 109.10 ? 223 GLN b CD 1 +ATOM 30047 O OE1 . GLN T 2 222 ? 57.907 -6.207 16.429 1.00 104.55 ? 223 GLN b OE1 1 +ATOM 30048 N NE2 . GLN T 2 222 ? 56.283 -5.927 14.882 1.00 104.93 ? 223 GLN b NE2 1 +ATOM 30049 N N . ARG T 2 223 ? 56.820 -1.288 13.282 1.00 62.96 ? 224 ARG b N 1 +ATOM 30050 C CA . ARG T 2 223 ? 55.665 -0.447 13.577 1.00 71.54 ? 224 ARG b CA 1 +ATOM 30051 C C . ARG T 2 223 ? 54.687 -0.391 12.407 1.00 84.93 ? 224 ARG b C 1 +ATOM 30052 O O . ARG T 2 223 ? 53.474 -0.291 12.629 1.00 68.50 ? 224 ARG b O 1 +ATOM 30053 C CB . ARG T 2 223 ? 56.123 0.957 13.976 1.00 67.09 ? 224 ARG b CB 1 +ATOM 30054 C CG . ARG T 2 223 ? 57.020 0.899 15.194 1.00 83.42 ? 224 ARG b CG 1 +ATOM 30055 C CD . ARG T 2 223 ? 57.078 2.176 15.989 1.00 88.21 ? 224 ARG b CD 1 +ATOM 30056 N NE . ARG T 2 223 ? 55.901 2.397 16.819 1.00 108.05 ? 224 ARG b NE 1 +ATOM 30057 C CZ . ARG T 2 223 ? 55.902 3.082 17.957 1.00 81.81 ? 224 ARG b CZ 1 +ATOM 30058 N NH1 . ARG T 2 223 ? 57.021 3.551 18.481 1.00 79.43 ? 224 ARG b NH1 1 +ATOM 30059 N NH2 . ARG T 2 223 ? 54.753 3.298 18.584 1.00 85.87 ? 224 ARG b NH2 1 +ATOM 30060 N N . LEU T 2 224 ? 55.180 -0.459 11.165 1.00 62.71 ? 225 LEU b N 1 +ATOM 30061 C CA . LEU T 2 224 ? 54.267 -0.473 10.027 1.00 64.14 ? 225 LEU b CA 1 +ATOM 30062 C C . LEU T 2 224 ? 53.632 -1.848 9.860 1.00 69.49 ? 225 LEU b C 1 +ATOM 30063 O O . LEU T 2 224 ? 52.422 -1.953 9.626 1.00 64.54 ? 225 LEU b O 1 +ATOM 30064 C CB . LEU T 2 224 ? 54.997 -0.051 8.752 1.00 60.26 ? 225 LEU b CB 1 +ATOM 30065 C CG . LEU T 2 224 ? 55.510 1.388 8.695 1.00 63.79 ? 225 LEU b CG 1 +ATOM 30066 C CD1 . LEU T 2 224 ? 56.033 1.729 7.322 1.00 56.73 ? 225 LEU b CD1 1 +ATOM 30067 C CD2 . LEU T 2 224 ? 54.420 2.356 9.093 1.00 63.31 ? 225 LEU b CD2 1 +ATOM 30068 N N . TYR T 2 225 ? 54.429 -2.905 10.019 1.00 59.24 ? 226 TYR b N 1 +ATOM 30069 C CA . TYR T 2 225 ? 53.911 -4.261 9.928 1.00 54.75 ? 226 TYR b CA 1 +ATOM 30070 C C . TYR T 2 225 ? 52.694 -4.448 10.818 1.00 70.67 ? 226 TYR b C 1 +ATOM 30071 O O . TYR T 2 225 ? 51.695 -5.044 10.400 1.00 70.91 ? 226 TYR b O 1 +ATOM 30072 C CB . TYR T 2 225 ? 55.008 -5.256 10.300 1.00 53.18 ? 226 TYR b CB 1 +ATOM 30073 C CG . TYR T 2 225 ? 54.675 -6.696 10.004 1.00 59.52 ? 226 TYR b CG 1 +ATOM 30074 C CD1 . TYR T 2 225 ? 53.899 -7.447 10.874 1.00 63.02 ? 226 TYR b CD1 1 +ATOM 30075 C CD2 . TYR T 2 225 ? 55.150 -7.312 8.858 1.00 56.88 ? 226 TYR b CD2 1 +ATOM 30076 C CE1 . TYR T 2 225 ? 53.596 -8.761 10.603 1.00 55.14 ? 226 TYR b CE1 1 +ATOM 30077 C CE2 . TYR T 2 225 ? 54.863 -8.617 8.584 1.00 61.64 ? 226 TYR b CE2 1 +ATOM 30078 C CZ . TYR T 2 225 ? 54.083 -9.340 9.456 1.00 63.92 ? 226 TYR b CZ 1 +ATOM 30079 O OH . TYR T 2 225 ? 53.801 -10.654 9.175 1.00 70.52 ? 226 TYR b OH 1 +ATOM 30080 N N . LYS T 2 226 ? 52.755 -3.932 12.044 1.00 67.53 ? 227 LYS b N 1 +ATOM 30081 C CA . LYS T 2 226 ? 51.689 -4.145 13.016 1.00 69.99 ? 227 LYS b CA 1 +ATOM 30082 C C . LYS T 2 226 ? 50.520 -3.193 12.785 1.00 60.90 ? 227 LYS b C 1 +ATOM 30083 O O . LYS T 2 226 ? 49.359 -3.591 12.917 1.00 64.05 ? 227 LYS b O 1 +ATOM 30084 C CB . LYS T 2 226 ? 52.250 -3.991 14.435 1.00 68.07 ? 227 LYS b CB 1 +ATOM 30085 C CG . LYS T 2 226 ? 51.279 -4.378 15.546 1.00 87.85 ? 227 LYS b CG 1 +ATOM 30086 C CD . LYS T 2 226 ? 51.914 -4.234 16.934 1.00 119.82 ? 227 LYS b CD 1 +ATOM 30087 C CE . LYS T 2 226 ? 52.112 -2.768 17.328 1.00 137.61 ? 227 LYS b CE 1 +ATOM 30088 N NZ . LYS T 2 226 ? 52.831 -2.605 18.627 1.00 102.39 ? 227 LYS b NZ 1 +ATOM 30089 N N . ALA T 2 227 ? 50.806 -1.939 12.435 1.00 53.36 ? 228 ALA b N 1 +ATOM 30090 C CA . ALA T 2 227 ? 49.744 -0.964 12.183 1.00 70.32 ? 228 ALA b CA 1 +ATOM 30091 C C . ALA T 2 227 ? 48.911 -1.329 10.959 1.00 71.95 ? 228 ALA b C 1 +ATOM 30092 O O . ALA T 2 227 ? 47.693 -1.128 10.960 1.00 65.14 ? 228 ALA b O 1 +ATOM 30093 C CB . ALA T 2 227 ? 50.334 0.439 12.006 1.00 54.85 ? 228 ALA b CB 1 +ATOM 30094 N N . LEU T 2 228 ? 49.544 -1.851 9.907 1.00 59.22 ? 229 LEU b N 1 +ATOM 30095 C CA . LEU T 2 228 ? 48.846 -2.229 8.688 1.00 58.57 ? 229 LEU b CA 1 +ATOM 30096 C C . LEU T 2 228 ? 48.481 -3.709 8.631 1.00 73.30 ? 229 LEU b C 1 +ATOM 30097 O O . LEU T 2 228 ? 47.899 -4.148 7.635 1.00 66.64 ? 229 LEU b O 1 +ATOM 30098 C CB . LEU T 2 228 ? 49.690 -1.860 7.464 1.00 59.74 ? 229 LEU b CB 1 +ATOM 30099 C CG . LEU T 2 228 ? 49.763 -0.359 7.201 1.00 60.50 ? 229 LEU b CG 1 +ATOM 30100 C CD1 . LEU T 2 228 ? 50.725 -0.040 6.069 1.00 66.14 ? 229 LEU b CD1 1 +ATOM 30101 C CD2 . LEU T 2 228 ? 48.368 0.151 6.893 1.00 64.43 ? 229 LEU b CD2 1 +ATOM 30102 N N . ARG T 2 229 ? 48.807 -4.487 9.663 1.00 60.32 ? 230 ARG b N 1 +ATOM 30103 C CA . ARG T 2 229 ? 48.464 -5.909 9.715 1.00 60.25 ? 230 ARG b CA 1 +ATOM 30104 C C . ARG T 2 229 ? 49.034 -6.657 8.501 1.00 60.86 ? 230 ARG b C 1 +ATOM 30105 O O . ARG T 2 229 ? 48.328 -7.383 7.795 1.00 57.14 ? 230 ARG b O 1 +ATOM 30106 C CB . ARG T 2 229 ? 46.943 -6.106 9.830 1.00 52.11 ? 230 ARG b CB 1 +ATOM 30107 C CG . ARG T 2 229 ? 46.213 -5.197 10.824 1.00 57.10 ? 230 ARG b CG 1 +ATOM 30108 C CD . ARG T 2 229 ? 46.549 -5.520 12.272 1.00 65.01 ? 230 ARG b CD 1 +ATOM 30109 N NE . ARG T 2 229 ? 45.508 -5.028 13.169 1.00 76.67 ? 230 ARG b NE 1 +ATOM 30110 C CZ . ARG T 2 229 ? 45.454 -3.797 13.676 1.00 102.41 ? 230 ARG b CZ 1 +ATOM 30111 N NH1 . ARG T 2 229 ? 46.395 -2.893 13.424 1.00 83.16 ? 230 ARG b NH1 1 +ATOM 30112 N NH2 . ARG T 2 229 ? 44.427 -3.458 14.453 1.00 83.22 ? 230 ARG b NH2 1 +ATOM 30113 N N . MET T 2 230 ? 50.345 -6.505 8.288 1.00 62.67 ? 231 MET b N 1 +ATOM 30114 C CA . MET T 2 230 ? 51.004 -7.022 7.089 1.00 62.59 ? 231 MET b CA 1 +ATOM 30115 C C . MET T 2 230 ? 51.114 -8.540 7.056 1.00 63.54 ? 231 MET b C 1 +ATOM 30116 O O . MET T 2 230 ? 51.601 -9.075 6.047 1.00 72.78 ? 231 MET b O 1 +ATOM 30117 C CB . MET T 2 230 ? 52.392 -6.412 6.947 1.00 54.74 ? 231 MET b CB 1 +ATOM 30118 C CG . MET T 2 230 ? 52.358 -4.927 6.734 1.00 57.83 ? 231 MET b CG 1 +ATOM 30119 S SD . MET T 2 230 ? 53.954 -4.361 6.130 1.00 66.03 ? 231 MET b SD 1 +ATOM 30120 C CE . MET T 2 230 ? 53.684 -2.597 6.059 1.00 55.74 ? 231 MET b CE 1 +ATOM 30121 N N . GLY T 2 231 ? 50.686 -9.246 8.094 1.00 54.83 ? 232 GLY b N 1 +ATOM 30122 C CA . GLY T 2 231 ? 50.537 -10.681 8.012 1.00 59.20 ? 232 GLY b CA 1 +ATOM 30123 C C . GLY T 2 231 ? 49.149 -11.151 7.621 1.00 57.84 ? 232 GLY b C 1 +ATOM 30124 O O . GLY T 2 231 ? 48.912 -12.362 7.588 1.00 67.31 ? 232 GLY b O 1 +ATOM 30125 N N . ASN T 2 232 ? 48.227 -10.239 7.328 1.00 59.13 ? 233 ASN b N 1 +ATOM 30126 C CA . ASN T 2 232 ? 46.843 -10.556 6.999 1.00 52.95 ? 233 ASN b CA 1 +ATOM 30127 C C . ASN T 2 232 ? 46.603 -10.188 5.532 1.00 58.41 ? 233 ASN b C 1 +ATOM 30128 O O . ASN T 2 232 ? 46.696 -9.013 5.151 1.00 54.59 ? 233 ASN b O 1 +ATOM 30129 C CB . ASN T 2 232 ? 45.895 -9.805 7.938 1.00 50.40 ? 233 ASN b CB 1 +ATOM 30130 C CG . ASN T 2 232 ? 44.432 -10.024 7.611 1.00 61.68 ? 233 ASN b CG 1 +ATOM 30131 O OD1 . ASN T 2 232 ? 44.085 -10.608 6.585 1.00 58.73 ? 233 ASN b OD1 1 +ATOM 30132 N ND2 . ASN T 2 232 ? 43.559 -9.519 8.473 1.00 53.36 ? 233 ASN b ND2 1 +ATOM 30133 N N . ILE T 2 233 ? 46.287 -11.195 4.711 1.00 60.75 ? 234 ILE b N 1 +ATOM 30134 C CA . ILE T 2 233 ? 46.158 -10.976 3.273 1.00 54.53 ? 234 ILE b CA 1 +ATOM 30135 C C . ILE T 2 233 ? 45.044 -9.981 2.979 1.00 58.34 ? 234 ILE b C 1 +ATOM 30136 O O . ILE T 2 233 ? 45.071 -9.290 1.954 1.00 57.20 ? 234 ILE b O 1 +ATOM 30137 C CB . ILE T 2 233 ? 45.941 -12.321 2.539 1.00 60.63 ? 234 ILE b CB 1 +ATOM 30138 C CG1 . ILE T 2 233 ? 45.992 -12.123 1.022 1.00 59.27 ? 234 ILE b CG1 1 +ATOM 30139 C CG2 . ILE T 2 233 ? 44.620 -12.988 2.964 1.00 49.62 ? 234 ILE b CG2 1 +ATOM 30140 C CD1 . ILE T 2 233 ? 45.958 -13.408 0.242 1.00 58.18 ? 234 ILE b CD1 1 +ATOM 30141 N N . GLU T 2 234 ? 44.064 -9.865 3.876 1.00 55.95 ? 235 GLU b N 1 +ATOM 30142 C CA . GLU T 2 234 ? 42.979 -8.934 3.623 1.00 53.39 ? 235 GLU b CA 1 +ATOM 30143 C C . GLU T 2 234 ? 43.444 -7.479 3.669 1.00 57.38 ? 235 GLU b C 1 +ATOM 30144 O O . GLU T 2 234 ? 42.783 -6.612 3.077 1.00 56.00 ? 235 GLU b O 1 +ATOM 30145 C CB . GLU T 2 234 ? 41.833 -9.183 4.607 1.00 47.88 ? 235 GLU b CB 1 +ATOM 30146 C CG . GLU T 2 234 ? 40.509 -8.657 4.074 1.00 56.13 ? 235 GLU b CG 1 +ATOM 30147 C CD . GLU T 2 234 ? 39.300 -9.121 4.854 1.00 61.56 ? 235 GLU b CD 1 +ATOM 30148 O OE1 . GLU T 2 234 ? 39.451 -9.914 5.807 1.00 54.16 ? 235 GLU b OE1 1 +ATOM 30149 O OE2 . GLU T 2 234 ? 38.185 -8.683 4.507 1.00 57.10 ? 235 GLU b OE2 1 +ATOM 30150 N N . THR T 2 235 ? 44.569 -7.180 4.333 1.00 49.23 ? 236 THR b N 1 +ATOM 30151 C CA . THR T 2 235 ? 45.075 -5.813 4.262 1.00 53.65 ? 236 THR b CA 1 +ATOM 30152 C C . THR T 2 235 ? 45.502 -5.475 2.845 1.00 48.58 ? 236 THR b C 1 +ATOM 30153 O O . THR T 2 235 ? 45.331 -4.333 2.402 1.00 50.18 ? 236 THR b O 1 +ATOM 30154 C CB . THR T 2 235 ? 46.241 -5.560 5.237 1.00 58.97 ? 236 THR b CB 1 +ATOM 30155 O OG1 . THR T 2 235 ? 46.431 -4.136 5.368 1.00 59.69 ? 236 THR b OG1 1 +ATOM 30156 C CG2 . THR T 2 235 ? 47.560 -6.149 4.752 1.00 44.96 ? 236 THR b CG2 1 +ATOM 30157 N N . VAL T 2 236 ? 46.065 -6.452 2.122 1.00 50.70 ? 237 VAL b N 1 +ATOM 30158 C CA . VAL T 2 236 ? 46.442 -6.229 0.734 1.00 56.92 ? 237 VAL b CA 1 +ATOM 30159 C C . VAL T 2 236 ? 45.200 -5.996 -0.110 1.00 55.00 ? 237 VAL b C 1 +ATOM 30160 O O . VAL T 2 236 ? 45.191 -5.139 -0.999 1.00 53.16 ? 237 VAL b O 1 +ATOM 30161 C CB . VAL T 2 236 ? 47.265 -7.415 0.196 1.00 61.56 ? 237 VAL b CB 1 +ATOM 30162 C CG1 . VAL T 2 236 ? 47.722 -7.142 -1.263 1.00 51.54 ? 237 VAL b CG1 1 +ATOM 30163 C CG2 . VAL T 2 236 ? 48.442 -7.700 1.100 1.00 55.67 ? 237 VAL b CG2 1 +ATOM 30164 N N . LEU T 2 237 ? 44.131 -6.751 0.159 1.00 55.56 ? 238 LEU b N 1 +ATOM 30165 C CA . LEU T 2 237 ? 42.881 -6.510 -0.551 1.00 55.42 ? 238 LEU b CA 1 +ATOM 30166 C C . LEU T 2 237 ? 42.381 -5.083 -0.313 1.00 61.20 ? 238 LEU b C 1 +ATOM 30167 O O . LEU T 2 237 ? 41.884 -4.435 -1.252 1.00 53.50 ? 238 LEU b O 1 +ATOM 30168 C CB . LEU T 2 237 ? 41.831 -7.558 -0.157 1.00 50.23 ? 238 LEU b CB 1 +ATOM 30169 C CG . LEU T 2 237 ? 40.506 -7.512 -0.939 1.00 58.81 ? 238 LEU b CG 1 +ATOM 30170 C CD1 . LEU T 2 237 ? 40.710 -7.635 -2.469 1.00 52.36 ? 238 LEU b CD1 1 +ATOM 30171 C CD2 . LEU T 2 237 ? 39.522 -8.557 -0.445 1.00 46.78 ? 238 LEU b CD2 1 +ATOM 30172 N N A SER T 2 238 ? 42.549 -4.556 0.925 0.50 56.77 ? 239 SER b N 1 +ATOM 30173 N N B SER T 2 238 ? 42.528 -4.566 0.908 0.50 56.71 ? 239 SER b N 1 +ATOM 30174 C CA A SER T 2 238 ? 42.073 -3.204 1.237 0.50 53.07 ? 239 SER b CA 1 +ATOM 30175 C CA B SER T 2 238 ? 42.039 -3.219 1.195 0.50 53.07 ? 239 SER b CA 1 +ATOM 30176 C C A SER T 2 238 ? 42.807 -2.147 0.423 0.50 52.39 ? 239 SER b C 1 +ATOM 30177 C C B SER T 2 238 ? 42.796 -2.152 0.413 0.50 52.38 ? 239 SER b C 1 +ATOM 30178 O O A SER T 2 238 ? 42.180 -1.276 -0.193 0.50 52.56 ? 239 SER b O 1 +ATOM 30179 O O B SER T 2 238 ? 42.179 -1.250 -0.169 0.50 52.53 ? 239 SER b O 1 +ATOM 30180 C CB A SER T 2 238 ? 42.238 -2.901 2.728 0.50 53.39 ? 239 SER b CB 1 +ATOM 30181 C CB B SER T 2 238 ? 42.125 -2.921 2.684 0.50 53.32 ? 239 SER b CB 1 +ATOM 30182 O OG A SER T 2 238 ? 41.647 -3.901 3.536 0.50 67.63 ? 239 SER b OG 1 +ATOM 30183 O OG B SER T 2 238 ? 41.579 -1.647 2.938 0.50 43.36 ? 239 SER b OG 1 +ATOM 30184 N N . SER T 2 239 ? 44.134 -2.203 0.420 1.00 56.18 ? 240 SER b N 1 +ATOM 30185 C CA . SER T 2 239 ? 44.885 -1.156 -0.276 1.00 61.03 ? 240 SER b CA 1 +ATOM 30186 C C . SER T 2 239 ? 44.829 -1.340 -1.786 1.00 47.85 ? 240 SER b C 1 +ATOM 30187 O O . SER T 2 239 ? 44.879 -0.350 -2.522 1.00 55.72 ? 240 SER b O 1 +ATOM 30188 C CB . SER T 2 239 ? 46.336 -1.091 0.227 1.00 51.21 ? 240 SER b CB 1 +ATOM 30189 O OG . SER T 2 239 ? 46.816 -2.368 0.635 1.00 53.77 ? 240 SER b OG 1 +ATOM 30190 N N . SER T 2 240 ? 44.695 -2.583 -2.268 1.00 57.69 ? 241 SER b N 1 +ATOM 30191 C CA . SER T 2 240 ? 44.609 -2.814 -3.715 1.00 54.88 ? 241 SER b CA 1 +ATOM 30192 C C . SER T 2 240 ? 43.321 -2.243 -4.288 1.00 50.54 ? 241 SER b C 1 +ATOM 30193 O O . SER T 2 240 ? 43.334 -1.579 -5.335 1.00 51.37 ? 241 SER b O 1 +ATOM 30194 C CB . SER T 2 240 ? 44.701 -4.311 -4.029 1.00 52.39 ? 241 SER b CB 1 +ATOM 30195 O OG . SER T 2 240 ? 46.015 -4.793 -3.839 1.00 52.96 ? 241 SER b OG 1 +ATOM 30196 N N . ILE T 2 241 ? 42.192 -2.498 -3.613 1.00 53.51 ? 242 ILE b N 1 +ATOM 30197 C CA . ILE T 2 241 ? 40.922 -1.905 -4.030 1.00 49.88 ? 242 ILE b CA 1 +ATOM 30198 C C . ILE T 2 241 ? 41.032 -0.385 -4.070 1.00 52.41 ? 242 ILE b C 1 +ATOM 30199 O O . ILE T 2 241 ? 40.595 0.252 -5.035 1.00 53.97 ? 242 ILE b O 1 +ATOM 30200 C CB . ILE T 2 241 ? 39.786 -2.371 -3.099 1.00 51.66 ? 242 ILE b CB 1 +ATOM 30201 C CG1 . ILE T 2 241 ? 39.514 -3.864 -3.323 1.00 49.25 ? 242 ILE b CG1 1 +ATOM 30202 C CG2 . ILE T 2 241 ? 38.530 -1.506 -3.300 1.00 46.70 ? 242 ILE b CG2 1 +ATOM 30203 C CD1 . ILE T 2 241 ? 38.549 -4.478 -2.324 1.00 54.43 ? 242 ILE b CD1 1 +ATOM 30204 N N . ALA T 2 242 ? 41.638 0.220 -3.035 1.00 50.54 ? 243 ALA b N 1 +ATOM 30205 C CA . ALA T 2 242 ? 41.817 1.676 -3.018 1.00 47.76 ? 243 ALA b CA 1 +ATOM 30206 C C . ALA T 2 242 ? 42.629 2.156 -4.218 1.00 49.34 ? 243 ALA b C 1 +ATOM 30207 O O . ALA T 2 242 ? 42.265 3.136 -4.882 1.00 49.52 ? 243 ALA b O 1 +ATOM 30208 C CB . ALA T 2 242 ? 42.484 2.113 -1.707 1.00 50.43 ? 243 ALA b CB 1 +ATOM 30209 N N . ALA T 2 243 ? 43.740 1.481 -4.513 1.00 51.08 ? 244 ALA b N 1 +ATOM 30210 C CA . ALA T 2 243 ? 44.524 1.859 -5.688 1.00 49.94 ? 244 ALA b CA 1 +ATOM 30211 C C . ALA T 2 243 ? 43.689 1.725 -6.954 1.00 58.97 ? 244 ALA b C 1 +ATOM 30212 O O . ALA T 2 243 ? 43.816 2.524 -7.890 1.00 55.04 ? 244 ALA b O 1 +ATOM 30213 C CB . ALA T 2 243 ? 45.785 0.991 -5.787 1.00 50.71 ? 244 ALA b CB 1 +ATOM 30214 N N . VAL T 2 244 ? 42.820 0.719 -6.996 1.00 50.04 ? 245 VAL b N 1 +ATOM 30215 C CA . VAL T 2 244 ? 42.069 0.448 -8.207 1.00 50.34 ? 245 VAL b CA 1 +ATOM 30216 C C . VAL T 2 244 ? 40.956 1.481 -8.409 1.00 48.93 ? 245 VAL b C 1 +ATOM 30217 O O . VAL T 2 244 ? 40.700 1.907 -9.545 1.00 49.50 ? 245 VAL b O 1 +ATOM 30218 C CB . VAL T 2 244 ? 41.562 -1.008 -8.158 1.00 59.06 ? 245 VAL b CB 1 +ATOM 30219 C CG1 . VAL T 2 244 ? 40.226 -1.152 -8.798 1.00 50.88 ? 245 VAL b CG1 1 +ATOM 30220 C CG2 . VAL T 2 244 ? 42.582 -1.929 -8.823 1.00 49.66 ? 245 VAL b CG2 1 +ATOM 30221 N N . PHE T 2 245 ? 40.304 1.941 -7.325 1.00 46.29 ? 246 PHE b N 1 +ATOM 30222 C CA . PHE T 2 245 ? 39.279 2.962 -7.547 1.00 54.88 ? 246 PHE b CA 1 +ATOM 30223 C C . PHE T 2 245 ? 39.893 4.333 -7.804 1.00 53.19 ? 246 PHE b C 1 +ATOM 30224 O O . PHE T 2 245 ? 39.295 5.151 -8.512 1.00 57.63 ? 246 PHE b O 1 +ATOM 30225 C CB . PHE T 2 245 ? 38.227 2.986 -6.406 1.00 51.94 ? 246 PHE b CB 1 +ATOM 30226 C CG . PHE T 2 245 ? 38.615 3.730 -5.131 1.00 50.47 ? 246 PHE b CG 1 +ATOM 30227 C CD1 . PHE T 2 245 ? 38.751 5.107 -5.103 1.00 58.65 ? 246 PHE b CD1 1 +ATOM 30228 C CD2 . PHE T 2 245 ? 38.708 3.045 -3.932 1.00 52.65 ? 246 PHE b CD2 1 +ATOM 30229 C CE1 . PHE T 2 245 ? 39.067 5.780 -3.917 1.00 60.38 ? 246 PHE b CE1 1 +ATOM 30230 C CE2 . PHE T 2 245 ? 39.009 3.693 -2.752 1.00 63.69 ? 246 PHE b CE2 1 +ATOM 30231 C CZ . PHE T 2 245 ? 39.187 5.077 -2.738 1.00 60.49 ? 246 PHE b CZ 1 +ATOM 30232 N N . PHE T 2 246 ? 41.078 4.592 -7.258 1.00 54.83 ? 247 PHE b N 1 +ATOM 30233 C CA . PHE T 2 246 ? 41.860 5.753 -7.673 1.00 56.61 ? 247 PHE b CA 1 +ATOM 30234 C C . PHE T 2 246 ? 42.100 5.720 -9.186 1.00 55.32 ? 247 PHE b C 1 +ATOM 30235 O O . PHE T 2 246 ? 41.774 6.672 -9.908 1.00 51.73 ? 247 PHE b O 1 +ATOM 30236 C CB . PHE T 2 246 ? 43.185 5.766 -6.888 1.00 50.52 ? 247 PHE b CB 1 +ATOM 30237 C CG . PHE T 2 246 ? 44.030 6.980 -7.119 1.00 56.96 ? 247 PHE b CG 1 +ATOM 30238 C CD1 . PHE T 2 246 ? 44.989 6.997 -8.118 1.00 57.09 ? 247 PHE b CD1 1 +ATOM 30239 C CD2 . PHE T 2 246 ? 43.875 8.105 -6.317 1.00 73.46 ? 247 PHE b CD2 1 +ATOM 30240 C CE1 . PHE T 2 246 ? 45.760 8.130 -8.342 1.00 71.15 ? 247 PHE b CE1 1 +ATOM 30241 C CE2 . PHE T 2 246 ? 44.654 9.240 -6.521 1.00 82.15 ? 247 PHE b CE2 1 +ATOM 30242 C CZ . PHE T 2 246 ? 45.600 9.251 -7.534 1.00 73.69 ? 247 PHE b CZ 1 +ATOM 30243 N N . ALA T 2 247 ? 42.635 4.605 -9.686 1.00 50.35 ? 248 ALA b N 1 +ATOM 30244 C CA . ALA T 2 247 ? 42.888 4.478 -11.117 1.00 48.45 ? 248 ALA b CA 1 +ATOM 30245 C C . ALA T 2 247 ? 41.601 4.611 -11.935 1.00 48.94 ? 248 ALA b C 1 +ATOM 30246 O O . ALA T 2 247 ? 41.589 5.268 -12.983 1.00 52.15 ? 248 ALA b O 1 +ATOM 30247 C CB . ALA T 2 247 ? 43.581 3.147 -11.383 1.00 47.21 ? 248 ALA b CB 1 +ATOM 30248 N N . ALA T 2 248 ? 40.495 4.039 -11.454 1.00 54.19 ? 249 ALA b N 1 +ATOM 30249 C CA . ALA T 2 248 ? 39.252 4.096 -12.221 1.00 49.92 ? 249 ALA b CA 1 +ATOM 30250 C C . ALA T 2 248 ? 38.689 5.510 -12.301 1.00 48.34 ? 249 ALA b C 1 +ATOM 30251 O O . ALA T 2 248 ? 38.103 5.881 -13.325 1.00 53.63 ? 249 ALA b O 1 +ATOM 30252 C CB . ALA T 2 248 ? 38.210 3.156 -11.623 1.00 50.42 ? 249 ALA b CB 1 +ATOM 30253 N N . PHE T 2 249 ? 38.844 6.314 -11.246 1.00 46.01 ? 250 PHE b N 1 +ATOM 30254 C CA . PHE T 2 249 ? 38.410 7.707 -11.344 1.00 44.05 ? 250 PHE b CA 1 +ATOM 30255 C C . PHE T 2 249 ? 39.265 8.480 -12.342 1.00 48.02 ? 250 PHE b C 1 +ATOM 30256 O O . PHE T 2 249 ? 38.750 9.316 -13.083 1.00 48.49 ? 250 PHE b O 1 +ATOM 30257 C CB . PHE T 2 249 ? 38.444 8.380 -9.972 1.00 52.77 ? 250 PHE b CB 1 +ATOM 30258 C CG . PHE T 2 249 ? 37.191 8.195 -9.167 1.00 48.66 ? 250 PHE b CG 1 +ATOM 30259 C CD1 . PHE T 2 249 ? 35.959 8.596 -9.676 1.00 53.32 ? 250 PHE b CD1 1 +ATOM 30260 C CD2 . PHE T 2 249 ? 37.243 7.658 -7.879 1.00 50.61 ? 250 PHE b CD2 1 +ATOM 30261 C CE1 . PHE T 2 249 ? 34.790 8.431 -8.926 1.00 48.18 ? 250 PHE b CE1 1 +ATOM 30262 C CE2 . PHE T 2 249 ? 36.085 7.494 -7.132 1.00 46.71 ? 250 PHE b CE2 1 +ATOM 30263 C CZ . PHE T 2 249 ? 34.860 7.889 -7.654 1.00 50.28 ? 250 PHE b CZ 1 +ATOM 30264 N N . VAL T 2 250 ? 40.551 8.162 -12.428 1.00 49.44 ? 251 VAL b N 1 +ATOM 30265 C CA . VAL T 2 250 ? 41.421 8.858 -13.369 1.00 59.81 ? 251 VAL b CA 1 +ATOM 30266 C C . VAL T 2 250 ? 41.050 8.527 -14.820 1.00 56.91 ? 251 VAL b C 1 +ATOM 30267 O O . VAL T 2 250 ? 40.978 9.425 -15.668 1.00 51.30 ? 251 VAL b O 1 +ATOM 30268 C CB . VAL T 2 250 ? 42.894 8.526 -13.070 1.00 52.47 ? 251 VAL b CB 1 +ATOM 30269 C CG1 . VAL T 2 250 ? 43.791 9.033 -14.208 1.00 48.96 ? 251 VAL b CG1 1 +ATOM 30270 C CG2 . VAL T 2 250 ? 43.290 9.134 -11.735 1.00 50.90 ? 251 VAL b CG2 1 +ATOM 30271 N N . VAL T 2 251 ? 40.817 7.239 -15.135 1.00 50.35 ? 252 VAL b N 1 +ATOM 30272 C CA . VAL T 2 251 ? 40.522 6.902 -16.529 1.00 53.32 ? 252 VAL b CA 1 +ATOM 30273 C C . VAL T 2 251 ? 39.148 7.415 -16.915 1.00 46.70 ? 252 VAL b C 1 +ATOM 30274 O O . VAL T 2 251 ? 38.911 7.736 -18.079 1.00 53.93 ? 252 VAL b O 1 +ATOM 30275 C CB . VAL T 2 251 ? 40.652 5.386 -16.843 1.00 51.81 ? 252 VAL b CB 1 +ATOM 30276 C CG1 . VAL T 2 251 ? 42.061 4.893 -16.584 1.00 49.75 ? 252 VAL b CG1 1 +ATOM 30277 C CG2 . VAL T 2 251 ? 39.621 4.536 -16.082 1.00 44.51 ? 252 VAL b CG2 1 +ATOM 30278 N N . ALA T 2 252 ? 38.223 7.503 -15.967 1.00 48.62 ? 253 ALA b N 1 +ATOM 30279 C CA . ALA T 2 252 ? 36.936 8.116 -16.278 1.00 47.26 ? 253 ALA b CA 1 +ATOM 30280 C C . ALA T 2 252 ? 37.105 9.597 -16.586 1.00 52.46 ? 253 ALA b C 1 +ATOM 30281 O O . ALA T 2 252 ? 36.505 10.118 -17.539 1.00 55.92 ? 253 ALA b O 1 +ATOM 30282 C CB . ALA T 2 252 ? 35.958 7.908 -15.113 1.00 48.59 ? 253 ALA b CB 1 +ATOM 30283 N N . GLY T 2 253 ? 37.923 10.291 -15.793 1.00 50.78 ? 254 GLY b N 1 +ATOM 30284 C CA . GLY T 2 253 ? 38.118 11.716 -16.015 1.00 45.60 ? 254 GLY b CA 1 +ATOM 30285 C C . GLY T 2 253 ? 38.778 12.009 -17.345 1.00 50.51 ? 254 GLY b C 1 +ATOM 30286 O O . GLY T 2 253 ? 38.292 12.838 -18.118 1.00 52.64 ? 254 GLY b O 1 +ATOM 30287 N N . THR T 2 254 ? 39.872 11.298 -17.656 1.00 52.80 ? 255 THR b N 1 +ATOM 30288 C CA . THR T 2 254 ? 40.572 11.584 -18.910 1.00 55.05 ? 255 THR b CA 1 +ATOM 30289 C C . THR T 2 254 ? 39.767 11.126 -20.117 1.00 52.24 ? 255 THR b C 1 +ATOM 30290 O O . THR T 2 254 ? 39.933 11.680 -21.210 1.00 53.00 ? 255 THR b O 1 +ATOM 30291 C CB . THR T 2 254 ? 41.972 10.949 -18.945 1.00 53.36 ? 255 THR b CB 1 +ATOM 30292 O OG1 . THR T 2 254 ? 41.880 9.521 -18.934 1.00 52.69 ? 255 THR b OG1 1 +ATOM 30293 C CG2 . THR T 2 254 ? 42.829 11.443 -17.743 1.00 52.67 ? 255 THR b CG2 1 +ATOM 30294 N N . MET T 2 255 ? 38.899 10.118 -19.958 1.00 52.06 ? 256 MET b N 1 +ATOM 30295 C CA . MET T 2 255 ? 37.994 9.789 -21.060 1.00 53.27 ? 256 MET b CA 1 +ATOM 30296 C C . MET T 2 255 ? 36.993 10.926 -21.308 1.00 48.94 ? 256 MET b C 1 +ATOM 30297 O O . MET T 2 255 ? 36.698 11.265 -22.463 1.00 49.51 ? 256 MET b O 1 +ATOM 30298 C CB . MET T 2 255 ? 37.276 8.456 -20.787 1.00 45.92 ? 256 MET b CB 1 +ATOM 30299 C CG . MET T 2 255 ? 36.322 8.028 -21.927 1.00 52.40 ? 256 MET b CG 1 +ATOM 30300 S SD . MET T 2 255 ? 37.149 7.621 -23.502 1.00 49.98 ? 256 MET b SD 1 +ATOM 30301 C CE . MET T 2 255 ? 37.992 6.109 -23.014 1.00 45.10 ? 256 MET b CE 1 +ATOM 30302 N N . TRP T 2 256 ? 36.483 11.549 -20.240 1.00 46.22 ? 257 TRP b N 1 +ATOM 30303 C CA . TRP T 2 256 ? 35.440 12.556 -20.402 1.00 51.45 ? 257 TRP b CA 1 +ATOM 30304 C C . TRP T 2 256 ? 36.000 13.908 -20.861 1.00 52.72 ? 257 TRP b C 1 +ATOM 30305 O O . TRP T 2 256 ? 35.387 14.584 -21.696 1.00 49.55 ? 257 TRP b O 1 +ATOM 30306 C CB . TRP T 2 256 ? 34.659 12.728 -19.093 1.00 51.25 ? 257 TRP b CB 1 +ATOM 30307 C CG . TRP T 2 256 ? 33.367 13.470 -19.279 1.00 47.91 ? 257 TRP b CG 1 +ATOM 30308 C CD1 . TRP T 2 256 ? 33.006 14.650 -18.711 1.00 51.45 ? 257 TRP b CD1 1 +ATOM 30309 C CD2 . TRP T 2 256 ? 32.263 13.066 -20.103 1.00 49.27 ? 257 TRP b CD2 1 +ATOM 30310 N NE1 . TRP T 2 256 ? 31.738 15.008 -19.118 1.00 48.01 ? 257 TRP b NE1 1 +ATOM 30311 C CE2 . TRP T 2 256 ? 31.270 14.059 -19.989 1.00 50.43 ? 257 TRP b CE2 1 +ATOM 30312 C CE3 . TRP T 2 256 ? 32.018 11.955 -20.913 1.00 47.69 ? 257 TRP b CE3 1 +ATOM 30313 C CZ2 . TRP T 2 256 ? 30.054 13.980 -20.659 1.00 46.48 ? 257 TRP b CZ2 1 +ATOM 30314 C CZ3 . TRP T 2 256 ? 30.803 11.875 -21.583 1.00 49.66 ? 257 TRP b CZ3 1 +ATOM 30315 C CH2 . TRP T 2 256 ? 29.838 12.889 -21.453 1.00 54.00 ? 257 TRP b CH2 1 +ATOM 30316 N N . TYR T 2 257 ? 37.140 14.336 -20.313 1.00 53.13 ? 258 TYR b N 1 +ATOM 30317 C CA . TYR T 2 257 ? 37.734 15.606 -20.731 1.00 53.53 ? 258 TYR b CA 1 +ATOM 30318 C C . TYR T 2 257 ? 38.595 15.448 -21.979 1.00 55.50 ? 258 TYR b C 1 +ATOM 30319 O O . TYR T 2 257 ? 38.793 16.420 -22.717 1.00 50.87 ? 258 TYR b O 1 +ATOM 30320 C CB . TYR T 2 257 ? 38.586 16.200 -19.602 1.00 52.28 ? 258 TYR b CB 1 +ATOM 30321 C CG . TYR T 2 257 ? 37.797 16.378 -18.330 1.00 52.12 ? 258 TYR b CG 1 +ATOM 30322 C CD1 . TYR T 2 257 ? 36.643 17.138 -18.327 1.00 51.77 ? 258 TYR b CD1 1 +ATOM 30323 C CD2 . TYR T 2 257 ? 38.193 15.757 -17.137 1.00 51.67 ? 258 TYR b CD2 1 +ATOM 30324 C CE1 . TYR T 2 257 ? 35.902 17.282 -17.190 1.00 55.33 ? 258 TYR b CE1 1 +ATOM 30325 C CE2 . TYR T 2 257 ? 37.450 15.903 -15.976 1.00 49.37 ? 258 TYR b CE2 1 +ATOM 30326 C CZ . TYR T 2 257 ? 36.303 16.673 -16.016 1.00 54.25 ? 258 TYR b CZ 1 +ATOM 30327 O OH . TYR T 2 257 ? 35.528 16.850 -14.896 1.00 59.59 ? 258 TYR b OH 1 +ATOM 30328 N N . GLY T 2 258 ? 39.105 14.258 -22.229 1.00 50.83 ? 259 GLY b N 1 +ATOM 30329 C CA . GLY T 2 258 ? 40.013 14.178 -23.350 1.00 52.11 ? 259 GLY b CA 1 +ATOM 30330 C C . GLY T 2 258 ? 41.457 14.168 -22.883 1.00 52.99 ? 259 GLY b C 1 +ATOM 30331 O O . GLY T 2 258 ? 41.834 14.822 -21.905 1.00 59.95 ? 259 GLY b O 1 +ATOM 30332 N N . SER T 2 259 ? 42.264 13.371 -23.557 1.00 55.14 ? 260 SER b N 1 +ATOM 30333 C CA . SER T 2 259 ? 43.706 13.361 -23.373 1.00 62.14 ? 260 SER b CA 1 +ATOM 30334 C C . SER T 2 259 ? 44.309 12.749 -24.629 1.00 58.74 ? 260 SER b C 1 +ATOM 30335 O O . SER T 2 259 ? 43.592 12.336 -25.540 1.00 61.38 ? 260 SER b O 1 +ATOM 30336 C CB . SER T 2 259 ? 44.118 12.591 -22.119 1.00 45.91 ? 260 SER b CB 1 +ATOM 30337 O OG . SER T 2 259 ? 44.116 11.194 -22.360 1.00 57.49 ? 260 SER b OG 1 +ATOM 30338 N N . ALA T 2 260 ? 45.640 12.692 -24.661 1.00 61.47 ? 261 ALA b N 1 +ATOM 30339 C CA . ALA T 2 260 ? 46.338 12.030 -25.746 1.00 52.51 ? 261 ALA b CA 1 +ATOM 30340 C C . ALA T 2 260 ? 46.011 10.539 -25.817 1.00 61.98 ? 261 ALA b C 1 +ATOM 30341 O O . ALA T 2 260 ? 46.206 9.922 -26.873 1.00 53.74 ? 261 ALA b O 1 +ATOM 30342 C CB . ALA T 2 260 ? 47.848 12.240 -25.596 1.00 51.77 ? 261 ALA b CB 1 +ATOM 30343 N N . THR T 2 261 ? 45.530 9.927 -24.734 1.00 54.82 ? 262 THR b N 1 +ATOM 30344 C CA . THR T 2 261 ? 45.222 8.509 -24.815 1.00 53.60 ? 262 THR b CA 1 +ATOM 30345 C C . THR T 2 261 ? 43.739 8.236 -25.039 1.00 48.35 ? 262 THR b C 1 +ATOM 30346 O O . THR T 2 261 ? 43.328 7.077 -25.006 1.00 60.64 ? 262 THR b O 1 +ATOM 30347 C CB . THR T 2 261 ? 45.728 7.752 -23.573 1.00 60.28 ? 262 THR b CB 1 +ATOM 30348 O OG1 . THR T 2 261 ? 44.906 8.031 -22.426 1.00 55.01 ? 262 THR b OG1 1 +ATOM 30349 C CG2 . THR T 2 261 ? 47.199 8.099 -23.291 1.00 53.13 ? 262 THR b CG2 1 +ATOM 30350 N N . THR T 2 262 ? 42.923 9.257 -25.273 1.00 51.18 ? 263 THR b N 1 +ATOM 30351 C CA . THR T 2 262 ? 41.521 9.047 -25.632 1.00 53.48 ? 263 THR b CA 1 +ATOM 30352 C C . THR T 2 262 ? 41.191 9.841 -26.895 1.00 58.13 ? 263 THR b C 1 +ATOM 30353 O O . THR T 2 262 ? 40.358 10.756 -26.878 1.00 52.84 ? 263 THR b O 1 +ATOM 30354 C CB . THR T 2 262 ? 40.582 9.398 -24.475 1.00 50.79 ? 263 THR b CB 1 +ATOM 30355 O OG1 . THR T 2 262 ? 40.654 10.798 -24.179 1.00 54.72 ? 263 THR b OG1 1 +ATOM 30356 C CG2 . THR T 2 262 ? 40.934 8.570 -23.211 1.00 48.56 ? 263 THR b CG2 1 +ATOM 30357 N N . PRO T 2 263 ? 41.780 9.458 -28.030 1.00 52.64 ? 264 PRO b N 1 +ATOM 30358 C CA . PRO T 2 263 ? 41.618 10.246 -29.258 1.00 57.11 ? 264 PRO b CA 1 +ATOM 30359 C C . PRO T 2 263 ? 40.175 10.244 -29.731 1.00 63.58 ? 264 PRO b C 1 +ATOM 30360 O O . PRO T 2 263 ? 39.433 9.272 -29.530 1.00 58.94 ? 264 PRO b O 1 +ATOM 30361 C CB . PRO T 2 263 ? 42.521 9.522 -30.274 1.00 53.86 ? 264 PRO b CB 1 +ATOM 30362 C CG . PRO T 2 263 ? 43.249 8.467 -29.513 1.00 53.94 ? 264 PRO b CG 1 +ATOM 30363 C CD . PRO T 2 263 ? 42.491 8.197 -28.265 1.00 55.28 ? 264 PRO b CD 1 +ATOM 30364 N N . ILE T 2 264 ? 39.801 11.323 -30.423 1.00 52.42 ? 265 ILE b N 1 +ATOM 30365 C CA . ILE T 2 264 ? 38.413 11.475 -30.842 1.00 57.79 ? 265 ILE b CA 1 +ATOM 30366 C C . ILE T 2 264 ? 38.074 10.617 -32.048 1.00 59.62 ? 265 ILE b C 1 +ATOM 30367 O O . ILE T 2 264 ? 36.890 10.361 -32.291 1.00 59.20 ? 265 ILE b O 1 +ATOM 30368 C CB . ILE T 2 264 ? 38.055 12.942 -31.138 1.00 63.07 ? 265 ILE b CB 1 +ATOM 30369 C CG1 . ILE T 2 264 ? 38.753 13.428 -32.392 1.00 57.94 ? 265 ILE b CG1 1 +ATOM 30370 C CG2 . ILE T 2 264 ? 38.420 13.839 -29.940 1.00 53.27 ? 265 ILE b CG2 1 +ATOM 30371 C CD1 . ILE T 2 264 ? 38.370 14.852 -32.767 1.00 69.16 ? 265 ILE b CD1 1 +ATOM 30372 N N . GLU T 2 265 ? 39.067 10.153 -32.815 1.00 53.16 ? 266 GLU b N 1 +ATOM 30373 C CA . GLU T 2 265 ? 38.763 9.246 -33.918 1.00 62.26 ? 266 GLU b CA 1 +ATOM 30374 C C . GLU T 2 265 ? 38.467 7.828 -33.443 1.00 51.43 ? 266 GLU b C 1 +ATOM 30375 O O . GLU T 2 265 ? 37.881 7.048 -34.195 1.00 55.29 ? 266 GLU b O 1 +ATOM 30376 C CB . GLU T 2 265 ? 39.914 9.235 -34.929 1.00 53.91 ? 266 GLU b CB 1 +ATOM 30377 C CG . GLU T 2 265 ? 39.908 10.453 -35.870 1.00 59.50 ? 266 GLU b CG 1 +ATOM 30378 C CD . GLU T 2 265 ? 41.281 10.758 -36.449 1.00 58.08 ? 266 GLU b CD 1 +ATOM 30379 O OE1 . GLU T 2 265 ? 42.227 10.982 -35.657 1.00 52.83 ? 266 GLU b OE1 1 +ATOM 30380 O OE2 . GLU T 2 265 ? 41.410 10.749 -37.693 1.00 55.02 ? 266 GLU b OE2 1 +ATOM 30381 N N . LEU T 2 266 ? 38.868 7.480 -32.226 1.00 50.27 ? 267 LEU b N 1 +ATOM 30382 C CA . LEU T 2 266 ? 38.576 6.184 -31.631 1.00 50.65 ? 267 LEU b CA 1 +ATOM 30383 C C . LEU T 2 266 ? 37.365 6.206 -30.707 1.00 52.35 ? 267 LEU b C 1 +ATOM 30384 O O . LEU T 2 266 ? 36.580 5.257 -30.709 1.00 57.13 ? 267 LEU b O 1 +ATOM 30385 C CB . LEU T 2 266 ? 39.797 5.671 -30.852 1.00 49.70 ? 267 LEU b CB 1 +ATOM 30386 C CG . LEU T 2 266 ? 41.098 5.637 -31.670 1.00 61.58 ? 267 LEU b CG 1 +ATOM 30387 C CD1 . LEU T 2 266 ? 42.209 4.897 -30.938 1.00 46.15 ? 267 LEU b CD1 1 +ATOM 30388 C CD2 . LEU T 2 266 ? 40.877 5.060 -33.070 1.00 50.92 ? 267 LEU b CD2 1 +ATOM 30389 N N . PHE T 2 267 ? 37.180 7.256 -29.909 1.00 53.51 ? 268 PHE b N 1 +ATOM 30390 C CA . PHE T 2 267 ? 36.076 7.300 -28.959 1.00 46.82 ? 268 PHE b CA 1 +ATOM 30391 C C . PHE T 2 267 ? 35.040 8.365 -29.277 1.00 53.31 ? 268 PHE b C 1 +ATOM 30392 O O . PHE T 2 267 ? 34.035 8.445 -28.566 1.00 54.80 ? 268 PHE b O 1 +ATOM 30393 C CB . PHE T 2 267 ? 36.624 7.501 -27.544 1.00 42.48 ? 268 PHE b CB 1 +ATOM 30394 C CG . PHE T 2 267 ? 37.646 6.462 -27.154 1.00 52.42 ? 268 PHE b CG 1 +ATOM 30395 C CD1 . PHE T 2 267 ? 37.240 5.199 -26.688 1.00 51.01 ? 268 PHE b CD1 1 +ATOM 30396 C CD2 . PHE T 2 267 ? 39.005 6.728 -27.252 1.00 49.93 ? 268 PHE b CD2 1 +ATOM 30397 C CE1 . PHE T 2 267 ? 38.175 4.232 -26.338 1.00 47.38 ? 268 PHE b CE1 1 +ATOM 30398 C CE2 . PHE T 2 267 ? 39.952 5.745 -26.892 1.00 54.19 ? 268 PHE b CE2 1 +ATOM 30399 C CZ . PHE T 2 267 ? 39.527 4.498 -26.443 1.00 49.61 ? 268 PHE b CZ 1 +ATOM 30400 N N . GLY T 2 268 ? 35.236 9.156 -30.340 1.00 47.13 ? 269 GLY b N 1 +ATOM 30401 C CA . GLY T 2 268 ? 34.337 10.234 -30.679 1.00 44.02 ? 269 GLY b CA 1 +ATOM 30402 C C . GLY T 2 268 ? 34.717 11.510 -29.951 1.00 55.81 ? 269 GLY b C 1 +ATOM 30403 O O . GLY T 2 268 ? 35.539 11.512 -29.014 1.00 51.47 ? 269 GLY b O 1 +ATOM 30404 N N . PRO T 2 269 ? 34.072 12.606 -30.314 1.00 42.50 ? 270 PRO b N 1 +ATOM 30405 C CA . PRO T 2 269 ? 34.394 13.902 -29.694 1.00 52.32 ? 270 PRO b CA 1 +ATOM 30406 C C . PRO T 2 269 ? 33.907 13.986 -28.251 1.00 53.15 ? 270 PRO b C 1 +ATOM 30407 O O . PRO T 2 269 ? 33.163 13.140 -27.751 1.00 52.40 ? 270 PRO b O 1 +ATOM 30408 C CB . PRO T 2 269 ? 33.682 14.921 -30.590 1.00 48.78 ? 270 PRO b CB 1 +ATOM 30409 C CG . PRO T 2 269 ? 32.622 14.165 -31.303 1.00 54.31 ? 270 PRO b CG 1 +ATOM 30410 C CD . PRO T 2 269 ? 33.052 12.712 -31.372 1.00 54.08 ? 270 PRO b CD 1 +ATOM 30411 N N . THR T 2 270 ? 34.378 15.016 -27.556 1.00 49.65 ? 271 THR b N 1 +ATOM 30412 C CA . THR T 2 270 ? 33.952 15.267 -26.186 1.00 46.79 ? 271 THR b CA 1 +ATOM 30413 C C . THR T 2 270 ? 32.790 16.256 -26.175 1.00 53.81 ? 271 THR b C 1 +ATOM 30414 O O . THR T 2 270 ? 32.509 16.942 -27.166 1.00 49.22 ? 271 THR b O 1 +ATOM 30415 C CB . THR T 2 270 ? 35.088 15.827 -25.330 1.00 52.74 ? 271 THR b CB 1 +ATOM 30416 O OG1 . THR T 2 270 ? 35.266 17.218 -25.634 1.00 51.59 ? 271 THR b OG1 1 +ATOM 30417 C CG2 . THR T 2 270 ? 36.395 15.054 -25.566 1.00 43.72 ? 271 THR b CG2 1 +ATOM 30418 N N . ARG T 2 271 ? 32.091 16.303 -25.039 1.00 49.74 ? 272 ARG b N 1 +ATOM 30419 C CA . ARG T 2 271 ? 31.013 17.272 -24.899 1.00 53.42 ? 272 ARG b CA 1 +ATOM 30420 C C . ARG T 2 271 ? 31.564 18.685 -24.884 1.00 51.48 ? 272 ARG b C 1 +ATOM 30421 O O . ARG T 2 271 ? 30.886 19.613 -25.349 1.00 53.68 ? 272 ARG b O 1 +ATOM 30422 C CB . ARG T 2 271 ? 30.187 17.010 -23.623 1.00 49.81 ? 272 ARG b CB 1 +ATOM 30423 C CG . ARG T 2 271 ? 30.929 17.285 -22.301 1.00 50.18 ? 272 ARG b CG 1 +ATOM 30424 C CD . ARG T 2 271 ? 29.963 17.688 -21.177 1.00 49.72 ? 272 ARG b CD 1 +ATOM 30425 N NE . ARG T 2 271 ? 29.364 18.986 -21.439 1.00 47.99 ? 272 ARG b NE 1 +ATOM 30426 C CZ . ARG T 2 271 ? 28.181 19.381 -20.991 1.00 52.27 ? 272 ARG b CZ 1 +ATOM 30427 N NH1 . ARG T 2 271 ? 27.432 18.603 -20.222 1.00 46.20 ? 272 ARG b NH1 1 +ATOM 30428 N NH2 . ARG T 2 271 ? 27.735 20.591 -21.322 1.00 50.49 ? 272 ARG b NH2 1 +ATOM 30429 N N . TYR T 2 272 ? 32.789 18.865 -24.369 1.00 50.84 ? 273 TYR b N 1 +ATOM 30430 C CA . TYR T 2 272 ? 33.367 20.205 -24.260 1.00 52.00 ? 273 TYR b CA 1 +ATOM 30431 C C . TYR T 2 272 ? 33.720 20.780 -25.622 1.00 53.08 ? 273 TYR b C 1 +ATOM 30432 O O . TYR T 2 272 ? 33.738 22.001 -25.776 1.00 53.21 ? 273 TYR b O 1 +ATOM 30433 C CB . TYR T 2 272 ? 34.581 20.168 -23.320 1.00 48.36 ? 273 TYR b CB 1 +ATOM 30434 C CG . TYR T 2 272 ? 34.152 19.623 -21.966 1.00 54.98 ? 273 TYR b CG 1 +ATOM 30435 C CD1 . TYR T 2 272 ? 33.427 20.410 -21.083 1.00 51.26 ? 273 TYR b CD1 1 +ATOM 30436 C CD2 . TYR T 2 272 ? 34.384 18.294 -21.620 1.00 48.87 ? 273 TYR b CD2 1 +ATOM 30437 C CE1 . TYR T 2 272 ? 32.987 19.903 -19.866 1.00 53.89 ? 273 TYR b CE1 1 +ATOM 30438 C CE2 . TYR T 2 272 ? 33.955 17.775 -20.396 1.00 43.72 ? 273 TYR b CE2 1 +ATOM 30439 C CZ . TYR T 2 272 ? 33.247 18.570 -19.538 1.00 54.75 ? 273 TYR b CZ 1 +ATOM 30440 O OH . TYR T 2 272 ? 32.823 18.059 -18.330 1.00 49.62 ? 273 TYR b OH 1 +ATOM 30441 N N . GLN T 2 273 ? 33.934 19.930 -26.629 1.00 51.16 ? 274 GLN b N 1 +ATOM 30442 C CA . GLN T 2 273 ? 34.141 20.454 -27.970 1.00 55.34 ? 274 GLN b CA 1 +ATOM 30443 C C . GLN T 2 273 ? 32.861 21.065 -28.532 1.00 48.68 ? 274 GLN b C 1 +ATOM 30444 O O . GLN T 2 273 ? 32.927 22.012 -29.310 1.00 49.28 ? 274 GLN b O 1 +ATOM 30445 C CB . GLN T 2 273 ? 34.704 19.351 -28.862 1.00 48.70 ? 274 GLN b CB 1 +ATOM 30446 C CG . GLN T 2 273 ? 36.172 19.097 -28.576 1.00 48.38 ? 274 GLN b CG 1 +ATOM 30447 C CD . GLN T 2 273 ? 36.703 17.795 -29.152 1.00 62.30 ? 274 GLN b CD 1 +ATOM 30448 O OE1 . GLN T 2 273 ? 35.976 16.798 -29.245 1.00 57.08 ? 274 GLN b OE1 1 +ATOM 30449 N NE2 . GLN T 2 273 ? 37.986 17.791 -29.527 1.00 49.45 ? 274 GLN b NE2 1 +ATOM 30450 N N . TRP T 2 274 ? 31.691 20.578 -28.116 1.00 56.86 ? 275 TRP b N 1 +ATOM 30451 C CA . TRP T 2 274 ? 30.452 21.246 -28.503 1.00 57.61 ? 275 TRP b CA 1 +ATOM 30452 C C . TRP T 2 274 ? 30.215 22.501 -27.678 1.00 53.65 ? 275 TRP b C 1 +ATOM 30453 O O . TRP T 2 274 ? 29.801 23.528 -28.222 1.00 58.63 ? 275 TRP b O 1 +ATOM 30454 C CB . TRP T 2 274 ? 29.263 20.301 -28.352 1.00 45.36 ? 275 TRP b CB 1 +ATOM 30455 C CG . TRP T 2 274 ? 27.925 20.928 -28.676 1.00 48.01 ? 275 TRP b CG 1 +ATOM 30456 C CD1 . TRP T 2 274 ? 26.980 21.344 -27.790 1.00 41.83 ? 275 TRP b CD1 1 +ATOM 30457 C CD2 . TRP T 2 274 ? 27.376 21.172 -29.990 1.00 47.08 ? 275 TRP b CD2 1 +ATOM 30458 N NE1 . TRP T 2 274 ? 25.887 21.841 -28.454 1.00 49.85 ? 275 TRP b NE1 1 +ATOM 30459 C CE2 . TRP T 2 274 ? 26.108 21.754 -29.807 1.00 42.29 ? 275 TRP b CE2 1 +ATOM 30460 C CE3 . TRP T 2 274 ? 27.832 20.936 -31.291 1.00 49.91 ? 275 TRP b CE3 1 +ATOM 30461 C CZ2 . TRP T 2 274 ? 25.287 22.104 -30.872 1.00 49.95 ? 275 TRP b CZ2 1 +ATOM 30462 C CZ3 . TRP T 2 274 ? 27.023 21.295 -32.355 1.00 52.88 ? 275 TRP b CZ3 1 +ATOM 30463 C CH2 . TRP T 2 274 ? 25.762 21.878 -32.142 1.00 49.57 ? 275 TRP b CH2 1 +ATOM 30464 N N . ASP T 2 275 ? 30.438 22.418 -26.361 1.00 54.12 ? 276 ASP b N 1 +ATOM 30465 C CA . ASP T 2 275 ? 30.215 23.561 -25.475 1.00 54.08 ? 276 ASP b CA 1 +ATOM 30466 C C . ASP T 2 275 ? 30.950 24.790 -25.977 1.00 57.28 ? 276 ASP b C 1 +ATOM 30467 O O . ASP T 2 275 ? 30.398 25.891 -25.980 1.00 54.61 ? 276 ASP b O 1 +ATOM 30468 C CB . ASP T 2 275 ? 30.678 23.252 -24.042 1.00 56.65 ? 276 ASP b CB 1 +ATOM 30469 C CG . ASP T 2 275 ? 29.838 22.184 -23.351 1.00 56.60 ? 276 ASP b CG 1 +ATOM 30470 O OD1 . ASP T 2 275 ? 28.612 22.173 -23.552 1.00 52.92 ? 276 ASP b OD1 1 +ATOM 30471 O OD2 . ASP T 2 275 ? 30.416 21.370 -22.592 1.00 56.52 ? 276 ASP b OD2 1 +ATOM 30472 N N . SER T 2 276 ? 32.190 24.616 -26.419 1.00 49.78 ? 277 SER b N 1 +ATOM 30473 C CA . SER T 2 276 ? 33.048 25.729 -26.788 1.00 56.10 ? 277 SER b CA 1 +ATOM 30474 C C . SER T 2 276 ? 33.104 25.965 -28.294 1.00 58.51 ? 277 SER b C 1 +ATOM 30475 O O . SER T 2 276 ? 33.929 26.757 -28.748 1.00 61.77 ? 277 SER b O 1 +ATOM 30476 C CB . SER T 2 276 ? 34.450 25.488 -26.243 1.00 57.19 ? 277 SER b CB 1 +ATOM 30477 O OG . SER T 2 276 ? 35.040 24.405 -26.930 1.00 65.02 ? 277 SER b OG 1 +ATOM 30478 N N . SER T 2 277 ? 32.251 25.299 -29.073 1.00 56.11 ? 278 SER b N 1 +ATOM 30479 C CA . SER T 2 277 ? 32.203 25.463 -30.532 1.00 59.40 ? 278 SER b CA 1 +ATOM 30480 C C . SER T 2 277 ? 33.577 25.260 -31.168 1.00 65.37 ? 278 SER b C 1 +ATOM 30481 O O . SER T 2 277 ? 33.954 25.954 -32.120 1.00 59.17 ? 278 SER b O 1 +ATOM 30482 C CB . SER T 2 277 ? 31.620 26.820 -30.915 1.00 57.94 ? 278 SER b CB 1 +ATOM 30483 O OG . SER T 2 277 ? 30.310 26.935 -30.395 1.00 61.75 ? 278 SER b OG 1 +ATOM 30484 N N . TYR T 2 278 ? 34.306 24.267 -30.643 1.00 46.28 ? 279 TYR b N 1 +ATOM 30485 C CA . TYR T 2 278 ? 35.692 24.014 -31.030 1.00 59.93 ? 279 TYR b CA 1 +ATOM 30486 C C . TYR T 2 278 ? 35.822 23.731 -32.518 1.00 67.74 ? 279 TYR b C 1 +ATOM 30487 O O . TYR T 2 278 ? 36.724 24.250 -33.185 1.00 60.83 ? 279 TYR b O 1 +ATOM 30488 C CB . TYR T 2 278 ? 36.218 22.836 -30.220 1.00 46.48 ? 279 TYR b CB 1 +ATOM 30489 C CG . TYR T 2 278 ? 37.621 22.365 -30.519 1.00 65.68 ? 279 TYR b CG 1 +ATOM 30490 C CD1 . TYR T 2 278 ? 38.719 23.038 -30.006 1.00 56.47 ? 279 TYR b CD1 1 +ATOM 30491 C CD2 . TYR T 2 278 ? 37.852 21.189 -31.248 1.00 60.78 ? 279 TYR b CD2 1 +ATOM 30492 C CE1 . TYR T 2 278 ? 40.008 22.593 -30.242 1.00 60.92 ? 279 TYR b CE1 1 +ATOM 30493 C CE2 . TYR T 2 278 ? 39.147 20.731 -31.483 1.00 52.30 ? 279 TYR b CE2 1 +ATOM 30494 C CZ . TYR T 2 278 ? 40.219 21.443 -30.976 1.00 59.70 ? 279 TYR b CZ 1 +ATOM 30495 O OH . TYR T 2 278 ? 41.510 21.024 -31.178 1.00 59.56 ? 279 TYR b OH 1 +ATOM 30496 N N . PHE T 2 279 ? 34.946 22.880 -33.051 1.00 57.83 ? 280 PHE b N 1 +ATOM 30497 C CA . PHE T 2 279 ? 35.020 22.557 -34.462 1.00 54.52 ? 280 PHE b CA 1 +ATOM 30498 C C . PHE T 2 279 ? 34.403 23.647 -35.316 1.00 58.01 ? 280 PHE b C 1 +ATOM 30499 O O . PHE T 2 279 ? 34.867 23.876 -36.440 1.00 56.20 ? 280 PHE b O 1 +ATOM 30500 C CB . PHE T 2 279 ? 34.334 21.216 -34.741 1.00 55.74 ? 280 PHE b CB 1 +ATOM 30501 C CG . PHE T 2 279 ? 34.951 20.058 -34.019 1.00 57.77 ? 280 PHE b CG 1 +ATOM 30502 C CD1 . PHE T 2 279 ? 36.111 19.456 -34.507 1.00 55.72 ? 280 PHE b CD1 1 +ATOM 30503 C CD2 . PHE T 2 279 ? 34.373 19.558 -32.852 1.00 53.24 ? 280 PHE b CD2 1 +ATOM 30504 C CE1 . PHE T 2 279 ? 36.690 18.379 -33.831 1.00 48.44 ? 280 PHE b CE1 1 +ATOM 30505 C CE2 . PHE T 2 279 ? 34.942 18.480 -32.192 1.00 48.95 ? 280 PHE b CE2 1 +ATOM 30506 C CZ . PHE T 2 279 ? 36.100 17.893 -32.681 1.00 47.04 ? 280 PHE b CZ 1 +ATOM 30507 N N . GLN T 2 280 ? 33.360 24.318 -34.819 1.00 54.27 ? 281 GLN b N 1 +ATOM 30508 C CA . GLN T 2 280 ? 32.754 25.376 -35.616 1.00 56.46 ? 281 GLN b CA 1 +ATOM 30509 C C . GLN T 2 280 ? 33.746 26.507 -35.862 1.00 66.27 ? 281 GLN b C 1 +ATOM 30510 O O . GLN T 2 280 ? 33.711 27.148 -36.917 1.00 57.21 ? 281 GLN b O 1 +ATOM 30511 C CB . GLN T 2 280 ? 31.495 25.915 -34.935 1.00 54.51 ? 281 GLN b CB 1 +ATOM 30512 C CG . GLN T 2 280 ? 30.780 27.002 -35.755 1.00 58.99 ? 281 GLN b CG 1 +ATOM 30513 C CD . GLN T 2 280 ? 29.646 27.669 -34.992 1.00 59.69 ? 281 GLN b CD 1 +ATOM 30514 O OE1 . GLN T 2 280 ? 29.768 27.945 -33.808 1.00 77.12 ? 281 GLN b OE1 1 +ATOM 30515 N NE2 . GLN T 2 280 ? 28.534 27.919 -35.669 1.00 68.49 ? 281 GLN b NE2 1 +ATOM 30516 N N . GLN T 2 281 ? 34.652 26.741 -34.912 1.00 57.04 ? 282 GLN b N 1 +ATOM 30517 C CA . GLN T 2 281 ? 35.604 27.837 -35.037 1.00 59.29 ? 282 GLN b CA 1 +ATOM 30518 C C . GLN T 2 281 ? 36.688 27.511 -36.044 1.00 61.35 ? 282 GLN b C 1 +ATOM 30519 O O . GLN T 2 281 ? 37.172 28.403 -36.747 1.00 63.71 ? 282 GLN b O 1 +ATOM 30520 C CB . GLN T 2 281 ? 36.237 28.144 -33.684 1.00 58.68 ? 282 GLN b CB 1 +ATOM 30521 C CG . GLN T 2 281 ? 35.341 28.878 -32.734 1.00 69.27 ? 282 GLN b CG 1 +ATOM 30522 C CD . GLN T 2 281 ? 35.975 29.023 -31.362 1.00 97.18 ? 282 GLN b CD 1 +ATOM 30523 O OE1 . GLN T 2 281 ? 37.157 28.710 -31.174 1.00 104.60 ? 282 GLN b OE1 1 +ATOM 30524 N NE2 . GLN T 2 281 ? 35.190 29.489 -30.391 1.00 101.06 ? 282 GLN b NE2 1 +ATOM 30525 N N . GLU T 2 282 ? 37.109 26.246 -36.107 1.00 54.67 ? 283 GLU b N 1 +ATOM 30526 C CA . GLU T 2 282 ? 38.082 25.853 -37.119 1.00 61.82 ? 283 GLU b CA 1 +ATOM 30527 C C . GLU T 2 282 ? 37.468 25.884 -38.513 1.00 65.90 ? 283 GLU b C 1 +ATOM 30528 O O . GLU T 2 282 ? 38.116 26.312 -39.477 1.00 69.37 ? 283 GLU b O 1 +ATOM 30529 C CB . GLU T 2 282 ? 38.638 24.466 -36.797 1.00 59.94 ? 283 GLU b CB 1 +ATOM 30530 C CG . GLU T 2 282 ? 39.655 23.928 -37.815 1.00 65.01 ? 283 GLU b CG 1 +ATOM 30531 C CD . GLU T 2 282 ? 40.957 24.746 -37.878 1.00 75.16 ? 283 GLU b CD 1 +ATOM 30532 O OE1 . GLU T 2 282 ? 41.138 25.710 -37.100 1.00 71.80 ? 283 GLU b OE1 1 +ATOM 30533 O OE2 . GLU T 2 282 ? 41.816 24.406 -38.715 1.00 76.01 ? 283 GLU b OE2 1 +ATOM 30534 N N . ILE T 2 283 ? 36.223 25.425 -38.640 1.00 62.00 ? 284 ILE b N 1 +ATOM 30535 C CA . ILE T 2 283 ? 35.515 25.525 -39.911 1.00 64.19 ? 284 ILE b CA 1 +ATOM 30536 C C . ILE T 2 283 ? 35.451 26.983 -40.356 1.00 70.62 ? 284 ILE b C 1 +ATOM 30537 O O . ILE T 2 283 ? 35.753 27.312 -41.509 1.00 64.68 ? 284 ILE b O 1 +ATOM 30538 C CB . ILE T 2 283 ? 34.108 24.909 -39.786 1.00 52.34 ? 284 ILE b CB 1 +ATOM 30539 C CG1 . ILE T 2 283 ? 34.175 23.388 -39.608 1.00 64.26 ? 284 ILE b CG1 1 +ATOM 30540 C CG2 . ILE T 2 283 ? 33.232 25.307 -40.953 1.00 51.42 ? 284 ILE b CG2 1 +ATOM 30541 C CD1 . ILE T 2 283 ? 32.874 22.802 -39.106 1.00 51.11 ? 284 ILE b CD1 1 +ATOM 30542 N N . ASN T 2 284 ? 35.066 27.879 -39.436 1.00 67.31 ? 285 ASN b N 1 +ATOM 30543 C CA . ASN T 2 284 ? 34.977 29.299 -39.758 1.00 76.50 ? 285 ASN b CA 1 +ATOM 30544 C C . ASN T 2 284 ? 36.342 29.881 -40.109 1.00 73.96 ? 285 ASN b C 1 +ATOM 30545 O O . ASN T 2 284 ? 36.460 30.642 -41.069 1.00 60.91 ? 285 ASN b O 1 +ATOM 30546 C CB . ASN T 2 284 ? 34.345 30.069 -38.600 1.00 65.50 ? 285 ASN b CB 1 +ATOM 30547 C CG . ASN T 2 284 ? 32.825 29.913 -38.551 1.00 84.63 ? 285 ASN b CG 1 +ATOM 30548 O OD1 . ASN T 2 284 ? 32.206 29.455 -39.508 1.00 82.38 ? 285 ASN b OD1 1 +ATOM 30549 N ND2 . ASN T 2 284 ? 32.219 30.302 -37.426 1.00 82.54 ? 285 ASN b ND2 1 +ATOM 30550 N N . ARG T 2 285 ? 37.383 29.524 -39.353 1.00 64.57 ? 286 ARG b N 1 +ATOM 30551 C CA . ARG T 2 285 ? 38.740 29.941 -39.706 1.00 62.69 ? 286 ARG b CA 1 +ATOM 30552 C C . ARG T 2 285 ? 39.121 29.506 -41.120 1.00 70.40 ? 286 ARG b C 1 +ATOM 30553 O O . ARG T 2 285 ? 39.729 30.276 -41.868 1.00 68.13 ? 286 ARG b O 1 +ATOM 30554 C CB . ARG T 2 285 ? 39.737 29.368 -38.699 1.00 76.46 ? 286 ARG b CB 1 +ATOM 30555 C CG . ARG T 2 285 ? 41.164 29.826 -38.903 1.00 83.84 ? 286 ARG b CG 1 +ATOM 30556 C CD . ARG T 2 285 ? 42.169 28.903 -38.230 1.00 83.29 ? 286 ARG b CD 1 +ATOM 30557 N NE . ARG T 2 285 ? 42.295 27.627 -38.935 1.00 88.53 ? 286 ARG b NE 1 +ATOM 30558 C CZ . ARG T 2 285 ? 43.070 27.419 -39.993 1.00 95.59 ? 286 ARG b CZ 1 +ATOM 30559 N NH1 . ARG T 2 285 ? 43.778 28.401 -40.536 1.00 102.78 ? 286 ARG b NH1 1 +ATOM 30560 N NH2 . ARG T 2 285 ? 43.135 26.196 -40.523 1.00 82.95 ? 286 ARG b NH2 1 +ATOM 30561 N N . ARG T 2 286 ? 38.796 28.264 -41.499 1.00 76.57 ? 287 ARG b N 1 +ATOM 30562 C CA . ARG T 2 286 ? 39.196 27.765 -42.810 1.00 65.72 ? 287 ARG b CA 1 +ATOM 30563 C C . ARG T 2 286 ? 38.430 28.463 -43.930 1.00 75.99 ? 287 ARG b C 1 +ATOM 30564 O O . ARG T 2 286 ? 38.974 28.673 -45.019 1.00 71.06 ? 287 ARG b O 1 +ATOM 30565 C CB . ARG T 2 286 ? 38.996 26.246 -42.870 1.00 71.68 ? 287 ARG b CB 1 +ATOM 30566 C CG . ARG T 2 286 ? 40.183 25.400 -42.339 1.00 71.01 ? 287 ARG b CG 1 +ATOM 30567 C CD . ARG T 2 286 ? 39.716 24.024 -41.836 1.00 58.44 ? 287 ARG b CD 1 +ATOM 30568 N NE . ARG T 2 286 ? 40.465 22.903 -42.398 1.00 85.01 ? 287 ARG b NE 1 +ATOM 30569 C CZ . ARG T 2 286 ? 41.260 22.097 -41.702 1.00 86.17 ? 287 ARG b CZ 1 +ATOM 30570 N NH1 . ARG T 2 286 ? 41.447 22.254 -40.401 1.00 83.65 ? 287 ARG b NH1 1 +ATOM 30571 N NH2 . ARG T 2 286 ? 41.875 21.097 -42.326 1.00 93.53 ? 287 ARG b NH2 1 +ATOM 30572 N N . VAL T 2 287 ? 37.182 28.847 -43.671 1.00 74.98 ? 288 VAL b N 1 +ATOM 30573 C CA . VAL T 2 287 ? 36.362 29.496 -44.685 1.00 73.07 ? 288 VAL b CA 1 +ATOM 30574 C C . VAL T 2 287 ? 36.761 30.961 -44.865 1.00 80.81 ? 288 VAL b C 1 +ATOM 30575 O O . VAL T 2 287 ? 36.811 31.461 -45.994 1.00 81.97 ? 288 VAL b O 1 +ATOM 30576 C CB . VAL T 2 287 ? 34.871 29.342 -44.322 1.00 77.69 ? 288 VAL b CB 1 +ATOM 30577 C CG1 . VAL T 2 287 ? 33.995 30.299 -45.130 1.00 71.54 ? 288 VAL b CG1 1 +ATOM 30578 C CG2 . VAL T 2 287 ? 34.424 27.900 -44.530 1.00 65.68 ? 288 VAL b CG2 1 +ATOM 30579 N N . GLN T 2 288 ? 37.051 31.679 -43.774 1.00 76.10 ? 289 GLN b N 1 +ATOM 30580 C CA . GLN T 2 288 ? 37.552 33.046 -43.921 1.00 81.48 ? 289 GLN b CA 1 +ATOM 30581 C C . GLN T 2 288 ? 38.853 33.067 -44.711 1.00 76.37 ? 289 GLN b C 1 +ATOM 30582 O O . GLN T 2 288 ? 39.041 33.916 -45.588 1.00 83.06 ? 289 GLN b O 1 +ATOM 30583 C CB . GLN T 2 288 ? 37.773 33.716 -42.563 1.00 67.50 ? 289 GLN b CB 1 +ATOM 30584 C CG . GLN T 2 288 ? 36.665 33.577 -41.537 1.00 89.90 ? 289 GLN b CG 1 +ATOM 30585 C CD . GLN T 2 288 ? 35.400 34.354 -41.859 1.00 109.06 ? 289 GLN b CD 1 +ATOM 30586 O OE1 . GLN T 2 288 ? 35.203 34.823 -42.980 1.00 113.50 ? 289 GLN b OE1 1 +ATOM 30587 N NE2 . GLN T 2 288 ? 34.525 34.486 -40.861 1.00 112.61 ? 289 GLN b NE2 1 +ATOM 30588 N N . ALA T 2 289 ? 39.761 32.134 -44.420 1.00 75.75 ? 290 ALA b N 1 +ATOM 30589 C CA . ALA T 2 289 ? 41.024 32.089 -45.143 1.00 85.61 ? 290 ALA b CA 1 +ATOM 30590 C C . ALA T 2 289 ? 40.792 31.891 -46.639 1.00 90.88 ? 290 ALA b C 1 +ATOM 30591 O O . ALA T 2 289 ? 41.429 32.553 -47.469 1.00 92.83 ? 290 ALA b O 1 +ATOM 30592 C CB . ALA T 2 289 ? 41.912 30.988 -44.572 1.00 67.55 ? 290 ALA b CB 1 +ATOM 30593 N N . SER T 2 290 ? 39.857 31.013 -47.003 1.00 100.71 ? 291 SER b N 1 +ATOM 30594 C CA . SER T 2 290 ? 39.541 30.824 -48.414 1.00 82.91 ? 291 SER b CA 1 +ATOM 30595 C C . SER T 2 290 ? 38.919 32.074 -49.021 1.00 84.29 ? 291 SER b C 1 +ATOM 30596 O O . SER T 2 290 ? 39.174 32.395 -50.186 1.00 84.30 ? 291 SER b O 1 +ATOM 30597 C CB . SER T 2 290 ? 38.601 29.632 -48.589 1.00 70.83 ? 291 SER b CB 1 +ATOM 30598 O OG . SER T 2 290 ? 39.323 28.424 -48.526 1.00 85.63 ? 291 SER b OG 1 +ATOM 30599 N N . LEU T 2 291 ? 38.081 32.778 -48.259 1.00 76.30 ? 292 LEU b N 1 +ATOM 30600 C CA . LEU T 2 291 ? 37.478 33.994 -48.788 1.00 93.36 ? 292 LEU b CA 1 +ATOM 30601 C C . LEU T 2 291 ? 38.518 35.097 -48.938 1.00 101.09 ? 292 LEU b C 1 +ATOM 30602 O O . LEU T 2 291 ? 38.517 35.828 -49.938 1.00 95.45 ? 292 LEU b O 1 +ATOM 30603 C CB . LEU T 2 291 ? 36.330 34.444 -47.884 1.00 72.81 ? 292 LEU b CB 1 +ATOM 30604 C CG . LEU T 2 291 ? 35.087 33.558 -47.951 1.00 72.22 ? 292 LEU b CG 1 +ATOM 30605 C CD1 . LEU T 2 291 ? 33.968 34.134 -47.106 1.00 78.94 ? 292 LEU b CD1 1 +ATOM 30606 C CD2 . LEU T 2 291 ? 34.633 33.387 -49.373 1.00 63.10 ? 292 LEU b CD2 1 +ATOM 30607 N N . ALA T 2 292 ? 39.432 35.198 -47.965 1.00 98.78 ? 293 ALA b N 1 +ATOM 30608 C CA . ALA T 2 292 ? 40.513 36.174 -48.011 1.00 86.90 ? 293 ALA b CA 1 +ATOM 30609 C C . ALA T 2 292 ? 41.371 36.010 -49.257 1.00 87.68 ? 293 ALA b C 1 +ATOM 30610 O O . ALA T 2 292 ? 41.983 36.977 -49.722 1.00 112.40 ? 293 ALA b O 1 +ATOM 30611 C CB . ALA T 2 292 ? 41.379 36.047 -46.755 1.00 78.78 ? 293 ALA b CB 1 +ATOM 30612 N N . SER T 2 293 ? 41.449 34.801 -49.802 1.00 78.64 ? 294 SER b N 1 +ATOM 30613 C CA . SER T 2 293 ? 42.138 34.590 -51.064 1.00 95.16 ? 294 SER b CA 1 +ATOM 30614 C C . SER T 2 293 ? 41.175 34.554 -52.251 1.00 90.52 ? 294 SER b C 1 +ATOM 30615 O O . SER T 2 293 ? 41.485 33.937 -53.277 1.00 94.09 ? 294 SER b O 1 +ATOM 30616 C CB . SER T 2 293 ? 42.982 33.313 -51.008 1.00 83.73 ? 294 SER b CB 1 +ATOM 30617 O OG . SER T 2 293 ? 42.174 32.153 -50.942 1.00 103.30 ? 294 SER b OG 1 +ATOM 30618 N N . GLY T 2 294 ? 40.007 35.181 -52.120 1.00 100.33 ? 295 GLY b N 1 +ATOM 30619 C CA . GLY T 2 294 ? 39.138 35.401 -53.263 1.00 106.55 ? 295 GLY b CA 1 +ATOM 30620 C C . GLY T 2 294 ? 38.384 34.193 -53.778 1.00 100.58 ? 295 GLY b C 1 +ATOM 30621 O O . GLY T 2 294 ? 37.986 34.179 -54.946 1.00 94.26 ? 295 GLY b O 1 +ATOM 30622 N N . ALA T 2 295 ? 38.176 33.176 -52.947 1.00 98.79 ? 296 ALA b N 1 +ATOM 30623 C CA . ALA T 2 295 ? 37.286 32.097 -53.348 1.00 91.82 ? 296 ALA b CA 1 +ATOM 30624 C C . ALA T 2 295 ? 35.837 32.547 -53.198 1.00 65.97 ? 296 ALA b C 1 +ATOM 30625 O O . ALA T 2 295 ? 35.523 33.452 -52.422 1.00 85.20 ? 296 ALA b O 1 +ATOM 30626 C CB . ALA T 2 295 ? 37.546 30.840 -52.512 1.00 81.18 ? 296 ALA b CB 1 +ATOM 30627 N N . THR T 2 296 ? 34.945 31.927 -53.965 1.00 72.18 ? 297 THR b N 1 +ATOM 30628 C CA . THR T 2 296 ? 33.536 32.219 -53.744 1.00 88.06 ? 297 THR b CA 1 +ATOM 30629 C C . THR T 2 296 ? 33.063 31.545 -52.449 1.00 83.45 ? 297 THR b C 1 +ATOM 30630 O O . THR T 2 296 ? 33.788 30.771 -51.818 1.00 74.96 ? 297 THR b O 1 +ATOM 30631 C CB . THR T 2 296 ? 32.686 31.763 -54.933 1.00 71.18 ? 297 THR b CB 1 +ATOM 30632 O OG1 . THR T 2 296 ? 32.606 30.335 -54.956 1.00 82.19 ? 297 THR b OG1 1 +ATOM 30633 C CG2 . THR T 2 296 ? 33.305 32.225 -56.241 1.00 88.79 ? 297 THR b CG2 1 +ATOM 30634 N N . LEU T 2 297 ? 31.831 31.864 -52.047 1.00 72.08 ? 298 LEU b N 1 +ATOM 30635 C CA . LEU T 2 297 ? 31.211 31.173 -50.922 1.00 73.06 ? 298 LEU b CA 1 +ATOM 30636 C C . LEU T 2 297 ? 31.107 29.674 -51.193 1.00 83.09 ? 298 LEU b C 1 +ATOM 30637 O O . LEU T 2 297 ? 31.479 28.852 -50.347 1.00 70.28 ? 298 LEU b O 1 +ATOM 30638 C CB . LEU T 2 297 ? 29.832 31.770 -50.646 1.00 71.88 ? 298 LEU b CB 1 +ATOM 30639 C CG . LEU T 2 297 ? 29.462 32.102 -49.198 1.00 86.00 ? 298 LEU b CG 1 +ATOM 30640 C CD1 . LEU T 2 297 ? 30.676 32.507 -48.367 1.00 70.48 ? 298 LEU b CD1 1 +ATOM 30641 C CD2 . LEU T 2 297 ? 28.406 33.203 -49.183 1.00 75.89 ? 298 LEU b CD2 1 +ATOM 30642 N N . GLU T 2 298 ? 30.634 29.303 -52.388 1.00 72.81 ? 299 GLU b N 1 +ATOM 30643 C CA . GLU T 2 298 ? 30.466 27.891 -52.724 1.00 74.07 ? 299 GLU b CA 1 +ATOM 30644 C C . GLU T 2 298 ? 31.806 27.169 -52.758 1.00 82.44 ? 299 GLU b C 1 +ATOM 30645 O O . GLU T 2 298 ? 31.903 26.003 -52.348 1.00 77.59 ? 299 GLU b O 1 +ATOM 30646 C CB . GLU T 2 298 ? 29.740 27.752 -54.062 1.00 66.29 ? 299 GLU b CB 1 +ATOM 30647 C CG . GLU T 2 298 ? 28.511 28.649 -54.140 1.00 90.16 ? 299 GLU b CG 1 +ATOM 30648 C CD . GLU T 2 298 ? 27.732 28.488 -55.426 1.00 117.81 ? 299 GLU b CD 1 +ATOM 30649 O OE1 . GLU T 2 298 ? 28.074 27.582 -56.222 1.00 117.18 ? 299 GLU b OE1 1 +ATOM 30650 O OE2 . GLU T 2 298 ? 26.780 29.279 -55.641 1.00 129.49 ? 299 GLU b OE2 1 +ATOM 30651 N N . GLU T 2 299 ? 32.853 27.848 -53.227 1.00 73.99 ? 300 GLU b N 1 +ATOM 30652 C CA . GLU T 2 299 ? 34.179 27.241 -53.246 1.00 83.71 ? 300 GLU b CA 1 +ATOM 30653 C C . GLU T 2 299 ? 34.740 27.072 -51.841 1.00 63.53 ? 300 GLU b C 1 +ATOM 30654 O O . GLU T 2 299 ? 35.420 26.083 -51.559 1.00 68.50 ? 300 GLU b O 1 +ATOM 30655 C CB . GLU T 2 299 ? 35.136 28.087 -54.083 1.00 86.43 ? 300 GLU b CB 1 +ATOM 30656 C CG . GLU T 2 299 ? 34.822 28.123 -55.561 1.00 105.90 ? 300 GLU b CG 1 +ATOM 30657 C CD . GLU T 2 299 ? 35.655 29.162 -56.315 1.00 102.09 ? 300 GLU b CD 1 +ATOM 30658 O OE1 . GLU T 2 299 ? 36.141 30.138 -55.692 1.00 87.35 ? 300 GLU b OE1 1 +ATOM 30659 O OE2 . GLU T 2 299 ? 35.823 28.991 -57.538 1.00 126.24 ? 300 GLU b OE2 1 +ATOM 30660 N N . ALA T 2 300 ? 34.499 28.044 -50.958 1.00 69.76 ? 301 ALA b N 1 +ATOM 30661 C CA . ALA T 2 300 ? 35.158 28.043 -49.659 1.00 69.68 ? 301 ALA b CA 1 +ATOM 30662 C C . ALA T 2 300 ? 34.535 27.009 -48.734 1.00 82.78 ? 301 ALA b C 1 +ATOM 30663 O O . ALA T 2 300 ? 35.246 26.322 -47.992 1.00 65.21 ? 301 ALA b O 1 +ATOM 30664 C CB . ALA T 2 300 ? 35.095 29.433 -49.031 1.00 63.63 ? 301 ALA b CB 1 +ATOM 30665 N N . TRP T 2 301 ? 33.209 26.873 -48.795 1.00 66.37 ? 302 TRP b N 1 +ATOM 30666 C CA . TRP T 2 301 ? 32.525 25.848 -48.025 1.00 72.53 ? 302 TRP b CA 1 +ATOM 30667 C C . TRP T 2 301 ? 32.753 24.457 -48.613 1.00 75.92 ? 302 TRP b C 1 +ATOM 30668 O O . TRP T 2 301 ? 32.879 23.484 -47.862 1.00 60.04 ? 302 TRP b O 1 +ATOM 30669 C CB . TRP T 2 301 ? 31.035 26.188 -47.934 1.00 66.61 ? 302 TRP b CB 1 +ATOM 30670 C CG . TRP T 2 301 ? 30.763 27.169 -46.832 1.00 71.91 ? 302 TRP b CG 1 +ATOM 30671 C CD1 . TRP T 2 301 ? 30.491 28.506 -46.951 1.00 70.72 ? 302 TRP b CD1 1 +ATOM 30672 C CD2 . TRP T 2 301 ? 30.785 26.889 -45.429 1.00 69.18 ? 302 TRP b CD2 1 +ATOM 30673 N NE1 . TRP T 2 301 ? 30.321 29.068 -45.703 1.00 66.30 ? 302 TRP b NE1 1 +ATOM 30674 C CE2 . TRP T 2 301 ? 30.503 28.097 -44.754 1.00 68.03 ? 302 TRP b CE2 1 +ATOM 30675 C CE3 . TRP T 2 301 ? 31.012 25.732 -44.679 1.00 60.51 ? 302 TRP b CE3 1 +ATOM 30676 C CZ2 . TRP T 2 301 ? 30.436 28.179 -43.365 1.00 65.62 ? 302 TRP b CZ2 1 +ATOM 30677 C CZ3 . TRP T 2 301 ? 30.939 25.817 -43.298 1.00 67.55 ? 302 TRP b CZ3 1 +ATOM 30678 C CH2 . TRP T 2 301 ? 30.656 27.031 -42.657 1.00 65.23 ? 302 TRP b CH2 1 +ATOM 30679 N N . SER T 2 302 ? 32.834 24.338 -49.947 1.00 66.76 ? 303 SER b N 1 +ATOM 30680 C CA . SER T 2 302 ? 33.045 23.024 -50.559 1.00 60.80 ? 303 SER b CA 1 +ATOM 30681 C C . SER T 2 302 ? 34.402 22.437 -50.213 1.00 59.13 ? 303 SER b C 1 +ATOM 30682 O O . SER T 2 302 ? 34.594 21.233 -50.366 1.00 69.35 ? 303 SER b O 1 +ATOM 30683 C CB . SER T 2 302 ? 32.926 23.088 -52.089 1.00 60.61 ? 303 SER b CB 1 +ATOM 30684 O OG . SER T 2 302 ? 31.642 23.520 -52.518 1.00 64.81 ? 303 SER b OG 1 +ATOM 30685 N N . ALA T 2 303 ? 35.356 23.257 -49.784 1.00 71.28 ? 304 ALA b N 1 +ATOM 30686 C CA . ALA T 2 303 ? 36.668 22.765 -49.391 1.00 64.03 ? 304 ALA b CA 1 +ATOM 30687 C C . ALA T 2 303 ? 36.709 22.267 -47.951 1.00 71.34 ? 304 ALA b C 1 +ATOM 30688 O O . ALA T 2 303 ? 37.738 21.718 -47.535 1.00 65.99 ? 304 ALA b O 1 +ATOM 30689 C CB . ALA T 2 303 ? 37.712 23.866 -49.583 1.00 63.33 ? 304 ALA b CB 1 +ATOM 30690 N N . ILE T 2 304 ? 35.647 22.477 -47.176 1.00 61.38 ? 305 ILE b N 1 +ATOM 30691 C CA . ILE T 2 304 ? 35.544 21.931 -45.820 1.00 65.28 ? 305 ILE b CA 1 +ATOM 30692 C C . ILE T 2 304 ? 35.378 20.414 -45.889 1.00 62.72 ? 305 ILE b C 1 +ATOM 30693 O O . ILE T 2 304 ? 34.378 19.919 -46.437 1.00 67.68 ? 305 ILE b O 1 +ATOM 30694 C CB . ILE T 2 304 ? 34.380 22.577 -45.053 1.00 62.70 ? 305 ILE b CB 1 +ATOM 30695 C CG1 . ILE T 2 304 ? 34.614 24.087 -44.944 1.00 63.21 ? 305 ILE b CG1 1 +ATOM 30696 C CG2 . ILE T 2 304 ? 34.216 21.942 -43.674 1.00 59.05 ? 305 ILE b CG2 1 +ATOM 30697 C CD1 . ILE T 2 304 ? 35.874 24.437 -44.195 1.00 62.58 ? 305 ILE b CD1 1 +ATOM 30698 N N . PRO T 2 305 ? 36.325 19.640 -45.360 1.00 61.04 ? 306 PRO b N 1 +ATOM 30699 C CA . PRO T 2 305 ? 36.178 18.175 -45.371 1.00 62.96 ? 306 PRO b CA 1 +ATOM 30700 C C . PRO T 2 305 ? 34.925 17.738 -44.622 1.00 58.14 ? 306 PRO b C 1 +ATOM 30701 O O . PRO T 2 305 ? 34.581 18.302 -43.579 1.00 58.77 ? 306 PRO b O 1 +ATOM 30702 C CB . PRO T 2 305 ? 37.447 17.676 -44.663 1.00 58.92 ? 306 PRO b CB 1 +ATOM 30703 C CG . PRO T 2 305 ? 38.340 18.865 -44.518 1.00 63.53 ? 306 PRO b CG 1 +ATOM 30704 C CD . PRO T 2 305 ? 37.484 20.091 -44.576 1.00 57.26 ? 306 PRO b CD 1 +ATOM 30705 N N . GLU T 2 306 ? 34.248 16.718 -45.168 1.00 63.15 ? 307 GLU b N 1 +ATOM 30706 C CA . GLU T 2 306 ? 33.038 16.184 -44.540 1.00 62.05 ? 307 GLU b CA 1 +ATOM 30707 C C . GLU T 2 306 ? 33.312 15.698 -43.120 1.00 56.61 ? 307 GLU b C 1 +ATOM 30708 O O . GLU T 2 306 ? 32.453 15.831 -42.243 1.00 60.32 ? 307 GLU b O 1 +ATOM 30709 C CB . GLU T 2 306 ? 32.451 15.037 -45.375 1.00 59.48 ? 307 GLU b CB 1 +ATOM 30710 C CG . GLU T 2 306 ? 31.479 15.466 -46.484 1.00 79.14 ? 307 GLU b CG 1 +ATOM 30711 C CD . GLU T 2 306 ? 30.686 14.291 -47.077 1.00 91.52 ? 307 GLU b CD 1 +ATOM 30712 O OE1 . GLU T 2 306 ? 31.284 13.213 -47.307 1.00 88.41 ? 307 GLU b OE1 1 +ATOM 30713 O OE2 . GLU T 2 306 ? 29.460 14.445 -47.306 1.00 71.21 ? 307 GLU b OE2 1 +ATOM 30714 N N . LYS T 2 307 ? 34.497 15.114 -42.884 1.00 51.39 ? 308 LYS b N 1 +ATOM 30715 C CA . LYS T 2 307 ? 34.857 14.613 -41.561 1.00 52.75 ? 308 LYS b CA 1 +ATOM 30716 C C . LYS T 2 307 ? 34.878 15.739 -40.531 1.00 59.29 ? 308 LYS b C 1 +ATOM 30717 O O . LYS T 2 307 ? 34.421 15.570 -39.390 1.00 53.51 ? 308 LYS b O 1 +ATOM 30718 C CB . LYS T 2 307 ? 36.215 13.919 -41.647 1.00 53.24 ? 308 LYS b CB 1 +ATOM 30719 C CG . LYS T 2 307 ? 36.707 13.301 -40.361 1.00 62.91 ? 308 LYS b CG 1 +ATOM 30720 C CD . LYS T 2 307 ? 37.929 12.421 -40.646 1.00 55.71 ? 308 LYS b CD 1 +ATOM 30721 C CE . LYS T 2 307 ? 38.248 11.523 -39.470 1.00 56.35 ? 308 LYS b CE 1 +ATOM 30722 N NZ . LYS T 2 307 ? 39.520 10.765 -39.679 1.00 51.05 ? 308 LYS b NZ 1 +ATOM 30723 N N . LEU T 2 308 ? 35.387 16.908 -40.929 1.00 71.29 ? 309 LEU b N 1 +ATOM 30724 C CA . LEU T 2 308 ? 35.432 18.049 -40.028 1.00 54.92 ? 309 LEU b CA 1 +ATOM 30725 C C . LEU T 2 308 ? 34.032 18.574 -39.749 1.00 58.25 ? 309 LEU b C 1 +ATOM 30726 O O . LEU T 2 308 ? 33.693 18.870 -38.595 1.00 56.14 ? 309 LEU b O 1 +ATOM 30727 C CB . LEU T 2 308 ? 36.313 19.138 -40.628 1.00 51.36 ? 309 LEU b CB 1 +ATOM 30728 C CG . LEU T 2 308 ? 36.445 20.395 -39.774 1.00 57.92 ? 309 LEU b CG 1 +ATOM 30729 C CD1 . LEU T 2 308 ? 36.946 20.039 -38.369 1.00 54.27 ? 309 LEU b CD1 1 +ATOM 30730 C CD2 . LEU T 2 308 ? 37.363 21.393 -40.452 1.00 56.89 ? 309 LEU b CD2 1 +ATOM 30731 N N . ALA T 2 309 ? 33.203 18.678 -40.793 1.00 53.01 ? 310 ALA b N 1 +ATOM 30732 C CA . ALA T 2 309 ? 31.823 19.113 -40.609 1.00 56.53 ? 310 ALA b CA 1 +ATOM 30733 C C . ALA T 2 309 ? 31.067 18.177 -39.675 1.00 64.85 ? 310 ALA b C 1 +ATOM 30734 O O . ALA T 2 309 ? 30.226 18.630 -38.887 1.00 55.05 ? 310 ALA b O 1 +ATOM 30735 C CB . ALA T 2 309 ? 31.108 19.190 -41.958 1.00 54.07 ? 310 ALA b CB 1 +ATOM 30736 N N . PHE T 2 310 ? 31.357 16.863 -39.754 1.00 50.46 ? 311 PHE b N 1 +ATOM 30737 C CA . PHE T 2 310 ? 30.616 15.869 -38.993 1.00 51.76 ? 311 PHE b CA 1 +ATOM 30738 C C . PHE T 2 310 ? 30.875 15.997 -37.496 1.00 58.00 ? 311 PHE b C 1 +ATOM 30739 O O . PHE T 2 310 ? 29.973 15.733 -36.686 1.00 51.66 ? 311 PHE b O 1 +ATOM 30740 C CB . PHE T 2 310 ? 30.975 14.468 -39.501 1.00 53.09 ? 311 PHE b CB 1 +ATOM 30741 C CG . PHE T 2 310 ? 30.032 13.366 -39.038 1.00 53.21 ? 311 PHE b CG 1 +ATOM 30742 C CD1 . PHE T 2 310 ? 28.652 13.503 -39.157 1.00 51.03 ? 311 PHE b CD1 1 +ATOM 30743 C CD2 . PHE T 2 310 ? 30.538 12.175 -38.527 1.00 50.66 ? 311 PHE b CD2 1 +ATOM 30744 C CE1 . PHE T 2 310 ? 27.792 12.474 -38.747 1.00 48.62 ? 311 PHE b CE1 1 +ATOM 30745 C CE2 . PHE T 2 310 ? 29.684 11.125 -38.132 1.00 50.76 ? 311 PHE b CE2 1 +ATOM 30746 C CZ . PHE T 2 310 ? 28.311 11.276 -38.241 1.00 46.89 ? 311 PHE b CZ 1 +ATOM 30747 N N . TYR T 2 311 ? 32.084 16.416 -37.105 1.00 54.82 ? 312 TYR b N 1 +ATOM 30748 C CA . TYR T 2 311 ? 32.345 16.700 -35.695 1.00 50.98 ? 312 TYR b CA 1 +ATOM 30749 C C . TYR T 2 311 ? 31.503 17.857 -35.170 1.00 55.57 ? 312 TYR b C 1 +ATOM 30750 O O . TYR T 2 311 ? 31.265 17.948 -33.954 1.00 56.00 ? 312 TYR b O 1 +ATOM 30751 C CB . TYR T 2 311 ? 33.820 17.021 -35.489 1.00 49.66 ? 312 TYR b CB 1 +ATOM 30752 C CG . TYR T 2 311 ? 34.766 15.854 -35.580 1.00 50.15 ? 312 TYR b CG 1 +ATOM 30753 C CD1 . TYR T 2 311 ? 34.490 14.644 -34.943 1.00 57.74 ? 312 TYR b CD1 1 +ATOM 30754 C CD2 . TYR T 2 311 ? 35.943 15.952 -36.304 1.00 55.04 ? 312 TYR b CD2 1 +ATOM 30755 C CE1 . TYR T 2 311 ? 35.367 13.577 -35.018 1.00 47.79 ? 312 TYR b CE1 1 +ATOM 30756 C CE2 . TYR T 2 311 ? 36.836 14.867 -36.390 1.00 51.34 ? 312 TYR b CE2 1 +ATOM 30757 C CZ . TYR T 2 311 ? 36.538 13.698 -35.737 1.00 50.34 ? 312 TYR b CZ 1 +ATOM 30758 O OH . TYR T 2 311 ? 37.414 12.647 -35.811 1.00 55.35 ? 312 TYR b OH 1 +ATOM 30759 N N . ASP T 2 312 ? 31.058 18.743 -36.050 1.00 52.18 ? 313 ASP b N 1 +ATOM 30760 C CA . ASP T 2 312 ? 30.338 19.944 -35.634 1.00 54.15 ? 313 ASP b CA 1 +ATOM 30761 C C . ASP T 2 312 ? 28.837 19.702 -35.650 1.00 52.97 ? 313 ASP b C 1 +ATOM 30762 O O . ASP T 2 312 ? 28.055 20.493 -36.190 1.00 56.13 ? 313 ASP b O 1 +ATOM 30763 C CB . ASP T 2 312 ? 30.711 21.125 -36.530 1.00 50.14 ? 313 ASP b CB 1 +ATOM 30764 C CG . ASP T 2 312 ? 30.307 22.470 -35.924 1.00 58.00 ? 313 ASP b CG 1 +ATOM 30765 O OD1 . ASP T 2 312 ? 30.287 22.598 -34.671 1.00 53.90 ? 313 ASP b OD1 1 +ATOM 30766 O OD2 . ASP T 2 312 ? 29.979 23.390 -36.692 1.00 57.18 ? 313 ASP b OD2 1 +ATOM 30767 N N . TYR T 2 313 ? 28.432 18.586 -35.050 1.00 51.42 ? 314 TYR b N 1 +ATOM 30768 C CA . TYR T 2 313 ? 27.049 18.135 -35.077 1.00 46.46 ? 314 TYR b CA 1 +ATOM 30769 C C . TYR T 2 313 ? 26.741 17.536 -33.713 1.00 51.90 ? 314 TYR b C 1 +ATOM 30770 O O . TYR T 2 313 ? 27.524 16.735 -33.193 1.00 48.41 ? 314 TYR b O 1 +ATOM 30771 C CB . TYR T 2 313 ? 26.830 17.123 -36.233 1.00 52.23 ? 314 TYR b CB 1 +ATOM 30772 C CG . TYR T 2 313 ? 25.603 16.231 -36.110 1.00 50.17 ? 314 TYR b CG 1 +ATOM 30773 C CD1 . TYR T 2 313 ? 24.319 16.772 -36.131 1.00 44.09 ? 314 TYR b CD1 1 +ATOM 30774 C CD2 . TYR T 2 313 ? 25.735 14.851 -35.980 1.00 50.08 ? 314 TYR b CD2 1 +ATOM 30775 C CE1 . TYR T 2 313 ? 23.197 15.968 -36.017 1.00 44.45 ? 314 TYR b CE1 1 +ATOM 30776 C CE2 . TYR T 2 313 ? 24.603 14.023 -35.877 1.00 51.79 ? 314 TYR b CE2 1 +ATOM 30777 C CZ . TYR T 2 313 ? 23.334 14.606 -35.888 1.00 50.34 ? 314 TYR b CZ 1 +ATOM 30778 O OH . TYR T 2 313 ? 22.202 13.832 -35.771 1.00 51.84 ? 314 TYR b OH 1 +ATOM 30779 N N . ILE T 2 314 ? 25.619 17.951 -33.123 1.00 48.81 ? 315 ILE b N 1 +ATOM 30780 C CA . ILE T 2 314 ? 25.365 17.625 -31.730 1.00 49.85 ? 315 ILE b CA 1 +ATOM 30781 C C . ILE T 2 314 ? 25.026 16.148 -31.560 1.00 55.43 ? 315 ILE b C 1 +ATOM 30782 O O . ILE T 2 314 ? 25.162 15.605 -30.450 1.00 50.12 ? 315 ILE b O 1 +ATOM 30783 C CB . ILE T 2 314 ? 24.248 18.530 -31.153 1.00 54.43 ? 315 ILE b CB 1 +ATOM 30784 C CG1 . ILE T 2 314 ? 24.453 18.741 -29.651 1.00 46.81 ? 315 ILE b CG1 1 +ATOM 30785 C CG2 . ILE T 2 314 ? 22.845 17.948 -31.447 1.00 48.59 ? 315 ILE b CG2 1 +ATOM 30786 C CD1 . ILE T 2 314 ? 23.313 19.497 -28.987 1.00 50.63 ? 315 ILE b CD1 1 +ATOM 30787 N N . GLY T 2 315 ? 24.616 15.479 -32.641 1.00 46.04 ? 316 GLY b N 1 +ATOM 30788 C CA . GLY T 2 315 ? 24.412 14.049 -32.602 1.00 43.19 ? 316 GLY b CA 1 +ATOM 30789 C C . GLY T 2 315 ? 25.663 13.246 -32.289 1.00 51.25 ? 316 GLY b C 1 +ATOM 30790 O O . GLY T 2 315 ? 25.545 12.063 -31.956 1.00 54.51 ? 316 GLY b O 1 +ATOM 30791 N N . ASN T 2 316 ? 26.847 13.843 -32.382 1.00 51.32 ? 317 ASN b N 1 +ATOM 30792 C CA . ASN T 2 316 ? 28.060 13.149 -31.977 1.00 55.70 ? 317 ASN b CA 1 +ATOM 30793 C C . ASN T 2 316 ? 28.568 13.615 -30.617 1.00 51.65 ? 317 ASN b C 1 +ATOM 30794 O O . ASN T 2 316 ? 29.640 13.184 -30.181 1.00 52.41 ? 317 ASN b O 1 +ATOM 30795 C CB . ASN T 2 316 ? 29.126 13.310 -33.052 1.00 50.69 ? 317 ASN b CB 1 +ATOM 30796 C CG . ASN T 2 316 ? 28.707 12.662 -34.343 1.00 59.66 ? 317 ASN b CG 1 +ATOM 30797 O OD1 . ASN T 2 316 ? 28.110 11.583 -34.315 1.00 58.01 ? 317 ASN b OD1 1 +ATOM 30798 N ND2 . ASN T 2 316 ? 28.981 13.317 -35.485 1.00 53.55 ? 317 ASN b ND2 1 +ATOM 30799 N N . ASN T 2 317 ? 27.797 14.451 -29.934 1.00 47.22 ? 318 ASN b N 1 +ATOM 30800 C CA . ASN T 2 317 ? 28.127 14.905 -28.590 1.00 47.23 ? 318 ASN b CA 1 +ATOM 30801 C C . ASN T 2 317 ? 27.760 13.821 -27.573 1.00 52.56 ? 318 ASN b C 1 +ATOM 30802 O O . ASN T 2 317 ? 26.588 13.442 -27.486 1.00 54.96 ? 318 ASN b O 1 +ATOM 30803 C CB . ASN T 2 317 ? 27.370 16.212 -28.317 1.00 45.92 ? 318 ASN b CB 1 +ATOM 30804 C CG . ASN T 2 317 ? 27.598 16.768 -26.910 1.00 48.30 ? 318 ASN b CG 1 +ATOM 30805 O OD1 . ASN T 2 317 ? 28.111 16.083 -26.021 1.00 49.54 ? 318 ASN b OD1 1 +ATOM 30806 N ND2 . ASN T 2 317 ? 27.200 18.036 -26.706 1.00 48.98 ? 318 ASN b ND2 1 +ATOM 30807 N N . PRO T 2 318 ? 28.712 13.316 -26.780 1.00 50.30 ? 319 PRO b N 1 +ATOM 30808 C CA . PRO T 2 318 ? 28.404 12.195 -25.873 1.00 46.96 ? 319 PRO b CA 1 +ATOM 30809 C C . PRO T 2 318 ? 27.424 12.538 -24.758 1.00 46.51 ? 319 PRO b C 1 +ATOM 30810 O O . PRO T 2 318 ? 27.002 11.624 -24.042 1.00 47.46 ? 319 PRO b O 1 +ATOM 30811 C CB . PRO T 2 318 ? 29.778 11.815 -25.294 1.00 46.46 ? 319 PRO b CB 1 +ATOM 30812 C CG . PRO T 2 318 ? 30.629 13.062 -25.472 1.00 53.44 ? 319 PRO b CG 1 +ATOM 30813 C CD . PRO T 2 318 ? 30.123 13.749 -26.695 1.00 55.62 ? 319 PRO b CD 1 +ATOM 30814 N N . ALA T 2 319 ? 27.039 13.801 -24.594 1.00 44.99 ? 320 ALA b N 1 +ATOM 30815 C CA . ALA T 2 319 ? 26.127 14.205 -23.537 1.00 50.21 ? 320 ALA b CA 1 +ATOM 30816 C C . ALA T 2 319 ? 24.699 14.359 -24.033 1.00 47.66 ? 320 ALA b C 1 +ATOM 30817 O O . ALA T 2 319 ? 23.891 15.044 -23.399 1.00 48.74 ? 320 ALA b O 1 +ATOM 30818 C CB . ALA T 2 319 ? 26.600 15.521 -22.894 1.00 48.00 ? 320 ALA b CB 1 +ATOM 30819 N N . LYS T 2 320 ? 24.370 13.759 -25.165 1.00 46.68 ? 321 LYS b N 1 +ATOM 30820 C CA . LYS T 2 320 ? 23.016 13.833 -25.698 1.00 47.41 ? 321 LYS b CA 1 +ATOM 30821 C C . LYS T 2 320 ? 22.273 12.495 -25.621 1.00 52.61 ? 321 LYS b C 1 +ATOM 30822 O O . LYS T 2 320 ? 21.193 12.371 -26.196 1.00 46.42 ? 321 LYS b O 1 +ATOM 30823 C CB . LYS T 2 320 ? 23.066 14.354 -27.137 1.00 50.88 ? 321 LYS b CB 1 +ATOM 30824 C CG . LYS T 2 320 ? 23.362 15.854 -27.226 1.00 52.17 ? 321 LYS b CG 1 +ATOM 30825 C CD . LYS T 2 320 ? 22.216 16.660 -26.636 1.00 49.81 ? 321 LYS b CD 1 +ATOM 30826 C CE . LYS T 2 320 ? 20.906 16.372 -27.348 1.00 46.87 ? 321 LYS b CE 1 +ATOM 30827 N NZ . LYS T 2 320 ? 19.746 17.014 -26.675 1.00 44.13 ? 321 LYS b NZ 1 +ATOM 30828 N N . GLY T 2 321 ? 22.798 11.511 -24.890 1.00 45.22 ? 322 GLY b N 1 +ATOM 30829 C CA . GLY T 2 321 ? 22.197 10.193 -24.823 1.00 48.10 ? 322 GLY b CA 1 +ATOM 30830 C C . GLY T 2 321 ? 21.218 10.004 -23.675 1.00 45.84 ? 322 GLY b C 1 +ATOM 30831 O O . GLY T 2 321 ? 20.739 10.947 -23.044 1.00 43.18 ? 322 GLY b O 1 +ATOM 30832 N N . GLY T 2 322 ? 20.889 8.746 -23.442 1.00 49.55 ? 323 GLY b N 1 +ATOM 30833 C CA . GLY T 2 322 ? 19.974 8.365 -22.378 1.00 45.05 ? 323 GLY b CA 1 +ATOM 30834 C C . GLY T 2 322 ? 20.361 6.993 -21.871 1.00 49.93 ? 323 GLY b C 1 +ATOM 30835 O O . GLY T 2 322 ? 20.903 6.165 -22.618 1.00 49.19 ? 323 GLY b O 1 +ATOM 30836 N N . LEU T 2 323 ? 20.047 6.739 -20.594 1.00 46.75 ? 324 LEU b N 1 +ATOM 30837 C CA . LEU T 2 323 ? 20.546 5.549 -19.902 1.00 45.71 ? 324 LEU b CA 1 +ATOM 30838 C C . LEU T 2 323 ? 20.030 4.263 -20.534 1.00 50.15 ? 324 LEU b C 1 +ATOM 30839 O O . LEU T 2 323 ? 20.776 3.287 -20.666 1.00 49.04 ? 324 LEU b O 1 +ATOM 30840 C CB . LEU T 2 323 ? 20.166 5.610 -18.424 1.00 41.46 ? 324 LEU b CB 1 +ATOM 30841 C CG . LEU T 2 323 ? 20.539 4.404 -17.562 1.00 56.99 ? 324 LEU b CG 1 +ATOM 30842 C CD1 . LEU T 2 323 ? 22.026 4.055 -17.657 1.00 49.69 ? 324 LEU b CD1 1 +ATOM 30843 C CD2 . LEU T 2 323 ? 20.117 4.678 -16.124 1.00 45.43 ? 324 LEU b CD2 1 +ATOM 30844 N N . PHE T 2 324 ? 18.768 4.241 -20.956 1.00 48.03 ? 325 PHE b N 1 +ATOM 30845 C CA . PHE T 2 324 ? 18.194 3.037 -21.554 1.00 45.59 ? 325 PHE b CA 1 +ATOM 30846 C C . PHE T 2 324 ? 17.993 3.145 -23.055 1.00 54.46 ? 325 PHE b C 1 +ATOM 30847 O O . PHE T 2 324 ? 17.250 2.332 -23.623 1.00 46.70 ? 325 PHE b O 1 +ATOM 30848 C CB . PHE T 2 324 ? 16.869 2.696 -20.880 1.00 45.94 ? 325 PHE b CB 1 +ATOM 30849 C CG . PHE T 2 324 ? 17.016 2.340 -19.456 1.00 47.63 ? 325 PHE b CG 1 +ATOM 30850 C CD1 . PHE T 2 324 ? 17.494 1.092 -19.093 1.00 56.87 ? 325 PHE b CD1 1 +ATOM 30851 C CD2 . PHE T 2 324 ? 16.692 3.246 -18.476 1.00 48.15 ? 325 PHE b CD2 1 +ATOM 30852 C CE1 . PHE T 2 324 ? 17.635 0.761 -17.756 1.00 51.11 ? 325 PHE b CE1 1 +ATOM 30853 C CE2 . PHE T 2 324 ? 16.822 2.917 -17.152 1.00 48.68 ? 325 PHE b CE2 1 +ATOM 30854 C CZ . PHE T 2 324 ? 17.308 1.677 -16.800 1.00 44.65 ? 325 PHE b CZ 1 +ATOM 30855 N N . ARG T 2 325 ? 18.619 4.132 -23.707 1.00 47.60 ? 326 ARG b N 1 +ATOM 30856 C CA . ARG T 2 325 ? 18.675 4.188 -25.167 1.00 46.65 ? 326 ARG b CA 1 +ATOM 30857 C C . ARG T 2 325 ? 19.879 3.358 -25.592 1.00 45.25 ? 326 ARG b C 1 +ATOM 30858 O O . ARG T 2 325 ? 21.015 3.838 -25.602 1.00 50.81 ? 326 ARG b O 1 +ATOM 30859 C CB . ARG T 2 325 ? 18.779 5.631 -25.659 1.00 47.18 ? 326 ARG b CB 1 +ATOM 30860 C CG . ARG T 2 325 ? 17.686 6.560 -25.156 1.00 48.19 ? 326 ARG b CG 1 +ATOM 30861 C CD . ARG T 2 325 ? 17.890 7.952 -25.716 1.00 43.23 ? 326 ARG b CD 1 +ATOM 30862 N NE . ARG T 2 325 ? 16.929 8.941 -25.246 1.00 43.35 ? 326 ARG b NE 1 +ATOM 30863 C CZ . ARG T 2 325 ? 17.126 10.249 -25.341 1.00 48.56 ? 326 ARG b CZ 1 +ATOM 30864 N NH1 . ARG T 2 325 ? 18.239 10.732 -25.870 1.00 43.65 ? 326 ARG b NH1 1 +ATOM 30865 N NH2 . ARG T 2 325 ? 16.192 11.089 -24.887 1.00 37.58 ? 326 ARG b NH2 1 +ATOM 30866 N N . THR T 2 326 ? 19.636 2.119 -25.967 1.00 49.65 ? 327 THR b N 1 +ATOM 30867 C CA . THR T 2 326 ? 20.722 1.167 -26.131 1.00 47.95 ? 327 THR b CA 1 +ATOM 30868 C C . THR T 2 326 ? 21.235 1.128 -27.574 1.00 44.73 ? 327 THR b C 1 +ATOM 30869 O O . THR T 2 326 ? 20.566 1.541 -28.521 1.00 46.68 ? 327 THR b O 1 +ATOM 30870 C CB . THR T 2 326 ? 20.262 -0.222 -25.683 1.00 51.65 ? 327 THR b CB 1 +ATOM 30871 O OG1 . THR T 2 326 ? 19.209 -0.661 -26.539 1.00 50.78 ? 327 THR b OG1 1 +ATOM 30872 C CG2 . THR T 2 326 ? 19.716 -0.158 -24.237 1.00 51.08 ? 327 THR b CG2 1 +ATOM 30873 N N . GLY T 2 327 ? 22.453 0.617 -27.721 1.00 47.10 ? 328 GLY b N 1 +ATOM 30874 C CA . GLY T 2 327 ? 22.991 0.301 -29.015 1.00 44.75 ? 328 GLY b CA 1 +ATOM 30875 C C . GLY T 2 327 ? 23.896 1.384 -29.569 1.00 53.37 ? 328 GLY b C 1 +ATOM 30876 O O . GLY T 2 327 ? 24.317 2.313 -28.871 1.00 49.24 ? 328 GLY b O 1 +ATOM 30877 N N . PRO T 2 328 ? 24.239 1.258 -30.842 1.00 50.80 ? 329 PRO b N 1 +ATOM 30878 C CA . PRO T 2 328 ? 25.114 2.248 -31.474 1.00 44.94 ? 329 PRO b CA 1 +ATOM 30879 C C . PRO T 2 328 ? 24.387 3.560 -31.721 1.00 56.83 ? 329 PRO b C 1 +ATOM 30880 O O . PRO T 2 328 ? 23.152 3.626 -31.794 1.00 44.91 ? 329 PRO b O 1 +ATOM 30881 C CB . PRO T 2 328 ? 25.504 1.581 -32.804 1.00 45.01 ? 329 PRO b CB 1 +ATOM 30882 C CG . PRO T 2 328 ? 24.415 0.614 -33.082 1.00 49.72 ? 329 PRO b CG 1 +ATOM 30883 C CD . PRO T 2 328 ? 23.927 0.122 -31.731 1.00 45.98 ? 329 PRO b CD 1 +ATOM 30884 N N . MET T 2 329 ? 25.190 4.622 -31.877 1.00 44.81 ? 330 MET b N 1 +ATOM 30885 C CA . MET T 2 329 ? 24.632 5.916 -32.255 1.00 48.62 ? 330 MET b CA 1 +ATOM 30886 C C . MET T 2 329 ? 23.850 5.845 -33.562 1.00 45.06 ? 330 MET b C 1 +ATOM 30887 O O . MET T 2 329 ? 22.845 6.553 -33.714 1.00 46.39 ? 330 MET b O 1 +ATOM 30888 C CB . MET T 2 329 ? 25.744 6.957 -32.351 1.00 48.89 ? 330 MET b CB 1 +ATOM 30889 C CG . MET T 2 329 ? 26.424 7.211 -31.014 1.00 53.20 ? 330 MET b CG 1 +ATOM 30890 S SD . MET T 2 329 ? 27.955 8.120 -31.188 1.00 54.57 ? 330 MET b SD 1 +ATOM 30891 C CE . MET T 2 329 ? 27.380 9.749 -30.795 1.00 44.94 ? 330 MET b CE 1 +ATOM 30892 N N . ASN T 2 330 ? 24.281 4.997 -34.505 1.00 45.54 ? 331 ASN b N 1 +ATOM 30893 C CA . ASN T 2 330 ? 23.539 4.814 -35.760 1.00 50.18 ? 331 ASN b CA 1 +ATOM 30894 C C . ASN T 2 330 ? 22.090 4.378 -35.535 1.00 49.92 ? 331 ASN b C 1 +ATOM 30895 O O . ASN T 2 330 ? 21.245 4.586 -36.409 1.00 52.91 ? 331 ASN b O 1 +ATOM 30896 C CB . ASN T 2 330 ? 24.250 3.783 -36.654 1.00 41.21 ? 331 ASN b CB 1 +ATOM 30897 C CG . ASN T 2 330 ? 25.557 4.305 -37.206 1.00 50.41 ? 331 ASN b CG 1 +ATOM 30898 O OD1 . ASN T 2 330 ? 25.754 5.523 -37.317 1.00 46.83 ? 331 ASN b OD1 1 +ATOM 30899 N ND2 . ASN T 2 330 ? 26.461 3.398 -37.544 1.00 43.30 ? 331 ASN b ND2 1 +ATOM 30900 N N . LYS T 2 331 ? 21.784 3.773 -34.391 1.00 48.23 ? 332 LYS b N 1 +ATOM 30901 C CA . LYS T 2 331 ? 20.416 3.382 -34.099 1.00 50.62 ? 332 LYS b CA 1 +ATOM 30902 C C . LYS T 2 331 ? 19.526 4.586 -33.810 1.00 47.15 ? 332 LYS b C 1 +ATOM 30903 O O . LYS T 2 331 ? 18.294 4.473 -33.888 1.00 53.79 ? 332 LYS b O 1 +ATOM 30904 C CB . LYS T 2 331 ? 20.433 2.402 -32.922 1.00 50.92 ? 332 LYS b CB 1 +ATOM 30905 C CG . LYS T 2 331 ? 19.102 1.833 -32.514 1.00 61.73 ? 332 LYS b CG 1 +ATOM 30906 C CD . LYS T 2 331 ? 18.475 0.959 -33.583 1.00 53.66 ? 332 LYS b CD 1 +ATOM 30907 C CE . LYS T 2 331 ? 17.020 0.773 -33.185 1.00 60.19 ? 332 LYS b CE 1 +ATOM 30908 N NZ . LYS T 2 331 ? 16.214 0.063 -34.192 1.00 68.51 ? 332 LYS b NZ 1 +ATOM 30909 N N . GLY T 2 332 ? 20.115 5.736 -33.482 1.00 52.46 ? 333 GLY b N 1 +ATOM 30910 C CA . GLY T 2 332 ? 19.353 6.929 -33.178 1.00 39.86 ? 333 GLY b CA 1 +ATOM 30911 C C . GLY T 2 332 ? 19.101 7.777 -34.408 1.00 49.56 ? 333 GLY b C 1 +ATOM 30912 O O . GLY T 2 332 ? 18.078 7.610 -35.083 1.00 48.36 ? 333 GLY b O 1 +ATOM 30913 N N . ASP T 2 333 ? 20.032 8.688 -34.715 1.00 44.84 ? 334 ASP b N 1 +ATOM 30914 C CA . ASP T 2 333 ? 19.824 9.582 -35.853 1.00 50.45 ? 334 ASP b CA 1 +ATOM 30915 C C . ASP T 2 333 ? 19.979 8.868 -37.196 1.00 48.62 ? 334 ASP b C 1 +ATOM 30916 O O . ASP T 2 333 ? 19.441 9.349 -38.197 1.00 55.67 ? 334 ASP b O 1 +ATOM 30917 C CB . ASP T 2 333 ? 20.756 10.808 -35.771 1.00 47.19 ? 334 ASP b CB 1 +ATOM 30918 C CG . ASP T 2 333 ? 22.213 10.461 -35.452 1.00 53.19 ? 334 ASP b CG 1 +ATOM 30919 O OD1 . ASP T 2 333 ? 22.593 9.271 -35.366 1.00 52.39 ? 334 ASP b OD1 1 +ATOM 30920 O OD2 . ASP T 2 333 ? 23.002 11.417 -35.294 1.00 55.21 ? 334 ASP b OD2 1 +ATOM 30921 N N . GLY T 2 334 ? 20.645 7.717 -37.239 1.00 47.68 ? 335 GLY b N 1 +ATOM 30922 C CA . GLY T 2 334 ? 20.823 6.968 -38.471 1.00 45.26 ? 335 GLY b CA 1 +ATOM 30923 C C . GLY T 2 334 ? 22.289 6.801 -38.828 1.00 48.48 ? 335 GLY b C 1 +ATOM 30924 O O . GLY T 2 334 ? 23.190 7.250 -38.120 1.00 52.84 ? 335 GLY b O 1 +ATOM 30925 N N . ILE T 2 335 ? 22.511 6.140 -39.960 1.00 46.62 ? 336 ILE b N 1 +ATOM 30926 C CA . ILE T 2 335 ? 23.844 6.010 -40.542 1.00 44.69 ? 336 ILE b CA 1 +ATOM 30927 C C . ILE T 2 335 ? 24.090 7.237 -41.415 1.00 50.79 ? 336 ILE b C 1 +ATOM 30928 O O . ILE T 2 335 ? 23.369 7.467 -42.395 1.00 53.62 ? 336 ILE b O 1 +ATOM 30929 C CB . ILE T 2 335 ? 23.973 4.711 -41.358 1.00 47.19 ? 336 ILE b CB 1 +ATOM 30930 C CG1 . ILE T 2 335 ? 23.563 3.489 -40.533 1.00 47.04 ? 336 ILE b CG1 1 +ATOM 30931 C CG2 . ILE T 2 335 ? 25.407 4.531 -41.879 1.00 50.74 ? 336 ILE b CG2 1 +ATOM 30932 C CD1 . ILE T 2 335 ? 23.369 2.226 -41.355 1.00 46.49 ? 336 ILE b CD1 1 +ATOM 30933 N N . ALA T 2 336 ? 25.084 8.046 -41.052 1.00 53.46 ? 337 ALA b N 1 +ATOM 30934 C CA . ALA T 2 336 ? 25.357 9.262 -41.807 1.00 52.78 ? 337 ALA b CA 1 +ATOM 30935 C C . ALA T 2 336 ? 25.790 8.919 -43.231 1.00 60.32 ? 337 ALA b C 1 +ATOM 30936 O O . ALA T 2 336 ? 26.685 8.100 -43.435 1.00 50.79 ? 337 ALA b O 1 +ATOM 30937 C CB . ALA T 2 336 ? 26.440 10.089 -41.118 1.00 49.76 ? 337 ALA b CB 1 +ATOM 30938 N N . GLN T 2 337 ? 25.171 9.569 -44.218 1.00 54.22 ? 338 GLN b N 1 +ATOM 30939 C CA . GLN T 2 337 ? 25.452 9.319 -45.625 1.00 57.66 ? 338 GLN b CA 1 +ATOM 30940 C C . GLN T 2 337 ? 26.257 10.440 -46.272 1.00 62.25 ? 338 GLN b C 1 +ATOM 30941 O O . GLN T 2 337 ? 27.217 10.179 -47.005 1.00 55.21 ? 338 GLN b O 1 +ATOM 30942 C CB . GLN T 2 337 ? 24.134 9.114 -46.393 1.00 49.88 ? 338 GLN b CB 1 +ATOM 30943 C CG . GLN T 2 337 ? 23.354 7.878 -45.973 1.00 54.50 ? 338 GLN b CG 1 +ATOM 30944 C CD . GLN T 2 337 ? 24.088 6.601 -46.296 1.00 70.58 ? 338 GLN b CD 1 +ATOM 30945 O OE1 . GLN T 2 337 ? 24.296 6.284 -47.469 1.00 76.93 ? 338 GLN b OE1 1 +ATOM 30946 N NE2 . GLN T 2 337 ? 24.499 5.859 -45.263 1.00 63.32 ? 338 GLN b NE2 1 +ATOM 30947 N N . ALA T 2 338 ? 25.901 11.693 -46.010 1.00 52.58 ? 339 ALA b N 1 +ATOM 30948 C CA . ALA T 2 338 ? 26.560 12.788 -46.700 1.00 60.71 ? 339 ALA b CA 1 +ATOM 30949 C C . ALA T 2 338 ? 26.262 14.081 -45.969 1.00 54.39 ? 339 ALA b C 1 +ATOM 30950 O O . ALA T 2 338 ? 25.180 14.255 -45.404 1.00 63.21 ? 339 ALA b O 1 +ATOM 30951 C CB . ALA T 2 338 ? 26.105 12.884 -48.162 1.00 49.23 ? 339 ALA b CB 1 +ATOM 30952 N N . TRP T 2 339 ? 27.244 14.973 -45.976 1.00 58.89 ? 340 TRP b N 1 +ATOM 30953 C CA . TRP T 2 339 ? 27.023 16.347 -45.551 1.00 50.84 ? 340 TRP b CA 1 +ATOM 30954 C C . TRP T 2 339 ? 26.145 17.064 -46.567 1.00 59.92 ? 340 TRP b C 1 +ATOM 30955 O O . TRP T 2 339 ? 26.404 17.011 -47.774 1.00 57.64 ? 340 TRP b O 1 +ATOM 30956 C CB . TRP T 2 339 ? 28.359 17.055 -45.417 1.00 48.63 ? 340 TRP b CB 1 +ATOM 30957 C CG . TRP T 2 339 ? 28.318 18.459 -44.943 1.00 58.89 ? 340 TRP b CG 1 +ATOM 30958 C CD1 . TRP T 2 339 ? 27.521 18.991 -43.962 1.00 59.37 ? 340 TRP b CD1 1 +ATOM 30959 C CD2 . TRP T 2 339 ? 29.153 19.525 -45.407 1.00 69.73 ? 340 TRP b CD2 1 +ATOM 30960 N NE1 . TRP T 2 339 ? 27.820 20.337 -43.786 1.00 60.47 ? 340 TRP b NE1 1 +ATOM 30961 C CE2 . TRP T 2 339 ? 28.819 20.681 -44.660 1.00 65.03 ? 340 TRP b CE2 1 +ATOM 30962 C CE3 . TRP T 2 339 ? 30.163 19.611 -46.373 1.00 57.71 ? 340 TRP b CE3 1 +ATOM 30963 C CZ2 . TRP T 2 339 ? 29.444 21.908 -44.868 1.00 62.19 ? 340 TRP b CZ2 1 +ATOM 30964 C CZ3 . TRP T 2 339 ? 30.792 20.827 -46.568 1.00 71.27 ? 340 TRP b CZ3 1 +ATOM 30965 C CH2 . TRP T 2 339 ? 30.428 21.963 -45.820 1.00 62.24 ? 340 TRP b CH2 1 +ATOM 30966 N N . LYS T 2 340 ? 25.096 17.729 -46.084 1.00 58.02 ? 341 LYS b N 1 +ATOM 30967 C CA . LYS T 2 340 ? 24.216 18.434 -47.001 1.00 60.81 ? 341 LYS b CA 1 +ATOM 30968 C C . LYS T 2 340 ? 24.768 19.789 -47.410 1.00 65.02 ? 341 LYS b C 1 +ATOM 30969 O O . LYS T 2 340 ? 24.238 20.394 -48.344 1.00 60.10 ? 341 LYS b O 1 +ATOM 30970 C CB . LYS T 2 340 ? 22.825 18.582 -46.386 1.00 56.77 ? 341 LYS b CB 1 +ATOM 30971 C CG . LYS T 2 340 ? 22.049 17.265 -46.442 1.00 63.08 ? 341 LYS b CG 1 +ATOM 30972 C CD . LYS T 2 340 ? 20.605 17.418 -46.018 1.00 65.92 ? 341 LYS b CD 1 +ATOM 30973 C CE . LYS T 2 340 ? 19.701 16.469 -46.795 1.00 71.35 ? 341 LYS b CE 1 +ATOM 30974 N NZ . LYS T 2 340 ? 18.325 16.458 -46.195 1.00 80.13 ? 341 LYS b NZ 1 +ATOM 30975 N N . GLY T 2 341 ? 25.832 20.248 -46.760 1.00 59.52 ? 342 GLY b N 1 +ATOM 30976 C CA . GLY T 2 341 ? 26.369 21.575 -46.963 1.00 54.51 ? 342 GLY b CA 1 +ATOM 30977 C C . GLY T 2 341 ? 25.961 22.514 -45.849 1.00 64.37 ? 342 GLY b C 1 +ATOM 30978 O O . GLY T 2 341 ? 25.122 22.205 -44.995 1.00 58.90 ? 342 GLY b O 1 +ATOM 30979 N N . HIS T 2 342 ? 26.587 23.687 -45.864 1.00 56.81 ? 343 HIS b N 1 +ATOM 30980 C CA . HIS T 2 342 ? 26.349 24.668 -44.822 1.00 54.85 ? 343 HIS b CA 1 +ATOM 30981 C C . HIS T 2 342 ? 25.130 25.508 -45.194 1.00 62.48 ? 343 HIS b C 1 +ATOM 30982 O O . HIS T 2 342 ? 25.019 26.009 -46.322 1.00 58.71 ? 343 HIS b O 1 +ATOM 30983 C CB . HIS T 2 342 ? 27.580 25.544 -44.626 1.00 53.83 ? 343 HIS b CB 1 +ATOM 30984 C CG . HIS T 2 342 ? 27.401 26.600 -43.585 1.00 67.60 ? 343 HIS b CG 1 +ATOM 30985 N ND1 . HIS T 2 342 ? 27.541 26.348 -42.236 1.00 60.57 ? 343 HIS b ND1 1 +ATOM 30986 C CD2 . HIS T 2 342 ? 27.073 27.910 -43.693 1.00 66.10 ? 343 HIS b CD2 1 +ATOM 30987 C CE1 . HIS T 2 342 ? 27.319 27.461 -41.558 1.00 66.99 ? 343 HIS b CE1 1 +ATOM 30988 N NE2 . HIS T 2 342 ? 27.035 28.424 -42.421 1.00 68.31 ? 343 HIS b NE2 1 +ATOM 30989 N N . ALA T 2 343 ? 24.194 25.614 -44.263 1.00 55.70 ? 344 ALA b N 1 +ATOM 30990 C CA . ALA T 2 343 ? 22.973 26.371 -44.470 1.00 59.22 ? 344 ALA b CA 1 +ATOM 30991 C C . ALA T 2 343 ? 23.211 27.818 -44.058 1.00 63.22 ? 344 ALA b C 1 +ATOM 30992 O O . ALA T 2 343 ? 23.808 28.085 -43.008 1.00 67.73 ? 344 ALA b O 1 +ATOM 30993 C CB . ALA T 2 343 ? 21.821 25.765 -43.669 1.00 64.93 ? 344 ALA b CB 1 +ATOM 30994 N N . VAL T 2 344 ? 22.779 28.747 -44.904 1.00 59.74 ? 345 VAL b N 1 +ATOM 30995 C CA . VAL T 2 344 ? 22.865 30.169 -44.620 1.00 57.13 ? 345 VAL b CA 1 +ATOM 30996 C C . VAL T 2 344 ? 21.452 30.712 -44.695 1.00 60.22 ? 345 VAL b C 1 +ATOM 30997 O O . VAL T 2 344 ? 20.771 30.534 -45.713 1.00 60.70 ? 345 VAL b O 1 +ATOM 30998 C CB . VAL T 2 344 ? 23.797 30.896 -45.603 1.00 61.32 ? 345 VAL b CB 1 +ATOM 30999 C CG1 . VAL T 2 344 ? 23.648 32.395 -45.461 1.00 61.45 ? 345 VAL b CG1 1 +ATOM 31000 C CG2 . VAL T 2 344 ? 25.237 30.480 -45.358 1.00 63.72 ? 345 VAL b CG2 1 +ATOM 31001 N N . PHE T 2 345 ? 20.997 31.333 -43.618 1.00 54.17 ? 346 PHE b N 1 +ATOM 31002 C CA . PHE T 2 345 ? 19.645 31.874 -43.545 1.00 68.79 ? 346 PHE b CA 1 +ATOM 31003 C C . PHE T 2 345 ? 19.690 33.387 -43.725 1.00 60.78 ? 346 PHE b C 1 +ATOM 31004 O O . PHE T 2 345 ? 20.571 34.062 -43.184 1.00 65.00 ? 346 PHE b O 1 +ATOM 31005 C CB . PHE T 2 345 ? 18.963 31.514 -42.209 1.00 61.62 ? 346 PHE b CB 1 +ATOM 31006 C CG . PHE T 2 345 ? 18.803 30.028 -41.988 1.00 58.37 ? 346 PHE b CG 1 +ATOM 31007 C CD1 . PHE T 2 345 ? 19.828 29.286 -41.432 1.00 51.43 ? 346 PHE b CD1 1 +ATOM 31008 C CD2 . PHE T 2 345 ? 17.627 29.383 -42.347 1.00 53.53 ? 346 PHE b CD2 1 +ATOM 31009 C CE1 . PHE T 2 345 ? 19.698 27.906 -41.246 1.00 60.19 ? 346 PHE b CE1 1 +ATOM 31010 C CE2 . PHE T 2 345 ? 17.481 28.015 -42.161 1.00 60.97 ? 346 PHE b CE2 1 +ATOM 31011 C CZ . PHE T 2 345 ? 18.523 27.267 -41.614 1.00 53.73 ? 346 PHE b CZ 1 +ATOM 31012 N N A ARG T 2 346 ? 18.725 33.917 -44.484 0.50 58.09 ? 347 ARG b N 1 +ATOM 31013 N N B ARG T 2 346 ? 18.737 33.907 -44.489 0.50 58.09 ? 347 ARG b N 1 +ATOM 31014 C CA A ARG T 2 346 ? 18.594 35.326 -44.823 0.50 63.49 ? 347 ARG b CA 1 +ATOM 31015 C CA B ARG T 2 346 ? 18.614 35.341 -44.673 0.50 63.40 ? 347 ARG b CA 1 +ATOM 31016 C C A ARG T 2 346 ? 17.138 35.739 -44.664 0.50 58.41 ? 347 ARG b C 1 +ATOM 31017 C C B ARG T 2 346 ? 17.147 35.716 -44.578 0.50 58.30 ? 347 ARG b C 1 +ATOM 31018 O O A ARG T 2 346 ? 16.235 34.940 -44.928 0.50 61.44 ? 347 ARG b O 1 +ATOM 31019 O O B ARG T 2 346 ? 16.265 34.889 -44.824 0.50 61.30 ? 347 ARG b O 1 +ATOM 31020 C CB A ARG T 2 346 ? 19.067 35.602 -46.268 0.50 63.69 ? 347 ARG b CB 1 +ATOM 31021 C CB B ARG T 2 346 ? 19.205 35.793 -46.019 0.50 64.74 ? 347 ARG b CB 1 +ATOM 31022 C CG A ARG T 2 346 ? 20.523 35.220 -46.543 0.50 61.94 ? 347 ARG b CG 1 +ATOM 31023 C CG B ARG T 2 346 ? 20.708 35.565 -46.146 0.50 57.83 ? 347 ARG b CG 1 +ATOM 31024 C CD A ARG T 2 346 ? 20.950 35.501 -47.988 0.50 61.08 ? 347 ARG b CD 1 +ATOM 31025 C CD B ARG T 2 346 ? 21.288 36.260 -47.372 0.50 62.21 ? 347 ARG b CD 1 +ATOM 31026 N NE A ARG T 2 346 ? 22.388 35.317 -48.159 0.50 53.98 ? 347 ARG b NE 1 +ATOM 31027 N NE B ARG T 2 346 ? 22.664 35.846 -47.615 0.50 64.46 ? 347 ARG b NE 1 +ATOM 31028 C CZ A ARG T 2 346 ? 22.952 34.302 -48.796 0.50 47.41 ? 347 ARG b CZ 1 +ATOM 31029 C CZ B ARG T 2 346 ? 23.731 36.450 -47.108 0.50 73.45 ? 347 ARG b CZ 1 +ATOM 31030 N NH1 A ARG T 2 346 ? 22.228 33.386 -49.412 0.50 55.35 ? 347 ARG b NH1 1 +ATOM 31031 N NH1 B ARG T 2 346 ? 23.622 37.531 -46.351 0.50 58.38 ? 347 ARG b NH1 1 +ATOM 31032 N NH2 A ARG T 2 346 ? 24.277 34.208 -48.821 0.50 55.91 ? 347 ARG b NH2 1 +ATOM 31033 N NH2 B ARG T 2 346 ? 24.940 35.956 -47.367 0.50 77.60 ? 347 ARG b NH2 1 +ATOM 31034 N N . ASN T 2 347 ? 16.891 36.962 -44.200 1.00 58.06 ? 348 ASN b N 1 +ATOM 31035 C CA . ASN T 2 347 ? 15.530 37.483 -44.211 1.00 64.30 ? 348 ASN b CA 1 +ATOM 31036 C C . ASN T 2 347 ? 15.288 38.255 -45.513 1.00 77.41 ? 348 ASN b C 1 +ATOM 31037 O O . ASN T 2 347 ? 16.112 38.239 -46.439 1.00 66.18 ? 348 ASN b O 1 +ATOM 31038 C CB . ASN T 2 347 ? 15.234 38.350 -42.985 1.00 62.99 ? 348 ASN b CB 1 +ATOM 31039 C CG . ASN T 2 347 ? 16.134 39.572 -42.878 1.00 66.99 ? 348 ASN b CG 1 +ATOM 31040 O OD1 . ASN T 2 347 ? 16.912 39.897 -43.780 1.00 70.10 ? 348 ASN b OD1 1 +ATOM 31041 N ND2 . ASN T 2 347 ? 16.025 40.258 -41.754 1.00 65.08 ? 348 ASN b ND2 1 +ATOM 31042 N N . LYS T 2 348 ? 14.131 38.924 -45.591 1.00 63.98 ? 349 LYS b N 1 +ATOM 31043 C CA . LYS T 2 348 ? 13.729 39.590 -46.823 1.00 78.28 ? 349 LYS b CA 1 +ATOM 31044 C C . LYS T 2 348 ? 14.634 40.776 -47.138 1.00 67.79 ? 349 LYS b C 1 +ATOM 31045 O O . LYS T 2 348 ? 14.919 41.033 -48.306 1.00 85.96 ? 349 LYS b O 1 +ATOM 31046 C CB . LYS T 2 348 ? 12.265 40.025 -46.732 1.00 65.66 ? 349 LYS b CB 1 +ATOM 31047 C CG . LYS T 2 348 ? 11.968 40.976 -45.584 1.00 76.82 ? 349 LYS b CG 1 +ATOM 31048 C CD . LYS T 2 348 ? 10.514 41.416 -45.576 1.00 87.10 ? 349 LYS b CD 1 +ATOM 31049 C CE . LYS T 2 348 ? 9.591 40.264 -45.951 1.00 91.51 ? 349 LYS b CE 1 +ATOM 31050 N NZ . LYS T 2 348 ? 8.166 40.602 -45.662 1.00 109.70 ? 349 LYS b NZ 1 +ATOM 31051 N N . GLU T 2 349 ? 15.120 41.478 -46.116 1.00 73.76 ? 350 GLU b N 1 +ATOM 31052 C CA . GLU T 2 349 ? 16.154 42.494 -46.266 1.00 67.47 ? 350 GLU b CA 1 +ATOM 31053 C C . GLU T 2 349 ? 17.509 41.946 -46.698 1.00 76.88 ? 350 GLU b C 1 +ATOM 31054 O O . GLU T 2 349 ? 18.428 42.744 -46.894 1.00 85.54 ? 350 GLU b O 1 +ATOM 31055 C CB . GLU T 2 349 ? 16.363 43.239 -44.953 1.00 66.79 ? 350 GLU b CB 1 +ATOM 31056 C CG . GLU T 2 349 ? 15.326 44.291 -44.661 1.00 104.91 ? 350 GLU b CG 1 +ATOM 31057 C CD . GLU T 2 349 ? 13.960 43.693 -44.412 1.00 117.97 ? 350 GLU b CD 1 +ATOM 31058 O OE1 . GLU T 2 349 ? 13.853 42.791 -43.540 1.00 134.94 ? 350 GLU b OE1 1 +ATOM 31059 O OE2 . GLU T 2 349 ? 12.998 44.113 -45.099 1.00 120.71 ? 350 GLU b OE2 1 +ATOM 31060 N N . GLY T 2 350 ? 17.692 40.630 -46.793 1.00 75.32 ? 351 GLY b N 1 +ATOM 31061 C CA . GLY T 2 350 ? 19.009 40.100 -47.122 1.00 75.36 ? 351 GLY b CA 1 +ATOM 31062 C C . GLY T 2 350 ? 20.014 40.085 -45.985 1.00 68.70 ? 351 GLY b C 1 +ATOM 31063 O O . GLY T 2 350 ? 21.198 39.822 -46.226 1.00 75.75 ? 351 GLY b O 1 +ATOM 31064 N N A GLU T 2 351 ? 19.598 40.405 -44.767 0.50 61.92 ? 352 GLU b N 1 +ATOM 31065 N N B GLU T 2 351 ? 19.584 40.338 -44.753 0.50 61.90 ? 352 GLU b N 1 +ATOM 31066 C CA A GLU T 2 351 ? 20.456 40.215 -43.607 0.50 69.52 ? 352 GLU b CA 1 +ATOM 31067 C CA B GLU T 2 351 ? 20.480 40.219 -43.610 0.50 69.55 ? 352 GLU b CA 1 +ATOM 31068 C C A GLU T 2 351 ? 20.699 38.727 -43.391 0.50 71.06 ? 352 GLU b C 1 +ATOM 31069 C C B GLU T 2 351 ? 20.681 38.746 -43.273 0.50 71.10 ? 352 GLU b C 1 +ATOM 31070 O O A GLU T 2 351 ? 19.784 37.907 -43.518 0.50 63.53 ? 352 GLU b O 1 +ATOM 31071 O O B GLU T 2 351 ? 19.721 37.970 -43.240 0.50 65.23 ? 352 GLU b O 1 +ATOM 31072 C CB A GLU T 2 351 ? 19.825 40.823 -42.359 0.50 68.82 ? 352 GLU b CB 1 +ATOM 31073 C CB B GLU T 2 351 ? 19.925 40.982 -42.407 0.50 68.86 ? 352 GLU b CB 1 +ATOM 31074 C CG A GLU T 2 351 ? 19.119 42.150 -42.561 0.50 76.24 ? 352 GLU b CG 1 +ATOM 31075 C CG B GLU T 2 351 ? 20.632 40.695 -41.094 0.50 77.60 ? 352 GLU b CG 1 +ATOM 31076 C CD A GLU T 2 351 ? 18.577 42.689 -41.257 0.50 65.48 ? 352 GLU b CD 1 +ATOM 31077 C CD B GLU T 2 351 ? 21.449 41.866 -40.578 0.50 75.55 ? 352 GLU b CD 1 +ATOM 31078 O OE1 A GLU T 2 351 ? 19.329 42.638 -40.271 0.50 69.91 ? 352 GLU b OE1 1 +ATOM 31079 O OE1 B GLU T 2 351 ? 22.554 42.107 -41.107 0.50 86.82 ? 352 GLU b OE1 1 +ATOM 31080 O OE2 A GLU T 2 351 ? 17.409 43.132 -41.212 0.50 63.60 ? 352 GLU b OE2 1 +ATOM 31081 O OE2 B GLU T 2 351 ? 20.987 42.541 -39.632 0.50 82.17 ? 352 GLU b OE2 1 +ATOM 31082 N N . GLU T 2 352 ? 21.934 38.357 -43.051 1.00 71.24 ? 353 GLU b N 1 +ATOM 31083 C CA . GLU T 2 352 ? 22.232 36.965 -42.724 1.00 64.58 ? 353 GLU b CA 1 +ATOM 31084 C C . GLU T 2 352 ? 21.781 36.667 -41.296 1.00 77.05 ? 353 GLU b C 1 +ATOM 31085 O O . GLU T 2 352 ? 22.022 37.457 -40.378 1.00 63.08 ? 353 GLU b O 1 +ATOM 31086 C CB . GLU T 2 352 ? 23.721 36.659 -42.876 1.00 64.69 ? 353 GLU b CB 1 +ATOM 31087 C CG . GLU T 2 352 ? 24.044 35.163 -42.701 1.00 76.94 ? 353 GLU b CG 1 +ATOM 31088 C CD . GLU T 2 352 ? 25.539 34.832 -42.794 1.00 89.98 ? 353 GLU b CD 1 +ATOM 31089 O OE1 . GLU T 2 352 ? 26.356 35.773 -42.922 1.00 98.53 ? 353 GLU b OE1 1 +ATOM 31090 O OE2 . GLU T 2 352 ? 25.899 33.630 -42.731 1.00 78.93 ? 353 GLU b OE2 1 +ATOM 31091 N N . LEU T 2 353 ? 21.115 35.535 -41.106 1.00 64.53 ? 354 LEU b N 1 +ATOM 31092 C CA . LEU T 2 353 ? 20.621 35.162 -39.789 1.00 66.34 ? 354 LEU b CA 1 +ATOM 31093 C C . LEU T 2 353 ? 21.336 33.912 -39.291 1.00 66.15 ? 354 LEU b C 1 +ATOM 31094 O O . LEU T 2 353 ? 21.846 33.112 -40.075 1.00 65.06 ? 354 LEU b O 1 +ATOM 31095 C CB . LEU T 2 353 ? 19.108 34.936 -39.822 1.00 63.86 ? 354 LEU b CB 1 +ATOM 31096 C CG . LEU T 2 353 ? 18.279 36.142 -40.261 1.00 65.29 ? 354 LEU b CG 1 +ATOM 31097 C CD1 . LEU T 2 353 ? 16.787 35.880 -40.045 1.00 68.14 ? 354 LEU b CD1 1 +ATOM 31098 C CD2 . LEU T 2 353 ? 18.713 37.432 -39.580 1.00 63.55 ? 354 LEU b CD2 1 +ATOM 31099 N N . PHE T 2 354 ? 21.371 33.747 -37.971 1.00 63.10 ? 355 PHE b N 1 +ATOM 31100 C CA . PHE T 2 354 ? 22.077 32.630 -37.355 1.00 60.58 ? 355 PHE b CA 1 +ATOM 31101 C C . PHE T 2 354 ? 21.164 31.898 -36.385 1.00 62.13 ? 355 PHE b C 1 +ATOM 31102 O O . PHE T 2 354 ? 20.596 32.515 -35.470 1.00 55.12 ? 355 PHE b O 1 +ATOM 31103 C CB . PHE T 2 354 ? 23.338 33.107 -36.636 1.00 58.36 ? 355 PHE b CB 1 +ATOM 31104 C CG . PHE T 2 354 ? 24.251 33.891 -37.512 1.00 75.71 ? 355 PHE b CG 1 +ATOM 31105 C CD1 . PHE T 2 354 ? 25.241 33.254 -38.246 1.00 58.39 ? 355 PHE b CD1 1 +ATOM 31106 C CD2 . PHE T 2 354 ? 24.103 35.270 -37.625 1.00 71.12 ? 355 PHE b CD2 1 +ATOM 31107 C CE1 . PHE T 2 354 ? 26.078 33.981 -39.071 1.00 81.59 ? 355 PHE b CE1 1 +ATOM 31108 C CE2 . PHE T 2 354 ? 24.935 36.000 -38.446 1.00 74.75 ? 355 PHE b CE2 1 +ATOM 31109 C CZ . PHE T 2 354 ? 25.926 35.360 -39.166 1.00 62.36 ? 355 PHE b CZ 1 +ATOM 31110 N N . VAL T 2 355 ? 21.042 30.579 -36.584 1.00 59.21 ? 356 VAL b N 1 +ATOM 31111 C CA . VAL T 2 355 ? 20.223 29.750 -35.708 1.00 60.38 ? 356 VAL b CA 1 +ATOM 31112 C C . VAL T 2 355 ? 20.942 29.568 -34.382 1.00 51.66 ? 356 VAL b C 1 +ATOM 31113 O O . VAL T 2 355 ? 22.127 29.207 -34.346 1.00 64.56 ? 356 VAL b O 1 +ATOM 31114 C CB . VAL T 2 355 ? 19.926 28.388 -36.363 1.00 62.13 ? 356 VAL b CB 1 +ATOM 31115 C CG1 . VAL T 2 355 ? 18.986 27.595 -35.488 1.00 52.56 ? 356 VAL b CG1 1 +ATOM 31116 C CG2 . VAL T 2 355 ? 19.309 28.561 -37.737 1.00 56.61 ? 356 VAL b CG2 1 +ATOM 31117 N N . ARG T 2 356 ? 20.232 29.818 -33.286 1.00 50.70 ? 357 ARG b N 1 +ATOM 31118 C CA . ARG T 2 356 ? 20.752 29.534 -31.947 1.00 47.39 ? 357 ARG b CA 1 +ATOM 31119 C C . ARG T 2 356 ? 20.918 28.018 -31.730 1.00 57.88 ? 357 ARG b C 1 +ATOM 31120 O O . ARG T 2 356 ? 19.942 27.261 -31.794 1.00 50.91 ? 357 ARG b O 1 +ATOM 31121 C CB . ARG T 2 356 ? 19.797 30.122 -30.916 1.00 58.03 ? 357 ARG b CB 1 +ATOM 31122 C CG . ARG T 2 356 ? 20.253 29.954 -29.485 1.00 75.64 ? 357 ARG b CG 1 +ATOM 31123 C CD . ARG T 2 356 ? 21.665 30.429 -29.335 1.00 59.99 ? 357 ARG b CD 1 +ATOM 31124 N NE . ARG T 2 356 ? 21.975 30.740 -27.950 1.00 74.20 ? 357 ARG b NE 1 +ATOM 31125 C CZ . ARG T 2 356 ? 22.576 29.908 -27.116 1.00 77.30 ? 357 ARG b CZ 1 +ATOM 31126 N NH1 . ARG T 2 356 ? 22.836 28.649 -27.459 1.00 77.89 ? 357 ARG b NH1 1 +ATOM 31127 N NH2 . ARG T 2 356 ? 22.943 30.351 -25.917 1.00 65.99 ? 357 ARG b NH2 1 +ATOM 31128 N N . ARG T 2 357 ? 22.146 27.564 -31.478 1.00 51.09 ? 358 ARG b N 1 +ATOM 31129 C CA . ARG T 2 357 ? 22.397 26.132 -31.370 1.00 50.02 ? 358 ARG b CA 1 +ATOM 31130 C C . ARG T 2 357 ? 21.853 25.547 -30.063 1.00 53.28 ? 358 ARG b C 1 +ATOM 31131 O O . ARG T 2 357 ? 21.766 26.224 -29.027 1.00 56.07 ? 358 ARG b O 1 +ATOM 31132 C CB . ARG T 2 357 ? 23.893 25.843 -31.484 1.00 55.89 ? 358 ARG b CB 1 +ATOM 31133 C CG . ARG T 2 357 ? 24.385 25.737 -32.918 1.00 50.60 ? 358 ARG b CG 1 +ATOM 31134 C CD . ARG T 2 357 ? 25.910 25.656 -32.999 1.00 56.86 ? 358 ARG b CD 1 +ATOM 31135 N NE . ARG T 2 357 ? 26.344 25.376 -34.369 1.00 58.40 ? 358 ARG b NE 1 +ATOM 31136 C CZ . ARG T 2 357 ? 27.471 24.750 -34.690 1.00 62.49 ? 358 ARG b CZ 1 +ATOM 31137 N NH1 . ARG T 2 357 ? 28.298 24.295 -33.757 1.00 54.28 ? 358 ARG b NH1 1 +ATOM 31138 N NH2 . ARG T 2 357 ? 27.776 24.575 -35.979 1.00 54.24 ? 358 ARG b NH2 1 +ATOM 31139 N N . MET T 2 358 ? 21.488 24.265 -30.127 1.00 52.29 ? 359 MET b N 1 +ATOM 31140 C CA . MET T 2 358 ? 20.988 23.549 -28.949 1.00 48.85 ? 359 MET b CA 1 +ATOM 31141 C C . MET T 2 358 ? 22.110 23.335 -27.939 1.00 45.97 ? 359 MET b C 1 +ATOM 31142 O O . MET T 2 358 ? 23.165 22.793 -28.304 1.00 50.91 ? 359 MET b O 1 +ATOM 31143 C CB . MET T 2 358 ? 20.399 22.194 -29.380 1.00 50.41 ? 359 MET b CB 1 +ATOM 31144 C CG . MET T 2 358 ? 20.106 21.219 -28.234 1.00 46.66 ? 359 MET b CG 1 +ATOM 31145 S SD . MET T 2 358 ? 19.418 19.640 -28.799 1.00 50.58 ? 359 MET b SD 1 +ATOM 31146 C CE . MET T 2 358 ? 17.649 19.971 -28.664 1.00 45.14 ? 359 MET b CE 1 +ATOM 31147 N N . PRO T 2 359 ? 21.937 23.752 -26.680 1.00 43.60 ? 360 PRO b N 1 +ATOM 31148 C CA . PRO T 2 359 ? 22.859 23.327 -25.612 1.00 48.38 ? 360 PRO b CA 1 +ATOM 31149 C C . PRO T 2 359 ? 22.579 21.888 -25.183 1.00 56.89 ? 360 PRO b C 1 +ATOM 31150 O O . PRO T 2 359 ? 21.441 21.419 -25.230 1.00 47.98 ? 360 PRO b O 1 +ATOM 31151 C CB . PRO T 2 359 ? 22.562 24.309 -24.456 1.00 48.01 ? 360 PRO b CB 1 +ATOM 31152 C CG . PRO T 2 359 ? 21.606 25.374 -25.040 1.00 52.06 ? 360 PRO b CG 1 +ATOM 31153 C CD . PRO T 2 359 ? 20.891 24.656 -26.172 1.00 49.31 ? 360 PRO b CD 1 +ATOM 31154 N N . ALA T 2 360 ? 23.640 21.194 -24.734 1.00 45.78 ? 361 ALA b N 1 +ATOM 31155 C CA . ALA T 2 360 ? 23.523 19.768 -24.437 1.00 52.22 ? 361 ALA b CA 1 +ATOM 31156 C C . ALA T 2 360 ? 22.511 19.473 -23.332 1.00 47.55 ? 361 ALA b C 1 +ATOM 31157 O O . ALA T 2 360 ? 21.996 18.359 -23.272 1.00 52.26 ? 361 ALA b O 1 +ATOM 31158 C CB . ALA T 2 360 ? 24.889 19.174 -24.055 1.00 45.92 ? 361 ALA b CB 1 +ATOM 31159 N N . PHE T 2 361 ? 22.211 20.438 -22.466 1.00 49.67 ? 362 PHE b N 1 +ATOM 31160 C CA . PHE T 2 361 ? 21.279 20.201 -21.367 1.00 50.42 ? 362 PHE b CA 1 +ATOM 31161 C C . PHE T 2 361 ? 19.861 19.884 -21.855 1.00 49.31 ? 362 PHE b C 1 +ATOM 31162 O O . PHE T 2 361 ? 19.114 19.186 -21.158 1.00 48.56 ? 362 PHE b O 1 +ATOM 31163 C CB . PHE T 2 361 ? 21.245 21.430 -20.451 1.00 50.22 ? 362 PHE b CB 1 +ATOM 31164 C CG . PHE T 2 361 ? 21.955 21.243 -19.137 1.00 51.85 ? 362 PHE b CG 1 +ATOM 31165 C CD1 . PHE T 2 361 ? 21.738 20.117 -18.363 1.00 57.88 ? 362 PHE b CD1 1 +ATOM 31166 C CD2 . PHE T 2 361 ? 22.842 22.204 -18.673 1.00 52.47 ? 362 PHE b CD2 1 +ATOM 31167 C CE1 . PHE T 2 361 ? 22.390 19.957 -17.145 1.00 54.94 ? 362 PHE b CE1 1 +ATOM 31168 C CE2 . PHE T 2 361 ? 23.510 22.048 -17.458 1.00 50.01 ? 362 PHE b CE2 1 +ATOM 31169 C CZ . PHE T 2 361 ? 23.280 20.940 -16.694 1.00 52.75 ? 362 PHE b CZ 1 +ATOM 31170 N N . PHE T 2 362 ? 19.480 20.374 -23.037 1.00 41.42 ? 363 PHE b N 1 +ATOM 31171 C CA . PHE T 2 362 ? 18.082 20.437 -23.475 1.00 62.34 ? 363 PHE b CA 1 +ATOM 31172 C C . PHE T 2 362 ? 17.714 19.246 -24.368 1.00 47.34 ? 363 PHE b C 1 +ATOM 31173 O O . PHE T 2 362 ? 18.319 19.061 -25.427 1.00 52.38 ? 363 PHE b O 1 +ATOM 31174 C CB . PHE T 2 362 ? 17.819 21.734 -24.252 1.00 42.54 ? 363 PHE b CB 1 +ATOM 31175 C CG . PHE T 2 362 ? 17.842 22.979 -23.411 1.00 52.87 ? 363 PHE b CG 1 +ATOM 31176 C CD1 . PHE T 2 362 ? 19.048 23.506 -22.956 1.00 43.45 ? 363 PHE b CD1 1 +ATOM 31177 C CD2 . PHE T 2 362 ? 16.661 23.660 -23.129 1.00 42.57 ? 363 PHE b CD2 1 +ATOM 31178 C CE1 . PHE T 2 362 ? 19.070 24.668 -22.203 1.00 51.99 ? 363 PHE b CE1 1 +ATOM 31179 C CE2 . PHE T 2 362 ? 16.680 24.823 -22.361 1.00 54.21 ? 363 PHE b CE2 1 +ATOM 31180 C CZ . PHE T 2 362 ? 17.885 25.330 -21.902 1.00 46.78 ? 363 PHE b CZ 1 +ATOM 31181 N N . GLU T 2 363 ? 16.681 18.485 -23.973 1.00 54.56 ? 364 GLU b N 1 +ATOM 31182 C CA . GLU T 2 363 ? 16.159 17.426 -24.848 1.00 48.97 ? 364 GLU b CA 1 +ATOM 31183 C C . GLU T 2 363 ? 15.474 18.020 -26.068 1.00 50.65 ? 364 GLU b C 1 +ATOM 31184 O O . GLU T 2 363 ? 15.477 17.410 -27.144 1.00 50.06 ? 364 GLU b O 1 +ATOM 31185 C CB . GLU T 2 363 ? 15.163 16.519 -24.096 1.00 45.37 ? 364 GLU b CB 1 +ATOM 31186 C CG . GLU T 2 363 ? 15.769 15.643 -22.975 1.00 39.75 ? 364 GLU b CG 1 +ATOM 31187 C CD . GLU T 2 363 ? 16.598 14.472 -23.505 1.00 49.83 ? 364 GLU b CD 1 +ATOM 31188 O OE1 . GLU T 2 363 ? 16.464 14.089 -24.696 1.00 49.30 ? 364 GLU b OE1 1 +ATOM 31189 O OE2 . GLU T 2 363 ? 17.397 13.929 -22.725 1.00 52.15 ? 364 GLU b OE2 1 +ATOM 31190 N N . SER T 2 364 ? 14.878 19.199 -25.908 1.00 50.67 ? 365 SER b N 1 +ATOM 31191 C CA . SER T 2 364 ? 14.219 19.924 -26.978 1.00 54.15 ? 365 SER b CA 1 +ATOM 31192 C C . SER T 2 364 ? 14.603 21.393 -26.827 1.00 56.01 ? 365 SER b C 1 +ATOM 31193 O O . SER T 2 364 ? 15.041 21.822 -25.758 1.00 53.96 ? 365 SER b O 1 +ATOM 31194 C CB . SER T 2 364 ? 12.694 19.737 -26.926 1.00 42.51 ? 365 SER b CB 1 +ATOM 31195 O OG . SER T 2 364 ? 12.150 20.462 -25.845 1.00 49.56 ? 365 SER b OG 1 +ATOM 31196 N N . PHE T 2 365 ? 14.438 22.170 -27.907 1.00 59.15 ? 366 PHE b N 1 +ATOM 31197 C CA . PHE T 2 365 ? 14.912 23.555 -27.924 1.00 52.14 ? 366 PHE b CA 1 +ATOM 31198 C C . PHE T 2 365 ? 14.142 24.342 -28.969 1.00 46.07 ? 366 PHE b C 1 +ATOM 31199 O O . PHE T 2 365 ? 13.935 23.822 -30.072 1.00 51.93 ? 366 PHE b O 1 +ATOM 31200 C CB . PHE T 2 365 ? 16.413 23.610 -28.225 1.00 45.63 ? 366 PHE b CB 1 +ATOM 31201 C CG . PHE T 2 365 ? 17.073 24.882 -27.765 1.00 52.40 ? 366 PHE b CG 1 +ATOM 31202 C CD1 . PHE T 2 365 ? 17.239 25.140 -26.405 1.00 50.91 ? 366 PHE b CD1 1 +ATOM 31203 C CD2 . PHE T 2 365 ? 17.530 25.824 -28.687 1.00 58.69 ? 366 PHE b CD2 1 +ATOM 31204 C CE1 . PHE T 2 365 ? 17.842 26.314 -25.970 1.00 53.20 ? 366 PHE b CE1 1 +ATOM 31205 C CE2 . PHE T 2 365 ? 18.141 27.003 -28.255 1.00 48.41 ? 366 PHE b CE2 1 +ATOM 31206 C CZ . PHE T 2 365 ? 18.290 27.244 -26.895 1.00 57.28 ? 366 PHE b CZ 1 +ATOM 31207 N N . PRO T 2 366 ? 13.713 25.572 -28.682 1.00 51.56 ? 367 PRO b N 1 +ATOM 31208 C CA . PRO T 2 366 ? 13.024 26.374 -29.706 1.00 51.89 ? 367 PRO b CA 1 +ATOM 31209 C C . PRO T 2 366 ? 13.981 26.783 -30.820 1.00 61.27 ? 367 PRO b C 1 +ATOM 31210 O O . PRO T 2 366 ? 15.203 26.681 -30.698 1.00 55.55 ? 367 PRO b O 1 +ATOM 31211 C CB . PRO T 2 366 ? 12.496 27.593 -28.942 1.00 45.97 ? 367 PRO b CB 1 +ATOM 31212 C CG . PRO T 2 366 ? 13.333 27.682 -27.723 1.00 50.72 ? 367 PRO b CG 1 +ATOM 31213 C CD . PRO T 2 366 ? 13.869 26.302 -27.410 1.00 54.08 ? 367 PRO b CD 1 +ATOM 31214 N N . VAL T 2 367 ? 13.395 27.223 -31.935 1.00 57.47 ? 368 VAL b N 1 +ATOM 31215 C CA . VAL T 2 367 ? 14.136 27.663 -33.112 1.00 52.22 ? 368 VAL b CA 1 +ATOM 31216 C C . VAL T 2 367 ? 14.121 29.187 -33.140 1.00 59.75 ? 368 VAL b C 1 +ATOM 31217 O O . VAL T 2 367 ? 13.074 29.811 -33.343 1.00 52.61 ? 368 VAL b O 1 +ATOM 31218 C CB . VAL T 2 367 ? 13.542 27.087 -34.402 1.00 60.52 ? 368 VAL b CB 1 +ATOM 31219 C CG1 . VAL T 2 367 ? 14.310 27.630 -35.619 1.00 55.69 ? 368 VAL b CG1 1 +ATOM 31220 C CG2 . VAL T 2 367 ? 13.583 25.564 -34.367 1.00 52.91 ? 368 VAL b CG2 1 +ATOM 31221 N N . ILE T 2 368 ? 15.290 29.791 -32.955 1.00 53.82 ? 369 ILE b N 1 +ATOM 31222 C CA . ILE T 2 368 ? 15.442 31.235 -32.853 1.00 49.70 ? 369 ILE b CA 1 +ATOM 31223 C C . ILE T 2 368 ? 16.639 31.627 -33.699 1.00 60.56 ? 369 ILE b C 1 +ATOM 31224 O O . ILE T 2 368 ? 17.706 31.000 -33.604 1.00 54.32 ? 369 ILE b O 1 +ATOM 31225 C CB . ILE T 2 368 ? 15.628 31.673 -31.386 1.00 64.91 ? 369 ILE b CB 1 +ATOM 31226 C CG1 . ILE T 2 368 ? 14.370 31.336 -30.579 1.00 58.09 ? 369 ILE b CG1 1 +ATOM 31227 C CG2 . ILE T 2 368 ? 15.932 33.179 -31.261 1.00 58.36 ? 369 ILE b CG2 1 +ATOM 31228 C CD1 . ILE T 2 368 ? 14.633 31.161 -29.176 1.00 52.86 ? 369 ILE b CD1 1 +ATOM 31229 N N . LEU T 2 369 ? 16.450 32.646 -34.542 1.00 54.57 ? 370 LEU b N 1 +ATOM 31230 C CA . LEU T 2 369 ? 17.483 33.174 -35.427 1.00 58.56 ? 370 LEU b CA 1 +ATOM 31231 C C . LEU T 2 369 ? 17.771 34.618 -35.045 1.00 57.61 ? 370 LEU b C 1 +ATOM 31232 O O . LEU T 2 369 ? 16.847 35.431 -34.932 1.00 58.05 ? 370 LEU b O 1 +ATOM 31233 C CB . LEU T 2 369 ? 17.054 33.090 -36.900 1.00 56.96 ? 370 LEU b CB 1 +ATOM 31234 C CG . LEU T 2 369 ? 17.046 31.706 -37.562 1.00 61.48 ? 370 LEU b CG 1 +ATOM 31235 C CD1 . LEU T 2 369 ? 15.891 30.831 -37.057 1.00 48.44 ? 370 LEU b CD1 1 +ATOM 31236 C CD2 . LEU T 2 369 ? 16.995 31.841 -39.085 1.00 55.95 ? 370 LEU b CD2 1 +ATOM 31237 N N . THR T 2 370 ? 19.047 34.923 -34.829 1.00 64.90 ? 371 THR b N 1 +ATOM 31238 C CA . THR T 2 370 ? 19.512 36.261 -34.512 1.00 57.34 ? 371 THR b CA 1 +ATOM 31239 C C . THR T 2 370 ? 20.339 36.830 -35.661 1.00 69.58 ? 371 THR b C 1 +ATOM 31240 O O . THR T 2 370 ? 20.852 36.095 -36.515 1.00 62.77 ? 371 THR b O 1 +ATOM 31241 C CB . THR T 2 370 ? 20.362 36.274 -33.229 1.00 65.64 ? 371 THR b CB 1 +ATOM 31242 O OG1 . THR T 2 370 ? 21.524 35.450 -33.417 1.00 66.65 ? 371 THR b OG1 1 +ATOM 31243 C CG2 . THR T 2 370 ? 19.557 35.762 -32.046 1.00 59.53 ? 371 THR b CG2 1 +ATOM 31244 N N . ASP T 2 371 ? 20.481 38.162 -35.673 1.00 64.43 ? 372 ASP b N 1 +ATOM 31245 C CA . ASP T 2 371 ? 21.483 38.736 -36.557 1.00 75.76 ? 372 ASP b CA 1 +ATOM 31246 C C . ASP T 2 371 ? 22.860 38.611 -35.911 1.00 72.66 ? 372 ASP b C 1 +ATOM 31247 O O . ASP T 2 371 ? 23.017 38.052 -34.821 1.00 72.34 ? 372 ASP b O 1 +ATOM 31248 C CB . ASP T 2 371 ? 21.141 40.181 -36.933 1.00 78.47 ? 372 ASP b CB 1 +ATOM 31249 C CG . ASP T 2 371 ? 21.098 41.132 -35.745 1.00 80.75 ? 372 ASP b CG 1 +ATOM 31250 O OD1 . ASP T 2 371 ? 21.797 40.921 -34.722 1.00 77.25 ? 372 ASP b OD1 1 +ATOM 31251 O OD2 . ASP T 2 371 ? 20.335 42.115 -35.859 1.00 80.31 ? 372 ASP b OD2 1 +ATOM 31252 N N . LYS T 2 372 ? 23.879 39.129 -36.602 1.00 84.13 ? 373 LYS b N 1 +ATOM 31253 C CA . LYS T 2 372 ? 25.248 39.016 -36.110 1.00 90.35 ? 373 LYS b CA 1 +ATOM 31254 C C . LYS T 2 372 ? 25.425 39.643 -34.729 1.00 89.25 ? 373 LYS b C 1 +ATOM 31255 O O . LYS T 2 372 ? 26.355 39.269 -34.006 1.00 85.61 ? 373 LYS b O 1 +ATOM 31256 C CB . LYS T 2 372 ? 26.216 39.647 -37.120 1.00 95.20 ? 373 LYS b CB 1 +ATOM 31257 C CG . LYS T 2 372 ? 25.911 41.105 -37.470 1.00 109.60 ? 373 LYS b CG 1 +ATOM 31258 C CD . LYS T 2 372 ? 26.366 41.447 -38.900 1.00 141.70 ? 373 LYS b CD 1 +ATOM 31259 C CE . LYS T 2 372 ? 25.809 42.798 -39.375 1.00 119.24 ? 373 LYS b CE 1 +ATOM 31260 N NZ . LYS T 2 372 ? 25.862 42.971 -40.859 1.00 107.20 ? 373 LYS b NZ 1 +ATOM 31261 N N . ASN T 2 373 ? 24.539 40.560 -34.331 1.00 89.50 ? 374 ASN b N 1 +ATOM 31262 C CA . ASN T 2 373 ? 24.620 41.224 -33.035 1.00 99.73 ? 374 ASN b CA 1 +ATOM 31263 C C . ASN T 2 373 ? 23.861 40.492 -31.933 1.00 97.74 ? 374 ASN b C 1 +ATOM 31264 O O . ASN T 2 373 ? 23.766 41.011 -30.814 1.00 104.80 ? 374 ASN b O 1 +ATOM 31265 C CB . ASN T 2 373 ? 24.092 42.657 -33.142 1.00 101.88 ? 374 ASN b CB 1 +ATOM 31266 C CG . ASN T 2 373 ? 24.766 43.437 -34.243 1.00 98.34 ? 374 ASN b CG 1 +ATOM 31267 O OD1 . ASN T 2 373 ? 25.991 43.553 -34.270 1.00 90.76 ? 374 ASN b OD1 1 +ATOM 31268 N ND2 . ASN T 2 373 ? 23.971 43.952 -35.179 1.00 96.45 ? 374 ASN b ND2 1 +ATOM 31269 N N . GLY T 2 374 ? 23.311 39.316 -32.214 1.00 86.35 ? 375 GLY b N 1 +ATOM 31270 C CA . GLY T 2 374 ? 22.535 38.617 -31.208 1.00 78.42 ? 375 GLY b CA 1 +ATOM 31271 C C . GLY T 2 374 ? 21.107 39.090 -31.053 1.00 65.72 ? 375 GLY b C 1 +ATOM 31272 O O . GLY T 2 374 ? 20.425 38.654 -30.119 1.00 80.12 ? 375 GLY b O 1 +ATOM 31273 N N . VAL T 2 375 ? 20.629 39.953 -31.936 1.00 69.95 ? 376 VAL b N 1 +ATOM 31274 C CA . VAL T 2 375 ? 19.266 40.467 -31.878 1.00 76.06 ? 376 VAL b CA 1 +ATOM 31275 C C . VAL T 2 375 ? 18.347 39.481 -32.591 1.00 71.84 ? 376 VAL b C 1 +ATOM 31276 O O . VAL T 2 375 ? 18.651 39.033 -33.702 1.00 63.41 ? 376 VAL b O 1 +ATOM 31277 C CB . VAL T 2 375 ? 19.195 41.875 -32.508 1.00 84.30 ? 376 VAL b CB 1 +ATOM 31278 C CG1 . VAL T 2 375 ? 17.759 42.319 -32.745 1.00 66.04 ? 376 VAL b CG1 1 +ATOM 31279 C CG2 . VAL T 2 375 ? 19.916 42.879 -31.609 1.00 76.12 ? 376 VAL b CG2 1 +ATOM 31280 N N . VAL T 2 376 ? 17.226 39.135 -31.955 1.00 61.96 ? 377 VAL b N 1 +ATOM 31281 C CA . VAL T 2 376 ? 16.314 38.161 -32.544 1.00 68.32 ? 377 VAL b CA 1 +ATOM 31282 C C . VAL T 2 376 ? 15.647 38.755 -33.776 1.00 65.50 ? 377 VAL b C 1 +ATOM 31283 O O . VAL T 2 376 ? 15.073 39.847 -33.727 1.00 76.03 ? 377 VAL b O 1 +ATOM 31284 C CB . VAL T 2 376 ? 15.260 37.695 -31.530 1.00 65.81 ? 377 VAL b CB 1 +ATOM 31285 C CG1 . VAL T 2 376 ? 14.274 36.743 -32.213 1.00 59.15 ? 377 VAL b CG1 1 +ATOM 31286 C CG2 . VAL T 2 376 ? 15.920 37.002 -30.367 1.00 55.67 ? 377 VAL b CG2 1 +ATOM 31287 N N . LYS T 2 377 ? 15.696 38.018 -34.883 1.00 63.09 ? 378 LYS b N 1 +ATOM 31288 C CA . LYS T 2 377 ? 15.103 38.440 -36.133 1.00 55.23 ? 378 LYS b CA 1 +ATOM 31289 C C . LYS T 2 377 ? 14.058 37.479 -36.679 1.00 76.39 ? 378 LYS b C 1 +ATOM 31290 O O . LYS T 2 377 ? 13.267 37.886 -37.538 1.00 58.07 ? 378 LYS b O 1 +ATOM 31291 C CB . LYS T 2 377 ? 16.199 38.640 -37.193 1.00 66.60 ? 378 LYS b CB 1 +ATOM 31292 C CG . LYS T 2 377 ? 17.045 39.913 -36.980 1.00 81.14 ? 378 LYS b CG 1 +ATOM 31293 C CD . LYS T 2 377 ? 16.211 41.169 -37.205 1.00 78.29 ? 378 LYS b CD 1 +ATOM 31294 C CE . LYS T 2 377 ? 16.992 42.434 -36.879 1.00 92.20 ? 378 LYS b CE 1 +ATOM 31295 N NZ . LYS T 2 377 ? 17.912 42.850 -37.973 1.00 81.13 ? 378 LYS b NZ 1 +ATOM 31296 N N . ALA T 2 378 ? 14.020 36.227 -36.214 1.00 60.45 ? 379 ALA b N 1 +ATOM 31297 C CA . ALA T 2 378 ? 12.989 35.308 -36.669 1.00 58.92 ? 379 ALA b CA 1 +ATOM 31298 C C . ALA T 2 378 ? 12.938 34.120 -35.724 1.00 60.06 ? 379 ALA b C 1 +ATOM 31299 O O . ALA T 2 378 ? 13.906 33.818 -35.014 1.00 56.12 ? 379 ALA b O 1 +ATOM 31300 C CB . ALA T 2 378 ? 13.232 34.859 -38.123 1.00 48.45 ? 379 ALA b CB 1 +ATOM 31301 N N . ASP T 2 379 ? 11.794 33.443 -35.729 1.00 52.39 ? 380 ASP b N 1 +ATOM 31302 C CA . ASP T 2 379 ? 11.642 32.254 -34.902 1.00 58.02 ? 380 ASP b CA 1 +ATOM 31303 C C . ASP T 2 379 ? 10.487 31.423 -35.440 1.00 59.42 ? 380 ASP b C 1 +ATOM 31304 O O . ASP T 2 379 ? 9.760 31.841 -36.347 1.00 54.91 ? 380 ASP b O 1 +ATOM 31305 C CB . ASP T 2 379 ? 11.442 32.619 -33.422 1.00 52.20 ? 380 ASP b CB 1 +ATOM 31306 C CG . ASP T 2 379 ? 10.200 33.453 -33.176 1.00 54.71 ? 380 ASP b CG 1 +ATOM 31307 O OD1 . ASP T 2 379 ? 9.137 33.188 -33.768 1.00 54.35 ? 380 ASP b OD1 1 +ATOM 31308 O OD2 . ASP T 2 379 ? 10.276 34.375 -32.347 1.00 57.20 ? 380 ASP b OD2 1 +ATOM 31309 N N . ILE T 2 380 ? 10.335 30.226 -34.879 1.00 56.12 ? 381 ILE b N 1 +ATOM 31310 C CA . ILE T 2 380 ? 9.141 29.421 -35.106 1.00 53.54 ? 381 ILE b CA 1 +ATOM 31311 C C . ILE T 2 380 ? 8.228 29.642 -33.906 1.00 53.79 ? 381 ILE b C 1 +ATOM 31312 O O . ILE T 2 380 ? 8.619 29.319 -32.776 1.00 54.84 ? 381 ILE b O 1 +ATOM 31313 C CB . ILE T 2 380 ? 9.463 27.936 -35.324 1.00 57.29 ? 381 ILE b CB 1 +ATOM 31314 C CG1 . ILE T 2 380 ? 10.360 27.778 -36.560 1.00 57.10 ? 381 ILE b CG1 1 +ATOM 31315 C CG2 . ILE T 2 380 ? 8.179 27.159 -35.508 1.00 48.34 ? 381 ILE b CG2 1 +ATOM 31316 C CD1 . ILE T 2 380 ? 10.731 26.331 -36.927 1.00 53.43 ? 381 ILE b CD1 1 +ATOM 31317 N N . PRO T 2 381 ? 7.079 30.268 -34.083 1.00 65.05 ? 382 PRO b N 1 +ATOM 31318 C CA . PRO T 2 381 ? 6.249 30.603 -32.926 1.00 50.37 ? 382 PRO b CA 1 +ATOM 31319 C C . PRO T 2 381 ? 5.469 29.404 -32.422 1.00 59.83 ? 382 PRO b C 1 +ATOM 31320 O O . PRO T 2 381 ? 5.117 28.485 -33.166 1.00 53.92 ? 382 PRO b O 1 +ATOM 31321 C CB . PRO T 2 381 ? 5.290 31.667 -33.472 1.00 56.34 ? 382 PRO b CB 1 +ATOM 31322 C CG . PRO T 2 381 ? 5.221 31.381 -34.973 1.00 47.84 ? 382 PRO b CG 1 +ATOM 31323 C CD . PRO T 2 381 ? 6.585 30.859 -35.344 1.00 48.58 ? 382 PRO b CD 1 +ATOM 31324 N N A PHE T 2 382 ? 5.189 29.443 -31.130 0.40 50.06 ? 383 PHE b N 1 +ATOM 31325 N N B PHE T 2 382 ? 5.208 29.437 -31.117 0.60 49.99 ? 383 PHE b N 1 +ATOM 31326 C CA A PHE T 2 382 ? 4.249 28.525 -30.500 0.40 55.11 ? 383 PHE b CA 1 +ATOM 31327 C CA B PHE T 2 382 ? 4.270 28.516 -30.483 0.60 55.23 ? 383 PHE b CA 1 +ATOM 31328 C C A PHE T 2 382 ? 2.831 29.063 -30.673 0.40 49.33 ? 383 PHE b C 1 +ATOM 31329 C C B PHE T 2 382 ? 2.851 29.056 -30.646 0.60 49.22 ? 383 PHE b C 1 +ATOM 31330 O O A PHE T 2 382 ? 2.049 28.541 -31.469 0.40 58.95 ? 383 PHE b O 1 +ATOM 31331 O O B PHE T 2 382 ? 2.042 28.494 -31.384 0.60 59.20 ? 383 PHE b O 1 +ATOM 31332 C CB A PHE T 2 382 ? 4.626 28.360 -29.020 0.40 48.79 ? 383 PHE b CB 1 +ATOM 31333 C CB B PHE T 2 382 ? 4.652 28.336 -29.006 0.60 48.60 ? 383 PHE b CB 1 +ATOM 31334 C CG A PHE T 2 382 ? 4.026 27.151 -28.354 0.40 51.24 ? 383 PHE b CG 1 +ATOM 31335 C CG B PHE T 2 382 ? 4.040 27.128 -28.345 0.60 51.27 ? 383 PHE b CG 1 +ATOM 31336 C CD1 A PHE T 2 382 ? 2.792 27.226 -27.732 0.40 45.77 ? 383 PHE b CD1 1 +ATOM 31337 C CD1 B PHE T 2 382 ? 2.780 27.195 -27.770 0.60 45.65 ? 383 PHE b CD1 1 +ATOM 31338 C CD2 A PHE T 2 382 ? 4.723 25.949 -28.310 0.40 50.08 ? 383 PHE b CD2 1 +ATOM 31339 C CD2 B PHE T 2 382 ? 4.749 25.939 -28.252 0.60 50.03 ? 383 PHE b CD2 1 +ATOM 31340 C CE1 A PHE T 2 382 ? 2.254 26.118 -27.091 0.40 51.20 ? 383 PHE b CE1 1 +ATOM 31341 C CE1 B PHE T 2 382 ? 2.226 26.090 -27.144 0.60 51.27 ? 383 PHE b CE1 1 +ATOM 31342 C CE2 A PHE T 2 382 ? 4.186 24.826 -27.659 0.40 53.97 ? 383 PHE b CE2 1 +ATOM 31343 C CE2 B PHE T 2 382 ? 4.198 24.822 -27.619 0.60 54.06 ? 383 PHE b CE2 1 +ATOM 31344 C CZ A PHE T 2 382 ? 2.949 24.914 -27.065 0.40 50.15 ? 383 PHE b CZ 1 +ATOM 31345 C CZ B PHE T 2 382 ? 2.934 24.905 -27.065 0.60 50.17 ? 383 PHE b CZ 1 +ATOM 31346 N N A ARG T 2 383 ? 2.490 30.124 -29.947 0.40 50.92 ? 384 ARG b N 1 +ATOM 31347 N N B ARG T 2 383 ? 2.541 30.164 -29.980 0.60 50.90 ? 384 ARG b N 1 +ATOM 31348 C CA A ARG T 2 383 ? 1.229 30.823 -30.166 0.40 59.77 ? 384 ARG b CA 1 +ATOM 31349 C CA B ARG T 2 383 ? 1.264 30.843 -30.180 0.60 59.95 ? 384 ARG b CA 1 +ATOM 31350 C C A ARG T 2 383 ? 1.332 31.668 -31.439 0.40 61.08 ? 384 ARG b C 1 +ATOM 31351 C C B ARG T 2 383 ? 1.339 31.691 -31.447 0.60 61.19 ? 384 ARG b C 1 +ATOM 31352 O O A ARG T 2 383 ? 2.194 32.546 -31.533 0.40 58.59 ? 384 ARG b O 1 +ATOM 31353 O O B ARG T 2 383 ? 2.173 32.598 -31.539 0.60 58.68 ? 384 ARG b O 1 +ATOM 31354 C CB A ARG T 2 383 ? 0.897 31.701 -28.958 0.40 52.04 ? 384 ARG b CB 1 +ATOM 31355 C CB B ARG T 2 383 ? 0.928 31.722 -28.976 0.60 51.92 ? 384 ARG b CB 1 +ATOM 31356 C CG A ARG T 2 383 ? 0.271 30.949 -27.783 0.40 54.38 ? 384 ARG b CG 1 +ATOM 31357 C CG B ARG T 2 383 ? 0.469 30.970 -27.730 0.60 54.26 ? 384 ARG b CG 1 +ATOM 31358 C CD A ARG T 2 383 ? 0.053 31.855 -26.582 0.40 52.60 ? 384 ARG b CD 1 +ATOM 31359 C CD B ARG T 2 383 ? 0.039 31.944 -26.636 0.60 52.62 ? 384 ARG b CD 1 +ATOM 31360 N NE A ARG T 2 383 ? -0.793 31.237 -25.571 0.40 52.97 ? 384 ARG b NE 1 +ATOM 31361 N NE B ARG T 2 383 ? -0.705 31.275 -25.580 0.60 52.99 ? 384 ARG b NE 1 +ATOM 31362 C CZ A ARG T 2 383 ? -1.151 31.819 -24.431 0.40 57.32 ? 384 ARG b CZ 1 +ATOM 31363 C CZ B ARG T 2 383 ? -1.105 31.853 -24.454 0.60 57.48 ? 384 ARG b CZ 1 +ATOM 31364 N NH1 A ARG T 2 383 ? -0.797 33.067 -24.148 0.40 54.13 ? 384 ARG b NH1 1 +ATOM 31365 N NH1 B ARG T 2 383 ? -0.841 33.128 -24.194 0.60 54.09 ? 384 ARG b NH1 1 +ATOM 31366 N NH2 A ARG T 2 383 ? -1.887 31.135 -23.554 0.40 52.16 ? 384 ARG b NH2 1 +ATOM 31367 N NH2 B ARG T 2 383 ? -1.787 31.135 -23.565 0.60 52.16 ? 384 ARG b NH2 1 +ATOM 31368 N N . ARG T 2 384 ? 0.472 31.413 -32.426 1.00 55.93 ? 385 ARG b N 1 +ATOM 31369 C CA . ARG T 2 384 ? 0.573 32.176 -33.669 1.00 58.50 ? 385 ARG b CA 1 +ATOM 31370 C C . ARG T 2 384 ? -0.075 33.558 -33.573 1.00 56.74 ? 385 ARG b C 1 +ATOM 31371 O O . ARG T 2 384 ? 0.396 34.492 -34.226 1.00 58.56 ? 385 ARG b O 1 +ATOM 31372 C CB . ARG T 2 384 ? -0.045 31.418 -34.843 1.00 52.30 ? 385 ARG b CB 1 +ATOM 31373 C CG . ARG T 2 384 ? 0.313 29.934 -34.941 1.00 75.24 ? 385 ARG b CG 1 +ATOM 31374 C CD . ARG T 2 384 ? 1.797 29.644 -34.848 1.00 58.74 ? 385 ARG b CD 1 +ATOM 31375 N NE . ARG T 2 384 ? 2.135 28.459 -35.627 1.00 65.46 ? 385 ARG b NE 1 +ATOM 31376 C CZ . ARG T 2 384 ? 2.089 27.207 -35.187 1.00 63.74 ? 385 ARG b CZ 1 +ATOM 31377 N NH1 . ARG T 2 384 ? 1.745 26.915 -33.940 1.00 53.15 ? 385 ARG b NH1 1 +ATOM 31378 N NH2 . ARG T 2 384 ? 2.409 26.223 -36.014 1.00 59.30 ? 385 ARG b NH2 1 +ATOM 31379 N N . ALA T 2 385 ? -1.117 33.713 -32.747 1.00 64.95 ? 386 ALA b N 1 +ATOM 31380 C CA . ALA T 2 385 ? -1.993 34.884 -32.794 1.00 64.59 ? 386 ALA b CA 1 +ATOM 31381 C C . ALA T 2 385 ? -1.304 36.207 -32.463 1.00 73.58 ? 386 ALA b C 1 +ATOM 31382 O O . ALA T 2 385 ? -1.859 37.269 -32.774 1.00 77.79 ? 386 ALA b O 1 +ATOM 31383 C CB . ALA T 2 385 ? -3.183 34.713 -31.847 1.00 64.72 ? 386 ALA b CB 1 +ATOM 31384 N N . GLU T 2 386 ? -0.134 36.205 -31.844 1.00 67.00 ? 387 GLU b N 1 +ATOM 31385 C CA . GLU T 2 386 ? 0.564 37.481 -31.724 1.00 75.39 ? 387 GLU b CA 1 +ATOM 31386 C C . GLU T 2 386 ? 2.012 37.344 -32.168 1.00 59.98 ? 387 GLU b C 1 +ATOM 31387 O O . GLU T 2 386 ? 2.914 37.970 -31.611 1.00 73.66 ? 387 GLU b O 1 +ATOM 31388 C CB . GLU T 2 386 ? 0.457 38.034 -30.302 1.00 89.78 ? 387 GLU b CB 1 +ATOM 31389 C CG . GLU T 2 386 ? -0.897 38.710 -30.032 1.00 87.91 ? 387 GLU b CG 1 +ATOM 31390 C CD . GLU T 2 386 ? -1.072 39.187 -28.593 1.00 111.85 ? 387 GLU b CD 1 +ATOM 31391 O OE1 . GLU T 2 386 ? -0.057 39.405 -27.884 1.00 124.52 ? 387 GLU b OE1 1 +ATOM 31392 O OE2 . GLU T 2 386 ? -2.239 39.343 -28.169 1.00 111.48 ? 387 GLU b OE2 1 +ATOM 31393 N N . SER T 2 387 ? 2.245 36.503 -33.160 1.00 55.30 ? 388 SER b N 1 +ATOM 31394 C CA . SER T 2 387 ? 3.585 36.319 -33.684 1.00 61.27 ? 388 SER b CA 1 +ATOM 31395 C C . SER T 2 387 ? 4.043 37.570 -34.440 1.00 65.42 ? 388 SER b C 1 +ATOM 31396 O O . SER T 2 387 ? 3.291 38.171 -35.215 1.00 58.09 ? 388 SER b O 1 +ATOM 31397 C CB . SER T 2 387 ? 3.611 35.082 -34.594 1.00 57.43 ? 388 SER b CB 1 +ATOM 31398 O OG . SER T 2 387 ? 4.773 35.043 -35.411 1.00 65.27 ? 388 SER b OG 1 +ATOM 31399 N N . LYS T 2 388 ? 5.285 37.967 -34.201 1.00 56.58 ? 389 LYS b N 1 +ATOM 31400 C CA . LYS T 2 388 ? 5.917 39.016 -34.979 1.00 57.20 ? 389 LYS b CA 1 +ATOM 31401 C C . LYS T 2 388 ? 7.117 38.536 -35.777 1.00 62.61 ? 389 LYS b C 1 +ATOM 31402 O O . LYS T 2 388 ? 7.492 39.201 -36.750 1.00 61.69 ? 389 LYS b O 1 +ATOM 31403 C CB . LYS T 2 388 ? 6.352 40.167 -34.059 1.00 61.34 ? 389 LYS b CB 1 +ATOM 31404 C CG . LYS T 2 388 ? 5.207 40.744 -33.242 1.00 74.91 ? 389 LYS b CG 1 +ATOM 31405 C CD . LYS T 2 388 ? 5.680 41.759 -32.210 1.00 90.45 ? 389 LYS b CD 1 +ATOM 31406 C CE . LYS T 2 388 ? 6.695 41.158 -31.239 1.00 106.34 ? 389 LYS b CE 1 +ATOM 31407 N NZ . LYS T 2 388 ? 7.097 42.141 -30.180 1.00 111.22 ? 389 LYS b NZ 1 +ATOM 31408 N N . TYR T 2 389 ? 7.706 37.388 -35.429 1.00 63.89 ? 390 TYR b N 1 +ATOM 31409 C CA . TYR T 2 389 ? 8.961 36.951 -36.030 1.00 55.28 ? 390 TYR b CA 1 +ATOM 31410 C C . TYR T 2 389 ? 8.832 35.677 -36.852 1.00 56.48 ? 390 TYR b C 1 +ATOM 31411 O O . TYR T 2 389 ? 9.852 35.047 -37.157 1.00 58.80 ? 390 TYR b O 1 +ATOM 31412 C CB . TYR T 2 389 ? 10.023 36.762 -34.951 1.00 57.78 ? 390 TYR b CB 1 +ATOM 31413 C CG . TYR T 2 389 ? 10.288 38.007 -34.143 1.00 63.29 ? 390 TYR b CG 1 +ATOM 31414 C CD1 . TYR T 2 389 ? 10.976 39.088 -34.695 1.00 67.20 ? 390 TYR b CD1 1 +ATOM 31415 C CD2 . TYR T 2 389 ? 9.860 38.101 -32.816 1.00 65.51 ? 390 TYR b CD2 1 +ATOM 31416 C CE1 . TYR T 2 389 ? 11.235 40.225 -33.945 1.00 67.58 ? 390 TYR b CE1 1 +ATOM 31417 C CE2 . TYR T 2 389 ? 10.117 39.234 -32.057 1.00 67.84 ? 390 TYR b CE2 1 +ATOM 31418 C CZ . TYR T 2 389 ? 10.800 40.292 -32.627 1.00 76.42 ? 390 TYR b CZ 1 +ATOM 31419 O OH . TYR T 2 389 ? 11.050 41.413 -31.872 1.00 83.06 ? 390 TYR b OH 1 +ATOM 31420 N N . SER T 2 390 ? 7.616 35.293 -37.236 1.00 54.61 ? 391 SER b N 1 +ATOM 31421 C CA . SER T 2 390 ? 7.449 34.059 -37.996 1.00 52.70 ? 391 SER b CA 1 +ATOM 31422 C C . SER T 2 390 ? 8.258 34.122 -39.284 1.00 64.09 ? 391 SER b C 1 +ATOM 31423 O O . SER T 2 390 ? 8.499 35.199 -39.833 1.00 62.28 ? 391 SER b O 1 +ATOM 31424 C CB . SER T 2 390 ? 5.979 33.819 -38.326 1.00 61.21 ? 391 SER b CB 1 +ATOM 31425 O OG . SER T 2 390 ? 5.575 34.689 -39.375 1.00 60.30 ? 391 SER b OG 1 +ATOM 31426 N N . PHE T 2 391 ? 8.690 32.948 -39.760 1.00 56.86 ? 392 PHE b N 1 +ATOM 31427 C CA . PHE T 2 391 ? 9.427 32.888 -41.017 1.00 62.47 ? 392 PHE b CA 1 +ATOM 31428 C C . PHE T 2 391 ? 8.614 33.469 -42.164 1.00 64.15 ? 392 PHE b C 1 +ATOM 31429 O O . PHE T 2 391 ? 9.187 34.025 -43.108 1.00 62.16 ? 392 PHE b O 1 +ATOM 31430 C CB . PHE T 2 391 ? 9.820 31.446 -41.358 1.00 57.15 ? 392 PHE b CB 1 +ATOM 31431 C CG . PHE T 2 391 ? 11.009 30.933 -40.605 1.00 59.13 ? 392 PHE b CG 1 +ATOM 31432 C CD1 . PHE T 2 391 ? 11.265 31.348 -39.303 1.00 58.98 ? 392 PHE b CD1 1 +ATOM 31433 C CD2 . PHE T 2 391 ? 11.872 30.025 -41.201 1.00 57.12 ? 392 PHE b CD2 1 +ATOM 31434 C CE1 . PHE T 2 391 ? 12.357 30.861 -38.599 1.00 54.94 ? 392 PHE b CE1 1 +ATOM 31435 C CE2 . PHE T 2 391 ? 12.972 29.533 -40.515 1.00 56.64 ? 392 PHE b CE2 1 +ATOM 31436 C CZ . PHE T 2 391 ? 13.211 29.943 -39.205 1.00 58.89 ? 392 PHE b CZ 1 +ATOM 31437 N N . GLU T 2 392 ? 7.286 33.315 -42.116 1.00 59.08 ? 393 GLU b N 1 +ATOM 31438 C CA . GLU T 2 392 ? 6.433 33.857 -43.167 1.00 58.38 ? 393 GLU b CA 1 +ATOM 31439 C C . GLU T 2 392 ? 6.439 35.385 -43.143 1.00 67.48 ? 393 GLU b C 1 +ATOM 31440 O O . GLU T 2 392 ? 6.533 36.027 -44.193 1.00 68.58 ? 393 GLU b O 1 +ATOM 31441 C CB . GLU T 2 392 ? 5.007 33.321 -43.022 1.00 53.24 ? 393 GLU b CB 1 +ATOM 31442 C CG . GLU T 2 392 ? 4.838 31.818 -43.222 1.00 55.74 ? 393 GLU b CG 1 +ATOM 31443 C CD . GLU T 2 392 ? 5.136 30.982 -41.959 1.00 60.42 ? 393 GLU b CD 1 +ATOM 31444 O OE1 . GLU T 2 392 ? 5.662 31.532 -40.960 1.00 56.83 ? 393 GLU b OE1 1 +ATOM 31445 O OE2 . GLU T 2 392 ? 4.839 29.768 -41.972 1.00 57.31 ? 393 GLU b OE2 1 +ATOM 31446 N N . GLN T 2 393 ? 6.360 35.988 -41.955 1.00 59.42 ? 394 GLN b N 1 +ATOM 31447 C CA . GLN T 2 393 ? 6.369 37.445 -41.862 1.00 53.34 ? 394 GLN b CA 1 +ATOM 31448 C C . GLN T 2 393 ? 7.715 38.019 -42.278 1.00 67.05 ? 394 GLN b C 1 +ATOM 31449 O O . GLN T 2 393 ? 7.783 39.113 -42.845 1.00 62.24 ? 394 GLN b O 1 +ATOM 31450 C CB . GLN T 2 393 ? 6.048 37.885 -40.429 1.00 57.24 ? 394 GLN b CB 1 +ATOM 31451 C CG . GLN T 2 393 ? 4.574 37.894 -40.086 1.00 53.43 ? 394 GLN b CG 1 +ATOM 31452 C CD . GLN T 2 393 ? 4.348 37.766 -38.607 1.00 69.11 ? 394 GLN b CD 1 +ATOM 31453 O OE1 . GLN T 2 393 ? 4.925 36.891 -37.956 1.00 61.03 ? 394 GLN b OE1 1 +ATOM 31454 N NE2 . GLN T 2 393 ? 3.523 38.648 -38.053 1.00 56.76 ? 394 GLN b NE2 1 +ATOM 31455 N N . GLN T 2 394 ? 8.801 37.315 -41.972 1.00 65.45 ? 395 GLN b N 1 +ATOM 31456 C CA . GLN T 2 394 ? 10.141 37.852 -42.155 1.00 59.19 ? 395 GLN b CA 1 +ATOM 31457 C C . GLN T 2 394 ? 10.772 37.425 -43.471 1.00 62.85 ? 395 GLN b C 1 +ATOM 31458 O O . GLN T 2 394 ? 11.931 37.768 -43.725 1.00 62.55 ? 395 GLN b O 1 +ATOM 31459 C CB . GLN T 2 394 ? 11.026 37.435 -40.975 1.00 59.64 ? 395 GLN b CB 1 +ATOM 31460 C CG . GLN T 2 394 ? 10.462 37.876 -39.632 1.00 57.56 ? 395 GLN b CG 1 +ATOM 31461 C CD . GLN T 2 394 ? 10.409 39.392 -39.522 1.00 72.80 ? 395 GLN b CD 1 +ATOM 31462 O OE1 . GLN T 2 394 ? 11.267 40.079 -40.065 1.00 67.11 ? 395 GLN b OE1 1 +ATOM 31463 N NE2 . GLN T 2 394 ? 9.404 39.919 -38.828 1.00 66.86 ? 395 GLN b NE2 1 +ATOM 31464 N N . GLY T 2 395 ? 10.035 36.696 -44.311 1.00 66.01 ? 396 GLY b N 1 +ATOM 31465 C CA . GLY T 2 395 ? 10.562 36.136 -45.540 1.00 58.58 ? 396 GLY b CA 1 +ATOM 31466 C C . GLY T 2 395 ? 11.907 35.455 -45.398 1.00 69.60 ? 396 GLY b C 1 +ATOM 31467 O O . GLY T 2 395 ? 12.848 35.813 -46.106 1.00 66.11 ? 396 GLY b O 1 +ATOM 31468 N N . VAL T 2 396 ? 12.023 34.474 -44.492 1.00 62.64 ? 397 VAL b N 1 +ATOM 31469 C CA . VAL T 2 396 ? 13.292 33.779 -44.284 1.00 57.38 ? 397 VAL b CA 1 +ATOM 31470 C C . VAL T 2 396 ? 13.540 32.790 -45.418 1.00 58.71 ? 397 VAL b C 1 +ATOM 31471 O O . VAL T 2 396 ? 12.625 32.090 -45.871 1.00 61.34 ? 397 VAL b O 1 +ATOM 31472 C CB . VAL T 2 396 ? 13.307 33.083 -42.908 1.00 59.20 ? 397 VAL b CB 1 +ATOM 31473 C CG1 . VAL T 2 396 ? 14.634 32.362 -42.679 1.00 58.15 ? 397 VAL b CG1 1 +ATOM 31474 C CG2 . VAL T 2 396 ? 13.051 34.085 -41.802 1.00 52.82 ? 397 VAL b CG2 1 +ATOM 31475 N N . THR T 2 397 ? 14.785 32.724 -45.879 1.00 53.26 ? 398 THR b N 1 +ATOM 31476 C CA . THR T 2 397 ? 15.193 31.765 -46.894 1.00 51.42 ? 398 THR b CA 1 +ATOM 31477 C C . THR T 2 397 ? 16.475 31.085 -46.438 1.00 59.75 ? 398 THR b C 1 +ATOM 31478 O O . THR T 2 397 ? 17.166 31.569 -45.541 1.00 62.94 ? 398 THR b O 1 +ATOM 31479 C CB . THR T 2 397 ? 15.447 32.430 -48.275 1.00 76.19 ? 398 THR b CB 1 +ATOM 31480 O OG1 . THR T 2 397 ? 16.653 33.215 -48.216 1.00 63.12 ? 398 THR b OG1 1 +ATOM 31481 C CG2 . THR T 2 397 ? 14.280 33.341 -48.683 1.00 64.47 ? 398 THR b CG2 1 +ATOM 31482 N N . VAL T 2 398 ? 16.814 29.966 -47.079 1.00 58.95 ? 399 VAL b N 1 +ATOM 31483 C CA . VAL T 2 398 ? 18.042 29.261 -46.753 1.00 58.63 ? 399 VAL b CA 1 +ATOM 31484 C C . VAL T 2 398 ? 18.753 28.878 -48.046 1.00 65.81 ? 399 VAL b C 1 +ATOM 31485 O O . VAL T 2 398 ? 18.134 28.397 -49.004 1.00 61.72 ? 399 VAL b O 1 +ATOM 31486 C CB . VAL T 2 398 ? 17.792 28.028 -45.841 1.00 62.01 ? 399 VAL b CB 1 +ATOM 31487 C CG1 . VAL T 2 398 ? 16.923 26.970 -46.533 1.00 51.74 ? 399 VAL b CG1 1 +ATOM 31488 C CG2 . VAL T 2 398 ? 19.120 27.436 -45.354 1.00 53.42 ? 399 VAL b CG2 1 +ATOM 31489 N N . SER T 2 399 ? 20.062 29.117 -48.066 1.00 55.79 ? 400 SER b N 1 +ATOM 31490 C CA . SER T 2 399 ? 20.945 28.749 -49.161 1.00 66.58 ? 400 SER b CA 1 +ATOM 31491 C C . SER T 2 399 ? 22.020 27.815 -48.634 1.00 63.60 ? 400 SER b C 1 +ATOM 31492 O O . SER T 2 399 ? 22.509 27.990 -47.514 1.00 64.69 ? 400 SER b O 1 +ATOM 31493 C CB . SER T 2 399 ? 21.604 29.998 -49.795 1.00 60.88 ? 400 SER b CB 1 +ATOM 31494 O OG . SER T 2 399 ? 20.613 30.892 -50.253 1.00 66.17 ? 400 SER b OG 1 +ATOM 31495 N N . PHE T 2 400 ? 22.422 26.858 -49.458 1.00 56.38 ? 401 PHE b N 1 +ATOM 31496 C CA . PHE T 2 400 ? 23.402 25.867 -49.062 1.00 58.87 ? 401 PHE b CA 1 +ATOM 31497 C C . PHE T 2 400 ? 24.706 26.081 -49.810 1.00 60.91 ? 401 PHE b C 1 +ATOM 31498 O O . PHE T 2 400 ? 24.703 26.324 -51.016 1.00 68.33 ? 401 PHE b O 1 +ATOM 31499 C CB . PHE T 2 400 ? 22.860 24.449 -49.299 1.00 52.82 ? 401 PHE b CB 1 +ATOM 31500 C CG . PHE T 2 400 ? 21.928 23.983 -48.210 1.00 67.34 ? 401 PHE b CG 1 +ATOM 31501 C CD1 . PHE T 2 400 ? 22.428 23.336 -47.078 1.00 61.33 ? 401 PHE b CD1 1 +ATOM 31502 C CD2 . PHE T 2 400 ? 20.565 24.244 -48.283 1.00 59.80 ? 401 PHE b CD2 1 +ATOM 31503 C CE1 . PHE T 2 400 ? 21.582 22.917 -46.055 1.00 62.93 ? 401 PHE b CE1 1 +ATOM 31504 C CE2 . PHE T 2 400 ? 19.709 23.828 -47.263 1.00 63.71 ? 401 PHE b CE2 1 +ATOM 31505 C CZ . PHE T 2 400 ? 20.220 23.164 -46.146 1.00 60.97 ? 401 PHE b CZ 1 +ATOM 31506 N N . TYR T 2 401 ? 25.818 25.968 -49.090 1.00 62.18 ? 402 TYR b N 1 +ATOM 31507 C CA . TYR T 2 401 ? 27.149 26.066 -49.668 1.00 62.03 ? 402 TYR b CA 1 +ATOM 31508 C C . TYR T 2 401 ? 27.969 24.861 -49.233 1.00 61.20 ? 402 TYR b C 1 +ATOM 31509 O O . TYR T 2 401 ? 28.068 24.575 -48.038 1.00 62.14 ? 402 TYR b O 1 +ATOM 31510 C CB . TYR T 2 401 ? 27.830 27.370 -49.238 1.00 58.96 ? 402 TYR b CB 1 +ATOM 31511 C CG . TYR T 2 401 ? 27.023 28.593 -49.609 1.00 73.95 ? 402 TYR b CG 1 +ATOM 31512 C CD1 . TYR T 2 401 ? 26.157 29.176 -48.696 1.00 70.31 ? 402 TYR b CD1 1 +ATOM 31513 C CD2 . TYR T 2 401 ? 27.107 29.157 -50.885 1.00 74.04 ? 402 TYR b CD2 1 +ATOM 31514 C CE1 . TYR T 2 401 ? 25.404 30.294 -49.026 1.00 69.02 ? 402 TYR b CE1 1 +ATOM 31515 C CE2 . TYR T 2 401 ? 26.352 30.285 -51.223 1.00 70.42 ? 402 TYR b CE2 1 +ATOM 31516 C CZ . TYR T 2 401 ? 25.505 30.846 -50.283 1.00 78.43 ? 402 TYR b CZ 1 +ATOM 31517 O OH . TYR T 2 401 ? 24.738 31.954 -50.578 1.00 73.21 ? 402 TYR b OH 1 +ATOM 31518 N N . GLY T 2 402 ? 28.585 24.187 -50.195 1.00 63.01 ? 403 GLY b N 1 +ATOM 31519 C CA . GLY T 2 402 ? 29.235 22.918 -49.949 1.00 63.63 ? 403 GLY b CA 1 +ATOM 31520 C C . GLY T 2 402 ? 28.232 21.780 -49.917 1.00 62.08 ? 403 GLY b C 1 +ATOM 31521 O O . GLY T 2 402 ? 27.015 21.970 -49.968 1.00 66.00 ? 403 GLY b O 1 +ATOM 31522 N N . GLY T 2 403 ? 28.766 20.563 -49.841 1.00 58.35 ? 404 GLY b N 1 +ATOM 31523 C CA . GLY T 2 403 ? 27.964 19.373 -49.674 1.00 59.04 ? 404 GLY b CA 1 +ATOM 31524 C C . GLY T 2 403 ? 26.990 19.140 -50.813 1.00 57.72 ? 404 GLY b C 1 +ATOM 31525 O O . GLY T 2 403 ? 27.117 19.679 -51.901 1.00 67.55 ? 404 GLY b O 1 +ATOM 31526 N N . GLU T 2 404 ? 25.975 18.327 -50.522 1.00 73.48 ? 405 GLU b N 1 +ATOM 31527 C CA . GLU T 2 404 ? 25.087 17.853 -51.575 1.00 70.59 ? 405 GLU b CA 1 +ATOM 31528 C C . GLU T 2 404 ? 24.164 18.941 -52.095 1.00 68.72 ? 405 GLU b C 1 +ATOM 31529 O O . GLU T 2 404 ? 23.764 18.895 -53.258 1.00 66.08 ? 405 GLU b O 1 +ATOM 31530 C CB . GLU T 2 404 ? 24.259 16.675 -51.077 1.00 62.71 ? 405 GLU b CB 1 +ATOM 31531 C CG . GLU T 2 404 ? 25.035 15.372 -51.092 1.00 96.89 ? 405 GLU b CG 1 +ATOM 31532 C CD . GLU T 2 404 ? 24.141 14.165 -51.284 1.00 128.39 ? 405 GLU b CD 1 +ATOM 31533 O OE1 . GLU T 2 404 ? 23.047 14.127 -50.670 1.00 106.66 ? 405 GLU b OE1 1 +ATOM 31534 O OE2 . GLU T 2 404 ? 24.537 13.257 -52.054 1.00 126.31 ? 405 GLU b OE2 1 +ATOM 31535 N N . LEU T 2 405 ? 23.763 19.885 -51.258 1.00 59.60 ? 406 LEU b N 1 +ATOM 31536 C CA . LEU T 2 405 ? 22.814 20.891 -51.705 1.00 64.50 ? 406 LEU b CA 1 +ATOM 31537 C C . LEU T 2 405 ? 23.507 22.161 -52.169 1.00 61.23 ? 406 LEU b C 1 +ATOM 31538 O O . LEU T 2 405 ? 22.845 23.191 -52.327 1.00 60.33 ? 406 LEU b O 1 +ATOM 31539 C CB . LEU T 2 405 ? 21.809 21.207 -50.592 1.00 64.47 ? 406 LEU b CB 1 +ATOM 31540 C CG . LEU T 2 405 ? 20.903 20.049 -50.180 1.00 69.41 ? 406 LEU b CG 1 +ATOM 31541 C CD1 . LEU T 2 405 ? 19.786 20.534 -49.278 1.00 61.45 ? 406 LEU b CD1 1 +ATOM 31542 C CD2 . LEU T 2 405 ? 20.346 19.366 -51.416 1.00 62.59 ? 406 LEU b CD2 1 +ATOM 31543 N N . ASN T 2 406 ? 24.819 22.095 -52.394 1.00 60.91 ? 407 ASN b N 1 +ATOM 31544 C CA . ASN T 2 406 ? 25.598 23.257 -52.789 1.00 60.77 ? 407 ASN b CA 1 +ATOM 31545 C C . ASN T 2 406 ? 24.943 23.993 -53.950 1.00 63.77 ? 407 ASN b C 1 +ATOM 31546 O O . ASN T 2 406 ? 24.525 23.381 -54.935 1.00 61.99 ? 407 ASN b O 1 +ATOM 31547 C CB . ASN T 2 406 ? 27.009 22.820 -53.173 1.00 59.44 ? 407 ASN b CB 1 +ATOM 31548 C CG . ASN T 2 406 ? 27.834 23.970 -53.701 1.00 76.88 ? 407 ASN b CG 1 +ATOM 31549 O OD1 . ASN T 2 406 ? 28.153 24.914 -52.966 1.00 66.81 ? 407 ASN b OD1 1 +ATOM 31550 N ND2 . ASN T 2 406 ? 28.176 23.912 -54.982 1.00 71.33 ? 407 ASN b ND2 1 +ATOM 31551 N N . GLY T 2 407 ? 24.834 25.308 -53.814 1.00 61.45 ? 408 GLY b N 1 +ATOM 31552 C CA . GLY T 2 407 ? 24.231 26.132 -54.833 1.00 67.72 ? 408 GLY b CA 1 +ATOM 31553 C C . GLY T 2 407 ? 22.728 26.270 -54.764 1.00 69.01 ? 408 GLY b C 1 +ATOM 31554 O O . GLY T 2 407 ? 22.172 27.112 -55.472 1.00 73.46 ? 408 GLY b O 1 +ATOM 31555 N N . GLN T 2 408 ? 22.036 25.496 -53.939 1.00 73.54 ? 409 GLN b N 1 +ATOM 31556 C CA . GLN T 2 408 ? 20.584 25.577 -53.924 1.00 67.07 ? 409 GLN b CA 1 +ATOM 31557 C C . GLN T 2 408 ? 20.073 26.578 -52.886 1.00 69.47 ? 409 GLN b C 1 +ATOM 31558 O O . GLN T 2 408 ? 20.714 26.835 -51.864 1.00 66.84 ? 409 GLN b O 1 +ATOM 31559 C CB . GLN T 2 408 ? 19.980 24.195 -53.678 1.00 74.79 ? 409 GLN b CB 1 +ATOM 31560 C CG . GLN T 2 408 ? 20.457 23.155 -54.681 1.00 72.25 ? 409 GLN b CG 1 +ATOM 31561 C CD . GLN T 2 408 ? 19.679 21.860 -54.614 1.00 79.20 ? 409 GLN b CD 1 +ATOM 31562 O OE1 . GLN T 2 408 ? 18.446 21.855 -54.534 1.00 87.89 ? 409 GLN b OE1 1 +ATOM 31563 N NE2 . GLN T 2 408 ? 20.398 20.745 -54.667 1.00 76.69 ? 409 GLN b NE2 1 +ATOM 31564 N N . THR T 2 409 ? 18.907 27.147 -53.175 1.00 60.86 ? 410 THR b N 1 +ATOM 31565 C CA . THR T 2 409 ? 18.228 28.081 -52.295 1.00 67.12 ? 410 THR b CA 1 +ATOM 31566 C C . THR T 2 409 ? 16.781 27.644 -52.168 1.00 71.21 ? 410 THR b C 1 +ATOM 31567 O O . THR T 2 409 ? 16.165 27.234 -53.154 1.00 73.51 ? 410 THR b O 1 +ATOM 31568 C CB . THR T 2 409 ? 18.303 29.520 -52.826 1.00 63.33 ? 410 THR b CB 1 +ATOM 31569 O OG1 . THR T 2 409 ? 19.638 29.999 -52.662 1.00 79.57 ? 410 THR b OG1 1 +ATOM 31570 C CG2 . THR T 2 409 ? 17.336 30.447 -52.081 1.00 58.86 ? 410 THR b CG2 1 +ATOM 31571 N N . PHE T 2 410 ? 16.252 27.690 -50.948 1.00 66.65 ? 411 PHE b N 1 +ATOM 31572 C CA . PHE T 2 410 ? 14.865 27.333 -50.706 1.00 65.37 ? 411 PHE b CA 1 +ATOM 31573 C C . PHE T 2 410 ? 14.144 28.529 -50.114 1.00 69.61 ? 411 PHE b C 1 +ATOM 31574 O O . PHE T 2 410 ? 14.729 29.306 -49.344 1.00 65.41 ? 411 PHE b O 1 +ATOM 31575 C CB . PHE T 2 410 ? 14.759 26.111 -49.793 1.00 64.61 ? 411 PHE b CB 1 +ATOM 31576 C CG . PHE T 2 410 ? 15.420 24.894 -50.357 1.00 64.32 ? 411 PHE b CG 1 +ATOM 31577 C CD1 . PHE T 2 410 ? 14.740 24.071 -51.236 1.00 71.19 ? 411 PHE b CD1 1 +ATOM 31578 C CD2 . PHE T 2 410 ? 16.734 24.584 -50.029 1.00 68.36 ? 411 PHE b CD2 1 +ATOM 31579 C CE1 . PHE T 2 410 ? 15.361 22.947 -51.777 1.00 72.29 ? 411 PHE b CE1 1 +ATOM 31580 C CE2 . PHE T 2 410 ? 17.356 23.469 -50.559 1.00 66.09 ? 411 PHE b CE2 1 +ATOM 31581 C CZ . PHE T 2 410 ? 16.669 22.650 -51.438 1.00 71.36 ? 411 PHE b CZ 1 +ATOM 31582 N N . THR T 2 411 ? 12.881 28.691 -50.500 1.00 59.59 ? 412 THR b N 1 +ATOM 31583 C CA . THR T 2 411 ? 12.128 29.870 -50.107 1.00 70.16 ? 412 THR b CA 1 +ATOM 31584 C C . THR T 2 411 ? 10.730 29.565 -49.601 1.00 61.41 ? 412 THR b C 1 +ATOM 31585 O O . THR T 2 411 ? 10.110 30.462 -49.028 1.00 73.01 ? 412 THR b O 1 +ATOM 31586 C CB . THR T 2 411 ? 12.023 30.876 -51.282 1.00 78.58 ? 412 THR b CB 1 +ATOM 31587 O OG1 . THR T 2 411 ? 11.273 30.296 -52.354 1.00 61.70 ? 412 THR b OG1 1 +ATOM 31588 C CG2 . THR T 2 411 ? 13.410 31.288 -51.809 1.00 57.49 ? 412 THR b CG2 1 +ATOM 31589 N N . ASP T 2 412 ? 10.198 28.357 -49.814 1.00 56.08 ? 413 ASP b N 1 +ATOM 31590 C CA . ASP T 2 412 ? 8.888 28.054 -49.243 1.00 74.75 ? 413 ASP b CA 1 +ATOM 31591 C C . ASP T 2 412 ? 9.030 27.788 -47.745 1.00 70.21 ? 413 ASP b C 1 +ATOM 31592 O O . ASP T 2 412 ? 9.881 26.984 -47.340 1.00 57.62 ? 413 ASP b O 1 +ATOM 31593 C CB . ASP T 2 412 ? 8.259 26.851 -49.921 1.00 53.10 ? 413 ASP b CB 1 +ATOM 31594 C CG . ASP T 2 412 ? 9.135 25.638 -49.833 1.00 85.06 ? 413 ASP b CG 1 +ATOM 31595 O OD1 . ASP T 2 412 ? 10.309 25.764 -50.263 1.00 85.40 ? 413 ASP b OD1 1 +ATOM 31596 O OD2 . ASP T 2 412 ? 8.675 24.592 -49.302 1.00 74.72 ? 413 ASP b OD2 1 +ATOM 31597 N N . PRO T 2 413 ? 8.207 28.412 -46.911 1.00 62.42 ? 414 PRO b N 1 +ATOM 31598 C CA . PRO T 2 413 ? 8.443 28.404 -45.456 1.00 69.02 ? 414 PRO b CA 1 +ATOM 31599 C C . PRO T 2 413 ? 8.519 27.007 -44.858 1.00 64.79 ? 414 PRO b C 1 +ATOM 31600 O O . PRO T 2 413 ? 9.380 26.777 -43.995 1.00 66.54 ? 414 PRO b O 1 +ATOM 31601 C CB . PRO T 2 413 ? 7.250 29.200 -44.906 1.00 66.73 ? 414 PRO b CB 1 +ATOM 31602 C CG . PRO T 2 413 ? 6.984 30.199 -46.027 1.00 71.10 ? 414 PRO b CG 1 +ATOM 31603 C CD . PRO T 2 413 ? 7.156 29.372 -47.294 1.00 57.65 ? 414 PRO b CD 1 +ATOM 31604 N N . PRO T 2 414 ? 7.663 26.046 -45.259 1.00 75.42 ? 415 PRO b N 1 +ATOM 31605 C CA . PRO T 2 414 ? 7.805 24.685 -44.686 1.00 66.17 ? 415 PRO b CA 1 +ATOM 31606 C C . PRO T 2 414 ? 9.204 24.120 -44.815 1.00 63.10 ? 415 PRO b C 1 +ATOM 31607 O O . PRO T 2 414 ? 9.774 23.655 -43.827 1.00 65.60 ? 415 PRO b O 1 +ATOM 31608 C CB . PRO T 2 414 ? 6.795 23.853 -45.487 1.00 60.97 ? 415 PRO b CB 1 +ATOM 31609 C CG . PRO T 2 414 ? 5.789 24.825 -45.939 1.00 78.10 ? 415 PRO b CG 1 +ATOM 31610 C CD . PRO T 2 414 ? 6.500 26.119 -46.173 1.00 68.15 ? 415 PRO b CD 1 +ATOM 31611 N N . THR T 2 415 ? 9.775 24.145 -46.018 1.00 63.43 ? 416 THR b N 1 +ATOM 31612 C CA . THR T 2 415 ? 11.110 23.595 -46.215 1.00 59.71 ? 416 THR b CA 1 +ATOM 31613 C C . THR T 2 415 ? 12.165 24.396 -45.464 1.00 65.01 ? 416 THR b C 1 +ATOM 31614 O O . THR T 2 415 ? 13.107 23.819 -44.903 1.00 63.63 ? 416 THR b O 1 +ATOM 31615 C CB . THR T 2 415 ? 11.423 23.548 -47.706 1.00 67.35 ? 416 THR b CB 1 +ATOM 31616 O OG1 . THR T 2 415 ? 10.443 22.727 -48.343 1.00 66.88 ? 416 THR b OG1 1 +ATOM 31617 C CG2 . THR T 2 415 ? 12.826 22.987 -47.961 1.00 55.20 ? 416 THR b CG2 1 +ATOM 31618 N N . VAL T 2 416 ? 12.028 25.726 -45.449 1.00 60.11 ? 417 VAL b N 1 +ATOM 31619 C CA . VAL T 2 416 ? 12.985 26.557 -44.731 1.00 55.63 ? 417 VAL b CA 1 +ATOM 31620 C C . VAL T 2 416 ? 12.937 26.245 -43.244 1.00 54.23 ? 417 VAL b C 1 +ATOM 31621 O O . VAL T 2 416 ? 13.978 26.146 -42.584 1.00 55.60 ? 417 VAL b O 1 +ATOM 31622 C CB . VAL T 2 416 ? 12.716 28.049 -45.001 1.00 59.25 ? 417 VAL b CB 1 +ATOM 31623 C CG1 . VAL T 2 416 ? 13.768 28.911 -44.305 1.00 51.47 ? 417 VAL b CG1 1 +ATOM 31624 C CG2 . VAL T 2 416 ? 12.694 28.335 -46.509 1.00 64.46 ? 417 VAL b CG2 1 +ATOM 31625 N N . LYS T 2 417 ? 11.723 26.106 -42.694 1.00 61.32 ? 418 LYS b N 1 +ATOM 31626 C CA . LYS T 2 417 ? 11.565 25.750 -41.287 1.00 64.58 ? 418 LYS b CA 1 +ATOM 31627 C C . LYS T 2 417 ? 12.164 24.386 -41.003 1.00 63.02 ? 418 LYS b C 1 +ATOM 31628 O O . LYS T 2 417 ? 12.785 24.172 -39.956 1.00 59.19 ? 418 LYS b O 1 +ATOM 31629 C CB . LYS T 2 417 ? 10.090 25.745 -40.901 1.00 62.99 ? 418 LYS b CB 1 +ATOM 31630 C CG . LYS T 2 417 ? 9.476 27.102 -40.636 1.00 54.54 ? 418 LYS b CG 1 +ATOM 31631 C CD . LYS T 2 417 ? 8.010 27.027 -41.014 1.00 64.02 ? 418 LYS b CD 1 +ATOM 31632 C CE . LYS T 2 417 ? 7.188 28.054 -40.304 1.00 60.82 ? 418 LYS b CE 1 +ATOM 31633 N NZ . LYS T 2 417 ? 5.763 27.680 -40.433 1.00 68.59 ? 418 LYS b NZ 1 +ATOM 31634 N N . SER T 2 418 ? 11.975 23.449 -41.927 1.00 55.00 ? 419 SER b N 1 +ATOM 31635 C CA . SER T 2 418 ? 12.522 22.115 -41.758 1.00 58.96 ? 419 SER b CA 1 +ATOM 31636 C C . SER T 2 418 ? 14.045 22.155 -41.609 1.00 64.47 ? 419 SER b C 1 +ATOM 31637 O O . SER T 2 418 ? 14.616 21.431 -40.786 1.00 58.00 ? 419 SER b O 1 +ATOM 31638 C CB . SER T 2 418 ? 12.090 21.250 -42.942 1.00 60.60 ? 419 SER b CB 1 +ATOM 31639 O OG . SER T 2 418 ? 12.558 19.928 -42.794 1.00 116.20 ? 419 SER b OG 1 +ATOM 31640 N N . TYR T 2 419 ? 14.722 23.020 -42.366 1.00 57.20 ? 420 TYR b N 1 +ATOM 31641 C CA . TYR T 2 419 ? 16.176 23.044 -42.269 1.00 53.61 ? 420 TYR b CA 1 +ATOM 31642 C C . TYR T 2 419 ? 16.648 23.817 -41.052 1.00 55.33 ? 420 TYR b C 1 +ATOM 31643 O O . TYR T 2 419 ? 17.736 23.538 -40.530 1.00 56.31 ? 420 TYR b O 1 +ATOM 31644 C CB . TYR T 2 419 ? 16.789 23.626 -43.551 1.00 55.12 ? 420 TYR b CB 1 +ATOM 31645 C CG . TYR T 2 419 ? 16.824 22.613 -44.676 1.00 60.40 ? 420 TYR b CG 1 +ATOM 31646 C CD1 . TYR T 2 419 ? 17.621 21.477 -44.580 1.00 59.57 ? 420 TYR b CD1 1 +ATOM 31647 C CD2 . TYR T 2 419 ? 16.049 22.773 -45.820 1.00 61.80 ? 420 TYR b CD2 1 +ATOM 31648 C CE1 . TYR T 2 419 ? 17.654 20.529 -45.587 1.00 54.45 ? 420 TYR b CE1 1 +ATOM 31649 C CE2 . TYR T 2 419 ? 16.081 21.820 -46.841 1.00 61.55 ? 420 TYR b CE2 1 +ATOM 31650 C CZ . TYR T 2 419 ? 16.887 20.703 -46.705 1.00 54.50 ? 420 TYR b CZ 1 +ATOM 31651 O OH . TYR T 2 419 ? 16.947 19.755 -47.688 1.00 75.93 ? 420 TYR b OH 1 +ATOM 31652 N N . ALA T 2 420 ? 15.867 24.809 -40.608 1.00 51.56 ? 421 ALA b N 1 +ATOM 31653 C CA . ALA T 2 420 ? 16.220 25.536 -39.395 1.00 63.07 ? 421 ALA b CA 1 +ATOM 31654 C C . ALA T 2 420 ? 16.108 24.634 -38.170 1.00 57.64 ? 421 ALA b C 1 +ATOM 31655 O O . ALA T 2 420 ? 16.951 24.702 -37.262 1.00 52.92 ? 421 ALA b O 1 +ATOM 31656 C CB . ALA T 2 420 ? 15.331 26.761 -39.240 1.00 51.44 ? 421 ALA b CB 1 +ATOM 31657 N N . ARG T 2 421 ? 15.079 23.782 -38.137 1.00 49.41 ? 422 ARG b N 1 +ATOM 31658 C CA . ARG T 2 421 ? 14.991 22.760 -37.095 1.00 59.07 ? 422 ARG b CA 1 +ATOM 31659 C C . ARG T 2 421 ? 16.244 21.906 -37.056 1.00 48.41 ? 422 ARG b C 1 +ATOM 31660 O O . ARG T 2 421 ? 16.715 21.542 -35.980 1.00 64.05 ? 422 ARG b O 1 +ATOM 31661 C CB . ARG T 2 421 ? 13.772 21.872 -37.314 1.00 51.99 ? 422 ARG b CB 1 +ATOM 31662 C CG . ARG T 2 421 ? 12.520 22.409 -36.708 1.00 58.53 ? 422 ARG b CG 1 +ATOM 31663 C CD . ARG T 2 421 ? 11.368 21.443 -36.917 1.00 65.57 ? 422 ARG b CD 1 +ATOM 31664 N NE . ARG T 2 421 ? 10.195 22.163 -37.388 1.00 77.40 ? 422 ARG b NE 1 +ATOM 31665 C CZ . ARG T 2 421 ? 9.676 22.056 -38.605 1.00 79.23 ? 422 ARG b CZ 1 +ATOM 31666 N NH1 . ARG T 2 421 ? 10.123 21.159 -39.476 1.00 71.66 ? 422 ARG b NH1 1 +ATOM 31667 N NH2 . ARG T 2 421 ? 8.678 22.866 -38.955 1.00 68.36 ? 422 ARG b NH2 1 +ATOM 31668 N N . LYS T 2 422 ? 16.802 21.571 -38.213 1.00 54.58 ? 423 LYS b N 1 +ATOM 31669 C CA . LYS T 2 422 ? 18.010 20.752 -38.209 1.00 50.40 ? 423 LYS b CA 1 +ATOM 31670 C C . LYS T 2 422 ? 19.233 21.554 -37.795 1.00 57.79 ? 423 LYS b C 1 +ATOM 31671 O O . LYS T 2 422 ? 20.183 20.987 -37.231 1.00 52.01 ? 423 LYS b O 1 +ATOM 31672 C CB . LYS T 2 422 ? 18.228 20.129 -39.585 1.00 55.45 ? 423 LYS b CB 1 +ATOM 31673 C CG . LYS T 2 422 ? 17.083 19.230 -40.002 1.00 55.30 ? 423 LYS b CG 1 +ATOM 31674 C CD . LYS T 2 422 ? 16.787 18.247 -38.877 1.00 63.90 ? 423 LYS b CD 1 +ATOM 31675 C CE . LYS T 2 422 ? 15.486 17.528 -39.112 1.00 69.48 ? 423 LYS b CE 1 +ATOM 31676 N NZ . LYS T 2 422 ? 15.160 16.677 -37.943 1.00 66.37 ? 423 LYS b NZ 1 +ATOM 31677 N N . ALA T 2 423 ? 19.226 22.868 -38.049 1.00 47.48 ? 424 ALA b N 1 +ATOM 31678 C CA . ALA T 2 423 ? 20.423 23.673 -37.842 1.00 52.68 ? 424 ALA b CA 1 +ATOM 31679 C C . ALA T 2 423 ? 20.716 23.945 -36.370 1.00 53.96 ? 424 ALA b C 1 +ATOM 31680 O O . ALA T 2 423 ? 21.863 24.264 -36.033 1.00 57.47 ? 424 ALA b O 1 +ATOM 31681 C CB . ALA T 2 423 ? 20.312 24.997 -38.622 1.00 46.52 ? 424 ALA b CB 1 +ATOM 31682 N N . ILE T 2 424 ? 19.728 23.815 -35.477 1.00 52.34 ? 425 ILE b N 1 +ATOM 31683 C CA . ILE T 2 424 ? 20.052 23.868 -34.058 1.00 46.04 ? 425 ILE b CA 1 +ATOM 31684 C C . ILE T 2 424 ? 20.996 22.740 -33.652 1.00 50.99 ? 425 ILE b C 1 +ATOM 31685 O O . ILE T 2 424 ? 21.658 22.850 -32.618 1.00 54.72 ? 425 ILE b O 1 +ATOM 31686 C CB . ILE T 2 424 ? 18.789 23.836 -33.165 1.00 58.82 ? 425 ILE b CB 1 +ATOM 31687 C CG1 . ILE T 2 424 ? 18.113 22.463 -33.188 1.00 64.87 ? 425 ILE b CG1 1 +ATOM 31688 C CG2 . ILE T 2 424 ? 17.799 24.893 -33.550 1.00 54.76 ? 425 ILE b CG2 1 +ATOM 31689 C CD1 . ILE T 2 424 ? 17.083 22.323 -32.070 1.00 60.87 ? 425 ILE b CD1 1 +ATOM 31690 N N . PHE T 2 425 ? 21.075 21.651 -34.432 1.00 47.01 ? 426 PHE b N 1 +ATOM 31691 C CA . PHE T 2 425 ? 21.976 20.538 -34.131 1.00 53.45 ? 426 PHE b CA 1 +ATOM 31692 C C . PHE T 2 425 ? 23.379 20.748 -34.689 1.00 54.25 ? 426 PHE b C 1 +ATOM 31693 O O . PHE T 2 425 ? 24.241 19.877 -34.502 1.00 53.66 ? 426 PHE b O 1 +ATOM 31694 C CB . PHE T 2 425 ? 21.435 19.199 -34.684 1.00 56.06 ? 426 PHE b CB 1 +ATOM 31695 C CG . PHE T 2 425 ? 20.051 18.841 -34.220 1.00 53.48 ? 426 PHE b CG 1 +ATOM 31696 C CD1 . PHE T 2 425 ? 19.638 19.095 -32.912 1.00 51.54 ? 426 PHE b CD1 1 +ATOM 31697 C CD2 . PHE T 2 425 ? 19.157 18.242 -35.103 1.00 50.26 ? 426 PHE b CD2 1 +ATOM 31698 C CE1 . PHE T 2 425 ? 18.359 18.764 -32.498 1.00 47.98 ? 426 PHE b CE1 1 +ATOM 31699 C CE2 . PHE T 2 425 ? 17.877 17.900 -34.696 1.00 52.42 ? 426 PHE b CE2 1 +ATOM 31700 C CZ . PHE T 2 425 ? 17.478 18.149 -33.390 1.00 52.17 ? 426 PHE b CZ 1 +ATOM 31701 N N . GLY T 2 426 ? 23.625 21.873 -35.364 1.00 55.97 ? 427 GLY b N 1 +ATOM 31702 C CA . GLY T 2 426 ? 24.891 22.111 -36.029 1.00 47.66 ? 427 GLY b CA 1 +ATOM 31703 C C . GLY T 2 426 ? 24.809 21.843 -37.515 1.00 56.99 ? 427 GLY b C 1 +ATOM 31704 O O . GLY T 2 426 ? 23.785 22.138 -38.145 1.00 53.60 ? 427 GLY b O 1 +ATOM 31705 N N . GLU T 2 427 ? 25.872 21.283 -38.084 1.00 50.01 ? 428 GLU b N 1 +ATOM 31706 C CA . GLU T 2 427 ? 25.888 20.992 -39.508 1.00 51.43 ? 428 GLU b CA 1 +ATOM 31707 C C . GLU T 2 427 ? 24.898 19.877 -39.845 1.00 61.46 ? 428 GLU b C 1 +ATOM 31708 O O . GLU T 2 427 ? 24.646 18.970 -39.044 1.00 52.18 ? 428 GLU b O 1 +ATOM 31709 C CB . GLU T 2 427 ? 27.304 20.614 -39.959 1.00 56.63 ? 428 GLU b CB 1 +ATOM 31710 C CG . GLU T 2 427 ? 28.279 21.816 -40.019 1.00 53.92 ? 428 GLU b CG 1 +ATOM 31711 C CD . GLU T 2 427 ? 27.846 22.870 -41.021 1.00 58.45 ? 428 GLU b CD 1 +ATOM 31712 O OE1 . GLU T 2 427 ? 27.156 22.508 -42.006 1.00 56.02 ? 428 GLU b OE1 1 +ATOM 31713 O OE2 . GLU T 2 427 ? 28.191 24.061 -40.815 1.00 61.27 ? 428 GLU b OE2 1 +ATOM 31714 N N . ILE T 2 428 ? 24.337 19.953 -41.050 1.00 52.59 ? 429 ILE b N 1 +ATOM 31715 C CA . ILE T 2 428 ? 23.179 19.154 -41.436 1.00 51.32 ? 429 ILE b CA 1 +ATOM 31716 C C . ILE T 2 428 ? 23.641 18.012 -42.328 1.00 61.79 ? 429 ILE b C 1 +ATOM 31717 O O . ILE T 2 428 ? 24.410 18.218 -43.281 1.00 53.76 ? 429 ILE b O 1 +ATOM 31718 C CB . ILE T 2 428 ? 22.121 20.016 -42.143 1.00 49.82 ? 429 ILE b CB 1 +ATOM 31719 C CG1 . ILE T 2 428 ? 21.600 21.097 -41.199 1.00 47.41 ? 429 ILE b CG1 1 +ATOM 31720 C CG2 . ILE T 2 428 ? 20.964 19.175 -42.617 1.00 53.23 ? 429 ILE b CG2 1 +ATOM 31721 C CD1 . ILE T 2 428 ? 20.749 22.139 -41.900 1.00 48.40 ? 429 ILE b CD1 1 +ATOM 31722 N N . PHE T 2 429 ? 23.165 16.806 -42.024 1.00 54.69 ? 430 PHE b N 1 +ATOM 31723 C CA . PHE T 2 429 ? 23.627 15.605 -42.695 1.00 53.97 ? 430 PHE b CA 1 +ATOM 31724 C C . PHE T 2 429 ? 22.443 14.809 -43.212 1.00 54.38 ? 430 PHE b C 1 +ATOM 31725 O O . PHE T 2 429 ? 21.320 14.926 -42.711 1.00 51.67 ? 430 PHE b O 1 +ATOM 31726 C CB . PHE T 2 429 ? 24.511 14.741 -41.763 1.00 46.67 ? 430 PHE b CB 1 +ATOM 31727 C CG . PHE T 2 429 ? 25.918 15.236 -41.682 1.00 52.99 ? 430 PHE b CG 1 +ATOM 31728 C CD1 . PHE T 2 429 ? 26.255 16.266 -40.815 1.00 52.10 ? 430 PHE b CD1 1 +ATOM 31729 C CD2 . PHE T 2 429 ? 26.895 14.717 -42.519 1.00 51.84 ? 430 PHE b CD2 1 +ATOM 31730 C CE1 . PHE T 2 429 ? 27.560 16.761 -40.765 1.00 55.90 ? 430 PHE b CE1 1 +ATOM 31731 C CE2 . PHE T 2 429 ? 28.201 15.195 -42.470 1.00 54.71 ? 430 PHE b CE2 1 +ATOM 31732 C CZ . PHE T 2 429 ? 28.530 16.225 -41.598 1.00 52.68 ? 430 PHE b CZ 1 +ATOM 31733 N N . GLU T 2 430 ? 22.703 14.041 -44.260 1.00 49.66 ? 431 GLU b N 1 +ATOM 31734 C CA . GLU T 2 430 ? 21.753 13.061 -44.746 1.00 53.80 ? 431 GLU b CA 1 +ATOM 31735 C C . GLU T 2 430 ? 22.012 11.751 -44.014 1.00 50.70 ? 431 GLU b C 1 +ATOM 31736 O O . GLU T 2 430 ? 23.168 11.337 -43.874 1.00 56.59 ? 431 GLU b O 1 +ATOM 31737 C CB . GLU T 2 430 ? 21.901 12.883 -46.262 1.00 55.93 ? 431 GLU b CB 1 +ATOM 31738 C CG . GLU T 2 430 ? 21.050 11.777 -46.824 1.00 73.68 ? 431 GLU b CG 1 +ATOM 31739 C CD . GLU T 2 430 ? 19.584 12.159 -46.903 1.00 94.21 ? 431 GLU b CD 1 +ATOM 31740 O OE1 . GLU T 2 430 ? 19.295 13.363 -47.074 1.00 93.64 ? 431 GLU b OE1 1 +ATOM 31741 O OE2 . GLU T 2 430 ? 18.721 11.252 -46.791 1.00 114.92 ? 431 GLU b OE2 1 +ATOM 31742 N N . PHE T 2 431 ? 20.943 11.112 -43.537 1.00 50.75 ? 432 PHE b N 1 +ATOM 31743 C CA . PHE T 2 431 ? 21.044 9.884 -42.754 1.00 53.83 ? 432 PHE b CA 1 +ATOM 31744 C C . PHE T 2 431 ? 20.212 8.772 -43.378 1.00 57.24 ? 432 PHE b C 1 +ATOM 31745 O O . PHE T 2 431 ? 19.086 8.996 -43.836 1.00 51.77 ? 432 PHE b O 1 +ATOM 31746 C CB . PHE T 2 431 ? 20.566 10.073 -41.304 1.00 45.27 ? 432 PHE b CB 1 +ATOM 31747 C CG . PHE T 2 431 ? 21.445 10.963 -40.473 1.00 50.76 ? 432 PHE b CG 1 +ATOM 31748 C CD1 . PHE T 2 431 ? 21.215 12.332 -40.419 1.00 48.05 ? 432 PHE b CD1 1 +ATOM 31749 C CD2 . PHE T 2 431 ? 22.496 10.430 -39.737 1.00 50.67 ? 432 PHE b CD2 1 +ATOM 31750 C CE1 . PHE T 2 431 ? 22.013 13.148 -39.647 1.00 54.30 ? 432 PHE b CE1 1 +ATOM 31751 C CE2 . PHE T 2 431 ? 23.318 11.254 -38.955 1.00 46.37 ? 432 PHE b CE2 1 +ATOM 31752 C CZ . PHE T 2 431 ? 23.069 12.603 -38.907 1.00 45.36 ? 432 PHE b CZ 1 +ATOM 31753 N N . ASP T 2 432 ? 20.764 7.566 -43.371 1.00 49.81 ? 433 ASP b N 1 +ATOM 31754 C CA . ASP T 2 432 ? 19.988 6.370 -43.651 1.00 51.22 ? 433 ASP b CA 1 +ATOM 31755 C C . ASP T 2 432 ? 19.396 5.922 -42.318 1.00 55.00 ? 433 ASP b C 1 +ATOM 31756 O O . ASP T 2 432 ? 20.122 5.481 -41.422 1.00 49.41 ? 433 ASP b O 1 +ATOM 31757 C CB . ASP T 2 432 ? 20.866 5.302 -44.304 1.00 47.92 ? 433 ASP b CB 1 +ATOM 31758 C CG . ASP T 2 432 ? 20.240 3.899 -44.286 1.00 60.15 ? 433 ASP b CG 1 +ATOM 31759 O OD1 . ASP T 2 432 ? 19.027 3.746 -43.986 1.00 52.77 ? 433 ASP b OD1 1 +ATOM 31760 O OD2 . ASP T 2 432 ? 20.991 2.933 -44.573 1.00 56.65 ? 433 ASP b OD2 1 +ATOM 31761 N N . THR T 2 433 ? 18.078 6.031 -42.193 1.00 52.40 ? 434 THR b N 1 +ATOM 31762 C CA . THR T 2 433 ? 17.365 5.593 -41.004 1.00 52.68 ? 434 THR b CA 1 +ATOM 31763 C C . THR T 2 433 ? 16.681 4.247 -41.175 1.00 59.06 ? 434 THR b C 1 +ATOM 31764 O O . THR T 2 433 ? 16.104 3.747 -40.203 1.00 59.90 ? 434 THR b O 1 +ATOM 31765 C CB . THR T 2 433 ? 16.313 6.625 -40.612 1.00 53.64 ? 434 THR b CB 1 +ATOM 31766 O OG1 . THR T 2 433 ? 15.365 6.757 -41.679 1.00 55.76 ? 434 THR b OG1 1 +ATOM 31767 C CG2 . THR T 2 433 ? 16.954 7.952 -40.368 1.00 53.92 ? 434 THR b CG2 1 +ATOM 31768 N N . GLU T 2 434 ? 16.722 3.660 -42.380 1.00 54.43 ? 435 GLU b N 1 +ATOM 31769 C CA . GLU T 2 434 ? 15.994 2.441 -42.726 1.00 57.66 ? 435 GLU b CA 1 +ATOM 31770 C C . GLU T 2 434 ? 16.768 1.167 -42.410 1.00 51.84 ? 435 GLU b C 1 +ATOM 31771 O O . GLU T 2 434 ? 16.197 0.216 -41.867 1.00 56.10 ? 435 GLU b O 1 +ATOM 31772 C CB . GLU T 2 434 ? 15.630 2.449 -44.213 1.00 60.92 ? 435 GLU b CB 1 +ATOM 31773 C CG . GLU T 2 434 ? 14.585 3.494 -44.581 1.00 87.66 ? 435 GLU b CG 1 +ATOM 31774 C CD . GLU T 2 434 ? 13.228 3.183 -43.961 1.00 139.61 ? 435 GLU b CD 1 +ATOM 31775 O OE1 . GLU T 2 434 ? 12.386 2.568 -44.664 1.00 169.94 ? 435 GLU b OE1 1 +ATOM 31776 O OE2 . GLU T 2 434 ? 13.015 3.531 -42.767 1.00 129.41 ? 435 GLU b OE2 1 +ATOM 31777 N N . THR T 2 435 ? 18.057 1.133 -42.735 1.00 54.12 ? 436 THR b N 1 +ATOM 31778 C CA . THR T 2 435 ? 18.846 -0.082 -42.553 1.00 49.85 ? 436 THR b CA 1 +ATOM 31779 C C . THR T 2 435 ? 18.736 -0.638 -41.136 1.00 55.11 ? 436 THR b C 1 +ATOM 31780 O O . THR T 2 435 ? 18.527 -1.836 -40.952 1.00 55.65 ? 436 THR b O 1 +ATOM 31781 C CB . THR T 2 435 ? 20.298 0.217 -42.916 1.00 54.87 ? 436 THR b CB 1 +ATOM 31782 O OG1 . THR T 2 435 ? 20.353 0.666 -44.275 1.00 54.69 ? 436 THR b OG1 1 +ATOM 31783 C CG2 . THR T 2 435 ? 21.174 -0.995 -42.734 1.00 46.47 ? 436 THR b CG2 1 +ATOM 31784 N N . LEU T 2 436 ? 18.865 0.211 -40.111 1.00 52.50 ? 437 LEU b N 1 +ATOM 31785 C CA . LEU T 2 436 ? 18.759 -0.270 -38.734 1.00 43.81 ? 437 LEU b CA 1 +ATOM 31786 C C . LEU T 2 436 ? 17.421 0.047 -38.097 1.00 47.63 ? 437 LEU b C 1 +ATOM 31787 O O . LEU T 2 436 ? 17.279 -0.129 -36.887 1.00 51.50 ? 437 LEU b O 1 +ATOM 31788 C CB . LEU T 2 436 ? 19.860 0.324 -37.857 1.00 43.92 ? 437 LEU b CB 1 +ATOM 31789 C CG . LEU T 2 436 ? 21.261 0.290 -38.448 1.00 58.76 ? 437 LEU b CG 1 +ATOM 31790 C CD1 . LEU T 2 436 ? 22.250 0.977 -37.545 1.00 54.35 ? 437 LEU b CD1 1 +ATOM 31791 C CD2 . LEU T 2 436 ? 21.684 -1.146 -38.703 1.00 56.99 ? 437 LEU b CD2 1 +ATOM 31792 N N . ASN T 2 437 ? 16.456 0.545 -38.865 1.00 47.48 ? 438 ASN b N 1 +ATOM 31793 C CA . ASN T 2 437 ? 15.187 1.029 -38.326 1.00 49.89 ? 438 ASN b CA 1 +ATOM 31794 C C . ASN T 2 437 ? 15.432 2.025 -37.185 1.00 58.87 ? 438 ASN b C 1 +ATOM 31795 O O . ASN T 2 437 ? 15.020 1.839 -36.028 1.00 54.60 ? 438 ASN b O 1 +ATOM 31796 C CB . ASN T 2 437 ? 14.307 -0.146 -37.878 1.00 53.52 ? 438 ASN b CB 1 +ATOM 31797 C CG . ASN T 2 437 ? 12.940 0.303 -37.405 1.00 74.09 ? 438 ASN b CG 1 +ATOM 31798 O OD1 . ASN T 2 437 ? 12.427 1.361 -37.817 1.00 74.20 ? 438 ASN b OD1 1 +ATOM 31799 N ND2 . ASN T 2 437 ? 12.348 -0.481 -36.510 1.00 69.79 ? 438 ASN b ND2 1 +ATOM 31800 N N . SER T 2 438 ? 16.157 3.084 -37.524 1.00 53.98 ? 439 SER b N 1 +ATOM 31801 C CA . SER T 2 438 ? 16.573 4.050 -36.516 1.00 47.65 ? 439 SER b CA 1 +ATOM 31802 C C . SER T 2 438 ? 15.365 4.815 -36.004 1.00 51.63 ? 439 SER b C 1 +ATOM 31803 O O . SER T 2 438 ? 14.453 5.141 -36.771 1.00 51.65 ? 439 SER b O 1 +ATOM 31804 C CB . SER T 2 438 ? 17.609 5.001 -37.101 1.00 45.90 ? 439 SER b CB 1 +ATOM 31805 O OG . SER T 2 438 ? 18.756 4.276 -37.505 1.00 50.43 ? 439 SER b OG 1 +ATOM 31806 N N . ASP T 2 439 ? 15.338 5.076 -34.694 1.00 45.11 ? 440 ASP b N 1 +ATOM 31807 C CA . ASP T 2 439 ? 14.166 5.728 -34.120 1.00 48.42 ? 440 ASP b CA 1 +ATOM 31808 C C . ASP T 2 439 ? 14.293 7.248 -34.043 1.00 49.44 ? 440 ASP b C 1 +ATOM 31809 O O . ASP T 2 439 ? 13.313 7.918 -33.709 1.00 55.09 ? 440 ASP b O 1 +ATOM 31810 C CB . ASP T 2 439 ? 13.838 5.146 -32.727 1.00 47.73 ? 440 ASP b CB 1 +ATOM 31811 C CG . ASP T 2 439 ? 15.048 5.079 -31.787 1.00 54.31 ? 440 ASP b CG 1 +ATOM 31812 O OD1 . ASP T 2 439 ? 15.927 5.972 -31.805 1.00 48.40 ? 440 ASP b OD1 1 +ATOM 31813 O OD2 . ASP T 2 439 ? 15.096 4.126 -30.995 1.00 49.40 ? 440 ASP b OD2 1 +ATOM 31814 N N . GLY T 2 440 ? 15.449 7.820 -34.372 1.00 46.04 ? 441 GLY b N 1 +ATOM 31815 C CA . GLY T 2 440 ? 15.556 9.260 -34.395 1.00 42.74 ? 441 GLY b CA 1 +ATOM 31816 C C . GLY T 2 440 ? 15.864 9.919 -33.070 1.00 47.88 ? 441 GLY b C 1 +ATOM 31817 O O . GLY T 2 440 ? 15.717 11.141 -32.957 1.00 49.95 ? 441 GLY b O 1 +ATOM 31818 N N . ILE T 2 441 ? 16.302 9.154 -32.065 1.00 48.74 ? 442 ILE b N 1 +ATOM 31819 C CA . ILE T 2 441 ? 16.558 9.668 -30.718 1.00 42.95 ? 442 ILE b CA 1 +ATOM 31820 C C . ILE T 2 441 ? 18.038 9.476 -30.394 1.00 48.07 ? 442 ILE b C 1 +ATOM 31821 O O . ILE T 2 441 ? 18.575 8.375 -30.555 1.00 47.00 ? 442 ILE b O 1 +ATOM 31822 C CB . ILE T 2 441 ? 15.670 8.962 -29.678 1.00 47.15 ? 442 ILE b CB 1 +ATOM 31823 C CG1 . ILE T 2 441 ? 14.193 9.076 -30.060 1.00 46.88 ? 442 ILE b CG1 1 +ATOM 31824 C CG2 . ILE T 2 441 ? 15.885 9.544 -28.317 1.00 46.45 ? 442 ILE b CG2 1 +ATOM 31825 C CD1 . ILE T 2 441 ? 13.280 8.285 -29.139 1.00 48.03 ? 442 ILE b CD1 1 +ATOM 31826 N N . PHE T 2 442 ? 18.692 10.536 -29.926 1.00 45.66 ? 443 PHE b N 1 +ATOM 31827 C CA . PHE T 2 442 ? 20.145 10.496 -29.778 1.00 52.96 ? 443 PHE b CA 1 +ATOM 31828 C C . PHE T 2 442 ? 20.609 9.463 -28.751 1.00 57.73 ? 443 PHE b C 1 +ATOM 31829 O O . PHE T 2 442 ? 19.980 9.263 -27.702 1.00 43.92 ? 443 PHE b O 1 +ATOM 31830 C CB . PHE T 2 442 ? 20.674 11.867 -29.369 1.00 47.76 ? 443 PHE b CB 1 +ATOM 31831 C CG . PHE T 2 442 ? 20.460 12.928 -30.392 1.00 45.83 ? 443 PHE b CG 1 +ATOM 31832 C CD1 . PHE T 2 442 ? 20.999 12.797 -31.667 1.00 50.41 ? 443 PHE b CD1 1 +ATOM 31833 C CD2 . PHE T 2 442 ? 19.736 14.074 -30.070 1.00 46.08 ? 443 PHE b CD2 1 +ATOM 31834 C CE1 . PHE T 2 442 ? 20.816 13.799 -32.624 1.00 51.46 ? 443 PHE b CE1 1 +ATOM 31835 C CE2 . PHE T 2 442 ? 19.556 15.086 -31.019 1.00 53.10 ? 443 PHE b CE2 1 +ATOM 31836 C CZ . PHE T 2 442 ? 20.098 14.939 -32.305 1.00 49.05 ? 443 PHE b CZ 1 +ATOM 31837 N N . ARG T 2 443 ? 21.748 8.842 -29.049 1.00 40.54 ? 444 ARG b N 1 +ATOM 31838 C CA . ARG T 2 443 ? 22.414 7.932 -28.135 1.00 49.60 ? 444 ARG b CA 1 +ATOM 31839 C C . ARG T 2 443 ? 23.821 8.436 -27.817 1.00 50.44 ? 444 ARG b C 1 +ATOM 31840 O O . ARG T 2 443 ? 24.392 9.235 -28.554 1.00 50.87 ? 444 ARG b O 1 +ATOM 31841 C CB . ARG T 2 443 ? 22.430 6.516 -28.738 1.00 47.06 ? 444 ARG b CB 1 +ATOM 31842 C CG . ARG T 2 443 ? 21.018 5.894 -28.676 1.00 51.10 ? 444 ARG b CG 1 +ATOM 31843 C CD . ARG T 2 443 ? 20.835 4.708 -29.551 1.00 48.20 ? 444 ARG b CD 1 +ATOM 31844 N NE . ARG T 2 443 ? 19.569 4.006 -29.331 1.00 50.03 ? 444 ARG b NE 1 +ATOM 31845 C CZ . ARG T 2 443 ? 18.371 4.412 -29.743 1.00 48.13 ? 444 ARG b CZ 1 +ATOM 31846 N NH1 . ARG T 2 443 ? 18.163 5.641 -30.194 1.00 46.00 ? 444 ARG b NH1 1 +ATOM 31847 N NH2 . ARG T 2 443 ? 17.357 3.556 -29.723 1.00 52.89 ? 444 ARG b NH2 1 +ATOM 31848 N N . THR T 2 444 ? 24.387 7.978 -26.706 1.00 46.96 ? 445 THR b N 1 +ATOM 31849 C CA . THR T 2 444 ? 25.740 8.399 -26.398 1.00 46.20 ? 445 THR b CA 1 +ATOM 31850 C C . THR T 2 444 ? 26.755 7.498 -27.100 1.00 51.07 ? 445 THR b C 1 +ATOM 31851 O O . THR T 2 444 ? 26.417 6.468 -27.685 1.00 50.54 ? 445 THR b O 1 +ATOM 31852 C CB . THR T 2 444 ? 25.992 8.414 -24.890 1.00 52.41 ? 445 THR b CB 1 +ATOM 31853 O OG1 . THR T 2 444 ? 27.283 8.976 -24.652 1.00 50.81 ? 445 THR b OG1 1 +ATOM 31854 C CG2 . THR T 2 444 ? 25.974 6.996 -24.308 1.00 41.95 ? 445 THR b CG2 1 +ATOM 31855 N N . SER T 2 445 ? 28.024 7.915 -27.056 1.00 50.55 ? 446 SER b N 1 +ATOM 31856 C CA . SER T 2 445 ? 29.090 7.211 -27.770 1.00 47.22 ? 446 SER b CA 1 +ATOM 31857 C C . SER T 2 445 ? 29.841 6.286 -26.817 1.00 42.56 ? 446 SER b C 1 +ATOM 31858 O O . SER T 2 445 ? 29.528 6.260 -25.625 1.00 46.09 ? 446 SER b O 1 +ATOM 31859 C CB . SER T 2 445 ? 30.039 8.234 -28.390 1.00 50.56 ? 446 SER b CB 1 +ATOM 31860 O OG . SER T 2 445 ? 30.705 8.910 -27.350 1.00 48.43 ? 446 SER b OG 1 +ATOM 31861 N N . PRO T 2 446 ? 30.834 5.515 -27.277 1.00 51.88 ? 447 PRO b N 1 +ATOM 31862 C CA . PRO T 2 446 ? 31.623 4.732 -26.307 1.00 45.42 ? 447 PRO b CA 1 +ATOM 31863 C C . PRO T 2 446 ? 32.316 5.593 -25.272 1.00 45.40 ? 447 PRO b C 1 +ATOM 31864 O O . PRO T 2 446 ? 32.566 5.120 -24.154 1.00 52.06 ? 447 PRO b O 1 +ATOM 31865 C CB . PRO T 2 446 ? 32.628 3.981 -27.190 1.00 47.57 ? 447 PRO b CB 1 +ATOM 31866 C CG . PRO T 2 446 ? 32.031 3.965 -28.528 1.00 49.59 ? 447 PRO b CG 1 +ATOM 31867 C CD . PRO T 2 446 ? 31.231 5.208 -28.665 1.00 46.16 ? 447 PRO b CD 1 +ATOM 31868 N N . ARG T 2 447 ? 32.639 6.845 -25.612 1.00 52.08 ? 448 ARG b N 1 +ATOM 31869 C CA . ARG T 2 447 ? 33.206 7.760 -24.625 1.00 48.21 ? 448 ARG b CA 1 +ATOM 31870 C C . ARG T 2 447 ? 32.244 7.973 -23.463 1.00 47.36 ? 448 ARG b C 1 +ATOM 31871 O O . ARG T 2 447 ? 32.647 7.942 -22.300 1.00 46.39 ? 448 ARG b O 1 +ATOM 31872 C CB . ARG T 2 447 ? 33.555 9.102 -25.283 1.00 49.75 ? 448 ARG b CB 1 +ATOM 31873 C CG . ARG T 2 447 ? 34.457 10.014 -24.431 1.00 48.74 ? 448 ARG b CG 1 +ATOM 31874 C CD . ARG T 2 447 ? 34.733 11.350 -25.097 1.00 45.88 ? 448 ARG b CD 1 +ATOM 31875 N NE . ARG T 2 447 ? 35.625 11.282 -26.250 1.00 48.45 ? 448 ARG b NE 1 +ATOM 31876 C CZ . ARG T 2 447 ? 36.949 11.211 -26.187 1.00 52.10 ? 448 ARG b CZ 1 +ATOM 31877 N NH1 . ARG T 2 447 ? 37.586 11.135 -25.030 1.00 49.01 ? 448 ARG b NH1 1 +ATOM 31878 N NH2 . ARG T 2 447 ? 37.654 11.193 -27.321 1.00 49.23 ? 448 ARG b NH2 1 +ATOM 31879 N N . GLY T 2 448 ? 30.968 8.220 -23.766 1.00 48.69 ? 449 GLY b N 1 +ATOM 31880 C CA . GLY T 2 448 ? 29.968 8.309 -22.710 1.00 43.94 ? 449 GLY b CA 1 +ATOM 31881 C C . GLY T 2 448 ? 29.810 7.016 -21.925 1.00 54.53 ? 449 GLY b C 1 +ATOM 31882 O O . GLY T 2 448 ? 29.766 7.026 -20.688 1.00 49.19 ? 449 GLY b O 1 +ATOM 31883 N N . TRP T 2 449 ? 29.726 5.874 -22.633 1.00 50.08 ? 450 TRP b N 1 +ATOM 31884 C CA . TRP T 2 449 ? 29.506 4.606 -21.933 1.00 47.64 ? 450 TRP b CA 1 +ATOM 31885 C C . TRP T 2 449 ? 30.716 4.227 -21.086 1.00 44.23 ? 450 TRP b C 1 +ATOM 31886 O O . TRP T 2 449 ? 30.559 3.736 -19.963 1.00 45.85 ? 450 TRP b O 1 +ATOM 31887 C CB . TRP T 2 449 ? 29.151 3.473 -22.921 1.00 47.49 ? 450 TRP b CB 1 +ATOM 31888 C CG . TRP T 2 449 ? 27.718 3.518 -23.409 1.00 50.09 ? 450 TRP b CG 1 +ATOM 31889 C CD1 . TRP T 2 449 ? 27.278 3.707 -24.710 1.00 45.23 ? 450 TRP b CD1 1 +ATOM 31890 C CD2 . TRP T 2 449 ? 26.543 3.430 -22.597 1.00 39.84 ? 450 TRP b CD2 1 +ATOM 31891 N NE1 . TRP T 2 449 ? 25.897 3.727 -24.737 1.00 45.18 ? 450 TRP b NE1 1 +ATOM 31892 C CE2 . TRP T 2 449 ? 25.429 3.576 -23.450 1.00 44.14 ? 450 TRP b CE2 1 +ATOM 31893 C CE3 . TRP T 2 449 ? 26.326 3.235 -21.227 1.00 45.22 ? 450 TRP b CE3 1 +ATOM 31894 C CZ2 . TRP T 2 449 ? 24.119 3.535 -22.974 1.00 44.56 ? 450 TRP b CZ2 1 +ATOM 31895 C CZ3 . TRP T 2 449 ? 25.017 3.192 -20.758 1.00 51.69 ? 450 TRP b CZ3 1 +ATOM 31896 C CH2 . TRP T 2 449 ? 23.930 3.343 -21.633 1.00 40.51 ? 450 TRP b CH2 1 +ATOM 31897 N N . PHE T 2 450 ? 31.929 4.422 -21.608 1.00 45.00 ? 451 PHE b N 1 +ATOM 31898 C CA . PHE T 2 450 ? 33.111 4.068 -20.826 1.00 47.53 ? 451 PHE b CA 1 +ATOM 31899 C C . PHE T 2 450 ? 33.141 4.855 -19.524 1.00 51.20 ? 451 PHE b C 1 +ATOM 31900 O O . PHE T 2 450 ? 33.414 4.307 -18.454 1.00 49.51 ? 451 PHE b O 1 +ATOM 31901 C CB . PHE T 2 450 ? 34.390 4.340 -21.623 1.00 48.86 ? 451 PHE b CB 1 +ATOM 31902 C CG . PHE T 2 450 ? 35.628 4.022 -20.852 1.00 49.87 ? 451 PHE b CG 1 +ATOM 31903 C CD1 . PHE T 2 450 ? 36.126 4.919 -19.904 1.00 45.45 ? 451 PHE b CD1 1 +ATOM 31904 C CD2 . PHE T 2 450 ? 36.278 2.800 -21.039 1.00 52.16 ? 451 PHE b CD2 1 +ATOM 31905 C CE1 . PHE T 2 450 ? 37.246 4.614 -19.154 1.00 57.19 ? 451 PHE b CE1 1 +ATOM 31906 C CE2 . PHE T 2 450 ? 37.410 2.475 -20.298 1.00 55.44 ? 451 PHE b CE2 1 +ATOM 31907 C CZ . PHE T 2 450 ? 37.896 3.386 -19.341 1.00 57.76 ? 451 PHE b CZ 1 +ATOM 31908 N N . THR T 2 451 ? 32.872 6.158 -19.616 1.00 51.14 ? 452 THR b N 1 +ATOM 31909 C CA . THR T 2 451 ? 32.987 7.047 -18.473 1.00 51.63 ? 452 THR b CA 1 +ATOM 31910 C C . THR T 2 451 ? 31.942 6.709 -17.420 1.00 43.75 ? 452 THR b C 1 +ATOM 31911 O O . THR T 2 451 ? 32.250 6.652 -16.223 1.00 49.53 ? 452 THR b O 1 +ATOM 31912 C CB . THR T 2 451 ? 32.856 8.511 -18.957 1.00 47.60 ? 452 THR b CB 1 +ATOM 31913 O OG1 . THR T 2 451 ? 33.930 8.811 -19.865 1.00 49.72 ? 452 THR b OG1 1 +ATOM 31914 C CG2 . THR T 2 451 ? 32.876 9.494 -17.806 1.00 44.23 ? 452 THR b CG2 1 +ATOM 31915 N N . PHE T 2 452 ? 30.695 6.490 -17.848 1.00 50.25 ? 453 PHE b N 1 +ATOM 31916 C CA . PHE T 2 452 ? 29.636 6.123 -16.912 1.00 53.01 ? 453 PHE b CA 1 +ATOM 31917 C C . PHE T 2 452 ? 30.007 4.873 -16.123 1.00 46.91 ? 453 PHE b C 1 +ATOM 31918 O O . PHE T 2 452 ? 29.977 4.871 -14.885 1.00 48.56 ? 453 PHE b O 1 +ATOM 31919 C CB . PHE T 2 452 ? 28.320 5.908 -17.658 1.00 44.07 ? 453 PHE b CB 1 +ATOM 31920 C CG . PHE T 2 452 ? 27.226 5.349 -16.782 1.00 49.55 ? 453 PHE b CG 1 +ATOM 31921 C CD1 . PHE T 2 452 ? 26.785 6.059 -15.665 1.00 43.82 ? 453 PHE b CD1 1 +ATOM 31922 C CD2 . PHE T 2 452 ? 26.645 4.118 -17.068 1.00 45.82 ? 453 PHE b CD2 1 +ATOM 31923 C CE1 . PHE T 2 452 ? 25.785 5.546 -14.834 1.00 47.74 ? 453 PHE b CE1 1 +ATOM 31924 C CE2 . PHE T 2 452 ? 25.637 3.606 -16.253 1.00 51.17 ? 453 PHE b CE2 1 +ATOM 31925 C CZ . PHE T 2 452 ? 25.204 4.322 -15.138 1.00 45.76 ? 453 PHE b CZ 1 +ATOM 31926 N N . ALA T 2 453 ? 30.372 3.800 -16.826 1.00 53.13 ? 454 ALA b N 1 +ATOM 31927 C CA . ALA T 2 453 ? 30.650 2.533 -16.147 1.00 52.55 ? 454 ALA b CA 1 +ATOM 31928 C C . ALA T 2 453 ? 31.821 2.670 -15.190 1.00 48.94 ? 454 ALA b C 1 +ATOM 31929 O O . ALA T 2 453 ? 31.798 2.119 -14.085 1.00 49.68 ? 454 ALA b O 1 +ATOM 31930 C CB . ALA T 2 453 ? 30.933 1.421 -17.173 1.00 47.50 ? 454 ALA b CB 1 +ATOM 31931 N N . HIS T 2 454 ? 32.854 3.414 -15.585 1.00 46.59 ? 455 HIS b N 1 +ATOM 31932 C CA . HIS T 2 454 ? 34.038 3.451 -14.739 1.00 45.63 ? 455 HIS b CA 1 +ATOM 31933 C C . HIS T 2 454 ? 33.876 4.405 -13.556 1.00 47.20 ? 455 HIS b C 1 +ATOM 31934 O O . HIS T 2 454 ? 34.465 4.153 -12.499 1.00 52.30 ? 455 HIS b O 1 +ATOM 31935 C CB . HIS T 2 454 ? 35.271 3.747 -15.604 1.00 43.28 ? 455 HIS b CB 1 +ATOM 31936 C CG . HIS T 2 454 ? 35.722 2.540 -16.376 1.00 51.78 ? 455 HIS b CG 1 +ATOM 31937 N ND1 . HIS T 2 454 ? 35.181 2.191 -17.593 1.00 47.42 ? 455 HIS b ND1 1 +ATOM 31938 C CD2 . HIS T 2 454 ? 36.578 1.540 -16.046 1.00 46.08 ? 455 HIS b CD2 1 +ATOM 31939 C CE1 . HIS T 2 454 ? 35.719 1.052 -18.001 1.00 50.52 ? 455 HIS b CE1 1 +ATOM 31940 N NE2 . HIS T 2 454 ? 36.572 0.636 -17.081 1.00 48.40 ? 455 HIS b NE2 1 +ATOM 31941 N N . ALA T 2 455 ? 33.054 5.459 -13.686 1.00 42.72 ? 456 ALA b N 1 +ATOM 31942 C CA . ALA T 2 455 ? 32.754 6.292 -12.529 1.00 45.55 ? 456 ALA b CA 1 +ATOM 31943 C C . ALA T 2 455 ? 31.891 5.535 -11.528 1.00 49.75 ? 456 ALA b C 1 +ATOM 31944 O O . ALA T 2 455 ? 32.094 5.637 -10.316 1.00 50.19 ? 456 ALA b O 1 +ATOM 31945 C CB . ALA T 2 455 ? 32.065 7.595 -12.969 1.00 48.36 ? 456 ALA b CB 1 +ATOM 31946 N N . VAL T 2 456 ? 30.932 4.756 -12.014 1.00 46.32 ? 457 VAL b N 1 +ATOM 31947 C CA . VAL T 2 456 ? 30.075 4.004 -11.107 1.00 49.68 ? 457 VAL b CA 1 +ATOM 31948 C C . VAL T 2 456 ? 30.863 2.902 -10.407 1.00 45.85 ? 457 VAL b C 1 +ATOM 31949 O O . VAL T 2 456 ? 30.680 2.664 -9.211 1.00 48.74 ? 457 VAL b O 1 +ATOM 31950 C CB . VAL T 2 456 ? 28.867 3.442 -11.884 1.00 55.91 ? 457 VAL b CB 1 +ATOM 31951 C CG1 . VAL T 2 456 ? 28.139 2.393 -11.061 1.00 44.93 ? 457 VAL b CG1 1 +ATOM 31952 C CG2 . VAL T 2 456 ? 27.936 4.584 -12.286 1.00 50.31 ? 457 VAL b CG2 1 +ATOM 31953 N N . PHE T 2 457 ? 31.743 2.206 -11.137 1.00 52.55 ? 458 PHE b N 1 +ATOM 31954 C CA . PHE T 2 457 ? 32.535 1.137 -10.521 1.00 48.53 ? 458 PHE b CA 1 +ATOM 31955 C C . PHE T 2 457 ? 33.501 1.697 -9.481 1.00 50.36 ? 458 PHE b C 1 +ATOM 31956 O O . PHE T 2 457 ? 33.739 1.062 -8.444 1.00 51.79 ? 458 PHE b O 1 +ATOM 31957 C CB . PHE T 2 457 ? 33.320 0.356 -11.582 1.00 44.76 ? 458 PHE b CB 1 +ATOM 31958 C CG . PHE T 2 457 ? 32.470 -0.537 -12.460 1.00 57.28 ? 458 PHE b CG 1 +ATOM 31959 C CD1 . PHE T 2 457 ? 31.356 -1.188 -11.949 1.00 49.82 ? 458 PHE b CD1 1 +ATOM 31960 C CD2 . PHE T 2 457 ? 32.806 -0.727 -13.807 1.00 50.36 ? 458 PHE b CD2 1 +ATOM 31961 C CE1 . PHE T 2 457 ? 30.579 -2.009 -12.761 1.00 70.98 ? 458 PHE b CE1 1 +ATOM 31962 C CE2 . PHE T 2 457 ? 32.039 -1.542 -14.629 1.00 55.46 ? 458 PHE b CE2 1 +ATOM 31963 C CZ . PHE T 2 457 ? 30.920 -2.191 -14.106 1.00 59.30 ? 458 PHE b CZ 1 +ATOM 31964 N N . ALA T 2 458 ? 34.084 2.873 -9.759 1.00 49.08 ? 459 ALA b N 1 +ATOM 31965 C CA . ALA T 2 458 ? 35.026 3.475 -8.823 1.00 54.44 ? 459 ALA b CA 1 +ATOM 31966 C C . ALA T 2 458 ? 34.326 3.833 -7.517 1.00 48.87 ? 459 ALA b C 1 +ATOM 31967 O O . ALA T 2 458 ? 34.812 3.519 -6.422 1.00 48.15 ? 459 ALA b O 1 +ATOM 31968 C CB . ALA T 2 458 ? 35.688 4.707 -9.461 1.00 42.75 ? 459 ALA b CB 1 +ATOM 31969 N N . LEU T 2 459 ? 33.169 4.488 -7.619 1.00 51.61 ? 460 LEU b N 1 +ATOM 31970 C CA . LEU T 2 459 ? 32.373 4.786 -6.433 1.00 50.64 ? 460 LEU b CA 1 +ATOM 31971 C C . LEU T 2 459 ? 32.061 3.511 -5.649 1.00 51.70 ? 460 LEU b C 1 +ATOM 31972 O O . LEU T 2 459 ? 32.257 3.453 -4.430 1.00 56.94 ? 460 LEU b O 1 +ATOM 31973 C CB . LEU T 2 459 ? 31.098 5.517 -6.860 1.00 45.75 ? 460 LEU b CB 1 +ATOM 31974 C CG . LEU T 2 459 ? 30.297 6.201 -5.750 1.00 67.97 ? 460 LEU b CG 1 +ATOM 31975 C CD1 . LEU T 2 459 ? 31.157 7.237 -5.049 1.00 54.45 ? 460 LEU b CD1 1 +ATOM 31976 C CD2 . LEU T 2 459 ? 29.056 6.845 -6.312 1.00 53.01 ? 460 LEU b CD2 1 +ATOM 31977 N N . LEU T 2 460 ? 31.602 2.462 -6.340 1.00 54.66 ? 461 LEU b N 1 +ATOM 31978 C CA . LEU T 2 460 ? 31.257 1.218 -5.655 1.00 49.62 ? 461 LEU b CA 1 +ATOM 31979 C C . LEU T 2 460 ? 32.480 0.582 -5.009 1.00 52.70 ? 461 LEU b C 1 +ATOM 31980 O O . LEU T 2 460 ? 32.387 -0.001 -3.921 1.00 43.86 ? 461 LEU b O 1 +ATOM 31981 C CB . LEU T 2 460 ? 30.607 0.232 -6.631 1.00 54.34 ? 461 LEU b CB 1 +ATOM 31982 C CG . LEU T 2 460 ? 29.145 0.518 -6.990 1.00 64.99 ? 461 LEU b CG 1 +ATOM 31983 C CD1 . LEU T 2 460 ? 28.650 -0.449 -8.069 1.00 57.49 ? 461 LEU b CD1 1 +ATOM 31984 C CD2 . LEU T 2 460 ? 28.250 0.473 -5.744 1.00 57.14 ? 461 LEU b CD2 1 +ATOM 31985 N N . PHE T 2 461 ? 33.636 0.668 -5.671 1.00 46.88 ? 462 PHE b N 1 +ATOM 31986 C CA . PHE T 2 461 ? 34.837 0.089 -5.085 1.00 47.34 ? 462 PHE b CA 1 +ATOM 31987 C C . PHE T 2 461 ? 35.330 0.859 -3.851 1.00 54.51 ? 462 PHE b C 1 +ATOM 31988 O O . PHE T 2 461 ? 35.993 0.265 -2.997 1.00 52.30 ? 462 PHE b O 1 +ATOM 31989 C CB . PHE T 2 461 ? 35.907 -0.027 -6.175 1.00 49.69 ? 462 PHE b CB 1 +ATOM 31990 C CG . PHE T 2 461 ? 35.860 -1.350 -6.903 1.00 47.00 ? 462 PHE b CG 1 +ATOM 31991 C CD1 . PHE T 2 461 ? 34.726 -1.718 -7.623 1.00 44.92 ? 462 PHE b CD1 1 +ATOM 31992 C CD2 . PHE T 2 461 ? 36.914 -2.255 -6.811 1.00 54.28 ? 462 PHE b CD2 1 +ATOM 31993 C CE1 . PHE T 2 461 ? 34.664 -2.937 -8.282 1.00 49.38 ? 462 PHE b CE1 1 +ATOM 31994 C CE2 . PHE T 2 461 ? 36.853 -3.491 -7.457 1.00 48.23 ? 462 PHE b CE2 1 +ATOM 31995 C CZ . PHE T 2 461 ? 35.720 -3.831 -8.196 1.00 45.96 ? 462 PHE b CZ 1 +ATOM 31996 N N . PHE T 2 462 ? 34.992 2.146 -3.720 1.00 49.09 ? 463 PHE b N 1 +ATOM 31997 C CA . PHE T 2 462 ? 35.274 2.853 -2.478 1.00 56.67 ? 463 PHE b CA 1 +ATOM 31998 C C . PHE T 2 462 ? 34.629 2.142 -1.293 1.00 56.47 ? 463 PHE b C 1 +ATOM 31999 O O . PHE T 2 462 ? 35.272 1.941 -0.252 1.00 50.61 ? 463 PHE b O 1 +ATOM 32000 C CB . PHE T 2 462 ? 34.812 4.319 -2.581 1.00 54.45 ? 463 PHE b CB 1 +ATOM 32001 C CG . PHE T 2 462 ? 34.653 5.001 -1.252 1.00 56.76 ? 463 PHE b CG 1 +ATOM 32002 C CD1 . PHE T 2 462 ? 35.762 5.303 -0.477 1.00 49.73 ? 463 PHE b CD1 1 +ATOM 32003 C CD2 . PHE T 2 462 ? 33.389 5.318 -0.772 1.00 50.41 ? 463 PHE b CD2 1 +ATOM 32004 C CE1 . PHE T 2 462 ? 35.619 5.921 0.766 1.00 56.99 ? 463 PHE b CE1 1 +ATOM 32005 C CE2 . PHE T 2 462 ? 33.227 5.939 0.467 1.00 57.94 ? 463 PHE b CE2 1 +ATOM 32006 C CZ . PHE T 2 462 ? 34.347 6.244 1.246 1.00 52.65 ? 463 PHE b CZ 1 +ATOM 32007 N N . PHE T 2 463 ? 33.372 1.711 -1.446 1.00 58.23 ? 464 PHE b N 1 +ATOM 32008 C CA . PHE T 2 463 ? 32.755 0.909 -0.394 1.00 59.42 ? 464 PHE b CA 1 +ATOM 32009 C C . PHE T 2 463 ? 33.561 -0.360 -0.122 1.00 57.24 ? 464 PHE b C 1 +ATOM 32010 O O . PHE T 2 463 ? 33.796 -0.720 1.039 1.00 49.19 ? 464 PHE b O 1 +ATOM 32011 C CB . PHE T 2 463 ? 31.303 0.555 -0.746 1.00 51.08 ? 464 PHE b CB 1 +ATOM 32012 C CG . PHE T 2 463 ? 30.567 -0.112 0.394 1.00 47.24 ? 464 PHE b CG 1 +ATOM 32013 C CD1 . PHE T 2 463 ? 29.987 0.649 1.392 1.00 53.45 ? 464 PHE b CD1 1 +ATOM 32014 C CD2 . PHE T 2 463 ? 30.507 -1.490 0.489 1.00 49.66 ? 464 PHE b CD2 1 +ATOM 32015 C CE1 . PHE T 2 463 ? 29.341 0.043 2.462 1.00 57.99 ? 464 PHE b CE1 1 +ATOM 32016 C CE2 . PHE T 2 463 ? 29.868 -2.107 1.558 1.00 58.07 ? 464 PHE b CE2 1 +ATOM 32017 C CZ . PHE T 2 463 ? 29.284 -1.340 2.549 1.00 54.96 ? 464 PHE b CZ 1 +ATOM 32018 N N . GLY T 2 464 ? 33.988 -1.054 -1.171 1.00 49.53 ? 465 GLY b N 1 +ATOM 32019 C CA . GLY T 2 464 ? 34.818 -2.232 -0.967 1.00 51.34 ? 465 GLY b CA 1 +ATOM 32020 C C . GLY T 2 464 ? 36.048 -1.934 -0.125 1.00 49.67 ? 465 GLY b C 1 +ATOM 32021 O O . GLY T 2 464 ? 36.406 -2.698 0.770 1.00 49.97 ? 465 GLY b O 1 +ATOM 32022 N N . HIS T 2 465 ? 36.723 -0.820 -0.420 1.00 53.00 ? 466 HIS b N 1 +ATOM 32023 C CA . HIS T 2 465 ? 37.894 -0.431 0.354 1.00 51.12 ? 466 HIS b CA 1 +ATOM 32024 C C . HIS T 2 465 ? 37.541 -0.269 1.830 1.00 50.57 ? 466 HIS b C 1 +ATOM 32025 O O . HIS T 2 465 ? 38.229 -0.791 2.715 1.00 54.45 ? 466 HIS b O 1 +ATOM 32026 C CB . HIS T 2 465 ? 38.470 0.871 -0.210 1.00 49.78 ? 466 HIS b CB 1 +ATOM 32027 C CG . HIS T 2 465 ? 39.472 1.522 0.693 1.00 55.13 ? 466 HIS b CG 1 +ATOM 32028 N ND1 . HIS T 2 465 ? 40.591 0.861 1.157 1.00 54.86 ? 466 HIS b ND1 1 +ATOM 32029 C CD2 . HIS T 2 465 ? 39.502 2.752 1.251 1.00 49.34 ? 466 HIS b CD2 1 +ATOM 32030 C CE1 . HIS T 2 465 ? 41.277 1.666 1.945 1.00 54.12 ? 466 HIS b CE1 1 +ATOM 32031 N NE2 . HIS T 2 465 ? 40.639 2.820 2.020 1.00 57.71 ? 466 HIS b NE2 1 +ATOM 32032 N N . ILE T 2 466 ? 36.460 0.454 2.103 1.00 52.41 ? 467 ILE b N 1 +ATOM 32033 C CA . ILE T 2 466 ? 36.016 0.705 3.467 1.00 51.11 ? 467 ILE b CA 1 +ATOM 32034 C C . ILE T 2 466 ? 35.688 -0.602 4.159 1.00 56.60 ? 467 ILE b C 1 +ATOM 32035 O O . ILE T 2 466 ? 36.091 -0.839 5.310 1.00 55.88 ? 467 ILE b O 1 +ATOM 32036 C CB . ILE T 2 466 ? 34.797 1.654 3.451 1.00 58.20 ? 467 ILE b CB 1 +ATOM 32037 C CG1 . ILE T 2 466 ? 35.219 3.081 3.113 1.00 53.65 ? 467 ILE b CG1 1 +ATOM 32038 C CG2 . ILE T 2 466 ? 34.017 1.566 4.752 1.00 62.00 ? 467 ILE b CG2 1 +ATOM 32039 C CD1 . ILE T 2 466 ? 36.514 3.547 3.788 1.00 57.07 ? 467 ILE b CD1 1 +ATOM 32040 N N A TRP T 2 467 ? 34.931 -1.463 3.475 0.40 50.11 ? 468 TRP b N 1 +ATOM 32041 N N B TRP T 2 467 ? 34.971 -1.487 3.460 0.60 50.05 ? 468 TRP b N 1 +ATOM 32042 C CA A TRP T 2 467 ? 34.504 -2.727 4.062 0.40 46.31 ? 468 TRP b CA 1 +ATOM 32043 C CA B TRP T 2 467 ? 34.520 -2.733 4.069 0.60 46.19 ? 468 TRP b CA 1 +ATOM 32044 C C A TRP T 2 467 ? 35.695 -3.612 4.407 0.40 50.60 ? 468 TRP b C 1 +ATOM 32045 C C B TRP T 2 467 ? 35.696 -3.640 4.405 0.60 50.58 ? 468 TRP b C 1 +ATOM 32046 O O A TRP T 2 467 ? 35.773 -4.164 5.505 0.40 52.97 ? 468 TRP b O 1 +ATOM 32047 O O B TRP T 2 467 ? 35.784 -4.173 5.514 0.60 53.09 ? 468 TRP b O 1 +ATOM 32048 C CB A TRP T 2 467 ? 33.559 -3.460 3.110 0.40 48.58 ? 468 TRP b CB 1 +ATOM 32049 C CB B TRP T 2 467 ? 33.543 -3.462 3.147 0.60 48.58 ? 468 TRP b CB 1 +ATOM 32050 C CG A TRP T 2 467 ? 33.244 -4.820 3.643 0.40 46.00 ? 468 TRP b CG 1 +ATOM 32051 C CG B TRP T 2 467 ? 33.249 -4.811 3.666 0.60 45.87 ? 468 TRP b CG 1 +ATOM 32052 C CD1 A TRP T 2 467 ? 33.734 -6.014 3.199 0.40 48.75 ? 468 TRP b CD1 1 +ATOM 32053 C CD1 B TRP T 2 467 ? 33.746 -6.001 3.208 0.60 48.79 ? 468 TRP b CD1 1 +ATOM 32054 C CD2 A TRP T 2 467 ? 32.411 -5.116 4.757 0.40 50.52 ? 468 TRP b CD2 1 +ATOM 32055 C CD2 B TRP T 2 467 ? 32.428 -5.123 4.786 0.60 50.55 ? 468 TRP b CD2 1 +ATOM 32056 N NE1 A TRP T 2 467 ? 33.240 -7.034 3.952 0.40 47.14 ? 468 TRP b NE1 1 +ATOM 32057 N NE1 B TRP T 2 467 ? 33.270 -7.032 3.966 0.60 47.11 ? 468 TRP b NE1 1 +ATOM 32058 C CE2 A TRP T 2 467 ? 32.424 -6.515 4.923 0.40 50.04 ? 468 TRP b CE2 1 +ATOM 32059 C CE2 B TRP T 2 467 ? 32.457 -6.525 4.945 0.60 50.07 ? 468 TRP b CE2 1 +ATOM 32060 C CE3 A TRP T 2 467 ? 31.644 -4.333 5.633 0.40 52.19 ? 468 TRP b CE3 1 +ATOM 32061 C CE3 B TRP T 2 467 ? 31.663 -4.355 5.674 0.60 52.33 ? 468 TRP b CE3 1 +ATOM 32062 C CZ2 A TRP T 2 467 ? 31.708 -7.158 5.938 0.40 48.89 ? 468 TRP b CZ2 1 +ATOM 32063 C CZ2 B TRP T 2 467 ? 31.751 -7.176 5.953 0.60 48.80 ? 468 TRP b CZ2 1 +ATOM 32064 C CZ3 A TRP T 2 467 ? 30.925 -4.980 6.645 0.40 50.71 ? 468 TRP b CZ3 1 +ATOM 32065 C CZ3 B TRP T 2 467 ? 30.962 -5.006 6.676 0.60 50.59 ? 468 TRP b CZ3 1 +ATOM 32066 C CH2 A TRP T 2 467 ? 30.962 -6.376 6.777 0.40 52.52 ? 468 TRP b CH2 1 +ATOM 32067 C CH2 B TRP T 2 467 ? 31.008 -6.403 6.802 0.60 52.50 ? 468 TRP b CH2 1 +ATOM 32068 N N . HIS T 2 468 ? 36.614 -3.825 3.464 1.00 47.93 ? 469 HIS b N 1 +ATOM 32069 C CA . HIS T 2 468 ? 37.729 -4.716 3.749 1.00 53.10 ? 469 HIS b CA 1 +ATOM 32070 C C . HIS T 2 468 ? 38.792 -4.056 4.629 1.00 51.11 ? 469 HIS b C 1 +ATOM 32071 O O . HIS T 2 468 ? 39.439 -4.750 5.419 1.00 58.50 ? 469 HIS b O 1 +ATOM 32072 C CB . HIS T 2 468 ? 38.323 -5.257 2.443 1.00 43.69 ? 469 HIS b CB 1 +ATOM 32073 C CG . HIS T 2 468 ? 37.409 -6.200 1.733 1.00 54.01 ? 469 HIS b CG 1 +ATOM 32074 N ND1 . HIS T 2 468 ? 37.107 -7.451 2.228 1.00 50.77 ? 469 HIS b ND1 1 +ATOM 32075 C CD2 . HIS T 2 468 ? 36.688 -6.062 0.592 1.00 49.58 ? 469 HIS b CD2 1 +ATOM 32076 C CE1 . HIS T 2 468 ? 36.263 -8.054 1.409 1.00 57.52 ? 469 HIS b CE1 1 +ATOM 32077 N NE2 . HIS T 2 468 ? 35.993 -7.237 0.407 1.00 55.31 ? 469 HIS b NE2 1 +ATOM 32078 N N . GLY T 2 469 ? 38.981 -2.738 4.529 1.00 56.48 ? 470 GLY b N 1 +ATOM 32079 C CA . GLY T 2 469 ? 39.805 -2.048 5.515 1.00 49.99 ? 470 GLY b CA 1 +ATOM 32080 C C . GLY T 2 469 ? 39.285 -2.241 6.928 1.00 55.90 ? 470 GLY b C 1 +ATOM 32081 O O . GLY T 2 469 ? 40.038 -2.589 7.843 1.00 55.48 ? 470 GLY b O 1 +ATOM 32082 N N . ALA T 2 470 ? 37.978 -2.042 7.119 1.00 52.59 ? 471 ALA b N 1 +ATOM 32083 C CA . ALA T 2 470 ? 37.386 -2.274 8.431 1.00 51.62 ? 471 ALA b CA 1 +ATOM 32084 C C . ALA T 2 470 ? 37.655 -3.693 8.910 1.00 57.28 ? 471 ALA b C 1 +ATOM 32085 O O . ALA T 2 470 ? 38.034 -3.901 10.065 1.00 64.25 ? 471 ALA b O 1 +ATOM 32086 C CB . ALA T 2 470 ? 35.884 -1.992 8.400 1.00 52.23 ? 471 ALA b CB 1 +ATOM 32087 N N . ARG T 2 471 ? 37.460 -4.688 8.039 1.00 54.42 ? 472 ARG b N 1 +ATOM 32088 C CA . ARG T 2 471 ? 37.657 -6.070 8.458 1.00 51.03 ? 472 ARG b CA 1 +ATOM 32089 C C . ARG T 2 471 ? 39.098 -6.334 8.851 1.00 58.08 ? 472 ARG b C 1 +ATOM 32090 O O . ARG T 2 471 ? 39.357 -7.144 9.751 1.00 57.99 ? 472 ARG b O 1 +ATOM 32091 C CB . ARG T 2 471 ? 37.255 -7.051 7.360 1.00 57.60 ? 472 ARG b CB 1 +ATOM 32092 C CG . ARG T 2 471 ? 35.760 -7.166 7.138 1.00 71.73 ? 472 ARG b CG 1 +ATOM 32093 C CD . ARG T 2 471 ? 35.284 -8.612 6.953 1.00 65.25 ? 472 ARG b CD 1 +ATOM 32094 N NE . ARG T 2 471 ? 36.322 -9.561 6.573 1.00 52.35 ? 472 ARG b NE 1 +ATOM 32095 C CZ . ARG T 2 471 ? 36.427 -10.763 7.120 1.00 55.39 ? 472 ARG b CZ 1 +ATOM 32096 N NH1 . ARG T 2 471 ? 35.571 -11.173 8.046 1.00 53.99 ? 472 ARG b NH1 1 +ATOM 32097 N NH2 . ARG T 2 471 ? 37.424 -11.563 6.754 1.00 55.95 ? 472 ARG b NH2 1 +ATOM 32098 N N . THR T 2 472 ? 40.048 -5.675 8.191 1.00 53.51 ? 473 THR b N 1 +ATOM 32099 C CA . THR T 2 472 ? 41.449 -5.894 8.531 1.00 57.97 ? 473 THR b CA 1 +ATOM 32100 C C . THR T 2 472 ? 41.762 -5.357 9.925 1.00 59.25 ? 473 THR b C 1 +ATOM 32101 O O . THR T 2 472 ? 42.330 -6.067 10.762 1.00 61.04 ? 473 THR b O 1 +ATOM 32102 C CB . THR T 2 472 ? 42.350 -5.243 7.483 1.00 53.84 ? 473 THR b CB 1 +ATOM 32103 O OG1 . THR T 2 472 ? 42.055 -5.798 6.200 1.00 58.21 ? 473 THR b OG1 1 +ATOM 32104 C CG2 . THR T 2 472 ? 43.816 -5.486 7.814 1.00 53.99 ? 473 THR b CG2 1 +ATOM 32105 N N . LEU T 2 473 ? 41.371 -4.112 10.199 1.00 58.08 ? 474 LEU b N 1 +ATOM 32106 C CA . LEU T 2 473 ? 41.711 -3.460 11.454 1.00 62.41 ? 474 LEU b CA 1 +ATOM 32107 C C . LEU T 2 473 ? 40.821 -3.875 12.618 1.00 63.11 ? 474 LEU b C 1 +ATOM 32108 O O . LEU T 2 473 ? 41.161 -3.570 13.763 1.00 61.81 ? 474 LEU b O 1 +ATOM 32109 C CB . LEU T 2 473 ? 41.647 -1.942 11.268 1.00 53.87 ? 474 LEU b CB 1 +ATOM 32110 C CG . LEU T 2 473 ? 42.613 -1.465 10.191 1.00 54.24 ? 474 LEU b CG 1 +ATOM 32111 C CD1 . LEU T 2 473 ? 42.389 -0.010 9.892 1.00 47.75 ? 474 LEU b CD1 1 +ATOM 32112 C CD2 . LEU T 2 473 ? 44.057 -1.732 10.592 1.00 59.67 ? 474 LEU b CD2 1 +ATOM 32113 N N . PHE T 2 474 ? 39.691 -4.544 12.367 1.00 60.19 ? 475 PHE b N 1 +ATOM 32114 C CA . PHE T 2 474 ? 38.787 -4.963 13.434 1.00 53.20 ? 475 PHE b CA 1 +ATOM 32115 C C . PHE T 2 474 ? 38.577 -6.465 13.389 1.00 55.38 ? 475 PHE b C 1 +ATOM 32116 O O . PHE T 2 474 ? 37.538 -6.972 13.815 1.00 61.67 ? 475 PHE b O 1 +ATOM 32117 C CB . PHE T 2 474 ? 37.446 -4.232 13.361 1.00 54.46 ? 475 PHE b CB 1 +ATOM 32118 C CG . PHE T 2 474 ? 37.555 -2.756 13.577 1.00 53.10 ? 475 PHE b CG 1 +ATOM 32119 C CD1 . PHE T 2 474 ? 38.067 -1.935 12.587 1.00 52.89 ? 475 PHE b CD1 1 +ATOM 32120 C CD2 . PHE T 2 474 ? 37.167 -2.185 14.777 1.00 61.88 ? 475 PHE b CD2 1 +ATOM 32121 C CE1 . PHE T 2 474 ? 38.173 -0.569 12.795 1.00 59.99 ? 475 PHE b CE1 1 +ATOM 32122 C CE2 . PHE T 2 474 ? 37.268 -0.824 14.979 1.00 56.22 ? 475 PHE b CE2 1 +ATOM 32123 C CZ . PHE T 2 474 ? 37.772 -0.023 13.999 1.00 54.48 ? 475 PHE b CZ 1 +ATOM 32124 N N . ARG T 2 475 ? 39.574 -7.187 12.878 1.00 61.57 ? 476 ARG b N 1 +ATOM 32125 C CA . ARG T 2 475 ? 39.451 -8.634 12.767 1.00 67.86 ? 476 ARG b CA 1 +ATOM 32126 C C . ARG T 2 475 ? 39.117 -9.258 14.108 1.00 57.97 ? 476 ARG b C 1 +ATOM 32127 O O . ARG T 2 475 ? 38.335 -10.210 14.168 1.00 68.66 ? 476 ARG b O 1 +ATOM 32128 C CB . ARG T 2 475 ? 40.737 -9.222 12.181 1.00 56.10 ? 476 ARG b CB 1 +ATOM 32129 C CG . ARG T 2 475 ? 40.780 -10.717 12.180 1.00 66.84 ? 476 ARG b CG 1 +ATOM 32130 C CD . ARG T 2 475 ? 42.073 -11.211 11.564 1.00 73.98 ? 476 ARG b CD 1 +ATOM 32131 N NE . ARG T 2 475 ? 42.517 -12.458 12.171 1.00 96.48 ? 476 ARG b NE 1 +ATOM 32132 C CZ . ARG T 2 475 ? 43.202 -13.401 11.537 1.00 130.21 ? 476 ARG b CZ 1 +ATOM 32133 N NH1 . ARG T 2 475 ? 43.524 -13.281 10.256 1.00 121.69 ? 476 ARG b NH1 1 +ATOM 32134 N NH2 . ARG T 2 475 ? 43.565 -14.498 12.203 1.00 131.63 ? 476 ARG b NH2 1 +ATOM 32135 N N . ASP T 2 476 ? 39.640 -8.692 15.198 1.00 60.88 ? 477 ASP b N 1 +ATOM 32136 C CA . ASP T 2 476 ? 39.427 -9.266 16.526 1.00 59.62 ? 477 ASP b CA 1 +ATOM 32137 C C . ASP T 2 476 ? 37.978 -9.171 16.995 1.00 70.97 ? 477 ASP b C 1 +ATOM 32138 O O . ASP T 2 476 ? 37.561 -9.981 17.827 1.00 65.19 ? 477 ASP b O 1 +ATOM 32139 C CB . ASP T 2 476 ? 40.328 -8.588 17.560 1.00 56.99 ? 477 ASP b CB 1 +ATOM 32140 C CG . ASP T 2 476 ? 40.187 -7.065 17.552 1.00 61.36 ? 477 ASP b CG 1 +ATOM 32141 O OD1 . ASP T 2 476 ? 40.162 -6.461 16.463 1.00 70.08 ? 477 ASP b OD1 1 +ATOM 32142 O OD2 . ASP T 2 476 ? 40.090 -6.465 18.630 1.00 77.06 ? 477 ASP b OD2 1 +ATOM 32143 N N A VAL T 2 477 ? 37.213 -8.186 16.524 0.40 57.10 ? 478 VAL b N 1 +ATOM 32144 N N B VAL T 2 477 ? 37.186 -8.232 16.476 0.60 57.06 ? 478 VAL b N 1 +ATOM 32145 C CA A VAL T 2 477 ? 35.852 -8.030 17.011 0.40 57.37 ? 478 VAL b CA 1 +ATOM 32146 C CA B VAL T 2 477 ? 35.806 -8.089 16.925 0.60 57.21 ? 478 VAL b CA 1 +ATOM 32147 C C A VAL T 2 477 ? 34.822 -8.323 15.935 0.40 62.74 ? 478 VAL b C 1 +ATOM 32148 C C B VAL T 2 477 ? 34.804 -8.389 15.808 0.60 62.58 ? 478 VAL b C 1 +ATOM 32149 O O A VAL T 2 477 ? 33.644 -8.012 16.125 0.40 73.01 ? 478 VAL b O 1 +ATOM 32150 O O B VAL T 2 477 ? 33.642 -8.017 15.918 0.60 73.81 ? 478 VAL b O 1 +ATOM 32151 C CB A VAL T 2 477 ? 35.607 -6.633 17.621 0.40 63.74 ? 478 VAL b CB 1 +ATOM 32152 C CB B VAL T 2 477 ? 35.548 -6.703 17.543 0.60 63.69 ? 478 VAL b CB 1 +ATOM 32153 C CG1 A VAL T 2 477 ? 36.390 -6.445 18.930 0.40 60.75 ? 478 VAL b CG1 1 +ATOM 32154 C CG1 B VAL T 2 477 ? 36.272 -6.565 18.886 0.60 60.60 ? 478 VAL b CG1 1 +ATOM 32155 C CG2 A VAL T 2 477 ? 35.932 -5.535 16.625 0.40 61.39 ? 478 VAL b CG2 1 +ATOM 32156 C CG2 B VAL T 2 477 ? 35.960 -5.588 16.583 0.60 61.43 ? 478 VAL b CG2 1 +ATOM 32157 N N A PHE T 2 478 ? 35.252 -8.929 14.814 0.40 60.54 ? 479 PHE b N 1 +ATOM 32158 N N B PHE T 2 478 ? 35.222 -9.083 14.744 0.60 60.64 ? 479 PHE b N 1 +ATOM 32159 C CA A PHE T 2 478 ? 34.340 -9.190 13.698 0.40 72.39 ? 479 PHE b CA 1 +ATOM 32160 C CA B PHE T 2 478 ? 34.323 -9.330 13.612 0.60 72.68 ? 479 PHE b CA 1 +ATOM 32161 C C A PHE T 2 478 ? 33.084 -9.925 14.148 0.40 73.82 ? 479 PHE b C 1 +ATOM 32162 C C B PHE T 2 478 ? 33.092 -10.152 14.000 0.60 73.59 ? 479 PHE b C 1 +ATOM 32163 O O A PHE T 2 478 ? 31.973 -9.610 13.701 0.40 64.64 ? 479 PHE b O 1 +ATOM 32164 O O B PHE T 2 478 ? 32.039 -10.026 13.361 0.60 66.08 ? 479 PHE b O 1 +ATOM 32165 C CB A PHE T 2 478 ? 35.063 -9.997 12.612 0.40 70.71 ? 479 PHE b CB 1 +ATOM 32166 C CB B PHE T 2 478 ? 35.077 -10.037 12.487 0.60 70.80 ? 479 PHE b CB 1 +ATOM 32167 C CG A PHE T 2 478 ? 34.181 -10.406 11.447 0.40 86.27 ? 479 PHE b CG 1 +ATOM 32168 C CG B PHE T 2 478 ? 34.207 -10.427 11.298 0.60 87.01 ? 479 PHE b CG 1 +ATOM 32169 C CD1 A PHE T 2 478 ? 33.731 -9.466 10.525 0.40 83.02 ? 479 PHE b CD1 1 +ATOM 32170 C CD1 B PHE T 2 478 ? 33.759 -9.467 10.390 0.60 83.26 ? 479 PHE b CD1 1 +ATOM 32171 C CD2 A PHE T 2 478 ? 33.831 -11.735 11.256 0.40 77.17 ? 479 PHE b CD2 1 +ATOM 32172 C CD2 B PHE T 2 478 ? 33.876 -11.756 11.068 0.60 77.07 ? 479 PHE b CD2 1 +ATOM 32173 C CE1 A PHE T 2 478 ? 32.932 -9.845 9.448 0.40 71.93 ? 479 PHE b CE1 1 +ATOM 32174 C CE1 B PHE T 2 478 ? 32.974 -9.830 9.278 0.60 71.43 ? 479 PHE b CE1 1 +ATOM 32175 C CE2 A PHE T 2 478 ? 33.037 -12.114 10.187 0.40 79.78 ? 479 PHE b CE2 1 +ATOM 32176 C CE2 B PHE T 2 478 ? 33.096 -12.123 9.967 0.60 80.16 ? 479 PHE b CE2 1 +ATOM 32177 C CZ A PHE T 2 478 ? 32.589 -11.168 9.277 0.40 72.33 ? 479 PHE b CZ 1 +ATOM 32178 C CZ B PHE T 2 478 ? 32.645 -11.152 9.069 0.60 71.36 ? 479 PHE b CZ 1 +ATOM 32179 N N A SER T 2 479 ? 33.230 -10.893 15.034 0.40 69.78 ? 480 SER b N 1 +ATOM 32180 N N B SER T 2 479 ? 33.195 -10.998 15.024 0.60 69.61 ? 480 SER b N 1 +ATOM 32181 C CA A SER T 2 479 ? 32.121 -11.769 15.404 0.40 73.90 ? 480 SER b CA 1 +ATOM 32182 C CA B SER T 2 479 ? 32.084 -11.845 15.442 0.60 73.93 ? 480 SER b CA 1 +ATOM 32183 C C A SER T 2 479 ? 31.302 -11.231 16.573 0.40 74.21 ? 480 SER b C 1 +ATOM 32184 C C B SER T 2 479 ? 31.290 -11.263 16.603 0.60 74.29 ? 480 SER b C 1 +ATOM 32185 O O A SER T 2 479 ? 30.344 -11.891 16.997 0.40 76.81 ? 480 SER b O 1 +ATOM 32186 O O B SER T 2 479 ? 30.311 -11.881 17.032 0.60 77.05 ? 480 SER b O 1 +ATOM 32187 C CB A SER T 2 479 ? 32.628 -13.179 15.747 0.40 73.47 ? 480 SER b CB 1 +ATOM 32188 C CB B SER T 2 479 ? 32.588 -13.245 15.819 0.60 73.37 ? 480 SER b CB 1 +ATOM 32189 O OG A SER T 2 479 ? 32.911 -13.914 14.567 0.40 74.20 ? 480 SER b OG 1 +ATOM 32190 O OG B SER T 2 479 ? 33.034 -13.948 14.670 0.60 74.67 ? 480 SER b OG 1 +ATOM 32191 N N A GLY T 2 480 ? 31.645 -10.066 17.099 0.40 63.06 ? 481 GLY b N 1 +ATOM 32192 N N B GLY T 2 480 ? 31.674 -10.091 17.110 0.60 62.91 ? 481 GLY b N 1 +ATOM 32193 C CA A GLY T 2 480 ? 31.006 -9.513 18.279 0.40 69.40 ? 481 GLY b CA 1 +ATOM 32194 C CA B GLY T 2 480 ? 31.045 -9.523 18.286 0.60 69.48 ? 481 GLY b CA 1 +ATOM 32195 C C A GLY T 2 480 ? 32.050 -8.990 19.250 0.40 70.46 ? 481 GLY b C 1 +ATOM 32196 C C B GLY T 2 480 ? 32.063 -8.973 19.268 0.60 70.47 ? 481 GLY b C 1 +ATOM 32197 O O A GLY T 2 480 ? 33.225 -9.352 19.206 0.40 71.61 ? 481 GLY b O 1 +ATOM 32198 O O B GLY T 2 480 ? 33.245 -9.318 19.200 0.60 71.59 ? 481 GLY b O 1 +ATOM 32199 N N A ILE T 2 481 ? 31.613 -8.115 20.145 0.40 67.78 ? 482 ILE b N 1 +ATOM 32200 N N B ILE T 2 481 ? 31.627 -8.113 20.180 0.60 67.69 ? 482 ILE b N 1 +ATOM 32201 C CA A ILE T 2 481 ? 32.540 -7.524 21.103 0.40 77.43 ? 482 ILE b CA 1 +ATOM 32202 C CA B ILE T 2 481 ? 32.556 -7.524 21.134 0.60 77.56 ? 482 ILE b CA 1 +ATOM 32203 C C A ILE T 2 481 ? 32.710 -8.447 22.304 0.40 80.04 ? 482 ILE b C 1 +ATOM 32204 C C B ILE T 2 481 ? 32.719 -8.452 22.332 0.60 80.09 ? 482 ILE b C 1 +ATOM 32205 O O A ILE T 2 481 ? 31.886 -9.332 22.572 0.40 74.20 ? 482 ILE b O 1 +ATOM 32206 O O B ILE T 2 481 ? 31.869 -9.304 22.616 0.60 74.07 ? 482 ILE b O 1 +ATOM 32207 C CB A ILE T 2 481 ? 32.084 -6.125 21.540 0.40 72.34 ? 482 ILE b CB 1 +ATOM 32208 C CB B ILE T 2 481 ? 32.097 -6.124 21.570 0.60 72.32 ? 482 ILE b CB 1 +ATOM 32209 C CG1 A ILE T 2 481 ? 30.797 -6.225 22.359 0.40 65.91 ? 482 ILE b CG1 1 +ATOM 32210 C CG1 B ILE T 2 481 ? 30.842 -6.225 22.434 0.60 65.70 ? 482 ILE b CG1 1 +ATOM 32211 C CG2 A ILE T 2 481 ? 31.909 -5.240 20.326 0.40 69.63 ? 482 ILE b CG2 1 +ATOM 32212 C CG2 B ILE T 2 481 ? 31.844 -5.261 20.350 0.60 69.64 ? 482 ILE b CG2 1 +ATOM 32213 C CD1 A ILE T 2 481 ? 30.381 -4.922 22.980 0.40 73.32 ? 482 ILE b CD1 1 +ATOM 32214 C CD1 B ILE T 2 481 ? 30.351 -4.903 22.935 0.60 73.38 ? 482 ILE b CD1 1 +ATOM 32215 N N A ASP T 2 482 ? 33.796 -8.218 23.038 0.40 81.41 ? 483 ASP b N 1 +ATOM 32216 N N B ASP T 2 482 ? 33.832 -8.273 23.041 0.60 81.44 ? 483 ASP b N 1 +ATOM 32217 C CA A ASP T 2 482 ? 34.171 -9.100 24.134 0.40 93.73 ? 483 ASP b CA 1 +ATOM 32218 C CA B ASP T 2 482 ? 34.184 -9.173 24.132 0.60 93.93 ? 483 ASP b CA 1 +ATOM 32219 C C A ASP T 2 482 ? 33.029 -9.218 25.139 0.40 84.02 ? 483 ASP b C 1 +ATOM 32220 C C B ASP T 2 482 ? 33.040 -9.264 25.136 0.60 83.92 ? 483 ASP b C 1 +ATOM 32221 O O A ASP T 2 482 ? 32.509 -8.193 25.602 0.40 75.87 ? 483 ASP b O 1 +ATOM 32222 O O B ASP T 2 482 ? 32.531 -8.228 25.584 0.60 75.42 ? 483 ASP b O 1 +ATOM 32223 C CB A ASP T 2 482 ? 35.429 -8.582 24.829 0.40 101.99 ? 483 ASP b CB 1 +ATOM 32224 C CB B ASP T 2 482 ? 35.458 -8.700 24.828 0.60 102.29 ? 483 ASP b CB 1 +ATOM 32225 C CG A ASP T 2 482 ? 35.914 -9.517 25.915 0.40 103.60 ? 483 ASP b CG 1 +ATOM 32226 C CG B ASP T 2 482 ? 35.889 -9.634 25.941 0.60 103.65 ? 483 ASP b CG 1 +ATOM 32227 O OD1 A ASP T 2 482 ? 35.979 -10.742 25.664 0.40 107.12 ? 483 ASP b OD1 1 +ATOM 32228 O OD1 B ASP T 2 482 ? 36.030 -10.851 25.683 0.60 107.27 ? 483 ASP b OD1 1 +ATOM 32229 O OD2 A ASP T 2 482 ? 36.237 -9.023 27.014 0.40 113.14 ? 483 ASP b OD2 1 +ATOM 32230 O OD2 B ASP T 2 482 ? 36.091 -9.147 27.070 0.60 113.66 ? 483 ASP b OD2 1 +ATOM 32231 N N A PRO T 2 483 ? 32.592 -10.435 25.474 0.40 92.47 ? 484 PRO b N 1 +ATOM 32232 N N B PRO T 2 483 ? 32.585 -10.470 25.486 0.60 92.60 ? 484 PRO b N 1 +ATOM 32233 C CA A PRO T 2 483 ? 31.478 -10.579 26.425 0.40 88.35 ? 484 PRO b CA 1 +ATOM 32234 C CA B PRO T 2 483 ? 31.464 -10.580 26.432 0.60 88.28 ? 484 PRO b CA 1 +ATOM 32235 C C A PRO T 2 483 ? 31.770 -9.997 27.793 0.40 92.36 ? 484 PRO b C 1 +ATOM 32236 C C B PRO T 2 483 ? 31.766 -9.981 27.790 0.60 92.27 ? 484 PRO b C 1 +ATOM 32237 O O A PRO T 2 483 ? 30.828 -9.599 28.490 0.40 94.78 ? 484 PRO b O 1 +ATOM 32238 O O B PRO T 2 483 ? 30.834 -9.555 28.485 0.60 94.79 ? 484 PRO b O 1 +ATOM 32239 C CB A PRO T 2 483 ? 31.272 -12.098 26.488 0.40 84.86 ? 484 PRO b CB 1 +ATOM 32240 C CB B PRO T 2 483 ? 31.226 -12.094 26.517 0.60 84.75 ? 484 PRO b CB 1 +ATOM 32241 C CG A PRO T 2 483 ? 31.797 -12.597 25.186 0.40 82.32 ? 484 PRO b CG 1 +ATOM 32242 C CG B PRO T 2 483 ? 31.795 -12.639 25.247 0.60 82.26 ? 484 PRO b CG 1 +ATOM 32243 C CD A PRO T 2 483 ? 32.971 -11.721 24.867 0.40 87.03 ? 484 PRO b CD 1 +ATOM 32244 C CD B PRO T 2 483 ? 32.985 -11.781 24.947 0.60 87.04 ? 484 PRO b CD 1 +ATOM 32245 N N . GLU T 2 484 ? 33.039 -9.923 28.188 1.00 90.74 ? 485 GLU b N 1 +ATOM 32246 C CA . GLU T 2 484 ? 33.417 -9.282 29.442 1.00 123.92 ? 485 GLU b CA 1 +ATOM 32247 C C . GLU T 2 484 ? 34.093 -7.940 29.183 1.00 124.99 ? 485 GLU b C 1 +ATOM 32248 O O . GLU T 2 484 ? 35.164 -7.673 29.738 1.00 123.91 ? 485 GLU b O 1 +ATOM 32249 C CB . GLU T 2 484 ? 34.354 -10.177 30.256 1.00 121.52 ? 485 GLU b CB 1 +ATOM 32250 C CG . GLU T 2 484 ? 33.807 -11.549 30.578 1.00 125.07 ? 485 GLU b CG 1 +ATOM 32251 C CD . GLU T 2 484 ? 34.671 -12.633 29.993 1.00 137.75 ? 485 GLU b CD 1 +ATOM 32252 O OE1 . GLU T 2 484 ? 35.485 -12.309 29.102 1.00 137.33 ? 485 GLU b OE1 1 +ATOM 32253 O OE2 . GLU T 2 484 ? 34.547 -13.798 30.426 1.00 150.19 ? 485 GLU b OE2 1 +ATOM 32254 N N A LEU T 2 485 ? 33.478 -7.095 28.350 0.40 132.71 ? 486 LEU b N 1 +ATOM 32255 N N B LEU T 2 485 ? 33.492 -7.102 28.338 0.60 132.86 ? 486 LEU b N 1 +ATOM 32256 C CA A LEU T 2 485 ? 34.058 -5.792 28.048 0.40 135.43 ? 486 LEU b CA 1 +ATOM 32257 C CA B LEU T 2 485 ? 34.080 -5.801 28.043 0.60 135.53 ? 486 LEU b CA 1 +ATOM 32258 C C A LEU T 2 485 ? 34.117 -4.960 29.319 0.40 142.76 ? 486 LEU b C 1 +ATOM 32259 C C B LEU T 2 485 ? 34.125 -4.966 29.313 0.60 142.80 ? 486 LEU b C 1 +ATOM 32260 O O A LEU T 2 485 ? 33.089 -4.728 29.964 0.40 139.09 ? 486 LEU b O 1 +ATOM 32261 O O B LEU T 2 485 ? 33.094 -4.749 29.958 0.60 139.05 ? 486 LEU b O 1 +ATOM 32262 C CB A LEU T 2 485 ? 33.249 -5.068 26.967 0.40 126.64 ? 486 LEU b CB 1 +ATOM 32263 C CB B LEU T 2 485 ? 33.283 -5.082 26.952 0.60 126.64 ? 486 LEU b CB 1 +ATOM 32264 C CG A LEU T 2 485 ? 34.047 -4.236 25.945 0.40 128.86 ? 486 LEU b CG 1 +ATOM 32265 C CG B LEU T 2 485 ? 34.082 -4.250 25.934 0.60 129.03 ? 486 LEU b CG 1 +ATOM 32266 C CD1 A LEU T 2 485 ? 33.129 -3.545 24.938 0.40 118.60 ? 486 LEU b CD1 1 +ATOM 32267 C CD1 B LEU T 2 485 ? 33.162 -3.591 24.910 0.60 118.74 ? 486 LEU b CD1 1 +ATOM 32268 C CD2 A LEU T 2 485 ? 34.964 -3.213 26.612 0.40 123.64 ? 486 LEU b CD2 1 +ATOM 32269 C CD2 B LEU T 2 485 ? 34.959 -3.200 26.608 0.60 123.56 ? 486 LEU b CD2 1 +ATOM 32270 N N . SER T 2 486 ? 35.330 -4.520 29.672 1.00 135.84 ? 487 SER b N 1 +ATOM 32271 C CA . SER T 2 486 ? 35.607 -3.728 30.865 1.00 142.46 ? 487 SER b CA 1 +ATOM 32272 C C . SER T 2 486 ? 34.679 -2.522 30.956 1.00 146.38 ? 487 SER b C 1 +ATOM 32273 O O . SER T 2 486 ? 34.843 -1.554 30.200 1.00 148.10 ? 487 SER b O 1 +ATOM 32274 C CB . SER T 2 486 ? 37.070 -3.278 30.857 1.00 128.97 ? 487 SER b CB 1 +ATOM 32275 O OG . SER T 2 486 ? 37.357 -2.439 31.960 1.00 161.01 ? 487 SER b OG 1 +ATOM 32276 N N . PRO T 2 487 ? 33.694 -2.544 31.860 1.00 131.94 ? 488 PRO b N 1 +ATOM 32277 C CA . PRO T 2 487 ? 32.749 -1.417 31.944 1.00 135.09 ? 488 PRO b CA 1 +ATOM 32278 C C . PRO T 2 487 ? 33.421 -0.093 32.254 1.00 141.41 ? 488 PRO b C 1 +ATOM 32279 O O . PRO T 2 487 ? 32.863 0.960 31.923 1.00 116.24 ? 488 PRO b O 1 +ATOM 32280 C CB . PRO T 2 487 ? 31.792 -1.840 33.070 1.00 121.42 ? 488 PRO b CB 1 +ATOM 32281 C CG . PRO T 2 487 ? 31.978 -3.328 33.200 1.00 132.57 ? 488 PRO b CG 1 +ATOM 32282 C CD . PRO T 2 487 ? 33.417 -3.574 32.874 1.00 127.07 ? 488 PRO b CD 1 +ATOM 32283 N N . GLU T 2 488 ? 34.605 -0.117 32.873 1.00 173.24 ? 489 GLU b N 1 +ATOM 32284 C CA . GLU T 2 488 ? 35.390 1.090 33.095 1.00 163.44 ? 489 GLU b CA 1 +ATOM 32285 C C . GLU T 2 488 ? 36.121 1.552 31.838 1.00 162.96 ? 489 GLU b C 1 +ATOM 32286 O O . GLU T 2 488 ? 36.519 2.721 31.763 1.00 159.96 ? 489 GLU b O 1 +ATOM 32287 C CB . GLU T 2 488 ? 36.405 0.855 34.219 1.00 174.44 ? 489 GLU b CB 1 +ATOM 32288 C CG . GLU T 2 488 ? 35.803 0.302 35.506 1.00 165.90 ? 489 GLU b CG 1 +ATOM 32289 C CD . GLU T 2 488 ? 36.812 0.230 36.641 1.00 172.58 ? 489 GLU b CD 1 +ATOM 32290 O OE1 . GLU T 2 488 ? 38.010 0.494 36.395 1.00 168.31 ? 489 GLU b OE1 1 +ATOM 32291 O OE2 . GLU T 2 488 ? 36.403 -0.088 37.779 1.00 164.63 ? 489 GLU b OE2 1 +ATOM 32292 N N . GLN T 2 489 ? 36.310 0.665 30.858 1.00 137.58 ? 490 GLN b N 1 +ATOM 32293 C CA . GLN T 2 489 ? 36.970 1.047 29.615 1.00 133.10 ? 490 GLN b CA 1 +ATOM 32294 C C . GLN T 2 489 ? 36.047 1.859 28.712 1.00 141.42 ? 490 GLN b C 1 +ATOM 32295 O O . GLN T 2 489 ? 36.525 2.667 27.902 1.00 120.32 ? 490 GLN b O 1 +ATOM 32296 C CB . GLN T 2 489 ? 37.466 -0.206 28.889 1.00 133.15 ? 490 GLN b CB 1 +ATOM 32297 C CG . GLN T 2 489 ? 37.884 0.019 27.444 1.00 122.24 ? 490 GLN b CG 1 +ATOM 32298 C CD . GLN T 2 489 ? 38.655 -1.144 26.876 1.00 127.01 ? 490 GLN b CD 1 +ATOM 32299 O OE1 . GLN T 2 489 ? 39.495 -1.740 27.556 1.00 139.73 ? 490 GLN b OE1 1 +ATOM 32300 N NE2 . GLN T 2 489 ? 38.373 -1.481 25.621 1.00 100.56 ? 490 GLN b NE2 1 +ATOM 32301 N N A VAL T 2 490 ? 34.731 1.670 28.838 0.40 137.29 ? 491 VAL b N 1 +ATOM 32302 N N B VAL T 2 490 ? 34.728 1.677 28.849 0.60 137.45 ? 491 VAL b N 1 +ATOM 32303 C CA A VAL T 2 490 ? 33.771 2.381 28.006 0.40 119.00 ? 491 VAL b CA 1 +ATOM 32304 C CA B VAL T 2 490 ? 33.767 2.382 28.012 0.60 118.97 ? 491 VAL b CA 1 +ATOM 32305 C C A VAL T 2 490 ? 33.101 3.545 28.735 0.40 121.95 ? 491 VAL b C 1 +ATOM 32306 C C B VAL T 2 490 ? 33.099 3.545 28.739 0.60 122.03 ? 491 VAL b C 1 +ATOM 32307 O O A VAL T 2 490 ? 32.484 4.400 28.079 0.40 116.92 ? 491 VAL b O 1 +ATOM 32308 O O B VAL T 2 490 ? 32.469 4.393 28.087 0.60 117.10 ? 491 VAL b O 1 +ATOM 32309 C CB A VAL T 2 490 ? 32.708 1.407 27.462 0.40 104.04 ? 491 VAL b CB 1 +ATOM 32310 C CB B VAL T 2 490 ? 32.696 1.409 27.484 0.60 103.99 ? 491 VAL b CB 1 +ATOM 32311 C CG1 A VAL T 2 490 ? 32.135 1.946 26.177 0.40 99.22 ? 491 VAL b CG1 1 +ATOM 32312 C CG1 B VAL T 2 490 ? 32.163 1.914 26.169 0.60 99.34 ? 491 VAL b CG1 1 +ATOM 32313 C CG2 A VAL T 2 490 ? 33.316 0.026 27.242 0.40 110.45 ? 491 VAL b CG2 1 +ATOM 32314 C CG2 B VAL T 2 490 ? 33.275 0.014 27.334 0.60 110.42 ? 491 VAL b CG2 1 +ATOM 32315 N N . GLU T 2 491 ? 33.212 3.617 30.057 1.00 126.75 ? 492 GLU b N 1 +ATOM 32316 C CA . GLU T 2 491 ? 32.657 4.727 30.814 1.00 131.35 ? 492 GLU b CA 1 +ATOM 32317 C C . GLU T 2 491 ? 33.715 5.803 31.011 1.00 132.72 ? 492 GLU b C 1 +ATOM 32318 O O . GLU T 2 491 ? 34.916 5.520 31.097 1.00 130.23 ? 492 GLU b O 1 +ATOM 32319 C CB . GLU T 2 491 ? 32.125 4.245 32.167 1.00 147.09 ? 492 GLU b CB 1 +ATOM 32320 C CG . GLU T 2 491 ? 30.875 3.379 32.064 1.00 138.78 ? 492 GLU b CG 1 +ATOM 32321 C CD . GLU T 2 491 ? 30.461 2.785 33.398 1.00 169.52 ? 492 GLU b CD 1 +ATOM 32322 O OE1 . GLU T 2 491 ? 30.608 3.476 34.431 1.00 179.95 ? 492 GLU b OE1 1 +ATOM 32323 O OE2 . GLU T 2 491 ? 29.997 1.623 33.412 1.00 151.79 ? 492 GLU b OE2 1 +ATOM 32324 N N A TRP T 2 492 ? 33.255 7.048 31.076 0.40 114.80 ? 493 TRP b N 1 +ATOM 32325 N N B TRP T 2 492 ? 33.256 7.049 31.078 0.60 114.87 ? 493 TRP b N 1 +ATOM 32326 C CA A TRP T 2 492 ? 34.160 8.172 31.268 0.40 108.61 ? 493 TRP b CA 1 +ATOM 32327 C CA B TRP T 2 492 ? 34.158 8.174 31.266 0.60 108.51 ? 493 TRP b CA 1 +ATOM 32328 C C A TRP T 2 492 ? 34.683 8.207 32.699 0.40 117.54 ? 493 TRP b C 1 +ATOM 32329 C C B TRP T 2 492 ? 34.677 8.222 32.699 0.60 117.53 ? 493 TRP b C 1 +ATOM 32330 O O A TRP T 2 492 ? 34.047 7.712 33.634 0.40 120.81 ? 493 TRP b O 1 +ATOM 32331 O O B TRP T 2 492 ? 34.039 7.735 33.635 0.60 120.80 ? 493 TRP b O 1 +ATOM 32332 C CB A TRP T 2 492 ? 33.454 9.492 30.950 0.40 108.99 ? 493 TRP b CB 1 +ATOM 32333 C CB B TRP T 2 492 ? 33.455 9.492 30.933 0.60 108.98 ? 493 TRP b CB 1 +ATOM 32334 C CG A TRP T 2 492 ? 33.131 9.704 29.496 0.40 103.84 ? 493 TRP b CG 1 +ATOM 32335 C CG B TRP T 2 492 ? 33.147 9.680 29.479 0.60 103.84 ? 493 TRP b CG 1 +ATOM 32336 C CD1 A TRP T 2 492 ? 33.833 10.460 28.600 0.40 100.39 ? 493 TRP b CD1 1 +ATOM 32337 C CD1 B TRP T 2 492 ? 33.863 10.413 28.577 0.60 100.38 ? 493 TRP b CD1 1 +ATOM 32338 C CD2 A TRP T 2 492 ? 32.016 9.161 28.776 0.40 98.77 ? 493 TRP b CD2 1 +ATOM 32339 C CD2 B TRP T 2 492 ? 32.036 9.132 28.758 0.60 98.76 ? 493 TRP b CD2 1 +ATOM 32340 N NE1 A TRP T 2 492 ? 33.227 10.419 27.368 0.40 96.87 ? 493 TRP b NE1 1 +ATOM 32341 N NE1 B TRP T 2 492 ? 33.270 10.354 27.340 0.60 96.95 ? 493 TRP b NE1 1 +ATOM 32342 C CE2 A TRP T 2 492 ? 32.110 9.627 27.449 0.40 97.78 ? 493 TRP b CE2 1 +ATOM 32343 C CE2 B TRP T 2 492 ? 32.147 9.573 27.424 0.60 97.85 ? 493 TRP b CE2 1 +ATOM 32344 C CE3 A TRP T 2 492 ? 30.951 8.323 29.124 0.40 95.23 ? 493 TRP b CE3 1 +ATOM 32345 C CE3 B TRP T 2 492 ? 30.961 8.308 29.111 0.60 95.12 ? 493 TRP b CE3 1 +ATOM 32346 C CZ2 A TRP T 2 492 ? 31.176 9.283 26.469 0.40 86.30 ? 493 TRP b CZ2 1 +ATOM 32347 C CZ2 B TRP T 2 492 ? 31.222 9.218 26.442 0.60 86.28 ? 493 TRP b CZ2 1 +ATOM 32348 C CZ3 A TRP T 2 492 ? 30.028 7.982 28.152 0.40 96.37 ? 493 TRP b CZ3 1 +ATOM 32349 C CZ3 B TRP T 2 492 ? 30.046 7.956 28.137 0.60 96.32 ? 493 TRP b CZ3 1 +ATOM 32350 C CH2 A TRP T 2 492 ? 30.145 8.462 26.841 0.40 92.67 ? 493 TRP b CH2 1 +ATOM 32351 C CH2 B TRP T 2 492 ? 30.181 8.412 26.817 0.60 92.85 ? 493 TRP b CH2 1 +ATOM 32352 N N . GLY T 2 493 ? 35.854 8.821 32.861 1.00 114.09 ? 494 GLY b N 1 +ATOM 32353 C CA . GLY T 2 493 ? 36.414 9.077 34.169 1.00 125.46 ? 494 GLY b CA 1 +ATOM 32354 C C . GLY T 2 493 ? 37.240 7.965 34.773 1.00 122.91 ? 494 GLY b C 1 +ATOM 32355 O O . GLY T 2 493 ? 37.659 8.096 35.931 1.00 122.18 ? 494 GLY b O 1 +ATOM 32356 N N . PHE T 2 494 ? 37.492 6.881 34.042 1.00 113.46 ? 495 PHE b N 1 +ATOM 32357 C CA . PHE T 2 494 ? 38.266 5.762 34.569 1.00 118.75 ? 495 PHE b CA 1 +ATOM 32358 C C . PHE T 2 494 ? 39.673 5.675 34.005 1.00 108.64 ? 495 PHE b C 1 +ATOM 32359 O O . PHE T 2 494 ? 40.610 5.382 34.750 1.00 115.91 ? 495 PHE b O 1 +ATOM 32360 C CB . PHE T 2 494 ? 37.534 4.439 34.316 1.00 121.79 ? 495 PHE b CB 1 +ATOM 32361 C CG . PHE T 2 494 ? 36.309 4.259 35.164 1.00 122.50 ? 495 PHE b CG 1 +ATOM 32362 C CD1 . PHE T 2 494 ? 36.398 3.668 36.414 1.00 130.68 ? 495 PHE b CD1 1 +ATOM 32363 C CD2 . PHE T 2 494 ? 35.070 4.693 34.719 1.00 119.96 ? 495 PHE b CD2 1 +ATOM 32364 C CE1 . PHE T 2 494 ? 35.273 3.505 37.201 1.00 126.63 ? 495 PHE b CE1 1 +ATOM 32365 C CE2 . PHE T 2 494 ? 33.942 4.534 35.501 1.00 128.25 ? 495 PHE b CE2 1 +ATOM 32366 C CZ . PHE T 2 494 ? 34.043 3.938 36.743 1.00 132.19 ? 495 PHE b CZ 1 +ATOM 32367 N N . TYR T 2 495 ? 39.854 5.919 32.711 1.00 126.93 ? 496 TYR b N 1 +ATOM 32368 C CA . TYR T 2 495 ? 41.168 5.887 32.085 1.00 128.07 ? 496 TYR b CA 1 +ATOM 32369 C C . TYR T 2 495 ? 41.525 7.278 31.584 1.00 105.76 ? 496 TYR b C 1 +ATOM 32370 O O . TYR T 2 495 ? 40.660 8.015 31.102 1.00 117.51 ? 496 TYR b O 1 +ATOM 32371 C CB . TYR T 2 495 ? 41.219 4.886 30.920 1.00 121.78 ? 496 TYR b CB 1 +ATOM 32372 C CG . TYR T 2 495 ? 40.960 3.449 31.315 1.00 129.18 ? 496 TYR b CG 1 +ATOM 32373 C CD1 . TYR T 2 495 ? 41.127 3.025 32.628 1.00 146.01 ? 496 TYR b CD1 1 +ATOM 32374 C CD2 . TYR T 2 495 ? 40.553 2.512 30.371 1.00 142.68 ? 496 TYR b CD2 1 +ATOM 32375 C CE1 . TYR T 2 495 ? 40.890 1.708 32.997 1.00 149.67 ? 496 TYR b CE1 1 +ATOM 32376 C CE2 . TYR T 2 495 ? 40.317 1.190 30.727 1.00 152.67 ? 496 TYR b CE2 1 +ATOM 32377 C CZ . TYR T 2 495 ? 40.486 0.794 32.042 1.00 158.46 ? 496 TYR b CZ 1 +ATOM 32378 O OH . TYR T 2 495 ? 40.251 -0.517 32.403 1.00 147.21 ? 496 TYR b OH 1 +ATOM 32379 N N . GLN T 2 496 ? 42.805 7.635 31.712 1.00 93.36 ? 497 GLN b N 1 +ATOM 32380 C CA . GLN T 2 496 ? 43.282 8.897 31.157 1.00 111.10 ? 497 GLN b CA 1 +ATOM 32381 C C . GLN T 2 496 ? 43.214 8.873 29.635 1.00 90.51 ? 497 GLN b C 1 +ATOM 32382 O O . GLN T 2 496 ? 42.588 9.738 29.013 1.00 89.56 ? 497 GLN b O 1 +ATOM 32383 C CB . GLN T 2 496 ? 44.711 9.176 31.630 1.00 100.77 ? 497 GLN b CB 1 +ATOM 32384 C CG . GLN T 2 496 ? 44.850 9.366 33.130 1.00 123.36 ? 497 GLN b CG 1 +ATOM 32385 C CD . GLN T 2 496 ? 46.301 9.434 33.582 1.00 136.87 ? 497 GLN b CD 1 +ATOM 32386 O OE1 . GLN T 2 496 ? 46.995 10.424 33.339 1.00 134.32 ? 497 GLN b OE1 1 +ATOM 32387 N NE2 . GLN T 2 496 ? 46.765 8.378 34.246 1.00 110.30 ? 497 GLN b NE2 1 +ATOM 32388 N N . LYS T 2 497 ? 43.860 7.884 29.025 1.00 111.72 ? 498 LYS b N 1 +ATOM 32389 C CA . LYS T 2 497 ? 43.873 7.694 27.581 1.00 115.74 ? 498 LYS b CA 1 +ATOM 32390 C C . LYS T 2 497 ? 42.866 6.604 27.218 1.00 120.11 ? 498 LYS b C 1 +ATOM 32391 O O . LYS T 2 497 ? 42.916 5.497 27.771 1.00 109.57 ? 498 LYS b O 1 +ATOM 32392 C CB . LYS T 2 497 ? 45.283 7.322 27.114 1.00 100.47 ? 498 LYS b CB 1 +ATOM 32393 C CG . LYS T 2 497 ? 45.475 7.246 25.606 1.00 89.59 ? 498 LYS b CG 1 +ATOM 32394 C CD . LYS T 2 497 ? 46.850 6.669 25.294 1.00 82.20 ? 498 LYS b CD 1 +ATOM 32395 C CE . LYS T 2 497 ? 47.133 6.633 23.799 1.00 86.76 ? 498 LYS b CE 1 +ATOM 32396 N NZ . LYS T 2 497 ? 48.513 6.142 23.493 1.00 79.92 ? 498 LYS b NZ 1 +ATOM 32397 N N . VAL T 2 498 ? 41.942 6.930 26.305 1.00 90.01 ? 499 VAL b N 1 +ATOM 32398 C CA . VAL T 2 498 ? 40.819 6.044 26.013 1.00 106.14 ? 499 VAL b CA 1 +ATOM 32399 C C . VAL T 2 498 ? 41.333 4.704 25.512 1.00 102.58 ? 499 VAL b C 1 +ATOM 32400 O O . VAL T 2 498 ? 42.151 4.635 24.584 1.00 103.92 ? 499 VAL b O 1 +ATOM 32401 C CB . VAL T 2 498 ? 39.874 6.695 24.989 1.00 98.84 ? 499 VAL b CB 1 +ATOM 32402 C CG1 . VAL T 2 498 ? 38.621 5.853 24.794 1.00 77.62 ? 499 VAL b CG1 1 +ATOM 32403 C CG2 . VAL T 2 498 ? 39.509 8.104 25.420 1.00 82.83 ? 499 VAL b CG2 1 +ATOM 32404 N N . GLY T 2 499 ? 40.859 3.629 26.130 1.00 109.53 ? 500 GLY b N 1 +ATOM 32405 C CA . GLY T 2 499 ? 41.249 2.291 25.714 1.00 123.09 ? 500 GLY b CA 1 +ATOM 32406 C C . GLY T 2 499 ? 42.471 1.788 26.453 1.00 130.45 ? 500 GLY b C 1 +ATOM 32407 O O . GLY T 2 499 ? 42.637 0.579 26.644 1.00 141.73 ? 500 GLY b O 1 +ATOM 32408 N N . ASP T 2 500 ? 43.326 2.715 26.889 1.00 127.06 ? 501 ASP b N 1 +ATOM 32409 C CA . ASP T 2 500 ? 44.586 2.376 27.542 1.00 124.01 ? 501 ASP b CA 1 +ATOM 32410 C C . ASP T 2 500 ? 44.313 2.011 28.999 1.00 132.52 ? 501 ASP b C 1 +ATOM 32411 O O . ASP T 2 500 ? 43.994 2.879 29.820 1.00 119.96 ? 501 ASP b O 1 +ATOM 32412 C CB . ASP T 2 500 ? 45.566 3.542 27.426 1.00 107.40 ? 501 ASP b CB 1 +ATOM 32413 C CG . ASP T 2 500 ? 47.009 3.091 27.420 1.00 99.65 ? 501 ASP b CG 1 +ATOM 32414 O OD1 . ASP T 2 500 ? 47.339 2.160 28.181 1.00 102.38 ? 501 ASP b OD1 1 +ATOM 32415 O OD2 . ASP T 2 500 ? 47.813 3.663 26.652 1.00 122.47 ? 501 ASP b OD2 1 +ATOM 32416 N N . VAL T 2 501 ? 44.431 0.718 29.318 1.00 134.30 ? 502 VAL b N 1 +ATOM 32417 C CA . VAL T 2 501 ? 44.159 0.247 30.670 1.00 131.05 ? 502 VAL b CA 1 +ATOM 32418 C C . VAL T 2 501 ? 45.255 0.667 31.639 1.00 124.88 ? 502 VAL b C 1 +ATOM 32419 O O . VAL T 2 501 ? 45.000 0.804 32.841 1.00 128.51 ? 502 VAL b O 1 +ATOM 32420 C CB . VAL T 2 501 ? 43.981 -1.284 30.669 1.00 126.08 ? 502 VAL b CB 1 +ATOM 32421 C CG1 . VAL T 2 501 ? 43.457 -1.761 32.006 1.00 123.83 ? 502 VAL b CG1 1 +ATOM 32422 C CG2 . VAL T 2 501 ? 43.045 -1.709 29.539 1.00 137.82 ? 502 VAL b CG2 1 +ATOM 32423 N N . THR T 2 502 ? 46.473 0.893 31.144 1.00 118.16 ? 503 THR b N 1 +ATOM 32424 C CA . THR T 2 502 ? 47.600 1.292 31.977 1.00 116.48 ? 503 THR b CA 1 +ATOM 32425 C C . THR T 2 502 ? 47.597 2.780 32.319 1.00 119.10 ? 503 THR b C 1 +ATOM 32426 O O . THR T 2 502 ? 48.655 3.319 32.666 1.00 110.37 ? 503 THR b O 1 +ATOM 32427 C CB . THR T 2 502 ? 48.921 0.929 31.291 1.00 118.81 ? 503 THR b CB 1 +ATOM 32428 O OG1 . THR T 2 502 ? 49.102 1.746 30.128 1.00 103.75 ? 503 THR b OG1 1 +ATOM 32429 C CG2 . THR T 2 502 ? 48.926 -0.535 30.882 1.00 99.45 ? 503 THR b CG2 1 +ATOM 32430 N N . THR T 2 503 ? 46.449 3.458 32.224 1.00 124.57 ? 504 THR b N 1 +ATOM 32431 C CA . THR T 2 503 ? 46.340 4.868 32.584 1.00 117.64 ? 504 THR b CA 1 +ATOM 32432 C C . THR T 2 503 ? 45.149 5.114 33.504 1.00 104.13 ? 504 THR b C 1 +ATOM 32433 O O . THR T 2 503 ? 44.588 6.212 33.516 1.00 89.45 ? 504 THR b O 1 +ATOM 32434 C CB . THR T 2 503 ? 46.241 5.755 31.339 1.00 118.03 ? 504 THR b CB 1 +ATOM 32435 O OG1 . THR T 2 503 ? 45.276 5.208 30.430 1.00 103.41 ? 504 THR b OG1 1 +ATOM 32436 C CG2 . THR T 2 503 ? 47.597 5.881 30.643 1.00 102.89 ? 504 THR b CG2 1 +ATOM 32437 N N . ARG T 2 504 ? 44.748 4.108 34.279 1.00 131.41 ? 505 ARG b N 1 +ATOM 32438 C CA . ARG T 2 504 ? 43.690 4.298 35.269 1.00 136.05 ? 505 ARG b CA 1 +ATOM 32439 C C . ARG T 2 504 ? 44.143 5.311 36.316 1.00 108.15 ? 505 ARG b C 1 +ATOM 32440 O O . ARG T 2 504 ? 43.416 6.246 36.641 1.00 108.48 ? 505 ARG b O 1 +ATOM 32441 C CB . ARG T 2 504 ? 43.304 2.974 35.942 1.00 118.29 ? 505 ARG b CB 1 +ATOM 32442 C CG . ARG T 2 504 ? 41.988 3.040 36.723 1.00 127.51 ? 505 ARG b CG 1 +ATOM 32443 C CD . ARG T 2 504 ? 42.183 2.960 38.242 1.00 150.50 ? 505 ARG b CD 1 +ATOM 32444 N NE . ARG T 2 504 ? 43.066 3.996 38.776 1.00 167.05 ? 505 ARG b NE 1 +ATOM 32445 C CZ . ARG T 2 504 ? 42.671 5.195 39.190 1.00 147.26 ? 505 ARG b CZ 1 +ATOM 32446 N NH1 . ARG T 2 504 ? 41.400 5.559 39.143 1.00 159.44 ? 505 ARG b NH1 1 +ATOM 32447 N NH2 . ARG T 2 504 ? 43.577 6.057 39.646 1.00 126.59 ? 505 ARG b NH2 1 +ATOM 32448 N N . ASN U 3 1 ? 10.197 23.253 53.782 1.00 143.59 ? 19 ASN c N 1 +ATOM 32449 C CA . ASN U 3 1 ? 11.504 22.725 54.158 1.00 122.23 ? 19 ASN c CA 1 +ATOM 32450 C C . ASN U 3 1 ? 12.162 21.948 53.003 1.00 145.01 ? 19 ASN c C 1 +ATOM 32451 O O . ASN U 3 1 ? 13.310 22.223 52.645 1.00 129.99 ? 19 ASN c O 1 +ATOM 32452 C CB . ASN U 3 1 ? 11.385 21.842 55.409 1.00 122.87 ? 19 ASN c CB 1 +ATOM 32453 C CG . ASN U 3 1 ? 10.245 20.835 55.319 1.00 139.25 ? 19 ASN c CG 1 +ATOM 32454 O OD1 . ASN U 3 1 ? 10.459 19.658 55.010 1.00 124.84 ? 19 ASN c OD1 1 +ATOM 32455 N ND2 . ASN U 3 1 ? 9.027 21.292 55.599 1.00 145.56 ? 19 ASN c ND2 1 +ATOM 32456 N N . SER U 3 2 ? 11.432 20.999 52.415 1.00 128.85 ? 20 SER c N 1 +ATOM 32457 C CA . SER U 3 2 ? 11.944 20.142 51.352 1.00 104.04 ? 20 SER c CA 1 +ATOM 32458 C C . SER U 3 2 ? 11.285 20.461 50.013 1.00 106.99 ? 20 SER c C 1 +ATOM 32459 O O . SER U 3 2 ? 10.103 20.814 49.951 1.00 82.55 ? 20 SER c O 1 +ATOM 32460 C CB . SER U 3 2 ? 11.716 18.665 51.683 1.00 107.31 ? 20 SER c CB 1 +ATOM 32461 O OG . SER U 3 2 ? 11.857 17.848 50.528 1.00 95.90 ? 20 SER c OG 1 +ATOM 32462 N N . ILE U 3 3 ? 12.063 20.311 48.935 1.00 83.95 ? 21 ILE c N 1 +ATOM 32463 C CA . ILE U 3 3 ? 11.525 20.549 47.597 1.00 100.92 ? 21 ILE c CA 1 +ATOM 32464 C C . ILE U 3 3 ? 10.436 19.536 47.257 1.00 98.08 ? 21 ILE c C 1 +ATOM 32465 O O . ILE U 3 3 ? 9.543 19.822 46.445 1.00 81.01 ? 21 ILE c O 1 +ATOM 32466 C CB . ILE U 3 3 ? 12.654 20.531 46.550 1.00 92.92 ? 21 ILE c CB 1 +ATOM 32467 C CG1 . ILE U 3 3 ? 12.162 21.109 45.223 1.00 103.84 ? 21 ILE c CG1 1 +ATOM 32468 C CG2 . ILE U 3 3 ? 13.163 19.120 46.338 1.00 87.91 ? 21 ILE c CG2 1 +ATOM 32469 C CD1 . ILE U 3 3 ? 13.197 21.049 44.130 1.00 96.11 ? 21 ILE c CD1 1 +ATOM 32470 N N . PHE U 3 4 ? 10.472 18.352 47.877 1.00 84.58 ? 22 PHE c N 1 +ATOM 32471 C CA . PHE U 3 4 ? 9.477 17.312 47.658 1.00 86.87 ? 22 PHE c CA 1 +ATOM 32472 C C . PHE U 3 4 ? 8.411 17.280 48.747 1.00 73.95 ? 22 PHE c C 1 +ATOM 32473 O O . PHE U 3 4 ? 7.712 16.273 48.897 1.00 80.70 ? 22 PHE c O 1 +ATOM 32474 C CB . PHE U 3 4 ? 10.162 15.950 47.543 1.00 76.77 ? 22 PHE c CB 1 +ATOM 32475 C CG . PHE U 3 4 ? 11.190 15.891 46.449 1.00 102.54 ? 22 PHE c CG 1 +ATOM 32476 C CD1 . PHE U 3 4 ? 10.837 16.165 45.130 1.00 78.16 ? 22 PHE c CD1 1 +ATOM 32477 C CD2 . PHE U 3 4 ? 12.511 15.577 46.736 1.00 83.29 ? 22 PHE c CD2 1 +ATOM 32478 C CE1 . PHE U 3 4 ? 11.782 16.123 44.121 1.00 89.97 ? 22 PHE c CE1 1 +ATOM 32479 C CE2 . PHE U 3 4 ? 13.462 15.532 45.725 1.00 109.95 ? 22 PHE c CE2 1 +ATOM 32480 C CZ . PHE U 3 4 ? 13.094 15.804 44.415 1.00 95.96 ? 22 PHE c CZ 1 +ATOM 32481 N N . ALA U 3 5 ? 8.260 18.365 49.501 1.00 79.33 ? 23 ALA c N 1 +ATOM 32482 C CA . ALA U 3 5 ? 7.352 18.330 50.639 1.00 91.04 ? 23 ALA c CA 1 +ATOM 32483 C C . ALA U 3 5 ? 5.894 18.253 50.206 1.00 75.54 ? 23 ALA c C 1 +ATOM 32484 O O . ALA U 3 5 ? 5.060 17.712 50.941 1.00 84.88 ? 23 ALA c O 1 +ATOM 32485 C CB . ALA U 3 5 ? 7.584 19.554 51.526 1.00 83.01 ? 23 ALA c CB 1 +ATOM 32486 N N . THR U 3 6 ? 5.561 18.777 49.030 1.00 84.40 ? 24 THR c N 1 +ATOM 32487 C CA . THR U 3 6 ? 4.167 18.854 48.625 1.00 70.57 ? 24 THR c CA 1 +ATOM 32488 C C . THR U 3 6 ? 3.785 17.629 47.804 1.00 73.58 ? 24 THR c C 1 +ATOM 32489 O O . THR U 3 6 ? 4.598 16.733 47.551 1.00 73.79 ? 24 THR c O 1 +ATOM 32490 C CB . THR U 3 6 ? 3.914 20.136 47.844 1.00 84.27 ? 24 THR c CB 1 +ATOM 32491 O OG1 . THR U 3 6 ? 4.368 19.960 46.492 1.00 81.00 ? 24 THR c OG1 1 +ATOM 32492 C CG2 . THR U 3 6 ? 4.665 21.295 48.493 1.00 75.67 ? 24 THR c CG2 1 +ATOM 32493 N N . ASN U 3 7 ? 2.521 17.568 47.396 1.00 71.30 ? 25 ASN c N 1 +ATOM 32494 C CA . ASN U 3 7 ? 2.087 16.507 46.499 1.00 87.67 ? 25 ASN c CA 1 +ATOM 32495 C C . ASN U 3 7 ? 2.255 16.892 45.021 1.00 85.55 ? 25 ASN c C 1 +ATOM 32496 O O . ASN U 3 7 ? 1.764 16.177 44.140 1.00 78.22 ? 25 ASN c O 1 +ATOM 32497 C CB . ASN U 3 7 ? 0.636 16.111 46.811 1.00 62.51 ? 25 ASN c CB 1 +ATOM 32498 C CG . ASN U 3 7 ? -0.352 17.237 46.569 1.00 78.49 ? 25 ASN c CG 1 +ATOM 32499 O OD1 . ASN U 3 7 ? 0.004 18.301 46.059 1.00 82.77 ? 25 ASN c OD1 1 +ATOM 32500 N ND2 . ASN U 3 7 ? -1.611 17.001 46.924 1.00 75.62 ? 25 ASN c ND2 1 +ATOM 32501 N N . ARG U 3 8 ? 2.943 17.996 44.742 1.00 79.79 ? 26 ARG c N 1 +ATOM 32502 C CA . ARG U 3 8 ? 3.115 18.501 43.378 1.00 68.27 ? 26 ARG c CA 1 +ATOM 32503 C C . ARG U 3 8 ? 4.501 18.145 42.843 1.00 70.17 ? 26 ARG c C 1 +ATOM 32504 O O . ARG U 3 8 ? 5.325 19.005 42.530 1.00 67.15 ? 26 ARG c O 1 +ATOM 32505 C CB . ARG U 3 8 ? 2.879 20.004 43.352 1.00 59.60 ? 26 ARG c CB 1 +ATOM 32506 C CG . ARG U 3 8 ? 1.491 20.372 43.827 1.00 71.93 ? 26 ARG c CG 1 +ATOM 32507 C CD . ARG U 3 8 ? 1.234 21.847 43.661 1.00 71.32 ? 26 ARG c CD 1 +ATOM 32508 N NE . ARG U 3 8 ? 2.202 22.648 44.392 1.00 83.55 ? 26 ARG c NE 1 +ATOM 32509 C CZ . ARG U 3 8 ? 2.015 23.099 45.626 1.00 91.03 ? 26 ARG c CZ 1 +ATOM 32510 N NH1 . ARG U 3 8 ? 0.913 22.819 46.305 1.00 73.59 ? 26 ARG c NH1 1 +ATOM 32511 N NH2 . ARG U 3 8 ? 2.950 23.862 46.185 1.00 81.62 ? 26 ARG c NH2 1 +ATOM 32512 N N . ASP U 3 9 ? 4.754 16.841 42.766 1.00 66.26 ? 27 ASP c N 1 +ATOM 32513 C CA . ASP U 3 9 ? 6.016 16.335 42.246 1.00 62.92 ? 27 ASP c CA 1 +ATOM 32514 C C . ASP U 3 9 ? 5.780 14.929 41.728 1.00 66.29 ? 27 ASP c C 1 +ATOM 32515 O O . ASP U 3 9 ? 4.723 14.329 41.950 1.00 67.68 ? 27 ASP c O 1 +ATOM 32516 C CB . ASP U 3 9 ? 7.134 16.357 43.301 1.00 79.69 ? 27 ASP c CB 1 +ATOM 32517 C CG . ASP U 3 9 ? 6.712 15.746 44.652 1.00 77.08 ? 27 ASP c CG 1 +ATOM 32518 O OD1 . ASP U 3 9 ? 6.104 14.644 44.689 1.00 61.96 ? 27 ASP c OD1 1 +ATOM 32519 O OD2 . ASP U 3 9 ? 7.028 16.381 45.683 1.00 69.34 ? 27 ASP c OD2 1 +ATOM 32520 N N . GLN U 3 10 ? 6.778 14.410 41.016 1.00 66.49 ? 28 GLN c N 1 +ATOM 32521 C CA . GLN U 3 10 ? 6.633 13.067 40.469 1.00 74.04 ? 28 GLN c CA 1 +ATOM 32522 C C . GLN U 3 10 ? 6.605 12.035 41.586 1.00 75.92 ? 28 GLN c C 1 +ATOM 32523 O O . GLN U 3 10 ? 5.810 11.084 41.545 1.00 76.24 ? 28 GLN c O 1 +ATOM 32524 C CB . GLN U 3 10 ? 7.759 12.774 39.479 1.00 55.99 ? 28 GLN c CB 1 +ATOM 32525 C CG . GLN U 3 10 ? 7.536 11.501 38.700 1.00 79.35 ? 28 GLN c CG 1 +ATOM 32526 C CD . GLN U 3 10 ? 8.576 11.274 37.604 1.00 80.37 ? 28 GLN c CD 1 +ATOM 32527 O OE1 . GLN U 3 10 ? 9.495 12.067 37.427 1.00 83.24 ? 28 GLN c OE1 1 +ATOM 32528 N NE2 . GLN U 3 10 ? 8.435 10.173 36.879 1.00 84.99 ? 28 GLN c NE2 1 +ATOM 32529 N N . GLU U 3 11 ? 7.451 12.231 42.605 1.00 91.16 ? 29 GLU c N 1 +ATOM 32530 C CA . GLU U 3 11 ? 7.551 11.294 43.726 1.00 76.33 ? 29 GLU c CA 1 +ATOM 32531 C C . GLU U 3 11 ? 6.194 11.049 44.379 1.00 61.30 ? 29 GLU c C 1 +ATOM 32532 O O . GLU U 3 11 ? 5.840 9.908 44.682 1.00 63.79 ? 29 GLU c O 1 +ATOM 32533 C CB . GLU U 3 11 ? 8.576 11.830 44.735 1.00 81.47 ? 29 GLU c CB 1 +ATOM 32534 C CG . GLU U 3 11 ? 8.649 11.104 46.049 1.00 87.25 ? 29 GLU c CG 1 +ATOM 32535 C CD . GLU U 3 11 ? 7.704 11.687 47.082 1.00 74.33 ? 29 GLU c CD 1 +ATOM 32536 O OE1 . GLU U 3 11 ? 7.583 12.927 47.145 1.00 78.14 ? 29 GLU c OE1 1 +ATOM 32537 O OE2 . GLU U 3 11 ? 7.069 10.901 47.815 1.00 94.70 ? 29 GLU c OE2 1 +ATOM 32538 N N . SER U 3 12 ? 5.401 12.098 44.572 1.00 63.87 ? 30 SER c N 1 +ATOM 32539 C CA . SER U 3 12 ? 4.089 11.891 45.178 1.00 76.70 ? 30 SER c CA 1 +ATOM 32540 C C . SER U 3 12 ? 3.054 11.367 44.186 1.00 82.54 ? 30 SER c C 1 +ATOM 32541 O O . SER U 3 12 ? 2.227 10.527 44.546 1.00 84.33 ? 30 SER c O 1 +ATOM 32542 C CB . SER U 3 12 ? 3.589 13.190 45.803 1.00 74.34 ? 30 SER c CB 1 +ATOM 32543 O OG . SER U 3 12 ? 4.278 13.452 47.013 1.00 86.42 ? 30 SER c OG 1 +ATOM 32544 N N . SER U 3 13 ? 3.066 11.847 42.939 1.00 84.93 ? 31 SER c N 1 +ATOM 32545 C CA . SER U 3 13 ? 1.942 11.602 42.037 1.00 79.00 ? 31 SER c CA 1 +ATOM 32546 C C . SER U 3 13 ? 2.155 10.455 41.063 1.00 68.76 ? 31 SER c C 1 +ATOM 32547 O O . SER U 3 13 ? 1.167 9.913 40.553 1.00 62.92 ? 31 SER c O 1 +ATOM 32548 C CB . SER U 3 13 ? 1.622 12.861 41.224 1.00 68.36 ? 31 SER c CB 1 +ATOM 32549 O OG . SER U 3 13 ? 2.706 13.174 40.375 1.00 67.42 ? 31 SER c OG 1 +ATOM 32550 N N . GLY U 3 14 ? 3.404 10.073 40.789 1.00 71.07 ? 32 GLY c N 1 +ATOM 32551 C CA . GLY U 3 14 ? 3.700 9.098 39.758 1.00 62.46 ? 32 GLY c CA 1 +ATOM 32552 C C . GLY U 3 14 ? 3.885 9.673 38.361 1.00 75.38 ? 32 GLY c C 1 +ATOM 32553 O O . GLY U 3 14 ? 4.386 8.954 37.483 1.00 64.43 ? 32 GLY c O 1 +ATOM 32554 N N . PHE U 3 15 ? 3.524 10.948 38.144 1.00 60.84 ? 33 PHE c N 1 +ATOM 32555 C CA . PHE U 3 15 ? 3.577 11.604 36.843 1.00 59.95 ? 33 PHE c CA 1 +ATOM 32556 C C . PHE U 3 15 ? 4.726 12.597 36.796 1.00 69.45 ? 33 PHE c C 1 +ATOM 32557 O O . PHE U 3 15 ? 4.868 13.432 37.703 1.00 64.73 ? 33 PHE c O 1 +ATOM 32558 C CB . PHE U 3 15 ? 2.271 12.350 36.539 1.00 60.85 ? 33 PHE c CB 1 +ATOM 32559 C CG . PHE U 3 15 ? 1.111 11.443 36.234 1.00 75.16 ? 33 PHE c CG 1 +ATOM 32560 C CD1 . PHE U 3 15 ? 0.974 10.865 34.970 1.00 53.82 ? 33 PHE c CD1 1 +ATOM 32561 C CD2 . PHE U 3 15 ? 0.159 11.163 37.210 1.00 55.34 ? 33 PHE c CD2 1 +ATOM 32562 C CE1 . PHE U 3 15 ? -0.099 10.021 34.687 1.00 62.21 ? 33 PHE c CE1 1 +ATOM 32563 C CE2 . PHE U 3 15 ? -0.905 10.320 36.940 1.00 65.65 ? 33 PHE c CE2 1 +ATOM 32564 C CZ . PHE U 3 15 ? -1.036 9.736 35.674 1.00 63.18 ? 33 PHE c CZ 1 +ATOM 32565 N N . ALA U 3 16 ? 5.509 12.538 35.717 1.00 57.16 ? 34 ALA c N 1 +ATOM 32566 C CA . ALA U 3 16 ? 6.555 13.523 35.489 1.00 63.11 ? 34 ALA c CA 1 +ATOM 32567 C C . ALA U 3 16 ? 5.946 14.896 35.201 1.00 67.50 ? 34 ALA c C 1 +ATOM 32568 O O . ALA U 3 16 ? 4.737 15.053 34.976 1.00 64.68 ? 34 ALA c O 1 +ATOM 32569 C CB . ALA U 3 16 ? 7.476 13.099 34.340 1.00 58.96 ? 34 ALA c CB 1 +ATOM 32570 N N . TRP U 3 17 ? 6.817 15.905 35.217 1.00 60.97 ? 35 TRP c N 1 +ATOM 32571 C CA . TRP U 3 17 ? 6.370 17.278 35.037 1.00 59.82 ? 35 TRP c CA 1 +ATOM 32572 C C . TRP U 3 17 ? 5.740 17.494 33.668 1.00 65.29 ? 35 TRP c C 1 +ATOM 32573 O O . TRP U 3 17 ? 4.802 18.290 33.538 1.00 62.57 ? 35 TRP c O 1 +ATOM 32574 C CB . TRP U 3 17 ? 7.547 18.235 35.232 1.00 63.38 ? 35 TRP c CB 1 +ATOM 32575 C CG . TRP U 3 17 ? 8.610 18.101 34.171 1.00 69.76 ? 35 TRP c CG 1 +ATOM 32576 C CD1 . TRP U 3 17 ? 9.690 17.265 34.189 1.00 72.31 ? 35 TRP c CD1 1 +ATOM 32577 C CD2 . TRP U 3 17 ? 8.681 18.819 32.931 1.00 68.48 ? 35 TRP c CD2 1 +ATOM 32578 N NE1 . TRP U 3 17 ? 10.436 17.430 33.043 1.00 72.31 ? 35 TRP c NE1 1 +ATOM 32579 C CE2 . TRP U 3 17 ? 9.838 18.375 32.255 1.00 66.60 ? 35 TRP c CE2 1 +ATOM 32580 C CE3 . TRP U 3 17 ? 7.883 19.799 32.330 1.00 68.84 ? 35 TRP c CE3 1 +ATOM 32581 C CZ2 . TRP U 3 17 ? 10.211 18.873 31.007 1.00 78.38 ? 35 TRP c CZ2 1 +ATOM 32582 C CZ3 . TRP U 3 17 ? 8.260 20.298 31.088 1.00 69.27 ? 35 TRP c CZ3 1 +ATOM 32583 C CH2 . TRP U 3 17 ? 9.411 19.830 30.442 1.00 74.38 ? 35 TRP c CH2 1 +ATOM 32584 N N A TRP U 3 18 ? 6.230 16.797 32.642 0.40 58.11 ? 36 TRP c N 1 +ATOM 32585 N N B TRP U 3 18 ? 6.239 16.810 32.634 0.60 57.98 ? 36 TRP c N 1 +ATOM 32586 C CA A TRP U 3 18 ? 5.695 17.011 31.303 0.40 67.04 ? 36 TRP c CA 1 +ATOM 32587 C CA B TRP U 3 18 ? 5.697 17.009 31.293 0.60 67.15 ? 36 TRP c CA 1 +ATOM 32588 C C A TRP U 3 18 ? 4.300 16.424 31.128 0.40 65.12 ? 36 TRP c C 1 +ATOM 32589 C C B TRP U 3 18 ? 4.311 16.402 31.117 0.60 65.15 ? 36 TRP c C 1 +ATOM 32590 O O A TRP U 3 18 ? 3.648 16.708 30.117 0.40 68.19 ? 36 TRP c O 1 +ATOM 32591 O O B TRP U 3 18 ? 3.693 16.603 30.064 0.60 68.35 ? 36 TRP c O 1 +ATOM 32592 C CB A TRP U 3 18 ? 6.649 16.454 30.245 0.40 61.12 ? 36 TRP c CB 1 +ATOM 32593 C CB B TRP U 3 18 ? 6.656 16.453 30.235 0.60 60.93 ? 36 TRP c CB 1 +ATOM 32594 C CG A TRP U 3 18 ? 7.257 15.130 30.571 0.40 65.50 ? 36 TRP c CG 1 +ATOM 32595 C CG B TRP U 3 18 ? 7.257 15.116 30.551 0.60 65.55 ? 36 TRP c CG 1 +ATOM 32596 C CD1 A TRP U 3 18 ? 8.512 14.906 31.066 0.40 56.16 ? 36 TRP c CD1 1 +ATOM 32597 C CD1 B TRP U 3 18 ? 8.511 14.879 31.037 0.60 55.86 ? 36 TRP c CD1 1 +ATOM 32598 C CD2 A TRP U 3 18 ? 6.658 13.835 30.388 0.40 66.58 ? 36 TRP c CD2 1 +ATOM 32599 C CD2 B TRP U 3 18 ? 6.648 13.826 30.370 0.60 66.68 ? 36 TRP c CD2 1 +ATOM 32600 N NE1 A TRP U 3 18 ? 8.724 13.558 31.204 0.40 62.47 ? 36 TRP c NE1 1 +ATOM 32601 N NE1 B TRP U 3 18 ? 8.717 13.531 31.175 0.60 62.39 ? 36 TRP c NE1 1 +ATOM 32602 C CE2 A TRP U 3 18 ? 7.603 12.878 30.801 0.40 61.51 ? 36 TRP c CE2 1 +ATOM 32603 C CE2 B TRP U 3 18 ? 7.589 12.860 30.779 0.60 61.41 ? 36 TRP c CE2 1 +ATOM 32604 C CE3 A TRP U 3 18 ? 5.416 13.394 29.912 0.40 60.71 ? 36 TRP c CE3 1 +ATOM 32605 C CE3 B TRP U 3 18 ? 5.399 13.395 29.902 0.60 60.62 ? 36 TRP c CE3 1 +ATOM 32606 C CZ2 A TRP U 3 18 ? 7.346 11.501 30.757 0.40 61.46 ? 36 TRP c CZ2 1 +ATOM 32607 C CZ2 B TRP U 3 18 ? 7.323 11.489 30.736 0.60 61.41 ? 36 TRP c CZ2 1 +ATOM 32608 C CZ3 A TRP U 3 18 ? 5.160 12.024 29.879 0.40 60.76 ? 36 TRP c CZ3 1 +ATOM 32609 C CZ3 B TRP U 3 18 ? 5.133 12.033 29.869 0.60 60.75 ? 36 TRP c CZ3 1 +ATOM 32610 C CH2 A TRP U 3 18 ? 6.122 11.097 30.294 0.40 57.45 ? 36 TRP c CH2 1 +ATOM 32611 C CH2 B TRP U 3 18 ? 6.091 11.096 30.282 0.60 57.35 ? 36 TRP c CH2 1 +ATOM 32612 N N . ALA U 3 19 ? 3.816 15.664 32.108 1.00 62.74 ? 37 ALA c N 1 +ATOM 32613 C CA . ALA U 3 19 ? 2.426 15.236 32.172 1.00 61.25 ? 37 ALA c CA 1 +ATOM 32614 C C . ALA U 3 19 ? 1.790 15.787 33.446 1.00 68.93 ? 37 ALA c C 1 +ATOM 32615 O O . ALA U 3 19 ? 0.881 15.178 34.021 1.00 55.55 ? 37 ALA c O 1 +ATOM 32616 C CB . ALA U 3 19 ? 2.318 13.716 32.113 1.00 57.55 ? 37 ALA c CB 1 +ATOM 32617 N N . GLY U 3 20 ? 2.279 16.954 33.881 1.00 61.65 ? 38 GLY c N 1 +ATOM 32618 C CA . GLY U 3 20 ? 1.970 17.438 35.216 1.00 66.13 ? 38 GLY c CA 1 +ATOM 32619 C C . GLY U 3 20 ? 0.486 17.597 35.471 1.00 69.83 ? 38 GLY c C 1 +ATOM 32620 O O . GLY U 3 20 ? 0.012 17.355 36.582 1.00 66.55 ? 38 GLY c O 1 +ATOM 32621 N N . ASN U 3 21 ? -0.270 17.989 34.446 1.00 59.64 ? 39 ASN c N 1 +ATOM 32622 C CA . ASN U 3 21 ? -1.695 18.207 34.619 1.00 56.61 ? 39 ASN c CA 1 +ATOM 32623 C C . ASN U 3 21 ? -2.459 16.914 34.834 1.00 57.08 ? 39 ASN c C 1 +ATOM 32624 O O . ASN U 3 21 ? -3.632 16.959 35.217 1.00 61.25 ? 39 ASN c O 1 +ATOM 32625 C CB . ASN U 3 21 ? -2.239 18.974 33.416 1.00 61.00 ? 39 ASN c CB 1 +ATOM 32626 C CG . ASN U 3 21 ? -1.804 20.424 33.420 1.00 72.25 ? 39 ASN c CG 1 +ATOM 32627 O OD1 . ASN U 3 21 ? -1.626 21.020 34.486 1.00 67.36 ? 39 ASN c OD1 1 +ATOM 32628 N ND2 . ASN U 3 21 ? -1.640 21.006 32.237 1.00 58.37 ? 39 ASN c ND2 1 +ATOM 32629 N N . ALA U 3 22 ? -1.834 15.762 34.601 1.00 61.42 ? 40 ALA c N 1 +ATOM 32630 C CA . ALA U 3 22 ? -2.464 14.517 35.005 1.00 56.56 ? 40 ALA c CA 1 +ATOM 32631 C C . ALA U 3 22 ? -2.447 14.354 36.524 1.00 66.49 ? 40 ALA c C 1 +ATOM 32632 O O . ALA U 3 22 ? -3.243 13.577 37.059 1.00 64.51 ? 40 ALA c O 1 +ATOM 32633 C CB . ALA U 3 22 ? -1.779 13.335 34.322 1.00 57.17 ? 40 ALA c CB 1 +ATOM 32634 N N . ARG U 3 23 ? -1.593 15.100 37.236 1.00 61.66 ? 41 ARG c N 1 +ATOM 32635 C CA . ARG U 3 23 ? -1.640 15.074 38.698 1.00 72.02 ? 41 ARG c CA 1 +ATOM 32636 C C . ARG U 3 23 ? -2.966 15.587 39.250 1.00 76.08 ? 41 ARG c C 1 +ATOM 32637 O O . ARG U 3 23 ? -3.211 15.435 40.452 1.00 70.29 ? 41 ARG c O 1 +ATOM 32638 C CB . ARG U 3 23 ? -0.489 15.896 39.298 1.00 59.80 ? 41 ARG c CB 1 +ATOM 32639 C CG . ARG U 3 23 ? 0.905 15.378 38.954 1.00 61.21 ? 41 ARG c CG 1 +ATOM 32640 C CD . ARG U 3 23 ? 1.977 16.459 39.160 1.00 60.35 ? 41 ARG c CD 1 +ATOM 32641 N NE . ARG U 3 23 ? 3.305 15.948 38.831 1.00 63.35 ? 41 ARG c NE 1 +ATOM 32642 C CZ . ARG U 3 23 ? 4.435 16.635 38.944 1.00 60.73 ? 41 ARG c CZ 1 +ATOM 32643 N NH1 . ARG U 3 23 ? 4.449 17.884 39.390 1.00 57.15 ? 41 ARG c NH1 1 +ATOM 32644 N NH2 . ARG U 3 23 ? 5.584 16.053 38.599 1.00 59.96 ? 41 ARG c NH2 1 +ATOM 32645 N N . LEU U 3 24 ? -3.829 16.166 38.408 1.00 62.74 ? 42 LEU c N 1 +ATOM 32646 C CA . LEU U 3 24 ? -5.055 16.818 38.853 1.00 69.70 ? 42 LEU c CA 1 +ATOM 32647 C C . LEU U 3 24 ? -6.284 15.934 38.745 1.00 64.87 ? 42 LEU c C 1 +ATOM 32648 O O . LEU U 3 24 ? -7.377 16.389 39.095 1.00 74.32 ? 42 LEU c O 1 +ATOM 32649 C CB . LEU U 3 24 ? -5.310 18.094 38.042 1.00 62.25 ? 42 LEU c CB 1 +ATOM 32650 C CG . LEU U 3 24 ? -4.257 19.187 38.100 1.00 70.68 ? 42 LEU c CG 1 +ATOM 32651 C CD1 . LEU U 3 24 ? -4.429 20.189 36.924 1.00 64.69 ? 42 LEU c CD1 1 +ATOM 32652 C CD2 . LEU U 3 24 ? -4.372 19.882 39.443 1.00 67.61 ? 42 LEU c CD2 1 +ATOM 32653 N N . ILE U 3 25 ? -6.140 14.703 38.248 1.00 59.09 ? 43 ILE c N 1 +ATOM 32654 C CA . ILE U 3 25 ? -7.306 13.896 37.903 1.00 67.32 ? 43 ILE c CA 1 +ATOM 32655 C C . ILE U 3 25 ? -8.237 13.736 39.106 1.00 84.96 ? 43 ILE c C 1 +ATOM 32656 O O . ILE U 3 25 ? -9.466 13.829 38.972 1.00 71.44 ? 43 ILE c O 1 +ATOM 32657 C CB . ILE U 3 25 ? -6.858 12.534 37.334 1.00 67.06 ? 43 ILE c CB 1 +ATOM 32658 C CG1 . ILE U 3 25 ? -6.161 12.725 35.972 1.00 71.85 ? 43 ILE c CG1 1 +ATOM 32659 C CG2 . ILE U 3 25 ? -8.052 11.570 37.215 1.00 55.41 ? 43 ILE c CG2 1 +ATOM 32660 C CD1 . ILE U 3 25 ? -5.616 11.412 35.363 1.00 61.61 ? 43 ILE c CD1 1 +ATOM 32661 N N . ASN U 3 26 ? -7.670 13.521 40.301 1.00 60.02 ? 44 ASN c N 1 +ATOM 32662 C CA . ASN U 3 26 ? -8.442 13.284 41.517 1.00 75.05 ? 44 ASN c CA 1 +ATOM 32663 C C . ASN U 3 26 ? -8.345 14.429 42.524 1.00 68.88 ? 44 ASN c C 1 +ATOM 32664 O O . ASN U 3 26 ? -8.539 14.213 43.720 1.00 72.41 ? 44 ASN c O 1 +ATOM 32665 C CB . ASN U 3 26 ? -7.994 11.979 42.167 1.00 74.09 ? 44 ASN c CB 1 +ATOM 32666 C CG . ASN U 3 26 ? -8.346 10.774 41.333 1.00 79.41 ? 44 ASN c CG 1 +ATOM 32667 O OD1 . ASN U 3 26 ? -9.488 10.625 40.887 1.00 86.37 ? 44 ASN c OD1 1 +ATOM 32668 N ND2 . ASN U 3 26 ? -7.364 9.906 41.102 1.00 85.25 ? 44 ASN c ND2 1 +ATOM 32669 N N . LEU U 3 27 ? -8.043 15.639 42.069 1.00 65.62 ? 45 LEU c N 1 +ATOM 32670 C CA . LEU U 3 27 ? -8.030 16.837 42.906 1.00 67.51 ? 45 LEU c CA 1 +ATOM 32671 C C . LEU U 3 27 ? -9.099 17.780 42.371 1.00 71.83 ? 45 LEU c C 1 +ATOM 32672 O O . LEU U 3 27 ? -8.796 18.778 41.713 1.00 69.12 ? 45 LEU c O 1 +ATOM 32673 C CB . LEU U 3 27 ? -6.673 17.473 42.912 1.00 63.40 ? 45 LEU c CB 1 +ATOM 32674 C CG . LEU U 3 27 ? -5.572 16.540 43.402 1.00 80.85 ? 45 LEU c CG 1 +ATOM 32675 C CD1 . LEU U 3 27 ? -4.243 17.248 43.375 1.00 67.60 ? 45 LEU c CD1 1 +ATOM 32676 C CD2 . LEU U 3 27 ? -5.883 16.050 44.812 1.00 67.52 ? 45 LEU c CD2 1 +ATOM 32677 N N . SER U 3 28 ? -10.359 17.465 42.685 1.00 76.60 ? 46 SER c N 1 +ATOM 32678 C CA . SER U 3 28 ? -11.488 18.136 42.044 1.00 67.36 ? 46 SER c CA 1 +ATOM 32679 C C . SER U 3 28 ? -11.469 19.646 42.259 1.00 80.23 ? 46 SER c C 1 +ATOM 32680 O O . SER U 3 28 ? -12.013 20.393 41.436 1.00 71.86 ? 46 SER c O 1 +ATOM 32681 C CB . SER U 3 28 ? -12.807 17.533 42.544 1.00 76.73 ? 46 SER c CB 1 +ATOM 32682 O OG . SER U 3 28 ? -12.884 17.518 43.963 1.00 74.79 ? 46 SER c OG 1 +ATOM 32683 N N . GLY U 3 29 ? -10.843 20.119 43.337 1.00 73.08 ? 47 GLY c N 1 +ATOM 32684 C CA . GLY U 3 29 ? -10.846 21.542 43.602 1.00 62.05 ? 47 GLY c CA 1 +ATOM 32685 C C . GLY U 3 29 ? -9.834 22.318 42.782 1.00 71.96 ? 47 GLY c C 1 +ATOM 32686 O O . GLY U 3 29 ? -10.147 23.385 42.232 1.00 67.82 ? 47 GLY c O 1 +ATOM 32687 N N . LYS U 3 30 ? -8.600 21.811 42.723 1.00 68.21 ? 48 LYS c N 1 +ATOM 32688 C CA . LYS U 3 30 ? -7.613 22.391 41.818 1.00 73.58 ? 48 LYS c CA 1 +ATOM 32689 C C . LYS U 3 30 ? -8.018 22.178 40.352 1.00 76.11 ? 48 LYS c C 1 +ATOM 32690 O O . LYS U 3 30 ? -7.818 23.059 39.509 1.00 60.69 ? 48 LYS c O 1 +ATOM 32691 C CB . LYS U 3 30 ? -6.235 21.787 42.091 1.00 74.36 ? 48 LYS c CB 1 +ATOM 32692 C CG . LYS U 3 30 ? -5.538 22.267 43.355 1.00 71.90 ? 48 LYS c CG 1 +ATOM 32693 C CD . LYS U 3 30 ? -4.087 22.622 43.032 1.00 82.73 ? 48 LYS c CD 1 +ATOM 32694 C CE . LYS U 3 30 ? -3.212 22.842 44.251 1.00 71.50 ? 48 LYS c CE 1 +ATOM 32695 N NZ . LYS U 3 30 ? -3.897 23.587 45.359 1.00 76.58 ? 48 LYS c NZ 1 +ATOM 32696 N N . LEU U 3 31 ? -8.594 21.015 40.033 1.00 67.50 ? 49 LEU c N 1 +ATOM 32697 C CA . LEU U 3 31 ? -9.029 20.773 38.661 1.00 69.68 ? 49 LEU c CA 1 +ATOM 32698 C C . LEU U 3 31 ? -10.115 21.761 38.265 1.00 75.43 ? 49 LEU c C 1 +ATOM 32699 O O . LEU U 3 31 ? -10.161 22.218 37.117 1.00 70.00 ? 49 LEU c O 1 +ATOM 32700 C CB . LEU U 3 31 ? -9.515 19.334 38.498 1.00 59.43 ? 49 LEU c CB 1 +ATOM 32701 C CG . LEU U 3 31 ? -9.869 18.857 37.076 1.00 62.85 ? 49 LEU c CG 1 +ATOM 32702 C CD1 . LEU U 3 31 ? -8.730 19.142 36.116 1.00 60.12 ? 49 LEU c CD1 1 +ATOM 32703 C CD2 . LEU U 3 31 ? -10.178 17.380 37.072 1.00 53.40 ? 49 LEU c CD2 1 +ATOM 32704 N N . LEU U 3 32 ? -10.981 22.126 39.216 1.00 72.75 ? 50 LEU c N 1 +ATOM 32705 C CA . LEU U 3 32 ? -11.959 23.178 38.954 1.00 68.53 ? 50 LEU c CA 1 +ATOM 32706 C C . LEU U 3 32 ? -11.270 24.503 38.667 1.00 69.24 ? 50 LEU c C 1 +ATOM 32707 O O . LEU U 3 32 ? -11.659 25.233 37.745 1.00 67.82 ? 50 LEU c O 1 +ATOM 32708 C CB . LEU U 3 32 ? -12.909 23.308 40.138 1.00 75.98 ? 50 LEU c CB 1 +ATOM 32709 C CG . LEU U 3 32 ? -13.952 24.414 40.016 1.00 88.99 ? 50 LEU c CG 1 +ATOM 32710 C CD1 . LEU U 3 32 ? -14.893 24.098 38.866 1.00 73.55 ? 50 LEU c CD1 1 +ATOM 32711 C CD2 . LEU U 3 32 ? -14.711 24.557 41.330 1.00 78.82 ? 50 LEU c CD2 1 +ATOM 32712 N N . GLY U 3 33 ? -10.233 24.827 39.436 1.00 64.21 ? 51 GLY c N 1 +ATOM 32713 C CA . GLY U 3 33 ? -9.491 26.047 39.167 1.00 71.76 ? 51 GLY c CA 1 +ATOM 32714 C C . GLY U 3 33 ? -8.814 26.027 37.812 1.00 66.19 ? 51 GLY c C 1 +ATOM 32715 O O . GLY U 3 33 ? -8.764 27.045 37.118 1.00 69.04 ? 51 GLY c O 1 +ATOM 32716 N N . ALA U 3 34 ? -8.281 24.866 37.416 1.00 71.76 ? 52 ALA c N 1 +ATOM 32717 C CA . ALA U 3 34 ? -7.668 24.749 36.094 1.00 75.14 ? 52 ALA c CA 1 +ATOM 32718 C C . ALA U 3 34 ? -8.673 25.088 35.001 1.00 63.27 ? 52 ALA c C 1 +ATOM 32719 O O . ALA U 3 34 ? -8.390 25.888 34.106 1.00 64.38 ? 52 ALA c O 1 +ATOM 32720 C CB . ALA U 3 34 ? -7.110 23.344 35.895 1.00 57.14 ? 52 ALA c CB 1 +ATOM 32721 N N . HIS U 3 35 ? -9.875 24.517 35.095 1.00 60.48 ? 53 HIS c N 1 +ATOM 32722 C CA . HIS U 3 35 ? -10.898 24.750 34.085 1.00 61.03 ? 53 HIS c CA 1 +ATOM 32723 C C . HIS U 3 35 ? -11.372 26.198 34.066 1.00 62.32 ? 53 HIS c C 1 +ATOM 32724 O O . HIS U 3 35 ? -11.551 26.778 32.987 1.00 68.23 ? 53 HIS c O 1 +ATOM 32725 C CB . HIS U 3 35 ? -12.058 23.786 34.311 1.00 54.28 ? 53 HIS c CB 1 +ATOM 32726 C CG . HIS U 3 35 ? -11.752 22.388 33.861 1.00 72.05 ? 53 HIS c CG 1 +ATOM 32727 N ND1 . HIS U 3 35 ? -11.622 21.332 34.733 1.00 71.45 ? 53 HIS c ND1 1 +ATOM 32728 C CD2 . HIS U 3 35 ? -11.505 21.885 32.625 1.00 71.32 ? 53 HIS c CD2 1 +ATOM 32729 C CE1 . HIS U 3 35 ? -11.339 20.231 34.056 1.00 68.52 ? 53 HIS c CE1 1 +ATOM 32730 N NE2 . HIS U 3 35 ? -11.261 20.540 32.774 1.00 72.71 ? 53 HIS c NE2 1 +ATOM 32731 N N . VAL U 3 36 ? -11.571 26.805 35.243 1.00 70.12 ? 54 VAL c N 1 +ATOM 32732 C CA . VAL U 3 36 ? -12.134 28.153 35.296 1.00 64.70 ? 54 VAL c CA 1 +ATOM 32733 C C . VAL U 3 36 ? -11.102 29.186 34.848 1.00 68.57 ? 54 VAL c C 1 +ATOM 32734 O O . VAL U 3 36 ? -11.432 30.139 34.130 1.00 62.15 ? 54 VAL c O 1 +ATOM 32735 C CB . VAL U 3 36 ? -12.682 28.451 36.707 1.00 65.34 ? 54 VAL c CB 1 +ATOM 32736 C CG1 . VAL U 3 36 ? -13.143 29.899 36.793 1.00 62.30 ? 54 VAL c CG1 1 +ATOM 32737 C CG2 . VAL U 3 36 ? -13.830 27.505 37.030 1.00 58.66 ? 54 VAL c CG2 1 +ATOM 32738 N N . ALA U 3 37 ? -9.832 29.006 35.241 1.00 68.99 ? 55 ALA c N 1 +ATOM 32739 C CA . ALA U 3 37 ? -8.779 29.887 34.732 1.00 67.63 ? 55 ALA c CA 1 +ATOM 32740 C C . ALA U 3 37 ? -8.625 29.755 33.213 1.00 71.91 ? 55 ALA c C 1 +ATOM 32741 O O . ALA U 3 37 ? -8.379 30.751 32.514 1.00 65.21 ? 55 ALA c O 1 +ATOM 32742 C CB . ALA U 3 37 ? -7.455 29.581 35.436 1.00 59.46 ? 55 ALA c CB 1 +ATOM 32743 N N . HIS U 3 38 ? -8.756 28.529 32.685 1.00 68.10 ? 56 HIS c N 1 +ATOM 32744 C CA . HIS U 3 38 ? -8.687 28.339 31.236 1.00 70.61 ? 56 HIS c CA 1 +ATOM 32745 C C . HIS U 3 38 ? -9.865 29.016 30.540 1.00 67.76 ? 56 HIS c C 1 +ATOM 32746 O O . HIS U 3 38 ? -9.687 29.673 29.506 1.00 62.10 ? 56 HIS c O 1 +ATOM 32747 C CB . HIS U 3 38 ? -8.632 26.840 30.887 1.00 65.22 ? 56 HIS c CB 1 +ATOM 32748 C CG . HIS U 3 38 ? -8.536 26.563 29.413 1.00 71.65 ? 56 HIS c CG 1 +ATOM 32749 N ND1 . HIS U 3 38 ? -9.645 26.344 28.621 1.00 66.89 ? 56 HIS c ND1 1 +ATOM 32750 C CD2 . HIS U 3 38 ? -7.464 26.496 28.582 1.00 54.96 ? 56 HIS c CD2 1 +ATOM 32751 C CE1 . HIS U 3 38 ? -9.262 26.156 27.366 1.00 66.64 ? 56 HIS c CE1 1 +ATOM 32752 N NE2 . HIS U 3 38 ? -7.944 26.235 27.315 1.00 61.36 ? 56 HIS c NE2 1 +ATOM 32753 N N . ALA U 3 39 ? -11.074 28.880 31.094 1.00 62.29 ? 57 ALA c N 1 +ATOM 32754 C CA . ALA U 3 39 ? -12.212 29.591 30.524 1.00 63.02 ? 57 ALA c CA 1 +ATOM 32755 C C . ALA U 3 39 ? -11.956 31.098 30.500 1.00 70.33 ? 57 ALA c C 1 +ATOM 32756 O O . ALA U 3 39 ? -12.350 31.791 29.553 1.00 66.75 ? 57 ALA c O 1 +ATOM 32757 C CB . ALA U 3 39 ? -13.483 29.248 31.302 1.00 59.77 ? 57 ALA c CB 1 +ATOM 32758 N N . GLY U 3 40 ? -11.254 31.617 31.514 1.00 69.15 ? 58 GLY c N 1 +ATOM 32759 C CA . GLY U 3 40 ? -10.865 33.019 31.486 1.00 66.15 ? 58 GLY c CA 1 +ATOM 32760 C C . GLY U 3 40 ? -9.978 33.357 30.301 1.00 75.39 ? 58 GLY c C 1 +ATOM 32761 O O . GLY U 3 40 ? -10.120 34.426 29.694 1.00 71.77 ? 58 GLY c O 1 +ATOM 32762 N N . LEU U 3 41 ? -9.037 32.466 29.969 1.00 61.71 ? 59 LEU c N 1 +ATOM 32763 C CA . LEU U 3 41 ? -8.183 32.688 28.804 1.00 62.69 ? 59 LEU c CA 1 +ATOM 32764 C C . LEU U 3 41 ? -9.011 32.800 27.530 1.00 61.38 ? 59 LEU c C 1 +ATOM 32765 O O . LEU U 3 41 ? -8.790 33.695 26.707 1.00 57.89 ? 59 LEU c O 1 +ATOM 32766 C CB . LEU U 3 41 ? -7.167 31.558 28.666 1.00 63.12 ? 59 LEU c CB 1 +ATOM 32767 C CG . LEU U 3 41 ? -6.027 31.555 29.677 1.00 73.16 ? 59 LEU c CG 1 +ATOM 32768 C CD1 . LEU U 3 41 ? -5.186 30.269 29.535 1.00 70.55 ? 59 LEU c CD1 1 +ATOM 32769 C CD2 . LEU U 3 41 ? -5.185 32.825 29.570 1.00 62.99 ? 59 LEU c CD2 1 +ATOM 32770 N N . ILE U 3 42 ? -9.975 31.899 27.352 1.00 58.89 ? 60 ILE c N 1 +ATOM 32771 C CA . ILE U 3 42 ? -10.809 31.943 26.158 1.00 69.89 ? 60 ILE c CA 1 +ATOM 32772 C C . ILE U 3 42 ? -11.531 33.277 26.076 1.00 67.05 ? 60 ILE c C 1 +ATOM 32773 O O . ILE U 3 42 ? -11.461 33.985 25.064 1.00 69.52 ? 60 ILE c O 1 +ATOM 32774 C CB . ILE U 3 42 ? -11.805 30.774 26.152 1.00 58.94 ? 60 ILE c CB 1 +ATOM 32775 C CG1 . ILE U 3 42 ? -11.064 29.436 26.148 1.00 63.82 ? 60 ILE c CG1 1 +ATOM 32776 C CG2 . ILE U 3 42 ? -12.753 30.903 24.959 1.00 56.27 ? 60 ILE c CG2 1 +ATOM 32777 C CD1 . ILE U 3 42 ? -11.993 28.240 26.138 1.00 56.07 ? 60 ILE c CD1 1 +ATOM 32778 N N . VAL U 3 43 ? -12.229 33.636 27.155 1.00 75.77 ? 61 VAL c N 1 +ATOM 32779 C CA . VAL U 3 43 ? -12.966 34.894 27.207 1.00 60.82 ? 61 VAL c CA 1 +ATOM 32780 C C . VAL U 3 43 ? -12.018 36.079 27.062 1.00 63.79 ? 61 VAL c C 1 +ATOM 32781 O O . VAL U 3 43 ? -12.333 37.064 26.378 1.00 58.12 ? 61 VAL c O 1 +ATOM 32782 C CB . VAL U 3 43 ? -13.790 34.940 28.507 1.00 76.92 ? 61 VAL c CB 1 +ATOM 32783 C CG1 . VAL U 3 43 ? -14.575 36.214 28.606 1.00 83.53 ? 61 VAL c CG1 1 +ATOM 32784 C CG2 . VAL U 3 43 ? -14.746 33.751 28.548 1.00 67.58 ? 61 VAL c CG2 1 +ATOM 32785 N N . PHE U 3 44 ? -10.827 35.994 27.670 1.00 64.10 ? 62 PHE c N 1 +ATOM 32786 C CA . PHE U 3 44 ? -9.837 37.058 27.487 1.00 62.95 ? 62 PHE c CA 1 +ATOM 32787 C C . PHE U 3 44 ? -9.522 37.263 26.008 1.00 70.10 ? 62 PHE c C 1 +ATOM 32788 O O . PHE U 3 44 ? -9.563 38.395 25.501 1.00 74.94 ? 62 PHE c O 1 +ATOM 32789 C CB . PHE U 3 44 ? -8.557 36.732 28.260 1.00 59.53 ? 62 PHE c CB 1 +ATOM 32790 C CG . PHE U 3 44 ? -7.517 37.816 28.199 1.00 67.71 ? 62 PHE c CG 1 +ATOM 32791 C CD1 . PHE U 3 44 ? -6.668 37.934 27.107 1.00 77.20 ? 62 PHE c CD1 1 +ATOM 32792 C CD2 . PHE U 3 44 ? -7.369 38.709 29.255 1.00 82.62 ? 62 PHE c CD2 1 +ATOM 32793 C CE1 . PHE U 3 44 ? -5.708 38.949 27.048 1.00 69.73 ? 62 PHE c CE1 1 +ATOM 32794 C CE2 . PHE U 3 44 ? -6.408 39.704 29.206 1.00 81.29 ? 62 PHE c CE2 1 +ATOM 32795 C CZ . PHE U 3 44 ? -5.581 39.829 28.096 1.00 74.57 ? 62 PHE c CZ 1 +ATOM 32796 N N . TRP U 3 45 ? -9.205 36.171 25.295 1.00 72.90 ? 63 TRP c N 1 +ATOM 32797 C CA . TRP U 3 45 ? -8.828 36.282 23.889 1.00 64.54 ? 63 TRP c CA 1 +ATOM 32798 C C . TRP U 3 45 ? -9.944 36.923 23.072 1.00 58.70 ? 63 TRP c C 1 +ATOM 32799 O O . TRP U 3 45 ? -9.701 37.872 22.326 1.00 56.71 ? 63 TRP c O 1 +ATOM 32800 C CB . TRP U 3 45 ? -8.454 34.907 23.305 1.00 64.74 ? 63 TRP c CB 1 +ATOM 32801 C CG . TRP U 3 45 ? -8.088 35.012 21.814 1.00 61.01 ? 63 TRP c CG 1 +ATOM 32802 C CD1 . TRP U 3 45 ? -6.880 35.396 21.285 1.00 60.52 ? 63 TRP c CD1 1 +ATOM 32803 C CD2 . TRP U 3 45 ? -8.948 34.777 20.702 1.00 48.91 ? 63 TRP c CD2 1 +ATOM 32804 N NE1 . TRP U 3 45 ? -6.933 35.394 19.920 1.00 55.58 ? 63 TRP c NE1 1 +ATOM 32805 C CE2 . TRP U 3 45 ? -8.192 35.018 19.531 1.00 66.32 ? 63 TRP c CE2 1 +ATOM 32806 C CE3 . TRP U 3 45 ? -10.278 34.378 20.578 1.00 61.96 ? 63 TRP c CE3 1 +ATOM 32807 C CZ2 . TRP U 3 45 ? -8.732 34.886 18.246 1.00 51.71 ? 63 TRP c CZ2 1 +ATOM 32808 C CZ3 . TRP U 3 45 ? -10.813 34.238 19.311 1.00 54.67 ? 63 TRP c CZ3 1 +ATOM 32809 C CH2 . TRP U 3 45 ? -10.039 34.503 18.157 1.00 57.79 ? 63 TRP c CH2 1 +ATOM 32810 N N . ALA U 3 46 ? -11.183 36.429 23.220 1.00 55.16 ? 64 ALA c N 1 +ATOM 32811 C CA . ALA U 3 46 ? -12.309 36.982 22.462 1.00 59.86 ? 64 ALA c CA 1 +ATOM 32812 C C . ALA U 3 46 ? -12.423 38.497 22.637 1.00 69.90 ? 64 ALA c C 1 +ATOM 32813 O O . ALA U 3 46 ? -12.630 39.237 21.660 1.00 73.18 ? 64 ALA c O 1 +ATOM 32814 C CB . ALA U 3 46 ? -13.608 36.297 22.889 1.00 64.20 ? 64 ALA c CB 1 +ATOM 32815 N N . GLY U 3 47 ? -12.257 38.982 23.876 1.00 72.45 ? 65 GLY c N 1 +ATOM 32816 C CA . GLY U 3 47 ? -12.313 40.404 24.159 1.00 55.56 ? 65 GLY c CA 1 +ATOM 32817 C C . GLY U 3 47 ? -11.096 41.155 23.665 1.00 60.22 ? 65 GLY c C 1 +ATOM 32818 O O . GLY U 3 47 ? -11.253 42.128 22.929 1.00 67.94 ? 65 GLY c O 1 +ATOM 32819 N N . ALA U 3 48 ? -9.880 40.747 24.040 1.00 62.45 ? 66 ALA c N 1 +ATOM 32820 C CA . ALA U 3 48 ? -8.703 41.472 23.553 1.00 58.05 ? 66 ALA c CA 1 +ATOM 32821 C C . ALA U 3 48 ? -8.594 41.425 22.026 1.00 73.33 ? 66 ALA c C 1 +ATOM 32822 O O . ALA U 3 48 ? -8.115 42.385 21.414 1.00 62.55 ? 66 ALA c O 1 +ATOM 32823 C CB . ALA U 3 48 ? -7.429 40.913 24.191 1.00 69.40 ? 66 ALA c CB 1 +ATOM 32824 N N . MET U 3 49 ? -9.017 40.322 21.391 1.00 71.35 ? 67 MET c N 1 +ATOM 32825 C CA . MET U 3 49 ? -8.873 40.217 19.942 1.00 69.93 ? 67 MET c CA 1 +ATOM 32826 C C . MET U 3 49 ? -9.847 41.152 19.236 1.00 69.12 ? 67 MET c C 1 +ATOM 32827 O O . MET U 3 49 ? -9.478 41.825 18.262 1.00 65.35 ? 67 MET c O 1 +ATOM 32828 C CB . MET U 3 49 ? -9.072 38.758 19.483 1.00 64.31 ? 67 MET c CB 1 +ATOM 32829 C CG . MET U 3 49 ? -8.576 38.458 18.042 1.00 57.37 ? 67 MET c CG 1 +ATOM 32830 S SD . MET U 3 49 ? -6.774 38.642 17.822 1.00 63.83 ? 67 MET c SD 1 +ATOM 32831 C CE . MET U 3 49 ? -6.707 40.061 16.749 1.00 52.58 ? 67 MET c CE 1 +ATOM 32832 N N . THR U 3 50 ? -11.092 41.218 19.726 1.00 63.47 ? 68 THR c N 1 +ATOM 32833 C CA . THR U 3 50 ? -12.076 42.142 19.164 1.00 65.43 ? 68 THR c CA 1 +ATOM 32834 C C . THR U 3 50 ? -11.610 43.590 19.254 1.00 72.59 ? 68 THR c C 1 +ATOM 32835 O O . THR U 3 50 ? -11.751 44.363 18.297 1.00 73.96 ? 68 THR c O 1 +ATOM 32836 C CB . THR U 3 50 ? -13.400 41.987 19.886 1.00 63.38 ? 68 THR c CB 1 +ATOM 32837 O OG1 . THR U 3 50 ? -13.852 40.645 19.721 1.00 61.89 ? 68 THR c OG1 1 +ATOM 32838 C CG2 . THR U 3 50 ? -14.428 42.958 19.323 1.00 67.23 ? 68 THR c CG2 1 +ATOM 32839 N N . LEU U 3 51 ? -11.069 43.983 20.403 1.00 65.17 ? 69 LEU c N 1 +ATOM 32840 C CA . LEU U 3 51 ? -10.591 45.355 20.536 1.00 88.56 ? 69 LEU c CA 1 +ATOM 32841 C C . LEU U 3 51 ? -9.425 45.612 19.599 1.00 69.24 ? 69 LEU c C 1 +ATOM 32842 O O . LEU U 3 51 ? -9.277 46.723 19.078 1.00 66.38 ? 69 LEU c O 1 +ATOM 32843 C CB . LEU U 3 51 ? -10.190 45.646 21.992 1.00 64.58 ? 69 LEU c CB 1 +ATOM 32844 C CG . LEU U 3 51 ? -11.357 45.680 22.974 1.00 71.19 ? 69 LEU c CG 1 +ATOM 32845 C CD1 . LEU U 3 51 ? -10.860 45.930 24.395 1.00 62.44 ? 69 LEU c CD1 1 +ATOM 32846 C CD2 . LEU U 3 51 ? -12.360 46.755 22.536 1.00 73.40 ? 69 LEU c CD2 1 +ATOM 32847 N N . PHE U 3 52 ? -8.567 44.606 19.405 1.00 66.34 ? 70 PHE c N 1 +ATOM 32848 C CA . PHE U 3 52 ? -7.496 44.729 18.419 1.00 70.25 ? 70 PHE c CA 1 +ATOM 32849 C C . PHE U 3 52 ? -8.082 44.924 17.027 1.00 57.40 ? 70 PHE c C 1 +ATOM 32850 O O . PHE U 3 52 ? -7.694 45.845 16.296 1.00 55.93 ? 70 PHE c O 1 +ATOM 32851 C CB . PHE U 3 52 ? -6.596 43.485 18.466 1.00 65.84 ? 70 PHE c CB 1 +ATOM 32852 C CG . PHE U 3 52 ? -5.361 43.569 17.594 1.00 70.73 ? 70 PHE c CG 1 +ATOM 32853 C CD1 . PHE U 3 52 ? -5.418 43.245 16.225 1.00 59.72 ? 70 PHE c CD1 1 +ATOM 32854 C CD2 . PHE U 3 52 ? -4.134 43.931 18.146 1.00 53.96 ? 70 PHE c CD2 1 +ATOM 32855 C CE1 . PHE U 3 52 ? -4.282 43.313 15.431 1.00 56.58 ? 70 PHE c CE1 1 +ATOM 32856 C CE2 . PHE U 3 52 ? -2.991 43.985 17.363 1.00 62.32 ? 70 PHE c CE2 1 +ATOM 32857 C CZ . PHE U 3 52 ? -3.068 43.675 15.992 1.00 71.43 ? 70 PHE c CZ 1 +ATOM 32858 N N . GLU U 3 53 ? -9.035 44.066 16.655 1.00 60.63 ? 71 GLU c N 1 +ATOM 32859 C CA . GLU U 3 53 ? -9.647 44.166 15.337 1.00 65.54 ? 71 GLU c CA 1 +ATOM 32860 C C . GLU U 3 53 ? -10.290 45.532 15.153 1.00 68.23 ? 71 GLU c C 1 +ATOM 32861 O O . GLU U 3 53 ? -10.042 46.217 14.155 1.00 66.72 ? 71 GLU c O 1 +ATOM 32862 C CB . GLU U 3 53 ? -10.672 43.051 15.145 1.00 61.05 ? 71 GLU c CB 1 +ATOM 32863 C CG . GLU U 3 53 ? -10.066 41.697 14.796 1.00 61.72 ? 71 GLU c CG 1 +ATOM 32864 C CD . GLU U 3 53 ? -11.117 40.705 14.348 1.00 63.98 ? 71 GLU c CD 1 +ATOM 32865 O OE1 . GLU U 3 53 ? -12.297 41.108 14.223 1.00 63.62 ? 71 GLU c OE1 1 +ATOM 32866 O OE2 . GLU U 3 53 ? -10.768 39.525 14.118 1.00 60.91 ? 71 GLU c OE2 1 +ATOM 32867 N N . LEU U 3 54 ? -11.087 45.962 16.137 1.00 70.30 ? 72 LEU c N 1 +ATOM 32868 C CA . LEU U 3 54 ? -11.718 47.277 16.052 1.00 72.08 ? 72 LEU c CA 1 +ATOM 32869 C C . LEU U 3 54 ? -10.681 48.381 15.934 1.00 62.02 ? 72 LEU c C 1 +ATOM 32870 O O . LEU U 3 54 ? -10.809 49.269 15.080 1.00 65.77 ? 72 LEU c O 1 +ATOM 32871 C CB . LEU U 3 54 ? -12.614 47.521 17.260 1.00 73.67 ? 72 LEU c CB 1 +ATOM 32872 C CG . LEU U 3 54 ? -13.353 48.857 17.179 1.00 83.14 ? 72 LEU c CG 1 +ATOM 32873 C CD1 . LEU U 3 54 ? -14.112 48.985 15.844 1.00 74.05 ? 72 LEU c CD1 1 +ATOM 32874 C CD2 . LEU U 3 54 ? -14.295 49.023 18.367 1.00 78.36 ? 72 LEU c CD2 1 +ATOM 32875 N N . ALA U 3 55 ? -9.625 48.322 16.748 1.00 65.95 ? 73 ALA c N 1 +ATOM 32876 C CA . ALA U 3 55 ? -8.584 49.345 16.673 1.00 69.00 ? 73 ALA c CA 1 +ATOM 32877 C C . ALA U 3 55 ? -7.940 49.409 15.298 1.00 71.30 ? 73 ALA c C 1 +ATOM 32878 O O . ALA U 3 55 ? -7.517 50.483 14.866 1.00 77.05 ? 73 ALA c O 1 +ATOM 32879 C CB . ALA U 3 55 ? -7.512 49.094 17.727 1.00 72.78 ? 73 ALA c CB 1 +ATOM 32880 N N . HIS U 3 56 ? -7.843 48.279 14.601 1.00 79.85 ? 74 HIS c N 1 +ATOM 32881 C CA . HIS U 3 56 ? -7.219 48.236 13.289 1.00 73.33 ? 74 HIS c CA 1 +ATOM 32882 C C . HIS U 3 56 ? -8.238 48.326 12.159 1.00 75.65 ? 74 HIS c C 1 +ATOM 32883 O O . HIS U 3 56 ? -7.856 48.241 10.992 1.00 99.19 ? 74 HIS c O 1 +ATOM 32884 C CB . HIS U 3 56 ? -6.376 46.958 13.162 1.00 68.23 ? 74 HIS c CB 1 +ATOM 32885 C CG . HIS U 3 56 ? -5.169 46.949 14.053 1.00 78.52 ? 74 HIS c CG 1 +ATOM 32886 N ND1 . HIS U 3 56 ? -3.880 46.901 13.562 1.00 63.47 ? 74 HIS c ND1 1 +ATOM 32887 C CD2 . HIS U 3 56 ? -5.054 47.005 15.405 1.00 58.41 ? 74 HIS c CD2 1 +ATOM 32888 C CE1 . HIS U 3 56 ? -3.024 46.931 14.570 1.00 61.56 ? 74 HIS c CE1 1 +ATOM 32889 N NE2 . HIS U 3 56 ? -3.712 46.987 15.697 1.00 63.78 ? 74 HIS c NE2 1 +ATOM 32890 N N . PHE U 3 57 ? -9.517 48.510 12.481 1.00 77.00 ? 75 PHE c N 1 +ATOM 32891 C CA . PHE U 3 57 ? -10.592 48.511 11.494 1.00 70.81 ? 75 PHE c CA 1 +ATOM 32892 C C . PHE U 3 57 ? -10.667 49.861 10.787 1.00 77.01 ? 75 PHE c C 1 +ATOM 32893 O O . PHE U 3 57 ? -10.777 50.905 11.442 1.00 70.50 ? 75 PHE c O 1 +ATOM 32894 C CB . PHE U 3 57 ? -11.912 48.193 12.190 1.00 66.72 ? 75 PHE c CB 1 +ATOM 32895 C CG . PHE U 3 57 ? -13.071 47.958 11.259 1.00 76.05 ? 75 PHE c CG 1 +ATOM 32896 C CD1 . PHE U 3 57 ? -12.953 47.113 10.173 1.00 71.98 ? 75 PHE c CD1 1 +ATOM 32897 C CD2 . PHE U 3 57 ? -14.303 48.552 11.508 1.00 84.51 ? 75 PHE c CD2 1 +ATOM 32898 C CE1 . PHE U 3 57 ? -14.040 46.873 9.329 1.00 76.08 ? 75 PHE c CE1 1 +ATOM 32899 C CE2 . PHE U 3 57 ? -15.394 48.316 10.670 1.00 91.59 ? 75 PHE c CE2 1 +ATOM 32900 C CZ . PHE U 3 57 ? -15.261 47.470 9.584 1.00 72.32 ? 75 PHE c CZ 1 +ATOM 32901 N N . ILE U 3 58 ? -10.598 49.840 9.457 1.00 66.92 ? 76 ILE c N 1 +ATOM 32902 C CA . ILE U 3 58 ? -10.931 50.969 8.596 1.00 61.83 ? 76 ILE c CA 1 +ATOM 32903 C C . ILE U 3 58 ? -12.256 50.640 7.912 1.00 70.08 ? 76 ILE c C 1 +ATOM 32904 O O . ILE U 3 58 ? -12.302 49.742 7.061 1.00 79.66 ? 76 ILE c O 1 +ATOM 32905 C CB . ILE U 3 58 ? -9.830 51.235 7.566 1.00 79.94 ? 76 ILE c CB 1 +ATOM 32906 C CG1 . ILE U 3 58 ? -8.573 51.757 8.265 1.00 85.70 ? 76 ILE c CG1 1 +ATOM 32907 C CG2 . ILE U 3 58 ? -10.326 52.198 6.488 1.00 74.62 ? 76 ILE c CG2 1 +ATOM 32908 C CD1 . ILE U 3 58 ? -7.316 51.645 7.408 1.00 87.16 ? 76 ILE c CD1 1 +ATOM 32909 N N . PRO U 3 59 ? -13.347 51.338 8.232 1.00 94.95 ? 77 PRO c N 1 +ATOM 32910 C CA . PRO U 3 59 ? -14.681 50.854 7.824 1.00 79.33 ? 77 PRO c CA 1 +ATOM 32911 C C . PRO U 3 59 ? -14.955 50.920 6.332 1.00 80.85 ? 77 PRO c C 1 +ATOM 32912 O O . PRO U 3 59 ? -15.850 50.207 5.861 1.00 77.34 ? 77 PRO c O 1 +ATOM 32913 C CB . PRO U 3 59 ? -15.641 51.777 8.590 1.00 81.29 ? 77 PRO c CB 1 +ATOM 32914 C CG . PRO U 3 59 ? -14.810 52.347 9.690 1.00 79.53 ? 77 PRO c CG 1 +ATOM 32915 C CD . PRO U 3 59 ? -13.440 52.506 9.117 1.00 75.76 ? 77 PRO c CD 1 +ATOM 32916 N N . GLU U 3 60 ? -14.251 51.752 5.566 1.00 63.97 ? 78 GLU c N 1 +ATOM 32917 C CA . GLU U 3 60 ? -14.564 51.760 4.143 1.00 73.00 ? 78 GLU c CA 1 +ATOM 32918 C C . GLU U 3 60 ? -13.815 50.678 3.361 1.00 73.98 ? 78 GLU c C 1 +ATOM 32919 O O . GLU U 3 60 ? -14.047 50.544 2.155 1.00 91.80 ? 78 GLU c O 1 +ATOM 32920 C CB . GLU U 3 60 ? -14.307 53.148 3.545 1.00 69.59 ? 78 GLU c CB 1 +ATOM 32921 C CG . GLU U 3 60 ? -12.943 53.732 3.818 1.00 94.33 ? 78 GLU c CG 1 +ATOM 32922 C CD . GLU U 3 60 ? -12.964 54.755 4.937 1.00 106.96 ? 78 GLU c CD 1 +ATOM 32923 O OE1 . GLU U 3 60 ? -13.765 54.600 5.888 1.00 83.27 ? 78 GLU c OE1 1 +ATOM 32924 O OE2 . GLU U 3 60 ? -12.185 55.727 4.851 1.00 125.32 ? 78 GLU c OE2 1 +ATOM 32925 N N . LYS U 3 61 ? -12.864 49.853 4.046 1.00 71.28 ? 79 LYS c N 1 +ATOM 32926 C CA . LYS U 3 61 ? -12.362 48.637 3.421 1.00 72.82 ? 79 LYS c CA 1 +ATOM 32927 C C . LYS U 3 61 ? -13.292 47.480 3.739 1.00 70.76 ? 79 LYS c C 1 +ATOM 32928 O O . LYS U 3 61 ? -13.887 47.432 4.823 1.00 71.15 ? 79 LYS c O 1 +ATOM 32929 C CB . LYS U 3 61 ? -10.961 48.288 3.915 1.00 63.25 ? 79 LYS c CB 1 +ATOM 32930 C CG . LYS U 3 61 ? -9.850 49.041 3.239 1.00 80.36 ? 79 LYS c CG 1 +ATOM 32931 C CD . LYS U 3 61 ? -8.518 48.811 3.926 1.00 70.64 ? 79 LYS c CD 1 +ATOM 32932 C CE . LYS U 3 61 ? -7.839 47.571 3.393 1.00 76.92 ? 79 LYS c CE 1 +ATOM 32933 N NZ . LYS U 3 61 ? -6.414 47.478 3.837 1.00 85.77 ? 79 LYS c NZ 1 +ATOM 32934 N N . PRO U 3 62 ? -13.448 46.541 2.815 1.00 70.23 ? 80 PRO c N 1 +ATOM 32935 C CA . PRO U 3 62 ? -14.141 45.305 3.169 1.00 68.65 ? 80 PRO c CA 1 +ATOM 32936 C C . PRO U 3 62 ? -13.431 44.677 4.354 1.00 67.27 ? 80 PRO c C 1 +ATOM 32937 O O . PRO U 3 62 ? -12.211 44.811 4.515 1.00 60.83 ? 80 PRO c O 1 +ATOM 32938 C CB . PRO U 3 62 ? -14.024 44.442 1.904 1.00 68.17 ? 80 PRO c CB 1 +ATOM 32939 C CG . PRO U 3 62 ? -13.648 45.404 0.806 1.00 73.42 ? 80 PRO c CG 1 +ATOM 32940 C CD . PRO U 3 62 ? -12.870 46.502 1.464 1.00 71.70 ? 80 PRO c CD 1 +ATOM 32941 N N . MET U 3 63 ? -14.224 44.047 5.224 1.00 60.57 ? 81 MET c N 1 +ATOM 32942 C CA . MET U 3 63 ? -13.661 43.346 6.373 1.00 65.37 ? 81 MET c CA 1 +ATOM 32943 C C . MET U 3 63 ? -12.600 42.350 5.929 1.00 77.26 ? 81 MET c C 1 +ATOM 32944 O O . MET U 3 63 ? -11.505 42.286 6.505 1.00 60.55 ? 81 MET c O 1 +ATOM 32945 C CB . MET U 3 63 ? -14.770 42.622 7.139 1.00 64.50 ? 81 MET c CB 1 +ATOM 32946 C CG . MET U 3 63 ? -15.662 43.514 7.965 1.00 66.41 ? 81 MET c CG 1 +ATOM 32947 S SD . MET U 3 63 ? -17.008 42.560 8.683 1.00 68.76 ? 81 MET c SD 1 +ATOM 32948 C CE . MET U 3 63 ? -18.048 43.880 9.304 1.00 71.01 ? 81 MET c CE 1 +ATOM 32949 N N . TYR U 3 64 ? -12.913 41.565 4.885 1.00 67.87 ? 82 TYR c N 1 +ATOM 32950 C CA . TYR U 3 64 ? -12.040 40.481 4.467 1.00 58.49 ? 82 TYR c CA 1 +ATOM 32951 C C . TYR U 3 64 ? -10.715 40.979 3.911 1.00 61.82 ? 82 TYR c C 1 +ATOM 32952 O O . TYR U 3 64 ? -9.810 40.170 3.694 1.00 62.28 ? 82 TYR c O 1 +ATOM 32953 C CB . TYR U 3 64 ? -12.754 39.595 3.449 1.00 58.24 ? 82 TYR c CB 1 +ATOM 32954 C CG . TYR U 3 64 ? -13.398 40.316 2.267 1.00 63.99 ? 82 TYR c CG 1 +ATOM 32955 C CD1 . TYR U 3 64 ? -12.626 40.797 1.210 1.00 58.00 ? 82 TYR c CD1 1 +ATOM 32956 C CD2 . TYR U 3 64 ? -14.782 40.479 2.199 1.00 54.33 ? 82 TYR c CD2 1 +ATOM 32957 C CE1 . TYR U 3 64 ? -13.215 41.425 0.113 1.00 56.99 ? 82 TYR c CE1 1 +ATOM 32958 C CE2 . TYR U 3 64 ? -15.374 41.108 1.119 1.00 58.55 ? 82 TYR c CE2 1 +ATOM 32959 C CZ . TYR U 3 64 ? -14.590 41.575 0.083 1.00 61.50 ? 82 TYR c CZ 1 +ATOM 32960 O OH . TYR U 3 64 ? -15.187 42.203 -0.981 1.00 61.86 ? 82 TYR c OH 1 +ATOM 32961 N N . GLU U 3 65 ? -10.567 42.280 3.694 1.00 56.97 ? 83 GLU c N 1 +ATOM 32962 C CA . GLU U 3 65 ? -9.274 42.829 3.326 1.00 58.15 ? 83 GLU c CA 1 +ATOM 32963 C C . GLU U 3 65 ? -8.453 43.211 4.542 1.00 58.81 ? 83 GLU c C 1 +ATOM 32964 O O . GLU U 3 65 ? -7.346 43.738 4.386 1.00 68.16 ? 83 GLU c O 1 +ATOM 32965 C CB . GLU U 3 65 ? -9.437 44.064 2.429 1.00 67.37 ? 83 GLU c CB 1 +ATOM 32966 C CG . GLU U 3 65 ? -10.050 43.800 1.058 1.00 63.60 ? 83 GLU c CG 1 +ATOM 32967 C CD . GLU U 3 65 ? -9.863 44.971 0.089 1.00 68.72 ? 83 GLU c CD 1 +ATOM 32968 O OE1 . GLU U 3 65 ? -9.332 46.022 0.487 1.00 66.07 ? 83 GLU c OE1 1 +ATOM 32969 O OE2 . GLU U 3 65 ? -10.240 44.830 -1.087 1.00 71.25 ? 83 GLU c OE2 1 +ATOM 32970 N N . GLN U 3 66 ? -8.963 42.977 5.752 1.00 57.20 ? 84 GLN c N 1 +ATOM 32971 C CA . GLN U 3 66 ? -8.348 43.567 6.932 1.00 64.15 ? 84 GLN c CA 1 +ATOM 32972 C C . GLN U 3 66 ? -7.936 42.541 7.978 1.00 69.32 ? 84 GLN c C 1 +ATOM 32973 O O . GLN U 3 66 ? -7.491 42.929 9.064 1.00 64.01 ? 84 GLN c O 1 +ATOM 32974 C CB . GLN U 3 66 ? -9.294 44.605 7.538 1.00 64.30 ? 84 GLN c CB 1 +ATOM 32975 C CG . GLN U 3 66 ? -9.631 45.744 6.564 1.00 71.61 ? 84 GLN c CG 1 +ATOM 32976 C CD . GLN U 3 66 ? -10.519 46.806 7.183 1.00 70.03 ? 84 GLN c CD 1 +ATOM 32977 O OE1 . GLN U 3 66 ? -10.091 47.536 8.072 1.00 69.26 ? 84 GLN c OE1 1 +ATOM 32978 N NE2 . GLN U 3 66 ? -11.769 46.871 6.742 1.00 62.08 ? 84 GLN c NE2 1 +ATOM 32979 N N . GLY U 3 67 ? -8.052 41.247 7.678 1.00 57.83 ? 85 GLY c N 1 +ATOM 32980 C CA . GLY U 3 67 ? -7.625 40.228 8.617 1.00 55.87 ? 85 GLY c CA 1 +ATOM 32981 C C . GLY U 3 67 ? -8.563 39.998 9.780 1.00 64.38 ? 85 GLY c C 1 +ATOM 32982 O O . GLY U 3 67 ? -8.114 39.612 10.867 1.00 59.38 ? 85 GLY c O 1 +ATOM 32983 N N . LEU U 3 68 ? -9.860 40.201 9.586 1.00 58.17 ? 86 LEU c N 1 +ATOM 32984 C CA . LEU U 3 68 ? -10.812 40.122 10.679 1.00 61.60 ? 86 LEU c CA 1 +ATOM 32985 C C . LEU U 3 68 ? -11.503 38.772 10.682 1.00 68.79 ? 86 LEU c C 1 +ATOM 32986 O O . LEU U 3 68 ? -11.938 38.275 9.635 1.00 57.58 ? 86 LEU c O 1 +ATOM 32987 C CB . LEU U 3 68 ? -11.858 41.234 10.574 1.00 64.94 ? 86 LEU c CB 1 +ATOM 32988 C CG . LEU U 3 68 ? -11.264 42.630 10.361 1.00 62.87 ? 86 LEU c CG 1 +ATOM 32989 C CD1 . LEU U 3 68 ? -12.365 43.671 10.275 1.00 66.51 ? 86 LEU c CD1 1 +ATOM 32990 C CD2 . LEU U 3 68 ? -10.238 42.981 11.440 1.00 58.87 ? 86 LEU c CD2 1 +ATOM 32991 N N . ILE U 3 69 ? -11.618 38.187 11.871 1.00 57.29 ? 87 ILE c N 1 +ATOM 32992 C CA . ILE U 3 69 ? -12.432 36.988 12.026 1.00 58.39 ? 87 ILE c CA 1 +ATOM 32993 C C . ILE U 3 69 ? -13.475 37.116 13.120 1.00 70.57 ? 87 ILE c C 1 +ATOM 32994 O O . ILE U 3 69 ? -14.472 36.361 13.113 1.00 59.68 ? 87 ILE c O 1 +ATOM 32995 C CB . ILE U 3 69 ? -11.534 35.749 12.267 1.00 60.95 ? 87 ILE c CB 1 +ATOM 32996 C CG1 . ILE U 3 69 ? -10.658 35.934 13.513 1.00 58.71 ? 87 ILE c CG1 1 +ATOM 32997 C CG2 . ILE U 3 69 ? -10.652 35.508 11.061 1.00 55.71 ? 87 ILE c CG2 1 +ATOM 32998 C CD1 . ILE U 3 69 ? -9.774 34.690 13.871 1.00 58.98 ? 87 ILE c CD1 1 +ATOM 32999 N N . LEU U 3 70 ? -13.334 38.067 14.052 1.00 56.75 ? 88 LEU c N 1 +ATOM 33000 C CA . LEU U 3 70 ? -14.321 38.219 15.112 1.00 67.53 ? 88 LEU c CA 1 +ATOM 33001 C C . LEU U 3 70 ? -15.419 39.193 14.718 1.00 57.05 ? 88 LEU c C 1 +ATOM 33002 O O . LEU U 3 70 ? -16.609 38.864 14.826 1.00 56.76 ? 88 LEU c O 1 +ATOM 33003 C CB . LEU U 3 70 ? -13.630 38.631 16.425 1.00 62.71 ? 88 LEU c CB 1 +ATOM 33004 C CG . LEU U 3 70 ? -12.690 37.556 16.991 1.00 60.92 ? 88 LEU c CG 1 +ATOM 33005 C CD1 . LEU U 3 70 ? -12.408 37.774 18.482 1.00 66.06 ? 88 LEU c CD1 1 +ATOM 33006 C CD2 . LEU U 3 70 ? -13.267 36.151 16.767 1.00 55.14 ? 88 LEU c CD2 1 +ATOM 33007 N N . ILE U 3 71 ? -15.036 40.385 14.258 1.00 60.86 ? 89 ILE c N 1 +ATOM 33008 C CA . ILE U 3 71 ? -16.035 41.347 13.781 1.00 61.69 ? 89 ILE c CA 1 +ATOM 33009 C C . ILE U 3 71 ? -16.976 40.748 12.744 1.00 67.22 ? 89 ILE c C 1 +ATOM 33010 O O . ILE U 3 71 ? -18.197 41.002 12.825 1.00 70.73 ? 89 ILE c O 1 +ATOM 33011 C CB . ILE U 3 71 ? -15.346 42.638 13.321 1.00 64.45 ? 89 ILE c CB 1 +ATOM 33012 C CG1 . ILE U 3 71 ? -14.831 43.409 14.544 1.00 65.10 ? 89 ILE c CG1 1 +ATOM 33013 C CG2 . ILE U 3 71 ? -16.340 43.528 12.594 1.00 72.91 ? 89 ILE c CG2 1 +ATOM 33014 C CD1 . ILE U 3 71 ? -14.004 44.633 14.243 1.00 69.41 ? 89 ILE c CD1 1 +ATOM 33015 N N . PRO U 3 72 ? -16.524 39.912 11.794 1.00 72.45 ? 90 PRO c N 1 +ATOM 33016 C CA . PRO U 3 72 ? -17.496 39.233 10.926 1.00 62.46 ? 90 PRO c CA 1 +ATOM 33017 C C . PRO U 3 72 ? -18.497 38.361 11.668 1.00 67.55 ? 90 PRO c C 1 +ATOM 33018 O O . PRO U 3 72 ? -19.645 38.232 11.216 1.00 62.02 ? 90 PRO c O 1 +ATOM 33019 C CB . PRO U 3 72 ? -16.613 38.391 10.000 1.00 71.22 ? 90 PRO c CB 1 +ATOM 33020 C CG . PRO U 3 72 ? -15.343 39.153 9.908 1.00 77.03 ? 90 PRO c CG 1 +ATOM 33021 C CD . PRO U 3 72 ? -15.147 39.779 11.265 1.00 62.55 ? 90 PRO c CD 1 +ATOM 33022 N N . HIS U 3 73 ? -18.088 37.710 12.761 1.00 55.00 ? 91 HIS c N 1 +ATOM 33023 C CA . HIS U 3 73 ? -19.043 36.965 13.581 1.00 74.36 ? 91 HIS c CA 1 +ATOM 33024 C C . HIS U 3 73 ? -20.083 37.888 14.215 1.00 61.03 ? 91 HIS c C 1 +ATOM 33025 O O . HIS U 3 73 ? -21.281 37.575 14.206 1.00 64.36 ? 91 HIS c O 1 +ATOM 33026 C CB . HIS U 3 73 ? -18.309 36.161 14.658 1.00 64.98 ? 91 HIS c CB 1 +ATOM 33027 C CG . HIS U 3 73 ? -17.749 34.863 14.161 1.00 67.80 ? 91 HIS c CG 1 +ATOM 33028 N ND1 . HIS U 3 73 ? -16.482 34.745 13.618 1.00 54.97 ? 91 HIS c ND1 1 +ATOM 33029 C CD2 . HIS U 3 73 ? -18.293 33.626 14.118 1.00 57.74 ? 91 HIS c CD2 1 +ATOM 33030 C CE1 . HIS U 3 73 ? -16.270 33.488 13.276 1.00 55.00 ? 91 HIS c CE1 1 +ATOM 33031 N NE2 . HIS U 3 73 ? -17.353 32.789 13.567 1.00 62.12 ? 91 HIS c NE2 1 +ATOM 33032 N N . ILE U 3 74 ? -19.654 39.028 14.761 1.00 66.25 ? 92 ILE c N 1 +ATOM 33033 C CA . ILE U 3 74 ? -20.607 39.954 15.372 1.00 67.05 ? 92 ILE c CA 1 +ATOM 33034 C C . ILE U 3 74 ? -21.524 40.545 14.307 1.00 73.95 ? 92 ILE c C 1 +ATOM 33035 O O . ILE U 3 74 ? -22.754 40.530 14.451 1.00 69.23 ? 92 ILE c O 1 +ATOM 33036 C CB . ILE U 3 74 ? -19.871 41.050 16.160 1.00 74.23 ? 92 ILE c CB 1 +ATOM 33037 C CG1 . ILE U 3 74 ? -18.900 40.417 17.163 1.00 62.60 ? 92 ILE c CG1 1 +ATOM 33038 C CG2 . ILE U 3 74 ? -20.871 41.984 16.865 1.00 65.85 ? 92 ILE c CG2 1 +ATOM 33039 C CD1 . ILE U 3 74 ? -17.816 41.374 17.621 1.00 61.79 ? 92 ILE c CD1 1 +ATOM 33040 N N . ALA U 3 75 ? -20.936 41.041 13.209 1.00 61.70 ? 93 ALA c N 1 +ATOM 33041 C CA . ALA U 3 75 ? -21.718 41.575 12.092 1.00 62.60 ? 93 ALA c CA 1 +ATOM 33042 C C . ALA U 3 75 ? -22.799 40.604 11.638 1.00 68.00 ? 93 ALA c C 1 +ATOM 33043 O O . ALA U 3 75 ? -23.935 41.010 11.374 1.00 72.47 ? 93 ALA c O 1 +ATOM 33044 C CB . ALA U 3 75 ? -20.796 41.915 10.917 1.00 60.65 ? 93 ALA c CB 1 +ATOM 33045 N N . THR U 3 76 ? -22.467 39.311 11.560 1.00 66.21 ? 94 THR c N 1 +ATOM 33046 C CA . THR U 3 76 ? -23.412 38.321 11.053 1.00 67.70 ? 94 THR c CA 1 +ATOM 33047 C C . THR U 3 76 ? -24.665 38.257 11.918 1.00 78.54 ? 94 THR c C 1 +ATOM 33048 O O . THR U 3 76 ? -25.770 38.031 11.401 1.00 65.87 ? 94 THR c O 1 +ATOM 33049 C CB . THR U 3 76 ? -22.714 36.948 10.961 1.00 83.26 ? 94 THR c CB 1 +ATOM 33050 O OG1 . THR U 3 76 ? -21.622 37.037 10.029 1.00 71.05 ? 94 THR c OG1 1 +ATOM 33051 C CG2 . THR U 3 76 ? -23.689 35.807 10.511 1.00 56.97 ? 94 THR c CG2 1 +ATOM 33052 N N . LEU U 3 77 ? -24.518 38.477 13.230 1.00 75.36 ? 95 LEU c N 1 +ATOM 33053 C CA . LEU U 3 77 ? -25.647 38.461 14.156 1.00 87.85 ? 95 LEU c CA 1 +ATOM 33054 C C . LEU U 3 77 ? -26.504 39.726 14.089 1.00 80.12 ? 95 LEU c C 1 +ATOM 33055 O O . LEU U 3 77 ? -27.485 39.821 14.827 1.00 74.20 ? 95 LEU c O 1 +ATOM 33056 C CB . LEU U 3 77 ? -25.142 38.232 15.582 1.00 73.08 ? 95 LEU c CB 1 +ATOM 33057 C CG . LEU U 3 77 ? -24.569 36.824 15.781 1.00 78.56 ? 95 LEU c CG 1 +ATOM 33058 C CD1 . LEU U 3 77 ? -23.740 36.728 17.056 1.00 73.65 ? 95 LEU c CD1 1 +ATOM 33059 C CD2 . LEU U 3 77 ? -25.695 35.800 15.794 1.00 60.47 ? 95 LEU c CD2 1 +ATOM 33060 N N . GLY U 3 78 ? -26.187 40.667 13.203 1.00 72.65 ? 96 GLY c N 1 +ATOM 33061 C CA . GLY U 3 78 ? -27.033 41.813 12.954 1.00 68.28 ? 96 GLY c CA 1 +ATOM 33062 C C . GLY U 3 78 ? -26.591 43.090 13.627 1.00 88.28 ? 96 GLY c C 1 +ATOM 33063 O O . GLY U 3 78 ? -27.324 44.081 13.576 1.00 89.67 ? 96 GLY c O 1 +ATOM 33064 N N . TRP U 3 79 ? -25.422 43.103 14.250 1.00 76.30 ? 97 TRP c N 1 +ATOM 33065 C CA . TRP U 3 79 ? -24.957 44.250 15.011 1.00 79.61 ? 97 TRP c CA 1 +ATOM 33066 C C . TRP U 3 79 ? -23.978 45.062 14.175 1.00 63.13 ? 97 TRP c C 1 +ATOM 33067 O O . TRP U 3 79 ? -22.954 44.540 13.722 1.00 69.27 ? 97 TRP c O 1 +ATOM 33068 C CB . TRP U 3 79 ? -24.302 43.801 16.320 1.00 66.00 ? 97 TRP c CB 1 +ATOM 33069 C CG . TRP U 3 79 ? -25.275 43.559 17.434 1.00 75.86 ? 97 TRP c CG 1 +ATOM 33070 C CD1 . TRP U 3 79 ? -26.269 44.394 17.843 1.00 75.49 ? 97 TRP c CD1 1 +ATOM 33071 C CD2 . TRP U 3 79 ? -25.326 42.418 18.304 1.00 91.71 ? 97 TRP c CD2 1 +ATOM 33072 N NE1 . TRP U 3 79 ? -26.950 43.841 18.897 1.00 82.24 ? 97 TRP c NE1 1 +ATOM 33073 C CE2 . TRP U 3 79 ? -26.387 42.632 19.208 1.00 85.95 ? 97 TRP c CE2 1 +ATOM 33074 C CE3 . TRP U 3 79 ? -24.583 41.235 18.402 1.00 93.31 ? 97 TRP c CE3 1 +ATOM 33075 C CZ2 . TRP U 3 79 ? -26.724 41.710 20.203 1.00 78.16 ? 97 TRP c CZ2 1 +ATOM 33076 C CZ3 . TRP U 3 79 ? -24.921 40.315 19.395 1.00 93.91 ? 97 TRP c CZ3 1 +ATOM 33077 C CH2 . TRP U 3 79 ? -25.986 40.560 20.277 1.00 76.82 ? 97 TRP c CH2 1 +ATOM 33078 N N . GLY U 3 80 ? -24.289 46.336 13.983 1.00 68.49 ? 98 GLY c N 1 +ATOM 33079 C CA . GLY U 3 80 ? -23.328 47.283 13.468 1.00 67.77 ? 98 GLY c CA 1 +ATOM 33080 C C . GLY U 3 80 ? -23.335 47.465 11.970 1.00 77.81 ? 98 GLY c C 1 +ATOM 33081 O O . GLY U 3 80 ? -22.507 48.232 11.460 1.00 69.66 ? 98 GLY c O 1 +ATOM 33082 N N . VAL U 3 81 ? -24.247 46.804 11.255 1.00 65.59 ? 99 VAL c N 1 +ATOM 33083 C CA . VAL U 3 81 ? -24.225 46.759 9.798 1.00 75.62 ? 99 VAL c CA 1 +ATOM 33084 C C . VAL U 3 81 ? -25.625 46.989 9.251 1.00 74.40 ? 99 VAL c C 1 +ATOM 33085 O O . VAL U 3 81 ? -26.628 46.642 9.881 1.00 76.15 ? 99 VAL c O 1 +ATOM 33086 C CB . VAL U 3 81 ? -23.674 45.408 9.254 1.00 73.61 ? 99 VAL c CB 1 +ATOM 33087 C CG1 . VAL U 3 81 ? -22.182 45.258 9.555 1.00 68.42 ? 99 VAL c CG1 1 +ATOM 33088 C CG2 . VAL U 3 81 ? -24.496 44.226 9.773 1.00 58.22 ? 99 VAL c CG2 1 +ATOM 33089 N N . GLY U 3 82 ? -25.686 47.523 8.039 1.00 62.32 ? 100 GLY c N 1 +ATOM 33090 C CA . GLY U 3 82 ? -26.951 47.724 7.382 1.00 76.42 ? 100 GLY c CA 1 +ATOM 33091 C C . GLY U 3 82 ? -27.038 47.065 6.022 1.00 77.29 ? 100 GLY c C 1 +ATOM 33092 O O . GLY U 3 82 ? -26.448 46.011 5.773 1.00 81.71 ? 100 GLY c O 1 +ATOM 33093 N N . PRO U 3 83 ? -27.788 47.689 5.112 1.00 94.14 ? 101 PRO c N 1 +ATOM 33094 C CA . PRO U 3 83 ? -27.986 47.106 3.778 1.00 75.88 ? 101 PRO c CA 1 +ATOM 33095 C C . PRO U 3 83 ? -26.668 46.870 3.055 1.00 81.01 ? 101 PRO c C 1 +ATOM 33096 O O . PRO U 3 83 ? -25.772 47.720 3.052 1.00 73.51 ? 101 PRO c O 1 +ATOM 33097 C CB . PRO U 3 83 ? -28.832 48.163 3.059 1.00 80.41 ? 101 PRO c CB 1 +ATOM 33098 C CG . PRO U 3 83 ? -29.523 48.886 4.142 1.00 77.49 ? 101 PRO c CG 1 +ATOM 33099 C CD . PRO U 3 83 ? -28.539 48.943 5.277 1.00 74.96 ? 101 PRO c CD 1 +ATOM 33100 N N . GLY U 3 84 ? -26.560 45.697 2.431 1.00 80.17 ? 102 GLY c N 1 +ATOM 33101 C CA . GLY U 3 84 ? -25.334 45.316 1.769 1.00 71.79 ? 102 GLY c CA 1 +ATOM 33102 C C . GLY U 3 84 ? -24.175 45.039 2.692 1.00 82.22 ? 102 GLY c C 1 +ATOM 33103 O O . GLY U 3 84 ? -23.052 44.866 2.212 1.00 76.21 ? 102 GLY c O 1 +ATOM 33104 N N . GLY U 3 85 ? -24.411 44.998 4.005 1.00 76.62 ? 103 GLY c N 1 +ATOM 33105 C CA . GLY U 3 85 ? -23.349 44.725 4.947 1.00 68.39 ? 103 GLY c CA 1 +ATOM 33106 C C . GLY U 3 85 ? -22.428 45.890 5.185 1.00 71.07 ? 103 GLY c C 1 +ATOM 33107 O O . GLY U 3 85 ? -21.316 45.700 5.688 1.00 68.32 ? 103 GLY c O 1 +ATOM 33108 N N . GLU U 3 86 ? -22.853 47.096 4.830 1.00 70.82 ? 104 GLU c N 1 +ATOM 33109 C CA . GLU U 3 86 ? -22.101 48.283 5.199 1.00 79.51 ? 104 GLU c CA 1 +ATOM 33110 C C . GLU U 3 86 ? -22.070 48.432 6.716 1.00 83.62 ? 104 GLU c C 1 +ATOM 33111 O O . GLU U 3 86 ? -23.068 48.186 7.398 1.00 68.71 ? 104 GLU c O 1 +ATOM 33112 C CB . GLU U 3 86 ? -22.739 49.516 4.569 1.00 82.89 ? 104 GLU c CB 1 +ATOM 33113 C CG . GLU U 3 86 ? -21.899 50.752 4.670 1.00 97.43 ? 104 GLU c CG 1 +ATOM 33114 C CD . GLU U 3 86 ? -22.496 51.892 3.892 1.00 114.35 ? 104 GLU c CD 1 +ATOM 33115 O OE1 . GLU U 3 86 ? -23.602 51.703 3.331 1.00 120.57 ? 104 GLU c OE1 1 +ATOM 33116 O OE2 . GLU U 3 86 ? -21.866 52.971 3.843 1.00 120.22 ? 104 GLU c OE2 1 +ATOM 33117 N N . VAL U 3 87 ? -20.921 48.841 7.247 1.00 71.69 ? 105 VAL c N 1 +ATOM 33118 C CA . VAL U 3 87 ? -20.814 49.111 8.678 1.00 73.11 ? 105 VAL c CA 1 +ATOM 33119 C C . VAL U 3 87 ? -21.357 50.507 8.961 1.00 86.08 ? 105 VAL c C 1 +ATOM 33120 O O . VAL U 3 87 ? -20.806 51.508 8.496 1.00 82.99 ? 105 VAL c O 1 +ATOM 33121 C CB . VAL U 3 87 ? -19.368 48.990 9.174 1.00 89.97 ? 105 VAL c CB 1 +ATOM 33122 C CG1 . VAL U 3 87 ? -19.303 49.365 10.642 1.00 79.30 ? 105 VAL c CG1 1 +ATOM 33123 C CG2 . VAL U 3 87 ? -18.833 47.593 8.949 1.00 71.34 ? 105 VAL c CG2 1 +ATOM 33124 N N . VAL U 3 88 ? -22.416 50.581 9.761 1.00 74.25 ? 106 VAL c N 1 +ATOM 33125 C CA . VAL U 3 88 ? -23.033 51.849 10.104 1.00 77.91 ? 106 VAL c CA 1 +ATOM 33126 C C . VAL U 3 88 ? -22.625 52.320 11.504 1.00 75.75 ? 106 VAL c C 1 +ATOM 33127 O O . VAL U 3 88 ? -22.644 53.525 11.773 1.00 79.22 ? 106 VAL c O 1 +ATOM 33128 C CB . VAL U 3 88 ? -24.576 51.767 9.982 1.00 70.25 ? 106 VAL c CB 1 +ATOM 33129 C CG1 . VAL U 3 88 ? -24.990 51.530 8.551 1.00 69.97 ? 106 VAL c CG1 1 +ATOM 33130 C CG2 . VAL U 3 88 ? -25.104 50.661 10.867 1.00 68.52 ? 106 VAL c CG2 1 +ATOM 33131 N N . ASP U 3 89 ? -22.253 51.413 12.401 1.00 83.01 ? 107 ASP c N 1 +ATOM 33132 C CA . ASP U 3 89 ? -22.017 51.743 13.805 1.00 73.03 ? 107 ASP c CA 1 +ATOM 33133 C C . ASP U 3 89 ? -21.063 50.714 14.405 1.00 75.91 ? 107 ASP c C 1 +ATOM 33134 O O . ASP U 3 89 ? -21.463 49.573 14.623 1.00 69.45 ? 107 ASP c O 1 +ATOM 33135 C CB . ASP U 3 89 ? -23.354 51.783 14.551 1.00 79.67 ? 107 ASP c CB 1 +ATOM 33136 C CG . ASP U 3 89 ? -23.207 52.077 16.052 1.00 83.60 ? 107 ASP c CG 1 +ATOM 33137 O OD1 . ASP U 3 89 ? -22.222 52.719 16.476 1.00 78.34 ? 107 ASP c OD1 1 +ATOM 33138 O OD2 . ASP U 3 89 ? -24.107 51.633 16.815 1.00 92.17 ? 107 ASP c OD2 1 +ATOM 33139 N N . THR U 3 90 ? -19.832 51.131 14.720 1.00 65.91 ? 108 THR c N 1 +ATOM 33140 C CA . THR U 3 90 ? -18.843 50.232 15.300 1.00 62.01 ? 108 THR c CA 1 +ATOM 33141 C C . THR U 3 90 ? -18.961 50.082 16.810 1.00 80.48 ? 108 THR c C 1 +ATOM 33142 O O . THR U 3 90 ? -18.219 49.278 17.396 1.00 76.59 ? 108 THR c O 1 +ATOM 33143 C CB . THR U 3 90 ? -17.430 50.711 14.989 1.00 72.73 ? 108 THR c CB 1 +ATOM 33144 O OG1 . THR U 3 90 ? -17.256 52.038 15.488 1.00 74.46 ? 108 THR c OG1 1 +ATOM 33145 C CG2 . THR U 3 90 ? -17.174 50.708 13.494 1.00 76.76 ? 108 THR c CG2 1 +ATOM 33146 N N . PHE U 3 91 ? -19.858 50.830 17.448 1.00 77.56 ? 109 PHE c N 1 +ATOM 33147 C CA . PHE U 3 91 ? -19.998 50.736 18.897 1.00 75.00 ? 109 PHE c CA 1 +ATOM 33148 C C . PHE U 3 91 ? -20.418 49.347 19.376 1.00 73.95 ? 109 PHE c C 1 +ATOM 33149 O O . PHE U 3 91 ? -19.877 48.898 20.404 1.00 69.06 ? 109 PHE c O 1 +ATOM 33150 C CB . PHE U 3 91 ? -20.976 51.811 19.402 1.00 86.50 ? 109 PHE c CB 1 +ATOM 33151 C CG . PHE U 3 91 ? -21.083 51.871 20.911 1.00 86.64 ? 109 PHE c CG 1 +ATOM 33152 C CD1 . PHE U 3 91 ? -20.021 52.340 21.674 1.00 71.07 ? 109 PHE c CD1 1 +ATOM 33153 C CD2 . PHE U 3 91 ? -22.229 51.434 21.562 1.00 79.35 ? 109 PHE c CD2 1 +ATOM 33154 C CE1 . PHE U 3 91 ? -20.105 52.376 23.053 1.00 80.66 ? 109 PHE c CE1 1 +ATOM 33155 C CE2 . PHE U 3 91 ? -22.319 51.474 22.939 1.00 86.29 ? 109 PHE c CE2 1 +ATOM 33156 C CZ . PHE U 3 91 ? -21.258 51.943 23.685 1.00 71.00 ? 109 PHE c CZ 1 +ATOM 33157 N N . PRO U 3 92 ? -21.347 48.630 18.725 1.00 80.21 ? 110 PRO c N 1 +ATOM 33158 C CA . PRO U 3 92 ? -21.643 47.260 19.190 1.00 77.01 ? 110 PRO c CA 1 +ATOM 33159 C C . PRO U 3 92 ? -20.430 46.340 19.180 1.00 79.23 ? 110 PRO c C 1 +ATOM 33160 O O . PRO U 3 92 ? -20.332 45.467 20.048 1.00 72.80 ? 110 PRO c O 1 +ATOM 33161 C CB . PRO U 3 92 ? -22.731 46.779 18.220 1.00 74.31 ? 110 PRO c CB 1 +ATOM 33162 C CG . PRO U 3 92 ? -23.365 48.038 17.709 1.00 73.94 ? 110 PRO c CG 1 +ATOM 33163 C CD . PRO U 3 92 ? -22.247 49.042 17.627 1.00 67.29 ? 110 PRO c CD 1 +ATOM 33164 N N . PHE U 3 93 ? -19.489 46.514 18.247 1.00 75.03 ? 111 PHE c N 1 +ATOM 33165 C CA . PHE U 3 93 ? -18.270 45.710 18.293 1.00 74.71 ? 111 PHE c CA 1 +ATOM 33166 C C . PHE U 3 93 ? -17.479 46.019 19.555 1.00 67.95 ? 111 PHE c C 1 +ATOM 33167 O O . PHE U 3 93 ? -17.063 45.109 20.283 1.00 83.22 ? 111 PHE c O 1 +ATOM 33168 C CB . PHE U 3 93 ? -17.402 45.953 17.051 1.00 63.85 ? 111 PHE c CB 1 +ATOM 33169 C CG . PHE U 3 93 ? -18.137 45.797 15.749 1.00 69.29 ? 111 PHE c CG 1 +ATOM 33170 C CD1 . PHE U 3 93 ? -19.074 44.784 15.576 1.00 71.99 ? 111 PHE c CD1 1 +ATOM 33171 C CD2 . PHE U 3 93 ? -17.899 46.674 14.700 1.00 63.25 ? 111 PHE c CD2 1 +ATOM 33172 C CE1 . PHE U 3 93 ? -19.756 44.647 14.380 1.00 69.97 ? 111 PHE c CE1 1 +ATOM 33173 C CE2 . PHE U 3 93 ? -18.569 46.532 13.509 1.00 70.25 ? 111 PHE c CE2 1 +ATOM 33174 C CZ . PHE U 3 93 ? -19.504 45.518 13.350 1.00 69.70 ? 111 PHE c CZ 1 +ATOM 33175 N N . PHE U 3 94 ? -17.267 47.310 19.827 1.00 87.35 ? 112 PHE c N 1 +ATOM 33176 C CA . PHE U 3 94 ? -16.560 47.751 21.028 1.00 72.01 ? 112 PHE c CA 1 +ATOM 33177 C C . PHE U 3 94 ? -17.161 47.160 22.294 1.00 69.62 ? 112 PHE c C 1 +ATOM 33178 O O . PHE U 3 94 ? -16.435 46.769 23.215 1.00 69.73 ? 112 PHE c O 1 +ATOM 33179 C CB . PHE U 3 94 ? -16.599 49.274 21.092 1.00 76.47 ? 112 PHE c CB 1 +ATOM 33180 C CG . PHE U 3 94 ? -15.796 49.854 22.204 1.00 77.30 ? 112 PHE c CG 1 +ATOM 33181 C CD1 . PHE U 3 94 ? -14.411 49.872 22.137 1.00 72.67 ? 112 PHE c CD1 1 +ATOM 33182 C CD2 . PHE U 3 94 ? -16.426 50.407 23.316 1.00 82.60 ? 112 PHE c CD2 1 +ATOM 33183 C CE1 . PHE U 3 94 ? -13.658 50.425 23.169 1.00 87.20 ? 112 PHE c CE1 1 +ATOM 33184 C CE2 . PHE U 3 94 ? -15.689 50.962 24.347 1.00 76.54 ? 112 PHE c CE2 1 +ATOM 33185 C CZ . PHE U 3 94 ? -14.299 50.972 24.278 1.00 81.92 ? 112 PHE c CZ 1 +ATOM 33186 N N . VAL U 3 95 ? -18.492 47.096 22.359 1.00 75.87 ? 113 VAL c N 1 +ATOM 33187 C CA . VAL U 3 95 ? -19.165 46.604 23.559 1.00 72.43 ? 113 VAL c CA 1 +ATOM 33188 C C . VAL U 3 95 ? -18.867 45.129 23.768 1.00 80.87 ? 113 VAL c C 1 +ATOM 33189 O O . VAL U 3 95 ? -18.479 44.706 24.867 1.00 71.35 ? 113 VAL c O 1 +ATOM 33190 C CB . VAL U 3 95 ? -20.679 46.866 23.461 1.00 81.77 ? 113 VAL c CB 1 +ATOM 33191 C CG1 . VAL U 3 95 ? -21.456 46.004 24.461 1.00 79.14 ? 113 VAL c CG1 1 +ATOM 33192 C CG2 . VAL U 3 95 ? -20.967 48.348 23.666 1.00 75.61 ? 113 VAL c CG2 1 +ATOM 33193 N N . VAL U 3 96 ? -19.068 44.324 22.718 1.00 77.58 ? 114 VAL c N 1 +ATOM 33194 C CA . VAL U 3 96 ? -18.786 42.894 22.782 1.00 70.08 ? 114 VAL c CA 1 +ATOM 33195 C C . VAL U 3 96 ? -17.370 42.659 23.287 1.00 64.62 ? 114 VAL c C 1 +ATOM 33196 O O . VAL U 3 96 ? -17.138 41.827 24.171 1.00 67.25 ? 114 VAL c O 1 +ATOM 33197 C CB . VAL U 3 96 ? -19.011 42.249 21.402 1.00 74.63 ? 114 VAL c CB 1 +ATOM 33198 C CG1 . VAL U 3 96 ? -18.420 40.852 21.369 1.00 62.10 ? 114 VAL c CG1 1 +ATOM 33199 C CG2 . VAL U 3 96 ? -20.497 42.214 21.073 1.00 67.58 ? 114 VAL c CG2 1 +ATOM 33200 N N . GLY U 3 97 ? -16.402 43.404 22.744 1.00 55.74 ? 115 GLY c N 1 +ATOM 33201 C CA . GLY U 3 97 ? -15.025 43.217 23.175 1.00 68.09 ? 115 GLY c CA 1 +ATOM 33202 C C . GLY U 3 97 ? -14.828 43.547 24.642 1.00 78.41 ? 115 GLY c C 1 +ATOM 33203 O O . GLY U 3 97 ? -14.223 42.777 25.396 1.00 73.64 ? 115 GLY c O 1 +ATOM 33204 N N . VAL U 3 98 ? -15.345 44.707 25.061 1.00 83.24 ? 116 VAL c N 1 +ATOM 33205 C CA . VAL U 3 98 ? -15.210 45.166 26.440 1.00 68.98 ? 116 VAL c CA 1 +ATOM 33206 C C . VAL U 3 98 ? -15.825 44.156 27.404 1.00 62.72 ? 116 VAL c C 1 +ATOM 33207 O O . VAL U 3 98 ? -15.190 43.732 28.377 1.00 62.09 ? 116 VAL c O 1 +ATOM 33208 C CB . VAL U 3 98 ? -15.844 46.570 26.583 1.00 87.46 ? 116 VAL c CB 1 +ATOM 33209 C CG1 . VAL U 3 98 ? -16.254 46.888 28.042 1.00 72.14 ? 116 VAL c CG1 1 +ATOM 33210 C CG2 . VAL U 3 98 ? -14.894 47.626 26.044 1.00 66.51 ? 116 VAL c CG2 1 +ATOM 33211 N N . VAL U 3 99 ? -17.064 43.738 27.139 1.00 64.78 ? 117 VAL c N 1 +ATOM 33212 C CA . VAL U 3 99 ? -17.764 42.901 28.108 1.00 63.32 ? 117 VAL c CA 1 +ATOM 33213 C C . VAL U 3 99 ? -17.076 41.549 28.248 1.00 86.87 ? 117 VAL c C 1 +ATOM 33214 O O . VAL U 3 99 ? -16.954 41.013 29.358 1.00 79.22 ? 117 VAL c O 1 +ATOM 33215 C CB . VAL U 3 99 ? -19.249 42.755 27.724 1.00 74.86 ? 117 VAL c CB 1 +ATOM 33216 C CG1 . VAL U 3 99 ? -19.965 41.870 28.738 1.00 74.56 ? 117 VAL c CG1 1 +ATOM 33217 C CG2 . VAL U 3 99 ? -19.911 44.129 27.666 1.00 71.98 ? 117 VAL c CG2 1 +ATOM 33218 N N . HIS U 3 100 ? -16.607 40.973 27.132 1.00 68.57 ? 118 HIS c N 1 +ATOM 33219 C CA . HIS U 3 100 ? -15.808 39.756 27.227 1.00 78.37 ? 118 HIS c CA 1 +ATOM 33220 C C . HIS U 3 100 ? -14.527 39.999 28.024 1.00 69.20 ? 118 HIS c C 1 +ATOM 33221 O O . HIS U 3 100 ? -14.115 39.157 28.825 1.00 63.29 ? 118 HIS c O 1 +ATOM 33222 C CB . HIS U 3 100 ? -15.479 39.213 25.824 1.00 74.54 ? 118 HIS c CB 1 +ATOM 33223 C CG . HIS U 3 100 ? -16.567 38.369 25.222 1.00 61.07 ? 118 HIS c CG 1 +ATOM 33224 N ND1 . HIS U 3 100 ? -17.586 38.897 24.456 1.00 63.04 ? 118 HIS c ND1 1 +ATOM 33225 C CD2 . HIS U 3 100 ? -16.788 37.033 25.268 1.00 65.69 ? 118 HIS c CD2 1 +ATOM 33226 C CE1 . HIS U 3 100 ? -18.389 37.923 24.060 1.00 70.53 ? 118 HIS c CE1 1 +ATOM 33227 N NE2 . HIS U 3 100 ? -17.927 36.780 24.536 1.00 69.50 ? 118 HIS c NE2 1 +ATOM 33228 N N . LEU U 3 101 ? -13.880 41.142 27.813 1.00 65.14 ? 119 LEU c N 1 +ATOM 33229 C CA . LEU U 3 101 ? -12.587 41.369 28.448 1.00 70.07 ? 119 LEU c CA 1 +ATOM 33230 C C . LEU U 3 101 ? -12.725 41.616 29.953 1.00 84.12 ? 119 LEU c C 1 +ATOM 33231 O O . LEU U 3 101 ? -11.904 41.129 30.738 1.00 76.03 ? 119 LEU c O 1 +ATOM 33232 C CB . LEU U 3 101 ? -11.877 42.542 27.773 1.00 60.25 ? 119 LEU c CB 1 +ATOM 33233 C CG . LEU U 3 101 ? -10.450 42.756 28.271 1.00 76.24 ? 119 LEU c CG 1 +ATOM 33234 C CD1 . LEU U 3 101 ? -9.602 41.539 27.908 1.00 75.17 ? 119 LEU c CD1 1 +ATOM 33235 C CD2 . LEU U 3 101 ? -9.850 44.047 27.723 1.00 67.16 ? 119 LEU c CD2 1 +ATOM 33236 N N . ILE U 3 102 ? -13.732 42.395 30.373 1.00 67.30 ? 120 ILE c N 1 +ATOM 33237 C CA . ILE U 3 102 ? -13.981 42.592 31.802 1.00 74.10 ? 120 ILE c CA 1 +ATOM 33238 C C . ILE U 3 102 ? -14.297 41.257 32.468 1.00 80.60 ? 120 ILE c C 1 +ATOM 33239 O O . ILE U 3 102 ? -13.715 40.906 33.504 1.00 71.35 ? 120 ILE c O 1 +ATOM 33240 C CB . ILE U 3 102 ? -15.119 43.612 32.028 1.00 80.91 ? 120 ILE c CB 1 +ATOM 33241 C CG1 . ILE U 3 102 ? -14.741 45.025 31.541 1.00 71.04 ? 120 ILE c CG1 1 +ATOM 33242 C CG2 . ILE U 3 102 ? -15.561 43.630 33.505 1.00 63.76 ? 120 ILE c CG2 1 +ATOM 33243 C CD1 . ILE U 3 102 ? -13.436 45.555 32.090 1.00 82.03 ? 120 ILE c CD1 1 +ATOM 33244 N N . SER U 3 103 ? -15.216 40.487 31.868 1.00 71.46 ? 121 SER c N 1 +ATOM 33245 C CA . SER U 3 103 ? -15.618 39.203 32.437 1.00 78.65 ? 121 SER c CA 1 +ATOM 33246 C C . SER U 3 103 ? -14.466 38.210 32.564 1.00 75.16 ? 121 SER c C 1 +ATOM 33247 O O . SER U 3 103 ? -14.531 37.325 33.424 1.00 70.93 ? 121 SER c O 1 +ATOM 33248 C CB . SER U 3 103 ? -16.734 38.583 31.601 1.00 64.52 ? 121 SER c CB 1 +ATOM 33249 O OG . SER U 3 103 ? -17.774 39.515 31.373 1.00 76.57 ? 121 SER c OG 1 +ATOM 33250 N N . SER U 3 104 ? -13.413 38.326 31.750 1.00 66.00 ? 122 SER c N 1 +ATOM 33251 C CA . SER U 3 104 ? -12.299 37.394 31.910 1.00 76.64 ? 122 SER c CA 1 +ATOM 33252 C C . SER U 3 104 ? -11.581 37.606 33.236 1.00 70.80 ? 122 SER c C 1 +ATOM 33253 O O . SER U 3 104 ? -10.994 36.661 33.782 1.00 74.10 ? 122 SER c O 1 +ATOM 33254 C CB . SER U 3 104 ? -11.320 37.510 30.738 1.00 63.70 ? 122 SER c CB 1 +ATOM 33255 O OG . SER U 3 104 ? -10.468 38.636 30.814 1.00 64.02 ? 122 SER c OG 1 +ATOM 33256 N N . ALA U 3 105 ? -11.622 38.832 33.767 1.00 77.34 ? 123 ALA c N 1 +ATOM 33257 C CA . ALA U 3 105 ? -11.060 39.089 35.092 1.00 81.26 ? 123 ALA c CA 1 +ATOM 33258 C C . ALA U 3 105 ? -11.812 38.316 36.168 1.00 66.20 ? 123 ALA c C 1 +ATOM 33259 O O . ALA U 3 105 ? -11.196 37.715 37.056 1.00 66.96 ? 123 ALA c O 1 +ATOM 33260 C CB . ALA U 3 105 ? -11.081 40.590 35.390 1.00 81.37 ? 123 ALA c CB 1 +ATOM 33261 N N . VAL U 3 106 ? -13.146 38.297 36.088 1.00 71.53 ? 124 VAL c N 1 +ATOM 33262 C CA . VAL U 3 106 ? -13.934 37.513 37.034 1.00 68.42 ? 124 VAL c CA 1 +ATOM 33263 C C . VAL U 3 106 ? -13.555 36.043 36.957 1.00 88.16 ? 124 VAL c C 1 +ATOM 33264 O O . VAL U 3 106 ? -13.363 35.385 37.987 1.00 78.43 ? 124 VAL c O 1 +ATOM 33265 C CB . VAL U 3 106 ? -15.438 37.717 36.782 1.00 83.29 ? 124 VAL c CB 1 +ATOM 33266 C CG1 . VAL U 3 106 ? -16.257 36.878 37.767 1.00 82.10 ? 124 VAL c CG1 1 +ATOM 33267 C CG2 . VAL U 3 106 ? -15.798 39.195 36.886 1.00 84.05 ? 124 VAL c CG2 1 +ATOM 33268 N N . LEU U 3 107 ? -13.441 35.498 35.737 1.00 81.82 ? 125 LEU c N 1 +ATOM 33269 C CA . LEU U 3 107 ? -13.134 34.074 35.612 1.00 78.42 ? 125 LEU c CA 1 +ATOM 33270 C C . LEU U 3 107 ? -11.705 33.774 36.050 1.00 68.28 ? 125 LEU c C 1 +ATOM 33271 O O . LEU U 3 107 ? -11.469 32.809 36.784 1.00 66.36 ? 125 LEU c O 1 +ATOM 33272 C CB . LEU U 3 107 ? -13.376 33.604 34.177 1.00 85.62 ? 125 LEU c CB 1 +ATOM 33273 C CG . LEU U 3 107 ? -14.840 33.646 33.736 1.00 71.61 ? 125 LEU c CG 1 +ATOM 33274 C CD1 . LEU U 3 107 ? -14.959 33.445 32.238 1.00 74.59 ? 125 LEU c CD1 1 +ATOM 33275 C CD2 . LEU U 3 107 ? -15.674 32.615 34.504 1.00 60.31 ? 125 LEU c CD2 1 +ATOM 33276 N N . GLY U 3 108 ? -10.739 34.588 35.609 1.00 73.56 ? 126 GLY c N 1 +ATOM 33277 C CA . GLY U 3 108 ? -9.366 34.389 36.048 1.00 69.74 ? 126 GLY c CA 1 +ATOM 33278 C C . GLY U 3 108 ? -9.221 34.457 37.558 1.00 79.85 ? 126 GLY c C 1 +ATOM 33279 O O . GLY U 3 108 ? -8.435 33.711 38.149 1.00 74.94 ? 126 GLY c O 1 +ATOM 33280 N N . PHE U 3 109 ? -9.986 35.347 38.201 1.00 74.30 ? 127 PHE c N 1 +ATOM 33281 C CA . PHE U 3 109 ? -9.954 35.459 39.656 1.00 70.82 ? 127 PHE c CA 1 +ATOM 33282 C C . PHE U 3 109 ? -10.388 34.155 40.313 1.00 75.26 ? 127 PHE c C 1 +ATOM 33283 O O . PHE U 3 109 ? -9.637 33.554 41.091 1.00 75.66 ? 127 PHE c O 1 +ATOM 33284 C CB . PHE U 3 109 ? -10.842 36.621 40.110 1.00 86.72 ? 127 PHE c CB 1 +ATOM 33285 C CG . PHE U 3 109 ? -10.606 37.040 41.530 1.00 85.09 ? 127 PHE c CG 1 +ATOM 33286 C CD1 . PHE U 3 109 ? -11.253 36.399 42.575 1.00 86.03 ? 127 PHE c CD1 1 +ATOM 33287 C CD2 . PHE U 3 109 ? -9.724 38.072 41.818 1.00 102.39 ? 127 PHE c CD2 1 +ATOM 33288 C CE1 . PHE U 3 109 ? -11.022 36.780 43.890 1.00 107.57 ? 127 PHE c CE1 1 +ATOM 33289 C CE2 . PHE U 3 109 ? -9.492 38.465 43.132 1.00 113.97 ? 127 PHE c CE2 1 +ATOM 33290 C CZ . PHE U 3 109 ? -10.143 37.820 44.168 1.00 91.06 ? 127 PHE c CZ 1 +ATOM 33291 N N . GLY U 3 110 ? -11.606 33.700 40.009 1.00 67.67 ? 128 GLY c N 1 +ATOM 33292 C CA . GLY U 3 110 ? -12.070 32.439 40.570 1.00 73.39 ? 128 GLY c CA 1 +ATOM 33293 C C . GLY U 3 110 ? -11.168 31.273 40.214 1.00 85.46 ? 128 GLY c C 1 +ATOM 33294 O O . GLY U 3 110 ? -10.935 30.381 41.032 1.00 74.01 ? 128 GLY c O 1 +ATOM 33295 N N . GLY U 3 111 ? -10.633 31.274 38.991 1.00 77.98 ? 129 GLY c N 1 +ATOM 33296 C CA . GLY U 3 111 ? -9.734 30.211 38.588 1.00 69.39 ? 129 GLY c CA 1 +ATOM 33297 C C . GLY U 3 111 ? -8.472 30.178 39.427 1.00 67.44 ? 129 GLY c C 1 +ATOM 33298 O O . GLY U 3 111 ? -8.075 29.123 39.923 1.00 64.66 ? 129 GLY c O 1 +ATOM 33299 N N . VAL U 3 112 ? -7.825 31.335 39.596 1.00 66.98 ? 130 VAL c N 1 +ATOM 33300 C CA . VAL U 3 112 ? -6.632 31.391 40.435 1.00 81.02 ? 130 VAL c CA 1 +ATOM 33301 C C . VAL U 3 112 ? -6.982 31.065 41.884 1.00 91.86 ? 130 VAL c C 1 +ATOM 33302 O O . VAL U 3 112 ? -6.226 30.370 42.575 1.00 73.42 ? 130 VAL c O 1 +ATOM 33303 C CB . VAL U 3 112 ? -5.950 32.764 40.317 1.00 87.77 ? 130 VAL c CB 1 +ATOM 33304 C CG1 . VAL U 3 112 ? -4.811 32.882 41.349 1.00 74.44 ? 130 VAL c CG1 1 +ATOM 33305 C CG2 . VAL U 3 112 ? -5.419 32.977 38.905 1.00 74.01 ? 130 VAL c CG2 1 +ATOM 33306 N N . TYR U 3 113 ? -8.137 31.541 42.362 1.00 68.31 ? 131 TYR c N 1 +ATOM 33307 C CA . TYR U 3 113 ? -8.555 31.195 43.717 1.00 80.35 ? 131 TYR c CA 1 +ATOM 33308 C C . TYR U 3 113 ? -8.682 29.686 43.880 1.00 89.65 ? 131 TYR c C 1 +ATOM 33309 O O . TYR U 3 113 ? -8.085 29.095 44.792 1.00 71.50 ? 131 TYR c O 1 +ATOM 33310 C CB . TYR U 3 113 ? -9.879 31.869 44.080 1.00 78.82 ? 131 TYR c CB 1 +ATOM 33311 C CG . TYR U 3 113 ? -10.506 31.218 45.296 1.00 82.64 ? 131 TYR c CG 1 +ATOM 33312 C CD1 . TYR U 3 113 ? -9.976 31.424 46.569 1.00 89.89 ? 131 TYR c CD1 1 +ATOM 33313 C CD2 . TYR U 3 113 ? -11.601 30.368 45.172 1.00 82.64 ? 131 TYR c CD2 1 +ATOM 33314 C CE1 . TYR U 3 113 ? -10.525 30.811 47.689 1.00 86.01 ? 131 TYR c CE1 1 +ATOM 33315 C CE2 . TYR U 3 113 ? -12.163 29.749 46.290 1.00 82.56 ? 131 TYR c CE2 1 +ATOM 33316 C CZ . TYR U 3 113 ? -11.618 29.974 47.545 1.00 93.90 ? 131 TYR c CZ 1 +ATOM 33317 O OH . TYR U 3 113 ? -12.171 29.366 48.651 1.00 86.70 ? 131 TYR c OH 1 +ATOM 33318 N N . HIS U 3 114 ? -9.475 29.043 43.012 1.00 70.16 ? 132 HIS c N 1 +ATOM 33319 C CA . HIS U 3 114 ? -9.700 27.617 43.183 1.00 74.92 ? 132 HIS c CA 1 +ATOM 33320 C C . HIS U 3 114 ? -8.437 26.813 42.917 1.00 73.09 ? 132 HIS c C 1 +ATOM 33321 O O . HIS U 3 114 ? -8.300 25.703 43.435 1.00 73.82 ? 132 HIS c O 1 +ATOM 33322 C CB . HIS U 3 114 ? -10.830 27.142 42.280 1.00 67.27 ? 132 HIS c CB 1 +ATOM 33323 C CG . HIS U 3 114 ? -12.207 27.408 42.810 1.00 81.02 ? 132 HIS c CG 1 +ATOM 33324 N ND1 . HIS U 3 114 ? -12.781 26.648 43.809 1.00 75.17 ? 132 HIS c ND1 1 +ATOM 33325 C CD2 . HIS U 3 114 ? -13.146 28.314 42.441 1.00 73.17 ? 132 HIS c CD2 1 +ATOM 33326 C CE1 . HIS U 3 114 ? -14.010 27.080 44.037 1.00 84.21 ? 132 HIS c CE1 1 +ATOM 33327 N NE2 . HIS U 3 114 ? -14.258 28.089 43.218 1.00 78.86 ? 132 HIS c NE2 1 +ATOM 33328 N N . ALA U 3 115 ? -7.488 27.379 42.181 1.00 72.93 ? 133 ALA c N 1 +ATOM 33329 C CA . ALA U 3 115 ? -6.286 26.638 41.834 1.00 75.16 ? 133 ALA c CA 1 +ATOM 33330 C C . ALA U 3 115 ? -5.221 26.683 42.925 1.00 82.19 ? 133 ALA c C 1 +ATOM 33331 O O . ALA U 3 115 ? -4.507 25.694 43.110 1.00 77.68 ? 133 ALA c O 1 +ATOM 33332 C CB . ALA U 3 115 ? -5.700 27.160 40.519 1.00 64.66 ? 133 ALA c CB 1 +ATOM 33333 N N A ILE U 3 116 ? -5.077 27.802 43.654 0.50 83.68 ? 134 ILE c N 1 +ATOM 33334 N N B ILE U 3 116 ? -5.071 27.795 43.633 0.50 83.65 ? 134 ILE c N 1 +ATOM 33335 C CA A ILE U 3 116 ? -3.959 27.946 44.583 0.50 90.64 ? 134 ILE c CA 1 +ATOM 33336 C CA B ILE U 3 116 ? -3.989 27.952 44.590 0.50 90.64 ? 134 ILE c CA 1 +ATOM 33337 C C A ILE U 3 116 ? -4.363 28.448 45.964 0.50 84.70 ? 134 ILE c C 1 +ATOM 33338 C C B ILE U 3 116 ? -4.505 28.076 46.018 0.50 86.26 ? 134 ILE c C 1 +ATOM 33339 O O A ILE U 3 116 ? -3.498 28.580 46.830 0.50 89.79 ? 134 ILE c O 1 +ATOM 33340 O O B ILE U 3 116 ? -3.906 27.529 46.948 0.50 81.52 ? 134 ILE c O 1 +ATOM 33341 C CB A ILE U 3 116 ? -2.850 28.848 44.001 0.50 87.13 ? 134 ILE c CB 1 +ATOM 33342 C CB B ILE U 3 116 ? -3.104 29.154 44.204 0.50 85.03 ? 134 ILE c CB 1 +ATOM 33343 C CG1 A ILE U 3 116 ? -3.337 30.290 43.878 0.50 81.48 ? 134 ILE c CG1 1 +ATOM 33344 C CG1 B ILE U 3 116 ? -2.353 28.822 42.912 0.50 80.51 ? 134 ILE c CG1 1 +ATOM 33345 C CG2 A ILE U 3 116 ? -2.348 28.308 42.665 0.50 73.74 ? 134 ILE c CG2 1 +ATOM 33346 C CG2 B ILE U 3 116 ? -2.140 29.506 45.322 0.50 76.12 ? 134 ILE c CG2 1 +ATOM 33347 C CD1 A ILE U 3 116 ? -2.263 31.252 43.415 0.50 88.20 ? 134 ILE c CD1 1 +ATOM 33348 C CD1 B ILE U 3 116 ? -1.429 29.899 42.463 0.50 96.33 ? 134 ILE c CD1 1 +ATOM 33349 N N . ARG U 3 117 ? -5.639 28.739 46.204 1.00 84.39 ? 135 ARG c N 1 +ATOM 33350 C CA . ARG U 3 117 ? -6.095 29.115 47.534 1.00 73.79 ? 135 ARG c CA 1 +ATOM 33351 C C . ARG U 3 117 ? -7.175 28.200 48.092 1.00 78.40 ? 135 ARG c C 1 +ATOM 33352 O O . ARG U 3 117 ? -7.121 27.851 49.272 1.00 88.13 ? 135 ARG c O 1 +ATOM 33353 C CB . ARG U 3 117 ? -6.602 30.566 47.518 1.00 93.20 ? 135 ARG c CB 1 +ATOM 33354 C CG . ARG U 3 117 ? -6.797 31.169 48.894 1.00 105.07 ? 135 ARG c CG 1 +ATOM 33355 C CD . ARG U 3 117 ? -5.503 31.151 49.692 1.00 100.45 ? 135 ARG c CD 1 +ATOM 33356 N NE . ARG U 3 117 ? -5.756 30.950 51.114 1.00 113.48 ? 135 ARG c NE 1 +ATOM 33357 C CZ . ARG U 3 117 ? -4.905 31.264 52.082 1.00 134.35 ? 135 ARG c CZ 1 +ATOM 33358 N NH1 . ARG U 3 117 ? -3.725 31.810 51.820 1.00 116.48 ? 135 ARG c NH1 1 +ATOM 33359 N NH2 . ARG U 3 117 ? -5.249 31.033 53.347 1.00 135.36 ? 135 ARG c NH2 1 +ATOM 33360 N N . GLY U 3 118 ? -8.152 27.799 47.285 1.00 77.73 ? 136 GLY c N 1 +ATOM 33361 C CA . GLY U 3 118 ? -9.315 27.110 47.789 1.00 63.97 ? 136 GLY c CA 1 +ATOM 33362 C C . GLY U 3 118 ? -9.048 25.659 48.117 1.00 73.21 ? 136 GLY c C 1 +ATOM 33363 O O . GLY U 3 118 ? -7.919 25.156 48.033 1.00 78.13 ? 136 GLY c O 1 +ATOM 33364 N N . PRO U 3 119 ? -10.114 24.956 48.505 1.00 70.76 ? 137 PRO c N 1 +ATOM 33365 C CA . PRO U 3 119 ? -9.976 23.537 48.847 1.00 68.78 ? 137 PRO c CA 1 +ATOM 33366 C C . PRO U 3 119 ? -9.461 22.731 47.661 1.00 92.60 ? 137 PRO c C 1 +ATOM 33367 O O . PRO U 3 119 ? -9.950 22.861 46.533 1.00 78.95 ? 137 PRO c O 1 +ATOM 33368 C CB . PRO U 3 119 ? -11.398 23.123 49.241 1.00 74.45 ? 137 PRO c CB 1 +ATOM 33369 C CG . PRO U 3 119 ? -12.293 24.154 48.624 1.00 74.99 ? 137 PRO c CG 1 +ATOM 33370 C CD . PRO U 3 119 ? -11.507 25.423 48.606 1.00 78.06 ? 137 PRO c CD 1 +ATOM 33371 N N . GLU U 3 120 ? -8.463 21.890 47.940 1.00 72.18 ? 138 GLU c N 1 +ATOM 33372 C CA . GLU U 3 120 ? -7.819 21.084 46.915 1.00 73.52 ? 138 GLU c CA 1 +ATOM 33373 C C . GLU U 3 120 ? -8.745 19.996 46.386 1.00 74.85 ? 138 GLU c C 1 +ATOM 33374 O O . GLU U 3 120 ? -8.698 19.665 45.193 1.00 77.15 ? 138 GLU c O 1 +ATOM 33375 C CB . GLU U 3 120 ? -6.545 20.484 47.497 1.00 73.29 ? 138 GLU c CB 1 +ATOM 33376 C CG . GLU U 3 120 ? -5.615 19.841 46.522 1.00 83.71 ? 138 GLU c CG 1 +ATOM 33377 C CD . GLU U 3 120 ? -4.169 20.107 46.882 1.00 92.60 ? 138 GLU c CD 1 +ATOM 33378 O OE1 . GLU U 3 120 ? -3.771 21.298 46.895 1.00 79.43 ? 138 GLU c OE1 1 +ATOM 33379 O OE2 . GLU U 3 120 ? -3.440 19.129 47.161 1.00 92.85 ? 138 GLU c OE2 1 +ATOM 33380 N N . THR U 3 121 ? -9.577 19.423 47.248 1.00 80.13 ? 139 THR c N 1 +ATOM 33381 C CA . THR U 3 121 ? -10.651 18.522 46.854 1.00 75.49 ? 139 THR c CA 1 +ATOM 33382 C C . THR U 3 121 ? -11.977 19.116 47.312 1.00 83.53 ? 139 THR c C 1 +ATOM 33383 O O . THR U 3 121 ? -12.021 19.973 48.197 1.00 97.99 ? 139 THR c O 1 +ATOM 33384 C CB . THR U 3 121 ? -10.474 17.117 47.453 1.00 83.14 ? 139 THR c CB 1 +ATOM 33385 O OG1 . THR U 3 121 ? -10.402 17.214 48.882 1.00 94.12 ? 139 THR c OG1 1 +ATOM 33386 C CG2 . THR U 3 121 ? -9.204 16.451 46.931 1.00 66.18 ? 139 THR c CG2 1 +ATOM 33387 N N . LEU U 3 122 ? -13.066 18.666 46.698 1.00 78.59 ? 140 LEU c N 1 +ATOM 33388 C CA . LEU U 3 122 ? -14.384 19.203 47.003 1.00 79.69 ? 140 LEU c CA 1 +ATOM 33389 C C . LEU U 3 122 ? -15.280 18.211 47.720 1.00 84.67 ? 140 LEU c C 1 +ATOM 33390 O O . LEU U 3 122 ? -16.330 18.612 48.233 1.00 79.98 ? 140 LEU c O 1 +ATOM 33391 C CB . LEU U 3 122 ? -15.099 19.656 45.718 1.00 73.21 ? 140 LEU c CB 1 +ATOM 33392 C CG . LEU U 3 122 ? -14.395 20.681 44.830 1.00 80.34 ? 140 LEU c CG 1 +ATOM 33393 C CD1 . LEU U 3 122 ? -15.245 21.006 43.604 1.00 67.32 ? 140 LEU c CD1 1 +ATOM 33394 C CD2 . LEU U 3 122 ? -14.095 21.920 45.635 1.00 72.41 ? 140 LEU c CD2 1 +ATOM 33395 N N . GLU U 3 123 ? -14.906 16.934 47.750 1.00 68.76 ? 141 GLU c N 1 +ATOM 33396 C CA . GLU U 3 123 ? -15.814 15.904 48.236 1.00 88.08 ? 141 GLU c CA 1 +ATOM 33397 C C . GLU U 3 123 ? -16.079 16.042 49.735 1.00 106.41 ? 141 GLU c C 1 +ATOM 33398 O O . GLU U 3 123 ? -17.164 15.679 50.207 1.00 83.80 ? 141 GLU c O 1 +ATOM 33399 C CB . GLU U 3 123 ? -15.251 14.517 47.902 1.00 77.64 ? 141 GLU c CB 1 +ATOM 33400 C CG . GLU U 3 123 ? -15.242 14.176 46.399 1.00 70.53 ? 141 GLU c CG 1 +ATOM 33401 C CD . GLU U 3 123 ? -14.419 15.155 45.574 1.00 80.40 ? 141 GLU c CD 1 +ATOM 33402 O OE1 . GLU U 3 123 ? -13.248 15.404 45.949 1.00 81.31 ? 141 GLU c OE1 1 +ATOM 33403 O OE2 . GLU U 3 123 ? -14.955 15.703 44.580 1.00 76.92 ? 141 GLU c OE2 1 +ATOM 33404 N N . GLU U 3 124 ? -15.120 16.565 50.499 1.00 87.29 ? 142 GLU c N 1 +ATOM 33405 C CA . GLU U 3 124 ? -15.419 16.816 51.904 1.00 110.64 ? 142 GLU c CA 1 +ATOM 33406 C C . GLU U 3 124 ? -16.210 18.103 52.075 1.00 107.77 ? 142 GLU c C 1 +ATOM 33407 O O . GLU U 3 124 ? -17.101 18.174 52.929 1.00 112.43 ? 142 GLU c O 1 +ATOM 33408 C CB . GLU U 3 124 ? -14.139 16.872 52.737 1.00 104.75 ? 142 GLU c CB 1 +ATOM 33409 C CG . GLU U 3 124 ? -12.897 17.199 51.944 1.00 129.65 ? 142 GLU c CG 1 +ATOM 33410 C CD . GLU U 3 124 ? -12.208 15.947 51.456 1.00 132.74 ? 142 GLU c CD 1 +ATOM 33411 O OE1 . GLU U 3 124 ? -12.213 14.946 52.206 1.00 139.44 ? 142 GLU c OE1 1 +ATOM 33412 O OE2 . GLU U 3 124 ? -11.681 15.957 50.324 1.00 126.87 ? 142 GLU c OE2 1 +ATOM 33413 N N . TYR U 3 125 ? -15.914 19.121 51.262 1.00 81.20 ? 143 TYR c N 1 +ATOM 33414 C CA . TYR U 3 125 ? -16.548 20.415 51.465 1.00 79.00 ? 143 TYR c CA 1 +ATOM 33415 C C . TYR U 3 125 ? -18.019 20.403 51.077 1.00 91.48 ? 143 TYR c C 1 +ATOM 33416 O O . TYR U 3 125 ? -18.820 21.119 51.691 1.00 104.75 ? 143 TYR c O 1 +ATOM 33417 C CB . TYR U 3 125 ? -15.808 21.493 50.692 1.00 82.29 ? 143 TYR c CB 1 +ATOM 33418 C CG . TYR U 3 125 ? -16.610 22.762 50.539 1.00 113.69 ? 143 TYR c CG 1 +ATOM 33419 C CD1 . TYR U 3 125 ? -16.712 23.671 51.584 1.00 98.54 ? 143 TYR c CD1 1 +ATOM 33420 C CD2 . TYR U 3 125 ? -17.279 23.049 49.349 1.00 95.52 ? 143 TYR c CD2 1 +ATOM 33421 C CE1 . TYR U 3 125 ? -17.450 24.837 51.446 1.00 131.32 ? 143 TYR c CE1 1 +ATOM 33422 C CE2 . TYR U 3 125 ? -18.016 24.210 49.204 1.00 103.94 ? 143 TYR c CE2 1 +ATOM 33423 C CZ . TYR U 3 125 ? -18.097 25.103 50.251 1.00 118.11 ? 143 TYR c CZ 1 +ATOM 33424 O OH . TYR U 3 125 ? -18.834 26.259 50.107 1.00 107.00 ? 143 TYR c OH 1 +ATOM 33425 N N . SER U 3 126 ? -18.399 19.618 50.072 1.00 84.98 ? 144 SER c N 1 +ATOM 33426 C CA . SER U 3 126 ? -19.790 19.587 49.634 1.00 78.93 ? 144 SER c CA 1 +ATOM 33427 C C . SER U 3 126 ? -20.051 18.312 48.857 1.00 91.54 ? 144 SER c C 1 +ATOM 33428 O O . SER U 3 126 ? -19.296 17.978 47.938 1.00 101.10 ? 144 SER c O 1 +ATOM 33429 C CB . SER U 3 126 ? -20.130 20.790 48.758 1.00 84.10 ? 144 SER c CB 1 +ATOM 33430 O OG . SER U 3 126 ? -21.410 20.613 48.178 1.00 94.38 ? 144 SER c OG 1 +ATOM 33431 N N . SER U 3 127 ? -21.125 17.613 49.219 1.00 90.60 ? 145 SER c N 1 +ATOM 33432 C CA . SER U 3 127 ? -21.573 16.493 48.408 1.00 92.13 ? 145 SER c CA 1 +ATOM 33433 C C . SER U 3 127 ? -22.096 16.949 47.053 1.00 105.49 ? 145 SER c C 1 +ATOM 33434 O O . SER U 3 127 ? -22.192 16.127 46.132 1.00 91.57 ? 145 SER c O 1 +ATOM 33435 C CB . SER U 3 127 ? -22.664 15.714 49.136 1.00 95.66 ? 145 SER c CB 1 +ATOM 33436 O OG . SER U 3 127 ? -23.894 16.417 49.068 1.00 128.78 ? 145 SER c OG 1 +ATOM 33437 N N . PHE U 3 128 ? -22.444 18.233 46.915 1.00 82.89 ? 146 PHE c N 1 +ATOM 33438 C CA . PHE U 3 128 ? -22.985 18.730 45.655 1.00 99.14 ? 146 PHE c CA 1 +ATOM 33439 C C . PHE U 3 128 ? -21.885 18.905 44.611 1.00 78.02 ? 146 PHE c C 1 +ATOM 33440 O O . PHE U 3 128 ? -21.862 18.208 43.594 1.00 82.33 ? 146 PHE c O 1 +ATOM 33441 C CB . PHE U 3 128 ? -23.734 20.047 45.881 1.00 86.14 ? 146 PHE c CB 1 +ATOM 33442 C CG . PHE U 3 128 ? -24.330 20.622 44.629 1.00 97.98 ? 146 PHE c CG 1 +ATOM 33443 C CD1 . PHE U 3 128 ? -25.481 20.074 44.080 1.00 91.57 ? 146 PHE c CD1 1 +ATOM 33444 C CD2 . PHE U 3 128 ? -23.733 21.702 43.993 1.00 94.42 ? 146 PHE c CD2 1 +ATOM 33445 C CE1 . PHE U 3 128 ? -26.029 20.589 42.924 1.00 92.92 ? 146 PHE c CE1 1 +ATOM 33446 C CE2 . PHE U 3 128 ? -24.276 22.229 42.830 1.00 91.36 ? 146 PHE c CE2 1 +ATOM 33447 C CZ . PHE U 3 128 ? -25.426 21.673 42.296 1.00 87.72 ? 146 PHE c CZ 1 +ATOM 33448 N N . PHE U 3 129 ? -20.948 19.816 44.866 1.00 72.33 ? 147 PHE c N 1 +ATOM 33449 C CA . PHE U 3 129 ? -19.877 20.101 43.925 1.00 68.62 ? 147 PHE c CA 1 +ATOM 33450 C C . PHE U 3 129 ? -18.824 19.003 43.876 1.00 89.29 ? 147 PHE c C 1 +ATOM 33451 O O . PHE U 3 129 ? -18.072 18.934 42.898 1.00 77.96 ? 147 PHE c O 1 +ATOM 33452 C CB . PHE U 3 129 ? -19.223 21.432 44.278 1.00 69.96 ? 147 PHE c CB 1 +ATOM 33453 C CG . PHE U 3 129 ? -20.153 22.602 44.177 1.00 77.31 ? 147 PHE c CG 1 +ATOM 33454 C CD1 . PHE U 3 129 ? -20.418 23.188 42.948 1.00 93.57 ? 147 PHE c CD1 1 +ATOM 33455 C CD2 . PHE U 3 129 ? -20.765 23.123 45.307 1.00 84.50 ? 147 PHE c CD2 1 +ATOM 33456 C CE1 . PHE U 3 129 ? -21.273 24.272 42.843 1.00 84.41 ? 147 PHE c CE1 1 +ATOM 33457 C CE2 . PHE U 3 129 ? -21.625 24.207 45.210 1.00 86.48 ? 147 PHE c CE2 1 +ATOM 33458 C CZ . PHE U 3 129 ? -21.878 24.781 43.977 1.00 102.44 ? 147 PHE c CZ 1 +ATOM 33459 N N . GLY U 3 130 ? -18.735 18.153 44.906 1.00 74.69 ? 148 GLY c N 1 +ATOM 33460 C CA . GLY U 3 130 ? -17.837 17.027 44.847 1.00 65.57 ? 148 GLY c CA 1 +ATOM 33461 C C . GLY U 3 130 ? -18.375 15.920 43.961 1.00 72.59 ? 148 GLY c C 1 +ATOM 33462 O O . GLY U 3 130 ? -19.581 15.806 43.752 1.00 78.21 ? 148 GLY c O 1 +ATOM 33463 N N . TYR U 3 131 ? -17.456 15.100 43.443 1.00 69.77 ? 149 TYR c N 1 +ATOM 33464 C CA . TYR U 3 131 ? -17.793 14.026 42.512 1.00 75.77 ? 149 TYR c CA 1 +ATOM 33465 C C . TYR U 3 131 ? -16.688 12.985 42.533 1.00 69.79 ? 149 TYR c C 1 +ATOM 33466 O O . TYR U 3 131 ? -15.527 13.291 42.825 1.00 71.43 ? 149 TYR c O 1 +ATOM 33467 C CB . TYR U 3 131 ? -17.983 14.534 41.063 1.00 77.15 ? 149 TYR c CB 1 +ATOM 33468 C CG . TYR U 3 131 ? -16.755 15.232 40.474 1.00 67.02 ? 149 TYR c CG 1 +ATOM 33469 C CD1 . TYR U 3 131 ? -15.772 14.518 39.775 1.00 62.94 ? 149 TYR c CD1 1 +ATOM 33470 C CD2 . TYR U 3 131 ? -16.580 16.608 40.617 1.00 69.28 ? 149 TYR c CD2 1 +ATOM 33471 C CE1 . TYR U 3 131 ? -14.634 15.171 39.240 1.00 58.54 ? 149 TYR c CE1 1 +ATOM 33472 C CE2 . TYR U 3 131 ? -15.465 17.260 40.095 1.00 74.75 ? 149 TYR c CE2 1 +ATOM 33473 C CZ . TYR U 3 131 ? -14.492 16.542 39.410 1.00 66.94 ? 149 TYR c CZ 1 +ATOM 33474 O OH . TYR U 3 131 ? -13.392 17.225 38.908 1.00 68.11 ? 149 TYR c OH 1 +ATOM 33475 N N . ASP U 3 132 ? -17.069 11.759 42.204 1.00 64.08 ? 150 ASP c N 1 +ATOM 33476 C CA . ASP U 3 132 ? -16.152 10.676 41.886 1.00 71.41 ? 150 ASP c CA 1 +ATOM 33477 C C . ASP U 3 132 ? -16.375 10.298 40.425 1.00 86.65 ? 150 ASP c C 1 +ATOM 33478 O O . ASP U 3 132 ? -17.517 10.025 40.024 1.00 68.73 ? 150 ASP c O 1 +ATOM 33479 C CB . ASP U 3 132 ? -16.408 9.468 42.791 1.00 70.01 ? 150 ASP c CB 1 +ATOM 33480 C CG . ASP U 3 132 ? -15.470 8.313 42.509 1.00 87.75 ? 150 ASP c CG 1 +ATOM 33481 O OD1 . ASP U 3 132 ? -14.532 8.476 41.698 1.00 98.77 ? 150 ASP c OD1 1 +ATOM 33482 O OD2 . ASP U 3 132 ? -15.667 7.236 43.113 1.00 108.34 ? 150 ASP c OD2 1 +ATOM 33483 N N . TRP U 3 133 ? -15.292 10.279 39.634 1.00 74.29 ? 151 TRP c N 1 +ATOM 33484 C CA . TRP U 3 133 ? -15.408 9.907 38.222 1.00 86.62 ? 151 TRP c CA 1 +ATOM 33485 C C . TRP U 3 133 ? -16.217 8.623 38.034 1.00 84.76 ? 151 TRP c C 1 +ATOM 33486 O O . TRP U 3 133 ? -16.961 8.501 37.054 1.00 67.08 ? 151 TRP c O 1 +ATOM 33487 C CB . TRP U 3 133 ? -14.026 9.734 37.586 1.00 57.41 ? 151 TRP c CB 1 +ATOM 33488 C CG . TRP U 3 133 ? -13.125 10.946 37.583 1.00 64.15 ? 151 TRP c CG 1 +ATOM 33489 C CD1 . TRP U 3 133 ? -11.945 11.092 38.261 1.00 65.71 ? 151 TRP c CD1 1 +ATOM 33490 C CD2 . TRP U 3 133 ? -13.303 12.153 36.828 1.00 55.31 ? 151 TRP c CD2 1 +ATOM 33491 N NE1 . TRP U 3 133 ? -11.381 12.313 37.979 1.00 65.03 ? 151 TRP c NE1 1 +ATOM 33492 C CE2 . TRP U 3 133 ? -12.194 12.988 37.105 1.00 65.36 ? 151 TRP c CE2 1 +ATOM 33493 C CE3 . TRP U 3 133 ? -14.286 12.607 35.942 1.00 64.12 ? 151 TRP c CE3 1 +ATOM 33494 C CZ2 . TRP U 3 133 ? -12.046 14.260 36.532 1.00 62.71 ? 151 TRP c CZ2 1 +ATOM 33495 C CZ3 . TRP U 3 133 ? -14.139 13.875 35.369 1.00 61.01 ? 151 TRP c CZ3 1 +ATOM 33496 C CH2 . TRP U 3 133 ? -13.023 14.685 35.671 1.00 69.47 ? 151 TRP c CH2 1 +ATOM 33497 N N . LYS U 3 134 ? -16.120 7.668 38.973 1.00 67.23 ? 152 LYS c N 1 +ATOM 33498 C CA . LYS U 3 134 ? -16.851 6.411 38.827 1.00 71.09 ? 152 LYS c CA 1 +ATOM 33499 C C . LYS U 3 134 ? -18.339 6.520 39.146 1.00 71.13 ? 152 LYS c C 1 +ATOM 33500 O O . LYS U 3 134 ? -19.070 5.555 38.908 1.00 70.64 ? 152 LYS c O 1 +ATOM 33501 C CB . LYS U 3 134 ? -16.241 5.322 39.710 1.00 69.48 ? 152 LYS c CB 1 +ATOM 33502 C CG . LYS U 3 134 ? -15.005 4.679 39.114 1.00 92.13 ? 152 LYS c CG 1 +ATOM 33503 C CD . LYS U 3 134 ? -13.762 5.506 39.399 1.00 100.39 ? 152 LYS c CD 1 +ATOM 33504 C CE . LYS U 3 134 ? -12.834 4.773 40.364 1.00 137.58 ? 152 LYS c CE 1 +ATOM 33505 N NZ . LYS U 3 134 ? -12.275 3.518 39.767 1.00 133.79 ? 152 LYS c NZ 1 +ATOM 33506 N N . ASP U 3 135 ? -18.807 7.652 39.663 1.00 59.17 ? 153 ASP c N 1 +ATOM 33507 C CA . ASP U 3 135 ? -20.212 7.809 40.033 1.00 70.57 ? 153 ASP c CA 1 +ATOM 33508 C C . ASP U 3 135 ? -21.017 8.157 38.782 1.00 61.09 ? 153 ASP c C 1 +ATOM 33509 O O . ASP U 3 135 ? -21.083 9.323 38.373 1.00 67.62 ? 153 ASP c O 1 +ATOM 33510 C CB . ASP U 3 135 ? -20.349 8.881 41.111 1.00 72.55 ? 153 ASP c CB 1 +ATOM 33511 C CG . ASP U 3 135 ? -21.768 8.993 41.675 1.00 81.10 ? 153 ASP c CG 1 +ATOM 33512 O OD1 . ASP U 3 135 ? -22.731 8.506 41.033 1.00 69.67 ? 153 ASP c OD1 1 +ATOM 33513 O OD2 . ASP U 3 135 ? -21.911 9.597 42.771 1.00 74.10 ? 153 ASP c OD2 1 +ATOM 33514 N N . LYS U 3 136 ? -21.673 7.148 38.203 1.00 59.01 ? 154 LYS c N 1 +ATOM 33515 C CA . LYS U 3 136 ? -22.357 7.317 36.925 1.00 58.88 ? 154 LYS c CA 1 +ATOM 33516 C C . LYS U 3 136 ? -23.572 8.222 37.048 1.00 83.27 ? 154 LYS c C 1 +ATOM 33517 O O . LYS U 3 136 ? -23.920 8.928 36.089 1.00 74.77 ? 154 LYS c O 1 +ATOM 33518 C CB . LYS U 3 136 ? -22.769 5.958 36.358 1.00 64.17 ? 154 LYS c CB 1 +ATOM 33519 C CG . LYS U 3 136 ? -21.611 4.969 36.152 1.00 70.19 ? 154 LYS c CG 1 +ATOM 33520 C CD . LYS U 3 136 ? -22.066 3.709 35.415 1.00 69.25 ? 154 LYS c CD 1 +ATOM 33521 C CE . LYS U 3 136 ? -21.026 2.601 35.481 1.00 75.36 ? 154 LYS c CE 1 +ATOM 33522 N NZ . LYS U 3 136 ? -20.486 2.384 36.845 1.00 76.66 ? 154 LYS c NZ 1 +ATOM 33523 N N . ASN U 3 137 ? -24.228 8.229 38.210 1.00 71.79 ? 155 ASN c N 1 +ATOM 33524 C CA . ASN U 3 137 ? -25.347 9.147 38.405 1.00 73.57 ? 155 ASN c CA 1 +ATOM 33525 C C . ASN U 3 137 ? -24.859 10.587 38.500 1.00 71.45 ? 155 ASN c C 1 +ATOM 33526 O O . ASN U 3 137 ? -25.390 11.483 37.830 1.00 70.88 ? 155 ASN c O 1 +ATOM 33527 C CB . ASN U 3 137 ? -26.135 8.760 39.656 1.00 84.77 ? 155 ASN c CB 1 +ATOM 33528 C CG . ASN U 3 137 ? -27.411 9.576 39.818 1.00 85.13 ? 155 ASN c CG 1 +ATOM 33529 O OD1 . ASN U 3 137 ? -28.488 9.150 39.407 1.00 107.69 ? 155 ASN c OD1 1 +ATOM 33530 N ND2 . ASN U 3 137 ? -27.292 10.757 40.414 1.00 106.57 ? 155 ASN c ND2 1 +ATOM 33531 N N . LYS U 3 138 ? -23.847 10.830 39.337 1.00 67.21 ? 156 LYS c N 1 +ATOM 33532 C CA . LYS U 3 138 ? -23.316 12.183 39.470 1.00 69.19 ? 156 LYS c CA 1 +ATOM 33533 C C . LYS U 3 138 ? -22.762 12.692 38.146 1.00 71.16 ? 156 LYS c C 1 +ATOM 33534 O O . LYS U 3 138 ? -22.883 13.883 37.832 1.00 66.94 ? 156 LYS c O 1 +ATOM 33535 C CB . LYS U 3 138 ? -22.227 12.221 40.542 1.00 64.15 ? 156 LYS c CB 1 +ATOM 33536 C CG . LYS U 3 138 ? -21.616 13.598 40.757 1.00 66.65 ? 156 LYS c CG 1 +ATOM 33537 C CD . LYS U 3 138 ? -22.707 14.624 41.036 1.00 81.08 ? 156 LYS c CD 1 +ATOM 33538 C CE . LYS U 3 138 ? -22.247 15.683 42.020 1.00 92.32 ? 156 LYS c CE 1 +ATOM 33539 N NZ . LYS U 3 138 ? -22.022 15.118 43.392 1.00 86.56 ? 156 LYS c NZ 1 +ATOM 33540 N N . MET U 3 139 ? -22.132 11.810 37.362 1.00 70.24 ? 157 MET c N 1 +ATOM 33541 C CA . MET U 3 139 ? -21.552 12.262 36.106 1.00 66.33 ? 157 MET c CA 1 +ATOM 33542 C C . MET U 3 139 ? -22.641 12.664 35.122 1.00 75.73 ? 157 MET c C 1 +ATOM 33543 O O . MET U 3 139 ? -22.571 13.747 34.522 1.00 65.78 ? 157 MET c O 1 +ATOM 33544 C CB . MET U 3 139 ? -20.639 11.191 35.521 1.00 66.83 ? 157 MET c CB 1 +ATOM 33545 C CG . MET U 3 139 ? -19.303 11.012 36.256 1.00 62.22 ? 157 MET c CG 1 +ATOM 33546 S SD . MET U 3 139 ? -18.278 12.491 36.293 1.00 80.73 ? 157 MET c SD 1 +ATOM 33547 C CE . MET U 3 139 ? -18.720 13.186 37.867 1.00 63.11 ? 157 MET c CE 1 +ATOM 33548 N N . THR U 3 140 ? -23.682 11.828 34.976 1.00 62.95 ? 158 THR c N 1 +ATOM 33549 C CA . THR U 3 140 ? -24.783 12.189 34.088 1.00 66.04 ? 158 THR c CA 1 +ATOM 33550 C C . THR U 3 140 ? -25.546 13.398 34.596 1.00 72.42 ? 158 THR c C 1 +ATOM 33551 O O . THR U 3 140 ? -26.208 14.079 33.808 1.00 79.39 ? 158 THR c O 1 +ATOM 33552 C CB . THR U 3 140 ? -25.750 11.020 33.893 1.00 69.95 ? 158 THR c CB 1 +ATOM 33553 O OG1 . THR U 3 140 ? -26.109 10.480 35.158 1.00 80.76 ? 158 THR c OG1 1 +ATOM 33554 C CG2 . THR U 3 140 ? -25.112 9.906 33.044 1.00 66.66 ? 158 THR c CG2 1 +ATOM 33555 N N . THR U 3 141 ? -25.439 13.700 35.883 1.00 78.21 ? 159 THR c N 1 +ATOM 33556 C CA . THR U 3 141 ? -26.133 14.857 36.429 1.00 79.99 ? 159 THR c CA 1 +ATOM 33557 C C . THR U 3 141 ? -25.400 16.154 36.100 1.00 68.40 ? 159 THR c C 1 +ATOM 33558 O O . THR U 3 141 ? -26.031 17.149 35.724 1.00 67.53 ? 159 THR c O 1 +ATOM 33559 C CB . THR U 3 141 ? -26.304 14.657 37.938 1.00 80.15 ? 159 THR c CB 1 +ATOM 33560 O OG1 . THR U 3 141 ? -27.303 13.642 38.154 1.00 72.18 ? 159 THR c OG1 1 +ATOM 33561 C CG2 . THR U 3 141 ? -26.691 15.931 38.620 1.00 51.28 ? 159 THR c CG2 1 +ATOM 33562 N N . ILE U 3 142 ? -24.071 16.162 36.232 1.00 61.21 ? 160 ILE c N 1 +ATOM 33563 C CA . ILE U 3 142 ? -23.292 17.305 35.766 1.00 72.74 ? 160 ILE c CA 1 +ATOM 33564 C C . ILE U 3 142 ? -23.466 17.481 34.257 1.00 80.72 ? 160 ILE c C 1 +ATOM 33565 O O . ILE U 3 142 ? -23.609 18.605 33.758 1.00 65.59 ? 160 ILE c O 1 +ATOM 33566 C CB . ILE U 3 142 ? -21.811 17.135 36.147 1.00 62.72 ? 160 ILE c CB 1 +ATOM 33567 C CG1 . ILE U 3 142 ? -21.631 17.140 37.664 1.00 69.97 ? 160 ILE c CG1 1 +ATOM 33568 C CG2 . ILE U 3 142 ? -20.984 18.239 35.554 1.00 73.24 ? 160 ILE c CG2 1 +ATOM 33569 C CD1 . ILE U 3 142 ? -20.203 16.892 38.081 1.00 68.58 ? 160 ILE c CD1 1 +ATOM 33570 N N . LEU U 3 143 ? -23.468 16.366 33.516 1.00 69.73 ? 161 LEU c N 1 +ATOM 33571 C CA . LEU U 3 143 ? -23.728 16.407 32.079 1.00 76.95 ? 161 LEU c CA 1 +ATOM 33572 C C . LEU U 3 143 ? -25.082 17.042 31.784 1.00 79.88 ? 161 LEU c C 1 +ATOM 33573 O O . LEU U 3 143 ? -25.208 17.852 30.852 1.00 71.72 ? 161 LEU c O 1 +ATOM 33574 C CB . LEU U 3 143 ? -23.652 14.988 31.501 1.00 66.54 ? 161 LEU c CB 1 +ATOM 33575 C CG . LEU U 3 143 ? -24.080 14.759 30.051 1.00 65.68 ? 161 LEU c CG 1 +ATOM 33576 C CD1 . LEU U 3 143 ? -23.101 15.420 29.097 1.00 64.18 ? 161 LEU c CD1 1 +ATOM 33577 C CD2 . LEU U 3 143 ? -24.206 13.281 29.761 1.00 53.32 ? 161 LEU c CD2 1 +ATOM 33578 N N . GLY U 3 144 ? -26.101 16.701 32.585 1.00 66.87 ? 162 GLY c N 1 +ATOM 33579 C CA . GLY U 3 144 ? -27.423 17.288 32.400 1.00 70.54 ? 162 GLY c CA 1 +ATOM 33580 C C . GLY U 3 144 ? -27.459 18.792 32.633 1.00 73.20 ? 162 GLY c C 1 +ATOM 33581 O O . GLY U 3 144 ? -28.098 19.528 31.873 1.00 70.62 ? 162 GLY c O 1 +ATOM 33582 N N . PHE U 3 145 ? -26.788 19.271 33.692 1.00 76.18 ? 163 PHE c N 1 +ATOM 33583 C CA . PHE U 3 145 ? -26.737 20.715 33.939 1.00 80.72 ? 163 PHE c CA 1 +ATOM 33584 C C . PHE U 3 145 ? -26.185 21.449 32.730 1.00 68.73 ? 163 PHE c C 1 +ATOM 33585 O O . PHE U 3 145 ? -26.718 22.489 32.319 1.00 71.12 ? 163 PHE c O 1 +ATOM 33586 C CB . PHE U 3 145 ? -25.868 21.040 35.165 1.00 74.05 ? 163 PHE c CB 1 +ATOM 33587 C CG . PHE U 3 145 ? -26.455 20.605 36.484 1.00 80.29 ? 163 PHE c CG 1 +ATOM 33588 C CD1 . PHE U 3 145 ? -27.822 20.586 36.691 1.00 79.26 ? 163 PHE c CD1 1 +ATOM 33589 C CD2 . PHE U 3 145 ? -25.622 20.220 37.523 1.00 89.92 ? 163 PHE c CD2 1 +ATOM 33590 C CE1 . PHE U 3 145 ? -28.348 20.184 37.914 1.00 85.68 ? 163 PHE c CE1 1 +ATOM 33591 C CE2 . PHE U 3 145 ? -26.140 19.810 38.743 1.00 88.62 ? 163 PHE c CE2 1 +ATOM 33592 C CZ . PHE U 3 145 ? -27.505 19.794 38.937 1.00 72.23 ? 163 PHE c CZ 1 +ATOM 33593 N N . HIS U 3 146 ? -25.107 20.920 32.154 1.00 74.91 ? 164 HIS c N 1 +ATOM 33594 C CA . HIS U 3 146 ? -24.410 21.612 31.079 1.00 81.93 ? 164 HIS c CA 1 +ATOM 33595 C C . HIS U 3 146 ? -25.191 21.545 29.772 1.00 62.65 ? 164 HIS c C 1 +ATOM 33596 O O . HIS U 3 146 ? -25.212 22.517 29.004 1.00 68.59 ? 164 HIS c O 1 +ATOM 33597 C CB . HIS U 3 146 ? -23.004 21.030 30.948 1.00 75.11 ? 164 HIS c CB 1 +ATOM 33598 C CG . HIS U 3 146 ? -22.110 21.380 32.100 1.00 82.33 ? 164 HIS c CG 1 +ATOM 33599 N ND1 . HIS U 3 146 ? -20.930 20.719 32.367 1.00 65.24 ? 164 HIS c ND1 1 +ATOM 33600 C CD2 . HIS U 3 146 ? -22.225 22.338 33.052 1.00 81.03 ? 164 HIS c CD2 1 +ATOM 33601 C CE1 . HIS U 3 146 ? -20.353 21.259 33.424 1.00 67.36 ? 164 HIS c CE1 1 +ATOM 33602 N NE2 . HIS U 3 146 ? -21.119 22.242 33.862 1.00 66.79 ? 164 HIS c NE2 1 +ATOM 33603 N N . LEU U 3 147 ? -25.853 20.419 29.513 1.00 71.85 ? 165 LEU c N 1 +ATOM 33604 C CA . LEU U 3 147 ? -26.803 20.359 28.412 1.00 64.39 ? 165 LEU c CA 1 +ATOM 33605 C C . LEU U 3 147 ? -27.795 21.510 28.488 1.00 78.91 ? 165 LEU c C 1 +ATOM 33606 O O . LEU U 3 147 ? -28.017 22.221 27.502 1.00 69.41 ? 165 LEU c O 1 +ATOM 33607 C CB . LEU U 3 147 ? -27.529 19.013 28.426 1.00 72.28 ? 165 LEU c CB 1 +ATOM 33608 C CG . LEU U 3 147 ? -26.758 17.822 27.850 1.00 71.23 ? 165 LEU c CG 1 +ATOM 33609 C CD1 . LEU U 3 147 ? -27.559 16.535 27.966 1.00 65.09 ? 165 LEU c CD1 1 +ATOM 33610 C CD2 . LEU U 3 147 ? -26.382 18.105 26.387 1.00 71.47 ? 165 LEU c CD2 1 +ATOM 33611 N N . ILE U 3 148 ? -28.373 21.727 29.674 1.00 78.32 ? 166 ILE c N 1 +ATOM 33612 C CA . ILE U 3 148 ? -29.358 22.789 29.859 1.00 60.08 ? 166 ILE c CA 1 +ATOM 33613 C C . ILE U 3 148 ? -28.752 24.141 29.512 1.00 61.91 ? 166 ILE c C 1 +ATOM 33614 O O . ILE U 3 148 ? -29.376 24.969 28.839 1.00 66.08 ? 166 ILE c O 1 +ATOM 33615 C CB . ILE U 3 148 ? -29.899 22.763 31.299 1.00 76.43 ? 166 ILE c CB 1 +ATOM 33616 C CG1 . ILE U 3 148 ? -30.791 21.538 31.507 1.00 81.26 ? 166 ILE c CG1 1 +ATOM 33617 C CG2 . ILE U 3 148 ? -30.641 24.074 31.638 1.00 61.65 ? 166 ILE c CG2 1 +ATOM 33618 C CD1 . ILE U 3 148 ? -31.048 21.211 32.970 1.00 83.36 ? 166 ILE c CD1 1 +ATOM 33619 N N . VAL U 3 149 ? -27.532 24.395 29.986 1.00 69.87 ? 167 VAL c N 1 +ATOM 33620 C CA . VAL U 3 149 ? -26.857 25.652 29.664 1.00 73.32 ? 167 VAL c CA 1 +ATOM 33621 C C . VAL U 3 149 ? -26.669 25.791 28.151 1.00 82.83 ? 167 VAL c C 1 +ATOM 33622 O O . VAL U 3 149 ? -26.802 26.889 27.593 1.00 72.66 ? 167 VAL c O 1 +ATOM 33623 C CB . VAL U 3 149 ? -25.518 25.735 30.417 1.00 69.79 ? 167 VAL c CB 1 +ATOM 33624 C CG1 . VAL U 3 149 ? -24.761 26.997 30.035 1.00 78.92 ? 167 VAL c CG1 1 +ATOM 33625 C CG2 . VAL U 3 149 ? -25.763 25.713 31.924 1.00 94.99 ? 167 VAL c CG2 1 +ATOM 33626 N N . LEU U 3 150 ? -26.365 24.679 27.460 1.00 69.85 ? 168 LEU c N 1 +ATOM 33627 C CA . LEU U 3 150 ? -26.181 24.740 26.010 1.00 69.04 ? 168 LEU c CA 1 +ATOM 33628 C C . LEU U 3 150 ? -27.493 25.048 25.298 1.00 62.76 ? 168 LEU c C 1 +ATOM 33629 O O . LEU U 3 150 ? -27.523 25.869 24.371 1.00 69.30 ? 168 LEU c O 1 +ATOM 33630 C CB . LEU U 3 150 ? -25.572 23.427 25.504 1.00 64.84 ? 168 LEU c CB 1 +ATOM 33631 C CG . LEU U 3 150 ? -24.091 23.305 25.870 1.00 74.86 ? 168 LEU c CG 1 +ATOM 33632 C CD1 . LEU U 3 150 ? -23.513 21.997 25.395 1.00 67.92 ? 168 LEU c CD1 1 +ATOM 33633 C CD2 . LEU U 3 150 ? -23.295 24.493 25.333 1.00 62.82 ? 168 LEU c CD2 1 +ATOM 33634 N N . GLY U 3 151 ? -28.585 24.409 25.720 1.00 59.87 ? 169 GLY c N 1 +ATOM 33635 C CA . GLY U 3 151 ? -29.872 24.666 25.094 1.00 74.01 ? 169 GLY c CA 1 +ATOM 33636 C C . GLY U 3 151 ? -30.327 26.101 25.268 1.00 80.30 ? 169 GLY c C 1 +ATOM 33637 O O . GLY U 3 151 ? -30.944 26.680 24.369 1.00 78.69 ? 169 GLY c O 1 +ATOM 33638 N N . ILE U 3 152 ? -30.024 26.696 26.425 1.00 72.89 ? 170 ILE c N 1 +ATOM 33639 C CA . ILE U 3 152 ? -30.318 28.113 26.631 1.00 82.45 ? 170 ILE c CA 1 +ATOM 33640 C C . ILE U 3 152 ? -29.488 28.959 25.678 1.00 72.62 ? 170 ILE c C 1 +ATOM 33641 O O . ILE U 3 152 ? -29.962 29.973 25.147 1.00 76.56 ? 170 ILE c O 1 +ATOM 33642 C CB . ILE U 3 152 ? -30.073 28.505 28.106 1.00 74.90 ? 170 ILE c CB 1 +ATOM 33643 C CG1 . ILE U 3 152 ? -31.151 27.904 29.014 1.00 73.44 ? 170 ILE c CG1 1 +ATOM 33644 C CG2 . ILE U 3 152 ? -29.981 30.024 28.275 1.00 61.92 ? 170 ILE c CG2 1 +ATOM 33645 C CD1 . ILE U 3 152 ? -30.668 27.666 30.433 1.00 91.64 ? 170 ILE c CD1 1 +ATOM 33646 N N . GLY U 3 153 ? -28.233 28.557 25.447 1.00 75.02 ? 171 GLY c N 1 +ATOM 33647 C CA . GLY U 3 153 ? -27.398 29.275 24.492 1.00 81.71 ? 171 GLY c CA 1 +ATOM 33648 C C . GLY U 3 153 ? -27.952 29.219 23.077 1.00 75.02 ? 171 GLY c C 1 +ATOM 33649 O O . GLY U 3 153 ? -27.970 30.226 22.368 1.00 69.93 ? 171 GLY c O 1 +ATOM 33650 N N . ALA U 3 154 ? -28.424 28.044 22.653 1.00 67.83 ? 172 ALA c N 1 +ATOM 33651 C CA . ALA U 3 154 ? -29.073 27.954 21.350 1.00 85.92 ? 172 ALA c CA 1 +ATOM 33652 C C . ALA U 3 154 ? -30.268 28.896 21.284 1.00 80.69 ? 172 ALA c C 1 +ATOM 33653 O O . ALA U 3 154 ? -30.457 29.606 20.288 1.00 82.55 ? 172 ALA c O 1 +ATOM 33654 C CB . ALA U 3 154 ? -29.493 26.506 21.058 1.00 59.53 ? 172 ALA c CB 1 +ATOM 33655 N N . LEU U 3 155 ? -31.062 28.952 22.358 1.00 77.70 ? 173 LEU c N 1 +ATOM 33656 C CA . LEU U 3 155 ? -32.253 29.794 22.345 1.00 66.62 ? 173 LEU c CA 1 +ATOM 33657 C C . LEU U 3 155 ? -31.907 31.276 22.364 1.00 65.94 ? 173 LEU c C 1 +ATOM 33658 O O . LEU U 3 155 ? -32.698 32.089 21.869 1.00 71.60 ? 173 LEU c O 1 +ATOM 33659 C CB . LEU U 3 155 ? -33.174 29.424 23.512 1.00 66.73 ? 173 LEU c CB 1 +ATOM 33660 C CG . LEU U 3 155 ? -33.683 27.974 23.461 1.00 76.20 ? 173 LEU c CG 1 +ATOM 33661 C CD1 . LEU U 3 155 ? -34.480 27.598 24.708 1.00 82.13 ? 173 LEU c CD1 1 +ATOM 33662 C CD2 . LEU U 3 155 ? -34.499 27.715 22.212 1.00 67.06 ? 173 LEU c CD2 1 +ATOM 33663 N N . LEU U 3 156 ? -30.735 31.653 22.884 1.00 66.82 ? 174 LEU c N 1 +ATOM 33664 C CA . LEU U 3 156 ? -30.339 33.056 22.806 1.00 58.71 ? 174 LEU c CA 1 +ATOM 33665 C C . LEU U 3 156 ? -30.196 33.498 21.364 1.00 79.50 ? 174 LEU c C 1 +ATOM 33666 O O . LEU U 3 156 ? -30.484 34.658 21.033 1.00 73.46 ? 174 LEU c O 1 +ATOM 33667 C CB . LEU U 3 156 ? -29.028 33.297 23.555 1.00 76.16 ? 174 LEU c CB 1 +ATOM 33668 C CG . LEU U 3 156 ? -29.043 33.247 25.088 1.00 89.19 ? 174 LEU c CG 1 +ATOM 33669 C CD1 . LEU U 3 156 ? -27.621 33.336 25.633 1.00 76.03 ? 174 LEU c CD1 1 +ATOM 33670 C CD2 . LEU U 3 156 ? -29.903 34.376 25.650 1.00 70.15 ? 174 LEU c CD2 1 +ATOM 33671 N N . LEU U 3 157 ? -29.735 32.594 20.497 1.00 80.95 ? 175 LEU c N 1 +ATOM 33672 C CA . LEU U 3 157 ? -29.656 32.905 19.078 1.00 73.43 ? 175 LEU c CA 1 +ATOM 33673 C C . LEU U 3 157 ? -31.044 33.124 18.502 1.00 70.36 ? 175 LEU c C 1 +ATOM 33674 O O . LEU U 3 157 ? -31.273 34.090 17.771 1.00 63.03 ? 175 LEU c O 1 +ATOM 33675 C CB . LEU U 3 157 ? -28.937 31.787 18.326 1.00 84.91 ? 175 LEU c CB 1 +ATOM 33676 C CG . LEU U 3 157 ? -28.853 32.015 16.817 1.00 72.09 ? 175 LEU c CG 1 +ATOM 33677 C CD1 . LEU U 3 157 ? -27.989 33.239 16.528 1.00 61.27 ? 175 LEU c CD1 1 +ATOM 33678 C CD2 . LEU U 3 157 ? -28.304 30.788 16.124 1.00 71.58 ? 175 LEU c CD2 1 +ATOM 33679 N N . VAL U 3 158 ? -31.988 32.234 18.834 1.00 65.03 ? 176 VAL c N 1 +ATOM 33680 C CA . VAL U 3 158 ? -33.362 32.388 18.364 1.00 64.34 ? 176 VAL c CA 1 +ATOM 33681 C C . VAL U 3 158 ? -33.929 33.737 18.790 1.00 93.67 ? 176 VAL c C 1 +ATOM 33682 O O . VAL U 3 158 ? -34.565 34.444 17.993 1.00 84.52 ? 176 VAL c O 1 +ATOM 33683 C CB . VAL U 3 158 ? -34.231 31.238 18.888 1.00 65.85 ? 176 VAL c CB 1 +ATOM 33684 C CG1 . VAL U 3 158 ? -35.666 31.431 18.433 1.00 69.89 ? 176 VAL c CG1 1 +ATOM 33685 C CG2 . VAL U 3 158 ? -33.656 29.902 18.446 1.00 61.86 ? 176 VAL c CG2 1 +ATOM 33686 N N . ALA U 3 159 ? -33.702 34.116 20.055 1.00 78.22 ? 177 ALA c N 1 +ATOM 33687 C CA . ALA U 3 159 ? -34.260 35.356 20.583 1.00 80.19 ? 177 ALA c CA 1 +ATOM 33688 C C . ALA U 3 159 ? -33.699 36.573 19.857 1.00 80.96 ? 177 ALA c C 1 +ATOM 33689 O O . ALA U 3 159 ? -34.442 37.510 19.538 1.00 80.85 ? 177 ALA c O 1 +ATOM 33690 C CB . ALA U 3 159 ? -33.988 35.448 22.085 1.00 64.70 ? 177 ALA c CB 1 +ATOM 33691 N N . LYS U 3 160 ? -32.386 36.593 19.609 1.00 71.22 ? 178 LYS c N 1 +ATOM 33692 C CA . LYS U 3 160 ? -31.818 37.666 18.802 1.00 68.13 ? 178 LYS c CA 1 +ATOM 33693 C C . LYS U 3 160 ? -32.459 37.696 17.423 1.00 78.27 ? 178 LYS c C 1 +ATOM 33694 O O . LYS U 3 160 ? -32.785 38.768 16.896 1.00 69.96 ? 178 LYS c O 1 +ATOM 33695 C CB . LYS U 3 160 ? -30.310 37.490 18.675 1.00 70.10 ? 178 LYS c CB 1 +ATOM 33696 C CG . LYS U 3 160 ? -29.655 38.488 17.739 1.00 67.41 ? 178 LYS c CG 1 +ATOM 33697 C CD . LYS U 3 160 ? -29.163 39.698 18.501 1.00 67.45 ? 178 LYS c CD 1 +ATOM 33698 C CE . LYS U 3 160 ? -28.627 40.770 17.565 1.00 69.91 ? 178 LYS c CE 1 +ATOM 33699 N NZ . LYS U 3 160 ? -29.612 41.158 16.517 1.00 67.08 ? 178 LYS c NZ 1 +ATOM 33700 N N . ALA U 3 161 ? -32.664 36.519 16.832 1.00 67.77 ? 179 ALA c N 1 +ATOM 33701 C CA . ALA U 3 161 ? -33.227 36.451 15.494 1.00 84.12 ? 179 ALA c CA 1 +ATOM 33702 C C . ALA U 3 161 ? -34.683 36.897 15.487 1.00 87.46 ? 179 ALA c C 1 +ATOM 33703 O O . ALA U 3 161 ? -35.097 37.662 14.606 1.00 80.55 ? 179 ALA c O 1 +ATOM 33704 C CB . ALA U 3 161 ? -33.090 35.029 14.940 1.00 68.30 ? 179 ALA c CB 1 +ATOM 33705 N N . MET U 3 162 ? -35.473 36.442 16.461 1.00 72.71 ? 180 MET c N 1 +ATOM 33706 C CA . MET U 3 162 ? -36.910 36.688 16.415 1.00 80.08 ? 180 MET c CA 1 +ATOM 33707 C C . MET U 3 162 ? -37.336 37.959 17.140 1.00 85.19 ? 180 MET c C 1 +ATOM 33708 O O . MET U 3 162 ? -38.369 38.537 16.780 1.00 84.27 ? 180 MET c O 1 +ATOM 33709 C CB . MET U 3 162 ? -37.683 35.493 16.989 1.00 70.36 ? 180 MET c CB 1 +ATOM 33710 C CG . MET U 3 162 ? -37.398 34.187 16.286 1.00 68.22 ? 180 MET c CG 1 +ATOM 33711 S SD . MET U 3 162 ? -38.617 32.910 16.620 1.00 78.47 ? 180 MET c SD 1 +ATOM 33712 C CE . MET U 3 162 ? -40.083 33.694 15.955 1.00 88.74 ? 180 MET c CE 1 +ATOM 33713 N N . PHE U 3 163 ? -36.565 38.439 18.130 1.00 68.59 ? 181 PHE c N 1 +ATOM 33714 C CA . PHE U 3 163 ? -37.052 39.497 19.007 1.00 73.42 ? 181 PHE c CA 1 +ATOM 33715 C C . PHE U 3 163 ? -36.085 40.642 19.291 1.00 86.59 ? 181 PHE c C 1 +ATOM 33716 O O . PHE U 3 163 ? -36.504 41.619 19.917 1.00 101.43 ? 181 PHE c O 1 +ATOM 33717 C CB . PHE U 3 163 ? -37.501 38.905 20.358 1.00 82.45 ? 181 PHE c CB 1 +ATOM 33718 C CG . PHE U 3 163 ? -38.465 37.762 20.228 1.00 73.57 ? 181 PHE c CG 1 +ATOM 33719 C CD1 . PHE U 3 163 ? -39.664 37.924 19.554 1.00 86.04 ? 181 PHE c CD1 1 +ATOM 33720 C CD2 . PHE U 3 163 ? -38.169 36.520 20.777 1.00 93.36 ? 181 PHE c CD2 1 +ATOM 33721 C CE1 . PHE U 3 163 ? -40.555 36.872 19.424 1.00 87.23 ? 181 PHE c CE1 1 +ATOM 33722 C CE2 . PHE U 3 163 ? -39.061 35.455 20.657 1.00 76.00 ? 181 PHE c CE2 1 +ATOM 33723 C CZ . PHE U 3 163 ? -40.253 35.634 19.978 1.00 83.83 ? 181 PHE c CZ 1 +ATOM 33724 N N . PHE U 3 164 ? -34.824 40.568 18.882 1.00 78.49 ? 182 PHE c N 1 +ATOM 33725 C CA . PHE U 3 164 ? -33.877 41.626 19.230 1.00 71.81 ? 182 PHE c CA 1 +ATOM 33726 C C . PHE U 3 164 ? -33.099 42.095 18.014 1.00 68.86 ? 182 PHE c C 1 +ATOM 33727 O O . PHE U 3 164 ? -31.872 42.191 18.036 1.00 86.09 ? 182 PHE c O 1 +ATOM 33728 C CB . PHE U 3 164 ? -32.906 41.184 20.322 1.00 84.01 ? 182 PHE c CB 1 +ATOM 33729 C CG . PHE U 3 164 ? -33.569 40.854 21.625 1.00 104.06 ? 182 PHE c CG 1 +ATOM 33730 C CD1 . PHE U 3 164 ? -33.661 41.803 22.627 1.00 108.94 ? 182 PHE c CD1 1 +ATOM 33731 C CD2 . PHE U 3 164 ? -34.105 39.593 21.849 1.00 99.23 ? 182 PHE c CD2 1 +ATOM 33732 C CE1 . PHE U 3 164 ? -34.276 41.500 23.833 1.00 113.53 ? 182 PHE c CE1 1 +ATOM 33733 C CE2 . PHE U 3 164 ? -34.725 39.286 23.055 1.00 104.92 ? 182 PHE c CE2 1 +ATOM 33734 C CZ . PHE U 3 164 ? -34.808 40.242 24.048 1.00 90.58 ? 182 PHE c CZ 1 +ATOM 33735 N N . GLY U 3 165 ? -33.810 42.432 16.936 1.00 79.05 ? 183 GLY c N 1 +ATOM 33736 C CA . GLY U 3 165 ? -33.220 43.028 15.753 1.00 77.00 ? 183 GLY c CA 1 +ATOM 33737 C C . GLY U 3 165 ? -33.149 42.097 14.552 1.00 80.01 ? 183 GLY c C 1 +ATOM 33738 O O . GLY U 3 165 ? -33.279 42.564 13.415 1.00 83.52 ? 183 GLY c O 1 +ATOM 33739 N N . GLY U 3 166 ? -32.952 40.802 14.776 1.00 80.05 ? 184 GLY c N 1 +ATOM 33740 C CA . GLY U 3 166 ? -32.821 39.836 13.698 1.00 70.19 ? 184 GLY c CA 1 +ATOM 33741 C C . GLY U 3 166 ? -31.373 39.508 13.384 1.00 81.81 ? 184 GLY c C 1 +ATOM 33742 O O . GLY U 3 166 ? -30.452 39.766 14.163 1.00 74.86 ? 184 GLY c O 1 +ATOM 33743 N N . LEU U 3 167 ? -31.178 38.919 12.206 1.00 82.88 ? 185 LEU c N 1 +ATOM 33744 C CA . LEU U 3 167 ? -29.866 38.489 11.742 1.00 80.17 ? 185 LEU c CA 1 +ATOM 33745 C C . LEU U 3 167 ? -29.562 39.109 10.385 1.00 77.19 ? 185 LEU c C 1 +ATOM 33746 O O . LEU U 3 167 ? -30.471 39.467 9.630 1.00 71.80 ? 185 LEU c O 1 +ATOM 33747 C CB . LEU U 3 167 ? -29.786 36.957 11.646 1.00 72.49 ? 185 LEU c CB 1 +ATOM 33748 C CG . LEU U 3 167 ? -29.978 36.171 12.948 1.00 67.27 ? 185 LEU c CG 1 +ATOM 33749 C CD1 . LEU U 3 167 ? -29.958 34.684 12.649 1.00 68.79 ? 185 LEU c CD1 1 +ATOM 33750 C CD2 . LEU U 3 167 ? -28.901 36.525 13.950 1.00 70.45 ? 185 LEU c CD2 1 +ATOM 33751 N N . TYR U 3 168 ? -28.272 39.239 10.073 1.00 66.97 ? 186 TYR c N 1 +ATOM 33752 C CA . TYR U 3 168 ? -27.897 39.674 8.733 1.00 69.22 ? 186 TYR c CA 1 +ATOM 33753 C C . TYR U 3 168 ? -28.228 38.582 7.713 1.00 71.29 ? 186 TYR c C 1 +ATOM 33754 O O . TYR U 3 168 ? -27.830 37.424 7.871 1.00 61.65 ? 186 TYR c O 1 +ATOM 33755 C CB . TYR U 3 168 ? -26.416 40.034 8.662 1.00 62.54 ? 186 TYR c CB 1 +ATOM 33756 C CG . TYR U 3 168 ? -26.074 40.571 7.299 1.00 78.70 ? 186 TYR c CG 1 +ATOM 33757 C CD1 . TYR U 3 168 ? -26.272 41.914 7.002 1.00 72.55 ? 186 TYR c CD1 1 +ATOM 33758 C CD2 . TYR U 3 168 ? -25.615 39.728 6.282 1.00 74.76 ? 186 TYR c CD2 1 +ATOM 33759 C CE1 . TYR U 3 168 ? -25.994 42.427 5.750 1.00 67.59 ? 186 TYR c CE1 1 +ATOM 33760 C CE2 . TYR U 3 168 ? -25.334 40.229 5.011 1.00 75.53 ? 186 TYR c CE2 1 +ATOM 33761 C CZ . TYR U 3 168 ? -25.529 41.590 4.751 1.00 76.57 ? 186 TYR c CZ 1 +ATOM 33762 O OH . TYR U 3 168 ? -25.263 42.124 3.508 1.00 64.78 ? 186 TYR c OH 1 +ATOM 33763 N N . ASP U 3 169 ? -28.971 38.947 6.669 1.00 64.87 ? 187 ASP c N 1 +ATOM 33764 C CA . ASP U 3 169 ? -29.447 37.999 5.662 1.00 70.87 ? 187 ASP c CA 1 +ATOM 33765 C C . ASP U 3 169 ? -28.817 38.369 4.325 1.00 71.44 ? 187 ASP c C 1 +ATOM 33766 O O . ASP U 3 169 ? -29.212 39.360 3.697 1.00 67.47 ? 187 ASP c O 1 +ATOM 33767 C CB . ASP U 3 169 ? -30.967 38.014 5.568 1.00 58.06 ? 187 ASP c CB 1 +ATOM 33768 C CG . ASP U 3 169 ? -31.502 36.997 4.600 1.00 71.03 ? 187 ASP c CG 1 +ATOM 33769 O OD1 . ASP U 3 169 ? -30.739 36.092 4.176 1.00 70.86 ? 187 ASP c OD1 1 +ATOM 33770 O OD2 . ASP U 3 169 ? -32.706 37.087 4.277 1.00 75.75 ? 187 ASP c OD2 1 +ATOM 33771 N N . THR U 3 170 ? -27.832 37.580 3.892 1.00 69.89 ? 188 THR c N 1 +ATOM 33772 C CA . THR U 3 170 ? -27.175 37.869 2.622 1.00 70.45 ? 188 THR c CA 1 +ATOM 33773 C C . THR U 3 170 ? -28.128 37.700 1.447 1.00 68.67 ? 188 THR c C 1 +ATOM 33774 O O . THR U 3 170 ? -27.911 38.302 0.388 1.00 61.03 ? 188 THR c O 1 +ATOM 33775 C CB . THR U 3 170 ? -25.950 36.970 2.459 1.00 71.81 ? 188 THR c CB 1 +ATOM 33776 O OG1 . THR U 3 170 ? -25.124 37.465 1.399 1.00 59.04 ? 188 THR c OG1 1 +ATOM 33777 C CG2 . THR U 3 170 ? -26.379 35.530 2.160 1.00 57.67 ? 188 THR c CG2 1 +ATOM 33778 N N . TRP U 3 171 ? -29.193 36.924 1.627 1.00 58.92 ? 189 TRP c N 1 +ATOM 33779 C CA . TRP U 3 171 ? -30.182 36.660 0.595 1.00 54.79 ? 189 TRP c CA 1 +ATOM 33780 C C . TRP U 3 171 ? -31.341 37.648 0.584 1.00 71.04 ? 189 TRP c C 1 +ATOM 33781 O O . TRP U 3 171 ? -32.299 37.431 -0.162 1.00 79.04 ? 189 TRP c O 1 +ATOM 33782 C CB . TRP U 3 171 ? -30.759 35.260 0.778 1.00 51.17 ? 189 TRP c CB 1 +ATOM 33783 C CG . TRP U 3 171 ? -29.759 34.155 0.690 1.00 78.74 ? 189 TRP c CG 1 +ATOM 33784 C CD1 . TRP U 3 171 ? -29.183 33.486 1.728 1.00 63.38 ? 189 TRP c CD1 1 +ATOM 33785 C CD2 . TRP U 3 171 ? -29.233 33.565 -0.509 1.00 77.21 ? 189 TRP c CD2 1 +ATOM 33786 N NE1 . TRP U 3 171 ? -28.333 32.515 1.257 1.00 63.43 ? 189 TRP c NE1 1 +ATOM 33787 C CE2 . TRP U 3 171 ? -28.345 32.539 -0.112 1.00 76.62 ? 189 TRP c CE2 1 +ATOM 33788 C CE3 . TRP U 3 171 ? -29.430 33.802 -1.875 1.00 63.61 ? 189 TRP c CE3 1 +ATOM 33789 C CZ2 . TRP U 3 171 ? -27.645 31.753 -1.036 1.00 66.83 ? 189 TRP c CZ2 1 +ATOM 33790 C CZ3 . TRP U 3 171 ? -28.734 33.020 -2.794 1.00 66.98 ? 189 TRP c CZ3 1 +ATOM 33791 C CH2 . TRP U 3 171 ? -27.852 32.015 -2.371 1.00 68.29 ? 189 TRP c CH2 1 +ATOM 33792 N N . ALA U 3 172 ? -31.305 38.698 1.398 1.00 70.47 ? 190 ALA c N 1 +ATOM 33793 C CA . ALA U 3 172 ? -32.468 39.563 1.526 1.00 77.10 ? 190 ALA c CA 1 +ATOM 33794 C C . ALA U 3 172 ? -32.602 40.463 0.296 1.00 85.80 ? 190 ALA c C 1 +ATOM 33795 O O . ALA U 3 172 ? -31.597 40.985 -0.204 1.00 82.56 ? 190 ALA c O 1 +ATOM 33796 C CB . ALA U 3 172 ? -32.369 40.414 2.785 1.00 65.93 ? 190 ALA c CB 1 +ATOM 33797 N N . PRO U 3 173 ? -33.838 40.657 -0.220 1.00 100.58 ? 191 PRO c N 1 +ATOM 33798 C CA . PRO U 3 173 ? -34.057 41.569 -1.356 1.00 94.03 ? 191 PRO c CA 1 +ATOM 33799 C C . PRO U 3 173 ? -33.301 42.878 -1.239 1.00 84.22 ? 191 PRO c C 1 +ATOM 33800 O O . PRO U 3 173 ? -33.350 43.543 -0.200 1.00 104.39 ? 191 PRO c O 1 +ATOM 33801 C CB . PRO U 3 173 ? -35.568 41.810 -1.315 1.00 88.00 ? 191 PRO c CB 1 +ATOM 33802 C CG . PRO U 3 173 ? -36.125 40.536 -0.753 1.00 105.38 ? 191 PRO c CG 1 +ATOM 33803 C CD . PRO U 3 173 ? -35.079 39.972 0.191 1.00 88.54 ? 191 PRO c CD 1 +ATOM 33804 N N . GLY U 3 174 ? -32.566 43.234 -2.286 1.00 85.77 ? 192 GLY c N 1 +ATOM 33805 C CA . GLY U 3 174 ? -31.895 44.518 -2.314 1.00 98.21 ? 192 GLY c CA 1 +ATOM 33806 C C . GLY U 3 174 ? -30.462 44.502 -1.825 1.00 97.98 ? 192 GLY c C 1 +ATOM 33807 O O . GLY U 3 174 ? -30.008 45.464 -1.197 1.00 124.97 ? 192 GLY c O 1 +ATOM 33808 N N . GLY U 3 175 ? -29.742 43.418 -2.102 1.00 107.61 ? 193 GLY c N 1 +ATOM 33809 C CA . GLY U 3 175 ? -28.329 43.357 -1.792 1.00 104.26 ? 193 GLY c CA 1 +ATOM 33810 C C . GLY U 3 175 ? -27.981 42.853 -0.411 1.00 83.95 ? 193 GLY c C 1 +ATOM 33811 O O . GLY U 3 175 ? -26.797 42.859 -0.047 1.00 87.49 ? 193 GLY c O 1 +ATOM 33812 N N . GLY U 3 176 ? -28.965 42.423 0.374 1.00 78.74 ? 194 GLY c N 1 +ATOM 33813 C CA . GLY U 3 176 ? -28.666 41.884 1.686 1.00 80.25 ? 194 GLY c CA 1 +ATOM 33814 C C . GLY U 3 176 ? -28.879 42.883 2.803 1.00 95.65 ? 194 GLY c C 1 +ATOM 33815 O O . GLY U 3 176 ? -28.522 44.060 2.676 1.00 86.37 ? 194 GLY c O 1 +ATOM 33816 N N . ASP U 3 177 ? -29.453 42.429 3.912 1.00 78.65 ? 195 ASP c N 1 +ATOM 33817 C CA . ASP U 3 177 ? -29.812 43.356 4.973 1.00 76.41 ? 195 ASP c CA 1 +ATOM 33818 C C . ASP U 3 177 ? -30.007 42.594 6.274 1.00 74.17 ? 195 ASP c C 1 +ATOM 33819 O O . ASP U 3 177 ? -30.122 41.360 6.293 1.00 70.51 ? 195 ASP c O 1 +ATOM 33820 C CB . ASP U 3 177 ? -31.086 44.114 4.603 1.00 89.64 ? 195 ASP c CB 1 +ATOM 33821 C CG . ASP U 3 177 ? -31.191 45.442 5.297 1.00 81.65 ? 195 ASP c CG 1 +ATOM 33822 O OD1 . ASP U 3 177 ? -30.275 45.797 6.074 1.00 81.49 ? 195 ASP c OD1 1 +ATOM 33823 O OD2 . ASP U 3 177 ? -32.196 46.130 5.045 1.00 93.89 ? 195 ASP c OD2 1 +ATOM 33824 N N . VAL U 3 178 ? -30.073 43.354 7.367 1.00 68.46 ? 196 VAL c N 1 +ATOM 33825 C CA . VAL U 3 178 ? -30.526 42.794 8.634 1.00 69.49 ? 196 VAL c CA 1 +ATOM 33826 C C . VAL U 3 178 ? -32.028 42.554 8.562 1.00 67.45 ? 196 VAL c C 1 +ATOM 33827 O O . VAL U 3 178 ? -32.787 43.389 8.059 1.00 86.57 ? 196 VAL c O 1 +ATOM 33828 C CB . VAL U 3 178 ? -30.163 43.729 9.798 1.00 70.02 ? 196 VAL c CB 1 +ATOM 33829 C CG1 . VAL U 3 178 ? -30.695 43.166 11.104 1.00 64.18 ? 196 VAL c CG1 1 +ATOM 33830 C CG2 . VAL U 3 178 ? -28.656 43.952 9.853 1.00 61.24 ? 196 VAL c CG2 1 +ATOM 33831 N N . ARG U 3 179 ? -32.473 41.407 9.059 1.00 73.63 ? 197 ARG c N 1 +ATOM 33832 C CA . ARG U 3 179 ? -33.869 41.033 8.909 1.00 75.22 ? 197 ARG c CA 1 +ATOM 33833 C C . ARG U 3 179 ? -34.328 40.242 10.128 1.00 83.75 ? 197 ARG c C 1 +ATOM 33834 O O . ARG U 3 179 ? -33.601 39.380 10.629 1.00 73.31 ? 197 ARG c O 1 +ATOM 33835 C CB . ARG U 3 179 ? -34.069 40.220 7.624 1.00 83.27 ? 197 ARG c CB 1 +ATOM 33836 C CG . ARG U 3 179 ? -35.411 39.516 7.519 1.00 82.12 ? 197 ARG c CG 1 +ATOM 33837 C CD . ARG U 3 179 ? -35.645 39.000 6.107 1.00 72.00 ? 197 ARG c CD 1 +ATOM 33838 N NE . ARG U 3 179 ? -34.959 37.741 5.845 1.00 72.53 ? 197 ARG c NE 1 +ATOM 33839 C CZ . ARG U 3 179 ? -35.489 36.543 6.059 1.00 75.80 ? 197 ARG c CZ 1 +ATOM 33840 N NH1 . ARG U 3 179 ? -36.687 36.405 6.603 1.00 75.55 ? 197 ARG c NH1 1 +ATOM 33841 N NH2 . ARG U 3 179 ? -34.807 35.457 5.708 1.00 77.83 ? 197 ARG c NH2 1 +ATOM 33842 N N . VAL U 3 180 ? -35.531 40.543 10.601 1.00 72.29 ? 198 VAL c N 1 +ATOM 33843 C CA . VAL U 3 180 ? -36.129 39.782 11.687 1.00 68.50 ? 198 VAL c CA 1 +ATOM 33844 C C . VAL U 3 180 ? -36.763 38.528 11.114 1.00 66.07 ? 198 VAL c C 1 +ATOM 33845 O O . VAL U 3 180 ? -37.400 38.565 10.057 1.00 79.36 ? 198 VAL c O 1 +ATOM 33846 C CB . VAL U 3 180 ? -37.151 40.644 12.452 1.00 74.84 ? 198 VAL c CB 1 +ATOM 33847 C CG1 . VAL U 3 180 ? -37.816 39.842 13.546 1.00 66.22 ? 198 VAL c CG1 1 +ATOM 33848 C CG2 . VAL U 3 180 ? -36.465 41.849 13.039 1.00 72.37 ? 198 VAL c CG2 1 +ATOM 33849 N N . ILE U 3 181 ? -36.574 37.409 11.802 1.00 78.18 ? 199 ILE c N 1 +ATOM 33850 C CA . ILE U 3 181 ? -37.070 36.111 11.365 1.00 84.09 ? 199 ILE c CA 1 +ATOM 33851 C C . ILE U 3 181 ? -38.375 35.860 12.097 1.00 81.83 ? 199 ILE c C 1 +ATOM 33852 O O . ILE U 3 181 ? -38.378 35.646 13.312 1.00 104.86 ? 199 ILE c O 1 +ATOM 33853 C CB . ILE U 3 181 ? -36.057 34.995 11.646 1.00 87.77 ? 199 ILE c CB 1 +ATOM 33854 C CG1 . ILE U 3 181 ? -34.719 35.317 10.978 1.00 76.04 ? 199 ILE c CG1 1 +ATOM 33855 C CG2 . ILE U 3 181 ? -36.602 33.645 11.176 1.00 83.23 ? 199 ILE c CG2 1 +ATOM 33856 C CD1 . ILE U 3 181 ? -34.841 35.513 9.510 1.00 70.77 ? 199 ILE c CD1 1 +ATOM 33857 N N . THR U 3 182 ? -39.488 35.877 11.370 1.00 83.56 ? 200 THR c N 1 +ATOM 33858 C CA . THR U 3 182 ? -40.795 35.767 11.994 1.00 75.81 ? 200 THR c CA 1 +ATOM 33859 C C . THR U 3 182 ? -41.450 34.409 11.812 1.00 73.37 ? 200 THR c C 1 +ATOM 33860 O O . THR U 3 182 ? -42.350 34.075 12.587 1.00 90.04 ? 200 THR c O 1 +ATOM 33861 C CB . THR U 3 182 ? -41.735 36.863 11.463 1.00 79.57 ? 200 THR c CB 1 +ATOM 33862 O OG1 . THR U 3 182 ? -42.145 36.561 10.121 1.00 82.47 ? 200 THR c OG1 1 +ATOM 33863 C CG2 . THR U 3 182 ? -41.023 38.196 11.463 1.00 85.59 ? 200 THR c CG2 1 +ATOM 33864 N N . ASN U 3 183 ? -41.028 33.619 10.824 1.00 81.52 ? 201 ASN c N 1 +ATOM 33865 C CA . ASN U 3 183 ? -41.521 32.254 10.633 1.00 80.92 ? 201 ASN c CA 1 +ATOM 33866 C C . ASN U 3 183 ? -40.345 31.292 10.560 1.00 83.12 ? 201 ASN c C 1 +ATOM 33867 O O . ASN U 3 183 ? -39.990 30.811 9.477 1.00 84.16 ? 201 ASN c O 1 +ATOM 33868 C CB . ASN U 3 183 ? -42.381 32.138 9.374 1.00 105.69 ? 201 ASN c CB 1 +ATOM 33869 C CG . ASN U 3 183 ? -43.765 32.731 9.554 1.00 126.02 ? 201 ASN c CG 1 +ATOM 33870 O OD1 . ASN U 3 183 ? -43.923 33.954 9.636 1.00 113.76 ? 201 ASN c OD1 1 +ATOM 33871 N ND2 . ASN U 3 183 ? -44.782 31.865 9.606 1.00 120.04 ? 201 ASN c ND2 1 +ATOM 33872 N N . PRO U 3 184 ? -39.718 30.983 11.691 1.00 88.32 ? 202 PRO c N 1 +ATOM 33873 C CA . PRO U 3 184 ? -38.670 29.959 11.680 1.00 78.62 ? 202 PRO c CA 1 +ATOM 33874 C C . PRO U 3 184 ? -39.251 28.616 11.271 1.00 80.54 ? 202 PRO c C 1 +ATOM 33875 O O . PRO U 3 184 ? -40.428 28.326 11.494 1.00 82.16 ? 202 PRO c O 1 +ATOM 33876 C CB . PRO U 3 184 ? -38.173 29.940 13.134 1.00 81.15 ? 202 PRO c CB 1 +ATOM 33877 C CG . PRO U 3 184 ? -39.336 30.430 13.927 1.00 78.57 ? 202 PRO c CG 1 +ATOM 33878 C CD . PRO U 3 184 ? -40.004 31.466 13.056 1.00 74.91 ? 202 PRO c CD 1 +ATOM 33879 N N . THR U 3 185 ? -38.412 27.790 10.660 1.00 75.81 ? 203 THR c N 1 +ATOM 33880 C CA . THR U 3 185 ? -38.881 26.511 10.158 1.00 81.98 ? 203 THR c CA 1 +ATOM 33881 C C . THR U 3 185 ? -38.995 25.519 11.306 1.00 80.11 ? 203 THR c C 1 +ATOM 33882 O O . THR U 3 185 ? -38.052 25.343 12.077 1.00 74.62 ? 203 THR c O 1 +ATOM 33883 C CB . THR U 3 185 ? -37.929 25.992 9.087 1.00 75.02 ? 203 THR c CB 1 +ATOM 33884 O OG1 . THR U 3 185 ? -37.740 27.014 8.103 1.00 79.32 ? 203 THR c OG1 1 +ATOM 33885 C CG2 . THR U 3 185 ? -38.492 24.733 8.441 1.00 62.20 ? 203 THR c CG2 1 +ATOM 33886 N N . LEU U 3 186 ? -40.146 24.865 11.416 1.00 73.83 ? 204 LEU c N 1 +ATOM 33887 C CA . LEU U 3 186 ? -40.368 23.928 12.503 1.00 77.58 ? 204 LEU c CA 1 +ATOM 33888 C C . LEU U 3 186 ? -40.699 22.518 12.049 1.00 70.98 ? 204 LEU c C 1 +ATOM 33889 O O . LEU U 3 186 ? -40.594 21.595 12.862 1.00 80.80 ? 204 LEU c O 1 +ATOM 33890 C CB . LEU U 3 186 ? -41.483 24.441 13.428 1.00 79.40 ? 204 LEU c CB 1 +ATOM 33891 C CG . LEU U 3 186 ? -41.051 25.729 14.129 1.00 89.60 ? 204 LEU c CG 1 +ATOM 33892 C CD1 . LEU U 3 186 ? -42.158 26.313 15.004 1.00 89.60 ? 204 LEU c CD1 1 +ATOM 33893 C CD2 . LEU U 3 186 ? -39.788 25.455 14.945 1.00 85.48 ? 204 LEU c CD2 1 +ATOM 33894 N N . ASP U 3 187 ? -41.077 22.325 10.794 1.00 68.49 ? 205 ASP c N 1 +ATOM 33895 C CA . ASP U 3 187 ? -41.362 21.002 10.255 1.00 79.35 ? 205 ASP c CA 1 +ATOM 33896 C C . ASP U 3 187 ? -40.148 20.097 10.439 1.00 76.94 ? 205 ASP c C 1 +ATOM 33897 O O . ASP U 3 187 ? -39.085 20.375 9.865 1.00 75.33 ? 205 ASP c O 1 +ATOM 33898 C CB . ASP U 3 187 ? -41.734 21.109 8.773 1.00 69.04 ? 205 ASP c CB 1 +ATOM 33899 C CG . ASP U 3 187 ? -42.321 19.818 8.211 1.00 83.49 ? 205 ASP c CG 1 +ATOM 33900 O OD1 . ASP U 3 187 ? -42.234 18.761 8.871 1.00 95.43 ? 205 ASP c OD1 1 +ATOM 33901 O OD2 . ASP U 3 187 ? -42.883 19.862 7.097 1.00 109.99 ? 205 ASP c OD2 1 +ATOM 33902 N N . PRO U 3 188 ? -40.253 19.024 11.223 1.00 86.27 ? 206 PRO c N 1 +ATOM 33903 C CA . PRO U 3 188 ? -39.081 18.159 11.439 1.00 83.14 ? 206 PRO c CA 1 +ATOM 33904 C C . PRO U 3 188 ? -38.603 17.466 10.178 1.00 88.16 ? 206 PRO c C 1 +ATOM 33905 O O . PRO U 3 188 ? -37.440 17.049 10.114 1.00 84.57 ? 206 PRO c O 1 +ATOM 33906 C CB . PRO U 3 188 ? -39.576 17.149 12.484 1.00 85.84 ? 206 PRO c CB 1 +ATOM 33907 C CG . PRO U 3 188 ? -41.065 17.159 12.347 1.00 88.37 ? 206 PRO c CG 1 +ATOM 33908 C CD . PRO U 3 188 ? -41.439 18.559 11.959 1.00 85.73 ? 206 PRO c CD 1 +ATOM 33909 N N . ARG U 3 189 ? -39.456 17.334 9.164 1.00 76.16 ? 207 ARG c N 1 +ATOM 33910 C CA . ARG U 3 189 ? -38.989 16.765 7.912 1.00 72.24 ? 207 ARG c CA 1 +ATOM 33911 C C . ARG U 3 189 ? -38.009 17.695 7.207 1.00 75.19 ? 207 ARG c C 1 +ATOM 33912 O O . ARG U 3 189 ? -37.144 17.225 6.463 1.00 78.31 ? 207 ARG c O 1 +ATOM 33913 C CB . ARG U 3 189 ? -40.179 16.432 7.020 1.00 87.49 ? 207 ARG c CB 1 +ATOM 33914 C CG . ARG U 3 189 ? -41.056 15.324 7.600 1.00 107.88 ? 207 ARG c CG 1 +ATOM 33915 C CD . ARG U 3 189 ? -42.117 14.847 6.614 1.00 128.62 ? 207 ARG c CD 1 +ATOM 33916 N NE . ARG U 3 189 ? -42.988 15.936 6.188 1.00 143.14 ? 207 ARG c NE 1 +ATOM 33917 C CZ . ARG U 3 189 ? -44.084 16.316 6.831 1.00 144.84 ? 207 ARG c CZ 1 +ATOM 33918 N NH1 . ARG U 3 189 ? -44.495 15.694 7.926 1.00 143.53 ? 207 ARG c NH1 1 +ATOM 33919 N NH2 . ARG U 3 189 ? -44.783 17.350 6.366 1.00 128.46 ? 207 ARG c NH2 1 +ATOM 33920 N N . VAL U 3 190 ? -38.106 19.004 7.435 1.00 79.26 ? 208 VAL c N 1 +ATOM 33921 C CA . VAL U 3 190 ? -37.109 19.914 6.877 1.00 84.00 ? 208 VAL c CA 1 +ATOM 33922 C C . VAL U 3 190 ? -35.860 19.935 7.746 1.00 85.57 ? 208 VAL c C 1 +ATOM 33923 O O . VAL U 3 190 ? -34.734 19.869 7.235 1.00 77.76 ? 208 VAL c O 1 +ATOM 33924 C CB . VAL U 3 190 ? -37.693 21.330 6.708 1.00 76.75 ? 208 VAL c CB 1 +ATOM 33925 C CG1 . VAL U 3 190 ? -36.630 22.282 6.176 1.00 66.12 ? 208 VAL c CG1 1 +ATOM 33926 C CG2 . VAL U 3 190 ? -38.893 21.300 5.794 1.00 74.49 ? 208 VAL c CG2 1 +ATOM 33927 N N . ILE U 3 191 ? -36.048 20.015 9.070 1.00 79.68 ? 209 ILE c N 1 +ATOM 33928 C CA . ILE U 3 191 ? -34.929 20.207 9.990 1.00 71.18 ? 209 ILE c CA 1 +ATOM 33929 C C . ILE U 3 191 ? -34.055 18.965 10.036 1.00 64.59 ? 209 ILE c C 1 +ATOM 33930 O O . ILE U 3 191 ? -32.840 19.036 9.834 1.00 71.53 ? 209 ILE c O 1 +ATOM 33931 C CB . ILE U 3 191 ? -35.439 20.580 11.393 1.00 69.20 ? 209 ILE c CB 1 +ATOM 33932 C CG1 . ILE U 3 191 ? -36.233 21.884 11.345 1.00 63.86 ? 209 ILE c CG1 1 +ATOM 33933 C CG2 . ILE U 3 191 ? -34.269 20.676 12.386 1.00 68.30 ? 209 ILE c CG2 1 +ATOM 33934 C CD1 . ILE U 3 191 ? -35.391 23.117 11.049 1.00 66.66 ? 209 ILE c CD1 1 +ATOM 33935 N N . PHE U 3 192 ? -34.654 17.812 10.307 1.00 73.32 ? 210 PHE c N 1 +ATOM 33936 C CA . PHE U 3 192 ? -33.892 16.574 10.370 1.00 72.71 ? 210 PHE c CA 1 +ATOM 33937 C C . PHE U 3 192 ? -33.606 15.988 8.992 1.00 77.78 ? 210 PHE c C 1 +ATOM 33938 O O . PHE U 3 192 ? -32.757 15.100 8.881 1.00 73.13 ? 210 PHE c O 1 +ATOM 33939 C CB . PHE U 3 192 ? -34.629 15.564 11.255 1.00 69.63 ? 210 PHE c CB 1 +ATOM 33940 C CG . PHE U 3 192 ? -34.684 15.974 12.697 1.00 82.00 ? 210 PHE c CG 1 +ATOM 33941 C CD1 . PHE U 3 192 ? -33.589 15.771 13.531 1.00 80.78 ? 210 PHE c CD1 1 +ATOM 33942 C CD2 . PHE U 3 192 ? -35.811 16.594 13.219 1.00 90.66 ? 210 PHE c CD2 1 +ATOM 33943 C CE1 . PHE U 3 192 ? -33.620 16.163 14.851 1.00 70.57 ? 210 PHE c CE1 1 +ATOM 33944 C CE2 . PHE U 3 192 ? -35.851 16.990 14.549 1.00 83.11 ? 210 PHE c CE2 1 +ATOM 33945 C CZ . PHE U 3 192 ? -34.754 16.774 15.363 1.00 87.02 ? 210 PHE c CZ 1 +ATOM 33946 N N . GLY U 3 193 ? -34.268 16.475 7.942 1.00 78.71 ? 211 GLY c N 1 +ATOM 33947 C CA . GLY U 3 193 ? -33.892 16.075 6.596 1.00 73.11 ? 211 GLY c CA 1 +ATOM 33948 C C . GLY U 3 193 ? -32.537 16.611 6.176 1.00 73.77 ? 211 GLY c C 1 +ATOM 33949 O O . GLY U 3 193 ? -31.873 16.028 5.318 1.00 70.94 ? 211 GLY c O 1 +ATOM 33950 N N . TYR U 3 194 ? -32.105 17.727 6.763 1.00 66.36 ? 212 TYR c N 1 +ATOM 33951 C CA . TYR U 3 194 ? -30.728 18.158 6.559 1.00 60.96 ? 212 TYR c CA 1 +ATOM 33952 C C . TYR U 3 194 ? -29.742 17.104 7.058 1.00 75.41 ? 212 TYR c C 1 +ATOM 33953 O O . TYR U 3 194 ? -28.673 16.909 6.461 1.00 61.83 ? 212 TYR c O 1 +ATOM 33954 C CB . TYR U 3 194 ? -30.477 19.476 7.283 1.00 58.81 ? 212 TYR c CB 1 +ATOM 33955 C CG . TYR U 3 194 ? -30.809 20.729 6.510 1.00 63.83 ? 212 TYR c CG 1 +ATOM 33956 C CD1 . TYR U 3 194 ? -29.963 21.196 5.508 1.00 55.68 ? 212 TYR c CD1 1 +ATOM 33957 C CD2 . TYR U 3 194 ? -31.947 21.475 6.815 1.00 57.08 ? 212 TYR c CD2 1 +ATOM 33958 C CE1 . TYR U 3 194 ? -30.263 22.364 4.807 1.00 66.97 ? 212 TYR c CE1 1 +ATOM 33959 C CE2 . TYR U 3 194 ? -32.250 22.645 6.124 1.00 56.57 ? 212 TYR c CE2 1 +ATOM 33960 C CZ . TYR U 3 194 ? -31.405 23.088 5.131 1.00 59.03 ? 212 TYR c CZ 1 +ATOM 33961 O OH . TYR U 3 194 ? -31.697 24.253 4.458 1.00 63.60 ? 212 TYR c OH 1 +ATOM 33962 N N . LEU U 3 195 ? -30.089 16.421 8.164 1.00 62.28 ? 213 LEU c N 1 +ATOM 33963 C CA . LEU U 3 195 ? -29.185 15.469 8.803 1.00 59.62 ? 213 LEU c CA 1 +ATOM 33964 C C . LEU U 3 195 ? -29.006 14.199 7.989 1.00 56.21 ? 213 LEU c C 1 +ATOM 33965 O O . LEU U 3 195 ? -27.971 13.540 8.115 1.00 69.88 ? 213 LEU c O 1 +ATOM 33966 C CB . LEU U 3 195 ? -29.714 15.092 10.186 1.00 73.43 ? 213 LEU c CB 1 +ATOM 33967 C CG . LEU U 3 195 ? -29.303 15.828 11.456 1.00 85.08 ? 213 LEU c CG 1 +ATOM 33968 C CD1 . LEU U 3 195 ? -29.599 14.904 12.645 1.00 95.67 ? 213 LEU c CD1 1 +ATOM 33969 C CD2 . LEU U 3 195 ? -27.840 16.228 11.436 1.00 63.01 ? 213 LEU c CD2 1 +ATOM 33970 N N . LEU U 3 196 ? -30.011 13.810 7.199 1.00 66.50 ? 214 LEU c N 1 +ATOM 33971 C CA . LEU U 3 196 ? -29.964 12.589 6.397 1.00 68.52 ? 214 LEU c CA 1 +ATOM 33972 C C . LEU U 3 196 ? -29.503 12.839 4.971 1.00 65.70 ? 214 LEU c C 1 +ATOM 33973 O O . LEU U 3 196 ? -29.602 11.947 4.130 1.00 68.46 ? 214 LEU c O 1 +ATOM 33974 C CB . LEU U 3 196 ? -31.335 11.908 6.380 1.00 77.52 ? 214 LEU c CB 1 +ATOM 33975 C CG . LEU U 3 196 ? -31.877 11.436 7.738 1.00 92.49 ? 214 LEU c CG 1 +ATOM 33976 C CD1 . LEU U 3 196 ? -33.223 10.737 7.580 1.00 79.64 ? 214 LEU c CD1 1 +ATOM 33977 C CD2 . LEU U 3 196 ? -30.885 10.524 8.449 1.00 80.53 ? 214 LEU c CD2 1 +ATOM 33978 N N . LYS U 3 197 ? -29.009 14.027 4.676 1.00 67.49 ? 215 LYS c N 1 +ATOM 33979 C CA . LYS U 3 197 ? -28.591 14.367 3.327 1.00 72.51 ? 215 LYS c CA 1 +ATOM 33980 C C . LYS U 3 197 ? -27.120 13.999 3.120 1.00 64.21 ? 215 LYS c C 1 +ATOM 33981 O O . LYS U 3 197 ? -26.293 14.154 4.020 1.00 67.40 ? 215 LYS c O 1 +ATOM 33982 C CB . LYS U 3 197 ? -28.847 15.855 3.096 1.00 59.17 ? 215 LYS c CB 1 +ATOM 33983 C CG . LYS U 3 197 ? -27.955 16.534 2.119 1.00 77.40 ? 215 LYS c CG 1 +ATOM 33984 C CD . LYS U 3 197 ? -28.191 18.036 2.183 1.00 77.03 ? 215 LYS c CD 1 +ATOM 33985 C CE . LYS U 3 197 ? -29.640 18.388 1.902 1.00 82.10 ? 215 LYS c CE 1 +ATOM 33986 N NZ . LYS U 3 197 ? -29.769 19.805 1.431 1.00 78.52 ? 215 LYS c NZ 1 +ATOM 33987 N N . SER U 3 198 ? -26.811 13.469 1.940 1.00 69.18 ? 216 SER c N 1 +ATOM 33988 C CA . SER U 3 198 ? -25.454 13.058 1.606 1.00 59.58 ? 216 SER c CA 1 +ATOM 33989 C C . SER U 3 198 ? -24.466 14.207 1.797 1.00 59.36 ? 216 SER c C 1 +ATOM 33990 O O . SER U 3 198 ? -24.790 15.377 1.562 1.00 55.48 ? 216 SER c O 1 +ATOM 33991 C CB . SER U 3 198 ? -25.395 12.573 0.159 1.00 73.18 ? 216 SER c CB 1 +ATOM 33992 O OG . SER U 3 198 ? -24.065 12.552 -0.326 1.00 59.08 ? 216 SER c OG 1 +ATOM 33993 N N A PRO U 3 199 ? -23.249 13.908 2.250 0.40 59.58 ? 217 PRO c N 1 +ATOM 33994 N N B PRO U 3 199 ? -23.243 13.902 2.232 0.60 59.68 ? 217 PRO c N 1 +ATOM 33995 C CA A PRO U 3 199 ? -22.228 14.959 2.337 0.40 57.01 ? 217 PRO c CA 1 +ATOM 33996 C CA B PRO U 3 199 ? -22.200 14.930 2.358 0.60 57.00 ? 217 PRO c CA 1 +ATOM 33997 C C A PRO U 3 199 ? -21.499 15.237 1.027 0.40 55.93 ? 217 PRO c C 1 +ATOM 33998 C C B PRO U 3 199 ? -21.448 15.248 1.071 0.60 55.93 ? 217 PRO c C 1 +ATOM 33999 O O A PRO U 3 199 ? -20.547 16.023 1.024 0.40 57.10 ? 217 PRO c O 1 +ATOM 34000 O O B PRO U 3 199 ? -20.506 16.045 1.110 0.60 57.28 ? 217 PRO c O 1 +ATOM 34001 C CB A PRO U 3 199 ? -21.254 14.385 3.373 0.40 55.24 ? 217 PRO c CB 1 +ATOM 34002 C CB B PRO U 3 199 ? -21.245 14.301 3.383 0.60 55.09 ? 217 PRO c CB 1 +ATOM 34003 C CG A PRO U 3 199 ? -21.284 12.924 3.077 0.40 60.58 ? 217 PRO c CG 1 +ATOM 34004 C CG B PRO U 3 199 ? -21.346 12.835 3.087 0.60 60.54 ? 217 PRO c CG 1 +ATOM 34005 C CD A PRO U 3 199 ? -22.731 12.608 2.715 0.40 57.08 ? 217 PRO c CD 1 +ATOM 34006 C CD B PRO U 3 199 ? -22.792 12.593 2.739 0.60 57.01 ? 217 PRO c CD 1 +ATOM 34007 N N A PHE U 3 200 ? -21.883 14.614 -0.077 0.40 51.07 ? 218 PHE c N 1 +ATOM 34008 N N B PHE U 3 200 ? -21.822 14.668 -0.066 0.60 50.92 ? 218 PHE c N 1 +ATOM 34009 C CA A PHE U 3 200 ? -21.134 14.780 -1.313 0.40 54.36 ? 218 PHE c CA 1 +ATOM 34010 C CA B PHE U 3 200 ? -21.063 14.841 -1.294 0.60 54.29 ? 218 PHE c CA 1 +ATOM 34011 C C A PHE U 3 200 ? -21.691 15.941 -2.136 0.40 60.46 ? 218 PHE c C 1 +ATOM 34012 C C B PHE U 3 200 ? -21.621 15.999 -2.124 0.60 60.74 ? 218 PHE c C 1 +ATOM 34013 O O A PHE U 3 200 ? -22.634 16.629 -1.721 0.40 52.83 ? 218 PHE c O 1 +ATOM 34014 O O B PHE U 3 200 ? -22.554 16.699 -1.715 0.60 52.95 ? 218 PHE c O 1 +ATOM 34015 C CB A PHE U 3 200 ? -21.113 13.463 -2.084 0.40 51.11 ? 218 PHE c CB 1 +ATOM 34016 C CB B PHE U 3 200 ? -21.043 13.531 -2.076 0.60 50.99 ? 218 PHE c CB 1 +ATOM 34017 C CG A PHE U 3 200 ? -20.236 12.445 -1.454 0.40 58.64 ? 218 PHE c CG 1 +ATOM 34018 C CG B PHE U 3 200 ? -20.204 12.477 -1.433 0.60 58.76 ? 218 PHE c CG 1 +ATOM 34019 C CD1 A PHE U 3 200 ? -18.880 12.418 -1.741 0.40 51.65 ? 218 PHE c CD1 1 +ATOM 34020 C CD1 B PHE U 3 200 ? -18.832 12.449 -1.638 0.60 51.51 ? 218 PHE c CD1 1 +ATOM 34021 C CD2 A PHE U 3 200 ? -20.753 11.535 -0.532 0.40 59.56 ? 218 PHE c CD2 1 +ATOM 34022 C CD2 B PHE U 3 200 ? -20.778 11.537 -0.589 0.60 59.59 ? 218 PHE c CD2 1 +ATOM 34023 C CE1 A PHE U 3 200 ? -18.055 11.480 -1.142 0.40 55.88 ? 218 PHE c CE1 1 +ATOM 34024 C CE1 B PHE U 3 200 ? -18.051 11.486 -1.026 0.60 55.86 ? 218 PHE c CE1 1 +ATOM 34025 C CE2 A PHE U 3 200 ? -19.932 10.600 0.077 0.40 62.59 ? 218 PHE c CE2 1 +ATOM 34026 C CE2 B PHE U 3 200 ? -20.001 10.573 0.024 0.60 62.68 ? 218 PHE c CE2 1 +ATOM 34027 C CZ A PHE U 3 200 ? -18.580 10.575 -0.226 0.40 58.42 ? 218 PHE c CZ 1 +ATOM 34028 C CZ B PHE U 3 200 ? -18.637 10.547 -0.195 0.60 58.42 ? 218 PHE c CZ 1 +ATOM 34029 N N A GLY U 3 201 ? -21.072 16.170 -3.306 0.40 60.53 ? 219 GLY c N 1 +ATOM 34030 N N B GLY U 3 201 ? -21.036 16.188 -3.309 0.60 60.66 ? 219 GLY c N 1 +ATOM 34031 C CA A GLY U 3 201 ? -21.304 17.404 -4.045 0.40 54.79 ? 219 GLY c CA 1 +ATOM 34032 C CA B GLY U 3 201 ? -21.269 17.408 -4.067 0.60 54.73 ? 219 GLY c CA 1 +ATOM 34033 C C A GLY U 3 201 ? -22.748 17.555 -4.490 0.40 53.56 ? 219 GLY c C 1 +ATOM 34034 C C B GLY U 3 201 ? -22.722 17.556 -4.489 0.60 53.47 ? 219 GLY c C 1 +ATOM 34035 O O A GLY U 3 201 ? -23.446 16.583 -4.792 0.40 56.02 ? 219 GLY c O 1 +ATOM 34036 O O B GLY U 3 201 ? -23.406 16.578 -4.802 0.60 56.11 ? 219 GLY c O 1 +ATOM 34037 N N A GLY U 3 202 ? -23.208 18.798 -4.517 0.40 53.20 ? 220 GLY c N 1 +ATOM 34038 N N B GLY U 3 202 ? -23.194 18.802 -4.494 0.60 53.16 ? 220 GLY c N 1 +ATOM 34039 C CA A GLY U 3 202 ? -24.602 19.051 -4.805 0.40 58.03 ? 220 GLY c CA 1 +ATOM 34040 C CA B GLY U 3 202 ? -24.585 19.082 -4.786 0.60 58.09 ? 220 GLY c CA 1 +ATOM 34041 C C A GLY U 3 202 ? -25.567 18.697 -3.696 0.40 63.75 ? 220 GLY c C 1 +ATOM 34042 C C B GLY U 3 202 ? -25.561 18.702 -3.693 0.60 63.89 ? 220 GLY c C 1 +ATOM 34043 O O A GLY U 3 202 ? -26.767 18.951 -3.845 0.40 61.23 ? 220 GLY c O 1 +ATOM 34044 O O B GLY U 3 202 ? -26.768 18.896 -3.871 0.60 61.25 ? 220 GLY c O 1 +ATOM 34045 N N . GLU U 3 203 ? -25.084 18.161 -2.573 1.00 55.25 ? 221 GLU c N 1 +ATOM 34046 C CA . GLU U 3 203 ? -25.936 17.854 -1.431 1.00 54.90 ? 221 GLU c CA 1 +ATOM 34047 C C . GLU U 3 203 ? -25.386 18.537 -0.189 1.00 58.32 ? 221 GLU c C 1 +ATOM 34048 O O . GLU U 3 203 ? -26.025 19.436 0.360 1.00 65.07 ? 221 GLU c O 1 +ATOM 34049 C CB . GLU U 3 203 ? -26.034 16.345 -1.226 1.00 66.67 ? 221 GLU c CB 1 +ATOM 34050 C CG . GLU U 3 203 ? -26.516 15.582 -2.455 1.00 73.83 ? 221 GLU c CG 1 +ATOM 34051 C CD . GLU U 3 203 ? -28.028 15.570 -2.585 1.00 87.02 ? 221 GLU c CD 1 +ATOM 34052 O OE1 . GLU U 3 203 ? -28.716 16.030 -1.645 1.00 82.30 ? 221 GLU c OE1 1 +ATOM 34053 O OE2 . GLU U 3 203 ? -28.525 15.086 -3.629 1.00 98.14 ? 221 GLU c OE2 1 +ATOM 34054 N N . GLY U 3 204 ? -24.206 18.117 0.270 1.00 58.08 ? 222 GLY c N 1 +ATOM 34055 C CA . GLY U 3 204 ? -23.467 18.880 1.257 1.00 56.93 ? 222 GLY c CA 1 +ATOM 34056 C C . GLY U 3 204 ? -23.931 18.770 2.694 1.00 59.15 ? 222 GLY c C 1 +ATOM 34057 O O . GLY U 3 204 ? -23.435 19.525 3.535 1.00 61.40 ? 222 GLY c O 1 +ATOM 34058 N N . TRP U 3 205 ? -24.858 17.863 3.004 1.00 55.33 ? 223 TRP c N 1 +ATOM 34059 C CA . TRP U 3 205 ? -25.291 17.552 4.380 1.00 68.42 ? 223 TRP c CA 1 +ATOM 34060 C C . TRP U 3 205 ? -25.732 18.862 5.042 1.00 60.95 ? 223 TRP c C 1 +ATOM 34061 O O . TRP U 3 205 ? -26.476 19.630 4.421 1.00 62.38 ? 223 TRP c O 1 +ATOM 34062 C CB . TRP U 3 205 ? -24.178 16.771 5.093 1.00 56.74 ? 223 TRP c CB 1 +ATOM 34063 C CG . TRP U 3 205 ? -24.554 16.167 6.444 1.00 61.67 ? 223 TRP c CG 1 +ATOM 34064 C CD1 . TRP U 3 205 ? -25.625 15.353 6.717 1.00 62.02 ? 223 TRP c CD1 1 +ATOM 34065 C CD2 . TRP U 3 205 ? -23.836 16.307 7.681 1.00 60.80 ? 223 TRP c CD2 1 +ATOM 34066 N NE1 . TRP U 3 205 ? -25.624 14.996 8.049 1.00 63.83 ? 223 TRP c NE1 1 +ATOM 34067 C CE2 . TRP U 3 205 ? -24.536 15.561 8.660 1.00 60.39 ? 223 TRP c CE2 1 +ATOM 34068 C CE3 . TRP U 3 205 ? -22.677 17.003 8.058 1.00 58.09 ? 223 TRP c CE3 1 +ATOM 34069 C CZ2 . TRP U 3 205 ? -24.115 15.490 9.996 1.00 63.62 ? 223 TRP c CZ2 1 +ATOM 34070 C CZ3 . TRP U 3 205 ? -22.255 16.928 9.386 1.00 70.58 ? 223 TRP c CZ3 1 +ATOM 34071 C CH2 . TRP U 3 205 ? -22.977 16.176 10.340 1.00 65.32 ? 223 TRP c CH2 1 +ATOM 34072 N N . ILE U 3 206 ? -25.306 19.161 6.271 1.00 58.38 ? 224 ILE c N 1 +ATOM 34073 C CA . ILE U 3 206 ? -25.821 20.348 6.951 1.00 62.87 ? 224 ILE c CA 1 +ATOM 34074 C C . ILE U 3 206 ? -25.127 21.614 6.471 1.00 58.60 ? 224 ILE c C 1 +ATOM 34075 O O . ILE U 3 206 ? -25.660 22.713 6.663 1.00 61.88 ? 224 ILE c O 1 +ATOM 34076 C CB . ILE U 3 206 ? -25.703 20.217 8.486 1.00 57.79 ? 224 ILE c CB 1 +ATOM 34077 C CG1 . ILE U 3 206 ? -24.240 20.312 8.933 1.00 57.12 ? 224 ILE c CG1 1 +ATOM 34078 C CG2 . ILE U 3 206 ? -26.329 18.908 8.980 1.00 55.20 ? 224 ILE c CG2 1 +ATOM 34079 C CD1 . ILE U 3 206 ? -24.029 20.117 10.444 1.00 57.90 ? 224 ILE c CD1 1 +ATOM 34080 N N . VAL U 3 207 ? -23.955 21.495 5.839 1.00 64.63 ? 225 VAL c N 1 +ATOM 34081 C CA . VAL U 3 207 ? -23.260 22.650 5.283 1.00 55.53 ? 225 VAL c CA 1 +ATOM 34082 C C . VAL U 3 207 ? -24.075 23.335 4.188 1.00 60.38 ? 225 VAL c C 1 +ATOM 34083 O O . VAL U 3 207 ? -23.807 24.493 3.855 1.00 56.78 ? 225 VAL c O 1 +ATOM 34084 C CB . VAL U 3 207 ? -21.861 22.208 4.774 1.00 58.87 ? 225 VAL c CB 1 +ATOM 34085 C CG1 . VAL U 3 207 ? -21.019 23.375 4.284 1.00 54.40 ? 225 VAL c CG1 1 +ATOM 34086 C CG2 . VAL U 3 207 ? -21.102 21.457 5.877 1.00 61.23 ? 225 VAL c CG2 1 +ATOM 34087 N N . SER U 3 208 ? -25.106 22.664 3.663 1.00 50.83 ? 226 SER c N 1 +ATOM 34088 C CA . SER U 3 208 ? -25.939 23.218 2.603 1.00 56.27 ? 226 SER c CA 1 +ATOM 34089 C C . SER U 3 208 ? -27.019 24.183 3.086 1.00 68.56 ? 226 SER c C 1 +ATOM 34090 O O . SER U 3 208 ? -27.732 24.736 2.241 1.00 69.92 ? 226 SER c O 1 +ATOM 34091 C CB . SER U 3 208 ? -26.607 22.089 1.810 1.00 55.13 ? 226 SER c CB 1 +ATOM 34092 O OG . SER U 3 208 ? -27.593 21.432 2.578 1.00 61.20 ? 226 SER c OG 1 +ATOM 34093 N N . VAL U 3 209 ? -27.171 24.405 4.395 1.00 64.26 ? 227 VAL c N 1 +ATOM 34094 C CA . VAL U 3 209 ? -28.282 25.218 4.874 1.00 62.61 ? 227 VAL c CA 1 +ATOM 34095 C C . VAL U 3 209 ? -28.145 26.621 4.301 1.00 60.86 ? 227 VAL c C 1 +ATOM 34096 O O . VAL U 3 209 ? -27.096 27.268 4.425 1.00 61.03 ? 227 VAL c O 1 +ATOM 34097 C CB . VAL U 3 209 ? -28.346 25.206 6.416 1.00 68.69 ? 227 VAL c CB 1 +ATOM 34098 C CG1 . VAL U 3 209 ? -27.019 25.660 7.041 1.00 53.29 ? 227 VAL c CG1 1 +ATOM 34099 C CG2 . VAL U 3 209 ? -29.498 26.074 6.912 1.00 59.73 ? 227 VAL c CG2 1 +ATOM 34100 N N . ASN U 3 210 ? -29.199 27.085 3.628 1.00 55.92 ? 228 ASN c N 1 +ATOM 34101 C CA . ASN U 3 210 ? -29.077 28.251 2.760 1.00 65.68 ? 228 ASN c CA 1 +ATOM 34102 C C . ASN U 3 210 ? -30.109 29.345 3.025 1.00 65.46 ? 228 ASN c C 1 +ATOM 34103 O O . ASN U 3 210 ? -30.253 30.246 2.198 1.00 69.10 ? 228 ASN c O 1 +ATOM 34104 C CB . ASN U 3 210 ? -29.131 27.818 1.282 1.00 56.67 ? 228 ASN c CB 1 +ATOM 34105 C CG . ASN U 3 210 ? -30.439 27.154 0.904 1.00 58.47 ? 228 ASN c CG 1 +ATOM 34106 O OD1 . ASN U 3 210 ? -31.254 26.816 1.754 1.00 72.27 ? 228 ASN c OD1 1 +ATOM 34107 N ND2 . ASN U 3 210 ? -30.629 26.933 -0.377 1.00 69.15 ? 228 ASN c ND2 1 +ATOM 34108 N N . ASN U 3 211 ? -30.817 29.307 4.148 1.00 66.41 ? 229 ASN c N 1 +ATOM 34109 C CA . ASN U 3 211 ? -31.720 30.392 4.515 1.00 70.15 ? 229 ASN c CA 1 +ATOM 34110 C C . ASN U 3 211 ? -31.821 30.474 6.037 1.00 63.64 ? 229 ASN c C 1 +ATOM 34111 O O . ASN U 3 211 ? -31.629 29.476 6.740 1.00 62.85 ? 229 ASN c O 1 +ATOM 34112 C CB . ASN U 3 211 ? -33.102 30.175 3.899 1.00 53.01 ? 229 ASN c CB 1 +ATOM 34113 C CG . ASN U 3 211 ? -33.742 28.928 4.400 1.00 63.28 ? 229 ASN c CG 1 +ATOM 34114 O OD1 . ASN U 3 211 ? -34.417 28.940 5.423 1.00 76.93 ? 229 ASN c OD1 1 +ATOM 34115 N ND2 . ASN U 3 211 ? -33.501 27.817 3.711 1.00 69.28 ? 229 ASN c ND2 1 +ATOM 34116 N N . LEU U 3 212 ? -32.139 31.673 6.543 1.00 72.50 ? 230 LEU c N 1 +ATOM 34117 C CA . LEU U 3 212 ? -32.113 31.899 7.987 1.00 62.23 ? 230 LEU c CA 1 +ATOM 34118 C C . LEU U 3 212 ? -33.296 31.251 8.697 1.00 70.16 ? 230 LEU c C 1 +ATOM 34119 O O . LEU U 3 212 ? -33.170 30.872 9.865 1.00 72.57 ? 230 LEU c O 1 +ATOM 34120 C CB . LEU U 3 212 ? -32.064 33.393 8.277 1.00 74.83 ? 230 LEU c CB 1 +ATOM 34121 C CG . LEU U 3 212 ? -30.792 34.085 7.784 1.00 64.16 ? 230 LEU c CG 1 +ATOM 34122 C CD1 . LEU U 3 212 ? -30.808 35.566 8.086 1.00 67.06 ? 230 LEU c CD1 1 +ATOM 34123 C CD2 . LEU U 3 212 ? -29.588 33.434 8.417 1.00 74.66 ? 230 LEU c CD2 1 +ATOM 34124 N N . GLU U 3 213 ? -34.438 31.099 8.015 1.00 64.24 ? 231 GLU c N 1 +ATOM 34125 C CA . GLU U 3 213 ? -35.579 30.404 8.605 1.00 64.02 ? 231 GLU c CA 1 +ATOM 34126 C C . GLU U 3 213 ? -35.210 28.990 9.038 1.00 79.61 ? 231 GLU c C 1 +ATOM 34127 O O . GLU U 3 213 ? -35.620 28.534 10.120 1.00 69.37 ? 231 GLU c O 1 +ATOM 34128 C CB . GLU U 3 213 ? -36.751 30.360 7.618 1.00 65.97 ? 231 GLU c CB 1 +ATOM 34129 C CG . GLU U 3 213 ? -37.510 31.678 7.479 1.00 68.01 ? 231 GLU c CG 1 +ATOM 34130 C CD . GLU U 3 213 ? -36.734 32.717 6.692 1.00 72.13 ? 231 GLU c CD 1 +ATOM 34131 O OE1 . GLU U 3 213 ? -35.803 32.334 5.955 1.00 93.34 ? 231 GLU c OE1 1 +ATOM 34132 O OE2 . GLU U 3 213 ? -37.044 33.918 6.811 1.00 91.65 ? 231 GLU c OE2 1 +ATOM 34133 N N . ASP U 3 214 ? -34.453 28.271 8.196 1.00 70.81 ? 232 ASP c N 1 +ATOM 34134 C CA . ASP U 3 214 ? -33.983 26.934 8.562 1.00 60.64 ? 232 ASP c CA 1 +ATOM 34135 C C . ASP U 3 214 ? -32.975 26.995 9.707 1.00 56.97 ? 232 ASP c C 1 +ATOM 34136 O O . ASP U 3 214 ? -33.026 26.171 10.626 1.00 63.55 ? 232 ASP c O 1 +ATOM 34137 C CB . ASP U 3 214 ? -33.373 26.246 7.341 1.00 68.45 ? 232 ASP c CB 1 +ATOM 34138 C CG . ASP U 3 214 ? -34.430 25.769 6.339 1.00 90.16 ? 232 ASP c CG 1 +ATOM 34139 O OD1 . ASP U 3 214 ? -35.635 25.751 6.700 1.00 70.63 ? 232 ASP c OD1 1 +ATOM 34140 O OD2 . ASP U 3 214 ? -34.056 25.400 5.194 1.00 73.38 ? 232 ASP c OD2 1 +ATOM 34141 N N . VAL U 3 215 ? -32.052 27.963 9.668 1.00 61.32 ? 233 VAL c N 1 +ATOM 34142 C CA . VAL U 3 215 ? -31.075 28.125 10.742 1.00 61.25 ? 233 VAL c CA 1 +ATOM 34143 C C . VAL U 3 215 ? -31.778 28.377 12.072 1.00 73.45 ? 233 VAL c C 1 +ATOM 34144 O O . VAL U 3 215 ? -31.536 27.680 13.066 1.00 71.80 ? 233 VAL c O 1 +ATOM 34145 C CB . VAL U 3 215 ? -30.100 29.272 10.407 1.00 66.56 ? 233 VAL c CB 1 +ATOM 34146 C CG1 . VAL U 3 215 ? -29.242 29.649 11.643 1.00 63.33 ? 233 VAL c CG1 1 +ATOM 34147 C CG2 . VAL U 3 215 ? -29.226 28.918 9.200 1.00 62.35 ? 233 VAL c CG2 1 +ATOM 34148 N N . VAL U 3 216 ? -32.648 29.391 12.110 1.00 65.65 ? 234 VAL c N 1 +ATOM 34149 C CA . VAL U 3 216 ? -33.355 29.732 13.340 1.00 66.17 ? 234 VAL c CA 1 +ATOM 34150 C C . VAL U 3 216 ? -34.154 28.539 13.837 1.00 69.56 ? 234 VAL c C 1 +ATOM 34151 O O . VAL U 3 216 ? -34.061 28.144 15.007 1.00 64.90 ? 234 VAL c O 1 +ATOM 34152 C CB . VAL U 3 216 ? -34.268 30.949 13.119 1.00 68.33 ? 234 VAL c CB 1 +ATOM 34153 C CG1 . VAL U 3 216 ? -35.136 31.186 14.358 1.00 71.94 ? 234 VAL c CG1 1 +ATOM 34154 C CG2 . VAL U 3 216 ? -33.445 32.174 12.798 1.00 61.72 ? 234 VAL c CG2 1 +ATOM 34155 N N . GLY U 3 217 ? -34.952 27.948 12.952 1.00 62.81 ? 235 GLY c N 1 +ATOM 34156 C CA . GLY U 3 217 ? -35.778 26.830 13.363 1.00 68.75 ? 235 GLY c CA 1 +ATOM 34157 C C . GLY U 3 217 ? -34.971 25.633 13.814 1.00 72.95 ? 235 GLY c C 1 +ATOM 34158 O O . GLY U 3 217 ? -35.442 24.830 14.626 1.00 75.09 ? 235 GLY c O 1 +ATOM 34159 N N . GLY U 3 218 ? -33.750 25.487 13.289 1.00 73.82 ? 236 GLY c N 1 +ATOM 34160 C CA . GLY U 3 218 ? -32.900 24.394 13.726 1.00 67.99 ? 236 GLY c CA 1 +ATOM 34161 C C . GLY U 3 218 ? -32.398 24.583 15.144 1.00 75.44 ? 236 GLY c C 1 +ATOM 34162 O O . GLY U 3 218 ? -32.248 23.606 15.885 1.00 61.73 ? 236 GLY c O 1 +ATOM 34163 N N . HIS U 3 219 ? -32.129 25.836 15.539 1.00 69.95 ? 237 HIS c N 1 +ATOM 34164 C CA . HIS U 3 219 ? -31.695 26.134 16.899 1.00 78.35 ? 237 HIS c CA 1 +ATOM 34165 C C . HIS U 3 219 ? -32.841 26.081 17.910 1.00 84.03 ? 237 HIS c C 1 +ATOM 34166 O O . HIS U 3 219 ? -32.591 25.859 19.102 1.00 77.70 ? 237 HIS c O 1 +ATOM 34167 C CB . HIS U 3 219 ? -31.006 27.497 16.944 1.00 62.54 ? 237 HIS c CB 1 +ATOM 34168 C CG . HIS U 3 219 ? -29.612 27.484 16.394 1.00 84.00 ? 237 HIS c CG 1 +ATOM 34169 N ND1 . HIS U 3 219 ? -29.335 27.651 15.052 1.00 61.91 ? 237 HIS c ND1 1 +ATOM 34170 C CD2 . HIS U 3 219 ? -28.414 27.316 17.006 1.00 72.13 ? 237 HIS c CD2 1 +ATOM 34171 C CE1 . HIS U 3 219 ? -28.028 27.595 14.864 1.00 59.86 ? 237 HIS c CE1 1 +ATOM 34172 N NE2 . HIS U 3 219 ? -27.445 27.393 16.032 1.00 60.52 ? 237 HIS c NE2 1 +ATOM 34173 N N . ILE U 3 220 ? -34.086 26.266 17.465 1.00 71.29 ? 238 ILE c N 1 +ATOM 34174 C CA . ILE U 3 220 ? -35.221 26.002 18.339 1.00 64.15 ? 238 ILE c CA 1 +ATOM 34175 C C . ILE U 3 220 ? -35.281 24.520 18.681 1.00 75.00 ? 238 ILE c C 1 +ATOM 34176 O O . ILE U 3 220 ? -35.496 24.139 19.841 1.00 67.76 ? 238 ILE c O 1 +ATOM 34177 C CB . ILE U 3 220 ? -36.520 26.502 17.683 1.00 64.60 ? 238 ILE c CB 1 +ATOM 34178 C CG1 . ILE U 3 220 ? -36.532 28.033 17.642 1.00 61.63 ? 238 ILE c CG1 1 +ATOM 34179 C CG2 . ILE U 3 220 ? -37.733 25.960 18.395 1.00 69.96 ? 238 ILE c CG2 1 +ATOM 34180 C CD1 . ILE U 3 220 ? -37.559 28.608 16.696 1.00 68.26 ? 238 ILE c CD1 1 +ATOM 34181 N N . TRP U 3 221 ? -35.060 23.657 17.689 1.00 71.65 ? 239 TRP c N 1 +ATOM 34182 C CA . TRP U 3 221 ? -35.066 22.220 17.961 1.00 83.22 ? 239 TRP c CA 1 +ATOM 34183 C C . TRP U 3 221 ? -33.896 21.812 18.848 1.00 66.50 ? 239 TRP c C 1 +ATOM 34184 O O . TRP U 3 221 ? -34.070 21.039 19.795 1.00 74.25 ? 239 TRP c O 1 +ATOM 34185 C CB . TRP U 3 221 ? -35.032 21.435 16.657 1.00 70.98 ? 239 TRP c CB 1 +ATOM 34186 C CG . TRP U 3 221 ? -36.368 21.194 16.073 1.00 75.59 ? 239 TRP c CG 1 +ATOM 34187 C CD1 . TRP U 3 221 ? -36.971 21.908 15.080 1.00 77.64 ? 239 TRP c CD1 1 +ATOM 34188 C CD2 . TRP U 3 221 ? -37.276 20.155 16.429 1.00 70.47 ? 239 TRP c CD2 1 +ATOM 34189 N NE1 . TRP U 3 221 ? -38.202 21.375 14.793 1.00 78.09 ? 239 TRP c NE1 1 +ATOM 34190 C CE2 . TRP U 3 221 ? -38.413 20.295 15.607 1.00 75.16 ? 239 TRP c CE2 1 +ATOM 34191 C CE3 . TRP U 3 221 ? -37.239 19.113 17.360 1.00 88.64 ? 239 TRP c CE3 1 +ATOM 34192 C CZ2 . TRP U 3 221 ? -39.503 19.442 15.692 1.00 79.83 ? 239 TRP c CZ2 1 +ATOM 34193 C CZ3 . TRP U 3 221 ? -38.323 18.253 17.435 1.00 78.83 ? 239 TRP c CZ3 1 +ATOM 34194 C CH2 . TRP U 3 221 ? -39.442 18.427 16.609 1.00 94.68 ? 239 TRP c CH2 1 +ATOM 34195 N N . ILE U 3 222 ? -32.697 22.316 18.550 1.00 71.18 ? 240 ILE c N 1 +ATOM 34196 C CA . ILE U 3 222 ? -31.517 21.941 19.325 1.00 80.96 ? 240 ILE c CA 1 +ATOM 34197 C C . ILE U 3 222 ? -31.685 22.367 20.775 1.00 72.02 ? 240 ILE c C 1 +ATOM 34198 O O . ILE U 3 222 ? -31.419 21.590 21.701 1.00 72.16 ? 240 ILE c O 1 +ATOM 34199 C CB . ILE U 3 222 ? -30.239 22.536 18.697 1.00 78.96 ? 240 ILE c CB 1 +ATOM 34200 C CG1 . ILE U 3 222 ? -29.739 21.634 17.575 1.00 73.20 ? 240 ILE c CG1 1 +ATOM 34201 C CG2 . ILE U 3 222 ? -29.136 22.691 19.718 1.00 79.23 ? 240 ILE c CG2 1 +ATOM 34202 C CD1 . ILE U 3 222 ? -29.696 20.162 17.961 1.00 83.28 ? 240 ILE c CD1 1 +ATOM 34203 N N . GLY U 3 223 ? -32.154 23.601 20.988 1.00 71.71 ? 241 GLY c N 1 +ATOM 34204 C CA . GLY U 3 223 ? -32.357 24.089 22.346 1.00 77.12 ? 241 GLY c CA 1 +ATOM 34205 C C . GLY U 3 223 ? -33.305 23.222 23.153 1.00 69.74 ? 241 GLY c C 1 +ATOM 34206 O O . GLY U 3 223 ? -33.016 22.876 24.301 1.00 69.72 ? 241 GLY c O 1 +ATOM 34207 N N . LEU U 3 224 ? -34.435 22.830 22.552 1.00 69.84 ? 242 LEU c N 1 +ATOM 34208 C CA . LEU U 3 224 ? -35.390 21.970 23.246 1.00 73.02 ? 242 LEU c CA 1 +ATOM 34209 C C . LEU U 3 224 ? -34.840 20.561 23.448 1.00 75.41 ? 242 LEU c C 1 +ATOM 34210 O O . LEU U 3 224 ? -35.057 19.953 24.505 1.00 74.50 ? 242 LEU c O 1 +ATOM 34211 C CB . LEU U 3 224 ? -36.708 21.929 22.473 1.00 71.54 ? 242 LEU c CB 1 +ATOM 34212 C CG . LEU U 3 224 ? -37.316 23.325 22.302 1.00 90.92 ? 242 LEU c CG 1 +ATOM 34213 C CD1 . LEU U 3 224 ? -38.676 23.264 21.620 1.00 92.07 ? 242 LEU c CD1 1 +ATOM 34214 C CD2 . LEU U 3 224 ? -37.407 24.051 23.636 1.00 71.65 ? 242 LEU c CD2 1 +ATOM 34215 N N . ILE U 3 225 ? -34.137 20.015 22.449 1.00 69.14 ? 243 ILE c N 1 +ATOM 34216 C CA . ILE U 3 225 ? -33.541 18.693 22.628 1.00 64.91 ? 243 ILE c CA 1 +ATOM 34217 C C . ILE U 3 225 ? -32.514 18.714 23.756 1.00 62.61 ? 243 ILE c C 1 +ATOM 34218 O O . ILE U 3 225 ? -32.425 17.760 24.537 1.00 71.65 ? 243 ILE c O 1 +ATOM 34219 C CB . ILE U 3 225 ? -32.944 18.182 21.300 1.00 74.99 ? 243 ILE c CB 1 +ATOM 34220 C CG1 . ILE U 3 225 ? -34.061 17.941 20.280 1.00 74.30 ? 243 ILE c CG1 1 +ATOM 34221 C CG2 . ILE U 3 225 ? -32.156 16.878 21.503 1.00 59.59 ? 243 ILE c CG2 1 +ATOM 34222 C CD1 . ILE U 3 225 ? -33.558 17.721 18.866 1.00 81.82 ? 243 ILE c CD1 1 +ATOM 34223 N N . CYS U 3 226 ? -31.768 19.808 23.896 1.00 61.34 ? 244 CYS c N 1 +ATOM 34224 C CA . CYS U 3 226 ? -30.727 19.897 24.912 1.00 68.13 ? 244 CYS c CA 1 +ATOM 34225 C C . CYS U 3 226 ? -31.290 20.060 26.326 1.00 86.76 ? 244 CYS c C 1 +ATOM 34226 O O . CYS U 3 226 ? -30.791 19.416 27.260 1.00 79.03 ? 244 CYS c O 1 +ATOM 34227 C CB . CYS U 3 226 ? -29.774 21.049 24.588 1.00 70.74 ? 244 CYS c CB 1 +ATOM 34228 S SG . CYS U 3 226 ? -28.552 20.681 23.313 1.00 79.93 ? 244 CYS c SG 1 +ATOM 34229 N N A ILE U 3 227 ? -32.310 20.917 26.523 0.50 77.42 ? 245 ILE c N 1 +ATOM 34230 N N B ILE U 3 227 ? -32.292 20.926 26.504 0.50 77.42 ? 245 ILE c N 1 +ATOM 34231 C CA A ILE U 3 227 ? -32.912 21.046 27.850 0.50 76.03 ? 245 ILE c CA 1 +ATOM 34232 C CA B ILE U 3 227 ? -32.930 21.051 27.811 0.50 76.02 ? 245 ILE c CA 1 +ATOM 34233 C C A ILE U 3 227 ? -33.625 19.756 28.238 0.50 77.69 ? 245 ILE c C 1 +ATOM 34234 C C B ILE U 3 227 ? -33.571 19.731 28.213 0.50 77.66 ? 245 ILE c C 1 +ATOM 34235 O O A ILE U 3 227 ? -33.580 19.332 29.397 0.50 84.01 ? 245 ILE c O 1 +ATOM 34236 O O B ILE U 3 227 ? -33.445 19.285 29.360 0.50 83.70 ? 245 ILE c O 1 +ATOM 34237 C CB A ILE U 3 227 ? -33.852 22.269 27.917 0.50 78.24 ? 245 ILE c CB 1 +ATOM 34238 C CB B ILE U 3 227 ? -33.953 22.203 27.800 0.50 78.06 ? 245 ILE c CB 1 +ATOM 34239 C CG1 A ILE U 3 227 ? -35.048 22.123 26.969 0.50 74.34 ? 245 ILE c CG1 1 +ATOM 34240 C CG1 B ILE U 3 227 ? -33.262 23.518 27.430 0.50 68.64 ? 245 ILE c CG1 1 +ATOM 34241 C CG2 A ILE U 3 227 ? -33.082 23.556 27.626 0.50 69.23 ? 245 ILE c CG2 1 +ATOM 34242 C CG2 B ILE U 3 227 ? -34.652 22.310 29.155 0.50 60.83 ? 245 ILE c CG2 1 +ATOM 34243 C CD1 A ILE U 3 227 ? -36.315 21.582 27.631 0.50 72.26 ? 245 ILE c CD1 1 +ATOM 34244 C CD1 B ILE U 3 227 ? -34.208 24.621 27.030 0.50 65.47 ? 245 ILE c CD1 1 +ATOM 34245 N N . ALA U 3 228 ? -34.243 19.071 27.271 1.00 69.29 ? 246 ALA c N 1 +ATOM 34246 C CA . ALA U 3 228 ? -34.915 17.817 27.588 1.00 65.06 ? 246 ALA c CA 1 +ATOM 34247 C C . ALA U 3 228 ? -33.907 16.719 27.900 1.00 87.72 ? 246 ALA c C 1 +ATOM 34248 O O . ALA U 3 228 ? -34.110 15.924 28.830 1.00 79.72 ? 246 ALA c O 1 +ATOM 34249 C CB . ALA U 3 228 ? -35.829 17.398 26.432 1.00 63.96 ? 246 ALA c CB 1 +ATOM 34250 N N . GLY U 3 229 ? -32.815 16.653 27.132 1.00 76.28 ? 247 GLY c N 1 +ATOM 34251 C CA . GLY U 3 229 ? -31.780 15.682 27.433 1.00 71.63 ? 247 GLY c CA 1 +ATOM 34252 C C . GLY U 3 229 ? -31.062 15.984 28.731 1.00 66.90 ? 247 GLY c C 1 +ATOM 34253 O O . GLY U 3 229 ? -30.660 15.062 29.444 1.00 71.41 ? 247 GLY c O 1 +ATOM 34254 N N . GLY U 3 230 ? -30.885 17.271 29.053 1.00 68.55 ? 248 GLY c N 1 +ATOM 34255 C CA . GLY U 3 230 ? -30.316 17.625 30.346 1.00 79.44 ? 248 GLY c CA 1 +ATOM 34256 C C . GLY U 3 230 ? -31.178 17.156 31.506 1.00 86.71 ? 248 GLY c C 1 +ATOM 34257 O O . GLY U 3 230 ? -30.670 16.628 32.499 1.00 76.40 ? 248 GLY c O 1 +ATOM 34258 N N . ILE U 3 231 ? -32.495 17.341 31.387 1.00 73.60 ? 249 ILE c N 1 +ATOM 34259 C CA . ILE U 3 231 ? -33.431 16.875 32.404 1.00 78.85 ? 249 ILE c CA 1 +ATOM 34260 C C . ILE U 3 231 ? -33.391 15.357 32.496 1.00 78.67 ? 249 ILE c C 1 +ATOM 34261 O O . ILE U 3 231 ? -33.335 14.779 33.589 1.00 76.50 ? 249 ILE c O 1 +ATOM 34262 C CB . ILE U 3 231 ? -34.848 17.386 32.083 1.00 80.97 ? 249 ILE c CB 1 +ATOM 34263 C CG1 . ILE U 3 231 ? -34.950 18.883 32.365 1.00 71.90 ? 249 ILE c CG1 1 +ATOM 34264 C CG2 . ILE U 3 231 ? -35.911 16.591 32.841 1.00 73.43 ? 249 ILE c CG2 1 +ATOM 34265 C CD1 . ILE U 3 231 ? -36.183 19.495 31.760 1.00 80.21 ? 249 ILE c CD1 1 +ATOM 34266 N N . TRP U 3 232 ? -33.421 14.695 31.342 1.00 77.48 ? 250 TRP c N 1 +ATOM 34267 C CA . TRP U 3 232 ? -33.272 13.247 31.288 1.00 69.41 ? 250 TRP c CA 1 +ATOM 34268 C C . TRP U 3 232 ? -32.032 12.779 32.040 1.00 69.21 ? 250 TRP c C 1 +ATOM 34269 O O . TRP U 3 232 ? -32.074 11.783 32.773 1.00 77.55 ? 250 TRP c O 1 +ATOM 34270 C CB . TRP U 3 232 ? -33.210 12.792 29.828 1.00 68.78 ? 250 TRP c CB 1 +ATOM 34271 C CG . TRP U 3 232 ? -32.747 11.376 29.662 1.00 74.90 ? 250 TRP c CG 1 +ATOM 34272 C CD1 . TRP U 3 232 ? -31.468 10.950 29.447 1.00 64.64 ? 250 TRP c CD1 1 +ATOM 34273 C CD2 . TRP U 3 232 ? -33.562 10.200 29.705 1.00 73.05 ? 250 TRP c CD2 1 +ATOM 34274 N NE1 . TRP U 3 232 ? -31.440 9.578 29.347 1.00 74.71 ? 250 TRP c NE1 1 +ATOM 34275 C CE2 . TRP U 3 232 ? -32.711 9.095 29.505 1.00 73.73 ? 250 TRP c CE2 1 +ATOM 34276 C CE3 . TRP U 3 232 ? -34.928 9.975 29.895 1.00 74.08 ? 250 TRP c CE3 1 +ATOM 34277 C CZ2 . TRP U 3 232 ? -33.181 7.788 29.491 1.00 78.01 ? 250 TRP c CZ2 1 +ATOM 34278 C CZ3 . TRP U 3 232 ? -35.394 8.680 29.880 1.00 67.89 ? 250 TRP c CZ3 1 +ATOM 34279 C CH2 . TRP U 3 232 ? -34.524 7.599 29.672 1.00 80.59 ? 250 TRP c CH2 1 +ATOM 34280 N N . HIS U 3 233 ? -30.913 13.473 31.866 1.00 72.09 ? 251 HIS c N 1 +ATOM 34281 C CA . HIS U 3 233 ? -29.678 12.960 32.438 1.00 82.80 ? 251 HIS c CA 1 +ATOM 34282 C C . HIS U 3 233 ? -29.519 13.304 33.912 1.00 78.94 ? 251 HIS c C 1 +ATOM 34283 O O . HIS U 3 233 ? -28.786 12.596 34.611 1.00 70.45 ? 251 HIS c O 1 +ATOM 34284 C CB . HIS U 3 233 ? -28.475 13.442 31.621 1.00 61.57 ? 251 HIS c CB 1 +ATOM 34285 C CG . HIS U 3 233 ? -28.173 12.554 30.452 1.00 76.29 ? 251 HIS c CG 1 +ATOM 34286 N ND1 . HIS U 3 233 ? -28.037 11.190 30.583 1.00 69.49 ? 251 HIS c ND1 1 +ATOM 34287 C CD2 . HIS U 3 233 ? -28.028 12.822 29.131 1.00 66.71 ? 251 HIS c CD2 1 +ATOM 34288 C CE1 . HIS U 3 233 ? -27.802 10.657 29.397 1.00 81.15 ? 251 HIS c CE1 1 +ATOM 34289 N NE2 . HIS U 3 233 ? -27.792 11.626 28.498 1.00 73.69 ? 251 HIS c NE2 1 +ATOM 34290 N N . ILE U 3 234 ? -30.179 14.364 34.393 1.00 70.99 ? 252 ILE c N 1 +ATOM 34291 C CA . ILE U 3 234 ? -30.249 14.608 35.829 1.00 65.09 ? 252 ILE c CA 1 +ATOM 34292 C C . ILE U 3 234 ? -31.111 13.548 36.505 1.00 74.43 ? 252 ILE c C 1 +ATOM 34293 O O . ILE U 3 234 ? -30.744 12.998 37.548 1.00 79.77 ? 252 ILE c O 1 +ATOM 34294 C CB . ILE U 3 234 ? -30.786 16.020 36.106 1.00 75.08 ? 252 ILE c CB 1 +ATOM 34295 C CG1 . ILE U 3 234 ? -29.739 17.073 35.745 1.00 66.17 ? 252 ILE c CG1 1 +ATOM 34296 C CG2 . ILE U 3 234 ? -31.193 16.149 37.577 1.00 79.12 ? 252 ILE c CG2 1 +ATOM 34297 C CD1 . ILE U 3 234 ? -30.305 18.478 35.702 1.00 77.34 ? 252 ILE c CD1 1 +ATOM 34298 N N . LEU U 3 235 ? -32.248 13.210 35.900 1.00 77.58 ? 253 LEU c N 1 +ATOM 34299 C CA . LEU U 3 235 ? -33.217 12.322 36.527 1.00 67.96 ? 253 LEU c CA 1 +ATOM 34300 C C . LEU U 3 235 ? -32.911 10.844 36.359 1.00 77.15 ? 253 LEU c C 1 +ATOM 34301 O O . LEU U 3 235 ? -33.533 10.037 37.052 1.00 77.76 ? 253 LEU c O 1 +ATOM 34302 C CB . LEU U 3 235 ? -34.618 12.595 35.973 1.00 78.38 ? 253 LEU c CB 1 +ATOM 34303 C CG . LEU U 3 235 ? -35.183 13.960 36.370 1.00 76.47 ? 253 LEU c CG 1 +ATOM 34304 C CD1 . LEU U 3 235 ? -36.597 14.115 35.862 1.00 83.66 ? 253 LEU c CD1 1 +ATOM 34305 C CD2 . LEU U 3 235 ? -35.128 14.112 37.867 1.00 68.77 ? 253 LEU c CD2 1 +ATOM 34306 N N . THR U 3 236 ? -32.016 10.448 35.461 1.00 79.52 ? 254 THR c N 1 +ATOM 34307 C CA . THR U 3 236 ? -31.775 9.023 35.250 1.00 69.36 ? 254 THR c CA 1 +ATOM 34308 C C . THR U 3 236 ? -30.331 8.675 35.590 1.00 69.71 ? 254 THR c C 1 +ATOM 34309 O O . THR U 3 236 ? -29.529 9.524 35.995 1.00 65.42 ? 254 THR c O 1 +ATOM 34310 C CB . THR U 3 236 ? -32.082 8.599 33.809 1.00 75.56 ? 254 THR c CB 1 +ATOM 34311 O OG1 . THR U 3 236 ? -31.247 9.330 32.905 1.00 73.22 ? 254 THR c OG1 1 +ATOM 34312 C CG2 . THR U 3 236 ? -33.550 8.824 33.461 1.00 70.37 ? 254 THR c CG2 1 +ATOM 34313 N N . THR U 3 237 ? -30.019 7.401 35.406 1.00 64.39 ? 255 THR c N 1 +ATOM 34314 C CA . THR U 3 237 ? -28.684 6.848 35.534 1.00 73.93 ? 255 THR c CA 1 +ATOM 34315 C C . THR U 3 237 ? -28.474 5.846 34.403 1.00 82.15 ? 255 THR c C 1 +ATOM 34316 O O . THR U 3 237 ? -29.440 5.229 33.934 1.00 72.71 ? 255 THR c O 1 +ATOM 34317 C CB . THR U 3 237 ? -28.503 6.184 36.909 1.00 72.48 ? 255 THR c CB 1 +ATOM 34318 O OG1 . THR U 3 237 ? -27.219 6.528 37.439 1.00 95.22 ? 255 THR c OG1 1 +ATOM 34319 C CG2 . THR U 3 237 ? -28.656 4.667 36.834 1.00 60.67 ? 255 THR c CG2 1 +ATOM 34320 N N . PRO U 3 238 ? -27.235 5.692 33.920 1.00 73.03 ? 256 PRO c N 1 +ATOM 34321 C CA . PRO U 3 238 ? -26.989 4.867 32.725 1.00 75.81 ? 256 PRO c CA 1 +ATOM 34322 C C . PRO U 3 238 ? -27.540 3.447 32.831 1.00 80.29 ? 256 PRO c C 1 +ATOM 34323 O O . PRO U 3 238 ? -27.388 2.775 33.852 1.00 77.46 ? 256 PRO c O 1 +ATOM 34324 C CB . PRO U 3 238 ? -25.460 4.864 32.620 1.00 67.41 ? 256 PRO c CB 1 +ATOM 34325 C CG . PRO U 3 238 ? -25.071 6.197 33.168 1.00 78.01 ? 256 PRO c CG 1 +ATOM 34326 C CD . PRO U 3 238 ? -26.054 6.498 34.280 1.00 75.24 ? 256 PRO c CD 1 +ATOM 34327 N N . PHE U 3 239 ? -28.165 2.986 31.743 1.00 70.84 ? 257 PHE c N 1 +ATOM 34328 C CA . PHE U 3 239 ? -28.655 1.619 31.651 1.00 75.20 ? 257 PHE c CA 1 +ATOM 34329 C C . PHE U 3 239 ? -27.496 0.628 31.543 1.00 85.86 ? 257 PHE c C 1 +ATOM 34330 O O . PHE U 3 239 ? -26.346 0.993 31.276 1.00 72.47 ? 257 PHE c O 1 +ATOM 34331 C CB . PHE U 3 239 ? -29.572 1.453 30.445 1.00 66.90 ? 257 PHE c CB 1 +ATOM 34332 C CG . PHE U 3 239 ? -30.735 2.374 30.449 1.00 81.18 ? 257 PHE c CG 1 +ATOM 34333 C CD1 . PHE U 3 239 ? -31.713 2.266 31.423 1.00 103.01 ? 257 PHE c CD1 1 +ATOM 34334 C CD2 . PHE U 3 239 ? -30.861 3.348 29.488 1.00 82.62 ? 257 PHE c CD2 1 +ATOM 34335 C CE1 . PHE U 3 239 ? -32.796 3.118 31.434 1.00 99.25 ? 257 PHE c CE1 1 +ATOM 34336 C CE2 . PHE U 3 239 ? -31.943 4.206 29.492 1.00 100.06 ? 257 PHE c CE2 1 +ATOM 34337 C CZ . PHE U 3 239 ? -32.912 4.090 30.463 1.00 100.53 ? 257 PHE c CZ 1 +ATOM 34338 N N . GLY U 3 240 ? -27.829 -0.656 31.725 1.00 76.88 ? 258 GLY c N 1 +ATOM 34339 C CA . GLY U 3 240 ? -26.803 -1.688 31.756 1.00 71.17 ? 258 GLY c CA 1 +ATOM 34340 C C . GLY U 3 240 ? -26.056 -1.839 30.440 1.00 87.13 ? 258 GLY c C 1 +ATOM 34341 O O . GLY U 3 240 ? -24.837 -2.051 30.428 1.00 69.08 ? 258 GLY c O 1 +ATOM 34342 N N . TRP U 3 241 ? -26.775 -1.751 29.313 1.00 85.53 ? 259 TRP c N 1 +ATOM 34343 C CA . TRP U 3 241 ? -26.108 -1.856 28.017 1.00 80.55 ? 259 TRP c CA 1 +ATOM 34344 C C . TRP U 3 241 ? -25.077 -0.748 27.849 1.00 68.93 ? 259 TRP c C 1 +ATOM 34345 O O . TRP U 3 241 ? -23.963 -0.994 27.372 1.00 80.72 ? 259 TRP c O 1 +ATOM 34346 C CB . TRP U 3 241 ? -27.128 -1.842 26.867 1.00 74.34 ? 259 TRP c CB 1 +ATOM 34347 C CG . TRP U 3 241 ? -27.992 -0.602 26.714 1.00 77.05 ? 259 TRP c CG 1 +ATOM 34348 C CD1 . TRP U 3 241 ? -29.262 -0.433 27.185 1.00 73.93 ? 259 TRP c CD1 1 +ATOM 34349 C CD2 . TRP U 3 241 ? -27.666 0.612 26.008 1.00 79.82 ? 259 TRP c CD2 1 +ATOM 34350 N NE1 . TRP U 3 241 ? -29.739 0.813 26.843 1.00 75.54 ? 259 TRP c NE1 1 +ATOM 34351 C CE2 . TRP U 3 241 ? -28.783 1.473 26.119 1.00 74.43 ? 259 TRP c CE2 1 +ATOM 34352 C CE3 . TRP U 3 241 ? -26.540 1.058 25.308 1.00 75.84 ? 259 TRP c CE3 1 +ATOM 34353 C CZ2 . TRP U 3 241 ? -28.808 2.749 25.550 1.00 76.73 ? 259 TRP c CZ2 1 +ATOM 34354 C CZ3 . TRP U 3 241 ? -26.565 2.326 24.747 1.00 79.75 ? 259 TRP c CZ3 1 +ATOM 34355 C CH2 . TRP U 3 241 ? -27.693 3.158 24.874 1.00 81.30 ? 259 TRP c CH2 1 +ATOM 34356 N N . ALA U 3 242 ? -25.420 0.473 28.262 1.00 76.71 ? 260 ALA c N 1 +ATOM 34357 C CA . ALA U 3 242 ? -24.434 1.546 28.263 1.00 65.93 ? 260 ALA c CA 1 +ATOM 34358 C C . ALA U 3 242 ? -23.298 1.243 29.230 1.00 80.06 ? 260 ALA c C 1 +ATOM 34359 O O . ALA U 3 242 ? -22.124 1.455 28.898 1.00 73.25 ? 260 ALA c O 1 +ATOM 34360 C CB . ALA U 3 242 ? -25.106 2.870 28.610 1.00 65.83 ? 260 ALA c CB 1 +ATOM 34361 N N . ARG U 3 243 ? -23.631 0.721 30.422 1.00 76.38 ? 261 ARG c N 1 +ATOM 34362 C CA . ARG U 3 243 ? -22.623 0.478 31.451 1.00 78.77 ? 261 ARG c CA 1 +ATOM 34363 C C . ARG U 3 243 ? -21.585 -0.528 30.979 1.00 68.75 ? 261 ARG c C 1 +ATOM 34364 O O . ARG U 3 243 ? -20.387 -0.371 31.247 1.00 67.25 ? 261 ARG c O 1 +ATOM 34365 C CB . ARG U 3 243 ? -23.287 -0.017 32.741 1.00 77.08 ? 261 ARG c CB 1 +ATOM 34366 C CG . ARG U 3 243 ? -24.098 1.039 33.478 1.00 88.77 ? 261 ARG c CG 1 +ATOM 34367 C CD . ARG U 3 243 ? -24.359 0.639 34.936 1.00 99.32 ? 261 ARG c CD 1 +ATOM 34368 N NE . ARG U 3 243 ? -25.518 -0.234 35.077 1.00 104.85 ? 261 ARG c NE 1 +ATOM 34369 C CZ . ARG U 3 243 ? -25.458 -1.557 35.146 1.00 117.49 ? 261 ARG c CZ 1 +ATOM 34370 N NH1 . ARG U 3 243 ? -24.301 -2.202 35.090 1.00 117.27 ? 261 ARG c NH1 1 +ATOM 34371 N NH2 . ARG U 3 243 ? -26.587 -2.252 35.277 1.00 99.86 ? 261 ARG c NH2 1 +ATOM 34372 N N . ARG U 3 244 ? -22.028 -1.574 30.285 1.00 63.18 ? 262 ARG c N 1 +ATOM 34373 C CA . ARG U 3 244 ? -21.125 -2.579 29.751 1.00 72.73 ? 262 ARG c CA 1 +ATOM 34374 C C . ARG U 3 244 ? -20.387 -2.116 28.500 1.00 82.90 ? 262 ARG c C 1 +ATOM 34375 O O . ARG U 3 244 ? -19.435 -2.787 28.084 1.00 71.25 ? 262 ARG c O 1 +ATOM 34376 C CB . ARG U 3 244 ? -21.902 -3.859 29.448 1.00 74.76 ? 262 ARG c CB 1 +ATOM 34377 C CG . ARG U 3 244 ? -22.561 -4.482 30.687 1.00 112.83 ? 262 ARG c CG 1 +ATOM 34378 C CD . ARG U 3 244 ? -23.195 -5.847 30.396 1.00 80.21 ? 262 ARG c CD 1 +ATOM 34379 N NE . ARG U 3 244 ? -24.433 -5.730 29.636 1.00 105.17 ? 262 ARG c NE 1 +ATOM 34380 C CZ . ARG U 3 244 ? -25.629 -5.537 30.178 1.00 114.15 ? 262 ARG c CZ 1 +ATOM 34381 N NH1 . ARG U 3 244 ? -25.786 -5.437 31.491 1.00 105.70 ? 262 ARG c NH1 1 +ATOM 34382 N NH2 . ARG U 3 244 ? -26.695 -5.439 29.385 1.00 98.04 ? 262 ARG c NH2 1 +ATOM 34383 N N . ALA U 3 245 ? -20.784 -0.989 27.897 1.00 65.05 ? 263 ALA c N 1 +ATOM 34384 C CA . ALA U 3 245 ? -20.176 -0.558 26.646 1.00 76.31 ? 263 ALA c CA 1 +ATOM 34385 C C . ALA U 3 245 ? -19.093 0.498 26.818 1.00 76.20 ? 263 ALA c C 1 +ATOM 34386 O O . ALA U 3 245 ? -18.240 0.621 25.932 1.00 65.17 ? 263 ALA c O 1 +ATOM 34387 C CB . ALA U 3 245 ? -21.241 -0.026 25.682 1.00 57.65 ? 263 ALA c CB 1 +ATOM 34388 N N . PHE U 3 246 ? -19.083 1.244 27.924 1.00 59.02 ? 264 PHE c N 1 +ATOM 34389 C CA . PHE U 3 246 ? -18.159 2.358 28.075 1.00 62.51 ? 264 PHE c CA 1 +ATOM 34390 C C . PHE U 3 246 ? -17.111 2.070 29.139 1.00 58.57 ? 264 PHE c C 1 +ATOM 34391 O O . PHE U 3 246 ? -17.278 1.189 29.973 1.00 69.22 ? 264 PHE c O 1 +ATOM 34392 C CB . PHE U 3 246 ? -18.908 3.655 28.422 1.00 71.07 ? 264 PHE c CB 1 +ATOM 34393 C CG . PHE U 3 246 ? -19.727 4.206 27.278 1.00 81.31 ? 264 PHE c CG 1 +ATOM 34394 C CD1 . PHE U 3 246 ? -19.137 5.016 26.310 1.00 77.80 ? 264 PHE c CD1 1 +ATOM 34395 C CD2 . PHE U 3 246 ? -21.075 3.897 27.155 1.00 68.63 ? 264 PHE c CD2 1 +ATOM 34396 C CE1 . PHE U 3 246 ? -19.887 5.514 25.243 1.00 68.11 ? 264 PHE c CE1 1 +ATOM 34397 C CE2 . PHE U 3 246 ? -21.832 4.398 26.088 1.00 85.76 ? 264 PHE c CE2 1 +ATOM 34398 C CZ . PHE U 3 246 ? -21.231 5.205 25.136 1.00 70.08 ? 264 PHE c CZ 1 +ATOM 34399 N N . ILE U 3 247 ? -16.013 2.817 29.076 1.00 69.45 ? 265 ILE c N 1 +ATOM 34400 C CA . ILE U 3 247 ? -15.025 2.873 30.151 1.00 68.83 ? 265 ILE c CA 1 +ATOM 34401 C C . ILE U 3 247 ? -15.368 4.060 31.043 1.00 70.78 ? 265 ILE c C 1 +ATOM 34402 O O . ILE U 3 247 ? -15.498 5.197 30.566 1.00 74.24 ? 265 ILE c O 1 +ATOM 34403 C CB . ILE U 3 247 ? -13.598 3.012 29.588 1.00 64.84 ? 265 ILE c CB 1 +ATOM 34404 C CG1 . ILE U 3 247 ? -13.235 1.836 28.680 1.00 60.54 ? 265 ILE c CG1 1 +ATOM 34405 C CG2 . ILE U 3 247 ? -12.581 3.201 30.710 1.00 57.44 ? 265 ILE c CG2 1 +ATOM 34406 C CD1 . ILE U 3 247 ? -13.338 0.463 29.323 1.00 63.05 ? 265 ILE c CD1 1 +ATOM 34407 N N . TRP U 3 248 ? -15.510 3.812 32.334 1.00 68.62 ? 266 TRP c N 1 +ATOM 34408 C CA . TRP U 3 248 ? -15.989 4.835 33.263 1.00 66.87 ? 266 TRP c CA 1 +ATOM 34409 C C . TRP U 3 248 ? -14.795 5.370 34.047 1.00 65.78 ? 266 TRP c C 1 +ATOM 34410 O O . TRP U 3 248 ? -14.443 4.854 35.109 1.00 72.62 ? 266 TRP c O 1 +ATOM 34411 C CB . TRP U 3 248 ? -17.084 4.249 34.151 1.00 64.68 ? 266 TRP c CB 1 +ATOM 34412 C CG . TRP U 3 248 ? -18.218 3.691 33.315 1.00 64.96 ? 266 TRP c CG 1 +ATOM 34413 C CD1 . TRP U 3 248 ? -18.325 2.423 32.815 1.00 67.86 ? 266 TRP c CD1 1 +ATOM 34414 C CD2 . TRP U 3 248 ? -19.374 4.405 32.845 1.00 60.26 ? 266 TRP c CD2 1 +ATOM 34415 N NE1 . TRP U 3 248 ? -19.486 2.296 32.082 1.00 72.90 ? 266 TRP c NE1 1 +ATOM 34416 C CE2 . TRP U 3 248 ? -20.147 3.499 32.088 1.00 64.78 ? 266 TRP c CE2 1 +ATOM 34417 C CE3 . TRP U 3 248 ? -19.841 5.715 33.012 1.00 60.86 ? 266 TRP c CE3 1 +ATOM 34418 C CZ2 . TRP U 3 248 ? -21.355 3.864 31.490 1.00 65.28 ? 266 TRP c CZ2 1 +ATOM 34419 C CZ3 . TRP U 3 248 ? -21.046 6.072 32.423 1.00 62.28 ? 266 TRP c CZ3 1 +ATOM 34420 C CH2 . TRP U 3 248 ? -21.785 5.149 31.668 1.00 56.21 ? 266 TRP c CH2 1 +ATOM 34421 N N . SER U 3 249 ? -14.158 6.409 33.505 1.00 60.66 ? 267 SER c N 1 +ATOM 34422 C CA . SER U 3 249 ? -13.029 7.046 34.177 1.00 61.35 ? 267 SER c CA 1 +ATOM 34423 C C . SER U 3 249 ? -12.855 8.446 33.625 1.00 59.69 ? 267 SER c C 1 +ATOM 34424 O O . SER U 3 249 ? -13.374 8.780 32.557 1.00 64.06 ? 267 SER c O 1 +ATOM 34425 C CB . SER U 3 249 ? -11.727 6.257 34.004 1.00 70.34 ? 267 SER c CB 1 +ATOM 34426 O OG . SER U 3 249 ? -11.150 6.464 32.727 1.00 63.20 ? 267 SER c OG 1 +ATOM 34427 N N . GLY U 3 250 ? -12.097 9.259 34.367 1.00 66.28 ? 268 GLY c N 1 +ATOM 34428 C CA . GLY U 3 250 ? -11.895 10.641 33.968 1.00 60.50 ? 268 GLY c CA 1 +ATOM 34429 C C . GLY U 3 250 ? -11.188 10.763 32.630 1.00 72.12 ? 268 GLY c C 1 +ATOM 34430 O O . GLY U 3 250 ? -11.541 11.609 31.804 1.00 59.01 ? 268 GLY c O 1 +ATOM 34431 N N . GLU U 3 251 ? -10.182 9.916 32.396 1.00 64.46 ? 269 GLU c N 1 +ATOM 34432 C CA . GLU U 3 251 ? -9.478 9.956 31.121 1.00 67.57 ? 269 GLU c CA 1 +ATOM 34433 C C . GLU U 3 251 ? -10.367 9.469 29.980 1.00 60.42 ? 269 GLU c C 1 +ATOM 34434 O O . GLU U 3 251 ? -10.280 9.975 28.854 1.00 64.38 ? 269 GLU c O 1 +ATOM 34435 C CB . GLU U 3 251 ? -8.198 9.131 31.196 1.00 54.49 ? 269 GLU c CB 1 +ATOM 34436 C CG . GLU U 3 251 ? -7.341 9.323 29.956 1.00 64.05 ? 269 GLU c CG 1 +ATOM 34437 C CD . GLU U 3 251 ? -5.939 8.801 30.119 1.00 61.87 ? 269 GLU c CD 1 +ATOM 34438 O OE1 . GLU U 3 251 ? -5.732 7.860 30.920 1.00 61.48 ? 269 GLU c OE1 1 +ATOM 34439 O OE2 . GLU U 3 251 ? -5.040 9.347 29.445 1.00 63.17 ? 269 GLU c OE2 1 +ATOM 34440 N N . ALA U 3 252 ? -11.231 8.496 30.252 1.00 57.66 ? 270 ALA c N 1 +ATOM 34441 C CA . ALA U 3 252 ? -12.164 8.036 29.237 1.00 57.24 ? 270 ALA c CA 1 +ATOM 34442 C C . ALA U 3 252 ? -13.125 9.146 28.847 1.00 66.06 ? 270 ALA c C 1 +ATOM 34443 O O . ALA U 3 252 ? -13.346 9.399 27.660 1.00 67.23 ? 270 ALA c O 1 +ATOM 34444 C CB . ALA U 3 252 ? -12.919 6.802 29.739 1.00 57.55 ? 270 ALA c CB 1 +ATOM 34445 N N . TYR U 3 253 ? -13.689 9.846 29.838 1.00 62.72 ? 271 TYR c N 1 +ATOM 34446 C CA . TYR U 3 253 ? -14.614 10.933 29.532 1.00 58.94 ? 271 TYR c CA 1 +ATOM 34447 C C . TYR U 3 253 ? -13.933 12.002 28.685 1.00 68.43 ? 271 TYR c C 1 +ATOM 34448 O O . TYR U 3 253 ? -14.527 12.539 27.738 1.00 54.72 ? 271 TYR c O 1 +ATOM 34449 C CB . TYR U 3 253 ? -15.164 11.538 30.828 1.00 60.94 ? 271 TYR c CB 1 +ATOM 34450 C CG . TYR U 3 253 ? -15.797 10.520 31.754 1.00 65.18 ? 271 TYR c CG 1 +ATOM 34451 C CD1 . TYR U 3 253 ? -16.450 9.404 31.237 1.00 59.03 ? 271 TYR c CD1 1 +ATOM 34452 C CD2 . TYR U 3 253 ? -15.732 10.669 33.154 1.00 66.77 ? 271 TYR c CD2 1 +ATOM 34453 C CE1 . TYR U 3 253 ? -17.015 8.448 32.063 1.00 66.24 ? 271 TYR c CE1 1 +ATOM 34454 C CE2 . TYR U 3 253 ? -16.307 9.710 34.005 1.00 56.83 ? 271 TYR c CE2 1 +ATOM 34455 C CZ . TYR U 3 253 ? -16.948 8.610 33.440 1.00 73.91 ? 271 TYR c CZ 1 +ATOM 34456 O OH . TYR U 3 253 ? -17.535 7.653 34.207 1.00 70.33 ? 271 TYR c OH 1 +ATOM 34457 N N . LEU U 3 254 ? -12.690 12.335 29.026 1.00 59.64 ? 272 LEU c N 1 +ATOM 34458 C CA . LEU U 3 254 ? -11.937 13.294 28.236 1.00 60.15 ? 272 LEU c CA 1 +ATOM 34459 C C . LEU U 3 254 ? -11.770 12.805 26.795 1.00 62.94 ? 272 LEU c C 1 +ATOM 34460 O O . LEU U 3 254 ? -11.929 13.582 25.845 1.00 62.54 ? 272 LEU c O 1 +ATOM 34461 C CB . LEU U 3 254 ? -10.585 13.533 28.900 1.00 54.75 ? 272 LEU c CB 1 +ATOM 34462 C CG . LEU U 3 254 ? -9.559 14.355 28.132 1.00 62.59 ? 272 LEU c CG 1 +ATOM 34463 C CD1 . LEU U 3 254 ? -10.034 15.809 27.982 1.00 58.90 ? 272 LEU c CD1 1 +ATOM 34464 C CD2 . LEU U 3 254 ? -8.198 14.264 28.811 1.00 62.19 ? 272 LEU c CD2 1 +ATOM 34465 N N . SER U 3 255 ? -11.478 11.512 26.614 1.00 57.32 ? 273 SER c N 1 +ATOM 34466 C CA . SER U 3 255 ? -11.252 10.996 25.268 1.00 57.89 ? 273 SER c CA 1 +ATOM 34467 C C . SER U 3 255 ? -12.515 11.094 24.428 1.00 58.78 ? 273 SER c C 1 +ATOM 34468 O O . SER U 3 255 ? -12.451 11.399 23.230 1.00 57.93 ? 273 SER c O 1 +ATOM 34469 C CB . SER U 3 255 ? -10.746 9.548 25.318 1.00 52.33 ? 273 SER c CB 1 +ATOM 34470 O OG . SER U 3 255 ? -11.815 8.632 25.458 1.00 55.59 ? 273 SER c OG 1 +ATOM 34471 N N . TYR U 3 256 ? -13.677 10.851 25.036 1.00 53.41 ? 274 TYR c N 1 +ATOM 34472 C CA . TYR U 3 256 ? -14.920 10.976 24.280 1.00 59.19 ? 274 TYR c CA 1 +ATOM 34473 C C . TYR U 3 256 ? -15.111 12.404 23.788 1.00 71.07 ? 274 TYR c C 1 +ATOM 34474 O O . TYR U 3 256 ? -15.539 12.622 22.650 1.00 65.93 ? 274 TYR c O 1 +ATOM 34475 C CB . TYR U 3 256 ? -16.112 10.542 25.127 1.00 54.06 ? 274 TYR c CB 1 +ATOM 34476 C CG . TYR U 3 256 ? -15.960 9.205 25.819 1.00 59.66 ? 274 TYR c CG 1 +ATOM 34477 C CD1 . TYR U 3 256 ? -15.185 8.190 25.268 1.00 51.62 ? 274 TYR c CD1 1 +ATOM 34478 C CD2 . TYR U 3 256 ? -16.605 8.955 27.050 1.00 66.81 ? 274 TYR c CD2 1 +ATOM 34479 C CE1 . TYR U 3 256 ? -15.062 6.943 25.906 1.00 64.05 ? 274 TYR c CE1 1 +ATOM 34480 C CE2 . TYR U 3 256 ? -16.486 7.711 27.703 1.00 57.75 ? 274 TYR c CE2 1 +ATOM 34481 C CZ . TYR U 3 256 ? -15.710 6.715 27.128 1.00 64.44 ? 274 TYR c CZ 1 +ATOM 34482 O OH . TYR U 3 256 ? -15.580 5.489 27.752 1.00 59.19 ? 274 TYR c OH 1 +ATOM 34483 N N . SER U 3 257 ? -14.787 13.395 24.629 1.00 62.18 ? 275 SER c N 1 +ATOM 34484 C CA . SER U 3 257 ? -14.978 14.778 24.219 1.00 59.52 ? 275 SER c CA 1 +ATOM 34485 C C . SER U 3 257 ? -13.946 15.209 23.184 1.00 55.21 ? 275 SER c C 1 +ATOM 34486 O O . SER U 3 257 ? -14.246 16.057 22.339 1.00 57.18 ? 275 SER c O 1 +ATOM 34487 C CB . SER U 3 257 ? -14.934 15.705 25.434 1.00 61.35 ? 275 SER c CB 1 +ATOM 34488 O OG . SER U 3 257 ? -16.057 15.495 26.275 1.00 66.47 ? 275 SER c OG 1 +ATOM 34489 N N . LEU U 3 258 ? -12.733 14.650 23.235 1.00 63.06 ? 276 LEU c N 1 +ATOM 34490 C CA . LEU U 3 258 ? -11.744 14.936 22.199 1.00 61.77 ? 276 LEU c CA 1 +ATOM 34491 C C . LEU U 3 258 ? -12.225 14.450 20.835 1.00 55.82 ? 276 LEU c C 1 +ATOM 34492 O O . LEU U 3 258 ? -12.079 15.159 19.826 1.00 56.43 ? 276 LEU c O 1 +ATOM 34493 C CB . LEU U 3 258 ? -10.400 14.300 22.552 1.00 51.36 ? 276 LEU c CB 1 +ATOM 34494 C CG . LEU U 3 258 ? -9.706 14.901 23.782 1.00 58.03 ? 276 LEU c CG 1 +ATOM 34495 C CD1 . LEU U 3 258 ? -8.449 14.098 24.155 1.00 54.58 ? 276 LEU c CD1 1 +ATOM 34496 C CD2 . LEU U 3 258 ? -9.361 16.361 23.573 1.00 52.88 ? 276 LEU c CD2 1 +ATOM 34497 N N . GLY U 3 259 ? -12.824 13.256 20.792 1.00 52.46 ? 277 GLY c N 1 +ATOM 34498 C CA . GLY U 3 259 ? -13.418 12.779 19.552 1.00 56.50 ? 277 GLY c CA 1 +ATOM 34499 C C . GLY U 3 259 ? -14.553 13.671 19.088 1.00 71.70 ? 277 GLY c C 1 +ATOM 34500 O O . GLY U 3 259 ? -14.639 14.018 17.906 1.00 65.91 ? 277 GLY c O 1 +ATOM 34501 N N . ALA U 3 260 ? -15.422 14.080 20.021 1.00 58.09 ? 278 ALA c N 1 +ATOM 34502 C CA . ALA U 3 260 ? -16.523 14.972 19.676 1.00 58.17 ? 278 ALA c CA 1 +ATOM 34503 C C . ALA U 3 260 ? -15.999 16.292 19.124 1.00 59.37 ? 278 ALA c C 1 +ATOM 34504 O O . ALA U 3 260 ? -16.492 16.786 18.105 1.00 56.66 ? 278 ALA c O 1 +ATOM 34505 C CB . ALA U 3 260 ? -17.414 15.213 20.898 1.00 64.99 ? 278 ALA c CB 1 +ATOM 34506 N N . LEU U 3 261 ? -14.982 16.868 19.772 1.00 52.70 ? 279 LEU c N 1 +ATOM 34507 C CA . LEU U 3 261 ? -14.490 18.167 19.330 1.00 50.91 ? 279 LEU c CA 1 +ATOM 34508 C C . LEU U 3 261 ? -13.786 18.065 17.980 1.00 60.74 ? 279 LEU c C 1 +ATOM 34509 O O . LEU U 3 261 ? -13.904 18.972 17.148 1.00 61.83 ? 279 LEU c O 1 +ATOM 34510 C CB . LEU U 3 261 ? -13.568 18.777 20.381 1.00 55.13 ? 279 LEU c CB 1 +ATOM 34511 C CG . LEU U 3 261 ? -14.166 20.011 21.090 1.00 71.13 ? 279 LEU c CG 1 +ATOM 34512 C CD1 . LEU U 3 261 ? -15.507 19.702 21.729 1.00 64.39 ? 279 LEU c CD1 1 +ATOM 34513 C CD2 . LEU U 3 261 ? -13.213 20.559 22.123 1.00 57.20 ? 279 LEU c CD2 1 +ATOM 34514 N N . SER U 3 262 ? -13.059 16.968 17.744 1.00 60.67 ? 280 SER c N 1 +ATOM 34515 C CA . SER U 3 262 ? -12.430 16.733 16.449 1.00 59.25 ? 280 SER c CA 1 +ATOM 34516 C C . SER U 3 262 ? -13.462 16.782 15.328 1.00 62.94 ? 280 SER c C 1 +ATOM 34517 O O . SER U 3 262 ? -13.336 17.559 14.372 1.00 55.24 ? 280 SER c O 1 +ATOM 34518 C CB . SER U 3 262 ? -11.725 15.372 16.455 1.00 59.23 ? 280 SER c CB 1 +ATOM 34519 O OG . SER U 3 262 ? -10.972 15.196 15.270 1.00 60.31 ? 280 SER c OG 1 +ATOM 34520 N N . MET U 3 263 ? -14.491 15.940 15.438 1.00 54.52 ? 281 MET c N 1 +ATOM 34521 C CA . MET U 3 263 ? -15.561 15.912 14.452 1.00 55.62 ? 281 MET c CA 1 +ATOM 34522 C C . MET U 3 263 ? -16.153 17.299 14.226 1.00 66.91 ? 281 MET c C 1 +ATOM 34523 O O . MET U 3 263 ? -16.371 17.709 13.080 1.00 57.14 ? 281 MET c O 1 +ATOM 34524 C CB . MET U 3 263 ? -16.629 14.917 14.905 1.00 57.16 ? 281 MET c CB 1 +ATOM 34525 C CG . MET U 3 263 ? -17.965 15.039 14.206 1.00 75.00 ? 281 MET c CG 1 +ATOM 34526 S SD . MET U 3 263 ? -19.078 13.724 14.743 1.00 83.30 ? 281 MET c SD 1 +ATOM 34527 C CE . MET U 3 263 ? -17.924 12.363 14.807 1.00 95.04 ? 281 MET c CE 1 +ATOM 34528 N N . MET U 3 264 ? -16.389 18.056 15.302 1.00 55.71 ? 282 MET c N 1 +ATOM 34529 C CA . MET U 3 264 ? -16.972 19.377 15.108 1.00 58.29 ? 282 MET c CA 1 +ATOM 34530 C C . MET U 3 264 ? -16.010 20.310 14.383 1.00 61.30 ? 282 MET c C 1 +ATOM 34531 O O . MET U 3 264 ? -16.440 21.141 13.570 1.00 54.47 ? 282 MET c O 1 +ATOM 34532 C CB . MET U 3 264 ? -17.397 19.970 16.448 1.00 53.63 ? 282 MET c CB 1 +ATOM 34533 C CG . MET U 3 264 ? -18.601 19.288 17.092 1.00 65.37 ? 282 MET c CG 1 +ATOM 34534 S SD . MET U 3 264 ? -18.992 20.061 18.696 1.00 66.24 ? 282 MET c SD 1 +ATOM 34535 C CE . MET U 3 264 ? -18.814 18.674 19.819 1.00 66.72 ? 282 MET c CE 1 +ATOM 34536 N N . GLY U 3 265 ? -14.710 20.215 14.682 1.00 53.65 ? 283 GLY c N 1 +ATOM 34537 C CA . GLY U 3 265 ? -13.739 21.054 13.987 1.00 52.26 ? 283 GLY c CA 1 +ATOM 34538 C C . GLY U 3 265 ? -13.720 20.808 12.484 1.00 59.46 ? 283 GLY c C 1 +ATOM 34539 O O . GLY U 3 265 ? -13.659 21.752 11.694 1.00 57.63 ? 283 GLY c O 1 +ATOM 34540 N N . PHE U 3 266 ? -13.784 19.532 12.073 1.00 54.63 ? 284 PHE c N 1 +ATOM 34541 C CA . PHE U 3 266 ? -13.831 19.189 10.655 1.00 54.06 ? 284 PHE c CA 1 +ATOM 34542 C C . PHE U 3 266 ? -15.084 19.743 10.001 1.00 55.84 ? 284 PHE c C 1 +ATOM 34543 O O . PHE U 3 266 ? -15.046 20.206 8.856 1.00 61.94 ? 284 PHE c O 1 +ATOM 34544 C CB . PHE U 3 266 ? -13.803 17.662 10.466 1.00 53.48 ? 284 PHE c CB 1 +ATOM 34545 C CG . PHE U 3 266 ? -12.483 17.029 10.783 1.00 57.32 ? 284 PHE c CG 1 +ATOM 34546 C CD1 . PHE U 3 266 ? -11.308 17.527 10.228 1.00 56.95 ? 284 PHE c CD1 1 +ATOM 34547 C CD2 . PHE U 3 266 ? -12.410 15.945 11.648 1.00 56.47 ? 284 PHE c CD2 1 +ATOM 34548 C CE1 . PHE U 3 266 ? -10.086 16.944 10.519 1.00 51.96 ? 284 PHE c CE1 1 +ATOM 34549 C CE2 . PHE U 3 266 ? -11.195 15.358 11.942 1.00 59.30 ? 284 PHE c CE2 1 +ATOM 34550 C CZ . PHE U 3 266 ? -10.030 15.858 11.377 1.00 52.10 ? 284 PHE c CZ 1 +ATOM 34551 N N . ILE U 3 267 ? -16.218 19.647 10.695 1.00 58.35 ? 285 ILE c N 1 +ATOM 34552 C CA . ILE U 3 267 ? -17.465 20.182 10.169 1.00 59.29 ? 285 ILE c CA 1 +ATOM 34553 C C . ILE U 3 267 ? -17.366 21.691 10.024 1.00 56.47 ? 285 ILE c C 1 +ATOM 34554 O O . ILE U 3 267 ? -17.812 22.273 9.027 1.00 58.21 ? 285 ILE c O 1 +ATOM 34555 C CB . ILE U 3 267 ? -18.638 19.766 11.073 1.00 62.16 ? 285 ILE c CB 1 +ATOM 34556 C CG1 . ILE U 3 267 ? -18.843 18.247 11.006 1.00 57.15 ? 285 ILE c CG1 1 +ATOM 34557 C CG2 . ILE U 3 267 ? -19.919 20.552 10.743 1.00 55.31 ? 285 ILE c CG2 1 +ATOM 34558 C CD1 . ILE U 3 267 ? -19.856 17.737 12.014 1.00 59.21 ? 285 ILE c CD1 1 +ATOM 34559 N N . ALA U 3 268 ? -16.751 22.345 10.997 1.00 54.80 ? 286 ALA c N 1 +ATOM 34560 C CA . ALA U 3 268 ? -16.615 23.792 10.912 1.00 51.83 ? 286 ALA c CA 1 +ATOM 34561 C C . ALA U 3 268 ? -15.700 24.179 9.760 1.00 58.95 ? 286 ALA c C 1 +ATOM 34562 O O . ALA U 3 268 ? -15.902 25.218 9.116 1.00 58.64 ? 286 ALA c O 1 +ATOM 34563 C CB . ALA U 3 268 ? -16.083 24.346 12.229 1.00 52.01 ? 286 ALA c CB 1 +ATOM 34564 N N A THR U 3 269 ? -14.683 23.356 9.490 0.40 53.47 ? 287 THR c N 1 +ATOM 34565 N N B THR U 3 269 ? -14.681 23.364 9.484 0.60 53.45 ? 287 THR c N 1 +ATOM 34566 C CA A THR U 3 269 ? -13.797 23.631 8.367 0.40 58.42 ? 287 THR c CA 1 +ATOM 34567 C CA B THR U 3 269 ? -13.791 23.645 8.363 0.60 58.55 ? 287 THR c CA 1 +ATOM 34568 C C A THR U 3 269 ? -14.568 23.669 7.053 0.40 51.97 ? 287 THR c C 1 +ATOM 34569 C C B THR U 3 269 ? -14.566 23.695 7.051 0.60 51.90 ? 287 THR c C 1 +ATOM 34570 O O A THR U 3 269 ? -14.365 24.566 6.230 0.40 53.98 ? 287 THR c O 1 +ATOM 34571 O O B THR U 3 269 ? -14.404 24.626 6.256 0.60 54.00 ? 287 THR c O 1 +ATOM 34572 C CB A THR U 3 269 ? -12.696 22.578 8.314 0.40 59.28 ? 287 THR c CB 1 +ATOM 34573 C CB B THR U 3 269 ? -12.689 22.591 8.302 0.60 59.43 ? 287 THR c CB 1 +ATOM 34574 O OG1 A THR U 3 269 ? -11.813 22.772 9.424 0.40 58.55 ? 287 THR c OG1 1 +ATOM 34575 O OG1 B THR U 3 269 ? -11.857 22.715 9.460 0.60 58.66 ? 287 THR c OG1 1 +ATOM 34576 C CG2 A THR U 3 269 ? -11.923 22.683 7.018 0.40 52.13 ? 287 THR c CG2 1 +ATOM 34577 C CG2 B THR U 3 269 ? -11.844 22.774 7.046 0.60 52.10 ? 287 THR c CG2 1 +ATOM 34578 N N A CYS U 3 270 ? -15.473 22.719 6.851 0.40 53.32 ? 288 CYS c N 1 +ATOM 34579 N N B CYS U 3 270 ? -15.437 22.714 6.826 0.60 53.26 ? 288 CYS c N 1 +ATOM 34580 C CA A CYS U 3 270 ? -16.241 22.706 5.614 0.40 56.60 ? 288 CYS c CA 1 +ATOM 34581 C CA B CYS U 3 270 ? -16.228 22.703 5.602 0.60 56.57 ? 288 CYS c CA 1 +ATOM 34582 C C A CYS U 3 270 ? -17.312 23.783 5.610 0.40 57.83 ? 288 CYS c C 1 +ATOM 34583 C C B CYS U 3 270 ? -17.295 23.790 5.609 0.60 57.87 ? 288 CYS c C 1 +ATOM 34584 O O A CYS U 3 270 ? -17.668 24.289 4.543 0.40 60.60 ? 288 CYS c O 1 +ATOM 34585 O O B CYS U 3 270 ? -17.643 24.311 4.543 0.60 60.78 ? 288 CYS c O 1 +ATOM 34586 C CB A CYS U 3 270 ? -16.857 21.325 5.399 0.40 59.22 ? 288 CYS c CB 1 +ATOM 34587 C CB B CYS U 3 270 ? -16.856 21.324 5.402 0.60 59.24 ? 288 CYS c CB 1 +ATOM 34588 S SG A CYS U 3 270 ? -15.594 20.043 5.186 0.40 57.86 ? 288 CYS c SG 1 +ATOM 34589 S SG B CYS U 3 270 ? -15.631 20.006 5.169 0.60 57.95 ? 288 CYS c SG 1 +ATOM 34590 N N . PHE U 3 271 ? -17.810 24.158 6.787 1.00 53.67 ? 289 PHE c N 1 +ATOM 34591 C CA . PHE U 3 271 ? -18.826 25.202 6.869 1.00 55.37 ? 289 PHE c CA 1 +ATOM 34592 C C . PHE U 3 271 ? -18.279 26.530 6.374 1.00 58.12 ? 289 PHE c C 1 +ATOM 34593 O O . PHE U 3 271 ? -18.870 27.171 5.496 1.00 59.96 ? 289 PHE c O 1 +ATOM 34594 C CB . PHE U 3 271 ? -19.336 25.344 8.313 1.00 58.47 ? 289 PHE c CB 1 +ATOM 34595 C CG . PHE U 3 271 ? -20.801 25.030 8.468 1.00 51.35 ? 289 PHE c CG 1 +ATOM 34596 C CD1 . PHE U 3 271 ? -21.769 25.899 7.967 1.00 53.77 ? 289 PHE c CD1 1 +ATOM 34597 C CD2 . PHE U 3 271 ? -21.210 23.866 9.108 1.00 58.16 ? 289 PHE c CD2 1 +ATOM 34598 C CE1 . PHE U 3 271 ? -23.121 25.608 8.097 1.00 55.06 ? 289 PHE c CE1 1 +ATOM 34599 C CE2 . PHE U 3 271 ? -22.558 23.563 9.248 1.00 57.41 ? 289 PHE c CE2 1 +ATOM 34600 C CZ . PHE U 3 271 ? -23.515 24.428 8.742 1.00 59.59 ? 289 PHE c CZ 1 +ATOM 34601 N N A VAL U 3 272 ? -17.139 26.961 6.921 0.40 49.69 ? 290 VAL c N 1 +ATOM 34602 N N B VAL U 3 272 ? -17.141 26.961 6.922 0.60 49.52 ? 290 VAL c N 1 +ATOM 34603 C CA A VAL U 3 272 ? -16.593 28.238 6.490 0.40 56.22 ? 290 VAL c CA 1 +ATOM 34604 C CA B VAL U 3 272 ? -16.568 28.237 6.523 0.60 56.20 ? 290 VAL c CA 1 +ATOM 34605 C C A VAL U 3 272 ? -16.084 28.180 5.045 0.40 60.87 ? 290 VAL c C 1 +ATOM 34606 C C B VAL U 3 272 ? -16.073 28.202 5.080 0.60 61.04 ? 290 VAL c C 1 +ATOM 34607 O O A VAL U 3 272 ? -15.977 29.221 4.384 0.40 55.92 ? 290 VAL c O 1 +ATOM 34608 O O B VAL U 3 272 ? -15.986 29.253 4.427 0.60 56.00 ? 290 VAL c O 1 +ATOM 34609 C CB A VAL U 3 272 ? -15.500 28.704 7.480 0.40 53.70 ? 290 VAL c CB 1 +ATOM 34610 C CB B VAL U 3 272 ? -15.442 28.645 7.501 0.60 53.65 ? 290 VAL c CB 1 +ATOM 34611 C CG1 A VAL U 3 272 ? -14.267 27.810 7.415 0.40 50.30 ? 290 VAL c CG1 1 +ATOM 34612 C CG1 B VAL U 3 272 ? -14.252 27.716 7.376 0.60 50.26 ? 290 VAL c CG1 1 +ATOM 34613 C CG2 A VAL U 3 272 ? -15.150 30.172 7.245 0.40 49.91 ? 290 VAL c CG2 1 +ATOM 34614 C CG2 B VAL U 3 272 ? -15.025 30.079 7.266 0.60 49.76 ? 290 VAL c CG2 1 +ATOM 34615 N N A TRP U 3 273 ? -15.794 26.984 4.522 0.40 57.95 ? 291 TRP c N 1 +ATOM 34616 N N B TRP U 3 273 ? -15.772 27.012 4.549 0.60 58.03 ? 291 TRP c N 1 +ATOM 34617 C CA A TRP U 3 273 ? -15.234 26.914 3.182 0.40 59.64 ? 291 TRP c CA 1 +ATOM 34618 C CA B TRP U 3 273 ? -15.220 26.943 3.204 0.60 59.73 ? 291 TRP c CA 1 +ATOM 34619 C C A TRP U 3 273 ? -16.324 26.964 2.114 0.40 59.30 ? 291 TRP c C 1 +ATOM 34620 C C B TRP U 3 273 ? -16.308 26.994 2.134 0.60 59.45 ? 291 TRP c C 1 +ATOM 34621 O O A TRP U 3 273 ? -16.140 27.607 1.074 0.40 57.76 ? 291 TRP c O 1 +ATOM 34622 O O B TRP U 3 273 ? -16.113 27.620 1.086 0.60 57.87 ? 291 TRP c O 1 +ATOM 34623 C CB A TRP U 3 273 ? -14.377 25.654 3.035 0.40 55.81 ? 291 TRP c CB 1 +ATOM 34624 C CB B TRP U 3 273 ? -14.363 25.682 3.047 0.60 55.89 ? 291 TRP c CB 1 +ATOM 34625 C CG A TRP U 3 273 ? -13.531 25.691 1.808 0.40 54.59 ? 291 TRP c CG 1 +ATOM 34626 C CG B TRP U 3 273 ? -13.520 25.724 1.820 0.60 54.54 ? 291 TRP c CG 1 +ATOM 34627 C CD1 A TRP U 3 273 ? -13.664 24.907 0.693 0.40 56.94 ? 291 TRP c CD1 1 +ATOM 34628 C CD1 B TRP U 3 273 ? -13.660 24.951 0.700 0.60 57.10 ? 291 TRP c CD1 1 +ATOM 34629 C CD2 A TRP U 3 273 ? -12.431 26.582 1.546 0.40 52.20 ? 291 TRP c CD2 1 +ATOM 34630 C CD2 B TRP U 3 273 ? -12.411 26.601 1.567 0.60 52.16 ? 291 TRP c CD2 1 +ATOM 34631 N NE1 A TRP U 3 273 ? -12.703 25.242 -0.231 0.40 52.03 ? 291 TRP c NE1 1 +ATOM 34632 N NE1 B TRP U 3 273 ? -12.701 25.288 -0.228 0.60 52.08 ? 291 TRP c NE1 1 +ATOM 34633 C CE2 A TRP U 3 273 ? -11.943 26.272 0.255 0.40 53.19 ? 291 TRP c CE2 1 +ATOM 34634 C CE2 B TRP U 3 273 ? -11.929 26.303 0.274 0.60 53.28 ? 291 TRP c CE2 1 +ATOM 34635 C CE3 A TRP U 3 273 ? -11.813 27.608 2.277 0.40 48.92 ? 291 TRP c CE3 1 +ATOM 34636 C CE3 B TRP U 3 273 ? -11.783 27.617 2.304 0.60 48.77 ? 291 TRP c CE3 1 +ATOM 34637 C CZ2 A TRP U 3 273 ? -10.865 26.948 -0.321 0.40 51.93 ? 291 TRP c CZ2 1 +ATOM 34638 C CZ2 B TRP U 3 273 ? -10.845 26.970 -0.290 0.60 52.00 ? 291 TRP c CZ2 1 +ATOM 34639 C CZ3 A TRP U 3 273 ? -10.742 28.276 1.713 0.40 46.33 ? 291 TRP c CZ3 1 +ATOM 34640 C CZ3 B TRP U 3 273 ? -10.709 28.282 1.742 0.60 46.15 ? 291 TRP c CZ3 1 +ATOM 34641 C CH2 A TRP U 3 273 ? -10.277 27.948 0.424 0.40 53.09 ? 291 TRP c CH2 1 +ATOM 34642 C CH2 B TRP U 3 273 ? -10.251 27.962 0.462 0.60 53.08 ? 291 TRP c CH2 1 +ATOM 34643 N N A PHE U 3 274 ? -17.470 26.326 2.362 0.40 52.75 ? 292 PHE c N 1 +ATOM 34644 N N B PHE U 3 274 ? -17.456 26.362 2.377 0.60 52.71 ? 292 PHE c N 1 +ATOM 34645 C CA A PHE U 3 274 ? -18.532 26.223 1.364 0.40 53.69 ? 292 PHE c CA 1 +ATOM 34646 C CA B PHE U 3 274 ? -18.507 26.237 1.370 0.60 53.62 ? 292 PHE c CA 1 +ATOM 34647 C C A PHE U 3 274 ? -19.723 27.128 1.625 0.40 58.50 ? 292 PHE c C 1 +ATOM 34648 C C B PHE U 3 274 ? -19.707 27.134 1.594 0.60 58.61 ? 292 PHE c C 1 +ATOM 34649 O O A PHE U 3 274 ? -20.338 27.610 0.664 0.40 57.80 ? 292 PHE c O 1 +ATOM 34650 O O B PHE U 3 274 ? -20.296 27.614 0.620 0.60 57.88 ? 292 PHE c O 1 +ATOM 34651 C CB A PHE U 3 274 ? -19.049 24.784 1.269 0.40 51.42 ? 292 PHE c CB 1 +ATOM 34652 C CB B PHE U 3 274 ? -19.008 24.790 1.292 0.60 51.35 ? 292 PHE c CB 1 +ATOM 34653 C CG A PHE U 3 274 ? -18.075 23.843 0.665 0.40 56.82 ? 292 PHE c CG 1 +ATOM 34654 C CG B PHE U 3 274 ? -18.047 23.863 0.649 0.60 56.94 ? 292 PHE c CG 1 +ATOM 34655 C CD1 A PHE U 3 274 ? -17.875 23.833 -0.718 0.40 54.09 ? 292 PHE c CD1 1 +ATOM 34656 C CD1 B PHE U 3 274 ? -17.902 23.854 -0.736 0.60 54.08 ? 292 PHE c CD1 1 +ATOM 34657 C CD2 A PHE U 3 274 ? -17.328 22.986 1.471 0.40 51.93 ? 292 PHE c CD2 1 +ATOM 34658 C CD2 B PHE U 3 274 ? -17.265 23.014 1.421 0.60 51.83 ? 292 PHE c CD2 1 +ATOM 34659 C CE1 A PHE U 3 274 ? -16.967 22.963 -1.291 0.40 50.57 ? 292 PHE c CE1 1 +ATOM 34660 C CE1 B PHE U 3 274 ? -17.008 23.000 -1.339 0.60 50.44 ? 292 PHE c CE1 1 +ATOM 34661 C CE2 A PHE U 3 274 ? -16.411 22.112 0.915 0.40 55.26 ? 292 PHE c CE2 1 +ATOM 34662 C CE2 B PHE U 3 274 ? -16.362 22.156 0.826 0.60 55.22 ? 292 PHE c CE2 1 +ATOM 34663 C CZ A PHE U 3 274 ? -16.228 22.094 -0.472 0.40 56.08 ? 292 PHE c CZ 1 +ATOM 34664 C CZ B PHE U 3 274 ? -16.233 22.146 -0.555 0.60 56.24 ? 292 PHE c CZ 1 +ATOM 34665 N N A ASN U 3 275 ? -20.078 27.359 2.887 0.40 56.05 ? 293 ASN c N 1 +ATOM 34666 N N B ASN U 3 275 ? -20.097 27.352 2.845 0.60 56.08 ? 293 ASN c N 1 +ATOM 34667 C CA A ASN U 3 275 ? -21.342 28.014 3.193 0.40 58.00 ? 293 ASN c CA 1 +ATOM 34668 C CA B ASN U 3 275 ? -21.362 27.999 3.150 0.60 58.06 ? 293 ASN c CA 1 +ATOM 34669 C C A ASN U 3 275 ? -21.184 29.533 3.126 0.40 60.60 ? 293 ASN c C 1 +ATOM 34670 C C B ASN U 3 275 ? -21.197 29.515 3.135 0.60 60.76 ? 293 ASN c C 1 +ATOM 34671 O O A ASN U 3 275 ? -20.234 30.097 3.692 0.40 53.59 ? 293 ASN c O 1 +ATOM 34672 O O B ASN U 3 275 ? -20.265 30.052 3.746 0.60 53.57 ? 293 ASN c O 1 +ATOM 34673 C CB A ASN U 3 275 ? -21.845 27.574 4.570 0.40 57.17 ? 293 ASN c CB 1 +ATOM 34674 C CB B ASN U 3 275 ? -21.889 27.524 4.507 0.60 57.12 ? 293 ASN c CB 1 +ATOM 34675 C CG A ASN U 3 275 ? -23.235 28.088 4.867 0.40 63.88 ? 293 ASN c CG 1 +ATOM 34676 C CG B ASN U 3 275 ? -23.265 28.068 4.814 0.60 64.09 ? 293 ASN c CG 1 +ATOM 34677 O OD1 A ASN U 3 275 ? -23.409 29.275 5.158 0.40 59.52 ? 293 ASN c OD1 1 +ATOM 34678 O OD1 B ASN U 3 275 ? -23.422 29.262 5.075 0.60 59.49 ? 293 ASN c OD1 1 +ATOM 34679 N ND2 A ASN U 3 275 ? -24.233 27.213 4.766 0.40 52.89 ? 293 ASN c ND2 1 +ATOM 34680 N ND2 B ASN U 3 275 ? -24.276 27.202 4.757 0.60 52.79 ? 293 ASN c ND2 1 +ATOM 34681 N N . ASN U 3 276 ? -22.096 30.199 2.414 1.00 49.90 ? 294 ASN c N 1 +ATOM 34682 C CA . ASN U 3 276 ? -22.086 31.655 2.335 1.00 53.43 ? 294 ASN c CA 1 +ATOM 34683 C C . ASN U 3 276 ? -23.356 32.277 2.909 1.00 61.35 ? 294 ASN c C 1 +ATOM 34684 O O . ASN U 3 276 ? -23.618 33.465 2.673 1.00 61.80 ? 294 ASN c O 1 +ATOM 34685 C CB . ASN U 3 276 ? -21.865 32.143 0.886 1.00 52.91 ? 294 ASN c CB 1 +ATOM 34686 C CG . ASN U 3 276 ? -22.918 31.637 -0.087 1.00 56.69 ? 294 ASN c CG 1 +ATOM 34687 O OD1 . ASN U 3 276 ? -23.872 30.948 0.295 1.00 59.79 ? 294 ASN c OD1 1 +ATOM 34688 N ND2 . ASN U 3 276 ? -22.740 31.971 -1.363 1.00 58.05 ? 294 ASN c ND2 1 +ATOM 34689 N N . THR U 3 277 ? -24.159 31.502 3.636 1.00 63.64 ? 295 THR c N 1 +ATOM 34690 C CA . THR U 3 277 ? -25.324 32.043 4.328 1.00 56.44 ? 295 THR c CA 1 +ATOM 34691 C C . THR U 3 277 ? -24.957 32.488 5.745 1.00 60.08 ? 295 THR c C 1 +ATOM 34692 O O . THR U 3 277 ? -25.017 33.682 6.064 1.00 61.94 ? 295 THR c O 1 +ATOM 34693 C CB . THR U 3 277 ? -26.450 31.008 4.345 1.00 59.16 ? 295 THR c CB 1 +ATOM 34694 O OG1 . THR U 3 277 ? -26.828 30.685 2.997 1.00 61.36 ? 295 THR c OG1 1 +ATOM 34695 C CG2 . THR U 3 277 ? -27.660 31.559 5.103 1.00 66.71 ? 295 THR c CG2 1 +ATOM 34696 N N . VAL U 3 278 ? -24.538 31.547 6.599 1.00 56.57 ? 296 VAL c N 1 +ATOM 34697 C CA . VAL U 3 278 ? -24.107 31.921 7.948 1.00 56.57 ? 296 VAL c CA 1 +ATOM 34698 C C . VAL U 3 278 ? -22.659 32.371 8.003 1.00 60.48 ? 296 VAL c C 1 +ATOM 34699 O O . VAL U 3 278 ? -22.203 32.804 9.070 1.00 63.43 ? 296 VAL c O 1 +ATOM 34700 C CB . VAL U 3 278 ? -24.352 30.779 8.955 1.00 63.22 ? 296 VAL c CB 1 +ATOM 34701 C CG1 . VAL U 3 278 ? -25.841 30.421 8.978 1.00 51.04 ? 296 VAL c CG1 1 +ATOM 34702 C CG2 . VAL U 3 278 ? -23.486 29.551 8.633 1.00 52.51 ? 296 VAL c CG2 1 +ATOM 34703 N N . TYR U 3 279 ? -21.922 32.313 6.882 1.00 60.48 ? 297 TYR c N 1 +ATOM 34704 C CA . TYR U 3 279 ? -20.643 33.016 6.723 1.00 58.06 ? 297 TYR c CA 1 +ATOM 34705 C C . TYR U 3 279 ? -20.771 33.914 5.493 1.00 64.96 ? 297 TYR c C 1 +ATOM 34706 O O . TYR U 3 279 ? -20.393 33.522 4.374 1.00 61.50 ? 297 TYR c O 1 +ATOM 34707 C CB . TYR U 3 279 ? -19.468 32.044 6.596 1.00 53.49 ? 297 TYR c CB 1 +ATOM 34708 C CG . TYR U 3 279 ? -19.213 31.190 7.819 1.00 55.52 ? 297 TYR c CG 1 +ATOM 34709 C CD1 . TYR U 3 279 ? -18.407 31.655 8.868 1.00 54.48 ? 297 TYR c CD1 1 +ATOM 34710 C CD2 . TYR U 3 279 ? -19.766 29.912 7.925 1.00 54.20 ? 297 TYR c CD2 1 +ATOM 34711 C CE1 . TYR U 3 279 ? -18.166 30.861 10.005 1.00 56.77 ? 297 TYR c CE1 1 +ATOM 34712 C CE2 . TYR U 3 279 ? -19.543 29.116 9.048 1.00 63.86 ? 297 TYR c CE2 1 +ATOM 34713 C CZ . TYR U 3 279 ? -18.740 29.588 10.089 1.00 68.27 ? 297 TYR c CZ 1 +ATOM 34714 O OH . TYR U 3 279 ? -18.522 28.780 11.200 1.00 61.79 ? 297 TYR c OH 1 +ATOM 34715 N N . PRO U 3 280 ? -21.336 35.112 5.648 1.00 76.78 ? 298 PRO c N 1 +ATOM 34716 C CA . PRO U 3 280 ? -21.626 35.947 4.468 1.00 58.22 ? 298 PRO c CA 1 +ATOM 34717 C C . PRO U 3 280 ? -20.356 36.337 3.725 1.00 56.72 ? 298 PRO c C 1 +ATOM 34718 O O . PRO U 3 280 ? -19.343 36.705 4.327 1.00 61.50 ? 298 PRO c O 1 +ATOM 34719 C CB . PRO U 3 280 ? -22.338 37.168 5.070 1.00 73.84 ? 298 PRO c CB 1 +ATOM 34720 C CG . PRO U 3 280 ? -23.004 36.603 6.326 1.00 61.25 ? 298 PRO c CG 1 +ATOM 34721 C CD . PRO U 3 280 ? -21.953 35.658 6.871 1.00 58.30 ? 298 PRO c CD 1 +ATOM 34722 N N . SER U 3 281 ? -20.416 36.246 2.394 1.00 55.13 ? 299 SER c N 1 +ATOM 34723 C CA . SER U 3 281 ? -19.249 36.604 1.601 1.00 54.94 ? 299 SER c CA 1 +ATOM 34724 C C . SER U 3 281 ? -18.921 38.082 1.726 1.00 58.15 ? 299 SER c C 1 +ATOM 34725 O O . SER U 3 281 ? -17.750 38.462 1.590 1.00 59.97 ? 299 SER c O 1 +ATOM 34726 C CB . SER U 3 281 ? -19.464 36.198 0.147 1.00 56.02 ? 299 SER c CB 1 +ATOM 34727 O OG . SER U 3 281 ? -19.775 34.822 0.106 1.00 59.71 ? 299 SER c OG 1 +ATOM 34728 N N . GLU U 3 282 ? -19.931 38.923 2.004 1.00 60.64 ? 300 GLU c N 1 +ATOM 34729 C CA . GLU U 3 282 ? -19.683 40.334 2.324 1.00 67.60 ? 300 GLU c CA 1 +ATOM 34730 C C . GLU U 3 282 ? -18.692 40.486 3.470 1.00 61.42 ? 300 GLU c C 1 +ATOM 34731 O O . GLU U 3 282 ? -17.868 41.407 3.469 1.00 59.71 ? 300 GLU c O 1 +ATOM 34732 C CB . GLU U 3 282 ? -20.983 41.039 2.719 1.00 67.55 ? 300 GLU c CB 1 +ATOM 34733 C CG . GLU U 3 282 ? -22.068 41.052 1.684 1.00 67.33 ? 300 GLU c CG 1 +ATOM 34734 C CD . GLU U 3 282 ? -22.992 39.873 1.816 1.00 70.60 ? 300 GLU c CD 1 +ATOM 34735 O OE1 . GLU U 3 282 ? -22.487 38.743 1.940 1.00 68.98 ? 300 GLU c OE1 1 +ATOM 34736 O OE2 . GLU U 3 282 ? -24.222 40.072 1.799 1.00 71.27 ? 300 GLU c OE2 1 +ATOM 34737 N N . PHE U 3 283 ? -18.777 39.613 4.477 1.00 52.60 ? 301 PHE c N 1 +ATOM 34738 C CA . PHE U 3 283 ? -17.913 39.757 5.642 1.00 55.90 ? 301 PHE c CA 1 +ATOM 34739 C C . PHE U 3 283 ? -16.663 38.887 5.539 1.00 69.31 ? 301 PHE c C 1 +ATOM 34740 O O . PHE U 3 283 ? -15.557 39.343 5.862 1.00 64.03 ? 301 PHE c O 1 +ATOM 34741 C CB . PHE U 3 283 ? -18.689 39.414 6.918 1.00 56.01 ? 301 PHE c CB 1 +ATOM 34742 C CG . PHE U 3 283 ? -19.986 40.179 7.077 1.00 60.00 ? 301 PHE c CG 1 +ATOM 34743 C CD1 . PHE U 3 283 ? -20.073 41.518 6.745 1.00 60.03 ? 301 PHE c CD1 1 +ATOM 34744 C CD2 . PHE U 3 283 ? -21.122 39.540 7.559 1.00 74.92 ? 301 PHE c CD2 1 +ATOM 34745 C CE1 . PHE U 3 283 ? -21.268 42.206 6.889 1.00 73.18 ? 301 PHE c CE1 1 +ATOM 34746 C CE2 . PHE U 3 283 ? -22.320 40.231 7.712 1.00 63.84 ? 301 PHE c CE2 1 +ATOM 34747 C CZ . PHE U 3 283 ? -22.393 41.559 7.373 1.00 62.26 ? 301 PHE c CZ 1 +ATOM 34748 N N . TYR U 3 284 ? -16.803 37.646 5.070 1.00 58.68 ? 302 TYR c N 1 +ATOM 34749 C CA . TYR U 3 284 ? -15.685 36.712 5.045 1.00 60.96 ? 302 TYR c CA 1 +ATOM 34750 C C . TYR U 3 284 ? -14.982 36.593 3.696 1.00 65.57 ? 302 TYR c C 1 +ATOM 34751 O O . TYR U 3 284 ? -13.955 35.906 3.622 1.00 61.07 ? 302 TYR c O 1 +ATOM 34752 C CB . TYR U 3 284 ? -16.159 35.323 5.465 1.00 54.40 ? 302 TYR c CB 1 +ATOM 34753 C CG . TYR U 3 284 ? -16.608 35.218 6.898 1.00 59.00 ? 302 TYR c CG 1 +ATOM 34754 C CD1 . TYR U 3 284 ? -15.692 34.956 7.916 1.00 64.69 ? 302 TYR c CD1 1 +ATOM 34755 C CD2 . TYR U 3 284 ? -17.950 35.362 7.238 1.00 66.37 ? 302 TYR c CD2 1 +ATOM 34756 C CE1 . TYR U 3 284 ? -16.102 34.831 9.254 1.00 54.25 ? 302 TYR c CE1 1 +ATOM 34757 C CE2 . TYR U 3 284 ? -18.371 35.237 8.561 1.00 67.47 ? 302 TYR c CE2 1 +ATOM 34758 C CZ . TYR U 3 284 ? -17.442 34.971 9.559 1.00 65.95 ? 302 TYR c CZ 1 +ATOM 34759 O OH . TYR U 3 284 ? -17.867 34.856 10.851 1.00 62.87 ? 302 TYR c OH 1 +ATOM 34760 N N A GLY U 3 285 ? -15.494 37.240 2.645 0.40 56.04 ? 303 GLY c N 1 +ATOM 34761 N N B GLY U 3 285 ? -15.491 37.227 2.643 0.60 56.05 ? 303 GLY c N 1 +ATOM 34762 C CA A GLY U 3 285 ? -14.951 37.066 1.315 0.40 53.07 ? 303 GLY c CA 1 +ATOM 34763 C CA B GLY U 3 285 ? -14.951 37.039 1.315 0.60 53.00 ? 303 GLY c CA 1 +ATOM 34764 C C A GLY U 3 285 ? -15.688 35.964 0.581 0.40 52.29 ? 303 GLY c C 1 +ATOM 34765 C C B GLY U 3 285 ? -15.715 35.967 0.565 0.60 52.20 ? 303 GLY c C 1 +ATOM 34766 O O A GLY U 3 285 ? -16.462 35.207 1.171 0.40 55.30 ? 303 GLY c O 1 +ATOM 34767 O O B GLY U 3 285 ? -16.508 35.214 1.145 0.60 55.33 ? 303 GLY c O 1 +ATOM 34768 N N A PRO U 3 286 ? -15.478 35.857 -0.725 0.40 57.04 ? 304 PRO c N 1 +ATOM 34769 N N B PRO U 3 286 ? -15.499 35.871 -0.741 0.60 57.08 ? 304 PRO c N 1 +ATOM 34770 C CA A PRO U 3 286 ? -16.141 34.791 -1.479 0.40 57.34 ? 304 PRO c CA 1 +ATOM 34771 C CA B PRO U 3 286 ? -16.146 34.802 -1.501 0.60 57.34 ? 304 PRO c CA 1 +ATOM 34772 C C A PRO U 3 286 ? -15.542 33.435 -1.133 0.40 56.95 ? 304 PRO c C 1 +ATOM 34773 C C B PRO U 3 286 ? -15.533 33.457 -1.147 0.60 57.06 ? 304 PRO c C 1 +ATOM 34774 O O A PRO U 3 286 ? -14.373 33.330 -0.758 0.40 52.09 ? 304 PRO c O 1 +ATOM 34775 O O B PRO U 3 286 ? -14.350 33.362 -0.812 0.60 52.01 ? 304 PRO c O 1 +ATOM 34776 C CB A PRO U 3 286 ? -15.865 35.173 -2.938 0.40 61.01 ? 304 PRO c CB 1 +ATOM 34777 C CB B PRO U 3 286 ? -15.862 35.186 -2.960 0.60 61.15 ? 304 PRO c CB 1 +ATOM 34778 C CG A PRO U 3 286 ? -14.534 35.874 -2.878 0.40 51.81 ? 304 PRO c CG 1 +ATOM 34779 C CG B PRO U 3 286 ? -14.549 35.908 -2.895 0.60 51.68 ? 304 PRO c CG 1 +ATOM 34780 C CD A PRO U 3 286 ? -14.531 36.622 -1.559 0.40 57.93 ? 304 PRO c CD 1 +ATOM 34781 C CD B PRO U 3 286 ? -14.557 36.649 -1.569 0.60 58.00 ? 304 PRO c CD 1 +ATOM 34782 N N A THR U 3 287 ? -16.365 32.392 -1.241 0.40 54.42 ? 305 THR c N 1 +ATOM 34783 N N B THR U 3 287 ? -16.360 32.413 -1.196 0.60 54.31 ? 305 THR c N 1 +ATOM 34784 C CA A THR U 3 287 ? -15.826 31.046 -1.177 0.40 53.20 ? 305 THR c CA 1 +ATOM 34785 C CA B THR U 3 287 ? -15.820 31.064 -1.147 0.60 53.15 ? 305 THR c CA 1 +ATOM 34786 C C A THR U 3 287 ? -15.021 30.739 -2.441 0.40 53.66 ? 305 THR c C 1 +ATOM 34787 C C B THR U 3 287 ? -14.997 30.777 -2.403 0.60 53.67 ? 305 THR c C 1 +ATOM 34788 O O A THR U 3 287 ? -15.103 31.439 -3.458 0.40 54.31 ? 305 THR c O 1 +ATOM 34789 O O B THR U 3 287 ? -15.052 31.503 -3.404 0.60 54.41 ? 305 THR c O 1 +ATOM 34790 C CB A THR U 3 287 ? -16.935 30.003 -1.024 0.40 57.03 ? 305 THR c CB 1 +ATOM 34791 C CB B THR U 3 287 ? -16.930 30.019 -1.035 0.60 57.14 ? 305 THR c CB 1 +ATOM 34792 O OG1 A THR U 3 287 ? -17.602 29.822 -2.281 0.40 53.77 ? 305 THR c OG1 1 +ATOM 34793 O OG1 B THR U 3 287 ? -17.572 29.875 -2.309 0.60 53.80 ? 305 THR c OG1 1 +ATOM 34794 C CG2 A THR U 3 287 ? -17.950 30.415 0.045 0.40 55.01 ? 305 THR c CG2 1 +ATOM 34795 C CG2 B THR U 3 287 ? -17.962 30.404 0.022 0.60 55.02 ? 305 THR c CG2 1 +ATOM 34796 N N A GLY U 3 288 ? -14.229 29.671 -2.362 0.40 57.18 ? 306 GLY c N 1 +ATOM 34797 N N B GLY U 3 288 ? -14.222 29.694 -2.337 0.60 57.40 ? 306 GLY c N 1 +ATOM 34798 C CA A GLY U 3 288 ? -13.473 29.183 -3.491 0.40 50.84 ? 306 GLY c CA 1 +ATOM 34799 C CA B GLY U 3 288 ? -13.467 29.210 -3.470 0.60 50.79 ? 306 GLY c CA 1 +ATOM 34800 C C A GLY U 3 288 ? -14.353 28.914 -4.696 0.40 52.63 ? 306 GLY c C 1 +ATOM 34801 C C B GLY U 3 288 ? -14.336 28.925 -4.680 0.60 52.72 ? 306 GLY c C 1 +ATOM 34802 O O A GLY U 3 288 ? -14.090 29.406 -5.799 0.40 48.81 ? 306 GLY c O 1 +ATOM 34803 O O B GLY U 3 288 ? -14.071 29.412 -5.789 0.60 48.79 ? 306 GLY c O 1 +ATOM 34804 N N A PRO U 3 289 ? -15.413 28.112 -4.519 0.40 51.42 ? 307 PRO c N 1 +ATOM 34805 N N B PRO U 3 289 ? -15.386 28.113 -4.502 0.60 51.50 ? 307 PRO c N 1 +ATOM 34806 C CA A PRO U 3 289 ? -16.365 27.948 -5.628 0.40 47.15 ? 307 PRO c CA 1 +ATOM 34807 C CA B PRO U 3 289 ? -16.351 27.952 -5.603 0.60 46.98 ? 307 PRO c CA 1 +ATOM 34808 C C A PRO U 3 289 ? -16.873 29.278 -6.140 0.40 55.93 ? 307 PRO c C 1 +ATOM 34809 C C B PRO U 3 289 ? -16.856 29.285 -6.127 0.60 56.08 ? 307 PRO c C 1 +ATOM 34810 O O A PRO U 3 289 ? -16.944 29.494 -7.357 0.40 53.41 ? 307 PRO c O 1 +ATOM 34811 O O B PRO U 3 289 ? -16.941 29.484 -7.349 0.60 53.46 ? 307 PRO c O 1 +ATOM 34812 C CB A PRO U 3 289 ? -17.491 27.106 -5.013 0.40 51.45 ? 307 PRO c CB 1 +ATOM 34813 C CB B PRO U 3 289 ? -17.474 27.121 -4.968 0.60 51.54 ? 307 PRO c CB 1 +ATOM 34814 C CG A PRO U 3 289 ? -16.822 26.332 -3.888 0.40 48.97 ? 307 PRO c CG 1 +ATOM 34815 C CG B PRO U 3 289 ? -16.795 26.332 -3.877 0.60 48.93 ? 307 PRO c CG 1 +ATOM 34816 C CD A PRO U 3 289 ? -15.748 27.254 -3.356 0.40 48.47 ? 307 PRO c CD 1 +ATOM 34817 C CD B PRO U 3 289 ? -15.684 27.224 -3.357 0.60 48.35 ? 307 PRO c CD 1 +ATOM 34818 N N A GLU U 3 290 ? -17.186 30.199 -5.224 0.40 52.33 ? 308 GLU c N 1 +ATOM 34819 N N B GLU U 3 290 ? -17.135 30.229 -5.219 0.60 52.33 ? 308 GLU c N 1 +ATOM 34820 C CA A GLU U 3 290 ? -17.771 31.486 -5.597 0.40 49.68 ? 308 GLU c CA 1 +ATOM 34821 C CA B GLU U 3 290 ? -17.725 31.511 -5.600 0.60 49.55 ? 308 GLU c CA 1 +ATOM 34822 C C A GLU U 3 290 ? -16.822 32.306 -6.461 0.40 50.48 ? 308 GLU c C 1 +ATOM 34823 C C B GLU U 3 290 ? -16.765 32.339 -6.443 0.60 50.45 ? 308 GLU c C 1 +ATOM 34824 O O A GLU U 3 290 ? -17.219 32.847 -7.499 0.40 53.96 ? 308 GLU c O 1 +ATOM 34825 O O B GLU U 3 290 ? -17.157 32.908 -7.470 0.60 54.09 ? 308 GLU c O 1 +ATOM 34826 C CB A GLU U 3 290 ? -18.146 32.256 -4.330 0.40 52.08 ? 308 GLU c CB 1 +ATOM 34827 C CB B GLU U 3 290 ? -18.128 32.276 -4.339 0.60 52.01 ? 308 GLU c CB 1 +ATOM 34828 C CG A GLU U 3 290 ? -18.772 33.633 -4.539 0.40 60.20 ? 308 GLU c CG 1 +ATOM 34829 C CG B GLU U 3 290 ? -18.786 33.622 -4.561 0.60 60.27 ? 308 GLU c CG 1 +ATOM 34830 C CD A GLU U 3 290 ? -19.541 34.069 -3.295 0.40 67.25 ? 308 GLU c CD 1 +ATOM 34831 C CD B GLU U 3 290 ? -19.572 34.050 -3.330 0.60 67.56 ? 308 GLU c CD 1 +ATOM 34832 O OE1 A GLU U 3 290 ? -19.074 33.764 -2.177 0.40 59.06 ? 308 GLU c OE1 1 +ATOM 34833 O OE1 B GLU U 3 290 ? -19.167 33.664 -2.206 0.60 59.17 ? 308 GLU c OE1 1 +ATOM 34834 O OE2 A GLU U 3 290 ? -20.626 34.665 -3.432 0.40 61.84 ? 308 GLU c OE2 1 +ATOM 34835 O OE2 B GLU U 3 290 ? -20.605 34.735 -3.486 0.60 61.99 ? 308 GLU c OE2 1 +ATOM 34836 N N A ALA U 3 291 ? -15.565 32.428 -6.040 0.40 51.09 ? 309 ALA c N 1 +ATOM 34837 N N B ALA U 3 291 ? -15.507 32.436 -6.015 0.60 51.07 ? 309 ALA c N 1 +ATOM 34838 C CA A ALA U 3 291 ? -14.622 33.236 -6.803 0.40 50.11 ? 309 ALA c CA 1 +ATOM 34839 C CA B ALA U 3 291 ? -14.530 33.208 -6.772 0.60 49.99 ? 309 ALA c CA 1 +ATOM 34840 C C A ALA U 3 291 ? -14.382 32.652 -8.187 0.40 59.40 ? 309 ALA c C 1 +ATOM 34841 C C B ALA U 3 291 ? -14.306 32.607 -8.151 0.60 59.61 ? 309 ALA c C 1 +ATOM 34842 O O A ALA U 3 291 ? -14.207 33.396 -9.157 0.40 53.98 ? 309 ALA c O 1 +ATOM 34843 O O B ALA U 3 291 ? -14.099 33.333 -9.130 0.60 53.88 ? 309 ALA c O 1 +ATOM 34844 C CB A ALA U 3 291 ? -13.304 33.362 -6.045 0.40 48.22 ? 309 ALA c CB 1 +ATOM 34845 C CB B ALA U 3 291 ? -13.210 33.282 -6.008 0.60 47.87 ? 309 ALA c CB 1 +ATOM 34846 N N A SER U 3 292 ? -14.394 31.322 -8.296 0.40 59.56 ? 310 SER c N 1 +ATOM 34847 N N B SER U 3 292 ? -14.344 31.278 -8.246 0.60 59.83 ? 310 SER c N 1 +ATOM 34848 C CA A SER U 3 292 ? -14.160 30.679 -9.577 0.40 54.76 ? 310 SER c CA 1 +ATOM 34849 C CA B SER U 3 292 ? -14.135 30.632 -9.530 0.60 54.84 ? 310 SER c CA 1 +ATOM 34850 C C A SER U 3 292 ? -15.335 30.908 -10.524 0.40 52.99 ? 310 SER c C 1 +ATOM 34851 C C B SER U 3 292 ? -15.302 30.899 -10.472 0.60 52.95 ? 310 SER c C 1 +ATOM 34852 O O A SER U 3 292 ? -15.136 31.235 -11.702 0.40 55.36 ? 310 SER c O 1 +ATOM 34853 O O B SER U 3 292 ? -15.095 31.212 -11.652 0.60 55.45 ? 310 SER c O 1 +ATOM 34854 C CB A SER U 3 292 ? -13.889 29.188 -9.343 0.40 50.31 ? 310 SER c CB 1 +ATOM 34855 C CB B SER U 3 292 ? -13.925 29.131 -9.318 0.60 50.16 ? 310 SER c CB 1 +ATOM 34856 O OG A SER U 3 292 ? -14.028 28.428 -10.523 0.40 52.24 ? 310 SER c OG 1 +ATOM 34857 O OG B SER U 3 292 ? -13.837 28.455 -10.555 0.60 52.60 ? 310 SER c OG 1 +ATOM 34858 N N A GLN U 3 293 ? -16.566 30.753 -10.027 0.40 53.92 ? 311 GLN c N 1 +ATOM 34859 N N B GLN U 3 293 ? -16.535 30.783 -9.972 0.60 53.94 ? 311 GLN c N 1 +ATOM 34860 C CA A GLN U 3 293 ? -17.740 31.096 -10.831 0.40 55.31 ? 311 GLN c CA 1 +ATOM 34861 C CA B GLN U 3 293 ? -17.697 31.107 -10.797 0.60 55.44 ? 311 GLN c CA 1 +ATOM 34862 C C A GLN U 3 293 ? -17.729 32.569 -11.229 0.40 60.31 ? 311 GLN c C 1 +ATOM 34863 C C B GLN U 3 293 ? -17.691 32.579 -11.202 0.60 60.49 ? 311 GLN c C 1 +ATOM 34864 O O A GLN U 3 293 ? -18.085 32.921 -12.361 0.40 57.81 ? 311 GLN c O 1 +ATOM 34865 O O B GLN U 3 293 ? -18.021 32.916 -12.347 0.60 57.94 ? 311 GLN c O 1 +ATOM 34866 C CB A GLN U 3 293 ? -19.014 30.778 -10.055 0.40 51.57 ? 311 GLN c CB 1 +ATOM 34867 C CB B GLN U 3 293 ? -18.987 30.760 -10.055 0.60 51.56 ? 311 GLN c CB 1 +ATOM 34868 C CG A GLN U 3 293 ? -19.162 29.309 -9.701 0.40 49.98 ? 311 GLN c CG 1 +ATOM 34869 C CG B GLN U 3 293 ? -19.138 29.283 -9.700 0.60 49.82 ? 311 GLN c CG 1 +ATOM 34870 C CD A GLN U 3 293 ? -19.917 28.554 -10.761 0.40 56.45 ? 311 GLN c CD 1 +ATOM 34871 C CD B GLN U 3 293 ? -19.863 28.489 -10.774 0.60 56.56 ? 311 GLN c CD 1 +ATOM 34872 O OE1 A GLN U 3 293 ? -21.142 28.664 -10.856 0.40 51.82 ? 311 GLN c OE1 1 +ATOM 34873 O OE1 B GLN U 3 293 ? -21.088 28.553 -10.890 0.60 51.78 ? 311 GLN c OE1 1 +ATOM 34874 N NE2 A GLN U 3 293 ? -19.198 27.784 -11.572 0.40 54.29 ? 311 GLN c NE2 1 +ATOM 34875 N NE2 B GLN U 3 293 ? -19.107 27.729 -11.560 0.60 54.31 ? 311 GLN c NE2 1 +ATOM 34876 N N A ALA U 3 294 ? -17.309 33.444 -10.311 0.40 52.39 ? 312 ALA c N 1 +ATOM 34877 N N B ALA U 3 294 ? -17.300 33.469 -10.278 0.60 52.34 ? 312 ALA c N 1 +ATOM 34878 C CA A ALA U 3 294 ? -17.294 34.869 -10.598 0.40 47.66 ? 312 ALA c CA 1 +ATOM 34879 C CA B ALA U 3 294 ? -17.260 34.894 -10.582 0.60 47.45 ? 312 ALA c CA 1 +ATOM 34880 C C A ALA U 3 294 ? -16.339 35.204 -11.734 0.40 58.31 ? 312 ALA c C 1 +ATOM 34881 C C B ALA U 3 294 ? -16.332 35.203 -11.746 0.60 58.54 ? 312 ALA c C 1 +ATOM 34882 O O A ALA U 3 294 ? -16.575 36.169 -12.473 0.40 53.83 ? 312 ALA c O 1 +ATOM 34883 O O B ALA U 3 294 ? -16.593 36.146 -12.507 0.60 53.85 ? 312 ALA c O 1 +ATOM 34884 C CB A ALA U 3 294 ? -16.916 35.653 -9.344 0.40 47.83 ? 312 ALA c CB 1 +ATOM 34885 C CB B ALA U 3 294 ? -16.822 35.687 -9.354 0.60 47.62 ? 312 ALA c CB 1 +ATOM 34886 N N A GLN U 3 295 ? -15.251 34.437 -11.894 0.40 57.30 ? 313 GLN c N 1 +ATOM 34887 N N B GLN U 3 295 ? -15.244 34.437 -11.909 0.60 57.37 ? 313 GLN c N 1 +ATOM 34888 C CA A GLN U 3 295 ? -14.361 34.709 -13.022 0.40 60.21 ? 313 GLN c CA 1 +ATOM 34889 C CA B GLN U 3 295 ? -14.345 34.706 -13.032 0.60 60.38 ? 313 GLN c CA 1 +ATOM 34890 C C A GLN U 3 295 ? -15.043 34.378 -14.344 0.40 54.20 ? 313 GLN c C 1 +ATOM 34891 C C B GLN U 3 295 ? -15.017 34.375 -14.359 0.60 54.12 ? 313 GLN c C 1 +ATOM 34892 O O A GLN U 3 295 ? -14.947 35.145 -15.306 0.40 56.42 ? 313 GLN c O 1 +ATOM 34893 O O B GLN U 3 295 ? -14.930 35.146 -15.321 0.60 56.53 ? 313 GLN c O 1 +ATOM 34894 C CB A GLN U 3 295 ? -13.052 33.931 -12.905 0.40 55.11 ? 313 GLN c CB 1 +ATOM 34895 C CB B GLN U 3 295 ? -13.038 33.926 -12.904 0.60 55.12 ? 313 GLN c CB 1 +ATOM 34896 C CG A GLN U 3 295 ? -12.204 34.006 -14.194 0.40 51.20 ? 313 GLN c CG 1 +ATOM 34897 C CG B GLN U 3 295 ? -12.172 34.060 -14.170 0.60 51.11 ? 313 GLN c CG 1 +ATOM 34898 C CD A GLN U 3 295 ? -10.851 33.315 -14.077 0.40 55.59 ? 313 GLN c CD 1 +ATOM 34899 C CD B GLN U 3 295 ? -10.841 33.330 -14.089 0.60 55.73 ? 313 GLN c CD 1 +ATOM 34900 O OE1 A GLN U 3 295 ? -9.814 33.918 -14.357 0.40 54.27 ? 313 GLN c OE1 1 +ATOM 34901 O OE1 B GLN U 3 295 ? -9.790 33.920 -14.345 0.60 54.38 ? 313 GLN c OE1 1 +ATOM 34902 N NE2 A GLN U 3 295 ? -10.860 32.037 -13.682 0.40 49.07 ? 313 GLN c NE2 1 +ATOM 34903 N NE2 B GLN U 3 295 ? -10.880 32.037 -13.759 0.60 48.96 ? 313 GLN c NE2 1 +ATOM 34904 N N A ALA U 3 296 ? -15.720 33.232 -14.414 0.40 54.17 ? 314 ALA c N 1 +ATOM 34905 N N B ALA U 3 296 ? -15.665 33.211 -14.436 0.60 54.18 ? 314 ALA c N 1 +ATOM 34906 C CA A ALA U 3 296 ? -16.463 32.895 -15.621 0.40 56.62 ? 314 ALA c CA 1 +ATOM 34907 C CA B ALA U 3 296 ? -16.420 32.862 -15.631 0.60 56.64 ? 314 ALA c CA 1 +ATOM 34908 C C A ALA U 3 296 ? -17.466 33.997 -15.952 0.40 57.23 ? 314 ALA c C 1 +ATOM 34909 C C B ALA U 3 296 ? -17.425 33.957 -15.963 0.60 57.25 ? 314 ALA c C 1 +ATOM 34910 O O A ALA U 3 296 ? -17.561 34.441 -17.101 0.40 59.30 ? 314 ALA c O 1 +ATOM 34911 O O B ALA U 3 296 ? -17.525 34.401 -17.114 0.60 59.39 ? 314 ALA c O 1 +ATOM 34912 C CB A ALA U 3 296 ? -17.167 31.543 -15.451 0.40 47.97 ? 314 ALA c CB 1 +ATOM 34913 C CB B ALA U 3 296 ? -17.123 31.517 -15.432 0.60 47.73 ? 314 ALA c CB 1 +ATOM 34914 N N A MET U 3 297 ? -18.198 34.472 -14.938 0.40 54.22 ? 315 MET c N 1 +ATOM 34915 N N B MET U 3 297 ? -18.160 34.421 -14.946 0.60 54.15 ? 315 MET c N 1 +ATOM 34916 C CA A MET U 3 297 ? -19.178 35.534 -15.140 0.40 57.03 ? 315 MET c CA 1 +ATOM 34917 C CA B MET U 3 297 ? -19.151 35.476 -15.133 0.60 57.06 ? 315 MET c CA 1 +ATOM 34918 C C A MET U 3 297 ? -18.512 36.810 -15.630 0.40 58.47 ? 315 MET c C 1 +ATOM 34919 C C B MET U 3 297 ? -18.502 36.765 -15.614 0.60 58.54 ? 315 MET c C 1 +ATOM 34920 O O A MET U 3 297 ? -19.005 37.472 -16.553 0.40 56.09 ? 315 MET c O 1 +ATOM 34921 O O B MET U 3 297 ? -19.018 37.431 -16.521 0.60 56.14 ? 315 MET c O 1 +ATOM 34922 C CB A MET U 3 297 ? -19.924 35.790 -13.834 0.40 55.42 ? 315 MET c CB 1 +ATOM 34923 C CB B MET U 3 297 ? -19.899 35.713 -13.825 0.60 55.33 ? 315 MET c CB 1 +ATOM 34924 C CG A MET U 3 297 ? -20.802 37.021 -13.844 0.40 63.00 ? 315 MET c CG 1 +ATOM 34925 C CG B MET U 3 297 ? -20.710 36.992 -13.783 0.60 63.08 ? 315 MET c CG 1 +ATOM 34926 S SD A MET U 3 297 ? -22.550 36.613 -13.812 0.40 73.91 ? 315 MET c SD 1 +ATOM 34927 S SD B MET U 3 297 ? -22.480 36.674 -13.726 0.60 74.47 ? 315 MET c SD 1 +ATOM 34928 C CE A MET U 3 297 ? -22.790 36.180 -15.530 0.40 75.50 ? 315 MET c CE 1 +ATOM 34929 C CE B MET U 3 297 ? -22.743 36.023 -15.363 0.60 75.47 ? 315 MET c CE 1 +ATOM 34930 N N A THR U 3 298 ? -17.378 37.161 -15.028 0.40 53.88 ? 316 THR c N 1 +ATOM 34931 N N B THR U 3 298 ? -17.365 37.126 -15.018 0.60 53.87 ? 316 THR c N 1 +ATOM 34932 C CA A THR U 3 298 ? -16.663 38.366 -15.412 0.40 52.35 ? 316 THR c CA 1 +ATOM 34933 C CA B THR U 3 298 ? -16.686 38.358 -15.386 0.60 52.17 ? 316 THR c CA 1 +ATOM 34934 C C A THR U 3 298 ? -16.308 38.357 -16.897 0.40 57.05 ? 316 THR c C 1 +ATOM 34935 C C B THR U 3 298 ? -16.330 38.381 -16.871 0.60 57.14 ? 316 THR c C 1 +ATOM 34936 O O A THR U 3 298 ? -16.491 39.363 -17.596 0.40 55.60 ? 316 THR c O 1 +ATOM 34937 O O B THR U 3 298 ? -16.543 39.390 -17.551 0.60 55.69 ? 316 THR c O 1 +ATOM 34938 C CB A THR U 3 298 ? -15.422 38.500 -14.532 0.40 55.50 ? 316 THR c CB 1 +ATOM 34939 C CB B THR U 3 298 ? -15.446 38.537 -14.513 0.60 55.55 ? 316 THR c CB 1 +ATOM 34940 O OG1 A THR U 3 298 ? -15.837 38.779 -13.189 0.40 55.49 ? 316 THR c OG1 1 +ATOM 34941 O OG1 B THR U 3 298 ? -15.858 38.728 -13.152 0.60 55.48 ? 316 THR c OG1 1 +ATOM 34942 C CG2 A THR U 3 298 ? -14.501 39.608 -15.016 0.40 51.86 ? 316 THR c CG2 1 +ATOM 34943 C CG2 B THR U 3 298 ? -14.622 39.739 -14.961 0.60 51.42 ? 316 THR c CG2 1 +ATOM 34944 N N A PHE U 3 299 ? -15.825 37.230 -17.409 0.40 60.13 ? 317 PHE c N 1 +ATOM 34945 N N B PHE U 3 299 ? -15.820 37.273 -17.401 0.60 60.29 ? 317 PHE c N 1 +ATOM 34946 C CA A PHE U 3 299 ? -15.400 37.231 -18.794 0.40 58.18 ? 317 PHE c CA 1 +ATOM 34947 C CA B PHE U 3 299 ? -15.403 37.260 -18.792 0.60 58.22 ? 317 PHE c CA 1 +ATOM 34948 C C A PHE U 3 299 ? -16.539 36.944 -19.753 0.40 57.23 ? 317 PHE c C 1 +ATOM 34949 C C B PHE U 3 299 ? -16.539 36.942 -19.753 0.60 57.26 ? 317 PHE c C 1 +ATOM 34950 O O A PHE U 3 299 ? -16.487 37.409 -20.892 0.40 55.63 ? 317 PHE c O 1 +ATOM 34951 O O B PHE U 3 299 ? -16.450 37.313 -20.925 0.60 55.73 ? 317 PHE c O 1 +ATOM 34952 C CB A PHE U 3 299 ? -14.217 36.279 -18.965 0.40 54.94 ? 317 PHE c CB 1 +ATOM 34953 C CB B PHE U 3 299 ? -14.232 36.291 -18.975 0.60 54.95 ? 317 PHE c CB 1 +ATOM 34954 C CG A PHE U 3 299 ? -12.929 36.889 -18.486 0.40 57.15 ? 317 PHE c CG 1 +ATOM 34955 C CG B PHE U 3 299 ? -12.938 36.862 -18.494 0.60 57.24 ? 317 PHE c CG 1 +ATOM 34956 C CD1 A PHE U 3 299 ? -12.164 37.678 -19.341 0.40 54.89 ? 317 PHE c CD1 1 +ATOM 34957 C CD1 B PHE U 3 299 ? -12.161 37.652 -19.335 0.60 54.84 ? 317 PHE c CD1 1 +ATOM 34958 C CD2 A PHE U 3 299 ? -12.530 36.753 -17.167 0.40 49.82 ? 317 PHE c CD2 1 +ATOM 34959 C CD2 B PHE U 3 299 ? -12.526 36.671 -17.188 0.60 49.48 ? 317 PHE c CD2 1 +ATOM 34960 C CE1 A PHE U 3 299 ? -10.996 38.289 -18.902 0.40 60.40 ? 317 PHE c CE1 1 +ATOM 34961 C CE1 B PHE U 3 299 ? -10.975 38.226 -18.886 0.60 60.55 ? 317 PHE c CE1 1 +ATOM 34962 C CE2 A PHE U 3 299 ? -11.364 37.374 -16.710 0.40 60.56 ? 317 PHE c CE2 1 +ATOM 34963 C CE2 B PHE U 3 299 ? -11.341 37.233 -16.731 0.60 60.79 ? 317 PHE c CE2 1 +ATOM 34964 C CZ A PHE U 3 299 ? -10.594 38.138 -17.575 0.40 55.46 ? 317 PHE c CZ 1 +ATOM 34965 C CZ B PHE U 3 299 ? -10.563 38.016 -17.580 0.60 55.53 ? 317 PHE c CZ 1 +ATOM 34966 N N . LEU U 3 300 ? -17.605 36.288 -19.287 1.00 50.42 ? 318 LEU c N 1 +ATOM 34967 C CA . LEU U 3 300 ? -18.822 36.225 -20.080 1.00 58.35 ? 318 LEU c CA 1 +ATOM 34968 C C . LEU U 3 300 ? -19.355 37.637 -20.337 1.00 72.79 ? 318 LEU c C 1 +ATOM 34969 O O . LEU U 3 300 ? -19.766 37.965 -21.460 1.00 66.81 ? 318 LEU c O 1 +ATOM 34970 C CB . LEU U 3 300 ? -19.874 35.367 -19.372 1.00 49.25 ? 318 LEU c CB 1 +ATOM 34971 C CG . LEU U 3 300 ? -21.153 35.048 -20.163 1.00 61.77 ? 318 LEU c CG 1 +ATOM 34972 C CD1 . LEU U 3 300 ? -21.815 33.778 -19.663 1.00 55.42 ? 318 LEU c CD1 1 +ATOM 34973 C CD2 . LEU U 3 300 ? -22.155 36.191 -20.104 1.00 67.98 ? 318 LEU c CD2 1 +ATOM 34974 N N . ILE U 3 301 ? -19.331 38.487 -19.306 1.00 62.63 ? 319 ILE c N 1 +ATOM 34975 C CA . ILE U 3 301 ? -19.820 39.858 -19.427 1.00 60.36 ? 319 ILE c CA 1 +ATOM 34976 C C . ILE U 3 301 ? -18.924 40.670 -20.354 1.00 64.11 ? 319 ILE c C 1 +ATOM 34977 O O . ILE U 3 301 ? -19.409 41.388 -21.239 1.00 57.35 ? 319 ILE c O 1 +ATOM 34978 C CB . ILE U 3 301 ? -19.928 40.509 -18.034 1.00 64.81 ? 319 ILE c CB 1 +ATOM 34979 C CG1 . ILE U 3 301 ? -21.086 39.900 -17.231 1.00 57.82 ? 319 ILE c CG1 1 +ATOM 34980 C CG2 . ILE U 3 301 ? -20.069 42.032 -18.151 1.00 63.72 ? 319 ILE c CG2 1 +ATOM 34981 C CD1 . ILE U 3 301 ? -21.090 40.292 -15.746 1.00 63.59 ? 319 ILE c CD1 1 +ATOM 34982 N N . ARG U 3 302 ? -17.604 40.580 -20.164 1.00 58.20 ? 320 ARG c N 1 +ATOM 34983 C CA . ARG U 3 302 ? -16.704 41.379 -20.988 1.00 60.15 ? 320 ARG c CA 1 +ATOM 34984 C C . ARG U 3 302 ? -16.837 41.009 -22.459 1.00 65.24 ? 320 ARG c C 1 +ATOM 34985 O O . ARG U 3 302 ? -16.877 41.886 -23.330 1.00 64.12 ? 320 ARG c O 1 +ATOM 34986 C CB . ARG U 3 302 ? -15.258 41.212 -20.532 1.00 51.23 ? 320 ARG c CB 1 +ATOM 34987 C CG . ARG U 3 302 ? -14.310 42.030 -21.380 1.00 56.13 ? 320 ARG c CG 1 +ATOM 34988 C CD . ARG U 3 302 ? -12.872 41.561 -21.317 1.00 63.62 ? 320 ARG c CD 1 +ATOM 34989 N NE . ARG U 3 302 ? -12.633 40.361 -22.115 1.00 59.38 ? 320 ARG c NE 1 +ATOM 34990 C CZ . ARG U 3 302 ? -11.431 39.966 -22.515 1.00 62.22 ? 320 ARG c CZ 1 +ATOM 34991 N NH1 . ARG U 3 302 ? -10.342 40.661 -22.222 1.00 57.52 ? 320 ARG c NH1 1 +ATOM 34992 N NH2 . ARG U 3 302 ? -11.320 38.858 -23.242 1.00 55.82 ? 320 ARG c NH2 1 +ATOM 34993 N N . ASP U 3 303 ? -16.927 39.713 -22.755 1.00 62.45 ? 321 ASP c N 1 +ATOM 34994 C CA . ASP U 3 303 ? -16.954 39.289 -24.144 1.00 57.75 ? 321 ASP c CA 1 +ATOM 34995 C C . ASP U 3 303 ? -18.325 39.507 -24.776 1.00 61.51 ? 321 ASP c C 1 +ATOM 34996 O O . ASP U 3 303 ? -18.407 39.805 -25.972 1.00 57.44 ? 321 ASP c O 1 +ATOM 34997 C CB . ASP U 3 303 ? -16.517 37.820 -24.246 1.00 53.51 ? 321 ASP c CB 1 +ATOM 34998 C CG . ASP U 3 303 ? -15.045 37.616 -23.858 1.00 55.52 ? 321 ASP c CG 1 +ATOM 34999 O OD1 . ASP U 3 303 ? -14.359 38.615 -23.531 1.00 56.71 ? 321 ASP c OD1 1 +ATOM 35000 O OD2 . ASP U 3 303 ? -14.573 36.460 -23.896 1.00 53.90 ? 321 ASP c OD2 1 +ATOM 35001 N N . GLN U 3 304 ? -19.405 39.363 -24.007 1.00 51.86 ? 322 GLN c N 1 +ATOM 35002 C CA . GLN U 3 304 ? -20.721 39.659 -24.555 1.00 56.69 ? 322 GLN c CA 1 +ATOM 35003 C C . GLN U 3 304 ? -20.828 41.133 -24.942 1.00 63.98 ? 322 GLN c C 1 +ATOM 35004 O O . GLN U 3 304 ? -21.411 41.470 -25.980 1.00 61.43 ? 322 GLN c O 1 +ATOM 35005 C CB . GLN U 3 304 ? -21.806 39.280 -23.551 1.00 58.98 ? 322 GLN c CB 1 +ATOM 35006 C CG . GLN U 3 304 ? -23.213 39.427 -24.083 1.00 65.29 ? 322 GLN c CG 1 +ATOM 35007 C CD . GLN U 3 304 ? -24.259 38.825 -23.170 1.00 63.70 ? 322 GLN c CD 1 +ATOM 35008 O OE1 . GLN U 3 304 ? -24.995 37.916 -23.569 1.00 60.88 ? 322 GLN c OE1 1 +ATOM 35009 N NE2 . GLN U 3 304 ? -24.347 39.339 -21.947 1.00 59.05 ? 322 GLN c NE2 1 +ATOM 35010 N N . LYS U 3 305 ? -20.246 42.021 -24.128 1.00 61.37 ? 323 LYS c N 1 +ATOM 35011 C CA . LYS U 3 305 ? -20.229 43.443 -24.461 1.00 68.49 ? 323 LYS c CA 1 +ATOM 35012 C C . LYS U 3 305 ? -19.478 43.700 -25.753 1.00 69.31 ? 323 LYS c C 1 +ATOM 35013 O O . LYS U 3 305 ? -19.789 44.655 -26.471 1.00 69.77 ? 323 LYS c O 1 +ATOM 35014 C CB . LYS U 3 305 ? -19.590 44.258 -23.341 1.00 56.05 ? 323 LYS c CB 1 +ATOM 35015 C CG . LYS U 3 305 ? -20.426 44.380 -22.069 1.00 65.90 ? 323 LYS c CG 1 +ATOM 35016 C CD . LYS U 3 305 ? -19.712 45.312 -21.078 1.00 58.80 ? 323 LYS c CD 1 +ATOM 35017 C CE . LYS U 3 305 ? -20.477 45.448 -19.765 1.00 62.38 ? 323 LYS c CE 1 +ATOM 35018 N NZ . LYS U 3 305 ? -19.792 46.417 -18.864 1.00 73.35 ? 323 LYS c NZ 1 +ATOM 35019 N N . LEU U 3 306 ? -18.474 42.884 -26.053 1.00 62.52 ? 324 LEU c N 1 +ATOM 35020 C CA . LEU U 3 306 ? -17.728 43.061 -27.285 1.00 60.97 ? 324 LEU c CA 1 +ATOM 35021 C C . LEU U 3 306 ? -18.457 42.488 -28.488 1.00 56.96 ? 324 LEU c C 1 +ATOM 35022 O O . LEU U 3 306 ? -17.956 42.613 -29.603 1.00 60.63 ? 324 LEU c O 1 +ATOM 35023 C CB . LEU U 3 306 ? -16.348 42.426 -27.160 1.00 59.30 ? 324 LEU c CB 1 +ATOM 35024 C CG . LEU U 3 306 ? -15.431 43.129 -26.163 1.00 71.15 ? 324 LEU c CG 1 +ATOM 35025 C CD1 . LEU U 3 306 ? -14.077 42.407 -26.026 1.00 55.72 ? 324 LEU c CD1 1 +ATOM 35026 C CD2 . LEU U 3 306 ? -15.249 44.568 -26.604 1.00 57.40 ? 324 LEU c CD2 1 +ATOM 35027 N N . GLY U 3 307 ? -19.612 41.853 -28.288 1.00 65.06 ? 325 GLY c N 1 +ATOM 35028 C CA . GLY U 3 307 ? -20.388 41.297 -29.373 1.00 61.05 ? 325 GLY c CA 1 +ATOM 35029 C C . GLY U 3 307 ? -20.411 39.788 -29.463 1.00 67.95 ? 325 GLY c C 1 +ATOM 35030 O O . GLY U 3 307 ? -21.052 39.263 -30.377 1.00 68.24 ? 325 GLY c O 1 +ATOM 35031 N N . ALA U 3 308 ? -19.759 39.067 -28.551 1.00 64.49 ? 326 ALA c N 1 +ATOM 35032 C CA . ALA U 3 308 ? -19.764 37.609 -28.605 1.00 59.69 ? 326 ALA c CA 1 +ATOM 35033 C C . ALA U 3 308 ? -21.137 37.039 -28.247 1.00 56.34 ? 326 ALA c C 1 +ATOM 35034 O O . ALA U 3 308 ? -21.803 37.509 -27.322 1.00 63.29 ? 326 ALA c O 1 +ATOM 35035 C CB . ALA U 3 308 ? -18.703 37.038 -27.659 1.00 57.24 ? 326 ALA c CB 1 +ATOM 35036 N N . ASN U 3 309 ? -21.568 36.027 -29.003 1.00 54.06 ? 327 ASN c N 1 +ATOM 35037 C CA . ASN U 3 309 ? -22.739 35.222 -28.653 1.00 54.28 ? 327 ASN c CA 1 +ATOM 35038 C C . ASN U 3 309 ? -22.252 34.116 -27.735 1.00 61.10 ? 327 ASN c C 1 +ATOM 35039 O O . ASN U 3 309 ? -21.684 33.122 -28.192 1.00 55.21 ? 327 ASN c O 1 +ATOM 35040 C CB . ASN U 3 309 ? -23.408 34.647 -29.893 1.00 58.68 ? 327 ASN c CB 1 +ATOM 35041 C CG . ASN U 3 309 ? -23.979 35.724 -30.797 1.00 64.99 ? 327 ASN c CG 1 +ATOM 35042 O OD1 . ASN U 3 309 ? -24.368 36.785 -30.332 1.00 77.90 ? 327 ASN c OD1 1 +ATOM 35043 N ND2 . ASN U 3 309 ? -24.025 35.455 -32.092 1.00 70.31 ? 327 ASN c ND2 1 +ATOM 35044 N N . VAL U 3 310 ? -22.444 34.304 -26.429 1.00 58.10 ? 328 VAL c N 1 +ATOM 35045 C CA . VAL U 3 310 ? -21.773 33.441 -25.470 1.00 60.10 ? 328 VAL c CA 1 +ATOM 35046 C C . VAL U 3 310 ? -22.424 32.069 -25.403 1.00 60.06 ? 328 VAL c C 1 +ATOM 35047 O O . VAL U 3 310 ? -21.762 31.097 -25.022 1.00 67.31 ? 328 VAL c O 1 +ATOM 35048 C CB . VAL U 3 310 ? -21.715 34.112 -24.081 1.00 59.28 ? 328 VAL c CB 1 +ATOM 35049 C CG1 . VAL U 3 310 ? -20.777 35.319 -24.120 1.00 53.46 ? 328 VAL c CG1 1 +ATOM 35050 C CG2 . VAL U 3 310 ? -23.098 34.517 -23.624 1.00 56.72 ? 328 VAL c CG2 1 +ATOM 35051 N N . GLY U 3 311 ? -23.696 31.956 -25.788 1.00 55.61 ? 329 GLY c N 1 +ATOM 35052 C CA . GLY U 3 311 ? -24.386 30.677 -25.745 1.00 51.25 ? 329 GLY c CA 1 +ATOM 35053 C C . GLY U 3 311 ? -23.953 29.703 -26.819 1.00 66.80 ? 329 GLY c C 1 +ATOM 35054 O O . GLY U 3 311 ? -24.155 28.492 -26.663 1.00 61.06 ? 329 GLY c O 1 +ATOM 35055 N N . SER U 3 312 ? -23.355 30.197 -27.899 1.00 53.16 ? 330 SER c N 1 +ATOM 35056 C CA . SER U 3 312 ? -22.993 29.358 -29.033 1.00 56.41 ? 330 SER c CA 1 +ATOM 35057 C C . SER U 3 312 ? -21.499 29.371 -29.308 1.00 55.27 ? 330 SER c C 1 +ATOM 35058 O O . SER U 3 312 ? -21.069 28.807 -30.316 1.00 53.38 ? 330 SER c O 1 +ATOM 35059 C CB . SER U 3 312 ? -23.740 29.802 -30.297 1.00 56.56 ? 330 SER c CB 1 +ATOM 35060 O OG . SER U 3 312 ? -23.395 31.143 -30.619 1.00 55.85 ? 330 SER c OG 1 +ATOM 35061 N N . ALA U 3 313 ? -20.703 30.019 -28.467 1.00 52.51 ? 331 ALA c N 1 +ATOM 35062 C CA . ALA U 3 313 ? -19.266 30.039 -28.685 1.00 58.25 ? 331 ALA c CA 1 +ATOM 35063 C C . ALA U 3 313 ? -18.674 28.705 -28.218 1.00 60.78 ? 331 ALA c C 1 +ATOM 35064 O O . ALA U 3 313 ? -18.777 28.343 -27.041 1.00 57.45 ? 331 ALA c O 1 +ATOM 35065 C CB . ALA U 3 313 ? -18.637 31.223 -27.957 1.00 52.46 ? 331 ALA c CB 1 +ATOM 35066 N N . GLN U 3 314 ? -18.091 27.976 -29.157 1.00 56.36 ? 332 GLN c N 1 +ATOM 35067 C CA . GLN U 3 314 ? -17.484 26.676 -28.930 1.00 55.25 ? 332 GLN c CA 1 +ATOM 35068 C C . GLN U 3 314 ? -16.053 26.880 -28.457 1.00 49.99 ? 332 GLN c C 1 +ATOM 35069 O O . GLN U 3 314 ? -15.288 27.606 -29.091 1.00 54.86 ? 332 GLN c O 1 +ATOM 35070 C CB . GLN U 3 314 ? -17.531 25.873 -30.238 1.00 50.11 ? 332 GLN c CB 1 +ATOM 35071 C CG . GLN U 3 314 ? -16.895 24.471 -30.244 1.00 52.14 ? 332 GLN c CG 1 +ATOM 35072 C CD . GLN U 3 314 ? -16.620 23.968 -31.675 1.00 61.12 ? 332 GLN c CD 1 +ATOM 35073 O OE1 . GLN U 3 314 ? -16.985 24.627 -32.659 1.00 59.39 ? 332 GLN c OE1 1 +ATOM 35074 N NE2 . GLN U 3 314 ? -15.969 22.817 -31.791 1.00 51.26 ? 332 GLN c NE2 1 +ATOM 35075 N N A GLY U 3 315 ? -15.697 26.259 -27.327 0.40 48.44 ? 333 GLY c N 1 +ATOM 35076 N N B GLY U 3 315 ? -15.697 26.254 -27.351 0.60 48.38 ? 333 GLY c N 1 +ATOM 35077 C CA A GLY U 3 315 ? -14.346 26.348 -26.817 0.40 50.35 ? 333 GLY c CA 1 +ATOM 35078 C CA B GLY U 3 315 ? -14.345 26.344 -26.850 0.60 50.32 ? 333 GLY c CA 1 +ATOM 35079 C C A GLY U 3 315 ? -13.436 25.356 -27.507 0.40 51.76 ? 333 GLY c C 1 +ATOM 35080 C C B GLY U 3 315 ? -13.423 25.354 -27.528 0.60 51.78 ? 333 GLY c C 1 +ATOM 35081 O O A GLY U 3 315 ? -13.866 24.514 -28.292 0.40 49.59 ? 333 GLY c O 1 +ATOM 35082 O O B GLY U 3 315 ? -13.838 24.496 -28.317 0.60 49.63 ? 333 GLY c O 1 +ATOM 35083 N N A PRO U 3 316 ? -12.137 25.456 -27.209 0.40 52.83 ? 334 PRO c N 1 +ATOM 35084 N N B PRO U 3 316 ? -12.131 25.460 -27.206 0.60 52.88 ? 334 PRO c N 1 +ATOM 35085 C CA A PRO U 3 316 ? -11.151 24.607 -27.897 0.40 49.31 ? 334 PRO c CA 1 +ATOM 35086 C CA B PRO U 3 316 ? -11.123 24.626 -27.883 0.60 49.26 ? 334 PRO c CA 1 +ATOM 35087 C C A PRO U 3 316 ? -11.398 23.120 -27.771 0.40 54.82 ? 334 PRO c C 1 +ATOM 35088 C C B PRO U 3 316 ? -11.343 23.133 -27.744 0.60 54.99 ? 334 PRO c C 1 +ATOM 35089 O O A PRO U 3 316 ? -11.023 22.375 -28.682 0.40 48.58 ? 334 PRO c O 1 +ATOM 35090 O O B PRO U 3 316 ? -10.920 22.381 -28.629 0.60 48.47 ? 334 PRO c O 1 +ATOM 35091 C CB A PRO U 3 316 ? -9.830 25.005 -27.226 0.40 50.73 ? 334 PRO c CB 1 +ATOM 35092 C CB B PRO U 3 316 ? -9.812 25.058 -27.209 0.60 50.67 ? 334 PRO c CB 1 +ATOM 35093 C CG A PRO U 3 316 ? -10.037 26.437 -26.866 0.40 58.57 ? 334 PRO c CG 1 +ATOM 35094 C CG B PRO U 3 316 ? -10.076 26.445 -26.730 0.60 58.89 ? 334 PRO c CG 1 +ATOM 35095 C CD A PRO U 3 316 ? -11.489 26.519 -26.424 0.40 54.56 ? 334 PRO c CD 1 +ATOM 35096 C CD B PRO U 3 316 ? -11.519 26.451 -26.307 0.60 54.62 ? 334 PRO c CD 1 +ATOM 35097 N N A THR U 3 317 ? -11.987 22.658 -26.668 0.40 50.08 ? 335 THR c N 1 +ATOM 35098 N N B THR U 3 317 ? -11.960 22.672 -26.655 0.60 50.01 ? 335 THR c N 1 +ATOM 35099 C CA A THR U 3 317 ? -12.190 21.231 -26.485 0.40 51.48 ? 335 THR c CA 1 +ATOM 35100 C CA B THR U 3 317 ? -12.164 21.247 -26.448 0.60 51.55 ? 335 THR c CA 1 +ATOM 35101 C C A THR U 3 317 ? -13.465 20.741 -27.142 0.40 55.87 ? 335 THR c C 1 +ATOM 35102 C C B THR U 3 317 ? -13.422 20.738 -27.125 0.60 56.06 ? 335 THR c C 1 +ATOM 35103 O O A THR U 3 317 ? -13.673 19.520 -27.223 0.40 54.28 ? 335 THR c O 1 +ATOM 35104 O O B THR U 3 317 ? -13.608 19.518 -27.219 0.60 54.34 ? 335 THR c O 1 +ATOM 35105 C CB A THR U 3 317 ? -12.244 20.890 -24.990 0.40 53.01 ? 335 THR c CB 1 +ATOM 35106 C CB B THR U 3 317 ? -12.243 20.924 -24.948 0.60 53.10 ? 335 THR c CB 1 +ATOM 35107 O OG1 A THR U 3 317 ? -13.390 21.541 -24.425 0.40 54.17 ? 335 THR c OG1 1 +ATOM 35108 O OG1 B THR U 3 317 ? -13.389 21.576 -24.384 0.60 54.30 ? 335 THR c OG1 1 +ATOM 35109 C CG2 A THR U 3 317 ? -10.984 21.368 -24.280 0.40 42.77 ? 335 THR c CG2 1 +ATOM 35110 C CG2 B THR U 3 317 ? -10.983 21.401 -24.220 0.60 42.58 ? 335 THR c CG2 1 +ATOM 35111 N N A GLY U 3 318 ? -14.330 21.654 -27.582 0.40 44.93 ? 336 GLY c N 1 +ATOM 35112 N N B GLY U 3 318 ? -14.293 21.638 -27.589 0.60 44.79 ? 336 GLY c N 1 +ATOM 35113 C CA A GLY U 3 318 ? -15.626 21.297 -28.103 0.40 46.66 ? 336 GLY c CA 1 +ATOM 35114 C CA B GLY U 3 318 ? -15.598 21.284 -28.092 0.60 46.55 ? 336 GLY c CA 1 +ATOM 35115 C C A GLY U 3 318 ? -16.762 21.580 -27.148 0.40 51.79 ? 336 GLY c C 1 +ATOM 35116 C C B GLY U 3 318 ? -16.713 21.631 -27.135 0.60 51.90 ? 336 GLY c C 1 +ATOM 35117 O O A GLY U 3 318 ? -17.903 21.760 -27.595 0.40 50.26 ? 336 GLY c O 1 +ATOM 35118 O O B GLY U 3 318 ? -17.844 21.874 -27.577 0.60 50.34 ? 336 GLY c O 1 +ATOM 35119 N N A LEU U 3 319 ? -16.478 21.616 -25.849 0.40 48.57 ? 337 LEU c N 1 +ATOM 35120 N N B LEU U 3 319 ? -16.418 21.655 -25.838 0.60 48.56 ? 337 LEU c N 1 +ATOM 35121 C CA A LEU U 3 319 ? -17.426 22.131 -24.873 0.40 49.76 ? 337 LEU c CA 1 +ATOM 35122 C CA B LEU U 3 319 ? -17.345 22.175 -24.845 0.60 49.82 ? 337 LEU c CA 1 +ATOM 35123 C C A LEU U 3 319 ? -17.552 23.645 -25.010 0.40 55.37 ? 337 LEU c C 1 +ATOM 35124 C C B LEU U 3 319 ? -17.481 23.687 -24.985 0.60 55.62 ? 337 LEU c C 1 +ATOM 35125 O O A LEU U 3 319 ? -16.623 24.337 -25.451 0.40 48.12 ? 337 LEU c O 1 +ATOM 35126 O O B LEU U 3 319 ? -16.556 24.377 -25.426 0.60 47.97 ? 337 LEU c O 1 +ATOM 35127 C CB A LEU U 3 319 ? -16.969 21.790 -23.444 0.40 46.62 ? 337 LEU c CB 1 +ATOM 35128 C CB B LEU U 3 319 ? -16.864 21.829 -23.429 0.60 46.39 ? 337 LEU c CB 1 +ATOM 35129 C CG A LEU U 3 319 ? -16.950 20.319 -23.002 0.40 54.74 ? 337 LEU c CG 1 +ATOM 35130 C CG B LEU U 3 319 ? -16.829 20.357 -23.007 0.60 55.02 ? 337 LEU c CG 1 +ATOM 35131 C CD1 A LEU U 3 319 ? -16.200 20.149 -21.658 0.40 47.81 ? 337 LEU c CD1 1 +ATOM 35132 C CD1 B LEU U 3 319 ? -16.027 20.171 -21.706 0.60 47.64 ? 337 LEU c CD1 1 +ATOM 35133 C CD2 A LEU U 3 319 ? -18.373 19.817 -22.890 0.40 45.65 ? 337 LEU c CD2 1 +ATOM 35134 C CD2 B LEU U 3 319 ? -18.245 19.833 -22.848 0.60 45.59 ? 337 LEU c CD2 1 +ATOM 35135 N N A GLY U 3 320 ? -18.702 24.168 -24.586 0.40 51.56 ? 338 GLY c N 1 +ATOM 35136 N N B GLY U 3 320 ? -18.641 24.202 -24.582 0.60 51.73 ? 338 GLY c N 1 +ATOM 35137 C CA A GLY U 3 320 ? -18.899 25.606 -24.589 0.40 47.50 ? 338 GLY c CA 1 +ATOM 35138 C CA B GLY U 3 320 ? -18.849 25.634 -24.585 0.60 47.33 ? 338 GLY c CA 1 +ATOM 35139 C C A GLY U 3 320 ? -17.797 26.382 -23.896 0.40 54.92 ? 338 GLY c C 1 +ATOM 35140 C C B GLY U 3 320 ? -17.738 26.412 -23.908 0.60 55.12 ? 338 GLY c C 1 +ATOM 35141 O O A GLY U 3 320 ? -17.356 26.017 -22.801 0.40 52.21 ? 338 GLY c O 1 +ATOM 35142 O O B GLY U 3 320 ? -17.274 26.048 -22.822 0.60 52.23 ? 338 GLY c O 1 +ATOM 35143 N N A LYS U 3 321 ? -17.336 27.457 -24.544 0.40 54.06 ? 339 LYS c N 1 +ATOM 35144 N N B LYS U 3 321 ? -17.290 27.485 -24.564 0.60 54.10 ? 339 LYS c N 1 +ATOM 35145 C CA A LYS U 3 321 ? -16.295 28.300 -23.964 0.40 53.00 ? 339 LYS c CA 1 +ATOM 35146 C CA B LYS U 3 321 ? -16.248 28.331 -23.995 0.60 53.02 ? 339 LYS c CA 1 +ATOM 35147 C C A LYS U 3 321 ? -16.789 29.014 -22.710 0.40 57.91 ? 339 LYS c C 1 +ATOM 35148 C C B LYS U 3 321 ? -16.728 29.023 -22.722 0.60 58.18 ? 339 LYS c C 1 +ATOM 35149 O O A LYS U 3 321 ? -16.019 29.217 -21.759 0.40 52.09 ? 339 LYS c O 1 +ATOM 35150 O O B LYS U 3 321 ? -15.955 29.177 -21.767 0.60 51.95 ? 339 LYS c O 1 +ATOM 35151 C CB A LYS U 3 321 ? -15.815 29.323 -24.998 0.40 49.92 ? 339 LYS c CB 1 +ATOM 35152 C CB B LYS U 3 321 ? -15.796 29.360 -25.034 0.60 49.81 ? 339 LYS c CB 1 +ATOM 35153 C CG A LYS U 3 321 ? -14.536 30.039 -24.603 0.40 55.03 ? 339 LYS c CG 1 +ATOM 35154 C CG B LYS U 3 321 ? -14.508 30.088 -24.688 0.60 55.20 ? 339 LYS c CG 1 +ATOM 35155 C CD A LYS U 3 321 ? -14.132 31.086 -25.629 0.40 55.01 ? 339 LYS c CD 1 +ATOM 35156 C CD B LYS U 3 321 ? -14.152 31.142 -25.745 0.60 54.97 ? 339 LYS c CD 1 +ATOM 35157 C CE A LYS U 3 321 ? -13.747 30.486 -26.978 0.40 53.23 ? 339 LYS c CE 1 +ATOM 35158 C CE B LYS U 3 321 ? -13.748 30.532 -27.085 0.60 53.32 ? 339 LYS c CE 1 +ATOM 35159 N NZ A LYS U 3 321 ? -13.584 31.600 -27.986 0.40 54.54 ? 339 LYS c NZ 1 +ATOM 35160 N NZ B LYS U 3 321 ? -13.415 31.613 -28.079 0.60 54.31 ? 339 LYS c NZ 1 +ATOM 35161 N N A TYR U 3 322 ? -18.056 29.430 -22.702 0.40 53.75 ? 340 TYR c N 1 +ATOM 35162 N N B TYR U 3 322 ? -17.992 29.450 -22.694 0.60 53.90 ? 340 TYR c N 1 +ATOM 35163 C CA A TYR U 3 322 ? -18.654 30.168 -21.589 0.40 51.45 ? 340 TYR c CA 1 +ATOM 35164 C CA B TYR U 3 322 ? -18.580 30.194 -21.579 0.60 51.34 ? 340 TYR c CA 1 +ATOM 35165 C C A TYR U 3 322 ? -19.709 29.370 -20.859 0.40 52.17 ? 340 TYR c C 1 +ATOM 35166 C C B TYR U 3 322 ? -19.638 29.411 -20.832 0.60 52.12 ? 340 TYR c C 1 +ATOM 35167 O O A TYR U 3 322 ? -19.842 29.497 -19.640 0.40 51.72 ? 340 TYR c O 1 +ATOM 35168 O O B TYR U 3 322 ? -19.760 29.555 -19.615 0.60 51.60 ? 340 TYR c O 1 +ATOM 35169 C CB A TYR U 3 322 ? -19.302 31.478 -22.082 0.40 54.83 ? 340 TYR c CB 1 +ATOM 35170 C CB B TYR U 3 322 ? -19.228 31.503 -22.068 0.60 54.92 ? 340 TYR c CB 1 +ATOM 35171 C CG A TYR U 3 322 ? -18.382 32.351 -22.899 0.40 54.44 ? 340 TYR c CG 1 +ATOM 35172 C CG B TYR U 3 322 ? -18.326 32.393 -22.887 0.60 54.46 ? 340 TYR c CG 1 +ATOM 35173 C CD1 A TYR U 3 322 ? -17.526 33.251 -22.285 0.40 47.12 ? 340 TYR c CD1 1 +ATOM 35174 C CD1 B TYR U 3 322 ? -17.508 33.334 -22.280 0.60 47.04 ? 340 TYR c CD1 1 +ATOM 35175 C CD2 A TYR U 3 322 ? -18.348 32.255 -24.288 0.40 51.45 ? 340 TYR c CD2 1 +ATOM 35176 C CD2 B TYR U 3 322 ? -18.295 32.294 -24.274 0.60 51.46 ? 340 TYR c CD2 1 +ATOM 35177 C CE1 A TYR U 3 322 ? -16.663 34.053 -23.030 0.40 53.19 ? 340 TYR c CE1 1 +ATOM 35178 C CE1 B TYR U 3 322 ? -16.674 34.151 -23.028 0.60 53.27 ? 340 TYR c CE1 1 +ATOM 35179 C CE2 A TYR U 3 322 ? -17.489 33.058 -25.043 0.40 50.67 ? 340 TYR c CE2 1 +ATOM 35180 C CE2 B TYR U 3 322 ? -17.469 33.112 -25.029 0.60 50.57 ? 340 TYR c CE2 1 +ATOM 35181 C CZ A TYR U 3 322 ? -16.650 33.948 -24.407 0.40 52.74 ? 340 TYR c CZ 1 +ATOM 35182 C CZ B TYR U 3 322 ? -16.660 34.035 -24.404 0.60 52.88 ? 340 TYR c CZ 1 +ATOM 35183 O OH A TYR U 3 322 ? -15.791 34.735 -25.136 0.40 52.69 ? 340 TYR c OH 1 +ATOM 35184 O OH B TYR U 3 322 ? -15.832 34.851 -25.153 0.60 52.66 ? 340 TYR c OH 1 +ATOM 35185 N N A LEU U 3 323 ? -20.471 28.564 -21.588 0.40 48.10 ? 341 LEU c N 1 +ATOM 35186 N N B LEU U 3 323 ? -20.421 28.607 -21.546 0.60 48.07 ? 341 LEU c N 1 +ATOM 35187 C CA A LEU U 3 323 ? -21.607 27.856 -21.033 0.40 51.44 ? 341 LEU c CA 1 +ATOM 35188 C CA B LEU U 3 323 ? -21.543 27.883 -20.976 0.60 51.32 ? 341 LEU c CA 1 +ATOM 35189 C C A LEU U 3 323 ? -21.570 26.424 -21.540 0.40 51.06 ? 341 LEU c C 1 +ATOM 35190 C C B LEU U 3 323 ? -21.526 26.457 -21.505 0.60 51.16 ? 341 LEU c C 1 +ATOM 35191 O O A LEU U 3 323 ? -21.153 26.165 -22.666 0.40 48.70 ? 341 LEU c O 1 +ATOM 35192 O O B LEU U 3 323 ? -21.129 26.213 -22.641 0.60 48.59 ? 341 LEU c O 1 +ATOM 35193 C CB A LEU U 3 323 ? -22.933 28.537 -21.421 0.40 59.49 ? 341 LEU c CB 1 +ATOM 35194 C CB B LEU U 3 323 ? -22.876 28.564 -21.329 0.60 59.83 ? 341 LEU c CB 1 +ATOM 35195 C CG A LEU U 3 323 ? -23.125 30.012 -21.008 0.40 60.07 ? 341 LEU c CG 1 +ATOM 35196 C CG B LEU U 3 323 ? -23.076 30.013 -20.860 0.60 60.18 ? 341 LEU c CG 1 +ATOM 35197 C CD1 A LEU U 3 323 ? -24.397 30.581 -21.615 0.40 58.50 ? 341 LEU c CD1 1 +ATOM 35198 C CD1 B LEU U 3 323 ? -24.277 30.638 -21.546 0.60 58.51 ? 341 LEU c CD1 1 +ATOM 35199 C CD2 A LEU U 3 323 ? -23.172 30.133 -19.493 0.40 56.65 ? 341 LEU c CD2 1 +ATOM 35200 C CD2 B LEU U 3 323 ? -23.256 30.039 -19.350 0.60 56.38 ? 341 LEU c CD2 1 +ATOM 35201 N N A MET U 3 324 ? -21.999 25.500 -20.687 0.40 46.34 ? 342 MET c N 1 +ATOM 35202 N N B MET U 3 324 ? -21.962 25.523 -20.666 0.60 46.23 ? 342 MET c N 1 +ATOM 35203 C CA A MET U 3 324 ? -22.047 24.084 -21.001 0.40 53.59 ? 342 MET c CA 1 +ATOM 35204 C CA B MET U 3 324 ? -22.008 24.106 -20.988 0.60 53.62 ? 342 MET c CA 1 +ATOM 35205 C C A MET U 3 324 ? -23.137 23.462 -20.141 0.40 51.65 ? 342 MET c C 1 +ATOM 35206 C C B MET U 3 324 ? -23.091 23.470 -20.125 0.60 51.67 ? 342 MET c C 1 +ATOM 35207 O O A MET U 3 324 ? -23.863 24.162 -19.424 0.40 56.20 ? 342 MET c O 1 +ATOM 35208 O O B MET U 3 324 ? -23.791 24.156 -19.375 0.60 56.37 ? 342 MET c O 1 +ATOM 35209 C CB A MET U 3 324 ? -20.685 23.415 -20.772 0.40 52.86 ? 342 MET c CB 1 +ATOM 35210 C CB B MET U 3 324 ? -20.642 23.441 -20.770 0.60 52.93 ? 342 MET c CB 1 +ATOM 35211 C CG A MET U 3 324 ? -20.172 23.538 -19.338 0.40 53.91 ? 342 MET c CG 1 +ATOM 35212 C CG B MET U 3 324 ? -20.167 23.465 -19.315 0.60 53.96 ? 342 MET c CG 1 +ATOM 35213 S SD A MET U 3 324 ? -18.559 22.748 -19.108 0.40 54.38 ? 342 MET c SD 1 +ATOM 35214 S SD B MET U 3 324 ? -18.513 22.768 -19.077 0.60 54.51 ? 342 MET c SD 1 +ATOM 35215 C CE A MET U 3 324 ? -19.088 21.055 -18.933 0.40 49.73 ? 342 MET c CE 1 +ATOM 35216 C CE B MET U 3 324 ? -18.896 21.019 -18.995 0.60 49.66 ? 342 MET c CE 1 +ATOM 35217 N N A ARG U 3 325 ? -23.259 22.139 -20.225 0.40 46.10 ? 343 ARG c N 1 +ATOM 35218 N N B ARG U 3 325 ? -23.231 22.152 -20.232 0.60 45.92 ? 343 ARG c N 1 +ATOM 35219 C CA A ARG U 3 325 ? -24.208 21.389 -19.415 0.40 56.43 ? 343 ARG c CA 1 +ATOM 35220 C CA B ARG U 3 325 ? -24.185 21.413 -19.420 0.60 56.55 ? 343 ARG c CA 1 +ATOM 35221 C C A ARG U 3 325 ? -23.485 20.616 -18.314 0.40 56.28 ? 343 ARG c C 1 +ATOM 35222 C C B ARG U 3 325 ? -23.475 20.633 -18.315 0.60 56.45 ? 343 ARG c C 1 +ATOM 35223 O O A ARG U 3 325 ? -22.366 20.125 -18.498 0.40 54.40 ? 343 ARG c O 1 +ATOM 35224 O O B ARG U 3 325 ? -22.354 20.145 -18.492 0.60 54.57 ? 343 ARG c O 1 +ATOM 35225 C CB A ARG U 3 325 ? -25.034 20.413 -20.272 0.40 50.11 ? 343 ARG c CB 1 +ATOM 35226 C CB B ARG U 3 325 ? -25.018 20.455 -20.282 0.60 50.07 ? 343 ARG c CB 1 +ATOM 35227 C CG A ARG U 3 325 ? -26.088 21.100 -21.151 0.40 53.95 ? 343 ARG c CG 1 +ATOM 35228 C CG B ARG U 3 325 ? -26.064 21.149 -21.143 0.60 53.90 ? 343 ARG c CG 1 +ATOM 35229 C CD A ARG U 3 325 ? -26.995 20.072 -21.818 0.40 56.22 ? 343 ARG c CD 1 +ATOM 35230 C CD B ARG U 3 325 ? -26.963 20.137 -21.857 0.60 56.24 ? 343 ARG c CD 1 +ATOM 35231 N NE A ARG U 3 325 ? -27.906 20.676 -22.786 0.40 62.39 ? 343 ARG c NE 1 +ATOM 35232 N NE B ARG U 3 325 ? -27.897 20.772 -22.782 0.60 62.63 ? 343 ARG c NE 1 +ATOM 35233 C CZ A ARG U 3 325 ? -29.099 21.185 -22.495 0.40 60.95 ? 343 ARG c CZ 1 +ATOM 35234 C CZ B ARG U 3 325 ? -29.102 21.225 -22.453 0.60 60.96 ? 343 ARG c CZ 1 +ATOM 35235 N NH1 A ARG U 3 325 ? -29.558 21.210 -21.253 0.40 52.30 ? 343 ARG c NH1 1 +ATOM 35236 N NH1 B ARG U 3 325 ? -29.558 21.139 -21.218 0.60 52.17 ? 343 ARG c NH1 1 +ATOM 35237 N NH2 A ARG U 3 325 ? -29.854 21.673 -23.478 0.40 59.53 ? 343 ARG c NH2 1 +ATOM 35238 N NH2 B ARG U 3 325 ? -29.869 21.776 -23.391 0.60 59.35 ? 343 ARG c NH2 1 +ATOM 35239 N N A SER U 3 326 ? -24.144 20.519 -17.168 0.40 53.57 ? 344 SER c N 1 +ATOM 35240 N N B SER U 3 326 ? -24.142 20.524 -17.174 0.60 53.61 ? 344 SER c N 1 +ATOM 35241 C CA A SER U 3 326 ? -23.719 19.643 -16.093 0.40 48.18 ? 344 SER c CA 1 +ATOM 35242 C CA B SER U 3 326 ? -23.727 19.634 -16.102 0.60 48.10 ? 344 SER c CA 1 +ATOM 35243 C C A SER U 3 326 ? -24.075 18.207 -16.472 0.40 54.01 ? 344 SER c C 1 +ATOM 35244 C C B SER U 3 326 ? -24.103 18.204 -16.471 0.60 54.16 ? 344 SER c C 1 +ATOM 35245 O O A SER U 3 326 ? -24.788 17.973 -17.453 0.40 51.30 ? 344 SER c O 1 +ATOM 35246 O O B SER U 3 326 ? -24.876 17.978 -17.407 0.60 51.32 ? 344 SER c O 1 +ATOM 35247 C CB A SER U 3 326 ? -24.395 20.067 -14.787 0.40 49.02 ? 344 SER c CB 1 +ATOM 35248 C CB B SER U 3 326 ? -24.394 20.056 -14.792 0.60 48.96 ? 344 SER c CB 1 +ATOM 35249 O OG A SER U 3 326 ? -25.644 19.407 -14.640 0.40 52.32 ? 344 SER c OG 1 +ATOM 35250 O OG B SER U 3 326 ? -25.654 19.419 -14.636 0.60 52.38 ? 344 SER c OG 1 +ATOM 35251 N N A PRO U 3 327 ? -23.595 17.206 -15.721 0.40 52.02 ? 345 PRO c N 1 +ATOM 35252 N N B PRO U 3 327 ? -23.579 17.206 -15.746 0.60 52.09 ? 345 PRO c N 1 +ATOM 35253 C CA A PRO U 3 327 ? -23.897 15.814 -16.108 0.40 48.32 ? 345 PRO c CA 1 +ATOM 35254 C CA B PRO U 3 327 ? -23.901 15.810 -16.092 0.60 48.21 ? 345 PRO c CA 1 +ATOM 35255 C C A PRO U 3 327 ? -25.383 15.469 -16.070 0.40 48.35 ? 345 PRO c C 1 +ATOM 35256 C C B PRO U 3 327 ? -25.384 15.483 -16.073 0.60 48.27 ? 345 PRO c C 1 +ATOM 35257 O O A PRO U 3 327 ? -25.785 14.493 -16.711 0.40 55.15 ? 345 PRO c O 1 +ATOM 35258 O O B PRO U 3 327 ? -25.792 14.528 -16.739 0.60 55.40 ? 345 PRO c O 1 +ATOM 35259 C CB A PRO U 3 327 ? -23.093 14.983 -15.097 0.40 49.61 ? 345 PRO c CB 1 +ATOM 35260 C CB B PRO U 3 327 ? -23.132 15.004 -15.040 0.60 49.63 ? 345 PRO c CB 1 +ATOM 35261 C CG A PRO U 3 327 ? -21.988 15.875 -14.669 0.40 48.99 ? 345 PRO c CG 1 +ATOM 35262 C CG B PRO U 3 327 ? -21.973 15.862 -14.706 0.60 48.93 ? 345 PRO c CG 1 +ATOM 35263 C CD A PRO U 3 327 ? -22.599 17.261 -14.631 0.40 51.24 ? 345 PRO c CD 1 +ATOM 35264 C CD B PRO U 3 327 ? -22.513 17.273 -14.728 0.60 51.42 ? 345 PRO c CD 1 +ATOM 35265 N N . THR U 3 328 ? -26.210 16.232 -15.351 1.00 53.57 ? 346 THR c N 1 +ATOM 35266 C CA . THR U 3 328 ? -27.653 16.022 -15.379 1.00 51.94 ? 346 THR c CA 1 +ATOM 35267 C C . THR U 3 328 ? -28.388 17.100 -16.180 1.00 58.73 ? 346 THR c C 1 +ATOM 35268 O O . THR U 3 328 ? -29.622 17.129 -16.172 1.00 59.13 ? 346 THR c O 1 +ATOM 35269 C CB . THR U 3 328 ? -28.234 15.905 -13.954 1.00 54.85 ? 346 THR c CB 1 +ATOM 35270 O OG1 . THR U 3 328 ? -27.791 16.994 -13.136 1.00 54.13 ? 346 THR c OG1 1 +ATOM 35271 C CG2 . THR U 3 328 ? -27.818 14.593 -13.313 1.00 52.84 ? 346 THR c CG2 1 +ATOM 35272 N N . GLY U 3 329 ? -27.670 17.975 -16.888 1.00 53.16 ? 347 GLY c N 1 +ATOM 35273 C CA . GLY U 3 329 ? -28.250 18.761 -17.963 1.00 54.35 ? 347 GLY c CA 1 +ATOM 35274 C C . GLY U 3 329 ? -28.325 20.259 -17.730 1.00 55.70 ? 347 GLY c C 1 +ATOM 35275 O O . GLY U 3 329 ? -28.532 21.002 -18.692 1.00 57.76 ? 347 GLY c O 1 +ATOM 35276 N N . GLU U 3 330 ? -28.183 20.721 -16.491 1.00 54.44 ? 348 GLU c N 1 +ATOM 35277 C CA . GLU U 3 330 ? -28.342 22.140 -16.193 1.00 58.29 ? 348 GLU c CA 1 +ATOM 35278 C C . GLU U 3 330 ? -27.297 22.969 -16.939 1.00 62.04 ? 348 GLU c C 1 +ATOM 35279 O O . GLU U 3 330 ? -26.160 22.526 -17.128 1.00 57.76 ? 348 GLU c O 1 +ATOM 35280 C CB . GLU U 3 330 ? -28.227 22.369 -14.674 1.00 54.97 ? 348 GLU c CB 1 +ATOM 35281 C CG . GLU U 3 330 ? -29.350 21.733 -13.815 1.00 52.40 ? 348 GLU c CG 1 +ATOM 35282 C CD . GLU U 3 330 ? -29.211 20.214 -13.587 1.00 61.84 ? 348 GLU c CD 1 +ATOM 35283 O OE1 . GLU U 3 330 ? -28.150 19.630 -13.891 1.00 56.14 ? 348 GLU c OE1 1 +ATOM 35284 O OE2 . GLU U 3 330 ? -30.184 19.595 -13.115 1.00 52.76 ? 348 GLU c OE2 1 +ATOM 35285 N N . ILE U 3 331 ? -27.691 24.175 -17.381 1.00 55.94 ? 349 ILE c N 1 +ATOM 35286 C CA . ILE U 3 331 ? -26.768 25.084 -18.054 1.00 50.37 ? 349 ILE c CA 1 +ATOM 35287 C C . ILE U 3 331 ? -25.881 25.731 -17.000 1.00 59.55 ? 349 ILE c C 1 +ATOM 35288 O O . ILE U 3 331 ? -26.374 26.310 -16.022 1.00 51.68 ? 349 ILE c O 1 +ATOM 35289 C CB . ILE U 3 331 ? -27.525 26.149 -18.870 1.00 57.09 ? 349 ILE c CB 1 +ATOM 35290 C CG1 . ILE U 3 331 ? -28.482 25.505 -19.870 1.00 57.85 ? 349 ILE c CG1 1 +ATOM 35291 C CG2 . ILE U 3 331 ? -26.543 27.077 -19.573 1.00 46.57 ? 349 ILE c CG2 1 +ATOM 35292 C CD1 . ILE U 3 331 ? -27.806 24.618 -20.879 1.00 61.00 ? 349 ILE c CD1 1 +ATOM 35293 N N A ILE U 3 332 ? -24.567 25.642 -17.196 0.40 54.83 ? 350 ILE c N 1 +ATOM 35294 N N B ILE U 3 332 ? -24.562 25.635 -17.184 0.60 54.93 ? 350 ILE c N 1 +ATOM 35295 C CA A ILE U 3 332 ? -23.606 26.060 -16.177 0.40 51.48 ? 350 ILE c CA 1 +ATOM 35296 C CA B ILE U 3 332 ? -23.595 26.052 -16.167 0.60 51.44 ? 350 ILE c CA 1 +ATOM 35297 C C A ILE U 3 332 ? -22.442 26.741 -16.880 0.40 52.08 ? 350 ILE c C 1 +ATOM 35298 C C B ILE U 3 332 ? -22.433 26.753 -16.856 0.60 52.06 ? 350 ILE c C 1 +ATOM 35299 O O A ILE U 3 332 ? -22.243 26.588 -18.089 0.40 54.08 ? 350 ILE c O 1 +ATOM 35300 O O B ILE U 3 332 ? -22.269 26.679 -18.075 0.60 54.26 ? 350 ILE c O 1 +ATOM 35301 C CB A ILE U 3 332 ? -23.089 24.858 -15.340 0.40 57.88 ? 350 ILE c CB 1 +ATOM 35302 C CB B ILE U 3 332 ? -23.071 24.853 -15.335 0.60 58.09 ? 350 ILE c CB 1 +ATOM 35303 C CG1 A ILE U 3 332 ? -22.317 23.879 -16.244 0.40 46.69 ? 350 ILE c CG1 1 +ATOM 35304 C CG1 B ILE U 3 332 ? -22.292 23.890 -16.241 0.60 46.54 ? 350 ILE c CG1 1 +ATOM 35305 C CG2 A ILE U 3 332 ? -24.248 24.124 -14.643 0.40 46.72 ? 350 ILE c CG2 1 +ATOM 35306 C CG2 B ILE U 3 332 ? -24.224 24.119 -14.658 0.60 46.60 ? 350 ILE c CG2 1 +ATOM 35307 C CD1 A ILE U 3 332 ? -21.475 22.830 -15.491 0.40 51.90 ? 350 ILE c CD1 1 +ATOM 35308 C CD1 B ILE U 3 332 ? -21.504 22.799 -15.518 0.60 51.93 ? 350 ILE c CD1 1 +ATOM 35309 N N A PHE U 3 333 ? -21.673 27.503 -16.105 0.40 50.60 ? 351 PHE c N 1 +ATOM 35310 N N B PHE U 3 333 ? -21.614 27.430 -16.055 0.60 50.54 ? 351 PHE c N 1 +ATOM 35311 C CA A PHE U 3 333 ? -20.442 28.099 -16.616 0.40 52.54 ? 351 PHE c CA 1 +ATOM 35312 C CA B PHE U 3 333 ? -20.415 28.075 -16.577 0.60 52.53 ? 351 PHE c CA 1 +ATOM 35313 C C A PHE U 3 333 ? -19.442 27.025 -17.057 0.40 56.99 ? 351 PHE c C 1 +ATOM 35314 C C B PHE U 3 333 ? -19.396 27.042 -17.067 0.60 57.13 ? 351 PHE c C 1 +ATOM 35315 O O A PHE U 3 333 ? -19.323 25.961 -16.433 0.40 53.13 ? 351 PHE c O 1 +ATOM 35316 O O B PHE U 3 333 ? -19.265 25.947 -16.508 0.60 53.15 ? 351 PHE c O 1 +ATOM 35317 C CB A PHE U 3 333 ? -19.811 28.979 -15.540 0.40 50.75 ? 351 PHE c CB 1 +ATOM 35318 C CB B PHE U 3 333 ? -19.783 28.957 -15.505 0.60 50.62 ? 351 PHE c CB 1 +ATOM 35319 C CG A PHE U 3 333 ? -20.566 30.258 -15.268 0.40 59.20 ? 351 PHE c CG 1 +ATOM 35320 C CG B PHE U 3 333 ? -20.514 30.251 -15.273 0.60 59.27 ? 351 PHE c CG 1 +ATOM 35321 C CD1 A PHE U 3 333 ? -21.007 31.059 -16.312 0.40 59.23 ? 351 PHE c CD1 1 +ATOM 35322 C CD1 B PHE U 3 333 ? -20.885 31.055 -16.337 0.60 59.22 ? 351 PHE c CD1 1 +ATOM 35323 C CD2 A PHE U 3 333 ? -20.833 30.657 -13.966 0.40 61.75 ? 351 PHE c CD2 1 +ATOM 35324 C CD2 B PHE U 3 333 ? -20.833 30.660 -13.987 0.60 61.88 ? 351 PHE c CD2 1 +ATOM 35325 C CE1 A PHE U 3 333 ? -21.702 32.241 -16.064 0.40 62.55 ? 351 PHE c CE1 1 +ATOM 35326 C CE1 B PHE U 3 333 ? -21.556 32.250 -16.128 0.60 62.48 ? 351 PHE c CE1 1 +ATOM 35327 C CE2 A PHE U 3 333 ? -21.532 31.839 -13.709 0.40 63.44 ? 351 PHE c CE2 1 +ATOM 35328 C CE2 B PHE U 3 333 ? -21.508 31.852 -13.769 0.60 63.60 ? 351 PHE c CE2 1 +ATOM 35329 C CZ A PHE U 3 333 ? -21.967 32.627 -14.765 0.40 62.62 ? 351 PHE c CZ 1 +ATOM 35330 C CZ B PHE U 3 333 ? -21.874 32.645 -14.841 0.60 62.73 ? 351 PHE c CZ 1 +ATOM 35331 N N A GLY U 3 334 ? -18.703 27.323 -18.130 0.40 53.17 ? 352 GLY c N 1 +ATOM 35332 N N B GLY U 3 334 ? -18.661 27.410 -18.119 0.60 53.27 ? 352 GLY c N 1 +ATOM 35333 C CA A GLY U 3 334 ? -17.714 26.418 -18.676 0.40 48.64 ? 352 GLY c CA 1 +ATOM 35334 C CA B GLY U 3 334 ? -17.684 26.532 -18.726 0.60 48.71 ? 352 GLY c CA 1 +ATOM 35335 C C A GLY U 3 334 ? -16.303 26.727 -18.197 0.40 51.77 ? 352 GLY c C 1 +ATOM 35336 C C B GLY U 3 334 ? -16.279 26.740 -18.185 0.60 51.90 ? 352 GLY c C 1 +ATOM 35337 O O A GLY U 3 334 ? -16.069 27.618 -17.379 0.40 49.93 ? 352 GLY c O 1 +ATOM 35338 O O B GLY U 3 334 ? -16.038 27.522 -17.263 0.60 49.86 ? 352 GLY c O 1 +ATOM 35339 N N A GLY U 3 335 ? -15.338 25.975 -18.746 0.40 50.96 ? 353 GLY c N 1 +ATOM 35340 N N B GLY U 3 335 ? -15.327 26.021 -18.794 0.60 50.92 ? 353 GLY c N 1 +ATOM 35341 C CA A GLY U 3 335 ? -13.986 25.980 -18.210 0.40 51.90 ? 353 GLY c CA 1 +ATOM 35342 C CA B GLY U 3 335 ? -13.971 25.956 -18.282 0.60 51.73 ? 353 GLY c CA 1 +ATOM 35343 C C A GLY U 3 335 ? -13.871 25.111 -16.959 0.40 54.61 ? 353 GLY c C 1 +ATOM 35344 C C B GLY U 3 335 ? -13.888 25.110 -17.012 0.60 54.86 ? 353 GLY c C 1 +ATOM 35345 O O A GLY U 3 335 ? -14.760 24.331 -16.613 0.40 49.18 ? 353 GLY c O 1 +ATOM 35346 O O B GLY U 3 335 ? -14.807 24.377 -16.645 0.60 49.25 ? 353 GLY c O 1 +ATOM 35347 N N A GLU U 3 336 ? -12.737 25.250 -16.271 0.40 49.07 ? 354 GLU c N 1 +ATOM 35348 N N B GLU U 3 336 ? -12.752 25.237 -16.327 0.60 49.05 ? 354 GLU c N 1 +ATOM 35349 C CA A GLU U 3 336 ? -12.497 24.412 -15.101 0.40 48.89 ? 354 GLU c CA 1 +ATOM 35350 C CA B GLU U 3 336 ? -12.514 24.388 -15.170 0.60 48.86 ? 354 GLU c CA 1 +ATOM 35351 C C A GLU U 3 336 ? -13.595 24.543 -14.060 0.40 52.55 ? 354 GLU c C 1 +ATOM 35352 C C B GLU U 3 336 ? -13.546 24.591 -14.076 0.60 52.66 ? 354 GLU c C 1 +ATOM 35353 O O A GLU U 3 336 ? -13.876 23.574 -13.345 0.40 53.72 ? 354 GLU c O 1 +ATOM 35354 O O B GLU U 3 336 ? -13.806 23.655 -13.315 0.60 53.87 ? 354 GLU c O 1 +ATOM 35355 C CB A GLU U 3 336 ? -11.156 24.742 -14.477 0.40 49.98 ? 354 GLU c CB 1 +ATOM 35356 C CB B GLU U 3 336 ? -11.114 24.619 -14.626 0.60 49.61 ? 354 GLU c CB 1 +ATOM 35357 C CG A GLU U 3 336 ? -10.106 23.837 -14.992 0.40 52.83 ? 354 GLU c CG 1 +ATOM 35358 C CG B GLU U 3 336 ? -10.329 23.349 -14.688 0.60 49.55 ? 354 GLU c CG 1 +ATOM 35359 C CD A GLU U 3 336 ? -8.984 23.606 -14.024 0.40 50.94 ? 354 GLU c CD 1 +ATOM 35360 C CD B GLU U 3 336 ? -9.057 23.370 -13.888 0.60 49.85 ? 354 GLU c CD 1 +ATOM 35361 O OE1 A GLU U 3 336 ? -8.687 24.524 -13.230 0.40 52.25 ? 354 GLU c OE1 1 +ATOM 35362 O OE1 B GLU U 3 336 ? -8.754 24.406 -13.255 0.60 52.43 ? 354 GLU c OE1 1 +ATOM 35363 O OE2 A GLU U 3 336 ? -8.382 22.512 -14.090 0.40 52.05 ? 354 GLU c OE2 1 +ATOM 35364 O OE2 B GLU U 3 336 ? -8.353 22.331 -13.913 0.60 52.35 ? 354 GLU c OE2 1 +ATOM 35365 N N A THR U 3 337 ? -14.251 25.707 -13.984 0.40 48.13 ? 355 THR c N 1 +ATOM 35366 N N B THR U 3 337 ? -14.177 25.769 -14.002 0.60 48.08 ? 355 THR c N 1 +ATOM 35367 C CA A THR U 3 337 ? -15.297 25.934 -12.993 0.40 50.03 ? 355 THR c CA 1 +ATOM 35368 C CA B THR U 3 337 ? -15.205 25.971 -12.983 0.60 50.08 ? 355 THR c CA 1 +ATOM 35369 C C A THR U 3 337 ? -16.529 25.080 -13.235 0.40 46.26 ? 355 THR c C 1 +ATOM 35370 C C B THR U 3 337 ? -16.420 25.075 -13.185 0.60 45.94 ? 355 THR c C 1 +ATOM 35371 O O A THR U 3 337 ? -17.493 25.205 -12.478 0.40 54.48 ? 355 THR c O 1 +ATOM 35372 O O B THR U 3 337 ? -17.331 25.141 -12.364 0.60 54.37 ? 355 THR c O 1 +ATOM 35373 C CB A THR U 3 337 ? -15.681 27.435 -12.924 0.40 57.05 ? 355 THR c CB 1 +ATOM 35374 C CB B THR U 3 337 ? -15.626 27.463 -12.904 0.60 57.18 ? 355 THR c CB 1 +ATOM 35375 O OG1 A THR U 3 337 ? -16.277 27.728 -11.647 0.40 52.06 ? 355 THR c OG1 1 +ATOM 35376 O OG1 B THR U 3 337 ? -16.206 27.750 -11.620 0.60 52.10 ? 355 THR c OG1 1 +ATOM 35377 C CG2 A THR U 3 337 ? -16.655 27.848 -14.035 0.40 53.06 ? 355 THR c CG2 1 +ATOM 35378 C CG2 B THR U 3 337 ? -16.626 27.835 -13.999 0.60 53.13 ? 355 THR c CG2 1 +ATOM 35379 N N A MET U 3 338 ? -16.527 24.209 -14.248 0.40 48.28 ? 356 MET c N 1 +ATOM 35380 N N B MET U 3 338 ? -16.443 24.205 -14.199 0.60 48.23 ? 356 MET c N 1 +ATOM 35381 C CA A MET U 3 338 ? -17.556 23.177 -14.330 0.40 51.54 ? 356 MET c CA 1 +ATOM 35382 C CA B MET U 3 338 ? -17.510 23.211 -14.283 0.60 51.54 ? 356 MET c CA 1 +ATOM 35383 C C A MET U 3 338 ? -17.641 22.350 -13.037 0.40 55.22 ? 356 MET c C 1 +ATOM 35384 C C B MET U 3 338 ? -17.628 22.379 -13.005 0.60 55.36 ? 356 MET c C 1 +ATOM 35385 O O A MET U 3 338 ? -18.709 21.807 -12.715 0.40 52.08 ? 356 MET c O 1 +ATOM 35386 O O B MET U 3 338 ? -18.702 21.834 -12.719 0.60 52.15 ? 356 MET c O 1 +ATOM 35387 C CB A MET U 3 338 ? -17.289 22.259 -15.542 0.40 49.15 ? 356 MET c CB 1 +ATOM 35388 C CB B MET U 3 338 ? -17.292 22.275 -15.487 0.60 49.24 ? 356 MET c CB 1 +ATOM 35389 C CG A MET U 3 338 ? -16.100 21.304 -15.337 0.40 49.90 ? 356 MET c CG 1 +ATOM 35390 C CG B MET U 3 338 ? -16.088 21.337 -15.322 0.60 49.97 ? 356 MET c CG 1 +ATOM 35391 S SD A MET U 3 338 ? -15.821 20.103 -16.659 0.40 50.91 ? 356 MET c SD 1 +ATOM 35392 S SD B MET U 3 338 ? -15.827 20.145 -16.661 0.60 51.01 ? 356 MET c SD 1 +ATOM 35393 C CE A MET U 3 338 ? -15.064 21.121 -17.926 0.40 46.78 ? 356 MET c CE 1 +ATOM 35394 C CE B MET U 3 338 ? -15.089 21.212 -17.913 0.60 46.73 ? 356 MET c CE 1 +ATOM 35395 N N A ARG U 3 339 ? -16.538 22.235 -12.285 0.40 50.10 ? 357 ARG c N 1 +ATOM 35396 N N B ARG U 3 339 ? -16.544 22.258 -12.227 0.60 50.04 ? 357 ARG c N 1 +ATOM 35397 C CA A ARG U 3 339 ? -16.597 21.495 -11.024 0.40 54.44 ? 357 ARG c CA 1 +ATOM 35398 C CA B ARG U 3 339 ? -16.627 21.525 -10.965 0.60 54.51 ? 357 ARG c CA 1 +ATOM 35399 C C A ARG U 3 339 ? -17.436 22.215 -9.978 0.40 56.89 ? 357 ARG c C 1 +ATOM 35400 C C B ARG U 3 339 ? -17.465 22.257 -9.930 0.60 57.04 ? 357 ARG c C 1 +ATOM 35401 O O A ARG U 3 339 ? -17.899 21.574 -9.032 0.40 54.67 ? 357 ARG c O 1 +ATOM 35402 O O B ARG U 3 339 ? -17.951 21.627 -8.985 0.60 54.72 ? 357 ARG c O 1 +ATOM 35403 C CB A ARG U 3 339 ? -15.196 21.246 -10.448 0.40 47.35 ? 357 ARG c CB 1 +ATOM 35404 C CB B ARG U 3 339 ? -15.232 21.258 -10.383 0.60 47.12 ? 357 ARG c CB 1 +ATOM 35405 C CG A ARG U 3 339 ? -14.526 22.497 -9.900 0.40 47.72 ? 357 ARG c CG 1 +ATOM 35406 C CG B ARG U 3 339 ? -14.483 22.510 -9.947 0.60 47.71 ? 357 ARG c CG 1 +ATOM 35407 C CD A ARG U 3 339 ? -13.144 22.202 -9.314 0.40 50.93 ? 357 ARG c CD 1 +ATOM 35408 C CD B ARG U 3 339 ? -13.130 22.178 -9.322 0.60 51.00 ? 357 ARG c CD 1 +ATOM 35409 N NE A ARG U 3 339 ? -12.240 21.580 -10.279 0.40 49.94 ? 357 ARG c NE 1 +ATOM 35410 N NE B ARG U 3 339 ? -12.211 21.557 -10.270 0.60 49.96 ? 357 ARG c NE 1 +ATOM 35411 C CZ A ARG U 3 339 ? -10.916 21.574 -10.171 0.40 53.38 ? 357 ARG c CZ 1 +ATOM 35412 C CZ B ARG U 3 339 ? -10.888 21.574 -10.160 0.60 53.58 ? 357 ARG c CZ 1 +ATOM 35413 N NH1 A ARG U 3 339 ? -10.299 22.152 -9.147 0.40 50.70 ? 357 ARG c NH1 1 +ATOM 35414 N NH1 B ARG U 3 339 ? -10.283 22.159 -9.135 0.60 50.72 ? 357 ARG c NH1 1 +ATOM 35415 N NH2 A ARG U 3 339 ? -10.190 20.986 -11.119 0.40 45.00 ? 357 ARG c NH2 1 +ATOM 35416 N NH2 B ARG U 3 339 ? -10.148 21.009 -11.113 0.60 44.86 ? 357 ARG c NH2 1 +ATOM 35417 N N A PHE U 3 340 ? -17.671 23.520 -10.144 0.40 56.08 ? 358 PHE c N 1 +ATOM 35418 N N B PHE U 3 340 ? -17.656 23.564 -10.086 0.60 56.23 ? 358 PHE c N 1 +ATOM 35419 C CA A PHE U 3 340 ? -18.260 24.345 -9.096 0.40 54.15 ? 358 PHE c CA 1 +ATOM 35420 C CA B PHE U 3 340 ? -18.271 24.383 -9.055 0.60 54.14 ? 358 PHE c CA 1 +ATOM 35421 C C A PHE U 3 340 ? -19.715 24.709 -9.362 0.40 54.34 ? 358 PHE c C 1 +ATOM 35422 C C B PHE U 3 340 ? -19.713 24.749 -9.372 0.60 54.29 ? 358 PHE c C 1 +ATOM 35423 O O A PHE U 3 340 ? -20.219 25.660 -8.762 0.40 56.94 ? 358 PHE c O 1 +ATOM 35424 O O B PHE U 3 340 ? -20.225 25.720 -8.818 0.60 57.16 ? 358 PHE c O 1 +ATOM 35425 C CB A PHE U 3 340 ? -17.442 25.621 -8.910 0.40 49.32 ? 358 PHE c CB 1 +ATOM 35426 C CB B PHE U 3 340 ? -17.446 25.648 -8.836 0.60 49.23 ? 358 PHE c CB 1 +ATOM 35427 C CG A PHE U 3 340 ? -16.140 25.412 -8.195 0.40 54.16 ? 358 PHE c CG 1 +ATOM 35428 C CG B PHE U 3 340 ? -16.136 25.412 -8.134 0.60 54.28 ? 358 PHE c CG 1 +ATOM 35429 C CD1 A PHE U 3 340 ? -16.083 24.653 -7.024 0.40 50.90 ? 358 PHE c CD1 1 +ATOM 35430 C CD1 B PHE U 3 340 ? -16.073 24.644 -6.979 0.60 50.91 ? 358 PHE c CD1 1 +ATOM 35431 C CD2 A PHE U 3 340 ? -14.967 25.955 -8.699 0.40 50.18 ? 358 PHE c CD2 1 +ATOM 35432 C CD2 B PHE U 3 340 ? -14.966 25.965 -8.631 0.60 50.24 ? 358 PHE c CD2 1 +ATOM 35433 C CE1 A PHE U 3 340 ? -14.880 24.464 -6.362 0.40 48.79 ? 358 PHE c CE1 1 +ATOM 35434 C CE1 B PHE U 3 340 ? -14.869 24.445 -6.327 0.60 48.73 ? 358 PHE c CE1 1 +ATOM 35435 C CE2 A PHE U 3 340 ? -13.758 25.766 -8.043 0.40 52.28 ? 358 PHE c CE2 1 +ATOM 35436 C CE2 B PHE U 3 340 ? -13.759 25.762 -7.985 0.60 52.33 ? 358 PHE c CE2 1 +ATOM 35437 C CZ A PHE U 3 340 ? -13.713 25.033 -6.862 0.40 47.32 ? 358 PHE c CZ 1 +ATOM 35438 C CZ B PHE U 3 340 ? -13.712 25.013 -6.827 0.60 47.27 ? 358 PHE c CZ 1 +ATOM 35439 N N A TRP U 3 341 ? -20.417 23.961 -10.215 0.40 54.74 ? 359 TRP c N 1 +ATOM 35440 N N B TRP U 3 341 ? -20.387 23.988 -10.231 0.60 54.88 ? 359 TRP c N 1 +ATOM 35441 C CA A TRP U 3 341 ? -21.757 24.391 -10.605 0.40 55.73 ? 359 TRP c CA 1 +ATOM 35442 C CA B TRP U 3 341 ? -21.734 24.386 -10.620 0.60 55.86 ? 359 TRP c CA 1 +ATOM 35443 C C A TRP U 3 341 ? -22.781 24.249 -9.490 0.40 57.82 ? 359 TRP c C 1 +ATOM 35444 C C B TRP U 3 341 ? -22.747 24.245 -9.496 0.60 57.98 ? 359 TRP c C 1 +ATOM 35445 O O A TRP U 3 341 ? -23.883 24.790 -9.619 0.40 55.29 ? 359 TRP c O 1 +ATOM 35446 O O B TRP U 3 341 ? -23.850 24.788 -9.609 0.60 55.33 ? 359 TRP c O 1 +ATOM 35447 C CB A TRP U 3 341 ? -22.250 23.614 -11.822 0.40 47.46 ? 359 TRP c CB 1 +ATOM 35448 C CB B TRP U 3 341 ? -22.206 23.579 -11.827 0.60 47.34 ? 359 TRP c CB 1 +ATOM 35449 C CG A TRP U 3 341 ? -22.613 22.171 -11.544 0.40 48.27 ? 359 TRP c CG 1 +ATOM 35450 C CG B TRP U 3 341 ? -22.550 22.144 -11.545 0.60 48.19 ? 359 TRP c CG 1 +ATOM 35451 C CD1 A TRP U 3 341 ? -21.751 21.136 -11.394 0.40 48.48 ? 359 TRP c CD1 1 +ATOM 35452 C CD1 B TRP U 3 341 ? -21.678 21.112 -11.415 0.60 48.45 ? 359 TRP c CD1 1 +ATOM 35453 C CD2 A TRP U 3 341 ? -23.934 21.611 -11.445 0.40 47.52 ? 359 TRP c CD2 1 +ATOM 35454 C CD2 B TRP U 3 341 ? -23.863 21.580 -11.424 0.60 47.35 ? 359 TRP c CD2 1 +ATOM 35455 N NE1 A TRP U 3 341 ? -22.441 19.965 -11.189 0.40 51.31 ? 359 TRP c NE1 1 +ATOM 35456 N NE1 B TRP U 3 341 ? -22.361 19.939 -11.204 0.60 51.34 ? 359 TRP c NE1 1 +ATOM 35457 C CE2 A TRP U 3 341 ? -23.784 20.229 -11.212 0.40 48.88 ? 359 TRP c CE2 1 +ATOM 35458 C CE2 B TRP U 3 341 ? -23.705 20.200 -11.206 0.60 48.86 ? 359 TRP c CE2 1 +ATOM 35459 C CE3 A TRP U 3 341 ? -25.225 22.149 -11.515 0.40 54.77 ? 359 TRP c CE3 1 +ATOM 35460 C CE3 B TRP U 3 341 ? -25.156 22.111 -11.476 0.60 54.86 ? 359 TRP c CE3 1 +ATOM 35461 C CZ2 A TRP U 3 341 ? -24.874 19.369 -11.048 0.40 50.00 ? 359 TRP c CZ2 1 +ATOM 35462 C CZ2 B TRP U 3 341 ? -24.789 19.338 -11.041 0.60 49.99 ? 359 TRP c CZ2 1 +ATOM 35463 C CZ3 A TRP U 3 341 ? -26.312 21.292 -11.356 0.40 49.29 ? 359 TRP c CZ3 1 +ATOM 35464 C CZ3 B TRP U 3 341 ? -26.237 21.251 -11.311 0.60 49.21 ? 359 TRP c CZ3 1 +ATOM 35465 C CH2 A TRP U 3 341 ? -26.126 19.918 -11.128 0.40 54.20 ? 359 TRP c CH2 1 +ATOM 35466 C CH2 B TRP U 3 341 ? -26.042 19.883 -11.098 0.60 54.28 ? 359 TRP c CH2 1 +ATOM 35467 N N A ASP U 3 342 ? -22.464 23.530 -8.415 0.40 50.67 ? 360 ASP c N 1 +ATOM 35468 N N B ASP U 3 342 ? -22.414 23.536 -8.425 0.60 50.53 ? 360 ASP c N 1 +ATOM 35469 C CA A ASP U 3 342 ? -23.401 23.480 -7.301 0.40 53.66 ? 360 ASP c CA 1 +ATOM 35470 C CA B ASP U 3 342 ? -23.331 23.488 -7.297 0.60 53.67 ? 360 ASP c CA 1 +ATOM 35471 C C A ASP U 3 342 ? -23.443 24.792 -6.532 0.40 57.69 ? 360 ASP c C 1 +ATOM 35472 C C B ASP U 3 342 ? -23.388 24.812 -6.549 0.60 57.77 ? 360 ASP c C 1 +ATOM 35473 O O A ASP U 3 342 ? -24.283 24.936 -5.634 0.40 54.43 ? 360 ASP c O 1 +ATOM 35474 O O B ASP U 3 342 ? -24.254 24.975 -5.683 0.60 54.39 ? 360 ASP c O 1 +ATOM 35475 C CB A ASP U 3 342 ? -23.034 22.345 -6.346 0.40 50.80 ? 360 ASP c CB 1 +ATOM 35476 C CB B ASP U 3 342 ? -22.929 22.371 -6.339 0.60 50.59 ? 360 ASP c CB 1 +ATOM 35477 C CG A ASP U 3 342 ? -22.902 21.029 -7.045 0.40 56.69 ? 360 ASP c CG 1 +ATOM 35478 C CG B ASP U 3 342 ? -22.835 21.039 -7.024 0.60 56.75 ? 360 ASP c CG 1 +ATOM 35479 O OD1 A ASP U 3 342 ? -23.926 20.504 -7.528 0.40 59.80 ? 360 ASP c OD1 1 +ATOM 35480 O OD1 B ASP U 3 342 ? -23.854 20.599 -7.603 0.60 60.20 ? 360 ASP c OD1 1 +ATOM 35481 O OD2 A ASP U 3 342 ? -21.764 20.519 -7.119 0.40 60.64 ? 360 ASP c OD2 1 +ATOM 35482 O OD2 B ASP U 3 342 ? -21.739 20.438 -7.000 0.60 61.31 ? 360 ASP c OD2 1 +ATOM 35483 N N A PHE U 3 343 ? -22.546 25.727 -6.844 0.40 51.13 ? 361 PHE c N 1 +ATOM 35484 N N B PHE U 3 343 ? -22.489 25.745 -6.859 0.60 50.90 ? 361 PHE c N 1 +ATOM 35485 C CA A PHE U 3 343 ? -22.514 27.004 -6.147 0.40 59.58 ? 361 PHE c CA 1 +ATOM 35486 C CA B PHE U 3 343 ? -22.466 27.016 -6.153 0.60 59.62 ? 361 PHE c CA 1 +ATOM 35487 C C A PHE U 3 343 ? -23.818 27.778 -6.323 0.40 62.36 ? 361 PHE c C 1 +ATOM 35488 C C B PHE U 3 343 ? -23.785 27.764 -6.321 0.60 62.53 ? 361 PHE c C 1 +ATOM 35489 O O A PHE U 3 343 ? -24.391 27.837 -7.413 0.40 58.63 ? 361 PHE c O 1 +ATOM 35490 O O B PHE U 3 343 ? -24.381 27.779 -7.401 0.60 58.64 ? 361 PHE c O 1 +ATOM 35491 C CB A PHE U 3 343 ? -21.366 27.874 -6.650 0.40 58.26 ? 361 PHE c CB 1 +ATOM 35492 C CB B PHE U 3 343 ? -21.324 27.899 -6.651 0.60 58.31 ? 361 PHE c CB 1 +ATOM 35493 C CG A PHE U 3 343 ? -21.480 29.303 -6.191 0.40 63.85 ? 361 PHE c CG 1 +ATOM 35494 C CG B PHE U 3 343 ? -21.443 29.317 -6.182 0.60 64.02 ? 361 PHE c CG 1 +ATOM 35495 C CD1 A PHE U 3 343 ? -21.117 29.651 -4.898 0.40 60.62 ? 361 PHE c CD1 1 +ATOM 35496 C CD1 B PHE U 3 343 ? -21.087 29.657 -4.885 0.60 60.66 ? 361 PHE c CD1 1 +ATOM 35497 C CD2 A PHE U 3 343 ? -22.002 30.285 -7.027 0.40 59.18 ? 361 PHE c CD2 1 +ATOM 35498 C CD2 B PHE U 3 343 ? -21.960 30.298 -7.012 0.60 59.20 ? 361 PHE c CD2 1 +ATOM 35499 C CE1 A PHE U 3 343 ? -21.248 30.951 -4.446 0.40 57.86 ? 361 PHE c CE1 1 +ATOM 35500 C CE1 B PHE U 3 343 ? -21.225 30.954 -4.429 0.60 57.78 ? 361 PHE c CE1 1 +ATOM 35501 C CE2 A PHE U 3 343 ? -22.138 31.592 -6.579 0.40 58.65 ? 361 PHE c CE2 1 +ATOM 35502 C CE2 B PHE U 3 343 ? -22.097 31.598 -6.563 0.60 58.63 ? 361 PHE c CE2 1 +ATOM 35503 C CZ A PHE U 3 343 ? -21.754 31.924 -5.286 0.40 62.40 ? 361 PHE c CZ 1 +ATOM 35504 C CZ B PHE U 3 343 ? -21.727 31.926 -5.267 0.60 62.44 ? 361 PHE c CZ 1 +ATOM 35505 N N A ARG U 3 344 ? -24.258 28.410 -5.241 0.40 56.32 ? 362 ARG c N 1 +ATOM 35506 N N B ARG U 3 344 ? -24.232 28.392 -5.238 0.60 56.27 ? 362 ARG c N 1 +ATOM 35507 C CA A ARG U 3 344 ? -25.425 29.277 -5.249 0.40 61.73 ? 362 ARG c CA 1 +ATOM 35508 C CA B ARG U 3 344 ? -25.391 29.271 -5.265 0.60 61.79 ? 362 ARG c CA 1 +ATOM 35509 C C A ARG U 3 344 ? -25.074 30.529 -4.467 0.40 63.34 ? 362 ARG c C 1 +ATOM 35510 C C B ARG U 3 344 ? -25.054 30.525 -4.473 0.60 63.41 ? 362 ARG c C 1 +ATOM 35511 O O A ARG U 3 344 ? -24.545 30.437 -3.355 0.40 63.03 ? 362 ARG c O 1 +ATOM 35512 O O B ARG U 3 344 ? -24.524 30.435 -3.361 0.60 63.13 ? 362 ARG c O 1 +ATOM 35513 C CB A ARG U 3 344 ? -26.646 28.596 -4.620 0.40 56.47 ? 362 ARG c CB 1 +ATOM 35514 C CB B ARG U 3 344 ? -26.631 28.587 -4.671 0.60 56.38 ? 362 ARG c CB 1 +ATOM 35515 C CG A ARG U 3 344 ? -26.889 27.159 -5.055 0.40 55.32 ? 362 ARG c CG 1 +ATOM 35516 C CG B ARG U 3 344 ? -26.894 27.178 -5.168 0.60 55.26 ? 362 ARG c CG 1 +ATOM 35517 C CD A ARG U 3 344 ? -27.479 27.056 -6.461 0.40 62.24 ? 362 ARG c CD 1 +ATOM 35518 C CD B ARG U 3 344 ? -27.519 27.157 -6.553 0.60 62.42 ? 362 ARG c CD 1 +ATOM 35519 N NE A ARG U 3 344 ? -28.802 27.660 -6.551 0.40 66.38 ? 362 ARG c NE 1 +ATOM 35520 N NE B ARG U 3 344 ? -28.865 27.719 -6.555 0.60 66.53 ? 362 ARG c NE 1 +ATOM 35521 C CZ A ARG U 3 344 ? -29.932 27.022 -6.283 0.40 62.47 ? 362 ARG c CZ 1 +ATOM 35522 C CZ B ARG U 3 344 ? -29.960 27.028 -6.274 0.60 62.49 ? 362 ARG c CZ 1 +ATOM 35523 N NH1 A ARG U 3 344 ? -29.935 25.764 -5.885 0.40 60.83 ? 362 ARG c NH1 1 +ATOM 35524 N NH1 B ARG U 3 344 ? -29.903 25.752 -5.946 0.60 60.72 ? 362 ARG c NH1 1 +ATOM 35525 N NH2 A ARG U 3 344 ? -31.089 27.665 -6.414 0.40 67.64 ? 362 ARG c NH2 1 +ATOM 35526 N NH2 B ARG U 3 344 ? -31.142 27.634 -6.325 0.60 67.71 ? 362 ARG c NH2 1 +ATOM 35527 N N . GLY U 3 345 ? -25.355 31.690 -5.042 1.00 63.63 ? 363 GLY c N 1 +ATOM 35528 C CA . GLY U 3 345 ? -25.108 32.943 -4.370 1.00 56.21 ? 363 GLY c CA 1 +ATOM 35529 C C . GLY U 3 345 ? -26.091 34.011 -4.810 1.00 67.26 ? 363 GLY c C 1 +ATOM 35530 O O . GLY U 3 345 ? -26.662 33.938 -5.901 1.00 64.81 ? 363 GLY c O 1 +ATOM 35531 N N . PRO U 3 346 ? -26.300 35.030 -3.969 1.00 68.21 ? 364 PRO c N 1 +ATOM 35532 C CA . PRO U 3 346 ? -27.327 36.042 -4.283 1.00 59.36 ? 364 PRO c CA 1 +ATOM 35533 C C . PRO U 3 346 ? -27.035 36.862 -5.528 1.00 60.89 ? 364 PRO c C 1 +ATOM 35534 O O . PRO U 3 346 ? -27.978 37.314 -6.187 1.00 62.79 ? 364 PRO c O 1 +ATOM 35535 C CB . PRO U 3 346 ? -27.352 36.921 -3.019 1.00 69.89 ? 364 PRO c CB 1 +ATOM 35536 C CG . PRO U 3 346 ? -26.058 36.632 -2.307 1.00 72.22 ? 364 PRO c CG 1 +ATOM 35537 C CD . PRO U 3 346 ? -25.752 35.198 -2.608 1.00 63.93 ? 364 PRO c CD 1 +ATOM 35538 N N A TRP U 3 347 ? -25.763 37.069 -5.869 0.40 61.50 ? 365 TRP c N 1 +ATOM 35539 N N B TRP U 3 347 ? -25.762 37.076 -5.876 0.60 61.49 ? 365 TRP c N 1 +ATOM 35540 C CA A TRP U 3 347 ? -25.443 37.796 -7.091 0.40 58.74 ? 365 TRP c CA 1 +ATOM 35541 C CA B TRP U 3 347 ? -25.440 37.808 -7.098 0.60 58.58 ? 365 TRP c CA 1 +ATOM 35542 C C A TRP U 3 347 ? -25.681 36.983 -8.363 0.40 66.32 ? 365 TRP c C 1 +ATOM 35543 C C B TRP U 3 347 ? -25.670 36.988 -8.364 0.60 66.40 ? 365 TRP c C 1 +ATOM 35544 O O A TRP U 3 347 ? -25.739 37.572 -9.449 0.40 65.40 ? 365 TRP c O 1 +ATOM 35545 O O B TRP U 3 347 ? -25.735 37.570 -9.454 0.60 65.46 ? 365 TRP c O 1 +ATOM 35546 C CB A TRP U 3 347 ? -23.990 38.271 -7.059 0.40 63.78 ? 365 TRP c CB 1 +ATOM 35547 C CB B TRP U 3 347 ? -23.991 38.294 -7.067 0.60 63.79 ? 365 TRP c CB 1 +ATOM 35548 C CG A TRP U 3 347 ? -22.991 37.179 -6.830 0.40 70.39 ? 365 TRP c CG 1 +ATOM 35549 C CG B TRP U 3 347 ? -22.978 37.207 -6.836 0.60 70.56 ? 365 TRP c CG 1 +ATOM 35550 C CD1 A TRP U 3 347 ? -22.536 36.719 -5.617 0.40 65.37 ? 365 TRP c CD1 1 +ATOM 35551 C CD1 B TRP U 3 347 ? -22.504 36.767 -5.625 0.60 65.39 ? 365 TRP c CD1 1 +ATOM 35552 C CD2 A TRP U 3 347 ? -22.310 36.408 -7.832 0.40 66.32 ? 365 TRP c CD2 1 +ATOM 35553 C CD2 B TRP U 3 347 ? -22.307 36.424 -7.837 0.60 66.35 ? 365 TRP c CD2 1 +ATOM 35554 N NE1 A TRP U 3 347 ? -21.622 35.709 -5.810 0.40 62.27 ? 365 TRP c NE1 1 +ATOM 35555 N NE1 B TRP U 3 347 ? -21.584 35.762 -5.816 0.60 62.24 ? 365 TRP c NE1 1 +ATOM 35556 C CE2 A TRP U 3 347 ? -21.467 35.495 -7.156 0.40 67.21 ? 365 TRP c CE2 1 +ATOM 35557 C CE2 B TRP U 3 347 ? -21.448 35.529 -7.161 0.60 67.35 ? 365 TRP c CE2 1 +ATOM 35558 C CE3 A TRP U 3 347 ? -22.335 36.395 -9.233 0.40 62.65 ? 365 TRP c CE3 1 +ATOM 35559 C CE3 B TRP U 3 347 ? -22.351 36.392 -9.233 0.60 62.62 ? 365 TRP c CE3 1 +ATOM 35560 C CZ2 A TRP U 3 347 ? -20.655 34.575 -7.837 0.40 58.54 ? 365 TRP c CZ2 1 +ATOM 35561 C CZ2 B TRP U 3 347 ? -20.641 34.609 -7.839 0.60 58.52 ? 365 TRP c CZ2 1 +ATOM 35562 C CZ3 A TRP U 3 347 ? -21.524 35.487 -9.908 0.40 65.06 ? 365 TRP c CZ3 1 +ATOM 35563 C CZ3 B TRP U 3 347 ? -21.547 35.481 -9.906 0.60 65.17 ? 365 TRP c CZ3 1 +ATOM 35564 C CH2 A TRP U 3 347 ? -20.692 34.592 -9.207 0.40 62.30 ? 365 TRP c CH2 1 +ATOM 35565 C CH2 B TRP U 3 347 ? -20.701 34.601 -9.206 0.60 62.36 ? 365 TRP c CH2 1 +ATOM 35566 N N . LEU U 3 348 ? -25.808 35.664 -8.255 1.00 58.78 ? 366 LEU c N 1 +ATOM 35567 C CA . LEU U 3 348 ? -25.898 34.800 -9.424 1.00 58.49 ? 366 LEU c CA 1 +ATOM 35568 C C . LEU U 3 348 ? -27.308 34.287 -9.707 1.00 68.63 ? 366 LEU c C 1 +ATOM 35569 O O . LEU U 3 348 ? -27.709 34.208 -10.874 1.00 63.59 ? 366 LEU c O 1 +ATOM 35570 C CB . LEU U 3 348 ? -24.938 33.611 -9.268 1.00 60.59 ? 366 LEU c CB 1 +ATOM 35571 C CG . LEU U 3 348 ? -24.824 32.661 -10.466 1.00 67.06 ? 366 LEU c CG 1 +ATOM 35572 C CD1 . LEU U 3 348 ? -24.498 33.435 -11.762 1.00 49.23 ? 366 LEU c CD1 1 +ATOM 35573 C CD2 . LEU U 3 348 ? -23.775 31.580 -10.176 1.00 56.97 ? 366 LEU c CD2 1 +ATOM 35574 N N . GLU U 3 349 ? -28.074 33.955 -8.668 1.00 60.60 ? 367 GLU c N 1 +ATOM 35575 C CA . GLU U 3 349 ? -29.408 33.374 -8.790 1.00 64.39 ? 367 GLU c CA 1 +ATOM 35576 C C . GLU U 3 349 ? -30.371 34.152 -9.695 1.00 62.78 ? 367 GLU c C 1 +ATOM 35577 O O . GLU U 3 349 ? -31.255 33.528 -10.294 1.00 70.51 ? 367 GLU c O 1 +ATOM 35578 C CB . GLU U 3 349 ? -30.025 33.207 -7.395 1.00 60.37 ? 367 GLU c CB 1 +ATOM 35579 C CG . GLU U 3 349 ? -29.220 32.277 -6.450 1.00 59.55 ? 367 GLU c CG 1 +ATOM 35580 C CD . GLU U 3 349 ? -28.641 31.049 -7.172 1.00 75.53 ? 367 GLU c CD 1 +ATOM 35581 O OE1 . GLU U 3 349 ? -29.428 30.168 -7.601 1.00 64.35 ? 367 GLU c OE1 1 +ATOM 35582 O OE2 . GLU U 3 349 ? -27.396 30.972 -7.316 1.00 66.07 ? 367 GLU c OE2 1 +ATOM 35583 N N . PRO U 3 350 ? -30.272 35.486 -9.824 1.00 64.59 ? 368 PRO c N 1 +ATOM 35584 C CA . PRO U 3 350 ? -31.149 36.174 -10.794 1.00 62.76 ? 368 PRO c CA 1 +ATOM 35585 C C . PRO U 3 350 ? -31.018 35.679 -12.226 1.00 69.47 ? 368 PRO c C 1 +ATOM 35586 O O . PRO U 3 350 ? -32.001 35.719 -12.973 1.00 57.77 ? 368 PRO c O 1 +ATOM 35587 C CB . PRO U 3 350 ? -30.714 37.636 -10.670 1.00 61.78 ? 368 PRO c CB 1 +ATOM 35588 C CG . PRO U 3 350 ? -30.268 37.763 -9.271 1.00 60.87 ? 368 PRO c CG 1 +ATOM 35589 C CD . PRO U 3 350 ? -29.616 36.464 -8.920 1.00 56.71 ? 368 PRO c CD 1 +ATOM 35590 N N . LEU U 3 351 ? -29.845 35.200 -12.633 1.00 68.11 ? 369 LEU c N 1 +ATOM 35591 C CA . LEU U 3 351 ? -29.674 34.689 -13.988 1.00 64.53 ? 369 LEU c CA 1 +ATOM 35592 C C . LEU U 3 351 ? -30.122 33.241 -14.141 1.00 60.73 ? 369 LEU c C 1 +ATOM 35593 O O . LEU U 3 351 ? -30.026 32.686 -15.235 1.00 67.46 ? 369 LEU c O 1 +ATOM 35594 C CB . LEU U 3 351 ? -28.213 34.840 -14.403 1.00 58.87 ? 369 LEU c CB 1 +ATOM 35595 C CG . LEU U 3 351 ? -27.776 36.286 -14.190 1.00 65.34 ? 369 LEU c CG 1 +ATOM 35596 C CD1 . LEU U 3 351 ? -26.264 36.421 -14.220 1.00 69.39 ? 369 LEU c CD1 1 +ATOM 35597 C CD2 . LEU U 3 351 ? -28.419 37.154 -15.262 1.00 68.94 ? 369 LEU c CD2 1 +ATOM 35598 N N . ARG U 3 352 ? -30.631 32.623 -13.087 1.00 68.22 ? 370 ARG c N 1 +ATOM 35599 C CA . ARG U 3 352 ? -30.932 31.202 -13.104 1.00 69.74 ? 370 ARG c CA 1 +ATOM 35600 C C . ARG U 3 352 ? -32.385 30.981 -13.514 1.00 68.42 ? 370 ARG c C 1 +ATOM 35601 O O . ARG U 3 352 ? -33.272 31.739 -13.122 1.00 82.98 ? 370 ARG c O 1 +ATOM 35602 C CB . ARG U 3 352 ? -30.649 30.606 -11.719 1.00 71.38 ? 370 ARG c CB 1 +ATOM 35603 C CG . ARG U 3 352 ? -30.741 29.088 -11.607 1.00 82.15 ? 370 ARG c CG 1 +ATOM 35604 C CD . ARG U 3 352 ? -29.367 28.414 -11.468 1.00 71.66 ? 370 ARG c CD 1 +ATOM 35605 N NE . ARG U 3 352 ? -28.537 28.944 -10.391 1.00 64.67 ? 370 ARG c NE 1 +ATOM 35606 C CZ . ARG U 3 352 ? -27.223 28.767 -10.325 1.00 64.04 ? 370 ARG c CZ 1 +ATOM 35607 N NH1 . ARG U 3 352 ? -26.575 28.087 -11.255 1.00 63.21 ? 370 ARG c NH1 1 +ATOM 35608 N NH2 . ARG U 3 352 ? -26.543 29.285 -9.308 1.00 59.81 ? 370 ARG c NH2 1 +ATOM 35609 N N . GLY U 3 353 ? -32.618 29.950 -14.326 1.00 74.24 ? 371 GLY c N 1 +ATOM 35610 C CA . GLY U 3 353 ? -33.954 29.536 -14.686 1.00 57.97 ? 371 GLY c CA 1 +ATOM 35611 C C . GLY U 3 353 ? -34.162 28.070 -14.373 1.00 66.59 ? 371 GLY c C 1 +ATOM 35612 O O . GLY U 3 353 ? -33.306 27.430 -13.761 1.00 75.57 ? 371 GLY c O 1 +ATOM 35613 N N . PRO U 3 354 ? -35.292 27.500 -14.807 1.00 76.22 ? 372 PRO c N 1 +ATOM 35614 C CA . PRO U 3 354 ? -35.564 26.080 -14.504 1.00 67.80 ? 372 PRO c CA 1 +ATOM 35615 C C . PRO U 3 354 ? -34.489 25.118 -14.976 1.00 64.32 ? 372 PRO c C 1 +ATOM 35616 O O . PRO U 3 354 ? -34.283 24.089 -14.329 1.00 76.87 ? 372 PRO c O 1 +ATOM 35617 C CB . PRO U 3 354 ? -36.888 25.810 -15.234 1.00 74.90 ? 372 PRO c CB 1 +ATOM 35618 C CG . PRO U 3 354 ? -37.500 27.122 -15.438 1.00 71.23 ? 372 PRO c CG 1 +ATOM 35619 C CD . PRO U 3 354 ? -36.376 28.112 -15.588 1.00 77.61 ? 372 PRO c CD 1 +ATOM 35620 N N . ASN U 3 355 ? -33.816 25.410 -16.088 1.00 70.34 ? 373 ASN c N 1 +ATOM 35621 C CA . ASN U 3 355 ? -32.823 24.527 -16.686 1.00 63.83 ? 373 ASN c CA 1 +ATOM 35622 C C . ASN U 3 355 ? -31.398 24.957 -16.384 1.00 57.44 ? 373 ASN c C 1 +ATOM 35623 O O . ASN U 3 355 ? -30.464 24.468 -17.026 1.00 63.58 ? 373 ASN c O 1 +ATOM 35624 C CB . ASN U 3 355 ? -33.018 24.473 -18.203 1.00 72.17 ? 373 ASN c CB 1 +ATOM 35625 C CG . ASN U 3 355 ? -34.361 23.917 -18.587 1.00 85.72 ? 373 ASN c CG 1 +ATOM 35626 O OD1 . ASN U 3 355 ? -34.826 22.936 -17.996 1.00 100.88 ? 373 ASN c OD1 1 +ATOM 35627 N ND2 . ASN U 3 355 ? -35.016 24.556 -19.547 1.00 72.67 ? 373 ASN c ND2 1 +ATOM 35628 N N . GLY U 3 356 ? -31.211 25.867 -15.447 1.00 58.48 ? 374 GLY c N 1 +ATOM 35629 C CA . GLY U 3 356 ? -29.918 26.437 -15.186 1.00 57.24 ? 374 GLY c CA 1 +ATOM 35630 C C . GLY U 3 356 ? -29.845 27.875 -15.645 1.00 61.43 ? 374 GLY c C 1 +ATOM 35631 O O . GLY U 3 356 ? -30.856 28.559 -15.821 1.00 69.47 ? 374 GLY c O 1 +ATOM 35632 N N . LEU U 3 357 ? -28.614 28.338 -15.840 1.00 59.21 ? 375 LEU c N 1 +ATOM 35633 C CA . LEU U 3 357 ? -28.386 29.679 -16.353 1.00 60.36 ? 375 LEU c CA 1 +ATOM 35634 C C . LEU U 3 357 ? -29.229 29.925 -17.600 1.00 60.37 ? 375 LEU c C 1 +ATOM 35635 O O . LEU U 3 357 ? -29.230 29.118 -18.536 1.00 60.41 ? 375 LEU c O 1 +ATOM 35636 C CB . LEU U 3 357 ? -26.902 29.867 -16.667 1.00 59.50 ? 375 LEU c CB 1 +ATOM 35637 C CG . LEU U 3 357 ? -25.966 29.761 -15.469 1.00 64.64 ? 375 LEU c CG 1 +ATOM 35638 C CD1 . LEU U 3 357 ? -24.536 29.963 -15.918 1.00 57.76 ? 375 LEU c CD1 1 +ATOM 35639 C CD2 . LEU U 3 357 ? -26.346 30.774 -14.395 1.00 64.53 ? 375 LEU c CD2 1 +ATOM 35640 N N . ASP U 3 358 ? -29.958 31.043 -17.593 1.00 76.02 ? 376 ASP c N 1 +ATOM 35641 C CA . ASP U 3 358 ? -30.910 31.395 -18.637 1.00 62.87 ? 376 ASP c CA 1 +ATOM 35642 C C . ASP U 3 358 ? -30.245 32.328 -19.638 1.00 70.90 ? 376 ASP c C 1 +ATOM 35643 O O . ASP U 3 358 ? -29.830 33.439 -19.282 1.00 67.50 ? 376 ASP c O 1 +ATOM 35644 C CB . ASP U 3 358 ? -32.161 32.045 -18.045 1.00 76.54 ? 376 ASP c CB 1 +ATOM 35645 C CG . ASP U 3 358 ? -33.298 32.137 -19.050 1.00 73.26 ? 376 ASP c CG 1 +ATOM 35646 O OD1 . ASP U 3 358 ? -33.140 32.841 -20.068 1.00 76.73 ? 376 ASP c OD1 1 +ATOM 35647 O OD2 . ASP U 3 358 ? -34.341 31.483 -18.831 1.00 91.62 ? 376 ASP c OD2 1 +ATOM 35648 N N . LEU U 3 359 ? -30.170 31.879 -20.896 1.00 61.96 ? 377 LEU c N 1 +ATOM 35649 C CA . LEU U 3 359 ? -29.467 32.642 -21.919 1.00 66.27 ? 377 LEU c CA 1 +ATOM 35650 C C . LEU U 3 359 ? -30.147 33.981 -22.194 1.00 67.85 ? 377 LEU c C 1 +ATOM 35651 O O . LEU U 3 359 ? -29.470 34.975 -22.487 1.00 69.22 ? 377 LEU c O 1 +ATOM 35652 C CB . LEU U 3 359 ? -29.365 31.805 -23.197 1.00 70.80 ? 377 LEU c CB 1 +ATOM 35653 C CG . LEU U 3 359 ? -28.434 32.336 -24.278 1.00 77.83 ? 377 LEU c CG 1 +ATOM 35654 C CD1 . LEU U 3 359 ? -27.027 32.533 -23.697 1.00 70.96 ? 377 LEU c CD1 1 +ATOM 35655 C CD2 . LEU U 3 359 ? -28.414 31.383 -25.457 1.00 78.70 ? 377 LEU c CD2 1 +ATOM 35656 N N . ASN U 3 360 ? -31.474 34.040 -22.092 1.00 62.55 ? 378 ASN c N 1 +ATOM 35657 C CA . ASN U 3 360 ? -32.149 35.321 -22.283 1.00 80.14 ? 378 ASN c CA 1 +ATOM 35658 C C . ASN U 3 360 ? -31.827 36.287 -21.150 1.00 78.47 ? 378 ASN c C 1 +ATOM 35659 O O . ASN U 3 360 ? -31.563 37.471 -21.399 1.00 70.37 ? 378 ASN c O 1 +ATOM 35660 C CB . ASN U 3 360 ? -33.657 35.112 -22.415 1.00 70.93 ? 378 ASN c CB 1 +ATOM 35661 C CG . ASN U 3 360 ? -34.037 34.500 -23.751 1.00 87.87 ? 378 ASN c CG 1 +ATOM 35662 O OD1 . ASN U 3 360 ? -33.636 34.996 -24.811 1.00 84.85 ? 378 ASN c OD1 1 +ATOM 35663 N ND2 . ASN U 3 360 ? -34.796 33.410 -23.711 1.00 85.58 ? 378 ASN c ND2 1 +ATOM 35664 N N . LYS U 3 361 ? -31.829 35.796 -19.900 1.00 64.88 ? 379 LYS c N 1 +ATOM 35665 C CA . LYS U 3 361 ? -31.461 36.644 -18.772 1.00 55.63 ? 379 LYS c CA 1 +ATOM 35666 C C . LYS U 3 361 ? -30.005 37.077 -18.857 1.00 64.49 ? 379 LYS c C 1 +ATOM 35667 O O . LYS U 3 361 ? -29.666 38.213 -18.509 1.00 65.59 ? 379 LYS c O 1 +ATOM 35668 C CB . LYS U 3 361 ? -31.733 35.923 -17.455 1.00 61.26 ? 379 LYS c CB 1 +ATOM 35669 C CG . LYS U 3 361 ? -33.201 35.656 -17.204 1.00 67.17 ? 379 LYS c CG 1 +ATOM 35670 C CD . LYS U 3 361 ? -33.417 34.977 -15.874 1.00 68.97 ? 379 LYS c CD 1 +ATOM 35671 C CE . LYS U 3 361 ? -34.874 34.580 -15.699 1.00 87.91 ? 379 LYS c CE 1 +ATOM 35672 N NZ . LYS U 3 361 ? -35.009 33.363 -14.838 1.00 93.90 ? 379 LYS c NZ 1 +ATOM 35673 N N . ILE U 3 362 ? -29.127 36.182 -19.311 1.00 60.22 ? 380 ILE c N 1 +ATOM 35674 C CA . ILE U 3 362 ? -27.730 36.544 -19.553 1.00 63.33 ? 380 ILE c CA 1 +ATOM 35675 C C . ILE U 3 362 ? -27.633 37.625 -20.627 1.00 67.30 ? 380 ILE c C 1 +ATOM 35676 O O . ILE U 3 362 ? -26.804 38.541 -20.538 1.00 63.32 ? 380 ILE c O 1 +ATOM 35677 C CB . ILE U 3 362 ? -26.924 35.287 -19.942 1.00 66.35 ? 380 ILE c CB 1 +ATOM 35678 C CG1 . ILE U 3 362 ? -26.650 34.425 -18.705 1.00 68.20 ? 380 ILE c CG1 1 +ATOM 35679 C CG2 . ILE U 3 362 ? -25.639 35.665 -20.674 1.00 56.22 ? 380 ILE c CG2 1 +ATOM 35680 C CD1 . ILE U 3 362 ? -26.265 33.007 -19.027 1.00 62.81 ? 380 ILE c CD1 1 +ATOM 35681 N N . LYS U 3 363 ? -28.477 37.539 -21.661 1.00 64.96 ? 381 LYS c N 1 +ATOM 35682 C CA . LYS U 3 363 ? -28.376 38.484 -22.775 1.00 67.01 ? 381 LYS c CA 1 +ATOM 35683 C C . LYS U 3 363 ? -28.891 39.872 -22.413 1.00 69.09 ? 381 LYS c C 1 +ATOM 35684 O O . LYS U 3 363 ? -28.374 40.868 -22.933 1.00 61.57 ? 381 LYS c O 1 +ATOM 35685 C CB . LYS U 3 363 ? -29.144 37.962 -23.985 1.00 66.03 ? 381 LYS c CB 1 +ATOM 35686 C CG . LYS U 3 363 ? -28.341 37.129 -24.930 1.00 69.55 ? 381 LYS c CG 1 +ATOM 35687 C CD . LYS U 3 363 ? -29.269 36.493 -25.951 1.00 75.01 ? 381 LYS c CD 1 +ATOM 35688 C CE . LYS U 3 363 ? -28.489 35.731 -26.983 1.00 78.13 ? 381 LYS c CE 1 +ATOM 35689 N NZ . LYS U 3 363 ? -29.348 35.304 -28.132 1.00 93.91 ? 381 LYS c NZ 1 +ATOM 35690 N N . ASN U 3 364 ? -29.894 39.962 -21.531 1.00 66.06 ? 382 ASN c N 1 +ATOM 35691 C CA . ASN U 3 364 ? -30.619 41.208 -21.279 1.00 69.66 ? 382 ASN c CA 1 +ATOM 35692 C C . ASN U 3 364 ? -30.491 41.760 -19.866 1.00 74.00 ? 382 ASN c C 1 +ATOM 35693 O O . ASN U 3 364 ? -30.483 42.978 -19.704 1.00 79.91 ? 382 ASN c O 1 +ATOM 35694 C CB . ASN U 3 364 ? -32.113 41.005 -21.577 1.00 70.79 ? 382 ASN c CB 1 +ATOM 35695 C CG . ASN U 3 364 ? -32.368 40.632 -23.012 1.00 77.74 ? 382 ASN c CG 1 +ATOM 35696 O OD1 . ASN U 3 364 ? -31.852 41.277 -23.917 1.00 76.61 ? 382 ASN c OD1 1 +ATOM 35697 N ND2 . ASN U 3 364 ? -33.150 39.580 -23.231 1.00 69.02 ? 382 ASN c ND2 1 +ATOM 35698 N N . ASP U 3 365 ? -30.397 40.915 -18.832 1.00 67.41 ? 383 ASP c N 1 +ATOM 35699 C CA . ASP U 3 365 ? -30.766 41.312 -17.479 1.00 63.62 ? 383 ASP c CA 1 +ATOM 35700 C C . ASP U 3 365 ? -29.591 41.427 -16.505 1.00 69.68 ? 383 ASP c C 1 +ATOM 35701 O O . ASP U 3 365 ? -29.814 41.507 -15.296 1.00 71.80 ? 383 ASP c O 1 +ATOM 35702 C CB . ASP U 3 365 ? -31.804 40.336 -16.920 1.00 69.47 ? 383 ASP c CB 1 +ATOM 35703 C CG . ASP U 3 365 ? -33.134 40.417 -17.649 1.00 73.53 ? 383 ASP c CG 1 +ATOM 35704 O OD1 . ASP U 3 365 ? -33.652 41.536 -17.823 1.00 117.96 ? 383 ASP c OD1 1 +ATOM 35705 O OD2 . ASP U 3 365 ? -33.666 39.365 -18.056 1.00 92.49 ? 383 ASP c OD2 1 +ATOM 35706 N N . ILE U 3 366 ? -28.350 41.458 -16.978 1.00 69.40 ? 384 ILE c N 1 +ATOM 35707 C CA . ILE U 3 366 ? -27.223 41.519 -16.050 1.00 70.96 ? 384 ILE c CA 1 +ATOM 35708 C C . ILE U 3 366 ? -27.055 42.965 -15.601 1.00 68.06 ? 384 ILE c C 1 +ATOM 35709 O O . ILE U 3 366 ? -26.708 43.837 -16.400 1.00 81.64 ? 384 ILE c O 1 +ATOM 35710 C CB . ILE U 3 366 ? -25.934 40.969 -16.672 1.00 70.05 ? 384 ILE c CB 1 +ATOM 35711 C CG1 . ILE U 3 366 ? -26.086 39.469 -16.975 1.00 71.41 ? 384 ILE c CG1 1 +ATOM 35712 C CG2 . ILE U 3 366 ? -24.750 41.204 -15.734 1.00 56.85 ? 384 ILE c CG2 1 +ATOM 35713 C CD1 . ILE U 3 366 ? -24.859 38.831 -17.589 1.00 59.40 ? 384 ILE c CD1 1 +ATOM 35714 N N . GLN U 3 367 ? -27.290 43.217 -14.314 1.00 73.91 ? 385 GLN c N 1 +ATOM 35715 C CA . GLN U 3 367 ? -27.205 44.550 -13.732 1.00 66.26 ? 385 GLN c CA 1 +ATOM 35716 C C . GLN U 3 367 ? -25.762 44.917 -13.422 1.00 73.15 ? 385 GLN c C 1 +ATOM 35717 O O . GLN U 3 367 ? -24.906 44.042 -13.269 1.00 72.29 ? 385 GLN c O 1 +ATOM 35718 C CB . GLN U 3 367 ? -28.024 44.617 -12.451 1.00 65.77 ? 385 GLN c CB 1 +ATOM 35719 C CG . GLN U 3 367 ? -29.453 44.226 -12.639 1.00 70.39 ? 385 GLN c CG 1 +ATOM 35720 C CD . GLN U 3 367 ? -30.067 44.965 -13.798 1.00 97.81 ? 385 GLN c CD 1 +ATOM 35721 O OE1 . GLN U 3 367 ? -29.951 46.192 -13.900 1.00 94.51 ? 385 GLN c OE1 1 +ATOM 35722 N NE2 . GLN U 3 367 ? -30.707 44.224 -14.698 1.00 102.23 ? 385 GLN c NE2 1 +ATOM 35723 N N . PRO U 3 368 ? -25.462 46.210 -13.313 1.00 71.95 ? 386 PRO c N 1 +ATOM 35724 C CA . PRO U 3 368 ? -24.079 46.597 -12.992 1.00 79.66 ? 386 PRO c CA 1 +ATOM 35725 C C . PRO U 3 368 ? -23.627 46.150 -11.615 1.00 64.87 ? 386 PRO c C 1 +ATOM 35726 O O . PRO U 3 368 ? -22.424 45.962 -11.401 1.00 64.20 ? 386 PRO c O 1 +ATOM 35727 C CB . PRO U 3 368 ? -24.105 48.128 -13.126 1.00 70.30 ? 386 PRO c CB 1 +ATOM 35728 C CG . PRO U 3 368 ? -25.164 48.371 -14.157 1.00 60.26 ? 386 PRO c CG 1 +ATOM 35729 C CD . PRO U 3 368 ? -26.230 47.338 -13.877 1.00 81.53 ? 386 PRO c CD 1 +ATOM 35730 N N . TRP U 3 369 ? -24.536 45.983 -10.661 1.00 60.80 ? 387 TRP c N 1 +ATOM 35731 C CA . TRP U 3 369 ? -24.068 45.537 -9.357 1.00 71.67 ? 387 TRP c CA 1 +ATOM 35732 C C . TRP U 3 369 ? -23.585 44.086 -9.426 1.00 72.39 ? 387 TRP c C 1 +ATOM 35733 O O . TRP U 3 369 ? -22.664 43.703 -8.697 1.00 65.94 ? 387 TRP c O 1 +ATOM 35734 C CB . TRP U 3 369 ? -25.163 45.723 -8.308 1.00 59.98 ? 387 TRP c CB 1 +ATOM 35735 C CG . TRP U 3 369 ? -26.349 44.836 -8.486 1.00 67.13 ? 387 TRP c CG 1 +ATOM 35736 C CD1 . TRP U 3 369 ? -27.490 45.118 -9.191 1.00 64.70 ? 387 TRP c CD1 1 +ATOM 35737 C CD2 . TRP U 3 369 ? -26.520 43.519 -7.951 1.00 62.12 ? 387 TRP c CD2 1 +ATOM 35738 N NE1 . TRP U 3 369 ? -28.362 44.054 -9.117 1.00 71.72 ? 387 TRP c NE1 1 +ATOM 35739 C CE2 . TRP U 3 369 ? -27.791 43.063 -8.357 1.00 69.41 ? 387 TRP c CE2 1 +ATOM 35740 C CE3 . TRP U 3 369 ? -25.724 42.684 -7.164 1.00 61.85 ? 387 TRP c CE3 1 +ATOM 35741 C CZ2 . TRP U 3 369 ? -28.275 41.799 -8.015 1.00 68.39 ? 387 TRP c CZ2 1 +ATOM 35742 C CZ3 . TRP U 3 369 ? -26.215 41.440 -6.804 1.00 63.04 ? 387 TRP c CZ3 1 +ATOM 35743 C CH2 . TRP U 3 369 ? -27.476 41.005 -7.239 1.00 60.53 ? 387 TRP c CH2 1 +ATOM 35744 N N . GLN U 3 370 ? -24.170 43.286 -10.319 1.00 69.88 ? 388 GLN c N 1 +ATOM 35745 C CA . GLN U 3 370 ? -23.688 41.926 -10.535 1.00 66.71 ? 388 GLN c CA 1 +ATOM 35746 C C . GLN U 3 370 ? -22.302 41.931 -11.161 1.00 61.87 ? 388 GLN c C 1 +ATOM 35747 O O . GLN U 3 370 ? -21.416 41.184 -10.738 1.00 61.30 ? 388 GLN c O 1 +ATOM 35748 C CB . GLN U 3 370 ? -24.677 41.167 -11.404 1.00 55.36 ? 388 GLN c CB 1 +ATOM 35749 C CG . GLN U 3 370 ? -25.995 40.951 -10.709 1.00 60.81 ? 388 GLN c CG 1 +ATOM 35750 C CD . GLN U 3 370 ? -27.039 40.387 -11.630 1.00 63.46 ? 388 GLN c CD 1 +ATOM 35751 O OE1 . GLN U 3 370 ? -27.467 41.043 -12.576 1.00 72.52 ? 388 GLN c OE1 1 +ATOM 35752 N NE2 . GLN U 3 370 ? -27.462 39.166 -11.362 1.00 64.62 ? 388 GLN c NE2 1 +ATOM 35753 N N . GLU U 3 371 ? -22.087 42.794 -12.145 1.00 64.24 ? 389 GLU c N 1 +ATOM 35754 C CA . GLU U 3 371 ? -20.756 42.933 -12.716 1.00 59.85 ? 389 GLU c CA 1 +ATOM 35755 C C . GLU U 3 371 ? -19.745 43.341 -11.648 1.00 67.24 ? 389 GLU c C 1 +ATOM 35756 O O . GLU U 3 371 ? -18.673 42.733 -11.535 1.00 61.54 ? 389 GLU c O 1 +ATOM 35757 C CB . GLU U 3 371 ? -20.788 43.945 -13.863 1.00 57.68 ? 389 GLU c CB 1 +ATOM 35758 C CG . GLU U 3 371 ? -19.432 44.142 -14.503 1.00 64.94 ? 389 GLU c CG 1 +ATOM 35759 C CD . GLU U 3 371 ? -19.478 44.939 -15.793 1.00 71.42 ? 389 GLU c CD 1 +ATOM 35760 O OE1 . GLU U 3 371 ? -20.588 45.193 -16.330 1.00 65.44 ? 389 GLU c OE1 1 +ATOM 35761 O OE2 . GLU U 3 371 ? -18.384 45.316 -16.259 1.00 66.20 ? 389 GLU c OE2 1 +ATOM 35762 N N . ARG U 3 372 ? -20.077 44.378 -10.859 1.00 61.71 ? 390 ARG c N 1 +ATOM 35763 C CA . ARG U 3 372 ? -19.215 44.823 -9.763 1.00 67.20 ? 390 ARG c CA 1 +ATOM 35764 C C . ARG U 3 372 ? -18.911 43.677 -8.808 1.00 60.63 ? 390 ARG c C 1 +ATOM 35765 O O . ARG U 3 372 ? -17.755 43.446 -8.441 1.00 60.10 ? 390 ARG c O 1 +ATOM 35766 C CB . ARG U 3 372 ? -19.878 45.965 -8.982 1.00 58.55 ? 390 ARG c CB 1 +ATOM 35767 C CG . ARG U 3 372 ? -19.600 47.350 -9.499 1.00 68.97 ? 390 ARG c CG 1 +ATOM 35768 C CD . ARG U 3 372 ? -19.940 48.440 -8.464 1.00 68.92 ? 390 ARG c CD 1 +ATOM 35769 N NE . ARG U 3 372 ? -21.266 48.304 -7.861 1.00 64.40 ? 390 ARG c NE 1 +ATOM 35770 C CZ . ARG U 3 372 ? -22.400 48.705 -8.424 1.00 72.19 ? 390 ARG c CZ 1 +ATOM 35771 N NH1 . ARG U 3 372 ? -22.423 49.238 -9.638 1.00 64.46 ? 390 ARG c NH1 1 +ATOM 35772 N NH2 . ARG U 3 372 ? -23.541 48.563 -7.753 1.00 59.99 ? 390 ARG c NH2 1 +ATOM 35773 N N A ARG U 3 373 ? -19.956 42.978 -8.372 0.50 58.74 ? 391 ARG c N 1 +ATOM 35774 N N B ARG U 3 373 ? -19.938 42.927 -8.404 0.50 58.70 ? 391 ARG c N 1 +ATOM 35775 C CA A ARG U 3 373 ? -19.763 41.916 -7.395 0.50 62.47 ? 391 ARG c CA 1 +ATOM 35776 C CA B ARG U 3 373 ? -19.737 41.872 -7.416 0.50 62.53 ? 391 ARG c CA 1 +ATOM 35777 C C A ARG U 3 373 ? -18.879 40.802 -7.949 0.50 68.28 ? 391 ARG c C 1 +ATOM 35778 C C B ARG U 3 373 ? -18.834 40.765 -7.956 0.50 68.27 ? 391 ARG c C 1 +ATOM 35779 O O A ARG U 3 373 ? -17.994 40.297 -7.246 0.50 63.73 ? 391 ARG c O 1 +ATOM 35780 O O B ARG U 3 373 ? -17.904 40.318 -7.269 0.50 63.64 ? 391 ARG c O 1 +ATOM 35781 C CB A ARG U 3 373 ? -21.115 41.352 -6.961 0.50 66.14 ? 391 ARG c CB 1 +ATOM 35782 C CB B ARG U 3 373 ? -21.086 41.300 -6.976 0.50 66.17 ? 391 ARG c CB 1 +ATOM 35783 C CG A ARG U 3 373 ? -21.019 40.397 -5.779 0.50 64.83 ? 391 ARG c CG 1 +ATOM 35784 C CG B ARG U 3 373 ? -21.565 41.792 -5.616 0.50 76.78 ? 391 ARG c CG 1 +ATOM 35785 C CD A ARG U 3 373 ? -21.254 41.137 -4.482 0.50 70.40 ? 391 ARG c CD 1 +ATOM 35786 C CD B ARG U 3 373 ? -20.539 41.516 -4.529 0.50 68.57 ? 391 ARG c CD 1 +ATOM 35787 N NE A ARG U 3 373 ? -22.665 41.446 -4.295 0.50 80.45 ? 391 ARG c NE 1 +ATOM 35788 N NE B ARG U 3 373 ? -20.136 42.741 -3.851 0.50 69.42 ? 391 ARG c NE 1 +ATOM 35789 C CZ A ARG U 3 373 ? -23.126 42.315 -3.410 0.50 68.22 ? 391 ARG c CZ 1 +ATOM 35790 C CZ B ARG U 3 373 ? -20.315 42.990 -2.562 0.50 72.75 ? 391 ARG c CZ 1 +ATOM 35791 N NH1 A ARG U 3 373 ? -22.310 43.001 -2.629 0.50 76.85 ? 391 ARG c NH1 1 +ATOM 35792 N NH1 B ARG U 3 373 ? -20.845 42.091 -1.749 0.50 74.17 ? 391 ARG c NH1 1 +ATOM 35793 N NH2 A ARG U 3 373 ? -24.441 42.501 -3.308 0.50 86.80 ? 391 ARG c NH2 1 +ATOM 35794 N NH2 B ARG U 3 373 ? -19.942 44.170 -2.073 0.50 93.99 ? 391 ARG c NH2 1 +ATOM 35795 N N A ALA U 3 374 ? -19.115 40.381 -9.200 0.40 64.60 ? 392 ALA c N 1 +ATOM 35796 N N B ALA U 3 374 ? -19.100 40.300 -9.181 0.60 64.75 ? 392 ALA c N 1 +ATOM 35797 C CA A ALA U 3 374 ? -18.339 39.280 -9.782 0.40 61.92 ? 392 ALA c CA 1 +ATOM 35798 C CA B ALA U 3 374 ? -18.288 39.228 -9.760 0.60 61.94 ? 392 ALA c CA 1 +ATOM 35799 C C A ALA U 3 374 ? -16.871 39.651 -9.921 0.40 57.48 ? 392 ALA c C 1 +ATOM 35800 C C B ALA U 3 374 ? -16.833 39.648 -9.892 0.60 57.54 ? 392 ALA c C 1 +ATOM 35801 O O A ALA U 3 374 ? -15.989 38.813 -9.701 0.40 54.29 ? 392 ALA c O 1 +ATOM 35802 O O B ALA U 3 374 ? -15.924 38.845 -9.651 0.60 54.28 ? 392 ALA c O 1 +ATOM 35803 C CB A ALA U 3 374 ? -18.905 38.877 -11.145 0.40 53.97 ? 392 ALA c CB 1 +ATOM 35804 C CB B ALA U 3 374 ? -18.839 38.813 -11.124 0.60 53.78 ? 392 ALA c CB 1 +ATOM 35805 N N . ALA U 3 375 ? -16.589 40.906 -10.270 1.00 52.68 ? 393 ALA c N 1 +ATOM 35806 C CA . ALA U 3 375 ? -15.212 41.364 -10.389 1.00 60.24 ? 393 ALA c CA 1 +ATOM 35807 C C . ALA U 3 375 ? -14.544 41.417 -9.023 1.00 63.15 ? 393 ALA c C 1 +ATOM 35808 O O . ALA U 3 375 ? -13.367 41.056 -8.875 1.00 56.79 ? 393 ALA c O 1 +ATOM 35809 C CB . ALA U 3 375 ? -15.185 42.742 -11.056 1.00 58.87 ? 393 ALA c CB 1 +ATOM 35810 N N A GLU U 3 376 ? -15.286 41.860 -8.013 0.40 59.81 ? 394 GLU c N 1 +ATOM 35811 N N B GLU U 3 376 ? -15.276 41.878 -8.007 0.60 59.90 ? 394 GLU c N 1 +ATOM 35812 C CA A GLU U 3 376 ? -14.730 41.958 -6.670 0.40 55.74 ? 394 GLU c CA 1 +ATOM 35813 C CA B GLU U 3 376 ? -14.716 41.960 -6.663 0.60 55.63 ? 394 GLU c CA 1 +ATOM 35814 C C A GLU U 3 376 ? -14.379 40.572 -6.140 0.40 58.45 ? 394 GLU c C 1 +ATOM 35815 C C B GLU U 3 376 ? -14.368 40.570 -6.144 0.60 58.57 ? 394 GLU c C 1 +ATOM 35816 O O A GLU U 3 376 ? -13.277 40.349 -5.621 0.40 54.54 ? 394 GLU c O 1 +ATOM 35817 O O B GLU U 3 376 ? -13.266 40.343 -5.630 0.60 54.53 ? 394 GLU c O 1 +ATOM 35818 C CB A GLU U 3 376 ? -15.726 42.682 -5.752 0.40 57.68 ? 394 GLU c CB 1 +ATOM 35819 C CB B GLU U 3 376 ? -15.709 42.677 -5.740 0.60 57.64 ? 394 GLU c CB 1 +ATOM 35820 C CG A GLU U 3 376 ? -15.439 42.608 -4.238 0.40 57.51 ? 394 GLU c CG 1 +ATOM 35821 C CG B GLU U 3 376 ? -15.436 42.596 -4.230 0.60 57.44 ? 394 GLU c CG 1 +ATOM 35822 C CD A GLU U 3 376 ? -14.235 43.442 -3.809 0.40 60.88 ? 394 GLU c CD 1 +ATOM 35823 C CD B GLU U 3 376 ? -14.246 43.436 -3.768 0.60 60.90 ? 394 GLU c CD 1 +ATOM 35824 O OE1 A GLU U 3 376 ? -13.684 44.182 -4.644 0.40 61.72 ? 394 GLU c OE1 1 +ATOM 35825 O OE1 B GLU U 3 376 ? -13.656 44.180 -4.580 0.60 61.77 ? 394 GLU c OE1 1 +ATOM 35826 O OE2 A GLU U 3 376 ? -13.840 43.369 -2.627 0.40 62.55 ? 394 GLU c OE2 1 +ATOM 35827 O OE2 B GLU U 3 376 ? -13.897 43.346 -2.576 0.60 62.63 ? 394 GLU c OE2 1 +ATOM 35828 N N A TYR U 3 377 ? -15.296 39.618 -6.305 0.40 53.57 ? 395 TYR c N 1 +ATOM 35829 N N B TYR U 3 377 ? -15.285 39.615 -6.316 0.60 53.44 ? 395 TYR c N 1 +ATOM 35830 C CA A TYR U 3 377 ? -15.105 38.279 -5.760 0.40 60.74 ? 395 TYR c CA 1 +ATOM 35831 C CA B TYR U 3 377 ? -15.091 38.281 -5.756 0.60 60.88 ? 395 TYR c CA 1 +ATOM 35832 C C A TYR U 3 377 ? -14.050 37.497 -6.540 0.40 58.41 ? 395 TYR c C 1 +ATOM 35833 C C B TYR U 3 377 ? -14.005 37.512 -6.505 0.60 58.53 ? 395 TYR c C 1 +ATOM 35834 O O A TYR U 3 377 ? -13.286 36.727 -5.953 0.40 58.81 ? 395 TYR c O 1 +ATOM 35835 O O B TYR U 3 377 ? -13.213 36.789 -5.891 0.60 59.02 ? 395 TYR c O 1 +ATOM 35836 C CB A TYR U 3 377 ? -16.441 37.533 -5.743 0.40 54.50 ? 395 TYR c CB 1 +ATOM 35837 C CB B TYR U 3 377 ? -16.422 37.524 -5.763 0.60 54.38 ? 395 TYR c CB 1 +ATOM 35838 C CG A TYR U 3 377 ? -17.378 38.007 -4.643 0.40 59.60 ? 395 TYR c CG 1 +ATOM 35839 C CG B TYR U 3 377 ? -17.367 37.995 -4.668 0.60 59.64 ? 395 TYR c CG 1 +ATOM 35840 C CD1 A TYR U 3 377 ? -16.935 38.884 -3.657 0.40 59.39 ? 395 TYR c CD1 1 +ATOM 35841 C CD1 B TYR U 3 377 ? -16.926 38.866 -3.671 0.60 59.41 ? 395 TYR c CD1 1 +ATOM 35842 C CD2 A TYR U 3 377 ? -18.690 37.562 -4.580 0.40 57.76 ? 395 TYR c CD2 1 +ATOM 35843 C CD2 B TYR U 3 377 ? -18.685 37.564 -4.620 0.60 57.63 ? 395 TYR c CD2 1 +ATOM 35844 C CE1 A TYR U 3 377 ? -17.783 39.315 -2.640 0.40 60.33 ? 395 TYR c CE1 1 +ATOM 35845 C CE1 B TYR U 3 377 ? -17.776 39.296 -2.657 0.60 60.35 ? 395 TYR c CE1 1 +ATOM 35846 C CE2 A TYR U 3 377 ? -19.547 37.986 -3.567 0.40 60.01 ? 395 TYR c CE2 1 +ATOM 35847 C CE2 B TYR U 3 377 ? -19.544 37.984 -3.602 0.60 59.97 ? 395 TYR c CE2 1 +ATOM 35848 C CZ A TYR U 3 377 ? -19.090 38.860 -2.604 0.40 64.81 ? 395 TYR c CZ 1 +ATOM 35849 C CZ B TYR U 3 377 ? -19.085 38.851 -2.630 0.60 64.90 ? 395 TYR c CZ 1 +ATOM 35850 O OH A TYR U 3 377 ? -19.942 39.271 -1.600 0.40 60.58 ? 395 TYR c OH 1 +ATOM 35851 O OH B TYR U 3 377 ? -19.940 39.272 -1.628 0.60 60.56 ? 395 TYR c OH 1 +ATOM 35852 N N A MET U 3 378 ? -13.983 37.695 -7.859 0.40 59.41 ? 396 MET c N 1 +ATOM 35853 N N B MET U 3 378 ? -13.941 37.681 -7.827 0.60 59.47 ? 396 MET c N 1 +ATOM 35854 C CA A MET U 3 378 ? -12.931 37.075 -8.654 0.40 58.52 ? 396 MET c CA 1 +ATOM 35855 C CA B MET U 3 378 ? -12.874 37.080 -8.620 0.60 58.48 ? 396 MET c CA 1 +ATOM 35856 C C A MET U 3 378 ? -11.542 37.566 -8.248 0.40 61.02 ? 396 MET c C 1 +ATOM 35857 C C B MET U 3 378 ? -11.499 37.589 -8.194 0.60 61.16 ? 396 MET c C 1 +ATOM 35858 O O A MET U 3 378 ? -10.568 36.803 -8.313 0.40 55.69 ? 396 MET c O 1 +ATOM 35859 O O B MET U 3 378 ? -10.509 36.843 -8.234 0.60 55.67 ? 396 MET c O 1 +ATOM 35860 C CB A MET U 3 378 ? -13.184 37.355 -10.133 0.40 62.08 ? 396 MET c CB 1 +ATOM 35861 C CB B MET U 3 378 ? -13.114 37.378 -10.102 0.60 62.14 ? 396 MET c CB 1 +ATOM 35862 C CG A MET U 3 378 ? -11.941 37.378 -10.947 0.40 61.19 ? 396 MET c CG 1 +ATOM 35863 C CG B MET U 3 378 ? -11.871 37.278 -10.936 0.60 61.40 ? 396 MET c CG 1 +ATOM 35864 S SD A MET U 3 378 ? -12.171 37.847 -12.660 0.40 58.62 ? 396 MET c SD 1 +ATOM 35865 S SD B MET U 3 378 ? -12.011 37.890 -12.619 0.60 59.08 ? 396 MET c SD 1 +ATOM 35866 C CE A MET U 3 378 ? -10.444 37.789 -13.118 0.40 52.81 ? 396 MET c CE 1 +ATOM 35867 C CE B MET U 3 378 ? -10.272 37.859 -13.033 0.60 52.35 ? 396 MET c CE 1 +ATOM 35868 N N A THR U 3 379 ? -11.425 38.825 -7.828 0.40 57.56 ? 397 THR c N 1 +ATOM 35869 N N B THR U 3 379 ? -11.409 38.860 -7.802 0.60 57.63 ? 397 THR c N 1 +ATOM 35870 C CA A THR U 3 379 ? -10.135 39.389 -7.445 0.40 54.71 ? 397 THR c CA 1 +ATOM 35871 C CA B THR U 3 379 ? -10.130 39.444 -7.421 0.60 54.62 ? 397 THR c CA 1 +ATOM 35872 C C A THR U 3 379 ? -9.864 39.276 -5.955 0.40 54.20 ? 397 THR c C 1 +ATOM 35873 C C B THR U 3 379 ? -9.844 39.300 -5.938 0.60 54.12 ? 397 THR c C 1 +ATOM 35874 O O A THR U 3 379 ? -8.840 39.783 -5.493 0.40 55.17 ? 397 THR c O 1 +ATOM 35875 O O B THR U 3 379 ? -8.803 39.774 -5.473 0.60 55.13 ? 397 THR c O 1 +ATOM 35876 C CB A THR U 3 379 ? -10.034 40.866 -7.874 0.40 60.24 ? 397 THR c CB 1 +ATOM 35877 C CB B THR U 3 379 ? -10.061 40.924 -7.828 0.60 60.34 ? 397 THR c CB 1 +ATOM 35878 O OG1 A THR U 3 379 ? -11.174 41.584 -7.390 0.40 58.71 ? 397 THR c OG1 1 +ATOM 35879 O OG1 B THR U 3 379 ? -11.229 41.620 -7.370 0.60 58.81 ? 397 THR c OG1 1 +ATOM 35880 C CG2 A THR U 3 379 ? -9.976 40.983 -9.400 0.40 52.81 ? 397 THR c CG2 1 +ATOM 35881 C CG2 B THR U 3 379 ? -9.961 41.043 -9.346 0.60 52.79 ? 397 THR c CG2 1 +ATOM 35882 N N A HIS U 3 380 ? -10.746 38.626 -5.196 0.40 55.01 ? 398 HIS c N 1 +ATOM 35883 N N B HIS U 3 380 ? -10.726 38.645 -5.191 0.60 55.00 ? 398 HIS c N 1 +ATOM 35884 C CA A HIS U 3 380 ? -10.498 38.323 -3.789 0.40 57.09 ? 398 HIS c CA 1 +ATOM 35885 C CA B HIS U 3 380 ? -10.497 38.341 -3.782 0.60 57.06 ? 398 HIS c CA 1 +ATOM 35886 C C A HIS U 3 380 ? -10.702 36.839 -3.539 0.40 62.14 ? 398 HIS c C 1 +ATOM 35887 C C B HIS U 3 380 ? -10.705 36.854 -3.551 0.60 62.34 ? 398 HIS c C 1 +ATOM 35888 O O A HIS U 3 380 ? -11.276 36.428 -2.522 0.40 59.66 ? 398 HIS c O 1 +ATOM 35889 O O B HIS U 3 380 ? -11.381 36.420 -2.615 0.60 59.81 ? 398 HIS c O 1 +ATOM 35890 C CB A HIS U 3 380 ? -11.379 39.163 -2.861 0.40 53.80 ? 398 HIS c CB 1 +ATOM 35891 C CB B HIS U 3 380 ? -11.394 39.185 -2.879 0.60 53.71 ? 398 HIS c CB 1 +ATOM 35892 C CG A HIS U 3 380 ? -11.055 40.630 -2.881 0.40 61.15 ? 398 HIS c CG 1 +ATOM 35893 C CG B HIS U 3 380 ? -11.065 40.650 -2.906 0.60 61.23 ? 398 HIS c CG 1 +ATOM 35894 N ND1 A HIS U 3 380 ? -11.453 41.469 -3.903 0.40 59.10 ? 398 HIS c ND1 1 +ATOM 35895 N ND1 B HIS U 3 380 ? -11.437 41.483 -3.942 0.60 59.09 ? 398 HIS c ND1 1 +ATOM 35896 C CD2 A HIS U 3 380 ? -10.367 41.406 -2.006 0.40 59.98 ? 398 HIS c CD2 1 +ATOM 35897 C CD2 B HIS U 3 380 ? -10.394 41.426 -2.020 0.60 59.99 ? 398 HIS c CD2 1 +ATOM 35898 C CE1 A HIS U 3 380 ? -11.035 42.697 -3.651 0.40 62.54 ? 398 HIS c CE1 1 +ATOM 35899 C CE1 B HIS U 3 380 ? -11.013 42.709 -3.687 0.60 62.58 ? 398 HIS c CE1 1 +ATOM 35900 N NE2 A HIS U 3 380 ? -10.372 42.686 -2.507 0.40 62.28 ? 398 HIS c NE2 1 +ATOM 35901 N NE2 B HIS U 3 380 ? -10.384 42.703 -2.525 0.60 62.30 ? 398 HIS c NE2 1 +ATOM 35902 N N A ALA U 3 381 ? -10.237 36.018 -4.485 0.40 58.58 ? 399 ALA c N 1 +ATOM 35903 N N B ALA U 3 381 ? -10.115 36.055 -4.446 0.60 58.53 ? 399 ALA c N 1 +ATOM 35904 C CA A ALA U 3 381 ? -10.333 34.576 -4.354 0.40 53.65 ? 399 ALA c CA 1 +ATOM 35905 C CA B ALA U 3 381 ? -10.239 34.609 -4.354 0.60 53.62 ? 399 ALA c CA 1 +ATOM 35906 C C A ALA U 3 381 ? -9.496 34.095 -3.167 0.40 52.31 ? 399 ALA c C 1 +ATOM 35907 C C B ALA U 3 381 ? -9.438 34.094 -3.159 0.60 52.34 ? 399 ALA c C 1 +ATOM 35908 O O A ALA U 3 381 ? -8.428 34.640 -2.883 0.40 51.41 ? 399 ALA c O 1 +ATOM 35909 O O B ALA U 3 381 ? -8.373 34.638 -2.839 0.60 51.30 ? 399 ALA c O 1 +ATOM 35910 C CB A ALA U 3 381 ? -9.872 33.891 -5.640 0.40 52.13 ? 399 ALA c CB 1 +ATOM 35911 C CB B ALA U 3 381 ? -9.754 33.944 -5.647 0.60 52.12 ? 399 ALA c CB 1 +ATOM 35912 N N A PRO U 3 382 ? -9.954 33.076 -2.470 0.40 51.67 ? 400 PRO c N 1 +ATOM 35913 N N B PRO U 3 382 ? -9.913 33.067 -2.481 0.60 51.55 ? 400 PRO c N 1 +ATOM 35914 C CA A PRO U 3 382 ? -9.217 32.591 -1.297 0.40 55.47 ? 400 PRO c CA 1 +ATOM 35915 C CA B PRO U 3 382 ? -9.195 32.586 -1.297 0.60 55.53 ? 400 PRO c CA 1 +ATOM 35916 C C A PRO U 3 382 ? -7.942 31.845 -1.668 0.40 52.59 ? 400 PRO c C 1 +ATOM 35917 C C B PRO U 3 382 ? -7.898 31.861 -1.639 0.60 52.62 ? 400 PRO c C 1 +ATOM 35918 O O A PRO U 3 382 ? -7.826 30.642 -1.431 0.40 52.85 ? 400 PRO c O 1 +ATOM 35919 O O B PRO U 3 382 ? -7.762 30.669 -1.366 0.60 52.73 ? 400 PRO c O 1 +ATOM 35920 C CB A PRO U 3 382 ? -10.229 31.662 -0.615 0.40 55.85 ? 400 PRO c CB 1 +ATOM 35921 C CB B PRO U 3 382 ? -10.214 31.650 -0.631 0.60 55.92 ? 400 PRO c CB 1 +ATOM 35922 C CG A PRO U 3 382 ? -11.052 31.127 -1.786 0.40 58.20 ? 400 PRO c CG 1 +ATOM 35923 C CG B PRO U 3 382 ? -11.055 31.155 -1.777 0.60 58.36 ? 400 PRO c CG 1 +ATOM 35924 C CD A PRO U 3 382 ? -11.197 32.319 -2.702 0.40 56.70 ? 400 PRO c CD 1 +ATOM 35925 C CD B PRO U 3 382 ? -11.186 32.355 -2.681 0.60 56.76 ? 400 PRO c CD 1 +ATOM 35926 N N A LEU U 3 383 ? -6.982 32.564 -2.235 0.40 47.20 ? 401 LEU c N 1 +ATOM 35927 N N B LEU U 3 383 ? -6.931 32.583 -2.203 0.60 47.03 ? 401 LEU c N 1 +ATOM 35928 C CA A LEU U 3 383 ? -5.660 32.054 -2.558 0.40 49.28 ? 401 LEU c CA 1 +ATOM 35929 C CA B LEU U 3 383 ? -5.598 32.079 -2.497 0.60 49.03 ? 401 LEU c CA 1 +ATOM 35930 C C A LEU U 3 383 ? -4.651 33.083 -2.088 0.40 55.62 ? 401 LEU c C 1 +ATOM 35931 C C B LEU U 3 383 ? -4.578 33.104 -2.034 0.60 55.88 ? 401 LEU c C 1 +ATOM 35932 O O A LEU U 3 383 ? -4.833 34.276 -2.347 0.40 50.89 ? 401 LEU c O 1 +ATOM 35933 O O B LEU U 3 383 ? -4.752 34.303 -2.270 0.60 50.90 ? 401 LEU c O 1 +ATOM 35934 C CB A LEU U 3 383 ? -5.485 31.826 -4.067 0.40 47.89 ? 401 LEU c CB 1 +ATOM 35935 C CB B LEU U 3 383 ? -5.394 31.820 -4.008 0.60 47.68 ? 401 LEU c CB 1 +ATOM 35936 C CG A LEU U 3 383 ? -6.244 30.681 -4.746 0.40 59.10 ? 401 LEU c CG 1 +ATOM 35937 C CG B LEU U 3 383 ? -6.194 30.707 -4.690 0.60 59.23 ? 401 LEU c CG 1 +ATOM 35938 C CD1 A LEU U 3 383 ? -7.731 31.017 -4.919 0.40 56.20 ? 401 LEU c CD1 1 +ATOM 35939 C CD1 B LEU U 3 383 ? -7.621 31.147 -4.977 0.60 56.28 ? 401 LEU c CD1 1 +ATOM 35940 C CD2 A LEU U 3 383 ? -5.601 30.357 -6.096 0.40 61.05 ? 401 LEU c CD2 1 +ATOM 35941 C CD2 B LEU U 3 383 ? -5.503 30.234 -5.970 0.60 61.05 ? 401 LEU c CD2 1 +ATOM 35942 N N A GLY U 3 384 ? -3.594 32.629 -1.418 0.40 52.12 ? 402 GLY c N 1 +ATOM 35943 N N B GLY U 3 384 ? -3.509 32.634 -1.403 0.60 52.19 ? 402 GLY c N 1 +ATOM 35944 C CA A GLY U 3 384 ? -2.548 33.533 -0.962 0.40 52.05 ? 402 GLY c CA 1 +ATOM 35945 C CA B GLY U 3 384 ? -2.479 33.536 -0.918 0.60 52.04 ? 402 GLY c CA 1 +ATOM 35946 C C A GLY U 3 384 ? -1.497 32.756 -0.198 0.40 54.75 ? 402 GLY c C 1 +ATOM 35947 C C B GLY U 3 384 ? -1.430 32.768 -0.143 0.60 54.79 ? 402 GLY c C 1 +ATOM 35948 O O A GLY U 3 384 ? -1.707 31.609 0.200 0.40 51.58 ? 402 GLY c O 1 +ATOM 35949 O O B GLY U 3 384 ? -1.649 31.632 0.291 0.60 51.57 ? 402 GLY c O 1 +ATOM 35950 N N A SER U 3 385 ? -0.360 33.408 0.008 0.40 48.86 ? 403 SER c N 1 +ATOM 35951 N N B SER U 3 385 ? -0.287 33.415 0.025 0.60 48.77 ? 403 SER c N 1 +ATOM 35952 C CA A SER U 3 385 ? 0.792 32.785 0.637 0.40 52.38 ? 403 SER c CA 1 +ATOM 35953 C CA B SER U 3 385 ? 0.856 32.776 0.654 0.60 52.33 ? 403 SER c CA 1 +ATOM 35954 C C A SER U 3 385 ? 0.750 32.927 2.157 0.40 60.14 ? 403 SER c C 1 +ATOM 35955 C C B SER U 3 385 ? 0.807 32.916 2.172 0.60 60.33 ? 403 SER c C 1 +ATOM 35956 O O A SER U 3 385 ? -0.011 33.721 2.723 0.40 57.48 ? 403 SER c O 1 +ATOM 35957 O O B SER U 3 385 ? 0.026 33.690 2.736 0.60 57.66 ? 403 SER c O 1 +ATOM 35958 C CB A SER U 3 385 ? 2.076 33.410 0.116 0.40 54.67 ? 403 SER c CB 1 +ATOM 35959 C CB B SER U 3 385 ? 2.150 33.383 0.132 0.60 54.63 ? 403 SER c CB 1 +ATOM 35960 O OG A SER U 3 385 ? 2.186 34.729 0.614 0.40 56.96 ? 403 SER c OG 1 +ATOM 35961 O OG B SER U 3 385 ? 2.210 34.736 0.534 0.60 57.16 ? 403 SER c OG 1 +ATOM 35962 N N A LEU U 3 386 ? 1.631 32.166 2.816 0.40 56.63 ? 404 LEU c N 1 +ATOM 35963 N N B LEU U 3 386 ? 1.694 32.167 2.831 0.60 56.75 ? 404 LEU c N 1 +ATOM 35964 C CA A LEU U 3 386 ? 1.680 32.177 4.276 0.40 55.23 ? 404 LEU c CA 1 +ATOM 35965 C CA B LEU U 3 386 ? 1.737 32.161 4.290 0.60 55.22 ? 404 LEU c CA 1 +ATOM 35966 C C A LEU U 3 386 ? 2.040 33.556 4.813 0.40 57.34 ? 404 LEU c C 1 +ATOM 35967 C C B LEU U 3 386 ? 2.107 33.533 4.838 0.60 57.38 ? 404 LEU c C 1 +ATOM 35968 O O A LEU U 3 386 ? 1.545 33.950 5.875 0.40 54.91 ? 404 LEU c O 1 +ATOM 35969 O O B LEU U 3 386 ? 1.616 33.930 5.897 0.60 54.93 ? 404 LEU c O 1 +ATOM 35970 C CB A LEU U 3 386 ? 2.676 31.129 4.782 0.40 57.94 ? 404 LEU c CB 1 +ATOM 35971 C CB B LEU U 3 386 ? 2.724 31.096 4.778 0.60 57.86 ? 404 LEU c CB 1 +ATOM 35972 C CG A LEU U 3 386 ? 2.716 30.834 6.286 0.40 74.07 ? 404 LEU c CG 1 +ATOM 35973 C CG B LEU U 3 386 ? 2.781 30.777 6.277 0.60 74.29 ? 404 LEU c CG 1 +ATOM 35974 C CD1 A LEU U 3 386 ? 1.315 30.571 6.831 0.40 65.26 ? 404 LEU c CD1 1 +ATOM 35975 C CD1 B LEU U 3 386 ? 1.393 30.526 6.868 0.60 65.28 ? 404 LEU c CD1 1 +ATOM 35976 C CD2 A LEU U 3 386 ? 3.617 29.630 6.575 0.40 68.78 ? 404 LEU c CD2 1 +ATOM 35977 C CD2 B LEU U 3 386 ? 3.667 29.565 6.509 0.60 68.77 ? 404 LEU c CD2 1 +ATOM 35978 N N A ASN U 3 387 ? 2.920 34.301 4.108 0.40 53.24 ? 405 ASN c N 1 +ATOM 35979 N N B ASN U 3 387 ? 2.976 34.273 4.132 0.60 53.11 ? 405 ASN c N 1 +ATOM 35980 C CA A ASN U 3 387 ? 3.260 35.672 4.505 0.40 55.78 ? 405 ASN c CA 1 +ATOM 35981 C CA B ASN U 3 387 ? 3.305 35.649 4.503 0.60 55.77 ? 405 ASN c CA 1 +ATOM 35982 C C A ASN U 3 387 ? 2.259 36.713 3.962 0.40 54.66 ? 405 ASN c C 1 +ATOM 35983 C C B ASN U 3 387 ? 2.289 36.685 3.959 0.60 54.64 ? 405 ASN c C 1 +ATOM 35984 O O A ASN U 3 387 ? 2.587 37.899 3.890 0.40 57.17 ? 405 ASN c O 1 +ATOM 35985 O O B ASN U 3 387 ? 2.618 37.877 3.917 0.60 57.23 ? 405 ASN c O 1 +ATOM 35986 C CB A ASN U 3 387 ? 4.697 36.031 4.083 0.40 50.50 ? 405 ASN c CB 1 +ATOM 35987 C CB B ASN U 3 387 ? 4.732 36.006 4.055 0.60 50.41 ? 405 ASN c CB 1 +ATOM 35988 C CG A ASN U 3 387 ? 4.971 35.800 2.579 0.40 61.94 ? 405 ASN c CG 1 +ATOM 35989 C CG B ASN U 3 387 ? 4.968 35.813 2.545 0.60 62.25 ? 405 ASN c CG 1 +ATOM 35990 O OD1 A ASN U 3 387 ? 4.464 34.848 1.985 0.40 52.64 ? 405 ASN c OD1 1 +ATOM 35991 O OD1 B ASN U 3 387 ? 4.466 34.868 1.941 0.60 52.57 ? 405 ASN c OD1 1 +ATOM 35992 N ND2 A ASN U 3 387 ? 5.796 36.672 1.972 0.40 51.13 ? 405 ASN c ND2 1 +ATOM 35993 N ND2 B ASN U 3 387 ? 5.749 36.721 1.940 0.60 51.04 ? 405 ASN c ND2 1 +ATOM 35994 N N . SER U 3 388 ? 1.085 36.243 3.558 1.00 51.41 ? 406 SER c N 1 +ATOM 35995 C CA . SER U 3 388 ? -0.027 37.107 3.152 1.00 57.47 ? 406 SER c CA 1 +ATOM 35996 C C . SER U 3 388 ? 0.225 37.896 1.854 1.00 60.91 ? 406 SER c C 1 +ATOM 35997 O O . SER U 3 388 ? -0.156 39.060 1.733 1.00 60.68 ? 406 SER c O 1 +ATOM 35998 C CB . SER U 3 388 ? -0.432 38.036 4.289 1.00 56.41 ? 406 SER c CB 1 +ATOM 35999 O OG . SER U 3 388 ? -1.121 37.309 5.290 1.00 54.97 ? 406 SER c OG 1 +ATOM 36000 N N A VAL U 3 389 ? 0.844 37.259 0.869 0.40 54.99 ? 407 VAL c N 1 +ATOM 36001 N N B VAL U 3 389 ? 0.848 37.253 0.872 0.60 54.95 ? 407 VAL c N 1 +ATOM 36002 C CA A VAL U 3 389 ? 0.850 37.775 -0.494 0.40 52.52 ? 407 VAL c CA 1 +ATOM 36003 C CA B VAL U 3 389 ? 0.869 37.760 -0.496 0.60 52.40 ? 407 VAL c CA 1 +ATOM 36004 C C A VAL U 3 389 ? -0.356 37.172 -1.202 0.40 60.12 ? 407 VAL c C 1 +ATOM 36005 C C B VAL U 3 389 ? -0.321 37.136 -1.218 0.60 60.30 ? 407 VAL c C 1 +ATOM 36006 O O A VAL U 3 389 ? -0.443 35.947 -1.349 0.40 58.12 ? 407 VAL c O 1 +ATOM 36007 O O B VAL U 3 389 ? -0.366 35.917 -1.410 0.60 58.22 ? 407 VAL c O 1 +ATOM 36008 C CB A VAL U 3 389 ? 2.157 37.421 -1.213 0.40 55.20 ? 407 VAL c CB 1 +ATOM 36009 C CB B VAL U 3 389 ? 2.190 37.436 -1.201 0.60 55.27 ? 407 VAL c CB 1 +ATOM 36010 C CG1 A VAL U 3 389 ? 2.204 38.061 -2.570 0.40 54.57 ? 407 VAL c CG1 1 +ATOM 36011 C CG1 B VAL U 3 389 ? 2.228 38.081 -2.567 0.60 54.60 ? 407 VAL c CG1 1 +ATOM 36012 C CG2 A VAL U 3 389 ? 3.341 37.854 -0.367 0.40 57.27 ? 407 VAL c CG2 1 +ATOM 36013 C CG2 B VAL U 3 389 ? 3.365 37.897 -0.348 0.60 57.31 ? 407 VAL c CG2 1 +ATOM 36014 N N A GLY U 3 390 ? -1.305 38.021 -1.604 0.40 52.33 ? 408 GLY c N 1 +ATOM 36015 N N B GLY U 3 390 ? -1.296 37.964 -1.591 0.60 52.23 ? 408 GLY c N 1 +ATOM 36016 C CA A GLY U 3 390 ? -2.536 37.522 -2.197 0.40 59.30 ? 408 GLY c CA 1 +ATOM 36017 C CA B GLY U 3 390 ? -2.514 37.446 -2.188 0.60 59.41 ? 408 GLY c CA 1 +ATOM 36018 C C A GLY U 3 390 ? -2.339 37.033 -3.624 0.40 60.27 ? 408 GLY c C 1 +ATOM 36019 C C B GLY U 3 390 ? -2.313 36.975 -3.619 0.60 60.31 ? 408 GLY c C 1 +ATOM 36020 O O A GLY U 3 390 ? -1.505 37.543 -4.376 0.40 60.68 ? 408 GLY c O 1 +ATOM 36021 O O B GLY U 3 390 ? -1.462 37.476 -4.358 0.60 60.87 ? 408 GLY c O 1 +ATOM 36022 N N A GLY U 3 391 ? -3.125 36.027 -4.010 0.40 50.59 ? 409 GLY c N 1 +ATOM 36023 N N B GLY U 3 391 ? -3.119 35.999 -4.018 0.60 50.42 ? 409 GLY c N 1 +ATOM 36024 C CA A GLY U 3 391 ? -3.127 35.526 -5.376 0.40 56.64 ? 409 GLY c CA 1 +ATOM 36025 C CA B GLY U 3 391 ? -3.107 35.480 -5.374 0.60 56.65 ? 409 GLY c CA 1 +ATOM 36026 C C A GLY U 3 391 ? -2.488 34.149 -5.497 0.40 58.50 ? 409 GLY c C 1 +ATOM 36027 C C B GLY U 3 391 ? -2.546 34.068 -5.462 0.60 58.60 ? 409 GLY c C 1 +ATOM 36028 O O A GLY U 3 391 ? -2.115 33.511 -4.511 0.40 57.89 ? 409 GLY c O 1 +ATOM 36029 O O B GLY U 3 391 ? -2.303 33.394 -4.457 0.60 58.70 ? 409 GLY c O 1 +ATOM 36030 N N A VAL U 3 392 ? -2.358 33.695 -6.749 0.40 56.17 ? 410 VAL c N 1 +ATOM 36031 N N B VAL U 3 392 ? -2.339 33.626 -6.705 0.60 56.13 ? 410 VAL c N 1 +ATOM 36032 C CA A VAL U 3 392 ? -1.757 32.394 -7.057 0.40 57.97 ? 410 VAL c CA 1 +ATOM 36033 C CA B VAL U 3 392 ? -1.768 32.316 -7.011 0.60 57.96 ? 410 VAL c CA 1 +ATOM 36034 C C A VAL U 3 392 ? -0.309 32.374 -6.574 0.40 54.43 ? 410 VAL c C 1 +ATOM 36035 C C B VAL U 3 392 ? -0.309 32.280 -6.556 0.60 54.38 ? 410 VAL c C 1 +ATOM 36036 O O A VAL U 3 392 ? 0.275 33.417 -6.272 0.40 54.51 ? 410 VAL c O 1 +ATOM 36037 O O B VAL U 3 392 ? 0.291 33.329 -6.299 0.60 54.50 ? 410 VAL c O 1 +ATOM 36038 C CB A VAL U 3 392 ? -1.852 32.053 -8.565 0.40 58.24 ? 410 VAL c CB 1 +ATOM 36039 C CB B VAL U 3 392 ? -1.891 31.981 -8.519 0.60 58.30 ? 410 VAL c CB 1 +ATOM 36040 C CG1 A VAL U 3 392 ? -3.303 31.888 -8.993 0.40 53.31 ? 410 VAL c CG1 1 +ATOM 36041 C CG1 B VAL U 3 392 ? -3.353 31.993 -8.977 0.60 53.19 ? 410 VAL c CG1 1 +ATOM 36042 C CG2 A VAL U 3 392 ? -1.152 33.119 -9.404 0.40 50.85 ? 410 VAL c CG2 1 +ATOM 36043 C CG2 B VAL U 3 392 ? -1.054 32.929 -9.359 0.60 50.40 ? 410 VAL c CG2 1 +ATOM 36044 N N A ALA U 3 393 ? 0.277 31.183 -6.499 0.40 54.54 ? 411 ALA c N 1 +ATOM 36045 N N B ALA U 3 393 ? 0.281 31.088 -6.478 0.60 54.61 ? 411 ALA c N 1 +ATOM 36046 C CA A ALA U 3 393 ? 1.599 31.030 -5.902 0.40 58.59 ? 411 ALA c CA 1 +ATOM 36047 C CA B ALA U 3 393 ? 1.612 30.952 -5.889 0.60 58.78 ? 411 ALA c CA 1 +ATOM 36048 C C A ALA U 3 393 ? 2.689 31.718 -6.710 0.40 52.36 ? 411 ALA c C 1 +ATOM 36049 C C B ALA U 3 393 ? 2.698 31.628 -6.717 0.60 52.29 ? 411 ALA c C 1 +ATOM 36050 O O A ALA U 3 393 ? 3.757 32.025 -6.163 0.40 53.35 ? 411 ALA c O 1 +ATOM 36051 O O B ALA U 3 393 ? 3.793 31.874 -6.199 0.60 53.59 ? 411 ALA c O 1 +ATOM 36052 C CB A ALA U 3 393 ? 1.934 29.538 -5.728 0.40 53.78 ? 411 ALA c CB 1 +ATOM 36053 C CB B ALA U 3 393 ? 1.951 29.473 -5.697 0.60 53.73 ? 411 ALA c CB 1 +ATOM 36054 N N A THR U 3 394 ? 2.445 31.976 -7.983 0.40 51.66 ? 412 THR c N 1 +ATOM 36055 N N B THR U 3 394 ? 2.426 31.924 -7.985 0.60 51.53 ? 412 THR c N 1 +ATOM 36056 C CA A THR U 3 394 ? 3.430 32.608 -8.852 0.40 55.43 ? 412 THR c CA 1 +ATOM 36057 C CA B THR U 3 394 ? 3.391 32.551 -8.880 0.60 55.50 ? 412 THR c CA 1 +ATOM 36058 C C A THR U 3 394 ? 3.265 34.121 -8.941 0.40 57.03 ? 412 THR c C 1 +ATOM 36059 C C B THR U 3 394 ? 3.257 34.071 -8.940 0.60 57.19 ? 412 THR c C 1 +ATOM 36060 O O A THR U 3 394 ? 4.030 34.778 -9.666 0.40 52.38 ? 412 THR c O 1 +ATOM 36061 O O B THR U 3 394 ? 4.023 34.726 -9.662 0.60 52.46 ? 412 THR c O 1 +ATOM 36062 C CB A THR U 3 394 ? 3.334 32.008 -10.244 0.40 53.26 ? 412 THR c CB 1 +ATOM 36063 C CB B THR U 3 394 ? 3.230 31.976 -10.281 0.60 53.29 ? 412 THR c CB 1 +ATOM 36064 O OG1 A THR U 3 394 ? 1.989 32.164 -10.699 0.40 50.38 ? 412 THR c OG1 1 +ATOM 36065 O OG1 B THR U 3 394 ? 1.851 32.069 -10.643 0.60 50.28 ? 412 THR c OG1 1 +ATOM 36066 C CG2 A THR U 3 394 ? 3.664 30.505 -10.193 0.40 55.95 ? 412 THR c CG2 1 +ATOM 36067 C CG2 B THR U 3 394 ? 3.657 30.489 -10.306 0.60 56.04 ? 412 THR c CG2 1 +ATOM 36068 N N A GLU U 3 395 ? 2.293 34.680 -8.224 0.40 49.97 ? 413 GLU c N 1 +ATOM 36069 N N B GLU U 3 395 ? 2.309 34.642 -8.204 0.60 49.89 ? 413 GLU c N 1 +ATOM 36070 C CA A GLU U 3 395 ? 2.050 36.113 -8.253 0.40 53.14 ? 413 GLU c CA 1 +ATOM 36071 C CA B GLU U 3 395 ? 2.074 36.077 -8.243 0.60 53.14 ? 413 GLU c CA 1 +ATOM 36072 C C A GLU U 3 395 ? 3.192 36.872 -7.571 0.40 56.49 ? 413 GLU c C 1 +ATOM 36073 C C B GLU U 3 395 ? 3.214 36.841 -7.562 0.60 56.62 ? 413 GLU c C 1 +ATOM 36074 O O A GLU U 3 395 ? 3.893 36.340 -6.703 0.40 53.34 ? 413 GLU c O 1 +ATOM 36075 O O B GLU U 3 395 ? 3.909 36.321 -6.684 0.60 53.40 ? 413 GLU c O 1 +ATOM 36076 C CB A GLU U 3 395 ? 0.706 36.420 -7.589 0.40 50.25 ? 413 GLU c CB 1 +ATOM 36077 C CB B GLU U 3 395 ? 0.733 36.389 -7.586 0.60 50.01 ? 413 GLU c CB 1 +ATOM 36078 C CG A GLU U 3 395 ? 0.244 37.874 -7.732 0.40 65.02 ? 413 GLU c CG 1 +ATOM 36079 C CG B GLU U 3 395 ? 0.272 37.836 -7.711 0.60 65.24 ? 413 GLU c CG 1 +ATOM 36080 C CD A GLU U 3 395 ? 0.072 38.302 -9.175 0.40 59.89 ? 413 GLU c CD 1 +ATOM 36081 C CD B GLU U 3 395 ? 0.058 38.259 -9.140 0.60 59.89 ? 413 GLU c CD 1 +ATOM 36082 O OE1 A GLU U 3 395 ? 1.076 38.685 -9.802 0.40 61.12 ? 413 GLU c OE1 1 +ATOM 36083 O OE1 B GLU U 3 395 ? 1.040 38.679 -9.786 0.60 61.26 ? 413 GLU c OE1 1 +ATOM 36084 O OE2 A GLU U 3 395 ? -1.065 38.246 -9.680 0.40 62.08 ? 413 GLU c OE2 1 +ATOM 36085 O OE2 B GLU U 3 395 ? -1.090 38.163 -9.616 0.60 62.17 ? 413 GLU c OE2 1 +ATOM 36086 N N A ILE U 3 396 ? 3.410 38.113 -8.009 0.40 52.66 ? 414 ILE c N 1 +ATOM 36087 N N B ILE U 3 396 ? 3.427 38.085 -8.002 0.60 52.57 ? 414 ILE c N 1 +ATOM 36088 C CA A ILE U 3 396 ? 4.442 38.954 -7.405 0.40 59.48 ? 414 ILE c CA 1 +ATOM 36089 C CA B ILE U 3 396 ? 4.455 38.925 -7.391 0.60 59.56 ? 414 ILE c CA 1 +ATOM 36090 C C A ILE U 3 396 ? 3.890 39.645 -6.161 0.40 60.04 ? 414 ILE c C 1 +ATOM 36091 C C B ILE U 3 396 ? 3.898 39.617 -6.151 0.60 60.22 ? 414 ILE c C 1 +ATOM 36092 O O A ILE U 3 396 ? 2.675 39.760 -5.959 0.40 52.93 ? 414 ILE c O 1 +ATOM 36093 O O B ILE U 3 396 ? 2.682 39.715 -5.939 0.60 52.92 ? 414 ILE c O 1 +ATOM 36094 C CB A ILE U 3 396 ? 4.985 39.990 -8.408 0.40 58.66 ? 414 ILE c CB 1 +ATOM 36095 C CB B ILE U 3 396 ? 5.007 39.963 -8.385 0.60 58.75 ? 414 ILE c CB 1 +ATOM 36096 C CG1 A ILE U 3 396 ? 3.848 40.890 -8.916 0.40 51.13 ? 414 ILE c CG1 1 +ATOM 36097 C CG1 B ILE U 3 396 ? 3.883 40.902 -8.831 0.60 50.94 ? 414 ILE c CG1 1 +ATOM 36098 C CG2 A ILE U 3 396 ? 5.705 39.305 -9.560 0.40 54.15 ? 414 ILE c CG2 1 +ATOM 36099 C CG2 B ILE U 3 396 ? 5.698 39.272 -9.557 0.60 54.12 ? 414 ILE c CG2 1 +ATOM 36100 C CD1 A ILE U 3 396 ? 4.330 42.132 -9.623 0.40 55.84 ? 414 ILE c CD1 1 +ATOM 36101 C CD1 B ILE U 3 396 ? 4.353 42.053 -9.669 0.60 55.81 ? 414 ILE c CD1 1 +ATOM 36102 N N . ASN U 3 397 ? 4.816 40.116 -5.324 1.00 54.50 ? 415 ASN c N 1 +ATOM 36103 C CA . ASN U 3 397 ? 4.438 40.917 -4.168 1.00 56.42 ? 415 ASN c CA 1 +ATOM 36104 C C . ASN U 3 397 ? 3.742 42.185 -4.638 1.00 58.91 ? 415 ASN c C 1 +ATOM 36105 O O . ASN U 3 397 ? 4.111 42.754 -5.673 1.00 53.27 ? 415 ASN c O 1 +ATOM 36106 C CB . ASN U 3 397 ? 5.676 41.271 -3.338 1.00 52.70 ? 415 ASN c CB 1 +ATOM 36107 C CG . ASN U 3 397 ? 5.971 40.240 -2.256 1.00 64.47 ? 415 ASN c CG 1 +ATOM 36108 O OD1 . ASN U 3 397 ? 5.354 40.267 -1.191 1.00 56.74 ? 415 ASN c OD1 1 +ATOM 36109 N ND2 . ASN U 3 397 ? 6.908 39.314 -2.533 1.00 55.45 ? 415 ASN c ND2 1 +ATOM 36110 N N . SER U 3 398 ? 2.708 42.596 -3.887 1.00 52.80 ? 416 SER c N 1 +ATOM 36111 C CA . SER U 3 398 ? 1.957 43.836 -4.096 1.00 61.21 ? 416 SER c CA 1 +ATOM 36112 C C . SER U 3 398 ? 0.708 43.850 -3.240 1.00 59.67 ? 416 SER c C 1 +ATOM 36113 O O . SER U 3 398 ? 0.424 44.851 -2.586 1.00 62.43 ? 416 SER c O 1 +ATOM 36114 C CB . SER U 3 398 ? 1.514 44.033 -5.556 1.00 56.96 ? 416 SER c CB 1 +ATOM 36115 O OG . SER U 3 398 ? 2.473 44.775 -6.277 1.00 62.15 ? 416 SER c OG 1 +ATOM 36116 N N . VAL U 3 399 ? -0.060 42.765 -3.270 1.00 54.50 ? 417 VAL c N 1 +ATOM 36117 C CA . VAL U 3 399 ? -1.351 42.700 -2.594 1.00 55.54 ? 417 VAL c CA 1 +ATOM 36118 C C . VAL U 3 399 ? -1.199 41.882 -1.315 1.00 67.86 ? 417 VAL c C 1 +ATOM 36119 O O . VAL U 3 399 ? -0.815 40.704 -1.348 1.00 65.45 ? 417 VAL c O 1 +ATOM 36120 C CB . VAL U 3 399 ? -2.434 42.099 -3.502 1.00 59.51 ? 417 VAL c CB 1 +ATOM 36121 C CG1 . VAL U 3 399 ? -3.746 41.974 -2.746 1.00 57.23 ? 417 VAL c CG1 1 +ATOM 36122 C CG2 . VAL U 3 399 ? -2.594 42.931 -4.768 1.00 53.21 ? 417 VAL c CG2 1 +ATOM 36123 N N . ASN U 3 400 ? -1.546 42.498 -0.194 1.00 59.68 ? 418 ASN c N 1 +ATOM 36124 C CA . ASN U 3 400 ? -1.414 41.918 1.140 1.00 53.93 ? 418 ASN c CA 1 +ATOM 36125 C C . ASN U 3 400 ? -2.792 41.371 1.492 1.00 57.59 ? 418 ASN c C 1 +ATOM 36126 O O . ASN U 3 400 ? -3.651 42.097 1.990 1.00 59.95 ? 418 ASN c O 1 +ATOM 36127 C CB . ASN U 3 400 ? -0.921 43.000 2.099 1.00 53.33 ? 418 ASN c CB 1 +ATOM 36128 C CG . ASN U 3 400 ? -0.681 42.509 3.521 1.00 64.28 ? 418 ASN c CG 1 +ATOM 36129 O OD1 . ASN U 3 400 ? -0.823 43.296 4.453 1.00 66.80 ? 418 ASN c OD1 1 +ATOM 36130 N ND2 . ASN U 3 400 ? -0.290 41.239 3.703 1.00 53.91 ? 418 ASN c ND2 1 +ATOM 36131 N N A PHE U 3 401 ? -2.994 40.076 1.254 0.40 57.26 ? 419 PHE c N 1 +ATOM 36132 N N B PHE U 3 401 ? -3.011 40.080 1.206 0.60 57.28 ? 419 PHE c N 1 +ATOM 36133 C CA A PHE U 3 401 ? -4.324 39.481 1.389 0.40 59.10 ? 419 PHE c CA 1 +ATOM 36134 C CA B PHE U 3 401 ? -4.339 39.483 1.350 0.60 59.18 ? 419 PHE c CA 1 +ATOM 36135 C C A PHE U 3 401 ? -4.244 37.962 1.538 0.40 64.25 ? 419 PHE c C 1 +ATOM 36136 C C B PHE U 3 401 ? -4.244 37.968 1.516 0.60 64.51 ? 419 PHE c C 1 +ATOM 36137 O O A PHE U 3 401 ? -3.634 37.283 0.706 0.40 61.04 ? 419 PHE c O 1 +ATOM 36138 O O B PHE U 3 401 ? -3.605 37.287 0.709 0.60 61.28 ? 419 PHE c O 1 +ATOM 36139 C CB A PHE U 3 401 ? -5.197 39.835 0.169 0.40 52.82 ? 419 PHE c CB 1 +ATOM 36140 C CB B PHE U 3 401 ? -5.221 39.819 0.135 0.60 52.68 ? 419 PHE c CB 1 +ATOM 36141 C CG A PHE U 3 401 ? -6.536 39.131 0.144 0.40 54.31 ? 419 PHE c CG 1 +ATOM 36142 C CG B PHE U 3 401 ? -6.548 39.101 0.122 0.60 54.25 ? 419 PHE c CG 1 +ATOM 36143 C CD1 A PHE U 3 401 ? -7.574 39.548 0.965 0.40 51.88 ? 419 PHE c CD1 1 +ATOM 36144 C CD1 B PHE U 3 401 ? -7.578 39.506 0.944 0.60 51.74 ? 419 PHE c CD1 1 +ATOM 36145 C CD2 A PHE U 3 401 ? -6.752 38.050 -0.695 0.40 54.79 ? 419 PHE c CD2 1 +ATOM 36146 C CD2 B PHE U 3 401 ? -6.763 38.018 -0.721 0.60 54.81 ? 419 PHE c CD2 1 +ATOM 36147 C CE1 A PHE U 3 401 ? -8.798 38.909 0.937 0.40 56.75 ? 419 PHE c CE1 1 +ATOM 36148 C CE1 B PHE U 3 401 ? -8.799 38.850 0.931 0.60 56.70 ? 419 PHE c CE1 1 +ATOM 36149 C CE2 A PHE U 3 401 ? -7.987 37.396 -0.737 0.40 55.03 ? 419 PHE c CE2 1 +ATOM 36150 C CE2 B PHE U 3 401 ? -7.983 37.358 -0.745 0.60 54.99 ? 419 PHE c CE2 1 +ATOM 36151 C CZ A PHE U 3 401 ? -9.009 37.825 0.080 0.40 55.98 ? 419 PHE c CZ 1 +ATOM 36152 C CZ B PHE U 3 401 ? -9.002 37.776 0.084 0.60 55.98 ? 419 PHE c CZ 1 +ATOM 36153 N N A VAL U 3 402 ? -4.874 37.437 2.589 0.40 58.44 ? 420 VAL c N 1 +ATOM 36154 N N B VAL U 3 402 ? -4.882 37.453 2.563 0.60 58.53 ? 420 VAL c N 1 +ATOM 36155 C CA A VAL U 3 402 ? -5.300 36.045 2.650 0.40 52.24 ? 420 VAL c CA 1 +ATOM 36156 C CA B VAL U 3 402 ? -5.273 36.052 2.655 0.60 52.07 ? 420 VAL c CA 1 +ATOM 36157 C C A VAL U 3 402 ? -6.734 36.049 3.153 0.40 55.44 ? 420 VAL c C 1 +ATOM 36158 C C B VAL U 3 402 ? -6.703 36.033 3.172 0.60 55.47 ? 420 VAL c C 1 +ATOM 36159 O O A VAL U 3 402 ? -7.040 36.702 4.157 0.40 60.17 ? 420 VAL c O 1 +ATOM 36160 O O B VAL U 3 402 ? -7.011 36.676 4.181 0.60 60.33 ? 420 VAL c O 1 +ATOM 36161 C CB A VAL U 3 402 ? -4.411 35.172 3.565 0.40 60.68 ? 420 VAL c CB 1 +ATOM 36162 C CB B VAL U 3 402 ? -4.350 35.214 3.567 0.60 60.87 ? 420 VAL c CB 1 +ATOM 36163 C CG1 A VAL U 3 402 ? -5.133 33.850 3.924 0.40 50.10 ? 420 VAL c CG1 1 +ATOM 36164 C CG1 B VAL U 3 402 ? -5.013 33.868 3.919 0.60 50.03 ? 420 VAL c CG1 1 +ATOM 36165 C CG2 A VAL U 3 402 ? -3.068 34.889 2.911 0.40 53.24 ? 420 VAL c CG2 1 +ATOM 36166 C CG2 B VAL U 3 402 ? -3.007 34.963 2.893 0.60 53.30 ? 420 VAL c CG2 1 +ATOM 36167 N N A SER U 3 403 ? -7.604 35.326 2.466 0.40 55.15 ? 421 SER c N 1 +ATOM 36168 N N B SER U 3 403 ? -7.574 35.321 2.476 0.60 55.21 ? 421 SER c N 1 +ATOM 36169 C CA A SER U 3 403 ? -9.012 35.354 2.807 0.40 55.37 ? 421 SER c CA 1 +ATOM 36170 C CA B SER U 3 403 ? -8.983 35.323 2.820 0.60 55.34 ? 421 SER c CA 1 +ATOM 36171 C C A SER U 3 403 ? -9.234 34.844 4.227 0.40 61.64 ? 421 SER c C 1 +ATOM 36172 C C B SER U 3 403 ? -9.198 34.829 4.247 0.60 61.74 ? 421 SER c C 1 +ATOM 36173 O O A SER U 3 403 ? -8.593 33.868 4.644 0.40 58.03 ? 421 SER c O 1 +ATOM 36174 O O B SER U 3 403 ? -8.559 33.857 4.673 0.60 58.16 ? 421 SER c O 1 +ATOM 36175 C CB A SER U 3 403 ? -9.812 34.496 1.846 0.40 53.89 ? 421 SER c CB 1 +ATOM 36176 C CB B SER U 3 403 ? -9.774 34.438 1.872 0.60 53.79 ? 421 SER c CB 1 +ATOM 36177 O OG A SER U 3 403 ? -11.129 34.342 2.326 0.40 55.92 ? 421 SER c OG 1 +ATOM 36178 O OG B SER U 3 403 ? -11.103 34.309 2.336 0.60 55.96 ? 421 SER c OG 1 +ATOM 36179 N N A PRO U 3 404 ? -10.154 35.459 4.979 0.40 59.86 ? 422 PRO c N 1 +ATOM 36180 N N B PRO U 3 404 ? -10.110 35.456 4.995 0.60 59.90 ? 422 PRO c N 1 +ATOM 36181 C CA A PRO U 3 404 ? -10.560 34.887 6.274 0.40 62.04 ? 422 PRO c CA 1 +ATOM 36182 C CA B PRO U 3 404 ? -10.551 34.889 6.282 0.60 62.20 ? 422 PRO c CA 1 +ATOM 36183 C C A PRO U 3 404 ? -10.972 33.435 6.178 0.40 58.06 ? 422 PRO c C 1 +ATOM 36184 C C B PRO U 3 404 ? -10.941 33.430 6.192 0.60 58.08 ? 422 PRO c C 1 +ATOM 36185 O O A PRO U 3 404 ? -10.718 32.674 7.119 0.40 54.62 ? 422 PRO c O 1 +ATOM 36186 O O B PRO U 3 404 ? -10.719 32.676 7.150 0.60 54.68 ? 422 PRO c O 1 +ATOM 36187 C CB A PRO U 3 404 ? -11.746 35.772 6.698 0.40 53.13 ? 422 PRO c CB 1 +ATOM 36188 C CB B PRO U 3 404 ? -11.764 35.762 6.646 0.60 52.97 ? 422 PRO c CB 1 +ATOM 36189 C CG A PRO U 3 404 ? -11.531 37.057 5.988 0.40 62.31 ? 422 PRO c CG 1 +ATOM 36190 C CG B PRO U 3 404 ? -11.498 37.059 5.973 0.60 62.41 ? 422 PRO c CG 1 +ATOM 36191 C CD A PRO U 3 404 ? -10.897 36.690 4.651 0.40 59.70 ? 422 PRO c CD 1 +ATOM 36192 C CD B PRO U 3 404 ? -10.824 36.702 4.660 0.60 59.74 ? 422 PRO c CD 1 +ATOM 36193 N N A ARG U 3 405 ? -11.592 33.026 5.061 0.40 58.27 ? 423 ARG c N 1 +ATOM 36194 N N B ARG U 3 405 ? -11.513 33.009 5.059 0.60 58.29 ? 423 ARG c N 1 +ATOM 36195 C CA A ARG U 3 405 ? -12.011 31.634 4.908 0.40 58.38 ? 423 ARG c CA 1 +ATOM 36196 C CA B ARG U 3 405 ? -11.961 31.628 4.922 0.60 58.42 ? 423 ARG c CA 1 +ATOM 36197 C C A ARG U 3 405 ? -10.821 30.682 4.917 0.40 54.56 ? 423 ARG c C 1 +ATOM 36198 C C B ARG U 3 405 ? -10.786 30.656 4.932 0.60 54.52 ? 423 ARG c C 1 +ATOM 36199 O O A ARG U 3 405 ? -10.924 29.573 5.442 0.40 56.45 ? 423 ARG c O 1 +ATOM 36200 O O B ARG U 3 405 ? -10.902 29.550 5.468 0.60 56.63 ? 423 ARG c O 1 +ATOM 36201 C CB A ARG U 3 405 ? -12.828 31.454 3.619 0.40 64.14 ? 423 ARG c CB 1 +ATOM 36202 C CB B ARG U 3 405 ? -12.786 31.464 3.641 0.60 64.31 ? 423 ARG c CB 1 +ATOM 36203 C CG A ARG U 3 405 ? -14.108 32.300 3.557 0.40 64.79 ? 423 ARG c CG 1 +ATOM 36204 C CG B ARG U 3 405 ? -14.105 32.234 3.653 0.60 65.13 ? 423 ARG c CG 1 +ATOM 36205 C CD A ARG U 3 405 ? -15.047 31.851 2.454 0.40 54.13 ? 423 ARG c CD 1 +ATOM 36206 C CD B ARG U 3 405 ? -15.042 31.778 2.551 0.60 54.10 ? 423 ARG c CD 1 +ATOM 36207 N NE A ARG U 3 405 ? -16.223 32.704 2.329 0.40 58.10 ? 423 ARG c NE 1 +ATOM 36208 N NE B ARG U 3 405 ? -16.203 32.648 2.407 0.60 58.14 ? 423 ARG c NE 1 +ATOM 36209 C CZ A ARG U 3 405 ? -17.430 32.406 2.797 0.40 58.38 ? 423 ARG c CZ 1 +ATOM 36210 C CZ B ARG U 3 405 ? -17.425 32.365 2.840 0.60 58.46 ? 423 ARG c CZ 1 +ATOM 36211 N NH1 A ARG U 3 405 ? -17.652 31.300 3.493 0.40 56.12 ? 423 ARG c NH1 1 +ATOM 36212 N NH1 B ARG U 3 405 ? -17.689 31.245 3.491 0.60 56.10 ? 423 ARG c NH1 1 +ATOM 36213 N NH2 A ARG U 3 405 ? -18.443 33.235 2.549 0.40 56.44 ? 423 ARG c NH2 1 +ATOM 36214 N NH2 B ARG U 3 405 ? -18.412 33.223 2.599 0.60 56.43 ? 423 ARG c NH2 1 +ATOM 36215 N N A SER U 3 406 ? -9.684 31.086 4.337 0.40 56.29 ? 424 SER c N 1 +ATOM 36216 N N B SER U 3 406 ? -9.649 31.042 4.342 0.60 56.32 ? 424 SER c N 1 +ATOM 36217 C CA A SER U 3 406 ? -8.505 30.218 4.378 0.40 60.55 ? 424 SER c CA 1 +ATOM 36218 C CA B SER U 3 406 ? -8.468 30.178 4.382 0.60 60.69 ? 424 SER c CA 1 +ATOM 36219 C C A SER U 3 406 ? -7.929 30.152 5.786 0.40 54.12 ? 424 SER c C 1 +ATOM 36220 C C B SER U 3 406 ? -7.888 30.103 5.790 0.60 54.08 ? 424 SER c C 1 +ATOM 36221 O O A SER U 3 406 ? -7.596 29.068 6.276 0.40 55.69 ? 424 SER c O 1 +ATOM 36222 O O B SER U 3 406 ? -7.558 29.016 6.276 0.60 55.79 ? 424 SER c O 1 +ATOM 36223 C CB A SER U 3 406 ? -7.436 30.698 3.391 0.40 49.90 ? 424 SER c CB 1 +ATOM 36224 C CB B SER U 3 406 ? -7.405 30.679 3.404 0.60 49.73 ? 424 SER c CB 1 +ATOM 36225 O OG A SER U 3 406 ? -7.861 30.539 2.059 0.40 56.92 ? 424 SER c OG 1 +ATOM 36226 O OG B SER U 3 406 ? -7.847 30.550 2.076 0.60 57.03 ? 424 SER c OG 1 +ATOM 36227 N N A TRP U 3 407 ? -7.783 31.308 6.446 0.40 56.01 ? 425 TRP c N 1 +ATOM 36228 N N B TRP U 3 407 ? -7.727 31.261 6.440 0.60 56.02 ? 425 TRP c N 1 +ATOM 36229 C CA A TRP U 3 407 ? -7.294 31.312 7.825 0.40 55.43 ? 425 TRP c CA 1 +ATOM 36230 C CA B TRP U 3 407 ? -7.258 31.295 7.823 0.60 55.42 ? 425 TRP c CA 1 +ATOM 36231 C C A TRP U 3 407 ? -8.165 30.434 8.714 0.40 55.42 ? 425 TRP c C 1 +ATOM 36232 C C B TRP U 3 407 ? -8.128 30.422 8.719 0.60 55.45 ? 425 TRP c C 1 +ATOM 36233 O O A TRP U 3 407 ? -7.647 29.649 9.517 0.40 56.10 ? 425 TRP c O 1 +ATOM 36234 O O B TRP U 3 407 ? -7.616 29.649 9.538 0.60 56.15 ? 425 TRP c O 1 +ATOM 36235 C CB A TRP U 3 407 ? -7.241 32.743 8.379 0.40 52.78 ? 425 TRP c CB 1 +ATOM 36236 C CB B TRP U 3 407 ? -7.247 32.736 8.342 0.60 52.72 ? 425 TRP c CB 1 +ATOM 36237 C CG A TRP U 3 407 ? -6.133 33.633 7.842 0.40 51.88 ? 425 TRP c CG 1 +ATOM 36238 C CG B TRP U 3 407 ? -6.132 33.625 7.829 0.60 51.88 ? 425 TRP c CG 1 +ATOM 36239 C CD1 A TRP U 3 407 ? -6.290 34.843 7.250 0.40 49.54 ? 425 TRP c CD1 1 +ATOM 36240 C CD1 B TRP U 3 407 ? -6.272 34.849 7.248 0.60 49.44 ? 425 TRP c CD1 1 +ATOM 36241 C CD2 A TRP U 3 407 ? -4.712 33.385 7.876 0.40 49.64 ? 425 TRP c CD2 1 +ATOM 36242 C CD2 B TRP U 3 407 ? -4.720 33.363 7.874 0.60 49.59 ? 425 TRP c CD2 1 +ATOM 36243 N NE1 A TRP U 3 407 ? -5.064 35.377 6.918 0.40 57.18 ? 425 TRP c NE1 1 +ATOM 36244 N NE1 B TRP U 3 407 ? -5.036 35.372 6.936 0.60 57.34 ? 425 TRP c NE1 1 +ATOM 36245 C CE2 A TRP U 3 407 ? -4.081 34.497 7.278 0.40 48.12 ? 425 TRP c CE2 1 +ATOM 36246 C CE2 B TRP U 3 407 ? -4.070 34.472 7.302 0.60 47.95 ? 425 TRP c CE2 1 +ATOM 36247 C CE3 A TRP U 3 407 ? -3.918 32.332 8.346 0.40 54.51 ? 425 TRP c CE3 1 +ATOM 36248 C CE3 B TRP U 3 407 ? -3.945 32.297 8.336 0.60 54.55 ? 425 TRP c CE3 1 +ATOM 36249 C CZ2 A TRP U 3 407 ? -2.695 34.586 7.126 0.40 53.56 ? 425 TRP c CZ2 1 +ATOM 36250 C CZ2 B TRP U 3 407 ? -2.686 34.539 7.170 0.60 53.68 ? 425 TRP c CZ2 1 +ATOM 36251 C CZ3 A TRP U 3 407 ? -2.538 32.420 8.203 0.40 52.65 ? 425 TRP c CZ3 1 +ATOM 36252 C CZ3 B TRP U 3 407 ? -2.568 32.370 8.211 0.60 52.66 ? 425 TRP c CZ3 1 +ATOM 36253 C CH2 A TRP U 3 407 ? -1.940 33.537 7.588 0.40 49.40 ? 425 TRP c CH2 1 +ATOM 36254 C CH2 B TRP U 3 407 ? -1.955 33.473 7.628 0.60 49.22 ? 425 TRP c CH2 1 +ATOM 36255 N N A LEU U 3 408 ? -9.491 30.520 8.554 0.40 55.77 ? 426 LEU c N 1 +ATOM 36256 N N B LEU U 3 408 ? -9.451 30.512 8.550 0.60 55.88 ? 426 LEU c N 1 +ATOM 36257 C CA A LEU U 3 408 ? -10.404 29.777 9.425 0.40 53.05 ? 426 LEU c CA 1 +ATOM 36258 C CA B LEU U 3 408 ? -10.379 29.795 9.419 0.60 52.98 ? 426 LEU c CA 1 +ATOM 36259 C C A LEU U 3 408 ? -10.445 28.292 9.086 0.40 57.70 ? 426 LEU c C 1 +ATOM 36260 C C B LEU U 3 408 ? -10.424 28.305 9.103 0.60 57.80 ? 426 LEU c C 1 +ATOM 36261 O O A LEU U 3 408 ? -10.511 27.454 9.994 0.40 58.91 ? 426 LEU c O 1 +ATOM 36262 O O B LEU U 3 408 ? -10.530 27.480 10.018 0.60 59.11 ? 426 LEU c O 1 +ATOM 36263 C CB A LEU U 3 408 ? -11.808 30.384 9.357 0.40 50.08 ? 426 LEU c CB 1 +ATOM 36264 C CB B LEU U 3 408 ? -11.773 30.416 9.310 0.60 49.92 ? 426 LEU c CB 1 +ATOM 36265 C CG A LEU U 3 408 ? -11.912 31.744 10.069 0.40 65.74 ? 426 LEU c CG 1 +ATOM 36266 C CG B LEU U 3 408 ? -11.924 31.686 10.153 0.60 66.14 ? 426 LEU c CG 1 +ATOM 36267 C CD1 A LEU U 3 408 ? -13.206 32.474 9.728 0.40 56.34 ? 426 LEU c CD1 1 +ATOM 36268 C CD1 B LEU U 3 408 ? -13.248 32.398 9.868 0.60 56.56 ? 426 LEU c CD1 1 +ATOM 36269 C CD2 A LEU U 3 408 ? -11.775 31.580 11.597 0.40 53.76 ? 426 LEU c CD2 1 +ATOM 36270 C CD2 B LEU U 3 408 ? -11.771 31.355 11.651 0.60 51.99 ? 426 LEU c CD2 1 +ATOM 36271 N N A ALA U 3 409 ? -10.413 27.936 7.794 0.40 54.40 ? 427 ALA c N 1 +ATOM 36272 N N B ALA U 3 409 ? -10.349 27.934 7.819 0.60 54.46 ? 427 ALA c N 1 +ATOM 36273 C CA A ALA U 3 409 ? -10.471 26.521 7.425 0.40 50.58 ? 427 ALA c CA 1 +ATOM 36274 C CA B ALA U 3 409 ? -10.422 26.519 7.465 0.60 50.50 ? 427 ALA c CA 1 +ATOM 36275 C C A ALA U 3 409 ? -9.182 25.801 7.810 0.40 47.20 ? 427 ALA c C 1 +ATOM 36276 C C B ALA U 3 409 ? -9.134 25.782 7.814 0.60 47.04 ? 427 ALA c C 1 +ATOM 36277 O O A ALA U 3 409 ? -9.222 24.676 8.324 0.40 51.06 ? 427 ALA c O 1 +ATOM 36278 O O B ALA U 3 409 ? -9.178 24.638 8.282 0.60 51.08 ? 427 ALA c O 1 +ATOM 36279 C CB A ALA U 3 409 ? -10.740 26.360 5.918 0.40 48.56 ? 427 ALA c CB 1 +ATOM 36280 C CB B ALA U 3 409 ? -10.735 26.352 5.973 0.60 48.57 ? 427 ALA c CB 1 +ATOM 36281 N N A THR U 3 410 ? -8.028 26.427 7.555 0.40 48.91 ? 428 THR c N 1 +ATOM 36282 N N B THR U 3 410 ? -7.982 26.414 7.591 0.60 48.79 ? 428 THR c N 1 +ATOM 36283 C CA A THR U 3 410 ? -6.756 25.762 7.819 0.40 54.52 ? 428 THR c CA 1 +ATOM 36284 C CA B THR U 3 410 ? -6.719 25.732 7.843 0.60 54.56 ? 428 THR c CA 1 +ATOM 36285 C C A THR U 3 410 ? -6.540 25.563 9.318 0.40 55.46 ? 428 THR c C 1 +ATOM 36286 C C B THR U 3 410 ? -6.487 25.559 9.338 0.60 55.52 ? 428 THR c C 1 +ATOM 36287 O O A THR U 3 410 ? -6.255 24.445 9.766 0.40 54.11 ? 428 THR c O 1 +ATOM 36288 O O B THR U 3 410 ? -6.146 24.463 9.799 0.60 54.31 ? 428 THR c O 1 +ATOM 36289 C CB A THR U 3 410 ? -5.595 26.546 7.196 0.40 53.43 ? 428 THR c CB 1 +ATOM 36290 C CB B THR U 3 410 ? -5.561 26.499 7.201 0.60 53.34 ? 428 THR c CB 1 +ATOM 36291 O OG1 A THR U 3 410 ? -5.609 27.903 7.663 0.40 56.77 ? 428 THR c OG1 1 +ATOM 36292 O OG1 B THR U 3 410 ? -5.537 27.849 7.691 0.60 56.93 ? 428 THR c OG1 1 +ATOM 36293 C CG2 A THR U 3 410 ? -5.695 26.543 5.650 0.40 49.45 ? 428 THR c CG2 1 +ATOM 36294 C CG2 B THR U 3 410 ? -5.712 26.513 5.667 0.60 49.37 ? 428 THR c CG2 1 +ATOM 36295 N N . SER U 3 411 ? -6.677 26.636 10.113 1.00 54.62 ? 429 SER c N 1 +ATOM 36296 C CA . SER U 3 411 ? -6.503 26.538 11.559 1.00 50.58 ? 429 SER c CA 1 +ATOM 36297 C C . SER U 3 411 ? -7.381 25.442 12.141 1.00 49.10 ? 429 SER c C 1 +ATOM 36298 O O . SER U 3 411 ? -6.927 24.627 12.955 1.00 54.17 ? 429 SER c O 1 +ATOM 36299 C CB . SER U 3 411 ? -6.822 27.883 12.216 1.00 59.40 ? 429 SER c CB 1 +ATOM 36300 O OG . SER U 3 411 ? -8.185 28.239 12.015 1.00 58.02 ? 429 SER c OG 1 +ATOM 36301 N N . HIS U 3 412 ? -8.624 25.364 11.694 1.00 52.52 ? 430 HIS c N 1 +ATOM 36302 C CA . HIS U 3 412 ? -9.523 24.406 12.309 1.00 47.01 ? 430 HIS c CA 1 +ATOM 36303 C C . HIS U 3 412 ? -9.355 22.998 11.764 1.00 62.38 ? 430 HIS c C 1 +ATOM 36304 O O . HIS U 3 412 ? -9.732 22.039 12.457 1.00 52.95 ? 430 HIS c O 1 +ATOM 36305 C CB . HIS U 3 412 ? -10.955 24.919 12.200 1.00 53.77 ? 430 HIS c CB 1 +ATOM 36306 C CG . HIS U 3 412 ? -11.243 26.001 13.200 1.00 66.09 ? 430 HIS c CG 1 +ATOM 36307 N ND1 . HIS U 3 412 ? -10.941 27.327 12.973 1.00 61.86 ? 430 HIS c ND1 1 +ATOM 36308 C CD2 . HIS U 3 412 ? -11.724 25.936 14.467 1.00 55.29 ? 430 HIS c CD2 1 +ATOM 36309 C CE1 . HIS U 3 412 ? -11.263 28.038 14.041 1.00 64.59 ? 430 HIS c CE1 1 +ATOM 36310 N NE2 . HIS U 3 412 ? -11.735 27.218 14.964 1.00 61.60 ? 430 HIS c NE2 1 +ATOM 36311 N N A PHE U 3 413 ? -8.781 22.836 10.563 0.40 54.40 ? 431 PHE c N 1 +ATOM 36312 N N B PHE U 3 413 ? -8.780 22.827 10.569 0.60 54.44 ? 431 PHE c N 1 +ATOM 36313 C CA A PHE U 3 413 ? -8.398 21.483 10.164 0.40 53.71 ? 431 PHE c CA 1 +ATOM 36314 C CA B PHE U 3 413 ? -8.403 21.473 10.183 0.60 53.75 ? 431 PHE c CA 1 +ATOM 36315 C C A PHE U 3 413 ? -7.214 20.997 10.992 0.40 50.05 ? 431 PHE c C 1 +ATOM 36316 C C B PHE U 3 413 ? -7.214 20.996 11.006 0.60 49.98 ? 431 PHE c C 1 +ATOM 36317 O O A PHE U 3 413 ? -7.195 19.850 11.440 0.40 52.78 ? 431 PHE c O 1 +ATOM 36318 O O B PHE U 3 413 ? -7.165 19.836 11.420 0.60 52.87 ? 431 PHE c O 1 +ATOM 36319 C CB A PHE U 3 413 ? -8.060 21.380 8.665 0.40 48.91 ? 431 PHE c CB 1 +ATOM 36320 C CB B PHE U 3 413 ? -8.075 21.373 8.689 0.60 48.83 ? 431 PHE c CB 1 +ATOM 36321 C CG A PHE U 3 413 ? -7.859 19.958 8.224 0.40 51.81 ? 431 PHE c CG 1 +ATOM 36322 C CG B PHE U 3 413 ? -7.876 19.953 8.239 0.60 51.89 ? 431 PHE c CG 1 +ATOM 36323 C CD1 A PHE U 3 413 ? -6.642 19.315 8.426 0.40 47.20 ? 431 PHE c CD1 1 +ATOM 36324 C CD1 B PHE U 3 413 ? -6.644 19.330 8.376 0.60 47.13 ? 431 PHE c CD1 1 +ATOM 36325 C CD2 A PHE U 3 413 ? -8.916 19.228 7.696 0.40 51.43 ? 431 PHE c CD2 1 +ATOM 36326 C CD2 B PHE U 3 413 ? -8.942 19.218 7.741 0.60 51.58 ? 431 PHE c CD2 1 +ATOM 36327 C CE1 A PHE U 3 413 ? -6.488 17.989 8.092 0.40 50.62 ? 431 PHE c CE1 1 +ATOM 36328 C CE1 B PHE U 3 413 ? -6.480 18.005 8.012 0.60 50.67 ? 431 PHE c CE1 1 +ATOM 36329 C CE2 A PHE U 3 413 ? -8.756 17.907 7.353 0.40 51.29 ? 431 PHE c CE2 1 +ATOM 36330 C CE2 B PHE U 3 413 ? -8.782 17.897 7.375 0.60 51.27 ? 431 PHE c CE2 1 +ATOM 36331 C CZ A PHE U 3 413 ? -7.543 17.290 7.552 0.40 51.15 ? 431 PHE c CZ 1 +ATOM 36332 C CZ B PHE U 3 413 ? -7.549 17.293 7.500 0.60 51.25 ? 431 PHE c CZ 1 +ATOM 36333 N N . VAL U 3 414 ? -6.229 21.869 11.215 1.00 49.34 ? 432 VAL c N 1 +ATOM 36334 C CA . VAL U 3 414 ? -5.069 21.505 12.016 1.00 50.33 ? 432 VAL c CA 1 +ATOM 36335 C C . VAL U 3 414 ? -5.499 21.119 13.428 1.00 53.29 ? 432 VAL c C 1 +ATOM 36336 O O . VAL U 3 414 ? -5.077 20.092 13.967 1.00 56.39 ? 432 VAL c O 1 +ATOM 36337 C CB . VAL U 3 414 ? -4.062 22.672 12.034 1.00 59.58 ? 432 VAL c CB 1 +ATOM 36338 C CG1 . VAL U 3 414 ? -2.990 22.447 13.082 1.00 52.52 ? 432 VAL c CG1 1 +ATOM 36339 C CG2 . VAL U 3 414 ? -3.450 22.870 10.642 1.00 57.53 ? 432 VAL c CG2 1 +ATOM 36340 N N . LEU U 3 415 ? -6.345 21.939 14.053 1.00 59.41 ? 433 LEU c N 1 +ATOM 36341 C CA . LEU U 3 415 ? -6.758 21.620 15.418 1.00 59.95 ? 433 LEU c CA 1 +ATOM 36342 C C . LEU U 3 415 ? -7.629 20.374 15.445 1.00 58.27 ? 433 LEU c C 1 +ATOM 36343 O O . LEU U 3 415 ? -7.488 19.529 16.339 1.00 55.79 ? 433 LEU c O 1 +ATOM 36344 C CB . LEU U 3 415 ? -7.493 22.805 16.041 1.00 58.99 ? 433 LEU c CB 1 +ATOM 36345 C CG . LEU U 3 415 ? -6.645 24.057 16.245 1.00 61.49 ? 433 LEU c CG 1 +ATOM 36346 C CD1 . LEU U 3 415 ? -7.540 25.265 16.422 1.00 56.49 ? 433 LEU c CD1 1 +ATOM 36347 C CD2 . LEU U 3 415 ? -5.712 23.873 17.443 1.00 57.15 ? 433 LEU c CD2 1 +ATOM 36348 N N . ALA U 3 416 ? -8.531 20.235 14.466 1.00 57.66 ? 434 ALA c N 1 +ATOM 36349 C CA . ALA U 3 416 ? -9.402 19.068 14.476 1.00 59.10 ? 434 ALA c CA 1 +ATOM 36350 C C . ALA U 3 416 ? -8.599 17.793 14.281 1.00 55.25 ? 434 ALA c C 1 +ATOM 36351 O O . ALA U 3 416 ? -8.954 16.743 14.830 1.00 50.47 ? 434 ALA c O 1 +ATOM 36352 C CB . ALA U 3 416 ? -10.486 19.193 13.409 1.00 54.90 ? 434 ALA c CB 1 +ATOM 36353 N N . PHE U 3 417 ? -7.509 17.872 13.520 1.00 55.62 ? 435 PHE c N 1 +ATOM 36354 C CA . PHE U 3 417 ? -6.683 16.694 13.321 1.00 59.39 ? 435 PHE c CA 1 +ATOM 36355 C C . PHE U 3 417 ? -5.991 16.285 14.618 1.00 53.05 ? 435 PHE c C 1 +ATOM 36356 O O . PHE U 3 417 ? -6.048 15.114 15.024 1.00 54.50 ? 435 PHE c O 1 +ATOM 36357 C CB . PHE U 3 417 ? -5.645 16.929 12.225 1.00 49.03 ? 435 PHE c CB 1 +ATOM 36358 C CG . PHE U 3 417 ? -4.641 15.821 12.163 1.00 59.55 ? 435 PHE c CG 1 +ATOM 36359 C CD1 . PHE U 3 417 ? -5.028 14.569 11.747 1.00 53.64 ? 435 PHE c CD1 1 +ATOM 36360 C CD2 . PHE U 3 417 ? -3.344 16.002 12.623 1.00 56.29 ? 435 PHE c CD2 1 +ATOM 36361 C CE1 . PHE U 3 417 ? -4.136 13.505 11.749 1.00 60.66 ? 435 PHE c CE1 1 +ATOM 36362 C CE2 . PHE U 3 417 ? -2.437 14.947 12.602 1.00 59.81 ? 435 PHE c CE2 1 +ATOM 36363 C CZ . PHE U 3 417 ? -2.838 13.699 12.171 1.00 59.64 ? 435 PHE c CZ 1 +ATOM 36364 N N . PHE U 3 418 ? -5.311 17.237 15.272 1.00 52.39 ? 436 PHE c N 1 +ATOM 36365 C CA . PHE U 3 418 ? -4.591 16.908 16.505 1.00 57.44 ? 436 PHE c CA 1 +ATOM 36366 C C . PHE U 3 418 ? -5.536 16.469 17.617 1.00 63.43 ? 436 PHE c C 1 +ATOM 36367 O O . PHE U 3 418 ? -5.158 15.648 18.461 1.00 60.52 ? 436 PHE c O 1 +ATOM 36368 C CB . PHE U 3 418 ? -3.751 18.088 16.976 1.00 54.68 ? 436 PHE c CB 1 +ATOM 36369 C CG . PHE U 3 418 ? -2.423 18.189 16.290 1.00 56.46 ? 436 PHE c CG 1 +ATOM 36370 C CD1 . PHE U 3 418 ? -1.535 17.135 16.341 1.00 59.66 ? 436 PHE c CD1 1 +ATOM 36371 C CD2 . PHE U 3 418 ? -2.048 19.349 15.623 1.00 55.20 ? 436 PHE c CD2 1 +ATOM 36372 C CE1 . PHE U 3 418 ? -0.299 17.217 15.706 1.00 70.11 ? 436 PHE c CE1 1 +ATOM 36373 C CE2 . PHE U 3 418 ? -0.813 19.444 15.014 1.00 53.31 ? 436 PHE c CE2 1 +ATOM 36374 C CZ . PHE U 3 418 ? 0.061 18.375 15.051 1.00 56.70 ? 436 PHE c CZ 1 +ATOM 36375 N N . PHE U 3 419 ? -6.766 16.980 17.624 1.00 50.82 ? 437 PHE c N 1 +ATOM 36376 C CA . PHE U 3 419 ? -7.743 16.513 18.594 1.00 54.90 ? 437 PHE c CA 1 +ATOM 36377 C C . PHE U 3 419 ? -8.224 15.091 18.304 1.00 57.98 ? 437 PHE c C 1 +ATOM 36378 O O . PHE U 3 419 ? -8.586 14.369 19.243 1.00 59.65 ? 437 PHE c O 1 +ATOM 36379 C CB . PHE U 3 419 ? -8.892 17.511 18.674 1.00 56.34 ? 437 PHE c CB 1 +ATOM 36380 C CG . PHE U 3 419 ? -8.647 18.589 19.703 1.00 54.73 ? 437 PHE c CG 1 +ATOM 36381 C CD1 . PHE U 3 419 ? -7.653 19.548 19.502 1.00 55.41 ? 437 PHE c CD1 1 +ATOM 36382 C CD2 . PHE U 3 419 ? -9.361 18.604 20.896 1.00 60.00 ? 437 PHE c CD2 1 +ATOM 36383 C CE1 . PHE U 3 419 ? -7.390 20.519 20.450 1.00 66.17 ? 437 PHE c CE1 1 +ATOM 36384 C CE2 . PHE U 3 419 ? -9.116 19.581 21.856 1.00 60.44 ? 437 PHE c CE2 1 +ATOM 36385 C CZ . PHE U 3 419 ? -8.126 20.540 21.637 1.00 62.55 ? 437 PHE c CZ 1 +ATOM 36386 N N . LEU U 3 420 ? -8.217 14.646 17.039 1.00 56.24 ? 438 LEU c N 1 +ATOM 36387 C CA . LEU U 3 420 ? -8.450 13.220 16.793 1.00 54.69 ? 438 LEU c CA 1 +ATOM 36388 C C . LEU U 3 420 ? -7.273 12.380 17.287 1.00 52.18 ? 438 LEU c C 1 +ATOM 36389 O O . LEU U 3 420 ? -7.468 11.279 17.810 1.00 56.00 ? 438 LEU c O 1 +ATOM 36390 C CB . LEU U 3 420 ? -8.711 12.946 15.306 1.00 55.82 ? 438 LEU c CB 1 +ATOM 36391 C CG . LEU U 3 420 ? -8.972 11.464 14.961 1.00 62.20 ? 438 LEU c CG 1 +ATOM 36392 C CD1 . LEU U 3 420 ? -10.332 10.999 15.493 1.00 59.11 ? 438 LEU c CD1 1 +ATOM 36393 C CD2 . LEU U 3 420 ? -8.857 11.158 13.472 1.00 62.88 ? 438 LEU c CD2 1 +ATOM 36394 N N . VAL U 3 421 ? -6.044 12.869 17.108 1.00 48.87 ? 439 VAL c N 1 +ATOM 36395 C CA . VAL U 3 421 ? -4.884 12.177 17.662 1.00 52.38 ? 439 VAL c CA 1 +ATOM 36396 C C . VAL U 3 421 ? -5.012 12.085 19.173 1.00 57.23 ? 439 VAL c C 1 +ATOM 36397 O O . VAL U 3 421 ? -4.780 11.028 19.772 1.00 60.58 ? 439 VAL c O 1 +ATOM 36398 C CB . VAL U 3 421 ? -3.578 12.895 17.269 1.00 56.59 ? 439 VAL c CB 1 +ATOM 36399 C CG1 . VAL U 3 421 ? -2.432 12.352 18.121 1.00 56.30 ? 439 VAL c CG1 1 +ATOM 36400 C CG2 . VAL U 3 421 ? -3.278 12.711 15.783 1.00 55.14 ? 439 VAL c CG2 1 +ATOM 36401 N N . GLY U 3 422 ? -5.371 13.209 19.809 1.00 56.13 ? 440 GLY c N 1 +ATOM 36402 C CA . GLY U 3 422 ? -5.583 13.214 21.240 1.00 49.97 ? 440 GLY c CA 1 +ATOM 36403 C C . GLY U 3 422 ? -6.632 12.210 21.664 1.00 60.90 ? 440 GLY c C 1 +ATOM 36404 O O . GLY U 3 422 ? -6.440 11.486 22.646 1.00 58.09 ? 440 GLY c O 1 +ATOM 36405 N N . HIS U 3 423 ? -7.739 12.121 20.907 1.00 56.17 ? 441 HIS c N 1 +ATOM 36406 C CA . HIS U 3 423 ? -8.759 11.120 21.218 1.00 48.18 ? 441 HIS c CA 1 +ATOM 36407 C C . HIS U 3 423 ? -8.170 9.718 21.181 1.00 61.86 ? 441 HIS c C 1 +ATOM 36408 O O . HIS U 3 423 ? -8.448 8.893 22.058 1.00 56.99 ? 441 HIS c O 1 +ATOM 36409 C CB . HIS U 3 423 ? -9.941 11.210 20.244 1.00 50.05 ? 441 HIS c CB 1 +ATOM 36410 C CG . HIS U 3 423 ? -10.807 9.985 20.239 1.00 54.08 ? 441 HIS c CG 1 +ATOM 36411 N ND1 . HIS U 3 423 ? -11.689 9.692 21.258 1.00 56.20 ? 441 HIS c ND1 1 +ATOM 36412 C CD2 . HIS U 3 423 ? -10.894 8.951 19.363 1.00 57.25 ? 441 HIS c CD2 1 +ATOM 36413 C CE1 . HIS U 3 423 ? -12.300 8.545 20.998 1.00 63.47 ? 441 HIS c CE1 1 +ATOM 36414 N NE2 . HIS U 3 423 ? -11.838 8.073 19.852 1.00 54.97 ? 441 HIS c NE2 1 +ATOM 36415 N N . LEU U 3 424 ? -7.366 9.420 20.157 1.00 57.15 ? 442 LEU c N 1 +ATOM 36416 C CA . LEU U 3 424 ? -6.784 8.086 20.071 1.00 57.98 ? 442 LEU c CA 1 +ATOM 36417 C C . LEU U 3 424 ? -5.846 7.823 21.239 1.00 49.60 ? 442 LEU c C 1 +ATOM 36418 O O . LEU U 3 424 ? -5.875 6.746 21.827 1.00 54.16 ? 442 LEU c O 1 +ATOM 36419 C CB . LEU U 3 424 ? -6.050 7.913 18.742 1.00 60.19 ? 442 LEU c CB 1 +ATOM 36420 C CG . LEU U 3 424 ? -6.941 7.835 17.509 1.00 60.00 ? 442 LEU c CG 1 +ATOM 36421 C CD1 . LEU U 3 424 ? -6.074 7.752 16.280 1.00 59.19 ? 442 LEU c CD1 1 +ATOM 36422 C CD2 . LEU U 3 424 ? -7.863 6.624 17.628 1.00 56.36 ? 442 LEU c CD2 1 +ATOM 36423 N N A TRP U 3 425 ? -4.991 8.800 21.570 0.40 51.54 ? 443 TRP c N 1 +ATOM 36424 N N B TRP U 3 425 ? -5.003 8.797 21.576 0.60 51.53 ? 443 TRP c N 1 +ATOM 36425 C CA A TRP U 3 425 ? -4.061 8.669 22.686 0.40 52.16 ? 443 TRP c CA 1 +ATOM 36426 C CA B TRP U 3 425 ? -4.073 8.640 22.688 0.60 52.03 ? 443 TRP c CA 1 +ATOM 36427 C C A TRP U 3 425 ? -4.793 8.362 23.987 0.40 59.00 ? 443 TRP c C 1 +ATOM 36428 C C B TRP U 3 425 ? -4.816 8.340 23.984 0.60 59.12 ? 443 TRP c C 1 +ATOM 36429 O O A TRP U 3 425 ? -4.557 7.324 24.623 0.40 53.66 ? 443 TRP c O 1 +ATOM 36430 O O B TRP U 3 425 ? -4.608 7.296 24.613 0.60 53.65 ? 443 TRP c O 1 +ATOM 36431 C CB A TRP U 3 425 ? -3.253 9.959 22.825 0.40 53.19 ? 443 TRP c CB 1 +ATOM 36432 C CB B TRP U 3 425 ? -3.239 9.910 22.829 0.60 53.14 ? 443 TRP c CB 1 +ATOM 36433 C CG A TRP U 3 425 ? -2.241 9.878 23.893 0.40 58.72 ? 443 TRP c CG 1 +ATOM 36434 C CG B TRP U 3 425 ? -2.239 9.847 23.913 0.60 58.77 ? 443 TRP c CG 1 +ATOM 36435 C CD1 A TRP U 3 425 ? -2.409 10.197 25.219 0.40 57.84 ? 443 TRP c CD1 1 +ATOM 36436 C CD1 B TRP U 3 425 ? -2.424 10.185 25.223 0.60 57.84 ? 443 TRP c CD1 1 +ATOM 36437 C CD2 A TRP U 3 425 ? -0.884 9.453 23.749 0.40 58.21 ? 443 TRP c CD2 1 +ATOM 36438 C CD2 B TRP U 3 425 ? -0.879 9.424 23.792 0.60 58.23 ? 443 TRP c CD2 1 +ATOM 36439 N NE1 A TRP U 3 425 ? -1.233 9.994 25.900 0.40 60.23 ? 443 TRP c NE1 1 +ATOM 36440 N NE1 B TRP U 3 425 ? -1.256 10.003 25.921 0.60 60.31 ? 443 TRP c NE1 1 +ATOM 36441 C CE2 A TRP U 3 425 ? -0.283 9.532 25.024 0.40 60.14 ? 443 TRP c CE2 1 +ATOM 36442 C CE2 B TRP U 3 425 ? -0.295 9.528 25.066 0.60 60.19 ? 443 TRP c CE2 1 +ATOM 36443 C CE3 A TRP U 3 425 ? -0.112 9.023 22.664 0.40 57.85 ? 443 TRP c CE3 1 +ATOM 36444 C CE3 B TRP U 3 425 ? -0.097 8.972 22.728 0.60 57.90 ? 443 TRP c CE3 1 +ATOM 36445 C CZ2 A TRP U 3 425 ? 1.053 9.193 25.241 0.40 63.55 ? 443 TRP c CZ2 1 +ATOM 36446 C CZ2 B TRP U 3 425 ? 1.037 9.198 25.303 0.60 63.77 ? 443 TRP c CZ2 1 +ATOM 36447 C CZ3 A TRP U 3 425 ? 1.213 8.684 22.883 0.40 61.22 ? 443 TRP c CZ3 1 +ATOM 36448 C CZ3 B TRP U 3 425 ? 1.223 8.641 22.968 0.60 61.33 ? 443 TRP c CZ3 1 +ATOM 36449 C CH2 A TRP U 3 425 ? 1.781 8.762 24.164 0.40 58.92 ? 443 TRP c CH2 1 +ATOM 36450 C CH2 B TRP U 3 425 ? 1.775 8.750 24.244 0.60 58.96 ? 443 TRP c CH2 1 +ATOM 36451 N N . HIS U 3 426 ? -5.711 9.248 24.385 1.00 52.82 ? 444 HIS c N 1 +ATOM 36452 C CA . HIS U 3 426 ? -6.371 9.114 25.673 1.00 57.64 ? 444 HIS c CA 1 +ATOM 36453 C C . HIS U 3 426 ? -7.347 7.941 25.687 1.00 73.13 ? 444 HIS c C 1 +ATOM 36454 O O . HIS U 3 426 ? -7.487 7.274 26.724 1.00 62.25 ? 444 HIS c O 1 +ATOM 36455 C CB . HIS U 3 426 ? -7.053 10.446 26.051 1.00 52.07 ? 444 HIS c CB 1 +ATOM 36456 C CG . HIS U 3 426 ? -6.088 11.536 26.432 1.00 56.03 ? 444 HIS c CG 1 +ATOM 36457 N ND1 . HIS U 3 426 ? -5.305 11.476 27.566 1.00 56.43 ? 444 HIS c ND1 1 +ATOM 36458 C CD2 . HIS U 3 426 ? -5.790 12.720 25.837 1.00 59.74 ? 444 HIS c CD2 1 +ATOM 36459 C CE1 . HIS U 3 426 ? -4.562 12.573 27.649 1.00 61.48 ? 444 HIS c CE1 1 +ATOM 36460 N NE2 . HIS U 3 426 ? -4.838 13.346 26.612 1.00 52.24 ? 444 HIS c NE2 1 +ATOM 36461 N N . ALA U 3 427 ? -7.995 7.641 24.555 1.00 56.84 ? 445 ALA c N 1 +ATOM 36462 C CA . ALA U 3 427 ? -8.908 6.504 24.538 1.00 57.02 ? 445 ALA c CA 1 +ATOM 36463 C C . ALA U 3 427 ? -8.144 5.194 24.655 1.00 63.69 ? 445 ALA c C 1 +ATOM 36464 O O . ALA U 3 427 ? -8.582 4.276 25.361 1.00 56.11 ? 445 ALA c O 1 +ATOM 36465 C CB . ALA U 3 427 ? -9.773 6.508 23.275 1.00 52.74 ? 445 ALA c CB 1 +ATOM 36466 N N . GLY U 3 428 ? -7.005 5.084 23.966 1.00 52.54 ? 446 GLY c N 1 +ATOM 36467 C CA . GLY U 3 428 ? -6.180 3.903 24.141 1.00 52.27 ? 446 GLY c CA 1 +ATOM 36468 C C . GLY U 3 428 ? -5.670 3.785 25.566 1.00 51.29 ? 446 GLY c C 1 +ATOM 36469 O O . GLY U 3 428 ? -5.640 2.696 26.140 1.00 51.75 ? 446 GLY c O 1 +ATOM 36470 N N . ARG U 3 429 ? -5.281 4.913 26.153 1.00 49.25 ? 447 ARG c N 1 +ATOM 36471 C CA . ARG U 3 429 ? -4.722 4.909 27.493 1.00 57.31 ? 447 ARG c CA 1 +ATOM 36472 C C . ARG U 3 429 ? -5.788 4.604 28.546 1.00 62.08 ? 447 ARG c C 1 +ATOM 36473 O O . ARG U 3 429 ? -5.522 3.863 29.496 1.00 59.92 ? 447 ARG c O 1 +ATOM 36474 C CB . ARG U 3 429 ? -4.046 6.244 27.793 1.00 52.88 ? 447 ARG c CB 1 +ATOM 36475 C CG . ARG U 3 429 ? -3.231 6.174 29.078 1.00 59.44 ? 447 ARG c CG 1 +ATOM 36476 C CD . ARG U 3 429 ? -2.504 7.459 29.392 1.00 59.03 ? 447 ARG c CD 1 +ATOM 36477 N NE . ARG U 3 429 ? -1.534 7.215 30.449 1.00 60.77 ? 447 ARG c NE 1 +ATOM 36478 C CZ . ARG U 3 429 ? -1.863 7.037 31.722 1.00 73.55 ? 447 ARG c CZ 1 +ATOM 36479 N NH1 . ARG U 3 429 ? -3.124 7.122 32.131 1.00 55.42 ? 447 ARG c NH1 1 +ATOM 36480 N NH2 . ARG U 3 429 ? -0.905 6.761 32.605 1.00 52.49 ? 447 ARG c NH2 1 +ATOM 36481 N N . ALA U 3 430 ? -6.995 5.153 28.391 1.00 56.44 ? 448 ALA c N 1 +ATOM 36482 C CA . ALA U 3 430 ? -8.061 4.874 29.343 1.00 62.14 ? 448 ALA c CA 1 +ATOM 36483 C C . ALA U 3 430 ? -8.414 3.393 29.357 1.00 69.06 ? 448 ALA c C 1 +ATOM 36484 O O . ALA U 3 430 ? -8.676 2.817 30.423 1.00 65.27 ? 448 ALA c O 1 +ATOM 36485 C CB . ALA U 3 430 ? -9.297 5.719 29.024 1.00 58.86 ? 448 ALA c CB 1 +ATOM 36486 N N . ARG U 3 431 ? -8.410 2.756 28.186 1.00 61.67 ? 449 ARG c N 1 +ATOM 36487 C CA . ARG U 3 431 ? -8.697 1.327 28.111 1.00 60.69 ? 449 ARG c CA 1 +ATOM 36488 C C . ARG U 3 431 ? -7.617 0.511 28.801 1.00 64.67 ? 449 ARG c C 1 +ATOM 36489 O O . ARG U 3 431 ? -7.922 -0.414 29.561 1.00 61.53 ? 449 ARG c O 1 +ATOM 36490 C CB . ARG U 3 431 ? -8.837 0.883 26.653 1.00 57.62 ? 449 ARG c CB 1 +ATOM 36491 C CG . ARG U 3 431 ? -10.228 1.060 26.115 1.00 60.71 ? 449 ARG c CG 1 +ATOM 36492 C CD . ARG U 3 431 ? -10.974 -0.247 26.093 1.00 60.70 ? 449 ARG c CD 1 +ATOM 36493 N NE . ARG U 3 431 ? -12.300 -0.087 25.512 1.00 57.78 ? 449 ARG c NE 1 +ATOM 36494 C CZ . ARG U 3 431 ? -12.963 -1.049 24.888 1.00 56.05 ? 449 ARG c CZ 1 +ATOM 36495 N NH1 . ARG U 3 431 ? -12.441 -2.254 24.723 1.00 60.03 ? 449 ARG c NH1 1 +ATOM 36496 N NH2 . ARG U 3 431 ? -14.178 -0.793 24.416 1.00 65.89 ? 449 ARG c NH2 1 +ATOM 36497 N N . ALA U 3 432 ? -6.349 0.818 28.521 1.00 52.12 ? 450 ALA c N 1 +ATOM 36498 C CA . ALA U 3 432 ? -5.263 0.046 29.109 1.00 62.98 ? 450 ALA c CA 1 +ATOM 36499 C C . ALA U 3 432 ? -5.197 0.244 30.622 1.00 65.48 ? 450 ALA c C 1 +ATOM 36500 O O . ALA U 3 432 ? -4.903 -0.707 31.354 1.00 56.43 ? 450 ALA c O 1 +ATOM 36501 C CB . ALA U 3 432 ? -3.929 0.421 28.458 1.00 49.81 ? 450 ALA c CB 1 +ATOM 36502 N N . ALA U 3 433 ? -5.475 1.466 31.102 1.00 51.99 ? 451 ALA c N 1 +ATOM 36503 C CA . ALA U 3 433 ? -5.430 1.750 32.538 1.00 59.57 ? 451 ALA c CA 1 +ATOM 36504 C C . ALA U 3 433 ? -6.588 1.085 33.279 1.00 59.43 ? 451 ALA c C 1 +ATOM 36505 O O . ALA U 3 433 ? -6.391 0.524 34.361 1.00 68.78 ? 451 ALA c O 1 +ATOM 36506 C CB . ALA U 3 433 ? -5.428 3.258 32.789 1.00 51.22 ? 451 ALA c CB 1 +ATOM 36507 N N . ALA U 3 434 ? -7.794 1.110 32.700 1.00 62.12 ? 452 ALA c N 1 +ATOM 36508 C CA . ALA U 3 434 ? -8.913 0.374 33.285 1.00 56.44 ? 452 ALA c CA 1 +ATOM 36509 C C . ALA U 3 434 ? -8.616 -1.115 33.379 1.00 59.28 ? 452 ALA c C 1 +ATOM 36510 O O . ALA U 3 434 ? -9.002 -1.770 34.350 1.00 70.90 ? 452 ALA c O 1 +ATOM 36511 C CB . ALA U 3 434 ? -10.192 0.602 32.475 1.00 54.41 ? 452 ALA c CB 1 +ATOM 36512 N N . ALA U 3 435 ? -7.964 -1.688 32.369 1.00 73.22 ? 453 ALA c N 1 +ATOM 36513 C CA . ALA U 3 435 ? -7.721 -3.126 32.430 1.00 67.17 ? 453 ALA c CA 1 +ATOM 36514 C C . ALA U 3 435 ? -6.465 -3.462 33.217 1.00 55.90 ? 453 ALA c C 1 +ATOM 36515 O O . ALA U 3 435 ? -6.282 -4.618 33.606 1.00 63.55 ? 453 ALA c O 1 +ATOM 36516 C CB . ALA U 3 435 ? -7.637 -3.721 31.025 1.00 70.63 ? 453 ALA c CB 1 +ATOM 36517 N N . GLY U 3 436 ? -5.608 -2.482 33.457 1.00 66.76 ? 454 GLY c N 1 +ATOM 36518 C CA . GLY U 3 436 ? -4.494 -2.643 34.353 1.00 55.11 ? 454 GLY c CA 1 +ATOM 36519 C C . GLY U 3 436 ? -3.127 -2.820 33.734 1.00 67.36 ? 454 GLY c C 1 +ATOM 36520 O O . GLY U 3 436 ? -2.212 -3.245 34.439 1.00 65.99 ? 454 GLY c O 1 +ATOM 36521 N N A PHE U 3 437 ? -2.943 -2.483 32.460 0.40 62.29 ? 455 PHE c N 1 +ATOM 36522 N N B PHE U 3 437 ? -2.945 -2.525 32.442 0.60 62.35 ? 455 PHE c N 1 +ATOM 36523 C CA A PHE U 3 437 ? -1.623 -2.694 31.874 0.40 55.70 ? 455 PHE c CA 1 +ATOM 36524 C CA B PHE U 3 437 ? -1.625 -2.709 31.848 0.60 55.58 ? 455 PHE c CA 1 +ATOM 36525 C C A PHE U 3 437 ? -1.102 -1.468 31.137 0.40 57.73 ? 455 PHE c C 1 +ATOM 36526 C C B PHE U 3 437 ? -1.142 -1.471 31.087 0.60 57.77 ? 455 PHE c C 1 +ATOM 36527 O O A PHE U 3 437 ? -0.326 -1.595 30.191 0.40 57.83 ? 455 PHE c O 1 +ATOM 36528 O O B PHE U 3 437 ? -0.431 -1.595 30.089 0.60 58.06 ? 455 PHE c O 1 +ATOM 36529 C CB A PHE U 3 437 ? -1.606 -3.927 30.965 0.40 58.50 ? 455 PHE c CB 1 +ATOM 36530 C CB B PHE U 3 437 ? -1.589 -3.950 30.950 0.60 58.51 ? 455 PHE c CB 1 +ATOM 36531 C CG A PHE U 3 437 ? -2.793 -4.052 30.045 0.40 62.07 ? 455 PHE c CG 1 +ATOM 36532 C CG B PHE U 3 437 ? -2.774 -4.089 30.023 0.60 62.20 ? 455 PHE c CG 1 +ATOM 36533 C CD1 A PHE U 3 437 ? -2.865 -3.309 28.867 0.40 61.52 ? 455 PHE c CD1 1 +ATOM 36534 C CD1 B PHE U 3 437 ? -2.842 -3.359 28.841 0.60 61.65 ? 455 PHE c CD1 1 +ATOM 36535 C CD2 A PHE U 3 437 ? -3.814 -4.955 30.331 0.40 54.64 ? 455 PHE c CD2 1 +ATOM 36536 C CD2 B PHE U 3 437 ? -3.797 -4.981 30.317 0.60 54.50 ? 455 PHE c CD2 1 +ATOM 36537 C CE1 A PHE U 3 437 ? -3.960 -3.449 27.998 0.40 62.78 ? 455 PHE c CE1 1 +ATOM 36538 C CE1 B PHE U 3 437 ? -3.933 -3.509 27.976 0.60 62.93 ? 455 PHE c CE1 1 +ATOM 36539 C CE2 A PHE U 3 437 ? -4.896 -5.108 29.481 0.40 60.53 ? 455 PHE c CE2 1 +ATOM 36540 C CE2 B PHE U 3 437 ? -4.878 -5.135 29.466 0.60 60.52 ? 455 PHE c CE2 1 +ATOM 36541 C CZ A PHE U 3 437 ? -4.977 -4.350 28.308 0.40 56.24 ? 455 PHE c CZ 1 +ATOM 36542 C CZ B PHE U 3 437 ? -4.952 -4.401 28.293 0.60 56.19 ? 455 PHE c CZ 1 +ATOM 36543 N N A GLU U 3 438 ? -1.466 -0.269 31.593 0.40 55.79 ? 456 GLU c N 1 +ATOM 36544 N N B GLU U 3 438 ? -1.477 -0.272 31.564 0.60 55.67 ? 456 GLU c N 1 +ATOM 36545 C CA A GLU U 3 438 ? -0.974 0.939 30.947 0.40 54.67 ? 456 GLU c CA 1 +ATOM 36546 C CA B GLU U 3 438 ? -0.980 0.940 30.921 0.60 54.57 ? 456 GLU c CA 1 +ATOM 36547 C C A GLU U 3 438 ? 0.497 1.212 31.246 0.40 60.65 ? 456 GLU c C 1 +ATOM 36548 C C B GLU U 3 438 ? 0.484 1.221 31.237 0.60 60.80 ? 456 GLU c C 1 +ATOM 36549 O O A GLU U 3 438 ? 1.098 2.061 30.583 0.40 57.04 ? 456 GLU c O 1 +ATOM 36550 O O B GLU U 3 438 ? 1.092 2.073 30.581 0.60 57.09 ? 456 GLU c O 1 +ATOM 36551 C CB A GLU U 3 438 ? -1.837 2.143 31.352 0.40 55.27 ? 456 GLU c CB 1 +ATOM 36552 C CB B GLU U 3 438 ? -1.841 2.152 31.321 0.60 55.17 ? 456 GLU c CB 1 +ATOM 36553 C CG A GLU U 3 438 ? -1.410 2.872 32.644 0.40 60.29 ? 456 GLU c CG 1 +ATOM 36554 C CG B GLU U 3 438 ? -1.440 2.860 32.629 0.60 60.34 ? 456 GLU c CG 1 +ATOM 36555 C CD A GLU U 3 438 ? -1.851 2.143 33.924 0.40 58.06 ? 456 GLU c CD 1 +ATOM 36556 C CD B GLU U 3 438 ? -1.901 2.113 33.882 0.60 58.02 ? 456 GLU c CD 1 +ATOM 36557 O OE1 A GLU U 3 438 ? -2.371 1.016 33.830 0.40 59.91 ? 456 GLU c OE1 1 +ATOM 36558 O OE1 B GLU U 3 438 ? -2.426 0.988 33.754 0.60 59.95 ? 456 GLU c OE1 1 +ATOM 36559 O OE2 A GLU U 3 438 ? -1.682 2.708 35.018 0.40 62.01 ? 456 GLU c OE2 1 +ATOM 36560 O OE2 B GLU U 3 438 ? -1.740 2.652 34.995 0.60 61.90 ? 456 GLU c OE2 1 +ATOM 36561 N N A LYS U 3 439 ? 1.100 0.521 32.207 0.40 57.98 ? 457 LYS c N 1 +ATOM 36562 N N B LYS U 3 439 ? 1.071 0.526 32.208 0.60 57.96 ? 457 LYS c N 1 +ATOM 36563 C CA A LYS U 3 439 ? 2.498 0.759 32.540 0.40 61.37 ? 457 LYS c CA 1 +ATOM 36564 C CA B LYS U 3 439 ? 2.472 0.731 32.559 0.60 61.46 ? 457 LYS c CA 1 +ATOM 36565 C C A LYS U 3 439 ? 3.426 -0.300 31.970 0.40 56.00 ? 457 LYS c C 1 +ATOM 36566 C C B LYS U 3 439 ? 3.392 -0.319 31.955 0.60 55.82 ? 457 LYS c C 1 +ATOM 36567 O O A LYS U 3 439 ? 4.645 -0.196 32.143 0.40 63.13 ? 457 LYS c O 1 +ATOM 36568 O O B LYS U 3 439 ? 4.610 -0.233 32.131 0.60 63.18 ? 457 LYS c O 1 +ATOM 36569 C CB A LYS U 3 439 ? 2.686 0.837 34.063 0.40 60.73 ? 457 LYS c CB 1 +ATOM 36570 C CB B LYS U 3 439 ? 2.644 0.743 34.082 0.60 60.62 ? 457 LYS c CB 1 +ATOM 36571 C CG A LYS U 3 439 ? 1.901 1.950 34.730 0.40 65.93 ? 457 LYS c CG 1 +ATOM 36572 C CG B LYS U 3 439 ? 1.805 1.794 34.788 0.60 65.94 ? 457 LYS c CG 1 +ATOM 36573 C CD A LYS U 3 439 ? 2.349 2.137 36.169 0.40 70.55 ? 457 LYS c CD 1 +ATOM 36574 C CD B LYS U 3 439 ? 2.321 2.053 36.191 0.60 70.49 ? 457 LYS c CD 1 +ATOM 36575 C CE A LYS U 3 439 ? 1.339 2.955 36.953 0.40 76.38 ? 457 LYS c CE 1 +ATOM 36576 C CE B LYS U 3 439 ? 1.307 2.845 36.994 0.60 76.50 ? 457 LYS c CE 1 +ATOM 36577 N NZ A LYS U 3 439 ? 0.157 2.121 37.291 0.40 91.35 ? 457 LYS c NZ 1 +ATOM 36578 N NZ B LYS U 3 439 ? 0.088 2.030 37.241 0.60 91.71 ? 457 LYS c NZ 1 +ATOM 36579 N N A GLY U 3 440 ? 2.885 -1.314 31.304 0.40 55.16 ? 458 GLY c N 1 +ATOM 36580 N N B GLY U 3 440 ? 2.850 -1.309 31.264 0.60 55.09 ? 458 GLY c N 1 +ATOM 36581 C CA A GLY U 3 440 ? 3.708 -2.345 30.710 0.40 58.90 ? 458 GLY c CA 1 +ATOM 36582 C CA B GLY U 3 440 ? 3.667 -2.332 30.649 0.60 58.89 ? 458 GLY c CA 1 +ATOM 36583 C C A GLY U 3 440 ? 3.174 -3.741 30.956 0.40 60.97 ? 458 GLY c C 1 +ATOM 36584 C C B GLY U 3 440 ? 3.132 -3.721 30.934 0.60 61.04 ? 458 GLY c C 1 +ATOM 36585 O O A GLY U 3 440 ? 2.147 -3.924 31.620 0.40 65.16 ? 458 GLY c O 1 +ATOM 36586 O O B GLY U 3 440 ? 2.098 -3.908 31.576 0.60 65.32 ? 458 GLY c O 1 +ATOM 36587 N N A ILE U 3 441 ? 3.861 -4.731 30.411 0.40 57.43 ? 459 ILE c N 1 +ATOM 36588 N N B ILE U 3 441 ? 3.868 -4.709 30.435 0.60 57.38 ? 459 ILE c N 1 +ATOM 36589 C CA A ILE U 3 441 ? 3.493 -6.130 30.574 0.40 61.44 ? 459 ILE c CA 1 +ATOM 36590 C CA B ILE U 3 441 ? 3.511 -6.116 30.571 0.60 61.51 ? 459 ILE c CA 1 +ATOM 36591 C C A ILE U 3 441 ? 4.112 -6.637 31.873 0.40 61.39 ? 459 ILE c C 1 +ATOM 36592 C C B ILE U 3 441 ? 4.129 -6.658 31.857 0.60 61.38 ? 459 ILE c C 1 +ATOM 36593 O O A ILE U 3 441 ? 5.296 -6.397 32.139 0.40 60.75 ? 459 ILE c O 1 +ATOM 36594 O O B ILE U 3 441 ? 5.305 -6.404 32.144 0.60 60.80 ? 459 ILE c O 1 +ATOM 36595 C CB A ILE U 3 441 ? 3.971 -6.960 29.371 0.40 51.62 ? 459 ILE c CB 1 +ATOM 36596 C CB B ILE U 3 441 ? 3.988 -6.916 29.347 0.60 51.39 ? 459 ILE c CB 1 +ATOM 36597 C CG1 A ILE U 3 441 ? 3.300 -6.477 28.072 0.40 59.98 ? 459 ILE c CG1 1 +ATOM 36598 C CG1 B ILE U 3 441 ? 3.255 -6.461 28.081 0.60 60.10 ? 459 ILE c CG1 1 +ATOM 36599 C CG2 A ILE U 3 441 ? 3.729 -8.457 29.595 0.40 57.43 ? 459 ILE c CG2 1 +ATOM 36600 C CG2 B ILE U 3 441 ? 3.806 -8.420 29.561 0.60 57.39 ? 459 ILE c CG2 1 +ATOM 36601 C CD1 A ILE U 3 441 ? 4.047 -6.915 26.786 0.40 47.14 ? 459 ILE c CD1 1 +ATOM 36602 C CD1 B ILE U 3 441 ? 3.928 -6.912 26.780 0.60 47.08 ? 459 ILE c CD1 1 +ATOM 36603 N N A ASP U 3 442 ? 3.313 -7.318 32.693 0.40 67.73 ? 460 ASP c N 1 +ATOM 36604 N N B ASP U 3 442 ? 3.339 -7.393 32.640 0.60 67.82 ? 460 ASP c N 1 +ATOM 36605 C CA A ASP U 3 442 ? 3.845 -7.957 33.898 0.40 61.95 ? 460 ASP c CA 1 +ATOM 36606 C CA B ASP U 3 442 ? 3.861 -8.005 33.861 0.60 61.83 ? 460 ASP c CA 1 +ATOM 36607 C C A ASP U 3 442 ? 4.722 -9.136 33.498 0.40 62.35 ? 460 ASP c C 1 +ATOM 36608 C C B ASP U 3 442 ? 4.746 -9.190 33.494 0.60 62.27 ? 460 ASP c C 1 +ATOM 36609 O O A ASP U 3 442 ? 4.252 -10.066 32.831 0.40 61.37 ? 460 ASP c O 1 +ATOM 36610 O O B ASP U 3 442 ? 4.289 -10.140 32.846 0.60 61.19 ? 460 ASP c O 1 +ATOM 36611 C CB A ASP U 3 442 ? 2.708 -8.409 34.816 0.40 74.89 ? 460 ASP c CB 1 +ATOM 36612 C CB B ASP U 3 442 ? 2.717 -8.435 34.776 0.60 74.97 ? 460 ASP c CB 1 +ATOM 36613 C CG A ASP U 3 442 ? 3.208 -9.173 36.042 0.40 75.62 ? 460 ASP c CG 1 +ATOM 36614 C CG B ASP U 3 442 ? 3.200 -9.186 36.015 0.60 75.65 ? 460 ASP c CG 1 +ATOM 36615 O OD1 A ASP U 3 442 ? 3.949 -8.601 36.864 0.40 83.06 ? 460 ASP c OD1 1 +ATOM 36616 O OD1 B ASP U 3 442 ? 3.945 -8.605 36.833 0.60 83.23 ? 460 ASP c OD1 1 +ATOM 36617 O OD2 A ASP U 3 442 ? 2.861 -10.355 36.180 0.40 85.34 ? 460 ASP c OD2 1 +ATOM 36618 O OD2 B ASP U 3 442 ? 2.825 -10.363 36.166 0.60 85.62 ? 460 ASP c OD2 1 +ATOM 36619 N N A ARG U 3 443 ? 6.000 -9.091 33.890 0.40 60.06 ? 461 ARG c N 1 +ATOM 36620 N N B ARG U 3 443 ? 6.020 -9.121 33.888 0.60 59.91 ? 461 ARG c N 1 +ATOM 36621 C CA A ARG U 3 443 ? 6.939 -10.136 33.477 0.40 70.18 ? 461 ARG c CA 1 +ATOM 36622 C CA B ARG U 3 443 ? 6.982 -10.148 33.494 0.60 70.27 ? 461 ARG c CA 1 +ATOM 36623 C C A ARG U 3 443 ? 6.504 -11.528 33.937 0.40 69.70 ? 461 ARG c C 1 +ATOM 36624 C C B ARG U 3 443 ? 6.565 -11.542 33.960 0.60 69.56 ? 461 ARG c C 1 +ATOM 36625 O O A ARG U 3 443 ? 6.629 -12.502 33.185 0.40 82.55 ? 461 ARG c O 1 +ATOM 36626 O O B ARG U 3 443 ? 6.756 -12.525 33.235 0.60 82.90 ? 461 ARG c O 1 +ATOM 36627 C CB A ARG U 3 443 ? 8.335 -9.835 34.012 0.40 68.59 ? 461 ARG c CB 1 +ATOM 36628 C CB B ARG U 3 443 ? 8.364 -9.806 34.042 0.60 68.59 ? 461 ARG c CB 1 +ATOM 36629 C CG A ARG U 3 443 ? 8.977 -8.644 33.400 0.40 65.10 ? 461 ARG c CG 1 +ATOM 36630 C CG B ARG U 3 443 ? 9.015 -8.629 33.381 0.60 65.15 ? 461 ARG c CG 1 +ATOM 36631 C CD A ARG U 3 443 ? 10.368 -8.465 33.944 0.40 64.70 ? 461 ARG c CD 1 +ATOM 36632 C CD B ARG U 3 443 ? 10.406 -8.448 33.916 0.60 64.74 ? 461 ARG c CD 1 +ATOM 36633 N NE A ARG U 3 443 ? 11.061 -7.349 33.316 0.40 64.66 ? 461 ARG c NE 1 +ATOM 36634 N NE B ARG U 3 443 ? 11.098 -7.326 33.295 0.60 64.61 ? 461 ARG c NE 1 +ATOM 36635 C CZ A ARG U 3 443 ? 11.871 -7.473 32.277 0.40 62.42 ? 461 ARG c CZ 1 +ATOM 36636 C CZ B ARG U 3 443 ? 11.943 -7.445 32.282 0.60 62.41 ? 461 ARG c CZ 1 +ATOM 36637 N NH1 A ARG U 3 443 ? 12.084 -8.649 31.706 0.40 60.53 ? 461 ARG c NH1 1 +ATOM 36638 N NH1 B ARG U 3 443 ? 12.200 -8.624 31.733 0.60 60.45 ? 461 ARG c NH1 1 +ATOM 36639 N NH2 A ARG U 3 443 ? 12.480 -6.392 31.800 0.40 61.01 ? 461 ARG c NH2 1 +ATOM 36640 N NH2 B ARG U 3 443 ? 12.548 -6.359 31.812 0.60 61.00 ? 461 ARG c NH2 1 +ATOM 36641 N N . GLU U 3 444 ? 6.005 -11.654 35.163 0.50 58.94 ? 462 GLU c N 1 +ATOM 36642 C CA A GLU U 3 444 ? 5.671 -12.985 35.646 0.50 76.90 ? 462 GLU c CA 1 +ATOM 36643 C CA B GLU U 3 444 ? 5.635 -12.959 35.695 0.50 76.96 ? 462 GLU c CA 1 +ATOM 36644 C C . GLU U 3 444 ? 4.358 -13.509 35.080 0.50 61.76 ? 462 GLU c C 1 +ATOM 36645 O O . GLU U 3 444 ? 4.117 -14.714 35.150 0.50 61.76 ? 462 GLU c O 1 +ATOM 36646 C CB A GLU U 3 444 ? 5.636 -13.001 37.177 0.50 88.30 ? 462 GLU c CB 1 +ATOM 36647 C CB B GLU U 3 444 ? 5.464 -12.892 37.218 0.50 87.90 ? 462 GLU c CB 1 +ATOM 36648 C CG A GLU U 3 444 ? 6.962 -13.431 37.817 0.50 87.39 ? 462 GLU c CG 1 +ATOM 36649 C CG B GLU U 3 444 ? 6.652 -12.310 37.982 0.50 82.20 ? 462 GLU c CG 1 +ATOM 36650 C CD A GLU U 3 444 ? 8.150 -12.631 37.306 0.50 86.40 ? 462 GLU c CD 1 +ATOM 36651 C CD B GLU U 3 444 ? 6.600 -12.643 39.461 0.50 94.21 ? 462 GLU c CD 1 +ATOM 36652 O OE1 A GLU U 3 444 ? 8.203 -11.407 37.559 0.50 78.10 ? 462 GLU c OE1 1 +ATOM 36653 O OE1 B GLU U 3 444 ? 6.165 -13.767 39.800 0.50 94.81 ? 462 GLU c OE1 1 +ATOM 36654 O OE2 A GLU U 3 444 ? 9.026 -13.225 36.638 0.50 88.24 ? 462 GLU c OE2 1 +ATOM 36655 O OE2 B GLU U 3 444 ? 6.981 -11.781 40.283 0.50 85.05 ? 462 GLU c OE2 1 +ATOM 36656 N N . SER U 3 445 ? 3.528 -12.659 34.479 1.00 63.76 ? 463 SER c N 1 +ATOM 36657 C CA . SER U 3 445 ? 2.235 -13.091 33.940 1.00 78.17 ? 463 SER c CA 1 +ATOM 36658 C C . SER U 3 445 ? 2.001 -12.563 32.512 1.00 75.44 ? 463 SER c C 1 +ATOM 36659 O O . SER U 3 445 ? 0.939 -12.019 32.195 1.00 72.94 ? 463 SER c O 1 +ATOM 36660 C CB . SER U 3 445 ? 1.106 -12.630 34.858 1.00 63.37 ? 463 SER c CB 1 +ATOM 36661 O OG . SER U 3 445 ? -0.112 -13.271 34.522 1.00 91.95 ? 463 SER c OG 1 +ATOM 36662 N N A GLU U 3 446 ? 2.982 -12.743 31.630 0.40 73.23 ? 464 GLU c N 1 +ATOM 36663 N N B GLU U 3 446 ? 2.982 -12.712 31.639 0.60 73.38 ? 464 GLU c N 1 +ATOM 36664 C CA A GLU U 3 446 ? 2.868 -12.215 30.266 0.40 64.07 ? 464 GLU c CA 1 +ATOM 36665 C CA B GLU U 3 446 ? 2.854 -12.184 30.279 0.60 64.01 ? 464 GLU c CA 1 +ATOM 36666 C C A GLU U 3 446 ? 1.783 -12.965 29.496 0.40 61.62 ? 464 GLU c C 1 +ATOM 36667 C C B GLU U 3 446 ? 1.792 -12.951 29.496 0.60 61.59 ? 464 GLU c C 1 +ATOM 36668 O O A GLU U 3 446 ? 1.949 -14.164 29.238 0.40 57.12 ? 464 GLU c O 1 +ATOM 36669 O O B GLU U 3 446 ? 1.992 -14.142 29.214 0.60 56.97 ? 464 GLU c O 1 +ATOM 36670 C CB A GLU U 3 446 ? 4.211 -12.320 29.540 0.40 67.27 ? 464 GLU c CB 1 +ATOM 36671 C CB B GLU U 3 446 ? 4.200 -12.254 29.566 0.60 67.32 ? 464 GLU c CB 1 +ATOM 36672 C CG A GLU U 3 446 ? 4.172 -11.807 28.097 0.40 63.32 ? 464 GLU c CG 1 +ATOM 36673 C CG B GLU U 3 446 ? 4.158 -11.796 28.115 0.60 63.38 ? 464 GLU c CG 1 +ATOM 36674 C CD A GLU U 3 446 ? 5.547 -11.681 27.482 0.40 64.09 ? 464 GLU c CD 1 +ATOM 36675 C CD B GLU U 3 446 ? 5.533 -11.711 27.506 0.60 64.13 ? 464 GLU c CD 1 +ATOM 36676 O OE1 A GLU U 3 446 ? 6.553 -11.956 28.174 0.40 62.47 ? 464 GLU c OE1 1 +ATOM 36677 O OE1 B GLU U 3 446 ? 6.521 -12.028 28.205 0.60 62.52 ? 464 GLU c OE1 1 +ATOM 36678 O OE2 A GLU U 3 446 ? 5.620 -11.309 26.289 0.40 70.57 ? 464 GLU c OE2 1 +ATOM 36679 O OE2 B GLU U 3 446 ? 5.625 -11.324 26.324 0.60 70.93 ? 464 GLU c OE2 1 +ATOM 36680 N N . PRO U 3 447 ? 0.668 -12.318 29.117 1.00 57.23 ? 465 PRO c N 1 +ATOM 36681 C CA . PRO U 3 447 ? -0.452 -13.082 28.508 1.00 64.52 ? 465 PRO c CA 1 +ATOM 36682 C C . PRO U 3 447 ? -0.092 -13.902 27.275 1.00 67.80 ? 465 PRO c C 1 +ATOM 36683 O O . PRO U 3 447 ? -0.620 -15.010 27.100 1.00 64.37 ? 465 PRO c O 1 +ATOM 36684 C CB . PRO U 3 447 ? -1.481 -11.987 28.164 1.00 58.07 ? 465 PRO c CB 1 +ATOM 36685 C CG . PRO U 3 447 ? -1.137 -10.826 29.033 1.00 57.47 ? 465 PRO c CG 1 +ATOM 36686 C CD . PRO U 3 447 ? 0.342 -10.890 29.306 1.00 54.18 ? 465 PRO c CD 1 +ATOM 36687 N N A VAL U 3 448 ? 0.811 -13.407 26.430 0.40 56.88 ? 466 VAL c N 1 +ATOM 36688 N N B VAL U 3 448 ? 0.785 -13.387 26.405 0.60 56.81 ? 466 VAL c N 1 +ATOM 36689 C CA A VAL U 3 448 ? 1.115 -14.140 25.201 0.40 59.80 ? 466 VAL c CA 1 +ATOM 36690 C CA B VAL U 3 448 ? 1.106 -14.101 25.170 0.60 59.84 ? 466 VAL c CA 1 +ATOM 36691 C C A VAL U 3 448 ? 1.769 -15.476 25.513 0.40 61.00 ? 466 VAL c C 1 +ATOM 36692 C C B VAL U 3 448 ? 1.730 -15.455 25.474 0.60 60.92 ? 466 VAL c C 1 +ATOM 36693 O O A VAL U 3 448 ? 1.587 -16.447 24.771 0.40 59.79 ? 466 VAL c O 1 +ATOM 36694 O O B VAL U 3 448 ? 1.540 -16.418 24.720 0.60 59.75 ? 466 VAL c O 1 +ATOM 36695 C CB A VAL U 3 448 ? 1.972 -13.264 24.253 0.40 61.95 ? 466 VAL c CB 1 +ATOM 36696 C CB B VAL U 3 448 ? 2.011 -13.229 24.265 0.60 62.03 ? 466 VAL c CB 1 +ATOM 36697 C CG1 A VAL U 3 448 ? 2.640 -14.082 23.159 0.40 56.08 ? 466 VAL c CG1 1 +ATOM 36698 C CG1 B VAL U 3 448 ? 2.798 -14.071 23.272 0.60 55.96 ? 466 VAL c CG1 1 +ATOM 36699 C CG2 A VAL U 3 448 ? 1.098 -12.213 23.614 0.40 57.96 ? 466 VAL c CG2 1 +ATOM 36700 C CG2 B VAL U 3 448 ? 1.167 -12.217 23.507 0.60 57.83 ? 466 VAL c CG2 1 +ATOM 36701 N N A LEU U 3 449 ? 2.491 -15.576 26.636 0.40 63.70 ? 467 LEU c N 1 +ATOM 36702 N N B LEU U 3 449 ? 2.455 -15.566 26.590 0.60 63.76 ? 467 LEU c N 1 +ATOM 36703 C CA A LEU U 3 449 ? 3.116 -16.852 26.978 0.40 64.68 ? 467 LEU c CA 1 +ATOM 36704 C CA B LEU U 3 449 ? 3.098 -16.829 26.932 0.60 64.67 ? 467 LEU c CA 1 +ATOM 36705 C C A LEU U 3 449 ? 2.090 -17.924 27.332 0.40 67.79 ? 467 LEU c C 1 +ATOM 36706 C C B LEU U 3 449 ? 2.092 -17.918 27.289 0.60 67.88 ? 467 LEU c C 1 +ATOM 36707 O O A LEU U 3 449 ? 2.409 -19.116 27.260 0.40 67.72 ? 467 LEU c O 1 +ATOM 36708 O O B LEU U 3 449 ? 2.441 -19.102 27.240 0.60 67.82 ? 467 LEU c O 1 +ATOM 36709 C CB A LEU U 3 449 ? 4.106 -16.680 28.127 0.40 58.99 ? 467 LEU c CB 1 +ATOM 36710 C CB B LEU U 3 449 ? 4.082 -16.622 28.086 0.60 58.89 ? 467 LEU c CB 1 +ATOM 36711 C CG A LEU U 3 449 ? 5.256 -15.708 27.849 0.40 69.27 ? 467 LEU c CG 1 +ATOM 36712 C CG B LEU U 3 449 ? 5.260 -15.687 27.801 0.60 69.37 ? 467 LEU c CG 1 +ATOM 36713 C CD1 A LEU U 3 449 ? 6.109 -15.522 29.085 0.40 68.88 ? 467 LEU c CD1 1 +ATOM 36714 C CD1 B LEU U 3 449 ? 6.089 -15.458 29.051 0.60 69.00 ? 467 LEU c CD1 1 +ATOM 36715 C CD2 A LEU U 3 449 ? 6.105 -16.168 26.685 0.40 61.40 ? 467 LEU c CD2 1 +ATOM 36716 C CD2 B LEU U 3 449 ? 6.132 -16.217 26.695 0.60 61.36 ? 467 LEU c CD2 1 +ATOM 36717 N N . SER U 3 450 ? 0.857 -17.555 27.641 1.00 69.82 ? 468 SER c N 1 +ATOM 36718 C CA . SER U 3 450 ? -0.164 -18.553 27.934 1.00 68.21 ? 468 SER c CA 1 +ATOM 36719 C C . SER U 3 450 ? -1.000 -18.906 26.724 1.00 69.34 ? 468 SER c C 1 +ATOM 36720 O O . SER U 3 450 ? -1.886 -19.758 26.834 1.00 77.11 ? 468 SER c O 1 +ATOM 36721 C CB . SER U 3 450 ? -1.083 -18.071 29.055 1.00 71.44 ? 468 SER c CB 1 +ATOM 36722 O OG . SER U 3 450 ? -0.307 -17.599 30.137 1.00 84.10 ? 468 SER c OG 1 +ATOM 36723 N N . MET U 3 451 ? -0.747 -18.285 25.588 1.00 68.07 ? 469 MET c N 1 +ATOM 36724 C CA . MET U 3 451 ? -1.548 -18.532 24.402 1.00 58.02 ? 469 MET c CA 1 +ATOM 36725 C C . MET U 3 451 ? -0.894 -19.589 23.528 1.00 53.85 ? 469 MET c C 1 +ATOM 36726 O O . MET U 3 451 ? 0.335 -19.664 23.454 1.00 67.46 ? 469 MET c O 1 +ATOM 36727 C CB . MET U 3 451 ? -1.714 -17.250 23.590 1.00 65.58 ? 469 MET c CB 1 +ATOM 36728 C CG . MET U 3 451 ? -2.353 -16.131 24.366 1.00 68.77 ? 469 MET c CG 1 +ATOM 36729 S SD . MET U 3 451 ? -2.462 -14.621 23.391 1.00 64.64 ? 469 MET c SD 1 +ATOM 36730 C CE . MET U 3 451 ? -3.216 -13.517 24.557 1.00 57.05 ? 469 MET c CE 1 +ATOM 36731 N N . PRO U 3 452 ? -1.686 -20.410 22.845 1.00 65.78 ? 470 PRO c N 1 +ATOM 36732 C CA . PRO U 3 452 ? -1.100 -21.392 21.921 1.00 64.60 ? 470 PRO c CA 1 +ATOM 36733 C C . PRO U 3 452 ? -0.329 -20.693 20.805 1.00 67.55 ? 470 PRO c C 1 +ATOM 36734 O O . PRO U 3 452 ? -0.607 -19.537 20.455 1.00 72.31 ? 470 PRO c O 1 +ATOM 36735 C CB . PRO U 3 452 ? -2.323 -22.139 21.377 1.00 56.95 ? 470 PRO c CB 1 +ATOM 36736 C CG . PRO U 3 452 ? -3.453 -21.170 21.518 1.00 63.02 ? 470 PRO c CG 1 +ATOM 36737 C CD . PRO U 3 452 ? -3.159 -20.378 22.769 1.00 60.84 ? 470 PRO c CD 1 +ATOM 36738 N N . SER U 3 453 ? 0.669 -21.388 20.268 0.50 42.67 ? 471 SER c N 1 +ATOM 36739 C CA A SER U 3 453 ? 1.437 -20.843 19.159 0.50 60.06 ? 471 SER c CA 1 +ATOM 36740 C CA B SER U 3 453 ? 1.433 -20.827 19.165 0.50 60.06 ? 471 SER c CA 1 +ATOM 36741 C C . SER U 3 453 ? 0.558 -20.698 17.924 0.50 48.21 ? 471 SER c C 1 +ATOM 36742 O O . SER U 3 453 ? -0.425 -21.419 17.746 0.50 42.92 ? 471 SER c O 1 +ATOM 36743 C CB A SER U 3 453 ? 2.636 -21.737 18.842 0.50 63.45 ? 471 SER c CB 1 +ATOM 36744 C CB B SER U 3 453 ? 2.652 -21.689 18.854 0.50 63.47 ? 471 SER c CB 1 +ATOM 36745 O OG A SER U 3 453 ? 3.592 -21.697 19.885 0.50 72.10 ? 471 SER c OG 1 +ATOM 36746 O OG B SER U 3 453 ? 2.294 -22.754 17.999 0.50 67.28 ? 471 SER c OG 1 +ATOM 36747 N N . LEU U 3 454 ? 0.913 -19.741 17.063 1.00 69.19 ? 472 LEU c N 1 +ATOM 36748 C CA . LEU U 3 454 ? 0.145 -19.541 15.829 1.00 67.29 ? 472 LEU c CA 1 +ATOM 36749 C C . LEU U 3 454 ? 0.475 -20.598 14.794 1.00 61.45 ? 472 LEU c C 1 +ATOM 36750 O O . LEU U 3 454 ? -0.334 -20.870 13.899 1.00 66.52 ? 472 LEU c O 1 +ATOM 36751 C CB . LEU U 3 454 ? 0.404 -18.155 15.228 1.00 53.06 ? 472 LEU c CB 1 +ATOM 36752 C CG . LEU U 3 454 ? 0.034 -16.924 16.042 1.00 57.61 ? 472 LEU c CG 1 +ATOM 36753 C CD1 . LEU U 3 454 ? 0.494 -15.678 15.314 1.00 52.89 ? 472 LEU c CD1 1 +ATOM 36754 C CD2 . LEU U 3 454 ? -1.469 -16.867 16.335 1.00 61.21 ? 472 LEU c CD2 1 +ATOM 36755 N N . ASP U 3 455 ? 1.665 -21.168 14.881 1.00 65.16 ? 473 ASP c N 1 +ATOM 36756 C CA . ASP U 3 455 ? 2.067 -22.234 13.989 1.00 65.06 ? 473 ASP c CA 1 +ATOM 36757 C C . ASP U 3 455 ? 3.219 -23.013 14.613 1.00 85.98 ? 473 ASP c C 1 +ATOM 36758 O O . ASP U 3 455 ? 3.791 -23.908 13.991 1.00 79.53 ? 473 ASP c O 1 +ATOM 36759 C CB . ASP U 3 455 ? 2.453 -21.684 12.612 1.00 67.89 ? 473 ASP c CB 1 +ATOM 36760 C CG . ASP U 3 455 ? 3.479 -20.546 12.668 1.00 65.85 ? 473 ASP c CG 1 +ATOM 36761 O OD1 . ASP U 3 455 ? 3.927 -20.112 13.757 1.00 68.77 ? 473 ASP c OD1 1 +ATOM 36762 O OD2 . ASP U 3 455 ? 3.832 -20.074 11.575 1.00 64.90 ? 473 ASP c OD2 1 +ATOM 36763 O OXT . ASP U 3 455 ? 3.593 -22.757 15.766 1.00 74.49 ? 473 ASP c OXT 1 +ATOM 36764 N N . ARG V 4 2 ? 59.421 5.775 24.211 1.00 131.30 ? 12 ARG d N 1 +ATOM 36765 C CA . ARG V 4 2 ? 58.801 6.999 24.704 1.00 119.26 ? 12 ARG d CA 1 +ATOM 36766 C C . ARG V 4 2 ? 59.142 8.172 23.804 1.00 127.48 ? 12 ARG d C 1 +ATOM 36767 O O . ARG V 4 2 ? 59.444 9.268 24.291 1.00 118.75 ? 12 ARG d O 1 +ATOM 36768 C CB . ARG V 4 2 ? 59.238 7.303 26.139 1.00 115.99 ? 12 ARG d CB 1 +ATOM 36769 C CG . ARG V 4 2 ? 58.395 6.622 27.219 1.00 152.22 ? 12 ARG d CG 1 +ATOM 36770 C CD . ARG V 4 2 ? 56.957 7.164 27.271 1.00 155.77 ? 12 ARG d CD 1 +ATOM 36771 N NE . ARG V 4 2 ? 56.058 6.512 26.320 1.00 148.98 ? 12 ARG d NE 1 +ATOM 36772 C CZ . ARG V 4 2 ? 54.737 6.652 26.314 1.00 134.15 ? 12 ARG d CZ 1 +ATOM 36773 N NH1 . ARG V 4 2 ? 54.118 7.423 27.196 1.00 133.73 ? 12 ARG d NH1 1 +ATOM 36774 N NH2 . ARG V 4 2 ? 54.016 5.996 25.407 1.00 123.59 ? 12 ARG d NH2 1 +ATOM 36775 N N . GLY V 4 3 ? 59.095 7.930 22.492 1.00 82.42 ? 13 GLY d N 1 +ATOM 36776 C CA . GLY V 4 3 ? 59.331 8.979 21.525 1.00 76.73 ? 13 GLY d CA 1 +ATOM 36777 C C . GLY V 4 3 ? 58.226 10.022 21.519 1.00 89.05 ? 13 GLY d C 1 +ATOM 36778 O O . GLY V 4 3 ? 57.141 9.851 22.080 1.00 74.50 ? 13 GLY d O 1 +ATOM 36779 N N . TRP V 4 4 ? 58.524 11.144 20.868 1.00 70.17 ? 14 TRP d N 1 +ATOM 36780 C CA . TRP V 4 4 ? 57.535 12.210 20.766 1.00 87.15 ? 14 TRP d CA 1 +ATOM 36781 C C . TRP V 4 4 ? 56.253 11.719 20.109 1.00 90.52 ? 14 TRP d C 1 +ATOM 36782 O O . TRP V 4 4 ? 55.158 12.171 20.466 1.00 74.21 ? 14 TRP d O 1 +ATOM 36783 C CB . TRP V 4 4 ? 58.114 13.375 19.978 1.00 76.49 ? 14 TRP d CB 1 +ATOM 36784 C CG . TRP V 4 4 ? 58.389 13.004 18.565 1.00 91.91 ? 14 TRP d CG 1 +ATOM 36785 C CD1 . TRP V 4 4 ? 59.541 12.477 18.069 1.00 85.15 ? 14 TRP d CD1 1 +ATOM 36786 C CD2 . TRP V 4 4 ? 57.485 13.114 17.457 1.00 95.53 ? 14 TRP d CD2 1 +ATOM 36787 N NE1 . TRP V 4 4 ? 59.415 12.258 16.717 1.00 111.69 ? 14 TRP d NE1 1 +ATOM 36788 C CE2 . TRP V 4 4 ? 58.163 12.644 16.318 1.00 103.74 ? 14 TRP d CE2 1 +ATOM 36789 C CE3 . TRP V 4 4 ? 56.168 13.565 17.319 1.00 92.86 ? 14 TRP d CE3 1 +ATOM 36790 C CZ2 . TRP V 4 4 ? 57.571 12.615 15.058 1.00 87.02 ? 14 TRP d CZ2 1 +ATOM 36791 C CZ3 . TRP V 4 4 ? 55.585 13.537 16.073 1.00 80.26 ? 14 TRP d CZ3 1 +ATOM 36792 C CH2 . TRP V 4 4 ? 56.285 13.066 14.957 1.00 85.68 ? 14 TRP d CH2 1 +ATOM 36793 N N . PHE V 4 5 ? 56.367 10.784 19.159 1.00 85.71 ? 15 PHE d N 1 +ATOM 36794 C CA . PHE V 4 5 ? 55.181 10.256 18.500 1.00 71.13 ? 15 PHE d CA 1 +ATOM 36795 C C . PHE V 4 5 ? 54.240 9.596 19.501 1.00 67.91 ? 15 PHE d C 1 +ATOM 36796 O O . PHE V 4 5 ? 53.023 9.807 19.460 1.00 69.22 ? 15 PHE d O 1 +ATOM 36797 C CB . PHE V 4 5 ? 55.569 9.264 17.405 1.00 88.06 ? 15 PHE d CB 1 +ATOM 36798 C CG . PHE V 4 5 ? 54.385 8.716 16.682 1.00 63.47 ? 15 PHE d CG 1 +ATOM 36799 C CD1 . PHE V 4 5 ? 53.744 7.576 17.142 1.00 71.22 ? 15 PHE d CD1 1 +ATOM 36800 C CD2 . PHE V 4 5 ? 53.866 9.383 15.586 1.00 79.10 ? 15 PHE d CD2 1 +ATOM 36801 C CE1 . PHE V 4 5 ? 52.629 7.090 16.502 1.00 73.71 ? 15 PHE d CE1 1 +ATOM 36802 C CE2 . PHE V 4 5 ? 52.750 8.906 14.937 1.00 75.14 ? 15 PHE d CE2 1 +ATOM 36803 C CZ . PHE V 4 5 ? 52.132 7.749 15.391 1.00 76.64 ? 15 PHE d CZ 1 +ATOM 36804 N N . ASP V 4 6 ? 54.784 8.786 20.405 1.00 73.49 ? 16 ASP d N 1 +ATOM 36805 C CA . ASP V 4 6 ? 53.939 8.104 21.381 1.00 77.34 ? 16 ASP d CA 1 +ATOM 36806 C C . ASP V 4 6 ? 53.393 9.061 22.429 1.00 82.75 ? 16 ASP d C 1 +ATOM 36807 O O . ASP V 4 6 ? 52.271 8.867 22.916 1.00 69.03 ? 16 ASP d O 1 +ATOM 36808 C CB . ASP V 4 6 ? 54.720 6.974 22.040 1.00 72.17 ? 16 ASP d CB 1 +ATOM 36809 C CG . ASP V 4 6 ? 55.188 5.948 21.035 1.00 91.99 ? 16 ASP d CG 1 +ATOM 36810 O OD1 . ASP V 4 6 ? 54.338 5.465 20.250 1.00 88.49 ? 16 ASP d OD1 1 +ATOM 36811 O OD2 . ASP V 4 6 ? 56.401 5.648 21.010 1.00 88.85 ? 16 ASP d OD2 1 +ATOM 36812 N N . ILE V 4 7 ? 54.165 10.089 22.793 1.00 79.11 ? 17 ILE d N 1 +ATOM 36813 C CA . ILE V 4 7 ? 53.646 11.112 23.691 1.00 76.16 ? 17 ILE d CA 1 +ATOM 36814 C C . ILE V 4 7 ? 52.526 11.878 23.010 1.00 66.92 ? 17 ILE d C 1 +ATOM 36815 O O . ILE V 4 7 ? 51.471 12.140 23.609 1.00 67.45 ? 17 ILE d O 1 +ATOM 36816 C CB . ILE V 4 7 ? 54.775 12.054 24.158 1.00 93.80 ? 17 ILE d CB 1 +ATOM 36817 C CG1 . ILE V 4 7 ? 55.881 11.263 24.854 1.00 89.07 ? 17 ILE d CG1 1 +ATOM 36818 C CG2 . ILE V 4 7 ? 54.231 13.112 25.112 1.00 77.44 ? 17 ILE d CG2 1 +ATOM 36819 C CD1 . ILE V 4 7 ? 55.428 10.604 26.136 1.00 93.31 ? 17 ILE d CD1 1 +ATOM 36820 N N . LEU V 4 8 ? 52.727 12.236 21.742 1.00 63.88 ? 18 LEU d N 1 +ATOM 36821 C CA . LEU V 4 8 ? 51.681 12.942 21.010 1.00 74.26 ? 18 LEU d CA 1 +ATOM 36822 C C . LEU V 4 8 ? 50.435 12.080 20.877 1.00 58.21 ? 18 LEU d C 1 +ATOM 36823 O O . LEU V 4 8 ? 49.313 12.586 20.980 1.00 65.76 ? 18 LEU d O 1 +ATOM 36824 C CB . LEU V 4 8 ? 52.190 13.376 19.641 1.00 64.89 ? 18 LEU d CB 1 +ATOM 36825 C CG . LEU V 4 8 ? 51.191 14.198 18.828 1.00 78.93 ? 18 LEU d CG 1 +ATOM 36826 C CD1 . LEU V 4 8 ? 50.595 15.333 19.655 1.00 69.13 ? 18 LEU d CD1 1 +ATOM 36827 C CD2 . LEU V 4 8 ? 51.870 14.734 17.579 1.00 81.41 ? 18 LEU d CD2 1 +ATOM 36828 N N . ASP V 4 9 ? 50.619 10.772 20.678 1.00 67.39 ? 19 ASP d N 1 +ATOM 36829 C CA . ASP V 4 9 ? 49.489 9.853 20.603 1.00 63.72 ? 19 ASP d CA 1 +ATOM 36830 C C . ASP V 4 9 ? 48.743 9.811 21.927 1.00 76.94 ? 19 ASP d C 1 +ATOM 36831 O O . ASP V 4 9 ? 47.506 9.869 21.954 1.00 69.41 ? 19 ASP d O 1 +ATOM 36832 C CB . ASP V 4 9 ? 49.976 8.452 20.209 1.00 65.99 ? 19 ASP d CB 1 +ATOM 36833 C CG . ASP V 4 9 ? 48.824 7.486 19.903 1.00 77.36 ? 19 ASP d CG 1 +ATOM 36834 O OD1 . ASP V 4 9 ? 48.239 7.572 18.800 1.00 71.15 ? 19 ASP d OD1 1 +ATOM 36835 O OD2 . ASP V 4 9 ? 48.495 6.646 20.762 1.00 67.49 ? 19 ASP d OD2 1 +ATOM 36836 N N . ASP V 4 10 ? 49.491 9.695 23.034 1.00 71.88 ? 20 ASP d N 1 +ATOM 36837 C CA . ASP V 4 10 ? 48.926 9.792 24.380 1.00 71.62 ? 20 ASP d CA 1 +ATOM 36838 C C . ASP V 4 10 ? 47.987 10.981 24.512 1.00 65.73 ? 20 ASP d C 1 +ATOM 36839 O O . ASP V 4 10 ? 46.836 10.837 24.940 1.00 62.81 ? 20 ASP d O 1 +ATOM 36840 C CB . ASP V 4 10 ? 50.050 9.917 25.413 1.00 73.45 ? 20 ASP d CB 1 +ATOM 36841 C CG . ASP V 4 10 ? 50.640 8.584 25.818 1.00 93.44 ? 20 ASP d CG 1 +ATOM 36842 O OD1 . ASP V 4 10 ? 49.925 7.557 25.757 1.00 92.11 ? 20 ASP d OD1 1 +ATOM 36843 O OD2 . ASP V 4 10 ? 51.827 8.572 26.218 1.00 95.35 ? 20 ASP d OD2 1 +ATOM 36844 N N . TRP V 4 11 ? 48.469 12.172 24.147 1.00 62.69 ? 21 TRP d N 1 +ATOM 36845 C CA . TRP V 4 11 ? 47.699 13.388 24.383 1.00 71.57 ? 21 TRP d CA 1 +ATOM 36846 C C . TRP V 4 11 ? 46.475 13.472 23.469 1.00 88.12 ? 21 TRP d C 1 +ATOM 36847 O O . TRP V 4 11 ? 45.385 13.860 23.918 1.00 65.43 ? 21 TRP d O 1 +ATOM 36848 C CB . TRP V 4 11 ? 48.593 14.619 24.205 1.00 70.91 ? 21 TRP d CB 1 +ATOM 36849 C CG . TRP V 4 11 ? 47.908 15.890 24.598 1.00 77.75 ? 21 TRP d CG 1 +ATOM 36850 C CD1 . TRP V 4 11 ? 47.880 16.456 25.838 1.00 73.55 ? 21 TRP d CD1 1 +ATOM 36851 C CD2 . TRP V 4 11 ? 47.120 16.739 23.750 1.00 82.74 ? 21 TRP d CD2 1 +ATOM 36852 N NE1 . TRP V 4 11 ? 47.136 17.614 25.814 1.00 88.52 ? 21 TRP d NE1 1 +ATOM 36853 C CE2 . TRP V 4 11 ? 46.661 17.815 24.547 1.00 71.66 ? 21 TRP d CE2 1 +ATOM 36854 C CE3 . TRP V 4 11 ? 46.766 16.700 22.394 1.00 67.58 ? 21 TRP d CE3 1 +ATOM 36855 C CZ2 . TRP V 4 11 ? 45.861 18.832 24.039 1.00 77.28 ? 21 TRP d CZ2 1 +ATOM 36856 C CZ3 . TRP V 4 11 ? 45.975 17.711 21.887 1.00 72.48 ? 21 TRP d CZ3 1 +ATOM 36857 C CH2 . TRP V 4 11 ? 45.531 18.768 22.706 1.00 95.32 ? 21 TRP d CH2 1 +ATOM 36858 N N . LEU V 4 12 ? 46.638 13.123 22.182 1.00 71.09 ? 22 LEU d N 1 +ATOM 36859 C CA . LEU V 4 12 ? 45.513 13.159 21.245 1.00 71.50 ? 22 LEU d CA 1 +ATOM 36860 C C . LEU V 4 12 ? 44.359 12.274 21.701 1.00 72.41 ? 22 LEU d C 1 +ATOM 36861 O O . LEU V 4 12 ? 43.193 12.638 21.510 1.00 59.38 ? 22 LEU d O 1 +ATOM 36862 C CB . LEU V 4 12 ? 45.971 12.736 19.851 1.00 59.42 ? 22 LEU d CB 1 +ATOM 36863 C CG . LEU V 4 12 ? 46.911 13.732 19.198 1.00 74.79 ? 22 LEU d CG 1 +ATOM 36864 C CD1 . LEU V 4 12 ? 47.522 13.155 17.928 1.00 69.61 ? 22 LEU d CD1 1 +ATOM 36865 C CD2 . LEU V 4 12 ? 46.137 15.013 18.894 1.00 72.69 ? 22 LEU d CD2 1 +ATOM 36866 N N . LYS V 4 13 ? 44.660 11.131 22.322 1.00 61.66 ? 23 LYS d N 1 +ATOM 36867 C CA . LYS V 4 13 ? 43.658 10.139 22.695 1.00 68.68 ? 23 LYS d CA 1 +ATOM 36868 C C . LYS V 4 13 ? 43.245 10.195 24.162 1.00 68.75 ? 23 LYS d C 1 +ATOM 36869 O O . LYS V 4 13 ? 42.607 9.259 24.645 1.00 72.82 ? 23 LYS d O 1 +ATOM 36870 C CB . LYS V 4 13 ? 44.161 8.732 22.355 1.00 64.70 ? 23 LYS d CB 1 +ATOM 36871 C CG . LYS V 4 13 ? 44.249 8.457 20.872 1.00 69.78 ? 23 LYS d CG 1 +ATOM 36872 C CD . LYS V 4 13 ? 45.115 7.246 20.582 1.00 75.84 ? 23 LYS d CD 1 +ATOM 36873 C CE . LYS V 4 13 ? 45.018 6.902 19.103 1.00 90.14 ? 23 LYS d CE 1 +ATOM 36874 N NZ . LYS V 4 13 ? 45.859 5.755 18.718 1.00 82.44 ? 23 LYS d NZ 1 +ATOM 36875 N N . ARG V 4 14 ? 43.567 11.266 24.877 1.00 79.77 ? 24 ARG d N 1 +ATOM 36876 C CA . ARG V 4 14 ? 43.073 11.415 26.243 1.00 82.48 ? 24 ARG d CA 1 +ATOM 36877 C C . ARG V 4 14 ? 41.554 11.506 26.267 1.00 75.59 ? 24 ARG d C 1 +ATOM 36878 O O . ARG V 4 14 ? 40.931 12.055 25.357 1.00 79.27 ? 24 ARG d O 1 +ATOM 36879 C CB . ARG V 4 14 ? 43.668 12.663 26.884 1.00 82.37 ? 24 ARG d CB 1 +ATOM 36880 C CG . ARG V 4 14 ? 45.170 12.639 26.899 1.00 108.48 ? 24 ARG d CG 1 +ATOM 36881 C CD . ARG V 4 14 ? 45.705 11.926 28.119 1.00 96.16 ? 24 ARG d CD 1 +ATOM 36882 N NE . ARG V 4 14 ? 45.913 12.883 29.195 1.00 128.29 ? 24 ARG d NE 1 +ATOM 36883 C CZ . ARG V 4 14 ? 46.912 13.756 29.229 1.00 134.43 ? 24 ARG d CZ 1 +ATOM 36884 N NH1 . ARG V 4 14 ? 47.835 13.791 28.278 1.00 114.16 ? 24 ARG d NH1 1 +ATOM 36885 N NH2 . ARG V 4 14 ? 46.984 14.623 30.238 1.00 133.87 ? 24 ARG d NH2 1 +ATOM 36886 N N . ASP V 4 15 ? 40.959 10.964 27.318 1.00 74.52 ? 25 ASP d N 1 +ATOM 36887 C CA . ASP V 4 15 ? 39.513 11.010 27.501 1.00 78.19 ? 25 ASP d CA 1 +ATOM 36888 C C . ASP V 4 15 ? 39.139 12.390 28.022 1.00 80.38 ? 25 ASP d C 1 +ATOM 36889 O O . ASP V 4 15 ? 39.252 12.668 29.216 1.00 102.43 ? 25 ASP d O 1 +ATOM 36890 C CB . ASP V 4 15 ? 39.070 9.915 28.464 1.00 85.15 ? 25 ASP d CB 1 +ATOM 36891 C CG . ASP V 4 15 ? 37.704 9.345 28.122 1.00 96.59 ? 25 ASP d CG 1 +ATOM 36892 O OD1 . ASP V 4 15 ? 37.114 9.725 27.081 1.00 91.10 ? 25 ASP d OD1 1 +ATOM 36893 O OD2 . ASP V 4 15 ? 37.222 8.501 28.901 1.00 104.51 ? 25 ASP d OD2 1 +ATOM 36894 N N . ARG V 4 16 ? 38.695 13.265 27.135 1.00 77.62 ? 26 ARG d N 1 +ATOM 36895 C CA . ARG V 4 16 ? 38.264 14.604 27.504 1.00 64.61 ? 26 ARG d CA 1 +ATOM 36896 C C . ARG V 4 16 ? 36.826 14.806 27.040 1.00 73.09 ? 26 ARG d C 1 +ATOM 36897 O O . ARG V 4 16 ? 36.217 13.918 26.441 1.00 77.50 ? 26 ARG d O 1 +ATOM 36898 C CB . ARG V 4 16 ? 39.205 15.656 26.916 1.00 65.42 ? 26 ARG d CB 1 +ATOM 36899 C CG . ARG V 4 16 ? 39.898 15.226 25.642 1.00 69.37 ? 26 ARG d CG 1 +ATOM 36900 C CD . ARG V 4 16 ? 40.631 16.386 24.996 1.00 75.39 ? 26 ARG d CD 1 +ATOM 36901 N NE . ARG V 4 16 ? 41.929 16.640 25.606 1.00 65.54 ? 26 ARG d NE 1 +ATOM 36902 C CZ . ARG V 4 16 ? 43.062 16.067 25.228 1.00 80.75 ? 26 ARG d CZ 1 +ATOM 36903 N NH1 . ARG V 4 16 ? 43.095 15.181 24.244 1.00 73.75 ? 26 ARG d NH1 1 +ATOM 36904 N NH2 . ARG V 4 16 ? 44.191 16.393 25.849 1.00 73.78 ? 26 ARG d NH2 1 +ATOM 36905 N N . PHE V 4 17 ? 36.279 15.991 27.322 1.00 68.69 ? 27 PHE d N 1 +ATOM 36906 C CA . PHE V 4 17 ? 34.890 16.260 26.956 1.00 92.10 ? 27 PHE d CA 1 +ATOM 36907 C C . PHE V 4 17 ? 34.687 16.199 25.440 1.00 86.10 ? 27 PHE d C 1 +ATOM 36908 O O . PHE V 4 17 ? 33.670 15.682 24.963 1.00 67.25 ? 27 PHE d O 1 +ATOM 36909 C CB . PHE V 4 17 ? 34.447 17.616 27.508 1.00 71.20 ? 27 PHE d CB 1 +ATOM 36910 C CG . PHE V 4 17 ? 32.991 17.917 27.273 1.00 108.28 ? 27 PHE d CG 1 +ATOM 36911 C CD1 . PHE V 4 17 ? 32.012 17.346 28.072 1.00 92.37 ? 27 PHE d CD1 1 +ATOM 36912 C CD2 . PHE V 4 17 ? 32.600 18.768 26.246 1.00 101.11 ? 27 PHE d CD2 1 +ATOM 36913 C CE1 . PHE V 4 17 ? 30.668 17.620 27.851 1.00 115.27 ? 27 PHE d CE1 1 +ATOM 36914 C CE2 . PHE V 4 17 ? 31.259 19.044 26.023 1.00 100.53 ? 27 PHE d CE2 1 +ATOM 36915 C CZ . PHE V 4 17 ? 30.294 18.469 26.824 1.00 100.31 ? 27 PHE d CZ 1 +ATOM 36916 N N . VAL V 4 18 ? 35.633 16.731 24.672 1.00 74.72 ? 28 VAL d N 1 +ATOM 36917 C CA . VAL V 4 18 ? 35.640 16.609 23.220 1.00 64.43 ? 28 VAL d CA 1 +ATOM 36918 C C . VAL V 4 18 ? 36.854 15.765 22.864 1.00 72.34 ? 28 VAL d C 1 +ATOM 36919 O O . VAL V 4 18 ? 37.990 16.255 22.894 1.00 64.22 ? 28 VAL d O 1 +ATOM 36920 C CB . VAL V 4 18 ? 35.690 17.966 22.510 1.00 82.24 ? 28 VAL d CB 1 +ATOM 36921 C CG1 . VAL V 4 18 ? 35.759 17.756 21.000 1.00 81.83 ? 28 VAL d CG1 1 +ATOM 36922 C CG2 . VAL V 4 18 ? 34.487 18.844 22.890 1.00 92.46 ? 28 VAL d CG2 1 +ATOM 36923 N N . PHE V 4 19 ? 36.615 14.495 22.535 1.00 65.31 ? 29 PHE d N 1 +ATOM 36924 C CA . PHE V 4 19 ? 37.671 13.642 22.011 1.00 55.99 ? 29 PHE d CA 1 +ATOM 36925 C C . PHE V 4 19 ? 38.287 14.269 20.767 1.00 55.55 ? 29 PHE d C 1 +ATOM 36926 O O . PHE V 4 19 ? 37.578 14.792 19.905 1.00 56.43 ? 29 PHE d O 1 +ATOM 36927 C CB . PHE V 4 19 ? 37.109 12.254 21.684 1.00 62.37 ? 29 PHE d CB 1 +ATOM 36928 C CG . PHE V 4 19 ? 38.134 11.313 21.137 1.00 61.22 ? 29 PHE d CG 1 +ATOM 36929 C CD1 . PHE V 4 19 ? 38.912 10.550 21.993 1.00 67.74 ? 29 PHE d CD1 1 +ATOM 36930 C CD2 . PHE V 4 19 ? 38.330 11.197 19.772 1.00 63.23 ? 29 PHE d CD2 1 +ATOM 36931 C CE1 . PHE V 4 19 ? 39.870 9.693 21.498 1.00 65.28 ? 29 PHE d CE1 1 +ATOM 36932 C CE2 . PHE V 4 19 ? 39.289 10.338 19.268 1.00 56.42 ? 29 PHE d CE2 1 +ATOM 36933 C CZ . PHE V 4 19 ? 40.059 9.595 20.124 1.00 71.49 ? 29 PHE d CZ 1 +ATOM 36934 N N . VAL V 4 20 ? 39.616 14.219 20.670 1.00 62.02 ? 30 VAL d N 1 +ATOM 36935 C CA . VAL V 4 20 ? 40.309 14.814 19.530 1.00 58.13 ? 30 VAL d CA 1 +ATOM 36936 C C . VAL V 4 20 ? 40.764 13.715 18.572 1.00 71.50 ? 30 VAL d C 1 +ATOM 36937 O O . VAL V 4 20 ? 40.292 13.638 17.434 1.00 66.40 ? 30 VAL d O 1 +ATOM 36938 C CB . VAL V 4 20 ? 41.506 15.682 19.971 1.00 62.25 ? 30 VAL d CB 1 +ATOM 36939 C CG1 . VAL V 4 20 ? 42.182 16.306 18.751 1.00 58.99 ? 30 VAL d CG1 1 +ATOM 36940 C CG2 . VAL V 4 20 ? 41.061 16.785 20.925 1.00 66.72 ? 30 VAL d CG2 1 +ATOM 36941 N N . GLY V 4 21 ? 41.704 12.878 19.013 1.00 62.09 ? 31 GLY d N 1 +ATOM 36942 C CA . GLY V 4 21 ? 42.268 11.842 18.170 1.00 53.20 ? 31 GLY d CA 1 +ATOM 36943 C C . GLY V 4 21 ? 43.126 12.376 17.037 1.00 59.98 ? 31 GLY d C 1 +ATOM 36944 O O . GLY V 4 21 ? 43.142 13.581 16.778 1.00 58.43 ? 31 GLY d O 1 +ATOM 36945 N N . TRP V 4 22 ? 43.874 11.488 16.380 1.00 53.48 ? 32 TRP d N 1 +ATOM 36946 C CA . TRP V 4 22 ? 44.573 11.860 15.156 1.00 56.64 ? 32 TRP d CA 1 +ATOM 36947 C C . TRP V 4 22 ? 43.603 12.354 14.092 1.00 61.38 ? 32 TRP d C 1 +ATOM 36948 O O . TRP V 4 22 ? 43.913 13.293 13.349 1.00 60.26 ? 32 TRP d O 1 +ATOM 36949 C CB . TRP V 4 22 ? 45.363 10.669 14.615 1.00 55.10 ? 32 TRP d CB 1 +ATOM 36950 C CG . TRP V 4 22 ? 46.551 10.299 15.424 1.00 58.42 ? 32 TRP d CG 1 +ATOM 36951 C CD1 . TRP V 4 22 ? 46.626 9.321 16.370 1.00 61.58 ? 32 TRP d CD1 1 +ATOM 36952 C CD2 . TRP V 4 22 ? 47.850 10.898 15.356 1.00 56.16 ? 32 TRP d CD2 1 +ATOM 36953 N NE1 . TRP V 4 22 ? 47.895 9.271 16.902 1.00 65.32 ? 32 TRP d NE1 1 +ATOM 36954 C CE2 . TRP V 4 22 ? 48.667 10.229 16.291 1.00 74.35 ? 32 TRP d CE2 1 +ATOM 36955 C CE3 . TRP V 4 22 ? 48.400 11.943 14.602 1.00 61.46 ? 32 TRP d CE3 1 +ATOM 36956 C CZ2 . TRP V 4 22 ? 50.009 10.568 16.489 1.00 59.57 ? 32 TRP d CZ2 1 +ATOM 36957 C CZ3 . TRP V 4 22 ? 49.729 12.279 14.800 1.00 70.27 ? 32 TRP d CZ3 1 +ATOM 36958 C CH2 . TRP V 4 22 ? 50.518 11.594 15.739 1.00 68.95 ? 32 TRP d CH2 1 +ATOM 36959 N N . SER V 4 23 ? 42.431 11.718 13.994 1.00 56.91 ? 33 SER d N 1 +ATOM 36960 C CA . SER V 4 23 ? 41.408 12.151 13.046 1.00 61.62 ? 33 SER d CA 1 +ATOM 36961 C C . SER V 4 23 ? 41.055 13.624 13.228 1.00 59.03 ? 33 SER d C 1 +ATOM 36962 O O . SER V 4 23 ? 40.794 14.330 12.236 1.00 58.27 ? 33 SER d O 1 +ATOM 36963 C CB . SER V 4 23 ? 40.152 11.278 13.195 1.00 61.13 ? 33 SER d CB 1 +ATOM 36964 O OG . SER V 4 23 ? 39.517 11.458 14.459 1.00 57.85 ? 33 SER d OG 1 +ATOM 36965 N N . GLY V 4 24 ? 41.062 14.107 14.476 1.00 55.92 ? 34 GLY d N 1 +ATOM 36966 C CA . GLY V 4 24 ? 40.675 15.488 14.740 1.00 59.06 ? 34 GLY d CA 1 +ATOM 36967 C C . GLY V 4 24 ? 41.569 16.519 14.071 1.00 59.31 ? 34 GLY d C 1 +ATOM 36968 O O . GLY V 4 24 ? 41.128 17.630 13.776 1.00 59.03 ? 34 GLY d O 1 +ATOM 36969 N N . ILE V 4 25 ? 42.828 16.167 13.811 1.00 62.63 ? 35 ILE d N 1 +ATOM 36970 C CA . ILE V 4 25 ? 43.730 17.092 13.129 1.00 55.75 ? 35 ILE d CA 1 +ATOM 36971 C C . ILE V 4 25 ? 43.180 17.461 11.762 1.00 62.96 ? 35 ILE d C 1 +ATOM 36972 O O . ILE V 4 25 ? 43.316 18.602 11.306 1.00 63.60 ? 35 ILE d O 1 +ATOM 36973 C CB . ILE V 4 25 ? 45.142 16.478 13.044 1.00 66.89 ? 35 ILE d CB 1 +ATOM 36974 C CG1 . ILE V 4 25 ? 45.758 16.380 14.447 1.00 66.80 ? 35 ILE d CG1 1 +ATOM 36975 C CG2 . ILE V 4 25 ? 46.019 17.259 12.088 1.00 64.20 ? 35 ILE d CG2 1 +ATOM 36976 C CD1 . ILE V 4 25 ? 46.912 15.400 14.544 1.00 67.39 ? 35 ILE d CD1 1 +ATOM 36977 N N . LEU V 4 26 ? 42.548 16.503 11.085 1.00 69.82 ? 36 LEU d N 1 +ATOM 36978 C CA . LEU V 4 26 ? 41.875 16.763 9.820 1.00 60.71 ? 36 LEU d CA 1 +ATOM 36979 C C . LEU V 4 26 ? 40.444 17.252 10.037 1.00 59.12 ? 36 LEU d C 1 +ATOM 36980 O O . LEU V 4 26 ? 40.030 18.244 9.432 1.00 56.01 ? 36 LEU d O 1 +ATOM 36981 C CB . LEU V 4 26 ? 41.885 15.498 8.954 1.00 75.53 ? 36 LEU d CB 1 +ATOM 36982 C CG . LEU V 4 26 ? 41.230 15.525 7.570 1.00 69.70 ? 36 LEU d CG 1 +ATOM 36983 C CD1 . LEU V 4 26 ? 41.968 16.465 6.624 1.00 59.34 ? 36 LEU d CD1 1 +ATOM 36984 C CD2 . LEU V 4 26 ? 41.181 14.108 6.980 1.00 64.47 ? 36 LEU d CD2 1 +ATOM 36985 N N . LEU V 4 27 ? 39.690 16.586 10.916 1.00 52.38 ? 37 LEU d N 1 +ATOM 36986 C CA . LEU V 4 27 ? 38.261 16.872 11.034 1.00 53.87 ? 37 LEU d CA 1 +ATOM 36987 C C . LEU V 4 27 ? 37.994 18.311 11.464 1.00 61.82 ? 37 LEU d C 1 +ATOM 36988 O O . LEU V 4 27 ? 37.172 19.012 10.857 1.00 55.96 ? 37 LEU d O 1 +ATOM 36989 C CB . LEU V 4 27 ? 37.621 15.913 12.036 1.00 57.14 ? 37 LEU d CB 1 +ATOM 36990 C CG . LEU V 4 27 ? 36.198 16.273 12.478 1.00 61.51 ? 37 LEU d CG 1 +ATOM 36991 C CD1 . LEU V 4 27 ? 35.227 16.409 11.282 1.00 50.19 ? 37 LEU d CD1 1 +ATOM 36992 C CD2 . LEU V 4 27 ? 35.707 15.224 13.474 1.00 52.16 ? 37 LEU d CD2 1 +ATOM 36993 N N . PHE V 4 28 ? 38.650 18.758 12.544 1.00 54.98 ? 38 PHE d N 1 +ATOM 36994 C CA . PHE V 4 28 ? 38.194 19.981 13.202 1.00 60.31 ? 38 PHE d CA 1 +ATOM 36995 C C . PHE V 4 28 ? 38.453 21.210 12.354 1.00 58.93 ? 38 PHE d C 1 +ATOM 36996 O O . PHE V 4 28 ? 37.515 22.004 12.157 1.00 56.00 ? 38 PHE d O 1 +ATOM 36997 C CB . PHE V 4 28 ? 38.815 20.091 14.600 1.00 76.37 ? 38 PHE d CB 1 +ATOM 36998 C CG . PHE V 4 28 ? 38.212 19.140 15.588 1.00 75.79 ? 38 PHE d CG 1 +ATOM 36999 C CD1 . PHE V 4 28 ? 36.838 19.094 15.766 1.00 79.13 ? 38 PHE d CD1 1 +ATOM 37000 C CD2 . PHE V 4 28 ? 39.000 18.258 16.293 1.00 77.60 ? 38 PHE d CD2 1 +ATOM 37001 C CE1 . PHE V 4 28 ? 36.266 18.207 16.662 1.00 73.91 ? 38 PHE d CE1 1 +ATOM 37002 C CE2 . PHE V 4 28 ? 38.437 17.377 17.183 1.00 73.55 ? 38 PHE d CE2 1 +ATOM 37003 C CZ . PHE V 4 28 ? 37.068 17.351 17.368 1.00 75.01 ? 38 PHE d CZ 1 +ATOM 37004 N N . PRO V 4 29 ? 39.655 21.433 11.814 1.00 60.71 ? 39 PRO d N 1 +ATOM 37005 C CA . PRO V 4 29 ? 39.826 22.619 10.968 1.00 55.24 ? 39 PRO d CA 1 +ATOM 37006 C C . PRO V 4 29 ? 38.924 22.602 9.747 1.00 61.68 ? 39 PRO d C 1 +ATOM 37007 O O . PRO V 4 29 ? 38.320 23.635 9.431 1.00 58.46 ? 39 PRO d O 1 +ATOM 37008 C CB . PRO V 4 29 ? 41.320 22.592 10.605 1.00 65.82 ? 39 PRO d CB 1 +ATOM 37009 C CG . PRO V 4 29 ? 41.797 21.236 10.974 1.00 71.40 ? 39 PRO d CG 1 +ATOM 37010 C CD . PRO V 4 29 ? 40.927 20.723 12.046 1.00 56.59 ? 39 PRO d CD 1 +ATOM 37011 N N . CYS V 4 30 ? 38.789 21.459 9.060 1.00 58.41 ? 40 CYS d N 1 +ATOM 37012 C CA . CYS V 4 30 ? 38.010 21.442 7.817 1.00 58.94 ? 40 CYS d CA 1 +ATOM 37013 C C . CYS V 4 30 ? 36.514 21.604 8.089 1.00 52.89 ? 40 CYS d C 1 +ATOM 37014 O O . CYS V 4 30 ? 35.819 22.309 7.350 1.00 54.33 ? 40 CYS d O 1 +ATOM 37015 C CB . CYS V 4 30 ? 38.291 20.159 7.033 1.00 53.66 ? 40 CYS d CB 1 +ATOM 37016 S SG . CYS V 4 30 ? 39.944 20.109 6.310 1.00 63.45 ? 40 CYS d SG 1 +ATOM 37017 N N . ALA V 4 31 ? 36.007 20.972 9.152 1.00 54.89 ? 41 ALA d N 1 +ATOM 37018 C CA . ALA V 4 31 ? 34.606 21.161 9.524 1.00 68.25 ? 41 ALA d CA 1 +ATOM 37019 C C . ALA V 4 31 ? 34.334 22.603 9.952 1.00 66.26 ? 41 ALA d C 1 +ATOM 37020 O O . ALA V 4 31 ? 33.302 23.186 9.587 1.00 63.24 ? 41 ALA d O 1 +ATOM 37021 C CB . ALA V 4 31 ? 34.210 20.183 10.639 1.00 50.12 ? 41 ALA d CB 1 +ATOM 37022 N N . TYR V 4 32 ? 35.249 23.199 10.724 1.00 63.82 ? 42 TYR d N 1 +ATOM 37023 C CA . TYR V 4 32 ? 35.035 24.566 11.195 1.00 52.13 ? 42 TYR d CA 1 +ATOM 37024 C C . TYR V 4 32 ? 35.040 25.540 10.029 1.00 55.15 ? 42 TYR d C 1 +ATOM 37025 O O . TYR V 4 32 ? 34.154 26.397 9.920 1.00 53.05 ? 42 TYR d O 1 +ATOM 37026 C CB . TYR V 4 32 ? 36.099 24.944 12.237 1.00 60.79 ? 42 TYR d CB 1 +ATOM 37027 C CG . TYR V 4 32 ? 35.937 26.328 12.855 1.00 61.39 ? 42 TYR d CG 1 +ATOM 37028 C CD1 . TYR V 4 32 ? 34.826 26.636 13.630 1.00 72.80 ? 42 TYR d CD1 1 +ATOM 37029 C CD2 . TYR V 4 32 ? 36.900 27.315 12.675 1.00 50.09 ? 42 TYR d CD2 1 +ATOM 37030 C CE1 . TYR V 4 32 ? 34.673 27.901 14.213 1.00 63.74 ? 42 TYR d CE1 1 +ATOM 37031 C CE2 . TYR V 4 32 ? 36.757 28.570 13.247 1.00 58.78 ? 42 TYR d CE2 1 +ATOM 37032 C CZ . TYR V 4 32 ? 35.644 28.857 14.015 1.00 60.02 ? 42 TYR d CZ 1 +ATOM 37033 O OH . TYR V 4 32 ? 35.491 30.106 14.572 1.00 65.41 ? 42 TYR d OH 1 +ATOM 37034 N N . LEU V 4 33 ? 36.017 25.400 9.125 1.00 51.11 ? 43 LEU d N 1 +ATOM 37035 C CA . LEU V 4 33 ? 36.096 26.293 7.976 1.00 61.13 ? 43 LEU d CA 1 +ATOM 37036 C C . LEU V 4 33 ? 34.914 26.118 7.033 1.00 69.52 ? 43 LEU d C 1 +ATOM 37037 O O . LEU V 4 33 ? 34.506 27.082 6.373 1.00 66.03 ? 43 LEU d O 1 +ATOM 37038 C CB . LEU V 4 33 ? 37.395 26.065 7.207 1.00 54.98 ? 43 LEU d CB 1 +ATOM 37039 C CG . LEU V 4 33 ? 38.682 26.412 7.942 1.00 64.57 ? 43 LEU d CG 1 +ATOM 37040 C CD1 . LEU V 4 33 ? 39.879 26.337 7.030 1.00 58.21 ? 43 LEU d CD1 1 +ATOM 37041 C CD2 . LEU V 4 33 ? 38.562 27.786 8.534 1.00 68.36 ? 43 LEU d CD2 1 +ATOM 37042 N N . ALA V 4 34 ? 34.379 24.900 6.924 1.00 58.56 ? 44 ALA d N 1 +ATOM 37043 C CA . ALA V 4 34 ? 33.239 24.683 6.041 1.00 59.75 ? 44 ALA d CA 1 +ATOM 37044 C C . ALA V 4 34 ? 31.994 25.353 6.597 1.00 55.83 ? 44 ALA d C 1 +ATOM 37045 O O . ALA V 4 34 ? 31.269 26.042 5.870 1.00 55.20 ? 44 ALA d O 1 +ATOM 37046 C CB . ALA V 4 34 ? 33.003 23.182 5.839 1.00 59.22 ? 44 ALA d CB 1 +ATOM 37047 N N . LEU V 4 35 ? 31.732 25.165 7.891 1.00 45.03 ? 45 LEU d N 1 +ATOM 37048 C CA . LEU V 4 35 ? 30.593 25.834 8.502 1.00 54.76 ? 45 LEU d CA 1 +ATOM 37049 C C . LEU V 4 35 ? 30.812 27.346 8.564 1.00 59.10 ? 45 LEU d C 1 +ATOM 37050 O O . LEU V 4 35 ? 29.887 28.125 8.301 1.00 62.41 ? 45 LEU d O 1 +ATOM 37051 C CB . LEU V 4 35 ? 30.347 25.248 9.894 1.00 58.55 ? 45 LEU d CB 1 +ATOM 37052 C CG . LEU V 4 35 ? 29.145 25.820 10.647 1.00 73.63 ? 45 LEU d CG 1 +ATOM 37053 C CD1 . LEU V 4 35 ? 27.826 25.315 10.053 1.00 74.92 ? 45 LEU d CD1 1 +ATOM 37054 C CD2 . LEU V 4 35 ? 29.236 25.496 12.138 1.00 78.04 ? 45 LEU d CD2 1 +ATOM 37055 N N . GLY V 4 36 ? 32.041 27.778 8.863 1.00 57.14 ? 46 GLY d N 1 +ATOM 37056 C CA . GLY V 4 36 ? 32.326 29.206 8.925 1.00 55.43 ? 46 GLY d CA 1 +ATOM 37057 C C . GLY V 4 36 ? 32.160 29.888 7.582 1.00 61.26 ? 46 GLY d C 1 +ATOM 37058 O O . GLY V 4 36 ? 31.644 31.013 7.502 1.00 59.35 ? 46 GLY d O 1 +ATOM 37059 N N . GLY V 4 37 ? 32.572 29.206 6.504 1.00 60.96 ? 47 GLY d N 1 +ATOM 37060 C CA . GLY V 4 37 ? 32.403 29.766 5.165 1.00 56.81 ? 47 GLY d CA 1 +ATOM 37061 C C . GLY V 4 37 ? 30.947 29.925 4.763 1.00 54.93 ? 47 GLY d C 1 +ATOM 37062 O O . GLY V 4 37 ? 30.576 30.897 4.104 1.00 59.17 ? 47 GLY d O 1 +ATOM 37063 N N . TRP V 4 38 ? 30.100 28.971 5.150 1.00 58.43 ? 48 TRP d N 1 +ATOM 37064 C CA . TRP V 4 38 ? 28.691 29.071 4.788 1.00 57.47 ? 48 TRP d CA 1 +ATOM 37065 C C . TRP V 4 38 ? 28.013 30.194 5.563 1.00 59.93 ? 48 TRP d C 1 +ATOM 37066 O O . TRP V 4 38 ? 27.193 30.944 5.010 1.00 55.19 ? 48 TRP d O 1 +ATOM 37067 C CB . TRP V 4 38 ? 27.982 27.732 5.037 1.00 51.99 ? 48 TRP d CB 1 +ATOM 37068 C CG . TRP V 4 38 ? 26.570 27.790 4.608 1.00 49.63 ? 48 TRP d CG 1 +ATOM 37069 C CD1 . TRP V 4 38 ? 26.105 27.804 3.316 1.00 48.18 ? 48 TRP d CD1 1 +ATOM 37070 C CD2 . TRP V 4 38 ? 25.427 27.897 5.448 1.00 49.56 ? 48 TRP d CD2 1 +ATOM 37071 N NE1 . TRP V 4 38 ? 24.733 27.904 3.308 1.00 55.05 ? 48 TRP d NE1 1 +ATOM 37072 C CE2 . TRP V 4 38 ? 24.291 27.963 4.604 1.00 51.67 ? 48 TRP d CE2 1 +ATOM 37073 C CE3 . TRP V 4 38 ? 25.246 27.925 6.830 1.00 53.99 ? 48 TRP d CE3 1 +ATOM 37074 C CZ2 . TRP V 4 38 ? 22.995 28.057 5.099 1.00 48.56 ? 48 TRP d CZ2 1 +ATOM 37075 C CZ3 . TRP V 4 38 ? 23.948 28.027 7.328 1.00 53.62 ? 48 TRP d CZ3 1 +ATOM 37076 C CH2 . TRP V 4 38 ? 22.841 28.088 6.462 1.00 55.21 ? 48 TRP d CH2 1 +ATOM 37077 N N . LEU V 4 39 ? 28.331 30.307 6.858 1.00 54.50 ? 49 LEU d N 1 +ATOM 37078 C CA . LEU V 4 39 ? 27.791 31.398 7.661 1.00 55.67 ? 49 LEU d CA 1 +ATOM 37079 C C . LEU V 4 39 ? 28.318 32.747 7.184 1.00 50.79 ? 49 LEU d C 1 +ATOM 37080 O O . LEU V 4 39 ? 27.555 33.707 7.054 1.00 58.57 ? 49 LEU d O 1 +ATOM 37081 C CB . LEU V 4 39 ? 28.114 31.154 9.139 1.00 51.90 ? 49 LEU d CB 1 +ATOM 37082 C CG . LEU V 4 39 ? 27.388 29.924 9.705 1.00 60.60 ? 49 LEU d CG 1 +ATOM 37083 C CD1 . LEU V 4 39 ? 27.969 29.468 11.043 1.00 56.27 ? 49 LEU d CD1 1 +ATOM 37084 C CD2 . LEU V 4 39 ? 25.893 30.198 9.818 1.00 51.86 ? 49 LEU d CD2 1 +ATOM 37085 N N . THR V 4 40 ? 29.618 32.837 6.904 1.00 54.65 ? 50 THR d N 1 +ATOM 37086 C CA . THR V 4 40 ? 30.178 34.075 6.375 1.00 46.31 ? 50 THR d CA 1 +ATOM 37087 C C . THR V 4 40 ? 29.540 34.441 5.037 1.00 60.11 ? 50 THR d C 1 +ATOM 37088 O O . THR V 4 40 ? 29.141 35.591 4.818 1.00 55.86 ? 50 THR d O 1 +ATOM 37089 C CB . THR V 4 40 ? 31.690 33.929 6.210 1.00 62.86 ? 50 THR d CB 1 +ATOM 37090 O OG1 . THR V 4 40 ? 32.292 33.619 7.476 1.00 61.83 ? 50 THR d OG1 1 +ATOM 37091 C CG2 . THR V 4 40 ? 32.293 35.207 5.616 1.00 54.70 ? 50 THR d CG2 1 +ATOM 37092 N N . GLY V 4 41 ? 29.438 33.468 4.127 1.00 55.47 ? 51 GLY d N 1 +ATOM 37093 C CA . GLY V 4 41 ? 28.902 33.757 2.808 1.00 50.93 ? 51 GLY d CA 1 +ATOM 37094 C C . GLY V 4 41 ? 27.427 34.124 2.837 1.00 59.41 ? 51 GLY d C 1 +ATOM 37095 O O . GLY V 4 41 ? 27.010 35.097 2.203 1.00 58.94 ? 51 GLY d O 1 +ATOM 37096 N N . THR V 4 42 ? 26.608 33.334 3.548 1.00 51.66 ? 52 THR d N 1 +ATOM 37097 C CA . THR V 4 42 ? 25.183 33.655 3.592 1.00 62.25 ? 52 THR d CA 1 +ATOM 37098 C C . THR V 4 42 ? 24.916 34.980 4.298 1.00 58.81 ? 52 THR d C 1 +ATOM 37099 O O . THR V 4 42 ? 23.873 35.600 4.063 1.00 56.42 ? 52 THR d O 1 +ATOM 37100 C CB . THR V 4 42 ? 24.363 32.543 4.280 1.00 56.75 ? 52 THR d CB 1 +ATOM 37101 O OG1 . THR V 4 42 ? 24.892 32.253 5.587 1.00 51.01 ? 52 THR d OG1 1 +ATOM 37102 C CG2 . THR V 4 42 ? 24.349 31.256 3.417 1.00 51.11 ? 52 THR d CG2 1 +ATOM 37103 N N . THR V 4 43 ? 25.824 35.423 5.162 1.00 63.59 ? 53 THR d N 1 +ATOM 37104 C CA . THR V 4 43 ? 25.582 36.667 5.882 1.00 59.03 ? 53 THR d CA 1 +ATOM 37105 C C . THR V 4 43 ? 25.996 37.885 5.068 1.00 58.15 ? 53 THR d C 1 +ATOM 37106 O O . THR V 4 43 ? 25.258 38.875 5.023 1.00 57.84 ? 53 THR d O 1 +ATOM 37107 C CB . THR V 4 43 ? 26.310 36.623 7.217 1.00 61.66 ? 53 THR d CB 1 +ATOM 37108 O OG1 . THR V 4 43 ? 25.700 35.604 8.010 1.00 58.30 ? 53 THR d OG1 1 +ATOM 37109 C CG2 . THR V 4 43 ? 26.196 37.951 7.940 1.00 59.08 ? 53 THR d CG2 1 +ATOM 37110 N N . PHE V 4 44 ? 27.125 37.809 4.362 1.00 49.23 ? 54 PHE d N 1 +ATOM 37111 C CA . PHE V 4 44 ? 27.745 38.990 3.792 1.00 55.81 ? 54 PHE d CA 1 +ATOM 37112 C C . PHE V 4 44 ? 27.957 38.984 2.276 1.00 69.53 ? 54 PHE d C 1 +ATOM 37113 O O . PHE V 4 44 ? 28.179 40.067 1.719 1.00 58.17 ? 54 PHE d O 1 +ATOM 37114 C CB . PHE V 4 44 ? 29.118 39.226 4.448 1.00 60.43 ? 54 PHE d CB 1 +ATOM 37115 C CG . PHE V 4 44 ? 29.051 39.515 5.918 1.00 64.44 ? 54 PHE d CG 1 +ATOM 37116 C CD1 . PHE V 4 44 ? 28.450 40.684 6.390 1.00 64.95 ? 54 PHE d CD1 1 +ATOM 37117 C CD2 . PHE V 4 44 ? 29.616 38.640 6.835 1.00 62.46 ? 54 PHE d CD2 1 +ATOM 37118 C CE1 . PHE V 4 44 ? 28.406 40.962 7.753 1.00 62.59 ? 54 PHE d CE1 1 +ATOM 37119 C CE2 . PHE V 4 44 ? 29.573 38.909 8.192 1.00 62.59 ? 54 PHE d CE2 1 +ATOM 37120 C CZ . PHE V 4 44 ? 28.969 40.076 8.654 1.00 65.96 ? 54 PHE d CZ 1 +ATOM 37121 N N . VAL V 4 45 ? 27.939 37.830 1.591 1.00 60.09 ? 55 VAL d N 1 +ATOM 37122 C CA . VAL V 4 45 ? 28.475 37.750 0.233 1.00 60.89 ? 55 VAL d CA 1 +ATOM 37123 C C . VAL V 4 45 ? 27.345 37.634 -0.791 1.00 62.05 ? 55 VAL d C 1 +ATOM 37124 O O . VAL V 4 45 ? 26.322 36.980 -0.548 1.00 63.59 ? 55 VAL d O 1 +ATOM 37125 C CB . VAL V 4 45 ? 29.482 36.592 0.118 1.00 63.09 ? 55 VAL d CB 1 +ATOM 37126 C CG1 . VAL V 4 45 ? 29.974 36.422 -1.313 1.00 50.62 ? 55 VAL d CG1 1 +ATOM 37127 C CG2 . VAL V 4 45 ? 30.661 36.849 1.069 1.00 55.85 ? 55 VAL d CG2 1 +ATOM 37128 N N . THR V 4 46 ? 27.532 38.291 -1.931 1.00 55.59 ? 56 THR d N 1 +ATOM 37129 C CA . THR V 4 46 ? 26.564 38.390 -3.016 1.00 59.37 ? 56 THR d CA 1 +ATOM 37130 C C . THR V 4 46 ? 26.772 37.257 -4.031 1.00 61.42 ? 56 THR d C 1 +ATOM 37131 O O . THR V 4 46 ? 27.775 36.539 -4.020 1.00 55.81 ? 56 THR d O 1 +ATOM 37132 C CB . THR V 4 46 ? 26.683 39.771 -3.702 1.00 62.96 ? 56 THR d CB 1 +ATOM 37133 O OG1 . THR V 4 46 ? 25.607 39.988 -4.624 1.00 58.97 ? 56 THR d OG1 1 +ATOM 37134 C CG2 . THR V 4 46 ? 28.035 39.924 -4.446 1.00 47.48 ? 56 THR d CG2 1 +ATOM 37135 N N . SER V 4 47 ? 25.804 37.108 -4.928 1.00 53.16 ? 57 SER d N 1 +ATOM 37136 C CA . SER V 4 47 ? 25.971 36.246 -6.084 1.00 52.58 ? 57 SER d CA 1 +ATOM 37137 C C . SER V 4 47 ? 25.686 37.033 -7.360 1.00 65.90 ? 57 SER d C 1 +ATOM 37138 O O . SER V 4 47 ? 25.215 36.478 -8.364 1.00 57.56 ? 57 SER d O 1 +ATOM 37139 C CB . SER V 4 47 ? 25.075 35.016 -5.970 1.00 56.55 ? 57 SER d CB 1 +ATOM 37140 O OG . SER V 4 47 ? 25.305 34.318 -4.750 1.00 53.56 ? 57 SER d OG 1 +ATOM 37141 N N . TRP V 4 48 ? 25.956 38.344 -7.315 1.00 55.76 ? 58 TRP d N 1 +ATOM 37142 C CA . TRP V 4 48 ? 25.583 39.253 -8.393 1.00 53.73 ? 58 TRP d CA 1 +ATOM 37143 C C . TRP V 4 48 ? 26.464 39.061 -9.623 1.00 54.29 ? 58 TRP d C 1 +ATOM 37144 O O . TRP V 4 48 ? 25.960 39.073 -10.750 1.00 56.37 ? 58 TRP d O 1 +ATOM 37145 C CB . TRP V 4 48 ? 25.655 40.707 -7.880 1.00 55.28 ? 58 TRP d CB 1 +ATOM 37146 C CG . TRP V 4 48 ? 25.107 41.769 -8.804 1.00 65.52 ? 58 TRP d CG 1 +ATOM 37147 C CD1 . TRP V 4 48 ? 25.785 42.855 -9.315 1.00 57.88 ? 58 TRP d CD1 1 +ATOM 37148 C CD2 . TRP V 4 48 ? 23.763 41.872 -9.304 1.00 63.85 ? 58 TRP d CD2 1 +ATOM 37149 N NE1 . TRP V 4 48 ? 24.950 43.606 -10.101 1.00 56.89 ? 58 TRP d NE1 1 +ATOM 37150 C CE2 . TRP V 4 48 ? 23.706 43.036 -10.114 1.00 65.46 ? 58 TRP d CE2 1 +ATOM 37151 C CE3 . TRP V 4 48 ? 22.607 41.095 -9.153 1.00 53.25 ? 58 TRP d CE3 1 +ATOM 37152 C CZ2 . TRP V 4 48 ? 22.537 43.438 -10.775 1.00 61.70 ? 58 TRP d CZ2 1 +ATOM 37153 C CZ3 . TRP V 4 48 ? 21.450 41.486 -9.818 1.00 58.72 ? 58 TRP d CZ3 1 +ATOM 37154 C CH2 . TRP V 4 48 ? 21.422 42.648 -10.618 1.00 66.94 ? 58 TRP d CH2 1 +ATOM 37155 N N . TYR V 4 49 ? 27.775 38.874 -9.436 1.00 52.90 ? 59 TYR d N 1 +ATOM 37156 C CA . TYR V 4 49 ? 28.667 38.778 -10.592 1.00 57.18 ? 59 TYR d CA 1 +ATOM 37157 C C . TYR V 4 49 ? 28.697 37.386 -11.212 1.00 62.69 ? 59 TYR d C 1 +ATOM 37158 O O . TYR V 4 49 ? 29.156 37.243 -12.352 1.00 65.85 ? 59 TYR d O 1 +ATOM 37159 C CB . TYR V 4 49 ? 30.086 39.207 -10.193 1.00 62.28 ? 59 TYR d CB 1 +ATOM 37160 C CG . TYR V 4 49 ? 30.087 40.597 -9.607 1.00 71.04 ? 59 TYR d CG 1 +ATOM 37161 C CD1 . TYR V 4 49 ? 29.892 41.708 -10.425 1.00 67.32 ? 59 TYR d CD1 1 +ATOM 37162 C CD2 . TYR V 4 49 ? 30.222 40.801 -8.235 1.00 74.35 ? 59 TYR d CD2 1 +ATOM 37163 C CE1 . TYR V 4 49 ? 29.861 42.980 -9.908 1.00 68.47 ? 59 TYR d CE1 1 +ATOM 37164 C CE2 . TYR V 4 49 ? 30.196 42.074 -7.702 1.00 80.83 ? 59 TYR d CE2 1 +ATOM 37165 C CZ . TYR V 4 49 ? 30.012 43.166 -8.548 1.00 80.01 ? 59 TYR d CZ 1 +ATOM 37166 O OH . TYR V 4 49 ? 29.976 44.449 -8.030 1.00 86.21 ? 59 TYR d OH 1 +ATOM 37167 N N . THR V 4 50 ? 28.220 36.369 -10.492 1.00 56.98 ? 60 THR d N 1 +ATOM 37168 C CA . THR V 4 50 ? 28.251 34.988 -10.950 1.00 52.89 ? 60 THR d CA 1 +ATOM 37169 C C . THR V 4 50 ? 26.896 34.480 -11.414 1.00 52.53 ? 60 THR d C 1 +ATOM 37170 O O . THR V 4 50 ? 26.843 33.647 -12.320 1.00 58.88 ? 60 THR d O 1 +ATOM 37171 C CB . THR V 4 50 ? 28.769 34.069 -9.835 1.00 58.79 ? 60 THR d CB 1 +ATOM 37172 O OG1 . THR V 4 50 ? 27.897 34.153 -8.697 1.00 57.33 ? 60 THR d OG1 1 +ATOM 37173 C CG2 . THR V 4 50 ? 30.176 34.448 -9.415 1.00 50.82 ? 60 THR d CG2 1 +ATOM 37174 N N . HIS V 4 51 ? 25.811 34.989 -10.831 1.00 58.43 ? 61 HIS d N 1 +ATOM 37175 C CA . HIS V 4 51 ? 24.458 34.501 -11.068 1.00 52.42 ? 61 HIS d CA 1 +ATOM 37176 C C . HIS V 4 51 ? 23.445 35.591 -11.360 1.00 55.88 ? 61 HIS d C 1 +ATOM 37177 O O . HIS V 4 51 ? 22.338 35.269 -11.798 1.00 57.12 ? 61 HIS d O 1 +ATOM 37178 C CB . HIS V 4 51 ? 23.950 33.724 -9.842 1.00 50.91 ? 61 HIS d CB 1 +ATOM 37179 C CG . HIS V 4 51 ? 24.567 32.368 -9.698 1.00 62.96 ? 61 HIS d CG 1 +ATOM 37180 N ND1 . HIS V 4 51 ? 23.867 31.208 -9.941 1.00 56.31 ? 61 HIS d ND1 1 +ATOM 37181 C CD2 . HIS V 4 51 ? 25.823 31.990 -9.355 1.00 53.83 ? 61 HIS d CD2 1 +ATOM 37182 C CE1 . HIS V 4 51 ? 24.661 30.170 -9.734 1.00 60.79 ? 61 HIS d CE1 1 +ATOM 37183 N NE2 . HIS V 4 51 ? 25.854 30.619 -9.385 1.00 59.37 ? 61 HIS d NE2 1 +ATOM 37184 N N . GLY V 4 52 ? 23.759 36.852 -11.090 1.00 58.29 ? 62 GLY d N 1 +ATOM 37185 C CA . GLY V 4 52 ? 22.752 37.890 -11.137 1.00 51.60 ? 62 GLY d CA 1 +ATOM 37186 C C . GLY V 4 52 ? 21.777 37.825 -9.988 1.00 61.31 ? 62 GLY d C 1 +ATOM 37187 O O . GLY V 4 52 ? 20.622 38.232 -10.142 1.00 60.72 ? 62 GLY d O 1 +ATOM 37188 N N . LEU V 4 53 ? 22.212 37.325 -8.826 1.00 54.17 ? 63 LEU d N 1 +ATOM 37189 C CA . LEU V 4 53 ? 21.332 37.136 -7.681 1.00 57.50 ? 63 LEU d CA 1 +ATOM 37190 C C . LEU V 4 53 ? 21.887 37.807 -6.434 1.00 59.95 ? 63 LEU d C 1 +ATOM 37191 O O . LEU V 4 53 ? 23.099 37.796 -6.185 1.00 58.41 ? 63 LEU d O 1 +ATOM 37192 C CB . LEU V 4 53 ? 21.105 35.634 -7.371 1.00 50.99 ? 63 LEU d CB 1 +ATOM 37193 C CG . LEU V 4 53 ? 20.623 34.730 -8.509 1.00 51.10 ? 63 LEU d CG 1 +ATOM 37194 C CD1 . LEU V 4 53 ? 20.597 33.274 -8.055 1.00 48.20 ? 63 LEU d CD1 1 +ATOM 37195 C CD2 . LEU V 4 53 ? 19.250 35.169 -8.941 1.00 49.35 ? 63 LEU d CD2 1 +ATOM 37196 N N . ALA V 4 54 ? 20.984 38.344 -5.631 1.00 50.13 ? 64 ALA d N 1 +ATOM 37197 C CA . ALA V 4 54 ? 21.297 38.639 -4.247 1.00 52.42 ? 64 ALA d CA 1 +ATOM 37198 C C . ALA V 4 54 ? 21.154 37.354 -3.438 1.00 59.28 ? 64 ALA d C 1 +ATOM 37199 O O . ALA V 4 54 ? 20.302 36.515 -3.735 1.00 70.40 ? 64 ALA d O 1 +ATOM 37200 C CB . ALA V 4 54 ? 20.363 39.734 -3.719 1.00 52.06 ? 64 ALA d CB 1 +ATOM 37201 N N . SER V 4 55 ? 22.011 37.190 -2.405 1.00 58.37 ? 65 SER d N 1 +ATOM 37202 C CA . SER V 4 55 ? 22.049 35.919 -1.687 1.00 56.56 ? 65 SER d CA 1 +ATOM 37203 C C . SER V 4 55 ? 22.546 36.013 -0.244 1.00 64.81 ? 65 SER d C 1 +ATOM 37204 O O . SER V 4 55 ? 22.967 34.987 0.311 1.00 57.44 ? 65 SER d O 1 +ATOM 37205 C CB . SER V 4 55 ? 22.937 34.902 -2.458 1.00 57.83 ? 65 SER d CB 1 +ATOM 37206 O OG . SER V 4 55 ? 24.241 35.428 -2.697 1.00 57.45 ? 65 SER d OG 1 +ATOM 37207 N N . SER V 4 56 ? 22.516 37.191 0.383 1.00 62.27 ? 66 SER d N 1 +ATOM 37208 C CA . SER V 4 56 ? 23.047 37.359 1.728 1.00 63.83 ? 66 SER d CA 1 +ATOM 37209 C C . SER V 4 56 ? 22.064 38.144 2.582 1.00 54.35 ? 66 SER d C 1 +ATOM 37210 O O . SER V 4 56 ? 21.201 38.860 2.064 1.00 57.05 ? 66 SER d O 1 +ATOM 37211 C CB . SER V 4 56 ? 24.396 38.056 1.700 1.00 55.24 ? 66 SER d CB 1 +ATOM 37212 O OG . SER V 4 56 ? 24.247 39.337 1.115 1.00 66.07 ? 66 SER d OG 1 +ATOM 37213 N N . TYR V 4 57 ? 22.166 37.969 3.902 1.00 55.44 ? 67 TYR d N 1 +ATOM 37214 C CA . TYR V 4 57 ? 21.371 38.812 4.798 1.00 72.60 ? 67 TYR d CA 1 +ATOM 37215 C C . TYR V 4 57 ? 21.665 40.283 4.540 1.00 61.34 ? 67 TYR d C 1 +ATOM 37216 O O . TYR V 4 57 ? 20.753 41.119 4.541 1.00 58.11 ? 67 TYR d O 1 +ATOM 37217 C CB . TYR V 4 57 ? 21.632 38.459 6.270 1.00 49.79 ? 67 TYR d CB 1 +ATOM 37218 C CG . TYR V 4 57 ? 21.317 37.033 6.609 1.00 58.18 ? 67 TYR d CG 1 +ATOM 37219 C CD1 . TYR V 4 57 ? 20.090 36.474 6.259 1.00 55.71 ? 67 TYR d CD1 1 +ATOM 37220 C CD2 . TYR V 4 57 ? 22.257 36.224 7.258 1.00 56.33 ? 67 TYR d CD2 1 +ATOM 37221 C CE1 . TYR V 4 57 ? 19.796 35.152 6.550 1.00 56.48 ? 67 TYR d CE1 1 +ATOM 37222 C CE2 . TYR V 4 57 ? 21.974 34.903 7.552 1.00 57.92 ? 67 TYR d CE2 1 +ATOM 37223 C CZ . TYR V 4 57 ? 20.742 34.367 7.186 1.00 54.90 ? 67 TYR d CZ 1 +ATOM 37224 O OH . TYR V 4 57 ? 20.441 33.050 7.474 1.00 55.83 ? 67 TYR d OH 1 +ATOM 37225 N N . LEU V 4 58 ? 22.935 40.602 4.275 1.00 57.08 ? 68 LEU d N 1 +ATOM 37226 C CA . LEU V 4 58 ? 23.325 41.977 4.005 1.00 52.73 ? 68 LEU d CA 1 +ATOM 37227 C C . LEU V 4 58 ? 22.529 42.563 2.838 1.00 67.70 ? 68 LEU d C 1 +ATOM 37228 O O . LEU V 4 58 ? 22.177 43.750 2.851 1.00 63.31 ? 68 LEU d O 1 +ATOM 37229 C CB . LEU V 4 58 ? 24.833 42.033 3.737 1.00 52.60 ? 68 LEU d CB 1 +ATOM 37230 C CG . LEU V 4 58 ? 25.420 43.433 3.485 1.00 63.83 ? 68 LEU d CG 1 +ATOM 37231 C CD1 . LEU V 4 58 ? 25.096 44.406 4.649 1.00 56.60 ? 68 LEU d CD1 1 +ATOM 37232 C CD2 . LEU V 4 58 ? 26.926 43.341 3.236 1.00 63.38 ? 68 LEU d CD2 1 +ATOM 37233 N N . GLU V 4 59 ? 22.213 41.746 1.824 1.00 57.36 ? 69 GLU d N 1 +ATOM 37234 C CA . GLU V 4 59 ? 21.429 42.251 0.702 1.00 55.25 ? 69 GLU d CA 1 +ATOM 37235 C C . GLU V 4 59 ? 19.927 42.252 0.943 1.00 52.18 ? 69 GLU d C 1 +ATOM 37236 O O . GLU V 4 59 ? 19.188 42.737 0.087 1.00 64.82 ? 69 GLU d O 1 +ATOM 37237 C CB . GLU V 4 59 ? 21.732 41.451 -0.555 1.00 51.73 ? 69 GLU d CB 1 +ATOM 37238 C CG . GLU V 4 59 ? 23.174 41.585 -0.990 1.00 65.97 ? 69 GLU d CG 1 +ATOM 37239 C CD . GLU V 4 59 ? 23.569 40.543 -2.019 1.00 61.08 ? 69 GLU d CD 1 +ATOM 37240 O OE1 . GLU V 4 59 ? 23.703 39.348 -1.646 1.00 60.38 ? 69 GLU d OE1 1 +ATOM 37241 O OE2 . GLU V 4 59 ? 23.735 40.922 -3.195 1.00 60.68 ? 69 GLU d OE2 1 +ATOM 37242 N N . GLY V 4 60 ? 19.439 41.732 2.062 1.00 51.31 ? 70 GLY d N 1 +ATOM 37243 C CA . GLY V 4 60 ? 18.009 41.699 2.297 1.00 60.14 ? 70 GLY d CA 1 +ATOM 37244 C C . GLY V 4 60 ? 17.363 40.332 2.169 1.00 66.41 ? 70 GLY d C 1 +ATOM 37245 O O . GLY V 4 60 ? 16.135 40.239 2.294 1.00 61.74 ? 70 GLY d O 1 +ATOM 37246 N N . CYS V 4 61 ? 18.133 39.273 1.936 1.00 56.73 ? 71 CYS d N 1 +ATOM 37247 C CA . CYS V 4 61 ? 17.575 37.927 1.910 1.00 53.21 ? 71 CYS d CA 1 +ATOM 37248 C C . CYS V 4 61 ? 17.263 37.427 3.317 1.00 61.86 ? 71 CYS d C 1 +ATOM 37249 O O . CYS V 4 61 ? 17.815 37.900 4.319 1.00 57.16 ? 71 CYS d O 1 +ATOM 37250 C CB . CYS V 4 61 ? 18.542 36.949 1.238 1.00 50.60 ? 71 CYS d CB 1 +ATOM 37251 S SG . CYS V 4 61 ? 18.760 37.240 -0.525 1.00 57.77 ? 71 CYS d SG 1 +ATOM 37252 N N . ASN V 4 62 ? 16.377 36.436 3.380 1.00 55.24 ? 72 ASN d N 1 +ATOM 37253 C CA . ASN V 4 62 ? 16.038 35.789 4.630 1.00 58.70 ? 72 ASN d CA 1 +ATOM 37254 C C . ASN V 4 62 ? 16.701 34.403 4.691 1.00 61.20 ? 72 ASN d C 1 +ATOM 37255 O O . ASN V 4 62 ? 17.480 34.014 3.811 1.00 56.35 ? 72 ASN d O 1 +ATOM 37256 C CB . ASN V 4 62 ? 14.514 35.749 4.800 1.00 53.51 ? 72 ASN d CB 1 +ATOM 37257 C CG . ASN V 4 62 ? 13.817 34.948 3.725 1.00 59.44 ? 72 ASN d CG 1 +ATOM 37258 O OD1 . ASN V 4 62 ? 14.158 33.780 3.485 1.00 59.21 ? 72 ASN d OD1 1 +ATOM 37259 N ND2 . ASN V 4 62 ? 12.811 35.561 3.078 1.00 52.73 ? 72 ASN d ND2 1 +ATOM 37260 N N . PHE V 4 63 ? 16.398 33.656 5.759 1.00 51.69 ? 73 PHE d N 1 +ATOM 37261 C CA . PHE V 4 63 ? 17.045 32.362 5.955 1.00 51.92 ? 73 PHE d CA 1 +ATOM 37262 C C . PHE V 4 63 ? 16.749 31.389 4.801 1.00 61.76 ? 73 PHE d C 1 +ATOM 37263 O O . PHE V 4 63 ? 17.620 30.597 4.409 1.00 52.71 ? 73 PHE d O 1 +ATOM 37264 C CB . PHE V 4 63 ? 16.623 31.761 7.301 1.00 49.16 ? 73 PHE d CB 1 +ATOM 37265 C CG . PHE V 4 63 ? 17.027 30.317 7.465 1.00 60.13 ? 73 PHE d CG 1 +ATOM 37266 C CD1 . PHE V 4 63 ? 18.362 29.966 7.557 1.00 55.74 ? 73 PHE d CD1 1 +ATOM 37267 C CD2 . PHE V 4 63 ? 16.072 29.311 7.484 1.00 58.72 ? 73 PHE d CD2 1 +ATOM 37268 C CE1 . PHE V 4 63 ? 18.736 28.659 7.683 1.00 61.06 ? 73 PHE d CE1 1 +ATOM 37269 C CE2 . PHE V 4 63 ? 16.443 27.984 7.610 1.00 58.06 ? 73 PHE d CE2 1 +ATOM 37270 C CZ . PHE V 4 63 ? 17.776 27.659 7.715 1.00 62.49 ? 73 PHE d CZ 1 +ATOM 37271 N N . LEU V 4 64 ? 15.546 31.452 4.222 1.00 51.70 ? 74 LEU d N 1 +ATOM 37272 C CA . LEU V 4 64 ? 15.226 30.570 3.105 1.00 53.74 ? 74 LEU d CA 1 +ATOM 37273 C C . LEU V 4 64 ? 15.942 30.966 1.812 1.00 57.36 ? 74 LEU d C 1 +ATOM 37274 O O . LEU V 4 64 ? 16.177 30.100 0.955 1.00 55.67 ? 74 LEU d O 1 +ATOM 37275 C CB . LEU V 4 64 ? 13.714 30.530 2.883 1.00 52.63 ? 74 LEU d CB 1 +ATOM 37276 C CG . LEU V 4 64 ? 12.869 30.105 4.084 1.00 55.17 ? 74 LEU d CG 1 +ATOM 37277 C CD1 . LEU V 4 64 ? 11.397 30.156 3.747 1.00 61.27 ? 74 LEU d CD1 1 +ATOM 37278 C CD2 . LEU V 4 64 ? 13.252 28.716 4.531 1.00 58.42 ? 74 LEU d CD2 1 +ATOM 37279 N N . THR V 4 65 ? 16.294 32.245 1.616 1.00 51.56 ? 75 THR d N 1 +ATOM 37280 C CA . THR V 4 65 ? 16.815 32.609 0.305 1.00 50.69 ? 75 THR d CA 1 +ATOM 37281 C C . THR V 4 65 ? 18.306 32.907 0.265 1.00 53.91 ? 75 THR d C 1 +ATOM 37282 O O . THR V 4 65 ? 18.847 33.056 -0.834 1.00 59.27 ? 75 THR d O 1 +ATOM 37283 C CB . THR V 4 65 ? 16.035 33.791 -0.294 1.00 56.41 ? 75 THR d CB 1 +ATOM 37284 O OG1 . THR V 4 65 ? 16.170 34.950 0.534 1.00 59.18 ? 75 THR d OG1 1 +ATOM 37285 C CG2 . THR V 4 65 ? 14.566 33.435 -0.425 1.00 54.24 ? 75 THR d CG2 1 +ATOM 37286 N N . VAL V 4 66 ? 18.985 32.998 1.403 1.00 48.97 ? 76 VAL d N 1 +ATOM 37287 C CA . VAL V 4 66 ? 20.436 33.145 1.375 1.00 54.48 ? 76 VAL d CA 1 +ATOM 37288 C C . VAL V 4 66 ? 21.084 31.883 0.822 1.00 59.82 ? 76 VAL d C 1 +ATOM 37289 O O . VAL V 4 66 ? 20.604 30.754 1.021 1.00 50.99 ? 76 VAL d O 1 +ATOM 37290 C CB . VAL V 4 66 ? 21.016 33.441 2.774 1.00 63.74 ? 76 VAL d CB 1 +ATOM 37291 C CG1 . VAL V 4 66 ? 20.598 34.836 3.281 1.00 50.16 ? 76 VAL d CG1 1 +ATOM 37292 C CG2 . VAL V 4 66 ? 20.644 32.325 3.739 1.00 47.91 ? 76 VAL d CG2 1 +ATOM 37293 N N . ALA V 4 67 ? 22.240 32.063 0.203 1.00 49.89 ? 77 ALA d N 1 +ATOM 37294 C CA . ALA V 4 67 ? 23.012 30.903 -0.216 1.00 57.21 ? 77 ALA d CA 1 +ATOM 37295 C C . ALA V 4 67 ? 24.460 31.330 -0.371 1.00 49.91 ? 77 ALA d C 1 +ATOM 37296 O O . ALA V 4 67 ? 24.764 32.513 -0.482 1.00 59.08 ? 77 ALA d O 1 +ATOM 37297 C CB . ALA V 4 67 ? 22.479 30.319 -1.552 1.00 55.62 ? 77 ALA d CB 1 +ATOM 37298 N N . VAL V 4 68 ? 25.347 30.349 -0.378 1.00 53.15 ? 78 VAL d N 1 +ATOM 37299 C CA . VAL V 4 68 ? 26.629 30.482 -1.050 1.00 51.86 ? 78 VAL d CA 1 +ATOM 37300 C C . VAL V 4 68 ? 26.443 29.846 -2.418 1.00 55.98 ? 78 VAL d C 1 +ATOM 37301 O O . VAL V 4 68 ? 26.332 28.618 -2.527 1.00 57.99 ? 78 VAL d O 1 +ATOM 37302 C CB . VAL V 4 68 ? 27.770 29.824 -0.269 1.00 52.99 ? 78 VAL d CB 1 +ATOM 37303 C CG1 . VAL V 4 68 ? 29.047 29.894 -1.075 1.00 51.67 ? 78 VAL d CG1 1 +ATOM 37304 C CG2 . VAL V 4 68 ? 27.955 30.510 1.099 1.00 56.40 ? 78 VAL d CG2 1 +ATOM 37305 N N . SER V 4 69 ? 26.378 30.669 -3.459 1.00 49.76 ? 79 SER d N 1 +ATOM 37306 C CA . SER V 4 69 ? 26.091 30.196 -4.804 1.00 48.76 ? 79 SER d CA 1 +ATOM 37307 C C . SER V 4 69 ? 27.360 29.724 -5.502 1.00 59.64 ? 79 SER d C 1 +ATOM 37308 O O . SER V 4 69 ? 28.478 30.125 -5.164 1.00 58.27 ? 79 SER d O 1 +ATOM 37309 C CB . SER V 4 69 ? 25.422 31.293 -5.629 1.00 49.77 ? 79 SER d CB 1 +ATOM 37310 O OG . SER V 4 69 ? 24.236 31.750 -4.999 1.00 49.58 ? 79 SER d OG 1 +ATOM 37311 N N . THR V 4 70 ? 27.165 28.848 -6.492 1.00 57.19 ? 80 THR d N 1 +ATOM 37312 C CA . THR V 4 70 ? 28.254 28.314 -7.304 1.00 50.25 ? 80 THR d CA 1 +ATOM 37313 C C . THR V 4 70 ? 28.975 29.419 -8.078 1.00 52.89 ? 80 THR d C 1 +ATOM 37314 O O . THR V 4 70 ? 28.383 30.446 -8.409 1.00 51.08 ? 80 THR d O 1 +ATOM 37315 C CB . THR V 4 70 ? 27.691 27.295 -8.293 1.00 52.99 ? 80 THR d CB 1 +ATOM 37316 O OG1 . THR V 4 70 ? 26.635 27.928 -9.036 1.00 48.22 ? 80 THR d OG1 1 +ATOM 37317 C CG2 . THR V 4 70 ? 27.136 26.083 -7.549 1.00 47.51 ? 80 THR d CG2 1 +ATOM 37318 N N . PRO V 4 71 ? 30.238 29.190 -8.451 1.00 60.77 ? 81 PRO d N 1 +ATOM 37319 C CA . PRO V 4 71 ? 30.959 30.163 -9.298 1.00 50.08 ? 81 PRO d CA 1 +ATOM 37320 C C . PRO V 4 71 ? 30.348 30.303 -10.683 1.00 59.28 ? 81 PRO d C 1 +ATOM 37321 O O . PRO V 4 71 ? 29.512 29.511 -11.121 1.00 61.72 ? 81 PRO d O 1 +ATOM 37322 C CB . PRO V 4 71 ? 32.376 29.589 -9.398 1.00 56.01 ? 81 PRO d CB 1 +ATOM 37323 C CG . PRO V 4 71 ? 32.472 28.545 -8.307 1.00 54.57 ? 81 PRO d CG 1 +ATOM 37324 C CD . PRO V 4 71 ? 31.076 28.031 -8.095 1.00 52.43 ? 81 PRO d CD 1 +ATOM 37325 N N . ALA V 4 72 ? 30.825 31.319 -11.398 1.00 54.62 ? 82 ALA d N 1 +ATOM 37326 C CA . ALA V 4 72 ? 30.362 31.596 -12.749 1.00 54.52 ? 82 ALA d CA 1 +ATOM 37327 C C . ALA V 4 72 ? 30.728 30.467 -13.699 1.00 57.95 ? 82 ALA d C 1 +ATOM 37328 O O . ALA V 4 72 ? 31.806 29.869 -13.607 1.00 54.30 ? 82 ALA d O 1 +ATOM 37329 C CB . ALA V 4 72 ? 30.965 32.898 -13.274 1.00 53.97 ? 82 ALA d CB 1 +ATOM 37330 N N . ASN V 4 73 ? 29.827 30.205 -14.655 1.00 57.07 ? 83 ASN d N 1 +ATOM 37331 C CA . ASN V 4 73 ? 30.097 29.162 -15.636 1.00 50.45 ? 83 ASN d CA 1 +ATOM 37332 C C . ASN V 4 73 ? 31.448 29.358 -16.312 1.00 62.61 ? 83 ASN d C 1 +ATOM 37333 O O . ASN V 4 73 ? 32.127 28.372 -16.628 1.00 55.32 ? 83 ASN d O 1 +ATOM 37334 C CB . ASN V 4 73 ? 28.988 29.109 -16.686 1.00 52.23 ? 83 ASN d CB 1 +ATOM 37335 C CG . ASN V 4 73 ? 29.106 27.890 -17.581 1.00 50.75 ? 83 ASN d CG 1 +ATOM 37336 O OD1 . ASN V 4 73 ? 28.867 26.759 -17.151 1.00 56.07 ? 83 ASN d OD1 1 +ATOM 37337 N ND2 . ASN V 4 73 ? 29.503 28.104 -18.813 1.00 55.70 ? 83 ASN d ND2 1 +ATOM 37338 N N . SER V 4 74 ? 31.873 30.620 -16.511 1.00 51.65 ? 84 SER d N 1 +ATOM 37339 C CA . SER V 4 74 ? 33.152 30.882 -17.170 1.00 57.91 ? 84 SER d CA 1 +ATOM 37340 C C . SER V 4 74 ? 34.336 30.354 -16.368 1.00 59.45 ? 84 SER d C 1 +ATOM 37341 O O . SER V 4 74 ? 35.423 30.166 -16.928 1.00 61.42 ? 84 SER d O 1 +ATOM 37342 C CB . SER V 4 74 ? 33.322 32.384 -17.447 1.00 51.49 ? 84 SER d CB 1 +ATOM 37343 O OG . SER V 4 74 ? 33.163 33.187 -16.281 1.00 69.32 ? 84 SER d OG 1 +ATOM 37344 N N . MET V 4 75 ? 34.149 30.065 -15.084 1.00 52.60 ? 85 MET d N 1 +ATOM 37345 C CA . MET V 4 75 ? 35.254 29.501 -14.326 1.00 65.39 ? 85 MET d CA 1 +ATOM 37346 C C . MET V 4 75 ? 35.530 28.031 -14.657 1.00 69.18 ? 85 MET d C 1 +ATOM 37347 O O . MET V 4 75 ? 36.559 27.505 -14.209 1.00 67.38 ? 85 MET d O 1 +ATOM 37348 C CB . MET V 4 75 ? 34.992 29.670 -12.829 1.00 51.41 ? 85 MET d CB 1 +ATOM 37349 C CG . MET V 4 75 ? 34.614 31.103 -12.401 1.00 71.84 ? 85 MET d CG 1 +ATOM 37350 S SD . MET V 4 75 ? 35.734 32.469 -12.897 1.00 76.64 ? 85 MET d SD 1 +ATOM 37351 C CE . MET V 4 75 ? 37.262 31.736 -12.431 1.00 58.60 ? 85 MET d CE 1 +ATOM 37352 N N . GLY V 4 76 ? 34.664 27.362 -15.436 1.00 59.80 ? 86 GLY d N 1 +ATOM 37353 C CA . GLY V 4 76 ? 34.840 25.929 -15.659 1.00 49.00 ? 86 GLY d CA 1 +ATOM 37354 C C . GLY V 4 76 ? 34.835 25.150 -14.351 1.00 55.04 ? 86 GLY d C 1 +ATOM 37355 O O . GLY V 4 76 ? 33.990 25.364 -13.473 1.00 52.45 ? 86 GLY d O 1 +ATOM 37356 N N . HIS V 4 77 ? 35.790 24.231 -14.203 1.00 55.79 ? 87 HIS d N 1 +ATOM 37357 C CA . HIS V 4 77 ? 35.961 23.450 -12.979 1.00 52.05 ? 87 HIS d CA 1 +ATOM 37358 C C . HIS V 4 77 ? 37.203 23.901 -12.220 1.00 56.33 ? 87 HIS d C 1 +ATOM 37359 O O . HIS V 4 77 ? 37.914 23.099 -11.616 1.00 50.52 ? 87 HIS d O 1 +ATOM 37360 C CB . HIS V 4 77 ? 36.028 21.947 -13.270 1.00 48.63 ? 87 HIS d CB 1 +ATOM 37361 C CG . HIS V 4 77 ? 34.874 21.442 -14.079 1.00 58.21 ? 87 HIS d CG 1 +ATOM 37362 N ND1 . HIS V 4 77 ? 34.915 21.351 -15.453 1.00 51.12 ? 87 HIS d ND1 1 +ATOM 37363 C CD2 . HIS V 4 77 ? 33.634 21.037 -13.711 1.00 56.95 ? 87 HIS d CD2 1 +ATOM 37364 C CE1 . HIS V 4 77 ? 33.752 20.907 -15.897 1.00 61.00 ? 87 HIS d CE1 1 +ATOM 37365 N NE2 . HIS V 4 77 ? 32.956 20.712 -14.862 1.00 53.03 ? 87 HIS d NE2 1 +ATOM 37366 N N . SER V 4 78 ? 37.463 25.210 -12.229 1.00 62.24 ? 88 SER d N 1 +ATOM 37367 C CA . SER V 4 78 ? 38.605 25.748 -11.503 1.00 54.34 ? 88 SER d CA 1 +ATOM 37368 C C . SER V 4 78 ? 38.515 25.440 -10.006 1.00 52.22 ? 88 SER d C 1 +ATOM 37369 O O . SER V 4 78 ? 37.452 25.560 -9.385 1.00 48.99 ? 88 SER d O 1 +ATOM 37370 C CB . SER V 4 78 ? 38.689 27.253 -11.730 1.00 57.74 ? 88 SER d CB 1 +ATOM 37371 O OG . SER V 4 78 ? 39.770 27.787 -10.998 1.00 59.46 ? 88 SER d OG 1 +ATOM 37372 N N . LEU V 4 79 ? 39.651 25.041 -9.423 1.00 53.11 ? 89 LEU d N 1 +ATOM 37373 C CA . LEU V 4 79 ? 39.731 24.935 -7.965 1.00 49.63 ? 89 LEU d CA 1 +ATOM 37374 C C . LEU V 4 79 ? 39.421 26.269 -7.292 1.00 58.00 ? 89 LEU d C 1 +ATOM 37375 O O . LEU V 4 79 ? 38.947 26.295 -6.144 1.00 54.89 ? 89 LEU d O 1 +ATOM 37376 C CB . LEU V 4 79 ? 41.116 24.428 -7.564 1.00 56.88 ? 89 LEU d CB 1 +ATOM 37377 C CG . LEU V 4 79 ? 41.434 23.001 -8.051 1.00 61.43 ? 89 LEU d CG 1 +ATOM 37378 C CD1 . LEU V 4 79 ? 42.913 22.649 -7.899 1.00 62.64 ? 89 LEU d CD1 1 +ATOM 37379 C CD2 . LEU V 4 79 ? 40.597 21.981 -7.299 1.00 62.56 ? 89 LEU d CD2 1 +ATOM 37380 N N . LEU V 4 80 ? 39.655 27.381 -8.007 1.00 52.89 ? 90 LEU d N 1 +ATOM 37381 C CA . LEU V 4 80 ? 39.400 28.724 -7.522 1.00 51.96 ? 90 LEU d CA 1 +ATOM 37382 C C . LEU V 4 80 ? 40.100 28.955 -6.187 1.00 56.31 ? 90 LEU d C 1 +ATOM 37383 O O . LEU V 4 80 ? 39.501 29.398 -5.201 1.00 57.35 ? 90 LEU d O 1 +ATOM 37384 C CB . LEU V 4 80 ? 37.901 28.981 -7.420 1.00 52.94 ? 90 LEU d CB 1 +ATOM 37385 C CG . LEU V 4 80 ? 37.308 29.845 -8.531 1.00 69.00 ? 90 LEU d CG 1 +ATOM 37386 C CD1 . LEU V 4 80 ? 35.813 29.949 -8.356 1.00 66.24 ? 90 LEU d CD1 1 +ATOM 37387 C CD2 . LEU V 4 80 ? 37.935 31.235 -8.528 1.00 68.83 ? 90 LEU d CD2 1 +ATOM 37388 N N . LEU V 4 81 ? 41.377 28.583 -6.146 1.00 59.74 ? 91 LEU d N 1 +ATOM 37389 C CA . LEU V 4 81 ? 42.182 28.834 -4.957 1.00 67.18 ? 91 LEU d CA 1 +ATOM 37390 C C . LEU V 4 81 ? 42.348 30.339 -4.779 1.00 71.16 ? 91 LEU d C 1 +ATOM 37391 O O . LEU V 4 81 ? 42.398 31.094 -5.758 1.00 62.41 ? 91 LEU d O 1 +ATOM 37392 C CB . LEU V 4 81 ? 43.552 28.158 -5.084 1.00 60.78 ? 91 LEU d CB 1 +ATOM 37393 C CG . LEU V 4 81 ? 43.573 26.672 -5.449 1.00 64.43 ? 91 LEU d CG 1 +ATOM 37394 C CD1 . LEU V 4 81 ? 44.997 26.139 -5.521 1.00 57.42 ? 91 LEU d CD1 1 +ATOM 37395 C CD2 . LEU V 4 81 ? 42.736 25.877 -4.442 1.00 54.71 ? 91 LEU d CD2 1 +ATOM 37396 N N . LEU V 4 82 ? 42.393 30.776 -3.515 1.00 63.38 ? 92 LEU d N 1 +ATOM 37397 C CA . LEU V 4 82 ? 42.596 32.192 -3.222 1.00 58.14 ? 92 LEU d CA 1 +ATOM 37398 C C . LEU V 4 82 ? 43.804 32.728 -3.977 1.00 54.14 ? 92 LEU d C 1 +ATOM 37399 O O . LEU V 4 82 ? 43.717 33.742 -4.675 1.00 61.26 ? 92 LEU d O 1 +ATOM 37400 C CB . LEU V 4 82 ? 42.760 32.398 -1.714 1.00 55.60 ? 92 LEU d CB 1 +ATOM 37401 C CG . LEU V 4 82 ? 43.010 33.835 -1.215 1.00 63.63 ? 92 LEU d CG 1 +ATOM 37402 C CD1 . LEU V 4 82 ? 41.914 34.804 -1.686 1.00 58.86 ? 92 LEU d CD1 1 +ATOM 37403 C CD2 . LEU V 4 82 ? 43.132 33.855 0.307 1.00 59.46 ? 92 LEU d CD2 1 +ATOM 37404 N N . TRP V 4 83 ? 44.924 32.017 -3.903 1.00 61.13 ? 93 TRP d N 1 +ATOM 37405 C CA . TRP V 4 83 ? 46.138 32.403 -4.598 1.00 58.68 ? 93 TRP d CA 1 +ATOM 37406 C C . TRP V 4 83 ? 46.166 31.954 -6.044 1.00 58.81 ? 93 TRP d C 1 +ATOM 37407 O O . TRP V 4 83 ? 47.245 31.938 -6.641 1.00 67.58 ? 93 TRP d O 1 +ATOM 37408 C CB . TRP V 4 83 ? 47.348 31.823 -3.875 1.00 57.40 ? 93 TRP d CB 1 +ATOM 37409 C CG . TRP V 4 83 ? 47.273 30.355 -3.764 1.00 69.34 ? 93 TRP d CG 1 +ATOM 37410 C CD1 . TRP V 4 83 ? 47.717 29.440 -4.674 1.00 62.81 ? 93 TRP d CD1 1 +ATOM 37411 C CD2 . TRP V 4 83 ? 46.708 29.607 -2.684 1.00 67.58 ? 93 TRP d CD2 1 +ATOM 37412 N NE1 . TRP V 4 83 ? 47.476 28.169 -4.220 1.00 70.29 ? 93 TRP d NE1 1 +ATOM 37413 C CE2 . TRP V 4 83 ? 46.853 28.240 -3.004 1.00 62.26 ? 93 TRP d CE2 1 +ATOM 37414 C CE3 . TRP V 4 83 ? 46.094 29.961 -1.475 1.00 70.30 ? 93 TRP d CE3 1 +ATOM 37415 C CZ2 . TRP V 4 83 ? 46.411 27.224 -2.162 1.00 67.92 ? 93 TRP d CZ2 1 +ATOM 37416 C CZ3 . TRP V 4 83 ? 45.652 28.951 -0.635 1.00 63.90 ? 93 TRP d CZ3 1 +ATOM 37417 C CH2 . TRP V 4 83 ? 45.816 27.595 -0.981 1.00 74.07 ? 93 TRP d CH2 1 +ATOM 37418 N N . GLY V 4 84 ? 45.031 31.560 -6.613 1.00 69.14 ? 94 GLY d N 1 +ATOM 37419 C CA . GLY V 4 84 ? 45.000 31.055 -7.964 1.00 49.61 ? 94 GLY d CA 1 +ATOM 37420 C C . GLY V 4 84 ? 45.042 32.172 -8.982 1.00 71.38 ? 94 GLY d C 1 +ATOM 37421 O O . GLY V 4 84 ? 44.981 33.365 -8.660 1.00 62.77 ? 94 GLY d O 1 +ATOM 37422 N N . PRO V 4 85 ? 45.131 31.788 -10.260 1.00 64.42 ? 95 PRO d N 1 +ATOM 37423 C CA . PRO V 4 85 ? 45.248 32.796 -11.324 1.00 68.39 ? 95 PRO d CA 1 +ATOM 37424 C C . PRO V 4 85 ? 43.984 33.613 -11.541 1.00 73.41 ? 95 PRO d C 1 +ATOM 37425 O O . PRO V 4 85 ? 44.031 34.612 -12.271 1.00 70.75 ? 95 PRO d O 1 +ATOM 37426 C CB . PRO V 4 85 ? 45.593 31.957 -12.567 1.00 75.19 ? 95 PRO d CB 1 +ATOM 37427 C CG . PRO V 4 85 ? 45.023 30.605 -12.280 1.00 63.50 ? 95 PRO d CG 1 +ATOM 37428 C CD . PRO V 4 85 ? 45.106 30.409 -10.784 1.00 60.64 ? 95 PRO d CD 1 +ATOM 37429 N N . GLU V 4 86 ? 42.862 33.236 -10.937 1.00 59.67 ? 96 GLU d N 1 +ATOM 37430 C CA . GLU V 4 86 ? 41.628 33.976 -11.176 1.00 62.20 ? 96 GLU d CA 1 +ATOM 37431 C C . GLU V 4 86 ? 41.449 35.122 -10.182 1.00 64.62 ? 96 GLU d C 1 +ATOM 37432 O O . GLU V 4 86 ? 41.173 36.257 -10.577 1.00 68.33 ? 96 GLU d O 1 +ATOM 37433 C CB . GLU V 4 86 ? 40.432 33.018 -11.116 1.00 60.01 ? 96 GLU d CB 1 +ATOM 37434 C CG . GLU V 4 86 ? 40.540 31.832 -12.080 1.00 57.11 ? 96 GLU d CG 1 +ATOM 37435 C CD . GLU V 4 86 ? 41.216 30.587 -11.501 1.00 54.34 ? 96 GLU d CD 1 +ATOM 37436 O OE1 . GLU V 4 86 ? 41.626 30.554 -10.322 1.00 56.89 ? 96 GLU d OE1 1 +ATOM 37437 O OE2 . GLU V 4 86 ? 41.340 29.615 -12.259 1.00 63.77 ? 96 GLU d OE2 1 +ATOM 37438 N N . ALA V 4 87 ? 41.586 34.835 -8.888 1.00 67.41 ? 97 ALA d N 1 +ATOM 37439 C CA . ALA V 4 87 ? 41.485 35.859 -7.859 1.00 64.01 ? 97 ALA d CA 1 +ATOM 37440 C C . ALA V 4 87 ? 42.823 36.520 -7.579 1.00 77.72 ? 97 ALA d C 1 +ATOM 37441 O O . ALA V 4 87 ? 42.857 37.693 -7.185 1.00 68.94 ? 97 ALA d O 1 +ATOM 37442 C CB . ALA V 4 87 ? 40.936 35.255 -6.563 1.00 57.64 ? 97 ALA d CB 1 +ATOM 37443 N N . GLN V 4 88 ? 43.919 35.777 -7.746 1.00 62.16 ? 98 GLN d N 1 +ATOM 37444 C CA . GLN V 4 88 ? 45.267 36.321 -7.618 1.00 71.74 ? 98 GLN d CA 1 +ATOM 37445 C C . GLN V 4 88 ? 45.507 36.944 -6.247 1.00 73.85 ? 98 GLN d C 1 +ATOM 37446 O O . GLN V 4 88 ? 46.118 38.003 -6.132 1.00 89.53 ? 98 GLN d O 1 +ATOM 37447 C CB . GLN V 4 88 ? 45.542 37.329 -8.730 1.00 70.60 ? 98 GLN d CB 1 +ATOM 37448 C CG . GLN V 4 88 ? 45.629 36.672 -10.089 1.00 86.63 ? 98 GLN d CG 1 +ATOM 37449 C CD . GLN V 4 88 ? 45.476 37.646 -11.236 1.00 83.64 ? 98 GLN d CD 1 +ATOM 37450 O OE1 . GLN V 4 88 ? 44.963 38.747 -11.070 1.00 102.62 ? 98 GLN d OE1 1 +ATOM 37451 N NE2 . GLN V 4 88 ? 45.914 37.233 -12.418 1.00 129.19 ? 98 GLN d NE2 1 +ATOM 37452 N N . GLY V 4 89 ? 45.043 36.281 -5.195 1.00 73.48 ? 99 GLY d N 1 +ATOM 37453 C CA . GLY V 4 89 ? 45.337 36.713 -3.851 1.00 64.84 ? 99 GLY d CA 1 +ATOM 37454 C C . GLY V 4 89 ? 44.367 37.722 -3.282 1.00 63.15 ? 99 GLY d C 1 +ATOM 37455 O O . GLY V 4 89 ? 44.381 37.947 -2.074 1.00 67.40 ? 99 GLY d O 1 +ATOM 37456 N N . ASP V 4 90 ? 43.513 38.314 -4.109 1.00 75.96 ? 100 ASP d N 1 +ATOM 37457 C CA . ASP V 4 90 ? 42.586 39.351 -3.665 1.00 63.81 ? 100 ASP d CA 1 +ATOM 37458 C C . ASP V 4 90 ? 41.372 38.682 -3.029 1.00 66.34 ? 100 ASP d C 1 +ATOM 37459 O O . ASP V 4 90 ? 40.548 38.083 -3.727 1.00 71.44 ? 100 ASP d O 1 +ATOM 37460 C CB . ASP V 4 90 ? 42.200 40.231 -4.852 1.00 66.10 ? 100 ASP d CB 1 +ATOM 37461 C CG . ASP V 4 90 ? 41.385 41.447 -4.454 1.00 67.68 ? 100 ASP d CG 1 +ATOM 37462 O OD1 . ASP V 4 90 ? 40.426 41.321 -3.671 1.00 69.22 ? 100 ASP d OD1 1 +ATOM 37463 O OD2 . ASP V 4 90 ? 41.703 42.545 -4.951 1.00 92.31 ? 100 ASP d OD2 1 +ATOM 37464 N N . PHE V 4 91 ? 41.262 38.784 -1.704 1.00 64.36 ? 101 PHE d N 1 +ATOM 37465 C CA . PHE V 4 91 ? 40.168 38.138 -0.987 1.00 64.98 ? 101 PHE d CA 1 +ATOM 37466 C C . PHE V 4 91 ? 38.812 38.649 -1.453 1.00 65.34 ? 101 PHE d C 1 +ATOM 37467 O O . PHE V 4 91 ? 37.835 37.894 -1.493 1.00 64.17 ? 101 PHE d O 1 +ATOM 37468 C CB . PHE V 4 91 ? 40.335 38.356 0.518 1.00 62.19 ? 101 PHE d CB 1 +ATOM 37469 C CG . PHE V 4 91 ? 39.181 37.856 1.336 1.00 67.99 ? 101 PHE d CG 1 +ATOM 37470 C CD1 . PHE V 4 91 ? 39.123 36.531 1.733 1.00 60.34 ? 101 PHE d CD1 1 +ATOM 37471 C CD2 . PHE V 4 91 ? 38.147 38.713 1.702 1.00 60.12 ? 101 PHE d CD2 1 +ATOM 37472 C CE1 . PHE V 4 91 ? 38.061 36.062 2.498 1.00 60.58 ? 101 PHE d CE1 1 +ATOM 37473 C CE2 . PHE V 4 91 ? 37.082 38.253 2.458 1.00 60.23 ? 101 PHE d CE2 1 +ATOM 37474 C CZ . PHE V 4 91 ? 37.045 36.917 2.857 1.00 68.15 ? 101 PHE d CZ 1 +ATOM 37475 N N . THR V 4 92 ? 38.722 39.932 -1.783 1.00 64.46 ? 102 THR d N 1 +ATOM 37476 C CA . THR V 4 92 ? 37.430 40.495 -2.154 1.00 71.13 ? 102 THR d CA 1 +ATOM 37477 C C . THR V 4 92 ? 36.979 39.989 -3.519 1.00 66.57 ? 102 THR d C 1 +ATOM 37478 O O . THR V 4 92 ? 35.810 39.630 -3.691 1.00 60.65 ? 102 THR d O 1 +ATOM 37479 C CB . THR V 4 92 ? 37.494 42.025 -2.110 1.00 66.36 ? 102 THR d CB 1 +ATOM 37480 O OG1 . THR V 4 92 ? 37.795 42.425 -0.769 1.00 64.99 ? 102 THR d OG1 1 +ATOM 37481 C CG2 . THR V 4 92 ? 36.170 42.639 -2.507 1.00 51.29 ? 102 THR d CG2 1 +ATOM 37482 N N . ARG V 4 93 ? 37.891 39.945 -4.497 1.00 63.78 ? 103 ARG d N 1 +ATOM 37483 C CA . ARG V 4 93 ? 37.545 39.423 -5.818 1.00 67.15 ? 103 ARG d CA 1 +ATOM 37484 C C . ARG V 4 93 ? 37.168 37.947 -5.739 1.00 65.88 ? 103 ARG d C 1 +ATOM 37485 O O . ARG V 4 93 ? 36.232 37.496 -6.406 1.00 62.10 ? 103 ARG d O 1 +ATOM 37486 C CB . ARG V 4 93 ? 38.719 39.616 -6.777 1.00 69.67 ? 103 ARG d CB 1 +ATOM 37487 C CG . ARG V 4 93 ? 39.092 41.052 -7.005 1.00 77.49 ? 103 ARG d CG 1 +ATOM 37488 C CD . ARG V 4 93 ? 38.014 41.759 -7.793 1.00 79.68 ? 103 ARG d CD 1 +ATOM 37489 N NE . ARG V 4 93 ? 38.260 43.190 -7.856 1.00 80.81 ? 103 ARG d NE 1 +ATOM 37490 C CZ . ARG V 4 93 ? 37.634 44.084 -7.108 1.00 86.81 ? 103 ARG d CZ 1 +ATOM 37491 N NH1 . ARG V 4 93 ? 36.692 43.731 -6.249 1.00 87.02 ? 103 ARG d NH1 1 +ATOM 37492 N NH2 . ARG V 4 93 ? 37.962 45.367 -7.223 1.00 113.33 ? 103 ARG d NH2 1 +ATOM 37493 N N . TRP V 4 94 ? 37.900 37.196 -4.920 1.00 62.65 ? 104 TRP d N 1 +ATOM 37494 C CA . TRP V 4 94 ? 37.647 35.786 -4.665 1.00 59.18 ? 104 TRP d CA 1 +ATOM 37495 C C . TRP V 4 94 ? 36.207 35.533 -4.222 1.00 65.38 ? 104 TRP d C 1 +ATOM 37496 O O . TRP V 4 94 ? 35.544 34.602 -4.704 1.00 66.09 ? 104 TRP d O 1 +ATOM 37497 C CB . TRP V 4 94 ? 38.643 35.330 -3.605 1.00 56.94 ? 104 TRP d CB 1 +ATOM 37498 C CG . TRP V 4 94 ? 38.730 33.868 -3.312 1.00 65.52 ? 104 TRP d CG 1 +ATOM 37499 C CD1 . TRP V 4 94 ? 39.145 32.870 -4.162 1.00 60.52 ? 104 TRP d CD1 1 +ATOM 37500 C CD2 . TRP V 4 94 ? 38.459 33.244 -2.059 1.00 60.22 ? 104 TRP d CD2 1 +ATOM 37501 N NE1 . TRP V 4 94 ? 39.128 31.670 -3.512 1.00 57.34 ? 104 TRP d NE1 1 +ATOM 37502 C CE2 . TRP V 4 94 ? 38.715 31.868 -2.217 1.00 62.55 ? 104 TRP d CE2 1 +ATOM 37503 C CE3 . TRP V 4 94 ? 38.027 33.716 -0.809 1.00 60.10 ? 104 TRP d CE3 1 +ATOM 37504 C CZ2 . TRP V 4 94 ? 38.546 30.956 -1.176 1.00 57.28 ? 104 TRP d CZ2 1 +ATOM 37505 C CZ3 . TRP V 4 94 ? 37.859 32.797 0.234 1.00 60.88 ? 104 TRP d CZ3 1 +ATOM 37506 C CH2 . TRP V 4 94 ? 38.112 31.439 0.038 1.00 58.77 ? 104 TRP d CH2 1 +ATOM 37507 N N . CYS V 4 95 ? 35.712 36.341 -3.290 1.00 63.71 ? 105 CYS d N 1 +ATOM 37508 C CA . CYS V 4 95 ? 34.331 36.201 -2.848 1.00 54.29 ? 105 CYS d CA 1 +ATOM 37509 C C . CYS V 4 95 ? 33.367 36.501 -3.984 1.00 60.59 ? 105 CYS d C 1 +ATOM 37510 O O . CYS V 4 95 ? 32.373 35.788 -4.169 1.00 64.74 ? 105 CYS d O 1 +ATOM 37511 C CB . CYS V 4 95 ? 34.054 37.132 -1.670 1.00 58.01 ? 105 CYS d CB 1 +ATOM 37512 S SG . CYS V 4 95 ? 34.919 36.723 -0.164 1.00 61.21 ? 105 CYS d SG 1 +ATOM 37513 N N . GLN V 4 96 ? 33.649 37.555 -4.759 1.00 61.81 ? 106 GLN d N 1 +ATOM 37514 C CA . GLN V 4 96 ? 32.763 37.954 -5.848 1.00 66.49 ? 106 GLN d CA 1 +ATOM 37515 C C . GLN V 4 96 ? 32.797 36.965 -7.004 1.00 66.92 ? 106 GLN d C 1 +ATOM 37516 O O . GLN V 4 96 ? 31.839 36.908 -7.783 1.00 53.66 ? 106 GLN d O 1 +ATOM 37517 C CB . GLN V 4 96 ? 33.137 39.348 -6.355 1.00 60.19 ? 106 GLN d CB 1 +ATOM 37518 C CG . GLN V 4 96 ? 32.958 40.461 -5.333 1.00 65.35 ? 106 GLN d CG 1 +ATOM 37519 C CD . GLN V 4 96 ? 33.609 41.773 -5.768 1.00 80.33 ? 106 GLN d CD 1 +ATOM 37520 O OE1 . GLN V 4 96 ? 34.744 41.781 -6.254 1.00 62.99 ? 106 GLN d OE1 1 +ATOM 37521 N NE2 . GLN V 4 96 ? 32.887 42.889 -5.597 1.00 60.70 ? 106 GLN d NE2 1 +ATOM 37522 N N . LEU V 4 97 ? 33.881 36.202 -7.137 1.00 57.09 ? 107 LEU d N 1 +ATOM 37523 C CA . LEU V 4 97 ? 34.012 35.222 -8.204 1.00 65.24 ? 107 LEU d CA 1 +ATOM 37524 C C . LEU V 4 97 ? 33.477 33.857 -7.799 1.00 67.77 ? 107 LEU d C 1 +ATOM 37525 O O . LEU V 4 97 ? 33.450 32.946 -8.631 1.00 63.07 ? 107 LEU d O 1 +ATOM 37526 C CB . LEU V 4 97 ? 35.474 35.107 -8.646 1.00 59.94 ? 107 LEU d CB 1 +ATOM 37527 C CG . LEU V 4 97 ? 35.991 36.373 -9.334 1.00 67.80 ? 107 LEU d CG 1 +ATOM 37528 C CD1 . LEU V 4 97 ? 37.371 36.160 -9.949 1.00 65.88 ? 107 LEU d CD1 1 +ATOM 37529 C CD2 . LEU V 4 97 ? 34.996 36.848 -10.381 1.00 63.32 ? 107 LEU d CD2 1 +ATOM 37530 N N . GLY V 4 98 ? 33.036 33.706 -6.554 1.00 60.11 ? 108 GLY d N 1 +ATOM 37531 C CA . GLY V 4 98 ? 32.459 32.469 -6.087 1.00 61.94 ? 108 GLY d CA 1 +ATOM 37532 C C . GLY V 4 98 ? 33.415 31.538 -5.387 1.00 60.84 ? 108 GLY d C 1 +ATOM 37533 O O . GLY V 4 98 ? 33.045 30.387 -5.134 1.00 61.44 ? 108 GLY d O 1 +ATOM 37534 N N . GLY V 4 99 ? 34.627 31.998 -5.059 1.00 58.58 ? 109 GLY d N 1 +ATOM 37535 C CA . GLY V 4 99 ? 35.623 31.156 -4.411 1.00 46.39 ? 109 GLY d CA 1 +ATOM 37536 C C . GLY V 4 99 ? 35.175 30.542 -3.098 1.00 55.22 ? 109 GLY d C 1 +ATOM 37537 O O . GLY V 4 99 ? 35.737 29.525 -2.682 1.00 59.49 ? 109 GLY d O 1 +ATOM 37538 N N . LEU V 4 100 ? 34.178 31.126 -2.426 1.00 51.11 ? 110 LEU d N 1 +ATOM 37539 C CA . LEU V 4 100 ? 33.694 30.482 -1.208 1.00 51.45 ? 110 LEU d CA 1 +ATOM 37540 C C . LEU V 4 100 ? 33.027 29.136 -1.500 1.00 60.56 ? 110 LEU d C 1 +ATOM 37541 O O . LEU V 4 100 ? 33.046 28.243 -0.640 1.00 60.24 ? 110 LEU d O 1 +ATOM 37542 C CB . LEU V 4 100 ? 32.740 31.408 -0.448 1.00 56.52 ? 110 LEU d CB 1 +ATOM 37543 C CG . LEU V 4 100 ? 33.378 32.482 0.455 1.00 66.66 ? 110 LEU d CG 1 +ATOM 37544 C CD1 . LEU V 4 100 ? 32.297 33.272 1.219 1.00 63.57 ? 110 LEU d CD1 1 +ATOM 37545 C CD2 . LEU V 4 100 ? 34.392 31.883 1.434 1.00 57.46 ? 110 LEU d CD2 1 +ATOM 37546 N N . TRP V 4 101 ? 32.471 28.948 -2.710 1.00 58.11 ? 111 TRP d N 1 +ATOM 37547 C CA . TRP V 4 101 ? 31.803 27.683 -3.022 1.00 50.85 ? 111 TRP d CA 1 +ATOM 37548 C C . TRP V 4 101 ? 32.797 26.533 -3.043 1.00 49.95 ? 111 TRP d C 1 +ATOM 37549 O O . TRP V 4 101 ? 32.578 25.507 -2.390 1.00 56.06 ? 111 TRP d O 1 +ATOM 37550 C CB . TRP V 4 101 ? 31.037 27.755 -4.353 1.00 48.03 ? 111 TRP d CB 1 +ATOM 37551 C CG . TRP V 4 101 ? 30.149 26.524 -4.515 1.00 66.03 ? 111 TRP d CG 1 +ATOM 37552 C CD1 . TRP V 4 101 ? 28.839 26.393 -4.117 1.00 50.58 ? 111 TRP d CD1 1 +ATOM 37553 C CD2 . TRP V 4 101 ? 30.536 25.236 -5.039 1.00 49.64 ? 111 TRP d CD2 1 +ATOM 37554 N NE1 . TRP V 4 101 ? 28.394 25.111 -4.367 1.00 54.86 ? 111 TRP d NE1 1 +ATOM 37555 C CE2 . TRP V 4 101 ? 29.409 24.383 -4.931 1.00 51.78 ? 111 TRP d CE2 1 +ATOM 37556 C CE3 . TRP V 4 101 ? 31.712 24.730 -5.604 1.00 56.98 ? 111 TRP d CE3 1 +ATOM 37557 C CZ2 . TRP V 4 101 ? 29.428 23.046 -5.370 1.00 44.73 ? 111 TRP d CZ2 1 +ATOM 37558 C CZ3 . TRP V 4 101 ? 31.732 23.396 -6.037 1.00 50.77 ? 111 TRP d CZ3 1 +ATOM 37559 C CH2 . TRP V 4 101 ? 30.596 22.578 -5.914 1.00 44.88 ? 111 TRP d CH2 1 +ATOM 37560 N N . THR V 4 102 ? 33.899 26.673 -3.786 1.00 49.79 ? 112 THR d N 1 +ATOM 37561 C CA . THR V 4 102 ? 34.871 25.581 -3.781 1.00 53.83 ? 112 THR d CA 1 +ATOM 37562 C C . THR V 4 102 ? 35.531 25.450 -2.419 1.00 61.39 ? 112 THR d C 1 +ATOM 37563 O O . THR V 4 102 ? 35.919 24.345 -2.022 1.00 63.24 ? 112 THR d O 1 +ATOM 37564 C CB . THR V 4 102 ? 35.931 25.765 -4.879 1.00 66.19 ? 112 THR d CB 1 +ATOM 37565 O OG1 . THR V 4 102 ? 36.538 27.049 -4.753 1.00 59.97 ? 112 THR d OG1 1 +ATOM 37566 C CG2 . THR V 4 102 ? 35.313 25.628 -6.288 1.00 57.02 ? 112 THR d CG2 1 +ATOM 37567 N N . PHE V 4 103 ? 35.622 26.563 -1.684 1.00 55.28 ? 113 PHE d N 1 +ATOM 37568 C CA . PHE V 4 103 ? 36.158 26.550 -0.325 1.00 55.44 ? 113 PHE d CA 1 +ATOM 37569 C C . PHE V 4 103 ? 35.329 25.656 0.583 1.00 49.38 ? 113 PHE d C 1 +ATOM 37570 O O . PHE V 4 103 ? 35.865 24.809 1.304 1.00 53.77 ? 113 PHE d O 1 +ATOM 37571 C CB . PHE V 4 103 ? 36.193 27.991 0.219 1.00 54.73 ? 113 PHE d CB 1 +ATOM 37572 C CG . PHE V 4 103 ? 36.774 28.118 1.608 1.00 51.91 ? 113 PHE d CG 1 +ATOM 37573 C CD1 . PHE V 4 103 ? 38.146 28.236 1.791 1.00 62.00 ? 113 PHE d CD1 1 +ATOM 37574 C CD2 . PHE V 4 103 ? 35.951 28.165 2.713 1.00 53.62 ? 113 PHE d CD2 1 +ATOM 37575 C CE1 . PHE V 4 103 ? 38.687 28.386 3.059 1.00 59.96 ? 113 PHE d CE1 1 +ATOM 37576 C CE2 . PHE V 4 103 ? 36.476 28.300 3.995 1.00 62.50 ? 113 PHE d CE2 1 +ATOM 37577 C CZ . PHE V 4 103 ? 37.852 28.401 4.171 1.00 57.04 ? 113 PHE d CZ 1 +ATOM 37578 N N . ILE V 4 104 ? 34.015 25.859 0.583 1.00 52.42 ? 114 ILE d N 1 +ATOM 37579 C CA . ILE V 4 104 ? 33.127 25.066 1.421 1.00 50.18 ? 114 ILE d CA 1 +ATOM 37580 C C . ILE V 4 104 ? 33.053 23.629 0.917 1.00 64.49 ? 114 ILE d C 1 +ATOM 37581 O O . ILE V 4 104 ? 33.088 22.680 1.708 1.00 56.48 ? 114 ILE d O 1 +ATOM 37582 C CB . ILE V 4 104 ? 31.740 25.726 1.453 1.00 56.35 ? 114 ILE d CB 1 +ATOM 37583 C CG1 . ILE V 4 104 ? 31.814 27.072 2.186 1.00 54.91 ? 114 ILE d CG1 1 +ATOM 37584 C CG2 . ILE V 4 104 ? 30.711 24.766 2.046 1.00 58.30 ? 114 ILE d CG2 1 +ATOM 37585 C CD1 . ILE V 4 104 ? 30.661 28.000 1.862 1.00 51.81 ? 114 ILE d CD1 1 +ATOM 37586 N N . ALA V 4 105 ? 32.971 23.448 -0.412 1.00 54.04 ? 115 ALA d N 1 +ATOM 37587 C CA . ALA V 4 105 ? 32.864 22.109 -0.983 1.00 51.03 ? 115 ALA d CA 1 +ATOM 37588 C C . ALA V 4 105 ? 34.100 21.277 -0.676 1.00 51.98 ? 115 ALA d C 1 +ATOM 37589 O O . ALA V 4 105 ? 33.994 20.111 -0.298 1.00 53.69 ? 115 ALA d O 1 +ATOM 37590 C CB . ALA V 4 105 ? 32.649 22.198 -2.503 1.00 47.71 ? 115 ALA d CB 1 +ATOM 37591 N N . LEU V 4 106 ? 35.289 21.846 -0.868 1.00 53.60 ? 116 LEU d N 1 +ATOM 37592 C CA . LEU V 4 106 ? 36.497 21.046 -0.689 1.00 53.29 ? 116 LEU d CA 1 +ATOM 37593 C C . LEU V 4 106 ? 36.826 20.841 0.788 1.00 52.69 ? 116 LEU d C 1 +ATOM 37594 O O . LEU V 4 106 ? 37.185 19.730 1.187 1.00 60.60 ? 116 LEU d O 1 +ATOM 37595 C CB . LEU V 4 106 ? 37.671 21.682 -1.436 1.00 51.00 ? 116 LEU d CB 1 +ATOM 37596 C CG . LEU V 4 106 ? 37.580 21.608 -2.957 1.00 60.12 ? 116 LEU d CG 1 +ATOM 37597 C CD1 . LEU V 4 106 ? 38.611 22.519 -3.612 1.00 56.55 ? 116 LEU d CD1 1 +ATOM 37598 C CD2 . LEU V 4 106 ? 37.754 20.164 -3.429 1.00 55.54 ? 116 LEU d CD2 1 +ATOM 37599 N N . HIS V 4 107 ? 36.703 21.878 1.625 1.00 52.35 ? 117 HIS d N 1 +ATOM 37600 C CA . HIS V 4 107 ? 36.930 21.665 3.058 1.00 60.56 ? 117 HIS d CA 1 +ATOM 37601 C C . HIS V 4 107 ? 35.850 20.759 3.649 1.00 53.74 ? 117 HIS d C 1 +ATOM 37602 O O . HIS V 4 107 ? 36.131 19.962 4.553 1.00 56.02 ? 117 HIS d O 1 +ATOM 37603 C CB . HIS V 4 107 ? 36.987 23.002 3.833 1.00 50.88 ? 117 HIS d CB 1 +ATOM 37604 C CG . HIS V 4 107 ? 38.267 23.776 3.649 1.00 61.50 ? 117 HIS d CG 1 +ATOM 37605 N ND1 . HIS V 4 107 ? 38.427 24.730 2.664 1.00 53.98 ? 117 HIS d ND1 1 +ATOM 37606 C CD2 . HIS V 4 107 ? 39.444 23.733 4.321 1.00 54.72 ? 117 HIS d CD2 1 +ATOM 37607 C CE1 . HIS V 4 107 ? 39.649 25.231 2.730 1.00 57.01 ? 117 HIS d CE1 1 +ATOM 37608 N NE2 . HIS V 4 107 ? 40.287 24.645 3.727 1.00 62.35 ? 117 HIS d NE2 1 +ATOM 37609 N N . GLY V 4 108 ? 34.603 20.897 3.173 1.00 54.17 ? 118 GLY d N 1 +ATOM 37610 C CA . GLY V 4 108 ? 33.546 19.991 3.605 1.00 52.03 ? 118 GLY d CA 1 +ATOM 37611 C C . GLY V 4 108 ? 33.834 18.541 3.248 1.00 53.98 ? 118 GLY d C 1 +ATOM 37612 O O . GLY V 4 108 ? 33.591 17.631 4.048 1.00 51.95 ? 118 GLY d O 1 +ATOM 37613 N N . ALA V 4 109 ? 34.370 18.305 2.046 1.00 47.38 ? 119 ALA d N 1 +ATOM 37614 C CA . ALA V 4 109 ? 34.712 16.942 1.652 1.00 46.46 ? 119 ALA d CA 1 +ATOM 37615 C C . ALA V 4 109 ? 35.755 16.349 2.585 1.00 56.51 ? 119 ALA d C 1 +ATOM 37616 O O . ALA V 4 109 ? 35.626 15.199 3.028 1.00 56.19 ? 119 ALA d O 1 +ATOM 37617 C CB . ALA V 4 109 ? 35.209 16.909 0.204 1.00 45.75 ? 119 ALA d CB 1 +ATOM 37618 N N . PHE V 4 110 ? 36.815 17.109 2.886 1.00 53.94 ? 120 PHE d N 1 +ATOM 37619 C CA . PHE V 4 110 ? 37.848 16.555 3.763 1.00 57.60 ? 120 PHE d CA 1 +ATOM 37620 C C . PHE V 4 110 ? 37.365 16.469 5.197 1.00 57.58 ? 120 PHE d C 1 +ATOM 37621 O O . PHE V 4 110 ? 37.787 15.570 5.941 1.00 61.60 ? 120 PHE d O 1 +ATOM 37622 C CB . PHE V 4 110 ? 39.130 17.366 3.672 1.00 56.59 ? 120 PHE d CB 1 +ATOM 37623 C CG . PHE V 4 110 ? 39.889 17.121 2.410 1.00 55.74 ? 120 PHE d CG 1 +ATOM 37624 C CD1 . PHE V 4 110 ? 40.726 16.018 2.294 1.00 66.07 ? 120 PHE d CD1 1 +ATOM 37625 C CD2 . PHE V 4 110 ? 39.733 17.961 1.323 1.00 62.92 ? 120 PHE d CD2 1 +ATOM 37626 C CE1 . PHE V 4 110 ? 41.417 15.773 1.115 1.00 62.27 ? 120 PHE d CE1 1 +ATOM 37627 C CE2 . PHE V 4 110 ? 40.420 17.728 0.141 1.00 62.36 ? 120 PHE d CE2 1 +ATOM 37628 C CZ . PHE V 4 110 ? 41.264 16.634 0.042 1.00 66.76 ? 120 PHE d CZ 1 +ATOM 37629 N N . GLY V 4 111 ? 36.461 17.368 5.593 1.00 58.28 ? 121 GLY d N 1 +ATOM 37630 C CA . GLY V 4 111 ? 35.830 17.236 6.897 1.00 55.54 ? 121 GLY d CA 1 +ATOM 37631 C C . GLY V 4 111 ? 35.028 15.957 7.026 1.00 58.56 ? 121 GLY d C 1 +ATOM 37632 O O . GLY V 4 111 ? 35.052 15.304 8.075 1.00 59.58 ? 121 GLY d O 1 +ATOM 37633 N N . LEU V 4 112 ? 34.300 15.579 5.958 1.00 69.28 ? 122 LEU d N 1 +ATOM 37634 C CA . LEU V 4 112 ? 33.560 14.312 5.959 1.00 58.34 ? 122 LEU d CA 1 +ATOM 37635 C C . LEU V 4 112 ? 34.501 13.127 6.057 1.00 48.71 ? 122 LEU d C 1 +ATOM 37636 O O . LEU V 4 112 ? 34.207 12.150 6.749 1.00 50.37 ? 122 LEU d O 1 +ATOM 37637 C CB . LEU V 4 112 ? 32.693 14.193 4.703 1.00 55.55 ? 122 LEU d CB 1 +ATOM 37638 C CG . LEU V 4 112 ? 31.434 15.062 4.639 1.00 58.83 ? 122 LEU d CG 1 +ATOM 37639 C CD1 . LEU V 4 112 ? 30.776 14.973 3.275 1.00 50.73 ? 122 LEU d CD1 1 +ATOM 37640 C CD2 . LEU V 4 112 ? 30.468 14.676 5.745 1.00 51.90 ? 122 LEU d CD2 1 +ATOM 37641 N N . ILE V 4 113 ? 35.629 13.179 5.346 1.00 55.19 ? 123 ILE d N 1 +ATOM 37642 C CA . ILE V 4 113 ? 36.636 12.130 5.496 1.00 49.77 ? 123 ILE d CA 1 +ATOM 37643 C C . ILE V 4 113 ? 37.081 12.060 6.946 1.00 54.47 ? 123 ILE d C 1 +ATOM 37644 O O . ILE V 4 113 ? 37.139 10.979 7.551 1.00 57.87 ? 123 ILE d O 1 +ATOM 37645 C CB . ILE V 4 113 ? 37.832 12.382 4.558 1.00 54.82 ? 123 ILE d CB 1 +ATOM 37646 C CG1 . ILE V 4 113 ? 37.412 12.243 3.095 1.00 54.10 ? 123 ILE d CG1 1 +ATOM 37647 C CG2 . ILE V 4 113 ? 38.984 11.426 4.904 1.00 58.23 ? 123 ILE d CG2 1 +ATOM 37648 C CD1 . ILE V 4 113 ? 38.513 12.626 2.079 1.00 58.12 ? 123 ILE d CD1 1 +ATOM 37649 N N . GLY V 4 114 ? 37.350 13.231 7.542 1.00 53.21 ? 124 GLY d N 1 +ATOM 37650 C CA . GLY V 4 114 ? 37.772 13.276 8.934 1.00 51.10 ? 124 GLY d CA 1 +ATOM 37651 C C . GLY V 4 114 ? 36.746 12.719 9.905 1.00 52.39 ? 124 GLY d C 1 +ATOM 37652 O O . GLY V 4 114 ? 37.106 12.052 10.878 1.00 55.80 ? 124 GLY d O 1 +ATOM 37653 N N A PHE V 4 115 ? 35.452 12.997 9.665 0.40 50.83 ? 125 PHE d N 1 +ATOM 37654 N N B PHE V 4 115 ? 35.462 12.986 9.668 0.60 50.84 ? 125 PHE d N 1 +ATOM 37655 C CA A PHE V 4 115 ? 34.420 12.471 10.563 0.40 48.21 ? 125 PHE d CA 1 +ATOM 37656 C CA B PHE V 4 115 ? 34.451 12.455 10.578 0.60 48.09 ? 125 PHE d CA 1 +ATOM 37657 C C A PHE V 4 115 ? 34.355 10.950 10.493 0.40 52.54 ? 125 PHE d C 1 +ATOM 37658 C C B PHE V 4 115 ? 34.388 10.934 10.497 0.60 52.57 ? 125 PHE d C 1 +ATOM 37659 O O A PHE V 4 115 ? 34.204 10.275 11.521 0.40 52.82 ? 125 PHE d O 1 +ATOM 37660 O O B PHE V 4 115 ? 34.263 10.251 11.520 0.60 52.82 ? 125 PHE d O 1 +ATOM 37661 C CB A PHE V 4 115 ? 33.049 13.068 10.234 0.40 48.63 ? 125 PHE d CB 1 +ATOM 37662 C CB B PHE V 4 115 ? 33.088 13.072 10.275 0.60 48.55 ? 125 PHE d CB 1 +ATOM 37663 C CG A PHE V 4 115 ? 32.013 12.782 11.284 0.40 51.95 ? 125 PHE d CG 1 +ATOM 37664 C CG B PHE V 4 115 ? 32.047 12.740 11.291 0.60 51.91 ? 125 PHE d CG 1 +ATOM 37665 C CD1 A PHE V 4 115 ? 31.912 13.583 12.418 0.40 59.01 ? 125 PHE d CD1 1 +ATOM 37666 C CD1 B PHE V 4 115 ? 31.934 13.485 12.458 0.60 59.21 ? 125 PHE d CD1 1 +ATOM 37667 C CD2 A PHE V 4 115 ? 31.162 11.696 11.166 0.40 53.39 ? 125 PHE d CD2 1 +ATOM 37668 C CD2 B PHE V 4 115 ? 31.188 11.674 11.095 0.60 53.37 ? 125 PHE d CD2 1 +ATOM 37669 C CE1 A PHE V 4 115 ? 30.962 13.311 13.410 0.40 59.41 ? 125 PHE d CE1 1 +ATOM 37670 C CE1 B PHE V 4 115 ? 30.968 13.165 13.419 0.60 59.47 ? 125 PHE d CE1 1 +ATOM 37671 C CE2 A PHE V 4 115 ? 30.210 11.418 12.148 0.40 54.97 ? 125 PHE d CE2 1 +ATOM 37672 C CE2 B PHE V 4 115 ? 30.224 11.354 12.044 0.60 55.15 ? 125 PHE d CE2 1 +ATOM 37673 C CZ A PHE V 4 115 ? 30.108 12.220 13.268 0.40 54.14 ? 125 PHE d CZ 1 +ATOM 37674 C CZ B PHE V 4 115 ? 30.112 12.095 13.202 0.60 53.79 ? 125 PHE d CZ 1 +ATOM 37675 N N . MET V 4 116 ? 34.495 10.382 9.288 1.00 53.97 ? 126 MET d N 1 +ATOM 37676 C CA . MET V 4 116 ? 34.474 8.932 9.163 1.00 60.36 ? 126 MET d CA 1 +ATOM 37677 C C . MET V 4 116 ? 35.719 8.316 9.796 1.00 50.81 ? 126 MET d C 1 +ATOM 37678 O O . MET V 4 116 ? 35.638 7.252 10.418 1.00 55.01 ? 126 MET d O 1 +ATOM 37679 C CB . MET V 4 116 ? 34.335 8.525 7.696 1.00 49.07 ? 126 MET d CB 1 +ATOM 37680 C CG . MET V 4 116 ? 33.952 7.048 7.511 1.00 57.68 ? 126 MET d CG 1 +ATOM 37681 S SD . MET V 4 116 ? 33.494 6.706 5.784 1.00 59.81 ? 126 MET d SD 1 +ATOM 37682 C CE . MET V 4 116 ? 33.478 4.939 5.808 1.00 53.96 ? 126 MET d CE 1 +ATOM 37683 N N . LEU V 4 117 ? 36.877 8.964 9.647 1.00 52.75 ? 127 LEU d N 1 +ATOM 37684 C CA . LEU V 4 117 ? 38.070 8.467 10.320 1.00 57.53 ? 127 LEU d CA 1 +ATOM 37685 C C . LEU V 4 117 ? 37.917 8.562 11.835 1.00 57.83 ? 127 LEU d C 1 +ATOM 37686 O O . LEU V 4 117 ? 38.434 7.712 12.567 1.00 55.61 ? 127 LEU d O 1 +ATOM 37687 C CB . LEU V 4 117 ? 39.306 9.233 9.847 1.00 55.86 ? 127 LEU d CB 1 +ATOM 37688 C CG . LEU V 4 117 ? 39.876 8.879 8.466 1.00 54.60 ? 127 LEU d CG 1 +ATOM 37689 C CD1 . LEU V 4 117 ? 40.890 9.918 8.012 1.00 53.78 ? 127 LEU d CD1 1 +ATOM 37690 C CD2 . LEU V 4 117 ? 40.509 7.502 8.463 1.00 52.47 ? 127 LEU d CD2 1 +ATOM 37691 N N . ARG V 4 118 ? 37.182 9.570 12.313 1.00 54.41 ? 128 ARG d N 1 +ATOM 37692 C CA . ARG V 4 118 ? 36.876 9.658 13.736 1.00 52.49 ? 128 ARG d CA 1 +ATOM 37693 C C . ARG V 4 118 ? 36.010 8.487 14.178 1.00 60.89 ? 128 ARG d C 1 +ATOM 37694 O O . ARG V 4 118 ? 36.225 7.915 15.261 1.00 54.34 ? 128 ARG d O 1 +ATOM 37695 C CB . ARG V 4 118 ? 36.185 10.990 14.039 1.00 50.97 ? 128 ARG d CB 1 +ATOM 37696 C CG . ARG V 4 118 ? 35.640 11.135 15.457 1.00 56.66 ? 128 ARG d CG 1 +ATOM 37697 C CD . ARG V 4 118 ? 34.825 12.430 15.572 1.00 57.73 ? 128 ARG d CD 1 +ATOM 37698 N NE . ARG V 4 118 ? 34.413 12.738 16.936 1.00 63.08 ? 128 ARG d NE 1 +ATOM 37699 C CZ . ARG V 4 118 ? 35.158 13.410 17.808 1.00 69.76 ? 128 ARG d CZ 1 +ATOM 37700 N NH1 . ARG V 4 118 ? 36.397 13.782 17.519 1.00 56.42 ? 128 ARG d NH1 1 +ATOM 37701 N NH2 . ARG V 4 118 ? 34.648 13.715 18.995 1.00 57.21 ? 128 ARG d NH2 1 +ATOM 37702 N N A GLN V 4 119 ? 35.018 8.117 13.359 0.40 53.62 ? 129 GLN d N 1 +ATOM 37703 N N B GLN V 4 119 ? 35.026 8.103 13.357 0.60 53.67 ? 129 GLN d N 1 +ATOM 37704 C CA A GLN V 4 119 ? 34.192 6.963 13.705 0.40 53.65 ? 129 GLN d CA 1 +ATOM 37705 C CA B GLN V 4 119 ? 34.197 6.954 13.706 0.60 53.63 ? 129 GLN d CA 1 +ATOM 37706 C C A GLN V 4 119 ? 35.038 5.701 13.812 0.40 51.94 ? 129 GLN d C 1 +ATOM 37707 C C B GLN V 4 119 ? 35.034 5.685 13.799 0.60 51.86 ? 129 GLN d C 1 +ATOM 37708 O O A GLN V 4 119 ? 34.877 4.918 14.752 0.40 55.61 ? 129 GLN d O 1 +ATOM 37709 O O B GLN V 4 119 ? 34.836 4.864 14.702 0.60 55.71 ? 129 GLN d O 1 +ATOM 37710 C CB A GLN V 4 119 ? 33.075 6.784 12.680 0.40 53.79 ? 129 GLN d CB 1 +ATOM 37711 C CB B GLN V 4 119 ? 33.080 6.780 12.683 0.60 53.81 ? 129 GLN d CB 1 +ATOM 37712 C CG A GLN V 4 119 ? 31.960 7.833 12.742 0.40 51.71 ? 129 GLN d CG 1 +ATOM 37713 C CG B GLN V 4 119 ? 31.950 7.787 12.774 0.60 51.59 ? 129 GLN d CG 1 +ATOM 37714 C CD A GLN V 4 119 ? 31.073 7.785 11.492 0.40 55.08 ? 129 GLN d CD 1 +ATOM 37715 C CD B GLN V 4 119 ? 31.072 7.739 11.531 0.60 55.26 ? 129 GLN d CD 1 +ATOM 37716 O OE1 A GLN V 4 119 ? 31.573 7.636 10.381 0.40 53.72 ? 129 GLN d OE1 1 +ATOM 37717 O OE1 B GLN V 4 119 ? 31.579 7.595 10.420 0.60 53.76 ? 129 GLN d OE1 1 +ATOM 37718 N NE2 A GLN V 4 119 ? 29.760 7.886 11.678 0.40 53.12 ? 129 GLN d NE2 1 +ATOM 37719 N NE2 B GLN V 4 119 ? 29.758 7.836 11.714 0.60 53.19 ? 129 GLN d NE2 1 +ATOM 37720 N N . PHE V 4 120 ? 35.986 5.515 12.881 1.00 51.89 ? 130 PHE d N 1 +ATOM 37721 C CA . PHE V 4 120 ? 36.887 4.366 12.955 1.00 49.41 ? 130 PHE d CA 1 +ATOM 37722 C C . PHE V 4 120 ? 37.792 4.447 14.183 1.00 59.93 ? 130 PHE d C 1 +ATOM 37723 O O . PHE V 4 120 ? 38.050 3.430 14.843 1.00 56.44 ? 130 PHE d O 1 +ATOM 37724 C CB . PHE V 4 120 ? 37.753 4.285 11.695 1.00 57.57 ? 130 PHE d CB 1 +ATOM 37725 C CG . PHE V 4 120 ? 37.111 3.567 10.516 1.00 56.38 ? 130 PHE d CG 1 +ATOM 37726 C CD1 . PHE V 4 120 ? 36.866 2.203 10.555 1.00 57.10 ? 130 PHE d CD1 1 +ATOM 37727 C CD2 . PHE V 4 120 ? 36.816 4.256 9.347 1.00 50.30 ? 130 PHE d CD2 1 +ATOM 37728 C CE1 . PHE V 4 120 ? 36.311 1.542 9.457 1.00 63.30 ? 130 PHE d CE1 1 +ATOM 37729 C CE2 . PHE V 4 120 ? 36.266 3.596 8.242 1.00 58.38 ? 130 PHE d CE2 1 +ATOM 37730 C CZ . PHE V 4 120 ? 36.009 2.247 8.297 1.00 48.95 ? 130 PHE d CZ 1 +ATOM 37731 N N . GLU V 4 121 ? 38.308 5.650 14.480 1.00 56.01 ? 131 GLU d N 1 +ATOM 37732 C CA . GLU V 4 121 ? 39.278 5.815 15.554 1.00 57.74 ? 131 GLU d CA 1 +ATOM 37733 C C . GLU V 4 121 ? 38.629 5.546 16.907 1.00 56.71 ? 131 GLU d C 1 +ATOM 37734 O O . GLU V 4 121 ? 39.175 4.799 17.729 1.00 56.20 ? 131 GLU d O 1 +ATOM 37735 C CB . GLU V 4 121 ? 39.893 7.223 15.483 1.00 57.36 ? 131 GLU d CB 1 +ATOM 37736 C CG . GLU V 4 121 ? 41.021 7.494 16.501 1.00 58.56 ? 131 GLU d CG 1 +ATOM 37737 C CD . GLU V 4 121 ? 41.877 8.727 16.167 1.00 66.57 ? 131 GLU d CD 1 +ATOM 37738 O OE1 . GLU V 4 121 ? 41.354 9.720 15.606 1.00 56.82 ? 131 GLU d OE1 1 +ATOM 37739 O OE2 . GLU V 4 121 ? 43.093 8.698 16.450 1.00 62.73 ? 131 GLU d OE2 1 +ATOM 37740 N N A ILE V 4 122 ? 37.449 6.135 17.149 0.40 56.08 ? 132 ILE d N 1 +ATOM 37741 N N B ILE V 4 122 ? 37.442 6.103 17.137 0.60 56.10 ? 132 ILE d N 1 +ATOM 37742 C CA A ILE V 4 122 ? 36.753 5.892 18.407 0.40 57.14 ? 132 ILE d CA 1 +ATOM 37743 C CA B ILE V 4 122 ? 36.762 5.871 18.404 0.60 57.06 ? 132 ILE d CA 1 +ATOM 37744 C C A ILE V 4 122 ? 36.315 4.435 18.519 0.40 61.79 ? 132 ILE d C 1 +ATOM 37745 C C B ILE V 4 122 ? 36.301 4.416 18.518 0.60 61.88 ? 132 ILE d C 1 +ATOM 37746 O O A ILE V 4 122 ? 36.475 3.811 19.574 0.40 64.06 ? 132 ILE d O 1 +ATOM 37747 O O B ILE V 4 122 ? 36.410 3.802 19.586 0.60 64.19 ? 132 ILE d O 1 +ATOM 37748 C CB A ILE V 4 122 ? 35.576 6.875 18.550 0.40 55.67 ? 132 ILE d CB 1 +ATOM 37749 C CB B ILE V 4 122 ? 35.609 6.881 18.567 0.60 55.65 ? 132 ILE d CB 1 +ATOM 37750 C CG1 A ILE V 4 122 ? 36.119 8.298 18.665 0.40 59.25 ? 132 ILE d CG1 1 +ATOM 37751 C CG1 B ILE V 4 122 ? 36.185 8.299 18.665 0.60 59.22 ? 132 ILE d CG1 1 +ATOM 37752 C CG2 A ILE V 4 122 ? 34.722 6.546 19.767 0.40 54.46 ? 132 ILE d CG2 1 +ATOM 37753 C CG2 B ILE V 4 122 ? 34.777 6.570 19.795 0.60 54.31 ? 132 ILE d CG2 1 +ATOM 37754 C CD1 A ILE V 4 122 ? 35.057 9.382 18.630 0.40 56.65 ? 132 ILE d CD1 1 +ATOM 37755 C CD1 B ILE V 4 122 ? 35.147 9.410 18.633 0.60 56.62 ? 132 ILE d CD1 1 +ATOM 37756 N N A ALA V 4 123 ? 35.772 3.855 17.438 0.40 62.52 ? 133 ALA d N 1 +ATOM 37757 N N B ALA V 4 123 ? 35.798 3.829 17.426 0.60 62.62 ? 133 ALA d N 1 +ATOM 37758 C CA A ALA V 4 123 ? 35.373 2.449 17.498 0.40 61.20 ? 133 ALA d CA 1 +ATOM 37759 C CA B ALA V 4 123 ? 35.382 2.427 17.489 0.60 61.28 ? 133 ALA d CA 1 +ATOM 37760 C C A ALA V 4 123 ? 36.537 1.564 17.923 0.40 60.85 ? 133 ALA d C 1 +ATOM 37761 C C B ALA V 4 123 ? 36.543 1.532 17.901 0.60 60.88 ? 133 ALA d C 1 +ATOM 37762 O O A ALA V 4 123 ? 36.373 0.662 18.751 0.40 57.89 ? 133 ALA d O 1 +ATOM 37763 O O B ALA V 4 123 ? 36.378 0.605 18.701 0.60 57.75 ? 133 ALA d O 1 +ATOM 37764 C CB A ALA V 4 123 ? 34.824 1.983 16.142 0.40 55.40 ? 133 ALA d CB 1 +ATOM 37765 C CB B ALA V 4 123 ? 34.814 1.973 16.141 0.60 55.37 ? 133 ALA d CB 1 +ATOM 37766 N N . ARG V 4 124 ? 37.733 1.811 17.378 1.00 61.78 ? 134 ARG d N 1 +ATOM 37767 C CA . ARG V 4 124 ? 38.888 0.969 17.675 1.00 58.63 ? 134 ARG d CA 1 +ATOM 37768 C C . ARG V 4 124 ? 39.349 1.122 19.121 1.00 68.64 ? 134 ARG d C 1 +ATOM 37769 O O . ARG V 4 124 ? 39.799 0.144 19.727 1.00 64.18 ? 134 ARG d O 1 +ATOM 37770 C CB . ARG V 4 124 ? 40.033 1.310 16.705 1.00 63.00 ? 134 ARG d CB 1 +ATOM 37771 C CG . ARG V 4 124 ? 41.333 0.519 16.906 1.00 59.66 ? 134 ARG d CG 1 +ATOM 37772 C CD . ARG V 4 124 ? 41.197 -0.938 16.498 1.00 57.66 ? 134 ARG d CD 1 +ATOM 37773 N NE . ARG V 4 124 ? 40.559 -1.708 17.546 1.00 53.79 ? 134 ARG d NE 1 +ATOM 37774 C CZ . ARG V 4 124 ? 40.421 -3.026 17.549 1.00 67.96 ? 134 ARG d CZ 1 +ATOM 37775 N NH1 . ARG V 4 124 ? 40.775 -3.761 16.508 1.00 63.52 ? 134 ARG d NH1 1 +ATOM 37776 N NH2 . ARG V 4 124 ? 39.926 -3.623 18.632 1.00 67.18 ? 134 ARG d NH2 1 +ATOM 37777 N N . LEU V 4 125 ? 39.238 2.327 19.690 1.00 62.03 ? 135 LEU d N 1 +ATOM 37778 C CA . LEU V 4 125 ? 39.672 2.534 21.068 1.00 67.21 ? 135 LEU d CA 1 +ATOM 37779 C C . LEU V 4 125 ? 38.665 1.972 22.061 1.00 65.71 ? 135 LEU d C 1 +ATOM 37780 O O . LEU V 4 125 ? 39.054 1.348 23.051 1.00 65.22 ? 135 LEU d O 1 +ATOM 37781 C CB . LEU V 4 125 ? 39.921 4.019 21.339 1.00 69.40 ? 135 LEU d CB 1 +ATOM 37782 C CG . LEU V 4 125 ? 41.086 4.617 20.545 1.00 80.11 ? 135 LEU d CG 1 +ATOM 37783 C CD1 . LEU V 4 125 ? 41.174 6.127 20.751 1.00 86.74 ? 135 LEU d CD1 1 +ATOM 37784 C CD2 . LEU V 4 125 ? 42.406 3.925 20.895 1.00 67.90 ? 135 LEU d CD2 1 +ATOM 37785 N N A VAL V 4 126 ? 37.368 2.170 21.806 0.40 70.77 ? 136 VAL d N 1 +ATOM 37786 N N B VAL V 4 126 ? 37.374 2.168 21.801 0.60 70.93 ? 136 VAL d N 1 +ATOM 37787 C CA A VAL V 4 126 ? 36.338 1.639 22.697 0.40 63.34 ? 136 VAL d CA 1 +ATOM 37788 C CA B VAL V 4 126 ? 36.332 1.645 22.680 0.60 63.28 ? 136 VAL d CA 1 +ATOM 37789 C C A VAL V 4 126 ? 36.163 0.131 22.526 0.40 61.55 ? 136 VAL d C 1 +ATOM 37790 C C B VAL V 4 126 ? 36.180 0.125 22.534 0.60 61.43 ? 136 VAL d C 1 +ATOM 37791 O O A VAL V 4 126 ? 35.674 -0.544 23.439 0.40 62.24 ? 136 VAL d O 1 +ATOM 37792 O O B VAL V 4 126 ? 35.720 -0.545 23.464 0.60 62.14 ? 136 VAL d O 1 +ATOM 37793 C CB A VAL V 4 126 ? 35.030 2.422 22.451 0.40 64.60 ? 136 VAL d CB 1 +ATOM 37794 C CB B VAL V 4 126 ? 35.021 2.404 22.396 0.60 64.54 ? 136 VAL d CB 1 +ATOM 37795 C CG1 A VAL V 4 126 ? 33.794 1.661 22.923 0.40 77.13 ? 136 VAL d CG1 1 +ATOM 37796 C CG1 B VAL V 4 126 ? 33.793 1.642 22.866 0.60 77.32 ? 136 VAL d CG1 1 +ATOM 37797 C CG2 A VAL V 4 126 ? 35.103 3.773 23.140 0.40 74.49 ? 136 VAL d CG2 1 +ATOM 37798 C CG2 B VAL V 4 126 ? 35.069 3.763 23.057 0.60 74.58 ? 136 VAL d CG2 1 +ATOM 37799 N N A GLY V 4 127 ? 36.562 -0.420 21.383 0.40 63.21 ? 137 GLY d N 1 +ATOM 37800 N N B GLY V 4 127 ? 36.573 -0.445 21.396 0.60 63.17 ? 137 GLY d N 1 +ATOM 37801 C CA A GLY V 4 127 ? 36.428 -1.848 21.146 0.40 63.56 ? 137 GLY d CA 1 +ATOM 37802 C CA B GLY V 4 127 ? 36.452 -1.880 21.193 0.60 63.39 ? 137 GLY d CA 1 +ATOM 37803 C C A GLY V 4 127 ? 35.086 -2.306 20.598 0.40 67.96 ? 137 GLY d C 1 +ATOM 37804 C C B GLY V 4 127 ? 35.139 -2.379 20.608 0.60 68.03 ? 137 GLY d C 1 +ATOM 37805 O O A GLY V 4 127 ? 34.579 -3.352 21.007 0.40 62.38 ? 137 GLY d O 1 +ATOM 37806 O O B GLY V 4 127 ? 34.682 -3.464 20.976 0.60 62.08 ? 137 GLY d O 1 +ATOM 37807 N N A VAL V 4 128 ? 34.485 -1.555 19.676 0.40 63.35 ? 138 VAL d N 1 +ATOM 37808 N N B VAL V 4 128 ? 34.523 -1.629 19.691 0.60 63.49 ? 138 VAL d N 1 +ATOM 37809 C CA A VAL V 4 128 ? 33.236 -1.979 19.056 0.40 63.91 ? 138 VAL d CA 1 +ATOM 37810 C CA B VAL V 4 128 ? 33.282 -2.054 19.053 0.60 64.02 ? 138 VAL d CA 1 +ATOM 37811 C C A VAL V 4 128 ? 33.478 -2.206 17.568 0.40 59.68 ? 138 VAL d C 1 +ATOM 37812 C C B VAL V 4 128 ? 33.526 -2.236 17.557 0.60 59.72 ? 138 VAL d C 1 +ATOM 37813 O O A VAL V 4 128 ? 34.489 -1.782 17.004 0.40 61.38 ? 138 VAL d O 1 +ATOM 37814 O O B VAL V 4 128 ? 34.551 -1.822 17.012 0.60 61.55 ? 138 VAL d O 1 +ATOM 37815 C CB A VAL V 4 128 ? 32.085 -0.972 19.290 0.40 62.30 ? 138 VAL d CB 1 +ATOM 37816 C CB B VAL V 4 128 ? 32.113 -1.077 19.311 0.60 62.31 ? 138 VAL d CB 1 +ATOM 37817 C CG1 A VAL V 4 128 ? 31.715 -0.937 20.772 0.40 61.69 ? 138 VAL d CG1 1 +ATOM 37818 C CG1 B VAL V 4 128 ? 31.795 -1.003 20.803 0.60 61.71 ? 138 VAL d CG1 1 +ATOM 37819 C CG2 A VAL V 4 128 ? 32.457 0.420 18.796 0.40 56.48 ? 138 VAL d CG2 1 +ATOM 37820 C CG2 B VAL V 4 128 ? 32.413 0.319 18.735 0.60 56.37 ? 138 VAL d CG2 1 +ATOM 37821 N N A ARG V 4 129 ? 32.546 -2.911 16.934 0.40 59.85 ? 139 ARG d N 1 +ATOM 37822 N N B ARG V 4 129 ? 32.576 -2.894 16.898 0.60 59.82 ? 139 ARG d N 1 +ATOM 37823 C CA A ARG V 4 129 ? 32.627 -3.069 15.490 0.40 61.71 ? 139 ARG d CA 1 +ATOM 37824 C CA B ARG V 4 129 ? 32.686 -3.080 15.458 0.60 61.67 ? 139 ARG d CA 1 +ATOM 37825 C C A ARG V 4 129 ? 32.331 -1.733 14.817 0.40 60.37 ? 139 ARG d C 1 +ATOM 37826 C C B ARG V 4 129 ? 32.409 -1.758 14.748 0.60 60.43 ? 139 ARG d C 1 +ATOM 37827 O O A ARG V 4 129 ? 31.552 -0.930 15.334 0.40 57.71 ? 139 ARG d O 1 +ATOM 37828 O O B ARG V 4 129 ? 31.574 -0.976 15.202 0.60 57.49 ? 139 ARG d O 1 +ATOM 37829 C CB A ARG V 4 129 ? 31.655 -4.139 15.011 0.40 62.38 ? 139 ARG d CB 1 +ATOM 37830 C CB B ARG V 4 129 ? 31.716 -4.156 14.980 0.60 62.35 ? 139 ARG d CB 1 +ATOM 37831 C CG A ARG V 4 129 ? 31.844 -5.466 15.733 0.40 69.72 ? 139 ARG d CG 1 +ATOM 37832 C CG B ARG V 4 129 ? 31.829 -5.442 15.785 0.60 69.91 ? 139 ARG d CG 1 +ATOM 37833 C CD A ARG V 4 129 ? 30.546 -6.238 15.782 0.40 57.91 ? 139 ARG d CD 1 +ATOM 37834 C CD B ARG V 4 129 ? 30.529 -6.208 15.781 0.60 57.71 ? 139 ARG d CD 1 +ATOM 37835 N NE A ARG V 4 129 ? 30.475 -7.246 14.739 0.40 63.60 ? 139 ARG d NE 1 +ATOM 37836 N NE B ARG V 4 129 ? 30.443 -7.153 14.683 0.60 63.44 ? 139 ARG d NE 1 +ATOM 37837 C CZ A ARG V 4 129 ? 29.344 -7.649 14.182 0.40 74.66 ? 139 ARG d CZ 1 +ATOM 37838 C CZ B ARG V 4 129 ? 29.301 -7.591 14.175 0.60 74.86 ? 139 ARG d CZ 1 +ATOM 37839 N NH1 A ARG V 4 129 ? 28.184 -7.083 14.485 0.40 67.38 ? 139 ARG d NH1 1 +ATOM 37840 N NH1 B ARG V 4 129 ? 28.133 -7.126 14.596 0.60 67.37 ? 139 ARG d NH1 1 +ATOM 37841 N NH2 A ARG V 4 129 ? 29.377 -8.639 13.295 0.40 80.91 ? 139 ARG d NH2 1 +ATOM 37842 N NH2 B ARG V 4 129 ? 29.329 -8.512 13.215 0.60 81.52 ? 139 ARG d NH2 1 +ATOM 37843 N N A PRO V 4 130 ? 32.957 -1.447 13.691 0.40 52.59 ? 140 PRO d N 1 +ATOM 37844 N N B PRO V 4 130 ? 33.087 -1.476 13.651 0.60 52.49 ? 140 PRO d N 1 +ATOM 37845 C CA A PRO V 4 130 ? 32.895 -0.115 13.054 0.40 52.36 ? 140 PRO d CA 1 +ATOM 37846 C CA B PRO V 4 130 ? 32.936 -0.152 13.036 0.60 52.29 ? 140 PRO d CA 1 +ATOM 37847 C C A PRO V 4 130 ? 31.689 0.023 12.087 0.40 55.13 ? 140 PRO d C 1 +ATOM 37848 C C B PRO V 4 130 ? 31.741 -0.023 12.089 0.60 55.25 ? 140 PRO d C 1 +ATOM 37849 O O A PRO V 4 130 ? 31.854 0.556 10.977 0.40 51.97 ? 140 PRO d O 1 +ATOM 37850 O O B PRO V 4 130 ? 31.888 0.551 11.004 0.60 51.98 ? 140 PRO d O 1 +ATOM 37851 C CB A PRO V 4 130 ? 34.194 0.027 12.395 0.40 55.68 ? 140 PRO d CB 1 +ATOM 37852 C CB B PRO V 4 130 ? 34.271 0.020 12.301 0.60 55.64 ? 140 PRO d CB 1 +ATOM 37853 C CG A PRO V 4 130 ? 34.558 -1.360 11.978 0.40 51.81 ? 140 PRO d CG 1 +ATOM 37854 C CG B PRO V 4 130 ? 34.643 -1.370 11.918 0.60 51.76 ? 140 PRO d CG 1 +ATOM 37855 C CD A PRO V 4 130 ? 33.970 -2.286 13.014 0.40 53.28 ? 140 PRO d CD 1 +ATOM 37856 C CD B PRO V 4 130 ? 34.112 -2.290 12.974 0.60 53.05 ? 140 PRO d CD 1 +ATOM 37857 N N A TYR V 4 131 ? 30.504 -0.444 12.474 0.40 56.25 ? 141 TYR d N 1 +ATOM 37858 N N B TYR V 4 131 ? 30.552 -0.502 12.471 0.60 56.39 ? 141 TYR d N 1 +ATOM 37859 C CA A TYR V 4 131 ? 29.367 -0.364 11.563 0.40 48.05 ? 141 TYR d CA 1 +ATOM 37860 C CA B TYR V 4 131 ? 29.407 -0.415 11.559 0.60 47.91 ? 141 TYR d CA 1 +ATOM 37861 C C A TYR V 4 131 ? 28.806 1.041 11.451 0.40 50.68 ? 141 TYR d C 1 +ATOM 37862 C C B TYR V 4 131 ? 28.827 0.986 11.482 0.60 50.54 ? 141 TYR d C 1 +ATOM 37863 O O A TYR V 4 131 ? 28.193 1.367 10.430 0.40 52.15 ? 141 TYR d O 1 +ATOM 37864 O O B TYR V 4 131 ? 28.137 1.303 10.507 0.60 52.33 ? 141 TYR d O 1 +ATOM 37865 C CB A TYR V 4 131 ? 28.259 -1.341 11.975 0.40 51.90 ? 141 TYR d CB 1 +ATOM 37866 C CB B TYR V 4 131 ? 28.306 -1.404 11.953 0.60 51.93 ? 141 TYR d CB 1 +ATOM 37867 C CG A TYR V 4 131 ? 28.609 -2.765 11.594 0.40 55.41 ? 141 TYR d CG 1 +ATOM 37868 C CG B TYR V 4 131 ? 28.641 -2.830 11.568 0.60 55.32 ? 141 TYR d CG 1 +ATOM 37869 C CD1 A TYR V 4 131 ? 28.217 -3.310 10.375 0.40 55.85 ? 141 TYR d CD1 1 +ATOM 37870 C CD1 B TYR V 4 131 ? 28.266 -3.353 10.336 0.60 55.86 ? 141 TYR d CD1 1 +ATOM 37871 C CD2 A TYR V 4 131 ? 29.389 -3.538 12.429 0.40 61.54 ? 141 TYR d CD2 1 +ATOM 37872 C CD2 B TYR V 4 131 ? 29.360 -3.641 12.427 0.60 61.72 ? 141 TYR d CD2 1 +ATOM 37873 C CE1 A TYR V 4 131 ? 28.583 -4.613 10.023 0.40 61.08 ? 141 TYR d CE1 1 +ATOM 37874 C CE1 B TYR V 4 131 ? 28.595 -4.666 9.981 0.60 60.99 ? 141 TYR d CE1 1 +ATOM 37875 C CE2 A TYR V 4 131 ? 29.753 -4.827 12.092 0.40 66.98 ? 141 TYR d CE2 1 +ATOM 37876 C CE2 B TYR V 4 131 ? 29.692 -4.944 12.088 0.60 67.08 ? 141 TYR d CE2 1 +ATOM 37877 C CZ A TYR V 4 131 ? 29.355 -5.360 10.899 0.40 66.57 ? 141 TYR d CZ 1 +ATOM 37878 C CZ B TYR V 4 131 ? 29.312 -5.450 10.873 0.60 66.68 ? 141 TYR d CZ 1 +ATOM 37879 O OH A TYR V 4 131 ? 29.748 -6.649 10.616 0.40 71.66 ? 141 TYR d OH 1 +ATOM 37880 O OH B TYR V 4 131 ? 29.651 -6.744 10.557 0.60 72.22 ? 141 TYR d OH 1 +ATOM 37881 N N A ASN V 4 132 ? 29.008 1.886 12.465 0.40 54.83 ? 142 ASN d N 1 +ATOM 37882 N N B ASN V 4 132 ? 29.077 1.832 12.480 0.60 54.89 ? 142 ASN d N 1 +ATOM 37883 C CA A ASN V 4 132 ? 28.597 3.277 12.333 0.40 51.69 ? 142 ASN d CA 1 +ATOM 37884 C CA B ASN V 4 132 ? 28.655 3.224 12.361 0.60 51.74 ? 142 ASN d CA 1 +ATOM 37885 C C A ASN V 4 132 ? 29.388 3.963 11.225 0.40 49.75 ? 142 ASN d C 1 +ATOM 37886 C C B ASN V 4 132 ? 29.408 3.923 11.232 0.60 49.61 ? 142 ASN d C 1 +ATOM 37887 O O A ASN V 4 132 ? 28.821 4.713 10.423 0.40 53.81 ? 142 ASN d O 1 +ATOM 37888 O O B ASN V 4 132 ? 28.808 4.654 10.436 0.60 54.00 ? 142 ASN d O 1 +ATOM 37889 C CB A ASN V 4 132 ? 28.755 4.001 13.679 0.40 53.26 ? 142 ASN d CB 1 +ATOM 37890 C CB B ASN V 4 132 ? 28.849 3.944 13.696 0.60 53.08 ? 142 ASN d CB 1 +ATOM 37891 C CG A ASN V 4 132 ? 28.278 5.447 13.624 0.40 63.62 ? 142 ASN d CG 1 +ATOM 37892 C CG B ASN V 4 132 ? 28.363 5.380 13.655 0.60 63.83 ? 142 ASN d CG 1 +ATOM 37893 O OD1 A ASN V 4 132 ? 29.052 6.390 13.858 0.40 60.03 ? 142 ASN d OD1 1 +ATOM 37894 O OD1 B ASN V 4 132 ? 29.119 6.319 13.928 0.60 59.99 ? 142 ASN d OD1 1 +ATOM 37895 N ND2 A ASN V 4 132 ? 27.002 5.633 13.269 0.40 58.37 ? 142 ASN d ND2 1 +ATOM 37896 N ND2 B ASN V 4 132 ? 27.096 5.562 13.284 0.60 58.44 ? 142 ASN d ND2 1 +ATOM 37897 N N A ALA V 4 133 ? 30.694 3.694 11.135 0.40 49.97 ? 143 ALA d N 1 +ATOM 37898 N N B ALA V 4 133 ? 30.719 3.692 11.127 0.60 49.87 ? 143 ALA d N 1 +ATOM 37899 C CA A ALA V 4 133 ? 31.475 4.272 10.041 0.40 53.44 ? 143 ALA d CA 1 +ATOM 37900 C CA B ALA V 4 133 ? 31.477 4.280 10.027 0.60 53.46 ? 143 ALA d CA 1 +ATOM 37901 C C A ALA V 4 133 ? 31.020 3.719 8.691 0.40 53.50 ? 143 ALA d C 1 +ATOM 37902 C C B ALA V 4 133 ? 31.013 3.726 8.683 0.60 53.56 ? 143 ALA d C 1 +ATOM 37903 O O A ALA V 4 133 ? 30.897 4.467 7.714 0.40 54.18 ? 143 ALA d O 1 +ATOM 37904 O O B ALA V 4 133 ? 30.843 4.477 7.716 0.60 54.26 ? 143 ALA d O 1 +ATOM 37905 C CB A ALA V 4 133 ? 32.971 4.014 10.246 0.40 49.77 ? 143 ALA d CB 1 +ATOM 37906 C CB B ALA V 4 133 ? 32.976 4.039 10.226 0.60 49.67 ? 143 ALA d CB 1 +ATOM 37907 N N A ILE V 4 134 ? 30.778 2.408 8.620 0.40 51.68 ? 144 ILE d N 1 +ATOM 37908 N N B ILE V 4 134 ? 30.779 2.416 8.611 0.60 51.69 ? 144 ILE d N 1 +ATOM 37909 C CA A ILE V 4 134 ? 30.289 1.797 7.388 0.40 52.88 ? 144 ILE d CA 1 +ATOM 37910 C CA B ILE V 4 134 ? 30.317 1.805 7.369 0.60 52.90 ? 144 ILE d CA 1 +ATOM 37911 C C A ILE V 4 134 ? 28.988 2.459 6.943 0.40 50.61 ? 144 ILE d C 1 +ATOM 37912 C C B ILE V 4 134 ? 28.991 2.416 6.930 0.60 50.62 ? 144 ILE d C 1 +ATOM 37913 O O A ILE V 4 134 ? 28.832 2.815 5.774 0.40 52.45 ? 144 ILE d O 1 +ATOM 37914 O O B ILE V 4 134 ? 28.773 2.665 5.741 0.60 52.55 ? 144 ILE d O 1 +ATOM 37915 C CB A ILE V 4 134 ? 30.151 0.272 7.588 0.40 54.25 ? 144 ILE d CB 1 +ATOM 37916 C CB B ILE V 4 134 ? 30.234 0.274 7.543 0.60 54.44 ? 144 ILE d CB 1 +ATOM 37917 C CG1 A ILE V 4 134 ? 31.550 -0.362 7.603 0.40 52.05 ? 144 ILE d CG1 1 +ATOM 37918 C CG1 B ILE V 4 134 ? 31.642 -0.319 7.463 0.60 51.92 ? 144 ILE d CG1 1 +ATOM 37919 C CG2 A ILE V 4 134 ? 29.285 -0.379 6.501 0.40 48.05 ? 144 ILE d CG2 1 +ATOM 37920 C CG2 B ILE V 4 134 ? 29.298 -0.361 6.511 0.60 48.03 ? 144 ILE d CG2 1 +ATOM 37921 C CD1 A ILE V 4 134 ? 31.579 -1.702 8.226 0.40 58.90 ? 144 ILE d CD1 1 +ATOM 37922 C CD1 B ILE V 4 134 ? 31.735 -1.706 7.970 0.60 59.70 ? 144 ILE d CD1 1 +ATOM 37923 N N A ALA V 4 135 ? 28.060 2.689 7.876 0.40 48.98 ? 145 ALA d N 1 +ATOM 37924 N N B ALA V 4 135 ? 28.094 2.691 7.881 0.60 48.97 ? 145 ALA d N 1 +ATOM 37925 C CA A ALA V 4 135 ? 26.791 3.323 7.527 0.40 48.69 ? 145 ALA d CA 1 +ATOM 37926 C CA B ALA V 4 135 ? 26.818 3.301 7.524 0.60 48.65 ? 145 ALA d CA 1 +ATOM 37927 C C A ALA V 4 135 ? 26.996 4.733 7.004 0.40 55.59 ? 145 ALA d C 1 +ATOM 37928 C C B ALA V 4 135 ? 27.013 4.718 7.006 0.60 55.76 ? 145 ALA d C 1 +ATOM 37929 O O A ALA V 4 135 ? 26.183 5.230 6.211 0.40 54.53 ? 145 ALA d O 1 +ATOM 37930 O O B ALA V 4 135 ? 26.202 5.210 6.209 0.60 54.73 ? 145 ALA d O 1 +ATOM 37931 C CB A ALA V 4 135 ? 25.860 3.361 8.745 0.40 42.84 ? 145 ALA d CB 1 +ATOM 37932 C CB B ALA V 4 135 ? 25.875 3.298 8.732 0.60 42.69 ? 145 ALA d CB 1 +ATOM 37933 N N A PHE V 4 136 ? 28.056 5.404 7.455 0.40 55.09 ? 146 PHE d N 1 +ATOM 37934 N N B PHE V 4 136 ? 28.081 5.386 7.444 0.60 55.24 ? 146 PHE d N 1 +ATOM 37935 C CA A PHE V 4 136 ? 28.314 6.777 7.052 0.40 51.23 ? 146 PHE d CA 1 +ATOM 37936 C CA B PHE V 4 136 ? 28.340 6.761 7.058 0.60 51.19 ? 146 PHE d CA 1 +ATOM 37937 C C A PHE V 4 136 ? 28.848 6.889 5.627 0.40 51.76 ? 146 PHE d C 1 +ATOM 37938 C C B PHE V 4 136 ? 28.888 6.885 5.639 0.60 51.84 ? 146 PHE d C 1 +ATOM 37939 O O A PHE V 4 136 ? 28.903 8.000 5.089 0.40 51.63 ? 146 PHE d O 1 +ATOM 37940 O O B PHE V 4 136 ? 28.987 8.001 5.119 0.60 51.71 ? 146 PHE d O 1 +ATOM 37941 C CB A PHE V 4 136 ? 29.288 7.433 8.037 0.40 47.64 ? 146 PHE d CB 1 +ATOM 37942 C CB B PHE V 4 136 ? 29.305 7.402 8.060 0.60 47.47 ? 146 PHE d CB 1 +ATOM 37943 C CG A PHE V 4 136 ? 29.290 8.935 7.968 0.40 49.26 ? 146 PHE d CG 1 +ATOM 37944 C CG B PHE V 4 136 ? 29.311 8.897 8.010 0.60 49.18 ? 146 PHE d CG 1 +ATOM 37945 C CD1 A PHE V 4 136 ? 28.161 9.651 8.331 0.40 55.17 ? 146 PHE d CD1 1 +ATOM 37946 C CD1 B PHE V 4 136 ? 28.177 9.610 8.361 0.60 55.25 ? 146 PHE d CD1 1 +ATOM 37947 C CD2 A PHE V 4 136 ? 30.407 9.626 7.531 0.40 43.92 ? 146 PHE d CD2 1 +ATOM 37948 C CD2 B PHE V 4 136 ? 30.437 9.585 7.599 0.60 43.71 ? 146 PHE d CD2 1 +ATOM 37949 C CE1 A PHE V 4 136 ? 28.143 11.024 8.267 0.40 54.31 ? 146 PHE d CE1 1 +ATOM 37950 C CE1 B PHE V 4 136 ? 28.168 10.997 8.311 0.60 54.33 ? 146 PHE d CE1 1 +ATOM 37951 C CE2 A PHE V 4 136 ? 30.401 11.010 7.467 0.40 53.11 ? 146 PHE d CE2 1 +ATOM 37952 C CE2 B PHE V 4 136 ? 30.441 10.971 7.543 0.60 53.21 ? 146 PHE d CE2 1 +ATOM 37953 C CZ A PHE V 4 136 ? 29.265 11.711 7.846 0.40 53.46 ? 146 PHE d CZ 1 +ATOM 37954 C CZ B PHE V 4 136 ? 29.305 11.679 7.906 0.60 53.45 ? 146 PHE d CZ 1 +ATOM 37955 N N . SER V 4 137 ? 29.249 5.775 5.002 1.00 52.10 ? 147 SER d N 1 +ATOM 37956 C CA . SER V 4 137 ? 29.639 5.824 3.597 1.00 52.63 ? 147 SER d CA 1 +ATOM 37957 C C . SER V 4 137 ? 28.501 6.311 2.709 1.00 56.44 ? 147 SER d C 1 +ATOM 37958 O O . SER V 4 137 ? 28.760 6.837 1.618 1.00 51.31 ? 147 SER d O 1 +ATOM 37959 C CB . SER V 4 137 ? 30.099 4.444 3.114 1.00 50.65 ? 147 SER d CB 1 +ATOM 37960 O OG . SER V 4 137 ? 29.029 3.514 3.161 1.00 45.66 ? 147 SER d OG 1 +ATOM 37961 N N A ALA V 4 138 ? 27.240 6.148 3.148 0.40 45.55 ? 148 ALA d N 1 +ATOM 37962 N N B ALA V 4 138 ? 27.245 6.142 3.145 0.60 45.47 ? 148 ALA d N 1 +ATOM 37963 C CA A ALA V 4 138 ? 26.125 6.562 2.298 0.40 46.52 ? 148 ALA d CA 1 +ATOM 37964 C CA B ALA V 4 138 ? 26.131 6.567 2.298 0.60 46.47 ? 148 ALA d CA 1 +ATOM 37965 C C A ALA V 4 138 ? 26.018 8.077 2.212 0.40 48.02 ? 148 ALA d C 1 +ATOM 37966 C C B ALA V 4 138 ? 26.034 8.084 2.225 0.60 48.04 ? 148 ALA d C 1 +ATOM 37967 O O A ALA V 4 138 ? 25.916 8.599 1.090 0.40 48.50 ? 148 ALA d O 1 +ATOM 37968 O O B ALA V 4 138 ? 25.943 8.620 1.105 0.60 48.57 ? 148 ALA d O 1 +ATOM 37969 C CB A ALA V 4 138 ? 24.822 5.911 2.778 0.40 44.83 ? 148 ALA d CB 1 +ATOM 37970 C CB B ALA V 4 138 ? 24.826 5.919 2.776 0.60 44.81 ? 148 ALA d CB 1 +ATOM 37971 N N A PRO V 4 139 ? 26.031 8.841 3.321 0.40 50.33 ? 149 PRO d N 1 +ATOM 37972 N N B PRO V 4 139 ? 26.039 8.836 3.343 0.60 50.37 ? 149 PRO d N 1 +ATOM 37973 C CA A PRO V 4 139 ? 26.062 10.305 3.187 0.40 52.28 ? 149 PRO d CA 1 +ATOM 37974 C CA B PRO V 4 139 ? 26.089 10.302 3.224 0.60 52.35 ? 149 PRO d CA 1 +ATOM 37975 C C A PRO V 4 139 ? 27.246 10.808 2.386 0.40 52.49 ? 149 PRO d C 1 +ATOM 37976 C C B PRO V 4 139 ? 27.253 10.798 2.383 0.60 52.53 ? 149 PRO d C 1 +ATOM 37977 O O A PRO V 4 139 ? 27.116 11.782 1.634 0.40 51.24 ? 149 PRO d O 1 +ATOM 37978 O O B PRO V 4 139 ? 27.100 11.756 1.611 0.60 51.27 ? 149 PRO d O 1 +ATOM 37979 C CB A PRO V 4 139 ? 26.133 10.788 4.647 0.40 53.03 ? 149 PRO d CB 1 +ATOM 37980 C CB B PRO V 4 139 ? 26.211 10.761 4.683 0.60 53.05 ? 149 PRO d CB 1 +ATOM 37981 C CG A PRO V 4 139 ? 25.549 9.698 5.433 0.40 53.97 ? 149 PRO d CG 1 +ATOM 37982 C CG B PRO V 4 139 ? 25.562 9.680 5.474 0.60 54.00 ? 149 PRO d CG 1 +ATOM 37983 C CD A PRO V 4 139 ? 25.832 8.431 4.730 0.40 51.08 ? 149 PRO d CD 1 +ATOM 37984 C CD B PRO V 4 139 ? 25.832 8.411 4.746 0.60 51.07 ? 149 PRO d CD 1 +ATOM 37985 N N . ILE V 4 140 ? 28.417 10.166 2.507 1.00 43.06 ? 150 ILE d N 1 +ATOM 37986 C CA . ILE V 4 140 ? 29.577 10.586 1.716 1.00 52.76 ? 150 ILE d CA 1 +ATOM 37987 C C . ILE V 4 140 ? 29.354 10.321 0.229 1.00 53.63 ? 150 ILE d C 1 +ATOM 37988 O O . ILE V 4 140 ? 29.648 11.174 -0.619 1.00 54.82 ? 150 ILE d O 1 +ATOM 37989 C CB . ILE V 4 140 ? 30.855 9.897 2.223 1.00 63.85 ? 150 ILE d CB 1 +ATOM 37990 C CG1 . ILE V 4 140 ? 31.252 10.518 3.567 1.00 58.29 ? 150 ILE d CG1 1 +ATOM 37991 C CG2 . ILE V 4 140 ? 31.990 10.001 1.182 1.00 48.09 ? 150 ILE d CG2 1 +ATOM 37992 C CD1 . ILE V 4 140 ? 32.454 9.876 4.182 1.00 60.55 ? 150 ILE d CD1 1 +ATOM 37993 N N . ALA V 4 141 ? 28.853 9.126 -0.111 1.00 50.99 ? 151 ALA d N 1 +ATOM 37994 C CA . ALA V 4 141 ? 28.532 8.830 -1.504 1.00 54.01 ? 151 ALA d CA 1 +ATOM 37995 C C . ALA V 4 141 ? 27.584 9.875 -2.074 1.00 45.47 ? 151 ALA d C 1 +ATOM 37996 O O . ALA V 4 141 ? 27.779 10.361 -3.195 1.00 47.74 ? 151 ALA d O 1 +ATOM 37997 C CB . ALA V 4 141 ? 27.923 7.427 -1.612 1.00 50.13 ? 151 ALA d CB 1 +ATOM 37998 N N . VAL V 4 142 ? 26.571 10.262 -1.299 1.00 42.59 ? 152 VAL d N 1 +ATOM 37999 C CA . VAL V 4 142 ? 25.657 11.300 -1.753 1.00 44.87 ? 152 VAL d CA 1 +ATOM 38000 C C . VAL V 4 142 ? 26.407 12.609 -1.965 1.00 55.06 ? 152 VAL d C 1 +ATOM 38001 O O . VAL V 4 142 ? 26.305 13.239 -3.026 1.00 52.55 ? 152 VAL d O 1 +ATOM 38002 C CB . VAL V 4 142 ? 24.495 11.466 -0.761 1.00 46.66 ? 152 VAL d CB 1 +ATOM 38003 C CG1 . VAL V 4 142 ? 23.699 12.738 -1.101 1.00 48.64 ? 152 VAL d CG1 1 +ATOM 38004 C CG2 . VAL V 4 142 ? 23.610 10.236 -0.810 1.00 44.10 ? 152 VAL d CG2 1 +ATOM 38005 N N . PHE V 4 143 ? 27.194 13.031 -0.971 1.00 51.63 ? 153 PHE d N 1 +ATOM 38006 C CA . PHE V 4 143 ? 27.858 14.323 -1.105 1.00 50.69 ? 153 PHE d CA 1 +ATOM 38007 C C . PHE V 4 143 ? 28.824 14.330 -2.283 1.00 49.68 ? 153 PHE d C 1 +ATOM 38008 O O . PHE V 4 143 ? 28.867 15.294 -3.052 1.00 49.21 ? 153 PHE d O 1 +ATOM 38009 C CB . PHE V 4 143 ? 28.588 14.707 0.184 1.00 48.92 ? 153 PHE d CB 1 +ATOM 38010 C CG . PHE V 4 143 ? 29.276 16.026 0.084 1.00 54.89 ? 153 PHE d CG 1 +ATOM 38011 C CD1 . PHE V 4 143 ? 28.561 17.191 0.258 1.00 47.43 ? 153 PHE d CD1 1 +ATOM 38012 C CD2 . PHE V 4 143 ? 30.621 16.103 -0.266 1.00 45.72 ? 153 PHE d CD2 1 +ATOM 38013 C CE1 . PHE V 4 143 ? 29.176 18.417 0.125 1.00 58.32 ? 153 PHE d CE1 1 +ATOM 38014 C CE2 . PHE V 4 143 ? 31.245 17.316 -0.387 1.00 58.61 ? 153 PHE d CE2 1 +ATOM 38015 C CZ . PHE V 4 143 ? 30.527 18.478 -0.198 1.00 51.97 ? 153 PHE d CZ 1 +ATOM 38016 N N . VAL V 4 144 ? 29.602 13.263 -2.444 1.00 51.13 ? 154 VAL d N 1 +ATOM 38017 C CA . VAL V 4 144 ? 30.612 13.239 -3.497 1.00 51.33 ? 154 VAL d CA 1 +ATOM 38018 C C . VAL V 4 144 ? 29.960 13.266 -4.876 1.00 55.23 ? 154 VAL d C 1 +ATOM 38019 O O . VAL V 4 144 ? 30.450 13.921 -5.806 1.00 54.46 ? 154 VAL d O 1 +ATOM 38020 C CB . VAL V 4 144 ? 31.514 12.002 -3.316 1.00 61.79 ? 154 VAL d CB 1 +ATOM 38021 C CG1 . VAL V 4 144 ? 32.207 11.641 -4.621 1.00 61.69 ? 154 VAL d CG1 1 +ATOM 38022 C CG2 . VAL V 4 144 ? 32.538 12.254 -2.208 1.00 55.68 ? 154 VAL d CG2 1 +ATOM 38023 N N . SER V 4 145 ? 28.852 12.551 -5.039 1.00 47.17 ? 155 SER d N 1 +ATOM 38024 C CA . SER V 4 145 ? 28.300 12.410 -6.378 1.00 50.88 ? 155 SER d CA 1 +ATOM 38025 C C . SER V 4 145 ? 27.488 13.642 -6.769 1.00 49.53 ? 155 SER d C 1 +ATOM 38026 O O . SER V 4 145 ? 27.560 14.092 -7.918 1.00 49.58 ? 155 SER d O 1 +ATOM 38027 C CB . SER V 4 145 ? 27.463 11.126 -6.472 1.00 54.49 ? 155 SER d CB 1 +ATOM 38028 O OG . SER V 4 145 ? 26.260 11.242 -5.733 1.00 57.11 ? 155 SER d OG 1 +ATOM 38029 N N . VAL V 4 146 ? 26.749 14.221 -5.823 1.00 46.95 ? 156 VAL d N 1 +ATOM 38030 C CA . VAL V 4 146 ? 25.943 15.403 -6.122 1.00 46.90 ? 156 VAL d CA 1 +ATOM 38031 C C . VAL V 4 146 ? 26.800 16.663 -6.219 1.00 55.68 ? 156 VAL d C 1 +ATOM 38032 O O . VAL V 4 146 ? 26.579 17.513 -7.090 1.00 49.62 ? 156 VAL d O 1 +ATOM 38033 C CB . VAL V 4 146 ? 24.842 15.585 -5.063 1.00 58.53 ? 156 VAL d CB 1 +ATOM 38034 C CG1 . VAL V 4 146 ? 24.045 16.851 -5.361 1.00 60.46 ? 156 VAL d CG1 1 +ATOM 38035 C CG2 . VAL V 4 146 ? 23.928 14.381 -5.017 1.00 51.17 ? 156 VAL d CG2 1 +ATOM 38036 N N . PHE V 4 147 ? 27.749 16.845 -5.306 1.00 50.05 ? 157 PHE d N 1 +ATOM 38037 C CA . PHE V 4 147 ? 28.432 18.133 -5.222 1.00 60.74 ? 157 PHE d CA 1 +ATOM 38038 C C . PHE V 4 147 ? 29.732 18.171 -5.998 1.00 47.51 ? 157 PHE d C 1 +ATOM 38039 O O . PHE V 4 147 ? 30.203 19.267 -6.315 1.00 55.07 ? 157 PHE d O 1 +ATOM 38040 C CB . PHE V 4 147 ? 28.710 18.503 -3.753 1.00 56.37 ? 157 PHE d CB 1 +ATOM 38041 C CG . PHE V 4 147 ? 27.499 18.984 -3.026 1.00 53.17 ? 157 PHE d CG 1 +ATOM 38042 C CD1 . PHE V 4 147 ? 26.653 18.086 -2.415 1.00 49.06 ? 157 PHE d CD1 1 +ATOM 38043 C CD2 . PHE V 4 147 ? 27.191 20.334 -2.985 1.00 46.54 ? 157 PHE d CD2 1 +ATOM 38044 C CE1 . PHE V 4 147 ? 25.524 18.521 -1.756 1.00 58.70 ? 157 PHE d CE1 1 +ATOM 38045 C CE2 . PHE V 4 147 ? 26.075 20.781 -2.331 1.00 55.70 ? 157 PHE d CE2 1 +ATOM 38046 C CZ . PHE V 4 147 ? 25.233 19.872 -1.713 1.00 58.33 ? 157 PHE d CZ 1 +ATOM 38047 N N . LEU V 4 148 ? 30.332 17.013 -6.273 1.00 44.76 ? 158 LEU d N 1 +ATOM 38048 C CA . LEU V 4 148 ? 31.589 16.932 -7.016 1.00 52.60 ? 158 LEU d CA 1 +ATOM 38049 C C . LEU V 4 148 ? 31.434 16.214 -8.355 1.00 56.88 ? 158 LEU d C 1 +ATOM 38050 O O . LEU V 4 148 ? 31.734 16.812 -9.394 1.00 50.32 ? 158 LEU d O 1 +ATOM 38051 C CB . LEU V 4 148 ? 32.667 16.242 -6.159 1.00 43.92 ? 158 LEU d CB 1 +ATOM 38052 C CG . LEU V 4 148 ? 33.029 16.952 -4.848 1.00 59.60 ? 158 LEU d CG 1 +ATOM 38053 C CD1 . LEU V 4 148 ? 34.133 16.197 -4.072 1.00 55.61 ? 158 LEU d CD1 1 +ATOM 38054 C CD2 . LEU V 4 148 ? 33.436 18.402 -5.122 1.00 57.90 ? 158 LEU d CD2 1 +ATOM 38055 N N . ILE V 4 149 ? 30.987 14.943 -8.376 1.00 52.57 ? 159 ILE d N 1 +ATOM 38056 C CA . ILE V 4 149 ? 30.954 14.201 -9.644 1.00 52.09 ? 159 ILE d CA 1 +ATOM 38057 C C . ILE V 4 149 ? 29.986 14.847 -10.634 1.00 50.76 ? 159 ILE d C 1 +ATOM 38058 O O . ILE V 4 149 ? 30.318 15.048 -11.812 1.00 47.40 ? 159 ILE d O 1 +ATOM 38059 C CB . ILE V 4 149 ? 30.614 12.718 -9.404 1.00 52.17 ? 159 ILE d CB 1 +ATOM 38060 C CG1 . ILE V 4 149 ? 31.767 12.030 -8.685 1.00 45.06 ? 159 ILE d CG1 1 +ATOM 38061 C CG2 . ILE V 4 149 ? 30.349 12.009 -10.751 1.00 50.50 ? 159 ILE d CG2 1 +ATOM 38062 C CD1 . ILE V 4 149 ? 31.432 10.626 -8.200 1.00 56.04 ? 159 ILE d CD1 1 +ATOM 38063 N N . TYR V 4 150 ? 28.792 15.223 -10.167 1.00 49.79 ? 160 TYR d N 1 +ATOM 38064 C CA . TYR V 4 150 ? 27.798 15.780 -11.085 1.00 48.56 ? 160 TYR d CA 1 +ATOM 38065 C C . TYR V 4 150 ? 28.280 17.045 -11.797 1.00 50.97 ? 160 TYR d C 1 +ATOM 38066 O O . TYR V 4 150 ? 28.179 17.105 -13.035 1.00 50.87 ? 160 TYR d O 1 +ATOM 38067 C CB . TYR V 4 150 ? 26.466 16.019 -10.351 1.00 45.57 ? 160 TYR d CB 1 +ATOM 38068 C CG . TYR V 4 150 ? 25.476 16.721 -11.252 1.00 48.60 ? 160 TYR d CG 1 +ATOM 38069 C CD1 . TYR V 4 150 ? 24.797 16.014 -12.247 1.00 46.22 ? 160 TYR d CD1 1 +ATOM 38070 C CD2 . TYR V 4 150 ? 25.253 18.085 -11.141 1.00 45.46 ? 160 TYR d CD2 1 +ATOM 38071 C CE1 . TYR V 4 150 ? 23.917 16.657 -13.107 1.00 46.91 ? 160 TYR d CE1 1 +ATOM 38072 C CE2 . TYR V 4 150 ? 24.366 18.739 -11.989 1.00 49.09 ? 160 TYR d CE2 1 +ATOM 38073 C CZ . TYR V 4 150 ? 23.708 18.013 -12.973 1.00 49.27 ? 160 TYR d CZ 1 +ATOM 38074 O OH . TYR V 4 150 ? 22.828 18.638 -13.811 1.00 52.17 ? 160 TYR d OH 1 +ATOM 38075 N N . PRO V 4 151 ? 28.802 18.072 -11.119 1.00 52.45 ? 161 PRO d N 1 +ATOM 38076 C CA . PRO V 4 151 ? 29.320 19.223 -11.882 1.00 52.85 ? 161 PRO d CA 1 +ATOM 38077 C C . PRO V 4 151 ? 30.535 18.893 -12.733 1.00 45.57 ? 161 PRO d C 1 +ATOM 38078 O O . PRO V 4 151 ? 30.700 19.489 -13.806 1.00 52.24 ? 161 PRO d O 1 +ATOM 38079 C CB . PRO V 4 151 ? 29.658 20.258 -10.789 1.00 53.54 ? 161 PRO d CB 1 +ATOM 38080 C CG . PRO V 4 151 ? 29.837 19.443 -9.539 1.00 52.04 ? 161 PRO d CG 1 +ATOM 38081 C CD . PRO V 4 151 ? 28.861 18.308 -9.660 1.00 49.78 ? 161 PRO d CD 1 +ATOM 38082 N N . LEU V 4 152 ? 31.396 17.972 -12.288 1.00 46.26 ? 162 LEU d N 1 +ATOM 38083 C CA . LEU V 4 152 ? 32.587 17.630 -13.062 1.00 49.34 ? 162 LEU d CA 1 +ATOM 38084 C C . LEU V 4 152 ? 32.226 17.054 -14.427 1.00 55.96 ? 162 LEU d C 1 +ATOM 38085 O O . LEU V 4 152 ? 33.019 17.155 -15.370 1.00 57.15 ? 162 LEU d O 1 +ATOM 38086 C CB . LEU V 4 152 ? 33.461 16.641 -12.278 1.00 42.64 ? 162 LEU d CB 1 +ATOM 38087 C CG . LEU V 4 152 ? 34.285 17.304 -11.152 1.00 49.88 ? 162 LEU d CG 1 +ATOM 38088 C CD1 . LEU V 4 152 ? 34.958 16.292 -10.185 1.00 46.45 ? 162 LEU d CD1 1 +ATOM 38089 C CD2 . LEU V 4 152 ? 35.306 18.330 -11.711 1.00 49.26 ? 162 LEU d CD2 1 +ATOM 38090 N N . GLY V 4 153 ? 31.053 16.429 -14.546 1.00 53.99 ? 163 GLY d N 1 +ATOM 38091 C CA . GLY V 4 153 ? 30.640 15.862 -15.815 1.00 53.30 ? 163 GLY d CA 1 +ATOM 38092 C C . GLY V 4 153 ? 29.932 16.892 -16.682 1.00 52.02 ? 163 GLY d C 1 +ATOM 38093 O O . GLY V 4 153 ? 29.831 16.731 -17.897 1.00 51.81 ? 163 GLY d O 1 +ATOM 38094 N N . GLN V 4 154 ? 29.413 17.934 -16.038 1.00 44.40 ? 164 GLN d N 1 +ATOM 38095 C CA . GLN V 4 154 ? 28.735 19.033 -16.704 1.00 52.24 ? 164 GLN d CA 1 +ATOM 38096 C C . GLN V 4 154 ? 29.767 20.072 -17.165 1.00 55.91 ? 164 GLN d C 1 +ATOM 38097 O O . GLN V 4 154 ? 30.977 19.830 -17.117 1.00 47.96 ? 164 GLN d O 1 +ATOM 38098 C CB . GLN V 4 154 ? 27.678 19.623 -15.760 1.00 53.10 ? 164 GLN d CB 1 +ATOM 38099 C CG . GLN V 4 154 ? 26.486 18.670 -15.476 1.00 50.19 ? 164 GLN d CG 1 +ATOM 38100 C CD . GLN V 4 154 ? 25.656 18.318 -16.727 1.00 49.44 ? 164 GLN d CD 1 +ATOM 38101 O OE1 . GLN V 4 154 ? 25.603 19.084 -17.698 1.00 53.23 ? 164 GLN d OE1 1 +ATOM 38102 N NE2 . GLN V 4 154 ? 25.019 17.157 -16.705 1.00 44.98 ? 164 GLN d NE2 1 +ATOM 38103 N N . SER V 4 155 ? 29.299 21.238 -17.638 1.00 44.98 ? 165 SER d N 1 +ATOM 38104 C CA . SER V 4 155 ? 30.223 22.252 -18.157 1.00 58.69 ? 165 SER d CA 1 +ATOM 38105 C C . SER V 4 155 ? 31.074 22.911 -17.064 1.00 62.37 ? 165 SER d C 1 +ATOM 38106 O O . SER V 4 155 ? 32.192 23.357 -17.356 1.00 59.86 ? 165 SER d O 1 +ATOM 38107 C CB . SER V 4 155 ? 29.469 23.336 -18.931 1.00 50.67 ? 165 SER d CB 1 +ATOM 38108 O OG . SER V 4 155 ? 28.536 23.989 -18.090 1.00 58.65 ? 165 SER d OG 1 +ATOM 38109 N N . SER V 4 156 ? 30.592 22.981 -15.817 1.00 50.13 ? 166 SER d N 1 +ATOM 38110 C CA . SER V 4 156 ? 31.318 23.728 -14.787 1.00 56.70 ? 166 SER d CA 1 +ATOM 38111 C C . SER V 4 156 ? 30.667 23.596 -13.413 1.00 51.60 ? 166 SER d C 1 +ATOM 38112 O O . SER V 4 156 ? 29.576 23.030 -13.289 1.00 54.98 ? 166 SER d O 1 +ATOM 38113 C CB . SER V 4 156 ? 31.392 25.214 -15.152 1.00 53.28 ? 166 SER d CB 1 +ATOM 38114 O OG . SER V 4 156 ? 30.126 25.839 -14.986 1.00 57.75 ? 166 SER d OG 1 +ATOM 38115 N N . TRP V 4 157 ? 31.315 24.158 -12.383 1.00 55.64 ? 167 TRP d N 1 +ATOM 38116 C CA . TRP V 4 157 ? 30.747 24.140 -11.034 1.00 52.04 ? 167 TRP d CA 1 +ATOM 38117 C C . TRP V 4 157 ? 29.398 24.847 -10.977 1.00 45.30 ? 167 TRP d C 1 +ATOM 38118 O O . TRP V 4 157 ? 28.591 24.557 -10.088 1.00 51.21 ? 167 TRP d O 1 +ATOM 38119 C CB . TRP V 4 157 ? 31.682 24.798 -10.014 1.00 48.06 ? 167 TRP d CB 1 +ATOM 38120 C CG . TRP V 4 157 ? 33.038 24.198 -9.830 1.00 56.45 ? 167 TRP d CG 1 +ATOM 38121 C CD1 . TRP V 4 157 ? 34.236 24.834 -9.994 1.00 48.43 ? 167 TRP d CD1 1 +ATOM 38122 C CD2 . TRP V 4 157 ? 33.350 22.855 -9.412 1.00 48.73 ? 167 TRP d CD2 1 +ATOM 38123 N NE1 . TRP V 4 157 ? 35.273 23.969 -9.723 1.00 50.61 ? 167 TRP d NE1 1 +ATOM 38124 C CE2 . TRP V 4 157 ? 34.757 22.749 -9.365 1.00 53.00 ? 167 TRP d CE2 1 +ATOM 38125 C CE3 . TRP V 4 157 ? 32.580 21.733 -9.090 1.00 51.87 ? 167 TRP d CE3 1 +ATOM 38126 C CZ2 . TRP V 4 157 ? 35.409 21.566 -9.008 1.00 48.49 ? 167 TRP d CZ2 1 +ATOM 38127 C CZ3 . TRP V 4 157 ? 33.233 20.555 -8.733 1.00 56.36 ? 167 TRP d CZ3 1 +ATOM 38128 C CH2 . TRP V 4 157 ? 34.631 20.488 -8.690 1.00 52.85 ? 167 TRP d CH2 1 +ATOM 38129 N N . PHE V 4 158 ? 29.149 25.789 -11.882 1.00 46.38 ? 168 PHE d N 1 +ATOM 38130 C CA . PHE V 4 158 ? 27.911 26.572 -11.896 1.00 52.98 ? 168 PHE d CA 1 +ATOM 38131 C C . PHE V 4 158 ? 26.673 25.709 -11.682 1.00 54.67 ? 168 PHE d C 1 +ATOM 38132 O O . PHE V 4 158 ? 25.747 26.105 -10.968 1.00 50.31 ? 168 PHE d O 1 +ATOM 38133 C CB . PHE V 4 158 ? 27.772 27.340 -13.221 1.00 47.80 ? 168 PHE d CB 1 +ATOM 38134 C CG . PHE V 4 158 ? 26.571 28.255 -13.272 1.00 50.54 ? 168 PHE d CG 1 +ATOM 38135 C CD1 . PHE V 4 158 ? 26.647 29.551 -12.773 1.00 46.99 ? 168 PHE d CD1 1 +ATOM 38136 C CD2 . PHE V 4 158 ? 25.373 27.828 -13.817 1.00 48.98 ? 168 PHE d CD2 1 +ATOM 38137 C CE1 . PHE V 4 158 ? 25.545 30.397 -12.825 1.00 54.33 ? 168 PHE d CE1 1 +ATOM 38138 C CE2 . PHE V 4 158 ? 24.267 28.670 -13.875 1.00 51.66 ? 168 PHE d CE2 1 +ATOM 38139 C CZ . PHE V 4 158 ? 24.349 29.954 -13.374 1.00 51.07 ? 168 PHE d CZ 1 +ATOM 38140 N N . PHE V 4 159 ? 26.642 24.531 -12.300 1.00 56.08 ? 169 PHE d N 1 +ATOM 38141 C CA . PHE V 4 159 ? 25.455 23.684 -12.264 1.00 55.17 ? 169 PHE d CA 1 +ATOM 38142 C C . PHE V 4 159 ? 25.432 22.717 -11.085 1.00 55.20 ? 169 PHE d C 1 +ATOM 38143 O O . PHE V 4 159 ? 24.442 21.995 -10.921 1.00 58.82 ? 169 PHE d O 1 +ATOM 38144 C CB . PHE V 4 159 ? 25.314 22.947 -13.598 1.00 49.83 ? 169 PHE d CB 1 +ATOM 38145 C CG . PHE V 4 159 ? 24.986 23.875 -14.735 1.00 51.88 ? 169 PHE d CG 1 +ATOM 38146 C CD1 . PHE V 4 159 ? 23.697 24.371 -14.892 1.00 48.19 ? 169 PHE d CD1 1 +ATOM 38147 C CD2 . PHE V 4 159 ? 25.974 24.285 -15.613 1.00 46.97 ? 169 PHE d CD2 1 +ATOM 38148 C CE1 . PHE V 4 159 ? 23.394 25.250 -15.912 1.00 49.86 ? 169 PHE d CE1 1 +ATOM 38149 C CE2 . PHE V 4 159 ? 25.684 25.163 -16.638 1.00 48.27 ? 169 PHE d CE2 1 +ATOM 38150 C CZ . PHE V 4 159 ? 24.387 25.652 -16.781 1.00 60.11 ? 169 PHE d CZ 1 +ATOM 38151 N N . ALA V 4 160 ? 26.471 22.707 -10.247 1.00 47.99 ? 170 ALA d N 1 +ATOM 38152 C CA . ALA V 4 160 ? 26.413 22.029 -8.954 1.00 55.06 ? 170 ALA d CA 1 +ATOM 38153 C C . ALA V 4 160 ? 25.304 22.636 -8.087 1.00 50.10 ? 170 ALA d C 1 +ATOM 38154 O O . ALA V 4 160 ? 24.791 23.717 -8.419 1.00 49.64 ? 170 ALA d O 1 +ATOM 38155 C CB . ALA V 4 160 ? 27.781 22.123 -8.264 1.00 50.59 ? 170 ALA d CB 1 +ATOM 38156 N N . PRO V 4 161 ? 24.882 22.003 -6.991 1.00 48.01 ? 171 PRO d N 1 +ATOM 38157 C CA . PRO V 4 161 ? 23.947 22.698 -6.092 1.00 58.13 ? 171 PRO d CA 1 +ATOM 38158 C C . PRO V 4 161 ? 24.649 23.854 -5.392 1.00 64.66 ? 171 PRO d C 1 +ATOM 38159 O O . PRO V 4 161 ? 25.811 23.742 -4.984 1.00 53.69 ? 171 PRO d O 1 +ATOM 38160 C CB . PRO V 4 161 ? 23.523 21.620 -5.075 1.00 49.93 ? 171 PRO d CB 1 +ATOM 38161 C CG . PRO V 4 161 ? 24.344 20.413 -5.362 1.00 42.57 ? 171 PRO d CG 1 +ATOM 38162 C CD . PRO V 4 161 ? 25.418 20.790 -6.351 1.00 49.33 ? 171 PRO d CD 1 +ATOM 38163 N N . SER V 4 162 ? 23.930 24.967 -5.255 1.00 51.65 ? 172 SER d N 1 +ATOM 38164 C CA . SER V 4 162 ? 24.375 26.053 -4.389 1.00 56.43 ? 172 SER d CA 1 +ATOM 38165 C C . SER V 4 162 ? 23.942 25.787 -2.950 1.00 53.44 ? 172 SER d C 1 +ATOM 38166 O O . SER V 4 162 ? 22.882 25.200 -2.699 1.00 54.04 ? 172 SER d O 1 +ATOM 38167 C CB . SER V 4 162 ? 23.809 27.385 -4.873 1.00 49.12 ? 172 SER d CB 1 +ATOM 38168 O OG . SER V 4 162 ? 24.445 27.770 -6.079 1.00 55.33 ? 172 SER d OG 1 +ATOM 38169 N N . PHE V 4 163 ? 24.768 26.228 -1.998 1.00 52.46 ? 173 PHE d N 1 +ATOM 38170 C CA . PHE V 4 163 ? 24.529 25.942 -0.583 1.00 53.51 ? 173 PHE d CA 1 +ATOM 38171 C C . PHE V 4 163 ? 23.485 26.911 -0.035 1.00 56.45 ? 173 PHE d C 1 +ATOM 38172 O O . PHE V 4 163 ? 23.809 27.942 0.553 1.00 56.38 ? 173 PHE d O 1 +ATOM 38173 C CB . PHE V 4 163 ? 25.826 26.024 0.215 1.00 46.59 ? 173 PHE d CB 1 +ATOM 38174 C CG . PHE V 4 163 ? 26.833 24.976 -0.142 1.00 54.30 ? 173 PHE d CG 1 +ATOM 38175 C CD1 . PHE V 4 163 ? 26.719 23.674 0.368 1.00 48.27 ? 173 PHE d CD1 1 +ATOM 38176 C CD2 . PHE V 4 163 ? 27.907 25.282 -0.976 1.00 45.77 ? 173 PHE d CD2 1 +ATOM 38177 C CE1 . PHE V 4 163 ? 27.655 22.696 0.048 1.00 47.14 ? 173 PHE d CE1 1 +ATOM 38178 C CE2 . PHE V 4 163 ? 28.849 24.321 -1.295 1.00 49.20 ? 173 PHE d CE2 1 +ATOM 38179 C CZ . PHE V 4 163 ? 28.720 23.012 -0.785 1.00 51.63 ? 173 PHE d CZ 1 +ATOM 38180 N N . GLY V 4 164 ? 22.216 26.571 -0.204 1.00 54.57 ? 174 GLY d N 1 +ATOM 38181 C CA . GLY V 4 164 ? 21.155 27.383 0.362 1.00 49.24 ? 174 GLY d CA 1 +ATOM 38182 C C . GLY V 4 164 ? 19.841 26.640 0.320 1.00 52.44 ? 174 GLY d C 1 +ATOM 38183 O O . GLY V 4 164 ? 19.695 25.640 -0.380 1.00 51.34 ? 174 GLY d O 1 +ATOM 38184 N N . VAL V 4 165 ? 18.881 27.140 1.090 1.00 52.41 ? 175 VAL d N 1 +ATOM 38185 C CA . VAL V 4 165 ? 17.603 26.448 1.211 1.00 46.74 ? 175 VAL d CA 1 +ATOM 38186 C C . VAL V 4 165 ? 16.834 26.528 -0.110 1.00 57.00 ? 175 VAL d C 1 +ATOM 38187 O O . VAL V 4 165 ? 16.566 25.503 -0.756 1.00 56.24 ? 175 VAL d O 1 +ATOM 38188 C CB . VAL V 4 165 ? 16.794 26.999 2.400 1.00 47.90 ? 175 VAL d CB 1 +ATOM 38189 C CG1 . VAL V 4 165 ? 15.355 26.573 2.313 1.00 49.01 ? 175 VAL d CG1 1 +ATOM 38190 C CG2 . VAL V 4 165 ? 17.388 26.485 3.709 1.00 49.42 ? 175 VAL d CG2 1 +ATOM 38191 N N . ALA V 4 166 ? 16.505 27.745 -0.548 1.00 49.82 ? 176 ALA d N 1 +ATOM 38192 C CA . ALA V 4 166 ? 15.791 27.925 -1.806 1.00 47.82 ? 176 ALA d CA 1 +ATOM 38193 C C . ALA V 4 166 ? 16.646 27.535 -3.002 1.00 50.54 ? 176 ALA d C 1 +ATOM 38194 O O . ALA V 4 166 ? 16.109 27.080 -4.018 1.00 51.72 ? 176 ALA d O 1 +ATOM 38195 C CB . ALA V 4 166 ? 15.315 29.372 -1.946 1.00 50.23 ? 176 ALA d CB 1 +ATOM 38196 N N . ALA V 4 167 ? 17.971 27.687 -2.898 1.00 49.26 ? 177 ALA d N 1 +ATOM 38197 C CA . ALA V 4 167 ? 18.856 27.294 -3.991 1.00 47.41 ? 177 ALA d CA 1 +ATOM 38198 C C . ALA V 4 167 ? 18.782 25.796 -4.256 1.00 58.47 ? 177 ALA d C 1 +ATOM 38199 O O . ALA V 4 167 ? 18.876 25.362 -5.410 1.00 55.22 ? 177 ALA d O 1 +ATOM 38200 C CB . ALA V 4 167 ? 20.289 27.700 -3.670 1.00 50.46 ? 177 ALA d CB 1 +ATOM 38201 N N . ILE V 4 168 ? 18.645 24.990 -3.194 1.00 54.15 ? 178 ILE d N 1 +ATOM 38202 C CA . ILE V 4 168 ? 18.526 23.539 -3.345 1.00 51.67 ? 178 ILE d CA 1 +ATOM 38203 C C . ILE V 4 168 ? 17.156 23.172 -3.913 1.00 47.44 ? 178 ILE d C 1 +ATOM 38204 O O . ILE V 4 168 ? 17.048 22.278 -4.756 1.00 49.37 ? 178 ILE d O 1 +ATOM 38205 C CB . ILE V 4 168 ? 18.808 22.841 -1.996 1.00 60.63 ? 178 ILE d CB 1 +ATOM 38206 C CG1 . ILE V 4 168 ? 20.318 22.803 -1.708 1.00 54.27 ? 178 ILE d CG1 1 +ATOM 38207 C CG2 . ILE V 4 168 ? 18.175 21.425 -1.914 1.00 49.56 ? 178 ILE d CG2 1 +ATOM 38208 C CD1 . ILE V 4 168 ? 21.011 21.574 -2.223 1.00 61.61 ? 178 ILE d CD1 1 +ATOM 38209 N N . PHE V 4 169 ? 16.095 23.869 -3.486 1.00 48.01 ? 179 PHE d N 1 +ATOM 38210 C CA . PHE V 4 169 ? 14.789 23.714 -4.123 1.00 47.81 ? 179 PHE d CA 1 +ATOM 38211 C C . PHE V 4 169 ? 14.886 23.942 -5.632 1.00 56.09 ? 179 PHE d C 1 +ATOM 38212 O O . PHE V 4 169 ? 14.318 23.189 -6.430 1.00 51.87 ? 179 PHE d O 1 +ATOM 38213 C CB . PHE V 4 169 ? 13.773 24.693 -3.510 1.00 47.57 ? 179 PHE d CB 1 +ATOM 38214 C CG . PHE V 4 169 ? 13.505 24.473 -2.026 1.00 49.10 ? 179 PHE d CG 1 +ATOM 38215 C CD1 . PHE V 4 169 ? 13.816 23.272 -1.411 1.00 49.23 ? 179 PHE d CD1 1 +ATOM 38216 C CD2 . PHE V 4 169 ? 12.939 25.493 -1.250 1.00 50.88 ? 179 PHE d CD2 1 +ATOM 38217 C CE1 . PHE V 4 169 ? 13.563 23.080 -0.047 1.00 49.03 ? 179 PHE d CE1 1 +ATOM 38218 C CE2 . PHE V 4 169 ? 12.679 25.313 0.115 1.00 48.76 ? 179 PHE d CE2 1 +ATOM 38219 C CZ . PHE V 4 169 ? 12.998 24.109 0.716 1.00 46.61 ? 179 PHE d CZ 1 +ATOM 38220 N N . ARG V 4 170 ? 15.605 24.990 -6.042 1.00 55.71 ? 180 ARG d N 1 +ATOM 38221 C CA . ARG V 4 170 ? 15.834 25.210 -7.465 1.00 58.35 ? 180 ARG d CA 1 +ATOM 38222 C C . ARG V 4 170 ? 16.477 23.988 -8.109 1.00 49.71 ? 180 ARG d C 1 +ATOM 38223 O O . ARG V 4 170 ? 16.081 23.572 -9.203 1.00 49.13 ? 180 ARG d O 1 +ATOM 38224 C CB . ARG V 4 170 ? 16.695 26.466 -7.656 1.00 46.78 ? 180 ARG d CB 1 +ATOM 38225 C CG . ARG V 4 170 ? 17.252 26.666 -9.040 1.00 48.03 ? 180 ARG d CG 1 +ATOM 38226 C CD . ARG V 4 170 ? 18.642 26.061 -9.154 1.00 51.62 ? 180 ARG d CD 1 +ATOM 38227 N NE . ARG V 4 170 ? 19.130 26.086 -10.521 1.00 50.59 ? 180 ARG d NE 1 +ATOM 38228 C CZ . ARG V 4 170 ? 20.151 25.364 -10.962 1.00 57.99 ? 180 ARG d CZ 1 +ATOM 38229 N NH1 . ARG V 4 170 ? 20.808 24.542 -10.160 1.00 54.26 ? 180 ARG d NH1 1 +ATOM 38230 N NH2 . ARG V 4 170 ? 20.518 25.463 -12.245 1.00 51.51 ? 180 ARG d NH2 1 +ATOM 38231 N N . PHE V 4 171 ? 17.477 23.412 -7.441 1.00 51.90 ? 181 PHE d N 1 +ATOM 38232 C CA . PHE V 4 171 ? 18.181 22.228 -7.942 1.00 50.95 ? 181 PHE d CA 1 +ATOM 38233 C C . PHE V 4 171 ? 17.214 21.059 -8.148 1.00 52.69 ? 181 PHE d C 1 +ATOM 38234 O O . PHE V 4 171 ? 17.285 20.348 -9.160 1.00 45.03 ? 181 PHE d O 1 +ATOM 38235 C CB . PHE V 4 171 ? 19.273 21.868 -6.930 1.00 52.50 ? 181 PHE d CB 1 +ATOM 38236 C CG . PHE V 4 171 ? 20.301 20.865 -7.413 1.00 55.14 ? 181 PHE d CG 1 +ATOM 38237 C CD1 . PHE V 4 171 ? 21.319 21.249 -8.277 1.00 50.58 ? 181 PHE d CD1 1 +ATOM 38238 C CD2 . PHE V 4 171 ? 20.288 19.557 -6.933 1.00 45.96 ? 181 PHE d CD2 1 +ATOM 38239 C CE1 . PHE V 4 171 ? 22.294 20.346 -8.667 1.00 52.96 ? 181 PHE d CE1 1 +ATOM 38240 C CE2 . PHE V 4 171 ? 21.247 18.648 -7.316 1.00 50.05 ? 181 PHE d CE2 1 +ATOM 38241 C CZ . PHE V 4 171 ? 22.268 19.045 -8.182 1.00 52.45 ? 181 PHE d CZ 1 +ATOM 38242 N N . LEU V 4 172 ? 16.299 20.854 -7.189 1.00 49.62 ? 182 LEU d N 1 +ATOM 38243 C CA . LEU V 4 172 ? 15.240 19.856 -7.345 1.00 49.03 ? 182 LEU d CA 1 +ATOM 38244 C C . LEU V 4 172 ? 14.452 20.070 -8.636 1.00 53.93 ? 182 LEU d C 1 +ATOM 38245 O O . LEU V 4 172 ? 14.222 19.131 -9.409 1.00 45.82 ? 182 LEU d O 1 +ATOM 38246 C CB . LEU V 4 172 ? 14.293 19.917 -6.147 1.00 47.93 ? 182 LEU d CB 1 +ATOM 38247 C CG . LEU V 4 172 ? 14.880 19.764 -4.737 1.00 52.17 ? 182 LEU d CG 1 +ATOM 38248 C CD1 . LEU V 4 172 ? 13.774 19.790 -3.678 1.00 48.14 ? 182 LEU d CD1 1 +ATOM 38249 C CD2 . LEU V 4 172 ? 15.655 18.464 -4.631 1.00 42.11 ? 182 LEU d CD2 1 +ATOM 38250 N N A LEU V 4 173 ? 14.045 21.307 -8.895 0.40 45.59 ? 183 LEU d N 1 +ATOM 38251 N N B LEU V 4 173 ? 14.019 21.315 -8.877 0.60 45.59 ? 183 LEU d N 1 +ATOM 38252 C CA A LEU V 4 173 ? 13.138 21.572 -9.998 0.40 46.85 ? 183 LEU d CA 1 +ATOM 38253 C CA B LEU V 4 173 ? 13.129 21.577 -10.003 0.60 46.85 ? 183 LEU d CA 1 +ATOM 38254 C C A LEU V 4 173 ? 13.879 21.523 -11.324 0.40 51.32 ? 183 LEU d C 1 +ATOM 38255 C C B LEU V 4 173 ? 13.881 21.528 -11.323 0.60 51.46 ? 183 LEU d C 1 +ATOM 38256 O O A LEU V 4 173 ? 13.318 21.082 -12.333 0.40 46.64 ? 183 LEU d O 1 +ATOM 38257 O O B LEU V 4 173 ? 13.317 21.116 -12.345 0.60 46.72 ? 183 LEU d O 1 +ATOM 38258 C CB A LEU V 4 173 ? 12.439 22.923 -9.789 0.40 46.73 ? 183 LEU d CB 1 +ATOM 38259 C CB B LEU V 4 173 ? 12.428 22.923 -9.808 0.60 46.70 ? 183 LEU d CB 1 +ATOM 38260 C CG A LEU V 4 173 ? 11.569 23.023 -8.517 0.40 47.11 ? 183 LEU d CG 1 +ATOM 38261 C CG B LEU V 4 173 ? 11.587 23.022 -8.526 0.60 47.20 ? 183 LEU d CG 1 +ATOM 38262 C CD1 A LEU V 4 173 ? 10.806 24.358 -8.457 0.40 45.67 ? 183 LEU d CD1 1 +ATOM 38263 C CD1 B LEU V 4 173 ? 10.872 24.372 -8.424 0.60 45.63 ? 183 LEU d CD1 1 +ATOM 38264 C CD2 A LEU V 4 173 ? 10.594 21.842 -8.398 0.40 41.58 ? 183 LEU d CD2 1 +ATOM 38265 C CD2 B LEU V 4 173 ? 10.587 21.867 -8.411 0.60 41.56 ? 183 LEU d CD2 1 +ATOM 38266 N N . PHE V 4 174 ? 15.154 21.927 -11.311 1.00 51.95 ? 184 PHE d N 1 +ATOM 38267 C CA . PHE V 4 174 ? 16.006 21.745 -12.479 1.00 52.26 ? 184 PHE d CA 1 +ATOM 38268 C C . PHE V 4 174 ? 16.081 20.275 -12.858 1.00 52.38 ? 184 PHE d C 1 +ATOM 38269 O O . PHE V 4 174 ? 15.956 19.924 -14.038 1.00 51.05 ? 184 PHE d O 1 +ATOM 38270 C CB . PHE V 4 174 ? 17.409 22.295 -12.184 1.00 51.99 ? 184 PHE d CB 1 +ATOM 38271 C CG . PHE V 4 174 ? 18.349 22.282 -13.373 1.00 56.92 ? 184 PHE d CG 1 +ATOM 38272 C CD1 . PHE V 4 174 ? 19.112 21.155 -13.665 1.00 52.67 ? 184 PHE d CD1 1 +ATOM 38273 C CD2 . PHE V 4 174 ? 18.484 23.398 -14.183 1.00 51.64 ? 184 PHE d CD2 1 +ATOM 38274 C CE1 . PHE V 4 174 ? 19.991 21.156 -14.742 1.00 52.31 ? 184 PHE d CE1 1 +ATOM 38275 C CE2 . PHE V 4 174 ? 19.356 23.400 -15.278 1.00 53.31 ? 184 PHE d CE2 1 +ATOM 38276 C CZ . PHE V 4 174 ? 20.111 22.279 -15.551 1.00 57.70 ? 184 PHE d CZ 1 +ATOM 38277 N N . PHE V 4 175 ? 16.263 19.398 -11.859 1.00 49.93 ? 185 PHE d N 1 +ATOM 38278 C CA . PHE V 4 175 ? 16.431 17.980 -12.153 1.00 49.00 ? 185 PHE d CA 1 +ATOM 38279 C C . PHE V 4 175 ? 15.146 17.352 -12.693 1.00 47.37 ? 185 PHE d C 1 +ATOM 38280 O O . PHE V 4 175 ? 15.215 16.432 -13.514 1.00 44.94 ? 185 PHE d O 1 +ATOM 38281 C CB . PHE V 4 175 ? 16.941 17.238 -10.914 1.00 43.23 ? 185 PHE d CB 1 +ATOM 38282 C CG . PHE V 4 175 ? 18.445 17.143 -10.851 1.00 47.45 ? 185 PHE d CG 1 +ATOM 38283 C CD1 . PHE V 4 175 ? 19.231 18.281 -11.007 1.00 44.43 ? 185 PHE d CD1 1 +ATOM 38284 C CD2 . PHE V 4 175 ? 19.076 15.926 -10.622 1.00 42.82 ? 185 PHE d CD2 1 +ATOM 38285 C CE1 . PHE V 4 175 ? 20.612 18.207 -10.955 1.00 46.40 ? 185 PHE d CE1 1 +ATOM 38286 C CE2 . PHE V 4 175 ? 20.467 15.840 -10.560 1.00 52.62 ? 185 PHE d CE2 1 +ATOM 38287 C CZ . PHE V 4 175 ? 21.237 16.978 -10.728 1.00 48.88 ? 185 PHE d CZ 1 +ATOM 38288 N N A GLN V 4 176 ? 13.979 17.822 -12.246 0.40 43.59 ? 186 GLN d N 1 +ATOM 38289 N N B GLN V 4 176 ? 13.977 17.839 -12.261 0.60 43.56 ? 186 GLN d N 1 +ATOM 38290 C CA A GLN V 4 176 ? 12.734 17.400 -12.877 0.40 46.87 ? 186 GLN d CA 1 +ATOM 38291 C CA B GLN V 4 176 ? 12.730 17.402 -12.881 0.60 46.93 ? 186 GLN d CA 1 +ATOM 38292 C C A GLN V 4 176 ? 12.672 17.851 -14.339 0.40 45.83 ? 186 GLN d C 1 +ATOM 38293 C C B GLN V 4 176 ? 12.656 17.833 -14.343 0.60 45.85 ? 186 GLN d C 1 +ATOM 38294 O O A GLN V 4 176 ? 12.495 17.029 -15.248 0.40 47.67 ? 186 GLN d O 1 +ATOM 38295 O O B GLN V 4 176 ? 12.470 16.999 -15.241 0.60 47.74 ? 186 GLN d O 1 +ATOM 38296 C CB A GLN V 4 176 ? 11.532 17.938 -12.095 0.40 45.14 ? 186 GLN d CB 1 +ATOM 38297 C CB B GLN V 4 176 ? 11.521 17.948 -12.117 0.60 45.18 ? 186 GLN d CB 1 +ATOM 38298 C CG A GLN V 4 176 ? 10.198 17.556 -12.758 0.40 46.87 ? 186 GLN d CG 1 +ATOM 38299 C CG B GLN V 4 176 ? 10.205 17.538 -12.795 0.60 46.90 ? 186 GLN d CG 1 +ATOM 38300 C CD A GLN V 4 176 ? 10.071 16.039 -12.961 0.40 46.03 ? 186 GLN d CD 1 +ATOM 38301 C CD B GLN V 4 176 ? 10.111 16.021 -12.987 0.60 46.04 ? 186 GLN d CD 1 +ATOM 38302 O OE1 A GLN V 4 176 ? 10.425 15.257 -12.078 0.40 47.65 ? 186 GLN d OE1 1 +ATOM 38303 O OE1 B GLN V 4 176 ? 10.351 15.259 -12.059 0.60 47.71 ? 186 GLN d OE1 1 +ATOM 38304 N NE2 A GLN V 4 176 ? 9.578 15.626 -14.132 0.40 46.21 ? 186 GLN d NE2 1 +ATOM 38305 N NE2 B GLN V 4 176 ? 9.777 15.585 -14.199 0.60 46.00 ? 186 GLN d NE2 1 +ATOM 38306 N N A GLY V 4 177 ? 12.858 19.154 -14.584 0.40 46.32 ? 187 GLY d N 1 +ATOM 38307 N N B GLY V 4 177 ? 12.806 19.138 -14.600 0.60 46.31 ? 187 GLY d N 1 +ATOM 38308 C CA A GLY V 4 177 ? 12.610 19.698 -15.908 0.40 42.29 ? 187 GLY d CA 1 +ATOM 38309 C CA B GLY V 4 177 ? 12.583 19.658 -15.937 0.60 42.18 ? 187 GLY d CA 1 +ATOM 38310 C C A GLY V 4 177 ? 13.637 19.267 -16.938 0.40 49.77 ? 187 GLY d C 1 +ATOM 38311 C C B GLY V 4 177 ? 13.632 19.219 -16.943 0.60 49.87 ? 187 GLY d C 1 +ATOM 38312 O O A GLY V 4 177 ? 13.286 18.951 -18.081 0.40 47.02 ? 187 GLY d O 1 +ATOM 38313 O O B GLY V 4 177 ? 13.302 18.887 -18.085 0.60 47.13 ? 187 GLY d O 1 +ATOM 38314 N N . PHE V 4 178 ? 14.907 19.220 -16.548 1.00 45.50 ? 188 PHE d N 1 +ATOM 38315 C CA . PHE V 4 178 ? 15.962 18.890 -17.506 1.00 49.17 ? 188 PHE d CA 1 +ATOM 38316 C C . PHE V 4 178 ? 16.314 17.412 -17.522 1.00 50.57 ? 188 PHE d C 1 +ATOM 38317 O O . PHE V 4 178 ? 16.670 16.873 -18.582 1.00 50.11 ? 188 PHE d O 1 +ATOM 38318 C CB . PHE V 4 178 ? 17.225 19.718 -17.223 1.00 44.33 ? 188 PHE d CB 1 +ATOM 38319 C CG . PHE V 4 178 ? 17.074 21.163 -17.595 1.00 50.78 ? 188 PHE d CG 1 +ATOM 38320 C CD1 . PHE V 4 178 ? 16.453 22.060 -16.721 1.00 45.83 ? 188 PHE d CD1 1 +ATOM 38321 C CD2 . PHE V 4 178 ? 17.508 21.627 -18.836 1.00 51.77 ? 188 PHE d CD2 1 +ATOM 38322 C CE1 . PHE V 4 178 ? 16.288 23.399 -17.072 1.00 48.20 ? 188 PHE d CE1 1 +ATOM 38323 C CE2 . PHE V 4 178 ? 17.334 22.965 -19.193 1.00 50.09 ? 188 PHE d CE2 1 +ATOM 38324 C CZ . PHE V 4 178 ? 16.729 23.846 -18.299 1.00 48.19 ? 188 PHE d CZ 1 +ATOM 38325 N N . HIS V 4 179 ? 16.215 16.733 -16.386 1.00 46.03 ? 189 HIS d N 1 +ATOM 38326 C CA . HIS V 4 179 ? 16.660 15.359 -16.310 1.00 52.28 ? 189 HIS d CA 1 +ATOM 38327 C C . HIS V 4 179 ? 15.529 14.343 -16.187 1.00 55.57 ? 189 HIS d C 1 +ATOM 38328 O O . HIS V 4 179 ? 15.802 13.140 -16.296 1.00 43.73 ? 189 HIS d O 1 +ATOM 38329 C CB . HIS V 4 179 ? 17.606 15.178 -15.117 1.00 47.13 ? 189 HIS d CB 1 +ATOM 38330 C CG . HIS V 4 179 ? 18.938 15.837 -15.273 1.00 50.90 ? 189 HIS d CG 1 +ATOM 38331 N ND1 . HIS V 4 179 ? 19.747 15.635 -16.371 1.00 46.76 ? 189 HIS d ND1 1 +ATOM 38332 C CD2 . HIS V 4 179 ? 19.634 16.642 -14.434 1.00 41.11 ? 189 HIS d CD2 1 +ATOM 38333 C CE1 . HIS V 4 179 ? 20.875 16.306 -16.215 1.00 46.72 ? 189 HIS d CE1 1 +ATOM 38334 N NE2 . HIS V 4 179 ? 20.829 16.931 -15.049 1.00 49.97 ? 189 HIS d NE2 1 +ATOM 38335 N N A ASN V 4 180 ? 14.284 14.784 -15.971 0.40 43.18 ? 190 ASN d N 1 +ATOM 38336 N N B ASN V 4 180 ? 14.289 14.786 -15.956 0.60 43.06 ? 190 ASN d N 1 +ATOM 38337 C CA A ASN V 4 180 ? 13.161 13.888 -15.661 0.40 45.89 ? 190 ASN d CA 1 +ATOM 38338 C CA B ASN V 4 180 ? 13.178 13.881 -15.669 0.60 45.89 ? 190 ASN d CA 1 +ATOM 38339 C C A ASN V 4 180 ? 13.537 12.907 -14.545 0.40 48.15 ? 190 ASN d C 1 +ATOM 38340 C C B ASN V 4 180 ? 13.565 12.910 -14.552 0.60 48.17 ? 190 ASN d C 1 +ATOM 38341 O O A ASN V 4 180 ? 13.247 11.711 -14.609 0.40 49.58 ? 190 ASN d O 1 +ATOM 38342 O O B ASN V 4 180 ? 13.329 11.705 -14.627 0.60 49.74 ? 190 ASN d O 1 +ATOM 38343 C CB A ASN V 4 180 ? 12.670 13.143 -16.911 0.40 39.80 ? 190 ASN d CB 1 +ATOM 38344 C CB B ASN V 4 180 ? 12.731 13.137 -16.936 0.60 39.57 ? 190 ASN d CB 1 +ATOM 38345 C CG A ASN V 4 180 ? 11.182 12.768 -16.825 0.40 52.93 ? 190 ASN d CG 1 +ATOM 38346 C CG B ASN V 4 180 ? 11.261 12.757 -16.904 0.60 53.17 ? 190 ASN d CG 1 +ATOM 38347 O OD1 A ASN V 4 180 ? 10.484 13.188 -15.908 0.40 52.31 ? 190 ASN d OD1 1 +ATOM 38348 O OD1 B ASN V 4 180 ? 10.545 13.083 -15.960 0.60 52.63 ? 190 ASN d OD1 1 +ATOM 38349 N ND2 A ASN V 4 180 ? 10.699 11.980 -17.785 0.40 48.63 ? 190 ASN d ND2 1 +ATOM 38350 N ND2 B ASN V 4 180 ? 10.802 12.064 -17.946 0.60 48.62 ? 190 ASN d ND2 1 +ATOM 38351 N N . TRP V 4 181 ? 14.171 13.463 -13.495 1.00 49.37 ? 191 TRP d N 1 +ATOM 38352 C CA . TRP V 4 181 ? 14.822 12.638 -12.464 1.00 46.40 ? 191 TRP d CA 1 +ATOM 38353 C C . TRP V 4 181 ? 13.836 11.765 -11.690 1.00 42.51 ? 191 TRP d C 1 +ATOM 38354 O O . TRP V 4 181 ? 14.234 10.710 -11.195 1.00 46.39 ? 191 TRP d O 1 +ATOM 38355 C CB . TRP V 4 181 ? 15.635 13.553 -11.532 1.00 47.38 ? 191 TRP d CB 1 +ATOM 38356 C CG . TRP V 4 181 ? 16.358 12.988 -10.291 1.00 45.02 ? 191 TRP d CG 1 +ATOM 38357 C CD1 . TRP V 4 181 ? 16.301 13.496 -9.004 1.00 47.70 ? 191 TRP d CD1 1 +ATOM 38358 C CD2 . TRP V 4 181 ? 17.279 11.875 -10.226 1.00 46.29 ? 191 TRP d CD2 1 +ATOM 38359 N NE1 . TRP V 4 181 ? 17.114 12.774 -8.166 1.00 44.01 ? 191 TRP d NE1 1 +ATOM 38360 C CE2 . TRP V 4 181 ? 17.719 11.773 -8.881 1.00 48.94 ? 191 TRP d CE2 1 +ATOM 38361 C CE3 . TRP V 4 181 ? 17.752 10.942 -11.159 1.00 47.59 ? 191 TRP d CE3 1 +ATOM 38362 C CZ2 . TRP V 4 181 ? 18.608 10.775 -8.460 1.00 46.82 ? 191 TRP d CZ2 1 +ATOM 38363 C CZ3 . TRP V 4 181 ? 18.645 9.964 -10.735 1.00 44.51 ? 191 TRP d CZ3 1 +ATOM 38364 C CH2 . TRP V 4 181 ? 19.063 9.895 -9.395 1.00 44.54 ? 191 TRP d CH2 1 +ATOM 38365 N N A THR V 4 182 ? 12.565 12.182 -11.567 0.40 42.56 ? 192 THR d N 1 +ATOM 38366 N N B THR V 4 182 ? 12.564 12.163 -11.580 0.60 42.45 ? 192 THR d N 1 +ATOM 38367 C CA A THR V 4 182 ? 11.596 11.332 -10.880 0.40 45.64 ? 192 THR d CA 1 +ATOM 38368 C CA B THR V 4 182 ? 11.618 11.297 -10.884 0.60 45.62 ? 192 THR d CA 1 +ATOM 38369 C C A THR V 4 182 ? 11.368 10.018 -11.614 0.40 50.26 ? 192 THR d C 1 +ATOM 38370 C C B THR V 4 182 ? 11.388 9.993 -11.627 0.60 50.38 ? 192 THR d C 1 +ATOM 38371 O O A THR V 4 182 ? 10.960 9.032 -10.986 0.40 48.02 ? 192 THR d O 1 +ATOM 38372 O O B THR V 4 182 ? 10.973 9.005 -11.012 0.60 48.07 ? 192 THR d O 1 +ATOM 38373 C CB A THR V 4 182 ? 10.244 12.025 -10.702 0.40 50.30 ? 192 THR d CB 1 +ATOM 38374 C CB B THR V 4 182 ? 10.271 11.985 -10.676 0.60 50.47 ? 192 THR d CB 1 +ATOM 38375 O OG1 A THR V 4 182 ? 9.848 12.629 -11.932 0.40 47.02 ? 192 THR d OG1 1 +ATOM 38376 O OG1 B THR V 4 182 ? 9.862 12.616 -11.889 0.60 46.99 ? 192 THR d OG1 1 +ATOM 38377 C CG2 A THR V 4 182 ? 10.299 13.078 -9.567 0.40 48.94 ? 192 THR d CG2 1 +ATOM 38378 C CG2 B THR V 4 182 ? 10.355 13.018 -9.541 0.60 48.96 ? 192 THR d CG2 1 +ATOM 38379 N N . LEU V 4 183 ? 11.654 9.964 -12.927 1.00 49.06 ? 193 LEU d N 1 +ATOM 38380 C CA . LEU V 4 183 ? 11.504 8.746 -13.718 1.00 47.92 ? 193 LEU d CA 1 +ATOM 38381 C C . LEU V 4 183 ? 12.677 7.772 -13.541 1.00 50.29 ? 193 LEU d C 1 +ATOM 38382 O O . LEU V 4 183 ? 12.632 6.649 -14.052 1.00 44.86 ? 193 LEU d O 1 +ATOM 38383 C CB . LEU V 4 183 ? 11.344 9.111 -15.206 1.00 41.42 ? 193 LEU d CB 1 +ATOM 38384 C CG . LEU V 4 183 ? 10.548 8.131 -16.086 1.00 50.56 ? 193 LEU d CG 1 +ATOM 38385 C CD1 . LEU V 4 183 ? 9.064 8.248 -15.764 1.00 51.34 ? 193 LEU d CD1 1 +ATOM 38386 C CD2 . LEU V 4 183 ? 10.801 8.330 -17.592 1.00 44.35 ? 193 LEU d CD2 1 +ATOM 38387 N N . ASN V 4 184 ? 13.711 8.164 -12.823 1.00 47.58 ? 194 ASN d N 1 +ATOM 38388 C CA . ASN V 4 184 ? 14.940 7.391 -12.807 1.00 49.37 ? 194 ASN d CA 1 +ATOM 38389 C C . ASN V 4 184 ? 14.842 6.263 -11.782 1.00 46.17 ? 194 ASN d C 1 +ATOM 38390 O O . ASN V 4 184 ? 14.529 6.524 -10.619 1.00 50.06 ? 194 ASN d O 1 +ATOM 38391 C CB . ASN V 4 184 ? 16.115 8.325 -12.513 1.00 41.91 ? 194 ASN d CB 1 +ATOM 38392 C CG . ASN V 4 184 ? 17.431 7.722 -12.892 1.00 45.56 ? 194 ASN d CG 1 +ATOM 38393 O OD1 . ASN V 4 184 ? 17.837 6.724 -12.308 1.00 49.52 ? 194 ASN d OD1 1 +ATOM 38394 N ND2 . ASN V 4 184 ? 18.102 8.302 -13.880 1.00 47.44 ? 194 ASN d ND2 1 +ATOM 38395 N N . PRO V 4 185 ? 15.048 5.003 -12.173 1.00 54.11 ? 195 PRO d N 1 +ATOM 38396 C CA . PRO V 4 185 ? 14.834 3.911 -11.211 1.00 47.71 ? 195 PRO d CA 1 +ATOM 38397 C C . PRO V 4 185 ? 15.806 3.956 -10.042 1.00 52.28 ? 195 PRO d C 1 +ATOM 38398 O O . PRO V 4 185 ? 15.457 3.515 -8.942 1.00 44.49 ? 195 PRO d O 1 +ATOM 38399 C CB . PRO V 4 185 ? 15.005 2.639 -12.068 1.00 45.38 ? 195 PRO d CB 1 +ATOM 38400 C CG . PRO V 4 185 ? 15.703 3.073 -13.296 1.00 42.70 ? 195 PRO d CG 1 +ATOM 38401 C CD . PRO V 4 185 ? 15.304 4.499 -13.540 1.00 42.42 ? 195 PRO d CD 1 +ATOM 38402 N N . PHE V 4 186 ? 17.000 4.512 -10.245 1.00 44.01 ? 196 PHE d N 1 +ATOM 38403 C CA . PHE V 4 186 ? 17.943 4.710 -9.148 1.00 47.15 ? 196 PHE d CA 1 +ATOM 38404 C C . PHE V 4 186 ? 17.438 5.740 -8.137 1.00 48.07 ? 196 PHE d C 1 +ATOM 38405 O O . PHE V 4 186 ? 17.691 5.601 -6.932 1.00 50.55 ? 196 PHE d O 1 +ATOM 38406 C CB . PHE V 4 186 ? 19.301 5.101 -9.728 1.00 45.01 ? 196 PHE d CB 1 +ATOM 38407 C CG . PHE V 4 186 ? 19.972 3.974 -10.422 1.00 49.31 ? 196 PHE d CG 1 +ATOM 38408 C CD1 . PHE V 4 186 ? 20.522 2.932 -9.678 1.00 49.80 ? 196 PHE d CD1 1 +ATOM 38409 C CD2 . PHE V 4 186 ? 19.993 3.895 -11.799 1.00 48.00 ? 196 PHE d CD2 1 +ATOM 38410 C CE1 . PHE V 4 186 ? 21.113 1.844 -10.302 1.00 54.51 ? 196 PHE d CE1 1 +ATOM 38411 C CE2 . PHE V 4 186 ? 20.591 2.806 -12.434 1.00 55.51 ? 196 PHE d CE2 1 +ATOM 38412 C CZ . PHE V 4 186 ? 21.154 1.786 -11.682 1.00 57.65 ? 196 PHE d CZ 1 +ATOM 38413 N N . HIS V 4 187 ? 16.713 6.766 -8.591 1.00 44.00 ? 197 HIS d N 1 +ATOM 38414 C CA . HIS V 4 187 ? 16.088 7.671 -7.635 1.00 40.76 ? 197 HIS d CA 1 +ATOM 38415 C C . HIS V 4 187 ? 14.937 6.970 -6.910 1.00 49.65 ? 197 HIS d C 1 +ATOM 38416 O O . HIS V 4 187 ? 14.733 7.169 -5.705 1.00 49.23 ? 197 HIS d O 1 +ATOM 38417 C CB . HIS V 4 187 ? 15.609 8.960 -8.327 1.00 36.29 ? 197 HIS d CB 1 +ATOM 38418 C CG . HIS V 4 187 ? 15.074 9.986 -7.368 1.00 53.54 ? 197 HIS d CG 1 +ATOM 38419 N ND1 . HIS V 4 187 ? 13.729 10.278 -7.256 1.00 45.68 ? 197 HIS d ND1 1 +ATOM 38420 C CD2 . HIS V 4 187 ? 15.700 10.742 -6.430 1.00 43.53 ? 197 HIS d CD2 1 +ATOM 38421 C CE1 . HIS V 4 187 ? 13.551 11.191 -6.315 1.00 45.76 ? 197 HIS d CE1 1 +ATOM 38422 N NE2 . HIS V 4 187 ? 14.731 11.488 -5.793 1.00 49.39 ? 197 HIS d NE2 1 +ATOM 38423 N N . MET V 4 188 ? 14.175 6.140 -7.634 1.00 47.39 ? 198 MET d N 1 +ATOM 38424 C CA . MET V 4 188 ? 13.061 5.435 -7.004 1.00 44.24 ? 198 MET d CA 1 +ATOM 38425 C C . MET V 4 188 ? 13.559 4.530 -5.884 1.00 42.97 ? 198 MET d C 1 +ATOM 38426 O O . MET V 4 188 ? 12.954 4.460 -4.811 1.00 45.46 ? 198 MET d O 1 +ATOM 38427 C CB . MET V 4 188 ? 12.297 4.634 -8.067 1.00 37.66 ? 198 MET d CB 1 +ATOM 38428 C CG . MET V 4 188 ? 11.636 5.491 -9.143 1.00 46.69 ? 198 MET d CG 1 +ATOM 38429 S SD . MET V 4 188 ? 11.152 4.578 -10.624 1.00 46.55 ? 198 MET d SD 1 +ATOM 38430 C CE . MET V 4 188 ? 10.073 5.758 -11.476 1.00 40.65 ? 198 MET d CE 1 +ATOM 38431 N N . MET V 4 189 ? 14.662 3.823 -6.120 1.00 43.22 ? 199 MET d N 1 +ATOM 38432 C CA . MET V 4 189 ? 15.243 2.990 -5.079 1.00 43.02 ? 199 MET d CA 1 +ATOM 38433 C C . MET V 4 189 ? 15.699 3.837 -3.891 1.00 45.11 ? 199 MET d C 1 +ATOM 38434 O O . MET V 4 189 ? 15.516 3.447 -2.734 1.00 50.35 ? 199 MET d O 1 +ATOM 38435 C CB . MET V 4 189 ? 16.391 2.172 -5.662 1.00 42.00 ? 199 MET d CB 1 +ATOM 38436 C CG . MET V 4 189 ? 15.920 1.093 -6.641 1.00 47.42 ? 199 MET d CG 1 +ATOM 38437 S SD . MET V 4 189 ? 17.227 -0.108 -6.962 1.00 50.76 ? 199 MET d SD 1 +ATOM 38438 C CE . MET V 4 189 ? 18.242 0.801 -8.112 1.00 48.16 ? 199 MET d CE 1 +ATOM 38439 N N . GLY V 4 190 ? 16.275 5.011 -4.156 1.00 46.64 ? 200 GLY d N 1 +ATOM 38440 C CA . GLY V 4 190 ? 16.614 5.906 -3.062 1.00 44.87 ? 200 GLY d CA 1 +ATOM 38441 C C . GLY V 4 190 ? 15.394 6.386 -2.292 1.00 47.91 ? 200 GLY d C 1 +ATOM 38442 O O . GLY V 4 190 ? 15.426 6.491 -1.067 1.00 47.21 ? 200 GLY d O 1 +ATOM 38443 N N . VAL V 4 191 ? 14.305 6.700 -3.001 1.00 47.04 ? 201 VAL d N 1 +ATOM 38444 C CA . VAL V 4 191 ? 13.075 7.098 -2.316 1.00 49.15 ? 201 VAL d CA 1 +ATOM 38445 C C . VAL V 4 191 ? 12.596 5.980 -1.400 1.00 48.58 ? 201 VAL d C 1 +ATOM 38446 O O . VAL V 4 191 ? 12.237 6.216 -0.235 1.00 51.26 ? 201 VAL d O 1 +ATOM 38447 C CB . VAL V 4 191 ? 11.997 7.495 -3.342 1.00 45.95 ? 201 VAL d CB 1 +ATOM 38448 C CG1 . VAL V 4 191 ? 10.649 7.715 -2.640 1.00 45.39 ? 201 VAL d CG1 1 +ATOM 38449 C CG2 . VAL V 4 191 ? 12.427 8.750 -4.079 1.00 41.67 ? 201 VAL d CG2 1 +ATOM 38450 N N A ALA V 4 192 ? 12.572 4.745 -1.913 0.40 44.08 ? 202 ALA d N 1 +ATOM 38451 N N B ALA V 4 192 ? 12.613 4.741 -1.915 0.60 44.01 ? 202 ALA d N 1 +ATOM 38452 C CA A ALA V 4 192 ? 12.167 3.583 -1.124 0.40 47.12 ? 202 ALA d CA 1 +ATOM 38453 C CA B ALA V 4 192 ? 12.215 3.572 -1.134 0.60 47.17 ? 202 ALA d CA 1 +ATOM 38454 C C A ALA V 4 192 ? 13.058 3.396 0.099 0.40 47.31 ? 202 ALA d C 1 +ATOM 38455 C C B ALA V 4 192 ? 13.093 3.393 0.101 0.60 47.36 ? 202 ALA d C 1 +ATOM 38456 O O A ALA V 4 192 ? 12.568 3.081 1.188 0.40 45.43 ? 202 ALA d O 1 +ATOM 38457 O O B ALA V 4 192 ? 12.592 3.070 1.185 0.60 45.38 ? 202 ALA d O 1 +ATOM 38458 C CB A ALA V 4 192 ? 12.196 2.330 -2.002 0.40 46.14 ? 202 ALA d CB 1 +ATOM 38459 C CB B ALA V 4 192 ? 12.272 2.324 -2.016 0.60 46.08 ? 202 ALA d CB 1 +ATOM 38460 N N A GLY V 4 193 ? 14.370 3.600 -0.052 0.40 44.27 ? 203 GLY d N 1 +ATOM 38461 N N B GLY V 4 193 ? 14.406 3.605 -0.037 0.60 44.25 ? 203 GLY d N 1 +ATOM 38462 C CA A GLY V 4 193 ? 15.260 3.457 1.091 0.40 47.96 ? 203 GLY d CA 1 +ATOM 38463 C CA B GLY V 4 193 ? 15.288 3.455 1.113 0.60 47.96 ? 203 GLY d CA 1 +ATOM 38464 C C A GLY V 4 193 ? 15.033 4.522 2.150 0.40 55.04 ? 203 GLY d C 1 +ATOM 38465 C C B GLY V 4 193 ? 15.077 4.528 2.165 0.60 55.36 ? 203 GLY d C 1 +ATOM 38466 O O A GLY V 4 193 ? 15.061 4.236 3.357 0.40 53.35 ? 203 GLY d O 1 +ATOM 38467 O O B GLY V 4 193 ? 15.131 4.254 3.372 0.60 53.56 ? 203 GLY d O 1 +ATOM 38468 N N A VAL V 4 194 ? 14.809 5.764 1.717 0.40 47.38 ? 204 VAL d N 1 +ATOM 38469 N N B VAL V 4 194 ? 14.834 5.764 1.729 0.60 47.38 ? 204 VAL d N 1 +ATOM 38470 C CA A VAL V 4 194 ? 14.609 6.848 2.672 0.40 45.47 ? 204 VAL d CA 1 +ATOM 38471 C CA B VAL V 4 194 ? 14.635 6.848 2.681 0.60 45.37 ? 204 VAL d CA 1 +ATOM 38472 C C A VAL V 4 194 ? 13.254 6.710 3.353 0.40 47.42 ? 204 VAL d C 1 +ATOM 38473 C C B VAL V 4 194 ? 13.275 6.722 3.355 0.60 47.48 ? 204 VAL d C 1 +ATOM 38474 O O A VAL V 4 194 ? 13.142 6.811 4.581 0.40 49.11 ? 204 VAL d O 1 +ATOM 38475 O O B VAL V 4 194 ? 13.159 6.826 4.581 0.60 49.29 ? 204 VAL d O 1 +ATOM 38476 C CB A VAL V 4 194 ? 14.754 8.214 1.974 0.40 50.65 ? 204 VAL d CB 1 +ATOM 38477 C CB B VAL V 4 194 ? 14.799 8.213 1.981 0.60 50.77 ? 204 VAL d CB 1 +ATOM 38478 C CG1 A VAL V 4 194 ? 14.201 9.322 2.852 0.40 43.21 ? 204 VAL d CG1 1 +ATOM 38479 C CG1 B VAL V 4 194 ? 14.284 9.327 2.871 0.60 43.11 ? 204 VAL d CG1 1 +ATOM 38480 C CG2 A VAL V 4 194 ? 16.203 8.496 1.650 0.40 50.23 ? 204 VAL d CG2 1 +ATOM 38481 C CG2 B VAL V 4 194 ? 16.251 8.456 1.641 0.60 50.35 ? 204 VAL d CG2 1 +ATOM 38482 N N A LEU V 4 195 ? 12.195 6.487 2.571 0.40 48.47 ? 205 LEU d N 1 +ATOM 38483 N N B LEU V 4 195 ? 12.218 6.520 2.567 0.60 48.63 ? 205 LEU d N 1 +ATOM 38484 C CA A LEU V 4 195 ? 10.885 6.356 3.197 0.40 46.72 ? 205 LEU d CA 1 +ATOM 38485 C CA B LEU V 4 195 ? 10.904 6.376 3.178 0.60 46.76 ? 205 LEU d CA 1 +ATOM 38486 C C A LEU V 4 195 ? 10.786 5.049 3.969 0.40 48.08 ? 205 LEU d C 1 +ATOM 38487 C C B LEU V 4 195 ? 10.829 5.084 3.978 0.60 48.09 ? 205 LEU d C 1 +ATOM 38488 O O A LEU V 4 195 ? 10.140 4.996 5.022 0.40 46.11 ? 205 LEU d O 1 +ATOM 38489 O O B LEU V 4 195 ? 10.209 5.046 5.048 0.60 46.13 ? 205 LEU d O 1 +ATOM 38490 C CB A LEU V 4 195 ? 9.774 6.456 2.147 0.40 45.74 ? 205 LEU d CB 1 +ATOM 38491 C CB B LEU V 4 195 ? 9.806 6.427 2.111 0.60 45.72 ? 205 LEU d CB 1 +ATOM 38492 C CG A LEU V 4 195 ? 9.655 7.770 1.355 0.40 49.17 ? 205 LEU d CG 1 +ATOM 38493 C CG B LEU V 4 195 ? 9.625 7.731 1.310 0.60 49.25 ? 205 LEU d CG 1 +ATOM 38494 C CD1 A LEU V 4 195 ? 8.481 7.676 0.395 0.40 41.72 ? 205 LEU d CD1 1 +ATOM 38495 C CD1 B LEU V 4 195 ? 8.432 7.584 0.383 0.60 41.58 ? 205 LEU d CD1 1 +ATOM 38496 C CD2 A LEU V 4 195 ? 9.513 8.976 2.289 0.40 43.66 ? 205 LEU d CD2 1 +ATOM 38497 C CD2 B LEU V 4 195 ? 9.447 8.940 2.229 0.60 43.59 ? 205 LEU d CD2 1 +ATOM 38498 N N A GLY V 4 196 ? 11.415 3.982 3.459 0.40 44.89 ? 206 GLY d N 1 +ATOM 38499 N N B GLY V 4 196 ? 11.460 4.015 3.468 0.60 44.92 ? 206 GLY d N 1 +ATOM 38500 C CA A GLY V 4 196 ? 11.464 2.729 4.209 0.40 43.46 ? 206 GLY d CA 1 +ATOM 38501 C CA B GLY V 4 196 ? 11.518 2.763 4.206 0.60 43.42 ? 206 GLY d CA 1 +ATOM 38502 C C A GLY V 4 196 ? 12.263 2.846 5.496 0.40 46.32 ? 206 GLY d C 1 +ATOM 38503 C C B GLY V 4 196 ? 12.299 2.871 5.500 0.60 46.36 ? 206 GLY d C 1 +ATOM 38504 O O A GLY V 4 196 ? 11.929 2.217 6.503 0.40 47.69 ? 206 GLY d O 1 +ATOM 38505 O O B GLY V 4 196 ? 11.954 2.218 6.486 0.60 47.72 ? 206 GLY d O 1 +ATOM 38506 N N A GLY V 4 197 ? 13.326 3.658 5.483 0.40 45.43 ? 207 GLY d N 1 +ATOM 38507 N N B GLY V 4 197 ? 13.350 3.699 5.520 0.60 45.36 ? 207 GLY d N 1 +ATOM 38508 C CA A GLY V 4 197 ? 14.054 3.920 6.715 0.40 45.21 ? 207 GLY d CA 1 +ATOM 38509 C CA B GLY V 4 197 ? 14.085 3.913 6.754 0.60 45.14 ? 207 GLY d CA 1 +ATOM 38510 C C A GLY V 4 197 ? 13.220 4.671 7.738 0.40 49.42 ? 207 GLY d C 1 +ATOM 38511 C C B GLY V 4 197 ? 13.280 4.699 7.771 0.60 49.43 ? 207 GLY d C 1 +ATOM 38512 O O A GLY V 4 197 ? 13.211 4.315 8.919 0.40 53.12 ? 207 GLY d O 1 +ATOM 38513 O O B GLY V 4 197 ? 13.287 4.378 8.965 0.60 53.36 ? 207 GLY d O 1 +ATOM 38514 N N A ALA V 4 198 ? 12.489 5.704 7.296 0.40 47.22 ? 208 ALA d N 1 +ATOM 38515 N N B ALA V 4 198 ? 12.574 5.740 7.312 0.60 47.31 ? 208 ALA d N 1 +ATOM 38516 C CA A ALA V 4 198 ? 11.646 6.467 8.217 0.40 51.32 ? 208 ALA d CA 1 +ATOM 38517 C CA B ALA V 4 198 ? 11.700 6.494 8.203 0.60 51.45 ? 208 ALA d CA 1 +ATOM 38518 C C A ALA V 4 198 ? 10.510 5.605 8.756 0.40 50.71 ? 208 ALA d C 1 +ATOM 38519 C C B ALA V 4 198 ? 10.583 5.609 8.734 0.60 50.73 ? 208 ALA d C 1 +ATOM 38520 O O A ALA V 4 198 ? 10.153 5.709 9.938 0.40 48.87 ? 208 ALA d O 1 +ATOM 38521 O O B ALA V 4 198 ? 10.189 5.728 9.901 0.60 48.84 ? 208 ALA d O 1 +ATOM 38522 C CB A ALA V 4 198 ? 11.098 7.725 7.524 0.40 43.92 ? 208 ALA d CB 1 +ATOM 38523 C CB B ALA V 4 198 ? 11.128 7.715 7.471 0.60 43.82 ? 208 ALA d CB 1 +ATOM 38524 N N A LEU V 4 199 ? 9.934 4.747 7.902 0.40 49.36 ? 209 LEU d N 1 +ATOM 38525 N N B LEU V 4 199 ? 10.066 4.706 7.888 0.60 49.45 ? 209 LEU d N 1 +ATOM 38526 C CA A LEU V 4 199 ? 8.968 3.746 8.360 0.40 50.67 ? 209 LEU d CA 1 +ATOM 38527 C CA B LEU V 4 199 ? 9.067 3.738 8.334 0.60 50.76 ? 209 LEU d CA 1 +ATOM 38528 C C A LEU V 4 199 ? 9.566 2.846 9.441 0.40 50.98 ? 209 LEU d C 1 +ATOM 38529 C C B LEU V 4 199 ? 9.626 2.829 9.428 0.60 51.01 ? 209 LEU d C 1 +ATOM 38530 O O A LEU V 4 199 ? 8.945 2.614 10.487 0.40 52.03 ? 209 LEU d O 1 +ATOM 38531 O O B LEU V 4 199 ? 8.989 2.630 10.469 0.60 52.25 ? 209 LEU d O 1 +ATOM 38532 C CB A LEU V 4 199 ? 8.481 2.900 7.173 0.40 48.85 ? 209 LEU d CB 1 +ATOM 38533 C CB B LEU V 4 199 ? 8.572 2.908 7.137 0.60 48.79 ? 209 LEU d CB 1 +ATOM 38534 C CG A LEU V 4 199 ? 7.326 1.900 7.397 0.40 50.56 ? 209 LEU d CG 1 +ATOM 38535 C CG B LEU V 4 199 ? 7.410 1.913 7.347 0.60 50.73 ? 209 LEU d CG 1 +ATOM 38536 C CD1 A LEU V 4 199 ? 6.623 1.558 6.050 0.40 42.12 ? 209 LEU d CD1 1 +ATOM 38537 C CD1 B LEU V 4 199 ? 6.734 1.584 6.005 0.60 41.86 ? 209 LEU d CD1 1 +ATOM 38538 C CD2 A LEU V 4 199 ? 7.763 0.606 8.114 0.40 43.90 ? 209 LEU d CD2 1 +ATOM 38539 C CD2 B LEU V 4 199 ? 7.822 0.613 8.080 0.60 43.82 ? 209 LEU d CD2 1 +ATOM 38540 N N A LEU V 4 200 ? 10.760 2.297 9.187 0.40 47.89 ? 210 LEU d N 1 +ATOM 38541 N N B LEU V 4 200 ? 10.795 2.223 9.179 0.60 47.93 ? 210 LEU d N 1 +ATOM 38542 C CA A LEU V 4 200 ? 11.387 1.389 10.147 0.40 50.58 ? 210 LEU d CA 1 +ATOM 38543 C CA B LEU V 4 200 ? 11.404 1.320 10.156 0.60 50.57 ? 210 LEU d CA 1 +ATOM 38544 C C A LEU V 4 200 ? 11.673 2.095 11.463 0.40 54.60 ? 210 LEU d C 1 +ATOM 38545 C C B LEU V 4 200 ? 11.660 2.032 11.476 0.60 54.81 ? 210 LEU d C 1 +ATOM 38546 O O A LEU V 4 200 ? 11.429 1.542 12.544 0.40 52.58 ? 210 LEU d O 1 +ATOM 38547 O O B LEU V 4 200 ? 11.399 1.482 12.554 0.60 52.63 ? 210 LEU d O 1 +ATOM 38548 C CB A LEU V 4 200 ? 12.682 0.824 9.571 0.40 49.02 ? 210 LEU d CB 1 +ATOM 38549 C CB B LEU V 4 200 ? 12.712 0.759 9.602 0.60 49.01 ? 210 LEU d CB 1 +ATOM 38550 C CG A LEU V 4 200 ? 12.504 -0.305 8.557 0.40 51.70 ? 210 LEU d CG 1 +ATOM 38551 C CG B LEU V 4 200 ? 12.573 -0.383 8.598 0.60 51.91 ? 210 LEU d CG 1 +ATOM 38552 C CD1 A LEU V 4 200 ? 13.819 -0.563 7.827 0.40 47.40 ? 210 LEU d CD1 1 +ATOM 38553 C CD1 B LEU V 4 200 ? 13.921 -0.715 7.943 0.60 47.58 ? 210 LEU d CD1 1 +ATOM 38554 C CD2 A LEU V 4 200 ? 11.985 -1.570 9.252 0.40 44.56 ? 210 LEU d CD2 1 +ATOM 38555 C CD2 B LEU V 4 200 ? 11.968 -1.605 9.295 0.60 44.41 ? 210 LEU d CD2 1 +ATOM 38556 N N A CYS V 4 201 ? 12.204 3.316 11.381 0.40 47.62 ? 211 CYS d N 1 +ATOM 38557 N N B CYS V 4 201 ? 12.176 3.258 11.394 0.60 47.55 ? 211 CYS d N 1 +ATOM 38558 C CA A CYS V 4 201 ? 12.453 4.131 12.563 0.40 48.48 ? 211 CYS d CA 1 +ATOM 38559 C CA B CYS V 4 201 ? 12.425 4.084 12.570 0.60 48.39 ? 211 CYS d CA 1 +ATOM 38560 C C A CYS V 4 201 ? 11.192 4.264 13.397 0.40 48.04 ? 211 CYS d C 1 +ATOM 38561 C C B CYS V 4 201 ? 11.160 4.262 13.395 0.60 48.02 ? 211 CYS d C 1 +ATOM 38562 O O A CYS V 4 201 ? 11.190 3.978 14.597 0.40 53.14 ? 211 CYS d O 1 +ATOM 38563 O O B CYS V 4 201 ? 11.172 4.091 14.614 0.60 53.43 ? 211 CYS d O 1 +ATOM 38564 C CB A CYS V 4 201 ? 12.957 5.510 12.117 0.40 49.49 ? 211 CYS d CB 1 +ATOM 38565 C CB B CYS V 4 201 ? 12.965 5.441 12.107 0.60 49.62 ? 211 CYS d CB 1 +ATOM 38566 S SG A CYS V 4 201 ? 13.548 6.579 13.413 0.40 51.99 ? 211 CYS d SG 1 +ATOM 38567 S SG B CYS V 4 201 ? 13.494 6.555 13.394 0.60 51.86 ? 211 CYS d SG 1 +ATOM 38568 N N A ALA V 4 202 ? 10.102 4.700 12.767 0.40 50.47 ? 212 ALA d N 1 +ATOM 38569 N N B ALA V 4 202 ? 10.058 4.629 12.744 0.60 50.46 ? 212 ALA d N 1 +ATOM 38570 C CA A ALA V 4 202 ? 8.857 4.916 13.490 0.40 46.88 ? 212 ALA d CA 1 +ATOM 38571 C CA B ALA V 4 202 ? 8.823 4.864 13.477 0.60 46.77 ? 212 ALA d CA 1 +ATOM 38572 C C A ALA V 4 202 ? 8.321 3.617 14.061 0.40 52.07 ? 212 ALA d C 1 +ATOM 38573 C C B ALA V 4 202 ? 8.275 3.567 14.041 0.60 52.19 ? 212 ALA d C 1 +ATOM 38574 O O A ALA V 4 202 ? 7.887 3.562 15.218 0.40 51.36 ? 212 ALA d O 1 +ATOM 38575 O O B ALA V 4 202 ? 7.847 3.514 15.201 0.60 51.49 ? 212 ALA d O 1 +ATOM 38576 C CB A ALA V 4 202 ? 7.815 5.543 12.564 0.40 48.13 ? 212 ALA d CB 1 +ATOM 38577 C CB B ALA V 4 202 ? 7.788 5.523 12.569 0.60 48.13 ? 212 ALA d CB 1 +ATOM 38578 N N A ILE V 4 203 ? 8.343 2.556 13.261 0.40 53.02 ? 213 ILE d N 1 +ATOM 38579 N N B ILE V 4 203 ? 8.299 2.504 13.241 0.60 53.09 ? 213 ILE d N 1 +ATOM 38580 C CA A ILE V 4 203 ? 7.632 1.356 13.663 0.40 47.91 ? 213 ILE d CA 1 +ATOM 38581 C CA B ILE V 4 203 ? 7.618 1.288 13.647 0.60 47.95 ? 213 ILE d CA 1 +ATOM 38582 C C A ILE V 4 203 ? 8.413 0.606 14.735 0.40 52.10 ? 213 ILE d C 1 +ATOM 38583 C C B ILE V 4 203 ? 8.398 0.581 14.752 0.60 52.20 ? 213 ILE d C 1 +ATOM 38584 O O A ILE V 4 203 ? 7.817 -0.035 15.603 0.40 48.54 ? 213 ILE d O 1 +ATOM 38585 O O B ILE V 4 203 ? 7.803 -0.010 15.656 0.60 48.47 ? 213 ILE d O 1 +ATOM 38586 C CB A ILE V 4 203 ? 7.344 0.486 12.422 0.40 45.90 ? 213 ILE d CB 1 +ATOM 38587 C CB B ILE V 4 203 ? 7.371 0.379 12.427 0.60 45.91 ? 213 ILE d CB 1 +ATOM 38588 C CG1 A ILE V 4 203 ? 6.115 -0.385 12.657 0.40 53.79 ? 213 ILE d CG1 1 +ATOM 38589 C CG1 B ILE V 4 203 ? 6.156 -0.508 12.685 0.60 53.89 ? 213 ILE d CG1 1 +ATOM 38590 C CG2 A ILE V 4 203 ? 8.540 -0.409 12.070 0.40 44.79 ? 213 ILE d CG2 1 +ATOM 38591 C CG2 B ILE V 4 203 ? 8.583 -0.505 12.113 0.60 44.45 ? 213 ILE d CG2 1 +ATOM 38592 C CD1 A ILE V 4 203 ? 5.684 -1.141 11.395 0.40 56.43 ? 213 ILE d CD1 1 +ATOM 38593 C CD1 B ILE V 4 203 ? 5.767 -1.354 11.469 0.60 56.70 ? 213 ILE d CD1 1 +ATOM 38594 N N A HIS V 4 204 ? 9.745 0.670 14.697 0.40 44.78 ? 214 HIS d N 1 +ATOM 38595 N N B HIS V 4 204 ? 9.733 0.637 14.707 0.60 44.65 ? 214 HIS d N 1 +ATOM 38596 C CA A HIS V 4 204 ? 10.536 0.034 15.740 0.40 49.36 ? 214 HIS d CA 1 +ATOM 38597 C CA B HIS V 4 204 ? 10.526 -0.006 15.744 0.60 49.38 ? 214 HIS d CA 1 +ATOM 38598 C C A HIS V 4 204 ? 10.370 0.778 17.058 0.40 51.39 ? 214 HIS d C 1 +ATOM 38599 C C B HIS V 4 204 ? 10.393 0.742 17.065 0.60 51.38 ? 214 HIS d C 1 +ATOM 38600 O O A HIS V 4 204 ? 10.094 0.167 18.097 0.40 49.33 ? 214 HIS d O 1 +ATOM 38601 O O B HIS V 4 204 ? 10.172 0.131 18.115 0.60 49.35 ? 214 HIS d O 1 +ATOM 38602 C CB A HIS V 4 204 ? 12.004 -0.017 15.326 0.40 47.58 ? 214 HIS d CB 1 +ATOM 38603 C CB B HIS V 4 204 ? 11.989 -0.096 15.318 0.60 47.59 ? 214 HIS d CB 1 +ATOM 38604 C CG A HIS V 4 204 ? 12.895 -0.641 16.356 0.40 54.75 ? 214 HIS d CG 1 +ATOM 38605 C CG B HIS V 4 204 ? 12.872 -0.730 16.349 0.60 54.86 ? 214 HIS d CG 1 +ATOM 38606 N ND1 A HIS V 4 204 ? 12.620 -1.864 16.930 0.40 50.02 ? 214 HIS d ND1 1 +ATOM 38607 N ND1 B HIS V 4 204 ? 12.549 -1.913 16.977 0.60 50.00 ? 214 HIS d ND1 1 +ATOM 38608 C CD2 A HIS V 4 204 ? 14.054 -0.214 16.913 0.40 47.65 ? 214 HIS d CD2 1 +ATOM 38609 C CD2 B HIS V 4 204 ? 14.059 -0.338 16.872 0.60 47.61 ? 214 HIS d CD2 1 +ATOM 38610 C CE1 A HIS V 4 204 ? 13.572 -2.164 17.794 0.40 51.07 ? 214 HIS d CE1 1 +ATOM 38611 C CE1 B HIS V 4 204 ? 13.504 -2.229 17.831 0.60 51.06 ? 214 HIS d CE1 1 +ATOM 38612 N NE2 A HIS V 4 204 ? 14.453 -1.180 17.801 0.40 53.58 ? 214 HIS d NE2 1 +ATOM 38613 N NE2 B HIS V 4 204 ? 14.432 -1.292 17.786 0.60 53.64 ? 214 HIS d NE2 1 +ATOM 38614 N N A GLY V 4 205 ? 10.504 2.111 17.022 0.40 57.26 ? 215 GLY d N 1 +ATOM 38615 N N B GLY V 4 205 ? 10.494 2.074 17.020 0.60 57.52 ? 215 GLY d N 1 +ATOM 38616 C CA A GLY V 4 205 ? 10.337 2.898 18.235 0.40 50.58 ? 215 GLY d CA 1 +ATOM 38617 C CA B GLY V 4 205 ? 10.331 2.862 18.231 0.60 50.48 ? 215 GLY d CA 1 +ATOM 38618 C C A GLY V 4 205 ? 8.959 2.741 18.852 0.40 58.79 ? 215 GLY d C 1 +ATOM 38619 C C B GLY V 4 205 ? 8.956 2.697 18.847 0.60 59.01 ? 215 GLY d C 1 +ATOM 38620 O O A GLY V 4 205 ? 8.825 2.591 20.073 0.40 53.40 ? 215 GLY d O 1 +ATOM 38621 O O B GLY V 4 205 ? 8.822 2.557 20.068 0.60 53.40 ? 215 GLY d O 1 +ATOM 38622 N N A ALA V 4 206 ? 7.914 2.773 18.019 0.40 52.83 ? 216 ALA d N 1 +ATOM 38623 N N B ALA V 4 206 ? 7.913 2.693 18.014 0.60 52.81 ? 216 ALA d N 1 +ATOM 38624 C CA A ALA V 4 206 ? 6.565 2.600 18.543 0.40 52.87 ? 216 ALA d CA 1 +ATOM 38625 C CA B ALA V 4 206 ? 6.567 2.551 18.554 0.60 52.93 ? 216 ALA d CA 1 +ATOM 38626 C C A ALA V 4 206 ? 6.357 1.198 19.101 0.40 55.96 ? 216 ALA d C 1 +ATOM 38627 C C B ALA V 4 206 ? 6.347 1.167 19.140 0.60 56.10 ? 216 ALA d C 1 +ATOM 38628 O O A ALA V 4 206 ? 5.596 1.027 20.061 0.40 55.77 ? 216 ALA d O 1 +ATOM 38629 O O B ALA V 4 206 ? 5.621 1.028 20.132 0.60 55.89 ? 216 ALA d O 1 +ATOM 38630 C CB A ALA V 4 206 ? 5.534 2.886 17.453 0.40 48.89 ? 216 ALA d CB 1 +ATOM 38631 C CB B ALA V 4 206 ? 5.526 2.836 17.478 0.60 48.76 ? 216 ALA d CB 1 +ATOM 38632 N N A THR V 4 207 ? 7.011 0.188 18.510 0.40 51.49 ? 217 THR d N 1 +ATOM 38633 N N B THR V 4 207 ? 6.969 0.143 18.546 0.60 51.46 ? 217 THR d N 1 +ATOM 38634 C CA A THR V 4 207 ? 6.832 -1.183 18.973 0.40 48.19 ? 217 THR d CA 1 +ATOM 38635 C CA B THR V 4 207 ? 6.789 -1.227 19.007 0.60 48.09 ? 217 THR d CA 1 +ATOM 38636 C C A THR V 4 207 ? 7.474 -1.375 20.338 0.40 54.08 ? 217 THR d C 1 +ATOM 38637 C C B THR V 4 207 ? 7.463 -1.442 20.353 0.60 54.17 ? 217 THR d C 1 +ATOM 38638 O O A THR V 4 207 ? 6.837 -1.899 21.259 0.40 52.55 ? 217 THR d O 1 +ATOM 38639 O O B THR V 4 207 ? 6.858 -2.003 21.274 0.60 52.77 ? 217 THR d O 1 +ATOM 38640 C CB A THR V 4 207 ? 7.407 -2.192 17.972 0.40 51.97 ? 217 THR d CB 1 +ATOM 38641 C CB B THR V 4 207 ? 7.341 -2.213 17.971 0.60 52.06 ? 217 THR d CB 1 +ATOM 38642 O OG1 A THR V 4 207 ? 6.678 -2.128 16.742 0.40 50.28 ? 217 THR d OG1 1 +ATOM 38643 O OG1 B THR V 4 207 ? 6.608 -2.083 16.751 0.60 50.34 ? 217 THR d OG1 1 +ATOM 38644 C CG2 A THR V 4 207 ? 7.277 -3.640 18.525 0.40 50.14 ? 217 THR d CG2 1 +ATOM 38645 C CG2 B THR V 4 207 ? 7.224 -3.668 18.470 0.60 50.03 ? 217 THR d CG2 1 +ATOM 38646 N N A VAL V 4 208 ? 8.735 -0.949 20.486 0.40 50.84 ? 218 VAL d N 1 +ATOM 38647 N N B VAL V 4 208 ? 8.720 -1.004 20.481 0.60 50.91 ? 218 VAL d N 1 +ATOM 38648 C CA A VAL V 4 208 ? 9.411 -1.037 21.778 0.40 52.95 ? 218 VAL d CA 1 +ATOM 38649 C CA B VAL V 4 208 ? 9.410 -1.064 21.769 0.60 53.01 ? 218 VAL d CA 1 +ATOM 38650 C C A VAL V 4 208 ? 8.583 -0.335 22.852 0.40 55.56 ? 218 VAL d C 1 +ATOM 38651 C C B VAL V 4 208 ? 8.590 -0.346 22.835 0.60 55.68 ? 218 VAL d C 1 +ATOM 38652 O O A VAL V 4 208 ? 8.251 -0.920 23.884 0.40 52.40 ? 218 VAL d O 1 +ATOM 38653 O O B VAL V 4 208 ? 8.280 -0.905 23.891 0.60 52.44 ? 218 VAL d O 1 +ATOM 38654 C CB A VAL V 4 208 ? 10.839 -0.461 21.684 0.40 57.39 ? 218 VAL d CB 1 +ATOM 38655 C CB B VAL V 4 208 ? 10.826 -0.467 21.650 0.60 57.56 ? 218 VAL d CB 1 +ATOM 38656 C CG1 A VAL V 4 208 ? 11.443 -0.323 23.075 0.40 51.00 ? 218 VAL d CG1 1 +ATOM 38657 C CG1 B VAL V 4 208 ? 11.430 -0.256 23.032 0.60 50.95 ? 218 VAL d CG1 1 +ATOM 38658 C CG2 A VAL V 4 208 ? 11.742 -1.350 20.801 0.40 45.73 ? 218 VAL d CG2 1 +ATOM 38659 C CG2 B VAL V 4 208 ? 11.726 -1.366 20.796 0.60 45.58 ? 218 VAL d CG2 1 +ATOM 38660 N N A GLU V 4 209 ? 8.171 0.902 22.584 0.40 53.37 ? 219 GLU d N 1 +ATOM 38661 N N B GLU V 4 209 ? 8.183 0.892 22.546 0.60 53.46 ? 219 GLU d N 1 +ATOM 38662 C CA A GLU V 4 209 ? 7.454 1.690 23.573 0.40 53.42 ? 219 GLU d CA 1 +ATOM 38663 C CA B GLU V 4 209 ? 7.469 1.705 23.519 0.60 53.36 ? 219 GLU d CA 1 +ATOM 38664 C C A GLU V 4 209 ? 6.113 1.088 23.961 0.40 52.10 ? 219 GLU d C 1 +ATOM 38665 C C B GLU V 4 209 ? 6.116 1.131 23.910 0.60 51.98 ? 219 GLU d C 1 +ATOM 38666 O O A GLU V 4 209 ? 5.545 1.486 24.986 0.40 56.43 ? 219 GLU d O 1 +ATOM 38667 O O B GLU V 4 209 ? 5.554 1.560 24.922 0.60 56.67 ? 219 GLU d O 1 +ATOM 38668 C CB A GLU V 4 209 ? 7.267 3.116 23.052 0.40 52.09 ? 219 GLU d CB 1 +ATOM 38669 C CB B GLU V 4 209 ? 7.315 3.129 22.977 0.60 51.93 ? 219 GLU d CB 1 +ATOM 38670 C CG A GLU V 4 209 ? 8.514 3.932 23.244 0.40 54.11 ? 219 GLU d CG 1 +ATOM 38671 C CG B GLU V 4 209 ? 8.546 3.958 23.252 0.60 54.07 ? 219 GLU d CG 1 +ATOM 38672 C CD A GLU V 4 209 ? 8.824 4.099 24.731 0.40 63.92 ? 219 GLU d CD 1 +ATOM 38673 C CD B GLU V 4 209 ? 8.835 4.021 24.747 0.60 64.14 ? 219 GLU d CD 1 +ATOM 38674 O OE1 A GLU V 4 209 ? 8.123 4.893 25.389 0.40 61.95 ? 219 GLU d OE1 1 +ATOM 38675 O OE1 B GLU V 4 209 ? 8.055 4.672 25.468 0.60 62.45 ? 219 GLU d OE1 1 +ATOM 38676 O OE2 A GLU V 4 209 ? 9.740 3.420 25.235 0.40 62.27 ? 219 GLU d OE2 1 +ATOM 38677 O OE2 B GLU V 4 209 ? 9.817 3.400 25.206 0.60 62.55 ? 219 GLU d OE2 1 +ATOM 38678 N N A ASN V 4 210 ? 5.588 0.139 23.190 0.40 50.85 ? 220 ASN d N 1 +ATOM 38679 N N B ASN V 4 210 ? 5.589 0.168 23.163 0.60 50.72 ? 220 ASN d N 1 +ATOM 38680 C CA A ASN V 4 210 ? 4.261 -0.388 23.483 0.40 57.84 ? 220 ASN d CA 1 +ATOM 38681 C CA B ASN V 4 210 ? 4.271 -0.378 23.459 0.60 57.99 ? 220 ASN d CA 1 +ATOM 38682 C C A ASN V 4 210 ? 4.265 -1.879 23.765 0.40 55.73 ? 220 ASN d C 1 +ATOM 38683 C C B ASN V 4 210 ? 4.295 -1.879 23.730 0.60 55.81 ? 220 ASN d C 1 +ATOM 38684 O O A ASN V 4 210 ? 3.186 -2.491 23.849 0.40 54.62 ? 220 ASN d O 1 +ATOM 38685 O O B ASN V 4 210 ? 3.226 -2.505 23.792 0.60 54.65 ? 220 ASN d O 1 +ATOM 38686 C CB A ASN V 4 210 ? 3.297 -0.044 22.350 0.40 54.86 ? 220 ASN d CB 1 +ATOM 38687 C CB B ASN V 4 210 ? 3.301 -0.039 22.325 0.60 54.88 ? 220 ASN d CB 1 +ATOM 38688 C CG A ASN V 4 210 ? 2.903 1.422 22.373 0.40 56.54 ? 220 ASN d CG 1 +ATOM 38689 C CG B ASN V 4 210 ? 2.867 1.423 22.356 0.60 56.65 ? 220 ASN d CG 1 +ATOM 38690 O OD1 A ASN V 4 210 ? 1.937 1.797 23.030 0.40 58.19 ? 220 ASN d OD1 1 +ATOM 38691 O OD1 B ASN V 4 210 ? 1.870 1.767 22.985 0.60 58.43 ? 220 ASN d OD1 1 +ATOM 38692 N ND2 A ASN V 4 210 ? 3.672 2.262 21.684 0.40 51.39 ? 220 ASN d ND2 1 +ATOM 38693 N ND2 B ASN V 4 210 ? 3.618 2.285 21.680 0.60 51.28 ? 220 ASN d ND2 1 +ATOM 38694 N N A THR V 4 211 ? 5.451 -2.479 23.904 0.40 51.13 ? 221 THR d N 1 +ATOM 38695 N N B THR V 4 211 ? 5.483 -2.473 23.880 0.60 51.02 ? 221 THR d N 1 +ATOM 38696 C CA A THR V 4 211 ? 5.605 -3.821 24.449 0.40 54.26 ? 221 THR d CA 1 +ATOM 38697 C CA B THR V 4 211 ? 5.638 -3.818 24.425 0.60 54.29 ? 221 THR d CA 1 +ATOM 38698 C C A THR V 4 211 ? 6.536 -3.814 25.663 0.40 52.08 ? 221 THR d C 1 +ATOM 38699 C C B THR V 4 211 ? 6.583 -3.796 25.627 0.60 52.05 ? 221 THR d C 1 +ATOM 38700 O O A THR V 4 211 ? 7.139 -4.840 25.986 0.40 52.41 ? 221 THR d O 1 +ATOM 38701 O O B THR V 4 211 ? 7.264 -4.782 25.918 0.60 52.39 ? 221 THR d O 1 +ATOM 38702 C CB A THR V 4 211 ? 6.108 -4.806 23.384 0.40 49.68 ? 221 THR d CB 1 +ATOM 38703 C CB B THR V 4 211 ? 6.126 -4.811 23.362 0.60 49.58 ? 221 THR d CB 1 +ATOM 38704 O OG1 A THR V 4 211 ? 7.295 -4.297 22.757 0.40 53.52 ? 221 THR d OG1 1 +ATOM 38705 O OG1 B THR V 4 211 ? 7.335 -4.339 22.749 0.60 53.60 ? 221 THR d OG1 1 +ATOM 38706 C CG2 A THR V 4 211 ? 5.027 -5.088 22.342 0.40 50.15 ? 221 THR d CG2 1 +ATOM 38707 C CG2 B THR V 4 211 ? 5.055 -5.046 22.307 0.60 50.21 ? 221 THR d CG2 1 +ATOM 38708 N N A LEU V 4 212 ? 6.672 -2.662 26.314 0.40 55.96 ? 222 LEU d N 1 +ATOM 38709 N N B LEU V 4 212 ? 6.629 -2.658 26.322 0.60 55.99 ? 222 LEU d N 1 +ATOM 38710 C CA A LEU V 4 212 ? 7.537 -2.521 27.480 0.40 61.60 ? 222 LEU d CA 1 +ATOM 38711 C CA B LEU V 4 212 ? 7.491 -2.505 27.486 0.60 61.80 ? 222 LEU d CA 1 +ATOM 38712 C C A LEU V 4 212 ? 7.080 -3.443 28.591 0.40 59.99 ? 222 LEU d C 1 +ATOM 38713 C C B LEU V 4 212 ? 7.051 -3.446 28.592 0.60 60.12 ? 222 LEU d C 1 +ATOM 38714 O O A LEU V 4 212 ? 5.882 -3.672 28.774 0.40 61.01 ? 222 LEU d O 1 +ATOM 38715 O O B LEU V 4 212 ? 5.856 -3.694 28.782 0.60 61.15 ? 222 LEU d O 1 +ATOM 38716 C CB A LEU V 4 212 ? 7.525 -1.081 27.999 0.40 56.99 ? 222 LEU d CB 1 +ATOM 38717 C CB B LEU V 4 212 ? 7.456 -1.064 28.004 0.60 56.96 ? 222 LEU d CB 1 +ATOM 38718 C CG A LEU V 4 212 ? 8.127 0.052 27.173 0.40 57.31 ? 222 LEU d CG 1 +ATOM 38719 C CG B LEU V 4 212 ? 8.101 0.035 27.158 0.60 57.35 ? 222 LEU d CG 1 +ATOM 38720 C CD1 A LEU V 4 212 ? 7.837 1.357 27.891 0.40 52.09 ? 222 LEU d CD1 1 +ATOM 38721 C CD1 B LEU V 4 212 ? 7.882 1.381 27.832 0.60 52.01 ? 222 LEU d CD1 1 +ATOM 38722 C CD2 A LEU V 4 212 ? 9.617 -0.144 26.983 0.40 55.04 ? 222 LEU d CD2 1 +ATOM 38723 C CD2 B LEU V 4 212 ? 9.581 -0.239 26.963 0.60 55.00 ? 222 LEU d CD2 1 +ATOM 38724 N N A PHE V 4 213 ? 8.044 -3.992 29.315 0.40 58.97 ? 223 PHE d N 1 +ATOM 38725 N N B PHE V 4 213 ? 8.029 -3.989 29.307 0.60 59.07 ? 223 PHE d N 1 +ATOM 38726 C CA A PHE V 4 213 ? 7.746 -4.677 30.562 0.40 60.58 ? 223 PHE d CA 1 +ATOM 38727 C CA B PHE V 4 213 ? 7.753 -4.677 30.556 0.60 60.61 ? 223 PHE d CA 1 +ATOM 38728 C C A PHE V 4 213 ? 7.487 -3.651 31.662 0.40 64.22 ? 223 PHE d C 1 +ATOM 38729 C C B PHE V 4 213 ? 7.492 -3.655 31.653 0.60 64.35 ? 223 PHE d C 1 +ATOM 38730 O O A PHE V 4 213 ? 8.080 -2.564 31.676 0.40 56.46 ? 223 PHE d O 1 +ATOM 38731 O O B PHE V 4 213 ? 8.105 -2.579 31.677 0.60 56.37 ? 223 PHE d O 1 +ATOM 38732 C CB A PHE V 4 213 ? 8.902 -5.590 30.953 0.40 58.50 ? 223 PHE d CB 1 +ATOM 38733 C CB B PHE V 4 213 ? 8.925 -5.580 30.936 0.60 58.42 ? 223 PHE d CB 1 +ATOM 38734 C CG A PHE V 4 213 ? 8.990 -6.830 30.121 0.40 59.23 ? 223 PHE d CG 1 +ATOM 38735 C CG B PHE V 4 213 ? 9.010 -6.832 30.117 0.60 59.28 ? 223 PHE d CG 1 +ATOM 38736 C CD1 A PHE V 4 213 ? 7.954 -7.756 30.131 0.40 54.07 ? 223 PHE d CD1 1 +ATOM 38737 C CD1 B PHE V 4 213 ? 7.954 -7.736 30.108 0.60 53.93 ? 223 PHE d CD1 1 +ATOM 38738 C CD2 A PHE V 4 213 ? 10.108 -7.079 29.338 0.40 54.74 ? 223 PHE d CD2 1 +ATOM 38739 C CD2 B PHE V 4 213 ? 10.144 -7.117 29.370 0.60 54.69 ? 223 PHE d CD2 1 +ATOM 38740 C CE1 A PHE V 4 213 ? 8.028 -8.905 29.380 0.40 53.05 ? 223 PHE d CE1 1 +ATOM 38741 C CE1 B PHE V 4 213 ? 8.022 -8.896 29.365 0.60 52.90 ? 223 PHE d CE1 1 +ATOM 38742 C CE2 A PHE V 4 213 ? 10.191 -8.216 28.579 0.40 54.10 ? 223 PHE d CE2 1 +ATOM 38743 C CE2 B PHE V 4 213 ? 10.222 -8.278 28.626 0.60 54.06 ? 223 PHE d CE2 1 +ATOM 38744 C CZ A PHE V 4 213 ? 9.148 -9.142 28.598 0.40 61.02 ? 223 PHE d CZ 1 +ATOM 38745 C CZ B PHE V 4 213 ? 9.158 -9.173 28.622 0.60 61.13 ? 223 PHE d CZ 1 +ATOM 38746 N N A GLN V 4 214 ? 6.573 -3.985 32.579 0.40 60.50 ? 224 GLN d N 1 +ATOM 38747 N N B GLN V 4 214 ? 6.559 -3.975 32.552 0.60 60.48 ? 224 GLN d N 1 +ATOM 38748 C CA A GLN V 4 214 ? 6.325 -3.085 33.710 0.40 69.80 ? 224 GLN d CA 1 +ATOM 38749 C CA B GLN V 4 214 ? 6.314 -3.083 33.688 0.60 70.04 ? 224 GLN d CA 1 +ATOM 38750 C C A GLN V 4 214 ? 7.425 -3.305 34.736 0.40 62.16 ? 224 GLN d C 1 +ATOM 38751 C C B GLN V 4 214 ? 7.406 -3.330 34.717 0.60 62.12 ? 224 GLN d C 1 +ATOM 38752 O O A GLN V 4 214 ? 7.387 -4.264 35.501 0.40 64.90 ? 224 GLN d O 1 +ATOM 38753 O O B GLN V 4 214 ? 7.330 -4.265 35.513 0.60 64.95 ? 224 GLN d O 1 +ATOM 38754 C CB A GLN V 4 214 ? 4.953 -3.305 34.336 0.40 61.08 ? 224 GLN d CB 1 +ATOM 38755 C CB B GLN V 4 214 ? 4.935 -3.287 34.299 0.60 60.91 ? 224 GLN d CB 1 +ATOM 38756 C CG A GLN V 4 214 ? 4.722 -2.291 35.449 0.40 73.03 ? 224 GLN d CG 1 +ATOM 38757 C CG B GLN V 4 214 ? 4.761 -2.386 35.509 0.60 73.22 ? 224 GLN d CG 1 +ATOM 38758 C CD A GLN V 4 214 ? 3.369 -2.401 36.119 0.40 80.55 ? 224 GLN d CD 1 +ATOM 38759 C CD B GLN V 4 214 ? 3.394 -2.464 36.147 0.60 80.70 ? 224 GLN d CD 1 +ATOM 38760 O OE1 A GLN V 4 214 ? 2.481 -3.134 35.669 0.40 82.36 ? 224 GLN d OE1 1 +ATOM 38761 O OE1 B GLN V 4 214 ? 2.504 -3.172 35.674 0.60 82.53 ? 224 GLN d OE1 1 +ATOM 38762 N NE2 A GLN V 4 214 ? 3.203 -1.658 37.207 0.40 86.82 ? 224 GLN d NE2 1 +ATOM 38763 N NE2 B GLN V 4 214 ? 3.217 -1.722 37.234 0.60 87.03 ? 224 GLN d NE2 1 +ATOM 38764 N N A ASP V 4 215 ? 8.424 -2.432 34.741 0.40 62.45 ? 225 ASP d N 1 +ATOM 38765 N N B ASP V 4 215 ? 8.438 -2.494 34.692 0.60 62.37 ? 225 ASP d N 1 +ATOM 38766 C CA A ASP V 4 215 ? 9.577 -2.597 35.613 0.40 70.27 ? 225 ASP d CA 1 +ATOM 38767 C CA B ASP V 4 215 ? 9.580 -2.647 35.580 0.60 70.30 ? 225 ASP d CA 1 +ATOM 38768 C C A ASP V 4 215 ? 9.666 -1.500 36.663 0.40 66.77 ? 225 ASP d C 1 +ATOM 38769 C C B ASP V 4 215 ? 9.633 -1.556 36.639 0.60 66.80 ? 225 ASP d C 1 +ATOM 38770 O O A ASP V 4 215 ? 10.723 -1.308 37.267 0.40 70.03 ? 225 ASP d O 1 +ATOM 38771 O O B ASP V 4 215 ? 10.691 -1.322 37.223 0.60 70.06 ? 225 ASP d O 1 +ATOM 38772 C CB A ASP V 4 215 ? 10.859 -2.651 34.789 0.40 63.52 ? 225 ASP d CB 1 +ATOM 38773 C CB B ASP V 4 215 ? 10.870 -2.673 34.768 0.60 63.40 ? 225 ASP d CB 1 +ATOM 38774 C CG A ASP V 4 215 ? 10.964 -3.919 34.003 0.40 72.68 ? 225 ASP d CG 1 +ATOM 38775 C CG B ASP V 4 215 ? 11.034 -3.962 34.015 0.60 72.91 ? 225 ASP d CG 1 +ATOM 38776 O OD1 A ASP V 4 215 ? 10.304 -4.903 34.414 0.40 68.83 ? 225 ASP d OD1 1 +ATOM 38777 O OD1 B ASP V 4 215 ? 10.485 -4.981 34.490 0.60 69.35 ? 225 ASP d OD1 1 +ATOM 38778 O OD2 A ASP V 4 215 ? 11.688 -3.934 32.977 0.40 72.01 ? 225 ASP d OD2 1 +ATOM 38779 O OD2 B ASP V 4 215 ? 11.696 -3.959 32.952 0.60 72.18 ? 225 ASP d OD2 1 +ATOM 38780 N N A GLY V 4 216 ? 8.578 -0.769 36.867 0.40 63.99 ? 226 GLY d N 1 +ATOM 38781 N N B GLY V 4 216 ? 8.513 -0.886 36.880 0.60 64.01 ? 226 GLY d N 1 +ATOM 38782 C CA A GLY V 4 216 ? 8.467 0.271 37.864 0.40 59.21 ? 226 GLY d CA 1 +ATOM 38783 C CA B GLY V 4 216 ? 8.414 0.181 37.856 0.60 58.98 ? 226 GLY d CA 1 +ATOM 38784 C C A GLY V 4 216 ? 6.991 0.512 38.082 0.40 77.21 ? 226 GLY d C 1 +ATOM 38785 C C B GLY V 4 216 ? 6.952 0.495 38.073 0.60 77.40 ? 226 GLY d C 1 +ATOM 38786 O O A GLY V 4 216 ? 6.136 -0.095 37.430 0.40 69.76 ? 226 GLY d O 1 +ATOM 38787 O O B GLY V 4 216 ? 6.069 -0.065 37.415 0.60 69.73 ? 226 GLY d O 1 +ATOM 38788 N N . GLU V 4 217 ? 6.696 1.414 39.008 1.00 69.90 ? 227 GLU d N 1 +ATOM 38789 C CA . GLU V 4 217 ? 5.327 1.727 39.375 1.00 70.56 ? 227 GLU d CA 1 +ATOM 38790 C C . GLU V 4 217 ? 4.866 3.086 38.883 1.00 72.13 ? 227 GLU d C 1 +ATOM 38791 O O . GLU V 4 217 ? 3.661 3.355 38.921 1.00 67.43 ? 227 GLU d O 1 +ATOM 38792 C CB . GLU V 4 217 ? 5.156 1.661 40.902 1.00 86.08 ? 227 GLU d CB 1 +ATOM 38793 C CG . GLU V 4 217 ? 5.510 0.300 41.508 1.00 103.56 ? 227 GLU d CG 1 +ATOM 38794 C CD . GLU V 4 217 ? 4.594 -0.814 41.028 1.00 114.60 ? 227 GLU d CD 1 +ATOM 38795 O OE1 . GLU V 4 217 ? 3.419 -0.518 40.709 1.00 101.85 ? 227 GLU d OE1 1 +ATOM 38796 O OE2 . GLU V 4 217 ? 5.051 -1.983 40.963 1.00 129.65 ? 227 GLU d OE2 1 +ATOM 38797 N N . GLY V 4 218 ? 5.775 3.947 38.438 1.00 55.54 ? 228 GLY d N 1 +ATOM 38798 C CA . GLY V 4 218 ? 5.371 5.259 37.976 1.00 76.11 ? 228 GLY d CA 1 +ATOM 38799 C C . GLY V 4 218 ? 4.619 5.206 36.655 1.00 74.80 ? 228 GLY d C 1 +ATOM 38800 O O . GLY V 4 218 ? 4.762 4.276 35.854 1.00 65.02 ? 228 GLY d O 1 +ATOM 38801 N N . ALA V 4 219 ? 3.777 6.220 36.436 1.00 68.93 ? 229 ALA d N 1 +ATOM 38802 C CA . ALA V 4 219 ? 3.103 6.345 35.154 1.00 66.74 ? 229 ALA d CA 1 +ATOM 38803 C C . ALA V 4 219 ? 4.069 6.743 34.046 1.00 76.11 ? 229 ALA d C 1 +ATOM 38804 O O . ALA V 4 219 ? 3.761 6.522 32.864 1.00 62.32 ? 229 ALA d O 1 +ATOM 38805 C CB . ALA V 4 219 ? 1.965 7.354 35.247 1.00 62.91 ? 229 ALA d CB 1 +ATOM 38806 N N A SER V 4 220 ? 5.193 7.370 34.400 0.40 66.19 ? 230 SER d N 1 +ATOM 38807 N N B SER V 4 220 ? 5.227 7.311 34.386 0.60 66.18 ? 230 SER d N 1 +ATOM 38808 C CA A SER V 4 220 ? 6.277 7.606 33.452 0.40 63.08 ? 230 SER d CA 1 +ATOM 38809 C CA B SER V 4 220 ? 6.287 7.552 33.410 0.60 62.97 ? 230 SER d CA 1 +ATOM 38810 C C A SER V 4 220 ? 7.137 6.352 33.378 0.40 70.66 ? 230 SER d C 1 +ATOM 38811 C C B SER V 4 220 ? 7.153 6.300 33.331 0.60 70.92 ? 230 SER d C 1 +ATOM 38812 O O A SER V 4 220 ? 7.882 6.047 34.315 0.40 68.92 ? 230 SER d O 1 +ATOM 38813 O O B SER V 4 220 ? 7.915 6.004 34.258 0.60 69.02 ? 230 SER d O 1 +ATOM 38814 C CB A SER V 4 220 ? 7.118 8.809 33.863 0.40 65.92 ? 230 SER d CB 1 +ATOM 38815 C CB B SER V 4 220 ? 7.122 8.772 33.789 0.60 65.86 ? 230 SER d CB 1 +ATOM 38816 O OG A SER V 4 220 ? 8.436 8.697 33.338 0.40 71.39 ? 230 SER d OG 1 +ATOM 38817 O OG B SER V 4 220 ? 8.467 8.616 33.365 0.60 71.50 ? 230 SER d OG 1 +ATOM 38818 N N A THR V 4 221 ? 7.053 5.632 32.257 0.40 57.52 ? 231 THR d N 1 +ATOM 38819 N N B THR V 4 221 ? 7.045 5.568 32.222 0.60 57.35 ? 231 THR d N 1 +ATOM 38820 C CA A THR V 4 221 ? 7.765 4.371 32.105 0.40 54.23 ? 231 THR d CA 1 +ATOM 38821 C CA B THR V 4 221 ? 7.754 4.303 32.092 0.60 54.04 ? 231 THR d CA 1 +ATOM 38822 C C A THR V 4 221 ? 9.254 4.549 31.836 0.40 56.10 ? 231 THR d C 1 +ATOM 38823 C C B THR V 4 221 ? 9.242 4.482 31.826 0.60 56.06 ? 231 THR d C 1 +ATOM 38824 O O A THR V 4 221 ? 9.994 3.562 31.884 0.40 56.72 ? 231 THR d O 1 +ATOM 38825 O O B THR V 4 221 ? 9.986 3.495 31.870 0.60 56.69 ? 231 THR d O 1 +ATOM 38826 C CB A THR V 4 221 ? 7.122 3.556 30.984 0.40 62.43 ? 231 THR d CB 1 +ATOM 38827 C CB B THR V 4 221 ? 7.122 3.466 30.982 0.60 62.52 ? 231 THR d CB 1 +ATOM 38828 O OG1 A THR V 4 221 ? 7.067 4.354 29.785 0.40 59.52 ? 231 THR d OG1 1 +ATOM 38829 O OG1 B THR V 4 221 ? 7.164 4.203 29.748 0.60 59.97 ? 231 THR d OG1 1 +ATOM 38830 C CG2 A THR V 4 221 ? 5.714 3.153 31.394 0.40 59.32 ? 231 THR d CG2 1 +ATOM 38831 C CG2 B THR V 4 221 ? 5.670 3.146 31.336 0.60 59.39 ? 231 THR d CG2 1 +ATOM 38832 N N A PHE V 4 222 ? 9.710 5.771 31.579 0.40 54.20 ? 232 PHE d N 1 +ATOM 38833 N N B PHE V 4 222 ? 9.688 5.714 31.571 0.60 53.89 ? 232 PHE d N 1 +ATOM 38834 C CA A PHE V 4 222 ? 11.116 5.986 31.244 0.40 60.16 ? 232 PHE d CA 1 +ATOM 38835 C CA B PHE V 4 222 ? 11.094 5.964 31.268 0.60 60.10 ? 232 PHE d CA 1 +ATOM 38836 C C A PHE V 4 222 ? 12.033 5.626 32.407 0.40 66.54 ? 232 PHE d C 1 +ATOM 38837 C C B PHE V 4 222 ? 12.004 5.649 32.450 0.60 66.68 ? 232 PHE d C 1 +ATOM 38838 O O A PHE V 4 222 ? 13.123 5.081 32.196 0.40 63.17 ? 232 PHE d O 1 +ATOM 38839 O O B PHE V 4 222 ? 13.149 5.232 32.247 0.60 63.27 ? 232 PHE d O 1 +ATOM 38840 C CB A PHE V 4 222 ? 11.341 7.441 30.823 0.40 61.89 ? 232 PHE d CB 1 +ATOM 38841 C CB B PHE V 4 222 ? 11.291 7.420 30.844 0.60 61.78 ? 232 PHE d CB 1 +ATOM 38842 C CG A PHE V 4 222 ? 10.622 7.828 29.554 0.40 66.22 ? 232 PHE d CG 1 +ATOM 38843 C CG B PHE V 4 222 ? 10.601 7.778 29.558 0.60 66.29 ? 232 PHE d CG 1 +ATOM 38844 C CD1 A PHE V 4 222 ? 11.141 7.474 28.309 0.40 64.35 ? 232 PHE d CD1 1 +ATOM 38845 C CD1 B PHE V 4 222 ? 11.142 7.393 28.335 0.60 64.36 ? 232 PHE d CD1 1 +ATOM 38846 C CD2 A PHE V 4 222 ? 9.433 8.549 29.603 0.40 60.52 ? 232 PHE d CD2 1 +ATOM 38847 C CD2 B PHE V 4 222 ? 9.418 8.505 29.568 0.60 60.45 ? 232 PHE d CD2 1 +ATOM 38848 C CE1 A PHE V 4 222 ? 10.490 7.826 27.140 0.40 60.98 ? 232 PHE d CE1 1 +ATOM 38849 C CE1 B PHE V 4 222 ? 10.515 7.722 27.145 0.60 61.00 ? 232 PHE d CE1 1 +ATOM 38850 C CE2 A PHE V 4 222 ? 8.770 8.907 28.434 0.40 68.25 ? 232 PHE d CE2 1 +ATOM 38851 C CE2 B PHE V 4 222 ? 8.783 8.840 28.380 0.60 68.47 ? 232 PHE d CE2 1 +ATOM 38852 C CZ A PHE V 4 222 ? 9.299 8.539 27.196 0.40 58.28 ? 232 PHE d CZ 1 +ATOM 38853 C CZ B PHE V 4 222 ? 9.332 8.448 27.166 0.60 58.22 ? 232 PHE d CZ 1 +ATOM 38854 N N A ARG V 4 223 ? 11.604 5.915 33.642 0.40 69.81 ? 233 ARG d N 1 +ATOM 38855 N N B ARG V 4 223 ? 11.522 5.848 33.683 0.60 69.92 ? 233 ARG d N 1 +ATOM 38856 C CA A ARG V 4 223 ? 12.447 5.681 34.814 0.40 71.82 ? 233 ARG d CA 1 +ATOM 38857 C CA B ARG V 4 223 ? 12.370 5.650 34.857 0.60 71.87 ? 233 ARG d CA 1 +ATOM 38858 C C A ARG V 4 223 ? 12.727 4.200 35.053 0.40 70.40 ? 233 ARG d C 1 +ATOM 38859 C C B ARG V 4 223 ? 12.688 4.179 35.100 0.60 70.43 ? 233 ARG d C 1 +ATOM 38860 O O A ARG V 4 223 ? 13.803 3.854 35.553 0.40 73.53 ? 233 ARG d O 1 +ATOM 38861 O O B ARG V 4 223 ? 13.772 3.863 35.597 0.60 73.72 ? 233 ARG d O 1 +ATOM 38862 C CB A ARG V 4 223 ? 11.801 6.300 36.049 0.40 71.38 ? 233 ARG d CB 1 +ATOM 38863 C CB B ARG V 4 223 ? 11.707 6.259 36.092 0.60 71.18 ? 233 ARG d CB 1 +ATOM 38864 C CG A ARG V 4 223 ? 11.577 7.797 35.936 0.40 83.09 ? 233 ARG d CG 1 +ATOM 38865 C CG B ARG V 4 223 ? 11.504 7.757 35.992 0.60 83.12 ? 233 ARG d CG 1 +ATOM 38866 C CD A ARG V 4 223 ? 11.541 8.430 37.309 0.40 96.72 ? 233 ARG d CD 1 +ATOM 38867 C CD B ARG V 4 223 ? 11.608 8.399 37.356 0.60 96.83 ? 233 ARG d CD 1 +ATOM 38868 N NE A ARG V 4 223 ? 11.866 9.849 37.243 0.40 102.76 ? 233 ARG d NE 1 +ATOM 38869 N NE B ARG V 4 223 ? 11.897 9.823 37.253 0.60 102.84 ? 233 ARG d NE 1 +ATOM 38870 C CZ A ARG V 4 223 ? 12.469 10.519 38.214 0.40 114.26 ? 233 ARG d CZ 1 +ATOM 38871 C CZ B ARG V 4 223 ? 12.478 10.533 38.208 0.60 114.45 ? 233 ARG d CZ 1 +ATOM 38872 N NH1 A ARG V 4 223 ? 12.860 9.918 39.327 0.40 118.51 ? 233 ARG d NH1 1 +ATOM 38873 N NH1 B ARG V 4 223 ? 12.868 9.973 39.343 0.60 118.72 ? 233 ARG d NH1 1 +ATOM 38874 N NH2 A ARG V 4 223 ? 12.693 11.824 38.062 0.40 113.43 ? 233 ARG d NH2 1 +ATOM 38875 N NH2 B ARG V 4 223 ? 12.680 11.835 38.019 0.60 113.51 ? 233 ARG d NH2 1 +ATOM 38876 N N A ALA V 4 224 ? 11.797 3.313 34.695 0.40 65.41 ? 234 ALA d N 1 +ATOM 38877 N N B ALA V 4 224 ? 11.775 3.271 34.742 0.60 65.30 ? 234 ALA d N 1 +ATOM 38878 C CA A ALA V 4 224 ? 11.970 1.880 34.917 0.40 62.34 ? 234 ALA d CA 1 +ATOM 38879 C CA B ALA V 4 224 ? 11.960 1.834 34.934 0.60 62.20 ? 234 ALA d CA 1 +ATOM 38880 C C A ALA V 4 224 ? 12.951 1.231 33.935 0.40 69.73 ? 234 ALA d C 1 +ATOM 38881 C C B ALA V 4 224 ? 12.944 1.204 33.947 0.60 69.84 ? 234 ALA d C 1 +ATOM 38882 O O A ALA V 4 224 ? 12.634 0.216 33.308 0.40 67.18 ? 234 ALA d O 1 +ATOM 38883 O O B ALA V 4 224 ? 12.635 0.180 33.324 0.60 67.24 ? 234 ALA d O 1 +ATOM 38884 C CB A ALA V 4 224 ? 10.612 1.175 34.832 0.40 60.18 ? 234 ALA d CB 1 +ATOM 38885 C CB B ALA V 4 224 ? 10.607 1.125 34.830 0.60 60.03 ? 234 ALA d CB 1 +ATOM 38886 N N A PHE V 4 225 ? 14.158 1.777 33.812 0.40 67.07 ? 235 PHE d N 1 +ATOM 38887 N N B PHE V 4 225 ? 14.138 1.776 33.805 0.60 67.08 ? 235 PHE d N 1 +ATOM 38888 C CA A PHE V 4 225 ? 15.180 1.191 32.952 0.40 73.02 ? 235 PHE d CA 1 +ATOM 38889 C CA B PHE V 4 225 ? 15.167 1.184 32.961 0.60 73.15 ? 235 PHE d CA 1 +ATOM 38890 C C A PHE V 4 225 ? 16.551 1.531 33.516 0.40 72.06 ? 235 PHE d C 1 +ATOM 38891 C C B PHE V 4 225 ? 16.532 1.560 33.514 0.60 72.14 ? 235 PHE d C 1 +ATOM 38892 O O A PHE V 4 225 ? 16.787 2.674 33.918 0.40 67.57 ? 235 PHE d O 1 +ATOM 38893 O O B PHE V 4 225 ? 16.749 2.713 33.895 0.60 67.43 ? 235 PHE d O 1 +ATOM 38894 C CB A PHE V 4 225 ? 15.100 1.707 31.494 0.40 68.12 ? 235 PHE d CB 1 +ATOM 38895 C CB B PHE V 4 225 ? 15.071 1.653 31.492 0.60 68.30 ? 235 PHE d CB 1 +ATOM 38896 C CG A PHE V 4 225 ? 16.261 1.255 30.630 0.40 62.29 ? 235 PHE d CG 1 +ATOM 38897 C CG B PHE V 4 225 ? 16.234 1.195 30.636 0.60 62.17 ? 235 PHE d CG 1 +ATOM 38898 C CD1 A PHE V 4 225 ? 16.261 -0.005 30.058 0.40 64.87 ? 235 PHE d CD1 1 +ATOM 38899 C CD1 B PHE V 4 225 ? 16.226 -0.067 30.051 0.60 64.84 ? 235 PHE d CD1 1 +ATOM 38900 C CD2 A PHE V 4 225 ? 17.373 2.075 30.440 0.40 61.66 ? 235 PHE d CD2 1 +ATOM 38901 C CD2 B PHE V 4 225 ? 17.350 2.005 30.454 0.60 61.41 ? 235 PHE d CD2 1 +ATOM 38902 C CE1 A PHE V 4 225 ? 17.337 -0.438 29.289 0.40 63.89 ? 235 PHE d CE1 1 +ATOM 38903 C CE1 B PHE V 4 225 ? 17.302 -0.498 29.288 0.60 63.78 ? 235 PHE d CE1 1 +ATOM 38904 C CE2 A PHE V 4 225 ? 18.446 1.652 29.664 0.40 64.62 ? 235 PHE d CE2 1 +ATOM 38905 C CE2 B PHE V 4 225 ? 18.428 1.577 29.690 0.60 64.46 ? 235 PHE d CE2 1 +ATOM 38906 C CZ A PHE V 4 225 ? 18.427 0.391 29.090 0.40 64.86 ? 235 PHE d CZ 1 +ATOM 38907 C CZ B PHE V 4 225 ? 18.403 0.325 29.109 0.60 64.74 ? 235 PHE d CZ 1 +ATOM 38908 N N A ASN V 4 226 ? 17.467 0.559 33.499 0.40 66.67 ? 236 ASN d N 1 +ATOM 38909 N N B ASN V 4 226 ? 17.461 0.599 33.518 0.60 66.55 ? 236 ASN d N 1 +ATOM 38910 C CA A ASN V 4 226 ? 18.823 0.821 33.958 0.40 74.65 ? 236 ASN d CA 1 +ATOM 38911 C CA B ASN V 4 226 ? 18.814 0.854 33.995 0.60 74.60 ? 236 ASN d CA 1 +ATOM 38912 C C A ASN V 4 226 ? 19.838 0.363 32.917 0.40 74.17 ? 236 ASN d C 1 +ATOM 38913 C C B ASN V 4 226 ? 19.822 0.390 32.951 0.60 74.06 ? 236 ASN d C 1 +ATOM 38914 O O A ASN V 4 226 ? 19.781 -0.793 32.460 0.40 74.07 ? 236 ASN d O 1 +ATOM 38915 O O B ASN V 4 226 ? 19.727 -0.750 32.464 0.60 74.00 ? 236 ASN d O 1 +ATOM 38916 C CB A ASN V 4 226 ? 19.111 0.138 35.301 0.40 85.73 ? 236 ASN d CB 1 +ATOM 38917 C CB B ASN V 4 226 ? 19.083 0.154 35.333 0.60 85.81 ? 236 ASN d CB 1 +ATOM 38918 C CG A ASN V 4 226 ? 20.449 0.563 35.878 0.40 90.31 ? 236 ASN d CG 1 +ATOM 38919 C CG B ASN V 4 226 ? 20.422 0.550 35.927 0.60 90.44 ? 236 ASN d CG 1 +ATOM 38920 O OD1 A ASN V 4 226 ? 21.506 0.090 35.450 0.40 85.87 ? 236 ASN d OD1 1 +ATOM 38921 O OD1 B ASN V 4 226 ? 21.476 0.053 35.514 0.60 85.96 ? 236 ASN d OD1 1 +ATOM 38922 N ND2 A ASN V 4 226 ? 20.412 1.487 36.836 0.40 103.58 ? 236 ASN d ND2 1 +ATOM 38923 N ND2 B ASN V 4 226 ? 20.389 1.462 36.891 0.60 103.89 ? 236 ASN d ND2 1 +ATOM 38924 N N A PRO V 4 227 ? 20.813 1.212 32.568 0.40 82.66 ? 237 PRO d N 1 +ATOM 38925 N N B PRO V 4 227 ? 20.818 1.216 32.611 0.60 82.69 ? 237 PRO d N 1 +ATOM 38926 C CA A PRO V 4 227 ? 21.727 0.891 31.455 0.40 82.88 ? 237 PRO d CA 1 +ATOM 38927 C CA B PRO V 4 227 ? 21.706 0.884 31.479 0.60 82.93 ? 237 PRO d CA 1 +ATOM 38928 C C A PRO V 4 227 ? 22.506 -0.401 31.636 0.40 87.63 ? 237 PRO d C 1 +ATOM 38929 C C B PRO V 4 227 ? 22.499 -0.399 31.665 0.60 87.80 ? 237 PRO d C 1 +ATOM 38930 O O A PRO V 4 227 ? 22.940 -0.991 30.637 0.40 83.23 ? 237 PRO d O 1 +ATOM 38931 O O B PRO V 4 227 ? 22.940 -0.988 30.669 0.60 83.25 ? 237 PRO d O 1 +ATOM 38932 C CB A PRO V 4 227 ? 22.674 2.099 31.418 0.40 82.69 ? 237 PRO d CB 1 +ATOM 38933 C CB B PRO V 4 227 ? 22.639 2.101 31.393 0.60 82.65 ? 237 PRO d CB 1 +ATOM 38934 C CG A PRO V 4 227 ? 21.941 3.195 32.122 0.40 82.86 ? 237 PRO d CG 1 +ATOM 38935 C CG B PRO V 4 227 ? 21.930 3.198 32.133 0.60 82.79 ? 237 PRO d CG 1 +ATOM 38936 C CD A PRO V 4 227 ? 21.098 2.530 33.160 0.40 87.74 ? 237 PRO d CD 1 +ATOM 38937 C CD B PRO V 4 227 ? 21.154 2.515 33.216 0.60 87.91 ? 237 PRO d CD 1 +ATOM 38938 N N A THR V 4 228 ? 22.704 -0.861 32.865 0.40 79.42 ? 238 THR d N 1 +ATOM 38939 N N B THR V 4 228 ? 22.701 -0.851 32.897 0.60 79.34 ? 238 THR d N 1 +ATOM 38940 C CA A THR V 4 228 ? 23.474 -2.068 33.100 0.40 81.36 ? 238 THR d CA 1 +ATOM 38941 C CA B THR V 4 228 ? 23.473 -2.055 33.145 0.60 81.33 ? 238 THR d CA 1 +ATOM 38942 C C A THR V 4 228 ? 22.601 -3.286 33.353 0.40 85.08 ? 238 THR d C 1 +ATOM 38943 C C B THR V 4 228 ? 22.597 -3.272 33.399 0.60 85.15 ? 238 THR d C 1 +ATOM 38944 O O A THR V 4 228 ? 23.135 -4.361 33.645 0.40 97.17 ? 238 THR d O 1 +ATOM 38945 O O B THR V 4 228 ? 23.126 -4.352 33.691 0.60 97.46 ? 238 THR d O 1 +ATOM 38946 C CB A THR V 4 228 ? 24.432 -1.860 34.277 0.40 88.33 ? 238 THR d CB 1 +ATOM 38947 C CB B THR V 4 228 ? 24.422 -1.841 34.325 0.60 88.44 ? 238 THR d CB 1 +ATOM 38948 O OG1 A THR V 4 228 ? 23.680 -1.720 35.491 0.40 86.71 ? 238 THR d OG1 1 +ATOM 38949 O OG1 B THR V 4 228 ? 23.665 -1.606 35.522 0.60 86.68 ? 238 THR d OG1 1 +ATOM 38950 C CG2 A THR V 4 228 ? 25.285 -0.613 34.051 0.40 80.26 ? 238 THR d CG2 1 +ATOM 38951 C CG2 B THR V 4 228 ? 25.333 -0.644 34.057 0.60 80.17 ? 238 THR d CG2 1 +ATOM 38952 N N A GLN V 4 229 ? 21.281 -3.154 33.255 0.40 77.72 ? 239 GLN d N 1 +ATOM 38953 N N B GLN V 4 229 ? 21.277 -3.135 33.301 0.60 77.61 ? 239 GLN d N 1 +ATOM 38954 C CA A GLN V 4 229 ? 20.421 -4.312 33.463 0.40 76.10 ? 239 GLN d CA 1 +ATOM 38955 C CA B GLN V 4 229 ? 20.415 -4.298 33.463 0.60 76.04 ? 239 GLN d CA 1 +ATOM 38956 C C A GLN V 4 229 ? 20.673 -5.358 32.382 0.40 77.83 ? 239 GLN d C 1 +ATOM 38957 C C B GLN V 4 229 ? 20.676 -5.308 32.349 0.60 77.83 ? 239 GLN d C 1 +ATOM 38958 O O A GLN V 4 229 ? 21.039 -5.037 31.248 0.40 77.44 ? 239 GLN d O 1 +ATOM 38959 O O B GLN V 4 229 ? 20.987 -4.945 31.208 0.60 77.48 ? 239 GLN d O 1 +ATOM 38960 C CB A GLN V 4 229 ? 18.950 -3.891 33.470 0.40 75.25 ? 239 GLN d CB 1 +ATOM 38961 C CB B GLN V 4 229 ? 18.946 -3.872 33.476 0.60 75.20 ? 239 GLN d CB 1 +ATOM 38962 C CG A GLN V 4 229 ? 18.370 -3.541 32.100 0.40 75.77 ? 239 GLN d CG 1 +ATOM 38963 C CG B GLN V 4 229 ? 18.370 -3.492 32.120 0.60 75.86 ? 239 GLN d CG 1 +ATOM 38964 C CD A GLN V 4 229 ? 16.987 -2.929 32.213 0.40 75.22 ? 239 GLN d CD 1 +ATOM 38965 C CD B GLN V 4 229 ? 16.971 -2.920 32.236 0.60 75.39 ? 239 GLN d CD 1 +ATOM 38966 O OE1 A GLN V 4 229 ? 16.801 -1.892 32.862 0.40 71.61 ? 239 GLN d OE1 1 +ATOM 38967 O OE1 B GLN V 4 229 ? 16.739 -1.952 32.971 0.60 71.46 ? 239 GLN d OE1 1 +ATOM 38968 N NE2 A GLN V 4 229 ? 16.000 -3.584 31.606 0.40 66.14 ? 239 GLN d NE2 1 +ATOM 38969 N NE2 B GLN V 4 229 ? 16.026 -3.522 31.521 0.60 66.17 ? 239 GLN d NE2 1 +ATOM 38970 N N A ALA V 4 230 ? 20.490 -6.628 32.745 0.40 80.78 ? 240 ALA d N 1 +ATOM 38971 N N B ALA V 4 230 ? 20.566 -6.592 32.694 0.60 80.89 ? 240 ALA d N 1 +ATOM 38972 C CA A ALA V 4 230 ? 20.762 -7.701 31.795 0.40 70.29 ? 240 ALA d CA 1 +ATOM 38973 C CA B ALA V 4 230 ? 20.801 -7.669 31.738 0.60 70.01 ? 240 ALA d CA 1 +ATOM 38974 C C A ALA V 4 230 ? 19.557 -8.005 30.911 0.40 68.96 ? 240 ALA d C 1 +ATOM 38975 C C B ALA V 4 230 ? 19.575 -8.022 30.910 0.60 68.85 ? 240 ALA d C 1 +ATOM 38976 O O A ALA V 4 230 ? 19.723 -8.467 29.777 0.40 73.08 ? 240 ALA d O 1 +ATOM 38977 O O B ALA V 4 230 ? 19.717 -8.495 29.778 0.60 73.17 ? 240 ALA d O 1 +ATOM 38978 C CB A ALA V 4 230 ? 21.190 -8.972 32.537 0.40 70.95 ? 240 ALA d CB 1 +ATOM 38979 C CB B ALA V 4 230 ? 21.279 -8.931 32.467 0.60 70.80 ? 240 ALA d CB 1 +ATOM 38980 N N A GLU V 4 231 ? 18.350 -7.765 31.410 0.40 70.36 ? 241 GLU d N 1 +ATOM 38981 N N B GLU V 4 231 ? 18.375 -7.812 31.437 0.60 70.16 ? 241 GLU d N 1 +ATOM 38982 C CA A GLU V 4 231 ? 17.131 -8.191 30.744 0.40 73.91 ? 241 GLU d CA 1 +ATOM 38983 C CA B GLU V 4 231 ? 17.161 -8.259 30.773 0.60 73.74 ? 241 GLU d CA 1 +ATOM 38984 C C A GLU V 4 231 ? 16.675 -7.173 29.702 0.40 73.36 ? 241 GLU d C 1 +ATOM 38985 C C B GLU V 4 231 ? 16.694 -7.237 29.738 0.60 73.58 ? 241 GLU d C 1 +ATOM 38986 O O A GLU V 4 231 ? 16.823 -5.964 29.887 0.40 68.78 ? 241 GLU d O 1 +ATOM 38987 O O B GLU V 4 231 ? 16.866 -6.026 29.904 0.60 68.76 ? 241 GLU d O 1 +ATOM 38988 C CB A GLU V 4 231 ? 16.027 -8.413 31.779 0.40 79.19 ? 241 GLU d CB 1 +ATOM 38989 C CB B GLU V 4 231 ? 16.050 -8.501 31.795 0.60 79.27 ? 241 GLU d CB 1 +ATOM 38990 C CG A GLU V 4 231 ? 16.345 -9.498 32.805 0.40 89.15 ? 241 GLU d CG 1 +ATOM 38991 C CG B GLU V 4 231 ? 16.362 -9.575 32.830 0.60 89.24 ? 241 GLU d CG 1 +ATOM 38992 C CD A GLU V 4 231 ? 17.233 -9.008 33.953 0.40 99.69 ? 241 GLU d CD 1 +ATOM 38993 C CD B GLU V 4 231 ? 17.257 -9.084 33.966 0.60 99.91 ? 241 GLU d CD 1 +ATOM 38994 O OE1 A GLU V 4 231 ? 17.573 -7.802 34.001 0.40 88.32 ? 241 GLU d OE1 1 +ATOM 38995 O OE1 B GLU V 4 231 ? 17.550 -7.865 34.039 0.60 88.39 ? 241 GLU d OE1 1 +ATOM 38996 O OE2 A GLU V 4 231 ? 17.589 -9.842 34.814 0.40 119.66 ? 241 GLU d OE2 1 +ATOM 38997 O OE2 B GLU V 4 231 ? 17.666 -9.927 34.795 0.60 120.20 ? 241 GLU d OE2 1 +ATOM 38998 N N A GLU V 4 232 ? 16.126 -7.678 28.599 0.40 68.47 ? 242 GLU d N 1 +ATOM 38999 N N B GLU V 4 232 ? 16.097 -7.746 28.661 0.60 68.51 ? 242 GLU d N 1 +ATOM 39000 C CA A GLU V 4 232 ? 15.460 -6.822 27.630 0.40 67.39 ? 242 GLU d CA 1 +ATOM 39001 C CA B GLU V 4 232 ? 15.459 -6.877 27.684 0.60 67.40 ? 242 GLU d CA 1 +ATOM 39002 C C A GLU V 4 232 ? 14.344 -6.039 28.316 0.40 62.65 ? 242 GLU d C 1 +ATOM 39003 C C B GLU V 4 232 ? 14.331 -6.092 28.349 0.60 62.71 ? 242 GLU d C 1 +ATOM 39004 O O A GLU V 4 232 ? 13.632 -6.568 29.179 0.40 61.29 ? 242 GLU d O 1 +ATOM 39005 O O B GLU V 4 232 ? 13.638 -6.598 29.239 0.60 61.26 ? 242 GLU d O 1 +ATOM 39006 C CB A GLU V 4 232 ? 14.900 -7.668 26.478 0.40 64.34 ? 242 GLU d CB 1 +ATOM 39007 C CB B GLU V 4 232 ? 14.932 -7.706 26.506 0.60 64.22 ? 242 GLU d CB 1 +ATOM 39008 C CG A GLU V 4 232 ? 13.842 -8.693 26.908 0.40 65.27 ? 242 GLU d CG 1 +ATOM 39009 C CG B GLU V 4 232 ? 13.807 -8.662 26.870 0.60 65.21 ? 242 GLU d CG 1 +ATOM 39010 C CD A GLU V 4 232 ? 13.291 -9.552 25.752 0.40 81.48 ? 242 GLU d CD 1 +ATOM 39011 C CD B GLU V 4 232 ? 13.309 -9.518 25.693 0.60 81.98 ? 242 GLU d CD 1 +ATOM 39012 O OE1 A GLU V 4 232 ? 13.772 -9.421 24.592 0.40 72.12 ? 242 GLU d OE1 1 +ATOM 39013 O OE1 B GLU V 4 232 ? 13.827 -9.366 24.552 0.60 72.22 ? 242 GLU d OE1 1 +ATOM 39014 O OE2 A GLU V 4 232 ? 12.375 -10.375 26.015 0.40 69.18 ? 242 GLU d OE2 1 +ATOM 39015 O OE2 B GLU V 4 232 ? 12.393 -10.351 25.920 0.60 69.31 ? 242 GLU d OE2 1 +ATOM 39016 N N A THR V 4 233 ? 14.208 -4.762 27.943 0.40 57.66 ? 243 THR d N 1 +ATOM 39017 N N B THR V 4 233 ? 14.168 -4.835 27.931 0.60 57.61 ? 243 THR d N 1 +ATOM 39018 C CA A THR V 4 233 ? 13.210 -3.890 28.552 0.40 53.30 ? 243 THR d CA 1 +ATOM 39019 C CA B THR V 4 233 ? 13.185 -3.944 28.536 0.60 53.15 ? 243 THR d CA 1 +ATOM 39020 C C A THR V 4 233 ? 11.836 -3.985 27.896 0.40 53.57 ? 243 THR d C 1 +ATOM 39021 C C B THR V 4 233 ? 11.804 -4.054 27.900 0.60 53.51 ? 243 THR d C 1 +ATOM 39022 O O A THR V 4 233 ? 10.877 -3.416 28.425 0.40 53.81 ? 243 THR d O 1 +ATOM 39023 O O B THR V 4 233 ? 10.834 -3.521 28.452 0.60 53.73 ? 243 THR d O 1 +ATOM 39024 C CB A THR V 4 233 ? 13.672 -2.436 28.531 0.40 54.65 ? 243 THR d CB 1 +ATOM 39025 C CB B THR V 4 233 ? 13.671 -2.491 28.468 0.60 54.47 ? 243 THR d CB 1 +ATOM 39026 O OG1 A THR V 4 233 ? 12.833 -1.673 29.408 0.40 59.50 ? 243 THR d OG1 1 +ATOM 39027 O OG1 B THR V 4 233 ? 12.972 -1.712 29.446 0.60 59.64 ? 243 THR d OG1 1 +ATOM 39028 C CG2 A THR V 4 233 ? 13.572 -1.843 27.120 0.40 58.36 ? 243 THR d CG2 1 +ATOM 39029 C CG2 B THR V 4 233 ? 13.417 -1.894 27.088 0.60 58.19 ? 243 THR d CG2 1 +ATOM 39030 N N A TYR V 4 234 ? 11.706 -4.698 26.778 0.40 58.95 ? 244 TYR d N 1 +ATOM 39031 N N B TYR V 4 234 ? 11.688 -4.741 26.767 0.60 59.10 ? 244 TYR d N 1 +ATOM 39032 C CA A TYR V 4 234 ? 10.410 -4.908 26.144 0.40 50.40 ? 244 TYR d CA 1 +ATOM 39033 C CA B TYR V 4 234 ? 10.406 -4.947 26.113 0.60 50.23 ? 244 TYR d CA 1 +ATOM 39034 C C A TYR V 4 234 ? 10.327 -6.348 25.683 0.40 55.91 ? 244 TYR d C 1 +ATOM 39035 C C B TYR V 4 234 ? 10.332 -6.392 25.645 0.60 56.08 ? 244 TYR d C 1 +ATOM 39036 O O A TYR V 4 234 ? 11.349 -7.029 25.542 0.40 52.18 ? 244 TYR d O 1 +ATOM 39037 O O B TYR V 4 234 ? 11.355 -7.070 25.495 0.60 52.15 ? 244 TYR d O 1 +ATOM 39038 C CB A TYR V 4 234 ? 10.193 -3.963 24.961 0.40 51.51 ? 244 TYR d CB 1 +ATOM 39039 C CB B TYR V 4 234 ? 10.213 -3.990 24.931 0.60 51.51 ? 244 TYR d CB 1 +ATOM 39040 C CG A TYR V 4 234 ? 11.115 -4.249 23.787 0.40 54.22 ? 244 TYR d CG 1 +ATOM 39041 C CG B TYR V 4 234 ? 11.134 -4.280 23.757 0.60 54.21 ? 244 TYR d CG 1 +ATOM 39042 C CD1 A TYR V 4 234 ? 12.414 -3.751 23.766 0.40 55.74 ? 244 TYR d CD1 1 +ATOM 39043 C CD1 B TYR V 4 234 ? 12.427 -3.765 23.722 0.60 55.75 ? 244 TYR d CD1 1 +ATOM 39044 C CD2 A TYR V 4 234 ? 10.682 -5.011 22.700 0.40 51.42 ? 244 TYR d CD2 1 +ATOM 39045 C CD2 B TYR V 4 234 ? 10.706 -5.062 22.682 0.60 51.36 ? 244 TYR d CD2 1 +ATOM 39046 C CE1 A TYR V 4 234 ? 13.251 -4.008 22.709 0.40 56.90 ? 244 TYR d CE1 1 +ATOM 39047 C CE1 B TYR V 4 234 ? 13.267 -4.025 22.661 0.60 56.90 ? 244 TYR d CE1 1 +ATOM 39048 C CE2 A TYR V 4 234 ? 11.513 -5.269 21.632 0.40 52.29 ? 244 TYR d CE2 1 +ATOM 39049 C CE2 B TYR V 4 234 ? 11.542 -5.325 21.612 0.60 52.12 ? 244 TYR d CE2 1 +ATOM 39050 C CZ A TYR V 4 234 ? 12.795 -4.760 21.638 0.40 62.16 ? 244 TYR d CZ 1 +ATOM 39051 C CZ B TYR V 4 234 ? 12.820 -4.799 21.606 0.60 62.37 ? 244 TYR d CZ 1 +ATOM 39052 O OH A TYR V 4 234 ? 13.635 -5.000 20.578 0.40 57.84 ? 244 TYR d OH 1 +ATOM 39053 O OH B TYR V 4 234 ? 13.665 -5.046 20.549 0.60 57.85 ? 244 TYR d OH 1 +ATOM 39054 N N A SER V 4 235 ? 9.096 -6.808 25.433 0.40 52.44 ? 245 SER d N 1 +ATOM 39055 N N B SER V 4 235 ? 9.104 -6.854 25.392 0.60 52.55 ? 245 SER d N 1 +ATOM 39056 C CA A SER V 4 235 ? 8.848 -8.209 25.096 0.40 45.59 ? 245 SER d CA 1 +ATOM 39057 C CA B SER V 4 235 ? 8.849 -8.262 25.085 0.60 45.23 ? 245 SER d CA 1 +ATOM 39058 C C A SER V 4 235 ? 8.948 -8.441 23.588 0.40 59.04 ? 245 SER d C 1 +ATOM 39059 C C B SER V 4 235 ? 8.928 -8.499 23.577 0.60 59.29 ? 245 SER d C 1 +ATOM 39060 O O A SER V 4 235 ? 8.038 -8.089 22.826 0.40 54.69 ? 245 SER d O 1 +ATOM 39061 O O B SER V 4 235 ? 8.003 -8.173 22.827 0.60 54.71 ? 245 SER d O 1 +ATOM 39062 C CB A SER V 4 235 ? 7.484 -8.666 25.595 0.40 49.58 ? 245 SER d CB 1 +ATOM 39063 C CB B SER V 4 235 ? 7.494 -8.692 25.621 0.60 49.47 ? 245 SER d CB 1 +ATOM 39064 O OG A SER V 4 235 ? 7.259 -9.996 25.143 0.40 55.94 ? 245 SER d OG 1 +ATOM 39065 O OG B SER V 4 235 ? 7.182 -9.971 25.112 0.60 56.10 ? 245 SER d OG 1 +ATOM 39066 N N A MET V 4 236 ? 10.027 -9.093 23.164 0.40 52.51 ? 246 MET d N 1 +ATOM 39067 N N B MET V 4 236 ? 10.033 -9.097 23.139 0.60 52.45 ? 246 MET d N 1 +ATOM 39068 C CA A MET V 4 236 ? 10.134 -9.482 21.766 0.40 50.89 ? 246 MET d CA 1 +ATOM 39069 C CA B MET V 4 236 ? 10.137 -9.535 21.755 0.60 50.76 ? 246 MET d CA 1 +ATOM 39070 C C A MET V 4 236 ? 9.056 -10.500 21.395 0.40 55.98 ? 246 MET d C 1 +ATOM 39071 C C B MET V 4 236 ? 9.041 -10.539 21.405 0.60 56.01 ? 246 MET d C 1 +ATOM 39072 O O A MET V 4 236 ? 8.507 -10.455 20.291 0.40 58.06 ? 246 MET d O 1 +ATOM 39073 O O B MET V 4 236 ? 8.492 -10.502 20.300 0.60 58.19 ? 246 MET d O 1 +ATOM 39074 C CB A MET V 4 236 ? 11.531 -10.031 21.506 0.40 52.16 ? 246 MET d CB 1 +ATOM 39075 C CB B MET V 4 236 ? 11.519 -10.135 21.520 0.60 52.04 ? 246 MET d CB 1 +ATOM 39076 C CG A MET V 4 236 ? 11.806 -10.330 20.076 0.40 70.51 ? 246 MET d CG 1 +ATOM 39077 C CG B MET V 4 236 ? 11.840 -10.394 20.093 0.60 70.77 ? 246 MET d CG 1 +ATOM 39078 S SD A MET V 4 236 ? 12.060 -8.804 19.150 0.40 62.60 ? 246 MET d SD 1 +ATOM 39079 S SD B MET V 4 236 ? 12.150 -8.880 19.170 0.60 63.13 ? 246 MET d SD 1 +ATOM 39080 C CE A MET V 4 236 ? 12.438 -9.566 17.566 0.40 58.21 ? 246 MET d CE 1 +ATOM 39081 C CE B MET V 4 236 ? 12.518 -9.652 17.590 0.60 58.15 ? 246 MET d CE 1 +ATOM 39082 N N A VAL V 4 237 ? 8.710 -11.398 22.325 0.40 58.06 ? 247 VAL d N 1 +ATOM 39083 N N B VAL V 4 237 ? 8.678 -11.417 22.345 0.60 58.17 ? 247 VAL d N 1 +ATOM 39084 C CA A VAL V 4 237 ? 7.704 -12.427 22.056 0.40 61.08 ? 247 VAL d CA 1 +ATOM 39085 C CA B VAL V 4 237 ? 7.697 -12.454 22.033 0.60 61.22 ? 247 VAL d CA 1 +ATOM 39086 C C A VAL V 4 237 ? 6.339 -11.795 21.802 0.40 55.29 ? 247 VAL d C 1 +ATOM 39087 C C B VAL V 4 237 ? 6.320 -11.843 21.791 0.60 55.31 ? 247 VAL d C 1 +ATOM 39088 O O A VAL V 4 237 ? 5.633 -12.157 20.852 0.40 54.66 ? 247 VAL d O 1 +ATOM 39089 O O B VAL V 4 237 ? 5.619 -12.219 20.839 0.60 54.65 ? 247 VAL d O 1 +ATOM 39090 C CB A VAL V 4 237 ? 7.639 -13.442 23.219 0.40 62.65 ? 247 VAL d CB 1 +ATOM 39091 C CB B VAL V 4 237 ? 7.662 -13.526 23.145 0.60 62.91 ? 247 VAL d CB 1 +ATOM 39092 C CG1 A VAL V 4 237 ? 6.437 -14.387 23.040 0.40 48.91 ? 247 VAL d CG1 1 +ATOM 39093 C CG1 B VAL V 4 237 ? 6.460 -14.442 22.963 0.60 48.66 ? 247 VAL d CG1 1 +ATOM 39094 C CG2 A VAL V 4 237 ? 8.934 -14.241 23.310 0.40 61.72 ? 247 VAL d CG2 1 +ATOM 39095 C CG2 B VAL V 4 237 ? 8.953 -14.341 23.134 0.60 61.38 ? 247 VAL d CG2 1 +ATOM 39096 N N A THR V 4 238 ? 5.935 -10.847 22.653 0.40 49.64 ? 248 THR d N 1 +ATOM 39097 N N B THR V 4 238 ? 5.906 -10.898 22.641 0.60 49.53 ? 248 THR d N 1 +ATOM 39098 C CA A THR V 4 238 ? 4.640 -10.211 22.437 0.40 53.85 ? 248 THR d CA 1 +ATOM 39099 C CA B THR V 4 238 ? 4.605 -10.264 22.442 0.60 53.80 ? 248 THR d CA 1 +ATOM 39100 C C A THR V 4 238 ? 4.666 -9.326 21.187 0.40 54.11 ? 248 THR d C 1 +ATOM 39101 C C B THR V 4 238 ? 4.612 -9.367 21.201 0.60 54.33 ? 248 THR d C 1 +ATOM 39102 O O A THR V 4 238 ? 3.686 -9.282 20.430 0.40 50.67 ? 248 THR d O 1 +ATOM 39103 O O B THR V 4 238 ? 3.622 -9.308 20.462 0.60 50.80 ? 248 THR d O 1 +ATOM 39104 C CB A THR V 4 238 ? 4.232 -9.428 23.681 0.40 47.86 ? 248 THR d CB 1 +ATOM 39105 C CB B THR V 4 238 ? 4.205 -9.478 23.698 0.60 47.74 ? 248 THR d CB 1 +ATOM 39106 O OG1 A THR V 4 238 ? 3.840 -10.348 24.694 0.40 52.82 ? 248 THR d OG1 1 +ATOM 39107 O OG1 B THR V 4 238 ? 3.973 -10.395 24.769 0.60 52.93 ? 248 THR d OG1 1 +ATOM 39108 C CG2 A THR V 4 238 ? 3.064 -8.501 23.393 0.40 51.40 ? 248 THR d CG2 1 +ATOM 39109 C CG2 B THR V 4 238 ? 2.931 -8.682 23.467 0.60 51.07 ? 248 THR d CG2 1 +ATOM 39110 N N A ALA V 4 239 ? 5.790 -8.647 20.935 0.40 52.24 ? 249 ALA d N 1 +ATOM 39111 N N B ALA V 4 239 ? 5.725 -8.674 20.949 0.60 52.19 ? 249 ALA d N 1 +ATOM 39112 C CA A ALA V 4 239 ? 5.911 -7.835 19.728 0.40 51.99 ? 249 ALA d CA 1 +ATOM 39113 C CA B ALA V 4 239 ? 5.830 -7.856 19.746 0.60 51.97 ? 249 ALA d CA 1 +ATOM 39114 C C A ALA V 4 239 ? 5.762 -8.696 18.482 0.40 58.18 ? 249 ALA d C 1 +ATOM 39115 C C B ALA V 4 239 ? 5.696 -8.712 18.493 0.60 58.41 ? 249 ALA d C 1 +ATOM 39116 O O A ALA V 4 239 ? 5.072 -8.314 17.530 0.40 56.36 ? 249 ALA d O 1 +ATOM 39117 O O B ALA V 4 239 ? 4.999 -8.337 17.539 0.60 56.54 ? 249 ALA d O 1 +ATOM 39118 C CB A ALA V 4 239 ? 7.255 -7.110 19.724 0.40 49.75 ? 249 ALA d CB 1 +ATOM 39119 C CB B ALA V 4 239 ? 7.159 -7.103 19.743 0.60 49.75 ? 249 ALA d CB 1 +ATOM 39120 N N A ASN V 4 240 ? 6.393 -9.873 18.486 0.40 51.44 ? 250 ASN d N 1 +ATOM 39121 N N B ASN V 4 240 ? 6.347 -9.877 18.488 0.60 51.40 ? 250 ASN d N 1 +ATOM 39122 C CA A ASN V 4 240 ? 6.328 -10.772 17.340 0.40 50.70 ? 250 ASN d CA 1 +ATOM 39123 C CA B ASN V 4 240 ? 6.292 -10.765 17.331 0.60 50.69 ? 250 ASN d CA 1 +ATOM 39124 C C A ASN V 4 240 ? 4.914 -11.292 17.108 0.40 53.78 ? 250 ASN d C 1 +ATOM 39125 C C B ASN V 4 240 ? 4.874 -11.260 17.071 0.60 53.87 ? 250 ASN d C 1 +ATOM 39126 O O A ASN V 4 240 ? 4.477 -11.423 15.959 0.40 49.52 ? 250 ASN d O 1 +ATOM 39127 O O B ASN V 4 240 ? 4.431 -11.303 15.920 0.60 49.57 ? 250 ASN d O 1 +ATOM 39128 C CB A ASN V 4 240 ? 7.292 -11.942 17.542 0.40 47.59 ? 250 ASN d CB 1 +ATOM 39129 C CB B ASN V 4 240 ? 7.243 -11.948 17.531 0.60 47.50 ? 250 ASN d CB 1 +ATOM 39130 C CG A ASN V 4 240 ? 7.113 -13.042 16.491 0.40 56.80 ? 250 ASN d CG 1 +ATOM 39131 C CG B ASN V 4 240 ? 7.021 -13.072 16.499 0.60 56.93 ? 250 ASN d CG 1 +ATOM 39132 O OD1 A ASN V 4 240 ? 6.216 -13.882 16.598 0.40 52.90 ? 250 ASN d OD1 1 +ATOM 39133 O OD1 B ASN V 4 240 ? 6.132 -13.908 16.661 0.60 53.11 ? 250 ASN d OD1 1 +ATOM 39134 N ND2 A ASN V 4 240 ? 7.974 -13.043 15.478 0.40 49.84 ? 250 ASN d ND2 1 +ATOM 39135 N ND2 B ASN V 4 240 ? 7.844 -13.097 15.448 0.60 49.68 ? 250 ASN d ND2 1 +ATOM 39136 N N A ARG V 4 241 ? 4.194 -11.638 18.176 0.40 53.96 ? 251 ARG d N 1 +ATOM 39137 N N B ARG V 4 241 ? 4.151 -11.661 18.121 0.60 54.06 ? 251 ARG d N 1 +ATOM 39138 C CA A ARG V 4 241 ? 2.836 -12.128 17.977 0.40 52.32 ? 251 ARG d CA 1 +ATOM 39139 C CA B ARG V 4 241 ? 2.784 -12.123 17.906 0.60 52.26 ? 251 ARG d CA 1 +ATOM 39140 C C A ARG V 4 241 ? 1.939 -11.036 17.415 0.40 45.22 ? 251 ARG d C 1 +ATOM 39141 C C B ARG V 4 241 ? 1.905 -11.008 17.357 0.60 44.84 ? 251 ARG d C 1 +ATOM 39142 O O A ARG V 4 241 ? 1.148 -11.282 16.505 0.40 50.84 ? 251 ARG d O 1 +ATOM 39143 O O B ARG V 4 241 ? 1.096 -11.238 16.454 0.60 51.07 ? 251 ARG d O 1 +ATOM 39144 C CB A ARG V 4 241 ? 2.233 -12.672 19.272 0.40 52.62 ? 251 ARG d CB 1 +ATOM 39145 C CB B ARG V 4 241 ? 2.172 -12.673 19.196 0.60 52.67 ? 251 ARG d CB 1 +ATOM 39146 C CG A ARG V 4 241 ? 0.995 -13.488 18.934 0.40 56.23 ? 251 ARG d CG 1 +ATOM 39147 C CG B ARG V 4 241 ? 0.889 -13.433 18.890 0.60 56.32 ? 251 ARG d CG 1 +ATOM 39148 C CD A ARG V 4 241 ? 0.178 -13.854 20.112 0.40 67.71 ? 251 ARG d CD 1 +ATOM 39149 C CD B ARG V 4 241 ? 0.238 -14.001 20.107 0.60 68.32 ? 251 ARG d CD 1 +ATOM 39150 N NE A ARG V 4 241 ? -0.914 -14.764 19.778 0.40 62.35 ? 251 ARG d NE 1 +ATOM 39151 N NE B ARG V 4 241 ? -0.882 -14.881 19.789 0.60 62.39 ? 251 ARG d NE 1 +ATOM 39152 C CZ A ARG V 4 241 ? -0.874 -16.083 19.906 0.40 59.62 ? 251 ARG d CZ 1 +ATOM 39153 C CZ B ARG V 4 241 ? -0.842 -16.204 19.857 0.60 59.80 ? 251 ARG d CZ 1 +ATOM 39154 N NH1 A ARG V 4 241 ? 0.244 -16.720 20.229 0.40 58.25 ? 251 ARG d NH1 1 +ATOM 39155 N NH1 B ARG V 4 241 ? 0.280 -16.852 20.141 0.60 57.91 ? 251 ARG d NH1 1 +ATOM 39156 N NH2 A ARG V 4 241 ? -1.989 -16.781 19.719 0.40 60.19 ? 251 ARG d NH2 1 +ATOM 39157 N NH2 B ARG V 4 241 ? -1.960 -16.895 19.657 0.60 60.49 ? 251 ARG d NH2 1 +ATOM 39158 N N A PHE V 4 242 ? 2.026 -9.831 17.980 0.40 48.48 ? 252 PHE d N 1 +ATOM 39159 N N B PHE V 4 242 ? 2.024 -9.804 17.920 0.60 48.44 ? 252 PHE d N 1 +ATOM 39160 C CA A PHE V 4 242 ? 1.202 -8.718 17.523 0.40 51.45 ? 252 PHE d CA 1 +ATOM 39161 C CA B PHE V 4 242 ? 1.206 -8.680 17.472 0.60 51.59 ? 252 PHE d CA 1 +ATOM 39162 C C A PHE V 4 242 ? 1.361 -8.498 16.019 0.40 51.93 ? 252 PHE d C 1 +ATOM 39163 C C B PHE V 4 242 ? 1.360 -8.457 15.973 0.60 52.06 ? 252 PHE d C 1 +ATOM 39164 O O A PHE V 4 242 ? 0.372 -8.474 15.273 0.40 49.02 ? 252 PHE d O 1 +ATOM 39165 O O B PHE V 4 242 ? 0.369 -8.388 15.238 0.60 49.17 ? 252 PHE d O 1 +ATOM 39166 C CB A PHE V 4 242 ? 1.578 -7.459 18.301 0.40 41.23 ? 252 PHE d CB 1 +ATOM 39167 C CB B PHE V 4 242 ? 1.585 -7.419 18.249 0.60 41.02 ? 252 PHE d CB 1 +ATOM 39168 C CG A PHE V 4 242 ? 0.887 -6.194 17.822 0.40 47.39 ? 252 PHE d CG 1 +ATOM 39169 C CG B PHE V 4 242 ? 0.912 -6.157 17.747 0.60 47.46 ? 252 PHE d CG 1 +ATOM 39170 C CD1 A PHE V 4 242 ? -0.349 -5.817 18.341 0.40 45.48 ? 252 PHE d CD1 1 +ATOM 39171 C CD1 B PHE V 4 242 ? -0.342 -5.787 18.217 0.60 45.26 ? 252 PHE d CD1 1 +ATOM 39172 C CD2 A PHE V 4 242 ? 1.498 -5.362 16.879 0.40 48.25 ? 252 PHE d CD2 1 +ATOM 39173 C CD2 B PHE V 4 242 ? 1.549 -5.332 16.813 0.60 48.19 ? 252 PHE d CD2 1 +ATOM 39174 C CE1 A PHE V 4 242 ? -0.976 -4.637 17.920 0.40 48.44 ? 252 PHE d CE1 1 +ATOM 39175 C CE1 B PHE V 4 242 ? -0.955 -4.623 17.776 0.60 48.89 ? 252 PHE d CE1 1 +ATOM 39176 C CE2 A PHE V 4 242 ? 0.881 -4.198 16.441 0.40 46.69 ? 252 PHE d CE2 1 +ATOM 39177 C CE2 B PHE V 4 242 ? 0.942 -4.167 16.349 0.60 46.44 ? 252 PHE d CE2 1 +ATOM 39178 C CZ A PHE V 4 242 ? -0.353 -3.824 16.969 0.40 52.83 ? 252 PHE d CZ 1 +ATOM 39179 C CZ B PHE V 4 242 ? -0.309 -3.805 16.834 0.60 52.86 ? 252 PHE d CZ 1 +ATOM 39180 N N A TRP V 4 243 ? 2.611 -8.347 15.560 0.40 46.31 ? 253 TRP d N 1 +ATOM 39181 N N B TRP V 4 243 ? 2.607 -8.370 15.501 0.60 46.15 ? 253 TRP d N 1 +ATOM 39182 C CA A TRP V 4 243 ? 2.855 -8.043 14.156 0.40 46.43 ? 253 TRP d CA 1 +ATOM 39183 C CA B TRP V 4 243 ? 2.846 -8.070 14.097 0.60 46.37 ? 253 TRP d CA 1 +ATOM 39184 C C A TRP V 4 243 ? 2.520 -9.224 13.259 0.40 57.04 ? 253 TRP d C 1 +ATOM 39185 C C B TRP V 4 243 ? 2.528 -9.259 13.199 0.60 57.40 ? 253 TRP d C 1 +ATOM 39186 O O A TRP V 4 243 ? 2.024 -9.028 12.141 0.40 48.83 ? 253 TRP d O 1 +ATOM 39187 O O B TRP V 4 243 ? 2.079 -9.066 12.060 0.60 48.82 ? 253 TRP d O 1 +ATOM 39188 C CB A TRP V 4 243 ? 4.304 -7.579 13.964 0.40 46.88 ? 253 TRP d CB 1 +ATOM 39189 C CB B TRP V 4 243 ? 4.288 -7.587 13.906 0.60 46.84 ? 253 TRP d CB 1 +ATOM 39190 C CG A TRP V 4 243 ? 4.462 -6.148 14.429 0.40 46.64 ? 253 TRP d CG 1 +ATOM 39191 C CG B TRP V 4 243 ? 4.462 -6.161 14.378 0.60 46.54 ? 253 TRP d CG 1 +ATOM 39192 C CD1 A TRP V 4 243 ? 5.218 -5.694 15.478 0.40 49.91 ? 253 TRP d CD1 1 +ATOM 39193 C CD1 B TRP V 4 243 ? 5.264 -5.719 15.395 0.60 49.97 ? 253 TRP d CD1 1 +ATOM 39194 C CD2 A TRP V 4 243 ? 3.786 -4.997 13.897 0.40 51.97 ? 253 TRP d CD2 1 +ATOM 39195 C CD2 B TRP V 4 243 ? 3.780 -5.003 13.877 0.60 52.07 ? 253 TRP d CD2 1 +ATOM 39196 N NE1 A TRP V 4 243 ? 5.077 -4.334 15.607 0.40 50.43 ? 253 TRP d NE1 1 +ATOM 39197 N NE1 B TRP V 4 243 ? 5.140 -4.356 15.542 0.60 50.44 ? 253 TRP d NE1 1 +ATOM 39198 C CE2 A TRP V 4 243 ? 4.203 -3.881 14.652 0.40 51.63 ? 253 TRP d CE2 1 +ATOM 39199 C CE2 B TRP V 4 243 ? 4.230 -3.893 14.626 0.60 51.71 ? 253 TRP d CE2 1 +ATOM 39200 C CE3 A TRP V 4 243 ? 2.883 -4.802 12.843 0.40 48.83 ? 253 TRP d CE3 1 +ATOM 39201 C CE3 B TRP V 4 243 ? 2.838 -4.794 12.860 0.60 48.91 ? 253 TRP d CE3 1 +ATOM 39202 C CZ2 A TRP V 4 243 ? 3.739 -2.584 14.394 0.40 49.35 ? 253 TRP d CZ2 1 +ATOM 39203 C CZ2 B TRP V 4 243 ? 3.772 -2.593 14.389 0.60 49.37 ? 253 TRP d CZ2 1 +ATOM 39204 C CZ3 A TRP V 4 243 ? 2.425 -3.514 12.589 0.40 46.74 ? 253 TRP d CZ3 1 +ATOM 39205 C CZ3 B TRP V 4 243 ? 2.381 -3.499 12.632 0.60 46.69 ? 253 TRP d CZ3 1 +ATOM 39206 C CH2 A TRP V 4 243 ? 2.854 -2.424 13.363 0.40 47.70 ? 253 TRP d CH2 1 +ATOM 39207 C CH2 B TRP V 4 243 ? 2.851 -2.421 13.389 0.60 47.71 ? 253 TRP d CH2 1 +ATOM 39208 N N A SER V 4 244 ? 2.743 -10.454 13.738 0.40 54.33 ? 254 SER d N 1 +ATOM 39209 N N B SER V 4 244 ? 2.724 -10.490 13.688 0.60 54.48 ? 254 SER d N 1 +ATOM 39210 C CA A SER V 4 244 ? 2.375 -11.622 12.947 0.40 51.35 ? 254 SER d CA 1 +ATOM 39211 C CA B SER V 4 244 ? 2.360 -11.652 12.883 0.60 51.32 ? 254 SER d CA 1 +ATOM 39212 C C A SER V 4 244 ? 0.881 -11.651 12.666 0.40 51.36 ? 254 SER d C 1 +ATOM 39213 C C B SER V 4 244 ? 0.860 -11.704 12.625 0.60 51.33 ? 254 SER d C 1 +ATOM 39214 O O A SER V 4 244 ? 0.458 -12.038 11.573 0.40 52.41 ? 254 SER d O 1 +ATOM 39215 O O B SER V 4 244 ? 0.432 -12.150 11.558 0.60 52.60 ? 254 SER d O 1 +ATOM 39216 C CB A SER V 4 244 ? 2.801 -12.905 13.667 0.40 53.42 ? 254 SER d CB 1 +ATOM 39217 C CB B SER V 4 244 ? 2.817 -12.940 13.571 0.60 53.39 ? 254 SER d CB 1 +ATOM 39218 O OG A SER V 4 244 ? 4.200 -12.947 13.841 0.40 53.74 ? 254 SER d OG 1 +ATOM 39219 O OG B SER V 4 244 ? 4.191 -12.883 13.902 0.60 53.90 ? 254 SER d OG 1 +ATOM 39220 N N A GLN V 4 245 ? 0.068 -11.255 13.650 0.40 50.08 ? 255 GLN d N 1 +ATOM 39221 N N B GLN V 4 245 ? 0.053 -11.260 13.591 0.60 50.07 ? 255 GLN d N 1 +ATOM 39222 C CA A GLN V 4 245 ? -1.383 -11.302 13.512 0.40 56.88 ? 255 GLN d CA 1 +ATOM 39223 C CA B GLN V 4 245 ? -1.400 -11.302 13.476 0.60 57.06 ? 255 GLN d CA 1 +ATOM 39224 C C A GLN V 4 245 ? -1.953 -10.067 12.817 0.40 50.46 ? 255 GLN d C 1 +ATOM 39225 C C B GLN V 4 245 ? -1.979 -10.067 12.797 0.60 50.49 ? 255 GLN d C 1 +ATOM 39226 O O A GLN V 4 245 ? -3.039 -10.139 12.226 0.40 50.57 ? 255 GLN d O 1 +ATOM 39227 O O B GLN V 4 245 ? -3.060 -10.143 12.201 0.60 50.67 ? 255 GLN d O 1 +ATOM 39228 C CB A GLN V 4 245 ? -2.037 -11.463 14.891 0.40 53.53 ? 255 GLN d CB 1 +ATOM 39229 C CB B GLN V 4 245 ? -2.034 -11.459 14.866 0.60 53.60 ? 255 GLN d CB 1 +ATOM 39230 C CG A GLN V 4 245 ? -1.820 -12.836 15.534 0.40 51.90 ? 255 GLN d CG 1 +ATOM 39231 C CG B GLN V 4 245 ? -1.693 -12.769 15.568 0.60 51.57 ? 255 GLN d CG 1 +ATOM 39232 C CD A GLN V 4 245 ? -2.548 -12.956 16.861 0.40 53.75 ? 255 GLN d CD 1 +ATOM 39233 C CD B GLN V 4 245 ? -2.522 -12.989 16.825 0.60 53.84 ? 255 GLN d CD 1 +ATOM 39234 O OE1 A GLN V 4 245 ? -2.101 -12.420 17.856 0.40 55.05 ? 255 GLN d OE1 1 +ATOM 39235 O OE1 B GLN V 4 245 ? -2.207 -12.461 17.879 0.60 54.88 ? 255 GLN d OE1 1 +ATOM 39236 N NE2 A GLN V 4 245 ? -3.688 -13.635 16.866 0.40 53.87 ? 255 GLN d NE2 1 +ATOM 39237 N NE2 B GLN V 4 245 ? -3.592 -13.767 16.708 0.60 54.61 ? 255 GLN d NE2 1 +ATOM 39238 N N A ILE V 4 246 ? -1.260 -8.934 12.907 0.40 47.74 ? 256 ILE d N 1 +ATOM 39239 N N B ILE V 4 246 ? -1.290 -8.935 12.894 0.60 47.64 ? 256 ILE d N 1 +ATOM 39240 C CA A ILE V 4 246 ? -1.717 -7.708 12.259 0.40 50.92 ? 256 ILE d CA 1 +ATOM 39241 C CA B ILE V 4 246 ? -1.743 -7.710 12.245 0.60 50.96 ? 256 ILE d CA 1 +ATOM 39242 C C A ILE V 4 246 ? -1.312 -7.698 10.793 0.40 56.19 ? 256 ILE d C 1 +ATOM 39243 C C B ILE V 4 246 ? -1.313 -7.691 10.784 0.60 56.44 ? 256 ILE d C 1 +ATOM 39244 O O A ILE V 4 246 ? -2.118 -7.387 9.912 0.40 50.25 ? 256 ILE d O 1 +ATOM 39245 O O B ILE V 4 246 ? -2.112 -7.408 9.886 0.60 50.32 ? 256 ILE d O 1 +ATOM 39246 C CB A ILE V 4 246 ? -1.153 -6.471 12.990 0.40 51.62 ? 256 ILE d CB 1 +ATOM 39247 C CB B ILE V 4 246 ? -1.194 -6.477 12.992 0.60 51.78 ? 256 ILE d CB 1 +ATOM 39248 C CG1 A ILE V 4 246 ? -1.852 -6.237 14.348 0.40 48.37 ? 256 ILE d CG1 1 +ATOM 39249 C CG1 B ILE V 4 246 ? -1.880 -6.285 14.356 0.60 48.39 ? 256 ILE d CG1 1 +ATOM 39250 C CG2 A ILE V 4 246 ? -1.197 -5.215 12.069 0.40 43.87 ? 256 ILE d CG2 1 +ATOM 39251 C CG2 B ILE V 4 246 ? -1.275 -5.223 12.093 0.60 43.79 ? 256 ILE d CG2 1 +ATOM 39252 C CD1 A ILE V 4 246 ? -3.332 -5.878 14.271 0.40 45.96 ? 256 ILE d CD1 1 +ATOM 39253 C CD1 B ILE V 4 246 ? -3.338 -5.862 14.288 0.60 45.89 ? 256 ILE d CD1 1 +ATOM 39254 N N A PHE V 4 247 ? -0.053 -8.044 10.521 0.40 52.34 ? 257 PHE d N 1 +ATOM 39255 N N B PHE V 4 247 ? -0.038 -7.996 10.536 0.60 52.54 ? 257 PHE d N 1 +ATOM 39256 C CA A PHE V 4 247 ? 0.586 -7.820 9.240 0.40 49.74 ? 257 PHE d CA 1 +ATOM 39257 C CA B PHE V 4 247 ? 0.589 -7.799 9.242 0.60 49.76 ? 257 PHE d CA 1 +ATOM 39258 C C A PHE V 4 247 ? 0.989 -9.108 8.543 0.40 48.29 ? 257 PHE d C 1 +ATOM 39259 C C B PHE V 4 247 ? 0.924 -9.098 8.520 0.60 48.25 ? 257 PHE d C 1 +ATOM 39260 O O A PHE V 4 247 ? 1.344 -9.062 7.359 0.40 53.62 ? 257 PHE d O 1 +ATOM 39261 O O B PHE V 4 247 ? 1.170 -9.059 7.311 0.60 53.78 ? 257 PHE d O 1 +ATOM 39262 C CB A PHE V 4 247 ? 1.824 -6.918 9.426 0.40 44.79 ? 257 PHE d CB 1 +ATOM 39263 C CB B PHE V 4 247 ? 1.868 -6.953 9.409 0.60 44.72 ? 257 PHE d CB 1 +ATOM 39264 C CG A PHE V 4 247 ? 2.419 -6.400 8.134 0.40 48.43 ? 257 PHE d CG 1 +ATOM 39265 C CG B PHE V 4 247 ? 2.439 -6.429 8.111 0.60 48.50 ? 257 PHE d CG 1 +ATOM 39266 C CD1 A PHE V 4 247 ? 1.690 -5.561 7.294 0.40 49.22 ? 257 PHE d CD1 1 +ATOM 39267 C CD1 B PHE V 4 247 ? 1.666 -5.645 7.258 0.60 49.30 ? 257 PHE d CD1 1 +ATOM 39268 C CD2 A PHE V 4 247 ? 3.722 -6.724 7.778 0.40 48.01 ? 257 PHE d CD2 1 +ATOM 39269 C CD2 B PHE V 4 247 ? 3.750 -6.698 7.753 0.60 48.02 ? 257 PHE d CD2 1 +ATOM 39270 C CE1 A PHE V 4 247 ? 2.247 -5.072 6.104 0.40 49.06 ? 257 PHE d CE1 1 +ATOM 39271 C CE1 B PHE V 4 247 ? 2.189 -5.163 6.070 0.60 49.04 ? 257 PHE d CE1 1 +ATOM 39272 C CE2 A PHE V 4 247 ? 4.283 -6.240 6.603 0.40 48.58 ? 257 PHE d CE2 1 +ATOM 39273 C CE2 B PHE V 4 247 ? 4.279 -6.210 6.569 0.60 48.55 ? 257 PHE d CE2 1 +ATOM 39274 C CZ A PHE V 4 247 ? 3.543 -5.411 5.764 0.40 48.36 ? 257 PHE d CZ 1 +ATOM 39275 C CZ B PHE V 4 247 ? 3.494 -5.443 5.727 0.60 48.30 ? 257 PHE d CZ 1 +ATOM 39276 N N . GLY V 4 248 ? 0.928 -10.241 9.213 1.00 47.11 ? 258 GLY d N 1 +ATOM 39277 C CA . GLY V 4 248 ? 1.199 -11.502 8.568 1.00 40.66 ? 258 GLY d CA 1 +ATOM 39278 C C . GLY V 4 248 ? 2.590 -12.006 8.862 1.00 52.44 ? 258 GLY d C 1 +ATOM 39279 O O . GLY V 4 248 ? 2.795 -13.209 9.027 1.00 51.66 ? 258 GLY d O 1 +ATOM 39280 N N A ILE V 4 249 ? 3.563 -11.096 8.925 0.40 46.23 ? 259 ILE d N 1 +ATOM 39281 N N B ILE V 4 249 ? 3.565 -11.103 8.935 0.60 46.09 ? 259 ILE d N 1 +ATOM 39282 C CA A ILE V 4 249 ? 4.939 -11.472 9.207 0.40 53.30 ? 259 ILE d CA 1 +ATOM 39283 C CA B ILE V 4 249 ? 4.935 -11.483 9.248 0.60 53.35 ? 259 ILE d CA 1 +ATOM 39284 C C A ILE V 4 249 ? 5.495 -10.498 10.236 0.40 54.38 ? 259 ILE d C 1 +ATOM 39285 C C B ILE V 4 249 ? 5.461 -10.531 10.315 0.60 54.48 ? 259 ILE d C 1 +ATOM 39286 O O A ILE V 4 249 ? 4.997 -9.384 10.412 0.40 55.24 ? 259 ILE d O 1 +ATOM 39287 O O B ILE V 4 249 ? 4.904 -9.459 10.557 0.60 55.38 ? 259 ILE d O 1 +ATOM 39288 C CB A ILE V 4 249 ? 5.830 -11.509 7.936 0.40 52.73 ? 259 ILE d CB 1 +ATOM 39289 C CB B ILE V 4 249 ? 5.866 -11.476 8.009 0.60 52.80 ? 259 ILE d CB 1 +ATOM 39290 C CG1 A ILE V 4 249 ? 5.903 -10.140 7.278 0.40 50.71 ? 259 ILE d CG1 1 +ATOM 39291 C CG1 B ILE V 4 249 ? 5.863 -10.107 7.335 0.60 50.79 ? 259 ILE d CG1 1 +ATOM 39292 C CG2 A ILE V 4 249 ? 5.298 -12.495 6.926 0.40 55.34 ? 259 ILE d CG2 1 +ATOM 39293 C CG2 B ILE V 4 249 ? 5.477 -12.556 7.016 0.60 55.00 ? 259 ILE d CG2 1 +ATOM 39294 C CD1 A ILE V 4 249 ? 7.293 -9.637 7.150 0.40 56.39 ? 259 ILE d CD1 1 +ATOM 39295 C CD1 B ILE V 4 249 ? 7.241 -9.583 7.073 0.60 56.51 ? 259 ILE d CD1 1 +ATOM 39296 N N A ALA V 4 250 ? 6.542 -10.944 10.924 0.40 48.39 ? 260 ALA d N 1 +ATOM 39297 N N B ALA V 4 250 ? 6.554 -10.941 10.953 0.60 48.29 ? 260 ALA d N 1 +ATOM 39298 C CA A ALA V 4 250 ? 7.142 -10.188 12.002 0.40 51.03 ? 260 ALA d CA 1 +ATOM 39299 C CA B ALA V 4 250 ? 7.137 -10.188 12.049 0.60 51.18 ? 260 ALA d CA 1 +ATOM 39300 C C A ALA V 4 250 ? 8.620 -10.529 12.074 0.40 52.04 ? 260 ALA d C 1 +ATOM 39301 C C B ALA V 4 250 ? 8.615 -10.522 12.134 0.60 52.15 ? 260 ALA d C 1 +ATOM 39302 O O A ALA V 4 250 ? 9.034 -11.628 11.698 0.40 53.99 ? 260 ALA d O 1 +ATOM 39303 O O B ALA V 4 250 ? 9.057 -11.590 11.702 0.60 54.03 ? 260 ALA d O 1 +ATOM 39304 C CB A ALA V 4 250 ? 6.452 -10.498 13.349 0.40 46.42 ? 260 ALA d CB 1 +ATOM 39305 C CB B ALA V 4 250 ? 6.440 -10.500 13.385 0.60 46.20 ? 260 ALA d CB 1 +ATOM 39306 N N A PHE V 4 251 ? 9.413 -9.585 12.571 0.40 49.26 ? 261 PHE d N 1 +ATOM 39307 N N B PHE V 4 251 ? 9.382 -9.593 12.693 0.60 49.12 ? 261 PHE d N 1 +ATOM 39308 C CA A PHE V 4 251 ? 10.760 -9.931 12.994 0.40 49.05 ? 261 PHE d CA 1 +ATOM 39309 C CA B PHE V 4 251 ? 10.748 -9.918 13.067 0.60 48.98 ? 261 PHE d CA 1 +ATOM 39310 C C A PHE V 4 251 ? 10.691 -10.916 14.159 0.40 55.27 ? 261 PHE d C 1 +ATOM 39311 C C B PHE V 4 251 ? 10.726 -10.935 14.205 0.60 55.44 ? 261 PHE d C 1 +ATOM 39312 O O A PHE V 4 251 ? 9.809 -10.830 15.021 0.40 50.27 ? 261 PHE d O 1 +ATOM 39313 O O B PHE V 4 251 ? 9.873 -10.879 15.098 0.60 50.17 ? 261 PHE d O 1 +ATOM 39314 C CB A PHE V 4 251 ? 11.543 -8.680 13.419 0.40 50.34 ? 261 PHE d CB 1 +ATOM 39315 C CB B PHE V 4 251 ? 11.508 -8.657 13.500 0.60 50.30 ? 261 PHE d CB 1 +ATOM 39316 C CG A PHE V 4 251 ? 11.958 -7.773 12.278 0.40 54.90 ? 261 PHE d CG 1 +ATOM 39317 C CG B PHE V 4 251 ? 11.968 -7.776 12.355 0.60 55.06 ? 261 PHE d CG 1 +ATOM 39318 C CD1 A PHE V 4 251 ? 13.047 -8.096 11.475 0.40 50.26 ? 261 PHE d CD1 1 +ATOM 39319 C CD1 B PHE V 4 251 ? 13.076 -8.124 11.593 0.60 50.20 ? 261 PHE d CD1 1 +ATOM 39320 C CD2 A PHE V 4 251 ? 11.286 -6.566 12.045 0.40 54.34 ? 261 PHE d CD2 1 +ATOM 39321 C CD2 B PHE V 4 251 ? 11.323 -6.570 12.081 0.60 54.40 ? 261 PHE d CD2 1 +ATOM 39322 C CE1 A PHE V 4 251 ? 13.442 -7.252 10.442 0.40 53.76 ? 261 PHE d CE1 1 +ATOM 39323 C CE1 B PHE V 4 251 ? 13.512 -7.303 10.560 0.60 53.97 ? 261 PHE d CE1 1 +ATOM 39324 C CE2 A PHE V 4 251 ? 11.673 -5.725 11.013 0.40 49.03 ? 261 PHE d CE2 1 +ATOM 39325 C CE2 B PHE V 4 251 ? 11.749 -5.752 11.044 0.60 48.98 ? 261 PHE d CE2 1 +ATOM 39326 C CZ A PHE V 4 251 ? 12.753 -6.070 10.210 0.40 51.41 ? 261 PHE d CZ 1 +ATOM 39327 C CZ B PHE V 4 251 ? 12.847 -6.115 10.289 0.60 51.50 ? 261 PHE d CZ 1 +ATOM 39328 N N A SER V 4 252 ? 11.614 -11.866 14.174 0.40 50.42 ? 262 SER d N 1 +ATOM 39329 N N B SER V 4 252 ? 11.650 -11.886 14.160 0.60 50.36 ? 262 SER d N 1 +ATOM 39330 C CA A SER V 4 252 ? 11.836 -12.693 15.344 0.40 56.24 ? 262 SER d CA 1 +ATOM 39331 C CA B SER V 4 252 ? 11.885 -12.760 15.298 0.60 56.36 ? 262 SER d CA 1 +ATOM 39332 C C A SER V 4 252 ? 13.265 -12.619 15.845 0.40 60.56 ? 262 SER d C 1 +ATOM 39333 C C B SER V 4 252 ? 13.321 -12.721 15.786 0.60 60.83 ? 262 SER d C 1 +ATOM 39334 O O A SER V 4 252 ? 13.536 -13.088 16.954 0.40 59.69 ? 262 SER d O 1 +ATOM 39335 O O B SER V 4 252 ? 13.614 -13.317 16.830 0.60 59.13 ? 262 SER d O 1 +ATOM 39336 C CB A SER V 4 252 ? 11.501 -14.158 15.047 0.40 52.43 ? 262 SER d CB 1 +ATOM 39337 C CB B SER V 4 252 ? 11.524 -14.214 14.958 0.60 52.27 ? 262 SER d CB 1 +ATOM 39338 O OG A SER V 4 252 ? 12.499 -14.714 14.214 0.40 52.38 ? 262 SER d OG 1 +ATOM 39339 O OG B SER V 4 252 ? 12.505 -14.762 14.105 0.60 52.19 ? 262 SER d OG 1 +ATOM 39340 N N A ASN V 4 253 ? 14.181 -12.047 15.064 0.40 56.10 ? 263 ASN d N 1 +ATOM 39341 N N B ASN V 4 253 ? 14.222 -12.055 15.067 0.60 56.12 ? 263 ASN d N 1 +ATOM 39342 C CA A ASN V 4 253 ? 15.594 -12.005 15.407 0.40 56.11 ? 263 ASN d CA 1 +ATOM 39343 C CA B ASN V 4 253 ? 15.641 -12.032 15.404 0.60 56.13 ? 263 ASN d CA 1 +ATOM 39344 C C A ASN V 4 253 ? 16.033 -10.554 15.574 0.40 59.68 ? 263 ASN d C 1 +ATOM 39345 C C B ASN V 4 253 ? 16.087 -10.582 15.576 0.60 59.80 ? 263 ASN d C 1 +ATOM 39346 O O A ASN V 4 253 ? 16.046 -9.781 14.604 0.40 55.38 ? 263 ASN d O 1 +ATOM 39347 O O B ASN V 4 253 ? 16.067 -9.796 14.615 0.60 55.53 ? 263 ASN d O 1 +ATOM 39348 C CB A ASN V 4 253 ? 16.435 -12.722 14.349 0.40 56.71 ? 263 ASN d CB 1 +ATOM 39349 C CB B ASN V 4 253 ? 16.463 -12.754 14.335 0.60 56.70 ? 263 ASN d CB 1 +ATOM 39350 C CG A ASN V 4 253 ? 17.875 -12.852 14.767 0.40 52.98 ? 263 ASN d CG 1 +ATOM 39351 C CG B ASN V 4 253 ? 17.906 -12.931 14.743 0.60 52.85 ? 263 ASN d CG 1 +ATOM 39352 O OD1 A ASN V 4 253 ? 18.561 -11.852 14.997 0.40 54.82 ? 263 ASN d OD1 1 +ATOM 39353 O OD1 B ASN V 4 253 ? 18.632 -11.955 14.922 0.60 55.24 ? 263 ASN d OD1 1 +ATOM 39354 N ND2 A ASN V 4 253 ? 18.334 -14.084 14.917 0.40 57.90 ? 263 ASN d ND2 1 +ATOM 39355 N ND2 B ASN V 4 253 ? 18.331 -14.177 14.893 0.60 57.92 ? 263 ASN d ND2 1 +ATOM 39356 N N A LYS V 4 254 ? 16.413 -10.206 16.804 0.40 53.95 ? 264 LYS d N 1 +ATOM 39357 N N B LYS V 4 254 ? 16.493 -10.247 16.803 0.60 53.88 ? 264 LYS d N 1 +ATOM 39358 C CA A LYS V 4 254 ? 16.727 -8.831 17.183 0.40 53.97 ? 264 LYS d CA 1 +ATOM 39359 C CA B LYS V 4 254 ? 16.796 -8.867 17.172 0.60 53.98 ? 264 LYS d CA 1 +ATOM 39360 C C A LYS V 4 254 ? 17.960 -8.308 16.458 0.40 53.44 ? 264 LYS d C 1 +ATOM 39361 C C B LYS V 4 254 ? 18.017 -8.343 16.425 0.60 53.45 ? 264 LYS d C 1 +ATOM 39362 O O A LYS V 4 254 ? 18.046 -7.106 16.164 0.40 49.90 ? 264 LYS d O 1 +ATOM 39363 O O B LYS V 4 254 ? 18.092 -7.149 16.099 0.60 49.83 ? 264 LYS d O 1 +ATOM 39364 C CB A LYS V 4 254 ? 16.953 -8.774 18.692 0.40 58.38 ? 264 LYS d CB 1 +ATOM 39365 C CB B LYS V 4 254 ? 17.030 -8.798 18.688 0.60 58.36 ? 264 LYS d CB 1 +ATOM 39366 C CG A LYS V 4 254 ? 16.050 -7.860 19.482 0.40 74.05 ? 264 LYS d CG 1 +ATOM 39367 C CG B LYS V 4 254 ? 16.150 -7.836 19.468 0.60 74.34 ? 264 LYS d CG 1 +ATOM 39368 C CD A LYS V 4 254 ? 16.414 -7.979 20.972 0.40 69.58 ? 264 LYS d CD 1 +ATOM 39369 C CD B LYS V 4 254 ? 16.429 -7.989 20.973 0.60 69.61 ? 264 LYS d CD 1 +ATOM 39370 C CE A LYS V 4 254 ? 15.614 -7.034 21.834 0.40 73.71 ? 264 LYS d CE 1 +ATOM 39371 C CE B LYS V 4 254 ? 15.749 -6.908 21.794 0.60 73.54 ? 264 LYS d CE 1 +ATOM 39372 N NZ A LYS V 4 254 ? 15.329 -7.633 23.169 0.40 75.13 ? 264 LYS d NZ 1 +ATOM 39373 N NZ B LYS V 4 254 ? 15.211 -7.426 23.093 0.60 75.85 ? 264 LYS d NZ 1 +ATOM 39374 N N A ARG V 4 255 ? 18.935 -9.184 16.199 0.40 49.83 ? 265 ARG d N 1 +ATOM 39375 N N B ARG V 4 255 ? 19.003 -9.214 16.176 0.60 49.72 ? 265 ARG d N 1 +ATOM 39376 C CA A ARG V 4 255 ? 20.129 -8.767 15.472 0.40 57.00 ? 265 ARG d CA 1 +ATOM 39377 C CA B ARG V 4 255 ? 20.196 -8.786 15.451 0.60 57.15 ? 265 ARG d CA 1 +ATOM 39378 C C A ARG V 4 255 ? 19.806 -8.502 14.004 0.40 54.90 ? 265 ARG d C 1 +ATOM 39379 C C B ARG V 4 255 ? 19.881 -8.532 13.980 0.60 55.01 ? 265 ARG d C 1 +ATOM 39380 O O A ARG V 4 255 ? 20.248 -7.496 13.432 0.40 52.35 ? 265 ARG d O 1 +ATOM 39381 O O B ARG V 4 255 ? 20.384 -7.570 13.387 0.60 52.77 ? 265 ARG d O 1 +ATOM 39382 C CB A ARG V 4 255 ? 21.224 -9.830 15.612 0.40 53.65 ? 265 ARG d CB 1 +ATOM 39383 C CB B ARG V 4 255 ? 21.304 -9.830 15.605 0.60 53.52 ? 265 ARG d CB 1 +ATOM 39384 C CG A ARG V 4 255 ? 21.618 -10.087 17.078 0.40 60.52 ? 265 ARG d CG 1 +ATOM 39385 C CG B ARG V 4 255 ? 21.652 -10.127 17.060 0.60 60.60 ? 265 ARG d CG 1 +ATOM 39386 C CD A ARG V 4 255 ? 22.674 -11.189 17.255 0.40 60.27 ? 265 ARG d CD 1 +ATOM 39387 C CD B ARG V 4 255 ? 22.775 -11.148 17.204 0.60 60.31 ? 265 ARG d CD 1 +ATOM 39388 N NE A ARG V 4 255 ? 23.278 -11.105 18.580 0.40 61.38 ? 265 ARG d NE 1 +ATOM 39389 N NE B ARG V 4 255 ? 23.394 -11.044 18.518 0.60 61.51 ? 265 ARG d NE 1 +ATOM 39390 C CZ A ARG V 4 255 ? 24.543 -11.393 18.867 0.40 65.45 ? 265 ARG d CZ 1 +ATOM 39391 C CZ B ARG V 4 255 ? 24.650 -11.365 18.800 0.60 65.57 ? 265 ARG d CZ 1 +ATOM 39392 N NH1 A ARG V 4 255 ? 25.366 -11.903 17.959 0.40 54.01 ? 265 ARG d NH1 1 +ATOM 39393 N NH1 B ARG V 4 255 ? 25.449 -11.907 17.896 0.60 53.76 ? 265 ARG d NH1 1 +ATOM 39394 N NH2 A ARG V 4 255 ? 25.005 -11.132 20.089 0.40 62.28 ? 265 ARG d NH2 1 +ATOM 39395 N NH2 B ARG V 4 255 ? 25.122 -11.116 20.020 0.60 62.33 ? 265 ARG d NH2 1 +ATOM 39396 N N A TRP V 4 256 ? 19.030 -9.390 13.383 0.40 51.17 ? 266 TRP d N 1 +ATOM 39397 N N B TRP V 4 256 ? 19.041 -9.380 13.379 0.60 51.12 ? 266 TRP d N 1 +ATOM 39398 C CA A TRP V 4 256 ? 18.596 -9.159 12.013 0.40 52.60 ? 266 TRP d CA 1 +ATOM 39399 C CA B TRP V 4 256 ? 18.625 -9.147 12.001 0.60 52.61 ? 266 TRP d CA 1 +ATOM 39400 C C A TRP V 4 256 ? 17.816 -7.848 11.915 0.40 49.20 ? 266 TRP d C 1 +ATOM 39401 C C B TRP V 4 256 ? 17.826 -7.851 11.887 0.60 49.16 ? 266 TRP d C 1 +ATOM 39402 O O A TRP V 4 256 ? 18.082 -7.017 11.043 0.40 50.11 ? 266 TRP d O 1 +ATOM 39403 O O B TRP V 4 256 ? 18.058 -7.047 10.978 0.60 50.28 ? 266 TRP d O 1 +ATOM 39404 C CB A TRP V 4 256 ? 17.769 -10.356 11.519 0.40 46.17 ? 266 TRP d CB 1 +ATOM 39405 C CB B TRP V 4 256 ? 17.819 -10.348 11.482 0.60 46.03 ? 266 TRP d CB 1 +ATOM 39406 C CG A TRP V 4 256 ? 17.072 -10.083 10.224 0.40 53.02 ? 266 TRP d CG 1 +ATOM 39407 C CG B TRP V 4 256 ? 17.111 -10.056 10.188 0.60 53.14 ? 266 TRP d CG 1 +ATOM 39408 C CD1 A TRP V 4 256 ? 15.724 -10.061 10.010 0.40 49.71 ? 266 TRP d CD1 1 +ATOM 39409 C CD1 B TRP V 4 256 ? 15.764 -9.985 9.993 0.60 49.77 ? 266 TRP d CD1 1 +ATOM 39410 C CD2 A TRP V 4 256 ? 17.685 -9.741 8.973 0.40 47.19 ? 266 TRP d CD2 1 +ATOM 39411 C CD2 B TRP V 4 256 ? 17.717 -9.748 8.926 0.60 47.08 ? 266 TRP d CD2 1 +ATOM 39412 N NE1 A TRP V 4 256 ? 15.458 -9.740 8.703 0.40 52.53 ? 266 TRP d NE1 1 +ATOM 39413 N NE1 B TRP V 4 256 ? 15.493 -9.663 8.691 0.60 52.64 ? 266 TRP d NE1 1 +ATOM 39414 C CE2 A TRP V 4 256 ? 16.641 -9.541 8.041 0.40 51.57 ? 266 TRP d CE2 1 +ATOM 39415 C CE2 B TRP V 4 256 ? 16.673 -9.515 8.010 0.60 51.61 ? 266 TRP d CE2 1 +ATOM 39416 C CE3 A TRP V 4 256 ? 19.011 -9.588 8.548 0.40 49.70 ? 266 TRP d CE3 1 +ATOM 39417 C CE3 B TRP V 4 256 ? 19.039 -9.660 8.480 0.60 49.66 ? 266 TRP d CE3 1 +ATOM 39418 C CZ2 A TRP V 4 256 ? 16.880 -9.190 6.708 0.40 48.19 ? 266 TRP d CZ2 1 +ATOM 39419 C CZ2 B TRP V 4 256 ? 16.904 -9.197 6.671 0.60 48.16 ? 266 TRP d CZ2 1 +ATOM 39420 C CZ3 A TRP V 4 256 ? 19.252 -9.249 7.211 0.40 51.52 ? 266 TRP d CZ3 1 +ATOM 39421 C CZ3 B TRP V 4 256 ? 19.274 -9.343 7.145 0.60 51.30 ? 266 TRP d CZ3 1 +ATOM 39422 C CH2 A TRP V 4 256 ? 18.188 -9.054 6.311 0.40 50.89 ? 266 TRP d CH2 1 +ATOM 39423 C CH2 B TRP V 4 256 ? 18.209 -9.113 6.258 0.60 50.85 ? 266 TRP d CH2 1 +ATOM 39424 N N A LEU V 4 257 ? 16.892 -7.622 12.849 0.40 52.17 ? 267 LEU d N 1 +ATOM 39425 N N B LEU V 4 257 ? 16.904 -7.620 12.825 0.60 52.21 ? 267 LEU d N 1 +ATOM 39426 C CA A LEU V 4 257 ? 16.087 -6.409 12.831 0.40 53.18 ? 267 LEU d CA 1 +ATOM 39427 C CA B LEU V 4 257 ? 16.107 -6.397 12.819 0.60 53.19 ? 267 LEU d CA 1 +ATOM 39428 C C A LEU V 4 257 ? 16.965 -5.158 12.798 0.40 54.48 ? 267 LEU d C 1 +ATOM 39429 C C B LEU V 4 257 ? 16.995 -5.157 12.788 0.60 54.61 ? 267 LEU d C 1 +ATOM 39430 O O A LEU V 4 257 ? 16.725 -4.243 12.008 0.40 52.31 ? 267 LEU d O 1 +ATOM 39431 O O B LEU V 4 257 ? 16.751 -4.219 12.023 0.60 52.39 ? 267 LEU d O 1 +ATOM 39432 C CB A LEU V 4 257 ? 15.157 -6.395 14.049 0.40 56.95 ? 267 LEU d CB 1 +ATOM 39433 C CB B LEU V 4 257 ? 15.189 -6.377 14.050 0.60 57.07 ? 267 LEU d CB 1 +ATOM 39434 C CG A LEU V 4 257 ? 14.051 -5.342 14.205 0.40 58.19 ? 267 LEU d CG 1 +ATOM 39435 C CG B LEU V 4 257 ? 14.075 -5.334 14.213 0.60 58.32 ? 267 LEU d CG 1 +ATOM 39436 C CD1 A LEU V 4 257 ? 13.218 -5.678 15.405 0.40 52.97 ? 267 LEU d CD1 1 +ATOM 39437 C CD1 B LEU V 4 257 ? 13.149 -5.763 15.331 0.60 52.95 ? 267 LEU d CD1 1 +ATOM 39438 C CD2 A LEU V 4 257 ? 14.577 -3.931 14.339 0.40 55.48 ? 267 LEU d CD2 1 +ATOM 39439 C CD2 B LEU V 4 257 ? 14.614 -3.953 14.500 0.60 55.85 ? 267 LEU d CD2 1 +ATOM 39440 N N A HIS V 4 258 ? 17.981 -5.086 13.658 0.40 47.63 ? 268 HIS d N 1 +ATOM 39441 N N B HIS V 4 258 ? 18.032 -5.130 13.619 0.60 47.62 ? 268 HIS d N 1 +ATOM 39442 C CA A HIS V 4 258 ? 18.804 -3.879 13.662 0.40 48.36 ? 268 HIS d CA 1 +ATOM 39443 C CA B HIS V 4 258 ? 18.875 -3.942 13.672 0.60 48.32 ? 268 HIS d CA 1 +ATOM 39444 C C A HIS V 4 258 ? 19.781 -3.828 12.487 0.40 45.21 ? 268 HIS d C 1 +ATOM 39445 C C B HIS V 4 258 ? 19.872 -3.881 12.519 0.60 45.10 ? 268 HIS d C 1 +ATOM 39446 O O A HIS V 4 258 ? 20.102 -2.736 12.005 0.40 47.00 ? 268 HIS d O 1 +ATOM 39447 O O B HIS V 4 258 ? 20.241 -2.784 12.087 0.60 46.90 ? 268 HIS d O 1 +ATOM 39448 C CB A HIS V 4 258 ? 19.530 -3.750 15.005 0.40 51.17 ? 268 HIS d CB 1 +ATOM 39449 C CB B HIS V 4 258 ? 19.580 -3.872 15.024 0.60 51.13 ? 268 HIS d CB 1 +ATOM 39450 C CG A HIS V 4 258 ? 18.602 -3.453 16.144 0.40 55.40 ? 268 HIS d CG 1 +ATOM 39451 C CG B HIS V 4 258 ? 18.645 -3.568 16.152 0.60 55.68 ? 268 HIS d CG 1 +ATOM 39452 N ND1 A HIS V 4 258 ? 17.924 -4.442 16.827 0.40 53.66 ? 268 HIS d ND1 1 +ATOM 39453 N ND1 B HIS V 4 258 ? 17.971 -4.551 16.847 0.60 53.49 ? 268 HIS d ND1 1 +ATOM 39454 C CD2 A HIS V 4 258 ? 18.187 -2.276 16.674 0.40 49.71 ? 268 HIS d CD2 1 +ATOM 39455 C CD2 B HIS V 4 258 ? 18.221 -2.387 16.662 0.60 49.52 ? 268 HIS d CD2 1 +ATOM 39456 C CE1 A HIS V 4 258 ? 17.157 -3.886 17.750 0.40 52.71 ? 268 HIS d CE1 1 +ATOM 39457 C CE1 B HIS V 4 258 ? 17.198 -3.987 17.759 0.60 52.67 ? 268 HIS d CE1 1 +ATOM 39458 N NE2 A HIS V 4 258 ? 17.301 -2.576 17.681 0.40 51.38 ? 268 HIS d NE2 1 +ATOM 39459 N NE2 B HIS V 4 258 ? 17.332 -2.676 17.668 0.60 51.28 ? 268 HIS d NE2 1 +ATOM 39460 N N A PHE V 4 259 ? 20.267 -4.969 11.999 0.40 48.91 ? 269 PHE d N 1 +ATOM 39461 N N B PHE V 4 259 ? 20.325 -5.023 12.001 0.60 48.92 ? 269 PHE d N 1 +ATOM 39462 C CA A PHE V 4 259 ? 21.052 -4.905 10.776 0.40 51.72 ? 269 PHE d CA 1 +ATOM 39463 C CA B PHE V 4 259 ? 21.099 -4.950 10.773 0.60 51.80 ? 269 PHE d CA 1 +ATOM 39464 C C A PHE V 4 259 ? 20.193 -4.393 9.629 0.40 48.30 ? 269 PHE d C 1 +ATOM 39465 C C B PHE V 4 259 ? 20.242 -4.410 9.639 0.60 48.33 ? 269 PHE d C 1 +ATOM 39466 O O A PHE V 4 259 ? 20.651 -3.595 8.808 0.40 49.56 ? 269 PHE d O 1 +ATOM 39467 O O B PHE V 4 259 ? 20.681 -3.545 8.879 0.60 49.61 ? 269 PHE d O 1 +ATOM 39468 C CB A PHE V 4 259 ? 21.648 -6.260 10.398 0.40 47.96 ? 269 PHE d CB 1 +ATOM 39469 C CB B PHE V 4 259 ? 21.676 -6.302 10.374 0.60 47.83 ? 269 PHE d CB 1 +ATOM 39470 C CG A PHE V 4 259 ? 22.346 -6.218 9.068 0.40 50.26 ? 269 PHE d CG 1 +ATOM 39471 C CG B PHE V 4 259 ? 22.391 -6.246 9.059 0.60 50.20 ? 269 PHE d CG 1 +ATOM 39472 C CD1 A PHE V 4 259 ? 23.639 -5.713 8.967 0.40 49.95 ? 269 PHE d CD1 1 +ATOM 39473 C CD1 B PHE V 4 259 ? 23.699 -5.794 8.990 0.60 49.87 ? 269 PHE d CD1 1 +ATOM 39474 C CD2 A PHE V 4 259 ? 21.677 -6.572 7.906 0.40 54.40 ? 269 PHE d CD2 1 +ATOM 39475 C CD2 B PHE V 4 259 ? 21.731 -6.565 7.875 0.60 54.51 ? 269 PHE d CD2 1 +ATOM 39476 C CE1 A PHE V 4 259 ? 24.274 -5.614 7.731 0.40 56.28 ? 269 PHE d CE1 1 +ATOM 39477 C CE1 B PHE V 4 259 ? 24.353 -5.702 7.770 0.60 56.31 ? 269 PHE d CE1 1 +ATOM 39478 C CE2 A PHE V 4 259 ? 22.303 -6.473 6.659 0.40 50.10 ? 269 PHE d CE2 1 +ATOM 39479 C CE2 B PHE V 4 259 ? 22.376 -6.466 6.648 0.60 50.01 ? 269 PHE d CE2 1 +ATOM 39480 C CZ A PHE V 4 259 ? 23.606 -5.997 6.576 0.40 52.59 ? 269 PHE d CZ 1 +ATOM 39481 C CZ B PHE V 4 259 ? 23.686 -6.040 6.596 0.60 52.63 ? 269 PHE d CZ 1 +ATOM 39482 N N A PHE V 4 260 ? 18.947 -4.860 9.554 0.40 50.91 ? 270 PHE d N 1 +ATOM 39483 N N B PHE V 4 260 ? 19.013 -4.914 9.517 0.60 50.92 ? 270 PHE d N 1 +ATOM 39484 C CA A PHE V 4 260 ? 18.037 -4.413 8.510 0.40 53.35 ? 270 PHE d CA 1 +ATOM 39485 C CA B PHE V 4 260 ? 18.091 -4.443 8.491 0.60 53.45 ? 270 PHE d CA 1 +ATOM 39486 C C A PHE V 4 260 ? 17.797 -2.906 8.591 0.40 50.61 ? 270 PHE d C 1 +ATOM 39487 C C B PHE V 4 260 ? 17.847 -2.939 8.600 0.60 50.65 ? 270 PHE d C 1 +ATOM 39488 O O A PHE V 4 260 ? 17.663 -2.244 7.552 0.40 49.80 ? 270 PHE d O 1 +ATOM 39489 O O B PHE V 4 260 ? 17.675 -2.264 7.577 0.60 49.93 ? 270 PHE d O 1 +ATOM 39490 C CB A PHE V 4 260 ? 16.726 -5.205 8.615 0.40 50.54 ? 270 PHE d CB 1 +ATOM 39491 C CB B PHE V 4 260 ? 16.780 -5.227 8.601 0.60 50.57 ? 270 PHE d CB 1 +ATOM 39492 C CG A PHE V 4 260 ? 15.847 -5.090 7.409 0.40 48.46 ? 270 PHE d CG 1 +ATOM 39493 C CG B PHE V 4 260 ? 15.892 -5.121 7.396 0.60 48.37 ? 270 PHE d CG 1 +ATOM 39494 C CD1 A PHE V 4 260 ? 16.257 -5.597 6.188 0.40 52.53 ? 270 PHE d CD1 1 +ATOM 39495 C CD1 B PHE V 4 260 ? 16.319 -5.578 6.160 0.60 52.57 ? 270 PHE d CD1 1 +ATOM 39496 C CD2 A PHE V 4 260 ? 14.606 -4.468 7.495 0.40 48.32 ? 270 PHE d CD2 1 +ATOM 39497 C CD2 B PHE V 4 260 ? 14.617 -4.585 7.506 0.60 48.55 ? 270 PHE d CD2 1 +ATOM 39498 C CE1 A PHE V 4 260 ? 15.442 -5.473 5.052 0.40 57.23 ? 270 PHE d CE1 1 +ATOM 39499 C CE1 B PHE V 4 260 ? 15.492 -5.485 5.038 0.60 57.38 ? 270 PHE d CE1 1 +ATOM 39500 C CE2 A PHE V 4 260 ? 13.784 -4.361 6.390 0.40 53.34 ? 270 PHE d CE2 1 +ATOM 39501 C CE2 B PHE V 4 260 ? 13.778 -4.506 6.404 0.60 53.20 ? 270 PHE d CE2 1 +ATOM 39502 C CZ A PHE V 4 260 ? 14.202 -4.852 5.156 0.40 48.52 ? 270 PHE d CZ 1 +ATOM 39503 C CZ B PHE V 4 260 ? 14.216 -4.952 5.161 0.60 48.45 ? 270 PHE d CZ 1 +ATOM 39504 N N A MET V 4 261 ? 17.776 -2.336 9.806 0.40 50.19 ? 271 MET d N 1 +ATOM 39505 N N B MET V 4 261 ? 17.839 -2.390 9.821 0.60 50.24 ? 271 MET d N 1 +ATOM 39506 C CA A MET V 4 261 ? 17.625 -0.883 9.940 0.40 51.89 ? 271 MET d CA 1 +ATOM 39507 C CA B MET V 4 261 ? 17.686 -0.942 9.961 0.60 52.03 ? 271 MET d CA 1 +ATOM 39508 C C A MET V 4 261 ? 18.841 -0.123 9.414 0.40 46.34 ? 271 MET d C 1 +ATOM 39509 C C B MET V 4 261 ? 18.898 -0.186 9.421 0.60 46.30 ? 271 MET d C 1 +ATOM 39510 O O A MET V 4 261 ? 18.698 0.998 8.921 0.40 48.58 ? 271 MET d O 1 +ATOM 39511 O O B MET V 4 261 ? 18.749 0.924 8.905 0.60 48.50 ? 271 MET d O 1 +ATOM 39512 C CB A MET V 4 261 ? 17.352 -0.502 11.397 0.40 44.46 ? 271 MET d CB 1 +ATOM 39513 C CB B MET V 4 261 ? 17.425 -0.570 11.419 0.60 44.38 ? 271 MET d CB 1 +ATOM 39514 C CG A MET V 4 261 ? 15.999 -1.017 11.882 0.40 51.22 ? 271 MET d CG 1 +ATOM 39515 C CG B MET V 4 261 ? 16.051 -1.008 11.888 0.60 51.34 ? 271 MET d CG 1 +ATOM 39516 S SD A MET V 4 261 ? 15.606 -0.568 13.580 0.40 54.86 ? 271 MET d SD 1 +ATOM 39517 S SD B MET V 4 261 ? 15.687 -0.541 13.586 0.60 54.89 ? 271 MET d SD 1 +ATOM 39518 C CE A MET V 4 261 ? 15.380 1.211 13.449 0.40 48.10 ? 271 MET d CE 1 +ATOM 39519 C CE B MET V 4 261 ? 15.385 1.227 13.369 0.60 48.06 ? 271 MET d CE 1 +ATOM 39520 N N A LEU V 4 262 ? 20.038 -0.691 9.536 0.40 49.99 ? 272 LEU d N 1 +ATOM 39521 N N B LEU V 4 262 ? 20.098 -0.752 9.550 0.60 50.02 ? 272 LEU d N 1 +ATOM 39522 C CA A LEU V 4 262 ? 21.199 -0.101 8.885 0.40 47.62 ? 272 LEU d CA 1 +ATOM 39523 C CA B LEU V 4 262 ? 21.259 -0.160 8.896 0.60 47.58 ? 272 LEU d CA 1 +ATOM 39524 C C A LEU V 4 262 ? 21.099 -0.260 7.369 0.40 53.53 ? 272 LEU d C 1 +ATOM 39525 C C B LEU V 4 262 ? 21.143 -0.289 7.382 0.60 53.74 ? 272 LEU d C 1 +ATOM 39526 O O A LEU V 4 262 ? 21.386 0.678 6.626 0.40 51.29 ? 272 LEU d O 1 +ATOM 39527 O O B LEU V 4 262 ? 21.403 0.669 6.650 0.60 51.35 ? 272 LEU d O 1 +ATOM 39528 C CB A LEU V 4 262 ? 22.476 -0.759 9.410 0.40 53.93 ? 272 LEU d CB 1 +ATOM 39529 C CB B LEU V 4 262 ? 22.533 -0.841 9.396 0.60 54.06 ? 272 LEU d CB 1 +ATOM 39530 C CG A LEU V 4 262 ? 23.907 -0.406 8.960 0.40 59.71 ? 272 LEU d CG 1 +ATOM 39531 C CG B LEU V 4 262 ? 23.964 -0.474 8.967 0.60 60.02 ? 272 LEU d CG 1 +ATOM 39532 C CD1 A LEU V 4 262 ? 24.902 -1.224 9.802 0.40 63.07 ? 272 LEU d CD1 1 +ATOM 39533 C CD1 B LEU V 4 262 ? 24.940 -1.276 9.839 0.60 63.09 ? 272 LEU d CD1 1 +ATOM 39534 C CD2 A LEU V 4 262 ? 24.184 -0.691 7.506 0.40 58.46 ? 272 LEU d CD2 1 +ATOM 39535 C CD2 B LEU V 4 262 ? 24.270 -0.754 7.509 0.60 58.59 ? 272 LEU d CD2 1 +ATOM 39536 N N A PHE V 4 263 ? 20.699 -1.448 6.904 0.40 47.36 ? 273 PHE d N 1 +ATOM 39537 N N B PHE V 4 263 ? 20.731 -1.465 6.904 0.60 47.29 ? 273 PHE d N 1 +ATOM 39538 C CA A PHE V 4 263 ? 20.797 -1.786 5.487 0.40 49.02 ? 273 PHE d CA 1 +ATOM 39539 C CA B PHE V 4 263 ? 20.839 -1.790 5.486 0.60 49.06 ? 273 PHE d CA 1 +ATOM 39540 C C A PHE V 4 263 ? 19.896 -0.905 4.619 0.40 45.36 ? 273 PHE d C 1 +ATOM 39541 C C B PHE V 4 263 ? 19.938 -0.905 4.629 0.60 45.32 ? 273 PHE d C 1 +ATOM 39542 O O A PHE V 4 263 ? 20.321 -0.431 3.559 0.40 45.08 ? 273 PHE d O 1 +ATOM 39543 O O B PHE V 4 263 ? 20.356 -0.436 3.568 0.60 45.03 ? 273 PHE d O 1 +ATOM 39544 C CB A PHE V 4 263 ? 20.453 -3.270 5.291 0.40 44.11 ? 273 PHE d CB 1 +ATOM 39545 C CB B PHE V 4 263 ? 20.511 -3.278 5.276 0.60 43.97 ? 273 PHE d CB 1 +ATOM 39546 C CG A PHE V 4 263 ? 20.450 -3.703 3.852 0.40 49.80 ? 273 PHE d CG 1 +ATOM 39547 C CG B PHE V 4 263 ? 20.532 -3.717 3.839 0.60 49.84 ? 273 PHE d CG 1 +ATOM 39548 C CD1 A PHE V 4 263 ? 21.636 -4.042 3.218 0.40 50.92 ? 273 PHE d CD1 1 +ATOM 39549 C CD1 B PHE V 4 263 ? 21.720 -4.102 3.236 0.60 50.85 ? 273 PHE d CD1 1 +ATOM 39550 C CD2 A PHE V 4 263 ? 19.264 -3.740 3.122 0.40 43.40 ? 273 PHE d CD2 1 +ATOM 39551 C CD2 B PHE V 4 263 ? 19.363 -3.751 3.087 0.60 43.37 ? 273 PHE d CD2 1 +ATOM 39552 C CE1 A PHE V 4 263 ? 21.649 -4.414 1.879 0.40 51.76 ? 273 PHE d CE1 1 +ATOM 39553 C CE1 B PHE V 4 263 ? 21.752 -4.499 1.893 0.60 51.94 ? 273 PHE d CE1 1 +ATOM 39554 C CE2 A PHE V 4 263 ? 19.271 -4.121 1.791 0.40 52.82 ? 273 PHE d CE2 1 +ATOM 39555 C CE2 B PHE V 4 263 ? 19.386 -4.156 1.755 0.60 53.07 ? 273 PHE d CE2 1 +ATOM 39556 C CZ A PHE V 4 263 ? 20.463 -4.458 1.165 0.40 47.64 ? 273 PHE d CZ 1 +ATOM 39557 C CZ B PHE V 4 263 ? 20.584 -4.532 1.156 0.60 47.41 ? 273 PHE d CZ 1 +ATOM 39558 N N A VAL V 4 264 ? 18.653 -0.686 5.035 0.40 47.60 ? 274 VAL d N 1 +ATOM 39559 N N B VAL V 4 264 ? 18.704 -0.671 5.062 0.60 47.60 ? 274 VAL d N 1 +ATOM 39560 C CA A VAL V 4 264 ? 17.653 -0.092 4.144 0.40 47.51 ? 274 VAL d CA 1 +ATOM 39561 C CA B VAL V 4 264 ? 17.676 -0.130 4.169 0.60 47.57 ? 274 VAL d CA 1 +ATOM 39562 C C A VAL V 4 264 ? 18.018 1.349 3.760 0.40 51.71 ? 274 VAL d C 1 +ATOM 39563 C C B VAL V 4 264 ? 17.995 1.309 3.755 0.60 51.86 ? 274 VAL d C 1 +ATOM 39564 O O A VAL V 4 264 ? 18.159 1.631 2.560 0.40 47.39 ? 274 VAL d O 1 +ATOM 39565 O O B VAL V 4 264 ? 18.052 1.593 2.544 0.60 47.56 ? 274 VAL d O 1 +ATOM 39566 C CB A VAL V 4 264 ? 16.244 -0.200 4.761 0.40 50.35 ? 274 VAL d CB 1 +ATOM 39567 C CB B VAL V 4 264 ? 16.278 -0.264 4.807 0.60 50.48 ? 274 VAL d CB 1 +ATOM 39568 C CG1 A VAL V 4 264 ? 15.258 0.715 4.039 0.40 46.40 ? 274 VAL d CG1 1 +ATOM 39569 C CG1 B VAL V 4 264 ? 15.261 0.570 4.055 0.60 46.36 ? 274 VAL d CG1 1 +ATOM 39570 C CG2 A VAL V 4 264 ? 15.745 -1.648 4.708 0.40 47.84 ? 274 VAL d CG2 1 +ATOM 39571 C CG2 B VAL V 4 264 ? 15.839 -1.739 4.814 0.60 47.54 ? 274 VAL d CG2 1 +ATOM 39572 N N A PRO V 4 265 ? 18.191 2.297 4.692 0.40 46.70 ? 275 PRO d N 1 +ATOM 39573 N N B PRO V 4 265 ? 18.220 2.254 4.678 0.60 46.59 ? 275 PRO d N 1 +ATOM 39574 C CA A PRO V 4 265 ? 18.531 3.665 4.242 0.40 50.60 ? 275 PRO d CA 1 +ATOM 39575 C CA B PRO V 4 265 ? 18.556 3.614 4.215 0.60 50.65 ? 275 PRO d CA 1 +ATOM 39576 C C A PRO V 4 265 ? 19.917 3.768 3.627 0.40 46.95 ? 275 PRO d C 1 +ATOM 39577 C C B PRO V 4 265 ? 19.953 3.717 3.621 0.60 46.95 ? 275 PRO d C 1 +ATOM 39578 O O A PRO V 4 265 ? 20.100 4.541 2.680 0.40 47.44 ? 275 PRO d O 1 +ATOM 39579 O O B PRO V 4 265 ? 20.149 4.493 2.678 0.60 47.38 ? 275 PRO d O 1 +ATOM 39580 C CB A PRO V 4 265 ? 18.404 4.513 5.522 0.40 50.05 ? 275 PRO d CB 1 +ATOM 39581 C CB B PRO V 4 265 ? 18.405 4.474 5.480 0.60 50.15 ? 275 PRO d CB 1 +ATOM 39582 C CG A PRO V 4 265 ? 18.634 3.548 6.634 0.40 54.72 ? 275 PRO d CG 1 +ATOM 39583 C CG B PRO V 4 265 ? 18.647 3.534 6.604 0.60 54.92 ? 275 PRO d CG 1 +ATOM 39584 C CD A PRO V 4 265 ? 18.048 2.229 6.159 0.40 47.67 ? 275 PRO d CD 1 +ATOM 39585 C CD B PRO V 4 265 ? 18.132 2.185 6.151 0.60 47.68 ? 275 PRO d CD 1 +ATOM 39586 N N A VAL V 4 266 ? 20.892 2.986 4.093 0.40 46.23 ? 276 VAL d N 1 +ATOM 39587 N N B VAL V 4 266 ? 20.925 2.950 4.121 0.60 46.19 ? 276 VAL d N 1 +ATOM 39588 C CA A VAL V 4 266 ? 22.234 3.074 3.519 0.40 50.18 ? 276 VAL d CA 1 +ATOM 39589 C CA B VAL V 4 266 ? 22.276 3.026 3.563 0.60 50.36 ? 276 VAL d CA 1 +ATOM 39590 C C A VAL V 4 266 ? 22.238 2.616 2.060 0.40 49.20 ? 276 VAL d C 1 +ATOM 39591 C C B VAL V 4 266 ? 22.277 2.571 2.109 0.60 49.28 ? 276 VAL d C 1 +ATOM 39592 O O A VAL V 4 266 ? 22.877 3.240 1.199 0.40 51.85 ? 276 VAL d O 1 +ATOM 39593 O O B VAL V 4 266 ? 22.929 3.181 1.248 0.60 52.00 ? 276 VAL d O 1 +ATOM 39594 C CB A VAL V 4 266 ? 23.234 2.268 4.371 0.40 51.87 ? 276 VAL d CB 1 +ATOM 39595 C CB B VAL V 4 266 ? 23.263 2.200 4.413 0.60 51.93 ? 276 VAL d CB 1 +ATOM 39596 C CG1 A VAL V 4 266 ? 24.574 2.120 3.642 0.40 45.32 ? 276 VAL d CG1 1 +ATOM 39597 C CG1 B VAL V 4 266 ? 24.602 2.028 3.680 0.60 45.10 ? 276 VAL d CG1 1 +ATOM 39598 C CG2 A VAL V 4 266 ? 23.410 2.928 5.760 0.40 46.19 ? 276 VAL d CG2 1 +ATOM 39599 C CG2 B VAL V 4 266 ? 23.475 2.863 5.764 0.60 46.12 ? 276 VAL d CG2 1 +ATOM 39600 N N A THR V 4 267 ? 21.529 1.527 1.752 0.40 49.88 ? 277 THR d N 1 +ATOM 39601 N N B THR V 4 267 ? 21.541 1.502 1.807 0.60 50.05 ? 277 THR d N 1 +ATOM 39602 C CA A THR V 4 267 ? 21.471 1.043 0.373 0.40 44.42 ? 277 THR d CA 1 +ATOM 39603 C CA B THR V 4 267 ? 21.482 1.019 0.432 0.60 44.33 ? 277 THR d CA 1 +ATOM 39604 C C A THR V 4 267 ? 20.725 2.026 -0.521 0.40 43.39 ? 277 THR d C 1 +ATOM 39605 C C B THR V 4 267 ? 20.748 2.006 -0.471 0.60 43.33 ? 277 THR d C 1 +ATOM 39606 O O A THR V 4 267 ? 21.159 2.310 -1.642 0.40 46.90 ? 277 THR d O 1 +ATOM 39607 O O B THR V 4 267 ? 21.182 2.262 -1.599 0.60 46.98 ? 277 THR d O 1 +ATOM 39608 C CB A THR V 4 267 ? 20.826 -0.346 0.348 0.40 49.41 ? 277 THR d CB 1 +ATOM 39609 C CB B THR V 4 267 ? 20.833 -0.367 0.412 0.60 49.44 ? 277 THR d CB 1 +ATOM 39610 O OG1 A THR V 4 267 ? 21.659 -1.245 1.078 0.40 46.99 ? 277 THR d OG1 1 +ATOM 39611 O OG1 B THR V 4 267 ? 21.668 -1.272 1.139 0.60 47.06 ? 277 THR d OG1 1 +ATOM 39612 C CG2 A THR V 4 267 ? 20.637 -0.877 -1.082 0.40 45.44 ? 277 THR d CG2 1 +ATOM 39613 C CG2 B THR V 4 267 ? 20.648 -0.884 -1.020 0.60 45.48 ? 277 THR d CG2 1 +ATOM 39614 N N A GLY V 4 268 ? 19.640 2.602 -0.014 0.40 46.71 ? 278 GLY d N 1 +ATOM 39615 N N B GLY V 4 268 ? 19.669 2.607 0.030 0.60 46.77 ? 278 GLY d N 1 +ATOM 39616 C CA A GLY V 4 268 ? 18.886 3.566 -0.798 0.40 48.95 ? 278 GLY d CA 1 +ATOM 39617 C CA B GLY V 4 268 ? 18.903 3.542 -0.777 0.60 48.96 ? 278 GLY d CA 1 +ATOM 39618 C C A GLY V 4 268 ? 19.693 4.787 -1.207 0.40 52.38 ? 278 GLY d C 1 +ATOM 39619 C C B GLY V 4 268 ? 19.703 4.762 -1.203 0.60 52.54 ? 278 GLY d C 1 +ATOM 39620 O O A GLY V 4 268 ? 19.623 5.227 -2.356 0.40 50.28 ? 278 GLY d O 1 +ATOM 39621 O O B GLY V 4 268 ? 19.664 5.166 -2.368 0.60 50.36 ? 278 GLY d O 1 +ATOM 39622 N N . LEU V 4 269 ? 20.436 5.370 -0.264 1.00 47.73 ? 279 LEU d N 1 +ATOM 39623 C CA . LEU V 4 269 ? 21.262 6.525 -0.612 1.00 44.72 ? 279 LEU d CA 1 +ATOM 39624 C C . LEU V 4 269 ? 22.325 6.149 -1.634 1.00 43.84 ? 279 LEU d C 1 +ATOM 39625 O O . LEU V 4 269 ? 22.571 6.903 -2.578 1.00 46.76 ? 279 LEU d O 1 +ATOM 39626 C CB . LEU V 4 269 ? 21.906 7.133 0.639 1.00 48.17 ? 279 LEU d CB 1 +ATOM 39627 C CG . LEU V 4 269 ? 21.219 8.399 1.157 1.00 52.07 ? 279 LEU d CG 1 +ATOM 39628 C CD1 . LEU V 4 269 ? 19.787 8.095 1.559 1.00 47.57 ? 279 LEU d CD1 1 +ATOM 39629 C CD2 . LEU V 4 269 ? 21.999 9.037 2.339 1.00 46.68 ? 279 LEU d CD2 1 +ATOM 39630 N N . TRP V 4 270 ? 22.951 4.977 -1.472 1.00 44.53 ? 280 TRP d N 1 +ATOM 39631 C CA . TRP V 4 270 ? 23.945 4.524 -2.444 1.00 50.61 ? 280 TRP d CA 1 +ATOM 39632 C C . TRP V 4 270 ? 23.338 4.370 -3.828 1.00 50.11 ? 280 TRP d C 1 +ATOM 39633 O O . TRP V 4 270 ? 23.975 4.711 -4.833 1.00 50.63 ? 280 TRP d O 1 +ATOM 39634 C CB . TRP V 4 270 ? 24.564 3.198 -2.005 1.00 47.34 ? 280 TRP d CB 1 +ATOM 39635 C CG . TRP V 4 270 ? 25.825 3.358 -1.214 1.00 50.57 ? 280 TRP d CG 1 +ATOM 39636 C CD1 . TRP V 4 270 ? 25.942 3.365 0.148 1.00 41.50 ? 280 TRP d CD1 1 +ATOM 39637 C CD2 . TRP V 4 270 ? 27.151 3.517 -1.734 1.00 47.62 ? 280 TRP d CD2 1 +ATOM 39638 N NE1 . TRP V 4 270 ? 27.258 3.511 0.505 1.00 47.47 ? 280 TRP d NE1 1 +ATOM 39639 C CE2 . TRP V 4 270 ? 28.023 3.621 -0.623 1.00 46.21 ? 280 TRP d CE2 1 +ATOM 39640 C CE3 . TRP V 4 270 ? 27.686 3.593 -3.030 1.00 43.77 ? 280 TRP d CE3 1 +ATOM 39641 C CZ2 . TRP V 4 270 ? 29.407 3.798 -0.764 1.00 49.07 ? 280 TRP d CZ2 1 +ATOM 39642 C CZ3 . TRP V 4 270 ? 29.068 3.747 -3.175 1.00 52.12 ? 280 TRP d CZ3 1 +ATOM 39643 C CH2 . TRP V 4 270 ? 29.916 3.847 -2.045 1.00 47.66 ? 280 TRP d CH2 1 +ATOM 39644 N N . MET V 4 271 ? 22.114 3.843 -3.905 1.00 51.28 ? 281 MET d N 1 +ATOM 39645 C CA . MET V 4 271 ? 21.477 3.686 -5.206 1.00 44.23 ? 281 MET d CA 1 +ATOM 39646 C C . MET V 4 271 ? 21.222 5.044 -5.854 1.00 45.31 ? 281 MET d C 1 +ATOM 39647 O O . MET V 4 271 ? 21.448 5.211 -7.052 1.00 46.30 ? 281 MET d O 1 +ATOM 39648 C CB . MET V 4 271 ? 20.183 2.881 -5.074 1.00 50.44 ? 281 MET d CB 1 +ATOM 39649 C CG . MET V 4 271 ? 20.394 1.365 -4.776 1.00 42.61 ? 281 MET d CG 1 +ATOM 39650 S SD . MET V 4 271 ? 21.495 0.557 -5.954 1.00 54.00 ? 281 MET d SD 1 +ATOM 39651 C CE . MET V 4 271 ? 23.044 0.475 -5.035 1.00 54.88 ? 281 MET d CE 1 +ATOM 39652 N N . SER V 4 272 ? 20.787 6.037 -5.073 1.00 43.63 ? 282 SER d N 1 +ATOM 39653 C CA . SER V 4 272 ? 20.558 7.348 -5.660 1.00 44.80 ? 282 SER d CA 1 +ATOM 39654 C C . SER V 4 272 ? 21.867 7.981 -6.124 1.00 47.05 ? 282 SER d C 1 +ATOM 39655 O O . SER V 4 272 ? 21.889 8.661 -7.154 1.00 45.47 ? 282 SER d O 1 +ATOM 39656 C CB . SER V 4 272 ? 19.808 8.255 -4.674 1.00 46.31 ? 282 SER d CB 1 +ATOM 39657 O OG . SER V 4 272 ? 20.558 8.554 -3.504 1.00 53.57 ? 282 SER d OG 1 +ATOM 39658 N N . ALA V 4 273 ? 22.973 7.732 -5.411 1.00 46.83 ? 283 ALA d N 1 +ATOM 39659 C CA . ALA V 4 273 ? 24.263 8.260 -5.856 1.00 49.59 ? 283 ALA d CA 1 +ATOM 39660 C C . ALA V 4 273 ? 24.608 7.759 -7.249 1.00 44.64 ? 283 ALA d C 1 +ATOM 39661 O O . ALA V 4 273 ? 25.155 8.504 -8.070 1.00 53.72 ? 283 ALA d O 1 +ATOM 39662 C CB . ALA V 4 273 ? 25.365 7.883 -4.860 1.00 48.04 ? 283 ALA d CB 1 +ATOM 39663 N N . ILE V 4 274 ? 24.277 6.498 -7.543 1.00 47.02 ? 284 ILE d N 1 +ATOM 39664 C CA . ILE V 4 274 ? 24.625 5.927 -8.841 1.00 41.84 ? 284 ILE d CA 1 +ATOM 39665 C C . ILE V 4 274 ? 23.834 6.605 -9.958 1.00 50.31 ? 284 ILE d C 1 +ATOM 39666 O O . ILE V 4 274 ? 24.374 6.914 -11.028 1.00 41.21 ? 284 ILE d O 1 +ATOM 39667 C CB . ILE V 4 274 ? 24.411 4.400 -8.824 1.00 50.89 ? 284 ILE d CB 1 +ATOM 39668 C CG1 . ILE V 4 274 ? 25.434 3.746 -7.884 1.00 47.24 ? 284 ILE d CG1 1 +ATOM 39669 C CG2 . ILE V 4 274 ? 24.515 3.813 -10.255 1.00 48.36 ? 284 ILE d CG2 1 +ATOM 39670 C CD1 . ILE V 4 274 ? 25.224 2.257 -7.709 1.00 65.23 ? 284 ILE d CD1 1 +ATOM 39671 N N . GLY V 4 275 ? 22.550 6.873 -9.723 1.00 44.92 ? 285 GLY d N 1 +ATOM 39672 C CA . GLY V 4 275 ? 21.777 7.577 -10.730 1.00 44.13 ? 285 GLY d CA 1 +ATOM 39673 C C . GLY V 4 275 ? 22.319 8.965 -11.015 1.00 47.02 ? 285 GLY d C 1 +ATOM 39674 O O . GLY V 4 275 ? 22.368 9.392 -12.171 1.00 47.64 ? 285 GLY d O 1 +ATOM 39675 N N . VAL V 4 276 ? 22.749 9.682 -9.966 1.00 46.47 ? 286 VAL d N 1 +ATOM 39676 C CA . VAL V 4 276 ? 23.270 11.034 -10.147 1.00 47.15 ? 286 VAL d CA 1 +ATOM 39677 C C . VAL V 4 276 ? 24.578 11.010 -10.935 1.00 42.38 ? 286 VAL d C 1 +ATOM 39678 O O . VAL V 4 276 ? 24.839 11.913 -11.735 1.00 45.62 ? 286 VAL d O 1 +ATOM 39679 C CB . VAL V 4 276 ? 23.411 11.740 -8.771 1.00 53.54 ? 286 VAL d CB 1 +ATOM 39680 C CG1 . VAL V 4 276 ? 24.353 12.945 -8.847 1.00 47.18 ? 286 VAL d CG1 1 +ATOM 39681 C CG2 . VAL V 4 276 ? 22.046 12.216 -8.302 1.00 44.43 ? 286 VAL d CG2 1 +ATOM 39682 N N . VAL V 4 277 ? 25.404 9.978 -10.745 1.00 47.58 ? 287 VAL d N 1 +ATOM 39683 C CA . VAL V 4 277 ? 26.598 9.807 -11.575 1.00 49.35 ? 287 VAL d CA 1 +ATOM 39684 C C . VAL V 4 277 ? 26.222 9.733 -13.046 1.00 53.63 ? 287 VAL d C 1 +ATOM 39685 O O . VAL V 4 277 ? 26.906 10.307 -13.914 1.00 48.76 ? 287 VAL d O 1 +ATOM 39686 C CB . VAL V 4 277 ? 27.392 8.557 -11.150 1.00 49.14 ? 287 VAL d CB 1 +ATOM 39687 C CG1 . VAL V 4 277 ? 28.562 8.303 -12.137 1.00 48.42 ? 287 VAL d CG1 1 +ATOM 39688 C CG2 . VAL V 4 277 ? 27.876 8.693 -9.696 1.00 50.29 ? 287 VAL d CG2 1 +ATOM 39689 N N . GLY V 4 278 ? 25.145 9.009 -13.358 1.00 49.47 ? 288 GLY d N 1 +ATOM 39690 C CA . GLY V 4 278 ? 24.677 8.983 -14.733 1.00 40.73 ? 288 GLY d CA 1 +ATOM 39691 C C . GLY V 4 278 ? 24.267 10.354 -15.219 1.00 44.83 ? 288 GLY d C 1 +ATOM 39692 O O . GLY V 4 278 ? 24.555 10.736 -16.362 1.00 47.37 ? 288 GLY d O 1 +ATOM 39693 N N . LEU V 4 279 ? 23.587 11.119 -14.360 1.00 45.94 ? 289 LEU d N 1 +ATOM 39694 C CA . LEU V 4 279 ? 23.158 12.443 -14.772 1.00 44.29 ? 289 LEU d CA 1 +ATOM 39695 C C . LEU V 4 279 ? 24.334 13.399 -14.959 1.00 49.51 ? 289 LEU d C 1 +ATOM 39696 O O . LEU V 4 279 ? 24.188 14.382 -15.686 1.00 45.74 ? 289 LEU d O 1 +ATOM 39697 C CB . LEU V 4 279 ? 22.165 13.024 -13.775 1.00 44.53 ? 289 LEU d CB 1 +ATOM 39698 C CG . LEU V 4 279 ? 20.849 12.273 -13.570 1.00 52.63 ? 289 LEU d CG 1 +ATOM 39699 C CD1 . LEU V 4 279 ? 19.887 13.066 -12.677 1.00 46.31 ? 289 LEU d CD1 1 +ATOM 39700 C CD2 . LEU V 4 279 ? 20.194 11.906 -14.875 1.00 44.15 ? 289 LEU d CD2 1 +ATOM 39701 N N . ALA V 4 280 ? 25.487 13.133 -14.328 1.00 47.83 ? 290 ALA d N 1 +ATOM 39702 C CA . ALA V 4 280 ? 26.686 13.925 -14.601 1.00 52.05 ? 290 ALA d CA 1 +ATOM 39703 C C . ALA V 4 280 ? 26.958 13.992 -16.093 1.00 57.31 ? 290 ALA d C 1 +ATOM 39704 O O . ALA V 4 280 ? 27.455 15.009 -16.605 1.00 49.60 ? 290 ALA d O 1 +ATOM 39705 C CB . ALA V 4 280 ? 27.903 13.321 -13.889 1.00 42.71 ? 290 ALA d CB 1 +ATOM 39706 N N . LEU V 4 281 ? 26.631 12.912 -16.795 1.00 47.83 ? 291 LEU d N 1 +ATOM 39707 C CA . LEU V 4 281 ? 26.842 12.746 -18.224 1.00 51.66 ? 291 LEU d CA 1 +ATOM 39708 C C . LEU V 4 281 ? 25.578 12.982 -19.052 1.00 48.57 ? 291 LEU d C 1 +ATOM 39709 O O . LEU V 4 281 ? 25.562 12.645 -20.244 1.00 47.75 ? 291 LEU d O 1 +ATOM 39710 C CB . LEU V 4 281 ? 27.362 11.339 -18.473 1.00 45.18 ? 291 LEU d CB 1 +ATOM 39711 C CG . LEU V 4 281 ? 28.494 10.951 -17.542 1.00 55.51 ? 291 LEU d CG 1 +ATOM 39712 C CD1 . LEU V 4 281 ? 28.959 9.556 -17.885 1.00 53.80 ? 291 LEU d CD1 1 +ATOM 39713 C CD2 . LEU V 4 281 ? 29.625 11.953 -17.685 1.00 56.04 ? 291 LEU d CD2 1 +ATOM 39714 N N . ASN V 4 282 ? 24.517 13.524 -18.440 1.00 49.40 ? 292 ASN d N 1 +ATOM 39715 C CA . ASN V 4 282 ? 23.168 13.561 -19.018 1.00 51.06 ? 292 ASN d CA 1 +ATOM 39716 C C . ASN V 4 282 ? 22.662 12.172 -19.398 1.00 48.91 ? 292 ASN d C 1 +ATOM 39717 O O . ASN V 4 282 ? 21.762 12.044 -20.230 1.00 49.87 ? 292 ASN d O 1 +ATOM 39718 C CB . ASN V 4 282 ? 23.084 14.475 -20.249 1.00 42.94 ? 292 ASN d CB 1 +ATOM 39719 C CG . ASN V 4 282 ? 23.260 15.941 -19.914 1.00 51.78 ? 292 ASN d CG 1 +ATOM 39720 O OD1 . ASN V 4 282 ? 23.091 16.351 -18.771 1.00 49.42 ? 292 ASN d OD1 1 +ATOM 39721 N ND2 . ASN V 4 282 ? 23.593 16.745 -20.929 1.00 47.76 ? 292 ASN d ND2 1 +ATOM 39722 N N . LEU V 4 283 ? 23.248 11.119 -18.837 1.00 48.29 ? 293 LEU d N 1 +ATOM 39723 C CA . LEU V 4 283 ? 22.771 9.758 -19.093 1.00 52.22 ? 293 LEU d CA 1 +ATOM 39724 C C . LEU V 4 283 ? 21.493 9.562 -18.281 1.00 47.04 ? 293 LEU d C 1 +ATOM 39725 O O . LEU V 4 283 ? 21.486 8.967 -17.207 1.00 50.95 ? 293 LEU d O 1 +ATOM 39726 C CB . LEU V 4 283 ? 23.848 8.739 -18.737 1.00 47.46 ? 293 LEU d CB 1 +ATOM 39727 C CG . LEU V 4 283 ? 24.004 7.493 -19.600 1.00 64.08 ? 293 LEU d CG 1 +ATOM 39728 C CD1 . LEU V 4 283 ? 23.980 7.801 -21.093 1.00 47.62 ? 293 LEU d CD1 1 +ATOM 39729 C CD2 . LEU V 4 283 ? 25.285 6.776 -19.227 1.00 62.23 ? 293 LEU d CD2 1 +ATOM 39730 N N . ARG V 4 284 ? 20.400 10.108 -18.800 1.00 48.13 ? 294 ARG d N 1 +ATOM 39731 C CA . ARG V 4 284 ? 19.128 10.187 -18.097 1.00 38.64 ? 294 ARG d CA 1 +ATOM 39732 C C . ARG V 4 284 ? 18.232 9.006 -18.416 1.00 52.90 ? 294 ARG d C 1 +ATOM 39733 O O . ARG V 4 284 ? 18.362 8.348 -19.455 1.00 46.41 ? 294 ARG d O 1 +ATOM 39734 C CB . ARG V 4 284 ? 18.349 11.436 -18.526 1.00 46.44 ? 294 ARG d CB 1 +ATOM 39735 C CG . ARG V 4 284 ? 19.050 12.756 -18.353 1.00 52.04 ? 294 ARG d CG 1 +ATOM 39736 C CD . ARG V 4 284 ? 18.556 13.775 -19.404 1.00 51.40 ? 294 ARG d CD 1 +ATOM 39737 N NE . ARG V 4 284 ? 19.223 15.044 -19.165 1.00 55.25 ? 294 ARG d NE 1 +ATOM 39738 C CZ . ARG V 4 284 ? 19.274 16.056 -20.015 1.00 58.02 ? 294 ARG d CZ 1 +ATOM 39739 N NH1 . ARG V 4 284 ? 18.687 15.994 -21.206 1.00 52.33 ? 294 ARG d NH1 1 +ATOM 39740 N NH2 . ARG V 4 284 ? 19.931 17.155 -19.658 1.00 50.73 ? 294 ARG d NH2 1 +ATOM 39741 N N A SER V 4 285 ? 17.302 8.762 -17.499 0.50 45.83 ? 295 SER d N 1 +ATOM 39742 N N B SER V 4 285 ? 17.267 8.752 -17.537 0.50 45.88 ? 295 SER d N 1 +ATOM 39743 C CA A SER V 4 285 ? 16.079 8.035 -17.829 0.50 49.53 ? 295 SER d CA 1 +ATOM 39744 C CA B SER V 4 285 ? 16.097 7.980 -17.954 0.50 49.43 ? 295 SER d CA 1 +ATOM 39745 C C A SER V 4 285 ? 15.038 9.094 -18.167 0.50 45.63 ? 295 SER d C 1 +ATOM 39746 C C B SER V 4 285 ? 14.972 8.967 -18.238 0.50 45.63 ? 295 SER d C 1 +ATOM 39747 O O A SER V 4 285 ? 14.191 9.462 -17.351 0.50 49.26 ? 295 SER d O 1 +ATOM 39748 O O B SER V 4 285 ? 14.043 9.166 -17.456 0.50 51.16 ? 295 SER d O 1 +ATOM 39749 C CB A SER V 4 285 ? 15.619 7.151 -16.674 0.50 48.12 ? 295 SER d CB 1 +ATOM 39750 C CB B SER V 4 285 ? 15.703 6.948 -16.905 0.50 46.25 ? 295 SER d CB 1 +ATOM 39751 O OG A SER V 4 285 ? 16.591 6.191 -16.315 0.50 59.52 ? 295 SER d OG 1 +ATOM 39752 O OG B SER V 4 285 ? 15.188 7.595 -15.763 0.50 52.26 ? 295 SER d OG 1 +ATOM 39753 N N . TYR V 4 286 ? 15.111 9.619 -19.386 1.00 42.31 ? 296 TYR d N 1 +ATOM 39754 C CA . TYR V 4 286 ? 14.203 10.706 -19.733 1.00 48.28 ? 296 TYR d CA 1 +ATOM 39755 C C . TYR V 4 286 ? 12.916 10.189 -20.371 1.00 47.03 ? 296 TYR d C 1 +ATOM 39756 O O . TYR V 4 286 ? 11.827 10.686 -20.060 1.00 46.15 ? 296 TYR d O 1 +ATOM 39757 C CB . TYR V 4 286 ? 14.890 11.719 -20.672 1.00 46.41 ? 296 TYR d CB 1 +ATOM 39758 C CG . TYR V 4 286 ? 14.059 12.964 -20.816 1.00 44.27 ? 296 TYR d CG 1 +ATOM 39759 C CD1 . TYR V 4 286 ? 14.201 14.018 -19.919 1.00 42.22 ? 296 TYR d CD1 1 +ATOM 39760 C CD2 . TYR V 4 286 ? 13.089 13.068 -21.814 1.00 43.76 ? 296 TYR d CD2 1 +ATOM 39761 C CE1 . TYR V 4 286 ? 13.398 15.153 -20.007 1.00 46.16 ? 296 TYR d CE1 1 +ATOM 39762 C CE2 . TYR V 4 286 ? 12.284 14.195 -21.909 1.00 49.66 ? 296 TYR d CE2 1 +ATOM 39763 C CZ . TYR V 4 286 ? 12.437 15.233 -21.005 1.00 45.48 ? 296 TYR d CZ 1 +ATOM 39764 O OH . TYR V 4 286 ? 11.635 16.349 -21.105 1.00 48.22 ? 296 TYR d OH 1 +ATOM 39765 N N . ASP V 4 287 ? 13.021 9.222 -21.275 1.00 41.90 ? 297 ASP d N 1 +ATOM 39766 C CA . ASP V 4 287 ? 11.905 8.850 -22.129 1.00 44.11 ? 297 ASP d CA 1 +ATOM 39767 C C . ASP V 4 287 ? 11.672 7.340 -22.111 1.00 49.46 ? 297 ASP d C 1 +ATOM 39768 O O . ASP V 4 287 ? 12.538 6.558 -21.707 1.00 43.35 ? 297 ASP d O 1 +ATOM 39769 C CB . ASP V 4 287 ? 12.130 9.338 -23.575 1.00 42.99 ? 297 ASP d CB 1 +ATOM 39770 C CG . ASP V 4 287 ? 13.544 9.061 -24.096 1.00 49.74 ? 297 ASP d CG 1 +ATOM 39771 O OD1 . ASP V 4 287 ? 14.333 8.321 -23.486 1.00 47.97 ? 297 ASP d OD1 1 +ATOM 39772 O OD2 . ASP V 4 287 ? 13.893 9.620 -25.137 1.00 54.67 ? 297 ASP d OD2 1 +ATOM 39773 N N . PHE V 4 288 ? 10.467 6.945 -22.532 1.00 40.06 ? 298 PHE d N 1 +ATOM 39774 C CA . PHE V 4 288 ? 10.191 5.587 -23.000 1.00 44.05 ? 298 PHE d CA 1 +ATOM 39775 C C . PHE V 4 288 ? 9.966 5.660 -24.499 1.00 43.60 ? 298 PHE d C 1 +ATOM 39776 O O . PHE V 4 288 ? 9.007 6.293 -24.956 1.00 49.73 ? 298 PHE d O 1 +ATOM 39777 C CB . PHE V 4 288 ? 8.974 4.962 -22.304 1.00 45.02 ? 298 PHE d CB 1 +ATOM 39778 C CG . PHE V 4 288 ? 9.155 4.727 -20.814 1.00 48.08 ? 298 PHE d CG 1 +ATOM 39779 C CD1 . PHE V 4 288 ? 9.995 3.722 -20.350 1.00 40.90 ? 298 PHE d CD1 1 +ATOM 39780 C CD2 . PHE V 4 288 ? 8.460 5.499 -19.893 1.00 41.43 ? 298 PHE d CD2 1 +ATOM 39781 C CE1 . PHE V 4 288 ? 10.157 3.496 -18.977 1.00 42.18 ? 298 PHE d CE1 1 +ATOM 39782 C CE2 . PHE V 4 288 ? 8.612 5.271 -18.504 1.00 44.00 ? 298 PHE d CE2 1 +ATOM 39783 C CZ . PHE V 4 288 ? 9.459 4.260 -18.062 1.00 41.24 ? 298 PHE d CZ 1 +ATOM 39784 N N . ILE V 4 289 ? 10.858 5.034 -25.265 1.00 49.46 ? 299 ILE d N 1 +ATOM 39785 C CA . ILE V 4 289 ? 10.814 5.189 -26.717 1.00 44.33 ? 299 ILE d CA 1 +ATOM 39786 C C . ILE V 4 289 ? 9.478 4.699 -27.273 1.00 43.96 ? 299 ILE d C 1 +ATOM 39787 O O . ILE V 4 289 ? 8.880 5.343 -28.142 1.00 44.56 ? 299 ILE d O 1 +ATOM 39788 C CB . ILE V 4 289 ? 12.016 4.474 -27.354 1.00 47.97 ? 299 ILE d CB 1 +ATOM 39789 C CG1 . ILE V 4 289 ? 13.313 5.186 -26.940 1.00 44.14 ? 299 ILE d CG1 1 +ATOM 39790 C CG2 . ILE V 4 289 ? 11.876 4.425 -28.871 1.00 42.63 ? 299 ILE d CG2 1 +ATOM 39791 C CD1 . ILE V 4 289 ? 14.546 4.633 -27.615 1.00 49.67 ? 299 ILE d CD1 1 +ATOM 39792 N N . SER V 4 290 ? 8.956 3.599 -26.733 1.00 41.07 ? 300 SER d N 1 +ATOM 39793 C CA . SER V 4 290 ? 7.717 3.030 -27.259 1.00 48.71 ? 300 SER d CA 1 +ATOM 39794 C C . SER V 4 290 ? 6.540 3.983 -27.074 1.00 43.44 ? 300 SER d C 1 +ATOM 39795 O O . SER V 4 290 ? 5.668 4.069 -27.941 1.00 48.29 ? 300 SER d O 1 +ATOM 39796 C CB . SER V 4 290 ? 7.421 1.670 -26.597 1.00 42.70 ? 300 SER d CB 1 +ATOM 39797 O OG . SER V 4 290 ? 7.133 1.821 -25.207 1.00 44.35 ? 300 SER d OG 1 +ATOM 39798 N N . GLN V 4 291 ? 6.480 4.685 -25.939 1.00 48.98 ? 301 GLN d N 1 +ATOM 39799 C CA . GLN V 4 291 ? 5.447 5.708 -25.753 1.00 53.28 ? 301 GLN d CA 1 +ATOM 39800 C C . GLN V 4 291 ? 5.575 6.830 -26.777 1.00 53.77 ? 301 GLN d C 1 +ATOM 39801 O O . GLN V 4 291 ? 4.568 7.367 -27.253 1.00 48.22 ? 301 GLN d O 1 +ATOM 39802 C CB . GLN V 4 291 ? 5.534 6.299 -24.352 1.00 48.69 ? 301 GLN d CB 1 +ATOM 39803 C CG . GLN V 4 291 ? 5.240 5.321 -23.226 1.00 53.07 ? 301 GLN d CG 1 +ATOM 39804 C CD . GLN V 4 291 ? 3.832 5.461 -22.724 1.00 56.77 ? 301 GLN d CD 1 +ATOM 39805 O OE1 . GLN V 4 291 ? 3.339 6.585 -22.497 1.00 55.17 ? 301 GLN d OE1 1 +ATOM 39806 N NE2 . GLN V 4 291 ? 3.162 4.333 -22.547 1.00 61.30 ? 301 GLN d NE2 1 +ATOM 39807 N N . GLU V 4 292 ? 6.808 7.236 -27.087 1.00 42.51 ? 302 GLU d N 1 +ATOM 39808 C CA . GLU V 4 292 ? 6.990 8.378 -27.971 1.00 44.18 ? 302 GLU d CA 1 +ATOM 39809 C C . GLU V 4 292 ? 6.631 8.029 -29.409 1.00 46.12 ? 302 GLU d C 1 +ATOM 39810 O O . GLU V 4 292 ? 6.048 8.853 -30.123 1.00 43.14 ? 302 GLU d O 1 +ATOM 39811 C CB . GLU V 4 292 ? 8.425 8.881 -27.900 1.00 42.43 ? 302 GLU d CB 1 +ATOM 39812 C CG . GLU V 4 292 ? 8.838 9.364 -26.537 1.00 43.78 ? 302 GLU d CG 1 +ATOM 39813 C CD . GLU V 4 292 ? 8.096 10.610 -26.079 1.00 49.27 ? 302 GLU d CD 1 +ATOM 39814 O OE1 . GLU V 4 292 ? 7.191 11.145 -26.757 1.00 46.33 ? 302 GLU d OE1 1 +ATOM 39815 O OE2 . GLU V 4 292 ? 8.435 11.066 -25.004 1.00 50.75 ? 302 GLU d OE2 1 +ATOM 39816 N N . ILE V 4 293 ? 6.973 6.815 -29.854 1.00 48.15 ? 303 ILE d N 1 +ATOM 39817 C CA . ILE V 4 293 ? 6.581 6.393 -31.194 1.00 46.77 ? 303 ILE d CA 1 +ATOM 39818 C C . ILE V 4 293 ? 5.062 6.353 -31.316 1.00 48.00 ? 303 ILE d C 1 +ATOM 39819 O O . ILE V 4 293 ? 4.495 6.861 -32.285 1.00 51.87 ? 303 ILE d O 1 +ATOM 39820 C CB . ILE V 4 293 ? 7.229 5.046 -31.539 1.00 49.73 ? 303 ILE d CB 1 +ATOM 39821 C CG1 . ILE V 4 293 ? 8.745 5.211 -31.613 1.00 48.43 ? 303 ILE d CG1 1 +ATOM 39822 C CG2 . ILE V 4 293 ? 6.679 4.492 -32.868 1.00 43.73 ? 303 ILE d CG2 1 +ATOM 39823 C CD1 . ILE V 4 293 ? 9.481 3.898 -31.762 1.00 55.49 ? 303 ILE d CD1 1 +ATOM 39824 N N . ARG V 4 294 ? 4.375 5.813 -30.311 1.00 44.96 ? 304 ARG d N 1 +ATOM 39825 C CA . ARG V 4 294 ? 2.919 5.763 -30.376 1.00 47.07 ? 304 ARG d CA 1 +ATOM 39826 C C . ARG V 4 294 ? 2.309 7.167 -30.340 1.00 60.23 ? 304 ARG d C 1 +ATOM 39827 O O . ARG V 4 294 ? 1.410 7.476 -31.135 1.00 49.00 ? 304 ARG d O 1 +ATOM 39828 C CB . ARG V 4 294 ? 2.383 4.903 -29.229 1.00 51.82 ? 304 ARG d CB 1 +ATOM 39829 C CG . ARG V 4 294 ? 0.875 4.953 -29.024 1.00 46.19 ? 304 ARG d CG 1 +ATOM 39830 C CD . ARG V 4 294 ? 0.154 4.176 -30.090 1.00 55.79 ? 304 ARG d CD 1 +ATOM 39831 N NE . ARG V 4 294 ? -1.289 4.151 -29.877 1.00 64.75 ? 304 ARG d NE 1 +ATOM 39832 C CZ . ARG V 4 294 ? -1.897 3.427 -28.945 1.00 68.07 ? 304 ARG d CZ 1 +ATOM 39833 N NH1 . ARG V 4 294 ? -1.213 2.674 -28.098 1.00 61.90 ? 304 ARG d NH1 1 +ATOM 39834 N NH2 . ARG V 4 294 ? -3.226 3.474 -28.853 1.00 64.61 ? 304 ARG d NH2 1 +ATOM 39835 N N . ALA V 4 295 ? 2.795 8.041 -29.441 1.00 45.86 ? 305 ALA d N 1 +ATOM 39836 C CA . ALA V 4 295 ? 2.208 9.377 -29.323 1.00 50.28 ? 305 ALA d CA 1 +ATOM 39837 C C . ALA V 4 295 ? 2.495 10.234 -30.555 1.00 50.66 ? 305 ALA d C 1 +ATOM 39838 O O . ALA V 4 295 ? 1.642 11.025 -30.976 1.00 48.76 ? 305 ALA d O 1 +ATOM 39839 C CB . ALA V 4 295 ? 2.712 10.069 -28.045 1.00 43.89 ? 305 ALA d CB 1 +ATOM 39840 N N . ALA V 4 296 ? 3.682 10.097 -31.155 1.00 47.49 ? 306 ALA d N 1 +ATOM 39841 C CA . ALA V 4 296 ? 3.966 10.875 -32.364 1.00 49.66 ? 306 ALA d CA 1 +ATOM 39842 C C . ALA V 4 296 ? 2.964 10.558 -33.480 1.00 47.16 ? 306 ALA d C 1 +ATOM 39843 O O . ALA V 4 296 ? 2.505 11.460 -34.186 1.00 51.18 ? 306 ALA d O 1 +ATOM 39844 C CB . ALA V 4 296 ? 5.404 10.625 -32.842 1.00 43.86 ? 306 ALA d CB 1 +ATOM 39845 N N . GLU V 4 297 ? 2.571 9.297 -33.611 1.00 45.82 ? 307 GLU d N 1 +ATOM 39846 C CA . GLU V 4 297 ? 1.689 8.849 -34.685 1.00 57.69 ? 307 GLU d CA 1 +ATOM 39847 C C . GLU V 4 297 ? 0.209 8.914 -34.337 1.00 51.03 ? 307 GLU d C 1 +ATOM 39848 O O . GLU V 4 297 ? -0.622 8.869 -35.247 1.00 51.46 ? 307 GLU d O 1 +ATOM 39849 C CB . GLU V 4 297 ? 1.992 7.395 -35.067 1.00 49.97 ? 307 GLU d CB 1 +ATOM 39850 C CG . GLU V 4 297 ? 3.449 7.017 -35.278 1.00 72.72 ? 307 GLU d CG 1 +ATOM 39851 C CD . GLU V 4 297 ? 3.602 5.500 -35.504 1.00 88.72 ? 307 GLU d CD 1 +ATOM 39852 O OE1 . GLU V 4 297 ? 2.769 4.735 -34.965 1.00 80.29 ? 307 GLU d OE1 1 +ATOM 39853 O OE2 . GLU V 4 297 ? 4.539 5.075 -36.219 1.00 83.31 ? 307 GLU d OE2 1 +ATOM 39854 N N . ASP V 4 298 ? -0.144 8.955 -33.053 1.00 45.96 ? 308 ASP d N 1 +ATOM 39855 C CA . ASP V 4 298 ? -1.527 8.818 -32.607 1.00 45.06 ? 308 ASP d CA 1 +ATOM 39856 C C . ASP V 4 298 ? -1.847 9.983 -31.679 1.00 53.38 ? 308 ASP d C 1 +ATOM 39857 O O . ASP V 4 298 ? -1.623 9.911 -30.455 1.00 52.44 ? 308 ASP d O 1 +ATOM 39858 C CB . ASP V 4 298 ? -1.735 7.462 -31.928 1.00 47.32 ? 308 ASP d CB 1 +ATOM 39859 C CG . ASP V 4 298 ? -3.134 7.282 -31.383 1.00 47.73 ? 308 ASP d CG 1 +ATOM 39860 O OD1 . ASP V 4 298 ? -3.992 8.169 -31.562 1.00 56.65 ? 308 ASP d OD1 1 +ATOM 39861 O OD2 . ASP V 4 298 ? -3.384 6.228 -30.773 1.00 55.49 ? 308 ASP d OD2 1 +ATOM 39862 N N . PRO V 4 299 ? -2.394 11.077 -32.220 1.00 56.90 ? 309 PRO d N 1 +ATOM 39863 C CA . PRO V 4 299 ? -2.680 12.248 -31.378 1.00 50.21 ? 309 PRO d CA 1 +ATOM 39864 C C . PRO V 4 299 ? -3.817 12.031 -30.391 1.00 47.95 ? 309 PRO d C 1 +ATOM 39865 O O . PRO V 4 299 ? -4.179 12.961 -29.681 1.00 49.79 ? 309 PRO d O 1 +ATOM 39866 C CB . PRO V 4 299 ? -3.030 13.350 -32.404 1.00 48.81 ? 309 PRO d CB 1 +ATOM 39867 C CG . PRO V 4 299 ? -2.559 12.818 -33.731 1.00 51.38 ? 309 PRO d CG 1 +ATOM 39868 C CD . PRO V 4 299 ? -2.736 11.324 -33.632 1.00 50.23 ? 309 PRO d CD 1 +ATOM 39869 N N . GLU V 4 300 ? -4.416 10.851 -30.318 1.00 49.79 ? 310 GLU d N 1 +ATOM 39870 C CA . GLU V 4 300 ? -5.363 10.586 -29.250 1.00 56.93 ? 310 GLU d CA 1 +ATOM 39871 C C . GLU V 4 300 ? -4.757 9.792 -28.099 1.00 55.11 ? 310 GLU d C 1 +ATOM 39872 O O . GLU V 4 300 ? -5.436 9.589 -27.097 1.00 55.13 ? 310 GLU d O 1 +ATOM 39873 C CB . GLU V 4 300 ? -6.586 9.856 -29.796 1.00 52.45 ? 310 GLU d CB 1 +ATOM 39874 C CG . GLU V 4 300 ? -7.406 10.717 -30.714 1.00 72.71 ? 310 GLU d CG 1 +ATOM 39875 C CD . GLU V 4 300 ? -8.652 10.015 -31.180 1.00 72.68 ? 310 GLU d CD 1 +ATOM 39876 O OE1 . GLU V 4 300 ? -8.539 9.068 -31.998 1.00 95.96 ? 310 GLU d OE1 1 +ATOM 39877 O OE2 . GLU V 4 300 ? -9.741 10.391 -30.698 1.00 81.90 ? 310 GLU d OE2 1 +ATOM 39878 N N . PHE V 4 301 ? -3.503 9.353 -28.213 1.00 51.44 ? 311 PHE d N 1 +ATOM 39879 C CA . PHE V 4 301 ? -2.845 8.593 -27.154 1.00 49.58 ? 311 PHE d CA 1 +ATOM 39880 C C . PHE V 4 301 ? -2.272 9.535 -26.100 1.00 50.92 ? 311 PHE d C 1 +ATOM 39881 O O . PHE V 4 301 ? -1.392 10.355 -26.410 1.00 49.79 ? 311 PHE d O 1 +ATOM 39882 C CB . PHE V 4 301 ? -1.724 7.748 -27.738 1.00 44.95 ? 311 PHE d CB 1 +ATOM 39883 C CG . PHE V 4 301 ? -1.030 6.883 -26.727 1.00 51.20 ? 311 PHE d CG 1 +ATOM 39884 C CD1 . PHE V 4 301 ? -1.717 5.866 -26.089 1.00 47.24 ? 311 PHE d CD1 1 +ATOM 39885 C CD2 . PHE V 4 301 ? 0.308 7.084 -26.421 1.00 44.93 ? 311 PHE d CD2 1 +ATOM 39886 C CE1 . PHE V 4 301 ? -1.082 5.047 -25.170 1.00 50.30 ? 311 PHE d CE1 1 +ATOM 39887 C CE2 . PHE V 4 301 ? 0.943 6.281 -25.517 1.00 52.89 ? 311 PHE d CE2 1 +ATOM 39888 C CZ . PHE V 4 301 ? 0.247 5.243 -24.891 1.00 45.93 ? 311 PHE d CZ 1 +ATOM 39889 N N A GLU V 4 302 ? -2.762 9.420 -24.859 0.40 45.57 ? 312 GLU d N 1 +ATOM 39890 N N B GLU V 4 302 ? -2.754 9.434 -24.867 0.60 45.57 ? 312 GLU d N 1 +ATOM 39891 C CA A GLU V 4 302 ? -2.250 10.265 -23.790 0.40 48.73 ? 312 GLU d CA 1 +ATOM 39892 C CA B GLU V 4 302 ? -2.241 10.270 -23.791 0.60 48.77 ? 312 GLU d CA 1 +ATOM 39893 C C A GLU V 4 302 ? -2.104 9.464 -22.498 0.40 51.40 ? 312 GLU d C 1 +ATOM 39894 C C B GLU V 4 302 ? -2.075 9.446 -22.517 0.60 51.54 ? 312 GLU d C 1 +ATOM 39895 O O A GLU V 4 302 ? -2.992 8.679 -22.135 0.40 46.68 ? 312 GLU d O 1 +ATOM 39896 O O B GLU V 4 302 ? -2.942 8.634 -22.177 0.60 46.64 ? 312 GLU d O 1 +ATOM 39897 C CB A GLU V 4 302 ? -3.164 11.479 -23.573 0.40 46.11 ? 312 GLU d CB 1 +ATOM 39898 C CB B GLU V 4 302 ? -3.161 11.478 -23.530 0.60 46.15 ? 312 GLU d CB 1 +ATOM 39899 C CG A GLU V 4 302 ? -2.586 12.480 -22.582 0.40 46.72 ? 312 GLU d CG 1 +ATOM 39900 C CG B GLU V 4 302 ? -2.551 12.502 -22.549 0.60 46.64 ? 312 GLU d CG 1 +ATOM 39901 C CD A GLU V 4 302 ? -3.317 13.814 -22.596 0.40 50.60 ? 312 GLU d CD 1 +ATOM 39902 C CD B GLU V 4 302 ? -3.252 13.856 -22.578 0.60 50.68 ? 312 GLU d CD 1 +ATOM 39903 O OE1 A GLU V 4 302 ? -4.484 13.846 -23.024 0.40 52.93 ? 312 GLU d OE1 1 +ATOM 39904 O OE1 B GLU V 4 302 ? -4.412 13.907 -23.033 0.60 53.06 ? 312 GLU d OE1 1 +ATOM 39905 O OE2 A GLU V 4 302 ? -2.729 14.821 -22.161 0.40 49.68 ? 312 GLU d OE2 1 +ATOM 39906 O OE2 B GLU V 4 302 ? -2.645 14.866 -22.140 0.60 49.59 ? 312 GLU d OE2 1 +ATOM 39907 N N A THR V 4 303 ? -0.982 9.671 -21.798 0.40 48.22 ? 313 THR d N 1 +ATOM 39908 N N B THR V 4 303 ? -0.960 9.666 -21.812 0.60 48.31 ? 313 THR d N 1 +ATOM 39909 C CA A THR V 4 303 ? -0.715 9.007 -20.522 0.40 44.33 ? 313 THR d CA 1 +ATOM 39910 C CA B THR V 4 303 ? -0.683 9.006 -20.539 0.60 44.30 ? 313 THR d CA 1 +ATOM 39911 C C A THR V 4 303 ? -0.157 10.024 -19.535 0.40 50.31 ? 313 THR d C 1 +ATOM 39912 C C B THR V 4 303 ? -0.137 10.036 -19.559 0.60 50.53 ? 313 THR d C 1 +ATOM 39913 O O A THR V 4 303 ? 0.228 11.133 -19.904 0.40 47.84 ? 313 THR d O 1 +ATOM 39914 O O B THR V 4 303 ? 0.210 11.161 -19.930 0.60 48.08 ? 313 THR d O 1 +ATOM 39915 C CB A THR V 4 303 ? 0.286 7.847 -20.669 0.40 48.32 ? 313 THR d CB 1 +ATOM 39916 C CB B THR V 4 303 ? 0.330 7.854 -20.684 0.60 48.45 ? 313 THR d CB 1 +ATOM 39917 O OG1 A THR V 4 303 ? 1.578 8.365 -21.001 0.40 47.35 ? 313 THR d OG1 1 +ATOM 39918 O OG1 B THR V 4 303 ? 1.614 8.382 -21.045 0.60 47.45 ? 313 THR d OG1 1 +ATOM 39919 C CG2 A THR V 4 303 ? -0.150 6.838 -21.753 0.40 40.62 ? 313 THR d CG2 1 +ATOM 39920 C CG2 B THR V 4 303 ? -0.115 6.825 -21.737 0.60 40.49 ? 313 THR d CG2 1 +ATOM 39921 N N A PHE V 4 304 ? -0.070 9.637 -18.263 0.40 43.91 ? 314 PHE d N 1 +ATOM 39922 N N B PHE V 4 304 ? -0.042 9.649 -18.286 0.60 43.87 ? 314 PHE d N 1 +ATOM 39923 C CA A PHE V 4 304 ? 0.587 10.534 -17.324 0.40 45.25 ? 314 PHE d CA 1 +ATOM 39924 C CA B PHE V 4 304 ? 0.617 10.540 -17.343 0.60 45.28 ? 314 PHE d CA 1 +ATOM 39925 C C A PHE V 4 304 ? 2.043 10.773 -17.698 0.40 43.81 ? 314 PHE d C 1 +ATOM 39926 C C B PHE V 4 304 ? 2.075 10.758 -17.715 0.60 43.79 ? 314 PHE d C 1 +ATOM 39927 O O A PHE V 4 304 ? 2.603 11.805 -17.318 0.40 49.08 ? 314 PHE d O 1 +ATOM 39928 O O B PHE V 4 304 ? 2.649 11.796 -17.361 0.60 49.26 ? 314 PHE d O 1 +ATOM 39929 C CB A PHE V 4 304 ? 0.442 10.000 -15.886 0.40 42.06 ? 314 PHE d CB 1 +ATOM 39930 C CB B PHE V 4 304 ? 0.474 10.010 -15.911 0.60 42.01 ? 314 PHE d CB 1 +ATOM 39931 C CG A PHE V 4 304 ? -0.877 10.368 -15.266 0.40 49.28 ? 314 PHE d CG 1 +ATOM 39932 C CG B PHE V 4 304 ? -0.852 10.354 -15.291 0.60 49.48 ? 314 PHE d CG 1 +ATOM 39933 C CD1 A PHE V 4 304 ? -1.158 11.706 -14.968 0.40 41.57 ? 314 PHE d CD1 1 +ATOM 39934 C CD1 B PHE V 4 304 ? -1.145 11.666 -14.937 0.60 41.44 ? 314 PHE d CD1 1 +ATOM 39935 C CD2 A PHE V 4 304 ? -1.865 9.414 -15.063 0.40 42.71 ? 314 PHE d CD2 1 +ATOM 39936 C CD2 B PHE V 4 304 ? -1.825 9.381 -15.110 0.60 42.69 ? 314 PHE d CD2 1 +ATOM 39937 C CE1 A PHE V 4 304 ? -2.383 12.069 -14.431 0.40 48.33 ? 314 PHE d CE1 1 +ATOM 39938 C CE1 B PHE V 4 304 ? -2.378 11.999 -14.381 0.60 48.46 ? 314 PHE d CE1 1 +ATOM 39939 C CE2 A PHE V 4 304 ? -3.103 9.775 -14.526 0.40 42.01 ? 314 PHE d CE2 1 +ATOM 39940 C CE2 B PHE V 4 304 ? -3.062 9.706 -14.567 0.60 41.97 ? 314 PHE d CE2 1 +ATOM 39941 C CZ A PHE V 4 304 ? -3.359 11.106 -14.214 0.40 45.57 ? 314 PHE d CZ 1 +ATOM 39942 C CZ B PHE V 4 304 ? -3.341 11.010 -14.201 0.60 45.63 ? 314 PHE d CZ 1 +ATOM 39943 N N A TYR V 4 305 ? 2.654 9.856 -18.448 0.40 45.05 ? 315 TYR d N 1 +ATOM 39944 N N B TYR V 4 305 ? 2.665 9.827 -18.466 0.60 45.12 ? 315 TYR d N 1 +ATOM 39945 C CA A TYR V 4 305 ? 4.020 10.051 -18.908 0.40 42.64 ? 315 TYR d CA 1 +ATOM 39946 C CA B TYR V 4 305 ? 4.024 10.012 -18.948 0.60 42.64 ? 315 TYR d CA 1 +ATOM 39947 C C A TYR V 4 305 ? 4.117 11.233 -19.873 0.40 43.30 ? 315 TYR d C 1 +ATOM 39948 C C B TYR V 4 305 ? 4.117 11.204 -19.898 0.60 43.19 ? 315 TYR d C 1 +ATOM 39949 O O A TYR V 4 305 ? 4.961 12.117 -19.690 0.40 50.16 ? 315 TYR d O 1 +ATOM 39950 O O B TYR V 4 305 ? 4.965 12.085 -19.709 0.60 50.47 ? 315 TYR d O 1 +ATOM 39951 C CB A TYR V 4 305 ? 4.541 8.758 -19.552 0.40 44.01 ? 315 TYR d CB 1 +ATOM 39952 C CB B TYR V 4 305 ? 4.520 8.727 -19.619 0.60 43.96 ? 315 TYR d CB 1 +ATOM 39953 C CG A TYR V 4 305 ? 5.749 8.959 -20.456 0.40 46.82 ? 315 TYR d CG 1 +ATOM 39954 C CG B TYR V 4 305 ? 5.739 8.936 -20.488 0.60 46.90 ? 315 TYR d CG 1 +ATOM 39955 C CD1 A TYR V 4 305 ? 7.038 9.063 -19.921 0.40 44.49 ? 315 TYR d CD1 1 +ATOM 39956 C CD1 B TYR V 4 305 ? 7.012 9.023 -19.931 0.60 44.58 ? 315 TYR d CD1 1 +ATOM 39957 C CD2 A TYR V 4 305 ? 5.597 9.083 -21.838 0.40 41.52 ? 315 TYR d CD2 1 +ATOM 39958 C CD2 B TYR V 4 305 ? 5.614 9.064 -21.869 0.60 41.43 ? 315 TYR d CD2 1 +ATOM 39959 C CE1 A TYR V 4 305 ? 8.142 9.267 -20.743 0.40 46.43 ? 315 TYR d CE1 1 +ATOM 39960 C CE1 B TYR V 4 305 ? 8.130 9.219 -20.733 0.60 46.49 ? 315 TYR d CE1 1 +ATOM 39961 C CE2 A TYR V 4 305 ? 6.688 9.281 -22.666 0.40 43.15 ? 315 TYR d CE2 1 +ATOM 39962 C CE2 B TYR V 4 305 ? 6.713 9.266 -22.675 0.60 43.13 ? 315 TYR d CE2 1 +ATOM 39963 C CZ A TYR V 4 305 ? 7.956 9.367 -22.123 0.40 45.57 ? 315 TYR d CZ 1 +ATOM 39964 C CZ B TYR V 4 305 ? 7.968 9.339 -22.115 0.60 45.57 ? 315 TYR d CZ 1 +ATOM 39965 O OH A TYR V 4 305 ? 9.021 9.573 -22.968 0.40 42.82 ? 315 TYR d OH 1 +ATOM 39966 O OH B TYR V 4 305 ? 9.051 9.543 -22.938 0.60 42.73 ? 315 TYR d OH 1 +ATOM 39967 N N A THR V 4 306 ? 3.264 11.273 -20.911 0.40 44.31 ? 316 THR d N 1 +ATOM 39968 N N B THR V 4 306 ? 3.259 11.257 -20.934 0.60 44.34 ? 316 THR d N 1 +ATOM 39969 C CA A THR V 4 306 ? 3.326 12.399 -21.847 0.40 41.78 ? 316 THR d CA 1 +ATOM 39970 C CA B THR V 4 306 ? 3.326 12.397 -21.852 0.60 41.73 ? 316 THR d CA 1 +ATOM 39971 C C A THR V 4 306 ? 2.920 13.710 -21.177 0.40 43.62 ? 316 THR d C 1 +ATOM 39972 C C B THR V 4 306 ? 2.940 13.697 -21.157 0.60 43.61 ? 316 THR d C 1 +ATOM 39973 O O A THR V 4 306 ? 3.472 14.767 -21.505 0.40 42.68 ? 316 THR d O 1 +ATOM 39974 O O B THR V 4 306 ? 3.512 14.753 -21.454 0.60 42.55 ? 316 THR d O 1 +ATOM 39975 C CB A THR V 4 306 ? 2.451 12.166 -23.093 0.40 43.91 ? 316 THR d CB 1 +ATOM 39976 C CB B THR V 4 306 ? 2.436 12.203 -23.095 0.60 43.90 ? 316 THR d CB 1 +ATOM 39977 O OG1 A THR V 4 306 ? 1.085 11.947 -22.706 0.40 46.66 ? 316 THR d OG1 1 +ATOM 39978 O OG1 B THR V 4 306 ? 1.065 12.021 -22.709 0.60 46.73 ? 316 THR d OG1 1 +ATOM 39979 C CG2 A THR V 4 306 ? 2.956 10.985 -23.925 0.40 43.03 ? 316 THR d CG2 1 +ATOM 39980 C CG2 B THR V 4 306 ? 2.901 11.041 -23.945 0.60 43.05 ? 316 THR d CG2 1 +ATOM 39981 N N A LYS V 4 307 ? 1.955 13.665 -20.243 0.40 43.76 ? 317 LYS d N 1 +ATOM 39982 N N B LYS V 4 307 ? 1.971 13.645 -20.233 0.60 43.73 ? 317 LYS d N 1 +ATOM 39983 C CA A LYS V 4 307 ? 1.572 14.870 -19.499 0.40 43.00 ? 317 LYS d CA 1 +ATOM 39984 C CA B LYS V 4 307 ? 1.586 14.849 -19.493 0.60 43.01 ? 317 LYS d CA 1 +ATOM 39985 C C A LYS V 4 307 ? 2.756 15.471 -18.749 0.40 44.34 ? 317 LYS d C 1 +ATOM 39986 C C B LYS V 4 307 ? 2.764 15.437 -18.724 0.60 44.37 ? 317 LYS d C 1 +ATOM 39987 O O A LYS V 4 307 ? 2.914 16.699 -18.703 0.40 47.91 ? 317 LYS d O 1 +ATOM 39988 O O B LYS V 4 307 ? 2.933 16.659 -18.677 0.60 48.03 ? 317 LYS d O 1 +ATOM 39989 C CB A LYS V 4 307 ? 0.438 14.551 -18.519 0.40 44.70 ? 317 LYS d CB 1 +ATOM 39990 C CB B LYS V 4 307 ? 0.420 14.546 -18.548 0.60 44.80 ? 317 LYS d CB 1 +ATOM 39991 C CG A LYS V 4 307 ? -0.927 14.344 -19.188 0.40 42.94 ? 317 LYS d CG 1 +ATOM 39992 C CG B LYS V 4 307 ? -0.941 14.430 -19.255 0.60 42.74 ? 317 LYS d CG 1 +ATOM 39993 C CD A LYS V 4 307 ? -1.958 13.808 -18.190 0.40 46.91 ? 317 LYS d CD 1 +ATOM 39994 C CD B LYS V 4 307 ? -1.994 13.784 -18.352 0.60 47.15 ? 317 LYS d CD 1 +ATOM 39995 C CE A LYS V 4 307 ? -2.163 14.731 -16.994 0.40 46.85 ? 317 LYS d CE 1 +ATOM 39996 C CE B LYS V 4 307 ? -2.264 14.594 -17.103 0.60 46.14 ? 317 LYS d CE 1 +ATOM 39997 N NZ A LYS V 4 307 ? -2.886 15.999 -17.323 0.40 49.84 ? 317 LYS d NZ 1 +ATOM 39998 N NZ B LYS V 4 307 ? -2.977 15.881 -17.368 0.60 50.12 ? 317 LYS d NZ 1 +ATOM 39999 N N A ASN V 4 308 ? 3.602 14.624 -18.156 0.40 44.26 ? 318 ASN d N 1 +ATOM 40000 N N B ASN V 4 308 ? 3.617 14.587 -18.146 0.60 44.23 ? 318 ASN d N 1 +ATOM 40001 C CA A ASN V 4 308 ? 4.710 15.141 -17.365 0.40 43.44 ? 318 ASN d CA 1 +ATOM 40002 C CA B ASN V 4 308 ? 4.720 15.116 -17.349 0.60 43.50 ? 318 ASN d CA 1 +ATOM 40003 C C A ASN V 4 308 ? 5.801 15.744 -18.245 0.40 41.24 ? 318 ASN d C 1 +ATOM 40004 C C B ASN V 4 308 ? 5.801 15.757 -18.211 0.60 41.15 ? 318 ASN d C 1 +ATOM 40005 O O A ASN V 4 308 ? 6.468 16.700 -17.834 0.40 46.08 ? 318 ASN d O 1 +ATOM 40006 O O B ASN V 4 308 ? 6.418 16.743 -17.789 0.60 46.12 ? 318 ASN d O 1 +ATOM 40007 C CB A ASN V 4 308 ? 5.266 14.027 -16.467 0.40 38.67 ? 318 ASN d CB 1 +ATOM 40008 C CB B ASN V 4 308 ? 5.298 14.009 -16.460 0.60 38.44 ? 318 ASN d CB 1 +ATOM 40009 C CG A ASN V 4 308 ? 4.323 13.700 -15.298 0.40 50.20 ? 318 ASN d CG 1 +ATOM 40010 C CG B ASN V 4 308 ? 4.388 13.696 -15.282 0.60 50.41 ? 318 ASN d CG 1 +ATOM 40011 O OD1 A ASN V 4 308 ? 3.442 14.499 -14.969 0.40 43.66 ? 318 ASN d OD1 1 +ATOM 40012 O OD1 B ASN V 4 308 ? 3.500 14.492 -14.954 0.60 43.66 ? 318 ASN d OD1 1 +ATOM 40013 N ND2 A ASN V 4 308 ? 4.495 12.525 -14.687 0.40 43.65 ? 318 ASN d ND2 1 +ATOM 40014 N ND2 B ASN V 4 308 ? 4.595 12.540 -14.640 0.60 43.63 ? 318 ASN d ND2 1 +ATOM 40015 N N A LEU V 4 309 ? 6.001 15.211 -19.447 0.40 41.20 ? 319 LEU d N 1 +ATOM 40016 N N B LEU V 4 309 ? 6.041 15.224 -19.410 0.60 41.05 ? 319 LEU d N 1 +ATOM 40017 C CA A LEU V 4 309 ? 6.959 15.826 -20.362 0.40 45.39 ? 319 LEU d CA 1 +ATOM 40018 C CA B LEU V 4 309 ? 7.010 15.839 -20.315 0.60 45.35 ? 319 LEU d CA 1 +ATOM 40019 C C A LEU V 4 309 ? 6.553 17.251 -20.727 0.40 44.16 ? 319 LEU d C 1 +ATOM 40020 C C B LEU V 4 309 ? 6.601 17.252 -20.704 0.60 44.08 ? 319 LEU d C 1 +ATOM 40021 O O A LEU V 4 309 ? 7.413 18.129 -20.867 0.40 45.08 ? 319 LEU d O 1 +ATOM 40022 O O B LEU V 4 309 ? 7.458 18.132 -20.868 0.60 44.98 ? 319 LEU d O 1 +ATOM 40023 C CB A LEU V 4 309 ? 7.101 14.979 -21.631 0.40 42.19 ? 319 LEU d CB 1 +ATOM 40024 C CB B LEU V 4 309 ? 7.183 14.987 -21.574 0.60 42.23 ? 319 LEU d CB 1 +ATOM 40025 C CG A LEU V 4 309 ? 7.753 13.609 -21.449 0.40 49.11 ? 319 LEU d CG 1 +ATOM 40026 C CG B LEU V 4 309 ? 7.866 13.633 -21.375 0.60 49.22 ? 319 LEU d CG 1 +ATOM 40027 C CD1 A LEU V 4 309 ? 8.070 12.979 -22.822 0.40 44.08 ? 319 LEU d CD1 1 +ATOM 40028 C CD1 B LEU V 4 309 ? 8.262 13.046 -22.725 0.60 44.19 ? 319 LEU d CD1 1 +ATOM 40029 C CD2 A LEU V 4 309 ? 8.999 13.677 -20.588 0.40 46.11 ? 319 LEU d CD2 1 +ATOM 40030 C CD2 B LEU V 4 309 ? 9.082 13.761 -20.482 0.60 46.28 ? 319 LEU d CD2 1 +ATOM 40031 N N A LEU V 4 310 ? 5.252 17.498 -20.922 0.40 46.86 ? 320 LEU d N 1 +ATOM 40032 N N B LEU V 4 310 ? 5.299 17.490 -20.883 0.60 46.87 ? 320 LEU d N 1 +ATOM 40033 C CA A LEU V 4 310 ? 4.823 18.864 -21.221 0.40 46.79 ? 320 LEU d CA 1 +ATOM 40034 C CA B LEU V 4 310 ? 4.855 18.845 -21.204 0.60 46.81 ? 320 LEU d CA 1 +ATOM 40035 C C A LEU V 4 310 ? 5.200 19.809 -20.093 0.40 48.93 ? 320 LEU d C 1 +ATOM 40036 C C B LEU V 4 310 ? 5.213 19.799 -20.078 0.60 49.00 ? 320 LEU d C 1 +ATOM 40037 O O A LEU V 4 310 ? 5.649 20.938 -20.338 0.40 49.43 ? 320 LEU d O 1 +ATOM 40038 O O B LEU V 4 310 ? 5.653 20.932 -20.322 0.60 49.55 ? 320 LEU d O 1 +ATOM 40039 C CB A LEU V 4 310 ? 3.318 18.917 -21.481 0.40 45.77 ? 320 LEU d CB 1 +ATOM 40040 C CB B LEU V 4 310 ? 3.352 18.866 -21.478 0.60 45.74 ? 320 LEU d CB 1 +ATOM 40041 C CG A LEU V 4 310 ? 2.911 18.262 -22.805 0.40 48.47 ? 320 LEU d CG 1 +ATOM 40042 C CG B LEU V 4 310 ? 2.904 18.213 -22.791 0.60 48.51 ? 320 LEU d CG 1 +ATOM 40043 C CD1 A LEU V 4 310 ? 1.443 17.916 -22.785 0.40 46.59 ? 320 LEU d CD1 1 +ATOM 40044 C CD1 B LEU V 4 310 ? 1.408 17.963 -22.755 0.60 46.67 ? 320 LEU d CD1 1 +ATOM 40045 C CD2 A LEU V 4 310 ? 3.265 19.169 -23.982 0.40 42.11 ? 320 LEU d CD2 1 +ATOM 40046 C CD2 B LEU V 4 310 ? 3.287 19.090 -23.990 0.60 42.12 ? 320 LEU d CD2 1 +ATOM 40047 N N A LEU V 4 311 ? 5.034 19.354 -18.847 0.40 49.88 ? 321 LEU d N 1 +ATOM 40048 N N B LEU V 4 311 ? 5.059 19.338 -18.832 0.60 50.05 ? 321 LEU d N 1 +ATOM 40049 C CA A LEU V 4 311 ? 5.445 20.155 -17.700 0.40 45.87 ? 321 LEU d CA 1 +ATOM 40050 C CA B LEU V 4 311 ? 5.484 20.122 -17.679 0.60 45.91 ? 321 LEU d CA 1 +ATOM 40051 C C A LEU V 4 311 ? 6.948 20.408 -17.716 0.40 47.25 ? 321 LEU d C 1 +ATOM 40052 C C B LEU V 4 311 ? 6.989 20.366 -17.693 0.60 47.35 ? 321 LEU d C 1 +ATOM 40053 O O A LEU V 4 311 ? 7.388 21.535 -17.491 0.40 47.30 ? 321 LEU d O 1 +ATOM 40054 O O B LEU V 4 311 ? 7.437 21.476 -17.404 0.60 47.40 ? 321 LEU d O 1 +ATOM 40055 C CB A LEU V 4 311 ? 5.023 19.460 -16.409 0.40 48.87 ? 321 LEU d CB 1 +ATOM 40056 C CB B LEU V 4 311 ? 5.055 19.417 -16.390 0.60 48.87 ? 321 LEU d CB 1 +ATOM 40057 C CG A LEU V 4 311 ? 3.515 19.181 -16.296 0.40 53.51 ? 321 LEU d CG 1 +ATOM 40058 C CG B LEU V 4 311 ? 3.544 19.159 -16.264 0.60 53.74 ? 321 LEU d CG 1 +ATOM 40059 C CD1 A LEU V 4 311 ? 3.181 18.322 -15.067 0.40 46.00 ? 321 LEU d CD1 1 +ATOM 40060 C CD1 B LEU V 4 311 ? 3.219 18.240 -15.084 0.60 45.95 ? 321 LEU d CD1 1 +ATOM 40061 C CD2 A LEU V 4 311 ? 2.743 20.481 -16.257 0.40 44.69 ? 321 LEU d CD2 1 +ATOM 40062 C CD2 B LEU V 4 311 ? 2.786 20.478 -16.142 0.60 44.62 ? 321 LEU d CD2 1 +ATOM 40063 N N A ASN V 4 312 ? 7.755 19.379 -17.999 0.40 44.08 ? 322 ASN d N 1 +ATOM 40064 N N B ASN V 4 312 ? 7.794 19.349 -18.022 0.60 43.87 ? 322 ASN d N 1 +ATOM 40065 C CA A ASN V 4 312 ? 9.201 19.595 -18.069 0.40 55.16 ? 322 ASN d CA 1 +ATOM 40066 C CA B ASN V 4 312 ? 9.238 19.583 -18.080 0.60 55.47 ? 322 ASN d CA 1 +ATOM 40067 C C A ASN V 4 312 ? 9.550 20.634 -19.122 0.40 53.28 ? 322 ASN d C 1 +ATOM 40068 C C B ASN V 4 312 ? 9.586 20.639 -19.128 0.60 53.46 ? 322 ASN d C 1 +ATOM 40069 O O A ASN V 4 312 ? 10.463 21.444 -18.925 0.40 46.56 ? 322 ASN d O 1 +ATOM 40070 O O B ASN V 4 312 ? 10.462 21.483 -18.905 0.60 46.49 ? 322 ASN d O 1 +ATOM 40071 C CB A ASN V 4 312 ? 9.936 18.299 -18.399 0.40 46.89 ? 322 ASN d CB 1 +ATOM 40072 C CB B ASN V 4 312 ? 9.998 18.295 -18.392 0.60 46.88 ? 322 ASN d CB 1 +ATOM 40073 C CG A ASN V 4 312 ? 9.763 17.241 -17.341 0.40 52.76 ? 322 ASN d CG 1 +ATOM 40074 C CG B ASN V 4 312 ? 9.748 17.191 -17.380 0.60 52.96 ? 322 ASN d CG 1 +ATOM 40075 O OD1 A ASN V 4 312 ? 9.379 17.524 -16.191 0.40 47.20 ? 322 ASN d OD1 1 +ATOM 40076 O OD1 B ASN V 4 312 ? 9.467 17.445 -16.204 0.60 47.23 ? 322 ASN d OD1 1 +ATOM 40077 N ND2 A ASN V 4 312 ? 10.068 16.001 -17.716 0.40 43.66 ? 322 ASN d ND2 1 +ATOM 40078 N ND2 B ASN V 4 312 ? 9.859 15.947 -17.841 0.60 43.40 ? 322 ASN d ND2 1 +ATOM 40079 N N A GLU V 4 313 ? 8.865 20.584 -20.272 0.40 46.29 ? 323 GLU d N 1 +ATOM 40080 N N B GLU V 4 313 ? 8.923 20.583 -20.290 0.60 46.26 ? 323 GLU d N 1 +ATOM 40081 C CA A GLU V 4 313 ? 9.143 21.517 -21.355 0.40 46.44 ? 323 GLU d CA 1 +ATOM 40082 C CA B GLU V 4 313 ? 9.201 21.530 -21.361 0.60 46.32 ? 323 GLU d CA 1 +ATOM 40083 C C A GLU V 4 313 ? 8.816 22.942 -20.932 0.40 51.06 ? 323 GLU d C 1 +ATOM 40084 C C B GLU V 4 313 ? 8.859 22.953 -20.934 0.60 51.17 ? 323 GLU d C 1 +ATOM 40085 O O A GLU V 4 313 ? 9.521 23.891 -21.308 0.40 50.17 ? 323 GLU d O 1 +ATOM 40086 O O B GLU V 4 313 ? 9.592 23.900 -21.250 0.60 50.12 ? 323 GLU d O 1 +ATOM 40087 C CB A GLU V 4 313 ? 8.349 21.112 -22.605 0.40 48.53 ? 323 GLU d CB 1 +ATOM 40088 C CB B GLU V 4 313 ? 8.425 21.120 -22.618 0.60 48.63 ? 323 GLU d CB 1 +ATOM 40089 C CG A GLU V 4 313 ? 8.934 19.868 -23.298 0.40 49.94 ? 323 GLU d CG 1 +ATOM 40090 C CG B GLU V 4 313 ? 8.976 19.822 -23.234 0.60 49.82 ? 323 GLU d CG 1 +ATOM 40091 C CD A GLU V 4 313 ? 7.885 19.018 -23.994 0.40 49.45 ? 323 GLU d CD 1 +ATOM 40092 C CD B GLU V 4 313 ? 7.919 18.986 -23.934 0.60 49.48 ? 323 GLU d CD 1 +ATOM 40093 O OE1 A GLU V 4 313 ? 6.828 19.556 -24.404 0.40 48.09 ? 323 GLU d OE1 1 +ATOM 40094 O OE1 B GLU V 4 313 ? 6.838 19.517 -24.276 0.60 48.53 ? 323 GLU d OE1 1 +ATOM 40095 O OE2 A GLU V 4 313 ? 8.115 17.798 -24.109 0.40 49.14 ? 323 GLU d OE2 1 +ATOM 40096 O OE2 B GLU V 4 313 ? 8.173 17.784 -24.134 0.60 49.32 ? 323 GLU d OE2 1 +ATOM 40097 N N A GLY V 4 314 ? 7.748 23.109 -20.144 0.40 47.84 ? 324 GLY d N 1 +ATOM 40098 N N B GLY V 4 314 ? 7.756 23.120 -20.200 0.60 47.86 ? 324 GLY d N 1 +ATOM 40099 C CA A GLY V 4 314 ? 7.467 24.411 -19.572 0.40 42.87 ? 324 GLY d CA 1 +ATOM 40100 C CA B GLY V 4 314 ? 7.477 24.413 -19.598 0.60 42.70 ? 324 GLY d CA 1 +ATOM 40101 C C A GLY V 4 314 ? 8.554 24.858 -18.611 0.40 48.16 ? 324 GLY d C 1 +ATOM 40102 C C B GLY V 4 314 ? 8.566 24.851 -18.636 0.60 48.19 ? 324 GLY d C 1 +ATOM 40103 O O A GLY V 4 314 ? 9.011 25.998 -18.672 0.40 49.69 ? 324 GLY d O 1 +ATOM 40104 O O B GLY V 4 314 ? 9.011 25.996 -18.676 0.60 49.80 ? 324 GLY d O 1 +ATOM 40105 N N A ILE V 4 315 ? 9.002 23.961 -17.724 0.40 48.54 ? 325 ILE d N 1 +ATOM 40106 N N B ILE V 4 315 ? 9.030 23.939 -17.777 0.60 48.55 ? 325 ILE d N 1 +ATOM 40107 C CA A ILE V 4 315 ? 10.062 24.330 -16.788 0.40 48.21 ? 325 ILE d CA 1 +ATOM 40108 C CA B ILE V 4 315 ? 10.074 24.284 -16.814 0.60 48.12 ? 325 ILE d CA 1 +ATOM 40109 C C A ILE V 4 315 ? 11.291 24.823 -17.544 0.40 50.86 ? 325 ILE d C 1 +ATOM 40110 C C B ILE V 4 315 ? 11.320 24.781 -17.538 0.60 50.91 ? 325 ILE d C 1 +ATOM 40111 O O A ILE V 4 315 ? 11.873 25.861 -17.208 0.40 50.95 ? 325 ILE d O 1 +ATOM 40112 O O B ILE V 4 315 ? 11.914 25.802 -17.167 0.60 51.02 ? 325 ILE d O 1 +ATOM 40113 C CB A ILE V 4 315 ? 10.409 23.152 -15.859 0.40 50.77 ? 325 ILE d CB 1 +ATOM 40114 C CB B ILE V 4 315 ? 10.395 23.084 -15.901 0.60 50.78 ? 325 ILE d CB 1 +ATOM 40115 C CG1 A ILE V 4 315 ? 9.281 22.892 -14.852 0.40 54.34 ? 325 ILE d CG1 1 +ATOM 40116 C CG1 B ILE V 4 315 ? 9.267 22.831 -14.892 0.60 54.60 ? 325 ILE d CG1 1 +ATOM 40117 C CG2 A ILE V 4 315 ? 11.690 23.448 -15.089 0.40 44.47 ? 325 ILE d CG2 1 +ATOM 40118 C CG2 B ILE V 4 315 ? 11.708 23.311 -15.160 0.60 44.52 ? 325 ILE d CG2 1 +ATOM 40119 C CD1 A ILE V 4 315 ? 9.412 21.508 -14.125 0.40 46.77 ? 325 ILE d CD1 1 +ATOM 40120 C CD1 B ILE V 4 315 ? 9.429 21.492 -14.103 0.60 46.69 ? 325 ILE d CD1 1 +ATOM 40121 N N A ARG V 4 316 ? 11.703 24.089 -18.582 0.40 52.71 ? 326 ARG d N 1 +ATOM 40122 N N B ARG V 4 316 ? 11.728 24.075 -18.590 0.60 52.81 ? 326 ARG d N 1 +ATOM 40123 C CA A ARG V 4 316 ? 12.938 24.441 -19.277 0.40 50.42 ? 326 ARG d CA 1 +ATOM 40124 C CA B ARG V 4 316 ? 12.960 24.434 -19.285 0.60 50.42 ? 326 ARG d CA 1 +ATOM 40125 C C A ARG V 4 316 ? 12.835 25.814 -19.922 0.40 54.83 ? 326 ARG d C 1 +ATOM 40126 C C B ARG V 4 316 ? 12.848 25.806 -19.935 0.60 54.98 ? 326 ARG d C 1 +ATOM 40127 O O A ARG V 4 316 ? 13.727 26.652 -19.761 0.40 51.74 ? 326 ARG d O 1 +ATOM 40128 O O B ARG V 4 316 ? 13.730 26.656 -19.765 0.60 51.77 ? 326 ARG d O 1 +ATOM 40129 C CB A ARG V 4 316 ? 13.287 23.382 -20.319 0.40 49.15 ? 326 ARG d CB 1 +ATOM 40130 C CB B ARG V 4 316 ? 13.312 23.367 -20.321 0.60 49.16 ? 326 ARG d CB 1 +ATOM 40131 C CG A ARG V 4 316 ? 13.737 22.037 -19.713 0.40 46.81 ? 326 ARG d CG 1 +ATOM 40132 C CG B ARG V 4 316 ? 13.805 22.050 -19.702 0.60 46.78 ? 326 ARG d CG 1 +ATOM 40133 C CD A ARG V 4 316 ? 14.477 21.200 -20.749 0.40 46.78 ? 326 ARG d CD 1 +ATOM 40134 C CD B ARG V 4 316 ? 14.585 21.229 -20.725 0.60 46.74 ? 326 ARG d CD 1 +ATOM 40135 N NE A ARG V 4 316 ? 13.641 20.788 -21.875 0.40 47.84 ? 326 ARG d NE 1 +ATOM 40136 N NE B ARG V 4 316 ? 13.760 20.807 -21.852 0.60 48.03 ? 326 ARG d NE 1 +ATOM 40137 C CZ A ARG V 4 316 ? 12.985 19.637 -21.934 0.40 47.51 ? 326 ARG d CZ 1 +ATOM 40138 C CZ B ARG V 4 316 ? 13.064 19.680 -21.885 0.60 47.53 ? 326 ARG d CZ 1 +ATOM 40139 N NH1 A ARG V 4 316 ? 12.998 18.779 -20.918 0.40 45.16 ? 326 ARG d NH1 1 +ATOM 40140 N NH1 B ARG V 4 316 ? 13.045 18.851 -20.850 0.60 44.96 ? 326 ARG d NH1 1 +ATOM 40141 N NH2 A ARG V 4 316 ? 12.300 19.336 -23.037 0.40 50.01 ? 326 ARG d NH2 1 +ATOM 40142 N NH2 B ARG V 4 316 ? 12.374 19.374 -22.982 0.60 50.10 ? 326 ARG d NH2 1 +ATOM 40143 N N . ALA V 4 317 ? 11.763 26.050 -20.671 1.00 46.61 ? 327 ALA d N 1 +ATOM 40144 C CA . ALA V 4 317 ? 11.677 27.285 -21.431 1.00 52.91 ? 327 ALA d CA 1 +ATOM 40145 C C . ALA V 4 317 ? 11.501 28.478 -20.503 1.00 51.33 ? 327 ALA d C 1 +ATOM 40146 O O . ALA V 4 317 ? 12.103 29.526 -20.723 1.00 54.19 ? 327 ALA d O 1 +ATOM 40147 C CB . ALA V 4 317 ? 10.546 27.199 -22.462 1.00 46.48 ? 327 ALA d CB 1 +ATOM 40148 N N A TRP V 4 318 ? 10.712 28.324 -19.434 0.40 50.83 ? 328 TRP d N 1 +ATOM 40149 N N B TRP V 4 318 ? 10.724 28.316 -19.436 0.60 50.88 ? 328 TRP d N 1 +ATOM 40150 C CA A TRP V 4 318 ? 10.400 29.447 -18.563 0.40 50.63 ? 328 TRP d CA 1 +ATOM 40151 C CA B TRP V 4 318 ? 10.402 29.437 -18.573 0.60 50.63 ? 328 TRP d CA 1 +ATOM 40152 C C A TRP V 4 318 ? 11.520 29.773 -17.581 0.40 56.57 ? 328 TRP d C 1 +ATOM 40153 C C B TRP V 4 318 ? 11.497 29.764 -17.567 0.60 56.74 ? 328 TRP d C 1 +ATOM 40154 O O A TRP V 4 318 ? 11.640 30.923 -17.160 0.40 55.65 ? 328 TRP d O 1 +ATOM 40155 O O B TRP V 4 318 ? 11.567 30.909 -17.114 0.60 55.82 ? 328 TRP d O 1 +ATOM 40156 C CB A TRP V 4 318 ? 9.092 29.175 -17.827 0.40 46.99 ? 328 TRP d CB 1 +ATOM 40157 C CB B TRP V 4 318 ? 9.081 29.168 -17.854 0.60 46.91 ? 328 TRP d CB 1 +ATOM 40158 C CG A TRP V 4 318 ? 7.953 29.403 -18.758 0.40 50.84 ? 328 TRP d CG 1 +ATOM 40159 C CG B TRP V 4 318 ? 7.945 29.381 -18.776 0.60 50.90 ? 328 TRP d CG 1 +ATOM 40160 C CD1 A TRP V 4 318 ? 7.573 28.598 -19.796 0.40 52.17 ? 328 TRP d CD1 1 +ATOM 40161 C CD1 B TRP V 4 318 ? 7.572 28.574 -19.815 0.60 52.22 ? 328 TRP d CD1 1 +ATOM 40162 C CD2 A TRP V 4 318 ? 7.071 30.529 -18.777 0.40 47.25 ? 328 TRP d CD2 1 +ATOM 40163 C CD2 B TRP V 4 318 ? 7.048 30.494 -18.788 0.60 47.06 ? 328 TRP d CD2 1 +ATOM 40164 N NE1 A TRP V 4 318 ? 6.495 29.143 -20.449 0.40 53.94 ? 328 TRP d NE1 1 +ATOM 40165 N NE1 B TRP V 4 318 ? 6.485 29.110 -20.462 0.60 54.05 ? 328 TRP d NE1 1 +ATOM 40166 C CE2 A TRP V 4 318 ? 6.169 30.332 -19.848 0.40 51.10 ? 328 TRP d CE2 1 +ATOM 40167 C CE2 B TRP V 4 318 ? 6.145 30.291 -19.858 0.60 51.12 ? 328 TRP d CE2 1 +ATOM 40168 C CE3 A TRP V 4 318 ? 6.941 31.674 -17.979 0.40 53.19 ? 328 TRP d CE3 1 +ATOM 40169 C CE3 B TRP V 4 318 ? 6.913 31.643 -17.996 0.60 53.28 ? 328 TRP d CE3 1 +ATOM 40170 C CZ2 A TRP V 4 318 ? 5.149 31.237 -20.145 0.40 48.69 ? 328 TRP d CZ2 1 +ATOM 40171 C CZ2 B TRP V 4 318 ? 5.118 31.192 -20.157 0.60 48.71 ? 328 TRP d CZ2 1 +ATOM 40172 C CZ3 A TRP V 4 318 ? 5.930 32.579 -18.276 0.40 53.17 ? 328 TRP d CZ3 1 +ATOM 40173 C CZ3 B TRP V 4 318 ? 5.890 32.536 -18.290 0.60 53.23 ? 328 TRP d CZ3 1 +ATOM 40174 C CH2 A TRP V 4 318 ? 5.044 32.350 -19.355 0.40 50.23 ? 328 TRP d CH2 1 +ATOM 40175 C CH2 B TRP V 4 318 ? 5.003 32.301 -19.362 0.60 50.13 ? 328 TRP d CH2 1 +ATOM 40176 N N . MET V 4 319 ? 12.357 28.811 -17.211 1.00 53.17 ? 329 MET d N 1 +ATOM 40177 C CA . MET V 4 319 ? 13.371 29.094 -16.203 1.00 47.41 ? 329 MET d CA 1 +ATOM 40178 C C . MET V 4 319 ? 14.766 29.286 -16.780 1.00 50.15 ? 329 MET d C 1 +ATOM 40179 O O . MET V 4 319 ? 15.594 29.920 -16.125 1.00 50.55 ? 329 MET d O 1 +ATOM 40180 C CB . MET V 4 319 ? 13.390 27.981 -15.122 1.00 54.43 ? 329 MET d CB 1 +ATOM 40181 C CG . MET V 4 319 ? 14.476 26.924 -15.263 1.00 58.99 ? 329 MET d CG 1 +ATOM 40182 S SD . MET V 4 319 ? 14.498 25.638 -13.955 1.00 55.35 ? 329 MET d SD 1 +ATOM 40183 C CE . MET V 4 319 ? 15.396 26.394 -12.595 1.00 49.51 ? 329 MET d CE 1 +ATOM 40184 N N . ALA V 4 320 ? 15.034 28.811 -18.005 1.00 41.79 ? 330 ALA d N 1 +ATOM 40185 C CA . ALA V 4 320 ? 16.409 28.826 -18.506 1.00 59.19 ? 330 ALA d CA 1 +ATOM 40186 C C . ALA V 4 320 ? 17.019 30.225 -18.653 1.00 52.37 ? 330 ALA d C 1 +ATOM 40187 O O . ALA V 4 320 ? 18.212 30.373 -18.333 1.00 53.60 ? 330 ALA d O 1 +ATOM 40188 C CB . ALA V 4 320 ? 16.503 28.052 -19.834 1.00 44.33 ? 330 ALA d CB 1 +ATOM 40189 N N . PRO V 4 321 ? 16.311 31.258 -19.135 1.00 54.65 ? 331 PRO d N 1 +ATOM 40190 C CA . PRO V 4 321 ? 16.992 32.563 -19.324 1.00 61.90 ? 331 PRO d CA 1 +ATOM 40191 C C . PRO V 4 321 ? 17.541 33.139 -18.038 1.00 53.82 ? 331 PRO d C 1 +ATOM 40192 O O . PRO V 4 321 ? 18.720 33.520 -17.987 1.00 58.08 ? 331 PRO d O 1 +ATOM 40193 C CB . PRO V 4 321 ? 15.894 33.440 -19.942 1.00 51.21 ? 331 PRO d CB 1 +ATOM 40194 C CG . PRO V 4 321 ? 15.044 32.435 -20.714 1.00 51.13 ? 331 PRO d CG 1 +ATOM 40195 C CD . PRO V 4 321 ? 14.978 31.252 -19.780 1.00 61.72 ? 331 PRO d CD 1 +ATOM 40196 N N A GLN V 4 322 ? 16.726 33.213 -16.982 0.50 50.85 ? 332 GLN d N 1 +ATOM 40197 N N B GLN V 4 322 ? 16.718 33.162 -16.986 0.50 50.89 ? 332 GLN d N 1 +ATOM 40198 C CA A GLN V 4 322 ? 17.196 33.749 -15.710 0.50 50.93 ? 332 GLN d CA 1 +ATOM 40199 C CA B GLN V 4 322 ? 17.121 33.694 -15.691 0.50 50.94 ? 332 GLN d CA 1 +ATOM 40200 C C A GLN V 4 322 ? 18.071 32.759 -14.947 0.50 59.96 ? 332 GLN d C 1 +ATOM 40201 C C B GLN V 4 322 ? 18.054 32.745 -14.956 0.50 59.97 ? 332 GLN d C 1 +ATOM 40202 O O A GLN V 4 322 ? 18.901 33.181 -14.135 0.50 60.21 ? 332 GLN d O 1 +ATOM 40203 O O B GLN V 4 322 ? 18.915 33.189 -14.189 0.50 60.23 ? 332 GLN d O 1 +ATOM 40204 C CB A GLN V 4 322 ? 16.007 34.181 -14.845 0.50 59.77 ? 332 GLN d CB 1 +ATOM 40205 C CB B GLN V 4 322 ? 15.877 33.967 -14.843 0.50 58.29 ? 332 GLN d CB 1 +ATOM 40206 C CG A GLN V 4 322 ? 15.209 35.342 -15.436 0.50 53.82 ? 332 GLN d CG 1 +ATOM 40207 C CG B GLN V 4 322 ? 14.855 34.913 -15.503 0.50 56.46 ? 332 GLN d CG 1 +ATOM 40208 C CD A GLN V 4 322 ? 14.294 36.014 -14.425 0.50 76.99 ? 332 GLN d CD 1 +ATOM 40209 C CD B GLN V 4 322 ? 14.053 34.260 -16.625 0.50 59.01 ? 332 GLN d CD 1 +ATOM 40210 O OE1 A GLN V 4 322 ? 14.273 35.649 -13.244 0.50 68.85 ? 332 GLN d OE1 1 +ATOM 40211 O OE1 B GLN V 4 322 ? 14.106 33.040 -16.825 0.50 43.10 ? 332 GLN d OE1 1 +ATOM 40212 N NE2 A GLN V 4 322 ? 13.538 37.015 -14.881 0.50 75.92 ? 332 GLN d NE2 1 +ATOM 40213 N NE2 B GLN V 4 322 ? 13.313 35.078 -17.369 0.50 53.77 ? 332 GLN d NE2 1 +ATOM 40214 N N . ASP V 4 323 ? 17.895 31.436 -15.168 1.00 58.91 ? 333 ASP d N 1 +ATOM 40215 C CA . ASP V 4 323 ? 18.679 30.451 -14.420 1.00 47.19 ? 333 ASP d CA 1 +ATOM 40216 C C . ASP V 4 323 ? 20.061 30.239 -15.026 1.00 54.50 ? 333 ASP d C 1 +ATOM 40217 O O . ASP V 4 323 ? 20.996 29.870 -14.310 1.00 46.78 ? 333 ASP d O 1 +ATOM 40218 C CB . ASP V 4 323 ? 17.917 29.111 -14.329 1.00 52.45 ? 333 ASP d CB 1 +ATOM 40219 C CG . ASP V 4 323 ? 18.622 28.072 -13.420 1.00 60.84 ? 333 ASP d CG 1 +ATOM 40220 O OD1 . ASP V 4 323 ? 18.746 28.313 -12.186 1.00 52.02 ? 333 ASP d OD1 1 +ATOM 40221 O OD2 . ASP V 4 323 ? 19.046 27.012 -13.942 1.00 52.11 ? 333 ASP d OD2 1 +ATOM 40222 N N . GLN V 4 324 ? 20.224 30.459 -16.336 1.00 48.65 ? 334 GLN d N 1 +ATOM 40223 C CA . GLN V 4 324 ? 21.522 30.311 -16.995 1.00 53.30 ? 334 GLN d CA 1 +ATOM 40224 C C . GLN V 4 324 ? 21.907 31.621 -17.672 1.00 58.82 ? 334 GLN d C 1 +ATOM 40225 O O . GLN V 4 324 ? 21.942 31.708 -18.909 1.00 60.10 ? 334 GLN d O 1 +ATOM 40226 C CB . GLN V 4 324 ? 21.488 29.158 -17.998 1.00 51.88 ? 334 GLN d CB 1 +ATOM 40227 C CG . GLN V 4 324 ? 20.983 27.841 -17.390 1.00 48.07 ? 334 GLN d CG 1 +ATOM 40228 C CD . GLN V 4 324 ? 20.965 26.691 -18.393 1.00 66.26 ? 334 GLN d CD 1 +ATOM 40229 O OE1 . GLN V 4 324 ? 21.909 26.507 -19.178 1.00 54.90 ? 334 GLN d OE1 1 +ATOM 40230 N NE2 . GLN V 4 324 ? 19.884 25.908 -18.371 1.00 51.82 ? 334 GLN d NE2 1 +ATOM 40231 N N . PRO V 4 325 ? 22.202 32.666 -16.889 1.00 60.92 ? 335 PRO d N 1 +ATOM 40232 C CA . PRO V 4 325 ? 22.349 34.011 -17.491 1.00 55.03 ? 335 PRO d CA 1 +ATOM 40233 C C . PRO V 4 325 ? 23.498 34.124 -18.473 1.00 49.75 ? 335 PRO d C 1 +ATOM 40234 O O . PRO V 4 325 ? 23.431 34.946 -19.388 1.00 59.50 ? 335 PRO d O 1 +ATOM 40235 C CB . PRO V 4 325 ? 22.565 34.915 -16.268 1.00 59.30 ? 335 PRO d CB 1 +ATOM 40236 C CG . PRO V 4 325 ? 23.073 33.991 -15.194 1.00 55.55 ? 335 PRO d CG 1 +ATOM 40237 C CD . PRO V 4 325 ? 22.339 32.703 -15.423 1.00 57.73 ? 335 PRO d CD 1 +ATOM 40238 N N . HIS V 4 326 ? 24.548 33.314 -18.322 1.00 55.97 ? 336 HIS d N 1 +ATOM 40239 C CA . HIS V 4 326 ? 25.689 33.345 -19.235 1.00 61.93 ? 336 HIS d CA 1 +ATOM 40240 C C . HIS V 4 326 ? 25.349 32.865 -20.639 1.00 61.12 ? 336 HIS d C 1 +ATOM 40241 O O . HIS V 4 326 ? 26.151 33.062 -21.555 1.00 62.79 ? 336 HIS d O 1 +ATOM 40242 C CB . HIS V 4 326 ? 26.806 32.475 -18.686 1.00 53.87 ? 336 HIS d CB 1 +ATOM 40243 C CG . HIS V 4 326 ? 26.349 31.092 -18.372 1.00 70.73 ? 336 HIS d CG 1 +ATOM 40244 N ND1 . HIS V 4 326 ? 25.670 30.786 -17.209 1.00 62.51 ? 336 HIS d ND1 1 +ATOM 40245 C CD2 . HIS V 4 326 ? 26.403 29.946 -19.097 1.00 62.65 ? 336 HIS d CD2 1 +ATOM 40246 C CE1 . HIS V 4 326 ? 25.365 29.497 -17.220 1.00 68.72 ? 336 HIS d CE1 1 +ATOM 40247 N NE2 . HIS V 4 326 ? 25.799 28.968 -18.351 1.00 61.62 ? 336 HIS d NE2 1 +ATOM 40248 N N . GLU V 4 327 ? 24.208 32.204 -20.827 1.00 66.99 ? 337 GLU d N 1 +ATOM 40249 C CA . GLU V 4 327 ? 23.839 31.740 -22.157 1.00 60.44 ? 337 GLU d CA 1 +ATOM 40250 C C . GLU V 4 327 ? 23.178 32.835 -22.973 1.00 65.20 ? 337 GLU d C 1 +ATOM 40251 O O . GLU V 4 327 ? 23.121 32.724 -24.201 1.00 57.36 ? 337 GLU d O 1 +ATOM 40252 C CB . GLU V 4 327 ? 22.892 30.531 -22.075 1.00 52.00 ? 337 GLU d CB 1 +ATOM 40253 C CG . GLU V 4 327 ? 23.506 29.249 -21.491 1.00 46.24 ? 337 GLU d CG 1 +ATOM 40254 C CD . GLU V 4 327 ? 24.336 28.481 -22.510 1.00 52.43 ? 337 GLU d CD 1 +ATOM 40255 O OE1 . GLU V 4 327 ? 24.474 28.949 -23.655 1.00 60.88 ? 337 GLU d OE1 1 +ATOM 40256 O OE2 . GLU V 4 327 ? 24.844 27.396 -22.181 1.00 58.03 ? 337 GLU d OE2 1 +ATOM 40257 N N . ASN V 4 328 ? 22.673 33.879 -22.322 1.00 60.29 ? 338 ASN d N 1 +ATOM 40258 C CA . ASN V 4 328 ? 21.985 34.965 -23.013 1.00 68.63 ? 338 ASN d CA 1 +ATOM 40259 C C . ASN V 4 328 ? 20.834 34.444 -23.865 1.00 56.61 ? 338 ASN d C 1 +ATOM 40260 O O . ASN V 4 328 ? 20.635 34.852 -25.007 1.00 61.74 ? 338 ASN d O 1 +ATOM 40261 C CB . ASN V 4 328 ? 22.957 35.787 -23.862 1.00 70.17 ? 338 ASN d CB 1 +ATOM 40262 C CG . ASN V 4 328 ? 23.839 36.676 -23.019 1.00 99.95 ? 338 ASN d CG 1 +ATOM 40263 O OD1 . ASN V 4 328 ? 23.378 37.680 -22.457 1.00 102.15 ? 338 ASN d OD1 1 +ATOM 40264 N ND2 . ASN V 4 328 ? 25.116 36.299 -22.898 1.00 91.56 ? 338 ASN d ND2 1 +ATOM 40265 N N . PHE V 4 329 ? 20.059 33.531 -23.302 1.00 57.04 ? 339 PHE d N 1 +ATOM 40266 C CA . PHE V 4 329 ? 18.839 33.121 -23.977 1.00 65.19 ? 339 PHE d CA 1 +ATOM 40267 C C . PHE V 4 329 ? 17.891 34.312 -24.107 1.00 58.68 ? 339 PHE d C 1 +ATOM 40268 O O . PHE V 4 329 ? 17.540 34.950 -23.119 1.00 64.47 ? 339 PHE d O 1 +ATOM 40269 C CB . PHE V 4 329 ? 18.160 31.990 -23.211 1.00 57.91 ? 339 PHE d CB 1 +ATOM 40270 C CG . PHE V 4 329 ? 18.942 30.711 -23.199 1.00 56.71 ? 339 PHE d CG 1 +ATOM 40271 C CD1 . PHE V 4 329 ? 19.466 30.190 -24.373 1.00 52.63 ? 339 PHE d CD1 1 +ATOM 40272 C CD2 . PHE V 4 329 ? 19.158 30.031 -22.001 1.00 56.40 ? 339 PHE d CD2 1 +ATOM 40273 C CE1 . PHE V 4 329 ? 20.179 29.002 -24.366 1.00 50.03 ? 339 PHE d CE1 1 +ATOM 40274 C CE2 . PHE V 4 329 ? 19.864 28.834 -21.980 1.00 56.85 ? 339 PHE d CE2 1 +ATOM 40275 C CZ . PHE V 4 329 ? 20.383 28.318 -23.169 1.00 53.38 ? 339 PHE d CZ 1 +ATOM 40276 N N . VAL V 4 330 ? 17.472 34.613 -25.325 1.00 58.71 ? 340 VAL d N 1 +ATOM 40277 C CA . VAL V 4 330 ? 16.370 35.535 -25.550 1.00 58.30 ? 340 VAL d CA 1 +ATOM 40278 C C . VAL V 4 330 ? 15.244 34.719 -26.160 1.00 60.01 ? 340 VAL d C 1 +ATOM 40279 O O . VAL V 4 330 ? 15.337 34.278 -27.313 1.00 64.51 ? 340 VAL d O 1 +ATOM 40280 C CB . VAL V 4 330 ? 16.766 36.715 -26.453 1.00 71.45 ? 340 VAL d CB 1 +ATOM 40281 C CG1 . VAL V 4 330 ? 15.569 37.599 -26.697 1.00 65.11 ? 340 VAL d CG1 1 +ATOM 40282 C CG2 . VAL V 4 330 ? 17.859 37.514 -25.805 1.00 61.57 ? 340 VAL d CG2 1 +ATOM 40283 N N . PHE V 4 331 ? 14.192 34.497 -25.383 1.00 55.01 ? 341 PHE d N 1 +ATOM 40284 C CA . PHE V 4 331 ? 13.045 33.730 -25.849 1.00 61.76 ? 341 PHE d CA 1 +ATOM 40285 C C . PHE V 4 331 ? 11.896 34.709 -26.038 1.00 56.94 ? 341 PHE d C 1 +ATOM 40286 O O . PHE V 4 331 ? 11.256 35.101 -25.055 1.00 58.70 ? 341 PHE d O 1 +ATOM 40287 C CB . PHE V 4 331 ? 12.663 32.626 -24.846 1.00 61.86 ? 341 PHE d CB 1 +ATOM 40288 C CG . PHE V 4 331 ? 13.690 31.504 -24.710 1.00 53.21 ? 341 PHE d CG 1 +ATOM 40289 C CD1 . PHE V 4 331 ? 14.706 31.337 -25.647 1.00 58.82 ? 341 PHE d CD1 1 +ATOM 40290 C CD2 . PHE V 4 331 ? 13.617 30.606 -23.653 1.00 58.80 ? 341 PHE d CD2 1 +ATOM 40291 C CE1 . PHE V 4 331 ? 15.637 30.314 -25.521 1.00 56.53 ? 341 PHE d CE1 1 +ATOM 40292 C CE2 . PHE V 4 331 ? 14.545 29.568 -23.519 1.00 53.51 ? 341 PHE d CE2 1 +ATOM 40293 C CZ . PHE V 4 331 ? 15.553 29.421 -24.448 1.00 57.56 ? 341 PHE d CZ 1 +ATOM 40294 N N . PRO V 4 332 ? 11.603 35.153 -27.256 1.00 59.72 ? 342 PRO d N 1 +ATOM 40295 C CA . PRO V 4 332 ? 10.447 36.043 -27.449 1.00 55.72 ? 342 PRO d CA 1 +ATOM 40296 C C . PRO V 4 332 ? 9.187 35.377 -26.923 1.00 62.20 ? 342 PRO d C 1 +ATOM 40297 O O . PRO V 4 332 ? 9.098 34.148 -26.838 1.00 56.50 ? 342 PRO d O 1 +ATOM 40298 C CB . PRO V 4 332 ? 10.375 36.238 -28.973 1.00 58.33 ? 342 PRO d CB 1 +ATOM 40299 C CG . PRO V 4 332 ? 11.689 35.778 -29.510 1.00 56.39 ? 342 PRO d CG 1 +ATOM 40300 C CD . PRO V 4 332 ? 12.263 34.790 -28.521 1.00 54.00 ? 342 PRO d CD 1 +ATOM 40301 N N . GLU V 4 333 ? 8.200 36.205 -26.575 1.00 52.71 ? 343 GLU d N 1 +ATOM 40302 C CA . GLU V 4 333 ? 6.974 35.686 -25.970 1.00 65.94 ? 343 GLU d CA 1 +ATOM 40303 C C . GLU V 4 333 ? 6.330 34.621 -26.838 1.00 56.68 ? 343 GLU d C 1 +ATOM 40304 O O . GLU V 4 333 ? 5.740 33.667 -26.327 1.00 66.10 ? 343 GLU d O 1 +ATOM 40305 C CB . GLU V 4 333 ? 5.957 36.810 -25.747 1.00 59.25 ? 343 GLU d CB 1 +ATOM 40306 C CG . GLU V 4 333 ? 6.483 38.018 -25.064 1.00 91.07 ? 343 GLU d CG 1 +ATOM 40307 C CD . GLU V 4 333 ? 5.374 39.002 -24.736 1.00 102.57 ? 343 GLU d CD 1 +ATOM 40308 O OE1 . GLU V 4 333 ? 4.193 38.571 -24.682 1.00 91.72 ? 343 GLU d OE1 1 +ATOM 40309 O OE2 . GLU V 4 333 ? 5.692 40.197 -24.539 1.00 87.73 ? 343 GLU d OE2 1 +ATOM 40310 N N . GLU V 4 334 ? 6.414 34.783 -28.158 1.00 55.82 ? 344 GLU d N 1 +ATOM 40311 C CA . GLU V 4 334 ? 5.657 33.933 -29.065 1.00 55.76 ? 344 GLU d CA 1 +ATOM 40312 C C . GLU V 4 334 ? 6.199 32.515 -29.131 1.00 54.13 ? 344 GLU d C 1 +ATOM 40313 O O . GLU V 4 334 ? 5.495 31.624 -29.615 1.00 61.91 ? 344 GLU d O 1 +ATOM 40314 C CB . GLU V 4 334 ? 5.642 34.543 -30.464 1.00 51.71 ? 344 GLU d CB 1 +ATOM 40315 C CG . GLU V 4 334 ? 7.025 34.679 -31.127 1.00 57.06 ? 344 GLU d CG 1 +ATOM 40316 C CD . GLU V 4 334 ? 6.982 35.551 -32.385 1.00 64.58 ? 344 GLU d CD 1 +ATOM 40317 O OE1 . GLU V 4 334 ? 6.738 36.772 -32.255 1.00 56.15 ? 344 GLU d OE1 1 +ATOM 40318 O OE2 . GLU V 4 334 ? 7.161 35.010 -33.492 1.00 53.46 ? 344 GLU d OE2 1 +ATOM 40319 N N . VAL V 4 335 ? 7.436 32.283 -28.681 1.00 52.05 ? 345 VAL d N 1 +ATOM 40320 C CA . VAL V 4 335 ? 8.011 30.937 -28.702 1.00 56.46 ? 345 VAL d CA 1 +ATOM 40321 C C . VAL V 4 335 ? 7.796 30.186 -27.395 1.00 63.02 ? 345 VAL d C 1 +ATOM 40322 O O . VAL V 4 335 ? 8.063 28.977 -27.350 1.00 54.31 ? 345 VAL d O 1 +ATOM 40323 C CB . VAL V 4 335 ? 9.519 30.952 -29.050 1.00 55.93 ? 345 VAL d CB 1 +ATOM 40324 C CG1 . VAL V 4 335 ? 9.788 31.818 -30.248 1.00 61.70 ? 345 VAL d CG1 1 +ATOM 40325 C CG2 . VAL V 4 335 ? 10.360 31.363 -27.826 1.00 56.09 ? 345 VAL d CG2 1 +ATOM 40326 N N . LEU V 4 336 ? 7.336 30.857 -26.344 1.00 54.53 ? 346 LEU d N 1 +ATOM 40327 C CA . LEU V 4 336 ? 7.165 30.211 -25.053 1.00 52.01 ? 346 LEU d CA 1 +ATOM 40328 C C . LEU V 4 336 ? 5.993 29.235 -25.087 1.00 53.22 ? 346 LEU d C 1 +ATOM 40329 O O . LEU V 4 336 ? 4.887 29.605 -25.492 1.00 55.86 ? 346 LEU d O 1 +ATOM 40330 C CB . LEU V 4 336 ? 6.929 31.240 -23.966 1.00 50.41 ? 346 LEU d CB 1 +ATOM 40331 C CG . LEU V 4 336 ? 8.103 32.163 -23.687 1.00 54.13 ? 346 LEU d CG 1 +ATOM 40332 C CD1 . LEU V 4 336 ? 7.670 33.284 -22.745 1.00 51.89 ? 346 LEU d CD1 1 +ATOM 40333 C CD2 . LEU V 4 336 ? 9.282 31.387 -23.120 1.00 58.07 ? 346 LEU d CD2 1 +ATOM 40334 N N A PRO V 4 337 ? 6.184 27.991 -24.669 0.40 54.87 ? 347 PRO d N 1 +ATOM 40335 N N B PRO V 4 337 ? 6.192 27.984 -24.675 0.60 54.96 ? 347 PRO d N 1 +ATOM 40336 C CA A PRO V 4 337 ? 5.072 27.032 -24.706 0.40 54.13 ? 347 PRO d CA 1 +ATOM 40337 C CA B PRO V 4 337 ? 5.084 27.018 -24.692 0.60 54.23 ? 347 PRO d CA 1 +ATOM 40338 C C A PRO V 4 337 ? 4.101 27.356 -23.581 0.40 50.73 ? 347 PRO d C 1 +ATOM 40339 C C B PRO V 4 337 ? 4.113 27.332 -23.562 0.60 50.69 ? 347 PRO d C 1 +ATOM 40340 O O A PRO V 4 337 ? 4.515 27.668 -22.463 0.40 48.85 ? 347 PRO d O 1 +ATOM 40341 O O B PRO V 4 337 ? 4.525 27.641 -22.437 0.60 48.79 ? 347 PRO d O 1 +ATOM 40342 C CB A PRO V 4 337 ? 5.761 25.676 -24.506 0.40 49.31 ? 347 PRO d CB 1 +ATOM 40343 C CB B PRO V 4 337 ? 5.788 25.674 -24.490 0.60 49.29 ? 347 PRO d CB 1 +ATOM 40344 C CG A PRO V 4 337 ? 6.999 26.012 -23.724 0.40 59.16 ? 347 PRO d CG 1 +ATOM 40345 C CG B PRO V 4 337 ? 6.984 26.026 -23.644 0.60 59.25 ? 347 PRO d CG 1 +ATOM 40346 C CD A PRO V 4 337 ? 7.434 27.390 -24.184 0.40 56.78 ? 347 PRO d CD 1 +ATOM 40347 C CD B PRO V 4 337 ? 7.409 27.424 -24.060 0.60 56.91 ? 347 PRO d CD 1 +ATOM 40348 N N A ARG V 4 338 ? 2.808 27.362 -23.902 0.40 48.86 ? 348 ARG d N 1 +ATOM 40349 N N B ARG V 4 338 ? 2.820 27.314 -23.885 0.60 48.78 ? 348 ARG d N 1 +ATOM 40350 C CA A ARG V 4 338 ? 1.769 27.694 -22.931 0.40 52.71 ? 348 ARG d CA 1 +ATOM 40351 C CA B ARG V 4 338 ? 1.770 27.719 -22.956 0.60 52.86 ? 348 ARG d CA 1 +ATOM 40352 C C A ARG V 4 338 ? 0.482 27.025 -23.379 0.40 49.27 ? 348 ARG d C 1 +ATOM 40353 C C B ARG V 4 338 ? 0.480 27.031 -23.363 0.60 49.26 ? 348 ARG d C 1 +ATOM 40354 O O A ARG V 4 338 ? 0.187 27.006 -24.567 0.40 51.88 ? 348 ARG d O 1 +ATOM 40355 O O B ARG V 4 338 ? 0.202 26.887 -24.555 0.60 51.81 ? 348 ARG d O 1 +ATOM 40356 C CB A ARG V 4 338 ? 1.500 29.217 -22.825 0.40 54.94 ? 348 ARG d CB 1 +ATOM 40357 C CB B ARG V 4 338 ? 1.525 29.242 -22.960 0.60 55.02 ? 348 ARG d CB 1 +ATOM 40358 C CG A ARG V 4 338 ? 2.713 30.128 -22.684 0.40 57.12 ? 348 ARG d CG 1 +ATOM 40359 C CG B ARG V 4 338 ? 2.743 30.126 -22.716 0.60 57.27 ? 348 ARG d CG 1 +ATOM 40360 C CD A ARG V 4 338 ? 2.337 31.603 -22.809 0.40 53.94 ? 348 ARG d CD 1 +ATOM 40361 C CD B ARG V 4 338 ? 2.408 31.604 -22.819 0.60 53.93 ? 348 ARG d CD 1 +ATOM 40362 N NE A ARG V 4 338 ? 1.553 32.104 -21.681 0.40 53.23 ? 348 ARG d NE 1 +ATOM 40363 N NE B ARG V 4 338 ? 1.574 32.074 -21.714 0.60 53.22 ? 348 ARG d NE 1 +ATOM 40364 C CZ A ARG V 4 338 ? 1.348 33.394 -21.442 0.40 61.07 ? 348 ARG d CZ 1 +ATOM 40365 C CZ B ARG V 4 338 ? 1.391 33.354 -21.415 0.60 61.28 ? 348 ARG d CZ 1 +ATOM 40366 N NH1 A ARG V 4 338 ? 1.862 34.330 -22.228 0.40 51.58 ? 348 ARG d NH1 1 +ATOM 40367 N NH1 B ARG V 4 338 ? 1.983 34.316 -22.108 0.60 51.11 ? 348 ARG d NH1 1 +ATOM 40368 N NH2 A ARG V 4 338 ? 0.614 33.753 -20.391 0.40 49.11 ? 348 ARG d NH2 1 +ATOM 40369 N NH2 B ARG V 4 338 ? 0.599 33.677 -20.395 0.60 48.98 ? 348 ARG d NH2 1 +ATOM 40370 N N A GLY V 4 339 ? -0.298 26.513 -22.438 0.40 48.14 ? 349 GLY d N 1 +ATOM 40371 N N B GLY V 4 339 ? -0.310 26.617 -22.382 0.60 48.06 ? 349 GLY d N 1 +ATOM 40372 C CA A GLY V 4 339 ? -1.612 26.019 -22.790 0.40 47.00 ? 349 GLY d CA 1 +ATOM 40373 C CA B GLY V 4 339 ? -1.629 26.100 -22.658 0.60 46.96 ? 349 GLY d CA 1 +ATOM 40374 C C A GLY V 4 339 ? -2.573 27.169 -23.044 0.40 54.88 ? 349 GLY d C 1 +ATOM 40375 C C B GLY V 4 339 ? -2.584 27.226 -23.013 0.60 55.08 ? 349 GLY d C 1 +ATOM 40376 O O A GLY V 4 339 ? -2.195 28.337 -23.113 0.40 52.28 ? 349 GLY d O 1 +ATOM 40377 O O B GLY V 4 339 ? -2.209 28.391 -23.152 0.60 52.37 ? 349 GLY d O 1 +ATOM 40378 N N A ASN V 4 340 ? -3.849 26.822 -23.184 0.40 51.00 ? 350 ASN d N 1 +ATOM 40379 N N B ASN V 4 340 ? -3.852 26.862 -23.144 0.60 51.07 ? 350 ASN d N 1 +ATOM 40380 C CA A ASN V 4 340 ? -4.861 27.851 -23.366 0.40 51.10 ? 350 ASN d CA 1 +ATOM 40381 C CA B ASN V 4 340 ? -4.875 27.864 -23.379 0.60 51.12 ? 350 ASN d CA 1 +ATOM 40382 C C A ASN V 4 340 ? -4.932 28.765 -22.142 0.40 51.30 ? 350 ASN d C 1 +ATOM 40383 C C B ASN V 4 340 ? -5.018 28.772 -22.159 0.60 51.33 ? 350 ASN d C 1 +ATOM 40384 O O A ASN V 4 340 ? -4.818 28.307 -21.000 0.40 51.14 ? 350 ASN d O 1 +ATOM 40385 O O B ASN V 4 340 ? -4.924 28.315 -21.017 0.60 51.24 ? 350 ASN d O 1 +ATOM 40386 C CB A ASN V 4 340 ? -6.225 27.207 -23.620 0.40 51.33 ? 350 ASN d CB 1 +ATOM 40387 C CB B ASN V 4 340 ? -6.206 27.186 -23.702 0.60 51.34 ? 350 ASN d CB 1 +ATOM 40388 C CG A ASN V 4 340 ? -7.142 28.095 -24.447 0.40 51.27 ? 350 ASN d CG 1 +ATOM 40389 C CG B ASN V 4 340 ? -7.127 28.081 -24.499 0.60 51.24 ? 350 ASN d CG 1 +ATOM 40390 O OD1 A ASN V 4 340 ? -6.762 28.544 -25.514 0.40 54.53 ? 350 ASN d OD1 1 +ATOM 40391 O OD1 B ASN V 4 340 ? -6.783 28.494 -25.594 0.60 54.73 ? 350 ASN d OD1 1 +ATOM 40392 N ND2 A ASN V 4 340 ? -8.346 28.350 -23.956 0.40 52.50 ? 350 ASN d ND2 1 +ATOM 40393 N ND2 B ASN V 4 340 ? -8.300 28.384 -23.954 0.60 52.52 ? 350 ASN d ND2 1 +ATOM 40394 N N A ALA V 4 341 ? -5.106 30.074 -22.396 0.40 53.11 ? 351 ALA d N 1 +ATOM 40395 N N B ALA V 4 341 ? -5.217 30.073 -22.414 0.60 53.21 ? 351 ALA d N 1 +ATOM 40396 C CA A ALA V 4 341 ? -5.409 31.102 -21.394 0.40 48.56 ? 351 ALA d CA 1 +ATOM 40397 C CA B ALA V 4 341 ? -5.533 31.088 -21.401 0.60 48.25 ? 351 ALA d CA 1 +ATOM 40398 C C A ALA V 4 341 ? -4.269 31.443 -20.431 0.40 52.52 ? 351 ALA d C 1 +ATOM 40399 C C B ALA V 4 341 ? -4.380 31.435 -20.458 0.60 52.50 ? 351 ALA d C 1 +ATOM 40400 O O A ALA V 4 341 ? -3.972 32.624 -20.215 0.40 58.80 ? 351 ALA d O 1 +ATOM 40401 O O B ALA V 4 341 ? -4.056 32.616 -20.284 0.60 59.11 ? 351 ALA d O 1 +ATOM 40402 C CB A ALA V 4 341 ? -6.639 30.710 -20.572 0.40 46.57 ? 351 ALA d CB 1 +ATOM 40403 C CB B ALA V 4 341 ? -6.748 30.665 -20.573 0.60 46.53 ? 351 ALA d CB 1 +ATOM 40404 N N A LEU V 4 342 ? -3.648 30.443 -19.826 0.40 51.44 ? 352 LEU d N 1 +ATOM 40405 N N B LEU V 4 342 ? -3.764 30.439 -19.835 0.60 51.36 ? 352 LEU d N 1 +ATOM 40406 C CA A LEU V 4 342 ? -2.612 30.669 -18.823 0.40 48.07 ? 352 LEU d CA 1 +ATOM 40407 C CA B LEU V 4 342 ? -2.706 30.670 -18.847 0.60 47.90 ? 352 LEU d CA 1 +ATOM 40408 C C A LEU V 4 342 ? -1.331 31.192 -19.461 0.40 53.59 ? 352 LEU d C 1 +ATOM 40409 C C B LEU V 4 342 ? -1.405 31.173 -19.471 0.60 53.61 ? 352 LEU d C 1 +ATOM 40410 O O A LEU V 4 342 ? -0.507 31.809 -18.790 0.40 55.96 ? 352 LEU d O 1 +ATOM 40411 O O B LEU V 4 342 ? -0.566 31.772 -18.795 0.60 56.11 ? 352 LEU d O 1 +ATOM 40412 C CB A LEU V 4 342 ? -2.330 29.370 -18.044 0.40 50.34 ? 352 LEU d CB 1 +ATOM 40413 C CB B LEU V 4 342 ? -2.433 29.378 -18.053 0.60 50.45 ? 352 LEU d CB 1 +ATOM 40414 C CG A LEU V 4 342 ? -3.533 28.809 -17.285 0.40 52.10 ? 352 LEU d CG 1 +ATOM 40415 C CG B LEU V 4 342 ? -3.641 28.856 -17.272 0.60 52.31 ? 352 LEU d CG 1 +ATOM 40416 C CD1 A LEU V 4 342 ? -3.137 27.605 -16.378 0.40 48.99 ? 352 LEU d CD1 1 +ATOM 40417 C CD1 B LEU V 4 342 ? -3.269 27.675 -16.383 0.60 48.91 ? 352 LEU d CD1 1 +ATOM 40418 C CD2 A LEU V 4 342 ? -4.222 29.935 -16.478 0.40 51.15 ? 352 LEU d CD2 1 +ATOM 40419 C CD2 B LEU V 4 342 ? -4.268 30.001 -16.452 0.60 51.04 ? 352 LEU d CD2 1 +ATOM 40420 O OXT A LEU V 4 342 ? -1.088 31.021 -20.657 0.40 54.56 ? 352 LEU d OXT 1 +ATOM 40421 O OXT B LEU V 4 342 ? -1.155 30.995 -20.662 0.60 54.72 ? 352 LEU d OXT 1 +ATOM 40422 N N . GLY W 5 6 ? 36.708 15.290 34.287 1.00 122.88 ? 6 GLY e N 1 +ATOM 40423 C CA . GLY W 5 6 ? 37.876 16.089 34.609 1.00 128.88 ? 6 GLY e CA 1 +ATOM 40424 C C . GLY W 5 6 ? 37.604 17.580 34.549 1.00 124.90 ? 6 GLY e C 1 +ATOM 40425 O O . GLY W 5 6 ? 38.105 18.342 35.374 1.00 133.05 ? 6 GLY e O 1 +ATOM 40426 N N . GLU W 5 7 ? 36.807 17.990 33.564 1.00 132.92 ? 7 GLU e N 1 +ATOM 40427 C CA . GLU W 5 7 ? 36.414 19.381 33.390 1.00 125.54 ? 7 GLU e CA 1 +ATOM 40428 C C . GLU W 5 7 ? 35.223 19.720 34.292 1.00 129.86 ? 7 GLU e C 1 +ATOM 40429 O O . GLU W 5 7 ? 34.437 18.851 34.683 1.00 126.78 ? 7 GLU e O 1 +ATOM 40430 C CB . GLU W 5 7 ? 36.072 19.660 31.918 1.00 128.58 ? 7 GLU e CB 1 +ATOM 40431 C CG . GLU W 5 7 ? 37.281 19.930 31.001 1.00 137.27 ? 7 GLU e CG 1 +ATOM 40432 C CD . GLU W 5 7 ? 37.640 18.754 30.094 1.00 121.42 ? 7 GLU e CD 1 +ATOM 40433 O OE1 . GLU W 5 7 ? 36.862 17.779 30.036 1.00 102.69 ? 7 GLU e OE1 1 +ATOM 40434 O OE2 . GLU W 5 7 ? 38.706 18.805 29.440 1.00 111.58 ? 7 GLU e OE2 1 +ATOM 40435 N N . ARG W 5 8 ? 35.098 21.037 34.627 1.00 106.26 ? 8 ARG e N 1 +ATOM 40436 C CA . ARG W 5 8 ? 34.080 21.528 35.554 1.00 108.84 ? 8 ARG e CA 1 +ATOM 40437 C C . ARG W 5 8 ? 32.738 21.699 34.834 1.00 106.50 ? 8 ARG e C 1 +ATOM 40438 O O . ARG W 5 8 ? 32.707 22.123 33.676 1.00 106.79 ? 8 ARG e O 1 +ATOM 40439 C CB . ARG W 5 8 ? 34.533 22.865 36.168 1.00 114.41 ? 8 ARG e CB 1 +ATOM 40440 C CG . ARG W 5 8 ? 33.709 23.365 37.370 1.00 120.46 ? 8 ARG e CG 1 +ATOM 40441 C CD . ARG W 5 8 ? 34.511 24.294 38.298 1.00 99.13 ? 8 ARG e CD 1 +ATOM 40442 N NE . ARG W 5 8 ? 34.552 25.681 37.843 1.00 116.34 ? 8 ARG e NE 1 +ATOM 40443 C CZ . ARG W 5 8 ? 33.728 26.638 38.257 1.00 121.91 ? 8 ARG e CZ 1 +ATOM 40444 N NH1 . ARG W 5 8 ? 32.764 26.392 39.131 1.00 121.15 ? 8 ARG e NH1 1 +ATOM 40445 N NH2 . ARG W 5 8 ? 33.873 27.872 37.781 1.00 105.00 ? 8 ARG e NH2 1 +ATOM 40446 N N . PRO W 5 9 ? 31.618 21.372 35.490 1.00 95.96 ? 9 PRO e N 1 +ATOM 40447 C CA . PRO W 5 9 ? 30.310 21.457 34.821 1.00 98.40 ? 9 PRO e CA 1 +ATOM 40448 C C . PRO W 5 9 ? 29.964 22.866 34.359 1.00 111.50 ? 9 PRO e C 1 +ATOM 40449 O O . PRO W 5 9 ? 30.382 23.861 34.956 1.00 113.50 ? 9 PRO e O 1 +ATOM 40450 C CB . PRO W 5 9 ? 29.329 20.983 35.900 1.00 92.17 ? 9 PRO e CB 1 +ATOM 40451 C CG . PRO W 5 9 ? 30.132 20.151 36.803 1.00 91.66 ? 9 PRO e CG 1 +ATOM 40452 C CD . PRO W 5 9 ? 31.512 20.736 36.815 1.00 97.57 ? 9 PRO e CD 1 +ATOM 40453 N N . PHE W 5 10 ? 29.173 22.937 33.280 1.00 112.25 ? 10 PHE e N 1 +ATOM 40454 C CA . PHE W 5 10 ? 28.703 24.227 32.781 1.00 101.75 ? 10 PHE e CA 1 +ATOM 40455 C C . PHE W 5 10 ? 27.679 24.849 33.716 1.00 84.78 ? 10 PHE e C 1 +ATOM 40456 O O . PHE W 5 10 ? 27.642 26.073 33.868 1.00 106.70 ? 10 PHE e O 1 +ATOM 40457 C CB . PHE W 5 10 ? 28.096 24.082 31.382 1.00 102.38 ? 10 PHE e CB 1 +ATOM 40458 C CG . PHE W 5 10 ? 29.111 23.885 30.297 1.00 122.48 ? 10 PHE e CG 1 +ATOM 40459 C CD1 . PHE W 5 10 ? 29.952 24.923 29.927 1.00 106.30 ? 10 PHE e CD1 1 +ATOM 40460 C CD2 . PHE W 5 10 ? 29.216 22.667 29.640 1.00 111.08 ? 10 PHE e CD2 1 +ATOM 40461 C CE1 . PHE W 5 10 ? 30.888 24.747 28.936 1.00 83.08 ? 10 PHE e CE1 1 +ATOM 40462 C CE2 . PHE W 5 10 ? 30.149 22.485 28.643 1.00 92.80 ? 10 PHE e CE2 1 +ATOM 40463 C CZ . PHE W 5 10 ? 30.985 23.528 28.289 1.00 102.85 ? 10 PHE e CZ 1 +ATOM 40464 N N . SER W 5 11 ? 26.824 24.029 34.329 1.00 97.75 ? 11 SER e N 1 +ATOM 40465 C CA . SER W 5 11 ? 25.788 24.565 35.203 1.00 107.86 ? 11 SER e CA 1 +ATOM 40466 C C . SER W 5 11 ? 26.380 25.313 36.391 1.00 107.52 ? 11 SER e C 1 +ATOM 40467 O O . SER W 5 11 ? 25.757 26.251 36.899 1.00 92.12 ? 11 SER e O 1 +ATOM 40468 C CB . SER W 5 11 ? 24.872 23.440 35.676 1.00 99.98 ? 11 SER e CB 1 +ATOM 40469 O OG . SER W 5 11 ? 25.625 22.267 35.914 1.00 125.86 ? 11 SER e OG 1 +ATOM 40470 N N . ASP W 5 12 ? 27.579 24.926 36.841 1.00 77.19 ? 12 ASP e N 1 +ATOM 40471 C CA . ASP W 5 12 ? 28.261 25.695 37.880 1.00 104.97 ? 12 ASP e CA 1 +ATOM 40472 C C . ASP W 5 12 ? 28.886 26.963 37.317 1.00 99.66 ? 12 ASP e C 1 +ATOM 40473 O O . ASP W 5 12 ? 28.920 27.997 37.995 1.00 84.09 ? 12 ASP e O 1 +ATOM 40474 C CB . ASP W 5 12 ? 29.344 24.854 38.553 1.00 103.05 ? 12 ASP e CB 1 +ATOM 40475 C CG . ASP W 5 12 ? 28.834 23.522 39.026 1.00 118.78 ? 12 ASP e CG 1 +ATOM 40476 O OD1 . ASP W 5 12 ? 27.597 23.345 39.069 1.00 124.42 ? 12 ASP e OD1 1 +ATOM 40477 O OD2 . ASP W 5 12 ? 29.671 22.649 39.345 1.00 116.64 ? 12 ASP e OD2 1 +ATOM 40478 N N . ILE W 5 13 ? 29.401 26.894 36.090 1.00 93.78 ? 13 ILE e N 1 +ATOM 40479 C CA . ILE W 5 13 ? 30.068 28.045 35.491 1.00 95.09 ? 13 ILE e CA 1 +ATOM 40480 C C . ILE W 5 13 ? 29.062 29.152 35.206 1.00 90.98 ? 13 ILE e C 1 +ATOM 40481 O O . ILE W 5 13 ? 29.221 30.288 35.661 1.00 84.62 ? 13 ILE e O 1 +ATOM 40482 C CB . ILE W 5 13 ? 30.828 27.626 34.221 1.00 91.43 ? 13 ILE e CB 1 +ATOM 40483 C CG1 . ILE W 5 13 ? 32.028 26.749 34.596 1.00 92.03 ? 13 ILE e CG1 1 +ATOM 40484 C CG2 . ILE W 5 13 ? 31.271 28.848 33.436 1.00 73.37 ? 13 ILE e CG2 1 +ATOM 40485 C CD1 . ILE W 5 13 ? 32.742 26.140 33.414 1.00 102.01 ? 13 ILE e CD1 1 +ATOM 40486 N N . ILE W 5 14 ? 27.998 28.834 34.466 1.00 90.50 ? 14 ILE e N 1 +ATOM 40487 C CA . ILE W 5 14 ? 27.073 29.878 34.039 1.00 101.72 ? 14 ILE e CA 1 +ATOM 40488 C C . ILE W 5 14 ? 26.155 30.361 35.154 1.00 90.67 ? 14 ILE e C 1 +ATOM 40489 O O . ILE W 5 14 ? 25.412 31.329 34.951 1.00 92.03 ? 14 ILE e O 1 +ATOM 40490 C CB . ILE W 5 14 ? 26.236 29.405 32.835 1.00 95.11 ? 14 ILE e CB 1 +ATOM 40491 C CG1 . ILE W 5 14 ? 25.295 28.273 33.246 1.00 87.34 ? 14 ILE e CG1 1 +ATOM 40492 C CG2 . ILE W 5 14 ? 27.147 28.979 31.702 1.00 87.87 ? 14 ILE e CG2 1 +ATOM 40493 C CD1 . ILE W 5 14 ? 23.939 28.344 32.560 1.00 109.05 ? 14 ILE e CD1 1 +ATOM 40494 N N . THR W 5 15 ? 26.174 29.719 36.321 1.00 89.84 ? 15 THR e N 1 +ATOM 40495 C CA . THR W 5 15 ? 25.485 30.242 37.497 1.00 86.89 ? 15 THR e CA 1 +ATOM 40496 C C . THR W 5 15 ? 26.434 30.929 38.468 1.00 92.48 ? 15 THR e C 1 +ATOM 40497 O O . THR W 5 15 ? 25.991 31.407 39.515 1.00 89.02 ? 15 THR e O 1 +ATOM 40498 C CB . THR W 5 15 ? 24.717 29.131 38.227 1.00 83.62 ? 15 THR e CB 1 +ATOM 40499 O OG1 . THR W 5 15 ? 25.607 28.066 38.591 1.00 86.11 ? 15 THR e OG1 1 +ATOM 40500 C CG2 . THR W 5 15 ? 23.588 28.594 37.353 1.00 96.86 ? 15 THR e CG2 1 +ATOM 40501 N N . SER W 5 16 ? 27.720 30.995 38.140 1.00 88.14 ? 16 SER e N 1 +ATOM 40502 C CA . SER W 5 16 ? 28.708 31.653 38.976 1.00 94.55 ? 16 SER e CA 1 +ATOM 40503 C C . SER W 5 16 ? 28.791 33.137 38.643 1.00 102.10 ? 16 SER e C 1 +ATOM 40504 O O . SER W 5 16 ? 28.500 33.565 37.522 1.00 97.62 ? 16 SER e O 1 +ATOM 40505 C CB . SER W 5 16 ? 30.082 31.012 38.799 1.00 76.99 ? 16 SER e CB 1 +ATOM 40506 O OG . SER W 5 16 ? 30.817 31.683 37.795 1.00 89.10 ? 16 SER e OG 1 +ATOM 40507 N N . VAL W 5 17 ? 29.212 33.922 39.635 1.00 86.48 ? 17 VAL e N 1 +ATOM 40508 C CA . VAL W 5 17 ? 29.294 35.366 39.458 1.00 76.01 ? 17 VAL e CA 1 +ATOM 40509 C C . VAL W 5 17 ? 30.462 35.732 38.555 1.00 71.62 ? 17 VAL e C 1 +ATOM 40510 O O . VAL W 5 17 ? 30.368 36.666 37.751 1.00 76.26 ? 17 VAL e O 1 +ATOM 40511 C CB . VAL W 5 17 ? 29.388 36.056 40.836 1.00 92.72 ? 17 VAL e CB 1 +ATOM 40512 C CG1 . VAL W 5 17 ? 29.674 37.553 40.697 1.00 81.72 ? 17 VAL e CG1 1 +ATOM 40513 C CG2 . VAL W 5 17 ? 28.110 35.830 41.619 1.00 82.15 ? 17 VAL e CG2 1 +ATOM 40514 N N . ARG W 5 18 ? 31.579 35.008 38.665 1.00 74.38 ? 18 ARG e N 1 +ATOM 40515 C CA . ARG W 5 18 ? 32.757 35.361 37.872 1.00 89.14 ? 18 ARG e CA 1 +ATOM 40516 C C . ARG W 5 18 ? 32.471 35.245 36.377 1.00 91.00 ? 18 ARG e C 1 +ATOM 40517 O O . ARG W 5 18 ? 32.946 36.066 35.579 1.00 82.18 ? 18 ARG e O 1 +ATOM 40518 C CB . ARG W 5 18 ? 33.952 34.485 38.261 1.00 82.85 ? 18 ARG e CB 1 +ATOM 40519 C CG . ARG W 5 18 ? 35.226 34.813 37.481 1.00 91.67 ? 18 ARG e CG 1 +ATOM 40520 C CD . ARG W 5 18 ? 36.401 33.911 37.840 1.00 125.44 ? 18 ARG e CD 1 +ATOM 40521 N NE . ARG W 5 18 ? 37.155 33.516 36.651 1.00 152.87 ? 18 ARG e NE 1 +ATOM 40522 C CZ . ARG W 5 18 ? 38.334 32.904 36.668 1.00 160.08 ? 18 ARG e CZ 1 +ATOM 40523 N NH1 . ARG W 5 18 ? 38.956 32.628 37.807 1.00 147.28 ? 18 ARG e NH1 1 +ATOM 40524 N NH2 . ARG W 5 18 ? 38.906 32.564 35.513 1.00 135.60 ? 18 ARG e NH2 1 +ATOM 40525 N N . TYR W 5 19 ? 31.693 34.230 35.984 1.00 80.78 ? 19 TYR e N 1 +ATOM 40526 C CA . TYR W 5 19 ? 31.286 34.082 34.590 1.00 73.94 ? 19 TYR e CA 1 +ATOM 40527 C C . TYR W 5 19 ? 30.521 35.313 34.108 1.00 81.77 ? 19 TYR e C 1 +ATOM 40528 O O . TYR W 5 19 ? 30.840 35.891 33.056 1.00 71.39 ? 19 TYR e O 1 +ATOM 40529 C CB . TYR W 5 19 ? 30.436 32.816 34.427 1.00 71.19 ? 19 TYR e CB 1 +ATOM 40530 C CG . TYR W 5 19 ? 29.876 32.653 33.024 1.00 100.06 ? 19 TYR e CG 1 +ATOM 40531 C CD1 . TYR W 5 19 ? 30.614 32.022 32.030 1.00 72.57 ? 19 TYR e CD1 1 +ATOM 40532 C CD2 . TYR W 5 19 ? 28.621 33.144 32.694 1.00 73.86 ? 19 TYR e CD2 1 +ATOM 40533 C CE1 . TYR W 5 19 ? 30.124 31.884 30.763 1.00 77.37 ? 19 TYR e CE1 1 +ATOM 40534 C CE2 . TYR W 5 19 ? 28.125 33.015 31.421 1.00 78.31 ? 19 TYR e CE2 1 +ATOM 40535 C CZ . TYR W 5 19 ? 28.882 32.386 30.455 1.00 91.43 ? 19 TYR e CZ 1 +ATOM 40536 O OH . TYR W 5 19 ? 28.395 32.249 29.171 1.00 91.06 ? 19 TYR e OH 1 +ATOM 40537 N N . TRP W 5 20 ? 29.516 35.742 34.881 1.00 86.40 ? 20 TRP e N 1 +ATOM 40538 C CA . TRP W 5 20 ? 28.670 36.846 34.439 1.00 84.40 ? 20 TRP e CA 1 +ATOM 40539 C C . TRP W 5 20 ? 29.397 38.178 34.488 1.00 80.93 ? 20 TRP e C 1 +ATOM 40540 O O . TRP W 5 20 ? 29.137 39.053 33.656 1.00 86.16 ? 20 TRP e O 1 +ATOM 40541 C CB . TRP W 5 20 ? 27.388 36.896 35.265 1.00 72.80 ? 20 TRP e CB 1 +ATOM 40542 C CG . TRP W 5 20 ? 26.422 35.856 34.837 1.00 84.01 ? 20 TRP e CG 1 +ATOM 40543 C CD1 . TRP W 5 20 ? 26.032 34.758 35.537 1.00 83.92 ? 20 TRP e CD1 1 +ATOM 40544 C CD2 . TRP W 5 20 ? 25.745 35.789 33.575 1.00 113.18 ? 20 TRP e CD2 1 +ATOM 40545 N NE1 . TRP W 5 20 ? 25.139 34.015 34.801 1.00 93.95 ? 20 TRP e NE1 1 +ATOM 40546 C CE2 . TRP W 5 20 ? 24.946 34.626 33.592 1.00 110.01 ? 20 TRP e CE2 1 +ATOM 40547 C CE3 . TRP W 5 20 ? 25.731 36.604 32.434 1.00 89.91 ? 20 TRP e CE3 1 +ATOM 40548 C CZ2 . TRP W 5 20 ? 24.141 34.259 32.516 1.00 112.88 ? 20 TRP e CZ2 1 +ATOM 40549 C CZ3 . TRP W 5 20 ? 24.934 36.238 31.368 1.00 92.54 ? 20 TRP e CZ3 1 +ATOM 40550 C CH2 . TRP W 5 20 ? 24.149 35.076 31.415 1.00 120.37 ? 20 TRP e CH2 1 +ATOM 40551 N N . VAL W 5 21 ? 30.307 38.360 35.438 1.00 85.84 ? 21 VAL e N 1 +ATOM 40552 C CA . VAL W 5 21 ? 31.110 39.579 35.420 1.00 93.11 ? 21 VAL e CA 1 +ATOM 40553 C C . VAL W 5 21 ? 31.924 39.636 34.137 1.00 78.07 ? 21 VAL e C 1 +ATOM 40554 O O . VAL W 5 21 ? 31.966 40.660 33.446 1.00 81.29 ? 21 VAL e O 1 +ATOM 40555 C CB . VAL W 5 21 ? 32.007 39.658 36.675 1.00 105.06 ? 21 VAL e CB 1 +ATOM 40556 C CG1 . VAL W 5 21 ? 33.118 40.697 36.489 1.00 75.39 ? 21 VAL e CG1 1 +ATOM 40557 C CG2 . VAL W 5 21 ? 31.164 39.981 37.898 1.00 76.39 ? 21 VAL e CG2 1 +ATOM 40558 N N . ILE W 5 22 ? 32.545 38.517 33.776 1.00 79.63 ? 22 ILE e N 1 +ATOM 40559 C CA . ILE W 5 22 ? 33.363 38.471 32.568 1.00 90.66 ? 22 ILE e CA 1 +ATOM 40560 C C . ILE W 5 22 ? 32.507 38.710 31.327 1.00 89.07 ? 22 ILE e C 1 +ATOM 40561 O O . ILE W 5 22 ? 32.833 39.546 30.476 1.00 77.14 ? 22 ILE e O 1 +ATOM 40562 C CB . ILE W 5 22 ? 34.108 37.130 32.486 1.00 82.36 ? 22 ILE e CB 1 +ATOM 40563 C CG1 . ILE W 5 22 ? 35.269 37.118 33.483 1.00 90.56 ? 22 ILE e CG1 1 +ATOM 40564 C CG2 . ILE W 5 22 ? 34.581 36.882 31.064 1.00 90.88 ? 22 ILE e CG2 1 +ATOM 40565 C CD1 . ILE W 5 22 ? 35.868 35.742 33.703 1.00 97.96 ? 22 ILE e CD1 1 +ATOM 40566 N N . HIS W 5 23 ? 31.385 37.997 31.220 1.00 77.26 ? 23 HIS e N 1 +ATOM 40567 C CA . HIS W 5 23 ? 30.658 37.949 29.957 1.00 89.83 ? 23 HIS e CA 1 +ATOM 40568 C C . HIS W 5 23 ? 29.647 39.068 29.789 1.00 94.72 ? 23 HIS e C 1 +ATOM 40569 O O . HIS W 5 23 ? 29.213 39.321 28.654 1.00 79.78 ? 23 HIS e O 1 +ATOM 40570 C CB . HIS W 5 23 ? 29.987 36.585 29.802 1.00 81.40 ? 23 HIS e CB 1 +ATOM 40571 C CG . HIS W 5 23 ? 30.980 35.497 29.577 1.00 83.73 ? 23 HIS e CG 1 +ATOM 40572 N ND1 . HIS W 5 23 ? 31.517 34.758 30.608 1.00 82.18 ? 23 HIS e ND1 1 +ATOM 40573 C CD2 . HIS W 5 23 ? 31.623 35.105 28.455 1.00 73.04 ? 23 HIS e CD2 1 +ATOM 40574 C CE1 . HIS W 5 23 ? 32.418 33.925 30.123 1.00 84.06 ? 23 HIS e CE1 1 +ATOM 40575 N NE2 . HIS W 5 23 ? 32.494 34.112 28.819 1.00 86.14 ? 23 HIS e NE2 1 +ATOM 40576 N N . SER W 5 24 ? 29.282 39.757 30.872 1.00 75.21 ? 24 SER e N 1 +ATOM 40577 C CA . SER W 5 24 ? 28.497 40.972 30.719 1.00 72.98 ? 24 SER e CA 1 +ATOM 40578 C C . SER W 5 24 ? 29.294 42.056 30.011 1.00 76.82 ? 24 SER e C 1 +ATOM 40579 O O . SER W 5 24 ? 28.704 43.020 29.516 1.00 68.53 ? 24 SER e O 1 +ATOM 40580 C CB . SER W 5 24 ? 28.015 41.469 32.083 1.00 90.06 ? 24 SER e CB 1 +ATOM 40581 O OG . SER W 5 24 ? 29.119 41.837 32.891 1.00 95.03 ? 24 SER e OG 1 +ATOM 40582 N N . ILE W 5 25 ? 30.619 41.907 29.942 1.00 71.29 ? 25 ILE e N 1 +ATOM 40583 C CA . ILE W 5 25 ? 31.469 42.826 29.197 1.00 83.83 ? 25 ILE e CA 1 +ATOM 40584 C C . ILE W 5 25 ? 31.693 42.298 27.778 1.00 107.92 ? 25 ILE e C 1 +ATOM 40585 O O . ILE W 5 25 ? 31.405 42.997 26.796 1.00 86.41 ? 25 ILE e O 1 +ATOM 40586 C CB . ILE W 5 25 ? 32.809 43.057 29.924 1.00 84.28 ? 25 ILE e CB 1 +ATOM 40587 C CG1 . ILE W 5 25 ? 32.581 43.784 31.255 1.00 112.28 ? 25 ILE e CG1 1 +ATOM 40588 C CG2 . ILE W 5 25 ? 33.756 43.876 29.062 1.00 90.31 ? 25 ILE e CG2 1 +ATOM 40589 C CD1 . ILE W 5 25 ? 31.897 45.129 31.104 1.00 95.48 ? 25 ILE e CD1 1 +ATOM 40590 N N . THR W 5 26 ? 32.201 41.060 27.656 1.00 80.55 ? 26 THR e N 1 +ATOM 40591 C CA . THR W 5 26 ? 32.674 40.584 26.353 1.00 87.81 ? 26 THR e CA 1 +ATOM 40592 C C . THR W 5 26 ? 31.533 40.447 25.343 1.00 75.52 ? 26 THR e C 1 +ATOM 40593 O O . THR W 5 26 ? 31.696 40.790 24.167 1.00 71.81 ? 26 THR e O 1 +ATOM 40594 C CB . THR W 5 26 ? 33.423 39.252 26.503 1.00 89.62 ? 26 THR e CB 1 +ATOM 40595 O OG1 . THR W 5 26 ? 32.605 38.294 27.194 1.00 87.29 ? 26 THR e OG1 1 +ATOM 40596 C CG2 . THR W 5 26 ? 34.730 39.442 27.265 1.00 77.99 ? 26 THR e CG2 1 +ATOM 40597 N N . ILE W 5 27 ? 30.374 39.969 25.784 1.00 70.63 ? 27 ILE e N 1 +ATOM 40598 C CA . ILE W 5 27 ? 29.248 39.666 24.904 1.00 65.60 ? 27 ILE e CA 1 +ATOM 40599 C C . ILE W 5 27 ? 28.687 40.939 24.262 1.00 71.24 ? 27 ILE e C 1 +ATOM 40600 O O . ILE W 5 27 ? 28.488 40.960 23.037 1.00 78.29 ? 27 ILE e O 1 +ATOM 40601 C CB . ILE W 5 27 ? 28.195 38.844 25.675 1.00 70.30 ? 27 ILE e CB 1 +ATOM 40602 C CG1 . ILE W 5 27 ? 28.742 37.427 25.918 1.00 72.75 ? 27 ILE e CG1 1 +ATOM 40603 C CG2 . ILE W 5 27 ? 26.838 38.825 24.980 1.00 55.26 ? 27 ILE e CG2 1 +ATOM 40604 C CD1 . ILE W 5 27 ? 27.800 36.504 26.650 1.00 78.27 ? 27 ILE e CD1 1 +ATOM 40605 N N . PRO W 5 28 ? 28.443 42.034 24.997 1.00 96.70 ? 28 PRO e N 1 +ATOM 40606 C CA . PRO W 5 28 ? 28.063 43.278 24.296 1.00 71.83 ? 28 PRO e CA 1 +ATOM 40607 C C . PRO W 5 28 ? 29.174 43.856 23.440 1.00 78.04 ? 28 PRO e C 1 +ATOM 40608 O O . PRO W 5 28 ? 28.891 44.424 22.373 1.00 71.09 ? 28 PRO e O 1 +ATOM 40609 C CB . PRO W 5 28 ? 27.678 44.227 25.441 1.00 82.56 ? 28 PRO e CB 1 +ATOM 40610 C CG . PRO W 5 28 ? 27.328 43.329 26.577 1.00 69.43 ? 28 PRO e CG 1 +ATOM 40611 C CD . PRO W 5 28 ? 28.276 42.173 26.460 1.00 80.30 ? 28 PRO e CD 1 +ATOM 40612 N N . ALA W 5 29 ? 30.434 43.737 23.863 1.00 70.60 ? 29 ALA e N 1 +ATOM 40613 C CA . ALA W 5 29 ? 31.525 44.235 23.025 1.00 84.43 ? 29 ALA e CA 1 +ATOM 40614 C C . ALA W 5 29 ? 31.553 43.543 21.655 1.00 81.70 ? 29 ALA e C 1 +ATOM 40615 O O . ALA W 5 29 ? 31.783 44.193 20.627 1.00 76.76 ? 29 ALA e O 1 +ATOM 40616 C CB . ALA W 5 29 ? 32.860 44.066 23.748 1.00 74.00 ? 29 ALA e CB 1 +ATOM 40617 N N . LEU W 5 30 ? 31.326 42.226 21.611 1.00 71.49 ? 30 LEU e N 1 +ATOM 40618 C CA . LEU W 5 30 ? 31.301 41.544 20.318 1.00 69.53 ? 30 LEU e CA 1 +ATOM 40619 C C . LEU W 5 30 ? 30.070 41.947 19.512 1.00 72.62 ? 30 LEU e C 1 +ATOM 40620 O O . LEU W 5 30 ? 30.171 42.249 18.315 1.00 69.27 ? 30 LEU e O 1 +ATOM 40621 C CB . LEU W 5 30 ? 31.349 40.032 20.510 1.00 75.48 ? 30 LEU e CB 1 +ATOM 40622 C CG . LEU W 5 30 ? 32.686 39.476 20.983 1.00 77.28 ? 30 LEU e CG 1 +ATOM 40623 C CD1 . LEU W 5 30 ? 32.500 38.068 21.494 1.00 80.48 ? 30 LEU e CD1 1 +ATOM 40624 C CD2 . LEU W 5 30 ? 33.689 39.513 19.850 1.00 72.84 ? 30 LEU e CD2 1 +ATOM 40625 N N . PHE W 5 31 ? 28.903 41.985 20.166 1.00 62.01 ? 31 PHE e N 1 +ATOM 40626 C CA . PHE W 5 31 ? 27.662 42.353 19.488 1.00 61.89 ? 31 PHE e CA 1 +ATOM 40627 C C . PHE W 5 31 ? 27.747 43.753 18.889 1.00 64.07 ? 31 PHE e C 1 +ATOM 40628 O O . PHE W 5 31 ? 27.354 43.977 17.735 1.00 68.63 ? 31 PHE e O 1 +ATOM 40629 C CB . PHE W 5 31 ? 26.506 42.257 20.478 1.00 61.80 ? 31 PHE e CB 1 +ATOM 40630 C CG . PHE W 5 31 ? 25.154 42.515 19.880 1.00 75.35 ? 31 PHE e CG 1 +ATOM 40631 C CD1 . PHE W 5 31 ? 24.696 43.810 19.693 1.00 62.08 ? 31 PHE e CD1 1 +ATOM 40632 C CD2 . PHE W 5 31 ? 24.326 41.453 19.525 1.00 67.57 ? 31 PHE e CD2 1 +ATOM 40633 C CE1 . PHE W 5 31 ? 23.445 44.050 19.171 1.00 69.21 ? 31 PHE e CE1 1 +ATOM 40634 C CE2 . PHE W 5 31 ? 23.071 41.690 18.990 1.00 67.62 ? 31 PHE e CE2 1 +ATOM 40635 C CZ . PHE W 5 31 ? 22.632 42.988 18.814 1.00 68.67 ? 31 PHE e CZ 1 +ATOM 40636 N N . ILE W 5 32 ? 28.269 44.707 19.661 1.00 66.48 ? 32 ILE e N 1 +ATOM 40637 C CA . ILE W 5 32 ? 28.413 46.079 19.186 1.00 66.98 ? 32 ILE e CA 1 +ATOM 40638 C C . ILE W 5 32 ? 29.432 46.154 18.056 1.00 64.08 ? 32 ILE e C 1 +ATOM 40639 O O . ILE W 5 32 ? 29.246 46.893 17.083 1.00 64.64 ? 32 ILE e O 1 +ATOM 40640 C CB . ILE W 5 32 ? 28.794 47.006 20.360 1.00 79.59 ? 32 ILE e CB 1 +ATOM 40641 C CG1 . ILE W 5 32 ? 27.604 47.173 21.310 1.00 73.15 ? 32 ILE e CG1 1 +ATOM 40642 C CG2 . ILE W 5 32 ? 29.312 48.352 19.844 1.00 61.78 ? 32 ILE e CG2 1 +ATOM 40643 C CD1 . ILE W 5 32 ? 27.970 47.750 22.672 1.00 98.60 ? 32 ILE e CD1 1 +ATOM 40644 N N . ALA W 5 33 ? 30.525 45.395 18.163 1.00 61.23 ? 33 ALA e N 1 +ATOM 40645 C CA . ALA W 5 33 ? 31.518 45.401 17.094 1.00 72.14 ? 33 ALA e CA 1 +ATOM 40646 C C . ALA W 5 33 ? 30.929 44.855 15.786 1.00 85.66 ? 33 ALA e C 1 +ATOM 40647 O O . ALA W 5 33 ? 31.172 45.410 14.706 1.00 71.74 ? 33 ALA e O 1 +ATOM 40648 C CB . ALA W 5 33 ? 32.746 44.597 17.521 1.00 65.67 ? 33 ALA e CB 1 +ATOM 40649 N N . GLY W 5 34 ? 30.136 43.781 15.867 1.00 68.30 ? 34 GLY e N 1 +ATOM 40650 C CA . GLY W 5 34 ? 29.463 43.288 14.678 1.00 65.63 ? 34 GLY e CA 1 +ATOM 40651 C C . GLY W 5 34 ? 28.495 44.305 14.105 1.00 70.17 ? 34 GLY e C 1 +ATOM 40652 O O . GLY W 5 34 ? 28.444 44.511 12.887 1.00 63.41 ? 34 GLY e O 1 +ATOM 40653 N N . TRP W 5 35 ? 27.735 44.977 14.982 1.00 67.45 ? 35 TRP e N 1 +ATOM 40654 C CA . TRP W 5 35 ? 26.829 46.040 14.554 1.00 70.77 ? 35 TRP e CA 1 +ATOM 40655 C C . TRP W 5 35 ? 27.567 47.118 13.758 1.00 77.42 ? 35 TRP e C 1 +ATOM 40656 O O . TRP W 5 35 ? 27.114 47.536 12.684 1.00 69.62 ? 35 TRP e O 1 +ATOM 40657 C CB . TRP W 5 35 ? 26.132 46.652 15.776 1.00 71.46 ? 35 TRP e CB 1 +ATOM 40658 C CG . TRP W 5 35 ? 25.098 47.684 15.429 1.00 65.32 ? 35 TRP e CG 1 +ATOM 40659 C CD1 . TRP W 5 35 ? 25.315 48.923 14.884 1.00 70.08 ? 35 TRP e CD1 1 +ATOM 40660 C CD2 . TRP W 5 35 ? 23.682 47.568 15.604 1.00 64.98 ? 35 TRP e CD2 1 +ATOM 40661 N NE1 . TRP W 5 35 ? 24.121 49.580 14.709 1.00 71.43 ? 35 TRP e NE1 1 +ATOM 40662 C CE2 . TRP W 5 35 ? 23.102 48.773 15.143 1.00 67.08 ? 35 TRP e CE2 1 +ATOM 40663 C CE3 . TRP W 5 35 ? 22.848 46.571 16.117 1.00 61.22 ? 35 TRP e CE3 1 +ATOM 40664 C CZ2 . TRP W 5 35 ? 21.731 49.002 15.172 1.00 67.51 ? 35 TRP e CZ2 1 +ATOM 40665 C CZ3 . TRP W 5 35 ? 21.480 46.800 16.138 1.00 69.57 ? 35 TRP e CZ3 1 +ATOM 40666 C CH2 . TRP W 5 35 ? 20.938 48.006 15.666 1.00 72.48 ? 35 TRP e CH2 1 +ATOM 40667 N N . LEU W 5 36 ? 28.715 47.579 14.271 1.00 71.18 ? 36 LEU e N 1 +ATOM 40668 C CA . LEU W 5 36 ? 29.443 48.655 13.599 1.00 74.38 ? 36 LEU e CA 1 +ATOM 40669 C C . LEU W 5 36 ? 30.094 48.175 12.312 1.00 67.27 ? 36 LEU e C 1 +ATOM 40670 O O . LEU W 5 36 ? 30.315 48.973 11.393 1.00 72.36 ? 36 LEU e O 1 +ATOM 40671 C CB . LEU W 5 36 ? 30.503 49.246 14.532 1.00 83.44 ? 36 LEU e CB 1 +ATOM 40672 C CG . LEU W 5 36 ? 29.989 49.867 15.835 1.00 85.83 ? 36 LEU e CG 1 +ATOM 40673 C CD1 . LEU W 5 36 ? 31.126 50.083 16.832 1.00 73.19 ? 36 LEU e CD1 1 +ATOM 40674 C CD2 . LEU W 5 36 ? 29.274 51.172 15.526 1.00 73.00 ? 36 LEU e CD2 1 +ATOM 40675 N N . PHE W 5 37 ? 30.421 46.882 12.234 1.00 71.67 ? 37 PHE e N 1 +ATOM 40676 C CA . PHE W 5 37 ? 30.978 46.319 11.003 1.00 72.63 ? 37 PHE e CA 1 +ATOM 40677 C C . PHE W 5 37 ? 30.046 46.545 9.808 1.00 66.27 ? 37 PHE e C 1 +ATOM 40678 O O . PHE W 5 37 ? 30.511 46.756 8.680 1.00 62.86 ? 37 PHE e O 1 +ATOM 40679 C CB . PHE W 5 37 ? 31.266 44.829 11.230 1.00 76.98 ? 37 PHE e CB 1 +ATOM 40680 C CG . PHE W 5 37 ? 31.957 44.158 10.083 1.00 73.30 ? 37 PHE e CG 1 +ATOM 40681 C CD1 . PHE W 5 37 ? 33.251 44.504 9.737 1.00 67.21 ? 37 PHE e CD1 1 +ATOM 40682 C CD2 . PHE W 5 37 ? 31.321 43.153 9.372 1.00 67.39 ? 37 PHE e CD2 1 +ATOM 40683 C CE1 . PHE W 5 37 ? 33.887 43.871 8.685 1.00 77.06 ? 37 PHE e CE1 1 +ATOM 40684 C CE2 . PHE W 5 37 ? 31.951 42.522 8.331 1.00 61.37 ? 37 PHE e CE2 1 +ATOM 40685 C CZ . PHE W 5 37 ? 33.232 42.883 7.981 1.00 74.35 ? 37 PHE e CZ 1 +ATOM 40686 N N . VAL W 5 38 ? 28.737 46.558 10.052 1.00 58.63 ? 38 VAL e N 1 +ATOM 40687 C CA . VAL W 5 38 ? 27.721 46.824 9.044 1.00 61.19 ? 38 VAL e CA 1 +ATOM 40688 C C . VAL W 5 38 ? 27.441 48.324 8.973 1.00 66.98 ? 38 VAL e C 1 +ATOM 40689 O O . VAL W 5 38 ? 27.547 48.930 7.907 1.00 69.79 ? 38 VAL e O 1 +ATOM 40690 C CB . VAL W 5 38 ? 26.438 46.013 9.353 1.00 64.23 ? 38 VAL e CB 1 +ATOM 40691 C CG1 . VAL W 5 38 ? 25.237 46.534 8.574 1.00 64.39 ? 38 VAL e CG1 1 +ATOM 40692 C CG2 . VAL W 5 38 ? 26.662 44.522 9.054 1.00 66.86 ? 38 VAL e CG2 1 +ATOM 40693 N N . SER W 5 39 ? 27.088 48.941 10.109 1.00 79.78 ? 39 SER e N 1 +ATOM 40694 C CA . SER W 5 39 ? 26.619 50.328 10.083 1.00 68.86 ? 39 SER e CA 1 +ATOM 40695 C C . SER W 5 39 ? 27.678 51.274 9.541 1.00 68.85 ? 39 SER e C 1 +ATOM 40696 O O . SER W 5 39 ? 27.345 52.248 8.865 1.00 67.21 ? 39 SER e O 1 +ATOM 40697 C CB . SER W 5 39 ? 26.197 50.771 11.471 1.00 74.09 ? 39 SER e CB 1 +ATOM 40698 O OG . SER W 5 39 ? 27.334 50.796 12.305 1.00 74.08 ? 39 SER e OG 1 +ATOM 40699 N N . THR W 5 40 ? 28.951 50.998 9.788 1.00 62.31 ? 40 THR e N 1 +ATOM 40700 C CA . THR W 5 40 ? 29.970 51.794 9.113 1.00 55.25 ? 40 THR e CA 1 +ATOM 40701 C C . THR W 5 40 ? 30.115 51.471 7.627 1.00 74.82 ? 40 THR e C 1 +ATOM 40702 O O . THR W 5 40 ? 30.899 52.156 6.944 1.00 70.42 ? 40 THR e O 1 +ATOM 40703 C CB . THR W 5 40 ? 31.315 51.598 9.799 1.00 75.91 ? 40 THR e CB 1 +ATOM 40704 O OG1 . THR W 5 40 ? 31.713 50.230 9.659 1.00 77.72 ? 40 THR e OG1 1 +ATOM 40705 C CG2 . THR W 5 40 ? 31.214 51.950 11.301 1.00 66.34 ? 40 THR e CG2 1 +ATOM 40706 N N . GLY W 5 41 ? 29.419 50.453 7.106 1.00 69.21 ? 41 GLY e N 1 +ATOM 40707 C CA . GLY W 5 41 ? 29.575 50.067 5.716 1.00 62.55 ? 41 GLY e CA 1 +ATOM 40708 C C . GLY W 5 41 ? 30.834 49.288 5.415 1.00 68.00 ? 41 GLY e C 1 +ATOM 40709 O O . GLY W 5 41 ? 31.091 48.960 4.250 1.00 76.66 ? 41 GLY e O 1 +ATOM 40710 N N . LEU W 5 42 ? 31.626 48.964 6.436 1.00 68.67 ? 42 LEU e N 1 +ATOM 40711 C CA . LEU W 5 42 ? 32.868 48.235 6.207 1.00 71.71 ? 42 LEU e CA 1 +ATOM 40712 C C . LEU W 5 42 ? 32.606 46.837 5.645 1.00 83.88 ? 42 LEU e C 1 +ATOM 40713 O O . LEU W 5 42 ? 33.445 46.294 4.912 1.00 68.57 ? 42 LEU e O 1 +ATOM 40714 C CB . LEU W 5 42 ? 33.659 48.165 7.517 1.00 70.38 ? 42 LEU e CB 1 +ATOM 40715 C CG . LEU W 5 42 ? 35.054 47.555 7.425 1.00 75.06 ? 42 LEU e CG 1 +ATOM 40716 C CD1 . LEU W 5 42 ? 35.838 48.171 6.286 1.00 73.51 ? 42 LEU e CD1 1 +ATOM 40717 C CD2 . LEU W 5 42 ? 35.792 47.729 8.727 1.00 85.75 ? 42 LEU e CD2 1 +ATOM 40718 N N . ALA W 5 43 ? 31.446 46.250 5.965 1.00 60.84 ? 43 ALA e N 1 +ATOM 40719 C CA . ALA W 5 43 ? 31.132 44.907 5.486 1.00 70.41 ? 43 ALA e CA 1 +ATOM 40720 C C . ALA W 5 43 ? 31.016 44.872 3.965 1.00 70.96 ? 43 ALA e C 1 +ATOM 40721 O O . ALA W 5 43 ? 31.461 43.909 3.330 1.00 67.72 ? 43 ALA e O 1 +ATOM 40722 C CB . ALA W 5 43 ? 29.846 44.399 6.140 1.00 58.97 ? 43 ALA e CB 1 +ATOM 40723 N N . TYR W 5 44 ? 30.437 45.922 3.362 1.00 64.01 ? 44 TYR e N 1 +ATOM 40724 C CA . TYR W 5 44 ? 30.350 45.988 1.908 1.00 59.16 ? 44 TYR e CA 1 +ATOM 40725 C C . TYR W 5 44 ? 31.729 45.951 1.258 1.00 69.71 ? 44 TYR e C 1 +ATOM 40726 O O . TYR W 5 44 ? 31.923 45.287 0.231 1.00 71.03 ? 44 TYR e O 1 +ATOM 40727 C CB . TYR W 5 44 ? 29.624 47.248 1.464 1.00 57.29 ? 44 TYR e CB 1 +ATOM 40728 C CG . TYR W 5 44 ? 28.194 47.389 1.914 1.00 68.43 ? 44 TYR e CG 1 +ATOM 40729 C CD1 . TYR W 5 44 ? 27.168 46.748 1.237 1.00 67.43 ? 44 TYR e CD1 1 +ATOM 40730 C CD2 . TYR W 5 44 ? 27.857 48.237 2.969 1.00 74.66 ? 44 TYR e CD2 1 +ATOM 40731 C CE1 . TYR W 5 44 ? 25.844 46.909 1.627 1.00 68.05 ? 44 TYR e CE1 1 +ATOM 40732 C CE2 . TYR W 5 44 ? 26.540 48.391 3.374 1.00 69.58 ? 44 TYR e CE2 1 +ATOM 40733 C CZ . TYR W 5 44 ? 25.539 47.724 2.697 1.00 67.53 ? 44 TYR e CZ 1 +ATOM 40734 O OH . TYR W 5 44 ? 24.231 47.872 3.080 1.00 66.96 ? 44 TYR e OH 1 +ATOM 40735 N N . ASP W 5 45 ? 32.697 46.670 1.819 1.00 69.54 ? 45 ASP e N 1 +ATOM 40736 C CA . ASP W 5 45 ? 33.973 46.789 1.122 1.00 65.86 ? 45 ASP e CA 1 +ATOM 40737 C C . ASP W 5 45 ? 34.861 45.580 1.347 1.00 70.34 ? 45 ASP e C 1 +ATOM 40738 O O . ASP W 5 45 ? 35.683 45.258 0.482 1.00 66.49 ? 45 ASP e O 1 +ATOM 40739 C CB . ASP W 5 45 ? 34.702 48.062 1.544 1.00 69.42 ? 45 ASP e CB 1 +ATOM 40740 C CG . ASP W 5 45 ? 33.881 49.312 1.276 1.00 81.80 ? 45 ASP e CG 1 +ATOM 40741 O OD1 . ASP W 5 45 ? 33.137 49.343 0.267 1.00 79.89 ? 45 ASP e OD1 1 +ATOM 40742 O OD2 . ASP W 5 45 ? 33.959 50.254 2.085 1.00 86.63 ? 45 ASP e OD2 1 +ATOM 40743 N N . VAL W 5 46 ? 34.725 44.900 2.489 1.00 72.11 ? 46 VAL e N 1 +ATOM 40744 C CA . VAL W 5 46 ? 35.519 43.692 2.703 1.00 75.30 ? 46 VAL e CA 1 +ATOM 40745 C C . VAL W 5 46 ? 35.113 42.610 1.708 1.00 77.76 ? 46 VAL e C 1 +ATOM 40746 O O . VAL W 5 46 ? 35.958 42.046 1.002 1.00 61.20 ? 46 VAL e O 1 +ATOM 40747 C CB . VAL W 5 46 ? 35.398 43.202 4.156 1.00 69.71 ? 46 VAL e CB 1 +ATOM 40748 C CG1 . VAL W 5 46 ? 36.174 41.903 4.330 1.00 63.84 ? 46 VAL e CG1 1 +ATOM 40749 C CG2 . VAL W 5 46 ? 35.932 44.266 5.106 1.00 72.13 ? 46 VAL e CG2 1 +ATOM 40750 N N . PHE W 5 47 ? 33.812 42.338 1.604 1.00 66.69 ? 47 PHE e N 1 +ATOM 40751 C CA . PHE W 5 47 ? 33.352 41.187 0.839 1.00 69.64 ? 47 PHE e CA 1 +ATOM 40752 C C . PHE W 5 47 ? 33.025 41.514 -0.604 1.00 65.15 ? 47 PHE e C 1 +ATOM 40753 O O . PHE W 5 47 ? 33.017 40.603 -1.437 1.00 68.71 ? 47 PHE e O 1 +ATOM 40754 C CB . PHE W 5 47 ? 32.149 40.558 1.538 1.00 62.76 ? 47 PHE e CB 1 +ATOM 40755 C CG . PHE W 5 47 ? 32.490 39.993 2.890 1.00 62.06 ? 47 PHE e CG 1 +ATOM 40756 C CD1 . PHE W 5 47 ? 33.242 38.839 2.996 1.00 57.79 ? 47 PHE e CD1 1 +ATOM 40757 C CD2 . PHE W 5 47 ? 32.104 40.637 4.046 1.00 57.82 ? 47 PHE e CD2 1 +ATOM 40758 C CE1 . PHE W 5 47 ? 33.578 38.327 4.236 1.00 66.27 ? 47 PHE e CE1 1 +ATOM 40759 C CE2 . PHE W 5 47 ? 32.430 40.133 5.277 1.00 56.49 ? 47 PHE e CE2 1 +ATOM 40760 C CZ . PHE W 5 47 ? 33.173 38.979 5.379 1.00 57.62 ? 47 PHE e CZ 1 +ATOM 40761 N N . GLY W 5 48 ? 32.814 42.788 -0.931 1.00 68.39 ? 48 GLY e N 1 +ATOM 40762 C CA . GLY W 5 48 ? 32.537 43.177 -2.296 1.00 63.26 ? 48 GLY e CA 1 +ATOM 40763 C C . GLY W 5 48 ? 31.074 43.190 -2.648 1.00 62.42 ? 48 GLY e C 1 +ATOM 40764 O O . GLY W 5 48 ? 30.737 43.071 -3.830 1.00 65.55 ? 48 GLY e O 1 +ATOM 40765 N N . THR W 5 49 ? 30.205 43.316 -1.666 1.00 61.13 ? 49 THR e N 1 +ATOM 40766 C CA . THR W 5 49 ? 28.766 43.252 -1.864 1.00 67.50 ? 49 THR e CA 1 +ATOM 40767 C C . THR W 5 49 ? 28.232 44.611 -2.299 1.00 75.20 ? 49 THR e C 1 +ATOM 40768 O O . THR W 5 49 ? 28.574 45.631 -1.691 1.00 70.62 ? 49 THR e O 1 +ATOM 40769 C CB . THR W 5 49 ? 28.089 42.814 -0.566 1.00 60.48 ? 49 THR e CB 1 +ATOM 40770 O OG1 . THR W 5 49 ? 28.571 41.518 -0.212 1.00 64.78 ? 49 THR e OG1 1 +ATOM 40771 C CG2 . THR W 5 49 ? 26.583 42.769 -0.721 1.00 58.21 ? 49 THR e CG2 1 +ATOM 40772 N N . PRO W 5 50 ? 27.397 44.670 -3.331 1.00 83.76 ? 50 PRO e N 1 +ATOM 40773 C CA . PRO W 5 50 ? 26.852 45.966 -3.750 1.00 60.84 ? 50 PRO e CA 1 +ATOM 40774 C C . PRO W 5 50 ? 25.970 46.573 -2.665 1.00 72.80 ? 50 PRO e C 1 +ATOM 40775 O O . PRO W 5 50 ? 25.207 45.870 -1.993 1.00 60.06 ? 50 PRO e O 1 +ATOM 40776 C CB . PRO W 5 50 ? 26.033 45.620 -5.000 1.00 62.71 ? 50 PRO e CB 1 +ATOM 40777 C CG . PRO W 5 50 ? 26.517 44.245 -5.429 1.00 67.86 ? 50 PRO e CG 1 +ATOM 40778 C CD . PRO W 5 50 ? 26.955 43.557 -4.195 1.00 66.38 ? 50 PRO e CD 1 +ATOM 40779 N N A ARG W 5 51 ? 26.105 47.899 -2.483 0.50 61.95 ? 51 ARG e N 1 +ATOM 40780 N N B ARG W 5 51 ? 26.079 47.888 -2.488 0.50 61.93 ? 51 ARG e N 1 +ATOM 40781 C CA A ARG W 5 51 ? 25.123 48.648 -1.722 0.50 58.14 ? 51 ARG e CA 1 +ATOM 40782 C CA B ARG W 5 51 ? 25.080 48.602 -1.716 0.50 58.03 ? 51 ARG e CA 1 +ATOM 40783 C C A ARG W 5 51 ? 23.881 48.838 -2.591 0.50 60.81 ? 51 ARG e C 1 +ATOM 40784 C C B ARG W 5 51 ? 23.822 48.718 -2.570 0.50 60.41 ? 51 ARG e C 1 +ATOM 40785 O O A ARG W 5 51 ? 23.943 48.671 -3.811 0.50 62.15 ? 51 ARG e O 1 +ATOM 40786 O O B ARG W 5 51 ? 23.849 48.440 -3.770 0.50 61.15 ? 51 ARG e O 1 +ATOM 40787 C CB A ARG W 5 51 ? 25.716 49.988 -1.283 0.50 60.74 ? 51 ARG e CB 1 +ATOM 40788 C CB B ARG W 5 51 ? 25.604 49.976 -1.299 0.50 60.67 ? 51 ARG e CB 1 +ATOM 40789 C CG A ARG W 5 51 ? 27.006 49.869 -0.447 0.50 64.73 ? 51 ARG e CG 1 +ATOM 40790 C CG B ARG W 5 51 ? 26.799 49.934 -0.380 0.50 64.03 ? 51 ARG e CG 1 +ATOM 40791 C CD A ARG W 5 51 ? 27.809 51.189 -0.386 0.50 66.68 ? 51 ARG e CD 1 +ATOM 40792 C CD B ARG W 5 51 ? 27.395 51.320 -0.164 0.50 65.47 ? 51 ARG e CD 1 +ATOM 40793 N NE A ARG W 5 51 ? 28.901 51.136 0.585 0.50 67.65 ? 51 ARG e NE 1 +ATOM 40794 N NE B ARG W 5 51 ? 28.598 51.251 0.655 0.50 67.49 ? 51 ARG e NE 1 +ATOM 40795 C CZ A ARG W 5 51 ? 30.151 50.785 0.308 0.50 64.61 ? 51 ARG e CZ 1 +ATOM 40796 C CZ B ARG W 5 51 ? 28.649 51.549 1.945 0.50 68.35 ? 51 ARG e CZ 1 +ATOM 40797 N NH1 A ARG W 5 51 ? 30.523 50.460 -0.916 0.50 58.95 ? 51 ARG e NH1 1 +ATOM 40798 N NH1 B ARG W 5 51 ? 27.584 51.999 2.597 0.50 73.10 ? 51 ARG e NH1 1 +ATOM 40799 N NH2 A ARG W 5 51 ? 31.049 50.754 1.288 0.50 56.38 ? 51 ARG e NH2 1 +ATOM 40800 N NH2 B ARG W 5 51 ? 29.797 51.397 2.599 0.50 74.03 ? 51 ARG e NH2 1 +ATOM 40801 N N . PRO W 5 52 ? 22.695 49.122 -1.983 1.00 63.31 ? 52 PRO e N 1 +ATOM 40802 C CA . PRO W 5 52 ? 21.449 49.199 -2.784 1.00 63.53 ? 52 PRO e CA 1 +ATOM 40803 C C . PRO W 5 52 ? 21.514 50.116 -4.006 1.00 75.57 ? 52 PRO e C 1 +ATOM 40804 O O . PRO W 5 52 ? 20.668 49.997 -4.908 1.00 71.44 ? 52 PRO e O 1 +ATOM 40805 C CB . PRO W 5 52 ? 20.416 49.700 -1.772 1.00 56.98 ? 52 PRO e CB 1 +ATOM 40806 C CG . PRO W 5 52 ? 20.908 49.167 -0.477 1.00 64.78 ? 52 PRO e CG 1 +ATOM 40807 C CD . PRO W 5 52 ? 22.414 49.253 -0.543 1.00 59.31 ? 52 PRO e CD 1 +ATOM 40808 N N . ASP W 5 53 ? 22.493 51.018 -4.078 1.00 68.00 ? 53 ASP e N 1 +ATOM 40809 C CA . ASP W 5 53 ? 22.626 51.897 -5.231 1.00 66.31 ? 53 ASP e CA 1 +ATOM 40810 C C . ASP W 5 53 ? 23.750 51.473 -6.173 1.00 70.90 ? 53 ASP e C 1 +ATOM 40811 O O . ASP W 5 53 ? 24.094 52.225 -7.092 1.00 65.45 ? 53 ASP e O 1 +ATOM 40812 C CB . ASP W 5 53 ? 22.813 53.356 -4.775 1.00 77.95 ? 53 ASP e CB 1 +ATOM 40813 C CG . ASP W 5 53 ? 24.051 53.572 -3.890 1.00 69.04 ? 53 ASP e CG 1 +ATOM 40814 O OD1 . ASP W 5 53 ? 24.887 52.657 -3.736 1.00 80.95 ? 53 ASP e OD1 1 +ATOM 40815 O OD2 . ASP W 5 53 ? 24.188 54.692 -3.344 1.00 94.43 ? 53 ASP e OD2 1 +ATOM 40816 N N . SER W 5 54 ? 24.304 50.270 -5.990 1.00 66.93 ? 54 SER e N 1 +ATOM 40817 C CA . SER W 5 54 ? 25.478 49.852 -6.746 1.00 74.63 ? 54 SER e CA 1 +ATOM 40818 C C . SER W 5 54 ? 25.285 48.516 -7.463 1.00 73.16 ? 54 SER e C 1 +ATOM 40819 O O . SER W 5 54 ? 26.273 47.894 -7.858 1.00 66.55 ? 54 SER e O 1 +ATOM 40820 C CB . SER W 5 54 ? 26.702 49.771 -5.835 1.00 68.58 ? 54 SER e CB 1 +ATOM 40821 O OG . SER W 5 54 ? 26.884 51.002 -5.173 1.00 98.63 ? 54 SER e OG 1 +ATOM 40822 N N . TYR W 5 55 ? 24.046 48.055 -7.645 1.00 64.04 ? 55 TYR e N 1 +ATOM 40823 C CA . TYR W 5 55 ? 23.826 46.885 -8.495 1.00 65.91 ? 55 TYR e CA 1 +ATOM 40824 C C . TYR W 5 55 ? 23.916 47.259 -9.962 1.00 70.37 ? 55 TYR e C 1 +ATOM 40825 O O . TYR W 5 55 ? 24.537 46.545 -10.757 1.00 69.68 ? 55 TYR e O 1 +ATOM 40826 C CB . TYR W 5 55 ? 22.463 46.264 -8.211 1.00 53.55 ? 55 TYR e CB 1 +ATOM 40827 C CG . TYR W 5 55 ? 22.413 45.496 -6.925 1.00 64.78 ? 55 TYR e CG 1 +ATOM 40828 C CD1 . TYR W 5 55 ? 22.806 44.161 -6.877 1.00 59.43 ? 55 TYR e CD1 1 +ATOM 40829 C CD2 . TYR W 5 55 ? 21.960 46.090 -5.762 1.00 62.91 ? 55 TYR e CD2 1 +ATOM 40830 C CE1 . TYR W 5 55 ? 22.755 43.457 -5.713 1.00 59.88 ? 55 TYR e CE1 1 +ATOM 40831 C CE2 . TYR W 5 55 ? 21.905 45.385 -4.587 1.00 69.74 ? 55 TYR e CE2 1 +ATOM 40832 C CZ . TYR W 5 55 ? 22.300 44.075 -4.567 1.00 61.21 ? 55 TYR e CZ 1 +ATOM 40833 O OH . TYR W 5 55 ? 22.236 43.384 -3.390 1.00 60.75 ? 55 TYR e OH 1 +ATOM 40834 N N . TYR W 5 56 ? 23.290 48.375 -10.334 1.00 69.40 ? 56 TYR e N 1 +ATOM 40835 C CA . TYR W 5 56 ? 23.207 48.819 -11.718 1.00 71.24 ? 56 TYR e CA 1 +ATOM 40836 C C . TYR W 5 56 ? 23.699 50.255 -11.853 1.00 86.64 ? 56 TYR e C 1 +ATOM 40837 O O . TYR W 5 56 ? 23.497 51.093 -10.956 1.00 67.71 ? 56 TYR e O 1 +ATOM 40838 C CB . TYR W 5 56 ? 21.782 48.798 -12.242 1.00 61.16 ? 56 TYR e CB 1 +ATOM 40839 C CG . TYR W 5 56 ? 21.098 47.464 -12.372 1.00 72.65 ? 56 TYR e CG 1 +ATOM 40840 C CD1 . TYR W 5 56 ? 21.351 46.638 -13.462 1.00 73.31 ? 56 TYR e CD1 1 +ATOM 40841 C CD2 . TYR W 5 56 ? 20.125 47.071 -11.458 1.00 61.90 ? 56 TYR e CD2 1 +ATOM 40842 C CE1 . TYR W 5 56 ? 20.687 45.430 -13.612 1.00 84.21 ? 56 TYR e CE1 1 +ATOM 40843 C CE2 . TYR W 5 56 ? 19.458 45.880 -11.597 1.00 60.95 ? 56 TYR e CE2 1 +ATOM 40844 C CZ . TYR W 5 56 ? 19.741 45.059 -12.676 1.00 66.59 ? 56 TYR e CZ 1 +ATOM 40845 O OH . TYR W 5 56 ? 19.073 43.873 -12.825 1.00 73.44 ? 56 TYR e OH 1 +ATOM 40846 N N . ALA W 5 57 ? 24.304 50.549 -13.004 1.00 82.91 ? 57 ALA e N 1 +ATOM 40847 C CA . ALA W 5 57 ? 24.407 51.937 -13.421 1.00 78.44 ? 57 ALA e CA 1 +ATOM 40848 C C . ALA W 5 57 ? 22.996 52.494 -13.647 1.00 81.33 ? 57 ALA e C 1 +ATOM 40849 O O . ALA W 5 57 ? 22.012 51.750 -13.718 1.00 82.85 ? 57 ALA e O 1 +ATOM 40850 C CB . ALA W 5 57 ? 25.270 52.051 -14.672 1.00 67.96 ? 57 ALA e CB 1 +ATOM 40851 N N . GLN W 5 58 ? 22.901 53.823 -13.767 1.00 75.48 ? 58 GLN e N 1 +ATOM 40852 C CA . GLN W 5 58 ? 21.604 54.485 -13.607 1.00 97.33 ? 58 GLN e CA 1 +ATOM 40853 C C . GLN W 5 58 ? 20.584 54.047 -14.657 1.00 83.60 ? 58 GLN e C 1 +ATOM 40854 O O . GLN W 5 58 ? 19.407 53.841 -14.331 1.00 77.12 ? 58 GLN e O 1 +ATOM 40855 C CB . GLN W 5 58 ? 21.762 56.009 -13.635 1.00 78.85 ? 58 GLN e CB 1 +ATOM 40856 C CG . GLN W 5 58 ? 20.435 56.742 -13.527 1.00 68.93 ? 58 GLN e CG 1 +ATOM 40857 C CD . GLN W 5 58 ? 19.760 56.529 -12.176 1.00 71.25 ? 58 GLN e CD 1 +ATOM 40858 O OE1 . GLN W 5 58 ? 20.404 56.156 -11.205 1.00 80.16 ? 58 GLN e OE1 1 +ATOM 40859 N NE2 . GLN W 5 58 ? 18.455 56.770 -12.115 1.00 80.40 ? 58 GLN e NE2 1 +ATOM 40860 N N . GLU W 5 59 ? 21.003 53.908 -15.918 1.00 73.12 ? 59 GLU e N 1 +ATOM 40861 C CA . GLU W 5 59 ? 20.062 53.640 -17.000 1.00 92.77 ? 59 GLU e CA 1 +ATOM 40862 C C . GLU W 5 59 ? 20.145 52.225 -17.566 1.00 103.34 ? 59 GLU e C 1 +ATOM 40863 O O . GLU W 5 59 ? 19.230 51.816 -18.292 1.00 113.08 ? 59 GLU e O 1 +ATOM 40864 C CB . GLU W 5 59 ? 20.264 54.653 -18.144 1.00 99.26 ? 59 GLU e CB 1 +ATOM 40865 C CG . GLU W 5 59 ? 20.146 56.129 -17.736 1.00 100.01 ? 59 GLU e CG 1 +ATOM 40866 C CD . GLU W 5 59 ? 18.749 56.512 -17.258 1.00 127.30 ? 59 GLU e CD 1 +ATOM 40867 O OE1 . GLU W 5 59 ? 17.783 55.806 -17.628 1.00 131.07 ? 59 GLU e OE1 1 +ATOM 40868 O OE2 . GLU W 5 59 ? 18.618 57.513 -16.507 1.00 134.10 ? 59 GLU e OE2 1 +ATOM 40869 N N . GLN W 5 60 ? 21.200 51.473 -17.263 1.00 99.50 ? 60 GLN e N 1 +ATOM 40870 C CA . GLN W 5 60 ? 21.359 50.118 -17.774 1.00 110.51 ? 60 GLN e CA 1 +ATOM 40871 C C . GLN W 5 60 ? 20.453 49.129 -17.038 1.00 96.49 ? 60 GLN e C 1 +ATOM 40872 O O . GLN W 5 60 ? 20.038 49.354 -15.898 1.00 100.67 ? 60 GLN e O 1 +ATOM 40873 C CB . GLN W 5 60 ? 22.805 49.654 -17.626 1.00 99.73 ? 60 GLN e CB 1 +ATOM 40874 C CG . GLN W 5 60 ? 23.190 49.425 -16.173 1.00 107.38 ? 60 GLN e CG 1 +ATOM 40875 C CD . GLN W 5 60 ? 24.405 48.540 -16.016 1.00 105.81 ? 60 GLN e CD 1 +ATOM 40876 O OE1 . GLN W 5 60 ? 24.992 48.451 -14.934 1.00 107.91 ? 60 GLN e OE1 1 +ATOM 40877 N NE2 . GLN W 5 60 ? 24.789 47.874 -17.093 1.00 126.62 ? 60 GLN e NE2 1 +ATOM 40878 N N . ARG W 5 61 ? 20.168 48.003 -17.707 1.00 98.77 ? 61 ARG e N 1 +ATOM 40879 C CA . ARG W 5 61 ? 19.535 46.857 -17.061 1.00 95.09 ? 61 ARG e CA 1 +ATOM 40880 C C . ARG W 5 61 ? 20.278 45.554 -17.335 1.00 84.35 ? 61 ARG e C 1 +ATOM 40881 O O . ARG W 5 61 ? 19.731 44.481 -17.073 1.00 99.96 ? 61 ARG e O 1 +ATOM 40882 C CB . ARG W 5 61 ? 18.067 46.718 -17.486 1.00 114.11 ? 61 ARG e CB 1 +ATOM 40883 C CG . ARG W 5 61 ? 17.081 47.412 -16.550 1.00 103.68 ? 61 ARG e CG 1 +ATOM 40884 C CD . ARG W 5 61 ? 15.663 47.412 -17.123 1.00 126.20 ? 61 ARG e CD 1 +ATOM 40885 N NE . ARG W 5 61 ? 15.023 48.721 -17.014 1.00 126.95 ? 61 ARG e NE 1 +ATOM 40886 C CZ . ARG W 5 61 ? 15.187 49.711 -17.883 1.00 114.80 ? 61 ARG e CZ 1 +ATOM 40887 N NH1 . ARG W 5 61 ? 15.954 49.571 -18.952 1.00 122.05 ? 61 ARG e NH1 1 +ATOM 40888 N NH2 . ARG W 5 61 ? 14.572 50.873 -17.669 1.00 109.90 ? 61 ARG e NH2 1 +ATOM 40889 N N . SER W 5 62 ? 21.499 45.623 -17.855 1.00 84.77 ? 62 SER e N 1 +ATOM 40890 C CA . SER W 5 62 ? 22.349 44.454 -18.020 1.00 72.01 ? 62 SER e CA 1 +ATOM 40891 C C . SER W 5 62 ? 22.982 44.070 -16.680 1.00 96.26 ? 62 SER e C 1 +ATOM 40892 O O . SER W 5 62 ? 23.343 44.940 -15.882 1.00 95.77 ? 62 SER e O 1 +ATOM 40893 C CB . SER W 5 62 ? 23.430 44.761 -19.062 1.00 87.71 ? 62 SER e CB 1 +ATOM 40894 O OG . SER W 5 62 ? 24.265 43.652 -19.334 1.00 93.16 ? 62 SER e OG 1 +ATOM 40895 N N . ILE W 5 63 ? 23.098 42.767 -16.422 1.00 74.76 ? 63 ILE e N 1 +ATOM 40896 C CA . ILE W 5 63 ? 23.762 42.268 -15.215 1.00 66.68 ? 63 ILE e CA 1 +ATOM 40897 C C . ILE W 5 63 ? 25.265 42.209 -15.463 1.00 67.15 ? 63 ILE e C 1 +ATOM 40898 O O . ILE W 5 63 ? 25.695 41.690 -16.501 1.00 66.56 ? 63 ILE e O 1 +ATOM 40899 C CB . ILE W 5 63 ? 23.245 40.877 -14.808 1.00 77.35 ? 63 ILE e CB 1 +ATOM 40900 C CG1 . ILE W 5 63 ? 21.725 40.827 -14.836 1.00 77.05 ? 63 ILE e CG1 1 +ATOM 40901 C CG2 . ILE W 5 63 ? 23.736 40.507 -13.413 1.00 79.96 ? 63 ILE e CG2 1 +ATOM 40902 C CD1 . ILE W 5 63 ? 21.087 41.824 -13.957 1.00 81.40 ? 63 ILE e CD1 1 +ATOM 40903 N N . PRO W 5 64 ? 26.097 42.696 -14.550 1.00 65.82 ? 64 PRO e N 1 +ATOM 40904 C CA . PRO W 5 64 ? 27.553 42.624 -14.764 1.00 63.62 ? 64 PRO e CA 1 +ATOM 40905 C C . PRO W 5 64 ? 28.118 41.220 -14.597 1.00 74.00 ? 64 PRO e C 1 +ATOM 40906 O O . PRO W 5 64 ? 28.855 40.954 -13.640 1.00 64.53 ? 64 PRO e O 1 +ATOM 40907 C CB . PRO W 5 64 ? 28.101 43.562 -13.682 1.00 69.44 ? 64 PRO e CB 1 +ATOM 40908 C CG . PRO W 5 64 ? 27.078 43.487 -12.583 1.00 64.45 ? 64 PRO e CG 1 +ATOM 40909 C CD . PRO W 5 64 ? 25.752 43.361 -13.279 1.00 70.06 ? 64 PRO e CD 1 +ATOM 40910 N N . LEU W 5 65 ? 27.803 40.316 -15.514 1.00 66.49 ? 65 LEU e N 1 +ATOM 40911 C CA . LEU W 5 65 ? 28.134 38.906 -15.326 1.00 62.89 ? 65 LEU e CA 1 +ATOM 40912 C C . LEU W 5 65 ? 29.573 38.618 -15.741 1.00 55.12 ? 65 LEU e C 1 +ATOM 40913 O O . LEU W 5 65 ? 30.008 39.013 -16.820 1.00 63.15 ? 65 LEU e O 1 +ATOM 40914 C CB . LEU W 5 65 ? 27.168 38.048 -16.134 1.00 61.12 ? 65 LEU e CB 1 +ATOM 40915 C CG . LEU W 5 65 ? 27.151 36.576 -15.774 1.00 74.40 ? 65 LEU e CG 1 +ATOM 40916 C CD1 . LEU W 5 65 ? 26.171 36.346 -14.647 1.00 63.02 ? 65 LEU e CD1 1 +ATOM 40917 C CD2 . LEU W 5 65 ? 26.760 35.809 -16.999 1.00 73.54 ? 65 LEU e CD2 1 +ATOM 40918 N N . VAL W 5 66 ? 30.319 37.927 -14.890 1.00 60.32 ? 66 VAL e N 1 +ATOM 40919 C CA . VAL W 5 66 ? 31.678 37.554 -15.262 1.00 63.79 ? 66 VAL e CA 1 +ATOM 40920 C C . VAL W 5 66 ? 31.639 36.522 -16.391 1.00 73.02 ? 66 VAL e C 1 +ATOM 40921 O O . VAL W 5 66 ? 30.916 35.520 -16.317 1.00 61.75 ? 66 VAL e O 1 +ATOM 40922 C CB . VAL W 5 66 ? 32.428 37.044 -14.023 1.00 67.06 ? 66 VAL e CB 1 +ATOM 40923 C CG1 . VAL W 5 66 ? 33.603 36.170 -14.398 1.00 65.51 ? 66 VAL e CG1 1 +ATOM 40924 C CG2 . VAL W 5 66 ? 32.918 38.230 -13.222 1.00 72.52 ? 66 VAL e CG2 1 +ATOM 40925 N N . THR W 5 67 ? 32.389 36.781 -17.466 1.00 66.38 ? 67 THR e N 1 +ATOM 40926 C CA . THR W 5 67 ? 32.391 35.896 -18.620 1.00 62.78 ? 67 THR e CA 1 +ATOM 40927 C C . THR W 5 67 ? 33.770 35.395 -19.016 1.00 61.91 ? 67 THR e C 1 +ATOM 40928 O O . THR W 5 67 ? 33.878 34.658 -19.992 1.00 63.10 ? 67 THR e O 1 +ATOM 40929 C CB . THR W 5 67 ? 31.762 36.575 -19.846 1.00 65.11 ? 67 THR e CB 1 +ATOM 40930 O OG1 . THR W 5 67 ? 32.575 37.681 -20.245 1.00 67.99 ? 67 THR e OG1 1 +ATOM 40931 C CG2 . THR W 5 67 ? 30.352 37.058 -19.544 1.00 58.55 ? 67 THR e CG2 1 +ATOM 40932 N N . ASP W 5 68 ? 34.819 35.750 -18.298 1.00 72.21 ? 68 ASP e N 1 +ATOM 40933 C CA . ASP W 5 68 ? 36.147 35.259 -18.630 1.00 71.34 ? 68 ASP e CA 1 +ATOM 40934 C C . ASP W 5 68 ? 36.776 34.670 -17.380 1.00 67.64 ? 68 ASP e C 1 +ATOM 40935 O O . ASP W 5 68 ? 36.646 35.227 -16.294 1.00 76.36 ? 68 ASP e O 1 +ATOM 40936 C CB . ASP W 5 68 ? 37.032 36.379 -19.208 1.00 91.29 ? 68 ASP e CB 1 +ATOM 40937 C CG . ASP W 5 68 ? 38.343 35.859 -19.758 1.00 86.47 ? 68 ASP e CG 1 +ATOM 40938 O OD1 . ASP W 5 68 ? 39.185 35.395 -18.968 1.00 93.42 ? 68 ASP e OD1 1 +ATOM 40939 O OD2 . ASP W 5 68 ? 38.525 35.892 -20.990 1.00 119.44 ? 68 ASP e OD2 1 +ATOM 40940 N N . ARG W 5 69 ? 37.452 33.537 -17.536 1.00 69.09 ? 69 ARG e N 1 +ATOM 40941 C CA . ARG W 5 69 ? 38.038 32.882 -16.379 1.00 71.56 ? 69 ARG e CA 1 +ATOM 40942 C C . ARG W 5 69 ? 39.232 33.668 -15.865 1.00 63.20 ? 69 ARG e C 1 +ATOM 40943 O O . ARG W 5 69 ? 39.288 34.037 -14.688 1.00 62.38 ? 69 ARG e O 1 +ATOM 40944 C CB . ARG W 5 69 ? 38.439 31.437 -16.716 1.00 62.02 ? 69 ARG e CB 1 +ATOM 40945 C CG . ARG W 5 69 ? 39.193 30.775 -15.583 1.00 65.66 ? 69 ARG e CG 1 +ATOM 40946 C CD . ARG W 5 69 ? 39.323 29.293 -15.747 1.00 62.54 ? 69 ARG e CD 1 +ATOM 40947 N NE . ARG W 5 69 ? 40.139 28.708 -14.687 1.00 60.90 ? 69 ARG e NE 1 +ATOM 40948 C CZ . ARG W 5 69 ? 40.533 27.443 -14.669 1.00 66.36 ? 69 ARG e CZ 1 +ATOM 40949 N NH1 . ARG W 5 69 ? 40.161 26.594 -15.611 1.00 63.89 ? 69 ARG e NH1 1 +ATOM 40950 N NH2 . ARG W 5 69 ? 41.327 27.020 -13.687 1.00 61.54 ? 69 ARG e NH2 1 +ATOM 40951 N N . PHE W 5 70 ? 40.200 33.930 -16.726 1.00 59.39 ? 70 PHE e N 1 +ATOM 40952 C CA . PHE W 5 70 ? 41.449 34.510 -16.265 1.00 73.72 ? 70 PHE e CA 1 +ATOM 40953 C C . PHE W 5 70 ? 41.451 36.029 -16.289 1.00 72.62 ? 70 PHE e C 1 +ATOM 40954 O O . PHE W 5 70 ? 42.368 36.632 -15.726 1.00 78.35 ? 70 PHE e O 1 +ATOM 40955 C CB . PHE W 5 70 ? 42.599 33.958 -17.091 1.00 60.67 ? 70 PHE e CB 1 +ATOM 40956 C CG . PHE W 5 70 ? 42.665 32.474 -17.055 1.00 69.74 ? 70 PHE e CG 1 +ATOM 40957 C CD1 . PHE W 5 70 ? 43.133 31.821 -15.929 1.00 76.48 ? 70 PHE e CD1 1 +ATOM 40958 C CD2 . PHE W 5 70 ? 42.226 31.722 -18.131 1.00 79.63 ? 70 PHE e CD2 1 +ATOM 40959 C CE1 . PHE W 5 70 ? 43.184 30.439 -15.876 1.00 72.90 ? 70 PHE e CE1 1 +ATOM 40960 C CE2 . PHE W 5 70 ? 42.276 30.342 -18.087 1.00 74.09 ? 70 PHE e CE2 1 +ATOM 40961 C CZ . PHE W 5 70 ? 42.755 29.700 -16.962 1.00 71.28 ? 70 PHE e CZ 1 +ATOM 40962 N N . GLU W 5 71 ? 40.430 36.651 -16.873 1.00 66.80 ? 71 GLU e N 1 +ATOM 40963 C CA . GLU W 5 71 ? 40.264 38.099 -16.879 1.00 80.32 ? 71 GLU e CA 1 +ATOM 40964 C C . GLU W 5 71 ? 39.116 38.538 -15.985 1.00 84.42 ? 71 GLU e C 1 +ATOM 40965 O O . GLU W 5 71 ? 38.695 39.701 -16.050 1.00 80.47 ? 71 GLU e O 1 +ATOM 40966 C CB . GLU W 5 71 ? 40.018 38.601 -18.304 1.00 89.51 ? 71 GLU e CB 1 +ATOM 40967 C CG . GLU W 5 71 ? 40.852 39.786 -18.711 1.00 123.51 ? 71 GLU e CG 1 +ATOM 40968 C CD . GLU W 5 71 ? 42.137 39.370 -19.401 1.00 136.55 ? 71 GLU e CD 1 +ATOM 40969 O OE1 . GLU W 5 71 ? 42.467 38.161 -19.374 1.00 121.35 ? 71 GLU e OE1 1 +ATOM 40970 O OE2 . GLU W 5 71 ? 42.816 40.253 -19.971 1.00 165.37 ? 71 GLU e OE2 1 +ATOM 40971 N N . ALA W 5 72 ? 38.583 37.619 -15.178 1.00 74.30 ? 72 ALA e N 1 +ATOM 40972 C CA . ALA W 5 72 ? 37.431 37.925 -14.338 1.00 80.02 ? 72 ALA e CA 1 +ATOM 40973 C C . ALA W 5 72 ? 37.739 39.019 -13.320 1.00 73.97 ? 72 ALA e C 1 +ATOM 40974 O O . ALA W 5 72 ? 36.863 39.828 -12.990 1.00 78.09 ? 72 ALA e O 1 +ATOM 40975 C CB . ALA W 5 72 ? 36.965 36.654 -13.621 1.00 83.29 ? 72 ALA e CB 1 +ATOM 40976 N N . LYS W 5 73 ? 38.959 39.036 -12.775 1.00 65.83 ? 73 LYS e N 1 +ATOM 40977 C CA . LYS W 5 73 ? 39.322 40.083 -11.819 1.00 67.75 ? 73 LYS e CA 1 +ATOM 40978 C C . LYS W 5 73 ? 39.253 41.454 -12.480 1.00 69.88 ? 73 LYS e C 1 +ATOM 40979 O O . LYS W 5 73 ? 38.647 42.388 -11.945 1.00 67.58 ? 73 LYS e O 1 +ATOM 40980 C CB . LYS W 5 73 ? 40.722 39.814 -11.258 1.00 71.89 ? 73 LYS e CB 1 +ATOM 40981 C CG . LYS W 5 73 ? 41.062 40.535 -9.968 1.00 80.67 ? 73 LYS e CG 1 +ATOM 40982 C CD . LYS W 5 73 ? 42.549 40.389 -9.651 1.00 75.30 ? 73 LYS e CD 1 +ATOM 40983 C CE . LYS W 5 73 ? 42.961 41.217 -8.436 1.00 89.51 ? 73 LYS e CE 1 +ATOM 40984 N NZ . LYS W 5 73 ? 42.504 42.643 -8.499 1.00 97.24 ? 73 LYS e NZ 1 +ATOM 40985 N N . GLN W 5 74 ? 39.826 41.568 -13.680 1.00 75.30 ? 74 GLN e N 1 +ATOM 40986 C CA . GLN W 5 74 ? 39.805 42.819 -14.427 1.00 66.97 ? 74 GLN e CA 1 +ATOM 40987 C C . GLN W 5 74 ? 38.401 43.173 -14.911 1.00 83.58 ? 74 GLN e C 1 +ATOM 40988 O O . GLN W 5 74 ? 38.073 44.358 -15.041 1.00 80.34 ? 74 GLN e O 1 +ATOM 40989 C CB . GLN W 5 74 ? 40.783 42.716 -15.594 1.00 72.01 ? 74 GLN e CB 1 +ATOM 40990 C CG . GLN W 5 74 ? 40.871 43.932 -16.487 1.00 95.76 ? 74 GLN e CG 1 +ATOM 40991 C CD . GLN W 5 74 ? 42.066 43.862 -17.429 1.00 136.25 ? 74 GLN e CD 1 +ATOM 40992 O OE1 . GLN W 5 74 ? 43.052 43.169 -17.151 1.00 122.04 ? 74 GLN e OE1 1 +ATOM 40993 N NE2 . GLN W 5 74 ? 41.980 44.573 -18.552 1.00 141.93 ? 74 GLN e NE2 1 +ATOM 40994 N N . GLN W 5 75 ? 37.554 42.174 -15.171 1.00 71.16 ? 75 GLN e N 1 +ATOM 40995 C CA . GLN W 5 75 ? 36.181 42.466 -15.573 1.00 61.70 ? 75 GLN e CA 1 +ATOM 40996 C C . GLN W 5 75 ? 35.377 43.095 -14.437 1.00 69.38 ? 75 GLN e C 1 +ATOM 40997 O O . GLN W 5 75 ? 34.610 44.035 -14.665 1.00 67.50 ? 75 GLN e O 1 +ATOM 40998 C CB . GLN W 5 75 ? 35.490 41.196 -16.062 1.00 62.59 ? 75 GLN e CB 1 +ATOM 40999 C CG . GLN W 5 75 ? 35.720 40.859 -17.513 1.00 62.85 ? 75 GLN e CG 1 +ATOM 41000 C CD . GLN W 5 75 ? 34.841 39.705 -17.978 1.00 72.08 ? 75 GLN e CD 1 +ATOM 41001 O OE1 . GLN W 5 75 ? 34.165 39.059 -17.175 1.00 69.65 ? 75 GLN e OE1 1 +ATOM 41002 N NE2 . GLN W 5 75 ? 34.850 39.441 -19.276 1.00 71.13 ? 75 GLN e NE2 1 +ATOM 41003 N N . VAL W 5 76 ? 35.506 42.574 -13.210 1.00 64.84 ? 76 VAL e N 1 +ATOM 41004 C CA . VAL W 5 76 ? 34.743 43.143 -12.099 1.00 70.91 ? 76 VAL e CA 1 +ATOM 41005 C C . VAL W 5 76 ? 35.176 44.578 -11.837 1.00 71.23 ? 76 VAL e C 1 +ATOM 41006 O O . VAL W 5 76 ? 34.344 45.459 -11.593 1.00 74.47 ? 76 VAL e O 1 +ATOM 41007 C CB . VAL W 5 76 ? 34.890 42.287 -10.827 1.00 63.97 ? 76 VAL e CB 1 +ATOM 41008 C CG1 . VAL W 5 76 ? 34.075 42.903 -9.708 1.00 67.99 ? 76 VAL e CG1 1 +ATOM 41009 C CG2 . VAL W 5 76 ? 34.433 40.877 -11.078 1.00 62.00 ? 76 VAL e CG2 1 +ATOM 41010 N N . GLU W 5 77 ? 36.486 44.827 -11.857 1.00 72.05 ? 77 GLU e N 1 +ATOM 41011 C CA . GLU W 5 77 ? 36.982 46.187 -11.683 1.00 85.07 ? 77 GLU e CA 1 +ATOM 41012 C C . GLU W 5 77 ? 36.429 47.110 -12.761 1.00 74.86 ? 77 GLU e C 1 +ATOM 41013 O O . GLU W 5 77 ? 36.036 48.242 -12.472 1.00 79.03 ? 77 GLU e O 1 +ATOM 41014 C CB . GLU W 5 77 ? 38.511 46.186 -11.677 1.00 73.88 ? 77 GLU e CB 1 +ATOM 41015 C CG . GLU W 5 77 ? 39.088 45.803 -10.321 1.00 81.47 ? 77 GLU e CG 1 +ATOM 41016 C CD . GLU W 5 77 ? 40.311 44.909 -10.416 1.00 98.76 ? 77 GLU e CD 1 +ATOM 41017 O OE1 . GLU W 5 77 ? 40.945 44.894 -11.498 1.00 100.79 ? 77 GLU e OE1 1 +ATOM 41018 O OE2 . GLU W 5 77 ? 40.632 44.220 -9.409 1.00 89.38 ? 77 GLU e OE2 1 +ATOM 41019 N N . THR W 5 78 ? 36.339 46.622 -13.996 1.00 80.84 ? 78 THR e N 1 +ATOM 41020 C CA . THR W 5 78 ? 35.780 47.432 -15.070 1.00 74.45 ? 78 THR e CA 1 +ATOM 41021 C C . THR W 5 78 ? 34.342 47.833 -14.778 1.00 78.41 ? 78 THR e C 1 +ATOM 41022 O O . THR W 5 78 ? 33.962 48.993 -14.961 1.00 93.75 ? 78 THR e O 1 +ATOM 41023 C CB . THR W 5 78 ? 35.867 46.674 -16.383 1.00 67.80 ? 78 THR e CB 1 +ATOM 41024 O OG1 . THR W 5 78 ? 37.247 46.488 -16.715 1.00 88.75 ? 78 THR e OG1 1 +ATOM 41025 C CG2 . THR W 5 78 ? 35.164 47.449 -17.493 1.00 81.68 ? 78 THR e CG2 1 +ATOM 41026 N N A PHE W 5 79 ? 33.537 46.885 -14.321 0.50 83.12 ? 79 PHE e N 1 +ATOM 41027 N N B PHE W 5 79 ? 33.511 46.885 -14.327 0.50 83.13 ? 79 PHE e N 1 +ATOM 41028 C CA A PHE W 5 79 ? 32.139 47.155 -14.002 0.50 83.02 ? 79 PHE e CA 1 +ATOM 41029 C CA B PHE W 5 79 ? 32.131 47.247 -14.014 0.50 83.06 ? 79 PHE e CA 1 +ATOM 41030 C C A PHE W 5 79 ? 32.008 48.120 -12.827 0.50 80.86 ? 79 PHE e C 1 +ATOM 41031 C C B PHE W 5 79 ? 32.072 48.226 -12.862 0.50 81.10 ? 79 PHE e C 1 +ATOM 41032 O O A PHE W 5 79 ? 31.071 48.925 -12.788 0.50 86.28 ? 79 PHE e O 1 +ATOM 41033 O O B PHE W 5 79 ? 31.269 49.167 -12.883 0.50 87.81 ? 79 PHE e O 1 +ATOM 41034 C CB A PHE W 5 79 ? 31.408 45.842 -13.699 0.50 84.57 ? 79 PHE e CB 1 +ATOM 41035 C CB B PHE W 5 79 ? 31.274 46.036 -13.659 0.50 85.03 ? 79 PHE e CB 1 +ATOM 41036 C CG A PHE W 5 79 ? 31.458 44.824 -14.822 0.50 82.01 ? 79 PHE e CG 1 +ATOM 41037 C CG B PHE W 5 79 ? 29.943 46.415 -13.031 0.50 78.41 ? 79 PHE e CG 1 +ATOM 41038 C CD1 A PHE W 5 79 ? 31.451 45.223 -16.152 0.50 78.11 ? 79 PHE e CD1 1 +ATOM 41039 C CD1 B PHE W 5 79 ? 29.721 46.250 -11.672 0.50 76.65 ? 79 PHE e CD1 1 +ATOM 41040 C CD2 A PHE W 5 79 ? 31.510 43.463 -14.537 0.50 85.07 ? 79 PHE e CD2 1 +ATOM 41041 C CD2 B PHE W 5 79 ? 28.934 46.972 -13.801 0.50 67.95 ? 79 PHE e CD2 1 +ATOM 41042 C CE1 A PHE W 5 79 ? 31.497 44.287 -17.174 0.50 70.44 ? 79 PHE e CE1 1 +ATOM 41043 C CE1 B PHE W 5 79 ? 28.507 46.604 -11.102 0.50 68.57 ? 79 PHE e CE1 1 +ATOM 41044 C CE2 A PHE W 5 79 ? 31.551 42.521 -15.559 0.50 71.53 ? 79 PHE e CE2 1 +ATOM 41045 C CE2 B PHE W 5 79 ? 27.723 47.326 -13.236 0.50 63.75 ? 79 PHE e CE2 1 +ATOM 41046 C CZ A PHE W 5 79 ? 31.543 42.937 -16.878 0.50 74.12 ? 79 PHE e CZ 1 +ATOM 41047 C CZ B PHE W 5 79 ? 27.510 47.140 -11.890 0.50 56.87 ? 79 PHE e CZ 1 +ATOM 41048 N N . LEU W 5 80 ? 32.889 48.004 -11.832 1.00 77.69 ? 80 LEU e N 1 +ATOM 41049 C CA . LEU W 5 80 ? 32.841 48.901 -10.689 1.00 83.95 ? 80 LEU e CA 1 +ATOM 41050 C C . LEU W 5 80 ? 33.198 50.320 -11.114 1.00 79.62 ? 80 LEU e C 1 +ATOM 41051 O O . LEU W 5 80 ? 32.576 51.281 -10.653 1.00 89.89 ? 80 LEU e O 1 +ATOM 41052 C CB . LEU W 5 80 ? 33.762 48.384 -9.584 1.00 68.20 ? 80 LEU e CB 1 +ATOM 41053 C CG . LEU W 5 80 ? 33.244 47.100 -8.918 1.00 87.70 ? 80 LEU e CG 1 +ATOM 41054 C CD1 . LEU W 5 80 ? 34.269 46.480 -7.964 1.00 74.68 ? 80 LEU e CD1 1 +ATOM 41055 C CD2 . LEU W 5 80 ? 31.911 47.347 -8.207 1.00 79.46 ? 80 LEU e CD2 1 +ATOM 41056 N N . GLU W 5 81 ? 34.168 50.462 -12.029 1.00 85.90 ? 81 GLU e N 1 +ATOM 41057 C CA . GLU W 5 81 ? 34.472 51.763 -12.623 1.00 90.59 ? 81 GLU e CA 1 +ATOM 41058 C C . GLU W 5 81 ? 33.246 52.368 -13.286 1.00 91.70 ? 81 GLU e C 1 +ATOM 41059 O O . GLU W 5 81 ? 33.008 53.573 -13.181 1.00 100.80 ? 81 GLU e O 1 +ATOM 41060 C CB . GLU W 5 81 ? 35.599 51.633 -13.651 1.00 98.41 ? 81 GLU e CB 1 +ATOM 41061 C CG . GLU W 5 81 ? 36.990 51.437 -13.081 1.00 98.02 ? 81 GLU e CG 1 +ATOM 41062 C CD . GLU W 5 81 ? 37.506 52.665 -12.351 1.00 150.57 ? 81 GLU e CD 1 +ATOM 41063 O OE1 . GLU W 5 81 ? 36.882 53.746 -12.465 1.00 146.71 ? 81 GLU e OE1 1 +ATOM 41064 O OE2 . GLU W 5 81 ? 38.544 52.547 -11.660 1.00 178.12 ? 81 GLU e OE2 1 +ATOM 41065 N N . GLN W 5 82 ? 32.455 51.546 -13.975 1.00 103.46 ? 82 GLN e N 1 +ATOM 41066 C CA . GLN W 5 82 ? 31.304 52.039 -14.722 1.00 110.57 ? 82 GLN e CA 1 +ATOM 41067 C C . GLN W 5 82 ? 30.201 52.603 -13.835 1.00 102.59 ? 82 GLN e C 1 +ATOM 41068 O O . GLN W 5 82 ? 29.181 53.048 -14.371 1.00 131.39 ? 82 GLN e O 1 +ATOM 41069 C CB . GLN W 5 82 ? 30.741 50.924 -15.607 1.00 103.84 ? 82 GLN e CB 1 +ATOM 41070 C CG . GLN W 5 82 ? 31.511 50.720 -16.907 1.00 127.06 ? 82 GLN e CG 1 +ATOM 41071 C CD . GLN W 5 82 ? 31.010 49.526 -17.709 1.00 143.87 ? 82 GLN e CD 1 +ATOM 41072 O OE1 . GLN W 5 82 ? 30.177 48.745 -17.231 1.00 133.22 ? 82 GLN e OE1 1 +ATOM 41073 N NE2 . GLN W 5 82 ? 31.518 49.377 -18.935 1.00 142.86 ? 82 GLN e NE2 1 +ATOM 41074 N N . LEU W 5 83 ? 30.357 52.596 -12.514 1.00 104.65 ? 83 LEU e N 1 +ATOM 41075 C CA . LEU W 5 83 ? 29.388 53.231 -11.632 1.00 122.67 ? 83 LEU e CA 1 +ATOM 41076 C C . LEU W 5 83 ? 29.690 54.711 -11.414 1.00 134.99 ? 83 LEU e C 1 +ATOM 41077 O O . LEU W 5 83 ? 29.063 55.338 -10.554 1.00 132.34 ? 83 LEU e O 1 +ATOM 41078 C CB . LEU W 5 83 ? 29.324 52.488 -10.293 1.00 117.76 ? 83 LEU e CB 1 +ATOM 41079 C CG . LEU W 5 83 ? 28.812 51.038 -10.330 1.00 99.53 ? 83 LEU e CG 1 +ATOM 41080 C CD1 . LEU W 5 83 ? 29.129 50.321 -9.035 1.00 86.61 ? 83 LEU e CD1 1 +ATOM 41081 C CD2 . LEU W 5 83 ? 27.316 50.972 -10.606 1.00 89.28 ? 83 LEU e CD2 1 +ATOM 41082 N N . LYS W 5 84 ? 30.632 55.267 -12.181 1.00 166.23 ? 84 LYS e N 1 +ATOM 41083 C CA . LYS W 5 84 ? 30.951 56.699 -12.230 1.00 144.50 ? 84 LYS e CA 1 +ATOM 41084 C C . LYS W 5 84 ? 30.997 57.361 -10.859 1.00 164.99 ? 84 LYS e C 1 +ATOM 41085 O O . LYS W 5 84 ? 31.497 56.775 -9.897 1.00 163.28 ? 84 LYS e O 1 +ATOM 41086 C CB . LYS W 5 84 ? 29.951 57.434 -13.130 1.00 143.61 ? 84 LYS e CB 1 +ATOM 41087 C CG . LYS W 5 84 ? 30.359 57.501 -14.603 1.00 152.23 ? 84 LYS e CG 1 +ATOM 41088 C CD . LYS W 5 84 ? 30.348 56.129 -15.264 1.00 138.35 ? 84 LYS e CD 1 +ATOM 41089 C CE . LYS W 5 84 ? 30.787 56.200 -16.723 1.00 150.91 ? 84 LYS e CE 1 +ATOM 41090 N NZ . LYS W 5 84 ? 30.782 54.858 -17.383 1.00 132.32 ? 84 LYS e NZ 1 +ATOM 41091 O OXT . LYS W 5 84 ? 30.540 58.494 -10.694 1.00 174.93 ? 84 LYS e OXT 1 +ATOM 41092 N N . ILE X 6 14 ? 45.201 28.895 32.367 1.00 155.73 ? 15 ILE f N 1 +ATOM 41093 C CA . ILE X 6 14 ? 45.280 27.845 31.356 1.00 154.43 ? 15 ILE f CA 1 +ATOM 41094 C C . ILE X 6 14 ? 43.892 27.510 30.828 1.00 144.20 ? 15 ILE f C 1 +ATOM 41095 O O . ILE X 6 14 ? 42.990 27.171 31.599 1.00 145.83 ? 15 ILE f O 1 +ATOM 41096 C CB . ILE X 6 14 ? 45.964 26.576 31.910 1.00 155.88 ? 15 ILE f CB 1 +ATOM 41097 C CG1 . ILE X 6 14 ? 47.456 26.824 32.145 1.00 177.28 ? 15 ILE f CG1 1 +ATOM 41098 C CG2 . ILE X 6 14 ? 45.759 25.397 30.968 1.00 145.60 ? 15 ILE f CG2 1 +ATOM 41099 C CD1 . ILE X 6 14 ? 48.222 25.584 32.567 1.00 170.09 ? 15 ILE f CD1 1 +ATOM 41100 N N A PHE X 6 15 ? 43.734 27.576 29.512 0.50 123.08 ? 16 PHE f N 1 +ATOM 41101 N N B PHE X 6 15 ? 43.711 27.634 29.513 0.50 123.10 ? 16 PHE f N 1 +ATOM 41102 C CA A PHE X 6 15 ? 42.466 27.290 28.853 0.50 116.82 ? 16 PHE f CA 1 +ATOM 41103 C CA B PHE X 6 15 ? 42.455 27.277 28.868 0.50 116.82 ? 16 PHE f CA 1 +ATOM 41104 C C A PHE X 6 15 ? 42.499 25.888 28.254 0.50 112.55 ? 16 PHE f C 1 +ATOM 41105 C C B PHE X 6 15 ? 42.526 25.853 28.332 0.50 112.63 ? 16 PHE f C 1 +ATOM 41106 O O A PHE X 6 15 ? 43.464 25.516 27.580 0.50 109.62 ? 16 PHE f O 1 +ATOM 41107 O O B PHE X 6 15 ? 43.566 25.410 27.838 0.50 110.14 ? 16 PHE f O 1 +ATOM 41108 C CB A PHE X 6 15 ? 42.170 28.337 27.778 0.50 113.06 ? 16 PHE f CB 1 +ATOM 41109 C CB B PHE X 6 15 ? 42.085 28.250 27.738 0.50 112.90 ? 16 PHE f CB 1 +ATOM 41110 C CG A PHE X 6 15 ? 41.908 29.714 28.333 0.50 106.12 ? 16 PHE f CG 1 +ATOM 41111 C CG B PHE X 6 15 ? 43.256 28.756 26.933 0.50 108.85 ? 16 PHE f CG 1 +ATOM 41112 C CD1 A PHE X 6 15 ? 41.381 29.872 29.607 0.50 91.81 ? 16 PHE f CD1 1 +ATOM 41113 C CD1 B PHE X 6 15 ? 43.602 30.099 26.969 0.50 110.97 ? 16 PHE f CD1 1 +ATOM 41114 C CD2 A PHE X 6 15 ? 42.194 30.846 27.588 0.50 104.20 ? 16 PHE f CD2 1 +ATOM 41115 C CD2 B PHE X 6 15 ? 43.986 27.906 26.125 0.50 100.20 ? 16 PHE f CD2 1 +ATOM 41116 C CE1 A PHE X 6 15 ? 41.139 31.131 30.122 0.50 89.24 ? 16 PHE f CE1 1 +ATOM 41117 C CE1 B PHE X 6 15 ? 44.662 30.578 26.227 0.50 100.89 ? 16 PHE f CE1 1 +ATOM 41118 C CE2 A PHE X 6 15 ? 41.957 32.108 28.098 0.50 93.83 ? 16 PHE f CE2 1 +ATOM 41119 C CE2 B PHE X 6 15 ? 45.047 28.380 25.382 0.50 104.93 ? 16 PHE f CE2 1 +ATOM 41120 C CZ A PHE X 6 15 ? 41.429 32.250 29.367 0.50 93.22 ? 16 PHE f CZ 1 +ATOM 41121 C CZ B PHE X 6 15 ? 45.386 29.716 25.434 0.50 113.58 ? 16 PHE f CZ 1 +ATOM 41122 N N . THR X 6 16 ? 41.413 25.142 28.447 1.00 93.19 ? 17 THR f N 1 +ATOM 41123 C CA . THR X 6 16 ? 41.320 23.749 28.044 1.00 97.36 ? 17 THR f CA 1 +ATOM 41124 C C . THR X 6 16 ? 40.786 23.604 26.611 1.00 97.79 ? 17 THR f C 1 +ATOM 41125 O O . THR X 6 16 ? 40.374 24.573 25.964 1.00 78.77 ? 17 THR f O 1 +ATOM 41126 C CB . THR X 6 16 ? 40.432 22.992 29.033 1.00 105.25 ? 17 THR f CB 1 +ATOM 41127 O OG1 . THR X 6 16 ? 39.059 23.356 28.834 1.00 81.30 ? 17 THR f OG1 1 +ATOM 41128 C CG2 . THR X 6 16 ? 40.829 23.356 30.454 1.00 110.63 ? 17 THR f CG2 1 +ATOM 41129 N N . VAL X 6 17 ? 40.816 22.359 26.117 1.00 87.57 ? 18 VAL f N 1 +ATOM 41130 C CA . VAL X 6 17 ? 40.273 22.053 24.793 1.00 69.35 ? 18 VAL f CA 1 +ATOM 41131 C C . VAL X 6 17 ? 38.790 22.409 24.733 1.00 69.86 ? 18 VAL f C 1 +ATOM 41132 O O . VAL X 6 17 ? 38.318 23.005 23.759 1.00 64.27 ? 18 VAL f O 1 +ATOM 41133 C CB . VAL X 6 17 ? 40.523 20.569 24.436 1.00 87.79 ? 18 VAL f CB 1 +ATOM 41134 C CG1 . VAL X 6 17 ? 39.755 20.164 23.177 1.00 69.04 ? 18 VAL f CG1 1 +ATOM 41135 C CG2 . VAL X 6 17 ? 42.012 20.291 24.244 1.00 73.86 ? 18 VAL f CG2 1 +ATOM 41136 N N . ARG X 6 18 ? 38.029 22.062 25.774 1.00 69.89 ? 19 ARG f N 1 +ATOM 41137 C CA . ARG X 6 18 ? 36.618 22.429 25.787 1.00 66.87 ? 19 ARG f CA 1 +ATOM 41138 C C . ARG X 6 18 ? 36.432 23.942 25.808 1.00 90.37 ? 19 ARG f C 1 +ATOM 41139 O O . ARG X 6 18 ? 35.463 24.459 25.236 1.00 88.22 ? 19 ARG f O 1 +ATOM 41140 C CB . ARG X 6 18 ? 35.911 21.801 26.983 1.00 86.98 ? 19 ARG f CB 1 +ATOM 41141 C CG . ARG X 6 18 ? 34.409 22.039 26.980 1.00 84.70 ? 19 ARG f CG 1 +ATOM 41142 C CD . ARG X 6 18 ? 33.730 21.503 28.225 1.00 93.02 ? 19 ARG f CD 1 +ATOM 41143 N NE . ARG X 6 18 ? 33.902 22.373 29.381 1.00 104.17 ? 19 ARG f NE 1 +ATOM 41144 C CZ . ARG X 6 18 ? 33.361 22.145 30.572 1.00 107.95 ? 19 ARG f CZ 1 +ATOM 41145 N NH1 . ARG X 6 18 ? 32.613 21.076 30.797 1.00 114.43 ? 19 ARG f NH1 1 +ATOM 41146 N NH2 . ARG X 6 18 ? 33.575 23.009 31.560 1.00 100.47 ? 19 ARG f NH2 1 +ATOM 41147 N N . TRP X 6 19 ? 37.344 24.670 26.455 1.00 79.96 ? 20 TRP f N 1 +ATOM 41148 C CA . TRP X 6 19 ? 37.265 26.126 26.428 1.00 81.58 ? 20 TRP f CA 1 +ATOM 41149 C C . TRP X 6 19 ? 37.448 26.650 25.009 1.00 69.32 ? 20 TRP f C 1 +ATOM 41150 O O . TRP X 6 19 ? 36.676 27.494 24.537 1.00 63.29 ? 20 TRP f O 1 +ATOM 41151 C CB . TRP X 6 19 ? 38.312 26.729 27.368 1.00 78.75 ? 20 TRP f CB 1 +ATOM 41152 C CG . TRP X 6 19 ? 38.177 28.207 27.535 1.00 81.94 ? 20 TRP f CG 1 +ATOM 41153 C CD1 . TRP X 6 19 ? 37.563 28.864 28.568 1.00 90.08 ? 20 TRP f CD1 1 +ATOM 41154 C CD2 . TRP X 6 19 ? 38.656 29.221 26.642 1.00 74.88 ? 20 TRP f CD2 1 +ATOM 41155 N NE1 . TRP X 6 19 ? 37.636 30.227 28.373 1.00 86.62 ? 20 TRP f NE1 1 +ATOM 41156 C CE2 . TRP X 6 19 ? 38.299 30.471 27.198 1.00 87.87 ? 20 TRP f CE2 1 +ATOM 41157 C CE3 . TRP X 6 19 ? 39.352 29.197 25.431 1.00 81.38 ? 20 TRP f CE3 1 +ATOM 41158 C CZ2 . TRP X 6 19 ? 38.611 31.680 26.582 1.00 78.45 ? 20 TRP f CZ2 1 +ATOM 41159 C CZ3 . TRP X 6 19 ? 39.658 30.401 24.815 1.00 91.37 ? 20 TRP f CZ3 1 +ATOM 41160 C CH2 . TRP X 6 19 ? 39.290 31.625 25.394 1.00 93.94 ? 20 TRP f CH2 1 +ATOM 41161 N N . VAL X 6 20 ? 38.488 26.170 24.323 1.00 65.45 ? 21 VAL f N 1 +ATOM 41162 C CA . VAL X 6 20 ? 38.727 26.559 22.938 1.00 65.49 ? 21 VAL f CA 1 +ATOM 41163 C C . VAL X 6 20 ? 37.520 26.207 22.076 1.00 67.28 ? 21 VAL f C 1 +ATOM 41164 O O . VAL X 6 20 ? 37.040 27.024 21.285 1.00 72.29 ? 21 VAL f O 1 +ATOM 41165 C CB . VAL X 6 20 ? 40.008 25.890 22.413 1.00 72.73 ? 21 VAL f CB 1 +ATOM 41166 C CG1 . VAL X 6 20 ? 40.202 26.195 20.939 1.00 69.74 ? 21 VAL f CG1 1 +ATOM 41167 C CG2 . VAL X 6 20 ? 41.218 26.336 23.221 1.00 85.28 ? 21 VAL f CG2 1 +ATOM 41168 N N . ALA X 6 21 ? 36.998 24.989 22.238 1.00 72.43 ? 22 ALA f N 1 +ATOM 41169 C CA . ALA X 6 21 ? 35.893 24.529 21.401 1.00 81.25 ? 22 ALA f CA 1 +ATOM 41170 C C . ALA X 6 21 ? 34.666 25.421 21.549 1.00 80.89 ? 22 ALA f C 1 +ATOM 41171 O O . ALA X 6 21 ? 33.991 25.732 20.560 1.00 78.58 ? 22 ALA f O 1 +ATOM 41172 C CB . ALA X 6 21 ? 35.542 23.084 21.747 1.00 66.50 ? 22 ALA f CB 1 +ATOM 41173 N N . VAL X 6 22 ? 34.361 25.842 22.775 1.00 77.78 ? 23 VAL f N 1 +ATOM 41174 C CA . VAL X 6 22 ? 33.186 26.678 22.998 1.00 65.20 ? 23 VAL f CA 1 +ATOM 41175 C C . VAL X 6 22 ? 33.373 28.058 22.372 1.00 69.93 ? 23 VAL f C 1 +ATOM 41176 O O . VAL X 6 22 ? 32.457 28.599 21.736 1.00 69.31 ? 23 VAL f O 1 +ATOM 41177 C CB . VAL X 6 22 ? 32.892 26.771 24.505 1.00 73.72 ? 23 VAL f CB 1 +ATOM 41178 C CG1 . VAL X 6 22 ? 31.891 27.883 24.788 1.00 65.69 ? 23 VAL f CG1 1 +ATOM 41179 C CG2 . VAL X 6 22 ? 32.387 25.423 25.023 1.00 63.59 ? 23 VAL f CG2 1 +ATOM 41180 N N . HIS X 6 23 ? 34.555 28.653 22.525 1.00 68.29 ? 24 HIS f N 1 +ATOM 41181 C CA . HIS X 6 23 ? 34.676 30.055 22.143 1.00 71.56 ? 24 HIS f CA 1 +ATOM 41182 C C . HIS X 6 23 ? 34.886 30.238 20.642 1.00 66.18 ? 24 HIS f C 1 +ATOM 41183 O O . HIS X 6 23 ? 34.480 31.269 20.093 1.00 63.90 ? 24 HIS f O 1 +ATOM 41184 C CB . HIS X 6 23 ? 35.793 30.722 22.956 1.00 61.34 ? 24 HIS f CB 1 +ATOM 41185 C CG . HIS X 6 23 ? 35.438 30.936 24.397 1.00 79.30 ? 24 HIS f CG 1 +ATOM 41186 N ND1 . HIS X 6 23 ? 35.573 29.952 25.355 1.00 82.96 ? 24 HIS f ND1 1 +ATOM 41187 C CD2 . HIS X 6 23 ? 34.927 32.014 25.039 1.00 77.54 ? 24 HIS f CD2 1 +ATOM 41188 C CE1 . HIS X 6 23 ? 35.172 30.418 26.523 1.00 79.11 ? 24 HIS f CE1 1 +ATOM 41189 N NE2 . HIS X 6 23 ? 34.785 31.670 26.361 1.00 84.36 ? 24 HIS f NE2 1 +ATOM 41190 N N . THR X 6 24 ? 35.507 29.267 19.958 1.00 69.87 ? 25 THR f N 1 +ATOM 41191 C CA . THR X 6 24 ? 35.662 29.390 18.509 1.00 71.32 ? 25 THR f CA 1 +ATOM 41192 C C . THR X 6 24 ? 34.308 29.418 17.810 1.00 58.50 ? 25 THR f C 1 +ATOM 41193 O O . THR X 6 24 ? 34.178 29.999 16.733 1.00 68.68 ? 25 THR f O 1 +ATOM 41194 C CB . THR X 6 24 ? 36.520 28.255 17.953 1.00 69.96 ? 25 THR f CB 1 +ATOM 41195 O OG1 . THR X 6 24 ? 35.916 27.005 18.290 1.00 84.35 ? 25 THR f OG1 1 +ATOM 41196 C CG2 . THR X 6 24 ? 37.921 28.299 18.531 1.00 68.75 ? 25 THR f CG2 1 +ATOM 41197 N N . LEU X 6 25 ? 33.293 28.812 18.413 1.00 66.88 ? 26 LEU f N 1 +ATOM 41198 C CA . LEU X 6 25 ? 31.930 28.944 17.926 1.00 67.90 ? 26 LEU f CA 1 +ATOM 41199 C C . LEU X 6 25 ? 31.229 30.165 18.502 1.00 70.56 ? 26 LEU f C 1 +ATOM 41200 O O . LEU X 6 25 ? 30.583 30.911 17.756 1.00 71.89 ? 26 LEU f O 1 +ATOM 41201 C CB . LEU X 6 25 ? 31.128 27.683 18.265 1.00 75.21 ? 26 LEU f CB 1 +ATOM 41202 C CG . LEU X 6 25 ? 31.564 26.407 17.540 1.00 78.78 ? 26 LEU f CG 1 +ATOM 41203 C CD1 . LEU X 6 25 ? 30.644 25.273 17.894 1.00 77.57 ? 26 LEU f CD1 1 +ATOM 41204 C CD2 . LEU X 6 25 ? 31.603 26.615 16.023 1.00 67.41 ? 26 LEU f CD2 1 +ATOM 41205 N N . ALA X 6 26 ? 31.366 30.404 19.812 1.00 64.99 ? 27 ALA f N 1 +ATOM 41206 C CA . ALA X 6 26 ? 30.528 31.401 20.476 1.00 69.00 ? 27 ALA f CA 1 +ATOM 41207 C C . ALA X 6 26 ? 30.953 32.827 20.140 1.00 69.63 ? 27 ALA f C 1 +ATOM 41208 O O . ALA X 6 26 ? 30.105 33.728 20.049 1.00 66.70 ? 27 ALA f O 1 +ATOM 41209 C CB . ALA X 6 26 ? 30.553 31.181 21.988 1.00 68.68 ? 27 ALA f CB 1 +ATOM 41210 N N . VAL X 6 27 ? 32.249 33.068 19.971 1.00 56.93 ? 28 VAL f N 1 +ATOM 41211 C CA . VAL X 6 27 ? 32.714 34.437 19.745 1.00 58.09 ? 28 VAL f CA 1 +ATOM 41212 C C . VAL X 6 27 ? 32.232 34.934 18.383 1.00 66.56 ? 28 VAL f C 1 +ATOM 41213 O O . VAL X 6 27 ? 31.632 36.016 18.325 1.00 69.76 ? 28 VAL f O 1 +ATOM 41214 C CB . VAL X 6 27 ? 34.243 34.544 19.895 1.00 72.34 ? 28 VAL f CB 1 +ATOM 41215 C CG1 . VAL X 6 27 ? 34.747 35.865 19.331 1.00 62.35 ? 28 VAL f CG1 1 +ATOM 41216 C CG2 . VAL X 6 27 ? 34.660 34.359 21.369 1.00 63.04 ? 28 VAL f CG2 1 +ATOM 41217 N N . PRO X 6 28 ? 32.437 34.204 17.270 1.00 77.52 ? 29 PRO f N 1 +ATOM 41218 C CA . PRO X 6 28 ? 31.898 34.696 15.986 1.00 60.23 ? 29 PRO f CA 1 +ATOM 41219 C C . PRO X 6 28 ? 30.377 34.775 15.950 1.00 56.41 ? 29 PRO f C 1 +ATOM 41220 O O . PRO X 6 28 ? 29.841 35.673 15.283 1.00 61.99 ? 29 PRO f O 1 +ATOM 41221 C CB . PRO X 6 28 ? 32.442 33.687 14.961 1.00 62.76 ? 29 PRO f CB 1 +ATOM 41222 C CG . PRO X 6 28 ? 33.590 33.015 15.635 1.00 72.58 ? 29 PRO f CG 1 +ATOM 41223 C CD . PRO X 6 28 ? 33.222 32.968 17.081 1.00 67.84 ? 29 PRO f CD 1 +ATOM 41224 N N . THR X 6 29 ? 29.672 33.868 16.642 1.00 60.17 ? 30 THR f N 1 +ATOM 41225 C CA . THR X 6 29 ? 28.207 33.888 16.660 1.00 58.54 ? 30 THR f CA 1 +ATOM 41226 C C . THR X 6 29 ? 27.668 35.230 17.154 1.00 65.06 ? 30 THR f C 1 +ATOM 41227 O O . THR X 6 29 ? 26.808 35.843 16.507 1.00 76.43 ? 30 THR f O 1 +ATOM 41228 C CB . THR X 6 29 ? 27.678 32.750 17.537 1.00 63.30 ? 30 THR f CB 1 +ATOM 41229 O OG1 . THR X 6 29 ? 28.018 31.495 16.948 1.00 66.62 ? 30 THR f OG1 1 +ATOM 41230 C CG2 . THR X 6 29 ? 26.159 32.823 17.688 1.00 57.21 ? 30 THR f CG2 1 +ATOM 41231 N N . ILE X 6 30 ? 28.166 35.707 18.302 1.00 65.32 ? 31 ILE f N 1 +ATOM 41232 C CA . ILE X 6 30 ? 27.687 36.977 18.851 1.00 65.08 ? 31 ILE f CA 1 +ATOM 41233 C C . ILE X 6 30 ? 28.014 38.120 17.898 1.00 67.28 ? 31 ILE f C 1 +ATOM 41234 O O . ILE X 6 30 ? 27.182 39.002 17.642 1.00 65.30 ? 31 ILE f O 1 +ATOM 41235 C CB . ILE X 6 30 ? 28.282 37.225 20.254 1.00 72.74 ? 31 ILE f CB 1 +ATOM 41236 C CG1 . ILE X 6 30 ? 27.799 36.170 21.258 1.00 60.62 ? 31 ILE f CG1 1 +ATOM 41237 C CG2 . ILE X 6 30 ? 27.971 38.640 20.729 1.00 60.54 ? 31 ILE f CG2 1 +ATOM 41238 C CD1 . ILE X 6 30 ? 26.368 35.732 21.080 1.00 64.18 ? 31 ILE f CD1 1 +ATOM 41239 N N . PHE X 6 31 ? 29.233 38.122 17.357 1.00 56.69 ? 32 PHE f N 1 +ATOM 41240 C CA . PHE X 6 31 ? 29.605 39.142 16.398 1.00 53.49 ? 32 PHE f CA 1 +ATOM 41241 C C . PHE X 6 31 ? 28.657 39.131 15.197 1.00 70.91 ? 32 PHE f C 1 +ATOM 41242 O O . PHE X 6 31 ? 28.198 40.187 14.743 1.00 61.51 ? 32 PHE f O 1 +ATOM 41243 C CB . PHE X 6 31 ? 31.054 38.916 15.970 1.00 60.42 ? 32 PHE f CB 1 +ATOM 41244 C CG . PHE X 6 31 ? 31.540 39.879 14.923 1.00 63.48 ? 32 PHE f CG 1 +ATOM 41245 C CD1 . PHE X 6 31 ? 31.266 39.663 13.579 1.00 66.66 ? 32 PHE f CD1 1 +ATOM 41246 C CD2 . PHE X 6 31 ? 32.283 40.986 15.280 1.00 64.28 ? 32 PHE f CD2 1 +ATOM 41247 C CE1 . PHE X 6 31 ? 31.712 40.543 12.609 1.00 74.78 ? 32 PHE f CE1 1 +ATOM 41248 C CE2 . PHE X 6 31 ? 32.734 41.875 14.315 1.00 74.28 ? 32 PHE f CE2 1 +ATOM 41249 C CZ . PHE X 6 31 ? 32.448 41.655 12.979 1.00 71.86 ? 32 PHE f CZ 1 +ATOM 41250 N N . PHE X 6 32 ? 28.344 37.942 14.674 1.00 64.93 ? 33 PHE f N 1 +ATOM 41251 C CA . PHE X 6 32 ? 27.469 37.855 13.505 1.00 64.10 ? 33 PHE f CA 1 +ATOM 41252 C C . PHE X 6 32 ? 26.051 38.301 13.833 1.00 55.67 ? 33 PHE f C 1 +ATOM 41253 O O . PHE X 6 32 ? 25.383 38.921 12.998 1.00 63.47 ? 33 PHE f O 1 +ATOM 41254 C CB . PHE X 6 32 ? 27.453 36.424 12.969 1.00 60.06 ? 33 PHE f CB 1 +ATOM 41255 C CG . PHE X 6 32 ? 28.481 36.173 11.920 1.00 66.79 ? 33 PHE f CG 1 +ATOM 41256 C CD1 . PHE X 6 32 ? 29.824 36.347 12.206 1.00 53.92 ? 33 PHE f CD1 1 +ATOM 41257 C CD2 . PHE X 6 32 ? 28.102 35.772 10.645 1.00 54.30 ? 33 PHE f CD2 1 +ATOM 41258 C CE1 . PHE X 6 32 ? 30.781 36.131 11.261 1.00 54.37 ? 33 PHE f CE1 1 +ATOM 41259 C CE2 . PHE X 6 32 ? 29.066 35.537 9.666 1.00 63.76 ? 33 PHE f CE2 1 +ATOM 41260 C CZ . PHE X 6 32 ? 30.411 35.723 9.971 1.00 66.08 ? 33 PHE f CZ 1 +ATOM 41261 N N . LEU X 6 33 ? 25.565 37.966 15.030 1.00 60.29 ? 34 LEU f N 1 +ATOM 41262 C CA . LEU X 6 33 ? 24.216 38.356 15.427 1.00 61.37 ? 34 LEU f CA 1 +ATOM 41263 C C . LEU X 6 33 ? 24.085 39.875 15.552 1.00 76.10 ? 34 LEU f C 1 +ATOM 41264 O O . LEU X 6 33 ? 23.029 40.447 15.237 1.00 64.33 ? 34 LEU f O 1 +ATOM 41265 C CB . LEU X 6 33 ? 23.852 37.670 16.743 1.00 62.04 ? 34 LEU f CB 1 +ATOM 41266 C CG . LEU X 6 33 ? 23.493 36.191 16.638 1.00 67.54 ? 34 LEU f CG 1 +ATOM 41267 C CD1 . LEU X 6 33 ? 23.155 35.635 18.019 1.00 68.40 ? 34 LEU f CD1 1 +ATOM 41268 C CD2 . LEU X 6 33 ? 22.312 36.024 15.686 1.00 64.71 ? 34 LEU f CD2 1 +ATOM 41269 N N . GLY X 6 34 ? 25.141 40.548 16.016 1.00 61.93 ? 35 GLY f N 1 +ATOM 41270 C CA . GLY X 6 34 ? 25.106 42.003 16.046 1.00 58.36 ? 35 GLY f CA 1 +ATOM 41271 C C . GLY X 6 34 ? 25.068 42.593 14.653 1.00 60.75 ? 35 GLY f C 1 +ATOM 41272 O O . GLY X 6 34 ? 24.307 43.532 14.384 1.00 63.69 ? 35 GLY f O 1 +ATOM 41273 N N . ALA X 6 35 ? 25.873 42.032 13.742 1.00 68.35 ? 36 ALA f N 1 +ATOM 41274 C CA . ALA X 6 35 ? 25.880 42.479 12.345 1.00 65.16 ? 36 ALA f CA 1 +ATOM 41275 C C . ALA X 6 35 ? 24.522 42.276 11.678 1.00 55.21 ? 36 ALA f C 1 +ATOM 41276 O O . ALA X 6 35 ? 24.035 43.162 10.967 1.00 58.96 ? 36 ALA f O 1 +ATOM 41277 C CB . ALA X 6 35 ? 26.977 41.753 11.573 1.00 54.88 ? 36 ALA f CB 1 +ATOM 41278 N N . ILE X 6 36 ? 23.884 41.132 11.908 1.00 56.87 ? 37 ILE f N 1 +ATOM 41279 C CA . ILE X 6 36 ? 22.575 40.907 11.300 1.00 62.12 ? 37 ILE f CA 1 +ATOM 41280 C C . ILE X 6 36 ? 21.512 41.793 11.950 1.00 57.13 ? 37 ILE f C 1 +ATOM 41281 O O . ILE X 6 36 ? 20.560 42.222 11.284 1.00 61.46 ? 37 ILE f O 1 +ATOM 41282 C CB . ILE X 6 36 ? 22.202 39.406 11.368 1.00 60.29 ? 37 ILE f CB 1 +ATOM 41283 C CG1 . ILE X 6 36 ? 23.236 38.557 10.624 1.00 54.83 ? 37 ILE f CG1 1 +ATOM 41284 C CG2 . ILE X 6 36 ? 20.826 39.165 10.778 1.00 55.84 ? 37 ILE f CG2 1 +ATOM 41285 C CD1 . ILE X 6 36 ? 23.077 37.066 10.844 1.00 59.82 ? 37 ILE f CD1 1 +ATOM 41286 N N . ALA X 6 37 ? 21.635 42.073 13.250 1.00 60.35 ? 38 ALA f N 1 +ATOM 41287 C CA . ALA X 6 37 ? 20.710 43.008 13.893 1.00 59.36 ? 38 ALA f CA 1 +ATOM 41288 C C . ALA X 6 37 ? 20.798 44.387 13.243 1.00 66.75 ? 38 ALA f C 1 +ATOM 41289 O O . ALA X 6 37 ? 19.777 44.991 12.895 1.00 62.81 ? 38 ALA f O 1 +ATOM 41290 C CB . ALA X 6 37 ? 21.000 43.086 15.392 1.00 65.65 ? 38 ALA f CB 1 +ATOM 41291 N N . ALA X 6 38 ? 22.023 44.871 13.020 1.00 59.21 ? 39 ALA f N 1 +ATOM 41292 C CA . ALA X 6 38 ? 22.216 46.142 12.331 1.00 67.07 ? 39 ALA f CA 1 +ATOM 41293 C C . ALA X 6 38 ? 21.539 46.160 10.960 1.00 78.36 ? 39 ALA f C 1 +ATOM 41294 O O . ALA X 6 38 ? 20.972 47.184 10.557 1.00 61.81 ? 39 ALA f O 1 +ATOM 41295 C CB . ALA X 6 38 ? 23.711 46.441 12.196 1.00 60.86 ? 39 ALA f CB 1 +ATOM 41296 N N . MET X 6 39 ? 21.574 45.035 10.226 1.00 70.99 ? 40 MET f N 1 +ATOM 41297 C CA . MET X 6 39 ? 21.016 45.036 8.876 1.00 59.81 ? 40 MET f CA 1 +ATOM 41298 C C . MET X 6 39 ? 19.512 45.277 8.860 1.00 56.88 ? 40 MET f C 1 +ATOM 41299 O O . MET X 6 39 ? 18.984 45.722 7.836 1.00 63.64 ? 40 MET f O 1 +ATOM 41300 C CB . MET X 6 39 ? 21.316 43.719 8.162 1.00 66.34 ? 40 MET f CB 1 +ATOM 41301 C CG . MET X 6 39 ? 22.801 43.395 7.998 1.00 70.30 ? 40 MET f CG 1 +ATOM 41302 S SD . MET X 6 39 ? 22.999 41.640 7.600 1.00 64.55 ? 40 MET f SD 1 +ATOM 41303 C CE . MET X 6 39 ? 24.797 41.428 7.640 1.00 52.92 ? 40 MET f CE 1 +ATOM 41304 N N . GLN X 6 40 ? 18.807 45.009 9.959 1.00 58.89 ? 41 GLN f N 1 +ATOM 41305 C CA . GLN X 6 40 ? 17.360 45.189 9.935 1.00 62.31 ? 41 GLN f CA 1 +ATOM 41306 C C . GLN X 6 40 ? 16.949 46.644 9.773 1.00 72.09 ? 41 GLN f C 1 +ATOM 41307 O O . GLN X 6 40 ? 15.776 46.904 9.489 1.00 69.16 ? 41 GLN f O 1 +ATOM 41308 C CB . GLN X 6 40 ? 16.716 44.629 11.205 1.00 57.11 ? 41 GLN f CB 1 +ATOM 41309 C CG . GLN X 6 40 ? 17.111 43.210 11.539 1.00 59.19 ? 41 GLN f CG 1 +ATOM 41310 C CD . GLN X 6 40 ? 17.096 42.291 10.315 1.00 70.43 ? 41 GLN f CD 1 +ATOM 41311 O OE1 . GLN X 6 40 ? 16.117 42.239 9.562 1.00 62.02 ? 41 GLN f OE1 1 +ATOM 41312 N NE2 . GLN X 6 40 ? 18.187 41.573 10.115 1.00 58.50 ? 41 GLN f NE2 1 +ATOM 41313 N N . PHE X 6 41 ? 17.876 47.589 9.930 1.00 62.61 ? 42 PHE f N 1 +ATOM 41314 C CA . PHE X 6 41 ? 17.573 49.006 9.787 1.00 79.92 ? 42 PHE f CA 1 +ATOM 41315 C C . PHE X 6 41 ? 18.125 49.598 8.497 1.00 74.08 ? 42 PHE f C 1 +ATOM 41316 O O . PHE X 6 41 ? 17.892 50.778 8.224 1.00 84.51 ? 42 PHE f O 1 +ATOM 41317 C CB . PHE X 6 41 ? 18.084 49.764 11.023 1.00 64.24 ? 42 PHE f CB 1 +ATOM 41318 C CG . PHE X 6 41 ? 17.501 49.245 12.289 1.00 69.87 ? 42 PHE f CG 1 +ATOM 41319 C CD1 . PHE X 6 41 ? 16.212 49.594 12.662 1.00 73.07 ? 42 PHE f CD1 1 +ATOM 41320 C CD2 . PHE X 6 41 ? 18.200 48.334 13.071 1.00 70.95 ? 42 PHE f CD2 1 +ATOM 41321 C CE1 . PHE X 6 41 ? 15.637 49.080 13.823 1.00 77.65 ? 42 PHE f CE1 1 +ATOM 41322 C CE2 . PHE X 6 41 ? 17.635 47.813 14.232 1.00 70.58 ? 42 PHE f CE2 1 +ATOM 41323 C CZ . PHE X 6 41 ? 16.351 48.186 14.606 1.00 72.16 ? 42 PHE f CZ 1 +ATOM 41324 N N . ILE X 6 42 ? 18.824 48.805 7.686 1.00 70.19 ? 43 ILE f N 1 +ATOM 41325 C CA . ILE X 6 42 ? 19.249 49.275 6.377 1.00 59.76 ? 43 ILE f CA 1 +ATOM 41326 C C . ILE X 6 42 ? 18.025 49.497 5.505 1.00 70.36 ? 43 ILE f C 1 +ATOM 41327 O O . ILE X 6 42 ? 17.098 48.677 5.481 1.00 67.45 ? 43 ILE f O 1 +ATOM 41328 C CB . ILE X 6 42 ? 20.215 48.285 5.721 1.00 64.53 ? 43 ILE f CB 1 +ATOM 41329 C CG1 . ILE X 6 42 ? 21.417 48.044 6.624 1.00 62.75 ? 43 ILE f CG1 1 +ATOM 41330 C CG2 . ILE X 6 42 ? 20.661 48.818 4.346 1.00 61.75 ? 43 ILE f CG2 1 +ATOM 41331 C CD1 . ILE X 6 42 ? 22.433 47.139 5.996 1.00 68.62 ? 43 ILE f CD1 1 +ATOM 41332 N N . GLN X 6 43 ? 18.010 50.620 4.801 1.00 67.65 ? 44 GLN f N 1 +ATOM 41333 C CA . GLN X 6 43 ? 16.911 51.022 3.945 1.00 74.27 ? 44 GLN f CA 1 +ATOM 41334 C C . GLN X 6 43 ? 17.460 51.212 2.537 1.00 70.42 ? 44 GLN f C 1 +ATOM 41335 O O . GLN X 6 43 ? 18.611 51.622 2.365 1.00 71.65 ? 44 GLN f O 1 +ATOM 41336 C CB . GLN X 6 43 ? 16.283 52.305 4.475 1.00 78.61 ? 44 GLN f CB 1 +ATOM 41337 C CG . GLN X 6 43 ? 14.864 52.566 4.029 1.00 120.54 ? 44 GLN f CG 1 +ATOM 41338 C CD . GLN X 6 43 ? 13.827 51.980 4.975 1.00 131.55 ? 44 GLN f CD 1 +ATOM 41339 O OE1 . GLN X 6 43 ? 14.026 51.934 6.194 1.00 111.77 ? 44 GLN f OE1 1 +ATOM 41340 N NE2 . GLN X 6 43 ? 12.708 51.522 4.411 1.00 137.45 ? 44 GLN f NE2 1 +ATOM 41341 N N . ARG X 6 44 ? 16.672 50.875 1.525 1.00 71.59 ? 45 ARG f N 1 +ATOM 41342 C CA . ARG X 6 44 ? 17.168 51.063 0.165 1.00 77.93 ? 45 ARG f CA 1 +ATOM 41343 C C . ARG X 6 44 ? 17.091 52.541 -0.194 1.00 81.91 ? 45 ARG f C 1 +ATOM 41344 O O . ARG X 6 44 ? 17.852 53.010 -1.038 1.00 81.64 ? 45 ARG f O 1 +ATOM 41345 C CB . ARG X 6 44 ? 16.393 50.219 -0.848 1.00 73.34 ? 45 ARG f CB 1 +ATOM 41346 C CG . ARG X 6 44 ? 14.958 50.640 -1.078 1.00 68.21 ? 45 ARG f CG 1 +ATOM 41347 C CD . ARG X 6 44 ? 14.240 49.618 -1.957 1.00 68.17 ? 45 ARG f CD 1 +ATOM 41348 N NE . ARG X 6 44 ? 12.854 50.003 -2.181 1.00 63.70 ? 45 ARG f NE 1 +ATOM 41349 C CZ . ARG X 6 44 ? 12.466 50.805 -3.161 1.00 81.33 ? 45 ARG f CZ 1 +ATOM 41350 N NH1 . ARG X 6 44 ? 13.334 51.282 -4.047 1.00 54.84 ? 45 ARG f NH1 1 +ATOM 41351 N NH2 . ARG X 6 44 ? 11.179 51.139 -3.255 1.00 56.37 ? 45 ARG f NH2 1 +ATOM 41352 O OXT . ARG X 6 44 ? 16.281 53.286 0.373 1.00 79.26 ? 45 ARG f OXT 1 +ATOM 41353 N N . ALA Y 7 1 ? 52.647 -32.100 2.620 1.00 94.46 ? 2 ALA h N 1 +ATOM 41354 C CA . ALA Y 7 1 ? 52.814 -31.244 1.445 1.00 89.89 ? 2 ALA h CA 1 +ATOM 41355 C C . ALA Y 7 1 ? 53.500 -32.004 0.306 1.00 85.59 ? 2 ALA h C 1 +ATOM 41356 O O . ALA Y 7 1 ? 53.970 -33.127 0.490 1.00 110.62 ? 2 ALA h O 1 +ATOM 41357 C CB . ALA Y 7 1 ? 53.600 -29.994 1.807 1.00 79.56 ? 2 ALA h CB 1 +ATOM 41358 N N A ARG Y 7 2 ? 53.532 -31.398 -0.877 0.50 71.44 ? 3 ARG h N 1 +ATOM 41359 N N B ARG Y 7 2 ? 53.573 -31.362 -0.859 0.50 71.46 ? 3 ARG h N 1 +ATOM 41360 C CA A ARG Y 7 2 ? 54.142 -31.988 -2.063 0.50 74.77 ? 3 ARG h CA 1 +ATOM 41361 C CA B ARG Y 7 2 ? 54.106 -31.954 -2.082 0.50 74.72 ? 3 ARG h CA 1 +ATOM 41362 C C A ARG Y 7 2 ? 55.264 -31.080 -2.541 0.50 71.38 ? 3 ARG h C 1 +ATOM 41363 C C B ARG Y 7 2 ? 55.242 -31.079 -2.599 0.50 71.36 ? 3 ARG h C 1 +ATOM 41364 O O A ARG Y 7 2 ? 55.032 -29.906 -2.852 0.50 71.39 ? 3 ARG h O 1 +ATOM 41365 O O B ARG Y 7 2 ? 55.020 -29.909 -2.934 0.50 71.48 ? 3 ARG h O 1 +ATOM 41366 C CB A ARG Y 7 2 ? 53.112 -32.201 -3.175 0.50 68.20 ? 3 ARG h CB 1 +ATOM 41367 C CB B ARG Y 7 2 ? 52.989 -32.095 -3.126 0.50 68.13 ? 3 ARG h CB 1 +ATOM 41368 C CG A ARG Y 7 2 ? 53.713 -32.264 -4.582 0.50 77.25 ? 3 ARG h CG 1 +ATOM 41369 C CG B ARG Y 7 2 ? 53.403 -32.672 -4.472 0.50 80.74 ? 3 ARG h CG 1 +ATOM 41370 C CD A ARG Y 7 2 ? 53.072 -33.363 -5.433 0.50 87.14 ? 3 ARG h CD 1 +ATOM 41371 C CD B ARG Y 7 2 ? 52.197 -32.809 -5.419 0.50 81.84 ? 3 ARG h CD 1 +ATOM 41372 N NE A ARG Y 7 2 ? 53.144 -33.082 -6.863 0.50 80.21 ? 3 ARG h NE 1 +ATOM 41373 N NE B ARG Y 7 2 ? 51.531 -34.108 -5.338 0.50 86.09 ? 3 ARG h NE 1 +ATOM 41374 C CZ A ARG Y 7 2 ? 52.735 -33.914 -7.812 0.50 86.64 ? 3 ARG h CZ 1 +ATOM 41375 C CZ B ARG Y 7 2 ? 50.457 -34.366 -4.602 0.50 77.68 ? 3 ARG h CZ 1 +ATOM 41376 N NH1 A ARG Y 7 2 ? 52.260 -35.114 -7.519 0.50 94.92 ? 3 ARG h NH1 1 +ATOM 41377 N NH1 B ARG Y 7 2 ? 49.902 -33.440 -3.838 0.50 59.99 ? 3 ARG h NH1 1 +ATOM 41378 N NH2 A ARG Y 7 2 ? 52.803 -33.532 -9.086 0.50 74.32 ? 3 ARG h NH2 1 +ATOM 41379 N NH2 B ARG Y 7 2 ? 49.925 -35.584 -4.637 0.50 79.89 ? 3 ARG h NH2 1 +ATOM 41380 N N . ARG Y 7 3 ? 56.459 -31.629 -2.634 1.00 69.86 ? 4 ARG h N 1 +ATOM 41381 C CA . ARG Y 7 3 ? 57.576 -30.894 -3.190 1.00 75.95 ? 4 ARG h CA 1 +ATOM 41382 C C . ARG Y 7 3 ? 57.509 -30.988 -4.703 1.00 83.48 ? 4 ARG h C 1 +ATOM 41383 O O . ARG Y 7 3 ? 57.072 -32.003 -5.253 1.00 70.19 ? 4 ARG h O 1 +ATOM 41384 C CB . ARG Y 7 3 ? 58.899 -31.447 -2.664 1.00 78.77 ? 4 ARG h CB 1 +ATOM 41385 C CG . ARG Y 7 3 ? 59.064 -31.251 -1.155 1.00 97.01 ? 4 ARG h CG 1 +ATOM 41386 C CD . ARG Y 7 3 ? 60.438 -31.693 -0.673 1.00 89.88 ? 4 ARG h CD 1 +ATOM 41387 N NE . ARG Y 7 3 ? 61.502 -30.973 -1.360 1.00 101.84 ? 4 ARG h NE 1 +ATOM 41388 C CZ . ARG Y 7 3 ? 62.743 -31.421 -1.492 1.00 112.40 ? 4 ARG h CZ 1 +ATOM 41389 N NH1 . ARG Y 7 3 ? 63.112 -32.590 -0.995 1.00 128.73 ? 4 ARG h NH1 1 +ATOM 41390 N NH2 . ARG Y 7 3 ? 63.635 -30.681 -2.148 1.00 122.69 ? 4 ARG h NH2 1 +ATOM 41391 N N . THR Y 7 4 ? 57.890 -29.904 -5.379 1.00 62.05 ? 5 THR h N 1 +ATOM 41392 C CA . THR Y 7 4 ? 58.098 -29.949 -6.811 1.00 60.80 ? 5 THR h CA 1 +ATOM 41393 C C . THR Y 7 4 ? 59.427 -29.286 -7.125 1.00 70.66 ? 5 THR h C 1 +ATOM 41394 O O . THR Y 7 4 ? 60.012 -28.581 -6.299 1.00 72.37 ? 5 THR h O 1 +ATOM 41395 C CB . THR Y 7 4 ? 56.969 -29.263 -7.613 1.00 63.54 ? 5 THR h CB 1 +ATOM 41396 O OG1 . THR Y 7 4 ? 56.935 -27.857 -7.313 1.00 65.85 ? 5 THR h OG1 1 +ATOM 41397 C CG2 . THR Y 7 4 ? 55.624 -29.884 -7.293 1.00 61.11 ? 5 THR h CG2 1 +ATOM 41398 N N . TRP Y 7 5 ? 59.896 -29.540 -8.341 1.00 68.89 ? 6 TRP h N 1 +ATOM 41399 C CA . TRP Y 7 5 ? 61.140 -28.948 -8.801 1.00 73.04 ? 6 TRP h CA 1 +ATOM 41400 C C . TRP Y 7 5 ? 61.056 -27.423 -8.791 1.00 81.02 ? 6 TRP h C 1 +ATOM 41401 O O . TRP Y 7 5 ? 61.940 -26.738 -8.258 1.00 77.68 ? 6 TRP h O 1 +ATOM 41402 C CB . TRP Y 7 5 ? 61.455 -29.495 -10.194 1.00 73.17 ? 6 TRP h CB 1 +ATOM 41403 C CG . TRP Y 7 5 ? 62.522 -28.777 -10.897 1.00 91.68 ? 6 TRP h CG 1 +ATOM 41404 C CD1 . TRP Y 7 5 ? 63.866 -28.989 -10.790 1.00 100.44 ? 6 TRP h CD1 1 +ATOM 41405 C CD2 . TRP Y 7 5 ? 62.353 -27.714 -11.837 1.00 99.18 ? 6 TRP h CD2 1 +ATOM 41406 N NE1 . TRP Y 7 5 ? 64.545 -28.118 -11.605 1.00 106.60 ? 6 TRP h NE1 1 +ATOM 41407 C CE2 . TRP Y 7 5 ? 63.638 -27.323 -12.259 1.00 108.78 ? 6 TRP h CE2 1 +ATOM 41408 C CE3 . TRP Y 7 5 ? 61.238 -27.051 -12.361 1.00 91.65 ? 6 TRP h CE3 1 +ATOM 41409 C CZ2 . TRP Y 7 5 ? 63.839 -26.300 -13.182 1.00 99.55 ? 6 TRP h CZ2 1 +ATOM 41410 C CZ3 . TRP Y 7 5 ? 61.438 -26.036 -13.269 1.00 88.89 ? 6 TRP h CZ3 1 +ATOM 41411 C CH2 . TRP Y 7 5 ? 62.728 -25.667 -13.670 1.00 112.54 ? 6 TRP h CH2 1 +ATOM 41412 N N . LEU Y 7 6 ? 59.983 -26.872 -9.360 1.00 73.86 ? 7 LEU h N 1 +ATOM 41413 C CA . LEU Y 7 6 ? 59.832 -25.423 -9.373 1.00 74.26 ? 7 LEU h CA 1 +ATOM 41414 C C . LEU Y 7 6 ? 59.625 -24.882 -7.959 1.00 80.86 ? 7 LEU h C 1 +ATOM 41415 O O . LEU Y 7 6 ? 60.106 -23.791 -7.626 1.00 71.27 ? 7 LEU h O 1 +ATOM 41416 C CB . LEU Y 7 6 ? 58.672 -25.030 -10.288 1.00 66.59 ? 7 LEU h CB 1 +ATOM 41417 C CG . LEU Y 7 6 ? 58.414 -23.531 -10.459 1.00 71.55 ? 7 LEU h CG 1 +ATOM 41418 C CD1 . LEU Y 7 6 ? 59.577 -22.853 -11.192 1.00 67.16 ? 7 LEU h CD1 1 +ATOM 41419 C CD2 . LEU Y 7 6 ? 57.084 -23.283 -11.168 1.00 63.21 ? 7 LEU h CD2 1 +ATOM 41420 N N . GLY Y 7 7 ? 58.923 -25.636 -7.110 1.00 59.01 ? 8 GLY h N 1 +ATOM 41421 C CA . GLY Y 7 7 ? 58.719 -25.195 -5.742 1.00 67.03 ? 8 GLY h CA 1 +ATOM 41422 C C . GLY Y 7 7 ? 60.019 -25.075 -4.971 1.00 73.44 ? 8 GLY h C 1 +ATOM 41423 O O . GLY Y 7 7 ? 60.234 -24.096 -4.251 1.00 77.22 ? 8 GLY h O 1 +ATOM 41424 N N . ASP Y 7 8 ? 60.909 -26.061 -5.126 1.00 68.74 ? 9 ASP h N 1 +ATOM 41425 C CA . ASP Y 7 8 ? 62.216 -26.001 -4.478 1.00 72.71 ? 9 ASP h CA 1 +ATOM 41426 C C . ASP Y 7 8 ? 63.002 -24.772 -4.927 1.00 74.06 ? 9 ASP h C 1 +ATOM 41427 O O . ASP Y 7 8 ? 63.636 -24.095 -4.108 1.00 75.74 ? 9 ASP h O 1 +ATOM 41428 C CB . ASP Y 7 8 ? 63.007 -27.277 -4.772 1.00 61.33 ? 9 ASP h CB 1 +ATOM 41429 C CG . ASP Y 7 8 ? 62.401 -28.511 -4.126 1.00 62.02 ? 9 ASP h CG 1 +ATOM 41430 O OD1 . ASP Y 7 8 ? 61.568 -28.382 -3.205 1.00 74.85 ? 9 ASP h OD1 1 +ATOM 41431 O OD2 . ASP Y 7 8 ? 62.775 -29.627 -4.529 1.00 83.99 ? 9 ASP h OD2 1 +ATOM 41432 N N . ILE Y 7 9 ? 62.960 -24.464 -6.224 1.00 72.49 ? 10 ILE h N 1 +ATOM 41433 C CA . ILE Y 7 9 ? 63.659 -23.295 -6.747 1.00 63.27 ? 10 ILE h CA 1 +ATOM 41434 C C . ILE Y 7 9 ? 63.091 -22.011 -6.152 1.00 74.61 ? 10 ILE h C 1 +ATOM 41435 O O . ILE Y 7 9 ? 63.836 -21.095 -5.787 1.00 74.83 ? 10 ILE h O 1 +ATOM 41436 C CB . ILE Y 7 9 ? 63.582 -23.294 -8.284 1.00 65.13 ? 10 ILE h CB 1 +ATOM 41437 C CG1 . ILE Y 7 9 ? 64.319 -24.502 -8.837 1.00 78.20 ? 10 ILE h CG1 1 +ATOM 41438 C CG2 . ILE Y 7 9 ? 64.159 -22.026 -8.861 1.00 68.54 ? 10 ILE h CG2 1 +ATOM 41439 C CD1 . ILE Y 7 9 ? 64.208 -24.610 -10.322 1.00 101.11 ? 10 ILE h CD1 1 +ATOM 41440 N N . LEU Y 7 10 ? 61.768 -21.920 -6.041 1.00 74.36 ? 11 LEU h N 1 +ATOM 41441 C CA . LEU Y 7 10 ? 61.150 -20.700 -5.542 1.00 71.69 ? 11 LEU h CA 1 +ATOM 41442 C C . LEU Y 7 10 ? 61.117 -20.613 -4.019 1.00 65.71 ? 11 LEU h C 1 +ATOM 41443 O O . LEU Y 7 10 ? 60.731 -19.564 -3.496 1.00 76.39 ? 11 LEU h O 1 +ATOM 41444 C CB . LEU Y 7 10 ? 59.723 -20.581 -6.080 1.00 72.22 ? 11 LEU h CB 1 +ATOM 41445 C CG . LEU Y 7 10 ? 59.529 -20.527 -7.596 1.00 75.34 ? 11 LEU h CG 1 +ATOM 41446 C CD1 . LEU Y 7 10 ? 58.045 -20.627 -7.898 1.00 80.51 ? 11 LEU h CD1 1 +ATOM 41447 C CD2 . LEU Y 7 10 ? 60.132 -19.269 -8.233 1.00 63.22 ? 11 LEU h CD2 1 +ATOM 41448 N N . ARG Y 7 11 ? 61.526 -21.667 -3.308 1.00 80.70 ? 12 ARG h N 1 +ATOM 41449 C CA . ARG Y 7 11 ? 61.355 -21.725 -1.853 1.00 69.18 ? 12 ARG h CA 1 +ATOM 41450 C C . ARG Y 7 11 ? 61.998 -20.570 -1.077 1.00 83.58 ? 12 ARG h C 1 +ATOM 41451 O O . ARG Y 7 11 ? 61.374 -20.096 -0.109 1.00 73.37 ? 12 ARG h O 1 +ATOM 41452 C CB . ARG Y 7 11 ? 61.880 -23.082 -1.356 1.00 74.27 ? 12 ARG h CB 1 +ATOM 41453 C CG . ARG Y 7 11 ? 62.029 -23.227 0.157 1.00 84.91 ? 12 ARG h CG 1 +ATOM 41454 C CD . ARG Y 7 11 ? 60.761 -23.743 0.820 1.00 76.40 ? 12 ARG h CD 1 +ATOM 41455 N NE . ARG Y 7 11 ? 59.851 -22.661 1.170 1.00 81.31 ? 12 ARG h NE 1 +ATOM 41456 C CZ . ARG Y 7 11 ? 58.649 -22.836 1.704 1.00 85.36 ? 12 ARG h CZ 1 +ATOM 41457 N NH1 . ARG Y 7 11 ? 58.168 -24.046 1.944 1.00 87.98 ? 12 ARG h NH1 1 +ATOM 41458 N NH2 . ARG Y 7 11 ? 57.910 -21.771 2.005 1.00 77.66 ? 12 ARG h NH2 1 +ATOM 41459 N N . PRO Y 7 12 ? 63.206 -20.089 -1.406 1.00 69.18 ? 13 PRO h N 1 +ATOM 41460 C CA . PRO Y 7 12 ? 63.748 -18.942 -0.653 1.00 79.16 ? 13 PRO h CA 1 +ATOM 41461 C C . PRO Y 7 12 ? 62.837 -17.733 -0.641 1.00 74.80 ? 13 PRO h C 1 +ATOM 41462 O O . PRO Y 7 12 ? 62.760 -17.021 0.370 1.00 76.83 ? 13 PRO h O 1 +ATOM 41463 C CB . PRO Y 7 12 ? 65.061 -18.637 -1.385 1.00 67.83 ? 13 PRO h CB 1 +ATOM 41464 C CG . PRO Y 7 12 ? 65.454 -19.921 -1.973 1.00 81.30 ? 13 PRO h CG 1 +ATOM 41465 C CD . PRO Y 7 12 ? 64.198 -20.634 -2.346 1.00 74.45 ? 13 PRO h CD 1 +ATOM 41466 N N . LEU Y 7 13 ? 62.130 -17.491 -1.744 1.00 78.68 ? 14 LEU h N 1 +ATOM 41467 C CA . LEU Y 7 13 ? 61.335 -16.280 -1.883 1.00 71.35 ? 14 LEU h CA 1 +ATOM 41468 C C . LEU Y 7 13 ? 60.096 -16.287 -0.998 1.00 63.01 ? 14 LEU h C 1 +ATOM 41469 O O . LEU Y 7 13 ? 59.507 -15.224 -0.786 1.00 70.61 ? 14 LEU h O 1 +ATOM 41470 C CB . LEU Y 7 13 ? 60.942 -16.095 -3.345 1.00 59.53 ? 14 LEU h CB 1 +ATOM 41471 C CG . LEU Y 7 13 ? 62.090 -16.080 -4.357 1.00 72.26 ? 14 LEU h CG 1 +ATOM 41472 C CD1 . LEU Y 7 13 ? 61.560 -16.074 -5.796 1.00 67.55 ? 14 LEU h CD1 1 +ATOM 41473 C CD2 . LEU Y 7 13 ? 62.997 -14.880 -4.124 1.00 66.53 ? 14 LEU h CD2 1 +ATOM 41474 N N . ASN Y 7 14 ? 59.675 -17.447 -0.491 1.00 59.80 ? 15 ASN h N 1 +ATOM 41475 C CA . ASN Y 7 14 ? 58.555 -17.474 0.445 1.00 80.20 ? 15 ASN h CA 1 +ATOM 41476 C C . ASN Y 7 14 ? 58.980 -18.125 1.756 1.00 77.10 ? 15 ASN h C 1 +ATOM 41477 O O . ASN Y 7 14 ? 58.408 -19.139 2.173 1.00 88.55 ? 15 ASN h O 1 +ATOM 41478 C CB . ASN Y 7 14 ? 57.350 -18.217 -0.144 1.00 65.80 ? 15 ASN h CB 1 +ATOM 41479 C CG . ASN Y 7 14 ? 56.075 -18.017 0.679 1.00 69.56 ? 15 ASN h CG 1 +ATOM 41480 O OD1 . ASN Y 7 14 ? 55.829 -16.932 1.214 1.00 65.51 ? 15 ASN h OD1 1 +ATOM 41481 N ND2 . ASN Y 7 14 ? 55.266 -19.071 0.791 1.00 62.31 ? 15 ASN h ND2 1 +ATOM 41482 N N . SER Y 7 15 ? 59.987 -17.560 2.414 1.00 75.48 ? 16 SER h N 1 +ATOM 41483 C CA . SER Y 7 15 ? 60.523 -18.168 3.622 1.00 81.16 ? 16 SER h CA 1 +ATOM 41484 C C . SER Y 7 15 ? 60.753 -17.190 4.763 1.00 71.41 ? 16 SER h C 1 +ATOM 41485 O O . SER Y 7 15 ? 61.025 -17.639 5.881 1.00 83.01 ? 16 SER h O 1 +ATOM 41486 C CB . SER Y 7 15 ? 61.842 -18.890 3.315 1.00 75.55 ? 16 SER h CB 1 +ATOM 41487 O OG . SER Y 7 15 ? 62.777 -17.992 2.740 1.00 84.45 ? 16 SER h OG 1 +ATOM 41488 N N . GLU Y 7 16 ? 60.649 -15.885 4.532 1.00 69.77 ? 17 GLU h N 1 +ATOM 41489 C CA . GLU Y 7 16 ? 60.854 -14.906 5.591 1.00 72.33 ? 17 GLU h CA 1 +ATOM 41490 C C . GLU Y 7 16 ? 59.539 -14.343 6.111 1.00 73.43 ? 17 GLU h C 1 +ATOM 41491 O O . GLU Y 7 16 ? 59.469 -13.165 6.476 1.00 73.88 ? 17 GLU h O 1 +ATOM 41492 C CB . GLU Y 7 16 ? 61.773 -13.792 5.106 1.00 64.13 ? 17 GLU h CB 1 +ATOM 41493 C CG . GLU Y 7 16 ? 63.145 -14.314 4.752 1.00 78.74 ? 17 GLU h CG 1 +ATOM 41494 C CD . GLU Y 7 16 ? 64.115 -13.217 4.424 1.00 86.40 ? 17 GLU h CD 1 +ATOM 41495 O OE1 . GLU Y 7 16 ? 63.915 -12.539 3.398 1.00 89.45 ? 17 GLU h OE1 1 +ATOM 41496 O OE2 . GLU Y 7 16 ? 65.069 -13.020 5.209 1.00 126.57 ? 17 GLU h OE2 1 +ATOM 41497 N N . TYR Y 7 17 ? 58.500 -15.173 6.165 1.00 71.24 ? 18 TYR h N 1 +ATOM 41498 C CA . TYR Y 7 17 ? 57.220 -14.732 6.698 1.00 77.64 ? 18 TYR h CA 1 +ATOM 41499 C C . TYR Y 7 17 ? 57.385 -14.184 8.111 1.00 73.32 ? 18 TYR h C 1 +ATOM 41500 O O . TYR Y 7 17 ? 58.033 -14.803 8.961 1.00 78.29 ? 18 TYR h O 1 +ATOM 41501 C CB . TYR Y 7 17 ? 56.210 -15.884 6.696 1.00 68.69 ? 18 TYR h CB 1 +ATOM 41502 C CG . TYR Y 7 17 ? 54.880 -15.468 7.302 1.00 97.45 ? 18 TYR h CG 1 +ATOM 41503 C CD1 . TYR Y 7 17 ? 53.968 -14.704 6.571 1.00 86.10 ? 18 TYR h CD1 1 +ATOM 41504 C CD2 . TYR Y 7 17 ? 54.552 -15.802 8.615 1.00 82.59 ? 18 TYR h CD2 1 +ATOM 41505 C CE1 . TYR Y 7 17 ? 52.762 -14.304 7.122 1.00 77.66 ? 18 TYR h CE1 1 +ATOM 41506 C CE2 . TYR Y 7 17 ? 53.349 -15.406 9.177 1.00 79.42 ? 18 TYR h CE2 1 +ATOM 41507 C CZ . TYR Y 7 17 ? 52.457 -14.657 8.427 1.00 98.14 ? 18 TYR h CZ 1 +ATOM 41508 O OH . TYR Y 7 17 ? 51.255 -14.255 8.982 1.00 93.55 ? 18 TYR h OH 1 +ATOM 41509 N N . GLY Y 7 18 ? 56.801 -13.015 8.356 1.00 64.68 ? 19 GLY h N 1 +ATOM 41510 C CA . GLY Y 7 18 ? 56.783 -12.420 9.675 1.00 64.17 ? 19 GLY h CA 1 +ATOM 41511 C C . GLY Y 7 18 ? 58.030 -11.662 10.073 1.00 68.11 ? 19 GLY h C 1 +ATOM 41512 O O . GLY Y 7 18 ? 58.053 -11.080 11.163 1.00 71.53 ? 19 GLY h O 1 +ATOM 41513 N N . LYS Y 7 19 ? 59.062 -11.635 9.232 1.00 72.14 ? 20 LYS h N 1 +ATOM 41514 C CA . LYS Y 7 19 ? 60.321 -11.003 9.601 1.00 65.79 ? 20 LYS h CA 1 +ATOM 41515 C C . LYS Y 7 19 ? 60.230 -9.489 9.436 1.00 78.93 ? 20 LYS h C 1 +ATOM 41516 O O . LYS Y 7 19 ? 59.850 -8.994 8.372 1.00 63.02 ? 20 LYS h O 1 +ATOM 41517 C CB . LYS Y 7 19 ? 61.452 -11.574 8.749 1.00 72.50 ? 20 LYS h CB 1 +ATOM 41518 C CG . LYS Y 7 19 ? 62.780 -10.872 8.923 1.00 95.35 ? 20 LYS h CG 1 +ATOM 41519 C CD . LYS Y 7 19 ? 63.930 -11.714 8.382 1.00 100.43 ? 20 LYS h CD 1 +ATOM 41520 C CE . LYS Y 7 19 ? 65.267 -11.056 8.711 1.00 141.94 ? 20 LYS h CE 1 +ATOM 41521 N NZ . LYS Y 7 19 ? 65.340 -10.636 10.157 1.00 147.76 ? 20 LYS h NZ 1 +ATOM 41522 N N . VAL Y 7 20 ? 60.581 -8.744 10.486 1.00 73.34 ? 21 VAL h N 1 +ATOM 41523 C CA . VAL Y 7 20 ? 60.488 -7.291 10.432 1.00 75.87 ? 21 VAL h CA 1 +ATOM 41524 C C . VAL Y 7 20 ? 61.824 -6.667 10.799 1.00 67.94 ? 21 VAL h C 1 +ATOM 41525 O O . VAL Y 7 20 ? 62.674 -7.291 11.435 1.00 89.83 ? 21 VAL h O 1 +ATOM 41526 C CB . VAL Y 7 20 ? 59.384 -6.735 11.355 1.00 68.91 ? 21 VAL h CB 1 +ATOM 41527 C CG1 . VAL Y 7 20 ? 58.017 -7.185 10.879 1.00 55.88 ? 21 VAL h CG1 1 +ATOM 41528 C CG2 . VAL Y 7 20 ? 59.641 -7.165 12.802 1.00 70.81 ? 21 VAL h CG2 1 +ATOM 41529 N N . ALA Y 7 21 ? 62.002 -5.413 10.366 1.00 64.76 ? 22 ALA h N 1 +ATOM 41530 C CA . ALA Y 7 21 ? 63.062 -4.554 10.857 1.00 72.19 ? 22 ALA h CA 1 +ATOM 41531 C C . ALA Y 7 21 ? 62.627 -3.915 12.175 1.00 83.78 ? 22 ALA h C 1 +ATOM 41532 O O . ALA Y 7 21 ? 61.433 -3.728 12.417 1.00 77.23 ? 22 ALA h O 1 +ATOM 41533 C CB . ALA Y 7 21 ? 63.390 -3.472 9.843 1.00 52.11 ? 22 ALA h CB 1 +ATOM 41534 N N . PRO Y 7 22 ? 63.575 -3.581 13.050 1.00 94.14 ? 23 PRO h N 1 +ATOM 41535 C CA . PRO Y 7 22 ? 63.200 -3.092 14.382 1.00 72.38 ? 23 PRO h CA 1 +ATOM 41536 C C . PRO Y 7 22 ? 62.653 -1.673 14.354 1.00 58.93 ? 23 PRO h C 1 +ATOM 41537 O O . PRO Y 7 22 ? 63.161 -0.795 13.650 1.00 72.84 ? 23 PRO h O 1 +ATOM 41538 C CB . PRO Y 7 22 ? 64.514 -3.167 15.167 1.00 80.46 ? 23 PRO h CB 1 +ATOM 41539 C CG . PRO Y 7 22 ? 65.379 -4.103 14.384 1.00 91.10 ? 23 PRO h CG 1 +ATOM 41540 C CD . PRO Y 7 22 ? 65.018 -3.849 12.961 1.00 87.73 ? 23 PRO h CD 1 +ATOM 41541 N N . GLY Y 7 23 ? 61.595 -1.468 15.130 1.00 69.54 ? 24 GLY h N 1 +ATOM 41542 C CA . GLY Y 7 23 ? 61.101 -0.127 15.399 1.00 55.22 ? 24 GLY h CA 1 +ATOM 41543 C C . GLY Y 7 23 ? 60.503 0.542 14.180 1.00 68.44 ? 24 GLY h C 1 +ATOM 41544 O O . GLY Y 7 23 ? 59.584 0.028 13.535 1.00 73.07 ? 24 GLY h O 1 +ATOM 41545 N N . TRP Y 7 24 ? 61.024 1.726 13.877 1.00 75.69 ? 25 TRP h N 1 +ATOM 41546 C CA . TRP Y 7 24 ? 60.514 2.575 12.818 1.00 67.13 ? 25 TRP h CA 1 +ATOM 41547 C C . TRP Y 7 24 ? 61.183 2.324 11.488 1.00 62.33 ? 25 TRP h C 1 +ATOM 41548 O O . TRP Y 7 24 ? 60.674 2.803 10.476 1.00 69.89 ? 25 TRP h O 1 +ATOM 41549 C CB . TRP Y 7 24 ? 60.700 4.048 13.174 1.00 73.08 ? 25 TRP h CB 1 +ATOM 41550 C CG . TRP Y 7 24 ? 59.822 4.514 14.259 1.00 84.83 ? 25 TRP h CG 1 +ATOM 41551 C CD1 . TRP Y 7 24 ? 60.170 4.732 15.559 1.00 90.28 ? 25 TRP h CD1 1 +ATOM 41552 C CD2 . TRP Y 7 24 ? 58.435 4.834 14.154 1.00 90.80 ? 25 TRP h CD2 1 +ATOM 41553 N NE1 . TRP Y 7 24 ? 59.082 5.170 16.273 1.00 77.84 ? 25 TRP h NE1 1 +ATOM 41554 C CE2 . TRP Y 7 24 ? 58.004 5.247 15.432 1.00 88.06 ? 25 TRP h CE2 1 +ATOM 41555 C CE3 . TRP Y 7 24 ? 57.513 4.814 13.104 1.00 69.77 ? 25 TRP h CE3 1 +ATOM 41556 C CZ2 . TRP Y 7 24 ? 56.691 5.633 15.689 1.00 81.43 ? 25 TRP h CZ2 1 +ATOM 41557 C CZ3 . TRP Y 7 24 ? 56.211 5.197 13.360 1.00 70.85 ? 25 TRP h CZ3 1 +ATOM 41558 C CH2 . TRP Y 7 24 ? 55.811 5.604 14.641 1.00 79.99 ? 25 TRP h CH2 1 +ATOM 41559 N N . GLY Y 7 25 ? 62.305 1.606 11.471 1.00 76.03 ? 26 GLY h N 1 +ATOM 41560 C CA . GLY Y 7 25 ? 63.014 1.316 10.238 1.00 60.08 ? 26 GLY h CA 1 +ATOM 41561 C C . GLY Y 7 25 ? 63.073 2.494 9.292 1.00 66.03 ? 26 GLY h C 1 +ATOM 41562 O O . GLY Y 7 25 ? 63.378 3.617 9.695 1.00 72.23 ? 26 GLY h O 1 +ATOM 41563 N N . THR Y 7 26 ? 62.725 2.263 8.040 1.00 67.05 ? 27 THR h N 1 +ATOM 41564 C CA . THR Y 7 26 ? 62.797 3.292 7.019 1.00 58.53 ? 27 THR h CA 1 +ATOM 41565 C C . THR Y 7 26 ? 61.555 4.199 6.975 1.00 71.43 ? 27 THR h C 1 +ATOM 41566 O O . THR Y 7 26 ? 61.399 4.952 6.000 1.00 63.10 ? 27 THR h O 1 +ATOM 41567 C CB . THR Y 7 26 ? 63.015 2.623 5.662 1.00 70.27 ? 27 THR h CB 1 +ATOM 41568 O OG1 . THR Y 7 26 ? 62.180 1.462 5.589 1.00 71.04 ? 27 THR h OG1 1 +ATOM 41569 C CG2 . THR Y 7 26 ? 64.463 2.194 5.504 1.00 59.47 ? 27 THR h CG2 1 +ATOM 41570 N N . THR Y 7 27 ? 60.675 4.154 7.982 1.00 56.23 ? 28 THR h N 1 +ATOM 41571 C CA . THR Y 7 27 ? 59.487 5.012 7.957 1.00 61.41 ? 28 THR h CA 1 +ATOM 41572 C C . THR Y 7 27 ? 59.795 6.476 7.659 1.00 64.57 ? 28 THR h C 1 +ATOM 41573 O O . THR Y 7 27 ? 59.163 7.034 6.747 1.00 87.57 ? 28 THR h O 1 +ATOM 41574 C CB . THR Y 7 27 ? 58.688 4.900 9.262 1.00 58.11 ? 28 THR h CB 1 +ATOM 41575 O OG1 . THR Y 7 27 ? 58.316 3.541 9.487 1.00 71.35 ? 28 THR h OG1 1 +ATOM 41576 C CG2 . THR Y 7 27 ? 57.429 5.732 9.167 1.00 65.82 ? 28 THR h CG2 1 +ATOM 41577 N N . PRO Y 7 28 ? 60.738 7.146 8.333 1.00 73.85 ? 29 PRO h N 1 +ATOM 41578 C CA . PRO Y 7 28 ? 60.977 8.563 7.987 1.00 78.90 ? 29 PRO h CA 1 +ATOM 41579 C C . PRO Y 7 28 ? 61.305 8.772 6.520 1.00 66.96 ? 29 PRO h C 1 +ATOM 41580 O O . PRO Y 7 28 ? 60.826 9.730 5.902 1.00 68.26 ? 29 PRO h O 1 +ATOM 41581 C CB . PRO Y 7 28 ? 62.153 8.952 8.893 1.00 76.05 ? 29 PRO h CB 1 +ATOM 41582 C CG . PRO Y 7 28 ? 62.106 7.962 10.015 1.00 80.33 ? 29 PRO h CG 1 +ATOM 41583 C CD . PRO Y 7 28 ? 61.649 6.686 9.396 1.00 65.52 ? 29 PRO h CD 1 +ATOM 41584 N N . LEU Y 7 29 ? 62.111 7.878 5.943 1.00 70.11 ? 30 LEU h N 1 +ATOM 41585 C CA . LEU Y 7 29 ? 62.431 7.974 4.524 1.00 75.56 ? 30 LEU h CA 1 +ATOM 41586 C C . LEU Y 7 29 ? 61.181 7.790 3.669 1.00 72.70 ? 30 LEU h C 1 +ATOM 41587 O O . LEU Y 7 29 ? 60.970 8.522 2.698 1.00 68.79 ? 30 LEU h O 1 +ATOM 41588 C CB . LEU Y 7 29 ? 63.491 6.933 4.174 1.00 67.67 ? 30 LEU h CB 1 +ATOM 41589 C CG . LEU Y 7 29 ? 63.956 6.897 2.726 1.00 86.08 ? 30 LEU h CG 1 +ATOM 41590 C CD1 . LEU Y 7 29 ? 64.407 8.276 2.273 1.00 74.40 ? 30 LEU h CD1 1 +ATOM 41591 C CD2 . LEU Y 7 29 ? 65.080 5.877 2.590 1.00 82.54 ? 30 LEU h CD2 1 +ATOM 41592 N N . MET Y 7 30 ? 60.338 6.819 4.029 1.00 71.04 ? 31 MET h N 1 +ATOM 41593 C CA . MET Y 7 30 ? 59.070 6.624 3.336 1.00 68.00 ? 31 MET h CA 1 +ATOM 41594 C C . MET Y 7 30 ? 58.235 7.898 3.347 1.00 57.21 ? 31 MET h C 1 +ATOM 41595 O O . MET Y 7 30 ? 57.655 8.285 2.321 1.00 64.83 ? 31 MET h O 1 +ATOM 41596 C CB . MET Y 7 30 ? 58.295 5.473 3.984 1.00 60.98 ? 31 MET h CB 1 +ATOM 41597 C CG . MET Y 7 30 ? 56.964 5.156 3.309 1.00 59.97 ? 31 MET h CG 1 +ATOM 41598 S SD . MET Y 7 30 ? 56.006 3.965 4.263 1.00 63.00 ? 31 MET h SD 1 +ATOM 41599 C CE . MET Y 7 30 ? 55.155 5.052 5.403 1.00 58.46 ? 31 MET h CE 1 +ATOM 41600 N N . ALA Y 7 31 ? 58.183 8.570 4.499 1.00 64.03 ? 32 ALA h N 1 +ATOM 41601 C CA . ALA Y 7 31 ? 57.353 9.762 4.654 1.00 56.93 ? 32 ALA h CA 1 +ATOM 41602 C C . ALA Y 7 31 ? 57.783 10.866 3.708 1.00 61.83 ? 32 ALA h C 1 +ATOM 41603 O O . ALA Y 7 31 ? 56.944 11.621 3.198 1.00 64.79 ? 32 ALA h O 1 +ATOM 41604 C CB . ALA Y 7 31 ? 57.415 10.255 6.099 1.00 63.16 ? 32 ALA h CB 1 +ATOM 41605 N N . VAL Y 7 32 ? 59.088 10.984 3.465 1.00 67.30 ? 33 VAL h N 1 +ATOM 41606 C CA . VAL Y 7 32 ? 59.563 12.020 2.557 1.00 72.53 ? 33 VAL h CA 1 +ATOM 41607 C C . VAL Y 7 32 ? 59.081 11.741 1.141 1.00 68.47 ? 33 VAL h C 1 +ATOM 41608 O O . VAL Y 7 32 ? 58.625 12.650 0.432 1.00 69.39 ? 33 VAL h O 1 +ATOM 41609 C CB . VAL Y 7 32 ? 61.098 12.131 2.634 1.00 88.08 ? 33 VAL h CB 1 +ATOM 41610 C CG1 . VAL Y 7 32 ? 61.665 12.853 1.401 1.00 73.86 ? 33 VAL h CG1 1 +ATOM 41611 C CG2 . VAL Y 7 32 ? 61.509 12.838 3.918 1.00 79.60 ? 33 VAL h CG2 1 +ATOM 41612 N N . PHE Y 7 33 ? 59.153 10.477 0.714 1.00 76.13 ? 34 PHE h N 1 +ATOM 41613 C CA . PHE Y 7 33 ? 58.691 10.123 -0.625 1.00 70.34 ? 34 PHE h CA 1 +ATOM 41614 C C . PHE Y 7 33 ? 57.193 10.358 -0.778 1.00 66.35 ? 34 PHE h C 1 +ATOM 41615 O O . PHE Y 7 33 ? 56.745 10.865 -1.814 1.00 68.83 ? 34 PHE h O 1 +ATOM 41616 C CB . PHE Y 7 33 ? 59.036 8.674 -0.934 1.00 71.69 ? 34 PHE h CB 1 +ATOM 41617 C CG . PHE Y 7 33 ? 60.484 8.447 -1.230 1.00 76.68 ? 34 PHE h CG 1 +ATOM 41618 C CD1 . PHE Y 7 33 ? 61.051 8.948 -2.388 1.00 78.37 ? 34 PHE h CD1 1 +ATOM 41619 C CD2 . PHE Y 7 33 ? 61.272 7.717 -0.362 1.00 80.71 ? 34 PHE h CD2 1 +ATOM 41620 C CE1 . PHE Y 7 33 ? 62.377 8.729 -2.666 1.00 79.35 ? 34 PHE h CE1 1 +ATOM 41621 C CE2 . PHE Y 7 33 ? 62.599 7.492 -0.637 1.00 75.83 ? 34 PHE h CE2 1 +ATOM 41622 C CZ . PHE Y 7 33 ? 63.153 7.998 -1.786 1.00 80.00 ? 34 PHE h CZ 1 +ATOM 41623 N N . MET Y 7 34 ? 56.400 9.992 0.241 1.00 69.01 ? 35 MET h N 1 +ATOM 41624 C CA . MET Y 7 34 ? 54.971 10.298 0.199 1.00 60.83 ? 35 MET h CA 1 +ATOM 41625 C C . MET Y 7 34 ? 54.739 11.793 0.061 1.00 61.85 ? 35 MET h C 1 +ATOM 41626 O O . MET Y 7 34 ? 53.850 12.224 -0.683 1.00 66.04 ? 35 MET h O 1 +ATOM 41627 C CB . MET Y 7 34 ? 54.264 9.768 1.449 1.00 61.40 ? 35 MET h CB 1 +ATOM 41628 C CG . MET Y 7 34 ? 54.225 8.246 1.561 1.00 65.12 ? 35 MET h CG 1 +ATOM 41629 S SD . MET Y 7 34 ? 53.339 7.717 3.044 1.00 72.93 ? 35 MET h SD 1 +ATOM 41630 C CE . MET Y 7 34 ? 51.753 8.509 2.783 1.00 74.45 ? 35 MET h CE 1 +ATOM 41631 N N . GLY Y 7 35 ? 55.532 12.603 0.776 1.00 77.16 ? 36 GLY h N 1 +ATOM 41632 C CA . GLY Y 7 35 ? 55.407 14.048 0.651 1.00 57.89 ? 36 GLY h CA 1 +ATOM 41633 C C . GLY Y 7 35 ? 55.751 14.547 -0.738 1.00 61.27 ? 36 GLY h C 1 +ATOM 41634 O O . GLY Y 7 35 ? 55.041 15.389 -1.298 1.00 71.24 ? 36 GLY h O 1 +ATOM 41635 N N . LEU Y 7 36 ? 56.848 14.047 -1.312 1.00 55.38 ? 37 LEU h N 1 +ATOM 41636 C CA . LEU Y 7 36 ? 57.178 14.429 -2.682 1.00 58.98 ? 37 LEU h CA 1 +ATOM 41637 C C . LEU Y 7 36 ? 56.082 14.008 -3.652 1.00 62.99 ? 37 LEU h C 1 +ATOM 41638 O O . LEU Y 7 36 ? 55.773 14.733 -4.604 1.00 65.07 ? 37 LEU h O 1 +ATOM 41639 C CB . LEU Y 7 36 ? 58.510 13.816 -3.097 1.00 65.41 ? 37 LEU h CB 1 +ATOM 41640 C CG . LEU Y 7 36 ? 59.657 14.298 -2.220 1.00 86.63 ? 37 LEU h CG 1 +ATOM 41641 C CD1 . LEU Y 7 36 ? 60.906 13.470 -2.474 1.00 80.06 ? 37 LEU h CD1 1 +ATOM 41642 C CD2 . LEU Y 7 36 ? 59.904 15.774 -2.497 1.00 76.10 ? 37 LEU h CD2 1 +ATOM 41643 N N . PHE Y 7 37 ? 55.482 12.836 -3.423 1.00 58.10 ? 38 PHE h N 1 +ATOM 41644 C CA . PHE Y 7 37 ? 54.444 12.330 -4.316 1.00 63.62 ? 38 PHE h CA 1 +ATOM 41645 C C . PHE Y 7 37 ? 53.201 13.209 -4.267 1.00 59.38 ? 38 PHE h C 1 +ATOM 41646 O O . PHE Y 7 37 ? 52.583 13.491 -5.304 1.00 63.59 ? 38 PHE h O 1 +ATOM 41647 C CB . PHE Y 7 37 ? 54.108 10.878 -3.949 1.00 68.00 ? 38 PHE h CB 1 +ATOM 41648 C CG . PHE Y 7 37 ? 53.323 10.151 -5.010 1.00 69.09 ? 38 PHE h CG 1 +ATOM 41649 C CD1 . PHE Y 7 37 ? 53.663 10.281 -6.351 1.00 64.55 ? 38 PHE h CD1 1 +ATOM 41650 C CD2 . PHE Y 7 37 ? 52.250 9.340 -4.668 1.00 74.95 ? 38 PHE h CD2 1 +ATOM 41651 C CE1 . PHE Y 7 37 ? 52.947 9.621 -7.333 1.00 67.73 ? 38 PHE h CE1 1 +ATOM 41652 C CE2 . PHE Y 7 37 ? 51.528 8.673 -5.643 1.00 71.23 ? 38 PHE h CE2 1 +ATOM 41653 C CZ . PHE Y 7 37 ? 51.880 8.814 -6.977 1.00 63.39 ? 38 PHE h CZ 1 +ATOM 41654 N N . LEU Y 7 38 ? 52.835 13.670 -3.074 1.00 60.03 ? 39 LEU h N 1 +ATOM 41655 C CA . LEU Y 7 38 ? 51.683 14.550 -2.945 1.00 62.64 ? 39 LEU h CA 1 +ATOM 41656 C C . LEU Y 7 38 ? 51.897 15.849 -3.706 1.00 63.97 ? 39 LEU h C 1 +ATOM 41657 O O . LEU Y 7 38 ? 50.958 16.393 -4.300 1.00 69.43 ? 39 LEU h O 1 +ATOM 41658 C CB . LEU Y 7 38 ? 51.407 14.819 -1.465 1.00 71.05 ? 39 LEU h CB 1 +ATOM 41659 C CG . LEU Y 7 38 ? 50.159 15.599 -1.036 1.00 76.92 ? 39 LEU h CG 1 +ATOM 41660 C CD1 . LEU Y 7 38 ? 49.808 15.222 0.393 1.00 90.39 ? 39 LEU h CD1 1 +ATOM 41661 C CD2 . LEU Y 7 38 ? 50.348 17.096 -1.126 1.00 76.45 ? 39 LEU h CD2 1 +ATOM 41662 N N . VAL Y 7 39 ? 53.118 16.385 -3.681 1.00 71.58 ? 40 VAL h N 1 +ATOM 41663 C CA . VAL Y 7 39 ? 53.359 17.637 -4.397 1.00 68.77 ? 40 VAL h CA 1 +ATOM 41664 C C . VAL Y 7 39 ? 53.323 17.392 -5.897 1.00 55.43 ? 40 VAL h C 1 +ATOM 41665 O O . VAL Y 7 39 ? 52.789 18.204 -6.666 1.00 60.70 ? 40 VAL h O 1 +ATOM 41666 C CB . VAL Y 7 39 ? 54.692 18.269 -3.947 1.00 65.30 ? 40 VAL h CB 1 +ATOM 41667 C CG1 . VAL Y 7 39 ? 55.082 19.427 -4.863 1.00 61.32 ? 40 VAL h CG1 1 +ATOM 41668 C CG2 . VAL Y 7 39 ? 54.580 18.753 -2.523 1.00 71.85 ? 40 VAL h CG2 1 +ATOM 41669 N N . PHE Y 7 40 ? 53.900 16.270 -6.334 1.00 59.00 ? 41 PHE h N 1 +ATOM 41670 C CA . PHE Y 7 40 ? 53.798 15.842 -7.726 1.00 59.61 ? 41 PHE h CA 1 +ATOM 41671 C C . PHE Y 7 40 ? 52.342 15.769 -8.179 1.00 54.25 ? 41 PHE h C 1 +ATOM 41672 O O . PHE Y 7 40 ? 51.973 16.358 -9.198 1.00 59.46 ? 41 PHE h O 1 +ATOM 41673 C CB . PHE Y 7 40 ? 54.489 14.486 -7.890 1.00 54.16 ? 41 PHE h CB 1 +ATOM 41674 C CG . PHE Y 7 40 ? 54.361 13.901 -9.261 1.00 61.23 ? 41 PHE h CG 1 +ATOM 41675 C CD1 . PHE Y 7 40 ? 54.970 14.506 -10.347 1.00 68.62 ? 41 PHE h CD1 1 +ATOM 41676 C CD2 . PHE Y 7 40 ? 53.644 12.735 -9.466 1.00 61.21 ? 41 PHE h CD2 1 +ATOM 41677 C CE1 . PHE Y 7 40 ? 54.863 13.966 -11.617 1.00 73.49 ? 41 PHE h CE1 1 +ATOM 41678 C CE2 . PHE Y 7 40 ? 53.525 12.190 -10.734 1.00 69.32 ? 41 PHE h CE2 1 +ATOM 41679 C CZ . PHE Y 7 40 ? 54.137 12.801 -11.812 1.00 66.77 ? 41 PHE h CZ 1 +ATOM 41680 N N . LEU Y 7 41 ? 51.494 15.051 -7.429 1.00 59.37 ? 42 LEU h N 1 +ATOM 41681 C CA . LEU Y 7 41 ? 50.094 14.935 -7.829 1.00 57.69 ? 42 LEU h CA 1 +ATOM 41682 C C . LEU Y 7 41 ? 49.421 16.300 -7.891 1.00 61.07 ? 42 LEU h C 1 +ATOM 41683 O O . LEU Y 7 41 ? 48.644 16.579 -8.816 1.00 57.00 ? 42 LEU h O 1 +ATOM 41684 C CB . LEU Y 7 41 ? 49.338 14.015 -6.874 1.00 68.31 ? 42 LEU h CB 1 +ATOM 41685 C CG . LEU Y 7 41 ? 49.661 12.519 -6.858 1.00 75.16 ? 42 LEU h CG 1 +ATOM 41686 C CD1 . LEU Y 7 41 ? 48.769 11.839 -5.833 1.00 65.88 ? 42 LEU h CD1 1 +ATOM 41687 C CD2 . LEU Y 7 41 ? 49.481 11.900 -8.223 1.00 60.12 ? 42 LEU h CD2 1 +ATOM 41688 N N . LEU Y 7 42 ? 49.717 17.171 -6.919 1.00 57.69 ? 43 LEU h N 1 +ATOM 41689 C CA . LEU Y 7 42 ? 49.188 18.533 -6.936 1.00 53.58 ? 43 LEU h CA 1 +ATOM 41690 C C . LEU Y 7 42 ? 49.600 19.284 -8.195 1.00 54.89 ? 43 LEU h C 1 +ATOM 41691 O O . LEU Y 7 42 ? 48.801 20.032 -8.772 1.00 59.86 ? 43 LEU h O 1 +ATOM 41692 C CB . LEU Y 7 42 ? 49.668 19.277 -5.692 1.00 62.77 ? 43 LEU h CB 1 +ATOM 41693 C CG . LEU Y 7 42 ? 48.622 20.032 -4.900 1.00 69.02 ? 43 LEU h CG 1 +ATOM 41694 C CD1 . LEU Y 7 42 ? 47.524 19.099 -4.470 1.00 70.39 ? 43 LEU h CD1 1 +ATOM 41695 C CD2 . LEU Y 7 42 ? 49.298 20.630 -3.694 1.00 87.75 ? 43 LEU h CD2 1 +ATOM 41696 N N . ILE Y 7 43 ? 50.847 19.101 -8.635 1.00 60.46 ? 44 ILE h N 1 +ATOM 41697 C CA . ILE Y 7 43 ? 51.321 19.784 -9.837 1.00 58.28 ? 44 ILE h CA 1 +ATOM 41698 C C . ILE Y 7 43 ? 50.551 19.304 -11.066 1.00 64.66 ? 44 ILE h C 1 +ATOM 41699 O O . ILE Y 7 43 ? 49.991 20.114 -11.815 1.00 58.37 ? 44 ILE h O 1 +ATOM 41700 C CB . ILE Y 7 43 ? 52.846 19.595 -10.002 1.00 74.41 ? 44 ILE h CB 1 +ATOM 41701 C CG1 . ILE Y 7 43 ? 53.599 20.420 -8.950 1.00 74.28 ? 44 ILE h CG1 1 +ATOM 41702 C CG2 . ILE Y 7 43 ? 53.305 20.010 -11.407 1.00 63.21 ? 44 ILE h CG2 1 +ATOM 41703 C CD1 . ILE Y 7 43 ? 55.073 20.059 -8.807 1.00 71.61 ? 44 ILE h CD1 1 +ATOM 41704 N N . ILE Y 7 44 ? 50.489 17.980 -11.286 1.00 60.49 ? 45 ILE h N 1 +ATOM 41705 C CA . ILE Y 7 44 ? 49.814 17.498 -12.491 1.00 61.50 ? 45 ILE h CA 1 +ATOM 41706 C C . ILE Y 7 44 ? 48.312 17.781 -12.420 1.00 52.41 ? 45 ILE h C 1 +ATOM 41707 O O . ILE Y 7 44 ? 47.698 18.139 -13.430 1.00 60.94 ? 45 ILE h O 1 +ATOM 41708 C CB . ILE Y 7 44 ? 50.117 16.009 -12.769 1.00 62.96 ? 45 ILE h CB 1 +ATOM 41709 C CG1 . ILE Y 7 44 ? 49.568 15.079 -11.679 1.00 66.26 ? 45 ILE h CG1 1 +ATOM 41710 C CG2 . ILE Y 7 44 ? 51.612 15.785 -12.913 1.00 61.47 ? 45 ILE h CG2 1 +ATOM 41711 C CD1 . ILE Y 7 44 ? 49.704 13.598 -12.045 1.00 66.78 ? 45 ILE h CD1 1 +ATOM 41712 N N . LEU Y 7 45 ? 47.703 17.686 -11.234 1.00 57.18 ? 46 LEU h N 1 +ATOM 41713 C CA . LEU Y 7 45 ? 46.297 18.077 -11.116 1.00 49.72 ? 46 LEU h CA 1 +ATOM 41714 C C . LEU Y 7 45 ? 46.087 19.540 -11.508 1.00 63.26 ? 46 LEU h C 1 +ATOM 41715 O O . LEU Y 7 45 ? 45.163 19.870 -12.267 1.00 59.68 ? 46 LEU h O 1 +ATOM 41716 C CB . LEU Y 7 45 ? 45.777 17.820 -9.703 1.00 53.03 ? 46 LEU h CB 1 +ATOM 41717 C CG . LEU Y 7 45 ? 44.393 18.441 -9.436 1.00 61.03 ? 46 LEU h CG 1 +ATOM 41718 C CD1 . LEU Y 7 45 ? 43.307 17.793 -10.276 1.00 56.58 ? 46 LEU h CD1 1 +ATOM 41719 C CD2 . LEU Y 7 45 ? 44.029 18.397 -7.957 1.00 59.90 ? 46 LEU h CD2 1 +ATOM 41720 N N . GLU Y 7 46 ? 46.951 20.438 -11.030 1.00 61.80 ? 47 GLU h N 1 +ATOM 41721 C CA . GLU Y 7 46 ? 46.686 21.855 -11.270 1.00 55.53 ? 47 GLU h CA 1 +ATOM 41722 C C . GLU Y 7 46 ? 47.071 22.290 -12.674 1.00 54.95 ? 47 GLU h C 1 +ATOM 41723 O O . GLU Y 7 46 ? 46.473 23.240 -13.208 1.00 57.09 ? 47 GLU h O 1 +ATOM 41724 C CB . GLU Y 7 46 ? 47.392 22.703 -10.213 1.00 64.47 ? 47 GLU h CB 1 +ATOM 41725 C CG . GLU Y 7 46 ? 46.823 22.427 -8.835 1.00 60.13 ? 47 GLU h CG 1 +ATOM 41726 C CD . GLU Y 7 46 ? 47.293 23.401 -7.769 1.00 74.42 ? 47 GLU h CD 1 +ATOM 41727 O OE1 . GLU Y 7 46 ? 47.904 24.438 -8.104 1.00 66.96 ? 47 GLU h OE1 1 +ATOM 41728 O OE2 . GLU Y 7 46 ? 47.026 23.126 -6.587 1.00 60.73 ? 47 GLU h OE2 1 +ATOM 41729 N N . ILE Y 7 47 ? 48.044 21.617 -13.292 1.00 51.64 ? 48 ILE h N 1 +ATOM 41730 C CA . ILE Y 7 47 ? 48.287 21.831 -14.719 1.00 56.34 ? 48 ILE h CA 1 +ATOM 41731 C C . ILE Y 7 47 ? 47.046 21.469 -15.526 1.00 56.32 ? 48 ILE h C 1 +ATOM 41732 O O . ILE Y 7 47 ? 46.572 22.255 -16.352 1.00 60.70 ? 48 ILE h O 1 +ATOM 41733 C CB . ILE Y 7 47 ? 49.512 21.029 -15.190 1.00 55.85 ? 48 ILE h CB 1 +ATOM 41734 C CG1 . ILE Y 7 47 ? 50.808 21.640 -14.654 1.00 61.02 ? 48 ILE h CG1 1 +ATOM 41735 C CG2 . ILE Y 7 47 ? 49.539 20.981 -16.678 1.00 53.73 ? 48 ILE h CG2 1 +ATOM 41736 C CD1 . ILE Y 7 47 ? 52.019 20.727 -14.823 1.00 59.64 ? 48 ILE h CD1 1 +ATOM 41737 N N . TYR Y 7 48 ? 46.493 20.276 -15.287 1.00 60.75 ? 49 TYR h N 1 +ATOM 41738 C CA . TYR Y 7 48 ? 45.307 19.825 -16.018 1.00 59.58 ? 49 TYR h CA 1 +ATOM 41739 C C . TYR Y 7 48 ? 44.116 20.744 -15.749 1.00 59.08 ? 49 TYR h C 1 +ATOM 41740 O O . TYR Y 7 48 ? 43.295 20.999 -16.644 1.00 54.07 ? 49 TYR h O 1 +ATOM 41741 C CB . TYR Y 7 48 ? 44.993 18.379 -15.612 1.00 60.37 ? 49 TYR h CB 1 +ATOM 41742 C CG . TYR Y 7 48 ? 44.316 17.506 -16.655 1.00 55.16 ? 49 TYR h CG 1 +ATOM 41743 C CD1 . TYR Y 7 48 ? 43.421 18.031 -17.575 1.00 49.35 ? 49 TYR h CD1 1 +ATOM 41744 C CD2 . TYR Y 7 48 ? 44.553 16.131 -16.682 1.00 67.06 ? 49 TYR h CD2 1 +ATOM 41745 C CE1 . TYR Y 7 48 ? 42.808 17.221 -18.521 1.00 52.79 ? 49 TYR h CE1 1 +ATOM 41746 C CE2 . TYR Y 7 48 ? 43.945 15.308 -17.615 1.00 56.08 ? 49 TYR h CE2 1 +ATOM 41747 C CZ . TYR Y 7 48 ? 43.067 15.852 -18.530 1.00 65.28 ? 49 TYR h CZ 1 +ATOM 41748 O OH . TYR Y 7 48 ? 42.473 15.024 -19.463 1.00 58.95 ? 49 TYR h OH 1 +ATOM 41749 N N . ASN Y 7 49 ? 44.027 21.275 -14.523 1.00 51.70 ? 50 ASN h N 1 +ATOM 41750 C CA . ASN Y 7 49 ? 42.942 22.148 -14.090 1.00 59.04 ? 50 ASN h CA 1 +ATOM 41751 C C . ASN Y 7 49 ? 43.110 23.595 -14.553 1.00 59.36 ? 50 ASN h C 1 +ATOM 41752 O O . ASN Y 7 49 ? 42.186 24.404 -14.375 1.00 55.07 ? 50 ASN h O 1 +ATOM 41753 C CB . ASN Y 7 49 ? 42.829 22.075 -12.553 1.00 59.31 ? 50 ASN h CB 1 +ATOM 41754 C CG . ASN Y 7 49 ? 41.634 22.859 -12.002 1.00 64.69 ? 50 ASN h CG 1 +ATOM 41755 O OD1 . ASN Y 7 49 ? 41.798 23.950 -11.458 1.00 61.23 ? 50 ASN h OD1 1 +ATOM 41756 N ND2 . ASN Y 7 49 ? 40.432 22.303 -12.142 1.00 50.63 ? 50 ASN h ND2 1 +ATOM 41757 N N . SER Y 7 50 ? 44.255 23.939 -15.151 1.00 59.59 ? 51 SER h N 1 +ATOM 41758 C CA . SER Y 7 50 ? 44.565 25.320 -15.547 1.00 57.78 ? 51 SER h CA 1 +ATOM 41759 C C . SER Y 7 50 ? 44.602 26.269 -14.349 1.00 61.63 ? 51 SER h C 1 +ATOM 41760 O O . SER Y 7 50 ? 44.314 27.458 -14.477 1.00 65.56 ? 51 SER h O 1 +ATOM 41761 C CB . SER Y 7 50 ? 43.585 25.832 -16.605 1.00 59.97 ? 51 SER h CB 1 +ATOM 41762 O OG . SER Y 7 50 ? 43.964 25.385 -17.892 1.00 70.46 ? 51 SER h OG 1 +ATOM 41763 N N . THR Y 7 51 ? 44.924 25.740 -13.167 1.00 63.98 ? 52 THR h N 1 +ATOM 41764 C CA . THR Y 7 51 ? 45.273 26.553 -12.011 1.00 66.56 ? 52 THR h CA 1 +ATOM 41765 C C . THR Y 7 51 ? 46.773 26.837 -11.967 1.00 68.06 ? 52 THR h C 1 +ATOM 41766 O O . THR Y 7 51 ? 47.193 27.890 -11.468 1.00 70.10 ? 52 THR h O 1 +ATOM 41767 C CB . THR Y 7 51 ? 44.796 25.852 -10.728 1.00 58.26 ? 52 THR h CB 1 +ATOM 41768 O OG1 . THR Y 7 51 ? 43.382 26.033 -10.600 1.00 61.04 ? 52 THR h OG1 1 +ATOM 41769 C CG2 . THR Y 7 51 ? 45.480 26.408 -9.463 1.00 68.69 ? 52 THR h CG2 1 +ATOM 41770 N N . LEU Y 7 52 ? 47.580 25.932 -12.507 1.00 59.35 ? 53 LEU h N 1 +ATOM 41771 C CA . LEU Y 7 52 ? 49.004 26.142 -12.703 1.00 63.35 ? 53 LEU h CA 1 +ATOM 41772 C C . LEU Y 7 52 ? 49.255 26.235 -14.201 1.00 71.53 ? 53 LEU h C 1 +ATOM 41773 O O . LEU Y 7 52 ? 49.030 25.263 -14.932 1.00 70.51 ? 53 LEU h O 1 +ATOM 41774 C CB . LEU Y 7 52 ? 49.811 25.008 -12.071 1.00 62.89 ? 53 LEU h CB 1 +ATOM 41775 C CG . LEU Y 7 52 ? 51.338 25.025 -12.178 1.00 72.70 ? 53 LEU h CG 1 +ATOM 41776 C CD1 . LEU Y 7 52 ? 51.955 26.366 -11.778 1.00 68.17 ? 53 LEU h CD1 1 +ATOM 41777 C CD2 . LEU Y 7 52 ? 51.894 23.940 -11.312 1.00 57.97 ? 53 LEU h CD2 1 +ATOM 41778 N N . ILE Y 7 53 ? 49.692 27.406 -14.656 1.00 58.14 ? 54 ILE h N 1 +ATOM 41779 C CA . ILE Y 7 53 ? 49.896 27.695 -16.070 1.00 66.11 ? 54 ILE h CA 1 +ATOM 41780 C C . ILE Y 7 53 ? 51.387 27.907 -16.308 1.00 71.90 ? 54 ILE h C 1 +ATOM 41781 O O . ILE Y 7 53 ? 51.976 28.849 -15.767 1.00 74.51 ? 54 ILE h O 1 +ATOM 41782 C CB . ILE Y 7 53 ? 49.082 28.921 -16.502 1.00 63.35 ? 54 ILE h CB 1 +ATOM 41783 C CG1 . ILE Y 7 53 ? 47.624 28.724 -16.075 1.00 68.25 ? 54 ILE h CG1 1 +ATOM 41784 C CG2 . ILE Y 7 53 ? 49.219 29.132 -17.994 1.00 56.36 ? 54 ILE h CG2 1 +ATOM 41785 C CD1 . ILE Y 7 53 ? 46.783 29.979 -16.050 1.00 67.90 ? 54 ILE h CD1 1 +ATOM 41786 N N . LEU Y 7 54 ? 51.994 27.041 -17.112 1.00 70.13 ? 55 LEU h N 1 +ATOM 41787 C CA . LEU Y 7 54 ? 53.427 27.075 -17.365 1.00 67.89 ? 55 LEU h CA 1 +ATOM 41788 C C . LEU Y 7 54 ? 53.708 27.548 -18.785 1.00 76.56 ? 55 LEU h C 1 +ATOM 41789 O O . LEU Y 7 54 ? 52.889 27.367 -19.691 1.00 74.90 ? 55 LEU h O 1 +ATOM 41790 C CB . LEU Y 7 54 ? 54.068 25.696 -17.161 1.00 63.21 ? 55 LEU h CB 1 +ATOM 41791 C CG . LEU Y 7 54 ? 53.808 24.987 -15.831 1.00 70.37 ? 55 LEU h CG 1 +ATOM 41792 C CD1 . LEU Y 7 54 ? 54.629 23.721 -15.737 1.00 74.05 ? 55 LEU h CD1 1 +ATOM 41793 C CD2 . LEU Y 7 54 ? 54.116 25.904 -14.668 1.00 82.03 ? 55 LEU h CD2 1 +ATOM 41794 N N . ASP Y 7 55 ? 54.887 28.147 -18.965 1.00 83.08 ? 56 ASP h N 1 +ATOM 41795 C CA . ASP Y 7 55 ? 55.299 28.654 -20.270 1.00 82.17 ? 56 ASP h CA 1 +ATOM 41796 C C . ASP Y 7 55 ? 55.444 27.530 -21.281 1.00 79.38 ? 56 ASP h C 1 +ATOM 41797 O O . ASP Y 7 55 ? 56.149 26.546 -21.036 1.00 75.05 ? 56 ASP h O 1 +ATOM 41798 C CB . ASP Y 7 55 ? 56.623 29.400 -20.155 1.00 104.57 ? 56 ASP h CB 1 +ATOM 41799 C CG . ASP Y 7 55 ? 56.433 30.840 -19.816 1.00 114.52 ? 56 ASP h CG 1 +ATOM 41800 O OD1 . ASP Y 7 55 ? 55.566 31.476 -20.460 1.00 107.88 ? 56 ASP h OD1 1 +ATOM 41801 O OD2 . ASP Y 7 55 ? 57.130 31.324 -18.897 1.00 136.63 ? 56 ASP h OD2 1 +ATOM 41802 N N . GLY Y 7 56 ? 54.791 27.697 -22.432 1.00 73.56 ? 57 GLY h N 1 +ATOM 41803 C CA . GLY Y 7 56 ? 54.837 26.687 -23.477 1.00 77.63 ? 57 GLY h CA 1 +ATOM 41804 C C . GLY Y 7 56 ? 54.206 25.357 -23.118 1.00 78.15 ? 57 GLY h C 1 +ATOM 41805 O O . GLY Y 7 56 ? 54.566 24.331 -23.704 1.00 91.04 ? 57 GLY h O 1 +ATOM 41806 N N . VAL Y 7 57 ? 53.293 25.332 -22.150 1.00 76.01 ? 58 VAL h N 1 +ATOM 41807 C CA . VAL Y 7 57 ? 52.488 24.153 -21.858 1.00 66.25 ? 58 VAL h CA 1 +ATOM 41808 C C . VAL Y 7 57 ? 51.041 24.542 -22.131 1.00 63.83 ? 58 VAL h C 1 +ATOM 41809 O O . VAL Y 7 57 ? 50.368 25.138 -21.281 1.00 63.46 ? 58 VAL h O 1 +ATOM 41810 C CB . VAL Y 7 57 ? 52.682 23.644 -20.430 1.00 68.79 ? 58 VAL h CB 1 +ATOM 41811 C CG1 . VAL Y 7 57 ? 51.759 22.449 -20.161 1.00 63.12 ? 58 VAL h CG1 1 +ATOM 41812 C CG2 . VAL Y 7 57 ? 54.148 23.250 -20.226 1.00 60.79 ? 58 VAL h CG2 1 +ATOM 41813 N N . ASN Y 7 58 ? 50.569 24.210 -23.330 1.00 61.05 ? 59 ASN h N 1 +ATOM 41814 C CA . ASN Y 7 58 ? 49.226 24.541 -23.795 1.00 68.26 ? 59 ASN h CA 1 +ATOM 41815 C C . ASN Y 7 58 ? 48.331 23.330 -23.549 1.00 74.72 ? 59 ASN h C 1 +ATOM 41816 O O . ASN Y 7 58 ? 48.384 22.342 -24.284 1.00 66.42 ? 59 ASN h O 1 +ATOM 41817 C CB . ASN Y 7 58 ? 49.265 24.921 -25.269 1.00 67.60 ? 59 ASN h CB 1 +ATOM 41818 C CG . ASN Y 7 58 ? 47.935 25.430 -25.775 1.00 86.67 ? 59 ASN h CG 1 +ATOM 41819 O OD1 . ASN Y 7 58 ? 47.158 26.032 -25.028 1.00 93.01 ? 59 ASN h OD1 1 +ATOM 41820 N ND2 . ASN Y 7 58 ? 47.661 25.191 -27.052 1.00 94.61 ? 59 ASN h ND2 1 +ATOM 41821 N N . VAL Y 7 59 ? 47.517 23.401 -22.500 1.00 77.68 ? 60 VAL h N 1 +ATOM 41822 C CA . VAL Y 7 59 ? 46.679 22.277 -22.110 1.00 63.00 ? 60 VAL h CA 1 +ATOM 41823 C C . VAL Y 7 59 ? 45.414 22.315 -22.946 1.00 62.98 ? 60 VAL h C 1 +ATOM 41824 O O . VAL Y 7 59 ? 44.362 22.790 -22.507 1.00 63.12 ? 60 VAL h O 1 +ATOM 41825 C CB . VAL Y 7 59 ? 46.394 22.313 -20.605 1.00 63.47 ? 60 VAL h CB 1 +ATOM 41826 C CG1 . VAL Y 7 59 ? 45.442 21.192 -20.212 1.00 65.31 ? 60 VAL h CG1 1 +ATOM 41827 C CG2 . VAL Y 7 59 ? 47.724 22.189 -19.862 1.00 61.65 ? 60 VAL h CG2 1 +ATOM 41828 N N . SER Y 7 60 ? 45.530 21.826 -24.174 1.00 69.71 ? 61 SER h N 1 +ATOM 41829 C CA . SER Y 7 60 ? 44.469 21.870 -25.166 1.00 62.48 ? 61 SER h CA 1 +ATOM 41830 C C . SER Y 7 60 ? 44.761 20.795 -26.198 1.00 73.55 ? 61 SER h C 1 +ATOM 41831 O O . SER Y 7 60 ? 45.900 20.335 -26.327 1.00 60.53 ? 61 SER h O 1 +ATOM 41832 C CB . SER Y 7 60 ? 44.383 23.251 -25.822 1.00 60.28 ? 61 SER h CB 1 +ATOM 41833 O OG . SER Y 7 60 ? 43.519 23.212 -26.940 1.00 86.04 ? 61 SER h OG 1 +ATOM 41834 N N . TRP Y 7 61 ? 43.710 20.381 -26.919 1.00 62.82 ? 62 TRP h N 1 +ATOM 41835 C CA . TRP Y 7 61 ? 43.925 19.500 -28.061 1.00 60.77 ? 62 TRP h CA 1 +ATOM 41836 C C . TRP Y 7 61 ? 44.934 20.110 -29.019 1.00 81.94 ? 62 TRP h C 1 +ATOM 41837 O O . TRP Y 7 61 ? 45.739 19.387 -29.620 1.00 65.53 ? 62 TRP h O 1 +ATOM 41838 C CB . TRP Y 7 61 ? 42.616 19.240 -28.811 1.00 71.00 ? 62 TRP h CB 1 +ATOM 41839 C CG . TRP Y 7 61 ? 41.589 18.494 -28.047 1.00 60.31 ? 62 TRP h CG 1 +ATOM 41840 C CD1 . TRP Y 7 61 ? 40.478 19.013 -27.433 1.00 63.70 ? 62 TRP h CD1 1 +ATOM 41841 C CD2 . TRP Y 7 61 ? 41.561 17.084 -27.811 1.00 63.15 ? 62 TRP h CD2 1 +ATOM 41842 N NE1 . TRP Y 7 61 ? 39.766 18.002 -26.820 1.00 65.98 ? 62 TRP h NE1 1 +ATOM 41843 C CE2 . TRP Y 7 61 ? 40.408 16.810 -27.042 1.00 70.13 ? 62 TRP h CE2 1 +ATOM 41844 C CE3 . TRP Y 7 61 ? 42.404 16.025 -28.164 1.00 59.98 ? 62 TRP h CE3 1 +ATOM 41845 C CZ2 . TRP Y 7 61 ? 40.072 15.521 -26.641 1.00 56.96 ? 62 TRP h CZ2 1 +ATOM 41846 C CZ3 . TRP Y 7 61 ? 42.080 14.758 -27.754 1.00 63.42 ? 62 TRP h CZ3 1 +ATOM 41847 C CH2 . TRP Y 7 61 ? 40.922 14.510 -27.000 1.00 60.08 ? 62 TRP h CH2 1 +ATOM 41848 N N . LYS Y 7 62 ? 44.932 21.446 -29.134 1.00 66.92 ? 63 LYS h N 1 +ATOM 41849 C CA . LYS Y 7 62 ? 45.838 22.182 -30.008 1.00 88.58 ? 63 LYS h CA 1 +ATOM 41850 C C . LYS Y 7 62 ? 47.281 22.125 -29.515 1.00 79.78 ? 63 LYS h C 1 +ATOM 41851 O O . LYS Y 7 62 ? 48.065 23.039 -29.780 1.00 121.51 ? 63 LYS h O 1 +ATOM 41852 C CB . LYS Y 7 62 ? 45.385 23.641 -30.146 1.00 84.93 ? 63 LYS h CB 1 +ATOM 41853 C CG . LYS Y 7 62 ? 44.036 23.807 -30.828 1.00 88.60 ? 63 LYS h CG 1 +ATOM 41854 C CD . LYS Y 7 62 ? 43.774 25.258 -31.221 1.00 110.17 ? 63 LYS h CD 1 +ATOM 41855 C CE . LYS Y 7 62 ? 44.602 25.660 -32.442 1.00 99.11 ? 63 LYS h CE 1 +ATOM 41856 N NZ . LYS Y 7 62 ? 44.315 27.052 -32.883 1.00 119.44 ? 63 LYS h NZ 1 +ATOM 41857 N N . ALA Y 7 63 ? 47.633 21.070 -28.785 1.00 108.23 ? 64 ALA h N 1 +ATOM 41858 C CA . ALA Y 7 63 ? 49.021 20.683 -28.567 1.00 119.67 ? 64 ALA h CA 1 +ATOM 41859 C C . ALA Y 7 63 ? 49.340 19.359 -29.261 1.00 127.43 ? 64 ALA h C 1 +ATOM 41860 O O . ALA Y 7 63 ? 50.186 18.592 -28.794 1.00 114.71 ? 64 ALA h O 1 +ATOM 41861 C CB . ALA Y 7 63 ? 49.329 20.587 -27.073 1.00 96.43 ? 64 ALA h CB 1 +ATOM 41862 N N . LEU Y 7 64 ? 48.656 19.084 -30.375 1.00 120.10 ? 65 LEU h N 1 +ATOM 41863 C CA . LEU Y 7 64 ? 48.771 17.806 -31.085 1.00 123.17 ? 65 LEU h CA 1 +ATOM 41864 C C . LEU Y 7 64 ? 49.420 17.986 -32.465 1.00 119.20 ? 65 LEU h C 1 +ATOM 41865 O O . LEU Y 7 64 ? 49.660 19.114 -32.917 1.00 121.63 ? 65 LEU h O 1 +ATOM 41866 C CB . LEU Y 7 64 ? 47.386 17.151 -31.226 1.00 109.06 ? 65 LEU h CB 1 +ATOM 41867 C CG . LEU Y 7 64 ? 47.025 15.863 -30.459 1.00 105.88 ? 65 LEU h CG 1 +ATOM 41868 C CD1 . LEU Y 7 64 ? 47.206 16.004 -28.981 1.00 99.30 ? 65 LEU h CD1 1 +ATOM 41869 C CD2 . LEU Y 7 64 ? 45.587 15.439 -30.739 1.00 94.33 ? 65 LEU h CD2 1 +HETATM 41870 N N . FME Z 8 1 ? -29.135 -2.045 -12.432 1.00 72.14 ? 1 FME i N 1 +HETATM 41871 C CN . FME Z 8 1 ? -29.105 -3.353 -12.159 1.00 90.61 ? 1 FME i CN 1 +HETATM 41872 O O1 . FME Z 8 1 ? -28.580 -3.777 -11.139 1.00 77.78 ? 1 FME i O1 1 +HETATM 41873 C CA . FME Z 8 1 ? -28.498 -1.091 -11.552 1.00 67.95 ? 1 FME i CA 1 +HETATM 41874 C CB . FME Z 8 1 ? -28.416 0.294 -12.192 1.00 53.76 ? 1 FME i CB 1 +HETATM 41875 C CG . FME Z 8 1 ? -27.449 0.344 -13.363 1.00 67.73 ? 1 FME i CG 1 +HETATM 41876 S SD . FME Z 8 1 ? -25.837 -0.152 -12.867 1.00 70.53 ? 1 FME i SD 1 +HETATM 41877 C CE . FME Z 8 1 ? -24.935 0.268 -14.326 1.00 62.83 ? 1 FME i CE 1 +HETATM 41878 C C . FME Z 8 1 ? -29.232 -0.970 -10.251 1.00 68.57 ? 1 FME i C 1 +HETATM 41879 O O . FME Z 8 1 ? -28.594 -0.731 -9.208 1.00 69.88 ? 1 FME i O 1 +ATOM 41880 N N . GLU Z 8 2 ? -30.553 -1.098 -10.280 1.00 76.43 ? 2 GLU i N 1 +ATOM 41881 C CA . GLU Z 8 2 ? -31.347 -0.934 -9.071 1.00 79.86 ? 2 GLU i CA 1 +ATOM 41882 C C . GLU Z 8 2 ? -31.107 -2.140 -8.156 1.00 81.24 ? 2 GLU i C 1 +ATOM 41883 O O . GLU Z 8 2 ? -31.007 -2.000 -6.943 1.00 65.84 ? 2 GLU i O 1 +ATOM 41884 C CB . GLU Z 8 2 ? -32.830 -0.778 -9.416 1.00 83.24 ? 2 GLU i CB 1 +ATOM 41885 C CG . GLU Z 8 2 ? -33.711 -0.338 -8.245 1.00 88.91 ? 2 GLU i CG 1 +ATOM 41886 C CD . GLU Z 8 2 ? -33.566 1.141 -7.914 1.00 128.31 ? 2 GLU i CD 1 +ATOM 41887 O OE1 . GLU Z 8 2 ? -33.097 1.915 -8.787 1.00 119.77 ? 2 GLU i OE1 1 +ATOM 41888 O OE2 . GLU Z 8 2 ? -33.924 1.530 -6.776 1.00 142.58 ? 2 GLU i OE2 1 +ATOM 41889 N N . THR Z 8 3 ? -30.979 -3.322 -8.766 1.00 67.27 ? 3 THR i N 1 +ATOM 41890 C CA . THR Z 8 3 ? -30.645 -4.513 -7.998 1.00 67.45 ? 3 THR i CA 1 +ATOM 41891 C C . THR Z 8 3 ? -29.273 -4.382 -7.351 1.00 76.48 ? 3 THR i C 1 +ATOM 41892 O O . THR Z 8 3 ? -29.096 -4.728 -6.173 1.00 76.47 ? 3 THR i O 1 +ATOM 41893 C CB . THR Z 8 3 ? -30.701 -5.746 -8.898 1.00 71.59 ? 3 THR i CB 1 +ATOM 41894 O OG1 . THR Z 8 3 ? -32.053 -5.974 -9.305 1.00 81.65 ? 3 THR i OG1 1 +ATOM 41895 C CG2 . THR Z 8 3 ? -30.195 -6.968 -8.168 1.00 71.30 ? 3 THR i CG2 1 +ATOM 41896 N N . LEU Z 8 4 ? -28.289 -3.882 -8.103 1.00 70.54 ? 4 LEU i N 1 +ATOM 41897 C CA . LEU Z 8 4 ? -26.958 -3.678 -7.541 1.00 69.56 ? 4 LEU i CA 1 +ATOM 41898 C C . LEU Z 8 4 ? -27.018 -2.747 -6.341 1.00 66.23 ? 4 LEU i C 1 +ATOM 41899 O O . LEU Z 8 4 ? -26.413 -3.016 -5.295 1.00 60.52 ? 4 LEU i O 1 +ATOM 41900 C CB . LEU Z 8 4 ? -26.010 -3.111 -8.598 1.00 68.61 ? 4 LEU i CB 1 +ATOM 41901 C CG . LEU Z 8 4 ? -24.612 -2.811 -8.054 1.00 59.46 ? 4 LEU i CG 1 +ATOM 41902 C CD1 . LEU Z 8 4 ? -23.907 -4.124 -7.707 1.00 56.82 ? 4 LEU i CD1 1 +ATOM 41903 C CD2 . LEU Z 8 4 ? -23.817 -2.027 -9.065 1.00 63.73 ? 4 LEU i CD2 1 +ATOM 41904 N N . LYS Z 8 5 ? -27.760 -1.647 -6.480 1.00 56.24 ? 5 LYS i N 1 +ATOM 41905 C CA . LYS Z 8 5 ? -27.869 -0.656 -5.418 1.00 58.30 ? 5 LYS i CA 1 +ATOM 41906 C C . LYS Z 8 5 ? -28.475 -1.258 -4.151 1.00 72.54 ? 5 LYS i C 1 +ATOM 41907 O O . LYS Z 8 5 ? -27.966 -1.043 -3.043 1.00 65.35 ? 5 LYS i O 1 +ATOM 41908 C CB . LYS Z 8 5 ? -28.700 0.524 -5.917 1.00 61.57 ? 5 LYS i CB 1 +ATOM 41909 C CG . LYS Z 8 5 ? -28.888 1.631 -4.901 1.00 62.20 ? 5 LYS i CG 1 +ATOM 41910 C CD . LYS Z 8 5 ? -29.874 2.658 -5.399 1.00 58.49 ? 5 LYS i CD 1 +ATOM 41911 C CE . LYS Z 8 5 ? -30.061 3.747 -4.377 1.00 77.23 ? 5 LYS i CE 1 +ATOM 41912 N NZ . LYS Z 8 5 ? -31.113 4.712 -4.809 1.00 100.74 ? 5 LYS i NZ 1 +ATOM 41913 N N . ILE Z 8 6 ? -29.571 -2.011 -4.296 1.00 65.00 ? 6 ILE i N 1 +ATOM 41914 C CA . ILE Z 8 6 ? -30.186 -2.677 -3.148 1.00 65.12 ? 6 ILE i CA 1 +ATOM 41915 C C . ILE Z 8 6 ? -29.207 -3.653 -2.513 1.00 64.51 ? 6 ILE i C 1 +ATOM 41916 O O . ILE Z 8 6 ? -29.077 -3.716 -1.286 1.00 72.69 ? 6 ILE i O 1 +ATOM 41917 C CB . ILE Z 8 6 ? -31.482 -3.396 -3.571 1.00 74.23 ? 6 ILE i CB 1 +ATOM 41918 C CG1 . ILE Z 8 6 ? -32.475 -2.417 -4.207 1.00 77.40 ? 6 ILE i CG1 1 +ATOM 41919 C CG2 . ILE Z 8 6 ? -32.114 -4.089 -2.366 1.00 69.97 ? 6 ILE i CG2 1 +ATOM 41920 C CD1 . ILE Z 8 6 ? -32.954 -1.335 -3.269 1.00 95.01 ? 6 ILE i CD1 1 +ATOM 41921 N N . THR Z 8 7 ? -28.504 -4.429 -3.346 1.00 64.49 ? 7 THR i N 1 +ATOM 41922 C CA . THR Z 8 7 ? -27.554 -5.415 -2.845 1.00 51.67 ? 7 THR i CA 1 +ATOM 41923 C C . THR Z 8 7 ? -26.456 -4.775 -2.003 1.00 54.42 ? 7 THR i C 1 +ATOM 41924 O O . THR Z 8 7 ? -26.122 -5.283 -0.928 1.00 67.89 ? 7 THR i O 1 +ATOM 41925 C CB . THR Z 8 7 ? -26.963 -6.191 -4.015 1.00 66.52 ? 7 THR i CB 1 +ATOM 41926 O OG1 . THR Z 8 7 ? -28.016 -6.919 -4.657 1.00 70.24 ? 7 THR i OG1 1 +ATOM 41927 C CG2 . THR Z 8 7 ? -25.885 -7.168 -3.545 1.00 55.36 ? 7 THR i CG2 1 +ATOM 41928 N N . VAL Z 8 8 ? -25.911 -3.640 -2.443 1.00 60.08 ? 8 VAL i N 1 +ATOM 41929 C CA . VAL Z 8 8 ? -24.830 -3.006 -1.690 1.00 51.10 ? 8 VAL i CA 1 +ATOM 41930 C C . VAL Z 8 8 ? -25.366 -2.380 -0.410 1.00 57.26 ? 8 VAL i C 1 +ATOM 41931 O O . VAL Z 8 8 ? -24.714 -2.430 0.642 1.00 59.32 ? 8 VAL i O 1 +ATOM 41932 C CB . VAL Z 8 8 ? -24.087 -1.976 -2.564 1.00 48.39 ? 8 VAL i CB 1 +ATOM 41933 C CG1 . VAL Z 8 8 ? -23.168 -1.092 -1.728 1.00 45.73 ? 8 VAL i CG1 1 +ATOM 41934 C CG2 . VAL Z 8 8 ? -23.291 -2.698 -3.686 1.00 54.36 ? 8 VAL i CG2 1 +ATOM 41935 N N . TYR Z 8 9 ? -26.553 -1.775 -0.474 1.00 53.28 ? 9 TYR i N 1 +ATOM 41936 C CA . TYR Z 8 9 ? -27.148 -1.212 0.732 1.00 53.26 ? 9 TYR i CA 1 +ATOM 41937 C C . TYR Z 8 9 ? -27.337 -2.287 1.797 1.00 51.19 ? 9 TYR i C 1 +ATOM 41938 O O . TYR Z 8 9 ? -27.014 -2.074 2.966 1.00 60.94 ? 9 TYR i O 1 +ATOM 41939 C CB . TYR Z 8 9 ? -28.475 -0.539 0.392 1.00 56.39 ? 9 TYR i CB 1 +ATOM 41940 C CG . TYR Z 8 9 ? -28.306 0.904 -0.009 1.00 57.21 ? 9 TYR i CG 1 +ATOM 41941 C CD1 . TYR Z 8 9 ? -27.537 1.244 -1.112 1.00 68.95 ? 9 TYR i CD1 1 +ATOM 41942 C CD2 . TYR Z 8 9 ? -28.898 1.926 0.717 1.00 79.01 ? 9 TYR i CD2 1 +ATOM 41943 C CE1 . TYR Z 8 9 ? -27.364 2.550 -1.492 1.00 65.76 ? 9 TYR i CE1 1 +ATOM 41944 C CE2 . TYR Z 8 9 ? -28.730 3.258 0.347 1.00 91.96 ? 9 TYR i CE2 1 +ATOM 41945 C CZ . TYR Z 8 9 ? -27.962 3.559 -0.766 1.00 81.77 ? 9 TYR i CZ 1 +ATOM 41946 O OH . TYR Z 8 9 ? -27.773 4.865 -1.160 1.00 82.00 ? 9 TYR i OH 1 +ATOM 41947 N N . ILE Z 8 10 ? -27.818 -3.464 1.398 1.00 55.25 ? 10 ILE i N 1 +ATOM 41948 C CA . ILE Z 8 10 ? -28.041 -4.539 2.352 1.00 57.98 ? 10 ILE i CA 1 +ATOM 41949 C C . ILE Z 8 10 ? -26.715 -5.055 2.896 1.00 66.43 ? 10 ILE i C 1 +ATOM 41950 O O . ILE Z 8 10 ? -26.573 -5.267 4.105 1.00 66.66 ? 10 ILE i O 1 +ATOM 41951 C CB . ILE Z 8 10 ? -28.868 -5.658 1.694 1.00 64.98 ? 10 ILE i CB 1 +ATOM 41952 C CG1 . ILE Z 8 10 ? -30.328 -5.227 1.555 1.00 64.49 ? 10 ILE i CG1 1 +ATOM 41953 C CG2 . ILE Z 8 10 ? -28.751 -6.937 2.484 1.00 60.01 ? 10 ILE i CG2 1 +ATOM 41954 C CD1 . ILE Z 8 10 ? -31.155 -6.186 0.697 1.00 67.88 ? 10 ILE i CD1 1 +ATOM 41955 N N . VAL Z 8 11 ? -25.719 -5.241 2.022 1.00 66.15 ? 11 VAL i N 1 +ATOM 41956 C CA . VAL Z 8 11 ? -24.412 -5.733 2.466 1.00 61.10 ? 11 VAL i CA 1 +ATOM 41957 C C . VAL Z 8 11 ? -23.764 -4.745 3.438 1.00 59.46 ? 11 VAL i C 1 +ATOM 41958 O O . VAL Z 8 11 ? -23.241 -5.131 4.491 1.00 57.41 ? 11 VAL i O 1 +ATOM 41959 C CB . VAL Z 8 11 ? -23.498 -6.007 1.256 1.00 68.79 ? 11 VAL i CB 1 +ATOM 41960 C CG1 . VAL Z 8 11 ? -22.022 -6.008 1.682 1.00 60.93 ? 11 VAL i CG1 1 +ATOM 41961 C CG2 . VAL Z 8 11 ? -23.872 -7.327 0.577 1.00 55.60 ? 11 VAL i CG2 1 +ATOM 41962 N N . VAL Z 8 12 ? -23.796 -3.455 3.103 1.00 56.49 ? 12 VAL i N 1 +ATOM 41963 C CA . VAL Z 8 12 ? -23.171 -2.452 3.962 1.00 61.51 ? 12 VAL i CA 1 +ATOM 41964 C C . VAL Z 8 12 ? -23.869 -2.393 5.318 1.00 68.31 ? 12 VAL i C 1 +ATOM 41965 O O . VAL Z 8 12 ? -23.220 -2.233 6.357 1.00 61.49 ? 12 VAL i O 1 +ATOM 41966 C CB . VAL Z 8 12 ? -23.159 -1.074 3.266 1.00 57.76 ? 12 VAL i CB 1 +ATOM 41967 C CG1 . VAL Z 8 12 ? -22.675 0.013 4.225 1.00 55.45 ? 12 VAL i CG1 1 +ATOM 41968 C CG2 . VAL Z 8 12 ? -22.277 -1.100 2.008 1.00 54.14 ? 12 VAL i CG2 1 +ATOM 41969 N N . THR Z 8 13 ? -25.201 -2.502 5.335 1.00 60.63 ? 13 THR i N 1 +ATOM 41970 C CA . THR Z 8 13 ? -25.917 -2.404 6.607 1.00 64.25 ? 13 THR i CA 1 +ATOM 41971 C C . THR Z 8 13 ? -25.613 -3.601 7.499 1.00 59.96 ? 13 THR i C 1 +ATOM 41972 O O . THR Z 8 13 ? -25.377 -3.447 8.702 1.00 57.40 ? 13 THR i O 1 +ATOM 41973 C CB . THR Z 8 13 ? -27.417 -2.293 6.355 1.00 66.74 ? 13 THR i CB 1 +ATOM 41974 O OG1 . THR Z 8 13 ? -27.678 -1.098 5.621 1.00 61.36 ? 13 THR i OG1 1 +ATOM 41975 C CG2 . THR Z 8 13 ? -28.189 -2.254 7.672 1.00 64.51 ? 13 THR i CG2 1 +ATOM 41976 N N . PHE Z 8 14 ? -25.602 -4.796 6.911 1.00 58.07 ? 14 PHE i N 1 +ATOM 41977 C CA . PHE Z 8 14 ? -25.220 -6.012 7.616 1.00 60.57 ? 14 PHE i CA 1 +ATOM 41978 C C . PHE Z 8 14 ? -23.890 -5.846 8.347 1.00 71.76 ? 14 PHE i C 1 +ATOM 41979 O O . PHE Z 8 14 ? -23.811 -6.021 9.567 1.00 70.14 ? 14 PHE i O 1 +ATOM 41980 C CB . PHE Z 8 14 ? -25.158 -7.162 6.615 1.00 58.20 ? 14 PHE i CB 1 +ATOM 41981 C CG . PHE Z 8 14 ? -24.603 -8.425 7.185 1.00 73.93 ? 14 PHE i CG 1 +ATOM 41982 C CD1 . PHE Z 8 14 ? -25.344 -9.176 8.082 1.00 76.04 ? 14 PHE i CD1 1 +ATOM 41983 C CD2 . PHE Z 8 14 ? -23.336 -8.869 6.820 1.00 70.99 ? 14 PHE i CD2 1 +ATOM 41984 C CE1 . PHE Z 8 14 ? -24.832 -10.348 8.608 1.00 73.08 ? 14 PHE i CE1 1 +ATOM 41985 C CE2 . PHE Z 8 14 ? -22.817 -10.038 7.343 1.00 70.52 ? 14 PHE i CE2 1 +ATOM 41986 C CZ . PHE Z 8 14 ? -23.565 -10.780 8.234 1.00 81.05 ? 14 PHE i CZ 1 +ATOM 41987 N N . PHE Z 8 15 ? -22.830 -5.481 7.618 1.00 64.44 ? 15 PHE i N 1 +ATOM 41988 C CA . PHE Z 8 15 ? -21.515 -5.376 8.245 1.00 62.44 ? 15 PHE i CA 1 +ATOM 41989 C C . PHE Z 8 15 ? -21.456 -4.269 9.295 1.00 63.59 ? 15 PHE i C 1 +ATOM 41990 O O . PHE Z 8 15 ? -20.739 -4.408 10.292 1.00 61.24 ? 15 PHE i O 1 +ATOM 41991 C CB . PHE Z 8 15 ? -20.439 -5.165 7.176 1.00 51.36 ? 15 PHE i CB 1 +ATOM 41992 C CG . PHE Z 8 15 ? -20.028 -6.431 6.492 1.00 60.22 ? 15 PHE i CG 1 +ATOM 41993 C CD1 . PHE Z 8 15 ? -19.216 -7.344 7.139 1.00 55.28 ? 15 PHE i CD1 1 +ATOM 41994 C CD2 . PHE Z 8 15 ? -20.480 -6.730 5.217 1.00 62.60 ? 15 PHE i CD2 1 +ATOM 41995 C CE1 . PHE Z 8 15 ? -18.849 -8.529 6.525 1.00 61.18 ? 15 PHE i CE1 1 +ATOM 41996 C CE2 . PHE Z 8 15 ? -20.111 -7.922 4.600 1.00 62.10 ? 15 PHE i CE2 1 +ATOM 41997 C CZ . PHE Z 8 15 ? -19.287 -8.815 5.261 1.00 56.65 ? 15 PHE i CZ 1 +ATOM 41998 N N . VAL Z 8 16 ? -22.180 -3.168 9.095 1.00 56.07 ? 16 VAL i N 1 +ATOM 41999 C CA . VAL Z 8 16 ? -22.155 -2.096 10.080 1.00 57.89 ? 16 VAL i CA 1 +ATOM 42000 C C . VAL Z 8 16 ? -22.867 -2.531 11.358 1.00 67.81 ? 16 VAL i C 1 +ATOM 42001 O O . VAL Z 8 16 ? -22.424 -2.213 12.470 1.00 60.27 ? 16 VAL i O 1 +ATOM 42002 C CB . VAL Z 8 16 ? -22.758 -0.810 9.497 1.00 60.30 ? 16 VAL i CB 1 +ATOM 42003 C CG1 . VAL Z 8 16 ? -22.883 0.248 10.575 1.00 68.70 ? 16 VAL i CG1 1 +ATOM 42004 C CG2 . VAL Z 8 16 ? -21.871 -0.286 8.379 1.00 72.02 ? 16 VAL i CG2 1 +ATOM 42005 N N . LEU Z 8 17 ? -23.965 -3.279 11.220 1.00 54.03 ? 17 LEU i N 1 +ATOM 42006 C CA . LEU Z 8 17 ? -24.637 -3.813 12.396 1.00 63.47 ? 17 LEU i CA 1 +ATOM 42007 C C . LEU Z 8 17 ? -23.705 -4.726 13.178 1.00 64.87 ? 17 LEU i C 1 +ATOM 42008 O O . LEU Z 8 17 ? -23.652 -4.658 14.414 1.00 63.00 ? 17 LEU i O 1 +ATOM 42009 C CB . LEU Z 8 17 ? -25.908 -4.563 11.994 1.00 65.50 ? 17 LEU i CB 1 +ATOM 42010 C CG . LEU Z 8 17 ? -27.079 -3.727 11.475 1.00 70.97 ? 17 LEU i CG 1 +ATOM 42011 C CD1 . LEU Z 8 17 ? -28.256 -4.628 11.097 1.00 68.58 ? 17 LEU i CD1 1 +ATOM 42012 C CD2 . LEU Z 8 17 ? -27.478 -2.707 12.494 1.00 64.69 ? 17 LEU i CD2 1 +ATOM 42013 N N . LEU Z 8 18 ? -22.960 -5.586 12.472 1.00 58.99 ? 18 LEU i N 1 +ATOM 42014 C CA . LEU Z 8 18 ? -22.013 -6.475 13.142 1.00 64.04 ? 18 LEU i CA 1 +ATOM 42015 C C . LEU Z 8 18 ? -20.982 -5.679 13.927 1.00 59.74 ? 18 LEU i C 1 +ATOM 42016 O O . LEU Z 8 18 ? -20.661 -6.016 15.066 1.00 60.03 ? 18 LEU i O 1 +ATOM 42017 C CB . LEU Z 8 18 ? -21.316 -7.375 12.121 1.00 58.68 ? 18 LEU i CB 1 +ATOM 42018 C CG . LEU Z 8 18 ? -22.058 -8.544 11.478 1.00 59.18 ? 18 LEU i CG 1 +ATOM 42019 C CD1 . LEU Z 8 18 ? -21.145 -9.233 10.467 1.00 63.71 ? 18 LEU i CD1 1 +ATOM 42020 C CD2 . LEU Z 8 18 ? -22.533 -9.537 12.532 1.00 73.24 ? 18 LEU i CD2 1 +ATOM 42021 N N . PHE Z 8 19 ? -20.450 -4.621 13.320 1.00 62.69 ? 19 PHE i N 1 +ATOM 42022 C CA . PHE Z 8 19 ? -19.492 -3.761 14.000 1.00 58.31 ? 19 PHE i CA 1 +ATOM 42023 C C . PHE Z 8 19 ? -20.101 -3.179 15.270 1.00 61.11 ? 19 PHE i C 1 +ATOM 42024 O O . PHE Z 8 19 ? -19.493 -3.230 16.346 1.00 65.15 ? 19 PHE i O 1 +ATOM 42025 C CB . PHE Z 8 19 ? -19.038 -2.652 13.037 1.00 53.05 ? 19 PHE i CB 1 +ATOM 42026 C CG . PHE Z 8 19 ? -18.043 -1.687 13.626 1.00 50.38 ? 19 PHE i CG 1 +ATOM 42027 C CD1 . PHE Z 8 19 ? -16.682 -1.966 13.605 1.00 59.04 ? 19 PHE i CD1 1 +ATOM 42028 C CD2 . PHE Z 8 19 ? -18.468 -0.508 14.194 1.00 52.40 ? 19 PHE i CD2 1 +ATOM 42029 C CE1 . PHE Z 8 19 ? -15.760 -1.074 14.151 1.00 48.40 ? 19 PHE i CE1 1 +ATOM 42030 C CE2 . PHE Z 8 19 ? -17.555 0.396 14.733 1.00 63.74 ? 19 PHE i CE2 1 +ATOM 42031 C CZ . PHE Z 8 19 ? -16.192 0.101 14.710 1.00 61.57 ? 19 PHE i CZ 1 +ATOM 42032 N N . VAL Z 8 20 ? -21.312 -2.631 15.159 1.00 57.45 ? 20 VAL i N 1 +ATOM 42033 C CA . VAL Z 8 20 ? -21.936 -1.920 16.271 1.00 54.80 ? 20 VAL i CA 1 +ATOM 42034 C C . VAL Z 8 20 ? -22.304 -2.890 17.390 1.00 62.62 ? 20 VAL i C 1 +ATOM 42035 O O . VAL Z 8 20 ? -21.960 -2.676 18.556 1.00 57.35 ? 20 VAL i O 1 +ATOM 42036 C CB . VAL Z 8 20 ? -23.164 -1.136 15.771 1.00 62.36 ? 20 VAL i CB 1 +ATOM 42037 C CG1 . VAL Z 8 20 ? -24.018 -0.687 16.927 1.00 57.76 ? 20 VAL i CG1 1 +ATOM 42038 C CG2 . VAL Z 8 20 ? -22.715 0.073 14.922 1.00 64.81 ? 20 VAL i CG2 1 +ATOM 42039 N N . PHE Z 8 21 ? -22.998 -3.976 17.053 1.00 55.31 ? 21 PHE i N 1 +ATOM 42040 C CA . PHE Z 8 21 ? -23.375 -4.932 18.082 1.00 61.55 ? 21 PHE i CA 1 +ATOM 42041 C C . PHE Z 8 21 ? -22.162 -5.669 18.624 1.00 67.42 ? 21 PHE i C 1 +ATOM 42042 O O . PHE Z 8 21 ? -22.137 -6.020 19.809 1.00 64.36 ? 21 PHE i O 1 +ATOM 42043 C CB . PHE Z 8 21 ? -24.432 -5.891 17.537 1.00 56.32 ? 21 PHE i CB 1 +ATOM 42044 C CG . PHE Z 8 21 ? -25.789 -5.253 17.425 1.00 85.68 ? 21 PHE i CG 1 +ATOM 42045 C CD1 . PHE Z 8 21 ? -26.612 -5.148 18.541 1.00 89.52 ? 21 PHE i CD1 1 +ATOM 42046 C CD2 . PHE Z 8 21 ? -26.220 -4.700 16.227 1.00 89.75 ? 21 PHE i CD2 1 +ATOM 42047 C CE1 . PHE Z 8 21 ? -27.857 -4.535 18.453 1.00 106.16 ? 21 PHE i CE1 1 +ATOM 42048 C CE2 . PHE Z 8 21 ? -27.463 -4.081 16.131 1.00 90.33 ? 21 PHE i CE2 1 +ATOM 42049 C CZ . PHE Z 8 21 ? -28.283 -4.000 17.241 1.00 88.87 ? 21 PHE i CZ 1 +ATOM 42050 N N . GLY Z 8 22 ? -21.139 -5.866 17.790 1.00 62.74 ? 22 GLY i N 1 +ATOM 42051 C CA . GLY Z 8 22 ? -19.890 -6.421 18.279 1.00 52.09 ? 22 GLY i CA 1 +ATOM 42052 C C . GLY Z 8 22 ? -19.299 -5.610 19.418 1.00 63.84 ? 22 GLY i C 1 +ATOM 42053 O O . GLY Z 8 22 ? -18.971 -6.152 20.475 1.00 64.66 ? 22 GLY i O 1 +ATOM 42054 N N . PHE Z 8 23 ? -19.176 -4.292 19.232 1.00 54.48 ? 23 PHE i N 1 +ATOM 42055 C CA . PHE Z 8 23 ? -18.592 -3.476 20.293 1.00 65.56 ? 23 PHE i CA 1 +ATOM 42056 C C . PHE Z 8 23 ? -19.549 -3.226 21.460 1.00 71.10 ? 23 PHE i C 1 +ATOM 42057 O O . PHE Z 8 23 ? -19.093 -2.832 22.544 1.00 70.18 ? 23 PHE i O 1 +ATOM 42058 C CB . PHE Z 8 23 ? -18.084 -2.147 19.731 1.00 54.97 ? 23 PHE i CB 1 +ATOM 42059 C CG . PHE Z 8 23 ? -16.655 -2.201 19.243 1.00 67.65 ? 23 PHE i CG 1 +ATOM 42060 C CD1 . PHE Z 8 23 ? -15.621 -2.550 20.111 1.00 67.17 ? 23 PHE i CD1 1 +ATOM 42061 C CD2 . PHE Z 8 23 ? -16.339 -1.884 17.930 1.00 50.74 ? 23 PHE i CD2 1 +ATOM 42062 C CE1 . PHE Z 8 23 ? -14.305 -2.595 19.680 1.00 55.92 ? 23 PHE i CE1 1 +ATOM 42063 C CE2 . PHE Z 8 23 ? -15.023 -1.929 17.490 1.00 61.11 ? 23 PHE i CE2 1 +ATOM 42064 C CZ . PHE Z 8 23 ? -14.004 -2.288 18.366 1.00 60.72 ? 23 PHE i CZ 1 +ATOM 42065 N N . LEU Z 8 24 ? -20.854 -3.444 21.271 1.00 63.87 ? 24 LEU i N 1 +ATOM 42066 C CA . LEU Z 8 24 ? -21.806 -3.407 22.378 1.00 74.43 ? 24 LEU i CA 1 +ATOM 42067 C C . LEU Z 8 24 ? -21.785 -4.686 23.216 1.00 73.37 ? 24 LEU i C 1 +ATOM 42068 O O . LEU Z 8 24 ? -22.263 -4.675 24.357 1.00 74.78 ? 24 LEU i O 1 +ATOM 42069 C CB . LEU Z 8 24 ? -23.225 -3.172 21.851 1.00 60.77 ? 24 LEU i CB 1 +ATOM 42070 C CG . LEU Z 8 24 ? -23.538 -1.763 21.365 1.00 71.97 ? 24 LEU i CG 1 +ATOM 42071 C CD1 . LEU Z 8 24 ? -24.894 -1.712 20.666 1.00 69.04 ? 24 LEU i CD1 1 +ATOM 42072 C CD2 . LEU Z 8 24 ? -23.484 -0.793 22.537 1.00 70.72 ? 24 LEU i CD2 1 +ATOM 42073 N N . SER Z 8 25 ? -21.234 -5.776 22.683 1.00 68.77 ? 25 SER i N 1 +ATOM 42074 C CA . SER Z 8 25 ? -21.278 -7.082 23.335 1.00 60.35 ? 25 SER i CA 1 +ATOM 42075 C C . SER Z 8 25 ? -20.128 -7.251 24.335 1.00 57.93 ? 25 SER i C 1 +ATOM 42076 O O . SER Z 8 25 ? -19.273 -8.124 24.210 1.00 77.19 ? 25 SER i O 1 +ATOM 42077 C CB . SER Z 8 25 ? -21.259 -8.180 22.283 1.00 63.60 ? 25 SER i CB 1 +ATOM 42078 O OG . SER Z 8 25 ? -22.489 -8.224 21.584 1.00 67.03 ? 25 SER i OG 1 +ATOM 42079 N N . GLY Z 8 26 ? -20.129 -6.391 25.348 1.00 64.76 ? 26 GLY i N 1 +ATOM 42080 C CA . GLY Z 8 26 ? -19.170 -6.485 26.444 1.00 73.32 ? 26 GLY i CA 1 +ATOM 42081 C C . GLY Z 8 26 ? -17.709 -6.371 26.054 1.00 71.08 ? 26 GLY i C 1 +ATOM 42082 O O . GLY Z 8 26 ? -16.863 -7.086 26.608 1.00 66.44 ? 26 GLY i O 1 +ATOM 42083 N N . ASP Z 8 27 ? -17.381 -5.475 25.127 1.00 75.59 ? 27 ASP i N 1 +ATOM 42084 C CA . ASP Z 8 27 ? -16.006 -5.428 24.638 1.00 70.00 ? 27 ASP i CA 1 +ATOM 42085 C C . ASP Z 8 27 ? -14.966 -5.060 25.694 1.00 65.48 ? 27 ASP i C 1 +ATOM 42086 O O . ASP Z 8 27 ? -13.844 -5.593 25.609 1.00 55.90 ? 27 ASP i O 1 +ATOM 42087 C CB . ASP Z 8 27 ? -15.877 -4.462 23.453 1.00 76.17 ? 27 ASP i CB 1 +ATOM 42088 C CG . ASP Z 8 27 ? -14.557 -4.641 22.735 1.00 51.76 ? 27 ASP i CG 1 +ATOM 42089 O OD1 . ASP Z 8 27 ? -14.438 -5.631 21.995 1.00 50.73 ? 27 ASP i OD1 1 +ATOM 42090 O OD2 . ASP Z 8 27 ? -13.642 -3.826 22.961 1.00 54.32 ? 27 ASP i OD2 1 +ATOM 42091 N N . PRO Z 8 28 ? -15.213 -4.146 26.647 1.00 55.47 ? 28 PRO i N 1 +ATOM 42092 C CA . PRO Z 8 28 ? -14.151 -3.843 27.624 1.00 57.96 ? 28 PRO i CA 1 +ATOM 42093 C C . PRO Z 8 28 ? -13.693 -5.056 28.396 1.00 66.02 ? 28 PRO i C 1 +ATOM 42094 O O . PRO Z 8 28 ? -12.514 -5.121 28.767 1.00 61.85 ? 28 PRO i O 1 +ATOM 42095 C CB . PRO Z 8 28 ? -14.798 -2.800 28.539 1.00 61.08 ? 28 PRO i CB 1 +ATOM 42096 C CG . PRO Z 8 28 ? -15.769 -2.113 27.662 1.00 63.47 ? 28 PRO i CG 1 +ATOM 42097 C CD . PRO Z 8 28 ? -16.341 -3.207 26.791 1.00 63.59 ? 28 PRO i CD 1 +ATOM 42098 N N . ALA Z 8 29 ? -14.583 -6.036 28.614 1.00 60.13 ? 29 ALA i N 1 +ATOM 42099 C CA . ALA Z 8 29 ? -14.224 -7.257 29.333 1.00 67.57 ? 29 ALA i CA 1 +ATOM 42100 C C . ALA Z 8 29 ? -13.335 -8.183 28.518 1.00 73.52 ? 29 ALA i C 1 +ATOM 42101 O O . ALA Z 8 29 ? -12.728 -9.093 29.088 1.00 67.37 ? 29 ALA i O 1 +ATOM 42102 C CB . ALA Z 8 29 ? -15.481 -8.020 29.750 1.00 54.63 ? 29 ALA i CB 1 +ATOM 42103 N N . ARG Z 8 30 ? -13.260 -8.000 27.201 1.00 72.70 ? 30 ARG i N 1 +ATOM 42104 C CA . ARG Z 8 30 ? -12.455 -8.884 26.356 1.00 62.20 ? 30 ARG i CA 1 +ATOM 42105 C C . ARG Z 8 30 ? -11.017 -8.379 26.319 1.00 68.12 ? 30 ARG i C 1 +ATOM 42106 O O . ARG Z 8 30 ? -10.557 -7.750 25.368 1.00 64.73 ? 30 ARG i O 1 +ATOM 42107 C CB . ARG Z 8 30 ? -13.046 -8.984 24.963 1.00 62.89 ? 30 ARG i CB 1 +ATOM 42108 C CG . ARG Z 8 30 ? -14.428 -9.543 24.945 1.00 63.27 ? 30 ARG i CG 1 +ATOM 42109 C CD . ARG Z 8 30 ? -14.900 -9.687 23.519 1.00 62.39 ? 30 ARG i CD 1 +ATOM 42110 N NE . ARG Z 8 30 ? -16.346 -9.813 23.474 1.00 57.50 ? 30 ARG i NE 1 +ATOM 42111 C CZ . ARG Z 8 30 ? -16.987 -10.967 23.537 1.00 59.19 ? 30 ARG i CZ 1 +ATOM 42112 N NH1 . ARG Z 8 30 ? -16.332 -12.115 23.590 1.00 59.96 ? 30 ARG i NH1 1 +ATOM 42113 N NH2 . ARG Z 8 30 ? -18.316 -10.966 23.560 1.00 69.86 ? 30 ARG i NH2 1 +ATOM 42114 N N . ASN Z 8 31 ? -10.332 -8.638 27.423 1.00 58.67 ? 31 ASN i N 1 +ATOM 42115 C CA . ASN Z 8 31 ? -8.917 -8.341 27.590 1.00 58.66 ? 31 ASN i CA 1 +ATOM 42116 C C . ASN Z 8 31 ? -8.353 -9.436 28.479 1.00 65.18 ? 31 ASN i C 1 +ATOM 42117 O O . ASN Z 8 31 ? -9.116 -10.192 29.086 1.00 63.92 ? 31 ASN i O 1 +ATOM 42118 C CB . ASN Z 8 31 ? -8.705 -6.941 28.176 1.00 49.24 ? 31 ASN i CB 1 +ATOM 42119 C CG . ASN Z 8 31 ? -8.896 -6.889 29.696 1.00 76.01 ? 31 ASN i CG 1 +ATOM 42120 O OD1 . ASN Z 8 31 ? -7.944 -7.070 30.465 1.00 62.14 ? 31 ASN i OD1 1 +ATOM 42121 N ND2 . ASN Z 8 31 ? -10.124 -6.602 30.131 1.00 63.47 ? 31 ASN i ND2 1 +ATOM 42122 N N . PRO Z 8 32 ? -7.028 -9.576 28.555 1.00 63.57 ? 32 PRO i N 1 +ATOM 42123 C CA . PRO Z 8 32 ? -6.451 -10.672 29.349 1.00 70.97 ? 32 PRO i CA 1 +ATOM 42124 C C . PRO Z 8 32 ? -6.235 -10.387 30.835 1.00 72.30 ? 32 PRO i C 1 +ATOM 42125 O O . PRO Z 8 32 ? -5.683 -11.251 31.521 1.00 77.01 ? 32 PRO i O 1 +ATOM 42126 C CB . PRO Z 8 32 ? -5.111 -10.902 28.636 1.00 59.39 ? 32 PRO i CB 1 +ATOM 42127 C CG . PRO Z 8 32 ? -4.715 -9.540 28.200 1.00 58.93 ? 32 PRO i CG 1 +ATOM 42128 C CD . PRO Z 8 32 ? -5.976 -8.798 27.877 1.00 59.36 ? 32 PRO i CD 1 +ATOM 42129 N N . LYS Z 8 33 ? -6.647 -9.231 31.364 1.00 72.73 ? 33 LYS i N 1 +ATOM 42130 C CA . LYS Z 8 33 ? -6.493 -8.930 32.787 1.00 72.99 ? 33 LYS i CA 1 +ATOM 42131 C C . LYS Z 8 33 ? -7.850 -8.701 33.455 1.00 74.87 ? 33 LYS i C 1 +ATOM 42132 O O . LYS Z 8 33 ? -8.627 -9.644 33.612 1.00 99.22 ? 33 LYS i O 1 +ATOM 42133 C CB . LYS Z 8 33 ? -5.581 -7.713 32.991 1.00 82.22 ? 33 LYS i CB 1 +ATOM 42134 C CG . LYS Z 8 33 ? -4.131 -8.051 33.337 1.00 86.13 ? 33 LYS i CG 1 +ATOM 42135 C CD . LYS Z 8 33 ? -3.475 -8.863 32.228 1.00 95.02 ? 33 LYS i CD 1 +ATOM 42136 C CE . LYS Z 8 33 ? -2.659 -10.055 32.771 1.00 118.63 ? 33 LYS i CE 1 +ATOM 42137 N NZ . LYS Z 8 33 ? -1.226 -9.749 33.152 1.00 80.91 ? 33 LYS i NZ 1 +ATOM 42138 N N . ARG Z 8 34 ? -8.164 -7.466 33.849 1.00 89.95 ? 34 ARG i N 1 +ATOM 42139 C CA . ARG Z 8 34 ? -9.387 -7.204 34.619 1.00 89.24 ? 34 ARG i CA 1 +ATOM 42140 C C . ARG Z 8 34 ? -10.603 -7.324 33.706 1.00 108.18 ? 34 ARG i C 1 +ATOM 42141 O O . ARG Z 8 34 ? -10.865 -6.444 32.883 1.00 110.67 ? 34 ARG i O 1 +ATOM 42142 C CB . ARG Z 8 34 ? -9.315 -5.834 35.287 1.00 84.45 ? 34 ARG i CB 1 +ATOM 42143 C CG . ARG Z 8 34 ? -8.165 -5.705 36.294 1.00 103.55 ? 34 ARG i CG 1 +ATOM 42144 C CD . ARG Z 8 34 ? -8.074 -4.320 36.939 1.00 93.25 ? 34 ARG i CD 1 +ATOM 42145 N NE . ARG Z 8 34 ? -8.938 -4.182 38.107 1.00 130.39 ? 34 ARG i NE 1 +ATOM 42146 C CZ . ARG Z 8 34 ? -8.598 -4.538 39.341 1.00 154.27 ? 34 ARG i CZ 1 +ATOM 42147 N NH1 . ARG Z 8 34 ? -7.422 -5.087 39.604 1.00 138.14 ? 34 ARG i NH1 1 +ATOM 42148 N NH2 . ARG Z 8 34 ? -9.461 -4.340 40.336 1.00 140.50 ? 34 ARG i NH2 1 +ATOM 42149 N N . LYS Z 8 35 ? -11.353 -8.418 33.848 1.00 108.57 ? 35 LYS i N 1 +ATOM 42150 C CA . LYS Z 8 35 ? -12.525 -8.703 33.008 1.00 99.14 ? 35 LYS i CA 1 +ATOM 42151 C C . LYS Z 8 35 ? -13.837 -8.311 33.683 1.00 124.02 ? 35 LYS i C 1 +ATOM 42152 O O . LYS Z 8 35 ? -14.791 -9.100 33.710 1.00 119.62 ? 35 LYS i O 1 +ATOM 42153 C CB . LYS Z 8 35 ? -12.536 -10.179 32.623 1.00 81.96 ? 35 LYS i CB 1 +ATOM 42154 C CG . LYS Z 8 35 ? -11.193 -10.637 32.140 1.00 83.72 ? 35 LYS i CG 1 +ATOM 42155 C CD . LYS Z 8 35 ? -11.144 -12.106 31.886 1.00 85.44 ? 35 LYS i CD 1 +ATOM 42156 C CE . LYS Z 8 35 ? -9.697 -12.576 31.905 1.00 113.99 ? 35 LYS i CE 1 +ATOM 42157 N NZ . LYS Z 8 35 ? -9.023 -12.231 33.205 1.00 108.66 ? 35 LYS i NZ 1 +ATOM 42158 N N . ASP Z 8 36 ? -13.924 -7.079 34.198 1.00 114.61 ? 36 ASP i N 1 +ATOM 42159 C CA . ASP Z 8 36 ? -15.150 -6.564 34.789 1.00 127.87 ? 36 ASP i CA 1 +ATOM 42160 C C . ASP Z 8 36 ? -15.168 -5.043 34.755 1.00 161.01 ? 36 ASP i C 1 +ATOM 42161 O O . ASP Z 8 36 ? -14.787 -4.374 35.737 1.00 165.82 ? 36 ASP i O 1 +ATOM 42162 C CB . ASP Z 8 36 ? -15.295 -7.063 36.247 1.00 148.35 ? 36 ASP i CB 1 +ATOM 42163 C CG . ASP Z 8 36 ? -14.011 -6.950 37.047 1.00 156.32 ? 36 ASP i CG 1 +ATOM 42164 O OD1 . ASP Z 8 36 ? -13.762 -5.881 37.657 1.00 147.58 ? 36 ASP i OD1 1 +ATOM 42165 O OD2 . ASP Z 8 36 ? -13.238 -7.935 37.079 1.00 145.01 ? 36 ASP i OD2 1 +ATOM 42166 N N . LEU Z 8 37 ? -15.620 -4.454 33.640 1.00 140.75 ? 37 LEU i N 1 +ATOM 42167 C CA . LEU Z 8 37 ? -15.457 -3.023 33.400 1.00 154.00 ? 37 LEU i CA 1 +ATOM 42168 C C . LEU Z 8 37 ? -16.799 -2.361 33.025 1.00 155.01 ? 37 LEU i C 1 +ATOM 42169 O O . LEU Z 8 37 ? -16.978 -1.784 31.943 1.00 123.52 ? 37 LEU i O 1 +ATOM 42170 C CB . LEU Z 8 37 ? -14.354 -2.824 32.351 1.00 131.66 ? 37 LEU i CB 1 +ATOM 42171 C CG . LEU Z 8 37 ? -12.993 -3.294 32.889 1.00 97.13 ? 37 LEU i CG 1 +ATOM 42172 C CD1 . LEU Z 8 37 ? -12.001 -3.584 31.786 1.00 82.81 ? 37 LEU i CD1 1 +ATOM 42173 C CD2 . LEU Z 8 37 ? -12.426 -2.264 33.862 1.00 93.47 ? 37 LEU i CD2 1 +ATOM 42174 N N . GLU Z 8 38 ? -17.733 -2.405 33.984 1.00 138.86 ? 38 GLU i N 1 +ATOM 42175 C CA . GLU Z 8 38 ? -19.028 -1.725 33.886 1.00 127.27 ? 38 GLU i CA 1 +ATOM 42176 C C . GLU Z 8 38 ? -19.394 -0.968 35.183 1.00 125.39 ? 38 GLU i C 1 +ATOM 42177 O O . GLU Z 8 38 ? -18.535 -0.635 36.009 1.00 112.45 ? 38 GLU i O 1 +ATOM 42178 C CB . GLU Z 8 38 ? -20.140 -2.724 33.526 1.00 123.73 ? 38 GLU i CB 1 +ATOM 42179 C CG . GLU Z 8 38 ? -20.591 -3.638 34.670 1.00 141.61 ? 38 GLU i CG 1 +ATOM 42180 C CD . GLU Z 8 38 ? -21.832 -4.448 34.319 1.00 140.25 ? 38 GLU i CD 1 +ATOM 42181 O OE1 . GLU Z 8 38 ? -21.700 -5.462 33.593 1.00 143.79 ? 38 GLU i OE1 1 +ATOM 42182 O OE2 . GLU Z 8 38 ? -22.941 -4.065 34.761 1.00 124.27 ? 38 GLU i OE2 1 +ATOM 42183 O OXT . GLU Z 8 38 ? -20.562 -0.649 35.441 1.00 101.76 ? 38 GLU i OXT 1 +ATOM 42184 N N . MET AA 9 1 ? 34.076 35.736 42.219 1.00 97.94 ? 1 MET j N 1 +ATOM 42185 C CA . MET AA 9 1 ? 34.240 34.386 42.760 1.00 115.87 ? 1 MET j CA 1 +ATOM 42186 C C . MET AA 9 1 ? 33.739 33.294 41.807 1.00 126.02 ? 1 MET j C 1 +ATOM 42187 O O . MET AA 9 1 ? 32.630 33.374 41.257 1.00 92.00 ? 1 MET j O 1 +ATOM 42188 C CB . MET AA 9 1 ? 33.519 34.245 44.105 1.00 103.60 ? 1 MET j CB 1 +ATOM 42189 N N . SER AA 9 2 ? 34.569 32.258 41.653 1.00 134.83 ? 2 SER j N 1 +ATOM 42190 C CA . SER AA 9 2 ? 34.290 31.123 40.786 1.00 122.04 ? 2 SER j CA 1 +ATOM 42191 C C . SER AA 9 2 ? 33.210 30.196 41.336 1.00 133.69 ? 2 SER j C 1 +ATOM 42192 O O . SER AA 9 2 ? 32.952 29.155 40.716 1.00 120.95 ? 2 SER j O 1 +ATOM 42193 C CB . SER AA 9 2 ? 35.575 30.322 40.552 1.00 105.55 ? 2 SER j CB 1 +ATOM 42194 O OG . SER AA 9 2 ? 36.606 31.148 40.044 1.00 118.42 ? 2 SER j OG 1 +ATOM 42195 N N . GLU AA 9 3 ? 32.581 30.551 42.457 1.00 171.72 ? 3 GLU j N 1 +ATOM 42196 C CA . GLU AA 9 3 ? 31.646 29.671 43.139 1.00 161.09 ? 3 GLU j CA 1 +ATOM 42197 C C . GLU AA 9 3 ? 30.387 29.439 42.298 1.00 151.80 ? 3 GLU j C 1 +ATOM 42198 O O . GLU AA 9 3 ? 29.710 30.397 41.910 1.00 141.38 ? 3 GLU j O 1 +ATOM 42199 C CB . GLU AA 9 3 ? 31.281 30.281 44.493 1.00 155.03 ? 3 GLU j CB 1 +ATOM 42200 C CG . GLU AA 9 3 ? 30.277 29.486 45.296 1.00 162.35 ? 3 GLU j CG 1 +ATOM 42201 C CD . GLU AA 9 3 ? 30.901 28.288 45.972 1.00 180.74 ? 3 GLU j CD 1 +ATOM 42202 O OE1 . GLU AA 9 3 ? 32.100 28.358 46.323 1.00 187.58 ? 3 GLU j OE1 1 +ATOM 42203 O OE2 . GLU AA 9 3 ? 30.192 27.278 46.152 1.00 175.33 ? 3 GLU j OE2 1 +ATOM 42204 N N . GLY AA 9 4 ? 30.077 28.172 42.016 1.00 132.09 ? 4 GLY j N 1 +ATOM 42205 C CA . GLY AA 9 4 ? 28.912 27.830 41.218 1.00 118.31 ? 4 GLY j CA 1 +ATOM 42206 C C . GLY AA 9 4 ? 27.651 27.700 42.055 1.00 113.72 ? 4 GLY j C 1 +ATOM 42207 O O . GLY AA 9 4 ? 27.666 27.098 43.131 1.00 151.15 ? 4 GLY j O 1 +ATOM 42208 N N . GLY AA 9 5 ? 26.554 28.247 41.542 1.00 113.49 ? 5 GLY j N 1 +ATOM 42209 C CA . GLY AA 9 5 ? 25.273 28.266 42.234 1.00 86.46 ? 5 GLY j CA 1 +ATOM 42210 C C . GLY AA 9 5 ? 24.783 29.647 42.631 1.00 115.57 ? 5 GLY j C 1 +ATOM 42211 O O . GLY AA 9 5 ? 23.604 29.784 42.995 1.00 98.00 ? 5 GLY j O 1 +ATOM 42212 N N . ARG AA 9 6 ? 25.630 30.680 42.547 1.00 113.40 ? 6 ARG j N 1 +ATOM 42213 C CA . ARG AA 9 6 ? 25.281 31.997 43.079 1.00 114.05 ? 6 ARG j CA 1 +ATOM 42214 C C . ARG AA 9 6 ? 24.047 32.585 42.397 1.00 114.22 ? 6 ARG j C 1 +ATOM 42215 O O . ARG AA 9 6 ? 23.207 33.210 43.057 1.00 115.83 ? 6 ARG j O 1 +ATOM 42216 C CB . ARG AA 9 6 ? 26.469 32.952 42.939 1.00 112.71 ? 6 ARG j CB 1 +ATOM 42217 C CG . ARG AA 9 6 ? 27.779 32.445 43.539 1.00 133.55 ? 6 ARG j CG 1 +ATOM 42218 C CD . ARG AA 9 6 ? 27.692 32.240 45.052 1.00 130.80 ? 6 ARG j CD 1 +ATOM 42219 N NE . ARG AA 9 6 ? 26.940 33.304 45.706 1.00 148.47 ? 6 ARG j NE 1 +ATOM 42220 C CZ . ARG AA 9 6 ? 25.740 33.147 46.252 1.00 152.54 ? 6 ARG j CZ 1 +ATOM 42221 N NH1 . ARG AA 9 6 ? 25.146 31.964 46.290 1.00 137.21 ? 6 ARG j NH1 1 +ATOM 42222 N NH2 . ARG AA 9 6 ? 25.119 34.204 46.769 1.00 162.91 ? 6 ARG j NH2 1 +ATOM 42223 N N . ILE AA 9 7 ? 23.920 32.418 41.088 1.00 116.54 ? 7 ILE j N 1 +ATOM 42224 C CA . ILE AA 9 7 ? 22.757 32.899 40.343 1.00 97.97 ? 7 ILE j CA 1 +ATOM 42225 C C . ILE AA 9 7 ? 21.881 31.698 40.013 1.00 80.96 ? 7 ILE j C 1 +ATOM 42226 O O . ILE AA 9 7 ? 22.381 30.734 39.423 1.00 101.90 ? 7 ILE j O 1 +ATOM 42227 C CB . ILE AA 9 7 ? 23.162 33.652 39.064 1.00 95.64 ? 7 ILE j CB 1 +ATOM 42228 C CG1 . ILE AA 9 7 ? 24.065 34.836 39.411 1.00 98.55 ? 7 ILE j CG1 1 +ATOM 42229 C CG2 . ILE AA 9 7 ? 21.924 34.151 38.335 1.00 95.70 ? 7 ILE j CG2 1 +ATOM 42230 C CD1 . ILE AA 9 7 ? 25.550 34.528 39.328 1.00 105.88 ? 7 ILE j CD1 1 +ATOM 42231 N N . PRO AA 9 8 ? 20.600 31.705 40.379 1.00 80.66 ? 8 PRO j N 1 +ATOM 42232 C CA . PRO AA 9 8 ? 19.761 30.520 40.152 1.00 75.87 ? 8 PRO j CA 1 +ATOM 42233 C C . PRO AA 9 8 ? 19.565 30.250 38.663 1.00 100.02 ? 8 PRO j C 1 +ATOM 42234 O O . PRO AA 9 8 ? 19.434 31.170 37.850 1.00 85.12 ? 8 PRO j O 1 +ATOM 42235 C CB . PRO AA 9 8 ? 18.430 30.883 40.829 1.00 80.39 ? 8 PRO j CB 1 +ATOM 42236 C CG . PRO AA 9 8 ? 18.712 32.131 41.648 1.00 82.77 ? 8 PRO j CG 1 +ATOM 42237 C CD . PRO AA 9 8 ? 19.837 32.829 40.952 1.00 74.69 ? 8 PRO j CD 1 +ATOM 42238 N N . LEU AA 9 9 ? 19.538 28.959 38.314 1.00 82.27 ? 9 LEU j N 1 +ATOM 42239 C CA . LEU AA 9 9 ? 19.463 28.565 36.911 1.00 81.98 ? 9 LEU j CA 1 +ATOM 42240 C C . LEU AA 9 9 ? 18.145 28.981 36.265 1.00 80.69 ? 9 LEU j C 1 +ATOM 42241 O O . LEU AA 9 9 ? 18.126 29.337 35.081 1.00 76.94 ? 9 LEU j O 1 +ATOM 42242 C CB . LEU AA 9 9 ? 19.671 27.057 36.784 1.00 78.03 ? 9 LEU j CB 1 +ATOM 42243 C CG . LEU AA 9 9 ? 20.354 26.528 35.521 1.00 90.67 ? 9 LEU j CG 1 +ATOM 42244 C CD1 . LEU AA 9 9 ? 21.079 27.623 34.748 1.00 75.57 ? 9 LEU j CD1 1 +ATOM 42245 C CD2 . LEU AA 9 9 ? 21.330 25.425 35.904 1.00 91.88 ? 9 LEU j CD2 1 +ATOM 42246 N N . TRP AA 9 10 ? 17.041 28.975 37.019 1.00 73.55 ? 10 TRP j N 1 +ATOM 42247 C CA . TRP AA 9 10 ? 15.771 29.370 36.418 1.00 77.15 ? 10 TRP j CA 1 +ATOM 42248 C C . TRP AA 9 10 ? 15.772 30.843 36.013 1.00 89.60 ? 10 TRP j C 1 +ATOM 42249 O O . TRP AA 9 10 ? 15.097 31.216 35.045 1.00 81.66 ? 10 TRP j O 1 +ATOM 42250 C CB . TRP AA 9 10 ? 14.604 29.055 37.359 1.00 71.51 ? 10 TRP j CB 1 +ATOM 42251 C CG . TRP AA 9 10 ? 14.409 30.005 38.504 1.00 97.75 ? 10 TRP j CG 1 +ATOM 42252 C CD1 . TRP AA 9 10 ? 14.957 29.906 39.758 1.00 81.21 ? 10 TRP j CD1 1 +ATOM 42253 C CD2 . TRP AA 9 10 ? 13.582 31.180 38.522 1.00 93.63 ? 10 TRP j CD2 1 +ATOM 42254 N NE1 . TRP AA 9 10 ? 14.531 30.953 40.541 1.00 81.52 ? 10 TRP j NE1 1 +ATOM 42255 C CE2 . TRP AA 9 10 ? 13.686 31.746 39.811 1.00 92.97 ? 10 TRP j CE2 1 +ATOM 42256 C CE3 . TRP AA 9 10 ? 12.768 31.807 37.576 1.00 89.30 ? 10 TRP j CE3 1 +ATOM 42257 C CZ2 . TRP AA 9 10 ? 13.010 32.909 40.172 1.00 86.28 ? 10 TRP j CZ2 1 +ATOM 42258 C CZ3 . TRP AA 9 10 ? 12.095 32.963 37.940 1.00 87.81 ? 10 TRP j CZ3 1 +ATOM 42259 C CH2 . TRP AA 9 10 ? 12.221 33.501 39.225 1.00 95.77 ? 10 TRP j CH2 1 +ATOM 42260 N N . ILE AA 9 11 ? 16.524 31.690 36.723 1.00 89.74 ? 11 ILE j N 1 +ATOM 42261 C CA . ILE AA 9 11 ? 16.660 33.084 36.295 1.00 94.32 ? 11 ILE j CA 1 +ATOM 42262 C C . ILE AA 9 11 ? 17.542 33.178 35.048 1.00 87.01 ? 11 ILE j C 1 +ATOM 42263 O O . ILE AA 9 11 ? 17.240 33.937 34.117 1.00 82.38 ? 11 ILE j O 1 +ATOM 42264 C CB . ILE AA 9 11 ? 17.195 33.959 37.452 1.00 75.37 ? 11 ILE j CB 1 +ATOM 42265 C CG1 . ILE AA 9 11 ? 16.198 33.989 38.615 1.00 90.81 ? 11 ILE j CG1 1 +ATOM 42266 C CG2 . ILE AA 9 11 ? 17.419 35.382 37.004 1.00 71.24 ? 11 ILE j CG2 1 +ATOM 42267 C CD1 . ILE AA 9 11 ? 16.774 34.579 39.881 1.00 85.51 ? 11 ILE j CD1 1 +ATOM 42268 N N . VAL AA 9 12 ? 18.642 32.413 35.007 1.00 67.78 ? 12 VAL j N 1 +ATOM 42269 C CA . VAL AA 9 12 ? 19.529 32.437 33.844 1.00 80.04 ? 12 VAL j CA 1 +ATOM 42270 C C . VAL AA 9 12 ? 18.780 31.966 32.605 1.00 82.64 ? 12 VAL j C 1 +ATOM 42271 O O . VAL AA 9 12 ? 18.938 32.522 31.513 1.00 78.00 ? 12 VAL j O 1 +ATOM 42272 C CB . VAL AA 9 12 ? 20.783 31.576 34.099 1.00 87.76 ? 12 VAL j CB 1 +ATOM 42273 C CG1 . VAL AA 9 12 ? 21.701 31.573 32.877 1.00 83.02 ? 12 VAL j CG1 1 +ATOM 42274 C CG2 . VAL AA 9 12 ? 21.535 32.069 35.305 1.00 88.86 ? 12 VAL j CG2 1 +ATOM 42275 N N . ALA AA 9 13 ? 17.944 30.938 32.763 1.00 75.19 ? 13 ALA j N 1 +ATOM 42276 C CA . ALA AA 9 13 ? 17.174 30.419 31.643 1.00 75.34 ? 13 ALA j CA 1 +ATOM 42277 C C . ALA AA 9 13 ? 16.129 31.422 31.180 1.00 76.84 ? 13 ALA j C 1 +ATOM 42278 O O . ALA AA 9 13 ? 15.934 31.601 29.972 1.00 72.25 ? 13 ALA j O 1 +ATOM 42279 C CB . ALA AA 9 13 ? 16.512 29.092 32.031 1.00 77.12 ? 13 ALA j CB 1 +ATOM 42280 N N . THR AA 9 14 ? 15.446 32.087 32.118 1.00 71.60 ? 14 THR j N 1 +ATOM 42281 C CA . THR AA 9 14 ? 14.397 33.027 31.730 1.00 71.21 ? 14 THR j CA 1 +ATOM 42282 C C . THR AA 9 14 ? 14.990 34.251 31.044 1.00 85.44 ? 14 THR j C 1 +ATOM 42283 O O . THR AA 9 14 ? 14.421 34.767 30.073 1.00 79.46 ? 14 THR j O 1 +ATOM 42284 C CB . THR AA 9 14 ? 13.570 33.441 32.951 1.00 77.11 ? 14 THR j CB 1 +ATOM 42285 O OG1 . THR AA 9 14 ? 13.067 32.275 33.619 1.00 81.93 ? 14 THR j OG1 1 +ATOM 42286 C CG2 . THR AA 9 14 ? 12.391 34.325 32.545 1.00 70.07 ? 14 THR j CG2 1 +ATOM 42287 N N . VAL AA 9 15 ? 16.142 34.721 31.524 1.00 83.62 ? 15 VAL j N 1 +ATOM 42288 C CA . VAL AA 9 15 ? 16.758 35.897 30.922 1.00 84.88 ? 15 VAL j CA 1 +ATOM 42289 C C . VAL AA 9 15 ? 17.339 35.558 29.556 1.00 85.02 ? 15 VAL j C 1 +ATOM 42290 O O . VAL AA 9 15 ? 17.213 36.341 28.608 1.00 80.98 ? 15 VAL j O 1 +ATOM 42291 C CB . VAL AA 9 15 ? 17.818 36.490 31.868 1.00 87.40 ? 15 VAL j CB 1 +ATOM 42292 C CG1 . VAL AA 9 15 ? 18.665 37.517 31.139 1.00 74.70 ? 15 VAL j CG1 1 +ATOM 42293 C CG2 . VAL AA 9 15 ? 17.135 37.113 33.075 1.00 70.88 ? 15 VAL j CG2 1 +ATOM 42294 N N . ALA AA 9 16 ? 17.986 34.394 29.429 1.00 76.40 ? 16 ALA j N 1 +ATOM 42295 C CA . ALA AA 9 16 ? 18.490 33.974 28.123 1.00 87.34 ? 16 ALA j CA 1 +ATOM 42296 C C . ALA AA 9 16 ? 17.350 33.791 27.126 1.00 82.14 ? 16 ALA j C 1 +ATOM 42297 O O . ALA AA 9 16 ? 17.458 34.204 25.966 1.00 85.37 ? 16 ALA j O 1 +ATOM 42298 C CB . ALA AA 9 16 ? 19.297 32.682 28.247 1.00 70.73 ? 16 ALA j CB 1 +ATOM 42299 N N . GLY AA 9 17 ? 16.245 33.189 27.568 1.00 79.51 ? 17 GLY j N 1 +ATOM 42300 C CA . GLY AA 9 17 ? 15.118 32.982 26.676 1.00 75.15 ? 17 GLY j CA 1 +ATOM 42301 C C . GLY AA 9 17 ? 14.562 34.282 26.129 1.00 83.57 ? 17 GLY j C 1 +ATOM 42302 O O . GLY AA 9 17 ? 14.355 34.422 24.921 1.00 79.68 ? 17 GLY j O 1 +ATOM 42303 N N . MET AA 9 18 ? 14.310 35.251 27.011 1.00 76.93 ? 18 MET j N 1 +ATOM 42304 C CA . MET AA 9 18 ? 13.807 36.544 26.556 1.00 89.97 ? 18 MET j CA 1 +ATOM 42305 C C . MET AA 9 18 ? 14.780 37.196 25.583 1.00 76.37 ? 18 MET j C 1 +ATOM 42306 O O . MET AA 9 18 ? 14.362 37.843 24.614 1.00 73.50 ? 18 MET j O 1 +ATOM 42307 C CB . MET AA 9 18 ? 13.530 37.461 27.754 1.00 77.06 ? 18 MET j CB 1 +ATOM 42308 C CG . MET AA 9 18 ? 12.449 36.911 28.692 1.00 102.37 ? 18 MET j CG 1 +ATOM 42309 S SD . MET AA 9 18 ? 12.168 37.844 30.223 1.00 111.01 ? 18 MET j SD 1 +ATOM 42310 C CE . MET AA 9 18 ? 11.473 39.362 29.562 1.00 141.18 ? 18 MET j CE 1 +ATOM 42311 N N . GLY AA 9 19 ? 16.081 37.024 25.815 1.00 77.60 ? 19 GLY j N 1 +ATOM 42312 C CA . GLY AA 9 19 ? 17.061 37.544 24.877 1.00 76.57 ? 19 GLY j CA 1 +ATOM 42313 C C . GLY AA 9 19 ? 16.880 36.966 23.487 1.00 91.17 ? 19 GLY j C 1 +ATOM 42314 O O . GLY AA 9 19 ? 16.917 37.688 22.487 1.00 81.27 ? 19 GLY j O 1 +ATOM 42315 N N . VAL AA 9 20 ? 16.667 35.653 23.411 1.00 78.70 ? 20 VAL j N 1 +ATOM 42316 C CA . VAL AA 9 20 ? 16.435 35.004 22.124 1.00 78.72 ? 20 VAL j CA 1 +ATOM 42317 C C . VAL AA 9 20 ? 15.173 35.557 21.478 1.00 79.92 ? 20 VAL j C 1 +ATOM 42318 O O . VAL AA 9 20 ? 15.152 35.873 20.285 1.00 70.98 ? 20 VAL j O 1 +ATOM 42319 C CB . VAL AA 9 20 ? 16.353 33.480 22.307 1.00 81.17 ? 20 VAL j CB 1 +ATOM 42320 C CG1 . VAL AA 9 20 ? 15.752 32.826 21.070 1.00 83.74 ? 20 VAL j CG1 1 +ATOM 42321 C CG2 . VAL AA 9 20 ? 17.727 32.920 22.609 1.00 74.14 ? 20 VAL j CG2 1 +ATOM 42322 N N . ILE AA 9 21 ? 14.107 35.704 22.267 1.00 74.11 ? 21 ILE j N 1 +ATOM 42323 C CA . ILE AA 9 21 ? 12.843 36.209 21.737 1.00 73.93 ? 21 ILE j CA 1 +ATOM 42324 C C . ILE AA 9 21 ? 13.014 37.610 21.148 1.00 81.09 ? 21 ILE j C 1 +ATOM 42325 O O . ILE AA 9 21 ? 12.392 37.948 20.135 1.00 77.71 ? 21 ILE j O 1 +ATOM 42326 C CB . ILE AA 9 21 ? 11.769 36.177 22.840 1.00 80.22 ? 21 ILE j CB 1 +ATOM 42327 C CG1 . ILE AA 9 21 ? 11.464 34.733 23.241 1.00 90.88 ? 21 ILE j CG1 1 +ATOM 42328 C CG2 . ILE AA 9 21 ? 10.497 36.879 22.392 1.00 78.65 ? 21 ILE j CG2 1 +ATOM 42329 C CD1 . ILE AA 9 21 ? 10.525 34.621 24.423 1.00 112.32 ? 21 ILE j CD1 1 +ATOM 42330 N N . VAL AA 9 22 ? 13.860 38.446 21.760 1.00 74.42 ? 22 VAL j N 1 +ATOM 42331 C CA . VAL AA 9 22 ? 14.012 39.817 21.279 1.00 69.52 ? 22 VAL j CA 1 +ATOM 42332 C C . VAL AA 9 22 ? 14.773 39.843 19.957 1.00 77.02 ? 22 VAL j C 1 +ATOM 42333 O O . VAL AA 9 22 ? 14.399 40.558 19.022 1.00 67.36 ? 22 VAL j O 1 +ATOM 42334 C CB . VAL AA 9 22 ? 14.698 40.703 22.340 1.00 71.94 ? 22 VAL j CB 1 +ATOM 42335 C CG1 . VAL AA 9 22 ? 15.263 41.970 21.701 1.00 64.91 ? 22 VAL j CG1 1 +ATOM 42336 C CG2 . VAL AA 9 22 ? 13.710 41.082 23.442 1.00 62.61 ? 22 VAL j CG2 1 +ATOM 42337 N N . ILE AA 9 23 ? 15.866 39.085 19.863 1.00 67.87 ? 23 ILE j N 1 +ATOM 42338 C CA . ILE AA 9 23 ? 16.684 39.148 18.659 1.00 71.41 ? 23 ILE j CA 1 +ATOM 42339 C C . ILE AA 9 23 ? 15.934 38.535 17.473 1.00 80.95 ? 23 ILE j C 1 +ATOM 42340 O O . ILE AA 9 23 ? 15.931 39.084 16.362 1.00 69.23 ? 23 ILE j O 1 +ATOM 42341 C CB . ILE AA 9 23 ? 18.052 38.476 18.918 1.00 82.37 ? 23 ILE j CB 1 +ATOM 42342 C CG1 . ILE AA 9 23 ? 18.916 38.473 17.655 1.00 94.11 ? 23 ILE j CG1 1 +ATOM 42343 C CG2 . ILE AA 9 23 ? 17.887 37.044 19.420 1.00 92.98 ? 23 ILE j CG2 1 +ATOM 42344 C CD1 . ILE AA 9 23 ? 19.361 39.849 17.230 1.00 88.26 ? 23 ILE j CD1 1 +ATOM 42345 N N . VAL AA 9 24 ? 15.250 37.417 17.699 1.00 68.81 ? 24 VAL j N 1 +ATOM 42346 C CA . VAL AA 9 24 ? 14.470 36.791 16.641 1.00 72.80 ? 24 VAL j CA 1 +ATOM 42347 C C . VAL AA 9 24 ? 13.297 37.677 16.244 1.00 72.15 ? 24 VAL j C 1 +ATOM 42348 O O . VAL AA 9 24 ? 12.971 37.804 15.051 1.00 66.78 ? 24 VAL j O 1 +ATOM 42349 C CB . VAL AA 9 24 ? 14.015 35.396 17.100 1.00 75.18 ? 24 VAL j CB 1 +ATOM 42350 C CG1 . VAL AA 9 24 ? 12.988 34.805 16.136 1.00 84.58 ? 24 VAL j CG1 1 +ATOM 42351 C CG2 . VAL AA 9 24 ? 15.225 34.501 17.206 1.00 70.76 ? 24 VAL j CG2 1 +ATOM 42352 N N . GLY AA 9 25 ? 12.648 38.308 17.230 1.00 66.46 ? 25 GLY j N 1 +ATOM 42353 C CA . GLY AA 9 25 ? 11.612 39.279 16.912 1.00 59.59 ? 25 GLY j CA 1 +ATOM 42354 C C . GLY AA 9 25 ? 12.137 40.408 16.052 1.00 68.21 ? 25 GLY j C 1 +ATOM 42355 O O . GLY AA 9 25 ? 11.449 40.891 15.146 1.00 67.46 ? 25 GLY j O 1 +ATOM 42356 N N . LEU AA 9 26 ? 13.378 40.821 16.299 1.00 56.84 ? 26 LEU j N 1 +ATOM 42357 C CA . LEU AA 9 26 ? 13.976 41.866 15.479 1.00 66.54 ? 26 LEU j CA 1 +ATOM 42358 C C . LEU AA 9 26 ? 14.116 41.411 14.023 1.00 68.13 ? 26 LEU j C 1 +ATOM 42359 O O . LEU AA 9 26 ? 13.876 42.191 13.092 1.00 60.28 ? 26 LEU j O 1 +ATOM 42360 C CB . LEU AA 9 26 ? 15.325 42.266 16.079 1.00 58.07 ? 26 LEU j CB 1 +ATOM 42361 C CG . LEU AA 9 26 ? 16.117 43.327 15.334 1.00 71.00 ? 26 LEU j CG 1 +ATOM 42362 C CD1 . LEU AA 9 26 ? 15.319 44.606 15.304 1.00 75.17 ? 26 LEU j CD1 1 +ATOM 42363 C CD2 . LEU AA 9 26 ? 17.470 43.528 15.970 1.00 70.42 ? 26 LEU j CD2 1 +ATOM 42364 N N . PHE AA 9 27 ? 14.466 40.134 13.811 1.00 66.19 ? 27 PHE j N 1 +ATOM 42365 C CA . PHE AA 9 27 ? 14.609 39.608 12.449 1.00 62.67 ? 27 PHE j CA 1 +ATOM 42366 C C . PHE AA 9 27 ? 13.270 39.579 11.726 1.00 55.76 ? 27 PHE j C 1 +ATOM 42367 O O . PHE AA 9 27 ? 13.189 39.921 10.540 1.00 62.74 ? 27 PHE j O 1 +ATOM 42368 C CB . PHE AA 9 27 ? 15.228 38.213 12.486 1.00 57.27 ? 27 PHE j CB 1 +ATOM 42369 C CG . PHE AA 9 27 ? 16.621 38.181 13.047 1.00 72.42 ? 27 PHE j CG 1 +ATOM 42370 C CD1 . PHE AA 9 27 ? 17.376 39.344 13.151 1.00 73.60 ? 27 PHE j CD1 1 +ATOM 42371 C CD2 . PHE AA 9 27 ? 17.183 36.993 13.470 1.00 65.94 ? 27 PHE j CD2 1 +ATOM 42372 C CE1 . PHE AA 9 27 ? 18.670 39.313 13.681 1.00 71.09 ? 27 PHE j CE1 1 +ATOM 42373 C CE2 . PHE AA 9 27 ? 18.472 36.958 13.994 1.00 71.60 ? 27 PHE j CE2 1 +ATOM 42374 C CZ . PHE AA 9 27 ? 19.216 38.115 14.095 1.00 65.70 ? 27 PHE j CZ 1 +ATOM 42375 N N . PHE AA 9 28 ? 12.201 39.209 12.428 1.00 60.85 ? 28 PHE j N 1 +ATOM 42376 C CA . PHE AA 9 28 ? 10.893 39.205 11.793 1.00 59.14 ? 28 PHE j CA 1 +ATOM 42377 C C . PHE AA 9 28 ? 10.412 40.619 11.491 1.00 73.08 ? 28 PHE j C 1 +ATOM 42378 O O . PHE AA 9 28 ? 9.802 40.855 10.442 1.00 71.15 ? 28 PHE j O 1 +ATOM 42379 C CB . PHE AA 9 28 ? 9.900 38.433 12.654 1.00 58.67 ? 28 PHE j CB 1 +ATOM 42380 C CG . PHE AA 9 28 ? 9.914 36.951 12.375 1.00 77.48 ? 28 PHE j CG 1 +ATOM 42381 C CD1 . PHE AA 9 28 ? 9.300 36.449 11.230 1.00 66.53 ? 28 PHE j CD1 1 +ATOM 42382 C CD2 . PHE AA 9 28 ? 10.578 36.065 13.220 1.00 67.44 ? 28 PHE j CD2 1 +ATOM 42383 C CE1 . PHE AA 9 28 ? 9.318 35.075 10.953 1.00 79.19 ? 28 PHE j CE1 1 +ATOM 42384 C CE2 . PHE AA 9 28 ? 10.601 34.694 12.948 1.00 77.05 ? 28 PHE j CE2 1 +ATOM 42385 C CZ . PHE AA 9 28 ? 9.973 34.201 11.807 1.00 69.19 ? 28 PHE j CZ 1 +ATOM 42386 N N . TYR AA 9 29 ? 10.696 41.581 12.374 1.00 68.41 ? 29 TYR j N 1 +ATOM 42387 C CA . TYR AA 9 29 ? 10.474 42.976 12.012 1.00 52.60 ? 29 TYR j CA 1 +ATOM 42388 C C . TYR AA 9 29 ? 11.185 43.309 10.700 1.00 62.00 ? 29 TYR j C 1 +ATOM 42389 O O . TYR AA 9 29 ? 10.605 43.933 9.803 1.00 56.56 ? 29 TYR j O 1 +ATOM 42390 C CB . TYR AA 9 29 ? 10.931 43.910 13.154 1.00 68.00 ? 29 TYR j CB 1 +ATOM 42391 C CG . TYR AA 9 29 ? 11.096 45.347 12.715 1.00 65.76 ? 29 TYR j CG 1 +ATOM 42392 C CD1 . TYR AA 9 29 ? 10.002 46.188 12.604 1.00 64.41 ? 29 TYR j CD1 1 +ATOM 42393 C CD2 . TYR AA 9 29 ? 12.353 45.839 12.356 1.00 66.22 ? 29 TYR j CD2 1 +ATOM 42394 C CE1 . TYR AA 9 29 ? 10.155 47.500 12.156 1.00 66.44 ? 29 TYR j CE1 1 +ATOM 42395 C CE2 . TYR AA 9 29 ? 12.524 47.120 11.913 1.00 67.82 ? 29 TYR j CE2 1 +ATOM 42396 C CZ . TYR AA 9 29 ? 11.430 47.954 11.817 1.00 76.11 ? 29 TYR j CZ 1 +ATOM 42397 O OH . TYR AA 9 29 ? 11.625 49.232 11.372 1.00 74.56 ? 29 TYR j OH 1 +ATOM 42398 N N . GLY AA 9 30 ? 12.441 42.880 10.554 1.00 58.51 ? 30 GLY j N 1 +ATOM 42399 C CA . GLY AA 9 30 ? 13.190 43.271 9.369 1.00 59.15 ? 30 GLY j CA 1 +ATOM 42400 C C . GLY AA 9 30 ? 12.630 42.705 8.079 1.00 65.57 ? 30 GLY j C 1 +ATOM 42401 O O . GLY AA 9 30 ? 12.969 43.195 6.998 1.00 65.24 ? 30 GLY j O 1 +ATOM 42402 N N . ALA AA 9 31 ? 11.790 41.670 8.177 1.00 66.84 ? 31 ALA j N 1 +ATOM 42403 C CA . ALA AA 9 31 ? 11.100 41.107 7.025 1.00 62.88 ? 31 ALA j CA 1 +ATOM 42404 C C . ALA AA 9 31 ? 10.047 42.050 6.468 1.00 64.60 ? 31 ALA j C 1 +ATOM 42405 O O . ALA AA 9 31 ? 9.624 41.881 5.322 1.00 59.66 ? 31 ALA j O 1 +ATOM 42406 C CB . ALA AA 9 31 ? 10.446 39.776 7.412 1.00 56.13 ? 31 ALA j CB 1 +ATOM 42407 N N . TYR AA 9 32 ? 9.608 43.032 7.254 1.00 65.80 ? 32 TYR j N 1 +ATOM 42408 C CA . TYR AA 9 32 ? 8.558 43.939 6.830 1.00 61.21 ? 32 TYR j CA 1 +ATOM 42409 C C . TYR AA 9 32 ? 9.043 45.356 6.611 1.00 57.21 ? 32 TYR j C 1 +ATOM 42410 O O . TYR AA 9 32 ? 8.230 46.219 6.280 1.00 66.84 ? 32 TYR j O 1 +ATOM 42411 C CB . TYR AA 9 32 ? 7.417 43.941 7.836 1.00 58.92 ? 32 TYR j CB 1 +ATOM 42412 C CG . TYR AA 9 32 ? 6.726 42.614 7.924 1.00 59.51 ? 32 TYR j CG 1 +ATOM 42413 C CD1 . TYR AA 9 32 ? 5.651 42.321 7.100 1.00 62.42 ? 32 TYR j CD1 1 +ATOM 42414 C CD2 . TYR AA 9 32 ? 7.149 41.648 8.829 1.00 69.63 ? 32 TYR j CD2 1 +ATOM 42415 C CE1 . TYR AA 9 32 ? 5.001 41.096 7.174 1.00 63.71 ? 32 TYR j CE1 1 +ATOM 42416 C CE2 . TYR AA 9 32 ? 6.511 40.410 8.916 1.00 76.33 ? 32 TYR j CE2 1 +ATOM 42417 C CZ . TYR AA 9 32 ? 5.436 40.141 8.081 1.00 73.14 ? 32 TYR j CZ 1 +ATOM 42418 O OH . TYR AA 9 32 ? 4.791 38.924 8.153 1.00 59.89 ? 32 TYR j OH 1 +ATOM 42419 N N . ALA AA 9 33 ? 10.348 45.602 6.705 1.00 59.98 ? 33 ALA j N 1 +ATOM 42420 C CA . ALA AA 9 33 ? 10.872 46.961 6.673 1.00 62.28 ? 33 ALA j CA 1 +ATOM 42421 C C . ALA AA 9 33 ? 12.274 46.953 6.090 1.00 56.51 ? 33 ALA j C 1 +ATOM 42422 O O . ALA AA 9 33 ? 13.078 46.074 6.406 1.00 68.11 ? 33 ALA j O 1 +ATOM 42423 C CB . ALA AA 9 33 ? 10.896 47.567 8.086 1.00 52.18 ? 33 ALA j CB 1 +ATOM 42424 N N . GLY AA 9 34 ? 12.576 47.945 5.261 1.00 59.88 ? 34 GLY j N 1 +ATOM 42425 C CA . GLY AA 9 34 ? 13.936 48.020 4.764 1.00 64.50 ? 34 GLY j CA 1 +ATOM 42426 C C . GLY AA 9 34 ? 14.186 47.015 3.651 1.00 70.24 ? 34 GLY j C 1 +ATOM 42427 O O . GLY AA 9 34 ? 13.273 46.602 2.928 1.00 63.43 ? 34 GLY j O 1 +ATOM 42428 N N . LEU AA 9 35 ? 15.450 46.624 3.509 1.00 64.42 ? 35 LEU j N 1 +ATOM 42429 C CA . LEU AA 9 35 ? 15.820 45.615 2.524 1.00 72.39 ? 35 LEU j CA 1 +ATOM 42430 C C . LEU AA 9 35 ? 15.004 44.335 2.707 1.00 68.13 ? 35 LEU j C 1 +ATOM 42431 O O . LEU AA 9 35 ? 14.758 43.888 3.829 1.00 59.48 ? 35 LEU j O 1 +ATOM 42432 C CB . LEU AA 9 35 ? 17.301 45.278 2.638 1.00 64.60 ? 35 LEU j CB 1 +ATOM 42433 C CG . LEU AA 9 35 ? 18.286 46.394 2.347 1.00 72.87 ? 35 LEU j CG 1 +ATOM 42434 C CD1 . LEU AA 9 35 ? 19.679 45.806 2.251 1.00 64.91 ? 35 LEU j CD1 1 +ATOM 42435 C CD2 . LEU AA 9 35 ? 17.890 47.132 1.072 1.00 72.29 ? 35 LEU j CD2 1 +ATOM 42436 N N . GLY AA 9 36 ? 14.580 43.750 1.586 1.00 59.55 ? 36 GLY j N 1 +ATOM 42437 C CA . GLY AA 9 36 ? 13.891 42.483 1.606 1.00 51.69 ? 36 GLY j CA 1 +ATOM 42438 C C . GLY AA 9 36 ? 12.409 42.556 1.884 1.00 70.87 ? 36 GLY j C 1 +ATOM 42439 O O . GLY AA 9 36 ? 11.763 41.501 1.968 1.00 57.69 ? 36 GLY j O 1 +ATOM 42440 N N . SER AA 9 37 ? 11.839 43.760 2.018 1.00 58.71 ? 37 SER j N 1 +ATOM 42441 C CA . SER AA 9 37 ? 10.449 43.906 2.433 1.00 60.27 ? 37 SER j CA 1 +ATOM 42442 C C . SER AA 9 37 ? 9.479 43.969 1.258 1.00 55.18 ? 37 SER j C 1 +ATOM 42443 O O . SER AA 9 37 ? 8.263 44.002 1.481 1.00 55.02 ? 37 SER j O 1 +ATOM 42444 C CB . SER AA 9 37 ? 10.283 45.177 3.296 1.00 61.23 ? 37 SER j CB 1 +ATOM 42445 O OG . SER AA 9 37 ? 10.415 46.345 2.494 1.00 63.61 ? 37 SER j OG 1 +ATOM 42446 N N . SER AA 9 38 ? 9.986 44.001 0.025 1.00 57.99 ? 38 SER j N 1 +ATOM 42447 C CA . SER AA 9 38 ? 9.251 44.179 -1.226 1.00 56.70 ? 38 SER j CA 1 +ATOM 42448 C C . SER AA 9 38 ? 8.795 45.635 -1.432 1.00 70.35 ? 38 SER j C 1 +ATOM 42449 O O . SER AA 9 38 ? 8.223 45.932 -2.487 1.00 61.04 ? 38 SER j O 1 +ATOM 42450 C CB . SER AA 9 38 ? 8.021 43.261 -1.342 1.00 56.93 ? 38 SER j CB 1 +ATOM 42451 O OG . SER AA 9 38 ? 6.885 43.798 -0.679 1.00 59.04 ? 38 SER j OG 1 +ATOM 42452 N N . LEU AA 9 39 ? 9.026 46.542 -0.480 1.00 63.24 ? 39 LEU j N 1 +ATOM 42453 C CA . LEU AA 9 39 ? 8.496 47.904 -0.561 1.00 66.09 ? 39 LEU j CA 1 +ATOM 42454 C C . LEU AA 9 39 ? 9.542 48.884 -1.055 1.00 70.55 ? 39 LEU j C 1 +ATOM 42455 O O . LEU AA 9 39 ? 10.715 48.766 -0.704 1.00 63.50 ? 39 LEU j O 1 +ATOM 42456 C CB . LEU AA 9 39 ? 7.973 48.359 0.803 1.00 65.25 ? 39 LEU j CB 1 +ATOM 42457 C CG . LEU AA 9 39 ? 6.909 47.470 1.459 1.00 67.94 ? 39 LEU j CG 1 +ATOM 42458 C CD1 . LEU AA 9 39 ? 6.698 47.860 2.902 1.00 72.78 ? 39 LEU j CD1 1 +ATOM 42459 C CD2 . LEU AA 9 39 ? 5.594 47.522 0.699 1.00 70.12 ? 39 LEU j CD2 1 +ATOM 42460 O OXT . LEU AA 9 39 ? 9.232 49.801 -1.826 1.00 74.67 ? 39 LEU j OXT 1 +ATOM 42461 N N . LYS BA 10 1 ? -11.257 52.037 13.973 1.00 76.60 ? 10 LYS k N 1 +ATOM 42462 C CA . LYS BA 10 1 ? -10.565 52.683 15.084 1.00 81.87 ? 10 LYS k CA 1 +ATOM 42463 C C . LYS BA 10 1 ? -11.368 52.577 16.362 1.00 67.62 ? 10 LYS k C 1 +ATOM 42464 O O . LYS BA 10 1 ? -12.586 52.415 16.319 1.00 77.47 ? 10 LYS k O 1 +ATOM 42465 C CB . LYS BA 10 1 ? -10.290 54.155 14.782 1.00 73.51 ? 10 LYS k CB 1 +ATOM 42466 C CG . LYS BA 10 1 ? -9.021 54.382 13.987 1.00 113.70 ? 10 LYS k CG 1 +ATOM 42467 C CD . LYS BA 10 1 ? -9.276 54.369 12.491 1.00 116.09 ? 10 LYS k CD 1 +ATOM 42468 C CE . LYS BA 10 1 ? -8.059 53.845 11.751 1.00 116.48 ? 10 LYS k CE 1 +ATOM 42469 N NZ . LYS BA 10 1 ? -7.788 52.436 12.179 1.00 102.45 ? 10 LYS k NZ 1 +ATOM 42470 N N . LEU BA 10 2 ? -10.671 52.641 17.495 1.00 66.66 ? 11 LEU k N 1 +ATOM 42471 C CA . LEU BA 10 2 ? -11.335 52.833 18.776 1.00 77.50 ? 11 LEU k CA 1 +ATOM 42472 C C . LEU BA 10 2 ? -11.948 54.237 18.847 1.00 76.40 ? 11 LEU k C 1 +ATOM 42473 O O . LEU BA 10 2 ? -11.432 55.179 18.232 1.00 73.17 ? 11 LEU k O 1 +ATOM 42474 C CB . LEU BA 10 2 ? -10.345 52.664 19.927 1.00 76.51 ? 11 LEU k CB 1 +ATOM 42475 C CG . LEU BA 10 2 ? -9.540 51.379 20.088 1.00 79.54 ? 11 LEU k CG 1 +ATOM 42476 C CD1 . LEU BA 10 2 ? -8.507 51.564 21.199 1.00 68.43 ? 11 LEU k CD1 1 +ATOM 42477 C CD2 . LEU BA 10 2 ? -10.460 50.198 20.363 1.00 72.23 ? 11 LEU k CD2 1 +ATOM 42478 N N . PRO BA 10 3 ? -13.039 54.407 19.600 1.00 80.21 ? 12 PRO k N 1 +ATOM 42479 C CA . PRO BA 10 3 ? -13.571 55.760 19.820 1.00 90.33 ? 12 PRO k CA 1 +ATOM 42480 C C . PRO BA 10 3 ? -12.482 56.688 20.341 1.00 75.08 ? 12 PRO k C 1 +ATOM 42481 O O . PRO BA 10 3 ? -11.609 56.277 21.110 1.00 91.20 ? 12 PRO k O 1 +ATOM 42482 C CB . PRO BA 10 3 ? -14.689 55.546 20.846 1.00 79.13 ? 12 PRO k CB 1 +ATOM 42483 C CG . PRO BA 10 3 ? -15.111 54.103 20.648 1.00 93.97 ? 12 PRO k CG 1 +ATOM 42484 C CD . PRO BA 10 3 ? -13.843 53.370 20.279 1.00 85.84 ? 12 PRO k CD 1 +ATOM 42485 N N . GLU BA 10 4 ? -12.523 57.944 19.879 1.00 94.29 ? 13 GLU k N 1 +ATOM 42486 C CA . GLU BA 10 4 ? -11.444 58.897 20.138 1.00 84.30 ? 13 GLU k CA 1 +ATOM 42487 C C . GLU BA 10 4 ? -11.145 59.058 21.625 1.00 95.05 ? 13 GLU k C 1 +ATOM 42488 O O . GLU BA 10 4 ? -9.993 59.312 22.005 1.00 79.11 ? 13 GLU k O 1 +ATOM 42489 C CB . GLU BA 10 4 ? -11.803 60.247 19.512 1.00 101.01 ? 13 GLU k CB 1 +ATOM 42490 C CG . GLU BA 10 4 ? -10.767 61.355 19.716 1.00 138.12 ? 13 GLU k CG 1 +ATOM 42491 C CD . GLU BA 10 4 ? -9.542 61.205 18.824 1.00 145.89 ? 13 GLU k CD 1 +ATOM 42492 O OE1 . GLU BA 10 4 ? -9.564 60.344 17.913 1.00 135.99 ? 13 GLU k OE1 1 +ATOM 42493 O OE2 . GLU BA 10 4 ? -8.558 61.956 19.036 1.00 144.94 ? 13 GLU k OE2 1 +ATOM 42494 N N . ALA BA 10 5 ? -12.158 58.889 22.482 1.00 80.68 ? 14 ALA k N 1 +ATOM 42495 C CA . ALA BA 10 5 ? -11.946 58.987 23.922 1.00 75.54 ? 14 ALA k CA 1 +ATOM 42496 C C . ALA BA 10 5 ? -10.934 57.961 24.424 1.00 104.34 ? 14 ALA k C 1 +ATOM 42497 O O . ALA BA 10 5 ? -10.285 58.184 25.455 1.00 79.91 ? 14 ALA k O 1 +ATOM 42498 C CB . ALA BA 10 5 ? -13.275 58.809 24.653 1.00 80.02 ? 14 ALA k CB 1 +ATOM 42499 N N . TYR BA 10 6 ? -10.788 56.832 23.718 1.00 106.84 ? 15 TYR k N 1 +ATOM 42500 C CA . TYR BA 10 6 ? -9.922 55.740 24.148 1.00 94.46 ? 15 TYR k CA 1 +ATOM 42501 C C . TYR BA 10 6 ? -8.590 55.692 23.409 1.00 84.88 ? 15 TYR k C 1 +ATOM 42502 O O . TYR BA 10 6 ? -7.737 54.868 23.758 1.00 85.99 ? 15 TYR k O 1 +ATOM 42503 C CB . TYR BA 10 6 ? -10.638 54.405 23.974 1.00 70.79 ? 15 TYR k CB 1 +ATOM 42504 C CG . TYR BA 10 6 ? -11.908 54.250 24.786 1.00 80.52 ? 15 TYR k CG 1 +ATOM 42505 C CD1 . TYR BA 10 6 ? -13.125 54.707 24.304 1.00 76.38 ? 15 TYR k CD1 1 +ATOM 42506 C CD2 . TYR BA 10 6 ? -11.892 53.613 26.020 1.00 81.12 ? 15 TYR k CD2 1 +ATOM 42507 C CE1 . TYR BA 10 6 ? -14.290 54.544 25.036 1.00 71.92 ? 15 TYR k CE1 1 +ATOM 42508 C CE2 . TYR BA 10 6 ? -13.050 53.444 26.757 1.00 72.20 ? 15 TYR k CE2 1 +ATOM 42509 C CZ . TYR BA 10 6 ? -14.245 53.915 26.259 1.00 80.04 ? 15 TYR k CZ 1 +ATOM 42510 O OH . TYR BA 10 6 ? -15.402 53.748 26.990 1.00 88.01 ? 15 TYR k OH 1 +ATOM 42511 N N . ALA BA 10 7 ? -8.385 56.571 22.426 1.00 81.93 ? 16 ALA k N 1 +ATOM 42512 C CA . ALA BA 10 7 ? -7.257 56.471 21.505 1.00 87.57 ? 16 ALA k CA 1 +ATOM 42513 C C . ALA BA 10 7 ? -5.900 56.463 22.195 1.00 85.61 ? 16 ALA k C 1 +ATOM 42514 O O . ALA BA 10 7 ? -4.930 55.958 21.619 1.00 91.75 ? 16 ALA k O 1 +ATOM 42515 C CB . ALA BA 10 7 ? -7.307 57.625 20.504 1.00 92.49 ? 16 ALA k CB 1 +ATOM 42516 N N . ILE BA 10 8 ? -5.785 57.034 23.393 1.00 83.65 ? 17 ILE k N 1 +ATOM 42517 C CA . ILE BA 10 8 ? -4.487 57.020 24.056 1.00 98.30 ? 17 ILE k CA 1 +ATOM 42518 C C . ILE BA 10 8 ? -4.110 55.609 24.475 1.00 82.40 ? 17 ILE k C 1 +ATOM 42519 O O . ILE BA 10 8 ? -2.923 55.318 24.652 1.00 93.93 ? 17 ILE k O 1 +ATOM 42520 C CB . ILE BA 10 8 ? -4.450 57.977 25.268 1.00 92.13 ? 17 ILE k CB 1 +ATOM 42521 C CG1 . ILE BA 10 8 ? -5.431 57.542 26.364 1.00 87.50 ? 17 ILE k CG1 1 +ATOM 42522 C CG2 . ILE BA 10 8 ? -4.736 59.403 24.823 1.00 111.19 ? 17 ILE k CG2 1 +ATOM 42523 C CD1 . ILE BA 10 8 ? -6.867 58.026 26.156 1.00 109.60 ? 17 ILE k CD1 1 +ATOM 42524 N N . PHE BA 10 9 ? -5.089 54.722 24.627 1.00 81.80 ? 18 PHE k N 1 +ATOM 42525 C CA . PHE BA 10 9 ? -4.835 53.338 24.995 1.00 85.57 ? 18 PHE k CA 1 +ATOM 42526 C C . PHE BA 10 9 ? -4.556 52.442 23.792 1.00 86.31 ? 18 PHE k C 1 +ATOM 42527 O O . PHE BA 10 9 ? -4.332 51.238 23.971 1.00 71.67 ? 18 PHE k O 1 +ATOM 42528 C CB . PHE BA 10 9 ? -6.019 52.792 25.794 1.00 95.43 ? 18 PHE k CB 1 +ATOM 42529 C CG . PHE BA 10 9 ? -6.208 53.470 27.113 1.00 118.84 ? 18 PHE k CG 1 +ATOM 42530 C CD1 . PHE BA 10 9 ? -5.546 53.013 28.243 1.00 114.70 ? 18 PHE k CD1 1 +ATOM 42531 C CD2 . PHE BA 10 9 ? -7.029 54.584 27.222 1.00 116.82 ? 18 PHE k CD2 1 +ATOM 42532 C CE1 . PHE BA 10 9 ? -5.710 53.646 29.465 1.00 108.26 ? 18 PHE k CE1 1 +ATOM 42533 C CE2 . PHE BA 10 9 ? -7.192 55.222 28.435 1.00 120.00 ? 18 PHE k CE2 1 +ATOM 42534 C CZ . PHE BA 10 9 ? -6.536 54.749 29.560 1.00 114.70 ? 18 PHE k CZ 1 +ATOM 42535 N N . ASP BA 10 10 ? -4.559 53.005 22.585 1.00 84.21 ? 19 ASP k N 1 +ATOM 42536 C CA . ASP BA 10 10 ? -4.316 52.230 21.370 1.00 82.26 ? 19 ASP k CA 1 +ATOM 42537 C C . ASP BA 10 10 ? -3.066 51.361 21.454 1.00 86.97 ? 19 ASP k C 1 +ATOM 42538 O O . ASP BA 10 10 ? -3.165 50.157 21.163 1.00 72.53 ? 19 ASP k O 1 +ATOM 42539 C CB . ASP BA 10 10 ? -4.250 53.192 20.178 1.00 76.30 ? 19 ASP k CB 1 +ATOM 42540 C CG . ASP BA 10 10 ? -4.696 52.555 18.893 1.00 96.01 ? 19 ASP k CG 1 +ATOM 42541 O OD1 . ASP BA 10 10 ? -5.918 52.588 18.626 1.00 101.41 ? 19 ASP k OD1 1 +ATOM 42542 O OD2 . ASP BA 10 10 ? -3.833 52.019 18.154 1.00 118.82 ? 19 ASP k OD2 1 +ATOM 42543 N N . PRO BA 10 11 ? -1.890 51.877 21.844 1.00 86.66 ? 20 PRO k N 1 +ATOM 42544 C CA . PRO BA 10 11 ? -0.706 51.001 21.940 1.00 66.47 ? 20 PRO k CA 1 +ATOM 42545 C C . PRO BA 10 11 ? -0.858 49.900 22.958 1.00 76.86 ? 20 PRO k C 1 +ATOM 42546 O O . PRO BA 10 11 ? -0.188 48.868 22.844 1.00 76.53 ? 20 PRO k O 1 +ATOM 42547 C CB . PRO BA 10 11 ? 0.421 51.963 22.332 1.00 81.71 ? 20 PRO k CB 1 +ATOM 42548 C CG . PRO BA 10 11 ? -0.078 53.317 21.955 1.00 86.83 ? 20 PRO k CG 1 +ATOM 42549 C CD . PRO BA 10 11 ? -1.553 53.283 22.130 1.00 76.27 ? 20 PRO k CD 1 +ATOM 42550 N N . LEU BA 10 12 ? -1.701 50.088 23.972 1.00 80.40 ? 21 LEU k N 1 +ATOM 42551 C CA . LEU BA 10 12 ? -1.966 48.981 24.879 1.00 79.59 ? 21 LEU k CA 1 +ATOM 42552 C C . LEU BA 10 12 ? -2.851 47.941 24.206 1.00 74.90 ? 21 LEU k C 1 +ATOM 42553 O O . LEU BA 10 12 ? -2.588 46.737 24.308 1.00 72.25 ? 21 LEU k O 1 +ATOM 42554 C CB . LEU BA 10 12 ? -2.612 49.486 26.173 1.00 71.19 ? 21 LEU k CB 1 +ATOM 42555 C CG . LEU BA 10 12 ? -2.946 48.391 27.198 1.00 75.34 ? 21 LEU k CG 1 +ATOM 42556 C CD1 . LEU BA 10 12 ? -1.677 47.667 27.657 1.00 69.43 ? 21 LEU k CD1 1 +ATOM 42557 C CD2 . LEU BA 10 12 ? -3.722 48.935 28.390 1.00 69.02 ? 21 LEU k CD2 1 +ATOM 42558 N N . VAL BA 10 13 ? -3.903 48.387 23.512 1.00 65.88 ? 22 VAL k N 1 +ATOM 42559 C CA . VAL BA 10 13 ? -4.813 47.456 22.857 1.00 68.41 ? 22 VAL k CA 1 +ATOM 42560 C C . VAL BA 10 13 ? -4.071 46.620 21.818 1.00 75.12 ? 22 VAL k C 1 +ATOM 42561 O O . VAL BA 10 13 ? -4.399 45.447 21.609 1.00 68.24 ? 22 VAL k O 1 +ATOM 42562 C CB . VAL BA 10 13 ? -6.003 48.227 22.251 1.00 71.67 ? 22 VAL k CB 1 +ATOM 42563 C CG1 . VAL BA 10 13 ? -6.763 47.380 21.217 1.00 69.47 ? 22 VAL k CG1 1 +ATOM 42564 C CG2 . VAL BA 10 13 ? -6.946 48.652 23.351 1.00 72.31 ? 22 VAL k CG2 1 +ATOM 42565 N N . ASP BA 10 14 ? -3.036 47.193 21.193 1.00 65.80 ? 23 ASP k N 1 +ATOM 42566 C CA . ASP BA 10 14 ? -2.221 46.468 20.222 1.00 79.21 ? 23 ASP k CA 1 +ATOM 42567 C C . ASP BA 10 14 ? -1.573 45.237 20.818 1.00 80.59 ? 23 ASP k C 1 +ATOM 42568 O O . ASP BA 10 14 ? -1.332 44.258 20.105 1.00 74.53 ? 23 ASP k O 1 +ATOM 42569 C CB . ASP BA 10 14 ? -1.113 47.366 19.674 1.00 80.80 ? 23 ASP k CB 1 +ATOM 42570 C CG . ASP BA 10 14 ? -1.610 48.348 18.655 1.00 73.71 ? 23 ASP k CG 1 +ATOM 42571 O OD1 . ASP BA 10 14 ? -2.809 48.294 18.315 1.00 77.92 ? 23 ASP k OD1 1 +ATOM 42572 O OD2 . ASP BA 10 14 ? -0.795 49.176 18.203 1.00 85.41 ? 23 ASP k OD2 1 +ATOM 42573 N N . VAL BA 10 15 ? -1.249 45.279 22.107 1.00 73.70 ? 24 VAL k N 1 +ATOM 42574 C CA . VAL BA 10 15 ? -0.391 44.270 22.705 1.00 68.53 ? 24 VAL k CA 1 +ATOM 42575 C C . VAL BA 10 15 ? -1.179 43.219 23.482 1.00 75.70 ? 24 VAL k C 1 +ATOM 42576 O O . VAL BA 10 15 ? -0.654 42.119 23.717 1.00 71.84 ? 24 VAL k O 1 +ATOM 42577 C CB . VAL BA 10 15 ? 0.668 44.960 23.593 1.00 88.94 ? 24 VAL k CB 1 +ATOM 42578 C CG1 . VAL BA 10 15 ? 0.246 44.958 25.058 1.00 83.38 ? 24 VAL k CG1 1 +ATOM 42579 C CG2 . VAL BA 10 15 ? 2.023 44.333 23.395 1.00 100.85 ? 24 VAL k CG2 1 +ATOM 42580 N N . LEU BA 10 16 ? -2.434 43.500 23.833 1.00 63.02 ? 25 LEU k N 1 +ATOM 42581 C CA . LEU BA 10 16 ? -3.220 42.547 24.617 1.00 64.23 ? 25 LEU k CA 1 +ATOM 42582 C C . LEU BA 10 16 ? -3.353 41.158 23.996 1.00 73.00 ? 25 LEU k C 1 +ATOM 42583 O O . LEU BA 10 16 ? -3.238 40.175 24.752 1.00 76.71 ? 25 LEU k O 1 +ATOM 42584 C CB . LEU BA 10 16 ? -4.618 43.121 24.893 1.00 66.27 ? 25 LEU k CB 1 +ATOM 42585 C CG . LEU BA 10 16 ? -4.749 44.422 25.709 1.00 83.71 ? 25 LEU k CG 1 +ATOM 42586 C CD1 . LEU BA 10 16 ? -6.218 44.702 26.008 1.00 63.74 ? 25 LEU k CD1 1 +ATOM 42587 C CD2 . LEU BA 10 16 ? -3.922 44.389 26.996 1.00 69.11 ? 25 LEU k CD2 1 +ATOM 42588 N N . PRO BA 10 17 ? -3.634 40.989 22.688 1.00 73.35 ? 26 PRO k N 1 +ATOM 42589 C CA . PRO BA 10 17 ? -3.922 39.628 22.178 1.00 75.90 ? 26 PRO k CA 1 +ATOM 42590 C C . PRO BA 10 17 ? -2.853 38.602 22.506 1.00 57.52 ? 26 PRO k C 1 +ATOM 42591 O O . PRO BA 10 17 ? -3.167 37.415 22.633 1.00 61.90 ? 26 PRO k O 1 +ATOM 42592 C CB . PRO BA 10 17 ? -4.051 39.836 20.653 1.00 63.73 ? 26 PRO k CB 1 +ATOM 42593 C CG . PRO BA 10 17 ? -4.488 41.268 20.507 1.00 72.97 ? 26 PRO k CG 1 +ATOM 42594 C CD . PRO BA 10 17 ? -3.814 42.016 21.633 1.00 72.30 ? 26 PRO k CD 1 +ATOM 42595 N N . VAL BA 10 18 ? -1.603 39.041 22.678 1.00 67.37 ? 27 VAL k N 1 +ATOM 42596 C CA . VAL BA 10 18 ? -0.472 38.160 22.955 1.00 71.47 ? 27 VAL k CA 1 +ATOM 42597 C C . VAL BA 10 18 ? -0.489 37.564 24.369 1.00 77.87 ? 27 VAL k C 1 +ATOM 42598 O O . VAL BA 10 18 ? 0.191 36.558 24.620 1.00 76.43 ? 27 VAL k O 1 +ATOM 42599 C CB . VAL BA 10 18 ? 0.826 38.957 22.716 1.00 73.72 ? 27 VAL k CB 1 +ATOM 42600 C CG1 . VAL BA 10 18 ? 2.034 38.052 22.722 1.00 102.10 ? 27 VAL k CG1 1 +ATOM 42601 C CG2 . VAL BA 10 18 ? 0.737 39.705 21.397 1.00 102.65 ? 27 VAL k CG2 1 +ATOM 42602 N N . ILE BA 10 19 ? -1.246 38.142 25.307 1.00 73.97 ? 28 ILE k N 1 +ATOM 42603 C CA . ILE BA 10 19 ? -1.094 37.760 26.720 1.00 78.61 ? 28 ILE k CA 1 +ATOM 42604 C C . ILE BA 10 19 ? -1.417 36.296 26.975 1.00 67.67 ? 28 ILE k C 1 +ATOM 42605 O O . ILE BA 10 19 ? -0.677 35.653 27.732 1.00 70.36 ? 28 ILE k O 1 +ATOM 42606 C CB . ILE BA 10 19 ? -1.890 38.716 27.620 1.00 86.18 ? 28 ILE k CB 1 +ATOM 42607 C CG1 . ILE BA 10 19 ? -1.339 40.138 27.534 1.00 76.46 ? 28 ILE k CG1 1 +ATOM 42608 C CG2 . ILE BA 10 19 ? -1.814 38.274 29.069 1.00 72.57 ? 28 ILE k CG2 1 +ATOM 42609 C CD1 . ILE BA 10 19 ? -2.035 41.066 28.473 1.00 72.90 ? 28 ILE k CD1 1 +ATOM 42610 N N . PRO BA 10 20 ? -2.479 35.698 26.404 1.00 80.88 ? 29 PRO k N 1 +ATOM 42611 C CA . PRO BA 10 20 ? -2.678 34.246 26.603 1.00 77.37 ? 29 PRO k CA 1 +ATOM 42612 C C . PRO BA 10 20 ? -1.448 33.418 26.271 1.00 70.25 ? 29 PRO k C 1 +ATOM 42613 O O . PRO BA 10 20 ? -1.151 32.459 26.984 1.00 71.77 ? 29 PRO k O 1 +ATOM 42614 C CB . PRO BA 10 20 ? -3.850 33.925 25.671 1.00 75.91 ? 29 PRO k CB 1 +ATOM 42615 C CG . PRO BA 10 20 ? -4.610 35.200 25.573 1.00 70.01 ? 29 PRO k CG 1 +ATOM 42616 C CD . PRO BA 10 20 ? -3.576 36.286 25.611 1.00 84.20 ? 29 PRO k CD 1 +ATOM 42617 N N . VAL BA 10 21 ? -0.685 33.794 25.245 1.00 66.96 ? 30 VAL k N 1 +ATOM 42618 C CA . VAL BA 10 21 ? 0.543 33.060 24.952 1.00 77.77 ? 30 VAL k CA 1 +ATOM 42619 C C . VAL BA 10 21 ? 1.506 33.155 26.125 1.00 67.60 ? 30 VAL k C 1 +ATOM 42620 O O . VAL BA 10 21 ? 2.185 32.180 26.469 1.00 69.90 ? 30 VAL k O 1 +ATOM 42621 C CB . VAL BA 10 21 ? 1.181 33.566 23.637 1.00 76.18 ? 30 VAL k CB 1 +ATOM 42622 C CG1 . VAL BA 10 21 ? 2.512 32.865 23.366 1.00 70.10 ? 30 VAL k CG1 1 +ATOM 42623 C CG2 . VAL BA 10 21 ? 0.238 33.328 22.486 1.00 74.17 ? 30 VAL k CG2 1 +ATOM 42624 N N . LEU BA 10 22 ? 1.555 34.321 26.781 1.00 81.06 ? 31 LEU k N 1 +ATOM 42625 C CA . LEU BA 10 22 ? 2.449 34.501 27.925 1.00 71.24 ? 31 LEU k CA 1 +ATOM 42626 C C . LEU BA 10 22 ? 2.132 33.538 29.069 1.00 68.16 ? 31 LEU k C 1 +ATOM 42627 O O . LEU BA 10 22 ? 3.045 33.133 29.798 1.00 65.34 ? 31 LEU k O 1 +ATOM 42628 C CB . LEU BA 10 22 ? 2.392 35.949 28.410 1.00 73.03 ? 31 LEU k CB 1 +ATOM 42629 C CG . LEU BA 10 22 ? 2.945 36.957 27.403 1.00 79.96 ? 31 LEU k CG 1 +ATOM 42630 C CD1 . LEU BA 10 22 ? 2.998 38.360 27.994 1.00 78.74 ? 31 LEU k CD1 1 +ATOM 42631 C CD2 . LEU BA 10 22 ? 4.315 36.516 26.933 1.00 77.40 ? 31 LEU k CD2 1 +ATOM 42632 N N . PHE BA 10 23 ? 0.860 33.146 29.237 1.00 61.15 ? 32 PHE k N 1 +ATOM 42633 C CA . PHE BA 10 23 ? 0.514 32.192 30.292 1.00 63.04 ? 32 PHE k CA 1 +ATOM 42634 C C . PHE BA 10 23 ? 1.170 30.831 30.072 1.00 69.63 ? 32 PHE k C 1 +ATOM 42635 O O . PHE BA 10 23 ? 1.617 30.195 31.034 1.00 76.47 ? 32 PHE k O 1 +ATOM 42636 C CB . PHE BA 10 23 ? -1.006 32.054 30.409 1.00 64.31 ? 32 PHE k CB 1 +ATOM 42637 C CG . PHE BA 10 23 ? -1.634 33.139 31.240 1.00 83.12 ? 32 PHE k CG 1 +ATOM 42638 C CD1 . PHE BA 10 23 ? -1.747 32.998 32.615 1.00 80.54 ? 32 PHE k CD1 1 +ATOM 42639 C CD2 . PHE BA 10 23 ? -2.059 34.329 30.657 1.00 79.06 ? 32 PHE k CD2 1 +ATOM 42640 C CE1 . PHE BA 10 23 ? -2.297 34.007 33.389 1.00 74.24 ? 32 PHE k CE1 1 +ATOM 42641 C CE2 . PHE BA 10 23 ? -2.613 35.339 31.432 1.00 74.31 ? 32 PHE k CE2 1 +ATOM 42642 C CZ . PHE BA 10 23 ? -2.735 35.170 32.799 1.00 73.27 ? 32 PHE k CZ 1 +ATOM 42643 N N . LEU BA 10 24 ? 1.241 30.365 28.821 1.00 76.78 ? 33 LEU k N 1 +ATOM 42644 C CA . LEU BA 10 24 ? 1.909 29.098 28.546 1.00 70.44 ? 33 LEU k CA 1 +ATOM 42645 C C . LEU BA 10 24 ? 3.397 29.194 28.848 1.00 69.41 ? 33 LEU k C 1 +ATOM 42646 O O . LEU BA 10 24 ? 3.973 28.284 29.457 1.00 62.85 ? 33 LEU k O 1 +ATOM 42647 C CB . LEU BA 10 24 ? 1.685 28.684 27.085 1.00 71.49 ? 33 LEU k CB 1 +ATOM 42648 C CG . LEU BA 10 24 ? 2.553 27.518 26.574 1.00 66.72 ? 33 LEU k CG 1 +ATOM 42649 C CD1 . LEU BA 10 24 ? 2.224 26.262 27.299 1.00 63.32 ? 33 LEU k CD1 1 +ATOM 42650 C CD2 . LEU BA 10 24 ? 2.391 27.289 25.081 1.00 70.89 ? 33 LEU k CD2 1 +ATOM 42651 N N . ALA BA 10 25 ? 4.037 30.282 28.411 1.00 59.46 ? 34 ALA k N 1 +ATOM 42652 C CA . ALA BA 10 25 ? 5.451 30.486 28.712 1.00 69.06 ? 34 ALA k CA 1 +ATOM 42653 C C . ALA BA 10 25 ? 5.697 30.521 30.213 1.00 83.58 ? 34 ALA k C 1 +ATOM 42654 O O . ALA BA 10 25 ? 6.712 29.997 30.694 1.00 76.24 ? 34 ALA k O 1 +ATOM 42655 C CB . ALA BA 10 25 ? 5.944 31.786 28.074 1.00 71.07 ? 34 ALA k CB 1 +ATOM 42656 N N . LEU BA 10 26 ? 4.777 31.145 30.969 1.00 66.80 ? 35 LEU k N 1 +ATOM 42657 C CA . LEU BA 10 26 ? 4.971 31.303 32.405 1.00 74.02 ? 35 LEU k CA 1 +ATOM 42658 C C . LEU BA 10 26 ? 5.004 29.956 33.114 1.00 77.20 ? 35 LEU k C 1 +ATOM 42659 O O . LEU BA 10 26 ? 5.728 29.792 34.104 1.00 73.64 ? 35 LEU k O 1 +ATOM 42660 C CB . LEU BA 10 26 ? 3.869 32.186 32.996 1.00 66.08 ? 35 LEU k CB 1 +ATOM 42661 C CG . LEU BA 10 26 ? 4.022 32.521 34.495 1.00 83.99 ? 35 LEU k CG 1 +ATOM 42662 C CD1 . LEU BA 10 26 ? 5.290 33.328 34.748 1.00 61.05 ? 35 LEU k CD1 1 +ATOM 42663 C CD2 . LEU BA 10 26 ? 2.797 33.239 35.057 1.00 60.87 ? 35 LEU k CD2 1 +ATOM 42664 N N . ALA BA 10 27 ? 4.231 28.981 32.626 1.00 73.29 ? 36 ALA k N 1 +ATOM 42665 C CA . ALA BA 10 27 ? 4.246 27.653 33.234 1.00 70.06 ? 36 ALA k CA 1 +ATOM 42666 C C . ALA BA 10 27 ? 5.647 27.051 33.209 1.00 71.26 ? 36 ALA k C 1 +ATOM 42667 O O . ALA BA 10 27 ? 5.994 26.249 34.080 1.00 75.84 ? 36 ALA k O 1 +ATOM 42668 C CB . ALA BA 10 27 ? 3.245 26.743 32.520 1.00 62.88 ? 36 ALA k CB 1 +ATOM 42669 N N . PHE BA 10 28 ? 6.480 27.458 32.255 1.00 63.41 ? 37 PHE k N 1 +ATOM 42670 C CA . PHE BA 10 28 ? 7.846 26.956 32.196 1.00 72.88 ? 37 PHE k CA 1 +ATOM 42671 C C . PHE BA 10 28 ? 8.770 27.689 33.154 1.00 69.62 ? 37 PHE k C 1 +ATOM 42672 O O . PHE BA 10 28 ? 9.692 27.076 33.702 1.00 77.98 ? 37 PHE k O 1 +ATOM 42673 C CB . PHE BA 10 28 ? 8.375 27.051 30.767 1.00 61.45 ? 37 PHE k CB 1 +ATOM 42674 C CG . PHE BA 10 28 ? 7.868 25.959 29.900 1.00 72.75 ? 37 PHE k CG 1 +ATOM 42675 C CD1 . PHE BA 10 28 ? 6.611 26.045 29.327 1.00 74.14 ? 37 PHE k CD1 1 +ATOM 42676 C CD2 . PHE BA 10 28 ? 8.615 24.807 29.719 1.00 74.27 ? 37 PHE k CD2 1 +ATOM 42677 C CE1 . PHE BA 10 28 ? 6.124 25.010 28.555 1.00 82.26 ? 37 PHE k CE1 1 +ATOM 42678 C CE2 . PHE BA 10 28 ? 8.135 23.783 28.956 1.00 72.15 ? 37 PHE k CE2 1 +ATOM 42679 C CZ . PHE BA 10 28 ? 6.889 23.882 28.373 1.00 80.48 ? 37 PHE k CZ 1 +ATOM 42680 N N . VAL BA 10 29 ? 8.569 28.998 33.334 1.00 69.23 ? 38 VAL k N 1 +ATOM 42681 C CA . VAL BA 10 29 ? 9.298 29.723 34.371 1.00 63.57 ? 38 VAL k CA 1 +ATOM 42682 C C . VAL BA 10 29 ? 9.010 29.100 35.730 1.00 78.79 ? 38 VAL k C 1 +ATOM 42683 O O . VAL BA 10 29 ? 9.925 28.738 36.478 1.00 68.69 ? 38 VAL k O 1 +ATOM 42684 C CB . VAL BA 10 29 ? 8.929 31.217 34.351 1.00 72.47 ? 38 VAL k CB 1 +ATOM 42685 C CG1 . VAL BA 10 29 ? 9.593 31.941 35.523 1.00 69.37 ? 38 VAL k CG1 1 +ATOM 42686 C CG2 . VAL BA 10 29 ? 9.335 31.851 33.026 1.00 64.66 ? 38 VAL k CG2 1 +ATOM 42687 N N . TRP BA 10 30 ? 7.721 28.925 36.032 1.00 62.99 ? 39 TRP k N 1 +ATOM 42688 C CA . TRP BA 10 30 ? 7.292 28.323 37.283 1.00 71.84 ? 39 TRP k CA 1 +ATOM 42689 C C . TRP BA 10 30 ? 7.890 26.935 37.471 1.00 80.18 ? 39 TRP k C 1 +ATOM 42690 O O . TRP BA 10 30 ? 8.389 26.607 38.555 1.00 88.29 ? 39 TRP k O 1 +ATOM 42691 C CB . TRP BA 10 30 ? 5.767 28.274 37.312 1.00 67.88 ? 39 TRP k CB 1 +ATOM 42692 C CG . TRP BA 10 30 ? 5.199 27.367 38.340 1.00 79.28 ? 39 TRP k CG 1 +ATOM 42693 C CD1 . TRP BA 10 30 ? 5.410 27.418 39.700 1.00 88.94 ? 39 TRP k CD1 1 +ATOM 42694 C CD2 . TRP BA 10 30 ? 4.287 26.284 38.119 1.00 80.87 ? 39 TRP k CD2 1 +ATOM 42695 N NE1 . TRP BA 10 30 ? 4.697 26.419 40.328 1.00 74.18 ? 39 TRP k NE1 1 +ATOM 42696 C CE2 . TRP BA 10 30 ? 3.998 25.712 39.387 1.00 70.44 ? 39 TRP k CE2 1 +ATOM 42697 C CE3 . TRP BA 10 30 ? 3.692 25.734 36.979 1.00 69.85 ? 39 TRP k CE3 1 +ATOM 42698 C CZ2 . TRP BA 10 30 ? 3.135 24.626 39.537 1.00 64.76 ? 39 TRP k CZ2 1 +ATOM 42699 C CZ3 . TRP BA 10 30 ? 2.832 24.634 37.134 1.00 74.84 ? 39 TRP k CZ3 1 +ATOM 42700 C CH2 . TRP BA 10 30 ? 2.565 24.099 38.405 1.00 81.36 ? 39 TRP k CH2 1 +ATOM 42701 N N . GLN BA 10 31 ? 7.879 26.112 36.424 1.00 75.49 ? 40 GLN k N 1 +ATOM 42702 C CA . GLN BA 10 31 ? 8.412 24.763 36.569 1.00 66.27 ? 40 GLN k CA 1 +ATOM 42703 C C . GLN BA 10 31 ? 9.926 24.772 36.745 1.00 69.79 ? 40 GLN k C 1 +ATOM 42704 O O . GLN BA 10 31 ? 10.467 23.952 37.495 1.00 68.53 ? 40 GLN k O 1 +ATOM 42705 C CB . GLN BA 10 31 ? 8.007 23.906 35.369 1.00 64.18 ? 40 GLN k CB 1 +ATOM 42706 C CG . GLN BA 10 31 ? 6.597 23.366 35.487 1.00 64.37 ? 40 GLN k CG 1 +ATOM 42707 C CD . GLN BA 10 31 ? 6.397 22.560 36.756 1.00 67.74 ? 40 GLN k CD 1 +ATOM 42708 O OE1 . GLN BA 10 31 ? 7.116 21.592 37.021 1.00 66.86 ? 40 GLN k OE1 1 +ATOM 42709 N NE2 . GLN BA 10 31 ? 5.420 22.959 37.552 1.00 67.89 ? 40 GLN k NE2 1 +ATOM 42710 N N . ALA BA 10 32 ? 10.634 25.661 36.042 1.00 63.74 ? 41 ALA k N 1 +ATOM 42711 C CA . ALA BA 10 32 ? 12.075 25.764 36.258 1.00 76.03 ? 41 ALA k CA 1 +ATOM 42712 C C . ALA BA 10 32 ? 12.378 26.182 37.694 1.00 85.49 ? 41 ALA k C 1 +ATOM 42713 O O . ALA BA 10 32 ? 13.352 25.714 38.302 1.00 73.01 ? 41 ALA k O 1 +ATOM 42714 C CB . ALA BA 10 32 ? 12.697 26.754 35.275 1.00 64.89 ? 41 ALA k CB 1 +ATOM 42715 N N . ALA BA 10 33 ? 11.535 27.043 38.260 1.00 62.08 ? 42 ALA k N 1 +ATOM 42716 C CA . ALA BA 10 33 ? 11.756 27.509 39.624 1.00 82.08 ? 42 ALA k CA 1 +ATOM 42717 C C . ALA BA 10 33 ? 11.647 26.362 40.624 1.00 81.79 ? 42 ALA k C 1 +ATOM 42718 O O . ALA BA 10 33 ? 12.399 26.322 41.605 1.00 77.95 ? 42 ALA k O 1 +ATOM 42719 C CB . ALA BA 10 33 ? 10.764 28.614 39.963 1.00 66.15 ? 42 ALA k CB 1 +ATOM 42720 N N . VAL BA 10 34 ? 10.733 25.412 40.391 1.00 68.05 ? 43 VAL k N 1 +ATOM 42721 C CA . VAL BA 10 34 ? 10.567 24.287 41.308 1.00 74.12 ? 43 VAL k CA 1 +ATOM 42722 C C . VAL BA 10 34 ? 11.332 23.069 40.806 1.00 63.87 ? 43 VAL k C 1 +ATOM 42723 O O . VAL BA 10 34 ? 11.053 21.934 41.211 1.00 73.06 ? 43 VAL k O 1 +ATOM 42724 C CB . VAL BA 10 34 ? 9.085 23.940 41.521 1.00 69.85 ? 43 VAL k CB 1 +ATOM 42725 C CG1 . VAL BA 10 34 ? 8.361 25.074 42.243 1.00 71.47 ? 43 VAL k CG1 1 +ATOM 42726 C CG2 . VAL BA 10 34 ? 8.422 23.647 40.191 1.00 68.21 ? 43 VAL k CG2 1 +ATOM 42727 N N . GLY BA 10 35 ? 12.310 23.293 39.928 1.00 71.81 ? 44 GLY k N 1 +ATOM 42728 C CA . GLY BA 10 35 ? 13.200 22.235 39.463 1.00 65.49 ? 44 GLY k CA 1 +ATOM 42729 C C . GLY BA 10 35 ? 12.571 21.117 38.650 1.00 83.16 ? 44 GLY k C 1 +ATOM 42730 O O . GLY BA 10 35 ? 13.134 20.017 38.602 1.00 66.79 ? 44 GLY k O 1 +ATOM 42731 N N . PHE BA 10 36 ? 11.430 21.364 37.991 1.00 74.98 ? 45 PHE k N 1 +ATOM 42732 C CA . PHE BA 10 36 ? 10.727 20.340 37.193 1.00 78.74 ? 45 PHE k CA 1 +ATOM 42733 C C . PHE BA 10 36 ? 10.478 19.066 38.003 1.00 72.07 ? 45 PHE k C 1 +ATOM 42734 O O . PHE BA 10 36 ? 10.645 17.948 37.511 1.00 73.93 ? 45 PHE k O 1 +ATOM 42735 C CB . PHE BA 10 36 ? 11.489 20.012 35.900 1.00 65.89 ? 45 PHE k CB 1 +ATOM 42736 C CG . PHE BA 10 36 ? 11.575 21.161 34.942 1.00 82.60 ? 45 PHE k CG 1 +ATOM 42737 C CD1 . PHE BA 10 36 ? 10.491 21.493 34.138 1.00 78.50 ? 45 PHE k CD1 1 +ATOM 42738 C CD2 . PHE BA 10 36 ? 12.735 21.917 34.842 1.00 71.31 ? 45 PHE k CD2 1 +ATOM 42739 C CE1 . PHE BA 10 36 ? 10.565 22.563 33.260 1.00 82.13 ? 45 PHE k CE1 1 +ATOM 42740 C CE2 . PHE BA 10 36 ? 12.813 22.987 33.960 1.00 67.09 ? 45 PHE k CE2 1 +ATOM 42741 C CZ . PHE BA 10 36 ? 11.728 23.309 33.172 1.00 63.25 ? 45 PHE k CZ 1 +ATOM 42742 N N . ARG BA 10 37 ? 10.066 19.234 39.250 1.00 70.70 ? 46 ARG k N 1 +ATOM 42743 C CA . ARG BA 10 37 ? 9.945 18.103 40.175 1.00 77.94 ? 46 ARG k CA 1 +ATOM 42744 C C . ARG BA 10 37 ? 8.706 17.227 39.919 1.00 79.71 ? 46 ARG k C 1 +ATOM 42745 O O . ARG BA 10 37 ? 7.725 17.656 39.283 1.00 66.77 ? 46 ARG k O 1 +ATOM 42746 C CB . ARG BA 10 37 ? 9.914 18.606 41.621 1.00 72.07 ? 46 ARG k CB 1 +ATOM 42747 C CG . ARG BA 10 37 ? 8.619 19.316 41.964 1.00 71.84 ? 46 ARG k CG 1 +ATOM 42748 C CD . ARG BA 10 37 ? 8.767 20.226 43.171 1.00 80.37 ? 46 ARG k CD 1 +ATOM 42749 N NE . ARG BA 10 37 ? 7.518 20.932 43.434 1.00 74.31 ? 46 ARG k NE 1 +ATOM 42750 C CZ . ARG BA 10 37 ? 7.379 21.901 44.324 1.00 79.00 ? 46 ARG k CZ 1 +ATOM 42751 N NH1 . ARG BA 10 37 ? 8.396 22.301 45.071 1.00 81.46 ? 46 ARG k NH1 1 +ATOM 42752 N NH2 . ARG BA 10 37 ? 6.192 22.486 44.463 1.00 85.18 ? 46 ARG k NH2 1 +ATOM 42753 O OXT . ARG BA 10 37 ? 8.667 16.067 40.377 1.00 66.39 ? 46 ARG k OXT 1 +ATOM 42754 N N . GLU CA 11 2 ? 44.406 -34.999 -2.697 1.00 113.58 ? 2 GLU l N 1 +ATOM 42755 C CA . GLU CA 11 2 ? 44.483 -34.598 -1.291 1.00 136.29 ? 2 GLU l CA 1 +ATOM 42756 C C . GLU CA 11 2 ? 43.165 -33.974 -0.811 1.00 134.40 ? 2 GLU l C 1 +ATOM 42757 O O . GLU CA 11 2 ? 42.659 -33.021 -1.429 1.00 103.38 ? 2 GLU l O 1 +ATOM 42758 C CB . GLU CA 11 2 ? 45.632 -33.602 -1.053 1.00 126.11 ? 2 GLU l CB 1 +ATOM 42759 C CG . GLU CA 11 2 ? 46.881 -33.804 -1.908 1.00 136.55 ? 2 GLU l CG 1 +ATOM 42760 C CD . GLU CA 11 2 ? 46.814 -33.051 -3.239 1.00 142.42 ? 2 GLU l CD 1 +ATOM 42761 O OE1 . GLU CA 11 2 ? 46.464 -33.691 -4.267 1.00 121.39 ? 2 GLU l OE1 1 +ATOM 42762 O OE2 . GLU CA 11 2 ? 47.104 -31.820 -3.248 1.00 101.30 ? 2 GLU l OE2 1 +ATOM 42763 N N . PRO CA 11 3 ? 42.612 -34.511 0.302 1.00 109.34 ? 3 PRO l N 1 +ATOM 42764 C CA . PRO CA 11 3 ? 41.368 -33.952 0.859 1.00 106.66 ? 3 PRO l CA 1 +ATOM 42765 C C . PRO CA 11 3 ? 41.568 -32.561 1.441 1.00 105.31 ? 3 PRO l C 1 +ATOM 42766 O O . PRO CA 11 3 ? 42.268 -32.398 2.446 1.00 88.72 ? 3 PRO l O 1 +ATOM 42767 C CB . PRO CA 11 3 ? 40.980 -34.965 1.945 1.00 99.93 ? 3 PRO l CB 1 +ATOM 42768 C CG . PRO CA 11 3 ? 42.274 -35.617 2.330 1.00 92.49 ? 3 PRO l CG 1 +ATOM 42769 C CD . PRO CA 11 3 ? 43.105 -35.665 1.078 1.00 100.99 ? 3 PRO l CD 1 +ATOM 42770 N N . ASN CA 11 4 ? 40.957 -31.551 0.828 1.00 89.81 ? 4 ASN l N 1 +ATOM 42771 C CA . ASN CA 11 4 ? 41.203 -30.175 1.250 1.00 81.32 ? 4 ASN l CA 1 +ATOM 42772 C C . ASN CA 11 4 ? 40.460 -29.893 2.555 1.00 81.48 ? 4 ASN l C 1 +ATOM 42773 O O . ASN CA 11 4 ? 39.247 -30.104 2.631 1.00 83.81 ? 4 ASN l O 1 +ATOM 42774 C CB . ASN CA 11 4 ? 40.782 -29.196 0.151 1.00 70.96 ? 4 ASN l CB 1 +ATOM 42775 C CG . ASN CA 11 4 ? 41.245 -27.761 0.422 1.00 78.75 ? 4 ASN l CG 1 +ATOM 42776 O OD1 . ASN CA 11 4 ? 40.744 -27.104 1.327 1.00 71.95 ? 4 ASN l OD1 1 +ATOM 42777 N ND2 . ASN CA 11 4 ? 42.185 -27.264 -0.394 1.00 61.02 ? 4 ASN l ND2 1 +ATOM 42778 N N . PRO CA 11 5 ? 41.147 -29.425 3.595 1.00 73.74 ? 5 PRO l N 1 +ATOM 42779 C CA . PRO CA 11 5 ? 40.496 -29.217 4.893 1.00 89.74 ? 5 PRO l CA 1 +ATOM 42780 C C . PRO CA 11 5 ? 39.834 -27.857 5.062 1.00 88.40 ? 5 PRO l C 1 +ATOM 42781 O O . PRO CA 11 5 ? 39.336 -27.568 6.155 1.00 79.72 ? 5 PRO l O 1 +ATOM 42782 C CB . PRO CA 11 5 ? 41.679 -29.358 5.858 1.00 81.27 ? 5 PRO l CB 1 +ATOM 42783 C CG . PRO CA 11 5 ? 42.808 -28.692 5.101 1.00 74.94 ? 5 PRO l CG 1 +ATOM 42784 C CD . PRO CA 11 5 ? 42.549 -28.967 3.618 1.00 75.21 ? 5 PRO l CD 1 +ATOM 42785 N N . ASN CA 11 6 ? 39.823 -27.012 4.035 1.00 69.61 ? 6 ASN l N 1 +ATOM 42786 C CA . ASN CA 11 6 ? 39.226 -25.689 4.154 1.00 84.06 ? 6 ASN l CA 1 +ATOM 42787 C C . ASN CA 11 6 ? 37.743 -25.670 3.797 1.00 72.37 ? 6 ASN l C 1 +ATOM 42788 O O . ASN CA 11 6 ? 37.097 -24.632 3.964 1.00 77.10 ? 6 ASN l O 1 +ATOM 42789 C CB . ASN CA 11 6 ? 39.999 -24.685 3.288 1.00 70.53 ? 6 ASN l CB 1 +ATOM 42790 C CG . ASN CA 11 6 ? 41.416 -24.449 3.800 1.00 70.16 ? 6 ASN l CG 1 +ATOM 42791 O OD1 . ASN CA 11 6 ? 41.621 -23.698 4.747 1.00 88.83 ? 6 ASN l OD1 1 +ATOM 42792 N ND2 . ASN CA 11 6 ? 42.392 -25.094 3.182 1.00 68.34 ? 6 ASN l ND2 1 +ATOM 42793 N N . ARG CA 11 7 ? 37.181 -26.795 3.364 1.00 71.46 ? 7 ARG l N 1 +ATOM 42794 C CA . ARG CA 11 7 ? 35.785 -26.826 2.952 1.00 89.51 ? 7 ARG l CA 1 +ATOM 42795 C C . ARG CA 11 7 ? 34.845 -26.599 4.132 1.00 81.24 ? 7 ARG l C 1 +ATOM 42796 O O . ARG CA 11 7 ? 35.095 -27.059 5.251 1.00 99.54 ? 7 ARG l O 1 +ATOM 42797 C CB . ARG CA 11 7 ? 35.467 -28.159 2.267 1.00 91.05 ? 7 ARG l CB 1 +ATOM 42798 C CG . ARG CA 11 7 ? 36.032 -28.266 0.836 1.00 113.55 ? 7 ARG l CG 1 +ATOM 42799 C CD . ARG CA 11 7 ? 35.516 -29.506 0.088 1.00 121.23 ? 7 ARG l CD 1 +ATOM 42800 N NE . ARG CA 11 7 ? 34.357 -29.212 -0.754 1.00 156.52 ? 7 ARG l NE 1 +ATOM 42801 C CZ . ARG CA 11 7 ? 33.622 -30.129 -1.372 1.00 133.40 ? 7 ARG l CZ 1 +ATOM 42802 N NH1 . ARG CA 11 7 ? 33.887 -31.421 -1.257 1.00 126.00 ? 7 ARG l NH1 1 +ATOM 42803 N NH2 . ARG CA 11 7 ? 32.590 -29.740 -2.121 1.00 123.23 ? 7 ARG l NH2 1 +ATOM 42804 N N . GLN CA 11 8 ? 33.760 -25.872 3.872 1.00 81.31 ? 8 GLN l N 1 +ATOM 42805 C CA . GLN CA 11 8 ? 32.702 -25.564 4.827 1.00 76.27 ? 8 GLN l CA 1 +ATOM 42806 C C . GLN CA 11 8 ? 31.355 -25.761 4.151 1.00 76.22 ? 8 GLN l C 1 +ATOM 42807 O O . GLN CA 11 8 ? 31.227 -25.521 2.945 1.00 72.06 ? 8 GLN l O 1 +ATOM 42808 C CB . GLN CA 11 8 ? 32.789 -24.113 5.317 1.00 75.37 ? 8 GLN l CB 1 +ATOM 42809 C CG . GLN CA 11 8 ? 34.076 -23.732 6.006 1.00 80.95 ? 8 GLN l CG 1 +ATOM 42810 C CD . GLN CA 11 8 ? 33.948 -23.782 7.503 1.00 90.20 ? 8 GLN l CD 1 +ATOM 42811 O OE1 . GLN CA 11 8 ? 33.064 -24.451 8.046 1.00 90.67 ? 8 GLN l OE1 1 +ATOM 42812 N NE2 . GLN CA 11 8 ? 34.825 -23.059 8.189 1.00 133.62 ? 8 GLN l NE2 1 +ATOM 42813 N N . PRO CA 11 9 ? 30.333 -26.169 4.892 1.00 63.98 ? 9 PRO l N 1 +ATOM 42814 C CA . PRO CA 11 9 ? 28.991 -26.210 4.307 1.00 65.55 ? 9 PRO l CA 1 +ATOM 42815 C C . PRO CA 11 9 ? 28.411 -24.808 4.179 1.00 60.36 ? 9 PRO l C 1 +ATOM 42816 O O . PRO CA 11 9 ? 28.749 -23.895 4.934 1.00 59.01 ? 9 PRO l O 1 +ATOM 42817 C CB . PRO CA 11 9 ? 28.195 -27.066 5.300 1.00 56.50 ? 9 PRO l CB 1 +ATOM 42818 C CG . PRO CA 11 9 ? 28.869 -26.830 6.576 1.00 67.33 ? 9 PRO l CG 1 +ATOM 42819 C CD . PRO CA 11 9 ? 30.341 -26.664 6.273 1.00 64.48 ? 9 PRO l CD 1 +ATOM 42820 N N . VAL CA 11 10 ? 27.529 -24.651 3.198 1.00 59.70 ? 10 VAL l N 1 +ATOM 42821 C CA . VAL CA 11 10 ? 26.869 -23.391 2.876 1.00 49.75 ? 10 VAL l CA 1 +ATOM 42822 C C . VAL CA 11 10 ? 25.407 -23.494 3.287 1.00 46.83 ? 10 VAL l C 1 +ATOM 42823 O O . VAL CA 11 10 ? 24.790 -24.557 3.182 1.00 55.34 ? 10 VAL l O 1 +ATOM 42824 C CB . VAL CA 11 10 ? 26.997 -23.104 1.363 1.00 55.20 ? 10 VAL l CB 1 +ATOM 42825 C CG1 . VAL CA 11 10 ? 26.318 -21.772 0.982 1.00 60.49 ? 10 VAL l CG1 1 +ATOM 42826 C CG2 . VAL CA 11 10 ? 28.464 -23.125 0.964 1.00 61.84 ? 10 VAL l CG2 1 +ATOM 42827 N N . GLU CA 11 11 ? 24.829 -22.387 3.730 1.00 48.26 ? 11 GLU l N 1 +ATOM 42828 C CA . GLU CA 11 11 ? 23.434 -22.445 4.138 1.00 55.02 ? 11 GLU l CA 1 +ATOM 42829 C C . GLU CA 11 11 ? 22.649 -21.275 3.580 1.00 47.47 ? 11 GLU l C 1 +ATOM 42830 O O . GLU CA 11 11 ? 23.193 -20.202 3.327 1.00 55.67 ? 11 GLU l O 1 +ATOM 42831 C CB . GLU CA 11 11 ? 23.281 -22.448 5.655 1.00 46.93 ? 11 GLU l CB 1 +ATOM 42832 C CG . GLU CA 11 11 ? 23.685 -21.143 6.296 1.00 58.90 ? 11 GLU l CG 1 +ATOM 42833 C CD . GLU CA 11 11 ? 23.184 -21.044 7.714 1.00 66.20 ? 11 GLU l CD 1 +ATOM 42834 O OE1 . GLU CA 11 11 ? 23.711 -21.789 8.566 1.00 74.31 ? 11 GLU l OE1 1 +ATOM 42835 O OE2 . GLU CA 11 11 ? 22.244 -20.249 7.958 1.00 65.20 ? 11 GLU l OE2 1 +ATOM 42836 N N . LEU CA 11 12 ? 21.352 -21.505 3.403 1.00 49.09 ? 12 LEU l N 1 +ATOM 42837 C CA . LEU CA 11 12 ? 20.394 -20.437 3.138 1.00 46.72 ? 12 LEU l CA 1 +ATOM 42838 C C . LEU CA 11 12 ? 19.071 -20.860 3.760 1.00 47.38 ? 12 LEU l C 1 +ATOM 42839 O O . LEU CA 11 12 ? 18.454 -21.808 3.270 1.00 50.69 ? 12 LEU l O 1 +ATOM 42840 C CB . LEU CA 11 12 ? 20.233 -20.190 1.631 1.00 52.02 ? 12 LEU l CB 1 +ATOM 42841 C CG . LEU CA 11 12 ? 19.336 -18.967 1.344 1.00 52.91 ? 12 LEU l CG 1 +ATOM 42842 C CD1 . LEU CA 11 12 ? 20.186 -17.732 1.138 1.00 55.73 ? 12 LEU l CD1 1 +ATOM 42843 C CD2 . LEU CA 11 12 ? 18.366 -19.175 0.190 1.00 49.27 ? 12 LEU l CD2 1 +ATOM 42844 N N . ASN CA 11 13 ? 18.630 -20.179 4.821 1.00 47.47 ? 13 ASN l N 1 +ATOM 42845 C CA . ASN CA 11 13 ? 17.377 -20.576 5.460 1.00 48.20 ? 13 ASN l CA 1 +ATOM 42846 C C . ASN CA 11 13 ? 16.163 -20.055 4.673 1.00 50.07 ? 13 ASN l C 1 +ATOM 42847 O O . ASN CA 11 13 ? 16.285 -19.266 3.729 1.00 49.18 ? 13 ASN l O 1 +ATOM 42848 C CB . ASN CA 11 13 ? 17.327 -20.108 6.922 1.00 44.13 ? 13 ASN l CB 1 +ATOM 42849 C CG . ASN CA 11 13 ? 17.451 -18.572 7.083 1.00 53.83 ? 13 ASN l CG 1 +ATOM 42850 O OD1 . ASN CA 11 13 ? 17.022 -17.793 6.233 1.00 51.96 ? 13 ASN l OD1 1 +ATOM 42851 N ND2 . ASN CA 11 13 ? 18.042 -18.151 8.191 1.00 47.14 ? 13 ASN l ND2 1 +ATOM 42852 N N . ARG CA 11 14 ? 14.973 -20.495 5.097 1.00 45.67 ? 14 ARG l N 1 +ATOM 42853 C CA . ARG CA 11 14 ? 13.748 -20.217 4.351 1.00 57.31 ? 14 ARG l CA 1 +ATOM 42854 C C . ARG CA 11 14 ? 13.415 -18.729 4.343 1.00 55.00 ? 14 ARG l C 1 +ATOM 42855 O O . ARG CA 11 14 ? 12.925 -18.199 3.339 1.00 50.93 ? 14 ARG l O 1 +ATOM 42856 C CB . ARG CA 11 14 ? 12.570 -20.998 4.931 1.00 53.35 ? 14 ARG l CB 1 +ATOM 42857 C CG . ARG CA 11 14 ? 11.340 -20.941 4.033 1.00 53.46 ? 14 ARG l CG 1 +ATOM 42858 C CD . ARG CA 11 14 ? 10.136 -21.583 4.652 1.00 53.42 ? 14 ARG l CD 1 +ATOM 42859 N NE . ARG CA 11 14 ? 10.420 -22.957 5.036 1.00 69.01 ? 14 ARG l NE 1 +ATOM 42860 C CZ . ARG CA 11 14 ? 9.590 -23.731 5.722 1.00 76.75 ? 14 ARG l CZ 1 +ATOM 42861 N NH1 . ARG CA 11 14 ? 8.387 -23.310 6.077 1.00 55.42 ? 14 ARG l NH1 1 +ATOM 42862 N NH2 . ARG CA 11 14 ? 9.978 -24.959 6.058 1.00 69.91 ? 14 ARG l NH2 1 +ATOM 42863 N N A THR CA 11 15 ? 13.639 -18.040 5.463 0.40 50.48 ? 15 THR l N 1 +ATOM 42864 N N B THR CA 11 15 ? 13.645 -18.050 5.458 0.60 50.54 ? 15 THR l N 1 +ATOM 42865 C CA A THR CA 11 15 ? 13.370 -16.616 5.501 0.40 46.93 ? 15 THR l CA 1 +ATOM 42866 C CA B THR CA 11 15 ? 13.364 -16.629 5.487 0.60 46.84 ? 15 THR l CA 1 +ATOM 42867 C C A THR CA 11 15 ? 14.270 -15.879 4.519 0.40 45.75 ? 15 THR l C 1 +ATOM 42868 C C B THR CA 11 15 ? 14.264 -15.889 4.508 0.60 45.68 ? 15 THR l C 1 +ATOM 42869 O O A THR CA 11 15 ? 13.813 -14.980 3.808 0.40 46.93 ? 15 THR l O 1 +ATOM 42870 O O B THR CA 11 15 ? 13.809 -14.984 3.805 0.60 46.96 ? 15 THR l O 1 +ATOM 42871 C CB A THR CA 11 15 ? 13.520 -16.112 6.937 0.40 49.91 ? 15 THR l CB 1 +ATOM 42872 C CB B THR CA 11 15 ? 13.500 -16.115 6.917 0.60 49.86 ? 15 THR l CB 1 +ATOM 42873 O OG1 A THR CA 11 15 ? 12.422 -16.609 7.708 0.40 56.59 ? 15 THR l OG1 1 +ATOM 42874 O OG1 B THR CA 11 15 ? 12.431 -16.665 7.694 0.60 56.68 ? 15 THR l OG1 1 +ATOM 42875 C CG2 A THR CA 11 15 ? 13.494 -14.618 6.998 0.40 46.90 ? 15 THR l CG2 1 +ATOM 42876 C CG2 B THR CA 11 15 ? 13.411 -14.611 6.968 0.60 46.71 ? 15 THR l CG2 1 +ATOM 42877 N N . SER CA 11 16 ? 15.530 -16.300 4.409 1.00 46.19 ? 16 SER l N 1 +ATOM 42878 C CA . SER CA 11 16 ? 16.430 -15.696 3.428 1.00 48.85 ? 16 SER l CA 1 +ATOM 42879 C C . SER CA 11 16 ? 15.956 -15.957 1.997 1.00 49.26 ? 16 SER l C 1 +ATOM 42880 O O . SER CA 11 16 ? 16.071 -15.079 1.130 1.00 48.66 ? 16 SER l O 1 +ATOM 42881 C CB . SER CA 11 16 ? 17.858 -16.214 3.641 1.00 51.82 ? 16 SER l CB 1 +ATOM 42882 O OG . SER CA 11 16 ? 18.306 -15.893 4.961 1.00 56.14 ? 16 SER l OG 1 +ATOM 42883 N N . LEU CA 11 17 ? 15.402 -17.148 1.735 1.00 47.77 ? 17 LEU l N 1 +ATOM 42884 C CA . LEU CA 11 17 ? 14.838 -17.439 0.422 1.00 48.56 ? 17 LEU l CA 1 +ATOM 42885 C C . LEU CA 11 17 ? 13.677 -16.504 0.106 1.00 45.92 ? 17 LEU l C 1 +ATOM 42886 O O . LEU CA 11 17 ? 13.632 -15.890 -0.963 1.00 45.12 ? 17 LEU l O 1 +ATOM 42887 C CB . LEU CA 11 17 ? 14.382 -18.897 0.360 1.00 44.88 ? 17 LEU l CB 1 +ATOM 42888 C CG . LEU CA 11 17 ? 13.604 -19.281 -0.902 1.00 52.97 ? 17 LEU l CG 1 +ATOM 42889 C CD1 . LEU CA 11 17 ? 14.542 -19.443 -2.112 1.00 46.32 ? 17 LEU l CD1 1 +ATOM 42890 C CD2 . LEU CA 11 17 ? 12.753 -20.530 -0.669 1.00 49.09 ? 17 LEU l CD2 1 +ATOM 42891 N N . TYR CA 11 18 ? 12.730 -16.381 1.038 1.00 43.96 ? 18 TYR l N 1 +ATOM 42892 C CA . TYR CA 11 18 ? 11.595 -15.489 0.843 1.00 46.59 ? 18 TYR l CA 1 +ATOM 42893 C C . TYR CA 11 18 ? 12.055 -14.052 0.642 1.00 51.97 ? 18 TYR l C 1 +ATOM 42894 O O . TYR CA 11 18 ? 11.549 -13.347 -0.240 1.00 54.13 ? 18 TYR l O 1 +ATOM 42895 C CB . TYR CA 11 18 ? 10.655 -15.573 2.046 1.00 47.16 ? 18 TYR l CB 1 +ATOM 42896 C CG . TYR CA 11 18 ? 9.884 -16.868 2.156 1.00 51.84 ? 18 TYR l CG 1 +ATOM 42897 C CD1 . TYR CA 11 18 ? 9.512 -17.593 1.019 1.00 49.22 ? 18 TYR l CD1 1 +ATOM 42898 C CD2 . TYR CA 11 18 ? 9.505 -17.357 3.392 1.00 50.56 ? 18 TYR l CD2 1 +ATOM 42899 C CE1 . TYR CA 11 18 ? 8.772 -18.777 1.131 1.00 47.40 ? 18 TYR l CE1 1 +ATOM 42900 C CE2 . TYR CA 11 18 ? 8.778 -18.527 3.512 1.00 53.72 ? 18 TYR l CE2 1 +ATOM 42901 C CZ . TYR CA 11 18 ? 8.416 -19.233 2.384 1.00 52.43 ? 18 TYR l CZ 1 +ATOM 42902 O OH . TYR CA 11 18 ? 7.698 -20.388 2.546 1.00 54.12 ? 18 TYR l OH 1 +ATOM 42903 N N A LEU CA 11 19 ? 13.020 -13.600 1.453 0.40 48.35 ? 19 LEU l N 1 +ATOM 42904 N N B LEU CA 11 19 ? 13.008 -13.596 1.461 0.60 48.38 ? 19 LEU l N 1 +ATOM 42905 C CA A LEU CA 11 19 ? 13.511 -12.235 1.324 0.40 46.35 ? 19 LEU l CA 1 +ATOM 42906 C CA B LEU CA 11 19 ? 13.526 -12.237 1.319 0.60 46.35 ? 19 LEU l CA 1 +ATOM 42907 C C A LEU CA 11 19 ? 14.192 -12.038 -0.016 0.40 49.60 ? 19 LEU l C 1 +ATOM 42908 C C B LEU CA 11 19 ? 14.183 -12.050 -0.035 0.60 49.69 ? 19 LEU l C 1 +ATOM 42909 O O A LEU CA 11 19 ? 13.988 -11.013 -0.679 0.40 47.78 ? 19 LEU l O 1 +ATOM 42910 O O B LEU CA 11 19 ? 13.953 -11.045 -0.717 0.60 47.80 ? 19 LEU l O 1 +ATOM 42911 C CB A LEU CA 11 19 ? 14.483 -11.906 2.455 0.40 47.33 ? 19 LEU l CB 1 +ATOM 42912 C CB B LEU CA 11 19 ? 14.523 -11.935 2.433 0.60 47.21 ? 19 LEU l CB 1 +ATOM 42913 C CG A LEU CA 11 19 ? 13.869 -11.576 3.820 0.40 54.31 ? 19 LEU l CG 1 +ATOM 42914 C CG B LEU CA 11 19 ? 13.892 -11.555 3.771 0.60 54.54 ? 19 LEU l CG 1 +ATOM 42915 C CD1 A LEU CA 11 19 ? 14.938 -11.610 4.906 0.40 47.83 ? 19 LEU l CD1 1 +ATOM 42916 C CD1 B LEU CA 11 19 ? 14.940 -11.539 4.867 0.60 47.85 ? 19 LEU l CD1 1 +ATOM 42917 C CD2 A LEU CA 11 19 ? 13.215 -10.216 3.758 0.40 43.71 ? 19 LEU l CD2 1 +ATOM 42918 C CD2 B LEU CA 11 19 ? 13.223 -10.200 3.629 0.60 43.28 ? 19 LEU l CD2 1 +ATOM 42919 N N . GLY CA 11 20 ? 15.010 -13.014 -0.437 1.00 47.32 ? 20 GLY l N 1 +ATOM 42920 C CA . GLY CA 11 20 ? 15.762 -12.860 -1.675 1.00 43.23 ? 20 GLY l CA 1 +ATOM 42921 C C . GLY CA 11 20 ? 14.880 -12.926 -2.903 1.00 48.76 ? 20 GLY l C 1 +ATOM 42922 O O . GLY CA 11 20 ? 15.053 -12.149 -3.843 1.00 45.97 ? 20 GLY l O 1 +ATOM 42923 N N . LEU CA 11 21 ? 13.919 -13.852 -2.911 1.00 46.47 ? 21 LEU l N 1 +ATOM 42924 C CA . LEU CA 11 21 ? 12.964 -13.904 -4.007 1.00 45.64 ? 21 LEU l CA 1 +ATOM 42925 C C . LEU CA 11 21 ? 12.171 -12.602 -4.120 1.00 43.65 ? 21 LEU l C 1 +ATOM 42926 O O . LEU CA 11 21 ? 11.927 -12.105 -5.234 1.00 44.53 ? 21 LEU l O 1 +ATOM 42927 C CB . LEU CA 11 21 ? 12.033 -15.105 -3.824 1.00 46.88 ? 21 LEU l CB 1 +ATOM 42928 C CG . LEU CA 11 21 ? 12.687 -16.479 -4.022 1.00 50.98 ? 21 LEU l CG 1 +ATOM 42929 C CD1 . LEU CA 11 21 ? 11.686 -17.574 -3.735 1.00 52.60 ? 21 LEU l CD1 1 +ATOM 42930 C CD2 . LEU CA 11 21 ? 13.277 -16.649 -5.439 1.00 49.82 ? 21 LEU l CD2 1 +ATOM 42931 N N . LEU CA 11 22 ? 11.773 -12.024 -2.981 1.00 41.99 ? 22 LEU l N 1 +ATOM 42932 C CA . LEU CA 11 22 ? 11.018 -10.771 -3.022 1.00 47.32 ? 22 LEU l CA 1 +ATOM 42933 C C . LEU CA 11 22 ? 11.863 -9.654 -3.617 1.00 44.85 ? 22 LEU l C 1 +ATOM 42934 O O . LEU CA 11 22 ? 11.381 -8.856 -4.429 1.00 47.89 ? 22 LEU l O 1 +ATOM 42935 C CB . LEU CA 11 22 ? 10.527 -10.395 -1.620 1.00 41.67 ? 22 LEU l CB 1 +ATOM 42936 C CG . LEU CA 11 22 ? 9.650 -9.131 -1.496 1.00 56.76 ? 22 LEU l CG 1 +ATOM 42937 C CD1 . LEU CA 11 22 ? 8.344 -9.301 -2.249 1.00 52.47 ? 22 LEU l CD1 1 +ATOM 42938 C CD2 . LEU CA 11 22 ? 9.382 -8.748 -0.014 1.00 54.02 ? 22 LEU l CD2 1 +ATOM 42939 N N . LEU CA 11 23 ? 13.134 -9.597 -3.232 1.00 45.52 ? 23 LEU l N 1 +ATOM 42940 C CA . LEU CA 11 23 ? 14.047 -8.626 -3.806 1.00 43.78 ? 23 LEU l CA 1 +ATOM 42941 C C . LEU CA 11 23 ? 14.168 -8.808 -5.319 1.00 46.34 ? 23 LEU l C 1 +ATOM 42942 O O . LEU CA 11 23 ? 14.077 -7.832 -6.070 1.00 46.74 ? 23 LEU l O 1 +ATOM 42943 C CB . LEU CA 11 23 ? 15.410 -8.731 -3.123 1.00 40.64 ? 23 LEU l CB 1 +ATOM 42944 C CG . LEU CA 11 23 ? 16.485 -7.854 -3.754 1.00 50.93 ? 23 LEU l CG 1 +ATOM 42945 C CD1 . LEU CA 11 23 ? 16.184 -6.353 -3.526 1.00 40.84 ? 23 LEU l CD1 1 +ATOM 42946 C CD2 . LEU CA 11 23 ? 17.833 -8.257 -3.193 1.00 53.42 ? 23 LEU l CD2 1 +ATOM 42947 N N . ILE CA 11 24 ? 14.359 -10.054 -5.787 1.00 42.88 ? 24 ILE l N 1 +ATOM 42948 C CA . ILE CA 11 24 ? 14.519 -10.288 -7.223 1.00 44.95 ? 24 ILE l CA 1 +ATOM 42949 C C . ILE CA 11 24 ? 13.244 -9.914 -7.971 1.00 45.37 ? 24 ILE l C 1 +ATOM 42950 O O . ILE CA 11 24 ? 13.288 -9.246 -9.006 1.00 46.27 ? 24 ILE l O 1 +ATOM 42951 C CB . ILE CA 11 24 ? 14.909 -11.751 -7.506 1.00 47.59 ? 24 ILE l CB 1 +ATOM 42952 C CG1 . ILE CA 11 24 ? 16.217 -12.125 -6.800 1.00 48.86 ? 24 ILE l CG1 1 +ATOM 42953 C CG2 . ILE CA 11 24 ? 15.014 -11.986 -9.015 1.00 41.11 ? 24 ILE l CG2 1 +ATOM 42954 C CD1 . ILE CA 11 24 ? 17.321 -11.101 -7.024 1.00 59.47 ? 24 ILE l CD1 1 +ATOM 42955 N N . LEU CA 11 25 ? 12.084 -10.326 -7.447 1.00 46.44 ? 25 LEU l N 1 +ATOM 42956 C CA . LEU CA 11 25 ? 10.832 -10.075 -8.154 1.00 46.54 ? 25 LEU l CA 1 +ATOM 42957 C C . LEU CA 11 25 ? 10.489 -8.590 -8.193 1.00 44.41 ? 25 LEU l C 1 +ATOM 42958 O O . LEU CA 11 25 ? 9.951 -8.105 -9.189 1.00 50.42 ? 25 LEU l O 1 +ATOM 42959 C CB . LEU CA 11 25 ? 9.693 -10.865 -7.516 1.00 41.54 ? 25 LEU l CB 1 +ATOM 42960 C CG . LEU CA 11 25 ? 9.807 -12.384 -7.723 1.00 47.19 ? 25 LEU l CG 1 +ATOM 42961 C CD1 . LEU CA 11 25 ? 8.747 -13.113 -6.905 1.00 41.76 ? 25 LEU l CD1 1 +ATOM 42962 C CD2 . LEU CA 11 25 ? 9.725 -12.731 -9.227 1.00 47.31 ? 25 LEU l CD2 1 +ATOM 42963 N N . VAL CA 11 26 ? 10.786 -7.853 -7.126 1.00 42.67 ? 26 VAL l N 1 +ATOM 42964 C CA . VAL CA 11 26 ? 10.466 -6.431 -7.107 1.00 40.13 ? 26 VAL l CA 1 +ATOM 42965 C C . VAL CA 11 26 ? 11.440 -5.657 -7.992 1.00 48.60 ? 26 VAL l C 1 +ATOM 42966 O O . VAL CA 11 26 ? 11.044 -4.732 -8.703 1.00 43.28 ? 26 VAL l O 1 +ATOM 42967 C CB . VAL CA 11 26 ? 10.439 -5.901 -5.656 1.00 49.31 ? 26 VAL l CB 1 +ATOM 42968 C CG1 . VAL CA 11 26 ? 10.340 -4.391 -5.618 1.00 47.92 ? 26 VAL l CG1 1 +ATOM 42969 C CG2 . VAL CA 11 26 ? 9.257 -6.518 -4.882 1.00 48.60 ? 26 VAL l CG2 1 +ATOM 42970 N N . LEU CA 11 27 ? 12.719 -6.037 -7.982 1.00 44.41 ? 27 LEU l N 1 +ATOM 42971 C CA . LEU CA 11 27 ? 13.672 -5.409 -8.892 1.00 45.91 ? 27 LEU l CA 1 +ATOM 42972 C C . LEU CA 11 27 ? 13.253 -5.613 -10.342 1.00 45.30 ? 27 LEU l C 1 +ATOM 42973 O O . LEU CA 11 27 ? 13.296 -4.679 -11.145 1.00 43.63 ? 27 LEU l O 1 +ATOM 42974 C CB . LEU CA 11 27 ? 15.078 -5.968 -8.647 1.00 43.49 ? 27 LEU l CB 1 +ATOM 42975 C CG . LEU CA 11 27 ? 15.786 -5.383 -7.408 1.00 47.42 ? 27 LEU l CG 1 +ATOM 42976 C CD1 . LEU CA 11 27 ? 17.132 -6.063 -7.187 1.00 56.08 ? 27 LEU l CD1 1 +ATOM 42977 C CD2 . LEU CA 11 27 ? 15.990 -3.899 -7.599 1.00 48.35 ? 27 LEU l CD2 1 +ATOM 42978 N N . ALA CA 11 28 ? 12.852 -6.843 -10.686 1.00 49.06 ? 28 ALA l N 1 +ATOM 42979 C CA . ALA CA 11 28 ? 12.381 -7.153 -12.030 1.00 50.18 ? 28 ALA l CA 1 +ATOM 42980 C C . ALA CA 11 28 ? 11.152 -6.332 -12.389 1.00 44.45 ? 28 ALA l C 1 +ATOM 42981 O O . ALA CA 11 28 ? 11.017 -5.858 -13.523 1.00 46.00 ? 28 ALA l O 1 +ATOM 42982 C CB . ALA CA 11 28 ? 12.050 -8.644 -12.123 1.00 45.73 ? 28 ALA l CB 1 +ATOM 42983 N N . LEU CA 11 29 ? 10.213 -6.224 -11.452 1.00 44.39 ? 29 LEU l N 1 +ATOM 42984 C CA . LEU CA 11 29 ? 9.019 -5.434 -11.683 1.00 44.71 ? 29 LEU l CA 1 +ATOM 42985 C C . LEU CA 11 29 ? 9.385 -3.974 -11.898 1.00 50.65 ? 29 LEU l C 1 +ATOM 42986 O O . LEU CA 11 29 ? 8.736 -3.277 -12.686 1.00 53.16 ? 29 LEU l O 1 +ATOM 42987 C CB . LEU CA 11 29 ? 8.068 -5.603 -10.484 1.00 50.36 ? 29 LEU l CB 1 +ATOM 42988 C CG . LEU CA 11 29 ? 6.631 -5.071 -10.570 1.00 52.07 ? 29 LEU l CG 1 +ATOM 42989 C CD1 . LEU CA 11 29 ? 5.920 -5.684 -11.775 1.00 56.18 ? 29 LEU l CD1 1 +ATOM 42990 C CD2 . LEU CA 11 29 ? 5.848 -5.335 -9.308 1.00 55.15 ? 29 LEU l CD2 1 +ATOM 42991 N N . LEU CA 11 30 ? 10.442 -3.511 -11.220 1.00 49.49 ? 30 LEU l N 1 +ATOM 42992 C CA . LEU CA 11 30 ? 10.892 -2.134 -11.339 1.00 41.86 ? 30 LEU l CA 1 +ATOM 42993 C C . LEU CA 11 30 ? 11.572 -1.886 -12.685 1.00 48.76 ? 30 LEU l C 1 +ATOM 42994 O O . LEU CA 11 30 ? 11.228 -0.944 -13.409 1.00 46.67 ? 30 LEU l O 1 +ATOM 42995 C CB . LEU CA 11 30 ? 11.843 -1.800 -10.191 1.00 43.63 ? 30 LEU l CB 1 +ATOM 42996 C CG . LEU CA 11 30 ? 12.478 -0.406 -10.311 1.00 50.77 ? 30 LEU l CG 1 +ATOM 42997 C CD1 . LEU CA 11 30 ? 11.405 0.666 -10.333 1.00 46.44 ? 30 LEU l CD1 1 +ATOM 42998 C CD2 . LEU CA 11 30 ? 13.455 -0.149 -9.175 1.00 43.88 ? 30 LEU l CD2 1 +ATOM 42999 N N . PHE CA 11 31 ? 12.529 -2.736 -13.042 1.00 43.94 ? 31 PHE l N 1 +ATOM 43000 C CA . PHE CA 11 31 ? 13.366 -2.508 -14.207 1.00 50.03 ? 31 PHE l CA 1 +ATOM 43001 C C . PHE CA 11 31 ? 12.757 -2.976 -15.529 1.00 50.17 ? 31 PHE l C 1 +ATOM 43002 O O . PHE CA 11 31 ? 13.261 -2.581 -16.592 1.00 44.17 ? 31 PHE l O 1 +ATOM 43003 C CB . PHE CA 11 31 ? 14.729 -3.179 -13.976 1.00 43.46 ? 31 PHE l CB 1 +ATOM 43004 C CG . PHE CA 11 31 ? 15.675 -2.313 -13.180 1.00 53.31 ? 31 PHE l CG 1 +ATOM 43005 C CD1 . PHE CA 11 31 ? 16.443 -1.348 -13.807 1.00 50.34 ? 31 PHE l CD1 1 +ATOM 43006 C CD2 . PHE CA 11 31 ? 15.752 -2.428 -11.796 1.00 50.73 ? 31 PHE l CD2 1 +ATOM 43007 C CE1 . PHE CA 11 31 ? 17.304 -0.536 -13.075 1.00 55.53 ? 31 PHE l CE1 1 +ATOM 43008 C CE2 . PHE CA 11 31 ? 16.611 -1.597 -11.060 1.00 57.55 ? 31 PHE l CE2 1 +ATOM 43009 C CZ . PHE CA 11 31 ? 17.385 -0.655 -11.712 1.00 45.90 ? 31 PHE l CZ 1 +ATOM 43010 N N . SER CA 11 32 ? 11.700 -3.802 -15.507 1.00 49.45 ? 32 SER l N 1 +ATOM 43011 C CA . SER CA 11 32 ? 11.223 -4.397 -16.763 1.00 47.63 ? 32 SER l CA 1 +ATOM 43012 C C . SER CA 11 32 ? 10.705 -3.341 -17.739 1.00 40.30 ? 32 SER l C 1 +ATOM 43013 O O . SER CA 11 32 ? 10.928 -3.455 -18.945 1.00 45.10 ? 32 SER l O 1 +ATOM 43014 C CB . SER CA 11 32 ? 10.145 -5.451 -16.485 1.00 45.00 ? 32 SER l CB 1 +ATOM 43015 O OG . SER CA 11 32 ? 9.125 -4.914 -15.649 1.00 48.09 ? 32 SER l OG 1 +ATOM 43016 N N . SER CA 11 33 ? 9.996 -2.320 -17.247 1.00 44.66 ? 33 SER l N 1 +ATOM 43017 C CA . SER CA 11 33 ? 9.512 -1.252 -18.127 1.00 42.28 ? 33 SER l CA 1 +ATOM 43018 C C . SER CA 11 33 ? 10.660 -0.588 -18.882 1.00 46.20 ? 33 SER l C 1 +ATOM 43019 O O . SER CA 11 33 ? 10.510 -0.200 -20.046 1.00 44.65 ? 33 SER l O 1 +ATOM 43020 C CB . SER CA 11 33 ? 8.758 -0.184 -17.322 1.00 40.18 ? 33 SER l CB 1 +ATOM 43021 O OG . SER CA 11 33 ? 7.617 -0.704 -16.659 1.00 46.18 ? 33 SER l OG 1 +ATOM 43022 N N . TYR CA 11 34 ? 11.802 -0.407 -18.216 1.00 44.15 ? 34 TYR l N 1 +ATOM 43023 C CA . TYR CA 11 34 ? 12.941 0.248 -18.847 1.00 43.22 ? 34 TYR l CA 1 +ATOM 43024 C C . TYR CA 11 34 ? 13.645 -0.671 -19.816 1.00 41.35 ? 34 TYR l C 1 +ATOM 43025 O O . TYR CA 11 34 ? 14.225 -0.183 -20.789 1.00 41.77 ? 34 TYR l O 1 +ATOM 43026 C CB . TYR CA 11 34 ? 13.928 0.745 -17.783 1.00 47.40 ? 34 TYR l CB 1 +ATOM 43027 C CG . TYR CA 11 34 ? 13.265 1.713 -16.829 1.00 49.43 ? 34 TYR l CG 1 +ATOM 43028 C CD1 . TYR CA 11 34 ? 13.199 3.076 -17.128 1.00 38.26 ? 34 TYR l CD1 1 +ATOM 43029 C CD2 . TYR CA 11 34 ? 12.668 1.256 -15.638 1.00 40.69 ? 34 TYR l CD2 1 +ATOM 43030 C CE1 . TYR CA 11 34 ? 12.553 3.969 -16.275 1.00 42.35 ? 34 TYR l CE1 1 +ATOM 43031 C CE2 . TYR CA 11 34 ? 12.042 2.140 -14.774 1.00 44.20 ? 34 TYR l CE2 1 +ATOM 43032 C CZ . TYR CA 11 34 ? 11.988 3.491 -15.093 1.00 46.34 ? 34 TYR l CZ 1 +ATOM 43033 O OH . TYR CA 11 34 ? 11.358 4.365 -14.240 1.00 49.16 ? 34 TYR l OH 1 +ATOM 43034 N N . PHE CA 11 35 ? 13.615 -1.996 -19.560 1.00 49.26 ? 35 PHE l N 1 +ATOM 43035 C CA . PHE CA 11 35 ? 14.146 -2.966 -20.525 1.00 49.16 ? 35 PHE l CA 1 +ATOM 43036 C C . PHE CA 11 35 ? 13.300 -3.007 -21.791 1.00 44.52 ? 35 PHE l C 1 +ATOM 43037 O O . PHE CA 11 35 ? 13.832 -3.129 -22.898 1.00 44.37 ? 35 PHE l O 1 +ATOM 43038 C CB . PHE CA 11 35 ? 14.204 -4.377 -19.913 1.00 49.89 ? 35 PHE l CB 1 +ATOM 43039 C CG . PHE CA 11 35 ? 15.160 -4.515 -18.751 1.00 51.72 ? 35 PHE l CG 1 +ATOM 43040 C CD1 . PHE CA 11 35 ? 16.091 -3.522 -18.465 1.00 52.64 ? 35 PHE l CD1 1 +ATOM 43041 C CD2 . PHE CA 11 35 ? 15.119 -5.643 -17.948 1.00 54.44 ? 35 PHE l CD2 1 +ATOM 43042 C CE1 . PHE CA 11 35 ? 16.956 -3.647 -17.404 1.00 50.22 ? 35 PHE l CE1 1 +ATOM 43043 C CE2 . PHE CA 11 35 ? 15.991 -5.784 -16.868 1.00 55.11 ? 35 PHE l CE2 1 +ATOM 43044 C CZ . PHE CA 11 35 ? 16.906 -4.786 -16.598 1.00 58.69 ? 35 PHE l CZ 1 +ATOM 43045 N N . PHE CA 11 36 ? 11.974 -2.992 -21.646 1.00 48.46 ? 36 PHE l N 1 +ATOM 43046 C CA . PHE CA 11 36 ? 11.130 -2.951 -22.833 1.00 45.05 ? 36 PHE l CA 1 +ATOM 43047 C C . PHE CA 11 36 ? 11.209 -1.583 -23.493 1.00 57.84 ? 36 PHE l C 1 +ATOM 43048 O O . PHE CA 11 36 ? 11.199 -1.488 -24.728 1.00 46.81 ? 36 PHE l O 1 +ATOM 43049 C CB . PHE CA 11 36 ? 9.685 -3.283 -22.469 1.00 45.24 ? 36 PHE l CB 1 +ATOM 43050 C CG . PHE CA 11 36 ? 9.423 -4.747 -22.279 1.00 51.19 ? 36 PHE l CG 1 +ATOM 43051 C CD1 . PHE CA 11 36 ? 9.544 -5.635 -23.352 1.00 48.37 ? 36 PHE l CD1 1 +ATOM 43052 C CD2 . PHE CA 11 36 ? 9.033 -5.242 -21.036 1.00 45.91 ? 36 PHE l CD2 1 +ATOM 43053 C CE1 . PHE CA 11 36 ? 9.288 -6.992 -23.169 1.00 51.67 ? 36 PHE l CE1 1 +ATOM 43054 C CE2 . PHE CA 11 36 ? 8.790 -6.594 -20.842 1.00 43.55 ? 36 PHE l CE2 1 +ATOM 43055 C CZ . PHE CA 11 36 ? 8.911 -7.465 -21.905 1.00 48.15 ? 36 PHE l CZ 1 +ATOM 43056 N N . ASN CA 11 37 ? 11.297 -0.516 -22.673 1.00 46.74 ? 37 ASN l N 1 +ATOM 43057 C CA . ASN CA 11 37 ? 11.454 0.867 -23.137 1.00 45.31 ? 37 ASN l CA 1 +ATOM 43058 C C . ASN CA 11 37 ? 10.377 1.278 -24.131 1.00 46.14 ? 37 ASN l C 1 +ATOM 43059 O O . ASN CA 11 37 ? 10.659 1.828 -25.202 1.00 43.38 ? 37 ASN l O 1 +ATOM 43060 C CB . ASN CA 11 37 ? 12.839 1.070 -23.750 1.00 44.64 ? 37 ASN l CB 1 +ATOM 43061 C CG . ASN CA 11 37 ? 13.252 2.545 -23.820 1.00 49.93 ? 37 ASN l CG 1 +ATOM 43062 O OD1 . ASN CA 11 37 ? 12.520 3.438 -23.396 1.00 49.02 ? 37 ASN l OD1 1 +ATOM 43063 N ND2 . ASN CA 11 37 ? 14.439 2.798 -24.367 1.00 53.37 ? 37 ASN l ND2 1 +ATOM 43064 O OXT . ASN CA 11 37 ? 9.194 1.095 -23.857 1.00 45.83 ? 37 ASN l OXT 1 +HETATM 43065 N N . FME DA 12 1 ? 2.597 -1.722 -29.182 1.00 81.15 ? 1 FME m N 1 +HETATM 43066 C CN . FME DA 12 1 ? 1.829 -1.526 -30.246 1.00 88.10 ? 1 FME m CN 1 +HETATM 43067 O O1 . FME DA 12 1 ? 1.713 -0.388 -30.682 1.00 122.27 ? 1 FME m O1 1 +HETATM 43068 C CA . FME DA 12 1 ? 3.663 -0.782 -28.892 1.00 62.14 ? 1 FME m CA 1 +HETATM 43069 C CB . FME DA 12 1 ? 3.719 -0.525 -27.396 1.00 63.44 ? 1 FME m CB 1 +HETATM 43070 C CG . FME DA 12 1 ? 2.368 -0.131 -26.801 1.00 69.10 ? 1 FME m CG 1 +HETATM 43071 S SD . FME DA 12 1 ? 1.836 1.488 -27.269 1.00 64.19 ? 1 FME m SD 1 +HETATM 43072 C CE . FME DA 12 1 ? 2.766 2.449 -26.118 1.00 53.41 ? 1 FME m CE 1 +HETATM 43073 C C . FME DA 12 1 ? 4.990 -1.295 -29.404 1.00 55.15 ? 1 FME m C 1 +HETATM 43074 O O . FME DA 12 1 ? 5.232 -2.509 -29.368 1.00 62.34 ? 1 FME m O 1 +ATOM 43075 N N . GLU DA 12 2 ? 5.864 -0.419 -29.874 1.00 50.37 ? 2 GLU m N 1 +ATOM 43076 C CA . GLU DA 12 2 ? 7.158 -0.862 -30.362 1.00 56.36 ? 2 GLU m CA 1 +ATOM 43077 C C . GLU DA 12 2 ? 8.200 -0.927 -29.262 1.00 55.20 ? 2 GLU m C 1 +ATOM 43078 O O . GLU DA 12 2 ? 9.076 -0.065 -29.168 1.00 53.47 ? 2 GLU m O 1 +ATOM 43079 C CB . GLU DA 12 2 ? 7.641 0.060 -31.478 1.00 56.60 ? 2 GLU m CB 1 +ATOM 43080 C CG . GLU DA 12 2 ? 6.727 0.006 -32.696 1.00 78.51 ? 2 GLU m CG 1 +ATOM 43081 C CD . GLU DA 12 2 ? 7.373 0.620 -33.909 1.00 99.15 ? 2 GLU m CD 1 +ATOM 43082 O OE1 . GLU DA 12 2 ? 8.593 0.387 -34.104 1.00 86.13 ? 2 GLU m OE1 1 +ATOM 43083 O OE2 . GLU DA 12 2 ? 6.667 1.343 -34.653 1.00 92.04 ? 2 GLU m OE2 1 +ATOM 43084 N N . VAL DA 12 3 ? 8.109 -1.964 -28.434 1.00 55.01 ? 3 VAL m N 1 +ATOM 43085 C CA . VAL DA 12 3 ? 9.038 -2.125 -27.324 1.00 53.52 ? 3 VAL m CA 1 +ATOM 43086 C C . VAL DA 12 3 ? 10.298 -2.780 -27.858 1.00 55.56 ? 3 VAL m C 1 +ATOM 43087 O O . VAL DA 12 3 ? 10.333 -3.218 -29.006 1.00 51.16 ? 3 VAL m O 1 +ATOM 43088 C CB . VAL DA 12 3 ? 8.417 -2.957 -26.195 1.00 61.62 ? 3 VAL m CB 1 +ATOM 43089 C CG1 . VAL DA 12 3 ? 7.230 -2.209 -25.583 1.00 49.96 ? 3 VAL m CG1 1 +ATOM 43090 C CG2 . VAL DA 12 3 ? 8.013 -4.322 -26.752 1.00 48.51 ? 3 VAL m CG2 1 +ATOM 43091 N N . ASN DA 12 4 ? 11.356 -2.809 -27.053 1.00 54.28 ? 4 ASN m N 1 +ATOM 43092 C CA . ASN DA 12 4 ? 12.567 -3.519 -27.437 1.00 49.73 ? 4 ASN m CA 1 +ATOM 43093 C C . ASN DA 12 4 ? 12.339 -5.017 -27.221 1.00 51.80 ? 4 ASN m C 1 +ATOM 43094 O O . ASN DA 12 4 ? 11.955 -5.442 -26.130 1.00 54.94 ? 4 ASN m O 1 +ATOM 43095 C CB . ASN DA 12 4 ? 13.755 -2.979 -26.631 1.00 48.38 ? 4 ASN m CB 1 +ATOM 43096 C CG . ASN DA 12 4 ? 15.043 -3.773 -26.841 1.00 61.77 ? 4 ASN m CG 1 +ATOM 43097 O OD1 . ASN DA 12 4 ? 15.106 -4.706 -27.633 1.00 67.23 ? 4 ASN m OD1 1 +ATOM 43098 N ND2 . ASN DA 12 4 ? 16.082 -3.395 -26.109 1.00 87.64 ? 4 ASN m ND2 1 +ATOM 43099 N N A GLN DA 12 5 ? 12.574 -5.814 -28.274 0.50 61.46 ? 5 GLN m N 1 +ATOM 43100 N N B GLN DA 12 5 ? 12.559 -5.804 -28.273 0.50 61.45 ? 5 GLN m N 1 +ATOM 43101 C CA A GLN DA 12 5 ? 12.253 -7.238 -28.217 0.50 66.69 ? 5 GLN m CA 1 +ATOM 43102 C CA B GLN DA 12 5 ? 12.276 -7.236 -28.226 0.50 66.71 ? 5 GLN m CA 1 +ATOM 43103 C C A GLN DA 12 5 ? 13.132 -7.980 -27.221 0.50 63.20 ? 5 GLN m C 1 +ATOM 43104 C C B GLN DA 12 5 ? 13.120 -7.935 -27.176 0.50 63.26 ? 5 GLN m C 1 +ATOM 43105 O O A GLN DA 12 5 ? 12.674 -8.939 -26.588 0.50 59.64 ? 5 GLN m O 1 +ATOM 43106 O O B GLN DA 12 5 ? 12.626 -8.805 -26.448 0.50 59.39 ? 5 GLN m O 1 +ATOM 43107 C CB A GLN DA 12 5 ? 12.404 -7.866 -29.606 0.50 81.79 ? 5 GLN m CB 1 +ATOM 43108 C CB B GLN DA 12 5 ? 12.529 -7.854 -29.599 0.50 81.80 ? 5 GLN m CB 1 +ATOM 43109 C CG A GLN DA 12 5 ? 11.498 -7.289 -30.691 0.50 91.14 ? 5 GLN m CG 1 +ATOM 43110 C CG B GLN DA 12 5 ? 13.598 -7.110 -30.413 0.50 77.05 ? 5 GLN m CG 1 +ATOM 43111 C CD A GLN DA 12 5 ? 10.091 -7.844 -30.625 0.50 69.10 ? 5 GLN m CD 1 +ATOM 43112 C CD B GLN DA 12 5 ? 13.020 -5.939 -31.180 0.50 81.58 ? 5 GLN m CD 1 +ATOM 43113 O OE1 A GLN DA 12 5 ? 9.313 -7.477 -29.747 0.50 80.16 ? 5 GLN m OE1 1 +ATOM 43114 O OE1 B GLN DA 12 5 ? 12.142 -6.119 -32.030 0.50 96.81 ? 5 GLN m OE1 1 +ATOM 43115 N NE2 A GLN DA 12 5 ? 9.762 -8.742 -31.547 0.50 80.68 ? 5 GLN m NE2 1 +ATOM 43116 N NE2 B GLN DA 12 5 ? 13.505 -4.735 -30.886 0.50 52.32 ? 5 GLN m NE2 1 +ATOM 43117 N N . LEU DA 12 6 ? 14.398 -7.565 -27.082 1.00 49.71 ? 6 LEU m N 1 +ATOM 43118 C CA . LEU DA 12 6 ? 15.281 -8.149 -26.080 1.00 54.63 ? 6 LEU m CA 1 +ATOM 43119 C C . LEU DA 12 6 ? 14.813 -7.902 -24.656 1.00 43.98 ? 6 LEU m C 1 +ATOM 43120 O O . LEU DA 12 6 ? 15.335 -8.548 -23.740 1.00 51.72 ? 6 LEU m O 1 +ATOM 43121 C CB . LEU DA 12 6 ? 16.711 -7.622 -26.238 1.00 50.91 ? 6 LEU m CB 1 +ATOM 43122 C CG . LEU DA 12 6 ? 17.394 -8.155 -27.502 1.00 65.10 ? 6 LEU m CG 1 +ATOM 43123 C CD1 . LEU DA 12 6 ? 18.811 -7.632 -27.624 1.00 77.48 ? 6 LEU m CD1 1 +ATOM 43124 C CD2 . LEU DA 12 6 ? 17.376 -9.681 -27.536 1.00 49.56 ? 6 LEU m CD2 1 +ATOM 43125 N N . GLY DA 12 7 ? 13.844 -7.004 -24.444 1.00 46.23 ? 7 GLY m N 1 +ATOM 43126 C CA . GLY DA 12 7 ? 13.330 -6.783 -23.109 1.00 44.39 ? 7 GLY m CA 1 +ATOM 43127 C C . GLY DA 12 7 ? 12.771 -8.043 -22.474 1.00 52.88 ? 7 GLY m C 1 +ATOM 43128 O O . GLY DA 12 7 ? 12.869 -8.227 -21.258 1.00 49.21 ? 7 GLY m O 1 +ATOM 43129 N N . LEU DA 12 8 ? 12.190 -8.928 -23.287 1.00 41.62 ? 8 LEU m N 1 +ATOM 43130 C CA . LEU DA 12 8 ? 11.576 -10.148 -22.765 1.00 48.28 ? 8 LEU m CA 1 +ATOM 43131 C C . LEU DA 12 8 ? 12.621 -11.107 -22.207 1.00 47.90 ? 8 LEU m C 1 +ATOM 43132 O O . LEU DA 12 8 ? 12.507 -11.578 -21.066 1.00 48.28 ? 8 LEU m O 1 +ATOM 43133 C CB . LEU DA 12 8 ? 10.775 -10.837 -23.870 1.00 41.62 ? 8 LEU m CB 1 +ATOM 43134 C CG . LEU DA 12 8 ? 10.140 -12.169 -23.489 1.00 47.99 ? 8 LEU m CG 1 +ATOM 43135 C CD1 . LEU DA 12 8 ? 9.220 -11.982 -22.295 1.00 51.84 ? 8 LEU m CD1 1 +ATOM 43136 C CD2 . LEU DA 12 8 ? 9.365 -12.762 -24.704 1.00 46.17 ? 8 LEU m CD2 1 +ATOM 43137 N N . ILE DA 12 9 ? 13.634 -11.440 -23.013 1.00 42.38 ? 9 ILE m N 1 +ATOM 43138 C CA . ILE DA 12 9 ? 14.650 -12.343 -22.503 1.00 44.00 ? 9 ILE m CA 1 +ATOM 43139 C C . ILE DA 12 9 ? 15.457 -11.669 -21.398 1.00 44.51 ? 9 ILE m C 1 +ATOM 43140 O O . ILE DA 12 9 ? 15.856 -12.325 -20.434 1.00 47.30 ? 9 ILE m O 1 +ATOM 43141 C CB . ILE DA 12 9 ? 15.554 -12.867 -23.637 1.00 47.70 ? 9 ILE m CB 1 +ATOM 43142 C CG1 . ILE DA 12 9 ? 16.516 -13.925 -23.050 1.00 56.19 ? 9 ILE m CG1 1 +ATOM 43143 C CG2 . ILE DA 12 9 ? 16.321 -11.715 -24.280 1.00 43.00 ? 9 ILE m CG2 1 +ATOM 43144 C CD1 . ILE DA 12 9 ? 16.665 -15.146 -23.836 1.00 54.89 ? 9 ILE m CD1 1 +ATOM 43145 N N . ALA DA 12 10 ? 15.695 -10.358 -21.497 1.00 40.56 ? 10 ALA m N 1 +ATOM 43146 C CA . ALA DA 12 10 ? 16.413 -9.666 -20.432 1.00 48.11 ? 10 ALA m CA 1 +ATOM 43147 C C . ALA DA 12 10 ? 15.670 -9.803 -19.110 1.00 50.74 ? 10 ALA m C 1 +ATOM 43148 O O . ALA DA 12 10 ? 16.270 -10.130 -18.078 1.00 45.81 ? 10 ALA m O 1 +ATOM 43149 C CB . ALA DA 12 10 ? 16.616 -8.186 -20.792 1.00 43.23 ? 10 ALA m CB 1 +ATOM 43150 N N . THR DA 12 11 ? 14.352 -9.576 -19.130 1.00 42.29 ? 11 THR m N 1 +ATOM 43151 C CA . THR DA 12 11 ? 13.556 -9.683 -17.908 1.00 43.83 ? 11 THR m CA 1 +ATOM 43152 C C . THR DA 12 11 ? 13.487 -11.122 -17.403 1.00 47.61 ? 11 THR m C 1 +ATOM 43153 O O . THR DA 12 11 ? 13.544 -11.360 -16.190 1.00 46.32 ? 11 THR m O 1 +ATOM 43154 C CB . THR DA 12 11 ? 12.136 -9.152 -18.140 1.00 44.27 ? 11 THR m CB 1 +ATOM 43155 O OG1 . THR DA 12 11 ? 12.200 -7.798 -18.587 1.00 42.70 ? 11 THR m OG1 1 +ATOM 43156 C CG2 . THR DA 12 11 ? 11.336 -9.223 -16.841 1.00 39.54 ? 11 THR m CG2 1 +ATOM 43157 N N . ALA DA 12 12 ? 13.328 -12.087 -18.316 1.00 42.36 ? 12 ALA m N 1 +ATOM 43158 C CA . ALA DA 12 12 ? 13.170 -13.480 -17.903 1.00 46.04 ? 12 ALA m CA 1 +ATOM 43159 C C . ALA DA 12 12 ? 14.426 -13.985 -17.214 1.00 41.25 ? 12 ALA m C 1 +ATOM 43160 O O . ALA DA 12 12 ? 14.348 -14.674 -16.199 1.00 50.95 ? 12 ALA m O 1 +ATOM 43161 C CB . ALA DA 12 12 ? 12.830 -14.368 -19.110 1.00 42.63 ? 12 ALA m CB 1 +ATOM 43162 N N . LEU DA 12 13 ? 15.599 -13.686 -17.779 1.00 46.62 ? 13 LEU m N 1 +ATOM 43163 C CA . LEU DA 12 13 ? 16.840 -14.157 -17.166 1.00 50.65 ? 13 LEU m CA 1 +ATOM 43164 C C . LEU DA 12 13 ? 17.140 -13.394 -15.881 1.00 50.69 ? 13 LEU m C 1 +ATOM 43165 O O . LEU DA 12 13 ? 17.684 -13.967 -14.931 1.00 49.71 ? 13 LEU m O 1 +ATOM 43166 C CB . LEU DA 12 13 ? 18.003 -14.033 -18.155 1.00 45.85 ? 13 LEU m CB 1 +ATOM 43167 C CG . LEU DA 12 13 ? 17.975 -14.946 -19.383 1.00 46.09 ? 13 LEU m CG 1 +ATOM 43168 C CD1 . LEU DA 12 13 ? 19.208 -14.766 -20.266 1.00 52.59 ? 13 LEU m CD1 1 +ATOM 43169 C CD2 . LEU DA 12 13 ? 17.866 -16.386 -18.932 1.00 51.72 ? 13 LEU m CD2 1 +ATOM 43170 N N . PHE DA 12 14 ? 16.784 -12.104 -15.846 1.00 53.25 ? 14 PHE m N 1 +ATOM 43171 C CA . PHE DA 12 14 ? 16.920 -11.309 -14.633 1.00 49.13 ? 14 PHE m CA 1 +ATOM 43172 C C . PHE DA 12 14 ? 16.182 -11.954 -13.474 1.00 49.63 ? 14 PHE m C 1 +ATOM 43173 O O . PHE DA 12 14 ? 16.707 -12.012 -12.359 1.00 51.44 ? 14 PHE m O 1 +ATOM 43174 C CB . PHE DA 12 14 ? 16.396 -9.892 -14.883 1.00 56.41 ? 14 PHE m CB 1 +ATOM 43175 C CG . PHE DA 12 14 ? 16.685 -8.930 -13.784 1.00 49.22 ? 14 PHE m CG 1 +ATOM 43176 C CD1 . PHE DA 12 14 ? 15.954 -8.960 -12.599 1.00 63.65 ? 14 PHE m CD1 1 +ATOM 43177 C CD2 . PHE DA 12 14 ? 17.685 -7.981 -13.927 1.00 63.00 ? 14 PHE m CD2 1 +ATOM 43178 C CE1 . PHE DA 12 14 ? 16.228 -8.074 -11.558 1.00 67.01 ? 14 PHE m CE1 1 +ATOM 43179 C CE2 . PHE DA 12 14 ? 17.953 -7.071 -12.893 1.00 66.03 ? 14 PHE m CE2 1 +ATOM 43180 C CZ . PHE DA 12 14 ? 17.224 -7.121 -11.718 1.00 63.82 ? 14 PHE m CZ 1 +ATOM 43181 N N . VAL DA 12 15 ? 14.963 -12.442 -13.712 1.00 46.08 ? 15 VAL m N 1 +ATOM 43182 C CA . VAL DA 12 15 ? 14.234 -13.164 -12.671 1.00 50.87 ? 15 VAL m CA 1 +ATOM 43183 C C . VAL DA 12 15 ? 14.844 -14.543 -12.427 1.00 50.95 ? 15 VAL m C 1 +ATOM 43184 O O . VAL DA 12 15 ? 15.109 -14.919 -11.285 1.00 52.17 ? 15 VAL m O 1 +ATOM 43185 C CB . VAL DA 12 15 ? 12.744 -13.298 -13.034 1.00 54.72 ? 15 VAL m CB 1 +ATOM 43186 C CG1 . VAL DA 12 15 ? 12.047 -14.229 -12.042 1.00 45.96 ? 15 VAL m CG1 1 +ATOM 43187 C CG2 . VAL DA 12 15 ? 12.070 -11.956 -13.092 1.00 45.67 ? 15 VAL m CG2 1 +ATOM 43188 N N A LEU DA 12 16 ? 15.087 -15.316 -13.494 0.50 43.88 ? 16 LEU m N 1 +ATOM 43189 N N B LEU DA 12 16 ? 15.079 -15.302 -13.498 0.50 43.88 ? 16 LEU m N 1 +ATOM 43190 C CA A LEU DA 12 16 ? 15.281 -16.756 -13.343 0.50 48.17 ? 16 LEU m CA 1 +ATOM 43191 C CA B LEU DA 12 16 ? 15.283 -16.741 -13.359 0.50 48.18 ? 16 LEU m CA 1 +ATOM 43192 C C A LEU DA 12 16 ? 16.641 -17.098 -12.745 0.50 45.12 ? 16 LEU m C 1 +ATOM 43193 C C B LEU DA 12 16 ? 16.629 -17.068 -12.721 0.50 45.10 ? 16 LEU m C 1 +ATOM 43194 O O A LEU DA 12 16 ? 16.738 -17.991 -11.898 0.50 45.97 ? 16 LEU m O 1 +ATOM 43195 O O B LEU DA 12 16 ? 16.708 -17.917 -11.829 0.50 46.08 ? 16 LEU m O 1 +ATOM 43196 C CB A LEU DA 12 16 ? 15.106 -17.450 -14.693 0.50 46.92 ? 16 LEU m CB 1 +ATOM 43197 C CB B LEU DA 12 16 ? 15.165 -17.415 -14.723 0.50 46.96 ? 16 LEU m CB 1 +ATOM 43198 C CG A LEU DA 12 16 ? 13.744 -18.068 -15.036 0.50 62.79 ? 16 LEU m CG 1 +ATOM 43199 C CG B LEU DA 12 16 ? 15.107 -18.937 -14.704 0.50 57.30 ? 16 LEU m CG 1 +ATOM 43200 C CD1 A LEU DA 12 16 ? 12.613 -17.508 -14.187 0.50 58.76 ? 16 LEU m CD1 1 +ATOM 43201 C CD1 B LEU DA 12 16 ? 13.868 -19.373 -13.924 0.50 56.92 ? 16 LEU m CD1 1 +ATOM 43202 C CD2 A LEU DA 12 16 ? 13.441 -17.882 -16.517 0.50 47.00 ? 16 LEU m CD2 1 +ATOM 43203 C CD2 B LEU DA 12 16 ? 15.109 -19.506 -16.132 0.50 52.42 ? 16 LEU m CD2 1 +ATOM 43204 N N . VAL DA 12 17 ? 17.700 -16.422 -13.175 1.00 46.13 ? 17 VAL m N 1 +ATOM 43205 C CA . VAL DA 12 17 ? 19.047 -16.842 -12.795 1.00 45.38 ? 17 VAL m CA 1 +ATOM 43206 C C . VAL DA 12 17 ? 19.282 -16.624 -11.304 1.00 45.03 ? 17 VAL m C 1 +ATOM 43207 O O . VAL DA 12 17 ? 19.684 -17.573 -10.620 1.00 52.26 ? 17 VAL m O 1 +ATOM 43208 C CB . VAL DA 12 17 ? 20.113 -16.149 -13.659 1.00 55.59 ? 17 VAL m CB 1 +ATOM 43209 C CG1 . VAL DA 12 17 ? 21.479 -16.332 -13.033 1.00 52.07 ? 17 VAL m CG1 1 +ATOM 43210 C CG2 . VAL DA 12 17 ? 20.065 -16.698 -15.102 1.00 48.46 ? 17 VAL m CG2 1 +ATOM 43211 N N . PRO DA 12 18 ? 19.030 -15.441 -10.730 1.00 49.38 ? 18 PRO m N 1 +ATOM 43212 C CA . PRO DA 12 18 ? 19.235 -15.324 -9.276 1.00 45.50 ? 18 PRO m CA 1 +ATOM 43213 C C . PRO DA 12 18 ? 18.183 -16.061 -8.463 1.00 52.90 ? 18 PRO m C 1 +ATOM 43214 O O . PRO DA 12 18 ? 18.514 -16.578 -7.386 1.00 44.55 ? 18 PRO m O 1 +ATOM 43215 C CB . PRO DA 12 18 ? 19.215 -13.806 -9.017 1.00 47.76 ? 18 PRO m CB 1 +ATOM 43216 C CG . PRO DA 12 18 ? 18.657 -13.191 -10.215 1.00 48.29 ? 18 PRO m CG 1 +ATOM 43217 C CD . PRO DA 12 18 ? 18.728 -14.138 -11.360 1.00 42.85 ? 18 PRO m CD 1 +ATOM 43218 N N . SER DA 12 19 ? 16.936 -16.160 -8.949 1.00 45.80 ? 19 SER m N 1 +ATOM 43219 C CA . SER DA 12 19 ? 15.951 -16.990 -8.248 1.00 48.17 ? 19 SER m CA 1 +ATOM 43220 C C . SER DA 12 19 ? 16.428 -18.433 -8.135 1.00 44.59 ? 19 SER m C 1 +ATOM 43221 O O . SER DA 12 19 ? 16.323 -19.064 -7.078 1.00 50.41 ? 19 SER m O 1 +ATOM 43222 C CB . SER DA 12 19 ? 14.606 -16.950 -8.969 1.00 44.07 ? 19 SER m CB 1 +ATOM 43223 O OG . SER DA 12 19 ? 14.007 -15.690 -8.854 1.00 47.62 ? 19 SER m OG 1 +ATOM 43224 N N . VAL DA 12 20 ? 16.959 -18.974 -9.220 1.00 52.20 ? 20 VAL m N 1 +ATOM 43225 C CA . VAL DA 12 20 ? 17.367 -20.372 -9.202 1.00 57.83 ? 20 VAL m CA 1 +ATOM 43226 C C . VAL DA 12 20 ? 18.568 -20.558 -8.280 1.00 43.13 ? 20 VAL m C 1 +ATOM 43227 O O . VAL DA 12 20 ? 18.689 -21.570 -7.578 1.00 48.14 ? 20 VAL m O 1 +ATOM 43228 C CB . VAL DA 12 20 ? 17.655 -20.838 -10.644 1.00 55.30 ? 20 VAL m CB 1 +ATOM 43229 C CG1 . VAL DA 12 20 ? 18.546 -22.037 -10.611 1.00 72.67 ? 20 VAL m CG1 1 +ATOM 43230 C CG2 . VAL DA 12 20 ? 16.335 -21.139 -11.361 1.00 49.27 ? 20 VAL m CG2 1 +ATOM 43231 N N . PHE DA 12 21 ? 19.473 -19.582 -8.268 1.00 44.39 ? 21 PHE m N 1 +ATOM 43232 C CA . PHE DA 12 21 ? 20.591 -19.625 -7.339 1.00 52.20 ? 21 PHE m CA 1 +ATOM 43233 C C . PHE DA 12 21 ? 20.098 -19.760 -5.897 1.00 48.05 ? 21 PHE m C 1 +ATOM 43234 O O . PHE DA 12 21 ? 20.611 -20.583 -5.128 1.00 48.91 ? 21 PHE m O 1 +ATOM 43235 C CB . PHE DA 12 21 ? 21.441 -18.368 -7.527 1.00 47.34 ? 21 PHE m CB 1 +ATOM 43236 C CG . PHE DA 12 21 ? 22.463 -18.155 -6.463 1.00 50.91 ? 21 PHE m CG 1 +ATOM 43237 C CD1 . PHE DA 12 21 ? 23.595 -18.957 -6.395 1.00 58.73 ? 21 PHE m CD1 1 +ATOM 43238 C CD2 . PHE DA 12 21 ? 22.308 -17.134 -5.540 1.00 49.53 ? 21 PHE m CD2 1 +ATOM 43239 C CE1 . PHE DA 12 21 ? 24.550 -18.736 -5.422 1.00 55.31 ? 21 PHE m CE1 1 +ATOM 43240 C CE2 . PHE DA 12 21 ? 23.259 -16.917 -4.551 1.00 60.31 ? 21 PHE m CE2 1 +ATOM 43241 C CZ . PHE DA 12 21 ? 24.378 -17.706 -4.496 1.00 47.68 ? 21 PHE m CZ 1 +ATOM 43242 N N . LEU DA 12 22 ? 19.078 -18.980 -5.526 1.00 47.68 ? 22 LEU m N 1 +ATOM 43243 C CA . LEU DA 12 22 ? 18.561 -19.016 -4.161 1.00 45.24 ? 22 LEU m CA 1 +ATOM 43244 C C . LEU DA 12 22 ? 17.889 -20.348 -3.849 1.00 45.87 ? 22 LEU m C 1 +ATOM 43245 O O . LEU DA 12 22 ? 18.049 -20.883 -2.746 1.00 47.01 ? 22 LEU m O 1 +ATOM 43246 C CB . LEU DA 12 22 ? 17.573 -17.873 -3.951 1.00 48.49 ? 22 LEU m CB 1 +ATOM 43247 C CG . LEU DA 12 22 ? 18.084 -16.438 -3.974 1.00 53.83 ? 22 LEU m CG 1 +ATOM 43248 C CD1 . LEU DA 12 22 ? 16.900 -15.504 -3.874 1.00 46.10 ? 22 LEU m CD1 1 +ATOM 43249 C CD2 . LEU DA 12 22 ? 19.056 -16.225 -2.827 1.00 46.27 ? 22 LEU m CD2 1 +ATOM 43250 N N . ILE DA 12 23 ? 17.131 -20.894 -4.811 1.00 45.67 ? 23 ILE m N 1 +ATOM 43251 C CA . ILE DA 12 23 ? 16.410 -22.149 -4.603 1.00 46.39 ? 23 ILE m CA 1 +ATOM 43252 C C . ILE DA 12 23 ? 17.386 -23.310 -4.420 1.00 52.63 ? 23 ILE m C 1 +ATOM 43253 O O . ILE DA 12 23 ? 17.205 -24.160 -3.539 1.00 49.96 ? 23 ILE m O 1 +ATOM 43254 C CB . ILE DA 12 23 ? 15.438 -22.404 -5.771 1.00 46.74 ? 23 ILE m CB 1 +ATOM 43255 C CG1 . ILE DA 12 23 ? 14.296 -21.385 -5.738 1.00 49.61 ? 23 ILE m CG1 1 +ATOM 43256 C CG2 . ILE DA 12 23 ? 14.864 -23.816 -5.696 1.00 49.05 ? 23 ILE m CG2 1 +ATOM 43257 C CD1 . ILE DA 12 23 ? 13.653 -21.149 -7.071 1.00 49.22 ? 23 ILE m CD1 1 +ATOM 43258 N N . ILE DA 12 24 ? 18.420 -23.377 -5.269 1.00 45.69 ? 24 ILE m N 1 +ATOM 43259 C CA . ILE DA 12 24 ? 19.498 -24.349 -5.074 1.00 46.27 ? 24 ILE m CA 1 +ATOM 43260 C C . ILE DA 12 24 ? 20.034 -24.278 -3.646 1.00 53.20 ? 24 ILE m C 1 +ATOM 43261 O O . ILE DA 12 24 ? 20.100 -25.290 -2.942 1.00 52.09 ? 24 ILE m O 1 +ATOM 43262 C CB . ILE DA 12 24 ? 20.622 -24.120 -6.102 1.00 47.52 ? 24 ILE m CB 1 +ATOM 43263 C CG1 . ILE DA 12 24 ? 20.131 -24.428 -7.520 1.00 46.93 ? 24 ILE m CG1 1 +ATOM 43264 C CG2 . ILE DA 12 24 ? 21.855 -24.968 -5.756 1.00 44.17 ? 24 ILE m CG2 1 +ATOM 43265 C CD1 . ILE DA 12 24 ? 21.052 -23.897 -8.620 1.00 52.57 ? 24 ILE m CD1 1 +ATOM 43266 N N . LEU DA 12 25 ? 20.430 -23.078 -3.196 1.00 49.76 ? 25 LEU m N 1 +ATOM 43267 C CA . LEU DA 12 25 ? 21.038 -22.963 -1.870 1.00 50.49 ? 25 LEU m CA 1 +ATOM 43268 C C . LEU DA 12 25 ? 20.066 -23.369 -0.778 1.00 51.82 ? 25 LEU m C 1 +ATOM 43269 O O . LEU DA 12 25 ? 20.469 -23.944 0.247 1.00 50.63 ? 25 LEU m O 1 +ATOM 43270 C CB . LEU DA 12 25 ? 21.538 -21.533 -1.611 1.00 44.60 ? 25 LEU m CB 1 +ATOM 43271 C CG . LEU DA 12 25 ? 22.757 -21.073 -2.411 1.00 58.27 ? 25 LEU m CG 1 +ATOM 43272 C CD1 . LEU DA 12 25 ? 23.379 -19.868 -1.761 1.00 56.07 ? 25 LEU m CD1 1 +ATOM 43273 C CD2 . LEU DA 12 25 ? 23.782 -22.202 -2.535 1.00 60.59 ? 25 LEU m CD2 1 +ATOM 43274 N N . TYR DA 12 26 ? 18.784 -23.064 -0.963 1.00 45.47 ? 26 TYR m N 1 +ATOM 43275 C CA . TYR DA 12 26 ? 17.804 -23.401 0.066 1.00 47.30 ? 26 TYR m CA 1 +ATOM 43276 C C . TYR DA 12 26 ? 17.569 -24.903 0.142 1.00 53.75 ? 26 TYR m C 1 +ATOM 43277 O O . TYR DA 12 26 ? 17.539 -25.481 1.235 1.00 51.93 ? 26 TYR m O 1 +ATOM 43278 C CB . TYR DA 12 26 ? 16.489 -22.683 -0.209 1.00 46.57 ? 26 TYR m CB 1 +ATOM 43279 C CG . TYR DA 12 26 ? 15.390 -23.189 0.686 1.00 51.99 ? 26 TYR m CG 1 +ATOM 43280 C CD1 . TYR DA 12 26 ? 15.417 -22.925 2.047 1.00 43.48 ? 26 TYR m CD1 1 +ATOM 43281 C CD2 . TYR DA 12 26 ? 14.329 -23.937 0.170 1.00 46.32 ? 26 TYR m CD2 1 +ATOM 43282 C CE1 . TYR DA 12 26 ? 14.418 -23.389 2.887 1.00 55.97 ? 26 TYR m CE1 1 +ATOM 43283 C CE2 . TYR DA 12 26 ? 13.309 -24.400 1.003 1.00 47.71 ? 26 TYR m CE2 1 +ATOM 43284 C CZ . TYR DA 12 26 ? 13.362 -24.122 2.356 1.00 55.22 ? 26 TYR m CZ 1 +ATOM 43285 O OH . TYR DA 12 26 ? 12.369 -24.577 3.195 1.00 60.53 ? 26 TYR m OH 1 +ATOM 43286 N N . VAL DA 12 27 ? 17.371 -25.552 -1.010 1.00 48.75 ? 27 VAL m N 1 +ATOM 43287 C CA . VAL DA 12 27 ? 17.009 -26.966 -1.005 1.00 49.60 ? 27 VAL m CA 1 +ATOM 43288 C C . VAL DA 12 27 ? 18.154 -27.809 -0.452 1.00 54.73 ? 27 VAL m C 1 +ATOM 43289 O O . VAL DA 12 27 ? 17.934 -28.746 0.330 1.00 48.08 ? 27 VAL m O 1 +ATOM 43290 C CB . VAL DA 12 27 ? 16.597 -27.431 -2.419 1.00 49.13 ? 27 VAL m CB 1 +ATOM 43291 C CG1 . VAL DA 12 27 ? 16.341 -28.918 -2.417 1.00 49.30 ? 27 VAL m CG1 1 +ATOM 43292 C CG2 . VAL DA 12 27 ? 15.339 -26.705 -2.880 1.00 42.58 ? 27 VAL m CG2 1 +ATOM 43293 N N . GLN DA 12 28 ? 19.392 -27.499 -0.840 1.00 43.82 ? 28 GLN m N 1 +ATOM 43294 C CA . GLN DA 12 28 ? 20.502 -28.255 -0.272 1.00 46.92 ? 28 GLN m CA 1 +ATOM 43295 C C . GLN DA 12 28 ? 20.739 -27.916 1.202 1.00 52.58 ? 28 GLN m C 1 +ATOM 43296 O O . GLN DA 12 28 ? 21.423 -28.672 1.890 1.00 51.45 ? 28 GLN m O 1 +ATOM 43297 C CB . GLN DA 12 28 ? 21.765 -28.039 -1.118 1.00 49.76 ? 28 GLN m CB 1 +ATOM 43298 C CG . GLN DA 12 28 ? 22.369 -26.636 -1.053 1.00 47.92 ? 28 GLN m CG 1 +ATOM 43299 C CD . GLN DA 12 28 ? 23.235 -26.449 0.170 1.00 55.28 ? 28 GLN m CD 1 +ATOM 43300 O OE1 . GLN DA 12 28 ? 24.048 -27.322 0.510 1.00 51.58 ? 28 GLN m OE1 1 +ATOM 43301 N NE2 . GLN DA 12 28 ? 23.043 -25.321 0.866 1.00 53.42 ? 28 GLN m NE2 1 +ATOM 43302 N N . THR DA 12 29 ? 20.189 -26.805 1.710 1.00 51.87 ? 29 THR m N 1 +ATOM 43303 C CA . THR DA 12 29 ? 20.214 -26.588 3.156 1.00 52.49 ? 29 THR m CA 1 +ATOM 43304 C C . THR DA 12 29 ? 19.222 -27.510 3.854 1.00 54.38 ? 29 THR m C 1 +ATOM 43305 O O . THR DA 12 29 ? 19.553 -28.132 4.863 1.00 57.56 ? 29 THR m O 1 +ATOM 43306 C CB . THR DA 12 29 ? 19.912 -25.123 3.505 1.00 46.10 ? 29 THR m CB 1 +ATOM 43307 O OG1 . THR DA 12 29 ? 20.868 -24.262 2.875 1.00 51.89 ? 29 THR m OG1 1 +ATOM 43308 C CG2 . THR DA 12 29 ? 19.964 -24.899 5.028 1.00 42.95 ? 29 THR m CG2 1 +ATOM 43309 N N . GLU DA 12 30 ? 18.016 -27.634 3.303 1.00 53.07 ? 30 GLU m N 1 +ATOM 43310 C CA . GLU DA 12 30 ? 16.986 -28.474 3.901 1.00 54.23 ? 30 GLU m CA 1 +ATOM 43311 C C . GLU DA 12 30 ? 17.390 -29.940 3.960 1.00 66.52 ? 30 GLU m C 1 +ATOM 43312 O O . GLU DA 12 30 ? 16.974 -30.657 4.873 1.00 55.86 ? 30 GLU m O 1 +ATOM 43313 C CB . GLU DA 12 30 ? 15.695 -28.350 3.106 1.00 61.50 ? 30 GLU m CB 1 +ATOM 43314 C CG . GLU DA 12 30 ? 14.996 -27.063 3.341 1.00 63.10 ? 30 GLU m CG 1 +ATOM 43315 C CD . GLU DA 12 30 ? 14.354 -27.037 4.698 1.00 68.01 ? 30 GLU m CD 1 +ATOM 43316 O OE1 . GLU DA 12 30 ? 13.388 -27.801 4.909 1.00 94.55 ? 30 GLU m OE1 1 +ATOM 43317 O OE2 . GLU DA 12 30 ? 14.827 -26.268 5.551 1.00 78.35 ? 30 GLU m OE2 1 +ATOM 43318 N N . SER DA 12 31 ? 18.141 -30.420 2.970 1.00 64.25 ? 31 SER m N 1 +ATOM 43319 C CA . SER DA 12 31 ? 18.467 -31.832 2.900 1.00 64.96 ? 31 SER m CA 1 +ATOM 43320 C C . SER DA 12 31 ? 19.696 -32.202 3.727 1.00 58.50 ? 31 SER m C 1 +ATOM 43321 O O . SER DA 12 31 ? 19.971 -33.390 3.877 1.00 62.16 ? 31 SER m O 1 +ATOM 43322 C CB . SER DA 12 31 ? 18.654 -32.251 1.434 1.00 55.47 ? 31 SER m CB 1 +ATOM 43323 O OG . SER DA 12 31 ? 19.877 -31.773 0.919 1.00 59.82 ? 31 SER m OG 1 +ATOM 43324 N N . GLN DA 12 32 ? 20.441 -31.225 4.248 1.00 54.03 ? 32 GLN m N 1 +ATOM 43325 C CA . GLN DA 12 32 ? 21.507 -31.512 5.200 1.00 71.51 ? 32 GLN m CA 1 +ATOM 43326 C C . GLN DA 12 32 ? 20.913 -32.117 6.469 1.00 69.68 ? 32 GLN m C 1 +ATOM 43327 O O . GLN DA 12 32 ? 19.831 -31.726 6.915 1.00 74.84 ? 32 GLN m O 1 +ATOM 43328 C CB . GLN DA 12 32 ? 22.285 -30.236 5.531 1.00 62.21 ? 32 GLN m CB 1 +ATOM 43329 C CG . GLN DA 12 32 ? 23.189 -29.737 4.414 1.00 74.45 ? 32 GLN m CG 1 +ATOM 43330 C CD . GLN DA 12 32 ? 23.791 -28.358 4.707 1.00 74.63 ? 32 GLN m CD 1 +ATOM 43331 O OE1 . GLN DA 12 32 ? 24.001 -27.995 5.857 1.00 77.76 ? 32 GLN m OE1 1 +ATOM 43332 N NE2 . GLN DA 12 32 ? 24.067 -27.591 3.655 1.00 68.31 ? 32 GLN m NE2 1 +ATOM 43333 N N . GLN DA 12 33 ? 21.615 -33.088 7.044 1.00 98.12 ? 33 GLN m N 1 +ATOM 43334 C CA . GLN DA 12 33 ? 20.997 -33.928 8.066 1.00 147.29 ? 33 GLN m CA 1 +ATOM 43335 C C . GLN DA 12 33 ? 20.638 -33.121 9.311 1.00 153.24 ? 33 GLN m C 1 +ATOM 43336 O O . GLN DA 12 33 ? 21.408 -32.271 9.769 1.00 142.39 ? 33 GLN m O 1 +ATOM 43337 C CB . GLN DA 12 33 ? 21.921 -35.094 8.428 1.00 144.14 ? 33 GLN m CB 1 +ATOM 43338 C CG . GLN DA 12 33 ? 22.091 -36.099 7.298 1.00 129.65 ? 33 GLN m CG 1 +ATOM 43339 C CD . GLN DA 12 33 ? 21.197 -37.317 7.443 1.00 151.65 ? 33 GLN m CD 1 +ATOM 43340 O OE1 . GLN DA 12 33 ? 20.607 -37.548 8.500 1.00 163.60 ? 33 GLN m OE1 1 +ATOM 43341 N NE2 . GLN DA 12 33 ? 21.098 -38.109 6.377 1.00 143.54 ? 33 GLN m NE2 1 +ATOM 43342 N N . LYS DA 12 34 ? 19.447 -33.399 9.845 1.00 154.28 ? 34 LYS m N 1 +ATOM 43343 C CA . LYS DA 12 34 ? 18.889 -32.714 11.012 1.00 137.51 ? 34 LYS m CA 1 +ATOM 43344 C C . LYS DA 12 34 ? 18.791 -31.211 10.764 1.00 146.93 ? 34 LYS m C 1 +ATOM 43345 O O . LYS DA 12 34 ? 18.476 -30.774 9.653 1.00 147.65 ? 34 LYS m O 1 +ATOM 43346 C CB . LYS DA 12 34 ? 19.726 -32.999 12.263 1.00 152.04 ? 34 LYS m CB 1 +ATOM 43347 C CG . LYS DA 12 34 ? 20.178 -34.452 12.403 1.00 161.89 ? 34 LYS m CG 1 +ATOM 43348 C CD . LYS DA 12 34 ? 19.004 -35.413 12.547 1.00 182.94 ? 34 LYS m CD 1 +ATOM 43349 C CE . LYS DA 12 34 ? 19.485 -36.850 12.734 1.00 173.10 ? 34 LYS m CE 1 +ATOM 43350 N NZ . LYS DA 12 34 ? 18.374 -37.787 13.065 1.00 119.96 ? 34 LYS m NZ 1 +ATOM 43351 N N . THR EA 13 2 ? -45.774 24.435 -13.562 1.00 123.29 ? 4 THR o N 1 +ATOM 43352 C CA . THR EA 13 2 ? -44.454 25.005 -13.811 1.00 154.75 ? 4 THR o CA 1 +ATOM 43353 C C . THR EA 13 2 ? -43.495 24.601 -12.693 1.00 152.46 ? 4 THR o C 1 +ATOM 43354 O O . THR EA 13 2 ? -43.928 24.226 -11.602 1.00 155.79 ? 4 THR o O 1 +ATOM 43355 C CB . THR EA 13 2 ? -44.501 26.551 -13.929 1.00 155.10 ? 4 THR o CB 1 +ATOM 43356 O OG1 . THR EA 13 2 ? -43.337 27.018 -14.624 1.00 146.73 ? 4 THR o OG1 1 +ATOM 43357 C CG2 . THR EA 13 2 ? -44.558 27.204 -12.550 1.00 147.25 ? 4 THR o CG2 1 +ATOM 43358 N N . LEU EA 13 3 ? -42.193 24.671 -12.971 1.00 140.05 ? 5 LEU o N 1 +ATOM 43359 C CA . LEU EA 13 3 ? -41.169 24.225 -12.041 1.00 106.58 ? 5 LEU o CA 1 +ATOM 43360 C C . LEU EA 13 3 ? -40.078 25.278 -11.922 1.00 93.95 ? 5 LEU o C 1 +ATOM 43361 O O . LEU EA 13 3 ? -39.961 26.184 -12.751 1.00 106.55 ? 5 LEU o O 1 +ATOM 43362 C CB . LEU EA 13 3 ? -40.544 22.897 -12.483 1.00 99.52 ? 5 LEU o CB 1 +ATOM 43363 C CG . LEU EA 13 3 ? -41.502 21.737 -12.733 1.00 108.56 ? 5 LEU o CG 1 +ATOM 43364 C CD1 . LEU EA 13 3 ? -40.728 20.533 -13.214 1.00 104.14 ? 5 LEU o CD1 1 +ATOM 43365 C CD2 . LEU EA 13 3 ? -42.273 21.400 -11.468 1.00 120.52 ? 5 LEU o CD2 1 +ATOM 43366 N N . THR EA 13 4 ? -39.274 25.142 -10.877 1.00 99.43 ? 6 THR o N 1 +ATOM 43367 C CA . THR EA 13 4 ? -38.125 26.005 -10.652 1.00 92.76 ? 6 THR o CA 1 +ATOM 43368 C C . THR EA 13 4 ? -36.837 25.193 -10.735 1.00 75.39 ? 6 THR o C 1 +ATOM 43369 O O . THR EA 13 4 ? -36.851 23.964 -10.863 1.00 70.49 ? 6 THR o O 1 +ATOM 43370 C CB . THR EA 13 4 ? -38.224 26.704 -9.293 1.00 88.96 ? 6 THR o CB 1 +ATOM 43371 O OG1 . THR EA 13 4 ? -38.105 25.728 -8.244 1.00 83.24 ? 6 THR o OG1 1 +ATOM 43372 C CG2 . THR EA 13 4 ? -39.562 27.409 -9.172 1.00 88.21 ? 6 THR o CG2 1 +ATOM 43373 N N . TYR EA 13 5 ? -35.714 25.914 -10.663 1.00 70.06 ? 7 TYR o N 1 +ATOM 43374 C CA . TYR EA 13 5 ? -34.405 25.272 -10.660 1.00 60.51 ? 7 TYR o CA 1 +ATOM 43375 C C . TYR EA 13 5 ? -34.298 24.220 -9.563 1.00 64.12 ? 7 TYR o C 1 +ATOM 43376 O O . TYR EA 13 5 ? -33.765 23.123 -9.783 1.00 66.30 ? 7 TYR o O 1 +ATOM 43377 C CB . TYR EA 13 5 ? -33.320 26.328 -10.495 1.00 61.24 ? 7 TYR o CB 1 +ATOM 43378 C CG . TYR EA 13 5 ? -31.937 25.773 -10.646 1.00 81.01 ? 7 TYR o CG 1 +ATOM 43379 C CD1 . TYR EA 13 5 ? -31.517 25.245 -11.877 1.00 62.67 ? 7 TYR o CD1 1 +ATOM 43380 C CD2 . TYR EA 13 5 ? -31.035 25.768 -9.571 1.00 62.86 ? 7 TYR o CD2 1 +ATOM 43381 C CE1 . TYR EA 13 5 ? -30.236 24.728 -12.041 1.00 57.53 ? 7 TYR o CE1 1 +ATOM 43382 C CE2 . TYR EA 13 5 ? -29.740 25.252 -9.722 1.00 61.02 ? 7 TYR o CE2 1 +ATOM 43383 C CZ . TYR EA 13 5 ? -29.357 24.726 -10.965 1.00 68.16 ? 7 TYR o CZ 1 +ATOM 43384 O OH . TYR EA 13 5 ? -28.101 24.221 -11.153 1.00 61.90 ? 7 TYR o OH 1 +ATOM 43385 N N . ASP EA 13 6 ? -34.849 24.513 -8.388 1.00 69.93 ? 8 ASP o N 1 +ATOM 43386 C CA . ASP EA 13 6 ? -34.730 23.589 -7.267 1.00 67.74 ? 8 ASP o CA 1 +ATOM 43387 C C . ASP EA 13 6 ? -35.587 22.346 -7.454 1.00 60.67 ? 8 ASP o C 1 +ATOM 43388 O O . ASP EA 13 6 ? -35.236 21.281 -6.943 1.00 76.02 ? 8 ASP o O 1 +ATOM 43389 C CB . ASP EA 13 6 ? -35.075 24.317 -5.978 1.00 60.42 ? 8 ASP o CB 1 +ATOM 43390 C CG . ASP EA 13 6 ? -34.138 25.468 -5.719 1.00 79.59 ? 8 ASP o CG 1 +ATOM 43391 O OD1 . ASP EA 13 6 ? -32.953 25.193 -5.443 1.00 77.09 ? 8 ASP o OD1 1 +ATOM 43392 O OD2 . ASP EA 13 6 ? -34.563 26.639 -5.856 1.00 84.26 ? 8 ASP o OD2 1 +ATOM 43393 N N . ASP EA 13 7 ? -36.692 22.442 -8.192 1.00 72.38 ? 9 ASP o N 1 +ATOM 43394 C CA . ASP EA 13 7 ? -37.457 21.235 -8.500 1.00 70.35 ? 9 ASP o CA 1 +ATOM 43395 C C . ASP EA 13 7 ? -36.721 20.349 -9.501 1.00 72.63 ? 9 ASP o C 1 +ATOM 43396 O O . ASP EA 13 7 ? -36.833 19.121 -9.446 1.00 78.89 ? 9 ASP o O 1 +ATOM 43397 C CB . ASP EA 13 7 ? -38.833 21.609 -9.051 1.00 76.43 ? 9 ASP o CB 1 +ATOM 43398 C CG . ASP EA 13 7 ? -39.515 22.678 -8.229 1.00 103.56 ? 9 ASP o CG 1 +ATOM 43399 O OD1 . ASP EA 13 7 ? -39.562 22.536 -6.989 1.00 88.83 ? 9 ASP o OD1 1 +ATOM 43400 O OD2 . ASP EA 13 7 ? -39.987 23.670 -8.828 1.00 104.24 ? 9 ASP o OD2 1 +ATOM 43401 N N . ILE EA 13 8 ? -35.947 20.955 -10.395 1.00 70.20 ? 10 ILE o N 1 +ATOM 43402 C CA . ILE EA 13 8 ? -35.379 20.240 -11.525 1.00 71.55 ? 10 ILE o CA 1 +ATOM 43403 C C . ILE EA 13 8 ? -33.957 19.748 -11.253 1.00 63.13 ? 10 ILE o C 1 +ATOM 43404 O O . ILE EA 13 8 ? -33.576 18.680 -11.744 1.00 67.00 ? 10 ILE o O 1 +ATOM 43405 C CB . ILE EA 13 8 ? -35.435 21.161 -12.760 1.00 72.01 ? 10 ILE o CB 1 +ATOM 43406 C CG1 . ILE EA 13 8 ? -36.884 21.305 -13.233 1.00 87.26 ? 10 ILE o CG1 1 +ATOM 43407 C CG2 . ILE EA 13 8 ? -34.541 20.669 -13.894 1.00 78.03 ? 10 ILE o CG2 1 +ATOM 43408 C CD1 . ILE EA 13 8 ? -37.044 22.251 -14.391 1.00 98.02 ? 10 ILE o CD1 1 +ATOM 43409 N N . VAL EA 13 9 ? -33.178 20.491 -10.456 1.00 66.79 ? 11 VAL o N 1 +ATOM 43410 C CA . VAL EA 13 9 ? -31.732 20.280 -10.403 1.00 64.45 ? 11 VAL o CA 1 +ATOM 43411 C C . VAL EA 13 9 ? -31.421 18.843 -10.018 1.00 60.96 ? 11 VAL o C 1 +ATOM 43412 O O . VAL EA 13 9 ? -32.054 18.267 -9.130 1.00 59.57 ? 11 VAL o O 1 +ATOM 43413 C CB . VAL EA 13 9 ? -31.071 21.293 -9.453 1.00 74.32 ? 11 VAL o CB 1 +ATOM 43414 C CG1 . VAL EA 13 9 ? -31.639 21.197 -8.012 1.00 55.71 ? 11 VAL o CG1 1 +ATOM 43415 C CG2 . VAL EA 13 9 ? -29.536 21.137 -9.484 1.00 56.12 ? 11 VAL o CG2 1 +ATOM 43416 N N . GLY EA 13 10 ? -30.480 18.233 -10.743 1.00 57.18 ? 12 GLY o N 1 +ATOM 43417 C CA . GLY EA 13 10 ? -30.070 16.884 -10.487 1.00 49.82 ? 12 GLY o CA 1 +ATOM 43418 C C . GLY EA 13 10 ? -30.992 15.803 -11.006 1.00 64.96 ? 12 GLY o C 1 +ATOM 43419 O O . GLY EA 13 10 ? -30.616 14.630 -10.972 1.00 59.74 ? 12 GLY o O 1 +ATOM 43420 N N . THR EA 13 11 ? -32.175 16.137 -11.509 1.00 65.12 ? 13 THR o N 1 +ATOM 43421 C CA . THR EA 13 11 ? -33.095 15.084 -11.922 1.00 57.50 ? 13 THR o CA 1 +ATOM 43422 C C . THR EA 13 11 ? -32.825 14.557 -13.324 1.00 65.91 ? 13 THR o C 1 +ATOM 43423 O O . THR EA 13 11 ? -33.275 13.457 -13.654 1.00 64.70 ? 13 THR o O 1 +ATOM 43424 C CB . THR EA 13 11 ? -34.534 15.586 -11.846 1.00 63.65 ? 13 THR o CB 1 +ATOM 43425 O OG1 . THR EA 13 11 ? -34.719 16.637 -12.800 1.00 63.09 ? 13 THR o OG1 1 +ATOM 43426 C CG2 . THR EA 13 11 ? -34.830 16.118 -10.436 1.00 67.62 ? 13 THR o CG2 1 +ATOM 43427 N N . GLY EA 13 12 ? -32.109 15.307 -14.159 1.00 59.19 ? 14 GLY o N 1 +ATOM 43428 C CA . GLY EA 13 12 ? -32.026 14.985 -15.563 1.00 58.32 ? 14 GLY o CA 1 +ATOM 43429 C C . GLY EA 13 12 ? -33.070 15.668 -16.424 1.00 68.39 ? 14 GLY o C 1 +ATOM 43430 O O . GLY EA 13 12 ? -32.940 15.656 -17.657 1.00 61.11 ? 14 GLY o O 1 +ATOM 43431 N N . LEU EA 13 13 ? -34.090 16.286 -15.820 1.00 60.62 ? 15 LEU o N 1 +ATOM 43432 C CA . LEU EA 13 13 ? -35.084 17.002 -16.614 1.00 68.17 ? 15 LEU o CA 1 +ATOM 43433 C C . LEU EA 13 13 ? -34.498 18.223 -17.329 1.00 67.38 ? 15 LEU o C 1 +ATOM 43434 O O . LEU EA 13 13 ? -35.055 18.648 -18.351 1.00 67.90 ? 15 LEU o O 1 +ATOM 43435 C CB . LEU EA 13 13 ? -36.264 17.424 -15.737 1.00 54.34 ? 15 LEU o CB 1 +ATOM 43436 C CG . LEU EA 13 13 ? -37.114 16.308 -15.131 1.00 77.84 ? 15 LEU o CG 1 +ATOM 43437 C CD1 . LEU EA 13 13 ? -38.212 16.910 -14.246 1.00 72.34 ? 15 LEU o CD1 1 +ATOM 43438 C CD2 . LEU EA 13 13 ? -37.694 15.412 -16.211 1.00 61.26 ? 15 LEU o CD2 1 +ATOM 43439 N N . ALA EA 13 14 ? -33.394 18.800 -16.831 1.00 51.06 ? 16 ALA o N 1 +ATOM 43440 C CA . ALA EA 13 14 ? -32.820 19.962 -17.506 1.00 54.09 ? 16 ALA o CA 1 +ATOM 43441 C C . ALA EA 13 14 ? -32.326 19.637 -18.914 1.00 62.50 ? 16 ALA o C 1 +ATOM 43442 O O . ALA EA 13 14 ? -32.220 20.547 -19.743 1.00 63.24 ? 16 ALA o O 1 +ATOM 43443 C CB . ALA EA 13 14 ? -31.671 20.553 -16.684 1.00 47.44 ? 16 ALA o CB 1 +ATOM 43444 N N . ASN EA 13 15 ? -32.020 18.372 -19.203 1.00 58.53 ? 17 ASN o N 1 +ATOM 43445 C CA . ASN EA 13 15 ? -31.607 17.945 -20.535 1.00 60.11 ? 17 ASN o CA 1 +ATOM 43446 C C . ASN EA 13 15 ? -32.777 17.463 -21.383 1.00 56.15 ? 17 ASN o C 1 +ATOM 43447 O O . ASN EA 13 15 ? -32.551 16.908 -22.457 1.00 58.42 ? 17 ASN o O 1 +ATOM 43448 C CB . ASN EA 13 15 ? -30.545 16.833 -20.447 1.00 49.74 ? 17 ASN o CB 1 +ATOM 43449 C CG . ASN EA 13 15 ? -29.749 16.651 -21.749 1.00 50.96 ? 17 ASN o CG 1 +ATOM 43450 O OD1 . ASN EA 13 15 ? -29.232 17.613 -22.322 1.00 60.03 ? 17 ASN o OD1 1 +ATOM 43451 N ND2 . ASN EA 13 15 ? -29.652 15.417 -22.212 1.00 47.48 ? 17 ASN o ND2 1 +ATOM 43452 N N . LYS EA 13 16 ? -34.013 17.674 -20.948 1.00 62.20 ? 18 LYS o N 1 +ATOM 43453 C CA . LYS EA 13 16 ? -35.170 17.285 -21.741 1.00 65.70 ? 18 LYS o CA 1 +ATOM 43454 C C . LYS EA 13 16 ? -35.905 18.499 -22.303 1.00 60.28 ? 18 LYS o C 1 +ATOM 43455 O O . LYS EA 13 16 ? -35.897 19.586 -21.719 1.00 69.22 ? 18 LYS o O 1 +ATOM 43456 C CB . LYS EA 13 16 ? -36.120 16.414 -20.918 1.00 68.75 ? 18 LYS o CB 1 +ATOM 43457 C CG . LYS EA 13 16 ? -35.467 15.111 -20.513 1.00 67.72 ? 18 LYS o CG 1 +ATOM 43458 C CD . LYS EA 13 16 ? -36.468 14.107 -20.014 1.00 94.41 ? 18 LYS o CD 1 +ATOM 43459 C CE . LYS EA 13 16 ? -35.788 12.774 -19.705 1.00 93.33 ? 18 LYS o CE 1 +ATOM 43460 N NZ . LYS EA 13 16 ? -34.858 12.362 -20.806 1.00 101.27 ? 18 LYS o NZ 1 +ATOM 43461 N N . CYS EA 13 17 ? -36.505 18.312 -23.445 1.00 64.92 ? 19 CYS o N 1 +ATOM 43462 C CA . CYS EA 13 17 ? -37.284 19.408 -24.014 1.00 70.88 ? 19 CYS o CA 1 +ATOM 43463 C C . CYS EA 13 17 ? -38.729 19.349 -23.517 1.00 71.89 ? 19 CYS o C 1 +ATOM 43464 O O . CYS EA 13 17 ? -39.225 18.275 -23.161 1.00 66.66 ? 19 CYS o O 1 +ATOM 43465 C CB . CYS EA 13 17 ? -37.296 19.333 -25.541 1.00 67.17 ? 19 CYS o CB 1 +ATOM 43466 S SG . CYS EA 13 17 ? -35.711 19.522 -26.363 1.00 60.49 ? 19 CYS o SG 1 +ATOM 43467 N N . PRO EA 13 18 ? -39.437 20.477 -23.519 1.00 64.86 ? 20 PRO o N 1 +ATOM 43468 C CA . PRO EA 13 18 ? -40.883 20.433 -23.271 1.00 60.58 ? 20 PRO o CA 1 +ATOM 43469 C C . PRO EA 13 18 ? -41.594 19.494 -24.237 1.00 64.33 ? 20 PRO o C 1 +ATOM 43470 O O . PRO EA 13 18 ? -41.092 19.174 -25.314 1.00 76.09 ? 20 PRO o O 1 +ATOM 43471 C CB . PRO EA 13 18 ? -41.323 21.881 -23.480 1.00 64.11 ? 20 PRO o CB 1 +ATOM 43472 C CG . PRO EA 13 18 ? -40.089 22.687 -23.279 1.00 70.57 ? 20 PRO o CG 1 +ATOM 43473 C CD . PRO EA 13 18 ? -38.943 21.849 -23.733 1.00 65.34 ? 20 PRO o CD 1 +ATOM 43474 N N . THR EA 13 19 ? -42.774 19.039 -23.830 1.00 75.00 ? 21 THR o N 1 +ATOM 43475 C CA . THR EA 13 19 ? -43.645 18.230 -24.669 1.00 77.52 ? 21 THR o CA 1 +ATOM 43476 C C . THR EA 13 19 ? -45.024 18.871 -24.734 1.00 83.11 ? 21 THR o C 1 +ATOM 43477 O O . THR EA 13 19 ? -45.338 19.792 -23.980 1.00 95.69 ? 21 THR o O 1 +ATOM 43478 C CB . THR EA 13 19 ? -43.767 16.797 -24.141 1.00 87.20 ? 21 THR o CB 1 +ATOM 43479 O OG1 . THR EA 13 19 ? -44.283 16.834 -22.803 1.00 88.13 ? 21 THR o OG1 1 +ATOM 43480 C CG2 . THR EA 13 19 ? -42.410 16.110 -24.150 1.00 91.46 ? 21 THR o CG2 1 +ATOM 43481 N N . LEU EA 13 20 ? -45.858 18.367 -25.642 1.00 101.59 ? 22 LEU o N 1 +ATOM 43482 C CA . LEU EA 13 20 ? -47.251 18.775 -25.753 1.00 84.94 ? 22 LEU o CA 1 +ATOM 43483 C C . LEU EA 13 20 ? -48.150 17.555 -25.594 1.00 91.67 ? 22 LEU o C 1 +ATOM 43484 O O . LEU EA 13 20 ? -47.705 16.411 -25.718 1.00 98.04 ? 22 LEU o O 1 +ATOM 43485 C CB . LEU EA 13 20 ? -47.532 19.457 -27.097 1.00 82.47 ? 22 LEU o CB 1 +ATOM 43486 C CG . LEU EA 13 20 ? -46.565 20.565 -27.504 1.00 80.81 ? 22 LEU o CG 1 +ATOM 43487 C CD1 . LEU EA 13 20 ? -46.901 21.065 -28.899 1.00 84.52 ? 22 LEU o CD1 1 +ATOM 43488 C CD2 . LEU EA 13 20 ? -46.594 21.706 -26.492 1.00 77.23 ? 22 LEU o CD2 1 +ATOM 43489 N N . ASP EA 13 21 ? -49.431 17.810 -25.339 1.00 92.72 ? 23 ASP o N 1 +ATOM 43490 C CA . ASP EA 13 21 ? -50.382 16.734 -25.104 1.00 101.49 ? 23 ASP o CA 1 +ATOM 43491 C C . ASP EA 13 21 ? -50.753 16.029 -26.408 1.00 112.48 ? 23 ASP o C 1 +ATOM 43492 O O . ASP EA 13 21 ? -50.476 16.504 -27.514 1.00 115.99 ? 23 ASP o O 1 +ATOM 43493 C CB . ASP EA 13 21 ? -51.653 17.268 -24.450 1.00 109.59 ? 23 ASP o CB 1 +ATOM 43494 C CG . ASP EA 13 21 ? -51.434 17.707 -23.026 1.00 135.37 ? 23 ASP o CG 1 +ATOM 43495 O OD1 . ASP EA 13 21 ? -50.733 16.988 -22.281 1.00 147.96 ? 23 ASP o OD1 1 +ATOM 43496 O OD2 . ASP EA 13 21 ? -51.964 18.774 -22.653 1.00 163.82 ? 23 ASP o OD2 1 +ATOM 43497 N N . ASP EA 13 22 ? -51.408 14.874 -26.258 1.00 124.40 ? 24 ASP o N 1 +ATOM 43498 C CA . ASP EA 13 22 ? -52.077 14.244 -27.388 1.00 118.25 ? 24 ASP o CA 1 +ATOM 43499 C C . ASP EA 13 22 ? -53.226 15.090 -27.913 1.00 124.21 ? 24 ASP o C 1 +ATOM 43500 O O . ASP EA 13 22 ? -53.669 14.877 -29.045 1.00 146.28 ? 24 ASP o O 1 +ATOM 43501 C CB . ASP EA 13 22 ? -52.608 12.867 -26.997 1.00 142.90 ? 24 ASP o CB 1 +ATOM 43502 C CG . ASP EA 13 22 ? -51.508 11.866 -26.765 1.00 141.89 ? 24 ASP o CG 1 +ATOM 43503 O OD1 . ASP EA 13 22 ? -50.345 12.291 -26.593 1.00 129.49 ? 24 ASP o OD1 1 +ATOM 43504 O OD2 . ASP EA 13 22 ? -51.810 10.653 -26.768 1.00 154.06 ? 24 ASP o OD2 1 +ATOM 43505 N N . THR EA 13 23 ? -53.723 16.033 -27.113 1.00 122.26 ? 25 THR o N 1 +ATOM 43506 C CA . THR EA 13 23 ? -54.792 16.916 -27.553 1.00 122.22 ? 25 THR o CA 1 +ATOM 43507 C C . THR EA 13 23 ? -54.309 17.978 -28.534 1.00 135.47 ? 25 THR o C 1 +ATOM 43508 O O . THR EA 13 23 ? -55.122 18.520 -29.292 1.00 146.94 ? 25 THR o O 1 +ATOM 43509 C CB . THR EA 13 23 ? -55.443 17.584 -26.340 1.00 116.12 ? 25 THR o CB 1 +ATOM 43510 O OG1 . THR EA 13 23 ? -54.798 18.837 -26.073 1.00 128.99 ? 25 THR o OG1 1 +ATOM 43511 C CG2 . THR EA 13 23 ? -55.300 16.694 -25.120 1.00 116.40 ? 25 THR o CG2 1 +ATOM 43512 N N . ALA EA 13 24 ? -53.010 18.286 -28.543 1.00 114.85 ? 26 ALA o N 1 +ATOM 43513 C CA . ALA EA 13 24 ? -52.461 19.318 -29.422 1.00 111.41 ? 26 ALA o CA 1 +ATOM 43514 C C . ALA EA 13 24 ? -52.338 18.745 -30.832 1.00 116.43 ? 26 ALA o C 1 +ATOM 43515 O O . ALA EA 13 24 ? -51.280 18.285 -31.271 1.00 109.46 ? 26 ALA o O 1 +ATOM 43516 C CB . ALA EA 13 24 ? -51.122 19.821 -28.896 1.00 80.99 ? 26 ALA o CB 1 +ATOM 43517 N N . ARG EA 13 25 ? -53.461 18.768 -31.553 1.00 113.59 ? 27 ARG o N 1 +ATOM 43518 C CA . ARG EA 13 25 ? -53.502 18.383 -32.959 1.00 105.53 ? 27 ARG o CA 1 +ATOM 43519 C C . ARG EA 13 25 ? -54.150 19.477 -33.794 1.00 93.07 ? 27 ARG o C 1 +ATOM 43520 O O . ARG EA 13 25 ? -54.800 19.190 -34.802 1.00 109.07 ? 27 ARG o O 1 +ATOM 43521 C CB . ARG EA 13 25 ? -54.248 17.064 -33.150 1.00 101.13 ? 27 ARG o CB 1 +ATOM 43522 C CG . ARG EA 13 25 ? -53.765 15.929 -32.274 1.00 110.33 ? 27 ARG o CG 1 +ATOM 43523 C CD . ARG EA 13 25 ? -52.593 15.205 -32.905 1.00 130.95 ? 27 ARG o CD 1 +ATOM 43524 N NE . ARG EA 13 25 ? -52.703 13.759 -32.737 1.00 156.01 ? 27 ARG o NE 1 +ATOM 43525 C CZ . ARG EA 13 25 ? -53.053 12.910 -33.697 1.00 162.16 ? 27 ARG o CZ 1 +ATOM 43526 N NH1 . ARG EA 13 25 ? -53.163 11.611 -33.465 1.00 150.80 ? 27 ARG o NH1 1 +ATOM 43527 N NH2 . ARG EA 13 25 ? -53.289 13.374 -34.921 1.00 155.45 ? 27 ARG o NH2 1 +ATOM 43528 N N . GLY EA 13 26 ? -53.998 20.731 -33.377 1.00 96.07 ? 28 GLY o N 1 +ATOM 43529 C CA . GLY EA 13 26 ? -54.603 21.855 -34.066 1.00 86.11 ? 28 GLY o CA 1 +ATOM 43530 C C . GLY EA 13 26 ? -53.739 22.403 -35.183 1.00 89.13 ? 28 GLY o C 1 +ATOM 43531 O O . GLY EA 13 26 ? -52.923 21.691 -35.779 1.00 89.16 ? 28 GLY o O 1 +ATOM 43532 N N . ALA EA 13 27 ? -53.917 23.692 -35.472 1.00 88.05 ? 29 ALA o N 1 +ATOM 43533 C CA . ALA EA 13 27 ? -53.258 24.329 -36.600 1.00 84.26 ? 29 ALA o CA 1 +ATOM 43534 C C . ALA EA 13 27 ? -52.928 25.763 -36.229 1.00 91.46 ? 29 ALA o C 1 +ATOM 43535 O O . ALA EA 13 27 ? -53.727 26.445 -35.583 1.00 108.31 ? 29 ALA o O 1 +ATOM 43536 C CB . ALA EA 13 27 ? -54.140 24.301 -37.852 1.00 86.39 ? 29 ALA o CB 1 +ATOM 43537 N N . TYR EA 13 28 ? -51.756 26.219 -36.637 1.00 84.40 ? 30 TYR o N 1 +ATOM 43538 C CA . TYR EA 13 28 ? -51.320 27.560 -36.273 1.00 83.71 ? 30 TYR o CA 1 +ATOM 43539 C C . TYR EA 13 28 ? -51.348 28.461 -37.499 1.00 107.21 ? 30 TYR o C 1 +ATOM 43540 O O . TYR EA 13 28 ? -50.489 28.322 -38.386 1.00 91.45 ? 30 TYR o O 1 +ATOM 43541 C CB . TYR EA 13 28 ? -49.923 27.508 -35.671 1.00 90.85 ? 30 TYR o CB 1 +ATOM 43542 C CG . TYR EA 13 28 ? -49.425 28.831 -35.177 1.00 84.22 ? 30 TYR o CG 1 +ATOM 43543 C CD1 . TYR EA 13 28 ? -49.886 29.360 -33.979 1.00 69.98 ? 30 TYR o CD1 1 +ATOM 43544 C CD2 . TYR EA 13 28 ? -48.480 29.549 -35.900 1.00 77.87 ? 30 TYR o CD2 1 +ATOM 43545 C CE1 . TYR EA 13 28 ? -49.429 30.564 -33.522 1.00 66.75 ? 30 TYR o CE1 1 +ATOM 43546 C CE2 . TYR EA 13 28 ? -48.009 30.756 -35.446 1.00 69.23 ? 30 TYR o CE2 1 +ATOM 43547 C CZ . TYR EA 13 28 ? -48.486 31.259 -34.254 1.00 77.11 ? 30 TYR o CZ 1 +ATOM 43548 O OH . TYR EA 13 28 ? -48.024 32.469 -33.788 1.00 98.81 ? 30 TYR o OH 1 +ATOM 43549 N N . PRO EA 13 29 ? -52.302 29.386 -37.599 1.00 100.57 ? 31 PRO o N 1 +ATOM 43550 C CA . PRO EA 13 29 ? -52.467 30.132 -38.849 1.00 83.12 ? 31 PRO o CA 1 +ATOM 43551 C C . PRO EA 13 29 ? -51.260 31.009 -39.139 1.00 82.97 ? 31 PRO o C 1 +ATOM 43552 O O . PRO EA 13 29 ? -50.672 31.613 -38.240 1.00 87.75 ? 31 PRO o O 1 +ATOM 43553 C CB . PRO EA 13 29 ? -53.729 30.965 -38.597 1.00 94.35 ? 31 PRO o CB 1 +ATOM 43554 C CG . PRO EA 13 29 ? -54.457 30.229 -37.500 1.00 97.67 ? 31 PRO o CG 1 +ATOM 43555 C CD . PRO EA 13 29 ? -53.362 29.701 -36.626 1.00 94.36 ? 31 PRO o CD 1 +ATOM 43556 N N . ILE EA 13 30 ? -50.881 31.058 -40.414 1.00 78.87 ? 32 ILE o N 1 +ATOM 43557 C CA . ILE EA 13 30 ? -49.757 31.859 -40.880 1.00 89.14 ? 32 ILE o CA 1 +ATOM 43558 C C . ILE EA 13 30 ? -50.311 33.060 -41.635 1.00 100.37 ? 32 ILE o C 1 +ATOM 43559 O O . ILE EA 13 30 ? -51.159 32.910 -42.523 1.00 99.85 ? 32 ILE o O 1 +ATOM 43560 C CB . ILE EA 13 30 ? -48.796 31.038 -41.758 1.00 83.53 ? 32 ILE o CB 1 +ATOM 43561 C CG1 . ILE EA 13 30 ? -48.198 29.879 -40.958 1.00 85.76 ? 32 ILE o CG1 1 +ATOM 43562 C CG2 . ILE EA 13 30 ? -47.676 31.913 -42.288 1.00 77.73 ? 32 ILE o CG2 1 +ATOM 43563 C CD1 . ILE EA 13 30 ? -47.271 30.319 -39.834 1.00 89.74 ? 32 ILE o CD1 1 +ATOM 43564 N N . ASP EA 13 31 ? -49.837 34.249 -41.273 1.00 98.59 ? 33 ASP o N 1 +ATOM 43565 C CA . ASP EA 13 31 ? -50.255 35.513 -41.868 1.00 87.99 ? 33 ASP o CA 1 +ATOM 43566 C C . ASP EA 13 31 ? -49.104 36.033 -42.722 1.00 97.81 ? 33 ASP o C 1 +ATOM 43567 O O . ASP EA 13 31 ? -48.105 36.528 -42.189 1.00 98.11 ? 33 ASP o O 1 +ATOM 43568 C CB . ASP EA 13 31 ? -50.640 36.505 -40.772 1.00 107.88 ? 33 ASP o CB 1 +ATOM 43569 C CG . ASP EA 13 31 ? -50.960 37.885 -41.302 1.00 117.19 ? 33 ASP o CG 1 +ATOM 43570 O OD1 . ASP EA 13 31 ? -51.218 38.030 -42.517 1.00 125.36 ? 33 ASP o OD1 1 +ATOM 43571 O OD2 . ASP EA 13 31 ? -50.946 38.837 -40.492 1.00 134.54 ? 33 ASP o OD2 1 +ATOM 43572 N N . SER EA 13 32 ? -49.253 35.930 -44.047 1.00 101.33 ? 34 SER o N 1 +ATOM 43573 C CA . SER EA 13 32 ? -48.177 36.294 -44.968 1.00 101.98 ? 34 SER o CA 1 +ATOM 43574 C C . SER EA 13 32 ? -47.732 37.744 -44.821 1.00 108.55 ? 34 SER o C 1 +ATOM 43575 O O . SER EA 13 32 ? -46.676 38.113 -45.347 1.00 107.53 ? 34 SER o O 1 +ATOM 43576 C CB . SER EA 13 32 ? -48.611 36.048 -46.417 1.00 116.62 ? 34 SER o CB 1 +ATOM 43577 O OG . SER EA 13 32 ? -49.013 34.703 -46.625 1.00 125.68 ? 34 SER o OG 1 +ATOM 43578 N N . SER EA 13 33 ? -48.504 38.576 -44.131 1.00 97.09 ? 35 SER o N 1 +ATOM 43579 C CA . SER EA 13 33 ? -48.146 39.975 -43.969 1.00 110.25 ? 35 SER o CA 1 +ATOM 43580 C C . SER EA 13 33 ? -47.294 40.230 -42.734 1.00 116.76 ? 35 SER o C 1 +ATOM 43581 O O . SER EA 13 33 ? -46.778 41.343 -42.576 1.00 125.55 ? 35 SER o O 1 +ATOM 43582 C CB . SER EA 13 33 ? -49.413 40.833 -43.899 1.00 109.49 ? 35 SER o CB 1 +ATOM 43583 O OG . SER EA 13 33 ? -50.206 40.472 -42.782 1.00 111.29 ? 35 SER o OG 1 +ATOM 43584 N N . GLN EA 13 34 ? -47.132 39.238 -41.866 1.00 123.22 ? 36 GLN o N 1 +ATOM 43585 C CA . GLN EA 13 34 ? -46.471 39.420 -40.584 1.00 130.88 ? 36 GLN o CA 1 +ATOM 43586 C C . GLN EA 13 34 ? -45.113 38.733 -40.579 1.00 109.96 ? 36 GLN o C 1 +ATOM 43587 O O . GLN EA 13 34 ? -44.864 37.791 -41.337 1.00 102.99 ? 36 GLN o O 1 +ATOM 43588 C CB . GLN EA 13 34 ? -47.332 38.870 -39.443 1.00 120.64 ? 36 GLN o CB 1 +ATOM 43589 C CG . GLN EA 13 34 ? -47.255 39.680 -38.165 1.00 115.96 ? 36 GLN o CG 1 +ATOM 43590 C CD . GLN EA 13 34 ? -48.629 39.986 -37.620 1.00 140.57 ? 36 GLN o CD 1 +ATOM 43591 O OE1 . GLN EA 13 34 ? -49.446 39.083 -37.427 1.00 122.88 ? 36 GLN o OE1 1 +ATOM 43592 N NE2 . GLN EA 13 34 ? -48.907 41.270 -37.395 1.00 145.39 ? 36 GLN o NE2 1 +ATOM 43593 N N . THR EA 13 35 ? -44.232 39.232 -39.717 1.00 87.11 ? 37 THR o N 1 +ATOM 43594 C CA . THR EA 13 35 ? -42.974 38.564 -39.431 1.00 102.71 ? 37 THR o CA 1 +ATOM 43595 C C . THR EA 13 35 ? -43.160 37.622 -38.251 1.00 100.09 ? 37 THR o C 1 +ATOM 43596 O O . THR EA 13 35 ? -43.889 37.926 -37.299 1.00 96.16 ? 37 THR o O 1 +ATOM 43597 C CB . THR EA 13 35 ? -41.869 39.571 -39.114 1.00 113.50 ? 37 THR o CB 1 +ATOM 43598 O OG1 . THR EA 13 35 ? -42.168 40.822 -39.736 1.00 114.31 ? 37 THR o OG1 1 +ATOM 43599 C CG2 . THR EA 13 35 ? -40.530 39.062 -39.634 1.00 113.78 ? 37 THR o CG2 1 +ATOM 43600 N N . TYR EA 13 36 ? -42.500 36.474 -38.318 1.00 107.23 ? 38 TYR o N 1 +ATOM 43601 C CA . TYR EA 13 36 ? -42.572 35.482 -37.259 1.00 79.56 ? 38 TYR o CA 1 +ATOM 43602 C C . TYR EA 13 36 ? -41.177 35.170 -36.740 1.00 91.17 ? 38 TYR o C 1 +ATOM 43603 O O . TYR EA 13 36 ? -40.162 35.569 -37.315 1.00 79.01 ? 38 TYR o O 1 +ATOM 43604 C CB . TYR EA 13 36 ? -43.264 34.209 -37.738 1.00 76.56 ? 38 TYR o CB 1 +ATOM 43605 C CG . TYR EA 13 36 ? -44.743 34.381 -37.958 1.00 97.45 ? 38 TYR o CG 1 +ATOM 43606 C CD1 . TYR EA 13 36 ? -45.654 34.096 -36.949 1.00 82.12 ? 38 TYR o CD1 1 +ATOM 43607 C CD2 . TYR EA 13 36 ? -45.232 34.828 -39.177 1.00 91.01 ? 38 TYR o CD2 1 +ATOM 43608 C CE1 . TYR EA 13 36 ? -47.009 34.247 -37.155 1.00 104.68 ? 38 TYR o CE1 1 +ATOM 43609 C CE2 . TYR EA 13 36 ? -46.581 34.985 -39.389 1.00 90.86 ? 38 TYR o CE2 1 +ATOM 43610 C CZ . TYR EA 13 36 ? -47.465 34.694 -38.382 1.00 98.08 ? 38 TYR o CZ 1 +ATOM 43611 O OH . TYR EA 13 36 ? -48.810 34.854 -38.608 1.00 98.54 ? 38 TYR o OH 1 +ATOM 43612 N N . ARG EA 13 37 ? -41.148 34.449 -35.626 1.00 88.40 ? 39 ARG o N 1 +ATOM 43613 C CA . ARG EA 13 37 ? -39.912 34.217 -34.897 1.00 82.10 ? 39 ARG o CA 1 +ATOM 43614 C C . ARG EA 13 37 ? -40.048 32.920 -34.119 1.00 78.17 ? 39 ARG o C 1 +ATOM 43615 O O . ARG EA 13 37 ? -41.043 32.721 -33.417 1.00 78.04 ? 39 ARG o O 1 +ATOM 43616 C CB . ARG EA 13 37 ? -39.619 35.392 -33.957 1.00 83.20 ? 39 ARG o CB 1 +ATOM 43617 C CG . ARG EA 13 37 ? -38.619 35.108 -32.856 1.00 105.83 ? 39 ARG o CG 1 +ATOM 43618 C CD . ARG EA 13 37 ? -37.901 36.385 -32.443 1.00 113.31 ? 39 ARG o CD 1 +ATOM 43619 N NE . ARG EA 13 37 ? -37.179 36.958 -33.575 1.00 121.78 ? 39 ARG o NE 1 +ATOM 43620 C CZ . ARG EA 13 37 ? -35.873 36.830 -33.782 1.00 116.34 ? 39 ARG o CZ 1 +ATOM 43621 N NH1 . ARG EA 13 37 ? -35.306 37.260 -34.900 1.00 106.08 ? 39 ARG o NH1 1 +ATOM 43622 N NH2 . ARG EA 13 37 ? -35.118 36.260 -32.845 1.00 104.01 ? 39 ARG o NH2 1 +ATOM 43623 N N . ILE EA 13 38 ? -39.078 32.024 -34.272 1.00 72.00 ? 40 ILE o N 1 +ATOM 43624 C CA . ILE EA 13 38 ? -38.966 30.897 -33.354 1.00 75.01 ? 40 ILE o CA 1 +ATOM 43625 C C . ILE EA 13 38 ? -38.260 31.433 -32.115 1.00 74.22 ? 40 ILE o C 1 +ATOM 43626 O O . ILE EA 13 38 ? -37.101 31.851 -32.179 1.00 64.81 ? 40 ILE o O 1 +ATOM 43627 C CB . ILE EA 13 38 ? -38.221 29.710 -33.975 1.00 72.25 ? 40 ILE o CB 1 +ATOM 43628 C CG1 . ILE EA 13 38 ? -39.004 29.217 -35.197 1.00 65.50 ? 40 ILE o CG1 1 +ATOM 43629 C CG2 . ILE EA 13 38 ? -37.994 28.607 -32.935 1.00 59.16 ? 40 ILE o CG2 1 +ATOM 43630 C CD1 . ILE EA 13 38 ? -38.794 27.776 -35.579 1.00 71.17 ? 40 ILE o CD1 1 +ATOM 43631 N N . ALA EA 13 39 ? -38.991 31.496 -31.002 1.00 67.32 ? 41 ALA o N 1 +ATOM 43632 C CA . ALA EA 13 39 ? -38.435 32.063 -29.782 1.00 74.54 ? 41 ALA o CA 1 +ATOM 43633 C C . ALA EA 13 39 ? -37.572 31.046 -29.056 1.00 70.29 ? 41 ALA o C 1 +ATOM 43634 O O . ALA EA 13 39 ? -36.543 31.407 -28.476 1.00 76.16 ? 41 ALA o O 1 +ATOM 43635 C CB . ALA EA 13 39 ? -39.555 32.567 -28.873 1.00 65.31 ? 41 ALA o CB 1 +ATOM 43636 N N . ARG EA 13 40 ? -37.970 29.777 -29.088 1.00 64.32 ? 42 ARG o N 1 +ATOM 43637 C CA . ARG EA 13 40 ? -37.188 28.700 -28.496 1.00 68.99 ? 42 ARG o CA 1 +ATOM 43638 C C . ARG EA 13 40 ? -37.281 27.470 -29.382 1.00 76.60 ? 42 ARG o C 1 +ATOM 43639 O O . ARG EA 13 40 ? -38.384 26.989 -29.669 1.00 70.96 ? 42 ARG o O 1 +ATOM 43640 C CB . ARG EA 13 40 ? -37.676 28.359 -27.091 1.00 66.60 ? 42 ARG o CB 1 +ATOM 43641 C CG . ARG EA 13 40 ? -37.051 27.091 -26.537 1.00 66.18 ? 42 ARG o CG 1 +ATOM 43642 C CD . ARG EA 13 40 ? -37.583 26.779 -25.153 1.00 69.80 ? 42 ARG o CD 1 +ATOM 43643 N NE . ARG EA 13 40 ? -36.817 25.748 -24.461 1.00 67.81 ? 42 ARG o NE 1 +ATOM 43644 C CZ . ARG EA 13 40 ? -37.113 25.280 -23.253 1.00 74.27 ? 42 ARG o CZ 1 +ATOM 43645 N NH1 . ARG EA 13 40 ? -38.168 25.716 -22.586 1.00 62.79 ? 42 ARG o NH1 1 +ATOM 43646 N NH2 . ARG EA 13 40 ? -36.334 24.348 -22.705 1.00 60.98 ? 42 ARG o NH2 1 +ATOM 43647 N N . LEU EA 13 41 ? -36.128 26.954 -29.801 1.00 64.93 ? 43 LEU o N 1 +ATOM 43648 C CA . LEU EA 13 41 ? -36.040 25.648 -30.437 1.00 70.58 ? 43 LEU o CA 1 +ATOM 43649 C C . LEU EA 13 41 ? -35.185 24.749 -29.554 1.00 66.95 ? 43 LEU o C 1 +ATOM 43650 O O . LEU EA 13 41 ? -34.080 25.136 -29.153 1.00 62.25 ? 43 LEU o O 1 +ATOM 43651 C CB . LEU EA 13 41 ? -35.452 25.744 -31.851 1.00 59.14 ? 43 LEU o CB 1 +ATOM 43652 C CG . LEU EA 13 41 ? -35.304 24.383 -32.532 1.00 59.32 ? 43 LEU o CG 1 +ATOM 43653 C CD1 . LEU EA 13 41 ? -36.660 23.703 -32.704 1.00 57.18 ? 43 LEU o CD1 1 +ATOM 43654 C CD2 . LEU EA 13 41 ? -34.596 24.543 -33.876 1.00 65.02 ? 43 LEU o CD2 1 +ATOM 43655 N N . CYS EA 13 42 ? -35.707 23.561 -29.252 1.00 53.91 ? 44 CYS o N 1 +ATOM 43656 C CA . CYS EA 13 42 ? -35.052 22.580 -28.401 1.00 60.94 ? 44 CYS o CA 1 +ATOM 43657 C C . CYS EA 13 42 ? -35.011 21.247 -29.142 1.00 60.22 ? 44 CYS o C 1 +ATOM 43658 O O . CYS EA 13 42 ? -36.037 20.787 -29.653 1.00 55.86 ? 44 CYS o O 1 +ATOM 43659 C CB . CYS EA 13 42 ? -35.800 22.461 -27.051 1.00 65.57 ? 44 CYS o CB 1 +ATOM 43660 S SG . CYS EA 13 42 ? -35.092 21.342 -25.812 1.00 62.93 ? 44 CYS o SG 1 +ATOM 43661 N N . LEU EA 13 43 ? -33.825 20.647 -29.224 1.00 54.63 ? 45 LEU o N 1 +ATOM 43662 C CA . LEU EA 13 43 ? -33.628 19.345 -29.860 1.00 53.12 ? 45 LEU o CA 1 +ATOM 43663 C C . LEU EA 13 43 ? -32.980 18.412 -28.855 1.00 63.03 ? 45 LEU o C 1 +ATOM 43664 O O . LEU EA 13 43 ? -31.895 18.705 -28.335 1.00 56.67 ? 45 LEU o O 1 +ATOM 43665 C CB . LEU EA 13 43 ? -32.761 19.440 -31.116 1.00 55.48 ? 45 LEU o CB 1 +ATOM 43666 C CG . LEU EA 13 43 ? -33.395 20.241 -32.255 1.00 70.29 ? 45 LEU o CG 1 +ATOM 43667 C CD1 . LEU EA 13 43 ? -32.727 21.582 -32.381 1.00 70.92 ? 45 LEU o CD1 1 +ATOM 43668 C CD2 . LEU EA 13 43 ? -33.304 19.477 -33.549 1.00 64.82 ? 45 LEU o CD2 1 +ATOM 43669 N N . GLN EA 13 44 ? -33.640 17.290 -28.599 1.00 59.32 ? 46 GLN o N 1 +ATOM 43670 C CA . GLN EA 13 44 ? -33.215 16.327 -27.592 1.00 54.12 ? 46 GLN o CA 1 +ATOM 43671 C C . GLN EA 13 44 ? -32.958 14.991 -28.266 1.00 60.44 ? 46 GLN o C 1 +ATOM 43672 O O . GLN EA 13 44 ? -33.910 14.278 -28.633 1.00 58.64 ? 46 GLN o O 1 +ATOM 43673 C CB . GLN EA 13 44 ? -34.273 16.197 -26.501 1.00 59.84 ? 46 GLN o CB 1 +ATOM 43674 C CG . GLN EA 13 44 ? -34.059 15.040 -25.574 1.00 61.33 ? 46 GLN o CG 1 +ATOM 43675 C CD . GLN EA 13 44 ? -35.305 14.707 -24.800 1.00 70.30 ? 46 GLN o CD 1 +ATOM 43676 O OE1 . GLN EA 13 44 ? -36.119 15.584 -24.499 1.00 65.17 ? 46 GLN o OE1 1 +ATOM 43677 N NE2 . GLN EA 13 44 ? -35.469 13.429 -24.470 1.00 64.00 ? 46 GLN o NE2 1 +ATOM 43678 N N . PRO EA 13 45 ? -31.697 14.612 -28.459 1.00 65.44 ? 47 PRO o N 1 +ATOM 43679 C CA . PRO EA 13 45 ? -31.404 13.328 -29.111 1.00 54.74 ? 47 PRO o CA 1 +ATOM 43680 C C . PRO EA 13 45 ? -31.782 12.161 -28.221 1.00 61.07 ? 47 PRO o C 1 +ATOM 43681 O O . PRO EA 13 45 ? -31.599 12.205 -27.001 1.00 67.21 ? 47 PRO o O 1 +ATOM 43682 C CB . PRO EA 13 45 ? -29.891 13.382 -29.344 1.00 57.03 ? 47 PRO o CB 1 +ATOM 43683 C CG . PRO EA 13 45 ? -29.374 14.386 -28.352 1.00 54.67 ? 47 PRO o CG 1 +ATOM 43684 C CD . PRO EA 13 45 ? -30.485 15.370 -28.093 1.00 50.94 ? 47 PRO o CD 1 +ATOM 43685 N N . THR EA 13 46 ? -32.334 11.114 -28.841 1.00 56.28 ? 48 THR o N 1 +ATOM 43686 C CA . THR EA 13 46 ? -32.599 9.867 -28.146 1.00 55.65 ? 48 THR o CA 1 +ATOM 43687 C C . THR EA 13 46 ? -31.749 8.720 -28.642 1.00 58.54 ? 48 THR o C 1 +ATOM 43688 O O . THR EA 13 46 ? -31.647 7.711 -27.946 1.00 64.37 ? 48 THR o O 1 +ATOM 43689 C CB . THR EA 13 46 ? -34.071 9.448 -28.276 1.00 55.05 ? 48 THR o CB 1 +ATOM 43690 O OG1 . THR EA 13 46 ? -34.432 9.384 -29.659 1.00 66.18 ? 48 THR o OG1 1 +ATOM 43691 C CG2 . THR EA 13 46 ? -34.974 10.420 -27.547 1.00 63.02 ? 48 THR o CG2 1 +ATOM 43692 N N . THR EA 13 47 ? -31.157 8.836 -29.825 1.00 61.63 ? 49 THR o N 1 +ATOM 43693 C CA . THR EA 13 47 ? -30.451 7.719 -30.429 1.00 59.96 ? 49 THR o CA 1 +ATOM 43694 C C . THR EA 13 47 ? -29.302 8.263 -31.257 1.00 66.57 ? 49 THR o C 1 +ATOM 43695 O O . THR EA 13 47 ? -29.439 9.298 -31.918 1.00 61.02 ? 49 THR o O 1 +ATOM 43696 C CB . THR EA 13 47 ? -31.399 6.887 -31.304 1.00 67.28 ? 49 THR o CB 1 +ATOM 43697 O OG1 . THR EA 13 47 ? -32.543 6.525 -30.525 1.00 72.95 ? 49 THR o OG1 1 +ATOM 43698 C CG2 . THR EA 13 47 ? -30.721 5.627 -31.819 1.00 57.57 ? 49 THR o CG2 1 +ATOM 43699 N N . PHE EA 13 48 ? -28.166 7.573 -31.196 1.00 54.81 ? 50 PHE o N 1 +ATOM 43700 C CA . PHE EA 13 48 ? -27.013 7.874 -32.032 1.00 55.69 ? 50 PHE o CA 1 +ATOM 43701 C C . PHE EA 13 48 ? -26.642 6.602 -32.774 1.00 61.49 ? 50 PHE o C 1 +ATOM 43702 O O . PHE EA 13 48 ? -26.342 5.582 -32.145 1.00 59.71 ? 50 PHE o O 1 +ATOM 43703 C CB . PHE EA 13 48 ? -25.837 8.384 -31.199 1.00 64.09 ? 50 PHE o CB 1 +ATOM 43704 C CG . PHE EA 13 48 ? -26.103 9.704 -30.516 1.00 63.92 ? 50 PHE o CG 1 +ATOM 43705 C CD1 . PHE EA 13 48 ? -26.794 9.753 -29.319 1.00 56.88 ? 50 PHE o CD1 1 +ATOM 43706 C CD2 . PHE EA 13 48 ? -25.661 10.884 -31.078 1.00 54.89 ? 50 PHE o CD2 1 +ATOM 43707 C CE1 . PHE EA 13 48 ? -27.031 10.960 -28.695 1.00 65.20 ? 50 PHE o CE1 1 +ATOM 43708 C CE2 . PHE EA 13 48 ? -25.896 12.088 -30.471 1.00 64.67 ? 50 PHE o CE2 1 +ATOM 43709 C CZ . PHE EA 13 48 ? -26.580 12.135 -29.275 1.00 59.51 ? 50 PHE o CZ 1 +ATOM 43710 N N . LEU EA 13 49 ? -26.678 6.660 -34.105 1.00 60.01 ? 51 LEU o N 1 +ATOM 43711 C CA . LEU EA 13 49 ? -26.354 5.532 -34.962 1.00 64.54 ? 51 LEU o CA 1 +ATOM 43712 C C . LEU EA 13 49 ? -25.115 5.894 -35.756 1.00 61.96 ? 51 LEU o C 1 +ATOM 43713 O O . LEU EA 13 49 ? -25.016 7.005 -36.275 1.00 61.13 ? 51 LEU o O 1 +ATOM 43714 C CB . LEU EA 13 49 ? -27.523 5.198 -35.890 1.00 58.71 ? 51 LEU o CB 1 +ATOM 43715 C CG . LEU EA 13 49 ? -28.800 4.833 -35.125 1.00 78.93 ? 51 LEU o CG 1 +ATOM 43716 C CD1 . LEU EA 13 49 ? -30.043 5.073 -35.955 1.00 78.99 ? 51 LEU o CD1 1 +ATOM 43717 C CD2 . LEU EA 13 49 ? -28.748 3.386 -34.673 1.00 69.72 ? 51 LEU o CD2 1 +ATOM 43718 N N . VAL EA 13 50 ? -24.161 4.974 -35.822 1.00 57.59 ? 52 VAL o N 1 +ATOM 43719 C CA . VAL EA 13 50 ? -22.911 5.187 -36.541 1.00 60.85 ? 52 VAL o CA 1 +ATOM 43720 C C . VAL EA 13 50 ? -22.862 4.213 -37.716 1.00 62.37 ? 52 VAL o C 1 +ATOM 43721 O O . VAL EA 13 50 ? -23.124 3.014 -37.552 1.00 59.11 ? 52 VAL o O 1 +ATOM 43722 C CB . VAL EA 13 50 ? -21.697 5.018 -35.611 1.00 57.53 ? 52 VAL o CB 1 +ATOM 43723 C CG1 . VAL EA 13 50 ? -20.409 5.026 -36.393 1.00 59.60 ? 52 VAL o CG1 1 +ATOM 43724 C CG2 . VAL EA 13 50 ? -21.680 6.131 -34.557 1.00 62.52 ? 52 VAL o CG2 1 +ATOM 43725 N N . LYS EA 13 51 ? -22.553 4.732 -38.903 1.00 66.30 ? 53 LYS o N 1 +ATOM 43726 C CA . LYS EA 13 51 ? -22.436 3.883 -40.076 1.00 71.00 ? 53 LYS o CA 1 +ATOM 43727 C C . LYS EA 13 51 ? -21.107 3.136 -40.031 1.00 76.03 ? 53 LYS o C 1 +ATOM 43728 O O . LYS EA 13 51 ? -20.053 3.739 -39.803 1.00 73.85 ? 53 LYS o O 1 +ATOM 43729 C CB . LYS EA 13 51 ? -22.547 4.707 -41.357 1.00 72.52 ? 53 LYS o CB 1 +ATOM 43730 C CG . LYS EA 13 51 ? -22.454 3.849 -42.612 1.00 89.42 ? 53 LYS o CG 1 +ATOM 43731 C CD . LYS EA 13 51 ? -22.447 4.664 -43.889 1.00 85.87 ? 53 LYS o CD 1 +ATOM 43732 C CE . LYS EA 13 51 ? -23.848 5.080 -44.294 1.00 100.52 ? 53 LYS o CE 1 +ATOM 43733 N NZ . LYS EA 13 51 ? -23.840 5.798 -45.615 1.00 122.46 ? 53 LYS o NZ 1 +ATOM 43734 N N . GLU EA 13 52 ? -21.158 1.820 -40.221 1.00 88.47 ? 54 GLU o N 1 +ATOM 43735 C CA . GLU EA 13 52 ? -19.946 1.014 -40.243 1.00 111.75 ? 54 GLU o CA 1 +ATOM 43736 C C . GLU EA 13 52 ? -19.451 0.835 -41.675 1.00 120.98 ? 54 GLU o C 1 +ATOM 43737 O O . GLU EA 13 52 ? -20.241 0.759 -42.621 1.00 125.67 ? 54 GLU o O 1 +ATOM 43738 C CB . GLU EA 13 52 ? -20.177 -0.348 -39.580 1.00 94.96 ? 54 GLU o CB 1 +ATOM 43739 C CG . GLU EA 13 52 ? -21.310 -1.185 -40.161 1.00 117.72 ? 54 GLU o CG 1 +ATOM 43740 C CD . GLU EA 13 52 ? -21.406 -2.568 -39.506 1.00 143.07 ? 54 GLU o CD 1 +ATOM 43741 O OE1 . GLU EA 13 52 ? -20.742 -2.779 -38.462 1.00 143.00 ? 54 GLU o OE1 1 +ATOM 43742 O OE2 . GLU EA 13 52 ? -22.137 -3.442 -40.034 1.00 120.95 ? 54 GLU o OE2 1 +ATOM 43743 N N . GLU EA 13 53 ? -18.106 0.778 -41.829 1.00 116.25 ? 55 GLU o N 1 +ATOM 43744 C CA . GLU EA 13 53 ? -17.498 0.686 -43.158 1.00 148.32 ? 55 GLU o CA 1 +ATOM 43745 C C . GLU EA 13 53 ? -17.326 -0.770 -43.573 1.00 145.05 ? 55 GLU o C 1 +ATOM 43746 O O . GLU EA 13 53 ? -16.721 -1.550 -42.828 1.00 150.09 ? 55 GLU o O 1 +ATOM 43747 C CB . GLU EA 13 53 ? -16.143 1.378 -43.187 1.00 150.95 ? 55 GLU o CB 1 +ATOM 43748 C CG . GLU EA 13 53 ? -16.201 2.891 -43.050 1.00 161.40 ? 55 GLU o CG 1 +ATOM 43749 C CD . GLU EA 13 53 ? -16.006 3.357 -41.619 1.00 148.62 ? 55 GLU o CD 1 +ATOM 43750 O OE1 . GLU EA 13 53 ? -15.771 2.487 -40.750 1.00 144.39 ? 55 GLU o OE1 1 +ATOM 43751 O OE2 . GLU EA 13 53 ? -16.081 4.588 -41.369 1.00 117.95 ? 55 GLU o OE2 1 +ATOM 43752 N N . PRO EA 13 54 ? -17.830 -1.168 -44.742 1.00 176.23 ? 56 PRO o N 1 +ATOM 43753 C CA . PRO EA 13 54 ? -17.591 -2.530 -45.231 1.00 176.49 ? 56 PRO o CA 1 +ATOM 43754 C C . PRO EA 13 54 ? -16.208 -2.676 -45.848 1.00 173.93 ? 56 PRO o C 1 +ATOM 43755 O O . PRO EA 13 54 ? -15.662 -1.748 -46.450 1.00 171.30 ? 56 PRO o O 1 +ATOM 43756 C CB . PRO EA 13 54 ? -18.682 -2.728 -46.297 1.00 152.20 ? 56 PRO o CB 1 +ATOM 43757 C CG . PRO EA 13 54 ? -19.594 -1.533 -46.190 1.00 164.72 ? 56 PRO o CG 1 +ATOM 43758 C CD . PRO EA 13 54 ? -18.764 -0.433 -45.607 1.00 179.68 ? 56 PRO o CD 1 +ATOM 43759 N N . LYS EA 13 55 ? -15.643 -3.877 -45.687 1.00 168.24 ? 57 LYS o N 1 +ATOM 43760 C CA . LYS EA 13 55 ? -14.348 -4.182 -46.288 1.00 157.56 ? 57 LYS o CA 1 +ATOM 43761 C C . LYS EA 13 55 ? -14.417 -4.098 -47.811 1.00 160.70 ? 57 LYS o C 1 +ATOM 43762 O O . LYS EA 13 55 ? -13.567 -3.465 -48.450 1.00 165.14 ? 57 LYS o O 1 +ATOM 43763 C CB . LYS EA 13 55 ? -13.886 -5.575 -45.846 1.00 137.15 ? 57 LYS o CB 1 +ATOM 43764 C CG . LYS EA 13 55 ? -12.963 -5.633 -44.627 1.00 101.40 ? 57 LYS o CG 1 +ATOM 43765 C CD . LYS EA 13 55 ? -13.023 -7.034 -44.013 1.00 106.92 ? 57 LYS o CD 1 +ATOM 43766 C CE . LYS EA 13 55 ? -11.657 -7.592 -43.548 1.00 114.36 ? 57 LYS o CE 1 +ATOM 43767 N NZ . LYS EA 13 55 ? -11.685 -9.081 -43.181 1.00 56.30 ? 57 LYS o NZ 1 +ATOM 43768 N N . ASN EA 13 56 ? -15.439 -4.716 -48.407 1.00 163.40 ? 58 ASN o N 1 +ATOM 43769 C CA . ASN EA 13 56 ? -15.503 -4.912 -49.851 1.00 157.17 ? 58 ASN o CA 1 +ATOM 43770 C C . ASN EA 13 56 ? -16.025 -3.698 -50.609 1.00 168.27 ? 58 ASN o C 1 +ATOM 43771 O O . ASN EA 13 56 ? -15.975 -3.700 -51.845 1.00 166.09 ? 58 ASN o O 1 +ATOM 43772 C CB . ASN EA 13 56 ? -16.380 -6.126 -50.161 1.00 135.98 ? 58 ASN o CB 1 +ATOM 43773 C CG . ASN EA 13 56 ? -16.238 -7.216 -49.118 1.00 140.04 ? 58 ASN o CG 1 +ATOM 43774 O OD1 . ASN EA 13 56 ? -15.378 -8.087 -49.225 1.00 130.98 ? 58 ASN o OD1 1 +ATOM 43775 N ND2 . ASN EA 13 56 ? -17.068 -7.158 -48.085 1.00 173.46 ? 58 ASN o ND2 1 +ATOM 43776 N N . LYS EA 13 57 ? -16.544 -2.686 -49.909 1.00 170.20 ? 59 LYS o N 1 +ATOM 43777 C CA . LYS EA 13 57 ? -17.045 -1.447 -50.506 1.00 169.57 ? 59 LYS o CA 1 +ATOM 43778 C C . LYS EA 13 57 ? -18.254 -1.673 -51.411 1.00 167.67 ? 59 LYS o C 1 +ATOM 43779 O O . LYS EA 13 57 ? -19.108 -0.789 -51.538 1.00 168.82 ? 59 LYS o O 1 +ATOM 43780 C CB . LYS EA 13 57 ? -15.931 -0.727 -51.279 1.00 166.99 ? 59 LYS o CB 1 +ATOM 43781 C CG . LYS EA 13 57 ? -15.183 0.338 -50.477 1.00 150.27 ? 59 LYS o CG 1 +ATOM 43782 C CD . LYS EA 13 57 ? -14.488 -0.250 -49.260 1.00 139.92 ? 59 LYS o CD 1 +ATOM 43783 C CE . LYS EA 13 57 ? -13.530 0.748 -48.641 1.00 138.36 ? 59 LYS o CE 1 +ATOM 43784 N NZ . LYS EA 13 57 ? -12.463 1.142 -49.599 1.00 150.48 ? 59 LYS o NZ 1 +ATOM 43785 N N . ARG EA 13 58 ? -18.341 -2.840 -52.048 1.00 163.89 ? 60 ARG o N 1 +ATOM 43786 C CA . ARG EA 13 58 ? -19.505 -3.202 -52.842 1.00 177.74 ? 60 ARG o CA 1 +ATOM 43787 C C . ARG EA 13 58 ? -20.582 -3.890 -52.008 1.00 172.88 ? 60 ARG o C 1 +ATOM 43788 O O . ARG EA 13 58 ? -21.560 -4.399 -52.568 1.00 164.06 ? 60 ARG o O 1 +ATOM 43789 C CB . ARG EA 13 58 ? -19.086 -4.083 -54.023 1.00 172.85 ? 60 ARG o CB 1 +ATOM 43790 C CG . ARG EA 13 58 ? -17.944 -3.493 -54.857 1.00 170.56 ? 60 ARG o CG 1 +ATOM 43791 C CD . ARG EA 13 58 ? -18.109 -3.779 -56.353 1.00 154.75 ? 60 ARG o CD 1 +ATOM 43792 N NE . ARG EA 13 58 ? -18.625 -5.121 -56.611 1.00 163.46 ? 60 ARG o NE 1 +ATOM 43793 C CZ . ARG EA 13 58 ? -18.763 -5.654 -57.819 1.00 141.67 ? 60 ARG o CZ 1 +ATOM 43794 N NH1 . ARG EA 13 58 ? -18.393 -5.000 -58.909 1.00 124.90 ? 60 ARG o NH1 1 +ATOM 43795 N NH2 . ARG EA 13 58 ? -19.288 -6.876 -57.936 1.00 112.04 ? 60 ARG o NH2 1 +ATOM 43796 N N . GLN EA 13 59 ? -20.418 -3.919 -50.688 1.00 171.59 ? 61 GLN o N 1 +ATOM 43797 C CA . GLN EA 13 59 ? -21.466 -4.320 -49.761 1.00 178.29 ? 61 GLN o CA 1 +ATOM 43798 C C . GLN EA 13 59 ? -22.064 -3.074 -49.116 1.00 188.24 ? 61 GLN o C 1 +ATOM 43799 O O . GLN EA 13 59 ? -21.341 -2.133 -48.771 1.00 181.63 ? 61 GLN o O 1 +ATOM 43800 C CB . GLN EA 13 59 ? -20.921 -5.253 -48.679 1.00 169.95 ? 61 GLN o CB 1 +ATOM 43801 C CG . GLN EA 13 59 ? -19.861 -6.217 -49.167 1.00 157.62 ? 61 GLN o CG 1 +ATOM 43802 C CD . GLN EA 13 59 ? -20.432 -7.389 -49.933 1.00 156.79 ? 61 GLN o CD 1 +ATOM 43803 O OE1 . GLN EA 13 59 ? -21.637 -7.639 -49.901 1.00 168.95 ? 61 GLN o OE1 1 +ATOM 43804 N NE2 . GLN EA 13 59 ? -19.565 -8.122 -50.624 1.00 149.04 ? 61 GLN o NE2 1 +ATOM 43805 N N . GLU EA 13 60 ? -23.384 -3.073 -48.957 1.00 168.66 ? 62 GLU o N 1 +ATOM 43806 C CA . GLU EA 13 60 ? -24.070 -1.917 -48.395 1.00 163.83 ? 62 GLU o CA 1 +ATOM 43807 C C . GLU EA 13 60 ? -23.684 -1.724 -46.933 1.00 153.42 ? 62 GLU o C 1 +ATOM 43808 O O . GLU EA 13 60 ? -23.560 -2.689 -46.173 1.00 153.31 ? 62 GLU o O 1 +ATOM 43809 C CB . GLU EA 13 60 ? -25.582 -2.092 -48.529 1.00 169.02 ? 62 GLU o CB 1 +ATOM 43810 C CG . GLU EA 13 60 ? -26.386 -0.812 -48.398 1.00 169.99 ? 62 GLU o CG 1 +ATOM 43811 C CD . GLU EA 13 60 ? -27.876 -1.053 -48.556 1.00 179.83 ? 62 GLU o CD 1 +ATOM 43812 O OE1 . GLU EA 13 60 ? -28.342 -2.158 -48.199 1.00 155.25 ? 62 GLU o OE1 1 +ATOM 43813 O OE2 . GLU EA 13 60 ? -28.579 -0.143 -49.045 1.00 193.59 ? 62 GLU o OE2 1 +ATOM 43814 N N . ALA EA 13 61 ? -23.483 -0.468 -46.541 1.00 139.14 ? 63 ALA o N 1 +ATOM 43815 C CA . ALA EA 13 61 ? -23.094 -0.158 -45.172 1.00 117.85 ? 63 ALA o CA 1 +ATOM 43816 C C . ALA EA 13 61 ? -24.316 -0.073 -44.267 1.00 102.15 ? 63 ALA o C 1 +ATOM 43817 O O . ALA EA 13 61 ? -25.425 0.241 -44.707 1.00 119.49 ? 63 ALA o O 1 +ATOM 43818 C CB . ALA EA 13 61 ? -22.315 1.156 -45.115 1.00 107.92 ? 63 ALA o CB 1 +ATOM 43819 N N . GLU EA 13 62 ? -24.097 -0.352 -42.984 1.00 102.91 ? 64 GLU o N 1 +ATOM 43820 C CA . GLU EA 13 62 ? -25.148 -0.352 -41.980 1.00 88.21 ? 64 GLU o CA 1 +ATOM 43821 C C . GLU EA 13 62 ? -24.888 0.720 -40.932 1.00 79.05 ? 64 GLU o C 1 +ATOM 43822 O O . GLU EA 13 62 ? -23.738 1.045 -40.625 1.00 75.20 ? 64 GLU o O 1 +ATOM 43823 C CB . GLU EA 13 62 ? -25.246 -1.706 -41.273 1.00 102.25 ? 64 GLU o CB 1 +ATOM 43824 C CG . GLU EA 13 62 ? -25.827 -2.823 -42.101 1.00 131.79 ? 64 GLU o CG 1 +ATOM 43825 C CD . GLU EA 13 62 ? -25.779 -4.149 -41.371 1.00 150.44 ? 64 GLU o CD 1 +ATOM 43826 O OE1 . GLU EA 13 62 ? -24.937 -4.295 -40.454 1.00 152.16 ? 64 GLU o OE1 1 +ATOM 43827 O OE2 . GLU EA 13 62 ? -26.587 -5.042 -41.707 1.00 174.21 ? 64 GLU o OE2 1 +ATOM 43828 N N . PHE EA 13 63 ? -25.974 1.252 -40.380 1.00 69.42 ? 65 PHE o N 1 +ATOM 43829 C CA . PHE EA 13 63 ? -25.928 2.059 -39.171 1.00 71.77 ? 65 PHE o CA 1 +ATOM 43830 C C . PHE EA 13 63 ? -26.121 1.143 -37.967 1.00 76.31 ? 65 PHE o C 1 +ATOM 43831 O O . PHE EA 13 63 ? -27.039 0.318 -37.957 1.00 86.28 ? 65 PHE o O 1 +ATOM 43832 C CB . PHE EA 13 63 ? -27.012 3.136 -39.202 1.00 64.56 ? 65 PHE o CB 1 +ATOM 43833 C CG . PHE EA 13 63 ? -26.632 4.361 -39.988 1.00 73.61 ? 65 PHE o CG 1 +ATOM 43834 C CD1 . PHE EA 13 63 ? -25.831 5.335 -39.422 1.00 72.55 ? 65 PHE o CD1 1 +ATOM 43835 C CD2 . PHE EA 13 63 ? -27.079 4.541 -41.292 1.00 86.18 ? 65 PHE o CD2 1 +ATOM 43836 C CE1 . PHE EA 13 63 ? -25.474 6.463 -40.133 1.00 68.60 ? 65 PHE o CE1 1 +ATOM 43837 C CE2 . PHE EA 13 63 ? -26.729 5.668 -42.007 1.00 78.74 ? 65 PHE o CE2 1 +ATOM 43838 C CZ . PHE EA 13 63 ? -25.925 6.630 -41.426 1.00 91.26 ? 65 PHE o CZ 1 +ATOM 43839 N N . VAL EA 13 64 ? -25.255 1.271 -36.964 1.00 71.65 ? 66 VAL o N 1 +ATOM 43840 C CA . VAL EA 13 64 ? -25.314 0.367 -35.811 1.00 69.89 ? 66 VAL o CA 1 +ATOM 43841 C C . VAL EA 13 64 ? -25.653 1.165 -34.560 1.00 63.06 ? 66 VAL o C 1 +ATOM 43842 O O . VAL EA 13 64 ? -25.373 2.374 -34.502 1.00 62.83 ? 66 VAL o O 1 +ATOM 43843 C CB . VAL EA 13 64 ? -23.996 -0.407 -35.625 1.00 61.56 ? 66 VAL o CB 1 +ATOM 43844 C CG1 . VAL EA 13 64 ? -23.668 -1.195 -36.887 1.00 77.24 ? 66 VAL o CG1 1 +ATOM 43845 C CG2 . VAL EA 13 64 ? -22.864 0.540 -35.279 1.00 72.55 ? 66 VAL o CG2 1 +ATOM 43846 N N . PRO EA 13 65 ? -26.252 0.542 -33.544 1.00 68.54 ? 67 PRO o N 1 +ATOM 43847 C CA . PRO EA 13 65 ? -26.524 1.265 -32.296 1.00 67.83 ? 67 PRO o CA 1 +ATOM 43848 C C . PRO EA 13 65 ? -25.242 1.529 -31.524 1.00 53.88 ? 67 PRO o C 1 +ATOM 43849 O O . PRO EA 13 65 ? -24.254 0.806 -31.643 1.00 58.01 ? 67 PRO o O 1 +ATOM 43850 C CB . PRO EA 13 65 ? -27.441 0.311 -31.528 1.00 77.76 ? 67 PRO o CB 1 +ATOM 43851 C CG . PRO EA 13 65 ? -26.976 -1.061 -31.976 1.00 78.79 ? 67 PRO o CG 1 +ATOM 43852 C CD . PRO EA 13 65 ? -26.642 -0.879 -33.454 1.00 74.57 ? 67 PRO o CD 1 +ATOM 43853 N N . THR EA 13 66 ? -25.254 2.602 -30.747 1.00 58.17 ? 68 THR o N 1 +ATOM 43854 C CA . THR EA 13 66 ? -24.119 2.967 -29.915 1.00 56.15 ? 68 THR o CA 1 +ATOM 43855 C C . THR EA 13 66 ? -24.602 3.207 -28.500 1.00 53.74 ? 68 THR o C 1 +ATOM 43856 O O . THR EA 13 66 ? -25.804 3.280 -28.233 1.00 70.72 ? 68 THR o O 1 +ATOM 43857 C CB . THR EA 13 66 ? -23.403 4.227 -30.423 1.00 54.95 ? 68 THR o CB 1 +ATOM 43858 O OG1 . THR EA 13 66 ? -24.313 5.331 -30.380 1.00 58.92 ? 68 THR o OG1 1 +ATOM 43859 C CG2 . THR EA 13 66 ? -22.885 4.025 -31.823 1.00 49.13 ? 68 THR o CG2 1 +ATOM 43860 N N . LYS EA 13 67 ? -23.645 3.356 -27.595 1.00 57.19 ? 69 LYS o N 1 +ATOM 43861 C CA . LYS EA 13 67 ? -23.926 3.646 -26.196 1.00 54.69 ? 69 LYS o CA 1 +ATOM 43862 C C . LYS EA 13 67 ? -23.394 5.031 -25.845 1.00 47.04 ? 69 LYS o C 1 +ATOM 43863 O O . LYS EA 13 67 ? -22.247 5.357 -26.172 1.00 49.88 ? 69 LYS o O 1 +ATOM 43864 C CB . LYS EA 13 67 ? -23.298 2.574 -25.303 1.00 58.38 ? 69 LYS o CB 1 +ATOM 43865 C CG . LYS EA 13 67 ? -24.107 2.273 -24.074 1.00 83.75 ? 69 LYS o CG 1 +ATOM 43866 C CD . LYS EA 13 67 ? -24.455 0.794 -24.008 1.00 88.88 ? 69 LYS o CD 1 +ATOM 43867 C CE . LYS EA 13 67 ? -23.207 -0.054 -24.024 1.00 75.00 ? 69 LYS o CE 1 +ATOM 43868 N NZ . LYS EA 13 67 ? -23.382 -1.253 -23.155 1.00 101.88 ? 69 LYS o NZ 1 +ATOM 43869 N N . LEU EA 13 68 ? -24.230 5.846 -25.198 1.00 51.55 ? 70 LEU o N 1 +ATOM 43870 C CA . LEU EA 13 68 ? -23.823 7.167 -24.724 1.00 54.20 ? 70 LEU o CA 1 +ATOM 43871 C C . LEU EA 13 68 ? -22.984 7.051 -23.449 1.00 58.50 ? 70 LEU o C 1 +ATOM 43872 O O . LEU EA 13 68 ? -23.402 6.403 -22.485 1.00 55.98 ? 70 LEU o O 1 +ATOM 43873 C CB . LEU EA 13 68 ? -25.061 8.029 -24.456 1.00 56.12 ? 70 LEU o CB 1 +ATOM 43874 C CG . LEU EA 13 68 ? -24.881 9.455 -23.934 1.00 56.78 ? 70 LEU o CG 1 +ATOM 43875 C CD1 . LEU EA 13 68 ? -23.992 10.269 -24.844 1.00 48.56 ? 70 LEU o CD1 1 +ATOM 43876 C CD2 . LEU EA 13 68 ? -26.228 10.140 -23.758 1.00 63.73 ? 70 LEU o CD2 1 +ATOM 43877 N N . VAL EA 13 69 ? -21.812 7.689 -23.422 1.00 48.40 ? 71 VAL o N 1 +ATOM 43878 C CA . VAL EA 13 69 ? -20.962 7.647 -22.234 1.00 50.90 ? 71 VAL o CA 1 +ATOM 43879 C C . VAL EA 13 69 ? -20.720 9.022 -21.632 1.00 55.64 ? 71 VAL o C 1 +ATOM 43880 O O . VAL EA 13 69 ? -20.034 9.126 -20.600 1.00 49.87 ? 71 VAL o O 1 +ATOM 43881 C CB . VAL EA 13 69 ? -19.614 6.943 -22.505 1.00 48.62 ? 71 VAL o CB 1 +ATOM 43882 C CG1 . VAL EA 13 69 ? -19.836 5.467 -22.868 1.00 46.52 ? 71 VAL o CG1 1 +ATOM 43883 C CG2 . VAL EA 13 69 ? -18.820 7.676 -23.578 1.00 42.83 ? 71 VAL o CG2 1 +ATOM 43884 N N . THR EA 13 70 ? -21.281 10.077 -22.215 1.00 52.73 ? 72 THR o N 1 +ATOM 43885 C CA . THR EA 13 70 ? -21.068 11.420 -21.707 1.00 51.66 ? 72 THR o CA 1 +ATOM 43886 C C . THR EA 13 70 ? -22.282 11.975 -20.951 1.00 49.43 ? 72 THR o C 1 +ATOM 43887 O O . THR EA 13 70 ? -22.321 13.177 -20.673 1.00 49.43 ? 72 THR o O 1 +ATOM 43888 C CB . THR EA 13 70 ? -20.630 12.340 -22.854 1.00 54.80 ? 72 THR o CB 1 +ATOM 43889 O OG1 . THR EA 13 70 ? -21.460 12.129 -24.009 1.00 50.30 ? 72 THR o OG1 1 +ATOM 43890 C CG2 . THR EA 13 70 ? -19.187 12.030 -23.215 1.00 44.22 ? 72 THR o CG2 1 +ATOM 43891 N N A ARG EA 13 71 ? -23.247 11.115 -20.600 0.40 47.11 ? 73 ARG o N 1 +ATOM 43892 N N B ARG EA 13 71 ? -23.261 11.125 -20.615 0.60 47.09 ? 73 ARG o N 1 +ATOM 43893 C CA A ARG EA 13 71 ? -24.340 11.444 -19.676 0.40 51.29 ? 73 ARG o CA 1 +ATOM 43894 C CA B ARG EA 13 71 ? -24.351 11.451 -19.691 0.60 51.31 ? 73 ARG o CA 1 +ATOM 43895 C C A ARG EA 13 71 ? -25.323 12.460 -20.256 0.40 54.14 ? 73 ARG o C 1 +ATOM 43896 C C B ARG EA 13 71 ? -25.327 12.473 -20.267 0.60 54.18 ? 73 ARG o C 1 +ATOM 43897 O O A ARG EA 13 71 ? -25.386 12.608 -21.474 0.40 49.55 ? 73 ARG o O 1 +ATOM 43898 O O B ARG EA 13 71 ? -25.392 12.651 -21.484 0.60 49.55 ? 73 ARG o O 1 +ATOM 43899 C CB A ARG EA 13 71 ? -23.765 11.923 -18.344 0.40 45.31 ? 73 ARG o CB 1 +ATOM 43900 C CB B ARG EA 13 71 ? -23.775 11.929 -18.359 0.60 45.11 ? 73 ARG o CB 1 +ATOM 43901 C CG A ARG EA 13 71 ? -22.811 10.860 -17.759 0.40 54.01 ? 73 ARG o CG 1 +ATOM 43902 C CG B ARG EA 13 71 ? -22.784 10.910 -17.778 0.60 54.18 ? 73 ARG o CG 1 +ATOM 43903 C CD A ARG EA 13 71 ? -22.195 11.270 -16.437 0.40 49.36 ? 73 ARG o CD 1 +ATOM 43904 C CD B ARG EA 13 71 ? -22.207 11.336 -16.443 0.60 49.39 ? 73 ARG o CD 1 +ATOM 43905 N NE A ARG EA 13 71 ? -23.135 11.158 -15.332 0.40 50.95 ? 73 ARG o NE 1 +ATOM 43906 N NE B ARG EA 13 71 ? -23.159 11.207 -15.348 0.60 50.98 ? 73 ARG o NE 1 +ATOM 43907 C CZ A ARG EA 13 71 ? -22.870 11.582 -14.101 0.40 54.92 ? 73 ARG o CZ 1 +ATOM 43908 C CZ B ARG EA 13 71 ? -22.918 11.641 -14.117 0.60 55.10 ? 73 ARG o CZ 1 +ATOM 43909 N NH1 A ARG EA 13 71 ? -21.715 12.156 -13.803 0.40 49.18 ? 73 ARG o NH1 1 +ATOM 43910 N NH1 B ARG EA 13 71 ? -21.770 12.219 -13.804 0.60 49.19 ? 73 ARG o NH1 1 +ATOM 43911 N NH2 A ARG EA 13 71 ? -23.786 11.436 -13.150 0.40 54.11 ? 73 ARG o NH2 1 +ATOM 43912 N NH2 B ARG EA 13 71 ? -23.853 11.503 -13.181 0.60 54.19 ? 73 ARG o NH2 1 +ATOM 43913 N N . GLU EA 13 72 ? -26.106 13.136 -19.409 1.00 57.52 ? 74 GLU o N 1 +ATOM 43914 C CA . GLU EA 13 72 ? -27.218 13.985 -19.869 1.00 57.67 ? 74 GLU o CA 1 +ATOM 43915 C C . GLU EA 13 72 ? -26.764 15.389 -20.284 1.00 55.10 ? 74 GLU o C 1 +ATOM 43916 O O . GLU EA 13 72 ? -27.213 16.407 -19.761 1.00 53.16 ? 74 GLU o O 1 +ATOM 43917 C CB . GLU EA 13 72 ? -28.291 14.060 -18.794 1.00 57.26 ? 74 GLU o CB 1 +ATOM 43918 C CG . GLU EA 13 72 ? -29.005 12.723 -18.584 1.00 58.18 ? 74 GLU o CG 1 +ATOM 43919 C CD . GLU EA 13 72 ? -29.686 12.237 -19.854 1.00 66.69 ? 74 GLU o CD 1 +ATOM 43920 O OE1 . GLU EA 13 72 ? -30.424 13.028 -20.481 1.00 88.77 ? 74 GLU o OE1 1 +ATOM 43921 O OE2 . GLU EA 13 72 ? -29.478 11.073 -20.244 1.00 97.85 ? 74 GLU o OE2 1 +ATOM 43922 N N . THR EA 13 73 ? -25.883 15.427 -21.284 1.00 53.68 ? 75 THR o N 1 +ATOM 43923 C CA . THR EA 13 73 ? -25.220 16.652 -21.706 1.00 51.88 ? 75 THR o CA 1 +ATOM 43924 C C . THR EA 13 73 ? -25.439 16.917 -23.197 1.00 55.27 ? 75 THR o C 1 +ATOM 43925 O O . THR EA 13 73 ? -24.623 17.576 -23.845 1.00 49.53 ? 75 THR o O 1 +ATOM 43926 C CB . THR EA 13 73 ? -23.725 16.579 -21.378 1.00 62.08 ? 75 THR o CB 1 +ATOM 43927 O OG1 . THR EA 13 73 ? -23.129 15.472 -22.075 1.00 52.93 ? 75 THR o OG1 1 +ATOM 43928 C CG2 . THR EA 13 73 ? -23.501 16.401 -19.872 1.00 50.69 ? 75 THR o CG2 1 +ATOM 43929 N N . THR EA 13 74 ? -26.542 16.408 -23.752 1.00 51.07 ? 76 THR o N 1 +ATOM 43930 C CA . THR EA 13 74 ? -26.651 16.222 -25.191 1.00 47.94 ? 76 THR o CA 1 +ATOM 43931 C C . THR EA 13 74 ? -27.621 17.167 -25.895 1.00 57.63 ? 76 THR o C 1 +ATOM 43932 O O . THR EA 13 74 ? -27.571 17.262 -27.122 1.00 60.47 ? 76 THR o O 1 +ATOM 43933 C CB . THR EA 13 74 ? -27.067 14.777 -25.500 1.00 56.98 ? 76 THR o CB 1 +ATOM 43934 O OG1 . THR EA 13 74 ? -28.321 14.488 -24.879 1.00 53.92 ? 76 THR o OG1 1 +ATOM 43935 C CG2 . THR EA 13 74 ? -25.999 13.770 -25.016 1.00 50.13 ? 76 THR o CG2 1 +ATOM 43936 N N . SER EA 13 75 ? -28.488 17.871 -25.185 1.00 62.05 ? 77 SER o N 1 +ATOM 43937 C CA . SER EA 13 75 ? -29.579 18.556 -25.862 1.00 53.07 ? 77 SER o CA 1 +ATOM 43938 C C . SER EA 13 75 ? -29.196 19.959 -26.318 1.00 52.13 ? 77 SER o C 1 +ATOM 43939 O O . SER EA 13 75 ? -28.411 20.665 -25.676 1.00 52.46 ? 77 SER o O 1 +ATOM 43940 C CB . SER EA 13 75 ? -30.806 18.618 -24.960 1.00 53.23 ? 77 SER o CB 1 +ATOM 43941 O OG . SER EA 13 75 ? -31.450 17.357 -24.936 1.00 59.83 ? 77 SER o OG 1 +ATOM 43942 N N . LEU EA 13 76 ? -29.764 20.351 -27.454 1.00 57.82 ? 78 LEU o N 1 +ATOM 43943 C CA . LEU EA 13 76 ? -29.655 21.711 -27.969 1.00 60.80 ? 78 LEU o CA 1 +ATOM 43944 C C . LEU EA 13 76 ? -30.890 22.505 -27.552 1.00 55.90 ? 78 LEU o C 1 +ATOM 43945 O O . LEU EA 13 76 ? -32.015 22.002 -27.636 1.00 62.90 ? 78 LEU o O 1 +ATOM 43946 C CB . LEU EA 13 76 ? -29.516 21.682 -29.494 1.00 53.16 ? 78 LEU o CB 1 +ATOM 43947 C CG . LEU EA 13 76 ? -28.503 20.671 -30.033 1.00 54.90 ? 78 LEU o CG 1 +ATOM 43948 C CD1 . LEU EA 13 76 ? -28.521 20.677 -31.538 1.00 53.44 ? 78 LEU o CD1 1 +ATOM 43949 C CD2 . LEU EA 13 76 ? -27.090 20.939 -29.513 1.00 57.32 ? 78 LEU o CD2 1 +ATOM 43950 N N . ASP EA 13 77 ? -30.694 23.736 -27.090 1.00 55.30 ? 79 ASP o N 1 +ATOM 43951 C CA . ASP EA 13 77 ? -31.839 24.453 -26.547 1.00 56.52 ? 79 ASP o CA 1 +ATOM 43952 C C . ASP EA 13 77 ? -31.608 25.955 -26.631 1.00 57.97 ? 79 ASP o C 1 +ATOM 43953 O O . ASP EA 13 77 ? -30.502 26.426 -26.913 1.00 56.11 ? 79 ASP o O 1 +ATOM 43954 C CB . ASP EA 13 77 ? -32.116 24.020 -25.102 1.00 62.02 ? 79 ASP o CB 1 +ATOM 43955 C CG . ASP EA 13 77 ? -33.519 24.384 -24.642 1.00 73.04 ? 79 ASP o CG 1 +ATOM 43956 O OD1 . ASP EA 13 77 ? -34.252 25.023 -25.441 1.00 65.52 ? 79 ASP o OD1 1 +ATOM 43957 O OD2 . ASP EA 13 77 ? -33.878 24.037 -23.490 1.00 70.25 ? 79 ASP o OD2 1 +ATOM 43958 N N . GLN EA 13 78 ? -32.688 26.702 -26.372 1.00 58.01 ? 80 GLN o N 1 +ATOM 43959 C CA . GLN EA 13 78 ? -32.669 28.166 -26.353 1.00 52.36 ? 80 GLN o CA 1 +ATOM 43960 C C . GLN EA 13 78 ? -32.211 28.713 -27.701 1.00 60.71 ? 80 GLN o C 1 +ATOM 43961 O O . GLN EA 13 78 ? -31.555 29.753 -27.786 1.00 66.78 ? 80 GLN o O 1 +ATOM 43962 C CB . GLN EA 13 78 ? -31.811 28.708 -25.199 1.00 52.95 ? 80 GLN o CB 1 +ATOM 43963 C CG . GLN EA 13 78 ? -32.285 28.198 -23.830 1.00 63.62 ? 80 GLN o CG 1 +ATOM 43964 C CD . GLN EA 13 78 ? -31.727 28.979 -22.643 1.00 99.63 ? 80 GLN o CD 1 +ATOM 43965 O OE1 . GLN EA 13 78 ? -31.971 30.184 -22.506 1.00 104.46 ? 80 GLN o OE1 1 +ATOM 43966 N NE2 . GLN EA 13 78 ? -30.991 28.290 -21.764 1.00 84.99 ? 80 GLN o NE2 1 +ATOM 43967 N N . ILE EA 13 79 ? -32.543 27.986 -28.755 1.00 65.58 ? 81 ILE o N 1 +ATOM 43968 C CA . ILE EA 13 79 ? -32.237 28.377 -30.119 1.00 67.44 ? 81 ILE o CA 1 +ATOM 43969 C C . ILE EA 13 79 ? -33.352 29.281 -30.609 1.00 63.02 ? 81 ILE o C 1 +ATOM 43970 O O . ILE EA 13 79 ? -34.536 29.015 -30.384 1.00 66.53 ? 81 ILE o O 1 +ATOM 43971 C CB . ILE EA 13 79 ? -32.064 27.127 -31.006 1.00 63.17 ? 81 ILE o CB 1 +ATOM 43972 C CG1 . ILE EA 13 79 ? -30.757 26.425 -30.630 1.00 64.00 ? 81 ILE o CG1 1 +ATOM 43973 C CG2 . ILE EA 13 79 ? -32.095 27.486 -32.492 1.00 52.16 ? 81 ILE o CG2 1 +ATOM 43974 C CD1 . ILE EA 13 79 ? -30.669 25.004 -31.075 1.00 54.97 ? 81 ILE o CD1 1 +ATOM 43975 N N . GLN EA 13 80 ? -32.974 30.378 -31.247 1.00 66.76 ? 82 GLN o N 1 +ATOM 43976 C CA . GLN EA 13 80 ? -33.950 31.325 -31.744 1.00 71.72 ? 82 GLN o CA 1 +ATOM 43977 C C . GLN EA 13 80 ? -33.515 31.804 -33.115 1.00 74.94 ? 82 GLN o C 1 +ATOM 43978 O O . GLN EA 13 80 ? -32.336 31.738 -33.476 1.00 65.69 ? 82 GLN o O 1 +ATOM 43979 C CB . GLN EA 13 80 ? -34.122 32.503 -30.779 1.00 73.72 ? 82 GLN o CB 1 +ATOM 43980 C CG . GLN EA 13 80 ? -32.849 33.258 -30.501 1.00 76.51 ? 82 GLN o CG 1 +ATOM 43981 C CD . GLN EA 13 80 ? -33.058 34.371 -29.483 1.00 117.93 ? 82 GLN o CD 1 +ATOM 43982 O OE1 . GLN EA 13 80 ? -33.811 34.211 -28.512 1.00 93.20 ? 82 GLN o OE1 1 +ATOM 43983 N NE2 . GLN EA 13 80 ? -32.402 35.510 -29.706 1.00 112.99 ? 82 GLN o NE2 1 +ATOM 43984 N N . GLY EA 13 81 ? -34.485 32.283 -33.879 1.00 77.50 ? 83 GLY o N 1 +ATOM 43985 C CA . GLY EA 13 81 ? -34.180 32.860 -35.174 1.00 85.94 ? 83 GLY o CA 1 +ATOM 43986 C C . GLY EA 13 81 ? -35.449 33.261 -35.893 1.00 71.02 ? 83 GLY o C 1 +ATOM 43987 O O . GLY EA 13 81 ? -36.567 33.009 -35.430 1.00 69.73 ? 83 GLY o O 1 +ATOM 43988 N N . GLU EA 13 82 ? -35.250 33.871 -37.054 1.00 79.87 ? 84 GLU o N 1 +ATOM 43989 C CA . GLU EA 13 82 ? -36.347 34.424 -37.834 1.00 91.05 ? 84 GLU o CA 1 +ATOM 43990 C C . GLU EA 13 82 ? -37.078 33.320 -38.591 1.00 79.80 ? 84 GLU o C 1 +ATOM 43991 O O . GLU EA 13 82 ? -36.446 32.453 -39.205 1.00 77.72 ? 84 GLU o O 1 +ATOM 43992 C CB . GLU EA 13 82 ? -35.809 35.468 -38.807 1.00 82.18 ? 84 GLU o CB 1 +ATOM 43993 C CG . GLU EA 13 82 ? -36.841 36.489 -39.232 1.00 124.66 ? 84 GLU o CG 1 +ATOM 43994 C CD . GLU EA 13 82 ? -36.586 37.030 -40.627 1.00 132.50 ? 84 GLU o CD 1 +ATOM 43995 O OE1 . GLU EA 13 82 ? -35.470 36.823 -41.168 1.00 118.95 ? 84 GLU o OE1 1 +ATOM 43996 O OE2 . GLU EA 13 82 ? -37.518 37.647 -41.187 1.00 140.00 ? 84 GLU o OE2 1 +ATOM 43997 N N . LEU EA 13 83 ? -38.405 33.340 -38.531 1.00 65.46 ? 85 LEU o N 1 +ATOM 43998 C CA . LEU EA 13 83 ? -39.238 32.455 -39.341 1.00 86.67 ? 85 LEU o CA 1 +ATOM 43999 C C . LEU EA 13 83 ? -39.862 33.308 -40.445 1.00 96.56 ? 85 LEU o C 1 +ATOM 44000 O O . LEU EA 13 83 ? -40.780 34.093 -40.183 1.00 93.38 ? 85 LEU o O 1 +ATOM 44001 C CB . LEU EA 13 83 ? -40.303 31.759 -38.492 1.00 66.88 ? 85 LEU o CB 1 +ATOM 44002 C CG . LEU EA 13 83 ? -41.170 30.712 -39.201 1.00 74.00 ? 85 LEU o CG 1 +ATOM 44003 C CD1 . LEU EA 13 83 ? -40.359 29.487 -39.601 1.00 73.09 ? 85 LEU o CD1 1 +ATOM 44004 C CD2 . LEU EA 13 83 ? -42.346 30.314 -38.339 1.00 73.62 ? 85 LEU o CD2 1 +ATOM 44005 N N . LYS EA 13 84 ? -39.352 33.166 -41.669 1.00 84.04 ? 86 LYS o N 1 +ATOM 44006 C CA . LYS EA 13 84 ? -39.781 33.962 -42.814 1.00 88.39 ? 86 LYS o CA 1 +ATOM 44007 C C . LYS EA 13 84 ? -40.837 33.231 -43.631 1.00 70.97 ? 86 LYS o C 1 +ATOM 44008 O O . LYS EA 13 84 ? -40.829 32.002 -43.734 1.00 83.13 ? 86 LYS o O 1 +ATOM 44009 C CB . LYS EA 13 84 ? -38.601 34.299 -43.726 1.00 79.89 ? 86 LYS o CB 1 +ATOM 44010 C CG . LYS EA 13 84 ? -37.386 34.821 -42.985 1.00 108.99 ? 86 LYS o CG 1 +ATOM 44011 C CD . LYS EA 13 84 ? -36.449 35.594 -43.910 1.00 120.24 ? 86 LYS o CD 1 +ATOM 44012 C CE . LYS EA 13 84 ? -35.673 34.675 -44.833 1.00 94.47 ? 86 LYS o CE 1 +ATOM 44013 N NZ . LYS EA 13 84 ? -34.447 35.355 -45.334 1.00 110.50 ? 86 LYS o NZ 1 +ATOM 44014 N N . VAL EA 13 85 ? -41.745 34.003 -44.220 1.00 74.94 ? 87 VAL o N 1 +ATOM 44015 C CA . VAL EA 13 85 ? -42.689 33.496 -45.208 1.00 89.60 ? 87 VAL o CA 1 +ATOM 44016 C C . VAL EA 13 85 ? -42.187 33.914 -46.580 1.00 79.16 ? 87 VAL o C 1 +ATOM 44017 O O . VAL EA 13 85 ? -41.892 35.092 -46.801 1.00 86.04 ? 87 VAL o O 1 +ATOM 44018 C CB . VAL EA 13 85 ? -44.111 34.021 -44.954 1.00 86.87 ? 87 VAL o CB 1 +ATOM 44019 C CG1 . VAL EA 13 85 ? -45.095 33.332 -45.884 1.00 83.71 ? 87 VAL o CG1 1 +ATOM 44020 C CG2 . VAL EA 13 85 ? -44.500 33.796 -43.500 1.00 81.71 ? 87 VAL o CG2 1 +ATOM 44021 N N . ASN EA 13 86 ? -42.060 32.953 -47.488 1.00 79.50 ? 88 ASN o N 1 +ATOM 44022 C CA . ASN EA 13 86 ? -41.508 33.201 -48.814 1.00 87.85 ? 88 ASN o CA 1 +ATOM 44023 C C . ASN EA 13 86 ? -42.614 33.421 -49.845 1.00 84.05 ? 88 ASN o C 1 +ATOM 44024 O O . ASN EA 13 86 ? -43.798 33.187 -49.591 1.00 69.23 ? 88 ASN o O 1 +ATOM 44025 C CB . ASN EA 13 86 ? -40.618 32.038 -49.263 1.00 71.51 ? 88 ASN o CB 1 +ATOM 44026 C CG . ASN EA 13 86 ? -39.473 31.772 -48.308 1.00 83.48 ? 88 ASN o CG 1 +ATOM 44027 O OD1 . ASN EA 13 86 ? -38.699 32.669 -47.973 1.00 69.54 ? 88 ASN o OD1 1 +ATOM 44028 N ND2 . ASN EA 13 86 ? -39.355 30.524 -47.872 1.00 66.90 ? 88 ASN o ND2 1 +ATOM 44029 N N . SER EA 13 87 ? -42.183 33.837 -51.044 1.00 81.24 ? 89 SER o N 1 +ATOM 44030 C CA . SER EA 13 87 ? -43.106 34.154 -52.138 1.00 89.64 ? 89 SER o CA 1 +ATOM 44031 C C . SER EA 13 87 ? -44.068 33.013 -52.427 1.00 80.94 ? 89 SER o C 1 +ATOM 44032 O O . SER EA 13 87 ? -45.227 33.248 -52.781 1.00 89.45 ? 89 SER o O 1 +ATOM 44033 C CB . SER EA 13 87 ? -42.320 34.496 -53.408 1.00 86.23 ? 89 SER o CB 1 +ATOM 44034 O OG . SER EA 13 87 ? -41.573 35.687 -53.235 1.00 100.55 ? 89 SER o OG 1 +ATOM 44035 N N . ASP EA 13 88 ? -43.606 31.770 -52.287 1.00 83.73 ? 90 ASP o N 1 +ATOM 44036 C CA . ASP EA 13 88 ? -44.415 30.602 -52.599 1.00 68.47 ? 90 ASP o CA 1 +ATOM 44037 C C . ASP EA 13 88 ? -45.162 30.056 -51.387 1.00 67.01 ? 90 ASP o C 1 +ATOM 44038 O O . ASP EA 13 88 ? -45.762 28.979 -51.475 1.00 75.57 ? 90 ASP o O 1 +ATOM 44039 C CB . ASP EA 13 88 ? -43.535 29.516 -53.224 1.00 83.26 ? 90 ASP o CB 1 +ATOM 44040 C CG . ASP EA 13 88 ? -42.594 28.866 -52.221 1.00 81.11 ? 90 ASP o CG 1 +ATOM 44041 O OD1 . ASP EA 13 88 ? -42.179 29.536 -51.251 1.00 87.91 ? 90 ASP o OD1 1 +ATOM 44042 O OD2 . ASP EA 13 88 ? -42.273 27.673 -52.405 1.00 89.15 ? 90 ASP o OD2 1 +ATOM 44043 N N . GLY EA 13 89 ? -45.144 30.771 -50.262 1.00 74.11 ? 91 GLY o N 1 +ATOM 44044 C CA . GLY EA 13 89 ? -45.893 30.367 -49.094 1.00 78.41 ? 91 GLY o CA 1 +ATOM 44045 C C . GLY EA 13 89 ? -45.192 29.376 -48.187 1.00 86.49 ? 91 GLY o C 1 +ATOM 44046 O O . GLY EA 13 89 ? -45.711 29.074 -47.102 1.00 82.28 ? 91 GLY o O 1 +ATOM 44047 N N . SER EA 13 90 ? -44.046 28.850 -48.597 1.00 81.60 ? 92 SER o N 1 +ATOM 44048 C CA . SER EA 13 90 ? -43.223 28.067 -47.694 1.00 83.71 ? 92 SER o CA 1 +ATOM 44049 C C . SER EA 13 90 ? -42.625 28.975 -46.623 1.00 88.13 ? 92 SER o C 1 +ATOM 44050 O O . SER EA 13 90 ? -42.457 30.185 -46.820 1.00 76.29 ? 92 SER o O 1 +ATOM 44051 C CB . SER EA 13 90 ? -42.111 27.363 -48.467 1.00 63.31 ? 92 SER o CB 1 +ATOM 44052 O OG . SER EA 13 90 ? -41.133 28.305 -48.876 1.00 74.17 ? 92 SER o OG 1 +ATOM 44053 N N . LEU EA 13 91 ? -42.310 28.381 -45.474 1.00 87.29 ? 93 LEU o N 1 +ATOM 44054 C CA . LEU EA 13 91 ? -41.630 29.083 -44.394 1.00 78.20 ? 93 LEU o CA 1 +ATOM 44055 C C . LEU EA 13 91 ? -40.159 28.681 -44.363 1.00 70.10 ? 93 LEU o C 1 +ATOM 44056 O O . LEU EA 13 91 ? -39.800 27.551 -44.696 1.00 68.99 ? 93 LEU o O 1 +ATOM 44057 C CB . LEU EA 13 91 ? -42.287 28.770 -43.052 1.00 77.65 ? 93 LEU o CB 1 +ATOM 44058 C CG . LEU EA 13 91 ? -43.819 28.722 -43.041 1.00 83.27 ? 93 LEU o CG 1 +ATOM 44059 C CD1 . LEU EA 13 91 ? -44.344 28.081 -41.751 1.00 88.68 ? 93 LEU o CD1 1 +ATOM 44060 C CD2 . LEU EA 13 91 ? -44.373 30.108 -43.189 1.00 77.84 ? 93 LEU o CD2 1 +ATOM 44061 N N . THR EA 13 92 ? -39.301 29.614 -43.960 1.00 69.79 ? 94 THR o N 1 +ATOM 44062 C CA . THR EA 13 92 ? -37.874 29.331 -43.827 1.00 78.33 ? 94 THR o CA 1 +ATOM 44063 C C . THR EA 13 92 ? -37.374 29.784 -42.464 1.00 77.25 ? 94 THR o C 1 +ATOM 44064 O O . THR EA 13 92 ? -37.368 30.985 -42.172 1.00 70.36 ? 94 THR o O 1 +ATOM 44065 C CB . THR EA 13 92 ? -37.066 30.007 -44.938 1.00 69.87 ? 94 THR o CB 1 +ATOM 44066 O OG1 . THR EA 13 92 ? -37.279 29.291 -46.151 1.00 77.43 ? 94 THR o OG1 1 +ATOM 44067 C CG2 . THR EA 13 92 ? -35.568 29.994 -44.614 1.00 68.41 ? 94 THR o CG2 1 +ATOM 44068 N N . PHE EA 13 93 ? -36.938 28.829 -41.639 1.00 73.54 ? 95 PHE o N 1 +ATOM 44069 C CA . PHE EA 13 93 ? -36.283 29.169 -40.382 1.00 66.29 ? 95 PHE o CA 1 +ATOM 44070 C C . PHE EA 13 93 ? -34.800 29.425 -40.629 1.00 56.43 ? 95 PHE o C 1 +ATOM 44071 O O . PHE EA 13 93 ? -34.137 28.649 -41.319 1.00 70.04 ? 95 PHE o O 1 +ATOM 44072 C CB . PHE EA 13 93 ? -36.468 28.054 -39.354 1.00 64.99 ? 95 PHE o CB 1 +ATOM 44073 C CG . PHE EA 13 93 ? -35.683 28.272 -38.094 1.00 72.25 ? 95 PHE o CG 1 +ATOM 44074 C CD1 . PHE EA 13 93 ? -35.974 29.346 -37.262 1.00 76.27 ? 95 PHE o CD1 1 +ATOM 44075 C CD2 . PHE EA 13 93 ? -34.641 27.429 -37.759 1.00 67.66 ? 95 PHE o CD2 1 +ATOM 44076 C CE1 . PHE EA 13 93 ? -35.244 29.573 -36.106 1.00 82.72 ? 95 PHE o CE1 1 +ATOM 44077 C CE2 . PHE EA 13 93 ? -33.900 27.639 -36.605 1.00 68.43 ? 95 PHE o CE2 1 +ATOM 44078 C CZ . PHE EA 13 93 ? -34.198 28.714 -35.775 1.00 85.87 ? 95 PHE o CZ 1 +ATOM 44079 N N . VAL EA 13 94 ? -34.291 30.529 -40.088 1.00 66.43 ? 96 VAL o N 1 +ATOM 44080 C CA . VAL EA 13 94 ? -32.878 30.914 -40.173 1.00 63.57 ? 96 VAL o CA 1 +ATOM 44081 C C . VAL EA 13 94 ? -32.372 31.045 -38.741 1.00 71.21 ? 96 VAL o C 1 +ATOM 44082 O O . VAL EA 13 94 ? -32.816 31.934 -38.004 1.00 63.98 ? 96 VAL o O 1 +ATOM 44083 C CB . VAL EA 13 94 ? -32.675 32.238 -40.929 1.00 75.27 ? 96 VAL o CB 1 +ATOM 44084 C CG1 . VAL EA 13 94 ? -31.190 32.607 -40.976 1.00 56.15 ? 96 VAL o CG1 1 +ATOM 44085 C CG2 . VAL EA 13 94 ? -33.285 32.173 -42.328 1.00 64.64 ? 96 VAL o CG2 1 +ATOM 44086 N N . GLU EA 13 95 ? -31.445 30.178 -38.340 1.00 75.56 ? 97 GLU o N 1 +ATOM 44087 C CA . GLU EA 13 95 ? -30.991 30.202 -36.956 1.00 68.30 ? 97 GLU o CA 1 +ATOM 44088 C C . GLU EA 13 95 ? -30.144 31.442 -36.708 1.00 73.83 ? 97 GLU o C 1 +ATOM 44089 O O . GLU EA 13 95 ? -29.337 31.847 -37.551 1.00 66.92 ? 97 GLU o O 1 +ATOM 44090 C CB . GLU EA 13 95 ? -30.198 28.945 -36.611 1.00 67.54 ? 97 GLU o CB 1 +ATOM 44091 C CG . GLU EA 13 95 ? -29.916 28.799 -35.113 1.00 75.26 ? 97 GLU o CG 1 +ATOM 44092 C CD . GLU EA 13 95 ? -28.445 28.577 -34.800 1.00 70.30 ? 97 GLU o CD 1 +ATOM 44093 O OE1 . GLU EA 13 95 ? -27.611 28.651 -35.729 1.00 71.17 ? 97 GLU o OE1 1 +ATOM 44094 O OE2 . GLU EA 13 95 ? -28.126 28.339 -33.618 1.00 69.73 ? 97 GLU o OE2 1 +ATOM 44095 N N . GLU EA 13 96 ? -30.353 32.059 -35.550 1.00 62.10 ? 98 GLU o N 1 +ATOM 44096 C CA . GLU EA 13 96 ? -29.661 33.280 -35.173 1.00 81.67 ? 98 GLU o CA 1 +ATOM 44097 C C . GLU EA 13 96 ? -28.651 33.032 -34.064 1.00 79.27 ? 98 GLU o C 1 +ATOM 44098 O O . GLU EA 13 96 ? -27.486 33.430 -34.173 1.00 77.38 ? 98 GLU o O 1 +ATOM 44099 C CB . GLU EA 13 96 ? -30.693 34.334 -34.738 1.00 77.10 ? 98 GLU o CB 1 +ATOM 44100 C CG . GLU EA 13 96 ? -30.129 35.717 -34.508 1.00 110.65 ? 98 GLU o CG 1 +ATOM 44101 C CD . GLU EA 13 96 ? -31.088 36.639 -33.751 1.00 139.27 ? 98 GLU o CD 1 +ATOM 44102 O OE1 . GLU EA 13 96 ? -32.137 36.152 -33.263 1.00 128.14 ? 98 GLU o OE1 1 +ATOM 44103 O OE2 . GLU EA 13 96 ? -30.786 37.851 -33.641 1.00 137.89 ? 98 GLU o OE2 1 +ATOM 44104 N N . ASP EA 13 97 ? -29.067 32.336 -33.013 1.00 69.81 ? 99 ASP o N 1 +ATOM 44105 C CA . ASP EA 13 97 ? -28.221 32.097 -31.855 1.00 68.79 ? 99 ASP o CA 1 +ATOM 44106 C C . ASP EA 13 97 ? -28.856 30.989 -31.031 1.00 64.67 ? 99 ASP o C 1 +ATOM 44107 O O . ASP EA 13 97 ? -30.017 30.620 -31.236 1.00 70.23 ? 99 ASP o O 1 +ATOM 44108 C CB . ASP EA 13 97 ? -28.058 33.371 -31.019 1.00 69.18 ? 99 ASP o CB 1 +ATOM 44109 C CG . ASP EA 13 97 ? -26.921 33.274 -30.024 1.00 72.18 ? 99 ASP o CG 1 +ATOM 44110 O OD1 . ASP EA 13 97 ? -26.062 32.373 -30.146 1.00 79.45 ? 99 ASP o OD1 1 +ATOM 44111 O OD2 . ASP EA 13 97 ? -26.892 34.105 -29.107 1.00 78.65 ? 99 ASP o OD2 1 +ATOM 44112 N N . GLY EA 13 98 ? -28.087 30.475 -30.091 1.00 61.11 ? 100 GLY o N 1 +ATOM 44113 C CA . GLY EA 13 98 ? -28.613 29.559 -29.100 1.00 55.80 ? 100 GLY o CA 1 +ATOM 44114 C C . GLY EA 13 98 ? -27.507 28.675 -28.563 1.00 64.97 ? 100 GLY o C 1 +ATOM 44115 O O . GLY EA 13 98 ? -26.333 28.834 -28.881 1.00 56.08 ? 100 GLY o O 1 +ATOM 44116 N N . ILE EA 13 99 ? -27.910 27.732 -27.720 1.00 58.99 ? 101 ILE o N 1 +ATOM 44117 C CA . ILE EA 13 99 ? -27.001 26.670 -27.294 1.00 57.73 ? 101 ILE o CA 1 +ATOM 44118 C C . ILE EA 13 99 ? -27.152 25.583 -28.353 1.00 53.84 ? 101 ILE o C 1 +ATOM 44119 O O . ILE EA 13 99 ? -27.973 24.680 -28.238 1.00 59.99 ? 101 ILE o O 1 +ATOM 44120 C CB . ILE EA 13 99 ? -27.294 26.196 -25.870 1.00 59.65 ? 101 ILE o CB 1 +ATOM 44121 C CG1 . ILE EA 13 99 ? -26.997 27.352 -24.915 1.00 63.39 ? 101 ILE o CG1 1 +ATOM 44122 C CG2 . ILE EA 13 99 ? -26.447 25.009 -25.517 1.00 59.18 ? 101 ILE o CG2 1 +ATOM 44123 C CD1 . ILE EA 13 99 ? -27.920 27.417 -23.716 1.00 74.07 ? 101 ILE o CD1 1 +ATOM 44124 N N . ASP EA 13 100 ? -26.363 25.708 -29.431 1.00 53.60 ? 102 ASP o N 1 +ATOM 44125 C CA . ASP EA 13 100 ? -26.634 25.021 -30.689 1.00 51.54 ? 102 ASP o CA 1 +ATOM 44126 C C . ASP EA 13 100 ? -25.601 23.947 -31.021 1.00 56.13 ? 102 ASP o C 1 +ATOM 44127 O O . ASP EA 13 100 ? -25.544 23.480 -32.162 1.00 56.02 ? 102 ASP o O 1 +ATOM 44128 C CB . ASP EA 13 100 ? -26.782 26.026 -31.853 1.00 54.72 ? 102 ASP o CB 1 +ATOM 44129 C CG . ASP EA 13 100 ? -25.525 26.875 -32.122 1.00 59.19 ? 102 ASP o CG 1 +ATOM 44130 O OD1 . ASP EA 13 100 ? -24.444 26.633 -31.549 1.00 55.57 ? 102 ASP o OD1 1 +ATOM 44131 O OD2 . ASP EA 13 100 ? -25.627 27.821 -32.933 1.00 62.50 ? 102 ASP o OD2 1 +ATOM 44132 N N . PHE EA 13 101 ? -24.830 23.506 -30.033 1.00 56.85 ? 103 PHE o N 1 +ATOM 44133 C CA . PHE EA 13 101 ? -23.867 22.427 -30.193 1.00 55.90 ? 103 PHE o CA 1 +ATOM 44134 C C . PHE EA 13 101 ? -23.674 21.770 -28.825 1.00 53.05 ? 103 PHE o C 1 +ATOM 44135 O O . PHE EA 13 101 ? -23.788 22.432 -27.789 1.00 52.98 ? 103 PHE o O 1 +ATOM 44136 C CB . PHE EA 13 101 ? -22.534 22.959 -30.720 1.00 43.46 ? 103 PHE o CB 1 +ATOM 44137 C CG . PHE EA 13 101 ? -21.814 23.800 -29.723 1.00 50.52 ? 103 PHE o CG 1 +ATOM 44138 C CD1 . PHE EA 13 101 ? -22.172 25.128 -29.536 1.00 50.77 ? 103 PHE o CD1 1 +ATOM 44139 C CD2 . PHE EA 13 101 ? -20.828 23.249 -28.911 1.00 50.47 ? 103 PHE o CD2 1 +ATOM 44140 C CE1 . PHE EA 13 101 ? -21.522 25.918 -28.571 1.00 56.41 ? 103 PHE o CE1 1 +ATOM 44141 C CE2 . PHE EA 13 101 ? -20.167 24.017 -27.951 1.00 50.70 ? 103 PHE o CE2 1 +ATOM 44142 C CZ . PHE EA 13 101 ? -20.515 25.353 -27.768 1.00 50.60 ? 103 PHE o CZ 1 +ATOM 44143 N N . GLN EA 13 102 ? -23.364 20.469 -28.835 1.00 48.91 ? 104 GLN o N 1 +ATOM 44144 C CA . GLN EA 13 102 ? -22.958 19.689 -27.666 1.00 50.96 ? 104 GLN o CA 1 +ATOM 44145 C C . GLN EA 13 102 ? -21.947 18.681 -28.202 1.00 52.12 ? 104 GLN o C 1 +ATOM 44146 O O . GLN EA 13 102 ? -22.274 17.908 -29.127 1.00 52.83 ? 104 GLN o O 1 +ATOM 44147 C CB . GLN EA 13 102 ? -24.091 18.927 -26.945 1.00 50.23 ? 104 GLN o CB 1 +ATOM 44148 C CG . GLN EA 13 102 ? -25.194 19.792 -26.325 1.00 51.31 ? 104 GLN o CG 1 +ATOM 44149 C CD . GLN EA 13 102 ? -24.692 20.689 -25.235 1.00 53.50 ? 104 GLN o CD 1 +ATOM 44150 O OE1 . GLN EA 13 102 ? -23.579 20.510 -24.723 1.00 54.07 ? 104 GLN o OE1 1 +ATOM 44151 N NE2 . GLN EA 13 102 ? -25.505 21.680 -24.868 1.00 55.75 ? 104 GLN o NE2 1 +ATOM 44152 N N . PRO EA 13 103 ? -20.737 18.635 -27.651 1.00 61.12 ? 105 PRO o N 1 +ATOM 44153 C CA . PRO EA 13 103 ? -19.886 17.455 -27.872 1.00 42.54 ? 105 PRO o CA 1 +ATOM 44154 C C . PRO EA 13 103 ? -20.519 16.228 -27.228 1.00 45.88 ? 105 PRO o C 1 +ATOM 44155 O O . PRO EA 13 103 ? -21.072 16.289 -26.118 1.00 51.34 ? 105 PRO o O 1 +ATOM 44156 C CB . PRO EA 13 103 ? -18.556 17.832 -27.215 1.00 50.30 ? 105 PRO o CB 1 +ATOM 44157 C CG . PRO EA 13 103 ? -18.901 18.978 -26.244 1.00 50.50 ? 105 PRO o CG 1 +ATOM 44158 C CD . PRO EA 13 103 ? -20.141 19.638 -26.747 1.00 53.59 ? 105 PRO o CD 1 +ATOM 44159 N N . VAL EA 13 104 ? -20.471 15.118 -27.960 1.00 42.17 ? 106 VAL o N 1 +ATOM 44160 C CA . VAL EA 13 104 ? -21.033 13.838 -27.537 1.00 47.55 ? 106 VAL o CA 1 +ATOM 44161 C C . VAL EA 13 104 ? -20.002 12.751 -27.818 1.00 50.85 ? 106 VAL o C 1 +ATOM 44162 O O . VAL EA 13 104 ? -19.353 12.771 -28.870 1.00 50.02 ? 106 VAL o O 1 +ATOM 44163 C CB . VAL EA 13 104 ? -22.353 13.532 -28.284 1.00 53.60 ? 106 VAL o CB 1 +ATOM 44164 C CG1 . VAL EA 13 104 ? -22.914 12.184 -27.872 1.00 46.05 ? 106 VAL o CG1 1 +ATOM 44165 C CG2 . VAL EA 13 104 ? -23.378 14.638 -28.054 1.00 48.88 ? 106 VAL o CG2 1 +ATOM 44166 N N . THR EA 13 105 ? -19.839 11.805 -26.890 1.00 44.44 ? 107 THR o N 1 +ATOM 44167 C CA . THR EA 13 105 ? -19.074 10.595 -27.192 1.00 46.13 ? 107 THR o CA 1 +ATOM 44168 C C . THR EA 13 105 ? -19.962 9.372 -27.020 1.00 48.44 ? 107 THR o C 1 +ATOM 44169 O O . THR EA 13 105 ? -20.529 9.143 -25.942 1.00 53.87 ? 107 THR o O 1 +ATOM 44170 C CB . THR EA 13 105 ? -17.803 10.468 -26.344 1.00 47.47 ? 107 THR o CB 1 +ATOM 44171 O OG1 . THR EA 13 105 ? -16.938 11.587 -26.596 1.00 50.82 ? 107 THR o OG1 1 +ATOM 44172 C CG2 . THR EA 13 105 ? -17.059 9.197 -26.710 1.00 39.69 ? 107 THR o CG2 1 +ATOM 44173 N N . VAL EA 13 106 ? -20.093 8.601 -28.090 1.00 49.49 ? 108 VAL o N 1 +ATOM 44174 C CA . VAL EA 13 106 ? -20.792 7.329 -28.058 1.00 52.10 ? 108 VAL o CA 1 +ATOM 44175 C C . VAL EA 13 106 ? -19.765 6.216 -28.231 1.00 59.64 ? 108 VAL o C 1 +ATOM 44176 O O . VAL EA 13 106 ? -18.656 6.423 -28.734 1.00 55.13 ? 108 VAL o O 1 +ATOM 44177 C CB . VAL EA 13 106 ? -21.908 7.248 -29.130 1.00 53.67 ? 108 VAL o CB 1 +ATOM 44178 C CG1 . VAL EA 13 106 ? -22.914 8.358 -28.938 1.00 53.77 ? 108 VAL o CG1 1 +ATOM 44179 C CG2 . VAL EA 13 106 ? -21.329 7.313 -30.521 1.00 48.26 ? 108 VAL o CG2 1 +ATOM 44180 N N . GLN EA 13 107 ? -20.148 5.019 -27.811 1.00 55.59 ? 109 GLN o N 1 +ATOM 44181 C CA . GLN EA 13 107 ? -19.261 3.866 -27.823 1.00 58.20 ? 109 GLN o CA 1 +ATOM 44182 C C . GLN EA 13 107 ? -19.921 2.739 -28.602 1.00 51.81 ? 109 GLN o C 1 +ATOM 44183 O O . GLN EA 13 107 ? -21.090 2.423 -28.369 1.00 51.16 ? 109 GLN o O 1 +ATOM 44184 C CB . GLN EA 13 107 ? -18.921 3.432 -26.388 1.00 53.66 ? 109 GLN o CB 1 +ATOM 44185 C CG . GLN EA 13 107 ? -17.870 2.342 -26.325 1.00 64.23 ? 109 GLN o CG 1 +ATOM 44186 C CD . GLN EA 13 107 ? -17.234 2.194 -24.957 1.00 55.44 ? 109 GLN o CD 1 +ATOM 44187 O OE1 . GLN EA 13 107 ? -16.713 3.150 -24.388 1.00 57.35 ? 109 GLN o OE1 1 +ATOM 44188 N NE2 . GLN EA 13 107 ? -17.249 0.976 -24.435 1.00 55.65 ? 109 GLN o NE2 1 +ATOM 44189 N N . MET EA 13 108 ? -19.185 2.185 -29.567 1.00 52.28 ? 110 MET o N 1 +ATOM 44190 C CA . MET EA 13 108 ? -19.593 1.035 -30.362 1.00 59.04 ? 110 MET o CA 1 +ATOM 44191 C C . MET EA 13 108 ? -19.259 -0.278 -29.661 1.00 54.62 ? 110 MET o C 1 +ATOM 44192 O O . MET EA 13 108 ? -18.412 -0.340 -28.768 1.00 48.93 ? 110 MET o O 1 +ATOM 44193 C CB . MET EA 13 108 ? -18.908 1.045 -31.725 1.00 62.53 ? 110 MET o CB 1 +ATOM 44194 C CG . MET EA 13 108 ? -18.965 2.380 -32.438 1.00 76.04 ? 110 MET o CG 1 +ATOM 44195 S SD . MET EA 13 108 ? -18.806 2.160 -34.206 1.00 82.48 ? 110 MET o SD 1 +ATOM 44196 C CE . MET EA 13 108 ? -17.359 1.105 -34.304 1.00 70.72 ? 110 MET o CE 1 +ATOM 44197 N N . ALA EA 13 109 ? -19.941 -1.333 -30.099 1.00 55.98 ? 111 ALA o N 1 +ATOM 44198 C CA . ALA EA 13 109 ? -19.585 -2.695 -29.723 1.00 60.00 ? 111 ALA o CA 1 +ATOM 44199 C C . ALA EA 13 109 ? -18.096 -2.926 -29.935 1.00 60.75 ? 111 ALA o C 1 +ATOM 44200 O O . ALA EA 13 109 ? -17.555 -2.616 -30.994 1.00 63.73 ? 111 ALA o O 1 +ATOM 44201 C CB . ALA EA 13 109 ? -20.396 -3.685 -30.558 1.00 58.61 ? 111 ALA o CB 1 +ATOM 44202 N N . GLY EA 13 110 ? -17.425 -3.448 -28.919 1.00 60.96 ? 112 GLY o N 1 +ATOM 44203 C CA . GLY EA 13 110 ? -15.999 -3.656 -29.005 1.00 58.94 ? 112 GLY o CA 1 +ATOM 44204 C C . GLY EA 13 110 ? -15.160 -2.558 -28.394 1.00 63.60 ? 112 GLY o C 1 +ATOM 44205 O O . GLY EA 13 110 ? -13.940 -2.731 -28.273 1.00 57.76 ? 112 GLY o O 1 +ATOM 44206 N N . GLY EA 13 111 ? -15.767 -1.426 -28.029 1.00 57.05 ? 113 GLY o N 1 +ATOM 44207 C CA . GLY EA 13 111 ? -15.110 -0.425 -27.221 1.00 49.79 ? 113 GLY o CA 1 +ATOM 44208 C C . GLY EA 13 111 ? -14.683 0.837 -27.940 1.00 54.40 ? 113 GLY o C 1 +ATOM 44209 O O . GLY EA 13 111 ? -14.234 1.773 -27.267 1.00 56.71 ? 113 GLY o O 1 +ATOM 44210 N N . GLU EA 13 112 ? -14.812 0.920 -29.262 1.00 53.66 ? 114 GLU o N 1 +ATOM 44211 C CA . GLU EA 13 112 ? -14.370 2.123 -29.957 1.00 61.12 ? 114 GLU o CA 1 +ATOM 44212 C C . GLU EA 13 112 ? -15.268 3.319 -29.619 1.00 57.17 ? 114 GLU o C 1 +ATOM 44213 O O . GLU EA 13 112 ? -16.498 3.240 -29.714 1.00 56.72 ? 114 GLU o O 1 +ATOM 44214 C CB . GLU EA 13 112 ? -14.335 1.898 -31.463 1.00 53.29 ? 114 GLU o CB 1 +ATOM 44215 C CG . GLU EA 13 112 ? -13.769 3.103 -32.195 1.00 68.96 ? 114 GLU o CG 1 +ATOM 44216 C CD . GLU EA 13 112 ? -13.776 2.977 -33.715 1.00 88.04 ? 114 GLU o CD 1 +ATOM 44217 O OE1 . GLU EA 13 112 ? -14.205 1.923 -34.248 1.00 83.76 ? 114 GLU o OE1 1 +ATOM 44218 O OE2 . GLU EA 13 112 ? -13.347 3.953 -34.378 1.00 98.32 ? 114 GLU o OE2 1 +ATOM 44219 N N . ARG EA 13 113 ? -14.647 4.430 -29.234 1.00 48.29 ? 115 ARG o N 1 +ATOM 44220 C CA . ARG EA 13 113 ? -15.357 5.664 -28.913 1.00 53.59 ? 115 ARG o CA 1 +ATOM 44221 C C . ARG EA 13 113 ? -15.394 6.594 -30.119 1.00 52.05 ? 115 ARG o C 1 +ATOM 44222 O O . ARG EA 13 113 ? -14.369 6.809 -30.781 1.00 52.48 ? 115 ARG o O 1 +ATOM 44223 C CB . ARG EA 13 113 ? -14.711 6.373 -27.726 1.00 52.42 ? 115 ARG o CB 1 +ATOM 44224 C CG . ARG EA 13 113 ? -15.040 5.704 -26.438 1.00 60.58 ? 115 ARG o CG 1 +ATOM 44225 C CD . ARG EA 13 113 ? -13.868 5.736 -25.556 1.00 55.67 ? 115 ARG o CD 1 +ATOM 44226 N NE . ARG EA 13 113 ? -14.162 5.123 -24.269 1.00 51.72 ? 115 ARG o NE 1 +ATOM 44227 C CZ . ARG EA 13 113 ? -13.419 5.324 -23.191 1.00 56.19 ? 115 ARG o CZ 1 +ATOM 44228 N NH1 . ARG EA 13 113 ? -12.333 6.088 -23.242 1.00 50.50 ? 115 ARG o NH1 1 +ATOM 44229 N NH2 . ARG EA 13 113 ? -13.772 4.750 -22.039 1.00 46.86 ? 115 ARG o NH2 1 +ATOM 44230 N N . ILE EA 13 114 ? -16.571 7.144 -30.385 1.00 51.11 ? 116 ILE o N 1 +ATOM 44231 C CA . ILE EA 13 114 ? -16.812 8.040 -31.509 1.00 45.58 ? 116 ILE o CA 1 +ATOM 44232 C C . ILE EA 13 114 ? -17.248 9.379 -30.944 1.00 49.12 ? 116 ILE o C 1 +ATOM 44233 O O . ILE EA 13 114 ? -18.393 9.544 -30.526 1.00 51.55 ? 116 ILE o O 1 +ATOM 44234 C CB . ILE EA 13 114 ? -17.883 7.480 -32.465 1.00 56.02 ? 116 ILE o CB 1 +ATOM 44235 C CG1 . ILE EA 13 114 ? -17.513 6.070 -32.950 1.00 56.23 ? 116 ILE o CG1 1 +ATOM 44236 C CG2 . ILE EA 13 114 ? -18.104 8.415 -33.651 1.00 48.62 ? 116 ILE o CG2 1 +ATOM 44237 C CD1 . ILE EA 13 114 ? -16.323 6.020 -33.873 1.00 54.50 ? 116 ILE o CD1 1 +ATOM 44238 N N . PRO EA 13 115 ? -16.360 10.362 -30.902 1.00 52.62 ? 117 PRO o N 1 +ATOM 44239 C CA . PRO EA 13 115 ? -16.784 11.707 -30.509 1.00 57.20 ? 117 PRO o CA 1 +ATOM 44240 C C . PRO EA 13 115 ? -17.351 12.467 -31.706 1.00 54.39 ? 117 PRO o C 1 +ATOM 44241 O O . PRO EA 13 115 ? -16.887 12.334 -32.841 1.00 53.87 ? 117 PRO o O 1 +ATOM 44242 C CB . PRO EA 13 115 ? -15.494 12.349 -29.986 1.00 48.75 ? 117 PRO o CB 1 +ATOM 44243 C CG . PRO EA 13 115 ? -14.381 11.378 -30.266 1.00 56.59 ? 117 PRO o CG 1 +ATOM 44244 C CD . PRO EA 13 115 ? -14.918 10.294 -31.166 1.00 58.08 ? 117 PRO o CD 1 +ATOM 44245 N N . LEU EA 13 116 ? -18.379 13.262 -31.439 1.00 50.99 ? 118 LEU o N 1 +ATOM 44246 C CA . LEU EA 13 116 ? -18.979 14.084 -32.471 1.00 52.23 ? 118 LEU o CA 1 +ATOM 44247 C C . LEU EA 13 116 ? -19.468 15.387 -31.854 1.00 51.66 ? 118 LEU o C 1 +ATOM 44248 O O . LEU EA 13 116 ? -19.797 15.452 -30.669 1.00 57.53 ? 118 LEU o O 1 +ATOM 44249 C CB . LEU EA 13 116 ? -20.136 13.348 -33.181 1.00 50.93 ? 118 LEU o CB 1 +ATOM 44250 C CG . LEU EA 13 116 ? -21.394 13.127 -32.340 1.00 54.43 ? 118 LEU o CG 1 +ATOM 44251 C CD1 . LEU EA 13 116 ? -22.635 13.544 -33.133 1.00 58.48 ? 118 LEU o CD1 1 +ATOM 44252 C CD2 . LEU EA 13 116 ? -21.474 11.657 -31.944 1.00 53.14 ? 118 LEU o CD2 1 +ATOM 44253 N N . LEU EA 13 117 ? -19.489 16.433 -32.673 1.00 51.90 ? 119 LEU o N 1 +ATOM 44254 C CA . LEU EA 13 117 ? -20.102 17.700 -32.302 1.00 52.32 ? 119 LEU o CA 1 +ATOM 44255 C C . LEU EA 13 117 ? -21.542 17.682 -32.807 1.00 52.00 ? 119 LEU o C 1 +ATOM 44256 O O . LEU EA 13 117 ? -21.810 17.986 -33.967 1.00 53.87 ? 119 LEU o O 1 +ATOM 44257 C CB . LEU EA 13 117 ? -19.308 18.860 -32.884 1.00 53.06 ? 119 LEU o CB 1 +ATOM 44258 C CG . LEU EA 13 117 ? -19.563 20.236 -32.273 1.00 66.95 ? 119 LEU o CG 1 +ATOM 44259 C CD1 . LEU EA 13 117 ? -18.808 20.413 -30.950 1.00 50.08 ? 119 LEU o CD1 1 +ATOM 44260 C CD2 . LEU EA 13 117 ? -19.191 21.324 -33.277 1.00 61.28 ? 119 LEU o CD2 1 +ATOM 44261 N N . PHE EA 13 118 ? -22.474 17.303 -31.940 1.00 47.64 ? 120 PHE o N 1 +ATOM 44262 C CA . PHE EA 13 118 ? -23.889 17.362 -32.291 1.00 56.41 ? 120 PHE o CA 1 +ATOM 44263 C C . PHE EA 13 118 ? -24.334 18.821 -32.372 1.00 57.57 ? 120 PHE o C 1 +ATOM 44264 O O . PHE EA 13 118 ? -24.191 19.576 -31.402 1.00 57.24 ? 120 PHE o O 1 +ATOM 44265 C CB . PHE EA 13 118 ? -24.709 16.592 -31.257 1.00 55.18 ? 120 PHE o CB 1 +ATOM 44266 C CG . PHE EA 13 118 ? -26.186 16.708 -31.459 1.00 61.17 ? 120 PHE o CG 1 +ATOM 44267 C CD1 . PHE EA 13 118 ? -26.745 16.473 -32.710 1.00 63.89 ? 120 PHE o CD1 1 +ATOM 44268 C CD2 . PHE EA 13 118 ? -27.022 17.042 -30.405 1.00 52.87 ? 120 PHE o CD2 1 +ATOM 44269 C CE1 . PHE EA 13 118 ? -28.118 16.585 -32.910 1.00 59.34 ? 120 PHE o CE1 1 +ATOM 44270 C CE2 . PHE EA 13 118 ? -28.396 17.149 -30.592 1.00 63.39 ? 120 PHE o CE2 1 +ATOM 44271 C CZ . PHE EA 13 118 ? -28.943 16.925 -31.854 1.00 61.42 ? 120 PHE o CZ 1 +ATOM 44272 N N . THR EA 13 119 ? -24.866 19.231 -33.519 1.00 52.84 ? 121 THR o N 1 +ATOM 44273 C CA . THR EA 13 119 ? -25.053 20.661 -33.744 1.00 53.47 ? 121 THR o CA 1 +ATOM 44274 C C . THR EA 13 119 ? -26.062 20.912 -34.859 1.00 57.60 ? 121 THR o C 1 +ATOM 44275 O O . THR EA 13 119 ? -26.340 20.035 -35.681 1.00 55.28 ? 121 THR o O 1 +ATOM 44276 C CB . THR EA 13 119 ? -23.717 21.325 -34.077 1.00 48.17 ? 121 THR o CB 1 +ATOM 44277 O OG1 . THR EA 13 119 ? -23.863 22.754 -34.027 1.00 53.45 ? 121 THR o OG1 1 +ATOM 44278 C CG2 . THR EA 13 119 ? -23.219 20.891 -35.445 1.00 44.05 ? 121 THR o CG2 1 +ATOM 44279 N N . VAL EA 13 120 ? -26.627 22.126 -34.850 1.00 51.67 ? 122 VAL o N 1 +ATOM 44280 C CA . VAL EA 13 120 ? -27.415 22.670 -35.959 1.00 55.86 ? 122 VAL o CA 1 +ATOM 44281 C C . VAL EA 13 120 ? -26.942 24.085 -36.267 1.00 61.79 ? 122 VAL o C 1 +ATOM 44282 O O . VAL EA 13 120 ? -27.747 24.945 -36.650 1.00 57.60 ? 122 VAL o O 1 +ATOM 44283 C CB . VAL EA 13 120 ? -28.930 22.684 -35.668 1.00 50.36 ? 122 VAL o CB 1 +ATOM 44284 C CG1 . VAL EA 13 120 ? -29.479 21.282 -35.594 1.00 51.43 ? 122 VAL o CG1 1 +ATOM 44285 C CG2 . VAL EA 13 120 ? -29.239 23.480 -34.388 1.00 64.04 ? 122 VAL o CG2 1 +ATOM 44286 N N . LYS EA 13 121 ? -25.640 24.336 -36.099 1.00 51.62 ? 123 LYS o N 1 +ATOM 44287 C CA . LYS EA 13 121 ? -25.087 25.676 -36.279 1.00 58.97 ? 123 LYS o CA 1 +ATOM 44288 C C . LYS EA 13 121 ? -25.391 26.228 -37.673 1.00 59.99 ? 123 LYS o C 1 +ATOM 44289 O O . LYS EA 13 121 ? -25.163 25.559 -38.691 1.00 60.51 ? 123 LYS o O 1 +ATOM 44290 C CB . LYS EA 13 121 ? -23.576 25.655 -36.043 1.00 50.03 ? 123 LYS o CB 1 +ATOM 44291 C CG . LYS EA 13 121 ? -23.169 25.774 -34.600 1.00 58.17 ? 123 LYS o CG 1 +ATOM 44292 C CD . LYS EA 13 121 ? -21.662 25.941 -34.448 1.00 61.42 ? 123 LYS o CD 1 +ATOM 44293 C CE . LYS EA 13 121 ? -21.280 26.127 -32.974 1.00 57.45 ? 123 LYS o CE 1 +ATOM 44294 N NZ . LYS EA 13 121 ? -21.994 27.279 -32.363 1.00 52.58 ? 123 LYS o NZ 1 +ATOM 44295 N N . ASN EA 13 122 ? -25.905 27.460 -37.711 1.00 64.48 ? 124 ASN o N 1 +ATOM 44296 C CA . ASN EA 13 122 ? -26.267 28.120 -38.966 1.00 60.04 ? 124 ASN o CA 1 +ATOM 44297 C C . ASN EA 13 122 ? -27.383 27.389 -39.688 1.00 57.26 ? 124 ASN o C 1 +ATOM 44298 O O . ASN EA 13 122 ? -27.419 27.371 -40.915 1.00 60.14 ? 124 ASN o O 1 +ATOM 44299 C CB . ASN EA 13 122 ? -25.070 28.247 -39.905 1.00 59.58 ? 124 ASN o CB 1 +ATOM 44300 C CG . ASN EA 13 122 ? -23.914 28.928 -39.260 1.00 78.05 ? 124 ASN o CG 1 +ATOM 44301 O OD1 . ASN EA 13 122 ? -22.865 28.321 -39.047 1.00 110.66 ? 124 ASN o OD1 1 +ATOM 44302 N ND2 . ASN EA 13 122 ? -24.089 30.196 -38.927 1.00 79.31 ? 124 ASN o ND2 1 +ATOM 44303 N N . LEU EA 13 123 ? -28.279 26.758 -38.941 1.00 60.30 ? 125 LEU o N 1 +ATOM 44304 C CA . LEU EA 13 123 ? -29.376 26.033 -39.565 1.00 59.66 ? 125 LEU o CA 1 +ATOM 44305 C C . LEU EA 13 123 ? -30.209 26.964 -40.447 1.00 68.57 ? 125 LEU o C 1 +ATOM 44306 O O . LEU EA 13 123 ? -30.574 28.073 -40.046 1.00 59.12 ? 125 LEU o O 1 +ATOM 44307 C CB . LEU EA 13 123 ? -30.256 25.392 -38.492 1.00 62.02 ? 125 LEU o CB 1 +ATOM 44308 C CG . LEU EA 13 123 ? -31.452 24.613 -39.029 1.00 64.56 ? 125 LEU o CG 1 +ATOM 44309 C CD1 . LEU EA 13 123 ? -30.991 23.419 -39.864 1.00 65.33 ? 125 LEU o CD1 1 +ATOM 44310 C CD2 . LEU EA 13 123 ? -32.352 24.199 -37.886 1.00 62.36 ? 125 LEU o CD2 1 +ATOM 44311 N N . VAL EA 13 124 ? -30.478 26.520 -41.667 1.00 61.93 ? 126 VAL o N 1 +ATOM 44312 C CA . VAL EA 13 124 ? -31.511 27.103 -42.514 1.00 70.84 ? 126 VAL o CA 1 +ATOM 44313 C C . VAL EA 13 124 ? -32.437 25.961 -42.896 1.00 62.16 ? 126 VAL o C 1 +ATOM 44314 O O . VAL EA 13 124 ? -31.977 24.951 -43.434 1.00 61.65 ? 126 VAL o O 1 +ATOM 44315 C CB . VAL EA 13 124 ? -30.923 27.795 -43.755 1.00 73.24 ? 126 VAL o CB 1 +ATOM 44316 C CG1 . VAL EA 13 124 ? -32.049 28.338 -44.656 1.00 65.33 ? 126 VAL o CG1 1 +ATOM 44317 C CG2 . VAL EA 13 124 ? -29.981 28.916 -43.332 1.00 61.13 ? 126 VAL o CG2 1 +ATOM 44318 N N . ALA EA 13 125 ? -33.723 26.090 -42.572 1.00 65.09 ? 127 ALA o N 1 +ATOM 44319 C CA . ALA EA 13 125 ? -34.672 25.005 -42.792 1.00 67.42 ? 127 ALA o CA 1 +ATOM 44320 C C . ALA EA 13 125 ? -35.977 25.555 -43.349 1.00 71.68 ? 127 ALA o C 1 +ATOM 44321 O O . ALA EA 13 125 ? -36.491 26.559 -42.853 1.00 73.43 ? 127 ALA o O 1 +ATOM 44322 C CB . ALA EA 13 125 ? -34.944 24.229 -41.499 1.00 59.24 ? 127 ALA o CB 1 +ATOM 44323 N N . SER EA 13 126 ? -36.529 24.867 -44.351 1.00 66.72 ? 128 SER o N 1 +ATOM 44324 C CA . SER EA 13 126 ? -37.690 25.356 -45.080 1.00 73.95 ? 128 SER o CA 1 +ATOM 44325 C C . SER EA 13 126 ? -38.806 24.322 -45.094 1.00 71.71 ? 128 SER o C 1 +ATOM 44326 O O . SER EA 13 126 ? -38.558 23.115 -45.075 1.00 64.25 ? 128 SER o O 1 +ATOM 44327 C CB . SER EA 13 126 ? -37.328 25.715 -46.514 1.00 64.84 ? 128 SER o CB 1 +ATOM 44328 O OG . SER EA 13 126 ? -36.388 26.767 -46.537 1.00 69.76 ? 128 SER o OG 1 +ATOM 44329 N N . THR EA 13 127 ? -40.045 24.809 -45.127 1.00 78.84 ? 129 THR o N 1 +ATOM 44330 C CA . THR EA 13 127 ? -41.201 23.936 -45.254 1.00 68.62 ? 129 THR o CA 1 +ATOM 44331 C C . THR EA 13 127 ? -41.496 23.684 -46.729 1.00 70.59 ? 129 THR o C 1 +ATOM 44332 O O . THR EA 13 127 ? -40.798 24.176 -47.622 1.00 69.43 ? 129 THR o O 1 +ATOM 44333 C CB . THR EA 13 127 ? -42.416 24.542 -44.550 1.00 79.17 ? 129 THR o CB 1 +ATOM 44334 O OG1 . THR EA 13 127 ? -42.909 25.651 -45.305 1.00 75.95 ? 129 THR o OG1 1 +ATOM 44335 C CG2 . THR EA 13 127 ? -42.037 25.036 -43.170 1.00 66.83 ? 129 THR o CG2 1 +ATOM 44336 N N . GLN EA 13 128 ? -42.533 22.890 -46.992 1.00 75.80 ? 130 GLN o N 1 +ATOM 44337 C CA . GLN EA 13 128 ? -43.080 22.777 -48.340 1.00 76.12 ? 130 GLN o CA 1 +ATOM 44338 C C . GLN EA 13 128 ? -43.755 24.100 -48.711 1.00 85.95 ? 130 GLN o C 1 +ATOM 44339 O O . GLN EA 13 128 ? -43.975 24.959 -47.854 1.00 71.51 ? 130 GLN o O 1 +ATOM 44340 C CB . GLN EA 13 128 ? -44.050 21.591 -48.427 1.00 75.51 ? 130 GLN o CB 1 +ATOM 44341 C CG . GLN EA 13 128 ? -45.196 21.587 -47.418 1.00 97.12 ? 130 GLN o CG 1 +ATOM 44342 C CD . GLN EA 13 128 ? -44.831 20.890 -46.097 1.00 111.75 ? 130 GLN o CD 1 +ATOM 44343 O OE1 . GLN EA 13 128 ? -43.877 21.279 -45.414 1.00 78.31 ? 130 GLN o OE1 1 +ATOM 44344 N NE2 . GLN EA 13 128 ? -45.596 19.853 -45.739 1.00 97.12 ? 130 GLN o NE2 1 +ATOM 44345 N N . PRO EA 13 129 ? -44.075 24.314 -49.985 1.00 70.82 ? 131 PRO o N 1 +ATOM 44346 C CA . PRO EA 13 129 ? -44.706 25.581 -50.363 1.00 82.94 ? 131 PRO o CA 1 +ATOM 44347 C C . PRO EA 13 129 ? -46.110 25.684 -49.796 1.00 69.27 ? 131 PRO o C 1 +ATOM 44348 O O . PRO EA 13 129 ? -46.741 24.689 -49.433 1.00 79.37 ? 131 PRO o O 1 +ATOM 44349 C CB . PRO EA 13 129 ? -44.738 25.537 -51.898 1.00 80.07 ? 131 PRO o CB 1 +ATOM 44350 C CG . PRO EA 13 129 ? -43.802 24.450 -52.289 1.00 74.70 ? 131 PRO o CG 1 +ATOM 44351 C CD . PRO EA 13 129 ? -43.818 23.465 -51.161 1.00 73.24 ? 131 PRO o CD 1 +ATOM 44352 N N . ASN EA 13 130 ? -46.586 26.925 -49.709 1.00 85.98 ? 132 ASN o N 1 +ATOM 44353 C CA . ASN EA 13 130 ? -47.996 27.213 -49.460 1.00 99.99 ? 132 ASN o CA 1 +ATOM 44354 C C . ASN EA 13 130 ? -48.453 26.647 -48.112 1.00 93.89 ? 132 ASN o C 1 +ATOM 44355 O O . ASN EA 13 130 ? -49.398 25.862 -48.014 1.00 94.54 ? 132 ASN o O 1 +ATOM 44356 C CB . ASN EA 13 130 ? -48.855 26.675 -50.611 1.00 108.38 ? 132 ASN o CB 1 +ATOM 44357 C CG . ASN EA 13 130 ? -50.164 27.415 -50.756 1.00 129.69 ? 132 ASN o CG 1 +ATOM 44358 O OD1 . ASN EA 13 130 ? -51.211 26.943 -50.304 1.00 128.50 ? 132 ASN o OD1 1 +ATOM 44359 N ND2 . ASN EA 13 130 ? -50.115 28.586 -51.393 1.00 122.36 ? 132 ASN o ND2 1 +ATOM 44360 N N . VAL EA 13 131 ? -47.751 27.065 -47.061 1.00 111.75 ? 133 VAL o N 1 +ATOM 44361 C CA . VAL EA 13 131 ? -48.111 26.700 -45.689 1.00 100.95 ? 133 VAL o CA 1 +ATOM 44362 C C . VAL EA 13 131 ? -49.026 27.809 -45.175 1.00 102.27 ? 133 VAL o C 1 +ATOM 44363 O O . VAL EA 13 131 ? -48.589 28.767 -44.531 1.00 109.39 ? 133 VAL o O 1 +ATOM 44364 C CB . VAL EA 13 131 ? -46.882 26.499 -44.807 1.00 92.94 ? 133 VAL o CB 1 +ATOM 44365 C CG1 . VAL EA 13 131 ? -47.294 26.085 -43.392 1.00 97.48 ? 133 VAL o CG1 1 +ATOM 44366 C CG2 . VAL EA 13 131 ? -45.972 25.460 -45.425 1.00 93.93 ? 133 VAL o CG2 1 +ATOM 44367 N N . THR EA 13 132 ? -50.320 27.686 -45.482 1.00 94.98 ? 134 THR o N 1 +ATOM 44368 C CA . THR EA 13 132 ? -51.292 28.616 -44.919 1.00 103.23 ? 134 THR o CA 1 +ATOM 44369 C C . THR EA 13 132 ? -51.337 28.501 -43.406 1.00 105.00 ? 134 THR o C 1 +ATOM 44370 O O . THR EA 13 132 ? -51.603 29.489 -42.711 1.00 95.49 ? 134 THR o O 1 +ATOM 44371 C CB . THR EA 13 132 ? -52.684 28.353 -45.497 1.00 99.25 ? 134 THR o CB 1 +ATOM 44372 O OG1 . THR EA 13 132 ? -53.272 27.227 -44.832 1.00 105.91 ? 134 THR o OG1 1 +ATOM 44373 C CG2 . THR EA 13 132 ? -52.599 28.047 -46.976 1.00 124.82 ? 134 THR o CG2 1 +ATOM 44374 N N . SER EA 13 133 ? -51.062 27.309 -42.884 1.00 105.37 ? 135 SER o N 1 +ATOM 44375 C CA . SER EA 13 133 ? -51.171 27.036 -41.462 1.00 94.91 ? 135 SER o CA 1 +ATOM 44376 C C . SER EA 13 133 ? -50.176 25.945 -41.101 1.00 89.25 ? 135 SER o C 1 +ATOM 44377 O O . SER EA 13 133 ? -50.076 24.945 -41.817 1.00 94.64 ? 135 SER o O 1 +ATOM 44378 C CB . SER EA 13 133 ? -52.597 26.604 -41.112 1.00 78.57 ? 135 SER o CB 1 +ATOM 44379 O OG . SER EA 13 133 ? -52.733 26.415 -39.723 1.00 126.08 ? 135 SER o OG 1 +ATOM 44380 N N . ILE EA 13 134 ? -49.437 26.141 -40.009 1.00 90.45 ? 136 ILE o N 1 +ATOM 44381 C CA . ILE EA 13 134 ? -48.578 25.086 -39.485 1.00 80.00 ? 136 ILE o CA 1 +ATOM 44382 C C . ILE EA 13 134 ? -49.462 24.010 -38.870 1.00 90.00 ? 136 ILE o C 1 +ATOM 44383 O O . ILE EA 13 134 ? -50.259 24.283 -37.965 1.00 97.73 ? 136 ILE o O 1 +ATOM 44384 C CB . ILE EA 13 134 ? -47.578 25.638 -38.462 1.00 76.58 ? 136 ILE o CB 1 +ATOM 44385 C CG1 . ILE EA 13 134 ? -46.668 26.683 -39.103 1.00 88.43 ? 136 ILE o CG1 1 +ATOM 44386 C CG2 . ILE EA 13 134 ? -46.724 24.516 -37.901 1.00 88.59 ? 136 ILE o CG2 1 +ATOM 44387 C CD1 . ILE EA 13 134 ? -45.800 27.427 -38.107 1.00 79.80 ? 136 ILE o CD1 1 +ATOM 44388 N N . THR EA 13 135 ? -49.320 22.780 -39.356 1.00 83.85 ? 137 THR o N 1 +ATOM 44389 C CA . THR EA 13 135 ? -50.146 21.649 -38.957 1.00 88.03 ? 137 THR o CA 1 +ATOM 44390 C C . THR EA 13 135 ? -49.253 20.442 -38.704 1.00 85.11 ? 137 THR o C 1 +ATOM 44391 O O . THR EA 13 135 ? -48.032 20.503 -38.862 1.00 83.80 ? 137 THR o O 1 +ATOM 44392 C CB . THR EA 13 135 ? -51.179 21.316 -40.036 1.00 90.12 ? 137 THR o CB 1 +ATOM 44393 O OG1 . THR EA 13 135 ? -50.496 21.047 -41.267 1.00 93.92 ? 137 THR o OG1 1 +ATOM 44394 C CG2 . THR EA 13 135 ? -52.128 22.479 -40.235 1.00 99.14 ? 137 THR o CG2 1 +ATOM 44395 N N . THR EA 13 136 ? -49.875 19.319 -38.338 1.00 74.74 ? 138 THR o N 1 +ATOM 44396 C CA . THR EA 13 136 ? -49.114 18.093 -38.128 1.00 82.61 ? 138 THR o CA 1 +ATOM 44397 C C . THR EA 13 136 ? -48.647 17.457 -39.437 1.00 80.46 ? 138 THR o C 1 +ATOM 44398 O O . THR EA 13 136 ? -48.005 16.402 -39.401 1.00 85.52 ? 138 THR o O 1 +ATOM 44399 C CB . THR EA 13 136 ? -49.933 17.084 -37.312 1.00 79.75 ? 138 THR o CB 1 +ATOM 44400 O OG1 . THR EA 13 136 ? -50.954 16.506 -38.131 1.00 97.01 ? 138 THR o OG1 1 +ATOM 44401 C CG2 . THR EA 13 136 ? -50.585 17.763 -36.118 1.00 76.55 ? 138 THR o CG2 1 +ATOM 44402 N N . SER EA 13 137 ? -48.961 18.061 -40.583 1.00 90.56 ? 139 SER o N 1 +ATOM 44403 C CA . SER EA 13 137 ? -48.391 17.669 -41.866 1.00 101.58 ? 139 SER o CA 1 +ATOM 44404 C C . SER EA 13 137 ? -47.207 18.537 -42.259 1.00 93.46 ? 139 SER o C 1 +ATOM 44405 O O . SER EA 13 137 ? -46.549 18.251 -43.267 1.00 85.30 ? 139 SER o O 1 +ATOM 44406 C CB . SER EA 13 137 ? -49.453 17.738 -42.976 1.00 85.98 ? 139 SER o CB 1 +ATOM 44407 O OG . SER EA 13 137 ? -50.463 16.761 -42.784 1.00 117.88 ? 139 SER o OG 1 +ATOM 44408 N N . THR EA 13 138 ? -46.931 19.590 -41.500 1.00 85.64 ? 140 THR o N 1 +ATOM 44409 C CA . THR EA 13 138 ? -45.834 20.481 -41.836 1.00 75.33 ? 140 THR o CA 1 +ATOM 44410 C C . THR EA 13 138 ? -44.502 19.812 -41.513 1.00 94.98 ? 140 THR o C 1 +ATOM 44411 O O . THR EA 13 138 ? -44.341 19.182 -40.464 1.00 85.35 ? 140 THR o O 1 +ATOM 44412 C CB . THR EA 13 138 ? -45.992 21.789 -41.076 1.00 79.90 ? 140 THR o CB 1 +ATOM 44413 O OG1 . THR EA 13 138 ? -47.349 22.232 -41.208 1.00 93.09 ? 140 THR o OG1 1 +ATOM 44414 C CG2 . THR EA 13 138 ? -45.057 22.866 -41.627 1.00 90.25 ? 140 THR o CG2 1 +ATOM 44415 N N . ASP EA 13 139 ? -43.559 19.908 -42.448 1.00 78.79 ? 141 ASP o N 1 +ATOM 44416 C CA . ASP EA 13 139 ? -42.229 19.344 -42.281 1.00 72.53 ? 141 ASP o CA 1 +ATOM 44417 C C . ASP EA 13 139 ? -41.195 20.402 -42.613 1.00 73.77 ? 141 ASP o C 1 +ATOM 44418 O O . ASP EA 13 139 ? -41.367 21.169 -43.561 1.00 85.90 ? 141 ASP o O 1 +ATOM 44419 C CB . ASP EA 13 139 ? -41.994 18.132 -43.180 1.00 70.91 ? 141 ASP o CB 1 +ATOM 44420 C CG . ASP EA 13 139 ? -42.839 16.939 -42.795 1.00 100.55 ? 141 ASP o CG 1 +ATOM 44421 O OD1 . ASP EA 13 139 ? -43.238 16.191 -43.713 1.00 116.75 ? 141 ASP o OD1 1 +ATOM 44422 O OD2 . ASP EA 13 139 ? -43.109 16.745 -41.585 1.00 95.08 ? 141 ASP o OD2 1 +ATOM 44423 N N . PHE EA 13 140 ? -40.122 20.438 -41.842 1.00 73.14 ? 142 PHE o N 1 +ATOM 44424 C CA . PHE EA 13 140 ? -38.957 21.237 -42.184 1.00 75.60 ? 142 PHE o CA 1 +ATOM 44425 C C . PHE EA 13 140 ? -37.857 20.320 -42.706 1.00 70.92 ? 142 PHE o C 1 +ATOM 44426 O O . PHE EA 13 140 ? -37.729 19.178 -42.262 1.00 80.12 ? 142 PHE o O 1 +ATOM 44427 C CB . PHE EA 13 140 ? -38.461 22.038 -40.981 1.00 58.40 ? 142 PHE o CB 1 +ATOM 44428 C CG . PHE EA 13 140 ? -39.397 23.127 -40.542 1.00 65.30 ? 142 PHE o CG 1 +ATOM 44429 C CD1 . PHE EA 13 140 ? -40.536 22.829 -39.810 1.00 65.39 ? 142 PHE o CD1 1 +ATOM 44430 C CD2 . PHE EA 13 140 ? -39.128 24.456 -40.845 1.00 72.33 ? 142 PHE o CD2 1 +ATOM 44431 C CE1 . PHE EA 13 140 ? -41.393 23.834 -39.398 1.00 66.54 ? 142 PHE o CE1 1 +ATOM 44432 C CE2 . PHE EA 13 140 ? -39.979 25.465 -40.432 1.00 69.74 ? 142 PHE o CE2 1 +ATOM 44433 C CZ . PHE EA 13 140 ? -41.113 25.151 -39.709 1.00 73.24 ? 142 PHE o CZ 1 +ATOM 44434 N N . LYS EA 13 141 ? -37.092 20.812 -43.672 1.00 67.72 ? 143 LYS o N 1 +ATOM 44435 C CA . LYS EA 13 141 ? -35.871 20.169 -44.127 1.00 68.35 ? 143 LYS o CA 1 +ATOM 44436 C C . LYS EA 13 141 ? -34.808 21.241 -44.241 1.00 61.16 ? 143 LYS o C 1 +ATOM 44437 O O . LYS EA 13 141 ? -35.086 22.351 -44.700 1.00 75.98 ? 143 LYS o O 1 +ATOM 44438 C CB . LYS EA 13 141 ? -36.042 19.464 -45.478 1.00 69.63 ? 143 LYS o CB 1 +ATOM 44439 C CG . LYS EA 13 141 ? -36.774 18.155 -45.398 1.00 87.72 ? 143 LYS o CG 1 +ATOM 44440 C CD . LYS EA 13 141 ? -36.903 17.519 -46.766 1.00 104.83 ? 143 LYS o CD 1 +ATOM 44441 C CE . LYS EA 13 141 ? -37.524 16.140 -46.635 1.00 122.17 ? 143 LYS o CE 1 +ATOM 44442 N NZ . LYS EA 13 141 ? -38.645 16.161 -45.649 1.00 110.77 ? 143 LYS o NZ 1 +ATOM 44443 N N . GLY EA 13 142 ? -33.595 20.928 -43.802 1.00 66.06 ? 144 GLY o N 1 +ATOM 44444 C CA . GLY EA 13 142 ? -32.589 21.967 -43.830 1.00 60.25 ? 144 GLY o CA 1 +ATOM 44445 C C . GLY EA 13 142 ? -31.181 21.429 -43.766 1.00 58.61 ? 144 GLY o C 1 +ATOM 44446 O O . GLY EA 13 142 ? -30.943 20.226 -43.651 1.00 61.47 ? 144 GLY o O 1 +ATOM 44447 N N . GLU EA 13 143 ? -30.246 22.362 -43.856 1.00 62.35 ? 145 GLU o N 1 +ATOM 44448 C CA . GLU EA 13 143 ? -28.827 22.083 -43.749 1.00 71.58 ? 145 GLU o CA 1 +ATOM 44449 C C . GLU EA 13 143 ? -28.218 22.969 -42.672 1.00 66.17 ? 145 GLU o C 1 +ATOM 44450 O O . GLU EA 13 143 ? -28.749 24.031 -42.338 1.00 61.50 ? 145 GLU o O 1 +ATOM 44451 C CB . GLU EA 13 143 ? -28.112 22.320 -45.079 1.00 55.50 ? 145 GLU o CB 1 +ATOM 44452 C CG . GLU EA 13 143 ? -28.334 21.242 -46.097 1.00 100.59 ? 145 GLU o CG 1 +ATOM 44453 C CD . GLU EA 13 143 ? -27.516 21.484 -47.341 1.00 98.83 ? 145 GLU o CD 1 +ATOM 44454 O OE1 . GLU EA 13 143 ? -27.167 22.659 -47.592 1.00 92.79 ? 145 GLU o OE1 1 +ATOM 44455 O OE2 . GLU EA 13 143 ? -27.206 20.500 -48.043 1.00 112.06 ? 145 GLU o OE2 1 +ATOM 44456 N N . PHE EA 13 144 ? -27.071 22.537 -42.157 1.00 56.57 ? 146 PHE o N 1 +ATOM 44457 C CA . PHE EA 13 144 ? -26.364 23.304 -41.142 1.00 55.15 ? 146 PHE o CA 1 +ATOM 44458 C C . PHE EA 13 144 ? -24.877 23.043 -41.291 1.00 51.60 ? 146 PHE o C 1 +ATOM 44459 O O . PHE EA 13 144 ? -24.454 22.157 -42.035 1.00 61.28 ? 146 PHE o O 1 +ATOM 44460 C CB . PHE EA 13 144 ? -26.857 22.938 -39.732 1.00 48.63 ? 146 PHE o CB 1 +ATOM 44461 C CG . PHE EA 13 144 ? -26.841 21.460 -39.461 1.00 54.99 ? 146 PHE o CG 1 +ATOM 44462 C CD1 . PHE EA 13 144 ? -25.707 20.847 -38.956 1.00 48.77 ? 146 PHE o CD1 1 +ATOM 44463 C CD2 . PHE EA 13 144 ? -27.952 20.677 -39.742 1.00 53.33 ? 146 PHE o CD2 1 +ATOM 44464 C CE1 . PHE EA 13 144 ? -25.695 19.475 -38.728 1.00 54.17 ? 146 PHE o CE1 1 +ATOM 44465 C CE2 . PHE EA 13 144 ? -27.939 19.327 -39.526 1.00 54.28 ? 146 PHE o CE2 1 +ATOM 44466 C CZ . PHE EA 13 144 ? -26.813 18.720 -39.020 1.00 52.39 ? 146 PHE o CZ 1 +ATOM 44467 N N . ASN EA 13 145 ? -24.085 23.810 -40.559 1.00 59.73 ? 147 ASN o N 1 +ATOM 44468 C CA . ASN EA 13 145 ? -22.634 23.681 -40.593 1.00 70.41 ? 147 ASN o CA 1 +ATOM 44469 C C . ASN EA 13 145 ? -22.145 22.814 -39.443 1.00 69.57 ? 147 ASN o C 1 +ATOM 44470 O O . ASN EA 13 145 ? -22.678 22.867 -38.328 1.00 56.35 ? 147 ASN o O 1 +ATOM 44471 C CB . ASN EA 13 145 ? -21.949 25.046 -40.492 1.00 70.01 ? 147 ASN o CB 1 +ATOM 44472 C CG . ASN EA 13 145 ? -22.231 25.924 -41.686 1.00 62.86 ? 147 ASN o CG 1 +ATOM 44473 O OD1 . ASN EA 13 145 ? -22.427 25.442 -42.786 1.00 70.57 ? 147 ASN o OD1 1 +ATOM 44474 N ND2 . ASN EA 13 145 ? -22.263 27.213 -41.466 1.00 78.36 ? 147 ASN o ND2 1 +ATOM 44475 N N . VAL EA 13 146 ? -21.104 22.032 -39.718 1.00 63.81 ? 148 VAL o N 1 +ATOM 44476 C CA . VAL EA 13 146 ? -20.444 21.246 -38.673 1.00 62.79 ? 148 VAL o CA 1 +ATOM 44477 C C . VAL EA 13 146 ? -18.967 21.627 -38.617 1.00 48.31 ? 148 VAL o C 1 +ATOM 44478 O O . VAL EA 13 146 ? -18.142 21.096 -39.382 1.00 54.89 ? 148 VAL o O 1 +ATOM 44479 C CB . VAL EA 13 146 ? -20.633 19.744 -38.907 1.00 52.00 ? 148 VAL o CB 1 +ATOM 44480 C CG1 . VAL EA 13 146 ? -20.001 18.943 -37.764 1.00 58.20 ? 148 VAL o CG1 1 +ATOM 44481 C CG2 . VAL EA 13 146 ? -22.109 19.417 -39.049 1.00 58.66 ? 148 VAL o CG2 1 +ATOM 44482 N N . PRO EA 13 147 ? -18.580 22.541 -37.742 1.00 53.59 ? 149 PRO o N 1 +ATOM 44483 C CA . PRO EA 13 147 ? -17.153 22.870 -37.610 1.00 53.51 ? 149 PRO o CA 1 +ATOM 44484 C C . PRO EA 13 147 ? -16.380 21.733 -36.939 1.00 59.94 ? 149 PRO o C 1 +ATOM 44485 O O . PRO EA 13 147 ? -16.936 20.766 -36.405 1.00 54.21 ? 149 PRO o O 1 +ATOM 44486 C CB . PRO EA 13 147 ? -17.164 24.142 -36.764 1.00 49.85 ? 149 PRO o CB 1 +ATOM 44487 C CG . PRO EA 13 147 ? -18.404 24.029 -35.949 1.00 58.29 ? 149 PRO o CG 1 +ATOM 44488 C CD . PRO EA 13 147 ? -19.408 23.203 -36.723 1.00 47.92 ? 149 PRO o CD 1 +ATOM 44489 N N . SER EA 13 148 ? -15.057 21.843 -37.030 1.00 53.75 ? 150 SER o N 1 +ATOM 44490 C CA . SER EA 13 148 ? -14.157 20.939 -36.329 1.00 52.56 ? 150 SER o CA 1 +ATOM 44491 C C . SER EA 13 148 ? -14.538 20.799 -34.843 1.00 51.53 ? 150 SER o C 1 +ATOM 44492 O O . SER EA 13 148 ? -14.827 21.785 -34.156 1.00 49.88 ? 150 SER o O 1 +ATOM 44493 C CB . SER EA 13 148 ? -12.726 21.456 -36.490 1.00 49.21 ? 150 SER o CB 1 +ATOM 44494 O OG . SER EA 13 148 ? -11.810 20.817 -35.614 1.00 56.08 ? 150 SER o OG 1 +ATOM 44495 N N . TYR EA 13 149 ? -14.541 19.552 -34.372 1.00 54.32 ? 151 TYR o N 1 +ATOM 44496 C CA . TYR EA 13 149 ? -14.895 19.209 -32.993 1.00 49.67 ? 151 TYR o CA 1 +ATOM 44497 C C . TYR EA 13 149 ? -14.015 19.936 -31.989 1.00 49.18 ? 151 TYR o C 1 +ATOM 44498 O O . TYR EA 13 149 ? -14.507 20.455 -30.980 1.00 49.85 ? 151 TYR o O 1 +ATOM 44499 C CB . TYR EA 13 149 ? -14.769 17.690 -32.834 1.00 50.59 ? 151 TYR o CB 1 +ATOM 44500 C CG . TYR EA 13 149 ? -14.975 17.091 -31.475 1.00 48.61 ? 151 TYR o CG 1 +ATOM 44501 C CD1 . TYR EA 13 149 ? -16.256 16.804 -31.009 1.00 51.44 ? 151 TYR o CD1 1 +ATOM 44502 C CD2 . TYR EA 13 149 ? -13.883 16.751 -30.672 1.00 51.92 ? 151 TYR o CD2 1 +ATOM 44503 C CE1 . TYR EA 13 149 ? -16.456 16.219 -29.762 1.00 51.25 ? 151 TYR o CE1 1 +ATOM 44504 C CE2 . TYR EA 13 149 ? -14.062 16.143 -29.431 1.00 55.83 ? 151 TYR o CE2 1 +ATOM 44505 C CZ . TYR EA 13 149 ? -15.355 15.881 -28.983 1.00 55.99 ? 151 TYR o CZ 1 +ATOM 44506 O OH . TYR EA 13 149 ? -15.546 15.287 -27.761 1.00 52.00 ? 151 TYR o OH 1 +ATOM 44507 N N A ARG EA 13 150 ? -12.705 19.938 -32.213 0.40 48.55 ? 152 ARG o N 1 +ATOM 44508 N N B ARG EA 13 150 ? -12.711 19.986 -32.247 0.60 48.48 ? 152 ARG o N 1 +ATOM 44509 C CA A ARG EA 13 150 ? -11.822 20.843 -31.488 0.40 49.66 ? 152 ARG o CA 1 +ATOM 44510 C CA B ARG EA 13 150 ? -11.816 20.865 -31.511 0.60 49.66 ? 152 ARG o CA 1 +ATOM 44511 C C A ARG EA 13 150 ? -11.607 22.084 -32.340 0.40 52.43 ? 152 ARG o C 1 +ATOM 44512 C C B ARG EA 13 150 ? -11.583 22.109 -32.349 0.60 52.46 ? 152 ARG o C 1 +ATOM 44513 O O A ARG EA 13 150 ? -11.589 22.001 -33.569 0.40 55.62 ? 152 ARG o O 1 +ATOM 44514 O O B ARG EA 13 150 ? -11.552 22.044 -33.577 0.60 55.79 ? 152 ARG o O 1 +ATOM 44515 C CB A ARG EA 13 150 ? -10.460 20.202 -31.202 0.40 51.46 ? 152 ARG o CB 1 +ATOM 44516 C CB B ARG EA 13 150 ? -10.461 20.213 -31.212 0.60 51.48 ? 152 ARG o CB 1 +ATOM 44517 C CG A ARG EA 13 150 ? -10.499 18.754 -30.694 0.40 51.87 ? 152 ARG o CG 1 +ATOM 44518 C CG B ARG EA 13 150 ? -10.499 18.775 -30.706 0.60 51.94 ? 152 ARG o CG 1 +ATOM 44519 C CD A ARG EA 13 150 ? -11.038 18.610 -29.277 0.40 50.27 ? 152 ARG o CD 1 +ATOM 44520 C CD B ARG EA 13 150 ? -11.030 18.626 -29.289 0.60 50.27 ? 152 ARG o CD 1 +ATOM 44521 N NE A ARG EA 13 150 ? -10.738 17.263 -28.786 0.40 54.30 ? 152 ARG o NE 1 +ATOM 44522 N NE B ARG EA 13 150 ? -10.702 17.293 -28.792 0.60 54.52 ? 152 ARG o NE 1 +ATOM 44523 C CZ A ARG EA 13 150 ? -10.986 16.806 -27.566 0.40 48.58 ? 152 ARG o CZ 1 +ATOM 44524 C CZ B ARG EA 13 150 ? -11.008 16.825 -27.589 0.60 48.59 ? 152 ARG o CZ 1 +ATOM 44525 N NH1 A ARG EA 13 150 ? -11.680 17.512 -26.691 0.40 43.80 ? 152 ARG o NH1 1 +ATOM 44526 N NH1 B ARG EA 13 150 ? -11.720 17.538 -26.728 0.60 43.71 ? 152 ARG o NH1 1 +ATOM 44527 N NH2 A ARG EA 13 150 ? -10.517 15.607 -27.214 0.40 44.51 ? 152 ARG o NH2 1 +ATOM 44528 N NH2 B ARG EA 13 150 ? -10.584 15.611 -27.240 0.60 44.50 ? 152 ARG o NH2 1 +ATOM 44529 N N . THR EA 13 151 ? -11.403 23.240 -31.684 1.00 51.61 ? 153 THR o N 1 +ATOM 44530 C CA . THR EA 13 151 ? -11.086 24.471 -32.394 1.00 51.71 ? 153 THR o CA 1 +ATOM 44531 C C . THR EA 13 151 ? -9.577 24.704 -32.359 1.00 53.80 ? 153 THR o C 1 +ATOM 44532 O O . THR EA 13 151 ? -8.811 23.881 -31.857 1.00 54.92 ? 153 THR o O 1 +ATOM 44533 C CB . THR EA 13 151 ? -11.882 25.654 -31.845 1.00 47.69 ? 153 THR o CB 1 +ATOM 44534 O OG1 . THR EA 13 151 ? -11.323 26.108 -30.601 1.00 51.38 ? 153 THR o OG1 1 +ATOM 44535 C CG2 . THR EA 13 151 ? -13.333 25.238 -31.651 1.00 48.20 ? 153 THR o CG2 1 +ATOM 44536 N N . ALA EA 13 152 ? -9.147 25.834 -32.919 1.00 49.83 ? 154 ALA o N 1 +ATOM 44537 C CA . ALA EA 13 152 ? -7.779 25.947 -33.433 1.00 54.07 ? 154 ALA o CA 1 +ATOM 44538 C C . ALA EA 13 152 ? -6.722 25.932 -32.334 1.00 53.99 ? 154 ALA o C 1 +ATOM 44539 O O . ALA EA 13 152 ? -5.563 25.610 -32.612 1.00 52.12 ? 154 ALA o O 1 +ATOM 44540 C CB . ALA EA 13 152 ? -7.630 27.231 -34.272 1.00 46.60 ? 154 ALA o CB 1 +ATOM 44541 N N A ASN EA 13 153 ? -7.098 26.261 -31.104 0.40 49.64 ? 155 ASN o N 1 +ATOM 44542 N N B ASN EA 13 153 ? -7.086 26.294 -31.101 0.60 49.64 ? 155 ASN o N 1 +ATOM 44543 C CA A ASN EA 13 153 ? -6.124 26.328 -30.018 0.40 51.84 ? 155 ASN o CA 1 +ATOM 44544 C CA B ASN EA 13 153 ? -6.147 26.382 -29.985 0.60 51.79 ? 155 ASN o CA 1 +ATOM 44545 C C A ASN EA 13 153 ? -5.805 24.971 -29.407 0.40 54.86 ? 155 ASN o C 1 +ATOM 44546 C C B ASN EA 13 153 ? -5.824 25.032 -29.354 0.60 55.01 ? 155 ASN o C 1 +ATOM 44547 O O A ASN EA 13 153 ? -4.837 24.872 -28.650 0.40 51.30 ? 155 ASN o O 1 +ATOM 44548 O O B ASN EA 13 153 ? -4.845 24.940 -28.606 0.60 51.32 ? 155 ASN o O 1 +ATOM 44549 C CB A ASN EA 13 153 ? -6.623 27.250 -28.905 0.40 53.36 ? 155 ASN o CB 1 +ATOM 44550 C CB B ASN EA 13 153 ? -6.702 27.316 -28.905 0.60 53.30 ? 155 ASN o CB 1 +ATOM 44551 C CG A ASN EA 13 153 ? -6.309 28.705 -29.173 0.40 57.52 ? 155 ASN o CG 1 +ATOM 44552 C CG B ASN EA 13 153 ? -6.335 28.769 -29.145 0.60 57.67 ? 155 ASN o CG 1 +ATOM 44553 O OD1 A ASN EA 13 153 ? -5.749 29.059 -30.216 0.40 55.67 ? 155 ASN o OD1 1 +ATOM 44554 O OD1 B ASN EA 13 153 ? -5.761 29.119 -30.176 0.60 55.65 ? 155 ASN o OD1 1 +ATOM 44555 N ND2 A ASN EA 13 153 ? -6.671 29.561 -28.234 0.40 53.52 ? 155 ASN o ND2 1 +ATOM 44556 N ND2 B ASN EA 13 153 ? -6.672 29.630 -28.184 0.60 53.43 ? 155 ASN o ND2 1 +ATOM 44557 N N A PHE EA 13 154 ? -6.583 23.939 -29.716 0.40 49.98 ? 156 PHE o N 1 +ATOM 44558 N N B PHE EA 13 154 ? -6.606 23.992 -29.650 0.60 50.02 ? 156 PHE o N 1 +ATOM 44559 C CA A PHE EA 13 154 ? -6.473 22.666 -29.011 0.40 49.99 ? 156 PHE o CA 1 +ATOM 44560 C CA B PHE EA 13 154 ? -6.484 22.704 -28.970 0.60 49.95 ? 156 PHE o CA 1 +ATOM 44561 C C A PHE EA 13 154 ? -5.115 22.016 -29.266 0.40 54.24 ? 156 PHE o C 1 +ATOM 44562 C C B PHE EA 13 154 ? -5.108 22.077 -29.192 0.60 54.42 ? 156 PHE o C 1 +ATOM 44563 O O A PHE EA 13 154 ? -4.687 21.874 -30.414 0.40 52.50 ? 156 PHE o O 1 +ATOM 44564 O O B PHE EA 13 154 ? -4.656 21.919 -30.331 0.60 52.63 ? 156 PHE o O 1 +ATOM 44565 C CB A PHE EA 13 154 ? -7.603 21.745 -29.456 0.40 46.21 ? 156 PHE o CB 1 +ATOM 44566 C CB B PHE EA 13 154 ? -7.581 21.765 -29.467 0.60 46.07 ? 156 PHE o CB 1 +ATOM 44567 C CG A PHE EA 13 154 ? -7.631 20.429 -28.729 0.40 59.48 ? 156 PHE o CG 1 +ATOM 44568 C CG B PHE EA 13 154 ? -7.612 20.441 -28.759 0.60 59.79 ? 156 PHE o CG 1 +ATOM 44569 C CD1 A PHE EA 13 154 ? -8.292 20.311 -27.505 0.40 50.69 ? 156 PHE o CD1 1 +ATOM 44570 C CD1 B PHE EA 13 154 ? -8.302 20.297 -27.560 0.60 50.71 ? 156 PHE o CD1 1 +ATOM 44571 C CD2 A PHE EA 13 154 ? -6.998 19.315 -29.263 0.40 50.78 ? 156 PHE o CD2 1 +ATOM 44572 C CD2 B PHE EA 13 154 ? -6.964 19.330 -29.297 0.60 50.69 ? 156 PHE o CD2 1 +ATOM 44573 C CE1 A PHE EA 13 154 ? -8.325 19.103 -26.836 0.40 50.13 ? 156 PHE o CE1 1 +ATOM 44574 C CE1 B PHE EA 13 154 ? -8.337 19.082 -26.907 0.60 50.12 ? 156 PHE o CE1 1 +ATOM 44575 C CE2 A PHE EA 13 154 ? -7.021 18.093 -28.585 0.40 49.83 ? 156 PHE o CE2 1 +ATOM 44576 C CE2 B PHE EA 13 154 ? -6.994 18.112 -28.637 0.60 49.85 ? 156 PHE o CE2 1 +ATOM 44577 C CZ A PHE EA 13 154 ? -7.690 17.991 -27.378 0.40 46.69 ? 156 PHE o CZ 1 +ATOM 44578 C CZ B PHE EA 13 154 ? -7.684 17.994 -27.444 0.60 46.58 ? 156 PHE o CZ 1 +ATOM 44579 N N A LEU EA 13 155 ? -4.441 21.626 -28.191 0.40 46.86 ? 157 LEU o N 1 +ATOM 44580 N N B LEU EA 13 155 ? -4.450 21.706 -28.098 0.60 46.62 ? 157 LEU o N 1 +ATOM 44581 C CA A LEU EA 13 155 ? -3.126 20.996 -28.243 0.40 51.88 ? 157 LEU o CA 1 +ATOM 44582 C CA B LEU EA 13 155 ? -3.132 21.078 -28.134 0.60 51.98 ? 157 LEU o CA 1 +ATOM 44583 C C A LEU EA 13 155 ? -3.239 19.484 -28.022 0.40 52.25 ? 157 LEU o C 1 +ATOM 44584 C C B LEU EA 13 155 ? -3.250 19.568 -27.932 0.60 52.49 ? 157 LEU o C 1 +ATOM 44585 O O A LEU EA 13 155 ? -3.868 19.035 -27.055 0.40 49.87 ? 157 LEU o O 1 +ATOM 44586 O O B LEU EA 13 155 ? -3.897 19.115 -26.980 0.60 50.02 ? 157 LEU o O 1 +ATOM 44587 C CB A LEU EA 13 155 ? -2.213 21.595 -27.174 0.40 48.11 ? 157 LEU o CB 1 +ATOM 44588 C CB B LEU EA 13 155 ? -2.228 21.677 -27.057 0.60 48.05 ? 157 LEU o CB 1 +ATOM 44589 C CG A LEU EA 13 155 ? -1.908 23.101 -27.252 0.40 57.39 ? 157 LEU o CG 1 +ATOM 44590 C CG B LEU EA 13 155 ? -1.882 23.160 -27.165 0.60 57.75 ? 157 LEU o CG 1 +ATOM 44591 C CD1 A LEU EA 13 155 ? -1.047 23.586 -26.071 0.40 47.36 ? 157 LEU o CD1 1 +ATOM 44592 C CD1 B LEU EA 13 155 ? -0.964 23.593 -26.023 0.60 47.23 ? 157 LEU o CD1 1 +ATOM 44593 C CD2 A LEU EA 13 155 ? -1.226 23.409 -28.548 0.40 50.77 ? 157 LEU o CD2 1 +ATOM 44594 C CD2 B LEU EA 13 155 ? -1.238 23.442 -28.499 0.60 50.75 ? 157 LEU o CD2 1 +ATOM 44595 N N A ASP EA 13 156 ? -2.598 18.705 -28.885 0.40 48.37 ? 158 ASP o N 1 +ATOM 44596 N N B ASP EA 13 156 ? -2.614 18.791 -28.816 0.60 48.46 ? 158 ASP o N 1 +ATOM 44597 C CA A ASP EA 13 156 ? -2.611 17.250 -28.747 0.40 49.59 ? 158 ASP o CA 1 +ATOM 44598 C CA B ASP EA 13 156 ? -2.620 17.335 -28.708 0.60 49.65 ? 158 ASP o CA 1 +ATOM 44599 C C A ASP EA 13 156 ? -1.643 16.851 -27.620 0.40 49.43 ? 158 ASP o C 1 +ATOM 44600 C C B ASP EA 13 156 ? -1.645 16.898 -27.604 0.60 49.57 ? 158 ASP o C 1 +ATOM 44601 O O A ASP EA 13 156 ? -0.970 17.703 -27.014 0.40 45.14 ? 158 ASP o O 1 +ATOM 44602 O O B ASP EA 13 156 ? -0.948 17.734 -27.014 0.60 44.98 ? 158 ASP o O 1 +ATOM 44603 C CB A ASP EA 13 156 ? -2.371 16.614 -30.124 0.40 45.04 ? 158 ASP o CB 1 +ATOM 44604 C CB B ASP EA 13 156 ? -2.360 16.717 -30.096 0.60 45.00 ? 158 ASP o CB 1 +ATOM 44605 C CG A ASP EA 13 156 ? -0.891 16.466 -30.514 0.40 47.87 ? 158 ASP o CG 1 +ATOM 44606 C CG B ASP EA 13 156 ? -0.871 16.571 -30.475 0.60 47.94 ? 158 ASP o CG 1 +ATOM 44607 O OD1 A ASP EA 13 156 ? 0.021 16.803 -29.733 0.40 48.01 ? 158 ASP o OD1 1 +ATOM 44608 O OD1 B ASP EA 13 156 ? 0.051 16.922 -29.717 0.60 48.16 ? 158 ASP o OD1 1 +ATOM 44609 O OD2 A ASP EA 13 156 ? -0.649 16.000 -31.657 0.40 47.77 ? 158 ASP o OD2 1 +ATOM 44610 O OD2 B ASP EA 13 156 ? -0.625 16.082 -31.600 0.60 47.96 ? 158 ASP o OD2 1 +ATOM 44611 N N A PRO EA 13 157 ? -1.576 15.558 -27.275 0.40 48.08 ? 159 PRO o N 1 +ATOM 44612 N N B PRO EA 13 157 ? -1.604 15.598 -27.270 0.60 48.13 ? 159 PRO o N 1 +ATOM 44613 C CA A PRO EA 13 157 ? -0.820 15.157 -26.069 0.40 47.70 ? 159 PRO o CA 1 +ATOM 44614 C CA B PRO EA 13 157 ? -0.837 15.170 -26.082 0.60 47.74 ? 159 PRO o CA 1 +ATOM 44615 C C A PRO EA 13 157 ? 0.667 15.405 -26.162 0.40 48.48 ? 159 PRO o C 1 +ATOM 44616 C C B PRO EA 13 157 ? 0.650 15.443 -26.163 0.60 48.61 ? 159 PRO o C 1 +ATOM 44617 O O A PRO EA 13 157 ? 1.346 15.409 -25.128 0.40 43.94 ? 159 PRO o O 1 +ATOM 44618 O O B PRO EA 13 157 ? 1.313 15.469 -25.114 0.60 44.05 ? 159 PRO o O 1 +ATOM 44619 C CB A PRO EA 13 157 ? -1.124 13.654 -25.950 0.40 43.64 ? 159 PRO o CB 1 +ATOM 44620 C CB B PRO EA 13 157 ? -1.116 13.662 -26.011 0.60 43.53 ? 159 PRO o CB 1 +ATOM 44621 C CG A PRO EA 13 157 ? -2.471 13.505 -26.565 0.40 44.88 ? 159 PRO o CG 1 +ATOM 44622 C CG B PRO EA 13 157 ? -2.455 13.507 -26.633 0.60 44.82 ? 159 PRO o CG 1 +ATOM 44623 C CD A PRO EA 13 157 ? -2.421 14.451 -27.758 0.40 47.11 ? 159 PRO o CD 1 +ATOM 44624 C CD B PRO EA 13 157 ? -2.467 14.505 -27.762 0.60 47.09 ? 159 PRO o CD 1 +ATOM 44625 N N . LYS EA 13 158 ? 1.199 15.613 -27.360 1.00 45.67 ? 160 LYS o N 1 +ATOM 44626 C CA . LYS EA 13 158 ? 2.596 15.963 -27.535 1.00 47.37 ? 160 LYS o CA 1 +ATOM 44627 C C . LYS EA 13 158 ? 2.767 17.455 -27.754 1.00 50.44 ? 160 LYS o C 1 +ATOM 44628 O O . LYS EA 13 158 ? 3.854 17.894 -28.138 1.00 46.80 ? 160 LYS o O 1 +ATOM 44629 C CB . LYS EA 13 158 ? 3.205 15.179 -28.695 1.00 42.31 ? 160 LYS o CB 1 +ATOM 44630 C CG . LYS EA 13 158 ? 3.330 13.651 -28.425 1.00 49.84 ? 160 LYS o CG 1 +ATOM 44631 C CD . LYS EA 13 158 ? 4.123 13.359 -27.113 1.00 45.80 ? 160 LYS o CD 1 +ATOM 44632 C CE . LYS EA 13 158 ? 5.532 13.996 -27.130 1.00 43.43 ? 160 LYS o CE 1 +ATOM 44633 N NZ . LYS EA 13 158 ? 6.327 13.646 -25.905 1.00 45.47 ? 160 LYS o NZ 1 +ATOM 44634 N N A GLY EA 13 159 ? 1.716 18.238 -27.516 0.40 40.57 ? 161 GLY o N 1 +ATOM 44635 N N B GLY EA 13 159 ? 1.721 18.242 -27.502 0.60 40.35 ? 161 GLY o N 1 +ATOM 44636 C CA A GLY EA 13 159 ? 1.813 19.683 -27.596 0.40 44.99 ? 161 GLY o CA 1 +ATOM 44637 C CA B GLY EA 13 159 ? 1.817 19.682 -27.582 0.60 44.94 ? 161 GLY o CA 1 +ATOM 44638 C C A GLY EA 13 159 ? 1.669 20.277 -28.983 0.40 51.02 ? 161 GLY o C 1 +ATOM 44639 C C B GLY EA 13 159 ? 1.707 20.265 -28.974 0.60 51.15 ? 161 GLY o C 1 +ATOM 44640 O O A GLY EA 13 159 ? 1.981 21.454 -29.166 0.40 49.84 ? 161 GLY o O 1 +ATOM 44641 O O B GLY EA 13 159 ? 2.148 21.395 -29.177 0.60 49.84 ? 161 GLY o O 1 +ATOM 44642 N N . ARG EA 13 160 ? 1.143 19.533 -29.938 1.00 47.22 ? 162 ARG o N 1 +ATOM 44643 C CA . ARG EA 13 160 ? 1.015 20.011 -31.298 1.00 47.84 ? 162 ARG o CA 1 +ATOM 44644 C C . ARG EA 13 160 ? -0.395 20.552 -31.519 1.00 58.44 ? 162 ARG o C 1 +ATOM 44645 O O . ARG EA 13 160 ? -1.377 19.958 -31.058 1.00 51.32 ? 162 ARG o O 1 +ATOM 44646 C CB . ARG EA 13 160 ? 1.317 18.889 -32.296 1.00 46.85 ? 162 ARG o CB 1 +ATOM 44647 C CG . ARG EA 13 160 ? 2.725 18.309 -32.194 1.00 42.91 ? 162 ARG o CG 1 +ATOM 44648 C CD . ARG EA 13 160 ? 2.860 17.061 -33.077 1.00 49.09 ? 162 ARG o CD 1 +ATOM 44649 N NE . ARG EA 13 160 ? 1.987 15.983 -32.614 1.00 48.11 ? 162 ARG o NE 1 +ATOM 44650 C CZ . ARG EA 13 160 ? 2.082 14.713 -32.989 1.00 55.49 ? 162 ARG o CZ 1 +ATOM 44651 N NH1 . ARG EA 13 160 ? 3.024 14.301 -33.828 1.00 52.06 ? 162 ARG o NH1 1 +ATOM 44652 N NH2 . ARG EA 13 160 ? 1.202 13.834 -32.524 1.00 50.01 ? 162 ARG o NH2 1 +ATOM 44653 N N . GLY EA 13 161 ? -0.490 21.674 -32.231 1.00 49.74 ? 163 GLY o N 1 +ATOM 44654 C CA . GLY EA 13 161 ? -1.790 22.241 -32.525 1.00 50.03 ? 163 GLY o CA 1 +ATOM 44655 C C . GLY EA 13 161 ? -1.779 23.094 -33.777 1.00 50.12 ? 163 GLY o C 1 +ATOM 44656 O O . GLY EA 13 161 ? -0.781 23.179 -34.495 1.00 49.82 ? 163 GLY o O 1 +ATOM 44657 N N . LEU EA 13 162 ? -2.924 23.727 -34.033 1.00 54.42 ? 164 LEU o N 1 +ATOM 44658 C CA . LEU EA 13 162 ? -3.107 24.519 -35.244 1.00 55.02 ? 164 LEU o CA 1 +ATOM 44659 C C . LEU EA 13 162 ? -2.703 25.974 -35.000 1.00 57.65 ? 164 LEU o C 1 +ATOM 44660 O O . LEU EA 13 162 ? -1.644 26.402 -35.465 1.00 51.50 ? 164 LEU o O 1 +ATOM 44661 C CB . LEU EA 13 162 ? -4.562 24.396 -35.734 1.00 52.51 ? 164 LEU o CB 1 +ATOM 44662 C CG . LEU EA 13 162 ? -5.043 25.133 -37.001 1.00 60.59 ? 164 LEU o CG 1 +ATOM 44663 C CD1 . LEU EA 13 162 ? -4.017 25.114 -38.125 1.00 55.25 ? 164 LEU o CD1 1 +ATOM 44664 C CD2 . LEU EA 13 162 ? -6.365 24.540 -37.483 1.00 46.48 ? 164 LEU o CD2 1 +ATOM 44665 N N . ALA EA 13 163 ? -3.513 26.734 -34.261 1.00 47.94 ? 165 ALA o N 1 +ATOM 44666 C CA . ALA EA 13 163 ? -3.169 28.117 -33.939 1.00 52.24 ? 165 ALA o CA 1 +ATOM 44667 C C . ALA EA 13 163 ? -2.135 28.242 -32.815 1.00 57.91 ? 165 ALA o C 1 +ATOM 44668 O O . ALA EA 13 163 ? -1.631 29.345 -32.581 1.00 57.57 ? 165 ALA o O 1 +ATOM 44669 C CB . ALA EA 13 163 ? -4.427 28.897 -33.556 1.00 51.64 ? 165 ALA o CB 1 +ATOM 44670 N N . SER EA 13 164 ? -1.810 27.155 -32.117 1.00 52.67 ? 166 SER o N 1 +ATOM 44671 C CA . SER EA 13 164 ? -0.780 27.163 -31.089 1.00 52.44 ? 166 SER o CA 1 +ATOM 44672 C C . SER EA 13 164 ? -0.112 25.795 -31.089 1.00 52.85 ? 166 SER o C 1 +ATOM 44673 O O . SER EA 13 164 ? -0.631 24.851 -31.669 1.00 54.15 ? 166 SER o O 1 +ATOM 44674 C CB . SER EA 13 164 ? -1.363 27.498 -29.717 1.00 47.13 ? 166 SER o CB 1 +ATOM 44675 O OG . SER EA 13 164 ? -0.321 27.664 -28.777 1.00 62.22 ? 166 SER o OG 1 +ATOM 44676 N N . GLY EA 13 165 ? 1.048 25.685 -30.458 1.00 51.07 ? 167 GLY o N 1 +ATOM 44677 C CA . GLY EA 13 165 ? 1.672 24.392 -30.257 1.00 49.97 ? 167 GLY o CA 1 +ATOM 44678 C C . GLY EA 13 165 ? 2.916 24.184 -31.111 1.00 44.93 ? 167 GLY o C 1 +ATOM 44679 O O . GLY EA 13 165 ? 3.281 24.994 -31.962 1.00 56.03 ? 167 GLY o O 1 +ATOM 44680 N N . TYR EA 13 166 ? 3.572 23.057 -30.848 1.00 48.84 ? 168 TYR o N 1 +ATOM 44681 C CA . TYR EA 13 166 ? 4.695 22.612 -31.661 1.00 55.93 ? 168 TYR o CA 1 +ATOM 44682 C C . TYR EA 13 166 ? 4.243 22.244 -33.068 1.00 57.77 ? 168 TYR o C 1 +ATOM 44683 O O . TYR EA 13 166 ? 3.099 21.831 -33.294 1.00 53.15 ? 168 TYR o O 1 +ATOM 44684 C CB . TYR EA 13 166 ? 5.369 21.392 -31.040 1.00 49.33 ? 168 TYR o CB 1 +ATOM 44685 C CG . TYR EA 13 166 ? 5.841 21.586 -29.629 1.00 56.09 ? 168 TYR o CG 1 +ATOM 44686 C CD1 . TYR EA 13 166 ? 6.745 22.594 -29.305 1.00 50.00 ? 168 TYR o CD1 1 +ATOM 44687 C CD2 . TYR EA 13 166 ? 5.405 20.739 -28.618 1.00 48.24 ? 168 TYR o CD2 1 +ATOM 44688 C CE1 . TYR EA 13 166 ? 7.182 22.761 -28.008 1.00 48.32 ? 168 TYR o CE1 1 +ATOM 44689 C CE2 . TYR EA 13 166 ? 5.830 20.891 -27.335 1.00 43.35 ? 168 TYR o CE2 1 +ATOM 44690 C CZ . TYR EA 13 166 ? 6.721 21.894 -27.020 1.00 56.75 ? 168 TYR o CZ 1 +ATOM 44691 O OH . TYR EA 13 166 ? 7.133 22.023 -25.708 1.00 49.24 ? 168 TYR o OH 1 +ATOM 44692 N N . ASP EA 13 167 ? 5.165 22.366 -34.018 1.00 50.51 ? 169 ASP o N 1 +ATOM 44693 C CA . ASP EA 13 167 ? 4.869 22.018 -35.403 1.00 56.04 ? 169 ASP o CA 1 +ATOM 44694 C C . ASP EA 13 167 ? 5.545 20.723 -35.825 1.00 58.15 ? 169 ASP o C 1 +ATOM 44695 O O . ASP EA 13 167 ? 5.588 20.413 -37.015 1.00 61.44 ? 169 ASP o O 1 +ATOM 44696 C CB . ASP EA 13 167 ? 5.264 23.162 -36.355 1.00 50.32 ? 169 ASP o CB 1 +ATOM 44697 C CG . ASP EA 13 167 ? 6.780 23.398 -36.429 1.00 66.81 ? 169 ASP o CG 1 +ATOM 44698 O OD1 . ASP EA 13 167 ? 7.554 22.871 -35.596 1.00 63.59 ? 169 ASP o OD1 1 +ATOM 44699 O OD2 . ASP EA 13 167 ? 7.204 24.139 -37.346 1.00 70.59 ? 169 ASP o OD2 1 +ATOM 44700 N N . SER EA 13 168 ? 6.064 19.961 -34.874 1.00 54.33 ? 170 SER o N 1 +ATOM 44701 C CA . SER EA 13 168 ? 6.804 18.751 -35.175 1.00 55.78 ? 170 SER o CA 1 +ATOM 44702 C C . SER EA 13 168 ? 6.746 17.835 -33.958 1.00 58.48 ? 170 SER o C 1 +ATOM 44703 O O . SER EA 13 168 ? 6.316 18.228 -32.863 1.00 49.87 ? 170 SER o O 1 +ATOM 44704 C CB . SER EA 13 168 ? 8.248 19.081 -35.554 1.00 52.89 ? 170 SER o CB 1 +ATOM 44705 O OG . SER EA 13 168 ? 8.906 19.644 -34.445 1.00 60.49 ? 170 SER o OG 1 +ATOM 44706 N N . ALA EA 13 169 ? 7.191 16.601 -34.177 1.00 49.08 ? 171 ALA o N 1 +ATOM 44707 C CA . ALA EA 13 169 ? 7.298 15.576 -33.148 1.00 45.80 ? 171 ALA o CA 1 +ATOM 44708 C C . ALA EA 13 169 ? 8.625 15.785 -32.428 1.00 50.18 ? 171 ALA o C 1 +ATOM 44709 O O . ALA EA 13 169 ? 9.642 15.192 -32.789 1.00 48.20 ? 171 ALA o O 1 +ATOM 44710 C CB . ALA EA 13 169 ? 7.212 14.192 -33.779 1.00 43.16 ? 171 ALA o CB 1 +ATOM 44711 N N . ILE EA 13 170 ? 8.616 16.629 -31.385 1.00 41.88 ? 172 ILE o N 1 +ATOM 44712 C CA . ILE EA 13 170 ? 9.886 17.045 -30.789 1.00 51.01 ? 172 ILE o CA 1 +ATOM 44713 C C . ILE EA 13 170 ? 10.571 15.928 -30.003 1.00 53.52 ? 172 ILE o C 1 +ATOM 44714 O O . ILE EA 13 170 ? 11.781 16.018 -29.754 1.00 50.84 ? 172 ILE o O 1 +ATOM 44715 C CB . ILE EA 13 170 ? 9.728 18.285 -29.888 1.00 49.05 ? 172 ILE o CB 1 +ATOM 44716 C CG1 . ILE EA 13 170 ? 8.841 17.973 -28.689 1.00 48.47 ? 172 ILE o CG1 1 +ATOM 44717 C CG2 . ILE EA 13 170 ? 9.154 19.466 -30.679 1.00 49.62 ? 172 ILE o CG2 1 +ATOM 44718 C CD1 . ILE EA 13 170 ? 8.950 19.002 -27.602 1.00 46.40 ? 172 ILE o CD1 1 +ATOM 44719 N N . ALA EA 13 171 ? 9.852 14.866 -29.616 1.00 46.59 ? 173 ALA o N 1 +ATOM 44720 C CA . ALA EA 13 171 ? 10.512 13.779 -28.891 1.00 46.24 ? 173 ALA o CA 1 +ATOM 44721 C C . ALA EA 13 171 ? 11.303 12.858 -29.802 1.00 50.59 ? 173 ALA o C 1 +ATOM 44722 O O . ALA EA 13 171 ? 12.018 11.991 -29.293 1.00 50.84 ? 173 ALA o O 1 +ATOM 44723 C CB . ALA EA 13 171 ? 9.505 12.947 -28.095 1.00 40.10 ? 173 ALA o CB 1 +ATOM 44724 N N . LEU EA 13 172 ? 11.182 13.006 -31.126 1.00 49.05 ? 174 LEU o N 1 +ATOM 44725 C CA . LEU EA 13 172 ? 11.907 12.192 -32.104 1.00 51.69 ? 174 LEU o CA 1 +ATOM 44726 C C . LEU EA 13 172 ? 12.728 13.151 -32.958 1.00 53.37 ? 174 LEU o C 1 +ATOM 44727 O O . LEU EA 13 172 ? 12.396 13.405 -34.124 1.00 51.34 ? 174 LEU o O 1 +ATOM 44728 C CB . LEU EA 13 172 ? 10.957 11.356 -32.963 1.00 50.77 ? 174 LEU o CB 1 +ATOM 44729 C CG . LEU EA 13 172 ? 9.928 10.499 -32.225 1.00 50.89 ? 174 LEU o CG 1 +ATOM 44730 C CD1 . LEU EA 13 172 ? 8.916 9.955 -33.205 1.00 59.85 ? 174 LEU o CD1 1 +ATOM 44731 C CD2 . LEU EA 13 172 ? 10.615 9.351 -31.499 1.00 59.78 ? 174 LEU o CD2 1 +ATOM 44732 N N . PRO EA 13 173 ? 13.791 13.728 -32.390 1.00 55.78 ? 175 PRO o N 1 +ATOM 44733 C CA . PRO EA 13 173 ? 14.435 14.878 -33.043 1.00 47.95 ? 175 PRO o CA 1 +ATOM 44734 C C . PRO EA 13 173 ? 14.957 14.598 -34.452 1.00 51.58 ? 175 PRO o C 1 +ATOM 44735 O O . PRO EA 13 173 ? 14.939 15.499 -35.287 1.00 47.96 ? 175 PRO o O 1 +ATOM 44736 C CB . PRO EA 13 173 ? 15.570 15.245 -32.071 1.00 47.38 ? 175 PRO o CB 1 +ATOM 44737 C CG . PRO EA 13 173 ? 15.705 14.079 -31.137 1.00 53.36 ? 175 PRO o CG 1 +ATOM 44738 C CD . PRO EA 13 173 ? 14.371 13.436 -31.066 1.00 49.81 ? 175 PRO o CD 1 +ATOM 44739 N N . GLN EA 13 174 ? 15.402 13.380 -34.751 1.00 49.05 ? 176 GLN o N 1 +ATOM 44740 C CA . GLN EA 13 174 ? 16.010 13.085 -36.038 1.00 45.93 ? 176 GLN o CA 1 +ATOM 44741 C C . GLN EA 13 174 ? 15.216 12.049 -36.827 1.00 49.73 ? 176 GLN o C 1 +ATOM 44742 O O . GLN EA 13 174 ? 15.758 11.414 -37.732 1.00 55.16 ? 176 GLN o O 1 +ATOM 44743 C CB . GLN EA 13 174 ? 17.464 12.645 -35.844 1.00 51.08 ? 176 GLN o CB 1 +ATOM 44744 C CG . GLN EA 13 174 ? 18.454 13.797 -35.555 1.00 48.32 ? 176 GLN o CG 1 +ATOM 44745 C CD . GLN EA 13 174 ? 18.702 14.686 -36.778 1.00 60.57 ? 176 GLN o CD 1 +ATOM 44746 O OE1 . GLN EA 13 174 ? 17.760 15.196 -37.389 1.00 50.52 ? 176 GLN o OE1 1 +ATOM 44747 N NE2 . GLN EA 13 174 ? 19.976 14.858 -37.146 1.00 47.86 ? 176 GLN o NE2 1 +ATOM 44748 N N . ALA EA 13 175 ? 13.931 11.886 -36.526 1.00 50.14 ? 177 ALA o N 1 +ATOM 44749 C CA . ALA EA 13 175 ? 13.063 11.014 -37.308 1.00 53.60 ? 177 ALA o CA 1 +ATOM 44750 C C . ALA EA 13 175 ? 12.702 11.670 -38.648 1.00 50.82 ? 177 ALA o C 1 +ATOM 44751 O O . ALA EA 13 175 ? 12.704 12.887 -38.783 1.00 55.45 ? 177 ALA o O 1 +ATOM 44752 C CB . ALA EA 13 175 ? 11.792 10.704 -36.523 1.00 45.79 ? 177 ALA o CB 1 +ATOM 44753 N N . LYS EA 13 176 ? 12.351 10.857 -39.638 1.00 62.21 ? 178 LYS o N 1 +ATOM 44754 C CA . LYS EA 13 176 ? 11.962 11.424 -40.928 1.00 59.75 ? 178 LYS o CA 1 +ATOM 44755 C C . LYS EA 13 176 ? 10.556 12.002 -40.836 1.00 61.79 ? 178 LYS o C 1 +ATOM 44756 O O . LYS EA 13 176 ? 9.586 11.275 -40.601 1.00 66.32 ? 178 LYS o O 1 +ATOM 44757 C CB . LYS EA 13 176 ? 12.084 10.401 -42.049 1.00 62.15 ? 178 LYS o CB 1 +ATOM 44758 C CG . LYS EA 13 176 ? 13.513 10.321 -42.570 1.00 83.80 ? 178 LYS o CG 1 +ATOM 44759 C CD . LYS EA 13 176 ? 13.602 9.765 -43.987 1.00 111.60 ? 178 LYS o CD 1 +ATOM 44760 C CE . LYS EA 13 176 ? 15.018 9.928 -44.553 1.00 108.63 ? 178 LYS o CE 1 +ATOM 44761 N NZ . LYS EA 13 176 ? 16.064 9.238 -43.742 1.00 70.34 ? 178 LYS o NZ 1 +ATOM 44762 N N . GLU EA 13 177 ? 10.466 13.327 -41.017 1.00 66.09 ? 179 GLU o N 1 +ATOM 44763 C CA . GLU EA 13 177 ? 9.239 14.065 -40.747 1.00 71.25 ? 179 GLU o CA 1 +ATOM 44764 C C . GLU EA 13 177 ? 8.100 13.659 -41.670 1.00 72.70 ? 179 GLU o C 1 +ATOM 44765 O O . GLU EA 13 177 ? 6.931 13.767 -41.286 1.00 68.75 ? 179 GLU o O 1 +ATOM 44766 C CB . GLU EA 13 177 ? 9.496 15.566 -40.893 1.00 72.08 ? 179 GLU o CB 1 +ATOM 44767 C CG . GLU EA 13 177 ? 10.527 16.163 -39.944 1.00 91.59 ? 179 GLU o CG 1 +ATOM 44768 C CD . GLU EA 13 177 ? 11.109 17.462 -40.491 1.00 103.95 ? 179 GLU o CD 1 +ATOM 44769 O OE1 . GLU EA 13 177 ? 10.979 17.686 -41.715 1.00 104.14 ? 179 GLU o OE1 1 +ATOM 44770 O OE2 . GLU EA 13 177 ? 11.690 18.258 -39.711 1.00 107.22 ? 179 GLU o OE2 1 +ATOM 44771 N N . GLU EA 13 178 ? 8.416 13.227 -42.898 1.00 78.07 ? 180 GLU o N 1 +ATOM 44772 C CA . GLU EA 13 178 ? 7.374 12.961 -43.889 1.00 84.67 ? 180 GLU o CA 1 +ATOM 44773 C C . GLU EA 13 178 ? 6.435 11.870 -43.414 1.00 70.98 ? 180 GLU o C 1 +ATOM 44774 O O . GLU EA 13 178 ? 5.227 11.918 -43.676 1.00 70.33 ? 180 GLU o O 1 +ATOM 44775 C CB . GLU EA 13 178 ? 7.993 12.560 -45.235 1.00 82.32 ? 180 GLU o CB 1 +ATOM 44776 C CG . GLU EA 13 178 ? 9.189 13.392 -45.646 1.00 80.50 ? 180 GLU o CG 1 +ATOM 44777 C CD . GLU EA 13 178 ? 10.503 12.787 -45.169 1.00 106.16 ? 180 GLU o CD 1 +ATOM 44778 O OE1 . GLU EA 13 178 ? 10.853 11.669 -45.636 1.00 93.77 ? 180 GLU o OE1 1 +ATOM 44779 O OE2 . GLU EA 13 178 ? 11.171 13.426 -44.315 1.00 87.07 ? 180 GLU o OE2 1 +ATOM 44780 N N . GLU EA 13 179 ? 6.969 10.881 -42.708 1.00 64.81 ? 181 GLU o N 1 +ATOM 44781 C CA . GLU EA 13 179 ? 6.124 9.831 -42.176 1.00 64.89 ? 181 GLU o CA 1 +ATOM 44782 C C . GLU EA 13 179 ? 5.098 10.377 -41.185 1.00 65.51 ? 181 GLU o C 1 +ATOM 44783 O O . GLU EA 13 179 ? 4.054 9.747 -40.979 1.00 67.27 ? 181 GLU o O 1 +ATOM 44784 C CB . GLU EA 13 179 ? 7.018 8.763 -41.533 1.00 86.15 ? 181 GLU o CB 1 +ATOM 44785 C CG . GLU EA 13 179 ? 6.299 7.520 -41.005 1.00 122.28 ? 181 GLU o CG 1 +ATOM 44786 C CD . GLU EA 13 179 ? 7.218 6.640 -40.162 1.00 145.42 ? 181 GLU o CD 1 +ATOM 44787 O OE1 . GLU EA 13 179 ? 8.436 6.615 -40.459 1.00 148.18 ? 181 GLU o OE1 1 +ATOM 44788 O OE2 . GLU EA 13 179 ? 6.731 5.990 -39.201 1.00 134.09 ? 181 GLU o OE2 1 +ATOM 44789 N N . LEU EA 13 180 ? 5.341 11.554 -40.600 1.00 59.87 ? 182 LEU o N 1 +ATOM 44790 C CA . LEU EA 13 180 ? 4.527 12.052 -39.492 1.00 57.40 ? 182 LEU o CA 1 +ATOM 44791 C C . LEU EA 13 180 ? 3.696 13.288 -39.854 1.00 65.78 ? 182 LEU o C 1 +ATOM 44792 O O . LEU EA 13 180 ? 3.071 13.882 -38.969 1.00 56.16 ? 182 LEU o O 1 +ATOM 44793 C CB . LEU EA 13 180 ? 5.431 12.332 -38.295 1.00 53.00 ? 182 LEU o CB 1 +ATOM 44794 C CG . LEU EA 13 180 ? 6.127 11.082 -37.720 1.00 60.80 ? 182 LEU o CG 1 +ATOM 44795 C CD1 . LEU EA 13 180 ? 7.279 11.508 -36.816 1.00 60.28 ? 182 LEU o CD1 1 +ATOM 44796 C CD2 . LEU EA 13 180 ? 5.165 10.161 -36.952 1.00 52.14 ? 182 LEU o CD2 1 +ATOM 44797 N N . ALA EA 13 181 ? 3.639 13.659 -41.143 1.00 55.96 ? 183 ALA o N 1 +ATOM 44798 C CA . ALA EA 13 181 ? 2.964 14.886 -41.562 1.00 56.05 ? 183 ALA o CA 1 +ATOM 44799 C C . ALA EA 13 181 ? 1.483 14.894 -41.194 1.00 49.33 ? 183 ALA o C 1 +ATOM 44800 O O . ALA EA 13 181 ? 0.944 15.938 -40.809 1.00 56.49 ? 183 ALA o O 1 +ATOM 44801 C CB . ALA EA 13 181 ? 3.126 15.076 -43.072 1.00 54.03 ? 183 ALA o CB 1 +ATOM 44802 N N . ARG EA 13 182 ? 0.797 13.757 -41.312 1.00 50.28 ? 184 ARG o N 1 +ATOM 44803 C CA . ARG EA 13 182 ? -0.633 13.776 -41.024 1.00 55.56 ? 184 ARG o CA 1 +ATOM 44804 C C . ARG EA 13 182 ? -0.906 14.091 -39.562 1.00 61.63 ? 184 ARG o C 1 +ATOM 44805 O O . ARG EA 13 182 ? -1.915 14.735 -39.246 1.00 60.31 ? 184 ARG o O 1 +ATOM 44806 C CB . ARG EA 13 182 ? -1.301 12.451 -41.397 1.00 59.80 ? 184 ARG o CB 1 +ATOM 44807 C CG . ARG EA 13 182 ? -2.802 12.667 -41.603 1.00 81.34 ? 184 ARG o CG 1 +ATOM 44808 C CD . ARG EA 13 182 ? -3.609 11.424 -41.987 1.00 88.39 ? 184 ARG o CD 1 +ATOM 44809 N NE . ARG EA 13 182 ? -5.018 11.785 -42.160 1.00 99.90 ? 184 ARG o NE 1 +ATOM 44810 C CZ . ARG EA 13 182 ? -6.002 10.941 -42.452 1.00 93.73 ? 184 ARG o CZ 1 +ATOM 44811 N NH1 . ARG EA 13 182 ? -5.774 9.651 -42.657 1.00 107.14 ? 184 ARG o NH1 1 +ATOM 44812 N NH2 . ARG EA 13 182 ? -7.249 11.402 -42.533 1.00 79.82 ? 184 ARG o NH2 1 +ATOM 44813 N N . ALA EA 13 183 ? -0.015 13.665 -38.665 1.00 51.77 ? 185 ALA o N 1 +ATOM 44814 C CA . ALA EA 13 183 ? -0.156 13.938 -37.243 1.00 50.81 ? 185 ALA o CA 1 +ATOM 44815 C C . ALA EA 13 183 ? 0.425 15.291 -36.839 1.00 52.07 ? 185 ALA o C 1 +ATOM 44816 O O . ALA EA 13 183 ? -0.056 15.903 -35.869 1.00 51.19 ? 185 ALA o O 1 +ATOM 44817 C CB . ALA EA 13 183 ? 0.511 12.815 -36.438 1.00 46.59 ? 185 ALA o CB 1 +ATOM 44818 N N . ASN EA 13 184 ? 1.444 15.778 -37.565 1.00 50.68 ? 186 ASN o N 1 +ATOM 44819 C CA . ASN EA 13 184 ? 2.093 17.041 -37.207 1.00 49.90 ? 186 ASN o CA 1 +ATOM 44820 C C . ASN EA 13 184 ? 1.316 18.263 -37.680 1.00 50.75 ? 186 ASN o C 1 +ATOM 44821 O O . ASN EA 13 184 ? 1.345 19.309 -37.021 1.00 60.41 ? 186 ASN o O 1 +ATOM 44822 C CB . ASN EA 13 184 ? 3.502 17.093 -37.799 1.00 53.53 ? 186 ASN o CB 1 +ATOM 44823 C CG . ASN EA 13 184 ? 4.496 16.262 -37.020 1.00 53.42 ? 186 ASN o CG 1 +ATOM 44824 O OD1 . ASN EA 13 184 ? 4.250 15.901 -35.876 1.00 48.66 ? 186 ASN o OD1 1 +ATOM 44825 N ND2 . ASN EA 13 184 ? 5.631 15.960 -37.636 1.00 50.71 ? 186 ASN o ND2 1 +ATOM 44826 N N . VAL EA 13 185 ? 0.626 18.158 -38.806 1.00 52.94 ? 187 VAL o N 1 +ATOM 44827 C CA . VAL EA 13 185 ? -0.004 19.300 -39.466 1.00 61.62 ? 187 VAL o CA 1 +ATOM 44828 C C . VAL EA 13 185 ? -1.496 19.200 -39.172 1.00 49.58 ? 187 VAL o C 1 +ATOM 44829 O O . VAL EA 13 185 ? -2.199 18.380 -39.759 1.00 58.97 ? 187 VAL o O 1 +ATOM 44830 C CB . VAL EA 13 185 ? 0.292 19.309 -40.973 1.00 62.56 ? 187 VAL o CB 1 +ATOM 44831 C CG1 . VAL EA 13 185 ? -0.403 20.484 -41.660 1.00 58.30 ? 187 VAL o CG1 1 +ATOM 44832 C CG2 . VAL EA 13 185 ? 1.804 19.397 -41.226 1.00 48.40 ? 187 VAL o CG2 1 +ATOM 44833 N N . LYS EA 13 186 ? -1.990 20.041 -38.272 1.00 49.77 ? 188 LYS o N 1 +ATOM 44834 C CA . LYS EA 13 186 ? -3.398 19.992 -37.895 1.00 48.40 ? 188 LYS o CA 1 +ATOM 44835 C C . LYS EA 13 186 ? -4.247 20.720 -38.928 1.00 61.67 ? 188 LYS o C 1 +ATOM 44836 O O . LYS EA 13 186 ? -3.834 21.737 -39.484 1.00 58.52 ? 188 LYS o O 1 +ATOM 44837 C CB . LYS EA 13 186 ? -3.606 20.620 -36.514 1.00 47.61 ? 188 LYS o CB 1 +ATOM 44838 C CG . LYS EA 13 186 ? -2.697 20.042 -35.408 1.00 49.69 ? 188 LYS o CG 1 +ATOM 44839 C CD . LYS EA 13 186 ? -2.736 18.501 -35.374 1.00 49.61 ? 188 LYS o CD 1 +ATOM 44840 C CE . LYS EA 13 186 ? -2.042 17.961 -34.121 1.00 49.05 ? 188 LYS o CE 1 +ATOM 44841 N NZ . LYS EA 13 186 ? -2.027 16.482 -34.075 1.00 46.38 ? 188 LYS o NZ 1 +ATOM 44842 N N . ARG EA 13 187 ? -5.432 20.191 -39.184 1.00 54.67 ? 189 ARG o N 1 +ATOM 44843 C CA . ARG EA 13 187 ? -6.331 20.734 -40.185 1.00 55.85 ? 189 ARG o CA 1 +ATOM 44844 C C . ARG EA 13 187 ? -7.700 20.936 -39.567 1.00 60.61 ? 189 ARG o C 1 +ATOM 44845 O O . ARG EA 13 187 ? -8.181 20.088 -38.818 1.00 64.98 ? 189 ARG o O 1 +ATOM 44846 C CB . ARG EA 13 187 ? -6.422 19.817 -41.396 1.00 50.56 ? 189 ARG o CB 1 +ATOM 44847 C CG . ARG EA 13 187 ? -5.142 19.826 -42.214 1.00 62.21 ? 189 ARG o CG 1 +ATOM 44848 C CD . ARG EA 13 187 ? -5.196 18.826 -43.329 1.00 64.17 ? 189 ARG o CD 1 +ATOM 44849 N NE . ARG EA 13 187 ? -5.279 17.451 -42.855 1.00 81.26 ? 189 ARG o NE 1 +ATOM 44850 C CZ . ARG EA 13 187 ? -5.716 16.440 -43.596 1.00 95.66 ? 189 ARG o CZ 1 +ATOM 44851 N NH1 . ARG EA 13 187 ? -6.143 16.629 -44.838 1.00 79.33 ? 189 ARG o NH1 1 +ATOM 44852 N NH2 . ARG EA 13 187 ? -5.735 15.211 -43.078 1.00 66.24 ? 189 ARG o NH2 1 +ATOM 44853 N N . PHE EA 13 188 ? -8.319 22.068 -39.874 1.00 63.08 ? 190 PHE o N 1 +ATOM 44854 C CA . PHE EA 13 188 ? -9.603 22.434 -39.293 1.00 53.73 ? 190 PHE o CA 1 +ATOM 44855 C C . PHE EA 13 188 ? -10.658 22.137 -40.353 1.00 59.02 ? 190 PHE o C 1 +ATOM 44856 O O . PHE EA 13 188 ? -10.672 22.776 -41.401 1.00 62.64 ? 190 PHE o O 1 +ATOM 44857 C CB . PHE EA 13 188 ? -9.580 23.905 -38.887 1.00 53.42 ? 190 PHE o CB 1 +ATOM 44858 C CG . PHE EA 13 188 ? -10.755 24.351 -38.068 1.00 57.19 ? 190 PHE o CG 1 +ATOM 44859 C CD1 . PHE EA 13 188 ? -12.007 24.541 -38.656 1.00 51.43 ? 190 PHE o CD1 1 +ATOM 44860 C CD2 . PHE EA 13 188 ? -10.597 24.634 -36.715 1.00 55.17 ? 190 PHE o CD2 1 +ATOM 44861 C CE1 . PHE EA 13 188 ? -13.092 24.965 -37.892 1.00 53.16 ? 190 PHE o CE1 1 +ATOM 44862 C CE2 . PHE EA 13 188 ? -11.673 25.072 -35.943 1.00 56.34 ? 190 PHE o CE2 1 +ATOM 44863 C CZ . PHE EA 13 188 ? -12.925 25.235 -36.539 1.00 54.70 ? 190 PHE o CZ 1 +ATOM 44864 N N . SER EA 13 189 ? -11.512 21.149 -40.110 1.00 56.54 ? 191 SER o N 1 +ATOM 44865 C CA . SER EA 13 189 ? -12.526 20.833 -41.102 1.00 57.69 ? 191 SER o CA 1 +ATOM 44866 C C . SER EA 13 189 ? -13.794 21.654 -40.869 1.00 59.15 ? 191 SER o C 1 +ATOM 44867 O O . SER EA 13 189 ? -14.054 22.151 -39.772 1.00 62.99 ? 191 SER o O 1 +ATOM 44868 C CB . SER EA 13 189 ? -12.858 19.334 -41.092 1.00 62.86 ? 191 SER o CB 1 +ATOM 44869 O OG . SER EA 13 189 ? -13.690 19.010 -39.998 1.00 72.68 ? 191 SER o OG 1 +ATOM 44870 N N . LEU EA 13 190 ? -14.570 21.820 -41.939 1.00 62.74 ? 192 LEU o N 1 +ATOM 44871 C CA . LEU EA 13 190 ? -15.909 22.402 -41.865 1.00 61.33 ? 192 LEU o CA 1 +ATOM 44872 C C . LEU EA 13 190 ? -16.747 21.664 -42.883 1.00 54.11 ? 192 LEU o C 1 +ATOM 44873 O O . LEU EA 13 190 ? -16.382 21.635 -44.056 1.00 64.75 ? 192 LEU o O 1 +ATOM 44874 C CB . LEU EA 13 190 ? -15.909 23.906 -42.164 1.00 51.85 ? 192 LEU o CB 1 +ATOM 44875 C CG . LEU EA 13 190 ? -17.244 24.666 -42.110 1.00 67.12 ? 192 LEU o CG 1 +ATOM 44876 C CD1 . LEU EA 13 190 ? -17.843 24.716 -40.691 1.00 55.64 ? 192 LEU o CD1 1 +ATOM 44877 C CD2 . LEU EA 13 190 ? -17.023 26.076 -42.607 1.00 69.67 ? 192 LEU o CD2 1 +ATOM 44878 N N . THR EA 13 191 ? -17.826 21.036 -42.436 1.00 55.28 ? 193 THR o N 1 +ATOM 44879 C CA . THR EA 13 191 ? -18.657 20.193 -43.281 1.00 55.53 ? 193 THR o CA 1 +ATOM 44880 C C . THR EA 13 191 ? -20.114 20.573 -43.068 1.00 55.93 ? 193 THR o C 1 +ATOM 44881 O O . THR EA 13 191 ? -20.436 21.496 -42.324 1.00 58.24 ? 193 THR o O 1 +ATOM 44882 C CB . THR EA 13 191 ? -18.429 18.685 -43.021 1.00 65.13 ? 193 THR o CB 1 +ATOM 44883 O OG1 . THR EA 13 191 ? -18.690 18.342 -41.642 1.00 61.21 ? 193 THR o OG1 1 +ATOM 44884 C CG2 . THR EA 13 191 ? -17.004 18.288 -43.374 1.00 65.31 ? 193 THR o CG2 1 +ATOM 44885 N N . LYS EA 13 192 ? -20.994 19.845 -43.731 1.00 58.97 ? 194 LYS o N 1 +ATOM 44886 C CA . LYS EA 13 192 ? -22.410 20.143 -43.743 1.00 67.95 ? 194 LYS o CA 1 +ATOM 44887 C C . LYS EA 13 192 ? -23.163 18.939 -43.214 1.00 60.49 ? 194 LYS o C 1 +ATOM 44888 O O . LYS EA 13 192 ? -22.723 17.798 -43.364 1.00 65.99 ? 194 LYS o O 1 +ATOM 44889 C CB . LYS EA 13 192 ? -22.903 20.483 -45.172 1.00 62.73 ? 194 LYS o CB 1 +ATOM 44890 C CG . LYS EA 13 192 ? -22.511 21.874 -45.642 1.00 71.30 ? 194 LYS o CG 1 +ATOM 44891 C CD . LYS EA 13 192 ? -23.727 22.688 -46.080 1.00 107.19 ? 194 LYS o CD 1 +ATOM 44892 C CE . LYS EA 13 192 ? -23.749 24.075 -45.432 1.00 113.14 ? 194 LYS o CE 1 +ATOM 44893 N NZ . LYS EA 13 192 ? -22.451 24.801 -45.603 1.00 111.27 ? 194 LYS o NZ 1 +ATOM 44894 N N . GLY EA 13 193 ? -24.306 19.200 -42.597 1.00 54.88 ? 195 GLY o N 1 +ATOM 44895 C CA . GLY EA 13 193 ? -25.202 18.145 -42.198 1.00 60.35 ? 195 GLY o CA 1 +ATOM 44896 C C . GLY EA 13 193 ? -26.614 18.489 -42.624 1.00 55.84 ? 195 GLY o C 1 +ATOM 44897 O O . GLY EA 13 193 ? -26.902 19.607 -43.018 1.00 60.64 ? 195 GLY o O 1 +ATOM 44898 N N . GLN EA 13 194 ? -27.489 17.506 -42.520 1.00 61.52 ? 196 GLN o N 1 +ATOM 44899 C CA . GLN EA 13 194 ? -28.868 17.663 -42.948 1.00 65.60 ? 196 GLN o CA 1 +ATOM 44900 C C . GLN EA 13 194 ? -29.780 17.267 -41.807 1.00 61.36 ? 196 GLN o C 1 +ATOM 44901 O O . GLN EA 13 194 ? -29.487 16.327 -41.067 1.00 62.09 ? 196 GLN o O 1 +ATOM 44902 C CB . GLN EA 13 194 ? -29.194 16.796 -44.183 1.00 65.80 ? 196 GLN o CB 1 +ATOM 44903 C CG . GLN EA 13 194 ? -28.611 17.311 -45.486 1.00 79.86 ? 196 GLN o CG 1 +ATOM 44904 C CD . GLN EA 13 194 ? -27.114 17.043 -45.612 1.00 115.51 ? 196 GLN o CD 1 +ATOM 44905 O OE1 . GLN EA 13 194 ? -26.634 15.932 -45.327 1.00 98.55 ? 196 GLN o OE1 1 +ATOM 44906 N NE2 . GLN EA 13 194 ? -26.363 18.069 -46.029 1.00 104.20 ? 196 GLN o NE2 1 +ATOM 44907 N N . ILE EA 13 195 ? -30.908 17.956 -41.695 1.00 59.64 ? 197 ILE o N 1 +ATOM 44908 C CA . ILE EA 13 195 ? -31.893 17.631 -40.676 1.00 58.75 ? 197 ILE o CA 1 +ATOM 44909 C C . ILE EA 13 195 ? -33.297 17.694 -41.271 1.00 60.05 ? 197 ILE o C 1 +ATOM 44910 O O . ILE EA 13 195 ? -33.592 18.533 -42.128 1.00 61.26 ? 197 ILE o O 1 +ATOM 44911 C CB . ILE EA 13 195 ? -31.736 18.561 -39.455 1.00 61.89 ? 197 ILE o CB 1 +ATOM 44912 C CG1 . ILE EA 13 195 ? -32.615 18.094 -38.289 1.00 52.28 ? 197 ILE o CG1 1 +ATOM 44913 C CG2 . ILE EA 13 195 ? -32.002 20.002 -39.839 1.00 57.86 ? 197 ILE o CG2 1 +ATOM 44914 C CD1 . ILE EA 13 195 ? -32.228 18.733 -36.983 1.00 60.32 ? 197 ILE o CD1 1 +ATOM 44915 N N . SER EA 13 196 ? -34.149 16.773 -40.833 1.00 62.96 ? 198 SER o N 1 +ATOM 44916 C CA . SER EA 13 196 ? -35.584 16.789 -41.088 1.00 67.86 ? 198 SER o CA 1 +ATOM 44917 C C . SER EA 13 196 ? -36.311 16.939 -39.760 1.00 69.64 ? 198 SER o C 1 +ATOM 44918 O O . SER EA 13 196 ? -36.006 16.219 -38.806 1.00 77.34 ? 198 SER o O 1 +ATOM 44919 C CB . SER EA 13 196 ? -36.037 15.501 -41.777 1.00 62.08 ? 198 SER o CB 1 +ATOM 44920 O OG . SER EA 13 196 ? -35.634 15.504 -43.128 1.00 98.95 ? 198 SER o OG 1 +ATOM 44921 N N . LEU EA 13 197 ? -37.273 17.858 -39.699 1.00 74.80 ? 199 LEU o N 1 +ATOM 44922 C CA . LEU EA 13 197 ? -38.087 18.071 -38.505 1.00 65.11 ? 199 LEU o CA 1 +ATOM 44923 C C . LEU EA 13 197 ? -39.537 17.742 -38.842 1.00 78.61 ? 199 LEU o C 1 +ATOM 44924 O O . LEU EA 13 197 ? -40.179 18.454 -39.623 1.00 80.72 ? 199 LEU o O 1 +ATOM 44925 C CB . LEU EA 13 197 ? -37.944 19.499 -37.995 1.00 63.02 ? 199 LEU o CB 1 +ATOM 44926 C CG . LEU EA 13 197 ? -36.519 19.807 -37.547 1.00 71.85 ? 199 LEU o CG 1 +ATOM 44927 C CD1 . LEU EA 13 197 ? -36.091 21.145 -38.091 1.00 78.74 ? 199 LEU o CD1 1 +ATOM 44928 C CD2 . LEU EA 13 197 ? -36.428 19.793 -36.029 1.00 77.72 ? 199 LEU o CD2 1 +ATOM 44929 N N . ASN EA 13 198 ? -40.050 16.668 -38.251 1.00 66.57 ? 200 ASN o N 1 +ATOM 44930 C CA . ASN EA 13 198 ? -41.401 16.176 -38.518 1.00 73.75 ? 200 ASN o CA 1 +ATOM 44931 C C . ASN EA 13 198 ? -42.328 16.675 -37.412 1.00 75.95 ? 200 ASN o C 1 +ATOM 44932 O O . ASN EA 13 198 ? -42.338 16.132 -36.305 1.00 73.34 ? 200 ASN o O 1 +ATOM 44933 C CB . ASN EA 13 198 ? -41.394 14.652 -38.608 1.00 76.69 ? 200 ASN o CB 1 +ATOM 44934 C CG . ASN EA 13 198 ? -42.753 14.071 -38.977 1.00 87.88 ? 200 ASN o CG 1 +ATOM 44935 O OD1 . ASN EA 13 198 ? -43.736 14.796 -39.150 1.00 99.67 ? 200 ASN o OD1 1 +ATOM 44936 N ND2 . ASN EA 13 198 ? -42.808 12.753 -39.107 1.00 106.17 ? 200 ASN o ND2 1 +ATOM 44937 N N . VAL EA 13 199 ? -43.103 17.722 -37.710 1.00 64.71 ? 201 VAL o N 1 +ATOM 44938 C CA . VAL EA 13 199 ? -44.071 18.222 -36.744 1.00 63.60 ? 201 VAL o CA 1 +ATOM 44939 C C . VAL EA 13 199 ? -45.126 17.159 -36.484 1.00 76.50 ? 201 VAL o C 1 +ATOM 44940 O O . VAL EA 13 199 ? -45.725 16.610 -37.418 1.00 76.87 ? 201 VAL o O 1 +ATOM 44941 C CB . VAL EA 13 199 ? -44.718 19.518 -37.244 1.00 64.85 ? 201 VAL o CB 1 +ATOM 44942 C CG1 . VAL EA 13 199 ? -45.792 19.954 -36.273 1.00 64.90 ? 201 VAL o CG1 1 +ATOM 44943 C CG2 . VAL EA 13 199 ? -43.668 20.600 -37.396 1.00 62.83 ? 201 VAL o CG2 1 +ATOM 44944 N N . ALA EA 13 200 ? -45.343 16.845 -35.207 1.00 76.15 ? 202 ALA o N 1 +ATOM 44945 C CA . ALA EA 13 200 ? -46.354 15.877 -34.812 1.00 78.38 ? 202 ALA o CA 1 +ATOM 44946 C C . ALA EA 13 200 ? -47.429 16.453 -33.904 1.00 67.79 ? 202 ALA o C 1 +ATOM 44947 O O . ALA EA 13 200 ? -48.517 15.874 -33.824 1.00 87.90 ? 202 ALA o O 1 +ATOM 44948 C CB . ALA EA 13 200 ? -45.707 14.675 -34.106 1.00 73.47 ? 202 ALA o CB 1 +ATOM 44949 N N . LYS EA 13 201 ? -47.159 17.558 -33.219 1.00 72.06 ? 203 LYS o N 1 +ATOM 44950 C CA . LYS EA 13 201 ? -48.122 18.159 -32.314 1.00 70.01 ? 203 LYS o CA 1 +ATOM 44951 C C . LYS EA 13 201 ? -48.075 19.664 -32.505 1.00 83.37 ? 203 LYS o C 1 +ATOM 44952 O O . LYS EA 13 201 ? -46.991 20.254 -32.572 1.00 72.80 ? 203 LYS o O 1 +ATOM 44953 C CB . LYS EA 13 201 ? -47.825 17.785 -30.856 1.00 90.37 ? 203 LYS o CB 1 +ATOM 44954 C CG . LYS EA 13 201 ? -48.148 16.326 -30.505 1.00 80.01 ? 203 LYS o CG 1 +ATOM 44955 C CD . LYS EA 13 201 ? -47.599 15.935 -29.141 1.00 90.94 ? 203 LYS o CD 1 +ATOM 44956 C CE . LYS EA 13 201 ? -47.671 14.426 -28.935 1.00 126.17 ? 203 LYS o CE 1 +ATOM 44957 N NZ . LYS EA 13 201 ? -46.931 13.971 -27.719 1.00 126.95 ? 203 LYS o NZ 1 +ATOM 44958 N N . VAL EA 13 202 ? -49.250 20.272 -32.622 1.00 80.37 ? 204 VAL o N 1 +ATOM 44959 C CA . VAL EA 13 202 ? -49.386 21.713 -32.767 1.00 76.17 ? 204 VAL o CA 1 +ATOM 44960 C C . VAL EA 13 202 ? -50.415 22.188 -31.754 1.00 83.25 ? 204 VAL o C 1 +ATOM 44961 O O . VAL EA 13 202 ? -51.523 21.645 -31.682 1.00 81.89 ? 204 VAL o O 1 +ATOM 44962 C CB . VAL EA 13 202 ? -49.807 22.118 -34.195 1.00 80.48 ? 204 VAL o CB 1 +ATOM 44963 C CG1 . VAL EA 13 202 ? -49.864 23.636 -34.324 1.00 60.34 ? 204 VAL o CG1 1 +ATOM 44964 C CG2 . VAL EA 13 202 ? -48.865 21.520 -35.234 1.00 67.67 ? 204 VAL o CG2 1 +ATOM 44965 N N . ASP EA 13 203 ? -50.044 23.173 -30.953 1.00 79.59 ? 205 ASP o N 1 +ATOM 44966 C CA . ASP EA 13 203 ? -51.007 23.924 -30.156 1.00 83.78 ? 205 ASP o CA 1 +ATOM 44967 C C . ASP EA 13 203 ? -51.241 25.222 -30.917 1.00 94.44 ? 205 ASP o C 1 +ATOM 44968 O O . ASP EA 13 203 ? -50.467 26.177 -30.788 1.00 84.59 ? 205 ASP o O 1 +ATOM 44969 C CB . ASP EA 13 203 ? -50.494 24.171 -28.741 1.00 93.53 ? 205 ASP o CB 1 +ATOM 44970 C CG . ASP EA 13 203 ? -51.565 24.724 -27.814 1.00 98.74 ? 205 ASP o CG 1 +ATOM 44971 O OD1 . ASP EA 13 203 ? -52.431 25.496 -28.284 1.00 96.74 ? 205 ASP o OD1 1 +ATOM 44972 O OD2 . ASP EA 13 203 ? -51.540 24.385 -26.610 1.00 93.69 ? 205 ASP o OD2 1 +ATOM 44973 N N . GLY EA 13 204 ? -52.299 25.243 -31.736 1.00 80.01 ? 206 GLY o N 1 +ATOM 44974 C CA . GLY EA 13 204 ? -52.589 26.415 -32.544 1.00 97.48 ? 206 GLY o CA 1 +ATOM 44975 C C . GLY EA 13 204 ? -52.812 27.666 -31.727 1.00 84.09 ? 206 GLY o C 1 +ATOM 44976 O O . GLY EA 13 204 ? -52.604 28.774 -32.228 1.00 112.68 ? 206 GLY o O 1 +ATOM 44977 N N . ARG EA 13 205 ? -53.192 27.505 -30.466 1.00 93.48 ? 207 ARG o N 1 +ATOM 44978 C CA . ARG EA 13 205 ? -53.447 28.616 -29.564 1.00 81.67 ? 207 ARG o CA 1 +ATOM 44979 C C . ARG EA 13 205 ? -52.153 29.244 -29.055 1.00 98.20 ? 207 ARG o C 1 +ATOM 44980 O O . ARG EA 13 205 ? -52.027 30.474 -29.037 1.00 101.01 ? 207 ARG o O 1 +ATOM 44981 C CB . ARG EA 13 205 ? -54.319 28.104 -28.420 1.00 96.05 ? 207 ARG o CB 1 +ATOM 44982 C CG . ARG EA 13 205 ? -54.411 28.957 -27.182 1.00 129.91 ? 207 ARG o CG 1 +ATOM 44983 C CD . ARG EA 13 205 ? -55.122 28.167 -26.073 1.00 150.00 ? 207 ARG o CD 1 +ATOM 44984 N NE . ARG EA 13 205 ? -54.290 27.109 -25.500 1.00 169.56 ? 207 ARG o NE 1 +ATOM 44985 C CZ . ARG EA 13 205 ? -54.286 25.838 -25.891 1.00 167.22 ? 207 ARG o CZ 1 +ATOM 44986 N NH1 . ARG EA 13 205 ? -55.053 25.414 -26.886 1.00 167.26 ? 207 ARG o NH1 1 +ATOM 44987 N NH2 . ARG EA 13 205 ? -53.491 24.969 -25.270 1.00 151.95 ? 207 ARG o NH2 1 +ATOM 44988 N N . THR EA 13 206 ? -51.176 28.430 -28.645 1.00 98.89 ? 208 THR o N 1 +ATOM 44989 C CA . THR EA 13 206 ? -49.954 28.957 -28.042 1.00 82.22 ? 208 THR o CA 1 +ATOM 44990 C C . THR EA 13 206 ? -48.826 29.192 -29.036 1.00 93.89 ? 208 THR o C 1 +ATOM 44991 O O . THR EA 13 206 ? -47.855 29.875 -28.692 1.00 83.90 ? 208 THR o O 1 +ATOM 44992 C CB . THR EA 13 206 ? -49.434 28.012 -26.957 1.00 72.32 ? 208 THR o CB 1 +ATOM 44993 O OG1 . THR EA 13 206 ? -49.064 26.762 -27.553 1.00 107.63 ? 208 THR o OG1 1 +ATOM 44994 C CG2 . THR EA 13 206 ? -50.498 27.766 -25.903 1.00 115.84 ? 208 THR o CG2 1 +ATOM 44995 N N . GLY EA 13 207 ? -48.916 28.644 -30.245 1.00 91.79 ? 209 GLY o N 1 +ATOM 44996 C CA . GLY EA 13 207 ? -47.785 28.697 -31.150 1.00 90.32 ? 209 GLY o CA 1 +ATOM 44997 C C . GLY EA 13 207 ? -46.668 27.741 -30.794 1.00 96.79 ? 209 GLY o C 1 +ATOM 44998 O O . GLY EA 13 207 ? -45.499 28.021 -31.092 1.00 80.80 ? 209 GLY o O 1 +ATOM 44999 N N . GLU EA 13 208 ? -46.995 26.617 -30.162 1.00 71.94 ? 210 GLU o N 1 +ATOM 45000 C CA . GLU EA 13 208 ? -46.020 25.615 -29.770 1.00 72.41 ? 210 GLU o CA 1 +ATOM 45001 C C . GLU EA 13 208 ? -46.170 24.384 -30.650 1.00 88.71 ? 210 GLU o C 1 +ATOM 45002 O O . GLU EA 13 208 ? -47.281 23.861 -30.812 1.00 75.61 ? 210 GLU o O 1 +ATOM 45003 C CB . GLU EA 13 208 ? -46.201 25.225 -28.306 1.00 79.89 ? 210 GLU o CB 1 +ATOM 45004 C CG . GLU EA 13 208 ? -45.921 26.329 -27.314 1.00 88.37 ? 210 GLU o CG 1 +ATOM 45005 C CD . GLU EA 13 208 ? -46.099 25.847 -25.890 1.00 90.13 ? 210 GLU o CD 1 +ATOM 45006 O OE1 . GLU EA 13 208 ? -47.162 25.255 -25.596 1.00 86.21 ? 210 GLU o OE1 1 +ATOM 45007 O OE2 . GLU EA 13 208 ? -45.170 26.034 -25.077 1.00 78.17 ? 210 GLU o OE2 1 +ATOM 45008 N N . ILE EA 13 209 ? -45.049 23.922 -31.206 1.00 88.11 ? 211 ILE o N 1 +ATOM 45009 C CA . ILE EA 13 209 ? -44.994 22.702 -32.000 1.00 71.50 ? 211 ILE o CA 1 +ATOM 45010 C C . ILE EA 13 209 ? -43.991 21.754 -31.359 1.00 79.64 ? 211 ILE o C 1 +ATOM 45011 O O . ILE EA 13 209 ? -43.023 22.184 -30.718 1.00 74.23 ? 211 ILE o O 1 +ATOM 45012 C CB . ILE EA 13 209 ? -44.612 22.982 -33.470 1.00 79.78 ? 211 ILE o CB 1 +ATOM 45013 C CG1 . ILE EA 13 209 ? -43.396 23.917 -33.538 1.00 79.56 ? 211 ILE o CG1 1 +ATOM 45014 C CG2 . ILE EA 13 209 ? -45.794 23.569 -34.226 1.00 83.71 ? 211 ILE o CG2 1 +ATOM 45015 C CD1 . ILE EA 13 209 ? -42.811 24.063 -34.915 1.00 69.34 ? 211 ILE o CD1 1 +ATOM 45016 N N . ALA EA 13 210 ? -44.238 20.454 -31.527 1.00 61.08 ? 212 ALA o N 1 +ATOM 45017 C CA . ALA EA 13 210 ? -43.280 19.432 -31.147 1.00 73.97 ? 212 ALA o CA 1 +ATOM 45018 C C . ALA EA 13 210 ? -43.339 18.290 -32.156 1.00 74.15 ? 212 ALA o C 1 +ATOM 45019 O O . ALA EA 13 210 ? -44.357 18.068 -32.817 1.00 67.93 ? 212 ALA o O 1 +ATOM 45020 C CB . ALA EA 13 210 ? -43.533 18.907 -29.717 1.00 60.94 ? 212 ALA o CB 1 +ATOM 45021 N N . GLY EA 13 211 ? -42.231 17.574 -32.271 1.00 57.93 ? 213 GLY o N 1 +ATOM 45022 C CA . GLY EA 13 211 ? -42.181 16.433 -33.154 1.00 59.29 ? 213 GLY o CA 1 +ATOM 45023 C C . GLY EA 13 211 ? -40.905 15.644 -32.966 1.00 80.19 ? 213 GLY o C 1 +ATOM 45024 O O . GLY EA 13 211 ? -40.249 15.728 -31.923 1.00 67.03 ? 213 GLY o O 1 +ATOM 45025 N N . THR EA 13 212 ? -40.574 14.866 -33.994 1.00 66.68 ? 214 THR o N 1 +ATOM 45026 C CA . THR EA 13 212 ? -39.353 14.077 -34.055 1.00 67.15 ? 214 THR o CA 1 +ATOM 45027 C C . THR EA 13 212 ? -38.414 14.663 -35.099 1.00 71.60 ? 214 THR o C 1 +ATOM 45028 O O . THR EA 13 212 ? -38.834 15.390 -36.004 1.00 66.90 ? 214 THR o O 1 +ATOM 45029 C CB . THR EA 13 212 ? -39.651 12.615 -34.407 1.00 66.15 ? 214 THR o CB 1 +ATOM 45030 O OG1 . THR EA 13 212 ? -40.328 12.566 -35.662 1.00 67.37 ? 214 THR o OG1 1 +ATOM 45031 C CG2 . THR EA 13 212 ? -40.518 11.963 -33.332 1.00 61.39 ? 214 THR o CG2 1 +ATOM 45032 N N . PHE EA 13 213 ? -37.128 14.351 -34.966 1.00 59.74 ? 215 PHE o N 1 +ATOM 45033 C CA . PHE EA 13 213 ? -36.160 14.835 -35.934 1.00 51.64 ? 215 PHE o CA 1 +ATOM 45034 C C . PHE EA 13 213 ? -35.186 13.722 -36.264 1.00 60.38 ? 215 PHE o C 1 +ATOM 45035 O O . PHE EA 13 213 ? -34.990 12.779 -35.492 1.00 62.58 ? 215 PHE o O 1 +ATOM 45036 C CB . PHE EA 13 213 ? -35.404 16.089 -35.453 1.00 55.80 ? 215 PHE o CB 1 +ATOM 45037 C CG . PHE EA 13 213 ? -34.347 15.826 -34.416 1.00 61.45 ? 215 PHE o CG 1 +ATOM 45038 C CD1 . PHE EA 13 213 ? -33.039 15.544 -34.789 1.00 64.86 ? 215 PHE o CD1 1 +ATOM 45039 C CD2 . PHE EA 13 213 ? -34.650 15.906 -33.058 1.00 65.74 ? 215 PHE o CD2 1 +ATOM 45040 C CE1 . PHE EA 13 213 ? -32.048 15.302 -33.817 1.00 66.23 ? 215 PHE o CE1 1 +ATOM 45041 C CE2 . PHE EA 13 213 ? -33.669 15.683 -32.094 1.00 65.09 ? 215 PHE o CE2 1 +ATOM 45042 C CZ . PHE EA 13 213 ? -32.366 15.375 -32.476 1.00 58.03 ? 215 PHE o CZ 1 +ATOM 45043 N N . GLU EA 13 214 ? -34.604 13.834 -37.451 1.00 62.98 ? 216 GLU o N 1 +ATOM 45044 C CA . GLU EA 13 214 ? -33.492 13.001 -37.866 1.00 60.42 ? 216 GLU o CA 1 +ATOM 45045 C C . GLU EA 13 214 ? -32.432 13.902 -38.477 1.00 64.26 ? 216 GLU o C 1 +ATOM 45046 O O . GLU EA 13 214 ? -32.742 14.775 -39.294 1.00 64.81 ? 216 GLU o O 1 +ATOM 45047 C CB . GLU EA 13 214 ? -33.935 11.924 -38.850 1.00 61.05 ? 216 GLU o CB 1 +ATOM 45048 C CG . GLU EA 13 214 ? -32.812 10.973 -39.245 1.00 82.63 ? 216 GLU o CG 1 +ATOM 45049 C CD . GLU EA 13 214 ? -33.314 9.698 -39.895 1.00 76.04 ? 216 GLU o CD 1 +ATOM 45050 O OE1 . GLU EA 13 214 ? -34.130 8.982 -39.273 1.00 93.16 ? 216 GLU o OE1 1 +ATOM 45051 O OE2 . GLU EA 13 214 ? -32.887 9.411 -41.033 1.00 112.35 ? 216 GLU o OE2 1 +ATOM 45052 N N . SER EA 13 215 ? -31.192 13.694 -38.069 1.00 57.69 ? 217 SER o N 1 +ATOM 45053 C CA . SER EA 13 215 ? -30.066 14.511 -38.480 1.00 56.35 ? 217 SER o CA 1 +ATOM 45054 C C . SER EA 13 215 ? -28.951 13.596 -38.971 1.00 62.25 ? 217 SER o C 1 +ATOM 45055 O O . SER EA 13 215 ? -28.807 12.469 -38.490 1.00 58.24 ? 217 SER o O 1 +ATOM 45056 C CB . SER EA 13 215 ? -29.595 15.366 -37.303 1.00 61.05 ? 217 SER o CB 1 +ATOM 45057 O OG . SER EA 13 215 ? -28.389 16.016 -37.613 1.00 88.20 ? 217 SER o OG 1 +ATOM 45058 N N . GLU EA 13 216 ? -28.175 14.070 -39.948 1.00 59.31 ? 218 GLU o N 1 +ATOM 45059 C CA . GLU EA 13 216 ? -27.025 13.323 -40.450 1.00 56.92 ? 218 GLU o CA 1 +ATOM 45060 C C . GLU EA 13 216 ? -25.831 14.259 -40.509 1.00 59.82 ? 218 GLU o C 1 +ATOM 45061 O O . GLU EA 13 216 ? -25.951 15.408 -40.947 1.00 52.63 ? 218 GLU o O 1 +ATOM 45062 C CB . GLU EA 13 216 ? -27.260 12.700 -41.855 1.00 62.65 ? 218 GLU o CB 1 +ATOM 45063 C CG . GLU EA 13 216 ? -28.070 11.404 -41.854 1.00 90.97 ? 218 GLU o CG 1 +ATOM 45064 C CD . GLU EA 13 216 ? -27.470 10.308 -42.747 1.00 111.03 ? 218 GLU o CD 1 +ATOM 45065 O OE1 . GLU EA 13 216 ? -26.254 10.027 -42.628 1.00 113.37 ? 218 GLU o OE1 1 +ATOM 45066 O OE2 . GLU EA 13 216 ? -28.214 9.718 -43.568 1.00 109.19 ? 218 GLU o OE2 1 +ATOM 45067 N N . GLN EA 13 217 ? -24.682 13.771 -40.054 1.00 53.70 ? 219 GLN o N 1 +ATOM 45068 C CA . GLN EA 13 217 ? -23.489 14.604 -40.001 1.00 55.16 ? 219 GLN o CA 1 +ATOM 45069 C C . GLN EA 13 217 ? -22.284 13.708 -39.779 1.00 52.16 ? 219 GLN o C 1 +ATOM 45070 O O . GLN EA 13 217 ? -22.413 12.504 -39.558 1.00 57.49 ? 219 GLN o O 1 +ATOM 45071 C CB . GLN EA 13 217 ? -23.589 15.651 -38.906 1.00 49.45 ? 219 GLN o CB 1 +ATOM 45072 C CG . GLN EA 13 217 ? -23.625 15.045 -37.478 1.00 53.16 ? 219 GLN o CG 1 +ATOM 45073 C CD . GLN EA 13 217 ? -23.344 16.079 -36.400 1.00 51.70 ? 219 GLN o CD 1 +ATOM 45074 O OE1 . GLN EA 13 217 ? -24.261 16.695 -35.863 1.00 55.64 ? 219 GLN o OE1 1 +ATOM 45075 N NE2 . GLN EA 13 217 ? -22.070 16.280 -36.087 1.00 49.58 ? 219 GLN o NE2 1 +ATOM 45076 N N . LEU EA 13 218 ? -21.109 14.308 -39.858 1.00 60.26 ? 220 LEU o N 1 +ATOM 45077 C CA . LEU EA 13 218 ? -19.865 13.588 -39.662 1.00 52.26 ? 220 LEU o CA 1 +ATOM 45078 C C . LEU EA 13 218 ? -19.395 13.734 -38.217 1.00 61.81 ? 220 LEU o C 1 +ATOM 45079 O O . LEU EA 13 218 ? -19.772 14.666 -37.498 1.00 55.23 ? 220 LEU o O 1 +ATOM 45080 C CB . LEU EA 13 218 ? -18.795 14.099 -40.632 1.00 60.89 ? 220 LEU o CB 1 +ATOM 45081 C CG . LEU EA 13 218 ? -19.087 13.891 -42.122 1.00 57.20 ? 220 LEU o CG 1 +ATOM 45082 C CD1 . LEU EA 13 218 ? -17.977 14.489 -42.959 1.00 49.57 ? 220 LEU o CD1 1 +ATOM 45083 C CD2 . LEU EA 13 218 ? -19.256 12.400 -42.429 1.00 54.69 ? 220 LEU o CD2 1 +ATOM 45084 N N . SER EA 13 219 ? -18.579 12.777 -37.790 1.00 55.03 ? 221 SER o N 1 +ATOM 45085 C CA . SER EA 13 219 ? -18.051 12.793 -36.441 1.00 52.38 ? 221 SER o CA 1 +ATOM 45086 C C . SER EA 13 219 ? -16.687 13.479 -36.428 1.00 54.18 ? 221 SER o C 1 +ATOM 45087 O O . SER EA 13 219 ? -16.207 14.004 -37.441 1.00 50.28 ? 221 SER o O 1 +ATOM 45088 C CB . SER EA 13 219 ? -17.982 11.371 -35.889 1.00 50.47 ? 221 SER o CB 1 +ATOM 45089 O OG . SER EA 13 219 ? -17.029 10.585 -36.580 1.00 57.79 ? 221 SER o OG 1 +ATOM 45090 N N . ASP EA 13 220 ? -16.059 13.480 -35.260 1.00 48.78 ? 222 ASP o N 1 +ATOM 45091 C CA . ASP EA 13 220 ? -14.759 14.115 -35.104 1.00 49.01 ? 222 ASP o CA 1 +ATOM 45092 C C . ASP EA 13 220 ? -13.714 13.413 -35.963 1.00 53.27 ? 222 ASP o C 1 +ATOM 45093 O O . ASP EA 13 220 ? -13.694 12.178 -36.067 1.00 54.67 ? 222 ASP o O 1 +ATOM 45094 C CB . ASP EA 13 220 ? -14.357 14.089 -33.620 1.00 60.09 ? 222 ASP o CB 1 +ATOM 45095 C CG . ASP EA 13 220 ? -12.929 14.550 -33.385 1.00 54.52 ? 222 ASP o CG 1 +ATOM 45096 O OD1 . ASP EA 13 220 ? -12.521 15.589 -33.956 1.00 58.41 ? 222 ASP o OD1 1 +ATOM 45097 O OD2 . ASP EA 13 220 ? -12.222 13.876 -32.609 1.00 65.90 ? 222 ASP o OD2 1 +ATOM 45098 N N . ASP EA 13 221 ? -12.850 14.198 -36.603 1.00 50.53 ? 223 ASP o N 1 +ATOM 45099 C CA . ASP EA 13 221 ? -11.719 13.626 -37.326 1.00 52.19 ? 223 ASP o CA 1 +ATOM 45100 C C . ASP EA 13 221 ? -10.387 13.912 -36.647 1.00 55.20 ? 223 ASP o C 1 +ATOM 45101 O O . ASP EA 13 221 ? -9.337 13.647 -37.241 1.00 51.41 ? 223 ASP o O 1 +ATOM 45102 C CB . ASP EA 13 221 ? -11.694 14.103 -38.787 1.00 54.68 ? 223 ASP o CB 1 +ATOM 45103 C CG . ASP EA 13 221 ? -11.482 15.626 -38.939 1.00 57.20 ? 223 ASP o CG 1 +ATOM 45104 O OD1 . ASP EA 13 221 ? -11.162 16.347 -37.979 1.00 58.25 ? 223 ASP o OD1 1 +ATOM 45105 O OD2 . ASP EA 13 221 ? -11.657 16.110 -40.067 1.00 72.11 ? 223 ASP o OD2 1 +ATOM 45106 N N . ASP EA 13 222 ? -10.414 14.430 -35.413 1.00 52.51 ? 224 ASP o N 1 +ATOM 45107 C CA . ASP EA 13 222 ? -9.208 14.759 -34.645 1.00 57.62 ? 224 ASP o CA 1 +ATOM 45108 C C . ASP EA 13 222 ? -8.258 15.637 -35.465 1.00 57.22 ? 224 ASP o C 1 +ATOM 45109 O O . ASP EA 13 222 ? -7.082 15.318 -35.659 1.00 50.71 ? 224 ASP o O 1 +ATOM 45110 C CB . ASP EA 13 222 ? -8.506 13.489 -34.153 1.00 64.54 ? 224 ASP o CB 1 +ATOM 45111 C CG . ASP EA 13 222 ? -7.461 13.771 -33.083 1.00 58.68 ? 224 ASP o CG 1 +ATOM 45112 O OD1 . ASP EA 13 222 ? -7.574 14.802 -32.401 1.00 65.83 ? 224 ASP o OD1 1 +ATOM 45113 O OD2 . ASP EA 13 222 ? -6.514 12.972 -32.934 1.00 67.99 ? 224 ASP o OD2 1 +ATOM 45114 N N . MET EA 13 223 ? -8.808 16.743 -35.975 1.00 58.72 ? 225 MET o N 1 +ATOM 45115 C CA . MET EA 13 223 ? -8.067 17.757 -36.748 1.00 51.53 ? 225 MET o CA 1 +ATOM 45116 C C . MET EA 13 223 ? -7.266 17.148 -37.897 1.00 52.22 ? 225 MET o C 1 +ATOM 45117 O O . MET EA 13 223 ? -6.110 17.506 -38.138 1.00 52.71 ? 225 MET o O 1 +ATOM 45118 C CB . MET EA 13 223 ? -7.172 18.584 -35.833 1.00 53.34 ? 225 MET o CB 1 +ATOM 45119 C CG . MET EA 13 223 ? -7.910 19.013 -34.578 1.00 67.93 ? 225 MET o CG 1 +ATOM 45120 S SD . MET EA 13 223 ? -7.266 20.482 -33.797 1.00 81.10 ? 225 MET o SD 1 +ATOM 45121 C CE . MET EA 13 223 ? -7.882 21.670 -35.011 1.00 65.63 ? 225 MET o CE 1 +ATOM 45122 N N . GLY EA 13 224 ? -7.896 16.227 -38.621 1.00 53.99 ? 226 GLY o N 1 +ATOM 45123 C CA . GLY EA 13 224 ? -7.293 15.650 -39.805 1.00 50.97 ? 226 GLY o CA 1 +ATOM 45124 C C . GLY EA 13 224 ? -6.470 14.403 -39.578 1.00 59.01 ? 226 GLY o C 1 +ATOM 45125 O O . GLY EA 13 224 ? -5.872 13.898 -40.530 1.00 63.05 ? 226 GLY o O 1 +ATOM 45126 N N . ALA EA 13 225 ? -6.426 13.876 -38.354 1.00 56.83 ? 227 ALA o N 1 +ATOM 45127 C CA . ALA EA 13 225 ? -5.588 12.710 -38.095 1.00 64.46 ? 227 ALA o CA 1 +ATOM 45128 C C . ALA EA 13 225 ? -6.225 11.405 -38.557 1.00 59.37 ? 227 ALA o C 1 +ATOM 45129 O O . ALA EA 13 225 ? -5.504 10.428 -38.783 1.00 64.45 ? 227 ALA o O 1 +ATOM 45130 C CB . ALA EA 13 225 ? -5.247 12.619 -36.601 1.00 53.46 ? 227 ALA o CB 1 +ATOM 45131 N N . HIS EA 13 226 ? -7.544 11.348 -38.692 1.00 56.55 ? 228 HIS o N 1 +ATOM 45132 C CA . HIS EA 13 226 ? -8.171 10.135 -39.190 1.00 53.29 ? 228 HIS o CA 1 +ATOM 45133 C C . HIS EA 13 226 ? -9.479 10.493 -39.882 1.00 58.24 ? 228 HIS o C 1 +ATOM 45134 O O . HIS EA 13 226 ? -9.917 11.642 -39.871 1.00 63.01 ? 228 HIS o O 1 +ATOM 45135 C CB . HIS EA 13 226 ? -8.388 9.119 -38.063 1.00 57.47 ? 228 HIS o CB 1 +ATOM 45136 C CG . HIS EA 13 226 ? -9.306 9.591 -36.977 1.00 60.68 ? 228 HIS o CG 1 +ATOM 45137 N ND1 . HIS EA 13 226 ? -10.679 9.601 -37.113 1.00 51.15 ? 228 HIS o ND1 1 +ATOM 45138 C CD2 . HIS EA 13 226 ? -9.045 10.044 -35.727 1.00 57.72 ? 228 HIS o CD2 1 +ATOM 45139 C CE1 . HIS EA 13 226 ? -11.223 10.039 -35.992 1.00 57.78 ? 228 HIS o CE1 1 +ATOM 45140 N NE2 . HIS EA 13 226 ? -10.254 10.321 -35.137 1.00 60.50 ? 228 HIS o NE2 1 +ATOM 45141 N N . GLU EA 13 227 ? -10.088 9.514 -40.475 1.00 59.09 ? 229 GLU o N 1 +ATOM 45142 C CA . GLU EA 13 227 ? -11.333 9.732 -41.195 1.00 63.70 ? 229 GLU o CA 1 +ATOM 45143 C C . GLU EA 13 227 ? -12.491 9.841 -40.211 1.00 55.99 ? 229 GLU o C 1 +ATOM 45144 O O . GLU EA 13 227 ? -12.503 9.151 -39.197 1.00 56.52 ? 229 GLU o O 1 +ATOM 45145 C CB . GLU EA 13 227 ? -11.609 8.585 -42.169 1.00 66.75 ? 229 GLU o CB 1 +ATOM 45146 C CG . GLU EA 13 227 ? -10.502 8.359 -43.154 1.00 91.08 ? 229 GLU o CG 1 +ATOM 45147 C CD . GLU EA 13 227 ? -10.205 9.606 -43.929 1.00 90.86 ? 229 GLU o CD 1 +ATOM 45148 O OE1 . GLU EA 13 227 ? -11.172 10.256 -44.389 1.00 101.86 ? 229 GLU o OE1 1 +ATOM 45149 O OE2 . GLU EA 13 227 ? -9.010 9.948 -44.065 1.00 122.99 ? 229 GLU o OE2 1 +ATOM 45150 N N . PRO EA 13 228 ? -13.478 10.676 -40.487 1.00 59.56 ? 230 PRO o N 1 +ATOM 45151 C CA . PRO EA 13 228 ? -14.665 10.714 -39.632 1.00 54.58 ? 230 PRO o CA 1 +ATOM 45152 C C . PRO EA 13 228 ? -15.576 9.535 -39.938 1.00 54.01 ? 230 PRO o C 1 +ATOM 45153 O O . PRO EA 13 228 ? -15.417 8.841 -40.935 1.00 56.59 ? 230 PRO o O 1 +ATOM 45154 C CB . PRO EA 13 228 ? -15.329 12.047 -40.004 1.00 55.59 ? 230 PRO o CB 1 +ATOM 45155 C CG . PRO EA 13 228 ? -14.900 12.287 -41.426 1.00 59.32 ? 230 PRO o CG 1 +ATOM 45156 C CD . PRO EA 13 228 ? -13.501 11.719 -41.528 1.00 56.52 ? 230 PRO o CD 1 +ATOM 45157 N N . HIS EA 13 229 ? -16.543 9.321 -39.057 1.00 54.04 ? 231 HIS o N 1 +ATOM 45158 C CA . HIS EA 13 229 ? -17.651 8.411 -39.321 1.00 53.82 ? 231 HIS o CA 1 +ATOM 45159 C C . HIS EA 13 229 ? -18.908 9.208 -39.647 1.00 58.25 ? 231 HIS o C 1 +ATOM 45160 O O . HIS EA 13 229 ? -19.078 10.346 -39.201 1.00 56.14 ? 231 HIS o O 1 +ATOM 45161 C CB . HIS EA 13 229 ? -17.927 7.501 -38.116 1.00 58.62 ? 231 HIS o CB 1 +ATOM 45162 C CG . HIS EA 13 229 ? -16.786 6.599 -37.767 1.00 65.74 ? 231 HIS o CG 1 +ATOM 45163 N ND1 . HIS EA 13 229 ? -15.617 7.065 -37.204 1.00 74.87 ? 231 HIS o ND1 1 +ATOM 45164 C CD2 . HIS EA 13 229 ? -16.629 5.261 -37.907 1.00 70.35 ? 231 HIS o CD2 1 +ATOM 45165 C CE1 . HIS EA 13 229 ? -14.788 6.056 -37.013 1.00 70.48 ? 231 HIS o CE1 1 +ATOM 45166 N NE2 . HIS EA 13 229 ? -15.379 4.948 -37.427 1.00 88.80 ? 231 HIS o NE2 1 +ATOM 45167 N N . GLU EA 13 230 ? -19.798 8.595 -40.413 1.00 53.25 ? 232 GLU o N 1 +ATOM 45168 C CA . GLU EA 13 230 ? -21.126 9.155 -40.620 1.00 56.66 ? 232 GLU o CA 1 +ATOM 45169 C C . GLU EA 13 230 ? -22.002 8.829 -39.427 1.00 50.26 ? 232 GLU o C 1 +ATOM 45170 O O . GLU EA 13 230 ? -22.062 7.673 -38.998 1.00 55.89 ? 232 GLU o O 1 +ATOM 45171 C CB . GLU EA 13 230 ? -21.778 8.580 -41.869 1.00 61.10 ? 232 GLU o CB 1 +ATOM 45172 C CG . GLU EA 13 230 ? -21.464 9.286 -43.142 1.00 103.76 ? 232 GLU o CG 1 +ATOM 45173 C CD . GLU EA 13 230 ? -22.176 8.640 -44.304 1.00 97.91 ? 232 GLU o CD 1 +ATOM 45174 O OE1 . GLU EA 13 230 ? -23.425 8.751 -44.364 1.00 115.54 ? 232 GLU o OE1 1 +ATOM 45175 O OE2 . GLU EA 13 230 ? -21.490 7.990 -45.119 1.00 87.38 ? 232 GLU o OE2 1 +ATOM 45176 N N . VAL EA 13 231 ? -22.707 9.832 -38.911 1.00 59.88 ? 233 VAL o N 1 +ATOM 45177 C CA . VAL EA 13 231 ? -23.573 9.653 -37.750 1.00 60.41 ? 233 VAL o CA 1 +ATOM 45178 C C . VAL EA 13 231 ? -24.993 10.055 -38.118 1.00 58.20 ? 233 VAL o C 1 +ATOM 45179 O O . VAL EA 13 231 ? -25.209 11.063 -38.796 1.00 57.92 ? 233 VAL o O 1 +ATOM 45180 C CB . VAL EA 13 231 ? -23.083 10.463 -36.533 1.00 57.67 ? 233 VAL o CB 1 +ATOM 45181 C CG1 . VAL EA 13 231 ? -23.945 10.144 -35.314 1.00 62.16 ? 233 VAL o CG1 1 +ATOM 45182 C CG2 . VAL EA 13 231 ? -21.628 10.169 -36.250 1.00 59.24 ? 233 VAL o CG2 1 +ATOM 45183 N N . LYS EA 13 232 ? -25.954 9.264 -37.665 1.00 59.03 ? 234 LYS o N 1 +ATOM 45184 C CA . LYS EA 13 232 ? -27.370 9.572 -37.775 1.00 57.19 ? 234 LYS o CA 1 +ATOM 45185 C C . LYS EA 13 232 ? -27.941 9.771 -36.378 1.00 59.48 ? 234 LYS o C 1 +ATOM 45186 O O . LYS EA 13 232 ? -27.757 8.924 -35.498 1.00 60.41 ? 234 LYS o O 1 +ATOM 45187 C CB . LYS EA 13 232 ? -28.109 8.451 -38.498 1.00 65.23 ? 234 LYS o CB 1 +ATOM 45188 C CG . LYS EA 13 232 ? -29.611 8.569 -38.435 1.00 71.92 ? 234 LYS o CG 1 +ATOM 45189 C CD . LYS EA 13 232 ? -30.207 8.457 -39.834 1.00 105.27 ? 234 LYS o CD 1 +ATOM 45190 C CE . LYS EA 13 232 ? -29.817 7.168 -40.547 1.00 79.99 ? 234 LYS o CE 1 +ATOM 45191 N NZ . LYS EA 13 232 ? -30.084 7.296 -42.009 1.00 110.78 ? 234 LYS o NZ 1 +ATOM 45192 N N . ILE EA 13 233 ? -28.633 10.885 -36.174 1.00 60.95 ? 235 ILE o N 1 +ATOM 45193 C CA . ILE EA 13 233 ? -29.158 11.248 -34.866 1.00 59.82 ? 235 ILE o CA 1 +ATOM 45194 C C . ILE EA 13 233 ? -30.668 11.366 -34.960 1.00 65.79 ? 235 ILE o C 1 +ATOM 45195 O O . ILE EA 13 233 ? -31.193 12.049 -35.845 1.00 65.94 ? 235 ILE o O 1 +ATOM 45196 C CB . ILE EA 13 233 ? -28.522 12.550 -34.350 1.00 59.05 ? 235 ILE o CB 1 +ATOM 45197 C CG1 . ILE EA 13 233 ? -27.015 12.336 -34.229 1.00 60.56 ? 235 ILE o CG1 1 +ATOM 45198 C CG2 . ILE EA 13 233 ? -29.112 12.928 -33.006 1.00 54.88 ? 235 ILE o CG2 1 +ATOM 45199 C CD1 . ILE EA 13 233 ? -26.180 13.503 -34.567 1.00 58.33 ? 235 ILE o CD1 1 +ATOM 45200 N N . GLN EA 13 234 ? -31.359 10.696 -34.054 1.00 62.40 ? 236 GLN o N 1 +ATOM 45201 C CA . GLN EA 13 234 ? -32.803 10.772 -33.956 1.00 58.87 ? 236 GLN o CA 1 +ATOM 45202 C C . GLN EA 13 234 ? -33.179 11.289 -32.577 1.00 59.84 ? 236 GLN o C 1 +ATOM 45203 O O . GLN EA 13 234 ? -32.435 11.117 -31.609 1.00 63.17 ? 236 GLN o O 1 +ATOM 45204 C CB . GLN EA 13 234 ? -33.429 9.407 -34.218 1.00 56.52 ? 236 GLN o CB 1 +ATOM 45205 C CG . GLN EA 13 234 ? -33.101 8.894 -35.607 1.00 65.41 ? 236 GLN o CG 1 +ATOM 45206 C CD . GLN EA 13 234 ? -33.439 7.430 -35.802 1.00 70.13 ? 236 GLN o CD 1 +ATOM 45207 O OE1 . GLN EA 13 234 ? -33.336 6.624 -34.876 1.00 77.10 ? 236 GLN o OE1 1 +ATOM 45208 N NE2 . GLN EA 13 234 ? -33.845 7.078 -37.013 1.00 74.97 ? 236 GLN o NE2 1 +ATOM 45209 N N . GLY EA 13 235 ? -34.329 11.943 -32.502 1.00 60.19 ? 237 GLY o N 1 +ATOM 45210 C CA . GLY EA 13 235 ? -34.774 12.496 -31.242 1.00 55.06 ? 237 GLY o CA 1 +ATOM 45211 C C . GLY EA 13 235 ? -36.082 13.235 -31.397 1.00 60.86 ? 237 GLY o C 1 +ATOM 45212 O O . GLY EA 13 235 ? -36.802 13.068 -32.385 1.00 56.44 ? 237 GLY o O 1 +ATOM 45213 N N . VAL EA 13 236 ? -36.378 14.055 -30.396 1.00 59.31 ? 238 VAL o N 1 +ATOM 45214 C CA . VAL EA 13 236 ? -37.602 14.837 -30.337 1.00 58.70 ? 238 VAL o CA 1 +ATOM 45215 C C . VAL EA 13 236 ? -37.221 16.305 -30.293 1.00 63.68 ? 238 VAL o C 1 +ATOM 45216 O O . VAL EA 13 236 ? -36.122 16.673 -29.863 1.00 62.74 ? 238 VAL o O 1 +ATOM 45217 C CB . VAL EA 13 236 ? -38.468 14.457 -29.119 1.00 62.08 ? 238 VAL o CB 1 +ATOM 45218 C CG1 . VAL EA 13 236 ? -38.906 12.997 -29.209 1.00 57.07 ? 238 VAL o CG1 1 +ATOM 45219 C CG2 . VAL EA 13 236 ? -37.696 14.707 -27.815 1.00 66.93 ? 238 VAL o CG2 1 +ATOM 45220 N N . PHE EA 13 237 ? -38.131 17.151 -30.760 1.00 55.52 ? 239 PHE o N 1 +ATOM 45221 C CA . PHE EA 13 237 ? -37.908 18.585 -30.715 1.00 58.37 ? 239 PHE o CA 1 +ATOM 45222 C C . PHE EA 13 237 ? -39.160 19.290 -30.206 1.00 57.41 ? 239 PHE o C 1 +ATOM 45223 O O . PHE EA 13 237 ? -40.270 18.754 -30.235 1.00 61.99 ? 239 PHE o O 1 +ATOM 45224 C CB . PHE EA 13 237 ? -37.480 19.155 -32.102 1.00 65.88 ? 239 PHE o CB 1 +ATOM 45225 C CG . PHE EA 13 237 ? -38.619 19.358 -33.061 1.00 62.59 ? 239 PHE o CG 1 +ATOM 45226 C CD1 . PHE EA 13 237 ? -39.319 20.560 -33.083 1.00 59.86 ? 239 PHE o CD1 1 +ATOM 45227 C CD2 . PHE EA 13 237 ? -38.995 18.344 -33.938 1.00 62.74 ? 239 PHE o CD2 1 +ATOM 45228 C CE1 . PHE EA 13 237 ? -40.380 20.740 -33.951 1.00 72.06 ? 239 PHE o CE1 1 +ATOM 45229 C CE2 . PHE EA 13 237 ? -40.048 18.523 -34.820 1.00 69.40 ? 239 PHE o CE2 1 +ATOM 45230 C CZ . PHE EA 13 237 ? -40.742 19.725 -34.828 1.00 64.36 ? 239 PHE o CZ 1 +ATOM 45231 N N . TYR EA 13 238 ? -38.952 20.514 -29.746 1.00 62.93 ? 240 TYR o N 1 +ATOM 45232 C CA . TYR EA 13 238 ? -40.008 21.421 -29.329 1.00 65.05 ? 240 TYR o CA 1 +ATOM 45233 C C . TYR EA 13 238 ? -39.668 22.791 -29.888 1.00 59.33 ? 240 TYR o C 1 +ATOM 45234 O O . TYR EA 13 238 ? -38.492 23.161 -29.938 1.00 64.70 ? 240 TYR o O 1 +ATOM 45235 C CB . TYR EA 13 238 ? -40.127 21.462 -27.791 1.00 58.01 ? 240 TYR o CB 1 +ATOM 45236 C CG . TYR EA 13 238 ? -40.849 22.667 -27.233 1.00 59.08 ? 240 TYR o CG 1 +ATOM 45237 C CD1 . TYR EA 13 238 ? -42.184 22.590 -26.864 1.00 65.70 ? 240 TYR o CD1 1 +ATOM 45238 C CD2 . TYR EA 13 238 ? -40.190 23.881 -27.064 1.00 65.64 ? 240 TYR o CD2 1 +ATOM 45239 C CE1 . TYR EA 13 238 ? -42.845 23.700 -26.347 1.00 67.98 ? 240 TYR o CE1 1 +ATOM 45240 C CE2 . TYR EA 13 238 ? -40.843 24.989 -26.563 1.00 72.15 ? 240 TYR o CE2 1 +ATOM 45241 C CZ . TYR EA 13 238 ? -42.167 24.887 -26.201 1.00 62.46 ? 240 TYR o CZ 1 +ATOM 45242 O OH . TYR EA 13 238 ? -42.802 25.986 -25.694 1.00 71.10 ? 240 TYR o OH 1 +ATOM 45243 N N . ALA EA 13 239 ? -40.687 23.544 -30.305 1.00 69.22 ? 241 ALA o N 1 +ATOM 45244 C CA . ALA EA 13 239 ? -40.474 24.927 -30.725 1.00 78.07 ? 241 ALA o CA 1 +ATOM 45245 C C . ALA EA 13 239 ? -41.685 25.779 -30.352 1.00 61.43 ? 241 ALA o C 1 +ATOM 45246 O O . ALA EA 13 239 ? -42.819 25.294 -30.300 1.00 70.53 ? 241 ALA o O 1 +ATOM 45247 C CB . ALA EA 13 239 ? -40.187 25.024 -32.239 1.00 71.81 ? 241 ALA o CB 1 +ATOM 45248 N N . SER EA 13 240 ? -41.434 27.052 -30.081 1.00 61.98 ? 242 SER o N 1 +ATOM 45249 C CA . SER EA 13 240 ? -42.504 28.018 -29.856 1.00 75.53 ? 242 SER o CA 1 +ATOM 45250 C C . SER EA 13 240 ? -42.386 29.127 -30.896 1.00 80.20 ? 242 SER o C 1 +ATOM 45251 O O . SER EA 13 240 ? -41.351 29.802 -30.982 1.00 65.10 ? 242 SER o O 1 +ATOM 45252 C CB . SER EA 13 240 ? -42.470 28.578 -28.428 1.00 76.77 ? 242 SER o CB 1 +ATOM 45253 O OG . SER EA 13 240 ? -41.245 29.225 -28.134 1.00 82.30 ? 242 SER o OG 1 +ATOM 45254 N N . ILE EA 13 241 ? -43.438 29.284 -31.711 1.00 83.87 ? 243 ILE o N 1 +ATOM 45255 C CA . ILE EA 13 241 ? -43.527 30.349 -32.703 1.00 82.26 ? 243 ILE o CA 1 +ATOM 45256 C C . ILE EA 13 241 ? -44.184 31.559 -32.054 1.00 84.86 ? 243 ILE o C 1 +ATOM 45257 O O . ILE EA 13 241 ? -45.141 31.421 -31.280 1.00 87.09 ? 243 ILE o O 1 +ATOM 45258 C CB . ILE EA 13 241 ? -44.326 29.890 -33.938 1.00 83.34 ? 243 ILE o CB 1 +ATOM 45259 C CG1 . ILE EA 13 241 ? -43.841 28.526 -34.444 1.00 89.15 ? 243 ILE o CG1 1 +ATOM 45260 C CG2 . ILE EA 13 241 ? -44.237 30.919 -35.049 1.00 81.98 ? 243 ILE o CG2 1 +ATOM 45261 C CD1 . ILE EA 13 241 ? -42.405 28.522 -34.896 1.00 90.31 ? 243 ILE o CD1 1 +ATOM 45262 N N . GLU EA 13 242 ? -43.680 32.749 -32.362 1.00 92.77 ? 244 GLU o N 1 +ATOM 45263 C CA . GLU EA 13 242 ? -44.344 33.980 -31.958 1.00 95.17 ? 244 GLU o CA 1 +ATOM 45264 C C . GLU EA 13 242 ? -44.160 35.027 -33.046 1.00 93.11 ? 244 GLU o C 1 +ATOM 45265 O O . GLU EA 13 242 ? -43.130 35.043 -33.736 1.00 85.17 ? 244 GLU o O 1 +ATOM 45266 C CB . GLU EA 13 242 ? -43.813 34.522 -30.623 1.00 79.50 ? 244 GLU o CB 1 +ATOM 45267 C CG . GLU EA 13 242 ? -42.429 35.152 -30.683 1.00 97.48 ? 244 GLU o CG 1 +ATOM 45268 C CD . GLU EA 13 242 ? -41.921 35.526 -29.305 1.00 89.30 ? 244 GLU o CD 1 +ATOM 45269 O OE1 . GLU EA 13 242 ? -42.510 35.041 -28.314 1.00 93.42 ? 244 GLU o OE1 1 +ATOM 45270 O OE2 . GLU EA 13 242 ? -40.940 36.294 -29.210 1.00 112.01 ? 244 GLU o OE2 1 +ATOM 45271 N N . PRO EA 13 243 ? -45.144 35.901 -33.232 1.00 84.55 ? 245 PRO o N 1 +ATOM 45272 C CA . PRO EA 13 243 ? -45.015 36.950 -34.246 1.00 77.53 ? 245 PRO o CA 1 +ATOM 45273 C C . PRO EA 13 243 ? -44.109 38.057 -33.746 1.00 78.52 ? 245 PRO o C 1 +ATOM 45274 O O . PRO EA 13 243 ? -44.108 38.403 -32.563 1.00 95.38 ? 245 PRO o O 1 +ATOM 45275 C CB . PRO EA 13 243 ? -46.453 37.431 -34.436 1.00 77.43 ? 245 PRO o CB 1 +ATOM 45276 C CG . PRO EA 13 243 ? -47.108 37.141 -33.130 1.00 80.90 ? 245 PRO o CG 1 +ATOM 45277 C CD . PRO EA 13 243 ? -46.441 35.944 -32.541 1.00 82.54 ? 245 PRO o CD 1 +ATOM 45278 N N . ALA EA 13 244 ? -43.305 38.588 -34.656 1.00 87.31 ? 246 ALA o N 1 +ATOM 45279 C CA . ALA EA 13 244 ? -42.276 39.546 -34.282 1.00 94.45 ? 246 ALA o CA 1 +ATOM 45280 C C . ALA EA 13 244 ? -42.756 40.975 -34.493 1.00 133.95 ? 246 ALA o C 1 +ATOM 45281 O O . ALA EA 13 244 ? -43.417 41.282 -35.491 1.00 136.67 ? 246 ALA o O 1 +ATOM 45282 C CB . ALA EA 13 244 ? -41.006 39.288 -35.072 1.00 101.27 ? 246 ALA o CB 1 +ATOM 45283 O OXT . ALA EA 13 244 ? -42.493 41.854 -33.666 1.00 143.01 ? 246 ALA o OXT 1 +HETATM 45284 N N . FME FA 14 1 ? 3.326 -9.200 -25.247 1.00 44.96 ? 1 FME t N 1 +HETATM 45285 C CN . FME FA 14 1 ? 2.099 -8.949 -24.795 1.00 51.14 ? 1 FME t CN 1 +HETATM 45286 O O1 . FME FA 14 1 ? 1.789 -9.171 -23.628 1.00 51.12 ? 1 FME t O1 1 +HETATM 45287 C CA . FME FA 14 1 ? 4.264 -9.904 -24.401 1.00 52.10 ? 1 FME t CA 1 +HETATM 45288 C CB . FME FA 14 1 ? 5.476 -10.314 -25.233 1.00 48.24 ? 1 FME t CB 1 +HETATM 45289 C CG . FME FA 14 1 ? 6.480 -9.200 -25.520 1.00 58.62 ? 1 FME t CG 1 +HETATM 45290 S SD . FME FA 14 1 ? 7.676 -9.783 -26.691 1.00 75.64 ? 1 FME t SD 1 +HETATM 45291 C CE . FME FA 14 1 ? 8.895 -8.518 -26.595 1.00 65.00 ? 1 FME t CE 1 +HETATM 45292 C C . FME FA 14 1 ? 4.668 -9.089 -23.189 1.00 46.00 ? 1 FME t C 1 +HETATM 45293 O O . FME FA 14 1 ? 4.913 -9.694 -22.114 1.00 49.05 ? 1 FME t O 1 +ATOM 45294 N N . GLU FA 14 2 ? 4.709 -7.756 -23.297 1.00 47.59 ? 2 GLU t N 1 +ATOM 45295 C CA . GLU FA 14 2 ? 5.131 -6.943 -22.155 1.00 44.45 ? 2 GLU t CA 1 +ATOM 45296 C C . GLU FA 14 2 ? 4.035 -6.943 -21.071 1.00 45.19 ? 2 GLU t C 1 +ATOM 45297 O O . GLU FA 14 2 ? 4.347 -7.044 -19.880 1.00 44.49 ? 2 GLU t O 1 +ATOM 45298 C CB . GLU FA 14 2 ? 5.506 -5.503 -22.569 1.00 45.41 ? 2 GLU t CB 1 +ATOM 45299 C CG . GLU FA 14 2 ? 4.359 -4.633 -23.020 1.00 47.88 ? 2 GLU t CG 1 +ATOM 45300 C CD . GLU FA 14 2 ? 4.075 -4.783 -24.518 1.00 56.71 ? 2 GLU t CD 1 +ATOM 45301 O OE1 . GLU FA 14 2 ? 3.460 -3.879 -25.106 1.00 68.90 ? 2 GLU t OE1 1 +ATOM 45302 O OE2 . GLU FA 14 2 ? 4.478 -5.798 -25.112 1.00 56.45 ? 2 GLU t OE2 1 +ATOM 45303 N N . THR FA 14 3 ? 2.763 -6.859 -21.483 1.00 42.61 ? 3 THR t N 1 +ATOM 45304 C CA . THR FA 14 3 ? 1.679 -6.895 -20.500 1.00 40.67 ? 3 THR t CA 1 +ATOM 45305 C C . THR FA 14 3 ? 1.677 -8.220 -19.747 1.00 44.89 ? 3 THR t C 1 +ATOM 45306 O O . THR FA 14 3 ? 1.547 -8.243 -18.514 1.00 47.06 ? 3 THR t O 1 +ATOM 45307 C CB . THR FA 14 3 ? 0.317 -6.664 -21.178 1.00 47.70 ? 3 THR t CB 1 +ATOM 45308 O OG1 . THR FA 14 3 ? 0.306 -5.419 -21.879 1.00 51.09 ? 3 THR t OG1 1 +ATOM 45309 C CG2 . THR FA 14 3 ? -0.809 -6.653 -20.160 1.00 50.53 ? 3 THR t CG2 1 +ATOM 45310 N N . ILE FA 14 4 ? 1.840 -9.338 -20.472 1.00 45.92 ? 4 ILE t N 1 +ATOM 45311 C CA . ILE FA 14 4 ? 1.926 -10.645 -19.822 1.00 43.07 ? 4 ILE t CA 1 +ATOM 45312 C C . ILE FA 14 4 ? 3.088 -10.671 -18.843 1.00 40.59 ? 4 ILE t C 1 +ATOM 45313 O O . ILE FA 14 4 ? 2.968 -11.171 -17.715 1.00 52.53 ? 4 ILE t O 1 +ATOM 45314 C CB . ILE FA 14 4 ? 2.059 -11.767 -20.874 1.00 50.74 ? 4 ILE t CB 1 +ATOM 45315 C CG1 . ILE FA 14 4 ? 0.776 -11.923 -21.703 1.00 43.34 ? 4 ILE t CG1 1 +ATOM 45316 C CG2 . ILE FA 14 4 ? 2.424 -13.098 -20.197 1.00 46.66 ? 4 ILE t CG2 1 +ATOM 45317 C CD1 . ILE FA 14 4 ? 1.036 -12.566 -23.076 1.00 49.03 ? 4 ILE t CD1 1 +ATOM 45318 N N . THR FA 14 5 ? 4.242 -10.157 -19.264 1.00 53.46 ? 5 THR t N 1 +ATOM 45319 C CA . THR FA 14 5 ? 5.395 -10.127 -18.366 1.00 47.20 ? 5 THR t CA 1 +ATOM 45320 C C . THR FA 14 5 ? 5.076 -9.364 -17.086 1.00 48.31 ? 5 THR t C 1 +ATOM 45321 O O . THR FA 14 5 ? 5.368 -9.840 -15.984 1.00 48.04 ? 5 THR t O 1 +ATOM 45322 C CB . THR FA 14 5 ? 6.602 -9.515 -19.074 1.00 46.57 ? 5 THR t CB 1 +ATOM 45323 O OG1 . THR FA 14 5 ? 6.939 -10.314 -20.211 1.00 47.42 ? 5 THR t OG1 1 +ATOM 45324 C CG2 . THR FA 14 5 ? 7.800 -9.428 -18.134 1.00 49.62 ? 5 THR t CG2 1 +ATOM 45325 N N . TYR FA 14 6 ? 4.483 -8.171 -17.209 1.00 45.38 ? 6 TYR t N 1 +ATOM 45326 C CA . TYR FA 14 6 ? 4.189 -7.373 -16.017 1.00 44.53 ? 6 TYR t CA 1 +ATOM 45327 C C . TYR FA 14 6 ? 3.267 -8.139 -15.069 1.00 47.21 ? 6 TYR t C 1 +ATOM 45328 O O . TYR FA 14 6 ? 3.525 -8.229 -13.859 1.00 48.15 ? 6 TYR t O 1 +ATOM 45329 C CB . TYR FA 14 6 ? 3.565 -6.022 -16.405 1.00 46.86 ? 6 TYR t CB 1 +ATOM 45330 C CG . TYR FA 14 6 ? 4.455 -5.152 -17.259 1.00 48.01 ? 6 TYR t CG 1 +ATOM 45331 C CD1 . TYR FA 14 6 ? 5.818 -5.092 -17.017 1.00 43.91 ? 6 TYR t CD1 1 +ATOM 45332 C CD2 . TYR FA 14 6 ? 3.934 -4.409 -18.317 1.00 42.64 ? 6 TYR t CD2 1 +ATOM 45333 C CE1 . TYR FA 14 6 ? 6.641 -4.320 -17.785 1.00 44.53 ? 6 TYR t CE1 1 +ATOM 45334 C CE2 . TYR FA 14 6 ? 4.762 -3.617 -19.119 1.00 46.77 ? 6 TYR t CE2 1 +ATOM 45335 C CZ . TYR FA 14 6 ? 6.118 -3.580 -18.834 1.00 48.62 ? 6 TYR t CZ 1 +ATOM 45336 O OH . TYR FA 14 6 ? 6.976 -2.836 -19.578 1.00 46.25 ? 6 TYR t OH 1 +ATOM 45337 N N . VAL FA 14 7 ? 2.198 -8.717 -15.611 1.00 46.55 ? 7 VAL t N 1 +ATOM 45338 C CA . VAL FA 14 7 ? 1.217 -9.385 -14.766 1.00 49.12 ? 7 VAL t CA 1 +ATOM 45339 C C . VAL FA 14 7 ? 1.791 -10.675 -14.187 1.00 47.90 ? 7 VAL t C 1 +ATOM 45340 O O . VAL FA 14 7 ? 1.498 -11.036 -13.043 1.00 43.47 ? 7 VAL t O 1 +ATOM 45341 C CB . VAL FA 14 7 ? -0.071 -9.617 -15.579 1.00 56.58 ? 7 VAL t CB 1 +ATOM 45342 C CG1 . VAL FA 14 7 ? -1.083 -10.449 -14.794 1.00 47.81 ? 7 VAL t CG1 1 +ATOM 45343 C CG2 . VAL FA 14 7 ? -0.658 -8.251 -15.967 1.00 47.07 ? 7 VAL t CG2 1 +ATOM 45344 N N . PHE FA 14 8 ? 2.632 -11.367 -14.951 1.00 47.32 ? 8 PHE t N 1 +ATOM 45345 C CA . PHE FA 14 8 ? 3.294 -12.562 -14.447 1.00 42.35 ? 8 PHE t CA 1 +ATOM 45346 C C . PHE FA 14 8 ? 4.117 -12.256 -13.203 1.00 47.83 ? 8 PHE t C 1 +ATOM 45347 O O . PHE FA 14 8 ? 3.993 -12.942 -12.177 1.00 54.08 ? 8 PHE t O 1 +ATOM 45348 C CB . PHE FA 14 8 ? 4.179 -13.159 -15.535 1.00 40.24 ? 8 PHE t CB 1 +ATOM 45349 C CG . PHE FA 14 8 ? 5.035 -14.269 -15.055 1.00 52.28 ? 8 PHE t CG 1 +ATOM 45350 C CD1 . PHE FA 14 8 ? 4.482 -15.505 -14.779 1.00 48.57 ? 8 PHE t CD1 1 +ATOM 45351 C CD2 . PHE FA 14 8 ? 6.392 -14.087 -14.870 1.00 54.05 ? 8 PHE t CD2 1 +ATOM 45352 C CE1 . PHE FA 14 8 ? 5.273 -16.549 -14.330 1.00 57.78 ? 8 PHE t CE1 1 +ATOM 45353 C CE2 . PHE FA 14 8 ? 7.183 -15.127 -14.410 1.00 56.07 ? 8 PHE t CE2 1 +ATOM 45354 C CZ . PHE FA 14 8 ? 6.617 -16.356 -14.137 1.00 59.19 ? 8 PHE t CZ 1 +ATOM 45355 N N . ILE FA 14 9 ? 4.967 -11.228 -13.272 1.00 48.63 ? 9 ILE t N 1 +ATOM 45356 C CA . ILE FA 14 9 ? 5.820 -10.887 -12.129 1.00 47.59 ? 9 ILE t CA 1 +ATOM 45357 C C . ILE FA 14 9 ? 4.969 -10.526 -10.914 1.00 48.38 ? 9 ILE t C 1 +ATOM 45358 O O . ILE FA 14 9 ? 5.220 -10.994 -9.800 1.00 47.75 ? 9 ILE t O 1 +ATOM 45359 C CB . ILE FA 14 9 ? 6.784 -9.745 -12.501 1.00 51.38 ? 9 ILE t CB 1 +ATOM 45360 C CG1 . ILE FA 14 9 ? 7.782 -10.206 -13.580 1.00 44.64 ? 9 ILE t CG1 1 +ATOM 45361 C CG2 . ILE FA 14 9 ? 7.511 -9.239 -11.249 1.00 44.32 ? 9 ILE t CG2 1 +ATOM 45362 C CD1 . ILE FA 14 9 ? 8.659 -9.063 -14.084 1.00 51.15 ? 9 ILE t CD1 1 +ATOM 45363 N N . PHE FA 14 10 ? 3.952 -9.684 -11.117 1.00 46.36 ? 10 PHE t N 1 +ATOM 45364 C CA . PHE FA 14 10 ? 3.018 -9.328 -10.055 1.00 45.12 ? 10 PHE t CA 1 +ATOM 45365 C C . PHE FA 14 10 ? 2.398 -10.562 -9.408 1.00 49.65 ? 10 PHE t C 1 +ATOM 45366 O O . PHE FA 14 10 ? 2.318 -10.665 -8.174 1.00 46.79 ? 10 PHE t O 1 +ATOM 45367 C CB . PHE FA 14 10 ? 1.928 -8.413 -10.628 1.00 45.46 ? 10 PHE t CB 1 +ATOM 45368 C CG . PHE FA 14 10 ? 0.848 -8.039 -9.634 1.00 47.02 ? 10 PHE t CG 1 +ATOM 45369 C CD1 . PHE FA 14 10 ? 1.081 -7.092 -8.651 1.00 57.68 ? 10 PHE t CD1 1 +ATOM 45370 C CD2 . PHE FA 14 10 ? -0.395 -8.649 -9.680 1.00 53.06 ? 10 PHE t CD2 1 +ATOM 45371 C CE1 . PHE FA 14 10 ? 0.095 -6.749 -7.738 1.00 56.78 ? 10 PHE t CE1 1 +ATOM 45372 C CE2 . PHE FA 14 10 ? -1.387 -8.307 -8.779 1.00 55.04 ? 10 PHE t CE2 1 +ATOM 45373 C CZ . PHE FA 14 10 ? -1.144 -7.355 -7.807 1.00 52.58 ? 10 PHE t CZ 1 +ATOM 45374 N N . ALA FA 14 11 ? 1.937 -11.507 -10.231 1.00 45.83 ? 11 ALA t N 1 +ATOM 45375 C CA . ALA FA 14 11 ? 1.253 -12.685 -9.704 1.00 44.61 ? 11 ALA t CA 1 +ATOM 45376 C C . ALA FA 14 11 ? 2.205 -13.561 -8.909 1.00 51.72 ? 11 ALA t C 1 +ATOM 45377 O O . ALA FA 14 11 ? 1.804 -14.175 -7.908 1.00 53.19 ? 11 ALA t O 1 +ATOM 45378 C CB . ALA FA 14 11 ? 0.626 -13.483 -10.847 1.00 44.49 ? 11 ALA t CB 1 +ATOM 45379 N N . CYS FA 14 12 ? 3.466 -13.648 -9.341 1.00 43.72 ? 12 CYS t N 1 +ATOM 45380 C CA . CYS FA 14 12 ? 4.446 -14.390 -8.557 1.00 48.00 ? 12 CYS t CA 1 +ATOM 45381 C C . CYS FA 14 12 ? 4.625 -13.758 -7.182 1.00 55.87 ? 12 CYS t C 1 +ATOM 45382 O O . CYS FA 14 12 ? 4.763 -14.470 -6.180 1.00 51.07 ? 12 CYS t O 1 +ATOM 45383 C CB . CYS FA 14 12 ? 5.789 -14.462 -9.284 1.00 44.03 ? 12 CYS t CB 1 +ATOM 45384 S SG . CYS FA 14 12 ? 5.824 -15.558 -10.681 1.00 48.01 ? 12 CYS t SG 1 +ATOM 45385 N N . ILE FA 14 13 ? 4.586 -12.423 -7.112 1.00 44.18 ? 13 ILE t N 1 +ATOM 45386 C CA . ILE FA 14 13 ? 4.790 -11.745 -5.838 1.00 46.67 ? 13 ILE t CA 1 +ATOM 45387 C C . ILE FA 14 13 ? 3.642 -12.036 -4.870 1.00 44.55 ? 13 ILE t C 1 +ATOM 45388 O O . ILE FA 14 13 ? 3.864 -12.224 -3.665 1.00 49.94 ? 13 ILE t O 1 +ATOM 45389 C CB . ILE FA 14 13 ? 4.978 -10.232 -6.058 1.00 43.94 ? 13 ILE t CB 1 +ATOM 45390 C CG1 . ILE FA 14 13 ? 6.327 -9.934 -6.702 1.00 42.29 ? 13 ILE t CG1 1 +ATOM 45391 C CG2 . ILE FA 14 13 ? 4.831 -9.460 -4.716 1.00 45.00 ? 13 ILE t CG2 1 +ATOM 45392 C CD1 . ILE FA 14 13 ? 6.418 -8.465 -7.226 1.00 44.09 ? 13 ILE t CD1 1 +ATOM 45393 N N . ILE FA 14 14 ? 2.402 -12.055 -5.374 1.00 48.60 ? 14 ILE t N 1 +ATOM 45394 C CA . ILE FA 14 14 ? 1.244 -12.350 -4.531 1.00 52.40 ? 14 ILE t CA 1 +ATOM 45395 C C . ILE FA 14 14 ? 1.330 -13.784 -4.003 1.00 55.72 ? 14 ILE t C 1 +ATOM 45396 O O . ILE FA 14 14 ? 1.037 -14.053 -2.830 1.00 53.76 ? 14 ILE t O 1 +ATOM 45397 C CB . ILE FA 14 14 ? -0.068 -12.123 -5.311 1.00 52.23 ? 14 ILE t CB 1 +ATOM 45398 C CG1 . ILE FA 14 14 ? -0.156 -10.705 -5.891 1.00 50.06 ? 14 ILE t CG1 1 +ATOM 45399 C CG2 . ILE FA 14 14 ? -1.263 -12.424 -4.437 1.00 60.42 ? 14 ILE t CG2 1 +ATOM 45400 C CD1 . ILE FA 14 14 ? -0.059 -9.567 -4.876 1.00 43.51 ? 14 ILE t CD1 1 +ATOM 45401 N N . ALA FA 14 15 ? 1.740 -14.717 -4.867 1.00 44.85 ? 15 ALA t N 1 +ATOM 45402 C CA . ALA FA 14 15 ? 1.981 -16.089 -4.448 1.00 46.84 ? 15 ALA t CA 1 +ATOM 45403 C C . ALA FA 14 15 ? 3.038 -16.150 -3.353 1.00 53.48 ? 15 ALA t C 1 +ATOM 45404 O O . ALA FA 14 15 ? 2.930 -16.952 -2.415 1.00 49.25 ? 15 ALA t O 1 +ATOM 45405 C CB . ALA FA 14 15 ? 2.416 -16.932 -5.648 1.00 42.50 ? 15 ALA t CB 1 +ATOM 45406 N N . LEU FA 14 16 ? 4.082 -15.333 -3.476 1.00 44.54 ? 16 LEU t N 1 +ATOM 45407 C CA . LEU FA 14 16 ? 5.153 -15.351 -2.498 1.00 48.42 ? 16 LEU t CA 1 +ATOM 45408 C C . LEU FA 14 16 ? 4.654 -14.852 -1.140 1.00 50.58 ? 16 LEU t C 1 +ATOM 45409 O O . LEU FA 14 16 ? 5.005 -15.423 -0.099 1.00 49.40 ? 16 LEU t O 1 +ATOM 45410 C CB . LEU FA 14 16 ? 6.338 -14.527 -3.018 1.00 45.63 ? 16 LEU t CB 1 +ATOM 45411 C CG . LEU FA 14 16 ? 7.484 -14.351 -2.011 1.00 62.83 ? 16 LEU t CG 1 +ATOM 45412 C CD1 . LEU FA 14 16 ? 8.065 -15.697 -1.629 1.00 57.32 ? 16 LEU t CD1 1 +ATOM 45413 C CD2 . LEU FA 14 16 ? 8.577 -13.465 -2.533 1.00 61.41 ? 16 LEU t CD2 1 +ATOM 45414 N N . PHE FA 14 17 ? 3.820 -13.803 -1.140 1.00 45.32 ? 17 PHE t N 1 +ATOM 45415 C CA . PHE FA 14 17 ? 3.127 -13.377 0.072 1.00 49.77 ? 17 PHE t CA 1 +ATOM 45416 C C . PHE FA 14 17 ? 2.455 -14.566 0.751 1.00 55.91 ? 17 PHE t C 1 +ATOM 45417 O O . PHE FA 14 17 ? 2.526 -14.715 1.980 1.00 55.00 ? 17 PHE t O 1 +ATOM 45418 C CB . PHE FA 14 17 ? 2.058 -12.314 -0.243 1.00 43.91 ? 17 PHE t CB 1 +ATOM 45419 C CG . PHE FA 14 17 ? 2.598 -10.953 -0.682 1.00 48.64 ? 17 PHE t CG 1 +ATOM 45420 C CD1 . PHE FA 14 17 ? 3.963 -10.673 -0.707 1.00 48.13 ? 17 PHE t CD1 1 +ATOM 45421 C CD2 . PHE FA 14 17 ? 1.707 -9.945 -1.040 1.00 43.80 ? 17 PHE t CD2 1 +ATOM 45422 C CE1 . PHE FA 14 17 ? 4.429 -9.403 -1.093 1.00 48.72 ? 17 PHE t CE1 1 +ATOM 45423 C CE2 . PHE FA 14 17 ? 2.160 -8.676 -1.439 1.00 48.67 ? 17 PHE t CE2 1 +ATOM 45424 C CZ . PHE FA 14 17 ? 3.528 -8.407 -1.464 1.00 47.39 ? 17 PHE t CZ 1 +ATOM 45425 N N . PHE FA 14 18 ? 1.784 -15.412 -0.040 1.00 51.47 ? 18 PHE t N 1 +ATOM 45426 C CA . PHE FA 14 18 ? 1.034 -16.532 0.519 1.00 49.66 ? 18 PHE t CA 1 +ATOM 45427 C C . PHE FA 14 18 ? 1.956 -17.483 1.271 1.00 55.74 ? 18 PHE t C 1 +ATOM 45428 O O . PHE FA 14 18 ? 1.671 -17.871 2.410 1.00 48.54 ? 18 PHE t O 1 +ATOM 45429 C CB . PHE FA 14 18 ? 0.277 -17.267 -0.596 1.00 49.70 ? 18 PHE t CB 1 +ATOM 45430 C CG . PHE FA 14 18 ? -0.506 -18.446 -0.115 1.00 51.32 ? 18 PHE t CG 1 +ATOM 45431 C CD1 . PHE FA 14 18 ? -1.759 -18.273 0.465 1.00 64.06 ? 18 PHE t CD1 1 +ATOM 45432 C CD2 . PHE FA 14 18 ? 0.015 -19.721 -0.198 1.00 59.75 ? 18 PHE t CD2 1 +ATOM 45433 C CE1 . PHE FA 14 18 ? -2.477 -19.354 0.936 1.00 56.42 ? 18 PHE t CE1 1 +ATOM 45434 C CE2 . PHE FA 14 18 ? -0.706 -20.817 0.274 1.00 56.47 ? 18 PHE t CE2 1 +ATOM 45435 C CZ . PHE FA 14 18 ? -1.953 -20.627 0.831 1.00 50.47 ? 18 PHE t CZ 1 +ATOM 45436 N N . PHE FA 14 19 ? 3.079 -17.858 0.650 1.00 46.28 ? 19 PHE t N 1 +ATOM 45437 C CA . PHE FA 14 19 ? 3.977 -18.811 1.292 1.00 47.27 ? 19 PHE t CA 1 +ATOM 45438 C C . PHE FA 14 19 ? 4.720 -18.187 2.465 1.00 50.05 ? 19 PHE t C 1 +ATOM 45439 O O . PHE FA 14 19 ? 4.970 -18.864 3.472 1.00 51.46 ? 19 PHE t O 1 +ATOM 45440 C CB . PHE FA 14 19 ? 4.942 -19.377 0.259 1.00 55.02 ? 19 PHE t CB 1 +ATOM 45441 C CG . PHE FA 14 19 ? 4.274 -20.296 -0.699 1.00 54.77 ? 19 PHE t CG 1 +ATOM 45442 C CD1 . PHE FA 14 19 ? 3.876 -21.558 -0.283 1.00 54.38 ? 19 PHE t CD1 1 +ATOM 45443 C CD2 . PHE FA 14 19 ? 3.971 -19.882 -1.997 1.00 58.47 ? 19 PHE t CD2 1 +ATOM 45444 C CE1 . PHE FA 14 19 ? 3.218 -22.408 -1.155 1.00 64.70 ? 19 PHE t CE1 1 +ATOM 45445 C CE2 . PHE FA 14 19 ? 3.318 -20.730 -2.872 1.00 56.01 ? 19 PHE t CE2 1 +ATOM 45446 C CZ . PHE FA 14 19 ? 2.944 -21.989 -2.459 1.00 57.69 ? 19 PHE t CZ 1 +ATOM 45447 N N . ALA FA 14 20 ? 5.081 -16.902 2.357 1.00 45.31 ? 20 ALA t N 1 +ATOM 45448 C CA . ALA FA 14 20 ? 5.826 -16.246 3.425 1.00 50.71 ? 20 ALA t CA 1 +ATOM 45449 C C . ALA FA 14 20 ? 4.992 -16.115 4.691 1.00 54.10 ? 20 ALA t C 1 +ATOM 45450 O O . ALA FA 14 20 ? 5.538 -16.128 5.797 1.00 50.27 ? 20 ALA t O 1 +ATOM 45451 C CB . ALA FA 14 20 ? 6.313 -14.867 2.964 1.00 42.24 ? 20 ALA t CB 1 +ATOM 45452 N N . ILE FA 14 21 ? 3.681 -15.974 4.557 1.00 48.13 ? 21 ILE t N 1 +ATOM 45453 C CA . ILE FA 14 21 ? 2.808 -15.866 5.722 1.00 49.41 ? 21 ILE t CA 1 +ATOM 45454 C C . ILE FA 14 21 ? 2.409 -17.238 6.265 1.00 57.95 ? 21 ILE t C 1 +ATOM 45455 O O . ILE FA 14 21 ? 2.596 -17.526 7.450 1.00 54.95 ? 21 ILE t O 1 +ATOM 45456 C CB . ILE FA 14 21 ? 1.568 -15.013 5.375 1.00 46.08 ? 21 ILE t CB 1 +ATOM 45457 C CG1 . ILE FA 14 21 ? 1.969 -13.546 5.206 1.00 48.39 ? 21 ILE t CG1 1 +ATOM 45458 C CG2 . ILE FA 14 21 ? 0.508 -15.175 6.457 1.00 50.79 ? 21 ILE t CG2 1 +ATOM 45459 C CD1 . ILE FA 14 21 ? 0.860 -12.655 4.668 1.00 53.44 ? 21 ILE t CD1 1 +ATOM 45460 N N . PHE FA 14 22 ? 1.848 -18.112 5.422 1.00 47.29 ? 22 PHE t N 1 +ATOM 45461 C CA . PHE FA 14 22 ? 1.304 -19.366 5.921 1.00 56.29 ? 22 PHE t CA 1 +ATOM 45462 C C . PHE FA 14 22 ? 2.325 -20.487 5.965 1.00 52.69 ? 22 PHE t C 1 +ATOM 45463 O O . PHE FA 14 22 ? 2.100 -21.467 6.669 1.00 54.20 ? 22 PHE t O 1 +ATOM 45464 C CB . PHE FA 14 22 ? 0.083 -19.795 5.089 1.00 51.51 ? 22 PHE t CB 1 +ATOM 45465 C CG . PHE FA 14 22 ? -1.051 -18.832 5.198 1.00 61.96 ? 22 PHE t CG 1 +ATOM 45466 C CD1 . PHE FA 14 22 ? -1.800 -18.760 6.374 1.00 51.99 ? 22 PHE t CD1 1 +ATOM 45467 C CD2 . PHE FA 14 22 ? -1.335 -17.945 4.161 1.00 53.91 ? 22 PHE t CD2 1 +ATOM 45468 C CE1 . PHE FA 14 22 ? -2.834 -17.834 6.501 1.00 61.41 ? 22 PHE t CE1 1 +ATOM 45469 C CE2 . PHE FA 14 22 ? -2.370 -17.010 4.283 1.00 59.53 ? 22 PHE t CE2 1 +ATOM 45470 C CZ . PHE FA 14 22 ? -3.118 -16.952 5.445 1.00 59.70 ? 22 PHE t CZ 1 +ATOM 45471 N N . PHE FA 14 23 ? 3.440 -20.371 5.259 1.00 46.83 ? 23 PHE t N 1 +ATOM 45472 C CA . PHE FA 14 23 ? 4.476 -21.394 5.324 1.00 47.67 ? 23 PHE t CA 1 +ATOM 45473 C C . PHE FA 14 23 ? 5.815 -20.789 5.729 1.00 51.60 ? 23 PHE t C 1 +ATOM 45474 O O . PHE FA 14 23 ? 6.863 -21.141 5.189 1.00 49.52 ? 23 PHE t O 1 +ATOM 45475 C CB . PHE FA 14 23 ? 4.559 -22.153 4.005 1.00 51.26 ? 23 PHE t CB 1 +ATOM 45476 C CG . PHE FA 14 23 ? 3.293 -22.903 3.681 1.00 73.61 ? 23 PHE t CG 1 +ATOM 45477 C CD1 . PHE FA 14 23 ? 3.006 -24.107 4.312 1.00 73.09 ? 23 PHE t CD1 1 +ATOM 45478 C CD2 . PHE FA 14 23 ? 2.360 -22.377 2.800 1.00 56.24 ? 23 PHE t CD2 1 +ATOM 45479 C CE1 . PHE FA 14 23 ? 1.828 -24.799 4.037 1.00 81.53 ? 23 PHE t CE1 1 +ATOM 45480 C CE2 . PHE FA 14 23 ? 1.189 -23.055 2.517 1.00 64.52 ? 23 PHE t CE2 1 +ATOM 45481 C CZ . PHE FA 14 23 ? 0.921 -24.276 3.129 1.00 78.56 ? 23 PHE t CZ 1 +ATOM 45482 N N A ARG FA 14 24 ? 5.786 -19.845 6.679 0.40 47.77 ? 24 ARG t N 1 +ATOM 45483 N N B ARG FA 14 24 ? 5.777 -19.870 6.689 0.60 47.74 ? 24 ARG t N 1 +ATOM 45484 C CA A ARG FA 14 24 ? 7.000 -19.302 7.266 0.40 53.87 ? 24 ARG t CA 1 +ATOM 45485 C CA B ARG FA 14 24 ? 6.992 -19.321 7.265 0.60 53.92 ? 24 ARG t CA 1 +ATOM 45486 C C A ARG FA 14 24 ? 7.676 -20.354 8.149 0.40 53.59 ? 24 ARG t C 1 +ATOM 45487 C C B ARG FA 14 24 ? 7.677 -20.359 8.154 0.60 53.56 ? 24 ARG t C 1 +ATOM 45488 O O A ARG FA 14 24 ? 7.072 -21.348 8.545 0.40 53.99 ? 24 ARG t O 1 +ATOM 45489 O O B ARG FA 14 24 ? 7.081 -21.357 8.559 0.60 54.01 ? 24 ARG t O 1 +ATOM 45490 C CB A ARG FA 14 24 ? 6.672 -18.064 8.106 0.40 50.84 ? 24 ARG t CB 1 +ATOM 45491 C CB B ARG FA 14 24 ? 6.672 -18.069 8.085 0.60 50.74 ? 24 ARG t CB 1 +ATOM 45492 C CG A ARG FA 14 24 ? 5.846 -18.386 9.367 0.40 52.32 ? 24 ARG t CG 1 +ATOM 45493 C CG B ARG FA 14 24 ? 5.794 -18.340 9.308 0.60 52.28 ? 24 ARG t CG 1 +ATOM 45494 C CD A ARG FA 14 24 ? 5.603 -17.142 10.194 0.40 54.45 ? 24 ARG t CD 1 +ATOM 45495 C CD B ARG FA 14 24 ? 5.584 -17.083 10.147 0.60 54.51 ? 24 ARG t CD 1 +ATOM 45496 N NE A ARG FA 14 24 ? 4.907 -17.441 11.435 0.40 54.44 ? 24 ARG t NE 1 +ATOM 45497 N NE B ARG FA 14 24 ? 4.848 -17.374 11.371 0.60 54.32 ? 24 ARG t NE 1 +ATOM 45498 C CZ A ARG FA 14 24 ? 4.650 -16.554 12.387 0.40 62.20 ? 24 ARG t CZ 1 +ATOM 45499 C CZ B ARG FA 14 24 ? 4.668 -16.518 12.369 0.60 62.41 ? 24 ARG t CZ 1 +ATOM 45500 N NH1 A ARG FA 14 24 ? 4.998 -15.275 12.263 0.40 52.06 ? 24 ARG t NH1 1 +ATOM 45501 N NH1 B ARG FA 14 24 ? 5.124 -15.273 12.311 0.60 51.81 ? 24 ARG t NH1 1 +ATOM 45502 N NH2 A ARG FA 14 24 ? 4.036 -16.959 13.495 0.40 62.32 ? 24 ARG t NH2 1 +ATOM 45503 N NH2 B ARG FA 14 24 ? 4.016 -16.923 13.456 0.60 62.42 ? 24 ARG t NH2 1 +ATOM 45504 N N . GLU FA 14 25 ? 8.947 -20.123 8.442 1.00 59.05 ? 25 GLU t N 1 +ATOM 45505 C CA . GLU FA 14 25 ? 9.591 -20.826 9.543 1.00 73.03 ? 25 GLU t CA 1 +ATOM 45506 C C . GLU FA 14 25 ? 8.901 -20.354 10.821 1.00 60.02 ? 25 GLU t C 1 +ATOM 45507 O O . GLU FA 14 25 ? 8.906 -19.148 11.099 1.00 60.85 ? 25 GLU t O 1 +ATOM 45508 C CB . GLU FA 14 25 ? 11.082 -20.508 9.640 1.00 71.97 ? 25 GLU t CB 1 +ATOM 45509 C CG . GLU FA 14 25 ? 11.931 -20.823 8.437 1.00 74.99 ? 25 GLU t CG 1 +ATOM 45510 C CD . GLU FA 14 25 ? 13.404 -20.510 8.717 1.00 98.80 ? 25 GLU t CD 1 +ATOM 45511 O OE1 . GLU FA 14 25 ? 14.024 -21.306 9.475 1.00 98.93 ? 25 GLU t OE1 1 +ATOM 45512 O OE2 . GLU FA 14 25 ? 13.920 -19.459 8.220 1.00 63.94 ? 25 GLU t OE2 1 +ATOM 45513 N N . PRO FA 14 26 ? 8.269 -21.229 11.596 1.00 69.06 ? 26 PRO t N 1 +ATOM 45514 C CA . PRO FA 14 26 ? 7.588 -20.767 12.808 1.00 67.60 ? 26 PRO t CA 1 +ATOM 45515 C C . PRO FA 14 26 ? 8.607 -20.275 13.815 1.00 65.76 ? 26 PRO t C 1 +ATOM 45516 O O . PRO FA 14 26 ? 9.650 -20.919 14.014 1.00 70.15 ? 26 PRO t O 1 +ATOM 45517 C CB . PRO FA 14 26 ? 6.864 -22.024 13.326 1.00 65.39 ? 26 PRO t CB 1 +ATOM 45518 C CG . PRO FA 14 26 ? 7.029 -23.057 12.282 1.00 74.82 ? 26 PRO t CG 1 +ATOM 45519 C CD . PRO FA 14 26 ? 8.231 -22.689 11.464 1.00 54.56 ? 26 PRO t CD 1 +ATOM 45520 N N A PRO FA 14 27 ? 8.350 -19.145 14.470 0.40 59.19 ? 27 PRO t N 1 +ATOM 45521 N N B PRO FA 14 27 ? 8.379 -19.123 14.437 0.60 58.97 ? 27 PRO t N 1 +ATOM 45522 C CA A PRO FA 14 27 ? 9.249 -18.733 15.550 0.40 72.79 ? 27 PRO t CA 1 +ATOM 45523 C CA B PRO FA 14 27 ? 9.268 -18.709 15.527 0.60 72.82 ? 27 PRO t CA 1 +ATOM 45524 C C A PRO FA 14 27 ? 9.025 -19.618 16.774 0.40 70.48 ? 27 PRO t C 1 +ATOM 45525 C C B PRO FA 14 27 ? 9.052 -19.596 16.748 0.60 70.50 ? 27 PRO t C 1 +ATOM 45526 O O A PRO FA 14 27 ? 7.892 -19.965 17.117 0.40 73.22 ? 27 PRO t O 1 +ATOM 45527 O O B PRO FA 14 27 ? 7.921 -19.950 17.094 0.60 73.34 ? 27 PRO t O 1 +ATOM 45528 C CB A PRO FA 14 27 ? 8.862 -17.270 15.802 0.40 67.29 ? 27 PRO t CB 1 +ATOM 45529 C CB B PRO FA 14 27 ? 8.867 -17.250 15.788 0.60 67.33 ? 27 PRO t CB 1 +ATOM 45530 C CG A PRO FA 14 27 ? 7.457 -17.143 15.299 0.40 65.86 ? 27 PRO t CG 1 +ATOM 45531 C CG B PRO FA 14 27 ? 7.480 -17.116 15.225 0.60 65.82 ? 27 PRO t CG 1 +ATOM 45532 C CD A PRO FA 14 27 ? 7.277 -18.167 14.213 0.40 65.25 ? 27 PRO t CD 1 +ATOM 45533 C CD B PRO FA 14 27 ? 7.376 -18.097 14.098 0.60 65.28 ? 27 PRO t CD 1 +ATOM 45534 N N A ARG FA 14 28 ? 10.123 -20.030 17.398 0.40 63.22 ? 28 ARG t N 1 +ATOM 45535 N N B ARG FA 14 28 ? 10.154 -19.991 17.378 0.60 63.01 ? 28 ARG t N 1 +ATOM 45536 C CA A ARG FA 14 28 ? 10.074 -20.935 18.540 0.40 71.93 ? 28 ARG t CA 1 +ATOM 45537 C CA B ARG FA 14 28 ? 10.115 -20.897 18.518 0.60 71.91 ? 28 ARG t CA 1 +ATOM 45538 C C A ARG FA 14 28 ? 10.821 -20.310 19.706 0.40 70.78 ? 28 ARG t C 1 +ATOM 45539 C C B ARG FA 14 28 ? 10.867 -20.271 19.681 0.60 70.75 ? 28 ARG t C 1 +ATOM 45540 O O A ARG FA 14 28 ? 11.959 -19.857 19.544 0.40 76.88 ? 28 ARG t O 1 +ATOM 45541 O O B ARG FA 14 28 ? 11.997 -19.798 19.512 0.60 76.95 ? 28 ARG t O 1 +ATOM 45542 C CB A ARG FA 14 28 ? 10.686 -22.298 18.192 0.40 71.16 ? 28 ARG t CB 1 +ATOM 45543 C CB B ARG FA 14 28 ? 10.723 -22.259 18.160 0.60 71.11 ? 28 ARG t CB 1 +ATOM 45544 C CG A ARG FA 14 28 ? 9.893 -23.107 17.185 0.40 71.76 ? 28 ARG t CG 1 +ATOM 45545 C CG B ARG FA 14 28 ? 9.905 -23.077 17.175 0.60 71.69 ? 28 ARG t CG 1 +ATOM 45546 C CD A ARG FA 14 28 ? 8.760 -23.848 17.862 0.40 84.65 ? 28 ARG t CD 1 +ATOM 45547 C CD B ARG FA 14 28 ? 8.791 -23.826 17.878 0.60 84.76 ? 28 ARG t CD 1 +ATOM 45548 N NE A ARG FA 14 28 ? 7.954 -24.593 16.904 0.40 86.69 ? 28 ARG t NE 1 +ATOM 45549 N NE B ARG FA 14 28 ? 7.958 -24.583 16.953 0.60 86.82 ? 28 ARG t NE 1 +ATOM 45550 C CZ A ARG FA 14 28 ? 6.766 -24.198 16.472 0.40 84.38 ? 28 ARG t CZ 1 +ATOM 45551 C CZ B ARG FA 14 28 ? 6.760 -24.192 16.541 0.60 84.49 ? 28 ARG t CZ 1 +ATOM 45552 N NH1 A ARG FA 14 28 ? 6.215 -23.074 16.905 0.40 78.12 ? 28 ARG t NH1 1 +ATOM 45553 N NH1 B ARG FA 14 28 ? 6.230 -23.050 16.950 0.60 78.13 ? 28 ARG t NH1 1 +ATOM 45554 N NH2 A ARG FA 14 28 ? 6.111 -24.950 15.589 0.40 77.65 ? 28 ARG t NH2 1 +ATOM 45555 N NH2 B ARG FA 14 28 ? 6.075 -24.967 15.703 0.60 77.61 ? 28 ARG t NH2 1 +ATOM 45556 N N A ILE FA 14 29 ? 10.191 -20.284 20.873 0.40 74.33 ? 29 ILE t N 1 +ATOM 45557 N N B ILE FA 14 29 ? 10.245 -20.262 20.853 0.60 74.22 ? 29 ILE t N 1 +ATOM 45558 C CA A ILE FA 14 29 ? 10.846 -19.739 22.057 0.40 87.46 ? 29 ILE t CA 1 +ATOM 45559 C CA B ILE FA 14 29 ? 10.890 -19.713 22.041 0.60 87.54 ? 29 ILE t CA 1 +ATOM 45560 C C A ILE FA 14 29 ? 11.885 -20.728 22.569 0.40 87.92 ? 29 ILE t C 1 +ATOM 45561 C C B ILE FA 14 29 ? 11.928 -20.700 22.556 0.60 87.91 ? 29 ILE t C 1 +ATOM 45562 O O A ILE FA 14 29 ? 11.670 -21.947 22.554 0.40 84.32 ? 29 ILE t O 1 +ATOM 45563 O O B ILE FA 14 29 ? 11.715 -21.920 22.532 0.60 84.18 ? 29 ILE t O 1 +ATOM 45564 C CB A ILE FA 14 29 ? 9.812 -19.407 23.145 0.40 85.28 ? 29 ILE t CB 1 +ATOM 45565 C CB B ILE FA 14 29 ? 9.846 -19.393 23.124 0.60 85.28 ? 29 ILE t CB 1 +ATOM 45566 C CG1 A ILE FA 14 29 ? 8.690 -18.553 22.567 0.40 88.07 ? 29 ILE t CG1 1 +ATOM 45567 C CG1 B ILE FA 14 29 ? 8.712 -18.552 22.541 0.60 88.16 ? 29 ILE t CG1 1 +ATOM 45568 C CG2 A ILE FA 14 29 ? 10.468 -18.646 24.288 0.40 86.68 ? 29 ILE t CG2 1 +ATOM 45569 C CG2 B ILE FA 14 29 ? 10.489 -18.649 24.285 0.60 86.70 ? 29 ILE t CG2 1 +ATOM 45570 C CD1 A ILE FA 14 29 ? 7.735 -18.040 23.623 0.40 93.70 ? 29 ILE t CD1 1 +ATOM 45571 C CD1 B ILE FA 14 29 ? 7.721 -18.077 23.586 0.60 93.83 ? 29 ILE t CD1 1 +ATOM 45572 N N A THR FA 14 30 ? 13.032 -20.201 23.002 0.40 108.76 ? 30 THR t N 1 +ATOM 45573 N N B THR FA 14 30 ? 13.069 -20.177 23.003 0.60 108.66 ? 30 THR t N 1 +ATOM 45574 C CA A THR FA 14 30 ? 14.018 -20.983 23.754 0.40 129.35 ? 30 THR t CA 1 +ATOM 45575 C CA B THR FA 14 30 ? 14.053 -20.974 23.740 0.60 129.60 ? 30 THR t CA 1 +ATOM 45576 C C A THR FA 14 30 ? 14.589 -20.178 24.922 0.40 128.94 ? 30 THR t C 1 +ATOM 45577 C C B THR FA 14 30 ? 14.636 -20.171 24.899 0.60 129.04 ? 30 THR t C 1 +ATOM 45578 O O A THR FA 14 30 ? 14.335 -18.980 25.052 0.40 125.61 ? 30 THR t O 1 +ATOM 45579 O O B THR FA 14 30 ? 14.473 -18.952 24.967 0.60 126.08 ? 30 THR t O 1 +ATOM 45580 C CB A THR FA 14 30 ? 15.187 -21.459 22.869 0.40 127.92 ? 30 THR t CB 1 +ATOM 45581 C CB B THR FA 14 30 ? 15.210 -21.460 22.843 0.60 128.01 ? 30 THR t CB 1 +ATOM 45582 O OG1 A THR FA 14 30 ? 15.556 -20.415 21.959 0.40 130.71 ? 30 THR t OG1 1 +ATOM 45583 O OG1 B THR FA 14 30 ? 15.650 -20.388 22.002 0.60 131.03 ? 30 THR t OG1 1 +ATOM 45584 C CG2 A THR FA 14 30 ? 14.812 -22.729 22.098 0.40 126.91 ? 30 THR t CG2 1 +ATOM 45585 C CG2 B THR FA 14 30 ? 14.779 -22.655 21.992 0.60 127.00 ? 30 THR t CG2 1 +ATOM 45586 N N . GLU GA 15 8 ? 0.597 18.885 -49.831 1.00 125.17 ? 8 GLU u N 1 +ATOM 45587 C CA . GLU GA 15 8 ? -0.834 19.102 -49.635 1.00 143.66 ? 8 GLU u CA 1 +ATOM 45588 C C . GLU GA 15 8 ? -1.133 19.638 -48.228 1.00 124.69 ? 8 GLU u C 1 +ATOM 45589 O O . GLU GA 15 8 ? -1.953 20.543 -48.061 1.00 126.08 ? 8 GLU u O 1 +ATOM 45590 C CB . GLU GA 15 8 ? -1.617 17.801 -49.884 1.00 131.71 ? 8 GLU u CB 1 +ATOM 45591 C CG . GLU GA 15 8 ? -3.129 17.929 -49.672 1.00 146.04 ? 8 GLU u CG 1 +ATOM 45592 C CD . GLU GA 15 8 ? -3.855 16.589 -49.671 1.00 146.41 ? 8 GLU u CD 1 +ATOM 45593 O OE1 . GLU GA 15 8 ? -3.362 15.636 -50.312 1.00 151.18 ? 8 GLU u OE1 1 +ATOM 45594 O OE2 . GLU GA 15 8 ? -4.922 16.491 -49.023 1.00 139.49 ? 8 GLU u OE2 1 +ATOM 45595 N N . LEU GA 15 9 ? -0.460 19.083 -47.220 1.00 94.97 ? 9 LEU u N 1 +ATOM 45596 C CA . LEU GA 15 9 ? -0.757 19.380 -45.820 1.00 78.63 ? 9 LEU u CA 1 +ATOM 45597 C C . LEU GA 15 9 ? -0.040 20.654 -45.400 1.00 60.99 ? 9 LEU u C 1 +ATOM 45598 O O . LEU GA 15 9 ? 1.188 20.673 -45.277 1.00 66.37 ? 9 LEU u O 1 +ATOM 45599 C CB . LEU GA 15 9 ? -0.336 18.219 -44.925 1.00 68.30 ? 9 LEU u CB 1 +ATOM 45600 C CG . LEU GA 15 9 ? -1.071 16.908 -45.129 1.00 77.72 ? 9 LEU u CG 1 +ATOM 45601 C CD1 . LEU GA 15 9 ? -0.625 15.957 -44.066 1.00 63.41 ? 9 LEU u CD1 1 +ATOM 45602 C CD2 . LEU GA 15 9 ? -2.569 17.145 -45.050 1.00 88.23 ? 9 LEU u CD2 1 +ATOM 45603 N N A VAL GA 15 10 ? -0.800 21.729 -45.184 0.50 60.93 ? 10 VAL u N 1 +ATOM 45604 N N B VAL GA 15 10 ? -0.804 21.704 -45.144 0.50 60.81 ? 10 VAL u N 1 +ATOM 45605 C CA A VAL GA 15 10 ? -0.238 22.994 -44.737 0.50 59.16 ? 10 VAL u CA 1 +ATOM 45606 C CA B VAL GA 15 10 ? -0.235 22.962 -44.695 0.50 59.04 ? 10 VAL u CA 1 +ATOM 45607 C C A VAL GA 15 10 ? -0.997 23.476 -43.511 0.50 59.13 ? 10 VAL u C 1 +ATOM 45608 C C B VAL GA 15 10 ? -0.973 23.399 -43.444 0.50 58.95 ? 10 VAL u C 1 +ATOM 45609 O O A VAL GA 15 10 ? -2.200 23.240 -43.361 0.50 56.88 ? 10 VAL u O 1 +ATOM 45610 O O B VAL GA 15 10 ? -2.140 23.055 -43.226 0.50 55.65 ? 10 VAL u O 1 +ATOM 45611 C CB A VAL GA 15 10 ? -0.268 24.074 -45.846 0.50 71.00 ? 10 VAL u CB 1 +ATOM 45612 C CB B VAL GA 15 10 ? -0.299 24.065 -45.783 0.50 70.99 ? 10 VAL u CB 1 +ATOM 45613 C CG1 A VAL GA 15 10 ? 1.117 24.659 -46.040 0.50 64.38 ? 10 VAL u CG1 1 +ATOM 45614 C CG1 B VAL GA 15 10 ? 0.395 23.596 -47.059 0.50 56.10 ? 10 VAL u CG1 1 +ATOM 45615 C CG2 A VAL GA 15 10 ? -0.803 23.494 -47.153 0.50 61.38 ? 10 VAL u CG2 1 +ATOM 45616 C CG2 B VAL GA 15 10 ? -1.744 24.469 -46.060 0.50 54.87 ? 10 VAL u CG2 1 +ATOM 45617 N N . ASN GA 15 11 ? -0.273 24.149 -42.611 1.00 56.49 ? 11 ASN u N 1 +ATOM 45618 C CA . ASN GA 15 11 ? -0.879 24.806 -41.467 1.00 54.20 ? 11 ASN u CA 1 +ATOM 45619 C C . ASN GA 15 11 ? -1.420 26.146 -41.953 1.00 59.46 ? 11 ASN u C 1 +ATOM 45620 O O . ASN GA 15 11 ? -0.643 27.020 -42.358 1.00 51.18 ? 11 ASN u O 1 +ATOM 45621 C CB . ASN GA 15 11 ? 0.147 25.001 -40.349 1.00 49.12 ? 11 ASN u CB 1 +ATOM 45622 C CG . ASN GA 15 11 ? -0.456 25.654 -39.104 1.00 55.75 ? 11 ASN u CG 1 +ATOM 45623 O OD1 . ASN GA 15 11 ? -1.148 26.683 -39.189 1.00 58.93 ? 11 ASN u OD1 1 +ATOM 45624 N ND2 . ASN GA 15 11 ? -0.197 25.064 -37.947 1.00 49.61 ? 11 ASN u ND2 1 +ATOM 45625 N N . VAL GA 15 12 ? -2.743 26.312 -41.920 1.00 48.05 ? 12 VAL u N 1 +ATOM 45626 C CA . VAL GA 15 12 ? -3.321 27.485 -42.570 1.00 55.14 ? 12 VAL u CA 1 +ATOM 45627 C C . VAL GA 15 12 ? -3.111 28.745 -41.756 1.00 65.02 ? 12 VAL u C 1 +ATOM 45628 O O . VAL GA 15 12 ? -3.109 29.845 -42.324 1.00 61.97 ? 12 VAL u O 1 +ATOM 45629 C CB . VAL GA 15 12 ? -4.817 27.302 -42.870 1.00 51.84 ? 12 VAL u CB 1 +ATOM 45630 C CG1 . VAL GA 15 12 ? -5.010 26.218 -43.932 1.00 51.85 ? 12 VAL u CG1 1 +ATOM 45631 C CG2 . VAL GA 15 12 ? -5.595 26.957 -41.599 1.00 63.80 ? 12 VAL u CG2 1 +ATOM 45632 N N . VAL GA 15 13 ? -2.903 28.627 -40.444 1.00 58.46 ? 13 VAL u N 1 +ATOM 45633 C CA . VAL GA 15 13 ? -2.599 29.827 -39.673 1.00 50.75 ? 13 VAL u CA 1 +ATOM 45634 C C . VAL GA 15 13 ? -1.205 30.337 -40.022 1.00 63.53 ? 13 VAL u C 1 +ATOM 45635 O O . VAL GA 15 13 ? -1.001 31.547 -40.190 1.00 58.07 ? 13 VAL u O 1 +ATOM 45636 C CB . VAL GA 15 13 ? -2.765 29.563 -38.167 1.00 57.69 ? 13 VAL u CB 1 +ATOM 45637 C CG1 . VAL GA 15 13 ? -2.368 30.789 -37.348 1.00 51.74 ? 13 VAL u CG1 1 +ATOM 45638 C CG2 . VAL GA 15 13 ? -4.221 29.145 -37.866 1.00 49.55 ? 13 VAL u CG2 1 +ATOM 45639 N N . ASP GA 15 14 ? -0.229 29.430 -40.155 1.00 56.01 ? 14 ASP u N 1 +ATOM 45640 C CA . ASP GA 15 14 ? 1.113 29.856 -40.550 1.00 55.15 ? 14 ASP u CA 1 +ATOM 45641 C C . ASP GA 15 14 ? 1.099 30.483 -41.944 1.00 70.33 ? 14 ASP u C 1 +ATOM 45642 O O . ASP GA 15 14 ? 1.753 31.507 -42.187 1.00 56.66 ? 14 ASP u O 1 +ATOM 45643 C CB . ASP GA 15 14 ? 2.074 28.671 -40.503 1.00 53.71 ? 14 ASP u CB 1 +ATOM 45644 C CG . ASP GA 15 14 ? 2.417 28.259 -39.079 1.00 63.46 ? 14 ASP u CG 1 +ATOM 45645 O OD1 . ASP GA 15 14 ? 2.690 29.156 -38.266 1.00 56.39 ? 14 ASP u OD1 1 +ATOM 45646 O OD2 . ASP GA 15 14 ? 2.423 27.049 -38.776 1.00 67.26 ? 14 ASP u OD2 1 +ATOM 45647 N N . GLU GA 15 15 ? 0.352 29.879 -42.867 1.00 55.06 ? 15 GLU u N 1 +ATOM 45648 C CA . GLU GA 15 15 ? 0.190 30.441 -44.201 1.00 66.90 ? 15 GLU u CA 1 +ATOM 45649 C C . GLU GA 15 15 ? -0.347 31.866 -44.134 1.00 66.71 ? 15 GLU u C 1 +ATOM 45650 O O . GLU GA 15 15 ? 0.211 32.778 -44.755 1.00 63.43 ? 15 GLU u O 1 +ATOM 45651 C CB . GLU GA 15 15 ? -0.746 29.547 -45.008 1.00 64.80 ? 15 GLU u CB 1 +ATOM 45652 C CG . GLU GA 15 15 ? -0.490 29.544 -46.481 1.00 90.04 ? 15 GLU u CG 1 +ATOM 45653 C CD . GLU GA 15 15 ? -1.368 28.540 -47.197 1.00 99.14 ? 15 GLU u CD 1 +ATOM 45654 O OE1 . GLU GA 15 15 ? -2.614 28.616 -47.046 1.00 105.19 ? 15 GLU u OE1 1 +ATOM 45655 O OE2 . GLU GA 15 15 ? -0.810 27.663 -47.890 1.00 93.03 ? 15 GLU u OE2 1 +ATOM 45656 N N . LYS GA 15 16 ? -1.431 32.074 -43.371 1.00 58.75 ? 16 LYS u N 1 +ATOM 45657 C CA . LYS GA 15 16 ? -2.029 33.399 -43.237 1.00 56.02 ? 16 LYS u CA 1 +ATOM 45658 C C . LYS GA 15 16 ? -1.016 34.430 -42.747 1.00 62.92 ? 16 LYS u C 1 +ATOM 45659 O O . LYS GA 15 16 ? -1.068 35.598 -43.159 1.00 63.57 ? 16 LYS u O 1 +ATOM 45660 C CB . LYS GA 15 16 ? -3.220 33.333 -42.283 1.00 62.74 ? 16 LYS u CB 1 +ATOM 45661 C CG . LYS GA 15 16 ? -4.304 34.358 -42.527 1.00 56.72 ? 16 LYS u CG 1 +ATOM 45662 C CD . LYS GA 15 16 ? -5.085 34.011 -43.773 1.00 68.10 ? 16 LYS u CD 1 +ATOM 45663 C CE . LYS GA 15 16 ? -6.480 34.588 -43.702 1.00 61.72 ? 16 LYS u CE 1 +ATOM 45664 N NZ . LYS GA 15 16 ? -7.150 34.583 -45.036 1.00 56.64 ? 16 LYS u NZ 1 +ATOM 45665 N N . LEU GA 15 17 ? -0.075 34.015 -41.897 1.00 57.91 ? 17 LEU u N 1 +ATOM 45666 C CA . LEU GA 15 17 ? 0.963 34.924 -41.418 1.00 61.99 ? 17 LEU u CA 1 +ATOM 45667 C C . LEU GA 15 17 ? 1.814 35.491 -42.546 1.00 61.84 ? 17 LEU u C 1 +ATOM 45668 O O . LEU GA 15 17 ? 2.477 36.518 -42.347 1.00 60.86 ? 17 LEU u O 1 +ATOM 45669 C CB . LEU GA 15 17 ? 1.870 34.218 -40.410 1.00 59.92 ? 17 LEU u CB 1 +ATOM 45670 C CG . LEU GA 15 17 ? 1.275 34.034 -39.013 1.00 63.03 ? 17 LEU u CG 1 +ATOM 45671 C CD1 . LEU GA 15 17 ? 2.261 33.313 -38.092 1.00 58.61 ? 17 LEU u CD1 1 +ATOM 45672 C CD2 . LEU GA 15 17 ? 0.882 35.386 -38.435 1.00 51.88 ? 17 LEU u CD2 1 +ATOM 45673 N N . GLY GA 15 18 ? 1.830 34.846 -43.707 1.00 55.06 ? 18 GLY u N 1 +ATOM 45674 C CA . GLY GA 15 18 ? 2.562 35.346 -44.848 1.00 63.30 ? 18 GLY u CA 1 +ATOM 45675 C C . GLY GA 15 18 ? 1.763 36.236 -45.781 1.00 62.57 ? 18 GLY u C 1 +ATOM 45676 O O . GLY GA 15 18 ? 2.292 36.670 -46.801 1.00 67.56 ? 18 GLY u O 1 +ATOM 45677 N N . THR GA 15 19 ? 0.498 36.494 -45.480 1.00 66.37 ? 19 THR u N 1 +ATOM 45678 C CA . THR GA 15 19 ? -0.322 37.453 -46.192 1.00 60.37 ? 19 THR u CA 1 +ATOM 45679 C C . THR GA 15 19 ? -0.308 38.775 -45.425 1.00 66.45 ? 19 THR u C 1 +ATOM 45680 O O . THR GA 15 19 ? 0.467 38.958 -44.482 1.00 66.93 ? 19 THR u O 1 +ATOM 45681 C CB . THR GA 15 19 ? -1.750 36.923 -46.362 1.00 61.10 ? 19 THR u CB 1 +ATOM 45682 O OG1 . THR GA 15 19 ? -2.463 37.045 -45.122 1.00 58.70 ? 19 THR u OG1 1 +ATOM 45683 C CG2 . THR GA 15 19 ? -1.737 35.488 -46.785 1.00 51.08 ? 19 THR u CG2 1 +ATOM 45684 N N . ALA GA 15 20 ? -1.183 39.707 -45.822 1.00 66.59 ? 20 ALA u N 1 +ATOM 45685 C CA . ALA GA 15 20 ? -1.277 40.991 -45.130 1.00 72.71 ? 20 ALA u CA 1 +ATOM 45686 C C . ALA GA 15 20 ? -1.830 40.837 -43.721 1.00 63.19 ? 20 ALA u C 1 +ATOM 45687 O O . ALA GA 15 20 ? -1.678 41.752 -42.891 1.00 58.92 ? 20 ALA u O 1 +ATOM 45688 C CB . ALA GA 15 20 ? -2.144 41.966 -45.940 1.00 67.00 ? 20 ALA u CB 1 +ATOM 45689 N N . TYR GA 15 21 ? -2.470 39.698 -43.434 1.00 66.79 ? 21 TYR u N 1 +ATOM 45690 C CA . TYR GA 15 21 ? -2.836 39.380 -42.056 1.00 61.51 ? 21 TYR u CA 1 +ATOM 45691 C C . TYR GA 15 21 ? -1.634 39.477 -41.127 1.00 55.03 ? 21 TYR u C 1 +ATOM 45692 O O . TYR GA 15 21 ? -1.777 39.890 -39.974 1.00 62.10 ? 21 TYR u O 1 +ATOM 45693 C CB . TYR GA 15 21 ? -3.465 37.994 -41.996 1.00 56.07 ? 21 TYR u CB 1 +ATOM 45694 C CG . TYR GA 15 21 ? -3.750 37.488 -40.599 1.00 61.66 ? 21 TYR u CG 1 +ATOM 45695 C CD1 . TYR GA 15 21 ? -4.991 37.696 -39.995 1.00 55.19 ? 21 TYR u CD1 1 +ATOM 45696 C CD2 . TYR GA 15 21 ? -2.787 36.774 -39.893 1.00 59.28 ? 21 TYR u CD2 1 +ATOM 45697 C CE1 . TYR GA 15 21 ? -5.252 37.226 -38.713 1.00 58.05 ? 21 TYR u CE1 1 +ATOM 45698 C CE2 . TYR GA 15 21 ? -3.037 36.299 -38.631 1.00 61.47 ? 21 TYR u CE2 1 +ATOM 45699 C CZ . TYR GA 15 21 ? -4.267 36.527 -38.037 1.00 62.41 ? 21 TYR u CZ 1 +ATOM 45700 O OH . TYR GA 15 21 ? -4.494 36.037 -36.764 1.00 67.46 ? 21 TYR u OH 1 +ATOM 45701 N N . GLY GA 15 22 ? -0.443 39.155 -41.617 1.00 59.11 ? 22 GLY u N 1 +ATOM 45702 C CA . GLY GA 15 22 ? 0.751 39.298 -40.807 1.00 62.76 ? 22 GLY u CA 1 +ATOM 45703 C C . GLY GA 15 22 ? 1.309 40.695 -40.652 1.00 75.24 ? 22 GLY u C 1 +ATOM 45704 O O . GLY GA 15 22 ? 2.301 40.869 -39.937 1.00 64.81 ? 22 GLY u O 1 +ATOM 45705 N N . GLU GA 15 23 ? 0.721 41.706 -41.302 1.00 61.01 ? 23 GLU u N 1 +ATOM 45706 C CA . GLU GA 15 23 ? 1.270 43.047 -41.264 1.00 64.29 ? 23 GLU u CA 1 +ATOM 45707 C C . GLU GA 15 23 ? 0.281 44.081 -40.771 1.00 62.58 ? 23 GLU u C 1 +ATOM 45708 O O . GLU GA 15 23 ? 0.712 45.129 -40.285 1.00 68.72 ? 23 GLU u O 1 +ATOM 45709 C CB . GLU GA 15 23 ? 1.756 43.482 -42.659 1.00 79.45 ? 23 GLU u CB 1 +ATOM 45710 C CG . GLU GA 15 23 ? 2.304 42.343 -43.538 1.00 108.01 ? 23 GLU u CG 1 +ATOM 45711 C CD . GLU GA 15 23 ? 2.494 42.761 -45.002 1.00 119.12 ? 23 GLU u CD 1 +ATOM 45712 O OE1 . GLU GA 15 23 ? 2.628 43.980 -45.258 1.00 116.36 ? 23 GLU u OE1 1 +ATOM 45713 O OE2 . GLU GA 15 23 ? 2.491 41.872 -45.894 1.00 110.68 ? 23 GLU u OE2 1 +ATOM 45714 N N . LYS GA 15 24 ? -1.021 43.830 -40.867 1.00 64.39 ? 24 LYS u N 1 +ATOM 45715 C CA . LYS GA 15 24 ? -2.011 44.849 -40.546 1.00 63.59 ? 24 LYS u CA 1 +ATOM 45716 C C . LYS GA 15 24 ? -3.218 44.196 -39.892 1.00 63.52 ? 24 LYS u C 1 +ATOM 45717 O O . LYS GA 15 24 ? -3.338 42.975 -39.842 1.00 62.25 ? 24 LYS u O 1 +ATOM 45718 C CB . LYS GA 15 24 ? -2.468 45.606 -41.801 1.00 77.22 ? 24 LYS u CB 1 +ATOM 45719 C CG . LYS GA 15 24 ? -1.419 46.484 -42.457 1.00 75.54 ? 24 LYS u CG 1 +ATOM 45720 C CD . LYS GA 15 24 ? -1.950 47.036 -43.765 1.00 83.91 ? 24 LYS u CD 1 +ATOM 45721 C CE . LYS GA 15 24 ? -0.971 48.014 -44.400 1.00 89.07 ? 24 LYS u CE 1 +ATOM 45722 N NZ . LYS GA 15 24 ? -1.460 48.448 -45.756 1.00 117.16 ? 24 LYS u NZ 1 +ATOM 45723 N N . ILE GA 15 25 ? -4.140 45.020 -39.403 1.00 58.66 ? 25 ILE u N 1 +ATOM 45724 C CA . ILE GA 15 25 ? -5.389 44.481 -38.875 1.00 55.07 ? 25 ILE u CA 1 +ATOM 45725 C C . ILE GA 15 25 ? -6.246 44.001 -40.038 1.00 66.34 ? 25 ILE u C 1 +ATOM 45726 O O . ILE GA 15 25 ? -6.672 44.798 -40.880 1.00 65.29 ? 25 ILE u O 1 +ATOM 45727 C CB . ILE GA 15 25 ? -6.137 45.525 -38.042 1.00 58.67 ? 25 ILE u CB 1 +ATOM 45728 C CG1 . ILE GA 15 25 ? -5.268 45.993 -36.862 1.00 56.45 ? 25 ILE u CG1 1 +ATOM 45729 C CG2 . ILE GA 15 25 ? -7.504 44.960 -37.608 1.00 59.39 ? 25 ILE u CG2 1 +ATOM 45730 C CD1 . ILE GA 15 25 ? -5.997 46.908 -35.902 1.00 60.83 ? 25 ILE u CD1 1 +ATOM 45731 N N . ASP GA 15 26 ? -6.510 42.700 -40.086 1.00 55.83 ? 26 ASP u N 1 +ATOM 45732 C CA . ASP GA 15 26 ? -7.347 42.091 -41.116 1.00 57.44 ? 26 ASP u CA 1 +ATOM 45733 C C . ASP GA 15 26 ? -8.788 42.139 -40.625 1.00 64.02 ? 26 ASP u C 1 +ATOM 45734 O O . ASP GA 15 26 ? -9.137 41.473 -39.645 1.00 63.60 ? 26 ASP u O 1 +ATOM 45735 C CB . ASP GA 15 26 ? -6.864 40.662 -41.378 1.00 50.59 ? 26 ASP u CB 1 +ATOM 45736 C CG . ASP GA 15 26 ? -7.664 39.903 -42.441 1.00 58.65 ? 26 ASP u CG 1 +ATOM 45737 O OD1 . ASP GA 15 26 ? -8.805 40.287 -42.823 1.00 61.15 ? 26 ASP u OD1 1 +ATOM 45738 O OD2 . ASP GA 15 26 ? -7.133 38.849 -42.859 1.00 57.61 ? 26 ASP u OD2 1 +ATOM 45739 N N . LEU GA 15 27 ? -9.620 42.941 -41.293 1.00 58.84 ? 27 LEU u N 1 +ATOM 45740 C CA . LEU GA 15 27 ? -11.011 43.122 -40.894 1.00 58.32 ? 27 LEU u CA 1 +ATOM 45741 C C . LEU GA 15 27 ? -11.829 41.850 -41.001 1.00 59.43 ? 27 LEU u C 1 +ATOM 45742 O O . LEU GA 15 27 ? -12.930 41.796 -40.433 1.00 55.40 ? 27 LEU u O 1 +ATOM 45743 C CB . LEU GA 15 27 ? -11.684 44.191 -41.752 1.00 63.55 ? 27 LEU u CB 1 +ATOM 45744 C CG . LEU GA 15 27 ? -11.031 45.570 -41.902 1.00 64.25 ? 27 LEU u CG 1 +ATOM 45745 C CD1 . LEU GA 15 27 ? -11.840 46.417 -42.899 1.00 64.66 ? 27 LEU u CD1 1 +ATOM 45746 C CD2 . LEU GA 15 27 ? -10.925 46.269 -40.573 1.00 63.86 ? 27 LEU u CD2 1 +ATOM 45747 N N . ASN GA 15 28 ? -11.341 40.837 -41.716 1.00 55.11 ? 28 ASN u N 1 +ATOM 45748 C CA . ASN GA 15 28 ? -12.092 39.598 -41.859 1.00 58.37 ? 28 ASN u CA 1 +ATOM 45749 C C . ASN GA 15 28 ? -11.686 38.514 -40.858 1.00 70.91 ? 28 ASN u C 1 +ATOM 45750 O O . ASN GA 15 28 ? -12.409 37.517 -40.729 1.00 54.89 ? 28 ASN u O 1 +ATOM 45751 C CB . ASN GA 15 28 ? -11.956 39.060 -43.289 1.00 55.05 ? 28 ASN u CB 1 +ATOM 45752 C CG . ASN GA 15 28 ? -12.783 39.873 -44.308 1.00 61.71 ? 28 ASN u CG 1 +ATOM 45753 O OD1 . ASN GA 15 28 ? -13.618 40.689 -43.942 1.00 63.42 ? 28 ASN u OD1 1 +ATOM 45754 N ND2 . ASN GA 15 28 ? -12.553 39.630 -45.576 1.00 61.08 ? 28 ASN u ND2 1 +ATOM 45755 N N . ASN GA 15 29 ? -10.587 38.691 -40.122 1.00 50.23 ? 29 ASN u N 1 +ATOM 45756 C CA . ASN GA 15 29 ? -10.003 37.540 -39.450 1.00 55.32 ? 29 ASN u CA 1 +ATOM 45757 C C . ASN GA 15 29 ? -9.453 37.896 -38.077 1.00 65.86 ? 29 ASN u C 1 +ATOM 45758 O O . ASN GA 15 29 ? -9.603 37.124 -37.127 1.00 64.99 ? 29 ASN u O 1 +ATOM 45759 C CB . ASN GA 15 29 ? -8.889 36.935 -40.314 1.00 51.28 ? 29 ASN u CB 1 +ATOM 45760 C CG . ASN GA 15 29 ? -9.426 36.113 -41.494 1.00 67.16 ? 29 ASN u CG 1 +ATOM 45761 O OD1 . ASN GA 15 29 ? -10.161 35.133 -41.306 1.00 60.52 ? 29 ASN u OD1 1 +ATOM 45762 N ND2 . ASN GA 15 29 ? -9.052 36.509 -42.718 1.00 58.83 ? 29 ASN u ND2 1 +ATOM 45763 N N . THR GA 15 30 ? -8.833 39.066 -37.965 1.00 58.62 ? 30 THR u N 1 +ATOM 45764 C CA . THR GA 15 30 ? -8.047 39.392 -36.788 1.00 53.74 ? 30 THR u CA 1 +ATOM 45765 C C . THR GA 15 30 ? -8.923 39.502 -35.540 1.00 65.50 ? 30 THR u C 1 +ATOM 45766 O O . THR GA 15 30 ? -10.081 39.940 -35.589 1.00 53.74 ? 30 THR u O 1 +ATOM 45767 C CB . THR GA 15 30 ? -7.263 40.672 -37.054 1.00 56.45 ? 30 THR u CB 1 +ATOM 45768 O OG1 . THR GA 15 30 ? -6.462 40.462 -38.226 1.00 61.87 ? 30 THR u OG1 1 +ATOM 45769 C CG2 . THR GA 15 30 ? -6.331 41.001 -35.917 1.00 57.49 ? 30 THR u CG2 1 +ATOM 45770 N N . ASN GA 15 31 ? -8.369 39.028 -34.427 1.00 55.93 ? 31 ASN u N 1 +ATOM 45771 C CA . ASN GA 15 31 ? -9.027 39.094 -33.131 1.00 55.51 ? 31 ASN u CA 1 +ATOM 45772 C C . ASN GA 15 31 ? -9.242 40.551 -32.697 1.00 56.06 ? 31 ASN u C 1 +ATOM 45773 O O . ASN GA 15 31 ? -8.414 41.432 -32.956 1.00 55.87 ? 31 ASN u O 1 +ATOM 45774 C CB . ASN GA 15 31 ? -8.172 38.332 -32.113 1.00 50.23 ? 31 ASN u CB 1 +ATOM 45775 C CG . ASN GA 15 31 ? -8.647 38.506 -30.703 1.00 54.61 ? 31 ASN u CG 1 +ATOM 45776 O OD1 . ASN GA 15 31 ? -8.160 39.380 -29.986 1.00 60.06 ? 31 ASN u OD1 1 +ATOM 45777 N ND2 . ASN GA 15 31 ? -9.613 37.685 -30.292 1.00 51.33 ? 31 ASN u ND2 1 +ATOM 45778 N N . ILE GA 15 32 ? -10.350 40.788 -31.985 1.00 53.12 ? 32 ILE u N 1 +ATOM 45779 C CA . ILE GA 15 32 ? -10.815 42.143 -31.695 1.00 57.75 ? 32 ILE u CA 1 +ATOM 45780 C C . ILE GA 15 32 ? -9.812 42.960 -30.874 1.00 63.07 ? 32 ILE u C 1 +ATOM 45781 O O . ILE GA 15 32 ? -9.800 44.189 -30.966 1.00 57.38 ? 32 ILE u O 1 +ATOM 45782 C CB . ILE GA 15 32 ? -12.186 42.072 -30.996 1.00 65.56 ? 32 ILE u CB 1 +ATOM 45783 C CG1 . ILE GA 15 32 ? -12.849 43.449 -30.953 1.00 53.82 ? 32 ILE u CG1 1 +ATOM 45784 C CG2 . ILE GA 15 32 ? -12.039 41.488 -29.568 1.00 52.42 ? 32 ILE u CG2 1 +ATOM 45785 C CD1 . ILE GA 15 32 ? -14.355 43.365 -30.821 1.00 57.86 ? 32 ILE u CD1 1 +ATOM 45786 N N . ALA GA 15 33 ? -8.961 42.313 -30.061 1.00 61.64 ? 33 ALA u N 1 +ATOM 45787 C CA . ALA GA 15 33 ? -8.026 43.075 -29.224 1.00 62.98 ? 33 ALA u CA 1 +ATOM 45788 C C . ALA GA 15 33 ? -6.998 43.843 -30.035 1.00 57.28 ? 33 ALA u C 1 +ATOM 45789 O O . ALA GA 15 33 ? -6.389 44.779 -29.513 1.00 61.90 ? 33 ALA u O 1 +ATOM 45790 C CB . ALA GA 15 33 ? -7.272 42.166 -28.262 1.00 50.17 ? 33 ALA u CB 1 +ATOM 45791 N N . ALA GA 15 34 ? -6.767 43.442 -31.281 1.00 54.83 ? 34 ALA u N 1 +ATOM 45792 C CA . ALA GA 15 34 ? -5.824 44.153 -32.131 1.00 60.25 ? 34 ALA u CA 1 +ATOM 45793 C C . ALA GA 15 34 ? -6.235 45.610 -32.342 1.00 62.85 ? 34 ALA u C 1 +ATOM 45794 O O . ALA GA 15 34 ? -5.381 46.461 -32.602 1.00 59.72 ? 34 ALA u O 1 +ATOM 45795 C CB . ALA GA 15 34 ? -5.704 43.427 -33.469 1.00 54.24 ? 34 ALA u CB 1 +ATOM 45796 N N . PHE GA 15 35 ? -7.528 45.924 -32.217 1.00 58.44 ? 35 PHE u N 1 +ATOM 45797 C CA . PHE GA 15 35 ? -7.994 47.284 -32.478 1.00 61.75 ? 35 PHE u CA 1 +ATOM 45798 C C . PHE GA 15 35 ? -7.567 48.286 -31.407 1.00 68.60 ? 35 PHE u C 1 +ATOM 45799 O O . PHE GA 15 35 ? -7.677 49.500 -31.631 1.00 63.80 ? 35 PHE u O 1 +ATOM 45800 C CB . PHE GA 15 35 ? -9.512 47.272 -32.653 1.00 61.01 ? 35 PHE u CB 1 +ATOM 45801 C CG . PHE GA 15 35 ? -9.960 46.584 -33.930 1.00 68.62 ? 35 PHE u CG 1 +ATOM 45802 C CD1 . PHE GA 15 35 ? -10.006 47.284 -35.140 1.00 69.41 ? 35 PHE u CD1 1 +ATOM 45803 C CD2 . PHE GA 15 35 ? -10.306 45.243 -33.930 1.00 61.46 ? 35 PHE u CD2 1 +ATOM 45804 C CE1 . PHE GA 15 35 ? -10.412 46.654 -36.321 1.00 66.53 ? 35 PHE u CE1 1 +ATOM 45805 C CE2 . PHE GA 15 35 ? -10.708 44.602 -35.109 1.00 64.80 ? 35 PHE u CE2 1 +ATOM 45806 C CZ . PHE GA 15 35 ? -10.762 45.306 -36.301 1.00 67.04 ? 35 PHE u CZ 1 +ATOM 45807 N N . ILE GA 15 36 ? -7.057 47.816 -30.262 1.00 63.98 ? 36 ILE u N 1 +ATOM 45808 C CA . ILE GA 15 36 ? -6.482 48.699 -29.255 1.00 59.11 ? 36 ILE u CA 1 +ATOM 45809 C C . ILE GA 15 36 ? -5.225 49.393 -29.755 1.00 62.44 ? 36 ILE u C 1 +ATOM 45810 O O . ILE GA 15 36 ? -4.799 50.388 -29.169 1.00 68.68 ? 36 ILE u O 1 +ATOM 45811 C CB . ILE GA 15 36 ? -6.242 47.859 -27.978 1.00 61.26 ? 36 ILE u CB 1 +ATOM 45812 C CG1 . ILE GA 15 36 ? -7.577 47.446 -27.372 1.00 63.30 ? 36 ILE u CG1 1 +ATOM 45813 C CG2 . ILE GA 15 36 ? -5.456 48.611 -26.936 1.00 65.17 ? 36 ILE u CG2 1 +ATOM 45814 C CD1 . ILE GA 15 36 ? -7.466 46.453 -26.233 1.00 70.40 ? 36 ILE u CD1 1 +ATOM 45815 N N . GLN GA 15 37 ? -4.634 48.917 -30.855 1.00 60.94 ? 37 GLN u N 1 +ATOM 45816 C CA . GLN GA 15 37 ? -3.379 49.500 -31.318 1.00 73.48 ? 37 GLN u CA 1 +ATOM 45817 C C . GLN GA 15 37 ? -3.513 50.923 -31.869 1.00 72.56 ? 37 GLN u C 1 +ATOM 45818 O O . GLN GA 15 37 ? -2.487 51.591 -32.033 1.00 69.02 ? 37 GLN u O 1 +ATOM 45819 C CB . GLN GA 15 37 ? -2.762 48.644 -32.410 1.00 72.25 ? 37 GLN u CB 1 +ATOM 45820 C CG . GLN GA 15 37 ? -2.376 47.259 -32.007 1.00 88.94 ? 37 GLN u CG 1 +ATOM 45821 C CD . GLN GA 15 37 ? -2.047 46.447 -33.238 1.00 96.25 ? 37 GLN u CD 1 +ATOM 45822 O OE1 . GLN GA 15 37 ? -1.005 46.645 -33.859 1.00 100.17 ? 37 GLN u OE1 1 +ATOM 45823 N NE2 . GLN GA 15 37 ? -2.960 45.561 -33.629 1.00 88.44 ? 37 GLN u NE2 1 +ATOM 45824 N N . TYR GA 15 38 ? -4.720 51.393 -32.197 1.00 65.71 ? 38 TYR u N 1 +ATOM 45825 C CA . TYR GA 15 38 ? -4.902 52.727 -32.767 1.00 60.91 ? 38 TYR u CA 1 +ATOM 45826 C C . TYR GA 15 38 ? -5.982 53.489 -32.009 1.00 77.00 ? 38 TYR u C 1 +ATOM 45827 O O . TYR GA 15 38 ? -6.945 52.899 -31.510 1.00 74.82 ? 38 TYR u O 1 +ATOM 45828 C CB . TYR GA 15 38 ? -5.252 52.668 -34.267 1.00 57.35 ? 38 TYR u CB 1 +ATOM 45829 C CG . TYR GA 15 38 ? -4.214 51.926 -35.043 1.00 59.08 ? 38 TYR u CG 1 +ATOM 45830 C CD1 . TYR GA 15 38 ? -2.977 52.495 -35.295 1.00 62.11 ? 38 TYR u CD1 1 +ATOM 45831 C CD2 . TYR GA 15 38 ? -4.444 50.626 -35.473 1.00 62.02 ? 38 TYR u CD2 1 +ATOM 45832 C CE1 . TYR GA 15 38 ? -2.000 51.802 -35.987 1.00 60.12 ? 38 TYR u CE1 1 +ATOM 45833 C CE2 . TYR GA 15 38 ? -3.474 49.922 -36.165 1.00 63.11 ? 38 TYR u CE2 1 +ATOM 45834 C CZ . TYR GA 15 38 ? -2.260 50.522 -36.417 1.00 67.22 ? 38 TYR u CZ 1 +ATOM 45835 O OH . TYR GA 15 38 ? -1.290 49.839 -37.096 1.00 90.49 ? 38 TYR u OH 1 +ATOM 45836 N N . ARG GA 15 39 ? -5.801 54.813 -31.935 1.00 69.03 ? 39 ARG u N 1 +ATOM 45837 C CA . ARG GA 15 39 ? -6.716 55.673 -31.200 1.00 66.38 ? 39 ARG u CA 1 +ATOM 45838 C C . ARG GA 15 39 ? -8.134 55.580 -31.747 1.00 66.21 ? 39 ARG u C 1 +ATOM 45839 O O . ARG GA 15 39 ? -8.353 55.648 -32.960 1.00 67.86 ? 39 ARG u O 1 +ATOM 45840 C CB . ARG GA 15 39 ? -6.233 57.120 -31.275 1.00 72.59 ? 39 ARG u CB 1 +ATOM 45841 C CG . ARG GA 15 39 ? -7.067 58.080 -30.423 1.00 87.08 ? 39 ARG u CG 1 +ATOM 45842 C CD . ARG GA 15 39 ? -6.580 59.507 -30.569 1.00 85.44 ? 39 ARG u CD 1 +ATOM 45843 N NE . ARG GA 15 39 ? -5.126 59.571 -30.508 1.00 82.85 ? 39 ARG u NE 1 +ATOM 45844 C CZ . ARG GA 15 39 ? -4.427 59.591 -29.380 1.00 98.50 ? 39 ARG u CZ 1 +ATOM 45845 N NH1 . ARG GA 15 39 ? -5.024 59.571 -28.195 1.00 72.40 ? 39 ARG u NH1 1 +ATOM 45846 N NH2 . ARG GA 15 39 ? -3.097 59.633 -29.439 1.00 83.39 ? 39 ARG u NH2 1 +ATOM 45847 N N . GLY GA 15 40 ? -9.099 55.434 -30.846 1.00 63.77 ? 40 GLY u N 1 +ATOM 45848 C CA . GLY GA 15 40 ? -10.490 55.605 -31.191 1.00 66.17 ? 40 GLY u CA 1 +ATOM 45849 C C . GLY GA 15 40 ? -11.230 54.365 -31.632 1.00 68.62 ? 40 GLY u C 1 +ATOM 45850 O O . GLY GA 15 40 ? -12.466 54.408 -31.718 1.00 68.22 ? 40 GLY u O 1 +ATOM 45851 N N . LEU GA 15 41 ? -10.538 53.252 -31.882 1.00 65.67 ? 41 LEU u N 1 +ATOM 45852 C CA . LEU GA 15 41 ? -11.180 52.078 -32.463 1.00 66.88 ? 41 LEU u CA 1 +ATOM 45853 C C . LEU GA 15 41 ? -11.820 51.152 -31.433 1.00 65.21 ? 41 LEU u C 1 +ATOM 45854 O O . LEU GA 15 41 ? -12.753 50.411 -31.774 1.00 66.54 ? 41 LEU u O 1 +ATOM 45855 C CB . LEU GA 15 41 ? -10.160 51.287 -33.283 1.00 56.52 ? 41 LEU u CB 1 +ATOM 45856 C CG . LEU GA 15 41 ? -9.601 51.971 -34.528 1.00 75.84 ? 41 LEU u CG 1 +ATOM 45857 C CD1 . LEU GA 15 41 ? -8.547 51.090 -35.224 1.00 67.69 ? 41 LEU u CD1 1 +ATOM 45858 C CD2 . LEU GA 15 41 ? -10.737 52.318 -35.497 1.00 65.43 ? 41 LEU u CD2 1 +ATOM 45859 N N . TYR GA 15 42 ? -11.342 51.146 -30.193 1.00 64.57 ? 42 TYR u N 1 +ATOM 45860 C CA . TYR GA 15 42 ? -11.748 50.120 -29.236 1.00 59.29 ? 42 TYR u CA 1 +ATOM 45861 C C . TYR GA 15 42 ? -12.382 50.784 -28.024 1.00 60.99 ? 42 TYR u C 1 +ATOM 45862 O O . TYR GA 15 42 ? -11.800 51.723 -27.459 1.00 60.27 ? 42 TYR u O 1 +ATOM 45863 C CB . TYR GA 15 42 ? -10.538 49.255 -28.814 1.00 56.06 ? 42 TYR u CB 1 +ATOM 45864 C CG . TYR GA 15 42 ? -10.838 48.128 -27.839 1.00 57.61 ? 42 TYR u CG 1 +ATOM 45865 C CD1 . TYR GA 15 42 ? -10.984 48.371 -26.469 1.00 52.72 ? 42 TYR u CD1 1 +ATOM 45866 C CD2 . TYR GA 15 42 ? -10.944 46.814 -28.283 1.00 64.31 ? 42 TYR u CD2 1 +ATOM 45867 C CE1 . TYR GA 15 42 ? -11.255 47.333 -25.582 1.00 65.07 ? 42 TYR u CE1 1 +ATOM 45868 C CE2 . TYR GA 15 42 ? -11.211 45.767 -27.403 1.00 67.30 ? 42 TYR u CE2 1 +ATOM 45869 C CZ . TYR GA 15 42 ? -11.356 46.032 -26.062 1.00 70.93 ? 42 TYR u CZ 1 +ATOM 45870 O OH . TYR GA 15 42 ? -11.623 44.986 -25.218 1.00 67.64 ? 42 TYR u OH 1 +ATOM 45871 N N . PRO GA 15 43 ? -13.539 50.301 -27.559 1.00 59.91 ? 43 PRO u N 1 +ATOM 45872 C CA . PRO GA 15 43 ? -14.161 49.061 -28.039 1.00 71.07 ? 43 PRO u CA 1 +ATOM 45873 C C . PRO GA 15 43 ? -15.315 49.192 -29.046 1.00 63.34 ? 43 PRO u C 1 +ATOM 45874 O O . PRO GA 15 43 ? -15.699 48.186 -29.647 1.00 63.09 ? 43 PRO u O 1 +ATOM 45875 C CB . PRO GA 15 43 ? -14.701 48.463 -26.739 1.00 69.59 ? 43 PRO u CB 1 +ATOM 45876 C CG . PRO GA 15 43 ? -15.175 49.690 -26.006 1.00 58.91 ? 43 PRO u CG 1 +ATOM 45877 C CD . PRO GA 15 43 ? -14.106 50.721 -26.267 1.00 53.86 ? 43 PRO u CD 1 +ATOM 45878 N N . THR GA 15 44 ? -15.885 50.391 -29.180 1.00 66.15 ? 44 THR u N 1 +ATOM 45879 C CA . THR GA 15 44 ? -17.148 50.554 -29.897 1.00 59.23 ? 44 THR u CA 1 +ATOM 45880 C C . THR GA 15 44 ? -17.002 50.212 -31.374 1.00 65.56 ? 44 THR u C 1 +ATOM 45881 O O . THR GA 15 44 ? -17.750 49.379 -31.911 1.00 63.85 ? 44 THR u O 1 +ATOM 45882 C CB . THR GA 15 44 ? -17.642 51.993 -29.738 1.00 74.50 ? 44 THR u CB 1 +ATOM 45883 O OG1 . THR GA 15 44 ? -17.649 52.333 -28.351 1.00 64.08 ? 44 THR u OG1 1 +ATOM 45884 C CG2 . THR GA 15 44 ? -19.042 52.175 -30.340 1.00 63.88 ? 44 THR u CG2 1 +ATOM 45885 N N . LEU GA 15 45 ? -16.040 50.839 -32.055 1.00 54.68 ? 45 LEU u N 1 +ATOM 45886 C CA . LEU GA 15 45 ? -15.908 50.580 -33.487 1.00 61.19 ? 45 LEU u CA 1 +ATOM 45887 C C . LEU GA 15 45 ? -15.439 49.152 -33.749 1.00 69.23 ? 45 LEU u C 1 +ATOM 45888 O O . LEU GA 15 45 ? -15.900 48.504 -34.702 1.00 65.69 ? 45 LEU u O 1 +ATOM 45889 C CB . LEU GA 15 45 ? -14.959 51.593 -34.120 1.00 58.53 ? 45 LEU u CB 1 +ATOM 45890 C CG . LEU GA 15 45 ? -15.632 52.935 -34.429 1.00 73.64 ? 45 LEU u CG 1 +ATOM 45891 C CD1 . LEU GA 15 45 ? -14.641 53.900 -35.077 1.00 67.05 ? 45 LEU u CD1 1 +ATOM 45892 C CD2 . LEU GA 15 45 ? -16.861 52.721 -35.324 1.00 70.61 ? 45 LEU u CD2 1 +ATOM 45893 N N . ALA GA 15 46 ? -14.538 48.642 -32.903 1.00 64.47 ? 46 ALA u N 1 +ATOM 45894 C CA . ALA GA 15 46 ? -14.085 47.259 -33.018 1.00 62.64 ? 46 ALA u CA 1 +ATOM 45895 C C . ALA GA 15 46 ? -15.267 46.288 -33.002 1.00 61.94 ? 46 ALA u C 1 +ATOM 45896 O O . ALA GA 15 46 ? -15.354 45.372 -33.830 1.00 56.79 ? 46 ALA u O 1 +ATOM 45897 C CB . ALA GA 15 46 ? -13.110 46.954 -31.883 1.00 59.31 ? 46 ALA u CB 1 +ATOM 45898 N N . LYS GA 15 47 ? -16.203 46.494 -32.076 1.00 60.79 ? 47 LYS u N 1 +ATOM 45899 C CA . LYS GA 15 47 ? -17.408 45.667 -32.037 1.00 64.25 ? 47 LYS u CA 1 +ATOM 45900 C C . LYS GA 15 47 ? -18.158 45.722 -33.367 1.00 62.25 ? 47 LYS u C 1 +ATOM 45901 O O . LYS GA 15 47 ? -18.457 44.681 -33.969 1.00 67.47 ? 47 LYS u O 1 +ATOM 45902 C CB . LYS GA 15 47 ? -18.293 46.134 -30.882 1.00 60.84 ? 47 LYS u CB 1 +ATOM 45903 C CG . LYS GA 15 47 ? -19.677 45.528 -30.841 1.00 67.17 ? 47 LYS u CG 1 +ATOM 45904 C CD . LYS GA 15 47 ? -20.380 45.977 -29.558 1.00 68.76 ? 47 LYS u CD 1 +ATOM 45905 C CE . LYS GA 15 47 ? -21.762 45.353 -29.465 1.00 91.48 ? 47 LYS u CE 1 +ATOM 45906 N NZ . LYS GA 15 47 ? -22.422 45.615 -28.157 1.00 99.82 ? 47 LYS u NZ 1 +ATOM 45907 N N . LEU GA 15 48 ? -18.442 46.941 -33.854 1.00 68.69 ? 48 LEU u N 1 +ATOM 45908 C CA . LEU GA 15 48 ? -19.201 47.110 -35.094 1.00 67.33 ? 48 LEU u CA 1 +ATOM 45909 C C . LEU GA 15 48 ? -18.488 46.464 -36.278 1.00 57.80 ? 48 LEU u C 1 +ATOM 45910 O O . LEU GA 15 48 ? -19.127 45.817 -37.117 1.00 58.48 ? 48 LEU u O 1 +ATOM 45911 C CB . LEU GA 15 48 ? -19.448 48.603 -35.353 1.00 64.23 ? 48 LEU u CB 1 +ATOM 45912 C CG . LEU GA 15 48 ? -20.395 49.255 -34.341 1.00 67.52 ? 48 LEU u CG 1 +ATOM 45913 C CD1 . LEU GA 15 48 ? -20.459 50.752 -34.512 1.00 63.20 ? 48 LEU u CD1 1 +ATOM 45914 C CD2 . LEU GA 15 48 ? -21.773 48.650 -34.458 1.00 67.93 ? 48 LEU u CD2 1 +ATOM 45915 N N . ILE GA 15 49 ? -17.160 46.608 -36.348 1.00 59.76 ? 49 ILE u N 1 +ATOM 45916 C CA . ILE GA 15 49 ? -16.397 46.029 -37.453 1.00 56.54 ? 49 ILE u CA 1 +ATOM 45917 C C . ILE GA 15 49 ? -16.500 44.509 -37.437 1.00 68.07 ? 49 ILE u C 1 +ATOM 45918 O O . ILE GA 15 49 ? -16.818 43.879 -38.455 1.00 60.73 ? 49 ILE u O 1 +ATOM 45919 C CB . ILE GA 15 49 ? -14.933 46.506 -37.393 1.00 66.83 ? 49 ILE u CB 1 +ATOM 45920 C CG1 . ILE GA 15 49 ? -14.862 48.030 -37.583 1.00 64.21 ? 49 ILE u CG1 1 +ATOM 45921 C CG2 . ILE GA 15 49 ? -14.080 45.809 -38.442 1.00 57.35 ? 49 ILE u CG2 1 +ATOM 45922 C CD1 . ILE GA 15 49 ? -13.459 48.589 -37.453 1.00 58.39 ? 49 ILE u CD1 1 +ATOM 45923 N N . VAL GA 15 50 ? -16.239 43.894 -36.278 1.00 69.06 ? 50 VAL u N 1 +ATOM 45924 C CA . VAL GA 15 50 ? -16.271 42.434 -36.179 1.00 62.95 ? 50 VAL u CA 1 +ATOM 45925 C C . VAL GA 15 50 ? -17.686 41.913 -36.396 1.00 50.54 ? 50 VAL u C 1 +ATOM 45926 O O . VAL GA 15 50 ? -17.893 40.916 -37.088 1.00 58.98 ? 50 VAL u O 1 +ATOM 45927 C CB . VAL GA 15 50 ? -15.703 41.989 -34.814 1.00 63.48 ? 50 VAL u CB 1 +ATOM 45928 C CG1 . VAL GA 15 50 ? -15.850 40.479 -34.639 1.00 52.99 ? 50 VAL u CG1 1 +ATOM 45929 C CG2 . VAL GA 15 50 ? -14.254 42.417 -34.692 1.00 55.03 ? 50 VAL u CG2 1 +ATOM 45930 N N . LYS GA 15 51 ? -18.683 42.589 -35.827 1.00 63.03 ? 51 LYS u N 1 +ATOM 45931 C CA . LYS GA 15 51 ? -20.069 42.177 -36.023 1.00 59.11 ? 51 LYS u CA 1 +ATOM 45932 C C . LYS GA 15 51 ? -20.465 42.130 -37.496 1.00 77.96 ? 51 LYS u C 1 +ATOM 45933 O O . LYS GA 15 51 ? -21.278 41.281 -37.886 1.00 63.90 ? 51 LYS u O 1 +ATOM 45934 C CB . LYS GA 15 51 ? -20.996 43.134 -35.280 1.00 70.34 ? 51 LYS u CB 1 +ATOM 45935 C CG . LYS GA 15 51 ? -22.174 42.466 -34.601 1.00 105.45 ? 51 LYS u CG 1 +ATOM 45936 C CD . LYS GA 15 51 ? -21.738 41.549 -33.444 1.00 88.59 ? 51 LYS u CD 1 +ATOM 45937 C CE . LYS GA 15 51 ? -22.957 41.061 -32.677 1.00 98.85 ? 51 LYS u CE 1 +ATOM 45938 N NZ . LYS GA 15 51 ? -22.768 39.706 -32.080 1.00 85.33 ? 51 LYS u NZ 1 +ATOM 45939 N N . ASN GA 15 52 ? -19.922 43.031 -38.329 1.00 60.99 ? 52 ASN u N 1 +ATOM 45940 C CA . ASN GA 15 52 ? -20.406 43.181 -39.702 1.00 72.89 ? 52 ASN u CA 1 +ATOM 45941 C C . ASN GA 15 52 ? -19.480 42.580 -40.748 1.00 68.59 ? 52 ASN u C 1 +ATOM 45942 O O . ASN GA 15 52 ? -19.807 42.632 -41.935 1.00 69.34 ? 52 ASN u O 1 +ATOM 45943 C CB . ASN GA 15 52 ? -20.675 44.665 -40.017 1.00 58.09 ? 52 ASN u CB 1 +ATOM 45944 C CG . ASN GA 15 52 ? -21.843 45.213 -39.208 1.00 65.13 ? 52 ASN u CG 1 +ATOM 45945 O OD1 . ASN GA 15 52 ? -22.992 45.123 -39.628 1.00 71.37 ? 52 ASN u OD1 1 +ATOM 45946 N ND2 . ASN GA 15 52 ? -21.555 45.744 -38.019 1.00 66.44 ? 52 ASN u ND2 1 +ATOM 45947 N N . ALA GA 15 53 ? -18.356 41.980 -40.343 1.00 69.78 ? 53 ALA u N 1 +ATOM 45948 C CA . ALA GA 15 53 ? -17.511 41.242 -41.274 1.00 59.15 ? 53 ALA u CA 1 +ATOM 45949 C C . ALA GA 15 53 ? -18.299 40.092 -41.906 1.00 57.17 ? 53 ALA u C 1 +ATOM 45950 O O . ALA GA 15 53 ? -19.368 39.719 -41.422 1.00 62.37 ? 53 ALA u O 1 +ATOM 45951 C CB . ALA GA 15 53 ? -16.265 40.724 -40.548 1.00 54.65 ? 53 ALA u CB 1 +ATOM 45952 N N . PRO GA 15 54 ? -17.819 39.540 -43.032 1.00 63.63 ? 54 PRO u N 1 +ATOM 45953 C CA . PRO GA 15 54 ? -16.654 39.968 -43.808 1.00 65.43 ? 54 PRO u CA 1 +ATOM 45954 C C . PRO GA 15 54 ? -16.957 41.097 -44.788 1.00 76.48 ? 54 PRO u C 1 +ATOM 45955 O O . PRO GA 15 54 ? -18.111 41.457 -45.032 1.00 63.09 ? 54 PRO u O 1 +ATOM 45956 C CB . PRO GA 15 54 ? -16.251 38.704 -44.553 1.00 57.28 ? 54 PRO u CB 1 +ATOM 45957 C CG . PRO GA 15 54 ? -17.529 37.964 -44.719 1.00 59.95 ? 54 PRO u CG 1 +ATOM 45958 C CD . PRO GA 15 54 ? -18.383 38.276 -43.541 1.00 55.11 ? 54 PRO u CD 1 +ATOM 45959 N N . TYR GA 15 55 ? -15.866 41.619 -45.339 1.00 58.99 ? 55 TYR u N 1 +ATOM 45960 C CA . TYR GA 15 55 ? -15.825 42.765 -46.226 1.00 63.09 ? 55 TYR u CA 1 +ATOM 45961 C C . TYR GA 15 55 ? -15.097 42.334 -47.482 1.00 67.27 ? 55 TYR u C 1 +ATOM 45962 O O . TYR GA 15 55 ? -14.105 41.605 -47.400 1.00 63.03 ? 55 TYR u O 1 +ATOM 45963 C CB . TYR GA 15 55 ? -15.089 43.951 -45.564 1.00 52.33 ? 55 TYR u CB 1 +ATOM 45964 C CG . TYR GA 15 55 ? -15.688 44.337 -44.228 1.00 65.80 ? 55 TYR u CG 1 +ATOM 45965 C CD1 . TYR GA 15 55 ? -16.800 45.157 -44.163 1.00 53.32 ? 55 TYR u CD1 1 +ATOM 45966 C CD2 . TYR GA 15 55 ? -15.159 43.849 -43.026 1.00 61.58 ? 55 TYR u CD2 1 +ATOM 45967 C CE1 . TYR GA 15 55 ? -17.370 45.505 -42.940 1.00 59.67 ? 55 TYR u CE1 1 +ATOM 45968 C CE2 . TYR GA 15 55 ? -15.716 44.195 -41.804 1.00 59.71 ? 55 TYR u CE2 1 +ATOM 45969 C CZ . TYR GA 15 55 ? -16.828 45.017 -41.769 1.00 59.87 ? 55 TYR u CZ 1 +ATOM 45970 O OH . TYR GA 15 55 ? -17.401 45.366 -40.568 1.00 56.88 ? 55 TYR u OH 1 +ATOM 45971 N N . GLU GA 15 56 ? -15.587 42.779 -48.643 1.00 67.89 ? 56 GLU u N 1 +ATOM 45972 C CA . GLU GA 15 56 ? -14.862 42.509 -49.881 1.00 72.71 ? 56 GLU u CA 1 +ATOM 45973 C C . GLU GA 15 56 ? -13.620 43.372 -50.009 1.00 60.46 ? 56 GLU u C 1 +ATOM 45974 O O . GLU GA 15 56 ? -12.619 42.943 -50.584 1.00 70.32 ? 56 GLU u O 1 +ATOM 45975 C CB . GLU GA 15 56 ? -15.762 42.728 -51.086 1.00 69.26 ? 56 GLU u CB 1 +ATOM 45976 C CG . GLU GA 15 56 ? -16.966 41.825 -51.126 1.00 110.71 ? 56 GLU u CG 1 +ATOM 45977 C CD . GLU GA 15 56 ? -17.702 41.924 -52.451 1.00 140.47 ? 56 GLU u CD 1 +ATOM 45978 O OE1 . GLU GA 15 56 ? -17.223 42.671 -53.341 1.00 114.76 ? 56 GLU u OE1 1 +ATOM 45979 O OE2 . GLU GA 15 56 ? -18.751 41.253 -52.599 1.00 149.16 ? 56 GLU u OE2 1 +ATOM 45980 N N . SER GA 15 57 ? -13.654 44.583 -49.481 1.00 68.74 ? 57 SER u N 1 +ATOM 45981 C CA . SER GA 15 57 ? -12.496 45.452 -49.562 1.00 58.38 ? 57 SER u CA 1 +ATOM 45982 C C . SER GA 15 57 ? -12.498 46.313 -48.319 1.00 62.18 ? 57 SER u C 1 +ATOM 45983 O O . SER GA 15 57 ? -13.530 46.466 -47.656 1.00 62.92 ? 57 SER u O 1 +ATOM 45984 C CB . SER GA 15 57 ? -12.522 46.293 -50.845 1.00 69.78 ? 57 SER u CB 1 +ATOM 45985 O OG . SER GA 15 57 ? -13.717 47.051 -50.906 1.00 77.01 ? 57 SER u OG 1 +ATOM 45986 N N . VAL GA 15 58 ? -11.325 46.879 -48.014 1.00 58.15 ? 58 VAL u N 1 +ATOM 45987 C CA . VAL GA 15 58 ? -11.174 47.688 -46.807 1.00 60.33 ? 58 VAL u CA 1 +ATOM 45988 C C . VAL GA 15 58 ? -12.227 48.786 -46.738 1.00 65.35 ? 58 VAL u C 1 +ATOM 45989 O O . VAL GA 15 58 ? -12.812 49.042 -45.675 1.00 63.67 ? 58 VAL u O 1 +ATOM 45990 C CB . VAL GA 15 58 ? -9.752 48.272 -46.732 1.00 68.13 ? 58 VAL u CB 1 +ATOM 45991 C CG1 . VAL GA 15 58 ? -9.656 49.260 -45.561 1.00 72.00 ? 58 VAL u CG1 1 +ATOM 45992 C CG2 . VAL GA 15 58 ? -8.737 47.161 -46.548 1.00 68.42 ? 58 VAL u CG2 1 +ATOM 45993 N N . GLU GA 15 59 ? -12.488 49.459 -47.862 1.00 56.67 ? 59 GLU u N 1 +ATOM 45994 C CA . GLU GA 15 59 ? -13.321 50.655 -47.791 1.00 61.06 ? 59 GLU u CA 1 +ATOM 45995 C C . GLU GA 15 59 ? -14.789 50.317 -47.560 1.00 58.09 ? 59 GLU u C 1 +ATOM 45996 O O . GLU GA 15 59 ? -15.549 51.195 -47.139 1.00 65.40 ? 59 GLU u O 1 +ATOM 45997 C CB . GLU GA 15 59 ? -13.131 51.534 -49.042 1.00 55.66 ? 59 GLU u CB 1 +ATOM 45998 C CG . GLU GA 15 59 ? -13.481 50.868 -50.365 1.00 72.89 ? 59 GLU u CG 1 +ATOM 45999 C CD . GLU GA 15 59 ? -12.283 50.204 -51.030 1.00 76.51 ? 59 GLU u CD 1 +ATOM 46000 O OE1 . GLU GA 15 59 ? -11.213 50.108 -50.394 1.00 73.75 ? 59 GLU u OE1 1 +ATOM 46001 O OE2 . GLU GA 15 59 ? -12.412 49.796 -52.207 1.00 87.18 ? 59 GLU u OE2 1 +ATOM 46002 N N . ASP GA 15 60 ? -15.188 49.057 -47.750 1.00 58.15 ? 60 ASP u N 1 +ATOM 46003 C CA . ASP GA 15 60 ? -16.535 48.625 -47.376 1.00 60.70 ? 60 ASP u CA 1 +ATOM 46004 C C . ASP GA 15 60 ? -16.823 48.803 -45.891 1.00 59.11 ? 60 ASP u C 1 +ATOM 46005 O O . ASP GA 15 60 ? -17.992 48.830 -45.490 1.00 67.18 ? 60 ASP u O 1 +ATOM 46006 C CB . ASP GA 15 60 ? -16.732 47.163 -47.773 1.00 66.59 ? 60 ASP u CB 1 +ATOM 46007 C CG . ASP GA 15 60 ? -16.912 47.005 -49.266 1.00 79.22 ? 60 ASP u CG 1 +ATOM 46008 O OD1 . ASP GA 15 60 ? -17.805 47.679 -49.825 1.00 73.26 ? 60 ASP u OD1 1 +ATOM 46009 O OD2 . ASP GA 15 60 ? -16.145 46.243 -49.882 1.00 83.13 ? 60 ASP u OD2 1 +ATOM 46010 N N . VAL GA 15 61 ? -15.791 48.937 -45.061 1.00 60.07 ? 61 VAL u N 1 +ATOM 46011 C CA . VAL GA 15 61 ? -16.034 49.165 -43.644 1.00 65.33 ? 61 VAL u CA 1 +ATOM 46012 C C . VAL GA 15 61 ? -16.730 50.507 -43.411 1.00 68.62 ? 61 VAL u C 1 +ATOM 46013 O O . VAL GA 15 61 ? -17.430 50.672 -42.403 1.00 64.88 ? 61 VAL u O 1 +ATOM 46014 C CB . VAL GA 15 61 ? -14.704 49.061 -42.865 1.00 68.59 ? 61 VAL u CB 1 +ATOM 46015 C CG1 . VAL GA 15 61 ? -13.898 50.356 -43.008 1.00 64.79 ? 61 VAL u CG1 1 +ATOM 46016 C CG2 . VAL GA 15 61 ? -14.959 48.709 -41.383 1.00 62.58 ? 61 VAL u CG2 1 +ATOM 46017 N N . LEU GA 15 62 ? -16.580 51.469 -44.341 1.00 64.88 ? 62 LEU u N 1 +ATOM 46018 C CA . LEU GA 15 62 ? -17.229 52.777 -44.193 1.00 71.05 ? 62 LEU u CA 1 +ATOM 46019 C C . LEU GA 15 62 ? -18.742 52.690 -44.326 1.00 62.88 ? 62 LEU u C 1 +ATOM 46020 O O . LEU GA 15 62 ? -19.437 53.647 -43.958 1.00 61.27 ? 62 LEU u O 1 +ATOM 46021 C CB . LEU GA 15 62 ? -16.705 53.773 -45.238 1.00 67.42 ? 62 LEU u CB 1 +ATOM 46022 C CG . LEU GA 15 62 ? -15.199 54.005 -45.265 1.00 69.19 ? 62 LEU u CG 1 +ATOM 46023 C CD1 . LEU GA 15 62 ? -14.809 54.885 -46.422 1.00 64.35 ? 62 LEU u CD1 1 +ATOM 46024 C CD2 . LEU GA 15 62 ? -14.794 54.627 -43.962 1.00 61.47 ? 62 LEU u CD2 1 +ATOM 46025 N N . ASN GA 15 63 ? -19.251 51.570 -44.844 1.00 63.44 ? 63 ASN u N 1 +ATOM 46026 C CA . ASN GA 15 63 ? -20.657 51.392 -45.175 1.00 59.95 ? 63 ASN u CA 1 +ATOM 46027 C C . ASN GA 15 63 ? -21.434 50.633 -44.116 1.00 68.45 ? 63 ASN u C 1 +ATOM 46028 O O . ASN GA 15 63 ? -22.582 50.255 -44.373 1.00 67.37 ? 63 ASN u O 1 +ATOM 46029 C CB . ASN GA 15 63 ? -20.795 50.662 -46.513 1.00 57.82 ? 63 ASN u CB 1 +ATOM 46030 C CG . ASN GA 15 63 ? -20.371 51.522 -47.705 1.00 65.73 ? 63 ASN u CG 1 +ATOM 46031 O OD1 . ASN GA 15 63 ? -20.079 52.701 -47.565 1.00 70.84 ? 63 ASN u OD1 1 +ATOM 46032 N ND2 . ASN GA 15 63 ? -20.350 50.926 -48.881 1.00 62.52 ? 63 ASN u ND2 1 +ATOM 46033 N N . ILE GA 15 64 ? -20.833 50.385 -42.952 1.00 70.24 ? 64 ILE u N 1 +ATOM 46034 C CA . ILE GA 15 64 ? -21.545 49.708 -41.859 1.00 69.19 ? 64 ILE u CA 1 +ATOM 46035 C C . ILE GA 15 64 ? -22.766 50.530 -41.473 1.00 67.32 ? 64 ILE u C 1 +ATOM 46036 O O . ILE GA 15 64 ? -22.628 51.726 -41.159 1.00 72.58 ? 64 ILE u O 1 +ATOM 46037 C CB . ILE GA 15 64 ? -20.626 49.521 -40.639 1.00 70.36 ? 64 ILE u CB 1 +ATOM 46038 C CG1 . ILE GA 15 64 ? -19.480 48.564 -40.948 1.00 69.68 ? 64 ILE u CG1 1 +ATOM 46039 C CG2 . ILE GA 15 64 ? -21.430 49.008 -39.462 1.00 68.23 ? 64 ILE u CG2 1 +ATOM 46040 C CD1 . ILE GA 15 64 ? -18.371 48.633 -39.920 1.00 68.71 ? 64 ILE u CD1 1 +ATOM 46041 N N . PRO GA 15 65 ? -23.963 49.951 -41.443 1.00 70.46 ? 65 PRO u N 1 +ATOM 46042 C CA . PRO GA 15 65 ? -25.146 50.728 -41.049 1.00 82.86 ? 65 PRO u CA 1 +ATOM 46043 C C . PRO GA 15 65 ? -25.018 51.247 -39.625 1.00 76.09 ? 65 PRO u C 1 +ATOM 46044 O O . PRO GA 15 65 ? -24.464 50.581 -38.748 1.00 76.58 ? 65 PRO u O 1 +ATOM 46045 C CB . PRO GA 15 65 ? -26.298 49.722 -41.176 1.00 81.53 ? 65 PRO u CB 1 +ATOM 46046 C CG . PRO GA 15 65 ? -25.753 48.581 -41.958 1.00 81.26 ? 65 PRO u CG 1 +ATOM 46047 C CD . PRO GA 15 65 ? -24.285 48.540 -41.701 1.00 74.32 ? 65 PRO u CD 1 +ATOM 46048 N N . GLY GA 15 66 ? -25.501 52.469 -39.415 1.00 88.87 ? 66 GLY u N 1 +ATOM 46049 C CA . GLY GA 15 66 ? -25.556 53.065 -38.099 1.00 78.00 ? 66 GLY u CA 1 +ATOM 46050 C C . GLY GA 15 66 ? -24.287 53.721 -37.603 1.00 82.07 ? 66 GLY u C 1 +ATOM 46051 O O . GLY GA 15 66 ? -24.257 54.149 -36.441 1.00 81.52 ? 66 GLY u O 1 +ATOM 46052 N N . LEU GA 15 67 ? -23.234 53.804 -38.418 1.00 76.52 ? 67 LEU u N 1 +ATOM 46053 C CA . LEU GA 15 67 ? -22.072 54.590 -38.016 1.00 71.86 ? 67 LEU u CA 1 +ATOM 46054 C C . LEU GA 15 67 ? -22.469 56.048 -37.856 1.00 69.18 ? 67 LEU u C 1 +ATOM 46055 O O . LEU GA 15 67 ? -23.321 56.555 -38.584 1.00 83.49 ? 67 LEU u O 1 +ATOM 46056 C CB . LEU GA 15 67 ? -20.952 54.476 -39.046 1.00 65.41 ? 67 LEU u CB 1 +ATOM 46057 C CG . LEU GA 15 67 ? -20.306 53.105 -39.231 1.00 70.12 ? 67 LEU u CG 1 +ATOM 46058 C CD1 . LEU GA 15 67 ? -19.255 53.208 -40.306 1.00 65.36 ? 67 LEU u CD1 1 +ATOM 46059 C CD2 . LEU GA 15 67 ? -19.700 52.628 -37.924 1.00 60.73 ? 67 LEU u CD2 1 +ATOM 46060 N N . THR GA 15 68 ? -21.879 56.714 -36.874 1.00 83.53 ? 68 THR u N 1 +ATOM 46061 C CA . THR GA 15 68 ? -22.007 58.157 -36.809 1.00 67.49 ? 68 THR u CA 1 +ATOM 46062 C C . THR GA 15 68 ? -21.038 58.791 -37.792 1.00 76.38 ? 68 THR u C 1 +ATOM 46063 O O . THR GA 15 68 ? -20.166 58.123 -38.362 1.00 69.11 ? 68 THR u O 1 +ATOM 46064 C CB . THR GA 15 68 ? -21.723 58.700 -35.399 1.00 68.97 ? 68 THR u CB 1 +ATOM 46065 O OG1 . THR GA 15 68 ? -20.351 58.471 -35.050 1.00 69.65 ? 68 THR u OG1 1 +ATOM 46066 C CG2 . THR GA 15 68 ? -22.624 58.061 -34.388 1.00 62.00 ? 68 THR u CG2 1 +ATOM 46067 N N . GLU GA 15 69 ? -21.182 60.110 -37.956 1.00 71.73 ? 69 GLU u N 1 +ATOM 46068 C CA . GLU GA 15 69 ? -20.287 60.841 -38.835 1.00 70.01 ? 69 GLU u CA 1 +ATOM 46069 C C . GLU GA 15 69 ? -18.883 60.916 -38.251 1.00 62.91 ? 69 GLU u C 1 +ATOM 46070 O O . GLU GA 15 69 ? -17.894 60.812 -38.988 1.00 70.61 ? 69 GLU u O 1 +ATOM 46071 C CB . GLU GA 15 69 ? -20.861 62.238 -39.118 1.00 75.28 ? 69 GLU u CB 1 +ATOM 46072 C CG . GLU GA 15 69 ? -22.207 62.230 -39.877 1.00 68.25 ? 69 GLU u CG 1 +ATOM 46073 C CD . GLU GA 15 69 ? -22.122 61.553 -41.257 1.00 85.11 ? 69 GLU u CD 1 +ATOM 46074 O OE1 . GLU GA 15 69 ? -21.096 61.708 -41.959 1.00 86.52 ? 69 GLU u OE1 1 +ATOM 46075 O OE2 . GLU GA 15 69 ? -23.072 60.841 -41.638 1.00 86.29 ? 69 GLU u OE2 1 +ATOM 46076 N N . ARG GA 15 70 ? -18.765 61.084 -36.933 1.00 66.43 ? 70 ARG u N 1 +ATOM 46077 C CA . ARG GA 15 70 ? -17.435 61.047 -36.331 1.00 68.01 ? 70 ARG u CA 1 +ATOM 46078 C C . ARG GA 15 70 ? -16.778 59.683 -36.544 1.00 74.48 ? 70 ARG u C 1 +ATOM 46079 O O . ARG GA 15 70 ? -15.581 59.600 -36.853 1.00 69.27 ? 70 ARG u O 1 +ATOM 46080 C CB . ARG GA 15 70 ? -17.520 61.404 -34.845 1.00 70.22 ? 70 ARG u CB 1 +ATOM 46081 C CG . ARG GA 15 70 ? -16.176 61.456 -34.108 1.00 71.41 ? 70 ARG u CG 1 +ATOM 46082 C CD . ARG GA 15 70 ? -15.137 62.297 -34.857 1.00 87.70 ? 70 ARG u CD 1 +ATOM 46083 N NE . ARG GA 15 70 ? -13.805 62.207 -34.255 1.00 123.62 ? 70 ARG u NE 1 +ATOM 46084 C CZ . ARG GA 15 70 ? -12.663 62.443 -34.895 1.00 118.86 ? 70 ARG u CZ 1 +ATOM 46085 N NH1 . ARG GA 15 70 ? -12.641 62.795 -36.173 1.00 109.32 ? 70 ARG u NH1 1 +ATOM 46086 N NH2 . ARG GA 15 70 ? -11.510 62.313 -34.238 1.00 111.23 ? 70 ARG u NH2 1 +ATOM 46087 N N . GLN GA 15 71 ? -17.558 58.602 -36.423 1.00 63.44 ? 71 GLN u N 1 +ATOM 46088 C CA . GLN GA 15 71 ? -16.992 57.263 -36.576 1.00 77.97 ? 71 GLN u CA 1 +ATOM 46089 C C . GLN GA 15 71 ? -16.460 57.035 -37.981 1.00 67.88 ? 71 GLN u C 1 +ATOM 46090 O O . GLN GA 15 71 ? -15.379 56.461 -38.150 1.00 66.58 ? 71 GLN u O 1 +ATOM 46091 C CB . GLN GA 15 71 ? -18.036 56.200 -36.208 1.00 72.69 ? 71 GLN u CB 1 +ATOM 46092 C CG . GLN GA 15 71 ? -18.266 56.123 -34.691 1.00 70.33 ? 71 GLN u CG 1 +ATOM 46093 C CD . GLN GA 15 71 ? -19.413 55.222 -34.313 1.00 82.54 ? 71 GLN u CD 1 +ATOM 46094 O OE1 . GLN GA 15 71 ? -20.369 55.052 -35.074 1.00 75.91 ? 71 GLN u OE1 1 +ATOM 46095 N NE2 . GLN GA 15 71 ? -19.326 54.629 -33.122 1.00 81.71 ? 71 GLN u NE2 1 +ATOM 46096 N N . LYS GA 15 72 ? -17.198 57.492 -38.999 1.00 73.04 ? 72 LYS u N 1 +ATOM 46097 C CA . LYS GA 15 72 ? -16.715 57.390 -40.377 1.00 67.98 ? 72 LYS u CA 1 +ATOM 46098 C C . LYS GA 15 72 ? -15.393 58.138 -40.571 1.00 54.77 ? 72 LYS u C 1 +ATOM 46099 O O . LYS GA 15 72 ? -14.511 57.678 -41.310 1.00 66.06 ? 72 LYS u O 1 +ATOM 46100 C CB . LYS GA 15 72 ? -17.784 57.901 -41.337 1.00 66.16 ? 72 LYS u CB 1 +ATOM 46101 C CG . LYS GA 15 72 ? -19.088 57.105 -41.325 1.00 61.21 ? 72 LYS u CG 1 +ATOM 46102 C CD . LYS GA 15 72 ? -20.150 57.860 -42.090 1.00 72.39 ? 72 LYS u CD 1 +ATOM 46103 C CE . LYS GA 15 72 ? -21.513 57.191 -42.066 1.00 79.43 ? 72 LYS u CE 1 +ATOM 46104 N NZ . LYS GA 15 72 ? -22.516 58.057 -42.797 1.00 74.84 ? 72 LYS u NZ 1 +ATOM 46105 N N . GLN GA 15 73 ? -15.222 59.275 -39.894 1.00 62.79 ? 73 GLN u N 1 +ATOM 46106 C CA . GLN GA 15 73 ? -13.961 60.006 -39.980 1.00 66.33 ? 73 GLN u CA 1 +ATOM 46107 C C . GLN GA 15 73 ? -12.831 59.244 -39.305 1.00 66.80 ? 73 GLN u C 1 +ATOM 46108 O O . GLN GA 15 73 ? -11.703 59.202 -39.816 1.00 63.36 ? 73 GLN u O 1 +ATOM 46109 C CB . GLN GA 15 73 ? -14.109 61.388 -39.350 1.00 66.19 ? 73 GLN u CB 1 +ATOM 46110 C CG . GLN GA 15 73 ? -15.124 62.255 -40.039 1.00 99.91 ? 73 GLN u CG 1 +ATOM 46111 C CD . GLN GA 15 73 ? -15.329 63.582 -39.314 1.00 94.16 ? 73 GLN u CD 1 +ATOM 46112 O OE1 . GLN GA 15 73 ? -14.622 63.894 -38.352 1.00 83.91 ? 73 GLN u OE1 1 +ATOM 46113 N NE2 . GLN GA 15 73 ? -16.312 64.356 -39.763 1.00 79.14 ? 73 GLN u NE2 1 +ATOM 46114 N N . ILE GA 15 74 ? -13.112 58.649 -38.147 1.00 70.19 ? 74 ILE u N 1 +ATOM 46115 C CA . ILE GA 15 74 ? -12.098 57.843 -37.478 1.00 69.50 ? 74 ILE u CA 1 +ATOM 46116 C C . ILE GA 15 74 ? -11.708 56.662 -38.360 1.00 63.29 ? 74 ILE u C 1 +ATOM 46117 O O . ILE GA 15 74 ? -10.518 56.381 -38.555 1.00 64.15 ? 74 ILE u O 1 +ATOM 46118 C CB . ILE GA 15 74 ? -12.605 57.397 -36.089 1.00 80.88 ? 74 ILE u CB 1 +ATOM 46119 C CG1 . ILE GA 15 74 ? -12.745 58.612 -35.167 1.00 80.09 ? 74 ILE u CG1 1 +ATOM 46120 C CG2 . ILE GA 15 74 ? -11.673 56.358 -35.488 1.00 74.14 ? 74 ILE u CG2 1 +ATOM 46121 C CD1 . ILE GA 15 74 ? -13.623 58.367 -33.955 1.00 76.64 ? 74 ILE u CD1 1 +ATOM 46122 N N . LEU GA 15 75 ? -12.701 55.985 -38.945 1.00 52.59 ? 75 LEU u N 1 +ATOM 46123 C CA . LEU GA 15 75 ? -12.389 54.890 -39.856 1.00 58.21 ? 75 LEU u CA 1 +ATOM 46124 C C . LEU GA 15 75 ? -11.503 55.352 -41.002 1.00 65.68 ? 75 LEU u C 1 +ATOM 46125 O O . LEU GA 15 75 ? -10.526 54.670 -41.335 1.00 64.99 ? 75 LEU u O 1 +ATOM 46126 C CB . LEU GA 15 75 ? -13.665 54.241 -40.388 1.00 64.50 ? 75 LEU u CB 1 +ATOM 46127 C CG . LEU GA 15 75 ? -14.390 53.410 -39.323 1.00 69.76 ? 75 LEU u CG 1 +ATOM 46128 C CD1 . LEU GA 15 75 ? -15.716 52.910 -39.859 1.00 70.71 ? 75 LEU u CD1 1 +ATOM 46129 C CD2 . LEU GA 15 75 ? -13.507 52.245 -38.879 1.00 59.30 ? 75 LEU u CD2 1 +ATOM 46130 N N . ARG GA 15 76 ? -11.805 56.520 -41.608 1.00 62.65 ? 76 ARG u N 1 +ATOM 46131 C CA . ARG GA 15 76 ? -11.027 56.947 -42.773 1.00 58.31 ? 76 ARG u CA 1 +ATOM 46132 C C . ARG GA 15 76 ? -9.578 57.257 -42.395 1.00 62.53 ? 76 ARG u C 1 +ATOM 46133 O O . ARG GA 15 76 ? -8.659 57.006 -43.183 1.00 63.48 ? 76 ARG u O 1 +ATOM 46134 C CB . ARG GA 15 76 ? -11.688 58.158 -43.454 1.00 61.98 ? 76 ARG u CB 1 +ATOM 46135 C CG . ARG GA 15 76 ? -12.920 57.834 -44.315 1.00 58.92 ? 76 ARG u CG 1 +ATOM 46136 C CD . ARG GA 15 76 ? -13.351 59.014 -45.183 1.00 59.65 ? 76 ARG u CD 1 +ATOM 46137 N NE . ARG GA 15 76 ? -14.124 59.989 -44.417 1.00 56.45 ? 76 ARG u NE 1 +ATOM 46138 C CZ . ARG GA 15 76 ? -15.424 59.871 -44.195 1.00 63.72 ? 76 ARG u CZ 1 +ATOM 46139 N NH1 . ARG GA 15 76 ? -16.115 58.854 -44.690 1.00 61.18 ? 76 ARG u NH1 1 +ATOM 46140 N NH2 . ARG GA 15 76 ? -16.042 60.779 -43.448 1.00 59.03 ? 76 ARG u NH2 1 +ATOM 46141 N N . GLU GA 15 77 ? -9.347 57.816 -41.202 1.00 58.79 ? 77 GLU u N 1 +ATOM 46142 C CA . GLU GA 15 77 ? -7.971 58.035 -40.756 1.00 73.59 ? 77 GLU u CA 1 +ATOM 46143 C C . GLU GA 15 77 ? -7.200 56.731 -40.580 1.00 76.43 ? 77 GLU u C 1 +ATOM 46144 O O . GLU GA 15 77 ? -5.961 56.746 -40.587 1.00 69.01 ? 77 GLU u O 1 +ATOM 46145 C CB . GLU GA 15 77 ? -7.929 58.773 -39.417 1.00 76.41 ? 77 GLU u CB 1 +ATOM 46146 C CG . GLU GA 15 77 ? -8.649 60.067 -39.347 1.00 87.42 ? 77 GLU u CG 1 +ATOM 46147 C CD . GLU GA 15 77 ? -8.167 60.885 -38.172 1.00 99.71 ? 77 GLU u CD 1 +ATOM 46148 O OE1 . GLU GA 15 77 ? -7.009 60.663 -37.755 1.00 94.31 ? 77 GLU u OE1 1 +ATOM 46149 O OE2 . GLU GA 15 77 ? -8.939 61.733 -37.669 1.00 104.21 ? 77 GLU u OE2 1 +ATOM 46150 N N . ASN GA 15 78 ? -7.897 55.612 -40.390 1.00 65.09 ? 78 ASN u N 1 +ATOM 46151 C CA . ASN GA 15 78 ? -7.249 54.347 -40.068 1.00 67.74 ? 78 ASN u CA 1 +ATOM 46152 C C . ASN GA 15 78 ? -7.303 53.316 -41.187 1.00 73.50 ? 78 ASN u C 1 +ATOM 46153 O O . ASN GA 15 78 ? -6.817 52.195 -40.982 1.00 68.21 ? 78 ASN u O 1 +ATOM 46154 C CB . ASN GA 15 78 ? -7.861 53.760 -38.789 1.00 59.77 ? 78 ASN u CB 1 +ATOM 46155 C CG . ASN GA 15 78 ? -7.453 54.532 -37.570 1.00 62.72 ? 78 ASN u CG 1 +ATOM 46156 O OD1 . ASN GA 15 78 ? -6.296 54.477 -37.165 1.00 72.86 ? 78 ASN u OD1 1 +ATOM 46157 N ND2 . ASN GA 15 78 ? -8.384 55.289 -36.993 1.00 66.67 ? 78 ASN u ND2 1 +ATOM 46158 N N . LEU GA 15 79 ? -7.847 53.659 -42.371 1.00 67.65 ? 79 LEU u N 1 +ATOM 46159 C CA . LEU GA 15 79 ? -7.925 52.672 -43.460 1.00 68.28 ? 79 LEU u CA 1 +ATOM 46160 C C . LEU GA 15 79 ? -6.549 52.171 -43.870 1.00 53.46 ? 79 LEU u C 1 +ATOM 46161 O O . LEU GA 15 79 ? -6.404 51.000 -44.233 1.00 66.62 ? 79 LEU u O 1 +ATOM 46162 C CB . LEU GA 15 79 ? -8.639 53.245 -44.689 1.00 60.91 ? 79 LEU u CB 1 +ATOM 46163 C CG . LEU GA 15 79 ? -10.133 53.584 -44.642 1.00 88.04 ? 79 LEU u CG 1 +ATOM 46164 C CD1 . LEU GA 15 79 ? -10.618 54.160 -45.983 1.00 75.17 ? 79 LEU u CD1 1 +ATOM 46165 C CD2 . LEU GA 15 79 ? -10.963 52.377 -44.257 1.00 78.57 ? 79 LEU u CD2 1 +ATOM 46166 N N . GLU GA 15 80 ? -5.528 53.030 -43.804 1.00 64.46 ? 80 GLU u N 1 +ATOM 46167 C CA . GLU GA 15 80 ? -4.163 52.607 -44.113 1.00 65.78 ? 80 GLU u CA 1 +ATOM 46168 C C . GLU GA 15 80 ? -3.699 51.456 -43.219 1.00 71.73 ? 80 GLU u C 1 +ATOM 46169 O O . GLU GA 15 80 ? -2.815 50.683 -43.610 1.00 65.03 ? 80 GLU u O 1 +ATOM 46170 C CB . GLU GA 15 80 ? -3.207 53.793 -43.960 1.00 69.80 ? 80 GLU u CB 1 +ATOM 46171 C CG . GLU GA 15 80 ? -3.200 54.391 -42.534 1.00 82.20 ? 80 GLU u CG 1 +ATOM 46172 C CD . GLU GA 15 80 ? -2.102 55.437 -42.321 1.00 93.48 ? 80 GLU u CD 1 +ATOM 46173 O OE1 . GLU GA 15 80 ? -1.031 55.323 -42.965 1.00 104.54 ? 80 GLU u OE1 1 +ATOM 46174 O OE2 . GLU GA 15 80 ? -2.310 56.372 -41.511 1.00 100.49 ? 80 GLU u OE2 1 +ATOM 46175 N N . HIS GA 15 81 ? -4.264 51.334 -42.020 1.00 59.92 ? 81 HIS u N 1 +ATOM 46176 C CA . HIS GA 15 81 ? -3.892 50.284 -41.083 1.00 68.76 ? 81 HIS u CA 1 +ATOM 46177 C C . HIS GA 15 81 ? -4.681 48.999 -41.282 1.00 64.83 ? 81 HIS u C 1 +ATOM 46178 O O . HIS GA 15 81 ? -4.396 48.012 -40.606 1.00 67.17 ? 81 HIS u O 1 +ATOM 46179 C CB . HIS GA 15 81 ? -4.079 50.781 -39.648 1.00 63.77 ? 81 HIS u CB 1 +ATOM 46180 C CG . HIS GA 15 81 ? -3.248 51.975 -39.324 1.00 75.24 ? 81 HIS u CG 1 +ATOM 46181 N ND1 . HIS GA 15 81 ? -3.746 53.074 -38.654 1.00 74.93 ? 81 HIS u ND1 1 +ATOM 46182 C CD2 . HIS GA 15 81 ? -1.951 52.249 -39.592 1.00 62.46 ? 81 HIS u CD2 1 +ATOM 46183 C CE1 . HIS GA 15 81 ? -2.785 53.969 -38.513 1.00 65.97 ? 81 HIS u CE1 1 +ATOM 46184 N NE2 . HIS GA 15 81 ? -1.689 53.495 -39.079 1.00 70.38 ? 81 HIS u NE2 1 +ATOM 46185 N N . PHE GA 15 82 ? -5.649 48.974 -42.187 1.00 69.47 ? 82 PHE u N 1 +ATOM 46186 C CA . PHE GA 15 82 ? -6.509 47.811 -42.348 1.00 56.34 ? 82 PHE u CA 1 +ATOM 46187 C C . PHE GA 15 82 ? -6.116 47.008 -43.574 1.00 62.76 ? 82 PHE u C 1 +ATOM 46188 O O . PHE GA 15 82 ? -5.422 47.495 -44.472 1.00 60.41 ? 82 PHE u O 1 +ATOM 46189 C CB . PHE GA 15 82 ? -7.972 48.226 -42.460 1.00 57.40 ? 82 PHE u CB 1 +ATOM 46190 C CG . PHE GA 15 82 ? -8.483 48.936 -41.254 1.00 66.66 ? 82 PHE u CG 1 +ATOM 46191 C CD1 . PHE GA 15 82 ? -7.843 48.784 -40.024 1.00 60.96 ? 82 PHE u CD1 1 +ATOM 46192 C CD2 . PHE GA 15 82 ? -9.620 49.725 -41.327 1.00 58.93 ? 82 PHE u CD2 1 +ATOM 46193 C CE1 . PHE GA 15 82 ? -8.325 49.409 -38.897 1.00 62.31 ? 82 PHE u CE1 1 +ATOM 46194 C CE2 . PHE GA 15 82 ? -10.112 50.363 -40.195 1.00 69.69 ? 82 PHE u CE2 1 +ATOM 46195 C CZ . PHE GA 15 82 ? -9.463 50.206 -38.974 1.00 65.87 ? 82 PHE u CZ 1 +ATOM 46196 N N . THR GA 15 83 ? -6.537 45.741 -43.574 1.00 56.04 ? 83 THR u N 1 +ATOM 46197 C CA . THR GA 15 83 ? -6.500 44.927 -44.773 1.00 52.80 ? 83 THR u CA 1 +ATOM 46198 C C . THR GA 15 83 ? -7.698 43.999 -44.752 1.00 56.72 ? 83 THR u C 1 +ATOM 46199 O O . THR GA 15 83 ? -8.458 43.946 -43.783 1.00 61.46 ? 83 THR u O 1 +ATOM 46200 C CB . THR GA 15 83 ? -5.218 44.116 -44.902 1.00 59.45 ? 83 THR u CB 1 +ATOM 46201 O OG1 . THR GA 15 83 ? -5.199 43.520 -46.198 1.00 60.15 ? 83 THR u OG1 1 +ATOM 46202 C CG2 . THR GA 15 83 ? -5.186 42.978 -43.865 1.00 55.85 ? 83 THR u CG2 1 +ATOM 46203 N N . VAL GA 15 84 ? -7.874 43.275 -45.840 1.00 52.57 ? 84 VAL u N 1 +ATOM 46204 C CA . VAL GA 15 84 ? -8.838 42.185 -45.874 1.00 62.68 ? 84 VAL u CA 1 +ATOM 46205 C C . VAL GA 15 84 ? -8.194 41.043 -46.623 1.00 56.23 ? 84 VAL u C 1 +ATOM 46206 O O . VAL GA 15 84 ? -7.471 41.260 -47.600 1.00 59.42 ? 84 VAL u O 1 +ATOM 46207 C CB . VAL GA 15 84 ? -10.185 42.569 -46.524 1.00 69.62 ? 84 VAL u CB 1 +ATOM 46208 C CG1 . VAL GA 15 84 ? -10.962 43.556 -45.619 1.00 66.23 ? 84 VAL u CG1 1 +ATOM 46209 C CG2 . VAL GA 15 84 ? -9.971 43.119 -47.898 1.00 67.72 ? 84 VAL u CG2 1 +ATOM 46210 N N . THR GA 15 85 ? -8.392 39.832 -46.108 1.00 58.99 ? 85 THR u N 1 +ATOM 46211 C CA . THR GA 15 85 ? -8.067 38.611 -46.819 1.00 53.86 ? 85 THR u CA 1 +ATOM 46212 C C . THR GA 15 85 ? -9.262 37.687 -46.675 1.00 60.07 ? 85 THR u C 1 +ATOM 46213 O O . THR GA 15 85 ? -10.238 38.006 -45.986 1.00 56.14 ? 85 THR u O 1 +ATOM 46214 C CB . THR GA 15 85 ? -6.796 37.943 -46.285 1.00 60.64 ? 85 THR u CB 1 +ATOM 46215 O OG1 . THR GA 15 85 ? -7.041 37.462 -44.956 1.00 61.18 ? 85 THR u OG1 1 +ATOM 46216 C CG2 . THR GA 15 85 ? -5.614 38.924 -46.261 1.00 57.45 ? 85 THR u CG2 1 +ATOM 46217 N N . GLU GA 15 86 ? -9.188 36.544 -47.344 1.00 53.44 ? 86 GLU u N 1 +ATOM 46218 C CA . GLU GA 15 86 ? -10.266 35.570 -47.270 1.00 61.85 ? 86 GLU u CA 1 +ATOM 46219 C C . GLU GA 15 86 ? -10.499 35.130 -45.833 1.00 60.32 ? 86 GLU u C 1 +ATOM 46220 O O . GLU GA 15 86 ? -9.553 34.965 -45.055 1.00 59.59 ? 86 GLU u O 1 +ATOM 46221 C CB . GLU GA 15 86 ? -9.934 34.351 -48.127 1.00 61.49 ? 86 GLU u CB 1 +ATOM 46222 C CG . GLU GA 15 86 ? -10.026 34.590 -49.616 1.00 98.32 ? 86 GLU u CG 1 +ATOM 46223 C CD . GLU GA 15 86 ? -11.366 34.139 -50.196 1.00 142.99 ? 86 GLU u CD 1 +ATOM 46224 O OE1 . GLU GA 15 86 ? -12.265 35.002 -50.357 1.00 111.78 ? 86 GLU u OE1 1 +ATOM 46225 O OE2 . GLU GA 15 86 ? -11.520 32.919 -50.478 1.00 140.90 ? 86 GLU u OE2 1 +ATOM 46226 N N . VAL GA 15 87 ? -11.776 34.942 -45.489 1.00 57.63 ? 87 VAL u N 1 +ATOM 46227 C CA . VAL GA 15 87 ? -12.130 34.392 -44.195 1.00 61.75 ? 87 VAL u CA 1 +ATOM 46228 C C . VAL GA 15 87 ? -11.453 33.040 -44.014 1.00 68.69 ? 87 VAL u C 1 +ATOM 46229 O O . VAL GA 15 87 ? -11.548 32.157 -44.875 1.00 58.89 ? 87 VAL u O 1 +ATOM 46230 C CB . VAL GA 15 87 ? -13.654 34.269 -44.067 1.00 64.36 ? 87 VAL u CB 1 +ATOM 46231 C CG1 . VAL GA 15 87 ? -14.003 33.508 -42.779 1.00 63.08 ? 87 VAL u CG1 1 +ATOM 46232 C CG2 . VAL GA 15 87 ? -14.295 35.652 -44.071 1.00 57.66 ? 87 VAL u CG2 1 +ATOM 46233 N N . GLU GA 15 88 ? -10.737 32.885 -42.898 1.00 58.38 ? 88 GLU u N 1 +ATOM 46234 C CA . GLU GA 15 88 ? -10.126 31.615 -42.524 1.00 52.41 ? 88 GLU u CA 1 +ATOM 46235 C C . GLU GA 15 88 ? -10.954 31.017 -41.397 1.00 47.98 ? 88 GLU u C 1 +ATOM 46236 O O . GLU GA 15 88 ? -10.942 31.531 -40.273 1.00 58.95 ? 88 GLU u O 1 +ATOM 46237 C CB . GLU GA 15 88 ? -8.666 31.803 -42.112 1.00 56.38 ? 88 GLU u CB 1 +ATOM 46238 C CG . GLU GA 15 88 ? -8.032 30.537 -41.513 1.00 61.02 ? 88 GLU u CG 1 +ATOM 46239 C CD . GLU GA 15 88 ? -8.300 29.280 -42.345 1.00 71.05 ? 88 GLU u CD 1 +ATOM 46240 O OE1 . GLU GA 15 88 ? -7.892 29.261 -43.527 1.00 65.74 ? 88 GLU u OE1 1 +ATOM 46241 O OE2 . GLU GA 15 88 ? -8.935 28.318 -41.821 1.00 66.40 ? 88 GLU u OE2 1 +ATOM 46242 N N . THR GA 15 89 ? -11.687 29.950 -41.719 1.00 56.85 ? 89 THR u N 1 +ATOM 46243 C CA . THR GA 15 89 ? -12.491 29.205 -40.748 1.00 57.82 ? 89 THR u CA 1 +ATOM 46244 C C . THR GA 15 89 ? -11.799 29.008 -39.406 1.00 48.35 ? 89 THR u C 1 +ATOM 46245 O O . THR GA 15 89 ? -12.399 29.219 -38.347 1.00 59.00 ? 89 THR u O 1 +ATOM 46246 C CB . THR GA 15 89 ? -12.856 27.856 -41.363 1.00 57.71 ? 89 THR u CB 1 +ATOM 46247 O OG1 . THR GA 15 89 ? -13.356 28.089 -42.681 1.00 65.74 ? 89 THR u OG1 1 +ATOM 46248 C CG2 . THR GA 15 89 ? -13.945 27.178 -40.566 1.00 67.69 ? 89 THR u CG2 1 +ATOM 46249 N N . ALA GA 15 90 ? -10.529 28.602 -39.422 1.00 53.29 ? 90 ALA u N 1 +ATOM 46250 C CA . ALA GA 15 90 ? -9.853 28.325 -38.159 1.00 50.72 ? 90 ALA u CA 1 +ATOM 46251 C C . ALA GA 15 90 ? -9.706 29.569 -37.297 1.00 55.53 ? 90 ALA u C 1 +ATOM 46252 O O . ALA GA 15 90 ? -9.592 29.445 -36.072 1.00 61.62 ? 90 ALA u O 1 +ATOM 46253 C CB . ALA GA 15 90 ? -8.471 27.716 -38.400 1.00 49.84 ? 90 ALA u CB 1 +ATOM 46254 N N . LEU GA 15 91 ? -9.717 30.765 -37.887 1.00 55.97 ? 91 LEU u N 1 +ATOM 46255 C CA . LEU GA 15 91 ? -9.520 31.962 -37.088 1.00 54.08 ? 91 LEU u CA 1 +ATOM 46256 C C . LEU GA 15 91 ? -10.818 32.566 -36.589 1.00 56.63 ? 91 LEU u C 1 +ATOM 46257 O O . LEU GA 15 91 ? -10.783 33.359 -35.643 1.00 56.23 ? 91 LEU u O 1 +ATOM 46258 C CB . LEU GA 15 91 ? -8.727 33.008 -37.869 1.00 54.34 ? 91 LEU u CB 1 +ATOM 46259 C CG . LEU GA 15 91 ? -7.269 32.621 -38.133 1.00 61.70 ? 91 LEU u CG 1 +ATOM 46260 C CD1 . LEU GA 15 91 ? -6.552 33.661 -39.011 1.00 54.89 ? 91 LEU u CD1 1 +ATOM 46261 C CD2 . LEU GA 15 91 ? -6.509 32.408 -36.846 1.00 59.31 ? 91 LEU u CD2 1 +ATOM 46262 N N . VAL GA 15 92 ? -11.959 32.203 -37.166 1.00 47.36 ? 92 VAL u N 1 +ATOM 46263 C CA . VAL GA 15 92 ? -13.214 32.868 -36.836 1.00 57.03 ? 92 VAL u CA 1 +ATOM 46264 C C . VAL GA 15 92 ? -14.231 31.936 -36.207 1.00 62.10 ? 92 VAL u C 1 +ATOM 46265 O O . VAL GA 15 92 ? -15.234 32.421 -35.652 1.00 59.06 ? 92 VAL u O 1 +ATOM 46266 C CB . VAL GA 15 92 ? -13.833 33.570 -38.068 1.00 55.73 ? 92 VAL u CB 1 +ATOM 46267 C CG1 . VAL GA 15 92 ? -12.849 34.594 -38.648 1.00 58.78 ? 92 VAL u CG1 1 +ATOM 46268 C CG2 . VAL GA 15 92 ? -14.240 32.547 -39.130 1.00 51.72 ? 92 VAL u CG2 1 +ATOM 46269 N N . GLU GA 15 93 ? -14.022 30.626 -36.262 1.00 55.58 ? 93 GLU u N 1 +ATOM 46270 C CA . GLU GA 15 93 ? -14.905 29.735 -35.547 1.00 55.96 ? 93 GLU u CA 1 +ATOM 46271 C C . GLU GA 15 93 ? -14.630 29.825 -34.045 1.00 59.10 ? 93 GLU u C 1 +ATOM 46272 O O . GLU GA 15 93 ? -13.627 30.398 -33.595 1.00 54.13 ? 93 GLU u O 1 +ATOM 46273 C CB . GLU GA 15 93 ? -14.729 28.309 -36.059 1.00 50.22 ? 93 GLU u CB 1 +ATOM 46274 C CG . GLU GA 15 93 ? -15.406 28.078 -37.393 1.00 55.78 ? 93 GLU u CG 1 +ATOM 46275 C CD . GLU GA 15 93 ? -16.914 28.046 -37.278 1.00 63.22 ? 93 GLU u CD 1 +ATOM 46276 O OE1 . GLU GA 15 93 ? -17.431 27.894 -36.160 1.00 61.48 ? 93 GLU u OE1 1 +ATOM 46277 O OE2 . GLU GA 15 93 ? -17.593 28.182 -38.306 1.00 77.41 ? 93 GLU u OE2 1 +ATOM 46278 N N . GLY GA 15 94 ? -15.543 29.243 -33.265 1.00 58.15 ? 94 GLY u N 1 +ATOM 46279 C CA . GLY GA 15 94 ? -15.401 29.260 -31.820 1.00 57.72 ? 94 GLY u CA 1 +ATOM 46280 C C . GLY GA 15 94 ? -15.471 30.629 -31.192 1.00 61.87 ? 94 GLY u C 1 +ATOM 46281 O O . GLY GA 15 94 ? -15.077 30.789 -30.032 1.00 51.71 ? 94 GLY u O 1 +ATOM 46282 N N . GLY GA 15 95 ? -15.981 31.628 -31.912 1.00 57.43 ? 95 GLY u N 1 +ATOM 46283 C CA . GLY GA 15 95 ? -15.971 32.969 -31.365 1.00 46.17 ? 95 GLY u CA 1 +ATOM 46284 C C . GLY GA 15 95 ? -14.584 33.492 -31.104 1.00 53.26 ? 95 GLY u C 1 +ATOM 46285 O O . GLY GA 15 95 ? -14.411 34.399 -30.286 1.00 56.56 ? 95 GLY u O 1 +ATOM 46286 N N . ASP GA 15 96 ? -13.575 32.945 -31.783 1.00 53.20 ? 96 ASP u N 1 +ATOM 46287 C CA . ASP GA 15 96 ? -12.195 33.301 -31.465 1.00 52.50 ? 96 ASP u CA 1 +ATOM 46288 C C . ASP GA 15 96 ? -11.845 34.731 -31.831 1.00 53.99 ? 96 ASP u C 1 +ATOM 46289 O O . ASP GA 15 96 ? -10.810 35.221 -31.369 1.00 56.99 ? 96 ASP u O 1 +ATOM 46290 C CB . ASP GA 15 96 ? -11.215 32.339 -32.156 1.00 57.34 ? 96 ASP u CB 1 +ATOM 46291 C CG . ASP GA 15 96 ? -11.142 30.969 -31.459 1.00 63.12 ? 96 ASP u CG 1 +ATOM 46292 O OD1 . ASP GA 15 96 ? -11.886 30.745 -30.471 1.00 48.03 ? 96 ASP u OD1 1 +ATOM 46293 O OD2 . ASP GA 15 96 ? -10.348 30.119 -31.919 1.00 54.02 ? 96 ASP u OD2 1 +ATOM 46294 N N . ARG GA 15 97 ? -12.660 35.417 -32.646 1.00 54.66 ? 97 ARG u N 1 +ATOM 46295 C CA . ARG GA 15 97 ? -12.372 36.826 -32.922 1.00 64.20 ? 97 ARG u CA 1 +ATOM 46296 C C . ARG GA 15 97 ? -12.675 37.713 -31.728 1.00 54.99 ? 97 ARG u C 1 +ATOM 46297 O O . ARG GA 15 97 ? -12.124 38.813 -31.655 1.00 59.28 ? 97 ARG u O 1 +ATOM 46298 C CB . ARG GA 15 97 ? -13.157 37.346 -34.136 1.00 58.41 ? 97 ARG u CB 1 +ATOM 46299 C CG . ARG GA 15 97 ? -12.804 36.693 -35.469 1.00 57.53 ? 97 ARG u CG 1 +ATOM 46300 C CD . ARG GA 15 97 ? -13.250 37.586 -36.622 1.00 57.98 ? 97 ARG u CD 1 +ATOM 46301 N NE . ARG GA 15 97 ? -12.492 38.832 -36.687 1.00 54.20 ? 97 ARG u NE 1 +ATOM 46302 C CZ . ARG GA 15 97 ? -12.761 39.828 -37.524 1.00 70.97 ? 97 ARG u CZ 1 +ATOM 46303 N NH1 . ARG GA 15 97 ? -13.832 39.805 -38.312 1.00 53.46 ? 97 ARG u NH1 1 +ATOM 46304 N NH2 . ARG GA 15 97 ? -11.927 40.865 -37.587 1.00 55.04 ? 97 ARG u NH2 1 +ATOM 46305 N N . TYR GA 15 98 ? -13.539 37.262 -30.808 1.00 49.86 ? 98 TYR u N 1 +ATOM 46306 C CA . TYR GA 15 98 ? -13.824 37.975 -29.560 1.00 55.13 ? 98 TYR u CA 1 +ATOM 46307 C C . TYR GA 15 98 ? -12.899 37.572 -28.420 1.00 57.12 ? 98 TYR u C 1 +ATOM 46308 O O . TYR GA 15 98 ? -12.616 38.396 -27.540 1.00 61.26 ? 98 TYR u O 1 +ATOM 46309 C CB . TYR GA 15 98 ? -15.285 37.746 -29.135 1.00 55.27 ? 98 TYR u CB 1 +ATOM 46310 C CG . TYR GA 15 98 ? -16.243 38.216 -30.205 1.00 60.17 ? 98 TYR u CG 1 +ATOM 46311 C CD1 . TYR GA 15 98 ? -16.594 39.556 -30.304 1.00 58.94 ? 98 TYR u CD1 1 +ATOM 46312 C CD2 . TYR GA 15 98 ? -16.746 37.327 -31.157 1.00 58.78 ? 98 TYR u CD2 1 +ATOM 46313 C CE1 . TYR GA 15 98 ? -17.440 40.007 -31.312 1.00 62.00 ? 98 TYR u CE1 1 +ATOM 46314 C CE2 . TYR GA 15 98 ? -17.599 37.765 -32.178 1.00 56.41 ? 98 TYR u CE2 1 +ATOM 46315 C CZ . TYR GA 15 98 ? -17.942 39.112 -32.244 1.00 69.89 ? 98 TYR u CZ 1 +ATOM 46316 O OH . TYR GA 15 98 ? -18.779 39.568 -33.238 1.00 64.51 ? 98 TYR u OH 1 +ATOM 46317 N N . ASN GA 15 99 ? -12.426 36.322 -28.411 1.00 65.85 ? 99 ASN u N 1 +ATOM 46318 C CA . ASN GA 15 99 ? -11.583 35.809 -27.323 1.00 56.74 ? 99 ASN u CA 1 +ATOM 46319 C C . ASN GA 15 99 ? -10.848 34.603 -27.904 1.00 53.27 ? 99 ASN u C 1 +ATOM 46320 O O . ASN GA 15 99 ? -11.455 33.544 -28.091 1.00 50.17 ? 99 ASN u O 1 +ATOM 46321 C CB . ASN GA 15 99 ? -12.421 35.423 -26.108 1.00 63.32 ? 99 ASN u CB 1 +ATOM 46322 C CG . ASN GA 15 99 ? -11.573 34.996 -24.898 1.00 65.99 ? 99 ASN u CG 1 +ATOM 46323 O OD1 . ASN GA 15 99 ? -10.518 34.342 -25.030 1.00 58.53 ? 99 ASN u OD1 1 +ATOM 46324 N ND2 . ASN GA 15 99 ? -12.045 35.353 -23.715 1.00 53.17 ? 99 ASN u ND2 1 +ATOM 46325 N N . ASN GA 15 100 ? -9.572 34.785 -28.234 1.00 47.07 ? 100 ASN u N 1 +ATOM 46326 C CA . ASN GA 15 100 ? -8.810 33.711 -28.860 1.00 54.46 ? 100 ASN u CA 1 +ATOM 46327 C C . ASN GA 15 100 ? -7.968 32.939 -27.848 1.00 57.30 ? 100 ASN u C 1 +ATOM 46328 O O . ASN GA 15 100 ? -6.980 32.300 -28.230 1.00 50.64 ? 100 ASN u O 1 +ATOM 46329 C CB . ASN GA 15 100 ? -7.926 34.259 -29.993 1.00 50.20 ? 100 ASN u CB 1 +ATOM 46330 C CG . ASN GA 15 100 ? -6.973 35.359 -29.521 1.00 56.67 ? 100 ASN u CG 1 +ATOM 46331 O OD1 . ASN GA 15 100 ? -6.941 35.720 -28.334 1.00 52.90 ? 100 ASN u OD1 1 +ATOM 46332 N ND2 . ASN GA 15 100 ? -6.189 35.885 -30.447 1.00 54.84 ? 100 ASN u ND2 1 +ATOM 46333 N N A GLY GA 15 101 ? -8.353 32.974 -26.572 0.40 57.02 ? 101 GLY u N 1 +ATOM 46334 N N B GLY GA 15 101 ? -8.318 33.025 -26.566 0.60 57.14 ? 101 GLY u N 1 +ATOM 46335 C CA A GLY GA 15 101 ? -7.646 32.292 -25.514 0.40 53.58 ? 101 GLY u CA 1 +ATOM 46336 C CA B GLY GA 15 101 ? -7.604 32.336 -25.519 0.60 53.46 ? 101 GLY u CA 1 +ATOM 46337 C C A GLY GA 15 101 ? -6.327 32.901 -25.124 0.40 59.35 ? 101 GLY u C 1 +ATOM 46338 C C B GLY GA 15 101 ? -6.284 32.949 -25.133 0.60 59.51 ? 101 GLY u C 1 +ATOM 46339 O O A GLY GA 15 101 ? -5.596 32.280 -24.347 0.40 58.47 ? 101 GLY u O 1 +ATOM 46340 O O B GLY GA 15 101 ? -5.531 32.324 -24.378 0.60 58.79 ? 101 GLY u O 1 +ATOM 46341 N N A LEU GA 15 102 ? -5.992 34.084 -25.639 0.40 55.55 ? 102 LEU u N 1 +ATOM 46342 N N B LEU GA 15 102 ? -5.976 34.146 -25.618 0.60 55.48 ? 102 LEU u N 1 +ATOM 46343 C CA A LEU GA 15 102 ? -4.771 34.793 -25.267 0.40 57.86 ? 102 LEU u CA 1 +ATOM 46344 C CA B LEU GA 15 102 ? -4.751 34.849 -25.258 0.60 57.85 ? 102 LEU u CA 1 +ATOM 46345 C C A LEU GA 15 102 ? -5.108 35.967 -24.361 0.40 61.66 ? 102 LEU u C 1 +ATOM 46346 C C B LEU GA 15 102 ? -5.083 35.997 -24.321 0.60 61.75 ? 102 LEU u C 1 +ATOM 46347 O O A LEU GA 15 102 ? -5.973 36.788 -24.690 0.40 62.74 ? 102 LEU u O 1 +ATOM 46348 O O B LEU GA 15 102 ? -5.988 36.789 -24.595 0.60 62.84 ? 102 LEU u O 1 +ATOM 46349 C CB A LEU GA 15 102 ? -4.006 35.304 -26.492 0.40 58.33 ? 102 LEU u CB 1 +ATOM 46350 C CB B LEU GA 15 102 ? -4.017 35.383 -26.491 0.60 58.17 ? 102 LEU u CB 1 +ATOM 46351 C CG A LEU GA 15 102 ? -3.087 34.304 -27.194 0.40 64.75 ? 102 LEU u CG 1 +ATOM 46352 C CG B LEU GA 15 102 ? -3.055 34.410 -27.168 0.60 65.09 ? 102 LEU u CG 1 +ATOM 46353 C CD1 A LEU GA 15 102 ? -3.899 33.204 -27.877 0.40 57.81 ? 102 LEU u CD1 1 +ATOM 46354 C CD1 B LEU GA 15 102 ? -3.808 33.209 -27.742 0.60 57.52 ? 102 LEU u CD1 1 +ATOM 46355 C CD2 A LEU GA 15 102 ? -2.181 35.030 -28.188 0.40 65.28 ? 102 LEU u CD2 1 +ATOM 46356 C CD2 B LEU GA 15 102 ? -2.229 35.126 -28.240 0.60 65.17 ? 102 LEU u CD2 1 +ATOM 46357 N N A TYR GA 15 103 ? -4.427 36.030 -23.218 0.40 55.22 ? 103 TYR u N 1 +ATOM 46358 N N B TYR GA 15 103 ? -4.366 36.061 -23.207 0.60 55.05 ? 103 TYR u N 1 +ATOM 46359 C CA A TYR GA 15 103 ? -4.472 37.173 -22.323 0.40 59.82 ? 103 TYR u CA 1 +ATOM 46360 C CA B TYR GA 15 103 ? -4.445 37.181 -22.289 0.60 59.82 ? 103 TYR u CA 1 +ATOM 46361 C C A TYR GA 15 103 ? -3.046 37.681 -22.218 0.40 63.54 ? 103 TYR u C 1 +ATOM 46362 C C B TYR GA 15 103 ? -3.032 37.722 -22.151 0.60 63.49 ? 103 TYR u C 1 +ATOM 46363 O O A TYR GA 15 103 ? -2.318 37.654 -23.212 0.40 75.25 ? 103 TYR u O 1 +ATOM 46364 O O B TYR GA 15 103 ? -2.302 37.790 -23.144 0.60 75.85 ? 103 TYR u O 1 +ATOM 46365 C CB A TYR GA 15 103 ? -5.048 36.768 -20.972 0.40 52.94 ? 103 TYR u CB 1 +ATOM 46366 C CB B TYR GA 15 103 ? -5.038 36.739 -20.956 0.60 52.74 ? 103 TYR u CB 1 +ATOM 46367 C CG A TYR GA 15 103 ? -6.410 36.129 -21.101 0.40 60.15 ? 103 TYR u CG 1 +ATOM 46368 C CG B TYR GA 15 103 ? -6.403 36.101 -21.106 0.60 60.32 ? 103 TYR u CG 1 +ATOM 46369 C CD1 A TYR GA 15 103 ? -7.553 36.916 -21.230 0.40 49.54 ? 103 TYR u CD1 1 +ATOM 46370 C CD1 B TYR GA 15 103 ? -7.551 36.886 -21.219 0.60 49.45 ? 103 TYR u CD1 1 +ATOM 46371 C CD2 A TYR GA 15 103 ? -6.556 34.728 -21.129 0.40 55.14 ? 103 TYR u CD2 1 +ATOM 46372 C CD2 B TYR GA 15 103 ? -6.547 34.706 -21.148 0.60 55.15 ? 103 TYR u CD2 1 +ATOM 46373 C CE1 A TYR GA 15 103 ? -8.811 36.341 -21.356 0.40 54.76 ? 103 TYR u CE1 1 +ATOM 46374 C CE1 B TYR GA 15 103 ? -8.806 36.306 -21.352 0.60 54.80 ? 103 TYR u CE1 1 +ATOM 46375 C CE2 A TYR GA 15 103 ? -7.813 34.138 -21.266 0.40 50.92 ? 103 TYR u CE2 1 +ATOM 46376 C CE2 B TYR GA 15 103 ? -7.797 34.116 -21.288 0.60 50.80 ? 103 TYR u CE2 1 +ATOM 46377 C CZ A TYR GA 15 103 ? -8.934 34.954 -21.383 0.40 55.34 ? 103 TYR u CZ 1 +ATOM 46378 C CZ B TYR GA 15 103 ? -8.922 34.921 -21.394 0.60 55.41 ? 103 TYR u CZ 1 +ATOM 46379 O OH A TYR GA 15 103 ? -10.175 34.397 -21.502 0.40 51.89 ? 103 TYR u OH 1 +ATOM 46380 O OH B TYR GA 15 103 ? -10.164 34.344 -21.520 0.60 51.99 ? 103 TYR u OH 1 +ATOM 46381 N N A LYS GA 15 104 ? -2.600 38.093 -21.043 0.40 60.38 ? 104 LYS u N 1 +ATOM 46382 N N B LYS GA 15 104 ? -2.607 38.080 -20.954 0.60 60.21 ? 104 LYS u N 1 +ATOM 46383 C CA A LYS GA 15 104 ? -1.194 38.481 -20.940 0.40 67.76 ? 104 LYS u CA 1 +ATOM 46384 C CA B LYS GA 15 104 ? -1.216 38.483 -20.814 0.60 67.75 ? 104 LYS u CA 1 +ATOM 46385 C C A LYS GA 15 104 ? -0.318 37.221 -20.869 0.40 74.78 ? 104 LYS u C 1 +ATOM 46386 C C B LYS GA 15 104 ? -0.338 37.233 -20.689 0.60 75.58 ? 104 LYS u C 1 +ATOM 46387 O O A LYS GA 15 104 ? -0.692 36.270 -20.187 0.40 65.43 ? 104 LYS u O 1 +ATOM 46388 O O B LYS GA 15 104 ? -0.647 36.332 -19.907 0.60 68.13 ? 104 LYS u O 1 +ATOM 46389 C CB A LYS GA 15 104 ? -0.963 39.387 -19.729 0.40 68.09 ? 104 LYS u CB 1 +ATOM 46390 C CB B LYS GA 15 104 ? -1.039 39.414 -19.621 0.60 68.37 ? 104 LYS u CB 1 +ATOM 46391 C CG A LYS GA 15 104 ? -1.447 40.832 -19.930 0.40 67.14 ? 104 LYS u CG 1 +ATOM 46392 C CG B LYS GA 15 104 ? -1.439 40.863 -19.905 0.60 67.23 ? 104 LYS u CG 1 +ATOM 46393 C CD A LYS GA 15 104 ? -0.530 41.584 -20.908 0.40 66.23 ? 104 LYS u CD 1 +ATOM 46394 C CD B LYS GA 15 104 ? -0.413 41.560 -20.800 0.60 66.40 ? 104 LYS u CD 1 +ATOM 46395 C CE A LYS GA 15 104 ? -0.894 43.079 -21.050 0.40 61.51 ? 104 LYS u CE 1 +ATOM 46396 C CE B LYS GA 15 104 ? -0.741 43.055 -20.980 0.60 61.63 ? 104 LYS u CE 1 +ATOM 46397 N NZ A LYS GA 15 104 ? 0.166 43.828 -21.812 0.40 58.87 ? 104 LYS u NZ 1 +ATOM 46398 N NZ B LYS GA 15 104 ? 0.313 43.794 -21.747 0.60 58.80 ? 104 LYS u NZ 1 +ATOM 46399 O OXT A LYS GA 15 104 ? 0.755 37.104 -21.489 0.40 66.56 ? 104 LYS u OXT 1 +ATOM 46400 O OXT B LYS GA 15 104 ? 0.684 37.081 -21.375 0.60 66.93 ? 104 LYS u OXT 1 +ATOM 46401 N N . ALA HA 16 1 ? 22.292 52.525 -9.152 1.00 69.29 ? 1 ALA v N 1 +ATOM 46402 C CA . ALA HA 16 1 ? 21.128 53.258 -9.637 1.00 74.11 ? 1 ALA v CA 1 +ATOM 46403 C C . ALA HA 16 1 ? 20.313 53.812 -8.480 1.00 71.93 ? 1 ALA v C 1 +ATOM 46404 O O . ALA HA 16 1 ? 20.149 53.155 -7.444 1.00 70.03 ? 1 ALA v O 1 +ATOM 46405 C CB . ALA HA 16 1 ? 20.260 52.376 -10.506 1.00 63.01 ? 1 ALA v CB 1 +ATOM 46406 N N . GLU HA 16 2 ? 19.802 55.025 -8.681 1.00 72.01 ? 2 GLU v N 1 +ATOM 46407 C CA . GLU HA 16 2 ? 19.033 55.762 -7.689 1.00 71.09 ? 2 GLU v CA 1 +ATOM 46408 C C . GLU HA 16 2 ? 17.730 56.236 -8.313 1.00 66.91 ? 2 GLU v C 1 +ATOM 46409 O O . GLU HA 16 2 ? 17.615 56.390 -9.532 1.00 72.48 ? 2 GLU v O 1 +ATOM 46410 C CB . GLU HA 16 2 ? 19.794 56.993 -7.160 1.00 76.42 ? 2 GLU v CB 1 +ATOM 46411 C CG . GLU HA 16 2 ? 21.078 56.716 -6.426 1.00 92.37 ? 2 GLU v CG 1 +ATOM 46412 C CD . GLU HA 16 2 ? 20.916 56.891 -4.921 1.00 124.96 ? 2 GLU v CD 1 +ATOM 46413 O OE1 . GLU HA 16 2 ? 19.761 56.767 -4.444 1.00 114.80 ? 2 GLU v OE1 1 +ATOM 46414 O OE2 . GLU HA 16 2 ? 21.930 57.152 -4.221 1.00 112.55 ? 2 GLU v OE2 1 +ATOM 46415 N N . LEU HA 16 3 ? 16.763 56.506 -7.448 1.00 70.82 ? 3 LEU v N 1 +ATOM 46416 C CA . LEU HA 16 3 ? 15.507 57.140 -7.832 1.00 69.88 ? 3 LEU v CA 1 +ATOM 46417 C C . LEU HA 16 3 ? 15.738 58.654 -7.873 1.00 82.51 ? 3 LEU v C 1 +ATOM 46418 O O . LEU HA 16 3 ? 15.530 59.354 -6.889 1.00 77.01 ? 3 LEU v O 1 +ATOM 46419 C CB . LEU HA 16 3 ? 14.419 56.760 -6.836 1.00 73.10 ? 3 LEU v CB 1 +ATOM 46420 C CG . LEU HA 16 3 ? 12.994 57.128 -7.214 1.00 75.98 ? 3 LEU v CG 1 +ATOM 46421 C CD1 . LEU HA 16 3 ? 12.673 56.428 -8.501 1.00 70.41 ? 3 LEU v CD1 1 +ATOM 46422 C CD2 . LEU HA 16 3 ? 12.032 56.714 -6.116 1.00 76.92 ? 3 LEU v CD2 1 +ATOM 46423 N N . THR HA 16 4 ? 16.153 59.168 -9.029 1.00 82.99 ? 4 THR v N 1 +ATOM 46424 C CA . THR HA 16 4 ? 16.616 60.544 -9.183 1.00 70.85 ? 4 THR v CA 1 +ATOM 46425 C C . THR HA 16 4 ? 15.479 61.468 -9.594 1.00 85.08 ? 4 THR v C 1 +ATOM 46426 O O . THR HA 16 4 ? 14.395 61.020 -9.978 1.00 83.44 ? 4 THR v O 1 +ATOM 46427 C CB . THR HA 16 4 ? 17.722 60.599 -10.229 1.00 67.93 ? 4 THR v CB 1 +ATOM 46428 O OG1 . THR HA 16 4 ? 17.190 60.185 -11.493 1.00 83.04 ? 4 THR v OG1 1 +ATOM 46429 C CG2 . THR HA 16 4 ? 18.897 59.726 -9.826 1.00 68.98 ? 4 THR v CG2 1 +ATOM 46430 N N . PRO HA 16 5 ? 15.700 62.793 -9.530 1.00 89.03 ? 5 PRO v N 1 +ATOM 46431 C CA . PRO HA 16 5 ? 14.645 63.731 -9.964 1.00 92.70 ? 5 PRO v CA 1 +ATOM 46432 C C . PRO HA 16 5 ? 14.282 63.613 -11.431 1.00 71.73 ? 5 PRO v C 1 +ATOM 46433 O O . PRO HA 16 5 ? 13.111 63.812 -11.778 1.00 75.17 ? 5 PRO v O 1 +ATOM 46434 C CB . PRO HA 16 5 ? 15.245 65.111 -9.642 1.00 89.69 ? 5 PRO v CB 1 +ATOM 46435 C CG . PRO HA 16 5 ? 16.216 64.846 -8.541 1.00 95.77 ? 5 PRO v CG 1 +ATOM 46436 C CD . PRO HA 16 5 ? 16.797 63.494 -8.831 1.00 94.41 ? 5 PRO v CD 1 +ATOM 46437 N N . GLU HA 16 6 ? 15.246 63.324 -12.311 1.00 84.39 ? 6 GLU v N 1 +ATOM 46438 C CA . GLU HA 16 6 ? 14.900 62.990 -13.690 1.00 80.81 ? 6 GLU v CA 1 +ATOM 46439 C C . GLU HA 16 6 ? 13.890 61.849 -13.728 1.00 88.97 ? 6 GLU v C 1 +ATOM 46440 O O . GLU HA 16 6 ? 12.825 61.972 -14.342 1.00 92.70 ? 6 GLU v O 1 +ATOM 46441 C CB . GLU HA 16 6 ? 16.149 62.623 -14.498 1.00 92.73 ? 6 GLU v CB 1 +ATOM 46442 C CG . GLU HA 16 6 ? 17.336 63.556 -14.298 1.00 106.96 ? 6 GLU v CG 1 +ATOM 46443 C CD . GLU HA 16 6 ? 18.192 63.157 -13.107 1.00 127.07 ? 6 GLU v CD 1 +ATOM 46444 O OE1 . GLU HA 16 6 ? 18.912 62.133 -13.215 1.00 150.67 ? 6 GLU v OE1 1 +ATOM 46445 O OE2 . GLU HA 16 6 ? 18.125 63.849 -12.061 1.00 117.39 ? 6 GLU v OE2 1 +ATOM 46446 N N . VAL HA 16 7 ? 14.200 60.732 -13.055 1.00 80.71 ? 7 VAL v N 1 +ATOM 46447 C CA . VAL HA 16 7 ? 13.259 59.615 -13.015 1.00 73.48 ? 7 VAL v CA 1 +ATOM 46448 C C . VAL HA 16 7 ? 11.886 60.097 -12.571 1.00 81.31 ? 7 VAL v C 1 +ATOM 46449 O O . VAL HA 16 7 ? 10.853 59.695 -13.124 1.00 72.93 ? 7 VAL v O 1 +ATOM 46450 C CB . VAL HA 16 7 ? 13.781 58.492 -12.094 1.00 80.86 ? 7 VAL v CB 1 +ATOM 46451 C CG1 . VAL HA 16 7 ? 12.694 57.452 -11.878 1.00 66.41 ? 7 VAL v CG1 1 +ATOM 46452 C CG2 . VAL HA 16 7 ? 15.038 57.851 -12.662 1.00 80.24 ? 7 VAL v CG2 1 +ATOM 46453 N N . LEU HA 16 8 ? 11.853 60.991 -11.591 1.00 68.41 ? 8 LEU v N 1 +ATOM 46454 C CA . LEU HA 16 8 ? 10.596 61.437 -11.006 1.00 82.73 ? 8 LEU v CA 1 +ATOM 46455 C C . LEU HA 16 8 ? 9.905 62.556 -11.795 1.00 73.41 ? 8 LEU v C 1 +ATOM 46456 O O . LEU HA 16 8 ? 8.833 63.005 -11.382 1.00 71.68 ? 8 LEU v O 1 +ATOM 46457 C CB . LEU HA 16 8 ? 10.841 61.866 -9.556 1.00 65.18 ? 8 LEU v CB 1 +ATOM 46458 C CG . LEU HA 16 8 ? 11.094 60.654 -8.654 1.00 79.07 ? 8 LEU v CG 1 +ATOM 46459 C CD1 . LEU HA 16 8 ? 11.503 61.053 -7.235 1.00 65.58 ? 8 LEU v CD1 1 +ATOM 46460 C CD2 . LEU HA 16 8 ? 9.855 59.771 -8.623 1.00 67.68 ? 8 LEU v CD2 1 +ATOM 46461 N N . THR HA 16 9 ? 10.458 62.985 -12.926 1.00 68.78 ? 9 THR v N 1 +ATOM 46462 C CA . THR HA 16 9 ? 9.845 64.027 -13.749 1.00 84.54 ? 9 THR v CA 1 +ATOM 46463 C C . THR HA 16 9 ? 8.926 63.393 -14.792 1.00 82.08 ? 9 THR v C 1 +ATOM 46464 O O . THR HA 16 9 ? 9.390 62.638 -15.655 1.00 75.34 ? 9 THR v O 1 +ATOM 46465 C CB . THR HA 16 9 ? 10.929 64.861 -14.434 1.00 85.17 ? 9 THR v CB 1 +ATOM 46466 O OG1 . THR HA 16 9 ? 11.880 65.295 -13.462 1.00 78.28 ? 9 THR v OG1 1 +ATOM 46467 C CG2 . THR HA 16 9 ? 10.326 66.059 -15.150 1.00 73.33 ? 9 THR v CG2 1 +ATOM 46468 N N . VAL HA 16 10 ? 7.636 63.720 -14.736 1.00 77.32 ? 10 VAL v N 1 +ATOM 46469 C CA . VAL HA 16 10 ? 6.648 63.070 -15.599 1.00 78.07 ? 10 VAL v CA 1 +ATOM 46470 C C . VAL HA 16 10 ? 5.741 64.127 -16.217 1.00 82.06 ? 10 VAL v C 1 +ATOM 46471 O O . VAL HA 16 10 ? 5.599 65.239 -15.686 1.00 83.62 ? 10 VAL v O 1 +ATOM 46472 C CB . VAL HA 16 10 ? 5.815 62.018 -14.826 1.00 74.41 ? 10 VAL v CB 1 +ATOM 46473 C CG1 . VAL HA 16 10 ? 6.719 60.924 -14.268 1.00 80.16 ? 10 VAL v CG1 1 +ATOM 46474 C CG2 . VAL HA 16 10 ? 4.984 62.673 -13.731 1.00 57.17 ? 10 VAL v CG2 1 +ATOM 46475 N N . PRO HA 16 11 ? 5.093 63.799 -17.336 1.00 80.48 ? 11 PRO v N 1 +ATOM 46476 C CA . PRO HA 16 11 ? 4.190 64.767 -17.981 1.00 75.79 ? 11 PRO v CA 1 +ATOM 46477 C C . PRO HA 16 11 ? 3.015 65.164 -17.091 1.00 86.01 ? 11 PRO v C 1 +ATOM 46478 O O . PRO HA 16 11 ? 2.329 64.312 -16.513 1.00 72.13 ? 11 PRO v O 1 +ATOM 46479 C CB . PRO HA 16 11 ? 3.718 64.025 -19.240 1.00 75.26 ? 11 PRO v CB 1 +ATOM 46480 C CG . PRO HA 16 11 ? 4.806 63.032 -19.520 1.00 72.66 ? 11 PRO v CG 1 +ATOM 46481 C CD . PRO HA 16 11 ? 5.323 62.607 -18.176 1.00 69.97 ? 11 PRO v CD 1 +ATOM 46482 N N . LEU HA 16 12 ? 2.780 66.482 -17.003 1.00 84.08 ? 12 LEU v N 1 +ATOM 46483 C CA . LEU HA 16 12 ? 1.640 67.044 -16.286 1.00 72.74 ? 12 LEU v CA 1 +ATOM 46484 C C . LEU HA 16 12 ? 0.375 67.078 -17.134 1.00 76.45 ? 12 LEU v C 1 +ATOM 46485 O O . LEU HA 16 12 ? -0.718 66.801 -16.621 1.00 79.59 ? 12 LEU v O 1 +ATOM 46486 C CB . LEU HA 16 12 ? 1.958 68.462 -15.799 1.00 101.71 ? 12 LEU v CB 1 +ATOM 46487 C CG . LEU HA 16 12 ? 0.894 69.092 -14.885 1.00 91.51 ? 12 LEU v CG 1 +ATOM 46488 C CD1 . LEU HA 16 12 ? 0.735 68.276 -13.626 1.00 82.91 ? 12 LEU v CD1 1 +ATOM 46489 C CD2 . LEU HA 16 12 ? 1.246 70.513 -14.523 1.00 83.97 ? 12 LEU v CD2 1 +ATOM 46490 N N . ASN HA 16 13 ? 0.496 67.411 -18.419 1.00 71.34 ? 13 ASN v N 1 +ATOM 46491 C CA . ASN HA 16 13 ? -0.670 67.542 -19.286 1.00 81.19 ? 13 ASN v CA 1 +ATOM 46492 C C . ASN HA 16 13 ? -0.290 67.160 -20.709 1.00 77.08 ? 13 ASN v C 1 +ATOM 46493 O O . ASN HA 16 13 ? 0.868 66.847 -21.007 1.00 80.24 ? 13 ASN v O 1 +ATOM 46494 C CB . ASN HA 16 13 ? -1.258 68.963 -19.231 1.00 81.23 ? 13 ASN v CB 1 +ATOM 46495 C CG . ASN HA 16 13 ? -0.223 70.066 -19.503 1.00 92.02 ? 13 ASN v CG 1 +ATOM 46496 O OD1 . ASN HA 16 13 ? 0.754 69.883 -20.233 1.00 86.21 ? 13 ASN v OD1 1 +ATOM 46497 N ND2 . ASN HA 16 13 ? -0.455 71.229 -18.911 1.00 98.46 ? 13 ASN v ND2 1 +ATOM 46498 N N . SER HA 16 14 ? -1.291 67.192 -21.595 1.00 97.23 ? 14 SER v N 1 +ATOM 46499 C CA . SER HA 16 14 ? -1.039 66.939 -23.010 1.00 90.86 ? 14 SER v CA 1 +ATOM 46500 C C . SER HA 16 14 ? -0.203 68.043 -23.642 1.00 104.97 ? 14 SER v C 1 +ATOM 46501 O O . SER HA 16 14 ? 0.585 67.771 -24.554 1.00 110.87 ? 14 SER v O 1 +ATOM 46502 C CB . SER HA 16 14 ? -2.359 66.777 -23.759 1.00 106.18 ? 14 SER v CB 1 +ATOM 46503 O OG . SER HA 16 14 ? -2.969 65.534 -23.443 1.00 122.58 ? 14 SER v OG 1 +ATOM 46504 N N . GLU HA 16 15 ? -0.344 69.283 -23.164 1.00 122.59 ? 15 GLU v N 1 +ATOM 46505 C CA . GLU HA 16 15 ? 0.443 70.393 -23.694 1.00 118.69 ? 15 GLU v CA 1 +ATOM 46506 C C . GLU HA 16 15 ? 1.940 70.171 -23.547 1.00 112.12 ? 15 GLU v C 1 +ATOM 46507 O O . GLU HA 16 15 ? 2.717 70.763 -24.301 1.00 119.44 ? 15 GLU v O 1 +ATOM 46508 C CB . GLU HA 16 15 ? 0.042 71.700 -23.006 1.00 119.07 ? 15 GLU v CB 1 +ATOM 46509 C CG . GLU HA 16 15 ? -0.856 72.585 -23.857 1.00 140.12 ? 15 GLU v CG 1 +ATOM 46510 C CD . GLU HA 16 15 ? -1.890 71.787 -24.635 1.00 164.86 ? 15 GLU v CD 1 +ATOM 46511 O OE1 . GLU HA 16 15 ? -2.630 70.995 -24.011 1.00 167.07 ? 15 GLU v OE1 1 +ATOM 46512 O OE2 . GLU HA 16 15 ? -1.953 71.940 -25.877 1.00 174.99 ? 15 GLU v OE2 1 +ATOM 46513 N N . GLY HA 16 16 ? 2.369 69.346 -22.597 1.00 116.09 ? 16 GLY v N 1 +ATOM 46514 C CA . GLY HA 16 16 ? 3.769 68.996 -22.477 1.00 111.26 ? 16 GLY v CA 1 +ATOM 46515 C C . GLY HA 16 16 ? 4.479 69.531 -21.255 1.00 102.79 ? 16 GLY v C 1 +ATOM 46516 O O . GLY HA 16 16 ? 5.666 69.225 -21.079 1.00 118.25 ? 16 GLY v O 1 +ATOM 46517 N N . LYS HA 16 17 ? 3.822 70.320 -20.409 1.00 80.84 ? 17 LYS v N 1 +ATOM 46518 C CA . LYS HA 16 17 ? 4.472 70.729 -19.173 1.00 93.05 ? 17 LYS v CA 1 +ATOM 46519 C C . LYS HA 16 17 ? 4.703 69.518 -18.276 1.00 105.21 ? 17 LYS v C 1 +ATOM 46520 O O . LYS HA 16 17 ? 3.947 68.540 -18.301 1.00 99.34 ? 17 LYS v O 1 +ATOM 46521 C CB . LYS HA 16 17 ? 3.642 71.779 -18.433 1.00 103.25 ? 17 LYS v CB 1 +ATOM 46522 C CG . LYS HA 16 17 ? 4.477 72.586 -17.431 1.00 121.77 ? 17 LYS v CG 1 +ATOM 46523 C CD . LYS HA 16 17 ? 3.646 73.573 -16.619 1.00 141.63 ? 17 LYS v CD 1 +ATOM 46524 C CE . LYS HA 16 17 ? 4.532 74.441 -15.733 1.00 133.95 ? 17 LYS v CE 1 +ATOM 46525 N NZ . LYS HA 16 17 ? 5.408 73.619 -14.845 1.00 141.11 ? 17 LYS v NZ 1 +ATOM 46526 N N . THR HA 16 18 ? 5.767 69.580 -17.484 1.00 82.47 ? 18 THR v N 1 +ATOM 46527 C CA . THR HA 16 18 ? 6.157 68.478 -16.620 1.00 87.52 ? 18 THR v CA 1 +ATOM 46528 C C . THR HA 16 18 ? 6.114 68.892 -15.158 1.00 84.83 ? 18 THR v C 1 +ATOM 46529 O O . THR HA 16 18 ? 6.440 70.027 -14.803 1.00 103.12 ? 18 THR v O 1 +ATOM 46530 C CB . THR HA 16 18 ? 7.559 67.992 -16.957 1.00 102.49 ? 18 THR v CB 1 +ATOM 46531 O OG1 . THR HA 16 18 ? 8.517 68.847 -16.325 1.00 91.41 ? 18 THR v OG1 1 +ATOM 46532 C CG2 . THR HA 16 18 ? 7.783 68.015 -18.471 1.00 97.65 ? 18 THR v CG2 1 +ATOM 46533 N N . ILE HA 16 19 ? 5.719 67.960 -14.311 1.00 91.77 ? 19 ILE v N 1 +ATOM 46534 C CA . ILE HA 16 19 ? 5.841 68.102 -12.871 1.00 81.54 ? 19 ILE v CA 1 +ATOM 46535 C C . ILE HA 16 19 ? 6.943 67.157 -12.412 1.00 95.35 ? 19 ILE v C 1 +ATOM 46536 O O . ILE HA 16 19 ? 7.223 66.132 -13.049 1.00 101.41 ? 19 ILE v O 1 +ATOM 46537 C CB . ILE HA 16 19 ? 4.500 67.807 -12.167 1.00 85.07 ? 19 ILE v CB 1 +ATOM 46538 C CG1 . ILE HA 16 19 ? 4.586 68.065 -10.674 1.00 83.93 ? 19 ILE v CG1 1 +ATOM 46539 C CG2 . ILE HA 16 19 ? 4.057 66.374 -12.421 1.00 87.53 ? 19 ILE v CG2 1 +ATOM 46540 C CD1 . ILE HA 16 19 ? 3.285 67.764 -9.955 1.00 102.59 ? 19 ILE v CD1 1 +ATOM 46541 N N . THR HA 16 20 ? 7.605 67.521 -11.324 1.00 84.50 ? 20 THR v N 1 +ATOM 46542 C CA . THR HA 16 20 ? 8.618 66.669 -10.721 1.00 81.13 ? 20 THR v CA 1 +ATOM 46543 C C . THR HA 16 20 ? 8.133 66.279 -9.343 1.00 82.71 ? 20 THR v C 1 +ATOM 46544 O O . THR HA 16 20 ? 7.968 67.140 -8.474 1.00 91.46 ? 20 THR v O 1 +ATOM 46545 C CB . THR HA 16 20 ? 9.971 67.362 -10.642 1.00 75.75 ? 20 THR v CB 1 +ATOM 46546 O OG1 . THR HA 16 20 ? 10.421 67.644 -11.969 1.00 81.56 ? 20 THR v OG1 1 +ATOM 46547 C CG2 . THR HA 16 20 ? 10.988 66.459 -9.945 1.00 73.38 ? 20 THR v CG2 1 +ATOM 46548 N N . LEU HA 16 21 ? 7.895 64.988 -9.155 1.00 94.19 ? 21 LEU v N 1 +ATOM 46549 C CA . LEU HA 16 21 ? 7.380 64.485 -7.897 1.00 74.50 ? 21 LEU v CA 1 +ATOM 46550 C C . LEU HA 16 21 ? 8.516 64.325 -6.897 1.00 68.56 ? 21 LEU v C 1 +ATOM 46551 O O . LEU HA 16 21 ? 9.692 64.206 -7.258 1.00 80.45 ? 21 LEU v O 1 +ATOM 46552 C CB . LEU HA 16 21 ? 6.668 63.154 -8.122 1.00 84.48 ? 21 LEU v CB 1 +ATOM 46553 C CG . LEU HA 16 21 ? 5.707 63.205 -9.311 1.00 87.70 ? 21 LEU v CG 1 +ATOM 46554 C CD1 . LEU HA 16 21 ? 5.432 61.811 -9.852 1.00 91.96 ? 21 LEU v CD1 1 +ATOM 46555 C CD2 . LEU HA 16 21 ? 4.414 63.902 -8.907 1.00 91.73 ? 21 LEU v CD2 1 +ATOM 46556 N N . THR HA 16 22 ? 8.157 64.331 -5.627 1.00 71.01 ? 22 THR v N 1 +ATOM 46557 C CA . THR HA 16 22 ? 9.148 64.051 -4.606 1.00 86.93 ? 22 THR v CA 1 +ATOM 46558 C C . THR HA 16 22 ? 9.229 62.548 -4.364 1.00 100.27 ? 22 THR v C 1 +ATOM 46559 O O . THR HA 16 22 ? 8.293 61.793 -4.653 1.00 78.66 ? 22 THR v O 1 +ATOM 46560 C CB . THR HA 16 22 ? 8.801 64.776 -3.312 1.00 85.13 ? 22 THR v CB 1 +ATOM 46561 O OG1 . THR HA 16 22 ? 7.570 64.249 -2.803 1.00 90.45 ? 22 THR v OG1 1 +ATOM 46562 C CG2 . THR HA 16 22 ? 8.646 66.285 -3.574 1.00 72.91 ? 22 THR v CG2 1 +ATOM 46563 N N . GLU HA 16 23 ? 10.380 62.121 -3.840 1.00 91.74 ? 23 GLU v N 1 +ATOM 46564 C CA . GLU HA 16 23 ? 10.563 60.728 -3.453 1.00 78.48 ? 23 GLU v CA 1 +ATOM 46565 C C . GLU HA 16 23 ? 9.425 60.241 -2.564 1.00 84.02 ? 23 GLU v C 1 +ATOM 46566 O O . GLU HA 16 23 ? 8.921 59.127 -2.742 1.00 87.83 ? 23 GLU v O 1 +ATOM 46567 C CB . GLU HA 16 23 ? 11.912 60.571 -2.755 1.00 93.00 ? 23 GLU v CB 1 +ATOM 46568 C CG . GLU HA 16 23 ? 12.161 59.211 -2.125 1.00 103.64 ? 23 GLU v CG 1 +ATOM 46569 C CD . GLU HA 16 23 ? 13.619 58.814 -2.213 1.00 116.60 ? 23 GLU v CD 1 +ATOM 46570 O OE1 . GLU HA 16 23 ? 14.387 59.542 -2.886 1.00 123.56 ? 23 GLU v OE1 1 +ATOM 46571 O OE2 . GLU HA 16 23 ? 13.992 57.776 -1.626 1.00 133.58 ? 23 GLU v OE2 1 +ATOM 46572 N N . LYS HA 16 24 ? 8.983 61.073 -1.622 1.00 85.39 ? 24 LYS v N 1 +ATOM 46573 C CA . LYS HA 16 24 ? 7.879 60.668 -0.760 1.00 88.02 ? 24 LYS v CA 1 +ATOM 46574 C C . LYS HA 16 24 ? 6.556 60.641 -1.517 1.00 76.84 ? 24 LYS v C 1 +ATOM 46575 O O . LYS HA 16 24 ? 5.675 59.837 -1.202 1.00 81.57 ? 24 LYS v O 1 +ATOM 46576 C CB . LYS HA 16 24 ? 7.787 61.596 0.456 1.00 88.58 ? 24 LYS v CB 1 +ATOM 46577 C CG . LYS HA 16 24 ? 6.493 62.378 0.532 1.00 105.85 ? 24 LYS v CG 1 +ATOM 46578 C CD . LYS HA 16 24 ? 5.945 62.449 1.941 1.00 118.52 ? 24 LYS v CD 1 +ATOM 46579 C CE . LYS HA 16 24 ? 4.616 63.200 1.945 1.00 152.43 ? 24 LYS v CE 1 +ATOM 46580 N NZ . LYS HA 16 24 ? 4.138 63.543 3.317 1.00 160.26 ? 24 LYS v NZ 1 +ATOM 46581 N N . GLN HA 16 25 ? 6.387 61.511 -2.507 1.00 79.24 ? 25 GLN v N 1 +ATOM 46582 C CA . GLN HA 16 25 ? 5.154 61.480 -3.283 1.00 83.98 ? 25 GLN v CA 1 +ATOM 46583 C C . GLN HA 16 25 ? 5.038 60.171 -4.057 1.00 105.28 ? 25 GLN v C 1 +ATOM 46584 O O . GLN HA 16 25 ? 3.956 59.568 -4.136 1.00 71.79 ? 25 GLN v O 1 +ATOM 46585 C CB . GLN HA 16 25 ? 5.122 62.667 -4.236 1.00 94.87 ? 25 GLN v CB 1 +ATOM 46586 C CG . GLN HA 16 25 ? 3.921 63.564 -4.117 1.00 84.88 ? 25 GLN v CG 1 +ATOM 46587 C CD . GLN HA 16 25 ? 3.979 64.664 -5.144 1.00 94.57 ? 25 GLN v CD 1 +ATOM 46588 O OE1 . GLN HA 16 25 ? 5.066 65.090 -5.541 1.00 87.04 ? 25 GLN v OE1 1 +ATOM 46589 N NE2 . GLN HA 16 25 ? 2.817 65.108 -5.611 1.00 87.88 ? 25 GLN v NE2 1 +ATOM 46590 N N . TYR HA 16 26 ? 6.151 59.721 -4.641 1.00 65.87 ? 26 TYR v N 1 +ATOM 46591 C CA . TYR HA 16 26 ? 6.146 58.457 -5.356 1.00 83.20 ? 26 TYR v CA 1 +ATOM 46592 C C . TYR HA 16 26 ? 5.822 57.300 -4.413 1.00 74.38 ? 26 TYR v C 1 +ATOM 46593 O O . TYR HA 16 26 ? 5.019 56.423 -4.755 1.00 69.38 ? 26 TYR v O 1 +ATOM 46594 C CB . TYR HA 16 26 ? 7.490 58.250 -6.052 1.00 73.45 ? 26 TYR v CB 1 +ATOM 46595 C CG . TYR HA 16 26 ? 7.712 56.818 -6.448 1.00 87.53 ? 26 TYR v CG 1 +ATOM 46596 C CD1 . TYR HA 16 26 ? 7.209 56.319 -7.650 1.00 83.27 ? 26 TYR v CD1 1 +ATOM 46597 C CD2 . TYR HA 16 26 ? 8.404 55.956 -5.618 1.00 75.20 ? 26 TYR v CD2 1 +ATOM 46598 C CE1 . TYR HA 16 26 ? 7.401 55.007 -8.010 1.00 76.72 ? 26 TYR v CE1 1 +ATOM 46599 C CE2 . TYR HA 16 26 ? 8.598 54.640 -5.966 1.00 78.69 ? 26 TYR v CE2 1 +ATOM 46600 C CZ . TYR HA 16 26 ? 8.098 54.168 -7.162 1.00 84.85 ? 26 TYR v CZ 1 +ATOM 46601 O OH . TYR HA 16 26 ? 8.298 52.853 -7.508 1.00 74.37 ? 26 TYR v OH 1 +ATOM 46602 N N . LEU HA 16 27 ? 6.411 57.299 -3.211 1.00 72.04 ? 27 LEU v N 1 +ATOM 46603 C CA . LEU HA 16 27 ? 6.182 56.201 -2.270 1.00 77.97 ? 27 LEU v CA 1 +ATOM 46604 C C . LEU HA 16 27 ? 4.764 56.216 -1.721 1.00 70.85 ? 27 LEU v C 1 +ATOM 46605 O O . LEU HA 16 27 ? 4.177 55.155 -1.476 1.00 71.98 ? 27 LEU v O 1 +ATOM 46606 C CB . LEU HA 16 27 ? 7.190 56.255 -1.126 1.00 64.03 ? 27 LEU v CB 1 +ATOM 46607 C CG . LEU HA 16 27 ? 8.631 55.947 -1.531 1.00 97.81 ? 27 LEU v CG 1 +ATOM 46608 C CD1 . LEU HA 16 27 ? 9.607 56.341 -0.425 1.00 88.81 ? 27 LEU v CD1 1 +ATOM 46609 C CD2 . LEU HA 16 27 ? 8.795 54.470 -1.914 1.00 80.20 ? 27 LEU v CD2 1 +ATOM 46610 N N . GLU HA 16 28 ? 4.198 57.402 -1.508 1.00 71.75 ? 28 GLU v N 1 +ATOM 46611 C CA . GLU HA 16 28 ? 2.803 57.473 -1.091 1.00 74.91 ? 28 GLU v CA 1 +ATOM 46612 C C . GLU HA 16 28 ? 1.889 56.941 -2.185 1.00 76.87 ? 28 GLU v C 1 +ATOM 46613 O O . GLU HA 16 28 ? 0.884 56.277 -1.899 1.00 72.35 ? 28 GLU v O 1 +ATOM 46614 C CB . GLU HA 16 28 ? 2.437 58.916 -0.727 1.00 77.83 ? 28 GLU v CB 1 +ATOM 46615 C CG . GLU HA 16 28 ? 2.311 59.155 0.760 1.00 95.60 ? 28 GLU v CG 1 +ATOM 46616 C CD . GLU HA 16 28 ? 1.066 58.505 1.350 1.00 116.87 ? 28 GLU v CD 1 +ATOM 46617 O OE1 . GLU HA 16 28 ? -0.053 58.899 0.951 1.00 114.18 ? 28 GLU v OE1 1 +ATOM 46618 O OE2 . GLU HA 16 28 ? 1.205 57.590 2.200 1.00 106.93 ? 28 GLU v OE2 1 +ATOM 46619 N N . GLY HA 16 29 ? 2.228 57.228 -3.449 1.00 74.43 ? 29 GLY v N 1 +ATOM 46620 C CA . GLY HA 16 29 ? 1.442 56.718 -4.559 1.00 69.18 ? 29 GLY v CA 1 +ATOM 46621 C C . GLY HA 16 29 ? 1.484 55.204 -4.646 1.00 81.25 ? 29 GLY v C 1 +ATOM 46622 O O . GLY HA 16 29 ? 0.446 54.552 -4.809 1.00 64.78 ? 29 GLY v O 1 +ATOM 46623 N N . LYS HA 16 30 ? 2.682 54.624 -4.511 1.00 59.86 ? 30 LYS v N 1 +ATOM 46624 C CA . LYS HA 16 30 ? 2.808 53.172 -4.421 1.00 72.29 ? 30 LYS v CA 1 +ATOM 46625 C C . LYS HA 16 30 ? 1.861 52.600 -3.369 1.00 63.57 ? 30 LYS v C 1 +ATOM 46626 O O . LYS HA 16 30 ? 1.116 51.657 -3.646 1.00 69.78 ? 30 LYS v O 1 +ATOM 46627 C CB . LYS HA 16 30 ? 4.259 52.790 -4.126 1.00 61.15 ? 30 LYS v CB 1 +ATOM 46628 C CG . LYS HA 16 30 ? 4.543 51.296 -4.234 1.00 78.45 ? 30 LYS v CG 1 +ATOM 46629 C CD . LYS HA 16 30 ? 6.049 51.008 -4.244 1.00 77.27 ? 30 LYS v CD 1 +ATOM 46630 C CE . LYS HA 16 30 ? 6.330 49.513 -4.326 1.00 97.95 ? 30 LYS v CE 1 +ATOM 46631 N NZ . LYS HA 16 30 ? 7.788 49.177 -4.338 1.00 82.22 ? 30 LYS v NZ 1 +ATOM 46632 N N . ARG HA 16 31 ? 1.838 53.194 -2.168 1.00 65.12 ? 31 ARG v N 1 +ATOM 46633 C CA . ARG HA 16 31 ? 0.977 52.683 -1.105 1.00 66.27 ? 31 ARG v CA 1 +ATOM 46634 C C . ARG HA 16 31 ? -0.497 52.815 -1.461 1.00 70.38 ? 31 ARG v C 1 +ATOM 46635 O O . ARG HA 16 31 ? -1.281 51.888 -1.222 1.00 65.58 ? 31 ARG v O 1 +ATOM 46636 C CB . ARG HA 16 31 ? 1.261 53.407 0.214 1.00 70.42 ? 31 ARG v CB 1 +ATOM 46637 C CG . ARG HA 16 31 ? 0.307 53.010 1.345 1.00 86.20 ? 31 ARG v CG 1 +ATOM 46638 C CD . ARG HA 16 31 ? 0.450 53.903 2.590 1.00 119.26 ? 31 ARG v CD 1 +ATOM 46639 N NE . ARG HA 16 31 ? -0.382 55.104 2.538 1.00 100.71 ? 31 ARG v NE 1 +ATOM 46640 C CZ . ARG HA 16 31 ? -1.677 55.139 2.836 1.00 119.32 ? 31 ARG v CZ 1 +ATOM 46641 N NH1 . ARG HA 16 31 ? -2.338 54.047 3.197 1.00 121.39 ? 31 ARG v NH1 1 +ATOM 46642 N NH2 . ARG HA 16 31 ? -2.327 56.298 2.765 1.00 104.57 ? 31 ARG v NH2 1 +ATOM 46643 N N . LEU HA 16 32 ? -0.902 53.971 -1.997 1.00 67.85 ? 32 LEU v N 1 +ATOM 46644 C CA . LEU HA 16 32 ? -2.308 54.170 -2.341 1.00 65.46 ? 32 LEU v CA 1 +ATOM 46645 C C . LEU HA 16 32 ? -2.717 53.296 -3.525 1.00 64.93 ? 32 LEU v C 1 +ATOM 46646 O O . LEU HA 16 32 ? -3.851 52.797 -3.571 1.00 59.02 ? 32 LEU v O 1 +ATOM 46647 C CB . LEU HA 16 32 ? -2.571 55.649 -2.632 1.00 65.98 ? 32 LEU v CB 1 +ATOM 46648 C CG . LEU HA 16 32 ? -2.376 56.596 -1.434 1.00 80.42 ? 32 LEU v CG 1 +ATOM 46649 C CD1 . LEU HA 16 32 ? -2.126 58.019 -1.898 1.00 75.01 ? 32 LEU v CD1 1 +ATOM 46650 C CD2 . LEU HA 16 32 ? -3.563 56.560 -0.484 1.00 66.11 ? 32 LEU v CD2 1 +ATOM 46651 N N . PHE HA 16 33 ? -1.807 53.102 -4.489 1.00 58.50 ? 33 PHE v N 1 +ATOM 46652 C CA . PHE HA 16 33 ? -2.067 52.164 -5.581 1.00 67.46 ? 33 PHE v CA 1 +ATOM 46653 C C . PHE HA 16 33 ? -2.316 50.748 -5.056 1.00 75.58 ? 33 PHE v C 1 +ATOM 46654 O O . PHE HA 16 33 ? -3.271 50.077 -5.481 1.00 55.61 ? 33 PHE v O 1 +ATOM 46655 C CB . PHE HA 16 33 ? -0.900 52.169 -6.567 1.00 70.74 ? 33 PHE v CB 1 +ATOM 46656 C CG . PHE HA 16 33 ? -1.091 51.256 -7.744 1.00 77.79 ? 33 PHE v CG 1 +ATOM 46657 C CD1 . PHE HA 16 33 ? -1.839 51.661 -8.838 1.00 63.88 ? 33 PHE v CD1 1 +ATOM 46658 C CD2 . PHE HA 16 33 ? -0.512 49.992 -7.760 1.00 65.60 ? 33 PHE v CD2 1 +ATOM 46659 C CE1 . PHE HA 16 33 ? -2.005 50.816 -9.934 1.00 62.74 ? 33 PHE v CE1 1 +ATOM 46660 C CE2 . PHE HA 16 33 ? -0.674 49.150 -8.838 1.00 61.82 ? 33 PHE v CE2 1 +ATOM 46661 C CZ . PHE HA 16 33 ? -1.418 49.555 -9.929 1.00 58.42 ? 33 PHE v CZ 1 +ATOM 46662 N N . GLN HA 16 34 ? -1.483 50.291 -4.108 1.00 60.32 ? 34 GLN v N 1 +ATOM 46663 C CA . GLN HA 16 34 ? -1.704 48.987 -3.491 1.00 65.07 ? 34 GLN v CA 1 +ATOM 46664 C C . GLN HA 16 34 ? -3.027 48.957 -2.753 1.00 70.04 ? 34 GLN v C 1 +ATOM 46665 O O . GLN HA 16 34 ? -3.785 47.986 -2.862 1.00 69.00 ? 34 GLN v O 1 +ATOM 46666 C CB . GLN HA 16 34 ? -0.554 48.638 -2.547 1.00 61.59 ? 34 GLN v CB 1 +ATOM 46667 C CG . GLN HA 16 34 ? 0.769 48.349 -3.252 1.00 75.61 ? 34 GLN v CG 1 +ATOM 46668 C CD . GLN HA 16 34 ? 1.885 47.953 -2.292 1.00 70.94 ? 34 GLN v CD 1 +ATOM 46669 O OE1 . GLN HA 16 34 ? 1.686 47.915 -1.078 1.00 94.57 ? 34 GLN v OE1 1 +ATOM 46670 N NE2 . GLN HA 16 34 ? 3.063 47.661 -2.831 1.00 75.21 ? 34 GLN v NE2 1 +ATOM 46671 N N . TYR HA 16 35 ? -3.331 50.024 -2.011 1.00 68.36 ? 35 TYR v N 1 +ATOM 46672 C CA . TYR HA 16 35 ? -4.548 50.063 -1.206 1.00 64.32 ? 35 TYR v CA 1 +ATOM 46673 C C . TYR HA 16 35 ? -5.798 49.971 -2.075 1.00 72.32 ? 35 TYR v C 1 +ATOM 46674 O O . TYR HA 16 35 ? -6.740 49.237 -1.751 1.00 66.29 ? 35 TYR v O 1 +ATOM 46675 C CB . TYR HA 16 35 ? -4.554 51.345 -0.362 1.00 67.25 ? 35 TYR v CB 1 +ATOM 46676 C CG . TYR HA 16 35 ? -5.925 51.825 0.089 1.00 70.04 ? 35 TYR v CG 1 +ATOM 46677 C CD1 . TYR HA 16 35 ? -6.589 51.212 1.148 1.00 81.80 ? 35 TYR v CD1 1 +ATOM 46678 C CD2 . TYR HA 16 35 ? -6.544 52.906 -0.531 1.00 71.80 ? 35 TYR v CD2 1 +ATOM 46679 C CE1 . TYR HA 16 35 ? -7.840 51.652 1.575 1.00 76.70 ? 35 TYR v CE1 1 +ATOM 46680 C CE2 . TYR HA 16 35 ? -7.796 53.356 -0.117 1.00 85.84 ? 35 TYR v CE2 1 +ATOM 46681 C CZ . TYR HA 16 35 ? -8.441 52.723 0.939 1.00 91.08 ? 35 TYR v CZ 1 +ATOM 46682 O OH . TYR HA 16 35 ? -9.684 53.165 1.361 1.00 81.57 ? 35 TYR v OH 1 +ATOM 46683 N N . ALA HA 16 36 ? -5.810 50.688 -3.204 1.00 68.66 ? 36 ALA v N 1 +ATOM 46684 C CA . ALA HA 16 36 ? -7.027 50.929 -3.961 1.00 66.61 ? 36 ALA v CA 1 +ATOM 46685 C C . ALA HA 16 36 ? -7.062 50.301 -5.352 1.00 65.47 ? 36 ALA v C 1 +ATOM 46686 O O . ALA HA 16 36 ? -8.158 50.137 -5.905 1.00 63.01 ? 36 ALA v O 1 +ATOM 46687 C CB . ALA HA 16 36 ? -7.256 52.446 -4.101 1.00 64.89 ? 36 ALA v CB 1 +ATOM 46688 N N . CYS HA 16 37 ? -5.924 49.964 -5.940 1.00 58.44 ? 37 CYS v N 1 +ATOM 46689 C CA . CYS HA 16 37 ? -5.914 49.572 -7.346 1.00 63.35 ? 37 CYS v CA 1 +ATOM 46690 C C . CYS HA 16 37 ? -5.299 48.214 -7.609 1.00 69.70 ? 37 CYS v C 1 +ATOM 46691 O O . CYS HA 16 37 ? -5.701 47.558 -8.571 1.00 65.42 ? 37 CYS v O 1 +ATOM 46692 C CB . CYS HA 16 37 ? -5.161 50.614 -8.186 1.00 56.80 ? 37 CYS v CB 1 +ATOM 46693 S SG . CYS HA 16 37 ? -5.536 52.315 -7.665 1.00 69.07 ? 37 CYS v SG 1 +ATOM 46694 N N . ALA HA 16 38 ? -4.359 47.768 -6.766 1.00 65.77 ? 38 ALA v N 1 +ATOM 46695 C CA . ALA HA 16 38 ? -3.527 46.616 -7.090 1.00 59.00 ? 38 ALA v CA 1 +ATOM 46696 C C . ALA HA 16 38 ? -4.329 45.323 -7.175 1.00 65.81 ? 38 ALA v C 1 +ATOM 46697 O O . ALA HA 16 38 ? -3.938 44.415 -7.915 1.00 62.90 ? 38 ALA v O 1 +ATOM 46698 C CB . ALA HA 16 38 ? -2.413 46.477 -6.062 1.00 52.19 ? 38 ALA v CB 1 +ATOM 46699 N N . SER HA 16 39 ? -5.454 45.231 -6.455 1.00 53.45 ? 39 SER v N 1 +ATOM 46700 C CA . SER HA 16 39 ? -6.277 44.029 -6.516 1.00 58.13 ? 39 SER v CA 1 +ATOM 46701 C C . SER HA 16 39 ? -6.678 43.683 -7.950 1.00 63.19 ? 39 SER v C 1 +ATOM 46702 O O . SER HA 16 39 ? -6.851 42.500 -8.276 1.00 58.19 ? 39 SER v O 1 +ATOM 46703 C CB . SER HA 16 39 ? -7.510 44.199 -5.632 1.00 61.24 ? 39 SER v CB 1 +ATOM 46704 O OG . SER HA 16 39 ? -8.445 45.079 -6.218 1.00 61.15 ? 39 SER v OG 1 +ATOM 46705 N N . CYS HA 16 40 ? -6.818 44.690 -8.824 1.00 57.79 ? 40 CYS v N 1 +ATOM 46706 C CA . CYS HA 16 40 ? -6.997 44.441 -10.246 1.00 59.32 ? 40 CYS v CA 1 +ATOM 46707 C C . CYS HA 16 40 ? -5.785 44.803 -11.093 1.00 58.47 ? 40 CYS v C 1 +ATOM 46708 O O . CYS HA 16 40 ? -5.616 44.216 -12.164 1.00 61.54 ? 40 CYS v O 1 +ATOM 46709 C CB . CYS HA 16 40 ? -8.222 45.192 -10.784 1.00 52.65 ? 40 CYS v CB 1 +ATOM 46710 S SG . CYS HA 16 40 ? -9.793 44.756 -10.003 1.00 62.49 ? 40 CYS v SG 1 +ATOM 46711 N N . HIS HA 16 41 ? -4.908 45.702 -10.637 1.00 53.84 ? 41 HIS v N 1 +ATOM 46712 C CA . HIS HA 16 41 ? -3.867 46.222 -11.517 1.00 53.27 ? 41 HIS v CA 1 +ATOM 46713 C C . HIS HA 16 41 ? -2.441 45.871 -11.108 1.00 57.75 ? 41 HIS v C 1 +ATOM 46714 O O . HIS HA 16 41 ? -1.510 46.498 -11.627 1.00 58.20 ? 41 HIS v O 1 +ATOM 46715 C CB . HIS HA 16 41 ? -3.981 47.741 -11.660 1.00 60.98 ? 41 HIS v CB 1 +ATOM 46716 C CG . HIS HA 16 41 ? -5.160 48.179 -12.469 1.00 70.95 ? 41 HIS v CG 1 +ATOM 46717 N ND1 . HIS HA 16 41 ? -5.235 47.998 -13.833 1.00 67.72 ? 41 HIS v ND1 1 +ATOM 46718 C CD2 . HIS HA 16 41 ? -6.324 48.767 -12.102 1.00 62.72 ? 41 HIS v CD2 1 +ATOM 46719 C CE1 . HIS HA 16 41 ? -6.389 48.469 -14.273 1.00 64.08 ? 41 HIS v CE1 1 +ATOM 46720 N NE2 . HIS HA 16 41 ? -7.062 48.949 -13.246 1.00 64.06 ? 41 HIS v NE2 1 +ATOM 46721 N N . VAL HA 16 42 ? -2.236 44.881 -10.230 1.00 53.90 ? 42 VAL v N 1 +ATOM 46722 C CA . VAL HA 16 42 ? -0.892 44.496 -9.782 1.00 54.41 ? 42 VAL v CA 1 +ATOM 46723 C C . VAL HA 16 42 ? 0.074 44.431 -10.964 1.00 57.82 ? 42 VAL v C 1 +ATOM 46724 O O . VAL HA 16 42 ? -0.242 43.837 -11.995 1.00 58.22 ? 42 VAL v O 1 +ATOM 46725 C CB . VAL HA 16 42 ? -0.903 43.144 -9.022 1.00 57.70 ? 42 VAL v CB 1 +ATOM 46726 C CG1 . VAL HA 16 42 ? -1.666 42.045 -9.805 1.00 58.21 ? 42 VAL v CG1 1 +ATOM 46727 C CG2 . VAL HA 16 42 ? 0.532 42.676 -8.756 1.00 52.24 ? 42 VAL v CG2 1 +ATOM 46728 N N . GLY HA 16 43 ? 1.245 45.052 -10.835 1.00 54.80 ? 43 GLY v N 1 +ATOM 46729 C CA . GLY HA 16 43 ? 2.243 44.976 -11.886 1.00 48.94 ? 43 GLY v CA 1 +ATOM 46730 C C . GLY HA 16 43 ? 1.879 45.663 -13.185 1.00 63.21 ? 43 GLY v C 1 +ATOM 46731 O O . GLY HA 16 43 ? 2.632 45.537 -14.171 1.00 60.18 ? 43 GLY v O 1 +ATOM 46732 N N . GLY HA 16 44 ? 0.756 46.373 -13.238 1.00 55.30 ? 44 GLY v N 1 +ATOM 46733 C CA . GLY HA 16 44 ? 0.414 47.165 -14.405 1.00 59.22 ? 44 GLY v CA 1 +ATOM 46734 C C . GLY HA 16 44 ? -0.542 46.527 -15.391 1.00 62.19 ? 44 GLY v C 1 +ATOM 46735 O O . GLY HA 16 44 ? -0.802 47.123 -16.437 1.00 63.58 ? 44 GLY v O 1 +ATOM 46736 N N A ILE HA 16 45 ? -1.078 45.350 -15.094 0.40 54.15 ? 45 ILE v N 1 +ATOM 46737 N N B ILE HA 16 45 ? -1.068 45.336 -15.097 0.60 54.08 ? 45 ILE v N 1 +ATOM 46738 C CA A ILE HA 16 45 ? -2.035 44.676 -15.972 0.40 53.42 ? 45 ILE v CA 1 +ATOM 46739 C CA B ILE HA 16 45 ? -2.039 44.681 -15.973 0.60 53.32 ? 45 ILE v CA 1 +ATOM 46740 C C A ILE HA 16 45 ? -3.436 44.972 -15.454 0.40 58.27 ? 45 ILE v C 1 +ATOM 46741 C C B ILE HA 16 45 ? -3.440 44.960 -15.443 0.60 58.34 ? 45 ILE v C 1 +ATOM 46742 O O A ILE HA 16 45 ? -3.606 45.819 -14.572 0.40 56.07 ? 45 ILE v O 1 +ATOM 46743 O O B ILE HA 16 45 ? -3.616 45.784 -14.539 0.60 56.02 ? 45 ILE v O 1 +ATOM 46744 C CB A ILE HA 16 45 ? -1.778 43.159 -16.024 0.40 63.02 ? 45 ILE v CB 1 +ATOM 46745 C CB B ILE HA 16 45 ? -1.779 43.166 -16.063 0.60 63.01 ? 45 ILE v CB 1 +ATOM 46746 C CG1 A ILE HA 16 45 ? -1.960 42.552 -14.616 0.40 59.58 ? 45 ILE v CG1 1 +ATOM 46747 C CG1 B ILE HA 16 45 ? -1.926 42.525 -14.673 0.60 59.74 ? 45 ILE v CG1 1 +ATOM 46748 C CG2 A ILE HA 16 45 ? -0.375 42.863 -16.567 0.40 47.96 ? 45 ILE v CG2 1 +ATOM 46749 C CG2 B ILE HA 16 45 ? -0.393 42.880 -16.626 0.60 47.81 ? 45 ILE v CG2 1 +ATOM 46750 C CD1 A ILE HA 16 45 ? -2.235 41.088 -14.625 0.40 77.87 ? 45 ILE v CD1 1 +ATOM 46751 C CD1 B ILE HA 16 45 ? -2.243 41.057 -14.736 0.60 78.17 ? 45 ILE v CD1 1 +ATOM 46752 N N . THR HA 16 46 ? -4.443 44.273 -15.989 1.00 51.44 ? 46 THR v N 1 +ATOM 46753 C CA . THR HA 16 46 ? -5.831 44.403 -15.520 1.00 58.47 ? 46 THR v CA 1 +ATOM 46754 C C . THR HA 16 46 ? -6.442 43.003 -15.484 1.00 63.16 ? 46 THR v C 1 +ATOM 46755 O O . THR HA 16 46 ? -6.805 42.446 -16.526 1.00 53.27 ? 46 THR v O 1 +ATOM 46756 C CB . THR HA 16 46 ? -6.642 45.334 -16.419 1.00 66.10 ? 46 THR v CB 1 +ATOM 46757 O OG1 . THR HA 16 46 ? -5.979 46.599 -16.522 1.00 61.53 ? 46 THR v OG1 1 +ATOM 46758 C CG2 . THR HA 16 46 ? -8.069 45.529 -15.886 1.00 54.12 ? 46 THR v CG2 1 +ATOM 46759 N N A LYS HA 16 47 ? -6.570 42.442 -14.284 0.40 53.81 ? 47 LYS v N 1 +ATOM 46760 N N B LYS HA 16 47 ? -6.574 42.449 -14.274 0.60 53.75 ? 47 LYS v N 1 +ATOM 46761 C CA A LYS HA 16 47 ? -6.995 41.058 -14.155 0.40 55.04 ? 47 LYS v CA 1 +ATOM 46762 C CA B LYS HA 16 47 ? -6.996 41.063 -14.146 0.60 55.02 ? 47 LYS v CA 1 +ATOM 46763 C C A LYS HA 16 47 ? -8.394 40.831 -14.701 0.40 61.46 ? 47 LYS v C 1 +ATOM 46764 C C B LYS HA 16 47 ? -8.388 40.833 -14.714 0.60 61.61 ? 47 LYS v C 1 +ATOM 46765 O O A LYS HA 16 47 ? -8.704 39.722 -15.153 0.40 56.24 ? 47 LYS v O 1 +ATOM 46766 O O B LYS HA 16 47 ? -8.678 39.738 -15.212 0.60 56.27 ? 47 LYS v O 1 +ATOM 46767 C CB A LYS HA 16 47 ? -6.919 40.635 -12.690 0.40 53.75 ? 47 LYS v CB 1 +ATOM 46768 C CB B LYS HA 16 47 ? -6.931 40.629 -12.682 0.60 53.70 ? 47 LYS v CB 1 +ATOM 46769 C CG A LYS HA 16 47 ? -5.499 40.498 -12.212 0.40 58.04 ? 47 LYS v CG 1 +ATOM 46770 C CG B LYS HA 16 47 ? -5.506 40.527 -12.176 0.60 58.06 ? 47 LYS v CG 1 +ATOM 46771 C CD A LYS HA 16 47 ? -5.431 39.844 -10.845 0.40 58.76 ? 47 LYS v CD 1 +ATOM 46772 C CD B LYS HA 16 47 ? -5.412 39.837 -10.844 0.60 58.70 ? 47 LYS v CD 1 +ATOM 46773 C CE A LYS HA 16 47 ? -4.015 39.343 -10.587 0.40 63.32 ? 47 LYS v CE 1 +ATOM 46774 C CE B LYS HA 16 47 ? -3.996 39.322 -10.642 0.60 63.23 ? 47 LYS v CE 1 +ATOM 46775 N NZ A LYS HA 16 47 ? -3.801 38.932 -9.173 0.40 62.90 ? 47 LYS v NZ 1 +ATOM 46776 N NZ B LYS HA 16 47 ? -3.786 38.742 -9.289 0.60 61.88 ? 47 LYS v NZ 1 +ATOM 46777 N N . THR HA 16 48 ? -9.261 41.831 -14.654 1.00 53.11 ? 48 THR v N 1 +ATOM 46778 C CA . THR HA 16 48 ? -10.624 41.649 -15.136 1.00 59.80 ? 48 THR v CA 1 +ATOM 46779 C C . THR HA 16 48 ? -10.793 42.060 -16.594 1.00 60.16 ? 48 THR v C 1 +ATOM 46780 O O . THR HA 16 48 ? -11.875 41.872 -17.160 1.00 60.09 ? 48 THR v O 1 +ATOM 46781 C CB . THR HA 16 48 ? -11.610 42.404 -14.241 1.00 66.21 ? 48 THR v CB 1 +ATOM 46782 O OG1 . THR HA 16 48 ? -11.243 43.789 -14.169 1.00 61.87 ? 48 THR v OG1 1 +ATOM 46783 C CG2 . THR HA 16 48 ? -11.608 41.777 -12.817 1.00 55.80 ? 48 THR v CG2 1 +ATOM 46784 N N . ASN HA 16 49 ? -9.750 42.589 -17.216 1.00 55.89 ? 49 ASN v N 1 +ATOM 46785 C CA . ASN HA 16 49 ? -9.750 42.805 -18.660 1.00 58.70 ? 49 ASN v CA 1 +ATOM 46786 C C . ASN HA 16 49 ? -8.307 42.912 -19.118 1.00 56.56 ? 49 ASN v C 1 +ATOM 46787 O O . ASN HA 16 49 ? -7.767 44.025 -19.241 1.00 58.26 ? 49 ASN v O 1 +ATOM 46788 C CB . ASN HA 16 49 ? -10.514 44.059 -19.076 1.00 54.71 ? 49 ASN v CB 1 +ATOM 46789 C CG . ASN HA 16 49 ? -10.695 44.122 -20.583 1.00 69.78 ? 49 ASN v CG 1 +ATOM 46790 O OD1 . ASN HA 16 49 ? -10.006 43.410 -21.322 1.00 58.00 ? 49 ASN v OD1 1 +ATOM 46791 N ND2 . ASN HA 16 49 ? -11.617 44.959 -21.047 1.00 61.28 ? 49 ASN v ND2 1 +ATOM 46792 N N A PRO HA 16 50 ? -7.650 41.782 -19.380 0.40 60.37 ? 50 PRO v N 1 +ATOM 46793 N N B PRO HA 16 50 ? -7.640 41.784 -19.369 0.60 60.46 ? 50 PRO v N 1 +ATOM 46794 C CA A PRO HA 16 50 ? -6.207 41.830 -19.664 0.40 54.44 ? 50 PRO v CA 1 +ATOM 46795 C CA B PRO HA 16 50 ? -6.199 41.831 -19.665 0.60 54.31 ? 50 PRO v CA 1 +ATOM 46796 C C A PRO HA 16 50 ? -5.851 42.543 -20.957 0.40 55.16 ? 50 PRO v C 1 +ATOM 46797 C C B PRO HA 16 50 ? -5.851 42.557 -20.952 0.60 55.12 ? 50 PRO v C 1 +ATOM 46798 O O A PRO HA 16 50 ? -4.666 42.823 -21.170 0.40 60.49 ? 50 PRO v O 1 +ATOM 46799 O O B PRO HA 16 50 ? -4.669 42.854 -21.163 0.60 60.62 ? 50 PRO v O 1 +ATOM 46800 C CB A PRO HA 16 50 ? -5.817 40.345 -19.712 0.40 61.17 ? 50 PRO v CB 1 +ATOM 46801 C CB B PRO HA 16 50 ? -5.812 40.345 -19.727 0.60 61.26 ? 50 PRO v CB 1 +ATOM 46802 C CG A PRO HA 16 50 ? -6.858 39.676 -18.793 0.40 52.65 ? 50 PRO v CG 1 +ATOM 46803 C CG B PRO HA 16 50 ? -6.819 39.674 -18.798 0.60 52.56 ? 50 PRO v CG 1 +ATOM 46804 C CD A PRO HA 16 50 ? -8.127 40.402 -19.145 0.40 61.68 ? 50 PRO v CD 1 +ATOM 46805 C CD B PRO HA 16 50 ? -8.101 40.408 -19.082 0.60 61.79 ? 50 PRO v CD 1 +ATOM 46806 N N . SER HA 16 51 ? -6.828 42.875 -21.806 1.00 60.14 ? 51 SER v N 1 +ATOM 46807 C CA . SER HA 16 51 ? -6.524 43.590 -23.047 1.00 63.35 ? 51 SER v CA 1 +ATOM 46808 C C . SER HA 16 51 ? -6.049 45.017 -22.801 1.00 61.90 ? 51 SER v C 1 +ATOM 46809 O O . SER HA 16 51 ? -5.366 45.582 -23.658 1.00 65.78 ? 51 SER v O 1 +ATOM 46810 C CB . SER HA 16 51 ? -7.747 43.618 -23.957 1.00 57.48 ? 51 SER v CB 1 +ATOM 46811 O OG . SER HA 16 51 ? -8.036 42.328 -24.431 1.00 59.01 ? 51 SER v OG 1 +ATOM 46812 N N . LEU HA 16 52 ? -6.383 45.604 -21.655 1.00 61.47 ? 52 LEU v N 1 +ATOM 46813 C CA . LEU HA 16 52 ? -6.034 46.979 -21.326 1.00 55.28 ? 52 LEU v CA 1 +ATOM 46814 C C . LEU HA 16 52 ? -5.039 46.959 -20.175 1.00 66.49 ? 52 LEU v C 1 +ATOM 46815 O O . LEU HA 16 52 ? -5.325 46.389 -19.117 1.00 67.31 ? 52 LEU v O 1 +ATOM 46816 C CB . LEU HA 16 52 ? -7.286 47.767 -20.953 1.00 63.89 ? 52 LEU v CB 1 +ATOM 46817 C CG . LEU HA 16 52 ? -8.251 47.989 -22.129 1.00 71.92 ? 52 LEU v CG 1 +ATOM 46818 C CD1 . LEU HA 16 52 ? -9.551 48.623 -21.674 1.00 70.49 ? 52 LEU v CD1 1 +ATOM 46819 C CD2 . LEU HA 16 52 ? -7.608 48.836 -23.229 1.00 59.39 ? 52 LEU v CD2 1 +ATOM 46820 N N . ASP HA 16 53 ? -3.866 47.538 -20.381 1.00 52.27 ? 53 ASP v N 1 +ATOM 46821 C CA . ASP HA 16 53 ? -2.902 47.599 -19.294 1.00 62.04 ? 53 ASP v CA 1 +ATOM 46822 C C . ASP HA 16 53 ? -2.669 49.065 -18.902 1.00 64.01 ? 53 ASP v C 1 +ATOM 46823 O O . ASP HA 16 53 ? -3.393 49.965 -19.322 1.00 67.72 ? 53 ASP v O 1 +ATOM 46824 C CB . ASP HA 16 53 ? -1.611 46.871 -19.676 1.00 54.03 ? 53 ASP v CB 1 +ATOM 46825 C CG . ASP HA 16 53 ? -0.942 47.449 -20.915 1.00 62.79 ? 53 ASP v CG 1 +ATOM 46826 O OD1 . ASP HA 16 53 ? -0.900 48.684 -21.062 1.00 59.05 ? 53 ASP v OD1 1 +ATOM 46827 O OD2 . ASP HA 16 53 ? -0.424 46.656 -21.735 1.00 63.66 ? 53 ASP v OD2 1 +ATOM 46828 N N . LEU HA 16 54 ? -1.660 49.287 -18.065 1.00 60.98 ? 54 LEU v N 1 +ATOM 46829 C CA . LEU HA 16 54 ? -1.273 50.622 -17.621 1.00 60.08 ? 54 LEU v CA 1 +ATOM 46830 C C . LEU HA 16 54 ? 0.093 51.013 -18.169 1.00 63.18 ? 54 LEU v C 1 +ATOM 46831 O O . LEU HA 16 54 ? 0.803 51.812 -17.550 1.00 61.36 ? 54 LEU v O 1 +ATOM 46832 C CB . LEU HA 16 54 ? -1.274 50.712 -16.089 1.00 59.73 ? 54 LEU v CB 1 +ATOM 46833 C CG . LEU HA 16 54 ? -2.548 50.253 -15.359 1.00 62.17 ? 54 LEU v CG 1 +ATOM 46834 C CD1 . LEU HA 16 54 ? -2.446 50.517 -13.859 1.00 60.48 ? 54 LEU v CD1 1 +ATOM 46835 C CD2 . LEU HA 16 54 ? -3.826 50.891 -15.934 1.00 64.44 ? 54 LEU v CD2 1 +ATOM 46836 N N . ARG HA 16 55 ? 0.497 50.414 -19.291 1.00 54.39 ? 55 ARG v N 1 +ATOM 46837 C CA . ARG HA 16 55 ? 1.713 50.844 -19.961 1.00 64.80 ? 55 ARG v CA 1 +ATOM 46838 C C . ARG HA 16 55 ? 1.536 52.270 -20.463 1.00 69.32 ? 55 ARG v C 1 +ATOM 46839 O O . ARG HA 16 55 ? 0.442 52.676 -20.875 1.00 63.47 ? 55 ARG v O 1 +ATOM 46840 C CB . ARG HA 16 55 ? 2.045 49.913 -21.126 1.00 62.00 ? 55 ARG v CB 1 +ATOM 46841 C CG . ARG HA 16 55 ? 2.422 48.509 -20.696 1.00 69.90 ? 55 ARG v CG 1 +ATOM 46842 C CD . ARG HA 16 55 ? 2.974 47.709 -21.854 1.00 61.00 ? 55 ARG v CD 1 +ATOM 46843 N NE . ARG HA 16 55 ? 4.116 46.907 -21.433 1.00 100.09 ? 55 ARG v NE 1 +ATOM 46844 C CZ . ARG HA 16 55 ? 4.357 45.661 -21.833 1.00 103.86 ? 55 ARG v CZ 1 +ATOM 46845 N NH1 . ARG HA 16 55 ? 3.531 45.023 -22.653 1.00 108.13 ? 55 ARG v NH1 1 +ATOM 46846 N NH2 . ARG HA 16 55 ? 5.453 45.038 -21.401 1.00 72.46 ? 55 ARG v NH2 1 +ATOM 46847 N N . THR HA 16 56 ? 2.625 53.035 -20.414 1.00 67.60 ? 56 THR v N 1 +ATOM 46848 C CA . THR HA 16 56 ? 2.565 54.422 -20.846 1.00 61.24 ? 56 THR v CA 1 +ATOM 46849 C C . THR HA 16 56 ? 2.101 54.522 -22.296 1.00 76.37 ? 56 THR v C 1 +ATOM 46850 O O . THR HA 16 56 ? 1.244 55.354 -22.621 1.00 67.82 ? 56 THR v O 1 +ATOM 46851 C CB . THR HA 16 56 ? 3.933 55.070 -20.651 1.00 70.15 ? 56 THR v CB 1 +ATOM 46852 O OG1 . THR HA 16 56 ? 4.261 55.036 -19.257 1.00 75.36 ? 56 THR v OG1 1 +ATOM 46853 C CG2 . THR HA 16 56 ? 3.912 56.518 -21.109 1.00 67.36 ? 56 THR v CG2 1 +ATOM 46854 N N . GLU HA 16 57 ? 2.637 53.656 -23.173 1.00 64.69 ? 57 GLU v N 1 +ATOM 46855 C CA . GLU HA 16 57 ? 2.238 53.643 -24.577 1.00 66.13 ? 57 GLU v CA 1 +ATOM 46856 C C . GLU HA 16 57 ? 0.753 53.364 -24.733 1.00 65.23 ? 57 GLU v C 1 +ATOM 46857 O O . GLU HA 16 57 ? 0.103 53.912 -25.629 1.00 72.39 ? 57 GLU v O 1 +ATOM 46858 C CB . GLU HA 16 57 ? 3.036 52.592 -25.352 1.00 63.98 ? 57 GLU v CB 1 +ATOM 46859 C CG . GLU HA 16 57 ? 4.554 52.745 -25.283 1.00 95.13 ? 57 GLU v CG 1 +ATOM 46860 C CD . GLU HA 16 57 ? 5.150 52.227 -23.972 1.00 101.86 ? 57 GLU v CD 1 +ATOM 46861 O OE1 . GLU HA 16 57 ? 4.382 51.756 -23.103 1.00 79.97 ? 57 GLU v OE1 1 +ATOM 46862 O OE2 . GLU HA 16 57 ? 6.391 52.289 -23.813 1.00 115.36 ? 57 GLU v OE2 1 +ATOM 46863 N N . THR HA 16 58 ? 0.200 52.517 -23.878 1.00 63.46 ? 58 THR v N 1 +ATOM 46864 C CA . THR HA 16 58 ? -1.222 52.227 -23.962 1.00 67.16 ? 58 THR v CA 1 +ATOM 46865 C C . THR HA 16 58 ? -2.039 53.427 -23.530 1.00 68.04 ? 58 THR v C 1 +ATOM 46866 O O . THR HA 16 58 ? -3.083 53.715 -24.125 1.00 69.67 ? 58 THR v O 1 +ATOM 46867 C CB . THR HA 16 58 ? -1.563 51.017 -23.089 1.00 69.32 ? 58 THR v CB 1 +ATOM 46868 O OG1 . THR HA 16 58 ? -0.636 49.957 -23.362 1.00 57.48 ? 58 THR v OG1 1 +ATOM 46869 C CG2 . THR HA 16 58 ? -3.001 50.560 -23.334 1.00 51.19 ? 58 THR v CG2 1 +ATOM 46870 N N . LEU HA 16 59 ? -1.585 54.116 -22.477 1.00 62.91 ? 59 LEU v N 1 +ATOM 46871 C CA . LEU HA 16 59 ? -2.278 55.301 -21.976 1.00 71.47 ? 59 LEU v CA 1 +ATOM 46872 C C . LEU HA 16 59 ? -2.256 56.432 -23.001 1.00 73.58 ? 59 LEU v C 1 +ATOM 46873 O O . LEU HA 16 59 ? -3.253 57.152 -23.158 1.00 67.44 ? 59 LEU v O 1 +ATOM 46874 C CB . LEU HA 16 59 ? -1.650 55.756 -20.658 1.00 62.80 ? 59 LEU v CB 1 +ATOM 46875 C CG . LEU HA 16 59 ? -1.767 54.741 -19.514 1.00 68.76 ? 59 LEU v CG 1 +ATOM 46876 C CD1 . LEU HA 16 59 ? -0.873 55.106 -18.325 1.00 62.55 ? 59 LEU v CD1 1 +ATOM 46877 C CD2 . LEU HA 16 59 ? -3.226 54.559 -19.064 1.00 63.90 ? 59 LEU v CD2 1 +ATOM 46878 N N . ALA HA 16 60 ? -1.132 56.581 -23.724 1.00 65.53 ? 60 ALA v N 1 +ATOM 46879 C CA . ALA HA 16 60 ? -1.011 57.621 -24.746 1.00 69.54 ? 60 ALA v CA 1 +ATOM 46880 C C . ALA HA 16 60 ? -2.098 57.499 -25.808 1.00 79.78 ? 60 ALA v C 1 +ATOM 46881 O O . ALA HA 16 60 ? -2.638 58.513 -26.271 1.00 73.19 ? 60 ALA v O 1 +ATOM 46882 C CB . ALA HA 16 60 ? 0.371 57.557 -25.391 1.00 65.67 ? 60 ALA v CB 1 +ATOM 46883 N N . LEU HA 16 61 ? -2.448 56.271 -26.191 1.00 64.73 ? 61 LEU v N 1 +ATOM 46884 C CA . LEU HA 16 61 ? -3.434 56.035 -27.233 1.00 63.26 ? 61 LEU v CA 1 +ATOM 46885 C C . LEU HA 16 61 ? -4.862 55.961 -26.707 1.00 62.11 ? 61 LEU v C 1 +ATOM 46886 O O . LEU HA 16 61 ? -5.788 55.791 -27.507 1.00 69.56 ? 61 LEU v O 1 +ATOM 46887 C CB . LEU HA 16 61 ? -3.087 54.751 -28.005 1.00 67.69 ? 61 LEU v CB 1 +ATOM 46888 C CG . LEU HA 16 61 ? -1.786 54.847 -28.813 1.00 75.75 ? 61 LEU v CG 1 +ATOM 46889 C CD1 . LEU HA 16 61 ? -1.400 53.523 -29.419 1.00 78.92 ? 61 LEU v CD1 1 +ATOM 46890 C CD2 . LEU HA 16 61 ? -1.914 55.895 -29.898 1.00 76.55 ? 61 LEU v CD2 1 +ATOM 46891 N N . ALA HA 16 62 ? -5.071 56.078 -25.400 1.00 58.93 ? 62 ALA v N 1 +ATOM 46892 C CA . ALA HA 16 62 ? -6.429 56.236 -24.891 1.00 71.04 ? 62 ALA v CA 1 +ATOM 46893 C C . ALA HA 16 62 ? -7.046 57.552 -25.380 1.00 78.29 ? 62 ALA v C 1 +ATOM 46894 O O . ALA HA 16 62 ? -6.351 58.481 -25.795 1.00 63.89 ? 62 ALA v O 1 +ATOM 46895 C CB . ALA HA 16 62 ? -6.441 56.214 -23.360 1.00 59.27 ? 62 ALA v CB 1 +ATOM 46896 N N . THR HA 16 63 ? -8.373 57.623 -25.309 1.00 60.49 ? 63 THR v N 1 +ATOM 46897 C CA . THR HA 16 63 ? -9.115 58.831 -25.636 1.00 71.24 ? 63 THR v CA 1 +ATOM 46898 C C . THR HA 16 63 ? -9.936 59.276 -24.435 1.00 67.84 ? 63 THR v C 1 +ATOM 46899 O O . THR HA 16 63 ? -10.861 58.554 -24.025 1.00 68.75 ? 63 THR v O 1 +ATOM 46900 C CB . THR HA 16 63 ? -10.022 58.617 -26.847 1.00 66.67 ? 63 THR v CB 1 +ATOM 46901 O OG1 . THR HA 16 63 ? -9.206 58.305 -27.976 1.00 70.79 ? 63 THR v OG1 1 +ATOM 46902 C CG2 . THR HA 16 63 ? -10.822 59.902 -27.148 1.00 71.72 ? 63 THR v CG2 1 +ATOM 46903 N N . PRO HA 16 64 ? -9.659 60.452 -23.853 1.00 74.54 ? 64 PRO v N 1 +ATOM 46904 C CA . PRO HA 16 64 ? -8.540 61.317 -24.244 1.00 74.76 ? 64 PRO v CA 1 +ATOM 46905 C C . PRO HA 16 64 ? -7.254 60.762 -23.632 1.00 79.91 ? 64 PRO v C 1 +ATOM 46906 O O . PRO HA 16 64 ? -7.363 59.886 -22.783 1.00 73.89 ? 64 PRO v O 1 +ATOM 46907 C CB . PRO HA 16 64 ? -8.922 62.665 -23.630 1.00 64.13 ? 64 PRO v CB 1 +ATOM 46908 C CG . PRO HA 16 64 ? -9.649 62.284 -22.401 1.00 64.58 ? 64 PRO v CG 1 +ATOM 46909 C CD . PRO HA 16 64 ? -10.412 61.022 -22.717 1.00 68.09 ? 64 PRO v CD 1 +ATOM 46910 N N . PRO HA 16 65 ? -6.083 61.257 -24.032 1.00 76.90 ? 65 PRO v N 1 +ATOM 46911 C CA . PRO HA 16 65 ? -4.831 60.658 -23.548 1.00 74.98 ? 65 PRO v CA 1 +ATOM 46912 C C . PRO HA 16 65 ? -4.781 60.594 -22.028 1.00 82.02 ? 65 PRO v C 1 +ATOM 46913 O O . PRO HA 16 65 ? -5.267 61.484 -21.333 1.00 76.37 ? 65 PRO v O 1 +ATOM 46914 C CB . PRO HA 16 65 ? -3.752 61.590 -24.110 1.00 81.10 ? 65 PRO v CB 1 +ATOM 46915 C CG . PRO HA 16 65 ? -4.384 62.185 -25.325 1.00 85.52 ? 65 PRO v CG 1 +ATOM 46916 C CD . PRO HA 16 65 ? -5.836 62.365 -24.967 1.00 67.83 ? 65 PRO v CD 1 +ATOM 46917 N N . ARG HA 16 66 ? -4.207 59.508 -21.507 1.00 75.56 ? 66 ARG v N 1 +ATOM 46918 C CA . ARG HA 16 66 ? -4.073 59.329 -20.069 1.00 61.09 ? 66 ARG v CA 1 +ATOM 46919 C C . ARG HA 16 66 ? -2.621 59.137 -19.655 1.00 67.65 ? 66 ARG v C 1 +ATOM 46920 O O . ARG HA 16 66 ? -2.355 58.634 -18.565 1.00 76.90 ? 66 ARG v O 1 +ATOM 46921 C CB . ARG HA 16 66 ? -4.925 58.154 -19.597 1.00 61.43 ? 66 ARG v CB 1 +ATOM 46922 C CG . ARG HA 16 66 ? -6.332 58.141 -20.165 1.00 63.20 ? 66 ARG v CG 1 +ATOM 46923 C CD . ARG HA 16 66 ? -7.206 59.221 -19.567 1.00 64.25 ? 66 ARG v CD 1 +ATOM 46924 N NE . ARG HA 16 66 ? -8.614 58.971 -19.856 1.00 69.16 ? 66 ARG v NE 1 +ATOM 46925 C CZ . ARG HA 16 66 ? -9.616 59.673 -19.347 1.00 65.71 ? 66 ARG v CZ 1 +ATOM 46926 N NH1 . ARG HA 16 66 ? -9.399 60.677 -18.520 1.00 73.34 ? 66 ARG v NH1 1 +ATOM 46927 N NH2 . ARG HA 16 66 ? -10.866 59.361 -19.679 1.00 71.79 ? 66 ARG v NH2 1 +ATOM 46928 N N . ASP HA 16 67 ? -1.677 59.522 -20.505 1.00 67.51 ? 67 ASP v N 1 +ATOM 46929 C CA . ASP HA 16 67 ? -0.250 59.400 -20.207 1.00 64.38 ? 67 ASP v CA 1 +ATOM 46930 C C . ASP HA 16 67 ? 0.312 60.659 -19.585 1.00 72.16 ? 67 ASP v C 1 +ATOM 46931 O O . ASP HA 16 67 ? 1.434 61.069 -19.911 1.00 70.21 ? 67 ASP v O 1 +ATOM 46932 C CB . ASP HA 16 67 ? 0.509 59.060 -21.481 1.00 67.48 ? 67 ASP v CB 1 +ATOM 46933 C CG . ASP HA 16 67 ? 0.318 60.103 -22.542 1.00 75.86 ? 67 ASP v CG 1 +ATOM 46934 O OD1 . ASP HA 16 67 ? -0.737 60.776 -22.509 1.00 74.05 ? 67 ASP v OD1 1 +ATOM 46935 O OD2 . ASP HA 16 67 ? 1.208 60.248 -23.404 1.00 75.72 ? 67 ASP v OD2 1 +ATOM 46936 N N . ASN HA 16 68 ? -0.452 61.295 -18.704 1.00 63.16 ? 68 ASN v N 1 +ATOM 46937 C CA . ASN HA 16 68 ? 0.003 62.476 -17.992 1.00 72.39 ? 68 ASN v CA 1 +ATOM 46938 C C . ASN HA 16 68 ? -0.866 62.620 -16.757 1.00 76.80 ? 68 ASN v C 1 +ATOM 46939 O O . ASN HA 16 68 ? -1.939 62.012 -16.665 1.00 70.26 ? 68 ASN v O 1 +ATOM 46940 C CB . ASN HA 16 68 ? -0.080 63.734 -18.873 1.00 76.50 ? 68 ASN v CB 1 +ATOM 46941 C CG . ASN HA 16 68 ? -1.473 63.959 -19.417 1.00 78.82 ? 68 ASN v CG 1 +ATOM 46942 O OD1 . ASN HA 16 68 ? -2.385 64.333 -18.671 1.00 75.12 ? 68 ASN v OD1 1 +ATOM 46943 N ND2 . ASN HA 16 68 ? -1.658 63.704 -20.711 1.00 74.54 ? 68 ASN v ND2 1 +ATOM 46944 N N . ILE HA 16 69 ? -0.403 63.460 -15.821 1.00 69.60 ? 69 ILE v N 1 +ATOM 46945 C CA . ILE HA 16 69 ? -1.023 63.530 -14.495 1.00 69.61 ? 69 ILE v CA 1 +ATOM 46946 C C . ILE HA 16 69 ? -2.498 63.905 -14.595 1.00 74.55 ? 69 ILE v C 1 +ATOM 46947 O O . ILE HA 16 69 ? -3.359 63.264 -13.983 1.00 72.93 ? 69 ILE v O 1 +ATOM 46948 C CB . ILE HA 16 69 ? -0.262 64.519 -13.596 1.00 84.65 ? 69 ILE v CB 1 +ATOM 46949 C CG1 . ILE HA 16 69 ? 1.195 64.085 -13.428 1.00 76.57 ? 69 ILE v CG1 1 +ATOM 46950 C CG2 . ILE HA 16 69 ? -0.962 64.645 -12.255 1.00 77.66 ? 69 ILE v CG2 1 +ATOM 46951 C CD1 . ILE HA 16 69 ? 1.352 62.802 -12.669 1.00 70.75 ? 69 ILE v CD1 1 +ATOM 46952 N N . GLU HA 16 70 ? -2.813 64.960 -15.355 1.00 74.26 ? 70 GLU v N 1 +ATOM 46953 C CA . GLU HA 16 70 ? -4.187 65.453 -15.375 1.00 80.90 ? 70 GLU v CA 1 +ATOM 46954 C C . GLU HA 16 70 ? -5.130 64.447 -16.023 1.00 72.38 ? 70 GLU v C 1 +ATOM 46955 O O . GLU HA 16 70 ? -6.244 64.220 -15.529 1.00 72.34 ? 70 GLU v O 1 +ATOM 46956 C CB . GLU HA 16 70 ? -4.253 66.796 -16.099 1.00 88.01 ? 70 GLU v CB 1 +ATOM 46957 C CG . GLU HA 16 70 ? -3.864 67.991 -15.227 1.00 119.10 ? 70 GLU v CG 1 +ATOM 46958 C CD . GLU HA 16 70 ? -3.520 69.232 -16.048 1.00 110.89 ? 70 GLU v CD 1 +ATOM 46959 O OE1 . GLU HA 16 70 ? -4.136 69.442 -17.118 1.00 90.78 ? 70 GLU v OE1 1 +ATOM 46960 O OE2 . GLU HA 16 70 ? -2.618 69.983 -15.622 1.00 105.74 ? 70 GLU v OE2 1 +ATOM 46961 N N . GLY HA 16 71 ? -4.696 63.829 -17.122 1.00 68.21 ? 71 GLY v N 1 +ATOM 46962 C CA . GLY HA 16 71 ? -5.503 62.789 -17.739 1.00 72.76 ? 71 GLY v CA 1 +ATOM 46963 C C . GLY HA 16 71 ? -5.754 61.605 -16.819 1.00 64.70 ? 71 GLY v C 1 +ATOM 46964 O O . GLY HA 16 71 ? -6.853 61.044 -16.801 1.00 66.92 ? 71 GLY v O 1 +ATOM 46965 N N . LEU HA 16 72 ? -4.744 61.215 -16.034 1.00 61.96 ? 72 LEU v N 1 +ATOM 46966 C CA . LEU HA 16 72 ? -4.941 60.117 -15.083 1.00 67.01 ? 72 LEU v CA 1 +ATOM 46967 C C . LEU HA 16 72 ? -5.838 60.537 -13.925 1.00 73.05 ? 72 LEU v C 1 +ATOM 46968 O O . LEU HA 16 72 ? -6.693 59.760 -13.478 1.00 66.26 ? 72 LEU v O 1 +ATOM 46969 C CB . LEU HA 16 72 ? -3.590 59.616 -14.572 1.00 70.20 ? 72 LEU v CB 1 +ATOM 46970 C CG . LEU HA 16 72 ? -2.871 58.632 -15.508 1.00 82.25 ? 72 LEU v CG 1 +ATOM 46971 C CD1 . LEU HA 16 72 ? -1.475 58.252 -15.004 1.00 63.42 ? 72 LEU v CD1 1 +ATOM 46972 C CD2 . LEU HA 16 72 ? -3.742 57.388 -15.724 1.00 63.01 ? 72 LEU v CD2 1 +ATOM 46973 N N . VAL HA 16 73 ? -5.660 61.766 -13.426 1.00 77.35 ? 73 VAL v N 1 +ATOM 46974 C CA . VAL HA 16 73 ? -6.510 62.253 -12.339 1.00 75.95 ? 73 VAL v CA 1 +ATOM 46975 C C . VAL HA 16 73 ? -7.962 62.344 -12.799 1.00 67.09 ? 73 VAL v C 1 +ATOM 46976 O O . VAL HA 16 73 ? -8.887 61.960 -12.072 1.00 74.20 ? 73 VAL v O 1 +ATOM 46977 C CB . VAL HA 16 73 ? -5.990 63.606 -11.816 1.00 81.08 ? 73 VAL v CB 1 +ATOM 46978 C CG1 . VAL HA 16 73 ? -7.019 64.238 -10.874 1.00 62.21 ? 73 VAL v CG1 1 +ATOM 46979 C CG2 . VAL HA 16 73 ? -4.629 63.431 -11.128 1.00 70.63 ? 73 VAL v CG2 1 +ATOM 46980 N N . ASP HA 16 74 ? -8.182 62.842 -14.018 1.00 69.90 ? 74 ASP v N 1 +ATOM 46981 C CA . ASP HA 16 74 ? -9.531 62.881 -14.574 1.00 72.00 ? 74 ASP v CA 1 +ATOM 46982 C C . ASP HA 16 74 ? -10.123 61.477 -14.712 1.00 84.36 ? 74 ASP v C 1 +ATOM 46983 O O . ASP HA 16 74 ? -11.303 61.263 -14.389 1.00 69.48 ? 74 ASP v O 1 +ATOM 46984 C CB . ASP HA 16 74 ? -9.514 63.591 -15.929 1.00 76.83 ? 74 ASP v CB 1 +ATOM 46985 C CG . ASP HA 16 74 ? -10.887 63.647 -16.567 1.00 80.23 ? 74 ASP v CG 1 +ATOM 46986 O OD1 . ASP HA 16 74 ? -11.707 64.492 -16.143 1.00 100.51 ? 74 ASP v OD1 1 +ATOM 46987 O OD2 . ASP HA 16 74 ? -11.157 62.831 -17.481 1.00 84.04 ? 74 ASP v OD2 1 +ATOM 46988 N N . TYR HA 16 75 ? -9.325 60.511 -15.208 1.00 67.30 ? 75 TYR v N 1 +ATOM 46989 C CA . TYR HA 16 75 ? -9.781 59.119 -15.258 1.00 68.16 ? 75 TYR v CA 1 +ATOM 46990 C C . TYR HA 16 75 ? -10.238 58.641 -13.885 1.00 62.48 ? 75 TYR v C 1 +ATOM 46991 O O . TYR HA 16 75 ? -11.328 58.070 -13.740 1.00 63.24 ? 75 TYR v O 1 +ATOM 46992 C CB . TYR HA 16 75 ? -8.683 58.190 -15.791 1.00 67.05 ? 75 TYR v CB 1 +ATOM 46993 C CG . TYR HA 16 75 ? -9.237 56.812 -16.134 1.00 71.52 ? 75 TYR v CG 1 +ATOM 46994 C CD1 . TYR HA 16 75 ? -9.369 55.822 -15.158 1.00 66.35 ? 75 TYR v CD1 1 +ATOM 46995 C CD2 . TYR HA 16 75 ? -9.662 56.516 -17.423 1.00 66.80 ? 75 TYR v CD2 1 +ATOM 46996 C CE1 . TYR HA 16 75 ? -9.896 54.590 -15.452 1.00 56.14 ? 75 TYR v CE1 1 +ATOM 46997 C CE2 . TYR HA 16 75 ? -10.190 55.273 -17.739 1.00 65.70 ? 75 TYR v CE2 1 +ATOM 46998 C CZ . TYR HA 16 75 ? -10.301 54.306 -16.748 1.00 70.91 ? 75 TYR v CZ 1 +ATOM 46999 O OH . TYR HA 16 75 ? -10.829 53.056 -17.050 1.00 63.54 ? 75 TYR v OH 1 +ATOM 47000 N N . MET HA 16 76 ? -9.418 58.881 -12.858 1.00 63.48 ? 76 MET v N 1 +ATOM 47001 C CA . MET HA 16 76 ? -9.801 58.506 -11.501 1.00 72.84 ? 76 MET v CA 1 +ATOM 47002 C C . MET HA 16 76 ? -11.028 59.265 -11.005 1.00 78.45 ? 76 MET v C 1 +ATOM 47003 O O . MET HA 16 76 ? -11.673 58.814 -10.051 1.00 70.88 ? 76 MET v O 1 +ATOM 47004 C CB . MET HA 16 76 ? -8.626 58.721 -10.547 1.00 71.25 ? 76 MET v CB 1 +ATOM 47005 C CG . MET HA 16 76 ? -7.728 57.505 -10.410 1.00 64.23 ? 76 MET v CG 1 +ATOM 47006 S SD . MET HA 16 76 ? -6.156 57.880 -9.633 1.00 71.19 ? 76 MET v SD 1 +ATOM 47007 C CE . MET HA 16 76 ? -5.082 58.174 -11.031 1.00 74.95 ? 76 MET v CE 1 +ATOM 47008 N N . LYS HA 16 77 ? -11.370 60.398 -11.624 1.00 70.23 ? 77 LYS v N 1 +ATOM 47009 C CA . LYS HA 16 77 ? -12.595 61.100 -11.258 1.00 75.07 ? 77 LYS v CA 1 +ATOM 47010 C C . LYS HA 16 77 ? -13.793 60.636 -12.074 1.00 73.46 ? 77 LYS v C 1 +ATOM 47011 O O . LYS HA 16 77 ? -14.885 60.452 -11.519 1.00 71.21 ? 77 LYS v O 1 +ATOM 47012 C CB . LYS HA 16 77 ? -12.420 62.616 -11.433 1.00 82.21 ? 77 LYS v CB 1 +ATOM 47013 C CG . LYS HA 16 77 ? -11.519 63.268 -10.392 1.00 83.44 ? 77 LYS v CG 1 +ATOM 47014 C CD . LYS HA 16 77 ? -11.154 64.668 -10.799 1.00 87.15 ? 77 LYS v CD 1 +ATOM 47015 C CE . LYS HA 16 77 ? -10.330 65.344 -9.714 1.00 90.23 ? 77 LYS v CE 1 +ATOM 47016 N NZ . LYS HA 16 77 ? -9.966 66.742 -10.087 1.00 93.30 ? 77 LYS v NZ 1 +ATOM 47017 N N . ASN HA 16 78 ? -13.604 60.454 -13.383 1.00 60.20 ? 78 ASN v N 1 +ATOM 47018 C CA . ASN HA 16 78 ? -14.694 60.147 -14.309 1.00 76.65 ? 78 ASN v CA 1 +ATOM 47019 C C . ASN HA 16 78 ? -14.202 59.177 -15.384 1.00 80.11 ? 78 ASN v C 1 +ATOM 47020 O O . ASN HA 16 78 ? -13.948 59.569 -16.532 1.00 75.96 ? 78 ASN v O 1 +ATOM 47021 C CB . ASN HA 16 78 ? -15.236 61.433 -14.938 1.00 70.09 ? 78 ASN v CB 1 +ATOM 47022 C CG . ASN HA 16 78 ? -16.473 61.193 -15.790 1.00 82.04 ? 78 ASN v CG 1 +ATOM 47023 O OD1 . ASN HA 16 78 ? -17.411 60.513 -15.363 1.00 81.22 ? 78 ASN v OD1 1 +ATOM 47024 N ND2 . ASN HA 16 78 ? -16.474 61.738 -17.003 1.00 76.76 ? 78 ASN v ND2 1 +ATOM 47025 N N . PRO HA 16 79 ? -14.083 57.889 -15.054 1.00 75.99 ? 79 PRO v N 1 +ATOM 47026 C CA . PRO HA 16 79 ? -13.486 56.934 -16.005 1.00 80.91 ? 79 PRO v CA 1 +ATOM 47027 C C . PRO HA 16 79 ? -14.365 56.692 -17.231 1.00 64.62 ? 79 PRO v C 1 +ATOM 47028 O O . PRO HA 16 79 ? -15.600 56.650 -17.153 1.00 63.05 ? 79 PRO v O 1 +ATOM 47029 C CB . PRO HA 16 79 ? -13.331 55.649 -15.169 1.00 65.94 ? 79 PRO v CB 1 +ATOM 47030 C CG . PRO HA 16 79 ? -14.440 55.736 -14.157 1.00 70.28 ? 79 PRO v CG 1 +ATOM 47031 C CD . PRO HA 16 79 ? -14.503 57.230 -13.807 1.00 71.95 ? 79 PRO v CD 1 +ATOM 47032 N N . THR HA 16 80 ? -13.696 56.494 -18.372 1.00 62.48 ? 80 THR v N 1 +ATOM 47033 C CA . THR HA 16 80 ? -14.337 56.227 -19.655 1.00 66.03 ? 80 THR v CA 1 +ATOM 47034 C C . THR HA 16 80 ? -13.757 54.961 -20.279 1.00 74.50 ? 80 THR v C 1 +ATOM 47035 O O . THR HA 16 80 ? -12.688 54.488 -19.887 1.00 64.74 ? 80 THR v O 1 +ATOM 47036 C CB . THR HA 16 80 ? -14.143 57.396 -20.647 1.00 71.01 ? 80 THR v CB 1 +ATOM 47037 O OG1 . THR HA 16 80 ? -12.739 57.598 -20.855 1.00 67.23 ? 80 THR v OG1 1 +ATOM 47038 C CG2 . THR HA 16 80 ? -14.765 58.704 -20.113 1.00 68.85 ? 80 THR v CG2 1 +ATOM 47039 N N . THR HA 16 81 ? -14.460 54.432 -21.284 1.00 60.04 ? 81 THR v N 1 +ATOM 47040 C CA . THR HA 16 81 ? -13.865 53.412 -22.142 1.00 68.75 ? 81 THR v CA 1 +ATOM 47041 C C . THR HA 16 81 ? -12.670 53.989 -22.909 1.00 62.42 ? 81 THR v C 1 +ATOM 47042 O O . THR HA 16 81 ? -12.418 55.194 -22.921 1.00 67.97 ? 81 THR v O 1 +ATOM 47043 C CB . THR HA 16 81 ? -14.893 52.842 -23.121 1.00 62.60 ? 81 THR v CB 1 +ATOM 47044 O OG1 . THR HA 16 81 ? -15.545 53.914 -23.810 1.00 67.59 ? 81 THR v OG1 1 +ATOM 47045 C CG2 . THR HA 16 81 ? -15.932 52.007 -22.396 1.00 61.53 ? 81 THR v CG2 1 +ATOM 47046 N N . TYR HA 16 82 ? -11.932 53.091 -23.563 1.00 69.54 ? 82 TYR v N 1 +ATOM 47047 C CA . TYR HA 16 82 ? -10.657 53.445 -24.176 1.00 60.74 ? 82 TYR v CA 1 +ATOM 47048 C C . TYR HA 16 82 ? -10.834 54.449 -25.315 1.00 78.55 ? 82 TYR v C 1 +ATOM 47049 O O . TYR HA 16 82 ? -9.906 55.212 -25.626 1.00 63.54 ? 82 TYR v O 1 +ATOM 47050 C CB . TYR HA 16 82 ? -9.981 52.166 -24.677 1.00 59.19 ? 82 TYR v CB 1 +ATOM 47051 C CG . TYR HA 16 82 ? -8.520 52.294 -25.039 1.00 53.69 ? 82 TYR v CG 1 +ATOM 47052 C CD1 . TYR HA 16 82 ? -7.561 52.574 -24.072 1.00 58.46 ? 82 TYR v CD1 1 +ATOM 47053 C CD2 . TYR HA 16 82 ? -8.095 52.101 -26.336 1.00 53.33 ? 82 TYR v CD2 1 +ATOM 47054 C CE1 . TYR HA 16 82 ? -6.216 52.679 -24.410 1.00 57.05 ? 82 TYR v CE1 1 +ATOM 47055 C CE2 . TYR HA 16 82 ? -6.763 52.200 -26.679 1.00 57.18 ? 82 TYR v CE2 1 +ATOM 47056 C CZ . TYR HA 16 82 ? -5.831 52.491 -25.723 1.00 56.82 ? 82 TYR v CZ 1 +ATOM 47057 O OH . TYR HA 16 82 ? -4.506 52.581 -26.097 1.00 68.04 ? 82 TYR v OH 1 +ATOM 47058 N N . ASP HA 16 83 ? -11.999 54.447 -25.959 1.00 59.60 ? 83 ASP v N 1 +ATOM 47059 C CA . ASP HA 16 83 ? -12.290 55.370 -27.045 1.00 75.65 ? 83 ASP v CA 1 +ATOM 47060 C C . ASP HA 16 83 ? -12.955 56.656 -26.550 1.00 74.90 ? 83 ASP v C 1 +ATOM 47061 O O . ASP HA 16 83 ? -13.315 57.498 -27.367 1.00 77.72 ? 83 ASP v O 1 +ATOM 47062 C CB . ASP HA 16 83 ? -13.163 54.679 -28.109 1.00 56.97 ? 83 ASP v CB 1 +ATOM 47063 C CG . ASP HA 16 83 ? -14.414 54.025 -27.516 1.00 69.74 ? 83 ASP v CG 1 +ATOM 47064 O OD1 . ASP HA 16 83 ? -14.721 54.283 -26.325 1.00 64.73 ? 83 ASP v OD1 1 +ATOM 47065 O OD2 . ASP HA 16 83 ? -15.089 53.246 -28.234 1.00 64.49 ? 83 ASP v OD2 1 +ATOM 47066 N N . GLY HA 16 84 ? -13.098 56.829 -25.236 1.00 67.35 ? 84 GLY v N 1 +ATOM 47067 C CA . GLY HA 16 84 ? -13.825 57.945 -24.667 1.00 59.77 ? 84 GLY v CA 1 +ATOM 47068 C C . GLY HA 16 84 ? -15.326 57.869 -24.824 1.00 63.35 ? 84 GLY v C 1 +ATOM 47069 O O . GLY HA 16 84 ? -16.030 58.751 -24.334 1.00 68.68 ? 84 GLY v O 1 +ATOM 47070 N N . GLU HA 16 85 ? -15.843 56.837 -25.477 1.00 69.32 ? 85 GLU v N 1 +ATOM 47071 C CA . GLU HA 16 85 ? -17.237 56.862 -25.903 1.00 77.32 ? 85 GLU v CA 1 +ATOM 47072 C C . GLU HA 16 85 ? -18.208 56.703 -24.739 1.00 75.79 ? 85 GLU v C 1 +ATOM 47073 O O . GLU HA 16 85 ? -19.360 57.139 -24.837 1.00 74.43 ? 85 GLU v O 1 +ATOM 47074 C CB . GLU HA 16 85 ? -17.474 55.768 -26.950 1.00 69.89 ? 85 GLU v CB 1 +ATOM 47075 C CG . GLU HA 16 85 ? -18.360 56.175 -28.125 1.00 97.48 ? 85 GLU v CG 1 +ATOM 47076 C CD . GLU HA 16 85 ? -17.682 57.147 -29.066 1.00 87.06 ? 85 GLU v CD 1 +ATOM 47077 O OE1 . GLU HA 16 85 ? -17.218 58.212 -28.607 1.00 103.52 ? 85 GLU v OE1 1 +ATOM 47078 O OE2 . GLU HA 16 85 ? -17.603 56.843 -30.275 1.00 106.65 ? 85 GLU v OE2 1 +ATOM 47079 N N . GLN HA 16 86 ? -17.789 56.068 -23.645 1.00 74.58 ? 86 GLN v N 1 +ATOM 47080 C CA . GLN HA 16 86 ? -18.735 55.690 -22.604 1.00 73.63 ? 86 GLN v CA 1 +ATOM 47081 C C . GLN HA 16 86 ? -18.131 55.907 -21.226 1.00 75.57 ? 86 GLN v C 1 +ATOM 47082 O O . GLN HA 16 86 ? -16.929 55.715 -21.026 1.00 73.01 ? 86 GLN v O 1 +ATOM 47083 C CB . GLN HA 16 86 ? -19.165 54.232 -22.772 1.00 83.13 ? 86 GLN v CB 1 +ATOM 47084 C CG . GLN HA 16 86 ? -20.384 53.849 -21.968 1.00 97.23 ? 86 GLN v CG 1 +ATOM 47085 C CD . GLN HA 16 86 ? -20.703 52.374 -22.093 1.00 123.84 ? 86 GLN v CD 1 +ATOM 47086 O OE1 . GLN HA 16 86 ? -21.167 51.745 -21.140 1.00 161.90 ? 86 GLN v OE1 1 +ATOM 47087 N NE2 . GLN HA 16 86 ? -20.447 51.808 -23.270 1.00 96.08 ? 86 GLN v NE2 1 +ATOM 47088 N N . GLU HA 16 87 ? -18.970 56.334 -20.284 1.00 71.82 ? 87 GLU v N 1 +ATOM 47089 C CA . GLU HA 16 87 ? -18.560 56.527 -18.901 1.00 80.24 ? 87 GLU v CA 1 +ATOM 47090 C C . GLU HA 16 87 ? -18.874 55.269 -18.110 1.00 69.80 ? 87 GLU v C 1 +ATOM 47091 O O . GLU HA 16 87 ? -19.960 54.701 -18.242 1.00 71.41 ? 87 GLU v O 1 +ATOM 47092 C CB . GLU HA 16 87 ? -19.263 57.746 -18.292 1.00 78.95 ? 87 GLU v CB 1 +ATOM 47093 C CG . GLU HA 16 87 ? -18.563 59.074 -18.647 1.00 85.72 ? 87 GLU v CG 1 +ATOM 47094 C CD . GLU HA 16 87 ? -19.416 60.329 -18.422 1.00 84.95 ? 87 GLU v CD 1 +ATOM 47095 O OE1 . GLU HA 16 87 ? -20.602 60.218 -18.041 1.00 84.77 ? 87 GLU v OE1 1 +ATOM 47096 O OE2 . GLU HA 16 87 ? -18.886 61.438 -18.647 1.00 83.61 ? 87 GLU v OE2 1 +ATOM 47097 N N . ILE HA 16 88 ? -17.914 54.833 -17.290 1.00 63.41 ? 88 ILE v N 1 +ATOM 47098 C CA . ILE HA 16 88 ? -17.980 53.508 -16.679 1.00 67.00 ? 88 ILE v CA 1 +ATOM 47099 C C . ILE HA 16 88 ? -17.821 53.559 -15.162 1.00 68.75 ? 88 ILE v C 1 +ATOM 47100 O O . ILE HA 16 88 ? -17.407 52.574 -14.549 1.00 63.85 ? 88 ILE v O 1 +ATOM 47101 C CB . ILE HA 16 88 ? -16.909 52.582 -17.292 1.00 63.72 ? 88 ILE v CB 1 +ATOM 47102 C CG1 . ILE HA 16 88 ? -15.502 53.160 -17.046 1.00 64.94 ? 88 ILE v CG1 1 +ATOM 47103 C CG2 . ILE HA 16 88 ? -17.188 52.342 -18.773 1.00 59.65 ? 88 ILE v CG2 1 +ATOM 47104 C CD1 . ILE HA 16 88 ? -14.362 52.349 -17.655 1.00 63.73 ? 88 ILE v CD1 1 +ATOM 47105 N N . ALA HA 16 89 ? -18.152 54.692 -14.545 1.00 62.76 ? 89 ALA v N 1 +ATOM 47106 C CA . ALA HA 16 89 ? -17.971 54.821 -13.103 1.00 69.29 ? 89 ALA v CA 1 +ATOM 47107 C C . ALA HA 16 89 ? -18.784 53.782 -12.335 1.00 60.44 ? 89 ALA v C 1 +ATOM 47108 O O . ALA HA 16 89 ? -18.369 53.341 -11.260 1.00 69.98 ? 89 ALA v O 1 +ATOM 47109 C CB . ALA HA 16 89 ? -18.334 56.243 -12.651 1.00 64.06 ? 89 ALA v CB 1 +ATOM 47110 N N . GLU HA 16 90 ? -19.912 53.344 -12.892 1.00 69.76 ? 90 GLU v N 1 +ATOM 47111 C CA . GLU HA 16 90 ? -20.722 52.306 -12.267 1.00 70.48 ? 90 GLU v CA 1 +ATOM 47112 C C . GLU HA 16 90 ? -19.997 50.966 -12.106 1.00 76.41 ? 90 GLU v C 1 +ATOM 47113 O O . GLU HA 16 90 ? -20.433 50.146 -11.287 1.00 69.81 ? 90 GLU v O 1 +ATOM 47114 C CB . GLU HA 16 90 ? -21.998 52.093 -13.079 1.00 61.51 ? 90 GLU v CB 1 +ATOM 47115 C CG . GLU HA 16 90 ? -23.260 52.357 -12.297 1.00 86.92 ? 90 GLU v CG 1 +ATOM 47116 C CD . GLU HA 16 90 ? -24.512 52.195 -13.137 1.00 113.87 ? 90 GLU v CD 1 +ATOM 47117 O OE1 . GLU HA 16 90 ? -24.444 52.431 -14.372 1.00 101.12 ? 90 GLU v OE1 1 +ATOM 47118 O OE2 . GLU HA 16 90 ? -25.562 51.818 -12.560 1.00 110.56 ? 90 GLU v OE2 1 +ATOM 47119 N N . VAL HA 16 91 ? -18.927 50.701 -12.863 1.00 60.43 ? 91 VAL v N 1 +ATOM 47120 C CA . VAL HA 16 91 ? -18.211 49.432 -12.713 1.00 63.34 ? 91 VAL v CA 1 +ATOM 47121 C C . VAL HA 16 91 ? -16.714 49.653 -12.543 1.00 70.47 ? 91 VAL v C 1 +ATOM 47122 O O . VAL HA 16 91 ? -15.941 48.690 -12.530 1.00 67.24 ? 91 VAL v O 1 +ATOM 47123 C CB . VAL HA 16 91 ? -18.456 48.466 -13.898 1.00 63.14 ? 91 VAL v CB 1 +ATOM 47124 C CG1 . VAL HA 16 91 ? -19.919 48.034 -13.971 1.00 66.41 ? 91 VAL v CG1 1 +ATOM 47125 C CG2 . VAL HA 16 91 ? -17.953 49.060 -15.212 1.00 56.09 ? 91 VAL v CG2 1 +ATOM 47126 N N . HIS HA 16 92 ? -16.278 50.903 -12.411 1.00 62.70 ? 92 HIS v N 1 +ATOM 47127 C CA . HIS HA 16 92 ? -14.868 51.144 -12.158 1.00 66.01 ? 92 HIS v CA 1 +ATOM 47128 C C . HIS HA 16 92 ? -14.708 52.176 -11.051 1.00 73.87 ? 92 HIS v C 1 +ATOM 47129 O O . HIS HA 16 92 ? -15.336 53.247 -11.111 1.00 70.33 ? 92 HIS v O 1 +ATOM 47130 C CB . HIS HA 16 92 ? -14.139 51.614 -13.410 1.00 53.58 ? 92 HIS v CB 1 +ATOM 47131 C CG . HIS HA 16 92 ? -12.653 51.641 -13.265 1.00 60.40 ? 92 HIS v CG 1 +ATOM 47132 N ND1 . HIS HA 16 92 ? -11.992 52.620 -12.559 1.00 63.06 ? 92 HIS v ND1 1 +ATOM 47133 C CD2 . HIS HA 16 92 ? -11.697 50.807 -13.738 1.00 57.65 ? 92 HIS v CD2 1 +ATOM 47134 C CE1 . HIS HA 16 92 ? -10.691 52.393 -12.610 1.00 55.41 ? 92 HIS v CE1 1 +ATOM 47135 N NE2 . HIS HA 16 92 ? -10.488 51.300 -13.321 1.00 63.61 ? 92 HIS v NE2 1 +ATOM 47136 N N . PRO HA 16 93 ? -13.854 51.912 -10.062 1.00 76.86 ? 93 PRO v N 1 +ATOM 47137 C CA . PRO HA 16 93 ? -13.683 52.846 -8.938 1.00 67.30 ? 93 PRO v CA 1 +ATOM 47138 C C . PRO HA 16 93 ? -13.374 54.259 -9.416 1.00 74.42 ? 93 PRO v C 1 +ATOM 47139 O O . PRO HA 16 93 ? -12.524 54.471 -10.288 1.00 67.27 ? 93 PRO v O 1 +ATOM 47140 C CB . PRO HA 16 93 ? -12.500 52.256 -8.157 1.00 61.70 ? 93 PRO v CB 1 +ATOM 47141 C CG . PRO HA 16 93 ? -12.326 50.836 -8.673 1.00 62.69 ? 93 PRO v CG 1 +ATOM 47142 C CD . PRO HA 16 93 ? -12.881 50.798 -10.050 1.00 70.35 ? 93 PRO v CD 1 +ATOM 47143 N N . SER HA 16 94 ? -14.082 55.231 -8.841 1.00 67.18 ? 94 SER v N 1 +ATOM 47144 C CA . SER HA 16 94 ? -13.846 56.643 -9.129 1.00 77.00 ? 94 SER v CA 1 +ATOM 47145 C C . SER HA 16 94 ? -14.425 57.472 -7.997 1.00 74.25 ? 94 SER v C 1 +ATOM 47146 O O . SER HA 16 94 ? -15.302 57.014 -7.254 1.00 72.51 ? 94 SER v O 1 +ATOM 47147 C CB . SER HA 16 94 ? -14.488 57.085 -10.444 1.00 56.22 ? 94 SER v CB 1 +ATOM 47148 O OG . SER HA 16 94 ? -15.900 56.930 -10.378 1.00 68.85 ? 94 SER v OG 1 +ATOM 47149 N N . LEU HA 16 95 ? -13.941 58.712 -7.888 1.00 75.96 ? 95 LEU v N 1 +ATOM 47150 C CA . LEU HA 16 95 ? -14.569 59.638 -6.952 1.00 70.85 ? 95 LEU v CA 1 +ATOM 47151 C C . LEU HA 16 95 ? -16.054 59.773 -7.256 1.00 68.48 ? 95 LEU v C 1 +ATOM 47152 O O . LEU HA 16 95 ? -16.882 59.823 -6.341 1.00 76.06 ? 95 LEU v O 1 +ATOM 47153 C CB . LEU HA 16 95 ? -13.863 60.991 -7.002 1.00 65.49 ? 95 LEU v CB 1 +ATOM 47154 C CG . LEU HA 16 95 ? -12.413 60.929 -6.518 1.00 79.88 ? 95 LEU v CG 1 +ATOM 47155 C CD1 . LEU HA 16 95 ? -11.878 62.303 -6.186 1.00 76.99 ? 95 LEU v CD1 1 +ATOM 47156 C CD2 . LEU HA 16 95 ? -12.295 60.034 -5.307 1.00 84.90 ? 95 LEU v CD2 1 +ATOM 47157 N N . ARG HA 16 96 ? -16.410 59.765 -8.540 1.00 65.89 ? 96 ARG v N 1 +ATOM 47158 C CA . ARG HA 16 96 ? -17.805 59.879 -8.940 1.00 69.64 ? 96 ARG v CA 1 +ATOM 47159 C C . ARG HA 16 96 ? -18.628 58.687 -8.479 1.00 76.69 ? 96 ARG v C 1 +ATOM 47160 O O . ARG HA 16 96 ? -19.842 58.814 -8.291 1.00 81.29 ? 96 ARG v O 1 +ATOM 47161 C CB . ARG HA 16 96 ? -17.884 60.033 -10.459 1.00 65.83 ? 96 ARG v CB 1 +ATOM 47162 C CG . ARG HA 16 96 ? -19.279 60.038 -11.032 1.00 79.31 ? 96 ARG v CG 1 +ATOM 47163 C CD . ARG HA 16 96 ? -19.246 60.514 -12.482 1.00 86.37 ? 96 ARG v CD 1 +ATOM 47164 N NE . ARG HA 16 96 ? -20.536 60.365 -13.148 1.00 106.97 ? 96 ARG v NE 1 +ATOM 47165 C CZ . ARG HA 16 96 ? -20.711 60.429 -14.464 1.00 121.02 ? 96 ARG v CZ 1 +ATOM 47166 N NH1 . ARG HA 16 96 ? -19.700 60.671 -15.286 1.00 98.28 ? 96 ARG v NH1 1 +ATOM 47167 N NH2 . ARG HA 16 96 ? -21.927 60.232 -14.970 1.00 123.51 ? 96 ARG v NH2 1 +ATOM 47168 N N . SER HA 16 97 ? -18.002 57.524 -8.301 1.00 74.47 ? 97 SER v N 1 +ATOM 47169 C CA . SER HA 16 97 ? -18.697 56.347 -7.800 1.00 68.00 ? 97 SER v CA 1 +ATOM 47170 C C . SER HA 16 97 ? -18.123 55.883 -6.462 1.00 65.77 ? 97 SER v C 1 +ATOM 47171 O O . SER HA 16 97 ? -18.104 54.684 -6.173 1.00 74.06 ? 97 SER v O 1 +ATOM 47172 C CB . SER HA 16 97 ? -18.663 55.214 -8.838 1.00 83.37 ? 97 SER v CB 1 +ATOM 47173 O OG . SER HA 16 97 ? -17.339 54.877 -9.232 1.00 64.81 ? 97 SER v OG 1 +ATOM 47174 N N . ALA HA 16 98 ? -17.660 56.823 -5.626 1.00 70.75 ? 98 ALA v N 1 +ATOM 47175 C CA . ALA HA 16 98 ? -17.180 56.483 -4.288 1.00 70.61 ? 98 ALA v CA 1 +ATOM 47176 C C . ALA HA 16 98 ? -18.287 55.986 -3.361 1.00 78.92 ? 98 ALA v C 1 +ATOM 47177 O O . ALA HA 16 98 ? -17.980 55.386 -2.326 1.00 68.35 ? 98 ALA v O 1 +ATOM 47178 C CB . ALA HA 16 98 ? -16.479 57.677 -3.647 1.00 67.99 ? 98 ALA v CB 1 +ATOM 47179 N N . ASP HA 16 99 ? -19.560 56.199 -3.703 1.00 69.29 ? 99 ASP v N 1 +ATOM 47180 C CA . ASP HA 16 99 ? -20.621 55.613 -2.895 1.00 64.57 ? 99 ASP v CA 1 +ATOM 47181 C C . ASP HA 16 99 ? -20.633 54.096 -3.018 1.00 72.29 ? 99 ASP v C 1 +ATOM 47182 O O . ASP HA 16 99 ? -20.852 53.397 -2.027 1.00 91.99 ? 99 ASP v O 1 +ATOM 47183 C CB . ASP HA 16 99 ? -21.981 56.211 -3.274 1.00 62.16 ? 99 ASP v CB 1 +ATOM 47184 C CG . ASP HA 16 99 ? -22.352 55.991 -4.734 1.00 89.82 ? 99 ASP v CG 1 +ATOM 47185 O OD1 . ASP HA 16 99 ? -21.471 56.075 -5.633 1.00 95.15 ? 99 ASP v OD1 1 +ATOM 47186 O OD2 . ASP HA 16 99 ? -23.550 55.742 -4.984 1.00 95.47 ? 99 ASP v OD2 1 +ATOM 47187 N N . ILE HA 16 100 ? -20.386 53.560 -4.215 1.00 76.40 ? 100 ILE v N 1 +ATOM 47188 C CA . ILE HA 16 100 ? -20.393 52.113 -4.403 1.00 64.40 ? 100 ILE v CA 1 +ATOM 47189 C C . ILE HA 16 100 ? -18.999 51.497 -4.347 1.00 60.87 ? 100 ILE v C 1 +ATOM 47190 O O . ILE HA 16 100 ? -18.888 50.268 -4.230 1.00 72.82 ? 100 ILE v O 1 +ATOM 47191 C CB . ILE HA 16 100 ? -21.077 51.725 -5.729 1.00 76.18 ? 100 ILE v CB 1 +ATOM 47192 C CG1 . ILE HA 16 100 ? -20.465 52.521 -6.883 1.00 72.15 ? 100 ILE v CG1 1 +ATOM 47193 C CG2 . ILE HA 16 100 ? -22.582 51.904 -5.631 1.00 70.77 ? 100 ILE v CG2 1 +ATOM 47194 C CD1 . ILE HA 16 100 ? -21.031 52.169 -8.234 1.00 69.67 ? 100 ILE v CD1 1 +ATOM 47195 N N . PHE HA 16 101 ? -17.942 52.299 -4.446 1.00 64.28 ? 101 PHE v N 1 +ATOM 47196 C CA . PHE HA 16 101 ? -16.563 51.859 -4.245 1.00 64.54 ? 101 PHE v CA 1 +ATOM 47197 C C . PHE HA 16 101 ? -16.028 52.614 -3.033 1.00 70.21 ? 101 PHE v C 1 +ATOM 47198 O O . PHE HA 16 101 ? -15.312 53.620 -3.176 1.00 67.87 ? 101 PHE v O 1 +ATOM 47199 C CB . PHE HA 16 101 ? -15.701 52.099 -5.483 1.00 62.46 ? 101 PHE v CB 1 +ATOM 47200 C CG . PHE HA 16 101 ? -16.122 51.288 -6.689 1.00 77.25 ? 101 PHE v CG 1 +ATOM 47201 C CD1 . PHE HA 16 101 ? -15.714 49.958 -6.830 1.00 72.75 ? 101 PHE v CD1 1 +ATOM 47202 C CD2 . PHE HA 16 101 ? -16.912 51.854 -7.686 1.00 66.79 ? 101 PHE v CD2 1 +ATOM 47203 C CE1 . PHE HA 16 101 ? -16.097 49.212 -7.940 1.00 61.86 ? 101 PHE v CE1 1 +ATOM 47204 C CE2 . PHE HA 16 101 ? -17.295 51.112 -8.803 1.00 75.04 ? 101 PHE v CE2 1 +ATOM 47205 C CZ . PHE HA 16 101 ? -16.887 49.792 -8.927 1.00 74.19 ? 101 PHE v CZ 1 +ATOM 47206 N N . PRO HA 16 102 ? -16.358 52.160 -1.819 1.00 81.14 ? 102 PRO v N 1 +ATOM 47207 C CA . PRO HA 16 102 ? -16.064 52.975 -0.629 1.00 67.35 ? 102 PRO v CA 1 +ATOM 47208 C C . PRO HA 16 102 ? -14.592 53.273 -0.421 1.00 72.68 ? 102 PRO v C 1 +ATOM 47209 O O . PRO HA 16 102 ? -14.276 54.227 0.293 1.00 72.82 ? 102 PRO v O 1 +ATOM 47210 C CB . PRO HA 16 102 ? -16.641 52.140 0.517 1.00 66.63 ? 102 PRO v CB 1 +ATOM 47211 C CG . PRO HA 16 102 ? -17.715 51.291 -0.148 1.00 78.13 ? 102 PRO v CG 1 +ATOM 47212 C CD . PRO HA 16 102 ? -17.155 50.962 -1.493 1.00 73.28 ? 102 PRO v CD 1 +ATOM 47213 N N . LYS HA 16 103 ? -13.674 52.531 -1.035 1.00 64.31 ? 103 LYS v N 1 +ATOM 47214 C CA . LYS HA 16 103 ? -12.268 52.824 -0.787 1.00 63.35 ? 103 LYS v CA 1 +ATOM 47215 C C . LYS HA 16 103 ? -11.834 54.143 -1.400 1.00 71.19 ? 103 LYS v C 1 +ATOM 47216 O O . LYS HA 16 103 ? -10.778 54.663 -1.028 1.00 79.88 ? 103 LYS v O 1 +ATOM 47217 C CB . LYS HA 16 103 ? -11.379 51.691 -1.308 1.00 67.01 ? 103 LYS v CB 1 +ATOM 47218 C CG . LYS HA 16 103 ? -11.617 50.358 -0.589 1.00 85.34 ? 103 LYS v CG 1 +ATOM 47219 C CD . LYS HA 16 103 ? -10.364 49.494 -0.550 1.00 78.50 ? 103 LYS v CD 1 +ATOM 47220 C CE . LYS HA 16 103 ? -10.158 48.731 -1.837 1.00 68.78 ? 103 LYS v CE 1 +ATOM 47221 N NZ . LYS HA 16 103 ? -8.839 48.036 -1.831 1.00 64.36 ? 103 LYS v NZ 1 +ATOM 47222 N N . MET HA 16 104 ? -12.611 54.692 -2.336 1.00 70.53 ? 104 MET v N 1 +ATOM 47223 C CA . MET HA 16 104 ? -12.263 55.966 -2.956 1.00 77.44 ? 104 MET v CA 1 +ATOM 47224 C C . MET HA 16 104 ? -12.667 57.164 -2.106 1.00 75.29 ? 104 MET v C 1 +ATOM 47225 O O . MET HA 16 104 ? -12.194 58.275 -2.373 1.00 78.18 ? 104 MET v O 1 +ATOM 47226 C CB . MET HA 16 104 ? -12.915 56.070 -4.345 1.00 67.39 ? 104 MET v CB 1 +ATOM 47227 C CG . MET HA 16 104 ? -12.551 54.906 -5.287 1.00 64.29 ? 104 MET v CG 1 +ATOM 47228 S SD . MET HA 16 104 ? -10.794 54.905 -5.695 1.00 72.81 ? 104 MET v SD 1 +ATOM 47229 C CE . MET HA 16 104 ? -10.638 56.356 -6.738 1.00 65.00 ? 104 MET v CE 1 +ATOM 47230 N N . ARG HA 16 105 ? -13.506 56.950 -1.087 1.00 76.63 ? 105 ARG v N 1 +ATOM 47231 C CA . ARG HA 16 105 ? -14.058 58.048 -0.295 1.00 84.25 ? 105 ARG v CA 1 +ATOM 47232 C C . ARG HA 16 105 ? -12.965 58.892 0.339 1.00 82.78 ? 105 ARG v C 1 +ATOM 47233 O O . ARG HA 16 105 ? -12.943 60.118 0.188 1.00 98.57 ? 105 ARG v O 1 +ATOM 47234 C CB . ARG HA 16 105 ? -14.991 57.492 0.777 1.00 63.89 ? 105 ARG v CB 1 +ATOM 47235 C CG . ARG HA 16 105 ? -16.199 56.815 0.189 1.00 66.47 ? 105 ARG v CG 1 +ATOM 47236 C CD . ARG HA 16 105 ? -17.125 56.307 1.235 1.00 71.77 ? 105 ARG v CD 1 +ATOM 47237 N NE . ARG HA 16 105 ? -18.233 55.580 0.635 1.00 78.71 ? 105 ARG v NE 1 +ATOM 47238 C CZ . ARG HA 16 105 ? -19.036 54.770 1.313 1.00 96.02 ? 105 ARG v CZ 1 +ATOM 47239 N NH1 . ARG HA 16 105 ? -18.898 54.594 2.619 1.00 100.64 ? 105 ARG v NH1 1 +ATOM 47240 N NH2 . ARG HA 16 105 ? -19.994 54.112 0.665 1.00 87.33 ? 105 ARG v NH2 1 +ATOM 47241 N N . ASN HA 16 106 ? -12.047 58.258 1.047 1.00 92.38 ? 106 ASN v N 1 +ATOM 47242 C CA . ASN HA 16 106 ? -11.054 58.998 1.813 1.00 122.66 ? 106 ASN v CA 1 +ATOM 47243 C C . ASN HA 16 106 ? -9.928 59.535 0.946 1.00 105.91 ? 106 ASN v C 1 +ATOM 47244 O O . ASN HA 16 106 ? -8.915 59.997 1.482 1.00 122.00 ? 106 ASN v O 1 +ATOM 47245 C CB . ASN HA 16 106 ? -10.495 58.105 2.926 1.00 131.67 ? 106 ASN v CB 1 +ATOM 47246 C CG . ASN HA 16 106 ? -10.381 56.663 2.490 1.00 125.19 ? 106 ASN v CG 1 +ATOM 47247 O OD1 . ASN HA 16 106 ? -10.405 56.372 1.289 1.00 124.58 ? 106 ASN v OD1 1 +ATOM 47248 N ND2 . ASN HA 16 106 ? -10.273 55.750 3.450 1.00 121.27 ? 106 ASN v ND2 1 +ATOM 47249 N N . LEU HA 16 107 ? -10.089 59.499 -0.374 1.00 99.25 ? 107 LEU v N 1 +ATOM 47250 C CA . LEU HA 16 107 ? -9.053 59.939 -1.295 1.00 88.36 ? 107 LEU v CA 1 +ATOM 47251 C C . LEU HA 16 107 ? -9.294 61.384 -1.707 1.00 93.38 ? 107 LEU v C 1 +ATOM 47252 O O . LEU HA 16 107 ? -10.405 61.749 -2.107 1.00 83.67 ? 107 LEU v O 1 +ATOM 47253 C CB . LEU HA 16 107 ? -9.009 59.039 -2.531 1.00 84.10 ? 107 LEU v CB 1 +ATOM 47254 C CG . LEU HA 16 107 ? -8.525 57.607 -2.324 1.00 87.10 ? 107 LEU v CG 1 +ATOM 47255 C CD1 . LEU HA 16 107 ? -8.323 56.938 -3.676 1.00 87.28 ? 107 LEU v CD1 1 +ATOM 47256 C CD2 . LEU HA 16 107 ? -7.236 57.585 -1.517 1.00 88.80 ? 107 LEU v CD2 1 +ATOM 47257 N N . THR HA 16 108 ? -8.245 62.192 -1.620 1.00 77.57 ? 108 THR v N 1 +ATOM 47258 C CA . THR HA 16 108 ? -8.284 63.588 -2.019 1.00 79.67 ? 108 THR v CA 1 +ATOM 47259 C C . THR HA 16 108 ? -7.571 63.765 -3.351 1.00 91.71 ? 108 THR v C 1 +ATOM 47260 O O . THR HA 16 108 ? -6.916 62.854 -3.864 1.00 79.87 ? 108 THR v O 1 +ATOM 47261 C CB . THR HA 16 108 ? -7.626 64.478 -0.959 1.00 96.66 ? 108 THR v CB 1 +ATOM 47262 O OG1 . THR HA 16 108 ? -6.204 64.427 -1.117 1.00 96.68 ? 108 THR v OG1 1 +ATOM 47263 C CG2 . THR HA 16 108 ? -7.975 63.997 0.446 1.00 98.10 ? 108 THR v CG2 1 +ATOM 47264 N N . GLU HA 16 109 ? -7.695 64.976 -3.900 1.00 101.84 ? 109 GLU v N 1 +ATOM 47265 C CA . GLU HA 16 109 ? -7.049 65.287 -5.169 1.00 84.34 ? 109 GLU v CA 1 +ATOM 47266 C C . GLU HA 16 109 ? -5.547 65.046 -5.098 1.00 79.83 ? 109 GLU v C 1 +ATOM 47267 O O . GLU HA 16 109 ? -4.944 64.540 -6.051 1.00 86.95 ? 109 GLU v O 1 +ATOM 47268 C CB . GLU HA 16 109 ? -7.349 66.733 -5.562 1.00 96.02 ? 109 GLU v CB 1 +ATOM 47269 C CG . GLU HA 16 109 ? -6.571 67.238 -6.762 1.00 97.51 ? 109 GLU v CG 1 +ATOM 47270 C CD . GLU HA 16 109 ? -7.472 67.545 -7.940 1.00 120.12 ? 109 GLU v CD 1 +ATOM 47271 O OE1 . GLU HA 16 109 ? -8.707 67.394 -7.779 1.00 109.48 ? 109 GLU v OE1 1 +ATOM 47272 O OE2 . GLU HA 16 109 ? -6.952 67.931 -9.017 1.00 97.00 ? 109 GLU v OE2 1 +ATOM 47273 N N . LYS HA 16 110 ? -4.926 65.386 -3.973 1.00 73.85 ? 110 LYS v N 1 +ATOM 47274 C CA . LYS HA 16 110 ? -3.489 65.178 -3.866 1.00 83.00 ? 110 LYS v CA 1 +ATOM 47275 C C . LYS HA 16 110 ? -3.147 63.697 -3.840 1.00 91.84 ? 110 LYS v C 1 +ATOM 47276 O O . LYS HA 16 110 ? -2.052 63.310 -4.271 1.00 74.13 ? 110 LYS v O 1 +ATOM 47277 C CB . LYS HA 16 110 ? -2.938 65.877 -2.620 1.00 99.07 ? 110 LYS v CB 1 +ATOM 47278 C CG . LYS HA 16 110 ? -3.067 65.079 -1.338 1.00 118.27 ? 110 LYS v CG 1 +ATOM 47279 C CD . LYS HA 16 110 ? -2.249 65.694 -0.203 1.00 129.53 ? 110 LYS v CD 1 +ATOM 47280 C CE . LYS HA 16 110 ? -2.104 64.721 0.959 1.00 103.66 ? 110 LYS v CE 1 +ATOM 47281 N NZ . LYS HA 16 110 ? -1.060 65.185 1.918 1.00 148.28 ? 110 LYS v NZ 1 +ATOM 47282 N N . ASP HA 16 111 ? -4.065 62.862 -3.332 1.00 78.62 ? 111 ASP v N 1 +ATOM 47283 C CA . ASP HA 16 111 ? -3.868 61.419 -3.370 1.00 82.33 ? 111 ASP v CA 1 +ATOM 47284 C C . ASP HA 16 111 ? -3.907 60.905 -4.801 1.00 83.88 ? 111 ASP v C 1 +ATOM 47285 O O . ASP HA 16 111 ? -3.063 60.093 -5.193 1.00 73.72 ? 111 ASP v O 1 +ATOM 47286 C CB . ASP HA 16 111 ? -4.932 60.710 -2.536 1.00 71.26 ? 111 ASP v CB 1 +ATOM 47287 C CG . ASP HA 16 111 ? -4.855 61.067 -1.073 1.00 90.04 ? 111 ASP v CG 1 +ATOM 47288 O OD1 . ASP HA 16 111 ? -3.730 61.234 -0.545 1.00 78.95 ? 111 ASP v OD1 1 +ATOM 47289 O OD2 . ASP HA 16 111 ? -5.930 61.170 -0.453 1.00 81.78 ? 111 ASP v OD2 1 +ATOM 47290 N N . LEU HA 16 112 ? -4.883 61.370 -5.588 1.00 71.64 ? 112 LEU v N 1 +ATOM 47291 C CA . LEU HA 16 112 ? -4.970 60.969 -6.986 1.00 75.25 ? 112 LEU v CA 1 +ATOM 47292 C C . LEU HA 16 112 ? -3.720 61.374 -7.751 1.00 69.06 ? 112 LEU v C 1 +ATOM 47293 O O . LEU HA 16 112 ? -3.236 60.621 -8.602 1.00 86.90 ? 112 LEU v O 1 +ATOM 47294 C CB . LEU HA 16 112 ? -6.213 61.571 -7.638 1.00 66.10 ? 112 LEU v CB 1 +ATOM 47295 C CG . LEU HA 16 112 ? -7.573 61.376 -6.966 1.00 79.23 ? 112 LEU v CG 1 +ATOM 47296 C CD1 . LEU HA 16 112 ? -8.678 61.886 -7.888 1.00 87.41 ? 112 LEU v CD1 1 +ATOM 47297 C CD2 . LEU HA 16 112 ? -7.813 59.936 -6.600 1.00 79.34 ? 112 LEU v CD2 1 +ATOM 47298 N N . VAL HA 16 113 ? -3.186 62.559 -7.474 1.00 73.61 ? 113 VAL v N 1 +ATOM 47299 C CA . VAL HA 16 113 ? -1.937 62.962 -8.116 1.00 73.13 ? 113 VAL v CA 1 +ATOM 47300 C C . VAL HA 16 113 ? -0.828 61.977 -7.756 1.00 78.63 ? 113 VAL v C 1 +ATOM 47301 O O . VAL HA 16 113 ? -0.000 61.611 -8.603 1.00 65.75 ? 113 VAL v O 1 +ATOM 47302 C CB . VAL HA 16 113 ? -1.574 64.415 -7.723 1.00 84.86 ? 113 VAL v CB 1 +ATOM 47303 C CG1 . VAL HA 16 113 ? -0.199 64.807 -8.264 1.00 71.20 ? 113 VAL v CG1 1 +ATOM 47304 C CG2 . VAL HA 16 113 ? -2.640 65.399 -8.214 1.00 64.55 ? 113 VAL v CG2 1 +ATOM 47305 N N . ALA HA 16 114 ? -0.819 61.505 -6.501 1.00 65.13 ? 114 ALA v N 1 +ATOM 47306 C CA . ALA HA 16 114 ? 0.200 60.551 -6.064 1.00 83.71 ? 114 ALA v CA 1 +ATOM 47307 C C . ALA HA 16 114 ? 0.066 59.215 -6.804 1.00 91.25 ? 114 ALA v C 1 +ATOM 47308 O O . ALA HA 16 114 ? 1.055 58.673 -7.322 1.00 72.44 ? 114 ALA v O 1 +ATOM 47309 C CB . ALA HA 16 114 ? 0.111 60.350 -4.544 1.00 59.43 ? 114 ALA v CB 1 +ATOM 47310 N N . ILE HA 16 115 ? -1.154 58.668 -6.855 1.00 65.84 ? 115 ILE v N 1 +ATOM 47311 C CA . ILE HA 16 115 ? -1.408 57.444 -7.606 1.00 70.56 ? 115 ILE v CA 1 +ATOM 47312 C C . ILE HA 16 115 ? -1.001 57.608 -9.066 1.00 73.16 ? 115 ILE v C 1 +ATOM 47313 O O . ILE HA 16 115 ? -0.378 56.714 -9.656 1.00 75.08 ? 115 ILE v O 1 +ATOM 47314 C CB . ILE HA 16 115 ? -2.890 57.052 -7.483 1.00 77.97 ? 115 ILE v CB 1 +ATOM 47315 C CG1 . ILE HA 16 115 ? -3.229 56.723 -6.027 1.00 68.80 ? 115 ILE v CG1 1 +ATOM 47316 C CG2 . ILE HA 16 115 ? -3.209 55.896 -8.445 1.00 75.78 ? 115 ILE v CG2 1 +ATOM 47317 C CD1 . ILE HA 16 115 ? -4.702 56.408 -5.798 1.00 62.37 ? 115 ILE v CD1 1 +ATOM 47318 N N . ALA HA 16 116 ? -1.340 58.752 -9.672 1.00 82.52 ? 116 ALA v N 1 +ATOM 47319 C CA . ALA HA 16 116 ? -1.044 58.965 -11.086 1.00 71.92 ? 116 ALA v CA 1 +ATOM 47320 C C . ALA HA 16 116 ? 0.455 58.982 -11.343 1.00 66.37 ? 116 ALA v C 1 +ATOM 47321 O O . ALA HA 16 116 ? 0.927 58.426 -12.342 1.00 64.67 ? 116 ALA v O 1 +ATOM 47322 C CB . ALA HA 16 116 ? -1.680 60.270 -11.572 1.00 78.91 ? 116 ALA v CB 1 +ATOM 47323 N N . GLY HA 16 117 ? 1.219 59.620 -10.455 1.00 63.46 ? 117 GLY v N 1 +ATOM 47324 C CA . GLY HA 16 117 ? 2.653 59.698 -10.659 1.00 62.13 ? 117 GLY v CA 1 +ATOM 47325 C C . GLY HA 16 117 ? 3.331 58.351 -10.506 1.00 70.36 ? 117 GLY v C 1 +ATOM 47326 O O . GLY HA 16 117 ? 4.304 58.048 -11.209 1.00 67.71 ? 117 GLY v O 1 +ATOM 47327 N N . HIS HA 16 118 ? 2.830 57.519 -9.590 1.00 71.01 ? 118 HIS v N 1 +ATOM 47328 C CA . HIS HA 16 118 ? 3.355 56.163 -9.484 1.00 64.84 ? 118 HIS v CA 1 +ATOM 47329 C C . HIS HA 16 118 ? 3.159 55.415 -10.798 1.00 67.32 ? 118 HIS v C 1 +ATOM 47330 O O . HIS HA 16 118 ? 4.110 54.839 -11.348 1.00 64.48 ? 118 HIS v O 1 +ATOM 47331 C CB . HIS HA 16 118 ? 2.687 55.428 -8.324 1.00 63.38 ? 118 HIS v CB 1 +ATOM 47332 C CG . HIS HA 16 118 ? 3.049 53.978 -8.246 1.00 82.55 ? 118 HIS v CG 1 +ATOM 47333 N ND1 . HIS HA 16 118 ? 4.342 53.544 -8.032 1.00 75.88 ? 118 HIS v ND1 1 +ATOM 47334 C CD2 . HIS HA 16 118 ? 2.293 52.860 -8.373 1.00 74.88 ? 118 HIS v CD2 1 +ATOM 47335 C CE1 . HIS HA 16 118 ? 4.366 52.223 -8.029 1.00 73.92 ? 118 HIS v CE1 1 +ATOM 47336 N NE2 . HIS HA 16 118 ? 3.136 51.782 -8.228 1.00 79.42 ? 118 HIS v NE2 1 +ATOM 47337 N N . ILE HA 16 119 ? 1.936 55.469 -11.346 1.00 66.71 ? 119 ILE v N 1 +ATOM 47338 C CA . ILE HA 16 119 ? 1.624 54.773 -12.596 1.00 64.26 ? 119 ILE v CA 1 +ATOM 47339 C C . ILE HA 16 119 ? 2.546 55.218 -13.721 1.00 69.02 ? 119 ILE v C 1 +ATOM 47340 O O . ILE HA 16 119 ? 2.907 54.414 -14.596 1.00 69.37 ? 119 ILE v O 1 +ATOM 47341 C CB . ILE HA 16 119 ? 0.138 54.987 -12.967 1.00 72.97 ? 119 ILE v CB 1 +ATOM 47342 C CG1 . ILE HA 16 119 ? -0.789 54.277 -11.959 1.00 68.33 ? 119 ILE v CG1 1 +ATOM 47343 C CG2 . ILE HA 16 119 ? -0.124 54.565 -14.421 1.00 63.81 ? 119 ILE v CG2 1 +ATOM 47344 C CD1 . ILE HA 16 119 ? -2.298 54.500 -12.194 1.00 59.20 ? 119 ILE v CD1 1 +ATOM 47345 N N . LEU HA 16 120 ? 2.963 56.483 -13.714 1.00 62.20 ? 120 LEU v N 1 +ATOM 47346 C CA . LEU HA 16 120 ? 3.809 57.000 -14.782 1.00 63.23 ? 120 LEU v CA 1 +ATOM 47347 C C . LEU HA 16 120 ? 5.297 56.812 -14.516 1.00 68.16 ? 120 LEU v C 1 +ATOM 47348 O O . LEU HA 16 120 ? 6.090 56.781 -15.472 1.00 70.68 ? 120 LEU v O 1 +ATOM 47349 C CB . LEU HA 16 120 ? 3.496 58.487 -15.032 1.00 73.90 ? 120 LEU v CB 1 +ATOM 47350 C CG . LEU HA 16 120 ? 2.069 58.747 -15.547 1.00 82.44 ? 120 LEU v CG 1 +ATOM 47351 C CD1 . LEU HA 16 120 ? 1.648 60.215 -15.411 1.00 76.50 ? 120 LEU v CD1 1 +ATOM 47352 C CD2 . LEU HA 16 120 ? 1.912 58.270 -16.995 1.00 67.45 ? 120 LEU v CD2 1 +ATOM 47353 N N . VAL HA 16 121 ? 5.694 56.665 -13.262 1.00 61.07 ? 121 VAL v N 1 +ATOM 47354 C CA . VAL HA 16 121 ? 7.106 56.470 -12.939 1.00 76.65 ? 121 VAL v CA 1 +ATOM 47355 C C . VAL HA 16 121 ? 7.514 55.008 -13.045 1.00 72.74 ? 121 VAL v C 1 +ATOM 47356 O O . VAL HA 16 121 ? 8.635 54.699 -13.459 1.00 65.70 ? 121 VAL v O 1 +ATOM 47357 C CB . VAL HA 16 121 ? 7.391 57.042 -11.534 1.00 74.25 ? 121 VAL v CB 1 +ATOM 47358 C CG1 . VAL HA 16 121 ? 8.779 56.631 -11.047 1.00 73.13 ? 121 VAL v CG1 1 +ATOM 47359 C CG2 . VAL HA 16 121 ? 7.258 58.550 -11.546 1.00 72.29 ? 121 VAL v CG2 1 +ATOM 47360 N N . GLU HA 16 122 ? 6.609 54.099 -12.687 1.00 64.37 ? 122 GLU v N 1 +ATOM 47361 C CA . GLU HA 16 122 ? 6.989 52.693 -12.560 1.00 69.85 ? 122 GLU v CA 1 +ATOM 47362 C C . GLU HA 16 122 ? 7.548 52.075 -13.840 1.00 62.63 ? 122 GLU v C 1 +ATOM 47363 O O . GLU HA 16 122 ? 8.579 51.388 -13.743 1.00 68.15 ? 122 GLU v O 1 +ATOM 47364 C CB . GLU HA 16 122 ? 5.808 51.874 -12.017 1.00 69.29 ? 122 GLU v CB 1 +ATOM 47365 C CG . GLU HA 16 122 ? 6.247 50.677 -11.157 1.00 73.32 ? 122 GLU v CG 1 +ATOM 47366 C CD . GLU HA 16 122 ? 7.091 51.074 -9.929 1.00 91.58 ? 122 GLU v CD 1 +ATOM 47367 O OE1 . GLU HA 16 122 ? 7.151 52.286 -9.591 1.00 70.78 ? 122 GLU v OE1 1 +ATOM 47368 O OE2 . GLU HA 16 122 ? 7.697 50.167 -9.299 1.00 70.52 ? 122 GLU v OE2 1 +ATOM 47369 N N . PRO HA 16 123 ? 6.979 52.294 -15.042 1.00 66.23 ? 123 PRO v N 1 +ATOM 47370 C CA . PRO HA 16 123 ? 7.646 51.796 -16.262 1.00 66.48 ? 123 PRO v CA 1 +ATOM 47371 C C . PRO HA 16 123 ? 9.015 52.405 -16.523 1.00 76.57 ? 123 PRO v C 1 +ATOM 47372 O O . PRO HA 16 123 ? 9.846 51.765 -17.183 1.00 65.17 ? 123 PRO v O 1 +ATOM 47373 C CB . PRO HA 16 123 ? 6.661 52.163 -17.384 1.00 68.91 ? 123 PRO v CB 1 +ATOM 47374 C CG . PRO HA 16 123 ? 5.779 53.223 -16.808 1.00 64.53 ? 123 PRO v CG 1 +ATOM 47375 C CD . PRO HA 16 123 ? 5.664 52.891 -15.358 1.00 65.93 ? 123 PRO v CD 1 +ATOM 47376 N N . LYS HA 16 124 ? 9.276 53.626 -16.047 1.00 67.39 ? 124 LYS v N 1 +ATOM 47377 C CA . LYS HA 16 124 ? 10.622 54.181 -16.184 1.00 84.40 ? 124 LYS v CA 1 +ATOM 47378 C C . LYS HA 16 124 ? 11.647 53.349 -15.420 1.00 72.87 ? 124 LYS v C 1 +ATOM 47379 O O . LYS HA 16 124 ? 12.814 53.274 -15.825 1.00 71.37 ? 124 LYS v O 1 +ATOM 47380 C CB . LYS HA 16 124 ? 10.636 55.648 -15.723 1.00 71.94 ? 124 LYS v CB 1 +ATOM 47381 C CG . LYS HA 16 124 ? 9.627 56.529 -16.480 1.00 81.83 ? 124 LYS v CG 1 +ATOM 47382 C CD . LYS HA 16 124 ? 9.647 57.988 -16.043 1.00 83.66 ? 124 LYS v CD 1 +ATOM 47383 C CE . LYS HA 16 124 ? 10.935 58.649 -16.467 1.00 86.15 ? 124 LYS v CE 1 +ATOM 47384 N NZ . LYS HA 16 124 ? 10.877 60.107 -16.230 1.00 92.29 ? 124 LYS v NZ 1 +ATOM 47385 N N . ILE HA 16 125 ? 11.218 52.702 -14.341 1.00 68.56 ? 125 ILE v N 1 +ATOM 47386 C CA . ILE HA 16 125 ? 12.079 51.855 -13.516 1.00 71.07 ? 125 ILE v CA 1 +ATOM 47387 C C . ILE HA 16 125 ? 12.069 50.406 -13.996 1.00 75.38 ? 125 ILE v C 1 +ATOM 47388 O O . ILE HA 16 125 ? 13.123 49.801 -14.198 1.00 66.19 ? 125 ILE v O 1 +ATOM 47389 C CB . ILE HA 16 125 ? 11.626 51.944 -12.044 1.00 82.64 ? 125 ILE v CB 1 +ATOM 47390 C CG1 . ILE HA 16 125 ? 11.561 53.413 -11.589 1.00 72.99 ? 125 ILE v CG1 1 +ATOM 47391 C CG2 . ILE HA 16 125 ? 12.510 51.068 -11.137 1.00 62.24 ? 125 ILE v CG2 1 +ATOM 47392 C CD1 . ILE HA 16 125 ? 10.871 53.572 -10.229 1.00 73.97 ? 125 ILE v CD1 1 +ATOM 47393 N N . LEU HA 16 126 ? 10.875 49.831 -14.183 1.00 65.51 ? 126 LEU v N 1 +ATOM 47394 C CA . LEU HA 16 126 ? 10.741 48.396 -14.422 1.00 74.04 ? 126 LEU v CA 1 +ATOM 47395 C C . LEU HA 16 126 ? 10.865 48.007 -15.893 1.00 73.15 ? 126 LEU v C 1 +ATOM 47396 O O . LEU HA 16 126 ? 11.242 46.869 -16.184 1.00 68.84 ? 126 LEU v O 1 +ATOM 47397 C CB . LEU HA 16 126 ? 9.397 47.908 -13.896 1.00 65.08 ? 126 LEU v CB 1 +ATOM 47398 C CG . LEU HA 16 126 ? 9.262 47.909 -12.384 1.00 65.54 ? 126 LEU v CG 1 +ATOM 47399 C CD1 . LEU HA 16 126 ? 7.922 47.313 -12.053 1.00 64.19 ? 126 LEU v CD1 1 +ATOM 47400 C CD2 . LEU HA 16 126 ? 10.393 47.132 -11.749 1.00 65.17 ? 126 LEU v CD2 1 +ATOM 47401 N N . GLY HA 16 127 ? 10.535 48.905 -16.822 1.00 64.22 ? 127 GLY v N 1 +ATOM 47402 C CA . GLY HA 16 127 ? 10.557 48.542 -18.229 1.00 59.04 ? 127 GLY v CA 1 +ATOM 47403 C C . GLY HA 16 127 ? 9.410 47.614 -18.577 1.00 68.14 ? 127 GLY v C 1 +ATOM 47404 O O . GLY HA 16 127 ? 8.280 47.787 -18.111 1.00 69.73 ? 127 GLY v O 1 +ATOM 47405 N N . ASP HA 16 128 ? 9.712 46.587 -19.382 1.00 70.79 ? 128 ASP v N 1 +ATOM 47406 C CA . ASP HA 16 128 ? 8.683 45.654 -19.838 1.00 70.74 ? 128 ASP v CA 1 +ATOM 47407 C C . ASP HA 16 128 ? 7.970 44.942 -18.697 1.00 70.39 ? 128 ASP v C 1 +ATOM 47408 O O . ASP HA 16 128 ? 6.840 44.479 -18.893 1.00 63.81 ? 128 ASP v O 1 +ATOM 47409 C CB . ASP HA 16 128 ? 9.289 44.601 -20.766 1.00 88.06 ? 128 ASP v CB 1 +ATOM 47410 C CG . ASP HA 16 128 ? 9.493 45.109 -22.169 1.00 89.49 ? 128 ASP v CG 1 +ATOM 47411 O OD1 . ASP HA 16 128 ? 8.849 46.123 -22.538 1.00 103.24 ? 128 ASP v OD1 1 +ATOM 47412 O OD2 . ASP HA 16 128 ? 10.285 44.481 -22.905 1.00 107.54 ? 128 ASP v OD2 1 +ATOM 47413 N N . LYS HA 16 129 ? 8.602 44.821 -17.523 1.00 62.03 ? 129 LYS v N 1 +ATOM 47414 C CA . LYS HA 16 129 ? 7.906 44.239 -16.377 1.00 58.58 ? 129 LYS v CA 1 +ATOM 47415 C C . LYS HA 16 129 ? 6.565 44.916 -16.124 1.00 67.68 ? 129 LYS v C 1 +ATOM 47416 O O . LYS HA 16 129 ? 5.565 44.238 -15.861 1.00 75.35 ? 129 LYS v O 1 +ATOM 47417 C CB . LYS HA 16 129 ? 8.764 44.322 -15.116 1.00 65.46 ? 129 LYS v CB 1 +ATOM 47418 C CG . LYS HA 16 129 ? 9.942 43.382 -15.103 1.00 61.80 ? 129 LYS v CG 1 +ATOM 47419 C CD . LYS HA 16 129 ? 10.320 43.037 -13.658 1.00 81.23 ? 129 LYS v CD 1 +ATOM 47420 C CE . LYS HA 16 129 ? 11.427 41.984 -13.608 1.00 90.08 ? 129 LYS v CE 1 +ATOM 47421 N NZ . LYS HA 16 129 ? 12.655 42.452 -14.324 1.00 93.86 ? 129 LYS v NZ 1 +ATOM 47422 N N . TRP HA 16 130 ? 6.522 46.252 -16.190 1.00 63.16 ? 130 TRP v N 1 +ATOM 47423 C CA . TRP HA 16 130 ? 5.274 46.968 -15.948 1.00 59.13 ? 130 TRP v CA 1 +ATOM 47424 C C . TRP HA 16 130 ? 4.338 46.729 -17.122 1.00 54.51 ? 130 TRP v C 1 +ATOM 47425 O O . TRP HA 16 130 ? 4.707 46.980 -18.271 1.00 54.66 ? 130 TRP v O 1 +ATOM 47426 C CB . TRP HA 16 130 ? 5.541 48.465 -15.751 1.00 67.48 ? 130 TRP v CB 1 +ATOM 47427 C CG . TRP HA 16 130 ? 4.299 49.274 -15.429 1.00 59.34 ? 130 TRP v CG 1 +ATOM 47428 C CD1 . TRP HA 16 130 ? 3.580 50.059 -16.290 1.00 69.37 ? 130 TRP v CD1 1 +ATOM 47429 C CD2 . TRP HA 16 130 ? 3.624 49.349 -14.162 1.00 62.24 ? 130 TRP v CD2 1 +ATOM 47430 N NE1 . TRP HA 16 130 ? 2.507 50.622 -15.636 1.00 67.96 ? 130 TRP v NE1 1 +ATOM 47431 C CE2 . TRP HA 16 130 ? 2.511 50.207 -14.330 1.00 65.40 ? 130 TRP v CE2 1 +ATOM 47432 C CE3 . TRP HA 16 130 ? 3.857 48.779 -12.898 1.00 58.54 ? 130 TRP v CE3 1 +ATOM 47433 C CZ2 . TRP HA 16 130 ? 1.635 50.516 -13.282 1.00 60.38 ? 130 TRP v CZ2 1 +ATOM 47434 C CZ3 . TRP HA 16 130 ? 2.983 49.089 -11.854 1.00 63.34 ? 130 TRP v CZ3 1 +ATOM 47435 C CH2 . TRP HA 16 130 ? 1.886 49.947 -12.054 1.00 71.38 ? 130 TRP v CH2 1 +ATOM 47436 N N . GLY HA 16 131 ? 3.140 46.223 -16.838 1.00 60.49 ? 131 GLY v N 1 +ATOM 47437 C CA . GLY HA 16 131 ? 2.212 45.815 -17.875 1.00 55.68 ? 131 GLY v CA 1 +ATOM 47438 C C . GLY HA 16 131 ? 2.558 44.535 -18.622 1.00 65.28 ? 131 GLY v C 1 +ATOM 47439 O O . GLY HA 16 131 ? 1.759 44.103 -19.463 1.00 59.64 ? 131 GLY v O 1 +ATOM 47440 N N . GLY HA 16 132 ? 3.712 43.908 -18.345 1.00 60.44 ? 132 GLY v N 1 +ATOM 47441 C CA . GLY HA 16 132 ? 4.150 42.748 -19.106 1.00 53.78 ? 132 GLY v CA 1 +ATOM 47442 C C . GLY HA 16 132 ? 3.547 41.417 -18.688 1.00 57.61 ? 132 GLY v C 1 +ATOM 47443 O O . GLY HA 16 132 ? 3.562 40.470 -19.482 1.00 54.39 ? 132 GLY v O 1 +ATOM 47444 N N . GLY HA 16 133 ? 3.017 41.314 -17.471 1.00 56.37 ? 133 GLY v N 1 +ATOM 47445 C CA . GLY HA 16 133 ? 2.426 40.059 -17.020 1.00 57.89 ? 133 GLY v CA 1 +ATOM 47446 C C . GLY HA 16 133 ? 3.455 38.998 -16.645 1.00 60.54 ? 133 GLY v C 1 +ATOM 47447 O O . GLY HA 16 133 ? 4.672 39.247 -16.572 1.00 56.58 ? 133 GLY v O 1 +ATOM 47448 N N A LYS HA 16 134 ? 2.944 37.773 -16.435 0.40 55.56 ? 134 LYS v N 1 +ATOM 47449 N N B LYS HA 16 134 ? 2.940 37.783 -16.431 0.60 55.61 ? 134 LYS v N 1 +ATOM 47450 C CA A LYS HA 16 134 ? 3.750 36.693 -15.865 0.40 49.52 ? 134 LYS v CA 1 +ATOM 47451 C CA B LYS HA 16 134 ? 3.733 36.702 -15.855 0.60 49.42 ? 134 LYS v CA 1 +ATOM 47452 C C A LYS HA 16 134 ? 4.971 36.354 -16.710 0.40 51.81 ? 134 LYS v C 1 +ATOM 47453 C C B LYS HA 16 134 ? 4.973 36.376 -16.676 0.60 51.81 ? 134 LYS v C 1 +ATOM 47454 O O A LYS HA 16 134 ? 5.954 35.840 -16.167 0.40 52.74 ? 134 LYS v O 1 +ATOM 47455 O O B LYS HA 16 134 ? 5.954 35.883 -16.112 0.60 52.76 ? 134 LYS v O 1 +ATOM 47456 C CB A LYS HA 16 134 ? 2.884 35.443 -15.669 0.40 50.63 ? 134 LYS v CB 1 +ATOM 47457 C CB B LYS HA 16 134 ? 2.863 35.452 -15.689 0.60 50.51 ? 134 LYS v CB 1 +ATOM 47458 C CG A LYS HA 16 134 ? 2.485 34.724 -16.983 0.40 56.21 ? 134 LYS v CG 1 +ATOM 47459 C CG B LYS HA 16 134 ? 2.401 34.810 -17.005 0.60 56.25 ? 134 LYS v CG 1 +ATOM 47460 C CD A LYS HA 16 134 ? 1.662 33.447 -16.700 0.40 54.33 ? 134 LYS v CD 1 +ATOM 47461 C CD B LYS HA 16 134 ? 1.670 33.489 -16.757 0.60 54.42 ? 134 LYS v CD 1 +ATOM 47462 C CE A LYS HA 16 134 ? 0.244 33.787 -16.273 0.40 56.40 ? 134 LYS v CE 1 +ATOM 47463 C CE B LYS HA 16 134 ? 0.263 33.709 -16.226 0.60 56.39 ? 134 LYS v CE 1 +ATOM 47464 N NZ A LYS HA 16 134 ? -0.581 32.585 -15.997 0.40 56.79 ? 134 LYS v NZ 1 +ATOM 47465 N NZ B LYS HA 16 134 ? -0.499 32.425 -16.102 0.60 56.31 ? 134 LYS v NZ 1 +ATOM 47466 N N A VAL HA 16 135 ? 4.944 36.647 -18.014 0.40 51.45 ? 135 VAL v N 1 +ATOM 47467 N N B VAL HA 16 135 ? 4.961 36.660 -17.983 0.60 51.44 ? 135 VAL v N 1 +ATOM 47468 C CA A VAL HA 16 135 ? 6.105 36.393 -18.865 0.40 52.84 ? 135 VAL v CA 1 +ATOM 47469 C CA B VAL HA 16 135 ? 6.113 36.381 -18.837 0.60 52.81 ? 135 VAL v CA 1 +ATOM 47470 C C A VAL HA 16 135 ? 7.358 37.047 -18.302 0.40 51.87 ? 135 VAL v C 1 +ATOM 47471 C C B VAL HA 16 135 ? 7.368 37.065 -18.317 0.60 51.84 ? 135 VAL v C 1 +ATOM 47472 O O A VAL HA 16 135 ? 8.456 36.492 -18.413 0.40 58.69 ? 135 VAL v O 1 +ATOM 47473 O O B VAL HA 16 135 ? 8.479 36.549 -18.482 0.60 58.94 ? 135 VAL v O 1 +ATOM 47474 C CB A VAL HA 16 135 ? 5.832 36.870 -20.312 0.40 55.33 ? 135 VAL v CB 1 +ATOM 47475 C CB B VAL HA 16 135 ? 5.807 36.798 -20.292 0.60 55.35 ? 135 VAL v CB 1 +ATOM 47476 C CG1 A VAL HA 16 135 ? 7.126 36.909 -21.120 0.40 51.83 ? 135 VAL v CG1 1 +ATOM 47477 C CG1 B VAL HA 16 135 ? 7.072 36.815 -21.137 0.60 51.77 ? 135 VAL v CG1 1 +ATOM 47478 C CG2 A VAL HA 16 135 ? 4.830 35.961 -21.003 0.40 55.84 ? 135 VAL v CG2 1 +ATOM 47479 C CG2 B VAL HA 16 135 ? 4.794 35.852 -20.906 0.60 55.71 ? 135 VAL v CG2 1 +ATOM 47480 N N . TYR HA 16 136 ? 7.223 38.219 -17.673 1.00 55.44 ? 136 TYR v N 1 +ATOM 47481 C CA . TYR HA 16 136 ? 8.363 38.995 -17.206 1.00 58.44 ? 136 TYR v CA 1 +ATOM 47482 C C . TYR HA 16 136 ? 8.602 38.911 -15.697 1.00 58.05 ? 136 TYR v C 1 +ATOM 47483 O O . TYR HA 16 136 ? 9.484 39.620 -15.190 1.00 59.48 ? 136 TYR v O 1 +ATOM 47484 C CB . TYR HA 16 136 ? 8.195 40.469 -17.617 1.00 64.38 ? 136 TYR v CB 1 +ATOM 47485 C CG . TYR HA 16 136 ? 8.143 40.601 -19.101 1.00 59.03 ? 136 TYR v CG 1 +ATOM 47486 C CD1 . TYR HA 16 136 ? 9.311 40.673 -19.842 1.00 56.56 ? 136 TYR v CD1 1 +ATOM 47487 C CD2 . TYR HA 16 136 ? 6.928 40.576 -19.773 1.00 57.05 ? 136 TYR v CD2 1 +ATOM 47488 C CE1 . TYR HA 16 136 ? 9.275 40.764 -21.223 1.00 66.11 ? 136 TYR v CE1 1 +ATOM 47489 C CE2 . TYR HA 16 136 ? 6.876 40.653 -21.153 1.00 59.23 ? 136 TYR v CE2 1 +ATOM 47490 C CZ . TYR HA 16 136 ? 8.056 40.755 -21.874 1.00 66.50 ? 136 TYR v CZ 1 +ATOM 47491 O OH . TYR HA 16 136 ? 8.035 40.818 -23.246 1.00 75.84 ? 136 TYR v OH 1 +ATOM 47492 N N A TYR HA 16 137 ? 7.836 38.097 -14.972 0.40 53.41 ? 137 TYR v N 1 +ATOM 47493 N N B TYR HA 16 137 ? 7.863 38.082 -14.970 0.60 53.38 ? 137 TYR v N 1 +ATOM 47494 C CA A TYR HA 16 137 ? 8.046 38.011 -13.516 0.40 59.43 ? 137 TYR v CA 1 +ATOM 47495 C CA B TYR HA 16 137 ? 8.061 38.003 -13.515 0.60 59.57 ? 137 TYR v CA 1 +ATOM 47496 C C A TYR HA 16 137 ? 9.453 37.561 -13.155 0.40 57.86 ? 137 TYR v C 1 +ATOM 47497 C C B TYR HA 16 137 ? 9.472 37.573 -13.124 0.60 57.91 ? 137 TYR v C 1 +ATOM 47498 O O A TYR HA 16 137 ? 9.950 37.913 -12.090 0.40 60.12 ? 137 TYR v O 1 +ATOM 47499 O O B TYR HA 16 137 ? 9.958 37.927 -12.048 0.60 60.16 ? 137 TYR v O 1 +ATOM 47500 C CB A TYR HA 16 137 ? 7.065 37.051 -12.868 0.40 51.05 ? 137 TYR v CB 1 +ATOM 47501 C CB B TYR HA 16 137 ? 7.068 37.040 -12.880 0.60 51.00 ? 137 TYR v CB 1 +ATOM 47502 C CG A TYR HA 16 137 ? 5.677 37.601 -12.740 0.40 52.94 ? 137 TYR v CG 1 +ATOM 47503 C CG B TYR HA 16 137 ? 5.673 37.583 -12.769 0.60 53.01 ? 137 TYR v CG 1 +ATOM 47504 C CD1 A TYR HA 16 137 ? 5.358 38.880 -13.209 0.40 54.48 ? 137 TYR v CD1 1 +ATOM 47505 C CD1 B TYR HA 16 137 ? 5.352 38.849 -13.249 0.60 54.49 ? 137 TYR v CD1 1 +ATOM 47506 C CD2 A TYR HA 16 137 ? 4.677 36.840 -12.165 0.40 51.18 ? 137 TYR v CD2 1 +ATOM 47507 C CD2 B TYR HA 16 137 ? 4.670 36.828 -12.185 0.60 51.19 ? 137 TYR v CD2 1 +ATOM 47508 C CE1 A TYR HA 16 137 ? 4.070 39.374 -13.089 0.40 48.95 ? 137 TYR v CE1 1 +ATOM 47509 C CE1 B TYR HA 16 137 ? 4.068 39.343 -13.140 0.60 48.84 ? 137 TYR v CE1 1 +ATOM 47510 C CE2 A TYR HA 16 137 ? 3.400 37.319 -12.044 0.40 52.71 ? 137 TYR v CE2 1 +ATOM 47511 C CE2 B TYR HA 16 137 ? 3.391 37.306 -12.077 0.60 52.63 ? 137 TYR v CE2 1 +ATOM 47512 C CZ A TYR HA 16 137 ? 3.099 38.581 -12.493 0.40 55.70 ? 137 TYR v CZ 1 +ATOM 47513 C CZ B TYR HA 16 137 ? 3.092 38.561 -12.547 0.60 55.70 ? 137 TYR v CZ 1 +ATOM 47514 O OH A TYR HA 16 137 ? 1.816 39.025 -12.340 0.40 61.32 ? 137 TYR v OH 1 +ATOM 47515 O OH B TYR HA 16 137 ? 1.805 39.018 -12.414 0.60 61.48 ? 137 TYR v OH 1 +ATOM 47516 O OXT A TYR HA 16 137 ? 10.110 36.835 -13.905 0.40 57.30 ? 137 TYR v OXT 1 +ATOM 47517 O OXT B TYR HA 16 137 ? 10.154 36.859 -13.859 0.60 57.37 ? 137 TYR v OXT 1 +ATOM 47518 N N . THR IA 17 1 ? 60.324 30.121 -17.533 1.00 107.85 ? 2 THR x N 1 +ATOM 47519 C CA . THR IA 17 1 ? 60.516 31.076 -16.449 1.00 114.13 ? 2 THR x CA 1 +ATOM 47520 C C . THR IA 17 1 ? 59.626 30.756 -15.253 1.00 119.51 ? 2 THR x C 1 +ATOM 47521 O O . THR IA 17 1 ? 59.206 29.615 -15.074 1.00 114.03 ? 2 THR x O 1 +ATOM 47522 C CB . THR IA 17 1 ? 60.225 32.502 -16.913 1.00 126.63 ? 2 THR x CB 1 +ATOM 47523 O OG1 . THR IA 17 1 ? 58.942 32.537 -17.550 1.00 104.13 ? 2 THR x OG1 1 +ATOM 47524 C CG2 . THR IA 17 1 ? 61.293 32.965 -17.892 1.00 148.37 ? 2 THR x CG2 1 +ATOM 47525 N N . ILE IA 17 2 ? 59.355 31.765 -14.429 1.00 98.74 ? 3 ILE x N 1 +ATOM 47526 C CA . ILE IA 17 2 ? 58.435 31.640 -13.307 1.00 90.58 ? 3 ILE x CA 1 +ATOM 47527 C C . ILE IA 17 2 ? 57.207 32.467 -13.653 1.00 99.02 ? 3 ILE x C 1 +ATOM 47528 O O . ILE IA 17 2 ? 57.202 33.690 -13.475 1.00 112.76 ? 3 ILE x O 1 +ATOM 47529 C CB . ILE IA 17 2 ? 59.051 32.110 -11.988 1.00 97.85 ? 3 ILE x CB 1 +ATOM 47530 C CG1 . ILE IA 17 2 ? 60.369 31.391 -11.711 1.00 105.03 ? 3 ILE x CG1 1 +ATOM 47531 C CG2 . ILE IA 17 2 ? 58.065 31.894 -10.854 1.00 93.15 ? 3 ILE x CG2 1 +ATOM 47532 C CD1 . ILE IA 17 2 ? 60.205 29.998 -11.158 1.00 109.25 ? 3 ILE x CD1 1 +ATOM 47533 N N . THR IA 17 3 ? 56.162 31.814 -14.147 1.00 80.62 ? 4 THR x N 1 +ATOM 47534 C CA . THR IA 17 3 ? 54.929 32.520 -14.430 1.00 77.19 ? 4 THR x CA 1 +ATOM 47535 C C . THR IA 17 3 ? 54.304 33.002 -13.126 1.00 65.86 ? 4 THR x C 1 +ATOM 47536 O O . THR IA 17 3 ? 54.677 32.543 -12.042 1.00 69.30 ? 4 THR x O 1 +ATOM 47537 C CB . THR IA 17 3 ? 53.946 31.612 -15.166 1.00 85.30 ? 4 THR x CB 1 +ATOM 47538 O OG1 . THR IA 17 3 ? 53.508 30.576 -14.271 1.00 74.99 ? 4 THR x OG1 1 +ATOM 47539 C CG2 . THR IA 17 3 ? 54.598 31.012 -16.399 1.00 72.34 ? 4 THR x CG2 1 +ATOM 47540 N N . PRO IA 17 4 ? 53.348 33.932 -13.208 1.00 67.38 ? 5 PRO x N 1 +ATOM 47541 C CA . PRO IA 17 4 ? 52.618 34.332 -11.996 1.00 70.75 ? 5 PRO x CA 1 +ATOM 47542 C C . PRO IA 17 4 ? 51.974 33.165 -11.265 1.00 81.16 ? 5 PRO x C 1 +ATOM 47543 O O . PRO IA 17 4 ? 52.028 33.098 -10.025 1.00 73.19 ? 5 PRO x O 1 +ATOM 47544 C CB . PRO IA 17 4 ? 51.565 35.310 -12.535 1.00 65.16 ? 5 PRO x CB 1 +ATOM 47545 C CG . PRO IA 17 4 ? 52.100 35.783 -13.794 1.00 70.86 ? 5 PRO x CG 1 +ATOM 47546 C CD . PRO IA 17 4 ? 52.906 34.690 -14.388 1.00 62.05 ? 5 PRO x CD 1 +ATOM 47547 N N . SER IA 17 5 ? 51.362 32.232 -12.005 1.00 72.79 ? 6 SER x N 1 +ATOM 47548 C CA . SER IA 17 5 ? 50.673 31.121 -11.351 1.00 64.96 ? 6 SER x CA 1 +ATOM 47549 C C . SER IA 17 5 ? 51.658 30.159 -10.705 1.00 55.60 ? 6 SER x C 1 +ATOM 47550 O O . SER IA 17 5 ? 51.338 29.560 -9.674 1.00 67.73 ? 6 SER x O 1 +ATOM 47551 C CB . SER IA 17 5 ? 49.771 30.387 -12.348 1.00 59.52 ? 6 SER x CB 1 +ATOM 47552 O OG . SER IA 17 5 ? 50.541 29.548 -13.185 1.00 65.51 ? 6 SER x OG 1 +ATOM 47553 N N . LEU IA 17 6 ? 52.855 29.987 -11.281 1.00 70.55 ? 7 LEU x N 1 +ATOM 47554 C CA . LEU IA 17 6 ? 53.874 29.193 -10.592 1.00 64.56 ? 7 LEU x CA 1 +ATOM 47555 C C . LEU IA 17 6 ? 54.320 29.889 -9.308 1.00 87.28 ? 7 LEU x C 1 +ATOM 47556 O O . LEU IA 17 6 ? 54.550 29.234 -8.283 1.00 76.46 ? 7 LEU x O 1 +ATOM 47557 C CB . LEU IA 17 6 ? 55.064 28.925 -11.516 1.00 74.38 ? 7 LEU x CB 1 +ATOM 47558 C CG . LEU IA 17 6 ? 56.208 28.049 -10.971 1.00 79.53 ? 7 LEU x CG 1 +ATOM 47559 C CD1 . LEU IA 17 6 ? 55.703 26.692 -10.498 1.00 71.57 ? 7 LEU x CD1 1 +ATOM 47560 C CD2 . LEU IA 17 6 ? 57.321 27.866 -12.012 1.00 72.42 ? 7 LEU x CD2 1 +ATOM 47561 N N . LYS IA 17 7 ? 54.434 31.221 -9.345 1.00 79.27 ? 8 LYS x N 1 +ATOM 47562 C CA . LYS IA 17 7 ? 54.595 31.985 -8.111 1.00 78.40 ? 8 LYS x CA 1 +ATOM 47563 C C . LYS IA 17 7 ? 53.476 31.658 -7.124 1.00 77.28 ? 8 LYS x C 1 +ATOM 47564 O O . LYS IA 17 7 ? 53.735 31.284 -5.973 1.00 66.02 ? 8 LYS x O 1 +ATOM 47565 C CB . LYS IA 17 7 ? 54.626 33.485 -8.421 1.00 70.51 ? 8 LYS x CB 1 +ATOM 47566 C CG . LYS IA 17 7 ? 54.362 34.357 -7.202 1.00 109.22 ? 8 LYS x CG 1 +ATOM 47567 C CD . LYS IA 17 7 ? 53.969 35.791 -7.547 1.00 108.84 ? 8 LYS x CD 1 +ATOM 47568 C CE . LYS IA 17 7 ? 53.763 36.608 -6.264 1.00 115.95 ? 8 LYS x CE 1 +ATOM 47569 N NZ . LYS IA 17 7 ? 53.292 38.008 -6.512 1.00 117.08 ? 8 LYS x NZ 1 +ATOM 47570 N N . GLY IA 17 8 ? 52.217 31.788 -7.567 1.00 65.24 ? 9 GLY x N 1 +ATOM 47571 C CA . GLY IA 17 8 ? 51.093 31.466 -6.696 1.00 62.21 ? 9 GLY x CA 1 +ATOM 47572 C C . GLY IA 17 8 ? 51.124 30.036 -6.183 1.00 80.52 ? 9 GLY x C 1 +ATOM 47573 O O . GLY IA 17 8 ? 50.679 29.761 -5.062 1.00 70.81 ? 9 GLY x O 1 +ATOM 47574 N N . PHE IA 17 9 ? 51.665 29.107 -6.977 1.00 62.97 ? 10 PHE x N 1 +ATOM 47575 C CA . PHE IA 17 9 ? 51.747 27.724 -6.514 1.00 66.87 ? 10 PHE x CA 1 +ATOM 47576 C C . PHE IA 17 9 ? 52.678 27.599 -5.314 1.00 62.59 ? 10 PHE x C 1 +ATOM 47577 O O . PHE IA 17 9 ? 52.366 26.884 -4.353 1.00 64.52 ? 10 PHE x O 1 +ATOM 47578 C CB . PHE IA 17 9 ? 52.197 26.803 -7.651 1.00 65.17 ? 10 PHE x CB 1 +ATOM 47579 C CG . PHE IA 17 9 ? 52.359 25.361 -7.229 1.00 82.32 ? 10 PHE x CG 1 +ATOM 47580 C CD1 . PHE IA 17 9 ? 51.262 24.508 -7.168 1.00 60.89 ? 10 PHE x CD1 1 +ATOM 47581 C CD2 . PHE IA 17 9 ? 53.605 24.864 -6.879 1.00 66.03 ? 10 PHE x CD2 1 +ATOM 47582 C CE1 . PHE IA 17 9 ? 51.411 23.210 -6.780 1.00 66.71 ? 10 PHE x CE1 1 +ATOM 47583 C CE2 . PHE IA 17 9 ? 53.756 23.560 -6.482 1.00 63.83 ? 10 PHE x CE2 1 +ATOM 47584 C CZ . PHE IA 17 9 ? 52.658 22.733 -6.428 1.00 73.53 ? 10 PHE x CZ 1 +ATOM 47585 N N . PHE IA 17 10 ? 53.817 28.298 -5.335 1.00 73.17 ? 11 PHE x N 1 +ATOM 47586 C CA . PHE IA 17 10 ? 54.744 28.219 -4.204 1.00 74.11 ? 11 PHE x CA 1 +ATOM 47587 C C . PHE IA 17 10 ? 54.218 28.948 -2.975 1.00 62.94 ? 11 PHE x C 1 +ATOM 47588 O O . PHE IA 17 10 ? 54.464 28.509 -1.845 1.00 76.59 ? 11 PHE x O 1 +ATOM 47589 C CB . PHE IA 17 10 ? 56.103 28.778 -4.596 1.00 79.75 ? 11 PHE x CB 1 +ATOM 47590 C CG . PHE IA 17 10 ? 56.847 27.923 -5.583 1.00 84.69 ? 11 PHE x CG 1 +ATOM 47591 C CD1 . PHE IA 17 10 ? 57.187 26.620 -5.261 1.00 79.11 ? 11 PHE x CD1 1 +ATOM 47592 C CD2 . PHE IA 17 10 ? 57.233 28.437 -6.810 1.00 74.87 ? 11 PHE x CD2 1 +ATOM 47593 C CE1 . PHE IA 17 10 ? 57.875 25.835 -6.164 1.00 84.05 ? 11 PHE x CE1 1 +ATOM 47594 C CE2 . PHE IA 17 10 ? 57.924 27.663 -7.707 1.00 87.51 ? 11 PHE x CE2 1 +ATOM 47595 C CZ . PHE IA 17 10 ? 58.245 26.356 -7.381 1.00 83.64 ? 11 PHE x CZ 1 +ATOM 47596 N N . ILE IA 17 11 ? 53.502 30.055 -3.166 1.00 71.65 ? 12 ILE x N 1 +ATOM 47597 C CA . ILE IA 17 11 ? 52.852 30.717 -2.038 1.00 72.04 ? 12 ILE x CA 1 +ATOM 47598 C C . ILE IA 17 11 ? 51.900 29.754 -1.351 1.00 72.66 ? 12 ILE x C 1 +ATOM 47599 O O . ILE IA 17 11 ? 51.911 29.610 -0.123 1.00 70.93 ? 12 ILE x O 1 +ATOM 47600 C CB . ILE IA 17 11 ? 52.123 31.992 -2.510 1.00 86.52 ? 12 ILE x CB 1 +ATOM 47601 C CG1 . ILE IA 17 11 ? 53.121 33.077 -2.912 1.00 86.02 ? 12 ILE x CG1 1 +ATOM 47602 C CG2 . ILE IA 17 11 ? 51.171 32.520 -1.440 1.00 79.24 ? 12 ILE x CG2 1 +ATOM 47603 C CD1 . ILE IA 17 11 ? 52.454 34.326 -3.428 1.00 80.57 ? 12 ILE x CD1 1 +ATOM 47604 N N . GLY IA 17 12 ? 51.068 29.068 -2.140 1.00 71.48 ? 13 GLY x N 1 +ATOM 47605 C CA . GLY IA 17 12 ? 50.166 28.079 -1.571 1.00 61.68 ? 13 GLY x CA 1 +ATOM 47606 C C . GLY IA 17 12 ? 50.902 26.939 -0.898 1.00 62.35 ? 13 GLY x C 1 +ATOM 47607 O O . GLY IA 17 12 ? 50.512 26.480 0.179 1.00 74.92 ? 13 GLY x O 1 +ATOM 47608 N N . LEU IA 17 13 ? 51.978 26.461 -1.519 1.00 72.49 ? 14 LEU x N 1 +ATOM 47609 C CA . LEU IA 17 13 ? 52.740 25.370 -0.915 1.00 72.65 ? 14 LEU x CA 1 +ATOM 47610 C C . LEU IA 17 13 ? 53.363 25.805 0.410 1.00 69.36 ? 14 LEU x C 1 +ATOM 47611 O O . LEU IA 17 13 ? 53.308 25.072 1.402 1.00 77.52 ? 14 LEU x O 1 +ATOM 47612 C CB . LEU IA 17 13 ? 53.806 24.891 -1.900 1.00 68.60 ? 14 LEU x CB 1 +ATOM 47613 C CG . LEU IA 17 13 ? 54.224 23.427 -1.887 1.00 86.85 ? 14 LEU x CG 1 +ATOM 47614 C CD1 . LEU IA 17 13 ? 53.005 22.508 -1.833 1.00 75.03 ? 14 LEU x CD1 1 +ATOM 47615 C CD2 . LEU IA 17 13 ? 55.048 23.160 -3.137 1.00 84.62 ? 14 LEU x CD2 1 +ATOM 47616 N N . LEU IA 17 14 ? 53.923 27.014 0.459 1.00 78.26 ? 15 LEU x N 1 +ATOM 47617 C CA . LEU IA 17 14 ? 54.550 27.481 1.691 1.00 66.92 ? 15 LEU x CA 1 +ATOM 47618 C C . LEU IA 17 14 ? 53.511 27.765 2.764 1.00 70.40 ? 15 LEU x C 1 +ATOM 47619 O O . LEU IA 17 14 ? 53.730 27.466 3.943 1.00 69.57 ? 15 LEU x O 1 +ATOM 47620 C CB . LEU IA 17 14 ? 55.386 28.729 1.411 1.00 86.12 ? 15 LEU x CB 1 +ATOM 47621 C CG . LEU IA 17 14 ? 56.894 28.555 1.207 1.00 110.93 ? 15 LEU x CG 1 +ATOM 47622 C CD1 . LEU IA 17 14 ? 57.218 27.401 0.261 1.00 108.84 ? 15 LEU x CD1 1 +ATOM 47623 C CD2 . LEU IA 17 14 ? 57.498 29.854 0.688 1.00 104.60 ? 15 LEU x CD2 1 +ATOM 47624 N N . SER IA 17 15 ? 52.384 28.369 2.382 1.00 70.90 ? 16 SER x N 1 +ATOM 47625 C CA . SER IA 17 15 ? 51.338 28.642 3.362 1.00 68.04 ? 16 SER x CA 1 +ATOM 47626 C C . SER IA 17 15 ? 50.871 27.356 4.019 1.00 69.81 ? 16 SER x C 1 +ATOM 47627 O O . SER IA 17 15 ? 50.750 27.280 5.250 1.00 69.61 ? 16 SER x O 1 +ATOM 47628 C CB . SER IA 17 15 ? 50.162 29.362 2.702 1.00 67.51 ? 16 SER x CB 1 +ATOM 47629 O OG . SER IA 17 15 ? 50.575 30.561 2.083 1.00 71.05 ? 16 SER x OG 1 +ATOM 47630 N N . GLY IA 17 16 ? 50.627 26.324 3.208 1.00 70.59 ? 17 GLY x N 1 +ATOM 47631 C CA . GLY IA 17 16 ? 50.202 25.045 3.757 1.00 60.64 ? 17 GLY x CA 1 +ATOM 47632 C C . GLY IA 17 16 ? 51.214 24.459 4.720 1.00 71.81 ? 17 GLY x C 1 +ATOM 47633 O O . GLY IA 17 16 ? 50.867 24.042 5.829 1.00 79.71 ? 17 GLY x O 1 +ATOM 47634 N N . ALA IA 17 17 ? 52.484 24.422 4.309 1.00 72.34 ? 18 ALA x N 1 +ATOM 47635 C CA . ALA IA 17 17 ? 53.533 23.883 5.172 1.00 71.91 ? 18 ALA x CA 1 +ATOM 47636 C C . ALA IA 17 17 ? 53.626 24.650 6.489 1.00 92.39 ? 18 ALA x C 1 +ATOM 47637 O O . ALA IA 17 17 ? 53.839 24.050 7.551 1.00 73.92 ? 18 ALA x O 1 +ATOM 47638 C CB . ALA IA 17 17 ? 54.873 23.912 4.446 1.00 76.06 ? 18 ALA x CB 1 +ATOM 47639 N N . VAL IA 17 18 ? 53.476 25.979 6.445 1.00 76.30 ? 19 VAL x N 1 +ATOM 47640 C CA . VAL IA 17 18 ? 53.506 26.750 7.684 1.00 76.38 ? 19 VAL x CA 1 +ATOM 47641 C C . VAL IA 17 18 ? 52.335 26.359 8.577 1.00 73.81 ? 19 VAL x C 1 +ATOM 47642 O O . VAL IA 17 18 ? 52.514 26.065 9.765 1.00 83.52 ? 19 VAL x O 1 +ATOM 47643 C CB . VAL IA 17 18 ? 53.519 28.262 7.392 1.00 89.71 ? 19 VAL x CB 1 +ATOM 47644 C CG1 . VAL IA 17 18 ? 53.218 29.040 8.668 1.00 70.43 ? 19 VAL x CG1 1 +ATOM 47645 C CG2 . VAL IA 17 18 ? 54.873 28.675 6.837 1.00 69.48 ? 19 VAL x CG2 1 +ATOM 47646 N N . VAL IA 17 19 ? 51.121 26.331 8.014 1.00 82.60 ? 20 VAL x N 1 +ATOM 47647 C CA . VAL IA 17 19 ? 49.938 25.967 8.798 1.00 78.05 ? 20 VAL x CA 1 +ATOM 47648 C C . VAL IA 17 19 ? 50.095 24.571 9.397 1.00 78.25 ? 20 VAL x C 1 +ATOM 47649 O O . VAL IA 17 19 ? 49.793 24.347 10.576 1.00 80.99 ? 20 VAL x O 1 +ATOM 47650 C CB . VAL IA 17 19 ? 48.662 26.075 7.938 1.00 74.01 ? 20 VAL x CB 1 +ATOM 47651 C CG1 . VAL IA 17 19 ? 47.485 25.435 8.644 1.00 79.99 ? 20 VAL x CG1 1 +ATOM 47652 C CG2 . VAL IA 17 19 ? 48.347 27.523 7.637 1.00 70.48 ? 20 VAL x CG2 1 +ATOM 47653 N N . LEU IA 17 20 ? 50.587 23.615 8.611 1.00 68.72 ? 21 LEU x N 1 +ATOM 47654 C CA . LEU IA 17 20 ? 50.839 22.293 9.171 1.00 69.54 ? 21 LEU x CA 1 +ATOM 47655 C C . LEU IA 17 20 ? 52.003 22.320 10.155 1.00 73.23 ? 21 LEU x C 1 +ATOM 47656 O O . LEU IA 17 20 ? 51.958 21.644 11.192 1.00 79.40 ? 21 LEU x O 1 +ATOM 47657 C CB . LEU IA 17 20 ? 51.108 21.290 8.058 1.00 67.81 ? 21 LEU x CB 1 +ATOM 47658 C CG . LEU IA 17 20 ? 49.923 21.017 7.132 1.00 92.52 ? 21 LEU x CG 1 +ATOM 47659 C CD1 . LEU IA 17 20 ? 50.284 19.932 6.127 1.00 85.21 ? 21 LEU x CD1 1 +ATOM 47660 C CD2 . LEU IA 17 20 ? 48.671 20.635 7.914 1.00 78.93 ? 21 LEU x CD2 1 +ATOM 47661 N N . GLY IA 17 21 ? 53.062 23.074 9.839 1.00 79.40 ? 22 GLY x N 1 +ATOM 47662 C CA . GLY IA 17 21 ? 54.203 23.152 10.742 1.00 92.84 ? 22 GLY x CA 1 +ATOM 47663 C C . GLY IA 17 21 ? 53.828 23.671 12.120 1.00 78.08 ? 22 GLY x C 1 +ATOM 47664 O O . GLY IA 17 21 ? 54.112 23.030 13.137 1.00 82.10 ? 22 GLY x O 1 +ATOM 47665 N N . LEU IA 17 22 ? 53.158 24.825 12.169 1.00 73.85 ? 23 LEU x N 1 +ATOM 47666 C CA . LEU IA 17 22 ? 52.718 25.378 13.445 1.00 80.86 ? 23 LEU x CA 1 +ATOM 47667 C C . LEU IA 17 22 ? 51.824 24.396 14.189 1.00 90.62 ? 23 LEU x C 1 +ATOM 47668 O O . LEU IA 17 22 ? 52.014 24.154 15.387 1.00 85.89 ? 23 LEU x O 1 +ATOM 47669 C CB . LEU IA 17 22 ? 51.990 26.703 13.209 1.00 83.53 ? 23 LEU x CB 1 +ATOM 47670 C CG . LEU IA 17 22 ? 52.893 27.920 13.076 1.00 102.32 ? 23 LEU x CG 1 +ATOM 47671 C CD1 . LEU IA 17 22 ? 52.057 29.190 12.942 1.00 99.72 ? 23 LEU x CD1 1 +ATOM 47672 C CD2 . LEU IA 17 22 ? 53.836 28.004 14.280 1.00 80.98 ? 23 LEU x CD2 1 +ATOM 47673 N N . THR IA 17 23 ? 50.849 23.810 13.487 1.00 84.58 ? 24 THR x N 1 +ATOM 47674 C CA . THR IA 17 23 ? 49.906 22.904 14.134 1.00 72.82 ? 24 THR x CA 1 +ATOM 47675 C C . THR IA 17 23 ? 50.629 21.776 14.845 1.00 75.30 ? 24 THR x C 1 +ATOM 47676 O O . THR IA 17 23 ? 50.320 21.462 16.001 1.00 77.74 ? 24 THR x O 1 +ATOM 47677 C CB . THR IA 17 23 ? 48.922 22.345 13.108 1.00 81.66 ? 24 THR x CB 1 +ATOM 47678 O OG1 . THR IA 17 23 ? 48.087 23.407 12.635 1.00 78.91 ? 24 THR x OG1 1 +ATOM 47679 C CG2 . THR IA 17 23 ? 48.047 21.252 13.725 1.00 74.06 ? 24 THR x CG2 1 +ATOM 47680 N N . PHE IA 17 24 ? 51.612 21.168 14.186 1.00 72.69 ? 25 PHE x N 1 +ATOM 47681 C CA . PHE IA 17 24 ? 52.305 20.077 14.852 1.00 80.12 ? 25 PHE x CA 1 +ATOM 47682 C C . PHE IA 17 24 ? 53.273 20.575 15.913 1.00 79.52 ? 25 PHE x C 1 +ATOM 47683 O O . PHE IA 17 24 ? 53.442 19.910 16.941 1.00 79.23 ? 25 PHE x O 1 +ATOM 47684 C CB . PHE IA 17 24 ? 52.995 19.187 13.823 1.00 73.14 ? 25 PHE x CB 1 +ATOM 47685 C CG . PHE IA 17 24 ? 52.114 18.086 13.335 1.00 79.10 ? 25 PHE x CG 1 +ATOM 47686 C CD1 . PHE IA 17 24 ? 51.894 16.969 14.126 1.00 89.08 ? 25 PHE x CD1 1 +ATOM 47687 C CD2 . PHE IA 17 24 ? 51.453 18.185 12.125 1.00 97.42 ? 25 PHE x CD2 1 +ATOM 47688 C CE1 . PHE IA 17 24 ? 51.053 15.944 13.694 1.00 97.51 ? 25 PHE x CE1 1 +ATOM 47689 C CE2 . PHE IA 17 24 ? 50.612 17.165 11.686 1.00 88.78 ? 25 PHE x CE2 1 +ATOM 47690 C CZ . PHE IA 17 24 ? 50.411 16.044 12.479 1.00 71.81 ? 25 PHE x CZ 1 +ATOM 47691 N N . ALA IA 17 25 ? 53.881 21.744 15.702 1.00 80.74 ? 26 ALA x N 1 +ATOM 47692 C CA . ALA IA 17 25 ? 54.688 22.362 16.748 1.00 71.37 ? 26 ALA x CA 1 +ATOM 47693 C C . ALA IA 17 25 ? 53.870 22.560 18.019 1.00 72.98 ? 26 ALA x C 1 +ATOM 47694 O O . ALA IA 17 25 ? 54.265 22.111 19.103 1.00 74.60 ? 26 ALA x O 1 +ATOM 47695 C CB . ALA IA 17 25 ? 55.255 23.695 16.252 1.00 69.56 ? 26 ALA x CB 1 +ATOM 47696 N N . VAL IA 17 26 ? 52.712 23.212 17.901 1.00 69.58 ? 27 VAL x N 1 +ATOM 47697 C CA . VAL IA 17 26 ? 51.868 23.437 19.073 1.00 63.92 ? 27 VAL x CA 1 +ATOM 47698 C C . VAL IA 17 26 ? 51.507 22.112 19.728 1.00 75.07 ? 27 VAL x C 1 +ATOM 47699 O O . VAL IA 17 26 ? 51.722 21.916 20.931 1.00 71.34 ? 27 VAL x O 1 +ATOM 47700 C CB . VAL IA 17 26 ? 50.609 24.232 18.689 1.00 78.72 ? 27 VAL x CB 1 +ATOM 47701 C CG1 . VAL IA 17 26 ? 49.650 24.270 19.855 1.00 77.23 ? 27 VAL x CG1 1 +ATOM 47702 C CG2 . VAL IA 17 26 ? 50.979 25.650 18.237 1.00 70.60 ? 27 VAL x CG2 1 +ATOM 47703 N N . LEU IA 17 27 ? 50.984 21.170 18.932 1.00 77.44 ? 28 LEU x N 1 +ATOM 47704 C CA . LEU IA 17 27 ? 50.521 19.894 19.470 1.00 69.12 ? 28 LEU x CA 1 +ATOM 47705 C C . LEU IA 17 27 ? 51.646 19.147 20.174 1.00 74.83 ? 28 LEU x C 1 +ATOM 47706 O O . LEU IA 17 27 ? 51.458 18.623 21.279 1.00 75.36 ? 28 LEU x O 1 +ATOM 47707 C CB . LEU IA 17 27 ? 49.914 19.032 18.357 1.00 72.93 ? 28 LEU x CB 1 +ATOM 47708 C CG . LEU IA 17 27 ? 48.505 19.436 17.909 1.00 75.71 ? 28 LEU x CG 1 +ATOM 47709 C CD1 . LEU IA 17 27 ? 47.968 18.504 16.854 1.00 76.12 ? 28 LEU x CD1 1 +ATOM 47710 C CD2 . LEU IA 17 27 ? 47.559 19.488 19.084 1.00 73.03 ? 28 LEU x CD2 1 +ATOM 47711 N N . ILE IA 17 28 ? 52.825 19.087 19.550 1.00 72.77 ? 29 ILE x N 1 +ATOM 47712 C CA . ILE IA 17 28 ? 53.962 18.431 20.193 1.00 73.14 ? 29 ILE x CA 1 +ATOM 47713 C C . ILE IA 17 28 ? 54.311 19.138 21.500 1.00 83.33 ? 29 ILE x C 1 +ATOM 47714 O O . ILE IA 17 28 ? 54.480 18.493 22.543 1.00 74.57 ? 29 ILE x O 1 +ATOM 47715 C CB . ILE IA 17 28 ? 55.164 18.367 19.234 1.00 79.82 ? 29 ILE x CB 1 +ATOM 47716 C CG1 . ILE IA 17 28 ? 54.870 17.381 18.094 1.00 82.81 ? 29 ILE x CG1 1 +ATOM 47717 C CG2 . ILE IA 17 28 ? 56.421 17.946 19.982 1.00 68.48 ? 29 ILE x CG2 1 +ATOM 47718 C CD1 . ILE IA 17 28 ? 55.909 17.373 16.982 1.00 80.26 ? 29 ILE x CD1 1 +ATOM 47719 N N . ALA IA 17 29 ? 54.391 20.477 21.469 1.00 64.23 ? 30 ALA x N 1 +ATOM 47720 C CA . ALA IA 17 29 ? 54.698 21.243 22.677 1.00 74.88 ? 30 ALA x CA 1 +ATOM 47721 C C . ALA IA 17 29 ? 53.687 20.959 23.779 1.00 75.33 ? 30 ALA x C 1 +ATOM 47722 O O . ALA IA 17 29 ? 54.059 20.691 24.928 1.00 75.75 ? 30 ALA x O 1 +ATOM 47723 C CB . ALA IA 17 29 ? 54.737 22.746 22.362 1.00 64.37 ? 30 ALA x CB 1 +ATOM 47724 N N . ILE IA 17 30 ? 52.398 21.001 23.441 1.00 71.46 ? 31 ILE x N 1 +ATOM 47725 C CA . ILE IA 17 30 ? 51.369 20.749 24.444 1.00 74.19 ? 31 ILE x CA 1 +ATOM 47726 C C . ILE IA 17 30 ? 51.486 19.333 25.007 1.00 74.03 ? 31 ILE x C 1 +ATOM 47727 O O . ILE IA 17 30 ? 51.243 19.106 26.195 1.00 83.35 ? 31 ILE x O 1 +ATOM 47728 C CB . ILE IA 17 30 ? 49.974 21.016 23.848 1.00 77.57 ? 31 ILE x CB 1 +ATOM 47729 C CG1 . ILE IA 17 30 ? 49.831 22.481 23.459 1.00 78.94 ? 31 ILE x CG1 1 +ATOM 47730 C CG2 . ILE IA 17 30 ? 48.870 20.622 24.837 1.00 83.37 ? 31 ILE x CG2 1 +ATOM 47731 C CD1 . ILE IA 17 30 ? 48.433 22.853 23.016 1.00 102.57 ? 31 ILE x CD1 1 +ATOM 47732 N N . SER IA 17 31 ? 51.858 18.359 24.178 1.00 79.57 ? 32 SER x N 1 +ATOM 47733 C CA . SER IA 17 31 ? 51.843 16.979 24.665 1.00 78.47 ? 32 SER x CA 1 +ATOM 47734 C C . SER IA 17 31 ? 53.029 16.676 25.570 1.00 77.72 ? 32 SER x C 1 +ATOM 47735 O O . SER IA 17 31 ? 52.915 15.834 26.470 1.00 71.68 ? 32 SER x O 1 +ATOM 47736 C CB . SER IA 17 31 ? 51.805 15.988 23.496 1.00 66.83 ? 32 SER x CB 1 +ATOM 47737 O OG . SER IA 17 31 ? 52.979 16.041 22.699 1.00 73.25 ? 32 SER x OG 1 +ATOM 47738 N N . GLN IA 17 32 ? 54.165 17.340 25.346 1.00 75.93 ? 33 GLN x N 1 +ATOM 47739 C CA . GLN IA 17 32 ? 55.314 17.173 26.231 1.00 85.59 ? 33 GLN x CA 1 +ATOM 47740 C C . GLN IA 17 32 ? 55.036 17.784 27.600 1.00 94.96 ? 33 GLN x C 1 +ATOM 47741 O O . GLN IA 17 32 ? 55.357 17.190 28.636 1.00 88.34 ? 33 GLN x O 1 +ATOM 47742 C CB . GLN IA 17 32 ? 56.553 17.809 25.600 1.00 78.06 ? 33 GLN x CB 1 +ATOM 47743 C CG . GLN IA 17 32 ? 56.997 17.156 24.294 1.00 71.53 ? 33 GLN x CG 1 +ATOM 47744 C CD . GLN IA 17 32 ? 57.704 15.832 24.514 1.00 85.43 ? 33 GLN x CD 1 +ATOM 47745 O OE1 . GLN IA 17 32 ? 58.150 15.530 25.620 1.00 116.54 ? 33 GLN x OE1 1 +ATOM 47746 N NE2 . GLN IA 17 32 ? 57.803 15.031 23.463 1.00 95.57 ? 33 GLN x NE2 1 +ATOM 47747 N N . ILE IA 17 33 ? 54.414 18.960 27.620 1.00 86.72 ? 34 ILE x N 1 +ATOM 47748 C CA . ILE IA 17 33 ? 54.050 19.601 28.877 1.00 83.43 ? 34 ILE x CA 1 +ATOM 47749 C C . ILE IA 17 33 ? 53.016 18.766 29.620 1.00 94.40 ? 34 ILE x C 1 +ATOM 47750 O O . ILE IA 17 33 ? 53.207 18.390 30.783 1.00 113.45 ? 34 ILE x O 1 +ATOM 47751 C CB . ILE IA 17 33 ? 53.532 21.021 28.610 1.00 81.02 ? 34 ILE x CB 1 +ATOM 47752 C CG1 . ILE IA 17 33 ? 54.634 21.865 27.978 1.00 81.49 ? 34 ILE x CG1 1 +ATOM 47753 C CG2 . ILE IA 17 33 ? 53.023 21.640 29.884 1.00 89.00 ? 34 ILE x CG2 1 +ATOM 47754 C CD1 . ILE IA 17 33 ? 54.152 23.204 27.488 1.00 107.13 ? 34 ILE x CD1 1 +ATOM 47755 N N . ASP IA 17 34 ? 51.908 18.459 28.951 1.00 82.81 ? 35 ASP x N 1 +ATOM 47756 C CA . ASP IA 17 34 ? 50.725 17.868 29.581 1.00 95.53 ? 35 ASP x CA 1 +ATOM 47757 C C . ASP IA 17 34 ? 50.792 16.337 29.525 1.00 94.30 ? 35 ASP x C 1 +ATOM 47758 O O . ASP IA 17 34 ? 49.901 15.660 29.010 1.00 104.63 ? 35 ASP x O 1 +ATOM 47759 C CB . ASP IA 17 34 ? 49.472 18.413 28.898 1.00 98.58 ? 35 ASP x CB 1 +ATOM 47760 C CG . ASP IA 17 34 ? 48.183 17.986 29.572 1.00 112.44 ? 35 ASP x CG 1 +ATOM 47761 O OD1 . ASP IA 17 34 ? 48.231 17.339 30.642 1.00 113.65 ? 35 ASP x OD1 1 +ATOM 47762 O OD2 . ASP IA 17 34 ? 47.112 18.303 29.009 1.00 97.54 ? 35 ASP x OD2 1 +ATOM 47763 N N . LYS IA 17 35 ? 51.872 15.794 30.086 1.00 100.63 ? 36 LYS x N 1 +ATOM 47764 C CA . LYS IA 17 35 ? 52.177 14.374 29.931 1.00 105.49 ? 36 LYS x CA 1 +ATOM 47765 C C . LYS IA 17 35 ? 51.220 13.491 30.731 1.00 120.08 ? 36 LYS x C 1 +ATOM 47766 O O . LYS IA 17 35 ? 50.722 13.871 31.795 1.00 141.07 ? 36 LYS x O 1 +ATOM 47767 C CB . LYS IA 17 35 ? 53.611 14.084 30.371 1.00 109.94 ? 36 LYS x CB 1 +ATOM 47768 C CG . LYS IA 17 35 ? 54.635 14.065 29.252 1.00 81.23 ? 36 LYS x CG 1 +ATOM 47769 C CD . LYS IA 17 35 ? 55.835 13.221 29.668 1.00 108.48 ? 36 LYS x CD 1 +ATOM 47770 C CE . LYS IA 17 35 ? 56.889 13.126 28.570 1.00 109.96 ? 36 LYS x CE 1 +ATOM 47771 N NZ . LYS IA 17 35 ? 57.533 14.439 28.284 1.00 113.76 ? 36 LYS x NZ 1 +ATOM 47772 N N . VAL IA 17 36 ? 50.977 12.287 30.202 1.00 137.83 ? 37 VAL x N 1 +ATOM 47773 C CA . VAL IA 17 36 ? 50.188 11.271 30.892 1.00 132.40 ? 37 VAL x CA 1 +ATOM 47774 C C . VAL IA 17 36 ? 51.077 10.558 31.900 1.00 141.39 ? 37 VAL x C 1 +ATOM 47775 O O . VAL IA 17 36 ? 52.252 10.278 31.631 1.00 132.73 ? 37 VAL x O 1 +ATOM 47776 C CB . VAL IA 17 36 ? 49.587 10.267 29.888 1.00 132.52 ? 37 VAL x CB 1 +ATOM 47777 C CG1 . VAL IA 17 36 ? 48.451 9.473 30.528 1.00 116.36 ? 37 VAL x CG1 1 +ATOM 47778 C CG2 . VAL IA 17 36 ? 49.119 10.973 28.636 1.00 124.38 ? 37 VAL x CG2 1 +ATOM 47779 N N . GLN IA 17 37 ? 50.514 10.256 33.064 1.00 152.23 ? 38 GLN x N 1 +ATOM 47780 C CA . GLN IA 17 37 ? 51.224 9.565 34.129 1.00 164.47 ? 38 GLN x CA 1 +ATOM 47781 C C . GLN IA 17 37 ? 50.682 8.145 34.264 1.00 152.57 ? 38 GLN x C 1 +ATOM 47782 O O . GLN IA 17 37 ? 49.477 7.912 34.116 1.00 146.45 ? 38 GLN x O 1 +ATOM 47783 C CB . GLN IA 17 37 ? 51.092 10.326 35.458 1.00 181.55 ? 38 GLN x CB 1 +ATOM 47784 C CG . GLN IA 17 37 ? 51.035 11.860 35.317 1.00 174.48 ? 38 GLN x CG 1 +ATOM 47785 C CD . GLN IA 17 37 ? 52.400 12.537 35.391 1.00 172.98 ? 38 GLN x CD 1 +ATOM 47786 O OE1 . GLN IA 17 37 ? 53.214 12.233 36.264 1.00 182.21 ? 38 GLN x OE1 1 +ATOM 47787 N NE2 . GLN IA 17 37 ? 52.650 13.465 34.473 1.00 151.91 ? 38 GLN x NE2 1 +ATOM 47788 N N . ARG IA 17 38 ? 51.576 7.198 34.528 1.00 145.44 ? 39 ARG x N 1 +ATOM 47789 C CA . ARG IA 17 38 ? 51.197 5.793 34.665 1.00 115.92 ? 39 ARG x CA 1 +ATOM 47790 C C . ARG IA 17 38 ? 51.690 5.207 35.989 1.00 136.65 ? 39 ARG x C 1 +ATOM 47791 O O . ARG IA 17 38 ? 52.042 4.029 36.069 1.00 137.84 ? 39 ARG x O 1 +ATOM 47792 C CB . ARG IA 17 38 ? 51.749 4.979 33.493 1.00 118.84 ? 39 ARG x CB 1 +ATOM 47793 C CG . ARG IA 17 38 ? 51.150 5.343 32.144 1.00 121.26 ? 39 ARG x CG 1 +ATOM 47794 C CD . ARG IA 17 38 ? 51.924 4.711 30.995 1.00 103.47 ? 39 ARG x CD 1 +ATOM 47795 N NE . ARG IA 17 38 ? 51.141 4.681 29.765 1.00 113.99 ? 39 ARG x NE 1 +ATOM 47796 C CZ . ARG IA 17 38 ? 51.086 5.670 28.883 1.00 108.08 ? 39 ARG x CZ 1 +ATOM 47797 N NH1 . ARG IA 17 38 ? 51.757 6.796 29.063 1.00 111.17 ? 39 ARG x NH1 1 +ATOM 47798 N NH2 . ARG IA 17 38 ? 50.336 5.527 27.794 1.00 91.46 ? 39 ARG x NH2 1 +ATOM 47799 N N . VAL JA 18 2 ? 5.084 53.888 19.475 1.00 114.21 ? 18 VAL y N 1 +ATOM 47800 C CA . VAL JA 18 2 ? 5.965 52.750 19.242 1.00 105.45 ? 18 VAL y CA 1 +ATOM 47801 C C . VAL JA 18 2 ? 6.835 52.483 20.474 1.00 117.67 ? 18 VAL y C 1 +ATOM 47802 O O . VAL JA 18 2 ? 6.992 51.330 20.895 1.00 104.56 ? 18 VAL y O 1 +ATOM 47803 C CB . VAL JA 18 2 ? 6.835 52.967 17.993 1.00 103.97 ? 18 VAL y CB 1 +ATOM 47804 C CG1 . VAL JA 18 2 ? 6.760 51.752 17.088 1.00 82.55 ? 18 VAL y CG1 1 +ATOM 47805 C CG2 . VAL JA 18 2 ? 6.403 54.231 17.247 1.00 123.13 ? 18 VAL y CG2 1 +ATOM 47806 N N . ILE JA 18 3 ? 7.414 53.543 21.045 1.00 116.84 ? 19 ILE y N 1 +ATOM 47807 C CA . ILE JA 18 3 ? 8.067 53.408 22.346 1.00 117.49 ? 19 ILE y CA 1 +ATOM 47808 C C . ILE JA 18 3 ? 7.050 52.982 23.399 1.00 118.40 ? 19 ILE y C 1 +ATOM 47809 O O . ILE JA 18 3 ? 7.355 52.183 24.295 1.00 106.75 ? 19 ILE y O 1 +ATOM 47810 C CB . ILE JA 18 3 ? 8.785 54.719 22.730 1.00 134.11 ? 19 ILE y CB 1 +ATOM 47811 C CG1 . ILE JA 18 3 ? 10.261 54.657 22.324 1.00 122.50 ? 19 ILE y CG1 1 +ATOM 47812 C CG2 . ILE JA 18 3 ? 8.646 55.026 24.228 1.00 111.20 ? 19 ILE y CG2 1 +ATOM 47813 C CD1 . ILE JA 18 3 ? 11.089 55.833 22.815 1.00 125.42 ? 19 ILE y CD1 1 +ATOM 47814 N N . ALA JA 18 4 ? 5.815 53.486 23.288 1.00 111.09 ? 20 ALA y N 1 +ATOM 47815 C CA . ALA JA 18 4 ? 4.758 53.069 24.205 1.00 123.52 ? 20 ALA y CA 1 +ATOM 47816 C C . ALA JA 18 4 ? 4.481 51.575 24.084 1.00 111.31 ? 20 ALA y C 1 +ATOM 47817 O O . ALA JA 18 4 ? 4.338 50.881 25.096 1.00 103.33 ? 20 ALA y O 1 +ATOM 47818 C CB . ALA JA 18 4 ? 3.484 53.874 23.945 1.00 113.15 ? 20 ALA y CB 1 +ATOM 47819 N N . GLN JA 18 5 ? 4.415 51.060 22.851 1.00 117.34 ? 21 GLN y N 1 +ATOM 47820 C CA . GLN JA 18 5 ? 4.155 49.635 22.652 1.00 107.69 ? 21 GLN y CA 1 +ATOM 47821 C C . GLN JA 18 5 ? 5.239 48.774 23.291 1.00 87.60 ? 21 GLN y C 1 +ATOM 47822 O O . GLN JA 18 5 ? 4.936 47.828 24.026 1.00 92.23 ? 21 GLN y O 1 +ATOM 47823 C CB . GLN JA 18 5 ? 4.033 49.326 21.160 1.00 91.03 ? 21 GLN y CB 1 +ATOM 47824 C CG . GLN JA 18 5 ? 2.644 49.528 20.604 1.00 88.24 ? 21 GLN y CG 1 +ATOM 47825 C CD . GLN JA 18 5 ? 2.651 49.652 19.097 1.00 100.77 ? 21 GLN y CD 1 +ATOM 47826 O OE1 . GLN JA 18 5 ? 3.699 49.897 18.495 1.00 104.25 ? 21 GLN y OE1 1 +ATOM 47827 N NE2 . GLN JA 18 5 ? 1.485 49.481 18.474 1.00 87.13 ? 21 GLN y NE2 1 +ATOM 47828 N N . LEU JA 18 6 ? 6.513 49.081 23.019 1.00 98.19 ? 22 LEU y N 1 +ATOM 47829 C CA . LEU JA 18 6 ? 7.593 48.300 23.613 1.00 88.07 ? 22 LEU y CA 1 +ATOM 47830 C C . LEU JA 18 6 ? 7.615 48.432 25.133 1.00 110.17 ? 22 LEU y C 1 +ATOM 47831 O O . LEU JA 18 6 ? 7.982 47.476 25.827 1.00 103.57 ? 22 LEU y O 1 +ATOM 47832 C CB . LEU JA 18 6 ? 8.945 48.701 23.016 1.00 88.63 ? 22 LEU y CB 1 +ATOM 47833 C CG . LEU JA 18 6 ? 9.172 48.330 21.543 1.00 100.62 ? 22 LEU y CG 1 +ATOM 47834 C CD1 . LEU JA 18 6 ? 10.654 48.198 21.183 1.00 87.10 ? 22 LEU y CD1 1 +ATOM 47835 C CD2 . LEU JA 18 6 ? 8.439 47.057 21.198 1.00 90.48 ? 22 LEU y CD2 1 +ATOM 47836 N N . THR JA 18 7 ? 7.210 49.589 25.670 1.00 86.55 ? 23 THR y N 1 +ATOM 47837 C CA . THR JA 18 7 ? 7.178 49.754 27.121 1.00 89.86 ? 23 THR y CA 1 +ATOM 47838 C C . THR JA 18 7 ? 6.037 48.959 27.750 1.00 81.97 ? 23 THR y C 1 +ATOM 47839 O O . THR JA 18 7 ? 6.227 48.320 28.789 1.00 95.60 ? 23 THR y O 1 +ATOM 47840 C CB . THR JA 18 7 ? 7.072 51.239 27.484 1.00 106.91 ? 23 THR y CB 1 +ATOM 47841 O OG1 . THR JA 18 7 ? 8.172 51.951 26.904 1.00 85.94 ? 23 THR y OG1 1 +ATOM 47842 C CG2 . THR JA 18 7 ? 7.105 51.424 29.001 1.00 94.58 ? 23 THR y CG2 1 +ATOM 47843 N N . MET JA 18 8 ? 4.844 48.986 27.141 1.00 87.54 ? 24 MET y N 1 +ATOM 47844 C CA . MET JA 18 8 ? 3.730 48.186 27.652 1.00 83.95 ? 24 MET y CA 1 +ATOM 47845 C C . MET JA 18 8 ? 4.065 46.699 27.647 1.00 92.68 ? 24 MET y C 1 +ATOM 47846 O O . MET JA 18 8 ? 3.751 45.985 28.605 1.00 92.13 ? 24 MET y O 1 +ATOM 47847 C CB . MET JA 18 8 ? 2.461 48.426 26.828 1.00 99.05 ? 24 MET y CB 1 +ATOM 47848 C CG . MET JA 18 8 ? 2.008 49.861 26.762 1.00 96.09 ? 24 MET y CG 1 +ATOM 47849 S SD . MET JA 18 8 ? 2.118 50.617 28.384 1.00 127.93 ? 24 MET y SD 1 +ATOM 47850 C CE . MET JA 18 8 ? 0.535 50.159 29.085 1.00 103.88 ? 24 MET y CE 1 +ATOM 47851 N N . ILE JA 18 9 ? 4.689 46.209 26.569 1.00 82.35 ? 25 ILE y N 1 +ATOM 47852 C CA . ILE JA 18 9 ? 4.985 44.783 26.488 1.00 98.84 ? 25 ILE y CA 1 +ATOM 47853 C C . ILE JA 18 9 ? 6.091 44.410 27.469 1.00 89.43 ? 25 ILE y C 1 +ATOM 47854 O O . ILE JA 18 9 ? 6.068 43.321 28.057 1.00 79.73 ? 25 ILE y O 1 +ATOM 47855 C CB . ILE JA 18 9 ? 5.329 44.385 25.034 1.00 92.08 ? 25 ILE y CB 1 +ATOM 47856 C CG1 . ILE JA 18 9 ? 5.476 42.871 24.900 1.00 99.78 ? 25 ILE y CG1 1 +ATOM 47857 C CG2 . ILE JA 18 9 ? 6.594 45.054 24.556 1.00 97.02 ? 25 ILE y CG2 1 +ATOM 47858 C CD1 . ILE JA 18 9 ? 4.198 42.110 25.160 1.00 86.84 ? 25 ILE y CD1 1 +ATOM 47859 N N . ALA JA 18 10 ? 7.054 45.310 27.683 1.00 80.06 ? 26 ALA y N 1 +ATOM 47860 C CA . ALA JA 18 10 ? 8.089 45.079 28.686 1.00 109.37 ? 26 ALA y CA 1 +ATOM 47861 C C . ALA JA 18 10 ? 7.493 44.966 30.092 1.00 101.62 ? 26 ALA y C 1 +ATOM 47862 O O . ALA JA 18 10 ? 7.842 44.059 30.857 1.00 91.96 ? 26 ALA y O 1 +ATOM 47863 C CB . ALA JA 18 10 ? 9.129 46.200 28.620 1.00 88.69 ? 26 ALA y CB 1 +ATOM 47864 N N . MET JA 18 11 ? 6.587 45.881 30.449 1.00 75.04 ? 27 MET y N 1 +ATOM 47865 C CA . MET JA 18 11 ? 5.949 45.819 31.761 1.00 80.99 ? 27 MET y CA 1 +ATOM 47866 C C . MET JA 18 11 ? 5.079 44.578 31.897 1.00 91.77 ? 27 MET y C 1 +ATOM 47867 O O . MET JA 18 11 ? 5.155 43.861 32.904 1.00 95.00 ? 27 MET y O 1 +ATOM 47868 C CB . MET JA 18 11 ? 5.117 47.075 32.004 1.00 95.55 ? 27 MET y CB 1 +ATOM 47869 C CG . MET JA 18 11 ? 5.940 48.336 32.182 1.00 117.41 ? 27 MET y CG 1 +ATOM 47870 S SD . MET JA 18 11 ? 4.889 49.793 32.353 1.00 156.52 ? 27 MET y SD 1 +ATOM 47871 C CE . MET JA 18 11 ? 3.947 49.372 33.827 1.00 115.56 ? 27 MET y CE 1 +ATOM 47872 N N . ILE JA 18 12 ? 4.226 44.323 30.900 1.00 82.46 ? 28 ILE y N 1 +ATOM 47873 C CA . ILE JA 18 12 ? 3.382 43.130 30.907 1.00 86.42 ? 28 ILE y CA 1 +ATOM 47874 C C . ILE JA 18 12 ? 4.239 41.868 30.913 1.00 78.01 ? 28 ILE y C 1 +ATOM 47875 O O . ILE JA 18 12 ? 3.965 40.912 31.646 1.00 75.46 ? 28 ILE y O 1 +ATOM 47876 C CB . ILE JA 18 12 ? 2.421 43.165 29.701 1.00 91.00 ? 28 ILE y CB 1 +ATOM 47877 C CG1 . ILE JA 18 12 ? 1.288 44.156 29.956 1.00 76.11 ? 28 ILE y CG1 1 +ATOM 47878 C CG2 . ILE JA 18 12 ? 1.877 41.769 29.368 1.00 79.76 ? 28 ILE y CG2 1 +ATOM 47879 C CD1 . ILE JA 18 12 ? 0.472 44.478 28.715 1.00 92.48 ? 28 ILE y CD1 1 +ATOM 47880 N N . GLY JA 18 13 ? 5.301 41.854 30.108 1.00 88.51 ? 29 GLY y N 1 +ATOM 47881 C CA . GLY JA 18 13 ? 6.129 40.665 30.015 1.00 80.32 ? 29 GLY y CA 1 +ATOM 47882 C C . GLY JA 18 13 ? 6.859 40.358 31.306 1.00 95.14 ? 29 GLY y C 1 +ATOM 47883 O O . GLY JA 18 13 ? 7.051 39.191 31.657 1.00 79.00 ? 29 GLY y O 1 +ATOM 47884 N N . ILE JA 18 14 ? 7.264 41.398 32.039 1.00 94.78 ? 30 ILE y N 1 +ATOM 47885 C CA . ILE JA 18 14 ? 8.053 41.174 33.242 1.00 87.48 ? 30 ILE y CA 1 +ATOM 47886 C C . ILE JA 18 14 ? 7.175 40.791 34.424 1.00 84.44 ? 30 ILE y C 1 +ATOM 47887 O O . ILE JA 18 14 ? 7.674 40.183 35.380 1.00 76.80 ? 30 ILE y O 1 +ATOM 47888 C CB . ILE JA 18 14 ? 8.913 42.411 33.561 1.00 101.85 ? 30 ILE y CB 1 +ATOM 47889 C CG1 . ILE JA 18 14 ? 10.276 41.974 34.102 1.00 102.05 ? 30 ILE y CG1 1 +ATOM 47890 C CG2 . ILE JA 18 14 ? 8.213 43.335 34.556 1.00 85.66 ? 30 ILE y CG2 1 +ATOM 47891 C CD1 . ILE JA 18 14 ? 11.079 41.141 33.110 1.00 101.22 ? 30 ILE y CD1 1 +ATOM 47892 N N . ALA JA 18 15 ? 5.872 41.081 34.361 1.00 74.92 ? 31 ALA y N 1 +ATOM 47893 C CA . ALA JA 18 15 ? 4.990 40.788 35.488 1.00 75.71 ? 31 ALA y CA 1 +ATOM 47894 C C . ALA JA 18 15 ? 4.995 39.304 35.839 1.00 84.18 ? 31 ALA y C 1 +ATOM 47895 O O . ALA JA 18 15 ? 4.898 38.937 37.019 1.00 85.70 ? 31 ALA y O 1 +ATOM 47896 C CB . ALA JA 18 15 ? 3.570 41.254 35.177 1.00 73.80 ? 31 ALA y CB 1 +ATOM 47897 N N . GLY JA 18 16 ? 5.093 38.435 34.828 1.00 85.79 ? 32 GLY y N 1 +ATOM 47898 C CA . GLY JA 18 16 ? 5.030 37.002 35.024 1.00 65.66 ? 32 GLY y CA 1 +ATOM 47899 C C . GLY JA 18 16 ? 6.139 36.473 35.911 1.00 77.37 ? 32 GLY y C 1 +ATOM 47900 O O . GLY JA 18 16 ? 5.897 35.950 37.007 1.00 70.53 ? 32 GLY y O 1 +ATOM 47901 N N . PRO JA 18 17 ? 7.387 36.598 35.448 1.00 72.89 ? 33 PRO y N 1 +ATOM 47902 C CA . PRO JA 18 17 ? 8.524 36.169 36.285 1.00 84.41 ? 33 PRO y CA 1 +ATOM 47903 C C . PRO JA 18 17 ? 8.590 36.888 37.623 1.00 96.40 ? 33 PRO y C 1 +ATOM 47904 O O . PRO JA 18 17 ? 9.048 36.303 38.616 1.00 88.42 ? 33 PRO y O 1 +ATOM 47905 C CB . PRO JA 18 17 ? 9.745 36.496 35.410 1.00 78.14 ? 33 PRO y CB 1 +ATOM 47906 C CG . PRO JA 18 17 ? 9.204 36.580 34.006 1.00 88.90 ? 33 PRO y CG 1 +ATOM 47907 C CD . PRO JA 18 17 ? 7.825 37.148 34.156 1.00 70.97 ? 33 PRO y CD 1 +ATOM 47908 N N . MET JA 18 18 ? 8.146 38.152 37.664 1.00 83.72 ? 34 MET y N 1 +ATOM 47909 C CA . MET JA 18 18 ? 8.111 38.909 38.907 1.00 74.44 ? 34 MET y CA 1 +ATOM 47910 C C . MET JA 18 18 ? 7.285 38.193 39.966 1.00 86.91 ? 34 MET y C 1 +ATOM 47911 O O . MET JA 18 18 ? 7.677 38.147 41.138 1.00 77.28 ? 34 MET y O 1 +ATOM 47912 C CB . MET JA 18 18 ? 7.542 40.298 38.650 1.00 84.89 ? 34 MET y CB 1 +ATOM 47913 C CG . MET JA 18 18 ? 7.299 41.090 39.911 1.00 105.77 ? 34 MET y CG 1 +ATOM 47914 S SD . MET JA 18 18 ? 8.735 42.092 40.299 1.00 130.15 ? 34 MET y SD 1 +ATOM 47915 C CE . MET JA 18 18 ? 8.357 43.562 39.342 1.00 118.52 ? 34 MET y CE 1 +ATOM 47916 N N . ILE JA 18 19 ? 6.135 37.633 39.576 1.00 84.61 ? 35 ILE y N 1 +ATOM 47917 C CA . ILE JA 18 19 ? 5.343 36.856 40.525 1.00 83.69 ? 35 ILE y CA 1 +ATOM 47918 C C . ILE JA 18 19 ? 6.125 35.638 40.996 1.00 85.20 ? 35 ILE y C 1 +ATOM 47919 O O . ILE JA 18 19 ? 6.150 35.325 42.192 1.00 88.55 ? 35 ILE y O 1 +ATOM 47920 C CB . ILE JA 18 19 ? 3.992 36.453 39.909 1.00 77.47 ? 35 ILE y CB 1 +ATOM 47921 C CG1 . ILE JA 18 19 ? 3.230 37.689 39.433 1.00 84.97 ? 35 ILE y CG1 1 +ATOM 47922 C CG2 . ILE JA 18 19 ? 3.160 35.653 40.912 1.00 72.29 ? 35 ILE y CG2 1 +ATOM 47923 C CD1 . ILE JA 18 19 ? 1.893 37.361 38.814 1.00 86.43 ? 35 ILE y CD1 1 +ATOM 47924 N N . ILE JA 18 20 ? 6.791 34.940 40.075 1.00 74.42 ? 36 ILE y N 1 +ATOM 47925 C CA . ILE JA 18 20 ? 7.552 33.761 40.473 1.00 81.62 ? 36 ILE y CA 1 +ATOM 47926 C C . ILE JA 18 20 ? 8.728 34.162 41.359 1.00 87.06 ? 36 ILE y C 1 +ATOM 47927 O O . ILE JA 18 20 ? 9.051 33.479 42.339 1.00 78.81 ? 36 ILE y O 1 +ATOM 47928 C CB . ILE JA 18 20 ? 8.013 32.969 39.233 1.00 76.93 ? 36 ILE y CB 1 +ATOM 47929 C CG1 . ILE JA 18 20 ? 6.813 32.412 38.458 1.00 80.17 ? 36 ILE y CG1 1 +ATOM 47930 C CG2 . ILE JA 18 20 ? 8.941 31.858 39.627 1.00 70.56 ? 36 ILE y CG2 1 +ATOM 47931 C CD1 . ILE JA 18 20 ? 5.690 31.905 39.334 1.00 76.34 ? 36 ILE y CD1 1 +ATOM 47932 N N . PHE JA 18 21 ? 9.378 35.278 41.031 1.00 82.56 ? 37 PHE y N 1 +ATOM 47933 C CA . PHE JA 18 21 ? 10.524 35.754 41.802 1.00 86.68 ? 37 PHE y CA 1 +ATOM 47934 C C . PHE JA 18 21 ? 10.113 36.166 43.216 1.00 87.39 ? 37 PHE y C 1 +ATOM 47935 O O . PHE JA 18 21 ? 10.766 35.789 44.196 1.00 83.44 ? 37 PHE y O 1 +ATOM 47936 C CB . PHE JA 18 21 ? 11.180 36.919 41.051 1.00 105.37 ? 37 PHE y CB 1 +ATOM 47937 C CG . PHE JA 18 21 ? 12.348 37.540 41.765 1.00 105.97 ? 37 PHE y CG 1 +ATOM 47938 C CD1 . PHE JA 18 21 ? 13.610 36.969 41.686 1.00 109.00 ? 37 PHE y CD1 1 +ATOM 47939 C CD2 . PHE JA 18 21 ? 12.191 38.713 42.489 1.00 98.92 ? 37 PHE y CD2 1 +ATOM 47940 C CE1 . PHE JA 18 21 ? 14.688 37.545 42.330 1.00 102.25 ? 37 PHE y CE1 1 +ATOM 47941 C CE2 . PHE JA 18 21 ? 13.262 39.291 43.132 1.00 98.02 ? 37 PHE y CE2 1 +ATOM 47942 C CZ . PHE JA 18 21 ? 14.513 38.709 43.052 1.00 100.31 ? 37 PHE y CZ 1 +ATOM 47943 N N . LEU JA 18 22 ? 9.025 36.934 43.339 1.00 79.99 ? 38 LEU y N 1 +ATOM 47944 C CA . LEU JA 18 22 ? 8.544 37.350 44.653 1.00 87.89 ? 38 LEU y CA 1 +ATOM 47945 C C . LEU JA 18 22 ? 8.231 36.146 45.533 1.00 89.65 ? 38 LEU y C 1 +ATOM 47946 O O . LEU JA 18 22 ? 8.625 36.101 46.704 1.00 95.02 ? 38 LEU y O 1 +ATOM 47947 C CB . LEU JA 18 22 ? 7.309 38.247 44.508 1.00 94.55 ? 38 LEU y CB 1 +ATOM 47948 C CG . LEU JA 18 22 ? 7.512 39.636 43.879 1.00 96.84 ? 38 LEU y CG 1 +ATOM 47949 C CD1 . LEU JA 18 22 ? 6.217 40.445 43.890 1.00 77.57 ? 38 LEU y CD1 1 +ATOM 47950 C CD2 . LEU JA 18 22 ? 8.625 40.393 44.572 1.00 76.84 ? 38 LEU y CD2 1 +ATOM 47951 N N . LEU JA 18 23 ? 7.521 35.155 44.988 1.00 85.09 ? 39 LEU y N 1 +ATOM 47952 C CA . LEU JA 18 23 ? 7.204 33.969 45.776 1.00 89.85 ? 39 LEU y CA 1 +ATOM 47953 C C . LEU JA 18 23 ? 8.451 33.151 46.079 1.00 88.44 ? 39 LEU y C 1 +ATOM 47954 O O . LEU JA 18 23 ? 8.539 32.532 47.145 1.00 79.84 ? 39 LEU y O 1 +ATOM 47955 C CB . LEU JA 18 23 ? 6.170 33.111 45.053 1.00 73.30 ? 39 LEU y CB 1 +ATOM 47956 C CG . LEU JA 18 23 ? 4.759 33.689 45.104 1.00 101.52 ? 39 LEU y CG 1 +ATOM 47957 C CD1 . LEU JA 18 23 ? 3.819 32.932 44.165 1.00 84.53 ? 39 LEU y CD1 1 +ATOM 47958 C CD2 . LEU JA 18 23 ? 4.242 33.668 46.543 1.00 83.10 ? 39 LEU y CD2 1 +ATOM 47959 N N . ALA JA 18 24 ? 9.420 33.139 45.163 1.00 85.95 ? 40 ALA y N 1 +ATOM 47960 C CA . ALA JA 18 24 ? 10.662 32.424 45.426 1.00 83.73 ? 40 ALA y CA 1 +ATOM 47961 C C . ALA JA 18 24 ? 11.389 33.024 46.621 1.00 101.07 ? 40 ALA y C 1 +ATOM 47962 O O . ALA JA 18 24 ? 11.881 32.293 47.489 1.00 96.16 ? 40 ALA y O 1 +ATOM 47963 C CB . ALA JA 18 24 ? 11.559 32.448 44.189 1.00 75.69 ? 40 ALA y CB 1 +ATOM 47964 N N . VAL JA 18 25 ? 11.440 34.357 46.699 1.00 93.59 ? 41 VAL y N 1 +ATOM 47965 C CA . VAL JA 18 25 ? 12.218 35.008 47.745 1.00 98.73 ? 41 VAL y CA 1 +ATOM 47966 C C . VAL JA 18 25 ? 11.555 34.833 49.106 1.00 104.87 ? 41 VAL y C 1 +ATOM 47967 O O . VAL JA 18 25 ? 12.229 34.543 50.100 1.00 100.93 ? 41 VAL y O 1 +ATOM 47968 C CB . VAL JA 18 25 ? 12.436 36.492 47.401 1.00 97.79 ? 41 VAL y CB 1 +ATOM 47969 C CG1 . VAL JA 18 25 ? 13.215 37.169 48.507 1.00 135.96 ? 41 VAL y CG1 1 +ATOM 47970 C CG2 . VAL JA 18 25 ? 13.174 36.628 46.079 1.00 105.05 ? 41 VAL y CG2 1 +ATOM 47971 N N . ARG JA 18 26 ? 10.234 35.003 49.179 1.00 95.63 ? 42 ARG y N 1 +ATOM 47972 C CA . ARG JA 18 26 ? 9.511 34.840 50.429 1.00 79.52 ? 42 ARG y CA 1 +ATOM 47973 C C . ARG JA 18 26 ? 8.999 33.417 50.630 1.00 98.00 ? 42 ARG y C 1 +ATOM 47974 O O . ARG JA 18 26 ? 8.089 33.205 51.443 1.00 88.19 ? 42 ARG y O 1 +ATOM 47975 C CB . ARG JA 18 26 ? 8.366 35.852 50.514 1.00 87.69 ? 42 ARG y CB 1 +ATOM 47976 C CG . ARG JA 18 26 ? 7.266 35.675 49.519 1.00 101.39 ? 42 ARG y CG 1 +ATOM 47977 C CD . ARG JA 18 26 ? 6.528 36.998 49.326 1.00 122.23 ? 42 ARG y CD 1 +ATOM 47978 N NE . ARG JA 18 26 ? 5.656 37.321 50.450 1.00 135.17 ? 42 ARG y NE 1 +ATOM 47979 C CZ . ARG JA 18 26 ? 5.007 38.470 50.592 1.00 146.72 ? 42 ARG y CZ 1 +ATOM 47980 N NH1 . ARG JA 18 26 ? 5.118 39.442 49.697 1.00 132.05 ? 42 ARG y NH1 1 +ATOM 47981 N NH2 . ARG JA 18 26 ? 4.234 38.652 51.661 1.00 142.24 ? 42 ARG y NH2 1 +ATOM 47982 N N . ARG JA 18 27 ? 9.575 32.450 49.907 1.00 110.75 ? 43 ARG y N 1 +ATOM 47983 C CA . ARG JA 18 27 ? 9.317 31.012 50.063 1.00 93.53 ? 43 ARG y CA 1 +ATOM 47984 C C . ARG JA 18 27 ? 7.824 30.691 50.118 1.00 89.67 ? 43 ARG y C 1 +ATOM 47985 O O . ARG JA 18 27 ? 7.342 29.980 51.006 1.00 89.71 ? 43 ARG y O 1 +ATOM 47986 C CB . ARG JA 18 27 ? 10.051 30.463 51.281 1.00 94.57 ? 43 ARG y CB 1 +ATOM 47987 C CG . ARG JA 18 27 ? 11.565 30.527 51.126 1.00 113.14 ? 43 ARG y CG 1 +ATOM 47988 C CD . ARG JA 18 27 ? 12.287 30.070 52.381 1.00 135.50 ? 43 ARG y CD 1 +ATOM 47989 N NE . ARG JA 18 27 ? 13.727 30.299 52.303 1.00 152.75 ? 43 ARG y NE 1 +ATOM 47990 C CZ . ARG JA 18 27 ? 14.559 30.205 53.334 1.00 144.92 ? 43 ARG y CZ 1 +ATOM 47991 N NH1 . ARG JA 18 27 ? 14.127 29.897 54.548 1.00 113.79 ? 43 ARG y NH1 1 +ATOM 47992 N NH2 . ARG JA 18 27 ? 15.858 30.426 53.143 1.00 118.75 ? 43 ARG y NH2 1 +ATOM 47993 N N . GLY JA 18 28 ? 7.094 31.198 49.126 1.00 92.77 ? 44 GLY y N 1 +ATOM 47994 C CA . GLY JA 18 28 ? 5.674 30.932 48.997 1.00 81.31 ? 44 GLY y CA 1 +ATOM 47995 C C . GLY JA 18 28 ? 5.380 29.524 48.495 1.00 83.33 ? 44 GLY y C 1 +ATOM 47996 O O . GLY JA 18 28 ? 6.267 28.707 48.235 1.00 73.09 ? 44 GLY y O 1 +ATOM 47997 N N . ASN JA 18 29 ? 4.078 29.247 48.362 1.00 81.12 ? 45 ASN y N 1 +ATOM 47998 C CA . ASN JA 18 29 ? 3.577 27.947 47.904 1.00 88.92 ? 45 ASN y CA 1 +ATOM 47999 C C . ASN JA 18 29 ? 3.707 27.808 46.376 1.00 104.12 ? 45 ASN y C 1 +ATOM 48000 O O . ASN JA 18 29 ? 2.728 27.692 45.633 1.00 77.19 ? 45 ASN y O 1 +ATOM 48001 C CB . ASN JA 18 29 ? 2.131 27.772 48.354 1.00 81.91 ? 45 ASN y CB 1 +ATOM 48002 C CG . ASN JA 18 29 ? 1.929 26.545 49.200 1.00 99.88 ? 45 ASN y CG 1 +ATOM 48003 O OD1 . ASN JA 18 29 ? 1.567 25.483 48.699 1.00 108.88 ? 45 ASN y OD1 1 +ATOM 48004 N ND2 . ASN JA 18 29 ? 2.157 26.682 50.505 1.00 151.67 ? 45 ASN y ND2 1 +ATOM 48005 N N . LEU JA 18 30 ? 4.953 27.804 45.902 1.00 75.49 ? 46 LEU y N 1 +ATOM 48006 C CA . LEU JA 18 30 ? 5.219 27.509 44.500 1.00 78.73 ? 46 LEU y CA 1 +ATOM 48007 C C . LEU JA 18 30 ? 4.924 26.042 44.185 1.00 96.17 ? 46 LEU y C 1 +ATOM 48008 O O . LEU JA 18 30 ? 4.762 25.677 43.012 1.00 80.91 ? 46 LEU y O 1 +ATOM 48009 C CB . LEU JA 18 30 ? 6.663 27.830 44.131 1.00 73.14 ? 46 LEU y CB 1 +ATOM 48010 C CG . LEU JA 18 30 ? 7.010 29.302 43.961 1.00 79.88 ? 46 LEU y CG 1 +ATOM 48011 C CD1 . LEU JA 18 30 ? 8.451 29.413 43.517 1.00 77.26 ? 46 LEU y CD1 1 +ATOM 48012 C CD2 . LEU JA 18 30 ? 6.070 29.979 42.973 1.00 74.54 ? 46 LEU y CD2 1 +ATOM 48013 O OXT . LEU JA 18 30 ? 4.846 25.194 45.088 1.00 80.94 ? 46 LEU y OXT 1 +ATOM 48014 N N . MET KA 19 1 ? 39.628 -90.080 -89.041 1.00 90.86 ? 1 MET Z N 1 +ATOM 48015 C CA . MET KA 19 1 ? 40.637 -89.623 -88.087 1.00 111.37 ? 1 MET Z CA 1 +ATOM 48016 C C . MET KA 19 1 ? 40.015 -88.764 -86.988 1.00 108.03 ? 1 MET Z C 1 +ATOM 48017 O O . MET KA 19 1 ? 40.350 -88.911 -85.808 1.00 85.10 ? 1 MET Z O 1 +ATOM 48018 C CB . MET KA 19 1 ? 41.736 -88.842 -88.804 1.00 103.16 ? 1 MET Z CB 1 +ATOM 48019 C CG . MET KA 19 1 ? 42.772 -88.234 -87.876 1.00 78.13 ? 1 MET Z CG 1 +ATOM 48020 S SD . MET KA 19 1 ? 43.816 -89.490 -87.119 1.00 120.18 ? 1 MET Z SD 1 +ATOM 48021 C CE . MET KA 19 1 ? 44.928 -89.905 -88.460 1.00 94.65 ? 1 MET Z CE 1 +ATOM 48022 N N . THR KA 19 2 ? 39.106 -87.867 -87.389 1.00 82.57 ? 2 THR Z N 1 +ATOM 48023 C CA . THR KA 19 2 ? 38.341 -87.090 -86.418 1.00 92.33 ? 2 THR Z CA 1 +ATOM 48024 C C . THR KA 19 2 ? 37.651 -87.987 -85.401 1.00 77.57 ? 2 THR Z C 1 +ATOM 48025 O O . THR KA 19 2 ? 37.545 -87.626 -84.225 1.00 107.26 ? 2 THR Z O 1 +ATOM 48026 C CB . THR KA 19 2 ? 37.314 -86.207 -87.138 1.00 104.57 ? 2 THR Z CB 1 +ATOM 48027 O OG1 . THR KA 19 2 ? 37.996 -85.263 -87.971 1.00 100.39 ? 2 THR Z OG1 1 +ATOM 48028 C CG2 . THR KA 19 2 ? 36.450 -85.441 -86.145 1.00 101.89 ? 2 THR Z CG2 1 +ATOM 48029 N N . ILE KA 19 3 ? 37.213 -89.175 -85.821 1.00 116.67 ? 3 ILE Z N 1 +ATOM 48030 C CA . ILE KA 19 3 ? 36.556 -90.097 -84.898 1.00 105.21 ? 3 ILE Z CA 1 +ATOM 48031 C C . ILE KA 19 3 ? 37.561 -90.681 -83.909 1.00 107.57 ? 3 ILE Z C 1 +ATOM 48032 O O . ILE KA 19 3 ? 37.263 -90.815 -82.716 1.00 110.23 ? 3 ILE Z O 1 +ATOM 48033 C CB . ILE KA 19 3 ? 35.801 -91.186 -85.688 1.00 115.25 ? 3 ILE Z CB 1 +ATOM 48034 C CG1 . ILE KA 19 3 ? 34.290 -90.987 -85.542 1.00 113.81 ? 3 ILE Z CG1 1 +ATOM 48035 C CG2 . ILE KA 19 3 ? 36.217 -92.594 -85.269 1.00 127.65 ? 3 ILE Z CG2 1 +ATOM 48036 C CD1 . ILE KA 19 3 ? 33.808 -89.625 -86.002 1.00 118.44 ? 3 ILE Z CD1 1 +ATOM 48037 N N . LEU KA 19 4 ? 38.770 -91.014 -84.377 1.00 94.06 ? 4 LEU Z N 1 +ATOM 48038 C CA . LEU KA 19 4 ? 39.818 -91.491 -83.474 1.00 92.12 ? 4 LEU Z CA 1 +ATOM 48039 C C . LEU KA 19 4 ? 40.116 -90.453 -82.390 1.00 103.59 ? 4 LEU Z C 1 +ATOM 48040 O O . LEU KA 19 4 ? 40.186 -90.776 -81.195 1.00 76.83 ? 4 LEU Z O 1 +ATOM 48041 C CB . LEU KA 19 4 ? 41.081 -91.811 -84.278 1.00 94.10 ? 4 LEU Z CB 1 +ATOM 48042 C CG . LEU KA 19 4 ? 42.110 -92.855 -83.836 1.00 91.35 ? 4 LEU Z CG 1 +ATOM 48043 C CD1 . LEU KA 19 4 ? 43.216 -92.930 -84.875 1.00 106.46 ? 4 LEU Z CD1 1 +ATOM 48044 C CD2 . LEU KA 19 4 ? 42.702 -92.559 -82.470 1.00 108.33 ? 4 LEU Z CD2 1 +ATOM 48045 N N . PHE KA 19 5 ? 40.290 -89.195 -82.800 1.00 92.85 ? 5 PHE Z N 1 +ATOM 48046 C CA . PHE KA 19 5 ? 40.567 -88.121 -81.854 1.00 90.49 ? 5 PHE Z CA 1 +ATOM 48047 C C . PHE KA 19 5 ? 39.440 -87.981 -80.838 1.00 94.27 ? 5 PHE Z C 1 +ATOM 48048 O O . PHE KA 19 5 ? 39.683 -87.950 -79.625 1.00 79.85 ? 5 PHE Z O 1 +ATOM 48049 C CB . PHE KA 19 5 ? 40.784 -86.811 -82.613 1.00 80.78 ? 5 PHE Z CB 1 +ATOM 48050 C CG . PHE KA 19 5 ? 40.600 -85.581 -81.770 1.00 80.49 ? 5 PHE Z CG 1 +ATOM 48051 C CD1 . PHE KA 19 5 ? 41.652 -85.071 -81.028 1.00 85.86 ? 5 PHE Z CD1 1 +ATOM 48052 C CD2 . PHE KA 19 5 ? 39.377 -84.929 -81.731 1.00 81.10 ? 5 PHE Z CD2 1 +ATOM 48053 C CE1 . PHE KA 19 5 ? 41.490 -83.938 -80.257 1.00 77.69 ? 5 PHE Z CE1 1 +ATOM 48054 C CE2 . PHE KA 19 5 ? 39.205 -83.797 -80.959 1.00 91.10 ? 5 PHE Z CE2 1 +ATOM 48055 C CZ . PHE KA 19 5 ? 40.264 -83.300 -80.225 1.00 74.37 ? 5 PHE Z CZ 1 +ATOM 48056 N N . GLN KA 19 6 ? 38.194 -87.907 -81.317 1.00 93.00 ? 6 GLN Z N 1 +ATOM 48057 C CA . GLN KA 19 6 ? 37.064 -87.750 -80.406 1.00 83.03 ? 6 GLN Z CA 1 +ATOM 48058 C C . GLN KA 19 6 ? 36.919 -88.944 -79.474 1.00 97.86 ? 6 GLN Z C 1 +ATOM 48059 O O . GLN KA 19 6 ? 36.475 -88.783 -78.329 1.00 82.36 ? 6 GLN Z O 1 +ATOM 48060 C CB . GLN KA 19 6 ? 35.780 -87.523 -81.202 1.00 89.84 ? 6 GLN Z CB 1 +ATOM 48061 C CG . GLN KA 19 6 ? 35.666 -86.098 -81.736 1.00 108.67 ? 6 GLN Z CG 1 +ATOM 48062 C CD . GLN KA 19 6 ? 34.471 -85.891 -82.652 1.00 123.85 ? 6 GLN Z CD 1 +ATOM 48063 O OE1 . GLN KA 19 6 ? 33.772 -86.844 -83.019 1.00 116.80 ? 6 GLN Z OE1 1 +ATOM 48064 N NE2 . GLN KA 19 6 ? 34.236 -84.636 -83.036 1.00 108.78 ? 6 GLN Z NE2 1 +ATOM 48065 N N . LEU KA 19 7 ? 37.298 -90.140 -79.935 1.00 82.37 ? 7 LEU Z N 1 +ATOM 48066 C CA . LEU KA 19 7 ? 37.266 -91.312 -79.066 1.00 93.59 ? 7 LEU Z CA 1 +ATOM 48067 C C . LEU KA 19 7 ? 38.343 -91.236 -77.992 1.00 80.80 ? 7 LEU Z C 1 +ATOM 48068 O O . LEU KA 19 7 ? 38.083 -91.529 -76.822 1.00 74.14 ? 7 LEU Z O 1 +ATOM 48069 C CB . LEU KA 19 7 ? 37.429 -92.591 -79.889 1.00 102.37 ? 7 LEU Z CB 1 +ATOM 48070 C CG . LEU KA 19 7 ? 36.185 -93.092 -80.624 1.00 116.45 ? 7 LEU Z CG 1 +ATOM 48071 C CD1 . LEU KA 19 7 ? 36.398 -94.514 -81.131 1.00 112.21 ? 7 LEU Z CD1 1 +ATOM 48072 C CD2 . LEU KA 19 7 ? 34.967 -93.007 -79.709 1.00 107.23 ? 7 LEU Z CD2 1 +ATOM 48073 N N . ALA KA 19 8 ? 39.572 -90.881 -78.381 1.00 82.12 ? 8 ALA Z N 1 +ATOM 48074 C CA . ALA KA 19 8 ? 40.641 -90.725 -77.400 1.00 80.47 ? 8 ALA Z CA 1 +ATOM 48075 C C . ALA KA 19 8 ? 40.255 -89.698 -76.338 1.00 93.94 ? 8 ALA Z C 1 +ATOM 48076 O O . ALA KA 19 8 ? 40.473 -89.917 -75.137 1.00 74.55 ? 8 ALA Z O 1 +ATOM 48077 C CB . ALA KA 19 8 ? 41.944 -90.320 -78.096 1.00 64.23 ? 8 ALA Z CB 1 +ATOM 48078 N N . LEU KA 19 9 ? 39.647 -88.585 -76.764 1.00 76.30 ? 9 LEU Z N 1 +ATOM 48079 C CA . LEU KA 19 9 ? 39.286 -87.529 -75.828 1.00 74.72 ? 9 LEU Z CA 1 +ATOM 48080 C C . LEU KA 19 9 ? 38.186 -87.988 -74.878 1.00 76.50 ? 9 LEU Z C 1 +ATOM 48081 O O . LEU KA 19 9 ? 38.277 -87.766 -73.667 1.00 84.20 ? 9 LEU Z O 1 +ATOM 48082 C CB . LEU KA 19 9 ? 38.875 -86.266 -76.587 1.00 72.74 ? 9 LEU Z CB 1 +ATOM 48083 C CG . LEU KA 19 9 ? 38.730 -84.965 -75.781 1.00 88.69 ? 9 LEU Z CG 1 +ATOM 48084 C CD1 . LEU KA 19 9 ? 39.831 -84.813 -74.714 1.00 75.28 ? 9 LEU Z CD1 1 +ATOM 48085 C CD2 . LEU KA 19 9 ? 38.729 -83.755 -76.719 1.00 82.18 ? 9 LEU Z CD2 1 +ATOM 48086 N N . ALA KA 19 10 ? 37.152 -88.654 -75.389 1.00 77.84 ? 10 ALA Z N 1 +ATOM 48087 C CA . ALA KA 19 10 ? 36.152 -89.199 -74.478 1.00 82.69 ? 10 ALA Z CA 1 +ATOM 48088 C C . ALA KA 19 10 ? 36.747 -90.263 -73.553 1.00 90.72 ? 10 ALA Z C 1 +ATOM 48089 O O . ALA KA 19 10 ? 36.325 -90.380 -72.395 1.00 79.01 ? 10 ALA Z O 1 +ATOM 48090 C CB . ALA KA 19 10 ? 34.967 -89.761 -75.261 1.00 74.52 ? 10 ALA Z CB 1 +ATOM 48091 N N . ALA KA 19 11 ? 37.724 -91.038 -74.033 1.00 70.41 ? 11 ALA Z N 1 +ATOM 48092 C CA . ALA KA 19 11 ? 38.419 -91.963 -73.142 1.00 78.14 ? 11 ALA Z CA 1 +ATOM 48093 C C . ALA KA 19 11 ? 39.095 -91.206 -72.009 1.00 77.00 ? 11 ALA Z C 1 +ATOM 48094 O O . ALA KA 19 11 ? 39.041 -91.624 -70.845 1.00 79.71 ? 11 ALA Z O 1 +ATOM 48095 C CB . ALA KA 19 11 ? 39.448 -92.788 -73.923 1.00 72.81 ? 11 ALA Z CB 1 +ATOM 48096 N N . LEU KA 19 12 ? 39.726 -90.074 -72.336 1.00 83.37 ? 12 LEU Z N 1 +ATOM 48097 C CA . LEU KA 19 12 ? 40.389 -89.265 -71.321 1.00 77.57 ? 12 LEU Z CA 1 +ATOM 48098 C C . LEU KA 19 12 ? 39.382 -88.732 -70.306 1.00 72.37 ? 12 LEU Z C 1 +ATOM 48099 O O . LEU KA 19 12 ? 39.638 -88.740 -69.096 1.00 65.60 ? 12 LEU Z O 1 +ATOM 48100 C CB . LEU KA 19 12 ? 41.153 -88.128 -71.997 1.00 70.81 ? 12 LEU Z CB 1 +ATOM 48101 C CG . LEU KA 19 12 ? 41.905 -87.152 -71.095 1.00 68.96 ? 12 LEU Z CG 1 +ATOM 48102 C CD1 . LEU KA 19 12 ? 42.939 -87.887 -70.270 1.00 58.99 ? 12 LEU Z CD1 1 +ATOM 48103 C CD2 . LEU KA 19 12 ? 42.543 -86.022 -71.935 1.00 68.21 ? 12 LEU Z CD2 1 +ATOM 48104 N N . VAL KA 19 13 ? 38.220 -88.285 -70.781 1.00 65.95 ? 13 VAL Z N 1 +ATOM 48105 C CA . VAL KA 19 13 ? 37.190 -87.798 -69.873 1.00 75.34 ? 13 VAL Z CA 1 +ATOM 48106 C C . VAL KA 19 13 ? 36.724 -88.923 -68.965 1.00 79.46 ? 13 VAL Z C 1 +ATOM 48107 O O . VAL KA 19 13 ? 36.630 -88.766 -67.740 1.00 76.45 ? 13 VAL Z O 1 +ATOM 48108 C CB . VAL KA 19 13 ? 36.028 -87.185 -70.673 1.00 76.81 ? 13 VAL Z CB 1 +ATOM 48109 C CG1 . VAL KA 19 13 ? 34.797 -87.023 -69.803 1.00 71.90 ? 13 VAL Z CG1 1 +ATOM 48110 C CG2 . VAL KA 19 13 ? 36.456 -85.853 -71.251 1.00 67.74 ? 13 VAL Z CG2 1 +ATOM 48111 N N . ILE KA 19 14 ? 36.442 -90.082 -69.559 1.00 90.09 ? 14 ILE Z N 1 +ATOM 48112 C CA . ILE KA 19 14 ? 35.978 -91.236 -68.795 1.00 83.45 ? 14 ILE Z CA 1 +ATOM 48113 C C . ILE KA 19 14 ? 37.015 -91.635 -67.752 1.00 81.19 ? 14 ILE Z C 1 +ATOM 48114 O O . ILE KA 19 14 ? 36.703 -91.791 -66.563 1.00 68.18 ? 14 ILE Z O 1 +ATOM 48115 C CB . ILE KA 19 14 ? 35.647 -92.394 -69.753 1.00 81.11 ? 14 ILE Z CB 1 +ATOM 48116 C CG1 . ILE KA 19 14 ? 34.379 -92.052 -70.541 1.00 79.83 ? 14 ILE Z CG1 1 +ATOM 48117 C CG2 . ILE KA 19 14 ? 35.523 -93.709 -68.995 1.00 72.87 ? 14 ILE Z CG2 1 +ATOM 48118 C CD1 . ILE KA 19 14 ? 33.966 -93.100 -71.540 1.00 81.66 ? 14 ILE Z CD1 1 +ATOM 48119 N N . LEU KA 19 15 ? 38.268 -91.795 -68.183 1.00 73.22 ? 15 LEU Z N 1 +ATOM 48120 C CA . LEU KA 19 15 ? 39.325 -92.157 -67.245 1.00 78.95 ? 15 LEU Z CA 1 +ATOM 48121 C C . LEU KA 19 15 ? 39.467 -91.111 -66.138 1.00 84.05 ? 15 LEU Z C 1 +ATOM 48122 O O . LEU KA 19 15 ? 39.678 -91.455 -64.965 1.00 77.77 ? 15 LEU Z O 1 +ATOM 48123 C CB . LEU KA 19 15 ? 40.641 -92.337 -68.000 1.00 79.82 ? 15 LEU Z CB 1 +ATOM 48124 C CG . LEU KA 19 15 ? 41.843 -92.681 -67.119 1.00 76.68 ? 15 LEU Z CG 1 +ATOM 48125 C CD1 . LEU KA 19 15 ? 41.619 -93.993 -66.406 1.00 70.71 ? 15 LEU Z CD1 1 +ATOM 48126 C CD2 . LEU KA 19 15 ? 43.109 -92.719 -67.951 1.00 72.53 ? 15 LEU Z CD2 1 +ATOM 48127 N N . SER KA 19 16 ? 39.346 -89.826 -66.489 1.00 76.45 ? 16 SER Z N 1 +ATOM 48128 C CA . SER KA 19 16 ? 39.446 -88.778 -65.474 1.00 73.70 ? 16 SER Z CA 1 +ATOM 48129 C C . SER KA 19 16 ? 38.352 -88.923 -64.428 1.00 67.50 ? 16 SER Z C 1 +ATOM 48130 O O . SER KA 19 16 ? 38.614 -88.815 -63.225 1.00 66.55 ? 16 SER Z O 1 +ATOM 48131 C CB . SER KA 19 16 ? 39.379 -87.399 -66.129 1.00 62.73 ? 16 SER Z CB 1 +ATOM 48132 O OG . SER KA 19 16 ? 40.493 -87.197 -66.973 1.00 69.37 ? 16 SER Z OG 1 +ATOM 48133 N N . PHE KA 19 17 ? 37.123 -89.184 -64.869 1.00 70.19 ? 17 PHE Z N 1 +ATOM 48134 C CA . PHE KA 19 17 ? 36.013 -89.325 -63.937 1.00 71.19 ? 17 PHE Z CA 1 +ATOM 48135 C C . PHE KA 19 17 ? 36.244 -90.493 -62.987 1.00 87.61 ? 17 PHE Z C 1 +ATOM 48136 O O . PHE KA 19 17 ? 35.917 -90.409 -61.794 1.00 90.13 ? 17 PHE Z O 1 +ATOM 48137 C CB . PHE KA 19 17 ? 34.714 -89.504 -64.717 1.00 78.84 ? 17 PHE Z CB 1 +ATOM 48138 C CG . PHE KA 19 17 ? 33.480 -89.240 -63.913 1.00 85.32 ? 17 PHE Z CG 1 +ATOM 48139 C CD1 . PHE KA 19 17 ? 33.003 -87.948 -63.765 1.00 89.80 ? 17 PHE Z CD1 1 +ATOM 48140 C CD2 . PHE KA 19 17 ? 32.788 -90.283 -63.314 1.00 91.77 ? 17 PHE Z CD2 1 +ATOM 48141 C CE1 . PHE KA 19 17 ? 31.856 -87.696 -63.025 1.00 97.98 ? 17 PHE Z CE1 1 +ATOM 48142 C CE2 . PHE KA 19 17 ? 31.638 -90.042 -62.577 1.00 90.63 ? 17 PHE Z CE2 1 +ATOM 48143 C CZ . PHE KA 19 17 ? 31.173 -88.744 -62.433 1.00 94.86 ? 17 PHE Z CZ 1 +ATOM 48144 N N . VAL KA 19 18 ? 36.838 -91.582 -63.491 1.00 84.05 ? 18 VAL Z N 1 +ATOM 48145 C CA . VAL KA 19 18 ? 37.137 -92.737 -62.645 1.00 92.79 ? 18 VAL Z CA 1 +ATOM 48146 C C . VAL KA 19 18 ? 38.235 -92.404 -61.640 1.00 66.55 ? 18 VAL Z C 1 +ATOM 48147 O O . VAL KA 19 18 ? 38.152 -92.785 -60.465 1.00 69.59 ? 18 VAL Z O 1 +ATOM 48148 C CB . VAL KA 19 18 ? 37.520 -93.953 -63.519 1.00 76.98 ? 18 VAL Z CB 1 +ATOM 48149 C CG1 . VAL KA 19 18 ? 37.971 -95.102 -62.656 1.00 73.88 ? 18 VAL Z CG1 1 +ATOM 48150 C CG2 . VAL KA 19 18 ? 36.354 -94.377 -64.393 1.00 77.41 ? 18 VAL Z CG2 1 +ATOM 48151 N N . MET KA 19 19 ? 39.292 -91.720 -62.091 1.00 72.80 ? 19 MET Z N 1 +ATOM 48152 C CA . MET KA 19 19 ? 40.386 -91.350 -61.192 1.00 71.04 ? 19 MET Z CA 1 +ATOM 48153 C C . MET KA 19 19 ? 39.924 -90.386 -60.106 1.00 81.48 ? 19 MET Z C 1 +ATOM 48154 O O . MET KA 19 19 ? 40.415 -90.443 -58.969 1.00 74.50 ? 19 MET Z O 1 +ATOM 48155 C CB . MET KA 19 19 ? 41.539 -90.721 -61.982 1.00 75.73 ? 19 MET Z CB 1 +ATOM 48156 C CG . MET KA 19 19 ? 42.230 -91.669 -62.975 1.00 76.67 ? 19 MET Z CG 1 +ATOM 48157 S SD . MET KA 19 19 ? 43.334 -92.808 -62.116 1.00 91.54 ? 19 MET Z SD 1 +ATOM 48158 C CE . MET KA 19 19 ? 44.892 -91.932 -62.162 1.00 70.14 ? 19 MET Z CE 1 +ATOM 48159 N N . VAL KA 19 20 ? 38.988 -89.493 -60.441 1.00 76.41 ? 20 VAL Z N 1 +ATOM 48160 C CA . VAL KA 19 20 ? 38.521 -88.487 -59.491 1.00 75.59 ? 20 VAL Z CA 1 +ATOM 48161 C C . VAL KA 19 20 ? 37.797 -89.148 -58.323 1.00 71.61 ? 20 VAL Z C 1 +ATOM 48162 O O . VAL KA 19 20 ? 37.930 -88.721 -57.168 1.00 75.72 ? 20 VAL Z O 1 +ATOM 48163 C CB . VAL KA 19 20 ? 37.642 -87.454 -60.228 1.00 70.38 ? 20 VAL Z CB 1 +ATOM 48164 C CG1 . VAL KA 19 20 ? 36.572 -86.871 -59.316 1.00 70.59 ? 20 VAL Z CG1 1 +ATOM 48165 C CG2 . VAL KA 19 20 ? 38.509 -86.354 -60.793 1.00 60.79 ? 20 VAL Z CG2 1 +ATOM 48166 N N . ILE KA 19 21 ? 37.047 -90.216 -58.594 1.00 80.30 ? 21 ILE Z N 1 +ATOM 48167 C CA . ILE KA 19 21 ? 36.402 -90.951 -57.510 1.00 76.20 ? 21 ILE Z CA 1 +ATOM 48168 C C . ILE KA 19 21 ? 37.350 -91.972 -56.889 1.00 72.16 ? 21 ILE Z C 1 +ATOM 48169 O O . ILE KA 19 21 ? 37.291 -92.223 -55.682 1.00 79.20 ? 21 ILE Z O 1 +ATOM 48170 C CB . ILE KA 19 21 ? 35.115 -91.624 -58.016 1.00 82.71 ? 21 ILE Z CB 1 +ATOM 48171 C CG1 . ILE KA 19 21 ? 34.088 -90.573 -58.434 1.00 76.86 ? 21 ILE Z CG1 1 +ATOM 48172 C CG2 . ILE KA 19 21 ? 34.527 -92.543 -56.955 1.00 78.66 ? 21 ILE Z CG2 1 +ATOM 48173 C CD1 . ILE KA 19 21 ? 32.829 -91.171 -59.023 1.00 80.08 ? 21 ILE Z CD1 1 +ATOM 48174 N N . GLY KA 19 22 ? 38.250 -92.549 -57.672 1.00 71.30 ? 22 GLY Z N 1 +ATOM 48175 C CA . GLY KA 19 22 ? 39.040 -93.670 -57.190 1.00 69.63 ? 22 GLY Z CA 1 +ATOM 48176 C C . GLY KA 19 22 ? 40.235 -93.342 -56.318 1.00 70.33 ? 22 GLY Z C 1 +ATOM 48177 O O . GLY KA 19 22 ? 40.470 -94.011 -55.309 1.00 67.92 ? 22 GLY Z O 1 +ATOM 48178 N N . VAL KA 19 23 ? 41.013 -92.332 -56.704 1.00 63.90 ? 23 VAL Z N 1 +ATOM 48179 C CA . VAL KA 19 23 ? 42.207 -91.985 -55.934 1.00 72.06 ? 23 VAL Z CA 1 +ATOM 48180 C C . VAL KA 19 23 ? 41.870 -91.592 -54.500 1.00 71.44 ? 23 VAL Z C 1 +ATOM 48181 O O . VAL KA 19 23 ? 42.537 -92.088 -53.578 1.00 80.24 ? 23 VAL Z O 1 +ATOM 48182 C CB . VAL KA 19 23 ? 43.025 -90.914 -56.674 1.00 73.10 ? 23 VAL Z CB 1 +ATOM 48183 C CG1 . VAL KA 19 23 ? 44.286 -90.578 -55.900 1.00 79.17 ? 23 VAL Z CG1 1 +ATOM 48184 C CG2 . VAL KA 19 23 ? 43.387 -91.392 -58.063 1.00 66.18 ? 23 VAL Z CG2 1 +ATOM 48185 N N . PRO KA 19 24 ? 40.873 -90.735 -54.230 1.00 93.76 ? 24 PRO Z N 1 +ATOM 48186 C CA . PRO KA 19 24 ? 40.554 -90.455 -52.815 1.00 103.87 ? 24 PRO Z CA 1 +ATOM 48187 C C . PRO KA 19 24 ? 40.067 -91.676 -52.051 1.00 83.84 ? 24 PRO Z C 1 +ATOM 48188 O O . PRO KA 19 24 ? 40.489 -91.892 -50.907 1.00 76.76 ? 24 PRO Z O 1 +ATOM 48189 C CB . PRO KA 19 24 ? 39.472 -89.362 -52.903 1.00 75.85 ? 24 PRO Z CB 1 +ATOM 48190 C CG . PRO KA 19 24 ? 38.926 -89.457 -54.271 1.00 70.05 ? 24 PRO Z CG 1 +ATOM 48191 C CD . PRO KA 19 24 ? 40.089 -89.865 -55.129 1.00 84.55 ? 24 PRO Z CD 1 +ATOM 48192 N N . VAL KA 19 25 ? 39.175 -92.472 -52.649 1.00 77.57 ? 25 VAL Z N 1 +ATOM 48193 C CA . VAL KA 19 25 ? 38.655 -93.654 -51.967 1.00 85.71 ? 25 VAL Z CA 1 +ATOM 48194 C C . VAL KA 19 25 ? 39.786 -94.626 -51.657 1.00 77.91 ? 25 VAL Z C 1 +ATOM 48195 O O . VAL KA 19 25 ? 39.848 -95.207 -50.566 1.00 80.58 ? 25 VAL Z O 1 +ATOM 48196 C CB . VAL KA 19 25 ? 37.548 -94.315 -52.810 1.00 78.72 ? 25 VAL Z CB 1 +ATOM 48197 C CG1 . VAL KA 19 25 ? 37.073 -95.579 -52.143 1.00 78.40 ? 25 VAL Z CG1 1 +ATOM 48198 C CG2 . VAL KA 19 25 ? 36.374 -93.359 -52.990 1.00 75.35 ? 25 VAL Z CG2 1 +ATOM 48199 N N . ALA KA 19 26 ? 40.712 -94.793 -52.601 1.00 73.94 ? 26 ALA Z N 1 +ATOM 48200 C CA . ALA KA 19 26 ? 41.861 -95.660 -52.379 1.00 77.56 ? 26 ALA Z CA 1 +ATOM 48201 C C . ALA KA 19 26 ? 42.792 -95.083 -51.321 1.00 76.21 ? 26 ALA Z C 1 +ATOM 48202 O O . ALA KA 19 26 ? 43.220 -95.795 -50.408 1.00 80.94 ? 26 ALA Z O 1 +ATOM 48203 C CB . ALA KA 19 26 ? 42.615 -95.883 -53.691 1.00 68.01 ? 26 ALA Z CB 1 +ATOM 48204 N N . TYR KA 19 27 ? 43.125 -93.794 -51.433 1.00 77.00 ? 27 TYR Z N 1 +ATOM 48205 C CA . TYR KA 19 27 ? 44.074 -93.187 -50.504 1.00 77.74 ? 27 TYR Z CA 1 +ATOM 48206 C C . TYR KA 19 27 ? 43.596 -93.265 -49.056 1.00 87.28 ? 27 TYR Z C 1 +ATOM 48207 O O . TYR KA 19 27 ? 44.418 -93.342 -48.136 1.00 78.46 ? 27 TYR Z O 1 +ATOM 48208 C CB . TYR KA 19 27 ? 44.315 -91.729 -50.882 1.00 82.45 ? 27 TYR Z CB 1 +ATOM 48209 C CG . TYR KA 19 27 ? 45.436 -91.489 -51.865 1.00 93.52 ? 27 TYR Z CG 1 +ATOM 48210 C CD1 . TYR KA 19 27 ? 46.318 -92.500 -52.224 1.00 83.10 ? 27 TYR Z CD1 1 +ATOM 48211 C CD2 . TYR KA 19 27 ? 45.620 -90.230 -52.420 1.00 73.08 ? 27 TYR Z CD2 1 +ATOM 48212 C CE1 . TYR KA 19 27 ? 47.354 -92.257 -53.125 1.00 90.73 ? 27 TYR Z CE1 1 +ATOM 48213 C CE2 . TYR KA 19 27 ? 46.644 -89.977 -53.311 1.00 83.00 ? 27 TYR Z CE2 1 +ATOM 48214 C CZ . TYR KA 19 27 ? 47.508 -90.988 -53.666 1.00 89.86 ? 27 TYR Z CZ 1 +ATOM 48215 O OH . TYR KA 19 27 ? 48.520 -90.707 -54.563 1.00 87.27 ? 27 TYR Z OH 1 +ATOM 48216 N N . ALA KA 19 28 ? 42.281 -93.228 -48.833 1.00 73.25 ? 28 ALA Z N 1 +ATOM 48217 C CA . ALA KA 19 28 ? 41.706 -93.230 -47.497 1.00 80.96 ? 28 ALA Z CA 1 +ATOM 48218 C C . ALA KA 19 28 ? 41.283 -94.617 -47.046 1.00 82.94 ? 28 ALA Z C 1 +ATOM 48219 O O . ALA KA 19 28 ? 40.706 -94.754 -45.961 1.00 81.06 ? 28 ALA Z O 1 +ATOM 48220 C CB . ALA KA 19 28 ? 40.508 -92.275 -47.434 1.00 81.45 ? 28 ALA Z CB 1 +ATOM 48221 N N . SER KA 19 29 ? 41.539 -95.640 -47.859 1.00 88.32 ? 29 SER Z N 1 +ATOM 48222 C CA . SER KA 19 29 ? 41.297 -97.029 -47.481 1.00 106.46 ? 29 SER Z CA 1 +ATOM 48223 C C . SER KA 19 29 ? 42.615 -97.779 -47.391 1.00 101.91 ? 29 SER Z C 1 +ATOM 48224 O O . SER KA 19 29 ? 43.214 -98.103 -48.427 1.00 110.44 ? 29 SER Z O 1 +ATOM 48225 C CB . SER KA 19 29 ? 40.370 -97.713 -48.489 1.00 86.28 ? 29 SER Z CB 1 +ATOM 48226 O OG . SER KA 19 29 ? 39.015 -97.539 -48.130 1.00 101.96 ? 29 SER Z OG 1 +ATOM 48227 N N . PRO KA 19 30 ? 43.122 -98.058 -46.189 1.00 112.75 ? 30 PRO Z N 1 +ATOM 48228 C CA . PRO KA 19 30 ? 44.148 -99.108 -46.060 1.00 141.68 ? 30 PRO Z CA 1 +ATOM 48229 C C . PRO KA 19 30 ? 43.626 -100.484 -46.439 1.00 141.56 ? 30 PRO Z C 1 +ATOM 48230 O O . PRO KA 19 30 ? 44.426 -101.369 -46.774 1.00 129.93 ? 30 PRO Z O 1 +ATOM 48231 C CB . PRO KA 19 30 ? 44.539 -99.040 -44.578 1.00 149.17 ? 30 PRO Z CB 1 +ATOM 48232 C CG . PRO KA 19 30 ? 44.164 -97.645 -44.154 1.00 136.76 ? 30 PRO Z CG 1 +ATOM 48233 C CD . PRO KA 19 30 ? 42.919 -97.323 -44.931 1.00 114.02 ? 30 PRO Z CD 1 +ATOM 48234 N N . GLN KA 19 31 ? 42.305 -100.683 -46.400 1.00 163.43 ? 31 GLN Z N 1 +ATOM 48235 C CA . GLN KA 19 31 ? 41.655 -101.884 -46.911 1.00 162.10 ? 31 GLN Z CA 1 +ATOM 48236 C C . GLN KA 19 31 ? 42.078 -102.130 -48.353 1.00 162.19 ? 31 GLN Z C 1 +ATOM 48237 O O . GLN KA 19 31 ? 41.486 -101.578 -49.290 1.00 152.13 ? 31 GLN Z O 1 +ATOM 48238 C CB . GLN KA 19 31 ? 40.128 -101.767 -46.813 1.00 150.11 ? 31 GLN Z CB 1 +ATOM 48239 C CG . GLN KA 19 31 ? 39.614 -100.439 -46.258 1.00 154.10 ? 31 GLN Z CG 1 +ATOM 48240 C CD . GLN KA 19 31 ? 39.870 -100.278 -44.765 1.00 170.11 ? 31 GLN Z CD 1 +ATOM 48241 O OE1 . GLN KA 19 31 ? 40.267 -99.206 -44.301 1.00 153.64 ? 31 GLN Z OE1 1 +ATOM 48242 N NE2 . GLN KA 19 31 ? 39.646 -101.348 -44.006 1.00 190.79 ? 31 GLN Z NE2 1 +ATOM 48243 N N . ASP KA 19 32 ? 43.112 -102.954 -48.525 1.00 158.87 ? 32 ASP Z N 1 +ATOM 48244 C CA . ASP KA 19 32 ? 43.716 -103.238 -49.821 1.00 172.54 ? 32 ASP Z CA 1 +ATOM 48245 C C . ASP KA 19 32 ? 44.332 -101.977 -50.420 1.00 158.13 ? 32 ASP Z C 1 +ATOM 48246 O O . ASP KA 19 32 ? 43.750 -101.349 -51.311 1.00 154.40 ? 32 ASP Z O 1 +ATOM 48247 C CB . ASP KA 19 32 ? 42.693 -103.857 -50.780 1.00 162.48 ? 32 ASP Z CB 1 +ATOM 48248 C CG . ASP KA 19 32 ? 43.330 -104.378 -52.049 1.00 162.34 ? 32 ASP Z CG 1 +ATOM 48249 O OD1 . ASP KA 19 32 ? 43.954 -105.461 -52.008 1.00 159.31 ? 32 ASP Z OD1 1 +ATOM 48250 O OD2 . ASP KA 19 32 ? 43.212 -103.698 -53.086 1.00 171.43 ? 32 ASP Z OD2 1 +ATOM 48251 N N . TRP KA 19 33 ? 45.508 -101.598 -49.917 1.00 134.25 ? 33 TRP Z N 1 +ATOM 48252 C CA . TRP KA 19 33 ? 46.295 -100.525 -50.507 1.00 120.39 ? 33 TRP Z CA 1 +ATOM 48253 C C . TRP KA 19 33 ? 47.292 -101.026 -51.546 1.00 125.74 ? 33 TRP Z C 1 +ATOM 48254 O O . TRP KA 19 33 ? 47.728 -100.244 -52.398 1.00 116.82 ? 33 TRP Z O 1 +ATOM 48255 C CB . TRP KA 19 33 ? 47.037 -99.748 -49.411 1.00 113.43 ? 33 TRP Z CB 1 +ATOM 48256 C CG . TRP KA 19 33 ? 48.094 -98.834 -49.950 1.00 126.31 ? 33 TRP Z CG 1 +ATOM 48257 C CD1 . TRP KA 19 33 ? 49.443 -98.941 -49.772 1.00 129.57 ? 33 TRP Z CD1 1 +ATOM 48258 C CD2 . TRP KA 19 33 ? 47.891 -97.692 -50.791 1.00 125.30 ? 33 TRP Z CD2 1 +ATOM 48259 N NE1 . TRP KA 19 33 ? 50.091 -97.926 -50.436 1.00 125.76 ? 33 TRP Z NE1 1 +ATOM 48260 C CE2 . TRP KA 19 33 ? 49.160 -97.148 -51.071 1.00 106.00 ? 33 TRP Z CE2 1 +ATOM 48261 C CE3 . TRP KA 19 33 ? 46.759 -97.074 -51.331 1.00 113.82 ? 33 TRP Z CE3 1 +ATOM 48262 C CZ2 . TRP KA 19 33 ? 49.327 -96.021 -51.865 1.00 106.04 ? 33 TRP Z CZ2 1 +ATOM 48263 C CZ3 . TRP KA 19 33 ? 46.929 -95.955 -52.120 1.00 101.63 ? 33 TRP Z CZ3 1 +ATOM 48264 C CH2 . TRP KA 19 33 ? 48.202 -95.441 -52.381 1.00 110.21 ? 33 TRP Z CH2 1 +ATOM 48265 N N . ASP KA 19 34 ? 47.645 -102.313 -51.515 1.00 136.90 ? 34 ASP Z N 1 +ATOM 48266 C CA . ASP KA 19 34 ? 48.633 -102.827 -52.460 1.00 130.61 ? 34 ASP Z CA 1 +ATOM 48267 C C . ASP KA 19 34 ? 48.078 -102.865 -53.879 1.00 130.61 ? 34 ASP Z C 1 +ATOM 48268 O O . ASP KA 19 34 ? 48.695 -102.326 -54.806 1.00 125.51 ? 34 ASP Z O 1 +ATOM 48269 C CB . ASP KA 19 34 ? 49.115 -104.208 -52.023 1.00 146.33 ? 34 ASP Z CB 1 +ATOM 48270 C CG . ASP KA 19 34 ? 50.240 -104.131 -51.006 1.00 165.06 ? 34 ASP Z CG 1 +ATOM 48271 O OD1 . ASP KA 19 34 ? 50.552 -103.005 -50.551 1.00 153.88 ? 34 ASP Z OD1 1 +ATOM 48272 O OD2 . ASP KA 19 34 ? 50.819 -105.188 -50.672 1.00 179.57 ? 34 ASP Z OD2 1 +ATOM 48273 N N . ARG KA 19 35 ? 46.916 -103.497 -54.075 1.00 108.82 ? 35 ARG Z N 1 +ATOM 48274 C CA . ARG KA 19 35 ? 46.307 -103.460 -55.401 1.00 121.27 ? 35 ARG Z CA 1 +ATOM 48275 C C . ARG KA 19 35 ? 45.979 -102.029 -55.804 1.00 128.46 ? 35 ARG Z C 1 +ATOM 48276 O O . ARG KA 19 35 ? 46.157 -101.647 -56.968 1.00 136.28 ? 35 ARG Z O 1 +ATOM 48277 C CB . ARG KA 19 35 ? 45.051 -104.332 -55.457 1.00 120.65 ? 35 ARG Z CB 1 +ATOM 48278 C CG . ARG KA 19 35 ? 44.291 -104.219 -56.788 1.00 141.16 ? 35 ARG Z CG 1 +ATOM 48279 C CD . ARG KA 19 35 ? 43.223 -105.300 -56.965 1.00 158.34 ? 35 ARG Z CD 1 +ATOM 48280 N NE . ARG KA 19 35 ? 43.752 -106.543 -57.519 1.00 161.35 ? 35 ARG Z NE 1 +ATOM 48281 C CZ . ARG KA 19 35 ? 43.793 -106.833 -58.814 1.00 157.50 ? 35 ARG Z CZ 1 +ATOM 48282 N NH1 . ARG KA 19 35 ? 43.374 -105.975 -59.730 1.00 130.23 ? 35 ARG Z NH1 1 +ATOM 48283 N NH2 . ARG KA 19 35 ? 44.263 -108.017 -59.199 1.00 158.75 ? 35 ARG Z NH2 1 +ATOM 48284 N N . SER KA 19 36 ? 45.518 -101.218 -54.849 1.00 113.51 ? 36 SER Z N 1 +ATOM 48285 C CA . SER KA 19 36 ? 45.232 -99.818 -55.136 1.00 93.35 ? 36 SER Z CA 1 +ATOM 48286 C C . SER KA 19 36 ? 46.470 -99.108 -55.665 1.00 104.66 ? 36 SER Z C 1 +ATOM 48287 O O . SER KA 19 36 ? 46.429 -98.468 -56.723 1.00 95.17 ? 36 SER Z O 1 +ATOM 48288 C CB . SER KA 19 36 ? 44.707 -99.120 -53.881 1.00 97.57 ? 36 SER Z CB 1 +ATOM 48289 O OG . SER KA 19 36 ? 43.437 -99.621 -53.496 1.00 120.22 ? 36 SER Z OG 1 +ATOM 48290 N N . LYS KA 19 37 ? 47.589 -99.228 -54.948 1.00 93.99 ? 37 LYS Z N 1 +ATOM 48291 C CA . LYS KA 19 37 ? 48.799 -98.514 -55.340 1.00 96.51 ? 37 LYS Z CA 1 +ATOM 48292 C C . LYS KA 19 37 ? 49.237 -98.883 -56.753 1.00 100.77 ? 37 LYS Z C 1 +ATOM 48293 O O . LYS KA 19 37 ? 49.785 -98.041 -57.475 1.00 101.95 ? 37 LYS Z O 1 +ATOM 48294 C CB . LYS KA 19 37 ? 49.916 -98.791 -54.334 1.00 98.80 ? 37 LYS Z CB 1 +ATOM 48295 C CG . LYS KA 19 37 ? 51.157 -97.943 -54.538 1.00 116.25 ? 37 LYS Z CG 1 +ATOM 48296 C CD . LYS KA 19 37 ? 52.228 -98.283 -53.518 1.00 119.17 ? 37 LYS Z CD 1 +ATOM 48297 C CE . LYS KA 19 37 ? 53.538 -97.587 -53.849 1.00 131.27 ? 37 LYS Z CE 1 +ATOM 48298 N NZ . LYS KA 19 37 ? 54.621 -97.975 -52.901 1.00 136.63 ? 37 LYS Z NZ 1 +ATOM 48299 N N . GLN KA 19 38 ? 48.984 -100.123 -57.176 1.00 108.23 ? 38 GLN Z N 1 +ATOM 48300 C CA . GLN KA 19 38 ? 49.327 -100.526 -58.535 1.00 104.58 ? 38 GLN Z CA 1 +ATOM 48301 C C . GLN KA 19 38 ? 48.338 -99.962 -59.551 1.00 99.92 ? 38 GLN Z C 1 +ATOM 48302 O O . GLN KA 19 38 ? 48.745 -99.478 -60.612 1.00 74.38 ? 38 GLN Z O 1 +ATOM 48303 C CB . GLN KA 19 38 ? 49.385 -102.052 -58.632 1.00 114.82 ? 38 GLN Z CB 1 +ATOM 48304 C CG . GLN KA 19 38 ? 50.006 -102.561 -59.930 1.00 131.50 ? 38 GLN Z CG 1 +ATOM 48305 C CD . GLN KA 19 38 ? 49.935 -104.071 -60.060 1.00 150.40 ? 38 GLN Z CD 1 +ATOM 48306 O OE1 . GLN KA 19 38 ? 49.546 -104.764 -59.117 1.00 153.68 ? 38 GLN Z OE1 1 +ATOM 48307 N NE2 . GLN KA 19 38 ? 50.306 -104.589 -61.231 1.00 121.71 ? 38 GLN Z NE2 1 +ATOM 48308 N N . LEU KA 19 39 ? 47.041 -100.019 -59.241 1.00 76.25 ? 39 LEU Z N 1 +ATOM 48309 C CA . LEU KA 19 39 ? 46.033 -99.423 -60.114 1.00 88.00 ? 39 LEU Z CA 1 +ATOM 48310 C C . LEU KA 19 39 ? 46.283 -97.930 -60.313 1.00 94.24 ? 39 LEU Z C 1 +ATOM 48311 O O . LEU KA 19 39 ? 46.258 -97.428 -61.443 1.00 85.68 ? 39 LEU Z O 1 +ATOM 48312 C CB . LEU KA 19 39 ? 44.641 -99.649 -59.527 1.00 107.10 ? 39 LEU Z CB 1 +ATOM 48313 C CG . LEU KA 19 39 ? 44.041 -101.051 -59.551 1.00 100.40 ? 39 LEU Z CG 1 +ATOM 48314 C CD1 . LEU KA 19 39 ? 42.861 -101.127 -58.603 1.00 109.70 ? 39 LEU Z CD1 1 +ATOM 48315 C CD2 . LEU KA 19 39 ? 43.599 -101.392 -60.951 1.00 99.58 ? 39 LEU Z CD2 1 +ATOM 48316 N N . ILE KA 19 40 ? 46.523 -97.202 -59.221 1.00 102.18 ? 40 ILE Z N 1 +ATOM 48317 C CA . ILE KA 19 40 ? 46.729 -95.760 -59.327 1.00 91.77 ? 40 ILE Z CA 1 +ATOM 48318 C C . ILE KA 19 40 ? 47.959 -95.459 -60.175 1.00 86.39 ? 40 ILE Z C 1 +ATOM 48319 O O . ILE KA 19 40 ? 47.951 -94.532 -60.994 1.00 88.06 ? 40 ILE Z O 1 +ATOM 48320 C CB . ILE KA 19 40 ? 46.821 -95.126 -57.926 1.00 90.23 ? 40 ILE Z CB 1 +ATOM 48321 C CG1 . ILE KA 19 40 ? 45.501 -95.321 -57.179 1.00 84.38 ? 40 ILE Z CG1 1 +ATOM 48322 C CG2 . ILE KA 19 40 ? 47.177 -93.642 -58.024 1.00 90.40 ? 40 ILE Z CG2 1 +ATOM 48323 C CD1 . ILE KA 19 40 ? 45.539 -94.850 -55.747 1.00 96.48 ? 40 ILE Z CD1 1 +ATOM 48324 N N . PHE KA 19 41 ? 49.029 -96.241 -60.010 1.00 86.58 ? 41 PHE Z N 1 +ATOM 48325 C CA . PHE KA 19 41 ? 50.176 -96.098 -60.903 1.00 90.89 ? 41 PHE Z CA 1 +ATOM 48326 C C . PHE KA 19 41 ? 49.758 -96.312 -62.349 1.00 93.92 ? 41 PHE Z C 1 +ATOM 48327 O O . PHE KA 19 41 ? 50.218 -95.605 -63.254 1.00 94.02 ? 41 PHE Z O 1 +ATOM 48328 C CB . PHE KA 19 41 ? 51.273 -97.089 -60.522 1.00 97.36 ? 41 PHE Z CB 1 +ATOM 48329 C CG . PHE KA 19 41 ? 52.382 -96.494 -59.697 1.00 123.62 ? 41 PHE Z CG 1 +ATOM 48330 C CD1 . PHE KA 19 41 ? 52.394 -96.637 -58.315 1.00 111.68 ? 41 PHE Z CD1 1 +ATOM 48331 C CD2 . PHE KA 19 41 ? 53.428 -95.812 -60.305 1.00 115.89 ? 41 PHE Z CD2 1 +ATOM 48332 C CE1 . PHE KA 19 41 ? 53.421 -96.104 -57.556 1.00 116.71 ? 41 PHE Z CE1 1 +ATOM 48333 C CE2 . PHE KA 19 41 ? 54.461 -95.276 -59.547 1.00 127.46 ? 41 PHE Z CE2 1 +ATOM 48334 C CZ . PHE KA 19 41 ? 54.457 -95.425 -58.173 1.00 107.70 ? 41 PHE Z CZ 1 +ATOM 48335 N N . LEU KA 19 42 ? 48.862 -97.271 -62.574 1.00 78.36 ? 42 LEU Z N 1 +ATOM 48336 C CA . LEU KA 19 42 ? 48.426 -97.603 -63.920 1.00 93.73 ? 42 LEU Z CA 1 +ATOM 48337 C C . LEU KA 19 42 ? 47.556 -96.494 -64.497 1.00 95.96 ? 42 LEU Z C 1 +ATOM 48338 O O . LEU KA 19 42 ? 47.746 -96.075 -65.647 1.00 85.52 ? 42 LEU Z O 1 +ATOM 48339 C CB . LEU KA 19 42 ? 47.677 -98.941 -63.896 1.00 80.86 ? 42 LEU Z CB 1 +ATOM 48340 C CG . LEU KA 19 42 ? 47.135 -99.528 -65.206 1.00 109.72 ? 42 LEU Z CG 1 +ATOM 48341 C CD1 . LEU KA 19 42 ? 48.245 -99.741 -66.238 1.00 91.49 ? 42 LEU Z CD1 1 +ATOM 48342 C CD2 . LEU KA 19 42 ? 46.399 -100.835 -64.929 1.00 101.86 ? 42 LEU Z CD2 1 +ATOM 48343 N N . GLY KA 19 43 ? 46.589 -96.011 -63.716 1.00 72.94 ? 43 GLY Z N 1 +ATOM 48344 C CA . GLY KA 19 43 ? 45.750 -94.928 -64.195 1.00 68.72 ? 43 GLY Z CA 1 +ATOM 48345 C C . GLY KA 19 43 ? 46.555 -93.691 -64.541 1.00 65.54 ? 43 GLY Z C 1 +ATOM 48346 O O . GLY KA 19 43 ? 46.340 -93.074 -65.586 1.00 78.13 ? 43 GLY Z O 1 +ATOM 48347 N N . SER KA 19 44 ? 47.514 -93.335 -63.682 1.00 70.21 ? 44 SER Z N 1 +ATOM 48348 C CA . SER KA 19 44 ? 48.324 -92.143 -63.906 1.00 72.71 ? 44 SER Z CA 1 +ATOM 48349 C C . SER KA 19 44 ? 49.071 -92.230 -65.223 1.00 73.24 ? 44 SER Z C 1 +ATOM 48350 O O . SER KA 19 44 ? 49.047 -91.289 -66.027 1.00 90.64 ? 44 SER Z O 1 +ATOM 48351 C CB . SER KA 19 44 ? 49.311 -91.944 -62.755 1.00 70.82 ? 44 SER Z CB 1 +ATOM 48352 O OG . SER KA 19 44 ? 48.635 -91.844 -61.517 1.00 84.17 ? 44 SER Z OG 1 +ATOM 48353 N N . GLY KA 19 45 ? 49.753 -93.353 -65.459 1.00 86.55 ? 45 GLY Z N 1 +ATOM 48354 C CA . GLY KA 19 45 ? 50.425 -93.537 -66.735 1.00 72.00 ? 45 GLY Z CA 1 +ATOM 48355 C C . GLY KA 19 45 ? 49.466 -93.446 -67.903 1.00 66.89 ? 45 GLY Z C 1 +ATOM 48356 O O . GLY KA 19 45 ? 49.694 -92.691 -68.849 1.00 76.99 ? 45 GLY Z O 1 +ATOM 48357 N N . LEU KA 19 46 ? 48.361 -94.196 -67.837 1.00 70.21 ? 46 LEU Z N 1 +ATOM 48358 C CA . LEU KA 19 46 ? 47.380 -94.169 -68.919 1.00 81.35 ? 46 LEU Z CA 1 +ATOM 48359 C C . LEU KA 19 46 ? 46.816 -92.768 -69.123 1.00 93.48 ? 46 LEU Z C 1 +ATOM 48360 O O . LEU KA 19 46 ? 46.612 -92.334 -70.266 1.00 72.67 ? 46 LEU Z O 1 +ATOM 48361 C CB . LEU KA 19 46 ? 46.251 -95.163 -68.632 1.00 82.00 ? 46 LEU Z CB 1 +ATOM 48362 C CG . LEU KA 19 46 ? 45.323 -95.464 -69.815 1.00 100.65 ? 46 LEU Z CG 1 +ATOM 48363 C CD1 . LEU KA 19 46 ? 46.138 -95.737 -71.073 1.00 95.56 ? 46 LEU Z CD1 1 +ATOM 48364 C CD2 . LEU KA 19 46 ? 44.400 -96.638 -69.511 1.00 86.80 ? 46 LEU Z CD2 1 +ATOM 48365 N N . TRP KA 19 47 ? 46.567 -92.043 -68.020 1.00 81.49 ? 47 TRP Z N 1 +ATOM 48366 C CA . TRP KA 19 47 ? 46.043 -90.682 -68.125 1.00 83.72 ? 47 TRP Z CA 1 +ATOM 48367 C C . TRP KA 19 47 ? 47.034 -89.773 -68.839 1.00 65.75 ? 47 TRP Z C 1 +ATOM 48368 O O . TRP KA 19 47 ? 46.664 -89.027 -69.752 1.00 64.97 ? 47 TRP Z O 1 +ATOM 48369 C CB . TRP KA 19 47 ? 45.707 -90.142 -66.734 1.00 73.18 ? 47 TRP Z CB 1 +ATOM 48370 C CG . TRP KA 19 47 ? 44.956 -88.843 -66.744 1.00 70.98 ? 47 TRP Z CG 1 +ATOM 48371 C CD1 . TRP KA 19 47 ? 43.598 -88.680 -66.783 1.00 69.07 ? 47 TRP Z CD1 1 +ATOM 48372 C CD2 . TRP KA 19 47 ? 45.517 -87.528 -66.707 1.00 55.85 ? 47 TRP Z CD2 1 +ATOM 48373 N NE1 . TRP KA 19 47 ? 43.284 -87.346 -66.781 1.00 62.14 ? 47 TRP Z NE1 1 +ATOM 48374 C CE2 . TRP KA 19 47 ? 44.442 -86.616 -66.736 1.00 64.38 ? 47 TRP Z CE2 1 +ATOM 48375 C CE3 . TRP KA 19 47 ? 46.825 -87.032 -66.649 1.00 69.16 ? 47 TRP Z CE3 1 +ATOM 48376 C CZ2 . TRP KA 19 47 ? 44.632 -85.235 -66.694 1.00 59.10 ? 47 TRP Z CZ2 1 +ATOM 48377 C CZ3 . TRP KA 19 47 ? 47.016 -85.660 -66.611 1.00 63.95 ? 47 TRP Z CZ3 1 +ATOM 48378 C CH2 . TRP KA 19 47 ? 45.920 -84.775 -66.627 1.00 64.06 ? 47 TRP Z CH2 1 +ATOM 48379 N N . ILE KA 19 48 ? 48.310 -89.846 -68.449 1.00 73.72 ? 48 ILE Z N 1 +ATOM 48380 C CA . ILE KA 19 48 ? 49.338 -89.026 -69.082 1.00 69.17 ? 48 ILE Z CA 1 +ATOM 48381 C C . ILE KA 19 48 ? 49.446 -89.349 -70.565 1.00 80.18 ? 48 ILE Z C 1 +ATOM 48382 O O . ILE KA 19 48 ? 49.607 -88.450 -71.400 1.00 91.02 ? 48 ILE Z O 1 +ATOM 48383 C CB . ILE KA 19 48 ? 50.679 -89.221 -68.356 1.00 74.10 ? 48 ILE Z CB 1 +ATOM 48384 C CG1 . ILE KA 19 48 ? 50.628 -88.553 -66.989 1.00 82.38 ? 48 ILE Z CG1 1 +ATOM 48385 C CG2 . ILE KA 19 48 ? 51.814 -88.654 -69.169 1.00 80.27 ? 48 ILE Z CG2 1 +ATOM 48386 C CD1 . ILE KA 19 48 ? 51.879 -88.743 -66.181 1.00 102.60 ? 48 ILE Z CD1 1 +ATOM 48387 N N . ALA KA 19 49 ? 49.338 -90.634 -70.917 1.00 85.16 ? 49 ALA Z N 1 +ATOM 48388 C CA . ALA KA 19 49 ? 49.477 -91.051 -72.311 1.00 83.09 ? 49 ALA Z CA 1 +ATOM 48389 C C . ALA KA 19 49 ? 48.318 -90.548 -73.162 1.00 69.67 ? 49 ALA Z C 1 +ATOM 48390 O O . ALA KA 19 49 ? 48.516 -90.141 -74.313 1.00 72.22 ? 49 ALA Z O 1 +ATOM 48391 C CB . ALA KA 19 49 ? 49.574 -92.581 -72.390 1.00 78.51 ? 49 ALA Z CB 1 +ATOM 48392 N N . LEU KA 19 50 ? 47.096 -90.592 -72.622 1.00 76.22 ? 50 LEU Z N 1 +ATOM 48393 C CA . LEU KA 19 50 ? 45.943 -90.065 -73.346 1.00 71.43 ? 50 LEU Z CA 1 +ATOM 48394 C C . LEU KA 19 50 ? 46.072 -88.563 -73.583 1.00 78.88 ? 50 LEU Z C 1 +ATOM 48395 O O . LEU KA 19 50 ? 45.662 -88.057 -74.635 1.00 74.47 ? 50 LEU Z O 1 +ATOM 48396 C CB . LEU KA 19 50 ? 44.659 -90.380 -72.583 1.00 76.06 ? 50 LEU Z CB 1 +ATOM 48397 C CG . LEU KA 19 50 ? 44.266 -91.855 -72.545 1.00 86.44 ? 50 LEU Z CG 1 +ATOM 48398 C CD1 . LEU KA 19 50 ? 42.941 -92.019 -71.812 1.00 76.13 ? 50 LEU Z CD1 1 +ATOM 48399 C CD2 . LEU KA 19 50 ? 44.192 -92.410 -73.969 1.00 74.73 ? 50 LEU Z CD2 1 +ATOM 48400 N N . VAL KA 19 51 ? 46.633 -87.829 -72.618 1.00 67.85 ? 51 VAL Z N 1 +ATOM 48401 C CA . VAL KA 19 51 ? 46.859 -86.402 -72.829 1.00 73.29 ? 51 VAL Z CA 1 +ATOM 48402 C C . VAL KA 19 51 ? 47.769 -86.196 -74.030 1.00 69.98 ? 51 VAL Z C 1 +ATOM 48403 O O . VAL KA 19 51 ? 47.450 -85.430 -74.949 1.00 71.66 ? 51 VAL Z O 1 +ATOM 48404 C CB . VAL KA 19 51 ? 47.427 -85.735 -71.555 1.00 64.95 ? 51 VAL Z CB 1 +ATOM 48405 C CG1 . VAL KA 19 51 ? 47.896 -84.309 -71.843 1.00 61.01 ? 51 VAL Z CG1 1 +ATOM 48406 C CG2 . VAL KA 19 51 ? 46.392 -85.740 -70.436 1.00 59.70 ? 51 VAL Z CG2 1 +ATOM 48407 N N . LEU KA 19 52 ? 48.903 -86.899 -74.060 1.00 72.14 ? 52 LEU Z N 1 +ATOM 48408 C CA . LEU KA 19 52 ? 49.818 -86.750 -75.192 1.00 74.36 ? 52 LEU Z CA 1 +ATOM 48409 C C . LEU KA 19 52 ? 49.162 -87.199 -76.495 1.00 71.26 ? 52 LEU Z C 1 +ATOM 48410 O O . LEU KA 19 52 ? 49.328 -86.548 -77.531 1.00 71.10 ? 52 LEU Z O 1 +ATOM 48411 C CB . LEU KA 19 52 ? 51.106 -87.528 -74.931 1.00 76.39 ? 52 LEU Z CB 1 +ATOM 48412 C CG . LEU KA 19 52 ? 51.704 -87.247 -73.549 1.00 87.81 ? 52 LEU Z CG 1 +ATOM 48413 C CD1 . LEU KA 19 52 ? 52.836 -88.209 -73.215 1.00 89.45 ? 52 LEU Z CD1 1 +ATOM 48414 C CD2 . LEU KA 19 52 ? 52.178 -85.812 -73.452 1.00 77.70 ? 52 LEU Z CD2 1 +ATOM 48415 N N . VAL KA 19 53 ? 48.393 -88.294 -76.457 1.00 68.11 ? 53 VAL Z N 1 +ATOM 48416 C CA . VAL KA 19 53 ? 47.707 -88.769 -77.661 1.00 71.81 ? 53 VAL Z CA 1 +ATOM 48417 C C . VAL KA 19 53 ? 46.763 -87.698 -78.193 1.00 78.83 ? 53 VAL Z C 1 +ATOM 48418 O O . VAL KA 19 53 ? 46.801 -87.344 -79.382 1.00 82.53 ? 53 VAL Z O 1 +ATOM 48419 C CB . VAL KA 19 53 ? 46.963 -90.092 -77.381 1.00 76.31 ? 53 VAL Z CB 1 +ATOM 48420 C CG1 . VAL KA 19 53 ? 45.940 -90.377 -78.478 1.00 74.28 ? 53 VAL Z CG1 1 +ATOM 48421 C CG2 . VAL KA 19 53 ? 47.953 -91.260 -77.255 1.00 74.90 ? 53 VAL Z CG2 1 +ATOM 48422 N N . VAL KA 19 54 ? 45.902 -87.160 -77.322 1.00 77.82 ? 54 VAL Z N 1 +ATOM 48423 C CA . VAL KA 19 54 ? 44.997 -86.093 -77.751 1.00 78.86 ? 54 VAL Z CA 1 +ATOM 48424 C C . VAL KA 19 54 ? 45.788 -84.875 -78.211 1.00 67.84 ? 54 VAL Z C 1 +ATOM 48425 O O . VAL KA 19 54 ? 45.437 -84.228 -79.208 1.00 68.22 ? 54 VAL Z O 1 +ATOM 48426 C CB . VAL KA 19 54 ? 44.008 -85.739 -76.627 1.00 78.27 ? 54 VAL Z CB 1 +ATOM 48427 C CG1 . VAL KA 19 54 ? 43.263 -84.433 -76.953 1.00 71.08 ? 54 VAL Z CG1 1 +ATOM 48428 C CG2 . VAL KA 19 54 ? 43.034 -86.896 -76.402 1.00 63.44 ? 54 VAL Z CG2 1 +ATOM 48429 N N . GLY KA 19 55 ? 46.882 -84.562 -77.515 1.00 64.60 ? 55 GLY Z N 1 +ATOM 48430 C CA . GLY KA 19 55 ? 47.700 -83.428 -77.920 1.00 66.78 ? 55 GLY Z CA 1 +ATOM 48431 C C . GLY KA 19 55 ? 48.183 -83.543 -79.353 1.00 66.99 ? 55 GLY Z C 1 +ATOM 48432 O O . GLY KA 19 55 ? 48.049 -82.607 -80.144 1.00 70.45 ? 55 GLY Z O 1 +ATOM 48433 N N . VAL KA 19 56 ? 48.740 -84.704 -79.710 1.00 79.19 ? 56 VAL Z N 1 +ATOM 48434 C CA . VAL KA 19 56 ? 49.229 -84.913 -81.071 1.00 81.26 ? 56 VAL Z CA 1 +ATOM 48435 C C . VAL KA 19 56 ? 48.066 -84.974 -82.055 1.00 71.23 ? 56 VAL Z C 1 +ATOM 48436 O O . VAL KA 19 56 ? 48.107 -84.352 -83.120 1.00 63.78 ? 56 VAL Z O 1 +ATOM 48437 C CB . VAL KA 19 56 ? 50.093 -86.185 -81.147 1.00 87.34 ? 56 VAL Z CB 1 +ATOM 48438 C CG1 . VAL KA 19 56 ? 50.601 -86.379 -82.566 1.00 71.85 ? 56 VAL Z CG1 1 +ATOM 48439 C CG2 . VAL KA 19 56 ? 51.251 -86.094 -80.177 1.00 78.71 ? 56 VAL Z CG2 1 +ATOM 48440 N N . LEU KA 19 57 ? 47.002 -85.714 -81.706 1.00 75.53 ? 57 LEU Z N 1 +ATOM 48441 C CA . LEU KA 19 57 ? 45.859 -85.846 -82.610 1.00 67.75 ? 57 LEU Z CA 1 +ATOM 48442 C C . LEU KA 19 57 ? 45.156 -84.516 -82.862 1.00 94.51 ? 57 LEU Z C 1 +ATOM 48443 O O . LEU KA 19 57 ? 44.436 -84.384 -83.859 1.00 83.71 ? 57 LEU Z O 1 +ATOM 48444 C CB . LEU KA 19 57 ? 44.870 -86.878 -82.060 1.00 81.12 ? 57 LEU Z CB 1 +ATOM 48445 C CG . LEU KA 19 57 ? 45.240 -88.341 -82.362 1.00 83.43 ? 57 LEU Z CG 1 +ATOM 48446 C CD1 . LEU KA 19 57 ? 44.120 -89.290 -81.968 1.00 81.81 ? 57 LEU Z CD1 1 +ATOM 48447 C CD2 . LEU KA 19 57 ? 45.604 -88.521 -83.841 1.00 74.68 ? 57 LEU Z CD2 1 +ATOM 48448 N N . ASN KA 19 58 ? 45.356 -83.528 -81.984 1.00 88.63 ? 58 ASN Z N 1 +ATOM 48449 C CA . ASN KA 19 58 ? 44.719 -82.230 -82.157 1.00 79.73 ? 58 ASN Z CA 1 +ATOM 48450 C C . ASN KA 19 58 ? 45.107 -81.601 -83.492 1.00 85.58 ? 58 ASN Z C 1 +ATOM 48451 O O . ASN KA 19 58 ? 44.260 -81.023 -84.191 1.00 74.75 ? 58 ASN Z O 1 +ATOM 48452 C CB . ASN KA 19 58 ? 45.102 -81.325 -80.978 1.00 70.22 ? 58 ASN Z CB 1 +ATOM 48453 C CG . ASN KA 19 58 ? 44.742 -79.870 -81.214 1.00 76.94 ? 58 ASN Z CG 1 +ATOM 48454 O OD1 . ASN KA 19 58 ? 43.599 -79.456 -80.986 1.00 65.67 ? 58 ASN Z OD1 1 +ATOM 48455 N ND2 . ASN KA 19 58 ? 45.715 -79.085 -81.679 1.00 57.97 ? 58 ASN Z ND2 1 +ATOM 48456 N N . PHE KA 19 59 ? 46.378 -81.721 -83.874 1.00 64.46 ? 59 PHE Z N 1 +ATOM 48457 C CA . PHE KA 19 59 ? 46.874 -81.021 -85.049 1.00 73.11 ? 59 PHE Z CA 1 +ATOM 48458 C C . PHE KA 19 59 ? 46.490 -81.684 -86.371 1.00 80.46 ? 59 PHE Z C 1 +ATOM 48459 O O . PHE KA 19 59 ? 46.764 -81.111 -87.429 1.00 91.73 ? 59 PHE Z O 1 +ATOM 48460 C CB . PHE KA 19 59 ? 48.390 -80.874 -84.935 1.00 77.86 ? 59 PHE Z CB 1 +ATOM 48461 C CG . PHE KA 19 59 ? 48.813 -79.983 -83.804 1.00 87.86 ? 59 PHE Z CG 1 +ATOM 48462 C CD1 . PHE KA 19 59 ? 49.012 -78.624 -84.011 1.00 75.28 ? 59 PHE Z CD1 1 +ATOM 48463 C CD2 . PHE KA 19 59 ? 48.977 -80.495 -82.524 1.00 78.76 ? 59 PHE Z CD2 1 +ATOM 48464 C CE1 . PHE KA 19 59 ? 49.383 -77.798 -82.971 1.00 83.37 ? 59 PHE Z CE1 1 +ATOM 48465 C CE2 . PHE KA 19 59 ? 49.351 -79.665 -81.474 1.00 87.51 ? 59 PHE Z CE2 1 +ATOM 48466 C CZ . PHE KA 19 59 ? 49.554 -78.319 -81.701 1.00 83.70 ? 59 PHE Z CZ 1 +ATOM 48467 N N . PHE KA 19 60 ? 45.855 -82.857 -86.345 1.00 81.00 ? 60 PHE Z N 1 +ATOM 48468 C CA . PHE KA 19 60 ? 45.308 -83.478 -87.547 1.00 90.86 ? 60 PHE Z CA 1 +ATOM 48469 C C . PHE KA 19 60 ? 43.818 -83.248 -87.701 1.00 79.91 ? 60 PHE Z C 1 +ATOM 48470 O O . PHE KA 19 60 ? 43.260 -83.587 -88.748 1.00 90.41 ? 60 PHE Z O 1 +ATOM 48471 C CB . PHE KA 19 60 ? 45.568 -84.988 -87.547 1.00 76.03 ? 60 PHE Z CB 1 +ATOM 48472 C CG . PHE KA 19 60 ? 47.013 -85.337 -87.523 1.00 108.67 ? 60 PHE Z CG 1 +ATOM 48473 C CD1 . PHE KA 19 60 ? 47.764 -85.271 -88.684 1.00 112.88 ? 60 PHE Z CD1 1 +ATOM 48474 C CD2 . PHE KA 19 60 ? 47.632 -85.697 -86.338 1.00 77.04 ? 60 PHE Z CD2 1 +ATOM 48475 C CE1 . PHE KA 19 60 ? 49.105 -85.576 -88.668 1.00 128.66 ? 60 PHE Z CE1 1 +ATOM 48476 C CE2 . PHE KA 19 60 ? 48.970 -85.998 -86.313 1.00 95.82 ? 60 PHE Z CE2 1 +ATOM 48477 C CZ . PHE KA 19 60 ? 49.710 -85.944 -87.479 1.00 124.29 ? 60 PHE Z CZ 1 +ATOM 48478 N N . VAL KA 19 61 ? 43.164 -82.703 -86.682 1.00 79.13 ? 61 VAL Z N 1 +ATOM 48479 C CA . VAL KA 19 61 ? 41.739 -82.424 -86.722 1.00 81.02 ? 61 VAL Z CA 1 +ATOM 48480 C C . VAL KA 19 61 ? 41.454 -80.935 -86.644 1.00 79.53 ? 61 VAL Z C 1 +ATOM 48481 O O . VAL KA 19 61 ? 40.293 -80.523 -86.764 1.00 88.87 ? 61 VAL Z O 1 +ATOM 48482 C CB . VAL KA 19 61 ? 41.006 -83.195 -85.607 1.00 81.42 ? 61 VAL Z CB 1 +ATOM 48483 C CG1 . VAL KA 19 61 ? 41.214 -82.520 -84.244 1.00 88.49 ? 61 VAL Z CG1 1 +ATOM 48484 C CG2 . VAL KA 19 61 ? 39.540 -83.385 -85.941 1.00 102.27 ? 61 VAL Z CG2 1 +ATOM 48485 N N . VAL KA 19 62 ? 42.486 -80.113 -86.488 1.00 94.39 ? 62 VAL Z N 1 +ATOM 48486 C CA . VAL KA 19 62 ? 42.338 -78.669 -86.366 1.00 98.64 ? 62 VAL Z CA 1 +ATOM 48487 C C . VAL KA 19 62 ? 43.020 -77.980 -87.535 1.00 101.38 ? 62 VAL Z C 1 +ATOM 48488 O O . VAL KA 19 62 ? 44.214 -78.169 -87.781 1.00 115.30 ? 62 VAL Z O 1 +ATOM 48489 C CB . VAL KA 19 62 ? 42.908 -78.162 -85.024 1.00 98.03 ? 62 VAL Z CB 1 +ATOM 48490 C CG1 . VAL KA 19 62 ? 43.197 -76.672 -85.093 1.00 101.77 ? 62 VAL Z CG1 1 +ATOM 48491 C CG2 . VAL KA 19 62 ? 41.945 -78.475 -83.892 1.00 72.28 ? 62 VAL Z CG2 1 +ATOM 48492 O OXT . VAL KA 19 62 ? 42.388 -77.217 -88.258 1.00 116.97 ? 62 VAL Z OXT 1 +ATOM 48493 N N . ASP LA 20 1 ? -16.119 -77.729 -62.195 1.00 122.12 ? 2 ASP R N 1 +ATOM 48494 C CA . ASP LA 20 1 ? -14.898 -77.417 -62.932 1.00 114.44 ? 2 ASP R CA 1 +ATOM 48495 C C . ASP LA 20 1 ? -13.882 -78.554 -62.820 1.00 108.81 ? 2 ASP R C 1 +ATOM 48496 O O . ASP LA 20 1 ? -13.526 -78.977 -61.717 1.00 105.58 ? 2 ASP R O 1 +ATOM 48497 C CB . ASP LA 20 1 ? -14.288 -76.109 -62.423 1.00 106.48 ? 2 ASP R CB 1 +ATOM 48498 C CG . ASP LA 20 1 ? -13.209 -75.562 -63.348 1.00 100.67 ? 2 ASP R CG 1 +ATOM 48499 O OD1 . ASP LA 20 1 ? -12.910 -76.198 -64.381 1.00 106.06 ? 2 ASP R OD1 1 +ATOM 48500 O OD2 . ASP LA 20 1 ? -12.665 -74.479 -63.044 1.00 112.08 ? 2 ASP R OD2 1 +ATOM 48501 N N . TRP LA 20 2 ? -13.405 -79.037 -63.971 1.00 98.21 ? 3 TRP R N 1 +ATOM 48502 C CA . TRP LA 20 2 ? -12.500 -80.182 -63.965 1.00 99.55 ? 3 TRP R CA 1 +ATOM 48503 C C . TRP LA 20 2 ? -11.106 -79.817 -63.465 1.00 98.52 ? 3 TRP R C 1 +ATOM 48504 O O . TRP LA 20 2 ? -10.405 -80.677 -62.919 1.00 92.74 ? 3 TRP R O 1 +ATOM 48505 C CB . TRP LA 20 2 ? -12.415 -80.795 -65.362 1.00 97.15 ? 3 TRP R CB 1 +ATOM 48506 C CG . TRP LA 20 2 ? -11.836 -79.880 -66.405 1.00 112.83 ? 3 TRP R CG 1 +ATOM 48507 C CD1 . TRP LA 20 2 ? -12.517 -78.985 -67.185 1.00 114.36 ? 3 TRP R CD1 1 +ATOM 48508 C CD2 . TRP LA 20 2 ? -10.457 -79.779 -66.791 1.00 112.68 ? 3 TRP R CD2 1 +ATOM 48509 N NE1 . TRP LA 20 2 ? -11.646 -78.333 -68.031 1.00 115.87 ? 3 TRP R NE1 1 +ATOM 48510 C CE2 . TRP LA 20 2 ? -10.377 -78.804 -67.812 1.00 114.59 ? 3 TRP R CE2 1 +ATOM 48511 C CE3 . TRP LA 20 2 ? -9.284 -80.418 -66.374 1.00 98.98 ? 3 TRP R CE3 1 +ATOM 48512 C CZ2 . TRP LA 20 2 ? -9.168 -78.453 -68.419 1.00 94.46 ? 3 TRP R CZ2 1 +ATOM 48513 C CZ3 . TRP LA 20 2 ? -8.084 -80.068 -66.976 1.00 98.75 ? 3 TRP R CZ3 1 +ATOM 48514 C CH2 . TRP LA 20 2 ? -8.036 -79.094 -67.988 1.00 102.80 ? 3 TRP R CH2 1 +ATOM 48515 N N . ARG LA 20 3 ? -10.678 -78.562 -63.648 1.00 106.59 ? 4 ARG R N 1 +ATOM 48516 C CA . ARG LA 20 3 ? -9.354 -78.178 -63.168 1.00 83.42 ? 4 ARG R CA 1 +ATOM 48517 C C . ARG LA 20 3 ? -9.284 -78.224 -61.656 1.00 80.22 ? 4 ARG R C 1 +ATOM 48518 O O . ARG LA 20 3 ? -8.208 -78.459 -61.098 1.00 81.37 ? 4 ARG R O 1 +ATOM 48519 C CB . ARG LA 20 3 ? -8.975 -76.782 -63.648 1.00 92.43 ? 4 ARG R CB 1 +ATOM 48520 C CG . ARG LA 20 3 ? -9.120 -76.581 -65.122 1.00 94.84 ? 4 ARG R CG 1 +ATOM 48521 C CD . ARG LA 20 3 ? -10.062 -75.444 -65.348 1.00 96.85 ? 4 ARG R CD 1 +ATOM 48522 N NE . ARG LA 20 3 ? -9.343 -74.215 -65.628 1.00 76.31 ? 4 ARG R NE 1 +ATOM 48523 C CZ . ARG LA 20 3 ? -9.804 -72.998 -65.369 1.00 86.35 ? 4 ARG R CZ 1 +ATOM 48524 N NH1 . ARG LA 20 3 ? -10.931 -72.805 -64.694 1.00 82.80 ? 4 ARG R NH1 1 +ATOM 48525 N NH2 . ARG LA 20 3 ? -9.116 -71.945 -65.797 1.00 73.96 ? 4 ARG R NH2 1 +ATOM 48526 N N . VAL LA 20 4 ? -10.415 -77.993 -60.982 1.00 90.81 ? 5 VAL R N 1 +ATOM 48527 C CA . VAL LA 20 4 ? -10.463 -78.161 -59.534 1.00 84.71 ? 5 VAL R CA 1 +ATOM 48528 C C . VAL LA 20 4 ? -10.176 -79.606 -59.163 1.00 93.46 ? 5 VAL R C 1 +ATOM 48529 O O . VAL LA 20 4 ? -9.443 -79.880 -58.206 1.00 93.15 ? 5 VAL R O 1 +ATOM 48530 C CB . VAL LA 20 4 ? -11.824 -77.705 -58.983 1.00 92.39 ? 5 VAL R CB 1 +ATOM 48531 C CG1 . VAL LA 20 4 ? -11.828 -77.795 -57.454 1.00 89.73 ? 5 VAL R CG1 1 +ATOM 48532 C CG2 . VAL LA 20 4 ? -12.156 -76.300 -59.470 1.00 89.38 ? 5 VAL R CG2 1 +ATOM 48533 N N . LEU LA 20 5 ? -10.743 -80.554 -59.919 1.00 102.58 ? 6 LEU R N 1 +ATOM 48534 C CA . LEU LA 20 5 ? -10.535 -81.963 -59.601 1.00 100.20 ? 6 LEU R CA 1 +ATOM 48535 C C . LEU LA 20 5 ? -9.115 -82.398 -59.949 1.00 100.27 ? 6 LEU R C 1 +ATOM 48536 O O . LEU LA 20 5 ? -8.496 -83.164 -59.199 1.00 87.41 ? 6 LEU R O 1 +ATOM 48537 C CB . LEU LA 20 5 ? -11.567 -82.828 -60.329 1.00 115.23 ? 6 LEU R CB 1 +ATOM 48538 C CG . LEU LA 20 5 ? -11.865 -84.184 -59.672 1.00 117.41 ? 6 LEU R CG 1 +ATOM 48539 C CD1 . LEU LA 20 5 ? -13.275 -84.636 -60.019 1.00 132.40 ? 6 LEU R CD1 1 +ATOM 48540 C CD2 . LEU LA 20 5 ? -10.845 -85.249 -60.068 1.00 98.67 ? 6 LEU R CD2 1 +ATOM 48541 N N . VAL LA 20 6 ? -8.585 -81.912 -61.077 1.00 81.69 ? 7 VAL R N 1 +ATOM 48542 C CA . VAL LA 20 6 ? -7.200 -82.180 -61.461 1.00 87.37 ? 7 VAL R CA 1 +ATOM 48543 C C . VAL LA 20 6 ? -6.215 -81.720 -60.384 1.00 111.11 ? 7 VAL R C 1 +ATOM 48544 O O . VAL LA 20 6 ? -5.179 -82.363 -60.170 1.00 91.09 ? 7 VAL R O 1 +ATOM 48545 C CB . VAL LA 20 6 ? -6.911 -81.511 -62.820 1.00 94.29 ? 7 VAL R CB 1 +ATOM 48546 C CG1 . VAL LA 20 6 ? -5.433 -81.595 -63.168 1.00 85.19 ? 7 VAL R CG1 1 +ATOM 48547 C CG2 . VAL LA 20 6 ? -7.753 -82.149 -63.892 1.00 88.57 ? 7 VAL R CG2 1 +ATOM 48548 N N . VAL LA 20 7 ? -6.519 -80.617 -59.684 1.00 87.69 ? 8 VAL R N 1 +ATOM 48549 C CA . VAL LA 20 7 ? -5.593 -80.059 -58.698 1.00 80.39 ? 8 VAL R CA 1 +ATOM 48550 C C . VAL LA 20 7 ? -5.744 -80.748 -57.339 1.00 85.47 ? 8 VAL R C 1 +ATOM 48551 O O . VAL LA 20 7 ? -4.750 -81.025 -56.655 1.00 82.66 ? 8 VAL R O 1 +ATOM 48552 C CB . VAL LA 20 7 ? -5.813 -78.534 -58.590 1.00 79.93 ? 8 VAL R CB 1 +ATOM 48553 C CG1 . VAL LA 20 7 ? -5.048 -77.951 -57.404 1.00 68.75 ? 8 VAL R CG1 1 +ATOM 48554 C CG2 . VAL LA 20 7 ? -5.384 -77.851 -59.882 1.00 70.34 ? 8 VAL R CG2 1 +ATOM 48555 N N . LEU LA 20 8 ? -6.982 -81.018 -56.916 1.00 78.12 ? 9 LEU R N 1 +ATOM 48556 C CA . LEU LA 20 8 ? -7.203 -81.655 -55.622 1.00 83.85 ? 9 LEU R CA 1 +ATOM 48557 C C . LEU LA 20 8 ? -6.828 -83.135 -55.637 1.00 99.65 ? 9 LEU R C 1 +ATOM 48558 O O . LEU LA 20 8 ? -6.422 -83.678 -54.603 1.00 80.18 ? 9 LEU R O 1 +ATOM 48559 C CB . LEU LA 20 8 ? -8.660 -81.475 -55.214 1.00 90.29 ? 9 LEU R CB 1 +ATOM 48560 C CG . LEU LA 20 8 ? -9.021 -80.027 -54.895 1.00 102.11 ? 9 LEU R CG 1 +ATOM 48561 C CD1 . LEU LA 20 8 ? -10.509 -79.897 -54.624 1.00 109.70 ? 9 LEU R CD1 1 +ATOM 48562 C CD2 . LEU LA 20 8 ? -8.206 -79.545 -53.705 1.00 105.23 ? 9 LEU R CD2 1 +ATOM 48563 N N . LEU LA 20 9 ? -6.939 -83.790 -56.801 1.00 77.37 ? 10 LEU R N 1 +ATOM 48564 C CA . LEU LA 20 9 ? -6.695 -85.229 -56.889 1.00 95.50 ? 10 LEU R CA 1 +ATOM 48565 C C . LEU LA 20 9 ? -5.307 -85.634 -56.402 1.00 86.69 ? 10 LEU R C 1 +ATOM 48566 O O . LEU LA 20 9 ? -5.221 -86.562 -55.580 1.00 94.22 ? 10 LEU R O 1 +ATOM 48567 C CB . LEU LA 20 9 ? -6.963 -85.705 -58.324 1.00 86.28 ? 10 LEU R CB 1 +ATOM 48568 C CG . LEU LA 20 9 ? -6.720 -87.162 -58.717 1.00 97.33 ? 10 LEU R CG 1 +ATOM 48569 C CD1 . LEU LA 20 9 ? -7.432 -88.112 -57.769 1.00 106.00 ? 10 LEU R CD1 1 +ATOM 48570 C CD2 . LEU LA 20 9 ? -7.188 -87.383 -60.147 1.00 95.82 ? 10 LEU R CD2 1 +ATOM 48571 N N . PRO LA 20 10 ? -4.202 -85.005 -56.830 1.00 100.70 ? 11 PRO R N 1 +ATOM 48572 C CA . PRO LA 20 10 ? -2.901 -85.375 -56.240 1.00 80.66 ? 11 PRO R CA 1 +ATOM 48573 C C . PRO LA 20 10 ? -2.839 -85.131 -54.739 1.00 106.93 ? 11 PRO R C 1 +ATOM 48574 O O . PRO LA 20 10 ? -2.106 -85.838 -54.034 1.00 88.42 ? 11 PRO R O 1 +ATOM 48575 C CB . PRO LA 20 10 ? -1.897 -84.492 -56.998 1.00 79.84 ? 11 PRO R CB 1 +ATOM 48576 C CG . PRO LA 20 10 ? -2.621 -84.041 -58.234 1.00 85.96 ? 11 PRO R CG 1 +ATOM 48577 C CD . PRO LA 20 10 ? -4.054 -83.934 -57.833 1.00 75.74 ? 11 PRO R CD 1 +ATOM 48578 N N . VAL LA 20 11 ? -3.595 -84.156 -54.223 1.00 83.86 ? 12 VAL R N 1 +ATOM 48579 C CA . VAL LA 20 11 ? -3.612 -83.929 -52.783 1.00 92.90 ? 12 VAL R CA 1 +ATOM 48580 C C . VAL LA 20 11 ? -4.444 -84.995 -52.079 1.00 101.20 ? 12 VAL R C 1 +ATOM 48581 O O . VAL LA 20 11 ? -4.055 -85.496 -51.014 1.00 77.30 ? 12 VAL R O 1 +ATOM 48582 C CB . VAL LA 20 11 ? -4.120 -82.509 -52.470 1.00 78.68 ? 12 VAL R CB 1 +ATOM 48583 C CG1 . VAL LA 20 11 ? -4.313 -82.325 -50.968 1.00 69.53 ? 12 VAL R CG1 1 +ATOM 48584 C CG2 . VAL LA 20 11 ? -3.143 -81.480 -53.002 1.00 92.05 ? 12 VAL R CG2 1 +ATOM 48585 N N . LEU LA 20 12 ? -5.597 -85.351 -52.658 1.00 96.30 ? 13 LEU R N 1 +ATOM 48586 C CA . LEU LA 20 12 ? -6.463 -86.355 -52.043 1.00 99.05 ? 13 LEU R CA 1 +ATOM 48587 C C . LEU LA 20 12 ? -5.779 -87.716 -51.986 1.00 94.72 ? 13 LEU R C 1 +ATOM 48588 O O . LEU LA 20 12 ? -5.850 -88.408 -50.964 1.00 96.18 ? 13 LEU R O 1 +ATOM 48589 C CB . LEU LA 20 12 ? -7.788 -86.443 -52.803 1.00 97.78 ? 13 LEU R CB 1 +ATOM 48590 C CG . LEU LA 20 12 ? -8.791 -85.327 -52.489 1.00 114.27 ? 13 LEU R CG 1 +ATOM 48591 C CD1 . LEU LA 20 12 ? -10.011 -85.403 -53.407 1.00 107.65 ? 13 LEU R CD1 1 +ATOM 48592 C CD2 . LEU LA 20 12 ? -9.214 -85.388 -51.025 1.00 99.68 ? 13 LEU R CD2 1 +ATOM 48593 N N . LEU LA 20 13 ? -5.087 -88.106 -53.063 1.00 96.77 ? 14 LEU R N 1 +ATOM 48594 C CA . LEU LA 20 13 ? -4.368 -89.378 -53.058 1.00 101.13 ? 14 LEU R CA 1 +ATOM 48595 C C . LEU LA 20 13 ? -3.240 -89.391 -52.029 1.00 104.21 ? 14 LEU R C 1 +ATOM 48596 O O . LEU LA 20 13 ? -2.913 -90.454 -51.485 1.00 105.85 ? 14 LEU R O 1 +ATOM 48597 C CB . LEU LA 20 13 ? -3.830 -89.678 -54.457 1.00 89.56 ? 14 LEU R CB 1 +ATOM 48598 C CG . LEU LA 20 13 ? -4.910 -89.712 -55.542 1.00 108.46 ? 14 LEU R CG 1 +ATOM 48599 C CD1 . LEU LA 20 13 ? -4.296 -89.821 -56.928 1.00 100.18 ? 14 LEU R CD1 1 +ATOM 48600 C CD2 . LEU LA 20 13 ? -5.889 -90.851 -55.292 1.00 112.54 ? 14 LEU R CD2 1 +ATOM 48601 N N . ALA LA 20 14 ? -2.642 -88.226 -51.746 1.00 97.45 ? 15 ALA R N 1 +ATOM 48602 C CA . ALA LA 20 14 ? -1.593 -88.134 -50.732 1.00 94.97 ? 15 ALA R CA 1 +ATOM 48603 C C . ALA LA 20 14 ? -2.164 -88.210 -49.322 1.00 108.54 ? 15 ALA R C 1 +ATOM 48604 O O . ALA LA 20 14 ? -1.509 -88.741 -48.415 1.00 79.55 ? 15 ALA R O 1 +ATOM 48605 C CB . ALA LA 20 14 ? -0.803 -86.833 -50.898 1.00 91.74 ? 15 ALA R CB 1 +ATOM 48606 N N . ALA LA 20 15 ? -3.363 -87.660 -49.113 1.00 96.62 ? 16 ALA R N 1 +ATOM 48607 C CA . ALA LA 20 15 ? -4.038 -87.812 -47.830 1.00 100.88 ? 16 ALA R CA 1 +ATOM 48608 C C . ALA LA 20 15 ? -4.323 -89.282 -47.537 1.00 111.38 ? 16 ALA R C 1 +ATOM 48609 O O . ALA LA 20 15 ? -4.046 -89.775 -46.436 1.00 82.81 ? 16 ALA R O 1 +ATOM 48610 C CB . ALA LA 20 15 ? -5.330 -86.991 -47.819 1.00 89.35 ? 16 ALA R CB 1 +ATOM 48611 N N . GLY LA 20 16 ? -4.862 -90.005 -48.526 1.00 89.37 ? 17 GLY R N 1 +ATOM 48612 C CA . GLY LA 20 16 ? -5.182 -91.408 -48.326 1.00 96.10 ? 17 GLY R CA 1 +ATOM 48613 C C . GLY LA 20 16 ? -3.963 -92.293 -48.150 1.00 83.66 ? 17 GLY R C 1 +ATOM 48614 O O . GLY LA 20 16 ? -3.999 -93.251 -47.374 1.00 91.35 ? 17 GLY R O 1 +ATOM 48615 N N . TRP LA 20 17 ? -2.874 -91.991 -48.861 1.00 97.33 ? 18 TRP R N 1 +ATOM 48616 C CA . TRP LA 20 17 ? -1.655 -92.787 -48.735 1.00 89.93 ? 18 TRP R CA 1 +ATOM 48617 C C . TRP LA 20 17 ? -1.030 -92.645 -47.352 1.00 102.71 ? 18 TRP R C 1 +ATOM 48618 O O . TRP LA 20 17 ? -0.518 -93.622 -46.792 1.00 92.09 ? 18 TRP R O 1 +ATOM 48619 C CB . TRP LA 20 17 ? -0.654 -92.374 -49.814 1.00 95.23 ? 18 TRP R CB 1 +ATOM 48620 C CG . TRP LA 20 17 ? 0.687 -93.035 -49.692 1.00 99.79 ? 18 TRP R CG 1 +ATOM 48621 C CD1 . TRP LA 20 17 ? 1.864 -92.442 -49.340 1.00 88.07 ? 18 TRP R CD1 1 +ATOM 48622 C CD2 . TRP LA 20 17 ? 0.990 -94.421 -49.925 1.00 111.51 ? 18 TRP R CD2 1 +ATOM 48623 N NE1 . TRP LA 20 17 ? 2.881 -93.368 -49.342 1.00 99.46 ? 18 TRP R NE1 1 +ATOM 48624 C CE2 . TRP LA 20 17 ? 2.371 -94.591 -49.697 1.00 100.52 ? 18 TRP R CE2 1 +ATOM 48625 C CE3 . TRP LA 20 17 ? 0.226 -95.533 -50.302 1.00 93.21 ? 18 TRP R CE3 1 +ATOM 48626 C CZ2 . TRP LA 20 17 ? 3.005 -95.825 -49.834 1.00 97.15 ? 18 TRP R CZ2 1 +ATOM 48627 C CZ3 . TRP LA 20 17 ? 0.859 -96.757 -50.439 1.00 111.72 ? 18 TRP R CZ3 1 +ATOM 48628 C CH2 . TRP LA 20 17 ? 2.234 -96.892 -50.205 1.00 98.39 ? 18 TRP R CH2 1 +ATOM 48629 N N . ALA LA 20 18 ? -1.045 -91.433 -46.792 1.00 96.54 ? 19 ALA R N 1 +ATOM 48630 C CA . ALA LA 20 18 ? -0.506 -91.245 -45.451 1.00 109.37 ? 19 ALA R CA 1 +ATOM 48631 C C . ALA LA 20 18 ? -1.383 -91.915 -44.398 1.00 103.11 ? 19 ALA R C 1 +ATOM 48632 O O . ALA LA 20 18 ? -0.867 -92.403 -43.385 1.00 82.12 ? 19 ALA R O 1 +ATOM 48633 C CB . ALA LA 20 18 ? -0.343 -89.753 -45.159 1.00 75.00 ? 19 ALA R CB 1 +ATOM 48634 N N . VAL LA 20 19 ? -2.698 -91.962 -44.630 1.00 79.85 ? 20 VAL R N 1 +ATOM 48635 C CA . VAL LA 20 19 ? -3.610 -92.620 -43.700 1.00 115.19 ? 20 VAL R CA 1 +ATOM 48636 C C . VAL LA 20 19 ? -3.366 -94.129 -43.668 1.00 118.43 ? 20 VAL R C 1 +ATOM 48637 O O . VAL LA 20 19 ? -3.335 -94.740 -42.592 1.00 103.37 ? 20 VAL R O 1 +ATOM 48638 C CB . VAL LA 20 19 ? -5.066 -92.279 -44.064 1.00 102.00 ? 20 VAL R CB 1 +ATOM 48639 C CG1 . VAL LA 20 19 ? -6.026 -93.207 -43.352 1.00 106.27 ? 20 VAL R CG1 1 +ATOM 48640 C CG2 . VAL LA 20 19 ? -5.358 -90.852 -43.695 1.00 84.07 ? 20 VAL R CG2 1 +ATOM 48641 N N . ARG LA 20 20 ? -3.183 -94.750 -44.840 1.00 101.80 ? 21 ARG R N 1 +ATOM 48642 C CA . ARG LA 20 20 ? -2.867 -96.175 -44.888 1.00 113.92 ? 21 ARG R CA 1 +ATOM 48643 C C . ARG LA 20 20 ? -1.641 -96.501 -44.041 1.00 111.30 ? 21 ARG R C 1 +ATOM 48644 O O . ARG LA 20 20 ? -1.651 -97.449 -43.248 1.00 126.09 ? 21 ARG R O 1 +ATOM 48645 C CB . ARG LA 20 20 ? -2.646 -96.623 -46.337 1.00 92.33 ? 21 ARG R CB 1 +ATOM 48646 C CG . ARG LA 20 20 ? -3.900 -97.127 -47.031 1.00 126.79 ? 21 ARG R CG 1 +ATOM 48647 C CD . ARG LA 20 20 ? -3.618 -98.391 -47.850 1.00 161.12 ? 21 ARG R CD 1 +ATOM 48648 N NE . ARG LA 20 20 ? -4.812 -98.906 -48.516 1.00 167.37 ? 21 ARG R NE 1 +ATOM 48649 C CZ . ARG LA 20 20 ? -4.934 -100.138 -48.998 1.00 155.09 ? 21 ARG R CZ 1 +ATOM 48650 N NH1 . ARG LA 20 20 ? -3.957 -101.024 -48.888 1.00 133.59 ? 21 ARG R NH1 1 +ATOM 48651 N NH2 . ARG LA 20 20 ? -6.069 -100.491 -49.600 1.00 136.48 ? 21 ARG R NH2 1 +ATOM 48652 N N . ASN LA 20 21 ? -0.578 -95.710 -44.186 1.00 89.83 ? 22 ASN R N 1 +ATOM 48653 C CA . ASN LA 20 21 ? 0.680 -95.983 -43.505 1.00 97.46 ? 22 ASN R CA 1 +ATOM 48654 C C . ASN LA 20 21 ? 0.676 -95.579 -42.037 1.00 106.41 ? 22 ASN R C 1 +ATOM 48655 O O . ASN LA 20 21 ? 1.638 -95.895 -41.329 1.00 101.57 ? 22 ASN R O 1 +ATOM 48656 C CB . ASN LA 20 21 ? 1.826 -95.254 -44.202 1.00 104.38 ? 22 ASN R CB 1 +ATOM 48657 C CG . ASN LA 20 21 ? 2.064 -95.746 -45.612 1.00 110.79 ? 22 ASN R CG 1 +ATOM 48658 O OD1 . ASN LA 20 21 ? 2.987 -96.518 -45.854 1.00 107.58 ? 22 ASN R OD1 1 +ATOM 48659 N ND2 . ASN LA 20 21 ? 1.239 -95.290 -46.556 1.00 102.55 ? 22 ASN R ND2 1 +ATOM 48660 N N . ILE LA 20 22 ? -0.350 -94.878 -41.562 1.00 93.21 ? 23 ILE R N 1 +ATOM 48661 C CA . ILE LA 20 22 ? -0.332 -94.358 -40.202 1.00 111.44 ? 23 ILE R CA 1 +ATOM 48662 C C . ILE LA 20 22 ? -1.513 -94.826 -39.363 1.00 108.79 ? 23 ILE R C 1 +ATOM 48663 O O . ILE LA 20 22 ? -1.447 -94.711 -38.130 1.00 115.62 ? 23 ILE R O 1 +ATOM 48664 C CB . ILE LA 20 22 ? -0.253 -92.813 -40.192 1.00 94.64 ? 23 ILE R CB 1 +ATOM 48665 C CG1 . ILE LA 20 22 ? 0.606 -92.346 -39.020 1.00 82.25 ? 23 ILE R CG1 1 +ATOM 48666 C CG2 . ILE LA 20 22 ? -1.642 -92.180 -40.125 1.00 74.39 ? 23 ILE R CG2 1 +ATOM 48667 C CD1 . ILE LA 20 22 ? 2.031 -92.836 -39.098 1.00 75.54 ? 23 ILE R CD1 1 +ATOM 48668 N N . LEU LA 20 23 ? -2.572 -95.369 -39.969 1.00 115.08 ? 24 LEU R N 1 +ATOM 48669 C CA . LEU LA 20 23 ? -3.782 -95.675 -39.209 1.00 130.14 ? 24 LEU R CA 1 +ATOM 48670 C C . LEU LA 20 23 ? -3.570 -96.694 -38.088 1.00 132.02 ? 24 LEU R C 1 +ATOM 48671 O O . LEU LA 20 23 ? -4.204 -96.533 -37.027 1.00 123.35 ? 24 LEU R O 1 +ATOM 48672 C CB . LEU LA 20 23 ? -4.898 -96.132 -40.159 1.00 129.29 ? 24 LEU R CB 1 +ATOM 48673 C CG . LEU LA 20 23 ? -6.317 -96.116 -39.573 1.00 130.90 ? 24 LEU R CG 1 +ATOM 48674 C CD1 . LEU LA 20 23 ? -6.558 -94.831 -38.783 1.00 110.04 ? 24 LEU R CD1 1 +ATOM 48675 C CD2 . LEU LA 20 23 ? -7.333 -96.264 -40.691 1.00 100.04 ? 24 LEU R CD2 1 +ATOM 48676 N N . PRO LA 20 24 ? -2.725 -97.732 -38.224 1.00 135.84 ? 25 PRO R N 1 +ATOM 48677 C CA . PRO LA 20 24 ? -2.473 -98.598 -37.049 1.00 131.59 ? 25 PRO R CA 1 +ATOM 48678 C C . PRO LA 20 24 ? -1.974 -97.834 -35.831 1.00 124.06 ? 25 PRO R C 1 +ATOM 48679 O O . PRO LA 20 24 ? -2.498 -98.021 -34.725 1.00 113.47 ? 25 PRO R O 1 +ATOM 48680 C CB . PRO LA 20 24 ? -1.430 -99.606 -37.570 1.00 120.07 ? 25 PRO R CB 1 +ATOM 48681 C CG . PRO LA 20 24 ? -0.929 -99.046 -38.868 1.00 115.62 ? 25 PRO R CG 1 +ATOM 48682 C CD . PRO LA 20 24 ? -2.089 -98.290 -39.431 1.00 108.97 ? 25 PRO R CD 1 +ATOM 48683 N N . TYR LA 20 25 ? -0.981 -96.962 -36.005 1.00 117.00 ? 26 TYR R N 1 +ATOM 48684 C CA . TYR LA 20 25 ? -0.474 -96.195 -34.874 1.00 111.50 ? 26 TYR R CA 1 +ATOM 48685 C C . TYR LA 20 25 ? -1.436 -95.084 -34.470 1.00 113.57 ? 26 TYR R C 1 +ATOM 48686 O O . TYR LA 20 25 ? -1.487 -94.712 -33.292 1.00 95.83 ? 26 TYR R O 1 +ATOM 48687 C CB . TYR LA 20 25 ? 0.896 -95.620 -35.214 1.00 91.37 ? 26 TYR R CB 1 +ATOM 48688 C CG . TYR LA 20 25 ? 1.703 -96.492 -36.147 1.00 114.98 ? 26 TYR R CG 1 +ATOM 48689 C CD1 . TYR LA 20 25 ? 2.418 -97.584 -35.671 1.00 124.50 ? 26 TYR R CD1 1 +ATOM 48690 C CD2 . TYR LA 20 25 ? 1.753 -96.220 -37.511 1.00 133.79 ? 26 TYR R CD2 1 +ATOM 48691 C CE1 . TYR LA 20 25 ? 3.164 -98.385 -36.529 1.00 129.87 ? 26 TYR R CE1 1 +ATOM 48692 C CE2 . TYR LA 20 25 ? 2.496 -97.012 -38.378 1.00 126.75 ? 26 TYR R CE2 1 +ATOM 48693 C CZ . TYR LA 20 25 ? 3.199 -98.092 -37.882 1.00 127.38 ? 26 TYR R CZ 1 +ATOM 48694 O OH . TYR LA 20 25 ? 3.938 -98.874 -38.741 1.00 118.42 ? 26 TYR R OH 1 +ATOM 48695 N N . ALA LA 20 26 ? -2.197 -94.538 -35.423 1.00 109.03 ? 27 ALA R N 1 +ATOM 48696 C CA . ALA LA 20 26 ? -3.164 -93.496 -35.092 1.00 113.83 ? 27 ALA R CA 1 +ATOM 48697 C C . ALA LA 20 26 ? -4.242 -94.031 -34.159 1.00 118.86 ? 27 ALA R C 1 +ATOM 48698 O O . ALA LA 20 26 ? -4.550 -93.419 -33.129 1.00 107.03 ? 27 ALA R O 1 +ATOM 48699 C CB . ALA LA 20 26 ? -3.784 -92.921 -36.368 1.00 94.84 ? 27 ALA R CB 1 +ATOM 48700 N N . VAL LA 20 27 ? -4.826 -95.180 -34.507 1.00 117.00 ? 28 VAL R N 1 +ATOM 48701 C CA . VAL LA 20 27 ? -5.788 -95.824 -33.617 1.00 110.11 ? 28 VAL R CA 1 +ATOM 48702 C C . VAL LA 20 27 ? -5.132 -96.143 -32.278 1.00 115.63 ? 28 VAL R C 1 +ATOM 48703 O O . VAL LA 20 27 ? -5.739 -95.973 -31.213 1.00 102.82 ? 28 VAL R O 1 +ATOM 48704 C CB . VAL LA 20 27 ? -6.375 -97.080 -34.288 1.00 99.99 ? 28 VAL R CB 1 +ATOM 48705 C CG1 . VAL LA 20 27 ? -7.142 -97.923 -33.281 1.00 126.40 ? 28 VAL R CG1 1 +ATOM 48706 C CG2 . VAL LA 20 27 ? -7.288 -96.683 -35.441 1.00 111.16 ? 28 VAL R CG2 1 +ATOM 48707 N N . LYS LA 20 28 ? -3.867 -96.570 -32.306 1.00 104.86 ? 29 LYS R N 1 +ATOM 48708 C CA . LYS LA 20 28 ? -3.173 -96.885 -31.064 1.00 87.74 ? 29 LYS R CA 1 +ATOM 48709 C C . LYS LA 20 28 ? -2.893 -95.633 -30.236 1.00 111.27 ? 29 LYS R C 1 +ATOM 48710 O O . LYS LA 20 28 ? -2.938 -95.693 -29.003 1.00 111.70 ? 29 LYS R O 1 +ATOM 48711 C CB . LYS LA 20 28 ? -1.881 -97.650 -31.364 1.00 104.25 ? 29 LYS R CB 1 +ATOM 48712 C CG . LYS LA 20 28 ? -1.931 -99.144 -30.981 1.00 130.76 ? 29 LYS R CG 1 +ATOM 48713 C CD . LYS LA 20 28 ? -2.256 -100.082 -32.159 1.00 127.35 ? 29 LYS R CD 1 +ATOM 48714 C CE . LYS LA 20 28 ? -0.997 -100.476 -32.941 1.00 145.13 ? 29 LYS R CE 1 +ATOM 48715 N NZ . LYS LA 20 28 ? -1.263 -101.400 -34.094 1.00 124.59 ? 29 LYS R NZ 1 +ATOM 48716 N N . GLN LA 20 29 ? -2.624 -94.490 -30.879 1.00 123.41 ? 30 GLN R N 1 +ATOM 48717 C CA . GLN LA 20 29 ? -2.435 -93.255 -30.119 1.00 103.35 ? 30 GLN R CA 1 +ATOM 48718 C C . GLN LA 20 29 ? -3.746 -92.768 -29.510 1.00 105.41 ? 30 GLN R C 1 +ATOM 48719 O O . GLN LA 20 29 ? -3.771 -92.325 -28.356 1.00 91.01 ? 30 GLN R O 1 +ATOM 48720 C CB . GLN LA 20 29 ? -1.824 -92.158 -31.000 1.00 105.49 ? 30 GLN R CB 1 +ATOM 48721 C CG . GLN LA 20 29 ? -1.372 -90.930 -30.190 1.00 105.79 ? 30 GLN R CG 1 +ATOM 48722 C CD . GLN LA 20 29 ? -1.094 -89.678 -31.030 1.00 98.68 ? 30 GLN R CD 1 +ATOM 48723 O OE1 . GLN LA 20 29 ? -0.459 -89.738 -32.089 1.00 76.23 ? 30 GLN R OE1 1 +ATOM 48724 N NE2 . GLN LA 20 29 ? -1.566 -88.531 -30.545 1.00 73.57 ? 30 GLN R NE2 1 +ATOM 48725 N N . VAL LA 20 30 ? -4.842 -92.833 -30.273 1.00 124.87 ? 31 VAL R N 1 +ATOM 48726 C CA . VAL LA 20 30 ? -6.144 -92.412 -29.757 1.00 111.48 ? 31 VAL R CA 1 +ATOM 48727 C C . VAL LA 20 30 ? -6.593 -93.325 -28.622 1.00 133.57 ? 31 VAL R C 1 +ATOM 48728 O O . VAL LA 20 30 ? -7.200 -92.871 -27.643 1.00 128.85 ? 31 VAL R O 1 +ATOM 48729 C CB . VAL LA 20 30 ? -7.185 -92.368 -30.894 1.00 123.73 ? 31 VAL R CB 1 +ATOM 48730 C CG1 . VAL LA 20 30 ? -8.558 -91.994 -30.351 1.00 118.26 ? 31 VAL R CG1 1 +ATOM 48731 C CG2 . VAL LA 20 30 ? -6.751 -91.389 -31.972 1.00 114.99 ? 31 VAL R CG2 1 +ATOM 48732 N N . GLN LA 20 31 ? -6.301 -94.626 -28.730 1.00 119.80 ? 32 GLN R N 1 +ATOM 48733 C CA . GLN LA 20 31 ? -6.696 -95.563 -27.681 1.00 126.88 ? 32 GLN R CA 1 +ATOM 48734 C C . GLN LA 20 31 ? -5.954 -95.285 -26.377 1.00 125.37 ? 32 GLN R C 1 +ATOM 48735 O O . GLN LA 20 31 ? -6.558 -95.306 -25.297 1.00 117.68 ? 32 GLN R O 1 +ATOM 48736 C CB . GLN LA 20 31 ? -6.457 -97.002 -28.143 1.00 123.20 ? 32 GLN R CB 1 +ATOM 48737 C CG . GLN LA 20 31 ? -7.560 -97.562 -29.036 1.00 134.67 ? 32 GLN R CG 1 +ATOM 48738 C CD . GLN LA 20 31 ? -7.205 -98.912 -29.635 1.00 139.96 ? 32 GLN R CD 1 +ATOM 48739 O OE1 . GLN LA 20 31 ? -6.129 -99.454 -29.383 1.00 134.67 ? 32 GLN R OE1 1 +ATOM 48740 N NE2 . GLN LA 20 31 ? -8.112 -99.459 -30.438 1.00 149.83 ? 32 GLN R NE2 1 +ATOM 48741 N N . LYS LA 20 32 ? -4.647 -95.015 -26.457 1.00 127.47 ? 33 LYS R N 1 +ATOM 48742 C CA . LYS LA 20 32 ? -3.868 -94.761 -25.248 1.00 121.94 ? 33 LYS R CA 1 +ATOM 48743 C C . LYS LA 20 32 ? -4.379 -93.535 -24.498 1.00 128.09 ? 33 LYS R C 1 +ATOM 48744 O O . LYS LA 20 32 ? -4.416 -93.526 -23.262 1.00 130.57 ? 33 LYS R O 1 +ATOM 48745 C CB . LYS LA 20 32 ? -2.390 -94.591 -25.597 1.00 95.14 ? 33 LYS R CB 1 +ATOM 48746 C CG . LYS LA 20 32 ? -1.531 -95.802 -25.278 1.00 133.70 ? 33 LYS R CG 1 +ATOM 48747 C CD . LYS LA 20 32 ? -1.622 -96.867 -26.361 1.00 141.37 ? 33 LYS R CD 1 +ATOM 48748 C CE . LYS LA 20 32 ? -0.502 -96.705 -27.381 1.00 134.59 ? 33 LYS R CE 1 +ATOM 48749 N NZ . LYS LA 20 32 ? -0.518 -97.788 -28.404 1.00 144.75 ? 33 LYS R NZ 1 +ATOM 48750 N N . LEU LA 20 33 ? -4.786 -92.494 -25.225 1.00 142.86 ? 34 LEU R N 1 +ATOM 48751 C CA . LEU LA 20 33 ? -5.288 -91.281 -24.588 1.00 148.39 ? 34 LEU R CA 1 +ATOM 48752 C C . LEU LA 20 33 ? -6.751 -91.462 -24.189 1.00 150.71 ? 34 LEU R C 1 +ATOM 48753 O O . LEU LA 20 33 ? -7.532 -90.503 -24.201 1.00 141.65 ? 34 LEU R O 1 +ATOM 48754 C CB . LEU LA 20 33 ? -5.109 -90.074 -25.520 1.00 129.43 ? 34 LEU R CB 1 +ATOM 48755 C CG . LEU LA 20 33 ? -5.232 -88.662 -24.931 1.00 114.99 ? 34 LEU R CG 1 +ATOM 48756 C CD1 . LEU LA 20 33 ? -4.010 -88.262 -24.112 1.00 100.11 ? 34 LEU R CD1 1 +ATOM 48757 C CD2 . LEU LA 20 33 ? -5.488 -87.674 -26.046 1.00 119.55 ? 34 LEU R CD2 1 +ATOM 48758 N N . LEU LA 20 34 ? -7.131 -92.688 -23.830 1.00 152.32 ? 35 LEU R N 1 +ATOM 48759 C CA . LEU LA 20 34 ? -8.496 -92.988 -23.396 1.00 146.33 ? 35 LEU R CA 1 +ATOM 48760 C C . LEU LA 20 34 ? -8.518 -94.097 -22.342 1.00 131.69 ? 35 LEU R C 1 +ATOM 48761 O O . LEU LA 20 34 ? -7.477 -94.496 -21.814 1.00 134.43 ? 35 LEU R O 1 +ATOM 48762 C CB . LEU LA 20 34 ? -9.366 -93.387 -24.593 1.00 140.43 ? 35 LEU R CB 1 +ATOM 48763 C CG . LEU LA 20 34 ? -9.747 -92.312 -25.615 1.00 132.28 ? 35 LEU R CG 1 +ATOM 48764 C CD1 . LEU LA 20 34 ? -10.431 -92.945 -26.812 1.00 137.64 ? 35 LEU R CD1 1 +ATOM 48765 C CD2 . LEU LA 20 34 ? -10.640 -91.252 -24.990 1.00 118.89 ? 35 LEU R CD2 1 +ATOM 48766 N N . MET MA 19 1 ? -13.790 66.944 31.015 1.00 121.25 ? 1 MET z N 1 +ATOM 48767 C CA . MET MA 19 1 ? -14.553 65.701 31.069 1.00 140.37 ? 1 MET z CA 1 +ATOM 48768 C C . MET MA 19 1 ? -13.752 64.540 30.484 1.00 120.36 ? 1 MET z C 1 +ATOM 48769 O O . MET MA 19 1 ? -13.607 63.500 31.120 1.00 96.34 ? 1 MET z O 1 +ATOM 48770 C CB . MET MA 19 1 ? -15.882 65.848 30.327 1.00 126.08 ? 1 MET z CB 1 +ATOM 48771 C CG . MET MA 19 1 ? -16.798 64.650 30.485 1.00 119.64 ? 1 MET z CG 1 +ATOM 48772 S SD . MET MA 19 1 ? -16.877 64.110 32.207 1.00 162.04 ? 1 MET z SD 1 +ATOM 48773 C CE . MET MA 19 1 ? -18.650 64.015 32.477 1.00 107.99 ? 1 MET z CE 1 +ATOM 48774 N N . THR MA 19 2 ? -13.247 64.733 29.262 1.00 116.25 ? 2 THR z N 1 +ATOM 48775 C CA . THR MA 19 2 ? -12.345 63.757 28.660 1.00 130.73 ? 2 THR z CA 1 +ATOM 48776 C C . THR MA 19 2 ? -11.188 63.432 29.597 1.00 140.59 ? 2 THR z C 1 +ATOM 48777 O O . THR MA 19 2 ? -10.789 62.267 29.728 1.00 142.89 ? 2 THR z O 1 +ATOM 48778 C CB . THR MA 19 2 ? -11.827 64.282 27.316 1.00 126.40 ? 2 THR z CB 1 +ATOM 48779 O OG1 . THR MA 19 2 ? -12.738 63.914 26.275 1.00 121.60 ? 2 THR z OG1 1 +ATOM 48780 C CG2 . THR MA 19 2 ? -10.438 63.732 26.994 1.00 122.11 ? 2 THR z CG2 1 +ATOM 48781 N N . ILE MA 19 3 ? -10.653 64.450 30.275 1.00 142.64 ? 3 ILE z N 1 +ATOM 48782 C CA . ILE MA 19 3 ? -9.574 64.230 31.234 1.00 143.87 ? 3 ILE z CA 1 +ATOM 48783 C C . ILE MA 19 3 ? -10.060 63.381 32.402 1.00 125.23 ? 3 ILE z C 1 +ATOM 48784 O O . ILE MA 19 3 ? -9.359 62.469 32.857 1.00 120.80 ? 3 ILE z O 1 +ATOM 48785 C CB . ILE MA 19 3 ? -9.000 65.584 31.701 1.00 144.70 ? 3 ILE z CB 1 +ATOM 48786 C CG1 . ILE MA 19 3 ? -8.594 65.534 33.184 1.00 148.52 ? 3 ILE z CG1 1 +ATOM 48787 C CG2 . ILE MA 19 3 ? -9.991 66.716 31.406 1.00 132.19 ? 3 ILE z CG2 1 +ATOM 48788 C CD1 . ILE MA 19 3 ? -9.601 66.169 34.159 1.00 153.44 ? 3 ILE z CD1 1 +ATOM 48789 N N . LEU MA 19 4 ? -11.268 63.663 32.903 1.00 128.80 ? 4 LEU z N 1 +ATOM 48790 C CA . LEU MA 19 4 ? -11.789 62.923 34.050 1.00 133.94 ? 4 LEU z CA 1 +ATOM 48791 C C . LEU MA 19 4 ? -12.091 61.475 33.674 1.00 132.98 ? 4 LEU z C 1 +ATOM 48792 O O . LEU MA 19 4 ? -11.888 60.558 34.482 1.00 113.74 ? 4 LEU z O 1 +ATOM 48793 C CB . LEU MA 19 4 ? -13.037 63.621 34.595 1.00 102.80 ? 4 LEU z CB 1 +ATOM 48794 C CG . LEU MA 19 4 ? -13.436 63.417 36.064 1.00 125.02 ? 4 LEU z CG 1 +ATOM 48795 C CD1 . LEU MA 19 4 ? -14.667 62.533 36.186 1.00 122.38 ? 4 LEU z CD1 1 +ATOM 48796 C CD2 . LEU MA 19 4 ? -12.287 62.861 36.902 1.00 120.36 ? 4 LEU z CD2 1 +ATOM 48797 N N . PHE MA 19 5 ? -12.568 61.253 32.447 1.00 131.02 ? 5 PHE z N 1 +ATOM 48798 C CA . PHE MA 19 5 ? -12.754 59.891 31.954 1.00 118.80 ? 5 PHE z CA 1 +ATOM 48799 C C . PHE MA 19 5 ? -11.416 59.186 31.783 1.00 85.55 ? 5 PHE z C 1 +ATOM 48800 O O . PHE MA 19 5 ? -11.231 58.064 32.261 1.00 100.61 ? 5 PHE z O 1 +ATOM 48801 C CB . PHE MA 19 5 ? -13.523 59.908 30.636 1.00 104.59 ? 5 PHE z CB 1 +ATOM 48802 C CG . PHE MA 19 5 ? -13.648 58.560 29.994 1.00 110.45 ? 5 PHE z CG 1 +ATOM 48803 C CD1 . PHE MA 19 5 ? -14.585 57.649 30.453 1.00 95.31 ? 5 PHE z CD1 1 +ATOM 48804 C CD2 . PHE MA 19 5 ? -12.833 58.206 28.926 1.00 108.94 ? 5 PHE z CD2 1 +ATOM 48805 C CE1 . PHE MA 19 5 ? -14.711 56.403 29.865 1.00 93.41 ? 5 PHE z CE1 1 +ATOM 48806 C CE2 . PHE MA 19 5 ? -12.950 56.961 28.329 1.00 102.94 ? 5 PHE z CE2 1 +ATOM 48807 C CZ . PHE MA 19 5 ? -13.891 56.055 28.804 1.00 97.31 ? 5 PHE z CZ 1 +ATOM 48808 N N . GLN MA 19 6 ? -10.466 59.836 31.107 1.00 103.79 ? 6 GLN z N 1 +ATOM 48809 C CA . GLN MA 19 6 ? -9.143 59.249 30.932 1.00 110.70 ? 6 GLN z CA 1 +ATOM 48810 C C . GLN MA 19 6 ? -8.437 59.000 32.254 1.00 113.84 ? 6 GLN z C 1 +ATOM 48811 O O . GLN MA 19 6 ? -7.577 58.115 32.324 1.00 111.95 ? 6 GLN z O 1 +ATOM 48812 C CB . GLN MA 19 6 ? -8.289 60.153 30.048 1.00 113.54 ? 6 GLN z CB 1 +ATOM 48813 C CG . GLN MA 19 6 ? -8.725 60.145 28.595 1.00 116.46 ? 6 GLN z CG 1 +ATOM 48814 C CD . GLN MA 19 6 ? -8.011 61.180 27.765 1.00 116.42 ? 6 GLN z CD 1 +ATOM 48815 O OE1 . GLN MA 19 6 ? -7.223 61.979 28.274 1.00 132.19 ? 6 GLN z OE1 1 +ATOM 48816 N NE2 . GLN MA 19 6 ? -8.288 61.175 26.475 1.00 127.40 ? 6 GLN z NE2 1 +ATOM 48817 N N . LEU MA 19 7 ? -8.794 59.747 33.302 1.00 114.45 ? 7 LEU z N 1 +ATOM 48818 C CA . LEU MA 19 7 ? -8.196 59.527 34.614 1.00 102.13 ? 7 LEU z CA 1 +ATOM 48819 C C . LEU MA 19 7 ? -8.750 58.268 35.266 1.00 97.86 ? 7 LEU z C 1 +ATOM 48820 O O . LEU MA 19 7 ? -7.989 57.449 35.798 1.00 96.57 ? 7 LEU z O 1 +ATOM 48821 C CB . LEU MA 19 7 ? -8.433 60.742 35.511 1.00 118.37 ? 7 LEU z CB 1 +ATOM 48822 C CG . LEU MA 19 7 ? -7.169 61.477 35.949 1.00 127.88 ? 7 LEU z CG 1 +ATOM 48823 C CD1 . LEU MA 19 7 ? -6.279 60.560 36.787 1.00 126.08 ? 7 LEU z CD1 1 +ATOM 48824 C CD2 . LEU MA 19 7 ? -6.422 62.005 34.736 1.00 100.86 ? 7 LEU z CD2 1 +ATOM 48825 N N . ALA MA 19 8 ? -10.079 58.105 35.255 1.00 85.96 ? 8 ALA z N 1 +ATOM 48826 C CA . ALA MA 19 8 ? -10.680 56.911 35.846 1.00 105.66 ? 8 ALA z CA 1 +ATOM 48827 C C . ALA MA 19 8 ? -10.203 55.649 35.133 1.00 105.54 ? 8 ALA z C 1 +ATOM 48828 O O . ALA MA 19 8 ? -9.933 54.625 35.775 1.00 89.43 ? 8 ALA z O 1 +ATOM 48829 C CB . ALA MA 19 8 ? -12.209 57.013 35.812 1.00 80.24 ? 8 ALA z CB 1 +ATOM 48830 N N . LEU MA 19 9 ? -10.070 55.714 33.802 1.00 97.58 ? 9 LEU z N 1 +ATOM 48831 C CA . LEU MA 19 9 ? -9.613 54.557 33.040 1.00 83.98 ? 9 LEU z CA 1 +ATOM 48832 C C . LEU MA 19 9 ? -8.139 54.268 33.314 1.00 96.97 ? 9 LEU z C 1 +ATOM 48833 O O . LEU MA 19 9 ? -7.756 53.108 33.515 1.00 87.63 ? 9 LEU z O 1 +ATOM 48834 C CB . LEU MA 19 9 ? -9.874 54.776 31.546 1.00 75.59 ? 9 LEU z CB 1 +ATOM 48835 C CG . LEU MA 19 9 ? -9.781 53.557 30.607 1.00 106.08 ? 9 LEU z CG 1 +ATOM 48836 C CD1 . LEU MA 19 9 ? -10.593 52.364 31.114 1.00 84.13 ? 9 LEU z CD1 1 +ATOM 48837 C CD2 . LEU MA 19 9 ? -10.224 53.913 29.190 1.00 94.72 ? 9 LEU z CD2 1 +ATOM 48838 N N . ALA MA 19 10 ? -7.299 55.307 33.354 1.00 92.17 ? 10 ALA z N 1 +ATOM 48839 C CA . ALA MA 19 10 ? -5.912 55.107 33.767 1.00 98.74 ? 10 ALA z CA 1 +ATOM 48840 C C . ALA MA 19 10 ? -5.823 54.556 35.189 1.00 103.02 ? 10 ALA z C 1 +ATOM 48841 O O . ALA MA 19 10 ? -4.901 53.794 35.507 1.00 89.90 ? 10 ALA z O 1 +ATOM 48842 C CB . ALA MA 19 10 ? -5.135 56.415 33.655 1.00 86.85 ? 10 ALA z CB 1 +ATOM 48843 N N . ALA MA 19 11 ? -6.766 54.921 36.055 1.00 89.99 ? 11 ALA z N 1 +ATOM 48844 C CA . ALA MA 19 11 ? -6.767 54.360 37.399 1.00 94.60 ? 11 ALA z CA 1 +ATOM 48845 C C . ALA MA 19 11 ? -7.099 52.879 37.351 1.00 94.08 ? 11 ALA z C 1 +ATOM 48846 O O . ALA MA 19 11 ? -6.412 52.055 37.968 1.00 84.39 ? 11 ALA z O 1 +ATOM 48847 C CB . ALA MA 19 11 ? -7.761 55.107 38.289 1.00 91.93 ? 11 ALA z CB 1 +ATOM 48848 N N . LEU MA 19 12 ? -8.156 52.530 36.612 1.00 83.48 ? 12 LEU z N 1 +ATOM 48849 C CA . LEU MA 19 12 ? -8.538 51.132 36.449 1.00 103.68 ? 12 LEU z CA 1 +ATOM 48850 C C . LEU MA 19 12 ? -7.395 50.299 35.879 1.00 86.98 ? 12 LEU z C 1 +ATOM 48851 O O . LEU MA 19 12 ? -7.175 49.159 36.303 1.00 79.45 ? 12 LEU z O 1 +ATOM 48852 C CB . LEU MA 19 12 ? -9.767 51.035 35.548 1.00 89.61 ? 12 LEU z CB 1 +ATOM 48853 C CG . LEU MA 19 12 ? -10.247 49.621 35.240 1.00 82.57 ? 12 LEU z CG 1 +ATOM 48854 C CD1 . LEU MA 19 12 ? -10.531 48.882 36.534 1.00 83.38 ? 12 LEU z CD1 1 +ATOM 48855 C CD2 . LEU MA 19 12 ? -11.481 49.660 34.355 1.00 82.00 ? 12 LEU z CD2 1 +ATOM 48856 N N . VAL MA 19 13 ? -6.646 50.856 34.930 1.00 75.83 ? 13 VAL z N 1 +ATOM 48857 C CA . VAL MA 19 13 ? -5.534 50.115 34.342 1.00 86.02 ? 13 VAL z CA 1 +ATOM 48858 C C . VAL MA 19 13 ? -4.448 49.864 35.386 1.00 79.66 ? 13 VAL z C 1 +ATOM 48859 O O . VAL MA 19 13 ? -3.935 48.746 35.507 1.00 93.82 ? 13 VAL z O 1 +ATOM 48860 C CB . VAL MA 19 13 ? -4.989 50.849 33.098 1.00 89.99 ? 13 VAL z CB 1 +ATOM 48861 C CG1 . VAL MA 19 13 ? -3.670 50.248 32.641 1.00 71.28 ? 13 VAL z CG1 1 +ATOM 48862 C CG2 . VAL MA 19 13 ? -6.008 50.811 31.951 1.00 80.69 ? 13 VAL z CG2 1 +ATOM 48863 N N . ILE MA 19 14 ? -4.099 50.888 36.173 1.00 98.23 ? 14 ILE z N 1 +ATOM 48864 C CA . ILE MA 19 14 ? -3.052 50.732 37.186 1.00 97.04 ? 14 ILE z CA 1 +ATOM 48865 C C . ILE MA 19 14 ? -3.505 49.792 38.299 1.00 87.01 ? 14 ILE z C 1 +ATOM 48866 O O . ILE MA 19 14 ? -2.757 48.904 38.726 1.00 81.71 ? 14 ILE z O 1 +ATOM 48867 C CB . ILE MA 19 14 ? -2.636 52.098 37.751 1.00 103.17 ? 14 ILE z CB 1 +ATOM 48868 C CG1 . ILE MA 19 14 ? -2.066 52.973 36.641 1.00 105.56 ? 14 ILE z CG1 1 +ATOM 48869 C CG2 . ILE MA 19 14 ? -1.596 51.914 38.843 1.00 91.42 ? 14 ILE z CG2 1 +ATOM 48870 C CD1 . ILE MA 19 14 ? -1.850 54.411 37.062 1.00 116.54 ? 14 ILE z CD1 1 +ATOM 48871 N N . LEU MA 19 15 ? -4.729 49.978 38.799 1.00 82.55 ? 15 LEU z N 1 +ATOM 48872 C CA . LEU MA 19 15 ? -5.238 49.066 39.819 1.00 85.54 ? 15 LEU z CA 1 +ATOM 48873 C C . LEU MA 19 15 ? -5.199 47.621 39.326 1.00 92.65 ? 15 LEU z C 1 +ATOM 48874 O O . LEU MA 19 15 ? -4.852 46.704 40.086 1.00 88.61 ? 15 LEU z O 1 +ATOM 48875 C CB . LEU MA 19 15 ? -6.658 49.472 40.228 1.00 82.06 ? 15 LEU z CB 1 +ATOM 48876 C CG . LEU MA 19 15 ? -7.414 48.587 41.232 1.00 87.79 ? 15 LEU z CG 1 +ATOM 48877 C CD1 . LEU MA 19 15 ? -6.678 48.470 42.552 1.00 80.75 ? 15 LEU z CD1 1 +ATOM 48878 C CD2 . LEU MA 19 15 ? -8.817 49.113 41.459 1.00 88.22 ? 15 LEU z CD2 1 +ATOM 48879 N N . SER MA 19 16 ? -5.528 47.406 38.046 1.00 100.29 ? 16 SER z N 1 +ATOM 48880 C CA . SER MA 19 16 ? -5.529 46.061 37.472 1.00 94.92 ? 16 SER z CA 1 +ATOM 48881 C C . SER MA 19 16 ? -4.126 45.463 37.468 1.00 79.16 ? 16 SER z C 1 +ATOM 48882 O O . SER MA 19 16 ? -3.928 44.306 37.855 1.00 70.97 ? 16 SER z O 1 +ATOM 48883 C CB . SER MA 19 16 ? -6.104 46.101 36.049 1.00 88.76 ? 16 SER z CB 1 +ATOM 48884 O OG . SER MA 19 16 ? -7.507 46.335 36.059 1.00 82.96 ? 16 SER z OG 1 +ATOM 48885 N N . PHE MA 19 17 ? -3.136 46.245 37.023 1.00 81.09 ? 17 PHE z N 1 +ATOM 48886 C CA . PHE MA 19 17 ? -1.752 45.787 37.036 1.00 74.12 ? 17 PHE z CA 1 +ATOM 48887 C C . PHE MA 19 17 ? -1.282 45.479 38.451 1.00 95.73 ? 17 PHE z C 1 +ATOM 48888 O O . PHE MA 19 17 ? -0.495 44.542 38.653 1.00 87.17 ? 17 PHE z O 1 +ATOM 48889 C CB . PHE MA 19 17 ? -0.859 46.846 36.388 1.00 77.00 ? 17 PHE z CB 1 +ATOM 48890 C CG . PHE MA 19 17 ? 0.522 46.363 36.073 1.00 94.18 ? 17 PHE z CG 1 +ATOM 48891 C CD1 . PHE MA 19 17 ? 0.800 45.777 34.847 1.00 98.39 ? 17 PHE z CD1 1 +ATOM 48892 C CD2 . PHE MA 19 17 ? 1.548 46.500 36.996 1.00 100.04 ? 17 PHE z CD2 1 +ATOM 48893 C CE1 . PHE MA 19 17 ? 2.074 45.329 34.542 1.00 97.69 ? 17 PHE z CE1 1 +ATOM 48894 C CE2 . PHE MA 19 17 ? 2.826 46.057 36.700 1.00 110.15 ? 17 PHE z CE2 1 +ATOM 48895 C CZ . PHE MA 19 17 ? 3.088 45.466 35.468 1.00 112.40 ? 17 PHE z CZ 1 +ATOM 48896 N N . VAL MA 19 18 ? -1.760 46.248 39.440 1.00 89.01 ? 18 VAL z N 1 +ATOM 48897 C CA . VAL MA 19 18 ? -1.432 45.972 40.836 1.00 81.27 ? 18 VAL z CA 1 +ATOM 48898 C C . VAL MA 19 18 ? -2.052 44.649 41.284 1.00 77.15 ? 18 VAL z C 1 +ATOM 48899 O O . VAL MA 19 18 ? -1.399 43.836 41.947 1.00 71.78 ? 18 VAL z O 1 +ATOM 48900 C CB . VAL MA 19 18 ? -1.870 47.154 41.729 1.00 97.65 ? 18 VAL z CB 1 +ATOM 48901 C CG1 . VAL MA 19 18 ? -1.904 46.750 43.211 1.00 72.60 ? 18 VAL z CG1 1 +ATOM 48902 C CG2 . VAL MA 19 18 ? -0.944 48.356 41.525 1.00 69.92 ? 18 VAL z CG2 1 +ATOM 48903 N N . MET MA 19 19 ? -3.324 44.419 40.937 1.00 75.49 ? 19 MET z N 1 +ATOM 48904 C CA . MET MA 19 19 ? -3.995 43.176 41.320 1.00 87.66 ? 19 MET z CA 1 +ATOM 48905 C C . MET MA 19 19 ? -3.412 41.966 40.598 1.00 95.44 ? 19 MET z C 1 +ATOM 48906 O O . MET MA 19 19 ? -3.415 40.851 41.134 1.00 81.08 ? 19 MET z O 1 +ATOM 48907 C CB . MET MA 19 19 ? -5.489 43.267 41.017 1.00 91.74 ? 19 MET z CB 1 +ATOM 48908 C CG . MET MA 19 19 ? -6.203 44.388 41.736 1.00 94.82 ? 19 MET z CG 1 +ATOM 48909 S SD . MET MA 19 19 ? -6.677 43.855 43.380 1.00 105.16 ? 19 MET z SD 1 +ATOM 48910 C CE . MET MA 19 19 ? -8.163 42.912 43.023 1.00 106.73 ? 19 MET z CE 1 +ATOM 48911 N N . VAL MA 19 20 ? -2.922 42.162 39.381 1.00 88.59 ? 20 VAL z N 1 +ATOM 48912 C CA . VAL MA 19 20 ? -2.408 41.036 38.613 1.00 91.65 ? 20 VAL z CA 1 +ATOM 48913 C C . VAL MA 19 20 ? -1.148 40.483 39.268 1.00 82.65 ? 20 VAL z C 1 +ATOM 48914 O O . VAL MA 19 20 ? -0.940 39.264 39.317 1.00 82.47 ? 20 VAL z O 1 +ATOM 48915 C CB . VAL MA 19 20 ? -2.169 41.465 37.151 1.00 84.68 ? 20 VAL z CB 1 +ATOM 48916 C CG1 . VAL MA 19 20 ? -1.064 40.641 36.522 1.00 87.35 ? 20 VAL z CG1 1 +ATOM 48917 C CG2 . VAL MA 19 20 ? -3.476 41.355 36.351 1.00 70.16 ? 20 VAL z CG2 1 +ATOM 48918 N N . ILE MA 19 21 ? -0.293 41.361 39.792 1.00 77.79 ? 21 ILE z N 1 +ATOM 48919 C CA . ILE MA 19 21 ? 0.857 40.861 40.534 1.00 88.78 ? 21 ILE z CA 1 +ATOM 48920 C C . ILE MA 19 21 ? 0.457 40.490 41.958 1.00 92.38 ? 21 ILE z C 1 +ATOM 48921 O O . ILE MA 19 21 ? 0.931 39.482 42.502 1.00 77.94 ? 21 ILE z O 1 +ATOM 48922 C CB . ILE MA 19 21 ? 1.995 41.892 40.527 1.00 92.57 ? 21 ILE z CB 1 +ATOM 48923 C CG1 . ILE MA 19 21 ? 2.435 42.195 39.092 1.00 80.49 ? 21 ILE z CG1 1 +ATOM 48924 C CG2 . ILE MA 19 21 ? 3.154 41.396 41.402 1.00 82.43 ? 21 ILE z CG2 1 +ATOM 48925 C CD1 . ILE MA 19 21 ? 3.909 42.532 38.953 1.00 87.69 ? 21 ILE z CD1 1 +ATOM 48926 N N . GLY MA 19 22 ? -0.448 41.263 42.556 1.00 83.54 ? 22 GLY z N 1 +ATOM 48927 C CA . GLY MA 19 22 ? -0.727 41.174 43.976 1.00 83.09 ? 22 GLY z CA 1 +ATOM 48928 C C . GLY MA 19 22 ? -1.541 39.991 44.449 1.00 83.64 ? 22 GLY z C 1 +ATOM 48929 O O . GLY MA 19 22 ? -1.211 39.384 45.469 1.00 77.31 ? 22 GLY z O 1 +ATOM 48930 N N . VAL MA 19 23 ? -2.618 39.658 43.733 1.00 82.18 ? 23 VAL z N 1 +ATOM 48931 C CA . VAL MA 19 23 ? -3.491 38.569 44.177 1.00 82.67 ? 23 VAL z CA 1 +ATOM 48932 C C . VAL MA 19 23 ? -2.762 37.229 44.208 1.00 91.13 ? 23 VAL z C 1 +ATOM 48933 O O . VAL MA 19 23 ? -2.864 36.522 45.223 1.00 92.63 ? 23 VAL z O 1 +ATOM 48934 C CB . VAL MA 19 23 ? -4.777 38.537 43.335 1.00 78.11 ? 23 VAL z CB 1 +ATOM 48935 C CG1 . VAL MA 19 23 ? -5.682 37.424 43.801 1.00 90.24 ? 23 VAL z CG1 1 +ATOM 48936 C CG2 . VAL MA 19 23 ? -5.494 39.855 43.438 1.00 92.77 ? 23 VAL z CG2 1 +ATOM 48937 N N . PRO MA 19 24 ? -2.031 36.814 43.164 1.00 94.43 ? 24 PRO z N 1 +ATOM 48938 C CA . PRO MA 19 24 ? -1.360 35.502 43.259 1.00 97.91 ? 24 PRO z CA 1 +ATOM 48939 C C . PRO MA 19 24 ? -0.304 35.444 44.346 1.00 86.63 ? 24 PRO z C 1 +ATOM 48940 O O . PRO MA 19 24 ? -0.121 34.390 44.973 1.00 75.67 ? 24 PRO z O 1 +ATOM 48941 C CB . PRO MA 19 24 ? -0.751 35.308 41.859 1.00 76.81 ? 24 PRO z CB 1 +ATOM 48942 C CG . PRO MA 19 24 ? -0.680 36.665 41.279 1.00 88.69 ? 24 PRO z CG 1 +ATOM 48943 C CD . PRO MA 19 24 ? -1.864 37.404 41.827 1.00 81.92 ? 24 PRO z CD 1 +ATOM 48944 N N . VAL MA 19 25 ? 0.414 36.543 44.579 1.00 75.96 ? 25 VAL z N 1 +ATOM 48945 C CA . VAL MA 19 25 ? 1.430 36.533 45.623 1.00 100.00 ? 25 VAL z CA 1 +ATOM 48946 C C . VAL MA 19 25 ? 0.776 36.413 46.992 1.00 87.42 ? 25 VAL z C 1 +ATOM 48947 O O . VAL MA 19 25 ? 1.262 35.687 47.864 1.00 89.77 ? 25 VAL z O 1 +ATOM 48948 C CB . VAL MA 19 25 ? 2.322 37.781 45.519 1.00 92.04 ? 25 VAL z CB 1 +ATOM 48949 C CG1 . VAL MA 19 25 ? 3.123 37.970 46.795 1.00 83.35 ? 25 VAL z CG1 1 +ATOM 48950 C CG2 . VAL MA 19 25 ? 3.253 37.631 44.339 1.00 84.12 ? 25 VAL z CG2 1 +ATOM 48951 N N . ALA MA 19 26 ? -0.361 37.085 47.182 1.00 86.05 ? 26 ALA z N 1 +ATOM 48952 C CA . ALA MA 19 26 ? -1.110 36.943 48.424 1.00 93.02 ? 26 ALA z CA 1 +ATOM 48953 C C . ALA MA 19 26 ? -1.619 35.519 48.597 1.00 85.70 ? 26 ALA z C 1 +ATOM 48954 O O . ALA MA 19 26 ? -1.464 34.918 49.665 1.00 100.40 ? 26 ALA z O 1 +ATOM 48955 C CB . ALA MA 19 26 ? -2.271 37.937 48.451 1.00 82.28 ? 26 ALA z CB 1 +ATOM 48956 N N . TYR MA 19 27 ? -2.221 34.958 47.548 1.00 94.49 ? 27 TYR z N 1 +ATOM 48957 C CA . TYR MA 19 27 ? -2.846 33.642 47.661 1.00 98.16 ? 27 TYR z CA 1 +ATOM 48958 C C . TYR MA 19 27 ? -1.851 32.553 48.040 1.00 88.66 ? 27 TYR z C 1 +ATOM 48959 O O . TYR MA 19 27 ? -2.242 31.533 48.619 1.00 83.59 ? 27 TYR z O 1 +ATOM 48960 C CB . TYR MA 19 27 ? -3.537 33.283 46.347 1.00 83.06 ? 27 TYR z CB 1 +ATOM 48961 C CG . TYR MA 19 27 ? -4.963 33.760 46.265 1.00 98.59 ? 27 TYR z CG 1 +ATOM 48962 C CD1 . TYR MA 19 27 ? -5.618 34.255 47.388 1.00 90.81 ? 27 TYR z CD1 1 +ATOM 48963 C CD2 . TYR MA 19 27 ? -5.661 33.707 45.068 1.00 86.00 ? 27 TYR z CD2 1 +ATOM 48964 C CE1 . TYR MA 19 27 ? -6.928 34.690 47.317 1.00 89.17 ? 27 TYR z CE1 1 +ATOM 48965 C CE2 . TYR MA 19 27 ? -6.971 34.136 44.988 1.00 93.99 ? 27 TYR z CE2 1 +ATOM 48966 C CZ . TYR MA 19 27 ? -7.599 34.628 46.112 1.00 98.32 ? 27 TYR z CZ 1 +ATOM 48967 O OH . TYR MA 19 27 ? -8.904 35.052 46.021 1.00 107.29 ? 27 TYR z OH 1 +ATOM 48968 N N . ALA MA 19 28 ? -0.574 32.743 47.729 1.00 85.05 ? 28 ALA z N 1 +ATOM 48969 C CA . ALA MA 19 28 ? 0.423 31.699 47.897 1.00 92.79 ? 28 ALA z CA 1 +ATOM 48970 C C . ALA MA 19 28 ? 1.474 32.054 48.939 1.00 83.17 ? 28 ALA z C 1 +ATOM 48971 O O . ALA MA 19 28 ? 2.467 31.327 49.075 1.00 81.69 ? 28 ALA z O 1 +ATOM 48972 C CB . ALA MA 19 28 ? 1.090 31.393 46.553 1.00 74.91 ? 28 ALA z CB 1 +ATOM 48973 N N . SER MA 19 29 ? 1.293 33.173 49.666 1.00 93.47 ? 29 SER z N 1 +ATOM 48974 C CA . SER MA 19 29 ? 2.184 33.520 50.770 1.00 104.80 ? 29 SER z CA 1 +ATOM 48975 C C . SER MA 19 29 ? 1.554 33.125 52.094 1.00 118.40 ? 29 SER z C 1 +ATOM 48976 O O . SER MA 19 29 ? 0.362 33.400 52.315 1.00 97.87 ? 29 SER z O 1 +ATOM 48977 C CB . SER MA 19 29 ? 2.499 35.010 50.776 1.00 90.87 ? 29 SER z CB 1 +ATOM 48978 O OG . SER MA 19 29 ? 3.601 35.287 49.928 1.00 104.33 ? 29 SER z OG 1 +ATOM 48979 N N . PRO MA 19 30 ? 2.327 32.481 52.987 1.00 152.97 ? 30 PRO z N 1 +ATOM 48980 C CA . PRO MA 19 30 ? 1.783 32.046 54.286 1.00 154.00 ? 30 PRO z CA 1 +ATOM 48981 C C . PRO MA 19 30 ? 1.448 33.203 55.220 1.00 157.80 ? 30 PRO z C 1 +ATOM 48982 O O . PRO MA 19 30 ? 0.277 33.571 55.373 1.00 151.39 ? 30 PRO z O 1 +ATOM 48983 C CB . PRO MA 19 30 ? 2.910 31.178 54.866 1.00 150.36 ? 30 PRO z CB 1 +ATOM 48984 C CG . PRO MA 19 30 ? 3.834 30.881 53.708 1.00 147.20 ? 30 PRO z CG 1 +ATOM 48985 C CD . PRO MA 19 30 ? 3.723 32.051 52.792 1.00 106.84 ? 30 PRO z CD 1 +ATOM 48986 N N . GLN MA 19 31 ? 2.466 33.773 55.864 1.00 138.03 ? 31 GLN z N 1 +ATOM 48987 C CA . GLN MA 19 31 ? 2.234 34.891 56.763 1.00 138.77 ? 31 GLN z CA 1 +ATOM 48988 C C . GLN MA 19 31 ? 1.797 36.124 55.976 1.00 140.58 ? 31 GLN z C 1 +ATOM 48989 O O . GLN MA 19 31 ? 2.049 36.255 54.774 1.00 141.38 ? 31 GLN z O 1 +ATOM 48990 C CB . GLN MA 19 31 ? 3.486 35.196 57.589 1.00 157.22 ? 31 GLN z CB 1 +ATOM 48991 C CG . GLN MA 19 31 ? 3.720 34.244 58.770 1.00 166.83 ? 31 GLN z CG 1 +ATOM 48992 C CD . GLN MA 19 31 ? 2.835 34.544 59.976 1.00 164.78 ? 31 GLN z CD 1 +ATOM 48993 O OE1 . GLN MA 19 31 ? 2.061 35.501 59.973 1.00 167.79 ? 31 GLN z OE1 1 +ATOM 48994 N NE2 . GLN MA 19 31 ? 2.954 33.725 61.016 1.00 147.95 ? 31 GLN z NE2 1 +ATOM 48995 N N . ASP MA 19 32 ? 1.140 37.040 56.685 1.00 194.74 ? 32 ASP z N 1 +ATOM 48996 C CA . ASP MA 19 32 ? 0.427 38.158 56.070 1.00 197.36 ? 32 ASP z CA 1 +ATOM 48997 C C . ASP MA 19 32 ? -0.612 37.639 55.077 1.00 191.33 ? 32 ASP z C 1 +ATOM 48998 O O . ASP MA 19 32 ? -0.639 38.025 53.907 1.00 198.53 ? 32 ASP z O 1 +ATOM 48999 C CB . ASP MA 19 32 ? 1.387 39.151 55.403 1.00 217.59 ? 32 ASP z CB 1 +ATOM 49000 C CG . ASP MA 19 32 ? 1.145 40.594 55.847 1.00 226.85 ? 32 ASP z CG 1 +ATOM 49001 O OD1 . ASP MA 19 32 ? 0.506 40.799 56.903 1.00 202.99 ? 32 ASP z OD1 1 +ATOM 49002 O OD2 . ASP MA 19 32 ? 1.593 41.523 55.135 1.00 220.45 ? 32 ASP z OD2 1 +ATOM 49003 N N . TRP MA 19 33 ? -1.458 36.723 55.553 1.00 142.51 ? 33 TRP z N 1 +ATOM 49004 C CA . TRP MA 19 33 ? -2.641 36.324 54.801 1.00 134.29 ? 33 TRP z CA 1 +ATOM 49005 C C . TRP MA 19 33 ? -3.888 37.068 55.261 1.00 131.39 ? 33 TRP z C 1 +ATOM 49006 O O . TRP MA 19 33 ? -4.792 37.315 54.453 1.00 120.61 ? 33 TRP z O 1 +ATOM 49007 C CB . TRP MA 19 33 ? -2.867 34.814 54.913 1.00 105.61 ? 33 TRP z CB 1 +ATOM 49008 C CG . TRP MA 19 33 ? -4.266 34.403 54.561 1.00 122.77 ? 33 TRP z CG 1 +ATOM 49009 C CD1 . TRP MA 19 33 ? -5.174 33.818 55.389 1.00 135.44 ? 33 TRP z CD1 1 +ATOM 49010 C CD2 . TRP MA 19 33 ? -4.925 34.569 53.295 1.00 125.06 ? 33 TRP z CD2 1 +ATOM 49011 N NE1 . TRP MA 19 33 ? -6.355 33.596 54.719 1.00 124.31 ? 33 TRP z NE1 1 +ATOM 49012 C CE2 . TRP MA 19 33 ? -6.229 34.050 53.433 1.00 120.97 ? 33 TRP z CE2 1 +ATOM 49013 C CE3 . TRP MA 19 33 ? -4.540 35.106 52.063 1.00 118.88 ? 33 TRP z CE3 1 +ATOM 49014 C CZ2 . TRP MA 19 33 ? -7.150 34.048 52.384 1.00 123.16 ? 33 TRP z CZ2 1 +ATOM 49015 C CZ3 . TRP MA 19 33 ? -5.460 35.108 51.021 1.00 109.72 ? 33 TRP z CZ3 1 +ATOM 49016 C CH2 . TRP MA 19 33 ? -6.750 34.582 51.190 1.00 110.75 ? 33 TRP z CH2 1 +ATOM 49017 N N . ASP MA 19 34 ? -3.949 37.451 56.537 1.00 135.54 ? 34 ASP z N 1 +ATOM 49018 C CA . ASP MA 19 34 ? -5.087 38.218 57.032 1.00 116.98 ? 34 ASP z CA 1 +ATOM 49019 C C . ASP MA 19 34 ? -5.028 39.669 56.565 1.00 135.35 ? 34 ASP z C 1 +ATOM 49020 O O . ASP MA 19 34 ? -6.055 40.243 56.181 1.00 117.68 ? 34 ASP z O 1 +ATOM 49021 C CB . ASP MA 19 34 ? -5.137 38.140 58.555 1.00 139.92 ? 34 ASP z CB 1 +ATOM 49022 C CG . ASP MA 19 34 ? -4.938 36.728 59.069 1.00 150.21 ? 34 ASP z CG 1 +ATOM 49023 O OD1 . ASP MA 19 34 ? -4.776 35.803 58.243 1.00 160.39 ? 34 ASP z OD1 1 +ATOM 49024 O OD2 . ASP MA 19 34 ? -4.939 36.544 60.303 1.00 162.54 ? 34 ASP z OD2 1 +ATOM 49025 N N . ARG MA 19 35 ? -3.840 40.283 56.600 1.00 123.04 ? 35 ARG z N 1 +ATOM 49026 C CA . ARG MA 19 35 ? -3.665 41.565 55.926 1.00 127.84 ? 35 ARG z CA 1 +ATOM 49027 C C . ARG MA 19 35 ? -3.916 41.422 54.430 1.00 145.33 ? 35 ARG z C 1 +ATOM 49028 O O . ARG MA 19 35 ? -4.479 42.325 53.796 1.00 136.29 ? 35 ARG z O 1 +ATOM 49029 C CB . ARG MA 19 35 ? -2.264 42.118 56.195 1.00 125.71 ? 35 ARG z CB 1 +ATOM 49030 C CG . ARG MA 19 35 ? -1.648 42.879 55.022 1.00 140.83 ? 35 ARG z CG 1 +ATOM 49031 C CD . ARG MA 19 35 ? -0.616 43.901 55.481 1.00 156.93 ? 35 ARG z CD 1 +ATOM 49032 N NE . ARG MA 19 35 ? -1.232 45.026 56.178 1.00 189.60 ? 35 ARG z NE 1 +ATOM 49033 C CZ . ARG MA 19 35 ? -1.443 46.223 55.644 1.00 177.93 ? 35 ARG z CZ 1 +ATOM 49034 N NH1 . ARG MA 19 35 ? -1.074 46.501 54.403 1.00 167.68 ? 35 ARG z NH1 1 +ATOM 49035 N NH2 . ARG MA 19 35 ? -2.036 47.165 56.374 1.00 152.55 ? 35 ARG z NH2 1 +ATOM 49036 N N . SER MA 19 36 ? -3.521 40.284 53.852 1.00 137.04 ? 36 SER z N 1 +ATOM 49037 C CA . SER MA 19 36 ? -3.790 40.022 52.443 1.00 121.92 ? 36 SER z CA 1 +ATOM 49038 C C . SER MA 19 36 ? -5.287 40.010 52.168 1.00 117.70 ? 36 SER z C 1 +ATOM 49039 O O . SER MA 19 36 ? -5.782 40.760 51.318 1.00 107.76 ? 36 SER z O 1 +ATOM 49040 C CB . SER MA 19 36 ? -3.161 38.690 52.023 1.00 112.89 ? 36 SER z CB 1 +ATOM 49041 O OG . SER MA 19 36 ? -1.751 38.712 52.157 1.00 122.97 ? 36 SER z OG 1 +ATOM 49042 N N . LYS MA 19 37 ? -6.028 39.169 52.901 1.00 101.85 ? 37 LYS z N 1 +ATOM 49043 C CA . LYS MA 19 37 ? -7.428 38.917 52.567 1.00 97.23 ? 37 LYS z CA 1 +ATOM 49044 C C . LYS MA 19 37 ? -8.251 40.200 52.578 1.00 116.06 ? 37 LYS z C 1 +ATOM 49045 O O . LYS MA 19 37 ? -9.146 40.376 51.744 1.00 104.85 ? 37 LYS z O 1 +ATOM 49046 C CB . LYS MA 19 37 ? -8.023 37.887 53.529 1.00 118.66 ? 37 LYS z CB 1 +ATOM 49047 C CG . LYS MA 19 37 ? -9.470 37.515 53.214 1.00 116.66 ? 37 LYS z CG 1 +ATOM 49048 C CD . LYS MA 19 37 ? -10.016 36.471 54.180 1.00 112.94 ? 37 LYS z CD 1 +ATOM 49049 C CE . LYS MA 19 37 ? -11.502 36.230 53.942 1.00 119.99 ? 37 LYS z CE 1 +ATOM 49050 N NZ . LYS MA 19 37 ? -12.076 35.212 54.869 1.00 143.86 ? 37 LYS z NZ 1 +ATOM 49051 N N . GLN MA 19 38 ? -7.955 41.118 53.500 1.00 116.48 ? 38 GLN z N 1 +ATOM 49052 C CA . GLN MA 19 38 ? -8.716 42.362 53.550 1.00 117.52 ? 38 GLN z CA 1 +ATOM 49053 C C . GLN MA 19 38 ? -8.312 43.313 52.426 1.00 97.95 ? 38 GLN z C 1 +ATOM 49054 O O . GLN MA 19 38 ? -9.165 44.012 51.866 1.00 90.06 ? 38 GLN z O 1 +ATOM 49055 C CB . GLN MA 19 38 ? -8.549 43.032 54.918 1.00 135.13 ? 38 GLN z CB 1 +ATOM 49056 C CG . GLN MA 19 38 ? -9.465 44.239 55.121 1.00 157.09 ? 38 GLN z CG 1 +ATOM 49057 C CD . GLN MA 19 38 ? -9.264 44.920 56.462 1.00 162.29 ? 38 GLN z CD 1 +ATOM 49058 O OE1 . GLN MA 19 38 ? -9.057 44.259 57.482 1.00 157.87 ? 38 GLN z OE1 1 +ATOM 49059 N NE2 . GLN MA 19 38 ? -9.322 46.252 56.467 1.00 154.49 ? 38 GLN z NE2 1 +ATOM 49060 N N . LEU MA 19 39 ? -7.022 43.355 52.085 1.00 93.89 ? 39 LEU z N 1 +ATOM 49061 C CA . LEU MA 19 39 ? -6.577 44.167 50.957 1.00 99.87 ? 39 LEU z CA 1 +ATOM 49062 C C . LEU MA 19 39 ? -7.216 43.696 49.652 1.00 111.92 ? 39 LEU z C 1 +ATOM 49063 O O . LEU MA 19 39 ? -7.672 44.510 48.839 1.00 93.89 ? 39 LEU z O 1 +ATOM 49064 C CB . LEU MA 19 39 ? -5.055 44.120 50.853 1.00 95.35 ? 39 LEU z CB 1 +ATOM 49065 C CG . LEU MA 19 39 ? -4.263 44.942 51.863 1.00 110.42 ? 39 LEU z CG 1 +ATOM 49066 C CD1 . LEU MA 19 39 ? -2.786 44.601 51.780 1.00 116.82 ? 39 LEU z CD1 1 +ATOM 49067 C CD2 . LEU MA 19 39 ? -4.487 46.423 51.621 1.00 101.22 ? 39 LEU z CD2 1 +ATOM 49068 N N . ILE MA 19 40 ? -7.247 42.378 49.435 1.00 98.56 ? 40 ILE z N 1 +ATOM 49069 C CA . ILE MA 19 40 ? -7.835 41.826 48.217 1.00 95.97 ? 40 ILE z CA 1 +ATOM 49070 C C . ILE MA 19 40 ? -9.321 42.153 48.151 1.00 97.15 ? 40 ILE z C 1 +ATOM 49071 O O . ILE MA 19 40 ? -9.841 42.528 47.093 1.00 94.24 ? 40 ILE z O 1 +ATOM 49072 C CB . ILE MA 19 40 ? -7.581 40.306 48.146 1.00 90.17 ? 40 ILE z CB 1 +ATOM 49073 C CG1 . ILE MA 19 40 ? -6.081 40.018 48.020 1.00 81.10 ? 40 ILE z CG1 1 +ATOM 49074 C CG2 . ILE MA 19 40 ? -8.361 39.670 46.996 1.00 93.24 ? 40 ILE z CG2 1 +ATOM 49075 C CD1 . ILE MA 19 40 ? -5.732 38.549 48.143 1.00 86.49 ? 40 ILE z CD1 1 +ATOM 49076 N N . PHE MA 19 41 ? -10.026 42.015 49.277 1.00 87.04 ? 41 PHE z N 1 +ATOM 49077 C CA . PHE MA 19 41 ? -11.416 42.455 49.345 1.00 107.85 ? 41 PHE z CA 1 +ATOM 49078 C C . PHE MA 19 41 ? -11.563 43.896 48.872 1.00 100.70 ? 41 PHE z C 1 +ATOM 49079 O O . PHE MA 19 41 ? -12.504 44.228 48.145 1.00 106.33 ? 41 PHE z O 1 +ATOM 49080 C CB . PHE MA 19 41 ? -11.943 42.324 50.776 1.00 109.41 ? 41 PHE z CB 1 +ATOM 49081 C CG . PHE MA 19 41 ? -12.666 41.036 51.055 1.00 127.86 ? 41 PHE z CG 1 +ATOM 49082 C CD1 . PHE MA 19 41 ? -13.800 40.690 50.337 1.00 125.95 ? 41 PHE z CD1 1 +ATOM 49083 C CD2 . PHE MA 19 41 ? -12.236 40.190 52.070 1.00 135.33 ? 41 PHE z CD2 1 +ATOM 49084 C CE1 . PHE MA 19 41 ? -14.479 39.506 50.606 1.00 134.63 ? 41 PHE z CE1 1 +ATOM 49085 C CE2 . PHE MA 19 41 ? -12.909 39.006 52.346 1.00 145.69 ? 41 PHE z CE2 1 +ATOM 49086 C CZ . PHE MA 19 41 ? -14.033 38.661 51.612 1.00 128.36 ? 41 PHE z CZ 1 +ATOM 49087 N N . LEU MA 19 42 ? -10.628 44.764 49.261 1.00 93.34 ? 42 LEU z N 1 +ATOM 49088 C CA . LEU MA 19 42 ? -10.764 46.190 48.978 1.00 102.38 ? 42 LEU z CA 1 +ATOM 49089 C C . LEU MA 19 42 ? -10.368 46.517 47.543 1.00 113.79 ? 42 LEU z C 1 +ATOM 49090 O O . LEU MA 19 42 ? -11.061 47.283 46.857 1.00 94.43 ? 42 LEU z O 1 +ATOM 49091 C CB . LEU MA 19 42 ? -9.923 47.003 49.963 1.00 87.55 ? 42 LEU z CB 1 +ATOM 49092 C CG . LEU MA 19 42 ? -10.544 47.359 51.319 1.00 143.44 ? 42 LEU z CG 1 +ATOM 49093 C CD1 . LEU MA 19 42 ? -11.565 46.321 51.809 1.00 132.00 ? 42 LEU z CD1 1 +ATOM 49094 C CD2 . LEU MA 19 42 ? -9.440 47.544 52.356 1.00 144.15 ? 42 LEU z CD2 1 +ATOM 49095 N N . GLY MA 19 43 ? -9.243 45.966 47.080 1.00 101.20 ? 43 GLY z N 1 +ATOM 49096 C CA . GLY MA 19 43 ? -8.892 46.106 45.676 1.00 105.57 ? 43 GLY z CA 1 +ATOM 49097 C C . GLY MA 19 43 ? -9.999 45.634 44.755 1.00 82.52 ? 43 GLY z C 1 +ATOM 49098 O O . GLY MA 19 43 ? -10.283 46.265 43.735 1.00 94.65 ? 43 GLY z O 1 +ATOM 49099 N N . SER MA 19 44 ? -10.662 44.532 45.121 1.00 92.03 ? 44 SER z N 1 +ATOM 49100 C CA . SER MA 19 44 ? -11.718 43.976 44.282 1.00 90.71 ? 44 SER z CA 1 +ATOM 49101 C C . SER MA 19 44 ? -12.906 44.922 44.193 1.00 80.73 ? 44 SER z C 1 +ATOM 49102 O O . SER MA 19 44 ? -13.401 45.213 43.098 1.00 102.88 ? 44 SER z O 1 +ATOM 49103 C CB . SER MA 19 44 ? -12.151 42.611 44.816 1.00 79.38 ? 44 SER z CB 1 +ATOM 49104 O OG . SER MA 19 44 ? -11.073 41.699 44.754 1.00 90.02 ? 44 SER z OG 1 +ATOM 49105 N N . GLY MA 19 45 ? -13.377 45.417 45.337 1.00 99.70 ? 45 GLY z N 1 +ATOM 49106 C CA . GLY MA 19 45 ? -14.459 46.388 45.318 1.00 72.33 ? 45 GLY z CA 1 +ATOM 49107 C C . GLY MA 19 45 ? -14.077 47.663 44.593 1.00 83.73 ? 45 GLY z C 1 +ATOM 49108 O O . GLY MA 19 45 ? -14.883 48.235 43.853 1.00 92.59 ? 45 GLY z O 1 +ATOM 49109 N N . LEU MA 19 46 ? -12.841 48.126 44.790 1.00 86.54 ? 46 LEU z N 1 +ATOM 49110 C CA . LEU MA 19 46 ? -12.394 49.315 44.072 1.00 81.60 ? 46 LEU z CA 1 +ATOM 49111 C C . LEU MA 19 46 ? -12.362 49.057 42.571 1.00 99.62 ? 46 LEU z C 1 +ATOM 49112 O O . LEU MA 19 46 ? -12.751 49.921 41.774 1.00 93.97 ? 46 LEU z O 1 +ATOM 49113 C CB . LEU MA 19 46 ? -11.021 49.749 44.582 1.00 82.08 ? 46 LEU z CB 1 +ATOM 49114 C CG . LEU MA 19 46 ? -10.511 51.060 43.976 1.00 118.35 ? 46 LEU z CG 1 +ATOM 49115 C CD1 . LEU MA 19 46 ? -11.521 52.184 44.204 1.00 101.83 ? 46 LEU z CD1 1 +ATOM 49116 C CD2 . LEU MA 19 46 ? -9.128 51.439 44.514 1.00 100.73 ? 46 LEU z CD2 1 +ATOM 49117 N N . TRP MA 19 47 ? -11.921 47.860 42.168 1.00 98.44 ? 47 TRP z N 1 +ATOM 49118 C CA . TRP MA 19 47 ? -11.890 47.494 40.753 1.00 92.44 ? 47 TRP z CA 1 +ATOM 49119 C C . TRP MA 19 47 ? -13.293 47.507 40.153 1.00 86.26 ? 47 TRP z C 1 +ATOM 49120 O O . TRP MA 19 47 ? -13.555 48.215 39.174 1.00 77.58 ? 47 TRP z O 1 +ATOM 49121 C CB . TRP MA 19 47 ? -11.235 46.119 40.590 1.00 90.66 ? 47 TRP z CB 1 +ATOM 49122 C CG . TRP MA 19 47 ? -10.928 45.736 39.162 1.00 100.33 ? 47 TRP z CG 1 +ATOM 49123 C CD1 . TRP MA 19 47 ? -9.786 46.016 38.461 1.00 90.12 ? 47 TRP z CD1 1 +ATOM 49124 C CD2 . TRP MA 19 47 ? -11.773 44.994 38.270 1.00 70.02 ? 47 TRP z CD2 1 +ATOM 49125 N NE1 . TRP MA 19 47 ? -9.872 45.497 37.191 1.00 84.55 ? 47 TRP z NE1 1 +ATOM 49126 C CE2 . TRP MA 19 47 ? -11.080 44.863 37.051 1.00 88.52 ? 47 TRP z CE2 1 +ATOM 49127 C CE3 . TRP MA 19 47 ? -13.043 44.424 38.388 1.00 81.55 ? 47 TRP z CE3 1 +ATOM 49128 C CZ2 . TRP MA 19 47 ? -11.621 44.191 35.956 1.00 82.92 ? 47 TRP z CZ2 1 +ATOM 49129 C CZ3 . TRP MA 19 47 ? -13.577 43.759 37.304 1.00 81.04 ? 47 TRP z CZ3 1 +ATOM 49130 C CH2 . TRP MA 19 47 ? -12.868 43.644 36.105 1.00 73.29 ? 47 TRP z CH2 1 +ATOM 49131 N N . ILE MA 19 48 ? -14.213 46.730 40.742 1.00 81.59 ? 48 ILE z N 1 +ATOM 49132 C CA . ILE MA 19 48 ? -15.613 46.763 40.316 1.00 77.85 ? 48 ILE z CA 1 +ATOM 49133 C C . ILE MA 19 48 ? -16.144 48.188 40.282 1.00 98.83 ? 48 ILE z C 1 +ATOM 49134 O O . ILE MA 19 48 ? -16.944 48.543 39.405 1.00 102.14 ? 48 ILE z O 1 +ATOM 49135 C CB . ILE MA 19 48 ? -16.476 45.885 41.235 1.00 83.25 ? 48 ILE z CB 1 +ATOM 49136 C CG1 . ILE MA 19 48 ? -15.925 44.470 41.310 1.00 91.40 ? 48 ILE z CG1 1 +ATOM 49137 C CG2 . ILE MA 19 48 ? -17.908 45.842 40.734 1.00 93.90 ? 48 ILE z CG2 1 +ATOM 49138 C CD1 . ILE MA 19 48 ? -16.868 43.516 42.000 1.00 103.37 ? 48 ILE z CD1 1 +ATOM 49139 N N . ALA MA 19 49 ? -15.702 49.031 41.220 1.00 83.32 ? 49 ALA z N 1 +ATOM 49140 C CA . ALA MA 19 49 ? -16.207 50.394 41.285 1.00 82.33 ? 49 ALA z CA 1 +ATOM 49141 C C . ALA MA 19 49 ? -15.736 51.216 40.090 1.00 82.30 ? 49 ALA z C 1 +ATOM 49142 O O . ALA MA 19 49 ? -16.540 51.885 39.427 1.00 73.74 ? 49 ALA z O 1 +ATOM 49143 C CB . ALA MA 19 49 ? -15.776 51.045 42.605 1.00 95.49 ? 49 ALA z CB 1 +ATOM 49144 N N . LEU MA 19 50 ? -14.430 51.188 39.808 1.00 82.05 ? 50 LEU z N 1 +ATOM 49145 C CA . LEU MA 19 50 ? -13.907 51.931 38.665 1.00 90.14 ? 50 LEU z CA 1 +ATOM 49146 C C . LEU MA 19 50 ? -14.498 51.429 37.347 1.00 95.84 ? 50 LEU z C 1 +ATOM 49147 O O . LEU MA 19 50 ? -14.774 52.229 36.444 1.00 96.31 ? 50 LEU z O 1 +ATOM 49148 C CB . LEU MA 19 50 ? -12.382 51.847 38.639 1.00 92.66 ? 50 LEU z CB 1 +ATOM 49149 C CG . LEU MA 19 50 ? -11.599 52.789 39.555 1.00 103.47 ? 50 LEU z CG 1 +ATOM 49150 C CD1 . LEU MA 19 50 ? -10.215 52.214 39.816 1.00 107.75 ? 50 LEU z CD1 1 +ATOM 49151 C CD2 . LEU MA 19 50 ? -11.492 54.204 38.965 1.00 84.43 ? 50 LEU z CD2 1 +ATOM 49152 N N . VAL MA 19 51 ? -14.697 50.111 37.214 1.00 92.34 ? 51 VAL z N 1 +ATOM 49153 C CA . VAL MA 19 51 ? -15.322 49.562 36.006 1.00 91.12 ? 51 VAL z CA 1 +ATOM 49154 C C . VAL MA 19 51 ? -16.716 50.143 35.819 1.00 82.13 ? 51 VAL z C 1 +ATOM 49155 O O . VAL MA 19 51 ? -17.073 50.613 34.733 1.00 85.70 ? 51 VAL z O 1 +ATOM 49156 C CB . VAL MA 19 51 ? -15.368 48.021 36.060 1.00 89.64 ? 51 VAL z CB 1 +ATOM 49157 C CG1 . VAL MA 19 51 ? -16.329 47.481 34.998 1.00 77.32 ? 51 VAL z CG1 1 +ATOM 49158 C CG2 . VAL MA 19 51 ? -13.976 47.426 35.885 1.00 79.15 ? 51 VAL z CG2 1 +ATOM 49159 N N . LEU MA 19 52 ? -17.535 50.101 36.870 1.00 89.56 ? 52 LEU z N 1 +ATOM 49160 C CA . LEU MA 19 52 ? -18.850 50.728 36.790 1.00 94.73 ? 52 LEU z CA 1 +ATOM 49161 C C . LEU MA 19 52 ? -18.731 52.232 36.566 1.00 101.57 ? 52 LEU z C 1 +ATOM 49162 O O . LEU MA 19 52 ? -19.582 52.833 35.896 1.00 88.35 ? 52 LEU z O 1 +ATOM 49163 C CB . LEU MA 19 52 ? -19.653 50.424 38.058 1.00 102.89 ? 52 LEU z CB 1 +ATOM 49164 C CG . LEU MA 19 52 ? -20.181 48.988 38.144 1.00 85.93 ? 52 LEU z CG 1 +ATOM 49165 C CD1 . LEU MA 19 52 ? -20.660 48.641 39.542 1.00 98.06 ? 52 LEU z CD1 1 +ATOM 49166 C CD2 . LEU MA 19 52 ? -21.304 48.798 37.144 1.00 88.60 ? 52 LEU z CD2 1 +ATOM 49167 N N . VAL MA 19 53 ? -17.672 52.852 37.092 1.00 93.94 ? 53 VAL z N 1 +ATOM 49168 C CA . VAL MA 19 53 ? -17.471 54.285 36.897 1.00 98.89 ? 53 VAL z CA 1 +ATOM 49169 C C . VAL MA 19 53 ? -17.138 54.581 35.441 1.00 94.38 ? 53 VAL z C 1 +ATOM 49170 O O . VAL MA 19 53 ? -17.791 55.408 34.791 1.00 89.57 ? 53 VAL z O 1 +ATOM 49171 C CB . VAL MA 19 53 ? -16.380 54.812 37.847 1.00 102.68 ? 53 VAL z CB 1 +ATOM 49172 C CG1 . VAL MA 19 53 ? -15.758 56.097 37.297 1.00 87.08 ? 53 VAL z CG1 1 +ATOM 49173 C CG2 . VAL MA 19 53 ? -16.966 55.056 39.230 1.00 91.36 ? 53 VAL z CG2 1 +ATOM 49174 N N . VAL MA 19 54 ? -16.109 53.914 34.913 1.00 99.49 ? 54 VAL z N 1 +ATOM 49175 C CA . VAL MA 19 54 ? -15.736 54.113 33.514 1.00 93.88 ? 54 VAL z CA 1 +ATOM 49176 C C . VAL MA 19 54 ? -16.903 53.748 32.602 1.00 82.82 ? 54 VAL z C 1 +ATOM 49177 O O . VAL MA 19 54 ? -17.143 54.400 31.581 1.00 82.17 ? 54 VAL z O 1 +ATOM 49178 C CB . VAL MA 19 54 ? -14.466 53.309 33.177 1.00 89.30 ? 54 VAL z CB 1 +ATOM 49179 C CG1 . VAL MA 19 54 ? -14.082 53.504 31.711 1.00 96.35 ? 54 VAL z CG1 1 +ATOM 49180 C CG2 . VAL MA 19 54 ? -13.307 53.732 34.073 1.00 85.69 ? 54 VAL z CG2 1 +ATOM 49181 N N . GLY MA 19 55 ? -17.675 52.727 32.981 1.00 84.79 ? 55 GLY z N 1 +ATOM 49182 C CA . GLY MA 19 55 ? -18.814 52.333 32.168 1.00 84.12 ? 55 GLY z CA 1 +ATOM 49183 C C . GLY MA 19 55 ? -19.874 53.409 32.054 1.00 88.30 ? 55 GLY z C 1 +ATOM 49184 O O . GLY MA 19 55 ? -20.531 53.531 31.018 1.00 93.75 ? 55 GLY z O 1 +ATOM 49185 N N . VAL MA 19 56 ? -20.055 54.204 33.108 1.00 112.50 ? 56 VAL z N 1 +ATOM 49186 C CA . VAL MA 19 56 ? -21.045 55.274 33.070 1.00 87.47 ? 56 VAL z CA 1 +ATOM 49187 C C . VAL MA 19 56 ? -20.490 56.492 32.342 1.00 88.63 ? 56 VAL z C 1 +ATOM 49188 O O . VAL MA 19 56 ? -21.161 57.084 31.490 1.00 82.86 ? 56 VAL z O 1 +ATOM 49189 C CB . VAL MA 19 56 ? -21.504 55.618 34.499 1.00 95.85 ? 56 VAL z CB 1 +ATOM 49190 C CG1 . VAL MA 19 56 ? -22.180 56.987 34.529 1.00 90.16 ? 56 VAL z CG1 1 +ATOM 49191 C CG2 . VAL MA 19 56 ? -22.458 54.548 35.016 1.00 92.74 ? 56 VAL z CG2 1 +ATOM 49192 N N . LEU MA 19 57 ? -19.251 56.880 32.657 1.00 85.20 ? 57 LEU z N 1 +ATOM 49193 C CA . LEU MA 19 57 ? -18.666 58.062 32.034 1.00 83.58 ? 57 LEU z CA 1 +ATOM 49194 C C . LEU MA 19 57 ? -18.480 57.893 30.530 1.00 102.20 ? 57 LEU z C 1 +ATOM 49195 O O . LEU MA 19 57 ? -18.384 58.897 29.811 1.00 99.45 ? 57 LEU z O 1 +ATOM 49196 C CB . LEU MA 19 57 ? -17.329 58.405 32.707 1.00 92.87 ? 57 LEU z CB 1 +ATOM 49197 C CG . LEU MA 19 57 ? -17.419 58.955 34.139 1.00 110.85 ? 57 LEU z CG 1 +ATOM 49198 C CD1 . LEU MA 19 57 ? -16.036 59.248 34.735 1.00 99.30 ? 57 LEU z CD1 1 +ATOM 49199 C CD2 . LEU MA 19 57 ? -18.300 60.190 34.174 1.00 85.63 ? 57 LEU z CD2 1 +ATOM 49200 N N . ASN MA 19 58 ? -18.425 56.648 30.043 1.00 107.51 ? 58 ASN z N 1 +ATOM 49201 C CA . ASN MA 19 58 ? -18.342 56.401 28.606 1.00 98.70 ? 58 ASN z CA 1 +ATOM 49202 C C . ASN MA 19 58 ? -19.397 57.192 27.847 1.00 95.52 ? 58 ASN z C 1 +ATOM 49203 O O . ASN MA 19 58 ? -19.101 57.823 26.826 1.00 95.23 ? 58 ASN z O 1 +ATOM 49204 C CB . ASN MA 19 58 ? -18.499 54.901 28.321 1.00 97.62 ? 58 ASN z CB 1 +ATOM 49205 C CG . ASN MA 19 58 ? -18.720 54.606 26.844 1.00 94.36 ? 58 ASN z CG 1 +ATOM 49206 O OD1 . ASN MA 19 58 ? -17.773 54.618 26.052 1.00 73.90 ? 58 ASN z OD1 1 +ATOM 49207 N ND2 . ASN MA 19 58 ? -19.975 54.350 26.466 1.00 69.07 ? 58 ASN z ND2 1 +ATOM 49208 N N . PHE MA 19 59 ? -20.629 57.194 28.346 1.00 90.38 ? 59 PHE z N 1 +ATOM 49209 C CA . PHE MA 19 59 ? -21.736 57.791 27.617 1.00 100.82 ? 59 PHE z CA 1 +ATOM 49210 C C . PHE MA 19 59 ? -21.775 59.312 27.709 1.00 104.41 ? 59 PHE z C 1 +ATOM 49211 O O . PHE MA 19 59 ? -22.683 59.923 27.136 1.00 113.11 ? 59 PHE z O 1 +ATOM 49212 C CB . PHE MA 19 59 ? -23.048 57.182 28.102 1.00 87.65 ? 59 PHE z CB 1 +ATOM 49213 C CG . PHE MA 19 59 ? -23.118 55.695 27.898 1.00 107.37 ? 59 PHE z CG 1 +ATOM 49214 C CD1 . PHE MA 19 59 ? -23.457 55.170 26.659 1.00 104.68 ? 59 PHE z CD1 1 +ATOM 49215 C CD2 . PHE MA 19 59 ? -22.814 54.821 28.931 1.00 106.68 ? 59 PHE z CD2 1 +ATOM 49216 C CE1 . PHE MA 19 59 ? -23.515 53.808 26.461 1.00 103.51 ? 59 PHE z CE1 1 +ATOM 49217 C CE2 . PHE MA 19 59 ? -22.870 53.451 28.740 1.00 111.43 ? 59 PHE z CE2 1 +ATOM 49218 C CZ . PHE MA 19 59 ? -23.222 52.944 27.502 1.00 100.65 ? 59 PHE z CZ 1 +ATOM 49219 N N . PHE MA 19 60 ? -20.815 59.938 28.392 1.00 107.49 ? 60 PHE z N 1 +ATOM 49220 C CA . PHE MA 19 60 ? -20.635 61.382 28.312 1.00 100.49 ? 60 PHE z CA 1 +ATOM 49221 C C . PHE MA 19 60 ? -19.507 61.779 27.377 1.00 113.06 ? 60 PHE z C 1 +ATOM 49222 O O . PHE MA 19 60 ? -19.473 62.924 26.911 1.00 138.88 ? 60 PHE z O 1 +ATOM 49223 C CB . PHE MA 19 60 ? -20.340 61.970 29.695 1.00 109.40 ? 60 PHE z CB 1 +ATOM 49224 C CG . PHE MA 19 60 ? -21.341 61.594 30.736 1.00 104.46 ? 60 PHE z CG 1 +ATOM 49225 C CD1 . PHE MA 19 60 ? -22.689 61.525 30.430 1.00 108.87 ? 60 PHE z CD1 1 +ATOM 49226 C CD2 . PHE MA 19 60 ? -20.930 61.296 32.023 1.00 124.99 ? 60 PHE z CD2 1 +ATOM 49227 C CE1 . PHE MA 19 60 ? -23.613 61.176 31.389 1.00 122.25 ? 60 PHE z CE1 1 +ATOM 49228 C CE2 . PHE MA 19 60 ? -21.847 60.947 32.994 1.00 142.98 ? 60 PHE z CE2 1 +ATOM 49229 C CZ . PHE MA 19 60 ? -23.194 60.886 32.676 1.00 147.66 ? 60 PHE z CZ 1 +ATOM 49230 N N . VAL MA 19 61 ? -18.589 60.863 27.096 1.00 110.14 ? 61 VAL z N 1 +ATOM 49231 C CA . VAL MA 19 61 ? -17.399 61.167 26.314 1.00 123.63 ? 61 VAL z CA 1 +ATOM 49232 C C . VAL MA 19 61 ? -17.441 60.540 24.920 1.00 125.91 ? 61 VAL z C 1 +ATOM 49233 O O . VAL MA 19 61 ? -16.570 60.848 24.087 1.00 103.51 ? 61 VAL z O 1 +ATOM 49234 C CB . VAL MA 19 61 ? -16.125 60.737 27.076 1.00 113.61 ? 61 VAL z CB 1 +ATOM 49235 C CG1 . VAL MA 19 61 ? -15.909 59.225 26.967 1.00 111.77 ? 61 VAL z CG1 1 +ATOM 49236 C CG2 . VAL MA 19 61 ? -14.905 61.535 26.634 1.00 124.36 ? 61 VAL z CG2 1 +ATOM 49237 N N . VAL MA 19 62 ? -18.433 59.700 24.629 1.00 106.39 ? 62 VAL z N 1 +ATOM 49238 C CA . VAL MA 19 62 ? -18.573 59.073 23.316 1.00 114.33 ? 62 VAL z CA 1 +ATOM 49239 C C . VAL MA 19 62 ? -20.019 59.180 22.834 1.00 126.43 ? 62 VAL z C 1 +ATOM 49240 O O . VAL MA 19 62 ? -20.278 59.473 21.664 1.00 141.11 ? 62 VAL z O 1 +ATOM 49241 C CB . VAL MA 19 62 ? -18.106 57.594 23.347 1.00 102.68 ? 62 VAL z CB 1 +ATOM 49242 C CG1 . VAL MA 19 62 ? -18.724 56.800 22.200 1.00 103.51 ? 62 VAL z CG1 1 +ATOM 49243 C CG2 . VAL MA 19 62 ? -16.585 57.516 23.293 1.00 98.29 ? 62 VAL z CG2 1 +ATOM 49244 O OXT . VAL MA 19 62 ? -20.969 58.992 23.598 1.00 114.56 ? 62 VAL z OXT 1 +HETATM 49245 FE FE A FE2 NA 21 . ? 25.047 -58.496 -21.968 0.40 51.70 ? 401 FE2 A FE 1 +HETATM 49246 FE FE B FE2 NA 21 . ? 25.106 -58.431 -21.975 0.60 51.43 ? 401 FE2 A FE 1 +HETATM 49247 CL CL A CL OA 22 . ? 22.265 -31.282 -56.134 0.40 44.29 ? 402 CL A CL 1 +HETATM 49248 CL CL B CL OA 22 . ? 22.372 -31.329 -56.058 0.60 44.27 ? 402 CL A CL 1 +HETATM 49249 CL CL A CL PA 22 . ? 28.561 -32.313 -68.947 0.40 49.64 ? 403 CL A CL 1 +HETATM 49250 CL CL B CL PA 22 . ? 28.593 -32.273 -68.896 0.60 49.52 ? 403 CL A CL 1 +HETATM 49251 MG MG A CLA QA 23 . ? 20.404 -46.010 -46.536 0.40 42.67 ? 404 CLA A MG 1 +HETATM 49252 MG MG B CLA QA 23 . ? 20.389 -45.983 -46.539 0.60 42.67 ? 404 CLA A MG 1 +HETATM 49253 C CHA A CLA QA 23 . ? 23.803 -45.665 -45.920 0.40 42.89 ? 404 CLA A CHA 1 +HETATM 49254 C CHA B CLA QA 23 . ? 23.783 -45.656 -45.943 0.60 42.85 ? 404 CLA A CHA 1 +HETATM 49255 C CHB A CLA QA 23 . ? 20.154 -47.566 -43.492 0.40 41.42 ? 404 CLA A CHB 1 +HETATM 49256 C CHB B CLA QA 23 . ? 20.157 -47.545 -43.497 0.60 41.41 ? 404 CLA A CHB 1 +HETATM 49257 C CHC A CLA QA 23 . ? 17.065 -45.344 -46.564 0.40 37.94 ? 404 CLA A CHC 1 +HETATM 49258 C CHC B CLA QA 23 . ? 17.044 -45.359 -46.593 0.60 37.82 ? 404 CLA A CHC 1 +HETATM 49259 C CHD A CLA QA 23 . ? 20.806 -43.905 -49.485 0.40 41.67 ? 404 CLA A CHD 1 +HETATM 49260 C CHD B CLA QA 23 . ? 20.800 -43.856 -49.512 0.60 41.76 ? 404 CLA A CHD 1 +HETATM 49261 N NA A CLA QA 23 . ? 21.709 -46.465 -44.960 0.40 44.64 ? 404 CLA A NA 1 +HETATM 49262 N NA B CLA QA 23 . ? 21.692 -46.445 -44.982 0.60 44.71 ? 404 CLA A NA 1 +HETATM 49263 C C1A A CLA QA 23 . ? 22.993 -46.402 -44.918 0.40 43.28 ? 404 CLA A C1A 1 +HETATM 49264 C C1A B CLA QA 23 . ? 22.974 -46.395 -44.949 0.60 43.21 ? 404 CLA A C1A 1 +HETATM 49265 C C2A A CLA QA 23 . ? 23.671 -46.990 -43.727 0.40 48.43 ? 404 CLA A C2A 1 +HETATM 49266 C C2A B CLA QA 23 . ? 23.665 -47.013 -43.777 0.60 48.52 ? 404 CLA A C2A 1 +HETATM 49267 C C3A A CLA QA 23 . ? 22.529 -47.680 -43.032 0.40 45.01 ? 404 CLA A C3A 1 +HETATM 49268 C C3A B CLA QA 23 . ? 22.519 -47.674 -43.063 0.60 45.04 ? 404 CLA A C3A 1 +HETATM 49269 C C4A A CLA QA 23 . ? 21.384 -47.210 -43.892 0.40 45.63 ? 404 CLA A C4A 1 +HETATM 49270 C C4A B CLA QA 23 . ? 21.379 -47.190 -43.905 0.60 45.75 ? 404 CLA A C4A 1 +HETATM 49271 C CMA A CLA QA 23 . ? 22.725 -49.152 -43.381 0.40 42.85 ? 404 CLA A CMA 1 +HETATM 49272 C CMA B CLA QA 23 . ? 22.668 -49.159 -43.354 0.60 42.89 ? 404 CLA A CMA 1 +HETATM 49273 C CAA A CLA QA 23 . ? 23.878 -45.756 -42.832 0.40 51.59 ? 404 CLA A CAA 1 +HETATM 49274 C CAA B CLA QA 23 . ? 23.940 -45.806 -42.869 0.60 51.86 ? 404 CLA A CAA 1 +HETATM 49275 C CBA A CLA QA 23 . ? 24.400 -46.029 -41.417 0.40 55.26 ? 404 CLA A CBA 1 +HETATM 49276 C CBA B CLA QA 23 . ? 24.461 -46.164 -41.470 0.60 55.81 ? 404 CLA A CBA 1 +HETATM 49277 C CGA A CLA QA 23 . ? 25.901 -46.069 -41.552 0.40 58.98 ? 404 CLA A CGA 1 +HETATM 49278 C CGA B CLA QA 23 . ? 25.966 -46.148 -41.572 0.60 59.19 ? 404 CLA A CGA 1 +HETATM 49279 O O1A A CLA QA 23 . ? 26.471 -45.552 -42.498 0.40 63.59 ? 404 CLA A O1A 1 +HETATM 49280 O O1A B CLA QA 23 . ? 26.527 -45.610 -42.510 0.60 63.93 ? 404 CLA A O1A 1 +HETATM 49281 O O2A A CLA QA 23 . ? 26.743 -46.719 -40.608 0.40 55.60 ? 404 CLA A O2A 1 +HETATM 49282 O O2A B CLA QA 23 . ? 26.800 -46.776 -40.590 0.60 56.02 ? 404 CLA A O2A 1 +HETATM 49283 N NB A CLA QA 23 . ? 18.866 -46.392 -45.230 0.40 40.87 ? 404 CLA A NB 1 +HETATM 49284 N NB B CLA QA 23 . ? 18.854 -46.398 -45.247 0.60 40.90 ? 404 CLA A NB 1 +HETATM 49285 C C1B A CLA QA 23 . ? 18.898 -47.141 -44.125 0.40 42.46 ? 404 CLA A C1B 1 +HETATM 49286 C C1B B CLA QA 23 . ? 18.897 -47.119 -44.123 0.60 42.53 ? 404 CLA A C1B 1 +HETATM 49287 C C2B A CLA QA 23 . ? 17.575 -47.354 -43.467 0.40 39.96 ? 404 CLA A C2B 1 +HETATM 49288 C C2B B CLA QA 23 . ? 17.584 -47.329 -43.451 0.60 39.91 ? 404 CLA A C2B 1 +HETATM 49289 C C3B A CLA QA 23 . ? 16.663 -46.671 -44.421 0.40 42.46 ? 404 CLA A C3B 1 +HETATM 49290 C C3B B CLA QA 23 . ? 16.663 -46.656 -44.401 0.60 42.57 ? 404 CLA A C3B 1 +HETATM 49291 C C4B A CLA QA 23 . ? 17.583 -46.122 -45.442 0.40 41.69 ? 404 CLA A C4B 1 +HETATM 49292 C C4B B CLA QA 23 . ? 17.566 -46.117 -45.448 0.60 41.76 ? 404 CLA A C4B 1 +HETATM 49293 C CMB A CLA QA 23 . ? 17.281 -48.127 -42.205 0.40 40.78 ? 404 CLA A CMB 1 +HETATM 49294 C CMB B CLA QA 23 . ? 17.301 -48.090 -42.181 0.60 40.88 ? 404 CLA A CMB 1 +HETATM 49295 C CAB A CLA QA 23 . ? 15.192 -46.466 -44.459 0.40 44.78 ? 404 CLA A CAB 1 +HETATM 49296 C CAB B CLA QA 23 . ? 15.191 -46.482 -44.417 0.60 44.93 ? 404 CLA A CAB 1 +HETATM 49297 C CBB A CLA QA 23 . ? 14.407 -46.888 -43.481 0.40 45.93 ? 404 CLA A CBB 1 +HETATM 49298 C CBB B CLA QA 23 . ? 14.435 -46.868 -43.409 0.60 46.01 ? 404 CLA A CBB 1 +HETATM 49299 N NC A CLA QA 23 . ? 19.209 -44.814 -47.748 0.40 44.37 ? 404 CLA A NC 1 +HETATM 49300 N NC B CLA QA 23 . ? 19.205 -44.816 -47.772 0.60 44.59 ? 404 CLA A NC 1 +HETATM 49301 C C1C A CLA QA 23 . ? 17.871 -44.743 -47.634 0.40 38.62 ? 404 CLA A C1C 1 +HETATM 49302 C C1C B CLA QA 23 . ? 17.861 -44.744 -47.655 0.60 38.54 ? 404 CLA A C1C 1 +HETATM 49303 C C2C A CLA QA 23 . ? 17.173 -43.969 -48.698 0.40 42.41 ? 404 CLA A C2C 1 +HETATM 49304 C C2C B CLA QA 23 . ? 17.170 -43.960 -48.712 0.60 42.53 ? 404 CLA A C2C 1 +HETATM 49305 C C3C A CLA QA 23 . ? 18.290 -43.553 -49.573 0.40 40.72 ? 404 CLA A C3C 1 +HETATM 49306 C C3C B CLA QA 23 . ? 18.290 -43.534 -49.577 0.60 40.72 ? 404 CLA A C3C 1 +HETATM 49307 C C4C A CLA QA 23 . ? 19.484 -44.123 -48.873 0.40 38.79 ? 404 CLA A C4C 1 +HETATM 49308 C C4C B CLA QA 23 . ? 19.483 -44.105 -48.887 0.60 38.76 ? 404 CLA A C4C 1 +HETATM 49309 C CMC A CLA QA 23 . ? 15.694 -43.716 -48.860 0.40 39.38 ? 404 CLA A CMC 1 +HETATM 49310 C CMC B CLA QA 23 . ? 15.696 -43.695 -48.880 0.60 39.41 ? 404 CLA A CMC 1 +HETATM 49311 C CAC A CLA QA 23 . ? 18.247 -42.759 -50.855 0.40 44.27 ? 404 CLA A CAC 1 +HETATM 49312 C CAC B CLA QA 23 . ? 18.252 -42.718 -50.840 0.60 44.44 ? 404 CLA A CAC 1 +HETATM 49313 C CBC A CLA QA 23 . ? 17.783 -41.340 -50.543 0.40 42.80 ? 404 CLA A CBC 1 +HETATM 49314 C CBC B CLA QA 23 . ? 17.901 -41.284 -50.487 0.60 42.85 ? 404 CLA A CBC 1 +HETATM 49315 N ND A CLA QA 23 . ? 21.864 -45.001 -47.521 0.40 45.87 ? 404 CLA A ND 1 +HETATM 49316 N ND B CLA QA 23 . ? 21.836 -44.958 -47.531 0.60 46.05 ? 404 CLA A ND 1 +HETATM 49317 C C1D A CLA QA 23 . ? 21.995 -44.208 -48.698 0.40 38.65 ? 404 CLA A C1D 1 +HETATM 49318 C C1D B CLA QA 23 . ? 21.986 -44.159 -48.712 0.60 38.47 ? 404 CLA A C1D 1 +HETATM 49319 C C2D A CLA QA 23 . ? 23.369 -43.761 -49.020 0.40 43.80 ? 404 CLA A C2D 1 +HETATM 49320 C C2D B CLA QA 23 . ? 23.375 -43.734 -49.019 0.60 43.93 ? 404 CLA A C2D 1 +HETATM 49321 C C3D A CLA QA 23 . ? 24.096 -44.366 -47.874 0.40 40.44 ? 404 CLA A C3D 1 +HETATM 49322 C C3D B CLA QA 23 . ? 24.094 -44.349 -47.873 0.60 40.30 ? 404 CLA A C3D 1 +HETATM 49323 C C4D A CLA QA 23 . ? 23.162 -45.020 -47.076 0.40 42.33 ? 404 CLA A C4D 1 +HETATM 49324 C C4D B CLA QA 23 . ? 23.148 -44.992 -47.090 0.60 42.34 ? 404 CLA A C4D 1 +HETATM 49325 C CMD A CLA QA 23 . ? 24.027 -42.974 -50.116 0.40 40.45 ? 404 CLA A CMD 1 +HETATM 49326 C CMD B CLA QA 23 . ? 24.046 -42.938 -50.098 0.60 40.47 ? 404 CLA A CMD 1 +HETATM 49327 C CAD A CLA QA 23 . ? 25.417 -44.518 -47.223 0.40 45.86 ? 404 CLA A CAD 1 +HETATM 49328 C CAD B CLA QA 23 . ? 25.410 -44.529 -47.214 0.60 45.96 ? 404 CLA A CAD 1 +HETATM 49329 O OBD A CLA QA 23 . ? 26.498 -44.009 -47.676 0.40 45.60 ? 404 CLA A OBD 1 +HETATM 49330 O OBD B CLA QA 23 . ? 26.512 -44.045 -47.637 0.60 45.68 ? 404 CLA A OBD 1 +HETATM 49331 C CBD A CLA QA 23 . ? 25.257 -45.328 -45.979 0.40 48.48 ? 404 CLA A CBD 1 +HETATM 49332 C CBD B CLA QA 23 . ? 25.242 -45.337 -45.979 0.60 48.64 ? 404 CLA A CBD 1 +HETATM 49333 C CGD A CLA QA 23 . ? 26.182 -46.495 -46.061 0.40 47.85 ? 404 CLA A CGD 1 +HETATM 49334 C CGD B CLA QA 23 . ? 26.179 -46.498 -46.053 0.60 47.92 ? 404 CLA A CGD 1 +HETATM 49335 O O1D A CLA QA 23 . ? 25.829 -47.575 -46.476 0.40 44.75 ? 404 CLA A O1D 1 +HETATM 49336 O O1D B CLA QA 23 . ? 25.847 -47.586 -46.484 0.60 44.73 ? 404 CLA A O1D 1 +HETATM 49337 O O2D A CLA QA 23 . ? 27.555 -46.287 -45.669 0.40 46.35 ? 404 CLA A O2D 1 +HETATM 49338 O O2D B CLA QA 23 . ? 27.551 -46.296 -45.635 0.60 46.40 ? 404 CLA A O2D 1 +HETATM 49339 C CED A CLA QA 23 . ? 28.467 -47.369 -45.731 0.40 47.86 ? 404 CLA A CED 1 +HETATM 49340 C CED B CLA QA 23 . ? 28.438 -47.401 -45.719 0.60 47.92 ? 404 CLA A CED 1 +HETATM 49341 C C1 A CLA QA 23 . ? 28.146 -46.659 -40.851 0.40 53.32 ? 404 CLA A C1 1 +HETATM 49342 C C1 B CLA QA 23 . ? 28.211 -46.711 -40.764 0.60 53.62 ? 404 CLA A C1 1 +HETATM 49343 C C2 A CLA QA 23 . ? 28.782 -45.864 -39.723 0.40 51.71 ? 404 CLA A C2 1 +HETATM 49344 C C2 B CLA QA 23 . ? 28.835 -45.868 -39.663 0.60 51.71 ? 404 CLA A C2 1 +HETATM 49345 C C3 A CLA QA 23 . ? 29.300 -44.636 -39.948 0.40 51.83 ? 404 CLA A C3 1 +HETATM 49346 C C3 B CLA QA 23 . ? 29.302 -44.627 -39.908 0.60 51.97 ? 404 CLA A C3 1 +HETATM 49347 C C4 A CLA QA 23 . ? 29.261 -44.043 -41.319 0.40 40.36 ? 404 CLA A C4 1 +HETATM 49348 C C4 B CLA QA 23 . ? 29.195 -44.050 -41.285 0.60 40.14 ? 404 CLA A C4 1 +HETATM 49349 C C5 A CLA QA 23 . ? 29.941 -43.844 -38.831 0.40 50.25 ? 404 CLA A C5 1 +HETATM 49350 C C5 B CLA QA 23 . ? 29.926 -43.800 -38.802 0.60 50.35 ? 404 CLA A C5 1 +HETATM 49351 C C6 A CLA QA 23 . ? 31.448 -43.640 -38.997 0.40 45.66 ? 404 CLA A C6 1 +HETATM 49352 C C6 B CLA QA 23 . ? 31.438 -43.611 -38.925 0.60 45.65 ? 404 CLA A C6 1 +HETATM 49353 C C7 A CLA QA 23 . ? 31.985 -43.062 -37.689 0.40 47.24 ? 404 CLA A C7 1 +HETATM 49354 C C7 B CLA QA 23 . ? 32.002 -43.064 -37.616 0.60 47.29 ? 404 CLA A C7 1 +HETATM 49355 C C8 A CLA QA 23 . ? 33.448 -42.609 -37.738 0.40 52.64 ? 404 CLA A C8 1 +HETATM 49356 C C8 B CLA QA 23 . ? 33.457 -42.599 -37.743 0.60 52.79 ? 404 CLA A C8 1 +HETATM 49357 C C9 A CLA QA 23 . ? 34.370 -43.808 -37.982 0.40 46.08 ? 404 CLA A C9 1 +HETATM 49358 C C9 B CLA QA 23 . ? 34.392 -43.775 -38.038 0.60 46.09 ? 404 CLA A C9 1 +HETATM 49359 C C10 A CLA QA 23 . ? 33.800 -41.888 -36.423 0.40 45.47 ? 404 CLA A C10 1 +HETATM 49360 C C10 B CLA QA 23 . ? 33.873 -41.858 -36.466 0.60 45.46 ? 404 CLA A C10 1 +HETATM 49361 C C11 A CLA QA 23 . ? 33.128 -40.510 -36.303 0.40 45.23 ? 404 CLA A C11 1 +HETATM 49362 C C11 B CLA QA 23 . ? 33.043 -40.589 -36.229 0.60 45.38 ? 404 CLA A C11 1 +HETATM 49363 C C12 A CLA QA 23 . ? 33.380 -39.834 -34.951 0.40 42.76 ? 404 CLA A C12 1 +HETATM 49364 C C12 B CLA QA 23 . ? 33.525 -39.797 -35.017 0.60 42.37 ? 404 CLA A C12 1 +HETATM 49365 C C13 A CLA QA 23 . ? 32.668 -38.475 -34.846 0.40 54.29 ? 404 CLA A C13 1 +HETATM 49366 C C13 B CLA QA 23 . ? 32.739 -38.491 -34.832 0.60 54.47 ? 404 CLA A C13 1 +HETATM 49367 C C14 A CLA QA 23 . ? 33.105 -37.459 -35.897 0.40 49.65 ? 404 CLA A C14 1 +HETATM 49368 C C14 B CLA QA 23 . ? 33.066 -37.436 -35.891 0.60 49.58 ? 404 CLA A C14 1 +HETATM 49369 C C15 A CLA QA 23 . ? 32.910 -37.872 -33.473 0.40 57.25 ? 404 CLA A C15 1 +HETATM 49370 C C15 B CLA QA 23 . ? 33.033 -37.926 -33.456 0.60 57.30 ? 404 CLA A C15 1 +HETATM 49371 C C16 A CLA QA 23 . ? 32.168 -38.644 -32.401 0.40 56.37 ? 404 CLA A C16 1 +HETATM 49372 C C16 B CLA QA 23 . ? 32.275 -38.681 -32.380 0.60 56.36 ? 404 CLA A C16 1 +HETATM 49373 C C17 A CLA QA 23 . ? 31.578 -37.693 -31.372 0.40 66.80 ? 404 CLA A C17 1 +HETATM 49374 C C17 B CLA QA 23 . ? 31.652 -37.713 -31.383 0.60 66.90 ? 404 CLA A C17 1 +HETATM 49375 C C18 A CLA QA 23 . ? 32.629 -37.221 -30.383 0.40 69.00 ? 404 CLA A C18 1 +HETATM 49376 C C18 B CLA QA 23 . ? 32.666 -37.168 -30.388 0.60 69.03 ? 404 CLA A C18 1 +HETATM 49377 C C19 A CLA QA 23 . ? 33.558 -38.357 -29.998 0.40 65.27 ? 404 CLA A C19 1 +HETATM 49378 C C19 B CLA QA 23 . ? 33.730 -38.197 -30.040 0.60 65.45 ? 404 CLA A C19 1 +HETATM 49379 C C20 A CLA QA 23 . ? 31.951 -36.686 -29.134 0.40 71.91 ? 404 CLA A C20 1 +HETATM 49380 C C20 B CLA QA 23 . ? 31.946 -36.749 -29.116 0.60 71.94 ? 404 CLA A C20 1 +HETATM 49381 MG MG A CLA RA 23 . ? 25.008 -39.002 -40.327 0.40 44.99 ? 405 CLA A MG 1 +HETATM 49382 MG MG B CLA RA 23 . ? 25.016 -39.052 -40.290 0.60 45.34 ? 405 CLA A MG 1 +HETATM 49383 C CHA A CLA RA 23 . ? 22.078 -38.221 -38.610 0.40 39.27 ? 405 CLA A CHA 1 +HETATM 49384 C CHA B CLA RA 23 . ? 22.077 -38.226 -38.632 0.60 39.19 ? 405 CLA A CHA 1 +HETATM 49385 C CHB A CLA RA 23 . ? 26.746 -37.840 -37.672 0.40 39.88 ? 405 CLA A CHB 1 +HETATM 49386 C CHB B CLA RA 23 . ? 26.740 -37.872 -37.622 0.60 39.72 ? 405 CLA A CHB 1 +HETATM 49387 C CHC A CLA RA 23 . ? 27.770 -40.529 -41.632 0.40 45.88 ? 405 CLA A CHC 1 +HETATM 49388 C CHC B CLA RA 23 . ? 27.779 -40.534 -41.603 0.60 45.91 ? 405 CLA A CHC 1 +HETATM 49389 C CHD A CLA RA 23 . ? 22.956 -40.619 -42.878 0.40 40.42 ? 405 CLA A CHD 1 +HETATM 49390 C CHD B CLA RA 23 . ? 22.959 -40.633 -42.911 0.60 40.39 ? 405 CLA A CHD 1 +HETATM 49391 N NA A CLA RA 23 . ? 24.516 -38.233 -38.463 0.40 44.35 ? 405 CLA A NA 1 +HETATM 49392 N NA B CLA RA 23 . ? 24.518 -38.242 -38.450 0.60 44.49 ? 405 CLA A NA 1 +HETATM 49393 C C1A A CLA RA 23 . ? 23.374 -37.944 -37.937 0.40 41.69 ? 405 CLA A C1A 1 +HETATM 49394 C C1A B CLA RA 23 . ? 23.372 -37.950 -37.946 0.60 41.68 ? 405 CLA A C1A 1 +HETATM 49395 C C2A A CLA RA 23 . ? 23.379 -37.281 -36.588 0.40 40.08 ? 405 CLA A C2A 1 +HETATM 49396 C C2A B CLA RA 23 . ? 23.364 -37.299 -36.602 0.60 39.99 ? 405 CLA A C2A 1 +HETATM 49397 C C3A A CLA RA 23 . ? 24.854 -37.075 -36.375 0.40 48.57 ? 405 CLA A C3A 1 +HETATM 49398 C C3A B CLA RA 23 . ? 24.841 -37.111 -36.347 0.60 48.71 ? 405 CLA A C3A 1 +HETATM 49399 C C4A A CLA RA 23 . ? 25.416 -37.757 -37.594 0.40 45.50 ? 405 CLA A C4A 1 +HETATM 49400 C C4A B CLA RA 23 . ? 25.412 -37.778 -37.563 0.60 45.63 ? 405 CLA A C4A 1 +HETATM 49401 C CMA A CLA RA 23 . ? 25.048 -35.577 -36.628 0.40 43.70 ? 405 CLA A CMA 1 +HETATM 49402 C CMA B CLA RA 23 . ? 25.096 -35.610 -36.513 0.60 43.97 ? 405 CLA A CMA 1 +HETATM 49403 C CAA A CLA RA 23 . ? 23.055 -38.365 -35.514 0.40 40.77 ? 405 CLA A CAA 1 +HETATM 49404 C CAA B CLA RA 23 . ? 22.981 -38.369 -35.553 0.60 40.82 ? 405 CLA A CAA 1 +HETATM 49405 C CBA A CLA RA 23 . ? 23.664 -39.740 -35.842 0.40 42.07 ? 405 CLA A CBA 1 +HETATM 49406 C CBA B CLA RA 23 . ? 23.676 -39.721 -35.811 0.60 42.05 ? 405 CLA A CBA 1 +HETATM 49407 C CGA A CLA RA 23 . ? 23.674 -40.799 -34.747 0.40 48.02 ? 405 CLA A CGA 1 +HETATM 49408 C CGA B CLA RA 23 . ? 23.667 -40.738 -34.687 0.60 48.19 ? 405 CLA A CGA 1 +HETATM 49409 O O1A A CLA RA 23 . ? 23.104 -40.675 -33.667 0.40 50.20 ? 405 CLA A O1A 1 +HETATM 49410 O O1A B CLA RA 23 . ? 23.112 -40.534 -33.615 0.60 50.80 ? 405 CLA A O1A 1 +HETATM 49411 O O2A A CLA RA 23 . ? 24.400 -42.022 -34.978 0.40 45.56 ? 405 CLA A O2A 1 +HETATM 49412 O O2A B CLA RA 23 . ? 24.345 -42.005 -34.901 0.60 45.48 ? 405 CLA A O2A 1 +HETATM 49413 N NB A CLA RA 23 . ? 26.972 -39.156 -39.738 0.40 46.15 ? 405 CLA A NB 1 +HETATM 49414 N NB B CLA RA 23 . ? 26.972 -39.183 -39.689 0.60 46.18 ? 405 CLA A NB 1 +HETATM 49415 C C1B A CLA RA 23 . ? 27.534 -38.525 -38.713 0.40 43.89 ? 405 CLA A C1B 1 +HETATM 49416 C C1B B CLA RA 23 . ? 27.530 -38.546 -38.664 0.60 44.02 ? 405 CLA A C1B 1 +HETATM 49417 C C2B A CLA RA 23 . ? 29.005 -38.725 -38.589 0.40 42.97 ? 405 CLA A C2B 1 +HETATM 49418 C C2B B CLA RA 23 . ? 29.005 -38.700 -38.559 0.60 43.03 ? 405 CLA A C2B 1 +HETATM 49419 C C3B A CLA RA 23 . ? 29.316 -39.535 -39.777 0.40 46.43 ? 405 CLA A C3B 1 +HETATM 49420 C C3B B CLA RA 23 . ? 29.325 -39.511 -39.747 0.60 46.45 ? 405 CLA A C3B 1 +HETATM 49421 C C4B A CLA RA 23 . ? 27.972 -39.751 -40.402 0.40 46.10 ? 405 CLA A C4B 1 +HETATM 49422 C C4B B CLA RA 23 . ? 27.982 -39.752 -40.367 0.60 46.08 ? 405 CLA A C4B 1 +HETATM 49423 C CMB A CLA RA 23 . ? 29.970 -38.209 -37.559 0.40 47.64 ? 405 CLA A CMB 1 +HETATM 49424 C CMB B CLA RA 23 . ? 29.957 -38.161 -37.528 0.60 47.79 ? 405 CLA A CMB 1 +HETATM 49425 C CAB A CLA RA 23 . ? 30.678 -40.004 -40.180 0.40 37.94 ? 405 CLA A CAB 1 +HETATM 49426 C CAB B CLA RA 23 . ? 30.693 -39.948 -40.165 0.60 37.73 ? 405 CLA A CAB 1 +HETATM 49427 C CBB A CLA RA 23 . ? 30.997 -40.183 -41.441 0.40 52.91 ? 405 CLA A CBB 1 +HETATM 49428 C CBB B CLA RA 23 . ? 30.992 -40.281 -41.399 0.60 53.07 ? 405 CLA A CBB 1 +HETATM 49429 N NC A CLA RA 23 . ? 25.269 -40.344 -41.870 0.40 42.60 ? 405 CLA A NC 1 +HETATM 49430 N NC B CLA RA 23 . ? 25.280 -40.349 -41.870 0.60 42.66 ? 405 CLA A NC 1 +HETATM 49431 C C1C A CLA RA 23 . ? 26.480 -40.762 -42.304 0.40 46.50 ? 405 CLA A C1C 1 +HETATM 49432 C C1C B CLA RA 23 . ? 26.493 -40.758 -42.297 0.60 46.63 ? 405 CLA A C1C 1 +HETATM 49433 C C2C A CLA RA 23 . ? 26.470 -41.498 -43.597 0.40 46.70 ? 405 CLA A C2C 1 +HETATM 49434 C C2C B CLA RA 23 . ? 26.486 -41.498 -43.599 0.60 46.85 ? 405 CLA A C2C 1 +HETATM 49435 C C3C A CLA RA 23 . ? 25.044 -41.496 -43.938 0.40 43.51 ? 405 CLA A C3C 1 +HETATM 49436 C C3C B CLA RA 23 . ? 25.058 -41.505 -43.951 0.60 43.55 ? 405 CLA A C3C 1 +HETATM 49437 C C4C A CLA RA 23 . ? 24.415 -40.777 -42.812 0.40 42.69 ? 405 CLA A C4C 1 +HETATM 49438 C C4C B CLA RA 23 . ? 24.424 -40.781 -42.828 0.60 42.73 ? 405 CLA A C4C 1 +HETATM 49439 C CMC A CLA RA 23 . ? 27.600 -42.104 -44.403 0.40 42.41 ? 405 CLA A CMC 1 +HETATM 49440 C CMC B CLA RA 23 . ? 27.628 -42.101 -44.379 0.60 42.43 ? 405 CLA A CMC 1 +HETATM 49441 C CAC A CLA RA 23 . ? 24.388 -42.070 -45.153 0.40 42.39 ? 405 CLA A CAC 1 +HETATM 49442 C CAC B CLA RA 23 . ? 24.386 -42.079 -45.166 0.60 42.34 ? 405 CLA A CAC 1 +HETATM 49443 C CBC A CLA RA 23 . ? 24.886 -41.139 -46.253 0.40 40.89 ? 405 CLA A CBC 1 +HETATM 49444 C CBC B CLA RA 23 . ? 24.905 -41.219 -46.304 0.60 41.02 ? 405 CLA A CBC 1 +HETATM 49445 N ND A CLA RA 23 . ? 23.059 -39.443 -40.697 0.40 44.56 ? 405 CLA A ND 1 +HETATM 49446 N ND B CLA RA 23 . ? 23.063 -39.444 -40.720 0.60 44.67 ? 405 CLA A ND 1 +HETATM 49447 C C1D A CLA RA 23 . ? 22.288 -39.941 -41.782 0.40 40.35 ? 405 CLA A C1D 1 +HETATM 49448 C C1D B CLA RA 23 . ? 22.282 -39.959 -41.808 0.60 40.36 ? 405 CLA A C1D 1 +HETATM 49449 C C2D A CLA RA 23 . ? 20.826 -39.717 -41.720 0.40 46.61 ? 405 CLA A C2D 1 +HETATM 49450 C C2D B CLA RA 23 . ? 20.814 -39.742 -41.722 0.60 46.93 ? 405 CLA A C2D 1 +HETATM 49451 C C3D A CLA RA 23 . ? 20.762 -38.991 -40.412 0.40 37.91 ? 405 CLA A C3D 1 +HETATM 49452 C C3D B CLA RA 23 . ? 20.752 -39.020 -40.413 0.60 37.76 ? 405 CLA A C3D 1 +HETATM 49453 C C4D A CLA RA 23 . ? 22.050 -38.917 -39.910 0.40 39.18 ? 405 CLA A C4D 1 +HETATM 49454 C C4D B CLA RA 23 . ? 22.052 -38.917 -39.932 0.60 39.10 ? 405 CLA A C4D 1 +HETATM 49455 C CMD A CLA RA 23 . ? 19.693 -40.093 -42.642 0.40 37.27 ? 405 CLA A CMD 1 +HETATM 49456 C CMD B CLA RA 23 . ? 19.639 -40.096 -42.598 0.60 37.28 ? 405 CLA A CMD 1 +HETATM 49457 C CAD A CLA RA 23 . ? 19.892 -38.341 -39.399 0.40 46.29 ? 405 CLA A CAD 1 +HETATM 49458 C CAD B CLA RA 23 . ? 19.870 -38.377 -39.394 0.60 46.46 ? 405 CLA A CAD 1 +HETATM 49459 O OBD A CLA RA 23 . ? 18.629 -38.254 -39.542 0.40 42.57 ? 405 CLA A OBD 1 +HETATM 49460 O OBD B CLA RA 23 . ? 18.597 -38.284 -39.506 0.60 42.68 ? 405 CLA A OBD 1 +HETATM 49461 C CBD A CLA RA 23 . ? 20.695 -37.814 -38.243 0.40 41.92 ? 405 CLA A CBD 1 +HETATM 49462 C CBD B CLA RA 23 . ? 20.686 -37.839 -38.264 0.60 41.94 ? 405 CLA A CBD 1 +HETATM 49463 C CGD A CLA RA 23 . ? 20.598 -36.297 -38.233 0.40 43.28 ? 405 CLA A CGD 1 +HETATM 49464 C CGD B CLA RA 23 . ? 20.581 -36.331 -38.284 0.60 43.37 ? 405 CLA A CGD 1 +HETATM 49465 O O1D A CLA RA 23 . ? 20.738 -35.627 -39.242 0.40 45.09 ? 405 CLA A O1D 1 +HETATM 49466 O O1D B CLA RA 23 . ? 20.692 -35.688 -39.323 0.60 45.21 ? 405 CLA A O1D 1 +HETATM 49467 O O2D A CLA RA 23 . ? 20.346 -35.586 -37.014 0.40 49.48 ? 405 CLA A O2D 1 +HETATM 49468 O O2D B CLA RA 23 . ? 20.363 -35.610 -37.047 0.60 49.61 ? 405 CLA A O2D 1 +HETATM 49469 C CED A CLA RA 23 . ? 20.476 -34.157 -36.979 0.40 45.81 ? 405 CLA A CED 1 +HETATM 49470 C CED B CLA RA 23 . ? 20.376 -34.181 -36.998 0.60 45.88 ? 405 CLA A CED 1 +HETATM 49471 C C1 A CLA RA 23 . ? 24.558 -42.955 -33.886 0.40 49.55 ? 405 CLA A C1 1 +HETATM 49472 C C1 B CLA RA 23 . ? 24.513 -42.947 -33.825 0.60 49.59 ? 405 CLA A C1 1 +HETATM 49473 C C2 A CLA RA 23 . ? 25.812 -42.597 -33.125 0.40 46.91 ? 405 CLA A C2 1 +HETATM 49474 C C2 B CLA RA 23 . ? 25.803 -42.612 -33.110 0.60 46.86 ? 405 CLA A C2 1 +HETATM 49475 C C3 A CLA RA 23 . ? 25.796 -42.207 -31.848 0.40 49.38 ? 405 CLA A C3 1 +HETATM 49476 C C3 B CLA RA 23 . ? 25.806 -42.173 -31.845 0.60 49.46 ? 405 CLA A C3 1 +HETATM 49477 C C4 A CLA RA 23 . ? 24.498 -42.111 -31.099 0.40 47.48 ? 405 CLA A C4 1 +HETATM 49478 C C4 B CLA RA 23 . ? 24.509 -42.012 -31.105 0.60 47.47 ? 405 CLA A C4 1 +HETATM 49479 C C5 A CLA RA 23 . ? 27.101 -41.845 -31.162 0.40 49.34 ? 405 CLA A C5 1 +HETATM 49480 C C5 B CLA RA 23 . ? 27.114 -41.822 -31.170 0.60 49.36 ? 405 CLA A C5 1 +HETATM 49481 C C6 A CLA RA 23 . ? 27.287 -40.333 -31.043 0.40 50.77 ? 405 CLA A C6 1 +HETATM 49482 C C6 B CLA RA 23 . ? 27.295 -40.308 -31.064 0.60 50.80 ? 405 CLA A C6 1 +HETATM 49483 C C7 A CLA RA 23 . ? 27.568 -39.696 -32.408 0.40 52.26 ? 405 CLA A C7 1 +HETATM 49484 C C7 B CLA RA 23 . ? 27.663 -39.696 -32.414 0.60 52.41 ? 405 CLA A C7 1 +HETATM 49485 C C8 A CLA RA 23 . ? 27.517 -38.165 -32.384 0.40 51.09 ? 405 CLA A C8 1 +HETATM 49486 C C8 B CLA RA 23 . ? 27.634 -38.168 -32.396 0.60 51.12 ? 405 CLA A C8 1 +HETATM 49487 C C9 A CLA RA 23 . ? 26.074 -37.700 -32.199 0.40 46.13 ? 405 CLA A C9 1 +HETATM 49488 C C9 B CLA RA 23 . ? 26.220 -37.673 -32.104 0.60 46.11 ? 405 CLA A C9 1 +HETATM 49489 C C10 A CLA RA 23 . ? 28.114 -37.586 -33.674 0.40 47.79 ? 405 CLA A C10 1 +HETATM 49490 C C10 B CLA RA 23 . ? 28.152 -37.607 -33.722 0.60 47.66 ? 405 CLA A C10 1 +HETATM 49491 C C11 A CLA RA 23 . ? 28.481 -36.106 -33.550 0.40 48.26 ? 405 CLA A C11 1 +HETATM 49492 C C11 B CLA RA 23 . ? 28.491 -36.125 -33.600 0.60 48.14 ? 405 CLA A C11 1 +HETATM 49493 C C12 A CLA RA 23 . ? 28.910 -35.485 -34.884 0.40 54.52 ? 405 CLA A C12 1 +HETATM 49494 C C12 B CLA RA 23 . ? 28.956 -35.512 -34.923 0.60 54.54 ? 405 CLA A C12 1 +HETATM 49495 C C13 A CLA RA 23 . ? 29.398 -34.034 -34.741 0.40 55.68 ? 405 CLA A C13 1 +HETATM 49496 C C13 B CLA RA 23 . ? 29.418 -34.059 -34.744 0.60 55.72 ? 405 CLA A C13 1 +HETATM 49497 C C14 A CLA RA 23 . ? 29.731 -33.419 -36.094 0.40 54.07 ? 405 CLA A C14 1 +HETATM 49498 C C14 B CLA RA 23 . ? 29.760 -33.405 -36.075 0.60 54.07 ? 405 CLA A C14 1 +HETATM 49499 C C15 A CLA RA 23 . ? 30.636 -33.972 -33.849 0.40 55.67 ? 405 CLA A C15 1 +HETATM 49500 C C15 B CLA RA 23 . ? 30.631 -33.997 -33.826 0.60 55.65 ? 405 CLA A C15 1 +HETATM 49501 C C16 A CLA RA 23 . ? 31.044 -32.547 -33.523 0.40 58.18 ? 405 CLA A C16 1 +HETATM 49502 C C16 B CLA RA 23 . ? 31.015 -32.561 -33.514 0.60 58.16 ? 405 CLA A C16 1 +HETATM 49503 C C17 A CLA RA 23 . ? 31.805 -32.517 -32.202 0.40 70.41 ? 405 CLA A C17 1 +HETATM 49504 C C17 B CLA RA 23 . ? 31.822 -32.493 -32.226 0.60 70.56 ? 405 CLA A C17 1 +HETATM 49505 C C18 A CLA RA 23 . ? 33.297 -32.594 -32.465 0.40 64.12 ? 405 CLA A C18 1 +HETATM 49506 C C18 B CLA RA 23 . ? 33.307 -32.579 -32.525 0.60 64.09 ? 405 CLA A C18 1 +HETATM 49507 C C19 A CLA RA 23 . ? 34.071 -32.437 -31.172 0.40 74.92 ? 405 CLA A C19 1 +HETATM 49508 C C19 B CLA RA 23 . ? 34.104 -32.484 -31.236 0.60 75.04 ? 405 CLA A C19 1 +HETATM 49509 C C20 A CLA RA 23 . ? 33.718 -31.504 -33.435 0.40 64.48 ? 405 CLA A C20 1 +HETATM 49510 C C20 B CLA RA 23 . ? 33.713 -31.456 -33.463 0.60 64.50 ? 405 CLA A C20 1 +HETATM 49511 MG MG A CLA SA 23 . ? 11.052 -53.556 -44.446 0.40 47.71 ? 406 CLA A MG 1 +HETATM 49512 MG MG B CLA SA 23 . ? 11.033 -53.540 -44.438 0.60 47.82 ? 406 CLA A MG 1 +HETATM 49513 C CHA A CLA SA 23 . ? 14.146 -54.445 -45.661 0.40 48.66 ? 406 CLA A CHA 1 +HETATM 49514 C CHA B CLA SA 23 . ? 14.128 -54.416 -45.665 0.60 48.78 ? 406 CLA A CHA 1 +HETATM 49515 C CHB A CLA SA 23 . ? 10.516 -56.842 -43.747 0.40 44.62 ? 406 CLA A CHB 1 +HETATM 49516 C CHB B CLA SA 23 . ? 10.508 -56.830 -43.756 0.60 44.60 ? 406 CLA A CHB 1 +HETATM 49517 C CHC A CLA SA 23 . ? 8.268 -52.608 -42.762 0.40 44.56 ? 406 CLA A CHC 1 +HETATM 49518 C CHC B CLA SA 23 . ? 8.217 -52.618 -42.780 0.60 44.55 ? 406 CLA A CHC 1 +HETATM 49519 C CHD A CLA SA 23 . ? 12.104 -50.035 -44.622 0.40 43.26 ? 406 CLA A CHD 1 +HETATM 49520 C CHD B CLA SA 23 . ? 12.092 -50.029 -44.589 0.60 43.26 ? 406 CLA A CHD 1 +HETATM 49521 N NA A CLA SA 23 . ? 12.134 -55.315 -44.613 0.40 44.97 ? 406 CLA A NA 1 +HETATM 49522 N NA B CLA SA 23 . ? 12.121 -55.293 -44.617 0.60 44.97 ? 406 CLA A NA 1 +HETATM 49523 C C1A A CLA SA 23 . ? 13.283 -55.530 -45.124 0.40 44.53 ? 406 CLA A C1A 1 +HETATM 49524 C C1A B CLA SA 23 . ? 13.268 -55.504 -45.139 0.60 44.45 ? 406 CLA A C1A 1 +HETATM 49525 C C2A A CLA SA 23 . ? 13.771 -56.942 -45.178 0.40 48.81 ? 406 CLA A C2A 1 +HETATM 49526 C C2A B CLA SA 23 . ? 13.749 -56.918 -45.213 0.60 48.83 ? 406 CLA A C2A 1 +HETATM 49527 C C3A A CLA SA 23 . ? 12.560 -57.683 -44.673 0.40 51.37 ? 406 CLA A C3A 1 +HETATM 49528 C C3A B CLA SA 23 . ? 12.550 -57.665 -44.686 0.60 51.47 ? 406 CLA A C3A 1 +HETATM 49529 C C4A A CLA SA 23 . ? 11.669 -56.535 -44.331 0.40 46.00 ? 406 CLA A C4A 1 +HETATM 49530 C C4A B CLA SA 23 . ? 11.658 -56.516 -44.341 0.60 45.98 ? 406 CLA A C4A 1 +HETATM 49531 C CMA A CLA SA 23 . ? 11.974 -58.319 -45.934 0.40 48.43 ? 406 CLA A CMA 1 +HETATM 49532 C CMA B CLA SA 23 . ? 11.933 -58.403 -45.869 0.60 48.47 ? 406 CLA A CMA 1 +HETATM 49533 C CAA A CLA SA 23 . ? 14.839 -57.122 -44.064 0.40 44.76 ? 406 CLA A CAA 1 +HETATM 49534 C CAA B CLA SA 23 . ? 14.825 -57.132 -44.120 0.60 44.57 ? 406 CLA A CAA 1 +HETATM 49535 C CBA A CLA SA 23 . ? 14.432 -56.545 -42.683 0.40 49.96 ? 406 CLA A CBA 1 +HETATM 49536 C CBA B CLA SA 23 . ? 14.487 -56.454 -42.769 0.60 50.03 ? 406 CLA A CBA 1 +HETATM 49537 C CGA A CLA SA 23 . ? 15.282 -56.906 -41.469 0.40 50.25 ? 406 CLA A CGA 1 +HETATM 49538 C CGA B CLA SA 23 . ? 15.275 -56.892 -41.540 0.60 50.27 ? 406 CLA A CGA 1 +HETATM 49539 O O1A A CLA SA 23 . ? 16.330 -57.513 -41.537 0.40 64.22 ? 406 CLA A O1A 1 +HETATM 49540 O O1A B CLA SA 23 . ? 16.289 -57.560 -41.612 0.60 64.65 ? 406 CLA A O1A 1 +HETATM 49541 O O2A A CLA SA 23 . ? 14.876 -56.547 -40.135 0.40 56.35 ? 406 CLA A O2A 1 +HETATM 49542 O O2A B CLA SA 23 . ? 14.837 -56.533 -40.206 0.60 56.30 ? 406 CLA A O2A 1 +HETATM 49543 N NB A CLA SA 23 . ? 9.622 -54.583 -43.398 0.40 45.43 ? 406 CLA A NB 1 +HETATM 49544 N NB B CLA SA 23 . ? 9.588 -54.572 -43.413 0.60 45.48 ? 406 CLA A NB 1 +HETATM 49545 C C1B A CLA SA 23 . ? 9.491 -55.900 -43.286 0.40 45.19 ? 406 CLA A C1B 1 +HETATM 49546 C C1B B CLA SA 23 . ? 9.479 -55.897 -43.290 0.60 45.18 ? 406 CLA A C1B 1 +HETATM 49547 C C2B A CLA SA 23 . ? 8.262 -56.351 -42.584 0.40 45.57 ? 406 CLA A C2B 1 +HETATM 49548 C C2B B CLA SA 23 . ? 8.260 -56.381 -42.598 0.60 45.54 ? 406 CLA A C2B 1 +HETATM 49549 C C3B A CLA SA 23 . ? 7.585 -55.083 -42.288 0.40 48.53 ? 406 CLA A C3B 1 +HETATM 49550 C C3B B CLA SA 23 . ? 7.559 -55.124 -42.295 0.60 48.53 ? 406 CLA A C3B 1 +HETATM 49551 C C4B A CLA SA 23 . ? 8.526 -54.058 -42.838 0.40 47.63 ? 406 CLA A C4B 1 +HETATM 49552 C C4B B CLA SA 23 . ? 8.483 -54.065 -42.848 0.60 47.78 ? 406 CLA A C4B 1 +HETATM 49553 C CMB A CLA SA 23 . ? 7.771 -57.731 -42.244 0.40 49.95 ? 406 CLA A CMB 1 +HETATM 49554 C CMB B CLA SA 23 . ? 7.819 -57.782 -42.286 0.60 49.99 ? 406 CLA A CMB 1 +HETATM 49555 C CAB A CLA SA 23 . ? 6.285 -54.938 -41.566 0.40 47.01 ? 406 CLA A CAB 1 +HETATM 49556 C CAB B CLA SA 23 . ? 6.248 -55.020 -41.586 0.60 46.96 ? 406 CLA A CAB 1 +HETATM 49557 C CBB A CLA SA 23 . ? 5.209 -54.364 -42.037 0.40 58.49 ? 406 CLA A CBB 1 +HETATM 49558 C CBB B CLA SA 23 . ? 5.228 -54.301 -41.991 0.60 58.68 ? 406 CLA A CBB 1 +HETATM 49559 N NC A CLA SA 23 . ? 10.373 -51.716 -43.815 0.40 43.14 ? 406 CLA A NC 1 +HETATM 49560 N NC B CLA SA 23 . ? 10.343 -51.705 -43.801 0.60 43.13 ? 406 CLA A NC 1 +HETATM 49561 C C1C A CLA SA 23 . ? 9.197 -51.540 -43.182 0.40 44.20 ? 406 CLA A C1C 1 +HETATM 49562 C C1C B CLA SA 23 . ? 9.161 -51.544 -43.170 0.60 44.21 ? 406 CLA A C1C 1 +HETATM 49563 C C2C A CLA SA 23 . ? 8.841 -50.123 -42.901 0.40 44.25 ? 406 CLA A C2C 1 +HETATM 49564 C C2C B CLA SA 23 . ? 8.816 -50.128 -42.863 0.60 44.30 ? 406 CLA A C2C 1 +HETATM 49565 C C3C A CLA SA 23 . ? 9.991 -49.389 -43.449 0.40 44.56 ? 406 CLA A C3C 1 +HETATM 49566 C C3C B CLA SA 23 . ? 9.972 -49.377 -43.396 0.60 44.56 ? 406 CLA A C3C 1 +HETATM 49567 C C4C A CLA SA 23 . ? 10.852 -50.466 -43.980 0.40 41.47 ? 406 CLA A C4C 1 +HETATM 49568 C C4C B CLA SA 23 . ? 10.832 -50.455 -43.949 0.60 41.39 ? 406 CLA A C4C 1 +HETATM 49569 C CMC A CLA SA 23 . ? 7.629 -49.567 -42.187 0.40 50.44 ? 406 CLA A CMC 1 +HETATM 49570 C CMC B CLA SA 23 . ? 7.595 -49.594 -42.160 0.60 50.60 ? 406 CLA A CMC 1 +HETATM 49571 C CAC A CLA SA 23 . ? 10.257 -47.901 -43.481 0.40 42.38 ? 406 CLA A CAC 1 +HETATM 49572 C CAC B CLA SA 23 . ? 10.239 -47.892 -43.404 0.60 42.33 ? 406 CLA A CAC 1 +HETATM 49573 C CBC A CLA SA 23 . ? 9.256 -47.349 -44.466 0.40 42.42 ? 406 CLA A CBC 1 +HETATM 49574 C CBC B CLA SA 23 . ? 9.311 -47.312 -44.449 0.60 42.41 ? 406 CLA A CBC 1 +HETATM 49575 N ND A CLA SA 23 . ? 12.688 -52.434 -44.904 0.40 46.64 ? 406 CLA A ND 1 +HETATM 49576 N ND B CLA SA 23 . ? 12.675 -52.420 -44.898 0.60 46.76 ? 406 CLA A ND 1 +HETATM 49577 C C1D A CLA SA 23 . ? 12.999 -51.066 -45.141 0.40 44.20 ? 406 CLA A C1D 1 +HETATM 49578 C C1D B CLA SA 23 . ? 12.991 -51.046 -45.131 0.60 44.19 ? 406 CLA A C1D 1 +HETATM 49579 C C2D A CLA SA 23 . ? 14.216 -50.796 -45.929 0.40 47.59 ? 406 CLA A C2D 1 +HETATM 49580 C C2D B CLA SA 23 . ? 14.222 -50.772 -45.913 0.60 47.69 ? 406 CLA A C2D 1 +HETATM 49581 C C3D A CLA SA 23 . ? 14.674 -52.196 -46.163 0.40 43.02 ? 406 CLA A C3D 1 +HETATM 49582 C C3D B CLA SA 23 . ? 14.673 -52.175 -46.156 0.60 42.87 ? 406 CLA A C3D 1 +HETATM 49583 C C4D A CLA SA 23 . ? 13.752 -53.027 -45.545 0.40 46.27 ? 406 CLA A C4D 1 +HETATM 49584 C C4D B CLA SA 23 . ? 13.743 -53.004 -45.538 0.60 46.23 ? 406 CLA A C4D 1 +HETATM 49585 C CMD A CLA SA 23 . ? 14.885 -49.534 -46.416 0.40 43.58 ? 406 CLA A CMD 1 +HETATM 49586 C CMD B CLA SA 23 . ? 14.918 -49.532 -46.408 0.60 43.59 ? 406 CLA A CMD 1 +HETATM 49587 C CAD A CLA SA 23 . ? 15.707 -53.081 -46.791 0.40 48.35 ? 406 CLA A CAD 1 +HETATM 49588 C CAD B CLA SA 23 . ? 15.710 -53.064 -46.778 0.60 48.45 ? 406 CLA A CAD 1 +HETATM 49589 O OBD A CLA SA 23 . ? 16.718 -52.672 -47.470 0.40 43.39 ? 406 CLA A OBD 1 +HETATM 49590 O OBD B CLA SA 23 . ? 16.736 -52.688 -47.454 0.60 43.29 ? 406 CLA A OBD 1 +HETATM 49591 C CBD A CLA SA 23 . ? 15.382 -54.521 -46.498 0.40 52.09 ? 406 CLA A CBD 1 +HETATM 49592 C CBD B CLA SA 23 . ? 15.364 -54.492 -46.494 0.60 52.27 ? 406 CLA A CBD 1 +HETATM 49593 C CGD A CLA SA 23 . ? 15.107 -55.233 -47.803 0.40 50.61 ? 406 CLA A CGD 1 +HETATM 49594 C CGD B CLA SA 23 . ? 15.104 -55.202 -47.799 0.60 50.68 ? 406 CLA A CGD 1 +HETATM 49595 O O1D A CLA SA 23 . ? 14.299 -54.821 -48.622 0.40 47.65 ? 406 CLA A O1D 1 +HETATM 49596 O O1D B CLA SA 23 . ? 14.320 -54.782 -48.635 0.60 47.69 ? 406 CLA A O1D 1 +HETATM 49597 O O2D A CLA SA 23 . ? 15.824 -56.449 -48.121 0.40 51.17 ? 406 CLA A O2D 1 +HETATM 49598 O O2D B CLA SA 23 . ? 15.811 -56.437 -48.067 0.60 51.18 ? 406 CLA A O2D 1 +HETATM 49599 C CED A CLA SA 23 . ? 15.542 -57.132 -49.343 0.40 54.25 ? 406 CLA A CED 1 +HETATM 49600 C CED B CLA SA 23 . ? 15.571 -57.138 -49.289 0.60 54.34 ? 406 CLA A CED 1 +HETATM 49601 C C1 A CLA SA 23 . ? 15.615 -57.055 -39.018 0.40 60.48 ? 406 CLA A C1 1 +HETATM 49602 C C1 B CLA SA 23 . ? 15.549 -57.028 -39.064 0.60 60.69 ? 406 CLA A C1 1 +HETATM 49603 C C2 A CLA SA 23 . ? 14.845 -58.211 -38.430 0.40 57.68 ? 406 CLA A C2 1 +HETATM 49604 C C2 B CLA SA 23 . ? 14.798 -58.198 -38.470 0.60 57.71 ? 406 CLA A C2 1 +HETATM 49605 C C3 A CLA SA 23 . ? 15.439 -59.378 -38.158 0.40 65.29 ? 406 CLA A C3 1 +HETATM 49606 C C3 B CLA SA 23 . ? 15.394 -59.364 -38.178 0.60 65.39 ? 406 CLA A C3 1 +HETATM 49607 C C4 A CLA SA 23 . ? 16.898 -59.550 -38.442 0.40 60.35 ? 406 CLA A C4 1 +HETATM 49608 C C4 B CLA SA 23 . ? 16.858 -59.567 -38.439 0.60 60.41 ? 406 CLA A C4 1 +HETATM 49609 C C5 A CLA SA 23 . ? 14.649 -60.527 -37.582 0.40 65.93 ? 406 CLA A C5 1 +HETATM 49610 C C5 B CLA SA 23 . ? 14.585 -60.497 -37.594 0.60 65.87 ? 406 CLA A C5 1 +HETATM 49611 C C6 A CLA SA 23 . ? 14.286 -61.588 -38.621 0.40 76.66 ? 406 CLA A C6 1 +HETATM 49612 C C6 B CLA SA 23 . ? 14.216 -61.573 -38.615 0.60 76.72 ? 406 CLA A C6 1 +HETATM 49613 C C7 A CLA SA 23 . ? 13.489 -61.007 -39.797 0.40 85.36 ? 406 CLA A C7 1 +HETATM 49614 C C7 B CLA SA 23 . ? 13.478 -61.005 -39.829 0.60 85.57 ? 406 CLA A C7 1 +HETATM 49615 C C8 A CLA SA 23 . ? 13.120 -62.059 -40.845 0.40 93.16 ? 406 CLA A C8 1 +HETATM 49616 C C8 B CLA SA 23 . ? 13.140 -62.083 -40.857 0.60 93.23 ? 406 CLA A C8 1 +HETATM 49617 C C9 A CLA SA 23 . ? 12.833 -61.401 -42.192 0.40 81.69 ? 406 CLA A C9 1 +HETATM 49618 C C9 B CLA SA 23 . ? 12.858 -61.445 -42.214 0.60 81.71 ? 406 CLA A C9 1 +HETATM 49619 C C10 A CLA SA 23 . ? 11.925 -62.887 -40.366 0.40 99.14 ? 406 CLA A C10 1 +HETATM 49620 C C10 B CLA SA 23 . ? 11.950 -62.910 -40.371 0.60 99.21 ? 406 CLA A C10 1 +HETATM 49621 C C11 A CLA SA 23 . ? 11.939 -64.303 -40.949 0.40 109.91 ? 406 CLA A C11 1 +HETATM 49622 C C11 B CLA SA 23 . ? 11.927 -64.298 -41.013 0.60 110.04 ? 406 CLA A C11 1 +HETATM 49623 C C12 A CLA SA 23 . ? 10.737 -65.126 -40.484 0.40 105.49 ? 406 CLA A C12 1 +HETATM 49624 C C12 B CLA SA 23 . ? 10.745 -65.129 -40.514 0.60 105.47 ? 406 CLA A C12 1 +HETATM 49625 C C13 A CLA SA 23 . ? 10.728 -66.534 -41.080 0.40 123.05 ? 406 CLA A C13 1 +HETATM 49626 C C13 B CLA SA 23 . ? 10.742 -66.543 -41.093 0.60 123.17 ? 406 CLA A C13 1 +HETATM 49627 C C14 A CLA SA 23 . ? 10.660 -66.475 -42.600 0.40 117.92 ? 406 CLA A C14 1 +HETATM 49628 C C14 B CLA SA 23 . ? 10.673 -66.505 -42.614 0.60 117.98 ? 406 CLA A C14 1 +HETATM 49629 C C15 A CLA SA 23 . ? 9.555 -67.336 -40.513 0.40 125.20 ? 406 CLA A C15 1 +HETATM 49630 C C15 B CLA SA 23 . ? 9.570 -67.337 -40.516 0.60 125.42 ? 406 CLA A C15 1 +HETATM 49631 C C16 A CLA SA 23 . ? 9.894 -68.782 -40.146 0.40 114.44 ? 406 CLA A C16 1 +HETATM 49632 C C16 B CLA SA 23 . ? 9.920 -68.774 -40.130 0.60 114.40 ? 406 CLA A C16 1 +HETATM 49633 C C17 A CLA SA 23 . ? 9.203 -69.167 -38.839 0.40 111.44 ? 406 CLA A C17 1 +HETATM 49634 C C17 B CLA SA 23 . ? 9.236 -69.143 -38.815 0.60 111.42 ? 406 CLA A C17 1 +HETATM 49635 C C18 A CLA SA 23 . ? 9.567 -70.564 -38.333 0.40 118.98 ? 406 CLA A C18 1 +HETATM 49636 C C18 B CLA SA 23 . ? 9.594 -70.540 -38.305 0.60 119.14 ? 406 CLA A C18 1 +HETATM 49637 C C19 A CLA SA 23 . ? 9.443 -70.619 -36.812 0.40 106.42 ? 406 CLA A C19 1 +HETATM 49638 C C19 B CLA SA 23 . ? 9.479 -70.595 -36.785 0.60 106.47 ? 406 CLA A C19 1 +HETATM 49639 C C20 A CLA SA 23 . ? 10.951 -71.023 -38.788 0.40 108.15 ? 406 CLA A C20 1 +HETATM 49640 C C20 B CLA SA 23 . ? 10.975 -71.003 -38.759 0.60 108.08 ? 406 CLA A C20 1 +HETATM 49641 C CHA A PHO TA 24 . ? 32.670 -46.281 -32.068 0.40 50.15 ? 407 PHO A CHA 1 +HETATM 49642 C CHA B PHO TA 24 . ? 32.702 -46.269 -32.072 0.60 50.32 ? 407 PHO A CHA 1 +HETATM 49643 C CHB A PHO TA 24 . ? 30.126 -42.654 -34.102 0.40 48.39 ? 407 PHO A CHB 1 +HETATM 49644 C CHB B PHO TA 24 . ? 30.135 -42.668 -34.104 0.60 48.45 ? 407 PHO A CHB 1 +HETATM 49645 C CHC A PHO TA 24 . ? 27.281 -45.966 -36.420 0.40 38.62 ? 407 PHO A CHC 1 +HETATM 49646 C CHC B PHO TA 24 . ? 27.223 -45.957 -36.382 0.60 38.34 ? 407 PHO A CHC 1 +HETATM 49647 C CHD A PHO TA 24 . ? 29.686 -49.699 -34.237 0.40 46.05 ? 407 PHO A CHD 1 +HETATM 49648 C CHD B PHO TA 24 . ? 29.707 -49.677 -34.247 0.60 46.11 ? 407 PHO A CHD 1 +HETATM 49649 N NA A PHO TA 24 . ? 31.165 -44.650 -33.170 0.40 50.75 ? 407 PHO A NA 1 +HETATM 49650 N NA B PHO TA 24 . ? 31.171 -44.632 -33.120 0.60 51.03 ? 407 PHO A NA 1 +HETATM 49651 C C1A A PHO TA 24 . ? 32.222 -44.901 -32.397 0.40 51.41 ? 407 PHO A C1A 1 +HETATM 49652 C C1A B PHO TA 24 . ? 32.240 -44.880 -32.370 0.60 51.58 ? 407 PHO A C1A 1 +HETATM 49653 C C2A A PHO TA 24 . ? 32.926 -43.686 -31.861 0.40 46.39 ? 407 PHO A C2A 1 +HETATM 49654 C C2A B PHO TA 24 . ? 32.938 -43.669 -31.831 0.60 46.34 ? 407 PHO A C2A 1 +HETATM 49655 C C3A A PHO TA 24 . ? 31.905 -42.618 -32.258 0.40 49.15 ? 407 PHO A C3A 1 +HETATM 49656 C C3A B PHO TA 24 . ? 31.913 -42.603 -32.240 0.60 49.22 ? 407 PHO A C3A 1 +HETATM 49657 C C4A A PHO TA 24 . ? 31.038 -43.388 -33.215 0.40 49.02 ? 407 PHO A C4A 1 +HETATM 49658 C C4A B PHO TA 24 . ? 31.043 -43.378 -33.190 0.60 49.04 ? 407 PHO A C4A 1 +HETATM 49659 C CMA A PHO TA 24 . ? 31.028 -42.226 -31.074 0.40 43.28 ? 407 PHO A CMA 1 +HETATM 49660 C CMA B PHO TA 24 . ? 31.051 -42.199 -31.050 0.60 43.24 ? 407 PHO A CMA 1 +HETATM 49661 C CAA A PHO TA 24 . ? 34.284 -43.454 -32.512 0.40 44.79 ? 407 PHO A CAA 1 +HETATM 49662 C CAA B PHO TA 24 . ? 34.313 -43.449 -32.456 0.60 44.81 ? 407 PHO A CAA 1 +HETATM 49663 C CBA A PHO TA 24 . ? 34.957 -42.300 -31.775 0.40 47.29 ? 407 PHO A CBA 1 +HETATM 49664 C CBA B PHO TA 24 . ? 34.960 -42.229 -31.801 0.60 47.16 ? 407 PHO A CBA 1 +HETATM 49665 C CGA A PHO TA 24 . ? 36.184 -41.840 -32.510 0.40 48.94 ? 407 PHO A CGA 1 +HETATM 49666 C CGA B PHO TA 24 . ? 36.216 -41.833 -32.540 0.60 48.93 ? 407 PHO A CGA 1 +HETATM 49667 O O1A A PHO TA 24 . ? 36.540 -42.324 -33.570 0.40 51.62 ? 407 PHO A O1A 1 +HETATM 49668 O O1A B PHO TA 24 . ? 36.568 -42.388 -33.570 0.60 51.91 ? 407 PHO A O1A 1 +HETATM 49669 O O2A A PHO TA 24 . ? 36.975 -40.768 -31.976 0.40 53.58 ? 407 PHO A O2A 1 +HETATM 49670 O O2A B PHO TA 24 . ? 37.028 -40.754 -32.035 0.60 53.71 ? 407 PHO A O2A 1 +HETATM 49671 N NB A PHO TA 24 . ? 28.851 -44.529 -35.110 0.40 46.76 ? 407 PHO A NB 1 +HETATM 49672 N NB B PHO TA 24 . ? 28.828 -44.549 -35.086 0.60 46.78 ? 407 PHO A NB 1 +HETATM 49673 C C1B A PHO TA 24 . ? 29.089 -43.213 -34.994 0.40 47.22 ? 407 PHO A C1B 1 +HETATM 49674 C C1B B PHO TA 24 . ? 29.090 -43.229 -34.991 0.60 47.27 ? 407 PHO A C1B 1 +HETATM 49675 C C2B A PHO TA 24 . ? 28.222 -42.369 -35.852 0.40 48.82 ? 407 PHO A C2B 1 +HETATM 49676 C C2B B PHO TA 24 . ? 28.239 -42.383 -35.868 0.60 48.90 ? 407 PHO A C2B 1 +HETATM 49677 C C3B A PHO TA 24 . ? 27.387 -43.378 -36.552 0.40 46.53 ? 407 PHO A C3B 1 +HETATM 49678 C C3B B PHO TA 24 . ? 27.384 -43.386 -36.543 0.60 46.54 ? 407 PHO A C3B 1 +HETATM 49679 C C4B A PHO TA 24 . ? 27.859 -44.673 -36.002 0.40 47.51 ? 407 PHO A C4B 1 +HETATM 49680 C C4B B PHO TA 24 . ? 27.835 -44.681 -35.979 0.60 47.60 ? 407 PHO A C4B 1 +HETATM 49681 C CMB A PHO TA 24 . ? 28.221 -40.882 -35.985 0.40 47.04 ? 407 PHO A CMB 1 +HETATM 49682 C CMB B PHO TA 24 . ? 28.243 -40.893 -36.047 0.60 47.08 ? 407 PHO A CMB 1 +HETATM 49683 C CAB A PHO TA 24 . ? 26.291 -43.234 -37.544 0.40 45.76 ? 407 PHO A CAB 1 +HETATM 49684 C CAB B PHO TA 24 . ? 26.306 -43.228 -37.549 0.60 45.77 ? 407 PHO A CAB 1 +HETATM 49685 C CBB A PHO TA 24 . ? 26.299 -42.319 -38.482 0.40 45.18 ? 407 PHO A CBB 1 +HETATM 49686 C CBB B PHO TA 24 . ? 26.416 -42.399 -38.566 0.60 45.37 ? 407 PHO A CBB 1 +HETATM 49687 N NC A PHO TA 24 . ? 28.688 -47.615 -35.136 0.40 48.48 ? 407 PHO A NC 1 +HETATM 49688 N NC B PHO TA 24 . ? 28.714 -47.602 -35.182 0.60 48.67 ? 407 PHO A NC 1 +HETATM 49689 C C1C A PHO TA 24 . ? 27.658 -47.303 -35.930 0.40 43.45 ? 407 PHO A C1C 1 +HETATM 49690 C C1C B PHO TA 24 . ? 27.685 -47.301 -35.990 0.60 43.42 ? 407 PHO A C1C 1 +HETATM 49691 C C2C A PHO TA 24 . ? 26.909 -48.480 -36.436 0.40 41.36 ? 407 PHO A C2C 1 +HETATM 49692 C C2C B PHO TA 24 . ? 26.927 -48.477 -36.477 0.60 41.36 ? 407 PHO A C2C 1 +HETATM 49693 C C3C A PHO TA 24 . ? 27.632 -49.630 -35.845 0.40 42.34 ? 407 PHO A C3C 1 +HETATM 49694 C C3C B PHO TA 24 . ? 27.643 -49.616 -35.851 0.60 42.32 ? 407 PHO A C3C 1 +HETATM 49695 C C4C A PHO TA 24 . ? 28.699 -48.958 -35.054 0.40 44.18 ? 407 PHO A C4C 1 +HETATM 49696 C C4C B PHO TA 24 . ? 28.722 -48.942 -35.075 0.60 44.17 ? 407 PHO A C4C 1 +HETATM 49697 C CMC A PHO TA 24 . ? 25.721 -48.450 -37.360 0.40 46.21 ? 407 PHO A CMC 1 +HETATM 49698 C CMC B PHO TA 24 . ? 25.736 -48.471 -37.402 0.60 46.34 ? 407 PHO A CMC 1 +HETATM 49699 C CAC A PHO TA 24 . ? 27.353 -51.118 -35.966 0.40 41.00 ? 407 PHO A CAC 1 +HETATM 49700 C CAC B PHO TA 24 . ? 27.366 -51.098 -35.949 0.60 40.94 ? 407 PHO A CAC 1 +HETATM 49701 C CBC A PHO TA 24 . ? 28.485 -51.832 -36.686 0.40 40.88 ? 407 PHO A CBC 1 +HETATM 49702 C CBC B PHO TA 24 . ? 28.458 -51.757 -36.772 0.60 40.81 ? 407 PHO A CBC 1 +HETATM 49703 N ND A PHO TA 24 . ? 30.794 -47.637 -33.415 0.40 46.76 ? 407 PHO A ND 1 +HETATM 49704 N ND B PHO TA 24 . ? 30.815 -47.606 -33.420 0.60 46.79 ? 407 PHO A ND 1 +HETATM 49705 C C1D A PHO TA 24 . ? 30.731 -48.977 -33.477 0.40 47.71 ? 407 PHO A C1D 1 +HETATM 49706 C C1D B PHO TA 24 . ? 30.757 -48.955 -33.492 0.60 47.87 ? 407 PHO A C1D 1 +HETATM 49707 C C2D A PHO TA 24 . ? 31.761 -49.749 -32.722 0.40 45.46 ? 407 PHO A C2D 1 +HETATM 49708 C C2D B PHO TA 24 . ? 31.807 -49.732 -32.771 0.60 45.50 ? 407 PHO A C2D 1 +HETATM 49709 C C3D A PHO TA 24 . ? 32.521 -48.604 -32.180 0.40 48.59 ? 407 PHO A C3D 1 +HETATM 49710 C C3D B PHO TA 24 . ? 32.571 -48.592 -32.219 0.60 48.71 ? 407 PHO A C3D 1 +HETATM 49711 C C4D A PHO TA 24 . ? 31.913 -47.441 -32.624 0.40 43.82 ? 407 PHO A C4D 1 +HETATM 49712 C C4D B PHO TA 24 . ? 31.949 -47.417 -32.640 0.60 43.63 ? 407 PHO A C4D 1 +HETATM 49713 C CMD A PHO TA 24 . ? 32.077 -51.199 -32.483 0.40 46.47 ? 407 PHO A CMD 1 +HETATM 49714 C CMD B PHO TA 24 . ? 32.141 -51.191 -32.576 0.60 46.59 ? 407 PHO A CMD 1 +HETATM 49715 C CAD A PHO TA 24 . ? 33.689 -48.278 -31.319 0.40 48.58 ? 407 PHO A CAD 1 +HETATM 49716 C CAD B PHO TA 24 . ? 33.754 -48.261 -31.373 0.60 48.74 ? 407 PHO A CAD 1 +HETATM 49717 O OBD A PHO TA 24 . ? 34.469 -49.130 -30.776 0.40 46.72 ? 407 PHO A OBD 1 +HETATM 49718 O OBD B PHO TA 24 . ? 34.567 -49.100 -30.848 0.60 46.50 ? 407 PHO A OBD 1 +HETATM 49719 C CBD A PHO TA 24 . ? 33.816 -46.800 -31.269 0.40 44.91 ? 407 PHO A CBD 1 +HETATM 49720 C CBD B PHO TA 24 . ? 33.857 -46.781 -31.297 0.60 44.86 ? 407 PHO A CBD 1 +HETATM 49721 C CGD A PHO TA 24 . ? 33.799 -46.268 -29.886 0.40 44.42 ? 407 PHO A CGD 1 +HETATM 49722 C CGD B PHO TA 24 . ? 33.814 -46.279 -29.895 0.60 44.33 ? 407 PHO A CGD 1 +HETATM 49723 O O1D A PHO TA 24 . ? 34.841 -45.912 -29.360 0.40 47.97 ? 407 PHO A O1D 1 +HETATM 49724 O O1D B PHO TA 24 . ? 34.828 -45.848 -29.369 0.60 48.01 ? 407 PHO A O1D 1 +HETATM 49725 O O2D A PHO TA 24 . ? 32.543 -46.151 -29.177 0.40 48.02 ? 407 PHO A O2D 1 +HETATM 49726 O O2D B PHO TA 24 . ? 32.572 -46.276 -29.147 0.60 48.20 ? 407 PHO A O2D 1 +HETATM 49727 C CED A PHO TA 24 . ? 32.563 -45.755 -27.802 0.40 41.95 ? 407 PHO A CED 1 +HETATM 49728 C CED B PHO TA 24 . ? 32.582 -45.773 -27.814 0.60 41.84 ? 407 PHO A CED 1 +HETATM 49729 C C1 A PHO TA 24 . ? 37.893 -40.100 -32.844 0.40 57.58 ? 407 PHO A C1 1 +HETATM 49730 C C1 B PHO TA 24 . ? 37.962 -40.109 -32.893 0.60 57.71 ? 407 PHO A C1 1 +HETATM 49731 C C2 A PHO TA 24 . ? 37.320 -38.776 -33.293 0.40 57.72 ? 407 PHO A C2 1 +HETATM 49732 C C2 B PHO TA 24 . ? 37.373 -38.789 -33.348 0.60 57.84 ? 407 PHO A C2 1 +HETATM 49733 C C3 A PHO TA 24 . ? 37.148 -37.749 -32.450 0.40 56.48 ? 407 PHO A C3 1 +HETATM 49734 C C3 B PHO TA 24 . ? 37.211 -37.755 -32.512 0.60 56.44 ? 407 PHO A C3 1 +HETATM 49735 C C4 A PHO TA 24 . ? 37.482 -37.885 -30.991 0.40 59.97 ? 407 PHO A C4 1 +HETATM 49736 C C4 B PHO TA 24 . ? 37.591 -37.875 -31.062 0.60 60.19 ? 407 PHO A C4 1 +HETATM 49737 C C5 A PHO TA 24 . ? 36.571 -36.442 -32.944 0.40 52.43 ? 407 PHO A C5 1 +HETATM 49738 C C5 B PHO TA 24 . ? 36.610 -36.460 -33.007 0.60 52.39 ? 407 PHO A C5 1 +HETATM 49739 C C6 A PHO TA 24 . ? 36.393 -36.420 -34.455 0.40 53.93 ? 407 PHO A C6 1 +HETATM 49740 C C6 B PHO TA 24 . ? 36.435 -36.430 -34.525 0.60 53.95 ? 407 PHO A C6 1 +HETATM 49741 C C7 A PHO TA 24 . ? 35.955 -35.020 -34.884 0.40 50.96 ? 407 PHO A C7 1 +HETATM 49742 C C7 B PHO TA 24 . ? 35.894 -35.062 -34.942 0.60 50.98 ? 407 PHO A C7 1 +HETATM 49743 C C8 A PHO TA 24 . ? 35.979 -34.851 -36.403 0.40 53.46 ? 407 PHO A C8 1 +HETATM 49744 C C8 B PHO TA 24 . ? 35.999 -34.855 -36.451 0.60 53.59 ? 407 PHO A C8 1 +HETATM 49745 C C9 A PHO TA 24 . ? 37.391 -34.507 -36.891 0.40 52.75 ? 407 PHO A C9 1 +HETATM 49746 C C9 B PHO TA 24 . ? 37.429 -34.478 -36.835 0.60 52.90 ? 407 PHO A C9 1 +HETATM 49747 C C10 A PHO TA 24 . ? 34.943 -33.794 -36.819 0.40 46.36 ? 407 PHO A C10 1 +HETATM 49748 C C10 B PHO TA 24 . ? 34.979 -33.799 -36.886 0.60 46.34 ? 407 PHO A C10 1 +HETATM 49749 C C11 A PHO TA 24 . ? 35.039 -33.359 -38.288 0.40 48.83 ? 407 PHO A C11 1 +HETATM 49750 C C11 B PHO TA 24 . ? 35.124 -33.362 -38.348 0.60 48.85 ? 407 PHO A C11 1 +HETATM 49751 C C12 A PHO TA 24 . ? 34.909 -34.478 -39.326 0.40 51.56 ? 407 PHO A C12 1 +HETATM 49752 C C12 B PHO TA 24 . ? 34.967 -34.493 -39.367 0.60 51.63 ? 407 PHO A C12 1 +HETATM 49753 C C13 A PHO TA 24 . ? 33.578 -35.222 -39.234 0.40 50.41 ? 407 PHO A C13 1 +HETATM 49754 C C13 B PHO TA 24 . ? 33.635 -35.234 -39.254 0.60 50.59 ? 407 PHO A C13 1 +HETATM 49755 C C14 A PHO TA 24 . ? 33.648 -36.524 -40.019 0.40 46.34 ? 407 PHO A C14 1 +HETATM 49756 C C14 B PHO TA 24 . ? 33.726 -36.569 -39.990 0.60 46.31 ? 407 PHO A C14 1 +HETATM 49757 C C15 A PHO TA 24 . ? 32.453 -34.328 -39.748 0.40 47.59 ? 407 PHO A C15 1 +HETATM 49758 C C15 B PHO TA 24 . ? 32.499 -34.368 -39.792 0.60 47.67 ? 407 PHO A C15 1 +HETATM 49759 C C16 A PHO TA 24 . ? 31.110 -35.044 -39.705 0.40 47.23 ? 407 PHO A C16 1 +HETATM 49760 C C16 B PHO TA 24 . ? 31.145 -35.046 -39.631 0.60 47.32 ? 407 PHO A C16 1 +HETATM 49761 C C17 A PHO TA 24 . ? 29.962 -34.039 -39.831 0.40 44.94 ? 407 PHO A C17 1 +HETATM 49762 C C17 B PHO TA 24 . ? 30.006 -34.042 -39.779 0.60 45.03 ? 407 PHO A C17 1 +HETATM 49763 C C18 A PHO TA 24 . ? 28.646 -34.812 -39.716 0.40 49.31 ? 407 PHO A C18 1 +HETATM 49764 C C18 B PHO TA 24 . ? 28.651 -34.740 -39.688 0.60 49.41 ? 407 PHO A C18 1 +HETATM 49765 C C19 A PHO TA 24 . ? 28.464 -35.741 -40.917 0.40 45.92 ? 407 PHO A C19 1 +HETATM 49766 C C19 B PHO TA 24 . ? 28.447 -35.702 -40.855 0.60 46.04 ? 407 PHO A C19 1 +HETATM 49767 C C20 A PHO TA 24 . ? 27.447 -33.885 -39.566 0.40 44.38 ? 407 PHO A C20 1 +HETATM 49768 C C20 B PHO TA 24 . ? 27.514 -33.732 -39.628 0.60 44.43 ? 407 PHO A C20 1 +HETATM 49769 MG MG . CLA UA 23 . ? 48.806 -32.051 -41.092 1.00 51.72 ? 408 CLA A MG 1 +HETATM 49770 C CHA . CLA UA 23 . ? 48.284 -31.157 -44.378 1.00 43.58 ? 408 CLA A CHA 1 +HETATM 49771 C CHB . CLA UA 23 . ? 49.256 -35.250 -42.120 1.00 48.03 ? 408 CLA A CHB 1 +HETATM 49772 C CHC . CLA UA 23 . ? 50.010 -32.777 -37.970 1.00 55.32 ? 408 CLA A CHC 1 +HETATM 49773 C CHD . CLA UA 23 . ? 48.944 -28.475 -40.231 1.00 49.55 ? 408 CLA A CHD 1 +HETATM 49774 N NA . CLA UA 23 . ? 48.840 -33.026 -42.910 1.00 54.08 ? 408 CLA A NA 1 +HETATM 49775 C C1A . CLA UA 23 . ? 48.520 -32.607 -44.085 1.00 56.41 ? 408 CLA A C1A 1 +HETATM 49776 C C2A . CLA UA 23 . ? 48.379 -33.639 -45.177 1.00 50.48 ? 408 CLA A C2A 1 +HETATM 49777 C C3A . CLA UA 23 . ? 48.598 -34.905 -44.406 1.00 60.97 ? 408 CLA A C3A 1 +HETATM 49778 C C4A . CLA UA 23 . ? 48.918 -34.354 -43.047 1.00 56.47 ? 408 CLA A C4A 1 +HETATM 49779 C CMA . CLA UA 23 . ? 47.199 -35.515 -44.304 1.00 50.03 ? 408 CLA A CMA 1 +HETATM 49780 C CAA . CLA UA 23 . ? 49.595 -33.581 -46.106 1.00 46.58 ? 408 CLA A CAA 1 +HETATM 49781 C CBA . CLA UA 23 . ? 50.931 -33.567 -45.345 1.00 54.70 ? 408 CLA A CBA 1 +HETATM 49782 C CGA . CLA UA 23 . ? 52.145 -33.664 -46.244 1.00 62.82 ? 408 CLA A CGA 1 +HETATM 49783 O O1A . CLA UA 23 . ? 52.113 -33.210 -47.364 1.00 67.34 ? 408 CLA A O1A 1 +HETATM 49784 O O2A . CLA UA 23 . ? 53.381 -34.281 -45.784 1.00 68.38 ? 408 CLA A O2A 1 +HETATM 49785 N NB . CLA UA 23 . ? 49.491 -33.759 -40.200 1.00 51.05 ? 408 CLA A NB 1 +HETATM 49786 C C1B . CLA UA 23 . ? 49.621 -34.965 -40.739 1.00 51.63 ? 408 CLA A C1B 1 +HETATM 49787 C C2B . CLA UA 23 . ? 50.240 -36.002 -39.859 1.00 54.61 ? 408 CLA A C2B 1 +HETATM 49788 C C3B . CLA UA 23 . ? 50.468 -35.226 -38.610 1.00 47.63 ? 408 CLA A C3B 1 +HETATM 49789 C C4B . CLA UA 23 . ? 49.962 -33.874 -38.949 1.00 51.99 ? 408 CLA A C4B 1 +HETATM 49790 C CMB . CLA UA 23 . ? 50.546 -37.434 -40.170 1.00 52.09 ? 408 CLA A CMB 1 +HETATM 49791 C CAB . CLA UA 23 . ? 51.052 -35.623 -37.299 1.00 52.75 ? 408 CLA A CAB 1 +HETATM 49792 C CBB . CLA UA 23 . ? 50.846 -36.820 -36.768 1.00 50.33 ? 408 CLA A CBB 1 +HETATM 49793 N NC . CLA UA 23 . ? 49.358 -30.875 -39.466 1.00 50.15 ? 408 CLA A NC 1 +HETATM 49794 C C1C . CLA UA 23 . ? 49.807 -31.362 -38.295 1.00 45.60 ? 408 CLA A C1C 1 +HETATM 49795 C C2C . CLA UA 23 . ? 50.105 -30.344 -37.257 1.00 54.13 ? 408 CLA A C2C 1 +HETATM 49796 C C3C . CLA UA 23 . ? 49.774 -29.079 -37.935 1.00 52.00 ? 408 CLA A C3C 1 +HETATM 49797 C C4C . CLA UA 23 . ? 49.340 -29.538 -39.277 1.00 43.69 ? 408 CLA A C4C 1 +HETATM 49798 C CMC . CLA UA 23 . ? 50.602 -30.541 -35.847 1.00 55.00 ? 408 CLA A CMC 1 +HETATM 49799 C CAC . CLA UA 23 . ? 49.862 -27.667 -37.418 1.00 54.49 ? 408 CLA A CAC 1 +HETATM 49800 C CBC . CLA UA 23 . ? 51.217 -27.174 -37.865 1.00 59.02 ? 408 CLA A CBC 1 +HETATM 49801 N ND . CLA UA 23 . ? 48.744 -30.229 -41.981 1.00 48.96 ? 408 CLA A ND 1 +HETATM 49802 C C1D . CLA UA 23 . ? 48.659 -28.853 -41.609 1.00 49.83 ? 408 CLA A C1D 1 +HETATM 49803 C C2D . CLA UA 23 . ? 48.277 -27.901 -42.677 1.00 47.66 ? 408 CLA A C2D 1 +HETATM 49804 C C3D . CLA UA 23 . ? 48.129 -28.875 -43.799 1.00 45.50 ? 408 CLA A C3D 1 +HETATM 49805 C C4D . CLA UA 23 . ? 48.435 -30.131 -43.319 1.00 49.67 ? 408 CLA A C4D 1 +HETATM 49806 C CMD . CLA UA 23 . ? 48.070 -26.413 -42.771 1.00 44.67 ? 408 CLA A CMD 1 +HETATM 49807 C CAD . CLA UA 23 . ? 47.799 -29.036 -45.236 1.00 48.12 ? 408 CLA A CAD 1 +HETATM 49808 O OBD . CLA UA 23 . ? 47.476 -28.064 -45.991 1.00 54.87 ? 408 CLA A OBD 1 +HETATM 49809 C CBD . CLA UA 23 . ? 47.881 -30.471 -45.634 1.00 48.69 ? 408 CLA A CBD 1 +HETATM 49810 C CGD . CLA UA 23 . ? 46.521 -30.925 -46.084 1.00 53.43 ? 408 CLA A CGD 1 +HETATM 49811 O O1D . CLA UA 23 . ? 45.678 -31.378 -45.317 1.00 55.29 ? 408 CLA A O1D 1 +HETATM 49812 O O2D . CLA UA 23 . ? 46.201 -30.837 -47.488 1.00 54.35 ? 408 CLA A O2D 1 +HETATM 49813 C CED . CLA UA 23 . ? 44.895 -31.194 -47.954 1.00 49.15 ? 408 CLA A CED 1 +HETATM 49814 C C1 . CLA UA 23 . ? 54.472 -34.515 -46.674 1.00 75.50 ? 408 CLA A C1 1 +HETATM 49815 C C2 . CLA UA 23 . ? 54.900 -35.966 -46.633 1.00 82.76 ? 408 CLA A C2 1 +HETATM 49816 C C3 . CLA UA 23 . ? 55.858 -36.369 -45.782 1.00 93.54 ? 408 CLA A C3 1 +HETATM 49817 C C4 . CLA UA 23 . ? 56.495 -35.373 -44.862 1.00 98.01 ? 408 CLA A C4 1 +HETATM 49818 C C5 . CLA UA 23 . ? 56.297 -37.816 -45.726 1.00 108.97 ? 408 CLA A C5 1 +HETATM 49819 C C6 . CLA UA 23 . ? 57.590 -38.024 -44.929 1.00 119.86 ? 408 CLA A C6 1 +HETATM 49820 C C7 . CLA UA 23 . ? 57.512 -39.244 -44.009 1.00 114.13 ? 408 CLA A C7 1 +HETATM 49821 C C8 . CLA UA 23 . ? 58.554 -40.339 -44.286 1.00 119.75 ? 408 CLA A C8 1 +HETATM 49822 C C9 . CLA UA 23 . ? 59.967 -39.923 -43.883 1.00 95.19 ? 408 CLA A C9 1 +HETATM 49823 C C10 . CLA UA 23 . ? 58.547 -40.784 -45.747 1.00 130.55 ? 408 CLA A C10 1 +HETATM 49824 C C11 . CLA UA 23 . ? 57.170 -41.199 -46.269 1.00 133.66 ? 408 CLA A C11 1 +HETATM 49825 C C12 . CLA UA 23 . ? 56.539 -42.381 -45.541 1.00 128.12 ? 408 CLA A C12 1 +HETATM 49826 C C13 . CLA UA 23 . ? 55.496 -43.025 -46.453 1.00 125.92 ? 408 CLA A C13 1 +HETATM 49827 C C14 . CLA UA 23 . ? 54.682 -41.963 -47.188 1.00 110.39 ? 408 CLA A C14 1 +HETATM 49828 C C15 . CLA UA 23 . ? 54.565 -43.959 -45.681 1.00 128.61 ? 408 CLA A C15 1 +HETATM 49829 C C16 . CLA UA 23 . ? 55.132 -44.496 -44.365 1.00 149.13 ? 408 CLA A C16 1 +HETATM 49830 C C17 . CLA UA 23 . ? 54.244 -45.619 -43.825 1.00 143.30 ? 408 CLA A C17 1 +HETATM 49831 C C18 . CLA UA 23 . ? 54.541 -45.983 -42.373 1.00 117.05 ? 408 CLA A C18 1 +HETATM 49832 C C19 . CLA UA 23 . ? 56.033 -45.933 -42.080 1.00 118.14 ? 408 CLA A C19 1 +HETATM 49833 C C20 . CLA UA 23 . ? 53.965 -47.353 -42.024 1.00 102.40 ? 408 CLA A C20 1 +HETATM 49834 C C1 . BCR VA 25 . ? 51.836 -36.341 -28.178 1.00 71.46 ? 409 BCR A C1 1 +HETATM 49835 C C2 . BCR VA 25 . ? 52.962 -37.323 -27.886 1.00 67.30 ? 409 BCR A C2 1 +HETATM 49836 C C3 . BCR VA 25 . ? 54.125 -37.137 -28.846 1.00 59.27 ? 409 BCR A C3 1 +HETATM 49837 C C4 . BCR VA 25 . ? 54.708 -35.742 -28.740 1.00 62.59 ? 409 BCR A C4 1 +HETATM 49838 C C5 . BCR VA 25 . ? 53.635 -34.681 -28.768 1.00 65.40 ? 409 BCR A C5 1 +HETATM 49839 C C6 . BCR VA 25 . ? 52.335 -34.948 -28.520 1.00 61.22 ? 409 BCR A C6 1 +HETATM 49840 C C7 . BCR VA 25 . ? 51.295 -33.877 -28.553 1.00 68.42 ? 409 BCR A C7 1 +HETATM 49841 C C8 . BCR VA 25 . ? 50.940 -33.266 -29.692 1.00 60.16 ? 409 BCR A C8 1 +HETATM 49842 C C9 . BCR VA 25 . ? 49.905 -32.219 -29.815 1.00 61.56 ? 409 BCR A C9 1 +HETATM 49843 C C10 . BCR VA 25 . ? 49.676 -31.714 -31.045 1.00 50.04 ? 409 BCR A C10 1 +HETATM 49844 C C11 . BCR VA 25 . ? 48.678 -30.694 -31.362 1.00 57.83 ? 409 BCR A C11 1 +HETATM 49845 C C33 . BCR VA 25 . ? 54.109 -33.292 -29.089 1.00 57.09 ? 409 BCR A C33 1 +HETATM 49846 C C31 . BCR VA 25 . ? 50.978 -36.179 -26.929 1.00 63.78 ? 409 BCR A C31 1 +HETATM 49847 C C32 . BCR VA 25 . ? 50.991 -36.924 -29.311 1.00 52.27 ? 409 BCR A C32 1 +HETATM 49848 C C34 . BCR VA 25 . ? 49.114 -31.786 -28.617 1.00 55.92 ? 409 BCR A C34 1 +HETATM 49849 C C12 . BCR VA 25 . ? 48.530 -30.288 -32.631 1.00 54.60 ? 409 BCR A C12 1 +HETATM 49850 C C13 . BCR VA 25 . ? 47.526 -29.261 -33.010 1.00 61.77 ? 409 BCR A C13 1 +HETATM 49851 C C14 . BCR VA 25 . ? 47.219 -29.079 -34.316 1.00 50.32 ? 409 BCR A C14 1 +HETATM 49852 C C15 . BCR VA 25 . ? 46.225 -28.096 -34.778 1.00 57.81 ? 409 BCR A C15 1 +HETATM 49853 C C16 . BCR VA 25 . ? 46.142 -27.758 -36.081 1.00 57.01 ? 409 BCR A C16 1 +HETATM 49854 C C17 . BCR VA 25 . ? 45.127 -26.810 -36.561 1.00 46.55 ? 409 BCR A C17 1 +HETATM 49855 C C18 . BCR VA 25 . ? 44.919 -26.548 -37.872 1.00 54.90 ? 409 BCR A C18 1 +HETATM 49856 C C19 . BCR VA 25 . ? 43.857 -25.586 -38.244 1.00 46.76 ? 409 BCR A C19 1 +HETATM 49857 C C20 . BCR VA 25 . ? 43.701 -25.038 -39.449 1.00 52.41 ? 409 BCR A C20 1 +HETATM 49858 C C21 . BCR VA 25 . ? 42.603 -24.076 -39.632 1.00 47.95 ? 409 BCR A C21 1 +HETATM 49859 C C22 . BCR VA 25 . ? 42.409 -23.306 -40.724 1.00 55.62 ? 409 BCR A C22 1 +HETATM 49860 C C23 . BCR VA 25 . ? 41.365 -22.442 -40.753 1.00 40.82 ? 409 BCR A C23 1 +HETATM 49861 C C24 . BCR VA 25 . ? 41.177 -21.619 -41.796 1.00 46.29 ? 409 BCR A C24 1 +HETATM 49862 C C25 . BCR VA 25 . ? 40.041 -20.651 -41.880 1.00 42.12 ? 409 BCR A C25 1 +HETATM 49863 C C26 . BCR VA 25 . ? 38.780 -21.081 -42.110 1.00 50.02 ? 409 BCR A C26 1 +HETATM 49864 C C27 . BCR VA 25 . ? 37.595 -20.149 -42.203 1.00 48.30 ? 409 BCR A C27 1 +HETATM 49865 C C28 . BCR VA 25 . ? 37.899 -18.779 -41.629 1.00 47.35 ? 409 BCR A C28 1 +HETATM 49866 C C29 . BCR VA 25 . ? 39.232 -18.273 -42.147 1.00 49.41 ? 409 BCR A C29 1 +HETATM 49867 C C30 . BCR VA 25 . ? 40.380 -19.182 -41.721 1.00 47.64 ? 409 BCR A C30 1 +HETATM 49868 C C35 . BCR VA 25 . ? 46.861 -28.431 -31.936 1.00 52.05 ? 409 BCR A C35 1 +HETATM 49869 C C36 . BCR VA 25 . ? 45.773 -27.182 -38.925 1.00 47.02 ? 409 BCR A C36 1 +HETATM 49870 C C37 . BCR VA 25 . ? 43.351 -23.420 -41.894 1.00 47.56 ? 409 BCR A C37 1 +HETATM 49871 C C38 . BCR VA 25 . ? 38.476 -22.543 -42.298 1.00 43.18 ? 409 BCR A C38 1 +HETATM 49872 C C39 . BCR VA 25 . ? 40.771 -18.881 -40.270 1.00 46.87 ? 409 BCR A C39 1 +HETATM 49873 C C40 . BCR VA 25 . ? 41.529 -18.920 -42.699 1.00 51.41 ? 409 BCR A C40 1 +HETATM 49874 O O6 A SQD WA 26 . ? 28.407 -71.940 -31.338 0.40 76.60 ? 410 SQD A O6 1 +HETATM 49875 O O6 B SQD WA 26 . ? 28.412 -71.987 -31.404 0.60 76.71 ? 410 SQD A O6 1 +HETATM 49876 C C44 A SQD WA 26 . ? 29.661 -71.270 -31.447 0.40 67.67 ? 410 SQD A C44 1 +HETATM 49877 C C44 B SQD WA 26 . ? 29.642 -71.265 -31.501 0.60 67.60 ? 410 SQD A C44 1 +HETATM 49878 C C45 A SQD WA 26 . ? 29.369 -69.935 -32.109 0.40 70.14 ? 410 SQD A C45 1 +HETATM 49879 C C45 B SQD WA 26 . ? 29.339 -69.935 -32.163 0.60 70.04 ? 410 SQD A C45 1 +HETATM 49880 C C46 A SQD WA 26 . ? 30.442 -69.667 -33.146 0.40 68.42 ? 410 SQD A C46 1 +HETATM 49881 C C46 B SQD WA 26 . ? 30.403 -69.653 -33.206 0.60 68.37 ? 410 SQD A C46 1 +HETATM 49882 O O47 A SQD WA 26 . ? 28.105 -70.088 -32.737 0.40 74.51 ? 410 SQD A O47 1 +HETATM 49883 O O47 B SQD WA 26 . ? 28.091 -70.124 -32.808 0.60 74.54 ? 410 SQD A O47 1 +HETATM 49884 C C7 A SQD WA 26 . ? 27.311 -68.886 -32.809 0.40 79.94 ? 410 SQD A C7 1 +HETATM 49885 C C7 B SQD WA 26 . ? 27.255 -68.952 -32.835 0.60 79.99 ? 410 SQD A C7 1 +HETATM 49886 O O49 A SQD WA 26 . ? 26.907 -68.380 -31.787 0.40 81.71 ? 410 SQD A O49 1 +HETATM 49887 O O49 B SQD WA 26 . ? 26.833 -68.515 -31.786 0.60 82.16 ? 410 SQD A O49 1 +HETATM 49888 C C8 A SQD WA 26 . ? 26.967 -68.304 -34.151 0.40 88.25 ? 410 SQD A C8 1 +HETATM 49889 C C8 B SQD WA 26 . ? 26.901 -68.322 -34.153 0.60 88.34 ? 410 SQD A C8 1 +HETATM 49890 C C9 A SQD WA 26 . ? 25.762 -67.390 -33.997 0.40 81.07 ? 410 SQD A C9 1 +HETATM 49891 C C9 B SQD WA 26 . ? 25.624 -67.512 -33.989 0.60 81.02 ? 410 SQD A C9 1 +HETATM 49892 C C10 A SQD WA 26 . ? 24.860 -67.503 -35.216 0.40 95.71 ? 410 SQD A C10 1 +HETATM 49893 C C10 B SQD WA 26 . ? 24.806 -67.553 -35.275 0.60 95.94 ? 410 SQD A C10 1 +HETATM 49894 C C11 A SQD WA 26 . ? 25.677 -67.333 -36.490 0.40 98.23 ? 410 SQD A C11 1 +HETATM 49895 C C11 B SQD WA 26 . ? 25.691 -67.371 -36.505 0.60 98.28 ? 410 SQD A C11 1 +HETATM 49896 C C12 A SQD WA 26 . ? 26.260 -65.928 -36.579 0.40 93.57 ? 410 SQD A C12 1 +HETATM 49897 C C12 B SQD WA 26 . ? 26.216 -65.943 -36.621 0.60 93.64 ? 410 SQD A C12 1 +HETATM 49898 C C13 A SQD WA 26 . ? 27.213 -65.823 -37.764 0.40 98.00 ? 410 SQD A C13 1 +HETATM 49899 C C13 B SQD WA 26 . ? 27.172 -65.823 -37.802 0.60 98.08 ? 410 SQD A C13 1 +HETATM 49900 C C14 A SQD WA 26 . ? 27.540 -64.365 -38.050 0.40 91.59 ? 410 SQD A C14 1 +HETATM 49901 C C14 B SQD WA 26 . ? 27.549 -64.371 -38.050 0.60 91.63 ? 410 SQD A C14 1 +HETATM 49902 C C15 A SQD WA 26 . ? 26.277 -63.519 -37.921 0.40 89.01 ? 410 SQD A C15 1 +HETATM 49903 C C15 B SQD WA 26 . ? 26.307 -63.492 -37.965 0.60 89.19 ? 410 SQD A C15 1 +HETATM 49904 C C16 A SQD WA 26 . ? 25.466 -63.589 -39.205 0.40 87.80 ? 410 SQD A C16 1 +HETATM 49905 C C16 B SQD WA 26 . ? 25.496 -63.584 -39.248 0.60 87.77 ? 410 SQD A C16 1 +HETATM 49906 C C17 A SQD WA 26 . ? 26.223 -62.841 -40.285 0.40 79.72 ? 410 SQD A C17 1 +HETATM 49907 C C17 B SQD WA 26 . ? 26.245 -62.863 -40.353 0.60 79.77 ? 410 SQD A C17 1 +HETATM 49908 C C18 A SQD WA 26 . ? 25.448 -61.601 -40.704 0.40 78.19 ? 410 SQD A C18 1 +HETATM 49909 C C18 B SQD WA 26 . ? 25.489 -61.616 -40.785 0.60 78.34 ? 410 SQD A C18 1 +HETATM 49910 C C19 A SQD WA 26 . ? 24.410 -61.979 -41.750 0.40 85.89 ? 410 SQD A C19 1 +HETATM 49911 C C19 B SQD WA 26 . ? 24.424 -61.978 -41.809 0.60 86.04 ? 410 SQD A C19 1 +HETATM 49912 C C20 A SQD WA 26 . ? 23.938 -60.723 -42.463 0.40 75.86 ? 410 SQD A C20 1 +HETATM 49913 C C20 B SQD WA 26 . ? 23.969 -60.727 -42.543 0.60 76.02 ? 410 SQD A C20 1 +HETATM 49914 C C21 A SQD WA 26 . ? 23.592 -59.666 -41.432 0.40 61.40 ? 410 SQD A C21 1 +HETATM 49915 C C21 B SQD WA 26 . ? 23.517 -59.676 -41.544 0.60 61.59 ? 410 SQD A C21 1 +HETATM 49916 C C22 A SQD WA 26 . ? 22.806 -58.563 -42.101 0.40 57.38 ? 410 SQD A C22 1 +HETATM 49917 C C22 B SQD WA 26 . ? 22.790 -58.558 -42.256 0.60 57.44 ? 410 SQD A C22 1 +HETATM 49918 O O48 A SQD WA 26 . ? 30.346 -70.671 -34.139 0.40 77.17 ? 410 SQD A O48 1 +HETATM 49919 O O48 B SQD WA 26 . ? 30.326 -70.671 -34.188 0.60 77.24 ? 410 SQD A O48 1 +HETATM 49920 C C23 A SQD WA 26 . ? 30.251 -70.240 -35.511 0.40 82.10 ? 410 SQD A C23 1 +HETATM 49921 C C23 B SQD WA 26 . ? 30.240 -70.271 -35.573 0.60 82.23 ? 410 SQD A C23 1 +HETATM 49922 O O10 A SQD WA 26 . ? 30.344 -69.046 -35.720 0.40 82.49 ? 410 SQD A O10 1 +HETATM 49923 O O10 B SQD WA 26 . ? 30.374 -69.091 -35.837 0.60 82.73 ? 410 SQD A O10 1 +HETATM 49924 C C24 A SQD WA 26 . ? 30.025 -71.236 -36.628 0.40 85.66 ? 410 SQD A C24 1 +HETATM 49925 C C24 B SQD WA 26 . ? 29.973 -71.289 -36.656 0.60 85.66 ? 410 SQD A C24 1 +HETATM 49926 C C25 A SQD WA 26 . ? 29.934 -70.476 -37.946 0.40 95.09 ? 410 SQD A C25 1 +HETATM 49927 C C25 B SQD WA 26 . ? 29.917 -70.539 -37.978 0.60 95.13 ? 410 SQD A C25 1 +HETATM 49928 C C26 A SQD WA 26 . ? 29.350 -71.313 -39.078 0.40 101.17 ? 410 SQD A C26 1 +HETATM 49929 C C26 B SQD WA 26 . ? 29.352 -71.381 -39.112 0.60 101.21 ? 410 SQD A C26 1 +HETATM 49930 C C27 A SQD WA 26 . ? 29.393 -70.505 -40.370 0.40 105.74 ? 410 SQD A C27 1 +HETATM 49931 C C27 B SQD WA 26 . ? 29.367 -70.536 -40.378 0.60 105.71 ? 410 SQD A C27 1 +HETATM 49932 C C28 A SQD WA 26 . ? 28.728 -71.217 -41.541 0.40 111.17 ? 410 SQD A C28 1 +HETATM 49933 C C28 B SQD WA 26 . ? 28.723 -71.244 -41.559 0.60 111.22 ? 410 SQD A C28 1 +HETATM 49934 C C29 A SQD WA 26 . ? 28.756 -70.307 -42.768 0.40 119.83 ? 410 SQD A C29 1 +HETATM 49935 C C29 B SQD WA 26 . ? 28.758 -70.319 -42.770 0.60 119.98 ? 410 SQD A C29 1 +HETATM 49936 C C30 A SQD WA 26 . ? 28.259 -70.998 -44.035 0.40 116.64 ? 410 SQD A C30 1 +HETATM 49937 C C30 B SQD WA 26 . ? 28.266 -71.020 -44.030 0.60 116.70 ? 410 SQD A C30 1 +HETATM 49938 C C31 A SQD WA 26 . ? 28.591 -70.149 -45.261 0.40 115.87 ? 410 SQD A C31 1 +HETATM 49939 C C31 B SQD WA 26 . ? 28.591 -70.178 -45.257 0.60 115.92 ? 410 SQD A C31 1 +HETATM 49940 C C32 A SQD WA 26 . ? 28.091 -70.787 -46.554 0.40 118.55 ? 410 SQD A C32 1 +HETATM 49941 C C32 B SQD WA 26 . ? 28.065 -70.832 -46.528 0.60 118.62 ? 410 SQD A C32 1 +HETATM 49942 C C33 A SQD WA 26 . ? 28.749 -72.139 -46.824 0.40 112.47 ? 410 SQD A C33 1 +HETATM 49943 C C33 B SQD WA 26 . ? 28.696 -72.202 -46.758 0.60 112.53 ? 410 SQD A C33 1 +HETATM 49944 C C34 A SQD WA 26 . ? 28.078 -72.833 -48.006 0.40 110.38 ? 410 SQD A C34 1 +HETATM 49945 C C34 B SQD WA 26 . ? 28.074 -72.871 -47.978 0.60 110.41 ? 410 SQD A C34 1 +HETATM 49946 C C35 A SQD WA 26 . ? 28.656 -74.223 -48.248 0.40 102.24 ? 410 SQD A C35 1 +HETATM 49947 C C35 B SQD WA 26 . ? 28.702 -74.231 -48.252 0.60 102.30 ? 410 SQD A C35 1 +HETATM 49948 C C36 A SQD WA 26 . ? 28.030 -74.864 -49.482 0.40 107.25 ? 410 SQD A C36 1 +HETATM 49949 C C36 B SQD WA 26 . ? 28.066 -74.874 -49.480 0.60 107.30 ? 410 SQD A C36 1 +HETATM 49950 C C37 A SQD WA 26 . ? 26.716 -75.565 -49.145 0.40 105.38 ? 410 SQD A C37 1 +HETATM 49951 C C37 B SQD WA 26 . ? 26.751 -75.567 -49.133 0.60 105.47 ? 410 SQD A C37 1 +HETATM 49952 C C38 A SQD WA 26 . ? 26.045 -76.121 -50.388 0.40 96.08 ? 410 SQD A C38 1 +HETATM 49953 C C38 B SQD WA 26 . ? 26.098 -76.159 -50.366 0.60 96.09 ? 410 SQD A C38 1 +HETATM 49954 C C1 A SQD WA 26 . ? 28.475 -72.718 -30.174 0.40 75.28 ? 410 SQD A C1 1 +HETATM 49955 C C1 B SQD WA 26 . ? 28.501 -72.722 -30.206 0.60 75.24 ? 410 SQD A C1 1 +HETATM 49956 C C2 A SQD WA 26 . ? 27.193 -72.946 -29.404 0.40 78.01 ? 410 SQD A C2 1 +HETATM 49957 C C2 B SQD WA 26 . ? 27.223 -72.953 -29.421 0.60 78.05 ? 410 SQD A C2 1 +HETATM 49958 O O2 A SQD WA 26 . ? 26.286 -71.850 -29.521 0.40 81.22 ? 410 SQD A O2 1 +HETATM 49959 O O2 B SQD WA 26 . ? 26.318 -71.850 -29.508 0.60 81.37 ? 410 SQD A O2 1 +HETATM 49960 C C3 A SQD WA 26 . ? 27.772 -73.052 -28.000 0.40 71.31 ? 410 SQD A C3 1 +HETATM 49961 C C3 B SQD WA 26 . ? 27.785 -73.105 -28.014 0.60 71.30 ? 410 SQD A C3 1 +HETATM 49962 O O3 A SQD WA 26 . ? 26.752 -73.119 -27.006 0.40 75.71 ? 410 SQD A O3 1 +HETATM 49963 O O3 B SQD WA 26 . ? 26.741 -73.215 -27.044 0.60 76.04 ? 410 SQD A O3 1 +HETATM 49964 C C4 A SQD WA 26 . ? 28.737 -74.239 -27.943 0.40 71.96 ? 410 SQD A C4 1 +HETATM 49965 C C4 B SQD WA 26 . ? 28.749 -74.298 -27.982 0.60 71.93 ? 410 SQD A C4 1 +HETATM 49966 O O4 A SQD WA 26 . ? 29.456 -74.117 -26.717 0.40 73.86 ? 410 SQD A O4 1 +HETATM 49967 O O4 B SQD WA 26 . ? 29.448 -74.251 -26.740 0.60 73.91 ? 410 SQD A O4 1 +HETATM 49968 C C5 A SQD WA 26 . ? 29.741 -74.219 -29.117 0.40 74.42 ? 410 SQD A C5 1 +HETATM 49969 C C5 B SQD WA 26 . ? 29.786 -74.230 -29.122 0.60 74.37 ? 410 SQD A C5 1 +HETATM 49970 C C6 A SQD WA 26 . ? 30.654 -75.435 -29.211 0.40 72.22 ? 410 SQD A C6 1 +HETATM 49971 C C6 B SQD WA 26 . ? 30.722 -75.435 -29.218 0.60 72.14 ? 410 SQD A C6 1 +HETATM 49972 O O5 A SQD WA 26 . ? 29.085 -73.986 -30.370 0.40 73.28 ? 410 SQD A O5 1 +HETATM 49973 O O5 B SQD WA 26 . ? 29.150 -73.977 -30.378 0.60 73.21 ? 410 SQD A O5 1 +HETATM 49974 S S A SQD WA 26 . ? 31.873 -75.134 -30.310 0.40 71.00 ? 410 SQD A S 1 +HETATM 49975 S S B SQD WA 26 . ? 31.923 -75.150 -30.345 0.60 70.69 ? 410 SQD A S 1 +HETATM 49976 O O7 A SQD WA 26 . ? 32.864 -76.215 -30.235 0.40 79.47 ? 410 SQD A O7 1 +HETATM 49977 O O7 B SQD WA 26 . ? 32.847 -76.289 -30.364 0.60 79.86 ? 410 SQD A O7 1 +HETATM 49978 O O8 A SQD WA 26 . ? 31.299 -75.053 -31.662 0.40 74.83 ? 410 SQD A O8 1 +HETATM 49979 O O8 B SQD WA 26 . ? 31.320 -74.993 -31.679 0.60 74.79 ? 410 SQD A O8 1 +HETATM 49980 O O9 A SQD WA 26 . ? 32.585 -73.888 -29.962 0.40 73.15 ? 410 SQD A O9 1 +HETATM 49981 O O9 B SQD WA 26 . ? 32.743 -73.970 -30.002 0.60 73.14 ? 410 SQD A O9 1 +HETATM 49982 C C1 . GOL XA 27 . ? 41.471 -14.882 -43.522 1.00 64.06 ? 411 GOL A C1 1 +HETATM 49983 O O1 . GOL XA 27 . ? 40.530 -14.288 -42.695 1.00 81.42 ? 411 GOL A O1 1 +HETATM 49984 C C2 . GOL XA 27 . ? 40.967 -14.684 -44.989 1.00 83.11 ? 411 GOL A C2 1 +HETATM 49985 O O2 . GOL XA 27 . ? 42.035 -14.435 -45.846 1.00 91.65 ? 411 GOL A O2 1 +HETATM 49986 C C3 . GOL XA 27 . ? 39.925 -13.498 -44.977 1.00 69.00 ? 411 GOL A C3 1 +HETATM 49987 O O3 . GOL XA 27 . ? 38.766 -13.975 -44.332 1.00 85.87 ? 411 GOL A O3 1 +HETATM 49988 O O6 . SQD YA 26 . ? 48.199 -36.235 -17.605 1.00 106.55 ? 412 SQD A O6 1 +HETATM 49989 C C44 . SQD YA 26 . ? 46.896 -36.301 -17.028 1.00 88.91 ? 412 SQD A C44 1 +HETATM 49990 C C45 . SQD YA 26 . ? 45.953 -36.533 -18.195 1.00 89.65 ? 412 SQD A C45 1 +HETATM 49991 C C46 . SQD YA 26 . ? 45.021 -35.340 -18.367 1.00 65.68 ? 412 SQD A C46 1 +HETATM 49992 O O47 . SQD YA 26 . ? 46.770 -36.629 -19.365 1.00 92.86 ? 412 SQD A O47 1 +HETATM 49993 C C7 . SQD YA 26 . ? 46.901 -37.971 -19.904 1.00 73.36 ? 412 SQD A C7 1 +HETATM 49994 O O49 . SQD YA 26 . ? 46.138 -38.848 -19.538 1.00 81.90 ? 412 SQD A O49 1 +HETATM 49995 C C8 . SQD YA 26 . ? 47.973 -38.270 -20.916 1.00 71.15 ? 412 SQD A C8 1 +HETATM 49996 C C9 . SQD YA 26 . ? 47.764 -37.365 -22.116 1.00 72.30 ? 412 SQD A C9 1 +HETATM 49997 C C10 . SQD YA 26 . ? 46.314 -37.391 -22.569 1.00 81.29 ? 412 SQD A C10 1 +HETATM 49998 C C11 . SQD YA 26 . ? 46.148 -36.519 -23.809 1.00 77.74 ? 412 SQD A C11 1 +HETATM 49999 C C12 . SQD YA 26 . ? 44.855 -36.837 -24.543 1.00 76.47 ? 412 SQD A C12 1 +HETATM 50000 C C13 . SQD YA 26 . ? 44.659 -35.890 -25.725 1.00 76.89 ? 412 SQD A C13 1 +HETATM 50001 C C14 . SQD YA 26 . ? 43.631 -36.480 -26.686 1.00 90.96 ? 412 SQD A C14 1 +HETATM 50002 C C15 . SQD YA 26 . ? 43.090 -35.392 -27.613 1.00 80.63 ? 412 SQD A C15 1 +HETATM 50003 C C16 . SQD YA 26 . ? 42.033 -35.940 -28.566 1.00 68.13 ? 412 SQD A C16 1 +HETATM 50004 C C17 . SQD YA 26 . ? 41.860 -34.947 -29.696 1.00 79.56 ? 412 SQD A C17 1 +HETATM 50005 C C18 . SQD YA 26 . ? 40.449 -34.972 -30.260 1.00 82.66 ? 412 SQD A C18 1 +HETATM 50006 C C19 . SQD YA 26 . ? 39.428 -34.395 -29.290 1.00 73.10 ? 412 SQD A C19 1 +HETATM 50007 C C20 . SQD YA 26 . ? 38.549 -33.418 -30.059 1.00 78.67 ? 412 SQD A C20 1 +HETATM 50008 C C21 . SQD YA 26 . ? 37.315 -33.037 -29.256 1.00 73.42 ? 412 SQD A C21 1 +HETATM 50009 C C22 . SQD YA 26 . ? 36.518 -34.279 -28.926 1.00 77.97 ? 412 SQD A C22 1 +HETATM 50010 O O48 . SQD YA 26 . ? 45.788 -34.185 -18.691 1.00 84.14 ? 412 SQD A O48 1 +HETATM 50011 C C23 . SQD YA 26 . ? 45.398 -33.329 -19.807 1.00 90.01 ? 412 SQD A C23 1 +HETATM 50012 O O10 . SQD YA 26 . ? 44.792 -33.838 -20.738 1.00 90.02 ? 412 SQD A O10 1 +HETATM 50013 C C24 . SQD YA 26 . ? 45.730 -31.844 -19.810 1.00 86.22 ? 412 SQD A C24 1 +HETATM 50014 C C25 . SQD YA 26 . ? 46.732 -31.479 -20.912 1.00 112.19 ? 412 SQD A C25 1 +HETATM 50015 C C26 . SQD YA 26 . ? 46.961 -29.964 -21.033 1.00 97.13 ? 412 SQD A C26 1 +HETATM 50016 C C27 . SQD YA 26 . ? 48.192 -29.637 -21.886 1.00 102.93 ? 412 SQD A C27 1 +HETATM 50017 C C28 . SQD YA 26 . ? 48.242 -28.202 -22.420 1.00 82.06 ? 412 SQD A C28 1 +HETATM 50018 C C29 . SQD YA 26 . ? 47.724 -28.153 -23.859 1.00 110.31 ? 412 SQD A C29 1 +HETATM 50019 C C30 . SQD YA 26 . ? 48.618 -27.323 -24.776 1.00 118.39 ? 412 SQD A C30 1 +HETATM 50020 C C31 . SQD YA 26 . ? 48.383 -27.619 -26.263 1.00 123.26 ? 412 SQD A C31 1 +HETATM 50021 C C32 . SQD YA 26 . ? 47.030 -27.111 -26.758 1.00 114.16 ? 412 SQD A C32 1 +HETATM 50022 C C33 . SQD YA 26 . ? 47.115 -26.627 -28.204 1.00 112.45 ? 412 SQD A C33 1 +HETATM 50023 C C34 . SQD YA 26 . ? 45.959 -25.682 -28.546 1.00 118.48 ? 412 SQD A C34 1 +HETATM 50024 C C35 . SQD YA 26 . ? 46.168 -24.906 -29.856 1.00 115.88 ? 412 SQD A C35 1 +HETATM 50025 C C36 . SQD YA 26 . ? 44.944 -24.051 -30.184 1.00 86.22 ? 412 SQD A C36 1 +HETATM 50026 C C37 . SQD YA 26 . ? 44.880 -23.592 -31.639 1.00 87.21 ? 412 SQD A C37 1 +HETATM 50027 C C38 . SQD YA 26 . ? 43.574 -22.854 -31.868 1.00 76.72 ? 412 SQD A C38 1 +HETATM 50028 C C1 . SQD YA 26 . ? 49.229 -36.573 -16.683 1.00 123.40 ? 412 SQD A C1 1 +HETATM 50029 C C2 . SQD YA 26 . ? 50.260 -37.502 -17.320 1.00 127.65 ? 412 SQD A C2 1 +HETATM 50030 O O2 . SQD YA 26 . ? 49.639 -38.584 -18.028 1.00 118.70 ? 412 SQD A O2 1 +HETATM 50031 C C3 . SQD YA 26 . ? 51.116 -38.001 -16.165 1.00 140.66 ? 412 SQD A C3 1 +HETATM 50032 O O3 . SQD YA 26 . ? 52.010 -39.052 -16.564 1.00 132.44 ? 412 SQD A O3 1 +HETATM 50033 C C4 . SQD YA 26 . ? 51.855 -36.786 -15.615 1.00 141.33 ? 412 SQD A C4 1 +HETATM 50034 O O4 . SQD YA 26 . ? 52.692 -37.184 -14.524 1.00 150.38 ? 412 SQD A O4 1 +HETATM 50035 C C5 . SQD YA 26 . ? 50.840 -35.738 -15.152 1.00 134.51 ? 412 SQD A C5 1 +HETATM 50036 C C6 . SQD YA 26 . ? 51.535 -34.474 -14.661 1.00 148.90 ? 412 SQD A C6 1 +HETATM 50037 O O5 . SQD YA 26 . ? 49.910 -35.406 -16.196 1.00 116.56 ? 412 SQD A O5 1 +HETATM 50038 S S . SQD YA 26 . ? 50.594 -33.727 -13.499 1.00 120.59 ? 412 SQD A S 1 +HETATM 50039 O O7 . SQD YA 26 . ? 49.325 -33.270 -14.119 1.00 101.55 ? 412 SQD A O7 1 +HETATM 50040 O O8 . SQD YA 26 . ? 50.291 -34.661 -12.384 1.00 105.62 ? 412 SQD A O8 1 +HETATM 50041 O O9 . SQD YA 26 . ? 51.355 -32.558 -12.998 1.00 116.41 ? 412 SQD A O9 1 +HETATM 50042 O O1 A OEX ZA 28 . ? 26.806 -37.405 -61.650 0.40 42.31 ? 413 OEX A O1 1 +HETATM 50043 O O1 B OEX ZA 28 . ? 26.788 -37.434 -61.713 0.60 42.11 ? 413 OEX A O1 1 +HETATM 50044 CA CA1 A OEX ZA 28 . ? 28.246 -37.645 -59.504 0.40 50.15 ? 413 OEX A CA1 1 +HETATM 50045 CA CA1 B OEX ZA 28 . ? 28.195 -37.756 -59.552 0.60 49.77 ? 413 OEX A CA1 1 +HETATM 50046 MN MN1 A OEX ZA 28 . ? 25.417 -36.433 -61.167 0.40 44.62 ? 413 OEX A MN1 1 +HETATM 50047 MN MN1 B OEX ZA 28 . ? 25.441 -36.419 -61.178 0.60 44.59 ? 413 OEX A MN1 1 +HETATM 50048 O O2 A OEX ZA 28 . ? 28.810 -35.642 -61.078 0.40 43.26 ? 413 OEX A O2 1 +HETATM 50049 O O2 B OEX ZA 28 . ? 28.775 -35.728 -61.039 0.60 50.51 ? 413 OEX A O2 1 +HETATM 50050 MN MN2 A OEX ZA 28 . ? 27.840 -36.190 -62.553 0.40 46.53 ? 413 OEX A MN2 1 +HETATM 50051 MN MN2 B OEX ZA 28 . ? 27.831 -36.151 -62.580 0.60 46.63 ? 413 OEX A MN2 1 +HETATM 50052 O O3 A OEX ZA 28 . ? 26.447 -35.010 -61.958 0.40 44.57 ? 413 OEX A O3 1 +HETATM 50053 O O3 B OEX ZA 28 . ? 26.486 -35.010 -61.913 0.60 45.69 ? 413 OEX A O3 1 +HETATM 50054 MN MN3 A OEX ZA 28 . ? 27.703 -34.310 -60.493 0.40 44.86 ? 413 OEX A MN3 1 +HETATM 50055 MN MN3 B OEX ZA 28 . ? 27.730 -34.335 -60.496 0.60 44.85 ? 413 OEX A MN3 1 +HETATM 50056 O O4 A OEX ZA 28 . ? 29.075 -33.720 -59.256 0.40 45.10 ? 413 OEX A O4 1 +HETATM 50057 O O4 B OEX ZA 28 . ? 29.135 -33.849 -59.315 0.60 44.35 ? 413 OEX A O4 1 +HETATM 50058 MN MN4 A OEX ZA 28 . ? 28.076 -34.236 -57.775 0.40 48.13 ? 413 OEX A MN4 1 +HETATM 50059 MN MN4 B OEX ZA 28 . ? 28.086 -34.085 -57.729 0.60 49.24 ? 413 OEX A MN4 1 +HETATM 50060 O O5 A OEX ZA 28 . ? 26.894 -35.525 -59.226 0.40 47.49 ? 413 OEX A O5 1 +HETATM 50061 O O5 B OEX ZA 28 . ? 26.926 -35.490 -59.113 0.60 48.10 ? 413 OEX A O5 1 +HETATM 50062 C C2 A PL9 AB 29 . ? 18.396 -64.474 -26.095 0.40 87.05 ? 414 PL9 A C2 1 +HETATM 50063 C C2 B PL9 AB 29 . ? 18.349 -64.519 -26.069 0.60 87.01 ? 414 PL9 A C2 1 +HETATM 50064 C C3 A PL9 AB 29 . ? 18.773 -63.142 -25.944 0.40 95.81 ? 414 PL9 A C3 1 +HETATM 50065 C C3 B PL9 AB 29 . ? 18.737 -63.184 -25.955 0.60 96.10 ? 414 PL9 A C3 1 +HETATM 50066 C C4 A PL9 AB 29 . ? 19.306 -62.616 -24.661 0.40 90.14 ? 414 PL9 A C4 1 +HETATM 50067 C C4 B PL9 AB 29 . ? 19.348 -62.648 -24.712 0.60 90.40 ? 414 PL9 A C4 1 +HETATM 50068 C C5 A PL9 AB 29 . ? 19.446 -63.529 -23.489 0.40 98.62 ? 414 PL9 A C5 1 +HETATM 50069 C C5 B PL9 AB 29 . ? 19.510 -63.550 -23.536 0.60 99.07 ? 414 PL9 A C5 1 +HETATM 50070 C C6 A PL9 AB 29 . ? 19.061 -64.953 -23.716 0.40 89.74 ? 414 PL9 A C6 1 +HETATM 50071 C C6 B PL9 AB 29 . ? 19.067 -64.965 -23.704 0.60 89.83 ? 414 PL9 A C6 1 +HETATM 50072 C C1 A PL9 AB 29 . ? 18.540 -65.374 -25.052 0.40 92.43 ? 414 PL9 A C1 1 +HETATM 50073 C C1 B PL9 AB 29 . ? 18.486 -65.405 -25.008 0.60 92.68 ? 414 PL9 A C1 1 +HETATM 50074 C C7 A PL9 AB 29 . ? 18.554 -62.215 -27.103 0.40 91.75 ? 414 PL9 A C7 1 +HETATM 50075 C C7 B PL9 AB 29 . ? 18.533 -62.275 -27.136 0.60 92.04 ? 414 PL9 A C7 1 +HETATM 50076 C C8 A PL9 AB 29 . ? 18.354 -62.998 -28.377 0.40 96.67 ? 414 PL9 A C8 1 +HETATM 50077 C C8 B PL9 AB 29 . ? 18.415 -63.051 -28.424 0.60 96.91 ? 414 PL9 A C8 1 +HETATM 50078 C C9 A PL9 AB 29 . ? 18.812 -62.453 -29.497 0.40 87.81 ? 414 PL9 A C9 1 +HETATM 50079 C C9 B PL9 AB 29 . ? 18.852 -62.484 -29.545 0.60 87.92 ? 414 PL9 A C9 1 +HETATM 50080 C C10 A PL9 AB 29 . ? 19.564 -61.162 -29.359 0.40 82.16 ? 414 PL9 A C10 1 +HETATM 50081 C C10 B PL9 AB 29 . ? 19.528 -61.152 -29.434 0.60 82.42 ? 414 PL9 A C10 1 +HETATM 50082 C C11 A PL9 AB 29 . ? 18.921 -63.272 -30.762 0.40 89.30 ? 414 PL9 A C11 1 +HETATM 50083 C C11 B PL9 AB 29 . ? 18.965 -63.287 -30.818 0.60 89.37 ? 414 PL9 A C11 1 +HETATM 50084 C C12 A PL9 AB 29 . ? 17.904 -64.407 -30.812 0.40 95.42 ? 414 PL9 A C12 1 +HETATM 50085 C C12 B PL9 AB 29 . ? 17.935 -64.407 -30.857 0.60 95.49 ? 414 PL9 A C12 1 +HETATM 50086 C C13 A PL9 AB 29 . ? 16.956 -64.074 -31.938 0.40 101.13 ? 414 PL9 A C13 1 +HETATM 50087 C C13 B PL9 AB 29 . ? 16.941 -64.058 -31.934 0.60 101.35 ? 414 PL9 A C13 1 +HETATM 50088 C C14 A PL9 AB 29 . ? 16.498 -64.998 -32.791 0.40 97.94 ? 414 PL9 A C14 1 +HETATM 50089 C C14 B PL9 AB 29 . ? 16.492 -64.982 -32.789 0.60 97.93 ? 414 PL9 A C14 1 +HETATM 50090 C C15 A PL9 AB 29 . ? 16.997 -66.406 -32.711 0.40 103.78 ? 414 PL9 A C15 1 +HETATM 50091 C C15 B PL9 AB 29 . ? 17.073 -66.363 -32.776 0.60 103.90 ? 414 PL9 A C15 1 +HETATM 50092 C C16 A PL9 AB 29 . ? 15.585 -64.555 -33.908 0.40 103.12 ? 414 PL9 A C16 1 +HETATM 50093 C C16 B PL9 AB 29 . ? 15.547 -64.552 -33.880 0.60 103.11 ? 414 PL9 A C16 1 +HETATM 50094 C C17 A PL9 AB 29 . ? 15.047 -65.746 -34.684 0.40 115.06 ? 414 PL9 A C17 1 +HETATM 50095 C C17 B PL9 AB 29 . ? 15.023 -65.754 -34.647 0.60 115.16 ? 414 PL9 A C17 1 +HETATM 50096 C C18 A PL9 AB 29 . ? 13.588 -65.906 -34.342 0.40 111.65 ? 414 PL9 A C18 1 +HETATM 50097 C C18 B PL9 AB 29 . ? 13.563 -65.893 -34.306 0.60 111.70 ? 414 PL9 A C18 1 +HETATM 50098 C C19 A PL9 AB 29 . ? 12.654 -65.875 -35.304 0.40 115.29 ? 414 PL9 A C19 1 +HETATM 50099 C C19 B PL9 AB 29 . ? 12.635 -65.840 -35.270 0.60 115.41 ? 414 PL9 A C19 1 +HETATM 50100 C C20 A PL9 AB 29 . ? 13.027 -65.586 -36.731 0.40 109.38 ? 414 PL9 A C20 1 +HETATM 50101 C C20 B PL9 AB 29 . ? 13.030 -65.565 -36.695 0.60 109.41 ? 414 PL9 A C20 1 +HETATM 50102 C C21 A PL9 AB 29 . ? 11.206 -66.034 -34.911 0.40 110.16 ? 414 PL9 A C21 1 +HETATM 50103 C C21 B PL9 AB 29 . ? 11.183 -65.968 -34.887 0.60 110.20 ? 414 PL9 A C21 1 +HETATM 50104 C C22 A PL9 AB 29 . ? 10.310 -65.613 -36.065 0.40 105.10 ? 414 PL9 A C22 1 +HETATM 50105 C C22 B PL9 AB 29 . ? 10.302 -65.634 -36.080 0.60 105.04 ? 414 PL9 A C22 1 +HETATM 50106 C C23 A PL9 AB 29 . ? 8.869 -65.793 -35.652 0.40 107.51 ? 414 PL9 A C23 1 +HETATM 50107 C C23 B PL9 AB 29 . ? 8.861 -65.840 -35.686 0.60 107.65 ? 414 PL9 A C23 1 +HETATM 50108 C C24 A PL9 AB 29 . ? 7.903 -65.646 -36.569 0.40 111.99 ? 414 PL9 A C24 1 +HETATM 50109 C C24 B PL9 AB 29 . ? 7.894 -65.690 -36.600 0.60 112.19 ? 414 PL9 A C24 1 +HETATM 50110 C C25 A PL9 AB 29 . ? 8.258 -65.311 -37.985 0.40 117.41 ? 414 PL9 A C25 1 +HETATM 50111 C C25 B PL9 AB 29 . ? 8.241 -65.305 -38.004 0.60 117.54 ? 414 PL9 A C25 1 +HETATM 50112 C C26 A PL9 AB 29 . ? 6.454 -65.849 -36.211 0.40 102.17 ? 414 PL9 A C26 1 +HETATM 50113 C C26 B PL9 AB 29 . ? 6.448 -65.895 -36.233 0.60 102.28 ? 414 PL9 A C26 1 +HETATM 50114 C C27 A PL9 AB 29 . ? 5.780 -66.668 -37.305 0.40 103.35 ? 414 PL9 A C27 1 +HETATM 50115 C C27 B PL9 AB 29 . ? 5.736 -66.597 -37.382 0.60 103.29 ? 414 PL9 A C27 1 +HETATM 50116 C C28 A PL9 AB 29 . ? 4.383 -67.009 -36.849 0.40 103.33 ? 414 PL9 A C28 1 +HETATM 50117 C C28 B PL9 AB 29 . ? 4.333 -66.932 -36.937 0.60 103.56 ? 414 PL9 A C28 1 +HETATM 50118 C C29 A PL9 AB 29 . ? 3.721 -68.020 -37.421 0.40 99.58 ? 414 PL9 A C29 1 +HETATM 50119 C C29 B PL9 AB 29 . ? 3.702 -67.996 -37.445 0.60 99.54 ? 414 PL9 A C29 1 +HETATM 50120 C C30 A PL9 AB 29 . ? 4.396 -68.844 -38.479 0.40 107.83 ? 414 PL9 A C30 1 +HETATM 50121 C C30 B PL9 AB 29 . ? 4.429 -68.890 -38.406 0.60 107.94 ? 414 PL9 A C30 1 +HETATM 50122 C C31 A PL9 AB 29 . ? 2.316 -68.351 -36.982 0.40 93.36 ? 414 PL9 A C31 1 +HETATM 50123 C C31 B PL9 AB 29 . ? 2.296 -68.333 -37.004 0.60 93.30 ? 414 PL9 A C31 1 +HETATM 50124 C C32 A PL9 AB 29 . ? 2.185 -69.867 -37.023 0.40 102.76 ? 414 PL9 A C32 1 +HETATM 50125 C C32 B PL9 AB 29 . ? 2.157 -69.849 -37.031 0.60 102.87 ? 414 PL9 A C32 1 +HETATM 50126 C C33 A PL9 AB 29 . ? 0.802 -70.345 -36.645 0.40 96.53 ? 414 PL9 A C33 1 +HETATM 50127 C C33 B PL9 AB 29 . ? 0.786 -70.329 -36.604 0.60 96.64 ? 414 PL9 A C33 1 +HETATM 50128 C C34 A PL9 AB 29 . ? 0.488 -71.611 -36.941 0.40 90.24 ? 414 PL9 A C34 1 +HETATM 50129 C C34 B PL9 AB 29 . ? 0.474 -71.608 -36.860 0.60 90.19 ? 414 PL9 A C34 1 +HETATM 50130 C C35 A PL9 AB 29 . ? 1.583 -72.491 -37.468 0.40 102.76 ? 414 PL9 A C35 1 +HETATM 50131 C C35 B PL9 AB 29 . ? 1.541 -72.504 -37.414 0.60 102.97 ? 414 PL9 A C35 1 +HETATM 50132 C C36 A PL9 AB 29 . ? -0.809 -72.232 -36.480 0.40 81.83 ? 414 PL9 A C36 1 +HETATM 50133 C C36 B PL9 AB 29 . ? -0.834 -72.212 -36.412 0.60 81.75 ? 414 PL9 A C36 1 +HETATM 50134 C C37 A PL9 AB 29 . ? -0.463 -72.991 -35.206 0.40 90.73 ? 414 PL9 A C37 1 +HETATM 50135 C C37 B PL9 AB 29 . ? -0.501 -73.037 -35.178 0.60 90.78 ? 414 PL9 A C37 1 +HETATM 50136 C C38 A PL9 AB 29 . ? -1.700 -73.487 -34.493 0.40 100.06 ? 414 PL9 A C38 1 +HETATM 50137 C C38 B PL9 AB 29 . ? -1.745 -73.523 -34.474 0.60 100.18 ? 414 PL9 A C38 1 +HETATM 50138 C C39 A PL9 AB 29 . ? -1.591 -73.903 -33.220 0.40 101.30 ? 414 PL9 A C39 1 +HETATM 50139 C C39 B PL9 AB 29 . ? -1.643 -73.901 -33.192 0.60 101.45 ? 414 PL9 A C39 1 +HETATM 50140 C C40 A PL9 AB 29 . ? -0.245 -73.854 -32.561 0.40 94.03 ? 414 PL9 A C40 1 +HETATM 50141 C C40 B PL9 AB 29 . ? -0.313 -73.784 -32.506 0.60 94.03 ? 414 PL9 A C40 1 +HETATM 50142 C C41 A PL9 AB 29 . ? -2.801 -74.382 -32.436 0.40 108.08 ? 414 PL9 A C41 1 +HETATM 50143 C C41 B PL9 AB 29 . ? -2.851 -74.402 -32.425 0.60 108.22 ? 414 PL9 A C41 1 +HETATM 50144 C C42 A PL9 AB 29 . ? -3.336 -73.312 -31.479 0.40 102.34 ? 414 PL9 A C42 1 +HETATM 50145 C C42 B PL9 AB 29 . ? -3.419 -73.332 -31.494 0.60 102.40 ? 414 PL9 A C42 1 +HETATM 50146 C C43 A PL9 AB 29 . ? -4.350 -72.410 -32.161 0.40 106.36 ? 414 PL9 A C43 1 +HETATM 50147 C C43 B PL9 AB 29 . ? -4.451 -72.486 -32.211 0.60 106.71 ? 414 PL9 A C43 1 +HETATM 50148 C C44 A PL9 AB 29 . ? -5.521 -72.085 -31.576 0.40 97.71 ? 414 PL9 A C44 1 +HETATM 50149 C C44 B PL9 AB 29 . ? -5.606 -72.134 -31.616 0.60 97.73 ? 414 PL9 A C44 1 +HETATM 50150 C C45 A PL9 AB 29 . ? -5.907 -72.749 -30.292 0.40 108.95 ? 414 PL9 A C45 1 +HETATM 50151 C C45 B PL9 AB 29 . ? -5.939 -72.686 -30.263 0.60 109.07 ? 414 PL9 A C45 1 +HETATM 50152 C C46 A PL9 AB 29 . ? -6.537 -71.224 -32.298 0.40 89.95 ? 414 PL9 A C46 1 +HETATM 50153 C C46 B PL9 AB 29 . ? -6.644 -71.325 -32.360 0.60 89.60 ? 414 PL9 A C46 1 +HETATM 50154 C C47 A PL9 AB 29 . ? -6.253 -71.329 -33.794 0.40 110.11 ? 414 PL9 A C47 1 +HETATM 50155 C C47 B PL9 AB 29 . ? -6.281 -71.323 -33.841 0.60 110.29 ? 414 PL9 A C47 1 +HETATM 50156 C C48 A PL9 AB 29 . ? -7.521 -71.399 -34.615 0.40 112.71 ? 414 PL9 A C48 1 +HETATM 50157 C C48 B PL9 AB 29 . ? -7.511 -71.415 -34.716 0.60 112.80 ? 414 PL9 A C48 1 +HETATM 50158 C C49 A PL9 AB 29 . ? -7.451 -71.404 -35.960 0.40 115.80 ? 414 PL9 A C49 1 +HETATM 50159 C C49 B PL9 AB 29 . ? -7.384 -71.402 -36.053 0.60 116.05 ? 414 PL9 A C49 1 +HETATM 50160 C C50 A PL9 AB 29 . ? -8.715 -71.510 -36.762 0.40 120.18 ? 414 PL9 A C50 1 +HETATM 50161 C C50 B PL9 AB 29 . ? -8.606 -71.526 -36.914 0.60 120.64 ? 414 PL9 A C50 1 +HETATM 50162 C C51 A PL9 AB 29 . ? -6.129 -71.253 -36.674 0.40 108.66 ? 414 PL9 A C51 1 +HETATM 50163 C C51 B PL9 AB 29 . ? -6.029 -71.259 -36.698 0.60 108.56 ? 414 PL9 A C51 1 +HETATM 50164 C C52 A PL9 AB 29 . ? 20.024 -63.059 -22.162 0.40 74.86 ? 414 PL9 A C52 1 +HETATM 50165 C C52 B PL9 AB 29 . ? 20.143 -63.058 -22.249 0.60 74.68 ? 414 PL9 A C52 1 +HETATM 50166 C C53 A PL9 AB 29 . ? 19.189 -65.953 -22.602 0.40 87.84 ? 414 PL9 A C53 1 +HETATM 50167 C C53 B PL9 AB 29 . ? 19.223 -65.957 -22.583 0.60 87.99 ? 414 PL9 A C53 1 +HETATM 50168 O O1 A PL9 AB 29 . ? 19.646 -61.425 -24.605 0.40 79.45 ? 414 PL9 A O1 1 +HETATM 50169 O O1 B PL9 AB 29 . ? 19.720 -61.459 -24.676 0.60 79.57 ? 414 PL9 A O1 1 +HETATM 50170 O O2 A PL9 AB 29 . ? 18.205 -66.557 -25.256 0.40 98.39 ? 414 PL9 A O2 1 +HETATM 50171 O O2 B PL9 AB 29 . ? 18.103 -66.583 -25.158 0.60 99.35 ? 414 PL9 A O2 1 +HETATM 50172 C C10 . UNL BB 30 . ? 59.927 -34.836 -23.863 1.00 115.90 ? 415 UNL A C10 1 +HETATM 50173 C C23 . UNL BB 30 . ? 55.721 -36.222 -21.319 1.00 113.28 ? 415 UNL A C23 1 +HETATM 50174 C C24 . UNL BB 30 . ? 56.143 -36.535 -22.737 1.00 94.57 ? 415 UNL A C24 1 +HETATM 50175 C C25 . UNL BB 30 . ? 56.256 -35.250 -23.557 1.00 113.14 ? 415 UNL A C25 1 +HETATM 50176 C C26 . UNL BB 30 . ? 54.907 -34.664 -23.970 1.00 93.27 ? 415 UNL A C26 1 +HETATM 50177 C C27 . UNL BB 30 . ? 55.137 -33.426 -24.825 1.00 112.12 ? 415 UNL A C27 1 +HETATM 50178 C C28 . UNL BB 30 . ? 53.856 -32.633 -25.072 1.00 117.66 ? 415 UNL A C28 1 +HETATM 50179 C C29 . UNL BB 30 . ? 54.210 -31.302 -25.739 1.00 138.84 ? 415 UNL A C29 1 +HETATM 50180 C C30 . UNL BB 30 . ? 52.989 -30.522 -26.227 1.00 132.90 ? 415 UNL A C30 1 +HETATM 50181 C C31 . UNL BB 30 . ? 53.404 -29.153 -26.765 1.00 129.28 ? 415 UNL A C31 1 +HETATM 50182 C C32 . UNL BB 30 . ? 52.217 -28.380 -27.333 1.00 118.91 ? 415 UNL A C32 1 +HETATM 50183 C C33 . UNL BB 30 . ? 51.806 -28.947 -28.682 1.00 105.44 ? 415 UNL A C33 1 +HETATM 50184 C C34 . UNL BB 30 . ? 50.989 -27.936 -29.481 1.00 117.25 ? 415 UNL A C34 1 +HETATM 50185 C C35 . UNL BB 30 . ? 51.242 -28.112 -30.978 1.00 118.08 ? 415 UNL A C35 1 +HETATM 50186 C C36 . UNL BB 30 . ? 50.779 -26.896 -31.782 1.00 107.02 ? 415 UNL A C36 1 +HETATM 50187 C C37 . UNL BB 30 . ? 51.240 -26.987 -33.238 1.00 100.56 ? 415 UNL A C37 1 +HETATM 50188 C C38 . UNL BB 30 . ? 51.324 -25.599 -33.841 1.00 111.80 ? 415 UNL A C38 1 +HETATM 50189 C C4 . UNL BB 30 . ? 58.621 -38.662 -18.305 1.00 130.72 ? 415 UNL A C4 1 +HETATM 50190 C C5 . UNL BB 30 . ? 58.191 -38.403 -19.752 1.00 116.23 ? 415 UNL A C5 1 +HETATM 50191 C C6 . UNL BB 30 . ? 56.708 -38.014 -19.797 1.00 128.80 ? 415 UNL A C6 1 +HETATM 50192 C C7 . UNL BB 30 . ? 59.926 -37.734 -21.326 1.00 122.39 ? 415 UNL A C7 1 +HETATM 50193 C C8 . UNL BB 30 . ? 60.008 -37.019 -22.662 1.00 121.59 ? 415 UNL A C8 1 +HETATM 50194 C C9 . UNL BB 30 . ? 60.201 -35.514 -22.523 1.00 121.61 ? 415 UNL A C9 1 +HETATM 50195 O O10 . UNL BB 30 . ? 54.694 -35.589 -21.125 1.00 126.64 ? 415 UNL A O10 1 +HETATM 50196 O O6 . UNL BB 30 . ? 58.172 -39.936 -17.828 1.00 110.53 ? 415 UNL A O6 1 +HETATM 50197 O O7 . UNL BB 30 . ? 58.954 -37.327 -20.319 1.00 155.46 ? 415 UNL A O7 1 +HETATM 50198 O O8 . UNL BB 30 . ? 56.526 -36.633 -20.161 1.00 135.93 ? 415 UNL A O8 1 +HETATM 50199 O O9 . UNL BB 30 . ? 60.674 -38.665 -21.082 1.00 132.14 ? 415 UNL A O9 1 +HETATM 50200 C CHA A PHO CB 24 . ? 10.396 -58.977 -32.006 0.40 54.65 ? 416 PHO A CHA 1 +HETATM 50201 C CHA B PHO CB 24 . ? 10.377 -59.002 -32.001 0.60 54.73 ? 416 PHO A CHA 1 +HETATM 50202 C CHB A PHO CB 24 . ? 10.607 -58.427 -36.820 0.40 55.33 ? 416 PHO A CHB 1 +HETATM 50203 C CHB B PHO CB 24 . ? 10.603 -58.461 -36.840 0.60 55.39 ? 416 PHO A CHB 1 +HETATM 50204 C CHC A PHO CB 24 . ? 12.487 -53.883 -36.220 0.40 46.95 ? 416 PHO A CHC 1 +HETATM 50205 C CHC B PHO CB 24 . ? 12.470 -53.895 -36.235 0.60 46.93 ? 416 PHO A CHC 1 +HETATM 50206 C CHD A PHO CB 24 . ? 12.509 -54.460 -31.293 0.40 46.28 ? 416 PHO A CHD 1 +HETATM 50207 C CHD B PHO CB 24 . ? 12.489 -54.469 -31.300 0.60 46.29 ? 416 PHO A CHD 1 +HETATM 50208 N NA A PHO CB 24 . ? 10.504 -58.415 -34.395 0.40 53.93 ? 416 PHO A NA 1 +HETATM 50209 N NA B PHO CB 24 . ? 10.470 -58.436 -34.411 0.60 54.08 ? 416 PHO A NA 1 +HETATM 50210 C C1A A PHO CB 24 . ? 10.172 -59.265 -33.436 0.40 53.10 ? 416 PHO A C1A 1 +HETATM 50211 C C1A B PHO CB 24 . ? 10.147 -59.285 -33.442 0.60 53.11 ? 416 PHO A C1A 1 +HETATM 50212 C C2A A PHO CB 24 . ? 9.568 -60.553 -33.902 0.40 54.01 ? 416 PHO A C2A 1 +HETATM 50213 C C2A B PHO CB 24 . ? 9.546 -60.571 -33.909 0.60 54.00 ? 416 PHO A C2A 1 +HETATM 50214 C C3A A PHO CB 24 . ? 9.922 -60.468 -35.379 0.40 54.18 ? 416 PHO A C3A 1 +HETATM 50215 C C3A B PHO CB 24 . ? 9.889 -60.485 -35.394 0.60 54.18 ? 416 PHO A C3A 1 +HETATM 50216 C C4A A PHO CB 24 . ? 10.360 -59.024 -35.492 0.40 53.55 ? 416 PHO A C4A 1 +HETATM 50217 C C4A B PHO CB 24 . ? 10.340 -59.048 -35.509 0.60 53.61 ? 416 PHO A C4A 1 +HETATM 50218 C CMA A PHO CB 24 . ? 11.115 -61.377 -35.650 0.40 50.03 ? 416 PHO A CMA 1 +HETATM 50219 C CMA B PHO CB 24 . ? 11.047 -61.421 -35.715 0.60 49.96 ? 416 PHO A CMA 1 +HETATM 50220 C CAA A PHO CB 24 . ? 8.066 -60.554 -33.693 0.40 50.69 ? 416 PHO A CAA 1 +HETATM 50221 C CAA B PHO CB 24 . ? 8.046 -60.577 -33.674 0.60 50.66 ? 416 PHO A CAA 1 +HETATM 50222 C CBA A PHO CB 24 . ? 7.490 -61.804 -34.349 0.40 54.66 ? 416 PHO A CBA 1 +HETATM 50223 C CBA B PHO CB 24 . ? 7.467 -61.831 -34.314 0.60 54.64 ? 416 PHO A CBA 1 +HETATM 50224 C CGA A PHO CB 24 . ? 5.988 -61.732 -34.354 0.40 54.26 ? 416 PHO A CGA 1 +HETATM 50225 C CGA B PHO CB 24 . ? 5.962 -61.759 -34.334 0.60 54.26 ? 416 PHO A CGA 1 +HETATM 50226 O O1A A PHO CB 24 . ? 5.381 -60.725 -34.015 0.40 54.15 ? 416 PHO A O1A 1 +HETATM 50227 O O1A B PHO CB 24 . ? 5.360 -60.747 -34.002 0.60 54.24 ? 416 PHO A O1A 1 +HETATM 50228 O O2A A PHO CB 24 . ? 5.239 -62.884 -34.790 0.40 58.99 ? 416 PHO A O2A 1 +HETATM 50229 O O2A B PHO CB 24 . ? 5.200 -62.911 -34.767 0.60 59.03 ? 416 PHO A O2A 1 +HETATM 50230 N NB A PHO CB 24 . ? 11.522 -56.188 -36.229 0.40 46.98 ? 416 PHO A NB 1 +HETATM 50231 N NB B PHO CB 24 . ? 11.514 -56.209 -36.254 0.60 47.01 ? 416 PHO A NB 1 +HETATM 50232 C C1B A PHO CB 24 . ? 11.155 -57.092 -37.157 0.40 50.11 ? 416 PHO A C1B 1 +HETATM 50233 C C1B B PHO CB 24 . ? 11.154 -57.126 -37.183 0.60 50.01 ? 416 PHO A C1B 1 +HETATM 50234 C C2B A PHO CB 24 . ? 11.355 -56.649 -38.558 0.40 50.79 ? 416 PHO A C2B 1 +HETATM 50235 C C2B B PHO CB 24 . ? 11.364 -56.690 -38.586 0.60 50.91 ? 416 PHO A C2B 1 +HETATM 50236 C C3B A PHO CB 24 . ? 11.916 -55.290 -38.356 0.40 49.54 ? 416 PHO A C3B 1 +HETATM 50237 C C3B B PHO CB 24 . ? 11.925 -55.326 -38.384 0.60 49.62 ? 416 PHO A C3B 1 +HETATM 50238 C C4B A PHO CB 24 . ? 11.982 -55.113 -36.882 0.40 52.34 ? 416 PHO A C4B 1 +HETATM 50239 C C4B B PHO CB 24 . ? 11.977 -55.134 -36.905 0.60 52.47 ? 416 PHO A C4B 1 +HETATM 50240 C CMB A PHO CB 24 . ? 11.074 -57.375 -39.850 0.40 41.49 ? 416 PHO A CMB 1 +HETATM 50241 C CMB B PHO CB 24 . ? 11.091 -57.434 -39.876 0.60 41.24 ? 416 PHO A CMB 1 +HETATM 50242 C CAB A PHO CB 24 . ? 12.350 -54.307 -39.376 0.40 46.25 ? 416 PHO A CAB 1 +HETATM 50243 C CAB B PHO CB 24 . ? 12.363 -54.346 -39.405 0.60 46.13 ? 416 PHO A CAB 1 +HETATM 50244 C CBB A PHO CB 24 . ? 11.741 -54.206 -40.540 0.40 42.54 ? 416 PHO A CBB 1 +HETATM 50245 C CBB B PHO CB 24 . ? 11.693 -54.197 -40.527 0.60 42.47 ? 416 PHO A CBB 1 +HETATM 50246 N NC A PHO CB 24 . ? 12.325 -54.472 -33.762 0.40 50.05 ? 416 PHO A NC 1 +HETATM 50247 N NC B PHO CB 24 . ? 12.382 -54.504 -33.773 0.60 50.29 ? 416 PHO A NC 1 +HETATM 50248 C C1C A PHO CB 24 . ? 12.715 -53.678 -34.775 0.40 45.83 ? 416 PHO A C1C 1 +HETATM 50249 C C1C B PHO CB 24 . ? 12.767 -53.712 -34.791 0.60 45.81 ? 416 PHO A C1C 1 +HETATM 50250 C C2C A PHO CB 24 . ? 13.457 -52.474 -34.336 0.40 45.16 ? 416 PHO A C2C 1 +HETATM 50251 C C2C B PHO CB 24 . ? 13.453 -52.477 -34.336 0.60 45.15 ? 416 PHO A C2C 1 +HETATM 50252 C C3C A PHO CB 24 . ? 13.496 -52.622 -32.852 0.40 45.01 ? 416 PHO A C3C 1 +HETATM 50253 C C3C B PHO CB 24 . ? 13.446 -52.594 -32.851 0.60 45.01 ? 416 PHO A C3C 1 +HETATM 50254 C C4C A PHO CB 24 . ? 12.763 -53.893 -32.632 0.40 46.45 ? 416 PHO A C4C 1 +HETATM 50255 C C4C B PHO CB 24 . ? 12.761 -53.899 -32.635 0.60 46.45 ? 416 PHO A C4C 1 +HETATM 50256 C CMC A PHO CB 24 . ? 14.027 -51.416 -35.244 0.40 42.84 ? 416 PHO A CMC 1 +HETATM 50257 C CMC B PHO CB 24 . ? 14.016 -51.381 -35.196 0.60 42.95 ? 416 PHO A CMC 1 +HETATM 50258 C CAC A PHO CB 24 . ? 14.118 -51.736 -31.789 0.40 42.99 ? 416 PHO A CAC 1 +HETATM 50259 C CAC B PHO CB 24 . ? 14.018 -51.654 -31.811 0.60 43.22 ? 416 PHO A CAC 1 +HETATM 50260 C CBC A PHO CB 24 . ? 13.076 -51.143 -30.856 0.40 39.07 ? 416 PHO A CBC 1 +HETATM 50261 C CBC B PHO CB 24 . ? 12.976 -51.156 -30.822 0.60 38.95 ? 416 PHO A CBC 1 +HETATM 50262 N ND A PHO CB 24 . ? 11.488 -56.522 -32.211 0.40 50.11 ? 416 PHO A ND 1 +HETATM 50263 N ND B PHO CB 24 . ? 11.463 -56.547 -32.224 0.60 50.15 ? 416 PHO A ND 1 +HETATM 50264 C C1D A PHO CB 24 . ? 11.844 -55.770 -31.160 0.40 48.21 ? 416 PHO A C1D 1 +HETATM 50265 C C1D B PHO CB 24 . ? 11.846 -55.796 -31.172 0.60 48.23 ? 416 PHO A C1D 1 +HETATM 50266 C C2D A PHO CB 24 . ? 11.708 -56.387 -29.813 0.40 49.83 ? 416 PHO A C2D 1 +HETATM 50267 C C2D B PHO CB 24 . ? 11.705 -56.397 -29.825 0.60 49.82 ? 416 PHO A C2D 1 +HETATM 50268 C C3D A PHO CB 24 . ? 11.104 -57.677 -30.229 0.40 54.96 ? 416 PHO A C3D 1 +HETATM 50269 C C3D B PHO CB 24 . ? 11.098 -57.693 -30.227 0.60 55.05 ? 416 PHO A C3D 1 +HETATM 50270 C C4D A PHO CB 24 . ? 11.007 -57.677 -31.600 0.40 51.19 ? 416 PHO A C4D 1 +HETATM 50271 C C4D B PHO CB 24 . ? 10.989 -57.702 -31.604 0.60 51.17 ? 416 PHO A C4D 1 +HETATM 50272 C CMD A PHO CB 24 . ? 12.000 -55.968 -28.402 0.40 44.95 ? 416 PHO A CMD 1 +HETATM 50273 C CMD B PHO CB 24 . ? 12.003 -55.968 -28.414 0.60 44.86 ? 416 PHO A CMD 1 +HETATM 50274 C CAD A PHO CB 24 . ? 10.563 -58.956 -29.689 0.40 54.57 ? 416 PHO A CAD 1 +HETATM 50275 C CAD B PHO CB 24 . ? 10.566 -58.964 -29.668 0.60 54.63 ? 416 PHO A CAD 1 +HETATM 50276 O OBD A PHO CB 24 . ? 10.510 -59.276 -28.452 0.40 55.33 ? 416 PHO A OBD 1 +HETATM 50277 O OBD B PHO CB 24 . ? 10.527 -59.250 -28.412 0.60 55.40 ? 416 PHO A OBD 1 +HETATM 50278 C CBD A PHO CB 24 . ? 10.111 -59.798 -30.815 0.40 50.84 ? 416 PHO A CBD 1 +HETATM 50279 C CBD B PHO CB 24 . ? 10.106 -59.817 -30.793 0.60 50.73 ? 416 PHO A CBD 1 +HETATM 50280 C CGD A PHO CB 24 . ? 10.956 -61.036 -30.888 0.40 55.92 ? 416 PHO A CGD 1 +HETATM 50281 C CGD B PHO CB 24 . ? 10.954 -61.061 -30.914 0.60 55.93 ? 416 PHO A CGD 1 +HETATM 50282 O O1D A PHO CB 24 . ? 10.588 -62.075 -30.377 0.40 63.54 ? 416 PHO A O1D 1 +HETATM 50283 O O1D B PHO CB 24 . ? 10.548 -62.154 -30.561 0.60 64.25 ? 416 PHO A O1D 1 +HETATM 50284 O O2D A PHO CB 24 . ? 12.239 -61.007 -31.557 0.40 53.11 ? 416 PHO A O2D 1 +HETATM 50285 O O2D B PHO CB 24 . ? 12.290 -60.976 -31.474 0.60 53.15 ? 416 PHO A O2D 1 +HETATM 50286 C CED A PHO CB 24 . ? 13.145 -62.097 -31.429 0.40 56.25 ? 416 PHO A CED 1 +HETATM 50287 C CED B PHO CB 24 . ? 13.124 -62.127 -31.528 0.60 56.17 ? 416 PHO A CED 1 +HETATM 50288 C C1 A PHO CB 24 . ? 3.839 -62.744 -34.939 0.40 56.45 ? 416 PHO A C1 1 +HETATM 50289 C C1 B PHO CB 24 . ? 3.807 -62.726 -34.951 0.60 56.41 ? 416 PHO A C1 1 +HETATM 50290 C C2 A PHO CB 24 . ? 3.614 -62.397 -36.384 0.40 56.51 ? 416 PHO A C2 1 +HETATM 50291 C C2 B PHO CB 24 . ? 3.600 -62.362 -36.398 0.60 56.41 ? 416 PHO A C2 1 +HETATM 50292 C C3 A PHO CB 24 . ? 2.650 -61.526 -36.680 0.40 59.04 ? 416 PHO A C3 1 +HETATM 50293 C C3 B PHO CB 24 . ? 2.657 -61.461 -36.685 0.60 59.13 ? 416 PHO A C3 1 +HETATM 50294 C C4 A PHO CB 24 . ? 1.826 -60.916 -35.580 0.40 55.00 ? 416 PHO A C4 1 +HETATM 50295 C C4 B PHO CB 24 . ? 1.861 -60.842 -35.571 0.60 54.95 ? 416 PHO A C4 1 +HETATM 50296 C C5 A PHO CB 24 . ? 2.405 -61.154 -38.114 0.40 55.56 ? 416 PHO A C5 1 +HETATM 50297 C C5 B PHO CB 24 . ? 2.403 -61.054 -38.110 0.60 55.64 ? 416 PHO A C5 1 +HETATM 50298 C C6 A PHO CB 24 . ? 2.751 -59.679 -38.282 0.40 54.27 ? 416 PHO A C6 1 +HETATM 50299 C C6 B PHO CB 24 . ? 2.682 -59.561 -38.240 0.60 54.00 ? 416 PHO A C6 1 +HETATM 50300 C C7 A PHO CB 24 . ? 2.233 -59.171 -39.623 0.40 54.58 ? 416 PHO A C7 1 +HETATM 50301 C C7 B PHO CB 24 . ? 2.236 -59.073 -39.614 0.60 54.49 ? 416 PHO A C7 1 +HETATM 50302 C C8 A PHO CB 24 . ? 2.869 -57.846 -39.991 0.40 54.26 ? 416 PHO A C8 1 +HETATM 50303 C C8 B PHO CB 24 . ? 2.853 -57.735 -39.972 0.60 54.47 ? 416 PHO A C8 1 +HETATM 50304 C C9 A PHO CB 24 . ? 2.712 -56.870 -38.822 0.40 47.83 ? 416 PHO A C9 1 +HETATM 50305 C C9 B PHO CB 24 . ? 2.670 -56.723 -38.840 0.60 47.45 ? 416 PHO A C9 1 +HETATM 50306 C C10 A PHO CB 24 . ? 2.236 -57.308 -41.285 0.40 54.69 ? 416 PHO A C10 1 +HETATM 50307 C C10 B PHO CB 24 . ? 2.231 -57.230 -41.278 0.60 54.73 ? 416 PHO A C10 1 +HETATM 50308 C C11 A PHO CB 24 . ? 2.420 -58.218 -42.501 0.40 49.40 ? 416 PHO A C11 1 +HETATM 50309 C C11 B PHO CB 24 . ? 2.415 -58.182 -42.461 0.60 49.35 ? 416 PHO A C11 1 +HETATM 50310 C C12 A PHO CB 24 . ? 3.874 -58.500 -42.886 0.40 53.06 ? 416 PHO A C12 1 +HETATM 50311 C C12 B PHO CB 24 . ? 3.869 -58.384 -42.889 0.60 53.14 ? 416 PHO A C12 1 +HETATM 50312 C C13 A PHO CB 24 . ? 3.933 -59.430 -44.104 0.40 53.62 ? 416 PHO A C13 1 +HETATM 50313 C C13 B PHO CB 24 . ? 3.965 -59.350 -44.079 0.60 53.55 ? 416 PHO A C13 1 +HETATM 50314 C C14 A PHO CB 24 . ? 3.597 -60.871 -43.697 0.40 51.72 ? 416 PHO A C14 1 +HETATM 50315 C C14 B PHO CB 24 . ? 3.603 -60.772 -43.633 0.60 51.81 ? 416 PHO A C14 1 +HETATM 50316 C C15 A PHO CB 24 . ? 5.297 -59.360 -44.809 0.40 49.30 ? 416 PHO A C15 1 +HETATM 50317 C C15 B PHO CB 24 . ? 5.354 -59.325 -44.732 0.60 49.23 ? 416 PHO A C15 1 +HETATM 50318 C C16 A PHO CB 24 . ? 5.543 -58.000 -45.485 0.40 52.51 ? 416 PHO A C16 1 +HETATM 50319 C C16 B PHO CB 24 . ? 5.658 -58.002 -45.445 0.60 52.61 ? 416 PHO A C16 1 +HETATM 50320 C C17 A PHO CB 24 . ? 6.958 -57.930 -46.064 0.40 49.70 ? 416 PHO A C17 1 +HETATM 50321 C C17 B PHO CB 24 . ? 7.064 -57.963 -46.054 0.60 49.65 ? 416 PHO A C17 1 +HETATM 50322 C C18 A PHO CB 24 . ? 7.198 -56.728 -46.980 0.40 50.60 ? 416 PHO A C18 1 +HETATM 50323 C C18 B PHO CB 24 . ? 7.222 -56.846 -47.088 0.60 51.21 ? 416 PHO A C18 1 +HETATM 50324 C C19 A PHO CB 24 . ? 8.565 -56.841 -47.640 0.40 50.33 ? 416 PHO A C19 1 +HETATM 50325 C C19 B PHO CB 24 . ? 8.576 -56.908 -47.786 0.60 50.29 ? 416 PHO A C19 1 +HETATM 50326 C C20 A PHO CB 24 . ? 7.066 -55.408 -46.231 0.40 45.60 ? 416 PHO A C20 1 +HETATM 50327 C C20 B PHO CB 24 . ? 7.000 -55.476 -46.470 0.60 44.11 ? 416 PHO A C20 1 +HETATM 50328 C C1B . LMT DB 31 . ? 27.319 -11.245 -44.540 1.00 144.51 ? 417 LMT A C1B 1 +HETATM 50329 C C2B . LMT DB 31 . ? 25.934 -11.475 -43.878 1.00 147.05 ? 417 LMT A C2B 1 +HETATM 50330 C C3B . LMT DB 31 . ? 25.515 -12.942 -44.085 1.00 125.63 ? 417 LMT A C3B 1 +HETATM 50331 C C4B . LMT DB 31 . ? 25.408 -13.187 -45.606 1.00 114.77 ? 417 LMT A C4B 1 +HETATM 50332 C C5B . LMT DB 31 . ? 26.766 -12.820 -46.256 1.00 119.12 ? 417 LMT A C5B 1 +HETATM 50333 C C6B . LMT DB 31 . ? 26.644 -12.937 -47.771 1.00 115.32 ? 417 LMT A C6B 1 +HETATM 50334 O O1B . LMT DB 31 . ? 28.305 -12.023 -43.910 1.00 123.67 ? 417 LMT A O1B 1 +HETATM 50335 O O2B . LMT DB 31 . ? 26.021 -11.149 -42.543 1.00 148.12 ? 417 LMT A O2B 1 +HETATM 50336 O O3B . LMT DB 31 . ? 24.366 -13.298 -43.384 1.00 111.19 ? 417 LMT A O3B 1 +HETATM 50337 O "O4'" . LMT DB 31 . ? 25.108 -14.513 -45.865 1.00 103.21 ? 417 LMT A "O4'" 1 +HETATM 50338 O O5B . LMT DB 31 . ? 27.272 -11.536 -45.913 1.00 134.40 ? 417 LMT A O5B 1 +HETATM 50339 O O6B . LMT DB 31 . ? 27.621 -12.180 -48.378 1.00 123.79 ? 417 LMT A O6B 1 +HETATM 50340 C "C1'" . LMT DB 31 . ? 31.550 -11.956 -41.335 1.00 121.09 ? 417 LMT A "C1'" 1 +HETATM 50341 C "C2'" . LMT DB 31 . ? 30.213 -11.488 -40.717 1.00 126.70 ? 417 LMT A "C2'" 1 +HETATM 50342 C "C3'" . LMT DB 31 . ? 29.026 -11.868 -41.641 1.00 136.58 ? 417 LMT A "C3'" 1 +HETATM 50343 C "C4'" . LMT DB 31 . ? 29.246 -11.361 -43.081 1.00 137.89 ? 417 LMT A "C4'" 1 +HETATM 50344 C "C5'" . LMT DB 31 . ? 30.683 -11.785 -43.507 1.00 116.62 ? 417 LMT A "C5'" 1 +HETATM 50345 C "C6'" . LMT DB 31 . ? 31.050 -11.360 -44.913 1.00 129.98 ? 417 LMT A "C6'" 1 +HETATM 50346 O "O1'" . LMT DB 31 . ? 32.624 -11.582 -40.539 1.00 124.63 ? 417 LMT A "O1'" 1 +HETATM 50347 O "O2'" . LMT DB 31 . ? 30.028 -12.117 -39.514 1.00 115.45 ? 417 LMT A "O2'" 1 +HETATM 50348 O "O3'" . LMT DB 31 . ? 27.857 -11.363 -41.129 1.00 122.70 ? 417 LMT A "O3'" 1 +HETATM 50349 O "O5'" . LMT DB 31 . ? 31.679 -11.324 -42.607 1.00 135.18 ? 417 LMT A "O5'" 1 +HETATM 50350 O "O6'" . LMT DB 31 . ? 31.054 -9.970 -44.933 1.00 129.26 ? 417 LMT A "O6'" 1 +HETATM 50351 C C1 . LMT DB 31 . ? 33.181 -12.633 -39.726 1.00 118.75 ? 417 LMT A C1 1 +HETATM 50352 C C2 . LMT DB 31 . ? 34.081 -11.994 -38.687 1.00 84.32 ? 417 LMT A C2 1 +HETATM 50353 C C3 . LMT DB 31 . ? 33.965 -12.506 -37.272 1.00 65.87 ? 417 LMT A C3 1 +HETATM 50354 C C4 . LMT DB 31 . ? 34.396 -13.960 -37.227 1.00 88.42 ? 417 LMT A C4 1 +HETATM 50355 C C5 . LMT DB 31 . ? 33.873 -14.666 -36.006 1.00 77.22 ? 417 LMT A C5 1 +HETATM 50356 C C6 . LMT DB 31 . ? 34.410 -16.078 -35.846 1.00 72.30 ? 417 LMT A C6 1 +HETATM 50357 C C7 . LMT DB 31 . ? 34.094 -16.580 -34.455 1.00 86.84 ? 417 LMT A C7 1 +HETATM 50358 C C8 . LMT DB 31 . ? 34.765 -17.907 -34.156 1.00 90.58 ? 417 LMT A C8 1 +HETATM 50359 C C9 . LMT DB 31 . ? 34.266 -18.508 -32.859 1.00 113.72 ? 417 LMT A C9 1 +HETATM 50360 C C10 . LMT DB 31 . ? 35.305 -19.400 -32.211 1.00 103.97 ? 417 LMT A C10 1 +HETATM 50361 C C11 . LMT DB 31 . ? 34.837 -19.840 -30.851 1.00 114.80 ? 417 LMT A C11 1 +HETATM 50362 C C12 . LMT DB 31 . ? 35.373 -21.181 -30.451 1.00 103.24 ? 417 LMT A C12 1 +HETATM 50363 C C1 . GOL EB 27 . ? 20.539 -17.496 -39.846 1.00 88.98 ? 418 GOL A C1 1 +HETATM 50364 O O1 . GOL EB 27 . ? 21.899 -17.353 -39.442 1.00 82.61 ? 418 GOL A O1 1 +HETATM 50365 C C2 . GOL EB 27 . ? 20.180 -18.979 -40.069 1.00 61.06 ? 418 GOL A C2 1 +HETATM 50366 O O2 . GOL EB 27 . ? 20.007 -19.545 -38.862 1.00 84.45 ? 418 GOL A O2 1 +HETATM 50367 C C3 . GOL EB 27 . ? 18.799 -18.916 -40.873 1.00 93.54 ? 418 GOL A C3 1 +HETATM 50368 O O3 . GOL EB 27 . ? 18.559 -20.101 -41.605 1.00 51.41 ? 418 GOL A O3 1 +HETATM 50369 O O1 A LHG FB 32 . ? 18.014 -48.265 -15.208 0.40 68.95 ? 419 LHG A O1 1 +HETATM 50370 O O1 B LHG FB 32 . ? 18.077 -48.227 -15.258 0.60 69.31 ? 419 LHG A O1 1 +HETATM 50371 C C1 A LHG FB 32 . ? 17.189 -47.108 -15.032 0.40 57.95 ? 419 LHG A C1 1 +HETATM 50372 C C1 B LHG FB 32 . ? 17.221 -47.108 -14.999 0.60 57.86 ? 419 LHG A C1 1 +HETATM 50373 C C2 A LHG FB 32 . ? 16.069 -47.524 -14.102 0.40 62.92 ? 419 LHG A C2 1 +HETATM 50374 C C2 B LHG FB 32 . ? 16.165 -47.564 -14.013 0.60 63.23 ? 419 LHG A C2 1 +HETATM 50375 O O2 A LHG FB 32 . ? 16.626 -48.317 -13.047 0.40 78.23 ? 419 LHG A O2 1 +HETATM 50376 O O2 B LHG FB 32 . ? 16.781 -48.484 -13.110 0.60 79.77 ? 419 LHG A O2 1 +HETATM 50377 C C3 A LHG FB 32 . ? 15.010 -48.397 -14.762 0.40 57.05 ? 419 LHG A C3 1 +HETATM 50378 C C3 B LHG FB 32 . ? 15.021 -48.313 -14.679 0.60 57.13 ? 419 LHG A C3 1 +HETATM 50379 O O3 A LHG FB 32 . ? 13.910 -48.249 -13.875 0.40 60.69 ? 419 LHG A O3 1 +HETATM 50380 O O3 B LHG FB 32 . ? 13.942 -48.237 -13.751 0.60 60.95 ? 419 LHG A O3 1 +HETATM 50381 P P A LHG FB 32 . ? 12.495 -48.983 -13.965 0.40 55.58 ? 419 LHG A P 1 +HETATM 50382 P P B LHG FB 32 . ? 12.535 -48.966 -13.997 0.60 55.43 ? 419 LHG A P 1 +HETATM 50383 O O4 A LHG FB 32 . ? 12.723 -50.444 -14.179 0.40 64.60 ? 419 LHG A O4 1 +HETATM 50384 O O4 B LHG FB 32 . ? 12.803 -50.441 -14.171 0.60 64.71 ? 419 LHG A O4 1 +HETATM 50385 O O5 A LHG FB 32 . ? 11.683 -48.435 -12.805 0.40 52.56 ? 419 LHG A O5 1 +HETATM 50386 O O5 B LHG FB 32 . ? 11.561 -48.465 -12.951 0.60 52.69 ? 419 LHG A O5 1 +HETATM 50387 O O6 A LHG FB 32 . ? 11.886 -48.356 -15.319 0.40 59.15 ? 419 LHG A O6 1 +HETATM 50388 O O6 B LHG FB 32 . ? 12.108 -48.356 -15.421 0.60 59.71 ? 419 LHG A O6 1 +HETATM 50389 C C4 A LHG FB 32 . ? 11.371 -47.028 -15.376 0.40 54.95 ? 419 LHG A C4 1 +HETATM 50390 C C4 B LHG FB 32 . ? 11.384 -47.137 -15.478 0.60 54.94 ? 419 LHG A C4 1 +HETATM 50391 C C5 A LHG FB 32 . ? 11.628 -46.561 -16.800 0.40 58.33 ? 419 LHG A C5 1 +HETATM 50392 C C5 B LHG FB 32 . ? 11.641 -46.536 -16.845 0.60 58.28 ? 419 LHG A C5 1 +HETATM 50393 C C6 A LHG FB 32 . ? 11.056 -47.526 -17.814 0.40 59.56 ? 419 LHG A C6 1 +HETATM 50394 C C6 B LHG FB 32 . ? 11.077 -47.449 -17.910 0.60 59.69 ? 419 LHG A C6 1 +HETATM 50395 O O7 A LHG FB 32 . ? 10.978 -45.325 -17.073 0.40 62.44 ? 419 LHG A O7 1 +HETATM 50396 O O7 B LHG FB 32 . ? 10.957 -45.300 -16.966 0.60 62.67 ? 419 LHG A O7 1 +HETATM 50397 C C7 A LHG FB 32 . ? 11.904 -44.237 -16.918 0.40 64.42 ? 419 LHG A C7 1 +HETATM 50398 C C7 B LHG FB 32 . ? 11.892 -44.201 -16.970 0.60 64.59 ? 419 LHG A C7 1 +HETATM 50399 O O9 A LHG FB 32 . ? 13.089 -44.514 -16.907 0.40 66.96 ? 419 LHG A O9 1 +HETATM 50400 O O9 B LHG FB 32 . ? 13.068 -44.450 -17.175 0.60 68.20 ? 419 LHG A O9 1 +HETATM 50401 C C8 A LHG FB 32 . ? 11.383 -42.827 -16.763 0.40 65.84 ? 419 LHG A C8 1 +HETATM 50402 C C8 B LHG FB 32 . ? 11.382 -42.797 -16.734 0.60 65.91 ? 419 LHG A C8 1 +HETATM 50403 C C9 A LHG FB 32 . ? 12.372 -41.824 -17.329 0.40 66.82 ? 419 LHG A C9 1 +HETATM 50404 C C9 B LHG FB 32 . ? 12.330 -41.775 -17.342 0.60 66.87 ? 419 LHG A C9 1 +HETATM 50405 C C10 A LHG FB 32 . ? 12.275 -41.755 -18.842 0.40 59.88 ? 419 LHG A C10 1 +HETATM 50406 C C10 B LHG FB 32 . ? 12.299 -41.805 -18.862 0.60 59.67 ? 419 LHG A C10 1 +HETATM 50407 O O8 A LHG FB 32 . ? 11.389 -46.928 -19.069 0.40 64.58 ? 419 LHG A O8 1 +HETATM 50408 O O8 B LHG FB 32 . ? 11.381 -46.830 -19.155 0.60 64.71 ? 419 LHG A O8 1 +HETATM 50409 C C23 A LHG FB 32 . ? 11.088 -47.616 -20.288 0.40 63.42 ? 419 LHG A C23 1 +HETATM 50410 C C23 B LHG FB 32 . ? 11.192 -47.591 -20.359 0.60 63.62 ? 419 LHG A C23 1 +HETATM 50411 O O10 A LHG FB 32 . ? 10.491 -48.662 -20.126 0.40 65.86 ? 419 LHG A O10 1 +HETATM 50412 O O10 B LHG FB 32 . ? 10.695 -48.691 -20.201 0.60 67.02 ? 419 LHG A O10 1 +HETATM 50413 C C24 A LHG FB 32 . ? 11.477 -47.046 -21.651 0.40 64.83 ? 419 LHG A C24 1 +HETATM 50414 C C24 B LHG FB 32 . ? 11.572 -47.014 -21.721 0.60 64.63 ? 419 LHG A C24 1 +HETATM 50415 C C11 A LHG FB 32 . ? 12.976 -40.469 -19.259 0.40 70.86 ? 419 LHG A C11 1 +HETATM 50416 C C11 B LHG FB 32 . ? 13.109 -40.613 -19.358 0.60 71.04 ? 419 LHG A C11 1 +HETATM 50417 C C12 A LHG FB 32 . ? 12.665 -40.091 -20.695 0.40 70.61 ? 419 LHG A C12 1 +HETATM 50418 C C12 B LHG FB 32 . ? 12.695 -40.148 -20.744 0.60 70.64 ? 419 LHG A C12 1 +HETATM 50419 C C13 A LHG FB 32 . ? 13.680 -39.052 -21.151 0.40 77.62 ? 419 LHG A C13 1 +HETATM 50420 C C13 B LHG FB 32 . ? 13.678 -39.088 -21.228 0.60 77.79 ? 419 LHG A C13 1 +HETATM 50421 C C14 A LHG FB 32 . ? 13.380 -37.690 -20.552 0.40 75.23 ? 419 LHG A C14 1 +HETATM 50422 C C14 B LHG FB 32 . ? 13.383 -37.723 -20.626 0.60 75.20 ? 419 LHG A C14 1 +HETATM 50423 C C15 A LHG FB 32 . ? 12.687 -36.844 -21.613 0.40 89.52 ? 419 LHG A C15 1 +HETATM 50424 C C15 B LHG FB 32 . ? 12.752 -36.835 -21.691 0.60 89.70 ? 419 LHG A C15 1 +HETATM 50425 C C16 A LHG FB 32 . ? 12.316 -35.448 -21.122 0.40 79.01 ? 419 LHG A C16 1 +HETATM 50426 C C16 B LHG FB 32 . ? 12.461 -35.419 -21.200 0.60 78.73 ? 419 LHG A C16 1 +HETATM 50427 C C17 A LHG FB 32 . ? 11.675 -34.684 -22.277 0.40 93.02 ? 419 LHG A C17 1 +HETATM 50428 C C17 B LHG FB 32 . ? 11.725 -34.660 -22.301 0.60 93.15 ? 419 LHG A C17 1 +HETATM 50429 C C18 A LHG FB 32 . ? 11.435 -33.221 -21.934 0.40 90.07 ? 419 LHG A C18 1 +HETATM 50430 C C18 B LHG FB 32 . ? 11.452 -33.211 -21.923 0.60 90.09 ? 419 LHG A C18 1 +HETATM 50431 C C19 A LHG FB 32 . ? 12.747 -32.514 -21.641 0.40 77.23 ? 419 LHG A C19 1 +HETATM 50432 C C19 B LHG FB 32 . ? 12.743 -32.510 -21.532 0.60 77.05 ? 419 LHG A C19 1 +HETATM 50433 C C20 A LHG FB 32 . ? 12.595 -31.025 -21.915 0.40 89.04 ? 419 LHG A C20 1 +HETATM 50434 C C20 B LHG FB 32 . ? 12.641 -31.022 -21.838 0.60 89.12 ? 419 LHG A C20 1 +HETATM 50435 C C21 A LHG FB 32 . ? 11.373 -30.440 -21.216 0.40 91.49 ? 419 LHG A C21 1 +HETATM 50436 C C21 B LHG FB 32 . ? 11.366 -30.416 -21.262 0.60 91.60 ? 419 LHG A C21 1 +HETATM 50437 C C22 A LHG FB 32 . ? 11.365 -28.924 -21.313 0.40 84.31 ? 419 LHG A C22 1 +HETATM 50438 C C22 B LHG FB 32 . ? 11.318 -28.927 -21.540 0.60 84.11 ? 419 LHG A C22 1 +HETATM 50439 C C25 A LHG FB 32 . ? 10.325 -46.182 -22.178 0.40 64.08 ? 419 LHG A C25 1 +HETATM 50440 C C25 B LHG FB 32 . ? 10.351 -46.279 -22.274 0.60 64.12 ? 419 LHG A C25 1 +HETATM 50441 C C26 A LHG FB 32 . ? 10.611 -45.264 -23.365 0.40 66.07 ? 419 LHG A C26 1 +HETATM 50442 C C26 B LHG FB 32 . ? 10.609 -45.219 -23.345 0.60 66.16 ? 419 LHG A C26 1 +HETATM 50443 C C27 A LHG FB 32 . ? 9.284 -44.939 -24.058 0.40 59.00 ? 419 LHG A C27 1 +HETATM 50444 C C27 B LHG FB 32 . ? 9.282 -44.891 -24.032 0.60 58.91 ? 419 LHG A C27 1 +HETATM 50445 C C28 A LHG FB 32 . ? 9.287 -43.670 -24.902 0.40 70.88 ? 419 LHG A C28 1 +HETATM 50446 C C28 B LHG FB 32 . ? 9.292 -43.572 -24.793 0.60 71.45 ? 419 LHG A C28 1 +HETATM 50447 C C29 A LHG FB 32 . ? 7.940 -42.959 -24.750 0.40 71.03 ? 419 LHG A C29 1 +HETATM 50448 C C29 B LHG FB 32 . ? 7.923 -42.895 -24.708 0.60 71.13 ? 419 LHG A C29 1 +HETATM 50449 C C30 A LHG FB 32 . ? 7.983 -41.484 -25.150 0.40 67.92 ? 419 LHG A C30 1 +HETATM 50450 C C30 B LHG FB 32 . ? 7.963 -41.433 -25.161 0.60 67.88 ? 419 LHG A C30 1 +HETATM 50451 C C31 A LHG FB 32 . ? 8.688 -40.582 -24.128 0.40 73.30 ? 419 LHG A C31 1 +HETATM 50452 C C31 B LHG FB 32 . ? 8.651 -40.511 -24.153 0.60 73.21 ? 419 LHG A C31 1 +HETATM 50453 C C32 A LHG FB 32 . ? 7.801 -40.171 -22.953 0.40 81.45 ? 419 LHG A C32 1 +HETATM 50454 C C32 B LHG FB 32 . ? 7.779 -40.260 -22.928 0.60 81.56 ? 419 LHG A C32 1 +HETATM 50455 C C33 A LHG FB 32 . ? 8.623 -39.773 -21.722 0.40 77.82 ? 419 LHG A C33 1 +HETATM 50456 C C33 B LHG FB 32 . ? 8.586 -39.747 -21.735 0.60 77.83 ? 419 LHG A C33 1 +HETATM 50457 C C34 A LHG FB 32 . ? 7.788 -39.743 -20.440 0.40 75.64 ? 419 LHG A C34 1 +HETATM 50458 C C34 B LHG FB 32 . ? 7.773 -39.838 -20.446 0.60 75.64 ? 419 LHG A C34 1 +HETATM 50459 C C35 A LHG FB 32 . ? 8.606 -40.135 -19.206 0.40 70.97 ? 419 LHG A C35 1 +HETATM 50460 C C35 B LHG FB 32 . ? 8.659 -40.033 -19.219 0.60 71.00 ? 419 LHG A C35 1 +HETATM 50461 C C36 A LHG FB 32 . ? 7.999 -39.617 -17.899 0.40 66.06 ? 419 LHG A C36 1 +HETATM 50462 C C36 B LHG FB 32 . ? 7.958 -39.578 -17.943 0.60 66.09 ? 419 LHG A C36 1 +HETATM 50463 C C37 A LHG FB 32 . ? 7.730 -40.750 -16.917 0.40 64.53 ? 419 LHG A C37 1 +HETATM 50464 C C37 B LHG FB 32 . ? 7.856 -40.701 -16.917 0.60 64.68 ? 419 LHG A C37 1 +HETATM 50465 C C38 A LHG FB 32 . ? 7.858 -40.346 -15.448 0.40 50.76 ? 419 LHG A C38 1 +HETATM 50466 C C38 B LHG FB 32 . ? 7.868 -40.170 -15.491 0.60 50.67 ? 419 LHG A C38 1 +HETATM 50467 C C1B . LMT GB 31 . ? 64.862 -49.958 -27.675 1.00 146.30 ? 420 LMT A C1B 1 +HETATM 50468 C C2B . LMT GB 31 . ? 64.495 -49.005 -26.518 1.00 141.87 ? 420 LMT A C2B 1 +HETATM 50469 C C3B . LMT GB 31 . ? 63.935 -49.783 -25.305 1.00 145.77 ? 420 LMT A C3B 1 +HETATM 50470 C C4B . LMT GB 31 . ? 63.525 -51.246 -25.651 1.00 135.49 ? 420 LMT A C4B 1 +HETATM 50471 C C5B . LMT GB 31 . ? 64.674 -51.952 -26.413 1.00 147.60 ? 420 LMT A C5B 1 +HETATM 50472 C C6B . LMT GB 31 . ? 64.089 -53.054 -27.299 1.00 120.94 ? 420 LMT A C6B 1 +HETATM 50473 O O1B . LMT GB 31 . ? 65.605 -49.263 -28.650 1.00 146.53 ? 420 LMT A O1B 1 +HETATM 50474 O O2B . LMT GB 31 . ? 65.638 -48.324 -26.155 1.00 132.27 ? 420 LMT A O2B 1 +HETATM 50475 O O3B . LMT GB 31 . ? 62.919 -49.077 -24.685 1.00 134.55 ? 420 LMT A O3B 1 +HETATM 50476 O "O4'" . LMT GB 31 . ? 63.240 -51.959 -24.493 1.00 123.65 ? 420 LMT A "O4'" 1 +HETATM 50477 O O5B . LMT GB 31 . ? 65.510 -51.087 -27.175 1.00 156.34 ? 420 LMT A O5B 1 +HETATM 50478 O O6B . LMT GB 31 . ? 64.277 -54.288 -26.726 1.00 136.73 ? 420 LMT A O6B 1 +HETATM 50479 C "C1'" . LMT GB 31 . ? 67.018 -50.023 -32.388 1.00 154.61 ? 420 LMT A "C1'" 1 +HETATM 50480 C "C2'" . LMT GB 31 . ? 67.064 -51.256 -31.463 1.00 144.22 ? 420 LMT A "C2'" 1 +HETATM 50481 C "C3'" . LMT GB 31 . ? 66.093 -51.007 -30.291 1.00 151.66 ? 420 LMT A "C3'" 1 +HETATM 50482 C "C4'" . LMT GB 31 . ? 66.650 -49.898 -29.366 1.00 159.96 ? 420 LMT A "C4'" 1 +HETATM 50483 C "C5'" . LMT GB 31 . ? 67.264 -48.793 -30.286 1.00 150.88 ? 420 LMT A "C5'" 1 +HETATM 50484 C "C6'" . LMT GB 31 . ? 68.769 -48.608 -30.196 1.00 151.32 ? 420 LMT A "C6'" 1 +HETATM 50485 O "O1'" . LMT GB 31 . ? 68.172 -49.885 -33.124 1.00 170.47 ? 420 LMT A "O1'" 1 +HETATM 50486 O "O2'" . LMT GB 31 . ? 66.648 -52.369 -32.143 1.00 129.50 ? 420 LMT A "O2'" 1 +HETATM 50487 O "O3'" . LMT GB 31 . ? 65.897 -52.178 -29.616 1.00 139.06 ? 420 LMT A "O3'" 1 +HETATM 50488 O "O5'" . LMT GB 31 . ? 66.787 -48.811 -31.637 1.00 155.26 ? 420 LMT A "O5'" 1 +HETATM 50489 O "O6'" . LMT GB 31 . ? 68.968 -47.617 -29.271 1.00 150.57 ? 420 LMT A "O6'" 1 +HETATM 50490 C C1 . LMT GB 31 . ? 68.228 -50.659 -34.314 1.00 138.64 ? 420 LMT A C1 1 +HETATM 50491 C C2 . LMT GB 31 . ? 68.004 -49.692 -35.445 1.00 124.82 ? 420 LMT A C2 1 +HETATM 50492 C C3 . LMT GB 31 . ? 66.917 -50.036 -36.414 1.00 111.03 ? 420 LMT A C3 1 +HETATM 50493 C C4 . LMT GB 31 . ? 67.541 -50.275 -37.763 1.00 100.36 ? 420 LMT A C4 1 +HETATM 50494 C C5 . LMT GB 31 . ? 66.474 -50.534 -38.775 1.00 113.51 ? 420 LMT A C5 1 +HETATM 50495 C C6 . LMT GB 31 . ? 66.378 -49.449 -39.796 1.00 113.13 ? 420 LMT A C6 1 +HETATM 50496 C C7 . LMT GB 31 . ? 64.936 -49.131 -40.079 1.00 122.34 ? 420 LMT A C7 1 +HETATM 50497 C C8 . LMT GB 31 . ? 64.802 -47.667 -40.365 1.00 135.33 ? 420 LMT A C8 1 +HETATM 50498 C C9 . LMT GB 31 . ? 63.391 -47.202 -40.552 1.00 127.80 ? 420 LMT A C9 1 +HETATM 50499 C C10 . LMT GB 31 . ? 63.423 -45.908 -41.318 1.00 115.58 ? 420 LMT A C10 1 +HETATM 50500 C C11 . LMT GB 31 . ? 62.039 -45.365 -41.501 1.00 118.09 ? 420 LMT A C11 1 +HETATM 50501 C C12 . LMT GB 31 . ? 62.026 -44.115 -42.319 1.00 120.97 ? 420 LMT A C12 1 +HETATM 50502 MG MG . CLA HB 23 . ? -32.447 -47.805 -31.283 1.00 72.32 ? 601 CLA B MG 1 +HETATM 50503 C CHA . CLA HB 23 . ? -35.782 -47.656 -32.248 1.00 64.33 ? 601 CLA B CHA 1 +HETATM 50504 C CHB . CLA HB 23 . ? -33.446 -47.161 -28.097 1.00 70.00 ? 601 CLA B CHB 1 +HETATM 50505 C CHC . CLA HB 23 . ? -29.320 -48.616 -30.319 1.00 57.62 ? 601 CLA B CHC 1 +HETATM 50506 C CHD . CLA HB 23 . ? -31.650 -48.928 -34.724 1.00 70.44 ? 601 CLA B CHD 1 +HETATM 50507 N NA . CLA HB 23 . ? -34.272 -47.516 -30.321 1.00 83.88 ? 601 CLA B NA 1 +HETATM 50508 C C1A . CLA HB 23 . ? -35.449 -47.355 -30.818 1.00 77.24 ? 601 CLA B C1A 1 +HETATM 50509 C C2A . CLA HB 23 . ? -36.535 -46.938 -29.862 1.00 84.83 ? 601 CLA B C2A 1 +HETATM 50510 C C3A . CLA HB 23 . ? -35.759 -46.754 -28.574 1.00 79.91 ? 601 CLA B C3A 1 +HETATM 50511 C C4A . CLA HB 23 . ? -34.399 -47.178 -29.032 1.00 76.42 ? 601 CLA B C4A 1 +HETATM 50512 C CMA . CLA HB 23 . ? -35.692 -45.264 -28.265 1.00 62.19 ? 601 CLA B CMA 1 +HETATM 50513 C CAA . CLA HB 23 . ? -37.521 -48.103 -29.648 1.00 94.86 ? 601 CLA B CAA 1 +HETATM 50514 C CBA . CLA HB 23 . ? -36.922 -49.317 -28.936 1.00 66.19 ? 601 CLA B CBA 1 +HETATM 50515 C CGA . CLA HB 23 . ? -37.434 -50.620 -29.515 1.00 126.80 ? 601 CLA B CGA 1 +HETATM 50516 O O1A . CLA HB 23 . ? -37.175 -51.673 -28.930 1.00 102.18 ? 601 CLA B O1A 1 +HETATM 50517 O O2A . CLA HB 23 . ? -38.248 -50.625 -30.749 1.00 156.11 ? 601 CLA B O2A 1 +HETATM 50518 N NB . CLA HB 23 . ? -31.531 -47.896 -29.458 1.00 66.06 ? 601 CLA B NB 1 +HETATM 50519 C C1B . CLA HB 23 . ? -32.033 -47.526 -28.275 1.00 62.63 ? 601 CLA B C1B 1 +HETATM 50520 C C2B . CLA HB 23 . ? -31.066 -47.526 -27.144 1.00 61.88 ? 601 CLA B C2B 1 +HETATM 50521 C C3B . CLA HB 23 . ? -29.827 -47.974 -27.818 1.00 57.30 ? 601 CLA B C3B 1 +HETATM 50522 C C4B . CLA HB 23 . ? -30.239 -48.174 -29.245 1.00 63.57 ? 601 CLA B C4B 1 +HETATM 50523 C CMB . CLA HB 23 . ? -31.279 -47.174 -25.697 1.00 62.41 ? 601 CLA B CMB 1 +HETATM 50524 C CAB . CLA HB 23 . ? -28.483 -48.161 -27.205 1.00 68.22 ? 601 CLA B CAB 1 +HETATM 50525 C CBB . CLA HB 23 . ? -27.357 -47.984 -27.874 1.00 63.57 ? 601 CLA B CBB 1 +HETATM 50526 N NC . CLA HB 23 . ? -30.852 -48.613 -32.316 1.00 62.50 ? 601 CLA B NC 1 +HETATM 50527 C C1C . CLA HB 23 . ? -29.651 -48.820 -31.749 1.00 60.82 ? 601 CLA B C1C 1 +HETATM 50528 C C2C . CLA HB 23 . ? -28.599 -49.300 -32.694 1.00 61.46 ? 601 CLA B C2C 1 +HETATM 50529 C C3C . CLA HB 23 . ? -29.308 -49.385 -33.984 1.00 61.47 ? 601 CLA B C3C 1 +HETATM 50530 C C4C . CLA HB 23 . ? -30.674 -48.943 -33.619 1.00 61.92 ? 601 CLA B C4C 1 +HETATM 50531 C CMC . CLA HB 23 . ? -27.159 -49.633 -32.422 1.00 59.81 ? 601 CLA B CMC 1 +HETATM 50532 C CAC . CLA HB 23 . ? -28.803 -49.824 -35.339 1.00 64.34 ? 601 CLA B CAC 1 +HETATM 50533 C CBC . CLA HB 23 . ? -28.429 -48.581 -36.110 1.00 59.87 ? 601 CLA B CBC 1 +HETATM 50534 N ND . CLA HB 23 . ? -33.370 -48.230 -33.056 1.00 79.01 ? 601 CLA B ND 1 +HETATM 50535 C C1D . CLA HB 23 . ? -33.042 -48.641 -34.393 1.00 65.97 ? 601 CLA B C1D 1 +HETATM 50536 C C2D . CLA HB 23 . ? -34.173 -48.734 -35.346 1.00 75.14 ? 601 CLA B C2D 1 +HETATM 50537 C C3D . CLA HB 23 . ? -35.283 -48.322 -34.448 1.00 72.88 ? 601 CLA B C3D 1 +HETATM 50538 C C4D . CLA HB 23 . ? -34.741 -48.078 -33.193 1.00 73.50 ? 601 CLA B C4D 1 +HETATM 50539 C CMD . CLA HB 23 . ? -34.336 -49.100 -36.796 1.00 73.06 ? 601 CLA B CMD 1 +HETATM 50540 C CAD . CLA HB 23 . ? -36.746 -48.095 -34.352 1.00 83.48 ? 601 CLA B CAD 1 +HETATM 50541 O OBD . CLA HB 23 . ? -37.564 -48.227 -35.327 1.00 78.01 ? 601 CLA B OBD 1 +HETATM 50542 C CBD . CLA HB 23 . ? -37.088 -47.666 -32.972 1.00 78.03 ? 601 CLA B CBD 1 +HETATM 50543 C CGD . CLA HB 23 . ? -37.646 -46.272 -33.031 1.00 81.48 ? 601 CLA B CGD 1 +HETATM 50544 O O1D . CLA HB 23 . ? -38.450 -45.891 -32.202 1.00 101.38 ? 601 CLA B O1D 1 +HETATM 50545 O O2D . CLA HB 23 . ? -37.261 -45.334 -34.072 1.00 91.67 ? 601 CLA B O2D 1 +HETATM 50546 C CED . CLA HB 23 . ? -37.771 -43.998 -34.044 1.00 74.56 ? 601 CLA B CED 1 +HETATM 50547 C C1 . CLA HB 23 . ? -38.219 -51.700 -31.712 1.00 133.47 ? 601 CLA B C1 1 +HETATM 50548 C C2 . CLA HB 23 . ? -38.774 -51.314 -33.080 1.00 123.38 ? 601 CLA B C2 1 +HETATM 50549 C C3 . CLA HB 23 . ? -38.302 -51.826 -34.242 1.00 110.33 ? 601 CLA B C3 1 +HETATM 50550 C C4 . CLA HB 23 . ? -38.894 -51.430 -35.565 1.00 104.06 ? 601 CLA B C4 1 +HETATM 50551 C C5 . CLA HB 23 . ? -37.139 -52.787 -34.228 1.00 109.27 ? 601 CLA B C5 1 +HETATM 50552 C C6 . CLA HB 23 . ? -35.804 -52.075 -34.442 1.00 109.14 ? 601 CLA B C6 1 +HETATM 50553 C C7 . CLA HB 23 . ? -35.227 -51.484 -33.159 1.00 104.00 ? 601 CLA B C7 1 +HETATM 50554 C C8 . CLA HB 23 . ? -33.973 -52.171 -32.637 1.00 86.80 ? 601 CLA B C8 1 +HETATM 50555 C C9 . CLA HB 23 . ? -34.109 -53.688 -32.642 1.00 114.64 ? 601 CLA B C9 1 +HETATM 50556 C C10 . CLA HB 23 . ? -33.713 -51.633 -31.234 1.00 82.42 ? 601 CLA B C10 1 +HETATM 50557 C C11 . CLA HB 23 . ? -32.480 -52.281 -30.621 1.00 83.30 ? 601 CLA B C11 1 +HETATM 50558 C C12 . CLA HB 23 . ? -31.858 -51.375 -29.569 1.00 79.35 ? 601 CLA B C12 1 +HETATM 50559 C C13 . CLA HB 23 . ? -32.035 -51.950 -28.173 1.00 89.44 ? 601 CLA B C13 1 +HETATM 50560 C C14 . CLA HB 23 . ? -33.343 -51.465 -27.553 1.00 108.13 ? 601 CLA B C14 1 +HETATM 50561 C C15 . CLA HB 23 . ? -30.831 -51.560 -27.320 1.00 90.91 ? 601 CLA B C15 1 +HETATM 50562 C C16 . CLA HB 23 . ? -30.916 -52.067 -25.877 1.00 100.61 ? 601 CLA B C16 1 +HETATM 50563 C C17 . CLA HB 23 . ? -29.535 -52.468 -25.359 1.00 92.29 ? 601 CLA B C17 1 +HETATM 50564 C C18 . CLA HB 23 . ? -29.321 -52.016 -23.923 1.00 92.98 ? 601 CLA B C18 1 +HETATM 50565 C C19 . CLA HB 23 . ? -29.567 -50.524 -23.770 1.00 88.91 ? 601 CLA B C19 1 +HETATM 50566 C C20 . CLA HB 23 . ? -27.918 -52.366 -23.451 1.00 102.64 ? 601 CLA B C20 1 +HETATM 50567 MG MG . CLA IB 23 . ? -23.885 -43.287 -27.964 1.00 53.69 ? 602 CLA B MG 1 +HETATM 50568 C CHA . CLA IB 23 . ? -20.893 -42.769 -29.639 1.00 54.68 ? 602 CLA B CHA 1 +HETATM 50569 C CHB . CLA IB 23 . ? -25.469 -41.774 -30.566 1.00 51.08 ? 602 CLA B CHB 1 +HETATM 50570 C CHC . CLA IB 23 . ? -26.819 -44.443 -26.664 1.00 51.15 ? 602 CLA B CHC 1 +HETATM 50571 C CHD . CLA IB 23 . ? -22.048 -45.459 -25.583 1.00 50.78 ? 602 CLA B CHD 1 +HETATM 50572 N NA . CLA IB 23 . ? -23.312 -42.484 -29.794 1.00 61.21 ? 602 CLA B NA 1 +HETATM 50573 C C1A . CLA IB 23 . ? -22.137 -42.202 -30.231 1.00 46.34 ? 602 CLA B C1A 1 +HETATM 50574 C C2A . CLA IB 23 . ? -22.034 -41.341 -31.446 1.00 52.14 ? 602 CLA B C2A 1 +HETATM 50575 C C3A . CLA IB 23 . ? -23.477 -40.969 -31.662 1.00 68.55 ? 602 CLA B C3A 1 +HETATM 50576 C C4A . CLA IB 23 . ? -24.132 -41.807 -30.607 1.00 65.49 ? 602 CLA B C4A 1 +HETATM 50577 C CMA . CLA IB 23 . ? -23.583 -39.526 -31.157 1.00 52.38 ? 602 CLA B CMA 1 +HETATM 50578 C CAA . CLA IB 23 . ? -21.716 -42.274 -32.624 1.00 54.92 ? 602 CLA B CAA 1 +HETATM 50579 C CBA . CLA IB 23 . ? -21.435 -41.550 -33.945 1.00 55.04 ? 602 CLA B CBA 1 +HETATM 50580 C CGA . CLA IB 23 . ? -19.965 -41.223 -33.942 1.00 50.68 ? 602 CLA B CGA 1 +HETATM 50581 O O1A . CLA IB 23 . ? -19.551 -40.084 -34.060 1.00 54.32 ? 602 CLA B O1A 1 +HETATM 50582 O O2A . CLA IB 23 . ? -19.047 -42.322 -33.726 1.00 55.85 ? 602 CLA B O2A 1 +HETATM 50583 N NB . CLA IB 23 . ? -25.843 -43.114 -28.539 1.00 56.05 ? 602 CLA B NB 1 +HETATM 50584 C C1B . CLA IB 23 . ? -26.334 -42.484 -29.600 1.00 63.61 ? 602 CLA B C1B 1 +HETATM 50585 C C2B . CLA IB 23 . ? -27.820 -42.582 -29.761 1.00 62.45 ? 602 CLA B C2B 1 +HETATM 50586 C C3B . CLA IB 23 . ? -28.198 -43.389 -28.578 1.00 60.89 ? 602 CLA B C3B 1 +HETATM 50587 C C4B . CLA IB 23 . ? -26.897 -43.667 -27.916 1.00 62.56 ? 602 CLA B C4B 1 +HETATM 50588 C CMB . CLA IB 23 . ? -28.700 -42.001 -30.834 1.00 52.66 ? 602 CLA B CMB 1 +HETATM 50589 C CAB . CLA IB 23 . ? -29.534 -43.844 -28.107 1.00 56.65 ? 602 CLA B CAB 1 +HETATM 50590 C CBB . CLA IB 23 . ? -30.341 -44.566 -28.851 1.00 62.56 ? 602 CLA B CBB 1 +HETATM 50591 N NC . CLA IB 23 . ? -24.322 -44.668 -26.469 1.00 62.48 ? 602 CLA B NC 1 +HETATM 50592 C C1C . CLA IB 23 . ? -25.577 -44.951 -26.047 1.00 58.86 ? 602 CLA B C1C 1 +HETATM 50593 C C2C . CLA IB 23 . ? -25.650 -45.879 -24.865 1.00 59.97 ? 602 CLA B C2C 1 +HETATM 50594 C C3C . CLA IB 23 . ? -24.237 -46.155 -24.567 1.00 58.56 ? 602 CLA B C3C 1 +HETATM 50595 C C4C . CLA IB 23 . ? -23.523 -45.375 -25.614 1.00 58.87 ? 602 CLA B C4C 1 +HETATM 50596 C CMC . CLA IB 23 . ? -26.826 -46.426 -24.101 1.00 54.25 ? 602 CLA B CMC 1 +HETATM 50597 C CAC . CLA IB 23 . ? -23.664 -47.033 -23.481 1.00 46.45 ? 602 CLA B CAC 1 +HETATM 50598 C CBC . CLA IB 23 . ? -23.401 -46.177 -22.259 1.00 47.99 ? 602 CLA B CBC 1 +HETATM 50599 N ND . CLA IB 23 . ? -22.014 -44.025 -27.648 1.00 59.81 ? 602 CLA B ND 1 +HETATM 50600 C C1D . CLA IB 23 . ? -21.307 -44.811 -26.668 1.00 54.72 ? 602 CLA B C1D 1 +HETATM 50601 C C2D . CLA IB 23 . ? -19.845 -44.884 -26.844 1.00 47.77 ? 602 CLA B C2D 1 +HETATM 50602 C C3D . CLA IB 23 . ? -19.705 -44.053 -28.078 1.00 56.37 ? 602 CLA B C3D 1 +HETATM 50603 C C4D . CLA IB 23 . ? -20.963 -43.637 -28.453 1.00 50.14 ? 602 CLA B C4D 1 +HETATM 50604 C CMD . CLA IB 23 . ? -18.717 -45.552 -26.127 1.00 53.40 ? 602 CLA B CMD 1 +HETATM 50605 C CAD . CLA IB 23 . ? -18.752 -43.500 -29.071 1.00 53.91 ? 602 CLA B CAD 1 +HETATM 50606 O OBD . CLA IB 23 . ? -17.489 -43.696 -29.028 1.00 59.40 ? 602 CLA B OBD 1 +HETATM 50607 C CBD . CLA IB 23 . ? -19.471 -42.669 -30.076 1.00 48.89 ? 602 CLA B CBD 1 +HETATM 50608 C CGD . CLA IB 23 . ? -19.023 -41.240 -29.903 1.00 49.16 ? 602 CLA B CGD 1 +HETATM 50609 O O1D . CLA IB 23 . ? -19.213 -40.620 -28.881 1.00 54.85 ? 602 CLA B O1D 1 +HETATM 50610 O O2D . CLA IB 23 . ? -18.366 -40.526 -30.967 1.00 50.41 ? 602 CLA B O2D 1 +HETATM 50611 C CED . CLA IB 23 . ? -18.169 -39.138 -30.824 1.00 47.25 ? 602 CLA B CED 1 +HETATM 50612 C C1 . CLA IB 23 . ? -17.646 -42.097 -33.656 1.00 54.91 ? 602 CLA B C1 1 +HETATM 50613 C C2 . CLA IB 23 . ? -17.048 -43.208 -32.828 1.00 58.38 ? 602 CLA B C2 1 +HETATM 50614 C C3 . CLA IB 23 . ? -16.981 -44.473 -33.274 1.00 55.19 ? 602 CLA B C3 1 +HETATM 50615 C C4 . CLA IB 23 . ? -17.470 -44.858 -34.641 1.00 57.11 ? 602 CLA B C4 1 +HETATM 50616 C C5 . CLA IB 23 . ? -16.369 -45.526 -32.400 1.00 49.52 ? 602 CLA B C5 1 +HETATM 50617 C C6 . CLA IB 23 . ? -15.023 -45.952 -32.962 1.00 52.48 ? 602 CLA B C6 1 +HETATM 50618 C C7 . CLA IB 23 . ? -14.246 -46.712 -31.906 1.00 70.56 ? 602 CLA B C7 1 +HETATM 50619 C C8 . CLA IB 23 . ? -12.869 -47.116 -32.401 1.00 68.39 ? 602 CLA B C8 1 +HETATM 50620 C C9 . CLA IB 23 . ? -12.885 -47.433 -33.882 1.00 70.21 ? 602 CLA B C9 1 +HETATM 50621 C C10 . CLA IB 23 . ? -12.437 -48.346 -31.629 1.00 88.34 ? 602 CLA B C10 1 +HETATM 50622 C C11 . CLA IB 23 . ? -10.946 -48.566 -31.814 1.00 83.72 ? 602 CLA B C11 1 +HETATM 50623 C C12 . CLA IB 23 . ? -10.167 -47.582 -30.957 1.00 81.59 ? 602 CLA B C12 1 +HETATM 50624 C C13 . CLA IB 23 . ? -8.697 -47.946 -31.052 1.00 74.49 ? 602 CLA B C13 1 +HETATM 50625 C C14 . CLA IB 23 . ? -8.068 -47.978 -29.666 1.00 66.29 ? 602 CLA B C14 1 +HETATM 50626 C C15 . CLA IB 23 . ? -8.041 -46.901 -31.941 1.00 75.63 ? 602 CLA B C15 1 +HETATM 50627 C C16 . CLA IB 23 . ? -6.634 -47.318 -32.293 1.00 67.55 ? 602 CLA B C16 1 +HETATM 50628 C C17 . CLA IB 23 . ? -6.589 -47.588 -33.781 1.00 67.07 ? 602 CLA B C17 1 +HETATM 50629 C C18 . CLA IB 23 . ? -6.029 -46.395 -34.521 1.00 57.83 ? 602 CLA B C18 1 +HETATM 50630 C C19 . CLA IB 23 . ? -5.809 -46.752 -35.980 1.00 63.97 ? 602 CLA B C19 1 +HETATM 50631 C C20 . CLA IB 23 . ? -4.728 -45.952 -33.883 1.00 64.74 ? 602 CLA B C20 1 +HETATM 50632 MG MG . CLA JB 23 . ? -20.424 -36.331 -23.787 1.00 52.88 ? 603 CLA B MG 1 +HETATM 50633 C CHA . CLA JB 23 . ? -19.496 -33.657 -25.811 1.00 47.92 ? 603 CLA B CHA 1 +HETATM 50634 C CHB . CLA JB 23 . ? -19.649 -38.392 -26.340 1.00 54.41 ? 603 CLA B CHB 1 +HETATM 50635 C CHC . CLA JB 23 . ? -20.457 -38.896 -21.520 1.00 47.87 ? 603 CLA B CHC 1 +HETATM 50636 C CHD . CLA JB 23 . ? -20.689 -33.952 -21.000 1.00 50.56 ? 603 CLA B CHD 1 +HETATM 50637 N NA . CLA JB 23 . ? -19.648 -36.098 -25.705 1.00 52.86 ? 603 CLA B NA 1 +HETATM 50638 C C1A . CLA JB 23 . ? -19.503 -35.029 -26.400 1.00 46.03 ? 603 CLA B C1A 1 +HETATM 50639 C C2A . CLA JB 23 . ? -19.180 -35.211 -27.848 1.00 52.53 ? 603 CLA B C2A 1 +HETATM 50640 C C3A . CLA JB 23 . ? -19.329 -36.701 -28.033 1.00 55.91 ? 603 CLA B C3A 1 +HETATM 50641 C C4A . CLA JB 23 . ? -19.562 -37.092 -26.600 1.00 47.90 ? 603 CLA B C4A 1 +HETATM 50642 C CMA . CLA JB 23 . ? -20.610 -36.849 -28.853 1.00 49.12 ? 603 CLA B CMA 1 +HETATM 50643 C CAA . CLA JB 23 . ? -17.661 -34.991 -28.012 1.00 43.27 ? 603 CLA B CAA 1 +HETATM 50644 C CBA . CLA JB 23 . ? -16.724 -35.737 -27.019 1.00 43.83 ? 603 CLA B CBA 1 +HETATM 50645 C CGA . CLA JB 23 . ? -16.291 -37.135 -27.463 1.00 54.92 ? 603 CLA B CGA 1 +HETATM 50646 O O1A . CLA JB 23 . ? -16.321 -37.507 -28.632 1.00 54.84 ? 603 CLA B O1A 1 +HETATM 50647 O O2A . CLA JB 23 . ? -15.829 -38.107 -26.512 1.00 52.14 ? 603 CLA B O2A 1 +HETATM 50648 N NB . CLA JB 23 . ? -20.120 -38.343 -23.918 1.00 58.30 ? 603 CLA B NB 1 +HETATM 50649 C C1B . CLA JB 23 . ? -19.840 -39.027 -25.021 1.00 56.52 ? 603 CLA B C1B 1 +HETATM 50650 C C2B . CLA JB 23 . ? -19.638 -40.488 -24.819 1.00 53.77 ? 603 CLA B C2B 1 +HETATM 50651 C C3B . CLA JB 23 . ? -19.876 -40.625 -23.356 1.00 57.64 ? 603 CLA B C3B 1 +HETATM 50652 C C4B . CLA JB 23 . ? -20.167 -39.238 -22.925 1.00 53.58 ? 603 CLA B C4B 1 +HETATM 50653 C CMB . CLA JB 23 . ? -19.303 -41.521 -25.845 1.00 43.58 ? 603 CLA B CMB 1 +HETATM 50654 C CAB . CLA JB 23 . ? -19.858 -41.838 -22.476 1.00 52.66 ? 603 CLA B CAB 1 +HETATM 50655 C CBB . CLA JB 23 . ? -20.229 -43.024 -22.924 1.00 48.07 ? 603 CLA B CBB 1 +HETATM 50656 N NC . CLA JB 23 . ? -20.588 -36.389 -21.726 1.00 50.58 ? 603 CLA B NC 1 +HETATM 50657 C C1C . CLA JB 23 . ? -20.506 -37.524 -21.000 1.00 52.50 ? 603 CLA B C1C 1 +HETATM 50658 C C2C . CLA JB 23 . ? -20.469 -37.325 -19.528 1.00 48.74 ? 603 CLA B C2C 1 +HETATM 50659 C C3C . CLA JB 23 . ? -20.549 -35.862 -19.386 1.00 54.20 ? 603 CLA B C3C 1 +HETATM 50660 C C4C . CLA JB 23 . ? -20.618 -35.408 -20.798 1.00 48.24 ? 603 CLA B C4C 1 +HETATM 50661 C CMC . CLA JB 23 . ? -20.377 -38.350 -18.426 1.00 50.67 ? 603 CLA B CMC 1 +HETATM 50662 C CAC . CLA JB 23 . ? -20.542 -35.035 -18.114 1.00 61.58 ? 603 CLA B CAC 1 +HETATM 50663 C CBC . CLA JB 23 . ? -19.095 -34.727 -17.790 1.00 45.16 ? 603 CLA B CBC 1 +HETATM 50664 N ND . CLA JB 23 . ? -20.177 -34.343 -23.407 1.00 56.14 ? 603 CLA B ND 1 +HETATM 50665 C C1D . CLA JB 23 . ? -20.300 -33.435 -22.298 1.00 56.51 ? 603 CLA B C1D 1 +HETATM 50666 C C2D . CLA JB 23 . ? -20.031 -32.011 -22.582 1.00 56.21 ? 603 CLA B C2D 1 +HETATM 50667 C C3D . CLA JB 23 . ? -19.697 -32.118 -24.032 1.00 51.93 ? 603 CLA B C3D 1 +HETATM 50668 C C4D . CLA JB 23 . ? -19.771 -33.463 -24.383 1.00 48.90 ? 603 CLA B C4D 1 +HETATM 50669 C CMD . CLA JB 23 . ? -20.050 -30.756 -21.770 1.00 51.21 ? 603 CLA B CMD 1 +HETATM 50670 C CAD . CLA JB 23 . ? -19.281 -31.372 -25.241 1.00 48.16 ? 603 CLA B CAD 1 +HETATM 50671 O OBD . CLA JB 23 . ? -19.100 -30.102 -25.279 1.00 56.10 ? 603 CLA B OBD 1 +HETATM 50672 C CBD . CLA JB 23 . ? -19.152 -32.320 -26.383 1.00 54.32 ? 603 CLA B CBD 1 +HETATM 50673 C CGD . CLA JB 23 . ? -20.135 -31.869 -27.430 1.00 48.98 ? 603 CLA B CGD 1 +HETATM 50674 O O1D . CLA JB 23 . ? -19.787 -31.670 -28.565 1.00 59.79 ? 603 CLA B O1D 1 +HETATM 50675 O O2D . CLA JB 23 . ? -21.522 -31.605 -27.163 1.00 61.11 ? 603 CLA B O2D 1 +HETATM 50676 C CED . CLA JB 23 . ? -22.199 -30.880 -28.184 1.00 62.74 ? 603 CLA B CED 1 +HETATM 50677 C C1 . CLA JB 23 . ? -15.755 -39.484 -26.895 1.00 58.05 ? 603 CLA B C1 1 +HETATM 50678 C C2 . CLA JB 23 . ? -15.653 -40.321 -25.639 1.00 58.57 ? 603 CLA B C2 1 +HETATM 50679 C C3 . CLA JB 23 . ? -15.345 -41.630 -25.609 1.00 53.02 ? 603 CLA B C3 1 +HETATM 50680 C C4 . CLA JB 23 . ? -15.079 -42.432 -26.848 1.00 52.79 ? 603 CLA B C4 1 +HETATM 50681 C C5 . CLA JB 23 . ? -15.253 -42.282 -24.252 1.00 58.10 ? 603 CLA B C5 1 +HETATM 50682 C C6 . CLA JB 23 . ? -15.854 -43.669 -24.160 1.00 69.65 ? 603 CLA B C6 1 +HETATM 50683 C C7 . CLA JB 23 . ? -15.983 -44.013 -22.681 1.00 75.90 ? 603 CLA B C7 1 +HETATM 50684 C C8 . CLA JB 23 . ? -16.115 -45.520 -22.498 1.00 66.73 ? 603 CLA B C8 1 +HETATM 50685 C C9 . CLA JB 23 . ? -16.465 -45.827 -21.059 1.00 74.98 ? 603 CLA B C9 1 +HETATM 50686 C C10 . CLA JB 23 . ? -14.779 -46.138 -22.870 1.00 61.61 ? 603 CLA B C10 1 +HETATM 50687 C C11 . CLA JB 23 . ? -14.788 -47.648 -22.761 1.00 64.35 ? 603 CLA B C11 1 +HETATM 50688 C C12 . CLA JB 23 . ? -13.448 -48.158 -23.255 1.00 71.01 ? 603 CLA B C12 1 +HETATM 50689 C C13 . CLA JB 23 . ? -13.429 -49.666 -23.373 1.00 69.18 ? 603 CLA B C13 1 +HETATM 50690 C C14 . CLA JB 23 . ? -12.029 -50.182 -23.077 1.00 73.76 ? 603 CLA B C14 1 +HETATM 50691 C C15 . CLA JB 23 . ? -13.876 -50.045 -24.777 1.00 69.99 ? 603 CLA B C15 1 +HETATM 50692 C C16 . CLA JB 23 . ? -13.554 -51.500 -25.109 1.00 67.56 ? 603 CLA B C16 1 +HETATM 50693 C C17 . CLA JB 23 . ? -14.716 -52.168 -25.827 1.00 60.72 ? 603 CLA B C17 1 +HETATM 50694 C C18 . CLA JB 23 . ? -14.523 -53.677 -25.909 1.00 83.18 ? 603 CLA B C18 1 +HETATM 50695 C C19 . CLA JB 23 . ? -14.453 -54.152 -27.354 1.00 74.25 ? 603 CLA B C19 1 +HETATM 50696 C C20 . CLA JB 23 . ? -15.628 -54.421 -25.164 1.00 71.27 ? 603 CLA B C20 1 +HETATM 50697 MG MG . CLA KB 23 . ? -7.635 -32.529 -24.821 1.00 43.23 ? 604 CLA B MG 1 +HETATM 50698 C CHA . CLA KB 23 . ? -11.106 -32.337 -25.238 1.00 46.83 ? 604 CLA B CHA 1 +HETATM 50699 C CHB . CLA KB 23 . ? -7.559 -29.141 -24.600 1.00 43.79 ? 604 CLA B CHB 1 +HETATM 50700 C CHC . CLA KB 23 . ? -4.464 -32.818 -23.534 1.00 37.96 ? 604 CLA B CHC 1 +HETATM 50701 C CHD . CLA KB 23 . ? -7.974 -36.184 -24.471 1.00 45.43 ? 604 CLA B CHD 1 +HETATM 50702 N NA . CLA KB 23 . ? -9.072 -30.990 -24.872 1.00 45.30 ? 604 CLA B NA 1 +HETATM 50703 C C1A . CLA KB 23 . ? -10.343 -31.032 -25.162 1.00 45.35 ? 604 CLA B C1A 1 +HETATM 50704 C C2A . CLA KB 23 . ? -11.042 -29.700 -25.373 1.00 46.56 ? 604 CLA B C2A 1 +HETATM 50705 C C3A . CLA KB 23 . ? -9.900 -28.707 -25.118 1.00 49.55 ? 604 CLA B C3A 1 +HETATM 50706 C C4A . CLA KB 23 . ? -8.768 -29.676 -24.845 1.00 47.10 ? 604 CLA B C4A 1 +HETATM 50707 C CMA . CLA KB 23 . ? -9.656 -27.747 -26.296 1.00 48.44 ? 604 CLA B CMA 1 +HETATM 50708 C CAA . CLA KB 23 . ? -12.200 -29.395 -24.406 1.00 46.41 ? 604 CLA B CAA 1 +HETATM 50709 C CBA . CLA KB 23 . ? -11.915 -29.840 -22.974 1.00 47.72 ? 604 CLA B CBA 1 +HETATM 50710 C CGA . CLA KB 23 . ? -12.946 -29.360 -21.973 1.00 49.71 ? 604 CLA B CGA 1 +HETATM 50711 O O1A . CLA KB 23 . ? -13.757 -28.478 -22.195 1.00 55.28 ? 604 CLA B O1A 1 +HETATM 50712 O O2A . CLA KB 23 . ? -12.989 -29.952 -20.663 1.00 54.68 ? 604 CLA B O2A 1 +HETATM 50713 N NB . CLA KB 23 . ? -6.241 -31.177 -24.183 1.00 45.79 ? 604 CLA B NB 1 +HETATM 50714 C C1B . CLA KB 23 . ? -6.312 -29.845 -24.239 1.00 43.01 ? 604 CLA B C1B 1 +HETATM 50715 C C2B . CLA KB 23 . ? -5.057 -29.144 -23.808 1.00 48.12 ? 604 CLA B C2B 1 +HETATM 50716 C C3B . CLA KB 23 . ? -4.157 -30.277 -23.498 1.00 45.48 ? 604 CLA B C3B 1 +HETATM 50717 C C4B . CLA KB 23 . ? -5.001 -31.471 -23.755 1.00 50.72 ? 604 CLA B C4B 1 +HETATM 50718 C CMB . CLA KB 23 . ? -4.758 -27.675 -23.729 1.00 38.84 ? 604 CLA B CMB 1 +HETATM 50719 C CAB . CLA KB 23 . ? -2.747 -30.330 -23.031 1.00 51.08 ? 604 CLA B CAB 1 +HETATM 50720 C CBB . CLA KB 23 . ? -1.875 -29.383 -23.322 1.00 49.08 ? 604 CLA B CBB 1 +HETATM 50721 N NC . CLA KB 23 . ? -6.500 -34.157 -24.128 1.00 46.08 ? 604 CLA B NC 1 +HETATM 50722 C C1C . CLA KB 23 . ? -5.238 -34.063 -23.657 1.00 41.59 ? 604 CLA B C1C 1 +HETATM 50723 C C2C . CLA KB 23 . ? -4.592 -35.338 -23.263 1.00 42.16 ? 604 CLA B C2C 1 +HETATM 50724 C C3C . CLA KB 23 . ? -5.640 -36.334 -23.544 1.00 48.83 ? 604 CLA B C3C 1 +HETATM 50725 C C4C . CLA KB 23 . ? -6.737 -35.487 -24.078 1.00 39.25 ? 604 CLA B C4C 1 +HETATM 50726 C CMC . CLA KB 23 . ? -3.221 -35.561 -22.680 1.00 43.20 ? 604 CLA B CMC 1 +HETATM 50727 C CAC . CLA KB 23 . ? -5.621 -37.842 -23.331 1.00 46.09 ? 604 CLA B CAC 1 +HETATM 50728 C CBC . CLA KB 23 . ? -4.630 -38.573 -24.239 1.00 44.97 ? 604 CLA B CBC 1 +HETATM 50729 N ND . CLA KB 23 . ? -9.079 -33.948 -24.807 1.00 45.86 ? 604 CLA B ND 1 +HETATM 50730 C C1D . CLA KB 23 . ? -9.167 -35.362 -24.696 1.00 38.39 ? 604 CLA B C1D 1 +HETATM 50731 C C2D . CLA KB 23 . ? -10.514 -35.913 -24.857 1.00 49.34 ? 604 CLA B C2D 1 +HETATM 50732 C C3D . CLA KB 23 . ? -11.288 -34.684 -25.075 1.00 44.42 ? 604 CLA B C3D 1 +HETATM 50733 C C4D . CLA KB 23 . ? -10.402 -33.621 -25.025 1.00 45.06 ? 604 CLA B C4D 1 +HETATM 50734 C CMD . CLA KB 23 . ? -11.094 -37.286 -24.846 1.00 49.47 ? 604 CLA B CMD 1 +HETATM 50735 C CAD . CLA KB 23 . ? -12.644 -34.150 -25.314 1.00 51.38 ? 604 CLA B CAD 1 +HETATM 50736 O OBD . CLA KB 23 . ? -13.697 -34.881 -25.406 1.00 52.16 ? 604 CLA B OBD 1 +HETATM 50737 C CBD . CLA KB 23 . ? -12.565 -32.673 -25.395 1.00 47.47 ? 604 CLA B CBD 1 +HETATM 50738 C CGD . CLA KB 23 . ? -13.201 -32.266 -26.684 1.00 53.03 ? 604 CLA B CGD 1 +HETATM 50739 O O1D . CLA KB 23 . ? -14.288 -31.694 -26.678 1.00 55.22 ? 604 CLA B O1D 1 +HETATM 50740 O O2D . CLA KB 23 . ? -12.562 -32.539 -27.955 1.00 51.20 ? 604 CLA B O2D 1 +HETATM 50741 C CED . CLA KB 23 . ? -13.297 -32.373 -29.170 1.00 46.39 ? 604 CLA B CED 1 +HETATM 50742 C C1 . CLA KB 23 . ? -13.915 -29.440 -19.729 1.00 57.08 ? 604 CLA B C1 1 +HETATM 50743 C C2 . CLA KB 23 . ? -13.865 -30.347 -18.539 1.00 58.23 ? 604 CLA B C2 1 +HETATM 50744 C C3 . CLA KB 23 . ? -14.971 -31.017 -18.211 1.00 87.68 ? 604 CLA B C3 1 +HETATM 50745 C C4 . CLA KB 23 . ? -16.218 -30.805 -19.016 1.00 87.22 ? 604 CLA B C4 1 +HETATM 50746 C C5 . CLA KB 23 . ? -15.020 -31.930 -17.010 1.00 89.86 ? 604 CLA B C5 1 +HETATM 50747 C C6 . CLA KB 23 . ? -16.149 -31.417 -16.121 1.00 71.44 ? 604 CLA B C6 1 +HETATM 50748 C C7 . CLA KB 23 . ? -16.050 -31.875 -14.679 1.00 79.75 ? 604 CLA B C7 1 +HETATM 50749 C C8 . CLA KB 23 . ? -17.446 -31.847 -14.084 1.00 79.28 ? 604 CLA B C8 1 +HETATM 50750 C C9 . CLA KB 23 . ? -18.039 -30.448 -14.186 1.00 87.68 ? 604 CLA B C9 1 +HETATM 50751 C C10 . CLA KB 23 . ? -17.380 -32.324 -12.639 1.00 82.65 ? 604 CLA B C10 1 +HETATM 50752 C C11 . CLA KB 23 . ? -18.765 -32.291 -12.011 1.00 95.52 ? 604 CLA B C11 1 +HETATM 50753 C C12 . CLA KB 23 . ? -18.834 -33.057 -10.694 1.00 83.44 ? 604 CLA B C12 1 +HETATM 50754 C C13 . CLA KB 23 . ? -20.119 -32.648 -9.986 1.00 107.75 ? 604 CLA B C13 1 +HETATM 50755 C C14 . CLA KB 23 . ? -19.924 -31.344 -9.228 1.00 118.58 ? 604 CLA B C14 1 +HETATM 50756 C C15 . CLA KB 23 . ? -20.604 -33.753 -9.059 1.00 107.19 ? 604 CLA B C15 1 +HETATM 50757 C C16 . CLA KB 23 . ? -22.096 -33.599 -8.757 1.00 133.58 ? 604 CLA B C16 1 +HETATM 50758 C C17 . CLA KB 23 . ? -22.952 -33.744 -10.018 1.00 134.49 ? 604 CLA B C17 1 +HETATM 50759 C C18 . CLA KB 23 . ? -24.444 -33.614 -9.704 1.00 133.99 ? 604 CLA B C18 1 +HETATM 50760 C C19 . CLA KB 23 . ? -25.312 -33.990 -10.906 1.00 102.79 ? 604 CLA B C19 1 +HETATM 50761 C C20 . CLA KB 23 . ? -24.778 -32.212 -9.199 1.00 122.06 ? 604 CLA B C20 1 +HETATM 50762 MG MG . CLA LB 23 . ? -14.603 -25.807 -17.946 1.00 47.32 ? 605 CLA B MG 1 +HETATM 50763 C CHA . CLA LB 23 . ? -13.737 -25.448 -21.270 1.00 48.99 ? 605 CLA B CHA 1 +HETATM 50764 C CHB . CLA LB 23 . ? -17.826 -25.164 -18.832 1.00 39.16 ? 605 CLA B CHB 1 +HETATM 50765 C CHC . CLA LB 23 . ? -15.494 -26.862 -14.837 1.00 45.50 ? 605 CLA B CHC 1 +HETATM 50766 C CHD . CLA LB 23 . ? -11.198 -27.166 -17.359 1.00 41.41 ? 605 CLA B CHD 1 +HETATM 50767 N NA . CLA LB 23 . ? -15.616 -25.417 -19.730 1.00 47.87 ? 605 CLA B NA 1 +HETATM 50768 C C1A . CLA LB 23 . ? -15.149 -25.154 -20.895 1.00 45.21 ? 605 CLA B C1A 1 +HETATM 50769 C C2A . CLA LB 23 . ? -16.114 -24.701 -21.959 1.00 45.93 ? 605 CLA B C2A 1 +HETATM 50770 C C3A . CLA LB 23 . ? -17.384 -24.567 -21.151 1.00 41.93 ? 605 CLA B C3A 1 +HETATM 50771 C C4A . CLA LB 23 . ? -16.912 -25.080 -19.813 1.00 53.46 ? 605 CLA B C4A 1 +HETATM 50772 C CMA . CLA LB 23 . ? -17.681 -23.085 -20.998 1.00 43.98 ? 605 CLA B CMA 1 +HETATM 50773 C CAA . CLA LB 23 . ? -16.334 -25.821 -23.002 1.00 42.63 ? 605 CLA B CAA 1 +HETATM 50774 C CBA . CLA LB 23 . ? -16.798 -27.159 -22.373 1.00 44.91 ? 605 CLA B CBA 1 +HETATM 50775 C CGA . CLA LB 23 . ? -16.542 -28.429 -23.185 1.00 51.04 ? 605 CLA B CGA 1 +HETATM 50776 O O1A . CLA LB 23 . ? -16.283 -28.468 -24.383 1.00 51.16 ? 605 CLA B O1A 1 +HETATM 50777 O O2A . CLA LB 23 . ? -16.564 -29.703 -22.510 1.00 51.85 ? 605 CLA B O2A 1 +HETATM 50778 N NB . CLA LB 23 . ? -16.410 -26.001 -16.987 1.00 47.23 ? 605 CLA B NB 1 +HETATM 50779 C C1B . CLA LB 23 . ? -17.614 -25.651 -17.455 1.00 53.98 ? 605 CLA B C1B 1 +HETATM 50780 C C2B . CLA LB 23 . ? -18.741 -25.868 -16.500 1.00 48.99 ? 605 CLA B C2B 1 +HETATM 50781 C C3B . CLA LB 23 . ? -18.039 -26.361 -15.317 1.00 49.90 ? 605 CLA B C3B 1 +HETATM 50782 C C4B . CLA LB 23 . ? -16.599 -26.419 -15.729 1.00 50.01 ? 605 CLA B C4B 1 +HETATM 50783 C CMB . CLA LB 23 . ? -20.217 -25.635 -16.641 1.00 55.73 ? 605 CLA B CMB 1 +HETATM 50784 C CAB . CLA LB 23 . ? -18.690 -26.716 -14.033 1.00 47.79 ? 605 CLA B CAB 1 +HETATM 50785 C CBB . CLA LB 23 . ? -18.031 -26.720 -12.903 1.00 65.37 ? 605 CLA B CBB 1 +HETATM 50786 N NC . CLA LB 23 . ? -13.573 -26.803 -16.451 1.00 50.42 ? 605 CLA B NC 1 +HETATM 50787 C C1C . CLA LB 23 . ? -14.104 -27.118 -15.249 1.00 41.38 ? 605 CLA B C1C 1 +HETATM 50788 C C2C . CLA LB 23 . ? -13.162 -27.782 -14.308 1.00 48.34 ? 605 CLA B C2C 1 +HETATM 50789 C C3C . CLA LB 23 . ? -11.905 -27.851 -15.073 1.00 48.54 ? 605 CLA B C3C 1 +HETATM 50790 C C4C . CLA LB 23 . ? -12.283 -27.225 -16.362 1.00 48.30 ? 605 CLA B C4C 1 +HETATM 50791 C CMC . CLA LB 23 . ? -13.398 -28.283 -12.904 1.00 53.88 ? 605 CLA B CMC 1 +HETATM 50792 C CAC . CLA LB 23 . ? -10.559 -28.425 -14.692 1.00 47.05 ? 605 CLA B CAC 1 +HETATM 50793 C CBC . CLA LB 23 . ? -10.561 -29.862 -15.174 1.00 45.02 ? 605 CLA B CBC 1 +HETATM 50794 N ND . CLA LB 23 . ? -12.875 -26.246 -18.948 1.00 45.85 ? 605 CLA B ND 1 +HETATM 50795 C C1D . CLA LB 23 . ? -11.548 -26.737 -18.699 1.00 40.64 ? 605 CLA B C1D 1 +HETATM 50796 C C2D . CLA LB 23 . ? -10.628 -26.753 -19.858 1.00 47.21 ? 605 CLA B C2D 1 +HETATM 50797 C C3D . CLA LB 23 . ? -11.556 -26.215 -20.892 1.00 44.85 ? 605 CLA B C3D 1 +HETATM 50798 C C4D . CLA LB 23 . ? -12.769 -25.967 -20.292 1.00 39.02 ? 605 CLA B C4D 1 +HETATM 50799 C CMD . CLA LB 23 . ? -9.194 -27.150 -20.111 1.00 46.82 ? 605 CLA B CMD 1 +HETATM 50800 C CAD . CLA LB 23 . ? -11.691 -25.842 -22.319 1.00 42.21 ? 605 CLA B CAD 1 +HETATM 50801 O OBD . CLA LB 23 . ? -10.735 -25.922 -23.155 1.00 49.98 ? 605 CLA B OBD 1 +HETATM 50802 C CBD . CLA LB 23 . ? -13.057 -25.321 -22.588 1.00 50.89 ? 605 CLA B CBD 1 +HETATM 50803 C CGD . CLA LB 23 . ? -12.977 -23.827 -22.837 1.00 49.99 ? 605 CLA B CGD 1 +HETATM 50804 O O1D . CLA LB 23 . ? -13.607 -23.267 -23.729 1.00 52.48 ? 605 CLA B O1D 1 +HETATM 50805 O O2D . CLA LB 23 . ? -12.143 -22.997 -22.002 1.00 51.65 ? 605 CLA B O2D 1 +HETATM 50806 C CED . CLA LB 23 . ? -12.245 -21.587 -22.109 1.00 43.44 ? 605 CLA B CED 1 +HETATM 50807 C C1 . CLA LB 23 . ? -16.242 -30.883 -23.214 1.00 53.74 ? 605 CLA B C1 1 +HETATM 50808 C C2 . CLA LB 23 . ? -16.273 -31.968 -22.180 1.00 52.13 ? 605 CLA B C2 1 +HETATM 50809 C C3 . CLA LB 23 . ? -16.288 -33.243 -22.534 1.00 63.11 ? 605 CLA B C3 1 +HETATM 50810 C C4 . CLA LB 23 . ? -16.303 -33.637 -23.991 1.00 58.49 ? 605 CLA B C4 1 +HETATM 50811 C C5 . CLA LB 23 . ? -16.332 -34.266 -21.435 1.00 57.05 ? 605 CLA B C5 1 +HETATM 50812 C C6 . CLA LB 23 . ? -16.352 -35.692 -21.953 1.00 69.37 ? 605 CLA B C6 1 +HETATM 50813 C C7 . CLA LB 23 . ? -16.597 -36.620 -20.778 1.00 65.60 ? 605 CLA B C7 1 +HETATM 50814 C C8 . CLA LB 23 . ? -15.880 -37.944 -20.977 1.00 60.54 ? 605 CLA B C8 1 +HETATM 50815 C C9 . CLA LB 23 . ? -16.059 -38.432 -22.387 1.00 52.86 ? 605 CLA B C9 1 +HETATM 50816 C C10 . CLA LB 23 . ? -16.460 -38.938 -19.979 1.00 58.69 ? 605 CLA B C10 1 +HETATM 50817 C C11 . CLA LB 23 . ? -15.959 -40.342 -20.228 1.00 64.69 ? 605 CLA B C11 1 +HETATM 50818 C C12 . CLA LB 23 . ? -15.956 -41.110 -18.909 1.00 86.12 ? 605 CLA B C12 1 +HETATM 50819 C C13 . CLA LB 23 . ? -17.351 -41.312 -18.344 1.00 57.39 ? 605 CLA B C13 1 +HETATM 50820 C C14 . CLA LB 23 . ? -17.189 -41.389 -16.841 1.00 75.77 ? 605 CLA B C14 1 +HETATM 50821 C C15 . CLA LB 23 . ? -17.944 -42.589 -18.937 1.00 70.35 ? 605 CLA B C15 1 +HETATM 50822 C C16 . CLA LB 23 . ? -19.213 -43.106 -18.254 1.00 64.54 ? 605 CLA B C16 1 +HETATM 50823 C C17 . CLA LB 23 . ? -20.406 -42.219 -18.574 1.00 67.95 ? 605 CLA B C17 1 +HETATM 50824 C C18 . CLA LB 23 . ? -21.742 -42.936 -18.425 1.00 60.31 ? 605 CLA B C18 1 +HETATM 50825 C C19 . CLA LB 23 . ? -21.851 -44.125 -19.353 1.00 57.61 ? 605 CLA B C19 1 +HETATM 50826 C C20 . CLA LB 23 . ? -22.893 -41.973 -18.685 1.00 69.17 ? 605 CLA B C20 1 +HETATM 50827 MG MG . CLA MB 23 . ? -24.869 -25.921 -19.333 1.00 56.85 ? 606 CLA B MG 1 +HETATM 50828 C CHA . CLA MB 23 . ? -25.005 -22.438 -19.647 1.00 55.65 ? 606 CLA B CHA 1 +HETATM 50829 C CHB . CLA MB 23 . ? -21.562 -25.726 -20.119 1.00 48.23 ? 606 CLA B CHB 1 +HETATM 50830 C CHC . CLA MB 23 . ? -24.537 -29.100 -18.073 1.00 51.56 ? 606 CLA B CHC 1 +HETATM 50831 C CHD . CLA MB 23 . ? -28.259 -25.785 -17.935 1.00 60.00 ? 606 CLA B CHD 1 +HETATM 50832 N NA . CLA MB 23 . ? -23.509 -24.373 -19.753 1.00 56.73 ? 606 CLA B NA 1 +HETATM 50833 C C1A . CLA MB 23 . ? -23.717 -23.116 -19.979 1.00 51.49 ? 606 CLA B C1A 1 +HETATM 50834 C C2A . CLA MB 23 . ? -22.570 -22.302 -20.527 1.00 54.84 ? 606 CLA B C2A 1 +HETATM 50835 C C3A . CLA MB 23 . ? -21.498 -23.366 -20.685 1.00 47.86 ? 606 CLA B C3A 1 +HETATM 50836 C C4A . CLA MB 23 . ? -22.241 -24.569 -20.163 1.00 51.59 ? 606 CLA B C4A 1 +HETATM 50837 C CMA . CLA MB 23 . ? -21.193 -23.481 -22.177 1.00 44.77 ? 606 CLA B CMA 1 +HETATM 50838 C CAA . CLA MB 23 . ? -22.024 -21.248 -19.544 1.00 46.01 ? 606 CLA B CAA 1 +HETATM 50839 C CBA . CLA MB 23 . ? -21.858 -21.781 -18.109 1.00 51.57 ? 606 CLA B CBA 1 +HETATM 50840 C CGA . CLA MB 23 . ? -20.404 -21.824 -17.649 1.00 48.26 ? 606 CLA B CGA 1 +HETATM 50841 O O1A . CLA MB 23 . ? -19.454 -21.611 -18.391 1.00 56.95 ? 606 CLA B O1A 1 +HETATM 50842 O O2A . CLA MB 23 . ? -20.072 -22.116 -16.285 1.00 52.16 ? 606 CLA B O2A 1 +HETATM 50843 N NB . CLA MB 23 . ? -23.301 -27.212 -19.140 1.00 51.09 ? 606 CLA B NB 1 +HETATM 50844 C C1B . CLA MB 23 . ? -22.045 -27.002 -19.556 1.00 58.79 ? 606 CLA B C1B 1 +HETATM 50845 C C2B . CLA MB 23 . ? -21.110 -28.124 -19.268 1.00 51.90 ? 606 CLA B C2B 1 +HETATM 50846 C C3B . CLA MB 23 . ? -21.998 -29.129 -18.651 1.00 46.74 ? 606 CLA B C3B 1 +HETATM 50847 C C4B . CLA MB 23 . ? -23.326 -28.456 -18.616 1.00 52.66 ? 606 CLA B C4B 1 +HETATM 50848 C CMB . CLA MB 23 . ? -19.642 -28.232 -19.560 1.00 52.27 ? 606 CLA B CMB 1 +HETATM 50849 C CAB . CLA MB 23 . ? -21.622 -30.491 -18.186 1.00 49.65 ? 606 CLA B CAB 1 +HETATM 50850 C CBB . CLA MB 23 . ? -22.031 -30.930 -17.022 1.00 83.93 ? 606 CLA B CBB 1 +HETATM 50851 N NC . CLA MB 23 . ? -26.136 -27.151 -18.256 1.00 63.05 ? 606 CLA B NC 1 +HETATM 50852 C C1C . CLA MB 23 . ? -25.810 -28.395 -17.812 1.00 60.54 ? 606 CLA B C1C 1 +HETATM 50853 C C2C . CLA MB 23 . ? -26.868 -29.058 -16.985 1.00 58.67 ? 606 CLA B C2C 1 +HETATM 50854 C C3C . CLA MB 23 . ? -27.949 -28.058 -16.963 1.00 53.67 ? 606 CLA B C3C 1 +HETATM 50855 C C4C . CLA MB 23 . ? -27.382 -26.947 -17.763 1.00 49.25 ? 606 CLA B C4C 1 +HETATM 50856 C CMC . CLA MB 23 . ? -26.869 -30.400 -16.305 1.00 55.60 ? 606 CLA B CMC 1 +HETATM 50857 C CAC . CLA MB 23 . ? -29.293 -28.114 -16.285 1.00 62.37 ? 606 CLA B CAC 1 +HETATM 50858 C CBC . CLA MB 23 . ? -29.105 -27.486 -14.917 1.00 53.90 ? 606 CLA B CBC 1 +HETATM 50859 N ND . CLA MB 23 . ? -26.315 -24.555 -18.864 1.00 57.43 ? 606 CLA B ND 1 +HETATM 50860 C C1D . CLA MB 23 . ? -27.652 -24.524 -18.349 1.00 63.04 ? 606 CLA B C1D 1 +HETATM 50861 C C2D . CLA MB 23 . ? -28.313 -23.201 -18.285 1.00 62.02 ? 606 CLA B C2D 1 +HETATM 50862 C C3D . CLA MB 23 . ? -27.197 -22.375 -18.812 1.00 63.76 ? 606 CLA B C3D 1 +HETATM 50863 C C4D . CLA MB 23 . ? -26.129 -23.209 -19.093 1.00 56.31 ? 606 CLA B C4D 1 +HETATM 50864 C CMD . CLA MB 23 . ? -29.647 -22.650 -17.862 1.00 54.82 ? 606 CLA B CMD 1 +HETATM 50865 C CAD . CLA MB 23 . ? -26.789 -20.990 -19.140 1.00 59.75 ? 606 CLA B CAD 1 +HETATM 50866 O OBD . CLA MB 23 . ? -27.551 -19.977 -18.993 1.00 60.77 ? 606 CLA B OBD 1 +HETATM 50867 C CBD . CLA MB 23 . ? -25.401 -20.993 -19.655 1.00 59.99 ? 606 CLA B CBD 1 +HETATM 50868 C CGD . CLA MB 23 . ? -25.376 -20.354 -21.014 1.00 51.96 ? 606 CLA B CGD 1 +HETATM 50869 O O1D . CLA MB 23 . ? -26.174 -20.633 -21.881 1.00 66.86 ? 606 CLA B O1D 1 +HETATM 50870 O O2D . CLA MB 23 . ? -24.398 -19.358 -21.360 1.00 62.54 ? 606 CLA B O2D 1 +HETATM 50871 C CED . CLA MB 23 . ? -24.415 -18.878 -22.706 1.00 73.60 ? 606 CLA B CED 1 +HETATM 50872 C C1 . CLA MB 23 . ? -18.737 -22.453 -15.931 1.00 51.49 ? 606 CLA B C1 1 +HETATM 50873 C C2 . CLA MB 23 . ? -18.728 -22.581 -14.429 1.00 44.85 ? 606 CLA B C2 1 +HETATM 50874 C C3 . CLA MB 23 . ? -17.605 -22.732 -13.705 1.00 61.01 ? 606 CLA B C3 1 +HETATM 50875 C C4 . CLA MB 23 . ? -16.245 -22.830 -14.339 1.00 48.99 ? 606 CLA B C4 1 +HETATM 50876 C C5 . CLA MB 23 . ? -17.736 -22.838 -12.205 1.00 54.08 ? 606 CLA B C5 1 +HETATM 50877 C C6 . CLA MB 23 . ? -17.624 -21.520 -11.446 1.00 56.09 ? 606 CLA B C6 1 +HETATM 50878 C C7 . CLA MB 23 . ? -17.842 -21.841 -9.965 1.00 63.30 ? 606 CLA B C7 1 +HETATM 50879 C C8 . CLA MB 23 . ? -17.685 -20.630 -9.056 1.00 68.41 ? 606 CLA B C8 1 +HETATM 50880 C C9 . CLA MB 23 . ? -16.382 -19.921 -9.356 1.00 72.77 ? 606 CLA B C9 1 +HETATM 50881 C C10 . CLA MB 23 . ? -17.716 -21.031 -7.581 1.00 75.74 ? 606 CLA B C10 1 +HETATM 50882 C C11 . CLA MB 23 . ? -19.090 -20.723 -6.991 1.00 98.98 ? 606 CLA B C11 1 +HETATM 50883 C C12 . CLA MB 23 . ? -19.039 -20.274 -5.530 1.00 98.34 ? 606 CLA B C12 1 +HETATM 50884 C C13 . CLA MB 23 . ? -19.956 -21.147 -4.674 1.00 124.89 ? 606 CLA B C13 1 +HETATM 50885 C C14 . CLA MB 23 . ? -21.410 -21.046 -5.135 1.00 103.01 ? 606 CLA B C14 1 +HETATM 50886 C C15 . CLA MB 23 . ? -19.808 -20.767 -3.202 1.00 130.83 ? 606 CLA B C15 1 +HETATM 50887 C C16 . CLA MB 23 . ? -18.385 -20.942 -2.672 1.00 114.94 ? 606 CLA B C16 1 +HETATM 50888 C C17 . CLA MB 23 . ? -18.185 -20.134 -1.394 1.00 124.56 ? 606 CLA B C17 1 +HETATM 50889 C C18 . CLA MB 23 . ? -17.175 -20.816 -0.478 1.00 119.51 ? 606 CLA B C18 1 +HETATM 50890 C C19 . CLA MB 23 . ? -17.401 -20.454 0.986 1.00 103.88 ? 606 CLA B C19 1 +HETATM 50891 C C20 . CLA MB 23 . ? -15.760 -20.462 -0.910 1.00 96.38 ? 606 CLA B C20 1 +HETATM 50892 MG MG . CLA NB 23 . ? -2.354 -23.005 -28.097 1.00 45.47 ? 607 CLA B MG 1 +HETATM 50893 C CHA . CLA NB 23 . ? -1.605 -20.440 -30.366 1.00 45.14 ? 607 CLA B CHA 1 +HETATM 50894 C CHB . CLA NB 23 . ? -3.499 -24.840 -30.707 1.00 50.23 ? 607 CLA B CHB 1 +HETATM 50895 C CHC . CLA NB 23 . ? -2.388 -25.685 -25.978 1.00 46.70 ? 607 CLA B CHC 1 +HETATM 50896 C CHD . CLA NB 23 . ? -0.622 -21.083 -25.542 1.00 43.59 ? 607 CLA B CHD 1 +HETATM 50897 N NA . CLA NB 23 . ? -2.490 -22.724 -30.171 1.00 51.31 ? 607 CLA B NA 1 +HETATM 50898 C C1A . CLA NB 23 . ? -2.280 -21.675 -30.888 1.00 43.65 ? 607 CLA B C1A 1 +HETATM 50899 C C2A . CLA NB 23 . ? -2.650 -21.743 -32.347 1.00 51.02 ? 607 CLA B C2A 1 +HETATM 50900 C C3A . CLA NB 23 . ? -3.307 -23.103 -32.436 1.00 49.36 ? 607 CLA B C3A 1 +HETATM 50901 C C4A . CLA NB 23 . ? -3.107 -23.579 -31.006 1.00 49.06 ? 607 CLA B C4A 1 +HETATM 50902 C CMA . CLA NB 23 . ? -4.780 -22.873 -32.765 1.00 41.90 ? 607 CLA B CMA 1 +HETATM 50903 C CAA . CLA NB 23 . ? -1.333 -21.886 -33.150 1.00 42.60 ? 607 CLA B CAA 1 +HETATM 50904 C CBA . CLA NB 23 . ? -0.496 -23.094 -32.664 1.00 46.46 ? 607 CLA B CBA 1 +HETATM 50905 C CGA . CLA NB 23 . ? 0.960 -23.203 -33.082 1.00 50.42 ? 607 CLA B CGA 1 +HETATM 50906 O O1A . CLA NB 23 . ? 1.538 -22.440 -33.821 1.00 52.20 ? 607 CLA B O1A 1 +HETATM 50907 O O2A . CLA NB 23 . ? 1.756 -24.271 -32.561 1.00 51.72 ? 607 CLA B O2A 1 +HETATM 50908 N NB . CLA NB 23 . ? -2.918 -24.952 -28.312 1.00 47.48 ? 607 CLA B NB 1 +HETATM 50909 C C1B . CLA NB 23 . ? -3.328 -25.544 -29.419 1.00 44.81 ? 607 CLA B C1B 1 +HETATM 50910 C C2B . CLA NB 23 . ? -3.464 -27.028 -29.297 1.00 46.86 ? 607 CLA B C2B 1 +HETATM 50911 C C3B . CLA NB 23 . ? -3.127 -27.261 -27.868 1.00 47.48 ? 607 CLA B C3B 1 +HETATM 50912 C C4B . CLA NB 23 . ? -2.802 -25.907 -27.379 1.00 46.48 ? 607 CLA B C4B 1 +HETATM 50913 C CMB . CLA NB 23 . ? -3.880 -28.007 -30.342 1.00 40.91 ? 607 CLA B CMB 1 +HETATM 50914 C CAB . CLA NB 23 . ? -3.064 -28.505 -27.050 1.00 51.04 ? 607 CLA B CAB 1 +HETATM 50915 C CBB . CLA NB 23 . ? -3.933 -29.499 -27.186 1.00 57.83 ? 607 CLA B CBB 1 +HETATM 50916 N NC . CLA NB 23 . ? -1.659 -23.305 -26.164 1.00 48.80 ? 607 CLA B NC 1 +HETATM 50917 C C1C . CLA NB 23 . ? -1.741 -24.466 -25.479 1.00 47.19 ? 607 CLA B C1C 1 +HETATM 50918 C C2C . CLA NB 23 . ? -1.111 -24.461 -24.124 1.00 45.87 ? 607 CLA B C2C 1 +HETATM 50919 C C3C . CLA NB 23 . ? -0.603 -23.088 -24.033 1.00 45.67 ? 607 CLA B C3C 1 +HETATM 50920 C C4C . CLA NB 23 . ? -0.994 -22.492 -25.331 1.00 48.48 ? 607 CLA B C4C 1 +HETATM 50921 C CMC . CLA NB 23 . ? -0.993 -25.564 -23.089 1.00 43.04 ? 607 CLA B CMC 1 +HETATM 50922 C CAC . CLA NB 23 . ? 0.163 -22.420 -22.919 1.00 48.33 ? 607 CLA B CAC 1 +HETATM 50923 C CBC . CLA NB 23 . ? 1.605 -22.609 -23.362 1.00 50.46 ? 607 CLA B CBC 1 +HETATM 50924 N ND . CLA NB 23 . ? -1.337 -21.261 -27.901 1.00 47.87 ? 607 CLA B ND 1 +HETATM 50925 C C1D . CLA NB 23 . ? -0.713 -20.508 -26.873 1.00 45.67 ? 607 CLA B C1D 1 +HETATM 50926 C C2D . CLA NB 23 . ? -0.197 -19.174 -27.242 1.00 45.22 ? 607 CLA B C2D 1 +HETATM 50927 C C3D . CLA NB 23 . ? -0.565 -19.171 -28.670 1.00 43.02 ? 607 CLA B C3D 1 +HETATM 50928 C C4D . CLA NB 23 . ? -1.187 -20.382 -28.949 1.00 44.06 ? 607 CLA B C4D 1 +HETATM 50929 C CMD . CLA NB 23 . ? 0.509 -18.064 -26.507 1.00 38.41 ? 607 CLA B CMD 1 +HETATM 50930 C CAD . CLA NB 23 . ? -0.528 -18.385 -29.937 1.00 41.59 ? 607 CLA B CAD 1 +HETATM 50931 O OBD . CLA NB 23 . ? -0.023 -17.210 -30.026 1.00 47.07 ? 607 CLA B OBD 1 +HETATM 50932 C CBD . CLA NB 23 . ? -1.173 -19.161 -31.030 1.00 41.97 ? 607 CLA B CBD 1 +HETATM 50933 C CGD . CLA NB 23 . ? -2.277 -18.327 -31.639 1.00 48.46 ? 607 CLA B CGD 1 +HETATM 50934 O O1D . CLA NB 23 . ? -2.454 -18.216 -32.837 1.00 46.91 ? 607 CLA B O1D 1 +HETATM 50935 O O2D . CLA NB 23 . ? -3.181 -17.606 -30.795 1.00 50.91 ? 607 CLA B O2D 1 +HETATM 50936 C CED . CLA NB 23 . ? -4.178 -16.756 -31.346 1.00 52.78 ? 607 CLA B CED 1 +HETATM 50937 C C1 . CLA NB 23 . ? 3.082 -24.475 -33.005 1.00 54.34 ? 607 CLA B C1 1 +HETATM 50938 C C2 . CLA NB 23 . ? 3.415 -25.849 -32.486 1.00 53.10 ? 607 CLA B C2 1 +HETATM 50939 C C3 . CLA NB 23 . ? 4.655 -26.355 -32.431 1.00 72.82 ? 607 CLA B C3 1 +HETATM 50940 C C4 . CLA NB 23 . ? 5.827 -25.555 -32.926 1.00 67.24 ? 607 CLA B C4 1 +HETATM 50941 C C5 . CLA NB 23 . ? 4.841 -27.754 -31.886 1.00 57.34 ? 607 CLA B C5 1 +HETATM 50942 C C6 . CLA NB 23 . ? 5.942 -27.856 -30.842 1.00 60.90 ? 607 CLA B C6 1 +HETATM 50943 C C7 . CLA NB 23 . ? 6.659 -29.202 -30.938 1.00 56.68 ? 607 CLA B C7 1 +HETATM 50944 C C8 . CLA NB 23 . ? 7.267 -29.565 -29.598 1.00 69.31 ? 607 CLA B C8 1 +HETATM 50945 C C9 . CLA NB 23 . ? 8.114 -28.443 -29.017 1.00 68.74 ? 607 CLA B C9 1 +HETATM 50946 C C10 . CLA NB 23 . ? 8.121 -30.806 -29.757 1.00 70.99 ? 607 CLA B C10 1 +HETATM 50947 C C11 . CLA NB 23 . ? 8.833 -31.104 -28.438 1.00 66.00 ? 607 CLA B C11 1 +HETATM 50948 C C12 . CLA NB 23 . ? 9.606 -32.416 -28.568 1.00 85.91 ? 607 CLA B C12 1 +HETATM 50949 C C13 . CLA NB 23 . ? 10.325 -32.826 -27.291 1.00 75.43 ? 607 CLA B C13 1 +HETATM 50950 C C14 . CLA NB 23 . ? 11.398 -31.811 -26.922 1.00 67.41 ? 607 CLA B C14 1 +HETATM 50951 C C15 . CLA NB 23 . ? 10.924 -34.189 -27.562 1.00 60.44 ? 607 CLA B C15 1 +HETATM 50952 C C16 . CLA NB 23 . ? 11.208 -34.993 -26.316 1.00 57.51 ? 607 CLA B C16 1 +HETATM 50953 C C17 . CLA NB 23 . ? 12.091 -36.169 -26.707 1.00 70.83 ? 607 CLA B C17 1 +HETATM 50954 C C18 . CLA NB 23 . ? 12.427 -37.007 -25.479 1.00 66.66 ? 607 CLA B C18 1 +HETATM 50955 C C19 . CLA NB 23 . ? 13.343 -38.154 -25.868 1.00 80.15 ? 607 CLA B C19 1 +HETATM 50956 C C20 . CLA NB 23 . ? 11.153 -37.520 -24.834 1.00 83.23 ? 607 CLA B C20 1 +HETATM 50957 MG MG . CLA OB 23 . ? -4.932 -53.224 -22.469 1.00 53.30 ? 608 CLA B MG 1 +HETATM 50958 C CHA . CLA OB 23 . ? -5.752 -54.366 -19.311 1.00 47.01 ? 608 CLA B CHA 1 +HETATM 50959 C CHB . CLA OB 23 . ? -2.276 -55.328 -22.408 1.00 46.91 ? 608 CLA B CHB 1 +HETATM 50960 C CHC . CLA OB 23 . ? -4.514 -52.578 -25.781 1.00 43.51 ? 608 CLA B CHC 1 +HETATM 50961 C CHD . CLA OB 23 . ? -8.231 -51.621 -22.660 1.00 46.95 ? 608 CLA B CHD 1 +HETATM 50962 N NA . CLA OB 23 . ? -4.189 -54.637 -21.134 1.00 50.69 ? 608 CLA B NA 1 +HETATM 50963 C C1A . CLA OB 23 . ? -4.534 -54.918 -19.933 1.00 40.86 ? 608 CLA B C1A 1 +HETATM 50964 C C2A . CLA OB 23 . ? -3.607 -55.789 -19.145 1.00 55.56 ? 608 CLA B C2A 1 +HETATM 50965 C C3A . CLA OB 23 . ? -2.488 -55.998 -20.141 1.00 50.50 ? 608 CLA B C3A 1 +HETATM 50966 C C4A . CLA OB 23 . ? -3.034 -55.285 -21.314 1.00 45.61 ? 608 CLA B C4A 1 +HETATM 50967 C CMA . CLA OB 23 . ? -1.348 -55.106 -19.642 1.00 48.63 ? 608 CLA B CMA 1 +HETATM 50968 C CAA . CLA OB 23 . ? -4.215 -57.193 -18.873 1.00 49.00 ? 608 CLA B CAA 1 +HETATM 50969 C CBA . CLA OB 23 . ? -4.500 -58.017 -20.141 1.00 49.28 ? 608 CLA B CBA 1 +HETATM 50970 C CGA . CLA OB 23 . ? -5.733 -57.559 -20.894 1.00 48.61 ? 608 CLA B CGA 1 +HETATM 50971 O O1A . CLA OB 23 . ? -6.765 -57.197 -20.365 1.00 59.83 ? 608 CLA B O1A 1 +HETATM 50972 O O2A . CLA OB 23 . ? -5.708 -57.504 -22.322 1.00 57.46 ? 608 CLA B O2A 1 +HETATM 50973 N NB . CLA OB 23 . ? -3.602 -53.860 -23.876 1.00 47.60 ? 608 CLA B NB 1 +HETATM 50974 C C1B . CLA OB 23 . ? -2.557 -54.674 -23.696 1.00 49.81 ? 608 CLA B C1B 1 +HETATM 50975 C C2B . CLA OB 23 . ? -1.715 -54.895 -24.909 1.00 49.93 ? 608 CLA B C2B 1 +HETATM 50976 C C3B . CLA OB 23 . ? -2.409 -54.034 -25.910 1.00 46.86 ? 608 CLA B C3B 1 +HETATM 50977 C C4B . CLA OB 23 . ? -3.549 -53.465 -25.151 1.00 43.03 ? 608 CLA B C4B 1 +HETATM 50978 C CMB . CLA OB 23 . ? -0.483 -55.746 -25.043 1.00 48.98 ? 608 CLA B CMB 1 +HETATM 50979 C CAB . CLA OB 23 . ? -2.123 -53.754 -27.348 1.00 52.54 ? 608 CLA B CAB 1 +HETATM 50980 C CBB . CLA OB 23 . ? -0.933 -54.009 -27.868 1.00 48.61 ? 608 CLA B CBB 1 +HETATM 50981 N NC . CLA OB 23 . ? -6.132 -52.318 -23.898 1.00 50.43 ? 608 CLA B NC 1 +HETATM 50982 C C1C . CLA OB 23 . ? -5.761 -52.132 -25.169 1.00 43.46 ? 608 CLA B C1C 1 +HETATM 50983 C C2C . CLA OB 23 . ? -6.723 -51.376 -26.004 1.00 47.25 ? 608 CLA B C2C 1 +HETATM 50984 C C3C . CLA OB 23 . ? -7.827 -51.085 -25.078 1.00 47.42 ? 608 CLA B C3C 1 +HETATM 50985 C C4C . CLA OB 23 . ? -7.344 -51.720 -23.825 1.00 47.92 ? 608 CLA B C4C 1 +HETATM 50986 C CMC . CLA OB 23 . ? -6.622 -50.990 -27.451 1.00 52.68 ? 608 CLA B CMC 1 +HETATM 50987 C CAC . CLA OB 23 . ? -9.121 -50.362 -25.353 1.00 50.32 ? 608 CLA B CAC 1 +HETATM 50988 C CBC . CLA OB 23 . ? -8.849 -48.912 -25.025 1.00 57.82 ? 608 CLA B CBC 1 +HETATM 50989 N ND . CLA OB 23 . ? -6.645 -53.085 -21.395 1.00 46.72 ? 608 CLA B ND 1 +HETATM 50990 C C1D . CLA OB 23 . ? -7.830 -52.288 -21.419 1.00 47.27 ? 608 CLA B C1D 1 +HETATM 50991 C C2D . CLA OB 23 . ? -8.578 -52.195 -20.148 1.00 45.25 ? 608 CLA B C2D 1 +HETATM 50992 C C3D . CLA OB 23 . ? -7.702 -53.042 -19.290 1.00 46.48 ? 608 CLA B C3D 1 +HETATM 50993 C C4D . CLA OB 23 . ? -6.671 -53.514 -20.084 1.00 41.78 ? 608 CLA B C4D 1 +HETATM 50994 C CMD . CLA OB 23 . ? -9.828 -51.470 -19.733 1.00 48.69 ? 608 CLA B CMD 1 +HETATM 50995 C CAD . CLA OB 23 . ? -7.497 -53.618 -17.929 1.00 48.93 ? 608 CLA B CAD 1 +HETATM 50996 O OBD . CLA OB 23 . ? -8.267 -53.410 -16.935 1.00 54.50 ? 608 CLA B OBD 1 +HETATM 50997 C CBD . CLA OB 23 . ? -6.275 -54.472 -17.920 1.00 51.46 ? 608 CLA B CBD 1 +HETATM 50998 C CGD . CLA OB 23 . ? -5.300 -54.048 -16.870 1.00 51.75 ? 608 CLA B CGD 1 +HETATM 50999 O O1D . CLA OB 23 . ? -4.637 -53.028 -16.943 1.00 62.70 ? 608 CLA B O1D 1 +HETATM 51000 O O2D . CLA OB 23 . ? -5.106 -54.853 -15.710 1.00 57.48 ? 608 CLA B O2D 1 +HETATM 51001 C CED . CLA OB 23 . ? -4.193 -54.317 -14.750 1.00 62.08 ? 608 CLA B CED 1 +HETATM 51002 C C1 . CLA OB 23 . ? -6.823 -56.932 -23.003 1.00 67.90 ? 608 CLA B C1 1 +HETATM 51003 C C2 . CLA OB 23 . ? -7.155 -57.777 -24.208 1.00 62.31 ? 608 CLA B C2 1 +HETATM 51004 C C3 . CLA OB 23 . ? -6.837 -57.354 -25.442 1.00 66.46 ? 608 CLA B C3 1 +HETATM 51005 C C4 . CLA OB 23 . ? -6.162 -56.024 -25.670 1.00 64.40 ? 608 CLA B C4 1 +HETATM 51006 C C5 . CLA OB 23 . ? -7.184 -58.198 -26.625 1.00 56.87 ? 608 CLA B C5 1 +HETATM 51007 C C6 . CLA OB 23 . ? -8.449 -57.674 -27.299 1.00 65.44 ? 608 CLA B C6 1 +HETATM 51008 C C7 . CLA OB 23 . ? -8.752 -58.461 -28.574 1.00 58.47 ? 608 CLA B C7 1 +HETATM 51009 C C8 . CLA OB 23 . ? -10.001 -57.898 -29.240 1.00 66.29 ? 608 CLA B C8 1 +HETATM 51010 C C9 . CLA OB 23 . ? -11.237 -58.001 -28.349 1.00 56.63 ? 608 CLA B C9 1 +HETATM 51011 C C10 . CLA OB 23 . ? -10.239 -58.615 -30.567 1.00 67.65 ? 608 CLA B C10 1 +HETATM 51012 C C11 . CLA OB 23 . ? -11.418 -57.958 -31.279 1.00 70.02 ? 608 CLA B C11 1 +HETATM 51013 C C12 . CLA OB 23 . ? -11.461 -58.243 -32.768 1.00 62.57 ? 608 CLA B C12 1 +HETATM 51014 C C13 . CLA OB 23 . ? -12.550 -57.360 -33.370 1.00 76.65 ? 608 CLA B C13 1 +HETATM 51015 C C14 . CLA OB 23 . ? -13.932 -57.911 -33.045 1.00 83.76 ? 608 CLA B C14 1 +HETATM 51016 C C15 . CLA OB 23 . ? -12.370 -57.218 -34.874 1.00 69.93 ? 608 CLA B C15 1 +HETATM 51017 C C16 . CLA OB 23 . ? -13.086 -55.974 -35.391 1.00 69.01 ? 608 CLA B C16 1 +HETATM 51018 C C17 . CLA OB 23 . ? -12.248 -55.250 -36.438 1.00 70.29 ? 608 CLA B C17 1 +HETATM 51019 C C18 . CLA OB 23 . ? -12.990 -54.056 -37.046 1.00 69.60 ? 608 CLA B C18 1 +HETATM 51020 C C19 . CLA OB 23 . ? -13.683 -54.485 -38.326 1.00 68.85 ? 608 CLA B C19 1 +HETATM 51021 C C20 . CLA OB 23 . ? -12.056 -52.885 -37.333 1.00 63.64 ? 608 CLA B C20 1 +HETATM 51022 MG MG . CLA PB 23 . ? -19.550 -52.626 -15.044 1.00 55.22 ? 609 CLA B MG 1 +HETATM 51023 C CHA . CLA PB 23 . ? -18.201 -55.473 -13.579 1.00 61.62 ? 609 CLA B CHA 1 +HETATM 51024 C CHB . CLA PB 23 . ? -16.441 -51.307 -15.056 1.00 54.33 ? 609 CLA B CHB 1 +HETATM 51025 C CHC . CLA PB 23 . ? -20.739 -50.183 -17.177 1.00 47.52 ? 609 CLA B CHC 1 +HETATM 51026 C CHD . CLA PB 23 . ? -22.651 -54.516 -15.584 1.00 72.33 ? 609 CLA B CHD 1 +HETATM 51027 N NA . CLA PB 23 . ? -17.653 -53.274 -14.470 1.00 58.24 ? 609 CLA B NA 1 +HETATM 51028 C C1A . CLA PB 23 . ? -17.294 -54.302 -13.788 1.00 61.83 ? 609 CLA B C1A 1 +HETATM 51029 C C2A . CLA PB 23 . ? -15.888 -54.323 -13.221 1.00 60.96 ? 609 CLA B C2A 1 +HETATM 51030 C C3A . CLA PB 23 . ? -15.368 -52.973 -13.683 1.00 59.18 ? 609 CLA B C3A 1 +HETATM 51031 C C4A . CLA PB 23 . ? -16.572 -52.489 -14.445 1.00 53.29 ? 609 CLA B C4A 1 +HETATM 51032 C CMA . CLA PB 23 . ? -15.144 -52.051 -12.486 1.00 48.76 ? 609 CLA B CMA 1 +HETATM 51033 C CAA . CLA PB 23 . ? -15.010 -55.415 -13.872 1.00 53.20 ? 609 CLA B CAA 1 +HETATM 51034 C CBA . CLA PB 23 . ? -14.821 -55.208 -15.369 1.00 50.45 ? 609 CLA B CBA 1 +HETATM 51035 C CGA . CLA PB 23 . ? -14.011 -56.302 -16.047 1.00 53.00 ? 609 CLA B CGA 1 +HETATM 51036 O O1A . CLA PB 23 . ? -13.633 -57.295 -15.455 1.00 62.13 ? 609 CLA B O1A 1 +HETATM 51037 O O2A . CLA PB 23 . ? -13.691 -56.216 -17.462 1.00 60.40 ? 609 CLA B O2A 1 +HETATM 51038 N NB . CLA PB 23 . ? -18.711 -50.989 -15.972 1.00 61.11 ? 609 CLA B NB 1 +HETATM 51039 C C1B . CLA PB 23 . ? -17.440 -50.603 -15.875 1.00 53.21 ? 609 CLA B C1B 1 +HETATM 51040 C C2B . CLA PB 23 . ? -17.081 -49.417 -16.694 1.00 69.53 ? 609 CLA B C2B 1 +HETATM 51041 C C3B . CLA PB 23 . ? -18.361 -49.066 -17.336 1.00 54.27 ? 609 CLA B C3B 1 +HETATM 51042 C C4B . CLA PB 23 . ? -19.307 -50.111 -16.817 1.00 54.36 ? 609 CLA B C4B 1 +HETATM 51043 C CMB . CLA PB 23 . ? -15.769 -48.719 -16.844 1.00 50.19 ? 609 CLA B CMB 1 +HETATM 51044 C CAB . CLA PB 23 . ? -18.561 -47.924 -18.268 1.00 55.18 ? 609 CLA B CAB 1 +HETATM 51045 C CBB . CLA PB 23 . ? -19.727 -47.335 -18.409 1.00 65.96 ? 609 CLA B CBB 1 +HETATM 51046 N NC . CLA PB 23 . ? -21.308 -52.416 -16.127 1.00 60.69 ? 609 CLA B NC 1 +HETATM 51047 C C1C . CLA PB 23 . ? -21.612 -51.352 -16.916 1.00 61.14 ? 609 CLA B C1C 1 +HETATM 51048 C C2C . CLA PB 23 . ? -22.967 -51.411 -17.546 1.00 58.36 ? 609 CLA B C2C 1 +HETATM 51049 C C3C . CLA PB 23 . ? -23.505 -52.695 -17.064 1.00 67.48 ? 609 CLA B C3C 1 +HETATM 51050 C C4C . CLA PB 23 . ? -22.406 -53.208 -16.214 1.00 61.47 ? 609 CLA B C4C 1 +HETATM 51051 C CMC . CLA PB 23 . ? -23.645 -50.433 -18.466 1.00 55.87 ? 609 CLA B CMC 1 +HETATM 51052 C CAC . CLA PB 23 . ? -24.837 -53.342 -17.340 1.00 61.27 ? 609 CLA B CAC 1 +HETATM 51053 C CBC . CLA PB 23 . ? -25.705 -52.933 -16.168 1.00 60.22 ? 609 CLA B CBC 1 +HETATM 51054 N ND . CLA PB 23 . ? -20.305 -54.507 -14.766 1.00 63.94 ? 609 CLA B ND 1 +HETATM 51055 C C1D . CLA PB 23 . ? -21.546 -55.199 -14.907 1.00 58.93 ? 609 CLA B C1D 1 +HETATM 51056 C C2D . CLA PB 23 . ? -21.608 -56.566 -14.336 1.00 73.74 ? 609 CLA B C2D 1 +HETATM 51057 C C3D . CLA PB 23 . ? -20.219 -56.662 -13.795 1.00 70.54 ? 609 CLA B C3D 1 +HETATM 51058 C C4D . CLA PB 23 . ? -19.574 -55.477 -14.106 1.00 62.48 ? 609 CLA B C4D 1 +HETATM 51059 C CMD . CLA PB 23 . ? -22.649 -57.652 -14.250 1.00 65.12 ? 609 CLA B CMD 1 +HETATM 51060 C CAD . CLA PB 23 . ? -19.234 -57.522 -13.092 1.00 60.68 ? 609 CLA B CAD 1 +HETATM 51061 O OBD . CLA PB 23 . ? -19.475 -58.699 -12.659 1.00 66.56 ? 609 CLA B OBD 1 +HETATM 51062 C CBD . CLA PB 23 . ? -17.957 -56.779 -12.911 1.00 58.70 ? 609 CLA B CBD 1 +HETATM 51063 C CGD . CLA PB 23 . ? -17.907 -56.412 -11.461 1.00 57.41 ? 609 CLA B CGD 1 +HETATM 51064 O O1D . CLA PB 23 . ? -16.900 -56.522 -10.783 1.00 57.24 ? 609 CLA B O1D 1 +HETATM 51065 O O2D . CLA PB 23 . ? -19.106 -55.887 -10.849 1.00 60.33 ? 609 CLA B O2D 1 +HETATM 51066 C CED . CLA PB 23 . ? -19.057 -55.474 -9.487 1.00 56.41 ? 609 CLA B CED 1 +HETATM 51067 C C1 . CLA PB 23 . ? -12.813 -57.181 -18.050 1.00 58.22 ? 609 CLA B C1 1 +HETATM 51068 C C2 . CLA PB 23 . ? -12.127 -56.570 -19.254 1.00 55.90 ? 609 CLA B C2 1 +HETATM 51069 C C3 . CLA PB 23 . ? -10.811 -56.273 -19.283 1.00 59.30 ? 609 CLA B C3 1 +HETATM 51070 C C4 . CLA PB 23 . ? -9.919 -56.514 -18.106 1.00 56.18 ? 609 CLA B C4 1 +HETATM 51071 C C5 . CLA PB 23 . ? -10.171 -55.653 -20.506 1.00 59.40 ? 609 CLA B C5 1 +HETATM 51072 C C6 . CLA PB 23 . ? -11.017 -55.637 -21.770 1.00 56.41 ? 609 CLA B C6 1 +HETATM 51073 C C7 . CLA PB 23 . ? -10.147 -55.118 -22.911 1.00 64.03 ? 609 CLA B C7 1 +HETATM 51074 C C8 . CLA PB 23 . ? -10.931 -54.858 -24.185 1.00 65.65 ? 609 CLA B C8 1 +HETATM 51075 C C9 . CLA PB 23 . ? -11.637 -56.133 -24.615 1.00 58.99 ? 609 CLA B C9 1 +HETATM 51076 C C10 . CLA PB 23 . ? -9.936 -54.379 -25.237 1.00 70.68 ? 609 CLA B C10 1 +HETATM 51077 C C11 . CLA PB 23 . ? -10.551 -53.989 -26.578 1.00 64.25 ? 609 CLA B C11 1 +HETATM 51078 C C12 . CLA PB 23 . ? -9.399 -53.798 -27.558 1.00 59.21 ? 609 CLA B C12 1 +HETATM 51079 C C13 . CLA PB 23 . ? -9.844 -53.841 -29.014 1.00 62.02 ? 609 CLA B C13 1 +HETATM 51080 C C14 . CLA PB 23 . ? -8.667 -53.630 -29.961 1.00 58.89 ? 609 CLA B C14 1 +HETATM 51081 C C15 . CLA PB 23 . ? -10.916 -52.792 -29.249 1.00 58.72 ? 609 CLA B C15 1 +HETATM 51082 C C16 . CLA PB 23 . ? -11.526 -53.011 -30.619 1.00 71.77 ? 609 CLA B C16 1 +HETATM 51083 C C17 . CLA PB 23 . ? -12.873 -52.322 -30.737 1.00 68.11 ? 609 CLA B C17 1 +HETATM 51084 C C18 . CLA PB 23 . ? -13.504 -52.754 -32.052 1.00 77.60 ? 609 CLA B C18 1 +HETATM 51085 C C19 . CLA PB 23 . ? -12.693 -52.208 -33.219 1.00 83.61 ? 609 CLA B C19 1 +HETATM 51086 C C20 . CLA PB 23 . ? -14.948 -52.286 -32.142 1.00 82.37 ? 609 CLA B C20 1 +HETATM 51087 MG MG . CLA QB 23 . ? -12.264 -47.773 -13.991 1.00 55.70 ? 610 CLA B MG 1 +HETATM 51088 C CHA . CLA QB 23 . ? -13.077 -44.458 -13.328 1.00 47.43 ? 610 CLA B CHA 1 +HETATM 51089 C CHB . CLA QB 23 . ? -12.792 -47.142 -17.268 1.00 50.11 ? 610 CLA B CHB 1 +HETATM 51090 C CHC . CLA QB 23 . ? -11.886 -51.095 -14.515 1.00 53.98 ? 610 CLA B CHC 1 +HETATM 51091 C CHD . CLA QB 23 . ? -12.280 -48.378 -10.352 1.00 54.55 ? 610 CLA B CHD 1 +HETATM 51092 N NA . CLA QB 23 . ? -12.863 -46.122 -15.095 1.00 62.33 ? 610 CLA B NA 1 +HETATM 51093 C C1A . CLA QB 23 . ? -13.016 -44.891 -14.746 1.00 55.95 ? 610 CLA B C1A 1 +HETATM 51094 C C2A . CLA QB 23 . ? -13.198 -43.886 -15.836 1.00 57.14 ? 610 CLA B C2A 1 +HETATM 51095 C C3A . CLA QB 23 . ? -13.190 -44.773 -17.050 1.00 55.95 ? 610 CLA B C3A 1 +HETATM 51096 C C4A . CLA QB 23 . ? -12.924 -46.104 -16.431 1.00 49.69 ? 610 CLA B C4A 1 +HETATM 51097 C CMA . CLA QB 23 . ? -14.636 -44.785 -17.514 1.00 52.59 ? 610 CLA B CMA 1 +HETATM 51098 C CAA . CLA QB 23 . ? -11.916 -43.081 -16.034 1.00 57.57 ? 610 CLA B CAA 1 +HETATM 51099 C CBA . CLA QB 23 . ? -12.068 -42.109 -17.215 1.00 53.75 ? 610 CLA B CBA 1 +HETATM 51100 C CGA . CLA QB 23 . ? -12.324 -40.778 -16.566 1.00 56.90 ? 610 CLA B CGA 1 +HETATM 51101 O O1A . CLA QB 23 . ? -11.937 -40.587 -15.439 1.00 84.32 ? 610 CLA B O1A 1 +HETATM 51102 O O2A . CLA QB 23 . ? -13.036 -39.683 -17.146 1.00 72.31 ? 610 CLA B O2A 1 +HETATM 51103 N NB . CLA QB 23 . ? -12.318 -48.950 -15.662 1.00 51.35 ? 610 CLA B NB 1 +HETATM 51104 C C1B . CLA QB 23 . ? -12.572 -48.561 -16.907 1.00 52.29 ? 610 CLA B C1B 1 +HETATM 51105 C C2B . CLA QB 23 . ? -12.659 -49.669 -17.896 1.00 53.73 ? 610 CLA B C2B 1 +HETATM 51106 C C3B . CLA QB 23 . ? -12.394 -50.853 -17.068 1.00 54.74 ? 610 CLA B C3B 1 +HETATM 51107 C C4B . CLA QB 23 . ? -12.190 -50.282 -15.702 1.00 53.51 ? 610 CLA B C4B 1 +HETATM 51108 C CMB . CLA QB 23 . ? -12.940 -49.650 -19.370 1.00 50.68 ? 610 CLA B CMB 1 +HETATM 51109 C CAB . CLA QB 23 . ? -12.356 -52.259 -17.554 1.00 55.45 ? 610 CLA B CAB 1 +HETATM 51110 C CBB . CLA QB 23 . ? -11.366 -53.082 -17.277 1.00 57.33 ? 610 CLA B CBB 1 +HETATM 51111 N NC . CLA QB 23 . ? -12.132 -49.373 -12.689 1.00 59.98 ? 610 CLA B NC 1 +HETATM 51112 C C1C . CLA QB 23 . ? -11.959 -50.645 -13.111 1.00 57.29 ? 610 CLA B C1C 1 +HETATM 51113 C C2C . CLA QB 23 . ? -11.845 -51.655 -12.025 1.00 68.50 ? 610 CLA B C2C 1 +HETATM 51114 C C3C . CLA QB 23 . ? -11.975 -50.830 -10.792 1.00 63.78 ? 610 CLA B C3C 1 +HETATM 51115 C C4C . CLA QB 23 . ? -12.138 -49.459 -11.344 1.00 48.59 ? 610 CLA B C4C 1 +HETATM 51116 C CMC . CLA QB 23 . ? -11.662 -53.152 -12.151 1.00 58.51 ? 610 CLA B CMC 1 +HETATM 51117 C CAC . CLA QB 23 . ? -11.984 -51.243 -9.331 1.00 48.25 ? 610 CLA B CAC 1 +HETATM 51118 C CBC . CLA QB 23 . ? -10.563 -51.470 -8.901 1.00 64.27 ? 610 CLA B CBC 1 +HETATM 51119 N ND . CLA QB 23 . ? -12.599 -46.781 -12.252 1.00 52.54 ? 610 CLA B ND 1 +HETATM 51120 C C1D . CLA QB 23 . ? -12.560 -47.032 -10.835 1.00 53.23 ? 610 CLA B C1D 1 +HETATM 51121 C C2D . CLA QB 23 . ? -12.819 -45.874 -9.959 1.00 49.70 ? 610 CLA B C2D 1 +HETATM 51122 C C3D . CLA QB 23 . ? -13.038 -44.838 -11.007 1.00 42.39 ? 610 CLA B C3D 1 +HETATM 51123 C C4D . CLA QB 23 . ? -12.880 -45.435 -12.244 1.00 49.16 ? 610 CLA B C4D 1 +HETATM 51124 C CMD . CLA QB 23 . ? -12.873 -45.640 -8.466 1.00 50.85 ? 610 CLA B CMD 1 +HETATM 51125 C CAD . CLA QB 23 . ? -13.343 -43.394 -11.246 1.00 43.73 ? 610 CLA B CAD 1 +HETATM 51126 O OBD . CLA QB 23 . ? -13.534 -42.527 -10.309 1.00 49.70 ? 610 CLA B OBD 1 +HETATM 51127 C CBD . CLA QB 23 . ? -13.389 -43.144 -12.713 1.00 48.78 ? 610 CLA B CBD 1 +HETATM 51128 C CGD . CLA QB 23 . ? -14.769 -42.694 -13.072 1.00 56.50 ? 610 CLA B CGD 1 +HETATM 51129 O O1D . CLA QB 23 . ? -14.990 -41.529 -13.313 1.00 63.61 ? 610 CLA B O1D 1 +HETATM 51130 O O2D . CLA QB 23 . ? -15.889 -43.595 -13.157 1.00 60.94 ? 610 CLA B O2D 1 +HETATM 51131 C CED . CLA QB 23 . ? -17.148 -43.026 -13.495 1.00 59.47 ? 610 CLA B CED 1 +HETATM 51132 C C1 . CLA QB 23 . ? -13.235 -38.543 -16.291 1.00 51.88 ? 610 CLA B C1 1 +HETATM 51133 C C2 . CLA QB 23 . ? -14.656 -38.494 -15.786 1.00 54.11 ? 610 CLA B C2 1 +HETATM 51134 C C3 . CLA QB 23 . ? -15.474 -37.455 -16.019 1.00 56.51 ? 610 CLA B C3 1 +HETATM 51135 C C4 . CLA QB 23 . ? -15.012 -36.251 -16.794 1.00 63.71 ? 610 CLA B C4 1 +HETATM 51136 C C5 . CLA QB 23 . ? -16.886 -37.481 -15.483 1.00 53.20 ? 610 CLA B C5 1 +HETATM 51137 C C6 . CLA QB 23 . ? -17.134 -36.469 -14.387 1.00 55.60 ? 610 CLA B C6 1 +HETATM 51138 C C7 . CLA QB 23 . ? -16.205 -36.718 -13.208 1.00 60.84 ? 610 CLA B C7 1 +HETATM 51139 C C8 . CLA QB 23 . ? -16.618 -37.968 -12.443 1.00 63.46 ? 610 CLA B C8 1 +HETATM 51140 C C9 . CLA QB 23 . ? -18.068 -37.830 -11.999 1.00 56.32 ? 610 CLA B C9 1 +HETATM 51141 C C10 . CLA QB 23 . ? -15.700 -38.103 -11.227 1.00 63.46 ? 610 CLA B C10 1 +HETATM 51142 C C11 . CLA QB 23 . ? -14.237 -38.297 -11.625 1.00 50.03 ? 610 CLA B C11 1 +HETATM 51143 C C12 . CLA QB 23 . ? -13.489 -39.081 -10.550 1.00 57.58 ? 610 CLA B C12 1 +HETATM 51144 C C13 . CLA QB 23 . ? -11.976 -39.039 -10.748 1.00 52.69 ? 610 CLA B C13 1 +HETATM 51145 C C14 . CLA QB 23 . ? -11.606 -39.214 -12.213 1.00 47.03 ? 610 CLA B C14 1 +HETATM 51146 C C15 . CLA QB 23 . ? -11.344 -40.122 -9.895 1.00 56.44 ? 610 CLA B C15 1 +HETATM 51147 C C16 . CLA QB 23 . ? -10.226 -39.636 -8.991 1.00 68.36 ? 610 CLA B C16 1 +HETATM 51148 C C17 . CLA QB 23 . ? -9.141 -40.681 -8.727 1.00 59.05 ? 610 CLA B C17 1 +HETATM 51149 C C18 . CLA QB 23 . ? -9.627 -41.881 -7.938 1.00 61.46 ? 610 CLA B C18 1 +HETATM 51150 C C19 . CLA QB 23 . ? -8.572 -42.322 -6.931 1.00 69.68 ? 610 CLA B C19 1 +HETATM 51151 C C20 . CLA QB 23 . ? -9.921 -43.045 -8.858 1.00 65.07 ? 610 CLA B C20 1 +HETATM 51152 MG MG . CLA RB 23 . ? 2.630 -42.662 -15.137 1.00 46.76 ? 611 CLA B MG 1 +HETATM 51153 C CHA . CLA RB 23 . ? 5.518 -43.477 -13.263 1.00 45.93 ? 611 CLA B CHA 1 +HETATM 51154 C CHB . CLA RB 23 . ? 1.286 -41.422 -12.290 1.00 49.74 ? 611 CLA B CHB 1 +HETATM 51155 C CHC . CLA RB 23 . ? 0.263 -41.236 -17.006 1.00 43.30 ? 611 CLA B CHC 1 +HETATM 51156 C CHD . CLA RB 23 . ? 4.628 -43.413 -18.176 1.00 42.02 ? 611 CLA B CHD 1 +HETATM 51157 N NA . CLA RB 23 . ? 3.294 -42.422 -13.170 1.00 45.64 ? 611 CLA B NA 1 +HETATM 51158 C C1A . CLA RB 23 . ? 4.342 -42.892 -12.554 1.00 42.41 ? 611 CLA B C1A 1 +HETATM 51159 C C2A . CLA RB 23 . ? 4.405 -42.776 -11.061 1.00 45.38 ? 611 CLA B C2A 1 +HETATM 51160 C C3A . CLA RB 23 . ? 3.028 -42.171 -10.799 1.00 57.99 ? 611 CLA B C3A 1 +HETATM 51161 C C4A . CLA RB 23 . ? 2.500 -41.988 -12.201 1.00 47.95 ? 611 CLA B C4A 1 +HETATM 51162 C CMA . CLA RB 23 . ? 2.208 -43.269 -10.121 1.00 49.66 ? 611 CLA B CMA 1 +HETATM 51163 C CAA . CLA RB 23 . ? 5.496 -41.764 -10.593 1.00 42.49 ? 611 CLA B CAA 1 +HETATM 51164 C CBA . CLA RB 23 . ? 5.619 -40.549 -11.532 1.00 39.98 ? 611 CLA B CBA 1 +HETATM 51165 C CGA . CLA RB 23 . ? 6.624 -39.451 -11.156 1.00 51.31 ? 611 CLA B CGA 1 +HETATM 51166 O O1A . CLA RB 23 . ? 7.092 -39.294 -10.033 1.00 52.77 ? 611 CLA B O1A 1 +HETATM 51167 O O2A . CLA RB 23 . ? 7.052 -38.526 -12.186 1.00 51.46 ? 611 CLA B O2A 1 +HETATM 51168 N NB . CLA RB 23 . ? 0.973 -41.453 -14.647 1.00 43.57 ? 611 CLA B NB 1 +HETATM 51169 C C1B . CLA RB 23 . ? 0.423 -41.087 -13.446 1.00 43.67 ? 611 CLA B C1B 1 +HETATM 51170 C C2B . CLA RB 23 . ? -1.002 -40.390 -13.354 1.00 42.69 ? 611 CLA B C2B 1 +HETATM 51171 C C3B . CLA RB 23 . ? -1.142 -40.428 -14.893 1.00 45.20 ? 611 CLA B C3B 1 +HETATM 51172 C C4B . CLA RB 23 . ? 0.076 -41.067 -15.528 1.00 38.10 ? 611 CLA B C4B 1 +HETATM 51173 C CMB . CLA RB 23 . ? -2.020 -39.857 -12.159 1.00 56.40 ? 611 CLA B CMB 1 +HETATM 51174 C CAB . CLA RB 23 . ? -2.212 -39.960 -15.828 1.00 39.38 ? 611 CLA B CAB 1 +HETATM 51175 C CBB . CLA RB 23 . ? -3.485 -39.933 -15.480 1.00 53.34 ? 611 CLA B CBB 1 +HETATM 51176 N NC . CLA RB 23 . ? 2.494 -42.380 -17.183 1.00 46.30 ? 611 CLA B NC 1 +HETATM 51177 C C1C . CLA RB 23 . ? 1.439 -41.773 -17.768 1.00 43.79 ? 611 CLA B C1C 1 +HETATM 51178 C C2C . CLA RB 23 . ? 1.587 -41.687 -19.273 1.00 44.32 ? 611 CLA B C2C 1 +HETATM 51179 C C3C . CLA RB 23 . ? 2.887 -42.349 -19.557 1.00 42.53 ? 611 CLA B C3C 1 +HETATM 51180 C C4C . CLA RB 23 . ? 3.335 -42.715 -18.203 1.00 41.50 ? 611 CLA B C4C 1 +HETATM 51181 C CMC . CLA RB 23 . ? 0.700 -41.111 -20.349 1.00 41.07 ? 611 CLA B CMC 1 +HETATM 51182 C CAC . CLA RB 23 . ? 3.606 -42.596 -20.879 1.00 42.68 ? 611 CLA B CAC 1 +HETATM 51183 C CBC . CLA RB 23 . ? 4.551 -41.436 -21.124 1.00 51.70 ? 611 CLA B CBC 1 +HETATM 51184 N ND . CLA RB 23 . ? 4.523 -43.243 -15.664 1.00 45.74 ? 611 CLA B ND 1 +HETATM 51185 C C1D . CLA RB 23 . ? 5.250 -43.612 -16.867 1.00 42.70 ? 611 CLA B C1D 1 +HETATM 51186 C C2D . CLA RB 23 . ? 6.595 -44.212 -16.686 1.00 44.38 ? 611 CLA B C2D 1 +HETATM 51187 C C3D . CLA RB 23 . ? 6.660 -44.143 -15.198 1.00 43.24 ? 611 CLA B C3D 1 +HETATM 51188 C C4D . CLA RB 23 . ? 5.489 -43.574 -14.735 1.00 39.28 ? 611 CLA B C4D 1 +HETATM 51189 C CMD . CLA RB 23 . ? 7.672 -44.756 -17.583 1.00 44.28 ? 611 CLA B CMD 1 +HETATM 51190 C CAD . CLA RB 23 . ? 7.523 -44.420 -14.032 1.00 46.86 ? 611 CLA B CAD 1 +HETATM 51191 O OBD . CLA RB 23 . ? 8.688 -44.961 -14.122 1.00 50.44 ? 611 CLA B OBD 1 +HETATM 51192 C CBD . CLA RB 23 . ? 6.819 -44.014 -12.775 1.00 44.06 ? 611 CLA B CBD 1 +HETATM 51193 C CGD . CLA RB 23 . ? 6.659 -45.243 -11.912 1.00 48.08 ? 611 CLA B CGD 1 +HETATM 51194 O O1D . CLA RB 23 . ? 6.026 -46.207 -12.298 1.00 50.45 ? 611 CLA B O1D 1 +HETATM 51195 O O2D . CLA RB 23 . ? 7.290 -45.330 -10.613 1.00 54.09 ? 611 CLA B O2D 1 +HETATM 51196 C CED . CLA RB 23 . ? 7.319 -46.584 -9.935 1.00 49.16 ? 611 CLA B CED 1 +HETATM 51197 C C1 . CLA RB 23 . ? 8.053 -37.548 -11.927 1.00 45.33 ? 611 CLA B C1 1 +HETATM 51198 C C2 . CLA RB 23 . ? 8.246 -36.705 -13.170 1.00 49.35 ? 611 CLA B C2 1 +HETATM 51199 C C3 . CLA RB 23 . ? 8.958 -35.558 -13.138 1.00 56.11 ? 611 CLA B C3 1 +HETATM 51200 C C4 . CLA RB 23 . ? 9.570 -35.084 -11.847 1.00 49.18 ? 611 CLA B C4 1 +HETATM 51201 C C5 . CLA RB 23 . ? 9.155 -34.719 -14.380 1.00 47.82 ? 611 CLA B C5 1 +HETATM 51202 C C6 . CLA RB 23 . ? 8.550 -35.280 -15.664 1.00 45.57 ? 611 CLA B C6 1 +HETATM 51203 C C7 . CLA RB 23 . ? 8.419 -34.134 -16.674 1.00 59.48 ? 611 CLA B C7 1 +HETATM 51204 C C8 . CLA RB 23 . ? 7.765 -34.551 -17.992 1.00 57.62 ? 611 CLA B C8 1 +HETATM 51205 C C9 . CLA RB 23 . ? 8.527 -35.708 -18.631 1.00 61.42 ? 611 CLA B C9 1 +HETATM 51206 C C10 . CLA RB 23 . ? 7.647 -33.378 -18.961 1.00 66.24 ? 611 CLA B C10 1 +HETATM 51207 C C11 . CLA RB 23 . ? 6.701 -32.297 -18.440 1.00 64.75 ? 611 CLA B C11 1 +HETATM 51208 C C12 . CLA RB 23 . ? 5.217 -32.616 -18.617 1.00 65.71 ? 611 CLA B C12 1 +HETATM 51209 C C13 . CLA RB 23 . ? 4.417 -31.331 -18.396 1.00 66.83 ? 611 CLA B C13 1 +HETATM 51210 C C14 . CLA RB 23 . ? 4.860 -30.644 -17.115 1.00 61.21 ? 611 CLA B C14 1 +HETATM 51211 C C15 . CLA RB 23 . ? 2.917 -31.580 -18.302 1.00 57.94 ? 611 CLA B C15 1 +HETATM 51212 C C16 . CLA RB 23 . ? 2.274 -31.863 -19.644 1.00 55.19 ? 611 CLA B C16 1 +HETATM 51213 C C17 . CLA RB 23 . ? 0.914 -32.473 -19.361 1.00 58.13 ? 611 CLA B C17 1 +HETATM 51214 C C18 . CLA RB 23 . ? 0.433 -33.269 -20.561 1.00 63.80 ? 611 CLA B C18 1 +HETATM 51215 C C19 . CLA RB 23 . ? -0.047 -32.299 -21.625 1.00 74.73 ? 611 CLA B C19 1 +HETATM 51216 C C20 . CLA RB 23 . ? -0.641 -34.278 -20.168 1.00 66.65 ? 611 CLA B C20 1 +HETATM 51217 MG MG . CLA SB 23 . ? -3.275 -39.238 -10.519 1.00 53.26 ? 612 CLA B MG 1 +HETATM 51218 C CHA . CLA SB 23 . ? -6.252 -39.728 -12.357 1.00 45.58 ? 612 CLA B CHA 1 +HETATM 51219 C CHB . CLA SB 23 . ? -3.177 -36.103 -11.647 1.00 51.14 ? 612 CLA B CHB 1 +HETATM 51220 C CHC . CLA SB 23 . ? -0.378 -38.985 -8.818 1.00 38.49 ? 612 CLA B CHC 1 +HETATM 51221 C CHD . CLA SB 23 . ? -3.711 -42.649 -9.228 1.00 46.68 ? 612 CLA B CHD 1 +HETATM 51222 N NA . CLA SB 23 . ? -4.498 -38.113 -11.776 1.00 53.87 ? 612 CLA B NA 1 +HETATM 51223 C C1A . CLA SB 23 . ? -5.578 -38.403 -12.436 1.00 48.92 ? 612 CLA B C1A 1 +HETATM 51224 C C2A . CLA SB 23 . ? -6.178 -37.326 -13.299 1.00 42.61 ? 612 CLA B C2A 1 +HETATM 51225 C C3A . CLA SB 23 . ? -5.161 -36.216 -13.102 1.00 46.59 ? 612 CLA B C3A 1 +HETATM 51226 C C4A . CLA SB 23 . ? -4.213 -36.846 -12.109 1.00 47.61 ? 612 CLA B C4A 1 +HETATM 51227 C CMA . CLA SB 23 . ? -4.434 -36.077 -14.450 1.00 40.46 ? 612 CLA B CMA 1 +HETATM 51228 C CAA . CLA SB 23 . ? -7.504 -36.846 -12.705 1.00 48.81 ? 612 CLA B CAA 1 +HETATM 51229 C CBA . CLA SB 23 . ? -7.355 -36.378 -11.250 1.00 47.05 ? 612 CLA B CBA 1 +HETATM 51230 C CGA . CLA SB 23 . ? -8.719 -36.044 -10.688 1.00 49.84 ? 612 CLA B CGA 1 +HETATM 51231 O O1A . CLA SB 23 . ? -9.358 -36.829 -10.001 1.00 53.13 ? 612 CLA B O1A 1 +HETATM 51232 O O2A . CLA SB 23 . ? -9.320 -34.769 -10.969 1.00 50.08 ? 612 CLA B O2A 1 +HETATM 51233 N NB . CLA SB 23 . ? -1.949 -37.731 -10.266 1.00 48.00 ? 612 CLA B NB 1 +HETATM 51234 C C1B . CLA SB 23 . ? -2.080 -36.501 -10.723 1.00 45.42 ? 612 CLA B C1B 1 +HETATM 51235 C C2B . CLA SB 23 . ? -0.997 -35.579 -10.267 1.00 51.89 ? 612 CLA B C2B 1 +HETATM 51236 C C3B . CLA SB 23 . ? -0.164 -36.483 -9.415 1.00 44.59 ? 612 CLA B C3B 1 +HETATM 51237 C C4B . CLA SB 23 . ? -0.865 -37.782 -9.504 1.00 45.76 ? 612 CLA B C4B 1 +HETATM 51238 C CMB . CLA SB 23 . ? -0.835 -34.120 -10.615 1.00 45.92 ? 612 CLA B CMB 1 +HETATM 51239 C CAB . CLA SB 23 . ? 1.077 -36.284 -8.610 1.00 50.36 ? 612 CLA B CAB 1 +HETATM 51240 C CBB . CLA SB 23 . ? 1.678 -35.110 -8.506 1.00 49.25 ? 612 CLA B CBB 1 +HETATM 51241 N NC . CLA SB 23 . ? -2.291 -40.552 -9.276 1.00 45.44 ? 612 CLA B NC 1 +HETATM 51242 C C1C . CLA SB 23 . ? -1.088 -40.286 -8.734 1.00 52.04 ? 612 CLA B C1C 1 +HETATM 51243 C C2C . CLA SB 23 . ? -0.482 -41.438 -7.980 1.00 49.97 ? 612 CLA B C2C 1 +HETATM 51244 C C3C . CLA SB 23 . ? -1.484 -42.508 -8.111 1.00 52.99 ? 612 CLA B C3C 1 +HETATM 51245 C C4C . CLA SB 23 . ? -2.531 -41.835 -8.926 1.00 42.99 ? 612 CLA B C4C 1 +HETATM 51246 C CMC . CLA SB 23 . ? 0.825 -41.545 -7.243 1.00 44.75 ? 612 CLA B CMC 1 +HETATM 51247 C CAC . CLA SB 23 . ? -1.454 -43.928 -7.552 1.00 51.30 ? 612 CLA B CAC 1 +HETATM 51248 C CBC . CLA SB 23 . ? -1.044 -44.887 -8.667 1.00 45.39 ? 612 CLA B CBC 1 +HETATM 51249 N ND . CLA SB 23 . ? -4.584 -40.807 -10.630 1.00 52.82 ? 612 CLA B ND 1 +HETATM 51250 C C1D . CLA SB 23 . ? -4.707 -42.136 -10.151 1.00 43.63 ? 612 CLA B C1D 1 +HETATM 51251 C C2D . CLA SB 23 . ? -5.851 -42.930 -10.657 1.00 56.67 ? 612 CLA B C2D 1 +HETATM 51252 C C3D . CLA SB 23 . ? -6.474 -41.931 -11.559 1.00 41.52 ? 612 CLA B C3D 1 +HETATM 51253 C C4D . CLA SB 23 . ? -5.694 -40.784 -11.487 1.00 47.64 ? 612 CLA B C4D 1 +HETATM 51254 C CMD . CLA SB 23 . ? -6.339 -44.329 -10.401 1.00 47.40 ? 612 CLA B CMD 1 +HETATM 51255 C CAD . CLA SB 23 . ? -7.595 -41.646 -12.494 1.00 52.14 ? 612 CLA B CAD 1 +HETATM 51256 O OBD . CLA SB 23 . ? -8.497 -42.489 -12.808 1.00 51.30 ? 612 CLA B OBD 1 +HETATM 51257 C CBD . CLA SB 23 . ? -7.488 -40.254 -13.018 1.00 50.78 ? 612 CLA B CBD 1 +HETATM 51258 C CGD . CLA SB 23 . ? -7.447 -40.254 -14.529 1.00 51.13 ? 612 CLA B CGD 1 +HETATM 51259 O O1D . CLA SB 23 . ? -8.239 -39.640 -15.217 1.00 51.22 ? 612 CLA B O1D 1 +HETATM 51260 O O2D . CLA SB 23 . ? -6.465 -41.024 -15.217 1.00 50.77 ? 612 CLA B O2D 1 +HETATM 51261 C CED . CLA SB 23 . ? -6.576 -41.062 -16.632 1.00 66.24 ? 612 CLA B CED 1 +HETATM 51262 C C1 . CLA SB 23 . ? -10.739 -34.657 -10.913 1.00 54.19 ? 612 CLA B C1 1 +HETATM 51263 C C2 . CLA SB 23 . ? -11.313 -35.122 -12.229 1.00 57.78 ? 612 CLA B C2 1 +HETATM 51264 C C3 . CLA SB 23 . ? -11.915 -34.278 -13.078 1.00 53.53 ? 612 CLA B C3 1 +HETATM 51265 C C4 . CLA SB 23 . ? -12.031 -32.827 -12.753 1.00 50.79 ? 612 CLA B C4 1 +HETATM 51266 C C5 . CLA SB 23 . ? -12.457 -34.779 -14.393 1.00 59.14 ? 612 CLA B C5 1 +HETATM 51267 C C6 . CLA SB 23 . ? -11.611 -34.237 -15.545 1.00 56.78 ? 612 CLA B C6 1 +HETATM 51268 C C7 . CLA SB 23 . ? -10.252 -34.918 -15.464 1.00 64.16 ? 612 CLA B C7 1 +HETATM 51269 C C8 . CLA SB 23 . ? -9.348 -34.569 -16.629 1.00 60.58 ? 612 CLA B C8 1 +HETATM 51270 C C9 . CLA SB 23 . ? -8.003 -35.269 -16.493 1.00 55.39 ? 612 CLA B C9 1 +HETATM 51271 C C10 . CLA SB 23 . ? -9.200 -33.072 -16.606 1.00 49.85 ? 612 CLA B C10 1 +HETATM 51272 C C11 . CLA SB 23 . ? -8.845 -32.490 -17.963 1.00 50.87 ? 612 CLA B C11 1 +HETATM 51273 C C12 . CLA SB 23 . ? -10.047 -32.406 -18.914 1.00 57.71 ? 612 CLA B C12 1 +HETATM 51274 C C13 . CLA SB 23 . ? -9.517 -32.775 -20.303 1.00 59.59 ? 612 CLA B C13 1 +HETATM 51275 C C14 . CLA SB 23 . ? -8.657 -31.612 -20.805 1.00 56.82 ? 612 CLA B C14 1 +HETATM 51276 C C15 . CLA SB 23 . ? -10.606 -33.142 -21.319 1.00 57.53 ? 612 CLA B C15 1 +HETATM 51277 C C16 . CLA SB 23 . ? -11.451 -34.350 -20.940 1.00 58.58 ? 612 CLA B C16 1 +HETATM 51278 C C17 . CLA SB 23 . ? -10.625 -35.624 -20.953 1.00 55.13 ? 612 CLA B C17 1 +HETATM 51279 C C18 . CLA SB 23 . ? -11.547 -36.833 -20.979 1.00 63.39 ? 612 CLA B C18 1 +HETATM 51280 C C19 . CLA SB 23 . ? -12.293 -36.965 -19.669 1.00 71.52 ? 612 CLA B C19 1 +HETATM 51281 C C20 . CLA SB 23 . ? -10.776 -38.107 -21.256 1.00 72.26 ? 612 CLA B C20 1 +HETATM 51282 MG MG . CLA TB 23 . ? -2.099 -32.711 -16.818 1.00 44.80 ? 613 CLA B MG 1 +HETATM 51283 C CHA . CLA TB 23 . ? 0.867 -33.052 -15.035 1.00 43.31 ? 613 CLA B CHA 1 +HETATM 51284 C CHB . CLA TB 23 . ? -2.247 -36.111 -17.047 1.00 45.05 ? 613 CLA B CHB 1 +HETATM 51285 C CHC . CLA TB 23 . ? -4.626 -32.327 -19.091 1.00 46.74 ? 613 CLA B CHC 1 +HETATM 51286 C CHD . CLA TB 23 . ? -1.414 -29.126 -17.072 1.00 44.08 ? 613 CLA B CHD 1 +HETATM 51287 N NA . CLA TB 23 . ? -0.897 -34.308 -16.198 1.00 46.26 ? 613 CLA B NA 1 +HETATM 51288 C C1A . CLA TB 23 . ? 0.134 -34.314 -15.422 1.00 43.29 ? 613 CLA B C1A 1 +HETATM 51289 C C2A . CLA TB 23 . ? 0.657 -35.665 -14.989 1.00 46.95 ? 613 CLA B C2A 1 +HETATM 51290 C C3A . CLA TB 23 . ? -0.338 -36.600 -15.674 1.00 48.16 ? 613 CLA B C3A 1 +HETATM 51291 C C4A . CLA TB 23 . ? -1.217 -35.594 -16.353 1.00 44.66 ? 613 CLA B C4A 1 +HETATM 51292 C CMA . CLA TB 23 . ? 0.321 -37.375 -16.814 1.00 45.52 ? 613 CLA B CMA 1 +HETATM 51293 C CAA . CLA TB 23 . ? 0.522 -35.823 -13.464 1.00 42.46 ? 613 CLA B CAA 1 +HETATM 51294 C CBA . CLA TB 23 . ? 0.804 -37.256 -13.014 1.00 48.28 ? 613 CLA B CBA 1 +HETATM 51295 C CGA . CLA TB 23 . ? 2.263 -37.630 -13.150 1.00 45.08 ? 613 CLA B CGA 1 +HETATM 51296 O O1A . CLA TB 23 . ? 3.063 -37.507 -12.241 1.00 57.60 ? 613 CLA B O1A 1 +HETATM 51297 O O2A . CLA TB 23 . ? 2.792 -38.167 -14.360 1.00 51.32 ? 613 CLA B O2A 1 +HETATM 51298 N NB . CLA TB 23 . ? -3.232 -34.021 -17.901 1.00 46.07 ? 613 CLA B NB 1 +HETATM 51299 C C1B . CLA TB 23 . ? -3.253 -35.350 -17.812 1.00 45.66 ? 613 CLA B C1B 1 +HETATM 51300 C C2B . CLA TB 23 . ? -4.387 -36.009 -18.518 1.00 45.68 ? 613 CLA B C2B 1 +HETATM 51301 C C3B . CLA TB 23 . ? -5.077 -34.840 -19.126 1.00 50.07 ? 613 CLA B C3B 1 +HETATM 51302 C C4B . CLA TB 23 . ? -4.269 -33.689 -18.675 1.00 45.32 ? 613 CLA B C4B 1 +HETATM 51303 C CMB . CLA TB 23 . ? -4.724 -37.468 -18.570 1.00 44.77 ? 613 CLA B CMB 1 +HETATM 51304 C CAB . CLA TB 23 . ? -6.282 -34.711 -19.991 1.00 50.77 ? 613 CLA B CAB 1 +HETATM 51305 C CBB . CLA TB 23 . ? -6.951 -35.770 -20.382 1.00 48.82 ? 613 CLA B CBB 1 +HETATM 51306 N NC . CLA TB 23 . ? -2.836 -31.062 -17.854 1.00 50.53 ? 613 CLA B NC 1 +HETATM 51307 C C1C . CLA TB 23 . ? -3.870 -31.110 -18.722 1.00 48.50 ? 613 CLA B C1C 1 +HETATM 51308 C C2C . CLA TB 23 . ? -4.251 -29.809 -19.324 1.00 42.11 ? 613 CLA B C2C 1 +HETATM 51309 C C3C . CLA TB 23 . ? -3.300 -28.872 -18.709 1.00 53.11 ? 613 CLA B C3C 1 +HETATM 51310 C C4C . CLA TB 23 . ? -2.493 -29.761 -17.836 1.00 42.68 ? 613 CLA B C4C 1 +HETATM 51311 C CMC . CLA TB 23 . ? -5.345 -29.494 -20.308 1.00 52.56 ? 613 CLA B CMC 1 +HETATM 51312 C CAC . CLA TB 23 . ? -3.155 -27.382 -18.926 1.00 47.73 ? 613 CLA B CAC 1 +HETATM 51313 C CBC . CLA TB 23 . ? -2.158 -27.222 -20.067 1.00 39.89 ? 613 CLA B CBC 1 +HETATM 51314 N ND . CLA TB 23 . ? -0.673 -31.368 -16.278 1.00 49.81 ? 613 CLA B ND 1 +HETATM 51315 C C1D . CLA TB 23 . ? -0.478 -29.951 -16.333 1.00 45.10 ? 613 CLA B C1D 1 +HETATM 51316 C C2D . CLA TB 23 . ? 0.686 -29.413 -15.597 1.00 51.88 ? 613 CLA B C2D 1 +HETATM 51317 C C3D . CLA TB 23 . ? 1.231 -30.696 -15.049 1.00 40.05 ? 613 CLA B C3D 1 +HETATM 51318 C C4D . CLA TB 23 . ? 0.396 -31.730 -15.479 1.00 43.96 ? 613 CLA B C4D 1 +HETATM 51319 C CMD . CLA TB 23 . ? 1.228 -28.018 -15.382 1.00 41.59 ? 613 CLA B CMD 1 +HETATM 51320 C CAD . CLA TB 23 . ? 2.304 -31.316 -14.229 1.00 47.37 ? 613 CLA B CAD 1 +HETATM 51321 O OBD . CLA TB 23 . ? 3.264 -30.692 -13.640 1.00 46.22 ? 613 CLA B OBD 1 +HETATM 51322 C CBD . CLA TB 23 . ? 2.064 -32.787 -14.174 1.00 45.90 ? 613 CLA B CBD 1 +HETATM 51323 C CGD . CLA TB 23 . ? 3.327 -33.558 -14.387 1.00 50.80 ? 613 CLA B CGD 1 +HETATM 51324 O O1D . CLA TB 23 . ? 3.606 -34.011 -15.476 1.00 46.29 ? 613 CLA B O1D 1 +HETATM 51325 O O2D . CLA TB 23 . ? 4.229 -33.744 -13.257 1.00 45.22 ? 613 CLA B O2D 1 +HETATM 51326 C CED . CLA TB 23 . ? 5.529 -34.269 -13.497 1.00 50.84 ? 613 CLA B CED 1 +HETATM 51327 C C1 . CLA TB 23 . ? 4.212 -38.199 -14.513 1.00 62.39 ? 613 CLA B C1 1 +HETATM 51328 C C2 . CLA TB 23 . ? 4.614 -37.486 -15.791 1.00 65.28 ? 613 CLA B C2 1 +HETATM 51329 C C3 . CLA TB 23 . ? 4.481 -38.179 -16.929 1.00 68.66 ? 613 CLA B C3 1 +HETATM 51330 C C4 . CLA TB 23 . ? 3.970 -39.590 -16.842 1.00 63.04 ? 613 CLA B C4 1 +HETATM 51331 C C5 . CLA TB 23 . ? 4.856 -37.566 -18.255 1.00 66.38 ? 613 CLA B C5 1 +HETATM 51332 C C6 . CLA TB 23 . ? 3.706 -37.441 -19.250 1.00 58.65 ? 613 CLA B C6 1 +HETATM 51333 C C7 . CLA TB 23 . ? 4.283 -36.938 -20.568 1.00 65.27 ? 613 CLA B C7 1 +HETATM 51334 C C8 . CLA TB 23 . ? 3.255 -36.367 -21.540 1.00 65.23 ? 613 CLA B C8 1 +HETATM 51335 C C9 . CLA TB 23 . ? 2.256 -37.446 -21.928 1.00 63.84 ? 613 CLA B C9 1 +HETATM 51336 C C10 . CLA TB 23 . ? 3.969 -35.854 -22.794 1.00 68.68 ? 613 CLA B C10 1 +HETATM 51337 C C11 . CLA TB 23 . ? 5.344 -35.239 -22.528 1.00 71.65 ? 613 CLA B C11 1 +HETATM 51338 C C12 . CLA TB 23 . ? 5.711 -34.239 -23.627 1.00 89.06 ? 613 CLA B C12 1 +HETATM 51339 C C13 . CLA TB 23 . ? 7.219 -34.057 -23.846 1.00 88.44 ? 613 CLA B C13 1 +HETATM 51340 C C14 . CLA TB 23 . ? 8.004 -35.324 -23.520 1.00 108.72 ? 613 CLA B C14 1 +HETATM 51341 C C15 . CLA TB 23 . ? 7.776 -32.889 -23.039 1.00 96.54 ? 613 CLA B C15 1 +HETATM 51342 C C16 . CLA TB 23 . ? 6.914 -31.629 -23.114 1.00 109.98 ? 613 CLA B C16 1 +HETATM 51343 C C17 . CLA TB 23 . ? 7.333 -30.690 -24.244 1.00 109.97 ? 613 CLA B C17 1 +HETATM 51344 C C18 . CLA TB 23 . ? 8.420 -29.702 -23.823 1.00 106.75 ? 613 CLA B C18 1 +HETATM 51345 C C19 . CLA TB 23 . ? 7.931 -28.742 -22.739 1.00 99.22 ? 613 CLA B C19 1 +HETATM 51346 C C20 . CLA TB 23 . ? 8.945 -28.941 -25.040 1.00 100.19 ? 613 CLA B C20 1 +HETATM 51347 MG MG . CLA UB 23 . ? 5.947 -32.951 -8.013 1.00 46.19 ? 614 CLA B MG 1 +HETATM 51348 C CHA . CLA UB 23 . ? 7.574 -33.656 -5.012 1.00 43.19 ? 614 CLA B CHA 1 +HETATM 51349 C CHB . CLA UB 23 . ? 3.055 -32.681 -6.248 1.00 45.00 ? 614 CLA B CHB 1 +HETATM 51350 C CHC . CLA UB 23 . ? 4.589 -31.464 -10.741 1.00 43.97 ? 614 CLA B CHC 1 +HETATM 51351 C CHD . CLA UB 23 . ? 9.290 -32.629 -9.578 1.00 39.98 ? 614 CLA B CHD 1 +HETATM 51352 N NA . CLA UB 23 . ? 5.405 -33.086 -6.002 1.00 44.94 ? 614 CLA B NA 1 +HETATM 51353 C C1A . CLA UB 23 . ? 6.093 -33.485 -4.990 1.00 48.69 ? 614 CLA B C1A 1 +HETATM 51354 C C2A . CLA UB 23 . ? 5.359 -33.648 -3.688 1.00 54.87 ? 614 CLA B C2A 1 +HETATM 51355 C C3A . CLA UB 23 . ? 3.918 -33.405 -4.097 1.00 50.11 ? 614 CLA B C3A 1 +HETATM 51356 C C4A . CLA UB 23 . ? 4.139 -33.036 -5.548 1.00 50.38 ? 614 CLA B C4A 1 +HETATM 51357 C CMA . CLA UB 23 . ? 3.229 -34.787 -4.024 1.00 52.67 ? 614 CLA B CMA 1 +HETATM 51358 C CAA . CLA UB 23 . ? 5.755 -32.496 -2.752 1.00 50.99 ? 614 CLA B CAA 1 +HETATM 51359 C CBA . CLA UB 23 . ? 5.624 -31.061 -3.333 1.00 59.47 ? 614 CLA B CBA 1 +HETATM 51360 C CGA . CLA UB 23 . ? 6.886 -30.573 -4.044 1.00 55.54 ? 614 CLA B CGA 1 +HETATM 51361 O O1A . CLA UB 23 . ? 7.993 -30.620 -3.525 1.00 59.38 ? 614 CLA B O1A 1 +HETATM 51362 O O2A . CLA UB 23 . ? 6.836 -30.043 -5.391 1.00 59.46 ? 614 CLA B O2A 1 +HETATM 51363 N NB . CLA UB 23 . ? 4.098 -32.189 -8.434 1.00 45.66 ? 614 CLA B NB 1 +HETATM 51364 C C1B . CLA UB 23 . ? 3.015 -32.221 -7.660 1.00 51.02 ? 614 CLA B C1B 1 +HETATM 51365 C C2B . CLA UB 23 . ? 1.785 -31.642 -8.281 1.00 47.91 ? 614 CLA B C2B 1 +HETATM 51366 C C3B . CLA UB 23 . ? 2.284 -31.282 -9.622 1.00 48.22 ? 614 CLA B C3B 1 +HETATM 51367 C C4B . CLA UB 23 . ? 3.717 -31.665 -9.581 1.00 39.62 ? 614 CLA B C4B 1 +HETATM 51368 C CMB . CLA UB 23 . ? 0.405 -31.511 -7.686 1.00 51.18 ? 614 CLA B CMB 1 +HETATM 51369 C CAB . CLA UB 23 . ? 1.614 -30.689 -10.813 1.00 48.89 ? 614 CLA B CAB 1 +HETATM 51370 C CBB . CLA UB 23 . ? 0.327 -30.877 -11.059 1.00 49.53 ? 614 CLA B CBB 1 +HETATM 51371 N NC . CLA UB 23 . ? 6.768 -32.207 -9.765 1.00 45.62 ? 614 CLA B NC 1 +HETATM 51372 C C1C . CLA UB 23 . ? 6.043 -31.646 -10.747 1.00 43.54 ? 614 CLA B C1C 1 +HETATM 51373 C C2C . CLA UB 23 . ? 6.817 -31.196 -11.931 1.00 50.50 ? 614 CLA B C2C 1 +HETATM 51374 C C3C . CLA UB 23 . ? 8.201 -31.551 -11.574 1.00 44.63 ? 614 CLA B C3C 1 +HETATM 51375 C C4C . CLA UB 23 . ? 8.051 -32.147 -10.223 1.00 49.88 ? 614 CLA B C4C 1 +HETATM 51376 C CMC . CLA UB 23 . ? 6.344 -30.548 -13.217 1.00 46.95 ? 614 CLA B CMC 1 +HETATM 51377 C CAC . CLA UB 23 . ? 9.461 -31.320 -12.381 1.00 48.87 ? 614 CLA B CAC 1 +HETATM 51378 C CBC . CLA UB 23 . ? 9.882 -29.877 -12.090 1.00 42.11 ? 614 CLA B CBC 1 +HETATM 51379 N ND . CLA UB 23 . ? 7.924 -33.076 -7.545 1.00 48.19 ? 614 CLA B ND 1 +HETATM 51380 C C1D . CLA UB 23 . ? 9.208 -33.002 -8.181 1.00 48.66 ? 614 CLA B C1D 1 +HETATM 51381 C C2D . CLA UB 23 . ? 10.377 -33.313 -7.331 1.00 46.52 ? 614 CLA B C2D 1 +HETATM 51382 C C3D . CLA UB 23 . ? 9.665 -33.580 -6.063 1.00 46.29 ? 614 CLA B C3D 1 +HETATM 51383 C C4D . CLA UB 23 . ? 8.316 -33.419 -6.264 1.00 45.56 ? 614 CLA B C4D 1 +HETATM 51384 C CMD . CLA UB 23 . ? 11.868 -33.390 -7.502 1.00 51.47 ? 614 CLA B CMD 1 +HETATM 51385 C CAD . CLA UB 23 . ? 9.870 -33.913 -4.644 1.00 49.84 ? 614 CLA B CAD 1 +HETATM 51386 O OBD . CLA UB 23 . ? 11.027 -34.124 -4.155 1.00 56.59 ? 614 CLA B OBD 1 +HETATM 51387 C CBD . CLA UB 23 . ? 8.565 -33.981 -3.940 1.00 49.08 ? 614 CLA B CBD 1 +HETATM 51388 C CGD . CLA UB 23 . ? 8.436 -35.340 -3.283 1.00 52.88 ? 614 CLA B CGD 1 +HETATM 51389 O O1D . CLA UB 23 . ? 7.562 -35.583 -2.492 1.00 57.94 ? 614 CLA B O1D 1 +HETATM 51390 O O2D . CLA UB 23 . ? 9.403 -36.388 -3.512 1.00 55.05 ? 614 CLA B O2D 1 +HETATM 51391 C CED . CLA UB 23 . ? 9.363 -37.574 -2.735 1.00 48.64 ? 614 CLA B CED 1 +HETATM 51392 C C1 . CLA UB 23 . ? 8.031 -29.564 -6.022 1.00 67.51 ? 614 CLA B C1 1 +HETATM 51393 C C2 . CLA UB 23 . ? 7.788 -29.324 -7.509 1.00 77.48 ? 614 CLA B C2 1 +HETATM 51394 C C3 . CLA UB 23 . ? 7.549 -28.080 -7.941 1.00 74.88 ? 614 CLA B C3 1 +HETATM 51395 C C4 . CLA UB 23 . ? 7.529 -26.964 -6.945 1.00 84.31 ? 614 CLA B C4 1 +HETATM 51396 C C5 . CLA UB 23 . ? 7.300 -27.772 -9.395 1.00 84.08 ? 614 CLA B C5 1 +HETATM 51397 C C6 . CLA UB 23 . ? 8.090 -26.536 -9.829 1.00 84.34 ? 614 CLA B C6 1 +HETATM 51398 C C7 . CLA UB 23 . ? 7.235 -25.460 -10.501 1.00 104.39 ? 614 CLA B C7 1 +HETATM 51399 C C8 . CLA UB 23 . ? 7.277 -25.514 -12.032 1.00 96.84 ? 614 CLA B C8 1 +HETATM 51400 C C9 . CLA UB 23 . ? 8.676 -25.800 -12.574 1.00 86.36 ? 614 CLA B C9 1 +HETATM 51401 C C10 . CLA UB 23 . ? 6.702 -24.232 -12.645 1.00 93.32 ? 614 CLA B C10 1 +HETATM 51402 C C11 . CLA UB 23 . ? 6.910 -22.982 -11.784 1.00 118.61 ? 614 CLA B C11 1 +HETATM 51403 C C12 . CLA UB 23 . ? 5.592 -22.263 -11.464 1.00 117.46 ? 614 CLA B C12 1 +HETATM 51404 C C13 . CLA UB 23 . ? 5.364 -20.967 -12.252 1.00 92.44 ? 614 CLA B C13 1 +HETATM 51405 C C14 . CLA UB 23 . ? 4.059 -20.310 -11.807 1.00 74.89 ? 614 CLA B C14 1 +HETATM 51406 C C15 . CLA UB 23 . ? 5.360 -21.237 -13.760 1.00 106.84 ? 614 CLA B C15 1 +HETATM 51407 C C16 . CLA UB 23 . ? 6.405 -20.419 -14.520 1.00 116.50 ? 614 CLA B C16 1 +HETATM 51408 C C17 . CLA UB 23 . ? 6.613 -20.867 -15.970 1.00 93.71 ? 614 CLA B C17 1 +HETATM 51409 C C18 . CLA UB 23 . ? 7.136 -19.690 -16.807 1.00 101.97 ? 614 CLA B C18 1 +HETATM 51410 C C19 . CLA UB 23 . ? 6.044 -18.655 -17.044 1.00 100.82 ? 614 CLA B C19 1 +HETATM 51411 C C20 . CLA UB 23 . ? 7.724 -20.103 -18.152 1.00 84.85 ? 614 CLA B C20 1 +HETATM 51412 MG MG . CLA VB 23 . ? -15.290 -39.057 -4.743 1.00 52.52 ? 615 CLA B MG 1 +HETATM 51413 C CHA . CLA VB 23 . ? -12.707 -37.330 -6.341 1.00 53.32 ? 615 CLA B CHA 1 +HETATM 51414 C CHB . CLA VB 23 . ? -17.391 -36.619 -5.848 1.00 55.87 ? 615 CLA B CHB 1 +HETATM 51415 C CHC . CLA VB 23 . ? -17.594 -40.209 -2.509 1.00 51.51 ? 615 CLA B CHC 1 +HETATM 51416 C CHD . CLA VB 23 . ? -12.706 -41.097 -3.039 1.00 51.54 ? 615 CLA B CHD 1 +HETATM 51417 N NA . CLA VB 23 . ? -15.086 -37.274 -5.853 1.00 59.72 ? 615 CLA B NA 1 +HETATM 51418 C C1A . CLA VB 23 . ? -14.098 -36.837 -6.561 1.00 46.02 ? 615 CLA B C1A 1 +HETATM 51419 C C2A . CLA VB 23 . ? -14.344 -35.649 -7.471 1.00 48.96 ? 615 CLA B C2A 1 +HETATM 51420 C C3A . CLA VB 23 . ? -15.849 -35.469 -7.306 1.00 56.55 ? 615 CLA B C3A 1 +HETATM 51421 C C4A . CLA VB 23 . ? -16.120 -36.531 -6.272 1.00 56.68 ? 615 CLA B C4A 1 +HETATM 51422 C CMA . CLA VB 23 . ? -16.168 -34.122 -6.687 1.00 49.43 ? 615 CLA B CMA 1 +HETATM 51423 C CAA . CLA VB 23 . ? -13.897 -35.827 -8.928 1.00 50.30 ? 615 CLA B CAA 1 +HETATM 51424 C CBA . CLA VB 23 . ? -14.441 -34.763 -9.874 1.00 45.59 ? 615 CLA B CBA 1 +HETATM 51425 C CGA . CLA VB 23 . ? -13.923 -33.354 -9.658 1.00 53.99 ? 615 CLA B CGA 1 +HETATM 51426 O O1A . CLA VB 23 . ? -12.936 -33.085 -8.991 1.00 53.38 ? 615 CLA B O1A 1 +HETATM 51427 O O2A . CLA VB 23 . ? -14.653 -32.268 -10.272 1.00 56.01 ? 615 CLA B O2A 1 +HETATM 51428 N NB . CLA VB 23 . ? -17.208 -38.502 -4.258 1.00 57.47 ? 615 CLA B NB 1 +HETATM 51429 C C1B . CLA VB 23 . ? -17.938 -37.532 -4.825 1.00 64.24 ? 615 CLA B C1B 1 +HETATM 51430 C C2B . CLA VB 23 . ? -19.326 -37.396 -4.281 1.00 52.19 ? 615 CLA B C2B 1 +HETATM 51431 C C3B . CLA VB 23 . ? -19.374 -38.474 -3.285 1.00 64.93 ? 615 CLA B C3B 1 +HETATM 51432 C C4B . CLA VB 23 . ? -18.012 -39.082 -3.349 1.00 52.11 ? 615 CLA B C4B 1 +HETATM 51433 C CMB . CLA VB 23 . ? -20.449 -36.460 -4.610 1.00 60.29 ? 615 CLA B CMB 1 +HETATM 51434 C CAB . CLA VB 23 . ? -20.568 -38.805 -2.466 1.00 58.30 ? 615 CLA B CAB 1 +HETATM 51435 C CBB . CLA VB 23 . ? -20.501 -39.348 -1.281 1.00 78.21 ? 615 CLA B CBB 1 +HETATM 51436 N NC . CLA VB 23 . ? -15.162 -40.371 -3.139 1.00 55.91 ? 615 CLA B NC 1 +HETATM 51437 C C1C . CLA VB 23 . ? -16.205 -40.690 -2.345 1.00 57.59 ? 615 CLA B C1C 1 +HETATM 51438 C C2C . CLA VB 23 . ? -15.875 -41.631 -1.229 1.00 57.95 ? 615 CLA B C2C 1 +HETATM 51439 C C3C . CLA VB 23 . ? -14.436 -41.867 -1.405 1.00 53.82 ? 615 CLA B C3C 1 +HETATM 51440 C C4C . CLA VB 23 . ? -14.118 -41.059 -2.600 1.00 51.58 ? 615 CLA B C4C 1 +HETATM 51441 C CMC . CLA VB 23 . ? -16.751 -42.205 -0.153 1.00 53.18 ? 615 CLA B CMC 1 +HETATM 51442 C CAC . CLA VB 23 . ? -13.501 -42.727 -0.594 1.00 47.58 ? 615 CLA B CAC 1 +HETATM 51443 C CBC . CLA VB 23 . ? -13.008 -41.944 0.590 1.00 45.74 ? 615 CLA B CBC 1 +HETATM 51444 N ND . CLA VB 23 . ? -13.257 -39.252 -4.648 1.00 47.73 ? 615 CLA B ND 1 +HETATM 51445 C C1D . CLA VB 23 . ? -12.270 -40.056 -3.984 1.00 55.17 ? 615 CLA B C1D 1 +HETATM 51446 C C2D . CLA VB 23 . ? -10.857 -39.783 -4.331 1.00 48.65 ? 615 CLA B C2D 1 +HETATM 51447 C C3D . CLA VB 23 . ? -11.059 -38.654 -5.303 1.00 58.40 ? 615 CLA B C3D 1 +HETATM 51448 C C4D . CLA VB 23 . ? -12.429 -38.442 -5.410 1.00 48.94 ? 615 CLA B C4D 1 +HETATM 51449 C CMD . CLA VB 23 . ? -9.536 -40.381 -3.923 1.00 49.44 ? 615 CLA B CMD 1 +HETATM 51450 C CAD . CLA VB 23 . ? -10.379 -37.666 -6.201 1.00 53.38 ? 615 CLA B CAD 1 +HETATM 51451 O OBD . CLA VB 23 . ? -9.106 -37.567 -6.376 1.00 48.65 ? 615 CLA B OBD 1 +HETATM 51452 C CBD . CLA VB 23 . ? -11.402 -36.808 -6.857 1.00 46.59 ? 615 CLA B CBD 1 +HETATM 51453 C CGD . CLA VB 23 . ? -11.138 -35.369 -6.500 1.00 48.97 ? 615 CLA B CGD 1 +HETATM 51454 O O1D . CLA VB 23 . ? -11.634 -34.808 -5.531 1.00 49.33 ? 615 CLA B O1D 1 +HETATM 51455 O O2D . CLA VB 23 . ? -10.239 -34.617 -7.356 1.00 52.55 ? 615 CLA B O2D 1 +HETATM 51456 C CED . CLA VB 23 . ? -10.020 -33.232 -7.159 1.00 47.13 ? 615 CLA B CED 1 +HETATM 51457 C C1 . CLA VB 23 . ? -14.171 -30.930 -10.187 1.00 53.22 ? 615 CLA B C1 1 +HETATM 51458 C C2 . CLA VB 23 . ? -14.744 -30.279 -8.966 1.00 54.22 ? 615 CLA B C2 1 +HETATM 51459 C C3 . CLA VB 23 . ? -15.576 -29.233 -9.006 1.00 59.21 ? 615 CLA B C3 1 +HETATM 51460 C C4 . CLA VB 23 . ? -16.017 -28.646 -10.305 1.00 56.77 ? 615 CLA B C4 1 +HETATM 51461 C C5 . CLA VB 23 . ? -16.088 -28.667 -7.698 1.00 64.72 ? 615 CLA B C5 1 +HETATM 51462 C C6 . CLA VB 23 . ? -17.232 -29.496 -7.121 1.00 65.53 ? 615 CLA B C6 1 +HETATM 51463 C C7 . CLA VB 23 . ? -17.919 -28.777 -5.973 1.00 74.52 ? 615 CLA B C7 1 +HETATM 51464 C C8 . CLA VB 23 . ? -17.483 -29.472 -4.700 1.00 83.27 ? 615 CLA B C8 1 +HETATM 51465 C C9 . CLA VB 23 . ? -18.086 -30.870 -4.598 1.00 78.59 ? 615 CLA B C9 1 +HETATM 51466 C C10 . CLA VB 23 . ? -17.850 -28.657 -3.468 1.00 90.25 ? 615 CLA B C10 1 +HETATM 51467 C C11 . CLA VB 23 . ? -17.195 -29.370 -2.298 1.00 84.20 ? 615 CLA B C11 1 +HETATM 51468 C C12 . CLA VB 23 . ? -17.956 -29.116 -1.008 1.00 96.16 ? 615 CLA B C12 1 +HETATM 51469 C C13 . CLA VB 23 . ? -17.907 -30.350 -0.126 1.00 72.14 ? 615 CLA B C13 1 +HETATM 51470 C C14 . CLA VB 23 . ? -18.310 -29.930 1.274 1.00 77.06 ? 615 CLA B C14 1 +HETATM 51471 C C15 . CLA VB 23 . ? -16.500 -30.944 -0.159 1.00 71.12 ? 615 CLA B C15 1 +HETATM 51472 C C16 . CLA VB 23 . ? -16.471 -32.456 0.018 1.00 67.13 ? 615 CLA B C16 1 +HETATM 51473 C C17 . CLA VB 23 . ? -17.319 -33.146 -1.049 1.00 69.70 ? 615 CLA B C17 1 +HETATM 51474 C C18 . CLA VB 23 . ? -17.080 -34.650 -1.114 1.00 60.87 ? 615 CLA B C18 1 +HETATM 51475 C C19 . CLA VB 23 . ? -16.834 -35.076 -2.547 1.00 63.69 ? 615 CLA B C19 1 +HETATM 51476 C C20 . CLA VB 23 . ? -18.248 -35.453 -0.551 1.00 71.65 ? 615 CLA B C20 1 +HETATM 51477 MG MG . CLA WB 23 . ? -12.782 -32.088 0.704 1.00 51.24 ? 616 CLA B MG 1 +HETATM 51478 C CHA . CLA WB 23 . ? -13.563 -30.900 3.882 1.00 60.15 ? 616 CLA B CHA 1 +HETATM 51479 C CHB . CLA WB 23 . ? -13.109 -28.901 -0.465 1.00 48.17 ? 616 CLA B CHB 1 +HETATM 51480 C CHC . CLA WB 23 . ? -12.718 -33.395 -2.420 1.00 55.46 ? 616 CLA B CHC 1 +HETATM 51481 C CHD . CLA WB 23 . ? -13.212 -35.499 2.032 1.00 51.12 ? 616 CLA B CHD 1 +HETATM 51482 N NA . CLA WB 23 . ? -13.295 -30.234 1.530 1.00 57.85 ? 616 CLA B NA 1 +HETATM 51483 C C1A . CLA WB 23 . ? -13.381 -29.896 2.778 1.00 63.96 ? 616 CLA B C1A 1 +HETATM 51484 C C2A . CLA WB 23 . ? -13.390 -28.427 3.113 1.00 53.17 ? 616 CLA B C2A 1 +HETATM 51485 C C3A . CLA WB 23 . ? -13.289 -27.817 1.715 1.00 59.63 ? 616 CLA B C3A 1 +HETATM 51486 C C4A . CLA WB 23 . ? -13.217 -29.064 0.870 1.00 54.67 ? 616 CLA B C4A 1 +HETATM 51487 C CMA . CLA WB 23 . ? -14.591 -27.072 1.397 1.00 49.18 ? 616 CLA B CMA 1 +HETATM 51488 C CAA . CLA WB 23 . ? -12.129 -28.098 3.915 1.00 54.08 ? 616 CLA B CAA 1 +HETATM 51489 C CBA . CLA WB 23 . ? -11.938 -26.601 4.173 1.00 58.79 ? 616 CLA B CBA 1 +HETATM 51490 C CGA . CLA WB 23 . ? -13.044 -26.081 5.062 1.00 69.58 ? 616 CLA B CGA 1 +HETATM 51491 O O1A . CLA WB 23 . ? -13.512 -26.781 5.939 1.00 72.21 ? 616 CLA B O1A 1 +HETATM 51492 O O2A . CLA WB 23 . ? -13.572 -24.753 4.861 1.00 73.46 ? 616 CLA B O2A 1 +HETATM 51493 N NB . CLA WB 23 . ? -12.873 -31.258 -1.158 1.00 53.07 ? 616 CLA B NB 1 +HETATM 51494 C C1B . CLA WB 23 . ? -13.048 -29.969 -1.484 1.00 55.44 ? 616 CLA B C1B 1 +HETATM 51495 C C2B . CLA WB 23 . ? -13.181 -29.709 -2.953 1.00 59.18 ? 616 CLA B C2B 1 +HETATM 51496 C C3B . CLA WB 23 . ? -13.057 -31.085 -3.512 1.00 49.59 ? 616 CLA B C3B 1 +HETATM 51497 C C4B . CLA WB 23 . ? -12.870 -31.933 -2.306 1.00 50.54 ? 616 CLA B C4B 1 +HETATM 51498 C CMB . CLA WB 23 . ? -13.384 -28.387 -3.641 1.00 55.42 ? 616 CLA B CMB 1 +HETATM 51499 C CAB . CLA WB 23 . ? -13.076 -31.643 -4.896 1.00 53.03 ? 616 CLA B CAB 1 +HETATM 51500 C CBB . CLA WB 23 . ? -13.620 -31.011 -5.918 1.00 60.28 ? 616 CLA B CBB 1 +HETATM 51501 N NC . CLA WB 23 . ? -12.933 -34.028 -0.013 1.00 52.64 ? 616 CLA B NC 1 +HETATM 51502 C C1C . CLA WB 23 . ? -12.890 -34.348 -1.312 1.00 54.65 ? 616 CLA B C1C 1 +HETATM 51503 C C2C . CLA WB 23 . ? -13.046 -35.807 -1.602 1.00 62.15 ? 616 CLA B C2C 1 +HETATM 51504 C C3C . CLA WB 23 . ? -13.187 -36.422 -0.263 1.00 59.87 ? 616 CLA B C3C 1 +HETATM 51505 C C4C . CLA WB 23 . ? -13.098 -35.228 0.602 1.00 56.95 ? 616 CLA B C4C 1 +HETATM 51506 C CMC . CLA WB 23 . ? -13.061 -36.494 -2.930 1.00 53.75 ? 616 CLA B CMC 1 +HETATM 51507 C CAC . CLA WB 23 . ? -13.391 -37.876 0.128 1.00 55.84 ? 616 CLA B CAC 1 +HETATM 51508 C CBC . CLA WB 23 . ? -14.872 -38.153 -0.043 1.00 50.98 ? 616 CLA B CBC 1 +HETATM 51509 N ND . CLA WB 23 . ? -13.274 -33.035 2.435 1.00 59.37 ? 616 CLA B ND 1 +HETATM 51510 C C1D . CLA WB 23 . ? -13.393 -34.370 2.921 1.00 57.77 ? 616 CLA B C1D 1 +HETATM 51511 C C2D . CLA WB 23 . ? -13.700 -34.531 4.354 1.00 69.31 ? 616 CLA B C2D 1 +HETATM 51512 C C3D . CLA WB 23 . ? -13.777 -33.091 4.743 1.00 57.96 ? 616 CLA B C3D 1 +HETATM 51513 C C4D . CLA WB 23 . ? -13.540 -32.340 3.598 1.00 52.63 ? 616 CLA B C4D 1 +HETATM 51514 C CMD . CLA WB 23 . ? -13.894 -35.747 5.219 1.00 50.38 ? 616 CLA B CMD 1 +HETATM 51515 C CAD . CLA WB 23 . ? -14.007 -32.124 5.856 1.00 62.43 ? 616 CLA B CAD 1 +HETATM 51516 O OBD . CLA WB 23 . ? -14.270 -32.453 7.060 1.00 66.88 ? 616 CLA B OBD 1 +HETATM 51517 C CBD . CLA WB 23 . ? -13.881 -30.735 5.341 1.00 61.00 ? 616 CLA B CBD 1 +HETATM 51518 C CGD . CLA WB 23 . ? -15.135 -29.970 5.623 1.00 53.79 ? 616 CLA B CGD 1 +HETATM 51519 O O1D . CLA WB 23 . ? -15.185 -29.206 6.552 1.00 57.41 ? 616 CLA B O1D 1 +HETATM 51520 O O2D . CLA WB 23 . ? -16.345 -30.066 4.843 1.00 69.54 ? 616 CLA B O2D 1 +HETATM 51521 C CED . CLA WB 23 . ? -17.467 -29.343 5.361 1.00 66.40 ? 616 CLA B CED 1 +HETATM 51522 C C1 . CLA WB 23 . ? -14.560 -24.152 5.700 1.00 92.57 ? 616 CLA B C1 1 +HETATM 51523 C C2 . CLA WB 23 . ? -15.837 -24.970 5.760 1.00 119.11 ? 616 CLA B C2 1 +HETATM 51524 C C3 . CLA WB 23 . ? -16.908 -24.866 4.944 1.00 115.37 ? 616 CLA B C3 1 +HETATM 51525 C C4 . CLA WB 23 . ? -18.078 -25.780 5.191 1.00 119.31 ? 616 CLA B C4 1 +HETATM 51526 C C5 . CLA WB 23 . ? -16.990 -23.902 3.780 1.00 119.63 ? 616 CLA B C5 1 +HETATM 51527 C C6 . CLA WB 23 . ? -17.349 -24.660 2.494 1.00 132.16 ? 616 CLA B C6 1 +HETATM 51528 C C7 . CLA WB 23 . ? -18.405 -23.974 1.628 1.00 121.72 ? 616 CLA B C7 1 +HETATM 51529 C C8 . CLA WB 23 . ? -18.881 -24.886 0.493 1.00 121.49 ? 616 CLA B C8 1 +HETATM 51530 C C9 . CLA WB 23 . ? -17.711 -25.642 -0.121 1.00 115.63 ? 616 CLA B C9 1 +HETATM 51531 C C10 . CLA WB 23 . ? -19.595 -24.082 -0.594 1.00 129.67 ? 616 CLA B C10 1 +HETATM 51532 C C11 . CLA WB 23 . ? -20.462 -24.961 -1.502 1.00 125.06 ? 616 CLA B C11 1 +HETATM 51533 C C12 . CLA WB 23 . ? -20.828 -24.204 -2.780 1.00 147.25 ? 616 CLA B C12 1 +HETATM 51534 C C13 . CLA WB 23 . ? -21.975 -24.816 -3.594 1.00 140.44 ? 616 CLA B C13 1 +HETATM 51535 C C14 . CLA WB 23 . ? -23.330 -24.413 -3.012 1.00 127.45 ? 616 CLA B C14 1 +HETATM 51536 C C15 . CLA WB 23 . ? -21.816 -26.335 -3.729 1.00 123.09 ? 616 CLA B C15 1 +HETATM 51537 C C16 . CLA WB 23 . ? -22.244 -26.847 -5.109 1.00 122.35 ? 616 CLA B C16 1 +HETATM 51538 C C17 . CLA WB 23 . ? -21.617 -28.203 -5.442 1.00 127.30 ? 616 CLA B C17 1 +HETATM 51539 C C18 . CLA WB 23 . ? -21.940 -28.730 -6.851 1.00 138.49 ? 616 CLA B C18 1 +HETATM 51540 C C19 . CLA WB 23 . ? -20.992 -28.170 -7.907 1.00 108.65 ? 616 CLA B C19 1 +HETATM 51541 C C20 . CLA WB 23 . ? -23.394 -28.490 -7.256 1.00 144.26 ? 616 CLA B C20 1 +HETATM 51542 C C1 . BCR XB 25 . ? 5.335 -19.975 -25.808 1.00 60.21 ? 617 BCR B C1 1 +HETATM 51543 C C2 . BCR XB 25 . ? 6.156 -19.475 -26.984 1.00 56.20 ? 617 BCR B C2 1 +HETATM 51544 C C3 . BCR XB 25 . ? 7.591 -19.918 -26.816 1.00 64.33 ? 617 BCR B C3 1 +HETATM 51545 C C4 . BCR XB 25 . ? 8.199 -19.209 -25.628 1.00 58.10 ? 617 BCR B C4 1 +HETATM 51546 C C5 . BCR XB 25 . ? 7.290 -19.268 -24.424 1.00 61.62 ? 617 BCR B C5 1 +HETATM 51547 C C6 . BCR XB 25 . ? 5.986 -19.609 -24.495 1.00 60.27 ? 617 BCR B C6 1 +HETATM 51548 C C7 . BCR XB 25 . ? 5.157 -19.616 -23.263 1.00 48.70 ? 617 BCR B C7 1 +HETATM 51549 C C8 . BCR XB 25 . ? 5.069 -20.650 -22.443 1.00 49.50 ? 617 BCR B C8 1 +HETATM 51550 C C9 . BCR XB 25 . ? 4.240 -20.577 -21.213 1.00 57.13 ? 617 BCR B C9 1 +HETATM 51551 C C10 . BCR XB 25 . ? 4.326 -21.596 -20.340 1.00 51.37 ? 617 BCR B C10 1 +HETATM 51552 C C11 . BCR XB 25 . ? 3.607 -21.654 -19.072 1.00 51.20 ? 617 BCR B C11 1 +HETATM 51553 C C33 . BCR XB 25 . ? 7.911 -18.899 -23.108 1.00 68.26 ? 617 BCR B C33 1 +HETATM 51554 C C31 . BCR XB 25 . ? 5.204 -21.488 -25.818 1.00 65.97 ? 617 BCR B C31 1 +HETATM 51555 C C32 . BCR XB 25 . ? 3.949 -19.363 -25.912 1.00 69.14 ? 617 BCR B C32 1 +HETATM 51556 C C34 . BCR XB 25 . ? 3.347 -19.395 -20.961 1.00 52.90 ? 617 BCR B C34 1 +HETATM 51557 C C12 . BCR XB 25 . ? 3.831 -22.693 -18.258 1.00 55.82 ? 617 BCR B C12 1 +HETATM 51558 C C13 . BCR XB 25 . ? 3.180 -22.800 -16.928 1.00 65.88 ? 617 BCR B C13 1 +HETATM 51559 C C14 . BCR XB 25 . ? 3.448 -23.886 -16.156 1.00 55.09 ? 617 BCR B C14 1 +HETATM 51560 C C15 . BCR XB 25 . ? 2.905 -24.096 -14.808 1.00 51.94 ? 617 BCR B C15 1 +HETATM 51561 C C16 . BCR XB 25 . ? 3.184 -25.207 -14.096 1.00 50.89 ? 617 BCR B C16 1 +HETATM 51562 C C17 . BCR XB 25 . ? 2.643 -25.371 -12.731 1.00 48.55 ? 617 BCR B C17 1 +HETATM 51563 C C18 . BCR XB 25 . ? 3.033 -26.355 -11.888 1.00 61.40 ? 617 BCR B C18 1 +HETATM 51564 C C19 . BCR XB 25 . ? 2.450 -26.405 -10.520 1.00 59.23 ? 617 BCR B C19 1 +HETATM 51565 C C20 . BCR XB 25 . ? 2.946 -27.138 -9.510 1.00 52.39 ? 617 BCR B C20 1 +HETATM 51566 C C21 . BCR XB 25 . ? 2.253 -27.077 -8.216 1.00 44.35 ? 617 BCR B C21 1 +HETATM 51567 C C22 . BCR XB 25 . ? 2.622 -27.753 -7.104 1.00 57.18 ? 617 BCR B C22 1 +HETATM 51568 C C23 . BCR XB 25 . ? 1.873 -27.592 -5.987 1.00 54.64 ? 617 BCR B C23 1 +HETATM 51569 C C24 . BCR XB 25 . ? 2.156 -28.112 -4.786 1.00 51.36 ? 617 BCR B C24 1 +HETATM 51570 C C25 . BCR XB 25 . ? 1.309 -27.896 -3.573 1.00 56.54 ? 617 BCR B C25 1 +HETATM 51571 C C26 . BCR XB 25 . ? 1.019 -26.660 -3.093 1.00 54.35 ? 617 BCR B C26 1 +HETATM 51572 C C27 . BCR XB 25 . ? 0.162 -26.424 -1.867 1.00 63.95 ? 617 BCR B C27 1 +HETATM 51573 C C28 . BCR XB 25 . ? 0.032 -27.680 -1.014 1.00 58.77 ? 617 BCR B C28 1 +HETATM 51574 C C29 . BCR XB 25 . ? -0.259 -28.911 -1.846 1.00 47.37 ? 617 BCR B C29 1 +HETATM 51575 C C30 . BCR XB 25 . ? 0.804 -29.175 -2.901 1.00 59.87 ? 617 BCR B C30 1 +HETATM 51576 C C35 . BCR XB 25 . ? 2.286 -21.681 -16.452 1.00 42.12 ? 617 BCR B C35 1 +HETATM 51577 C C36 . BCR XB 25 . ? 4.022 -27.408 -12.325 1.00 43.86 ? 617 BCR B C36 1 +HETATM 51578 C C37 . BCR XB 25 . ? 3.833 -28.641 -7.104 1.00 43.25 ? 617 BCR B C37 1 +HETATM 51579 C C38 . BCR XB 25 . ? 1.515 -25.386 -3.721 1.00 58.32 ? 617 BCR B C38 1 +HETATM 51580 C C39 . BCR XB 25 . ? 0.203 -30.107 -3.955 1.00 49.87 ? 617 BCR B C39 1 +HETATM 51581 C C40 . BCR XB 25 . ? 1.963 -29.955 -2.292 1.00 50.34 ? 617 BCR B C40 1 +HETATM 51582 C C1 . BCR YB 25 . ? 3.138 -28.241 -24.502 1.00 67.83 ? 618 BCR B C1 1 +HETATM 51583 C C2 . BCR YB 25 . ? 3.953 -28.317 -25.791 1.00 70.86 ? 618 BCR B C2 1 +HETATM 51584 C C3 . BCR YB 25 . ? 4.347 -26.931 -26.277 1.00 68.05 ? 618 BCR B C3 1 +HETATM 51585 C C4 . BCR YB 25 . ? 5.146 -26.161 -25.238 1.00 57.84 ? 618 BCR B C4 1 +HETATM 51586 C C5 . BCR YB 25 . ? 4.517 -26.221 -23.865 1.00 62.94 ? 618 BCR B C5 1 +HETATM 51587 C C6 . BCR YB 25 . ? 3.601 -27.158 -23.524 1.00 55.85 ? 618 BCR B C6 1 +HETATM 51588 C C7 . BCR YB 25 . ? 3.004 -27.198 -22.149 1.00 59.08 ? 618 BCR B C7 1 +HETATM 51589 C C8 . BCR YB 25 . ? 2.259 -26.209 -21.627 1.00 50.64 ? 618 BCR B C8 1 +HETATM 51590 C C9 . BCR YB 25 . ? 1.642 -26.233 -20.284 1.00 55.00 ? 618 BCR B C9 1 +HETATM 51591 C C10 . BCR YB 25 . ? 1.164 -25.076 -19.770 1.00 49.66 ? 618 BCR B C10 1 +HETATM 51592 C C11 . BCR YB 25 . ? 0.503 -24.968 -18.461 1.00 47.64 ? 618 BCR B C11 1 +HETATM 51593 C C33 . BCR YB 25 . ? 4.993 -25.169 -22.899 1.00 51.12 ? 618 BCR B C33 1 +HETATM 51594 C C31 . BCR YB 25 . ? 3.263 -29.605 -23.837 1.00 63.56 ? 618 BCR B C31 1 +HETATM 51595 C C32 . BCR YB 25 . ? 1.680 -27.976 -24.853 1.00 67.75 ? 618 BCR B C32 1 +HETATM 51596 C C34 . BCR YB 25 . ? 1.530 -27.528 -19.523 1.00 51.50 ? 618 BCR B C34 1 +HETATM 51597 C C12 . BCR YB 25 . ? -0.183 -23.847 -18.193 1.00 51.85 ? 618 BCR B C12 1 +HETATM 51598 C C13 . BCR YB 25 . ? -0.920 -23.614 -16.922 1.00 53.44 ? 618 BCR B C13 1 +HETATM 51599 C C14 . BCR YB 25 . ? -1.398 -22.381 -16.634 1.00 43.22 ? 618 BCR B C14 1 +HETATM 51600 C C15 . BCR YB 25 . ? -2.150 -22.061 -15.409 1.00 46.62 ? 618 BCR B C15 1 +HETATM 51601 C C16 . BCR YB 25 . ? -2.533 -20.811 -15.097 1.00 46.43 ? 618 BCR B C16 1 +HETATM 51602 C C17 . BCR YB 25 . ? -3.297 -20.555 -13.874 1.00 47.26 ? 618 BCR B C17 1 +HETATM 51603 C C18 . BCR YB 25 . ? -3.683 -19.337 -13.432 1.00 51.53 ? 618 BCR B C18 1 +HETATM 51604 C C19 . BCR YB 25 . ? -4.455 -19.236 -12.165 1.00 47.34 ? 618 BCR B C19 1 +HETATM 51605 C C20 . BCR YB 25 . ? -4.783 -18.065 -11.578 1.00 51.72 ? 618 BCR B C20 1 +HETATM 51606 C C21 . BCR YB 25 . ? -5.553 -18.085 -10.324 1.00 52.11 ? 618 BCR B C21 1 +HETATM 51607 C C22 . BCR YB 25 . ? -5.894 -17.028 -9.547 1.00 60.09 ? 618 BCR B C22 1 +HETATM 51608 C C23 . BCR YB 25 . ? -6.612 -17.256 -8.408 1.00 60.27 ? 618 BCR B C23 1 +HETATM 51609 C C24 . BCR YB 25 . ? -6.990 -16.303 -7.531 1.00 55.38 ? 618 BCR B C24 1 +HETATM 51610 C C25 . BCR YB 25 . ? -7.770 -16.482 -6.248 1.00 58.91 ? 618 BCR B C25 1 +HETATM 51611 C C26 . BCR YB 25 . ? -7.231 -17.046 -5.149 1.00 73.88 ? 618 BCR B C26 1 +HETATM 51612 C C27 . BCR YB 25 . ? -7.991 -17.196 -3.850 1.00 66.54 ? 618 BCR B C27 1 +HETATM 51613 C C28 . BCR YB 25 . ? -9.476 -17.368 -4.073 1.00 64.16 ? 618 BCR B C28 1 +HETATM 51614 C C29 . BCR YB 25 . ? -10.004 -16.249 -4.950 1.00 72.86 ? 618 BCR B C29 1 +HETATM 51615 C C30 . BCR YB 25 . ? -9.197 -15.962 -6.216 1.00 66.74 ? 618 BCR B C30 1 +HETATM 51616 C C35 . BCR YB 25 . ? -1.129 -24.775 -15.985 1.00 50.12 ? 618 BCR B C35 1 +HETATM 51617 C C36 . BCR YB 25 . ? -3.325 -18.097 -14.212 1.00 50.59 ? 618 BCR B C36 1 +HETATM 51618 C C37 . BCR YB 25 . ? -5.465 -15.638 -9.949 1.00 54.04 ? 618 BCR B C37 1 +HETATM 51619 C C38 . BCR YB 25 . ? -5.822 -17.563 -5.134 1.00 69.19 ? 618 BCR B C38 1 +HETATM 51620 C C39 . BCR YB 25 . ? -9.153 -14.444 -6.392 1.00 80.78 ? 618 BCR B C39 1 +HETATM 51621 C C40 . BCR YB 25 . ? -9.925 -16.561 -7.401 1.00 76.48 ? 618 BCR B C40 1 +HETATM 51622 C C1 . BCR ZB 25 . ? -22.559 -22.781 -11.040 1.00 90.28 ? 619 BCR B C1 1 +HETATM 51623 C C2 . BCR ZB 25 . ? -23.933 -22.291 -11.476 1.00 78.79 ? 619 BCR B C2 1 +HETATM 51624 C C3 . BCR ZB 25 . ? -24.817 -22.000 -10.286 1.00 83.21 ? 619 BCR B C3 1 +HETATM 51625 C C4 . BCR ZB 25 . ? -25.055 -23.303 -9.558 1.00 87.34 ? 619 BCR B C4 1 +HETATM 51626 C C5 . BCR ZB 25 . ? -23.743 -23.944 -9.158 1.00 99.06 ? 619 BCR B C5 1 +HETATM 51627 C C6 . BCR ZB 25 . ? -22.598 -23.710 -9.838 1.00 87.90 ? 619 BCR B C6 1 +HETATM 51628 C C7 . BCR ZB 25 . ? -21.270 -24.303 -9.506 1.00 80.35 ? 619 BCR B C7 1 +HETATM 51629 C C8 . BCR ZB 25 . ? -20.691 -24.249 -8.305 1.00 68.85 ? 619 BCR B C8 1 +HETATM 51630 C C9 . BCR ZB 25 . ? -19.349 -24.810 -8.046 1.00 62.36 ? 619 BCR B C9 1 +HETATM 51631 C C10 . BCR ZB 25 . ? -18.767 -24.482 -6.880 1.00 63.01 ? 619 BCR B C10 1 +HETATM 51632 C C11 . BCR ZB 25 . ? -17.431 -24.890 -6.453 1.00 60.89 ? 619 BCR B C11 1 +HETATM 51633 C C33 . BCR ZB 25 . ? -23.822 -24.863 -7.970 1.00 101.04 ? 619 BCR B C33 1 +HETATM 51634 C C31 . BCR ZB 25 . ? -21.658 -21.598 -10.694 1.00 72.31 ? 619 BCR B C31 1 +HETATM 51635 C C32 . BCR ZB 25 . ? -21.947 -23.544 -12.207 1.00 87.16 ? 619 BCR B C32 1 +HETATM 51636 C C34 . BCR ZB 25 . ? -18.658 -25.679 -9.053 1.00 60.37 ? 619 BCR B C34 1 +HETATM 51637 C C12 . BCR ZB 25 . ? -17.078 -24.580 -5.202 1.00 59.52 ? 619 BCR B C12 1 +HETATM 51638 C C13 . BCR ZB 25 . ? -15.744 -24.876 -4.637 1.00 54.90 ? 619 BCR B C13 1 +HETATM 51639 C C14 . BCR ZB 25 . ? -15.497 -24.553 -3.346 1.00 65.40 ? 619 BCR B C14 1 +HETATM 51640 C C15 . BCR ZB 25 . ? -14.207 -24.709 -2.665 1.00 56.38 ? 619 BCR B C15 1 +HETATM 51641 C C16 . BCR ZB 25 . ? -14.067 -24.305 -1.393 1.00 52.62 ? 619 BCR B C16 1 +HETATM 51642 C C17 . BCR ZB 25 . ? -12.779 -24.365 -0.686 1.00 54.25 ? 619 BCR B C17 1 +HETATM 51643 C C18 . BCR ZB 25 . ? -12.575 -23.970 0.598 1.00 63.85 ? 619 BCR B C18 1 +HETATM 51644 C C19 . BCR ZB 25 . ? -11.196 -24.036 1.127 1.00 53.27 ? 619 BCR B C19 1 +HETATM 51645 C C20 . BCR ZB 25 . ? -10.802 -23.673 2.354 1.00 53.71 ? 619 BCR B C20 1 +HETATM 51646 C C21 . BCR ZB 25 . ? -9.364 -23.789 2.611 1.00 47.77 ? 619 BCR B C21 1 +HETATM 51647 C C22 . BCR ZB 25 . ? -8.741 -23.529 3.764 1.00 49.28 ? 619 BCR B C22 1 +HETATM 51648 C C23 . BCR ZB 25 . ? -7.398 -23.641 3.810 1.00 57.01 ? 619 BCR B C23 1 +HETATM 51649 C C24 . BCR ZB 25 . ? -6.686 -23.207 4.862 1.00 51.85 ? 619 BCR B C24 1 +HETATM 51650 C C25 . BCR ZB 25 . ? -5.198 -23.242 4.971 1.00 57.08 ? 619 BCR B C25 1 +HETATM 51651 C C26 . BCR ZB 25 . ? -4.416 -22.468 4.178 1.00 71.63 ? 619 BCR B C26 1 +HETATM 51652 C C27 . BCR ZB 25 . ? -2.907 -22.430 4.256 1.00 59.56 ? 619 BCR B C27 1 +HETATM 51653 C C28 . BCR ZB 25 . ? -2.289 -23.503 5.135 1.00 59.07 ? 619 BCR B C28 1 +HETATM 51654 C C29 . BCR ZB 25 . ? -3.136 -23.811 6.348 1.00 61.81 ? 619 BCR B C29 1 +HETATM 51655 C C30 . BCR ZB 25 . ? -4.589 -24.127 6.019 1.00 63.70 ? 619 BCR B C30 1 +HETATM 51656 C C35 . BCR ZB 25 . ? -14.702 -25.489 -5.526 1.00 60.10 ? 619 BCR B C35 1 +HETATM 51657 C C36 . BCR ZB 25 . ? -13.693 -23.452 1.460 1.00 57.91 ? 619 BCR B C36 1 +HETATM 51658 C C37 . BCR ZB 25 . ? -9.523 -23.101 4.972 1.00 54.68 ? 619 BCR B C37 1 +HETATM 51659 C C38 . BCR ZB 25 . ? -4.997 -21.551 3.143 1.00 51.67 ? 619 BCR B C38 1 +HETATM 51660 C C39 . BCR ZB 25 . ? -5.352 -23.898 7.318 1.00 65.39 ? 619 BCR B C39 1 +HETATM 51661 C C40 . BCR ZB 25 . ? -4.728 -25.565 5.559 1.00 56.28 ? 619 BCR B C40 1 +HETATM 51662 O O6 . SQD AC 26 . ? 5.101 -26.457 4.817 1.00 135.22 ? 620 SQD B O6 1 +HETATM 51663 C C44 . SQD AC 26 . ? 4.491 -27.184 3.740 1.00 116.67 ? 620 SQD B C44 1 +HETATM 51664 C C45 . SQD AC 26 . ? 4.810 -26.640 2.347 1.00 108.14 ? 620 SQD B C45 1 +HETATM 51665 C C46 . SQD AC 26 . ? 6.316 -26.468 2.174 1.00 104.44 ? 620 SQD B C46 1 +HETATM 51666 O O47 . SQD AC 26 . ? 4.315 -27.609 1.416 1.00 123.16 ? 620 SQD B O47 1 +HETATM 51667 C C7 . SQD AC 26 . ? 4.918 -27.614 0.078 1.00 115.94 ? 620 SQD B C7 1 +HETATM 51668 O O49 . SQD AC 26 . ? 5.579 -28.585 -0.273 1.00 121.27 ? 620 SQD B O49 1 +HETATM 51669 C C8 . SQD AC 26 . ? 4.720 -26.495 -0.910 1.00 85.33 ? 620 SQD B C8 1 +HETATM 51670 C C9 . SQD AC 26 . ? 5.841 -26.597 -1.941 1.00 78.30 ? 620 SQD B C9 1 +HETATM 51671 C C10 . SQD AC 26 . ? 5.301 -26.247 -3.316 1.00 80.33 ? 620 SQD B C10 1 +HETATM 51672 C C11 . SQD AC 26 . ? 6.168 -25.250 -4.066 1.00 71.63 ? 620 SQD B C11 1 +HETATM 51673 C C12 . SQD AC 26 . ? 5.258 -24.617 -5.112 1.00 88.69 ? 620 SQD B C12 1 +HETATM 51674 C C13 . SQD AC 26 . ? 5.959 -23.674 -6.078 1.00 85.60 ? 620 SQD B C13 1 +HETATM 51675 C C14 . SQD AC 26 . ? 5.032 -23.388 -7.254 1.00 100.53 ? 620 SQD B C14 1 +HETATM 51676 C C15 . SQD AC 26 . ? 3.686 -22.841 -6.784 1.00 79.50 ? 620 SQD B C15 1 +HETATM 51677 C C16 . SQD AC 26 . ? 2.896 -22.351 -7.992 1.00 101.26 ? 620 SQD B C16 1 +HETATM 51678 C C17 . SQD AC 26 . ? 1.414 -22.189 -7.665 1.00 104.71 ? 620 SQD B C17 1 +HETATM 51679 C C18 . SQD AC 26 . ? 0.617 -21.814 -8.913 1.00 104.16 ? 620 SQD B C18 1 +HETATM 51680 C C19 . SQD AC 26 . ? -0.876 -22.006 -8.663 1.00 85.33 ? 620 SQD B C19 1 +HETATM 51681 C C20 . SQD AC 26 . ? -1.675 -21.862 -9.954 1.00 78.67 ? 620 SQD B C20 1 +HETATM 51682 C C21 . SQD AC 26 . ? -3.130 -22.254 -9.704 1.00 74.43 ? 620 SQD B C21 1 +HETATM 51683 C C22 . SQD AC 26 . ? -3.853 -21.230 -8.847 1.00 71.35 ? 620 SQD B C22 1 +HETATM 51684 O O48 . SQD AC 26 . ? 6.634 -25.093 1.974 1.00 93.20 ? 620 SQD B O48 1 +HETATM 51685 C C23 . SQD AC 26 . ? 8.038 -24.719 1.983 1.00 93.10 ? 620 SQD B C23 1 +HETATM 51686 O O10 . SQD AC 26 . ? 8.819 -25.473 2.550 1.00 113.02 ? 620 SQD B O10 1 +HETATM 51687 C C24 . SQD AC 26 . ? 8.516 -23.447 1.321 1.00 66.08 ? 620 SQD B C24 1 +HETATM 51688 C C25 . SQD AC 26 . ? 8.319 -23.502 -0.189 1.00 68.09 ? 620 SQD B C25 1 +HETATM 51689 C C26 . SQD AC 26 . ? 8.745 -22.188 -0.840 1.00 74.23 ? 620 SQD B C26 1 +HETATM 51690 C C27 . SQD AC 26 . ? 7.852 -21.841 -2.022 1.00 69.09 ? 620 SQD B C27 1 +HETATM 51691 C C28 . SQD AC 26 . ? 8.276 -20.552 -2.718 1.00 69.88 ? 620 SQD B C28 1 +HETATM 51692 C C29 . SQD AC 26 . ? 7.248 -20.252 -3.803 1.00 87.65 ? 620 SQD B C29 1 +HETATM 51693 C C30 . SQD AC 26 . ? 7.396 -18.883 -4.459 1.00 80.69 ? 620 SQD B C30 1 +HETATM 51694 C C31 . SQD AC 26 . ? 6.283 -18.721 -5.491 1.00 72.37 ? 620 SQD B C31 1 +HETATM 51695 C C32 . SQD AC 26 . ? 6.689 -17.820 -6.651 1.00 67.57 ? 620 SQD B C32 1 +HETATM 51696 C C33 . SQD AC 26 . ? 8.168 -17.992 -6.990 1.00 88.85 ? 620 SQD B C33 1 +HETATM 51697 C C34 . SQD AC 26 . ? 8.499 -17.503 -8.402 1.00 92.29 ? 620 SQD B C34 1 +HETATM 51698 C C35 . SQD AC 26 . ? 9.959 -17.778 -8.751 1.00 81.05 ? 620 SQD B C35 1 +HETATM 51699 C C36 . SQD AC 26 . ? 10.160 -17.931 -10.252 1.00 79.15 ? 620 SQD B C36 1 +HETATM 51700 C C37 . SQD AC 26 . ? 11.060 -19.132 -10.560 1.00 102.08 ? 620 SQD B C37 1 +HETATM 51701 C C38 . SQD AC 26 . ? 10.393 -20.462 -10.267 1.00 103.18 ? 620 SQD B C38 1 +HETATM 51702 C C1 . SQD AC 26 . ? 6.032 -27.311 5.492 1.00 126.61 ? 620 SQD B C1 1 +HETATM 51703 C C2 . SQD AC 26 . ? 6.451 -26.928 6.894 1.00 116.80 ? 620 SQD B C2 1 +HETATM 51704 O O2 . SQD AC 26 . ? 6.790 -25.540 6.967 1.00 112.36 ? 620 SQD B O2 1 +HETATM 51705 C C3 . SQD AC 26 . ? 7.636 -27.819 7.279 1.00 120.04 ? 620 SQD B C3 1 +HETATM 51706 O O3 . SQD AC 26 . ? 7.486 -28.242 8.642 1.00 143.49 ? 620 SQD B O3 1 +HETATM 51707 C C4 . SQD AC 26 . ? 7.859 -29.061 6.388 1.00 128.03 ? 620 SQD B C4 1 +HETATM 51708 O O4 . SQD AC 26 . ? 9.000 -28.804 5.550 1.00 129.75 ? 620 SQD B O4 1 +HETATM 51709 C C5 . SQD AC 26 . ? 6.686 -29.504 5.483 1.00 138.59 ? 620 SQD B C5 1 +HETATM 51710 C C6 . SQD AC 26 . ? 6.222 -30.947 5.693 1.00 146.82 ? 620 SQD B C6 1 +HETATM 51711 O O5 . SQD AC 26 . ? 5.553 -28.643 5.599 1.00 116.92 ? 620 SQD B O5 1 +HETATM 51712 S S . SQD AC 26 . ? 5.445 -31.524 4.322 1.00 111.90 ? 620 SQD B S 1 +HETATM 51713 O O7 . SQD AC 26 . ? 6.296 -31.367 3.120 1.00 134.31 ? 620 SQD B O7 1 +HETATM 51714 O O8 . SQD AC 26 . ? 5.137 -32.959 4.519 1.00 94.51 ? 620 SQD B O8 1 +HETATM 51715 O O9 . SQD AC 26 . ? 4.183 -30.789 4.085 1.00 89.95 ? 620 SQD B O9 1 +HETATM 51716 C C1 . LMG BC 33 . ? 3.100 -16.728 -32.718 1.00 79.86 ? 621 LMG B C1 1 +HETATM 51717 O O1 . LMG BC 33 . ? 3.015 -18.124 -32.489 1.00 81.91 ? 621 LMG B O1 1 +HETATM 51718 C C2 . LMG BC 33 . ? 3.744 -16.568 -34.089 1.00 82.03 ? 621 LMG B C2 1 +HETATM 51719 O O2 . LMG BC 33 . ? 5.043 -17.167 -34.112 1.00 83.04 ? 621 LMG B O2 1 +HETATM 51720 C C3 . LMG BC 33 . ? 3.895 -15.103 -34.442 1.00 74.56 ? 621 LMG B C3 1 +HETATM 51721 O O3 . LMG BC 33 . ? 4.407 -15.067 -35.776 1.00 73.26 ? 621 LMG B O3 1 +HETATM 51722 C C4 . LMG BC 33 . ? 2.527 -14.442 -34.333 1.00 79.69 ? 621 LMG B C4 1 +HETATM 51723 O O4 . LMG BC 33 . ? 1.710 -14.955 -35.383 1.00 89.81 ? 621 LMG B O4 1 +HETATM 51724 C C5 . LMG BC 33 . ? 1.806 -14.760 -33.014 1.00 95.97 ? 621 LMG B C5 1 +HETATM 51725 O O5 . LMG BC 33 . ? -0.320 -14.793 -31.884 1.00 72.91 ? 621 LMG B O5 1 +HETATM 51726 C C6 . LMG BC 33 . ? 0.378 -14.212 -32.992 1.00 75.52 ? 621 LMG B C6 1 +HETATM 51727 O O6 . LMG BC 33 . ? 1.785 -16.169 -32.732 1.00 72.87 ? 621 LMG B O6 1 +HETATM 51728 C C7 . LMG BC 33 . ? 3.230 -18.477 -31.132 1.00 67.33 ? 621 LMG B C7 1 +HETATM 51729 C C8 . LMG BC 33 . ? 4.018 -19.766 -31.184 1.00 63.54 ? 621 LMG B C8 1 +HETATM 51730 C C9 . LMG BC 33 . ? 5.500 -19.407 -31.304 1.00 83.26 ? 621 LMG B C9 1 +HETATM 51731 O O7 . LMG BC 33 . ? 3.841 -20.496 -29.979 1.00 91.93 ? 621 LMG B O7 1 +HETATM 51732 C C10 . LMG BC 33 . ? 2.620 -21.272 -29.941 1.00 71.31 ? 621 LMG B C10 1 +HETATM 51733 O O9 . LMG BC 33 . ? 1.577 -20.750 -30.263 1.00 94.25 ? 621 LMG B O9 1 +HETATM 51734 C C11 . LMG BC 33 . ? 2.612 -22.696 -29.475 1.00 79.86 ? 621 LMG B C11 1 +HETATM 51735 C C12 . LMG BC 33 . ? 1.674 -22.745 -28.277 1.00 66.20 ? 621 LMG B C12 1 +HETATM 51736 C C13 . LMG BC 33 . ? 1.452 -24.198 -27.895 1.00 57.86 ? 621 LMG B C13 1 +HETATM 51737 C C14 . LMG BC 33 . ? 0.862 -24.976 -29.067 1.00 58.94 ? 621 LMG B C14 1 +HETATM 51738 C C15 . LMG BC 33 . ? 1.029 -26.492 -28.907 1.00 55.73 ? 621 LMG B C15 1 +HETATM 51739 C C16 . LMG BC 33 . ? 0.121 -27.237 -29.875 1.00 61.60 ? 621 LMG B C16 1 +HETATM 51740 C C17 . LMG BC 33 . ? 0.633 -28.644 -30.222 1.00 61.80 ? 621 LMG B C17 1 +HETATM 51741 C C18 . LMG BC 33 . ? 1.243 -29.356 -29.032 1.00 64.82 ? 621 LMG B C18 1 +HETATM 51742 C C19 . LMG BC 33 . ? 1.387 -30.851 -29.284 1.00 65.55 ? 621 LMG B C19 1 +HETATM 51743 C C20 . LMG BC 33 . ? 2.812 -31.252 -28.942 1.00 67.91 ? 621 LMG B C20 1 +HETATM 51744 C C21 . LMG BC 33 . ? 2.970 -32.736 -28.674 1.00 63.36 ? 621 LMG B C21 1 +HETATM 51745 C C22 . LMG BC 33 . ? 4.459 -33.067 -28.712 1.00 71.27 ? 621 LMG B C22 1 +HETATM 51746 C C23 . LMG BC 33 . ? 4.828 -34.226 -27.791 1.00 74.17 ? 621 LMG B C23 1 +HETATM 51747 C C24 . LMG BC 33 . ? 6.100 -34.892 -28.306 1.00 64.61 ? 621 LMG B C24 1 +HETATM 51748 C C25 . LMG BC 33 . ? 6.613 -35.934 -27.339 1.00 74.86 ? 621 LMG B C25 1 +HETATM 51749 O O8 . LMG BC 33 . ? 6.287 -20.613 -31.266 1.00 93.80 ? 621 LMG B O8 1 +HETATM 51750 C C28 . LMG BC 33 . ? 7.732 -20.478 -31.132 1.00 86.53 ? 621 LMG B C28 1 +HETATM 51751 O O10 . LMG BC 33 . ? 8.172 -19.354 -30.991 1.00 93.74 ? 621 LMG B O10 1 +HETATM 51752 C C29 . LMG BC 33 . ? 8.677 -21.658 -31.155 1.00 68.20 ? 621 LMG B C29 1 +HETATM 51753 C C30 . LMG BC 33 . ? 7.869 -22.932 -31.228 1.00 68.79 ? 621 LMG B C30 1 +HETATM 51754 C C31 . LMG BC 33 . ? 7.254 -23.253 -29.884 1.00 70.83 ? 621 LMG B C31 1 +HETATM 51755 C C32 . LMG BC 33 . ? 8.289 -23.899 -28.983 1.00 75.83 ? 621 LMG B C32 1 +HETATM 51756 C C33 . LMG BC 33 . ? 7.568 -24.764 -27.963 1.00 66.25 ? 621 LMG B C33 1 +HETATM 51757 C C34 . LMG BC 33 . ? 8.532 -25.269 -26.906 1.00 70.63 ? 621 LMG B C34 1 +HETATM 51758 C C35 . LMG BC 33 . ? 9.395 -24.119 -26.437 1.00 68.05 ? 621 LMG B C35 1 +HETATM 51759 C C36 . LMG BC 33 . ? 10.176 -24.549 -25.221 1.00 66.06 ? 621 LMG B C36 1 +HETATM 51760 C C37 . LMG BC 33 . ? 9.666 -23.806 -24.000 1.00 65.75 ? 621 LMG B C37 1 +HETATM 51761 C C38 . LMG BC 33 . ? 10.391 -24.378 -22.790 1.00 95.21 ? 621 LMG B C38 1 +HETATM 51762 C C39 . LMG BC 33 . ? 9.501 -24.360 -21.563 1.00 81.74 ? 621 LMG B C39 1 +HETATM 51763 C C40 . LMG BC 33 . ? 8.917 -22.969 -21.429 1.00 87.99 ? 621 LMG B C40 1 +HETATM 51764 C C41 . LMG BC 33 . ? 8.019 -22.926 -20.205 1.00 106.17 ? 621 LMG B C41 1 +HETATM 51765 C C42 . LMG BC 33 . ? 8.489 -23.916 -19.144 1.00 98.28 ? 621 LMG B C42 1 +HETATM 51766 C C43 . LMG BC 33 . ? 7.694 -23.716 -17.870 1.00 116.85 ? 621 LMG B C43 1 +HETATM 51767 C C1 . HTG CC 34 . ? -13.313 -6.420 -23.056 1.00 126.01 ? 622 HTG B C1 1 +HETATM 51768 S S1 . HTG CC 34 . ? -14.368 -6.731 -21.637 1.00 83.42 ? 622 HTG B S1 1 +HETATM 51769 C C2 . HTG CC 34 . ? -13.606 -7.358 -24.254 1.00 90.57 ? 622 HTG B C2 1 +HETATM 51770 O O2 . HTG CC 34 . ? -13.021 -8.649 -24.058 1.00 69.15 ? 622 HTG B O2 1 +HETATM 51771 C C3 . HTG CC 34 . ? -13.049 -6.857 -25.581 1.00 99.29 ? 622 HTG B C3 1 +HETATM 51772 O O3 . HTG CC 34 . ? -13.634 -7.565 -26.682 1.00 79.13 ? 622 HTG B O3 1 +HETATM 51773 C C4 . HTG CC 34 . ? -13.346 -5.388 -25.777 1.00 105.33 ? 622 HTG B C4 1 +HETATM 51774 O O4 . HTG CC 34 . ? -12.700 -4.979 -26.987 1.00 106.71 ? 622 HTG B O4 1 +HETATM 51775 C C5 . HTG CC 34 . ? -12.812 -4.570 -24.613 1.00 109.64 ? 622 HTG B C5 1 +HETATM 51776 O O5 . HTG CC 34 . ? -13.389 -5.003 -23.371 1.00 121.33 ? 622 HTG B O5 1 +HETATM 51777 C C6 . HTG CC 34 . ? -13.128 -3.090 -24.862 1.00 118.56 ? 622 HTG B C6 1 +HETATM 51778 O O6 . HTG CC 34 . ? -14.547 -2.835 -24.938 1.00 102.67 ? 622 HTG B O6 1 +HETATM 51779 C "C1'" . HTG CC 34 . ? -13.434 -6.330 -20.198 1.00 61.29 ? 622 HTG B "C1'" 1 +HETATM 51780 C "C2'" . HTG CC 34 . ? -13.581 -7.545 -19.300 1.00 72.27 ? 622 HTG B "C2'" 1 +HETATM 51781 C "C3'" . HTG CC 34 . ? -12.626 -7.518 -18.122 1.00 86.85 ? 622 HTG B "C3'" 1 +HETATM 51782 C "C4'" . HTG CC 34 . ? -11.573 -8.596 -18.290 1.00 82.91 ? 622 HTG B "C4'" 1 +HETATM 51783 C "C5'" . HTG CC 34 . ? -11.316 -9.254 -16.947 1.00 83.98 ? 622 HTG B "C5'" 1 +HETATM 51784 C "C6'" . HTG CC 34 . ? -12.640 -9.642 -16.309 1.00 87.06 ? 622 HTG B "C6'" 1 +HETATM 51785 C "C7'" . HTG CC 34 . ? -12.430 -10.782 -15.339 1.00 95.57 ? 622 HTG B "C7'" 1 +HETATM 51786 C C1 . HTG DC 34 . ? -2.916 -10.971 -55.358 1.00 103.24 ? 623 HTG B C1 1 +HETATM 51787 S S1 . HTG DC 34 . ? -3.949 -11.603 -56.658 1.00 93.75 ? 623 HTG B S1 1 +HETATM 51788 C C2 . HTG DC 34 . ? -3.811 -10.232 -54.354 1.00 105.11 ? 623 HTG B C2 1 +HETATM 51789 O O2 . HTG DC 34 . ? -4.206 -8.972 -54.925 1.00 78.83 ? 623 HTG B O2 1 +HETATM 51790 C C3 . HTG DC 34 . ? -3.172 -9.984 -52.989 1.00 87.51 ? 623 HTG B C3 1 +HETATM 51791 O O3 . HTG DC 34 . ? -4.220 -9.682 -52.069 1.00 67.92 ? 623 HTG B O3 1 +HETATM 51792 C C4 . HTG DC 34 . ? -2.433 -11.215 -52.481 1.00 103.22 ? 623 HTG B C4 1 +HETATM 51793 O O4 . HTG DC 34 . ? -1.718 -10.898 -51.274 1.00 85.32 ? 623 HTG B O4 1 +HETATM 51794 C C5 . HTG DC 34 . ? -1.457 -11.694 -53.543 1.00 98.80 ? 623 HTG B C5 1 +HETATM 51795 O O5 . HTG DC 34 . ? -2.153 -12.032 -54.754 1.00 112.49 ? 623 HTG B O5 1 +HETATM 51796 C C6 . HTG DC 34 . ? -0.710 -12.914 -53.030 1.00 75.52 ? 623 HTG B C6 1 +HETATM 51797 O O6 . HTG DC 34 . ? 0.374 -13.179 -53.938 1.00 83.63 ? 623 HTG B O6 1 +HETATM 51798 C "C1'" . HTG DC 34 . ? -2.942 -12.175 -58.008 1.00 81.95 ? 623 HTG B "C1'" 1 +HETATM 51799 C "C2'" . HTG DC 34 . ? -1.917 -11.128 -58.450 1.00 93.44 ? 623 HTG B "C2'" 1 +HETATM 51800 C "C3'" . HTG DC 34 . ? -2.494 -10.094 -59.420 1.00 109.46 ? 623 HTG B "C3'" 1 +HETATM 51801 C "C4'" . HTG DC 34 . ? -1.413 -9.450 -60.300 1.00 108.50 ? 623 HTG B "C4'" 1 +HETATM 51802 C "C5'" . HTG DC 34 . ? -0.606 -8.404 -59.525 1.00 125.40 ? 623 HTG B "C5'" 1 +HETATM 51803 C "C6'" . HTG DC 34 . ? 0.877 -8.761 -59.439 1.00 107.28 ? 623 HTG B "C6'" 1 +HETATM 51804 C "C7'" . HTG DC 34 . ? 1.430 -9.137 -60.802 1.00 117.90 ? 623 HTG B "C7'" 1 +HETATM 51805 C C1 . GOL EC 27 . ? -8.421 -30.602 -55.781 1.00 70.77 ? 624 GOL B C1 1 +HETATM 51806 O O1 . GOL EC 27 . ? -9.350 -30.988 -56.741 1.00 86.52 ? 624 GOL B O1 1 +HETATM 51807 C C2 . GOL EC 27 . ? -7.657 -31.867 -55.427 1.00 72.73 ? 624 GOL B C2 1 +HETATM 51808 O O2 . GOL EC 27 . ? -8.524 -32.944 -55.285 1.00 91.63 ? 624 GOL B O2 1 +HETATM 51809 C C3 . GOL EC 27 . ? -6.747 -32.097 -56.641 1.00 85.53 ? 624 GOL B C3 1 +HETATM 51810 O O3 . GOL EC 27 . ? -7.183 -33.288 -57.229 1.00 73.88 ? 624 GOL B O3 1 +HETATM 51811 C C1 . HTG FC 34 . ? -22.208 -7.905 -16.743 1.00 70.79 ? 625 HTG B C1 1 +HETATM 51812 S S1 . HTG FC 34 . ? -21.581 -8.054 -15.099 1.00 88.23 ? 625 HTG B S1 1 +HETATM 51813 C C2 . HTG FC 34 . ? -23.710 -8.120 -16.811 1.00 93.28 ? 625 HTG B C2 1 +HETATM 51814 O O2 . HTG FC 34 . ? -24.009 -9.438 -16.337 1.00 82.82 ? 625 HTG B O2 1 +HETATM 51815 C C3 . HTG FC 34 . ? -24.193 -7.981 -18.248 1.00 85.45 ? 625 HTG B C3 1 +HETATM 51816 O O3 . HTG FC 34 . ? -25.627 -8.031 -18.248 1.00 105.42 ? 625 HTG B O3 1 +HETATM 51817 C C4 . HTG FC 34 . ? -23.737 -6.665 -18.866 1.00 84.37 ? 625 HTG B C4 1 +HETATM 51818 O O4 . HTG FC 34 . ? -23.875 -6.736 -20.291 1.00 86.65 ? 625 HTG B O4 1 +HETATM 51819 C C5 . HTG FC 34 . ? -22.282 -6.315 -18.562 1.00 91.63 ? 625 HTG B C5 1 +HETATM 51820 O O5 . HTG FC 34 . ? -21.879 -6.605 -17.215 1.00 82.25 ? 625 HTG B O5 1 +HETATM 51821 C C6 . HTG FC 34 . ? -22.085 -4.820 -18.792 1.00 81.20 ? 625 HTG B C6 1 +HETATM 51822 O O6 . HTG FC 34 . ? -22.081 -4.550 -20.194 1.00 96.47 ? 625 HTG B O6 1 +HETATM 51823 C "C1'" . HTG FC 34 . ? -19.853 -7.707 -15.239 1.00 72.77 ? 625 HTG B "C1'" 1 +HETATM 51824 C "C2'" . HTG FC 34 . ? -19.238 -7.389 -13.887 1.00 77.63 ? 625 HTG B "C2'" 1 +HETATM 51825 C "C3'" . HTG FC 34 . ? -17.897 -8.091 -13.732 1.00 73.24 ? 625 HTG B "C3'" 1 +HETATM 51826 C "C4'" . HTG FC 34 . ? -17.198 -7.620 -12.463 1.00 76.37 ? 625 HTG B "C4'" 1 +HETATM 51827 C "C5'" . HTG FC 34 . ? -16.109 -8.607 -12.065 1.00 68.57 ? 625 HTG B "C5'" 1 +HETATM 51828 C "C6'" . HTG FC 34 . ? -15.361 -8.106 -10.837 1.00 76.01 ? 625 HTG B "C6'" 1 +HETATM 51829 C "C7'" . HTG FC 34 . ? -15.159 -9.228 -9.836 1.00 98.97 ? 625 HTG B "C7'" 1 +HETATM 51830 C C10 . UNL GC 30 . ? -26.640 -19.887 -14.750 1.00 71.26 ? 626 UNL B C10 1 +HETATM 51831 C C11 . UNL GC 30 . ? -27.604 -21.032 -14.960 1.00 78.62 ? 626 UNL B C11 1 +HETATM 51832 C C12 . UNL GC 30 . ? -26.841 -22.335 -14.778 1.00 81.42 ? 626 UNL B C12 1 +HETATM 51833 C C13 . UNL GC 30 . ? -25.642 -22.359 -15.716 1.00 77.59 ? 626 UNL B C13 1 +HETATM 51834 C C14 . UNL GC 30 . ? -24.601 -23.407 -15.332 1.00 80.36 ? 626 UNL B C14 1 +HETATM 51835 C C15 . UNL GC 30 . ? -25.171 -24.809 -15.181 1.00 65.73 ? 626 UNL B C15 1 +HETATM 51836 C C16 . UNL GC 30 . ? -24.084 -25.850 -15.417 1.00 54.99 ? 626 UNL B C16 1 +HETATM 51837 C C17 . UNL GC 30 . ? -24.145 -26.943 -14.371 1.00 67.32 ? 626 UNL B C17 1 +HETATM 51838 C C18 . UNL GC 30 . ? -23.144 -28.030 -14.718 1.00 74.37 ? 626 UNL B C18 1 +HETATM 51839 C C19 . UNL GC 30 . ? -22.826 -28.915 -13.517 1.00 68.59 ? 626 UNL B C19 1 +HETATM 51840 C C20 . UNL GC 30 . ? -21.922 -28.159 -12.553 1.00 122.08 ? 626 UNL B C20 1 +HETATM 51841 C C21 . UNL GC 30 . ? -21.538 -29.008 -11.345 1.00 109.91 ? 626 UNL B C21 1 +HETATM 51842 C C22 . UNL GC 30 . ? -22.780 -29.516 -10.648 1.00 121.86 ? 626 UNL B C22 1 +HETATM 51843 C C23 . UNL GC 30 . ? -30.417 -20.683 -12.074 1.00 149.35 ? 626 UNL B C23 1 +HETATM 51844 C C24 . UNL GC 30 . ? -29.604 -21.968 -12.170 1.00 145.22 ? 626 UNL B C24 1 +HETATM 51845 C C25 . UNL GC 30 . ? -30.328 -23.155 -11.524 1.00 144.76 ? 626 UNL B C25 1 +HETATM 51846 C C26 . UNL GC 30 . ? -29.368 -24.176 -10.903 1.00 118.70 ? 626 UNL B C26 1 +HETATM 51847 C C27 . UNL GC 30 . ? -28.592 -24.949 -11.964 1.00 108.33 ? 626 UNL B C27 1 +HETATM 51848 C C28 . UNL GC 30 . ? -27.363 -25.634 -11.377 1.00 92.72 ? 626 UNL B C28 1 +HETATM 51849 C C29 . UNL GC 30 . ? -27.741 -26.763 -10.427 1.00 90.75 ? 626 UNL B C29 1 +HETATM 51850 C C30 . UNL GC 30 . ? -26.491 -27.476 -9.917 1.00 119.46 ? 626 UNL B C30 1 +HETATM 51851 C C31 . UNL GC 30 . ? -26.821 -28.482 -8.817 1.00 118.58 ? 626 UNL B C31 1 +HETATM 51852 C C4 . UNL GC 30 . ? -32.116 -18.412 -16.238 1.00 138.56 ? 626 UNL B C4 1 +HETATM 51853 C C5 . UNL GC 30 . ? -30.969 -18.589 -15.239 1.00 135.88 ? 626 UNL B C5 1 +HETATM 51854 C C6 . UNL GC 30 . ? -31.319 -19.665 -14.210 1.00 144.33 ? 626 UNL B C6 1 +HETATM 51855 C C7 . UNL GC 30 . ? -28.968 -17.920 -16.444 1.00 129.14 ? 626 UNL B C7 1 +HETATM 51856 C C8 . UNL GC 30 . ? -27.516 -17.870 -16.031 1.00 95.69 ? 626 UNL B C8 1 +HETATM 51857 C C9 . UNL GC 30 . ? -27.362 -18.545 -14.667 1.00 117.83 ? 626 UNL B C9 1 +HETATM 51858 O O10 . UNL GC 30 . ? -31.094 -20.456 -11.082 1.00 139.51 ? 626 UNL B O10 1 +HETATM 51859 O O6 . UNL GC 30 . ? -33.327 -18.078 -15.557 1.00 141.30 ? 626 UNL B O6 1 +HETATM 51860 O O7 . UNL GC 30 . ? -29.787 -19.009 -15.923 1.00 119.12 ? 626 UNL B O7 1 +HETATM 51861 O O8 . UNL GC 30 . ? -30.374 -19.666 -13.131 1.00 147.70 ? 626 UNL B O8 1 +HETATM 51862 O O9 . UNL GC 30 . ? -29.437 -17.086 -17.213 1.00 122.96 ? 626 UNL B O9 1 +HETATM 51863 C C1 . GOL HC 27 . ? -4.951 -49.012 -2.875 1.00 88.49 ? 627 GOL B C1 1 +HETATM 51864 O O1 . GOL HC 27 . ? -3.681 -49.308 -3.397 1.00 71.29 ? 627 GOL B O1 1 +HETATM 51865 C C2 . GOL HC 27 . ? -4.917 -47.584 -2.196 1.00 96.64 ? 627 GOL B C2 1 +HETATM 51866 O O2 . GOL HC 27 . ? -3.797 -47.397 -1.381 1.00 112.98 ? 627 GOL B O2 1 +HETATM 51867 C C3 . GOL HC 27 . ? -6.221 -47.544 -1.356 1.00 97.02 ? 627 GOL B C3 1 +HETATM 51868 O O3 . GOL HC 27 . ? -6.384 -48.834 -0.796 1.00 77.20 ? 627 GOL B O3 1 +HETATM 51869 C C1B . LMT IC 31 . ? -4.708 -70.450 -10.415 1.00 138.23 ? 628 LMT B C1B 1 +HETATM 51870 C C2B . LMT IC 31 . ? -3.179 -70.505 -10.691 1.00 130.99 ? 628 LMT B C2B 1 +HETATM 51871 C C3B . LMT IC 31 . ? -2.687 -71.803 -11.400 1.00 125.69 ? 628 LMT B C3B 1 +HETATM 51872 C C4B . LMT IC 31 . ? -3.555 -73.071 -11.192 1.00 116.70 ? 628 LMT B C4B 1 +HETATM 51873 C C5B . LMT IC 31 . ? -5.036 -72.698 -11.011 1.00 135.26 ? 628 LMT B C5B 1 +HETATM 51874 C C6B . LMT IC 31 . ? -5.830 -73.936 -10.607 1.00 107.79 ? 628 LMT B C6B 1 +HETATM 51875 O O1B . LMT IC 31 . ? -5.357 -69.925 -11.535 1.00 135.26 ? 628 LMT B O1B 1 +HETATM 51876 O O2B . LMT IC 31 . ? -2.883 -69.418 -11.485 1.00 147.32 ? 628 LMT B O2B 1 +HETATM 51877 O O3B . LMT IC 31 . ? -1.360 -72.061 -11.119 1.00 102.70 ? 628 LMT B O3B 1 +HETATM 51878 O "O4'" . LMT IC 31 . ? -3.416 -73.880 -12.295 1.00 86.81 ? 628 LMT B "O4'" 1 +HETATM 51879 O O5B . LMT IC 31 . ? -5.222 -71.694 -10.050 1.00 150.44 ? 628 LMT B O5B 1 +HETATM 51880 O O6B . LMT IC 31 . ? -6.388 -74.529 -11.711 1.00 123.64 ? 628 LMT B O6B 1 +HETATM 51881 C "C1'" . LMT IC 31 . ? -8.124 -67.123 -12.519 1.00 106.73 ? 628 LMT B "C1'" 1 +HETATM 51882 C "C2'" . LMT IC 31 . ? -7.878 -67.111 -10.993 1.00 137.17 ? 628 LMT B "C2'" 1 +HETATM 51883 C "C3'" . LMT IC 31 . ? -6.830 -68.203 -10.529 1.00 132.50 ? 628 LMT B "C3'" 1 +HETATM 51884 C "C4'" . LMT IC 31 . ? -6.698 -69.466 -11.450 1.00 127.26 ? 628 LMT B "C4'" 1 +HETATM 51885 C "C5'" . LMT IC 31 . ? -7.027 -69.024 -12.888 1.00 114.41 ? 628 LMT B "C5'" 1 +HETATM 51886 C "C6'" . LMT IC 31 . ? -6.902 -70.093 -13.958 1.00 123.01 ? 628 LMT B "C6'" 1 +HETATM 51887 O "O1'" . LMT IC 31 . ? -9.278 -66.478 -12.865 1.00 94.68 ? 628 LMT B "O1'" 1 +HETATM 51888 O "O2'" . LMT IC 31 . ? -7.436 -65.826 -10.617 1.00 130.22 ? 628 LMT B "O2'" 1 +HETATM 51889 O "O3'" . LMT IC 31 . ? -7.151 -68.605 -9.261 1.00 117.21 ? 628 LMT B "O3'" 1 +HETATM 51890 O "O5'" . LMT IC 31 . ? -8.290 -68.454 -12.921 1.00 101.04 ? 628 LMT B "O5'" 1 +HETATM 51891 O "O6'" . LMT IC 31 . ? -6.869 -71.323 -13.336 1.00 94.59 ? 628 LMT B "O6'" 1 +HETATM 51892 C C1 . LMT IC 31 . ? -9.346 -66.181 -14.246 1.00 95.05 ? 628 LMT B C1 1 +HETATM 51893 C C2 . LMT IC 31 . ? -9.887 -64.792 -14.343 1.00 67.60 ? 628 LMT B C2 1 +HETATM 51894 C C3 . LMT IC 31 . ? -9.790 -64.165 -15.680 1.00 76.22 ? 628 LMT B C3 1 +HETATM 51895 C C4 . LMT IC 31 . ? -11.113 -63.503 -15.950 1.00 83.67 ? 628 LMT B C4 1 +HETATM 51896 C C5 . LMT IC 31 . ? -11.068 -62.822 -17.274 1.00 82.60 ? 628 LMT B C5 1 +HETATM 51897 C C6 . LMT IC 31 . ? -12.293 -62.027 -17.531 1.00 86.66 ? 628 LMT B C6 1 +HETATM 51898 C C7 . LMT IC 31 . ? -13.490 -62.926 -17.462 1.00 89.11 ? 628 LMT B C7 1 +HETATM 51899 C C8 . LMT IC 31 . ? -14.255 -62.819 -18.737 1.00 79.32 ? 628 LMT B C8 1 +HETATM 51900 C C9 . LMT IC 31 . ? -13.789 -61.743 -19.648 1.00 79.30 ? 628 LMT B C9 1 +HETATM 51901 C C10 . LMT IC 31 . ? -14.966 -61.359 -20.496 1.00 97.01 ? 628 LMT B C10 1 +HETATM 51902 C C11 . LMT IC 31 . ? -15.288 -62.432 -21.483 1.00 87.86 ? 628 LMT B C11 1 +HETATM 51903 C C12 . LMT IC 31 . ? -15.713 -61.839 -22.783 1.00 89.95 ? 628 LMT B C12 1 +HETATM 51904 C C1 . GOL JC 27 . ? -15.166 -3.431 -21.298 1.00 97.37 ? 629 GOL B C1 1 +HETATM 51905 O O1 . GOL JC 27 . ? -15.052 -2.074 -21.694 1.00 93.24 ? 629 GOL B O1 1 +HETATM 51906 C C2 . GOL JC 27 . ? -16.587 -3.988 -21.666 1.00 79.10 ? 629 GOL B C2 1 +HETATM 51907 O O2 . GOL JC 27 . ? -17.344 -3.082 -22.392 1.00 74.65 ? 629 GOL B O2 1 +HETATM 51908 C C3 . GOL JC 27 . ? -17.262 -4.294 -20.308 1.00 81.13 ? 629 GOL B C3 1 +HETATM 51909 O O3 . GOL JC 27 . ? -18.099 -3.191 -20.070 1.00 77.01 ? 629 GOL B O3 1 +HETATM 51910 C C1B . LMT KC 31 . ? -6.609 -1.450 -28.167 1.00 143.18 ? 630 LMT B C1B 1 +HETATM 51911 C C2B . LMT KC 31 . ? -5.322 -0.596 -27.918 1.00 121.45 ? 630 LMT B C2B 1 +HETATM 51912 C C3B . LMT KC 31 . ? -5.648 0.780 -27.317 1.00 109.57 ? 630 LMT B C3B 1 +HETATM 51913 C C4B . LMT KC 31 . ? -6.709 1.491 -28.190 1.00 115.16 ? 630 LMT B C4B 1 +HETATM 51914 C C5B . LMT KC 31 . ? -7.941 0.571 -28.207 1.00 134.52 ? 630 LMT B C5B 1 +HETATM 51915 C C6B . LMT KC 31 . ? -9.079 1.263 -28.963 1.00 134.81 ? 630 LMT B C6B 1 +HETATM 51916 O O1B . LMT KC 31 . ? -7.007 -2.166 -27.021 1.00 114.26 ? 630 LMT B O1B 1 +HETATM 51917 O O2B . LMT KC 31 . ? -4.504 -1.299 -27.075 1.00 107.53 ? 630 LMT B O2B 1 +HETATM 51918 O O3B . LMT KC 31 . ? -4.507 1.534 -27.081 1.00 82.34 ? 630 LMT B O3B 1 +HETATM 51919 O "O4'" . LMT KC 31 . ? -7.065 2.726 -27.651 1.00 117.39 ? 630 LMT B "O4'" 1 +HETATM 51920 O O5B . LMT KC 31 . ? -7.680 -0.722 -28.740 1.00 156.52 ? 630 LMT B O5B 1 +HETATM 51921 O O6B . LMT KC 31 . ? -9.678 0.396 -29.854 1.00 148.57 ? 630 LMT B O6B 1 +HETATM 51922 C "C1'" . LMT KC 31 . ? -8.274 -5.340 -24.977 1.00 128.83 ? 630 LMT B "C1'" 1 +HETATM 51923 C "C2'" . LMT KC 31 . ? -7.151 -5.731 -25.979 1.00 125.21 ? 630 LMT B "C2'" 1 +HETATM 51924 C "C3'" . LMT KC 31 . ? -6.426 -4.442 -26.449 1.00 138.25 ? 630 LMT B "C3'" 1 +HETATM 51925 C "C4'" . LMT KC 31 . ? -7.381 -3.518 -27.237 1.00 143.83 ? 630 LMT B "C4'" 1 +HETATM 51926 C "C5'" . LMT KC 31 . ? -8.856 -3.749 -26.742 1.00 140.33 ? 630 LMT B "C5'" 1 +HETATM 51927 C "C6'" . LMT KC 31 . ? -9.757 -4.580 -27.662 1.00 150.35 ? 630 LMT B "C6'" 1 +HETATM 51928 O "O1'" . LMT KC 31 . ? -9.188 -6.362 -24.782 1.00 121.60 ? 630 LMT B "O1'" 1 +HETATM 51929 O "O2'" . LMT KC 31 . ? -6.243 -6.541 -25.352 1.00 121.03 ? 630 LMT B "O2'" 1 +HETATM 51930 O "O3'" . LMT KC 31 . ? -5.335 -4.758 -27.219 1.00 134.15 ? 630 LMT B "O3'" 1 +HETATM 51931 O "O5'" . LMT KC 31 . ? -8.970 -4.134 -25.363 1.00 127.85 ? 630 LMT B "O5'" 1 +HETATM 51932 O "O6'" . LMT KC 31 . ? -9.034 -4.885 -28.816 1.00 148.88 ? 630 LMT B "O6'" 1 +HETATM 51933 C C1 . LMT KC 31 . ? -9.262 -6.839 -23.434 1.00 106.83 ? 630 LMT B C1 1 +HETATM 51934 C C2 . LMT KC 31 . ? -9.935 -8.178 -23.501 1.00 73.43 ? 630 LMT B C2 1 +HETATM 51935 C C3 . LMT KC 31 . ? -9.979 -8.994 -22.246 1.00 66.21 ? 630 LMT B C3 1 +HETATM 51936 C C4 . LMT KC 31 . ? -8.573 -9.167 -21.674 1.00 68.89 ? 630 LMT B C4 1 +HETATM 51937 C C5 . LMT KC 31 . ? -8.522 -8.671 -20.249 1.00 70.32 ? 630 LMT B C5 1 +HETATM 51938 C C6 . LMT KC 31 . ? -7.619 -9.459 -19.343 1.00 72.76 ? 630 LMT B C6 1 +HETATM 51939 C C7 . LMT KC 31 . ? -7.421 -8.726 -18.029 1.00 81.16 ? 630 LMT B C7 1 +HETATM 51940 C C8 . LMT KC 31 . ? -7.711 -9.606 -16.848 1.00 74.58 ? 630 LMT B C8 1 +HETATM 51941 C C9 . LMT KC 31 . ? -6.497 -10.255 -16.228 1.00 119.29 ? 630 LMT B C9 1 +HETATM 51942 C C10 . LMT KC 31 . ? -6.785 -10.603 -14.773 1.00 103.34 ? 630 LMT B C10 1 +HETATM 51943 C C11 . LMT KC 31 . ? -5.644 -11.367 -14.143 1.00 104.29 ? 630 LMT B C11 1 +HETATM 51944 C C12 . LMT KC 31 . ? -5.787 -11.546 -12.653 1.00 94.25 ? 630 LMT B C12 1 +HETATM 51945 C C1B . LMT LC 31 . ? -0.284 -5.012 -31.129 1.00 126.20 ? 631 LMT B C1B 1 +HETATM 51946 O O1B . LMT LC 31 . ? -1.371 -5.690 -30.577 1.00 170.18 ? 631 LMT B O1B 1 +HETATM 51947 C "C1'" . LMT LC 31 . ? -2.378 -7.498 -26.884 1.00 110.65 ? 631 LMT B "C1'" 1 +HETATM 51948 C "C2'" . LMT LC 31 . ? -1.887 -6.039 -26.888 1.00 133.76 ? 631 LMT B "C2'" 1 +HETATM 51949 C "C3'" . LMT LC 31 . ? -2.118 -5.447 -28.293 1.00 150.16 ? 631 LMT B "C3'" 1 +HETATM 51950 C "C4'" . LMT LC 31 . ? -1.224 -6.223 -29.270 1.00 158.06 ? 631 LMT B "C4'" 1 +HETATM 51951 C "C5'" . LMT LC 31 . ? -1.779 -7.677 -29.250 1.00 130.94 ? 631 LMT B "C5'" 1 +HETATM 51952 C "C6'" . LMT LC 31 . ? -0.738 -8.767 -29.311 1.00 132.35 ? 631 LMT B "C6'" 1 +HETATM 51953 O "O1'" . LMT LC 31 . ? -1.450 -8.352 -26.338 1.00 114.56 ? 631 LMT B "O1'" 1 +HETATM 51954 O "O2'" . LMT LC 31 . ? -2.623 -5.318 -25.977 1.00 124.68 ? 631 LMT B "O2'" 1 +HETATM 51955 O "O3'" . LMT LC 31 . ? -1.857 -4.103 -28.321 1.00 142.19 ? 631 LMT B "O3'" 1 +HETATM 51956 O "O5'" . LMT LC 31 . ? -2.729 -7.933 -28.215 1.00 135.74 ? 631 LMT B "O5'" 1 +HETATM 51957 O "O6'" . LMT LC 31 . ? -0.616 -9.087 -30.641 1.00 147.88 ? 631 LMT B "O6'" 1 +HETATM 51958 C C1 . LMT LC 31 . ? -1.399 -8.329 -24.923 1.00 83.79 ? 631 LMT B C1 1 +HETATM 51959 C C2 . LMT LC 31 . ? -1.928 -9.668 -24.483 1.00 69.88 ? 631 LMT B C2 1 +HETATM 51960 C C3 . LMT LC 31 . ? -2.882 -9.632 -23.344 1.00 63.50 ? 631 LMT B C3 1 +HETATM 51961 C C4 . LMT LC 31 . ? -2.746 -10.893 -22.548 1.00 74.60 ? 631 LMT B C4 1 +HETATM 51962 C C5 . LMT LC 31 . ? -3.931 -11.039 -21.653 1.00 70.17 ? 631 LMT B C5 1 +HETATM 51963 C C6 . LMT LC 31 . ? -3.550 -11.301 -20.248 1.00 74.15 ? 631 LMT B C6 1 +HETATM 51964 C C7 . LMT LC 31 . ? -3.626 -12.775 -19.935 1.00 85.13 ? 631 LMT B C7 1 +HETATM 51965 C C8 . LMT LC 31 . ? -3.431 -12.953 -18.449 1.00 87.88 ? 631 LMT B C8 1 +HETATM 51966 C C9 . LMT LC 31 . ? -2.875 -14.283 -18.028 1.00 78.26 ? 631 LMT B C9 1 +HETATM 51967 C C10 . LMT LC 31 . ? -2.396 -14.147 -16.613 1.00 80.54 ? 631 LMT B C10 1 +HETATM 51968 C C11 . LMT LC 31 . ? -0.981 -14.616 -16.431 1.00 69.22 ? 631 LMT B C11 1 +HETATM 51969 C C12 . LMT LC 31 . ? -0.603 -14.612 -14.971 1.00 67.77 ? 631 LMT B C12 1 +HETATM 51970 C C1 . LMG MC 33 . ? 52.459 -32.739 -52.787 1.00 95.07 ? 501 LMG C C1 1 +HETATM 51971 O O1 . LMG MC 33 . ? 53.043 -33.882 -52.190 1.00 88.00 ? 501 LMG C O1 1 +HETATM 51972 C C2 . LMG MC 33 . ? 53.180 -31.425 -52.493 1.00 88.81 ? 501 LMG C C2 1 +HETATM 51973 O O2 . LMG MC 33 . ? 52.879 -31.025 -51.151 1.00 88.20 ? 501 LMG C O2 1 +HETATM 51974 C C3 . LMG MC 33 . ? 52.677 -30.299 -53.386 1.00 103.79 ? 501 LMG C C3 1 +HETATM 51975 O O3 . LMG MC 33 . ? 53.569 -29.177 -53.255 1.00 94.66 ? 501 LMG C O3 1 +HETATM 51976 C C4 . LMG MC 33 . ? 52.469 -30.743 -54.848 1.00 116.59 ? 501 LMG C C4 1 +HETATM 51977 O O4 . LMG MC 33 . ? 53.743 -30.828 -55.493 1.00 113.74 ? 501 LMG C O4 1 +HETATM 51978 C C5 . LMG MC 33 . ? 51.717 -32.088 -54.907 1.00 136.69 ? 501 LMG C C5 1 +HETATM 51979 O O5 . LMG MC 33 . ? 50.607 -33.921 -56.014 1.00 84.29 ? 501 LMG C O5 1 +HETATM 51980 C C6 . LMG MC 33 . ? 51.393 -32.724 -56.272 1.00 126.56 ? 501 LMG C C6 1 +HETATM 51981 O O6 . LMG MC 33 . ? 52.440 -33.058 -54.159 1.00 96.06 ? 501 LMG C O6 1 +HETATM 51982 C C7 . LMG MC 33 . ? 52.022 -34.866 -52.284 1.00 85.69 ? 501 LMG C C7 1 +HETATM 51983 C C8 . LMG MC 33 . ? 52.429 -36.112 -51.543 1.00 87.97 ? 501 LMG C C8 1 +HETATM 51984 C C9 . LMG MC 33 . ? 53.922 -36.294 -51.746 1.00 115.53 ? 501 LMG C C9 1 +HETATM 51985 O O7 . LMG MC 33 . ? 52.158 -35.955 -50.159 1.00 104.87 ? 501 LMG C O7 1 +HETATM 51986 C C10 . LMG MC 33 . ? 51.061 -36.809 -49.738 1.00 96.54 ? 501 LMG C C10 1 +HETATM 51987 O O9 . LMG MC 33 . ? 50.619 -37.626 -50.522 1.00 100.21 ? 501 LMG C O9 1 +HETATM 51988 C C11 . LMG MC 33 . ? 50.486 -36.705 -48.348 1.00 94.24 ? 501 LMG C C11 1 +HETATM 51989 C C12 . LMG MC 33 . ? 50.024 -38.105 -47.958 1.00 108.70 ? 501 LMG C C12 1 +HETATM 51990 C C13 . LMG MC 33 . ? 48.529 -38.293 -48.198 1.00 105.42 ? 501 LMG C C13 1 +HETATM 51991 C C14 . LMG MC 33 . ? 47.730 -37.899 -46.960 1.00 82.39 ? 501 LMG C C14 1 +HETATM 51992 C C15 . LMG MC 33 . ? 46.866 -39.061 -46.464 1.00 89.53 ? 501 LMG C C15 1 +HETATM 51993 C C16 . LMG MC 33 . ? 45.475 -38.958 -47.076 1.00 80.43 ? 501 LMG C C16 1 +HETATM 51994 C C17 . LMG MC 33 . ? 44.719 -40.271 -46.976 1.00 86.59 ? 501 LMG C C17 1 +HETATM 51995 C C18 . LMG MC 33 . ? 44.538 -40.685 -45.530 1.00 68.04 ? 501 LMG C C18 1 +HETATM 51996 C C19 . LMG MC 33 . ? 43.860 -42.049 -45.485 1.00 84.09 ? 501 LMG C C19 1 +HETATM 51997 C C20 . LMG MC 33 . ? 44.743 -43.105 -44.822 1.00 82.11 ? 501 LMG C C20 1 +HETATM 51998 C C21 . LMG MC 33 . ? 45.604 -43.808 -45.864 1.00 97.63 ? 501 LMG C C21 1 +HETATM 51999 C C22 . LMG MC 33 . ? 45.386 -45.319 -45.831 1.00 106.87 ? 501 LMG C C22 1 +HETATM 52000 C C23 . LMG MC 33 . ? 45.553 -45.847 -44.411 1.00 90.51 ? 501 LMG C C23 1 +HETATM 52001 C C24 . LMG MC 33 . ? 45.485 -47.373 -44.387 1.00 118.43 ? 501 LMG C C24 1 +HETATM 52002 C C25 . LMG MC 33 . ? 44.060 -47.879 -44.514 1.00 96.90 ? 501 LMG C C25 1 +HETATM 52003 O O8 . LMG MC 33 . ? 54.194 -37.690 -51.631 1.00 111.59 ? 501 LMG C O8 1 +HETATM 52004 C C28 . LMG MC 33 . ? 55.365 -38.208 -52.302 1.00 113.49 ? 501 LMG C C28 1 +HETATM 52005 O O10 . LMG MC 33 . ? 56.216 -37.418 -52.704 1.00 125.03 ? 501 LMG C O10 1 +HETATM 52006 C C29 . LMG MC 33 . ? 55.490 -39.700 -52.496 1.00 105.59 ? 501 LMG C C29 1 +HETATM 52007 C C30 . LMG MC 33 . ? 55.002 -40.408 -51.251 1.00 83.15 ? 501 LMG C C30 1 +HETATM 52008 C C31 . LMG MC 33 . ? 54.819 -41.879 -51.569 1.00 95.14 ? 501 LMG C C31 1 +HETATM 52009 C C32 . LMG MC 33 . ? 53.420 -42.151 -52.100 1.00 82.47 ? 501 LMG C C32 1 +HETATM 52010 C C33 . LMG MC 33 . ? 53.166 -43.648 -51.964 1.00 81.92 ? 501 LMG C C33 1 +HETATM 52011 C C34 . LMG MC 33 . ? 51.686 -44.011 -51.914 1.00 73.83 ? 501 LMG C C34 1 +HETATM 52012 C C35 . LMG MC 33 . ? 51.565 -45.489 -51.566 1.00 73.49 ? 501 LMG C C35 1 +HETATM 52013 C C36 . LMG MC 33 . ? 50.116 -45.939 -51.424 1.00 80.23 ? 501 LMG C C36 1 +HETATM 52014 C C37 . LMG MC 33 . ? 50.097 -47.449 -51.233 1.00 76.96 ? 501 LMG C C37 1 +HETATM 52015 C C38 . LMG MC 33 . ? 48.681 -48.007 -51.217 1.00 84.99 ? 501 LMG C C38 1 +HETATM 52016 C C39 . LMG MC 33 . ? 48.270 -48.302 -49.782 1.00 89.31 ? 501 LMG C C39 1 +HETATM 52017 C C40 . LMG MC 33 . ? 46.843 -48.825 -49.713 1.00 92.35 ? 501 LMG C C40 1 +HETATM 52018 C C41 . LMG MC 33 . ? 46.328 -48.801 -48.279 1.00 85.24 ? 501 LMG C C41 1 +HETATM 52019 C C42 . LMG MC 33 . ? 46.722 -50.077 -47.552 1.00 94.03 ? 501 LMG C C42 1 +HETATM 52020 C C43 . LMG MC 33 . ? 45.754 -50.360 -46.423 1.00 89.39 ? 501 LMG C C43 1 +HETATM 52021 MG MG . CLA NC 23 . ? 54.063 -57.248 -62.947 1.00 60.62 ? 502 CLA C MG 1 +HETATM 52022 C CHA . CLA NC 23 . ? 51.780 -57.211 -65.565 1.00 49.82 ? 502 CLA C CHA 1 +HETATM 52023 C CHB . CLA NC 23 . ? 52.928 -54.178 -62.074 1.00 55.56 ? 502 CLA C CHB 1 +HETATM 52024 C CHC . CLA NC 23 . ? 55.856 -57.569 -60.070 1.00 57.78 ? 502 CLA C CHC 1 +HETATM 52025 C CHD . CLA NC 23 . ? 54.651 -60.833 -63.661 1.00 56.97 ? 502 CLA C CHD 1 +HETATM 52026 N NA . CLA NC 23 . ? 52.593 -55.946 -63.648 1.00 58.55 ? 502 CLA C NA 1 +HETATM 52027 C C1A . CLA NC 23 . ? 51.867 -55.997 -64.713 1.00 53.96 ? 502 CLA C C1A 1 +HETATM 52028 C C2A . CLA NC 23 . ? 51.022 -54.793 -65.044 1.00 57.79 ? 502 CLA C C2A 1 +HETATM 52029 C C3A . CLA NC 23 . ? 51.434 -53.827 -63.951 1.00 50.19 ? 502 CLA C C3A 1 +HETATM 52030 C C4A . CLA NC 23 . ? 52.379 -54.709 -63.173 1.00 57.41 ? 502 CLA C C4A 1 +HETATM 52031 C CMA . CLA NC 23 . ? 52.195 -52.689 -64.621 1.00 56.76 ? 502 CLA C CMA 1 +HETATM 52032 C CAA . CLA NC 23 . ? 49.515 -55.075 -64.881 1.00 51.60 ? 502 CLA C CAA 1 +HETATM 52033 C CBA . CLA NC 23 . ? 49.103 -55.927 -63.674 1.00 54.16 ? 502 CLA C CBA 1 +HETATM 52034 C CGA . CLA NC 23 . ? 48.795 -55.093 -62.431 1.00 62.13 ? 502 CLA C CGA 1 +HETATM 52035 O O1A . CLA NC 23 . ? 47.899 -54.261 -62.396 1.00 54.87 ? 502 CLA C O1A 1 +HETATM 52036 O O2A . CLA NC 23 . ? 49.589 -55.286 -61.228 1.00 60.32 ? 502 CLA C O2A 1 +HETATM 52037 N NB . CLA NC 23 . ? 54.321 -56.051 -61.299 1.00 62.00 ? 502 CLA C NB 1 +HETATM 52038 C C1B . CLA NC 23 . ? 53.878 -54.802 -61.148 1.00 57.92 ? 502 CLA C C1B 1 +HETATM 52039 C C2B . CLA NC 23 . ? 54.428 -54.080 -59.969 1.00 62.53 ? 502 CLA C C2B 1 +HETATM 52040 C C3B . CLA NC 23 . ? 55.306 -55.099 -59.359 1.00 63.02 ? 502 CLA C C3B 1 +HETATM 52041 C C4B . CLA NC 23 . ? 55.154 -56.282 -60.268 1.00 62.99 ? 502 CLA C C4B 1 +HETATM 52042 C CMB . CLA NC 23 . ? 54.176 -52.682 -59.502 1.00 53.08 ? 502 CLA C CMB 1 +HETATM 52043 C CAB . CLA NC 23 . ? 56.136 -54.936 -58.135 1.00 58.96 ? 502 CLA C CAB 1 +HETATM 52044 C CBB . CLA NC 23 . ? 56.432 -55.960 -57.372 1.00 71.83 ? 502 CLA C CBB 1 +HETATM 52045 N NC . CLA NC 23 . ? 55.054 -58.855 -62.090 1.00 63.68 ? 502 CLA C NC 1 +HETATM 52046 C C1C . CLA NC 23 . ? 55.667 -58.786 -60.888 1.00 57.56 ? 502 CLA C C1C 1 +HETATM 52047 C C2C . CLA NC 23 . ? 56.177 -60.092 -60.380 1.00 63.05 ? 502 CLA C C2C 1 +HETATM 52048 C C3C . CLA NC 23 . ? 55.812 -61.042 -61.441 1.00 62.66 ? 502 CLA C C3C 1 +HETATM 52049 C C4C . CLA NC 23 . ? 55.135 -60.173 -62.436 1.00 60.66 ? 502 CLA C C4C 1 +HETATM 52050 C CMC . CLA NC 23 . ? 56.895 -60.401 -59.095 1.00 62.59 ? 502 CLA C CMC 1 +HETATM 52051 C CAC . CLA NC 23 . ? 56.062 -62.531 -61.490 1.00 66.01 ? 502 CLA C CAC 1 +HETATM 52052 C CBC . CLA NC 23 . ? 54.808 -63.166 -60.923 1.00 60.58 ? 502 CLA C CBC 1 +HETATM 52053 N ND . CLA NC 23 . ? 53.413 -58.723 -64.189 1.00 54.39 ? 502 CLA C ND 1 +HETATM 52054 C C1D . CLA NC 23 . ? 53.731 -60.081 -64.519 1.00 62.57 ? 502 CLA C C1D 1 +HETATM 52055 C C2D . CLA NC 23 . ? 53.086 -60.620 -65.740 1.00 57.07 ? 502 CLA C C2D 1 +HETATM 52056 C C3D . CLA NC 23 . ? 52.300 -59.427 -66.151 1.00 56.33 ? 502 CLA C C3D 1 +HETATM 52057 C C4D . CLA NC 23 . ? 52.550 -58.424 -65.230 1.00 65.71 ? 502 CLA C C4D 1 +HETATM 52058 C CMD . CLA NC 23 . ? 53.102 -61.934 -66.464 1.00 53.47 ? 502 CLA C CMD 1 +HETATM 52059 C CAD . CLA NC 23 . ? 51.340 -58.878 -67.139 1.00 58.30 ? 502 CLA C CAD 1 +HETATM 52060 O OBD . CLA NC 23 . ? 50.900 -59.543 -68.134 1.00 62.64 ? 502 CLA C OBD 1 +HETATM 52061 C CBD . CLA NC 23 . ? 51.004 -57.462 -66.811 1.00 65.16 ? 502 CLA C CBD 1 +HETATM 52062 C CGD . CLA NC 23 . ? 51.538 -56.589 -67.907 1.00 55.10 ? 502 CLA C CGD 1 +HETATM 52063 O O1D . CLA NC 23 . ? 52.653 -56.109 -67.886 1.00 75.80 ? 502 CLA C O1D 1 +HETATM 52064 O O2D . CLA NC 23 . ? 50.774 -56.300 -69.075 1.00 75.42 ? 502 CLA C O2D 1 +HETATM 52065 C CED . CLA NC 23 . ? 51.526 -55.988 -70.257 1.00 62.86 ? 502 CLA C CED 1 +HETATM 52066 C C1 . CLA NC 23 . ? 49.462 -54.432 -60.091 1.00 60.22 ? 502 CLA C C1 1 +HETATM 52067 C C2 . CLA NC 23 . ? 50.670 -54.654 -59.208 1.00 51.74 ? 502 CLA C C2 1 +HETATM 52068 C C3 . CLA NC 23 . ? 50.569 -54.951 -57.905 1.00 62.44 ? 502 CLA C C3 1 +HETATM 52069 C C4 . CLA NC 23 . ? 49.226 -55.050 -57.242 1.00 58.77 ? 502 CLA C C4 1 +HETATM 52070 C C5 . CLA NC 23 . ? 51.817 -55.169 -57.074 1.00 57.26 ? 502 CLA C C5 1 +HETATM 52071 C C6 . CLA NC 23 . ? 52.162 -54.003 -56.152 1.00 53.72 ? 502 CLA C C6 1 +HETATM 52072 C C7 . CLA NC 23 . ? 53.349 -54.359 -55.261 1.00 64.56 ? 502 CLA C C7 1 +HETATM 52073 C C8 . CLA NC 23 . ? 53.613 -53.289 -54.206 1.00 64.03 ? 502 CLA C C8 1 +HETATM 52074 C C9 . CLA NC 23 . ? 53.905 -51.948 -54.871 1.00 57.73 ? 502 CLA C C9 1 +HETATM 52075 C C10 . CLA NC 23 . ? 54.784 -53.701 -53.316 1.00 63.44 ? 502 CLA C C10 1 +HETATM 52076 C C11 . CLA NC 23 . ? 54.372 -54.763 -52.301 1.00 65.53 ? 502 CLA C C11 1 +HETATM 52077 C C12 . CLA NC 23 . ? 55.435 -54.977 -51.220 1.00 65.69 ? 502 CLA C C12 1 +HETATM 52078 C C13 . CLA NC 23 . ? 54.999 -56.120 -50.305 1.00 70.01 ? 502 CLA C C13 1 +HETATM 52079 C C14 . CLA NC 23 . ? 53.964 -55.682 -49.275 1.00 63.49 ? 502 CLA C C14 1 +HETATM 52080 C C15 . CLA NC 23 . ? 56.199 -56.794 -49.638 1.00 69.25 ? 502 CLA C C15 1 +HETATM 52081 C C16 . CLA NC 23 . ? 57.170 -55.837 -48.953 1.00 74.92 ? 502 CLA C C16 1 +HETATM 52082 C C17 . CLA NC 23 . ? 57.883 -56.621 -47.850 1.00 70.59 ? 502 CLA C C17 1 +HETATM 52083 C C18 . CLA NC 23 . ? 59.202 -55.997 -47.388 1.00 75.50 ? 502 CLA C C18 1 +HETATM 52084 C C19 . CLA NC 23 . ? 59.622 -56.514 -46.020 1.00 74.95 ? 502 CLA C C19 1 +HETATM 52085 C C20 . CLA NC 23 . ? 59.153 -54.486 -47.327 1.00 81.06 ? 502 CLA C C20 1 +HETATM 52086 MG MG . CLA OC 23 . ? 42.516 -61.495 -58.175 1.00 56.14 ? 503 CLA C MG 1 +HETATM 52087 C CHA . CLA OC 23 . ? 44.287 -59.910 -60.687 1.00 45.06 ? 503 CLA C CHA 1 +HETATM 52088 C CHB . CLA OC 23 . ? 41.091 -63.478 -60.570 1.00 49.90 ? 503 CLA C CHB 1 +HETATM 52089 C CHC . CLA OC 23 . ? 41.213 -63.387 -55.632 1.00 50.60 ? 503 CLA C CHC 1 +HETATM 52090 C CHD . CLA OC 23 . ? 44.715 -59.856 -55.721 1.00 51.56 ? 503 CLA C CHD 1 +HETATM 52091 N NA . CLA OC 23 . ? 42.682 -61.703 -60.253 1.00 52.17 ? 503 CLA C NA 1 +HETATM 52092 C C1A . CLA OC 23 . ? 43.312 -60.973 -61.098 1.00 50.68 ? 503 CLA C C1A 1 +HETATM 52093 C C2A . CLA OC 23 . ? 43.107 -61.263 -62.564 1.00 54.14 ? 503 CLA C C2A 1 +HETATM 52094 C C3A . CLA OC 23 . ? 42.086 -62.396 -62.518 1.00 52.57 ? 503 CLA C C3A 1 +HETATM 52095 C C4A . CLA OC 23 . ? 41.936 -62.532 -61.017 1.00 56.11 ? 503 CLA C C4A 1 +HETATM 52096 C CMA . CLA OC 23 . ? 40.805 -62.016 -63.280 1.00 51.57 ? 503 CLA C CMA 1 +HETATM 52097 C CAA . CLA OC 23 . ? 44.409 -61.756 -63.212 1.00 50.74 ? 503 CLA C CAA 1 +HETATM 52098 C CBA . CLA OC 23 . ? 45.023 -62.938 -62.445 1.00 55.99 ? 503 CLA C CBA 1 +HETATM 52099 C CGA . CLA OC 23 . ? 46.473 -63.143 -62.864 1.00 63.40 ? 503 CLA C CGA 1 +HETATM 52100 O O1A . CLA OC 23 . ? 46.856 -63.023 -64.034 1.00 59.69 ? 503 CLA C O1A 1 +HETATM 52101 O O2A . CLA OC 23 . ? 47.454 -63.461 -61.854 1.00 61.59 ? 503 CLA C O2A 1 +HETATM 52102 N NB . CLA OC 23 . ? 41.352 -63.174 -58.124 1.00 52.22 ? 503 CLA C NB 1 +HETATM 52103 C C1B . CLA OC 23 . ? 40.803 -63.821 -59.166 1.00 47.00 ? 503 CLA C C1B 1 +HETATM 52104 C C2B . CLA OC 23 . ? 39.890 -64.942 -58.793 1.00 56.52 ? 503 CLA C C2B 1 +HETATM 52105 C C3B . CLA OC 23 . ? 39.956 -64.893 -57.309 1.00 50.38 ? 503 CLA C C3B 1 +HETATM 52106 C C4B . CLA OC 23 . ? 40.876 -63.764 -57.021 1.00 57.39 ? 503 CLA C C4B 1 +HETATM 52107 C CMB . CLA OC 23 . ? 39.101 -65.895 -59.658 1.00 52.82 ? 503 CLA C CMB 1 +HETATM 52108 C CAB . CLA OC 23 . ? 39.275 -65.741 -56.306 1.00 52.73 ? 503 CLA C CAB 1 +HETATM 52109 C CBB . CLA OC 23 . ? 37.981 -65.970 -56.403 1.00 68.02 ? 503 CLA C CBB 1 +HETATM 52110 N NC . CLA OC 23 . ? 42.939 -61.630 -56.146 1.00 57.68 ? 503 CLA C NC 1 +HETATM 52111 C C1C . CLA OC 23 . ? 42.213 -62.371 -55.274 1.00 54.68 ? 503 CLA C C1C 1 +HETATM 52112 C C2C . CLA OC 23 . ? 42.481 -62.104 -53.829 1.00 49.47 ? 503 CLA C C2C 1 +HETATM 52113 C C3C . CLA OC 23 . ? 43.511 -61.060 -53.881 1.00 50.66 ? 503 CLA C C3C 1 +HETATM 52114 C C4C . CLA OC 23 . ? 43.707 -60.857 -55.337 1.00 45.89 ? 503 CLA C C4C 1 +HETATM 52115 C CMC . CLA OC 23 . ? 41.868 -62.729 -52.602 1.00 51.54 ? 503 CLA C CMC 1 +HETATM 52116 C CAC . CLA OC 23 . ? 44.195 -60.372 -52.727 1.00 59.46 ? 503 CLA C CAC 1 +HETATM 52117 C CBC . CLA OC 23 . ? 43.221 -59.322 -52.221 1.00 54.44 ? 503 CLA C CBC 1 +HETATM 52118 N ND . CLA OC 23 . ? 44.134 -60.275 -58.121 1.00 51.16 ? 503 CLA C ND 1 +HETATM 52119 C C1D . CLA OC 23 . ? 44.887 -59.544 -57.136 1.00 47.04 ? 503 CLA C C1D 1 +HETATM 52120 C C2D . CLA OC 23 . ? 45.796 -58.507 -57.662 1.00 48.32 ? 503 CLA C C2D 1 +HETATM 52121 C C3D . CLA OC 23 . ? 45.517 -58.658 -59.125 1.00 49.89 ? 503 CLA C C3D 1 +HETATM 52122 C C4D . CLA OC 23 . ? 44.570 -59.658 -59.274 1.00 43.90 ? 503 CLA C C4D 1 +HETATM 52123 C CMD . CLA OC 23 . ? 46.742 -57.515 -57.042 1.00 54.29 ? 503 CLA C CMD 1 +HETATM 52124 C CAD . CLA OC 23 . ? 45.847 -58.178 -60.491 1.00 51.71 ? 503 CLA C CAD 1 +HETATM 52125 O OBD . CLA OC 23 . ? 46.670 -57.231 -60.743 1.00 56.27 ? 503 CLA C OBD 1 +HETATM 52126 C CBD . CLA OC 23 . ? 45.052 -58.924 -61.498 1.00 48.41 ? 503 CLA C CBD 1 +HETATM 52127 C CGD . CLA OC 23 . ? 44.064 -57.944 -62.102 1.00 55.52 ? 503 CLA C CGD 1 +HETATM 52128 O O1D . CLA OC 23 . ? 43.616 -58.051 -63.235 1.00 53.02 ? 503 CLA C O1D 1 +HETATM 52129 O O2D . CLA OC 23 . ? 43.589 -56.812 -61.338 1.00 58.23 ? 503 CLA C O2D 1 +HETATM 52130 C CED . CLA OC 23 . ? 42.567 -55.986 -61.903 1.00 47.84 ? 503 CLA C CED 1 +HETATM 52131 C C1 . CLA OC 23 . ? 48.840 -63.522 -62.188 1.00 65.10 ? 503 CLA C C1 1 +HETATM 52132 C C2 . CLA OC 23 . ? 49.276 -64.968 -62.325 1.00 69.82 ? 503 CLA C C2 1 +HETATM 52133 C C3 . CLA OC 23 . ? 50.301 -65.436 -61.584 1.00 72.95 ? 503 CLA C C3 1 +HETATM 52134 C C4 . CLA OC 23 . ? 51.009 -64.509 -60.628 1.00 63.50 ? 503 CLA C C4 1 +HETATM 52135 C C5 . CLA OC 23 . ? 50.765 -66.876 -61.721 1.00 67.24 ? 503 CLA C C5 1 +HETATM 52136 C C6 . CLA OC 23 . ? 52.042 -67.002 -62.551 1.00 71.23 ? 503 CLA C C6 1 +HETATM 52137 C C7 . CLA OC 23 . ? 52.002 -66.171 -63.833 1.00 66.39 ? 503 CLA C C7 1 +HETATM 52138 C C8 . CLA OC 23 . ? 53.314 -66.241 -64.598 1.00 65.80 ? 503 CLA C C8 1 +HETATM 52139 C C9 . CLA OC 23 . ? 54.416 -65.451 -63.913 1.00 64.74 ? 503 CLA C C9 1 +HETATM 52140 C C10 . CLA OC 23 . ? 53.021 -65.705 -65.994 1.00 69.60 ? 503 CLA C C10 1 +HETATM 52141 C C11 . CLA OC 23 . ? 54.215 -65.623 -66.935 1.00 61.79 ? 503 CLA C C11 1 +HETATM 52142 C C12 . CLA OC 23 . ? 53.642 -65.183 -68.279 1.00 73.13 ? 503 CLA C C12 1 +HETATM 52143 C C13 . CLA OC 23 . ? 54.698 -64.909 -69.343 1.00 72.12 ? 503 CLA C C13 1 +HETATM 52144 C C14 . CLA OC 23 . ? 54.037 -64.269 -70.550 1.00 71.66 ? 503 CLA C C14 1 +HETATM 52145 C C15 . CLA OC 23 . ? 55.362 -66.238 -69.688 1.00 91.36 ? 503 CLA C C15 1 +HETATM 52146 C C16 . CLA OC 23 . ? 55.631 -66.475 -71.170 1.00 77.71 ? 503 CLA C C16 1 +HETATM 52147 C C17 . CLA OC 23 . ? 57.107 -66.245 -71.472 1.00 87.38 ? 503 CLA C C17 1 +HETATM 52148 C C18 . CLA OC 23 . ? 57.662 -67.318 -72.398 1.00 88.62 ? 503 CLA C C18 1 +HETATM 52149 C C19 . CLA OC 23 . ? 59.156 -67.459 -72.149 1.00 91.04 ? 503 CLA C C19 1 +HETATM 52150 C C20 . CLA OC 23 . ? 57.386 -66.981 -73.860 1.00 84.51 ? 503 CLA C C20 1 +HETATM 52151 MG MG . CLA PC 23 . ? 49.153 -68.900 -65.134 1.00 60.26 ? 504 CLA C MG 1 +HETATM 52152 C CHA . CLA PC 23 . ? 46.946 -66.332 -65.919 1.00 55.85 ? 504 CLA C CHA 1 +HETATM 52153 C CHB . CLA PC 23 . ? 50.988 -67.971 -67.826 1.00 62.55 ? 504 CLA C CHB 1 +HETATM 52154 C CHC . CLA PC 23 . ? 51.677 -70.845 -63.887 1.00 60.97 ? 504 CLA C CHC 1 +HETATM 52155 C CHD . CLA PC 23 . ? 47.409 -69.171 -61.882 1.00 64.52 ? 504 CLA C CHD 1 +HETATM 52156 N NA . CLA PC 23 . ? 49.046 -67.391 -66.580 1.00 59.67 ? 504 CLA C NA 1 +HETATM 52157 C C1A . CLA PC 23 . ? 48.109 -66.543 -66.835 1.00 65.17 ? 504 CLA C C1A 1 +HETATM 52158 C C2A . CLA PC 23 . ? 48.185 -65.768 -68.135 1.00 64.39 ? 504 CLA C C2A 1 +HETATM 52159 C C3A . CLA PC 23 . ? 49.501 -66.283 -68.706 1.00 60.78 ? 504 CLA C C3A 1 +HETATM 52160 C C4A . CLA PC 23 . ? 49.862 -67.284 -67.636 1.00 64.64 ? 504 CLA C C4A 1 +HETATM 52161 C CMA . CLA PC 23 . ? 49.321 -66.899 -70.090 1.00 60.74 ? 504 CLA C CMA 1 +HETATM 52162 C CAA . CLA PC 23 . ? 48.200 -64.232 -67.993 1.00 54.35 ? 504 CLA C CAA 1 +HETATM 52163 C CBA . CLA PC 23 . ? 49.255 -63.667 -67.046 1.00 63.86 ? 504 CLA C CBA 1 +HETATM 52164 C CGA . CLA PC 23 . ? 48.843 -62.312 -66.486 1.00 53.78 ? 504 CLA C CGA 1 +HETATM 52165 O O1A . CLA PC 23 . ? 48.039 -61.565 -67.026 1.00 56.41 ? 504 CLA C O1A 1 +HETATM 52166 O O2A . CLA PC 23 . ? 49.393 -61.860 -65.232 1.00 60.98 ? 504 CLA C O2A 1 +HETATM 52167 N NB . CLA PC 23 . ? 51.048 -69.333 -65.763 1.00 65.65 ? 504 CLA C NB 1 +HETATM 52168 C C1B . CLA PC 23 . ? 51.605 -68.950 -66.916 1.00 68.50 ? 504 CLA C C1B 1 +HETATM 52169 C C2B . CLA PC 23 . ? 52.933 -69.549 -67.199 1.00 65.11 ? 504 CLA C C2B 1 +HETATM 52170 C C3B . CLA PC 23 . ? 53.137 -70.398 -66.014 1.00 71.29 ? 504 CLA C C3B 1 +HETATM 52171 C C4B . CLA PC 23 . ? 51.913 -70.185 -65.186 1.00 59.87 ? 504 CLA C C4B 1 +HETATM 52172 C CMB . CLA PC 23 . ? 53.849 -69.367 -68.375 1.00 74.41 ? 504 CLA C CMB 1 +HETATM 52173 C CAB . CLA PC 23 . ? 54.314 -71.269 -65.775 1.00 72.96 ? 504 CLA C CAB 1 +HETATM 52174 C CBB . CLA PC 23 . ? 54.847 -71.422 -64.594 1.00 88.98 ? 504 CLA C CBB 1 +HETATM 52175 N NC . CLA PC 23 . ? 49.445 -69.822 -63.301 1.00 68.12 ? 504 CLA C NC 1 +HETATM 52176 C C1C . CLA PC 23 . ? 50.563 -70.518 -62.975 1.00 62.68 ? 504 CLA C C1C 1 +HETATM 52177 C C2C . CLA PC 23 . ? 50.611 -70.968 -61.557 1.00 66.02 ? 504 CLA C C2C 1 +HETATM 52178 C C3C . CLA PC 23 . ? 49.349 -70.456 -60.977 1.00 72.46 ? 504 CLA C C3C 1 +HETATM 52179 C C4C . CLA PC 23 . ? 48.727 -69.783 -62.143 1.00 66.85 ? 504 CLA C C4C 1 +HETATM 52180 C CMC . CLA PC 23 . ? 51.689 -71.731 -60.847 1.00 70.44 ? 504 CLA C CMC 1 +HETATM 52181 C CAC . CLA PC 23 . ? 48.802 -70.569 -59.564 1.00 59.30 ? 504 CLA C CAC 1 +HETATM 52182 C CBC . CLA PC 23 . ? 49.129 -69.261 -58.857 1.00 61.66 ? 504 CLA C CBC 1 +HETATM 52183 N ND . CLA PC 23 . ? 47.654 -68.003 -64.056 1.00 62.11 ? 504 CLA C ND 1 +HETATM 52184 C C1D . CLA PC 23 . ? 46.899 -68.229 -62.865 1.00 52.65 ? 504 CLA C C1D 1 +HETATM 52185 C C2D . CLA PC 23 . ? 45.636 -67.475 -62.720 1.00 57.76 ? 504 CLA C C2D 1 +HETATM 52186 C C3D . CLA PC 23 . ? 45.681 -66.703 -63.982 1.00 51.10 ? 504 CLA C C3D 1 +HETATM 52187 C C4D . CLA PC 23 . ? 46.838 -67.063 -64.654 1.00 51.28 ? 504 CLA C C4D 1 +HETATM 52188 C CMD . CLA PC 23 . ? 44.537 -67.377 -61.692 1.00 57.10 ? 504 CLA C CMD 1 +HETATM 52189 C CAD . CLA PC 23 . ? 44.974 -65.703 -64.807 1.00 56.50 ? 504 CLA C CAD 1 +HETATM 52190 O OBD . CLA PC 23 . ? 43.861 -65.160 -64.495 1.00 63.30 ? 504 CLA C OBD 1 +HETATM 52191 C CBD . CLA PC 23 . ? 45.756 -65.445 -66.040 1.00 67.14 ? 504 CLA C CBD 1 +HETATM 52192 C CGD . CLA PC 23 . ? 44.950 -65.798 -67.252 1.00 65.62 ? 504 CLA C CGD 1 +HETATM 52193 O O1D . CLA PC 23 . ? 44.712 -64.993 -68.143 1.00 58.92 ? 504 CLA C O1D 1 +HETATM 52194 O O2D . CLA PC 23 . ? 44.441 -67.131 -67.399 1.00 55.91 ? 504 CLA C O2D 1 +HETATM 52195 C CED . CLA PC 23 . ? 44.239 -67.552 -68.733 1.00 56.95 ? 504 CLA C CED 1 +HETATM 52196 C C1 . CLA PC 23 . ? 49.105 -60.538 -64.795 1.00 59.11 ? 504 CLA C C1 1 +HETATM 52197 C C2 . CLA PC 23 . ? 50.174 -60.091 -63.825 1.00 62.10 ? 504 CLA C C2 1 +HETATM 52198 C C3 . CLA PC 23 . ? 49.866 -59.836 -62.544 1.00 66.19 ? 504 CLA C C3 1 +HETATM 52199 C C4 . CLA PC 23 . ? 48.443 -59.979 -62.081 1.00 54.28 ? 504 CLA C C4 1 +HETATM 52200 C C5 . CLA PC 23 . ? 50.951 -59.366 -61.598 1.00 52.81 ? 504 CLA C C5 1 +HETATM 52201 C C6 . CLA PC 23 . ? 51.581 -60.460 -60.763 1.00 64.90 ? 504 CLA C C6 1 +HETATM 52202 C C7 . CLA PC 23 . ? 52.490 -59.883 -59.674 1.00 75.85 ? 504 CLA C C7 1 +HETATM 52203 C C8 . CLA PC 23 . ? 51.726 -59.071 -58.631 1.00 70.90 ? 504 CLA C C8 1 +HETATM 52204 C C9 . CLA PC 23 . ? 52.641 -58.715 -57.459 1.00 67.44 ? 504 CLA C C9 1 +HETATM 52205 C C10 . CLA PC 23 . ? 50.486 -59.831 -58.135 1.00 69.64 ? 504 CLA C C10 1 +HETATM 52206 C C11 . CLA PC 23 . ? 50.803 -61.067 -57.298 1.00 58.01 ? 504 CLA C C11 1 +HETATM 52207 C C12 . CLA PC 23 . ? 49.672 -62.098 -57.340 1.00 62.22 ? 504 CLA C C12 1 +HETATM 52208 C C13 . CLA PC 23 . ? 48.345 -61.602 -56.766 1.00 62.53 ? 504 CLA C C13 1 +HETATM 52209 C C14 . CLA PC 23 . ? 48.434 -61.244 -55.286 1.00 52.68 ? 504 CLA C C14 1 +HETATM 52210 C C15 . CLA PC 23 . ? 47.252 -62.656 -56.963 1.00 73.40 ? 504 CLA C C15 1 +HETATM 52211 C C16 . CLA PC 23 . ? 46.789 -62.842 -58.405 1.00 61.24 ? 504 CLA C C16 1 +HETATM 52212 C C17 . CLA PC 23 . ? 45.470 -63.622 -58.482 1.00 59.45 ? 504 CLA C C17 1 +HETATM 52213 C C18 . CLA PC 23 . ? 45.630 -65.091 -58.081 1.00 69.86 ? 504 CLA C C18 1 +HETATM 52214 C C19 . CLA PC 23 . ? 46.779 -65.760 -58.834 1.00 55.47 ? 504 CLA C C19 1 +HETATM 52215 C C20 . CLA PC 23 . ? 44.312 -65.849 -58.253 1.00 46.90 ? 504 CLA C C20 1 +HETATM 52216 MG MG . CLA QC 23 . ? 33.259 -64.710 -63.521 1.00 54.81 ? 505 CLA C MG 1 +HETATM 52217 C CHA . CLA QC 23 . ? 30.669 -64.445 -65.847 1.00 55.74 ? 505 CLA C CHA 1 +HETATM 52218 C CHB . CLA QC 23 . ? 33.570 -61.359 -63.574 1.00 54.37 ? 505 CLA C CHB 1 +HETATM 52219 C CHC . CLA QC 23 . ? 35.193 -65.000 -60.698 1.00 55.22 ? 505 CLA C CHC 1 +HETATM 52220 C CHD . CLA QC 23 . ? 32.509 -68.285 -63.262 1.00 53.79 ? 505 CLA C CHD 1 +HETATM 52221 N NA . CLA QC 23 . ? 32.266 -63.161 -64.496 1.00 60.52 ? 505 CLA C NA 1 +HETATM 52222 C C1A . CLA QC 23 . ? 31.369 -63.187 -65.424 1.00 51.57 ? 505 CLA C C1A 1 +HETATM 52223 C C2A . CLA QC 23 . ? 30.948 -61.849 -65.979 1.00 54.20 ? 505 CLA C C2A 1 +HETATM 52224 C C3A . CLA QC 23 . ? 31.924 -60.908 -65.302 1.00 47.76 ? 505 CLA C C3A 1 +HETATM 52225 C C4A . CLA QC 23 . ? 32.640 -61.869 -64.402 1.00 52.27 ? 505 CLA C C4A 1 +HETATM 52226 C CMA . CLA QC 23 . ? 32.906 -60.428 -66.373 1.00 49.89 ? 505 CLA C CMA 1 +HETATM 52227 C CAA . CLA QC 23 . ? 29.548 -61.507 -65.413 1.00 42.49 ? 505 CLA C CAA 1 +HETATM 52228 C CBA . CLA QC 23 . ? 29.434 -61.674 -63.890 1.00 55.62 ? 505 CLA C CBA 1 +HETATM 52229 C CGA . CLA QC 23 . ? 28.034 -61.551 -63.299 1.00 47.26 ? 505 CLA C CGA 1 +HETATM 52230 O O1A . CLA QC 23 . ? 27.015 -61.328 -63.946 1.00 54.68 ? 505 CLA C O1A 1 +HETATM 52231 O O2A . CLA QC 23 . ? 27.932 -61.711 -61.883 1.00 54.69 ? 505 CLA C O2A 1 +HETATM 52232 N NB . CLA QC 23 . ? 34.213 -63.364 -62.314 1.00 58.72 ? 505 CLA C NB 1 +HETATM 52233 C C1B . CLA QC 23 . ? 34.366 -62.064 -62.546 1.00 57.97 ? 505 CLA C C1B 1 +HETATM 52234 C C2B . CLA QC 23 . ? 35.314 -61.385 -61.616 1.00 58.34 ? 505 CLA C C2B 1 +HETATM 52235 C C3B . CLA QC 23 . ? 35.775 -62.507 -60.760 1.00 59.47 ? 505 CLA C C3B 1 +HETATM 52236 C C4B . CLA QC 23 . ? 35.025 -63.664 -61.290 1.00 58.33 ? 505 CLA C C4B 1 +HETATM 52237 C CMB . CLA QC 23 . ? 35.705 -59.940 -61.578 1.00 54.28 ? 505 CLA C CMB 1 +HETATM 52238 C CAB . CLA QC 23 . ? 36.732 -62.563 -59.619 1.00 56.00 ? 505 CLA C CAB 1 +HETATM 52239 C CBB . CLA QC 23 . ? 37.946 -62.072 -59.731 1.00 65.75 ? 505 CLA C CBB 1 +HETATM 52240 N NC . CLA QC 23 . ? 33.769 -66.311 -62.290 1.00 63.26 ? 505 CLA C NC 1 +HETATM 52241 C C1C . CLA QC 23 . ? 34.483 -66.203 -61.150 1.00 63.07 ? 505 CLA C C1C 1 +HETATM 52242 C C2C . CLA QC 23 . ? 34.530 -67.425 -60.293 1.00 55.36 ? 505 CLA C C2C 1 +HETATM 52243 C C3C . CLA QC 23 . ? 33.718 -68.379 -61.063 1.00 54.01 ? 505 CLA C C3C 1 +HETATM 52244 C C4C . CLA QC 23 . ? 33.325 -67.588 -62.255 1.00 53.75 ? 505 CLA C C4C 1 +HETATM 52245 C CMC . CLA QC 23 . ? 35.220 -67.638 -58.967 1.00 48.65 ? 505 CLA C CMC 1 +HETATM 52246 C CAC . CLA QC 23 . ? 33.376 -69.816 -60.743 1.00 52.82 ? 505 CLA C CAC 1 +HETATM 52247 C CBC . CLA QC 23 . ? 32.121 -69.752 -59.892 1.00 60.10 ? 505 CLA C CBC 1 +HETATM 52248 N ND . CLA QC 23 . ? 31.977 -66.090 -64.296 1.00 60.42 ? 505 CLA C ND 1 +HETATM 52249 C C1D . CLA QC 23 . ? 31.730 -67.496 -64.197 1.00 54.09 ? 505 CLA C C1D 1 +HETATM 52250 C C2D . CLA QC 23 . ? 30.672 -68.048 -65.068 1.00 60.39 ? 505 CLA C C2D 1 +HETATM 52251 C C3D . CLA QC 23 . ? 30.255 -66.778 -65.736 1.00 52.21 ? 505 CLA C C3D 1 +HETATM 52252 C C4D . CLA QC 23 . ? 31.029 -65.745 -65.233 1.00 54.16 ? 505 CLA C C4D 1 +HETATM 52253 C CMD . CLA QC 23 . ? 30.083 -69.418 -65.305 1.00 48.38 ? 505 CLA C CMD 1 +HETATM 52254 C CAD . CLA QC 23 . ? 29.325 -66.173 -66.725 1.00 59.94 ? 505 CLA C CAD 1 +HETATM 52255 O OBD . CLA QC 23 . ? 28.451 -66.853 -67.365 1.00 50.43 ? 505 CLA C OBD 1 +HETATM 52256 C CBD . CLA QC 23 . ? 29.568 -64.693 -66.824 1.00 51.34 ? 505 CLA C CBD 1 +HETATM 52257 C CGD . CLA QC 23 . ? 30.050 -64.342 -68.209 1.00 58.91 ? 505 CLA C CGD 1 +HETATM 52258 O O1D . CLA QC 23 . ? 29.655 -63.336 -68.812 1.00 53.16 ? 505 CLA C O1D 1 +HETATM 52259 O O2D . CLA QC 23 . ? 31.038 -65.182 -68.851 1.00 60.78 ? 505 CLA C O2D 1 +HETATM 52260 C CED . CLA QC 23 . ? 31.558 -64.762 -70.110 1.00 56.67 ? 505 CLA C CED 1 +HETATM 52261 C C1 . CLA QC 23 . ? 26.710 -61.906 -61.165 1.00 60.02 ? 505 CLA C C1 1 +HETATM 52262 C C2 . CLA QC 23 . ? 26.950 -61.361 -59.778 1.00 68.01 ? 505 CLA C C2 1 +HETATM 52263 C C3 . CLA QC 23 . ? 26.963 -62.133 -58.692 1.00 73.45 ? 505 CLA C C3 1 +HETATM 52264 C C4 . CLA QC 23 . ? 26.692 -63.600 -58.782 1.00 84.55 ? 505 CLA C C4 1 +HETATM 52265 C C5 . CLA QC 23 . ? 27.235 -61.510 -57.354 1.00 79.39 ? 505 CLA C C5 1 +HETATM 52266 C C6 . CLA QC 23 . ? 27.942 -62.477 -56.414 1.00 89.74 ? 505 CLA C C6 1 +HETATM 52267 C C7 . CLA QC 23 . ? 27.792 -62.034 -54.959 1.00 94.66 ? 505 CLA C C7 1 +HETATM 52268 C C8 . CLA QC 23 . ? 28.689 -62.877 -54.055 1.00 112.33 ? 505 CLA C C8 1 +HETATM 52269 C C9 . CLA QC 23 . ? 28.046 -64.236 -53.776 1.00 106.49 ? 505 CLA C C9 1 +HETATM 52270 C C10 . CLA QC 23 . ? 29.016 -62.115 -52.767 1.00 98.53 ? 505 CLA C C10 1 +HETATM 52271 C C11 . CLA QC 23 . ? 30.327 -62.611 -52.152 1.00 115.02 ? 505 CLA C C11 1 +HETATM 52272 C C12 . CLA QC 23 . ? 30.920 -61.614 -51.156 1.00 99.60 ? 505 CLA C C12 1 +HETATM 52273 C C13 . CLA QC 23 . ? 32.158 -62.161 -50.451 1.00 92.35 ? 505 CLA C C13 1 +HETATM 52274 C C14 . CLA QC 23 . ? 33.089 -62.845 -51.448 1.00 96.94 ? 505 CLA C C14 1 +HETATM 52275 C C15 . CLA QC 23 . ? 31.749 -63.115 -49.324 1.00 131.28 ? 505 CLA C C15 1 +HETATM 52276 C C16 . CLA QC 23 . ? 32.079 -62.544 -47.935 1.00 130.22 ? 505 CLA C C16 1 +HETATM 52277 C C17 . CLA QC 23 . ? 31.294 -63.193 -46.791 1.00 99.77 ? 505 CLA C C17 1 +HETATM 52278 C C18 . CLA QC 23 . ? 31.627 -62.557 -45.437 1.00 92.42 ? 505 CLA C C18 1 +HETATM 52279 C C19 . CLA QC 23 . ? 33.130 -62.504 -45.186 1.00 86.53 ? 505 CLA C C19 1 +HETATM 52280 C C20 . CLA QC 23 . ? 30.926 -63.287 -44.299 1.00 83.81 ? 505 CLA C C20 1 +HETATM 52281 MG MG . CLA RC 23 . ? 49.198 -54.116 -39.526 1.00 55.33 ? 506 CLA C MG 1 +HETATM 52282 C CHA . CLA RC 23 . ? 51.249 -55.610 -37.154 1.00 58.37 ? 506 CLA C CHA 1 +HETATM 52283 C CHB . CLA RC 23 . ? 47.302 -52.921 -37.000 1.00 50.98 ? 506 CLA C CHB 1 +HETATM 52284 C CHC . CLA RC 23 . ? 47.639 -52.158 -41.839 1.00 49.92 ? 506 CLA C CHC 1 +HETATM 52285 C CHD . CLA RC 23 . ? 51.661 -55.078 -42.111 1.00 54.64 ? 506 CLA C CHD 1 +HETATM 52286 N NA . CLA RC 23 . ? 49.277 -54.210 -37.436 1.00 59.56 ? 506 CLA C NA 1 +HETATM 52287 C C1A . CLA RC 23 . ? 49.991 -54.960 -36.666 1.00 51.31 ? 506 CLA C C1A 1 +HETATM 52288 C C2A . CLA RC 23 . ? 49.576 -55.061 -35.215 1.00 60.28 ? 506 CLA C C2A 1 +HETATM 52289 C C3A . CLA RC 23 . ? 48.321 -54.203 -35.210 1.00 53.97 ? 506 CLA C C3A 1 +HETATM 52290 C C4A . CLA RC 23 . ? 48.305 -53.744 -36.642 1.00 62.75 ? 506 CLA C C4A 1 +HETATM 52291 C CMA . CLA RC 23 . ? 47.112 -55.106 -35.011 1.00 46.15 ? 506 CLA C CMA 1 +HETATM 52292 C CAA . CLA RC 23 . ? 50.612 -54.508 -34.222 1.00 54.39 ? 506 CLA C CAA 1 +HETATM 52293 C CBA . CLA RC 23 . ? 50.902 -53.014 -34.307 1.00 53.37 ? 506 CLA C CBA 1 +HETATM 52294 C CGA . CLA RC 23 . ? 51.799 -52.616 -35.450 1.00 53.95 ? 506 CLA C CGA 1 +HETATM 52295 O O1A . CLA RC 23 . ? 52.948 -52.997 -35.556 1.00 63.84 ? 506 CLA C O1A 1 +HETATM 52296 O O2A . CLA RC 23 . ? 51.290 -51.762 -36.485 1.00 57.98 ? 506 CLA C O2A 1 +HETATM 52297 N NB . CLA RC 23 . ? 47.684 -52.731 -39.426 1.00 51.56 ? 506 CLA C NB 1 +HETATM 52298 C C1B . CLA RC 23 . ? 47.019 -52.346 -38.334 1.00 54.27 ? 506 CLA C C1B 1 +HETATM 52299 C C2B . CLA RC 23 . ? 45.970 -51.300 -38.581 1.00 58.07 ? 506 CLA C C2B 1 +HETATM 52300 C C3B . CLA RC 23 . ? 46.082 -51.093 -40.032 1.00 57.19 ? 506 CLA C C3B 1 +HETATM 52301 C C4B . CLA RC 23 . ? 47.172 -52.024 -40.446 1.00 49.32 ? 506 CLA C C4B 1 +HETATM 52302 C CMB . CLA RC 23 . ? 45.014 -50.586 -37.659 1.00 52.59 ? 506 CLA C CMB 1 +HETATM 52303 C CAB . CLA RC 23 . ? 45.264 -50.135 -40.815 1.00 52.55 ? 506 CLA C CAB 1 +HETATM 52304 C CBB . CLA RC 23 . ? 45.095 -50.213 -42.110 1.00 77.32 ? 506 CLA C CBB 1 +HETATM 52305 N NC . CLA RC 23 . ? 49.638 -53.652 -41.511 1.00 55.51 ? 506 CLA C NC 1 +HETATM 52306 C C1C . CLA RC 23 . ? 48.780 -52.973 -42.302 1.00 64.63 ? 506 CLA C C1C 1 +HETATM 52307 C C2C . CLA RC 23 . ? 49.029 -53.095 -43.770 1.00 57.72 ? 506 CLA C C2C 1 +HETATM 52308 C C3C . CLA RC 23 . ? 50.215 -53.954 -43.837 1.00 64.01 ? 506 CLA C C3C 1 +HETATM 52309 C C4C . CLA RC 23 . ? 50.496 -54.218 -42.397 1.00 59.11 ? 506 CLA C C4C 1 +HETATM 52310 C CMC . CLA RC 23 . ? 48.270 -52.513 -44.930 1.00 61.03 ? 506 CLA C CMC 1 +HETATM 52311 C CAC . CLA RC 23 . ? 50.949 -54.458 -45.063 1.00 54.26 ? 506 CLA C CAC 1 +HETATM 52312 C CBC . CLA RC 23 . ? 52.157 -53.564 -45.234 1.00 63.69 ? 506 CLA C CBC 1 +HETATM 52313 N ND . CLA RC 23 . ? 50.980 -55.074 -39.697 1.00 56.07 ? 506 CLA C ND 1 +HETATM 52314 C C1D . CLA RC 23 . ? 51.934 -55.415 -40.713 1.00 67.32 ? 506 CLA C C1D 1 +HETATM 52315 C C2D . CLA RC 23 . ? 53.160 -56.095 -40.236 1.00 69.23 ? 506 CLA C C2D 1 +HETATM 52316 C C3D . CLA RC 23 . ? 52.876 -56.150 -38.780 1.00 59.31 ? 506 CLA C C3D 1 +HETATM 52317 C C4D . CLA RC 23 . ? 51.650 -55.535 -38.575 1.00 60.98 ? 506 CLA C C4D 1 +HETATM 52318 C CMD . CLA RC 23 . ? 54.402 -56.624 -40.872 1.00 53.86 ? 506 CLA C CMD 1 +HETATM 52319 C CAD . CLA RC 23 . ? 53.388 -56.590 -37.461 1.00 62.78 ? 506 CLA C CAD 1 +HETATM 52320 O OBD . CLA RC 23 . ? 54.497 -57.180 -37.241 1.00 57.70 ? 506 CLA C OBD 1 +HETATM 52321 C CBD . CLA RC 23 . ? 52.395 -56.232 -36.426 1.00 62.03 ? 506 CLA C CBD 1 +HETATM 52322 C CGD . CLA RC 23 . ? 52.040 -57.484 -35.701 1.00 52.03 ? 506 CLA C CGD 1 +HETATM 52323 O O1D . CLA RC 23 . ? 52.170 -57.548 -34.487 1.00 64.46 ? 506 CLA C O1D 1 +HETATM 52324 O O2D . CLA RC 23 . ? 51.563 -58.640 -36.421 1.00 54.75 ? 506 CLA C O2D 1 +HETATM 52325 C CED . CLA RC 23 . ? 51.263 -59.827 -35.688 1.00 56.49 ? 506 CLA C CED 1 +HETATM 52326 C C1 . CLA RC 23 . ? 52.111 -51.496 -37.615 1.00 65.89 ? 506 CLA C C1 1 +HETATM 52327 C C2 . CLA RC 23 . ? 51.445 -50.476 -38.501 1.00 67.81 ? 506 CLA C C2 1 +HETATM 52328 C C3 . CLA RC 23 . ? 51.453 -50.640 -39.826 1.00 71.01 ? 506 CLA C C3 1 +HETATM 52329 C C4 . CLA RC 23 . ? 52.148 -51.834 -40.413 1.00 72.36 ? 506 CLA C C4 1 +HETATM 52330 C C5 . CLA RC 23 . ? 50.790 -49.624 -40.729 1.00 75.08 ? 506 CLA C C5 1 +HETATM 52331 C C6 . CLA RC 23 . ? 49.684 -48.830 -40.032 1.00 72.77 ? 506 CLA C C6 1 +HETATM 52332 C C7 . CLA RC 23 . ? 48.959 -47.917 -41.026 1.00 78.48 ? 506 CLA C C7 1 +HETATM 52333 C C8 . CLA RC 23 . ? 48.110 -46.879 -40.301 1.00 74.94 ? 506 CLA C C8 1 +HETATM 52334 C C9 . CLA RC 23 . ? 47.190 -46.143 -41.264 1.00 90.91 ? 506 CLA C C9 1 +HETATM 52335 C C10 . CLA RC 23 . ? 49.046 -45.878 -39.652 1.00 96.36 ? 506 CLA C C10 1 +HETATM 52336 C C11 . CLA RC 23 . ? 49.800 -45.120 -40.740 1.00 96.67 ? 506 CLA C C11 1 +HETATM 52337 C C12 . CLA RC 23 . ? 50.555 -43.948 -40.127 1.00 92.10 ? 506 CLA C C12 1 +HETATM 52338 C C13 . CLA RC 23 . ? 51.557 -43.376 -41.121 1.00 109.76 ? 506 CLA C C13 1 +HETATM 52339 C C14 . CLA RC 23 . ? 52.960 -43.475 -40.537 1.00 98.29 ? 506 CLA C C14 1 +HETATM 52340 C C15 . CLA RC 23 . ? 51.182 -41.930 -41.438 1.00 70.95 ? 506 CLA C C15 1 +HETATM 52341 C C16 . CLA RC 23 . ? 51.594 -41.501 -42.843 1.00 81.40 ? 506 CLA C C16 1 +HETATM 52342 C C17 . CLA RC 23 . ? 51.176 -40.058 -43.089 1.00 78.92 ? 506 CLA C C17 1 +HETATM 52343 C C18 . CLA RC 23 . ? 51.643 -39.542 -44.440 1.00 82.15 ? 506 CLA C C18 1 +HETATM 52344 C C19 . CLA RC 23 . ? 53.156 -39.634 -44.582 1.00 98.98 ? 506 CLA C C19 1 +HETATM 52345 C C20 . CLA RC 23 . ? 51.172 -38.110 -44.638 1.00 69.59 ? 506 CLA C C20 1 +HETATM 52346 MG MG . CLA SC 23 . ? 63.990 -58.810 -46.913 1.00 66.31 ? 507 CLA C MG 1 +HETATM 52347 C CHA . CLA SC 23 . ? 65.504 -57.815 -43.951 1.00 66.51 ? 507 CLA C CHA 1 +HETATM 52348 C CHB . CLA SC 23 . ? 61.351 -59.896 -45.084 1.00 59.75 ? 507 CLA C CHB 1 +HETATM 52349 C CHC . CLA SC 23 . ? 62.245 -59.085 -49.809 1.00 61.80 ? 507 CLA C CHC 1 +HETATM 52350 C CHD . CLA SC 23 . ? 66.694 -57.141 -48.749 1.00 65.04 ? 507 CLA C CHD 1 +HETATM 52351 N NA . CLA SC 23 . ? 63.483 -58.805 -44.900 1.00 68.18 ? 507 CLA C NA 1 +HETATM 52352 C C1A . CLA SC 23 . ? 64.194 -58.520 -43.868 1.00 54.44 ? 507 CLA C C1A 1 +HETATM 52353 C C2A . CLA SC 23 . ? 63.609 -58.817 -42.520 1.00 64.09 ? 507 CLA C C2A 1 +HETATM 52354 C C3A . CLA SC 23 . ? 62.327 -59.529 -42.908 1.00 70.79 ? 507 CLA C C3A 1 +HETATM 52355 C C4A . CLA SC 23 . ? 62.394 -59.409 -44.405 1.00 67.24 ? 507 CLA C C4A 1 +HETATM 52356 C CMA . CLA SC 23 . ? 62.470 -61.002 -42.515 1.00 65.72 ? 507 CLA C CMA 1 +HETATM 52357 C CAA . CLA SC 23 . ? 63.171 -57.502 -41.832 1.00 61.96 ? 507 CLA C CAA 1 +HETATM 52358 C CBA . CLA SC 23 . ? 61.986 -56.858 -42.568 1.00 66.82 ? 507 CLA C CBA 1 +HETATM 52359 C CGA . CLA SC 23 . ? 61.558 -55.489 -42.103 1.00 72.80 ? 507 CLA C CGA 1 +HETATM 52360 O O1A . CLA SC 23 . ? 61.862 -55.027 -41.024 1.00 81.07 ? 507 CLA C O1A 1 +HETATM 52361 O O2A . CLA SC 23 . ? 60.756 -54.660 -42.975 1.00 77.32 ? 507 CLA C O2A 1 +HETATM 52362 N NB . CLA SC 23 . ? 62.088 -59.392 -47.366 1.00 62.89 ? 507 CLA C NB 1 +HETATM 52363 C C1B . CLA SC 23 . ? 61.156 -59.864 -46.539 1.00 54.92 ? 507 CLA C C1B 1 +HETATM 52364 C C2B . CLA SC 23 . ? 59.874 -60.268 -47.192 1.00 61.04 ? 507 CLA C C2B 1 +HETATM 52365 C C3B . CLA SC 23 . ? 60.180 -60.003 -48.618 1.00 63.23 ? 507 CLA C C3B 1 +HETATM 52366 C C4B . CLA SC 23 . ? 61.558 -59.461 -48.581 1.00 53.48 ? 507 CLA C C4B 1 +HETATM 52367 C CMB . CLA SC 23 . ? 58.623 -60.824 -46.565 1.00 58.74 ? 507 CLA C CMB 1 +HETATM 52368 C CAB . CLA SC 23 . ? 59.385 -60.181 -49.862 1.00 65.80 ? 507 CLA C CAB 1 +HETATM 52369 C CBB . CLA SC 23 . ? 58.270 -60.887 -49.906 1.00 67.16 ? 507 CLA C CBB 1 +HETATM 52370 N NC . CLA SC 23 . ? 64.378 -58.201 -48.845 1.00 59.95 ? 507 CLA C NC 1 +HETATM 52371 C C1C . CLA SC 23 . ? 63.578 -58.491 -49.886 1.00 62.25 ? 507 CLA C C1C 1 +HETATM 52372 C C2C . CLA SC 23 . ? 64.110 -58.159 -51.234 1.00 65.18 ? 507 CLA C C2C 1 +HETATM 52373 C C3C . CLA SC 23 . ? 65.424 -57.585 -50.906 1.00 60.17 ? 507 CLA C C3C 1 +HETATM 52374 C C4C . CLA SC 23 . ? 65.474 -57.652 -49.416 1.00 71.19 ? 507 CLA C C4C 1 +HETATM 52375 C CMC . CLA SC 23 . ? 63.478 -58.359 -52.589 1.00 58.34 ? 507 CLA C CMC 1 +HETATM 52376 C CAC . CLA SC 23 . ? 66.456 -57.051 -51.846 1.00 64.74 ? 507 CLA C CAC 1 +HETATM 52377 C CBC . CLA SC 23 . ? 66.108 -55.583 -51.950 1.00 73.25 ? 507 CLA C CBC 1 +HETATM 52378 N ND . CLA SC 23 . ? 65.671 -57.717 -46.554 1.00 64.65 ? 507 CLA C ND 1 +HETATM 52379 C C1D . CLA SC 23 . ? 66.739 -57.110 -47.283 1.00 73.91 ? 507 CLA C C1D 1 +HETATM 52380 C C2D . CLA SC 23 . ? 67.817 -56.498 -46.452 1.00 81.47 ? 507 CLA C C2D 1 +HETATM 52381 C C3D . CLA SC 23 . ? 67.289 -56.804 -45.089 1.00 73.98 ? 507 CLA C C3D 1 +HETATM 52382 C C4D . CLA SC 23 . ? 66.088 -57.471 -45.258 1.00 59.11 ? 507 CLA C C4D 1 +HETATM 52383 C CMD . CLA SC 23 . ? 69.105 -55.763 -46.729 1.00 71.40 ? 507 CLA C CMD 1 +HETATM 52384 C CAD . CLA SC 23 . ? 67.506 -56.658 -43.616 1.00 78.67 ? 507 CLA C CAD 1 +HETATM 52385 O OBD . CLA SC 23 . ? 68.515 -56.086 -43.068 1.00 82.61 ? 507 CLA C OBD 1 +HETATM 52386 C CBD . CLA SC 23 . ? 66.408 -57.315 -42.868 1.00 62.27 ? 507 CLA C CBD 1 +HETATM 52387 C CGD . CLA SC 23 . ? 67.084 -58.503 -42.241 1.00 67.91 ? 507 CLA C CGD 1 +HETATM 52388 O O1D . CLA SC 23 . ? 66.940 -58.808 -41.070 1.00 72.11 ? 507 CLA C O1D 1 +HETATM 52389 O O2D . CLA SC 23 . ? 67.969 -59.320 -43.048 1.00 82.64 ? 507 CLA C O2D 1 +HETATM 52390 C CED . CLA SC 23 . ? 68.457 -60.558 -42.528 1.00 75.64 ? 507 CLA C CED 1 +HETATM 52391 C C1 . CLA SC 23 . ? 60.208 -53.460 -42.452 1.00 79.11 ? 507 CLA C C1 1 +HETATM 52392 C C2 . CLA SC 23 . ? 60.412 -52.355 -43.458 1.00 78.65 ? 507 CLA C C2 1 +HETATM 52393 C C3 . CLA SC 23 . ? 61.200 -51.311 -43.167 1.00 102.35 ? 507 CLA C C3 1 +HETATM 52394 C C4 . CLA SC 23 . ? 61.879 -51.248 -41.830 1.00 108.55 ? 507 CLA C C4 1 +HETATM 52395 C C5 . CLA SC 23 . ? 61.396 -50.198 -44.172 1.00 94.36 ? 507 CLA C C5 1 +HETATM 52396 C C6 . CLA SC 23 . ? 61.333 -48.817 -43.522 1.00 121.34 ? 507 CLA C C6 1 +HETATM 52397 C C7 . CLA SC 23 . ? 59.921 -48.438 -43.081 1.00 118.32 ? 507 CLA C C7 1 +HETATM 52398 C C8 . CLA SC 23 . ? 59.240 -47.537 -44.109 1.00 125.88 ? 507 CLA C C8 1 +HETATM 52399 C C9 . CLA SC 23 . ? 59.221 -46.090 -43.624 1.00 127.27 ? 507 CLA C C9 1 +HETATM 52400 C C10 . CLA SC 23 . ? 57.822 -48.027 -44.383 1.00 115.65 ? 507 CLA C C10 1 +HETATM 52401 C C11 . CLA SC 23 . ? 57.221 -47.346 -45.616 1.00 136.67 ? 507 CLA C C11 1 +HETATM 52402 C C12 . CLA SC 23 . ? 55.875 -47.976 -45.987 1.00 144.62 ? 507 CLA C C12 1 +HETATM 52403 C C13 . CLA SC 23 . ? 55.143 -47.230 -47.105 1.00 126.98 ? 507 CLA C C13 1 +HETATM 52404 C C14 . CLA SC 23 . ? 53.646 -47.528 -47.071 1.00 106.11 ? 507 CLA C C14 1 +HETATM 52405 C C15 . CLA SC 23 . ? 55.759 -47.619 -48.444 1.00 103.45 ? 507 CLA C C15 1 +HETATM 52406 C C16 . CLA SC 23 . ? 54.766 -47.612 -49.603 1.00 88.45 ? 507 CLA C C16 1 +HETATM 52407 C C17 . CLA SC 23 . ? 55.530 -47.816 -50.900 1.00 96.94 ? 507 CLA C C17 1 +HETATM 52408 C C18 . CLA SC 23 . ? 56.795 -46.956 -50.900 1.00 111.18 ? 507 CLA C C18 1 +HETATM 52409 C C19 . CLA SC 23 . ? 56.548 -45.586 -51.522 1.00 101.83 ? 507 CLA C C19 1 +HETATM 52410 C C20 . CLA SC 23 . ? 57.962 -47.658 -51.587 1.00 102.48 ? 507 CLA C C20 1 +HETATM 52411 MG MG . CLA TC 23 . ? 56.202 -62.690 -45.109 1.00 56.82 ? 508 CLA C MG 1 +HETATM 52412 C CHA . CLA TC 23 . ? 55.874 -64.658 -47.945 1.00 57.38 ? 508 CLA C CHA 1 +HETATM 52413 C CHB . CLA TC 23 . ? 54.759 -60.126 -46.838 1.00 51.61 ? 508 CLA C CHB 1 +HETATM 52414 C CHC . CLA TC 23 . ? 57.397 -60.606 -42.714 1.00 59.87 ? 508 CLA C CHC 1 +HETATM 52415 C CHD . CLA TC 23 . ? 58.047 -65.472 -43.512 1.00 47.97 ? 508 CLA C CHD 1 +HETATM 52416 N NA . CLA TC 23 . ? 55.493 -62.412 -47.061 1.00 56.44 ? 508 CLA C NA 1 +HETATM 52417 C C1A . CLA TC 23 . ? 55.309 -63.267 -48.013 1.00 63.53 ? 508 CLA C C1A 1 +HETATM 52418 C C2A . CLA TC 23 . ? 54.575 -62.786 -49.264 1.00 53.13 ? 508 CLA C C2A 1 +HETATM 52419 C C3A . CLA TC 23 . ? 54.209 -61.357 -48.852 1.00 60.82 ? 508 CLA C C3A 1 +HETATM 52420 C C4A . CLA TC 23 . ? 54.865 -61.297 -47.490 1.00 71.77 ? 508 CLA C C4A 1 +HETATM 52421 C CMA . CLA TC 23 . ? 54.783 -60.265 -49.743 1.00 59.94 ? 508 CLA C CMA 1 +HETATM 52422 C CAA . CLA TC 23 . ? 53.371 -63.631 -49.684 1.00 56.53 ? 508 CLA C CAA 1 +HETATM 52423 C CBA . CLA TC 23 . ? 52.663 -63.078 -50.925 1.00 67.45 ? 508 CLA C CBA 1 +HETATM 52424 C CGA . CLA TC 23 . ? 53.580 -62.771 -52.095 1.00 66.68 ? 508 CLA C CGA 1 +HETATM 52425 O O1A . CLA TC 23 . ? 54.500 -63.519 -52.410 1.00 68.22 ? 508 CLA C O1A 1 +HETATM 52426 O O2A . CLA TC 23 . ? 53.370 -61.564 -52.883 1.00 64.91 ? 508 CLA C O2A 1 +HETATM 52427 N NB . CLA TC 23 . ? 56.070 -60.681 -44.822 1.00 58.28 ? 508 CLA C NB 1 +HETATM 52428 C C1B . CLA TC 23 . ? 55.384 -59.788 -45.553 1.00 61.11 ? 508 CLA C C1B 1 +HETATM 52429 C C2B . CLA TC 23 . ? 55.443 -58.396 -45.036 1.00 51.30 ? 508 CLA C C2B 1 +HETATM 52430 C C3B . CLA TC 23 . ? 56.245 -58.581 -43.812 1.00 57.83 ? 508 CLA C C3B 1 +HETATM 52431 C C4B . CLA TC 23 . ? 56.587 -60.015 -43.791 1.00 55.42 ? 508 CLA C C4B 1 +HETATM 52432 C CMB . CLA TC 23 . ? 54.823 -57.132 -45.555 1.00 53.21 ? 508 CLA C CMB 1 +HETATM 52433 C CAB . CLA TC 23 . ? 56.678 -57.587 -42.821 1.00 57.02 ? 508 CLA C CAB 1 +HETATM 52434 C CBB . CLA TC 23 . ? 57.657 -56.755 -43.122 1.00 59.22 ? 508 CLA C CBB 1 +HETATM 52435 N NC . CLA TC 23 . ? 57.439 -62.999 -43.470 1.00 58.64 ? 508 CLA C NC 1 +HETATM 52436 C C1C . CLA TC 23 . ? 57.817 -62.018 -42.633 1.00 58.71 ? 508 CLA C C1C 1 +HETATM 52437 C C2C . CLA TC 23 . ? 58.732 -62.437 -41.534 1.00 64.73 ? 508 CLA C C2C 1 +HETATM 52438 C C3C . CLA TC 23 . ? 58.911 -63.883 -41.782 1.00 64.34 ? 508 CLA C C3C 1 +HETATM 52439 C C4C . CLA TC 23 . ? 58.074 -64.099 -42.990 1.00 59.23 ? 508 CLA C C4C 1 +HETATM 52440 C CMC . CLA TC 23 . ? 59.320 -61.588 -40.440 1.00 58.42 ? 508 CLA C CMC 1 +HETATM 52441 C CAC . CLA TC 23 . ? 59.730 -64.910 -41.034 1.00 67.20 ? 508 CLA C CAC 1 +HETATM 52442 C CBC . CLA TC 23 . ? 61.069 -64.957 -41.739 1.00 60.90 ? 508 CLA C CBC 1 +HETATM 52443 N ND . CLA TC 23 . ? 56.859 -64.572 -45.518 1.00 55.89 ? 508 CLA C ND 1 +HETATM 52444 C C1D . CLA TC 23 . ? 57.558 -65.649 -44.878 1.00 62.05 ? 508 CLA C C1D 1 +HETATM 52445 C C2D . CLA TC 23 . ? 57.719 -66.886 -45.681 1.00 61.91 ? 508 CLA C C2D 1 +HETATM 52446 C C3D . CLA TC 23 . ? 57.023 -66.459 -46.922 1.00 65.24 ? 508 CLA C C3D 1 +HETATM 52447 C C4D . CLA TC 23 . ? 56.598 -65.146 -46.749 1.00 66.27 ? 508 CLA C C4D 1 +HETATM 52448 C CMD . CLA TC 23 . ? 58.338 -68.242 -45.473 1.00 59.09 ? 508 CLA C CMD 1 +HETATM 52449 C CAD . CLA TC 23 . ? 56.625 -66.871 -48.288 1.00 64.15 ? 508 CLA C CAD 1 +HETATM 52450 O OBD . CLA TC 23 . ? 56.871 -68.011 -48.801 1.00 65.76 ? 508 CLA C OBD 1 +HETATM 52451 C CBD . CLA TC 23 . ? 55.899 -65.758 -48.947 1.00 59.75 ? 508 CLA C CBD 1 +HETATM 52452 C CGD . CLA TC 23 . ? 56.541 -65.426 -50.257 1.00 55.59 ? 508 CLA C CGD 1 +HETATM 52453 O O1D . CLA TC 23 . ? 56.217 -66.011 -51.273 1.00 69.78 ? 508 CLA C O1D 1 +HETATM 52454 O O2D . CLA TC 23 . ? 57.562 -64.426 -50.376 1.00 62.53 ? 508 CLA C O2D 1 +HETATM 52455 C CED . CLA TC 23 . ? 58.256 -64.329 -51.613 1.00 57.36 ? 508 CLA C CED 1 +HETATM 52456 C C1 . CLA TC 23 . ? 54.151 -61.326 -54.053 1.00 50.09 ? 508 CLA C C1 1 +HETATM 52457 C C2 . CLA TC 23 . ? 55.507 -60.877 -53.583 1.00 61.88 ? 508 CLA C C2 1 +HETATM 52458 C C3 . CLA TC 23 . ? 56.008 -59.685 -53.927 1.00 67.98 ? 508 CLA C C3 1 +HETATM 52459 C C4 . CLA TC 23 . ? 55.238 -58.744 -54.803 1.00 85.23 ? 508 CLA C C4 1 +HETATM 52460 C C5 . CLA TC 23 . ? 57.363 -59.281 -53.417 1.00 68.57 ? 508 CLA C C5 1 +HETATM 52461 C C6 . CLA TC 23 . ? 57.795 -57.942 -53.979 1.00 75.62 ? 508 CLA C C6 1 +HETATM 52462 C C7 . CLA TC 23 . ? 59.239 -57.679 -53.599 1.00 72.31 ? 508 CLA C C7 1 +HETATM 52463 C C8 . CLA TC 23 . ? 59.321 -56.330 -52.921 1.00 78.58 ? 508 CLA C C8 1 +HETATM 52464 C C9 . CLA TC 23 . ? 58.984 -55.232 -53.921 1.00 71.87 ? 508 CLA C C9 1 +HETATM 52465 C C10 . CLA TC 23 . ? 60.724 -56.184 -52.361 1.00 81.53 ? 508 CLA C C10 1 +HETATM 52466 C C11 . CLA TC 23 . ? 60.905 -54.901 -51.565 1.00 61.82 ? 508 CLA C C11 1 +HETATM 52467 C C12 . CLA TC 23 . ? 62.320 -54.874 -51.008 1.00 75.52 ? 508 CLA C C12 1 +HETATM 52468 C C13 . CLA TC 23 . ? 62.409 -54.018 -49.761 1.00 78.06 ? 508 CLA C C13 1 +HETATM 52469 C C14 . CLA TC 23 . ? 62.494 -52.556 -50.166 1.00 89.14 ? 508 CLA C C14 1 +HETATM 52470 C C15 . CLA TC 23 . ? 63.624 -54.428 -48.938 1.00 77.43 ? 508 CLA C C15 1 +HETATM 52471 C C16 . CLA TC 23 . ? 63.507 -53.947 -47.497 1.00 83.19 ? 508 CLA C C16 1 +HETATM 52472 C C17 . CLA TC 23 . ? 64.880 -53.779 -46.857 1.00 77.20 ? 508 CLA C C17 1 +HETATM 52473 C C18 . CLA TC 23 . ? 64.738 -53.074 -45.521 1.00 93.49 ? 508 CLA C C18 1 +HETATM 52474 C C19 . CLA TC 23 . ? 66.100 -52.663 -44.977 1.00 91.95 ? 508 CLA C C19 1 +HETATM 52475 C C20 . CLA TC 23 . ? 63.995 -53.968 -44.540 1.00 77.34 ? 508 CLA C C20 1 +HETATM 52476 MG MG . CLA UC 23 . ? 41.591 -66.705 -41.383 1.00 55.92 ? 509 CLA C MG 1 +HETATM 52477 C CHA . CLA UC 23 . ? 40.455 -68.459 -38.618 1.00 57.97 ? 509 CLA C CHA 1 +HETATM 52478 C CHB . CLA UC 23 . ? 43.503 -69.396 -42.211 1.00 50.31 ? 509 CLA C CHB 1 +HETATM 52479 C CHC . CLA UC 23 . ? 42.068 -65.280 -44.474 1.00 59.77 ? 509 CLA C CHC 1 +HETATM 52480 C CHD . CLA UC 23 . ? 38.892 -64.272 -40.807 1.00 51.44 ? 509 CLA C CHD 1 +HETATM 52481 N NA . CLA UC 23 . ? 41.893 -68.621 -40.608 1.00 56.36 ? 509 CLA C NA 1 +HETATM 52482 C C1A . CLA UC 23 . ? 41.507 -69.114 -39.476 1.00 49.76 ? 509 CLA C C1A 1 +HETATM 52483 C C2A . CLA UC 23 . ? 42.064 -70.452 -39.082 1.00 56.56 ? 509 CLA C C2A 1 +HETATM 52484 C C3A . CLA UC 23 . ? 43.062 -70.705 -40.208 1.00 59.12 ? 509 CLA C C3A 1 +HETATM 52485 C C4A . CLA UC 23 . ? 42.806 -69.493 -41.069 1.00 53.66 ? 509 CLA C C4A 1 +HETATM 52486 C CMA . CLA UC 23 . ? 44.482 -70.665 -39.644 1.00 48.63 ? 509 CLA C CMA 1 +HETATM 52487 C CAA . CLA UC 23 . ? 40.928 -71.482 -39.239 1.00 61.63 ? 509 CLA C CAA 1 +HETATM 52488 C CBA . CLA UC 23 . ? 40.299 -71.385 -40.647 1.00 58.39 ? 509 CLA C CBA 1 +HETATM 52489 C CGA . CLA UC 23 . ? 39.168 -72.353 -40.950 1.00 65.46 ? 509 CLA C CGA 1 +HETATM 52490 O O1A . CLA UC 23 . ? 39.232 -73.538 -40.667 1.00 60.63 ? 509 CLA C O1A 1 +HETATM 52491 O O2A . CLA UC 23 . ? 37.963 -71.886 -41.614 1.00 58.30 ? 509 CLA C O2A 1 +HETATM 52492 N NB . CLA UC 23 . ? 42.604 -67.268 -43.079 1.00 53.80 ? 509 CLA C NB 1 +HETATM 52493 C C1B . CLA UC 23 . ? 43.412 -68.328 -43.220 1.00 51.75 ? 509 CLA C C1B 1 +HETATM 52494 C C2B . CLA UC 23 . ? 44.195 -68.351 -44.488 1.00 58.11 ? 509 CLA C C2B 1 +HETATM 52495 C C3B . CLA UC 23 . ? 43.736 -67.093 -45.153 1.00 51.30 ? 509 CLA C C3B 1 +HETATM 52496 C C4B . CLA UC 23 . ? 42.764 -66.535 -44.185 1.00 51.18 ? 509 CLA C C4B 1 +HETATM 52497 C CMB . CLA UC 23 . ? 45.196 -69.375 -44.937 1.00 49.84 ? 509 CLA C CMB 1 +HETATM 52498 C CAB . CLA UC 23 . ? 44.063 -66.434 -46.452 1.00 49.74 ? 509 CLA C CAB 1 +HETATM 52499 C CBB . CLA UC 23 . ? 45.111 -66.739 -47.195 1.00 53.14 ? 509 CLA C CBB 1 +HETATM 52500 N NC . CLA UC 23 . ? 40.658 -65.143 -42.405 1.00 59.52 ? 509 CLA C NC 1 +HETATM 52501 C C1C . CLA UC 23 . ? 41.032 -64.693 -43.614 1.00 50.80 ? 509 CLA C C1C 1 +HETATM 52502 C C2C . CLA UC 23 . ? 40.300 -63.507 -44.120 1.00 51.38 ? 509 CLA C C2C 1 +HETATM 52503 C C3C . CLA UC 23 . ? 39.350 -63.217 -43.021 1.00 53.47 ? 509 CLA C C3C 1 +HETATM 52504 C C4C . CLA UC 23 . ? 39.677 -64.284 -42.045 1.00 47.36 ? 509 CLA C C4C 1 +HETATM 52505 C CMC . CLA UC 23 . ? 40.492 -62.784 -45.430 1.00 48.00 ? 509 CLA C CMC 1 +HETATM 52506 C CAC . CLA UC 23 . ? 38.326 -62.114 -42.892 1.00 48.15 ? 509 CLA C CAC 1 +HETATM 52507 C CBC . CLA UC 23 . ? 36.957 -62.656 -43.248 1.00 56.76 ? 509 CLA C CBC 1 +HETATM 52508 N ND . CLA UC 23 . ? 40.021 -66.395 -40.132 1.00 49.20 ? 509 CLA C ND 1 +HETATM 52509 C C1D . CLA UC 23 . ? 39.056 -65.370 -39.870 1.00 57.60 ? 509 CLA C C1D 1 +HETATM 52510 C C2D . CLA UC 23 . ? 38.293 -65.492 -38.609 1.00 51.31 ? 509 CLA C C2D 1 +HETATM 52511 C C3D . CLA UC 23 . ? 38.881 -66.770 -38.093 1.00 51.42 ? 509 CLA C C3D 1 +HETATM 52512 C C4D . CLA UC 23 . ? 39.835 -67.191 -39.020 1.00 49.10 ? 509 CLA C C4D 1 +HETATM 52513 C CMD . CLA UC 23 . ? 37.221 -64.681 -37.965 1.00 52.45 ? 509 CLA C CMD 1 +HETATM 52514 C CAD . CLA UC 23 . ? 38.856 -67.777 -37.006 1.00 51.27 ? 509 CLA C CAD 1 +HETATM 52515 O OBD . CLA UC 23 . ? 38.108 -67.718 -35.953 1.00 56.26 ? 509 CLA C OBD 1 +HETATM 52516 C CBD . CLA UC 23 . ? 39.888 -68.827 -37.289 1.00 60.62 ? 509 CLA C CBD 1 +HETATM 52517 C CGD . CLA UC 23 . ? 41.020 -68.618 -36.299 1.00 58.43 ? 509 CLA C CGD 1 +HETATM 52518 O O1D . CLA UC 23 . ? 41.229 -67.525 -35.758 1.00 55.34 ? 509 CLA C O1D 1 +HETATM 52519 O O2D . CLA UC 23 . ? 41.906 -69.723 -35.963 1.00 60.89 ? 509 CLA C O2D 1 +HETATM 52520 C CED . CLA UC 23 . ? 43.169 -69.474 -35.348 1.00 55.78 ? 509 CLA C CED 1 +HETATM 52521 C C1 . CLA UC 23 . ? 36.980 -72.835 -41.979 1.00 53.88 ? 509 CLA C C1 1 +HETATM 52522 C C2 . CLA UC 23 . ? 36.185 -72.358 -43.170 1.00 56.15 ? 509 CLA C C2 1 +HETATM 52523 C C3 . CLA UC 23 . ? 34.854 -72.197 -43.051 1.00 66.29 ? 509 CLA C C3 1 +HETATM 52524 C C4 . CLA UC 23 . ? 34.149 -72.477 -41.753 1.00 54.35 ? 509 CLA C C4 1 +HETATM 52525 C C5 . CLA UC 23 . ? 34.044 -71.755 -44.245 1.00 73.78 ? 509 CLA C C5 1 +HETATM 52526 C C6 . CLA UC 23 . ? 33.728 -70.269 -44.317 1.00 78.15 ? 509 CLA C C6 1 +HETATM 52527 C C7 . CLA UC 23 . ? 32.676 -70.052 -45.397 1.00 73.67 ? 509 CLA C C7 1 +HETATM 52528 C C8 . CLA UC 23 . ? 32.807 -68.662 -46.006 1.00 87.44 ? 509 CLA C C8 1 +HETATM 52529 C C9 . CLA UC 23 . ? 32.399 -67.575 -45.021 1.00 83.46 ? 509 CLA C C9 1 +HETATM 52530 C C10 . CLA UC 23 . ? 31.947 -68.597 -47.258 1.00 87.75 ? 509 CLA C C10 1 +HETATM 52531 C C11 . CLA UC 23 . ? 32.231 -67.321 -48.029 1.00 75.41 ? 509 CLA C C11 1 +HETATM 52532 C C12 . CLA UC 23 . ? 31.200 -67.157 -49.134 1.00 93.61 ? 509 CLA C C12 1 +HETATM 52533 C C13 . CLA UC 23 . ? 31.839 -67.455 -50.478 1.00 94.32 ? 509 CLA C C13 1 +HETATM 52534 C C14 . CLA UC 23 . ? 33.091 -66.605 -50.660 1.00 93.03 ? 509 CLA C C14 1 +HETATM 52535 C C15 . CLA UC 23 . ? 30.823 -67.204 -51.587 1.00 112.64 ? 509 CLA C C15 1 +HETATM 52536 C C16 . CLA UC 23 . ? 29.468 -67.852 -51.306 1.00 135.16 ? 509 CLA C C16 1 +HETATM 52537 C C17 . CLA UC 23 . ? 29.516 -69.365 -51.521 1.00 139.14 ? 509 CLA C C17 1 +HETATM 52538 C C18 . CLA UC 23 . ? 28.122 -69.991 -51.582 1.00 147.59 ? 509 CLA C C18 1 +HETATM 52539 C C19 . CLA UC 23 . ? 28.208 -71.488 -51.868 1.00 122.68 ? 509 CLA C C19 1 +HETATM 52540 C C20 . CLA UC 23 . ? 27.233 -69.290 -52.608 1.00 144.81 ? 509 CLA C C20 1 +HETATM 52541 MG MG . CLA VC 23 . ? 48.099 -70.947 -46.106 1.00 58.32 ? 510 CLA C MG 1 +HETATM 52542 C CHA . CLA VC 23 . ? 49.607 -68.340 -47.898 1.00 50.32 ? 510 CLA C CHA 1 +HETATM 52543 C CHB . CLA VC 23 . ? 45.961 -71.316 -48.661 1.00 56.10 ? 510 CLA C CHB 1 +HETATM 52544 C CHC . CLA VC 23 . ? 46.277 -72.946 -44.074 1.00 55.88 ? 510 CLA C CHC 1 +HETATM 52545 C CHD . CLA VC 23 . ? 50.277 -70.107 -43.279 1.00 62.84 ? 510 CLA C CHD 1 +HETATM 52546 N NA . CLA VC 23 . ? 47.802 -69.978 -47.934 1.00 55.80 ? 510 CLA C NA 1 +HETATM 52547 C C1A . CLA VC 23 . ? 48.473 -69.064 -48.544 1.00 53.26 ? 510 CLA C C1A 1 +HETATM 52548 C C2A . CLA VC 23 . ? 48.065 -68.717 -49.958 1.00 55.87 ? 510 CLA C C2A 1 +HETATM 52549 C C3A . CLA VC 23 . ? 46.902 -69.673 -50.164 1.00 56.16 ? 510 CLA C C3A 1 +HETATM 52550 C C4A . CLA VC 23 . ? 46.890 -70.362 -48.829 1.00 54.92 ? 510 CLA C C4A 1 +HETATM 52551 C CMA . CLA VC 23 . ? 45.602 -68.906 -50.324 1.00 50.27 ? 510 CLA C CMA 1 +HETATM 52552 C CAA . CLA VC 23 . ? 49.160 -69.001 -50.990 1.00 51.44 ? 510 CLA C CAA 1 +HETATM 52553 C CBA . CLA VC 23 . ? 48.688 -68.819 -52.439 1.00 56.60 ? 510 CLA C CBA 1 +HETATM 52554 C CGA . CLA VC 23 . ? 48.637 -67.360 -52.868 1.00 61.18 ? 510 CLA C CGA 1 +HETATM 52555 O O1A . CLA VC 23 . ? 48.867 -66.443 -52.102 1.00 70.77 ? 510 CLA C O1A 1 +HETATM 52556 O O2A . CLA VC 23 . ? 48.288 -67.000 -54.219 1.00 66.43 ? 510 CLA C O2A 1 +HETATM 52557 N NB . CLA VC 23 . ? 46.343 -71.944 -46.326 1.00 56.25 ? 510 CLA C NB 1 +HETATM 52558 C C1B . CLA VC 23 . ? 45.704 -72.148 -47.478 1.00 56.77 ? 510 CLA C C1B 1 +HETATM 52559 C C2B . CLA VC 23 . ? 44.728 -73.275 -47.481 1.00 53.37 ? 510 CLA C C2B 1 +HETATM 52560 C C3B . CLA VC 23 . ? 44.837 -73.739 -46.071 1.00 53.80 ? 510 CLA C C3B 1 +HETATM 52561 C C4B . CLA VC 23 . ? 45.852 -72.827 -45.472 1.00 51.17 ? 510 CLA C C4B 1 +HETATM 52562 C CMB . CLA VC 23 . ? 43.865 -73.761 -48.608 1.00 56.67 ? 510 CLA C CMB 1 +HETATM 52563 C CAB . CLA VC 23 . ? 44.173 -74.849 -45.331 1.00 59.67 ? 510 CLA C CAB 1 +HETATM 52564 C CBB . CLA VC 23 . ? 43.076 -75.423 -45.792 1.00 64.49 ? 510 CLA C CBB 1 +HETATM 52565 N NC . CLA VC 23 . ? 48.248 -71.407 -44.102 1.00 59.39 ? 510 CLA C NC 1 +HETATM 52566 C C1C . CLA VC 23 . ? 47.407 -72.238 -43.460 1.00 52.08 ? 510 CLA C C1C 1 +HETATM 52567 C C2C . CLA VC 23 . ? 47.688 -72.430 -42.009 1.00 65.06 ? 510 CLA C C2C 1 +HETATM 52568 C C3C . CLA VC 23 . ? 48.875 -71.578 -41.789 1.00 51.50 ? 510 CLA C C3C 1 +HETATM 52569 C C4C . CLA VC 23 . ? 49.124 -71.018 -43.143 1.00 56.79 ? 510 CLA C C4C 1 +HETATM 52570 C CMC . CLA VC 23 . ? 46.962 -73.283 -40.983 1.00 57.96 ? 510 CLA C CMC 1 +HETATM 52571 C CAC . CLA VC 23 . ? 49.656 -71.355 -40.515 1.00 59.47 ? 510 CLA C CAC 1 +HETATM 52572 C CBC . CLA VC 23 . ? 48.950 -70.314 -39.662 1.00 58.63 ? 510 CLA C CBC 1 +HETATM 52573 N ND . CLA VC 23 . ? 49.543 -69.602 -45.608 1.00 57.90 ? 510 CLA C ND 1 +HETATM 52574 C C1D . CLA VC 23 . ? 50.427 -69.341 -44.515 1.00 56.53 ? 510 CLA C C1D 1 +HETATM 52575 C C2D . CLA VC 23 . ? 51.435 -68.274 -44.728 1.00 57.78 ? 510 CLA C C2D 1 +HETATM 52576 C C3D . CLA VC 23 . ? 51.080 -67.861 -46.123 1.00 54.05 ? 510 CLA C C3D 1 +HETATM 52577 C C4D . CLA VC 23 . ? 50.014 -68.667 -46.524 1.00 53.59 ? 510 CLA C C4D 1 +HETATM 52578 C CMD . CLA VC 23 . ? 52.541 -67.694 -43.890 1.00 57.51 ? 510 CLA C CMD 1 +HETATM 52579 C CAD . CLA VC 23 . ? 51.419 -66.971 -47.272 1.00 57.93 ? 510 CLA C CAD 1 +HETATM 52580 O OBD . CLA VC 23 . ? 52.344 -66.078 -47.289 1.00 57.90 ? 510 CLA C OBD 1 +HETATM 52581 C CBD . CLA VC 23 . ? 50.483 -67.247 -48.396 1.00 61.72 ? 510 CLA C CBD 1 +HETATM 52582 C CGD . CLA VC 23 . ? 49.668 -66.003 -48.618 1.00 64.22 ? 510 CLA C CGD 1 +HETATM 52583 O O1D . CLA VC 23 . ? 49.993 -65.157 -49.434 1.00 62.50 ? 510 CLA C O1D 1 +HETATM 52584 O O2D . CLA VC 23 . ? 48.478 -65.781 -47.828 1.00 68.28 ? 510 CLA C O2D 1 +HETATM 52585 C CED . CLA VC 23 . ? 47.973 -64.457 -47.663 1.00 68.69 ? 510 CLA C CED 1 +HETATM 52586 C C1 . CLA VC 23 . ? 48.511 -65.657 -54.644 1.00 70.71 ? 510 CLA C C1 1 +HETATM 52587 C C2 . CLA VC 23 . ? 49.975 -65.270 -54.589 1.00 70.10 ? 510 CLA C C2 1 +HETATM 52588 C C3 . CLA VC 23 . ? 50.769 -65.615 -55.614 1.00 68.36 ? 510 CLA C C3 1 +HETATM 52589 C C4 . CLA VC 23 . ? 50.199 -66.388 -56.758 1.00 68.00 ? 510 CLA C C4 1 +HETATM 52590 C C5 . CLA VC 23 . ? 52.233 -65.254 -55.634 1.00 70.91 ? 510 CLA C C5 1 +HETATM 52591 C C6 . CLA VC 23 . ? 53.099 -66.441 -55.240 1.00 88.63 ? 510 CLA C C6 1 +HETATM 52592 C C7 . CLA VC 23 . ? 53.433 -66.353 -53.757 1.00 73.08 ? 510 CLA C C7 1 +HETATM 52593 C C8 . CLA VC 23 . ? 54.085 -67.632 -53.236 1.00 90.22 ? 510 CLA C C8 1 +HETATM 52594 C C9 . CLA VC 23 . ? 55.194 -68.116 -54.167 1.00 74.46 ? 510 CLA C C9 1 +HETATM 52595 C C10 . CLA VC 23 . ? 53.032 -68.716 -53.044 1.00 83.10 ? 510 CLA C C10 1 +HETATM 52596 C C11 . CLA VC 23 . ? 53.519 -69.721 -52.012 1.00 83.15 ? 510 CLA C C11 1 +HETATM 52597 C C12 . CLA VC 23 . ? 53.571 -69.129 -50.609 1.00 63.16 ? 510 CLA C C12 1 +HETATM 52598 C C13 . CLA VC 23 . ? 53.599 -70.282 -49.619 1.00 79.24 ? 510 CLA C C13 1 +HETATM 52599 C C14 . CLA VC 23 . ? 52.233 -70.958 -49.508 1.00 74.56 ? 510 CLA C C14 1 +HETATM 52600 C C15 . CLA VC 23 . ? 54.117 -69.862 -48.240 1.00 81.33 ? 510 CLA C C15 1 +HETATM 52601 C C16 . CLA VC 23 . ? 54.471 -71.152 -47.509 1.00 81.49 ? 510 CLA C C16 1 +HETATM 52602 C C17 . CLA VC 23 . ? 55.303 -70.989 -46.246 1.00 83.73 ? 510 CLA C C17 1 +HETATM 52603 C C18 . CLA VC 23 . ? 55.537 -72.379 -45.671 1.00 81.68 ? 510 CLA C C18 1 +HETATM 52604 C C19 . CLA VC 23 . ? 54.201 -73.071 -45.442 1.00 84.60 ? 510 CLA C C19 1 +HETATM 52605 C C20 . CLA VC 23 . ? 56.351 -72.313 -44.388 1.00 94.22 ? 510 CLA C C20 1 +HETATM 52606 MG MG . CLA WC 23 . ? 41.048 -69.782 -52.332 1.00 59.21 ? 511 CLA C MG 1 +HETATM 52607 C CHA . CLA WC 23 . ? 39.371 -71.324 -49.725 1.00 56.15 ? 511 CLA C CHA 1 +HETATM 52608 C CHB . CLA WC 23 . ? 42.474 -67.698 -50.068 1.00 56.55 ? 511 CLA C CHB 1 +HETATM 52609 C CHC . CLA WC 23 . ? 42.111 -67.876 -54.933 1.00 54.33 ? 511 CLA C CHC 1 +HETATM 52610 C CHD . CLA WC 23 . ? 38.882 -71.689 -54.662 1.00 56.87 ? 511 CLA C CHD 1 +HETATM 52611 N NA . CLA WC 23 . ? 40.918 -69.509 -50.285 1.00 62.41 ? 511 CLA C NA 1 +HETATM 52612 C C1A . CLA WC 23 . ? 40.336 -70.237 -49.393 1.00 55.17 ? 511 CLA C C1A 1 +HETATM 52613 C C2A . CLA WC 23 . ? 40.643 -69.935 -47.964 1.00 54.07 ? 511 CLA C C2A 1 +HETATM 52614 C C3A . CLA WC 23 . ? 41.580 -68.741 -48.108 1.00 58.25 ? 511 CLA C C3A 1 +HETATM 52615 C C4A . CLA WC 23 . ? 41.668 -68.650 -49.590 1.00 52.38 ? 511 CLA C C4A 1 +HETATM 52616 C CMA . CLA WC 23 . ? 40.834 -67.488 -47.634 1.00 49.43 ? 511 CLA C CMA 1 +HETATM 52617 C CAA . CLA WC 23 . ? 41.462 -71.110 -47.410 1.00 63.61 ? 511 CLA C CAA 1 +HETATM 52618 C CBA . CLA WC 23 . ? 42.108 -70.845 -46.050 1.00 53.04 ? 511 CLA C CBA 1 +HETATM 52619 C CGA . CLA WC 23 . ? 41.087 -70.895 -44.938 1.00 60.59 ? 511 CLA C CGA 1 +HETATM 52620 O O1A . CLA WC 23 . ? 40.929 -71.880 -44.230 1.00 62.86 ? 511 CLA C O1A 1 +HETATM 52621 O O2A . CLA WC 23 . ? 40.280 -69.740 -44.626 1.00 61.95 ? 511 CLA C O2A 1 +HETATM 52622 N NB . CLA WC 23 . ? 42.104 -68.025 -52.466 1.00 56.17 ? 511 CLA C NB 1 +HETATM 52623 C C1B . CLA WC 23 . ? 42.718 -67.371 -51.482 1.00 51.10 ? 511 CLA C C1B 1 +HETATM 52624 C C2B . CLA WC 23 . ? 43.686 -66.326 -51.922 1.00 58.61 ? 511 CLA C C2B 1 +HETATM 52625 C C3B . CLA WC 23 . ? 43.549 -66.402 -53.395 1.00 51.49 ? 511 CLA C C3B 1 +HETATM 52626 C C4B . CLA WC 23 . ? 42.544 -67.472 -53.594 1.00 53.21 ? 511 CLA C C4B 1 +HETATM 52627 C CMB . CLA WC 23 . ? 44.559 -65.440 -51.080 1.00 55.58 ? 511 CLA C CMB 1 +HETATM 52628 C CAB . CLA WC 23 . ? 44.201 -65.659 -54.492 1.00 54.30 ? 511 CLA C CAB 1 +HETATM 52629 C CBB . CLA WC 23 . ? 44.876 -64.549 -54.270 1.00 54.56 ? 511 CLA C CBB 1 +HETATM 52630 N NC . CLA WC 23 . ? 40.570 -69.781 -54.337 1.00 54.53 ? 511 CLA C NC 1 +HETATM 52631 C C1C . CLA WC 23 . ? 41.138 -68.941 -55.222 1.00 53.57 ? 511 CLA C C1C 1 +HETATM 52632 C C2C . CLA WC 23 . ? 40.717 -69.139 -56.638 1.00 56.82 ? 511 CLA C C2C 1 +HETATM 52633 C C3C . CLA WC 23 . ? 39.763 -70.264 -56.542 1.00 60.19 ? 511 CLA C C3C 1 +HETATM 52634 C C4C . CLA WC 23 . ? 39.755 -70.571 -55.088 1.00 54.58 ? 511 CLA C C4C 1 +HETATM 52635 C CMC . CLA WC 23 . ? 41.140 -68.376 -57.860 1.00 51.55 ? 511 CLA C CMC 1 +HETATM 52636 C CAC . CLA WC 23 . ? 38.986 -70.937 -57.647 1.00 63.08 ? 511 CLA C CAC 1 +HETATM 52637 C CBC . CLA WC 23 . ? 37.707 -70.140 -57.800 1.00 65.32 ? 511 CLA C CBC 1 +HETATM 52638 N ND . CLA WC 23 . ? 39.504 -71.116 -52.316 1.00 57.57 ? 511 CLA C ND 1 +HETATM 52639 C C1D . CLA WC 23 . ? 38.733 -71.919 -53.237 1.00 55.41 ? 511 CLA C C1D 1 +HETATM 52640 C C2D . CLA WC 23 . ? 37.830 -72.923 -52.627 1.00 60.22 ? 511 CLA C C2D 1 +HETATM 52641 C C3D . CLA WC 23 . ? 38.123 -72.656 -51.196 1.00 48.66 ? 511 CLA C C3D 1 +HETATM 52642 C C4D . CLA WC 23 . ? 39.063 -71.646 -51.125 1.00 49.74 ? 511 CLA C C4D 1 +HETATM 52643 C CMD . CLA WC 23 . ? 36.859 -73.983 -53.076 1.00 62.16 ? 511 CLA C CMD 1 +HETATM 52644 C CAD . CLA WC 23 . ? 37.802 -73.080 -49.819 1.00 51.67 ? 511 CLA C CAD 1 +HETATM 52645 O OBD . CLA WC 23 . ? 36.956 -73.992 -49.534 1.00 56.19 ? 511 CLA C OBD 1 +HETATM 52646 C CBD . CLA WC 23 . ? 38.574 -72.248 -48.857 1.00 65.39 ? 511 CLA C CBD 1 +HETATM 52647 C CGD . CLA WC 23 . ? 37.618 -71.499 -47.984 1.00 57.29 ? 511 CLA C CGD 1 +HETATM 52648 O O1D . CLA WC 23 . ? 37.671 -71.586 -46.774 1.00 62.77 ? 511 CLA C O1D 1 +HETATM 52649 O O2D . CLA WC 23 . ? 36.606 -70.638 -48.550 1.00 72.16 ? 511 CLA C O2D 1 +HETATM 52650 C CED . CLA WC 23 . ? 35.896 -69.805 -47.629 1.00 72.71 ? 511 CLA C CED 1 +HETATM 52651 C C1 . CLA WC 23 . ? 38.947 -69.939 -44.166 1.00 64.75 ? 511 CLA C C1 1 +HETATM 52652 C C2 . CLA WC 23 . ? 38.134 -68.775 -44.678 1.00 66.75 ? 511 CLA C C2 1 +HETATM 52653 C C3 . CLA WC 23 . ? 37.802 -67.792 -43.846 1.00 56.00 ? 511 CLA C C3 1 +HETATM 52654 C C4 . CLA WC 23 . ? 38.226 -67.902 -42.417 1.00 72.31 ? 511 CLA C C4 1 +HETATM 52655 C C5 . CLA WC 23 . ? 36.990 -66.602 -44.327 1.00 72.36 ? 511 CLA C C5 1 +HETATM 52656 C C6 . CLA WC 23 . ? 37.187 -66.218 -45.792 1.00 61.40 ? 511 CLA C C6 1 +HETATM 52657 C C7 . CLA WC 23 . ? 36.487 -64.912 -46.163 1.00 63.89 ? 511 CLA C C7 1 +HETATM 52658 C C8 . CLA WC 23 . ? 36.943 -64.448 -47.547 1.00 81.76 ? 511 CLA C C8 1 +HETATM 52659 C C9 . CLA WC 23 . ? 36.556 -62.999 -47.775 1.00 76.38 ? 511 CLA C C9 1 +HETATM 52660 C C10 . CLA WC 23 . ? 36.322 -65.321 -48.633 1.00 82.00 ? 511 CLA C C10 1 +HETATM 52661 C C11 . CLA WC 23 . ? 36.994 -65.137 -49.992 1.00 76.74 ? 511 CLA C C11 1 +HETATM 52662 C C12 . CLA WC 23 . ? 38.305 -65.920 -50.038 1.00 89.39 ? 511 CLA C C12 1 +HETATM 52663 C C13 . CLA WC 23 . ? 38.506 -66.717 -51.327 1.00 76.10 ? 511 CLA C C13 1 +HETATM 52664 C C14 . CLA WC 23 . ? 39.358 -65.943 -52.326 1.00 69.79 ? 511 CLA C C14 1 +HETATM 52665 C C15 . CLA WC 23 . ? 37.155 -67.055 -51.933 1.00 75.80 ? 511 CLA C C15 1 +HETATM 52666 C C16 . CLA WC 23 . ? 37.014 -68.529 -52.296 1.00 63.80 ? 511 CLA C C16 1 +HETATM 52667 C C17 . CLA WC 23 . ? 36.186 -68.611 -53.569 1.00 73.59 ? 511 CLA C C17 1 +HETATM 52668 C C18 . CLA WC 23 . ? 35.451 -69.935 -53.699 1.00 83.09 ? 511 CLA C C18 1 +HETATM 52669 C C19 . CLA WC 23 . ? 35.110 -70.189 -55.169 1.00 86.58 ? 511 CLA C C19 1 +HETATM 52670 C C20 . CLA WC 23 . ? 34.201 -69.950 -52.830 1.00 68.04 ? 511 CLA C C20 1 +HETATM 52671 MG MG . CLA XC 23 . ? 40.129 -78.292 -44.173 1.00 62.88 ? 512 CLA C MG 1 +HETATM 52672 C CHA . CLA XC 23 . ? 41.188 -80.848 -42.051 1.00 63.21 ? 512 CLA C CHA 1 +HETATM 52673 C CHB . CLA XC 23 . ? 42.519 -79.298 -46.405 1.00 62.80 ? 512 CLA C CHB 1 +HETATM 52674 C CHC . CLA XC 23 . ? 38.660 -76.239 -46.418 1.00 53.28 ? 512 CLA C CHC 1 +HETATM 52675 C CHD . CLA XC 23 . ? 37.275 -77.730 -41.875 1.00 59.44 ? 512 CLA C CHD 1 +HETATM 52676 N NA . CLA XC 23 . ? 41.569 -79.826 -44.249 1.00 64.63 ? 512 CLA C NA 1 +HETATM 52677 C C1A . CLA XC 23 . ? 41.932 -80.680 -43.345 1.00 64.37 ? 512 CLA C C1A 1 +HETATM 52678 C C2A . CLA XC 23 . ? 43.126 -81.569 -43.675 1.00 75.86 ? 512 CLA C C2A 1 +HETATM 52679 C C3A . CLA XC 23 . ? 43.492 -81.091 -45.086 1.00 66.94 ? 512 CLA C C3A 1 +HETATM 52680 C C4A . CLA XC 23 . ? 42.464 -79.991 -45.252 1.00 67.91 ? 512 CLA C C4A 1 +HETATM 52681 C CMA . CLA XC 23 . ? 44.943 -80.641 -45.282 1.00 68.34 ? 512 CLA C CMA 1 +HETATM 52682 C CAA . CLA XC 23 . ? 42.798 -83.066 -43.688 1.00 66.70 ? 512 CLA C CAA 1 +HETATM 52683 C CBA . CLA XC 23 . ? 41.456 -83.393 -44.324 1.00 70.08 ? 512 CLA C CBA 1 +HETATM 52684 C CGA . CLA XC 23 . ? 41.108 -84.857 -44.133 1.00 78.91 ? 512 CLA C CGA 1 +HETATM 52685 O O1A . CLA XC 23 . ? 41.815 -85.612 -43.483 1.00 80.59 ? 512 CLA C O1A 1 +HETATM 52686 O O2A . CLA XC 23 . ? 39.874 -85.366 -44.699 1.00 69.76 ? 512 CLA C O2A 1 +HETATM 52687 N NB . CLA XC 23 . ? 40.531 -77.846 -46.124 1.00 55.47 ? 512 CLA C NB 1 +HETATM 52688 C C1B . CLA XC 23 . ? 41.586 -78.243 -46.859 1.00 62.38 ? 512 CLA C C1B 1 +HETATM 52689 C C2B . CLA XC 23 . ? 41.711 -77.577 -48.192 1.00 67.05 ? 512 CLA C C2B 1 +HETATM 52690 C C3B . CLA XC 23 . ? 40.533 -76.658 -48.160 1.00 49.13 ? 512 CLA C C3B 1 +HETATM 52691 C C4B . CLA XC 23 . ? 39.888 -76.929 -46.847 1.00 55.92 ? 512 CLA C C4B 1 +HETATM 52692 C CMB . CLA XC 23 . ? 42.760 -77.783 -49.261 1.00 58.95 ? 512 CLA C CMB 1 +HETATM 52693 C CAB . CLA XC 23 . ? 40.010 -75.691 -49.148 1.00 52.46 ? 512 CLA C CAB 1 +HETATM 52694 C CBB . CLA XC 23 . ? 40.720 -75.314 -50.190 1.00 52.08 ? 512 CLA C CBB 1 +HETATM 52695 N NC . CLA XC 23 . ? 38.357 -77.215 -44.131 1.00 60.61 ? 512 CLA C NC 1 +HETATM 52696 C C1C . CLA XC 23 . ? 37.920 -76.466 -45.160 1.00 55.45 ? 512 CLA C C1C 1 +HETATM 52697 C C2C . CLA XC 23 . ? 36.579 -75.836 -44.953 1.00 54.78 ? 512 CLA C C2C 1 +HETATM 52698 C C3C . CLA XC 23 . ? 36.191 -76.287 -43.619 1.00 53.63 ? 512 CLA C C3C 1 +HETATM 52699 C C4C . CLA XC 23 . ? 37.355 -77.119 -43.214 1.00 61.03 ? 512 CLA C C4C 1 +HETATM 52700 C CMC . CLA XC 23 . ? 35.766 -74.953 -45.861 1.00 55.78 ? 512 CLA C CMC 1 +HETATM 52701 C CAC . CLA XC 23 . ? 34.918 -75.976 -42.862 1.00 59.73 ? 512 CLA C CAC 1 +HETATM 52702 C CBC . CLA XC 23 . ? 33.968 -77.131 -43.120 1.00 58.04 ? 512 CLA C CBC 1 +HETATM 52703 N ND . CLA XC 23 . ? 39.326 -79.033 -42.449 1.00 60.51 ? 512 CLA C ND 1 +HETATM 52704 C C1D . CLA XC 23 . ? 38.258 -78.753 -41.544 1.00 57.16 ? 512 CLA C C1D 1 +HETATM 52705 C C2D . CLA XC 23 . ? 38.235 -79.546 -40.299 1.00 57.98 ? 512 CLA C C2D 1 +HETATM 52706 C C3D . CLA XC 23 . ? 39.444 -80.389 -40.524 1.00 59.74 ? 512 CLA C C3D 1 +HETATM 52707 C C4D . CLA XC 23 . ? 39.996 -80.015 -41.741 1.00 58.93 ? 512 CLA C C4D 1 +HETATM 52708 C CMD . CLA XC 23 . ? 37.338 -79.604 -39.092 1.00 52.00 ? 512 CLA C CMD 1 +HETATM 52709 C CAD . CLA XC 23 . ? 40.291 -81.478 -39.959 1.00 58.33 ? 512 CLA C CAD 1 +HETATM 52710 O OBD . CLA XC 23 . ? 40.099 -82.035 -38.831 1.00 63.41 ? 512 CLA C OBD 1 +HETATM 52711 C CBD . CLA XC 23 . ? 41.402 -81.787 -40.892 1.00 73.02 ? 512 CLA C CBD 1 +HETATM 52712 C CGD . CLA XC 23 . ? 42.707 -81.599 -40.157 1.00 68.89 ? 512 CLA C CGD 1 +HETATM 52713 O O1D . CLA XC 23 . ? 43.157 -80.498 -39.872 1.00 67.24 ? 512 CLA C O1D 1 +HETATM 52714 O O2D . CLA XC 23 . ? 43.483 -82.762 -39.760 1.00 80.14 ? 512 CLA C O2D 1 +HETATM 52715 C CED . CLA XC 23 . ? 44.666 -82.589 -38.984 1.00 65.27 ? 512 CLA C CED 1 +HETATM 52716 C C1 . CLA XC 23 . ? 39.623 -86.732 -44.998 1.00 72.75 ? 512 CLA C C1 1 +HETATM 52717 C C2 . CLA XC 23 . ? 38.506 -86.700 -46.008 1.00 70.84 ? 512 CLA C C2 1 +HETATM 52718 C C3 . CLA XC 23 . ? 38.345 -87.646 -46.937 1.00 84.04 ? 512 CLA C C3 1 +HETATM 52719 C C4 . CLA XC 23 . ? 39.298 -88.802 -47.011 1.00 74.39 ? 512 CLA C C4 1 +HETATM 52720 C C5 . CLA XC 23 . ? 37.206 -87.539 -47.929 1.00 74.95 ? 512 CLA C C5 1 +HETATM 52721 C C6 . CLA XC 23 . ? 37.692 -87.193 -49.327 1.00 68.18 ? 512 CLA C C6 1 +HETATM 52722 C C7 . CLA XC 23 . ? 38.775 -86.121 -49.307 1.00 64.54 ? 512 CLA C C7 1 +HETATM 52723 C C8 . CLA XC 23 . ? 39.441 -85.971 -50.666 1.00 70.32 ? 512 CLA C C8 1 +HETATM 52724 C C9 . CLA XC 23 . ? 40.738 -85.195 -50.525 1.00 77.08 ? 512 CLA C C9 1 +HETATM 52725 C C10 . CLA XC 23 . ? 38.500 -85.289 -51.654 1.00 78.37 ? 512 CLA C C10 1 +HETATM 52726 C C11 . CLA XC 23 . ? 39.231 -84.950 -52.954 1.00 69.06 ? 512 CLA C C11 1 +HETATM 52727 C C12 . CLA XC 23 . ? 38.333 -85.208 -54.151 1.00 72.66 ? 512 CLA C C12 1 +HETATM 52728 C C13 . CLA XC 23 . ? 39.012 -84.797 -55.459 1.00 81.18 ? 512 CLA C C13 1 +HETATM 52729 C C14 . CLA XC 23 . ? 37.975 -84.415 -56.506 1.00 60.75 ? 512 CLA C C14 1 +HETATM 52730 C C15 . CLA XC 23 . ? 39.900 -85.934 -55.962 1.00 72.43 ? 512 CLA C C15 1 +HETATM 52731 C C16 . CLA XC 23 . ? 40.892 -85.475 -57.022 1.00 66.32 ? 512 CLA C C16 1 +HETATM 52732 C C17 . CLA XC 23 . ? 41.916 -86.571 -57.270 1.00 77.67 ? 512 CLA C C17 1 +HETATM 52733 C C18 . CLA XC 23 . ? 42.610 -86.399 -58.618 1.00 76.49 ? 512 CLA C C18 1 +HETATM 52734 C C19 . CLA XC 23 . ? 43.431 -87.636 -58.968 1.00 81.38 ? 512 CLA C C19 1 +HETATM 52735 C C20 . CLA XC 23 . ? 43.504 -85.172 -58.613 1.00 79.77 ? 512 CLA C C20 1 +HETATM 52736 MG MG . CLA YC 23 . ? 58.028 -73.817 -52.285 1.00 63.99 ? 513 CLA C MG 1 +HETATM 52737 C CHA . CLA YC 23 . ? 54.815 -73.391 -53.546 1.00 58.47 ? 513 CLA C CHA 1 +HETATM 52738 C CHB . CLA YC 23 . ? 59.161 -73.363 -55.444 1.00 71.20 ? 513 CLA C CHB 1 +HETATM 52739 C CHC . CLA YC 23 . ? 61.048 -74.997 -51.209 1.00 69.17 ? 513 CLA C CHC 1 +HETATM 52740 C CHD . CLA YC 23 . ? 56.493 -74.986 -49.118 1.00 64.21 ? 513 CLA C CHD 1 +HETATM 52741 N NA . CLA YC 23 . ? 57.157 -73.495 -54.157 1.00 63.25 ? 513 CLA C NA 1 +HETATM 52742 C C1A . CLA YC 23 . ? 55.947 -73.209 -54.487 1.00 69.85 ? 513 CLA C C1A 1 +HETATM 52743 C C2A . CLA YC 23 . ? 55.679 -72.818 -55.927 1.00 76.01 ? 513 CLA C C2A 1 +HETATM 52744 C C3A . CLA YC 23 . ? 57.091 -72.833 -56.488 1.00 75.14 ? 513 CLA C C3A 1 +HETATM 52745 C C4A . CLA YC 23 . ? 57.849 -73.255 -55.272 1.00 69.85 ? 513 CLA C C4A 1 +HETATM 52746 C CMA . CLA YC 23 . ? 57.220 -73.983 -57.477 1.00 71.60 ? 513 CLA C CMA 1 +HETATM 52747 C CAA . CLA YC 23 . ? 55.042 -71.444 -56.166 1.00 65.24 ? 513 CLA C CAA 1 +HETATM 52748 C CBA . CLA YC 23 . ? 54.656 -71.349 -57.648 1.00 71.72 ? 513 CLA C CBA 1 +HETATM 52749 C CGA . CLA YC 23 . ? 54.212 -69.951 -58.033 1.00 78.87 ? 513 CLA C CGA 1 +HETATM 52750 O O1A . CLA YC 23 . ? 53.044 -69.610 -57.979 1.00 94.76 ? 513 CLA C O1A 1 +HETATM 52751 O O2A . CLA YC 23 . ? 55.160 -68.956 -58.489 1.00 86.27 ? 513 CLA C O2A 1 +HETATM 52752 N NB . CLA YC 23 . ? 59.835 -74.140 -53.204 1.00 74.68 ? 513 CLA C NB 1 +HETATM 52753 C C1B . CLA YC 23 . ? 60.149 -73.819 -54.461 1.00 70.46 ? 513 CLA C C1B 1 +HETATM 52754 C C2B . CLA YC 23 . ? 61.569 -74.022 -54.834 1.00 82.46 ? 513 CLA C C2B 1 +HETATM 52755 C C3B . CLA YC 23 . ? 62.139 -74.514 -53.564 1.00 82.89 ? 513 CLA C C3B 1 +HETATM 52756 C C4B . CLA YC 23 . ? 60.971 -74.566 -52.626 1.00 59.69 ? 513 CLA C C4B 1 +HETATM 52757 C CMB . CLA YC 23 . ? 62.267 -73.767 -56.142 1.00 79.44 ? 513 CLA C CMB 1 +HETATM 52758 C CAB . CLA YC 23 . ? 63.562 -74.871 -53.335 1.00 75.06 ? 513 CLA C CAB 1 +HETATM 52759 C CBB . CLA YC 23 . ? 63.899 -75.983 -52.725 1.00 79.17 ? 513 CLA C CBB 1 +HETATM 52760 N NC . CLA YC 23 . ? 58.616 -74.777 -50.542 1.00 73.20 ? 513 CLA C NC 1 +HETATM 52761 C C1C . CLA YC 23 . ? 59.891 -75.166 -50.292 1.00 65.24 ? 513 CLA C C1C 1 +HETATM 52762 C C2C . CLA YC 23 . ? 60.078 -75.821 -48.957 1.00 70.81 ? 513 CLA C C2C 1 +HETATM 52763 C C3C . CLA YC 23 . ? 58.722 -75.804 -48.370 1.00 64.90 ? 513 CLA C C3C 1 +HETATM 52764 C C4C . CLA YC 23 . ? 57.924 -75.145 -49.428 1.00 72.18 ? 513 CLA C C4C 1 +HETATM 52765 C CMC . CLA YC 23 . ? 61.327 -76.371 -48.325 1.00 66.03 ? 513 CLA C CMC 1 +HETATM 52766 C CAC . CLA YC 23 . ? 58.232 -76.315 -47.036 1.00 68.58 ? 513 CLA C CAC 1 +HETATM 52767 C CBC . CLA YC 23 . ? 57.620 -77.673 -47.332 1.00 71.94 ? 513 CLA C CBC 1 +HETATM 52768 N ND . CLA YC 23 . ? 56.196 -74.168 -51.468 1.00 63.19 ? 513 CLA C ND 1 +HETATM 52769 C C1D . CLA YC 23 . ? 55.624 -74.557 -50.211 1.00 72.94 ? 513 CLA C C1D 1 +HETATM 52770 C C2D . CLA YC 23 . ? 54.151 -74.477 -50.125 1.00 56.14 ? 513 CLA C C2D 1 +HETATM 52771 C C3D . CLA YC 23 . ? 53.845 -73.997 -51.504 1.00 67.73 ? 513 CLA C C3D 1 +HETATM 52772 C C4D . CLA YC 23 . ? 55.048 -73.842 -52.168 1.00 54.94 ? 513 CLA C C4D 1 +HETATM 52773 C CMD . CLA YC 23 . ? 53.140 -74.748 -49.056 1.00 58.82 ? 513 CLA C CMD 1 +HETATM 52774 C CAD . CLA YC 23 . ? 52.760 -73.597 -52.437 1.00 57.11 ? 513 CLA C CAD 1 +HETATM 52775 O OBD . CLA YC 23 . ? 51.513 -73.606 -52.143 1.00 70.31 ? 513 CLA C OBD 1 +HETATM 52776 C CBD . CLA YC 23 . ? 53.358 -73.190 -53.729 1.00 64.62 ? 513 CLA C CBD 1 +HETATM 52777 C CGD . CLA YC 23 . ? 52.769 -73.939 -54.878 1.00 65.74 ? 513 CLA C CGD 1 +HETATM 52778 O O1D . CLA YC 23 . ? 52.077 -73.362 -55.689 1.00 66.66 ? 513 CLA C O1D 1 +HETATM 52779 O O2D . CLA YC 23 . ? 52.982 -75.354 -55.020 1.00 65.97 ? 513 CLA C O2D 1 +HETATM 52780 C CED . CLA YC 23 . ? 52.181 -76.061 -55.955 1.00 73.34 ? 513 CLA C CED 1 +HETATM 52781 C C1 . CLA YC 23 . ? 54.752 -68.024 -59.495 1.00 90.15 ? 513 CLA C C1 1 +HETATM 52782 C C2 . CLA YC 23 . ? 55.907 -67.758 -60.435 1.00 70.61 ? 513 CLA C C2 1 +HETATM 52783 C C3 . CLA YC 23 . ? 55.969 -68.405 -61.597 1.00 80.32 ? 513 CLA C C3 1 +HETATM 52784 C C4 . CLA YC 23 . ? 54.875 -69.374 -61.923 1.00 76.03 ? 513 CLA C C4 1 +HETATM 52785 C C5 . CLA YC 23 . ? 57.120 -68.163 -62.547 1.00 74.74 ? 513 CLA C C5 1 +HETATM 52786 C C6 . CLA YC 23 . ? 57.672 -69.456 -63.136 1.00 82.50 ? 513 CLA C C6 1 +HETATM 52787 C C7 . CLA YC 23 . ? 58.787 -70.040 -62.276 1.00 85.32 ? 513 CLA C C7 1 +HETATM 52788 C C8 . CLA YC 23 . ? 59.259 -71.379 -62.820 1.00 98.42 ? 513 CLA C C8 1 +HETATM 52789 C C9 . CLA YC 23 . ? 58.103 -72.175 -63.412 1.00 102.27 ? 513 CLA C C9 1 +HETATM 52790 C C10 . CLA YC 23 . ? 59.921 -72.181 -61.705 1.00 107.46 ? 513 CLA C C10 1 +HETATM 52791 C C11 . CLA YC 23 . ? 61.391 -71.813 -61.542 1.00 115.87 ? 513 CLA C C11 1 +HETATM 52792 C C12 . CLA YC 23 . ? 62.049 -72.700 -60.485 1.00 117.75 ? 513 CLA C C12 1 +HETATM 52793 C C13 . CLA YC 23 . ? 63.371 -73.262 -60.999 1.00 136.24 ? 513 CLA C C13 1 +HETATM 52794 C C14 . CLA YC 23 . ? 63.131 -74.491 -61.879 1.00 110.50 ? 513 CLA C C14 1 +HETATM 52795 C C15 . CLA YC 23 . ? 64.304 -73.610 -59.840 1.00 134.26 ? 513 CLA C C15 1 +HETATM 52796 C C16 . CLA YC 23 . ? 64.790 -72.451 -58.966 1.00 109.50 ? 513 CLA C C16 1 +HETATM 52797 C C17 . CLA YC 23 . ? 65.670 -73.052 -57.868 1.00 122.75 ? 513 CLA C C17 1 +HETATM 52798 C C18 . CLA YC 23 . ? 66.294 -72.065 -56.888 1.00 114.89 ? 513 CLA C C18 1 +HETATM 52799 C C19 . CLA YC 23 . ? 67.301 -72.797 -56.004 1.00 123.15 ? 513 CLA C C19 1 +HETATM 52800 C C20 . CLA YC 23 . ? 65.243 -71.379 -56.021 1.00 112.73 ? 513 CLA C C20 1 +HETATM 52801 MG MG . CLA ZC 23 . ? 55.425 -83.594 -53.079 1.00 70.83 ? 514 CLA C MG 1 +HETATM 52802 C CHA . CLA ZC 23 . ? 57.020 -86.447 -51.900 1.00 76.31 ? 514 CLA C CHA 1 +HETATM 52803 C CHB . CLA ZC 23 . ? 57.629 -81.741 -51.287 1.00 75.01 ? 514 CLA C CHB 1 +HETATM 52804 C CHC . CLA ZC 23 . ? 54.275 -80.866 -54.741 1.00 69.32 ? 514 CLA C CHC 1 +HETATM 52805 C CHD . CLA ZC 23 . ? 53.566 -85.746 -55.424 1.00 70.38 ? 514 CLA C CHD 1 +HETATM 52806 N NA . CLA ZC 23 . ? 57.058 -83.989 -51.850 1.00 77.62 ? 514 CLA C NA 1 +HETATM 52807 C C1A . CLA ZC 23 . ? 57.505 -85.117 -51.411 1.00 83.19 ? 514 CLA C C1A 1 +HETATM 52808 C C2A . CLA ZC 23 . ? 58.603 -85.074 -50.392 1.00 83.17 ? 514 CLA C C2A 1 +HETATM 52809 C C3A . CLA ZC 23 . ? 58.750 -83.579 -50.171 1.00 92.66 ? 514 CLA C C3A 1 +HETATM 52810 C C4A . CLA ZC 23 . ? 57.740 -83.065 -51.166 1.00 67.85 ? 514 CLA C C4A 1 +HETATM 52811 C CMA . CLA ZC 23 . ? 58.326 -83.269 -48.732 1.00 74.69 ? 514 CLA C CMA 1 +HETATM 52812 C CAA . CLA ZC 23 . ? 59.903 -85.527 -51.070 1.00 83.31 ? 514 CLA C CAA 1 +HETATM 52813 C CBA . CLA ZC 23 . ? 60.139 -84.779 -52.386 1.00 83.60 ? 514 CLA C CBA 1 +HETATM 52814 C CGA . CLA ZC 23 . ? 61.526 -84.946 -52.963 1.00 89.75 ? 514 CLA C CGA 1 +HETATM 52815 O O1A . CLA ZC 23 . ? 62.483 -85.203 -52.255 1.00 118.08 ? 514 CLA C O1A 1 +HETATM 52816 O O2A . CLA ZC 23 . ? 61.749 -84.800 -54.391 1.00 101.90 ? 514 CLA C O2A 1 +HETATM 52817 N NB . CLA ZC 23 . ? 55.909 -81.603 -53.035 1.00 73.94 ? 514 CLA C NB 1 +HETATM 52818 C C1B . CLA ZC 23 . ? 56.731 -80.988 -52.184 1.00 65.73 ? 514 CLA C C1B 1 +HETATM 52819 C C2B . CLA ZC 23 . ? 56.680 -79.496 -52.222 1.00 74.03 ? 514 CLA C C2B 1 +HETATM 52820 C C3B . CLA ZC 23 . ? 55.653 -79.265 -53.271 1.00 75.39 ? 514 CLA C C3B 1 +HETATM 52821 C C4B . CLA ZC 23 . ? 55.269 -80.633 -53.690 1.00 66.74 ? 514 CLA C C4B 1 +HETATM 52822 C CMB . CLA ZC 23 . ? 57.454 -78.501 -51.401 1.00 67.31 ? 514 CLA C CMB 1 +HETATM 52823 C CAB . CLA ZC 23 . ? 55.076 -78.018 -53.835 1.00 71.32 ? 514 CLA C CAB 1 +HETATM 52824 C CBB . CLA ZC 23 . ? 55.731 -76.873 -53.802 1.00 75.27 ? 514 CLA C CBB 1 +HETATM 52825 N NC . CLA ZC 23 . ? 54.151 -83.370 -54.700 1.00 75.76 ? 514 CLA C NC 1 +HETATM 52826 C C1C . CLA ZC 23 . ? 53.909 -82.185 -55.283 1.00 64.21 ? 514 CLA C C1C 1 +HETATM 52827 C C2C . CLA ZC 23 . ? 53.193 -82.261 -56.586 1.00 64.13 ? 514 CLA C C2C 1 +HETATM 52828 C C3C . CLA ZC 23 . ? 52.990 -83.709 -56.768 1.00 59.48 ? 514 CLA C C3C 1 +HETATM 52829 C C4C . CLA ZC 23 . ? 53.612 -84.277 -55.557 1.00 66.59 ? 514 CLA C C4C 1 +HETATM 52830 C CMC . CLA ZC 23 . ? 52.768 -81.150 -57.514 1.00 60.40 ? 514 CLA C CMC 1 +HETATM 52831 C CAC . CLA ZC 23 . ? 52.331 -84.437 -57.911 1.00 70.40 ? 514 CLA C CAC 1 +HETATM 52832 C CBC . CLA ZC 23 . ? 53.391 -84.492 -58.989 1.00 62.08 ? 514 CLA C CBC 1 +HETATM 52833 N ND . CLA ZC 23 . ? 55.297 -85.550 -53.644 1.00 77.08 ? 514 CLA C ND 1 +HETATM 52834 C C1D . CLA ZC 23 . ? 54.479 -86.384 -54.477 1.00 78.85 ? 514 CLA C C1D 1 +HETATM 52835 C C2D . CLA ZC 23 . ? 54.641 -87.848 -54.303 1.00 74.57 ? 514 CLA C C2D 1 +HETATM 52836 C C3D . CLA ZC 23 . ? 55.684 -87.851 -53.234 1.00 81.14 ? 514 CLA C C3D 1 +HETATM 52837 C C4D . CLA ZC 23 . ? 55.981 -86.531 -52.938 1.00 77.82 ? 514 CLA C C4D 1 +HETATM 52838 C CMD . CLA ZC 23 . ? 54.020 -89.068 -54.921 1.00 68.65 ? 514 CLA C CMD 1 +HETATM 52839 C CAD . CLA ZC 23 . ? 56.550 -88.697 -52.368 1.00 85.26 ? 514 CLA C CAD 1 +HETATM 52840 O OBD . CLA ZC 23 . ? 56.542 -89.978 -52.354 1.00 94.14 ? 514 CLA C OBD 1 +HETATM 52841 C CBD . CLA ZC 23 . ? 57.392 -87.838 -51.503 1.00 86.06 ? 514 CLA C CBD 1 +HETATM 52842 C CGD . CLA ZC 23 . ? 56.971 -88.160 -50.101 1.00 81.15 ? 514 CLA C CGD 1 +HETATM 52843 O O1D . CLA ZC 23 . ? 56.064 -87.566 -49.544 1.00 94.20 ? 514 CLA C O1D 1 +HETATM 52844 O O2D . CLA ZC 23 . ? 57.635 -89.228 -49.384 1.00 90.91 ? 514 CLA C O2D 1 +HETATM 52845 C CED . CLA ZC 23 . ? 56.982 -89.826 -48.265 1.00 98.71 ? 514 CLA C CED 1 +HETATM 52846 C C1 . CLA ZC 23 . ? 63.062 -84.550 -54.893 1.00 97.66 ? 514 CLA C C1 1 +HETATM 52847 C C2 . CLA ZC 23 . ? 63.029 -83.434 -55.908 1.00 105.38 ? 514 CLA C C2 1 +HETATM 52848 C C3 . CLA ZC 23 . ? 62.789 -83.692 -57.200 1.00 93.60 ? 514 CLA C C3 1 +HETATM 52849 C C4 . CLA ZC 23 . ? 62.542 -85.092 -57.667 1.00 104.64 ? 514 CLA C C4 1 +HETATM 52850 C C5 . CLA ZC 23 . ? 62.760 -82.564 -58.197 1.00 105.42 ? 514 CLA C C5 1 +HETATM 52851 C C6 . CLA ZC 23 . ? 61.478 -82.585 -59.015 1.00 104.05 ? 514 CLA C C6 1 +HETATM 52852 C C7 . CLA ZC 23 . ? 61.473 -81.469 -60.053 1.00 120.52 ? 514 CLA C C7 1 +HETATM 52853 C C8 . CLA ZC 23 . ? 60.087 -81.291 -60.660 1.00 109.25 ? 514 CLA C C8 1 +HETATM 52854 C C9 . CLA ZC 23 . ? 59.336 -82.615 -60.781 1.00 107.71 ? 514 CLA C C9 1 +HETATM 52855 C C10 . CLA ZC 23 . ? 60.245 -80.633 -62.017 1.00 111.10 ? 514 CLA C C10 1 +HETATM 52856 C C11 . CLA ZC 23 . ? 59.620 -79.249 -62.007 1.00 113.25 ? 514 CLA C C11 1 +HETATM 52857 C C12 . CLA ZC 23 . ? 60.438 -78.245 -61.201 1.00 118.64 ? 514 CLA C C12 1 +HETATM 52858 C C13 . CLA ZC 23 . ? 59.834 -76.850 -61.342 1.00 116.43 ? 514 CLA C C13 1 +HETATM 52859 C C14 . CLA ZC 23 . ? 60.240 -75.940 -60.185 1.00 109.24 ? 514 CLA C C14 1 +HETATM 52860 C C15 . CLA ZC 23 . ? 58.319 -77.008 -61.418 1.00 112.21 ? 514 CLA C C15 1 +HETATM 52861 C C16 . CLA ZC 23 . ? 57.567 -75.711 -61.680 1.00 115.97 ? 514 CLA C C16 1 +HETATM 52862 C C17 . CLA ZC 23 . ? 56.125 -75.904 -61.234 1.00 104.91 ? 514 CLA C C17 1 +HETATM 52863 C C18 . CLA ZC 23 . ? 55.354 -74.603 -61.329 1.00 90.90 ? 514 CLA C C18 1 +HETATM 52864 C C19 . CLA ZC 23 . ? 53.987 -74.731 -60.674 1.00 83.05 ? 514 CLA C C19 1 +HETATM 52865 C C20 . CLA ZC 23 . ? 55.220 -74.224 -62.789 1.00 102.12 ? 514 CLA C C20 1 +HETATM 52866 C C1 . BCR AD 25 . ? 47.460 -79.131 -76.974 1.00 70.96 ? 515 BCR C C1 1 +HETATM 52867 C C2 . BCR AD 25 . ? 46.376 -79.072 -78.046 1.00 71.21 ? 515 BCR C C2 1 +HETATM 52868 C C3 . BCR AD 25 . ? 44.996 -79.136 -77.422 1.00 66.91 ? 515 BCR C C3 1 +HETATM 52869 C C4 . BCR AD 25 . ? 44.814 -80.460 -76.697 1.00 63.35 ? 515 BCR C C4 1 +HETATM 52870 C C5 . BCR AD 25 . ? 46.002 -80.816 -75.829 1.00 68.43 ? 515 BCR C C5 1 +HETATM 52871 C C6 . BCR AD 25 . ? 47.204 -80.222 -75.951 1.00 55.24 ? 515 BCR C C6 1 +HETATM 52872 C C7 . BCR AD 25 . ? 48.318 -80.643 -75.059 1.00 68.78 ? 515 BCR C C7 1 +HETATM 52873 C C8 . BCR AD 25 . ? 48.383 -80.373 -73.747 1.00 80.25 ? 515 BCR C C8 1 +HETATM 52874 C C9 . BCR AD 25 . ? 49.519 -80.846 -72.923 1.00 78.07 ? 515 BCR C C9 1 +HETATM 52875 C C10 . BCR AD 25 . ? 49.767 -80.278 -71.731 1.00 77.72 ? 515 BCR C C10 1 +HETATM 52876 C C11 . BCR AD 25 . ? 50.878 -80.646 -70.842 1.00 73.78 ? 515 BCR C C11 1 +HETATM 52877 C C33 . BCR AD 25 . ? 45.782 -81.898 -74.803 1.00 64.58 ? 515 BCR C C33 1 +HETATM 52878 C C31 . BCR AD 25 . ? 47.530 -77.778 -76.260 1.00 63.78 ? 515 BCR C C31 1 +HETATM 52879 C C32 . BCR AD 25 . ? 48.786 -79.412 -77.672 1.00 68.04 ? 515 BCR C C32 1 +HETATM 52880 C C34 . BCR AD 25 . ? 50.367 -81.981 -73.420 1.00 93.52 ? 515 BCR C C34 1 +HETATM 52881 C C12 . BCR AD 25 . ? 50.849 -80.199 -69.586 1.00 86.85 ? 515 BCR C C12 1 +HETATM 52882 C C13 . BCR AD 25 . ? 51.919 -80.443 -68.596 1.00 91.32 ? 515 BCR C C13 1 +HETATM 52883 C C14 . BCR AD 25 . ? 51.706 -80.136 -67.296 1.00 76.99 ? 515 BCR C C14 1 +HETATM 52884 C C15 . BCR AD 25 . ? 52.726 -80.304 -66.252 1.00 83.86 ? 515 BCR C C15 1 +HETATM 52885 C C16 . BCR AD 25 . ? 52.525 -79.878 -64.996 1.00 77.70 ? 515 BCR C C16 1 +HETATM 52886 C C17 . BCR AD 25 . ? 53.562 -80.041 -63.968 1.00 79.05 ? 515 BCR C C17 1 +HETATM 52887 C C18 . BCR AD 25 . ? 53.431 -79.629 -62.683 1.00 83.24 ? 515 BCR C C18 1 +HETATM 52888 C C19 . BCR AD 25 . ? 54.554 -79.841 -61.742 1.00 73.27 ? 515 BCR C C19 1 +HETATM 52889 C C20 . BCR AD 25 . ? 54.581 -79.365 -60.498 1.00 71.42 ? 515 BCR C C20 1 +HETATM 52890 C C21 . BCR AD 25 . ? 55.765 -79.661 -59.694 1.00 81.32 ? 515 BCR C C21 1 +HETATM 52891 C C22 . BCR AD 25 . ? 56.053 -79.101 -58.503 1.00 87.70 ? 515 BCR C C22 1 +HETATM 52892 C C23 . BCR AD 25 . ? 57.192 -79.471 -57.893 1.00 75.96 ? 515 BCR C C23 1 +HETATM 52893 C C24 . BCR AD 25 . ? 57.435 -79.216 -56.613 1.00 77.46 ? 515 BCR C C24 1 +HETATM 52894 C C25 . BCR AD 25 . ? 58.698 -79.603 -55.933 1.00 71.60 ? 515 BCR C C25 1 +HETATM 52895 C C26 . BCR AD 25 . ? 58.911 -80.860 -55.502 1.00 90.09 ? 515 BCR C C26 1 +HETATM 52896 C C27 . BCR AD 25 . ? 60.193 -81.254 -54.793 1.00 85.75 ? 515 BCR C C27 1 +HETATM 52897 C C28 . BCR AD 25 . ? 61.320 -80.280 -55.103 1.00 92.46 ? 515 BCR C C28 1 +HETATM 52898 C C29 . BCR AD 25 . ? 60.854 -78.869 -54.807 1.00 80.04 ? 515 BCR C C29 1 +HETATM 52899 C C30 . BCR AD 25 . ? 59.712 -78.485 -55.738 1.00 86.21 ? 515 BCR C C30 1 +HETATM 52900 C C35 . BCR AD 25 . ? 53.242 -80.962 -69.071 1.00 73.46 ? 515 BCR C C35 1 +HETATM 52901 C C36 . BCR AD 25 . ? 52.175 -78.971 -62.191 1.00 72.06 ? 515 BCR C C36 1 +HETATM 52902 C C37 . BCR AD 25 . ? 55.155 -78.074 -57.878 1.00 70.63 ? 515 BCR C C37 1 +HETATM 52903 C C38 . BCR AD 25 . ? 57.881 -81.943 -55.697 1.00 71.66 ? 515 BCR C C38 1 +HETATM 52904 C C39 . BCR AD 25 . ? 60.285 -78.097 -57.094 1.00 78.76 ? 515 BCR C C39 1 +HETATM 52905 C C40 . BCR AD 25 . ? 58.979 -77.294 -55.130 1.00 75.67 ? 515 BCR C C40 1 +HETATM 52906 C C1 . BCR BD 25 . ? 56.977 -53.047 -38.198 1.00 85.57 ? 516 BCR C C1 1 +HETATM 52907 C C2 . BCR BD 25 . ? 57.385 -52.722 -36.760 1.00 61.42 ? 516 BCR C C2 1 +HETATM 52908 C C3 . BCR BD 25 . ? 58.213 -51.448 -36.672 1.00 61.34 ? 516 BCR C C3 1 +HETATM 52909 C C4 . BCR BD 25 . ? 57.408 -50.272 -37.195 1.00 61.24 ? 516 BCR C C4 1 +HETATM 52910 C C5 . BCR BD 25 . ? 56.904 -50.564 -38.590 1.00 67.91 ? 516 BCR C C5 1 +HETATM 52911 C C6 . BCR BD 25 . ? 56.714 -51.820 -39.045 1.00 61.94 ? 516 BCR C C6 1 +HETATM 52912 C C7 . BCR BD 25 . ? 56.207 -52.032 -40.418 1.00 67.19 ? 516 BCR C C7 1 +HETATM 52913 C C8 . BCR BD 25 . ? 56.951 -51.953 -41.529 1.00 73.82 ? 516 BCR C C8 1 +HETATM 52914 C C9 . BCR BD 25 . ? 56.315 -52.149 -42.852 1.00 70.94 ? 516 BCR C C9 1 +HETATM 52915 C C10 . BCR BD 25 . ? 56.977 -51.776 -43.964 1.00 66.58 ? 516 BCR C C10 1 +HETATM 52916 C C11 . BCR BD 25 . ? 56.422 -51.921 -45.308 1.00 57.57 ? 516 BCR C C11 1 +HETATM 52917 C C33 . BCR BD 25 . ? 56.613 -49.376 -39.464 1.00 76.24 ? 516 BCR C C33 1 +HETATM 52918 C C31 . BCR BD 25 . ? 55.710 -53.896 -38.172 1.00 68.85 ? 516 BCR C C31 1 +HETATM 52919 C C32 . BCR BD 25 . ? 58.095 -53.818 -38.890 1.00 90.39 ? 516 BCR C C32 1 +HETATM 52920 C C34 . BCR BD 25 . ? 54.934 -52.730 -42.939 1.00 60.95 ? 516 BCR C C34 1 +HETATM 52921 C C12 . BCR BD 25 . ? 57.203 -51.680 -46.365 1.00 67.36 ? 516 BCR C C12 1 +HETATM 52922 C C13 . BCR BD 25 . ? 56.735 -51.798 -47.768 1.00 63.76 ? 516 BCR C C13 1 +HETATM 52923 C C14 . BCR BD 25 . ? 57.636 -51.584 -48.753 1.00 59.04 ? 516 BCR C C14 1 +HETATM 52924 C C15 . BCR BD 25 . ? 57.365 -51.648 -50.201 1.00 65.26 ? 516 BCR C C15 1 +HETATM 52925 C C16 . BCR BD 25 . ? 58.341 -51.434 -51.097 1.00 60.69 ? 516 BCR C C16 1 +HETATM 52926 C C17 . BCR BD 25 . ? 58.045 -51.496 -52.529 1.00 59.28 ? 516 BCR C C17 1 +HETATM 52927 C C18 . BCR BD 25 . ? 58.952 -51.486 -53.535 1.00 74.21 ? 516 BCR C C18 1 +HETATM 52928 C C19 . BCR BD 25 . ? 58.430 -51.553 -54.926 1.00 57.36 ? 516 BCR C C19 1 +HETATM 52929 C C20 . BCR BD 25 . ? 59.139 -51.321 -56.039 1.00 67.37 ? 516 BCR C C20 1 +HETATM 52930 C C21 . BCR BD 25 . ? 58.432 -51.395 -57.327 1.00 59.76 ? 516 BCR C C21 1 +HETATM 52931 C C22 . BCR BD 25 . ? 58.953 -51.154 -58.548 1.00 76.95 ? 516 BCR C C22 1 +HETATM 52932 C C23 . BCR BD 25 . ? 58.123 -51.246 -59.613 1.00 68.92 ? 516 BCR C C23 1 +HETATM 52933 C C24 . BCR BD 25 . ? 58.461 -50.855 -60.850 1.00 64.14 ? 516 BCR C C24 1 +HETATM 52934 C C25 . BCR BD 25 . ? 57.539 -50.923 -62.023 1.00 57.83 ? 516 BCR C C25 1 +HETATM 52935 C C26 . BCR BD 25 . ? 57.037 -52.072 -62.529 1.00 59.64 ? 516 BCR C C26 1 +HETATM 52936 C C27 . BCR BD 25 . ? 56.102 -52.081 -63.727 1.00 52.67 ? 516 BCR C C27 1 +HETATM 52937 C C28 . BCR BD 25 . ? 55.429 -50.742 -63.963 1.00 56.07 ? 516 BCR C C28 1 +HETATM 52938 C C29 . BCR BD 25 . ? 56.462 -49.628 -63.956 1.00 56.23 ? 516 BCR C C29 1 +HETATM 52939 C C30 . BCR BD 25 . ? 57.202 -49.570 -62.627 1.00 66.27 ? 516 BCR C C30 1 +HETATM 52940 C C35 . BCR BD 25 . ? 55.299 -52.146 -48.048 1.00 51.16 ? 516 BCR C C35 1 +HETATM 52941 C C36 . BCR BD 25 . ? 60.424 -51.380 -53.263 1.00 61.05 ? 516 BCR C C36 1 +HETATM 52942 C C37 . BCR BD 25 . ? 60.397 -50.781 -58.723 1.00 61.76 ? 516 BCR C C37 1 +HETATM 52943 C C38 . BCR BD 25 . ? 57.366 -53.423 -61.945 1.00 53.96 ? 516 BCR C C38 1 +HETATM 52944 C C39 . BCR BD 25 . ? 56.332 -48.837 -61.609 1.00 72.16 ? 516 BCR C C39 1 +HETATM 52945 C C40 . BCR BD 25 . ? 58.511 -48.824 -62.843 1.00 58.82 ? 516 BCR C C40 1 +HETATM 52946 C C1A A DGD CD 35 . ? 43.904 -42.016 -54.985 0.40 67.50 ? 517 DGD C C1A 1 +HETATM 52947 C C1A B DGD CD 35 . ? 43.933 -42.115 -54.977 0.60 67.78 ? 517 DGD C C1A 1 +HETATM 52948 C C2A A DGD CD 35 . ? 44.197 -42.223 -53.520 0.40 68.59 ? 517 DGD C C2A 1 +HETATM 52949 C C2A B DGD CD 35 . ? 44.308 -42.315 -53.526 0.60 68.59 ? 517 DGD C C2A 1 +HETATM 52950 C C3A A DGD CD 35 . ? 44.583 -40.907 -52.873 0.40 67.99 ? 517 DGD C C3A 1 +HETATM 52951 C C3A B DGD CD 35 . ? 44.528 -40.987 -52.823 0.60 68.06 ? 517 DGD C C3A 1 +HETATM 52952 C C4A A DGD CD 35 . ? 44.788 -41.158 -51.382 0.40 74.46 ? 517 DGD C C4A 1 +HETATM 52953 C C4A B DGD CD 35 . ? 44.783 -41.246 -51.342 0.60 74.52 ? 517 DGD C C4A 1 +HETATM 52954 C C5A A DGD CD 35 . ? 45.803 -42.272 -51.171 0.40 76.75 ? 517 DGD C C5A 1 +HETATM 52955 C C5A B DGD CD 35 . ? 45.841 -42.326 -51.173 0.60 76.79 ? 517 DGD C C5A 1 +HETATM 52956 C C6A A DGD CD 35 . ? 46.462 -42.178 -49.799 0.40 86.97 ? 517 DGD C C6A 1 +HETATM 52957 C C6A B DGD CD 35 . ? 46.440 -42.317 -49.773 0.60 87.04 ? 517 DGD C C6A 1 +HETATM 52958 C C7A A DGD CD 35 . ? 47.674 -43.106 -49.738 0.40 96.02 ? 517 DGD C C7A 1 +HETATM 52959 C C7A B DGD CD 35 . ? 47.666 -43.222 -49.740 0.60 96.23 ? 517 DGD C C7A 1 +HETATM 52960 C C8A A DGD CD 35 . ? 48.223 -43.269 -48.322 0.40 105.06 ? 517 DGD C C8A 1 +HETATM 52961 C C8A B DGD CD 35 . ? 48.228 -43.368 -48.331 0.60 105.18 ? 517 DGD C C8A 1 +HETATM 52962 C C9A A DGD CD 35 . ? 49.181 -42.144 -47.926 0.40 103.80 ? 517 DGD C C9A 1 +HETATM 52963 C C9A B DGD CD 35 . ? 49.159 -42.218 -47.954 0.60 103.94 ? 517 DGD C C9A 1 +HETATM 52964 C CAA A DGD CD 35 . ? 50.329 -42.703 -47.086 0.40 103.90 ? 517 DGD C CAA 1 +HETATM 52965 C CAA B DGD CD 35 . ? 50.312 -42.746 -47.104 0.60 103.93 ? 517 DGD C CAA 1 +HETATM 52966 C CBA A DGD CD 35 . ? 49.796 -43.697 -46.059 0.40 96.98 ? 517 DGD C CBA 1 +HETATM 52967 C CBA B DGD CD 35 . ? 49.793 -43.732 -46.064 0.60 96.88 ? 517 DGD C CBA 1 +HETATM 52968 C CCA A DGD CD 35 . ? 50.655 -44.956 -46.002 0.40 109.60 ? 517 DGD C CCA 1 +HETATM 52969 C CCA B DGD CD 35 . ? 50.636 -45.001 -46.038 0.60 109.70 ? 517 DGD C CCA 1 +HETATM 52970 C CDA A DGD CD 35 . ? 49.920 -46.089 -45.291 0.40 103.83 ? 517 DGD C CDA 1 +HETATM 52971 C CDA B DGD CD 35 . ? 49.941 -46.103 -45.245 0.60 103.87 ? 517 DGD C CDA 1 +HETATM 52972 C CEA A DGD CD 35 . ? 50.896 -47.149 -44.797 0.40 96.86 ? 517 DGD C CEA 1 +HETATM 52973 C CEA B DGD CD 35 . ? 50.943 -47.160 -44.797 0.60 96.84 ? 517 DGD C CEA 1 +HETATM 52974 C CFA A DGD CD 35 . ? 50.283 -48.540 -44.869 0.40 91.15 ? 517 DGD C CFA 1 +HETATM 52975 C CFA B DGD CD 35 . ? 50.354 -48.561 -44.885 0.60 91.14 ? 517 DGD C CFA 1 +HETATM 52976 C CGA A DGD CD 35 . ? 51.352 -49.601 -44.640 0.40 88.07 ? 517 DGD C CGA 1 +HETATM 52977 C CGA B DGD CD 35 . ? 51.448 -49.610 -44.734 0.60 88.13 ? 517 DGD C CGA 1 +HETATM 52978 O O1A A DGD CD 35 . ? 43.556 -40.953 -55.458 0.40 63.31 ? 517 DGD C O1A 1 +HETATM 52979 O O1A B DGD CD 35 . ? 43.524 -41.061 -55.424 0.60 63.32 ? 517 DGD C O1A 1 +HETATM 52980 C C1B A DGD CD 35 . ? 47.019 -45.027 -56.650 0.40 60.80 ? 517 DGD C C1B 1 +HETATM 52981 C C1B B DGD CD 35 . ? 47.038 -45.030 -56.682 0.60 60.92 ? 517 DGD C C1B 1 +HETATM 52982 C C2B A DGD CD 35 . ? 47.406 -46.398 -56.165 0.40 63.18 ? 517 DGD C C2B 1 +HETATM 52983 C C2B B DGD CD 35 . ? 47.412 -46.374 -56.111 0.60 63.28 ? 517 DGD C C2B 1 +HETATM 52984 C C3B A DGD CD 35 . ? 46.290 -46.955 -55.298 0.40 64.68 ? 517 DGD C C3B 1 +HETATM 52985 C C3B B DGD CD 35 . ? 46.279 -46.892 -55.239 0.60 64.71 ? 517 DGD C C3B 1 +HETATM 52986 C C4B A DGD CD 35 . ? 46.302 -46.358 -53.900 0.40 65.33 ? 517 DGD C C4B 1 +HETATM 52987 C C4B B DGD CD 35 . ? 46.363 -46.309 -53.836 0.60 65.32 ? 517 DGD C C4B 1 +HETATM 52988 C C5B A DGD CD 35 . ? 45.460 -47.252 -52.991 0.40 74.92 ? 517 DGD C C5B 1 +HETATM 52989 C C5B B DGD CD 35 . ? 45.487 -47.118 -52.887 0.60 75.76 ? 517 DGD C C5B 1 +HETATM 52990 C C6B A DGD CD 35 . ? 44.011 -46.781 -52.933 0.40 68.79 ? 517 DGD C C6B 1 +HETATM 52991 C C6B B DGD CD 35 . ? 44.050 -46.613 -52.900 0.60 69.28 ? 517 DGD C C6B 1 +HETATM 52992 C C7B A DGD CD 35 . ? 43.648 -46.388 -51.509 0.40 72.62 ? 517 DGD C C7B 1 +HETATM 52993 C C7B B DGD CD 35 . ? 43.603 -46.293 -51.481 0.60 72.68 ? 517 DGD C C7B 1 +HETATM 52994 C C8B A DGD CD 35 . ? 42.522 -47.262 -50.985 0.40 66.15 ? 517 DGD C C8B 1 +HETATM 52995 C C8B B DGD CD 35 . ? 42.667 -47.372 -50.966 0.60 66.42 ? 517 DGD C C8B 1 +HETATM 52996 C C9B A DGD CD 35 . ? 42.509 -47.277 -49.462 0.40 69.04 ? 517 DGD C C9B 1 +HETATM 52997 C C9B B DGD CD 35 . ? 42.575 -47.321 -49.447 0.60 69.10 ? 517 DGD C C9B 1 +HETATM 52998 C CAB A DGD CD 35 . ? 41.437 -48.246 -48.980 0.40 68.86 ? 517 DGD C CAB 1 +HETATM 52999 C CAB B DGD CD 35 . ? 41.499 -48.285 -48.966 0.60 68.99 ? 517 DGD C CAB 1 +HETATM 53000 C CBB A DGD CD 35 . ? 41.278 -48.157 -47.473 0.40 60.46 ? 517 DGD C CBB 1 +HETATM 53001 C CBB B DGD CD 35 . ? 41.395 -48.223 -47.454 0.60 60.59 ? 517 DGD C CBB 1 +HETATM 53002 C CCB A DGD CD 35 . ? 40.105 -48.981 -46.954 0.40 56.02 ? 517 DGD C CCB 1 +HETATM 53003 C CCB B DGD CD 35 . ? 40.222 -49.042 -46.930 0.60 56.12 ? 517 DGD C CCB 1 +HETATM 53004 C CDB A DGD CD 35 . ? 40.191 -48.903 -45.440 0.40 57.39 ? 517 DGD C CDB 1 +HETATM 53005 C CDB B DGD CD 35 . ? 40.280 -48.955 -45.418 0.60 57.42 ? 517 DGD C CDB 1 +HETATM 53006 C CEB A DGD CD 35 . ? 39.125 -49.709 -44.715 0.40 55.33 ? 517 DGD C CEB 1 +HETATM 53007 C CEB B DGD CD 35 . ? 39.117 -49.647 -44.727 0.60 55.38 ? 517 DGD C CEB 1 +HETATM 53008 C CFB A DGD CD 35 . ? 39.328 -49.480 -43.220 0.40 53.94 ? 517 DGD C CFB 1 +HETATM 53009 C CFB B DGD CD 35 . ? 39.329 -49.496 -43.227 0.60 53.94 ? 517 DGD C CFB 1 +HETATM 53010 C CGB A DGD CD 35 . ? 38.510 -50.465 -42.390 0.40 62.07 ? 517 DGD C CGB 1 +HETATM 53011 C CGB B DGD CD 35 . ? 38.507 -50.519 -42.452 0.60 62.22 ? 517 DGD C CGB 1 +HETATM 53012 O O1B A DGD CD 35 . ? 47.847 -44.138 -56.690 0.40 56.39 ? 517 DGD C O1B 1 +HETATM 53013 O O1B B DGD CD 35 . ? 47.858 -44.129 -56.742 0.60 56.49 ? 517 DGD C O1B 1 +HETATM 53014 O O1G A DGD CD 35 . ? 44.046 -43.136 -55.867 0.40 65.44 ? 517 DGD C O1G 1 +HETATM 53015 O O1G B DGD CD 35 . ? 44.060 -43.232 -55.877 0.60 65.71 ? 517 DGD C O1G 1 +HETATM 53016 C C1G A DGD CD 35 . ? 44.162 -42.913 -57.254 0.40 57.02 ? 517 DGD C C1G 1 +HETATM 53017 C C1G B DGD CD 35 . ? 44.162 -42.978 -57.262 0.60 57.02 ? 517 DGD C C1G 1 +HETATM 53018 C C2G A DGD CD 35 . ? 45.537 -43.443 -57.607 0.40 51.25 ? 517 DGD C C2G 1 +HETATM 53019 C C2G B DGD CD 35 . ? 45.541 -43.467 -57.645 0.60 51.04 ? 517 DGD C C2G 1 +HETATM 53020 O O2G A DGD CD 35 . ? 45.658 -44.760 -57.083 0.40 58.34 ? 517 DGD C O2G 1 +HETATM 53021 O O2G B DGD CD 35 . ? 45.691 -44.802 -57.179 0.60 58.50 ? 517 DGD C O2G 1 +HETATM 53022 C C3G A DGD CD 35 . ? 45.654 -43.368 -59.113 0.40 48.98 ? 517 DGD C C3G 1 +HETATM 53023 C C3G B DGD CD 35 . ? 45.632 -43.383 -59.151 0.60 48.90 ? 517 DGD C C3G 1 +HETATM 53024 O O3G A DGD CD 35 . ? 45.640 -41.969 -59.395 0.40 50.33 ? 517 DGD C O3G 1 +HETATM 53025 O O3G B DGD CD 35 . ? 45.716 -41.992 -59.441 0.60 50.29 ? 517 DGD C O3G 1 +HETATM 53026 C C1D A DGD CD 35 . ? 45.083 -41.643 -60.645 0.40 51.71 ? 517 DGD C C1D 1 +HETATM 53027 C C1D B DGD CD 35 . ? 45.086 -41.655 -60.651 0.60 51.74 ? 517 DGD C C1D 1 +HETATM 53028 C C2D A DGD CD 35 . ? 44.870 -40.127 -60.707 0.40 52.34 ? 517 DGD C C2D 1 +HETATM 53029 C C2D B DGD CD 35 . ? 44.857 -40.142 -60.661 0.60 52.36 ? 517 DGD C C2D 1 +HETATM 53030 O O2D A DGD CD 35 . ? 43.756 -39.777 -59.895 0.40 51.90 ? 517 DGD C O2D 1 +HETATM 53031 O O2D B DGD CD 35 . ? 43.731 -39.830 -59.847 0.60 51.97 ? 517 DGD C O2D 1 +HETATM 53032 C C3D A DGD CD 35 . ? 44.563 -39.684 -62.129 0.40 53.44 ? 517 DGD C C3D 1 +HETATM 53033 C C3D B DGD CD 35 . ? 44.579 -39.630 -62.066 0.60 53.44 ? 517 DGD C C3D 1 +HETATM 53034 O O3D A DGD CD 35 . ? 44.468 -38.264 -62.215 0.40 50.78 ? 517 DGD C O3D 1 +HETATM 53035 O O3D B DGD CD 35 . ? 44.502 -38.203 -62.062 0.60 50.84 ? 517 DGD C O3D 1 +HETATM 53036 C C4D A DGD CD 35 . ? 45.669 -40.144 -63.052 0.40 52.15 ? 517 DGD C C4D 1 +HETATM 53037 C C4D B DGD CD 35 . ? 45.672 -40.094 -63.016 0.60 52.17 ? 517 DGD C C4D 1 +HETATM 53038 O O4D A DGD CD 35 . ? 46.881 -39.509 -62.627 0.40 49.54 ? 517 DGD C O4D 1 +HETATM 53039 O O4D B DGD CD 35 . ? 46.920 -39.509 -62.638 0.60 49.55 ? 517 DGD C O4D 1 +HETATM 53040 C C5D A DGD CD 35 . ? 45.783 -41.663 -62.936 0.40 47.71 ? 517 DGD C C5D 1 +HETATM 53041 C C5D B DGD CD 35 . ? 45.783 -41.617 -62.950 0.60 47.67 ? 517 DGD C C5D 1 +HETATM 53042 O O5D A DGD CD 35 . ? 46.244 -42.227 -65.145 0.40 54.56 ? 517 DGD C O5D 1 +HETATM 53043 O O5D B DGD CD 35 . ? 46.324 -42.324 -65.110 0.60 55.07 ? 517 DGD C O5D 1 +HETATM 53044 C C6D A DGD CD 35 . ? 46.866 -42.178 -63.862 0.40 49.69 ? 517 DGD C C6D 1 +HETATM 53045 C C6D B DGD CD 35 . ? 46.907 -42.127 -63.831 0.60 49.67 ? 517 DGD C C6D 1 +HETATM 53046 O O6D A DGD CD 35 . ? 46.055 -42.063 -61.602 0.40 50.76 ? 517 DGD C O6D 1 +HETATM 53047 O O6D B DGD CD 35 . ? 46.035 -42.057 -61.628 0.60 50.77 ? 517 DGD C O6D 1 +HETATM 53048 C C1E A DGD CD 35 . ? 46.987 -41.589 -66.171 0.40 53.29 ? 517 DGD C C1E 1 +HETATM 53049 C C1E B DGD CD 35 . ? 47.037 -41.689 -66.166 0.60 53.62 ? 517 DGD C C1E 1 +HETATM 53050 C C2E A DGD CD 35 . ? 45.975 -41.018 -67.152 0.40 52.34 ? 517 DGD C C2E 1 +HETATM 53051 C C2E B DGD CD 35 . ? 46.012 -41.083 -67.114 0.60 52.37 ? 517 DGD C C2E 1 +HETATM 53052 O O2E A DGD CD 35 . ? 45.191 -40.048 -66.451 0.40 50.46 ? 517 DGD C O2E 1 +HETATM 53053 O O2E B DGD CD 35 . ? 45.204 -40.159 -66.389 0.60 50.29 ? 517 DGD C O2E 1 +HETATM 53054 C C3E A DGD CD 35 . ? 45.110 -42.154 -67.694 0.40 48.73 ? 517 DGD C C3E 1 +HETATM 53055 C C3E B DGD CD 35 . ? 45.137 -42.185 -67.705 0.60 48.60 ? 517 DGD C C3E 1 +HETATM 53056 O O3E A DGD CD 35 . ? 44.130 -41.692 -68.645 0.40 50.70 ? 517 DGD C O3E 1 +HETATM 53057 O O3E B DGD CD 35 . ? 44.202 -41.621 -68.638 0.60 50.81 ? 517 DGD C O3E 1 +HETATM 53058 C C4E A DGD CD 35 . ? 46.028 -43.171 -68.360 0.40 50.01 ? 517 DGD C C4E 1 +HETATM 53059 C C4E B DGD CD 35 . ? 46.040 -43.170 -68.415 0.60 50.03 ? 517 DGD C C4E 1 +HETATM 53060 O O4E A DGD CD 35 . ? 46.589 -42.577 -69.536 0.40 50.92 ? 517 DGD C O4E 1 +HETATM 53061 O O4E B DGD CD 35 . ? 46.656 -42.502 -69.524 0.60 50.90 ? 517 DGD C O4E 1 +HETATM 53062 C C5E A DGD CD 35 . ? 47.189 -43.634 -67.473 0.40 53.29 ? 517 DGD C C5E 1 +HETATM 53063 C C5E B DGD CD 35 . ? 47.143 -43.702 -67.501 0.60 53.43 ? 517 DGD C C5E 1 +HETATM 53064 O O6E A DGD CD 35 . ? 47.847 -42.553 -66.796 0.40 52.80 ? 517 DGD C O6E 1 +HETATM 53065 O O6E B DGD CD 35 . ? 47.855 -42.662 -66.840 0.60 52.50 ? 517 DGD C O6E 1 +HETATM 53066 C C6E A DGD CD 35 . ? 48.232 -44.394 -68.297 0.40 53.64 ? 517 DGD C C6E 1 +HETATM 53067 C C6E B DGD CD 35 . ? 48.159 -44.528 -68.279 0.60 53.76 ? 517 DGD C C6E 1 +HETATM 53068 O O5E A DGD CD 35 . ? 47.577 -45.463 -68.994 0.40 52.09 ? 517 DGD C O5E 1 +HETATM 53069 O O5E B DGD CD 35 . ? 47.459 -45.487 -69.073 0.60 52.14 ? 517 DGD C O5E 1 +HETATM 53070 C C1A A DGD DD 35 . ? 23.567 -65.735 -61.998 0.40 69.90 ? 518 DGD C C1A 1 +HETATM 53071 C C1A B DGD DD 35 . ? 23.525 -65.804 -61.963 0.60 70.02 ? 518 DGD C C1A 1 +HETATM 53072 C C2A A DGD DD 35 . ? 22.682 -66.818 -61.419 0.40 76.60 ? 518 DGD C C2A 1 +HETATM 53073 C C2A B DGD DD 35 . ? 22.616 -66.873 -61.390 0.60 76.65 ? 518 DGD C C2A 1 +HETATM 53074 C C3A A DGD DD 35 . ? 23.096 -67.196 -59.998 0.40 79.11 ? 518 DGD C C3A 1 +HETATM 53075 C C3A B DGD DD 35 . ? 23.061 -67.281 -59.989 0.60 79.15 ? 518 DGD C C3A 1 +HETATM 53076 C C4A A DGD DD 35 . ? 22.419 -66.310 -58.957 0.40 84.07 ? 518 DGD C C4A 1 +HETATM 53077 C C4A B DGD DD 35 . ? 22.372 -66.443 -58.920 0.60 84.17 ? 518 DGD C C4A 1 +HETATM 53078 C C5A A DGD DD 35 . ? 22.925 -66.657 -57.559 0.40 98.47 ? 518 DGD C C5A 1 +HETATM 53079 C C5A B DGD DD 35 . ? 22.961 -66.741 -57.545 0.60 98.68 ? 518 DGD C C5A 1 +HETATM 53080 C C6A A DGD DD 35 . ? 24.450 -66.582 -57.537 0.40 104.89 ? 518 DGD C C6A 1 +HETATM 53081 C C6A B DGD DD 35 . ? 24.475 -66.535 -57.551 0.60 105.01 ? 518 DGD C C6A 1 +HETATM 53082 C C7A A DGD DD 35 . ? 25.036 -66.906 -56.167 0.40 111.50 ? 518 DGD C C7A 1 +HETATM 53083 C C7A B DGD DD 35 . ? 25.102 -66.873 -56.201 0.60 111.59 ? 518 DGD C C7A 1 +HETATM 53084 C C8A A DGD DD 35 . ? 24.488 -65.981 -55.089 0.40 110.29 ? 518 DGD C C8A 1 +HETATM 53085 C C8A B DGD DD 35 . ? 24.512 -66.017 -55.087 0.60 110.35 ? 518 DGD C C8A 1 +HETATM 53086 C C9A A DGD DD 35 . ? 25.026 -66.383 -53.719 0.40 114.95 ? 518 DGD C C9A 1 +HETATM 53087 C C9A B DGD DD 35 . ? 25.027 -66.469 -53.725 0.60 114.98 ? 518 DGD C C9A 1 +HETATM 53088 C CAA A DGD DD 35 . ? 23.985 -66.112 -52.638 0.40 118.52 ? 518 DGD C CAA 1 +HETATM 53089 C CAA B DGD DD 35 . ? 24.001 -66.161 -52.640 0.60 118.66 ? 518 DGD C CAA 1 +HETATM 53090 C CBA A DGD DD 35 . ? 22.610 -66.632 -53.052 0.40 118.61 ? 518 DGD C CBA 1 +HETATM 53091 C CBA B DGD DD 35 . ? 22.622 -66.683 -53.035 0.60 118.74 ? 518 DGD C CBA 1 +HETATM 53092 C CCA A DGD DD 35 . ? 21.660 -66.688 -51.857 0.40 114.23 ? 518 DGD C CCA 1 +HETATM 53093 C CCA B DGD DD 35 . ? 21.664 -66.674 -51.847 0.60 114.24 ? 518 DGD C CCA 1 +HETATM 53094 C CDA A DGD DD 35 . ? 20.395 -67.482 -52.179 0.40 116.27 ? 518 DGD C CDA 1 +HETATM 53095 C CDA B DGD DD 35 . ? 20.393 -67.458 -52.160 0.60 116.35 ? 518 DGD C CDA 1 +HETATM 53096 C CEA A DGD DD 35 . ? 19.575 -66.815 -53.279 0.40 113.20 ? 518 DGD C CEA 1 +HETATM 53097 C CEA B DGD DD 35 . ? 19.608 -66.804 -53.291 0.60 113.32 ? 518 DGD C CEA 1 +HETATM 53098 C CFA A DGD DD 35 . ? 19.229 -65.380 -52.898 0.40 98.98 ? 518 DGD C CFA 1 +HETATM 53099 C CFA B DGD DD 35 . ? 19.238 -65.372 -52.925 0.60 98.91 ? 518 DGD C CFA 1 +HETATM 53100 C CGA A DGD DD 35 . ? 19.825 -64.420 -53.921 0.40 102.03 ? 518 DGD C CGA 1 +HETATM 53101 C CGA B DGD DD 35 . ? 19.863 -64.399 -53.917 0.60 102.11 ? 518 DGD C CGA 1 +HETATM 53102 O O1A A DGD DD 35 . ? 24.463 -65.180 -61.378 0.40 63.39 ? 518 DGD C O1A 1 +HETATM 53103 O O1A B DGD DD 35 . ? 24.446 -65.310 -61.333 0.60 63.72 ? 518 DGD C O1A 1 +HETATM 53104 C C1B A DGD DD 35 . ? 27.433 -65.563 -63.634 0.40 66.76 ? 518 DGD C C1B 1 +HETATM 53105 C C1B B DGD DD 35 . ? 27.454 -65.548 -63.664 0.60 66.85 ? 518 DGD C C1B 1 +HETATM 53106 C C2B A DGD DD 35 . ? 28.339 -66.424 -62.785 0.40 64.74 ? 518 DGD C C2B 1 +HETATM 53107 C C2B B DGD DD 35 . ? 28.421 -66.369 -62.849 0.60 64.74 ? 518 DGD C C2B 1 +HETATM 53108 C C3B A DGD DD 35 . ? 28.794 -65.562 -61.621 0.40 63.13 ? 518 DGD C C3B 1 +HETATM 53109 C C3B B DGD DD 35 . ? 28.876 -65.505 -61.679 0.60 63.01 ? 518 DGD C C3B 1 +HETATM 53110 C C4B A DGD DD 35 . ? 29.767 -66.325 -60.745 0.40 82.07 ? 518 DGD C C4B 1 +HETATM 53111 C C4B B DGD DD 35 . ? 29.783 -66.317 -60.772 0.60 82.30 ? 518 DGD C C4B 1 +HETATM 53112 C C5B A DGD DD 35 . ? 30.381 -65.418 -59.697 0.40 76.20 ? 518 DGD C C5B 1 +HETATM 53113 C C5B B DGD DD 35 . ? 30.372 -65.442 -59.682 0.60 76.27 ? 518 DGD C C5B 1 +HETATM 53114 C C6B A DGD DD 35 . ? 31.113 -64.263 -60.350 0.40 71.66 ? 518 DGD C C6B 1 +HETATM 53115 C C6B B DGD DD 35 . ? 31.151 -64.295 -60.296 0.60 71.72 ? 518 DGD C C6B 1 +HETATM 53116 C C7B A DGD DD 35 . ? 31.619 -63.320 -59.263 0.40 72.40 ? 518 DGD C C7B 1 +HETATM 53117 C C7B B DGD DD 35 . ? 31.644 -63.379 -59.184 0.60 72.42 ? 518 DGD C C7B 1 +HETATM 53118 C C8B A DGD DD 35 . ? 31.489 -61.867 -59.698 0.40 71.75 ? 518 DGD C C8B 1 +HETATM 53119 C C8B B DGD DD 35 . ? 31.511 -61.921 -59.586 0.60 71.79 ? 518 DGD C C8B 1 +HETATM 53120 C C9B A DGD DD 35 . ? 32.162 -60.993 -58.657 0.40 76.23 ? 518 DGD C C9B 1 +HETATM 53121 C C9B B DGD DD 35 . ? 32.147 -61.066 -58.506 0.60 77.00 ? 518 DGD C C9B 1 +HETATM 53122 C CAB A DGD DD 35 . ? 31.652 -59.557 -58.670 0.40 68.57 ? 518 DGD C CAB 1 +HETATM 53123 C CAB B DGD DD 35 . ? 31.703 -59.617 -58.605 0.60 68.71 ? 518 DGD C CAB 1 +HETATM 53124 C CBB A DGD DD 35 . ? 31.636 -59.062 -57.222 0.40 64.54 ? 518 DGD C CBB 1 +HETATM 53125 C CBB B DGD DD 35 . ? 31.657 -59.037 -57.196 0.60 64.49 ? 518 DGD C CBB 1 +HETATM 53126 C CCB A DGD DD 35 . ? 31.367 -57.575 -57.167 0.40 63.25 ? 518 DGD C CCB 1 +HETATM 53127 C CCB B DGD DD 35 . ? 31.266 -57.574 -57.225 0.60 63.34 ? 518 DGD C CCB 1 +HETATM 53128 C CDB A DGD DD 35 . ? 30.750 -57.197 -55.830 0.40 65.25 ? 518 DGD C CDB 1 +HETATM 53129 C CDB B DGD DD 35 . ? 30.679 -57.177 -55.881 0.60 65.38 ? 518 DGD C CDB 1 +HETATM 53130 C CEB A DGD DD 35 . ? 29.368 -57.814 -55.735 0.40 61.89 ? 518 DGD C CEB 1 +HETATM 53131 C CEB B DGD DD 35 . ? 29.334 -57.854 -55.681 0.60 61.87 ? 518 DGD C CEB 1 +HETATM 53132 C CFB A DGD DD 35 . ? 28.311 -56.723 -55.655 0.40 63.59 ? 518 DGD C CFB 1 +HETATM 53133 C CFB B DGD DD 35 . ? 28.235 -56.807 -55.576 0.60 63.76 ? 518 DGD C CFB 1 +HETATM 53134 C CGB A DGD DD 35 . ? 26.988 -57.387 -55.281 0.40 67.26 ? 518 DGD C CGB 1 +HETATM 53135 C CGB B DGD DD 35 . ? 26.917 -57.481 -55.209 0.60 67.40 ? 518 DGD C CGB 1 +HETATM 53136 O O1B A DGD DD 35 . ? 27.866 -64.595 -64.239 0.40 62.12 ? 518 DGD C O1B 1 +HETATM 53137 O O1B B DGD DD 35 . ? 27.828 -64.578 -64.288 0.60 62.20 ? 518 DGD C O1B 1 +HETATM 53138 O O1G A DGD DD 35 . ? 23.371 -65.323 -63.361 0.40 66.33 ? 518 DGD C O1G 1 +HETATM 53139 O O1G B DGD DD 35 . ? 23.325 -65.339 -63.316 0.60 66.30 ? 518 DGD C O1G 1 +HETATM 53140 C C1G A DGD DD 35 . ? 24.237 -64.324 -63.886 0.40 62.49 ? 518 DGD C C1G 1 +HETATM 53141 C C1G B DGD DD 35 . ? 24.221 -64.360 -63.829 0.60 62.53 ? 518 DGD C C1G 1 +HETATM 53142 C C2G A DGD DD 35 . ? 25.333 -65.056 -64.642 0.40 59.95 ? 518 DGD C C2G 1 +HETATM 53143 C C2G B DGD DD 35 . ? 25.321 -65.077 -64.604 0.60 59.87 ? 518 DGD C C2G 1 +HETATM 53144 O O2G A DGD DD 35 . ? 26.019 -65.864 -63.697 0.40 68.50 ? 518 DGD C O2G 1 +HETATM 53145 O O2G B DGD DD 35 . ? 26.046 -65.882 -63.684 0.60 68.63 ? 518 DGD C O2G 1 +HETATM 53146 C C3G A DGD DD 35 . ? 24.740 -65.959 -65.729 0.40 59.23 ? 518 DGD C C3G 1 +HETATM 53147 C C3G B DGD DD 35 . ? 24.720 -65.964 -65.696 0.60 59.07 ? 518 DGD C C3G 1 +HETATM 53148 O O3G A DGD DD 35 . ? 23.662 -65.321 -66.424 0.40 61.70 ? 518 DGD C O3G 1 +HETATM 53149 O O3G B DGD DD 35 . ? 23.651 -65.280 -66.353 0.60 61.81 ? 518 DGD C O3G 1 +HETATM 53150 C C1D A DGD DD 35 . ? 24.138 -64.557 -67.525 0.40 61.41 ? 518 DGD C C1D 1 +HETATM 53151 C C1D B DGD DD 35 . ? 24.142 -64.534 -67.464 0.60 61.45 ? 518 DGD C C1D 1 +HETATM 53152 C C2D A DGD DD 35 . ? 23.021 -64.345 -68.535 0.40 63.79 ? 518 DGD C C2D 1 +HETATM 53153 C C2D B DGD DD 35 . ? 23.036 -64.291 -68.481 0.60 63.79 ? 518 DGD C C2D 1 +HETATM 53154 O O2D A DGD DD 35 . ? 22.671 -65.610 -69.114 0.40 73.48 ? 518 DGD C O2D 1 +HETATM 53155 O O2D B DGD DD 35 . ? 22.606 -65.538 -69.033 0.60 73.65 ? 518 DGD C O2D 1 +HETATM 53156 C C3D A DGD DD 35 . ? 23.469 -63.375 -69.631 0.40 58.03 ? 518 DGD C C3D 1 +HETATM 53157 C C3D B DGD DD 35 . ? 23.537 -63.381 -69.598 0.60 58.00 ? 518 DGD C C3D 1 +HETATM 53158 O O3D A DGD DD 35 . ? 22.343 -63.076 -70.472 0.40 58.72 ? 518 DGD C O3D 1 +HETATM 53159 O O3D B DGD DD 35 . ? 22.443 -63.050 -70.462 0.60 58.78 ? 518 DGD C O3D 1 +HETATM 53160 C C4D A DGD DD 35 . ? 24.075 -62.091 -69.041 0.40 61.51 ? 518 DGD C C4D 1 +HETATM 53161 C C4D B DGD DD 35 . ? 24.137 -62.098 -69.020 0.60 61.57 ? 518 DGD C C4D 1 +HETATM 53162 O O4D A DGD DD 35 . ? 23.046 -61.274 -68.447 0.40 52.83 ? 518 DGD C O4D 1 +HETATM 53163 O O4D B DGD DD 35 . ? 23.082 -61.315 -68.443 0.60 52.85 ? 518 DGD C O4D 1 +HETATM 53164 C C5D A DGD DD 35 . ? 25.119 -62.456 -67.984 0.40 55.12 ? 518 DGD C C5D 1 +HETATM 53165 C C5D B DGD DD 35 . ? 25.176 -62.450 -67.956 0.60 55.05 ? 518 DGD C C5D 1 +HETATM 53166 O O5D A DGD DD 35 . ? 26.220 -60.370 -68.276 0.40 54.08 ? 518 DGD C O5D 1 +HETATM 53167 O O5D B DGD DD 35 . ? 26.244 -60.380 -68.326 0.60 54.19 ? 518 DGD C O5D 1 +HETATM 53168 C C6D A DGD DD 35 . ? 25.767 -61.263 -67.270 0.40 49.68 ? 518 DGD C C6D 1 +HETATM 53169 C C6D B DGD DD 35 . ? 25.833 -61.246 -67.284 0.60 49.50 ? 518 DGD C C6D 1 +HETATM 53170 O O6D A DGD DD 35 . ? 24.507 -63.280 -67.011 0.40 58.06 ? 518 DGD C O6D 1 +HETATM 53171 O O6D B DGD DD 35 . ? 24.576 -63.268 -66.965 0.60 58.05 ? 518 DGD C O6D 1 +HETATM 53172 C C1E A DGD DD 35 . ? 27.565 -60.587 -68.727 0.40 59.38 ? 518 DGD C C1E 1 +HETATM 53173 C C1E B DGD DD 35 . ? 27.585 -60.580 -68.780 0.60 59.61 ? 518 DGD C C1E 1 +HETATM 53174 C C2E A DGD DD 35 . ? 28.355 -59.262 -68.762 0.40 55.84 ? 518 DGD C C2E 1 +HETATM 53175 C C2E B DGD DD 35 . ? 28.372 -59.263 -68.786 0.60 55.96 ? 518 DGD C C2E 1 +HETATM 53176 O O2E A DGD DD 35 . ? 28.380 -58.664 -67.461 0.40 49.49 ? 518 DGD C O2E 1 +HETATM 53177 O O2E B DGD DD 35 . ? 28.408 -58.728 -67.463 0.60 49.42 ? 518 DGD C O2E 1 +HETATM 53178 C C3E A DGD DD 35 . ? 27.768 -58.298 -69.793 0.40 54.58 ? 518 DGD C C3E 1 +HETATM 53179 C C3E B DGD DD 35 . ? 27.790 -58.258 -69.784 0.60 54.54 ? 518 DGD C C3E 1 +HETATM 53180 O O3E A DGD DD 35 . ? 28.638 -57.176 -70.010 0.40 52.66 ? 518 DGD C O3E 1 +HETATM 53181 O O3E B DGD DD 35 . ? 28.726 -57.202 -70.003 0.60 52.82 ? 518 DGD C O3E 1 +HETATM 53182 C C4E A DGD DD 35 . ? 27.552 -58.995 -71.139 0.40 58.99 ? 518 DGD C C4E 1 +HETATM 53183 C C4E B DGD DD 35 . ? 27.562 -58.911 -71.141 0.60 59.14 ? 518 DGD C C4E 1 +HETATM 53184 O O4E A DGD DD 35 . ? 28.828 -59.228 -71.752 0.40 50.54 ? 518 DGD C O4E 1 +HETATM 53185 O O4E B DGD DD 35 . ? 28.849 -59.136 -71.733 0.60 50.46 ? 518 DGD C O4E 1 +HETATM 53186 C C5E A DGD DD 35 . ? 26.830 -60.326 -70.986 0.40 57.41 ? 518 DGD C C5E 1 +HETATM 53187 C C5E B DGD DD 35 . ? 26.819 -60.236 -71.002 0.60 57.47 ? 518 DGD C C5E 1 +HETATM 53188 O O6E A DGD DD 35 . ? 27.520 -61.164 -70.050 0.40 54.99 ? 518 DGD C O6E 1 +HETATM 53189 O O6E B DGD DD 35 . ? 27.519 -61.103 -70.111 0.60 54.84 ? 518 DGD C O6E 1 +HETATM 53190 C C6E A DGD DD 35 . ? 26.616 -61.017 -72.336 0.40 54.95 ? 518 DGD C C6E 1 +HETATM 53191 C C6E B DGD DD 35 . ? 26.581 -60.930 -72.342 0.60 54.89 ? 518 DGD C C6E 1 +HETATM 53192 O O5E A DGD DD 35 . ? 27.862 -61.474 -72.877 0.40 59.09 ? 518 DGD C O5E 1 +HETATM 53193 O O5E B DGD DD 35 . ? 27.815 -61.458 -72.834 0.60 59.19 ? 518 DGD C O5E 1 +HETATM 53194 C C1A . DGD ED 35 . ? 16.425 -61.738 -59.072 1.00 65.98 ? 519 DGD C C1A 1 +HETATM 53195 C C2A . DGD ED 35 . ? 16.240 -61.080 -57.729 1.00 66.23 ? 519 DGD C C2A 1 +HETATM 53196 C C3A . DGD ED 35 . ? 17.268 -61.664 -56.771 1.00 73.95 ? 519 DGD C C3A 1 +HETATM 53197 C C4A . DGD ED 35 . ? 16.899 -61.204 -55.374 1.00 71.62 ? 519 DGD C C4A 1 +HETATM 53198 C C5A . DGD ED 35 . ? 18.072 -61.260 -54.407 1.00 62.48 ? 519 DGD C C5A 1 +HETATM 53199 C C6A . DGD ED 35 . ? 17.597 -60.647 -53.091 1.00 73.05 ? 519 DGD C C6A 1 +HETATM 53200 C C7A . DGD ED 35 . ? 18.779 -60.166 -52.262 1.00 71.18 ? 519 DGD C C7A 1 +HETATM 53201 C C8A . DGD ED 35 . ? 18.401 -59.957 -50.803 1.00 66.13 ? 519 DGD C C8A 1 +HETATM 53202 C C9A . DGD ED 35 . ? 19.634 -60.236 -49.953 1.00 72.60 ? 519 DGD C C9A 1 +HETATM 53203 C CAA . DGD ED 35 . ? 19.601 -59.433 -48.655 1.00 86.86 ? 519 DGD C CAA 1 +HETATM 53204 C CBA . DGD ED 35 . ? 18.246 -59.504 -47.953 1.00 67.07 ? 519 DGD C CBA 1 +HETATM 53205 C CCA . DGD ED 35 . ? 18.420 -59.240 -46.461 1.00 74.55 ? 519 DGD C CCA 1 +HETATM 53206 C CDA . DGD ED 35 . ? 17.541 -60.173 -45.626 1.00 75.02 ? 519 DGD C CDA 1 +HETATM 53207 C CEA . DGD ED 35 . ? 18.219 -60.494 -44.296 1.00 73.67 ? 519 DGD C CEA 1 +HETATM 53208 C CFA . DGD ED 35 . ? 17.235 -61.077 -43.292 1.00 74.67 ? 519 DGD C CFA 1 +HETATM 53209 C CGA . DGD ED 35 . ? 17.964 -62.019 -42.345 1.00 83.51 ? 519 DGD C CGA 1 +HETATM 53210 O O1A . DGD ED 35 . ? 15.766 -62.719 -59.374 1.00 73.49 ? 519 DGD C O1A 1 +HETATM 53211 C C1B . DGD ED 35 . ? 20.923 -61.603 -61.489 1.00 63.83 ? 519 DGD C C1B 1 +HETATM 53212 C C2B . DGD ED 35 . ? 21.951 -62.642 -61.097 1.00 56.03 ? 519 DGD C C2B 1 +HETATM 53213 C C3B . DGD ED 35 . ? 23.303 -62.054 -60.742 1.00 67.52 ? 519 DGD C C3B 1 +HETATM 53214 C C4B . DGD ED 35 . ? 23.301 -61.331 -59.399 1.00 68.26 ? 519 DGD C C4B 1 +HETATM 53215 C C5B . DGD ED 35 . ? 22.419 -62.029 -58.381 1.00 61.48 ? 519 DGD C C5B 1 +HETATM 53216 C C6B . DGD ED 35 . ? 22.897 -61.720 -56.978 1.00 60.95 ? 519 DGD C C6B 1 +HETATM 53217 C C7B . DGD ED 35 . ? 21.837 -62.160 -55.978 1.00 86.41 ? 519 DGD C C7B 1 +HETATM 53218 C C8B . DGD ED 35 . ? 22.090 -61.647 -54.555 1.00 89.26 ? 519 DGD C C8B 1 +HETATM 53219 C C9B . DGD ED 35 . ? 23.521 -61.159 -54.331 1.00 92.84 ? 519 DGD C C9B 1 +HETATM 53220 C CAB . DGD ED 35 . ? 23.842 -61.130 -52.838 1.00 72.29 ? 519 DGD C CAB 1 +HETATM 53221 C CBB . DGD ED 35 . ? 23.474 -62.477 -52.231 1.00 99.45 ? 519 DGD C CBB 1 +HETATM 53222 C CCB . DGD ED 35 . ? 23.870 -62.556 -50.761 1.00 113.29 ? 519 DGD C CCB 1 +HETATM 53223 C CDB . DGD ED 35 . ? 25.313 -62.097 -50.583 1.00 103.19 ? 519 DGD C CDB 1 +HETATM 53224 C CEB . DGD ED 35 . ? 25.892 -62.609 -49.269 1.00 105.63 ? 519 DGD C CEB 1 +HETATM 53225 C CFB . DGD ED 35 . ? 26.242 -64.089 -49.370 1.00 122.17 ? 519 DGD C CFB 1 +HETATM 53226 C CGB . DGD ED 35 . ? 27.651 -64.349 -48.848 1.00 112.40 ? 519 DGD C CGB 1 +HETATM 53227 O O1B . DGD ED 35 . ? 21.196 -60.439 -61.730 1.00 54.21 ? 519 DGD C O1B 1 +HETATM 53228 O O1G . DGD ED 35 . ? 17.419 -61.246 -59.996 1.00 55.35 ? 519 DGD C O1G 1 +HETATM 53229 C C1G . DGD ED 35 . ? 17.319 -61.525 -61.377 1.00 49.92 ? 519 DGD C C1G 1 +HETATM 53230 C C2G . DGD ED 35 . ? 18.632 -61.087 -61.988 1.00 54.16 ? 519 DGD C C2G 1 +HETATM 53231 O O2G . DGD ED 35 . ? 19.554 -62.050 -61.573 1.00 56.74 ? 519 DGD C O2G 1 +HETATM 53232 C C3G . DGD ED 35 . ? 18.502 -61.084 -63.499 1.00 50.83 ? 519 DGD C C3G 1 +HETATM 53233 O O3G . DGD ED 35 . ? 17.434 -60.183 -63.791 1.00 48.85 ? 519 DGD C O3G 1 +HETATM 53234 C C1D . DGD ED 35 . ? 17.101 -60.136 -65.163 1.00 51.91 ? 519 DGD C C1D 1 +HETATM 53235 C C2D . DGD ED 35 . ? 15.712 -59.509 -65.238 1.00 45.14 ? 519 DGD C C2D 1 +HETATM 53236 O O2D . DGD ED 35 . ? 14.751 -60.410 -64.669 1.00 48.11 ? 519 DGD C O2D 1 +HETATM 53237 C C3D . DGD ED 35 . ? 15.354 -59.179 -66.680 1.00 57.62 ? 519 DGD C C3D 1 +HETATM 53238 O O3D . DGD ED 35 . ? 14.023 -58.637 -66.732 1.00 47.58 ? 519 DGD C O3D 1 +HETATM 53239 C C4D . DGD ED 35 . ? 16.430 -58.249 -67.248 1.00 56.46 ? 519 DGD C C4D 1 +HETATM 53240 O O4D . DGD ED 35 . ? 16.436 -57.024 -66.479 1.00 53.51 ? 519 DGD C O4D 1 +HETATM 53241 C C5D . DGD ED 35 . ? 17.798 -58.941 -67.145 1.00 51.02 ? 519 DGD C C5D 1 +HETATM 53242 O O5D . DGD ED 35 . ? 18.618 -57.580 -68.935 1.00 56.59 ? 519 DGD C O5D 1 +HETATM 53243 C C6D . DGD ED 35 . ? 18.969 -58.103 -67.656 1.00 49.12 ? 519 DGD C C6D 1 +HETATM 53244 O O6D . DGD ED 35 . ? 18.088 -59.322 -65.792 1.00 52.15 ? 519 DGD C O6D 1 +HETATM 53245 C C1E . DGD ED 35 . ? 19.715 -57.278 -69.785 1.00 57.47 ? 519 DGD C C1E 1 +HETATM 53246 C C2E . DGD ED 35 . ? 19.182 -56.445 -70.955 1.00 50.88 ? 519 DGD C C2E 1 +HETATM 53247 O O2E . DGD ED 35 . ? 18.562 -55.264 -70.456 1.00 49.21 ? 519 DGD C O2E 1 +HETATM 53248 C C3E . DGD ED 35 . ? 18.129 -57.234 -71.736 1.00 55.44 ? 519 DGD C C3E 1 +HETATM 53249 O O3E . DGD ED 35 . ? 17.771 -56.546 -72.938 1.00 57.77 ? 519 DGD C O3E 1 +HETATM 53250 C C4E . DGD ED 35 . ? 18.689 -58.585 -72.129 1.00 50.22 ? 519 DGD C C4E 1 +HETATM 53251 O O4E . DGD ED 35 . ? 19.759 -58.370 -73.047 1.00 53.04 ? 519 DGD C O4E 1 +HETATM 53252 C C5E . DGD ED 35 . ? 19.260 -59.329 -70.934 1.00 55.87 ? 519 DGD C C5E 1 +HETATM 53253 O O6E . DGD ED 35 . ? 20.234 -58.528 -70.243 1.00 56.26 ? 519 DGD C O6E 1 +HETATM 53254 C C6E . DGD ED 35 . ? 19.884 -60.657 -71.348 1.00 56.49 ? 519 DGD C C6E 1 +HETATM 53255 O O5E . DGD ED 35 . ? 20.424 -61.244 -70.154 1.00 64.48 ? 519 DGD C O5E 1 +HETATM 53256 C C1 . LMG FD 33 . ? 26.097 -66.783 -70.816 1.00 68.07 ? 520 LMG C C1 1 +HETATM 53257 O O1 . LMG FD 33 . ? 26.428 -67.888 -69.997 1.00 67.46 ? 520 LMG C O1 1 +HETATM 53258 C C2 . LMG FD 33 . ? 27.213 -65.775 -70.554 1.00 62.05 ? 520 LMG C C2 1 +HETATM 53259 O O2 . LMG FD 33 . ? 27.140 -65.380 -69.186 1.00 65.71 ? 520 LMG C O2 1 +HETATM 53260 C C3 . LMG FD 33 . ? 27.097 -64.571 -71.477 1.00 60.58 ? 520 LMG C C3 1 +HETATM 53261 O O3 . LMG FD 33 . ? 28.233 -63.710 -71.305 1.00 55.89 ? 520 LMG C O3 1 +HETATM 53262 C C4 . LMG FD 33 . ? 27.032 -65.079 -72.921 1.00 60.77 ? 520 LMG C C4 1 +HETATM 53263 O O4 . LMG FD 33 . ? 28.253 -65.743 -73.287 1.00 58.14 ? 520 LMG C O4 1 +HETATM 53264 C C5 . LMG FD 33 . ? 25.898 -66.086 -73.101 1.00 61.77 ? 520 LMG C C5 1 +HETATM 53265 O O5 . LMG FD 33 . ? 24.676 -67.473 -74.589 1.00 86.76 ? 520 LMG C O5 1 +HETATM 53266 C C6 . LMG FD 33 . ? 25.808 -66.596 -74.535 1.00 56.98 ? 520 LMG C C6 1 +HETATM 53267 O O6 . LMG FD 33 . ? 26.023 -67.189 -72.196 1.00 60.94 ? 520 LMG C O6 1 +HETATM 53268 C C7 . LMG FD 33 . ? 25.288 -68.659 -69.631 1.00 62.98 ? 520 LMG C C7 1 +HETATM 53269 C C8 . LMG FD 33 . ? 25.767 -69.695 -68.639 1.00 60.71 ? 520 LMG C C8 1 +HETATM 53270 C C9 . LMG FD 33 . ? 25.779 -69.049 -67.269 1.00 60.83 ? 520 LMG C C9 1 +HETATM 53271 O O7 . LMG FD 33 . ? 24.805 -70.739 -68.619 1.00 99.75 ? 520 LMG C O7 1 +HETATM 53272 C C10 . LMG FD 33 . ? 25.328 -71.963 -69.191 1.00 82.59 ? 520 LMG C C10 1 +HETATM 53273 O O9 . LMG FD 33 . ? 26.262 -71.889 -69.968 1.00 90.76 ? 520 LMG C O9 1 +HETATM 53274 C C11 . LMG FD 33 . ? 24.709 -73.288 -68.830 1.00 77.17 ? 520 LMG C C11 1 +HETATM 53275 C C12 . LMG FD 33 . ? 24.871 -73.508 -67.339 1.00 85.61 ? 520 LMG C C12 1 +HETATM 53276 C C13 . LMG FD 33 . ? 23.985 -74.660 -66.891 1.00 94.06 ? 520 LMG C C13 1 +HETATM 53277 C C14 . LMG FD 33 . ? 23.604 -74.522 -65.423 1.00 98.97 ? 520 LMG C C14 1 +HETATM 53278 C C15 . LMG FD 33 . ? 24.829 -74.549 -64.517 1.00 90.31 ? 520 LMG C C15 1 +HETATM 53279 C C16 . LMG FD 33 . ? 24.400 -74.896 -63.098 1.00 86.38 ? 520 LMG C C16 1 +HETATM 53280 C C17 . LMG FD 33 . ? 25.610 -75.045 -62.189 1.00 97.82 ? 520 LMG C C17 1 +HETATM 53281 C C18 . LMG FD 33 . ? 25.200 -75.690 -60.874 1.00 97.90 ? 520 LMG C C18 1 +HETATM 53282 C C19 . LMG FD 33 . ? 25.192 -74.680 -59.733 1.00 103.34 ? 520 LMG C C19 1 +HETATM 53283 C C20 . LMG FD 33 . ? 25.885 -75.266 -58.507 1.00 101.00 ? 520 LMG C C20 1 +HETATM 53284 C C21 . LMG FD 33 . ? 26.003 -74.225 -57.402 1.00 123.52 ? 520 LMG C C21 1 +HETATM 53285 C C22 . LMG FD 33 . ? 26.741 -74.796 -56.194 1.00 124.35 ? 520 LMG C C22 1 +HETATM 53286 C C23 . LMG FD 33 . ? 26.677 -73.815 -55.035 1.00 109.44 ? 520 LMG C C23 1 +HETATM 53287 C C24 . LMG FD 33 . ? 25.229 -73.630 -54.587 1.00 134.03 ? 520 LMG C C24 1 +HETATM 53288 C C25 . LMG FD 33 . ? 25.150 -72.933 -53.242 1.00 128.55 ? 520 LMG C C25 1 +HETATM 53289 O O8 . LMG FD 33 . ? 26.301 -69.941 -66.300 1.00 69.09 ? 520 LMG C O8 1 +HETATM 53290 C C28 . LMG FD 33 . ? 25.712 -69.947 -64.970 1.00 87.65 ? 520 LMG C C28 1 +HETATM 53291 O O10 . LMG FD 33 . ? 24.616 -69.431 -64.847 1.00 97.11 ? 520 LMG C O10 1 +HETATM 53292 C C29 . LMG FD 33 . ? 26.407 -70.595 -63.784 1.00 89.73 ? 520 LMG C C29 1 +HETATM 53293 C C30 . LMG FD 33 . ? 26.098 -69.869 -62.472 1.00 74.68 ? 520 LMG C C30 1 +HETATM 53294 C C31 . LMG FD 33 . ? 26.727 -70.595 -61.294 1.00 76.47 ? 520 LMG C C31 1 +HETATM 53295 C C32 . LMG FD 33 . ? 27.225 -69.679 -60.180 1.00 65.75 ? 520 LMG C C32 1 +HETATM 53296 C C33 . LMG FD 33 . ? 27.161 -70.426 -58.852 1.00 84.97 ? 520 LMG C C33 1 +HETATM 53297 C C34 . LMG FD 33 . ? 28.267 -70.040 -57.874 1.00 95.22 ? 520 LMG C C34 1 +HETATM 53298 C C35 . LMG FD 33 . ? 28.223 -68.572 -57.441 1.00 99.00 ? 520 LMG C C35 1 +HETATM 53299 C C36 . LMG FD 33 . ? 29.201 -68.337 -56.290 1.00 91.62 ? 520 LMG C C36 1 +HETATM 53300 C C37 . LMG FD 33 . ? 29.930 -67.002 -56.399 1.00 85.59 ? 520 LMG C C37 1 +HETATM 53301 C C38 . LMG FD 33 . ? 31.196 -67.003 -55.543 1.00 80.51 ? 520 LMG C C38 1 +HETATM 53302 C C39 . LMG FD 33 . ? 32.363 -66.328 -56.269 1.00 84.22 ? 520 LMG C C39 1 +HETATM 53303 C C40 . LMG FD 33 . ? 33.202 -65.464 -55.319 1.00 100.04 ? 520 LMG C C40 1 +HETATM 53304 C C41 . LMG FD 33 . ? 34.234 -64.621 -56.071 1.00 84.45 ? 520 LMG C C41 1 +HETATM 53305 C C42 . LMG FD 33 . ? 34.857 -63.547 -55.177 1.00 116.47 ? 520 LMG C C42 1 +HETATM 53306 C C43 . LMG FD 33 . ? 33.960 -62.338 -54.986 1.00 98.90 ? 520 LMG C C43 1 +HETATM 53307 C C1 . LMG GD 33 . ? 48.543 -73.809 -84.982 1.00 145.72 ? 521 LMG C C1 1 +HETATM 53308 O O1 . LMG GD 33 . ? 49.698 -73.077 -84.529 1.00 156.92 ? 521 LMG C O1 1 +HETATM 53309 C C2 . LMG GD 33 . ? 47.506 -72.882 -85.611 1.00 152.82 ? 521 LMG C C2 1 +HETATM 53310 O O2 . LMG GD 33 . ? 47.359 -71.643 -84.893 1.00 117.04 ? 521 LMG C O2 1 +HETATM 53311 C C3 . LMG GD 33 . ? 46.192 -73.654 -85.635 1.00 139.35 ? 521 LMG C C3 1 +HETATM 53312 O O3 . LMG GD 33 . ? 45.141 -72.844 -86.186 1.00 120.94 ? 521 LMG C O3 1 +HETATM 53313 C C4 . LMG GD 33 . ? 46.338 -74.982 -86.396 1.00 164.48 ? 521 LMG C C4 1 +HETATM 53314 O O4 . LMG GD 33 . ? 45.897 -74.819 -87.758 1.00 169.84 ? 521 LMG C O4 1 +HETATM 53315 C C5 . LMG GD 33 . ? 47.741 -75.640 -86.372 1.00 162.66 ? 521 LMG C C5 1 +HETATM 53316 O O5 . LMG GD 33 . ? 47.415 -77.610 -87.773 1.00 126.84 ? 521 LMG C O5 1 +HETATM 53317 C C6 . LMG GD 33 . ? 48.056 -76.325 -87.708 1.00 161.28 ? 521 LMG C C6 1 +HETATM 53318 O O6 . LMG GD 33 . ? 48.853 -74.808 -85.961 1.00 155.46 ? 521 LMG C O6 1 +HETATM 53319 C C7 . LMG GD 33 . ? 50.590 -73.889 -83.748 1.00 155.16 ? 521 LMG C C7 1 +HETATM 53320 C C8 . LMG GD 33 . ? 50.950 -73.304 -82.371 1.00 157.15 ? 521 LMG C C8 1 +HETATM 53321 C C9 . LMG GD 33 . ? 51.524 -74.463 -81.556 1.00 130.69 ? 521 LMG C C9 1 +HETATM 53322 O O7 . LMG GD 33 . ? 51.920 -72.251 -82.489 1.00 179.74 ? 521 LMG C O7 1 +HETATM 53323 C C10 . LMG GD 33 . ? 51.770 -71.123 -81.561 1.00 168.65 ? 521 LMG C C10 1 +HETATM 53324 O O9 . LMG GD 33 . ? 51.010 -70.204 -81.842 1.00 160.15 ? 521 LMG C O9 1 +HETATM 53325 C C11 . LMG GD 33 . ? 52.605 -71.057 -80.296 1.00 148.94 ? 521 LMG C C11 1 +HETATM 53326 C C12 . LMG GD 33 . ? 52.102 -69.978 -79.338 1.00 107.54 ? 521 LMG C C12 1 +HETATM 53327 C C13 . LMG GD 33 . ? 51.001 -70.530 -78.440 1.00 97.08 ? 521 LMG C C13 1 +HETATM 53328 C C14 . LMG GD 33 . ? 50.840 -69.688 -77.179 1.00 80.65 ? 521 LMG C C14 1 +HETATM 53329 C C15 . LMG GD 33 . ? 51.787 -70.105 -76.058 1.00 79.99 ? 521 LMG C C15 1 +HETATM 53330 C C16 . LMG GD 33 . ? 50.972 -70.406 -74.804 1.00 74.88 ? 521 LMG C C16 1 +HETATM 53331 C C17 . LMG GD 33 . ? 51.832 -70.666 -73.573 1.00 83.39 ? 521 LMG C C17 1 +HETATM 53332 C C18 . LMG GD 33 . ? 50.945 -70.753 -72.335 1.00 86.46 ? 521 LMG C C18 1 +HETATM 53333 C C19 . LMG GD 33 . ? 51.747 -71.006 -71.062 1.00 84.20 ? 521 LMG C C19 1 +HETATM 53334 C C20 . LMG GD 33 . ? 51.345 -72.332 -70.418 1.00 78.05 ? 521 LMG C C20 1 +HETATM 53335 C C21 . LMG GD 33 . ? 50.664 -72.176 -69.064 1.00 69.64 ? 521 LMG C C21 1 +HETATM 53336 C C22 . LMG GD 33 . ? 51.391 -72.968 -67.979 1.00 63.44 ? 521 LMG C C22 1 +HETATM 53337 C C23 . LMG GD 33 . ? 50.456 -73.455 -66.876 1.00 64.04 ? 521 LMG C C23 1 +HETATM 53338 C C24 . LMG GD 33 . ? 51.293 -73.970 -65.701 1.00 77.58 ? 521 LMG C C24 1 +HETATM 53339 C C25 . LMG GD 33 . ? 50.498 -74.369 -64.466 1.00 69.01 ? 521 LMG C C25 1 +HETATM 53340 O O8 . LMG GD 33 . ? 51.654 -74.128 -80.170 1.00 151.43 ? 521 LMG C O8 1 +HETATM 53341 C C28 . LMG GD 33 . ? 51.785 -75.194 -79.181 1.00 125.88 ? 521 LMG C C28 1 +HETATM 53342 O O10 . LMG GD 33 . ? 51.568 -76.341 -79.527 1.00 136.16 ? 521 LMG C O10 1 +HETATM 53343 C C29 . LMG GD 33 . ? 52.176 -74.910 -77.749 1.00 129.75 ? 521 LMG C C29 1 +HETATM 53344 C C30 . LMG GD 33 . ? 52.107 -76.199 -76.929 1.00 95.90 ? 521 LMG C C30 1 +HETATM 53345 C C31 . LMG GD 33 . ? 52.671 -75.962 -75.531 1.00 125.97 ? 521 LMG C C31 1 +HETATM 53346 C C32 . LMG GD 33 . ? 52.599 -77.201 -74.645 1.00 114.18 ? 521 LMG C C32 1 +HETATM 53347 C C33 . LMG GD 33 . ? 53.215 -76.897 -73.280 1.00 116.96 ? 521 LMG C C33 1 +HETATM 53348 C C34 . LMG GD 33 . ? 53.197 -78.116 -72.357 1.00 111.57 ? 521 LMG C C34 1 +HETATM 53349 C C35 . LMG GD 33 . ? 53.987 -77.846 -71.074 1.00 117.21 ? 521 LMG C C35 1 +HETATM 53350 C C36 . LMG GD 33 . ? 53.413 -76.649 -70.318 1.00 103.70 ? 521 LMG C C36 1 +HETATM 53351 C C37 . LMG GD 33 . ? 54.402 -76.032 -69.338 1.00 106.59 ? 521 LMG C C37 1 +HETATM 53352 C C38 . LMG GD 33 . ? 54.300 -76.675 -67.959 1.00 106.74 ? 521 LMG C C38 1 +HETATM 53353 C C39 . LMG GD 33 . ? 54.991 -75.811 -66.908 1.00 104.36 ? 521 LMG C C39 1 +HETATM 53354 C C40 . LMG GD 33 . ? 54.702 -76.335 -65.511 1.00 115.40 ? 521 LMG C C40 1 +HETATM 53355 C C41 . LMG GD 33 . ? 55.613 -77.514 -65.179 1.00 133.70 ? 521 LMG C C41 1 +HETATM 53356 C C42 . LMG GD 33 . ? 57.071 -77.075 -65.063 1.00 146.95 ? 521 LMG C C42 1 +HETATM 53357 C C43 . LMG GD 33 . ? 57.993 -78.273 -64.947 1.00 125.37 ? 521 LMG C C43 1 +HETATM 53358 C C1 . HTG HD 34 . ? 56.095 -67.248 -79.753 1.00 142.08 ? 522 HTG C C1 1 +HETATM 53359 S S1 . HTG HD 34 . ? 55.881 -67.769 -78.062 1.00 133.65 ? 522 HTG C S1 1 +HETATM 53360 C C2 . HTG HD 34 . ? 55.192 -66.050 -80.092 1.00 124.67 ? 522 HTG C C2 1 +HETATM 53361 O O2 . HTG HD 34 . ? 53.817 -66.441 -80.012 1.00 122.24 ? 522 HTG C O2 1 +HETATM 53362 C C3 . HTG HD 34 . ? 55.461 -65.539 -81.504 1.00 121.43 ? 522 HTG C C3 1 +HETATM 53363 O O3 . HTG HD 34 . ? 54.674 -64.372 -81.791 1.00 117.08 ? 522 HTG C O3 1 +HETATM 53364 C C4 . HTG HD 34 . ? 56.936 -65.202 -81.639 1.00 122.45 ? 522 HTG C C4 1 +HETATM 53365 O O4 . HTG HD 34 . ? 57.214 -64.765 -82.977 1.00 134.44 ? 522 HTG C O4 1 +HETATM 53366 C C5 . HTG HD 34 . ? 57.788 -66.424 -81.322 1.00 130.79 ? 522 HTG C C5 1 +HETATM 53367 O O5 . HTG HD 34 . ? 57.484 -66.969 -80.024 1.00 135.27 ? 522 HTG C O5 1 +HETATM 53368 C C6 . HTG HD 34 . ? 59.263 -66.029 -81.398 1.00 123.80 ? 522 HTG C C6 1 +HETATM 53369 O O6 . HTG HD 34 . ? 60.086 -67.203 -81.304 1.00 138.56 ? 522 HTG C O6 1 +HETATM 53370 C "C1'" . HTG HD 34 . ? 56.337 -69.475 -77.899 1.00 133.80 ? 522 HTG C "C1'" 1 +HETATM 53371 C "C2'" . HTG HD 34 . ? 55.594 -70.164 -76.749 1.00 125.87 ? 522 HTG C "C2'" 1 +HETATM 53372 C "C3'" . HTG HD 34 . ? 55.593 -71.686 -76.917 1.00 147.90 ? 522 HTG C "C3'" 1 +HETATM 53373 C "C4'" . HTG HD 34 . ? 54.903 -72.435 -75.772 1.00 148.75 ? 522 HTG C "C4'" 1 +HETATM 53374 C "C5'" . HTG HD 34 . ? 55.712 -72.410 -74.473 1.00 148.24 ? 522 HTG C "C5'" 1 +HETATM 53375 C "C6'" . HTG HD 34 . ? 54.979 -73.094 -73.315 1.00 137.90 ? 522 HTG C "C6'" 1 +HETATM 53376 C "C7'" . HTG HD 34 . ? 55.715 -72.928 -71.997 1.00 112.88 ? 522 HTG C "C7'" 1 +HETATM 53377 C C1 A GOL ID 27 . ? 26.757 -44.757 -71.076 0.40 67.06 ? 523 GOL C C1 1 +HETATM 53378 C C1 B GOL ID 27 . ? 26.750 -44.817 -71.156 0.60 67.28 ? 523 GOL C C1 1 +HETATM 53379 O O1 A GOL ID 27 . ? 27.514 -45.393 -72.093 0.40 61.79 ? 523 GOL C O1 1 +HETATM 53380 O O1 B GOL ID 27 . ? 27.449 -45.654 -72.028 0.60 63.92 ? 523 GOL C O1 1 +HETATM 53381 C C2 A GOL ID 27 . ? 25.232 -45.112 -71.289 0.40 72.50 ? 523 GOL C C2 1 +HETATM 53382 C C2 B GOL ID 27 . ? 25.231 -45.042 -71.419 0.60 72.81 ? 523 GOL C C2 1 +HETATM 53383 O O2 A GOL ID 27 . ? 24.785 -44.788 -72.558 0.40 66.63 ? 523 GOL C O2 1 +HETATM 53384 O O2 B GOL ID 27 . ? 24.841 -44.515 -72.638 0.60 66.19 ? 523 GOL C O2 1 +HETATM 53385 C C3 A GOL ID 27 . ? 24.441 -44.356 -70.164 0.40 62.48 ? 523 GOL C C3 1 +HETATM 53386 C C3 B GOL ID 27 . ? 24.491 -44.362 -70.214 0.60 62.54 ? 523 GOL C C3 1 +HETATM 53387 O O3 A GOL ID 27 . ? 23.061 -44.704 -70.292 0.40 59.46 ? 523 GOL C O3 1 +HETATM 53388 O O3 B GOL ID 27 . ? 23.116 -44.702 -70.317 0.60 59.58 ? 523 GOL C O3 1 +HETATM 53389 CA CA . CA JD 36 . ? 68.194 -68.261 -44.130 1.00 72.02 ? 524 CA C CA 1 +HETATM 53390 C C A BCT KD 37 . ? 25.824 -59.401 -19.861 0.40 61.85 ? 401 BCT D C 1 +HETATM 53391 C C B BCT KD 37 . ? 25.754 -59.587 -19.705 0.60 62.52 ? 401 BCT D C 1 +HETATM 53392 O O1 A BCT KD 37 . ? 26.493 -58.480 -20.404 0.40 54.83 ? 401 BCT D O1 1 +HETATM 53393 O O1 B BCT KD 37 . ? 26.479 -58.628 -20.073 0.60 54.63 ? 401 BCT D O1 1 +HETATM 53394 O O2 A BCT KD 37 . ? 24.838 -59.995 -20.400 0.40 55.70 ? 401 BCT D O2 1 +HETATM 53395 O O2 B BCT KD 37 . ? 24.816 -60.050 -20.402 0.60 55.66 ? 401 BCT D O2 1 +HETATM 53396 O O3 A BCT KD 37 . ? 26.386 -59.966 -18.814 0.40 68.02 ? 401 BCT D O3 1 +HETATM 53397 O O3 B BCT KD 37 . ? 26.103 -60.265 -18.617 0.60 69.32 ? 401 BCT D O3 1 +HETATM 53398 MG MG A CLA LD 23 . ? 14.046 -43.674 -42.131 0.40 44.03 ? 402 CLA D MG 1 +HETATM 53399 MG MG B CLA LD 23 . ? 14.054 -43.658 -42.141 0.60 43.88 ? 402 CLA D MG 1 +HETATM 53400 C CHA A CLA LD 23 . ? 11.047 -44.938 -40.928 0.40 43.07 ? 402 CLA D CHA 1 +HETATM 53401 C CHA B CLA LD 23 . ? 11.063 -44.933 -40.919 0.60 43.06 ? 402 CLA D CHA 1 +HETATM 53402 C CHB A CLA LD 23 . ? 15.628 -45.339 -39.611 0.40 38.42 ? 402 CLA D CHB 1 +HETATM 53403 C CHB B CLA LD 23 . ? 15.638 -45.272 -39.605 0.60 38.19 ? 402 CLA D CHB 1 +HETATM 53404 C CHC A CLA LD 23 . ? 16.989 -43.019 -43.731 0.40 36.21 ? 402 CLA D CHC 1 +HETATM 53405 C CHC B CLA LD 23 . ? 16.991 -43.020 -43.754 0.60 36.08 ? 402 CLA D CHC 1 +HETATM 53406 C CHD A CLA LD 23 . ? 12.245 -42.548 -45.116 0.40 41.74 ? 402 CLA D CHD 1 +HETATM 53407 C CHD B CLA LD 23 . ? 12.237 -42.555 -45.122 0.60 41.80 ? 402 CLA D CHD 1 +HETATM 53408 N NA A CLA LD 23 . ? 13.467 -44.966 -40.595 0.40 46.01 ? 402 CLA D NA 1 +HETATM 53409 N NA B CLA LD 23 . ? 13.478 -44.933 -40.589 0.60 46.21 ? 402 CLA D NA 1 +HETATM 53410 C C1A A CLA LD 23 . ? 12.279 -45.201 -40.131 0.40 41.74 ? 402 CLA D C1A 1 +HETATM 53411 C C1A B CLA LD 23 . ? 12.301 -45.176 -40.125 0.60 41.62 ? 402 CLA D C1A 1 +HETATM 53412 C C2A A CLA LD 23 . ? 12.165 -45.901 -38.810 0.40 44.43 ? 402 CLA D C2A 1 +HETATM 53413 C C2A B CLA LD 23 . ? 12.197 -45.870 -38.796 0.60 44.40 ? 402 CLA D C2A 1 +HETATM 53414 C C3A A CLA LD 23 . ? 13.619 -45.950 -38.380 0.40 43.66 ? 402 CLA D C3A 1 +HETATM 53415 C C3A B CLA LD 23 . ? 13.652 -45.914 -38.376 0.60 43.64 ? 402 CLA D C3A 1 +HETATM 53416 C C4A A CLA LD 23 . ? 14.287 -45.390 -39.609 0.40 45.67 ? 402 CLA D C4A 1 +HETATM 53417 C C4A B CLA LD 23 . ? 14.300 -45.337 -39.608 0.60 45.76 ? 402 CLA D C4A 1 +HETATM 53418 C CMA A CLA LD 23 . ? 13.766 -44.911 -37.261 0.40 44.33 ? 402 CLA D CMA 1 +HETATM 53419 C CMA B CLA LD 23 . ? 13.823 -44.922 -37.231 0.60 44.42 ? 402 CLA D CMA 1 +HETATM 53420 C CAA A CLA LD 23 . ? 11.773 -47.368 -39.092 0.40 45.24 ? 402 CLA D CAA 1 +HETATM 53421 C CAA B CLA LD 23 . ? 11.804 -47.340 -39.060 0.60 45.35 ? 402 CLA D CAA 1 +HETATM 53422 C CBA A CLA LD 23 . ? 11.770 -48.231 -37.826 0.40 51.40 ? 402 CLA D CBA 1 +HETATM 53423 C CBA B CLA LD 23 . ? 11.692 -48.199 -37.797 0.60 51.49 ? 402 CLA D CBA 1 +HETATM 53424 C CGA A CLA LD 23 . ? 11.484 -49.697 -38.126 0.40 54.60 ? 402 CLA D CGA 1 +HETATM 53425 C CGA B CLA LD 23 . ? 11.436 -49.672 -38.120 0.60 54.70 ? 402 CLA D CGA 1 +HETATM 53426 O O1A A CLA LD 23 . ? 12.271 -50.593 -37.824 0.40 52.30 ? 402 CLA D O1A 1 +HETATM 53427 O O1A B CLA LD 23 . ? 12.235 -50.547 -37.814 0.60 52.45 ? 402 CLA D O1A 1 +HETATM 53428 O O2A A CLA LD 23 . ? 10.263 -50.110 -38.795 0.40 55.59 ? 402 CLA D O2A 1 +HETATM 53429 O O2A B CLA LD 23 . ? 10.224 -50.104 -38.797 0.60 55.76 ? 402 CLA D O2A 1 +HETATM 53430 N NB A CLA LD 23 . ? 15.999 -44.107 -41.714 0.40 39.97 ? 402 CLA D NB 1 +HETATM 53431 N NB B CLA LD 23 . ? 16.006 -44.070 -41.723 0.60 39.95 ? 402 CLA D NB 1 +HETATM 53432 C C1B A CLA LD 23 . ? 16.486 -44.793 -40.687 0.40 39.23 ? 402 CLA D C1B 1 +HETATM 53433 C C1B B CLA LD 23 . ? 16.492 -44.749 -40.685 0.60 39.24 ? 402 CLA D C1B 1 +HETATM 53434 C C2B A CLA LD 23 . ? 17.973 -44.944 -40.702 0.40 41.40 ? 402 CLA D C2B 1 +HETATM 53435 C C2B B CLA LD 23 . ? 17.967 -44.966 -40.726 0.60 41.42 ? 402 CLA D C2B 1 +HETATM 53436 C C3B A CLA LD 23 . ? 18.338 -44.239 -41.953 0.40 41.04 ? 402 CLA D C3B 1 +HETATM 53437 C C3B B CLA LD 23 . ? 18.335 -44.273 -41.983 0.60 41.14 ? 402 CLA D C3B 1 +HETATM 53438 C C4B A CLA LD 23 . ? 17.042 -43.770 -42.475 0.40 37.51 ? 402 CLA D C4B 1 +HETATM 53439 C C4B B CLA LD 23 . ? 17.050 -43.762 -42.493 0.60 37.41 ? 402 CLA D C4B 1 +HETATM 53440 C CMB A CLA LD 23 . ? 18.850 -45.647 -39.712 0.40 43.29 ? 402 CLA D CMB 1 +HETATM 53441 C CMB B CLA LD 23 . ? 18.861 -45.678 -39.755 0.60 43.34 ? 402 CLA D CMB 1 +HETATM 53442 C CAB A CLA LD 23 . ? 19.632 -43.978 -42.632 0.40 39.82 ? 402 CLA D CAB 1 +HETATM 53443 C CAB B CLA LD 23 . ? 19.648 -44.084 -42.641 0.60 39.91 ? 402 CLA D CAB 1 +HETATM 53444 C CBB A CLA LD 23 . ? 20.661 -43.567 -41.924 0.40 46.58 ? 402 CLA D CBB 1 +HETATM 53445 C CBB B CLA LD 23 . ? 20.594 -43.418 -42.013 0.60 47.02 ? 402 CLA D CBB 1 +HETATM 53446 N NC A CLA LD 23 . ? 14.503 -43.004 -44.039 0.40 43.77 ? 402 CLA D NC 1 +HETATM 53447 N NC B CLA LD 23 . ? 14.501 -43.021 -44.065 0.60 44.02 ? 402 CLA D NC 1 +HETATM 53448 C C1C A CLA LD 23 . ? 15.749 -42.649 -44.422 0.40 41.39 ? 402 CLA D C1C 1 +HETATM 53449 C C1C B CLA LD 23 . ? 15.745 -42.658 -44.444 0.60 41.44 ? 402 CLA D C1C 1 +HETATM 53450 C C2C A CLA LD 23 . ? 15.835 -41.805 -45.633 0.40 40.62 ? 402 CLA D C2C 1 +HETATM 53451 C C2C B CLA LD 23 . ? 15.824 -41.798 -45.654 0.60 40.73 ? 402 CLA D C2C 1 +HETATM 53452 C C3C A CLA LD 23 . ? 14.422 -41.663 -46.027 0.40 41.51 ? 402 CLA D C3C 1 +HETATM 53453 C C3C B CLA LD 23 . ? 14.406 -41.658 -46.044 0.60 41.64 ? 402 CLA D C3C 1 +HETATM 53454 C C4C A CLA LD 23 . ? 13.714 -42.459 -44.994 0.40 40.02 ? 402 CLA D C4C 1 +HETATM 53455 C C4C B CLA LD 23 . ? 13.706 -42.466 -45.011 0.60 39.98 ? 402 CLA D C4C 1 +HETATM 53456 C CMC A CLA LD 23 . ? 17.058 -41.224 -46.307 0.40 36.97 ? 402 CLA D CMC 1 +HETATM 53457 C CMC B CLA LD 23 . ? 17.044 -41.202 -46.317 0.60 36.94 ? 402 CLA D CMC 1 +HETATM 53458 C CAC A CLA LD 23 . ? 13.839 -40.902 -47.204 0.40 38.93 ? 402 CLA D CAC 1 +HETATM 53459 C CAC B CLA LD 23 . ? 13.810 -40.892 -47.208 0.60 38.89 ? 402 CLA D CAC 1 +HETATM 53460 C CBC A CLA LD 23 . ? 13.076 -39.720 -46.631 0.40 38.74 ? 402 CLA D CBC 1 +HETATM 53461 C CBC B CLA LD 23 . ? 13.095 -39.699 -46.600 0.60 38.64 ? 402 CLA D CBC 1 +HETATM 53462 N ND A CLA LD 23 . ? 12.173 -43.717 -42.930 0.40 46.97 ? 402 CLA D ND 1 +HETATM 53463 N ND B CLA LD 23 . ? 12.180 -43.715 -42.929 0.60 47.19 ? 402 CLA D ND 1 +HETATM 53464 C C1D A CLA LD 23 . ? 11.488 -43.250 -44.090 0.40 44.44 ? 402 CLA D C1D 1 +HETATM 53465 C C1D B CLA LD 23 . ? 11.485 -43.254 -44.089 0.60 44.52 ? 402 CLA D C1D 1 +HETATM 53466 C C2D A CLA LD 23 . ? 10.025 -43.478 -44.126 0.40 48.23 ? 402 CLA D C2D 1 +HETATM 53467 C C2D B CLA LD 23 . ? 10.024 -43.497 -44.110 0.60 48.40 ? 402 CLA D C2D 1 +HETATM 53468 C C3D A CLA LD 23 . ? 9.871 -44.173 -42.828 0.40 41.51 ? 402 CLA D C3D 1 +HETATM 53469 C C3D B CLA LD 23 . ? 9.878 -44.187 -42.805 0.60 41.47 ? 402 CLA D C3D 1 +HETATM 53470 C C4D A CLA LD 23 . ? 11.122 -44.282 -42.248 0.40 42.63 ? 402 CLA D C4D 1 +HETATM 53471 C C4D B CLA LD 23 . ? 11.134 -44.284 -42.235 0.60 42.59 ? 402 CLA D C4D 1 +HETATM 53472 C CMD A CLA LD 23 . ? 8.907 -43.185 -45.086 0.40 43.95 ? 402 CLA D CMD 1 +HETATM 53473 C CMD B CLA LD 23 . ? 8.886 -43.219 -45.051 0.60 44.07 ? 402 CLA D CMD 1 +HETATM 53474 C CAD A CLA LD 23 . ? 8.915 -44.837 -41.915 0.40 49.13 ? 402 CLA D CAD 1 +HETATM 53475 C CAD B CLA LD 23 . ? 8.920 -44.853 -41.891 0.60 49.35 ? 402 CLA D CAD 1 +HETATM 53476 O OBD A CLA LD 23 . ? 7.661 -44.920 -42.139 0.40 46.09 ? 402 CLA D OBD 1 +HETATM 53477 O OBD B CLA LD 23 . ? 7.665 -44.946 -42.127 0.60 46.18 ? 402 CLA D OBD 1 +HETATM 53478 C CBD A CLA LD 23 . ? 9.631 -45.328 -40.698 0.40 44.45 ? 402 CLA D CBD 1 +HETATM 53479 C CBD B CLA LD 23 . ? 9.646 -45.328 -40.677 0.60 44.42 ? 402 CLA D CBD 1 +HETATM 53480 C CGD A CLA LD 23 . ? 9.102 -44.573 -39.528 0.40 44.61 ? 402 CLA D CGD 1 +HETATM 53481 C CGD B CLA LD 23 . ? 9.138 -44.555 -39.496 0.60 44.65 ? 402 CLA D CGD 1 +HETATM 53482 O O1D A CLA LD 23 . ? 9.511 -43.463 -39.243 0.40 45.25 ? 402 CLA D O1D 1 +HETATM 53483 O O1D B CLA LD 23 . ? 9.541 -43.436 -39.231 0.60 45.36 ? 402 CLA D O1D 1 +HETATM 53484 O O2D A CLA LD 23 . ? 8.059 -45.160 -38.719 0.40 46.05 ? 402 CLA D O2D 1 +HETATM 53485 O O2D B CLA LD 23 . ? 8.134 -45.151 -38.640 0.60 46.25 ? 402 CLA D O2D 1 +HETATM 53486 C CED A CLA LD 23 . ? 7.499 -44.448 -37.617 0.40 38.42 ? 402 CLA D CED 1 +HETATM 53487 C CED B CLA LD 23 . ? 7.538 -44.412 -37.581 0.60 38.28 ? 402 CLA D CED 1 +HETATM 53488 C C1 A CLA LD 23 . ? 10.144 -51.471 -39.243 0.40 53.91 ? 402 CLA D C1 1 +HETATM 53489 C C1 B CLA LD 23 . ? 10.107 -51.469 -39.213 0.60 54.07 ? 402 CLA D C1 1 +HETATM 53490 C C2 A CLA LD 23 . ? 8.683 -51.887 -39.187 0.40 49.39 ? 402 CLA D C2 1 +HETATM 53491 C C2 B CLA LD 23 . ? 8.654 -51.889 -39.151 0.60 49.37 ? 402 CLA D C2 1 +HETATM 53492 C C3 A CLA LD 23 . ? 8.133 -52.176 -38.008 0.40 47.85 ? 402 CLA D C3 1 +HETATM 53493 C C3 B CLA LD 23 . ? 8.134 -52.229 -37.963 0.60 47.85 ? 402 CLA D C3 1 +HETATM 53494 C C4 A CLA LD 23 . ? 8.983 -52.112 -36.777 0.40 52.89 ? 402 CLA D C4 1 +HETATM 53495 C C4 B CLA LD 23 . ? 9.001 -52.199 -36.741 0.60 52.97 ? 402 CLA D C4 1 +HETATM 53496 C C5 A CLA LD 23 . ? 6.681 -52.585 -37.879 0.40 62.62 ? 402 CLA D C5 1 +HETATM 53497 C C5 B CLA LD 23 . ? 6.687 -52.649 -37.841 0.60 62.97 ? 402 CLA D C5 1 +HETATM 53498 C C6 A CLA LD 23 . ? 6.479 -53.855 -37.034 0.40 54.77 ? 402 CLA D C6 1 +HETATM 53499 C C6 B CLA LD 23 . ? 6.476 -53.946 -37.056 0.60 54.73 ? 402 CLA D C6 1 +HETATM 53500 C C7 A CLA LD 23 . ? 7.159 -55.045 -37.696 0.40 54.93 ? 402 CLA D C7 1 +HETATM 53501 C C7 B CLA LD 23 . ? 7.200 -55.111 -37.713 0.60 55.10 ? 402 CLA D C7 1 +HETATM 53502 C C8 A CLA LD 23 . ? 6.640 -56.415 -37.244 0.40 52.95 ? 402 CLA D C8 1 +HETATM 53503 C C8 B CLA LD 23 . ? 6.692 -56.485 -37.265 0.60 52.94 ? 402 CLA D C8 1 +HETATM 53504 C C9 A CLA LD 23 . ? 7.039 -56.768 -35.817 0.40 47.04 ? 402 CLA D C9 1 +HETATM 53505 C C9 B CLA LD 23 . ? 6.973 -56.796 -35.798 0.60 46.96 ? 402 CLA D C9 1 +HETATM 53506 C C10 A CLA LD 23 . ? 7.229 -57.427 -38.216 0.40 52.81 ? 402 CLA D C10 1 +HETATM 53507 C C10 B CLA LD 23 . ? 7.384 -57.503 -38.156 0.60 52.98 ? 402 CLA D C10 1 +HETATM 53508 C C11 A CLA LD 23 . ? 6.895 -58.892 -37.924 0.40 52.91 ? 402 CLA D C11 1 +HETATM 53509 C C11 B CLA LD 23 . ? 6.928 -58.942 -37.934 0.60 52.79 ? 402 CLA D C11 1 +HETATM 53510 C C12 A CLA LD 23 . ? 7.143 -59.654 -39.216 0.40 58.66 ? 402 CLA D C12 1 +HETATM 53511 C C12 B CLA LD 23 . ? 7.189 -59.683 -39.237 0.60 58.59 ? 402 CLA D C12 1 +HETATM 53512 C C13 A CLA LD 23 . ? 6.900 -61.144 -39.114 0.40 69.79 ? 402 CLA D C13 1 +HETATM 53513 C C13 B CLA LD 23 . ? 6.980 -61.178 -39.134 0.60 69.94 ? 402 CLA D C13 1 +HETATM 53514 C C14 A CLA LD 23 . ? 8.052 -61.823 -38.392 0.40 80.45 ? 402 CLA D C14 1 +HETATM 53515 C C14 B CLA LD 23 . ? 8.169 -61.818 -38.438 0.60 80.91 ? 402 CLA D C14 1 +HETATM 53516 C C15 A CLA LD 23 . ? 6.718 -61.686 -40.525 0.40 69.94 ? 402 CLA D C15 1 +HETATM 53517 C C15 B CLA LD 23 . ? 6.775 -61.733 -40.541 0.60 69.97 ? 402 CLA D C15 1 +HETATM 53518 C C16 A CLA LD 23 . ? 7.960 -61.685 -41.418 0.40 70.75 ? 402 CLA D C16 1 +HETATM 53519 C C16 B CLA LD 23 . ? 7.999 -61.667 -41.455 0.60 70.71 ? 402 CLA D C16 1 +HETATM 53520 C C17 A CLA LD 23 . ? 7.534 -62.141 -42.815 0.40 69.31 ? 402 CLA D C17 1 +HETATM 53521 C C17 B CLA LD 23 . ? 7.603 -62.175 -42.842 0.60 69.31 ? 402 CLA D C17 1 +HETATM 53522 C C18 A CLA LD 23 . ? 8.667 -62.418 -43.802 0.40 73.29 ? 402 CLA D C18 1 +HETATM 53523 C C18 B CLA LD 23 . ? 8.768 -62.460 -43.786 0.60 73.29 ? 402 CLA D C18 1 +HETATM 53524 C C19 A CLA LD 23 . ? 9.236 -61.149 -44.413 0.40 67.52 ? 402 CLA D C19 1 +HETATM 53525 C C19 B CLA LD 23 . ? 9.360 -61.190 -44.387 0.60 67.61 ? 402 CLA D C19 1 +HETATM 53526 C C20 A CLA LD 23 . ? 8.176 -63.327 -44.917 0.40 69.18 ? 402 CLA D C20 1 +HETATM 53527 C C20 B CLA LD 23 . ? 8.302 -63.374 -44.909 0.60 69.18 ? 402 CLA D C20 1 +HETATM 53528 MG MG . CLA MD 23 . ? -10.531 -62.789 -39.626 1.00 59.16 ? 403 CLA D MG 1 +HETATM 53529 C CHA . CLA MD 23 . ? -11.962 -60.397 -41.674 1.00 49.67 ? 403 CLA D CHA 1 +HETATM 53530 C CHB . CLA MD 23 . ? -10.509 -60.489 -37.148 1.00 57.56 ? 403 CLA D CHB 1 +HETATM 53531 C CHC . CLA MD 23 . ? -9.860 -65.345 -37.461 1.00 55.45 ? 403 CLA D CHC 1 +HETATM 53532 C CHD . CLA MD 23 . ? -11.105 -65.270 -42.302 1.00 57.84 ? 403 CLA D CHD 1 +HETATM 53533 N NA . CLA MD 23 . ? -11.173 -60.820 -39.411 1.00 55.27 ? 403 CLA D NA 1 +HETATM 53534 C C1A . CLA MD 23 . ? -11.604 -59.985 -40.280 1.00 58.93 ? 403 CLA D C1A 1 +HETATM 53535 C C2A . CLA MD 23 . ? -11.809 -58.551 -39.855 1.00 58.91 ? 403 CLA D C2A 1 +HETATM 53536 C C3A . CLA MD 23 . ? -11.279 -58.609 -38.447 1.00 59.95 ? 403 CLA D C3A 1 +HETATM 53537 C C4A . CLA MD 23 . ? -10.965 -60.074 -38.329 1.00 61.54 ? 403 CLA D C4A 1 +HETATM 53538 C CMA . CLA MD 23 . ? -9.940 -57.909 -38.541 1.00 48.27 ? 403 CLA D CMA 1 +HETATM 53539 C CAA . CLA MD 23 . ? -13.307 -58.226 -39.716 1.00 47.41 ? 403 CLA D CAA 1 +HETATM 53540 C CBA . CLA MD 23 . ? -14.010 -59.251 -38.809 1.00 59.26 ? 403 CLA D CBA 1 +HETATM 53541 C CGA . CLA MD 23 . ? -15.455 -58.950 -38.485 1.00 57.76 ? 403 CLA D CGA 1 +HETATM 53542 O O1A . CLA MD 23 . ? -16.012 -57.921 -38.822 1.00 60.02 ? 403 CLA D O1A 1 +HETATM 53543 O O2A . CLA MD 23 . ? -16.244 -59.920 -37.777 1.00 60.30 ? 403 CLA D O2A 1 +HETATM 53544 N NB . CLA MD 23 . ? -10.243 -62.898 -37.589 1.00 59.45 ? 403 CLA D NB 1 +HETATM 53545 C C1B . CLA MD 23 . ? -10.152 -61.867 -36.751 1.00 60.94 ? 403 CLA D C1B 1 +HETATM 53546 C C2B . CLA MD 23 . ? -9.738 -62.217 -35.363 1.00 55.52 ? 403 CLA D C2B 1 +HETATM 53547 C C3B . CLA MD 23 . ? -9.535 -63.668 -35.456 1.00 61.12 ? 403 CLA D C3B 1 +HETATM 53548 C C4B . CLA MD 23 . ? -9.891 -63.986 -36.878 1.00 54.58 ? 403 CLA D C4B 1 +HETATM 53549 C CMB . CLA MD 23 . ? -9.536 -61.370 -34.138 1.00 53.48 ? 403 CLA D CMB 1 +HETATM 53550 C CAB . CLA MD 23 . ? -9.099 -64.520 -34.310 1.00 59.93 ? 403 CLA D CAB 1 +HETATM 53551 C CBB . CLA MD 23 . ? -9.563 -65.736 -34.161 1.00 82.52 ? 403 CLA D CBB 1 +HETATM 53552 N NC . CLA MD 23 . ? -10.508 -64.856 -39.858 1.00 66.69 ? 403 CLA D NC 1 +HETATM 53553 C C1C . CLA MD 23 . ? -10.218 -65.710 -38.847 1.00 58.45 ? 403 CLA D C1C 1 +HETATM 53554 C C2C . CLA MD 23 . ? -10.249 -67.159 -39.235 1.00 69.72 ? 403 CLA D C2C 1 +HETATM 53555 C C3C . CLA MD 23 . ? -10.620 -67.126 -40.671 1.00 63.80 ? 403 CLA D C3C 1 +HETATM 53556 C C4C . CLA MD 23 . ? -10.742 -65.661 -40.929 1.00 52.85 ? 403 CLA D C4C 1 +HETATM 53557 C CMC . CLA MD 23 . ? -9.985 -68.367 -38.374 1.00 58.23 ? 403 CLA D CMC 1 +HETATM 53558 C CAC . CLA MD 23 . ? -10.809 -68.287 -41.637 1.00 56.44 ? 403 CLA D CAC 1 +HETATM 53559 C CBC . CLA MD 23 . ? -12.295 -68.564 -41.712 1.00 64.45 ? 403 CLA D CBC 1 +HETATM 53560 N ND . CLA MD 23 . ? -11.340 -62.907 -41.483 1.00 59.38 ? 403 CLA D ND 1 +HETATM 53561 C C1D . CLA MD 23 . ? -11.481 -63.873 -42.541 1.00 60.95 ? 403 CLA D C1D 1 +HETATM 53562 C C2D . CLA MD 23 . ? -12.008 -63.356 -43.826 1.00 56.16 ? 403 CLA D C2D 1 +HETATM 53563 C C3D . CLA MD 23 . ? -12.193 -61.921 -43.453 1.00 61.46 ? 403 CLA D C3D 1 +HETATM 53564 C C4D . CLA MD 23 . ? -11.814 -61.779 -42.119 1.00 57.23 ? 403 CLA D C4D 1 +HETATM 53565 C CMD . CLA MD 23 . ? -12.319 -63.964 -45.165 1.00 57.37 ? 403 CLA D CMD 1 +HETATM 53566 C CAD . CLA MD 23 . ? -12.653 -60.585 -43.907 1.00 56.48 ? 403 CLA D CAD 1 +HETATM 53567 O OBD . CLA MD 23 . ? -13.088 -60.334 -45.087 1.00 57.69 ? 403 CLA D OBD 1 +HETATM 53568 C CBD . CLA MD 23 . ? -12.471 -59.592 -42.800 1.00 62.71 ? 403 CLA D CBD 1 +HETATM 53569 C CGD . CLA MD 23 . ? -11.338 -58.676 -43.245 1.00 59.65 ? 403 CLA D CGD 1 +HETATM 53570 O O1D . CLA MD 23 . ? -10.165 -58.897 -42.974 1.00 54.58 ? 403 CLA D O1D 1 +HETATM 53571 O O2D . CLA MD 23 . ? -11.635 -57.510 -44.050 1.00 54.75 ? 403 CLA D O2D 1 +HETATM 53572 C CED . CLA MD 23 . ? -10.659 -56.956 -44.920 1.00 64.17 ? 403 CLA D CED 1 +HETATM 53573 C C1 . CLA MD 23 . ? -17.366 -59.516 -37.005 1.00 67.75 ? 403 CLA D C1 1 +HETATM 53574 C C2 . CLA MD 23 . ? -17.757 -60.715 -36.166 1.00 65.24 ? 403 CLA D C2 1 +HETATM 53575 C C3 . CLA MD 23 . ? -17.590 -60.753 -34.841 1.00 69.27 ? 403 CLA D C3 1 +HETATM 53576 C C4 . CLA MD 23 . ? -16.989 -59.580 -34.129 1.00 67.11 ? 403 CLA D C4 1 +HETATM 53577 C C5 . CLA MD 23 . ? -17.996 -61.987 -34.066 1.00 67.59 ? 403 CLA D C5 1 +HETATM 53578 C C6 . CLA MD 23 . ? -18.453 -61.657 -32.651 1.00 80.77 ? 403 CLA D C6 1 +HETATM 53579 C C7 . CLA MD 23 . ? -19.793 -62.303 -32.302 1.00 104.04 ? 403 CLA D C7 1 +HETATM 53580 C C8 . CLA MD 23 . ? -20.399 -61.710 -31.023 1.00 108.24 ? 403 CLA D C8 1 +HETATM 53581 C C9 . CLA MD 23 . ? -19.330 -61.478 -29.959 1.00 94.73 ? 403 CLA D C9 1 +HETATM 53582 C C10 . CLA MD 23 . ? -21.496 -62.620 -30.468 1.00 128.05 ? 403 CLA D C10 1 +HETATM 53583 C C11 . CLA MD 23 . ? -22.916 -62.159 -30.809 1.00 114.14 ? 403 CLA D C11 1 +HETATM 53584 C C12 . CLA MD 23 . ? -23.325 -62.603 -32.212 1.00 120.63 ? 403 CLA D C12 1 +HETATM 53585 C C13 . CLA MD 23 . ? -24.649 -63.366 -32.241 1.00 134.19 ? 403 CLA D C13 1 +HETATM 53586 C C14 . CLA MD 23 . ? -24.522 -64.721 -31.546 1.00 135.47 ? 403 CLA D C14 1 +HETATM 53587 C C15 . CLA MD 23 . ? -25.089 -63.554 -33.693 1.00 132.02 ? 403 CLA D C15 1 +HETATM 53588 C C16 . CLA MD 23 . ? -26.276 -62.674 -34.091 1.00 135.58 ? 403 CLA D C16 1 +HETATM 53589 C C17 . CLA MD 23 . ? -26.530 -62.749 -35.601 1.00 127.38 ? 403 CLA D C17 1 +HETATM 53590 C C18 . CLA MD 23 . ? -27.996 -62.477 -35.946 1.00 138.52 ? 403 CLA D C18 1 +HETATM 53591 C C19 . CLA MD 23 . ? -28.290 -62.765 -37.419 1.00 121.78 ? 403 CLA D C19 1 +HETATM 53592 C C20 . CLA MD 23 . ? -28.407 -61.055 -35.562 1.00 124.15 ? 403 CLA D C20 1 +HETATM 53593 C C1 . BCR ND 25 . ? -8.047 -67.568 -46.449 1.00 69.31 ? 404 BCR D C1 1 +HETATM 53594 C C2 . BCR ND 25 . ? -9.198 -66.623 -46.765 1.00 64.84 ? 404 BCR D C2 1 +HETATM 53595 C C3 . BCR ND 25 . ? -8.975 -65.873 -48.062 1.00 79.79 ? 404 BCR D C3 1 +HETATM 53596 C C4 . BCR ND 25 . ? -7.769 -64.964 -47.929 1.00 62.47 ? 404 BCR D C4 1 +HETATM 53597 C C5 . BCR ND 25 . ? -6.585 -65.777 -47.458 1.00 75.86 ? 404 BCR D C5 1 +HETATM 53598 C C6 . BCR ND 25 . ? -6.702 -66.965 -46.780 1.00 67.98 ? 404 BCR D C6 1 +HETATM 53599 C C7 . BCR ND 25 . ? -5.482 -67.691 -46.328 1.00 54.18 ? 404 BCR D C7 1 +HETATM 53600 C C8 . BCR ND 25 . ? -4.569 -68.265 -47.120 1.00 55.26 ? 404 BCR D C8 1 +HETATM 53601 C C9 . BCR ND 25 . ? -3.372 -68.853 -46.483 1.00 55.99 ? 404 BCR D C9 1 +HETATM 53602 C C10 . BCR ND 25 . ? -2.312 -69.153 -47.250 1.00 50.05 ? 404 BCR D C10 1 +HETATM 53603 C C11 . BCR ND 25 . ? -1.033 -69.672 -46.756 1.00 47.22 ? 404 BCR D C11 1 +HETATM 53604 C C33 . BCR ND 25 . ? -5.262 -65.143 -47.790 1.00 53.86 ? 404 BCR D C33 1 +HETATM 53605 C C31 . BCR ND 25 . ? -8.147 -68.875 -47.228 1.00 73.37 ? 404 BCR D C31 1 +HETATM 53606 C C32 . BCR ND 25 . ? -8.128 -67.851 -44.963 1.00 62.21 ? 404 BCR D C32 1 +HETATM 53607 C C34 . BCR ND 25 . ? -3.343 -69.060 -44.994 1.00 52.66 ? 404 BCR D C34 1 +HETATM 53608 C C12 . BCR ND 25 . ? -0.067 -69.692 -47.688 1.00 51.32 ? 404 BCR D C12 1 +HETATM 53609 C C13 . BCR ND 25 . ? 1.337 -70.075 -47.448 1.00 51.96 ? 404 BCR D C13 1 +HETATM 53610 C C14 . BCR ND 25 . ? 2.229 -70.020 -48.470 1.00 51.31 ? 404 BCR D C14 1 +HETATM 53611 C C15 . BCR ND 25 . ? 3.668 -70.298 -48.303 1.00 55.59 ? 404 BCR D C15 1 +HETATM 53612 C C16 . BCR ND 25 . ? 4.546 -70.165 -49.315 1.00 50.54 ? 404 BCR D C16 1 +HETATM 53613 C C17 . BCR ND 25 . ? 5.981 -70.358 -49.046 1.00 56.49 ? 404 BCR D C17 1 +HETATM 53614 C C18 . BCR ND 25 . ? 6.955 -70.053 -49.943 1.00 52.61 ? 404 BCR D C18 1 +HETATM 53615 C C19 . BCR ND 25 . ? 8.378 -70.188 -49.555 1.00 56.78 ? 404 BCR D C19 1 +HETATM 53616 C C20 . BCR ND 25 . ? 9.405 -70.060 -50.408 1.00 58.62 ? 404 BCR D C20 1 +HETATM 53617 C C21 . BCR ND 25 . ? 10.748 -70.134 -49.822 1.00 63.60 ? 404 BCR D C21 1 +HETATM 53618 C C22 . BCR ND 25 . ? 11.890 -69.937 -50.510 1.00 64.69 ? 404 BCR D C22 1 +HETATM 53619 C C23 . BCR ND 25 . ? 13.048 -69.973 -49.816 1.00 64.22 ? 404 BCR D C23 1 +HETATM 53620 C C24 . BCR ND 25 . ? 14.179 -69.355 -50.210 1.00 93.77 ? 404 BCR D C24 1 +HETATM 53621 C C25 . BCR ND 25 . ? 15.438 -69.322 -49.396 1.00 99.62 ? 404 BCR D C25 1 +HETATM 53622 C C26 . BCR ND 25 . ? 15.556 -68.384 -48.446 1.00 99.15 ? 404 BCR D C26 1 +HETATM 53623 C C27 . BCR ND 25 . ? 16.787 -68.266 -47.585 1.00 115.60 ? 404 BCR D C27 1 +HETATM 53624 C C28 . BCR ND 25 . ? 17.329 -69.658 -47.331 1.00 109.91 ? 404 BCR D C28 1 +HETATM 53625 C C29 . BCR ND 25 . ? 17.743 -70.211 -48.672 1.00 91.47 ? 404 BCR D C29 1 +HETATM 53626 C C30 . BCR ND 25 . ? 16.569 -70.296 -49.647 1.00 106.58 ? 404 BCR D C30 1 +HETATM 53627 C C35 . BCR ND 25 . ? 1.749 -70.445 -46.043 1.00 51.76 ? 404 BCR D C35 1 +HETATM 53628 C C36 . BCR ND 25 . ? 6.632 -69.493 -51.300 1.00 44.52 ? 404 BCR D C36 1 +HETATM 53629 C C37 . BCR ND 25 . ? 11.825 -69.649 -51.980 1.00 52.74 ? 404 BCR D C37 1 +HETATM 53630 C C38 . BCR ND 25 . ? 14.454 -67.399 -48.195 1.00 108.04 ? 404 BCR D C38 1 +HETATM 53631 C C39 . BCR ND 25 . ? 15.987 -71.704 -49.574 1.00 93.71 ? 404 BCR D C39 1 +HETATM 53632 C C40 . BCR ND 25 . ? 17.128 -69.933 -51.011 1.00 93.33 ? 404 BCR D C40 1 +HETATM 53633 C C2 A PL9 OD 29 . ? 30.758 -51.611 -23.624 0.40 47.71 ? 405 PL9 D C2 1 +HETATM 53634 C C2 B PL9 OD 29 . ? 30.706 -51.614 -23.519 0.60 47.89 ? 405 PL9 D C2 1 +HETATM 53635 C C3 A PL9 OD 29 . ? 31.404 -50.462 -23.166 0.40 54.92 ? 405 PL9 D C3 1 +HETATM 53636 C C3 B PL9 OD 29 . ? 31.292 -50.461 -22.984 0.60 55.75 ? 405 PL9 D C3 1 +HETATM 53637 C C4 A PL9 OD 29 . ? 31.786 -50.357 -21.730 0.40 54.99 ? 405 PL9 D C4 1 +HETATM 53638 C C4 B PL9 OD 29 . ? 31.757 -50.433 -21.576 0.60 55.09 ? 405 PL9 D C4 1 +HETATM 53639 C C5 A PL9 OD 29 . ? 31.694 -51.528 -20.843 0.40 55.83 ? 405 PL9 D C5 1 +HETATM 53640 C C5 B PL9 OD 29 . ? 31.623 -51.641 -20.739 0.60 56.18 ? 405 PL9 D C5 1 +HETATM 53641 C C6 A PL9 OD 29 . ? 31.031 -52.732 -21.366 0.40 56.84 ? 405 PL9 D C6 1 +HETATM 53642 C C6 B PL9 OD 29 . ? 30.987 -52.837 -21.336 0.60 57.16 ? 405 PL9 D C6 1 +HETATM 53643 C C1 A PL9 OD 29 . ? 30.522 -52.699 -22.767 0.40 50.47 ? 405 PL9 D C1 1 +HETATM 53644 C C1 B PL9 OD 29 . ? 30.507 -52.761 -22.743 0.60 50.42 ? 405 PL9 D C1 1 +HETATM 53645 C C7 A PL9 OD 29 . ? 31.603 -49.241 -24.039 0.40 48.79 ? 405 PL9 D C7 1 +HETATM 53646 C C7 B PL9 OD 29 . ? 31.500 -49.218 -23.816 0.60 48.37 ? 405 PL9 D C7 1 +HETATM 53647 C C8 A PL9 OD 29 . ? 30.332 -48.550 -24.489 0.40 50.74 ? 405 PL9 D C8 1 +HETATM 53648 C C8 B PL9 OD 29 . ? 30.253 -48.556 -24.346 0.60 50.59 ? 405 PL9 D C8 1 +HETATM 53649 C C9 A PL9 OD 29 . ? 30.096 -47.248 -24.304 0.40 49.63 ? 405 PL9 D C9 1 +HETATM 53650 C C9 B PL9 OD 29 . ? 30.044 -47.240 -24.240 0.60 49.66 ? 405 PL9 D C9 1 +HETATM 53651 C C10 A PL9 OD 29 . ? 31.098 -46.386 -23.590 0.40 48.73 ? 405 PL9 D C10 1 +HETATM 53652 C C10 B PL9 OD 29 . ? 30.956 -46.394 -23.395 0.60 47.61 ? 405 PL9 D C10 1 +HETATM 53653 C C11 A PL9 OD 29 . ? 28.759 -46.676 -24.739 0.40 56.56 ? 405 PL9 D C11 1 +HETATM 53654 C C11 B PL9 OD 29 . ? 28.737 -46.681 -24.764 0.60 56.71 ? 405 PL9 D C11 1 +HETATM 53655 C C12 A PL9 OD 29 . ? 28.921 -45.608 -25.820 0.40 50.33 ? 405 PL9 D C12 1 +HETATM 53656 C C12 B PL9 OD 29 . ? 28.942 -45.690 -25.908 0.60 50.40 ? 405 PL9 D C12 1 +HETATM 53657 C C13 A PL9 OD 29 . ? 27.585 -45.333 -26.486 0.40 49.83 ? 405 PL9 D C13 1 +HETATM 53658 C C13 B PL9 OD 29 . ? 27.594 -45.372 -26.518 0.60 49.91 ? 405 PL9 D C13 1 +HETATM 53659 C C14 A PL9 OD 29 . ? 27.449 -44.477 -27.519 0.40 47.24 ? 405 PL9 D C14 1 +HETATM 53660 C C14 B PL9 OD 29 . ? 27.457 -44.508 -27.541 0.60 47.28 ? 405 PL9 D C14 1 +HETATM 53661 C C15 A PL9 OD 29 . ? 28.656 -43.871 -28.178 0.40 43.81 ? 405 PL9 D C15 1 +HETATM 53662 C C15 B PL9 OD 29 . ? 28.668 -43.872 -28.158 0.60 43.71 ? 405 PL9 D C15 1 +HETATM 53663 C C16 A PL9 OD 29 . ? 26.103 -44.262 -28.178 0.40 53.58 ? 405 PL9 D C16 1 +HETATM 53664 C C16 B PL9 OD 29 . ? 26.123 -44.311 -28.221 0.60 53.84 ? 405 PL9 D C16 1 +HETATM 53665 C C17 A PL9 OD 29 . ? 24.908 -44.484 -27.245 0.40 48.91 ? 405 PL9 D C17 1 +HETATM 53666 C C17 B PL9 OD 29 . ? 24.934 -44.430 -27.271 0.60 49.02 ? 405 PL9 D C17 1 +HETATM 53667 C C18 A PL9 OD 29 . ? 23.654 -44.177 -28.044 0.40 45.09 ? 405 PL9 D C18 1 +HETATM 53668 C C18 B PL9 OD 29 . ? 23.688 -44.132 -28.074 0.60 45.13 ? 405 PL9 D C18 1 +HETATM 53669 C C19 A PL9 OD 29 . ? 23.017 -43.004 -27.875 0.40 48.17 ? 405 PL9 D C19 1 +HETATM 53670 C C19 B PL9 OD 29 . ? 23.005 -42.985 -27.897 0.60 48.28 ? 405 PL9 D C19 1 +HETATM 53671 C C20 A PL9 OD 29 . ? 23.501 -41.991 -26.866 0.40 42.81 ? 405 PL9 D C20 1 +HETATM 53672 C C20 B PL9 OD 29 . ? 23.459 -41.955 -26.901 0.60 42.71 ? 405 PL9 D C20 1 +HETATM 53673 C C21 A PL9 OD 29 . ? 21.812 -42.677 -28.721 0.40 49.67 ? 405 PL9 D C21 1 +HETATM 53674 C C21 B PL9 OD 29 . ? 21.796 -42.699 -28.758 0.60 49.75 ? 405 PL9 D C21 1 +HETATM 53675 C C22 A PL9 OD 29 . ? 20.636 -42.195 -27.855 0.40 42.64 ? 405 PL9 D C22 1 +HETATM 53676 C C22 B PL9 OD 29 . ? 20.642 -42.156 -27.909 0.60 42.69 ? 405 PL9 D C22 1 +HETATM 53677 C C23 A PL9 OD 29 . ? 19.458 -42.044 -28.805 0.40 43.86 ? 405 PL9 D C23 1 +HETATM 53678 C C23 B PL9 OD 29 . ? 19.452 -42.007 -28.832 0.60 43.87 ? 405 PL9 D C23 1 +HETATM 53679 C C24 A PL9 OD 29 . ? 18.193 -42.023 -28.368 0.40 42.63 ? 405 PL9 D C24 1 +HETATM 53680 C C24 B PL9 OD 29 . ? 18.196 -42.017 -28.371 0.60 42.63 ? 405 PL9 D C24 1 +HETATM 53681 C C25 A PL9 OD 29 . ? 17.951 -42.026 -26.895 0.40 38.60 ? 405 PL9 D C25 1 +HETATM 53682 C C25 B PL9 OD 29 . ? 17.958 -42.122 -26.900 0.60 38.57 ? 405 PL9 D C25 1 +HETATM 53683 C C26 A PL9 OD 29 . ? 17.044 -41.858 -29.349 0.40 44.94 ? 405 PL9 D C26 1 +HETATM 53684 C C26 B PL9 OD 29 . ? 17.030 -41.868 -29.331 0.60 45.02 ? 405 PL9 D C26 1 +HETATM 53685 C C27 A PL9 OD 29 . ? 16.421 -40.468 -29.198 0.40 45.11 ? 405 PL9 D C27 1 +HETATM 53686 C C27 B PL9 OD 29 . ? 16.425 -40.470 -29.187 0.60 45.17 ? 405 PL9 D C27 1 +HETATM 53687 C C28 A PL9 OD 29 . ? 17.354 -39.395 -29.727 0.40 45.28 ? 405 PL9 D C28 1 +HETATM 53688 C C28 B PL9 OD 29 . ? 17.407 -39.427 -29.670 0.60 45.32 ? 405 PL9 D C28 1 +HETATM 53689 C C29 A PL9 OD 29 . ? 17.590 -38.267 -29.045 0.40 51.86 ? 405 PL9 D C29 1 +HETATM 53690 C C29 B PL9 OD 29 . ? 17.580 -38.284 -28.980 0.60 51.91 ? 405 PL9 D C29 1 +HETATM 53691 C C30 A PL9 OD 29 . ? 16.989 -38.071 -27.686 0.40 45.19 ? 405 PL9 D C30 1 +HETATM 53692 C C30 B PL9 OD 29 . ? 16.897 -38.094 -27.659 0.60 45.20 ? 405 PL9 D C30 1 +HETATM 53693 C C31 A PL9 OD 29 . ? 18.427 -37.150 -29.641 0.40 48.50 ? 405 PL9 D C31 1 +HETATM 53694 C C31 B PL9 OD 29 . ? 18.539 -37.222 -29.468 0.60 48.47 ? 405 PL9 D C31 1 +HETATM 53695 C C32 A PL9 OD 29 . ? 19.157 -37.600 -30.911 0.40 51.63 ? 405 PL9 D C32 1 +HETATM 53696 C C32 B PL9 OD 29 . ? 19.091 -37.542 -30.860 0.60 51.82 ? 405 PL9 D C32 1 +HETATM 53697 C C33 A PL9 OD 29 . ? 19.960 -36.412 -31.406 0.40 51.09 ? 405 PL9 D C33 1 +HETATM 53698 C C33 B PL9 OD 29 . ? 19.879 -36.325 -31.312 0.60 51.27 ? 405 PL9 D C33 1 +HETATM 53699 C C34 A PL9 OD 29 . ? 20.139 -36.093 -32.700 0.40 53.55 ? 405 PL9 D C34 1 +HETATM 53700 C C34 B PL9 OD 29 . ? 20.090 -36.025 -32.602 0.60 53.61 ? 405 PL9 D C34 1 +HETATM 53701 C C35 A PL9 OD 29 . ? 19.371 -36.772 -33.801 0.40 47.23 ? 405 PL9 D C35 1 +HETATM 53702 C C35 B PL9 OD 29 . ? 19.370 -36.779 -33.683 0.60 47.39 ? 405 PL9 D C35 1 +HETATM 53703 C C36 A PL9 OD 29 . ? 20.745 -34.754 -33.034 0.40 53.44 ? 405 PL9 D C36 1 +HETATM 53704 C C36 B PL9 OD 29 . ? 20.684 -34.682 -32.959 0.60 53.48 ? 405 PL9 D C36 1 +HETATM 53705 C C37 A PL9 OD 29 . ? 22.259 -34.759 -33.037 0.40 53.18 ? 405 PL9 D C37 1 +HETATM 53706 C C37 B PL9 OD 29 . ? 22.201 -34.694 -33.034 0.60 53.12 ? 405 PL9 D C37 1 +HETATM 53707 C C38 A PL9 OD 29 . ? 22.643 -33.360 -33.471 0.40 64.25 ? 405 PL9 D C38 1 +HETATM 53708 C C38 B PL9 OD 29 . ? 22.616 -33.297 -33.433 0.60 64.47 ? 405 PL9 D C38 1 +HETATM 53709 C C39 A PL9 OD 29 . ? 23.909 -32.943 -33.419 0.40 59.43 ? 405 PL9 D C39 1 +HETATM 53710 C C39 B PL9 OD 29 . ? 23.897 -32.922 -33.411 0.60 59.45 ? 405 PL9 D C39 1 +HETATM 53711 C C40 A PL9 OD 29 . ? 24.986 -33.889 -32.966 0.40 72.29 ? 405 PL9 D C40 1 +HETATM 53712 C C40 B PL9 OD 29 . ? 24.967 -33.890 -32.995 0.60 72.61 ? 405 PL9 D C40 1 +HETATM 53713 C C41 A PL9 OD 29 . ? 24.277 -31.561 -33.881 0.40 47.94 ? 405 PL9 D C41 1 +HETATM 53714 C C41 B PL9 OD 29 . ? 24.273 -31.516 -33.769 0.60 47.85 ? 405 PL9 D C41 1 +HETATM 53715 C C42 A PL9 OD 29 . ? 25.502 -31.777 -34.746 0.40 56.61 ? 405 PL9 D C42 1 +HETATM 53716 C C42 B PL9 OD 29 . ? 25.370 -31.636 -34.807 0.60 57.23 ? 405 PL9 D C42 1 +HETATM 53717 C C43 A PL9 OD 29 . ? 26.544 -30.689 -34.647 0.40 57.58 ? 405 PL9 D C43 1 +HETATM 53718 C C43 B PL9 OD 29 . ? 26.508 -30.671 -34.566 0.60 57.59 ? 405 PL9 D C43 1 +HETATM 53719 C C44 A PL9 OD 29 . ? 27.133 -30.242 -35.764 0.40 55.54 ? 405 PL9 D C44 1 +HETATM 53720 C C44 B PL9 OD 29 . ? 27.174 -30.213 -35.637 0.60 55.67 ? 405 PL9 D C44 1 +HETATM 53721 C C45 A PL9 OD 29 . ? 26.542 -30.567 -37.109 0.40 47.17 ? 405 PL9 D C45 1 +HETATM 53722 C C45 B PL9 OD 29 . ? 26.654 -30.525 -37.008 0.60 47.22 ? 405 PL9 D C45 1 +HETATM 53723 C C46 A PL9 OD 29 . ? 28.340 -29.338 -35.687 0.40 53.53 ? 405 PL9 D C46 1 +HETATM 53724 C C46 B PL9 OD 29 . ? 28.445 -29.413 -35.480 0.60 53.59 ? 405 PL9 D C46 1 +HETATM 53725 C C47 A PL9 OD 29 . ? 28.114 -28.178 -34.730 0.40 57.43 ? 405 PL9 D C47 1 +HETATM 53726 C C47 B PL9 OD 29 . ? 28.181 -28.118 -34.727 0.60 57.50 ? 405 PL9 D C47 1 +HETATM 53727 C C48 A PL9 OD 29 . ? 29.381 -27.367 -34.702 0.40 52.84 ? 405 PL9 D C48 1 +HETATM 53728 C C48 B PL9 OD 29 . ? 29.466 -27.329 -34.664 0.60 52.82 ? 405 PL9 D C48 1 +HETATM 53729 C C49 A PL9 OD 29 . ? 29.404 -26.110 -34.277 0.40 51.14 ? 405 PL9 D C49 1 +HETATM 53730 C C49 B PL9 OD 29 . ? 29.460 -26.056 -34.258 0.60 51.15 ? 405 PL9 D C49 1 +HETATM 53731 C C50 A PL9 OD 29 . ? 30.714 -25.391 -34.326 0.40 54.79 ? 405 PL9 D C50 1 +HETATM 53732 C C50 B PL9 OD 29 . ? 30.753 -25.311 -34.202 0.60 55.08 ? 405 PL9 D C50 1 +HETATM 53733 C C51 A PL9 OD 29 . ? 28.143 -25.419 -33.824 0.40 51.72 ? 405 PL9 D C51 1 +HETATM 53734 C C51 B PL9 OD 29 . ? 28.175 -25.395 -33.850 0.60 51.81 ? 405 PL9 D C51 1 +HETATM 53735 C C52 A PL9 OD 29 . ? 32.228 -51.469 -19.442 0.40 51.34 ? 405 PL9 D C52 1 +HETATM 53736 C C52 B PL9 OD 29 . ? 32.196 -51.693 -19.352 0.60 51.35 ? 405 PL9 D C52 1 +HETATM 53737 C C53 A PL9 OD 29 . ? 30.852 -53.941 -20.472 0.40 46.46 ? 405 PL9 D C53 1 +HETATM 53738 C C53 B PL9 OD 29 . ? 30.806 -54.079 -20.494 0.60 46.18 ? 405 PL9 D C53 1 +HETATM 53739 O O1 A PL9 OD 29 . ? 32.246 -49.293 -21.274 0.40 57.95 ? 405 PL9 D O1 1 +HETATM 53740 O O1 B PL9 OD 29 . ? 32.233 -49.386 -21.097 0.60 58.39 ? 405 PL9 D O1 1 +HETATM 53741 O O2 A PL9 OD 29 . ? 29.937 -53.712 -23.180 0.40 52.55 ? 405 PL9 D O2 1 +HETATM 53742 O O2 B PL9 OD 29 . ? 29.916 -53.745 -23.225 0.60 52.79 ? 405 PL9 D O2 1 +HETATM 53743 O O1 A LHG PD 32 . ? 22.762 -44.157 -12.090 0.40 74.48 ? 406 LHG D O1 1 +HETATM 53744 O O1 B LHG PD 32 . ? 22.614 -44.405 -12.089 0.60 76.99 ? 406 LHG D O1 1 +HETATM 53745 C C1 A LHG PD 32 . ? 23.425 -44.721 -13.244 0.40 70.20 ? 406 LHG D C1 1 +HETATM 53746 C C1 B LHG PD 32 . ? 23.293 -45.010 -13.206 0.60 71.63 ? 406 LHG D C1 1 +HETATM 53747 C C2 A LHG PD 32 . ? 24.753 -45.256 -12.728 0.40 69.27 ? 406 LHG D C2 1 +HETATM 53748 C C2 B LHG PD 32 . ? 24.707 -45.338 -12.752 0.60 69.28 ? 406 LHG D C2 1 +HETATM 53749 O O2 A LHG PD 32 . ? 25.535 -44.127 -12.323 0.40 80.13 ? 406 LHG D O2 1 +HETATM 53750 O O2 B LHG PD 32 . ? 25.390 -44.106 -12.497 0.60 80.36 ? 406 LHG D O2 1 +HETATM 53751 C C3 A LHG PD 32 . ? 25.500 -46.041 -13.791 0.40 62.93 ? 406 LHG D C3 1 +HETATM 53752 C C3 B LHG PD 32 . ? 25.435 -46.111 -13.836 0.60 63.19 ? 406 LHG D C3 1 +HETATM 53753 O O3 A LHG PD 32 . ? 26.532 -45.264 -14.383 0.40 52.43 ? 406 LHG D O3 1 +HETATM 53754 O O3 B LHG PD 32 . ? 26.405 -45.299 -14.482 0.60 52.54 ? 406 LHG D O3 1 +HETATM 53755 P P A LHG PD 32 . ? 27.736 -45.951 -15.221 0.40 50.34 ? 406 LHG D P 1 +HETATM 53756 P P B LHG PD 32 . ? 27.666 -45.946 -15.264 0.60 49.89 ? 406 LHG D P 1 +HETATM 53757 O O4 A LHG PD 32 . ? 29.010 -45.657 -14.459 0.40 57.31 ? 406 LHG D O4 1 +HETATM 53758 O O4 B LHG PD 32 . ? 28.888 -45.558 -14.464 0.60 57.52 ? 406 LHG D O4 1 +HETATM 53759 O O5 A LHG PD 32 . ? 27.360 -47.334 -15.623 0.40 46.64 ? 406 LHG D O5 1 +HETATM 53760 O O5 B LHG PD 32 . ? 27.417 -47.390 -15.624 0.60 46.55 ? 406 LHG D O5 1 +HETATM 53761 O O6 A LHG PD 32 . ? 27.745 -45.070 -16.558 0.40 54.96 ? 406 LHG D O6 1 +HETATM 53762 O O6 B LHG PD 32 . ? 27.643 -45.101 -16.621 0.60 55.17 ? 406 LHG D O6 1 +HETATM 53763 C C4 A LHG PD 32 . ? 28.647 -43.996 -16.755 0.40 55.75 ? 406 LHG D C4 1 +HETATM 53764 C C4 B LHG PD 32 . ? 28.616 -44.101 -16.877 0.60 55.80 ? 406 LHG D C4 1 +HETATM 53765 C C5 A LHG PD 32 . ? 27.982 -43.096 -17.795 0.40 51.75 ? 406 LHG D C5 1 +HETATM 53766 C C5 B LHG PD 32 . ? 27.986 -43.157 -17.887 0.60 51.53 ? 406 LHG D C5 1 +HETATM 53767 C C6 A LHG PD 32 . ? 28.604 -41.704 -17.756 0.40 55.85 ? 406 LHG D C6 1 +HETATM 53768 C C6 B LHG PD 32 . ? 28.676 -41.805 -17.807 0.60 55.90 ? 406 LHG D C6 1 +HETATM 53769 O O7 A LHG PD 32 . ? 28.251 -43.665 -19.061 0.40 58.19 ? 406 LHG D O7 1 +HETATM 53770 O O7 B LHG PD 32 . ? 28.217 -43.689 -19.180 0.60 58.54 ? 406 LHG D O7 1 +HETATM 53771 C C7 A LHG PD 32 . ? 27.085 -44.134 -19.764 0.40 51.83 ? 406 LHG D C7 1 +HETATM 53772 C C7 B LHG PD 32 . ? 27.037 -44.205 -19.838 0.60 51.75 ? 406 LHG D C7 1 +HETATM 53773 O O9 A LHG PD 32 . ? 25.999 -44.064 -19.221 0.40 50.33 ? 406 LHG D O9 1 +HETATM 53774 O O9 B LHG PD 32 . ? 25.949 -44.146 -19.293 0.60 50.50 ? 406 LHG D O9 1 +HETATM 53775 C C8 A LHG PD 32 . ? 27.294 -44.681 -21.155 0.40 50.89 ? 406 LHG D C8 1 +HETATM 53776 C C8 B LHG PD 32 . ? 27.209 -44.777 -21.216 0.60 51.16 ? 406 LHG D C8 1 +HETATM 53777 C C9 A LHG PD 32 . ? 26.339 -44.077 -22.166 0.40 51.35 ? 406 LHG D C9 1 +HETATM 53778 C C9 B LHG PD 32 . ? 26.251 -44.111 -22.190 0.60 51.37 ? 406 LHG D C9 1 +HETATM 53779 C C10 A LHG PD 32 . ? 26.673 -42.623 -22.414 0.40 54.39 ? 406 LHG D C10 1 +HETATM 53780 C C10 B LHG PD 32 . ? 26.630 -42.652 -22.383 0.60 54.41 ? 406 LHG D C10 1 +HETATM 53781 O O8 A LHG PD 32 . ? 27.964 -40.930 -18.774 0.40 54.06 ? 406 LHG D O8 1 +HETATM 53782 O O8 B LHG PD 32 . ? 28.018 -41.005 -18.775 0.60 54.20 ? 406 LHG D O8 1 +HETATM 53783 C C23 A LHG PD 32 . ? 28.222 -39.523 -18.839 0.40 56.98 ? 406 LHG D C23 1 +HETATM 53784 C C23 B LHG PD 32 . ? 28.254 -39.592 -18.835 0.60 57.01 ? 406 LHG D C23 1 +HETATM 53785 O O10 A LHG PD 32 . ? 29.126 -39.108 -18.132 0.40 58.79 ? 406 LHG D O10 1 +HETATM 53786 O O10 B LHG PD 32 . ? 29.115 -39.135 -18.102 0.60 58.87 ? 406 LHG D O10 1 +HETATM 53787 C C24 A LHG PD 32 . ? 27.388 -38.637 -19.748 0.40 54.91 ? 406 LHG D C24 1 +HETATM 53788 C C24 B LHG PD 32 . ? 27.437 -38.747 -19.788 0.60 55.03 ? 406 LHG D C24 1 +HETATM 53789 C C11 A LHG PD 32 . ? 26.255 -42.214 -23.814 0.40 57.70 ? 406 LHG D C11 1 +HETATM 53790 C C11 B LHG PD 32 . ? 26.232 -42.189 -23.773 0.60 57.73 ? 406 LHG D C11 1 +HETATM 53791 C C12 A LHG PD 32 . ? 26.950 -40.912 -24.199 0.40 60.67 ? 406 LHG D C12 1 +HETATM 53792 C C12 B LHG PD 32 . ? 27.016 -40.939 -24.152 0.60 60.78 ? 406 LHG D C12 1 +HETATM 53793 C C13 A LHG PD 32 . ? 27.338 -40.976 -25.668 0.40 61.21 ? 406 LHG D C13 1 +HETATM 53794 C C13 B LHG PD 32 . ? 27.423 -41.000 -25.613 0.60 61.33 ? 406 LHG D C13 1 +HETATM 53795 C C14 A LHG PD 32 . ? 28.301 -39.853 -26.008 0.40 61.09 ? 406 LHG D C14 1 +HETATM 53796 C C14 B LHG PD 32 . ? 28.248 -39.778 -25.967 0.60 61.19 ? 406 LHG D C14 1 +HETATM 53797 C C15 A LHG PD 32 . ? 27.957 -39.283 -27.373 0.40 59.35 ? 406 LHG D C15 1 +HETATM 53798 C C15 B LHG PD 32 . ? 27.837 -39.259 -27.332 0.60 59.33 ? 406 LHG D C15 1 +HETATM 53799 C C16 A LHG PD 32 . ? 27.939 -37.766 -27.294 0.40 56.42 ? 406 LHG D C16 1 +HETATM 53800 C C16 B LHG PD 32 . ? 27.914 -37.742 -27.354 0.60 56.37 ? 406 LHG D C16 1 +HETATM 53801 C C17 A LHG PD 32 . ? 27.208 -37.197 -28.500 0.40 59.30 ? 406 LHG D C17 1 +HETATM 53802 C C17 B LHG PD 32 . ? 27.268 -37.225 -28.625 0.60 59.56 ? 406 LHG D C17 1 +HETATM 53803 C C18 A LHG PD 32 . ? 27.049 -35.692 -28.365 0.40 52.50 ? 406 LHG D C18 1 +HETATM 53804 C C18 B LHG PD 32 . ? 26.948 -35.748 -28.494 0.60 52.07 ? 406 LHG D C18 1 +HETATM 53805 C C19 A LHG PD 32 . ? 27.705 -35.012 -29.546 0.40 56.74 ? 406 LHG D C19 1 +HETATM 53806 C C19 B LHG PD 32 . ? 27.837 -34.939 -29.426 0.60 56.71 ? 406 LHG D C19 1 +HETATM 53807 C C20 A LHG PD 32 . ? 27.148 -33.609 -29.726 0.40 57.37 ? 406 LHG D C20 1 +HETATM 53808 C C20 B LHG PD 32 . ? 27.254 -33.557 -29.657 0.60 57.48 ? 406 LHG D C20 1 +HETATM 53809 C C21 A LHG PD 32 . ? 28.001 -32.813 -30.695 0.40 58.11 ? 406 LHG D C21 1 +HETATM 53810 C C21 B LHG PD 32 . ? 28.127 -32.777 -30.634 0.60 58.10 ? 406 LHG D C21 1 +HETATM 53811 C C22 A LHG PD 32 . ? 27.564 -31.363 -30.720 0.40 61.62 ? 406 LHG D C22 1 +HETATM 53812 C C22 B LHG PD 32 . ? 27.719 -31.320 -30.657 0.60 61.69 ? 406 LHG D C22 1 +HETATM 53813 C C25 A LHG PD 32 . ? 28.252 -37.622 -20.494 0.40 50.25 ? 406 LHG D C25 1 +HETATM 53814 C C25 B LHG PD 32 . ? 28.291 -37.701 -20.503 0.60 50.15 ? 406 LHG D C25 1 +HETATM 53815 C C26 A LHG PD 32 . ? 29.296 -38.263 -21.396 0.40 52.41 ? 406 LHG D C26 1 +HETATM 53816 C C26 B LHG PD 32 . ? 29.348 -38.314 -21.406 0.60 52.48 ? 406 LHG D C26 1 +HETATM 53817 C C27 A LHG PD 32 . ? 30.119 -37.177 -22.085 0.40 56.14 ? 406 LHG D C27 1 +HETATM 53818 C C27 B LHG PD 32 . ? 30.113 -37.226 -22.153 0.60 56.31 ? 406 LHG D C27 1 +HETATM 53819 C C28 A LHG PD 32 . ? 31.407 -37.721 -22.702 0.40 52.08 ? 406 LHG D C28 1 +HETATM 53820 C C28 B LHG PD 32 . ? 31.421 -37.741 -22.752 0.60 51.95 ? 406 LHG D C28 1 +HETATM 53821 C C29 A LHG PD 32 . ? 31.164 -38.345 -24.064 0.40 57.17 ? 406 LHG D C29 1 +HETATM 53822 C C29 B LHG PD 32 . ? 31.208 -38.377 -24.111 0.60 57.28 ? 406 LHG D C29 1 +HETATM 53823 C C30 A LHG PD 32 . ? 32.482 -38.763 -24.713 0.40 64.54 ? 406 LHG D C30 1 +HETATM 53824 C C30 B LHG PD 32 . ? 32.513 -38.902 -24.702 0.60 64.51 ? 406 LHG D C30 1 +HETATM 53825 C C31 A LHG PD 32 . ? 33.305 -37.644 -25.377 0.40 61.44 ? 406 LHG D C31 1 +HETATM 53826 C C31 B LHG PD 32 . ? 33.385 -37.822 -25.343 0.60 62.33 ? 406 LHG D C31 1 +HETATM 53827 C C32 A LHG PD 32 . ? 34.667 -38.271 -25.709 0.40 68.36 ? 406 LHG D C32 1 +HETATM 53828 C C32 B LHG PD 32 . ? 34.751 -38.428 -25.675 0.60 68.58 ? 406 LHG D C32 1 +HETATM 53829 C C33 A LHG PD 32 . ? 35.534 -37.451 -26.652 0.40 73.71 ? 406 LHG D C33 1 +HETATM 53830 C C33 B LHG PD 32 . ? 35.566 -37.538 -26.602 0.60 73.86 ? 406 LHG D C33 1 +HETATM 53831 C C34 A LHG PD 32 . ? 36.999 -37.891 -26.639 0.40 63.76 ? 406 LHG D C34 1 +HETATM 53832 C C34 B LHG PD 32 . ? 37.034 -37.958 -26.638 0.60 63.60 ? 406 LHG D C34 1 +HETATM 53833 C C35 A LHG PD 32 . ? 37.182 -39.339 -27.059 0.40 65.52 ? 406 LHG D C35 1 +HETATM 53834 C C35 B LHG PD 32 . ? 37.204 -39.360 -27.202 0.60 65.50 ? 406 LHG D C35 1 +HETATM 53835 C C36 A LHG PD 32 . ? 38.593 -39.576 -27.588 0.40 65.81 ? 406 LHG D C36 1 +HETATM 53836 C C36 B LHG PD 32 . ? 38.640 -39.590 -27.663 0.60 65.80 ? 406 LHG D C36 1 +HETATM 53837 C C37 A LHG PD 32 . ? 39.635 -38.980 -26.652 0.40 65.02 ? 406 LHG D C37 1 +HETATM 53838 C C37 B LHG PD 32 . ? 39.634 -39.157 -26.593 0.60 64.89 ? 406 LHG D C37 1 +HETATM 53839 C C38 A LHG PD 32 . ? 40.980 -39.650 -26.842 0.40 64.16 ? 406 LHG D C38 1 +HETATM 53840 C C38 B LHG PD 32 . ? 41.046 -39.522 -26.994 0.60 64.77 ? 406 LHG D C38 1 +HETATM 53841 O O1 A LHG QD 32 . ? 39.068 -70.551 -31.986 0.40 59.53 ? 407 LHG D O1 1 +HETATM 53842 O O1 B LHG QD 32 . ? 39.251 -70.500 -31.978 0.60 59.54 ? 407 LHG D O1 1 +HETATM 53843 C C1 A LHG QD 32 . ? 39.620 -69.745 -33.039 0.40 58.90 ? 407 LHG D C1 1 +HETATM 53844 C C1 B LHG QD 32 . ? 39.737 -69.695 -33.058 0.60 58.90 ? 407 LHG D C1 1 +HETATM 53845 C C2 A LHG QD 32 . ? 39.647 -68.242 -32.696 0.40 58.26 ? 407 LHG D C2 1 +HETATM 53846 C C2 B LHG QD 32 . ? 39.719 -68.194 -32.731 0.60 58.30 ? 407 LHG D C2 1 +HETATM 53847 O O2 A LHG QD 32 . ? 40.388 -67.995 -31.500 0.40 57.43 ? 407 LHG D O2 1 +HETATM 53848 O O2 B LHG QD 32 . ? 40.437 -67.928 -31.525 0.60 57.52 ? 407 LHG D O2 1 +HETATM 53849 C C3 A LHG QD 32 . ? 38.258 -67.630 -32.525 0.40 53.36 ? 407 LHG D C3 1 +HETATM 53850 C C3 B LHG QD 32 . ? 38.307 -67.632 -32.571 0.60 53.31 ? 407 LHG D C3 1 +HETATM 53851 O O3 A LHG QD 32 . ? 37.541 -68.255 -31.460 0.40 57.43 ? 407 LHG D O3 1 +HETATM 53852 O O3 B LHG QD 32 . ? 37.607 -68.270 -31.502 0.60 57.56 ? 407 LHG D O3 1 +HETATM 53853 P P A LHG QD 32 . ? 37.490 -67.598 -29.992 0.40 56.22 ? 407 LHG D P 1 +HETATM 53854 P P B LHG QD 32 . ? 37.503 -67.592 -30.043 0.60 56.27 ? 407 LHG D P 1 +HETATM 53855 O O4 A LHG QD 32 . ? 36.628 -68.435 -29.087 0.40 59.53 ? 407 LHG D O4 1 +HETATM 53856 O O4 B LHG QD 32 . ? 36.660 -68.455 -29.142 0.60 59.62 ? 407 LHG D O4 1 +HETATM 53857 O O5 A LHG QD 32 . ? 38.892 -67.202 -29.626 0.40 54.94 ? 407 LHG D O5 1 +HETATM 53858 O O5 B LHG QD 32 . ? 38.881 -67.138 -29.636 0.60 54.88 ? 407 LHG D O5 1 +HETATM 53859 O O6 A LHG QD 32 . ? 36.612 -66.277 -30.280 0.40 56.98 ? 407 LHG D O6 1 +HETATM 53860 O O6 B LHG QD 32 . ? 36.614 -66.291 -30.361 0.60 57.17 ? 407 LHG D O6 1 +HETATM 53861 C C4 A LHG QD 32 . ? 35.185 -66.344 -30.324 0.40 54.37 ? 407 LHG D C4 1 +HETATM 53862 C C4 B LHG QD 32 . ? 35.189 -66.328 -30.335 0.60 54.35 ? 407 LHG D C4 1 +HETATM 53863 C C5 A LHG QD 32 . ? 34.693 -65.250 -31.281 0.40 60.73 ? 407 LHG D C5 1 +HETATM 53864 C C5 B LHG QD 32 . ? 34.710 -65.262 -31.319 0.60 60.93 ? 407 LHG D C5 1 +HETATM 53865 C C6 A LHG QD 32 . ? 35.184 -63.877 -30.822 0.40 52.06 ? 407 LHG D C6 1 +HETATM 53866 C C6 B LHG QD 32 . ? 35.199 -63.902 -30.846 0.60 51.99 ? 407 LHG D C6 1 +HETATM 53867 O O7 A LHG QD 32 . ? 35.222 -65.430 -32.597 0.40 55.11 ? 407 LHG D O7 1 +HETATM 53868 O O7 B LHG QD 32 . ? 35.299 -65.465 -32.600 0.60 55.27 ? 407 LHG D O7 1 +HETATM 53869 C C7 A LHG QD 32 . ? 34.477 -66.357 -33.428 0.40 52.60 ? 407 LHG D C7 1 +HETATM 53870 C C7 B LHG QD 32 . ? 34.544 -66.329 -33.480 0.60 52.47 ? 407 LHG D C7 1 +HETATM 53871 O O9 A LHG QD 32 . ? 33.432 -66.850 -33.038 0.40 55.64 ? 407 LHG D O9 1 +HETATM 53872 O O9 B LHG QD 32 . ? 33.488 -66.810 -33.104 0.60 55.80 ? 407 LHG D O9 1 +HETATM 53873 C C8 A LHG QD 32 . ? 35.043 -66.687 -34.775 0.40 49.40 ? 407 LHG D C8 1 +HETATM 53874 C C8 B LHG QD 32 . ? 35.104 -66.616 -34.844 0.60 49.27 ? 407 LHG D C8 1 +HETATM 53875 C C9 A LHG QD 32 . ? 33.964 -67.316 -35.636 0.40 58.03 ? 407 LHG D C9 1 +HETATM 53876 C C9 B LHG QD 32 . ? 34.093 -67.428 -35.634 0.60 57.68 ? 407 LHG D C9 1 +HETATM 53877 C C10 A LHG QD 32 . ? 34.581 -67.710 -36.963 0.40 62.88 ? 407 LHG D C10 1 +HETATM 53878 C C10 B LHG QD 32 . ? 34.621 -67.735 -37.024 0.60 62.84 ? 407 LHG D C10 1 +HETATM 53879 O O8 A LHG QD 32 . ? 34.753 -62.927 -31.792 0.40 51.00 ? 407 LHG D O8 1 +HETATM 53880 O O8 B LHG QD 32 . ? 34.839 -62.948 -31.830 0.60 50.99 ? 407 LHG D O8 1 +HETATM 53881 C C23 A LHG QD 32 . ? 34.757 -61.538 -31.401 0.40 61.17 ? 407 LHG D C23 1 +HETATM 53882 C C23 B LHG QD 32 . ? 34.883 -61.545 -31.471 0.60 61.50 ? 407 LHG D C23 1 +HETATM 53883 O O10 A LHG QD 32 . ? 35.575 -61.218 -30.552 0.40 54.34 ? 407 LHG D O10 1 +HETATM 53884 O O10 B LHG QD 32 . ? 35.755 -61.197 -30.687 0.60 54.76 ? 407 LHG D O10 1 +HETATM 53885 C C24 A LHG QD 32 . ? 33.799 -60.538 -32.030 0.40 56.87 ? 407 LHG D C24 1 +HETATM 53886 C C24 B LHG QD 32 . ? 33.886 -60.560 -32.061 0.60 56.96 ? 407 LHG D C24 1 +HETATM 53887 C C11 A LHG QD 32 . ? 33.565 -68.475 -37.801 0.40 78.88 ? 407 LHG D C11 1 +HETATM 53888 C C11 B LHG QD 32 . ? 33.563 -68.481 -37.826 0.60 78.91 ? 407 LHG D C11 1 +HETATM 53889 C C12 A LHG QD 32 . ? 32.386 -67.570 -38.131 0.40 93.00 ? 407 LHG D C12 1 +HETATM 53890 C C12 B LHG QD 32 . ? 32.400 -67.552 -38.145 0.60 93.11 ? 407 LHG D C12 1 +HETATM 53891 C C13 A LHG QD 32 . ? 31.832 -67.850 -39.526 0.40 108.21 ? 407 LHG D C13 1 +HETATM 53892 C C13 B LHG QD 32 . ? 31.818 -67.847 -39.525 0.60 108.43 ? 407 LHG D C13 1 +HETATM 53893 C C14 A LHG QD 32 . ? 30.678 -66.900 -39.827 0.40 113.22 ? 407 LHG D C14 1 +HETATM 53894 C C14 B LHG QD 32 . ? 30.678 -66.882 -39.835 0.60 113.44 ? 407 LHG D C14 1 +HETATM 53895 C C15 A LHG QD 32 . ? 30.221 -67.000 -41.277 0.40 104.94 ? 407 LHG D C15 1 +HETATM 53896 C C15 B LHG QD 32 . ? 30.201 -67.006 -41.278 0.60 104.91 ? 407 LHG D C15 1 +HETATM 53897 C C16 A LHG QD 32 . ? 28.702 -66.878 -41.343 0.40 112.51 ? 407 LHG D C16 1 +HETATM 53898 C C16 B LHG QD 32 . ? 28.682 -66.884 -41.332 0.60 112.60 ? 407 LHG D C16 1 +HETATM 53899 C C17 A LHG QD 32 . ? 28.220 -66.618 -42.767 0.40 110.19 ? 407 LHG D C17 1 +HETATM 53900 C C17 B LHG QD 32 . ? 28.184 -66.635 -42.752 0.60 110.23 ? 407 LHG D C17 1 +HETATM 53901 C C18 A LHG QD 32 . ? 27.928 -65.137 -42.973 0.40 98.60 ? 407 LHG D C18 1 +HETATM 53902 C C18 B LHG QD 32 . ? 28.009 -65.144 -43.011 0.60 98.55 ? 407 LHG D C18 1 +HETATM 53903 C C19 A LHG QD 32 . ? 27.466 -64.874 -44.403 0.40 104.25 ? 407 LHG D C19 1 +HETATM 53904 C C19 B LHG QD 32 . ? 27.465 -64.897 -44.414 0.60 104.30 ? 407 LHG D C19 1 +HETATM 53905 C C20 A LHG QD 32 . ? 26.274 -63.927 -44.408 0.40 103.75 ? 407 LHG D C20 1 +HETATM 53906 C C20 B LHG QD 32 . ? 26.349 -63.860 -44.381 0.60 103.90 ? 407 LHG D C20 1 +HETATM 53907 C C21 A LHG QD 32 . ? 25.818 -63.624 -45.828 0.40 102.86 ? 407 LHG D C21 1 +HETATM 53908 C C21 B LHG QD 32 . ? 25.831 -63.556 -45.781 0.60 102.93 ? 407 LHG D C21 1 +HETATM 53909 C C22 A LHG QD 32 . ? 24.600 -62.726 -45.816 0.40 101.64 ? 407 LHG D C22 1 +HETATM 53910 C C22 B LHG QD 32 . ? 24.644 -62.619 -45.713 0.60 101.79 ? 407 LHG D C22 1 +HETATM 53911 C C25 A LHG QD 32 . ? 34.574 -59.543 -32.887 0.40 59.33 ? 407 LHG D C25 1 +HETATM 53912 C C25 B LHG QD 32 . ? 34.607 -59.519 -32.914 0.60 59.43 ? 407 LHG D C25 1 +HETATM 53913 C C26 A LHG QD 32 . ? 33.693 -58.535 -33.642 0.40 61.54 ? 407 LHG D C26 1 +HETATM 53914 C C26 B LHG QD 32 . ? 33.658 -58.561 -33.645 0.60 61.78 ? 407 LHG D C26 1 +HETATM 53915 C C27 A LHG QD 32 . ? 32.771 -59.166 -34.690 0.40 51.48 ? 407 LHG D C27 1 +HETATM 53916 C C27 B LHG QD 32 . ? 32.749 -59.266 -34.657 0.60 51.45 ? 407 LHG D C27 1 +HETATM 53917 C C28 A LHG QD 32 . ? 33.533 -59.673 -35.911 0.40 63.38 ? 407 LHG D C28 1 +HETATM 53918 C C28 B LHG QD 32 . ? 33.506 -59.667 -35.918 0.60 63.45 ? 407 LHG D C28 1 +HETATM 53919 C C29 A LHG QD 32 . ? 32.736 -60.710 -36.710 0.40 65.35 ? 407 LHG D C29 1 +HETATM 53920 C C29 B LHG QD 32 . ? 32.762 -60.732 -36.729 0.60 65.39 ? 407 LHG D C29 1 +HETATM 53921 C C30 A LHG QD 32 . ? 33.702 -61.664 -37.411 0.40 69.64 ? 407 LHG D C30 1 +HETATM 53922 C C30 B LHG QD 32 . ? 33.768 -61.670 -37.388 0.60 69.64 ? 407 LHG D C30 1 +HETATM 53923 C C31 A LHG QD 32 . ? 33.072 -63.019 -37.682 0.40 74.92 ? 407 LHG D C31 1 +HETATM 53924 C C31 B LHG QD 32 . ? 33.168 -63.038 -37.687 0.60 74.81 ? 407 LHG D C31 1 +HETATM 53925 C C32 A LHG QD 32 . ? 32.552 -63.064 -39.111 0.40 92.71 ? 407 LHG D C32 1 +HETATM 53926 C C32 B LHG QD 32 . ? 32.578 -63.056 -39.087 0.60 92.81 ? 407 LHG D C32 1 +HETATM 53927 C C33 A LHG QD 32 . ? 33.683 -62.794 -40.104 0.40 93.46 ? 407 LHG D C33 1 +HETATM 53928 C C33 B LHG QD 32 . ? 33.660 -62.744 -40.117 0.60 93.54 ? 407 LHG D C33 1 +HETATM 53929 C C34 A LHG QD 32 . ? 33.256 -63.016 -41.558 0.40 93.01 ? 407 LHG D C34 1 +HETATM 53930 C C34 B LHG QD 32 . ? 33.195 -63.069 -41.536 0.60 93.00 ? 407 LHG D C34 1 +HETATM 53931 C C35 A LHG QD 32 . ? 33.842 -64.305 -42.145 0.40 113.97 ? 407 LHG D C35 1 +HETATM 53932 C C35 B LHG QD 32 . ? 33.883 -64.312 -42.105 0.60 114.27 ? 407 LHG D C35 1 +HETATM 53933 C C36 A LHG QD 32 . ? 34.028 -65.415 -41.101 0.40 108.58 ? 407 LHG D C36 1 +HETATM 53934 C C36 B LHG QD 32 . ? 34.105 -65.418 -41.068 0.60 108.71 ? 407 LHG D C36 1 +HETATM 53935 C C37 A LHG QD 32 . ? 34.470 -66.740 -41.720 0.40 108.95 ? 407 LHG D C37 1 +HETATM 53936 C C37 B LHG QD 32 . ? 34.478 -66.736 -41.743 0.60 109.14 ? 407 LHG D C37 1 +HETATM 53937 C C38 A LHG QD 32 . ? 35.113 -67.649 -40.689 0.40 97.54 ? 407 LHG D C38 1 +HETATM 53938 C C38 B LHG QD 32 . ? 35.113 -67.706 -40.769 0.60 97.56 ? 407 LHG D C38 1 +HETATM 53939 C C23 . UNL RD 30 . ? -1.595 -61.232 -18.920 1.00 73.28 ? 408 UNL D C23 1 +HETATM 53940 C C24 . UNL RD 30 . ? -2.056 -62.392 -19.770 1.00 68.05 ? 408 UNL D C24 1 +HETATM 53941 C C25 . UNL RD 30 . ? -3.020 -61.835 -20.806 1.00 78.29 ? 408 UNL D C25 1 +HETATM 53942 C C26 . UNL RD 30 . ? -3.691 -62.908 -21.661 1.00 67.96 ? 408 UNL D C26 1 +HETATM 53943 C C27 . UNL RD 30 . ? -4.957 -62.315 -22.283 1.00 66.67 ? 408 UNL D C27 1 +HETATM 53944 C C28 . UNL RD 30 . ? -5.348 -62.979 -23.597 1.00 62.73 ? 408 UNL D C28 1 +HETATM 53945 C C29 . UNL RD 30 . ? -6.693 -62.451 -24.086 1.00 71.50 ? 408 UNL D C29 1 +HETATM 53946 C C30 . UNL RD 30 . ? -7.133 -63.189 -25.347 1.00 70.55 ? 408 UNL D C30 1 +HETATM 53947 C C31 . UNL RD 30 . ? -8.523 -62.760 -25.800 1.00 85.93 ? 408 UNL D C31 1 +HETATM 53948 C C32 . UNL RD 30 . ? -8.982 -63.602 -26.988 1.00 79.94 ? 408 UNL D C32 1 +HETATM 53949 C C33 . UNL RD 30 . ? -10.289 -63.066 -27.575 1.00 93.45 ? 408 UNL D C33 1 +HETATM 53950 C C34 . UNL RD 30 . ? -10.618 -63.731 -28.912 1.00 97.05 ? 408 UNL D C34 1 +HETATM 53951 C C35 . UNL RD 30 . ? -11.405 -62.804 -29.844 1.00 99.26 ? 408 UNL D C35 1 +HETATM 53952 C C36 . UNL RD 30 . ? -12.699 -62.304 -29.192 1.00 122.47 ? 408 UNL D C36 1 +HETATM 53953 C C37 . UNL RD 30 . ? -13.528 -61.416 -30.127 1.00 96.49 ? 408 UNL D C37 1 +HETATM 53954 C C38 . UNL RD 30 . ? -14.907 -61.161 -29.544 1.00 99.35 ? 408 UNL D C38 1 +HETATM 53955 O O10 . UNL RD 30 . ? -1.060 -61.423 -17.834 1.00 88.27 ? 408 UNL D O10 1 +HETATM 53956 C C10 . UNL SD 30 . ? -5.840 -65.118 -17.682 1.00 84.43 ? 409 UNL D C10 1 +HETATM 53957 C C11 . UNL SD 30 . ? -7.291 -64.876 -18.080 1.00 76.35 ? 409 UNL D C11 1 +HETATM 53958 C C12 . UNL SD 30 . ? -7.575 -65.193 -19.545 1.00 68.66 ? 409 UNL D C12 1 +HETATM 53959 C C13 . UNL SD 30 . ? -9.054 -64.943 -19.833 1.00 67.44 ? 409 UNL D C13 1 +HETATM 53960 C C14 . UNL SD 30 . ? -9.411 -65.074 -21.301 1.00 68.53 ? 409 UNL D C14 1 +HETATM 53961 C C15 . UNL SD 30 . ? -10.904 -64.871 -21.544 1.00 79.51 ? 409 UNL D C15 1 +HETATM 53962 C C16 . UNL SD 30 . ? -11.198 -65.013 -23.035 1.00 77.34 ? 409 UNL D C16 1 +HETATM 53963 C C17 . UNL SD 30 . ? -12.686 -64.936 -23.380 1.00 97.65 ? 409 UNL D C17 1 +HETATM 53964 C C18 . UNL SD 30 . ? -12.845 -64.743 -24.891 1.00 115.15 ? 409 UNL D C18 1 +HETATM 53965 C C19 . UNL SD 30 . ? -14.297 -64.733 -25.369 1.00 105.50 ? 409 UNL D C19 1 +HETATM 53966 C C20 . UNL SD 30 . ? -14.758 -66.145 -25.714 1.00 124.37 ? 409 UNL D C20 1 +HETATM 53967 C C21 . UNL SD 30 . ? -16.136 -66.164 -26.372 1.00 130.78 ? 409 UNL D C21 1 +HETATM 53968 C C22 . UNL SD 30 . ? -16.539 -67.580 -26.743 1.00 109.78 ? 409 UNL D C22 1 +HETATM 53969 C C23 . UNL SD 30 . ? -3.516 -62.913 -15.539 1.00 138.85 ? 409 UNL D C23 1 +HETATM 53970 C C24 . UNL SD 30 . ? -4.431 -62.018 -14.721 1.00 104.62 ? 409 UNL D C24 1 +HETATM 53971 C C25 . UNL SD 30 . ? -5.681 -61.618 -15.506 1.00 85.07 ? 409 UNL D C25 1 +HETATM 53972 C C26 . UNL SD 30 . ? -5.386 -60.491 -16.492 1.00 71.99 ? 409 UNL D C26 1 +HETATM 53973 C C27 . UNL SD 30 . ? -6.674 -59.815 -16.944 1.00 83.03 ? 409 UNL D C27 1 +HETATM 53974 C C28 . UNL SD 30 . ? -7.685 -60.829 -17.455 1.00 76.23 ? 409 UNL D C28 1 +HETATM 53975 C C29 . UNL SD 30 . ? -8.684 -60.224 -18.430 1.00 67.46 ? 409 UNL D C29 1 +HETATM 53976 C C30 . UNL SD 30 . ? -8.025 -60.111 -19.791 1.00 74.16 ? 409 UNL D C30 1 +HETATM 53977 C C31 . UNL SD 30 . ? -8.915 -60.562 -20.949 1.00 78.84 ? 409 UNL D C31 1 +HETATM 53978 C C32 . UNL SD 30 . ? -10.363 -60.133 -20.776 1.00 73.11 ? 409 UNL D C32 1 +HETATM 53979 C C33 . UNL SD 30 . ? -10.978 -59.729 -22.119 1.00 72.95 ? 409 UNL D C33 1 +HETATM 53980 C C34 . UNL SD 30 . ? -10.490 -60.588 -23.271 1.00 71.96 ? 409 UNL D C34 1 +HETATM 53981 C C35 . UNL SD 30 . ? -11.250 -60.262 -24.554 1.00 81.48 ? 409 UNL D C35 1 +HETATM 53982 C C36 . UNL SD 30 . ? -12.758 -60.181 -24.326 1.00 92.52 ? 409 UNL D C36 1 +HETATM 53983 C C37 . UNL SD 30 . ? -13.443 -59.682 -25.597 1.00 104.59 ? 409 UNL D C37 1 +HETATM 53984 C C38 . UNL SD 30 . ? -14.956 -59.775 -25.523 1.00 101.73 ? 409 UNL D C38 1 +HETATM 53985 C C4 . UNL SD 30 . ? -1.587 -66.464 -13.241 1.00 134.23 ? 409 UNL D C4 1 +HETATM 53986 C C5 . UNL SD 30 . ? -2.946 -65.894 -13.647 1.00 151.90 ? 409 UNL D C5 1 +HETATM 53987 C C6 . UNL SD 30 . ? -2.925 -64.369 -13.558 1.00 115.17 ? 409 UNL D C6 1 +HETATM 53988 C C7 . UNL SD 30 . ? -4.433 -67.165 -15.053 1.00 128.19 ? 409 UNL D C7 1 +HETATM 53989 C C8 . UNL SD 30 . ? -5.750 -66.729 -15.682 1.00 94.68 ? 409 UNL D C8 1 +HETATM 53990 C C9 . UNL SD 30 . ? -5.615 -66.551 -17.195 1.00 109.45 ? 409 UNL D C9 1 +HETATM 53991 O O10 . UNL SD 30 . ? -3.442 -62.818 -16.761 1.00 139.40 ? 409 UNL D O10 1 +HETATM 53992 O O6 . UNL SD 30 . ? -1.597 -67.889 -13.339 1.00 112.12 ? 409 UNL D O6 1 +HETATM 53993 O O7 . UNL SD 30 . ? -3.279 -66.259 -14.999 1.00 150.51 ? 409 UNL D O7 1 +HETATM 53994 O O8 . UNL SD 30 . ? -2.677 -63.914 -14.888 1.00 138.47 ? 409 UNL D O8 1 +HETATM 53995 O O9 . UNL SD 30 . ? -4.315 -68.288 -14.578 1.00 127.88 ? 409 UNL D O9 1 +HETATM 53996 C C1 . HTG TD 34 . ? -17.925 -69.683 -15.293 1.00 104.18 ? 410 HTG D C1 1 +HETATM 53997 S S1 . HTG TD 34 . ? -17.817 -68.333 -16.436 1.00 120.32 ? 410 HTG D S1 1 +HETATM 53998 C C2 . HTG TD 34 . ? -19.365 -70.121 -15.016 1.00 111.49 ? 410 HTG D C2 1 +HETATM 53999 O O2 . HTG TD 34 . ? -20.133 -69.017 -14.522 1.00 100.90 ? 410 HTG D O2 1 +HETATM 54000 C C3 . HTG TD 34 . ? -19.362 -71.248 -13.979 1.00 130.40 ? 410 HTG D C3 1 +HETATM 54001 O O3 . HTG TD 34 . ? -20.687 -71.756 -13.757 1.00 149.49 ? 410 HTG D O3 1 +HETATM 54002 C C4 . HTG TD 34 . ? -18.441 -72.389 -14.411 1.00 134.24 ? 410 HTG D C4 1 +HETATM 54003 O O4 . HTG TD 34 . ? -18.361 -73.376 -13.359 1.00 114.55 ? 410 HTG D O4 1 +HETATM 54004 C C5 . HTG TD 34 . ? -17.059 -71.818 -14.758 1.00 129.23 ? 410 HTG D C5 1 +HETATM 54005 O O5 . HTG TD 34 . ? -17.178 -70.808 -15.771 1.00 117.08 ? 410 HTG D O5 1 +HETATM 54006 C C6 . HTG TD 34 . ? -16.042 -72.881 -15.188 1.00 96.45 ? 410 HTG D C6 1 +HETATM 54007 O O6 . HTG TD 34 . ? -14.962 -72.916 -14.235 1.00 95.30 ? 410 HTG D O6 1 +HETATM 54008 C "C1'" . HTG TD 34 . ? -16.132 -67.907 -16.765 1.00 84.16 ? 410 HTG D "C1'" 1 +HETATM 54009 C "C2'" . HTG TD 34 . ? -16.069 -66.613 -17.581 1.00 96.62 ? 410 HTG D "C2'" 1 +HETATM 54010 C "C3'" . HTG TD 34 . ? -15.617 -66.880 -19.013 1.00 96.09 ? 410 HTG D "C3'" 1 +HETATM 54011 C "C4'" . HTG TD 34 . ? -16.030 -65.752 -19.951 1.00 97.23 ? 410 HTG D "C4'" 1 +HETATM 54012 C C1 . LMG UD 33 . ? 10.221 -65.077 -60.511 1.00 50.77 ? 411 LMG D C1 1 +HETATM 54013 O O1 . LMG UD 33 . ? 10.976 -65.946 -59.699 1.00 57.96 ? 411 LMG D O1 1 +HETATM 54014 C C2 . LMG UD 33 . ? 11.214 -64.504 -61.506 1.00 58.14 ? 411 LMG D C2 1 +HETATM 54015 O O2 . LMG UD 33 . ? 12.133 -63.700 -60.784 1.00 55.27 ? 411 LMG D O2 1 +HETATM 54016 C C3 . LMG UD 33 . ? 10.522 -63.704 -62.594 1.00 53.55 ? 411 LMG D C3 1 +HETATM 54017 O O3 . LMG UD 33 . ? 11.481 -63.328 -63.597 1.00 51.79 ? 411 LMG D O3 1 +HETATM 54018 C C4 . LMG UD 33 . ? 9.412 -64.584 -63.195 1.00 60.20 ? 411 LMG D C4 1 +HETATM 54019 O O4 . LMG UD 33 . ? 9.999 -65.673 -63.920 1.00 56.42 ? 411 LMG D O4 1 +HETATM 54020 C C5 . LMG UD 33 . ? 8.481 -65.181 -62.133 1.00 52.67 ? 411 LMG D C5 1 +HETATM 54021 O O5 . LMG UD 33 . ? 6.578 -65.580 -63.614 1.00 55.46 ? 411 LMG D O5 1 +HETATM 54022 C C6 . LMG UD 33 . ? 7.494 -66.195 -62.701 1.00 57.44 ? 411 LMG D C6 1 +HETATM 54023 O O6 . LMG UD 33 . ? 9.221 -65.872 -61.139 1.00 51.58 ? 411 LMG D O6 1 +HETATM 54024 C C7 . LMG UD 33 . ? 10.193 -66.474 -58.627 1.00 58.36 ? 411 LMG D C7 1 +HETATM 54025 C C8 . LMG UD 33 . ? 10.719 -65.881 -57.332 1.00 52.90 ? 411 LMG D C8 1 +HETATM 54026 C C9 . LMG UD 33 . ? 9.998 -66.539 -56.174 1.00 62.35 ? 411 LMG D C9 1 +HETATM 54027 O O7 . LMG UD 33 . ? 12.081 -66.231 -57.149 1.00 58.64 ? 411 LMG D O7 1 +HETATM 54028 C C10 . LMG UD 33 . ? 12.997 -65.129 -57.030 1.00 56.25 ? 411 LMG D C10 1 +HETATM 54029 O O9 . LMG UD 33 . ? 12.575 -63.992 -56.873 1.00 52.21 ? 411 LMG D O9 1 +HETATM 54030 C C11 . LMG UD 33 . ? 14.466 -65.461 -57.073 1.00 67.94 ? 411 LMG D C11 1 +HETATM 54031 C C12 . LMG UD 33 . ? 15.099 -65.237 -55.708 1.00 72.82 ? 411 LMG D C12 1 +HETATM 54032 C C13 . LMG UD 33 . ? 14.424 -66.065 -54.633 1.00 73.27 ? 411 LMG D C13 1 +HETATM 54033 C C14 . LMG UD 33 . ? 15.270 -66.010 -53.361 1.00 80.77 ? 411 LMG D C14 1 +HETATM 54034 C C15 . LMG UD 33 . ? 14.651 -65.015 -52.391 1.00 79.57 ? 411 LMG D C15 1 +HETATM 54035 C C16 . LMG UD 33 . ? 15.422 -64.879 -51.079 1.00 83.19 ? 411 LMG D C16 1 +HETATM 54036 C C17 . LMG UD 33 . ? 14.648 -63.935 -50.164 1.00 88.28 ? 411 LMG D C17 1 +HETATM 54037 C C18 . LMG UD 33 . ? 15.241 -63.788 -48.766 1.00 92.73 ? 411 LMG D C18 1 +HETATM 54038 C C19 . LMG UD 33 . ? 14.171 -63.188 -47.867 1.00 80.88 ? 411 LMG D C19 1 +HETATM 54039 C C20 . LMG UD 33 . ? 14.674 -62.981 -46.452 1.00 84.47 ? 411 LMG D C20 1 +HETATM 54040 C C21 . LMG UD 33 . ? 13.497 -62.940 -45.487 1.00 90.88 ? 411 LMG D C21 1 +HETATM 54041 C C22 . LMG UD 33 . ? 13.547 -64.155 -44.568 1.00 124.92 ? 411 LMG D C22 1 +HETATM 54042 C C23 . LMG UD 33 . ? 13.144 -65.436 -45.303 1.00 138.51 ? 411 LMG D C23 1 +HETATM 54043 C C24 . LMG UD 33 . ? 13.714 -66.691 -44.643 1.00 128.12 ? 411 LMG D C24 1 +HETATM 54044 C C25 . LMG UD 33 . ? 12.949 -67.928 -45.072 1.00 120.56 ? 411 LMG D C25 1 +HETATM 54045 O O8 . LMG UD 33 . ? 10.585 -65.992 -55.001 1.00 61.35 ? 411 LMG D O8 1 +HETATM 54046 C C28 . LMG UD 33 . ? 10.163 -66.469 -53.714 1.00 60.84 ? 411 LMG D C28 1 +HETATM 54047 O O10 . LMG UD 33 . ? 9.427 -67.441 -53.699 1.00 60.61 ? 411 LMG D O10 1 +HETATM 54048 C C29 . LMG UD 33 . ? 10.653 -65.781 -52.457 1.00 54.32 ? 411 LMG D C29 1 +HETATM 54049 C C30 . LMG UD 33 . ? 9.735 -66.144 -51.291 1.00 63.98 ? 411 LMG D C30 1 +HETATM 54050 C C31 . LMG UD 33 . ? 10.155 -65.492 -49.972 1.00 73.85 ? 411 LMG D C31 1 +HETATM 54051 C C32 . LMG UD 33 . ? 9.101 -65.731 -48.891 1.00 73.12 ? 411 LMG D C32 1 +HETATM 54052 C C33 . LMG UD 33 . ? 9.696 -66.402 -47.657 1.00 88.27 ? 411 LMG D C33 1 +HETATM 54053 C C34 . LMG UD 33 . ? 8.605 -66.983 -46.758 1.00 88.23 ? 411 LMG D C34 1 +HETATM 54054 C C35 . LMG UD 33 . ? 9.188 -67.965 -45.743 1.00 99.48 ? 411 LMG D C35 1 +HETATM 54055 C C36 . LMG UD 33 . ? 8.220 -68.300 -44.604 1.00 102.73 ? 411 LMG D C36 1 +HETATM 54056 C C37 . LMG UD 33 . ? 7.194 -69.367 -44.981 1.00 91.39 ? 411 LMG D C37 1 +HETATM 54057 C C38 . LMG UD 33 . ? 7.295 -70.616 -44.110 1.00 86.62 ? 411 LMG D C38 1 +HETATM 54058 C C39 . LMG UD 33 . ? 8.211 -71.681 -44.715 1.00 104.53 ? 411 LMG D C39 1 +HETATM 54059 C C40 . LMG UD 33 . ? 8.256 -72.943 -43.839 1.00 116.30 ? 411 LMG D C40 1 +HETATM 54060 C C41 . LMG UD 33 . ? 8.682 -74.182 -44.641 1.00 130.70 ? 411 LMG D C41 1 +HETATM 54061 C C42 . LMG UD 33 . ? 8.973 -75.394 -43.751 1.00 120.22 ? 411 LMG D C42 1 +HETATM 54062 C C43 . LMG UD 33 . ? 9.545 -76.545 -44.561 1.00 107.37 ? 411 LMG D C43 1 +HETATM 54063 C C1 . GOL VD 27 . ? 7.369 -28.224 -59.563 1.00 73.88 ? 412 GOL D C1 1 +HETATM 54064 O O1 . GOL VD 27 . ? 6.995 -27.391 -58.468 1.00 65.33 ? 412 GOL D O1 1 +HETATM 54065 C C2 . GOL VD 27 . ? 6.831 -29.647 -59.254 1.00 68.02 ? 412 GOL D C2 1 +HETATM 54066 O O2 . GOL VD 27 . ? 7.791 -30.431 -58.686 1.00 68.83 ? 412 GOL D O2 1 +HETATM 54067 C C3 . GOL VD 27 . ? 5.582 -29.443 -58.279 1.00 94.88 ? 412 GOL D C3 1 +HETATM 54068 O O3 . GOL VD 27 . ? 5.639 -30.353 -57.181 1.00 51.53 ? 412 GOL D O3 1 +HETATM 54069 O O1 A LHG WD 32 . ? 11.139 -81.677 -27.645 0.40 109.44 ? 101 LHG E O1 1 +HETATM 54070 O O1 B LHG WD 32 . ? 11.121 -81.693 -27.688 0.60 109.56 ? 101 LHG E O1 1 +HETATM 54071 C C1 A LHG WD 32 . ? 12.015 -82.506 -28.422 0.40 103.13 ? 101 LHG E C1 1 +HETATM 54072 C C1 B LHG WD 32 . ? 12.084 -82.477 -28.402 0.60 103.14 ? 101 LHG E C1 1 +HETATM 54073 C C2 A LHG WD 32 . ? 12.454 -81.759 -29.684 0.40 111.66 ? 101 LHG E C2 1 +HETATM 54074 C C2 B LHG WD 32 . ? 12.458 -81.782 -29.711 0.60 111.86 ? 101 LHG E C2 1 +HETATM 54075 O O2 A LHG WD 32 . ? 11.443 -81.848 -30.699 0.40 101.12 ? 101 LHG E O2 1 +HETATM 54076 O O2 B LHG WD 32 . ? 11.436 -81.991 -30.697 0.60 101.27 ? 101 LHG E O2 1 +HETATM 54077 C C3 A LHG WD 32 . ? 13.761 -82.362 -30.203 0.40 114.87 ? 101 LHG E C3 1 +HETATM 54078 C C3 B LHG WD 32 . ? 13.784 -82.354 -30.209 0.60 115.12 ? 101 LHG E C3 1 +HETATM 54079 O O3 A LHG WD 32 . ? 13.953 -82.147 -31.612 0.40 95.56 ? 101 LHG E O3 1 +HETATM 54080 O O3 B LHG WD 32 . ? 13.969 -82.140 -31.614 0.60 95.40 ? 101 LHG E O3 1 +HETATM 54081 P P A LHG WD 32 . ? 15.476 -82.063 -32.143 0.40 107.40 ? 101 LHG E P 1 +HETATM 54082 P P B LHG WD 32 . ? 15.483 -82.018 -32.159 0.60 107.72 ? 101 LHG E P 1 +HETATM 54083 O O4 A LHG WD 32 . ? 16.380 -82.133 -30.927 0.40 118.61 ? 101 LHG E O4 1 +HETATM 54084 O O4 B LHG WD 32 . ? 16.396 -82.122 -30.955 0.60 118.84 ? 101 LHG E O4 1 +HETATM 54085 O O5 A LHG WD 32 . ? 15.698 -83.081 -33.237 0.40 95.58 ? 101 LHG E O5 1 +HETATM 54086 O O5 B LHG WD 32 . ? 15.682 -82.979 -33.303 0.60 95.58 ? 101 LHG E O5 1 +HETATM 54087 O O6 A LHG WD 32 . ? 15.494 -80.543 -32.736 0.40 115.34 ? 101 LHG E O6 1 +HETATM 54088 O O6 B LHG WD 32 . ? 15.484 -80.488 -32.714 0.60 115.51 ? 101 LHG E O6 1 +HETATM 54089 C C4 A LHG WD 32 . ? 16.637 -79.687 -32.639 0.40 100.10 ? 101 LHG E C4 1 +HETATM 54090 C C4 B LHG WD 32 . ? 16.642 -79.649 -32.655 0.60 99.90 ? 101 LHG E C4 1 +HETATM 54091 C C5 A LHG WD 32 . ? 16.399 -78.340 -33.326 0.40 104.58 ? 101 LHG E C5 1 +HETATM 54092 C C5 B LHG WD 32 . ? 16.385 -78.287 -33.303 0.60 104.49 ? 101 LHG E C5 1 +HETATM 54093 C C6 A LHG WD 32 . ? 17.715 -77.807 -33.883 0.40 107.67 ? 101 LHG E C6 1 +HETATM 54094 C C6 B LHG WD 32 . ? 17.696 -77.723 -33.841 0.60 107.62 ? 101 LHG E C6 1 +HETATM 54095 O O7 A LHG WD 32 . ? 15.507 -78.466 -34.435 0.40 113.90 ? 101 LHG E O7 1 +HETATM 54096 O O7 B LHG WD 32 . ? 15.504 -78.407 -34.418 0.60 114.04 ? 101 LHG E O7 1 +HETATM 54097 C C7 A LHG WD 32 . ? 14.262 -77.729 -34.266 0.40 106.35 ? 101 LHG E C7 1 +HETATM 54098 C C7 B LHG WD 32 . ? 14.222 -77.750 -34.207 0.60 106.41 ? 101 LHG E C7 1 +HETATM 54099 O O9 A LHG WD 32 . ? 14.004 -77.261 -33.170 0.40 108.42 ? 101 LHG E O9 1 +HETATM 54100 O O9 B LHG WD 32 . ? 13.923 -77.396 -33.078 0.60 109.08 ? 101 LHG E O9 1 +HETATM 54101 C C8 A LHG WD 32 . ? 13.302 -77.548 -35.427 0.40 98.89 ? 101 LHG E C8 1 +HETATM 54102 C C8 B LHG WD 32 . ? 13.282 -77.512 -35.372 0.60 98.81 ? 101 LHG E C8 1 +HETATM 54103 C C9 A LHG WD 32 . ? 13.330 -76.105 -35.916 0.40 105.06 ? 101 LHG E C9 1 +HETATM 54104 C C9 B LHG WD 32 . ? 13.324 -76.050 -35.804 0.60 105.13 ? 101 LHG E C9 1 +HETATM 54105 C C10 A LHG WD 32 . ? 12.089 -75.765 -36.740 0.40 102.20 ? 101 LHG E C10 1 +HETATM 54106 C C10 B LHG WD 32 . ? 12.127 -75.694 -36.686 0.60 102.24 ? 101 LHG E C10 1 +HETATM 54107 O O8 A LHG WD 32 . ? 18.162 -76.697 -33.106 0.40 114.06 ? 101 LHG E O8 1 +HETATM 54108 O O8 B LHG WD 32 . ? 18.106 -76.610 -33.049 0.60 114.19 ? 101 LHG E O8 1 +HETATM 54109 C C23 A LHG WD 32 . ? 18.421 -75.406 -33.736 0.40 117.45 ? 101 LHG E C23 1 +HETATM 54110 C C23 B LHG WD 32 . ? 18.400 -75.327 -33.680 0.60 117.60 ? 101 LHG E C23 1 +HETATM 54111 O O10 A LHG WD 32 . ? 19.134 -74.601 -33.154 0.40 123.53 ? 101 LHG E O10 1 +HETATM 54112 O O10 B LHG WD 32 . ? 19.103 -74.525 -33.085 0.60 123.78 ? 101 LHG E O10 1 +HETATM 54113 C C24 A LHG WD 32 . ? 17.804 -75.046 -35.072 0.40 111.71 ? 101 LHG E C24 1 +HETATM 54114 C C24 B LHG WD 32 . ? 17.830 -74.974 -35.037 0.60 111.67 ? 101 LHG E C24 1 +HETATM 54115 C C11 A LHG WD 32 . ? 10.812 -76.082 -35.964 0.40 99.01 ? 101 LHG E C11 1 +HETATM 54116 C C11 B LHG WD 32 . ? 10.815 -76.049 -35.992 0.60 99.07 ? 101 LHG E C11 1 +HETATM 54117 C C12 A LHG WD 32 . ? 9.580 -75.435 -36.599 0.40 95.73 ? 101 LHG E C12 1 +HETATM 54118 C C12 B LHG WD 32 . ? 9.609 -75.364 -36.635 0.60 95.71 ? 101 LHG E C12 1 +HETATM 54119 C C13 A LHG WD 32 . ? 8.350 -75.613 -35.710 0.40 90.39 ? 101 LHG E C13 1 +HETATM 54120 C C13 B LHG WD 32 . ? 8.364 -75.546 -35.769 0.60 90.31 ? 101 LHG E C13 1 +HETATM 54121 C C14 A LHG WD 32 . ? 7.140 -74.851 -36.240 0.40 98.09 ? 101 LHG E C14 1 +HETATM 54122 C C14 B LHG WD 32 . ? 7.157 -74.783 -36.307 0.60 98.12 ? 101 LHG E C14 1 +HETATM 54123 C C15 A LHG WD 32 . ? 7.220 -73.363 -35.914 0.40 106.58 ? 101 LHG E C15 1 +HETATM 54124 C C15 B LHG WD 32 . ? 7.215 -73.307 -35.927 0.60 106.71 ? 101 LHG E C15 1 +HETATM 54125 C C16 A LHG WD 32 . ? 5.832 -72.779 -35.663 0.40 104.70 ? 101 LHG E C16 1 +HETATM 54126 C C16 B LHG WD 32 . ? 5.820 -72.746 -35.664 0.60 104.79 ? 101 LHG E C16 1 +HETATM 54127 C C17 A LHG WD 32 . ? 5.891 -71.311 -35.237 0.40 105.32 ? 101 LHG E C17 1 +HETATM 54128 C C17 B LHG WD 32 . ? 5.874 -71.276 -35.250 0.60 105.50 ? 101 LHG E C17 1 +HETATM 54129 C C18 A LHG WD 32 . ? 6.651 -71.124 -33.927 0.40 95.48 ? 101 LHG E C18 1 +HETATM 54130 C C18 B LHG WD 32 . ? 6.737 -71.068 -34.008 0.60 95.59 ? 101 LHG E C18 1 +HETATM 54131 C C19 A LHG WD 32 . ? 6.666 -69.670 -33.460 0.40 77.99 ? 101 LHG E C19 1 +HETATM 54132 C C19 B LHG WD 32 . ? 6.731 -69.616 -33.539 0.60 77.84 ? 101 LHG E C19 1 +HETATM 54133 C C20 A LHG WD 32 . ? 5.451 -69.351 -32.598 0.40 87.85 ? 101 LHG E C20 1 +HETATM 54134 C C20 B LHG WD 32 . ? 5.510 -69.325 -32.675 0.60 87.88 ? 101 LHG E C20 1 +HETATM 54135 C C21 A LHG WD 32 . ? 5.540 -67.950 -31.987 0.40 76.54 ? 101 LHG E C21 1 +HETATM 54136 C C21 B LHG WD 32 . ? 5.584 -67.938 -32.041 0.60 76.53 ? 101 LHG E C21 1 +HETATM 54137 C C22 A LHG WD 32 . ? 5.359 -66.892 -33.051 0.40 78.99 ? 101 LHG E C22 1 +HETATM 54138 C C22 B LHG WD 32 . ? 5.277 -66.858 -33.053 0.60 78.94 ? 101 LHG E C22 1 +HETATM 54139 C C25 A LHG WD 32 . ? 16.765 -73.944 -34.871 0.40 113.85 ? 101 LHG E C25 1 +HETATM 54140 C C25 B LHG WD 32 . ? 16.757 -73.900 -34.875 0.60 113.93 ? 101 LHG E C25 1 +HETATM 54141 C C26 A LHG WD 32 . ? 16.805 -72.946 -36.022 0.40 116.74 ? 101 LHG E C26 1 +HETATM 54142 C C26 B LHG WD 32 . ? 16.790 -72.912 -36.035 0.60 116.82 ? 101 LHG E C26 1 +HETATM 54143 C C27 A LHG WD 32 . ? 17.567 -71.686 -35.625 0.40 113.04 ? 101 LHG E C27 1 +HETATM 54144 C C27 B LHG WD 32 . ? 17.573 -71.656 -35.666 0.60 113.03 ? 101 LHG E C27 1 +HETATM 54145 C C28 A LHG WD 32 . ? 16.609 -70.637 -35.076 0.40 109.08 ? 101 LHG E C28 1 +HETATM 54146 C C28 B LHG WD 32 . ? 16.642 -70.589 -35.103 0.60 109.12 ? 101 LHG E C28 1 +HETATM 54147 C C29 A LHG WD 32 . ? 15.527 -70.339 -36.111 0.40 122.48 ? 101 LHG E C29 1 +HETATM 54148 C C29 B LHG WD 32 . ? 15.539 -70.279 -36.110 0.60 122.62 ? 101 LHG E C29 1 +HETATM 54149 C C30 A LHG WD 32 . ? 14.479 -69.362 -35.581 0.40 123.83 ? 101 LHG E C30 1 +HETATM 54150 C C30 B LHG WD 32 . ? 14.475 -69.361 -35.517 0.60 124.11 ? 101 LHG E C30 1 +HETATM 54151 C C31 A LHG WD 32 . ? 13.344 -69.163 -36.582 0.40 114.27 ? 101 LHG E C31 1 +HETATM 54152 C C31 B LHG WD 32 . ? 13.311 -69.170 -36.485 0.60 114.32 ? 101 LHG E C31 1 +HETATM 54153 C CHA . HEM XD 38 . ? 5.155 -85.825 -39.866 1.00 70.22 ? 102 HEM E CHA 1 +HETATM 54154 C CHB . HEM XD 38 . ? 1.449 -86.560 -42.923 1.00 68.28 ? 102 HEM E CHB 1 +HETATM 54155 C CHC . HEM XD 38 . ? 3.162 -83.026 -45.822 1.00 67.36 ? 102 HEM E CHC 1 +HETATM 54156 C CHD . HEM XD 38 . ? 7.004 -82.500 -42.865 1.00 53.28 ? 102 HEM E CHD 1 +HETATM 54157 C C1A . HEM XD 38 . ? 4.055 -86.366 -40.509 1.00 73.14 ? 102 HEM E C1A 1 +HETATM 54158 C C2A . HEM XD 38 . ? 3.439 -87.576 -40.117 1.00 78.89 ? 102 HEM E C2A 1 +HETATM 54159 C C3A . HEM XD 38 . ? 2.399 -87.787 -40.965 1.00 83.21 ? 102 HEM E C3A 1 +HETATM 54160 C C4A . HEM XD 38 . ? 2.355 -86.707 -41.884 1.00 69.49 ? 102 HEM E C4A 1 +HETATM 54161 C CMA . HEM XD 38 . ? 1.452 -88.960 -40.915 1.00 75.08 ? 102 HEM E CMA 1 +HETATM 54162 C CAA . HEM XD 38 . ? 3.867 -88.483 -38.977 1.00 76.49 ? 102 HEM E CAA 1 +HETATM 54163 C CBA . HEM XD 38 . ? 5.019 -89.324 -39.568 1.00 76.15 ? 102 HEM E CBA 1 +HETATM 54164 C CGA . HEM XD 38 . ? 5.487 -90.495 -38.723 1.00 94.69 ? 102 HEM E CGA 1 +HETATM 54165 O O1A . HEM XD 38 . ? 6.167 -91.410 -39.252 1.00 74.43 ? 102 HEM E O1A 1 +HETATM 54166 O O2A . HEM XD 38 . ? 5.227 -90.566 -37.501 1.00 89.89 ? 102 HEM E O2A 1 +HETATM 54167 C C1B . HEM XD 38 . ? 1.590 -85.606 -43.936 1.00 68.99 ? 102 HEM E C1B 1 +HETATM 54168 C C2B . HEM XD 38 . ? 0.597 -85.406 -44.934 1.00 73.84 ? 102 HEM E C2B 1 +HETATM 54169 C C3B . HEM XD 38 . ? 1.046 -84.411 -45.771 1.00 72.55 ? 102 HEM E C3B 1 +HETATM 54170 C C4B . HEM XD 38 . ? 2.373 -84.021 -45.234 1.00 72.45 ? 102 HEM E C4B 1 +HETATM 54171 C CMB . HEM XD 38 . ? -0.701 -86.165 -45.034 1.00 71.46 ? 102 HEM E CMB 1 +HETATM 54172 C CAB . HEM XD 38 . ? 0.412 -83.832 -46.990 1.00 74.28 ? 102 HEM E CAB 1 +HETATM 54173 C CBB . HEM XD 38 . ? -0.890 -83.572 -47.117 1.00 75.27 ? 102 HEM E CBB 1 +HETATM 54174 C C1C . HEM XD 38 . ? 4.368 -82.587 -45.285 1.00 58.90 ? 102 HEM E C1C 1 +HETATM 54175 C C2C . HEM XD 38 . ? 5.241 -81.670 -45.881 1.00 67.47 ? 102 HEM E C2C 1 +HETATM 54176 C C3C . HEM XD 38 . ? 6.331 -81.525 -45.041 1.00 70.65 ? 102 HEM E C3C 1 +HETATM 54177 C C4C . HEM XD 38 . ? 6.122 -82.365 -43.916 1.00 55.70 ? 102 HEM E C4C 1 +HETATM 54178 C CMC . HEM XD 38 . ? 5.013 -80.948 -47.184 1.00 61.27 ? 102 HEM E CMC 1 +HETATM 54179 C CAC . HEM XD 38 . ? 7.483 -80.639 -45.281 1.00 69.16 ? 102 HEM E CAC 1 +HETATM 54180 C CBC . HEM XD 38 . ? 8.600 -81.170 -45.769 1.00 74.96 ? 102 HEM E CBC 1 +HETATM 54181 C C1D . HEM XD 38 . ? 6.723 -83.297 -41.756 1.00 66.51 ? 102 HEM E C1D 1 +HETATM 54182 C C2D . HEM XD 38 . ? 7.438 -83.148 -40.479 1.00 66.51 ? 102 HEM E C2D 1 +HETATM 54183 C C3D . HEM XD 38 . ? 6.926 -84.067 -39.648 1.00 62.26 ? 102 HEM E C3D 1 +HETATM 54184 C C4D . HEM XD 38 . ? 5.883 -84.771 -40.407 1.00 82.64 ? 102 HEM E C4D 1 +HETATM 54185 C CMD . HEM XD 38 . ? 8.541 -82.186 -40.134 1.00 60.11 ? 102 HEM E CMD 1 +HETATM 54186 C CAD . HEM XD 38 . ? 7.315 -84.279 -38.214 1.00 65.40 ? 102 HEM E CAD 1 +HETATM 54187 C CBD . HEM XD 38 . ? 6.204 -83.547 -37.442 1.00 61.32 ? 102 HEM E CBD 1 +HETATM 54188 C CGD . HEM XD 38 . ? 6.156 -83.340 -35.942 1.00 78.32 ? 102 HEM E CGD 1 +HETATM 54189 O O1D . HEM XD 38 . ? 6.004 -82.183 -35.501 1.00 63.75 ? 102 HEM E O1D 1 +HETATM 54190 O O2D . HEM XD 38 . ? 6.245 -84.305 -35.133 1.00 67.84 ? 102 HEM E O2D 1 +HETATM 54191 N NA . HEM XD 38 . ? 3.431 -85.908 -41.648 1.00 78.19 ? 102 HEM E NA 1 +HETATM 54192 N NB . HEM XD 38 . ? 2.613 -84.768 -44.137 1.00 64.72 ? 102 HEM E NB 1 +HETATM 54193 N NC . HEM XD 38 . ? 4.940 -83.036 -44.135 1.00 74.04 ? 102 HEM E NC 1 +HETATM 54194 N ND . HEM XD 38 . ? 5.799 -84.270 -41.651 1.00 63.20 ? 102 HEM E ND 1 +HETATM 54195 FE FE . HEM XD 38 . ? 4.200 -84.469 -42.802 1.00 63.19 ? 102 HEM E FE 1 +HETATM 54196 C C1B . LMT YD 31 . ? 3.393 -74.900 -71.765 1.00 177.74 ? 101 LMT F C1B 1 +HETATM 54197 C C2B . LMT YD 31 . ? 3.616 -74.170 -73.129 1.00 189.32 ? 101 LMT F C2B 1 +HETATM 54198 C C3B . LMT YD 31 . ? 3.925 -72.652 -72.952 1.00 184.01 ? 101 LMT F C3B 1 +HETATM 54199 C C4B . LMT YD 31 . ? 2.945 -71.988 -71.942 1.00 187.56 ? 101 LMT F C4B 1 +HETATM 54200 C C5B . LMT YD 31 . ? 2.984 -72.867 -70.666 1.00 182.24 ? 101 LMT F C5B 1 +HETATM 54201 C C6B . LMT YD 31 . ? 2.208 -72.235 -69.511 1.00 142.68 ? 101 LMT F C6B 1 +HETATM 54202 O O1B . LMT YD 31 . ? 4.607 -75.068 -71.102 1.00 178.83 ? 101 LMT F O1B 1 +HETATM 54203 O O2B . LMT YD 31 . ? 4.647 -74.804 -73.791 1.00 175.05 ? 101 LMT F O2B 1 +HETATM 54204 O O3B . LMT YD 31 . ? 3.975 -71.992 -74.162 1.00 150.53 ? 101 LMT F O3B 1 +HETATM 54205 O "O4'" . LMT YD 31 . ? 3.299 -70.652 -71.674 1.00 117.53 ? 101 LMT F "O4'" 1 +HETATM 54206 O O5B . LMT YD 31 . ? 2.529 -74.181 -70.934 1.00 184.54 ? 101 LMT F O5B 1 +HETATM 54207 O O6B . LMT YD 31 . ? 2.516 -72.888 -68.336 1.00 130.16 ? 101 LMT F O6B 1 +HETATM 54208 C "C1'" . LMT YD 31 . ? 7.242 -77.600 -69.258 1.00 132.79 ? 101 LMT F "C1'" 1 +HETATM 54209 C "C2'" . LMT YD 31 . ? 7.432 -77.515 -70.790 1.00 160.37 ? 101 LMT F "C2'" 1 +HETATM 54210 C "C3'" . LMT YD 31 . ? 6.536 -76.398 -71.411 1.00 167.49 ? 101 LMT F "C3'" 1 +HETATM 54211 C "C4'" . LMT YD 31 . ? 5.093 -76.370 -70.854 1.00 167.60 ? 101 LMT F "C4'" 1 +HETATM 54212 C "C5'" . LMT YD 31 . ? 5.198 -76.557 -69.316 1.00 153.51 ? 101 LMT F "C5'" 1 +HETATM 54213 C "C6'" . LMT YD 31 . ? 3.880 -76.498 -68.579 1.00 141.81 ? 101 LMT F "C6'" 1 +HETATM 54214 O "O1'" . LMT YD 31 . ? 7.885 -78.694 -68.734 1.00 125.95 ? 101 LMT F "O1'" 1 +HETATM 54215 O "O2'" . LMT YD 31 . ? 8.747 -77.202 -71.064 1.00 138.36 ? 101 LMT F "O2'" 1 +HETATM 54216 O "O3'" . LMT YD 31 . ? 6.506 -76.508 -72.775 1.00 165.30 ? 101 LMT F "O3'" 1 +HETATM 54217 O "O5'" . LMT YD 31 . ? 5.856 -77.759 -69.001 1.00 145.71 ? 101 LMT F "O5'" 1 +HETATM 54218 O "O6'" . LMT YD 31 . ? 3.966 -75.448 -67.693 1.00 120.79 ? 101 LMT F "O6'" 1 +HETATM 54219 C C1 . LMT YD 31 . ? 9.224 -78.465 -68.337 1.00 109.00 ? 101 LMT F C1 1 +HETATM 54220 C C2 . LMT YD 31 . ? 9.397 -79.208 -67.052 1.00 110.63 ? 101 LMT F C2 1 +HETATM 54221 C C3 . LMT YD 31 . ? 10.642 -78.907 -66.281 1.00 112.24 ? 101 LMT F C3 1 +HETATM 54222 C C4 . LMT YD 31 . ? 10.601 -79.731 -65.015 1.00 122.37 ? 101 LMT F C4 1 +HETATM 54223 C C5 . LMT YD 31 . ? 11.345 -79.048 -63.913 1.00 111.07 ? 101 LMT F C5 1 +HETATM 54224 C C6 . LMT YD 31 . ? 11.593 -79.961 -62.760 1.00 107.04 ? 101 LMT F C6 1 +HETATM 54225 C C7 . LMT YD 31 . ? 11.488 -79.203 -61.471 1.00 104.83 ? 101 LMT F C7 1 +HETATM 54226 C C8 . LMT YD 31 . ? 11.712 -80.147 -60.338 1.00 102.02 ? 101 LMT F C8 1 +HETATM 54227 C C9 . LMT YD 31 . ? 12.376 -79.522 -59.154 1.00 115.41 ? 101 LMT F C9 1 +HETATM 54228 C C10 . LMT YD 31 . ? 12.833 -80.639 -58.256 1.00 140.54 ? 101 LMT F C10 1 +HETATM 54229 C C11 . LMT YD 31 . ? 13.383 -80.128 -56.960 1.00 123.85 ? 101 LMT F C11 1 +HETATM 54230 C C12 . LMT YD 31 . ? 14.175 -81.180 -56.246 1.00 119.71 ? 101 LMT F C12 1 +HETATM 54231 O O6 . SQD ZD 26 . ? -2.734 -85.480 -28.860 1.00 98.73 ? 102 SQD F O6 1 +HETATM 54232 C C44 . SQD ZD 26 . ? -3.943 -84.855 -28.393 1.00 92.94 ? 102 SQD F C44 1 +HETATM 54233 C C45 . SQD ZD 26 . ? -4.937 -84.489 -29.496 1.00 116.64 ? 102 SQD F C45 1 +HETATM 54234 C C46 . SQD ZD 26 . ? -4.139 -83.794 -30.582 1.00 112.48 ? 102 SQD F C46 1 +HETATM 54235 O O47 . SQD ZD 26 . ? -5.635 -85.630 -30.018 1.00 131.62 ? 102 SQD F O47 1 +HETATM 54236 C C7 . SQD ZD 26 . ? -6.982 -85.415 -30.578 1.00 136.64 ? 102 SQD F C7 1 +HETATM 54237 O O49 . SQD ZD 26 . ? -7.605 -86.399 -30.944 1.00 139.59 ? 102 SQD F O49 1 +HETATM 54238 C C8 . SQD ZD 26 . ? -7.653 -84.061 -30.739 1.00 145.40 ? 102 SQD F C8 1 +HETATM 54239 C C9 . SQD ZD 26 . ? -9.158 -84.260 -30.984 1.00 131.99 ? 102 SQD F C9 1 +HETATM 54240 C C10 . SQD ZD 26 . ? -9.820 -83.066 -31.679 1.00 127.56 ? 102 SQD F C10 1 +HETATM 54241 C C11 . SQD ZD 26 . ? -11.346 -83.107 -31.600 1.00 90.22 ? 102 SQD F C11 1 +HETATM 54242 O O48 . SQD ZD 26 . ? -4.100 -82.423 -30.212 1.00 118.77 ? 102 SQD F O48 1 +HETATM 54243 C C23 . SQD ZD 26 . ? -4.157 -81.459 -31.285 1.00 117.37 ? 102 SQD F C23 1 +HETATM 54244 O O10 . SQD ZD 26 . ? -3.785 -81.817 -32.393 1.00 123.09 ? 102 SQD F O10 1 +HETATM 54245 C C24 . SQD ZD 26 . ? -4.675 -80.062 -31.032 1.00 120.23 ? 102 SQD F C24 1 +HETATM 54246 C C25 . SQD ZD 26 . ? -4.537 -79.248 -32.317 1.00 123.22 ? 102 SQD F C25 1 +HETATM 54247 C C26 . SQD ZD 26 . ? -5.879 -78.700 -32.783 1.00 114.45 ? 102 SQD F C26 1 +HETATM 54248 C C27 . SQD ZD 26 . ? -6.030 -77.229 -32.420 1.00 100.44 ? 102 SQD F C27 1 +HETATM 54249 C C28 . SQD ZD 26 . ? -7.211 -76.653 -33.190 1.00 117.14 ? 102 SQD F C28 1 +HETATM 54250 C C29 . SQD ZD 26 . ? -7.538 -75.236 -32.735 1.00 121.25 ? 102 SQD F C29 1 +HETATM 54251 C C30 . SQD ZD 26 . ? -8.552 -74.599 -33.681 1.00 115.68 ? 102 SQD F C30 1 +HETATM 54252 C C31 . SQD ZD 26 . ? -9.839 -75.416 -33.751 1.00 111.70 ? 102 SQD F C31 1 +HETATM 54253 C C32 . SQD ZD 26 . ? -10.213 -75.779 -35.187 1.00 111.92 ? 102 SQD F C32 1 +HETATM 54254 C C33 . SQD ZD 26 . ? -11.500 -75.088 -35.632 1.00 107.87 ? 102 SQD F C33 1 +HETATM 54255 C C34 . SQD ZD 26 . ? -11.370 -73.579 -35.487 1.00 108.77 ? 102 SQD F C34 1 +HETATM 54256 C C35 . SQD ZD 26 . ? -12.128 -72.839 -36.584 1.00 118.63 ? 102 SQD F C35 1 +HETATM 54257 C C36 . SQD ZD 26 . ? -11.654 -73.291 -37.961 1.00 111.20 ? 102 SQD F C36 1 +HETATM 54258 C C37 . SQD ZD 26 . ? -11.604 -72.128 -38.946 1.00 94.17 ? 102 SQD F C37 1 +HETATM 54259 C C38 . SQD ZD 26 . ? -10.997 -72.580 -40.258 1.00 104.64 ? 102 SQD F C38 1 +HETATM 54260 C C1 . SQD ZD 26 . ? -1.844 -85.568 -27.736 1.00 89.65 ? 102 SQD F C1 1 +HETATM 54261 C C2 . SQD ZD 26 . ? -1.432 -86.939 -27.204 1.00 100.43 ? 102 SQD F C2 1 +HETATM 54262 O O2 . SQD ZD 26 . ? -2.472 -87.906 -27.371 1.00 81.89 ? 102 SQD F O2 1 +HETATM 54263 C C3 . SQD ZD 26 . ? -1.159 -86.667 -25.718 1.00 98.69 ? 102 SQD F C3 1 +HETATM 54264 O O3 . SQD ZD 26 . ? -0.667 -87.841 -25.046 1.00 93.49 ? 102 SQD F O3 1 +HETATM 54265 C C4 . SQD ZD 26 . ? -0.189 -85.483 -25.533 1.00 88.64 ? 102 SQD F C4 1 +HETATM 54266 O O4 . SQD ZD 26 . ? -0.333 -84.996 -24.195 1.00 80.49 ? 102 SQD F O4 1 +HETATM 54267 C C5 . SQD ZD 26 . ? -0.443 -84.319 -26.514 1.00 82.74 ? 102 SQD F C5 1 +HETATM 54268 C C6 . SQD ZD 26 . ? 0.642 -83.245 -26.453 1.00 74.89 ? 102 SQD F C6 1 +HETATM 54269 O O5 . SQD ZD 26 . ? -0.636 -84.823 -27.847 1.00 74.51 ? 102 SQD F O5 1 +HETATM 54270 S S . SQD ZD 26 . ? 0.201 -81.774 -27.140 1.00 73.96 ? 102 SQD F S 1 +HETATM 54271 O O7 . SQD ZD 26 . ? -0.176 -81.938 -28.559 1.00 72.58 ? 102 SQD F O7 1 +HETATM 54272 O O8 . SQD ZD 26 . ? -0.996 -81.189 -26.494 1.00 69.24 ? 102 SQD F O8 1 +HETATM 54273 O O9 . SQD ZD 26 . ? 1.389 -80.909 -26.979 1.00 71.43 ? 102 SQD F O9 1 +HETATM 54274 CA CA . CA AE 36 . ? 2.484 -64.437 -77.926 1.00 127.74 ? 103 CA F CA 1 +HETATM 54275 C C1 . BCR BE 25 . ? -17.010 -52.151 -20.256 1.00 63.73 ? 101 BCR H C1 1 +HETATM 54276 C C2 . BCR BE 25 . ? -15.966 -52.693 -19.284 1.00 62.59 ? 101 BCR H C2 1 +HETATM 54277 C C3 . BCR BE 25 . ? -16.161 -54.172 -18.982 1.00 59.37 ? 101 BCR H C3 1 +HETATM 54278 C C4 . BCR BE 25 . ? -17.535 -54.393 -18.373 1.00 53.71 ? 101 BCR H C4 1 +HETATM 54279 C C5 . BCR BE 25 . ? -18.645 -53.613 -19.060 1.00 56.94 ? 101 BCR H C5 1 +HETATM 54280 C C6 . BCR BE 25 . ? -18.421 -52.582 -19.912 1.00 57.06 ? 101 BCR H C6 1 +HETATM 54281 C C7 . BCR BE 25 . ? -19.507 -51.804 -20.588 1.00 54.05 ? 101 BCR H C7 1 +HETATM 54282 C C8 . BCR BE 25 . ? -20.508 -52.332 -21.303 1.00 55.40 ? 101 BCR H C8 1 +HETATM 54283 C C9 . BCR BE 25 . ? -21.553 -51.498 -21.949 1.00 67.35 ? 101 BCR H C9 1 +HETATM 54284 C C10 . BCR BE 25 . ? -22.441 -52.086 -22.780 1.00 55.18 ? 101 BCR H C10 1 +HETATM 54285 C C11 . BCR BE 25 . ? -23.506 -51.376 -23.496 1.00 62.94 ? 101 BCR H C11 1 +HETATM 54286 C C33 . BCR BE 25 . ? -20.032 -54.068 -18.700 1.00 57.33 ? 101 BCR H C33 1 +HETATM 54287 C C31 . BCR BE 25 . ? -16.756 -52.644 -21.673 1.00 54.97 ? 101 BCR H C31 1 +HETATM 54288 C C32 . BCR BE 25 . ? -16.911 -50.632 -20.248 1.00 56.45 ? 101 BCR H C32 1 +HETATM 54289 C C34 . BCR BE 25 . ? -21.601 -50.022 -21.687 1.00 58.07 ? 101 BCR H C34 1 +HETATM 54290 C C12 . BCR BE 25 . ? -23.972 -51.993 -24.592 1.00 64.88 ? 101 BCR H C12 1 +HETATM 54291 C C13 . BCR BE 25 . ? -25.029 -51.467 -25.484 1.00 68.11 ? 101 BCR H C13 1 +HETATM 54292 C C14 . BCR BE 25 . ? -25.424 -52.220 -26.542 1.00 71.00 ? 101 BCR H C14 1 +HETATM 54293 C C15 . BCR BE 25 . ? -26.452 -51.854 -27.531 1.00 60.37 ? 101 BCR H C15 1 +HETATM 54294 C C16 . BCR BE 25 . ? -26.562 -52.597 -28.651 1.00 70.86 ? 101 BCR H C16 1 +HETATM 54295 C C17 . BCR BE 25 . ? -27.558 -52.337 -29.703 1.00 68.84 ? 101 BCR H C17 1 +HETATM 54296 C C18 . BCR BE 25 . ? -27.691 -53.150 -30.779 1.00 66.99 ? 101 BCR H C18 1 +HETATM 54297 C C19 . BCR BE 25 . ? -28.713 -52.845 -31.818 1.00 71.57 ? 101 BCR H C19 1 +HETATM 54298 C C20 . BCR BE 25 . ? -28.790 -53.424 -33.032 1.00 68.59 ? 101 BCR H C20 1 +HETATM 54299 C C21 . BCR BE 25 . ? -29.871 -53.004 -33.939 1.00 71.21 ? 101 BCR H C21 1 +HETATM 54300 C C22 . BCR BE 25 . ? -30.122 -53.541 -35.159 1.00 73.80 ? 101 BCR H C22 1 +HETATM 54301 C C23 . BCR BE 25 . ? -31.146 -53.062 -35.908 1.00 75.33 ? 101 BCR H C23 1 +HETATM 54302 C C24 . BCR BE 25 . ? -31.314 -53.430 -37.187 1.00 78.46 ? 101 BCR H C24 1 +HETATM 54303 C C25 . BCR BE 25 . ? -32.416 -52.948 -38.071 1.00 93.01 ? 101 BCR H C25 1 +HETATM 54304 C C26 . BCR BE 25 . ? -32.316 -51.757 -38.685 1.00 81.34 ? 101 BCR H C26 1 +HETATM 54305 C C27 . BCR BE 25 . ? -33.379 -51.199 -39.613 1.00 83.38 ? 101 BCR H C27 1 +HETATM 54306 C C28 . BCR BE 25 . ? -34.713 -51.915 -39.458 1.00 90.39 ? 101 BCR H C28 1 +HETATM 54307 C C29 . BCR BE 25 . ? -34.509 -53.419 -39.429 1.00 89.12 ? 101 BCR H C29 1 +HETATM 54308 C C30 . BCR BE 25 . ? -33.626 -53.851 -38.260 1.00 91.30 ? 101 BCR H C30 1 +HETATM 54309 C C35 . BCR BE 25 . ? -25.614 -50.114 -25.223 1.00 74.55 ? 101 BCR H C35 1 +HETATM 54310 C C36 . BCR BE 25 . ? -26.797 -54.342 -30.915 1.00 59.98 ? 101 BCR H C36 1 +HETATM 54311 C C37 . BCR BE 25 . ? -29.278 -54.666 -35.690 1.00 69.24 ? 101 BCR H C37 1 +HETATM 54312 C C38 . BCR BE 25 . ? -31.091 -50.918 -38.461 1.00 79.91 ? 101 BCR H C38 1 +HETATM 54313 C C39 . BCR BE 25 . ? -33.156 -55.285 -38.478 1.00 71.20 ? 101 BCR H C39 1 +HETATM 54314 C C40 . BCR BE 25 . ? -34.445 -53.851 -36.981 1.00 88.51 ? 101 BCR H C40 1 +HETATM 54315 C C1A . DGD CE 35 . ? -11.883 -45.072 -40.422 1.00 49.88 ? 102 DGD H C1A 1 +HETATM 54316 C C2A . DGD CE 35 . ? -11.499 -46.527 -40.290 1.00 57.36 ? 102 DGD H C2A 1 +HETATM 54317 C C3A . DGD CE 35 . ? -11.022 -46.815 -38.863 1.00 54.21 ? 102 DGD H C3A 1 +HETATM 54318 C C4A . DGD CE 35 . ? -10.520 -48.251 -38.743 1.00 67.74 ? 102 DGD H C4A 1 +HETATM 54319 C C5A . DGD CE 35 . ? -10.065 -48.575 -37.320 1.00 70.26 ? 102 DGD H C5A 1 +HETATM 54320 C C6A . DGD CE 35 . ? -9.394 -49.944 -37.303 1.00 67.56 ? 102 DGD H C6A 1 +HETATM 54321 C C7A . DGD CE 35 . ? -9.408 -50.534 -35.901 1.00 66.68 ? 102 DGD H C7A 1 +HETATM 54322 C C8A . DGD CE 35 . ? -8.423 -51.686 -35.746 1.00 69.17 ? 102 DGD H C8A 1 +HETATM 54323 C C9A . DGD CE 35 . ? -7.947 -51.711 -34.294 1.00 69.63 ? 102 DGD H C9A 1 +HETATM 54324 C CAA . DGD CE 35 . ? -6.456 -52.016 -34.219 1.00 59.30 ? 102 DGD H CAA 1 +HETATM 54325 C CBA . DGD CE 35 . ? -5.878 -51.602 -32.866 1.00 69.12 ? 102 DGD H CBA 1 +HETATM 54326 C CCA . DGD CE 35 . ? -4.361 -51.746 -32.883 1.00 69.51 ? 102 DGD H CCA 1 +HETATM 54327 C CDA . DGD CE 35 . ? -3.756 -51.635 -31.484 1.00 73.06 ? 102 DGD H CDA 1 +HETATM 54328 C CEA . DGD CE 35 . ? -3.959 -50.250 -30.910 1.00 70.19 ? 102 DGD H CEA 1 +HETATM 54329 C CFA . DGD CE 35 . ? -2.746 -49.819 -30.095 1.00 65.63 ? 102 DGD H CFA 1 +HETATM 54330 C CGA . DGD CE 35 . ? -2.761 -48.303 -29.907 1.00 55.49 ? 102 DGD H CGA 1 +HETATM 54331 O O1A . DGD CE 35 . ? -11.687 -44.253 -39.530 1.00 54.03 ? 102 DGD H O1A 1 +HETATM 54332 C C1B . DGD CE 35 . ? -14.796 -43.817 -39.408 1.00 57.50 ? 102 DGD H C1B 1 +HETATM 54333 C C2B . DGD CE 35 . ? -14.963 -43.658 -37.923 1.00 59.80 ? 102 DGD H C2B 1 +HETATM 54334 C C3B . DGD CE 35 . ? -14.378 -42.306 -37.551 1.00 62.28 ? 102 DGD H C3B 1 +HETATM 54335 C C4B . DGD CE 35 . ? -14.519 -42.066 -36.042 1.00 67.69 ? 102 DGD H C4B 1 +HETATM 54336 C C5B . DGD CE 35 . ? -13.597 -42.966 -35.230 1.00 66.45 ? 102 DGD H C5B 1 +HETATM 54337 C C6B . DGD CE 35 . ? -12.132 -42.645 -35.504 1.00 69.32 ? 102 DGD H C6B 1 +HETATM 54338 C C7B . DGD CE 35 . ? -11.262 -43.119 -34.344 1.00 62.30 ? 102 DGD H C7B 1 +HETATM 54339 C C8B . DGD CE 35 . ? -10.300 -44.205 -34.816 1.00 57.96 ? 102 DGD H C8B 1 +HETATM 54340 C C9B . DGD CE 35 . ? -9.239 -43.619 -35.735 1.00 64.51 ? 102 DGD H C9B 1 +HETATM 54341 C CAB . DGD CE 35 . ? -8.386 -42.568 -35.039 1.00 59.15 ? 102 DGD H CAB 1 +HETATM 54342 C CBB . DGD CE 35 . ? -7.269 -42.143 -35.980 1.00 65.54 ? 102 DGD H CBB 1 +HETATM 54343 C CCB . DGD CE 35 . ? -7.134 -40.626 -36.066 1.00 70.38 ? 102 DGD H CCB 1 +HETATM 54344 C CDB . DGD CE 35 . ? -6.734 -40.300 -37.500 1.00 79.85 ? 102 DGD H CDB 1 +HETATM 54345 C CEB . DGD CE 35 . ? -6.805 -38.812 -37.808 1.00 68.22 ? 102 DGD H CEB 1 +HETATM 54346 C CFB . DGD CE 35 . ? -5.481 -38.398 -38.433 1.00 62.33 ? 102 DGD H CFB 1 +HETATM 54347 C CGB . DGD CE 35 . ? -4.386 -38.418 -37.363 1.00 63.52 ? 102 DGD H CGB 1 +HETATM 54348 O O1B . DGD CE 35 . ? -15.010 -44.859 -40.005 1.00 60.55 ? 102 DGD H O1B 1 +HETATM 54349 O O1G . DGD CE 35 . ? -12.499 -44.589 -41.632 1.00 56.98 ? 102 DGD H O1G 1 +HETATM 54350 C C1G . DGD CE 35 . ? -12.682 -43.185 -41.777 1.00 47.73 ? 102 DGD H C1G 1 +HETATM 54351 C C2G . DGD CE 35 . ? -14.146 -42.881 -41.514 1.00 48.72 ? 102 DGD H C2G 1 +HETATM 54352 O O2G . DGD CE 35 . ? -14.314 -42.673 -40.125 1.00 59.17 ? 102 DGD H O2G 1 +HETATM 54353 C C3G . DGD CE 35 . ? -14.467 -41.569 -42.190 1.00 47.99 ? 102 DGD H C3G 1 +HETATM 54354 O O3G . DGD CE 35 . ? -14.570 -41.861 -43.580 1.00 55.80 ? 102 DGD H O3G 1 +HETATM 54355 C C1D . DGD CE 35 . ? -13.924 -40.892 -44.384 1.00 51.16 ? 102 DGD H C1D 1 +HETATM 54356 C C2D . DGD CE 35 . ? -13.769 -41.447 -45.791 1.00 48.77 ? 102 DGD H C2D 1 +HETATM 54357 O O2D . DGD CE 35 . ? -12.900 -42.581 -45.694 1.00 57.86 ? 102 DGD H O2D 1 +HETATM 54358 C C3D . DGD CE 35 . ? -13.174 -40.375 -46.699 1.00 58.41 ? 102 DGD H C3D 1 +HETATM 54359 O O3D . DGD CE 35 . ? -13.132 -40.827 -48.056 1.00 56.99 ? 102 DGD H O3D 1 +HETATM 54360 C C4D . DGD CE 35 . ? -13.968 -39.078 -46.606 1.00 52.39 ? 102 DGD H C4D 1 +HETATM 54361 O O4D . DGD CE 35 . ? -15.273 -39.320 -47.127 1.00 59.96 ? 102 DGD H O4D 1 +HETATM 54362 C C5D . DGD CE 35 . ? -14.119 -38.672 -45.154 1.00 56.42 ? 102 DGD H C5D 1 +HETATM 54363 O O5D . DGD CE 35 . ? -16.213 -37.552 -45.575 1.00 64.17 ? 102 DGD H O5D 1 +HETATM 54364 C C6D . DGD CE 35 . ? -14.941 -37.404 -44.947 1.00 54.15 ? 102 DGD H C6D 1 +HETATM 54365 O O6D . DGD CE 35 . ? -14.744 -39.741 -44.438 1.00 54.97 ? 102 DGD H O6D 1 +HETATM 54366 C C1E . DGD CE 35 . ? -17.189 -36.592 -45.109 1.00 66.40 ? 102 DGD H C1E 1 +HETATM 54367 C C2E . DGD CE 35 . ? -18.613 -37.101 -45.374 1.00 68.64 ? 102 DGD H C2E 1 +HETATM 54368 O O2E . DGD CE 35 . ? -18.818 -38.395 -44.788 1.00 69.80 ? 102 DGD H O2E 1 +HETATM 54369 C C3E . DGD CE 35 . ? -18.871 -37.237 -46.878 1.00 90.41 ? 102 DGD H C3E 1 +HETATM 54370 O O3E . DGD CE 35 . ? -20.229 -37.634 -47.125 1.00 75.16 ? 102 DGD H O3E 1 +HETATM 54371 C C4E . DGD CE 35 . ? -18.550 -35.920 -47.570 1.00 81.82 ? 102 DGD H C4E 1 +HETATM 54372 O O4E . DGD CE 35 . ? -19.435 -34.924 -47.029 1.00 71.37 ? 102 DGD H O4E 1 +HETATM 54373 C C5E . DGD CE 35 . ? -17.088 -35.609 -47.242 1.00 88.20 ? 102 DGD H C5E 1 +HETATM 54374 O O6E . DGD CE 35 . ? -16.975 -35.371 -45.827 1.00 66.40 ? 102 DGD H O6E 1 +HETATM 54375 C C6E . DGD CE 35 . ? -16.472 -34.478 -48.060 1.00 67.74 ? 102 DGD H C6E 1 +HETATM 54376 O O5E . DGD CE 35 . ? -17.020 -33.262 -47.559 1.00 73.04 ? 102 DGD H O5E 1 +HETATM 54377 C C10 . UNL DE 30 . ? 50.280 -17.769 -44.947 1.00 97.10 ? 101 UNL I C10 1 +HETATM 54378 C C11 . UNL DE 30 . ? 50.095 -19.128 -44.292 1.00 85.80 ? 101 UNL I C11 1 +HETATM 54379 C C12 . UNL DE 30 . ? 48.876 -19.120 -43.380 1.00 80.00 ? 101 UNL I C12 1 +HETATM 54380 C C13 . UNL DE 30 . ? 48.837 -20.383 -42.535 1.00 75.60 ? 101 UNL I C13 1 +HETATM 54381 C C14 . UNL DE 30 . ? 47.456 -20.575 -41.935 1.00 81.43 ? 101 UNL I C14 1 +HETATM 54382 C C15 . UNL DE 30 . ? 47.235 -22.014 -41.490 1.00 73.69 ? 101 UNL I C15 1 +HETATM 54383 C C16 . UNL DE 30 . ? 48.206 -22.419 -40.392 1.00 85.02 ? 101 UNL I C16 1 +HETATM 54384 C C17 . UNL DE 30 . ? 47.476 -23.213 -39.310 1.00 87.97 ? 101 UNL I C17 1 +HETATM 54385 C C18 . UNL DE 30 . ? 48.417 -23.691 -38.211 1.00 79.88 ? 101 UNL I C18 1 +HETATM 54386 C C19 . UNL DE 30 . ? 47.685 -23.723 -36.873 1.00 84.72 ? 101 UNL I C19 1 +HETATM 54387 C C20 . UNL DE 30 . ? 48.603 -24.105 -35.711 1.00 93.14 ? 101 UNL I C20 1 +HETATM 54388 C C21 . UNL DE 30 . ? 47.926 -23.824 -34.368 1.00 106.09 ? 101 UNL I C21 1 +HETATM 54389 C C22 . UNL DE 30 . ? 47.968 -25.024 -33.440 1.00 97.33 ? 101 UNL I C22 1 +HETATM 54390 C C23 . UNL DE 30 . ? 54.611 -15.561 -44.080 1.00 158.17 ? 101 UNL I C23 1 +HETATM 54391 C C24 . UNL DE 30 . ? 54.246 -14.259 -43.386 1.00 158.47 ? 101 UNL I C24 1 +HETATM 54392 C C25 . UNL DE 30 . ? 52.998 -14.402 -42.507 1.00 145.91 ? 101 UNL I C25 1 +HETATM 54393 C C26 . UNL DE 30 . ? 53.258 -15.111 -41.175 1.00 133.66 ? 101 UNL I C26 1 +HETATM 54394 C C27 . UNL DE 30 . ? 52.543 -16.463 -41.080 1.00 132.55 ? 101 UNL I C27 1 +HETATM 54395 C C28 . UNL DE 30 . ? 53.342 -17.602 -41.721 1.00 121.83 ? 101 UNL I C28 1 +HETATM 54396 C C29 . UNL DE 30 . ? 52.822 -18.967 -41.270 1.00 116.33 ? 101 UNL I C29 1 +HETATM 54397 C C30 . UNL DE 30 . ? 53.718 -20.123 -41.713 1.00 98.59 ? 101 UNL I C30 1 +HETATM 54398 C C31 . UNL DE 30 . ? 54.360 -20.862 -40.536 1.00 94.82 ? 101 UNL I C31 1 +HETATM 54399 C C32 . UNL DE 30 . ? 53.361 -21.493 -39.564 1.00 96.08 ? 101 UNL I C32 1 +HETATM 54400 C C33 . UNL DE 30 . ? 54.083 -22.378 -38.544 1.00 111.69 ? 101 UNL I C33 1 +HETATM 54401 C C34 . UNL DE 30 . ? 53.292 -22.557 -37.248 1.00 98.23 ? 101 UNL I C34 1 +HETATM 54402 C C35 . UNL DE 30 . ? 53.611 -23.879 -36.543 1.00 132.65 ? 101 UNL I C35 1 +HETATM 54403 C C36 . UNL DE 30 . ? 54.822 -23.816 -35.609 1.00 123.62 ? 101 UNL I C36 1 +HETATM 54404 C C37 . UNL DE 30 . ? 55.408 -25.206 -35.342 1.00 113.60 ? 101 UNL I C37 1 +HETATM 54405 C C38 . UNL DE 30 . ? 54.814 -25.863 -34.114 1.00 101.30 ? 101 UNL I C38 1 +HETATM 54406 C C4 . UNL DE 30 . ? 52.799 -15.874 -48.549 1.00 143.41 ? 101 UNL I C4 1 +HETATM 54407 C C5 . UNL DE 30 . ? 52.290 -15.718 -47.110 1.00 154.26 ? 101 UNL I C5 1 +HETATM 54408 C C6 . UNL DE 30 . ? 53.363 -15.075 -46.220 1.00 166.23 ? 101 UNL I C6 1 +HETATM 54409 C C7 . UNL DE 30 . ? 49.876 -15.602 -47.180 1.00 122.41 ? 101 UNL I C7 1 +HETATM 54410 C C8 . UNL DE 30 . ? 49.037 -15.820 -45.935 1.00 119.92 ? 101 UNL I C8 1 +HETATM 54411 C C9 . UNL DE 30 . ? 48.968 -17.298 -45.560 1.00 99.09 ? 101 UNL I C9 1 +HETATM 54412 O O10 . UNL DE 30 . ? 55.515 -16.272 -43.653 1.00 130.33 ? 101 UNL I O10 1 +HETATM 54413 O O6 . UNL DE 30 . ? 51.896 -15.290 -49.494 1.00 127.51 ? 101 UNL I O6 1 +HETATM 54414 O O7 . UNL DE 30 . ? 51.133 -14.879 -47.068 1.00 158.94 ? 101 UNL I O7 1 +HETATM 54415 O O8 . UNL DE 30 . ? 53.877 -16.008 -45.262 1.00 165.25 ? 101 UNL I O8 1 +HETATM 54416 O O9 . UNL DE 30 . ? 49.506 -15.989 -48.280 1.00 116.85 ? 101 UNL I O9 1 +HETATM 54417 C C10 . UNL EE 30 . ? 19.807 -68.310 -68.997 1.00 78.73 ? 101 UNL J C10 1 +HETATM 54418 C C11 . UNL EE 30 . ? 20.923 -68.357 -67.948 1.00 72.68 ? 101 UNL J C11 1 +HETATM 54419 C C12 . UNL EE 30 . ? 20.338 -68.477 -66.540 1.00 80.77 ? 101 UNL J C12 1 +HETATM 54420 C C13 . UNL EE 30 . ? 21.375 -68.888 -65.496 1.00 85.30 ? 101 UNL J C13 1 +HETATM 54421 C C14 . UNL EE 30 . ? 20.730 -69.521 -64.261 1.00 81.81 ? 101 UNL J C14 1 +HETATM 54422 C C15 . UNL EE 30 . ? 21.790 -70.089 -63.317 1.00 90.00 ? 101 UNL J C15 1 +HETATM 54423 C C16 . UNL EE 30 . ? 21.203 -70.705 -62.047 1.00 75.35 ? 101 UNL J C16 1 +HETATM 54424 C C7 . UNL EE 30 . ? 19.673 -66.053 -71.832 1.00 84.38 ? 101 UNL J C7 1 +HETATM 54425 C C8 . UNL EE 30 . ? 19.255 -67.409 -71.308 1.00 95.66 ? 101 UNL J C8 1 +HETATM 54426 C C9 . UNL EE 30 . ? 20.342 -67.970 -70.390 1.00 86.15 ? 101 UNL J C9 1 +HETATM 54427 MG MG . MG FE 39 . ? 10.285 -65.609 -66.334 1.00 57.72 ? 102 MG J MG 1 +HETATM 54428 C C10 A UNL GE 30 . ? 25.947 -77.180 -37.982 0.40 94.88 ? 101 UNL K C10 1 +HETATM 54429 C C11 A UNL GE 30 . ? 26.667 -76.275 -38.974 0.40 88.57 ? 101 UNL K C11 1 +HETATM 54430 C C12 A UNL GE 30 . ? 25.752 -75.927 -40.140 0.40 101.96 ? 101 UNL K C12 1 +HETATM 54431 C C13 A UNL GE 30 . ? 26.324 -74.803 -40.998 0.40 108.08 ? 101 UNL K C13 1 +HETATM 54432 C C14 A UNL GE 30 . ? 25.275 -74.302 -41.986 0.40 106.81 ? 101 UNL K C14 1 +HETATM 54433 C C15 A UNL GE 30 . ? 25.569 -72.878 -42.444 0.40 117.38 ? 101 UNL K C15 1 +HETATM 54434 C C16 A UNL GE 30 . ? 24.420 -72.317 -43.275 0.40 121.17 ? 101 UNL K C16 1 +HETATM 54435 C C23 A UNL GE 30 . ? 27.615 -75.427 -33.330 0.40 117.93 ? 101 UNL K C23 1 +HETATM 54436 C C24 A UNL GE 30 . ? 27.815 -74.184 -34.158 0.40 105.00 ? 101 UNL K C24 1 +HETATM 54437 C C25 A UNL GE 30 . ? 26.462 -73.734 -34.698 0.40 112.00 ? 101 UNL K C25 1 +HETATM 54438 C C26 A UNL GE 30 . ? 26.634 -72.431 -35.464 0.40 110.30 ? 101 UNL K C26 1 +HETATM 54439 C C27 A UNL GE 30 . ? 25.733 -72.347 -36.690 0.40 101.01 ? 101 UNL K C27 1 +HETATM 54440 C C28 A UNL GE 30 . ? 26.087 -71.080 -37.459 0.40 115.00 ? 101 UNL K C28 1 +HETATM 54441 C C29 A UNL GE 30 . ? 25.384 -70.972 -38.809 0.40 122.21 ? 101 UNL K C29 1 +HETATM 54442 C C30 A UNL GE 30 . ? 25.648 -69.604 -39.434 0.40 121.55 ? 101 UNL K C30 1 +HETATM 54443 C C31 A UNL GE 30 . ? 24.847 -69.409 -40.719 0.40 128.34 ? 101 UNL K C31 1 +HETATM 54444 C C32 A UNL GE 30 . ? 24.380 -67.961 -40.864 0.40 129.14 ? 101 UNL K C32 1 +HETATM 54445 C C33 A UNL GE 30 . ? 23.464 -67.557 -39.707 0.40 128.04 ? 101 UNL K C33 1 +HETATM 54446 C C34 A UNL GE 30 . ? 22.787 -66.212 -39.961 0.40 119.77 ? 101 UNL K C34 1 +HETATM 54447 C C35 A UNL GE 30 . ? 22.189 -66.139 -41.366 0.40 116.42 ? 101 UNL K C35 1 +HETATM 54448 C C36 A UNL GE 30 . ? 21.418 -64.838 -41.572 0.40 109.59 ? 101 UNL K C36 1 +HETATM 54449 C C37 A UNL GE 30 . ? 21.071 -64.619 -43.042 0.40 115.96 ? 101 UNL K C37 1 +HETATM 54450 C C38 A UNL GE 30 . ? 21.497 -63.243 -43.519 0.40 102.18 ? 101 UNL K C38 1 +HETATM 54451 C C4 A UNL GE 30 . ? 29.396 -79.803 -32.674 0.40 109.83 ? 101 UNL K C4 1 +HETATM 54452 C C5 A UNL GE 30 . ? 28.275 -78.798 -32.937 0.40 120.68 ? 101 UNL K C5 1 +HETATM 54453 C C6 A UNL GE 30 . ? 28.639 -77.465 -32.299 0.40 111.33 ? 101 UNL K C6 1 +HETATM 54454 C C7 A UNL GE 30 . ? 27.136 -79.346 -35.030 0.40 124.67 ? 101 UNL K C7 1 +HETATM 54455 C C8 A UNL GE 30 . ? 26.186 -78.707 -36.026 0.40 111.27 ? 101 UNL K C8 1 +HETATM 54456 C C9 A UNL GE 30 . ? 26.908 -77.712 -36.927 0.40 96.03 ? 101 UNL K C9 1 +HETATM 54457 O O10 A UNL GE 30 . ? 26.601 -75.555 -32.647 0.40 123.88 ? 101 UNL K O10 1 +HETATM 54458 O O6 A UNL GE 30 . ? 30.215 -79.320 -31.609 0.40 115.93 ? 101 UNL K O6 1 +HETATM 54459 O O7 A UNL GE 30 . ? 28.126 -78.530 -34.337 0.40 122.63 ? 101 UNL K O7 1 +HETATM 54460 O O8 A UNL GE 30 . ? 28.624 -76.480 -33.341 0.40 111.64 ? 101 UNL K O8 1 +HETATM 54461 O O9 A UNL GE 30 . ? 27.077 -80.549 -34.805 0.40 132.78 ? 101 UNL K O9 1 +HETATM 54462 C C10 B UNL GE 30 . ? 25.974 -77.285 -38.016 0.60 94.75 ? 101 UNL K C10 1 +HETATM 54463 C C11 B UNL GE 30 . ? 26.649 -76.294 -38.958 0.60 88.43 ? 101 UNL K C11 1 +HETATM 54464 C C12 B UNL GE 30 . ? 25.714 -75.934 -40.104 0.60 101.95 ? 101 UNL K C12 1 +HETATM 54465 C C13 B UNL GE 30 . ? 26.303 -74.846 -40.998 0.60 108.17 ? 101 UNL K C13 1 +HETATM 54466 C C14 B UNL GE 30 . ? 25.260 -74.355 -41.997 0.60 106.77 ? 101 UNL K C14 1 +HETATM 54467 C C15 B UNL GE 30 . ? 25.557 -72.931 -42.455 0.60 117.42 ? 101 UNL K C15 1 +HETATM 54468 C C16 B UNL GE 30 . ? 24.425 -72.384 -43.318 0.60 121.22 ? 101 UNL K C16 1 +HETATM 54469 C C23 B UNL GE 30 . ? 27.592 -75.398 -33.230 0.60 118.27 ? 101 UNL K C23 1 +HETATM 54470 C C24 B UNL GE 30 . ? 27.794 -74.106 -33.983 0.60 105.09 ? 101 UNL K C24 1 +HETATM 54471 C C25 B UNL GE 30 . ? 26.503 -73.747 -34.713 0.60 112.11 ? 101 UNL K C25 1 +HETATM 54472 C C26 B UNL GE 30 . ? 26.671 -72.430 -35.460 0.60 110.42 ? 101 UNL K C26 1 +HETATM 54473 C C27 B UNL GE 30 . ? 25.779 -72.338 -36.693 0.60 100.88 ? 101 UNL K C27 1 +HETATM 54474 C C28 B UNL GE 30 . ? 26.128 -71.067 -37.459 0.60 115.07 ? 101 UNL K C28 1 +HETATM 54475 C C29 B UNL GE 30 . ? 25.408 -70.960 -38.800 0.60 122.32 ? 101 UNL K C29 1 +HETATM 54476 C C30 B UNL GE 30 . ? 25.630 -69.581 -39.416 0.60 121.59 ? 101 UNL K C30 1 +HETATM 54477 C C31 B UNL GE 30 . ? 24.826 -69.410 -40.701 0.60 128.45 ? 101 UNL K C31 1 +HETATM 54478 C C32 B UNL GE 30 . ? 24.338 -67.972 -40.860 0.60 129.27 ? 101 UNL K C32 1 +HETATM 54479 C C33 B UNL GE 30 . ? 23.433 -67.564 -39.698 0.60 128.18 ? 101 UNL K C33 1 +HETATM 54480 C C34 B UNL GE 30 . ? 22.794 -66.198 -39.930 0.60 119.85 ? 101 UNL K C34 1 +HETATM 54481 C C35 B UNL GE 30 . ? 22.139 -66.121 -41.309 0.60 116.48 ? 101 UNL K C35 1 +HETATM 54482 C C36 B UNL GE 30 . ? 21.436 -64.783 -41.526 0.60 109.58 ? 101 UNL K C36 1 +HETATM 54483 C C37 B UNL GE 30 . ? 21.008 -64.623 -42.982 0.60 116.09 ? 101 UNL K C37 1 +HETATM 54484 C C38 B UNL GE 30 . ? 21.452 -63.288 -43.550 0.60 102.23 ? 101 UNL K C38 1 +HETATM 54485 C C4 B UNL GE 30 . ? 29.443 -79.812 -32.678 0.60 109.72 ? 101 UNL K C4 1 +HETATM 54486 C C5 B UNL GE 30 . ? 28.333 -78.797 -32.943 0.60 120.75 ? 101 UNL K C5 1 +HETATM 54487 C C6 B UNL GE 30 . ? 28.690 -77.457 -32.312 0.60 111.35 ? 101 UNL K C6 1 +HETATM 54488 C C7 B UNL GE 30 . ? 27.180 -79.363 -35.009 0.60 124.91 ? 101 UNL K C7 1 +HETATM 54489 C C8 B UNL GE 30 . ? 26.218 -78.722 -35.989 0.60 111.37 ? 101 UNL K C8 1 +HETATM 54490 C C9 B UNL GE 30 . ? 26.951 -77.824 -36.977 0.60 95.69 ? 101 UNL K C9 1 +HETATM 54491 O O10 B UNL GE 30 . ? 26.600 -75.554 -32.524 0.60 124.31 ? 101 UNL K O10 1 +HETATM 54492 O O6 B UNL GE 30 . ? 30.274 -79.345 -31.616 0.60 116.01 ? 101 UNL K O6 1 +HETATM 54493 O O7 B UNL GE 30 . ? 28.191 -78.548 -34.346 0.60 122.90 ? 101 UNL K O7 1 +HETATM 54494 O O8 B UNL GE 30 . ? 28.572 -76.471 -33.344 0.60 111.77 ? 101 UNL K O8 1 +HETATM 54495 O O9 B UNL GE 30 . ? 27.115 -80.563 -34.773 0.60 133.10 ? 101 UNL K O9 1 +HETATM 54496 C C1 . BCR HE 25 . ? 38.193 -80.912 -72.467 1.00 76.49 ? 102 BCR K C1 1 +HETATM 54497 C C2 . BCR HE 25 . ? 38.085 -80.105 -73.756 1.00 67.04 ? 102 BCR K C2 1 +HETATM 54498 C C3 . BCR HE 25 . ? 39.401 -79.476 -74.169 1.00 65.52 ? 102 BCR K C3 1 +HETATM 54499 C C4 . BCR HE 25 . ? 40.462 -80.533 -74.354 1.00 75.34 ? 102 BCR K C4 1 +HETATM 54500 C C5 . BCR HE 25 . ? 40.586 -81.374 -73.101 1.00 75.85 ? 102 BCR K C5 1 +HETATM 54501 C C6 . BCR HE 25 . ? 39.560 -81.546 -72.248 1.00 63.96 ? 102 BCR K C6 1 +HETATM 54502 C C7 . BCR HE 25 . ? 39.677 -82.374 -71.020 1.00 60.07 ? 102 BCR K C7 1 +HETATM 54503 C C8 . BCR HE 25 . ? 40.460 -82.052 -69.984 1.00 68.13 ? 102 BCR K C8 1 +HETATM 54504 C C9 . BCR HE 25 . ? 40.497 -82.890 -68.766 1.00 79.78 ? 102 BCR K C9 1 +HETATM 54505 C C10 . BCR HE 25 . ? 40.975 -82.355 -67.619 1.00 63.42 ? 102 BCR K C10 1 +HETATM 54506 C C11 . BCR HE 25 . ? 40.995 -83.050 -66.324 1.00 69.50 ? 102 BCR K C11 1 +HETATM 54507 C C33 . BCR HE 25 . ? 41.921 -82.019 -72.867 1.00 73.14 ? 102 BCR K C33 1 +HETATM 54508 C C31 . BCR HE 25 . ? 37.130 -82.003 -72.513 1.00 66.13 ? 102 BCR K C31 1 +HETATM 54509 C C32 . BCR HE 25 . ? 37.901 -79.999 -71.282 1.00 70.05 ? 102 BCR K C32 1 +HETATM 54510 C C34 . BCR HE 25 . ? 39.979 -84.303 -68.832 1.00 70.83 ? 102 BCR K C34 1 +HETATM 54511 C C12 . BCR HE 25 . ? 41.232 -82.309 -65.228 1.00 71.97 ? 102 BCR K C12 1 +HETATM 54512 C C13 . BCR HE 25 . ? 41.210 -82.802 -63.822 1.00 64.25 ? 102 BCR K C13 1 +HETATM 54513 C C14 . BCR HE 25 . ? 41.515 -81.951 -62.817 1.00 62.26 ? 102 BCR K C14 1 +HETATM 54514 C C15 . BCR HE 25 . ? 41.451 -82.275 -61.379 1.00 82.01 ? 102 BCR K C15 1 +HETATM 54515 C C16 . BCR HE 25 . ? 41.662 -81.316 -60.455 1.00 62.24 ? 102 BCR K C16 1 +HETATM 54516 C C17 . BCR HE 25 . ? 41.529 -81.568 -59.017 1.00 71.14 ? 102 BCR K C17 1 +HETATM 54517 C C18 . BCR HE 25 . ? 41.804 -80.674 -58.030 1.00 76.98 ? 102 BCR K C18 1 +HETATM 54518 C C19 . BCR HE 25 . ? 41.535 -81.104 -56.633 1.00 73.99 ? 102 BCR K C19 1 +HETATM 54519 C C20 . BCR HE 25 . ? 41.728 -80.396 -55.516 1.00 57.33 ? 102 BCR K C20 1 +HETATM 54520 C C21 . BCR HE 25 . ? 41.331 -81.023 -54.242 1.00 68.01 ? 102 BCR K C21 1 +HETATM 54521 C C22 . BCR HE 25 . ? 40.982 -80.330 -53.134 1.00 65.27 ? 102 BCR K C22 1 +HETATM 54522 C C23 . BCR HE 25 . ? 40.607 -80.982 -52.009 1.00 66.24 ? 102 BCR K C23 1 +HETATM 54523 C C24 . BCR HE 25 . ? 40.344 -80.324 -50.870 1.00 57.43 ? 102 BCR K C24 1 +HETATM 54524 C C25 . BCR HE 25 . ? 39.934 -80.961 -49.581 1.00 66.58 ? 102 BCR K C25 1 +HETATM 54525 C C26 . BCR HE 25 . ? 40.818 -81.685 -48.868 1.00 56.20 ? 102 BCR K C26 1 +HETATM 54526 C C27 . BCR HE 25 . ? 40.480 -82.332 -47.548 1.00 57.68 ? 102 BCR K C27 1 +HETATM 54527 C C28 . BCR HE 25 . ? 38.985 -82.528 -47.406 1.00 60.75 ? 102 BCR K C28 1 +HETATM 54528 C C29 . BCR HE 25 . ? 38.262 -81.220 -47.683 1.00 65.26 ? 102 BCR K C29 1 +HETATM 54529 C C30 . BCR HE 25 . ? 38.513 -80.718 -49.097 1.00 58.12 ? 102 BCR K C30 1 +HETATM 54530 C C35 . BCR HE 25 . ? 40.779 -84.213 -63.537 1.00 66.79 ? 102 BCR K C35 1 +HETATM 54531 C C36 . BCR HE 25 . ? 42.335 -79.296 -58.334 1.00 58.71 ? 102 BCR K C36 1 +HETATM 54532 C C37 . BCR HE 25 . ? 41.014 -78.827 -53.150 1.00 61.85 ? 102 BCR K C37 1 +HETATM 54533 C C38 . BCR HE 25 . ? 42.226 -81.879 -49.355 1.00 62.70 ? 102 BCR K C38 1 +HETATM 54534 C C39 . BCR HE 25 . ? 38.305 -79.205 -49.114 1.00 59.82 ? 102 BCR K C39 1 +HETATM 54535 C C40 . BCR HE 25 . ? 37.489 -81.353 -50.033 1.00 61.99 ? 102 BCR K C40 1 +HETATM 54536 O O1 A LHG IE 32 . ? 17.489 -39.967 -9.779 0.40 51.23 ? 101 LHG L O1 1 +HETATM 54537 O O1 B LHG IE 32 . ? 17.545 -39.996 -9.805 0.60 51.42 ? 101 LHG L O1 1 +HETATM 54538 C C1 A LHG IE 32 . ? 18.366 -40.855 -10.510 0.40 54.97 ? 101 LHG L C1 1 +HETATM 54539 C C1 B LHG IE 32 . ? 18.425 -40.921 -10.479 0.60 55.03 ? 101 LHG L C1 1 +HETATM 54540 C C2 A LHG IE 32 . ? 19.207 -41.680 -9.524 0.40 55.97 ? 101 LHG L C2 1 +HETATM 54541 C C2 B LHG IE 32 . ? 19.290 -41.706 -9.486 0.60 55.98 ? 101 LHG L C2 1 +HETATM 54542 O O2 A LHG IE 32 . ? 20.248 -40.873 -8.964 0.40 56.95 ? 101 LHG L O2 1 +HETATM 54543 O O2 B LHG IE 32 . ? 20.373 -40.882 -9.042 0.60 57.21 ? 101 LHG L O2 1 +HETATM 54544 C C3 A LHG IE 32 . ? 19.848 -42.872 -10.229 0.40 58.31 ? 101 LHG L C3 1 +HETATM 54545 C C3 B LHG IE 32 . ? 19.866 -42.943 -10.171 0.60 58.37 ? 101 LHG L C3 1 +HETATM 54546 O O3 A LHG IE 32 . ? 18.803 -43.753 -10.598 0.40 54.74 ? 101 LHG L O3 1 +HETATM 54547 O O3 B LHG IE 32 . ? 18.788 -43.789 -10.549 0.60 54.81 ? 101 LHG L O3 1 +HETATM 54548 P P A LHG IE 32 . ? 18.888 -44.709 -11.887 0.40 52.43 ? 101 LHG L P 1 +HETATM 54549 P P B LHG IE 32 . ? 18.829 -44.735 -11.850 0.60 52.08 ? 101 LHG L P 1 +HETATM 54550 O O4 A LHG IE 32 . ? 20.260 -45.284 -12.112 0.40 54.35 ? 101 LHG L O4 1 +HETATM 54551 O O4 B LHG IE 32 . ? 20.197 -45.342 -12.068 0.60 54.38 ? 101 LHG L O4 1 +HETATM 54552 O O5 A LHG IE 32 . ? 17.673 -45.588 -11.795 0.40 56.38 ? 101 LHG L O5 1 +HETATM 54553 O O5 B LHG IE 32 . ? 17.577 -45.567 -11.799 0.60 56.39 ? 101 LHG L O5 1 +HETATM 54554 O O6 A LHG IE 32 . ? 18.595 -43.666 -13.061 0.40 63.18 ? 101 LHG L O6 1 +HETATM 54555 O O6 B LHG IE 32 . ? 18.578 -43.672 -13.016 0.60 63.47 ? 101 LHG L O6 1 +HETATM 54556 C C4 A LHG IE 32 . ? 19.576 -43.465 -14.064 0.40 59.02 ? 101 LHG L C4 1 +HETATM 54557 C C4 B LHG IE 32 . ? 19.584 -43.420 -13.980 0.60 59.11 ? 101 LHG L C4 1 +HETATM 54558 C C5 A LHG IE 32 . ? 19.050 -42.329 -14.920 0.40 51.86 ? 101 LHG L C5 1 +HETATM 54559 C C5 B LHG IE 32 . ? 19.046 -42.316 -14.873 0.60 51.76 ? 101 LHG L C5 1 +HETATM 54560 C C6 A LHG IE 32 . ? 20.234 -41.591 -15.534 0.40 55.57 ? 101 LHG L C6 1 +HETATM 54561 C C6 B LHG IE 32 . ? 20.213 -41.578 -15.511 0.60 55.55 ? 101 LHG L C6 1 +HETATM 54562 O O7 A LHG IE 32 . ? 18.276 -42.906 -15.955 0.40 56.07 ? 101 LHG L O7 1 +HETATM 54563 O O7 B LHG IE 32 . ? 18.286 -42.928 -15.894 0.60 56.00 ? 101 LHG L O7 1 +HETATM 54564 C C7 A LHG IE 32 . ? 16.917 -42.417 -16.030 0.40 55.53 ? 101 LHG L C7 1 +HETATM 54565 C C7 B LHG IE 32 . ? 16.934 -42.417 -16.010 0.60 55.51 ? 101 LHG L C7 1 +HETATM 54566 O O9 A LHG IE 32 . ? 16.619 -41.364 -15.508 0.40 58.87 ? 101 LHG L O9 1 +HETATM 54567 O O9 B LHG IE 32 . ? 16.648 -41.338 -15.530 0.60 59.06 ? 101 LHG L O9 1 +HETATM 54568 C C8 A LHG IE 32 . ? 15.891 -43.204 -16.792 0.40 58.45 ? 101 LHG L C8 1 +HETATM 54569 C C8 B LHG IE 32 . ? 15.903 -43.226 -16.752 0.60 58.43 ? 101 LHG L C8 1 +HETATM 54570 C C9 A LHG IE 32 . ? 15.738 -42.588 -18.171 0.40 62.96 ? 101 LHG L C9 1 +HETATM 54571 C C9 B LHG IE 32 . ? 15.774 -42.667 -18.158 0.60 63.12 ? 101 LHG L C9 1 +HETATM 54572 C C10 A LHG IE 32 . ? 17.039 -42.706 -18.937 0.40 56.62 ? 101 LHG L C10 1 +HETATM 54573 C C10 B LHG IE 32 . ? 17.127 -42.639 -18.842 0.60 56.56 ? 101 LHG L C10 1 +HETATM 54574 O O8 A LHG IE 32 . ? 19.768 -40.720 -16.566 0.40 60.47 ? 101 LHG L O8 1 +HETATM 54575 O O8 B LHG IE 32 . ? 19.706 -40.750 -16.555 0.60 60.64 ? 101 LHG L O8 1 +HETATM 54576 C C23 A LHG IE 32 . ? 19.075 -39.528 -16.147 0.40 62.43 ? 101 LHG L C23 1 +HETATM 54577 C C23 B LHG IE 32 . ? 19.123 -39.488 -16.152 0.60 62.57 ? 101 LHG L C23 1 +HETATM 54578 O O10 A LHG IE 32 . ? 19.002 -39.308 -14.947 0.40 61.15 ? 101 LHG L O10 1 +HETATM 54579 O O10 B LHG IE 32 . ? 19.088 -39.228 -14.958 0.60 61.47 ? 101 LHG L O10 1 +HETATM 54580 C C24 A LHG IE 32 . ? 18.459 -38.612 -17.174 0.40 58.18 ? 101 LHG L C24 1 +HETATM 54581 C C24 B LHG IE 32 . ? 18.571 -38.545 -17.192 0.60 58.35 ? 101 LHG L C24 1 +HETATM 54582 C C11 A LHG IE 32 . ? 17.206 -41.486 -19.823 0.40 59.83 ? 101 LHG L C11 1 +HETATM 54583 C C11 B LHG IE 32 . ? 17.184 -41.476 -19.815 0.60 59.88 ? 101 LHG L C11 1 +HETATM 54584 C C12 A LHG IE 32 . ? 18.463 -41.666 -20.655 0.40 59.42 ? 101 LHG L C12 1 +HETATM 54585 C C12 B LHG IE 32 . ? 18.470 -41.594 -20.609 0.60 59.51 ? 101 LHG L C12 1 +HETATM 54586 C C13 A LHG IE 32 . ? 18.799 -40.363 -21.351 0.40 63.19 ? 101 LHG L C13 1 +HETATM 54587 C C13 B LHG IE 32 . ? 18.907 -40.233 -21.107 0.60 63.61 ? 101 LHG L C13 1 +HETATM 54588 C C14 A LHG IE 32 . ? 20.310 -40.213 -21.385 0.40 58.42 ? 101 LHG L C14 1 +HETATM 54589 C C14 B LHG IE 32 . ? 20.401 -40.274 -21.369 0.60 58.43 ? 101 LHG L C14 1 +HETATM 54590 C C15 A LHG IE 32 . ? 20.796 -40.353 -22.815 0.40 49.76 ? 101 LHG L C15 1 +HETATM 54591 C C15 B LHG IE 32 . ? 20.669 -40.156 -22.860 0.60 48.85 ? 101 LHG L C15 1 +HETATM 54592 C C16 A LHG IE 32 . ? 21.652 -39.135 -23.115 0.40 61.84 ? 101 LHG L C16 1 +HETATM 54593 C C16 B LHG IE 32 . ? 21.564 -38.947 -23.068 0.60 62.61 ? 101 LHG L C16 1 +HETATM 54594 C C17 A LHG IE 32 . ? 22.154 -39.196 -24.543 0.40 58.44 ? 101 LHG L C17 1 +HETATM 54595 C C17 B LHG IE 32 . ? 22.308 -39.036 -24.386 0.60 58.80 ? 101 LHG L C17 1 +HETATM 54596 C C18 A LHG IE 32 . ? 21.710 -37.995 -25.342 0.40 56.37 ? 101 LHG L C18 1 +HETATM 54597 C C18 B LHG IE 32 . ? 21.723 -38.097 -25.426 0.60 56.33 ? 101 LHG L C18 1 +HETATM 54598 C C19 A LHG IE 32 . ? 22.716 -37.780 -26.462 0.40 53.60 ? 101 LHG L C19 1 +HETATM 54599 C C19 B LHG IE 32 . ? 22.767 -37.896 -26.512 0.60 53.47 ? 101 LHG L C19 1 +HETATM 54600 C C20 A LHG IE 32 . ? 22.118 -38.082 -27.821 0.40 57.49 ? 101 LHG L C20 1 +HETATM 54601 C C20 B LHG IE 32 . ? 22.177 -38.119 -27.894 0.60 57.66 ? 101 LHG L C20 1 +HETATM 54602 C C21 A LHG IE 32 . ? 23.243 -38.266 -28.836 0.40 53.29 ? 101 LHG L C21 1 +HETATM 54603 C C21 B LHG IE 32 . ? 23.273 -38.111 -28.954 0.60 53.09 ? 101 LHG L C21 1 +HETATM 54604 C C22 A LHG IE 32 . ? 22.709 -38.256 -30.250 0.40 59.54 ? 101 LHG L C22 1 +HETATM 54605 C C22 B LHG IE 32 . ? 22.697 -38.401 -30.322 0.60 59.64 ? 101 LHG L C22 1 +HETATM 54606 C C25 A LHG IE 32 . ? 17.542 -37.567 -16.542 0.40 50.65 ? 101 LHG L C25 1 +HETATM 54607 C C25 B LHG IE 32 . ? 17.586 -37.554 -16.579 0.60 50.58 ? 101 LHG L C25 1 +HETATM 54608 C C26 A LHG IE 32 . ? 16.563 -37.154 -17.631 0.40 60.49 ? 101 LHG L C26 1 +HETATM 54609 C C26 B LHG IE 32 . ? 16.628 -37.148 -17.694 0.60 60.47 ? 101 LHG L C26 1 +HETATM 54610 C C27 A LHG IE 32 . ? 16.215 -35.680 -17.587 0.40 61.46 ? 101 LHG L C27 1 +HETATM 54611 C C27 B LHG IE 32 . ? 16.223 -35.686 -17.652 0.60 61.43 ? 101 LHG L C27 1 +HETATM 54612 C C28 A LHG IE 32 . ? 14.815 -35.479 -17.026 0.40 68.72 ? 101 LHG L C28 1 +HETATM 54613 C C28 B LHG IE 32 . ? 14.800 -35.503 -17.139 0.60 68.95 ? 101 LHG L C28 1 +HETATM 54614 C C29 A LHG IE 32 . ? 14.199 -34.219 -17.620 0.40 61.05 ? 101 LHG L C29 1 +HETATM 54615 C C29 B LHG IE 32 . ? 14.218 -34.194 -17.668 0.60 60.91 ? 101 LHG L C29 1 +HETATM 54616 C C30 A LHG IE 32 . ? 13.226 -33.645 -16.602 0.40 66.62 ? 101 LHG L C30 1 +HETATM 54617 C C30 B LHG IE 32 . ? 13.252 -33.594 -16.653 0.60 66.71 ? 101 LHG L C30 1 +HETATM 54618 C C31 A LHG IE 32 . ? 12.662 -32.330 -17.117 0.40 69.91 ? 101 LHG L C31 1 +HETATM 54619 C C31 B LHG IE 32 . ? 12.705 -32.264 -17.165 0.60 69.92 ? 101 LHG L C31 1 +HETATM 54620 C C32 A LHG IE 32 . ? 11.813 -31.628 -16.057 0.40 60.12 ? 101 LHG L C32 1 +HETATM 54621 C C32 B LHG IE 32 . ? 11.837 -31.567 -16.119 0.60 60.17 ? 101 LHG L C32 1 +HETATM 54622 C C33 A LHG IE 32 . ? 11.182 -30.428 -16.746 0.40 60.99 ? 101 LHG L C33 1 +HETATM 54623 C C33 B LHG IE 32 . ? 11.407 -30.207 -16.652 0.60 59.41 ? 101 LHG L C33 1 +HETATM 54624 C C34 A LHG IE 32 . ? 10.214 -29.651 -15.877 0.40 63.27 ? 101 LHG L C34 1 +HETATM 54625 C C34 B LHG IE 32 . ? 10.195 -29.655 -15.917 0.60 63.21 ? 101 LHG L C34 1 +HETATM 54626 C C35 A LHG IE 32 . ? 9.423 -28.710 -16.767 0.40 71.14 ? 101 LHG L C35 1 +HETATM 54627 C C35 B LHG IE 32 . ? 9.428 -28.696 -16.812 0.60 71.15 ? 101 LHG L C35 1 +HETATM 54628 C C36 A LHG IE 32 . ? 8.214 -28.136 -16.042 0.40 77.80 ? 101 LHG L C36 1 +HETATM 54629 C C36 B LHG IE 32 . ? 8.156 -28.201 -16.139 0.60 77.93 ? 101 LHG L C36 1 +HETATM 54630 C C37 A LHG IE 32 . ? 7.389 -27.319 -17.038 0.40 94.72 ? 101 LHG L C37 1 +HETATM 54631 C C37 B LHG IE 32 . ? 7.356 -27.335 -17.110 0.60 94.81 ? 101 LHG L C37 1 +HETATM 54632 C C38 A LHG IE 32 . ? 5.992 -27.057 -16.515 0.40 92.79 ? 101 LHG L C38 1 +HETATM 54633 C C38 B LHG IE 32 . ? 5.957 -27.071 -16.594 0.60 92.94 ? 101 LHG L C38 1 +HETATM 54634 C C1B . LMT JE 31 . ? 28.775 -31.425 2.314 1.00 120.49 ? 101 LMT M C1B 1 +HETATM 54635 C C2B . LMT JE 31 . ? 28.834 -32.991 2.434 1.00 111.99 ? 101 LMT M C2B 1 +HETATM 54636 C C3B . LMT JE 31 . ? 27.566 -33.596 3.095 1.00 121.38 ? 101 LMT M C3B 1 +HETATM 54637 C C4B . LMT JE 31 . ? 27.228 -32.830 4.401 1.00 125.96 ? 101 LMT M C4B 1 +HETATM 54638 C C5B . LMT JE 31 . ? 27.122 -31.348 4.015 1.00 101.37 ? 101 LMT M C5B 1 +HETATM 54639 C C6B . LMT JE 31 . ? 26.618 -30.532 5.207 1.00 118.38 ? 101 LMT M C6B 1 +HETATM 54640 O O1B . LMT JE 31 . ? 27.967 -30.987 1.237 1.00 102.50 ? 101 LMT M O1B 1 +HETATM 54641 O O2B . LMT JE 31 . ? 29.011 -33.519 1.188 1.00 107.68 ? 101 LMT M O2B 1 +HETATM 54642 O O3B . LMT JE 31 . ? 27.657 -34.971 3.271 1.00 88.72 ? 101 LMT M O3B 1 +HETATM 54643 O "O4'" . LMT JE 31 . ? 26.031 -33.260 4.949 1.00 109.65 ? 101 LMT M "O4'" 1 +HETATM 54644 O O5B . LMT JE 31 . ? 28.351 -30.842 3.516 1.00 118.85 ? 101 LMT M O5B 1 +HETATM 54645 O O6B . LMT JE 31 . ? 27.250 -30.920 6.360 1.00 96.90 ? 101 LMT M O6B 1 +HETATM 54646 C "C1'" . LMT JE 31 . ? 27.452 -28.101 -1.716 1.00 101.24 ? 101 LMT M "C1'" 1 +HETATM 54647 C "C2'" . LMT JE 31 . ? 28.335 -29.303 -2.122 1.00 110.47 ? 101 LMT M "C2'" 1 +HETATM 54648 C "C3'" . LMT JE 31 . ? 28.246 -30.453 -1.081 1.00 107.92 ? 101 LMT M "C3'" 1 +HETATM 54649 C "C4'" . LMT JE 31 . ? 28.436 -29.957 0.372 1.00 98.09 ? 101 LMT M "C4'" 1 +HETATM 54650 C "C5'" . LMT JE 31 . ? 27.493 -28.725 0.497 1.00 116.09 ? 101 LMT M "C5'" 1 +HETATM 54651 C "C6'" . LMT JE 31 . ? 27.354 -28.148 1.881 1.00 94.50 ? 101 LMT M "C6'" 1 +HETATM 54652 O "O1'" . LMT JE 31 . ? 27.686 -27.048 -2.551 1.00 77.88 ? 101 LMT M "O1'" 1 +HETATM 54653 O "O2'" . LMT JE 31 . ? 27.902 -29.795 -3.325 1.00 103.50 ? 101 LMT M "O2'" 1 +HETATM 54654 O "O3'" . LMT JE 31 . ? 29.169 -31.417 -1.388 1.00 109.86 ? 101 LMT M "O3'" 1 +HETATM 54655 O "O5'" . LMT JE 31 . ? 27.840 -27.695 -0.408 1.00 107.97 ? 101 LMT M "O5'" 1 +HETATM 54656 O "O6'" . LMT JE 31 . ? 26.741 -26.930 1.710 1.00 67.68 ? 101 LMT M "O6'" 1 +HETATM 54657 C C1 . LMT JE 31 . ? 26.613 -26.156 -2.770 1.00 75.76 ? 101 LMT M C1 1 +HETATM 54658 C C2 . LMT JE 31 . ? 27.046 -25.369 -3.991 1.00 63.29 ? 101 LMT M C2 1 +HETATM 54659 C C3 . LMT JE 31 . ? 25.960 -24.887 -4.883 1.00 63.63 ? 101 LMT M C3 1 +HETATM 54660 C C4 . LMT JE 31 . ? 26.564 -24.016 -5.952 1.00 63.32 ? 101 LMT M C4 1 +HETATM 54661 C C5 . LMT JE 31 . ? 25.699 -24.070 -7.162 1.00 67.16 ? 101 LMT M C5 1 +HETATM 54662 C C6 . LMT JE 31 . ? 25.343 -22.723 -7.704 1.00 67.21 ? 101 LMT M C6 1 +HETATM 54663 C C7 . LMT JE 31 . ? 24.698 -22.947 -9.034 1.00 76.66 ? 101 LMT M C7 1 +HETATM 54664 C C8 . LMT JE 31 . ? 24.139 -21.690 -9.583 1.00 65.91 ? 101 LMT M C8 1 +HETATM 54665 C C9 . LMT JE 31 . ? 23.414 -21.937 -10.874 1.00 87.84 ? 101 LMT M C9 1 +HETATM 54666 C C10 . LMT JE 31 . ? 22.991 -20.616 -11.441 1.00 75.09 ? 101 LMT M C10 1 +HETATM 54667 C C11 . LMT JE 31 . ? 21.829 -20.781 -12.371 1.00 88.81 ? 101 LMT M C11 1 +HETATM 54668 C C12 . LMT JE 31 . ? 22.238 -21.316 -13.707 1.00 93.33 ? 101 LMT M C12 1 +HETATM 54669 C C10 . UNL KE 30 . ? 28.755 -28.346 -7.926 1.00 77.88 ? 102 UNL M C10 1 +HETATM 54670 C C11 . UNL KE 30 . ? 27.908 -27.226 -8.527 1.00 79.13 ? 102 UNL M C11 1 +HETATM 54671 C C12 . UNL KE 30 . ? 27.575 -27.466 -9.990 1.00 69.01 ? 102 UNL M C12 1 +HETATM 54672 C C13 . UNL KE 30 . ? 26.740 -26.317 -10.553 1.00 78.63 ? 102 UNL M C13 1 +HETATM 54673 C C14 . UNL KE 30 . ? 26.964 -26.114 -12.053 1.00 70.36 ? 102 UNL M C14 1 +HETATM 54674 C C15 . UNL KE 30 . ? 26.157 -24.938 -12.605 1.00 82.48 ? 102 UNL M C15 1 +HETATM 54675 C C16 . UNL KE 30 . ? 26.653 -24.506 -13.984 1.00 70.13 ? 102 UNL M C16 1 +HETATM 54676 C C7 . UNL KE 30 . ? 31.244 -28.255 -5.029 1.00 96.96 ? 102 UNL M C7 1 +HETATM 54677 C C8 . UNL KE 30 . ? 30.277 -28.953 -5.963 1.00 93.26 ? 102 UNL M C8 1 +HETATM 54678 C C9 . UNL KE 30 . ? 29.352 -27.913 -6.588 1.00 86.45 ? 102 UNL M C9 1 +HETATM 54679 CA CA . CA LE 36 . ? 53.479 2.026 -77.765 1.00 104.93 ? 301 CA O CA 1 +HETATM 54680 C C1 . GOL ME 27 . ? 54.338 -19.871 -77.837 1.00 77.78 ? 302 GOL O C1 1 +HETATM 54681 O O1 . GOL ME 27 . ? 54.495 -20.363 -76.534 1.00 99.41 ? 302 GOL O O1 1 +HETATM 54682 C C2 . GOL ME 27 . ? 55.310 -20.627 -78.794 1.00 95.97 ? 302 GOL O C2 1 +HETATM 54683 O O2 . GOL ME 27 . ? 54.677 -21.022 -79.971 1.00 86.27 ? 302 GOL O O2 1 +HETATM 54684 C C3 . GOL ME 27 . ? 56.478 -19.636 -79.063 1.00 113.18 ? 302 GOL O C3 1 +HETATM 54685 O O3 . GOL ME 27 . ? 55.923 -18.455 -79.582 1.00 86.46 ? 302 GOL O O3 1 +HETATM 54686 C C1 . GOL NE 27 . ? 6.220 -21.204 -63.207 1.00 82.06 ? 303 GOL O C1 1 +HETATM 54687 O O1 . GOL NE 27 . ? 7.153 -22.142 -63.636 1.00 107.16 ? 303 GOL O O1 1 +HETATM 54688 C C2 . GOL NE 27 . ? 5.894 -21.538 -61.771 1.00 95.37 ? 303 GOL O C2 1 +HETATM 54689 O O2 . GOL NE 27 . ? 5.517 -20.404 -61.089 1.00 86.00 ? 303 GOL O O2 1 +HETATM 54690 C C3 . GOL NE 27 . ? 4.742 -22.574 -61.889 1.00 108.63 ? 303 GOL O C3 1 +HETATM 54691 O O3 . GOL NE 27 . ? 4.629 -23.189 -60.633 1.00 97.19 ? 303 GOL O O3 1 +HETATM 54692 C C1B . LMT OE 31 . ? 17.934 -6.911 -36.039 1.00 180.76 ? 101 LMT T C1B 1 +HETATM 54693 C C2B . LMT OE 31 . ? 16.490 -6.341 -35.944 1.00 182.39 ? 101 LMT T C2B 1 +HETATM 54694 C C3B . LMT OE 31 . ? 15.447 -7.379 -36.434 1.00 180.80 ? 101 LMT T C3B 1 +HETATM 54695 C C4B . LMT OE 31 . ? 15.832 -7.906 -37.841 1.00 192.86 ? 101 LMT T C4B 1 +HETATM 54696 C C5B . LMT OE 31 . ? 17.275 -8.450 -37.739 1.00 182.43 ? 101 LMT T C5B 1 +HETATM 54697 C C6B . LMT OE 31 . ? 17.699 -9.047 -39.077 1.00 154.65 ? 101 LMT T C6B 1 +HETATM 54698 O O1B . LMT OE 31 . ? 18.147 -7.857 -35.025 1.00 185.52 ? 101 LMT T O1B 1 +HETATM 54699 O O2B . LMT OE 31 . ? 16.261 -5.969 -34.630 1.00 160.68 ? 101 LMT T O2B 1 +HETATM 54700 O O3B . LMT OE 31 . ? 14.161 -6.898 -36.382 1.00 152.46 ? 101 LMT T O3B 1 +HETATM 54701 O "O4'" . LMT OE 31 . ? 14.965 -8.912 -38.268 1.00 164.83 ? 101 LMT T "O4'" 1 +HETATM 54702 O O5B . LMT OE 31 . ? 18.198 -7.463 -37.308 1.00 191.28 ? 101 LMT T O5B 1 +HETATM 54703 O O6B . LMT OE 31 . ? 16.604 -9.154 -39.916 1.00 131.02 ? 101 LMT T O6B 1 +HETATM 54704 C "C1'" . LMT OE 31 . ? 20.546 -8.455 -31.664 1.00 137.85 ? 101 LMT T "C1'" 1 +HETATM 54705 C "C2'" . LMT OE 31 . ? 20.031 -7.014 -31.866 1.00 135.07 ? 101 LMT T "C2'" 1 +HETATM 54706 C "C3'" . LMT OE 31 . ? 18.891 -6.962 -32.923 1.00 146.88 ? 101 LMT T "C3'" 1 +HETATM 54707 C "C4'" . LMT OE 31 . ? 19.295 -7.716 -34.203 1.00 169.98 ? 101 LMT T "C4'" 1 +HETATM 54708 C "C5'" . LMT OE 31 . ? 19.751 -9.121 -33.717 1.00 155.22 ? 101 LMT T "C5'" 1 +HETATM 54709 C "C6'" . LMT OE 31 . ? 19.984 -10.137 -34.810 1.00 123.20 ? 101 LMT T "C6'" 1 +HETATM 54710 O "O1'" . LMT OE 31 . ? 21.673 -8.439 -30.893 1.00 120.36 ? 101 LMT T "O1'" 1 +HETATM 54711 O "O2'" . LMT OE 31 . ? 19.547 -6.559 -30.659 1.00 129.91 ? 101 LMT T "O2'" 1 +HETATM 54712 O "O3'" . LMT OE 31 . ? 18.574 -5.666 -33.230 1.00 155.42 ? 101 LMT T "O3'" 1 +HETATM 54713 O "O5'" . LMT OE 31 . ? 20.905 -9.014 -32.920 1.00 144.94 ? 101 LMT T "O5'" 1 +HETATM 54714 O "O6'" . LMT OE 31 . ? 21.324 -10.432 -34.762 1.00 101.09 ? 101 LMT T "O6'" 1 +HETATM 54715 C C1 . LMT OE 31 . ? 22.044 -9.694 -30.383 1.00 99.84 ? 101 LMT T C1 1 +HETATM 54716 C C2 . LMT OE 31 . ? 22.063 -9.481 -28.903 1.00 91.61 ? 101 LMT T C2 1 +HETATM 54717 C C3 . LMT OE 31 . ? 22.890 -10.426 -28.107 1.00 77.09 ? 101 LMT T C3 1 +HETATM 54718 C C4 . LMT OE 31 . ? 22.035 -11.626 -27.846 1.00 79.06 ? 101 LMT T C4 1 +HETATM 54719 C C5 . LMT OE 31 . ? 22.750 -12.542 -26.927 1.00 87.52 ? 101 LMT T C5 1 +HETATM 54720 C C6 . LMT OE 31 . ? 22.387 -13.964 -27.178 1.00 87.04 ? 101 LMT T C6 1 +HETATM 54721 C C7 . LMT OE 31 . ? 22.617 -14.770 -25.933 1.00 89.57 ? 101 LMT T C7 1 +HETATM 54722 C C8 . LMT OE 31 . ? 22.286 -16.195 -26.230 1.00 95.53 ? 101 LMT T C8 1 +HETATM 54723 C C9 . LMT OE 31 . ? 22.826 -17.172 -25.241 1.00 93.92 ? 101 LMT T C9 1 +HETATM 54724 C C10 . LMT OE 31 . ? 21.742 -17.411 -24.227 1.00 97.60 ? 101 LMT T C10 1 +HETATM 54725 C C11 . LMT OE 31 . ? 20.588 -18.121 -24.862 1.00 82.08 ? 101 LMT T C11 1 +HETATM 54726 C C12 . LMT OE 31 . ? 20.890 -19.573 -25.077 1.00 84.09 ? 101 LMT T C12 1 +HETATM 54727 C C1 . BCR PE 25 . ? 38.225 -33.482 -23.883 1.00 65.97 ? 102 BCR T C1 1 +HETATM 54728 C C2 . BCR PE 25 . ? 38.561 -34.937 -24.197 1.00 68.11 ? 102 BCR T C2 1 +HETATM 54729 C C3 . BCR PE 25 . ? 40.007 -35.154 -24.582 1.00 69.76 ? 102 BCR T C3 1 +HETATM 54730 C C4 . BCR PE 25 . ? 40.926 -34.661 -23.492 1.00 73.00 ? 102 BCR T C4 1 +HETATM 54731 C C5 . BCR PE 25 . ? 40.626 -33.213 -23.188 1.00 73.85 ? 102 BCR T C5 1 +HETATM 54732 C C6 . BCR PE 25 . ? 39.404 -32.662 -23.364 1.00 62.33 ? 102 BCR T C6 1 +HETATM 54733 C C7 . BCR PE 25 . ? 39.261 -31.222 -22.992 1.00 56.90 ? 102 BCR T C7 1 +HETATM 54734 C C8 . BCR PE 25 . ? 38.138 -30.481 -23.020 1.00 67.25 ? 102 BCR T C8 1 +HETATM 54735 C C9 . BCR PE 25 . ? 38.099 -29.055 -22.605 1.00 72.10 ? 102 BCR T C9 1 +HETATM 54736 C C10 . BCR PE 25 . ? 36.945 -28.363 -22.706 1.00 59.53 ? 102 BCR T C10 1 +HETATM 54737 C C11 . BCR PE 25 . ? 36.851 -26.946 -22.337 1.00 69.38 ? 102 BCR T C11 1 +HETATM 54738 C C33 . BCR PE 25 . ? 41.775 -32.410 -22.660 1.00 63.15 ? 102 BCR T C33 1 +HETATM 54739 C C31 . BCR PE 25 . ? 37.157 -33.553 -22.794 1.00 55.45 ? 102 BCR T C31 1 +HETATM 54740 C C32 . BCR PE 25 . ? 37.669 -32.872 -25.170 1.00 65.36 ? 102 BCR T C32 1 +HETATM 54741 C C34 . BCR PE 25 . ? 39.332 -28.404 -22.037 1.00 62.01 ? 102 BCR T C34 1 +HETATM 54742 C C12 . BCR PE 25 . ? 35.715 -26.281 -22.562 1.00 65.54 ? 102 BCR T C12 1 +HETATM 54743 C C13 . BCR PE 25 . ? 35.552 -24.837 -22.273 1.00 86.28 ? 102 BCR T C13 1 +HETATM 54744 C C14 . BCR PE 25 . ? 34.473 -24.286 -22.855 1.00 56.39 ? 102 BCR T C14 1 +HETATM 54745 C C15 . BCR PE 25 . ? 34.007 -22.903 -22.899 1.00 63.91 ? 102 BCR T C15 1 +HETATM 54746 C C16 . BCR PE 25 . ? 32.773 -22.467 -22.650 1.00 56.55 ? 102 BCR T C16 1 +HETATM 54747 C C17 . BCR PE 25 . ? 32.567 -21.042 -22.908 1.00 56.49 ? 102 BCR T C17 1 +HETATM 54748 C C18 . BCR PE 25 . ? 31.334 -20.514 -23.035 1.00 60.41 ? 102 BCR T C18 1 +HETATM 54749 C C19 . BCR PE 25 . ? 31.201 -19.082 -23.391 1.00 55.89 ? 102 BCR T C19 1 +HETATM 54750 C C20 . BCR PE 25 . ? 30.093 -18.331 -23.366 1.00 52.46 ? 102 BCR T C20 1 +HETATM 54751 C C21 . BCR PE 25 . ? 30.240 -16.947 -23.863 1.00 54.52 ? 102 BCR T C21 1 +HETATM 54752 C C22 . BCR PE 25 . ? 29.238 -16.084 -24.178 1.00 57.50 ? 102 BCR T C22 1 +HETATM 54753 C C23 . BCR PE 25 . ? 29.568 -14.865 -24.670 1.00 50.81 ? 102 BCR T C23 1 +HETATM 54754 C C24 . BCR PE 25 . ? 28.682 -13.896 -24.995 1.00 49.16 ? 102 BCR T C24 1 +HETATM 54755 C C25 . BCR PE 25 . ? 29.083 -12.564 -25.555 1.00 59.56 ? 102 BCR T C25 1 +HETATM 54756 C C26 . BCR PE 25 . ? 30.008 -11.777 -24.942 1.00 46.79 ? 102 BCR T C26 1 +HETATM 54757 C C27 . BCR PE 25 . ? 30.430 -10.432 -25.497 1.00 50.12 ? 102 BCR T C27 1 +HETATM 54758 C C28 . BCR PE 25 . ? 30.183 -10.351 -26.988 1.00 52.80 ? 102 BCR T C28 1 +HETATM 54759 C C29 . BCR PE 25 . ? 28.720 -10.663 -27.228 1.00 55.14 ? 102 BCR T C29 1 +HETATM 54760 C C30 . BCR PE 25 . ? 28.410 -12.117 -26.867 1.00 63.62 ? 102 BCR T C30 1 +HETATM 54761 C C35 . BCR PE 25 . ? 36.520 -24.067 -21.397 1.00 60.42 ? 102 BCR T C35 1 +HETATM 54762 C C36 . BCR PE 25 . ? 30.118 -21.390 -22.881 1.00 55.49 ? 102 BCR T C36 1 +HETATM 54763 C C37 . BCR PE 25 . ? 27.785 -16.451 -24.009 1.00 47.26 ? 102 BCR T C37 1 +HETATM 54764 C C38 . BCR PE 25 . ? 30.684 -12.157 -23.650 1.00 47.55 ? 102 BCR T C38 1 +HETATM 54765 C C39 . BCR PE 25 . ? 28.924 -13.038 -27.956 1.00 56.50 ? 102 BCR T C39 1 +HETATM 54766 C C40 . BCR PE 25 . ? 26.886 -12.239 -26.805 1.00 45.77 ? 102 BCR T C40 1 +HETATM 54767 FE FE . HEC QE 40 . ? 22.248 -45.239 -86.193 1.00 50.26 ? 201 HEC V FE 1 +HETATM 54768 C CHA . HEC QE 40 . ? 21.129 -42.255 -87.541 1.00 49.67 ? 201 HEC V CHA 1 +HETATM 54769 C CHB . HEC QE 40 . ? 19.819 -46.929 -87.798 1.00 57.49 ? 201 HEC V CHB 1 +HETATM 54770 C CHC . HEC QE 40 . ? 23.547 -48.225 -85.038 1.00 52.64 ? 201 HEC V CHC 1 +HETATM 54771 C CHD . HEC QE 40 . ? 24.456 -43.559 -84.201 1.00 52.87 ? 201 HEC V CHD 1 +HETATM 54772 N NA . HEC QE 40 . ? 20.789 -44.699 -87.435 1.00 51.16 ? 201 HEC V NA 1 +HETATM 54773 C C1A . HEC QE 40 . ? 20.456 -43.416 -87.833 1.00 61.91 ? 201 HEC V C1A 1 +HETATM 54774 C C2A . HEC QE 40 . ? 19.252 -43.494 -88.628 1.00 53.84 ? 201 HEC V C2A 1 +HETATM 54775 C C3A . HEC QE 40 . ? 18.882 -44.778 -88.697 1.00 62.91 ? 201 HEC V C3A 1 +HETATM 54776 C C4A . HEC QE 40 . ? 19.844 -45.556 -87.946 1.00 53.77 ? 201 HEC V C4A 1 +HETATM 54777 C CMA . HEC QE 40 . ? 17.654 -45.344 -89.440 1.00 49.65 ? 201 HEC V CMA 1 +HETATM 54778 C CAA . HEC QE 40 . ? 18.540 -42.284 -89.247 1.00 50.62 ? 201 HEC V CAA 1 +HETATM 54779 C CBA . HEC QE 40 . ? 17.521 -41.791 -88.231 1.00 47.99 ? 201 HEC V CBA 1 +HETATM 54780 C CGA . HEC QE 40 . ? 16.699 -40.701 -88.858 1.00 54.60 ? 201 HEC V CGA 1 +HETATM 54781 O O1A . HEC QE 40 . ? 17.017 -40.306 -90.004 1.00 59.11 ? 201 HEC V O1A 1 +HETATM 54782 O O2A . HEC QE 40 . ? 15.742 -40.216 -88.211 1.00 55.98 ? 201 HEC V O2A 1 +HETATM 54783 N NB . HEC QE 40 . ? 21.770 -47.230 -86.369 1.00 52.04 ? 201 HEC V NB 1 +HETATM 54784 C C1B . HEC QE 40 . ? 20.743 -47.703 -87.139 1.00 47.91 ? 201 HEC V C1B 1 +HETATM 54785 C C2B . HEC QE 40 . ? 20.816 -49.146 -87.177 1.00 56.10 ? 201 HEC V C2B 1 +HETATM 54786 C C3B . HEC QE 40 . ? 21.847 -49.528 -86.399 1.00 42.59 ? 201 HEC V C3B 1 +HETATM 54787 C C4B . HEC QE 40 . ? 22.476 -48.314 -85.898 1.00 56.93 ? 201 HEC V C4B 1 +HETATM 54788 C CMB . HEC QE 40 . ? 19.780 -50.033 -87.925 1.00 51.43 ? 201 HEC V CMB 1 +HETATM 54789 C CAB . HEC QE 40 . ? 22.310 -50.968 -86.101 1.00 51.68 ? 201 HEC V CAB 1 +HETATM 54790 C CBB . HEC QE 40 . ? 22.678 -51.705 -87.426 1.00 49.21 ? 201 HEC V CBB 1 +HETATM 54791 N NC . HEC QE 40 . ? 23.707 -45.778 -84.852 1.00 50.63 ? 201 HEC V NC 1 +HETATM 54792 C C1C . HEC QE 40 . ? 24.093 -47.067 -84.533 1.00 55.94 ? 201 HEC V C1C 1 +HETATM 54793 C C2C . HEC QE 40 . ? 25.246 -47.001 -83.638 1.00 49.09 ? 201 HEC V C2C 1 +HETATM 54794 C C3C . HEC QE 40 . ? 25.506 -45.704 -83.360 1.00 55.93 ? 201 HEC V C3C 1 +HETATM 54795 C C4C . HEC QE 40 . ? 24.536 -44.921 -84.146 1.00 50.39 ? 201 HEC V C4C 1 +HETATM 54796 C CMC . HEC QE 40 . ? 25.935 -48.249 -83.044 1.00 44.52 ? 201 HEC V CMC 1 +HETATM 54797 C CAC . HEC QE 40 . ? 26.586 -45.126 -82.369 1.00 42.12 ? 201 HEC V CAC 1 +HETATM 54798 C CBC . HEC QE 40 . ? 28.058 -45.554 -82.552 1.00 44.44 ? 201 HEC V CBC 1 +HETATM 54799 N ND . HEC QE 40 . ? 22.686 -43.196 -85.885 1.00 54.26 ? 201 HEC V ND 1 +HETATM 54800 C C1D . HEC QE 40 . ? 23.736 -42.769 -85.079 1.00 49.80 ? 201 HEC V C1D 1 +HETATM 54801 C C2D . HEC QE 40 . ? 23.927 -41.350 -85.275 1.00 46.79 ? 201 HEC V C2D 1 +HETATM 54802 C C3D . HEC QE 40 . ? 22.879 -40.970 -86.306 1.00 53.91 ? 201 HEC V C3D 1 +HETATM 54803 C C4D . HEC QE 40 . ? 22.163 -42.168 -86.645 1.00 53.48 ? 201 HEC V C4D 1 +HETATM 54804 C CMD . HEC QE 40 . ? 24.955 -40.404 -84.616 1.00 40.66 ? 201 HEC V CMD 1 +HETATM 54805 C CAD . HEC QE 40 . ? 22.664 -39.592 -86.908 1.00 50.76 ? 201 HEC V CAD 1 +HETATM 54806 C CBD . HEC QE 40 . ? 23.504 -39.662 -88.169 1.00 45.20 ? 201 HEC V CBD 1 +HETATM 54807 C CGD . HEC QE 40 . ? 23.374 -38.334 -88.868 1.00 58.49 ? 201 HEC V CGD 1 +HETATM 54808 O O1D . HEC QE 40 . ? 22.336 -38.076 -89.523 1.00 53.08 ? 201 HEC V O1D 1 +HETATM 54809 O O2D . HEC QE 40 . ? 24.327 -37.530 -88.760 1.00 56.43 ? 201 HEC V O2D 1 +HETATM 54810 C C1 . HTG RE 34 . ? 36.761 -45.221 -96.391 1.00 122.66 ? 202 HTG V C1 1 +HETATM 54811 C C2 . HTG RE 34 . ? 37.326 -45.770 -95.088 1.00 122.19 ? 202 HTG V C2 1 +HETATM 54812 O O2 . HTG RE 34 . ? 38.749 -45.609 -95.058 1.00 130.52 ? 202 HTG V O2 1 +HETATM 54813 C C3 . HTG RE 34 . ? 36.954 -47.241 -94.981 1.00 120.24 ? 202 HTG V C3 1 +HETATM 54814 O O3 . HTG RE 34 . ? 37.534 -47.805 -93.800 1.00 104.69 ? 202 HTG V O3 1 +HETATM 54815 C C4 . HTG RE 34 . ? 35.435 -47.347 -94.930 1.00 110.66 ? 202 HTG V C4 1 +HETATM 54816 O O4 . HTG RE 34 . ? 35.047 -48.727 -94.875 1.00 83.80 ? 202 HTG V O4 1 +HETATM 54817 C C5 . HTG RE 34 . ? 34.793 -46.658 -96.138 1.00 115.40 ? 202 HTG V C5 1 +HETATM 54818 O O5 . HTG RE 34 . ? 35.334 -45.351 -96.413 1.00 123.73 ? 202 HTG V O5 1 +HETATM 54819 C C6 . HTG RE 34 . ? 33.295 -46.503 -95.904 1.00 83.44 ? 202 HTG V C6 1 +HETATM 54820 O O6 . HTG RE 34 . ? 32.748 -45.674 -96.939 1.00 111.28 ? 202 HTG V O6 1 +HETATM 54821 C C1 A GOL SE 27 . ? 18.406 -41.475 -70.998 0.40 77.06 ? 203 GOL V C1 1 +HETATM 54822 C C1 B GOL SE 27 . ? 18.447 -41.368 -71.107 0.60 77.70 ? 203 GOL V C1 1 +HETATM 54823 O O1 A GOL SE 27 . ? 19.452 -41.222 -70.030 0.40 63.12 ? 203 GOL V O1 1 +HETATM 54824 O O1 B GOL SE 27 . ? 19.496 -41.122 -70.161 0.60 63.72 ? 203 GOL V O1 1 +HETATM 54825 C C2 A GOL SE 27 . ? 18.474 -40.422 -72.194 0.40 77.06 ? 203 GOL V C2 1 +HETATM 54826 C C2 B GOL SE 27 . ? 18.505 -40.302 -72.272 0.60 77.31 ? 203 GOL V C2 1 +HETATM 54827 O O2 A GOL SE 27 . ? 19.497 -40.719 -73.104 0.40 74.92 ? 203 GOL V O2 1 +HETATM 54828 O O2 B GOL SE 27 . ? 19.593 -40.507 -73.123 0.60 74.93 ? 203 GOL V O2 1 +HETATM 54829 C C3 A GOL SE 27 . ? 17.052 -40.473 -72.861 0.40 70.67 ? 203 GOL V C3 1 +HETATM 54830 C C3 B GOL SE 27 . ? 17.136 -40.445 -73.027 0.60 70.83 ? 203 GOL V C3 1 +HETATM 54831 O O3 A GOL SE 27 . ? 16.459 -39.194 -72.755 0.40 60.65 ? 203 GOL V O3 1 +HETATM 54832 O O3 B GOL SE 27 . ? 16.397 -39.261 -72.818 0.60 60.50 ? 203 GOL V O3 1 +HETATM 54833 C C10 . UNL TE 30 . ? -18.476 -64.320 -46.687 1.00 92.42 ? 101 UNL X C10 1 +HETATM 54834 C C11 . UNL TE 30 . ? -18.229 -65.588 -45.885 1.00 94.10 ? 101 UNL X C11 1 +HETATM 54835 C C12 . UNL TE 30 . ? -17.541 -65.301 -44.551 1.00 77.72 ? 101 UNL X C12 1 +HETATM 54836 C C13 . UNL TE 30 . ? -16.055 -65.600 -44.694 1.00 71.90 ? 101 UNL X C13 1 +HETATM 54837 C C14 . UNL TE 30 . ? -15.434 -66.120 -43.410 1.00 64.96 ? 101 UNL X C14 1 +HETATM 54838 C C15 . UNL TE 30 . ? -15.560 -65.071 -42.323 1.00 65.73 ? 101 UNL X C15 1 +HETATM 54839 C C16 . UNL TE 30 . ? -14.664 -65.397 -41.133 1.00 68.66 ? 101 UNL X C16 1 +HETATM 54840 C C17 . UNL TE 30 . ? -14.820 -64.297 -40.093 1.00 70.25 ? 101 UNL X C17 1 +HETATM 54841 C C18 . UNL TE 30 . ? -13.974 -64.555 -38.850 1.00 67.38 ? 101 UNL X C18 1 +HETATM 54842 C C19 . UNL TE 30 . ? -13.997 -63.327 -37.953 1.00 65.55 ? 101 UNL X C19 1 +HETATM 54843 C C20 . UNL TE 30 . ? -13.610 -63.696 -36.532 1.00 69.50 ? 101 UNL X C20 1 +HETATM 54844 C C21 . UNL TE 30 . ? -13.885 -62.539 -35.584 1.00 73.73 ? 101 UNL X C21 1 +HETATM 54845 C C22 . UNL TE 30 . ? -13.324 -62.846 -34.211 1.00 86.14 ? 101 UNL X C22 1 +HETATM 54846 C C7 . UNL TE 30 . ? -20.957 -64.238 -48.891 1.00 112.26 ? 101 UNL X C7 1 +HETATM 54847 C C8 . UNL TE 30 . ? -19.965 -65.297 -48.473 1.00 108.42 ? 101 UNL X C8 1 +HETATM 54848 C C9 . UNL TE 30 . ? -18.631 -64.629 -48.170 1.00 92.09 ? 101 UNL X C9 1 +HETATM 54849 O O7 . UNL TE 30 . ? -21.877 -64.470 -49.999 1.00 112.39 ? 101 UNL X O7 1 +HETATM 54850 O O9 . UNL TE 30 . ? -20.998 -63.172 -48.298 1.00 107.61 ? 101 UNL X O9 1 +HETATM 54851 C C1 . BCR UE 25 . ? 36.042 -84.593 -65.181 1.00 84.26 ? 101 BCR Y C1 1 +HETATM 54852 C C2 . BCR UE 25 . ? 36.337 -84.872 -66.655 1.00 71.14 ? 101 BCR Y C2 1 +HETATM 54853 C C3 . BCR UE 25 . ? 36.097 -83.615 -67.479 1.00 75.21 ? 101 BCR Y C3 1 +HETATM 54854 C C4 . BCR UE 25 . ? 37.082 -82.528 -67.086 1.00 63.29 ? 101 BCR Y C4 1 +HETATM 54855 C C5 . BCR UE 25 . ? 37.182 -82.408 -65.582 1.00 70.81 ? 101 BCR Y C5 1 +HETATM 54856 C C6 . BCR UE 25 . ? 36.725 -83.318 -64.709 1.00 70.31 ? 101 BCR Y C6 1 +HETATM 54857 C C7 . BCR UE 25 . ? 36.915 -83.026 -63.251 1.00 71.19 ? 101 BCR Y C7 1 +HETATM 54858 C C8 . BCR UE 25 . ? 35.911 -83.121 -62.369 1.00 62.36 ? 101 BCR Y C8 1 +HETATM 54859 C C9 . BCR UE 25 . ? 35.975 -82.836 -60.919 1.00 63.89 ? 101 BCR Y C9 1 +HETATM 54860 C C10 . BCR UE 25 . ? 34.827 -82.960 -60.223 1.00 63.55 ? 101 BCR Y C10 1 +HETATM 54861 C C11 . BCR UE 25 . ? 34.666 -82.665 -58.798 1.00 66.03 ? 101 BCR Y C11 1 +HETATM 54862 C C33 . BCR UE 25 . ? 37.850 -81.182 -65.041 1.00 80.06 ? 101 BCR Y C33 1 +HETATM 54863 C C31 . BCR UE 25 . ? 36.528 -85.769 -64.344 1.00 70.55 ? 101 BCR Y C31 1 +HETATM 54864 C C32 . BCR UE 25 . ? 34.529 -84.436 -65.054 1.00 92.41 ? 101 BCR Y C32 1 +HETATM 54865 C C34 . BCR UE 25 . ? 37.249 -82.408 -60.252 1.00 62.86 ? 101 BCR Y C34 1 +HETATM 54866 C C12 . BCR UE 25 . ? 33.414 -82.703 -58.335 1.00 61.97 ? 101 BCR Y C12 1 +HETATM 54867 C C13 . BCR UE 25 . ? 33.024 -82.355 -56.943 1.00 69.66 ? 101 BCR Y C13 1 +HETATM 54868 C C14 . BCR UE 25 . ? 31.726 -82.446 -56.576 1.00 57.19 ? 101 BCR Y C14 1 +HETATM 54869 C C15 . BCR UE 25 . ? 31.262 -82.050 -55.253 1.00 62.18 ? 101 BCR Y C15 1 +HETATM 54870 C C16 . BCR UE 25 . ? 29.954 -81.911 -55.019 1.00 55.99 ? 101 BCR Y C16 1 +HETATM 54871 C C17 . BCR UE 25 . ? 29.520 -81.450 -53.700 1.00 62.39 ? 101 BCR Y C17 1 +HETATM 54872 C C18 . BCR UE 25 . ? 28.216 -81.273 -53.412 1.00 64.19 ? 101 BCR Y C18 1 +HETATM 54873 C C19 . BCR UE 25 . ? 27.853 -80.768 -52.062 1.00 59.95 ? 101 BCR Y C19 1 +HETATM 54874 C C20 . BCR UE 25 . ? 26.628 -80.368 -51.678 1.00 62.35 ? 101 BCR Y C20 1 +HETATM 54875 C C21 . BCR UE 25 . ? 26.468 -79.906 -50.292 1.00 59.42 ? 101 BCR Y C21 1 +HETATM 54876 C C22 . BCR UE 25 . ? 25.300 -79.625 -49.662 1.00 75.77 ? 101 BCR Y C22 1 +HETATM 54877 C C23 . BCR UE 25 . ? 25.380 -79.231 -48.363 1.00 61.71 ? 101 BCR Y C23 1 +HETATM 54878 C C24 . BCR UE 25 . ? 24.402 -79.477 -47.477 1.00 62.68 ? 101 BCR Y C24 1 +HETATM 54879 C C25 . BCR UE 25 . ? 24.466 -79.130 -46.036 1.00 66.50 ? 101 BCR Y C25 1 +HETATM 54880 C C26 . BCR UE 25 . ? 25.115 -79.956 -45.184 1.00 74.85 ? 101 BCR Y C26 1 +HETATM 54881 C C27 . BCR UE 25 . ? 25.222 -79.686 -43.702 1.00 70.56 ? 101 BCR Y C27 1 +HETATM 54882 C C28 . BCR UE 25 . ? 25.061 -78.201 -43.434 1.00 87.57 ? 101 BCR Y C28 1 +HETATM 54883 C C29 . BCR UE 25 . ? 23.755 -77.741 -44.053 1.00 71.36 ? 101 BCR Y C29 1 +HETATM 54884 C C30 . BCR UE 25 . ? 23.775 -77.868 -45.564 1.00 74.27 ? 101 BCR Y C30 1 +HETATM 54885 C C35 . BCR UE 25 . ? 34.056 -81.834 -55.989 1.00 62.70 ? 101 BCR Y C35 1 +HETATM 54886 C C36 . BCR UE 25 . ? 27.187 -81.610 -54.461 1.00 58.93 ? 101 BCR Y C36 1 +HETATM 54887 C C37 . BCR UE 25 . ? 23.972 -79.793 -50.362 1.00 54.81 ? 101 BCR Y C37 1 +HETATM 54888 C C38 . BCR UE 25 . ? 25.784 -81.212 -45.668 1.00 65.13 ? 101 BCR Y C38 1 +HETATM 54889 C C39 . BCR UE 25 . ? 24.495 -76.665 -46.165 1.00 69.47 ? 101 BCR Y C39 1 +HETATM 54890 C C40 . BCR UE 25 . ? 22.328 -77.942 -46.034 1.00 73.13 ? 101 BCR Y C40 1 +HETATM 54891 FE FE A FE2 VE 21 . ? 16.273 -1.052 19.063 0.40 55.31 ? 401 FE2 a FE 1 +HETATM 54892 FE FE B FE2 VE 21 . ? 16.266 -1.084 19.071 0.60 55.30 ? 401 FE2 a FE 1 +HETATM 54893 CL CL A CL WE 22 . ? -1.069 18.186 -16.243 0.40 50.01 ? 402 CL a CL 1 +HETATM 54894 CL CL B CL WE 22 . ? -1.063 18.158 -16.144 0.60 50.00 ? 402 CL a CL 1 +HETATM 54895 CL CL A CL XE 22 . ? -11.131 28.235 -16.888 0.40 54.52 ? 403 CL a CL 1 +HETATM 54896 CL CL B CL XE 22 . ? -11.152 28.211 -16.854 0.60 54.44 ? 403 CL a CL 1 +HETATM 54897 MG MG A CLA YE 23 . ? 7.974 16.369 -1.193 0.40 47.89 ? 404 CLA a MG 1 +HETATM 54898 MG MG B CLA YE 23 . ? 8.012 16.352 -1.209 0.60 47.94 ? 404 CLA a MG 1 +HETATM 54899 C CHA A CLA YE 23 . ? 5.068 14.862 -0.056 0.40 46.55 ? 404 CLA a CHA 1 +HETATM 54900 C CHA B CLA YE 23 . ? 5.101 14.837 -0.049 0.60 46.53 ? 404 CLA a CHA 1 +HETATM 54901 C CHB A CLA YE 23 . ? 9.713 14.371 0.968 0.40 43.88 ? 404 CLA a CHB 1 +HETATM 54902 C CHB B CLA YE 23 . ? 9.771 14.394 0.949 0.60 43.73 ? 404 CLA a CHB 1 +HETATM 54903 C CHC A CLA YE 23 . ? 10.777 16.962 -3.055 0.40 45.70 ? 404 CLA a CHC 1 +HETATM 54904 C CHC B CLA YE 23 . ? 10.819 16.971 -3.093 0.60 45.76 ? 404 CLA a CHC 1 +HETATM 54905 C CHD A CLA YE 23 . ? 5.964 17.970 -3.835 0.40 42.91 ? 404 CLA a CHD 1 +HETATM 54906 C CHD B CLA YE 23 . ? 5.981 17.970 -3.830 0.60 42.83 ? 404 CLA a CHD 1 +HETATM 54907 N NA A CLA YE 23 . ? 7.500 14.851 0.153 0.40 46.57 ? 404 CLA a NA 1 +HETATM 54908 N NA B CLA YE 23 . ? 7.544 14.850 0.147 0.60 46.61 ? 404 CLA a NA 1 +HETATM 54909 C C1A A CLA YE 23 . ? 6.354 14.486 0.600 0.40 46.46 ? 404 CLA a C1A 1 +HETATM 54910 C C1A B CLA YE 23 . ? 6.398 14.477 0.597 0.60 46.43 ? 404 CLA a C1A 1 +HETATM 54911 C C2A A CLA YE 23 . ? 6.340 13.513 1.738 0.40 47.40 ? 404 CLA a C2A 1 +HETATM 54912 C C2A B CLA YE 23 . ? 6.398 13.531 1.751 0.60 47.44 ? 404 CLA a C2A 1 +HETATM 54913 C C3A A CLA YE 23 . ? 7.795 13.458 2.117 0.40 52.35 ? 404 CLA a C3A 1 +HETATM 54914 C C3A B CLA YE 23 . ? 7.862 13.475 2.102 0.60 52.48 ? 404 CLA a C3A 1 +HETATM 54915 C C4A A CLA YE 23 . ? 8.378 14.272 0.999 0.40 51.03 ? 404 CLA a C4A 1 +HETATM 54916 C C4A B CLA YE 23 . ? 8.432 14.289 0.984 0.60 51.19 ? 404 CLA a C4A 1 +HETATM 54917 C CMA A CLA YE 23 . ? 7.908 14.359 3.363 0.40 47.57 ? 404 CLA a CMA 1 +HETATM 54918 C CMA B CLA YE 23 . ? 8.025 14.358 3.341 0.60 47.68 ? 404 CLA a CMA 1 +HETATM 54919 C CAA A CLA YE 23 . ? 6.169 12.171 0.994 0.40 53.21 ? 404 CLA a CAA 1 +HETATM 54920 C CAA B CLA YE 23 . ? 6.184 12.180 1.058 0.60 53.43 ? 404 CLA a CAA 1 +HETATM 54921 C CBA A CLA YE 23 . ? 6.219 10.898 1.844 0.40 59.03 ? 404 CLA a CBA 1 +HETATM 54922 C CBA B CLA YE 23 . ? 6.270 10.951 1.965 0.60 59.47 ? 404 CLA a CBA 1 +HETATM 54923 C CGA A CLA YE 23 . ? 4.862 10.679 2.488 0.40 55.23 ? 404 CLA a CGA 1 +HETATM 54924 C CGA B CLA YE 23 . ? 4.903 10.694 2.554 0.60 55.35 ? 404 CLA a CGA 1 +HETATM 54925 O O1A A CLA YE 23 . ? 3.850 11.221 2.098 0.40 64.54 ? 404 CLA a O1A 1 +HETATM 54926 O O1A B CLA YE 23 . ? 3.908 11.261 2.140 0.60 65.07 ? 404 CLA a O1A 1 +HETATM 54927 O O2A A CLA YE 23 . ? 4.676 9.831 3.610 0.40 55.16 ? 404 CLA a O2A 1 +HETATM 54928 O O2A B CLA YE 23 . ? 4.708 9.779 3.643 0.60 55.36 ? 404 CLA a O2A 1 +HETATM 54929 N NB A CLA YE 23 . ? 9.929 15.757 -1.056 0.40 48.07 ? 404 CLA a NB 1 +HETATM 54930 N NB B CLA YE 23 . ? 9.973 15.776 -1.080 0.60 48.13 ? 404 CLA a NB 1 +HETATM 54931 C C1B A CLA YE 23 . ? 10.496 15.068 -0.066 0.40 45.35 ? 404 CLA a C1B 1 +HETATM 54932 C C1B B CLA YE 23 . ? 10.550 15.085 -0.091 0.60 45.38 ? 404 CLA a C1B 1 +HETATM 54933 C C2B A CLA YE 23 . ? 11.976 14.923 -0.169 0.40 41.92 ? 404 CLA a C2B 1 +HETATM 54934 C C2B B CLA YE 23 . ? 12.027 14.934 -0.206 0.60 41.78 ? 404 CLA a C2B 1 +HETATM 54935 C C3B A CLA YE 23 . ? 12.274 15.719 -1.388 0.40 42.60 ? 404 CLA a C3B 1 +HETATM 54936 C C3B B CLA YE 23 . ? 12.310 15.712 -1.439 0.60 42.66 ? 404 CLA a C3B 1 +HETATM 54937 C C4B A CLA YE 23 . ? 10.930 16.146 -1.848 0.40 43.18 ? 404 CLA a C4B 1 +HETATM 54938 C C4B B CLA YE 23 . ? 10.972 16.160 -1.877 0.60 43.16 ? 404 CLA a C4B 1 +HETATM 54939 C CMB A CLA YE 23 . ? 12.881 14.199 0.800 0.40 50.40 ? 404 CLA a CMB 1 +HETATM 54940 C CMB B CLA YE 23 . ? 12.944 14.197 0.737 0.60 50.65 ? 404 CLA a CMB 1 +HETATM 54941 C CAB A CLA YE 23 . ? 13.524 16.060 -2.127 0.40 42.41 ? 404 CLA a CAB 1 +HETATM 54942 C CAB B CLA YE 23 . ? 13.558 16.044 -2.175 0.60 42.34 ? 404 CLA a CAB 1 +HETATM 54943 C CBB A CLA YE 23 . ? 14.691 15.559 -1.782 0.40 46.15 ? 404 CLA a CBB 1 +HETATM 54944 C CBB B CLA YE 23 . ? 14.701 15.488 -1.822 0.60 46.20 ? 404 CLA a CBB 1 +HETATM 54945 N NC A CLA YE 23 . ? 8.276 17.228 -3.060 0.40 46.03 ? 404 CLA a NC 1 +HETATM 54946 N NC B CLA YE 23 . ? 8.308 17.221 -3.069 0.60 46.11 ? 404 CLA a NC 1 +HETATM 54947 C C1C A CLA YE 23 . ? 9.496 17.434 -3.598 0.40 44.71 ? 404 CLA a C1C 1 +HETATM 54948 C C1C B CLA YE 23 . ? 9.527 17.427 -3.620 0.60 44.73 ? 404 CLA a C1C 1 +HETATM 54949 C C2C A CLA YE 23 . ? 9.521 18.196 -4.872 0.40 44.93 ? 404 CLA a C2C 1 +HETATM 54950 C C2C B CLA YE 23 . ? 9.540 18.194 -4.887 0.60 44.99 ? 404 CLA a C2C 1 +HETATM 54951 C C3C A CLA YE 23 . ? 8.093 18.479 -5.101 0.40 43.57 ? 404 CLA a C3C 1 +HETATM 54952 C C3C B CLA YE 23 . ? 8.113 18.482 -5.102 0.60 43.54 ? 404 CLA a C3C 1 +HETATM 54953 C C4C A CLA YE 23 . ? 7.433 17.837 -3.931 0.40 45.94 ? 404 CLA a C4C 1 +HETATM 54954 C C4C B CLA YE 23 . ? 7.455 17.844 -3.929 0.60 46.03 ? 404 CLA a C4C 1 +HETATM 54955 C CMC A CLA YE 23 . ? 10.708 18.571 -5.729 0.40 43.26 ? 404 CLA a CMC 1 +HETATM 54956 C CMC B CLA YE 23 . ? 10.715 18.574 -5.750 0.60 43.25 ? 404 CLA a CMC 1 +HETATM 54957 C CAC A CLA YE 23 . ? 7.452 19.247 -6.229 0.40 44.76 ? 404 CLA a CAC 1 +HETATM 54958 C CAC B CLA YE 23 . ? 7.493 19.256 -6.232 0.60 44.72 ? 404 CLA a CAC 1 +HETATM 54959 C CBC A CLA YE 23 . ? 7.691 18.511 -7.521 0.40 44.51 ? 404 CLA a CBC 1 +HETATM 54960 C CBC B CLA YE 23 . ? 7.485 18.364 -7.442 0.60 45.31 ? 404 CLA a CBC 1 +HETATM 54961 N ND A CLA YE 23 . ? 6.048 16.466 -1.846 0.40 45.92 ? 404 CLA a ND 1 +HETATM 54962 N ND B CLA YE 23 . ? 6.082 16.446 -1.848 0.60 45.98 ? 404 CLA a ND 1 +HETATM 54963 C C1D A CLA YE 23 . ? 5.286 17.125 -2.861 0.40 45.65 ? 404 CLA a C1D 1 +HETATM 54964 C C1D B CLA YE 23 . ? 5.306 17.109 -2.858 0.60 45.72 ? 404 CLA a C1D 1 +HETATM 54965 C C2D A CLA YE 23 . ? 3.824 16.892 -2.830 0.40 48.75 ? 404 CLA a C2D 1 +HETATM 54966 C C2D B CLA YE 23 . ? 3.847 16.857 -2.814 0.60 48.93 ? 404 CLA a C2D 1 +HETATM 54967 C C3D A CLA YE 23 . ? 3.746 15.963 -1.672 0.40 43.05 ? 404 CLA a C3D 1 +HETATM 54968 C C3D B CLA YE 23 . ? 3.776 15.923 -1.661 0.60 43.02 ? 404 CLA a C3D 1 +HETATM 54969 C C4D A CLA YE 23 . ? 5.046 15.762 -1.215 0.40 44.85 ? 404 CLA a C4D 1 +HETATM 54970 C C4D B CLA YE 23 . ? 5.079 15.732 -1.215 0.60 44.78 ? 404 CLA a C4D 1 +HETATM 54971 C CMD A CLA YE 23 . ? 2.658 17.378 -3.639 0.40 43.38 ? 404 CLA a CMD 1 +HETATM 54972 C CMD B CLA YE 23 . ? 2.660 17.311 -3.608 0.60 43.41 ? 404 CLA a CMD 1 +HETATM 54973 C CAD A CLA YE 23 . ? 2.852 15.131 -0.829 0.40 46.73 ? 404 CLA a CAD 1 +HETATM 54974 C CAD B CLA YE 23 . ? 2.883 15.088 -0.820 0.60 46.77 ? 404 CLA a CAD 1 +HETATM 54975 O OBD A CLA YE 23 . ? 1.581 15.034 -0.971 0.40 49.57 ? 404 CLA a OBD 1 +HETATM 54976 O OBD B CLA YE 23 . ? 1.611 14.994 -0.962 0.60 49.65 ? 404 CLA a OBD 1 +HETATM 54977 C CBD A CLA YE 23 . ? 3.666 14.414 0.189 0.40 46.30 ? 404 CLA a CBD 1 +HETATM 54978 C CBD B CLA YE 23 . ? 3.701 14.381 0.201 0.60 46.22 ? 404 CLA a CBD 1 +HETATM 54979 C CGD A CLA YE 23 . ? 3.095 14.702 1.542 0.40 47.86 ? 404 CLA a CGD 1 +HETATM 54980 C CGD B CLA YE 23 . ? 3.143 14.706 1.553 0.60 47.89 ? 404 CLA a CGD 1 +HETATM 54981 O O1D A CLA YE 23 . ? 3.464 15.609 2.265 0.40 47.97 ? 404 CLA a O1D 1 +HETATM 54982 O O1D B CLA YE 23 . ? 3.516 15.649 2.232 0.60 48.09 ? 404 CLA a O1D 1 +HETATM 54983 O O2D A CLA YE 23 . ? 2.014 13.869 1.996 0.40 49.45 ? 404 CLA a O2D 1 +HETATM 54984 O O2D B CLA YE 23 . ? 2.089 13.868 2.062 0.60 49.61 ? 404 CLA a O2D 1 +HETATM 54985 C CED A CLA YE 23 . ? 1.519 14.140 3.300 0.40 50.68 ? 404 CLA a CED 1 +HETATM 54986 C CED B CLA YE 23 . ? 1.597 14.122 3.372 0.60 50.74 ? 404 CLA a CED 1 +HETATM 54987 C C1 A CLA YE 23 . ? 3.343 9.672 4.101 0.40 54.83 ? 404 CLA a C1 1 +HETATM 54988 C C1 B CLA YE 23 . ? 3.382 9.598 4.135 0.60 55.04 ? 404 CLA a C1 1 +HETATM 54989 C C2 A CLA YE 23 . ? 2.960 8.214 3.979 0.40 51.14 ? 404 CLA a C2 1 +HETATM 54990 C C2 B CLA YE 23 . ? 2.976 8.148 3.985 0.60 51.12 ? 404 CLA a C2 1 +HETATM 54991 C C3 A CLA YE 23 . ? 2.108 7.806 3.025 0.40 50.92 ? 404 CLA a C3 1 +HETATM 54992 C C3 B CLA YE 23 . ? 2.101 7.762 3.042 0.60 50.98 ? 404 CLA a C3 1 +HETATM 54993 C C4 A CLA YE 23 . ? 1.506 8.798 2.071 0.40 42.67 ? 404 CLA a C4 1 +HETATM 54994 C C4 B CLA YE 23 . ? 1.492 8.759 2.096 0.60 42.52 ? 404 CLA a C4 1 +HETATM 54995 C C5 A CLA YE 23 . ? 1.770 6.336 2.915 0.40 46.30 ? 404 CLA a C5 1 +HETATM 54996 C C5 B CLA YE 23 . ? 1.748 6.302 2.927 0.60 46.22 ? 404 CLA a C5 1 +HETATM 54997 C C6 A CLA YE 23 . ? 0.358 5.963 3.342 0.40 42.84 ? 404 CLA a C6 1 +HETATM 54998 C C6 B CLA YE 23 . ? 0.345 5.925 3.365 0.60 42.78 ? 404 CLA a C6 1 +HETATM 54999 C C7 A CLA YE 23 . ? 0.262 4.436 3.314 0.40 47.94 ? 404 CLA a C7 1 +HETATM 55000 C C7 B CLA YE 23 . ? 0.245 4.396 3.328 0.60 47.93 ? 404 CLA a C7 1 +HETATM 55001 C C8 A CLA YE 23 . ? -1.170 3.918 3.419 0.40 49.53 ? 404 CLA a C8 1 +HETATM 55002 C C8 B CLA YE 23 . ? -1.192 3.903 3.429 0.60 49.59 ? 404 CLA a C8 1 +HETATM 55003 C C9 A CLA YE 23 . ? -1.840 4.376 4.711 0.40 49.24 ? 404 CLA a C9 1 +HETATM 55004 C C9 B CLA YE 23 . ? -1.834 4.375 4.734 0.60 49.23 ? 404 CLA a C9 1 +HETATM 55005 C C10 A CLA YE 23 . ? -1.147 2.396 3.339 0.40 51.25 ? 404 CLA a C10 1 +HETATM 55006 C C10 B CLA YE 23 . ? -1.218 2.382 3.322 0.60 51.34 ? 404 CLA a C10 1 +HETATM 55007 C C11 A CLA YE 23 . ? -0.875 1.928 1.915 0.40 46.79 ? 404 CLA a C11 1 +HETATM 55008 C C11 B CLA YE 23 . ? -0.774 1.894 1.944 0.60 46.83 ? 404 CLA a C11 1 +HETATM 55009 C C12 A CLA YE 23 . ? -0.834 0.394 1.815 0.40 46.48 ? 404 CLA a C12 1 +HETATM 55010 C C12 B CLA YE 23 . ? -0.884 0.372 1.775 0.60 46.34 ? 404 CLA a C12 1 +HETATM 55011 C C13 A CLA YE 23 . ? -0.505 -0.075 0.387 0.40 53.34 ? 404 CLA a C13 1 +HETATM 55012 C C13 B CLA YE 23 . ? -0.576 -0.060 0.332 0.60 53.46 ? 404 CLA a C13 1 +HETATM 55013 C C14 A CLA YE 23 . ? -1.552 0.364 -0.634 0.40 45.83 ? 404 CLA a C14 1 +HETATM 55014 C C14 B CLA YE 23 . ? -1.677 0.352 -0.642 0.60 45.65 ? 404 CLA a C14 1 +HETATM 55015 C C15 A CLA YE 23 . ? -0.384 -1.598 0.329 0.40 57.42 ? 404 CLA a C15 1 +HETATM 55016 C C15 B CLA YE 23 . ? -0.394 -1.575 0.242 0.60 57.52 ? 404 CLA a C15 1 +HETATM 55017 C C16 A CLA YE 23 . ? 0.757 -2.137 1.175 0.40 52.46 ? 404 CLA a C16 1 +HETATM 55018 C C16 B CLA YE 23 . ? 0.745 -2.104 1.095 0.60 52.22 ? 404 CLA a C16 1 +HETATM 55019 C C17 A CLA YE 23 . ? 0.534 -3.631 1.388 0.40 66.93 ? 404 CLA a C17 1 +HETATM 55020 C C17 B CLA YE 23 . ? 0.539 -3.597 1.349 0.60 67.06 ? 404 CLA a C17 1 +HETATM 55021 C C18 A CLA YE 23 . ? 1.471 -4.427 0.506 0.40 74.39 ? 404 CLA a C18 1 +HETATM 55022 C C18 B CLA YE 23 . ? 1.566 -4.406 0.578 0.60 74.60 ? 404 CLA a C18 1 +HETATM 55023 C C19 A CLA YE 23 . ? 1.289 -5.905 0.767 0.40 75.79 ? 404 CLA a C19 1 +HETATM 55024 C C19 B CLA YE 23 . ? 1.374 -5.899 0.797 0.60 75.86 ? 404 CLA a C19 1 +HETATM 55025 C C20 A CLA YE 23 . ? 2.916 -4.023 0.767 0.40 77.98 ? 404 CLA a C20 1 +HETATM 55026 C C20 B CLA YE 23 . ? 2.971 -3.988 0.990 0.60 78.74 ? 404 CLA a C20 1 +HETATM 55027 MG MG A CLA ZE 23 . ? 19.013 19.976 2.554 0.40 50.40 ? 405 CLA a MG 1 +HETATM 55028 MG MG B CLA ZE 23 . ? 19.051 19.965 2.551 0.60 50.44 ? 405 CLA a MG 1 +HETATM 55029 C CHA A CLA ZE 23 . ? 16.011 20.669 4.107 0.40 50.82 ? 405 CLA a CHA 1 +HETATM 55030 C CHA B CLA ZE 23 . ? 16.043 20.691 4.096 0.60 50.85 ? 405 CLA a CHA 1 +HETATM 55031 C CHB A CLA ZE 23 . ? 20.580 20.856 5.447 0.40 46.16 ? 405 CLA a CHB 1 +HETATM 55032 C CHB B CLA ZE 23 . ? 20.616 20.846 5.436 0.60 45.96 ? 405 CLA a CHB 1 +HETATM 55033 C CHC A CLA ZE 23 . ? 21.886 18.765 1.210 0.40 47.73 ? 405 CLA a CHC 1 +HETATM 55034 C CHC B CLA ZE 23 . ? 21.923 18.765 1.193 0.60 47.68 ? 405 CLA a CHC 1 +HETATM 55035 C CHD A CLA ZE 23 . ? 17.115 18.462 -0.184 0.40 43.08 ? 405 CLA a CHD 1 +HETATM 55036 C CHD B CLA ZE 23 . ? 17.144 18.478 -0.210 0.60 42.96 ? 405 CLA a CHD 1 +HETATM 55037 N NA A CLA ZE 23 . ? 18.414 20.586 4.453 0.40 56.32 ? 405 CLA a NA 1 +HETATM 55038 N NA B CLA ZE 23 . ? 18.453 20.592 4.444 0.60 56.55 ? 405 CLA a NA 1 +HETATM 55039 C C1A A CLA ZE 23 . ? 17.247 20.846 4.914 0.40 48.91 ? 405 CLA a C1A 1 +HETATM 55040 C C1A B CLA ZE 23 . ? 17.287 20.880 4.894 0.60 48.85 ? 405 CLA a C1A 1 +HETATM 55041 C C2A A CLA ZE 23 . ? 17.145 21.387 6.315 0.40 57.31 ? 405 CLA a C2A 1 +HETATM 55042 C C2A B CLA ZE 23 . ? 17.193 21.423 6.292 0.60 57.49 ? 405 CLA a C2A 1 +HETATM 55043 C C3A A CLA ZE 23 . ? 18.611 21.513 6.680 0.40 56.55 ? 405 CLA a C3A 1 +HETATM 55044 C C3A B CLA ZE 23 . ? 18.657 21.539 6.660 0.60 56.66 ? 405 CLA a C3A 1 +HETATM 55045 C C4A A CLA ZE 23 . ? 19.248 20.950 5.442 0.40 55.33 ? 405 CLA a C4A 1 +HETATM 55046 C C4A B CLA ZE 23 . ? 19.286 20.952 5.429 0.60 55.45 ? 405 CLA a C4A 1 +HETATM 55047 C CMA A CLA ZE 23 . ? 18.915 23.012 6.710 0.40 49.05 ? 405 CLA a CMA 1 +HETATM 55048 C CMA B CLA ZE 23 . ? 19.003 23.030 6.683 0.60 48.82 ? 405 CLA a CMA 1 +HETATM 55049 C CAA A CLA ZE 23 . ? 16.580 20.291 7.247 0.40 53.02 ? 405 CLA a CAA 1 +HETATM 55050 C CAA B CLA ZE 23 . ? 16.629 20.324 7.221 0.60 53.02 ? 405 CLA a CAA 1 +HETATM 55051 C CBA A CLA ZE 23 . ? 17.228 18.934 6.944 0.40 52.13 ? 405 CLA a CBA 1 +HETATM 55052 C CBA B CLA ZE 23 . ? 17.190 18.934 6.873 0.60 52.07 ? 405 CLA a CBA 1 +HETATM 55053 C CGA A CLA ZE 23 . ? 17.065 17.802 7.943 0.40 57.72 ? 405 CLA a CGA 1 +HETATM 55054 C CGA B CLA ZE 23 . ? 17.071 17.845 7.926 0.60 57.75 ? 405 CLA a CGA 1 +HETATM 55055 O O1A A CLA ZE 23 . ? 16.240 17.818 8.830 0.40 68.45 ? 405 CLA a O1A 1 +HETATM 55056 O O1A B CLA ZE 23 . ? 16.269 17.897 8.839 0.60 68.88 ? 405 CLA a O1A 1 +HETATM 55057 O O2A A CLA ZE 23 . ? 17.915 16.632 7.848 0.40 59.82 ? 405 CLA a O2A 1 +HETATM 55058 O O2A B CLA ZE 23 . ? 17.928 16.673 7.857 0.60 59.97 ? 405 CLA a O2A 1 +HETATM 55059 N NB A CLA ZE 23 . ? 20.937 19.829 3.230 0.40 55.55 ? 405 CLA a NB 1 +HETATM 55060 N NB B CLA ZE 23 . ? 20.979 19.820 3.219 0.60 55.80 ? 405 CLA a NB 1 +HETATM 55061 C C1B A CLA ZE 23 . ? 21.430 20.310 4.374 0.40 49.84 ? 405 CLA a C1B 1 +HETATM 55062 C C1B B CLA ZE 23 . ? 21.466 20.291 4.370 0.60 49.79 ? 405 CLA a C1B 1 +HETATM 55063 C C2B A CLA ZE 23 . ? 22.910 20.196 4.515 0.40 50.59 ? 405 CLA a C2B 1 +HETATM 55064 C C2B B CLA ZE 23 . ? 22.940 20.158 4.532 0.60 50.50 ? 405 CLA a C2B 1 +HETATM 55065 C C3B A CLA ZE 23 . ? 23.292 19.558 3.245 0.40 53.84 ? 405 CLA a C3B 1 +HETATM 55066 C C3B B CLA ZE 23 . ? 23.326 19.524 3.257 0.60 53.96 ? 405 CLA a C3B 1 +HETATM 55067 C C4B A CLA ZE 23 . ? 21.991 19.383 2.531 0.40 50.63 ? 405 CLA a C4B 1 +HETATM 55068 C C4B B CLA ZE 23 . ? 22.031 19.370 2.527 0.60 50.66 ? 405 CLA a C4B 1 +HETATM 55069 C CMB A CLA ZE 23 . ? 23.805 20.630 5.642 0.40 54.59 ? 405 CLA a CMB 1 +HETATM 55070 C CMB B CLA ZE 23 . ? 23.816 20.570 5.679 0.60 54.62 ? 405 CLA a CMB 1 +HETATM 55071 C CAB A CLA ZE 23 . ? 24.654 19.203 2.786 0.40 50.65 ? 405 CLA a CAB 1 +HETATM 55072 C CAB B CLA ZE 23 . ? 24.695 19.149 2.827 0.60 50.61 ? 405 CLA a CAB 1 +HETATM 55073 C CBB A CLA ZE 23 . ? 25.140 19.792 1.723 0.40 58.00 ? 405 CLA a CBB 1 +HETATM 55074 C CBB B CLA ZE 23 . ? 25.206 19.580 1.700 0.60 58.51 ? 405 CLA a CBB 1 +HETATM 55075 N NC A CLA ZE 23 . ? 19.390 18.825 0.898 0.40 47.93 ? 405 CLA a NC 1 +HETATM 55076 N NC B CLA ZE 23 . ? 19.424 18.851 0.862 0.60 48.03 ? 405 CLA a NC 1 +HETATM 55077 C C1C A CLA ZE 23 . ? 20.628 18.466 0.503 0.40 57.50 ? 405 CLA a C1C 1 +HETATM 55078 C C1C B CLA ZE 23 . ? 20.662 18.459 0.485 0.60 57.85 ? 405 CLA a C1C 1 +HETATM 55079 C C2C A CLA ZE 23 . ? 20.675 17.709 -0.784 0.40 43.95 ? 405 CLA a C2C 1 +HETATM 55080 C C2C B CLA ZE 23 . ? 20.692 17.653 -0.774 0.60 43.76 ? 405 CLA a C2C 1 +HETATM 55081 C C3C A CLA ZE 23 . ? 19.253 17.637 -1.174 0.40 51.25 ? 405 CLA a C3C 1 +HETATM 55082 C C3C B CLA ZE 23 . ? 19.274 17.586 -1.167 0.60 51.31 ? 405 CLA a C3C 1 +HETATM 55083 C C4C A CLA ZE 23 . ? 18.576 18.354 -0.068 0.40 45.37 ? 405 CLA a C4C 1 +HETATM 55084 C C4C B CLA ZE 23 . ? 18.603 18.356 -0.093 0.60 45.35 ? 405 CLA a C4C 1 +HETATM 55085 C CMC A CLA ZE 23 . ? 21.859 17.133 -1.520 0.40 47.17 ? 405 CLA a CMC 1 +HETATM 55086 C CMC B CLA ZE 23 . ? 21.857 17.043 -1.502 0.60 47.13 ? 405 CLA a CMC 1 +HETATM 55087 C CAC A CLA ZE 23 . ? 18.613 16.984 -2.384 0.40 49.39 ? 405 CLA a CAC 1 +HETATM 55088 C CAC B CLA ZE 23 . ? 18.643 16.903 -2.360 0.60 49.42 ? 405 CLA a CAC 1 +HETATM 55089 C CBC A CLA ZE 23 . ? 18.953 17.871 -3.572 0.40 49.57 ? 405 CLA a CBC 1 +HETATM 55090 C CBC B CLA ZE 23 . ? 18.960 17.761 -3.567 0.60 49.66 ? 405 CLA a CBC 1 +HETATM 55091 N ND A CLA ZE 23 . ? 17.094 19.538 2.040 0.40 48.98 ? 405 CLA a ND 1 +HETATM 55092 N ND B CLA ZE 23 . ? 17.130 19.559 2.025 0.60 48.96 ? 405 CLA a ND 1 +HETATM 55093 C C1D A CLA ZE 23 . ? 16.384 19.123 0.877 0.40 49.65 ? 405 CLA a C1D 1 +HETATM 55094 C C1D B CLA ZE 23 . ? 16.412 19.131 0.862 0.60 49.71 ? 405 CLA a C1D 1 +HETATM 55095 C C2D A CLA ZE 23 . ? 14.934 19.408 0.850 0.40 50.07 ? 405 CLA a C2D 1 +HETATM 55096 C C2D B CLA ZE 23 . ? 14.955 19.386 0.851 0.60 50.20 ? 405 CLA a C2D 1 +HETATM 55097 C C3D A CLA ZE 23 . ? 14.799 20.075 2.179 0.40 47.70 ? 405 CLA a C3D 1 +HETATM 55098 C C3D B CLA ZE 23 . ? 14.817 20.049 2.183 0.60 47.61 ? 405 CLA a C3D 1 +HETATM 55099 C C4D A CLA ZE 23 . ? 16.054 20.080 2.758 0.40 47.52 ? 405 CLA a C4D 1 +HETATM 55100 C C4D B CLA ZE 23 . ? 16.083 20.092 2.751 0.60 47.40 ? 405 CLA a C4D 1 +HETATM 55101 C CMD A CLA ZE 23 . ? 13.838 19.162 -0.148 0.40 43.43 ? 405 CLA a CMD 1 +HETATM 55102 C CMD B CLA ZE 23 . ? 13.846 19.113 -0.129 0.60 43.29 ? 405 CLA a CMD 1 +HETATM 55103 C CAD A CLA ZE 23 . ? 13.867 20.712 3.151 0.40 55.20 ? 405 CLA a CAD 1 +HETATM 55104 C CAD B CLA ZE 23 . ? 13.883 20.679 3.164 0.60 55.43 ? 405 CLA a CAD 1 +HETATM 55105 O OBD A CLA ZE 23 . ? 12.615 20.912 2.950 0.40 50.54 ? 405 CLA a OBD 1 +HETATM 55106 O OBD B CLA ZE 23 . ? 12.621 20.846 2.990 0.60 50.79 ? 405 CLA a OBD 1 +HETATM 55107 C CBD A CLA ZE 23 . ? 14.618 21.115 4.375 0.40 53.94 ? 405 CLA a CBD 1 +HETATM 55108 C CBD B CLA ZE 23 . ? 14.643 21.112 4.377 0.60 53.99 ? 405 CLA a CBD 1 +HETATM 55109 C CGD A CLA ZE 23 . ? 14.553 22.608 4.496 0.40 53.39 ? 405 CLA a CGD 1 +HETATM 55110 C CGD B CLA ZE 23 . ? 14.513 22.607 4.477 0.60 53.37 ? 405 CLA a CGD 1 +HETATM 55111 O O1D A CLA ZE 23 . ? 14.877 23.347 3.580 0.40 57.87 ? 405 CLA a O1D 1 +HETATM 55112 O O1D B CLA ZE 23 . ? 14.893 23.363 3.590 0.60 58.04 ? 405 CLA a O1D 1 +HETATM 55113 O O2D A CLA ZE 23 . ? 14.094 23.197 5.724 0.40 58.11 ? 405 CLA a O2D 1 +HETATM 55114 O O2D B CLA ZE 23 . ? 13.909 23.194 5.649 0.60 58.09 ? 405 CLA a O2D 1 +HETATM 55115 C CED A CLA ZE 23 . ? 14.087 24.628 5.801 0.40 55.41 ? 405 CLA a CED 1 +HETATM 55116 C CED B CLA ZE 23 . ? 13.928 24.620 5.782 0.60 55.44 ? 405 CLA a CED 1 +HETATM 55117 C C1 A CLA ZE 23 . ? 17.929 15.644 8.880 0.40 60.27 ? 405 CLA a C1 1 +HETATM 55118 C C1 B CLA ZE 23 . ? 17.901 15.697 8.902 0.60 60.38 ? 405 CLA a C1 1 +HETATM 55119 C C2 A CLA ZE 23 . ? 19.093 15.843 9.831 0.40 65.46 ? 405 CLA a C2 1 +HETATM 55120 C C2 B CLA ZE 23 . ? 19.063 15.913 9.848 0.60 65.61 ? 405 CLA a C2 1 +HETATM 55121 C C3 A CLA ZE 23 . ? 18.897 15.856 11.158 0.40 59.93 ? 405 CLA a C3 1 +HETATM 55122 C C3 B CLA ZE 23 . ? 18.903 15.833 11.178 0.60 59.85 ? 405 CLA a C3 1 +HETATM 55123 C C4 A CLA ZE 23 . ? 17.508 15.694 11.688 0.40 61.77 ? 405 CLA a C4 1 +HETATM 55124 C C4 B CLA ZE 23 . ? 17.548 15.531 11.737 0.60 61.90 ? 405 CLA a C4 1 +HETATM 55125 C C5 A CLA ZE 23 . ? 20.040 16.049 12.131 0.40 68.80 ? 405 CLA a C5 1 +HETATM 55126 C C5 B CLA ZE 23 . ? 20.075 16.046 12.111 0.60 68.74 ? 405 CLA a C5 1 +HETATM 55127 C C6 A CLA ZE 23 . ? 20.216 17.489 12.613 0.40 81.68 ? 405 CLA a C6 1 +HETATM 55128 C C6 B CLA ZE 23 . ? 20.253 17.480 12.602 0.60 81.73 ? 405 CLA a C6 1 +HETATM 55129 C C7 A CLA ZE 23 . ? 20.684 18.391 11.464 0.40 93.57 ? 405 CLA a C7 1 +HETATM 55130 C C7 B CLA ZE 23 . ? 20.766 18.378 11.476 0.60 93.81 ? 405 CLA a C7 1 +HETATM 55131 C C8 A CLA ZE 23 . ? 20.833 19.861 11.851 0.40 95.77 ? 405 CLA a C8 1 +HETATM 55132 C C8 B CLA ZE 23 . ? 20.875 19.845 11.881 0.60 95.85 ? 405 CLA a C8 1 +HETATM 55133 C C9 A CLA ZE 23 . ? 20.515 20.741 10.649 0.40 91.12 ? 405 CLA a C9 1 +HETATM 55134 C C9 B CLA ZE 23 . ? 20.520 20.730 10.695 0.60 91.08 ? 405 CLA a C9 1 +HETATM 55135 C C10 A CLA ZE 23 . ? 22.243 20.114 12.385 0.40 106.43 ? 405 CLA a C10 1 +HETATM 55136 C C10 B CLA ZE 23 . ? 22.286 20.123 12.394 0.60 106.57 ? 405 CLA a C10 1 +HETATM 55137 C C11 A CLA ZE 23 . ? 22.345 21.394 13.217 0.40 117.04 ? 405 CLA a C11 1 +HETATM 55138 C C11 B CLA ZE 23 . ? 22.368 21.400 13.228 0.60 117.19 ? 405 CLA a C11 1 +HETATM 55139 C C12 A CLA ZE 23 . ? 23.710 21.519 13.900 0.40 119.97 ? 405 CLA a C12 1 +HETATM 55140 C C12 B CLA ZE 23 . ? 23.733 21.533 13.905 0.60 120.09 ? 405 CLA a C12 1 +HETATM 55141 C C13 A CLA ZE 23 . ? 24.080 22.973 14.220 0.40 125.61 ? 405 CLA a C13 1 +HETATM 55142 C C13 B CLA ZE 23 . ? 24.078 22.986 14.237 0.60 125.74 ? 405 CLA a C13 1 +HETATM 55143 C C14 A CLA ZE 23 . ? 25.562 23.222 13.956 0.40 121.08 ? 405 CLA a C14 1 +HETATM 55144 C C14 B CLA ZE 23 . ? 25.555 23.268 13.978 0.60 121.15 ? 405 CLA a C14 1 +HETATM 55145 C C15 A CLA ZE 23 . ? 23.707 23.340 15.660 0.40 126.99 ? 405 CLA a C15 1 +HETATM 55146 C C15 B CLA ZE 23 . ? 23.697 23.317 15.682 0.60 127.01 ? 405 CLA a C15 1 +HETATM 55147 C C16 A CLA ZE 23 . ? 24.766 22.914 16.681 0.40 133.78 ? 405 CLA a C16 1 +HETATM 55148 C C16 B CLA ZE 23 . ? 24.775 22.914 16.689 0.60 133.90 ? 405 CLA a C16 1 +HETATM 55149 C C17 A CLA ZE 23 . ? 24.543 23.539 18.060 0.40 133.52 ? 405 CLA a C17 1 +HETATM 55150 C C17 B CLA ZE 23 . ? 24.557 23.572 18.052 0.60 133.61 ? 405 CLA a C17 1 +HETATM 55151 C C18 A CLA ZE 23 . ? 25.719 23.268 18.998 0.40 126.17 ? 405 CLA a C18 1 +HETATM 55152 C C18 B CLA ZE 23 . ? 25.724 23.308 19.000 0.60 126.14 ? 405 CLA a C18 1 +HETATM 55153 C C19 A CLA ZE 23 . ? 25.678 21.845 19.542 0.40 125.50 ? 405 CLA a C19 1 +HETATM 55154 C C19 B CLA ZE 23 . ? 25.679 21.888 19.554 0.60 125.49 ? 405 CLA a C19 1 +HETATM 55155 C C20 A CLA ZE 23 . ? 25.778 24.287 20.133 0.40 127.30 ? 405 CLA a C20 1 +HETATM 55156 C C20 B CLA ZE 23 . ? 25.765 24.336 20.125 0.60 127.33 ? 405 CLA a C20 1 +HETATM 55157 C CHA A PHO AF 24 . ? 2.559 0.743 8.179 0.40 51.53 ? 406 PHO a CHA 1 +HETATM 55158 C CHA B PHO AF 24 . ? 2.533 0.737 8.173 0.60 51.60 ? 406 PHO a CHA 1 +HETATM 55159 C CHB A PHO AF 24 . ? 3.135 1.675 3.418 0.40 47.96 ? 406 PHO a CHB 1 +HETATM 55160 C CHB B PHO AF 24 . ? 3.143 1.624 3.374 0.60 47.86 ? 406 PHO a CHB 1 +HETATM 55161 C CHC A PHO AF 24 . ? 5.662 5.780 4.482 0.40 45.43 ? 406 PHO a CHC 1 +HETATM 55162 C CHC B PHO AF 24 . ? 5.653 5.735 4.462 0.60 45.27 ? 406 PHO a CHC 1 +HETATM 55163 C CHD A PHO AF 24 . ? 5.256 4.837 9.344 0.40 48.23 ? 406 PHO a CHD 1 +HETATM 55164 C CHD B PHO AF 24 . ? 5.255 4.803 9.339 0.60 48.15 ? 406 PHO a CHD 1 +HETATM 55165 N NA A PHO AF 24 . ? 3.113 1.372 5.855 0.40 50.88 ? 406 PHO a NA 1 +HETATM 55166 N NA B PHO AF 24 . ? 3.086 1.383 5.825 0.60 50.91 ? 406 PHO a NA 1 +HETATM 55167 C C1A A PHO AF 24 . ? 2.507 0.550 6.700 0.40 52.73 ? 406 PHO a C1A 1 +HETATM 55168 C C1A B PHO AF 24 . ? 2.478 0.563 6.691 0.60 52.84 ? 406 PHO a C1A 1 +HETATM 55169 C C2A A PHO AF 24 . ? 1.791 -0.606 6.041 0.40 51.78 ? 406 PHO a C2A 1 +HETATM 55170 C C2A B PHO AF 24 . ? 1.758 -0.591 6.046 0.60 51.93 ? 406 PHO a C2A 1 +HETATM 55171 C C3A A PHO AF 24 . ? 2.205 -0.385 4.588 0.40 50.09 ? 406 PHO a C3A 1 +HETATM 55172 C C3A B PHO AF 24 . ? 2.216 -0.419 4.602 0.60 50.07 ? 406 PHO a C3A 1 +HETATM 55173 C C4A A PHO AF 24 . ? 2.847 0.966 4.675 0.40 53.04 ? 406 PHO a C4A 1 +HETATM 55174 C C4A B PHO AF 24 . ? 2.846 0.944 4.653 0.60 53.13 ? 406 PHO a C4A 1 +HETATM 55175 C CMA A PHO AF 24 . ? 3.260 -1.393 4.146 0.40 45.41 ? 406 PHO a CMA 1 +HETATM 55176 C CMA B PHO AF 24 . ? 3.315 -1.417 4.285 0.60 45.16 ? 406 PHO a CMA 1 +HETATM 55177 C CAA A PHO AF 24 . ? 0.282 -0.522 6.157 0.40 47.21 ? 406 PHO a CAA 1 +HETATM 55178 C CAA B PHO AF 24 . ? 0.243 -0.523 6.173 0.60 47.18 ? 406 PHO a CAA 1 +HETATM 55179 C CBA A PHO AF 24 . ? -0.294 -1.822 5.599 0.40 46.37 ? 406 PHO a CBA 1 +HETATM 55180 C CBA B PHO AF 24 . ? -0.336 -1.813 5.603 0.60 46.33 ? 406 PHO a CBA 1 +HETATM 55181 C CGA A PHO AF 24 . ? -1.760 -1.603 5.352 0.40 49.64 ? 406 PHO a CGA 1 +HETATM 55182 C CGA B PHO AF 24 . ? -1.810 -1.625 5.347 0.60 49.63 ? 406 PHO a CGA 1 +HETATM 55183 O O1A A PHO AF 24 . ? -2.268 -0.507 5.468 0.40 49.25 ? 406 PHO a O1A 1 +HETATM 55184 O O1A B PHO AF 24 . ? -2.383 -0.563 5.516 0.60 49.10 ? 406 PHO a O1A 1 +HETATM 55185 O O2A A PHO AF 24 . ? -2.607 -2.683 4.958 0.40 50.73 ? 406 PHO a O2A 1 +HETATM 55186 O O2A B PHO AF 24 . ? -2.600 -2.720 4.868 0.60 50.85 ? 406 PHO a O2A 1 +HETATM 55187 N NB A PHO AF 24 . ? 4.377 3.654 4.246 0.40 50.74 ? 406 PHO a NB 1 +HETATM 55188 N NB B PHO AF 24 . ? 4.378 3.608 4.182 0.60 50.81 ? 406 PHO a NB 1 +HETATM 55189 C C1B A PHO AF 24 . ? 3.868 2.941 3.223 0.40 49.80 ? 406 PHO a C1B 1 +HETATM 55190 C C1B B PHO AF 24 . ? 3.876 2.896 3.161 0.60 49.76 ? 406 PHO a C1B 1 +HETATM 55191 C C2B A PHO AF 24 . ? 4.111 3.547 1.883 0.40 51.88 ? 406 PHO a C2B 1 +HETATM 55192 C C2B B PHO AF 24 . ? 4.135 3.495 1.818 0.60 51.99 ? 406 PHO a C2B 1 +HETATM 55193 C C3B A PHO AF 24 . ? 4.864 4.780 2.237 0.40 54.79 ? 406 PHO a C3B 1 +HETATM 55194 C C3B B PHO AF 24 . ? 4.882 4.725 2.178 0.60 54.89 ? 406 PHO a C3B 1 +HETATM 55195 C C4B A PHO AF 24 . ? 4.965 4.738 3.718 0.40 51.36 ? 406 PHO a C4B 1 +HETATM 55196 C C4B B PHO AF 24 . ? 4.975 4.687 3.665 0.60 51.43 ? 406 PHO a C4B 1 +HETATM 55197 C CMB A PHO AF 24 . ? 3.689 3.041 0.526 0.40 50.89 ? 406 PHO a CMB 1 +HETATM 55198 C CMB B PHO AF 24 . ? 3.740 3.006 0.447 0.60 50.89 ? 406 PHO a CMB 1 +HETATM 55199 C CAB A PHO AF 24 . ? 5.438 5.869 1.400 0.40 56.74 ? 406 PHO a CAB 1 +HETATM 55200 C CAB B PHO AF 24 . ? 5.450 5.787 1.310 0.60 56.87 ? 406 PHO a CAB 1 +HETATM 55201 C CBB A PHO AF 24 . ? 4.880 6.220 0.260 0.40 54.45 ? 406 PHO a CBB 1 +HETATM 55202 C CBB B PHO AF 24 . ? 4.703 6.427 0.430 0.60 56.89 ? 406 PHO a CBB 1 +HETATM 55203 N NC A PHO AF 24 . ? 5.287 4.965 6.857 0.40 49.62 ? 406 PHO a NC 1 +HETATM 55204 N NC B PHO AF 24 . ? 5.287 4.921 6.840 0.60 49.53 ? 406 PHO a NC 1 +HETATM 55205 C C1C A PHO AF 24 . ? 5.838 5.801 5.943 0.40 53.32 ? 406 PHO a C1C 1 +HETATM 55206 C C1C B PHO AF 24 . ? 5.847 5.750 5.922 0.60 53.44 ? 406 PHO a C1C 1 +HETATM 55207 C C2C A PHO AF 24 . ? 6.608 6.932 6.521 0.40 49.52 ? 406 PHO a C2C 1 +HETATM 55208 C C2C B PHO AF 24 . ? 6.632 6.870 6.514 0.60 49.55 ? 406 PHO a C2C 1 +HETATM 55209 C C3C A PHO AF 24 . ? 6.470 6.708 7.977 0.40 47.53 ? 406 PHO a C3C 1 +HETATM 55210 C C3C B PHO AF 24 . ? 6.502 6.644 7.971 0.60 47.44 ? 406 PHO a C3C 1 +HETATM 55211 C C4C A PHO AF 24 . ? 5.650 5.458 8.058 0.40 54.38 ? 406 PHO a C4C 1 +HETATM 55212 C C4C B PHO AF 24 . ? 5.658 5.415 8.049 0.60 54.55 ? 406 PHO a C4C 1 +HETATM 55213 C CMC A PHO AF 24 . ? 7.332 8.027 5.790 0.40 48.02 ? 406 PHO a CMC 1 +HETATM 55214 C CMC B PHO AF 24 . ? 7.390 7.969 5.822 0.60 47.95 ? 406 PHO a CMC 1 +HETATM 55215 C CAC A PHO AF 24 . ? 7.044 7.519 9.117 0.40 49.95 ? 406 PHO a CAC 1 +HETATM 55216 C CAC B PHO AF 24 . ? 7.099 7.466 9.092 0.60 49.97 ? 406 PHO a CAC 1 +HETATM 55217 C CBC A PHO AF 24 . ? 5.919 8.146 9.924 0.40 46.02 ? 406 PHO a CBC 1 +HETATM 55218 C CBC B PHO AF 24 . ? 5.997 8.115 9.908 0.60 45.99 ? 406 PHO a CBC 1 +HETATM 55219 N ND A PHO AF 24 . ? 4.066 2.962 8.241 0.40 52.56 ? 406 PHO a ND 1 +HETATM 55220 N ND B PHO AF 24 . ? 4.045 2.948 8.239 0.60 52.69 ? 406 PHO a ND 1 +HETATM 55221 C C1D A PHO AF 24 . ? 4.428 3.611 9.366 0.40 49.83 ? 406 PHO a C1D 1 +HETATM 55222 C C1D B PHO AF 24 . ? 4.416 3.589 9.361 0.60 49.87 ? 406 PHO a C1D 1 +HETATM 55223 C C2D A PHO AF 24 . ? 3.970 3.040 10.658 0.40 51.13 ? 406 PHO a C2D 1 +HETATM 55224 C C2D B PHO AF 24 . ? 3.959 3.009 10.655 0.60 51.15 ? 406 PHO a C2D 1 +HETATM 55225 C C3D A PHO AF 24 . ? 3.206 1.884 10.119 0.40 49.97 ? 406 PHO a C3D 1 +HETATM 55226 C C3D B PHO AF 24 . ? 3.189 1.854 10.116 0.60 49.94 ? 406 PHO a C3D 1 +HETATM 55227 C C4D A PHO AF 24 . ? 3.304 1.910 8.736 0.40 49.88 ? 406 PHO a C4D 1 +HETATM 55228 C C4D B PHO AF 24 . ? 3.289 1.890 8.737 0.60 49.84 ? 406 PHO a C4D 1 +HETATM 55229 C CMD A PHO AF 24 . ? 4.129 3.416 12.109 0.40 49.24 ? 406 PHO a CMD 1 +HETATM 55230 C CMD B PHO AF 24 . ? 4.118 3.360 12.106 0.60 49.22 ? 406 PHO a CMD 1 +HETATM 55231 C CAD A PHO AF 24 . ? 2.406 0.700 10.533 0.40 50.09 ? 406 PHO a CAD 1 +HETATM 55232 C CAD B PHO AF 24 . ? 2.379 0.683 10.531 0.60 50.11 ? 406 PHO a CAD 1 +HETATM 55233 O OBD A PHO AF 24 . ? 2.109 0.397 11.740 0.40 51.87 ? 406 PHO a OBD 1 +HETATM 55234 O OBD B PHO AF 24 . ? 2.097 0.371 11.748 0.60 51.92 ? 406 PHO a OBD 1 +HETATM 55235 C CBD A PHO AF 24 . ? 1.947 -0.008 9.310 0.40 48.01 ? 406 PHO a CBD 1 +HETATM 55236 C CBD B PHO AF 24 . ? 1.928 -0.021 9.306 0.60 47.94 ? 406 PHO a CBD 1 +HETATM 55237 C CGD A PHO AF 24 . ? 2.331 -1.446 9.279 0.40 47.62 ? 406 PHO a CGD 1 +HETATM 55238 C CGD B PHO AF 24 . ? 2.343 -1.454 9.282 0.60 47.62 ? 406 PHO a CGD 1 +HETATM 55239 O O1D A PHO AF 24 . ? 1.490 -2.310 9.500 0.40 49.04 ? 406 PHO a O1D 1 +HETATM 55240 O O1D B PHO AF 24 . ? 1.520 -2.330 9.488 0.60 49.08 ? 406 PHO a O1D 1 +HETATM 55241 O O2D A PHO AF 24 . ? 3.691 -1.828 8.951 0.40 49.52 ? 406 PHO a O2D 1 +HETATM 55242 O O2D B PHO AF 24 . ? 3.713 -1.829 9.000 0.60 49.64 ? 406 PHO a O2D 1 +HETATM 55243 C CED A PHO AF 24 . ? 4.029 -3.212 9.001 0.40 43.56 ? 406 PHO a CED 1 +HETATM 55244 C CED B PHO AF 24 . ? 4.046 -3.211 9.000 0.60 43.47 ? 406 PHO a CED 1 +HETATM 55245 C C1 A PHO AF 24 . ? -3.910 -2.363 4.485 0.40 53.83 ? 406 PHO a C1 1 +HETATM 55246 C C1 B PHO AF 24 . ? -3.930 -2.445 4.444 0.60 53.98 ? 406 PHO a C1 1 +HETATM 55247 C C2 A PHO AF 24 . ? -3.918 -2.417 2.976 0.40 58.59 ? 406 PHO a C2 1 +HETATM 55248 C C2 B PHO AF 24 . ? -3.934 -2.413 2.935 0.60 58.70 ? 406 PHO a C2 1 +HETATM 55249 C C3 A PHO AF 24 . ? -3.671 -3.529 2.257 0.40 59.98 ? 406 PHO a C3 1 +HETATM 55250 C C3 B PHO AF 24 . ? -3.722 -3.517 2.198 0.60 60.14 ? 406 PHO a C3 1 +HETATM 55251 C C4 A PHO AF 24 . ? -3.339 -4.828 2.937 0.40 55.41 ? 406 PHO a C4 1 +HETATM 55252 C C4 B PHO AF 24 . ? -3.451 -4.842 2.855 0.60 55.42 ? 406 PHO a C4 1 +HETATM 55253 C C5 A PHO AF 24 . ? -3.704 -3.492 0.733 0.40 60.15 ? 406 PHO a C5 1 +HETATM 55254 C C5 B PHO AF 24 . ? -3.723 -3.441 0.682 0.60 60.11 ? 406 PHO a C5 1 +HETATM 55255 C C6 A PHO AF 24 . ? -4.438 -2.288 0.120 0.40 53.23 ? 406 PHO a C6 1 +HETATM 55256 C C6 B PHO AF 24 . ? -4.449 -2.218 0.129 0.60 53.21 ? 406 PHO a C6 1 +HETATM 55257 C C7 A PHO AF 24 . ? -4.413 -2.336 -1.425 0.40 49.97 ? 406 PHO a C7 1 +HETATM 55258 C C7 B PHO AF 24 . ? -4.350 -2.227 -1.408 0.60 50.12 ? 406 PHO a C7 1 +HETATM 55259 C C8 A PHO AF 24 . ? -5.032 -1.069 -2.037 0.40 52.31 ? 406 PHO a C8 1 +HETATM 55260 C C8 B PHO AF 24 . ? -5.061 -1.037 -2.036 0.60 52.37 ? 406 PHO a C8 1 +HETATM 55261 C C9 A PHO AF 24 . ? -6.552 -1.128 -1.877 0.40 51.54 ? 406 PHO a C9 1 +HETATM 55262 C C9 B PHO AF 24 . ? -6.566 -1.226 -1.893 0.60 51.60 ? 406 PHO a C9 1 +HETATM 55263 C C10 A PHO AF 24 . ? -4.584 -0.882 -3.498 0.40 54.24 ? 406 PHO a C10 1 +HETATM 55264 C C10 B PHO AF 24 . ? -4.627 -0.902 -3.502 0.60 54.32 ? 406 PHO a C10 1 +HETATM 55265 C C11 A PHO AF 24 . ? -5.192 0.324 -4.238 0.40 47.62 ? 406 PHO a C11 1 +HETATM 55266 C C11 B PHO AF 24 . ? -5.258 0.280 -4.230 0.60 47.60 ? 406 PHO a C11 1 +HETATM 55267 C C12 A PHO AF 24 . ? -5.141 1.632 -3.455 0.40 51.65 ? 406 PHO a C12 1 +HETATM 55268 C C12 B PHO AF 24 . ? -5.151 1.588 -3.450 0.60 51.68 ? 406 PHO a C12 1 +HETATM 55269 C C13 A PHO AF 24 . ? -3.721 2.176 -3.303 0.40 53.01 ? 406 PHO a C13 1 +HETATM 55270 C C13 B PHO AF 24 . ? -3.725 2.113 -3.277 0.60 53.09 ? 406 PHO a C13 1 +HETATM 55271 C C14 A PHO AF 24 . ? -3.727 3.484 -2.522 0.40 48.89 ? 406 PHO a C14 1 +HETATM 55272 C C14 B PHO AF 24 . ? -3.749 3.411 -2.473 0.60 48.88 ? 406 PHO a C14 1 +HETATM 55273 C C15 A PHO AF 24 . ? -3.075 2.355 -4.674 0.40 53.43 ? 406 PHO a C15 1 +HETATM 55274 C C15 B PHO AF 24 . ? -3.070 2.316 -4.642 0.60 53.50 ? 406 PHO a C15 1 +HETATM 55275 C C16 A PHO AF 24 . ? -1.709 3.016 -4.545 0.40 49.31 ? 406 PHO a C16 1 +HETATM 55276 C C16 B PHO AF 24 . ? -1.767 3.096 -4.523 0.60 49.27 ? 406 PHO a C16 1 +HETATM 55277 C C17 A PHO AF 24 . ? -1.028 3.154 -5.905 0.40 51.35 ? 406 PHO a C17 1 +HETATM 55278 C C17 B PHO AF 24 . ? -1.043 3.158 -5.865 0.60 51.45 ? 406 PHO a C17 1 +HETATM 55279 C C18 A PHO AF 24 . ? 0.326 3.847 -5.759 0.40 50.71 ? 406 PHO a C18 1 +HETATM 55280 C C18 B PHO AF 24 . ? 0.303 3.863 -5.719 0.60 50.84 ? 406 PHO a C18 1 +HETATM 55281 C C19 A PHO AF 24 . ? 0.169 5.320 -5.387 0.40 44.73 ? 406 PHO a C19 1 +HETATM 55282 C C19 B PHO AF 24 . ? 0.118 5.349 -5.417 0.60 44.65 ? 406 PHO a C19 1 +HETATM 55283 C C20 A PHO AF 24 . ? 1.178 3.679 -7.009 0.40 48.38 ? 406 PHO a C20 1 +HETATM 55284 C C20 B PHO AF 24 . ? 1.161 3.655 -6.959 0.60 48.46 ? 406 PHO a C20 1 +HETATM 55285 MG MG . CLA BF 23 . ? -18.855 -1.318 -0.937 1.00 51.00 ? 407 CLA a MG 1 +HETATM 55286 C CHA . CLA BF 23 . ? -19.794 1.294 -3.014 1.00 44.67 ? 407 CLA a CHA 1 +HETATM 55287 C CHB . CLA BF 23 . ? -18.860 0.829 1.680 1.00 57.02 ? 407 CLA a CHB 1 +HETATM 55288 C CHC . CLA BF 23 . ? -18.515 -4.015 1.059 1.00 50.26 ? 407 CLA a CHC 1 +HETATM 55289 C CHD . CLA BF 23 . ? -19.551 -3.582 -3.782 1.00 50.15 ? 407 CLA a CHD 1 +HETATM 55290 N NA . CLA BF 23 . ? -19.311 0.681 -0.680 1.00 59.16 ? 407 CLA a NA 1 +HETATM 55291 C C1A . CLA BF 23 . ? -19.541 1.591 -1.564 1.00 54.03 ? 407 CLA a C1A 1 +HETATM 55292 C C2A . CLA BF 23 . ? -19.573 3.005 -1.078 1.00 51.76 ? 407 CLA a C2A 1 +HETATM 55293 C C3A . CLA BF 23 . ? -19.200 2.831 0.368 1.00 55.42 ? 407 CLA a C3A 1 +HETATM 55294 C C4A . CLA BF 23 . ? -19.118 1.344 0.463 1.00 59.68 ? 407 CLA a C4A 1 +HETATM 55295 C CMA . CLA BF 23 . ? -17.772 3.360 0.430 1.00 47.76 ? 407 CLA a CMA 1 +HETATM 55296 C CAA . CLA BF 23 . ? -21.022 3.507 -1.023 1.00 57.77 ? 407 CLA a CAA 1 +HETATM 55297 C CBA . CLA BF 23 . ? -21.937 2.626 -0.155 1.00 63.40 ? 407 CLA a CBA 1 +HETATM 55298 C CGA . CLA BF 23 . ? -23.346 3.161 -0.001 1.00 73.85 ? 407 CLA a CGA 1 +HETATM 55299 O O1A . CLA BF 23 . ? -23.772 4.034 -0.732 1.00 78.86 ? 407 CLA a O1A 1 +HETATM 55300 O O2A . CLA BF 23 . ? -24.246 2.630 1.013 1.00 67.67 ? 407 CLA a O2A 1 +HETATM 55301 N NB . CLA BF 23 . ? -18.697 -1.542 1.090 1.00 59.04 ? 407 CLA a NB 1 +HETATM 55302 C C1B . CLA BF 23 . ? -18.734 -0.595 2.023 1.00 52.27 ? 407 CLA a C1B 1 +HETATM 55303 C C2B . CLA BF 23 . ? -18.704 -1.098 3.436 1.00 61.50 ? 407 CLA a C2B 1 +HETATM 55304 C C3B . CLA BF 23 . ? -18.609 -2.561 3.218 1.00 54.38 ? 407 CLA a C3B 1 +HETATM 55305 C C4B . CLA BF 23 . ? -18.601 -2.706 1.735 1.00 56.01 ? 407 CLA a C4B 1 +HETATM 55306 C CMB . CLA BF 23 . ? -18.765 -0.318 4.738 1.00 58.44 ? 407 CLA a CMB 1 +HETATM 55307 C CAB . CLA BF 23 . ? -18.533 -3.667 4.210 1.00 56.87 ? 407 CLA a CAB 1 +HETATM 55308 C CBB . CLA BF 23 . ? -17.721 -3.565 5.249 1.00 55.19 ? 407 CLA a CBB 1 +HETATM 55309 N NC . CLA BF 23 . ? -18.997 -3.341 -1.314 1.00 51.29 ? 407 CLA a NC 1 +HETATM 55310 C C1C . CLA BF 23 . ? -18.827 -4.290 -0.361 1.00 58.50 ? 407 CLA a C1C 1 +HETATM 55311 C C2C . CLA BF 23 . ? -18.974 -5.702 -0.844 1.00 56.26 ? 407 CLA a C2C 1 +HETATM 55312 C C3C . CLA BF 23 . ? -19.280 -5.530 -2.275 1.00 56.79 ? 407 CLA a C3C 1 +HETATM 55313 C C4C . CLA BF 23 . ? -19.266 -4.054 -2.426 1.00 57.54 ? 407 CLA a C4C 1 +HETATM 55314 C CMC . CLA BF 23 . ? -18.865 -7.012 -0.099 1.00 51.97 ? 407 CLA a CMC 1 +HETATM 55315 C CAC . CLA BF 23 . ? -19.550 -6.570 -3.342 1.00 53.02 ? 407 CLA a CAC 1 +HETATM 55316 C CBC . CLA BF 23 . ? -21.055 -6.734 -3.403 1.00 50.26 ? 407 CLA a CBC 1 +HETATM 55317 N ND . CLA BF 23 . ? -19.559 -1.279 -2.851 1.00 53.96 ? 407 CLA a ND 1 +HETATM 55318 C C1D . CLA BF 23 . ? -19.701 -2.153 -3.965 1.00 54.69 ? 407 CLA a C1D 1 +HETATM 55319 C C2D . CLA BF 23 . ? -19.982 -1.552 -5.288 1.00 48.87 ? 407 CLA a C2D 1 +HETATM 55320 C C3D . CLA BF 23 . ? -20.017 -0.142 -4.880 1.00 46.86 ? 407 CLA a C3D 1 +HETATM 55321 C C4D . CLA BF 23 . ? -19.789 -0.088 -3.503 1.00 42.62 ? 407 CLA a C4D 1 +HETATM 55322 C CMD . CLA BF 23 . ? -20.192 -2.123 -6.667 1.00 46.21 ? 407 CLA a CMD 1 +HETATM 55323 C CAD . CLA BF 23 . ? -20.200 1.263 -5.339 1.00 51.13 ? 407 CLA a CAD 1 +HETATM 55324 O OBD . CLA BF 23 . ? -20.432 1.581 -6.548 1.00 56.31 ? 407 CLA a OBD 1 +HETATM 55325 C CBD . CLA BF 23 . ? -20.069 2.189 -4.181 1.00 52.04 ? 407 CLA a CBD 1 +HETATM 55326 C CGD . CLA BF 23 . ? -18.967 3.186 -4.418 1.00 54.40 ? 407 CLA a CGD 1 +HETATM 55327 O O1D . CLA BF 23 . ? -17.821 2.971 -4.079 1.00 57.99 ? 407 CLA a O1D 1 +HETATM 55328 O O2D . CLA BF 23 . ? -19.261 4.467 -5.032 1.00 56.39 ? 407 CLA a O2D 1 +HETATM 55329 C CED . CLA BF 23 . ? -18.209 5.386 -5.315 1.00 54.95 ? 407 CLA a CED 1 +HETATM 55330 C C1 . CLA BF 23 . ? -24.937 3.495 1.914 1.00 75.47 ? 407 CLA a C1 1 +HETATM 55331 C C2 . CLA BF 23 . ? -25.406 2.643 3.068 1.00 88.53 ? 407 CLA a C2 1 +HETATM 55332 C C3 . CLA BF 23 . ? -25.874 3.141 4.222 1.00 113.22 ? 407 CLA a C3 1 +HETATM 55333 C C4 . CLA BF 23 . ? -25.956 4.621 4.470 1.00 107.00 ? 407 CLA a C4 1 +HETATM 55334 C C5 . CLA BF 23 . ? -26.314 2.165 5.289 1.00 117.89 ? 407 CLA a C5 1 +HETATM 55335 C C6 . CLA BF 23 . ? -26.154 2.670 6.722 1.00 117.12 ? 407 CLA a C6 1 +HETATM 55336 C C7 . CLA BF 23 . ? -26.879 1.722 7.677 1.00 116.13 ? 407 CLA a C7 1 +HETATM 55337 C C8 . CLA BF 23 . ? -26.671 2.090 9.143 1.00 124.33 ? 407 CLA a C8 1 +HETATM 55338 C C9 . CLA BF 23 . ? -27.604 1.292 10.046 1.00 112.70 ? 407 CLA a C9 1 +HETATM 55339 C C10 . CLA BF 23 . ? -26.912 3.578 9.340 1.00 136.15 ? 407 CLA a C10 1 +HETATM 55340 C C11 . CLA BF 23 . ? -25.823 4.173 10.223 1.00 149.62 ? 407 CLA a C11 1 +HETATM 55341 C C12 . CLA BF 23 . ? -24.530 4.390 9.437 1.00 141.07 ? 407 CLA a C12 1 +HETATM 55342 C C13 . CLA BF 23 . ? -23.706 5.511 10.069 1.00 160.18 ? 407 CLA a C13 1 +HETATM 55343 C C14 . CLA BF 23 . ? -22.513 5.902 9.198 1.00 131.60 ? 407 CLA a C14 1 +HETATM 55344 C C15 . CLA BF 23 . ? -23.300 5.123 11.497 1.00 161.37 ? 407 CLA a C15 1 +HETATM 55345 C C16 . CLA BF 23 . ? -22.412 3.881 11.588 1.00 152.98 ? 407 CLA a C16 1 +HETATM 55346 C C17 . CLA BF 23 . ? -21.920 3.621 13.014 1.00 122.17 ? 407 CLA a C17 1 +HETATM 55347 C C18 . CLA BF 23 . ? -20.760 4.533 13.405 1.00 109.58 ? 407 CLA a C18 1 +HETATM 55348 C C19 . CLA BF 23 . ? -19.563 3.722 13.878 1.00 103.99 ? 407 CLA a C19 1 +HETATM 55349 C C20 . CLA BF 23 . ? -21.158 5.528 14.486 1.00 114.68 ? 407 CLA a C20 1 +HETATM 55350 C C1 . BCR CF 25 . ? -15.505 -11.738 7.927 1.00 67.92 ? 408 BCR a C1 1 +HETATM 55351 C C2 . BCR CF 25 . ? -16.150 -11.909 9.302 1.00 66.02 ? 408 BCR a C2 1 +HETATM 55352 C C3 . BCR CF 25 . ? -17.526 -11.268 9.335 1.00 57.01 ? 408 BCR a C3 1 +HETATM 55353 C C4 . BCR CF 25 . ? -18.432 -12.027 8.381 1.00 68.29 ? 408 BCR a C4 1 +HETATM 55354 C C5 . BCR CF 25 . ? -17.801 -12.185 7.010 1.00 64.56 ? 408 BCR a C5 1 +HETATM 55355 C C6 . BCR CF 25 . ? -16.471 -12.058 6.796 1.00 55.38 ? 408 BCR a C6 1 +HETATM 55356 C C7 . BCR CF 25 . ? -15.908 -12.217 5.423 1.00 57.98 ? 408 BCR a C7 1 +HETATM 55357 C C8 . BCR CF 25 . ? -16.021 -11.247 4.503 1.00 51.80 ? 408 BCR a C8 1 +HETATM 55358 C C9 . BCR CF 25 . ? -15.484 -11.380 3.130 1.00 59.57 ? 408 BCR a C9 1 +HETATM 55359 C C10 . BCR CF 25 . ? -15.784 -10.437 2.207 1.00 57.25 ? 408 BCR a C10 1 +HETATM 55360 C C11 . BCR CF 25 . ? -15.318 -10.445 0.809 1.00 58.31 ? 408 BCR a C11 1 +HETATM 55361 C C33 . BCR CF 25 . ? -18.758 -12.492 5.890 1.00 59.55 ? 408 BCR a C33 1 +HETATM 55362 C C31 . BCR CF 25 . ? -14.280 -12.646 7.845 1.00 57.31 ? 408 BCR a C31 1 +HETATM 55363 C C32 . BCR CF 25 . ? -15.087 -10.272 7.787 1.00 52.77 ? 408 BCR a C32 1 +HETATM 55364 C C34 . BCR CF 25 . ? -14.634 -12.566 2.765 1.00 59.61 ? 408 BCR a C34 1 +HETATM 55365 C C12 . BCR CF 25 . ? -15.694 -9.423 0.021 1.00 54.89 ? 408 BCR a C12 1 +HETATM 55366 C C13 . BCR CF 25 . ? -15.278 -9.310 -1.402 1.00 69.09 ? 408 BCR a C13 1 +HETATM 55367 C C14 . BCR CF 25 . ? -15.583 -8.164 -2.081 1.00 53.39 ? 408 BCR a C14 1 +HETATM 55368 C C15 . BCR CF 25 . ? -15.243 -7.852 -3.479 1.00 55.07 ? 408 BCR a C15 1 +HETATM 55369 C C16 . BCR CF 25 . ? -15.694 -6.744 -4.104 1.00 54.53 ? 408 BCR a C16 1 +HETATM 55370 C C17 . BCR CF 25 . ? -15.287 -6.456 -5.493 1.00 49.25 ? 408 BCR a C17 1 +HETATM 55371 C C18 . BCR CF 25 . ? -15.662 -5.399 -6.259 1.00 52.83 ? 408 BCR a C18 1 +HETATM 55372 C C19 . BCR CF 25 . ? -15.091 -5.290 -7.634 1.00 58.56 ? 408 BCR a C19 1 +HETATM 55373 C C20 . BCR CF 25 . ? -15.400 -4.320 -8.503 1.00 49.09 ? 408 BCR a C20 1 +HETATM 55374 C C21 . BCR CF 25 . ? -14.751 -4.310 -9.824 1.00 55.00 ? 408 BCR a C21 1 +HETATM 55375 C C22 . BCR CF 25 . ? -15.238 -3.678 -10.920 1.00 53.96 ? 408 BCR a C22 1 +HETATM 55376 C C23 . BCR CF 25 . ? -14.549 -3.734 -12.091 1.00 48.03 ? 408 BCR a C23 1 +HETATM 55377 C C24 . BCR CF 25 . ? -14.961 -3.127 -13.218 1.00 47.35 ? 408 BCR a C24 1 +HETATM 55378 C C25 . BCR CF 25 . ? -14.223 -3.156 -14.505 1.00 45.74 ? 408 BCR a C25 1 +HETATM 55379 C C26 . BCR CF 25 . ? -13.110 -2.418 -14.703 1.00 50.34 ? 408 BCR a C26 1 +HETATM 55380 C C27 . BCR CF 25 . ? -12.366 -2.418 -16.016 1.00 51.99 ? 408 BCR a C27 1 +HETATM 55381 C C28 . BCR CF 25 . ? -12.625 -3.698 -16.797 1.00 50.85 ? 408 BCR a C28 1 +HETATM 55382 C C29 . BCR CF 25 . ? -14.122 -3.842 -16.962 1.00 50.28 ? 408 BCR a C29 1 +HETATM 55383 C C30 . BCR CF 25 . ? -14.805 -4.016 -15.606 1.00 59.69 ? 408 BCR a C30 1 +HETATM 55384 C C35 . BCR CF 25 . ? -14.533 -10.463 -2.035 1.00 47.00 ? 408 BCR a C35 1 +HETATM 55385 C C36 . BCR CF 25 . ? -16.617 -4.343 -5.754 1.00 49.19 ? 408 BCR a C36 1 +HETATM 55386 C C37 . BCR CF 25 . ? -16.535 -2.923 -10.826 1.00 50.07 ? 408 BCR a C37 1 +HETATM 55387 C C38 . BCR CF 25 . ? -12.555 -1.537 -13.627 1.00 45.91 ? 408 BCR a C38 1 +HETATM 55388 C C39 . BCR CF 25 . ? -14.696 -5.470 -15.175 1.00 50.90 ? 408 BCR a C39 1 +HETATM 55389 C C40 . BCR CF 25 . ? -16.262 -3.587 -15.770 1.00 50.74 ? 408 BCR a C40 1 +HETATM 55390 O O6 A SQD DF 26 . ? 13.087 11.937 29.155 0.40 76.54 ? 409 SQD a O6 1 +HETATM 55391 O O6 B SQD DF 26 . ? 13.113 11.874 29.132 0.60 76.31 ? 409 SQD a O6 1 +HETATM 55392 C C44 A SQD DF 26 . ? 11.684 11.692 29.130 0.40 70.56 ? 409 SQD a C44 1 +HETATM 55393 C C44 B SQD DF 26 . ? 11.696 11.726 29.107 0.60 70.50 ? 409 SQD a C44 1 +HETATM 55394 C C45 A SQD DF 26 . ? 11.251 11.637 27.679 0.40 75.04 ? 409 SQD a C45 1 +HETATM 55395 C C45 B SQD DF 26 . ? 11.264 11.643 27.656 0.60 75.09 ? 409 SQD a C45 1 +HETATM 55396 C C46 A SQD DF 26 . ? 9.835 12.180 27.581 0.40 70.66 ? 409 SQD a C46 1 +HETATM 55397 C C46 B SQD DF 26 . ? 9.845 12.175 27.528 0.60 70.62 ? 409 SQD a C46 1 +HETATM 55398 O O47 A SQD DF 26 . ? 12.134 12.467 26.917 0.40 78.90 ? 409 SQD a O47 1 +HETATM 55399 O O47 B SQD DF 26 . ? 12.148 12.451 26.875 0.60 78.92 ? 409 SQD a O47 1 +HETATM 55400 C C7 A SQD DF 26 . ? 12.794 11.689 25.882 0.40 73.71 ? 409 SQD a C7 1 +HETATM 55401 C C7 B SQD DF 26 . ? 12.867 11.631 25.915 0.60 73.67 ? 409 SQD a C7 1 +HETATM 55402 O O49 A SQD DF 26 . ? 12.501 10.510 25.806 0.40 72.13 ? 409 SQD a O49 1 +HETATM 55403 O O49 B SQD DF 26 . ? 12.656 10.430 25.927 0.60 72.31 ? 409 SQD a O49 1 +HETATM 55404 C C8 A SQD DF 26 . ? 13.824 12.282 24.943 0.40 82.59 ? 409 SQD a C8 1 +HETATM 55405 C C8 B SQD DF 26 . ? 13.869 12.228 24.948 0.60 82.65 ? 409 SQD a C8 1 +HETATM 55406 C C9 A SQD DF 26 . ? 13.379 13.629 24.380 0.40 86.55 ? 409 SQD a C9 1 +HETATM 55407 C C9 B SQD DF 26 . ? 13.408 13.567 24.381 0.60 86.54 ? 409 SQD a C9 1 +HETATM 55408 C C10 A SQD DF 26 . ? 12.383 13.471 23.238 0.40 88.32 ? 409 SQD a C10 1 +HETATM 55409 C C10 B SQD DF 26 . ? 12.348 13.422 23.296 0.60 88.36 ? 409 SQD a C10 1 +HETATM 55410 C C11 A SQD DF 26 . ? 12.175 14.815 22.545 0.40 97.09 ? 409 SQD a C11 1 +HETATM 55411 C C11 B SQD DF 26 . ? 12.191 14.753 22.565 0.60 97.21 ? 409 SQD a C11 1 +HETATM 55412 C C12 A SQD DF 26 . ? 10.701 15.118 22.293 0.40 102.33 ? 409 SQD a C12 1 +HETATM 55413 C C12 B SQD DF 26 . ? 10.738 15.086 22.242 0.60 102.48 ? 409 SQD a C12 1 +HETATM 55414 C C13 A SQD DF 26 . ? 10.168 14.381 21.070 0.40 86.73 ? 409 SQD a C13 1 +HETATM 55415 C C13 B SQD DF 26 . ? 10.251 14.376 20.982 0.60 86.61 ? 409 SQD a C13 1 +HETATM 55416 C C14 A SQD DF 26 . ? 9.066 15.196 20.400 0.40 92.43 ? 409 SQD a C14 1 +HETATM 55417 C C14 B SQD DF 26 . ? 9.094 15.147 20.354 0.60 92.44 ? 409 SQD a C14 1 +HETATM 55418 C C15 A SQD DF 26 . ? 9.659 16.102 19.325 0.40 89.95 ? 409 SQD a C15 1 +HETATM 55419 C C15 B SQD DF 26 . ? 9.614 16.082 19.268 0.60 89.95 ? 409 SQD a C15 1 +HETATM 55420 C C16 A SQD DF 26 . ? 10.134 15.284 18.130 0.40 79.50 ? 409 SQD a C16 1 +HETATM 55421 C C16 B SQD DF 26 . ? 10.226 15.282 18.125 0.60 79.48 ? 409 SQD a C16 1 +HETATM 55422 C C17 A SQD DF 26 . ? 10.665 16.159 16.994 0.40 80.46 ? 409 SQD a C17 1 +HETATM 55423 C C17 B SQD DF 26 . ? 10.727 16.178 16.993 0.60 80.63 ? 409 SQD a C17 1 +HETATM 55424 C C18 A SQD DF 26 . ? 9.557 16.940 16.295 0.40 82.59 ? 409 SQD a C18 1 +HETATM 55425 C C18 B SQD DF 26 . ? 9.605 16.984 16.348 0.60 82.79 ? 409 SQD a C18 1 +HETATM 55426 C C19 A SQD DF 26 . ? 10.034 17.531 14.966 0.40 79.85 ? 409 SQD a C19 1 +HETATM 55427 C C19 B SQD DF 26 . ? 10.048 17.575 15.010 0.60 79.93 ? 409 SQD a C19 1 +HETATM 55428 C C20 A SQD DF 26 . ? 10.469 16.411 14.032 0.40 80.46 ? 409 SQD a C20 1 +HETATM 55429 C C20 B SQD DF 26 . ? 10.446 16.468 14.045 0.60 80.76 ? 409 SQD a C20 1 +HETATM 55430 C C21 A SQD DF 26 . ? 10.426 16.832 12.567 0.40 61.82 ? 409 SQD a C21 1 +HETATM 55431 C C21 B SQD DF 26 . ? 10.426 16.960 12.606 0.60 61.92 ? 409 SQD a C21 1 +HETATM 55432 C C22 A SQD DF 26 . ? 11.231 18.097 12.411 0.40 84.75 ? 409 SQD a C22 1 +HETATM 55433 C C22 B SQD DF 26 . ? 11.344 18.153 12.478 0.60 85.37 ? 409 SQD a C22 1 +HETATM 55434 O O48 A SQD DF 26 . ? 9.921 13.568 27.881 0.40 75.80 ? 409 SQD a O48 1 +HETATM 55435 O O48 B SQD DF 26 . ? 9.892 13.557 27.860 0.60 75.79 ? 409 SQD a O48 1 +HETATM 55436 C C23 A SQD DF 26 . ? 9.286 14.527 27.006 0.40 79.64 ? 409 SQD a C23 1 +HETATM 55437 C C23 B SQD DF 26 . ? 9.257 14.537 27.004 0.60 79.63 ? 409 SQD a C23 1 +HETATM 55438 O O10 A SQD DF 26 . ? 8.836 14.134 25.939 0.40 83.17 ? 409 SQD a O10 1 +HETATM 55439 O O10 B SQD DF 26 . ? 8.805 14.176 25.930 0.60 83.29 ? 409 SQD a O10 1 +HETATM 55440 C C24 A SQD DF 26 . ? 9.210 15.973 27.431 0.40 85.90 ? 409 SQD a C24 1 +HETATM 55441 C C24 B SQD DF 26 . ? 9.176 15.976 27.452 0.60 85.92 ? 409 SQD a C24 1 +HETATM 55442 C C25 A SQD DF 26 . ? 8.945 16.886 26.238 0.40 100.11 ? 409 SQD a C25 1 +HETATM 55443 C C25 B SQD DF 26 . ? 8.925 16.884 26.255 0.60 100.26 ? 409 SQD a C25 1 +HETATM 55444 C C26 A SQD DF 26 . ? 8.417 18.243 26.697 0.40 97.67 ? 409 SQD a C26 1 +HETATM 55445 C C26 B SQD DF 26 . ? 8.418 18.253 26.698 0.60 97.68 ? 409 SQD a C26 1 +HETATM 55446 C C27 A SQD DF 26 . ? 8.593 19.287 25.601 0.40 102.69 ? 409 SQD a C27 1 +HETATM 55447 C C27 B SQD DF 26 . ? 8.628 19.282 25.598 0.60 102.64 ? 409 SQD a C27 1 +HETATM 55448 C C28 A SQD DF 26 . ? 7.807 20.559 25.891 0.40 106.20 ? 409 SQD a C28 1 +HETATM 55449 C C28 B SQD DF 26 . ? 7.843 20.559 25.866 0.60 106.21 ? 409 SQD a C28 1 +HETATM 55450 C C29 A SQD DF 26 . ? 8.221 21.637 24.899 0.40 105.06 ? 409 SQD a C29 1 +HETATM 55451 C C29 B SQD DF 26 . ? 8.201 21.593 24.808 0.60 104.96 ? 409 SQD a C29 1 +HETATM 55452 C C30 A SQD DF 26 . ? 7.051 22.548 24.553 0.40 110.15 ? 409 SQD a C30 1 +HETATM 55453 C C30 B SQD DF 26 . ? 7.077 22.599 24.604 0.60 110.20 ? 409 SQD a C30 1 +HETATM 55454 C C31 A SQD DF 26 . ? 7.389 23.432 23.356 0.40 121.53 ? 409 SQD a C31 1 +HETATM 55455 C C31 B SQD DF 26 . ? 7.371 23.471 23.387 0.60 121.67 ? 409 SQD a C31 1 +HETATM 55456 C C32 A SQD DF 26 . ? 6.451 24.632 23.268 0.40 123.87 ? 409 SQD a C32 1 +HETATM 55457 C C32 B SQD DF 26 . ? 6.422 24.662 23.302 0.60 123.97 ? 409 SQD a C32 1 +HETATM 55458 C C33 A SQD DF 26 . ? 6.625 25.553 24.474 0.40 121.45 ? 409 SQD a C33 1 +HETATM 55459 C C33 B SQD DF 26 . ? 6.605 25.594 24.496 0.60 121.52 ? 409 SQD a C33 1 +HETATM 55460 C C34 A SQD DF 26 . ? 8.068 26.030 24.605 0.40 117.94 ? 409 SQD a C34 1 +HETATM 55461 C C34 B SQD DF 26 . ? 8.053 26.058 24.621 0.60 117.97 ? 409 SQD a C34 1 +HETATM 55462 C C35 A SQD DF 26 . ? 8.209 27.029 25.748 0.40 116.42 ? 409 SQD a C35 1 +HETATM 55463 C C35 B SQD DF 26 . ? 8.211 27.062 25.757 0.60 116.50 ? 409 SQD a C35 1 +HETATM 55464 C C36 A SQD DF 26 . ? 7.594 28.373 25.373 0.40 116.33 ? 409 SQD a C36 1 +HETATM 55465 C C36 B SQD DF 26 . ? 7.617 28.415 25.379 0.60 116.35 ? 409 SQD a C36 1 +HETATM 55466 C C37 A SQD DF 26 . ? 8.606 29.277 24.675 0.40 122.52 ? 409 SQD a C37 1 +HETATM 55467 C C37 B SQD DF 26 . ? 8.629 29.284 24.637 0.60 122.65 ? 409 SQD a C37 1 +HETATM 55468 C C38 A SQD DF 26 . ? 9.398 30.104 25.667 0.40 106.79 ? 409 SQD a C38 1 +HETATM 55469 C C38 B SQD DF 26 . ? 9.488 30.084 25.592 0.60 106.77 ? 409 SQD a C38 1 +HETATM 55470 C C1 A SQD DF 26 . ? 13.602 11.144 30.192 0.40 78.15 ? 409 SQD a C1 1 +HETATM 55471 C C1 B SQD DF 26 . ? 13.598 11.056 30.171 0.60 78.13 ? 409 SQD a C1 1 +HETATM 55472 C C2 A SQD DF 26 . ? 15.093 10.899 30.193 0.40 81.78 ? 409 SQD a C2 1 +HETATM 55473 C C2 B SQD DF 26 . ? 15.092 10.811 30.197 0.60 81.82 ? 409 SQD a C2 1 +HETATM 55474 O O2 A SQD DF 26 . ? 15.616 10.702 28.882 0.40 76.84 ? 409 SQD a O2 1 +HETATM 55475 O O2 B SQD DF 26 . ? 15.608 10.535 28.899 0.60 76.51 ? 409 SQD a O2 1 +HETATM 55476 C C3 A SQD DF 26 . ? 15.182 9.613 30.996 0.40 79.09 ? 409 SQD a C3 1 +HETATM 55477 C C3 B SQD DF 26 . ? 15.231 9.564 31.053 0.60 79.10 ? 409 SQD a C3 1 +HETATM 55478 O O3 A SQD DF 26 . ? 16.542 9.192 31.097 0.40 83.81 ? 409 SQD a O3 1 +HETATM 55479 O O3 B SQD DF 26 . ? 16.614 9.246 31.234 0.60 84.50 ? 409 SQD a O3 1 +HETATM 55480 C C4 A SQD DF 26 . ? 14.547 9.785 32.378 0.40 77.01 ? 409 SQD a C4 1 +HETATM 55481 C C4 B SQD DF 26 . ? 14.541 9.728 32.406 0.60 76.97 ? 409 SQD a C4 1 +HETATM 55482 O O4 A SQD DF 26 . ? 14.285 8.470 32.871 0.40 84.24 ? 409 SQD a O4 1 +HETATM 55483 O O4 B SQD DF 26 . ? 14.277 8.405 32.882 0.60 84.42 ? 409 SQD a O4 1 +HETATM 55484 C C5 A SQD DF 26 . ? 13.216 10.551 32.351 0.40 81.27 ? 409 SQD a C5 1 +HETATM 55485 C C5 B SQD DF 26 . ? 13.199 10.467 32.342 0.60 81.28 ? 409 SQD a C5 1 +HETATM 55486 C C6 A SQD DF 26 . ? 12.734 10.992 33.728 0.40 81.27 ? 409 SQD a C6 1 +HETATM 55487 C C6 B SQD DF 26 . ? 12.730 10.926 33.714 0.60 81.14 ? 409 SQD a C6 1 +HETATM 55488 O O5 A SQD DF 26 . ? 13.273 11.674 31.470 0.40 84.89 ? 409 SQD a O5 1 +HETATM 55489 O O5 B SQD DF 26 . ? 13.238 11.575 31.445 0.60 85.09 ? 409 SQD a O5 1 +HETATM 55490 S S A SQD DF 26 . ? 11.136 11.457 33.609 0.40 74.76 ? 409 SQD a S 1 +HETATM 55491 S S B SQD DF 26 . ? 11.154 11.450 33.613 0.60 74.52 ? 409 SQD a S 1 +HETATM 55492 O O7 A SQD DF 26 . ? 10.533 11.528 34.954 0.40 90.30 ? 409 SQD a O7 1 +HETATM 55493 O O7 B SQD DF 26 . ? 10.617 11.579 34.979 0.60 90.56 ? 409 SQD a O7 1 +HETATM 55494 O O8 A SQD DF 26 . ? 11.052 12.772 32.950 0.40 80.86 ? 409 SQD a O8 1 +HETATM 55495 O O8 B SQD DF 26 . ? 11.087 12.757 32.932 0.60 80.82 ? 409 SQD a O8 1 +HETATM 55496 O O9 A SQD DF 26 . ? 10.347 10.469 32.851 0.40 81.44 ? 409 SQD a O9 1 +HETATM 55497 O O9 B SQD DF 26 . ? 10.313 10.458 32.917 0.60 81.56 ? 409 SQD a O9 1 +HETATM 55498 O O6 . SQD EF 26 . ? -8.377 -20.398 9.780 1.00 112.76 ? 410 SQD a O6 1 +HETATM 55499 C C44 . SQD EF 26 . ? -7.003 -20.359 9.383 1.00 91.50 ? 410 SQD a C44 1 +HETATM 55500 C C45 . SQD EF 26 . ? -6.631 -18.910 9.087 1.00 95.32 ? 410 SQD a C45 1 +HETATM 55501 C C46 . SQD EF 26 . ? -6.120 -18.778 7.657 1.00 82.79 ? 410 SQD a C46 1 +HETATM 55502 O O47 . SQD EF 26 . ? -7.807 -18.113 9.233 1.00 103.97 ? 410 SQD a O47 1 +HETATM 55503 C C7 . SQD EF 26 . ? -7.627 -16.926 10.050 1.00 73.82 ? 410 SQD a C7 1 +HETATM 55504 O O49 . SQD EF 26 . ? -6.561 -16.734 10.614 1.00 88.59 ? 410 SQD a O49 1 +HETATM 55505 C C8 . SQD EF 26 . ? -8.771 -15.957 10.218 1.00 75.03 ? 410 SQD a C8 1 +HETATM 55506 C C9 . SQD EF 26 . ? -9.231 -15.404 8.872 1.00 89.07 ? 410 SQD a C9 1 +HETATM 55507 C C10 . SQD EF 26 . ? -8.263 -14.365 8.333 1.00 67.11 ? 410 SQD a C10 1 +HETATM 55508 C C11 . SQD EF 26 . ? -8.760 -13.816 7.006 1.00 86.17 ? 410 SQD a C11 1 +HETATM 55509 C C12 . SQD EF 26 . ? -7.800 -12.732 6.532 1.00 91.40 ? 410 SQD a C12 1 +HETATM 55510 C C13 . SQD EF 26 . ? -8.221 -12.143 5.189 1.00 103.24 ? 410 SQD a C13 1 +HETATM 55511 C C14 . SQD EF 26 . ? -7.369 -10.914 4.898 1.00 89.14 ? 410 SQD a C14 1 +HETATM 55512 C C15 . SQD EF 26 . ? -7.815 -10.171 3.649 1.00 79.85 ? 410 SQD a C15 1 +HETATM 55513 C C16 . SQD EF 26 . ? -6.813 -9.059 3.350 1.00 76.69 ? 410 SQD a C16 1 +HETATM 55514 C C17 . SQD EF 26 . ? -7.287 -8.204 2.179 1.00 88.32 ? 410 SQD a C17 1 +HETATM 55515 C C18 . SQD EF 26 . ? -6.135 -7.464 1.512 1.00 81.58 ? 410 SQD a C18 1 +HETATM 55516 C C19 . SQD EF 26 . ? -5.498 -8.275 0.391 1.00 68.92 ? 410 SQD a C19 1 +HETATM 55517 C C20 . SQD EF 26 . ? -4.130 -7.681 0.075 1.00 88.98 ? 410 SQD a C20 1 +HETATM 55518 C C21 . SQD EF 26 . ? -3.203 -8.712 -0.556 1.00 88.88 ? 410 SQD a C21 1 +HETATM 55519 C C22 . SQD EF 26 . ? -3.842 -9.303 -1.790 1.00 104.82 ? 410 SQD a C22 1 +HETATM 55520 O O48 . SQD EF 26 . ? -7.109 -19.262 6.751 1.00 86.95 ? 410 SQD a O48 1 +HETATM 55521 C C23 . SQD EF 26 . ? -7.378 -18.549 5.510 1.00 95.59 ? 410 SQD a C23 1 +HETATM 55522 O O10 . SQD EF 26 . ? -7.148 -17.353 5.479 1.00 100.75 ? 410 SQD a O10 1 +HETATM 55523 C C24 . SQD EF 26 . ? -7.933 -19.266 4.293 1.00 82.63 ? 410 SQD a C24 1 +HETATM 55524 C C25 . SQD EF 26 . ? -9.319 -18.740 3.909 1.00 82.85 ? 410 SQD a C25 1 +HETATM 55525 C C26 . SQD EF 26 . ? -9.861 -19.533 2.720 1.00 87.39 ? 410 SQD a C26 1 +HETATM 55526 C C27 . SQD EF 26 . ? -11.387 -19.631 2.656 1.00 80.98 ? 410 SQD a C27 1 +HETATM 55527 C C28 . SQD EF 26 . ? -11.975 -18.556 1.746 1.00 100.45 ? 410 SQD a C28 1 +HETATM 55528 C C29 . SQD EF 26 . ? -13.283 -19.001 1.098 1.00 88.01 ? 410 SQD a C29 1 +HETATM 55529 C C30 . SQD EF 26 . ? -14.063 -17.796 0.572 1.00 118.29 ? 410 SQD a C30 1 +HETATM 55530 C C31 . SQD EF 26 . ? -13.256 -16.943 -0.412 1.00 125.09 ? 410 SQD a C31 1 +HETATM 55531 C C32 . SQD EF 26 . ? -13.874 -15.555 -0.615 1.00 118.47 ? 410 SQD a C32 1 +HETATM 55532 C C33 . SQD EF 26 . ? -13.143 -14.736 -1.680 1.00 111.88 ? 410 SQD a C33 1 +HETATM 55533 C C34 . SQD EF 26 . ? -13.890 -14.733 -3.015 1.00 112.09 ? 410 SQD a C34 1 +HETATM 55534 C C35 . SQD EF 26 . ? -13.152 -13.893 -4.058 1.00 109.59 ? 410 SQD a C35 1 +HETATM 55535 C C36 . SQD EF 26 . ? -13.994 -13.607 -5.308 1.00 106.37 ? 410 SQD a C36 1 +HETATM 55536 C C37 . SQD EF 26 . ? -13.274 -12.611 -6.218 1.00 97.15 ? 410 SQD a C37 1 +HETATM 55537 C C38 . SQD EF 26 . ? -14.061 -12.255 -7.465 1.00 104.94 ? 410 SQD a C38 1 +HETATM 55538 C C1 . SQD EF 26 . ? -8.597 -21.142 10.985 1.00 134.35 ? 410 SQD a C1 1 +HETATM 55539 C C2 . SQD EF 26 . ? -9.995 -20.850 11.526 1.00 121.42 ? 410 SQD a C2 1 +HETATM 55540 O O2 . SQD EF 26 . ? -10.147 -19.438 11.728 1.00 93.27 ? 410 SQD a O2 1 +HETATM 55541 C C3 . SQD EF 26 . ? -10.222 -21.572 12.850 1.00 132.41 ? 410 SQD a C3 1 +HETATM 55542 O O3 . SQD EF 26 . ? -11.626 -21.815 13.001 1.00 136.48 ? 410 SQD a O3 1 +HETATM 55543 C C4 . SQD EF 26 . ? -9.443 -22.891 12.981 1.00 135.70 ? 410 SQD a C4 1 +HETATM 55544 O O4 . SQD EF 26 . ? -8.323 -22.711 13.865 1.00 142.98 ? 410 SQD a O4 1 +HETATM 55545 C C5 . SQD EF 26 . ? -8.961 -23.500 11.654 1.00 131.18 ? 410 SQD a C5 1 +HETATM 55546 C C6 . SQD EF 26 . ? -10.074 -24.264 10.928 1.00 154.12 ? 410 SQD a C6 1 +HETATM 55547 O O5 . SQD EF 26 . ? -8.368 -22.542 10.757 1.00 139.40 ? 410 SQD a O5 1 +HETATM 55548 S S . SQD EF 26 . ? -9.509 -25.104 9.596 1.00 136.36 ? 410 SQD a S 1 +HETATM 55549 O O7 . SQD EF 26 . ? -8.045 -24.910 9.442 1.00 100.23 ? 410 SQD a O7 1 +HETATM 55550 O O8 . SQD EF 26 . ? -9.809 -26.552 9.767 1.00 103.34 ? 410 SQD a O8 1 +HETATM 55551 O O9 . SQD EF 26 . ? -10.239 -24.599 8.406 1.00 101.45 ? 410 SQD a O9 1 +HETATM 55552 O O1 A OEX FF 28 . ? -5.658 24.336 -10.894 0.40 48.70 ? 411 OEX a O1 1 +HETATM 55553 O O1 B OEX FF 28 . ? -5.643 24.476 -10.951 0.60 48.41 ? 411 OEX a O1 1 +HETATM 55554 CA CA1 A OEX FF 28 . ? -6.094 22.189 -9.533 0.40 56.49 ? 411 OEX a CA1 1 +HETATM 55555 CA CA1 B OEX FF 28 . ? -5.993 22.351 -9.455 0.60 54.70 ? 411 OEX a CA1 1 +HETATM 55556 MN MN1 A OEX FF 28 . ? -4.401 23.892 -12.098 0.40 50.10 ? 411 OEX a MN1 1 +HETATM 55557 MN MN1 B OEX FF 28 . ? -4.427 23.928 -12.130 0.60 49.86 ? 411 OEX a MN1 1 +HETATM 55558 O O2 A OEX FF 28 . ? -7.749 22.707 -11.536 0.40 51.62 ? 411 OEX a O2 1 +HETATM 55559 O O2 B OEX FF 28 . ? -7.642 22.666 -11.603 0.60 51.44 ? 411 OEX a O2 1 +HETATM 55560 MN MN2 A OEX FF 28 . ? -7.122 24.390 -11.881 0.40 51.49 ? 411 OEX a MN2 1 +HETATM 55561 MN MN2 B OEX FF 28 . ? -7.125 24.357 -11.903 0.60 51.56 ? 411 OEX a MN2 1 +HETATM 55562 O O3 A OEX FF 28 . ? -5.913 23.547 -13.101 0.40 48.12 ? 411 OEX a O3 1 +HETATM 55563 O O3 B OEX FF 28 . ? -5.901 23.574 -13.180 0.60 48.14 ? 411 OEX a O3 1 +HETATM 55564 MN MN3 A OEX FF 28 . ? -6.845 21.827 -12.866 0.40 51.65 ? 411 OEX a MN3 1 +HETATM 55565 MN MN3 B OEX FF 28 . ? -6.765 21.830 -12.859 0.60 51.65 ? 411 OEX a MN3 1 +HETATM 55566 O O4 A OEX FF 28 . ? -7.862 20.243 -12.650 0.40 51.07 ? 411 OEX a O4 1 +HETATM 55567 O O4 B OEX FF 28 . ? -7.647 20.136 -12.680 0.60 50.62 ? 411 OEX a O4 1 +HETATM 55568 MN MN4 A OEX FF 28 . ? -6.063 19.363 -12.006 0.40 49.28 ? 411 OEX a MN4 1 +HETATM 55569 MN MN4 B OEX FF 28 . ? -5.974 19.200 -12.081 0.60 50.40 ? 411 OEX a MN4 1 +HETATM 55570 O O5 A OEX FF 28 . ? -5.120 21.416 -11.836 0.40 52.32 ? 411 OEX a O5 1 +HETATM 55571 O O5 B OEX FF 28 . ? -5.118 21.379 -11.759 0.60 52.39 ? 411 OEX a O5 1 +HETATM 55572 C C2 A PL9 GF 29 . ? 22.240 6.404 20.701 0.40 97.57 ? 412 PL9 a C2 1 +HETATM 55573 C C2 B PL9 GF 29 . ? 22.239 6.390 20.655 0.60 97.58 ? 412 PL9 a C2 1 +HETATM 55574 C C3 A PL9 GF 29 . ? 21.578 5.643 19.731 0.40 103.16 ? 412 PL9 a C3 1 +HETATM 55575 C C3 B PL9 GF 29 . ? 21.585 5.626 19.685 0.60 103.44 ? 412 PL9 a C3 1 +HETATM 55576 C C4 A PL9 GF 29 . ? 21.519 4.153 19.832 0.40 99.55 ? 412 PL9 a C4 1 +HETATM 55577 C C4 B PL9 GF 29 . ? 21.509 4.137 19.803 0.60 99.82 ? 412 PL9 a C4 1 +HETATM 55578 C C5 A PL9 GF 29 . ? 22.080 3.489 21.045 0.40 102.61 ? 412 PL9 a C5 1 +HETATM 55579 C C5 B PL9 GF 29 . ? 22.053 3.485 21.029 0.60 102.89 ? 412 PL9 a C5 1 +HETATM 55580 C C6 A PL9 GF 29 . ? 22.748 4.350 22.064 0.40 96.15 ? 412 PL9 a C6 1 +HETATM 55581 C C6 B PL9 GF 29 . ? 22.721 4.350 22.042 0.60 96.10 ? 412 PL9 a C6 1 +HETATM 55582 C C1 A PL9 GF 29 . ? 22.829 5.821 21.823 0.40 104.98 ? 412 PL9 a C1 1 +HETATM 55583 C C1 B PL9 GF 29 . ? 22.805 5.817 21.795 0.60 105.15 ? 412 PL9 a C1 1 +HETATM 55584 C C7 A PL9 GF 29 . ? 21.064 6.348 18.496 0.40 93.07 ? 412 PL9 a C7 1 +HETATM 55585 C C7 B PL9 GF 29 . ? 21.056 6.325 18.453 0.60 93.00 ? 412 PL9 a C7 1 +HETATM 55586 C C8 A PL9 GF 29 . ? 20.816 7.821 18.709 0.40 105.21 ? 412 PL9 a C8 1 +HETATM 55587 C C8 B PL9 GF 29 . ? 20.760 7.790 18.668 0.60 105.41 ? 412 PL9 a C8 1 +HETATM 55588 C C9 A PL9 GF 29 . ? 20.178 8.516 17.764 0.40 100.56 ? 412 PL9 a C9 1 +HETATM 55589 C C9 B PL9 GF 29 . ? 20.102 8.478 17.731 0.60 100.71 ? 412 PL9 a C9 1 +HETATM 55590 C C10 A PL9 GF 29 . ? 19.693 7.766 16.558 0.40 92.84 ? 412 PL9 a C10 1 +HETATM 55591 C C10 B PL9 GF 29 . ? 19.624 7.738 16.520 0.60 93.04 ? 412 PL9 a C10 1 +HETATM 55592 C C11 A PL9 GF 29 . ? 19.681 9.917 18.047 0.40 92.46 ? 412 PL9 a C11 1 +HETATM 55593 C C11 B PL9 GF 29 . ? 19.610 9.881 18.007 0.60 92.34 ? 412 PL9 a C11 1 +HETATM 55594 C C12 A PL9 GF 29 . ? 20.776 10.839 18.575 0.40 108.39 ? 412 PL9 a C12 1 +HETATM 55595 C C12 B PL9 GF 29 . ? 20.722 10.795 18.513 0.60 108.51 ? 412 PL9 a C12 1 +HETATM 55596 C C13 A PL9 GF 29 . ? 21.073 11.834 17.479 0.40 112.59 ? 412 PL9 a C13 1 +HETATM 55597 C C13 B PL9 GF 29 . ? 20.985 11.812 17.427 0.60 112.88 ? 412 PL9 a C13 1 +HETATM 55598 C C14 A PL9 GF 29 . ? 21.437 13.104 17.701 0.40 107.01 ? 412 PL9 a C14 1 +HETATM 55599 C C14 B PL9 GF 29 . ? 21.406 13.060 17.672 0.60 106.96 ? 412 PL9 a C14 1 +HETATM 55600 C C15 A PL9 GF 29 . ? 21.573 13.629 19.099 0.40 111.82 ? 412 PL9 a C15 1 +HETATM 55601 C C15 B PL9 GF 29 . ? 21.621 13.528 19.080 0.60 111.69 ? 412 PL9 a C15 1 +HETATM 55602 C C16 A PL9 GF 29 . ? 21.624 14.002 16.495 0.40 118.27 ? 412 PL9 a C16 1 +HETATM 55603 C C16 B PL9 GF 29 . ? 21.574 13.997 16.495 0.60 118.45 ? 412 PL9 a C16 1 +HETATM 55604 C C17 A PL9 GF 29 . ? 22.105 15.391 16.884 0.40 115.54 ? 412 PL9 a C17 1 +HETATM 55605 C C17 B PL9 GF 29 . ? 22.083 15.364 16.928 0.60 115.57 ? 412 PL9 a C17 1 +HETATM 55606 C C18 A PL9 GF 29 . ? 23.533 15.541 16.425 0.40 111.93 ? 412 PL9 a C18 1 +HETATM 55607 C C18 B PL9 GF 29 . ? 23.514 15.504 16.473 0.60 111.94 ? 412 PL9 a C18 1 +HETATM 55608 C C19 A PL9 GF 29 . ? 24.377 16.326 17.108 0.40 119.93 ? 412 PL9 a C19 1 +HETATM 55609 C C19 B PL9 GF 29 . ? 24.358 16.318 17.120 0.60 120.06 ? 412 PL9 a C19 1 +HETATM 55610 C C20 A PL9 GF 29 . ? 23.923 17.067 18.332 0.40 124.44 ? 412 PL9 a C20 1 +HETATM 55611 C C20 B PL9 GF 29 . ? 23.895 17.124 18.297 0.60 124.57 ? 412 PL9 a C20 1 +HETATM 55612 C C21 A PL9 GF 29 . ? 25.813 16.432 16.671 0.40 115.94 ? 412 PL9 a C21 1 +HETATM 55613 C C21 B PL9 GF 29 . ? 25.793 16.407 16.676 0.60 116.05 ? 412 PL9 a C21 1 +HETATM 55614 C C22 A PL9 GF 29 . ? 25.967 17.600 15.713 0.40 113.18 ? 412 PL9 a C22 1 +HETATM 55615 C C22 B PL9 GF 29 . ? 25.955 17.592 15.740 0.60 113.23 ? 412 PL9 a C22 1 +HETATM 55616 C C23 A PL9 GF 29 . ? 27.409 17.617 15.282 0.40 104.37 ? 412 PL9 a C23 1 +HETATM 55617 C C23 B PL9 GF 29 . ? 27.396 17.630 15.302 0.60 104.33 ? 412 PL9 a C23 1 +HETATM 55618 C C24 A PL9 GF 29 . ? 27.905 18.656 14.608 0.40 108.10 ? 412 PL9 a C24 1 +HETATM 55619 C C24 B PL9 GF 29 . ? 27.872 18.678 14.622 0.60 108.15 ? 412 PL9 a C24 1 +HETATM 55620 C C25 A PL9 GF 29 . ? 27.051 19.859 14.306 0.40 115.64 ? 412 PL9 a C25 1 +HETATM 55621 C C25 B PL9 GF 29 . ? 26.988 19.846 14.291 0.60 115.68 ? 412 PL9 a C25 1 +HETATM 55622 C C26 A PL9 GF 29 . ? 29.360 18.630 14.216 0.40 110.05 ? 412 PL9 a C26 1 +HETATM 55623 C C26 B PL9 GF 29 . ? 29.317 18.663 14.192 0.60 110.20 ? 412 PL9 a C26 1 +HETATM 55624 C C27 A PL9 GF 29 . ? 29.867 20.064 14.216 0.40 115.40 ? 412 PL9 a C27 1 +HETATM 55625 C C27 B PL9 GF 29 . ? 29.840 20.091 14.167 0.60 115.50 ? 412 PL9 a C27 1 +HETATM 55626 C C28 A PL9 GF 29 . ? 31.353 20.043 14.458 0.40 110.76 ? 412 PL9 a C28 1 +HETATM 55627 C C28 B PL9 GF 29 . ? 31.338 20.048 14.328 0.60 110.89 ? 412 PL9 a C28 1 +HETATM 55628 C C29 A PL9 GF 29 . ? 32.003 21.198 14.606 0.40 111.67 ? 412 PL9 a C29 1 +HETATM 55629 C C29 B PL9 GF 29 . ? 32.004 21.175 14.587 0.60 111.68 ? 412 PL9 a C29 1 +HETATM 55630 C C30 A PL9 GF 29 . ? 31.239 22.488 14.569 0.40 108.61 ? 412 PL9 a C30 1 +HETATM 55631 C C30 B PL9 GF 29 . ? 31.245 22.460 14.766 0.60 108.66 ? 412 PL9 a C30 1 +HETATM 55632 C C31 A PL9 GF 29 . ? 33.492 21.181 14.835 0.40 109.79 ? 412 PL9 a C31 1 +HETATM 55633 C C31 B PL9 GF 29 . ? 33.503 21.136 14.745 0.60 109.79 ? 412 PL9 a C31 1 +HETATM 55634 C C32 A PL9 GF 29 . ? 33.952 22.610 15.061 0.40 110.45 ? 412 PL9 a C32 1 +HETATM 55635 C C32 B PL9 GF 29 . ? 33.959 22.532 15.139 0.60 110.52 ? 412 PL9 a C32 1 +HETATM 55636 C C33 A PL9 GF 29 . ? 35.392 22.629 15.508 0.40 108.66 ? 412 PL9 a C33 1 +HETATM 55637 C C33 B PL9 GF 29 . ? 35.406 22.555 15.566 0.60 108.71 ? 412 PL9 a C33 1 +HETATM 55638 C C34 A PL9 GF 29 . ? 35.785 23.601 16.336 0.40 110.70 ? 412 PL9 a C34 1 +HETATM 55639 C C34 B PL9 GF 29 . ? 35.799 23.569 16.346 0.60 110.84 ? 412 PL9 a C34 1 +HETATM 55640 C C35 A PL9 GF 29 . ? 34.726 24.475 16.937 0.40 108.06 ? 412 PL9 a C35 1 +HETATM 55641 C C35 B PL9 GF 29 . ? 34.752 24.499 16.883 0.60 108.14 ? 412 PL9 a C35 1 +HETATM 55642 C C36 A PL9 GF 29 . ? 37.227 23.704 16.783 0.40 107.24 ? 412 PL9 a C36 1 +HETATM 55643 C C36 B PL9 GF 29 . ? 37.241 23.707 16.783 0.60 107.28 ? 412 PL9 a C36 1 +HETATM 55644 C C37 A PL9 GF 29 . ? 37.493 22.662 17.869 0.40 103.84 ? 412 PL9 a C37 1 +HETATM 55645 C C37 B PL9 GF 29 . ? 37.541 22.634 17.824 0.60 103.85 ? 412 PL9 a C37 1 +HETATM 55646 C C38 A PL9 GF 29 . ? 38.921 22.802 18.338 0.40 103.00 ? 412 PL9 a C38 1 +HETATM 55647 C C38 B PL9 GF 29 . ? 38.971 22.776 18.283 0.60 102.94 ? 412 PL9 a C38 1 +HETATM 55648 C C39 A PL9 GF 29 . ? 39.528 21.804 18.991 0.40 109.43 ? 412 PL9 a C39 1 +HETATM 55649 C C39 B PL9 GF 29 . ? 39.553 21.777 18.956 0.60 109.47 ? 412 PL9 a C39 1 +HETATM 55650 C C40 A PL9 GF 29 . ? 38.819 20.499 19.204 0.40 103.33 ? 412 PL9 a C40 1 +HETATM 55651 C C40 B PL9 GF 29 . ? 38.809 20.497 19.194 0.60 103.30 ? 412 PL9 a C40 1 +HETATM 55652 C C41 A PL9 GF 29 . ? 40.962 21.951 19.443 0.40 120.08 ? 412 PL9 a C41 1 +HETATM 55653 C C41 B PL9 GF 29 . ? 40.982 21.911 19.422 0.60 120.20 ? 412 PL9 a C41 1 +HETATM 55654 C C42 A PL9 GF 29 . ? 41.796 20.810 18.866 0.40 121.08 ? 412 PL9 a C42 1 +HETATM 55655 C C42 B PL9 GF 29 . ? 41.812 20.772 18.840 0.60 121.21 ? 412 PL9 a C42 1 +HETATM 55656 C C43 A PL9 GF 29 . ? 42.137 21.083 17.416 0.40 114.85 ? 412 PL9 a C43 1 +HETATM 55657 C C43 B PL9 GF 29 . ? 42.159 21.068 17.396 0.60 114.87 ? 412 PL9 a C43 1 +HETATM 55658 C C44 A PL9 GF 29 . ? 43.091 20.366 16.794 0.40 114.20 ? 412 PL9 a C44 1 +HETATM 55659 C C44 B PL9 GF 29 . ? 43.116 20.365 16.767 0.60 114.25 ? 412 PL9 a C44 1 +HETATM 55660 C C45 A PL9 GF 29 . ? 43.895 19.363 17.568 0.40 117.43 ? 412 PL9 a C45 1 +HETATM 55661 C C45 B PL9 GF 29 . ? 43.913 19.344 17.523 0.60 117.47 ? 412 PL9 a C45 1 +HETATM 55662 C C46 A PL9 GF 29 . ? 43.487 20.690 15.374 0.40 104.42 ? 412 PL9 a C46 1 +HETATM 55663 C C46 B PL9 GF 29 . ? 43.508 20.711 15.350 0.60 104.30 ? 412 PL9 a C46 1 +HETATM 55664 C C47 A PL9 GF 29 . ? 43.944 22.142 15.362 0.40 119.01 ? 412 PL9 a C47 1 +HETATM 55665 C C47 B PL9 GF 29 . ? 43.933 22.173 15.348 0.60 119.06 ? 412 PL9 a C47 1 +HETATM 55666 C C48 A PL9 GF 29 . ? 44.527 22.516 14.019 0.40 118.75 ? 412 PL9 a C48 1 +HETATM 55667 C C48 B PL9 GF 29 . ? 44.548 22.560 14.024 0.60 118.83 ? 412 PL9 a C48 1 +HETATM 55668 C C49 A PL9 GF 29 . ? 44.411 23.781 13.585 0.40 121.79 ? 412 PL9 a C49 1 +HETATM 55669 C C49 B PL9 GF 29 . ? 44.423 23.824 13.587 0.60 121.87 ? 412 PL9 a C49 1 +HETATM 55670 C C50 A PL9 GF 29 . ? 44.996 24.182 12.264 0.40 123.59 ? 412 PL9 a C50 1 +HETATM 55671 C C50 B PL9 GF 29 . ? 45.039 24.237 12.284 0.60 123.68 ? 412 PL9 a C50 1 +HETATM 55672 C C51 A PL9 GF 29 . ? 43.600 24.780 14.360 0.40 129.72 ? 412 PL9 a C51 1 +HETATM 55673 C C51 B PL9 GF 29 . ? 43.573 24.804 14.342 0.60 129.83 ? 412 PL9 a C51 1 +HETATM 55674 C C52 A PL9 GF 29 . ? 22.006 1.988 21.201 0.40 82.59 ? 412 PL9 a C52 1 +HETATM 55675 C C52 B PL9 GF 29 . ? 21.968 1.987 21.207 0.60 82.46 ? 412 PL9 a C52 1 +HETATM 55676 C C53 A PL9 GF 29 . ? 23.353 3.740 23.303 0.40 100.26 ? 412 PL9 a C53 1 +HETATM 55677 C C53 B PL9 GF 29 . ? 23.326 3.758 23.289 0.60 100.40 ? 412 PL9 a C53 1 +HETATM 55678 O O1 A PL9 GF 29 . ? 20.957 3.472 18.942 0.40 86.14 ? 412 PL9 a O1 1 +HETATM 55679 O O1 B PL9 GF 29 . ? 20.905 3.457 18.941 0.60 86.25 ? 412 PL9 a O1 1 +HETATM 55680 O O2 A PL9 GF 29 . ? 23.446 6.556 22.625 0.40 111.17 ? 412 PL9 a O2 1 +HETATM 55681 O O2 B PL9 GF 29 . ? 23.400 6.549 22.616 0.60 111.50 ? 412 PL9 a O2 1 +HETATM 55682 C C10 . UNL HF 30 . ? -20.428 -19.181 13.398 1.00 119.57 ? 413 UNL a C10 1 +HETATM 55683 C C11 . UNL HF 30 . ? -20.762 -17.788 12.875 1.00 134.51 ? 413 UNL a C11 1 +HETATM 55684 C C12 . UNL HF 30 . ? -21.464 -17.870 11.522 1.00 117.22 ? 413 UNL a C12 1 +HETATM 55685 C C23 . UNL HF 30 . ? -15.199 -20.713 12.652 1.00 134.98 ? 413 UNL a C23 1 +HETATM 55686 C C24 . UNL HF 30 . ? -15.558 -19.551 11.750 1.00 122.12 ? 413 UNL a C24 1 +HETATM 55687 C C25 . UNL HF 30 . ? -16.855 -18.910 12.232 1.00 117.48 ? 413 UNL a C25 1 +HETATM 55688 C C26 . UNL HF 30 . ? -17.073 -17.563 11.554 1.00 105.09 ? 413 UNL a C26 1 +HETATM 55689 C C27 . UNL HF 30 . ? -17.079 -17.689 10.039 1.00 102.87 ? 413 UNL a C27 1 +HETATM 55690 C C28 . UNL HF 30 . ? -17.437 -16.345 9.420 1.00 96.48 ? 413 UNL a C28 1 +HETATM 55691 C C29 . UNL HF 30 . ? -17.383 -16.373 7.894 1.00 117.17 ? 413 UNL a C29 1 +HETATM 55692 C C30 . UNL HF 30 . ? -15.965 -16.587 7.364 1.00 118.18 ? 413 UNL a C30 1 +HETATM 55693 C C31 . UNL HF 30 . ? -15.845 -16.141 5.906 1.00 106.28 ? 413 UNL a C31 1 +HETATM 55694 C C32 . UNL HF 30 . ? -16.826 -16.883 5.002 1.00 116.29 ? 413 UNL a C32 1 +HETATM 55695 C C33 . UNL HF 30 . ? -16.986 -16.178 3.657 1.00 94.02 ? 413 UNL a C33 1 +HETATM 55696 C C34 . UNL HF 30 . ? -17.231 -17.183 2.534 1.00 115.62 ? 413 UNL a C34 1 +HETATM 55697 C C35 . UNL HF 30 . ? -17.778 -16.511 1.279 1.00 129.14 ? 413 UNL a C35 1 +HETATM 55698 C C36 . UNL HF 30 . ? -17.078 -15.183 1.011 1.00 119.56 ? 413 UNL a C36 1 +HETATM 55699 C C37 . UNL HF 30 . ? -17.610 -14.536 -0.263 1.00 130.93 ? 413 UNL a C37 1 +HETATM 55700 C C38 . UNL HF 30 . ? -16.969 -13.185 -0.480 1.00 116.12 ? 413 UNL a C38 1 +HETATM 55701 C C4 . UNL HF 30 . ? -15.082 -22.128 17.469 1.00 142.57 ? 413 UNL a C4 1 +HETATM 55702 C C5 . UNL HF 30 . ? -15.688 -21.279 16.358 1.00 131.91 ? 413 UNL a C5 1 +HETATM 55703 C C6 . UNL HF 30 . ? -14.913 -21.439 15.054 1.00 126.33 ? 413 UNL a C6 1 +HETATM 55704 C C7 . UNL HF 30 . ? -17.906 -20.550 15.951 1.00 131.41 ? 413 UNL a C7 1 +HETATM 55705 C C8 . UNL HF 30 . ? -18.933 -20.533 14.840 1.00 111.89 ? 413 UNL a C8 1 +HETATM 55706 C C9 . UNL HF 30 . ? -19.525 -19.144 14.630 1.00 93.85 ? 413 UNL a C9 1 +HETATM 55707 O O10 . UNL HF 30 . ? -14.540 -21.650 12.222 1.00 161.36 ? 413 UNL a O10 1 +HETATM 55708 O O6 . UNL HF 30 . ? -15.724 -21.777 18.696 1.00 133.24 ? 413 UNL a O6 1 +HETATM 55709 O O7 . UNL HF 30 . ? -17.029 -21.698 16.107 1.00 146.48 ? 413 UNL a O7 1 +HETATM 55710 O O8 . UNL HF 30 . ? -15.647 -20.742 14.037 1.00 132.21 ? 413 UNL a O8 1 +HETATM 55711 O O9 . UNL HF 30 . ? -17.793 -19.620 16.734 1.00 149.71 ? 413 UNL a O9 1 +HETATM 55712 C CHA A PHO IF 24 . ? 25.701 11.573 10.813 0.40 59.85 ? 414 PHO a CHA 1 +HETATM 55713 C CHA B PHO IF 24 . ? 25.739 11.509 10.812 0.60 59.91 ? 414 PHO a CHA 1 +HETATM 55714 C CHB A PHO IF 24 . ? 23.471 15.481 9.007 0.40 58.48 ? 414 PHO a CHB 1 +HETATM 55715 C CHB B PHO IF 24 . ? 23.529 15.439 8.988 0.60 58.52 ? 414 PHO a CHB 1 +HETATM 55716 C CHC A PHO IF 24 . ? 21.037 12.573 5.831 0.40 46.32 ? 414 PHO a CHC 1 +HETATM 55717 C CHC B PHO IF 24 . ? 20.999 12.582 5.853 0.60 46.17 ? 414 PHO a CHC 1 +HETATM 55718 C CHD A PHO IF 24 . ? 22.966 8.527 7.904 0.40 47.70 ? 414 PHO a CHD 1 +HETATM 55719 C CHD B PHO IF 24 . ? 22.991 8.486 7.869 0.60 47.54 ? 414 PHO a CHD 1 +HETATM 55720 N NA A PHO IF 24 . ? 24.569 13.406 9.591 0.40 56.78 ? 414 PHO a NA 1 +HETATM 55721 N NA B PHO IF 24 . ? 24.589 13.351 9.622 0.60 56.71 ? 414 PHO a NA 1 +HETATM 55722 C C1A A PHO IF 24 . ? 25.430 13.004 10.508 0.40 57.77 ? 414 PHO a C1A 1 +HETATM 55723 C C1A B PHO IF 24 . ? 25.456 12.947 10.530 0.60 57.74 ? 414 PHO a C1A 1 +HETATM 55724 C C2A A PHO IF 24 . ? 26.103 14.118 11.245 0.40 61.47 ? 414 PHO a C2A 1 +HETATM 55725 C C2A B PHO IF 24 . ? 26.124 14.059 11.271 0.60 61.52 ? 414 PHO a C2A 1 +HETATM 55726 C C3A A PHO IF 24 . ? 25.202 15.286 10.881 0.40 57.92 ? 414 PHO a C3A 1 +HETATM 55727 C C3A B PHO IF 24 . ? 25.286 15.252 10.833 0.60 57.93 ? 414 PHO a C3A 1 +HETATM 55728 C C4A A PHO IF 24 . ? 24.381 14.646 9.792 0.40 59.88 ? 414 PHO a C4A 1 +HETATM 55729 C C4A B PHO IF 24 . ? 24.434 14.599 9.777 0.60 59.96 ? 414 PHO a C4A 1 +HETATM 55730 C CMA A PHO IF 24 . ? 24.315 15.674 12.055 0.40 56.36 ? 414 PHO a CMA 1 +HETATM 55731 C CMA B PHO IF 24 . ? 24.439 15.804 11.975 0.60 55.56 ? 414 PHO a CMA 1 +HETATM 55732 C CAA A PHO IF 24 . ? 27.482 14.323 10.656 0.40 56.75 ? 414 PHO a CAA 1 +HETATM 55733 C CAA B PHO IF 24 . ? 27.533 14.232 10.743 0.60 56.67 ? 414 PHO a CAA 1 +HETATM 55734 C CBA A PHO IF 24 . ? 28.140 15.404 11.497 0.40 60.83 ? 414 PHO a CBA 1 +HETATM 55735 C CBA B PHO IF 24 . ? 28.126 15.405 11.507 0.60 60.77 ? 414 PHO a CBA 1 +HETATM 55736 C CGA A PHO IF 24 . ? 29.441 15.789 10.859 0.40 60.78 ? 414 PHO a CGA 1 +HETATM 55737 C CGA B PHO IF 24 . ? 29.439 15.788 10.888 0.60 60.75 ? 414 PHO a CGA 1 +HETATM 55738 O O1A A PHO IF 24 . ? 29.853 15.247 9.838 0.40 58.39 ? 414 PHO a O1A 1 +HETATM 55739 O O1A B PHO IF 24 . ? 29.875 15.249 9.876 0.60 58.53 ? 414 PHO a O1A 1 +HETATM 55740 O O2A A PHO IF 24 . ? 30.215 16.840 11.469 0.40 67.60 ? 414 PHO a O2A 1 +HETATM 55741 O O2A B PHO IF 24 . ? 30.206 16.844 11.501 0.60 67.66 ? 414 PHO a O2A 1 +HETATM 55742 N NB A PHO IF 24 . ? 22.412 13.782 7.521 0.40 57.76 ? 414 PHO a NB 1 +HETATM 55743 N NB B PHO IF 24 . ? 22.415 13.776 7.519 0.60 57.90 ? 414 PHO a NB 1 +HETATM 55744 C C1B A PHO IF 24 . ? 22.564 15.058 7.913 0.40 57.94 ? 414 PHO a C1B 1 +HETATM 55745 C C1B B PHO IF 24 . ? 22.592 15.046 7.910 0.60 57.99 ? 414 PHO a C1B 1 +HETATM 55746 C C2B A PHO IF 24 . ? 21.710 16.033 7.181 0.40 54.97 ? 414 PHO a C2B 1 +HETATM 55747 C C2B B PHO IF 24 . ? 21.740 16.031 7.192 0.60 54.99 ? 414 PHO a C2B 1 +HETATM 55748 C C3B A PHO IF 24 . ? 20.987 15.151 6.236 0.40 52.20 ? 414 PHO a C3B 1 +HETATM 55749 C C3B B PHO IF 24 . ? 20.990 15.163 6.254 0.60 52.18 ? 414 PHO a C3B 1 +HETATM 55750 C C4B A PHO IF 24 . ? 21.501 13.783 6.536 0.40 55.74 ? 414 PHO a C4B 1 +HETATM 55751 C C4B B PHO IF 24 . ? 21.488 13.791 6.548 0.60 55.88 ? 414 PHO a C4B 1 +HETATM 55752 C CMB A PHO IF 24 . ? 21.631 17.529 7.382 0.40 55.61 ? 414 PHO a CMB 1 +HETATM 55753 C CMB B PHO IF 24 . ? 21.684 17.526 7.380 0.60 55.58 ? 414 PHO a CMB 1 +HETATM 55754 C CAB A PHO IF 24 . ? 19.965 15.475 5.213 0.40 45.92 ? 414 PHO a CAB 1 +HETATM 55755 C CAB B PHO IF 24 . ? 19.959 15.495 5.239 0.60 45.79 ? 414 PHO a CAB 1 +HETATM 55756 C CBB A PHO IF 24 . ? 19.969 16.653 4.640 0.40 47.09 ? 414 PHO a CBB 1 +HETATM 55757 C CBB B PHO IF 24 . ? 19.969 16.655 4.622 0.60 47.02 ? 414 PHO a CBB 1 +HETATM 55758 N NC A PHO IF 24 . ? 22.177 10.711 7.097 0.40 48.62 ? 414 PHO a NC 1 +HETATM 55759 N NC B PHO IF 24 . ? 22.195 10.717 7.097 0.60 48.61 ? 414 PHO a NC 1 +HETATM 55760 C C1C A PHO IF 24 . ? 21.221 11.174 6.275 0.40 44.52 ? 414 PHO a C1C 1 +HETATM 55761 C C1C B PHO IF 24 . ? 21.242 11.182 6.263 0.60 44.34 ? 414 PHO a C1C 1 +HETATM 55762 C C2C A PHO IF 24 . ? 20.398 10.102 5.662 0.40 49.28 ? 414 PHO a C2C 1 +HETATM 55763 C C2C B PHO IF 24 . ? 20.438 10.108 5.622 0.60 49.34 ? 414 PHO a C2C 1 +HETATM 55764 C C3C A PHO IF 24 . ? 20.984 8.861 6.242 0.40 47.46 ? 414 PHO a C3C 1 +HETATM 55765 C C3C B PHO IF 24 . ? 21.025 8.862 6.189 0.60 47.41 ? 414 PHO a C3C 1 +HETATM 55766 C C4C A PHO IF 24 . ? 22.065 9.385 7.120 0.40 49.07 ? 414 PHO a C4C 1 +HETATM 55767 C C4C B PHO IF 24 . ? 22.094 9.374 7.096 0.60 49.04 ? 414 PHO a C4C 1 +HETATM 55768 C CMC A PHO IF 24 . ? 19.270 10.278 4.684 0.40 47.00 ? 414 PHO a CMC 1 +HETATM 55769 C CMC B PHO IF 24 . ? 19.314 10.269 4.635 0.60 47.11 ? 414 PHO a CMC 1 +HETATM 55770 C CAC A PHO IF 24 . ? 20.611 7.422 6.044 0.40 47.88 ? 414 PHO a CAC 1 +HETATM 55771 C CAC B PHO IF 24 . ? 20.634 7.428 5.937 0.60 48.16 ? 414 PHO a CAC 1 +HETATM 55772 C CBC A PHO IF 24 . ? 21.725 6.653 5.355 0.40 48.00 ? 414 PHO a CBC 1 +HETATM 55773 C CBC B PHO IF 24 . ? 21.753 6.649 5.273 0.60 48.04 ? 414 PHO a CBC 1 +HETATM 55774 N ND A PHO IF 24 . ? 24.055 10.459 9.015 0.40 56.61 ? 414 PHO a ND 1 +HETATM 55775 N ND B PHO IF 24 . ? 24.092 10.389 9.012 0.60 56.63 ? 414 PHO a ND 1 +HETATM 55776 C C1D A PHO IF 24 . ? 23.942 9.128 8.825 0.40 56.63 ? 414 PHO a C1D 1 +HETATM 55777 C C1D B PHO IF 24 . ? 23.974 9.061 8.813 0.60 56.71 ? 414 PHO a C1D 1 +HETATM 55778 C C2D A PHO IF 24 . ? 24.705 8.232 9.733 0.40 55.87 ? 414 PHO a C2D 1 +HETATM 55779 C C2D B PHO IF 24 . ? 24.759 8.164 9.710 0.60 55.97 ? 414 PHO a C2D 1 +HETATM 55780 C C3D A PHO IF 24 . ? 25.418 9.279 10.507 0.40 59.22 ? 414 PHO a C3D 1 +HETATM 55781 C C3D B PHO IF 24 . ? 25.468 9.212 10.492 0.60 59.17 ? 414 PHO a C3D 1 +HETATM 55782 C C4D A PHO IF 24 . ? 24.991 10.517 10.041 0.40 64.95 ? 414 PHO a C4D 1 +HETATM 55783 C C4D B PHO IF 24 . ? 25.032 10.450 10.036 0.60 65.27 ? 414 PHO a C4D 1 +HETATM 55784 C CMD A PHO IF 24 . ? 24.851 6.735 9.906 0.40 48.39 ? 414 PHO a CMD 1 +HETATM 55785 C CMD B PHO IF 24 . ? 24.927 6.669 9.880 0.60 48.21 ? 414 PHO a CMD 1 +HETATM 55786 C CAD A PHO IF 24 . ? 26.414 9.460 11.602 0.40 60.47 ? 414 PHO a CAD 1 +HETATM 55787 C CAD B PHO IF 24 . ? 26.470 9.397 11.582 0.60 60.53 ? 414 PHO a CAD 1 +HETATM 55788 O OBD A PHO IF 24 . ? 26.998 8.519 12.256 0.40 55.56 ? 414 PHO a OBD 1 +HETATM 55789 O OBD B PHO IF 24 . ? 27.076 8.457 12.226 0.60 55.57 ? 414 PHO a OBD 1 +HETATM 55790 C CBD A PHO IF 24 . ? 26.603 10.916 11.802 0.40 59.89 ? 414 PHO a CBD 1 +HETATM 55791 C CBD B PHO IF 24 . ? 26.644 10.856 11.794 0.60 59.86 ? 414 PHO a CBD 1 +HETATM 55792 C CGD A PHO IF 24 . ? 26.163 11.271 13.184 0.40 60.09 ? 414 PHO a CGD 1 +HETATM 55793 C CGD B PHO IF 24 . ? 26.160 11.207 13.167 0.60 60.00 ? 414 PHO a CGD 1 +HETATM 55794 O O1D A PHO IF 24 . ? 26.979 11.427 14.070 0.40 72.15 ? 414 PHO a O1D 1 +HETATM 55795 O O1D B PHO IF 24 . ? 26.934 11.293 14.106 0.60 72.33 ? 414 PHO a O1D 1 +HETATM 55796 O O2D A PHO IF 24 . ? 24.754 11.426 13.481 0.40 60.34 ? 414 PHO a O2D 1 +HETATM 55797 O O2D B PHO IF 24 . ? 24.746 11.439 13.399 0.60 60.35 ? 414 PHO a O2D 1 +HETATM 55798 C CED A PHO IF 24 . ? 24.320 11.887 14.755 0.40 68.40 ? 414 PHO a CED 1 +HETATM 55799 C CED B PHO IF 24 . ? 24.288 11.770 14.705 0.60 68.15 ? 414 PHO a CED 1 +HETATM 55800 C C1 A PHO IF 24 . ? 31.365 17.297 10.780 0.40 64.19 ? 414 PHO a C1 1 +HETATM 55801 C C1 B PHO IF 24 . ? 31.350 17.279 10.793 0.60 64.19 ? 414 PHO a C1 1 +HETATM 55802 C C2 A PHO IF 24 . ? 30.914 18.477 9.970 0.40 63.08 ? 414 PHO a C2 1 +HETATM 55803 C C2 B PHO IF 24 . ? 30.887 18.415 9.929 0.60 62.97 ? 414 PHO a C2 1 +HETATM 55804 C C3 A PHO IF 24 . ? 31.372 18.559 8.728 0.40 60.20 ? 414 PHO a C3 1 +HETATM 55805 C C3 B PHO IF 24 . ? 31.459 18.564 8.740 0.60 60.24 ? 414 PHO a C3 1 +HETATM 55806 C C4 A PHO IF 24 . ? 32.295 17.485 8.251 0.40 63.09 ? 414 PHO a C4 1 +HETATM 55807 C C4 B PHO IF 24 . ? 32.527 17.600 8.340 0.60 62.87 ? 414 PHO a C4 1 +HETATM 55808 C C5 A PHO IF 24 . ? 30.976 19.715 7.839 0.40 61.31 ? 414 PHO a C5 1 +HETATM 55809 C C5 B PHO IF 24 . ? 31.035 19.697 7.841 0.60 61.35 ? 414 PHO a C5 1 +HETATM 55810 C C6 A PHO IF 24 . ? 30.172 19.237 6.642 0.40 53.66 ? 414 PHO a C6 1 +HETATM 55811 C C6 B PHO IF 24 . ? 30.232 19.194 6.655 0.60 53.47 ? 414 PHO a C6 1 +HETATM 55812 C C7 A PHO IF 24 . ? 30.061 20.383 5.632 0.40 58.01 ? 414 PHO a C7 1 +HETATM 55813 C C7 B PHO IF 24 . ? 30.011 20.375 5.709 0.60 58.14 ? 414 PHO a C7 1 +HETATM 55814 C C8 A PHO IF 24 . ? 29.051 20.061 4.542 0.40 57.38 ? 414 PHO a C8 1 +HETATM 55815 C C8 B PHO IF 24 . ? 29.035 20.019 4.598 0.60 57.43 ? 414 PHO a C8 1 +HETATM 55816 C C9 A PHO IF 24 . ? 29.368 18.709 3.892 0.40 50.67 ? 414 PHO a C9 1 +HETATM 55817 C C9 B PHO IF 24 . ? 29.433 18.680 3.981 0.60 50.46 ? 414 PHO a C9 1 +HETATM 55818 C C10 A PHO IF 24 . ? 29.048 21.174 3.503 0.40 53.16 ? 414 PHO a C10 1 +HETATM 55819 C C10 B PHO IF 24 . ? 29.000 21.129 3.551 0.60 53.16 ? 414 PHO a C10 1 +HETATM 55820 C C11 A PHO IF 24 . ? 28.670 22.523 4.098 0.40 54.76 ? 414 PHO a C11 1 +HETATM 55821 C C11 B PHO IF 24 . ? 28.634 22.477 4.169 0.60 54.79 ? 414 PHO a C11 1 +HETATM 55822 C C12 A PHO IF 24 . ? 27.216 22.585 4.539 0.40 56.04 ? 414 PHO a C12 1 +HETATM 55823 C C12 B PHO IF 24 . ? 27.164 22.588 4.550 0.60 56.11 ? 414 PHO a C12 1 +HETATM 55824 C C13 A PHO IF 24 . ? 26.850 23.995 4.996 0.40 57.75 ? 414 PHO a C13 1 +HETATM 55825 C C13 B PHO IF 24 . ? 26.851 24.003 5.033 0.60 57.92 ? 414 PHO a C13 1 +HETATM 55826 C C14 A PHO IF 24 . ? 27.647 24.363 6.247 0.40 55.41 ? 414 PHO a C14 1 +HETATM 55827 C C14 B PHO IF 24 . ? 27.672 24.337 6.279 0.60 55.35 ? 414 PHO a C14 1 +HETATM 55828 C C15 A PHO IF 24 . ? 25.354 24.067 5.283 0.40 52.29 ? 414 PHO a C15 1 +HETATM 55829 C C15 B PHO IF 24 . ? 25.359 24.130 5.325 0.60 52.23 ? 414 PHO a C15 1 +HETATM 55830 C C16 A PHO IF 24 . ? 24.545 24.184 3.995 0.40 46.14 ? 414 PHO a C16 1 +HETATM 55831 C C16 B PHO IF 24 . ? 24.549 24.225 4.037 0.60 46.07 ? 414 PHO a C16 1 +HETATM 55832 C C17 A PHO IF 24 . ? 23.051 24.299 4.315 0.40 55.95 ? 414 PHO a C17 1 +HETATM 55833 C C17 B PHO IF 24 . ? 23.064 24.313 4.380 0.60 56.07 ? 414 PHO a C17 1 +HETATM 55834 C C18 A PHO IF 24 . ? 22.226 24.596 3.063 0.40 53.30 ? 414 PHO a C18 1 +HETATM 55835 C C18 B PHO IF 24 . ? 22.220 24.609 3.146 0.60 53.43 ? 414 PHO a C18 1 +HETATM 55836 C C19 A PHO IF 24 . ? 20.754 24.831 3.383 0.40 49.15 ? 414 PHO a C19 1 +HETATM 55837 C C19 B PHO IF 24 . ? 20.754 24.809 3.510 0.60 49.23 ? 414 PHO a C19 1 +HETATM 55838 C C20 A PHO IF 24 . ? 22.354 23.467 2.055 0.40 50.80 ? 414 PHO a C20 1 +HETATM 55839 C C20 B PHO IF 24 . ? 22.391 23.504 2.109 0.60 50.75 ? 414 PHO a C20 1 +HETATM 55840 C C1 . LMG JF 33 . ? -26.403 8.365 -2.523 1.00 99.28 ? 415 LMG a C1 1 +HETATM 55841 O O1 . LMG JF 33 . ? -26.230 7.977 -1.162 1.00 94.61 ? 415 LMG a O1 1 +HETATM 55842 C C2 . LMG JF 33 . ? -27.019 7.216 -3.308 1.00 96.90 ? 415 LMG a C2 1 +HETATM 55843 O O2 . LMG JF 33 . ? -26.099 6.120 -3.347 1.00 89.90 ? 415 LMG a O2 1 +HETATM 55844 C C3 . LMG JF 33 . ? -27.322 7.622 -4.742 1.00 90.87 ? 415 LMG a C3 1 +HETATM 55845 O O3 . LMG JF 33 . ? -28.036 6.551 -5.370 1.00 82.24 ? 415 LMG a O3 1 +HETATM 55846 C C4 . LMG JF 33 . ? -28.076 8.957 -4.835 1.00 115.55 ? 415 LMG a C4 1 +HETATM 55847 O O4 . LMG JF 33 . ? -29.482 8.799 -4.577 1.00 112.02 ? 415 LMG a O4 1 +HETATM 55848 C C5 . LMG JF 33 . ? -27.477 10.015 -3.895 1.00 116.51 ? 415 LMG a C5 1 +HETATM 55849 O O5 . LMG JF 33 . ? -27.478 12.341 -3.359 1.00 98.60 ? 415 LMG a O5 1 +HETATM 55850 C C6 . LMG JF 33 . ? -28.326 11.280 -3.818 1.00 101.14 ? 415 LMG a C6 1 +HETATM 55851 O O6 . LMG JF 33 . ? -27.229 9.528 -2.569 1.00 95.24 ? 415 LMG a O6 1 +HETATM 55852 C C7 . LMG JF 33 . ? -25.194 8.793 -0.630 1.00 96.52 ? 415 LMG a C7 1 +HETATM 55853 C C8 . LMG JF 33 . ? -25.057 8.599 0.866 1.00 96.41 ? 415 LMG a C8 1 +HETATM 55854 C C9 . LMG JF 33 . ? -26.444 8.642 1.493 1.00 109.19 ? 415 LMG a C9 1 +HETATM 55855 O O7 . LMG JF 33 . ? -24.428 7.345 1.107 1.00 101.92 ? 415 LMG a O7 1 +HETATM 55856 C C10 . LMG JF 33 . ? -23.008 7.515 1.375 1.00 97.03 ? 415 LMG a C10 1 +HETATM 55857 O O9 . LMG JF 33 . ? -22.503 8.611 1.205 1.00 104.16 ? 415 LMG a O9 1 +HETATM 55858 C C11 . LMG JF 33 . ? -22.170 6.359 1.868 1.00 104.55 ? 415 LMG a C11 1 +HETATM 55859 C C12 . LMG JF 33 . ? -20.985 6.897 2.667 1.00 103.31 ? 415 LMG a C12 1 +HETATM 55860 C C13 . LMG JF 33 . ? -19.757 6.965 1.766 1.00 94.17 ? 415 LMG a C13 1 +HETATM 55861 C C14 . LMG JF 33 . ? -18.470 7.164 2.560 1.00 97.78 ? 415 LMG a C14 1 +HETATM 55862 C C15 . LMG JF 33 . ? -17.281 6.977 1.620 1.00 91.88 ? 415 LMG a C15 1 +HETATM 55863 C C16 . LMG JF 33 . ? -16.061 7.777 2.063 1.00 80.54 ? 415 LMG a C16 1 +HETATM 55864 C C17 . LMG JF 33 . ? -15.368 7.133 3.249 1.00 72.11 ? 415 LMG a C17 1 +HETATM 55865 C C18 . LMG JF 33 . ? -13.957 7.687 3.364 1.00 75.92 ? 415 LMG a C18 1 +HETATM 55866 C C19 . LMG JF 33 . ? -13.366 7.258 4.698 1.00 85.83 ? 415 LMG a C19 1 +HETATM 55867 C C20 . LMG JF 33 . ? -14.089 7.945 5.848 1.00 81.78 ? 415 LMG a C20 1 +HETATM 55868 C C21 . LMG JF 33 . ? -13.862 7.151 7.131 1.00 107.25 ? 415 LMG a C21 1 +HETATM 55869 C C22 . LMG JF 33 . ? -14.507 7.845 8.321 1.00 101.63 ? 415 LMG a C22 1 +HETATM 55870 C C23 . LMG JF 33 . ? -13.722 9.106 8.647 1.00 110.09 ? 415 LMG a C23 1 +HETATM 55871 C C24 . LMG JF 33 . ? -12.680 8.830 9.729 1.00 118.32 ? 415 LMG a C24 1 +HETATM 55872 C C25 . LMG JF 33 . ? -11.608 9.905 9.733 1.00 110.52 ? 415 LMG a C25 1 +HETATM 55873 O O8 . LMG JF 33 . ? -26.329 9.252 2.778 1.00 95.76 ? 415 LMG a O8 1 +HETATM 55874 C C28 . LMG JF 33 . ? -27.433 9.126 3.704 1.00 111.38 ? 415 LMG a C28 1 +HETATM 55875 O O10 . LMG JF 33 . ? -28.497 8.678 3.297 1.00 119.40 ? 415 LMG a O10 1 +HETATM 55876 C C29 . LMG JF 33 . ? -27.228 9.540 5.141 1.00 97.19 ? 415 LMG a C29 1 +HETATM 55877 C C30 . LMG JF 33 . ? -25.888 10.261 5.225 1.00 84.52 ? 415 LMG a C30 1 +HETATM 55878 C C31 . LMG JF 33 . ? -25.775 11.069 6.514 1.00 76.11 ? 415 LMG a C31 1 +HETATM 55879 C C32 . LMG JF 33 . ? -24.376 10.913 7.084 1.00 82.55 ? 415 LMG a C32 1 +HETATM 55880 C C33 . LMG JF 33 . ? -23.555 12.195 6.996 1.00 71.83 ? 415 LMG a C33 1 +HETATM 55881 C C34 . LMG JF 33 . ? -22.502 12.204 8.103 1.00 76.97 ? 415 LMG a C34 1 +HETATM 55882 C C35 . LMG JF 33 . ? -21.420 13.242 7.848 1.00 81.74 ? 415 LMG a C35 1 +HETATM 55883 C C36 . LMG JF 33 . ? -20.108 12.804 8.487 1.00 86.37 ? 415 LMG a C36 1 +HETATM 55884 C C37 . LMG JF 33 . ? -19.788 13.663 9.699 1.00 86.54 ? 415 LMG a C37 1 +HETATM 55885 C C38 . LMG JF 33 . ? -18.319 14.078 9.729 1.00 80.60 ? 415 LMG a C38 1 +HETATM 55886 C C39 . LMG JF 33 . ? -17.440 12.896 10.116 1.00 103.90 ? 415 LMG a C39 1 +HETATM 55887 C C40 . LMG JF 33 . ? -15.991 13.312 10.349 1.00 82.56 ? 415 LMG a C40 1 +HETATM 55888 C C41 . LMG JF 33 . ? -15.256 12.211 11.114 1.00 91.57 ? 415 LMG a C41 1 +HETATM 55889 C C42 . LMG JF 33 . ? -13.885 12.708 11.561 1.00 103.89 ? 415 LMG a C42 1 +HETATM 55890 C C43 . LMG JF 33 . ? -13.110 11.628 12.278 1.00 102.41 ? 415 LMG a C43 1 +HETATM 55891 C C1B . LMT KF 31 . ? -24.143 -10.046 25.818 1.00 164.78 ? 416 LMT a C1B 1 +HETATM 55892 C C2B . LMT KF 31 . ? -22.771 -10.139 26.560 1.00 164.10 ? 416 LMT a C2B 1 +HETATM 55893 C C3B . LMT KF 31 . ? -21.697 -10.927 25.762 1.00 146.06 ? 416 LMT a C3B 1 +HETATM 55894 C C4B . LMT KF 31 . ? -22.280 -12.233 25.172 1.00 146.41 ? 416 LMT a C4B 1 +HETATM 55895 C C5B . LMT KF 31 . ? -23.543 -11.860 24.375 1.00 145.83 ? 416 LMT a C5B 1 +HETATM 55896 C C6B . LMT KF 31 . ? -24.126 -13.116 23.735 1.00 144.40 ? 416 LMT a C6B 1 +HETATM 55897 O O1B . LMT KF 31 . ? -24.169 -8.943 24.953 1.00 147.61 ? 416 LMT a O1B 1 +HETATM 55898 O O2B . LMT KF 31 . ? -22.350 -8.842 26.811 1.00 132.18 ? 416 LMT a O2B 1 +HETATM 55899 O O3B . LMT KF 31 . ? -20.561 -11.155 26.514 1.00 119.83 ? 416 LMT a O3B 1 +HETATM 55900 O "O4'" . LMT KF 31 . ? -21.365 -12.838 24.328 1.00 126.73 ? 416 LMT a "O4'" 1 +HETATM 55901 O O5B . LMT KF 31 . ? -24.530 -11.233 25.164 1.00 152.35 ? 416 LMT a O5B 1 +HETATM 55902 O O6B . LMT KF 31 . ? -25.482 -13.178 23.969 1.00 140.35 ? 416 LMT a O6B 1 +HETATM 55903 C "C1'" . LMT KF 31 . ? -26.517 -5.605 24.070 1.00 135.49 ? 416 LMT a "C1'" 1 +HETATM 55904 C "C2'" . LMT KF 31 . ? -26.103 -5.768 25.553 1.00 141.27 ? 416 LMT a "C2'" 1 +HETATM 55905 C "C3'" . LMT KF 31 . ? -24.945 -6.794 25.681 1.00 138.76 ? 416 LMT a "C3'" 1 +HETATM 55906 C "C4'" . LMT KF 31 . ? -25.318 -8.115 24.990 1.00 140.71 ? 416 LMT a "C4'" 1 +HETATM 55907 C "C5'" . LMT KF 31 . ? -25.691 -7.707 23.542 1.00 135.70 ? 416 LMT a "C5'" 1 +HETATM 55908 C "C6'" . LMT KF 31 . ? -25.878 -8.858 22.577 1.00 143.33 ? 416 LMT a "C6'" 1 +HETATM 55909 O "O1'" . LMT KF 31 . ? -27.644 -4.826 23.969 1.00 141.81 ? 416 LMT a "O1'" 1 +HETATM 55910 O "O2'" . LMT KF 31 . ? -25.652 -4.554 26.025 1.00 144.41 ? 416 LMT a "O2'" 1 +HETATM 55911 O "O3'" . LMT KF 31 . ? -24.616 -7.001 26.994 1.00 116.00 ? 416 LMT a "O3'" 1 +HETATM 55912 O "O5'" . LMT KF 31 . ? -26.834 -6.885 23.537 1.00 147.68 ? 416 LMT a "O5'" 1 +HETATM 55913 O "O6'" . LMT KF 31 . ? -26.331 -9.934 23.310 1.00 117.68 ? 416 LMT a "O6'" 1 +HETATM 55914 C C1 . LMT KF 31 . ? -27.699 -3.976 22.836 1.00 129.81 ? 416 LMT a C1 1 +HETATM 55915 C C2 . LMT KF 31 . ? -28.878 -3.068 23.064 1.00 109.81 ? 416 LMT a C2 1 +HETATM 55916 C C3 . LMT KF 31 . ? -28.579 -1.606 23.206 1.00 121.19 ? 416 LMT a C3 1 +HETATM 55917 C C4 . LMT KF 31 . ? -29.234 -0.858 22.066 1.00 109.13 ? 416 LMT a C4 1 +HETATM 55918 C C5 . LMT KF 31 . ? -28.315 0.204 21.553 1.00 121.31 ? 416 LMT a C5 1 +HETATM 55919 C C6 . LMT KF 31 . ? -29.033 1.466 21.195 1.00 119.64 ? 416 LMT a C6 1 +HETATM 55920 C C7 . LMT KF 31 . ? -29.745 1.304 19.881 1.00 138.27 ? 416 LMT a C7 1 +HETATM 55921 C C8 . LMT KF 31 . ? -30.243 2.640 19.432 1.00 141.64 ? 416 LMT a C8 1 +HETATM 55922 C C9 . LMT KF 31 . ? -31.322 2.577 18.395 1.00 143.10 ? 416 LMT a C9 1 +HETATM 55923 C C10 . LMT KF 31 . ? -31.359 3.899 17.673 1.00 127.65 ? 416 LMT a C10 1 +HETATM 55924 C C11 . LMT KF 31 . ? -32.408 3.903 16.606 1.00 126.14 ? 416 LMT a C11 1 +HETATM 55925 C C12 . LMT KF 31 . ? -31.812 4.008 15.241 1.00 121.94 ? 416 LMT a C12 1 +HETATM 55926 C C1 . GOL LF 27 . ? 0.629 -3.380 -26.211 1.00 95.27 ? 417 GOL a C1 1 +HETATM 55927 O O1 . GOL LF 27 . ? 0.743 -3.304 -27.603 1.00 110.32 ? 417 GOL a O1 1 +HETATM 55928 C C2 . GOL LF 27 . ? -0.642 -2.589 -25.726 1.00 98.28 ? 417 GOL a C2 1 +HETATM 55929 O O2 . GOL LF 27 . ? -0.477 -2.117 -24.387 1.00 78.05 ? 417 GOL a O2 1 +HETATM 55930 C C3 . GOL LF 27 . ? -0.815 -1.444 -26.795 1.00 112.06 ? 417 GOL a C3 1 +HETATM 55931 O O3 . GOL LF 27 . ? -2.070 -0.829 -26.635 1.00 98.38 ? 417 GOL a O3 1 +HETATM 55932 C C1 . GOL MF 27 . ? 3.987 1.134 -23.044 1.00 78.60 ? 418 GOL a C1 1 +HETATM 55933 O O1 . GOL MF 27 . ? 5.259 1.717 -23.152 1.00 58.84 ? 418 GOL a O1 1 +HETATM 55934 C C2 . GOL MF 27 . ? 4.067 -0.461 -23.263 1.00 84.96 ? 418 GOL a C2 1 +HETATM 55935 O O2 . GOL MF 27 . ? 4.619 -1.148 -22.170 1.00 69.79 ? 418 GOL a O2 1 +HETATM 55936 C C3 . GOL MF 27 . ? 2.589 -0.892 -23.419 1.00 88.94 ? 418 GOL a C3 1 +HETATM 55937 O O3 . GOL MF 27 . ? 2.582 -2.163 -24.006 1.00 79.91 ? 418 GOL a O3 1 +HETATM 55938 O O1 A LHG NF 32 . ? 32.216 17.585 31.876 0.40 145.96 ? 419 LHG a O1 1 +HETATM 55939 O O1 B LHG NF 32 . ? 32.208 17.534 31.862 0.60 145.96 ? 419 LHG a O1 1 +HETATM 55940 C C1 A LHG NF 32 . ? 31.227 17.992 32.831 0.40 149.61 ? 419 LHG a C1 1 +HETATM 55941 C C1 B LHG NF 32 . ? 31.239 18.019 32.802 0.60 149.65 ? 419 LHG a C1 1 +HETATM 55942 C C2 A LHG NF 32 . ? 29.891 18.185 32.124 0.40 150.81 ? 419 LHG a C2 1 +HETATM 55943 C C2 B LHG NF 32 . ? 29.890 18.175 32.110 0.60 150.84 ? 419 LHG a C2 1 +HETATM 55944 O O2 A LHG NF 32 . ? 30.065 19.115 31.047 0.40 146.88 ? 419 LHG a O2 1 +HETATM 55945 O O2 B LHG NF 32 . ? 30.033 19.071 31.000 0.60 146.89 ? 419 LHG a O2 1 +HETATM 55946 C C3 A LHG NF 32 . ? 28.861 18.732 33.108 0.40 153.99 ? 419 LHG a C3 1 +HETATM 55947 C C3 B LHG NF 32 . ? 28.864 18.741 33.086 0.60 154.03 ? 419 LHG a C3 1 +HETATM 55948 O O3 A LHG NF 32 . ? 27.558 18.616 32.543 0.40 162.56 ? 419 LHG a O3 1 +HETATM 55949 O O3 B LHG NF 32 . ? 27.561 18.621 32.520 0.60 162.77 ? 419 LHG a O3 1 +HETATM 55950 P P A LHG NF 32 . ? 26.510 19.842 32.550 0.40 165.69 ? 419 LHG a P 1 +HETATM 55951 P P B LHG NF 32 . ? 26.502 19.837 32.535 0.60 165.98 ? 419 LHG a P 1 +HETATM 55952 O O4 A LHG NF 32 . ? 25.592 19.711 33.749 0.40 157.56 ? 419 LHG a O4 1 +HETATM 55953 O O4 B LHG NF 32 . ? 25.586 19.688 33.730 0.60 157.59 ? 419 LHG a O4 1 +HETATM 55954 O O5 A LHG NF 32 . ? 27.270 21.125 32.332 0.40 149.07 ? 419 LHG a O5 1 +HETATM 55955 O O5 B LHG NF 32 . ? 27.242 21.134 32.320 0.60 149.05 ? 419 LHG a O5 1 +HETATM 55956 O O6 A LHG NF 32 . ? 25.686 19.466 31.213 0.40 160.80 ? 419 LHG a O6 1 +HETATM 55957 O O6 B LHG NF 32 . ? 25.675 19.467 31.201 0.60 160.97 ? 419 LHG a O6 1 +HETATM 55958 C C4 A LHG NF 32 . ? 25.805 20.244 30.026 0.40 151.79 ? 419 LHG a C4 1 +HETATM 55959 C C4 B LHG NF 32 . ? 25.743 20.280 30.032 0.60 151.81 ? 419 LHG a C4 1 +HETATM 55960 C C5 A LHG NF 32 . ? 25.102 19.519 28.888 0.40 146.54 ? 419 LHG a C5 1 +HETATM 55961 C C5 B LHG NF 32 . ? 25.071 19.540 28.883 0.60 146.45 ? 419 LHG a C5 1 +HETATM 55962 C C6 A LHG NF 32 . ? 23.669 19.204 29.301 0.40 150.01 ? 419 LHG a C6 1 +HETATM 55963 C C6 B LHG NF 32 . ? 23.647 19.181 29.285 0.60 149.99 ? 419 LHG a C6 1 +HETATM 55964 O O7 A LHG NF 32 . ? 25.026 20.385 27.763 0.40 150.40 ? 419 LHG a O7 1 +HETATM 55965 O O7 B LHG NF 32 . ? 24.985 20.402 27.754 0.60 150.45 ? 419 LHG a O7 1 +HETATM 55966 C C7 A LHG NF 32 . ? 26.226 20.442 26.942 0.40 149.68 ? 419 LHG a C7 1 +HETATM 55967 C C7 B LHG NF 32 . ? 26.184 20.455 26.931 0.60 149.79 ? 419 LHG a C7 1 +HETATM 55968 O O9 A LHG NF 32 . ? 27.150 19.668 27.151 0.40 148.80 ? 419 LHG a O9 1 +HETATM 55969 O O9 B LHG NF 32 . ? 27.120 19.703 27.159 0.60 148.97 ? 419 LHG a O9 1 +HETATM 55970 C C8 A LHG NF 32 . ? 26.278 21.476 25.837 0.40 139.97 ? 419 LHG a C8 1 +HETATM 55971 C C8 B LHG NF 32 . ? 26.222 21.456 25.799 0.60 139.89 ? 419 LHG a C8 1 +HETATM 55972 C C9 A LHG NF 32 . ? 27.273 21.100 24.748 0.40 138.90 ? 419 LHG a C9 1 +HETATM 55973 C C9 B LHG NF 32 . ? 27.257 21.074 24.749 0.60 138.95 ? 419 LHG a C9 1 +HETATM 55974 C C10 A LHG NF 32 . ? 26.852 21.708 23.410 0.40 140.69 ? 419 LHG a C10 1 +HETATM 55975 C C10 B LHG NF 32 . ? 26.875 21.673 23.397 0.60 140.80 ? 419 LHG a C10 1 +HETATM 55976 O O8 A LHG NF 32 . ? 23.322 17.892 28.863 0.40 154.47 ? 419 LHG a O8 1 +HETATM 55977 O O8 B LHG NF 32 . ? 23.335 17.868 28.821 0.60 154.67 ? 419 LHG a O8 1 +HETATM 55978 C C23 A LHG NF 32 . ? 22.331 17.694 27.813 0.40 153.03 ? 419 LHG a C23 1 +HETATM 55979 C C23 B LHG NF 32 . ? 22.324 17.672 27.792 0.60 153.19 ? 419 LHG a C23 1 +HETATM 55980 O O10 A LHG NF 32 . ? 21.807 16.598 27.682 0.40 152.29 ? 419 LHG a O10 1 +HETATM 55981 O O10 B LHG NF 32 . ? 21.794 16.577 27.669 0.60 152.43 ? 419 LHG a O10 1 +HETATM 55982 C C24 A LHG NF 32 . ? 21.984 18.821 26.871 0.40 146.88 ? 419 LHG a C24 1 +HETATM 55983 C C24 B LHG NF 32 . ? 21.964 18.805 26.861 0.60 146.89 ? 419 LHG a C24 1 +HETATM 55984 C C11 A LHG NF 32 . ? 27.990 21.641 22.397 0.40 136.73 ? 419 LHG a C11 1 +HETATM 55985 C C11 B LHG NF 32 . ? 28.043 21.604 22.420 0.60 136.84 ? 419 LHG a C11 1 +HETATM 55986 C C12 A LHG NF 32 . ? 29.155 22.517 22.846 0.40 134.60 ? 419 LHG a C12 1 +HETATM 55987 C C12 B LHG NF 32 . ? 29.174 22.519 22.875 0.60 134.66 ? 419 LHG a C12 1 +HETATM 55988 C C13 A LHG NF 32 . ? 30.504 21.892 22.508 0.40 127.98 ? 419 LHG a C13 1 +HETATM 55989 C C13 B LHG NF 32 . ? 30.544 21.939 22.538 0.60 128.00 ? 419 LHG a C13 1 +HETATM 55990 C C14 A LHG NF 32 . ? 30.686 21.697 21.007 0.40 125.43 ? 419 LHG a C14 1 +HETATM 55991 C C14 B LHG NF 32 . ? 30.708 21.713 21.040 0.60 125.48 ? 419 LHG a C14 1 +HETATM 55992 C C15 A LHG NF 32 . ? 32.129 21.318 20.697 0.40 115.97 ? 419 LHG a C15 1 +HETATM 55993 C C15 B LHG NF 32 . ? 32.142 21.313 20.719 0.60 115.94 ? 419 LHG a C15 1 +HETATM 55994 C C16 A LHG NF 32 . ? 32.296 20.907 19.241 0.40 114.12 ? 419 LHG a C16 1 +HETATM 55995 C C16 B LHG NF 32 . ? 32.277 20.895 19.263 0.60 114.09 ? 419 LHG a C16 1 +HETATM 55996 C C17 A LHG NF 32 . ? 31.396 19.723 18.898 0.40 116.91 ? 419 LHG a C17 1 +HETATM 55997 C C17 B LHG NF 32 . ? 31.380 19.699 18.961 0.60 116.94 ? 419 LHG a C17 1 +HETATM 55998 C C18 A LHG NF 32 . ? 31.956 18.415 19.445 0.40 120.80 ? 419 LHG a C18 1 +HETATM 55999 C C18 B LHG NF 32 . ? 31.945 18.414 19.556 0.60 121.07 ? 419 LHG a C18 1 +HETATM 56000 C C19 A LHG NF 32 . ? 31.021 17.255 19.133 0.40 110.64 ? 419 LHG a C19 1 +HETATM 56001 C C19 B LHG NF 32 . ? 31.075 17.218 19.191 0.60 110.77 ? 419 LHG a C19 1 +HETATM 56002 C C20 A LHG NF 32 . ? 30.918 17.023 17.630 0.40 105.46 ? 419 LHG a C20 1 +HETATM 56003 C C20 B LHG NF 32 . ? 30.947 17.064 17.679 0.60 105.51 ? 419 LHG a C20 1 +HETATM 56004 C C21 A LHG NF 32 . ? 32.275 16.646 17.050 0.40 103.21 ? 419 LHG a C21 1 +HETATM 56005 C C21 B LHG NF 32 . ? 32.273 16.661 17.043 0.60 103.28 ? 419 LHG a C21 1 +HETATM 56006 C C22 A LHG NF 32 . ? 32.188 16.550 15.542 0.40 94.33 ? 419 LHG a C22 1 +HETATM 56007 C C22 B LHG NF 32 . ? 32.145 16.620 15.535 0.60 94.26 ? 419 LHG a C22 1 +HETATM 56008 C C25 A LHG NF 32 . ? 22.943 18.791 25.686 0.40 137.67 ? 419 LHG a C25 1 +HETATM 56009 C C25 B LHG NF 32 . ? 22.929 18.801 25.681 0.60 137.59 ? 419 LHG a C25 1 +HETATM 56010 C C26 A LHG NF 32 . ? 22.293 19.415 24.460 0.40 140.44 ? 419 LHG a C26 1 +HETATM 56011 C C26 B LHG NF 32 . ? 22.267 19.404 24.452 0.60 140.46 ? 419 LHG a C26 1 +HETATM 56012 C C27 A LHG NF 32 . ? 21.416 18.389 23.756 0.40 139.10 ? 419 LHG a C27 1 +HETATM 56013 C C27 B LHG NF 32 . ? 21.393 18.365 23.760 0.60 139.10 ? 419 LHG a C27 1 +HETATM 56014 C C28 A LHG NF 32 . ? 22.276 17.411 22.964 0.40 136.32 ? 419 LHG a C28 1 +HETATM 56015 C C28 B LHG NF 32 . ? 22.250 17.386 22.965 0.60 136.39 ? 419 LHG a C28 1 +HETATM 56016 C C29 A LHG NF 32 . ? 21.951 17.452 21.471 0.40 137.06 ? 419 LHG a C29 1 +HETATM 56017 C C29 B LHG NF 32 . ? 21.936 17.441 21.471 0.60 137.15 ? 419 LHG a C29 1 +HETATM 56018 C C30 A LHG NF 32 . ? 22.107 18.849 20.879 0.40 126.97 ? 419 LHG a C30 1 +HETATM 56019 C C30 B LHG NF 32 . ? 22.078 18.850 20.902 0.60 126.91 ? 419 LHG a C30 1 +HETATM 56020 C C31 A LHG NF 32 . ? 23.537 19.358 21.018 0.40 126.47 ? 419 LHG a C31 1 +HETATM 56021 C C31 B LHG NF 32 . ? 23.506 19.367 21.036 0.60 126.43 ? 419 LHG a C31 1 +HETATM 56022 MG MG . CLA OF 23 . ? 61.323 17.082 -14.952 1.00 78.38 ? 601 CLA b MG 1 +HETATM 56023 C CHA . CLA OF 23 . ? 63.941 18.619 -16.609 1.00 80.47 ? 601 CLA b CHA 1 +HETATM 56024 C CHB . CLA OF 23 . ? 63.182 14.258 -14.907 1.00 76.60 ? 601 CLA b CHB 1 +HETATM 56025 C CHC . CLA OF 23 . ? 59.064 15.829 -12.757 1.00 59.38 ? 601 CLA b CHC 1 +HETATM 56026 C CHD . CLA OF 23 . ? 59.641 20.378 -14.760 1.00 77.33 ? 601 CLA b CHD 1 +HETATM 56027 N NA . CLA OF 23 . ? 63.225 16.539 -15.592 1.00 81.14 ? 601 CLA b NA 1 +HETATM 56028 C C1A . CLA OF 23 . ? 64.078 17.173 -16.296 1.00 68.84 ? 601 CLA b C1A 1 +HETATM 56029 C C2A . CLA OF 23 . ? 65.278 16.414 -16.794 1.00 90.11 ? 601 CLA b C2A 1 +HETATM 56030 C C3A . CLA OF 23 . ? 65.001 15.027 -16.267 1.00 86.75 ? 601 CLA b C3A 1 +HETATM 56031 C C4A . CLA OF 23 . ? 63.712 15.296 -15.548 1.00 84.93 ? 601 CLA b C4A 1 +HETATM 56032 C CMA . CLA OF 23 . ? 64.757 14.098 -17.451 1.00 83.92 ? 601 CLA b CMA 1 +HETATM 56033 C CAA . CLA OF 23 . ? 66.563 16.903 -16.118 1.00 106.32 ? 601 CLA b CAA 1 +HETATM 56034 C CBA . CLA OF 23 . ? 66.498 16.946 -14.588 1.00 101.68 ? 601 CLA b CBA 1 +HETATM 56035 C CGA . CLA OF 23 . ? 67.659 17.767 -14.061 1.00 128.93 ? 601 CLA b CGA 1 +HETATM 56036 O O1A . CLA OF 23 . ? 67.871 17.839 -12.856 1.00 113.28 ? 601 CLA b O1A 1 +HETATM 56037 O O2A . CLA OF 23 . ? 68.525 18.470 -15.015 1.00 162.24 ? 601 CLA b O2A 1 +HETATM 56038 N NB . CLA OF 23 . ? 61.155 15.313 -13.969 1.00 65.54 ? 601 CLA b NB 1 +HETATM 56039 C C1B . CLA OF 23 . ? 61.951 14.253 -14.111 1.00 77.11 ? 601 CLA b C1B 1 +HETATM 56040 C C2B . CLA OF 23 . ? 61.537 13.047 -13.366 1.00 74.79 ? 601 CLA b C2B 1 +HETATM 56041 C C3B . CLA OF 23 . ? 60.288 13.515 -12.711 1.00 63.38 ? 601 CLA b C3B 1 +HETATM 56042 C C4B . CLA OF 23 . ? 60.157 14.933 -13.165 1.00 61.67 ? 601 CLA b C4B 1 +HETATM 56043 C CMB . CLA OF 23 . ? 62.213 11.703 -13.333 1.00 77.24 ? 601 CLA b CMB 1 +HETATM 56044 C CAB . CLA OF 23 . ? 59.376 12.733 -11.828 1.00 70.98 ? 601 CLA b CAB 1 +HETATM 56045 C CBB . CLA OF 23 . ? 58.061 12.855 -11.916 1.00 71.51 ? 601 CLA b CBB 1 +HETATM 56046 N NC . CLA OF 23 . ? 59.736 17.947 -13.949 1.00 73.92 ? 601 CLA b NC 1 +HETATM 56047 C C1C . CLA OF 23 . ? 58.900 17.234 -13.165 1.00 64.81 ? 601 CLA b C1C 1 +HETATM 56048 C C2C . CLA OF 23 . ? 57.705 17.986 -12.691 1.00 69.64 ? 601 CLA b C2C 1 +HETATM 56049 C C3C . CLA OF 23 . ? 57.880 19.322 -13.294 1.00 71.30 ? 601 CLA b C3C 1 +HETATM 56050 C C4C . CLA OF 23 . ? 59.162 19.178 -14.033 1.00 62.92 ? 601 CLA b C4C 1 +HETATM 56051 C CMC . CLA OF 23 . ? 56.586 17.510 -11.809 1.00 68.09 ? 601 CLA b CMC 1 +HETATM 56052 C CAC . CLA OF 23 . ? 56.997 20.545 -13.169 1.00 74.15 ? 601 CLA b CAC 1 +HETATM 56053 C CBC . CLA OF 23 . ? 56.219 20.677 -14.460 1.00 63.68 ? 601 CLA b CBC 1 +HETATM 56054 N ND . CLA OF 23 . ? 61.626 19.024 -15.472 1.00 68.93 ? 601 CLA b ND 1 +HETATM 56055 C C1D . CLA OF 23 . ? 60.945 20.292 -15.426 1.00 81.59 ? 601 CLA b C1D 1 +HETATM 56056 C C2D . CLA OF 23 . ? 61.652 21.424 -16.087 1.00 78.81 ? 601 CLA b C2D 1 +HETATM 56057 C C3D . CLA OF 23 . ? 62.883 20.715 -16.565 1.00 99.30 ? 601 CLA b C3D 1 +HETATM 56058 C C4D . CLA OF 23 . ? 62.778 19.390 -16.150 1.00 89.76 ? 601 CLA b C4D 1 +HETATM 56059 C CMD . CLA OF 23 . ? 61.375 22.887 -16.308 1.00 69.44 ? 601 CLA b CMD 1 +HETATM 56060 C CAD . CLA OF 23 . ? 64.184 20.858 -17.289 1.00 89.48 ? 601 CLA b CAD 1 +HETATM 56061 O OBD . CLA OF 23 . ? 64.648 21.940 -17.801 1.00 94.56 ? 601 CLA b OBD 1 +HETATM 56062 C CBD . CLA OF 23 . ? 64.869 19.545 -17.314 1.00 96.25 ? 601 CLA b CBD 1 +HETATM 56063 C CGD . CLA OF 23 . ? 65.163 19.082 -18.714 1.00 94.39 ? 601 CLA b CGD 1 +HETATM 56064 O O1D . CLA OF 23 . ? 66.253 18.613 -18.989 1.00 114.53 ? 601 CLA b O1D 1 +HETATM 56065 O O2D . CLA OF 23 . ? 64.190 19.144 -19.780 1.00 85.02 ? 601 CLA b O2D 1 +HETATM 56066 C CED . CLA OF 23 . ? 64.464 18.368 -20.944 1.00 89.10 ? 601 CLA b CED 1 +HETATM 56067 C C1 . CLA OF 23 . ? 69.199 19.702 -14.711 1.00 166.57 ? 601 CLA b C1 1 +HETATM 56068 C C2 . CLA OF 23 . ? 68.176 20.764 -14.367 1.00 147.81 ? 601 CLA b C2 1 +HETATM 56069 C C3 . CLA OF 23 . ? 67.914 21.886 -15.065 1.00 138.69 ? 601 CLA b C3 1 +HETATM 56070 C C4 . CLA OF 23 . ? 68.659 22.235 -16.326 1.00 121.66 ? 601 CLA b C4 1 +HETATM 56071 C C5 . CLA OF 23 . ? 66.829 22.802 -14.537 1.00 117.43 ? 601 CLA b C5 1 +HETATM 56072 C C6 . CLA OF 23 . ? 65.486 22.083 -14.361 1.00 106.34 ? 601 CLA b C6 1 +HETATM 56073 C C7 . CLA OF 23 . ? 65.296 21.432 -12.988 1.00 101.05 ? 601 CLA b C7 1 +HETATM 56074 C C8 . CLA OF 23 . ? 63.944 20.725 -12.862 1.00 94.98 ? 601 CLA b C8 1 +HETATM 56075 C C9 . CLA OF 23 . ? 63.091 21.383 -11.788 1.00 118.99 ? 601 CLA b C9 1 +HETATM 56076 C C10 . CLA OF 23 . ? 64.108 19.232 -12.572 1.00 116.04 ? 601 CLA b C10 1 +HETATM 56077 C C11 . CLA OF 23 . ? 63.415 18.770 -11.286 1.00 99.11 ? 601 CLA b C11 1 +HETATM 56078 C C12 . CLA OF 23 . ? 62.733 17.409 -11.448 1.00 79.25 ? 601 CLA b C12 1 +HETATM 56079 C C13 . CLA OF 23 . ? 63.303 16.337 -10.518 1.00 102.01 ? 601 CLA b C13 1 +HETATM 56080 C C14 . CLA OF 23 . ? 64.299 15.462 -11.277 1.00 108.51 ? 601 CLA b C14 1 +HETATM 56081 C C15 . CLA OF 23 . ? 62.195 15.458 -9.929 1.00 81.94 ? 601 CLA b C15 1 +HETATM 56082 C C16 . CLA OF 23 . ? 62.682 14.540 -8.801 1.00 83.32 ? 601 CLA b C16 1 +HETATM 56083 C C17 . CLA OF 23 . ? 62.015 13.163 -8.865 1.00 96.50 ? 601 CLA b C17 1 +HETATM 56084 C C18 . CLA OF 23 . ? 62.122 12.360 -7.564 1.00 109.69 ? 601 CLA b C18 1 +HETATM 56085 C C19 . CLA OF 23 . ? 63.567 12.163 -7.113 1.00 117.64 ? 601 CLA b C19 1 +HETATM 56086 C C20 . CLA OF 23 . ? 61.431 11.011 -7.715 1.00 90.56 ? 601 CLA b C20 1 +HETATM 56087 MG MG . CLA PF 23 . ? 53.807 10.089 -14.643 1.00 58.61 ? 602 CLA b MG 1 +HETATM 56088 C CHA . CLA PF 23 . ? 50.369 10.575 -14.475 1.00 52.62 ? 602 CLA b CHA 1 +HETATM 56089 C CHB . CLA PF 23 . ? 53.785 12.103 -17.400 1.00 58.47 ? 602 CLA b CHB 1 +HETATM 56090 C CHC . CLA PF 23 . ? 57.180 10.283 -14.348 1.00 59.90 ? 602 CLA b CHC 1 +HETATM 56091 C CHD . CLA PF 23 . ? 53.619 8.459 -11.339 1.00 58.88 ? 602 CLA b CHD 1 +HETATM 56092 N NA . CLA PF 23 . ? 52.387 11.187 -15.703 1.00 63.44 ? 602 CLA b NA 1 +HETATM 56093 C C1A . CLA PF 23 . ? 51.105 11.163 -15.631 1.00 54.21 ? 602 CLA b C1A 1 +HETATM 56094 C C2A . CLA PF 23 . ? 50.329 11.840 -16.714 1.00 51.59 ? 602 CLA b C2A 1 +HETATM 56095 C C3A . CLA PF 23 . ? 51.429 12.223 -17.661 1.00 61.80 ? 602 CLA b C3A 1 +HETATM 56096 C C4A . CLA PF 23 . ? 52.612 11.812 -16.860 1.00 55.08 ? 602 CLA b C4A 1 +HETATM 56097 C CMA . CLA PF 23 . ? 51.370 11.194 -18.791 1.00 57.19 ? 602 CLA b CMA 1 +HETATM 56098 C CAA . CLA PF 23 . ? 49.843 13.193 -16.169 1.00 52.69 ? 602 CLA b CAA 1 +HETATM 56099 C CBA . CLA PF 23 . ? 48.884 13.927 -17.104 1.00 56.08 ? 602 CLA b CBA 1 +HETATM 56100 C CGA . CLA PF 23 . ? 47.487 13.460 -16.766 1.00 65.33 ? 602 CLA b CGA 1 +HETATM 56101 O O1A . CLA PF 23 . ? 46.675 13.113 -17.608 1.00 59.64 ? 602 CLA b O1A 1 +HETATM 56102 O O2A . CLA PF 23 . ? 47.114 13.374 -15.377 1.00 62.22 ? 602 CLA b O2A 1 +HETATM 56103 N NB . CLA PF 23 . ? 55.260 11.053 -15.719 1.00 63.06 ? 602 CLA b NB 1 +HETATM 56104 C C1B . CLA PF 23 . ? 55.091 11.800 -16.812 1.00 65.11 ? 602 CLA b C1B 1 +HETATM 56105 C C2B . CLA PF 23 . ? 56.327 12.384 -17.382 1.00 63.18 ? 602 CLA b C2B 1 +HETATM 56106 C C3B . CLA PF 23 . ? 57.353 11.849 -16.478 1.00 64.50 ? 602 CLA b C3B 1 +HETATM 56107 C C4B . CLA PF 23 . ? 56.582 11.039 -15.475 1.00 61.76 ? 602 CLA b C4B 1 +HETATM 56108 C CMB . CLA PF 23 . ? 56.523 13.279 -18.565 1.00 57.62 ? 602 CLA b CMB 1 +HETATM 56109 C CAB . CLA PF 23 . ? 58.798 12.139 -16.613 1.00 73.06 ? 602 CLA b CAB 1 +HETATM 56110 C CBB . CLA PF 23 . ? 59.608 12.074 -15.590 1.00 81.73 ? 602 CLA b CBB 1 +HETATM 56111 N NC . CLA PF 23 . ? 55.108 9.528 -13.127 1.00 57.89 ? 602 CLA b NC 1 +HETATM 56112 C C1C . CLA PF 23 . ? 56.452 9.612 -13.244 1.00 64.16 ? 602 CLA b C1C 1 +HETATM 56113 C C2C . CLA PF 23 . ? 57.210 8.946 -12.136 1.00 57.36 ? 602 CLA b C2C 1 +HETATM 56114 C C3C . CLA PF 23 . ? 56.150 8.404 -11.263 1.00 57.32 ? 602 CLA b C3C 1 +HETATM 56115 C C4C . CLA PF 23 . ? 54.909 8.837 -11.966 1.00 53.81 ? 602 CLA b C4C 1 +HETATM 56116 C CMC . CLA PF 23 . ? 58.694 8.825 -11.925 1.00 63.20 ? 602 CLA b CMC 1 +HETATM 56117 C CAC . CLA PF 23 . ? 56.291 7.650 -9.950 1.00 67.34 ? 602 CLA b CAC 1 +HETATM 56118 C CBC . CLA PF 23 . ? 56.275 6.148 -10.167 1.00 57.93 ? 602 CLA b CBC 1 +HETATM 56119 N ND . CLA PF 23 . ? 52.431 9.631 -13.205 1.00 53.76 ? 602 CLA b ND 1 +HETATM 56120 C C1D . CLA PF 23 . ? 52.370 8.951 -11.943 1.00 50.06 ? 602 CLA b C1D 1 +HETATM 56121 C C2D . CLA PF 23 . ? 51.006 8.787 -11.373 1.00 58.54 ? 602 CLA b C2D 1 +HETATM 56122 C C3D . CLA PF 23 . ? 50.206 9.474 -12.424 1.00 50.42 ? 602 CLA b C3D 1 +HETATM 56123 C C4D . CLA PF 23 . ? 51.094 9.928 -13.381 1.00 47.12 ? 602 CLA b C4D 1 +HETATM 56124 C CMD . CLA PF 23 . ? 50.418 8.160 -10.130 1.00 65.69 ? 602 CLA b CMD 1 +HETATM 56125 C CAD . CLA PF 23 . ? 48.837 9.878 -12.864 1.00 54.14 ? 602 CLA b CAD 1 +HETATM 56126 O OBD . CLA PF 23 . ? 47.752 9.641 -12.222 1.00 63.67 ? 602 CLA b OBD 1 +HETATM 56127 C CBD . CLA PF 23 . ? 48.911 10.576 -14.165 1.00 57.22 ? 602 CLA b CBD 1 +HETATM 56128 C CGD . CLA PF 23 . ? 48.182 9.749 -15.199 1.00 62.78 ? 602 CLA b CGD 1 +HETATM 56129 O O1D . CLA PF 23 . ? 48.535 8.622 -15.503 1.00 61.04 ? 602 CLA b O1D 1 +HETATM 56130 O O2D . CLA PF 23 . ? 47.025 10.281 -15.887 1.00 61.52 ? 602 CLA b O2D 1 +HETATM 56131 C CED . CLA PF 23 . ? 46.320 9.447 -16.801 1.00 64.35 ? 602 CLA b CED 1 +HETATM 56132 C C1 . CLA PF 23 . ? 45.774 13.117 -15.001 1.00 60.00 ? 602 CLA b C1 1 +HETATM 56133 C C2 . CLA PF 23 . ? 45.837 12.634 -13.580 1.00 53.86 ? 602 CLA b C2 1 +HETATM 56134 C C3 . CLA PF 23 . ? 45.785 13.520 -12.566 1.00 62.77 ? 602 CLA b C3 1 +HETATM 56135 C C4 . CLA PF 23 . ? 45.653 14.993 -12.809 1.00 48.83 ? 602 CLA b C4 1 +HETATM 56136 C C5 . CLA PF 23 . ? 45.842 13.015 -11.152 1.00 63.62 ? 602 CLA b C5 1 +HETATM 56137 C C6 . CLA PF 23 . ? 44.522 13.268 -10.449 1.00 57.45 ? 602 CLA b C6 1 +HETATM 56138 C C7 . CLA PF 23 . ? 44.638 12.765 -9.019 1.00 68.94 ? 602 CLA b C7 1 +HETATM 56139 C C8 . CLA PF 23 . ? 43.280 12.734 -8.336 1.00 68.60 ? 602 CLA b C8 1 +HETATM 56140 C C9 . CLA PF 23 . ? 42.532 14.036 -8.554 1.00 58.84 ? 602 CLA b C9 1 +HETATM 56141 C C10 . CLA PF 23 . ? 43.452 12.506 -6.845 1.00 89.99 ? 602 CLA b C10 1 +HETATM 56142 C C11 . CLA PF 23 . ? 42.084 12.248 -6.223 1.00 79.60 ? 602 CLA b C11 1 +HETATM 56143 C C12 . CLA PF 23 . ? 41.532 10.900 -6.688 1.00 80.32 ? 602 CLA b C12 1 +HETATM 56144 C C13 . CLA PF 23 . ? 40.730 10.302 -5.540 1.00 67.47 ? 602 CLA b C13 1 +HETATM 56145 C C14 . CLA PF 23 . ? 40.382 8.842 -5.797 1.00 92.31 ? 602 CLA b C14 1 +HETATM 56146 C C15 . CLA PF 23 . ? 39.482 11.143 -5.333 1.00 79.72 ? 602 CLA b C15 1 +HETATM 56147 C C16 . CLA PF 23 . ? 38.557 11.244 -6.548 1.00 60.62 ? 602 CLA b C16 1 +HETATM 56148 C C17 . CLA PF 23 . ? 37.249 11.874 -6.076 1.00 72.06 ? 602 CLA b C17 1 +HETATM 56149 C C18 . CLA PF 23 . ? 36.388 12.420 -7.205 1.00 65.72 ? 602 CLA b C18 1 +HETATM 56150 C C19 . CLA PF 23 . ? 36.182 13.921 -7.046 1.00 78.30 ? 602 CLA b C19 1 +HETATM 56151 C C20 . CLA PF 23 . ? 35.040 11.722 -7.202 1.00 82.65 ? 602 CLA b C20 1 +HETATM 56152 MG MG . CLA QF 23 . ? 50.475 2.660 -18.082 1.00 56.17 ? 603 CLA b MG 1 +HETATM 56153 C CHA . CLA QF 23 . ? 48.241 3.099 -20.682 1.00 46.80 ? 603 CLA b CHA 1 +HETATM 56154 C CHB . CLA QF 23 . ? 49.300 5.620 -16.757 1.00 47.11 ? 603 CLA b CHB 1 +HETATM 56155 C CHC . CLA QF 23 . ? 51.982 1.806 -15.194 1.00 60.17 ? 603 CLA b CHC 1 +HETATM 56156 C CHD . CLA QF 23 . ? 51.125 -0.742 -19.397 1.00 54.47 ? 603 CLA b CHD 1 +HETATM 56157 N NA . CLA QF 23 . ? 49.017 4.067 -18.571 1.00 47.30 ? 603 CLA b NA 1 +HETATM 56158 C C1A . CLA QF 23 . ? 48.362 4.183 -19.659 1.00 53.21 ? 603 CLA b C1A 1 +HETATM 56159 C C2A . CLA QF 23 . ? 47.557 5.427 -19.861 1.00 56.02 ? 603 CLA b C2A 1 +HETATM 56160 C C3A . CLA QF 23 . ? 47.962 6.260 -18.675 1.00 48.90 ? 603 CLA b C3A 1 +HETATM 56161 C C4A . CLA QF 23 . ? 48.822 5.250 -17.955 1.00 53.57 ? 603 CLA b C4A 1 +HETATM 56162 C CMA . CLA QF 23 . ? 48.774 7.373 -19.341 1.00 52.41 ? 603 CLA b CMA 1 +HETATM 56163 C CAA . CLA QF 23 . ? 46.077 5.117 -19.563 1.00 43.92 ? 603 CLA b CAA 1 +HETATM 56164 C CBA . CLA QF 23 . ? 45.783 4.330 -18.260 1.00 50.58 ? 603 CLA b CBA 1 +HETATM 56165 C CGA . CLA QF 23 . ? 45.601 5.166 -16.998 1.00 51.24 ? 603 CLA b CGA 1 +HETATM 56166 O O1A . CLA QF 23 . ? 45.229 6.331 -17.029 1.00 62.00 ? 603 CLA b O1A 1 +HETATM 56167 O O2A . CLA QF 23 . ? 45.894 4.599 -15.711 1.00 54.78 ? 603 CLA b O2A 1 +HETATM 56168 N NB . CLA QF 23 . ? 50.646 3.603 -16.282 1.00 52.16 ? 603 CLA b NB 1 +HETATM 56169 C C1B . CLA QF 23 . ? 50.127 4.773 -15.887 1.00 48.35 ? 603 CLA b C1B 1 +HETATM 56170 C C2B . CLA QF 23 . ? 50.347 5.115 -14.454 1.00 54.61 ? 603 CLA b C2B 1 +HETATM 56171 C C3B . CLA QF 23 . ? 51.151 3.952 -13.987 1.00 58.10 ? 603 CLA b C3B 1 +HETATM 56172 C C4B . CLA QF 23 . ? 51.268 3.098 -15.208 1.00 62.59 ? 603 CLA b C4B 1 +HETATM 56173 C CMB . CLA QF 23 . ? 49.891 6.334 -13.699 1.00 53.35 ? 603 CLA b CMB 1 +HETATM 56174 C CAB . CLA QF 23 . ? 51.749 3.641 -12.658 1.00 65.41 ? 603 CLA b CAB 1 +HETATM 56175 C CBB . CLA QF 23 . ? 52.393 4.542 -11.935 1.00 62.98 ? 603 CLA b CBB 1 +HETATM 56176 N NC . CLA QF 23 . ? 51.377 0.918 -17.467 1.00 56.77 ? 603 CLA b NC 1 +HETATM 56177 C C1C . CLA QF 23 . ? 51.890 0.761 -16.232 1.00 61.38 ? 603 CLA b C1C 1 +HETATM 56178 C C2C . CLA QF 23 . ? 52.408 -0.608 -15.945 1.00 55.10 ? 603 CLA b C2C 1 +HETATM 56179 C C3C . CLA QF 23 . ? 52.154 -1.341 -17.203 1.00 54.16 ? 603 CLA b C3C 1 +HETATM 56180 C C4C . CLA QF 23 . ? 51.520 -0.306 -18.047 1.00 60.32 ? 603 CLA b C4C 1 +HETATM 56181 C CMC . CLA QF 23 . ? 53.042 -1.121 -14.675 1.00 63.96 ? 603 CLA b CMC 1 +HETATM 56182 C CAC . CLA QF 23 . ? 52.437 -2.784 -17.574 1.00 60.12 ? 603 CLA b CAC 1 +HETATM 56183 C CBC . CLA QF 23 . ? 51.201 -3.570 -17.189 1.00 56.33 ? 603 CLA b CBC 1 +HETATM 56184 N ND . CLA QF 23 . ? 49.892 1.416 -19.581 1.00 51.93 ? 603 CLA b ND 1 +HETATM 56185 C C1D . CLA QF 23 . ? 50.172 0.113 -20.099 1.00 48.50 ? 603 CLA b C1D 1 +HETATM 56186 C C2D . CLA QF 23 . ? 49.461 -0.266 -21.341 1.00 56.81 ? 603 CLA b C2D 1 +HETATM 56187 C C3D . CLA QF 23 . ? 48.663 0.963 -21.568 1.00 47.84 ? 603 CLA b C3D 1 +HETATM 56188 C C4D . CLA QF 23 . ? 48.967 1.835 -20.523 1.00 50.54 ? 603 CLA b C4D 1 +HETATM 56189 C CMD . CLA QF 23 . ? 49.435 -1.482 -22.218 1.00 55.95 ? 603 CLA b CMD 1 +HETATM 56190 C CAD . CLA QF 23 . ? 47.657 1.635 -22.430 1.00 51.16 ? 603 CLA b CAD 1 +HETATM 56191 O OBD . CLA QF 23 . ? 47.135 1.157 -23.498 1.00 55.56 ? 603 CLA b OBD 1 +HETATM 56192 C CBD . CLA QF 23 . ? 47.375 2.997 -21.899 1.00 55.66 ? 603 CLA b CBD 1 +HETATM 56193 C CGD . CLA QF 23 . ? 47.713 3.955 -23.026 1.00 57.29 ? 603 CLA b CGD 1 +HETATM 56194 O O1D . CLA QF 23 . ? 46.891 4.741 -23.521 1.00 59.58 ? 603 CLA b O1D 1 +HETATM 56195 O O2D . CLA QF 23 . ? 49.031 3.931 -23.637 1.00 62.25 ? 603 CLA b O2D 1 +HETATM 56196 C CED . CLA QF 23 . ? 49.189 4.653 -24.865 1.00 53.42 ? 603 CLA b CED 1 +HETATM 56197 C C1 . CLA QF 23 . ? 45.993 5.415 -14.550 1.00 50.37 ? 603 CLA b C1 1 +HETATM 56198 C C2 . CLA QF 23 . ? 46.631 4.584 -13.458 1.00 55.04 ? 603 CLA b C2 1 +HETATM 56199 C C3 . CLA QF 23 . ? 46.742 4.976 -12.177 1.00 55.04 ? 603 CLA b C3 1 +HETATM 56200 C C4 . CLA QF 23 . ? 46.244 6.307 -11.698 1.00 63.92 ? 603 CLA b C4 1 +HETATM 56201 C C5 . CLA QF 23 . ? 47.405 4.028 -11.217 1.00 65.37 ? 603 CLA b C5 1 +HETATM 56202 C C6 . CLA QF 23 . ? 47.623 4.572 -9.825 1.00 70.56 ? 603 CLA b C6 1 +HETATM 56203 C C7 . CLA QF 23 . ? 48.730 3.743 -9.195 1.00 66.85 ? 603 CLA b C7 1 +HETATM 56204 C C8 . CLA QF 23 . ? 49.337 4.429 -7.981 1.00 71.75 ? 603 CLA b C8 1 +HETATM 56205 C C9 . CLA QF 23 . ? 50.656 3.741 -7.668 1.00 77.80 ? 603 CLA b C9 1 +HETATM 56206 C C10 . CLA QF 23 . ? 48.385 4.338 -6.788 1.00 72.37 ? 603 CLA b C10 1 +HETATM 56207 C C11 . CLA QF 23 . ? 48.394 5.604 -5.932 1.00 79.34 ? 603 CLA b C11 1 +HETATM 56208 C C12 . CLA QF 23 . ? 47.497 5.429 -4.711 1.00 71.14 ? 603 CLA b C12 1 +HETATM 56209 C C13 . CLA QF 23 . ? 47.850 6.412 -3.609 1.00 76.00 ? 603 CLA b C13 1 +HETATM 56210 C C14 . CLA QF 23 . ? 47.130 6.060 -2.313 1.00 74.42 ? 603 CLA b C14 1 +HETATM 56211 C C15 . CLA QF 23 . ? 47.500 7.822 -4.064 1.00 80.59 ? 603 CLA b C15 1 +HETATM 56212 C C16 . CLA QF 23 . ? 47.638 8.861 -2.949 1.00 79.57 ? 603 CLA b C16 1 +HETATM 56213 C C17 . CLA QF 23 . ? 49.091 9.071 -2.543 1.00 85.45 ? 603 CLA b C17 1 +HETATM 56214 C C18 . CLA QF 23 . ? 49.232 10.177 -1.501 1.00 101.72 ? 603 CLA b C18 1 +HETATM 56215 C C19 . CLA QF 23 . ? 48.757 11.524 -2.042 1.00 84.66 ? 603 CLA b C19 1 +HETATM 56216 C C20 . CLA QF 23 . ? 50.671 10.272 -1.003 1.00 80.42 ? 603 CLA b C20 1 +HETATM 56217 MG MG . CLA RF 23 . ? 37.701 -1.251 -16.880 1.00 49.97 ? 604 CLA b MG 1 +HETATM 56218 C CHA . CLA RF 23 . ? 40.584 -0.117 -18.507 1.00 52.35 ? 604 CLA b CHA 1 +HETATM 56219 C CHB . CLA RF 23 . ? 36.855 -2.884 -19.757 1.00 45.06 ? 604 CLA b CHB 1 +HETATM 56220 C CHC . CLA RF 23 . ? 35.357 -3.014 -15.049 1.00 45.57 ? 604 CLA b CHC 1 +HETATM 56221 C CHD . CLA RF 23 . ? 39.056 0.036 -13.748 1.00 47.34 ? 604 CLA b CHD 1 +HETATM 56222 N NA . CLA RF 23 . ? 38.574 -1.513 -18.778 1.00 50.32 ? 604 CLA b NA 1 +HETATM 56223 C C1A . CLA RF 23 . ? 39.605 -0.933 -19.316 1.00 47.48 ? 604 CLA b C1A 1 +HETATM 56224 C C2A . CLA RF 23 . ? 39.812 -1.122 -20.812 1.00 52.85 ? 604 CLA b C2A 1 +HETATM 56225 C C3A . CLA RF 23 . ? 38.648 -2.063 -21.158 1.00 53.59 ? 604 CLA b C3A 1 +HETATM 56226 C C4A . CLA RF 23 . ? 37.976 -2.150 -19.805 1.00 52.04 ? 604 CLA b C4A 1 +HETATM 56227 C CMA . CLA RF 23 . ? 37.745 -1.583 -22.291 1.00 50.67 ? 604 CLA b CMA 1 +HETATM 56228 C CAA . CLA RF 23 . ? 41.142 -1.762 -21.209 1.00 44.99 ? 604 CLA b CAA 1 +HETATM 56229 C CBA . CLA RF 23 . ? 41.395 -2.987 -20.338 1.00 45.07 ? 604 CLA b CBA 1 +HETATM 56230 C CGA . CLA RF 23 . ? 42.602 -3.730 -20.863 1.00 50.79 ? 604 CLA b CGA 1 +HETATM 56231 O O1A . CLA RF 23 . ? 42.968 -3.660 -22.031 1.00 59.88 ? 604 CLA b O1A 1 +HETATM 56232 O O2A . CLA RF 23 . ? 43.371 -4.524 -19.959 1.00 55.30 ? 604 CLA b O2A 1 +HETATM 56233 N NB . CLA RF 23 . ? 36.325 -2.708 -17.356 1.00 48.35 ? 604 CLA b NB 1 +HETATM 56234 C C1B . CLA RF 23 . ? 36.063 -3.217 -18.561 1.00 46.47 ? 604 CLA b C1B 1 +HETATM 56235 C C2B . CLA RF 23 . ? 34.960 -4.230 -18.579 1.00 52.07 ? 604 CLA b C2B 1 +HETATM 56236 C C3B . CLA RF 23 . ? 34.530 -4.257 -17.158 1.00 49.28 ? 604 CLA b C3B 1 +HETATM 56237 C C4B . CLA RF 23 . ? 35.446 -3.281 -16.508 1.00 43.85 ? 604 CLA b C4B 1 +HETATM 56238 C CMB . CLA RF 23 . ? 34.400 -5.020 -19.710 1.00 44.61 ? 604 CLA b CMB 1 +HETATM 56239 C CAB . CLA RF 23 . ? 33.470 -5.064 -16.487 1.00 46.40 ? 604 CLA b CAB 1 +HETATM 56240 C CBB . CLA RF 23 . ? 32.194 -4.937 -16.784 1.00 55.03 ? 604 CLA b CBB 1 +HETATM 56241 N NC . CLA RF 23 . ? 37.297 -1.423 -14.844 1.00 55.48 ? 604 CLA b NC 1 +HETATM 56242 C C1C . CLA RF 23 . ? 36.328 -2.198 -14.297 1.00 50.04 ? 604 CLA b C1C 1 +HETATM 56243 C C2C . CLA RF 23 . ? 36.271 -2.203 -12.804 1.00 51.11 ? 604 CLA b C2C 1 +HETATM 56244 C C3C . CLA RF 23 . ? 37.377 -1.306 -12.449 1.00 46.70 ? 604 CLA b C3C 1 +HETATM 56245 C C4C . CLA RF 23 . ? 37.915 -0.897 -13.766 1.00 50.43 ? 604 CLA b C4C 1 +HETATM 56246 C CMC . CLA RF 23 . ? 35.350 -2.959 -11.866 1.00 44.34 ? 604 CLA b CMC 1 +HETATM 56247 C CAC . CLA RF 23 . ? 37.850 -0.889 -11.080 1.00 45.45 ? 604 CLA b CAC 1 +HETATM 56248 C CBC . CLA RF 23 . ? 36.787 -0.028 -10.395 1.00 42.24 ? 604 CLA b CBC 1 +HETATM 56249 N ND . CLA RF 23 . ? 39.370 -0.326 -16.198 1.00 52.39 ? 604 CLA b ND 1 +HETATM 56250 C C1D . CLA RF 23 . ? 39.840 0.232 -14.964 1.00 52.73 ? 604 CLA b C1D 1 +HETATM 56251 C C2D . CLA RF 23 . ? 41.120 0.978 -15.038 1.00 55.91 ? 604 CLA b C2D 1 +HETATM 56252 C C3D . CLA RF 23 . ? 41.415 0.827 -16.492 1.00 54.39 ? 604 CLA b C3D 1 +HETATM 56253 C C4D . CLA RF 23 . ? 40.379 0.072 -17.056 1.00 46.22 ? 604 CLA b C4D 1 +HETATM 56254 C CMD . CLA RF 23 . ? 41.981 1.713 -14.050 1.00 51.75 ? 604 CLA b CMD 1 +HETATM 56255 C CAD . CLA RF 23 . ? 42.378 1.140 -17.583 1.00 64.86 ? 604 CLA b CAD 1 +HETATM 56256 O OBD . CLA RF 23 . ? 43.453 1.833 -17.483 1.00 58.67 ? 604 CLA b OBD 1 +HETATM 56257 C CBD . CLA RF 23 . ? 41.885 0.552 -18.849 1.00 53.56 ? 604 CLA b CBD 1 +HETATM 56258 C CGD . CLA RF 23 . ? 41.853 1.692 -19.822 1.00 49.41 ? 604 CLA b CGD 1 +HETATM 56259 O O1D . CLA RF 23 . ? 42.659 1.755 -20.731 1.00 51.67 ? 604 CLA b O1D 1 +HETATM 56260 O O2D . CLA RF 23 . ? 40.902 2.756 -19.709 1.00 50.38 ? 604 CLA b O2D 1 +HETATM 56261 C CED . CLA RF 23 . ? 41.051 3.853 -20.609 1.00 45.30 ? 604 CLA b CED 1 +HETATM 56262 C C1 . CLA RF 23 . ? 44.337 -5.436 -20.454 1.00 63.12 ? 604 CLA b C1 1 +HETATM 56263 C C2 . CLA RF 23 . ? 45.122 -5.852 -19.231 1.00 61.05 ? 604 CLA b C2 1 +HETATM 56264 C C3 . CLA RF 23 . ? 46.440 -5.645 -19.248 1.00 79.09 ? 604 CLA b C3 1 +HETATM 56265 C C4 . CLA RF 23 . ? 47.079 -5.076 -20.477 1.00 85.79 ? 604 CLA b C4 1 +HETATM 56266 C C5 . CLA RF 23 . ? 47.315 -6.031 -18.087 1.00 90.39 ? 604 CLA b C5 1 +HETATM 56267 C C6 . CLA RF 23 . ? 47.608 -7.518 -18.212 1.00 73.43 ? 604 CLA b C6 1 +HETATM 56268 C C7 . CLA RF 23 . ? 48.625 -7.981 -17.184 1.00 94.49 ? 604 CLA b C7 1 +HETATM 56269 C C8 . CLA RF 23 . ? 49.994 -8.249 -17.804 1.00 75.95 ? 604 CLA b C8 1 +HETATM 56270 C C9 . CLA RF 23 . ? 49.948 -8.308 -19.321 1.00 80.52 ? 604 CLA b C9 1 +HETATM 56271 C C10 . CLA RF 23 . ? 50.508 -9.559 -17.238 1.00 84.25 ? 604 CLA b C10 1 +HETATM 56272 C C11 . CLA RF 23 . ? 51.975 -9.768 -17.578 1.00 96.63 ? 604 CLA b C11 1 +HETATM 56273 C C12 . CLA RF 23 . ? 52.787 -9.982 -16.306 1.00 89.08 ? 604 CLA b C12 1 +HETATM 56274 C C13 . CLA RF 23 . ? 53.925 -10.962 -16.559 1.00 97.35 ? 604 CLA b C13 1 +HETATM 56275 C C14 . CLA RF 23 . ? 53.412 -12.381 -16.391 1.00 106.22 ? 604 CLA b C14 1 +HETATM 56276 C C15 . CLA RF 23 . ? 55.076 -10.694 -15.591 1.00 115.15 ? 604 CLA b C15 1 +HETATM 56277 C C16 . CLA RF 23 . ? 56.423 -11.237 -16.078 1.00 121.74 ? 604 CLA b C16 1 +HETATM 56278 C C17 . CLA RF 23 . ? 56.698 -10.874 -17.536 1.00 120.55 ? 604 CLA b C17 1 +HETATM 56279 C C18 . CLA RF 23 . ? 58.163 -10.514 -17.790 1.00 116.42 ? 604 CLA b C18 1 +HETATM 56280 C C19 . CLA RF 23 . ? 58.598 -9.320 -16.943 1.00 97.79 ? 604 CLA b C19 1 +HETATM 56281 C C20 . CLA RF 23 . ? 58.408 -10.236 -19.273 1.00 104.63 ? 604 CLA b C20 1 +HETATM 56282 MG MG . CLA SF 23 . ? 44.824 -8.257 -23.332 1.00 50.61 ? 605 CLA b MG 1 +HETATM 56283 C CHA . CLA SF 23 . ? 42.706 -5.708 -24.345 1.00 44.21 ? 605 CLA b CHA 1 +HETATM 56284 C CHB . CLA SF 23 . ? 47.218 -6.937 -25.327 1.00 49.60 ? 605 CLA b CHB 1 +HETATM 56285 C CHC . CLA SF 23 . ? 47.056 -10.320 -21.766 1.00 46.89 ? 605 CLA b CHC 1 +HETATM 56286 C CHD . CLA SF 23 . ? 42.342 -9.066 -20.716 1.00 49.98 ? 605 CLA b CHD 1 +HETATM 56287 N NA . CLA SF 23 . ? 44.968 -6.603 -24.549 1.00 46.25 ? 605 CLA b NA 1 +HETATM 56288 C C1A . CLA SF 23 . ? 44.045 -5.807 -24.973 1.00 50.43 ? 605 CLA b C1A 1 +HETATM 56289 C C2A . CLA SF 23 . ? 44.404 -4.821 -26.045 1.00 46.10 ? 605 CLA b C2A 1 +HETATM 56290 C C3A . CLA SF 23 . ? 45.820 -5.272 -26.372 1.00 49.97 ? 605 CLA b C3A 1 +HETATM 56291 C C4A . CLA SF 23 . ? 46.019 -6.346 -25.347 1.00 58.11 ? 605 CLA b C4A 1 +HETATM 56292 C CMA . CLA SF 23 . ? 45.795 -5.927 -27.754 1.00 49.02 ? 605 CLA b CMA 1 +HETATM 56293 C CAA . CLA SF 23 . ? 44.468 -3.381 -25.492 1.00 52.38 ? 605 CLA b CAA 1 +HETATM 56294 C CBA . CLA SF 23 . ? 45.448 -3.239 -24.313 1.00 50.97 ? 605 CLA b CBA 1 +HETATM 56295 C CGA . CLA SF 23 . ? 45.196 -2.059 -23.388 1.00 54.64 ? 605 CLA b CGA 1 +HETATM 56296 O O1A . CLA SF 23 . ? 44.623 -1.018 -23.677 1.00 53.06 ? 605 CLA b O1A 1 +HETATM 56297 O O2A . CLA SF 23 . ? 45.663 -2.177 -22.044 1.00 59.71 ? 605 CLA b O2A 1 +HETATM 56298 N NB . CLA SF 23 . ? 46.837 -8.577 -23.517 1.00 53.70 ? 605 CLA b NB 1 +HETATM 56299 C C1B . CLA SF 23 . ? 47.654 -8.007 -24.407 1.00 50.03 ? 605 CLA b C1B 1 +HETATM 56300 C C2B . CLA SF 23 . ? 49.054 -8.515 -24.387 1.00 51.03 ? 605 CLA b C2B 1 +HETATM 56301 C C3B . CLA SF 23 . ? 48.984 -9.527 -23.320 1.00 52.44 ? 605 CLA b C3B 1 +HETATM 56302 C C4B . CLA SF 23 . ? 47.576 -9.474 -22.850 1.00 46.20 ? 605 CLA b C4B 1 +HETATM 56303 C CMB . CLA SF 23 . ? 50.246 -8.142 -25.226 1.00 52.91 ? 605 CLA b CMB 1 +HETATM 56304 C CAB . CLA SF 23 . ? 50.112 -10.370 -22.868 1.00 52.02 ? 605 CLA b CAB 1 +HETATM 56305 C CBB . CLA SF 23 . ? 49.974 -11.341 -22.007 1.00 63.15 ? 605 CLA b CBB 1 +HETATM 56306 N NC . CLA SF 23 . ? 44.708 -9.417 -21.641 1.00 44.17 ? 605 CLA b NC 1 +HETATM 56307 C C1C . CLA SF 23 . ? 45.720 -10.183 -21.171 1.00 49.01 ? 605 CLA b C1C 1 +HETATM 56308 C C2C . CLA SF 23 . ? 45.415 -10.938 -19.928 1.00 46.27 ? 605 CLA b C2C 1 +HETATM 56309 C C3C . CLA SF 23 . ? 44.024 -10.548 -19.632 1.00 44.80 ? 605 CLA b C3C 1 +HETATM 56310 C C4C . CLA SF 23 . ? 43.704 -9.631 -20.747 1.00 55.45 ? 605 CLA b C4C 1 +HETATM 56311 C CMC . CLA SF 23 . ? 46.301 -11.871 -19.148 1.00 48.55 ? 605 CLA b CMC 1 +HETATM 56312 C CAC . CLA SF 23 . ? 43.117 -10.991 -18.502 1.00 50.04 ? 605 CLA b CAC 1 +HETATM 56313 C CBC . CLA SF 23 . ? 43.185 -9.949 -17.396 1.00 46.95 ? 605 CLA b CBC 1 +HETATM 56314 N ND . CLA SF 23 . ? 43.017 -7.621 -22.618 1.00 49.42 ? 605 CLA b ND 1 +HETATM 56315 C C1D . CLA SF 23 . ? 42.044 -7.978 -21.630 1.00 44.06 ? 605 CLA b C1D 1 +HETATM 56316 C C2D . CLA SF 23 . ? 40.776 -7.199 -21.629 1.00 49.45 ? 605 CLA b C2D 1 +HETATM 56317 C C3D . CLA SF 23 . ? 41.071 -6.282 -22.762 1.00 41.67 ? 605 CLA b C3D 1 +HETATM 56318 C C4D . CLA SF 23 . ? 42.332 -6.602 -23.243 1.00 38.87 ? 605 CLA b C4D 1 +HETATM 56319 C CMD . CLA SF 23 . ? 39.502 -7.210 -20.823 1.00 44.88 ? 605 CLA b CMD 1 +HETATM 56320 C CAD . CLA SF 23 . ? 40.563 -5.149 -23.587 1.00 51.81 ? 605 CLA b CAD 1 +HETATM 56321 O OBD . CLA SF 23 . ? 39.412 -4.621 -23.429 1.00 44.50 ? 605 CLA b OBD 1 +HETATM 56322 C CBD . CLA SF 23 . ? 41.568 -4.788 -24.639 1.00 44.52 ? 605 CLA b CBD 1 +HETATM 56323 C CGD . CLA SF 23 . ? 41.021 -5.245 -25.985 1.00 52.29 ? 605 CLA b CGD 1 +HETATM 56324 O O1D . CLA SF 23 . ? 40.999 -4.544 -26.997 1.00 51.77 ? 605 CLA b O1D 1 +HETATM 56325 O O2D . CLA SF 23 . ? 40.477 -6.577 -26.160 1.00 55.93 ? 605 CLA b O2D 1 +HETATM 56326 C CED . CLA SF 23 . ? 39.956 -6.927 -27.447 1.00 52.27 ? 605 CLA b CED 1 +HETATM 56327 C C1 . CLA SF 23 . ? 45.490 -1.134 -21.101 1.00 57.10 ? 605 CLA b C1 1 +HETATM 56328 C C2 . CLA SF 23 . ? 46.267 -1.600 -19.894 1.00 64.45 ? 605 CLA b C2 1 +HETATM 56329 C C3 . CLA SF 23 . ? 46.554 -0.786 -18.879 1.00 62.64 ? 605 CLA b C3 1 +HETATM 56330 C C4 . CLA SF 23 . ? 46.137 0.657 -18.904 1.00 72.31 ? 605 CLA b C4 1 +HETATM 56331 C C5 . CLA SF 23 . ? 47.333 -1.314 -17.712 1.00 63.58 ? 605 CLA b C5 1 +HETATM 56332 C C6 . CLA SF 23 . ? 47.215 -0.401 -16.504 1.00 73.08 ? 605 CLA b C6 1 +HETATM 56333 C C7 . CLA SF 23 . ? 48.370 -0.675 -15.560 1.00 78.26 ? 605 CLA b C7 1 +HETATM 56334 C C8 . CLA SF 23 . ? 48.012 -0.261 -14.137 1.00 78.00 ? 605 CLA b C8 1 +HETATM 56335 C C9 . CLA SF 23 . ? 47.390 1.124 -14.133 1.00 71.39 ? 605 CLA b C9 1 +HETATM 56336 C C10 . CLA SF 23 . ? 49.289 -0.315 -13.317 1.00 70.76 ? 605 CLA b C10 1 +HETATM 56337 C C11 . CLA SF 23 . ? 49.086 0.138 -11.882 1.00 66.00 ? 605 CLA b C11 1 +HETATM 56338 C C12 . CLA SF 23 . ? 49.619 -0.956 -10.972 1.00 72.96 ? 605 CLA b C12 1 +HETATM 56339 C C13 . CLA SF 23 . ? 51.136 -0.969 -10.988 1.00 66.97 ? 605 CLA b C13 1 +HETATM 56340 C C14 . CLA SF 23 . ? 51.587 -2.135 -10.134 1.00 70.26 ? 605 CLA b C14 1 +HETATM 56341 C C15 . CLA SF 23 . ? 51.639 0.369 -10.444 1.00 83.72 ? 605 CLA b C15 1 +HETATM 56342 C C16 . CLA SF 23 . ? 53.130 0.403 -10.102 1.00 68.81 ? 605 CLA b C16 1 +HETATM 56343 C C17 . CLA SF 23 . ? 53.931 0.663 -11.363 1.00 72.36 ? 605 CLA b C17 1 +HETATM 56344 C C18 . CLA SF 23 . ? 55.402 0.945 -11.088 1.00 79.61 ? 605 CLA b C18 1 +HETATM 56345 C C19 . CLA SF 23 . ? 55.587 2.268 -10.355 1.00 72.32 ? 605 CLA b C19 1 +HETATM 56346 C C20 . CLA SF 23 . ? 56.195 0.921 -12.399 1.00 69.33 ? 605 CLA b C20 1 +HETATM 56347 MG MG . CLA TF 23 . ? 53.424 -4.424 -27.648 1.00 58.32 ? 606 CLA b MG 1 +HETATM 56348 C CHA . CLA TF 23 . ? 52.560 -5.566 -30.823 1.00 51.32 ? 606 CLA b CHA 1 +HETATM 56349 C CHB . CLA TF 23 . ? 50.144 -4.658 -26.832 1.00 51.87 ? 606 CLA b CHB 1 +HETATM 56350 C CHC . CLA TF 23 . ? 54.353 -4.308 -24.330 1.00 53.31 ? 606 CLA b CHC 1 +HETATM 56351 C CHD . CLA TF 23 . ? 56.956 -4.906 -28.556 1.00 57.90 ? 606 CLA b CHD 1 +HETATM 56352 N NA . CLA TF 23 . ? 51.680 -5.066 -28.615 1.00 57.82 ? 606 CLA b NA 1 +HETATM 56353 C C1A . CLA TF 23 . ? 51.457 -5.331 -29.853 1.00 48.08 ? 606 CLA b C1A 1 +HETATM 56354 C C2A . CLA TF 23 . ? 50.021 -5.481 -30.289 1.00 55.56 ? 606 CLA b C2A 1 +HETATM 56355 C C3A . CLA TF 23 . ? 49.282 -5.154 -29.013 1.00 56.32 ? 606 CLA b C3A 1 +HETATM 56356 C C4A . CLA TF 23 . ? 50.449 -4.938 -28.097 1.00 54.38 ? 606 CLA b C4A 1 +HETATM 56357 C CMA . CLA TF 23 . ? 48.539 -3.847 -29.236 1.00 48.53 ? 606 CLA b CMA 1 +HETATM 56358 C CAA . CLA TF 23 . ? 49.627 -6.940 -30.609 1.00 43.74 ? 606 CLA b CAA 1 +HETATM 56359 C CBA . CLA TF 23 . ? 50.086 -7.980 -29.594 1.00 46.49 ? 606 CLA b CBA 1 +HETATM 56360 C CGA . CLA TF 23 . ? 48.952 -8.677 -28.847 1.00 53.86 ? 606 CLA b CGA 1 +HETATM 56361 O O1A . CLA TF 23 . ? 47.778 -8.342 -28.922 1.00 53.07 ? 606 CLA b O1A 1 +HETATM 56362 O O2A . CLA TF 23 . ? 49.271 -9.809 -28.011 1.00 51.51 ? 606 CLA b O2A 1 +HETATM 56363 N NB . CLA TF 23 . ? 52.408 -4.466 -25.867 1.00 55.13 ? 606 CLA b NB 1 +HETATM 56364 C C1B . CLA TF 23 . ? 51.085 -4.484 -25.718 1.00 56.67 ? 606 CLA b C1B 1 +HETATM 56365 C C2B . CLA TF 23 . ? 50.599 -4.437 -24.321 1.00 58.69 ? 606 CLA b C2B 1 +HETATM 56366 C C3B . CLA TF 23 . ? 51.866 -4.343 -23.570 1.00 58.24 ? 606 CLA b C3B 1 +HETATM 56367 C C4B . CLA TF 23 . ? 52.915 -4.378 -24.630 1.00 59.74 ? 606 CLA b C4B 1 +HETATM 56368 C CMB . CLA TF 23 . ? 49.184 -4.449 -23.809 1.00 55.43 ? 606 CLA b CMB 1 +HETATM 56369 C CAB . CLA TF 23 . ? 52.028 -4.221 -22.100 1.00 60.66 ? 606 CLA b CAB 1 +HETATM 56370 C CBB . CLA TF 23 . ? 52.747 -5.073 -21.404 1.00 72.59 ? 606 CLA b CBB 1 +HETATM 56371 N NC . CLA TF 23 . ? 55.252 -4.542 -26.686 1.00 72.96 ? 606 CLA b NC 1 +HETATM 56372 C C1C . CLA TF 23 . ? 55.412 -4.517 -25.339 1.00 58.88 ? 606 CLA b C1C 1 +HETATM 56373 C C2C . CLA TF 23 . ? 56.814 -4.726 -24.881 1.00 63.73 ? 606 CLA b C2C 1 +HETATM 56374 C C3C . CLA TF 23 . ? 57.554 -4.896 -26.149 1.00 58.89 ? 606 CLA b C3C 1 +HETATM 56375 C C4C . CLA TF 23 . ? 56.500 -4.765 -27.167 1.00 56.94 ? 606 CLA b C4C 1 +HETATM 56376 C CMC . CLA TF 23 . ? 57.358 -4.765 -23.476 1.00 57.26 ? 606 CLA b CMC 1 +HETATM 56377 C CAC . CLA TF 23 . ? 59.017 -5.149 -26.398 1.00 64.39 ? 606 CLA b CAC 1 +HETATM 56378 C CBC . CLA TF 23 . ? 59.193 -6.642 -26.265 1.00 62.94 ? 606 CLA b CBC 1 +HETATM 56379 N ND . CLA TF 23 . ? 54.560 -5.081 -29.199 1.00 59.06 ? 606 CLA b ND 1 +HETATM 56380 C C1D . CLA TF 23 . ? 55.940 -5.201 -29.559 1.00 65.98 ? 606 CLA b C1D 1 +HETATM 56381 C C2D . CLA TF 23 . ? 56.210 -5.622 -30.954 1.00 64.29 ? 606 CLA b C2D 1 +HETATM 56382 C C3D . CLA TF 23 . ? 54.813 -5.765 -31.437 1.00 64.50 ? 606 CLA b C3D 1 +HETATM 56383 C C4D . CLA TF 23 . ? 53.964 -5.460 -30.391 1.00 58.96 ? 606 CLA b C4D 1 +HETATM 56384 C CMD . CLA TF 23 . ? 57.425 -5.864 -31.804 1.00 69.21 ? 606 CLA b CMD 1 +HETATM 56385 C CAD . CLA TF 23 . ? 53.977 -6.112 -32.610 1.00 64.78 ? 606 CLA b CAD 1 +HETATM 56386 O OBD . CLA TF 23 . ? 54.459 -6.445 -33.745 1.00 71.68 ? 606 CLA b OBD 1 +HETATM 56387 C CBD . CLA TF 23 . ? 52.540 -6.012 -32.249 1.00 61.04 ? 606 CLA b CBD 1 +HETATM 56388 C CGD . CLA TF 23 . ? 51.842 -5.075 -33.196 1.00 55.83 ? 606 CLA b CGD 1 +HETATM 56389 O O1D . CLA TF 23 . ? 52.309 -4.008 -33.524 1.00 69.40 ? 606 CLA b O1D 1 +HETATM 56390 O O2D . CLA TF 23 . ? 50.580 -5.441 -33.786 1.00 68.26 ? 606 CLA b O2D 1 +HETATM 56391 C CED . CLA TF 23 . ? 50.014 -4.631 -34.802 1.00 61.86 ? 606 CLA b CED 1 +HETATM 56392 C C1 . CLA TF 23 . ? 48.279 -10.474 -27.238 1.00 55.98 ? 606 CLA b C1 1 +HETATM 56393 C C2 . CLA TF 23 . ? 48.951 -11.661 -26.604 1.00 50.59 ? 606 CLA b C2 1 +HETATM 56394 C C3 . CLA TF 23 . ? 48.277 -12.502 -25.805 1.00 62.10 ? 606 CLA b C3 1 +HETATM 56395 C C4 . CLA TF 23 . ? 46.814 -12.268 -25.530 1.00 45.16 ? 606 CLA b C4 1 +HETATM 56396 C C5 . CLA TF 23 . ? 49.025 -13.671 -25.200 1.00 51.52 ? 606 CLA b C5 1 +HETATM 56397 C C6 . CLA TF 23 . ? 49.007 -14.902 -26.095 1.00 57.56 ? 606 CLA b C6 1 +HETATM 56398 C C7 . CLA TF 23 . ? 49.777 -16.073 -25.491 1.00 63.87 ? 606 CLA b C7 1 +HETATM 56399 C C8 . CLA TF 23 . ? 49.660 -17.337 -26.345 1.00 72.43 ? 606 CLA b C8 1 +HETATM 56400 C C9 . CLA TF 23 . ? 48.201 -17.642 -26.664 1.00 67.62 ? 606 CLA b C9 1 +HETATM 56401 C C10 . CLA TF 23 . ? 50.309 -18.530 -25.636 1.00 82.85 ? 606 CLA b C10 1 +HETATM 56402 C C11 . CLA TF 23 . ? 51.676 -18.883 -26.228 1.00 96.59 ? 606 CLA b C11 1 +HETATM 56403 C C12 . CLA TF 23 . ? 52.075 -20.349 -26.026 1.00 111.53 ? 606 CLA b C12 1 +HETATM 56404 C C13 . CLA TF 23 . ? 53.237 -20.530 -25.043 1.00 129.75 ? 606 CLA b C13 1 +HETATM 56405 C C14 . CLA TF 23 . ? 54.417 -19.622 -25.401 1.00 99.02 ? 606 CLA b C14 1 +HETATM 56406 C C15 . CLA TF 23 . ? 53.690 -21.996 -24.988 1.00 132.00 ? 606 CLA b C15 1 +HETATM 56407 C C16 . CLA TF 23 . ? 52.594 -23.038 -25.220 1.00 115.62 ? 606 CLA b C16 1 +HETATM 56408 C C17 . CLA TF 23 . ? 52.147 -23.728 -23.927 1.00 118.85 ? 606 CLA b C17 1 +HETATM 56409 C C18 . CLA TF 23 . ? 52.705 -25.144 -23.714 1.00 117.22 ? 606 CLA b C18 1 +HETATM 56410 C C19 . CLA TF 23 . ? 53.380 -25.730 -24.953 1.00 126.06 ? 606 CLA b C19 1 +HETATM 56411 C C20 . CLA TF 23 . ? 51.616 -26.093 -23.216 1.00 87.62 ? 606 CLA b C20 1 +HETATM 56412 MG MG . CLA UF 23 . ? 29.363 -3.637 -24.294 1.00 47.78 ? 607 CLA b MG 1 +HETATM 56413 C CHA . CLA UF 23 . ? 27.171 -2.874 -26.889 1.00 48.05 ? 607 CLA b CHA 1 +HETATM 56414 C CHB . CLA UF 23 . ? 29.815 -0.293 -23.824 1.00 44.09 ? 607 CLA b CHB 1 +HETATM 56415 C CHC . CLA UF 23 . ? 30.777 -4.361 -21.253 1.00 48.44 ? 607 CLA b CHC 1 +HETATM 56416 C CHD . CLA UF 23 . ? 28.298 -7.107 -24.547 1.00 43.61 ? 607 CLA b CHD 1 +HETATM 56417 N NA . CLA UF 23 . ? 28.604 -1.885 -25.159 1.00 48.38 ? 607 CLA b NA 1 +HETATM 56418 C C1A . CLA UF 23 . ? 27.866 -1.730 -26.206 1.00 48.98 ? 607 CLA b C1A 1 +HETATM 56419 C C2A . CLA UF 23 . ? 27.662 -0.322 -26.710 1.00 48.85 ? 607 CLA b C2A 1 +HETATM 56420 C C3A . CLA UF 23 . ? 28.553 0.462 -25.773 1.00 45.27 ? 607 CLA b C3A 1 +HETATM 56421 C C4A . CLA UF 23 . ? 29.039 -0.647 -24.866 1.00 48.47 ? 607 CLA b C4A 1 +HETATM 56422 C CMA . CLA UF 23 . ? 29.691 1.009 -26.631 1.00 43.65 ? 607 CLA b CMA 1 +HETATM 56423 C CAA . CLA UF 23 . ? 26.224 0.122 -26.361 1.00 40.51 ? 607 CLA b CAA 1 +HETATM 56424 C CBA . CLA UF 23 . ? 25.936 -0.076 -24.858 1.00 46.84 ? 607 CLA b CBA 1 +HETATM 56425 C CGA . CLA UF 23 . ? 24.511 0.046 -24.353 1.00 45.37 ? 607 CLA b CGA 1 +HETATM 56426 O O1A . CLA UF 23 . ? 23.526 0.297 -25.029 1.00 48.95 ? 607 CLA b O1A 1 +HETATM 56427 O O2A . CLA UF 23 . ? 24.321 -0.171 -22.952 1.00 47.10 ? 607 CLA b O2A 1 +HETATM 56428 N NB . CLA UF 23 . ? 30.185 -2.493 -22.797 1.00 48.25 ? 607 CLA b NB 1 +HETATM 56429 C C1B . CLA UF 23 . ? 30.336 -1.174 -22.768 1.00 45.83 ? 607 CLA b C1B 1 +HETATM 56430 C C2B . CLA UF 23 . ? 30.943 -0.644 -21.501 1.00 52.01 ? 607 CLA b C2B 1 +HETATM 56431 C C3B . CLA UF 23 . ? 31.215 -1.890 -20.749 1.00 49.22 ? 607 CLA b C3B 1 +HETATM 56432 C C4B . CLA UF 23 . ? 30.702 -2.944 -21.647 1.00 45.76 ? 607 CLA b C4B 1 +HETATM 56433 C CMB . CLA UF 23 . ? 31.240 0.775 -21.102 1.00 51.66 ? 607 CLA b CMB 1 +HETATM 56434 C CAB . CLA UF 23 . ? 31.825 -2.119 -19.418 1.00 51.03 ? 607 CLA b CAB 1 +HETATM 56435 C CBB . CLA UF 23 . ? 32.759 -1.334 -18.914 1.00 54.94 ? 607 CLA b CBB 1 +HETATM 56436 N NC . CLA UF 23 . ? 29.510 -5.373 -23.171 1.00 49.22 ? 607 CLA b NC 1 +HETATM 56437 C C1C . CLA UF 23 . ? 30.083 -5.451 -21.952 1.00 50.43 ? 607 CLA b C1C 1 +HETATM 56438 C C2C . CLA UF 23 . ? 29.994 -6.779 -21.279 1.00 50.75 ? 607 CLA b C2C 1 +HETATM 56439 C C3C . CLA UF 23 . ? 29.252 -7.592 -22.268 1.00 46.59 ? 607 CLA b C3C 1 +HETATM 56440 C C4C . CLA UF 23 . ? 29.019 -6.615 -23.363 1.00 48.49 ? 607 CLA b C4C 1 +HETATM 56441 C CMC . CLA UF 23 . ? 30.517 -7.161 -19.912 1.00 43.04 ? 607 CLA b CMC 1 +HETATM 56442 C CAC . CLA UF 23 . ? 28.813 -9.042 -22.192 1.00 45.79 ? 607 CLA b CAC 1 +HETATM 56443 C CBC . CLA UF 23 . ? 27.436 -9.034 -21.566 1.00 41.85 ? 607 CLA b CBC 1 +HETATM 56444 N ND . CLA UF 23 . ? 28.063 -4.778 -25.365 1.00 46.36 ? 607 CLA b ND 1 +HETATM 56445 C C1D . CLA UF 23 . ? 27.728 -6.154 -25.489 1.00 44.76 ? 607 CLA b C1D 1 +HETATM 56446 C C2D . CLA UF 23 . ? 26.810 -6.508 -26.604 1.00 54.14 ? 607 CLA b C2D 1 +HETATM 56447 C C3D . CLA UF 23 . ? 26.591 -5.144 -27.166 1.00 42.38 ? 607 CLA b C3D 1 +HETATM 56448 C C4D . CLA UF 23 . ? 27.316 -4.254 -26.390 1.00 38.68 ? 607 CLA b C4D 1 +HETATM 56449 C CMD . CLA UF 23 . ? 26.192 -7.793 -27.106 1.00 46.58 ? 607 CLA b CMD 1 +HETATM 56450 C CAD . CLA UF 23 . ? 25.876 -4.345 -28.193 1.00 45.71 ? 607 CLA b CAD 1 +HETATM 56451 O OBD . CLA UF 23 . ? 25.112 -4.800 -29.094 1.00 46.62 ? 607 CLA b OBD 1 +HETATM 56452 C CBD . CLA UF 23 . ? 26.223 -2.924 -28.051 1.00 47.88 ? 607 CLA b CBD 1 +HETATM 56453 C CGD . CLA UF 23 . ? 26.793 -2.511 -29.374 1.00 51.20 ? 607 CLA b CGD 1 +HETATM 56454 O O1D . CLA UF 23 . ? 26.389 -1.524 -29.985 1.00 48.11 ? 607 CLA b O1D 1 +HETATM 56455 O O2D . CLA UF 23 . ? 27.822 -3.313 -29.978 1.00 48.10 ? 607 CLA b O2D 1 +HETATM 56456 C CED . CLA UF 23 . ? 28.133 -2.966 -31.324 1.00 46.11 ? 607 CLA b CED 1 +HETATM 56457 C C1 . CLA UF 23 . ? 23.032 -0.152 -22.360 1.00 58.25 ? 607 CLA b C1 1 +HETATM 56458 C C2 . CLA UF 23 . ? 23.266 -0.035 -20.873 1.00 49.53 ? 607 CLA b C2 1 +HETATM 56459 C C3 . CLA UF 23 . ? 22.271 -0.140 -19.975 1.00 75.25 ? 607 CLA b C3 1 +HETATM 56460 C C4 . CLA UF 23 . ? 20.855 -0.380 -20.424 1.00 55.21 ? 607 CLA b C4 1 +HETATM 56461 C C5 . CLA UF 23 . ? 22.583 0.023 -18.499 1.00 60.10 ? 607 CLA b C5 1 +HETATM 56462 C C6 . CLA UF 23 . ? 22.242 -1.195 -17.663 1.00 65.40 ? 607 CLA b C6 1 +HETATM 56463 C C7 . CLA UF 23 . ? 21.806 -0.759 -16.262 1.00 69.97 ? 607 CLA b C7 1 +HETATM 56464 C C8 . CLA UF 23 . ? 21.623 -1.990 -15.378 1.00 72.88 ? 607 CLA b C8 1 +HETATM 56465 C C9 . CLA UF 23 . ? 20.300 -2.710 -15.633 1.00 81.53 ? 607 CLA b C9 1 +HETATM 56466 C C10 . CLA UF 23 . ? 21.692 -1.580 -13.925 1.00 67.19 ? 607 CLA b C10 1 +HETATM 56467 C C11 . CLA UF 23 . ? 21.503 -2.800 -13.033 1.00 84.50 ? 607 CLA b C11 1 +HETATM 56468 C C12 . CLA UF 23 . ? 21.122 -2.309 -11.638 1.00 82.80 ? 607 CLA b C12 1 +HETATM 56469 C C13 . CLA UF 23 . ? 21.057 -3.416 -10.595 1.00 89.26 ? 607 CLA b C13 1 +HETATM 56470 C C14 . CLA UF 23 . ? 20.185 -4.582 -11.070 1.00 78.02 ? 607 CLA b C14 1 +HETATM 56471 C C15 . CLA UF 23 . ? 20.550 -2.789 -9.294 1.00 64.97 ? 607 CLA b C15 1 +HETATM 56472 C C16 . CLA UF 23 . ? 21.125 -3.470 -8.061 1.00 72.93 ? 607 CLA b C16 1 +HETATM 56473 C C17 . CLA UF 23 . ? 20.356 -3.034 -6.823 1.00 70.09 ? 607 CLA b C17 1 +HETATM 56474 C C18 . CLA UF 23 . ? 20.636 -3.948 -5.639 1.00 70.70 ? 607 CLA b C18 1 +HETATM 56475 C C19 . CLA UF 23 . ? 19.937 -3.474 -4.367 1.00 74.42 ? 607 CLA b C19 1 +HETATM 56476 C C20 . CLA UF 23 . ? 22.135 -4.037 -5.402 1.00 94.19 ? 607 CLA b C20 1 +HETATM 56477 MG MG . CLA VF 23 . ? 41.399 4.689 2.946 1.00 55.73 ? 608 CLA b MG 1 +HETATM 56478 C CHA . CLA VF 23 . ? 43.576 2.534 4.578 1.00 49.32 ? 608 CLA b CHA 1 +HETATM 56479 C CHB . CLA VF 23 . ? 39.567 4.811 5.801 1.00 50.24 ? 608 CLA b CHB 1 +HETATM 56480 C CHC . CLA VF 23 . ? 39.618 7.209 1.526 1.00 54.07 ? 608 CLA b CHC 1 +HETATM 56481 C CHD . CLA VF 23 . ? 43.847 4.942 0.223 1.00 52.98 ? 608 CLA b CHD 1 +HETATM 56482 N NA . CLA VF 23 . ? 41.564 3.877 4.865 1.00 54.46 ? 608 CLA b NA 1 +HETATM 56483 C C1A . CLA VF 23 . ? 42.385 3.004 5.335 1.00 51.77 ? 608 CLA b C1A 1 +HETATM 56484 C C2A . CLA VF 23 . ? 42.084 2.427 6.687 1.00 55.06 ? 608 CLA b C2A 1 +HETATM 56485 C C3A . CLA VF 23 . ? 40.776 3.115 7.015 1.00 61.54 ? 608 CLA b C3A 1 +HETATM 56486 C C4A . CLA VF 23 . ? 40.632 4.001 5.817 1.00 51.70 ? 608 CLA b C4A 1 +HETATM 56487 C CMA . CLA VF 23 . ? 39.699 2.039 6.868 1.00 53.93 ? 608 CLA b CMA 1 +HETATM 56488 C CAA . CLA VF 23 . ? 43.110 2.911 7.738 1.00 61.38 ? 608 CLA b CAA 1 +HETATM 56489 C CBA . CLA VF 23 . ? 43.145 4.432 8.028 1.00 56.07 ? 608 CLA b CBA 1 +HETATM 56490 C CGA . CLA VF 23 . ? 43.824 5.218 6.921 1.00 59.38 ? 608 CLA b CGA 1 +HETATM 56491 O O1A . CLA VF 23 . ? 44.892 4.871 6.421 1.00 64.22 ? 608 CLA b O1A 1 +HETATM 56492 O O2A . CLA VF 23 . ? 43.178 6.400 6.383 1.00 64.58 ? 608 CLA b O2A 1 +HETATM 56493 N NB . CLA VF 23 . ? 39.831 5.835 3.571 1.00 54.74 ? 608 CLA b NB 1 +HETATM 56494 C C1B . CLA VF 23 . ? 39.187 5.753 4.733 1.00 44.57 ? 608 CLA b C1B 1 +HETATM 56495 C C2B . CLA VF 23 . ? 38.060 6.710 4.886 1.00 50.90 ? 608 CLA b C2B 1 +HETATM 56496 C C3B . CLA VF 23 . ? 38.080 7.435 3.585 1.00 41.37 ? 608 CLA b C3B 1 +HETATM 56497 C C4B . CLA VF 23 . ? 39.220 6.800 2.873 1.00 47.14 ? 608 CLA b C4B 1 +HETATM 56498 C CMB . CLA VF 23 . ? 37.161 6.846 6.082 1.00 54.89 ? 608 CLA b CMB 1 +HETATM 56499 C CAB . CLA VF 23 . ? 37.231 8.539 3.037 1.00 54.62 ? 608 CLA b CAB 1 +HETATM 56500 C CBB . CLA VF 23 . ? 35.978 8.752 3.413 1.00 51.01 ? 608 CLA b CBB 1 +HETATM 56501 N NC . CLA VF 23 . ? 41.695 5.820 1.251 1.00 50.73 ? 608 CLA b NC 1 +HETATM 56502 C C1C . CLA VF 23 . ? 40.840 6.776 0.832 1.00 54.07 ? 608 CLA b C1C 1 +HETATM 56503 C C2C . CLA VF 23 . ? 41.201 7.434 -0.448 1.00 58.17 ? 608 CLA b C2C 1 +HETATM 56504 C C3C . CLA VF 23 . ? 42.447 6.746 -0.808 1.00 55.23 ? 608 CLA b C3C 1 +HETATM 56505 C C4C . CLA VF 23 . ? 42.652 5.795 0.303 1.00 51.30 ? 608 CLA b C4C 1 +HETATM 56506 C CMC . CLA VF 23 . ? 40.519 8.526 -1.238 1.00 55.24 ? 608 CLA b CMC 1 +HETATM 56507 C CAC . CLA VF 23 . ? 43.297 6.988 -2.023 1.00 62.14 ? 608 CLA b CAC 1 +HETATM 56508 C CBC . CLA VF 23 . ? 42.815 5.967 -3.029 1.00 65.88 ? 608 CLA b CBC 1 +HETATM 56509 N ND . CLA VF 23 . ? 43.261 4.036 2.473 1.00 51.41 ? 608 CLA b ND 1 +HETATM 56510 C C1D . CLA VF 23 . ? 44.116 4.031 1.332 1.00 52.19 ? 608 CLA b C1D 1 +HETATM 56511 C C2D . CLA VF 23 . ? 45.240 3.073 1.370 1.00 52.26 ? 608 CLA b C2D 1 +HETATM 56512 C C3D . CLA VF 23 . ? 45.007 2.467 2.713 1.00 48.16 ? 608 CLA b C3D 1 +HETATM 56513 C C4D . CLA VF 23 . ? 43.894 3.089 3.249 1.00 45.81 ? 608 CLA b C4D 1 +HETATM 56514 C CMD . CLA VF 23 . ? 46.346 2.735 0.415 1.00 51.46 ? 608 CLA b CMD 1 +HETATM 56515 C CAD . CLA VF 23 . ? 45.483 1.474 3.710 1.00 53.25 ? 608 CLA b CAD 1 +HETATM 56516 O OBD . CLA VF 23 . ? 46.501 0.702 3.569 1.00 60.29 ? 608 CLA b OBD 1 +HETATM 56517 C CBD . CLA VF 23 . ? 44.597 1.508 4.902 1.00 57.69 ? 608 CLA b CBD 1 +HETATM 56518 C CGD . CLA VF 23 . ? 44.058 0.135 5.165 1.00 60.36 ? 608 CLA b CGD 1 +HETATM 56519 O O1D . CLA VF 23 . ? 43.131 -0.332 4.538 1.00 68.58 ? 608 CLA b O1D 1 +HETATM 56520 O O2D . CLA VF 23 . ? 44.654 -0.664 6.205 1.00 60.18 ? 608 CLA b O2D 1 +HETATM 56521 C CED . CLA VF 23 . ? 44.059 -1.922 6.525 1.00 64.92 ? 608 CLA b CED 1 +HETATM 56522 C C1 . CLA VF 23 . ? 43.722 7.058 5.242 1.00 65.03 ? 608 CLA b C1 1 +HETATM 56523 C C2 . CLA VF 23 . ? 43.902 8.537 5.504 1.00 64.57 ? 608 CLA b C2 1 +HETATM 56524 C C3 . CLA VF 23 . ? 43.101 9.427 4.891 1.00 69.67 ? 608 CLA b C3 1 +HETATM 56525 C C4 . CLA VF 23 . ? 42.037 8.957 3.939 1.00 60.84 ? 608 CLA b C4 1 +HETATM 56526 C C5 . CLA VF 23 . ? 43.269 10.910 5.123 1.00 62.45 ? 608 CLA b C5 1 +HETATM 56527 C C6 . CLA VF 23 . ? 43.961 11.582 3.938 1.00 58.33 ? 608 CLA b C6 1 +HETATM 56528 C C7 . CLA VF 23 . ? 44.121 13.081 4.172 1.00 74.24 ? 608 CLA b C7 1 +HETATM 56529 C C8 . CLA VF 23 . ? 44.796 13.779 2.996 1.00 69.28 ? 608 CLA b C8 1 +HETATM 56530 C C9 . CLA VF 23 . ? 46.292 13.475 2.971 1.00 70.82 ? 608 CLA b C9 1 +HETATM 56531 C C10 . CLA VF 23 . ? 44.541 15.284 3.069 1.00 70.66 ? 608 CLA b C10 1 +HETATM 56532 C C11 . CLA VF 23 . ? 45.212 15.944 1.875 1.00 63.37 ? 608 CLA b C11 1 +HETATM 56533 C C12 . CLA VF 23 . ? 44.611 17.294 1.532 1.00 67.30 ? 608 CLA b C12 1 +HETATM 56534 C C13 . CLA VF 23 . ? 45.330 17.806 0.294 1.00 79.06 ? 608 CLA b C13 1 +HETATM 56535 C C14 . CLA VF 23 . ? 46.793 18.112 0.593 1.00 95.07 ? 608 CLA b C14 1 +HETATM 56536 C C15 . CLA VF 23 . ? 44.608 19.025 -0.254 1.00 74.83 ? 608 CLA b C15 1 +HETATM 56537 C C16 . CLA VF 23 . ? 44.598 18.973 -1.773 1.00 79.74 ? 608 CLA b C16 1 +HETATM 56538 C C17 . CLA VF 23 . ? 43.307 19.582 -2.306 1.00 84.13 ? 608 CLA b C17 1 +HETATM 56539 C C18 . CLA VF 23 . ? 43.278 19.545 -3.825 1.00 80.75 ? 608 CLA b C18 1 +HETATM 56540 C C19 . CLA VF 23 . ? 44.052 20.723 -4.399 1.00 75.45 ? 608 CLA b C19 1 +HETATM 56541 C C20 . CLA VF 23 . ? 41.841 19.505 -4.333 1.00 84.96 ? 608 CLA b C20 1 +HETATM 56542 MG MG . CLA WF 23 . ? 57.075 1.597 -0.936 1.00 64.27 ? 609 CLA b MG 1 +HETATM 56543 C CHA . CLA WF 23 . ? 57.198 1.090 2.500 1.00 66.24 ? 609 CLA b CHA 1 +HETATM 56544 C CHB . CLA WF 23 . ? 53.948 0.272 -0.914 1.00 65.74 ? 609 CLA b CHB 1 +HETATM 56545 C CHC . CLA WF 23 . ? 56.735 2.743 -4.129 1.00 66.63 ? 609 CLA b CHC 1 +HETATM 56546 C CHD . CLA WF 23 . ? 60.172 3.606 -0.624 1.00 65.34 ? 609 CLA b CHD 1 +HETATM 56547 N NA . CLA WF 23 . ? 55.768 0.868 0.531 1.00 68.22 ? 609 CLA b NA 1 +HETATM 56548 C C1A . CLA WF 23 . ? 55.984 0.577 1.769 1.00 65.48 ? 609 CLA b C1A 1 +HETATM 56549 C C2A . CLA WF 23 . ? 54.956 -0.283 2.477 1.00 55.72 ? 609 CLA b C2A 1 +HETATM 56550 C C3A . CLA WF 23 . ? 53.968 -0.539 1.344 1.00 70.52 ? 609 CLA b C3A 1 +HETATM 56551 C C4A . CLA WF 23 . ? 54.601 0.264 0.256 1.00 61.58 ? 609 CLA b C4A 1 +HETATM 56552 C CMA . CLA WF 23 . ? 54.065 -2.005 0.908 1.00 55.84 ? 609 CLA b CMA 1 +HETATM 56553 C CAA . CLA WF 23 . ? 54.195 0.460 3.592 1.00 55.17 ? 609 CLA b CAA 1 +HETATM 56554 C CBA . CLA WF 23 . ? 53.522 1.736 3.069 1.00 49.63 ? 609 CLA b CBA 1 +HETATM 56555 C CGA . CLA WF 23 . ? 52.798 2.542 4.119 1.00 51.63 ? 609 CLA b CGA 1 +HETATM 56556 O O1A . CLA WF 23 . ? 52.927 2.354 5.309 1.00 65.55 ? 609 CLA b O1A 1 +HETATM 56557 O O2A . CLA WF 23 . ? 51.930 3.614 3.727 1.00 57.69 ? 609 CLA b O2A 1 +HETATM 56558 N NB . CLA WF 23 . ? 55.568 1.511 -2.326 1.00 70.10 ? 609 CLA b NB 1 +HETATM 56559 C C1B . CLA WF 23 . ? 54.362 0.954 -2.160 1.00 63.39 ? 609 CLA b C1B 1 +HETATM 56560 C C2B . CLA WF 23 . ? 53.454 1.084 -3.330 1.00 72.55 ? 609 CLA b C2B 1 +HETATM 56561 C C3B . CLA WF 23 . ? 54.287 1.824 -4.301 1.00 65.69 ? 609 CLA b C3B 1 +HETATM 56562 C C4B . CLA WF 23 . ? 55.573 2.036 -3.563 1.00 60.26 ? 609 CLA b C4B 1 +HETATM 56563 C CMB . CLA WF 23 . ? 52.049 0.590 -3.496 1.00 61.40 ? 609 CLA b CMB 1 +HETATM 56564 C CAB . CLA WF 23 . ? 53.883 2.234 -5.674 1.00 52.59 ? 609 CLA b CAB 1 +HETATM 56565 C CBB . CLA WF 23 . ? 54.730 2.230 -6.673 1.00 73.39 ? 609 CLA b CBB 1 +HETATM 56566 N NC . CLA WF 23 . ? 58.209 2.890 -2.099 1.00 64.22 ? 609 CLA b NC 1 +HETATM 56567 C C1C . CLA WF 23 . ? 57.919 3.195 -3.369 1.00 62.53 ? 609 CLA b C1C 1 +HETATM 56568 C C2C . CLA WF 23 . ? 58.928 4.054 -4.045 1.00 63.20 ? 609 CLA b C2C 1 +HETATM 56569 C C3C . CLA WF 23 . ? 59.933 4.305 -3.005 1.00 73.04 ? 609 CLA b C3C 1 +HETATM 56570 C C4C . CLA WF 23 . ? 59.382 3.543 -1.867 1.00 67.24 ? 609 CLA b C4C 1 +HETATM 56571 C CMC . CLA WF 23 . ? 58.928 4.572 -5.444 1.00 58.58 ? 609 CLA b CMC 1 +HETATM 56572 C CAC . CLA WF 23 . ? 61.212 5.108 -3.086 1.00 71.53 ? 609 CLA b CAC 1 +HETATM 56573 C CBC . CLA WF 23 . ? 62.282 4.080 -3.418 1.00 68.61 ? 609 CLA b CBC 1 +HETATM 56574 N ND . CLA WF 23 . ? 58.366 2.288 0.496 1.00 69.90 ? 609 CLA b ND 1 +HETATM 56575 C C1D . CLA WF 23 . ? 59.604 3.001 0.583 1.00 64.57 ? 609 CLA b C1D 1 +HETATM 56576 C C2D . CLA WF 23 . ? 60.236 3.041 1.928 1.00 70.60 ? 609 CLA b C2D 1 +HETATM 56577 C C3D . CLA WF 23 . ? 59.236 2.258 2.695 1.00 66.21 ? 609 CLA b C3D 1 +HETATM 56578 C C4D . CLA WF 23 . ? 58.223 1.902 1.818 1.00 65.22 ? 609 CLA b C4D 1 +HETATM 56579 C CMD . CLA WF 23 . ? 61.488 3.632 2.507 1.00 66.79 ? 609 CLA b CMD 1 +HETATM 56580 C CAD . CLA WF 23 . ? 58.877 1.723 4.033 1.00 77.73 ? 609 CLA b CAD 1 +HETATM 56581 O OBD . CLA WF 23 . ? 59.598 1.866 5.095 1.00 68.75 ? 609 CLA b OBD 1 +HETATM 56582 C CBD . CLA WF 23 . ? 57.605 0.953 3.924 1.00 55.20 ? 609 CLA b CBD 1 +HETATM 56583 C CGD . CLA WF 23 . ? 58.030 -0.474 4.042 1.00 56.69 ? 609 CLA b CGD 1 +HETATM 56584 O O1D . CLA WF 23 . ? 57.480 -1.256 4.806 1.00 72.03 ? 609 CLA b O1D 1 +HETATM 56585 O O2D . CLA WF 23 . ? 59.126 -0.972 3.228 1.00 67.73 ? 609 CLA b O2D 1 +HETATM 56586 C CED . CLA WF 23 . ? 59.515 -2.340 3.383 1.00 58.94 ? 609 CLA b CED 1 +HETATM 56587 C C1 . CLA WF 23 . ? 51.021 4.175 4.672 1.00 58.78 ? 609 CLA b C1 1 +HETATM 56588 C C2 . CLA WF 23 . ? 49.898 4.821 3.905 1.00 62.10 ? 609 CLA b C2 1 +HETATM 56589 C C3 . CLA WF 23 . ? 48.635 4.538 4.226 1.00 55.72 ? 609 CLA b C3 1 +HETATM 56590 C C4 . CLA WF 23 . ? 48.356 3.571 5.319 1.00 50.94 ? 609 CLA b C4 1 +HETATM 56591 C C5 . CLA WF 23 . ? 47.480 5.149 3.475 1.00 61.96 ? 609 CLA b C5 1 +HETATM 56592 C C6 . CLA WF 23 . ? 47.808 6.399 2.675 1.00 52.23 ? 609 CLA b C6 1 +HETATM 56593 C C7 . CLA WF 23 . ? 46.484 7.022 2.225 1.00 58.17 ? 609 CLA b C7 1 +HETATM 56594 C C8 . CLA WF 23 . ? 46.602 8.288 1.374 1.00 60.39 ? 609 CLA b C8 1 +HETATM 56595 C C9 . CLA WF 23 . ? 47.329 9.394 2.132 1.00 73.24 ? 609 CLA b C9 1 +HETATM 56596 C C10 . CLA WF 23 . ? 45.178 8.717 1.042 1.00 55.93 ? 609 CLA b C10 1 +HETATM 56597 C C11 . CLA WF 23 . ? 45.084 9.962 0.166 1.00 71.48 ? 609 CLA b C11 1 +HETATM 56598 C C12 . CLA WF 23 . ? 43.641 10.454 0.177 1.00 58.66 ? 609 CLA b C12 1 +HETATM 56599 C C13 . CLA WF 23 . ? 43.487 11.853 -0.400 1.00 69.44 ? 609 CLA b C13 1 +HETATM 56600 C C14 . CLA WF 23 . ? 42.015 12.227 -0.520 1.00 66.12 ? 609 CLA b C14 1 +HETATM 56601 C C15 . CLA WF 23 . ? 44.161 11.977 -1.758 1.00 68.18 ? 609 CLA b C15 1 +HETATM 56602 C C16 . CLA WF 23 . ? 44.324 13.455 -2.098 1.00 73.21 ? 609 CLA b C16 1 +HETATM 56603 C C17 . CLA WF 23 . ? 45.085 13.617 -3.408 1.00 90.38 ? 609 CLA b C17 1 +HETATM 56604 C C18 . CLA WF 23 . ? 45.224 15.083 -3.808 1.00 87.73 ? 609 CLA b C18 1 +HETATM 56605 C C19 . CLA WF 23 . ? 43.865 15.725 -4.075 1.00 81.69 ? 609 CLA b C19 1 +HETATM 56606 C C20 . CLA WF 23 . ? 46.128 15.221 -5.029 1.00 79.27 ? 609 CLA b C20 1 +HETATM 56607 MG MG . CLA XF 23 . ? 49.721 -3.221 -2.075 1.00 56.74 ? 610 CLA b MG 1 +HETATM 56608 C CHA . CLA XF 23 . ? 49.849 -4.924 -5.085 1.00 47.62 ? 610 CLA b CHA 1 +HETATM 56609 C CHB . CLA XF 23 . ? 48.791 -0.431 -3.801 1.00 50.28 ? 610 CLA b CHB 1 +HETATM 56610 C CHC . CLA XF 23 . ? 50.062 -1.521 0.844 1.00 55.87 ? 610 CLA b CHC 1 +HETATM 56611 C CHD . CLA XF 23 . ? 51.300 -6.169 -0.467 1.00 57.05 ? 610 CLA b CHD 1 +HETATM 56612 N NA . CLA XF 23 . ? 49.418 -2.749 -4.081 1.00 60.38 ? 610 CLA b NA 1 +HETATM 56613 C C1A . CLA XF 23 . ? 49.381 -3.511 -5.119 1.00 56.71 ? 610 CLA b C1A 1 +HETATM 56614 C C2A . CLA XF 23 . ? 48.879 -2.906 -6.410 1.00 49.44 ? 610 CLA b C2A 1 +HETATM 56615 C C3A . CLA XF 23 . ? 48.626 -1.485 -5.973 1.00 49.54 ? 610 CLA b C3A 1 +HETATM 56616 C C4A . CLA XF 23 . ? 48.959 -1.562 -4.520 1.00 52.56 ? 610 CLA b C4A 1 +HETATM 56617 C CMA . CLA XF 23 . ? 49.750 -0.661 -6.581 1.00 54.65 ? 610 CLA b CMA 1 +HETATM 56618 C CAA . CLA XF 23 . ? 47.497 -3.463 -6.750 1.00 53.71 ? 610 CLA b CAA 1 +HETATM 56619 C CBA . CLA XF 23 . ? 46.907 -2.886 -8.037 1.00 56.35 ? 610 CLA b CBA 1 +HETATM 56620 C CGA . CLA XF 23 . ? 47.093 -3.957 -9.082 1.00 53.51 ? 610 CLA b CGA 1 +HETATM 56621 O O1A . CLA XF 23 . ? 47.059 -5.120 -8.772 1.00 70.45 ? 610 CLA b O1A 1 +HETATM 56622 O O2A . CLA XF 23 . ? 47.342 -3.707 -10.459 1.00 67.71 ? 610 CLA b O2A 1 +HETATM 56623 N NB . CLA XF 23 . ? 49.448 -1.257 -1.559 1.00 57.42 ? 610 CLA b NB 1 +HETATM 56624 C C1B . CLA XF 23 . ? 49.102 -0.246 -2.364 1.00 52.70 ? 610 CLA b C1B 1 +HETATM 56625 C C2B . CLA XF 23 . ? 49.076 1.087 -1.696 1.00 58.32 ? 610 CLA b C2B 1 +HETATM 56626 C C3B . CLA XF 23 . ? 49.463 0.748 -0.304 1.00 60.99 ? 610 CLA b C3B 1 +HETATM 56627 C C4B . CLA XF 23 . ? 49.662 -0.731 -0.340 1.00 57.68 ? 610 CLA b C4B 1 +HETATM 56628 C CMB . CLA XF 23 . ? 48.737 2.443 -2.263 1.00 54.04 ? 610 CLA b CMB 1 +HETATM 56629 C CAB . CLA XF 23 . ? 49.611 1.687 0.847 1.00 64.57 ? 610 CLA b CAB 1 +HETATM 56630 C CBB . CLA XF 23 . ? 49.116 1.429 2.045 1.00 70.94 ? 610 CLA b CBB 1 +HETATM 56631 N NC . CLA XF 23 . ? 50.524 -3.749 -0.230 1.00 57.33 ? 610 CLA b NC 1 +HETATM 56632 C C1C . CLA XF 23 . ? 50.544 -2.920 0.834 1.00 52.72 ? 610 CLA b C1C 1 +HETATM 56633 C C2C . CLA XF 23 . ? 51.119 -3.512 2.078 1.00 57.13 ? 610 CLA b C2C 1 +HETATM 56634 C C3C . CLA XF 23 . ? 51.483 -4.887 1.679 1.00 62.96 ? 610 CLA b C3C 1 +HETATM 56635 C C4C . CLA XF 23 . ? 51.064 -4.902 0.248 1.00 60.47 ? 610 CLA b C4C 1 +HETATM 56636 C CMC . CLA XF 23 . ? 51.296 -2.873 3.433 1.00 64.30 ? 610 CLA b CMC 1 +HETATM 56637 C CAC . CLA XF 23 . ? 52.141 -6.012 2.477 1.00 54.22 ? 610 CLA b CAC 1 +HETATM 56638 C CBC . CLA XF 23 . ? 51.103 -6.674 3.349 1.00 68.67 ? 610 CLA b CBC 1 +HETATM 56639 N ND . CLA XF 23 . ? 50.445 -5.054 -2.544 1.00 52.33 ? 610 CLA b ND 1 +HETATM 56640 C C1D . CLA XF 23 . ? 50.994 -6.203 -1.895 1.00 55.06 ? 610 CLA b C1D 1 +HETATM 56641 C C2D . CLA XF 23 . ? 51.223 -7.382 -2.748 1.00 55.73 ? 610 CLA b C2D 1 +HETATM 56642 C C3D . CLA XF 23 . ? 50.751 -6.835 -4.050 1.00 46.86 ? 610 CLA b C3D 1 +HETATM 56643 C C4D . CLA XF 23 . ? 50.333 -5.534 -3.831 1.00 52.45 ? 610 CLA b C4D 1 +HETATM 56644 C CMD . CLA XF 23 . ? 51.756 -8.770 -2.515 1.00 53.10 ? 610 CLA b CMD 1 +HETATM 56645 C CAD . CLA XF 23 . ? 50.530 -7.135 -5.488 1.00 52.99 ? 610 CLA b CAD 1 +HETATM 56646 O OBD . CLA XF 23 . ? 50.814 -8.247 -6.057 1.00 65.13 ? 610 CLA b OBD 1 +HETATM 56647 C CBD . CLA XF 23 . ? 49.977 -5.938 -6.171 1.00 55.29 ? 610 CLA b CBD 1 +HETATM 56648 C CGD . CLA XF 23 . ? 50.999 -5.527 -7.181 1.00 63.51 ? 610 CLA b CGD 1 +HETATM 56649 O O1D . CLA XF 23 . ? 50.777 -5.631 -8.377 1.00 67.86 ? 610 CLA b O1D 1 +HETATM 56650 O O2D . CLA XF 23 . ? 52.288 -5.014 -6.769 1.00 61.88 ? 610 CLA b O2D 1 +HETATM 56651 C CED . CLA XF 23 . ? 53.086 -4.402 -7.782 1.00 66.67 ? 610 CLA b CED 1 +HETATM 56652 C C1 . CLA XF 23 . ? 47.626 -4.867 -11.238 1.00 59.28 ? 610 CLA b C1 1 +HETATM 56653 C C2 . CLA XF 23 . ? 49.078 -4.926 -11.647 1.00 50.33 ? 610 CLA b C2 1 +HETATM 56654 C C3 . CLA XF 23 . ? 49.358 -4.907 -12.953 1.00 69.60 ? 610 CLA b C3 1 +HETATM 56655 C C4 . CLA XF 23 . ? 48.213 -4.819 -13.921 1.00 61.17 ? 610 CLA b C4 1 +HETATM 56656 C C5 . CLA XF 23 . ? 50.784 -4.974 -13.469 1.00 61.86 ? 610 CLA b C5 1 +HETATM 56657 C C6 . CLA XF 23 . ? 51.216 -6.348 -13.991 1.00 56.11 ? 610 CLA b C6 1 +HETATM 56658 C C7 . CLA XF 23 . ? 50.898 -7.502 -13.039 1.00 62.74 ? 610 CLA b C7 1 +HETATM 56659 C C8 . CLA XF 23 . ? 51.837 -7.568 -11.824 1.00 63.06 ? 610 CLA b C8 1 +HETATM 56660 C C9 . CLA XF 23 . ? 53.292 -7.750 -12.247 1.00 60.47 ? 610 CLA b C9 1 +HETATM 56661 C C10 . CLA XF 23 . ? 51.466 -8.716 -10.895 1.00 55.55 ? 610 CLA b C10 1 +HETATM 56662 C C11 . CLA XF 23 . ? 50.059 -8.603 -10.345 1.00 58.35 ? 610 CLA b C11 1 +HETATM 56663 C C12 . CLA XF 23 . ? 49.912 -9.421 -9.060 1.00 58.64 ? 610 CLA b C12 1 +HETATM 56664 C C13 . CLA XF 23 . ? 48.438 -9.542 -8.698 1.00 64.41 ? 610 CLA b C13 1 +HETATM 56665 C C14 . CLA XF 23 . ? 47.697 -8.244 -9.009 1.00 56.97 ? 610 CLA b C14 1 +HETATM 56666 C C15 . CLA XF 23 . ? 48.227 -9.865 -7.229 1.00 63.42 ? 610 CLA b C15 1 +HETATM 56667 C C16 . CLA XF 23 . ? 48.634 -11.252 -6.766 1.00 57.99 ? 610 CLA b C16 1 +HETATM 56668 C C17 . CLA XF 23 . ? 47.754 -11.692 -5.581 1.00 63.90 ? 610 CLA b C17 1 +HETATM 56669 C C18 . CLA XF 23 . ? 48.358 -11.375 -4.216 1.00 59.27 ? 610 CLA b C18 1 +HETATM 56670 C C19 . CLA XF 23 . ? 47.772 -12.242 -3.114 1.00 67.55 ? 610 CLA b C19 1 +HETATM 56671 C C20 . CLA XF 23 . ? 48.155 -9.917 -3.837 1.00 71.75 ? 610 CLA b C20 1 +HETATM 56672 MG MG . CLA YF 23 . ? 34.581 -8.006 -1.101 1.00 49.63 ? 611 CLA b MG 1 +HETATM 56673 C CHA . CLA YF 23 . ? 33.001 -10.067 1.213 1.00 42.61 ? 611 CLA b CHA 1 +HETATM 56674 C CHB . CLA YF 23 . ? 36.590 -10.605 -1.906 1.00 46.02 ? 611 CLA b CHB 1 +HETATM 56675 C CHC . CLA YF 23 . ? 35.594 -6.210 -3.871 1.00 45.24 ? 611 CLA b CHC 1 +HETATM 56676 C CHD . CLA YF 23 . ? 31.894 -5.585 -0.608 1.00 45.17 ? 611 CLA b CHD 1 +HETATM 56677 N NA . CLA YF 23 . ? 34.743 -9.994 -0.487 1.00 48.22 ? 611 CLA b NA 1 +HETATM 56678 C C1A . CLA YF 23 . ? 34.167 -10.623 0.468 1.00 43.37 ? 611 CLA b C1A 1 +HETATM 56679 C C2A . CLA YF 23 . ? 34.688 -11.997 0.813 1.00 50.42 ? 611 CLA b C2A 1 +HETATM 56680 C C3A . CLA YF 23 . ? 35.853 -12.117 -0.168 1.00 54.10 ? 611 CLA b C3A 1 +HETATM 56681 C C4A . CLA YF 23 . ? 35.716 -10.815 -0.906 1.00 54.90 ? 611 CLA b C4A 1 +HETATM 56682 C CMA . CLA YF 23 . ? 37.168 -12.066 0.609 1.00 51.46 ? 611 CLA b CMA 1 +HETATM 56683 C CAA . CLA YF 23 . ? 33.643 -13.084 0.458 1.00 44.68 ? 611 CLA b CAA 1 +HETATM 56684 C CBA . CLA YF 23 . ? 33.146 -12.942 -0.985 1.00 43.27 ? 611 CLA b CBA 1 +HETATM 56685 C CGA . CLA YF 23 . ? 32.007 -13.879 -1.349 1.00 56.24 ? 611 CLA b CGA 1 +HETATM 56686 O O1A . CLA YF 23 . ? 31.967 -15.046 -0.982 1.00 52.52 ? 611 CLA b O1A 1 +HETATM 56687 O O2A . CLA YF 23 . ? 30.909 -13.404 -2.185 1.00 56.85 ? 611 CLA b O2A 1 +HETATM 56688 N NB . CLA YF 23 . ? 35.858 -8.376 -2.658 1.00 47.87 ? 611 CLA b NB 1 +HETATM 56689 C C1B . CLA YF 23 . ? 36.683 -9.422 -2.783 1.00 49.58 ? 611 CLA b C1B 1 +HETATM 56690 C C2B . CLA YF 23 . ? 37.684 -9.313 -3.894 1.00 50.72 ? 611 CLA b C2B 1 +HETATM 56691 C C3B . CLA YF 23 . ? 37.352 -7.982 -4.454 1.00 45.48 ? 611 CLA b C3B 1 +HETATM 56692 C C4B . CLA YF 23 . ? 36.222 -7.517 -3.615 1.00 46.32 ? 611 CLA b C4B 1 +HETATM 56693 C CMB . CLA YF 23 . ? 38.746 -10.297 -4.317 1.00 53.39 ? 611 CLA b CMB 1 +HETATM 56694 C CAB . CLA YF 23 . ? 37.936 -7.206 -5.580 1.00 51.75 ? 611 CLA b CAB 1 +HETATM 56695 C CBB . CLA YF 23 . ? 39.166 -7.419 -6.001 1.00 52.49 ? 611 CLA b CBB 1 +HETATM 56696 N NC . CLA YF 23 . ? 33.897 -6.283 -2.008 1.00 47.36 ? 611 CLA b NC 1 +HETATM 56697 C C1C . CLA YF 23 . ? 34.417 -5.734 -3.126 1.00 44.24 ? 611 CLA b C1C 1 +HETATM 56698 C C2C . CLA YF 23 . ? 33.720 -4.518 -3.631 1.00 45.09 ? 611 CLA b C2C 1 +HETATM 56699 C C3C . CLA YF 23 . ? 32.633 -4.342 -2.655 1.00 44.44 ? 611 CLA b C3C 1 +HETATM 56700 C C4C . CLA YF 23 . ? 32.851 -5.482 -1.718 1.00 49.13 ? 611 CLA b C4C 1 +HETATM 56701 C CMC . CLA YF 23 . ? 34.056 -3.668 -4.832 1.00 46.38 ? 611 CLA b CMC 1 +HETATM 56702 C CAC . CLA YF 23 . ? 31.554 -3.292 -2.591 1.00 50.72 ? 611 CLA b CAC 1 +HETATM 56703 C CBC . CLA YF 23 . ? 30.447 -3.760 -3.505 1.00 55.79 ? 611 CLA b CBC 1 +HETATM 56704 N ND . CLA YF 23 . ? 32.851 -7.813 -0.066 1.00 43.62 ? 611 CLA b ND 1 +HETATM 56705 C C1D . CLA YF 23 . ? 31.865 -6.807 0.178 1.00 48.04 ? 611 CLA b C1D 1 +HETATM 56706 C C2D . CLA YF 23 . ? 30.896 -7.073 1.266 1.00 54.19 ? 611 CLA b C2D 1 +HETATM 56707 C C3D . CLA YF 23 . ? 31.386 -8.415 1.670 1.00 44.14 ? 611 CLA b C3D 1 +HETATM 56708 C C4D . CLA YF 23 . ? 32.469 -8.740 0.864 1.00 41.28 ? 611 CLA b C4D 1 +HETATM 56709 C CMD . CLA YF 23 . ? 29.733 -6.332 1.891 1.00 51.75 ? 611 CLA b CMD 1 +HETATM 56710 C CAD . CLA YF 23 . ? 31.161 -9.554 2.583 1.00 42.07 ? 611 CLA b CAD 1 +HETATM 56711 O OBD . CLA YF 23 . ? 30.239 -9.569 3.460 1.00 57.09 ? 611 CLA b OBD 1 +HETATM 56712 C CBD . CLA YF 23 . ? 32.160 -10.622 2.320 1.00 45.72 ? 611 CLA b CBD 1 +HETATM 56713 C CGD . CLA YF 23 . ? 32.976 -10.845 3.551 1.00 54.44 ? 611 CLA b CGD 1 +HETATM 56714 O O1D . CLA YF 23 . ? 33.736 -9.985 3.956 1.00 55.60 ? 611 CLA b O1D 1 +HETATM 56715 O O2D . CLA YF 23 . ? 32.906 -12.081 4.294 1.00 56.83 ? 611 CLA b O2D 1 +HETATM 56716 C CED . CLA YF 23 . ? 33.798 -12.242 5.396 1.00 54.28 ? 611 CLA b CED 1 +HETATM 56717 C C1 . CLA YF 23 . ? 29.923 -14.320 -2.674 1.00 47.16 ? 611 CLA b C1 1 +HETATM 56718 C C2 . CLA YF 23 . ? 29.059 -13.627 -3.717 1.00 55.79 ? 611 CLA b C2 1 +HETATM 56719 C C3 . CLA YF 23 . ? 28.161 -14.334 -4.433 1.00 54.39 ? 611 CLA b C3 1 +HETATM 56720 C C4 . CLA YF 23 . ? 28.023 -15.815 -4.234 1.00 49.23 ? 611 CLA b C4 1 +HETATM 56721 C C5 . CLA YF 23 . ? 27.284 -13.671 -5.468 1.00 59.10 ? 611 CLA b C5 1 +HETATM 56722 C C6 . CLA YF 23 . ? 27.377 -12.151 -5.522 1.00 49.52 ? 611 CLA b C6 1 +HETATM 56723 C C7 . CLA YF 23 . ? 26.914 -11.727 -6.906 1.00 55.22 ? 611 CLA b C7 1 +HETATM 56724 C C8 . CLA YF 23 . ? 26.948 -10.208 -7.077 1.00 64.49 ? 611 CLA b C8 1 +HETATM 56725 C C9 . CLA YF 23 . ? 26.091 -9.524 -6.023 1.00 75.42 ? 611 CLA b C9 1 +HETATM 56726 C C10 . CLA YF 23 . ? 26.488 -9.819 -8.476 1.00 64.31 ? 611 CLA b C10 1 +HETATM 56727 C C11 . CLA YF 23 . ? 27.322 -10.506 -9.557 1.00 64.50 ? 611 CLA b C11 1 +HETATM 56728 C C12 . CLA YF 23 . ? 28.409 -9.621 -10.160 1.00 72.59 ? 611 CLA b C12 1 +HETATM 56729 C C13 . CLA YF 23 . ? 28.920 -10.213 -11.472 1.00 65.36 ? 611 CLA b C13 1 +HETATM 56730 C C14 . CLA YF 23 . ? 29.643 -11.527 -11.235 1.00 78.25 ? 611 CLA b C14 1 +HETATM 56731 C C15 . CLA YF 23 . ? 29.805 -9.231 -12.228 1.00 66.36 ? 611 CLA b C15 1 +HETATM 56732 C C16 . CLA YF 23 . ? 31.047 -8.792 -11.460 1.00 70.17 ? 611 CLA b C16 1 +HETATM 56733 C C17 . CLA YF 23 . ? 32.180 -8.383 -12.398 1.00 71.28 ? 611 CLA b C17 1 +HETATM 56734 C C18 . CLA YF 23 . ? 32.491 -6.891 -12.365 1.00 75.27 ? 611 CLA b C18 1 +HETATM 56735 C C19 . CLA YF 23 . ? 32.935 -6.434 -10.980 1.00 65.87 ? 611 CLA b C19 1 +HETATM 56736 C C20 . CLA YF 23 . ? 31.308 -6.071 -12.872 1.00 81.43 ? 611 CLA b C20 1 +HETATM 56737 MG MG . CLA ZF 23 . ? 41.205 -12.303 -5.183 1.00 55.21 ? 612 CLA b MG 1 +HETATM 56738 C CHA . CLA ZF 23 . ? 42.988 -9.473 -6.348 1.00 47.27 ? 612 CLA b CHA 1 +HETATM 56739 C CHB . CLA ZF 23 . ? 39.577 -12.376 -8.130 1.00 46.72 ? 612 CLA b CHB 1 +HETATM 56740 C CHC . CLA ZF 23 . ? 38.970 -14.404 -3.701 1.00 46.50 ? 612 CLA b CHC 1 +HETATM 56741 C CHD . CLA ZF 23 . ? 42.709 -11.701 -1.893 1.00 54.48 ? 612 CLA b CHD 1 +HETATM 56742 N NA . CLA ZF 23 . ? 41.221 -11.115 -6.894 1.00 54.39 ? 612 CLA b NA 1 +HETATM 56743 C C1A . CLA ZF 23 . ? 42.003 -10.149 -7.253 1.00 49.43 ? 612 CLA b C1A 1 +HETATM 56744 C C2A . CLA ZF 23 . ? 41.921 -9.684 -8.671 1.00 50.95 ? 612 CLA b C2A 1 +HETATM 56745 C C3A . CLA ZF 23 . ? 40.804 -10.555 -9.195 1.00 53.63 ? 612 CLA b C3A 1 +HETATM 56746 C C4A . CLA ZF 23 . ? 40.505 -11.403 -7.994 1.00 50.66 ? 612 CLA b C4A 1 +HETATM 56747 C CMA . CLA ZF 23 . ? 39.629 -9.605 -9.441 1.00 41.01 ? 612 CLA b CMA 1 +HETATM 56748 C CAA . CLA ZF 23 . ? 43.214 -10.053 -9.419 1.00 50.26 ? 612 CLA b CAA 1 +HETATM 56749 C CBA . CLA ZF 23 . ? 43.560 -11.539 -9.312 1.00 52.06 ? 612 CLA b CBA 1 +HETATM 56750 C CGA . CLA ZF 23 . ? 44.862 -11.853 -10.025 1.00 54.72 ? 612 CLA b CGA 1 +HETATM 56751 O O1A . CLA ZF 23 . ? 45.924 -11.991 -9.443 1.00 60.27 ? 612 CLA b O1A 1 +HETATM 56752 O O2A . CLA ZF 23 . ? 44.912 -12.009 -11.447 1.00 53.75 ? 612 CLA b O2A 1 +HETATM 56753 N NB . CLA ZF 23 . ? 39.498 -13.229 -5.829 1.00 51.40 ? 612 CLA b NB 1 +HETATM 56754 C C1B . CLA ZF 23 . ? 39.066 -13.299 -7.088 1.00 51.47 ? 612 CLA b C1B 1 +HETATM 56755 C C2B . CLA ZF 23 . ? 38.015 -14.345 -7.323 1.00 50.97 ? 612 CLA b C2B 1 +HETATM 56756 C C3B . CLA ZF 23 . ? 37.849 -14.935 -5.971 1.00 45.61 ? 612 CLA b C3B 1 +HETATM 56757 C C4B . CLA ZF 23 . ? 38.810 -14.148 -5.145 1.00 49.00 ? 612 CLA b C4B 1 +HETATM 56758 C CMB . CLA ZF 23 . ? 37.310 -14.680 -8.602 1.00 44.60 ? 612 CLA b CMB 1 +HETATM 56759 C CAB . CLA ZF 23 . ? 36.978 -16.028 -5.427 1.00 49.04 ? 612 CLA b CAB 1 +HETATM 56760 C CBB . CLA ZF 23 . ? 36.326 -16.904 -6.174 1.00 51.40 ? 612 CLA b CBB 1 +HETATM 56761 N NC . CLA ZF 23 . ? 40.907 -12.895 -3.225 1.00 53.76 ? 612 CLA b NC 1 +HETATM 56762 C C1C . CLA ZF 23 . ? 39.960 -13.761 -2.822 1.00 51.38 ? 612 CLA b C1C 1 +HETATM 56763 C C2C . CLA ZF 23 . ? 39.973 -14.075 -1.357 1.00 50.03 ? 612 CLA b C2C 1 +HETATM 56764 C C3C . CLA ZF 23 . ? 41.082 -13.251 -0.841 1.00 56.57 ? 612 CLA b C3C 1 +HETATM 56765 C C4C . CLA ZF 23 . ? 41.569 -12.596 -2.076 1.00 52.64 ? 612 CLA b C4C 1 +HETATM 56766 C CMC . CLA ZF 23 . ? 39.100 -14.987 -0.530 1.00 49.63 ? 612 CLA b CMC 1 +HETATM 56767 C CAC . CLA ZF 23 . ? 41.614 -13.163 0.589 1.00 57.40 ? 612 CLA b CAC 1 +HETATM 56768 C CBC . CLA ZF 23 . ? 40.951 -12.016 1.340 1.00 50.65 ? 612 CLA b CBC 1 +HETATM 56769 N ND . CLA ZF 23 . ? 42.449 -10.969 -4.267 1.00 65.38 ? 612 CLA b ND 1 +HETATM 56770 C C1D . CLA ZF 23 . ? 43.079 -10.828 -2.993 1.00 49.25 ? 612 CLA b C1D 1 +HETATM 56771 C C2D . CLA ZF 23 . ? 44.095 -9.768 -2.889 1.00 58.37 ? 612 CLA b C2D 1 +HETATM 56772 C C3D . CLA ZF 23 . ? 44.042 -9.216 -4.266 1.00 49.22 ? 612 CLA b C3D 1 +HETATM 56773 C C4D . CLA ZF 23 . ? 43.095 -9.949 -4.965 1.00 47.48 ? 612 CLA b C4D 1 +HETATM 56774 C CMD . CLA ZF 23 . ? 44.987 -9.283 -1.795 1.00 56.31 ? 612 CLA b CMD 1 +HETATM 56775 C CAD . CLA ZF 23 . ? 44.608 -8.204 -5.187 1.00 59.24 ? 612 CLA b CAD 1 +HETATM 56776 O OBD . CLA ZF 23 . ? 45.518 -7.366 -4.824 1.00 54.88 ? 612 CLA b OBD 1 +HETATM 56777 C CBD . CLA ZF 23 . ? 43.965 -8.347 -6.540 1.00 48.64 ? 612 CLA b CBD 1 +HETATM 56778 C CGD . CLA ZF 23 . ? 43.348 -7.046 -6.988 1.00 53.92 ? 612 CLA b CGD 1 +HETATM 56779 O O1D . CLA ZF 23 . ? 43.715 -6.431 -7.981 1.00 56.80 ? 612 CLA b O1D 1 +HETATM 56780 O O2D . CLA ZF 23 . ? 42.287 -6.459 -6.211 1.00 57.54 ? 612 CLA b O2D 1 +HETATM 56781 C CED . CLA ZF 23 . ? 41.790 -5.183 -6.605 1.00 72.91 ? 612 CLA b CED 1 +HETATM 56782 C C1 . CLA ZF 23 . ? 46.182 -11.867 -12.086 1.00 60.87 ? 612 CLA b C1 1 +HETATM 56783 C C2 . CLA ZF 23 . ? 46.404 -10.389 -12.185 1.00 57.05 ? 612 CLA b C2 1 +HETATM 56784 C C3 . CLA ZF 23 . ? 46.309 -9.776 -13.358 1.00 59.40 ? 612 CLA b C3 1 +HETATM 56785 C C4 . CLA ZF 23 . ? 46.002 -10.576 -14.591 1.00 62.22 ? 612 CLA b C4 1 +HETATM 56786 C C5 . CLA ZF 23 . ? 46.511 -8.288 -13.416 1.00 58.62 ? 612 CLA b C5 1 +HETATM 56787 C C6 . CLA ZF 23 . ? 45.228 -7.553 -13.825 1.00 65.28 ? 612 CLA b C6 1 +HETATM 56788 C C7 . CLA ZF 23 . ? 44.076 -7.870 -12.868 1.00 55.90 ? 612 CLA b C7 1 +HETATM 56789 C C8 . CLA ZF 23 . ? 42.789 -7.186 -13.316 1.00 60.18 ? 612 CLA b C8 1 +HETATM 56790 C C9 . CLA ZF 23 . ? 41.699 -7.363 -12.272 1.00 70.69 ? 612 CLA b C9 1 +HETATM 56791 C C10 . CLA ZF 23 . ? 42.317 -7.796 -14.610 1.00 54.53 ? 612 CLA b C10 1 +HETATM 56792 C C11 . CLA ZF 23 . ? 41.320 -6.893 -15.318 1.00 52.75 ? 612 CLA b C11 1 +HETATM 56793 C C12 . CLA ZF 23 . ? 42.031 -5.742 -16.025 1.00 58.51 ? 612 CLA b C12 1 +HETATM 56794 C C13 . CLA ZF 23 . ? 41.124 -4.512 -16.084 1.00 64.40 ? 612 CLA b C13 1 +HETATM 56795 C C14 . CLA ZF 23 . ? 39.932 -4.753 -17.012 1.00 58.83 ? 612 CLA b C14 1 +HETATM 56796 C C15 . CLA ZF 23 . ? 41.904 -3.278 -16.524 1.00 58.69 ? 612 CLA b C15 1 +HETATM 56797 C C16 . CLA ZF 23 . ? 43.121 -3.007 -15.654 1.00 59.88 ? 612 CLA b C16 1 +HETATM 56798 C C17 . CLA ZF 23 . ? 42.688 -2.534 -14.287 1.00 59.85 ? 612 CLA b C17 1 +HETATM 56799 C C18 . CLA ZF 23 . ? 43.889 -2.031 -13.497 1.00 76.48 ? 612 CLA b C18 1 +HETATM 56800 C C19 . CLA ZF 23 . ? 44.853 -3.157 -13.176 1.00 69.65 ? 612 CLA b C19 1 +HETATM 56801 C C20 . CLA ZF 23 . ? 43.447 -1.350 -12.209 1.00 64.63 ? 612 CLA b C20 1 +HETATM 56802 MG MG . CLA AG 23 . ? 35.861 -9.488 -12.217 1.00 45.91 ? 613 CLA b MG 1 +HETATM 56803 C CHA . CLA AG 23 . ? 33.952 -11.638 -10.256 1.00 46.41 ? 613 CLA b CHA 1 +HETATM 56804 C CHB . CLA AG 23 . ? 36.774 -7.869 -9.387 1.00 44.14 ? 613 CLA b CHB 1 +HETATM 56805 C CHC . CLA AG 23 . ? 37.106 -6.981 -14.212 1.00 46.94 ? 613 CLA b CHC 1 +HETATM 56806 C CHD . CLA AG 23 . ? 34.198 -10.876 -15.180 1.00 44.22 ? 613 CLA b CHD 1 +HETATM 56807 N NA . CLA AG 23 . ? 35.421 -9.689 -10.189 1.00 52.55 ? 613 CLA b NA 1 +HETATM 56808 C C1A . CLA AG 23 . ? 34.778 -10.610 -9.550 1.00 52.38 ? 613 CLA b C1A 1 +HETATM 56809 C C2A . CLA AG 23 . ? 34.818 -10.579 -8.035 1.00 48.63 ? 613 CLA b C2A 1 +HETATM 56810 C C3A . CLA AG 23 . ? 35.687 -9.348 -7.803 1.00 44.58 ? 613 CLA b C3A 1 +HETATM 56811 C C4A . CLA AG 23 . ? 35.980 -8.940 -9.220 1.00 48.61 ? 613 CLA b C4A 1 +HETATM 56812 C CMA . CLA AG 23 . ? 34.807 -8.249 -7.214 1.00 44.02 ? 613 CLA b CMA 1 +HETATM 56813 C CAA . CLA AG 23 . ? 35.518 -11.837 -7.483 1.00 48.62 ? 613 CLA b CAA 1 +HETATM 56814 C CBA . CLA AG 23 . ? 35.793 -11.781 -5.982 1.00 43.11 ? 613 CLA b CBA 1 +HETATM 56815 C CGA . CLA AG 23 . ? 34.524 -11.915 -5.163 1.00 47.86 ? 613 CLA b CGA 1 +HETATM 56816 O O1A . CLA AG 23 . ? 34.168 -12.960 -4.640 1.00 50.45 ? 613 CLA b O1A 1 +HETATM 56817 O O2A . CLA AG 23 . ? 33.682 -10.775 -4.908 1.00 59.32 ? 613 CLA b O2A 1 +HETATM 56818 N NB . CLA AG 23 . ? 36.764 -7.687 -11.841 1.00 46.66 ? 613 CLA b NB 1 +HETATM 56819 C C1B . CLA AG 23 . ? 37.185 -7.251 -10.661 1.00 44.89 ? 613 CLA b C1B 1 +HETATM 56820 C C2B . CLA AG 23 . ? 38.109 -6.077 -10.728 1.00 51.66 ? 613 CLA b C2B 1 +HETATM 56821 C C3B . CLA AG 23 . ? 38.185 -5.825 -12.186 1.00 49.01 ? 613 CLA b C3B 1 +HETATM 56822 C C4B . CLA AG 23 . ? 37.309 -6.881 -12.756 1.00 45.87 ? 613 CLA b C4B 1 +HETATM 56823 C CMB . CLA AG 23 . ? 38.777 -5.357 -9.603 1.00 50.11 ? 613 CLA b CMB 1 +HETATM 56824 C CAB . CLA AG 23 . ? 38.916 -4.813 -12.994 1.00 52.51 ? 613 CLA b CAB 1 +HETATM 56825 C CBB . CLA AG 23 . ? 39.695 -3.905 -12.446 1.00 50.92 ? 613 CLA b CBB 1 +HETATM 56826 N NC . CLA AG 23 . ? 35.652 -9.042 -14.238 1.00 46.31 ? 613 CLA b NC 1 +HETATM 56827 C C1C . CLA AG 23 . ? 36.275 -8.019 -14.863 1.00 54.22 ? 613 CLA b C1C 1 +HETATM 56828 C C2C . CLA AG 23 . ? 36.096 -7.958 -16.341 1.00 46.36 ? 613 CLA b C2C 1 +HETATM 56829 C C3C . CLA AG 23 . ? 35.228 -9.110 -16.613 1.00 47.46 ? 613 CLA b C3C 1 +HETATM 56830 C C4C . CLA AG 23 . ? 35.035 -9.679 -15.250 1.00 49.15 ? 613 CLA b C4C 1 +HETATM 56831 C CMC . CLA AG 23 . ? 36.660 -6.952 -17.312 1.00 53.60 ? 613 CLA b CMC 1 +HETATM 56832 C CAC . CLA AG 23 . ? 34.681 -9.636 -17.931 1.00 53.72 ? 613 CLA b CAC 1 +HETATM 56833 C CBC . CLA AG 23 . ? 33.405 -8.897 -18.274 1.00 45.92 ? 613 CLA b CBC 1 +HETATM 56834 N ND . CLA AG 23 . ? 34.415 -10.831 -12.696 1.00 52.75 ? 613 CLA b ND 1 +HETATM 56835 C C1D . CLA AG 23 . ? 33.862 -11.418 -13.878 1.00 46.34 ? 613 CLA b C1D 1 +HETATM 56836 C C2D . CLA AG 23 . ? 32.973 -12.578 -13.685 1.00 49.51 ? 613 CLA b C2D 1 +HETATM 56837 C C3D . CLA AG 23 . ? 33.028 -12.665 -12.192 1.00 45.09 ? 613 CLA b C3D 1 +HETATM 56838 C C4D . CLA AG 23 . ? 33.872 -11.655 -11.730 1.00 46.19 ? 613 CLA b C4D 1 +HETATM 56839 C CMD . CLA AG 23 . ? 32.209 -13.479 -14.617 1.00 46.09 ? 613 CLA b CMD 1 +HETATM 56840 C CAD . CLA AG 23 . ? 32.545 -13.395 -10.998 1.00 48.22 ? 613 CLA b CAD 1 +HETATM 56841 O OBD . CLA AG 23 . ? 31.754 -14.385 -11.042 1.00 49.55 ? 613 CLA b OBD 1 +HETATM 56842 C CBD . CLA AG 23 . ? 33.138 -12.790 -9.763 1.00 48.59 ? 613 CLA b CBD 1 +HETATM 56843 C CGD . CLA AG 23 . ? 32.110 -12.554 -8.704 1.00 43.91 ? 613 CLA b CGD 1 +HETATM 56844 O O1D . CLA AG 23 . ? 31.556 -11.490 -8.548 1.00 50.09 ? 613 CLA b O1D 1 +HETATM 56845 O O2D . CLA AG 23 . ? 31.759 -13.660 -7.846 1.00 50.79 ? 613 CLA b O2D 1 +HETATM 56846 C CED . CLA AG 23 . ? 30.526 -13.673 -7.124 1.00 48.59 ? 613 CLA b CED 1 +HETATM 56847 C C1 . CLA AG 23 . ? 32.376 -11.017 -4.391 1.00 52.32 ? 613 CLA b C1 1 +HETATM 56848 C C2 . CLA AG 23 . ? 31.355 -10.208 -5.168 1.00 55.31 ? 613 CLA b C2 1 +HETATM 56849 C C3 . CLA AG 23 . ? 31.243 -8.904 -4.900 1.00 57.52 ? 613 CLA b C3 1 +HETATM 56850 C C4 . CLA AG 23 . ? 32.124 -8.280 -3.856 1.00 52.49 ? 613 CLA b C4 1 +HETATM 56851 C C5 . CLA AG 23 . ? 30.243 -8.056 -5.639 1.00 66.47 ? 613 CLA b C5 1 +HETATM 56852 C C6 . CLA AG 23 . ? 30.871 -6.960 -6.497 1.00 75.46 ? 613 CLA b C6 1 +HETATM 56853 C C7 . CLA AG 23 . ? 29.791 -6.053 -7.087 1.00 69.28 ? 613 CLA b C7 1 +HETATM 56854 C C8 . CLA AG 23 . ? 30.262 -5.399 -8.389 1.00 84.33 ? 613 CLA b C8 1 +HETATM 56855 C C9 . CLA AG 23 . ? 31.453 -4.477 -8.151 1.00 62.63 ? 613 CLA b C9 1 +HETATM 56856 C C10 . CLA AG 23 . ? 29.129 -4.601 -9.018 1.00 71.50 ? 613 CLA b C10 1 +HETATM 56857 C C11 . CLA AG 23 . ? 27.808 -5.359 -9.072 1.00 77.02 ? 613 CLA b C11 1 +HETATM 56858 C C12 . CLA AG 23 . ? 26.698 -4.364 -9.405 1.00 94.07 ? 613 CLA b C12 1 +HETATM 56859 C C13 . CLA AG 23 . ? 25.402 -5.051 -9.807 1.00 88.57 ? 613 CLA b C13 1 +HETATM 56860 C C14 . CLA AG 23 . ? 24.838 -5.931 -8.696 1.00 81.71 ? 613 CLA b C14 1 +HETATM 56861 C C15 . CLA AG 23 . ? 25.670 -5.871 -11.051 1.00 86.93 ? 613 CLA b C15 1 +HETATM 56862 C C16 . CLA AG 23 . ? 24.378 -6.532 -11.501 1.00 108.39 ? 613 CLA b C16 1 +HETATM 56863 C C17 . CLA AG 23 . ? 24.618 -7.346 -12.764 1.00 96.11 ? 613 CLA b C17 1 +HETATM 56864 C C18 . CLA AG 23 . ? 23.288 -7.735 -13.386 1.00 94.47 ? 613 CLA b C18 1 +HETATM 56865 C C19 . CLA AG 23 . ? 23.524 -8.715 -14.529 1.00 87.83 ? 613 CLA b C19 1 +HETATM 56866 C C20 . CLA AG 23 . ? 22.522 -6.483 -13.822 1.00 88.06 ? 613 CLA b C20 1 +HETATM 56867 MG MG . CLA BG 23 . ? 32.013 -19.115 -6.352 1.00 49.46 ? 614 CLA b MG 1 +HETATM 56868 C CHA . CLA BG 23 . ? 31.896 -21.854 -4.200 1.00 47.92 ? 614 CLA b CHA 1 +HETATM 56869 C CHB . CLA BG 23 . ? 35.155 -20.024 -7.160 1.00 44.97 ? 614 CLA b CHB 1 +HETATM 56870 C CHC . CLA BG 23 . ? 31.798 -16.978 -9.055 1.00 46.13 ? 614 CLA b CHC 1 +HETATM 56871 C CHD . CLA BG 23 . ? 28.400 -18.706 -5.805 1.00 44.74 ? 614 CLA b CHD 1 +HETATM 56872 N NA . CLA BG 23 . ? 33.285 -20.665 -5.822 1.00 54.09 ? 614 CLA b NA 1 +HETATM 56873 C C1A . CLA BG 23 . ? 33.173 -21.553 -4.901 1.00 48.31 ? 614 CLA b C1A 1 +HETATM 56874 C C2A . CLA BG 23 . ? 34.371 -22.415 -4.641 1.00 55.80 ? 614 CLA b C2A 1 +HETATM 56875 C C3A . CLA BG 23 . ? 35.413 -21.781 -5.530 1.00 52.07 ? 614 CLA b C3A 1 +HETATM 56876 C C4A . CLA BG 23 . ? 34.561 -20.749 -6.214 1.00 49.38 ? 614 CLA b C4A 1 +HETATM 56877 C CMA . CLA BG 23 . ? 36.365 -21.065 -4.571 1.00 55.20 ? 614 CLA b CMA 1 +HETATM 56878 C CAA . CLA BG 23 . ? 34.135 -23.832 -5.189 1.00 50.25 ? 614 CLA b CAA 1 +HETATM 56879 C CBA . CLA BG 23 . ? 33.633 -23.951 -6.641 1.00 58.72 ? 614 CLA b CBA 1 +HETATM 56880 C CGA . CLA BG 23 . ? 32.119 -23.836 -6.754 1.00 57.33 ? 614 CLA b CGA 1 +HETATM 56881 O O1A . CLA BG 23 . ? 31.330 -24.496 -6.082 1.00 64.08 ? 614 CLA b O1A 1 +HETATM 56882 O O2A . CLA BG 23 . ? 31.544 -22.887 -7.660 1.00 62.50 ? 614 CLA b O2A 1 +HETATM 56883 N NB . CLA BG 23 . ? 33.292 -18.605 -7.874 1.00 44.96 ? 614 CLA b NB 1 +HETATM 56884 C C1B . CLA BG 23 . ? 34.562 -18.982 -8.015 1.00 49.65 ? 614 CLA b C1B 1 +HETATM 56885 C C2B . CLA BG 23 . ? 35.291 -18.356 -9.162 1.00 48.00 ? 614 CLA b C2B 1 +HETATM 56886 C C3B . CLA BG 23 . ? 34.260 -17.444 -9.709 1.00 44.06 ? 614 CLA b C3B 1 +HETATM 56887 C C4B . CLA BG 23 . ? 33.078 -17.687 -8.838 1.00 46.40 ? 614 CLA b C4B 1 +HETATM 56888 C CMB . CLA BG 23 . ? 36.709 -18.545 -9.620 1.00 49.52 ? 614 CLA b CMB 1 +HETATM 56889 C CAB . CLA BG 23 . ? 34.297 -16.495 -10.858 1.00 52.56 ? 614 CLA b CAB 1 +HETATM 56890 C CBB . CLA BG 23 . ? 35.336 -15.742 -11.172 1.00 47.49 ? 614 CLA b CBB 1 +HETATM 56891 N NC . CLA BG 23 . ? 30.433 -18.105 -7.235 1.00 50.48 ? 614 CLA b NC 1 +HETATM 56892 C C1C . CLA BG 23 . ? 30.556 -17.276 -8.303 1.00 46.30 ? 614 CLA b C1C 1 +HETATM 56893 C C2C . CLA BG 23 . ? 29.292 -16.606 -8.711 1.00 51.34 ? 614 CLA b C2C 1 +HETATM 56894 C C3C . CLA BG 23 . ? 28.309 -17.128 -7.743 1.00 49.82 ? 614 CLA b C3C 1 +HETATM 56895 C C4C . CLA BG 23 . ? 29.122 -18.031 -6.897 1.00 45.66 ? 614 CLA b C4C 1 +HETATM 56896 C CMC . CLA BG 23 . ? 29.032 -15.631 -9.828 1.00 50.34 ? 614 CLA b CMC 1 +HETATM 56897 C CAC . CLA BG 23 . ? 26.823 -16.841 -7.644 1.00 55.78 ? 614 CLA b CAC 1 +HETATM 56898 C CBC . CLA BG 23 . ? 26.173 -17.862 -8.575 1.00 51.17 ? 614 CLA b CBC 1 +HETATM 56899 N ND . CLA BG 23 . ? 30.492 -19.985 -5.322 1.00 43.33 ? 614 CLA b ND 1 +HETATM 56900 C C1D . CLA BG 23 . ? 29.092 -19.776 -5.095 1.00 50.90 ? 614 CLA b C1D 1 +HETATM 56901 C C2D . CLA BG 23 . ? 28.439 -20.684 -4.146 1.00 44.87 ? 614 CLA b C2D 1 +HETATM 56902 C C3D . CLA BG 23 . ? 29.616 -21.521 -3.795 1.00 51.29 ? 614 CLA b C3D 1 +HETATM 56903 C C4D . CLA BG 23 . ? 30.704 -21.063 -4.504 1.00 42.91 ? 614 CLA b C4D 1 +HETATM 56904 C CMD . CLA BG 23 . ? 27.045 -20.850 -3.597 1.00 56.37 ? 614 CLA b CMD 1 +HETATM 56905 C CAD . CLA BG 23 . ? 30.065 -22.688 -2.991 1.00 50.12 ? 614 CLA b CAD 1 +HETATM 56906 O OBD . CLA BG 23 . ? 29.297 -23.357 -2.231 1.00 52.12 ? 614 CLA b OBD 1 +HETATM 56907 C CBD . CLA BG 23 . ? 31.516 -22.926 -3.217 1.00 56.83 ? 614 CLA b CBD 1 +HETATM 56908 C CGD . CLA BG 23 . ? 32.253 -22.885 -1.886 1.00 53.73 ? 614 CLA b CGD 1 +HETATM 56909 O O1D . CLA BG 23 . ? 33.377 -23.323 -1.762 1.00 69.00 ? 614 CLA b O1D 1 +HETATM 56910 O O2D . CLA BG 23 . ? 31.643 -22.363 -0.682 1.00 59.49 ? 614 CLA b O2D 1 +HETATM 56911 C CED . CLA BG 23 . ? 32.211 -22.657 0.596 1.00 55.46 ? 614 CLA b CED 1 +HETATM 56912 C C1 . CLA BG 23 . ? 30.127 -22.809 -7.816 1.00 69.07 ? 614 CLA b C1 1 +HETATM 56913 C C2 . CLA BG 23 . ? 29.806 -22.837 -9.297 1.00 82.03 ? 614 CLA b C2 1 +HETATM 56914 C C3 . CLA BG 23 . ? 29.310 -21.749 -9.899 1.00 70.13 ? 614 CLA b C3 1 +HETATM 56915 C C4 . CLA BG 23 . ? 29.077 -20.523 -9.095 1.00 78.99 ? 614 CLA b C4 1 +HETATM 56916 C C5 . CLA BG 23 . ? 28.972 -21.732 -11.369 1.00 77.14 ? 614 CLA b C5 1 +HETATM 56917 C C6 . CLA BG 23 . ? 28.467 -20.353 -11.792 1.00 86.66 ? 614 CLA b C6 1 +HETATM 56918 C C7 . CLA BG 23 . ? 27.808 -20.396 -13.176 1.00 92.42 ? 614 CLA b C7 1 +HETATM 56919 C C8 . CLA BG 23 . ? 27.403 -18.994 -13.633 1.00 77.98 ? 614 CLA b C8 1 +HETATM 56920 C C9 . CLA BG 23 . ? 26.404 -18.359 -12.675 1.00 91.52 ? 614 CLA b C9 1 +HETATM 56921 C C10 . CLA BG 23 . ? 26.786 -19.055 -15.021 1.00 96.87 ? 614 CLA b C10 1 +HETATM 56922 C C11 . CLA BG 23 . ? 27.626 -19.944 -15.928 1.00 110.11 ? 614 CLA b C11 1 +HETATM 56923 C C12 . CLA BG 23 . ? 28.245 -19.132 -17.061 1.00 117.42 ? 614 CLA b C12 1 +HETATM 56924 C C13 . CLA BG 23 . ? 28.195 -19.907 -18.378 1.00 102.99 ? 614 CLA b C13 1 +HETATM 56925 C C14 . CLA BG 23 . ? 29.462 -19.653 -19.200 1.00 72.31 ? 614 CLA b C14 1 +HETATM 56926 C C15 . CLA BG 23 . ? 26.890 -19.592 -19.125 1.00 100.57 ? 614 CLA b C15 1 +HETATM 56927 C C16 . CLA BG 23 . ? 26.224 -18.245 -18.790 1.00 105.00 ? 614 CLA b C16 1 +HETATM 56928 C C17 . CLA BG 23 . ? 24.843 -18.143 -19.451 1.00 108.83 ? 614 CLA b C17 1 +HETATM 56929 C C18 . CLA BG 23 . ? 24.384 -16.711 -19.719 1.00 98.74 ? 614 CLA b C18 1 +HETATM 56930 C C19 . CLA BG 23 . ? 23.335 -16.248 -18.711 1.00 92.88 ? 614 CLA b C19 1 +HETATM 56931 C C20 . CLA BG 23 . ? 23.867 -16.571 -21.152 1.00 90.83 ? 614 CLA b C20 1 +HETATM 56932 MG MG . CLA CG 23 . ? 53.664 -14.163 -7.971 1.00 59.01 ? 615 CLA b MG 1 +HETATM 56933 C CHA . CLA CG 23 . ? 50.334 -14.171 -8.971 1.00 52.86 ? 615 CLA b CHA 1 +HETATM 56934 C CHB . CLA CG 23 . ? 54.498 -13.667 -11.218 1.00 59.64 ? 615 CLA b CHB 1 +HETATM 56935 C CHC . CLA CG 23 . ? 56.874 -15.003 -7.141 1.00 58.23 ? 615 CLA b CHC 1 +HETATM 56936 C CHD . CLA CG 23 . ? 52.547 -15.474 -4.698 1.00 55.85 ? 615 CLA b CHD 1 +HETATM 56937 N NA . CLA CG 23 . ? 52.616 -14.006 -9.778 1.00 59.40 ? 615 CLA b NA 1 +HETATM 56938 C C1A . CLA CG 23 . ? 51.354 -13.832 -9.999 1.00 51.81 ? 615 CLA b C1A 1 +HETATM 56939 C C2A . CLA CG 23 . ? 50.923 -13.469 -11.408 1.00 55.95 ? 615 CLA b C2A 1 +HETATM 56940 C C3A . CLA CG 23 . ? 52.282 -13.301 -12.081 1.00 65.17 ? 615 CLA b C3A 1 +HETATM 56941 C C4A . CLA CG 23 . ? 53.190 -13.684 -10.943 1.00 60.84 ? 615 CLA b C4A 1 +HETATM 56942 C CMA . CLA CG 23 . ? 52.460 -14.294 -13.217 1.00 57.12 ? 615 CLA b CMA 1 +HETATM 56943 C CAA . CLA CG 23 . ? 50.056 -12.219 -11.575 1.00 53.75 ? 615 CLA b CAA 1 +HETATM 56944 C CBA . CLA CG 23 . ? 50.055 -11.716 -13.030 1.00 52.41 ? 615 CLA b CBA 1 +HETATM 56945 C CGA . CLA CG 23 . ? 49.292 -12.560 -14.037 1.00 48.56 ? 615 CLA b CGA 1 +HETATM 56946 O O1A . CLA CG 23 . ? 48.659 -13.553 -13.732 1.00 55.76 ? 615 CLA b O1A 1 +HETATM 56947 O O2A . CLA CG 23 . ? 49.281 -12.190 -15.437 1.00 57.41 ? 615 CLA b O2A 1 +HETATM 56948 N NB . CLA CG 23 . ? 55.418 -14.302 -9.031 1.00 59.05 ? 615 CLA b NB 1 +HETATM 56949 C C1B . CLA CG 23 . ? 55.605 -14.033 -10.318 1.00 59.77 ? 615 CLA b C1B 1 +HETATM 56950 C C2B . CLA CG 23 . ? 57.007 -14.203 -10.797 1.00 59.26 ? 615 CLA b C2B 1 +HETATM 56951 C C3B . CLA CG 23 . ? 57.705 -14.605 -9.568 1.00 59.53 ? 615 CLA b C3B 1 +HETATM 56952 C C4B . CLA CG 23 . ? 56.627 -14.643 -8.550 1.00 56.30 ? 615 CLA b C4B 1 +HETATM 56953 C CMB . CLA CG 23 . ? 57.610 -14.035 -12.161 1.00 61.88 ? 615 CLA b CMB 1 +HETATM 56954 C CAB . CLA CG 23 . ? 59.154 -14.902 -9.430 1.00 65.06 ? 615 CLA b CAB 1 +HETATM 56955 C CBB . CLA CG 23 . ? 59.604 -15.827 -8.616 1.00 80.09 ? 615 CLA b CBB 1 +HETATM 56956 N NC . CLA CG 23 . ? 54.499 -15.051 -6.289 1.00 65.39 ? 615 CLA b NC 1 +HETATM 56957 C C1C . CLA CG 23 . ? 55.821 -15.297 -6.154 1.00 54.47 ? 615 CLA b C1C 1 +HETATM 56958 C C2C . CLA CG 23 . ? 56.223 -15.907 -4.868 1.00 62.19 ? 615 CLA b C2C 1 +HETATM 56959 C C3C . CLA CG 23 . ? 54.939 -16.054 -4.152 1.00 60.96 ? 615 CLA b C3C 1 +HETATM 56960 C C4C . CLA CG 23 . ? 53.963 -15.494 -5.124 1.00 61.80 ? 615 CLA b C4C 1 +HETATM 56961 C CMC . CLA CG 23 . ? 57.606 -16.296 -4.426 1.00 66.69 ? 615 CLA b CMC 1 +HETATM 56962 C CAC . CLA CG 23 . ? 54.659 -16.610 -2.779 1.00 54.08 ? 615 CLA b CAC 1 +HETATM 56963 C CBC . CLA CG 23 . ? 54.374 -18.088 -2.947 1.00 66.55 ? 615 CLA b CBC 1 +HETATM 56964 N ND . CLA CG 23 . ? 51.956 -14.724 -7.004 1.00 51.95 ? 615 CLA b ND 1 +HETATM 56965 C C1D . CLA CG 23 . ? 51.540 -15.185 -5.715 1.00 51.66 ? 615 CLA b C1D 1 +HETATM 56966 C C2D . CLA CG 23 . ? 50.081 -15.329 -5.512 1.00 55.63 ? 615 CLA b C2D 1 +HETATM 56967 C C3D . CLA CG 23 . ? 49.605 -14.916 -6.866 1.00 56.88 ? 615 CLA b C3D 1 +HETATM 56968 C C4D . CLA CG 23 . ? 50.723 -14.588 -7.613 1.00 50.13 ? 615 CLA b C4D 1 +HETATM 56969 C CMD . CLA CG 23 . ? 49.194 -15.753 -4.374 1.00 59.29 ? 615 CLA b CMD 1 +HETATM 56970 C CAD . CLA CG 23 . ? 48.409 -14.701 -7.725 1.00 53.63 ? 615 CLA b CAD 1 +HETATM 56971 O OBD . CLA CG 23 . ? 47.192 -14.901 -7.367 1.00 50.60 ? 615 CLA b OBD 1 +HETATM 56972 C CBD . CLA CG 23 . ? 48.852 -14.230 -9.062 1.00 55.82 ? 615 CLA b CBD 1 +HETATM 56973 C CGD . CLA CG 23 . ? 48.345 -15.148 -10.130 1.00 58.06 ? 615 CLA b CGD 1 +HETATM 56974 O O1D . CLA CG 23 . ? 48.947 -16.150 -10.490 1.00 51.84 ? 615 CLA b O1D 1 +HETATM 56975 O O2D . CLA CG 23 . ? 47.085 -14.809 -10.748 1.00 57.43 ? 615 CLA b O2D 1 +HETATM 56976 C CED . CLA CG 23 . ? 46.583 -15.649 -11.778 1.00 53.78 ? 615 CLA b CED 1 +HETATM 56977 C C1 . CLA CG 23 . ? 48.494 -12.965 -16.344 1.00 66.41 ? 615 CLA b C1 1 +HETATM 56978 C C2 . CLA CG 23 . ? 49.251 -14.218 -16.700 1.00 58.37 ? 615 CLA b C2 1 +HETATM 56979 C C3 . CLA CG 23 . ? 49.852 -14.383 -17.879 1.00 58.97 ? 615 CLA b C3 1 +HETATM 56980 C C4 . CLA CG 23 . ? 49.800 -13.325 -18.947 1.00 60.14 ? 615 CLA b C4 1 +HETATM 56981 C C5 . CLA CG 23 . ? 50.590 -15.671 -18.115 1.00 63.49 ? 615 CLA b C5 1 +HETATM 56982 C C6 . CLA CG 23 . ? 52.076 -15.423 -17.945 1.00 76.62 ? 615 CLA b C6 1 +HETATM 56983 C C7 . CLA CG 23 . ? 52.885 -16.627 -18.394 1.00 71.36 ? 615 CLA b C7 1 +HETATM 56984 C C8 . CLA CG 23 . ? 52.944 -17.619 -17.251 1.00 79.54 ? 615 CLA b C8 1 +HETATM 56985 C C9 . CLA CG 23 . ? 53.315 -16.939 -15.944 1.00 95.54 ? 615 CLA b C9 1 +HETATM 56986 C C10 . CLA CG 23 . ? 53.953 -18.716 -17.544 1.00 93.61 ? 615 CLA b C10 1 +HETATM 56987 C C11 . CLA CG 23 . ? 53.889 -19.692 -16.376 1.00 85.69 ? 615 CLA b C11 1 +HETATM 56988 C C12 . CLA CG 23 . ? 54.885 -20.825 -16.546 1.00 83.28 ? 615 CLA b C12 1 +HETATM 56989 C C13 . CLA CG 23 . ? 55.442 -21.225 -15.191 1.00 67.01 ? 615 CLA b C13 1 +HETATM 56990 C C14 . CLA CG 23 . ? 55.997 -22.638 -15.303 1.00 81.26 ? 615 CLA b C14 1 +HETATM 56991 C C15 . CLA CG 23 . ? 54.328 -21.162 -14.152 1.00 76.67 ? 615 CLA b C15 1 +HETATM 56992 C C16 . CLA CG 23 . ? 54.760 -20.641 -12.775 1.00 79.42 ? 615 CLA b C16 1 +HETATM 56993 C C17 . CLA CG 23 . ? 55.319 -19.220 -12.838 1.00 83.95 ? 615 CLA b C17 1 +HETATM 56994 C C18 . CLA CG 23 . ? 55.284 -18.554 -11.468 1.00 78.28 ? 615 CLA b C18 1 +HETATM 56995 C C19 . CLA CG 23 . ? 54.700 -17.158 -11.587 1.00 71.58 ? 615 CLA b C19 1 +HETATM 56996 C C20 . CLA CG 23 . ? 56.657 -18.477 -10.814 1.00 75.77 ? 615 CLA b C20 1 +HETATM 56997 MG MG . CLA DG 23 . ? 51.769 -22.433 -11.506 1.00 58.93 ? 616 CLA b MG 1 +HETATM 56998 C CHA . CLA DG 23 . ? 53.278 -25.512 -11.811 1.00 54.57 ? 616 CLA b CHA 1 +HETATM 56999 C CHB . CLA DG 23 . ? 50.807 -22.718 -14.745 1.00 53.13 ? 616 CLA b CHB 1 +HETATM 57000 C CHC . CLA DG 23 . ? 50.872 -19.166 -11.353 1.00 61.30 ? 616 CLA b CHC 1 +HETATM 57001 C CHD . CLA DG 23 . ? 53.502 -22.050 -8.240 1.00 56.06 ? 616 CLA b CHD 1 +HETATM 57002 N NA . CLA DG 23 . ? 52.030 -23.839 -13.023 1.00 62.80 ? 616 CLA b NA 1 +HETATM 57003 C C1A . CLA DG 23 . ? 52.476 -25.037 -12.963 1.00 56.89 ? 616 CLA b C1A 1 +HETATM 57004 C C2A . CLA DG 23 . ? 52.232 -25.945 -14.153 1.00 57.66 ? 616 CLA b C2A 1 +HETATM 57005 C C3A . CLA DG 23 . ? 51.486 -25.011 -15.087 1.00 53.75 ? 616 CLA b C3A 1 +HETATM 57006 C C4A . CLA DG 23 . ? 51.434 -23.777 -14.228 1.00 63.53 ? 616 CLA b C4A 1 +HETATM 57007 C CMA . CLA DG 23 . ? 52.412 -24.725 -16.261 1.00 57.96 ? 616 CLA b CMA 1 +HETATM 57008 C CAA . CLA DG 23 . ? 51.315 -27.125 -13.817 1.00 52.93 ? 616 CLA b CAA 1 +HETATM 57009 C CBA . CLA DG 23 . ? 50.899 -27.894 -15.076 1.00 62.31 ? 616 CLA b CBA 1 +HETATM 57010 C CGA . CLA DG 23 . ? 52.074 -28.699 -15.606 1.00 67.66 ? 616 CLA b CGA 1 +HETATM 57011 O O1A . CLA DG 23 . ? 52.974 -29.029 -14.870 1.00 82.75 ? 616 CLA b O1A 1 +HETATM 57012 O O2A . CLA DG 23 . ? 52.207 -29.131 -16.979 1.00 82.35 ? 616 CLA b O2A 1 +HETATM 57013 N NB . CLA DG 23 . ? 50.926 -21.142 -12.847 1.00 53.55 ? 616 CLA b NB 1 +HETATM 57014 C C1B . CLA DG 23 . ? 50.652 -21.392 -14.129 1.00 51.91 ? 616 CLA b C1B 1 +HETATM 57015 C C2B . CLA DG 23 . ? 50.192 -20.207 -14.908 1.00 55.83 ? 616 CLA b C2B 1 +HETATM 57016 C C3B . CLA DG 23 . ? 50.201 -19.131 -13.885 1.00 55.72 ? 616 CLA b C3B 1 +HETATM 57017 C C4B . CLA DG 23 . ? 50.687 -19.829 -12.656 1.00 56.00 ? 616 CLA b C4B 1 +HETATM 57018 C CMB . CLA DG 23 . ? 49.806 -20.092 -16.351 1.00 48.56 ? 616 CLA b CMB 1 +HETATM 57019 C CAB . CLA DG 23 . ? 49.820 -17.705 -14.131 1.00 56.36 ? 616 CLA b CAB 1 +HETATM 57020 C CBB . CLA DG 23 . ? 50.242 -16.717 -13.385 1.00 75.42 ? 616 CLA b CBB 1 +HETATM 57021 N NC . CLA DG 23 . ? 52.141 -20.953 -10.112 1.00 65.01 ? 616 CLA b NC 1 +HETATM 57022 C C1C . CLA DG 23 . ? 51.656 -19.706 -10.227 1.00 54.83 ? 616 CLA b C1C 1 +HETATM 57023 C C2C . CLA DG 23 . ? 51.971 -18.823 -9.063 1.00 72.49 ? 616 CLA b C2C 1 +HETATM 57024 C C3C . CLA DG 23 . ? 52.741 -19.689 -8.158 1.00 60.20 ? 616 CLA b C3C 1 +HETATM 57025 C C4C . CLA DG 23 . ? 52.779 -20.959 -8.909 1.00 57.77 ? 616 CLA b C4C 1 +HETATM 57026 C CMC . CLA DG 23 . ? 51.604 -17.390 -8.841 1.00 56.82 ? 616 CLA b CMC 1 +HETATM 57027 C CAC . CLA DG 23 . ? 53.361 -19.369 -6.821 1.00 69.00 ? 616 CLA b CAC 1 +HETATM 57028 C CBC . CLA DG 23 . ? 54.671 -18.691 -7.177 1.00 55.97 ? 616 CLA b CBC 1 +HETATM 57029 N ND . CLA DG 23 . ? 53.073 -23.411 -10.291 1.00 62.98 ? 616 CLA b ND 1 +HETATM 57030 C C1D . CLA DG 23 . ? 53.692 -23.273 -9.003 1.00 58.05 ? 616 CLA b C1D 1 +HETATM 57031 C C2D . CLA DG 23 . ? 54.510 -24.415 -8.545 1.00 60.31 ? 616 CLA b C2D 1 +HETATM 57032 C C3D . CLA DG 23 . ? 54.325 -25.318 -9.712 1.00 58.88 ? 616 CLA b C3D 1 +HETATM 57033 C C4D . CLA DG 23 . ? 53.520 -24.669 -10.635 1.00 59.36 ? 616 CLA b C4D 1 +HETATM 57034 C CMD . CLA DG 23 . ? 55.312 -24.726 -7.319 1.00 56.97 ? 616 CLA b CMD 1 +HETATM 57035 C CAD . CLA DG 23 . ? 54.669 -26.645 -10.289 1.00 68.14 ? 616 CLA b CAD 1 +HETATM 57036 O OBD . CLA DG 23 . ? 55.406 -27.510 -9.702 1.00 59.19 ? 616 CLA b OBD 1 +HETATM 57037 C CBD . CLA DG 23 . ? 54.024 -26.787 -11.628 1.00 64.05 ? 616 CLA b CBD 1 +HETATM 57038 C CGD . CLA DG 23 . ? 55.033 -27.014 -12.720 1.00 59.36 ? 616 CLA b CGD 1 +HETATM 57039 O O1D . CLA DG 23 . ? 55.178 -28.113 -13.203 1.00 70.77 ? 616 CLA b O1D 1 +HETATM 57040 O O2D . CLA DG 23 . ? 55.870 -25.975 -13.268 1.00 70.30 ? 616 CLA b O2D 1 +HETATM 57041 C CED . CLA DG 23 . ? 56.834 -26.369 -14.239 1.00 76.67 ? 616 CLA b CED 1 +HETATM 57042 C C1 . CLA DG 23 . ? 53.525 -29.356 -17.491 1.00 102.18 ? 616 CLA b C1 1 +HETATM 57043 C C2 . CLA DG 23 . ? 53.891 -28.303 -18.520 1.00 115.97 ? 616 CLA b C2 1 +HETATM 57044 C C3 . CLA DG 23 . ? 55.151 -27.834 -18.654 1.00 122.61 ? 616 CLA b C3 1 +HETATM 57045 C C4 . CLA DG 23 . ? 56.259 -28.337 -17.766 1.00 117.50 ? 616 CLA b C4 1 +HETATM 57046 C C5 . CLA DG 23 . ? 55.461 -26.788 -19.701 1.00 94.61 ? 616 CLA b C5 1 +HETATM 57047 C C6 . CLA DG 23 . ? 54.723 -25.474 -19.471 1.00 109.85 ? 616 CLA b C6 1 +HETATM 57048 C C7 . CLA DG 23 . ? 55.696 -24.305 -19.377 1.00 99.47 ? 616 CLA b C7 1 +HETATM 57049 C C8 . CLA DG 23 . ? 55.083 -22.995 -19.874 1.00 114.41 ? 616 CLA b C8 1 +HETATM 57050 C C9 . CLA DG 23 . ? 53.818 -23.210 -20.702 1.00 114.28 ? 616 CLA b C9 1 +HETATM 57051 C C10 . CLA DG 23 . ? 56.141 -22.236 -20.673 1.00 118.17 ? 616 CLA b C10 1 +HETATM 57052 C C11 . CLA DG 23 . ? 55.558 -21.069 -21.467 1.00 111.52 ? 616 CLA b C11 1 +HETATM 57053 C C12 . CLA DG 23 . ? 56.682 -20.152 -21.936 1.00 116.86 ? 616 CLA b C12 1 +HETATM 57054 C C13 . CLA DG 23 . ? 57.359 -19.528 -20.719 1.00 127.67 ? 616 CLA b C13 1 +HETATM 57055 C C14 . CLA DG 23 . ? 56.386 -18.609 -19.999 1.00 140.29 ? 616 CLA b C14 1 +HETATM 57056 C C15 . CLA DG 23 . ? 58.614 -18.750 -21.105 1.00 146.40 ? 616 CLA b C15 1 +HETATM 57057 C C16 . CLA DG 23 . ? 59.440 -18.392 -19.870 1.00 133.41 ? 616 CLA b C16 1 +HETATM 57058 C C17 . CLA DG 23 . ? 60.653 -17.535 -20.216 1.00 121.30 ? 616 CLA b C17 1 +HETATM 57059 C C18 . CLA DG 23 . ? 61.742 -17.699 -19.158 1.00 144.66 ? 616 CLA b C18 1 +HETATM 57060 C C19 . CLA DG 23 . ? 61.217 -17.365 -17.765 1.00 111.06 ? 616 CLA b C19 1 +HETATM 57061 C C20 . CLA DG 23 . ? 62.973 -16.863 -19.500 1.00 136.96 ? 616 CLA b C20 1 +HETATM 57062 C C1 . BCR EG 25 . ? 22.478 -8.735 -23.170 1.00 64.51 ? 617 BCR b C1 1 +HETATM 57063 C C2 . BCR EG 25 . ? 21.180 -8.014 -23.508 1.00 53.41 ? 617 BCR b C2 1 +HETATM 57064 C C3 . BCR EG 25 . ? 20.037 -8.486 -22.631 1.00 68.87 ? 617 BCR b C3 1 +HETATM 57065 C C4 . BCR EG 25 . ? 19.789 -9.979 -22.816 1.00 69.53 ? 617 BCR b C4 1 +HETATM 57066 C C5 . BCR EG 25 . ? 21.068 -10.777 -22.783 1.00 58.90 ? 617 BCR b C5 1 +HETATM 57067 C C6 . BCR EG 25 . ? 22.280 -10.224 -22.942 1.00 59.39 ? 617 BCR b C6 1 +HETATM 57068 C C7 . BCR EG 25 . ? 23.472 -11.107 -22.893 1.00 52.06 ? 617 BCR b C7 1 +HETATM 57069 C C8 . BCR EG 25 . ? 24.124 -11.322 -21.748 1.00 48.59 ? 617 BCR b C8 1 +HETATM 57070 C C9 . BCR EG 25 . ? 25.292 -12.218 -21.721 1.00 53.73 ? 617 BCR b C9 1 +HETATM 57071 C C10 . BCR EG 25 . ? 25.847 -12.586 -20.539 1.00 53.51 ? 617 BCR b C10 1 +HETATM 57072 C C11 . BCR EG 25 . ? 26.981 -13.522 -20.414 1.00 43.50 ? 617 BCR b C11 1 +HETATM 57073 C C33 . BCR EG 25 . ? 20.944 -12.253 -22.580 1.00 62.86 ? 617 BCR b C33 1 +HETATM 57074 C C31 . BCR EG 25 . ? 23.110 -8.122 -21.929 1.00 55.74 ? 617 BCR b C31 1 +HETATM 57075 C C32 . BCR EG 25 . ? 23.411 -8.602 -24.359 1.00 61.96 ? 617 BCR b C32 1 +HETATM 57076 C C34 . BCR EG 25 . ? 25.820 -12.723 -23.043 1.00 52.28 ? 617 BCR b C34 1 +HETATM 57077 C C12 . BCR EG 25 . ? 27.518 -13.775 -19.207 1.00 51.10 ? 617 BCR b C12 1 +HETATM 57078 C C13 . BCR EG 25 . ? 28.626 -14.744 -18.995 1.00 48.71 ? 617 BCR b C13 1 +HETATM 57079 C C14 . BCR EG 25 . ? 28.970 -15.055 -17.722 1.00 53.04 ? 617 BCR b C14 1 +HETATM 57080 C C15 . BCR EG 25 . ? 29.991 -16.030 -17.294 1.00 53.92 ? 617 BCR b C15 1 +HETATM 57081 C C16 . BCR EG 25 . ? 30.188 -16.297 -15.984 1.00 49.02 ? 617 BCR b C16 1 +HETATM 57082 C C17 . BCR EG 25 . ? 31.177 -17.308 -15.588 1.00 49.90 ? 617 BCR b C17 1 +HETATM 57083 C C18 . BCR EG 25 . ? 31.431 -17.701 -14.311 1.00 56.61 ? 617 BCR b C18 1 +HETATM 57084 C C19 . BCR EG 25 . ? 32.451 -18.764 -14.082 1.00 46.67 ? 617 BCR b C19 1 +HETATM 57085 C C20 . BCR EG 25 . ? 32.633 -19.445 -12.942 1.00 52.76 ? 617 BCR b C20 1 +HETATM 57086 C C21 . BCR EG 25 . ? 33.708 -20.453 -12.917 1.00 55.07 ? 617 BCR b C21 1 +HETATM 57087 C C22 . BCR EG 25 . ? 33.994 -21.249 -11.861 1.00 60.57 ? 617 BCR b C22 1 +HETATM 57088 C C23 . BCR EG 25 . ? 35.026 -22.125 -11.956 1.00 62.83 ? 617 BCR b C23 1 +HETATM 57089 C C24 . BCR EG 25 . ? 35.319 -23.031 -11.002 1.00 56.03 ? 617 BCR b C24 1 +HETATM 57090 C C25 . BCR EG 25 . ? 36.474 -23.976 -11.102 1.00 60.29 ? 617 BCR b C25 1 +HETATM 57091 C C26 . BCR EG 25 . ? 36.642 -24.865 -12.115 1.00 62.79 ? 617 BCR b C26 1 +HETATM 57092 C C27 . BCR EG 25 . ? 37.838 -25.788 -12.169 1.00 59.02 ? 617 BCR b C27 1 +HETATM 57093 C C28 . BCR EG 25 . ? 38.540 -25.949 -10.835 1.00 55.86 ? 617 BCR b C28 1 +HETATM 57094 C C29 . BCR EG 25 . ? 38.777 -24.611 -10.167 1.00 60.27 ? 617 BCR b C29 1 +HETATM 57095 C C30 . BCR EG 25 . ? 37.467 -23.876 -9.950 1.00 58.56 ? 617 BCR b C30 1 +HETATM 57096 C C35 . BCR EG 25 . ? 29.300 -15.375 -20.189 1.00 45.86 ? 617 BCR b C35 1 +HETATM 57097 C C36 . BCR EG 25 . ? 30.749 -17.052 -13.136 1.00 49.54 ? 617 BCR b C36 1 +HETATM 57098 C C37 . BCR EG 25 . ? 33.216 -21.153 -10.575 1.00 47.60 ? 617 BCR b C37 1 +HETATM 57099 C C38 . BCR EG 25 . ? 35.676 -25.014 -13.265 1.00 51.32 ? 617 BCR b C38 1 +HETATM 57100 C C39 . BCR EG 25 . ? 37.798 -22.403 -9.736 1.00 59.20 ? 617 BCR b C39 1 +HETATM 57101 C C40 . BCR EG 25 . ? 36.818 -24.442 -8.695 1.00 52.17 ? 617 BCR b C40 1 +HETATM 57102 C C1 . BCR FG 25 . ? 27.041 -5.984 -16.635 1.00 74.64 ? 618 BCR b C1 1 +HETATM 57103 C C2 . BCR FG 25 . ? 25.832 -5.062 -16.762 1.00 62.53 ? 618 BCR b C2 1 +HETATM 57104 C C3 . BCR FG 25 . ? 25.030 -5.374 -18.020 1.00 61.96 ? 618 BCR b C3 1 +HETATM 57105 C C4 . BCR FG 25 . ? 24.466 -6.781 -17.925 1.00 62.20 ? 618 BCR b C4 1 +HETATM 57106 C C5 . BCR FG 25 . ? 25.553 -7.781 -17.597 1.00 56.69 ? 618 BCR b C5 1 +HETATM 57107 C C6 . BCR FG 25 . ? 26.726 -7.431 -17.022 1.00 63.08 ? 618 BCR b C6 1 +HETATM 57108 C C7 . BCR FG 25 . ? 27.761 -8.460 -16.733 1.00 54.02 ? 618 BCR b C7 1 +HETATM 57109 C C8 . BCR FG 25 . ? 28.394 -9.097 -17.734 1.00 56.61 ? 618 BCR b C8 1 +HETATM 57110 C C9 . BCR FG 25 . ? 29.437 -10.116 -17.535 1.00 52.16 ? 618 BCR b C9 1 +HETATM 57111 C C10 . BCR FG 25 . ? 29.850 -10.854 -18.594 1.00 50.69 ? 618 BCR b C10 1 +HETATM 57112 C C11 . BCR FG 25 . ? 30.904 -11.883 -18.558 1.00 47.63 ? 618 BCR b C11 1 +HETATM 57113 C C33 . BCR FG 25 . ? 25.230 -9.201 -17.953 1.00 54.85 ? 618 BCR b C33 1 +HETATM 57114 C C31 . BCR FG 25 . ? 27.482 -5.930 -15.188 1.00 68.21 ? 618 BCR b C31 1 +HETATM 57115 C C32 . BCR FG 25 . ? 28.186 -5.446 -17.492 1.00 65.73 ? 618 BCR b C32 1 +HETATM 57116 C C34 . BCR FG 25 . ? 30.023 -10.264 -16.162 1.00 56.03 ? 618 BCR b C34 1 +HETATM 57117 C C12 . BCR FG 25 . ? 31.350 -12.403 -19.712 1.00 49.23 ? 618 BCR b C12 1 +HETATM 57118 C C13 . BCR FG 25 . ? 32.428 -13.425 -19.808 1.00 49.98 ? 618 BCR b C13 1 +HETATM 57119 C C14 . BCR FG 25 . ? 32.647 -14.095 -20.965 1.00 47.35 ? 618 BCR b C14 1 +HETATM 57120 C C15 . BCR FG 25 . ? 33.700 -15.110 -21.126 1.00 48.84 ? 618 BCR b C15 1 +HETATM 57121 C C16 . BCR FG 25 . ? 33.881 -15.774 -22.291 1.00 56.14 ? 618 BCR b C16 1 +HETATM 57122 C C17 . BCR FG 25 . ? 34.943 -16.790 -22.437 1.00 50.02 ? 618 BCR b C17 1 +HETATM 57123 C C18 . BCR FG 25 . ? 35.167 -17.569 -23.530 1.00 60.17 ? 618 BCR b C18 1 +HETATM 57124 C C19 . BCR FG 25 . ? 36.283 -18.542 -23.505 1.00 53.97 ? 618 BCR b C19 1 +HETATM 57125 C C20 . BCR FG 25 . ? 36.508 -19.422 -24.495 1.00 55.17 ? 618 BCR b C20 1 +HETATM 57126 C C21 . BCR FG 25 . ? 37.641 -20.346 -24.335 1.00 62.52 ? 618 BCR b C21 1 +HETATM 57127 C C22 . BCR FG 25 . ? 37.934 -21.391 -25.134 1.00 61.92 ? 618 BCR b C22 1 +HETATM 57128 C C23 . BCR FG 25 . ? 39.026 -22.150 -24.851 1.00 56.22 ? 618 BCR b C23 1 +HETATM 57129 C C24 . BCR FG 25 . ? 39.422 -23.212 -25.580 1.00 64.90 ? 618 BCR b C24 1 +HETATM 57130 C C25 . BCR FG 25 . ? 40.625 -24.073 -25.324 1.00 74.17 ? 618 BCR b C25 1 +HETATM 57131 C C26 . BCR FG 25 . ? 40.793 -24.788 -24.182 1.00 75.86 ? 618 BCR b C26 1 +HETATM 57132 C C27 . BCR FG 25 . ? 42.001 -25.666 -23.933 1.00 76.20 ? 618 BCR b C27 1 +HETATM 57133 C C28 . BCR FG 25 . ? 43.188 -25.193 -24.747 1.00 63.58 ? 618 BCR b C28 1 +HETATM 57134 C C29 . BCR FG 25 . ? 42.770 -25.144 -26.199 1.00 72.33 ? 618 BCR b C29 1 +HETATM 57135 C C30 . BCR FG 25 . ? 41.661 -24.126 -26.442 1.00 84.60 ? 618 BCR b C30 1 +HETATM 57136 C C35 . BCR FG 25 . ? 33.276 -13.697 -18.599 1.00 47.50 ? 618 BCR b C35 1 +HETATM 57137 C C36 . BCR FG 25 . ? 34.318 -17.492 -24.770 1.00 53.38 ? 618 BCR b C36 1 +HETATM 57138 C C37 . BCR FG 25 . ? 37.078 -21.660 -26.340 1.00 57.75 ? 618 BCR b C37 1 +HETATM 57139 C C38 . BCR FG 25 . ? 39.788 -24.774 -23.064 1.00 75.73 ? 618 BCR b C38 1 +HETATM 57140 C C39 . BCR FG 25 . ? 40.946 -24.479 -27.750 1.00 94.51 ? 618 BCR b C39 1 +HETATM 57141 C C40 . BCR FG 25 . ? 42.296 -22.762 -26.663 1.00 72.76 ? 618 BCR b C40 1 +HETATM 57142 C C1 . BCR GG 25 . ? 53.530 -13.541 -26.932 1.00 78.33 ? 619 BCR b C1 1 +HETATM 57143 C C2 . BCR GG 25 . ? 54.425 -13.254 -28.125 1.00 83.70 ? 619 BCR b C2 1 +HETATM 57144 C C3 . BCR GG 25 . ? 55.794 -12.816 -27.648 1.00 90.75 ? 619 BCR b C3 1 +HETATM 57145 C C4 . BCR GG 25 . ? 56.441 -13.987 -26.933 1.00 85.77 ? 619 BCR b C4 1 +HETATM 57146 C C5 . BCR GG 25 . ? 55.525 -14.649 -25.926 1.00 92.36 ? 619 BCR b C5 1 +HETATM 57147 C C6 . BCR GG 25 . ? 54.182 -14.447 -25.910 1.00 77.09 ? 619 BCR b C6 1 +HETATM 57148 C C7 . BCR GG 25 . ? 53.209 -15.079 -24.959 1.00 95.03 ? 619 BCR b C7 1 +HETATM 57149 C C8 . BCR GG 25 . ? 53.385 -15.437 -23.679 1.00 75.76 ? 619 BCR b C8 1 +HETATM 57150 C C9 . BCR GG 25 . ? 52.321 -16.062 -22.851 1.00 79.25 ? 619 BCR b C9 1 +HETATM 57151 C C10 . BCR GG 25 . ? 52.381 -17.374 -22.552 1.00 62.82 ? 619 BCR b C10 1 +HETATM 57152 C C11 . BCR GG 25 . ? 51.367 -18.033 -21.721 1.00 66.23 ? 619 BCR b C11 1 +HETATM 57153 C C33 . BCR GG 25 . ? 56.256 -15.540 -24.960 1.00 83.24 ? 619 BCR b C33 1 +HETATM 57154 C C31 . BCR GG 25 . ? 52.265 -14.224 -27.422 1.00 74.17 ? 619 BCR b C31 1 +HETATM 57155 C C32 . BCR GG 25 . ? 53.182 -12.216 -26.267 1.00 80.36 ? 619 BCR b C32 1 +HETATM 57156 C C34 . BCR GG 25 . ? 51.207 -15.218 -22.298 1.00 58.35 ? 619 BCR b C34 1 +HETATM 57157 C C12 . BCR GG 25 . ? 51.506 -19.323 -21.396 1.00 66.05 ? 619 BCR b C12 1 +HETATM 57158 C C13 . BCR GG 25 . ? 50.511 -20.042 -20.568 1.00 66.41 ? 619 BCR b C13 1 +HETATM 57159 C C14 . BCR GG 25 . ? 50.679 -21.364 -20.331 1.00 58.48 ? 619 BCR b C14 1 +HETATM 57160 C C15 . BCR GG 25 . ? 49.764 -22.208 -19.542 1.00 48.91 ? 619 BCR b C15 1 +HETATM 57161 C C16 . BCR GG 25 . ? 50.023 -23.528 -19.418 1.00 52.89 ? 619 BCR b C16 1 +HETATM 57162 C C17 . BCR GG 25 . ? 49.143 -24.444 -18.670 1.00 53.05 ? 619 BCR b C17 1 +HETATM 57163 C C18 . BCR GG 25 . ? 49.314 -25.791 -18.552 1.00 61.23 ? 619 BCR b C18 1 +HETATM 57164 C C19 . BCR GG 25 . ? 48.302 -26.562 -17.785 1.00 50.69 ? 619 BCR b C19 1 +HETATM 57165 C C20 . BCR GG 25 . ? 48.306 -27.886 -17.580 1.00 58.66 ? 619 BCR b C20 1 +HETATM 57166 C C21 . BCR GG 25 . ? 47.191 -28.450 -16.796 1.00 51.49 ? 619 BCR b C21 1 +HETATM 57167 C C22 . BCR GG 25 . ? 47.061 -29.741 -16.406 1.00 64.21 ? 619 BCR b C22 1 +HETATM 57168 C C23 . BCR GG 25 . ? 45.955 -30.110 -15.715 1.00 53.38 ? 619 BCR b C23 1 +HETATM 57169 C C24 . BCR GG 25 . ? 45.569 -31.398 -15.672 1.00 59.82 ? 619 BCR b C24 1 +HETATM 57170 C C25 . BCR GG 25 . ? 44.338 -31.890 -14.993 1.00 59.82 ? 619 BCR b C25 1 +HETATM 57171 C C26 . BCR GG 25 . ? 43.148 -31.696 -15.600 1.00 73.80 ? 619 BCR b C26 1 +HETATM 57172 C C27 . BCR GG 25 . ? 41.835 -32.164 -15.014 1.00 57.98 ? 619 BCR b C27 1 +HETATM 57173 C C28 . BCR GG 25 . ? 41.958 -32.328 -13.519 1.00 67.18 ? 619 BCR b C28 1 +HETATM 57174 C C29 . BCR GG 25 . ? 43.124 -33.253 -13.229 1.00 64.26 ? 619 BCR b C29 1 +HETATM 57175 C C30 . BCR GG 25 . ? 44.441 -32.626 -13.667 1.00 74.77 ? 619 BCR b C30 1 +HETATM 57176 C C35 . BCR GG 25 . ? 49.345 -19.277 -20.003 1.00 61.52 ? 619 BCR b C35 1 +HETATM 57177 C C36 . BCR GG 25 . ? 50.480 -26.510 -19.179 1.00 57.64 ? 619 BCR b C36 1 +HETATM 57178 C C37 . BCR GG 25 . ? 48.109 -30.761 -16.772 1.00 54.00 ? 619 BCR b C37 1 +HETATM 57179 C C38 . BCR GG 25 . ? 43.056 -30.986 -16.926 1.00 65.90 ? 619 BCR b C38 1 +HETATM 57180 C C39 . BCR GG 25 . ? 45.437 -33.769 -13.831 1.00 65.80 ? 619 BCR b C39 1 +HETATM 57181 C C40 . BCR GG 25 . ? 44.915 -31.679 -12.571 1.00 58.40 ? 619 BCR b C40 1 +HETATM 57182 O O6 . SQD HG 26 . ? 36.263 -32.405 -8.175 1.00 114.67 ? 620 SQD b O6 1 +HETATM 57183 C C44 . SQD HG 26 . ? 36.315 -30.977 -8.046 1.00 108.34 ? 620 SQD b C44 1 +HETATM 57184 C C45 . SQD HG 26 . ? 35.268 -30.260 -8.904 1.00 110.15 ? 620 SQD b C45 1 +HETATM 57185 C C46 . SQD HG 26 . ? 33.869 -30.660 -8.444 1.00 117.55 ? 620 SQD b C46 1 +HETATM 57186 O O47 . SQD HG 26 . ? 35.456 -28.846 -8.759 1.00 108.39 ? 620 SQD b O47 1 +HETATM 57187 C C7 . SQD HG 26 . ? 34.286 -28.009 -9.020 1.00 95.86 ? 620 SQD b C7 1 +HETATM 57188 O O49 . SQD HG 26 . ? 33.589 -27.669 -8.078 1.00 124.28 ? 620 SQD b O49 1 +HETATM 57189 C C8 . SQD HG 26 . ? 33.945 -27.502 -10.398 1.00 89.36 ? 620 SQD b C8 1 +HETATM 57190 C C9 . SQD HG 26 . ? 32.616 -26.756 -10.339 1.00 69.85 ? 620 SQD b C9 1 +HETATM 57191 C C10 . SQD HG 26 . ? 32.371 -26.033 -11.657 1.00 79.29 ? 620 SQD b C10 1 +HETATM 57192 C C11 . SQD HG 26 . ? 30.891 -25.842 -11.976 1.00 81.38 ? 620 SQD b C11 1 +HETATM 57193 C C12 . SQD HG 26 . ? 30.696 -24.671 -12.944 1.00 91.75 ? 620 SQD b C12 1 +HETATM 57194 C C13 . SQD HG 26 . ? 31.485 -24.870 -14.232 1.00 97.20 ? 620 SQD b C13 1 +HETATM 57195 C C14 . SQD HG 26 . ? 31.352 -23.698 -15.201 1.00 82.07 ? 620 SQD b C14 1 +HETATM 57196 C C15 . SQD HG 26 . ? 32.572 -23.680 -16.127 1.00 92.20 ? 620 SQD b C15 1 +HETATM 57197 C C16 . SQD HG 26 . ? 32.203 -23.540 -17.599 1.00 99.27 ? 620 SQD b C16 1 +HETATM 57198 C C17 . SQD HG 26 . ? 32.212 -22.086 -18.059 1.00 118.78 ? 620 SQD b C17 1 +HETATM 57199 C C18 . SQD HG 26 . ? 33.627 -21.531 -18.192 1.00 102.54 ? 620 SQD b C18 1 +HETATM 57200 C C19 . SQD HG 26 . ? 33.626 -20.384 -19.203 1.00 92.00 ? 620 SQD b C19 1 +HETATM 57201 C C20 . SQD HG 26 . ? 35.026 -19.817 -19.413 1.00 75.70 ? 620 SQD b C20 1 +HETATM 57202 C C21 . SQD HG 26 . ? 36.078 -20.915 -19.476 1.00 84.41 ? 620 SQD b C21 1 +HETATM 57203 C C22 . SQD HG 26 . ? 37.405 -20.331 -19.910 1.00 80.39 ? 620 SQD b C22 1 +HETATM 57204 O O48 . SQD HG 26 . ? 33.259 -31.560 -9.368 1.00 96.71 ? 620 SQD b O48 1 +HETATM 57205 C C23 . SQD HG 26 . ? 31.845 -31.839 -9.187 1.00 100.13 ? 620 SQD b C23 1 +HETATM 57206 O O10 . SQD HG 26 . ? 31.377 -31.885 -8.050 1.00 114.53 ? 620 SQD b O10 1 +HETATM 57207 C C24 . SQD HG 26 . ? 30.982 -32.046 -10.406 1.00 77.71 ? 620 SQD b C24 1 +HETATM 57208 C C25 . SQD HG 26 . ? 30.797 -30.701 -11.089 1.00 76.97 ? 620 SQD b C25 1 +HETATM 57209 C C26 . SQD HG 26 . ? 29.739 -30.802 -12.178 1.00 65.88 ? 620 SQD b C26 1 +HETATM 57210 C C27 . SQD HG 26 . ? 29.772 -29.581 -13.081 1.00 78.51 ? 620 SQD b C27 1 +HETATM 57211 C C28 . SQD HG 26 . ? 29.153 -29.919 -14.427 1.00 75.52 ? 620 SQD b C28 1 +HETATM 57212 C C29 . SQD HG 26 . ? 28.218 -28.815 -14.875 1.00 73.60 ? 620 SQD b C29 1 +HETATM 57213 C C30 . SQD HG 26 . ? 28.907 -27.898 -15.869 1.00 103.62 ? 620 SQD b C30 1 +HETATM 57214 C C31 . SQD HG 26 . ? 28.686 -28.395 -17.291 1.00 79.23 ? 620 SQD b C31 1 +HETATM 57215 C C32 . SQD HG 26 . ? 29.288 -27.431 -18.309 1.00 73.30 ? 620 SQD b C32 1 +HETATM 57216 C C33 . SQD HG 26 . ? 28.338 -26.280 -18.607 1.00 77.41 ? 620 SQD b C33 1 +HETATM 57217 C C34 . SQD HG 26 . ? 26.906 -26.798 -18.659 1.00 69.21 ? 620 SQD b C34 1 +HETATM 57218 C C35 . SQD HG 26 . ? 25.916 -25.646 -18.832 1.00 95.45 ? 620 SQD b C35 1 +HETATM 57219 C C36 . SQD HG 26 . ? 24.545 -26.027 -18.277 1.00 90.72 ? 620 SQD b C36 1 +HETATM 57220 C C37 . SQD HG 26 . ? 23.673 -24.794 -18.055 1.00 92.67 ? 620 SQD b C37 1 +HETATM 57221 C C38 . SQD HG 26 . ? 23.441 -24.085 -19.368 1.00 73.87 ? 620 SQD b C38 1 +HETATM 57222 C C1 . SQD HG 26 . ? 35.835 -32.990 -6.944 1.00 115.07 ? 620 SQD b C1 1 +HETATM 57223 C C2 . SQD HG 26 . ? 35.763 -34.495 -6.895 1.00 116.23 ? 620 SQD b C2 1 +HETATM 57224 O O2 . SQD HG 26 . ? 35.284 -34.989 -8.154 1.00 115.78 ? 620 SQD b O2 1 +HETATM 57225 C C3 . SQD HG 26 . ? 34.825 -34.809 -5.731 1.00 108.84 ? 620 SQD b C3 1 +HETATM 57226 O O3 . SQD HG 26 . ? 35.005 -36.177 -5.353 1.00 129.13 ? 620 SQD b O3 1 +HETATM 57227 C C4 . SQD HG 26 . ? 35.037 -33.922 -4.489 1.00 116.16 ? 620 SQD b C4 1 +HETATM 57228 O O4 . SQD HG 26 . ? 33.741 -33.699 -3.916 1.00 117.93 ? 620 SQD b O4 1 +HETATM 57229 C C5 . SQD HG 26 . ? 35.688 -32.547 -4.745 1.00 115.84 ? 620 SQD b C5 1 +HETATM 57230 C C6 . SQD HG 26 . ? 36.381 -31.928 -3.525 1.00 130.70 ? 620 SQD b C6 1 +HETATM 57231 O O5 . SQD HG 26 . ? 36.613 -32.605 -5.826 1.00 112.14 ? 620 SQD b O5 1 +HETATM 57232 S S . SQD HG 26 . ? 36.995 -30.418 -3.914 1.00 100.18 ? 620 SQD b S 1 +HETATM 57233 O O7 . SQD HG 26 . ? 38.206 -30.546 -4.758 1.00 109.94 ? 620 SQD b O7 1 +HETATM 57234 O O8 . SQD HG 26 . ? 36.000 -29.632 -4.680 1.00 104.50 ? 620 SQD b O8 1 +HETATM 57235 O O9 . SQD HG 26 . ? 37.344 -29.693 -2.673 1.00 108.44 ? 620 SQD b O9 1 +HETATM 57236 C C1B . LMT IG 31 . ? 49.856 2.831 23.754 1.00 126.56 ? 621 LMT b C1B 1 +HETATM 57237 O O1B . LMT IG 31 . ? 50.859 2.336 22.917 1.00 157.70 ? 621 LMT b O1B 1 +HETATM 57238 C "C1'" . LMT IG 31 . ? 51.518 2.646 18.992 1.00 147.30 ? 621 LMT b "C1'" 1 +HETATM 57239 C "C2'" . LMT IG 31 . ? 50.557 3.579 19.789 1.00 151.89 ? 621 LMT b "C2'" 1 +HETATM 57240 C "C3'" . LMT IG 31 . ? 49.685 2.818 20.865 1.00 173.35 ? 621 LMT b "C3'" 1 +HETATM 57241 C "C4'" . LMT IG 31 . ? 50.457 1.751 21.689 1.00 167.01 ? 621 LMT b "C4'" 1 +HETATM 57242 C "C5'" . LMT IG 31 . ? 51.719 1.358 20.875 1.00 157.43 ? 621 LMT b "C5'" 1 +HETATM 57243 C "C6'" . LMT IG 31 . ? 52.363 0.063 21.289 1.00 147.31 ? 621 LMT b "C6'" 1 +HETATM 57244 O "O1'" . LMT IG 31 . ? 51.162 2.594 17.670 1.00 126.81 ? 621 LMT b "O1'" 1 +HETATM 57245 O "O2'" . LMT IG 31 . ? 51.305 4.557 20.428 1.00 130.27 ? 621 LMT b "O2'" 1 +HETATM 57246 O "O3'" . LMT IG 31 . ? 48.554 2.258 20.311 1.00 164.79 ? 621 LMT b "O3'" 1 +HETATM 57247 O "O5'" . LMT IG 31 . ? 51.428 1.319 19.500 1.00 157.49 ? 621 LMT b "O5'" 1 +HETATM 57248 O "O6'" . LMT IG 31 . ? 52.831 -0.502 20.130 1.00 145.82 ? 621 LMT b "O6'" 1 +HETATM 57249 C C1 . LMT IG 31 . ? 52.161 2.932 16.723 1.00 107.39 ? 621 LMT b C1 1 +HETATM 57250 C C2 . LMT IG 31 . ? 51.396 3.347 15.490 1.00 104.69 ? 621 LMT b C2 1 +HETATM 57251 C C3 . LMT IG 31 . ? 52.190 3.594 14.247 1.00 85.55 ? 621 LMT b C3 1 +HETATM 57252 C C4 . LMT IG 31 . ? 51.289 4.321 13.277 1.00 92.34 ? 621 LMT b C4 1 +HETATM 57253 C C5 . LMT IG 31 . ? 51.890 4.350 11.908 1.00 84.30 ? 621 LMT b C5 1 +HETATM 57254 C C6 . LMT IG 31 . ? 51.604 5.635 11.189 1.00 86.67 ? 621 LMT b C6 1 +HETATM 57255 C C7 . LMT IG 31 . ? 52.282 5.659 9.848 1.00 87.39 ? 621 LMT b C7 1 +HETATM 57256 C C8 . LMT IG 31 . ? 52.168 7.038 9.290 1.00 112.53 ? 621 LMT b C8 1 +HETATM 57257 C C9 . LMT IG 31 . ? 52.844 7.260 7.972 1.00 96.26 ? 621 LMT b C9 1 +HETATM 57258 C C10 . LMT IG 31 . ? 53.333 8.688 7.953 1.00 87.82 ? 621 LMT b C10 1 +HETATM 57259 C C11 . LMT IG 31 . ? 53.095 9.334 6.626 1.00 84.34 ? 621 LMT b C11 1 +HETATM 57260 C C12 . LMT IG 31 . ? 53.597 10.741 6.585 1.00 92.10 ? 621 LMT b C12 1 +HETATM 57261 C C1 . HTG JG 34 . ? 36.929 -12.016 -41.379 1.00 121.44 ? 622 HTG b C1 1 +HETATM 57262 S S1 . HTG JG 34 . ? 38.507 -12.835 -41.056 1.00 79.34 ? 622 HTG b S1 1 +HETATM 57263 C C2 . HTG JG 34 . ? 36.927 -10.472 -41.172 1.00 89.41 ? 622 HTG b C2 1 +HETATM 57264 O O2 . HTG JG 34 . ? 37.058 -10.016 -39.814 1.00 69.40 ? 622 HTG b O2 1 +HETATM 57265 C C3 . HTG JG 34 . ? 35.640 -9.835 -41.660 1.00 87.20 ? 622 HTG b C3 1 +HETATM 57266 O O3 . HTG JG 34 . ? 35.778 -8.417 -41.528 1.00 80.18 ? 622 HTG b O3 1 +HETATM 57267 C C4 . HTG JG 34 . ? 35.447 -10.157 -43.129 1.00 111.38 ? 622 HTG b C4 1 +HETATM 57268 O O4 . HTG JG 34 . ? 34.217 -9.546 -43.569 1.00 78.06 ? 622 HTG b O4 1 +HETATM 57269 C C5 . HTG JG 34 . ? 35.467 -11.671 -43.416 1.00 100.03 ? 622 HTG b C5 1 +HETATM 57270 O O5 . HTG JG 34 . ? 36.474 -12.427 -42.704 1.00 97.94 ? 622 HTG b O5 1 +HETATM 57271 C C6 . HTG JG 34 . ? 35.676 -11.864 -44.924 1.00 91.35 ? 622 HTG b C6 1 +HETATM 57272 O O6 . HTG JG 34 . ? 36.118 -13.202 -45.218 1.00 125.15 ? 622 HTG b O6 1 +HETATM 57273 C "C1'" . HTG JG 34 . ? 38.194 -14.556 -40.840 1.00 64.02 ? 622 HTG b "C1'" 1 +HETATM 57274 C "C2'" . HTG JG 34 . ? 37.787 -14.874 -39.417 1.00 58.63 ? 622 HTG b "C2'" 1 +HETATM 57275 C "C3'" . HTG JG 34 . ? 38.896 -15.595 -38.663 1.00 75.56 ? 622 HTG b "C3'" 1 +HETATM 57276 C "C4'" . HTG JG 34 . ? 38.279 -16.503 -37.613 1.00 61.42 ? 622 HTG b "C4'" 1 +HETATM 57277 C "C5'" . HTG JG 34 . ? 38.657 -16.068 -36.209 1.00 90.61 ? 622 HTG b "C5'" 1 +HETATM 57278 C "C6'" . HTG JG 34 . ? 39.806 -16.890 -35.635 1.00 89.61 ? 622 HTG b "C6'" 1 +HETATM 57279 C "C7'" . HTG JG 34 . ? 40.089 -16.423 -34.219 1.00 78.60 ? 622 HTG b "C7'" 1 +HETATM 57280 C C1 . HTG KG 34 . ? 67.621 12.578 -20.697 1.00 159.82 ? 623 HTG b C1 1 +HETATM 57281 S S1 . HTG KG 34 . ? 66.606 11.212 -20.176 1.00 138.39 ? 623 HTG b S1 1 +HETATM 57282 C C2 . HTG KG 34 . ? 67.229 12.937 -22.141 1.00 157.56 ? 623 HTG b C2 1 +HETATM 57283 O O2 . HTG KG 34 . ? 67.631 11.866 -23.015 1.00 149.95 ? 623 HTG b O2 1 +HETATM 57284 C C3 . HTG KG 34 . ? 67.814 14.266 -22.628 1.00 159.51 ? 623 HTG b C3 1 +HETATM 57285 O O3 . HTG KG 34 . ? 67.201 14.664 -23.862 1.00 130.10 ? 623 HTG b O3 1 +HETATM 57286 C C4 . HTG KG 34 . ? 67.569 15.345 -21.586 1.00 158.16 ? 623 HTG b C4 1 +HETATM 57287 O O4 . HTG KG 34 . ? 68.136 16.596 -22.006 1.00 136.08 ? 623 HTG b O4 1 +HETATM 57288 C C5 . HTG KG 34 . ? 68.180 14.899 -20.261 1.00 168.27 ? 623 HTG b C5 1 +HETATM 57289 O O5 . HTG KG 34 . ? 67.546 13.697 -19.788 1.00 161.37 ? 623 HTG b O5 1 +HETATM 57290 C C6 . HTG KG 34 . ? 68.044 16.017 -19.232 1.00 144.58 ? 623 HTG b C6 1 +HETATM 57291 O O6 . HTG KG 34 . ? 68.641 17.217 -19.748 1.00 135.32 ? 623 HTG b O6 1 +HETATM 57292 C "C1'" . HTG KG 34 . ? 66.584 10.977 -18.428 1.00 120.08 ? 623 HTG b "C1'" 1 +HETATM 57293 C "C2'" . HTG KG 34 . ? 65.356 10.144 -18.070 1.00 98.17 ? 623 HTG b "C2'" 1 +HETATM 57294 C "C3'" . HTG KG 34 . ? 65.628 9.240 -16.872 1.00 88.57 ? 623 HTG b "C3'" 1 +HETATM 57295 C "C4'" . HTG KG 34 . ? 64.611 9.426 -15.745 1.00 84.97 ? 623 HTG b "C4'" 1 +HETATM 57296 C "C5'" . HTG KG 34 . ? 64.738 8.283 -14.737 1.00 96.21 ? 623 HTG b "C5'" 1 +HETATM 57297 C "C6'" . HTG KG 34 . ? 64.055 8.571 -13.402 1.00 92.93 ? 623 HTG b "C6'" 1 +HETATM 57298 C "C7'" . HTG KG 34 . ? 64.793 7.912 -12.255 1.00 87.76 ? 623 HTG b "C7'" 1 +HETATM 57299 C C1 . GOL LG 27 . ? 47.213 -16.479 4.595 1.00 99.16 ? 624 GOL b C1 1 +HETATM 57300 O O1 . GOL LG 27 . ? 47.579 -17.586 3.794 1.00 107.75 ? 624 GOL b O1 1 +HETATM 57301 C C2 . GOL LG 27 . ? 48.315 -15.430 4.344 1.00 95.55 ? 624 GOL b C2 1 +HETATM 57302 O O2 . GOL LG 27 . ? 49.568 -15.927 4.705 1.00 88.34 ? 624 GOL b O2 1 +HETATM 57303 C C3 . GOL LG 27 . ? 47.912 -14.089 5.138 1.00 111.99 ? 624 GOL b C3 1 +HETATM 57304 O O3 . GOL LG 27 . ? 46.624 -14.216 5.738 1.00 94.85 ? 624 GOL b O3 1 +HETATM 57305 C C1 . HTG MG 34 . ? 47.497 -14.751 -41.366 1.00 79.36 ? 625 HTG b C1 1 +HETATM 57306 S S1 . HTG MG 34 . ? 47.568 -16.365 -40.673 1.00 86.41 ? 625 HTG b S1 1 +HETATM 57307 C C2 . HTG MG 34 . ? 48.843 -14.257 -41.893 1.00 90.51 ? 625 HTG b C2 1 +HETATM 57308 O O2 . HTG MG 34 . ? 49.837 -14.188 -40.865 1.00 88.95 ? 625 HTG b O2 1 +HETATM 57309 C C3 . HTG MG 34 . ? 48.606 -12.871 -42.453 1.00 80.27 ? 625 HTG b C3 1 +HETATM 57310 O O3 . HTG MG 34 . ? 49.843 -12.257 -42.834 1.00 92.25 ? 625 HTG b O3 1 +HETATM 57311 C C4 . HTG MG 34 . ? 47.718 -13.022 -43.678 1.00 97.71 ? 625 HTG b C4 1 +HETATM 57312 O O4 . HTG MG 34 . ? 47.433 -11.719 -44.221 1.00 93.88 ? 625 HTG b O4 1 +HETATM 57313 C C5 . HTG MG 34 . ? 46.417 -13.779 -43.389 1.00 77.62 ? 625 HTG b C5 1 +HETATM 57314 O O5 . HTG MG 34 . ? 46.495 -14.813 -42.389 1.00 78.73 ? 625 HTG b O5 1 +HETATM 57315 C C6 . HTG MG 34 . ? 45.952 -14.455 -44.678 1.00 92.64 ? 625 HTG b C6 1 +HETATM 57316 O O6 . HTG MG 34 . ? 45.164 -13.563 -45.476 1.00 110.61 ? 625 HTG b O6 1 +HETATM 57317 C "C1'" . HTG MG 34 . ? 45.880 -16.724 -40.280 1.00 73.59 ? 625 HTG b "C1'" 1 +HETATM 57318 C "C2'" . HTG MG 34 . ? 45.679 -18.187 -39.919 1.00 69.34 ? 625 HTG b "C2'" 1 +HETATM 57319 C "C3'" . HTG MG 34 . ? 45.018 -18.363 -38.558 1.00 68.08 ? 625 HTG b "C3'" 1 +HETATM 57320 C "C4'" . HTG MG 34 . ? 44.460 -19.776 -38.466 1.00 71.08 ? 625 HTG b "C4'" 1 +HETATM 57321 C "C5'" . HTG MG 34 . ? 44.086 -20.146 -37.036 1.00 73.96 ? 625 HTG b "C5'" 1 +HETATM 57322 C "C6'" . HTG MG 34 . ? 43.815 -21.644 -36.914 1.00 72.85 ? 625 HTG b "C6'" 1 +HETATM 57323 C "C7'" . HTG MG 34 . ? 43.764 -22.078 -35.459 1.00 88.30 ? 625 HTG b "C7'" 1 +HETATM 57324 C C10 . UNL NG 30 . ? 55.743 -9.882 -32.901 1.00 94.31 ? 626 UNL b C10 1 +HETATM 57325 C C11 . UNL NG 30 . ? 56.601 -10.058 -31.657 1.00 95.22 ? 626 UNL b C11 1 +HETATM 57326 C C12 . UNL NG 30 . ? 55.740 -10.222 -30.406 1.00 92.36 ? 626 UNL b C12 1 +HETATM 57327 C C13 . UNL NG 30 . ? 54.846 -9.003 -30.204 1.00 85.22 ? 626 UNL b C13 1 +HETATM 57328 C C14 . UNL NG 30 . ? 54.079 -8.998 -28.875 1.00 84.94 ? 626 UNL b C14 1 +HETATM 57329 C C15 . UNL NG 30 . ? 54.898 -8.442 -27.709 1.00 75.22 ? 626 UNL b C15 1 +HETATM 57330 C C16 . UNL NG 30 . ? 54.065 -8.234 -26.440 1.00 70.01 ? 626 UNL b C16 1 +HETATM 57331 C C17 . UNL NG 30 . ? 54.964 -8.221 -25.199 1.00 73.80 ? 626 UNL b C17 1 +HETATM 57332 C C18 . UNL NG 30 . ? 54.174 -8.265 -23.888 1.00 68.91 ? 626 UNL b C18 1 +HETATM 57333 C C19 . UNL NG 30 . ? 55.064 -8.710 -22.730 1.00 87.65 ? 626 UNL b C19 1 +HETATM 57334 C C20 . UNL NG 30 . ? 54.380 -9.758 -21.849 1.00 97.15 ? 626 UNL b C20 1 +HETATM 57335 C C21 . UNL NG 30 . ? 55.382 -10.747 -21.249 1.00 104.64 ? 626 UNL b C21 1 +HETATM 57336 C C22 . UNL NG 30 . ? 54.753 -12.093 -20.945 1.00 77.66 ? 626 UNL b C22 1 +HETATM 57337 C C23 . UNL NG 30 . ? 59.284 -14.365 -32.171 1.00 154.70 ? 626 UNL b C23 1 +HETATM 57338 C C24 . UNL NG 30 . ? 58.850 -13.070 -31.513 1.00 130.72 ? 626 UNL b C24 1 +HETATM 57339 C C25 . UNL NG 30 . ? 59.818 -12.709 -30.385 1.00 130.88 ? 626 UNL b C25 1 +HETATM 57340 C C26 . UNL NG 30 . ? 59.473 -11.370 -29.736 1.00 96.59 ? 626 UNL b C26 1 +HETATM 57341 C C27 . UNL NG 30 . ? 60.132 -11.218 -28.369 1.00 92.48 ? 626 UNL b C27 1 +HETATM 57342 C C28 . UNL NG 30 . ? 59.104 -11.366 -27.253 1.00 96.21 ? 626 UNL b C28 1 +HETATM 57343 C C29 . UNL NG 30 . ? 59.632 -10.841 -25.919 1.00 103.27 ? 626 UNL b C29 1 +HETATM 57344 C C30 . UNL NG 30 . ? 58.516 -10.689 -24.889 1.00 96.87 ? 626 UNL b C30 1 +HETATM 57345 C C31 . UNL NG 30 . ? 59.081 -10.528 -23.480 1.00 97.04 ? 626 UNL b C31 1 +HETATM 57346 C C4 . UNL NG 30 . ? 57.848 -14.013 -36.069 1.00 156.72 ? 626 UNL b C4 1 +HETATM 57347 C C5 . UNL NG 30 . ? 57.012 -13.731 -34.821 1.00 161.84 ? 626 UNL b C5 1 +HETATM 57348 C C6 . UNL NG 30 . ? 57.345 -14.759 -33.741 1.00 152.31 ? 626 UNL b C6 1 +HETATM 57349 C C7 . UNL NG 30 . ? 56.956 -11.274 -35.073 1.00 151.62 ? 626 UNL b C7 1 +HETATM 57350 C C8 . UNL NG 30 . ? 57.546 -9.936 -34.689 1.00 115.47 ? 626 UNL b C8 1 +HETATM 57351 C C9 . UNL NG 30 . ? 56.482 -9.105 -33.988 1.00 102.94 ? 626 UNL b C9 1 +HETATM 57352 O O10 . UNL NG 30 . ? 60.105 -15.080 -31.616 1.00 146.64 ? 626 UNL b O10 1 +HETATM 57353 O O6 . UNL NG 30 . ? 57.629 -15.354 -36.507 1.00 148.94 ? 626 UNL b O6 1 +HETATM 57354 O O7 . UNL NG 30 . ? 57.315 -12.441 -34.276 1.00 173.04 ? 626 UNL b O7 1 +HETATM 57355 O O8 . UNL NG 30 . ? 58.752 -14.769 -33.474 1.00 158.26 ? 626 UNL b O8 1 +HETATM 57356 O O9 . UNL NG 30 . ? 56.181 -11.375 -36.014 1.00 161.19 ? 626 UNL b O9 1 +HETATM 57357 C C1B . LMT OG 31 . ? 22.752 -8.786 -41.261 1.00 142.45 ? 627 LMT b C1B 1 +HETATM 57358 O O1B . LMT OG 31 . ? 23.995 -9.238 -40.813 1.00 167.07 ? 627 LMT b O1B 1 +HETATM 57359 C "C1'" . LMT OG 31 . ? 25.669 -11.096 -37.432 1.00 128.24 ? 627 LMT b "C1'" 1 +HETATM 57360 C "C2'" . LMT OG 31 . ? 24.767 -11.988 -38.336 1.00 138.54 ? 627 LMT b "C2'" 1 +HETATM 57361 C "C3'" . LMT OG 31 . ? 24.524 -11.318 -39.726 1.00 155.94 ? 627 LMT b "C3'" 1 +HETATM 57362 C "C4'" . LMT OG 31 . ? 24.044 -9.866 -39.546 1.00 162.93 ? 627 LMT b "C4'" 1 +HETATM 57363 C "C5'" . LMT OG 31 . ? 25.160 -9.213 -38.697 1.00 142.35 ? 627 LMT b "C5'" 1 +HETATM 57364 C "C6'" . LMT OG 31 . ? 25.107 -7.708 -38.635 1.00 141.12 ? 627 LMT b "C6'" 1 +HETATM 57365 O "O1'" . LMT OG 31 . ? 25.678 -11.545 -36.131 1.00 108.59 ? 627 LMT b "O1'" 1 +HETATM 57366 O "O2'" . LMT OG 31 . ? 25.388 -13.199 -38.554 1.00 131.79 ? 627 LMT b "O2'" 1 +HETATM 57367 O "O3'" . LMT OG 31 . ? 23.642 -12.039 -40.499 1.00 147.00 ? 627 LMT b "O3'" 1 +HETATM 57368 O "O5'" . LMT OG 31 . ? 25.158 -9.760 -37.396 1.00 148.82 ? 627 LMT b "O5'" 1 +HETATM 57369 O "O6'" . LMT OG 31 . ? 24.635 -7.389 -37.379 1.00 145.41 ? 627 LMT b "O6'" 1 +HETATM 57370 C C1 . LMT OG 31 . ? 26.650 -12.532 -35.857 1.00 85.84 ? 627 LMT b C1 1 +HETATM 57371 C C2 . LMT OG 31 . ? 27.237 -12.180 -34.537 1.00 59.51 ? 627 LMT b C2 1 +HETATM 57372 C C3 . LMT OG 31 . ? 27.832 -13.319 -33.763 1.00 64.55 ? 627 LMT b C3 1 +HETATM 57373 C C4 . LMT OG 31 . ? 29.319 -13.320 -33.969 1.00 62.70 ? 627 LMT b C4 1 +HETATM 57374 C C5 . LMT OG 31 . ? 29.942 -14.526 -33.349 1.00 70.40 ? 627 LMT b C5 1 +HETATM 57375 C C6 . LMT OG 31 . ? 30.627 -14.201 -32.065 1.00 78.63 ? 627 LMT b C6 1 +HETATM 57376 C C7 . LMT OG 31 . ? 31.338 -15.420 -31.536 1.00 100.23 ? 627 LMT b C7 1 +HETATM 57377 C C8 . LMT OG 31 . ? 30.991 -15.627 -30.095 1.00 74.56 ? 627 LMT b C8 1 +HETATM 57378 C C9 . LMT OG 31 . ? 32.111 -16.199 -29.277 1.00 87.49 ? 627 LMT b C9 1 +HETATM 57379 C C10 . LMT OG 31 . ? 31.693 -17.560 -28.781 1.00 79.25 ? 627 LMT b C10 1 +HETATM 57380 C C11 . LMT OG 31 . ? 30.650 -17.466 -27.711 1.00 64.38 ? 627 LMT b C11 1 +HETATM 57381 C C12 . LMT OG 31 . ? 30.478 -18.789 -27.031 1.00 69.63 ? 627 LMT b C12 1 +HETATM 57382 C C1 . GOL PG 27 . ? 26.620 25.131 -26.561 1.00 88.35 ? 628 GOL b C1 1 +HETATM 57383 O O1 . GOL PG 27 . ? 27.526 26.202 -26.488 1.00 92.22 ? 628 GOL b O1 1 +HETATM 57384 C C2 . GOL PG 27 . ? 25.415 25.660 -27.365 1.00 78.70 ? 628 GOL b C2 1 +HETATM 57385 O O2 . GOL PG 27 . ? 24.911 26.882 -26.825 1.00 89.94 ? 628 GOL b O2 1 +HETATM 57386 C C3 . GOL PG 27 . ? 26.019 25.831 -28.772 1.00 79.02 ? 628 GOL b C3 1 +HETATM 57387 O O3 . GOL PG 27 . ? 27.154 26.623 -28.600 1.00 92.17 ? 628 GOL b O3 1 +HETATM 57388 O O1 A LHG QG 32 . ? 22.815 -17.410 3.623 0.40 54.57 ? 629 LHG b O1 1 +HETATM 57389 O O1 B LHG QG 32 . ? 22.892 -17.379 3.656 0.60 54.71 ? 629 LHG b O1 1 +HETATM 57390 C C1 A LHG QG 32 . ? 22.037 -16.672 4.577 0.40 51.57 ? 629 LHG b C1 1 +HETATM 57391 C C1 B LHG QG 32 . ? 22.127 -16.630 4.603 0.60 51.51 ? 629 LHG b C1 1 +HETATM 57392 C C2 A LHG QG 32 . ? 21.935 -17.444 5.895 0.40 55.18 ? 629 LHG b C2 1 +HETATM 57393 C C2 B LHG QG 32 . ? 22.011 -17.447 5.886 0.60 55.14 ? 629 LHG b C2 1 +HETATM 57394 O O2 A LHG QG 32 . ? 21.068 -18.561 5.715 0.40 54.27 ? 629 LHG b O2 1 +HETATM 57395 O O2 B LHG QG 32 . ? 21.105 -18.535 5.672 0.60 54.32 ? 629 LHG b O2 1 +HETATM 57396 C C3 A LHG QG 32 . ? 21.348 -16.547 6.983 0.40 53.53 ? 629 LHG b C3 1 +HETATM 57397 C C3 B LHG QG 32 . ? 21.487 -16.557 7.007 0.60 53.52 ? 629 LHG b C3 1 +HETATM 57398 O O3 A LHG QG 32 . ? 22.343 -15.578 7.284 0.40 56.36 ? 629 LHG b O3 1 +HETATM 57399 O O3 B LHG QG 32 . ? 22.476 -15.563 7.231 0.60 56.64 ? 629 LHG b O3 1 +HETATM 57400 P P A LHG QG 32 . ? 21.996 -14.077 7.739 0.40 58.16 ? 629 LHG b P 1 +HETATM 57401 P P B LHG QG 32 . ? 22.085 -14.086 7.716 0.60 58.08 ? 629 LHG b P 1 +HETATM 57402 O O4 A LHG QG 32 . ? 20.866 -14.057 8.729 0.40 53.83 ? 629 LHG b O4 1 +HETATM 57403 O O4 B LHG QG 32 . ? 20.918 -14.146 8.667 0.60 53.78 ? 629 LHG b O4 1 +HETATM 57404 O O5 A LHG QG 32 . ? 23.311 -13.406 8.031 0.40 62.56 ? 629 LHG b O5 1 +HETATM 57405 O O5 B LHG QG 32 . ? 23.377 -13.421 8.091 0.60 62.75 ? 629 LHG b O5 1 +HETATM 57406 O O6 A LHG QG 32 . ? 21.457 -13.436 6.372 0.40 65.49 ? 629 LHG b O6 1 +HETATM 57407 O O6 B LHG QG 32 . ? 21.606 -13.391 6.354 0.60 65.91 ? 629 LHG b O6 1 +HETATM 57408 C C4 A LHG QG 32 . ? 20.176 -12.833 6.277 0.40 58.88 ? 629 LHG b C4 1 +HETATM 57409 C C4 B LHG QG 32 . ? 20.292 -12.864 6.225 0.60 59.02 ? 629 LHG b C4 1 +HETATM 57410 C C5 A LHG QG 32 . ? 20.044 -12.440 4.818 0.40 54.21 ? 629 LHG b C5 1 +HETATM 57411 C C5 B LHG QG 32 . ? 20.147 -12.393 4.785 0.60 53.79 ? 629 LHG b C5 1 +HETATM 57412 C C6 A LHG QG 32 . ? 18.592 -12.555 4.339 0.40 56.61 ? 629 LHG b C6 1 +HETATM 57413 C C6 B LHG QG 32 . ? 18.673 -12.466 4.382 0.60 56.66 ? 629 LHG b C6 1 +HETATM 57414 O O7 A LHG QG 32 . ? 20.471 -11.099 4.719 0.40 61.17 ? 629 LHG b O7 1 +HETATM 57415 O O7 B LHG QG 32 . ? 20.602 -11.051 4.724 0.60 60.97 ? 629 LHG b O7 1 +HETATM 57416 C C7 A LHG QG 32 . ? 21.520 -10.900 3.752 0.40 63.72 ? 629 LHG b C7 1 +HETATM 57417 C C7 B LHG QG 32 . ? 21.586 -10.814 3.690 0.60 63.97 ? 629 LHG b C7 1 +HETATM 57418 O O9 A LHG QG 32 . ? 21.842 -11.837 3.036 0.40 64.13 ? 629 LHG b O9 1 +HETATM 57419 O O9 B LHG QG 32 . ? 21.874 -11.719 2.920 0.60 64.21 ? 629 LHG b O9 1 +HETATM 57420 C C8 A LHG QG 32 . ? 22.155 -9.532 3.660 0.40 57.19 ? 629 LHG b C8 1 +HETATM 57421 C C8 B LHG QG 32 . ? 22.212 -9.441 3.577 0.60 56.97 ? 629 LHG b C8 1 +HETATM 57422 C C9 A LHG QG 32 . ? 21.512 -8.754 2.517 0.40 62.73 ? 629 LHG b C9 1 +HETATM 57423 C C9 B LHG QG 32 . ? 21.528 -8.661 2.462 0.60 62.78 ? 629 LHG b C9 1 +HETATM 57424 C C10 A LHG QG 32 . ? 20.147 -8.217 2.928 0.40 60.12 ? 629 LHG b C10 1 +HETATM 57425 C C10 B LHG QG 32 . ? 20.107 -8.328 2.881 0.60 60.24 ? 629 LHG b C10 1 +HETATM 57426 O O8 A LHG QG 32 . ? 18.462 -11.914 3.063 0.40 57.62 ? 629 LHG b O8 1 +HETATM 57427 O O8 B LHG QG 32 . ? 18.505 -11.932 3.068 0.60 57.64 ? 629 LHG b O8 1 +HETATM 57428 C C23 A LHG QG 32 . ? 18.950 -12.620 1.918 0.40 60.03 ? 629 LHG b C23 1 +HETATM 57429 C C23 B LHG QG 32 . ? 18.911 -12.744 1.950 0.60 60.14 ? 629 LHG b C23 1 +HETATM 57430 O O10 A LHG QG 32 . ? 19.624 -13.620 2.108 0.40 64.88 ? 629 LHG b O10 1 +HETATM 57431 O O10 B LHG QG 32 . ? 19.492 -13.793 2.178 0.60 64.79 ? 629 LHG b O10 1 +HETATM 57432 C C24 A LHG QG 32 . ? 18.639 -12.140 0.524 0.40 63.66 ? 629 LHG b C24 1 +HETATM 57433 C C24 B LHG QG 32 . ? 18.614 -12.297 0.538 0.60 64.02 ? 629 LHG b C24 1 +HETATM 57434 C C11 A LHG QG 32 . ? 19.352 -7.775 1.704 0.40 58.72 ? 629 LHG b C11 1 +HETATM 57435 C C11 B LHG QG 32 . ? 19.333 -7.737 1.716 0.60 58.75 ? 629 LHG b C11 1 +HETATM 57436 C C12 A LHG QG 32 . ? 17.874 -8.052 1.945 0.40 59.84 ? 629 LHG b C12 1 +HETATM 57437 C C12 B LHG QG 32 . ? 17.850 -7.999 1.921 0.60 59.89 ? 629 LHG b C12 1 +HETATM 57438 C C13 A LHG QG 32 . ? 16.950 -7.135 1.151 0.40 61.69 ? 629 LHG b C13 1 +HETATM 57439 C C13 B LHG QG 32 . ? 16.980 -7.062 1.099 0.60 61.73 ? 629 LHG b C13 1 +HETATM 57440 C C14 A LHG QG 32 . ? 15.530 -7.693 1.218 0.40 58.09 ? 629 LHG b C14 1 +HETATM 57441 C C14 B LHG QG 32 . ? 15.601 -7.681 0.937 0.60 58.52 ? 629 LHG b C14 1 +HETATM 57442 C C15 A LHG QG 32 . ? 14.514 -6.563 1.301 0.40 60.79 ? 629 LHG b C15 1 +HETATM 57443 C C15 B LHG QG 32 . ? 14.519 -6.667 1.268 0.60 60.83 ? 629 LHG b C15 1 +HETATM 57444 C C16 A LHG QG 32 . ? 13.340 -6.816 0.362 0.40 62.00 ? 629 LHG b C16 1 +HETATM 57445 C C16 B LHG QG 32 . ? 13.299 -6.858 0.376 0.60 62.08 ? 629 LHG b C16 1 +HETATM 57446 C C17 A LHG QG 32 . ? 13.263 -5.674 -0.637 0.40 63.54 ? 629 LHG b C17 1 +HETATM 57447 C C17 B LHG QG 32 . ? 13.171 -5.679 -0.576 0.60 63.63 ? 629 LHG b C17 1 +HETATM 57448 C C18 A LHG QG 32 . ? 12.129 -5.877 -1.628 0.40 68.39 ? 629 LHG b C18 1 +HETATM 57449 C C18 B LHG QG 32 . ? 12.046 -5.917 -1.571 0.60 68.68 ? 629 LHG b C18 1 +HETATM 57450 C C19 A LHG QG 32 . ? 10.918 -5.030 -1.270 0.40 60.11 ? 629 LHG b C19 1 +HETATM 57451 C C19 B LHG QG 32 . ? 10.833 -5.062 -1.238 0.60 60.14 ? 629 LHG b C19 1 +HETATM 57452 C C20 A LHG QG 32 . ? 11.077 -3.609 -1.780 0.40 59.95 ? 629 LHG b C20 1 +HETATM 57453 C C20 B LHG QG 32 . ? 11.067 -3.630 -1.675 0.60 59.99 ? 629 LHG b C20 1 +HETATM 57454 C C21 A LHG QG 32 . ? 9.822 -2.820 -1.435 0.40 54.84 ? 629 LHG b C21 1 +HETATM 57455 C C21 B LHG QG 32 . ? 9.754 -2.872 -1.585 0.60 54.74 ? 629 LHG b C21 1 +HETATM 57456 C C22 A LHG QG 32 . ? 9.981 -1.355 -1.776 0.40 66.77 ? 629 LHG b C22 1 +HETATM 57457 C C22 B LHG QG 32 . ? 9.970 -1.434 -1.984 0.60 67.32 ? 629 LHG b C22 1 +HETATM 57458 C C25 A LHG QG 32 . ? 19.810 -12.493 -0.381 0.40 57.08 ? 629 LHG b C25 1 +HETATM 57459 C C25 B LHG QG 32 . ? 19.833 -12.503 -0.352 0.60 57.03 ? 629 LHG b C25 1 +HETATM 57460 C C26 A LHG QG 32 . ? 19.468 -12.261 -1.847 0.40 62.63 ? 629 LHG b C26 1 +HETATM 57461 C C26 B LHG QG 32 . ? 19.520 -12.133 -1.800 0.60 62.71 ? 629 LHG b C26 1 +HETATM 57462 C C27 A LHG QG 32 . ? 20.744 -12.019 -2.635 0.40 59.23 ? 629 LHG b C27 1 +HETATM 57463 C C27 B LHG QG 32 . ? 20.808 -12.011 -2.612 0.60 59.26 ? 629 LHG b C27 1 +HETATM 57464 C C28 A LHG QG 32 . ? 20.580 -12.459 -4.069 0.40 59.24 ? 629 LHG b C28 1 +HETATM 57465 C C28 B LHG QG 32 . ? 20.606 -12.381 -4.066 0.60 59.14 ? 629 LHG b C28 1 +HETATM 57466 C C29 A LHG QG 32 . ? 21.848 -12.173 -4.861 0.40 69.13 ? 629 LHG b C29 1 +HETATM 57467 C C29 B LHG QG 32 . ? 21.893 -12.173 -4.858 0.60 69.20 ? 629 LHG b C29 1 +HETATM 57468 C C30 A LHG QG 32 . ? 22.074 -13.333 -5.819 0.40 66.77 ? 629 LHG b C30 1 +HETATM 57469 C C30 B LHG QG 32 . ? 22.126 -13.348 -5.806 0.60 66.82 ? 629 LHG b C30 1 +HETATM 57470 C C31 A LHG QG 32 . ? 22.946 -12.948 -6.997 0.40 63.12 ? 629 LHG b C31 1 +HETATM 57471 C C31 B LHG QG 32 . ? 22.912 -12.949 -7.047 0.60 63.13 ? 629 LHG b C31 1 +HETATM 57472 C C32 A LHG QG 32 . ? 23.230 -14.185 -7.829 0.40 53.95 ? 629 LHG b C32 1 +HETATM 57473 C C32 B LHG QG 32 . ? 23.227 -14.167 -7.905 0.60 53.78 ? 629 LHG b C32 1 +HETATM 57474 C C33 A LHG QG 32 . ? 23.527 -13.824 -9.280 0.40 62.28 ? 629 LHG b C33 1 +HETATM 57475 C C33 B LHG QG 32 . ? 23.724 -13.748 -9.283 0.60 62.40 ? 629 LHG b C33 1 +HETATM 57476 C C34 A LHG QG 32 . ? 24.589 -14.752 -9.849 0.40 69.05 ? 629 LHG b C34 1 +HETATM 57477 C C34 B LHG QG 32 . ? 24.579 -14.848 -9.896 0.60 69.18 ? 629 LHG b C34 1 +HETATM 57478 C C35 A LHG QG 32 . ? 24.631 -14.774 -11.371 0.40 72.74 ? 629 LHG b C35 1 +HETATM 57479 C C35 B LHG QG 32 . ? 24.609 -14.815 -11.417 0.60 72.71 ? 629 LHG b C35 1 +HETATM 57480 C C36 A LHG QG 32 . ? 25.227 -13.502 -11.965 0.40 83.90 ? 629 LHG b C36 1 +HETATM 57481 C C36 B LHG QG 32 . ? 25.250 -13.545 -11.959 0.60 84.00 ? 629 LHG b C36 1 +HETATM 57482 C C37 A LHG QG 32 . ? 25.997 -13.873 -13.232 0.40 83.77 ? 629 LHG b C37 1 +HETATM 57483 C C37 B LHG QG 32 . ? 25.936 -13.851 -13.287 0.60 83.78 ? 629 LHG b C37 1 +HETATM 57484 C C38 A LHG QG 32 . ? 26.209 -12.692 -14.160 0.40 95.46 ? 629 LHG b C38 1 +HETATM 57485 C C38 B LHG QG 32 . ? 26.190 -12.593 -14.091 0.60 95.66 ? 629 LHG b C38 1 +HETATM 57486 MG MG . CLA RG 23 . ? -25.311 26.954 16.316 1.00 66.30 ? 501 CLA c MG 1 +HETATM 57487 C CHA . CLA RG 23 . ? -24.279 29.797 14.597 1.00 67.68 ? 501 CLA c CHA 1 +HETATM 57488 C CHB . CLA RG 23 . ? -24.823 25.187 13.458 1.00 57.50 ? 501 CLA c CHB 1 +HETATM 57489 C CHC . CLA RG 23 . ? -25.806 24.126 18.158 1.00 63.50 ? 501 CLA c CHC 1 +HETATM 57490 C CHD . CLA RG 23 . ? -25.211 28.918 19.406 1.00 66.08 ? 501 CLA c CHD 1 +HETATM 57491 N NA . CLA RG 23 . ? -24.635 27.391 14.380 1.00 69.95 ? 501 CLA c NA 1 +HETATM 57492 C C1A . CLA RG 23 . ? -24.341 28.514 13.832 1.00 59.26 ? 501 CLA c C1A 1 +HETATM 57493 C C2A . CLA RG 23 . ? -24.004 28.495 12.356 1.00 64.28 ? 501 CLA c C2A 1 +HETATM 57494 C C3A . CLA RG 23 . ? -24.215 27.036 12.006 1.00 56.18 ? 501 CLA c C3A 1 +HETATM 57495 C C4A . CLA RG 23 . ? -24.583 26.502 13.369 1.00 59.50 ? 501 CLA c C4A 1 +HETATM 57496 C CMA . CLA RG 23 . ? -25.415 26.928 11.076 1.00 60.55 ? 501 CLA c CMA 1 +HETATM 57497 C CAA . CLA RG 23 . ? -22.529 28.862 12.126 1.00 60.11 ? 501 CLA c CAA 1 +HETATM 57498 C CBA . CLA RG 23 . ? -21.518 28.231 13.088 1.00 60.92 ? 501 CLA c CBA 1 +HETATM 57499 C CGA . CLA RG 23 . ? -21.021 26.857 12.657 1.00 67.44 ? 501 CLA c CGA 1 +HETATM 57500 O O1A . CLA RG 23 . ? -20.381 26.659 11.634 1.00 58.34 ? 501 CLA c O1A 1 +HETATM 57501 O O2A . CLA RG 23 . ? -21.269 25.717 13.502 1.00 66.93 ? 501 CLA c O2A 1 +HETATM 57502 N NB . CLA RG 23 . ? -25.276 24.952 15.874 1.00 65.67 ? 501 CLA c NB 1 +HETATM 57503 C C1B . CLA RG 23 . ? -25.189 24.400 14.655 1.00 72.01 ? 501 CLA c C1B 1 +HETATM 57504 C C2B . CLA RG 23 . ? -25.491 22.945 14.602 1.00 66.39 ? 501 CLA c C2B 1 +HETATM 57505 C C3B . CLA RG 23 . ? -25.789 22.647 16.014 1.00 74.08 ? 501 CLA c C3B 1 +HETATM 57506 C C4B . CLA RG 23 . ? -25.610 23.955 16.706 1.00 75.66 ? 501 CLA c C4B 1 +HETATM 57507 C CMB . CLA RG 23 . ? -25.523 21.977 13.449 1.00 59.03 ? 501 CLA c CMB 1 +HETATM 57508 C CAB . CLA RG 23 . ? -26.165 21.327 16.595 1.00 66.56 ? 501 CLA c CAB 1 +HETATM 57509 C CBB . CLA RG 23 . ? -25.461 20.803 17.572 1.00 73.29 ? 501 CLA c CBB 1 +HETATM 57510 N NC . CLA RG 23 . ? -25.491 26.617 18.347 1.00 69.54 ? 501 CLA c NC 1 +HETATM 57511 C C1C . CLA RG 23 . ? -25.635 25.398 18.890 1.00 66.58 ? 501 CLA c C1C 1 +HETATM 57512 C C2C . CLA RG 23 . ? -25.610 25.379 20.386 1.00 81.02 ? 501 CLA c C2C 1 +HETATM 57513 C C3C . CLA RG 23 . ? -25.429 26.798 20.736 1.00 76.64 ? 501 CLA c C3C 1 +HETATM 57514 C C4C . CLA RG 23 . ? -25.382 27.451 19.403 1.00 61.55 ? 501 CLA c C4C 1 +HETATM 57515 C CMC . CLA RG 23 . ? -25.739 24.211 21.324 1.00 67.28 ? 501 CLA c CMC 1 +HETATM 57516 C CAC . CLA RG 23 . ? -25.307 27.439 22.095 1.00 68.78 ? 501 CLA c CAC 1 +HETATM 57517 C CBC . CLA RG 23 . ? -23.822 27.474 22.410 1.00 55.65 ? 501 CLA c CBC 1 +HETATM 57518 N ND . CLA RG 23 . ? -24.834 28.825 16.958 1.00 69.52 ? 501 CLA c ND 1 +HETATM 57519 C C1D . CLA RG 23 . ? -24.908 29.608 18.159 1.00 70.70 ? 501 CLA c C1D 1 +HETATM 57520 C C2D . CLA RG 23 . ? -24.658 31.066 18.008 1.00 80.46 ? 501 CLA c C2D 1 +HETATM 57521 C C3D . CLA RG 23 . ? -24.415 31.109 16.535 1.00 68.98 ? 501 CLA c C3D 1 +HETATM 57522 C C4D . CLA RG 23 . ? -24.542 29.826 16.046 1.00 70.51 ? 501 CLA c C4D 1 +HETATM 57523 C CMD . CLA RG 23 . ? -24.618 32.290 18.886 1.00 64.87 ? 501 CLA c CMD 1 +HETATM 57524 C CAD . CLA RG 23 . ? -24.083 31.993 15.399 1.00 65.17 ? 501 CLA c CAD 1 +HETATM 57525 O OBD . CLA RG 23 . ? -23.896 33.249 15.505 1.00 65.50 ? 501 CLA c OBD 1 +HETATM 57526 C CBD . CLA RG 23 . ? -24.012 31.197 14.142 1.00 84.45 ? 501 CLA c CBD 1 +HETATM 57527 C CGD . CLA RG 23 . ? -25.098 31.678 13.202 1.00 64.83 ? 501 CLA c CGD 1 +HETATM 57528 O O1D . CLA RG 23 . ? -26.140 31.087 12.985 1.00 83.40 ? 501 CLA c O1D 1 +HETATM 57529 O O2D . CLA RG 23 . ? -24.977 32.914 12.502 1.00 76.97 ? 501 CLA c O2D 1 +HETATM 57530 C CED . CLA RG 23 . ? -26.207 33.461 12.032 1.00 93.12 ? 501 CLA c CED 1 +HETATM 57531 C C1 . CLA RG 23 . ? -20.977 24.405 13.034 1.00 75.37 ? 501 CLA c C1 1 +HETATM 57532 C C2 . CLA RG 23 . ? -21.698 23.420 13.929 1.00 70.76 ? 501 CLA c C2 1 +HETATM 57533 C C3 . CLA RG 23 . ? -21.020 22.446 14.549 1.00 65.50 ? 501 CLA c C3 1 +HETATM 57534 C C4 . CLA RG 23 . ? -19.543 22.292 14.342 1.00 61.18 ? 501 CLA c C4 1 +HETATM 57535 C C5 . CLA RG 23 . ? -21.745 21.473 15.445 1.00 71.85 ? 501 CLA c C5 1 +HETATM 57536 C C6 . CLA RG 23 . ? -21.723 20.048 14.920 1.00 58.99 ? 501 CLA c C6 1 +HETATM 57537 C C7 . CLA RG 23 . ? -22.513 19.176 15.877 1.00 69.46 ? 501 CLA c C7 1 +HETATM 57538 C C8 . CLA RG 23 . ? -22.768 17.805 15.276 1.00 69.47 ? 501 CLA c C8 1 +HETATM 57539 C C9 . CLA RG 23 . ? -23.733 17.908 14.104 1.00 67.88 ? 501 CLA c C9 1 +HETATM 57540 C C10 . CLA RG 23 . ? -23.321 16.888 16.356 1.00 66.17 ? 501 CLA c C10 1 +HETATM 57541 C C11 . CLA RG 23 . ? -22.212 16.407 17.292 1.00 71.71 ? 501 CLA c C11 1 +HETATM 57542 C C12 . CLA RG 23 . ? -22.743 15.413 18.329 1.00 77.29 ? 501 CLA c C12 1 +HETATM 57543 C C13 . CLA RG 23 . ? -21.787 15.249 19.511 1.00 67.46 ? 501 CLA c C13 1 +HETATM 57544 C C14 . CLA RG 23 . ? -20.594 14.394 19.115 1.00 61.68 ? 501 CLA c C14 1 +HETATM 57545 C C15 . CLA RG 23 . ? -22.516 14.642 20.717 1.00 80.46 ? 501 CLA c C15 1 +HETATM 57546 C C16 . CLA RG 23 . ? -23.050 13.235 20.461 1.00 70.49 ? 501 CLA c C16 1 +HETATM 57547 C C17 . CLA RG 23 . ? -23.619 12.602 21.729 1.00 70.61 ? 501 CLA c C17 1 +HETATM 57548 C C18 . CLA RG 23 . ? -24.211 11.227 21.420 1.00 79.97 ? 501 CLA c C18 1 +HETATM 57549 C C19 . CLA RG 23 . ? -25.081 10.706 22.557 1.00 76.07 ? 501 CLA c C19 1 +HETATM 57550 C C20 . CLA RG 23 . ? -23.119 10.220 21.088 1.00 74.41 ? 501 CLA c C20 1 +HETATM 57551 MG MG . CLA SG 23 . ? -12.268 27.421 17.094 1.00 58.75 ? 502 CLA c MG 1 +HETATM 57552 C CHA . CLA SG 23 . ? -15.186 28.468 15.605 1.00 56.27 ? 502 CLA c CHA 1 +HETATM 57553 C CHB . CLA SG 23 . ? -11.422 30.679 17.536 1.00 55.65 ? 502 CLA c CHB 1 +HETATM 57554 C CHC . CLA SG 23 . ? -9.668 26.340 19.016 1.00 47.86 ? 502 CLA c CHC 1 +HETATM 57555 C CHD . CLA SG 23 . ? -13.687 24.004 17.237 1.00 57.33 ? 502 CLA c CHD 1 +HETATM 57556 N NA . CLA SG 23 . ? -13.157 29.261 16.695 1.00 66.13 ? 502 CLA c NA 1 +HETATM 57557 C C1A . CLA SG 23 . ? -14.214 29.526 16.015 1.00 55.01 ? 502 CLA c C1A 1 +HETATM 57558 C C2A . CLA SG 23 . ? -14.507 30.987 15.747 1.00 61.06 ? 502 CLA c C2A 1 +HETATM 57559 C C3A . CLA SG 23 . ? -13.286 31.673 16.359 1.00 58.50 ? 502 CLA c C3A 1 +HETATM 57560 C C4A . CLA SG 23 . ? -12.574 30.457 16.898 1.00 55.64 ? 502 CLA c C4A 1 +HETATM 57561 C CMA . CLA SG 23 . ? -12.438 32.396 15.310 1.00 60.47 ? 502 CLA c CMA 1 +HETATM 57562 C CAA . CLA SG 23 . ? -15.770 31.435 16.502 1.00 65.45 ? 502 CLA c CAA 1 +HETATM 57563 C CBA . CLA SG 23 . ? -15.711 31.149 18.015 1.00 68.69 ? 502 CLA c CBA 1 +HETATM 57564 C CGA . CLA SG 23 . ? -17.090 31.259 18.636 1.00 67.93 ? 502 CLA c CGA 1 +HETATM 57565 O O1A . CLA SG 23 . ? -17.843 32.188 18.378 1.00 74.22 ? 502 CLA c O1A 1 +HETATM 57566 O O2A . CLA SG 23 . ? -17.554 30.237 19.548 1.00 66.37 ? 502 CLA c O2A 1 +HETATM 57567 N NB . CLA SG 23 . ? -10.795 28.377 18.133 1.00 52.12 ? 502 CLA c NB 1 +HETATM 57568 C C1B . CLA SG 23 . ? -10.535 29.684 18.165 1.00 50.76 ? 502 CLA c C1B 1 +HETATM 57569 C C2B . CLA SG 23 . ? -9.284 30.065 18.879 1.00 49.23 ? 502 CLA c C2B 1 +HETATM 57570 C C3B . CLA SG 23 . ? -8.787 28.730 19.312 1.00 55.77 ? 502 CLA c C3B 1 +HETATM 57571 C C4B . CLA SG 23 . ? -9.799 27.783 18.797 1.00 51.57 ? 502 CLA c C4B 1 +HETATM 57572 C CMB . CLA SG 23 . ? -8.688 31.431 19.106 1.00 54.84 ? 502 CLA c CMB 1 +HETATM 57573 C CAB . CLA SG 23 . ? -7.575 28.352 20.084 1.00 60.41 ? 502 CLA c CAB 1 +HETATM 57574 C CBB . CLA SG 23 . ? -6.397 28.842 19.732 1.00 72.77 ? 502 CLA c CBB 1 +HETATM 57575 N NC . CLA SG 23 . ? -11.831 25.593 17.966 1.00 54.12 ? 502 CLA c NC 1 +HETATM 57576 C C1C . CLA SG 23 . ? -10.677 25.348 18.632 1.00 52.14 ? 502 CLA c C1C 1 +HETATM 57577 C C2C . CLA SG 23 . ? -10.419 23.940 18.984 1.00 52.07 ? 502 CLA c C2C 1 +HETATM 57578 C C3C . CLA SG 23 . ? -11.620 23.271 18.450 1.00 50.97 ? 502 CLA c C3C 1 +HETATM 57579 C C4C . CLA SG 23 . ? -12.402 24.378 17.861 1.00 49.83 ? 502 CLA c C4C 1 +HETATM 57580 C CMC . CLA SG 23 . ? -9.234 23.331 19.700 1.00 52.62 ? 502 CLA c CMC 1 +HETATM 57581 C CAC . CLA SG 23 . ? -11.973 21.805 18.468 1.00 54.08 ? 502 CLA c CAC 1 +HETATM 57582 C CBC . CLA SG 23 . ? -11.267 21.254 17.236 1.00 49.55 ? 502 CLA c CBC 1 +HETATM 57583 N ND . CLA SG 23 . ? -13.972 26.423 16.640 1.00 49.44 ? 502 CLA c ND 1 +HETATM 57584 C C1D . CLA SG 23 . ? -14.455 25.076 16.609 1.00 52.49 ? 502 CLA c C1D 1 +HETATM 57585 C C2D . CLA SG 23 . ? -15.736 24.857 15.917 1.00 46.33 ? 502 CLA c C2D 1 +HETATM 57586 C C3D . CLA SG 23 . ? -16.027 26.260 15.496 1.00 52.05 ? 502 CLA c C3D 1 +HETATM 57587 C C4D . CLA SG 23 . ? -14.967 27.051 15.932 1.00 48.16 ? 502 CLA c C4D 1 +HETATM 57588 C CMD . CLA SG 23 . ? -16.552 23.621 15.674 1.00 56.45 ? 502 CLA c CMD 1 +HETATM 57589 C CAD . CLA SG 23 . ? -16.962 27.176 14.775 1.00 53.02 ? 502 CLA c CAD 1 +HETATM 57590 O OBD . CLA SG 23 . ? -18.049 26.795 14.216 1.00 63.18 ? 502 CLA c OBD 1 +HETATM 57591 C CBD . CLA SG 23 . ? -16.442 28.567 14.808 1.00 55.46 ? 502 CLA c CBD 1 +HETATM 57592 C CGD . CLA SG 23 . ? -16.010 28.978 13.420 1.00 61.67 ? 502 CLA c CGD 1 +HETATM 57593 O O1D . CLA SG 23 . ? -16.064 30.143 13.009 1.00 62.65 ? 502 CLA c O1D 1 +HETATM 57594 O O2D . CLA SG 23 . ? -15.484 27.996 12.503 1.00 62.92 ? 502 CLA c O2D 1 +HETATM 57595 C CED . CLA SG 23 . ? -15.274 28.406 11.155 1.00 60.72 ? 502 CLA c CED 1 +HETATM 57596 C C1 . CLA SG 23 . ? -18.903 30.216 19.996 1.00 71.76 ? 502 CLA c C1 1 +HETATM 57597 C C2 . CLA SG 23 . ? -19.004 30.781 21.396 1.00 73.25 ? 502 CLA c C2 1 +HETATM 57598 C C3 . CLA SG 23 . ? -19.500 30.052 22.419 1.00 75.94 ? 502 CLA c C3 1 +HETATM 57599 C C4 . CLA SG 23 . ? -19.984 28.645 22.216 1.00 69.52 ? 502 CLA c C4 1 +HETATM 57600 C C5 . CLA SG 23 . ? -19.628 30.635 23.816 1.00 82.10 ? 502 CLA c C5 1 +HETATM 57601 C C6 . CLA SG 23 . ? -21.091 30.958 24.138 1.00 68.18 ? 502 CLA c C6 1 +HETATM 57602 C C7 . CLA SG 23 . ? -21.627 31.935 23.092 1.00 67.58 ? 502 CLA c C7 1 +HETATM 57603 C C8 . CLA SG 23 . ? -23.093 32.317 23.247 1.00 72.03 ? 502 CLA c C8 1 +HETATM 57604 C C9 . CLA SG 23 . ? -24.033 31.123 23.123 1.00 68.45 ? 502 CLA c C9 1 +HETATM 57605 C C10 . CLA SG 23 . ? -23.373 33.371 22.184 1.00 76.36 ? 502 CLA c C10 1 +HETATM 57606 C C11 . CLA SG 23 . ? -24.778 33.948 22.272 1.00 76.58 ? 502 CLA c C11 1 +HETATM 57607 C C12 . CLA SG 23 . ? -24.825 35.202 21.417 1.00 81.23 ? 502 CLA c C12 1 +HETATM 57608 C C13 . CLA SG 23 . ? -26.246 35.685 21.186 1.00 85.57 ? 502 CLA c C13 1 +HETATM 57609 C C14 . CLA SG 23 . ? -26.380 36.224 19.766 1.00 89.54 ? 502 CLA c C14 1 +HETATM 57610 C C15 . CLA SG 23 . ? -26.575 36.777 22.197 1.00 92.65 ? 502 CLA c C15 1 +HETATM 57611 C C16 . CLA SG 23 . ? -28.040 37.188 22.119 1.00 95.74 ? 502 CLA c C16 1 +HETATM 57612 C C17 . CLA SG 23 . ? -28.426 38.158 23.229 1.00 88.33 ? 502 CLA c C17 1 +HETATM 57613 C C18 . CLA SG 23 . ? -29.803 38.751 22.943 1.00 106.72 ? 502 CLA c C18 1 +HETATM 57614 C C19 . CLA SG 23 . ? -29.949 40.129 23.572 1.00 112.02 ? 502 CLA c C19 1 +HETATM 57615 C C20 . CLA SG 23 . ? -30.916 37.820 23.415 1.00 99.13 ? 502 CLA c C20 1 +HETATM 57616 MG MG . CLA TG 23 . ? -19.019 34.948 23.968 1.00 71.17 ? 503 CLA c MG 1 +HETATM 57617 C CHA . CLA TG 23 . ? -18.011 35.097 20.638 1.00 79.42 ? 503 CLA c CHA 1 +HETATM 57618 C CHB . CLA TG 23 . ? -21.904 36.474 23.023 1.00 72.38 ? 503 CLA c CHB 1 +HETATM 57619 C CHC . CLA TG 23 . ? -20.294 34.027 26.965 1.00 78.95 ? 503 CLA c CHC 1 +HETATM 57620 C CHD . CLA TG 23 . ? -16.082 32.762 24.593 1.00 70.65 ? 503 CLA c CHD 1 +HETATM 57621 N NA . CLA TG 23 . ? -19.851 35.611 22.160 1.00 86.23 ? 503 CLA c NA 1 +HETATM 57622 C C1A . CLA TG 23 . ? -19.326 35.710 20.985 1.00 72.67 ? 503 CLA c C1A 1 +HETATM 57623 C C2A . CLA TG 23 . ? -20.074 36.511 19.940 1.00 81.47 ? 503 CLA c C2A 1 +HETATM 57624 C C3A . CLA TG 23 . ? -21.330 36.906 20.713 1.00 69.63 ? 503 CLA c C3A 1 +HETATM 57625 C C4A . CLA TG 23 . ? -21.003 36.296 22.055 1.00 75.73 ? 503 CLA c C4A 1 +HETATM 57626 C CMA . CLA TG 23 . ? -21.456 38.424 20.777 1.00 70.53 ? 503 CLA c CMA 1 +HETATM 57627 C CAA . CLA TG 23 . ? -20.380 35.774 18.620 1.00 62.64 ? 503 CLA c CAA 1 +HETATM 57628 C CBA . CLA TG 23 . ? -21.119 34.456 18.791 1.00 66.95 ? 503 CLA c CBA 1 +HETATM 57629 C CGA . CLA TG 23 . ? -20.809 33.499 17.650 1.00 74.00 ? 503 CLA c CGA 1 +HETATM 57630 O O1A . CLA TG 23 . ? -20.164 33.817 16.660 1.00 75.03 ? 503 CLA c O1A 1 +HETATM 57631 O O2A . CLA TG 23 . ? -21.287 32.138 17.735 1.00 65.88 ? 503 CLA c O2A 1 +HETATM 57632 N NB . CLA TG 23 . ? -20.838 35.229 24.868 1.00 69.38 ? 503 CLA c NB 1 +HETATM 57633 C C1B . CLA TG 23 . ? -21.873 35.926 24.397 1.00 93.84 ? 503 CLA c C1B 1 +HETATM 57634 C C2B . CLA TG 23 . ? -23.018 36.073 25.344 1.00 72.97 ? 503 CLA c C2B 1 +HETATM 57635 C C3B . CLA TG 23 . ? -22.534 35.338 26.520 1.00 90.35 ? 503 CLA c C3B 1 +HETATM 57636 C C4B . CLA TG 23 . ? -21.179 34.846 26.104 1.00 75.82 ? 503 CLA c C4B 1 +HETATM 57637 C CMB . CLA TG 23 . ? -24.333 36.788 25.195 1.00 77.41 ? 503 CLA c CMB 1 +HETATM 57638 C CAB . CLA TG 23 . ? -23.277 35.178 27.806 1.00 76.59 ? 503 CLA c CAB 1 +HETATM 57639 C CBB . CLA TG 23 . ? -23.161 34.117 28.566 1.00 90.16 ? 503 CLA c CBB 1 +HETATM 57640 N NC . CLA TG 23 . ? -18.299 33.712 25.471 1.00 78.16 ? 503 CLA c NC 1 +HETATM 57641 C C1C . CLA TG 23 . ? -19.027 33.381 26.564 1.00 66.13 ? 503 CLA c C1C 1 +HETATM 57642 C C2C . CLA TG 23 . ? -18.440 32.280 27.393 1.00 81.65 ? 503 CLA c C2C 1 +HETATM 57643 C C3C . CLA TG 23 . ? -17.197 31.934 26.675 1.00 65.15 ? 503 CLA c C3C 1 +HETATM 57644 C C4C . CLA TG 23 . ? -17.220 32.877 25.531 1.00 77.52 ? 503 CLA c C4C 1 +HETATM 57645 C CMC . CLA TG 23 . ? -18.946 31.643 28.662 1.00 81.88 ? 503 CLA c CMC 1 +HETATM 57646 C CAC . CLA TG 23 . ? -16.157 30.884 26.999 1.00 63.22 ? 503 CLA c CAC 1 +HETATM 57647 C CBC . CLA TG 23 . ? -16.600 29.597 26.334 1.00 65.46 ? 503 CLA c CBC 1 +HETATM 57648 N ND . CLA TG 23 . ? -17.468 34.058 22.964 1.00 77.18 ? 503 CLA c ND 1 +HETATM 57649 C C1D . CLA TG 23 . ? -16.281 33.301 23.250 1.00 73.01 ? 503 CLA c C1D 1 +HETATM 57650 C C2D . CLA TG 23 . ? -15.325 33.127 22.136 1.00 67.99 ? 503 CLA c C2D 1 +HETATM 57651 C C3D . CLA TG 23 . ? -16.061 33.871 21.088 1.00 73.07 ? 503 CLA c C3D 1 +HETATM 57652 C C4D . CLA TG 23 . ? -17.243 34.332 21.633 1.00 70.37 ? 503 CLA c C4D 1 +HETATM 57653 C CMD . CLA TG 23 . ? -13.997 32.438 21.948 1.00 62.57 ? 503 CLA c CMD 1 +HETATM 57654 C CAD . CLA TG 23 . ? -16.035 34.301 19.670 1.00 72.30 ? 503 CLA c CAD 1 +HETATM 57655 O OBD . CLA TG 23 . ? -15.081 34.043 18.876 1.00 60.54 ? 503 CLA c OBD 1 +HETATM 57656 C CBD . CLA TG 23 . ? -17.251 35.088 19.357 1.00 74.19 ? 503 CLA c CBD 1 +HETATM 57657 C CGD . CLA TG 23 . ? -16.848 36.492 19.034 1.00 71.83 ? 503 CLA c CGD 1 +HETATM 57658 O O1D . CLA TG 23 . ? -17.057 37.019 17.955 1.00 70.29 ? 503 CLA c O1D 1 +HETATM 57659 O O2D . CLA TG 23 . ? -16.191 37.284 20.026 1.00 68.61 ? 503 CLA c O2D 1 +HETATM 57660 C CED . CLA TG 23 . ? -16.053 38.658 19.722 1.00 63.87 ? 503 CLA c CED 1 +HETATM 57661 C C1 . CLA TG 23 . ? -20.861 31.181 16.777 1.00 60.37 ? 503 CLA c C1 1 +HETATM 57662 C C2 . CLA TG 23 . ? -21.513 29.848 17.060 1.00 58.72 ? 503 CLA c C2 1 +HETATM 57663 C C3 . CLA TG 23 . ? -20.787 28.711 17.036 1.00 69.46 ? 503 CLA c C3 1 +HETATM 57664 C C4 . CLA TG 23 . ? -19.323 28.755 16.722 1.00 55.30 ? 503 CLA c C4 1 +HETATM 57665 C C5 . CLA TG 23 . ? -21.435 27.378 17.307 1.00 69.68 ? 503 CLA c C5 1 +HETATM 57666 C C6 . CLA TG 23 . ? -21.589 27.085 18.787 1.00 77.61 ? 503 CLA c C6 1 +HETATM 57667 C C7 . CLA TG 23 . ? -22.084 25.655 19.026 1.00 86.63 ? 503 CLA c C7 1 +HETATM 57668 C C8 . CLA TG 23 . ? -21.254 24.538 18.390 1.00 73.69 ? 503 CLA c C8 1 +HETATM 57669 C C9 . CLA TG 23 . ? -21.786 23.188 18.870 1.00 66.85 ? 503 CLA c C9 1 +HETATM 57670 C C10 . CLA TG 23 . ? -19.763 24.660 18.704 1.00 62.17 ? 503 CLA c C10 1 +HETATM 57671 C C11 . CLA TG 23 . ? -19.420 24.459 20.183 1.00 60.00 ? 503 CLA c C11 1 +HETATM 57672 C C12 . CLA TG 23 . ? -18.174 25.265 20.562 1.00 70.35 ? 503 CLA c C12 1 +HETATM 57673 C C13 . CLA TG 23 . ? -16.935 24.787 19.801 1.00 60.31 ? 503 CLA c C13 1 +HETATM 57674 C C14 . CLA TG 23 . ? -16.681 23.308 20.044 1.00 56.05 ? 503 CLA c C14 1 +HETATM 57675 C C15 . CLA TG 23 . ? -15.693 25.598 20.157 1.00 53.93 ? 503 CLA c C15 1 +HETATM 57676 C C16 . CLA TG 23 . ? -15.846 27.076 19.813 1.00 52.37 ? 503 CLA c C16 1 +HETATM 57677 C C17 . CLA TG 23 . ? -14.518 27.816 19.961 1.00 49.88 ? 503 CLA c C17 1 +HETATM 57678 C C18 . CLA TG 23 . ? -14.095 28.011 21.417 1.00 63.89 ? 503 CLA c C18 1 +HETATM 57679 C C19 . CLA TG 23 . ? -15.194 28.675 22.251 1.00 57.98 ? 503 CLA c C19 1 +HETATM 57680 C C20 . CLA TG 23 . ? -12.801 28.821 21.491 1.00 59.30 ? 503 CLA c C20 1 +HETATM 57681 MG MG . CLA UG 23 . ? -5.072 35.777 14.808 1.00 62.45 ? 504 CLA c MG 1 +HETATM 57682 C CHA . CLA UG 23 . ? -3.797 38.353 12.874 1.00 56.03 ? 504 CLA c CHA 1 +HETATM 57683 C CHB . CLA UG 23 . ? -6.239 34.377 11.956 1.00 55.85 ? 504 CLA c CHB 1 +HETATM 57684 C CHC . CLA UG 23 . ? -5.718 33.004 16.612 1.00 64.45 ? 504 CLA c CHC 1 +HETATM 57685 C CHD . CLA UG 23 . ? -3.371 37.252 17.714 1.00 59.21 ? 504 CLA c CHD 1 +HETATM 57686 N NA . CLA UG 23 . ? -5.000 36.239 12.778 1.00 63.33 ? 504 CLA c NA 1 +HETATM 57687 C C1A . CLA UG 23 . ? -4.533 37.263 12.178 1.00 57.81 ? 504 CLA c C1A 1 +HETATM 57688 C C2A . CLA UG 23 . ? -4.667 37.311 10.680 1.00 58.06 ? 504 CLA c C2A 1 +HETATM 57689 C C3A . CLA UG 23 . ? -5.499 36.085 10.405 1.00 55.76 ? 504 CLA c C3A 1 +HETATM 57690 C C4A . CLA UG 23 . ? -5.592 35.533 11.806 1.00 58.63 ? 504 CLA c C4A 1 +HETATM 57691 C CMA . CLA UG 23 . ? -6.866 36.586 9.958 1.00 53.38 ? 504 CLA c CMA 1 +HETATM 57692 C CAA . CLA UG 23 . ? -3.264 37.038 10.090 1.00 59.59 ? 504 CLA c CAA 1 +HETATM 57693 C CBA . CLA UG 23 . ? -2.657 35.669 10.462 1.00 53.84 ? 504 CLA c CBA 1 +HETATM 57694 C CGA . CLA UG 23 . ? -1.166 35.528 10.167 1.00 57.25 ? 504 CLA c CGA 1 +HETATM 57695 O O1A . CLA UG 23 . ? -0.528 36.311 9.483 1.00 55.40 ? 504 CLA c O1A 1 +HETATM 57696 O O2A . CLA UG 23 . ? -0.457 34.413 10.751 1.00 58.32 ? 504 CLA c O2A 1 +HETATM 57697 N NB . CLA UG 23 . ? -5.842 33.947 14.327 1.00 59.43 ? 504 CLA c NB 1 +HETATM 57698 C C1B . CLA UG 23 . ? -6.413 33.591 13.180 1.00 60.40 ? 504 CLA c C1B 1 +HETATM 57699 C C2B . CLA UG 23 . ? -7.128 32.277 13.208 1.00 69.66 ? 504 CLA c C2B 1 +HETATM 57700 C C3B . CLA UG 23 . ? -6.942 31.880 14.630 1.00 59.94 ? 504 CLA c C3B 1 +HETATM 57701 C C4B . CLA UG 23 . ? -6.131 32.983 15.203 1.00 58.56 ? 504 CLA c C4B 1 +HETATM 57702 C CMB . CLA UG 23 . ? -7.855 31.562 12.097 1.00 58.50 ? 504 CLA c CMB 1 +HETATM 57703 C CAB . CLA UG 23 . ? -7.405 30.677 15.365 1.00 59.35 ? 504 CLA c CAB 1 +HETATM 57704 C CBB . CLA UG 23 . ? -8.652 30.263 15.264 1.00 71.98 ? 504 CLA c CBB 1 +HETATM 57705 N NC . CLA UG 23 . ? -4.659 35.274 16.761 1.00 58.27 ? 504 CLA c NC 1 +HETATM 57706 C C1C . CLA UG 23 . ? -4.941 34.070 17.273 1.00 62.38 ? 504 CLA c C1C 1 +HETATM 57707 C C2C . CLA UG 23 . ? -4.384 33.823 18.637 1.00 68.58 ? 504 CLA c C2C 1 +HETATM 57708 C C3C . CLA UG 23 . ? -3.693 35.089 18.950 1.00 74.58 ? 504 CLA c C3C 1 +HETATM 57709 C C4C . CLA UG 23 . ? -3.940 35.894 17.724 1.00 63.89 ? 504 CLA c C4C 1 +HETATM 57710 C CMC . CLA UG 23 . ? -4.500 32.594 19.485 1.00 59.22 ? 504 CLA c CMC 1 +HETATM 57711 C CAC . CLA UG 23 . ? -2.917 35.490 20.182 1.00 67.10 ? 504 CLA c CAC 1 +HETATM 57712 C CBC . CLA UG 23 . ? -1.453 35.217 19.887 1.00 59.25 ? 504 CLA c CBC 1 +HETATM 57713 N ND . CLA UG 23 . ? -3.870 37.346 15.281 1.00 66.25 ? 504 CLA c ND 1 +HETATM 57714 C C1D . CLA UG 23 . ? -3.271 37.949 16.435 1.00 65.15 ? 504 CLA c C1D 1 +HETATM 57715 C C2D . CLA UG 23 . ? -2.606 39.260 16.219 1.00 73.90 ? 504 CLA c C2D 1 +HETATM 57716 C C3D . CLA UG 23 . ? -2.835 39.405 14.747 1.00 62.09 ? 504 CLA c C3D 1 +HETATM 57717 C C4D . CLA UG 23 . ? -3.553 38.296 14.325 1.00 67.59 ? 504 CLA c C4D 1 +HETATM 57718 C CMD . CLA UG 23 . ? -1.887 40.254 17.091 1.00 63.80 ? 504 CLA c CMD 1 +HETATM 57719 C CAD . CLA UG 23 . ? -2.629 40.261 13.548 1.00 64.26 ? 504 CLA c CAD 1 +HETATM 57720 O OBD . CLA UG 23 . ? -2.015 41.376 13.554 1.00 62.76 ? 504 CLA c OBD 1 +HETATM 57721 C CBD . CLA UG 23 . ? -3.228 39.625 12.341 1.00 64.52 ? 504 CLA c CBD 1 +HETATM 57722 C CGD . CLA UG 23 . ? -4.270 40.544 11.756 1.00 68.94 ? 504 CLA c CGD 1 +HETATM 57723 O O1D . CLA UG 23 . ? -4.336 40.740 10.549 1.00 67.53 ? 504 CLA c O1D 1 +HETATM 57724 O O2D . CLA UG 23 . ? -5.201 41.243 12.627 1.00 66.80 ? 504 CLA c O2D 1 +HETATM 57725 C CED . CLA UG 23 . ? -6.254 42.021 12.057 1.00 61.34 ? 504 CLA c CED 1 +HETATM 57726 C C1 . CLA UG 23 . ? 0.869 33.998 10.446 1.00 59.74 ? 504 CLA c C1 1 +HETATM 57727 C C2 . CLA UG 23 . ? 0.882 32.511 10.730 1.00 65.22 ? 504 CLA c C2 1 +HETATM 57728 C C3 . CLA UG 23 . ? 1.550 31.987 11.771 1.00 78.03 ? 504 CLA c C3 1 +HETATM 57729 C C4 . CLA UG 23 . ? 2.343 32.853 12.701 1.00 80.10 ? 504 CLA c C4 1 +HETATM 57730 C C5 . CLA UG 23 . ? 1.513 30.504 12.021 1.00 79.51 ? 504 CLA c C5 1 +HETATM 57731 C C6 . CLA UG 23 . ? 2.864 29.924 12.417 1.00 104.79 ? 504 CLA c C6 1 +HETATM 57732 C C7 . CLA UG 23 . ? 2.786 28.398 12.533 1.00 104.77 ? 504 CLA c C7 1 +HETATM 57733 C C8 . CLA UG 23 . ? 2.054 27.979 13.805 1.00 106.62 ? 504 CLA c C8 1 +HETATM 57734 C C9 . CLA UG 23 . ? 2.674 28.654 15.026 1.00 97.42 ? 504 CLA c C9 1 +HETATM 57735 C C10 . CLA UG 23 . ? 2.098 26.461 13.944 1.00 105.87 ? 504 CLA c C10 1 +HETATM 57736 C C11 . CLA UG 23 . ? 1.193 25.946 15.066 1.00 110.35 ? 504 CLA c C11 1 +HETATM 57737 C C12 . CLA UG 23 . ? 1.205 24.417 15.115 1.00 100.37 ? 504 CLA c C12 1 +HETATM 57738 C C13 . CLA UG 23 . ? 0.310 23.807 16.199 1.00 107.87 ? 504 CLA c C13 1 +HETATM 57739 C C14 . CLA UG 23 . ? -0.684 24.826 16.758 1.00 107.34 ? 504 CLA c C14 1 +HETATM 57740 C C15 . CLA UG 23 . ? 1.161 23.192 17.315 1.00 126.92 ? 504 CLA c C15 1 +HETATM 57741 C C16 . CLA UG 23 . ? 1.421 21.690 17.121 1.00 142.16 ? 504 CLA c C16 1 +HETATM 57742 C C17 . CLA UG 23 . ? 2.378 21.103 18.171 1.00 134.15 ? 504 CLA c C17 1 +HETATM 57743 C C18 . CLA UG 23 . ? 2.719 19.634 17.916 1.00 85.97 ? 504 CLA c C18 1 +HETATM 57744 C C19 . CLA UG 23 . ? 1.510 18.738 18.134 1.00 101.89 ? 504 CLA c C19 1 +HETATM 57745 C C20 . CLA UG 23 . ? 3.857 19.158 18.805 1.00 103.61 ? 504 CLA c C20 1 +HETATM 57746 MG MG . CLA VG 23 . ? -13.002 6.410 18.965 1.00 57.27 ? 505 CLA c MG 1 +HETATM 57747 C CHA . CLA VG 23 . ? -13.632 4.391 21.760 1.00 63.20 ? 505 CLA c CHA 1 +HETATM 57748 C CHB . CLA VG 23 . ? -10.699 4.157 17.975 1.00 57.73 ? 505 CLA c CHB 1 +HETATM 57749 C CHC . CLA VG 23 . ? -12.908 8.057 15.964 1.00 54.69 ? 505 CLA c CHC 1 +HETATM 57750 C CHD . CLA VG 23 . ? -15.924 8.417 19.921 1.00 64.33 ? 505 CLA c CHD 1 +HETATM 57751 N NA . CLA VG 23 . ? -12.311 4.577 19.701 1.00 67.17 ? 505 CLA c NA 1 +HETATM 57752 C C1A . CLA VG 23 . ? -12.500 4.002 20.848 1.00 59.32 ? 505 CLA c C1A 1 +HETATM 57753 C C2A . CLA VG 23 . ? -11.563 2.863 21.212 1.00 55.43 ? 505 CLA c C2A 1 +HETATM 57754 C C3A . CLA VG 23 . ? -10.641 2.839 19.995 1.00 59.27 ? 505 CLA c C3A 1 +HETATM 57755 C C4A . CLA VG 23 . ? -11.264 3.923 19.171 1.00 63.92 ? 505 CLA c C4A 1 +HETATM 57756 C CMA . CLA VG 23 . ? -9.269 3.374 20.417 1.00 54.82 ? 505 CLA c CMA 1 +HETATM 57757 C CAA . CLA VG 23 . ? -12.238 1.485 21.374 1.00 60.80 ? 505 CLA c CAA 1 +HETATM 57758 C CBA . CLA VG 23 . ? -12.864 0.918 20.095 1.00 59.50 ? 505 CLA c CBA 1 +HETATM 57759 C CGA . CLA VG 23 . ? -14.187 1.590 19.810 1.00 63.33 ? 505 CLA c CGA 1 +HETATM 57760 O O1A . CLA VG 23 . ? -15.113 1.571 20.601 1.00 69.84 ? 505 CLA c O1A 1 +HETATM 57761 O O2A . CLA VG 23 . ? -14.376 2.315 18.584 1.00 68.97 ? 505 CLA c O2A 1 +HETATM 57762 N NB . CLA VG 23 . ? -11.939 6.143 17.224 1.00 63.93 ? 505 CLA c NB 1 +HETATM 57763 C C1B . CLA VG 23 . ? -11.079 5.162 16.962 1.00 53.67 ? 505 CLA c C1B 1 +HETATM 57764 C C2B . CLA VG 23 . ? -10.544 5.149 15.566 1.00 54.25 ? 505 CLA c C2B 1 +HETATM 57765 C C3B . CLA VG 23 . ? -11.210 6.316 14.968 1.00 58.14 ? 505 CLA c C3B 1 +HETATM 57766 C C4B . CLA VG 23 . ? -12.047 6.859 16.085 1.00 61.01 ? 505 CLA c C4B 1 +HETATM 57767 C CMB . CLA VG 23 . ? -9.575 4.209 14.907 1.00 51.26 ? 505 CLA c CMB 1 +HETATM 57768 C CAB . CLA VG 23 . ? -11.036 6.791 13.565 1.00 63.95 ? 505 CLA c CAB 1 +HETATM 57769 C CBB . CLA VG 23 . ? -11.398 7.982 13.158 1.00 68.75 ? 505 CLA c CBB 1 +HETATM 57770 N NC . CLA VG 23 . ? -14.222 7.856 18.117 1.00 59.42 ? 505 CLA c NC 1 +HETATM 57771 C C1C . CLA VG 23 . ? -13.919 8.489 16.957 1.00 71.25 ? 505 CLA c C1C 1 +HETATM 57772 C C2C . CLA VG 23 . ? -14.695 9.740 16.698 1.00 71.91 ? 505 CLA c C2C 1 +HETATM 57773 C C3C . CLA VG 23 . ? -15.592 9.839 17.869 1.00 75.19 ? 505 CLA c C3C 1 +HETATM 57774 C C4C . CLA VG 23 . ? -15.202 8.627 18.653 1.00 63.11 ? 505 CLA c C4C 1 +HETATM 57775 C CMC . CLA VG 23 . ? -14.615 10.689 15.533 1.00 67.64 ? 505 CLA c CMC 1 +HETATM 57776 C CAC . CLA VG 23 . ? -16.621 10.915 18.196 1.00 58.19 ? 505 CLA c CAC 1 +HETATM 57777 C CBC . CLA VG 23 . ? -17.989 10.340 17.917 1.00 60.82 ? 505 CLA c CBC 1 +HETATM 57778 N ND . CLA VG 23 . ? -14.446 6.464 20.410 1.00 61.19 ? 505 CLA c ND 1 +HETATM 57779 C C1D . CLA VG 23 . ? -15.576 7.267 20.751 1.00 65.54 ? 505 CLA c C1D 1 +HETATM 57780 C C2D . CLA VG 23 . ? -16.306 6.871 21.973 1.00 74.61 ? 505 CLA c C2D 1 +HETATM 57781 C C3D . CLA VG 23 . ? -15.512 5.675 22.376 1.00 66.44 ? 505 CLA c C3D 1 +HETATM 57782 C C4D . CLA VG 23 . ? -14.515 5.516 21.419 1.00 54.21 ? 505 CLA c C4D 1 +HETATM 57783 C CMD . CLA VG 23 . ? -17.502 7.412 22.689 1.00 62.55 ? 505 CLA c CMD 1 +HETATM 57784 C CAD . CLA VG 23 . ? -15.362 4.576 23.373 1.00 68.89 ? 505 CLA c CAD 1 +HETATM 57785 O OBD . CLA VG 23 . ? -16.107 4.366 24.399 1.00 67.94 ? 505 CLA c OBD 1 +HETATM 57786 C CBD . CLA VG 23 . ? -14.193 3.744 22.995 1.00 64.96 ? 505 CLA c CBD 1 +HETATM 57787 C CGD . CLA VG 23 . ? -13.250 3.762 24.160 1.00 52.69 ? 505 CLA c CGD 1 +HETATM 57788 O O1D . CLA VG 23 . ? -12.787 2.743 24.628 1.00 62.29 ? 505 CLA c O1D 1 +HETATM 57789 O O2D . CLA VG 23 . ? -12.846 4.988 24.796 1.00 64.80 ? 505 CLA c O2D 1 +HETATM 57790 C CED . CLA VG 23 . ? -11.811 4.878 25.770 1.00 56.73 ? 505 CLA c CED 1 +HETATM 57791 C C1 . CLA VG 23 . ? -15.663 2.818 18.225 1.00 68.17 ? 505 CLA c C1 1 +HETATM 57792 C C2 . CLA VG 23 . ? -15.557 3.340 16.808 1.00 69.13 ? 505 CLA c C2 1 +HETATM 57793 C C3 . CLA VG 23 . ? -15.909 4.598 16.494 1.00 76.57 ? 505 CLA c C3 1 +HETATM 57794 C C4 . CLA VG 23 . ? -16.452 5.520 17.543 1.00 73.89 ? 505 CLA c C4 1 +HETATM 57795 C C5 . CLA VG 23 . ? -15.780 5.087 15.073 1.00 74.80 ? 505 CLA c C5 1 +HETATM 57796 C C6 . CLA VG 23 . ? -14.650 4.391 14.315 1.00 71.72 ? 505 CLA c C6 1 +HETATM 57797 C C7 . CLA VG 23 . ? -14.518 5.004 12.916 1.00 89.43 ? 505 CLA c C7 1 +HETATM 57798 C C8 . CLA VG 23 . ? -13.809 4.102 11.911 1.00 58.88 ? 505 CLA c C8 1 +HETATM 57799 C C9 . CLA VG 23 . ? -13.525 4.890 10.635 1.00 91.93 ? 505 CLA c C9 1 +HETATM 57800 C C10 . CLA VG 23 . ? -14.708 2.928 11.584 1.00 77.79 ? 505 CLA c C10 1 +HETATM 57801 C C11 . CLA VG 23 . ? -15.984 3.403 10.893 1.00 88.38 ? 505 CLA c C11 1 +HETATM 57802 C C12 . CLA VG 23 . ? -16.817 2.210 10.440 1.00 74.16 ? 505 CLA c C12 1 +HETATM 57803 C C13 . CLA VG 23 . ? -18.259 2.607 10.138 1.00 97.70 ? 505 CLA c C13 1 +HETATM 57804 C C14 . CLA VG 23 . ? -19.225 1.782 10.987 1.00 90.24 ? 505 CLA c C14 1 +HETATM 57805 C C15 . CLA VG 23 . ? -18.516 2.404 8.644 1.00 95.15 ? 505 CLA c C15 1 +HETATM 57806 C C16 . CLA VG 23 . ? -19.402 3.464 7.987 1.00 92.05 ? 505 CLA c C16 1 +HETATM 57807 C C17 . CLA VG 23 . ? -19.526 3.177 6.491 1.00 79.32 ? 505 CLA c C17 1 +HETATM 57808 C C18 . CLA VG 23 . ? -20.587 4.037 5.823 1.00 84.97 ? 505 CLA c C18 1 +HETATM 57809 C C19 . CLA VG 23 . ? -21.960 3.774 6.419 1.00 97.22 ? 505 CLA c C19 1 +HETATM 57810 C C20 . CLA VG 23 . ? -20.620 3.776 4.323 1.00 96.58 ? 505 CLA c C20 1 +HETATM 57811 MG MG . CLA WG 23 . ? -27.772 11.104 26.349 1.00 68.05 ? 506 CLA c MG 1 +HETATM 57812 C CHA . CLA WG 23 . ? -28.285 7.746 26.985 1.00 59.01 ? 506 CLA c CHA 1 +HETATM 57813 C CHB . CLA WG 23 . ? -24.462 10.614 26.900 1.00 55.07 ? 506 CLA c CHB 1 +HETATM 57814 C CHC . CLA WG 23 . ? -27.243 14.232 25.085 1.00 65.05 ? 506 CLA c CHC 1 +HETATM 57815 C CHD . CLA WG 23 . ? -31.295 11.328 25.293 1.00 66.08 ? 506 CLA c CHD 1 +HETATM 57816 N NA . CLA WG 23 . ? -26.573 9.475 26.812 1.00 62.22 ? 506 CLA c NA 1 +HETATM 57817 C C1A . CLA WG 23 . ? -26.900 8.275 27.138 1.00 59.80 ? 506 CLA c C1A 1 +HETATM 57818 C C2A . CLA WG 23 . ? -25.804 7.359 27.591 1.00 54.49 ? 506 CLA c C2A 1 +HETATM 57819 C C3A . CLA WG 23 . ? -24.613 8.297 27.620 1.00 61.73 ? 506 CLA c C3A 1 +HETATM 57820 C C4A . CLA WG 23 . ? -25.259 9.553 27.090 1.00 65.22 ? 506 CLA c C4A 1 +HETATM 57821 C CMA . CLA WG 23 . ? -24.233 8.509 29.092 1.00 68.95 ? 506 CLA c CMA 1 +HETATM 57822 C CAA . CLA WG 23 . ? -25.526 6.346 26.466 1.00 68.03 ? 506 CLA c CAA 1 +HETATM 57823 C CBA . CLA WG 23 . ? -24.875 6.985 25.217 1.00 77.85 ? 506 CLA c CBA 1 +HETATM 57824 C CGA . CLA WG 23 . ? -24.780 6.149 23.947 1.00 69.57 ? 506 CLA c CGA 1 +HETATM 57825 O O1A . CLA WG 23 . ? -24.883 4.936 23.935 1.00 78.86 ? 506 CLA c O1A 1 +HETATM 57826 O O2A . CLA WG 23 . ? -24.571 6.820 22.675 1.00 96.36 ? 506 CLA c O2A 1 +HETATM 57827 N NB . CLA WG 23 . ? -26.104 12.241 26.035 1.00 58.74 ? 506 CLA c NB 1 +HETATM 57828 C C1B . CLA WG 23 . ? -24.843 11.926 26.337 1.00 65.31 ? 506 CLA c C1B 1 +HETATM 57829 C C2B . CLA WG 23 . ? -23.835 12.960 25.967 1.00 67.19 ? 506 CLA c C2B 1 +HETATM 57830 C C3B . CLA WG 23 . ? -24.689 14.039 25.418 1.00 58.50 ? 506 CLA c C3B 1 +HETATM 57831 C C4B . CLA WG 23 . ? -26.061 13.470 25.517 1.00 65.86 ? 506 CLA c C4B 1 +HETATM 57832 C CMB . CLA WG 23 . ? -22.342 12.935 26.125 1.00 73.50 ? 506 CLA c CMB 1 +HETATM 57833 C CAB . CLA WG 23 . ? -24.345 15.373 24.873 1.00 58.42 ? 506 CLA c CAB 1 +HETATM 57834 C CBB . CLA WG 23 . ? -23.180 15.968 25.084 1.00 63.66 ? 506 CLA c CBB 1 +HETATM 57835 N NC . CLA WG 23 . ? -28.995 12.442 25.360 1.00 57.77 ? 506 CLA c NC 1 +HETATM 57836 C C1C . CLA WG 23 . ? -28.608 13.686 25.021 1.00 62.03 ? 506 CLA c C1C 1 +HETATM 57837 C C2C . CLA WG 23 . ? -29.688 14.578 24.535 1.00 61.88 ? 506 CLA c C2C 1 +HETATM 57838 C C3C . CLA WG 23 . ? -30.877 13.715 24.591 1.00 64.71 ? 506 CLA c C3C 1 +HETATM 57839 C C4C . CLA WG 23 . ? -30.328 12.433 25.110 1.00 67.65 ? 506 CLA c C4C 1 +HETATM 57840 C CMC . CLA WG 23 . ? -29.599 16.012 24.091 1.00 65.39 ? 506 CLA c CMC 1 +HETATM 57841 C CAC . CLA WG 23 . ? -32.300 14.055 24.210 1.00 78.32 ? 506 CLA c CAC 1 +HETATM 57842 C CBC . CLA WG 23 . ? -32.582 13.375 22.882 1.00 66.19 ? 506 CLA c CBC 1 +HETATM 57843 N ND . CLA WG 23 . ? -29.415 9.918 26.130 1.00 63.34 ? 506 CLA c ND 1 +HETATM 57844 C C1D . CLA WG 23 . ? -30.801 10.037 25.767 1.00 72.31 ? 506 CLA c C1D 1 +HETATM 57845 C C2D . CLA WG 23 . ? -31.617 8.806 25.905 1.00 71.63 ? 506 CLA c C2D 1 +HETATM 57846 C C3D . CLA WG 23 . ? -30.564 7.879 26.420 1.00 75.79 ? 506 CLA c C3D 1 +HETATM 57847 C C4D . CLA WG 23 . ? -29.376 8.593 26.496 1.00 59.52 ? 506 CLA c C4D 1 +HETATM 57848 C CMD . CLA WG 23 . ? -33.053 8.427 25.680 1.00 73.52 ? 506 CLA c CMD 1 +HETATM 57849 C CAD . CLA WG 23 . ? -30.263 6.496 26.862 1.00 65.46 ? 506 CLA c CAD 1 +HETATM 57850 O OBD . CLA WG 23 . ? -31.111 5.540 26.934 1.00 83.28 ? 506 CLA c OBD 1 +HETATM 57851 C CBD . CLA WG 23 . ? -28.836 6.396 27.254 1.00 73.52 ? 506 CLA c CBD 1 +HETATM 57852 C CGD . CLA WG 23 . ? -28.859 6.245 28.752 1.00 80.45 ? 506 CLA c CGD 1 +HETATM 57853 O O1D . CLA WG 23 . ? -28.160 5.441 29.352 1.00 75.92 ? 506 CLA c O1D 1 +HETATM 57854 O O2D . CLA WG 23 . ? -29.750 7.092 29.514 1.00 76.72 ? 506 CLA c O2D 1 +HETATM 57855 C CED . CLA WG 23 . ? -29.653 7.096 30.936 1.00 96.96 ? 506 CLA c CED 1 +HETATM 57856 C C1 . CLA WG 23 . ? -24.068 6.126 21.533 1.00 85.38 ? 506 CLA c C1 1 +HETATM 57857 C C2 . CLA WG 23 . ? -25.140 6.012 20.475 1.00 82.53 ? 506 CLA c C2 1 +HETATM 57858 C C3 . CLA WG 23 . ? -25.632 4.795 20.178 1.00 93.26 ? 506 CLA c C3 1 +HETATM 57859 C C4 . CLA WG 23 . ? -25.102 3.593 20.906 1.00 76.48 ? 506 CLA c C4 1 +HETATM 57860 C C5 . CLA WG 23 . ? -26.707 4.617 19.123 1.00 109.95 ? 506 CLA c C5 1 +HETATM 57861 C C6 . CLA WG 23 . ? -26.176 4.344 17.713 1.00 103.13 ? 506 CLA c C6 1 +HETATM 57862 C C7 . CLA WG 23 . ? -25.591 5.615 17.096 1.00 129.81 ? 506 CLA c C7 1 +HETATM 57863 C C8 . CLA WG 23 . ? -25.329 5.524 15.590 1.00 129.52 ? 506 CLA c C8 1 +HETATM 57864 C C9 . CLA WG 23 . ? -24.722 4.173 15.215 1.00 103.66 ? 506 CLA c C9 1 +HETATM 57865 C C10 . CLA WG 23 . ? -24.433 6.704 15.191 1.00 110.85 ? 506 CLA c C10 1 +HETATM 57866 C C11 . CLA WG 23 . ? -24.827 7.408 13.887 1.00 142.33 ? 506 CLA c C11 1 +HETATM 57867 C C12 . CLA WG 23 . ? -24.345 8.870 13.848 1.00 130.02 ? 506 CLA c C12 1 +HETATM 57868 C C13 . CLA WG 23 . ? -23.956 9.342 12.443 1.00 126.26 ? 506 CLA c C13 1 +HETATM 57869 C C14 . CLA WG 23 . ? -22.703 8.621 11.957 1.00 124.31 ? 506 CLA c C14 1 +HETATM 57870 C C15 . CLA WG 23 . ? -23.720 10.850 12.389 1.00 104.71 ? 506 CLA c C15 1 +HETATM 57871 C C16 . CLA WG 23 . ? -24.890 11.697 12.888 1.00 101.14 ? 506 CLA c C16 1 +HETATM 57872 C C17 . CLA WG 23 . ? -25.866 12.024 11.765 1.00 97.51 ? 506 CLA c C17 1 +HETATM 57873 C C18 . CLA WG 23 . ? -27.066 11.081 11.762 1.00 108.32 ? 506 CLA c C18 1 +HETATM 57874 C C19 . CLA WG 23 . ? -27.732 11.037 10.390 1.00 99.34 ? 506 CLA c C19 1 +HETATM 57875 C C20 . CLA WG 23 . ? -28.077 11.489 12.831 1.00 111.08 ? 506 CLA c C20 1 +HETATM 57876 MG MG . CLA XG 23 . ? -19.225 13.020 27.343 1.00 68.35 ? 507 CLA c MG 1 +HETATM 57877 C CHA . CLA XG 23 . ? -19.423 16.438 28.078 1.00 69.57 ? 507 CLA c CHA 1 +HETATM 57878 C CHB . CLA XG 23 . ? -19.156 13.848 24.053 1.00 52.45 ? 507 CLA c CHB 1 +HETATM 57879 C CHC . CLA XG 23 . ? -19.777 9.730 26.674 1.00 78.29 ? 507 CLA c CHC 1 +HETATM 57880 C CHD . CLA XG 23 . ? -19.648 12.337 30.921 1.00 64.79 ? 507 CLA c CHD 1 +HETATM 57881 N NA . CLA XG 23 . ? -19.326 14.811 26.248 1.00 66.65 ? 507 CLA c NA 1 +HETATM 57882 C C1A . CLA XG 23 . ? -19.267 16.048 26.640 1.00 63.79 ? 507 CLA c C1A 1 +HETATM 57883 C C2A . CLA XG 23 . ? -19.168 17.120 25.562 1.00 67.82 ? 507 CLA c C2A 1 +HETATM 57884 C C3A . CLA XG 23 . ? -19.040 16.260 24.292 1.00 69.25 ? 507 CLA c C3A 1 +HETATM 57885 C C4A . CLA XG 23 . ? -19.183 14.881 24.903 1.00 66.84 ? 507 CLA c C4A 1 +HETATM 57886 C CMA . CLA XG 23 . ? -20.140 16.546 23.271 1.00 60.81 ? 507 CLA c CMA 1 +HETATM 57887 C CAA . CLA XG 23 . ? -18.075 18.185 25.724 1.00 57.70 ? 507 CLA c CAA 1 +HETATM 57888 C CBA . CLA XG 23 . ? -18.088 19.227 24.604 1.00 64.49 ? 507 CLA c CBA 1 +HETATM 57889 C CGA . CLA XG 23 . ? -19.463 19.789 24.301 1.00 70.57 ? 507 CLA c CGA 1 +HETATM 57890 O O1A . CLA XG 23 . ? -20.287 19.994 25.170 1.00 82.76 ? 507 CLA c O1A 1 +HETATM 57891 O O2A . CLA XG 23 . ? -19.841 20.109 22.941 1.00 77.32 ? 507 CLA c O2A 1 +HETATM 57892 N NB . CLA XG 23 . ? -19.390 11.948 25.612 1.00 67.60 ? 507 CLA c NB 1 +HETATM 57893 C C1B . CLA XG 23 . ? -19.351 12.420 24.360 1.00 57.46 ? 507 CLA c C1B 1 +HETATM 57894 C C2B . CLA XG 23 . ? -19.676 11.408 23.312 1.00 66.03 ? 507 CLA c C2B 1 +HETATM 57895 C C3B . CLA XG 23 . ? -19.856 10.196 24.126 1.00 60.95 ? 507 CLA c C3B 1 +HETATM 57896 C C4B . CLA XG 23 . ? -19.669 10.645 25.521 1.00 64.73 ? 507 CLA c C4B 1 +HETATM 57897 C CMB . CLA XG 23 . ? -19.763 11.503 21.809 1.00 60.44 ? 507 CLA c CMB 1 +HETATM 57898 C CAB . CLA XG 23 . ? -20.190 8.846 23.645 1.00 63.33 ? 507 CLA c CAB 1 +HETATM 57899 C CBB . CLA XG 23 . ? -21.350 8.330 23.977 1.00 92.90 ? 507 CLA c CBB 1 +HETATM 57900 N NC . CLA XG 23 . ? -19.647 11.393 28.547 1.00 71.56 ? 507 CLA c NC 1 +HETATM 57901 C C1C . CLA XG 23 . ? -19.818 10.132 28.094 1.00 69.26 ? 507 CLA c C1C 1 +HETATM 57902 C C2C . CLA XG 23 . ? -20.055 9.108 29.155 1.00 61.00 ? 507 CLA c C2C 1 +HETATM 57903 C C3C . CLA XG 23 . ? -20.001 9.910 30.384 1.00 73.55 ? 507 CLA c C3C 1 +HETATM 57904 C C4C . CLA XG 23 . ? -19.745 11.280 29.892 1.00 66.98 ? 507 CLA c C4C 1 +HETATM 57905 C CMC . CLA XG 23 . ? -20.297 7.624 29.081 1.00 50.97 ? 507 CLA c CMC 1 +HETATM 57906 C CAC . CLA XG 23 . ? -20.192 9.454 31.806 1.00 71.84 ? 507 CLA c CAC 1 +HETATM 57907 C CBC . CLA XG 23 . ? -21.671 9.667 32.052 1.00 65.93 ? 507 CLA c CBC 1 +HETATM 57908 N ND . CLA XG 23 . ? -19.483 14.023 29.103 1.00 69.62 ? 507 CLA c ND 1 +HETATM 57909 C C1D . CLA XG 23 . ? -19.638 13.736 30.501 1.00 62.98 ? 507 CLA c C1D 1 +HETATM 57910 C C2D . CLA XG 23 . ? -19.784 14.915 31.391 1.00 72.11 ? 507 CLA c C2D 1 +HETATM 57911 C C3D . CLA XG 23 . ? -19.696 16.003 30.375 1.00 75.62 ? 507 CLA c C3D 1 +HETATM 57912 C C4D . CLA XG 23 . ? -19.547 15.413 29.131 1.00 67.58 ? 507 CLA c C4D 1 +HETATM 57913 C CMD . CLA XG 23 . ? -19.960 15.173 32.861 1.00 71.23 ? 507 CLA c CMD 1 +HETATM 57914 C CAD . CLA XG 23 . ? -19.716 17.474 30.179 1.00 85.41 ? 507 CLA c CAD 1 +HETATM 57915 O OBD . CLA XG 23 . ? -19.863 18.336 31.125 1.00 66.29 ? 507 CLA c OBD 1 +HETATM 57916 C CBD . CLA XG 23 . ? -19.560 17.774 28.724 1.00 73.45 ? 507 CLA c CBD 1 +HETATM 57917 C CGD . CLA XG 23 . ? -20.751 18.575 28.266 1.00 58.36 ? 507 CLA c CGD 1 +HETATM 57918 O O1D . CLA XG 23 . ? -20.762 19.772 28.426 1.00 65.00 ? 507 CLA c O1D 1 +HETATM 57919 O O2D . CLA XG 23 . ? -21.930 17.994 27.673 1.00 65.21 ? 507 CLA c O2D 1 +HETATM 57920 C CED . CLA XG 23 . ? -23.025 18.849 27.369 1.00 61.19 ? 507 CLA c CED 1 +HETATM 57921 C C1 . CLA XG 23 . ? -21.061 20.791 22.660 1.00 67.78 ? 507 CLA c C1 1 +HETATM 57922 C C2 . CLA XG 23 . ? -22.250 19.885 22.886 1.00 68.80 ? 507 CLA c C2 1 +HETATM 57923 C C3 . CLA XG 23 . ? -23.138 19.631 21.912 1.00 72.03 ? 507 CLA c C3 1 +HETATM 57924 C C4 . CLA XG 23 . ? -22.964 20.243 20.550 1.00 87.47 ? 507 CLA c C4 1 +HETATM 57925 C C5 . CLA XG 23 . ? -24.313 18.733 22.215 1.00 64.32 ? 507 CLA c C5 1 +HETATM 57926 C C6 . CLA XG 23 . ? -25.120 18.284 21.011 1.00 67.56 ? 507 CLA c C6 1 +HETATM 57927 C C7 . CLA XG 23 . ? -26.302 17.453 21.485 1.00 76.18 ? 507 CLA c C7 1 +HETATM 57928 C C8 . CLA XG 23 . ? -26.613 16.314 20.530 1.00 70.42 ? 507 CLA c C8 1 +HETATM 57929 C C9 . CLA XG 23 . ? -27.047 16.859 19.183 1.00 74.05 ? 507 CLA c C9 1 +HETATM 57930 C C10 . CLA XG 23 . ? -27.702 15.440 21.139 1.00 74.92 ? 507 CLA c C10 1 +HETATM 57931 C C11 . CLA XG 23 . ? -27.851 14.106 20.422 1.00 65.72 ? 507 CLA c C11 1 +HETATM 57932 C C12 . CLA XG 23 . ? -28.337 13.055 21.405 1.00 77.24 ? 507 CLA c C12 1 +HETATM 57933 C C13 . CLA XG 23 . ? -28.607 11.713 20.747 1.00 69.44 ? 507 CLA c C13 1 +HETATM 57934 C C14 . CLA XG 23 . ? -29.549 11.868 19.564 1.00 88.53 ? 507 CLA c C14 1 +HETATM 57935 C C15 . CLA XG 23 . ? -29.226 10.806 21.802 1.00 75.73 ? 507 CLA c C15 1 +HETATM 57936 C C16 . CLA XG 23 . ? -28.982 9.325 21.555 1.00 71.45 ? 507 CLA c C16 1 +HETATM 57937 C C17 . CLA XG 23 . ? -29.726 8.483 22.584 1.00 66.83 ? 507 CLA c C17 1 +HETATM 57938 C C18 . CLA XG 23 . ? -29.463 7.004 22.344 1.00 83.58 ? 507 CLA c C18 1 +HETATM 57939 C C19 . CLA XG 23 . ? -30.142 6.156 23.407 1.00 86.75 ? 507 CLA c C19 1 +HETATM 57940 C C20 . CLA XG 23 . ? -27.968 6.720 22.319 1.00 81.37 ? 507 CLA c C20 1 +HETATM 57941 MG MG . CLA YG 23 . ? -3.742 15.252 26.439 1.00 58.43 ? 508 CLA c MG 1 +HETATM 57942 C CHA . CLA YG 23 . ? -1.292 13.802 28.417 1.00 63.32 ? 508 CLA c CHA 1 +HETATM 57943 C CHB . CLA YG 23 . ? -5.107 16.568 29.259 1.00 62.03 ? 508 CLA c CHB 1 +HETATM 57944 C CHC . CLA YG 23 . ? -5.643 17.271 24.418 1.00 64.24 ? 508 CLA c CHC 1 +HETATM 57945 C CHD . CLA YG 23 . ? -1.788 14.244 23.469 1.00 53.64 ? 508 CLA c CHD 1 +HETATM 57946 N NA . CLA YG 23 . ? -3.268 15.246 28.481 1.00 70.05 ? 508 CLA c NA 1 +HETATM 57947 C C1A . CLA YG 23 . ? -2.386 14.551 29.121 1.00 63.65 ? 508 CLA c C1A 1 +HETATM 57948 C C2A . CLA YG 23 . ? -2.388 14.649 30.628 1.00 61.62 ? 508 CLA c C2A 1 +HETATM 57949 C C3A . CLA YG 23 . ? -3.631 15.482 30.869 1.00 62.90 ? 508 CLA c C3A 1 +HETATM 57950 C C4A . CLA YG 23 . ? -4.034 15.781 29.440 1.00 60.64 ? 508 CLA c C4A 1 +HETATM 57951 C CMA . CLA YG 23 . ? -4.669 14.590 31.529 1.00 52.80 ? 508 CLA c CMA 1 +HETATM 57952 C CAA . CLA YG 23 . ? -1.205 15.539 31.068 1.00 51.93 ? 508 CLA c CAA 1 +HETATM 57953 C CBA . CLA YG 23 . ? -1.119 16.802 30.180 1.00 62.48 ? 508 CLA c CBA 1 +HETATM 57954 C CGA . CLA YG 23 . ? 0.028 17.755 30.468 1.00 64.19 ? 508 CLA c CGA 1 +HETATM 57955 O O1A . CLA YG 23 . ? 0.421 17.946 31.610 1.00 65.51 ? 508 CLA c O1A 1 +HETATM 57956 O O2A . CLA YG 23 . ? 0.692 18.481 29.394 1.00 62.91 ? 508 CLA c O2A 1 +HETATM 57957 N NB . CLA YG 23 . ? -5.140 16.720 26.796 1.00 64.15 ? 508 CLA c NB 1 +HETATM 57958 C C1B . CLA YG 23 . ? -5.677 17.047 27.984 1.00 71.20 ? 508 CLA c C1B 1 +HETATM 57959 C C2B . CLA YG 23 . ? -6.832 17.996 27.914 1.00 71.01 ? 508 CLA c C2B 1 +HETATM 57960 C C3B . CLA YG 23 . ? -6.966 18.192 26.451 1.00 70.92 ? 508 CLA c C3B 1 +HETATM 57961 C C4B . CLA YG 23 . ? -5.877 17.358 25.873 1.00 62.84 ? 508 CLA c C4B 1 +HETATM 57962 C CMB . CLA YG 23 . ? -7.680 18.592 29.008 1.00 58.46 ? 508 CLA c CMB 1 +HETATM 57963 C CAB . CLA YG 23 . ? -7.960 19.021 25.714 1.00 68.77 ? 508 CLA c CAB 1 +HETATM 57964 C CBB . CLA YG 23 . ? -9.236 19.004 26.067 1.00 64.93 ? 508 CLA c CBB 1 +HETATM 57965 N NC . CLA YG 23 . ? -3.704 15.654 24.391 1.00 62.68 ? 508 CLA c NC 1 +HETATM 57966 C C1C . CLA YG 23 . ? -4.570 16.484 23.765 1.00 60.16 ? 508 CLA c C1C 1 +HETATM 57967 C C2C . CLA YG 23 . ? -4.396 16.592 22.283 1.00 60.55 ? 508 CLA c C2C 1 +HETATM 57968 C C3C . CLA YG 23 . ? -3.250 15.693 22.018 1.00 57.80 ? 508 CLA c C3C 1 +HETATM 57969 C C4C . CLA YG 23 . ? -2.923 15.185 23.383 1.00 59.43 ? 508 CLA c C4C 1 +HETATM 57970 C CMC . CLA YG 23 . ? -5.175 17.430 21.296 1.00 46.70 ? 508 CLA c CMC 1 +HETATM 57971 C CAC . CLA YG 23 . ? -2.587 15.335 20.699 1.00 56.37 ? 508 CLA c CAC 1 +HETATM 57972 C CBC . CLA YG 23 . ? -1.376 16.207 20.462 1.00 55.78 ? 508 CLA c CBC 1 +HETATM 57973 N ND . CLA YG 23 . ? -2.001 14.310 25.972 1.00 55.68 ? 508 CLA c ND 1 +HETATM 57974 C C1D . CLA YG 23 . ? -1.286 13.886 24.797 1.00 61.30 ? 508 CLA c C1D 1 +HETATM 57975 C C2D . CLA YG 23 . ? -0.070 13.081 25.025 1.00 60.90 ? 508 CLA c C2D 1 +HETATM 57976 C C3D . CLA YG 23 . ? -0.095 13.047 26.523 1.00 66.82 ? 508 CLA c C3D 1 +HETATM 57977 C C4D . CLA YG 23 . ? -1.208 13.764 26.949 1.00 62.74 ? 508 CLA c C4D 1 +HETATM 57978 C CMD . CLA YG 23 . ? 0.958 12.437 24.129 1.00 48.17 ? 508 CLA c CMD 1 +HETATM 57979 C CAD . CLA YG 23 . ? 0.603 12.553 27.746 1.00 68.69 ? 508 CLA c CAD 1 +HETATM 57980 O OBD . CLA YG 23 . ? 1.664 11.822 27.757 1.00 58.23 ? 508 CLA c OBD 1 +HETATM 57981 C CBD . CLA YG 23 . ? -0.164 12.989 28.949 1.00 70.17 ? 508 CLA c CBD 1 +HETATM 57982 C CGD . CLA YG 23 . ? -0.802 11.744 29.512 1.00 64.30 ? 508 CLA c CGD 1 +HETATM 57983 O O1D . CLA YG 23 . ? -0.988 10.737 28.821 1.00 61.91 ? 508 CLA c O1D 1 +HETATM 57984 O O2D . CLA YG 23 . ? -1.225 11.729 30.903 1.00 58.76 ? 508 CLA c O2D 1 +HETATM 57985 C CED . CLA YG 23 . ? -2.049 10.657 31.349 1.00 53.45 ? 508 CLA c CED 1 +HETATM 57986 C C1 . CLA YG 23 . ? 1.773 19.360 29.699 1.00 58.55 ? 508 CLA c C1 1 +HETATM 57987 C C2 . CLA YG 23 . ? 1.857 20.458 28.671 1.00 60.91 ? 508 CLA c C2 1 +HETATM 57988 C C3 . CLA YG 23 . ? 2.997 20.670 27.995 1.00 74.01 ? 508 CLA c C3 1 +HETATM 57989 C C4 . CLA YG 23 . ? 4.209 19.821 28.244 1.00 67.29 ? 508 CLA c C4 1 +HETATM 57990 C C5 . CLA YG 23 . ? 3.064 21.770 26.962 1.00 70.47 ? 508 CLA c C5 1 +HETATM 57991 C C6 . CLA YG 23 . ? 3.366 21.180 25.593 1.00 72.17 ? 508 CLA c C6 1 +HETATM 57992 C C7 . CLA YG 23 . ? 3.456 22.254 24.519 1.00 83.77 ? 508 CLA c C7 1 +HETATM 57993 C C8 . CLA YG 23 . ? 3.188 21.657 23.137 1.00 89.75 ? 508 CLA c C8 1 +HETATM 57994 C C9 . CLA YG 23 . ? 4.062 20.450 22.838 1.00 92.82 ? 508 CLA c C9 1 +HETATM 57995 C C10 . CLA YG 23 . ? 3.474 22.705 22.082 1.00 100.17 ? 508 CLA c C10 1 +HETATM 57996 C C11 . CLA YG 23 . ? 2.397 23.769 22.019 1.00 80.30 ? 508 CLA c C11 1 +HETATM 57997 C C12 . CLA YG 23 . ? 2.753 24.636 20.827 1.00 106.33 ? 508 CLA c C12 1 +HETATM 57998 C C13 . CLA YG 23 . ? 1.793 25.793 20.652 1.00 89.65 ? 508 CLA c C13 1 +HETATM 57999 C C14 . CLA YG 23 . ? 0.398 25.286 20.312 1.00 101.31 ? 508 CLA c C14 1 +HETATM 58000 C C15 . CLA YG 23 . ? 2.344 26.695 19.556 1.00 133.94 ? 508 CLA c C15 1 +HETATM 58001 C C16 . CLA YG 23 . ? 3.852 26.925 19.676 1.00 151.74 ? 508 CLA c C16 1 +HETATM 58002 C C17 . CLA YG 23 . ? 4.208 27.798 20.881 1.00 152.07 ? 508 CLA c C17 1 +HETATM 58003 C C18 . CLA YG 23 . ? 5.553 28.494 20.690 1.00 152.79 ? 508 CLA c C18 1 +HETATM 58004 C C19 . CLA YG 23 . ? 6.483 28.248 21.873 1.00 134.03 ? 508 CLA c C19 1 +HETATM 58005 C C20 . CLA YG 23 . ? 5.348 29.984 20.435 1.00 128.65 ? 508 CLA c C20 1 +HETATM 58006 MG MG . CLA ZG 23 . ? -10.288 19.441 31.135 1.00 61.92 ? 509 CLA c MG 1 +HETATM 58007 C CHA . CLA ZG 23 . ? -12.957 19.542 28.881 1.00 56.82 ? 509 CLA c CHA 1 +HETATM 58008 C CHB . CLA ZG 23 . ? -9.228 22.354 29.909 1.00 56.49 ? 509 CLA c CHB 1 +HETATM 58009 C CHC . CLA ZG 23 . ? -7.407 18.938 32.855 1.00 46.67 ? 509 CLA c CHC 1 +HETATM 58010 C CHD . CLA ZG 23 . ? -11.325 16.004 31.991 1.00 62.38 ? 509 CLA c CHD 1 +HETATM 58011 N NA . CLA ZG 23 . ? -10.941 20.715 29.630 1.00 59.31 ? 509 CLA c NA 1 +HETATM 58012 C C1A . CLA ZG 23 . ? -12.000 20.686 28.883 1.00 50.85 ? 509 CLA c C1A 1 +HETATM 58013 C C2A . CLA ZG 23 . ? -12.270 21.898 28.023 1.00 54.42 ? 509 CLA c C2A 1 +HETATM 58014 C C3A . CLA ZG 23 . ? -11.063 22.768 28.371 1.00 61.04 ? 509 CLA c C3A 1 +HETATM 58015 C C4A . CLA ZG 23 . ? -10.358 21.885 29.370 1.00 50.89 ? 509 CLA c C4A 1 +HETATM 58016 C CMA . CLA ZG 23 . ? -10.185 22.970 27.137 1.00 55.74 ? 509 CLA c CMA 1 +HETATM 58017 C CAA . CLA ZG 23 . ? -13.536 22.658 28.421 1.00 56.65 ? 509 CLA c CAA 1 +HETATM 58018 C CBA . CLA ZG 23 . ? -13.728 23.959 27.628 1.00 60.56 ? 509 CLA c CBA 1 +HETATM 58019 C CGA . CLA ZG 23 . ? -14.234 23.658 26.235 1.00 62.39 ? 509 CLA c CGA 1 +HETATM 58020 O O1A . CLA ZG 23 . ? -14.671 22.556 25.957 1.00 86.41 ? 509 CLA c O1A 1 +HETATM 58021 O O2A . CLA ZG 23 . ? -14.164 24.635 25.177 1.00 87.58 ? 509 CLA c O2A 1 +HETATM 58022 N NB . CLA ZG 23 . ? -8.552 20.487 31.321 1.00 58.65 ? 509 CLA c NB 1 +HETATM 58023 C C1B . CLA ZG 23 . ? -8.337 21.722 30.904 1.00 57.21 ? 509 CLA c C1B 1 +HETATM 58024 C C2B . CLA ZG 23 . ? -7.171 22.408 31.550 1.00 52.45 ? 509 CLA c C2B 1 +HETATM 58025 C C3B . CLA ZG 23 . ? -6.646 21.337 32.426 1.00 59.72 ? 509 CLA c C3B 1 +HETATM 58026 C C4B . CLA ZG 23 . ? -7.574 20.214 32.176 1.00 53.04 ? 509 CLA c C4B 1 +HETATM 58027 C CMB . CLA ZG 23 . ? -6.680 23.818 31.358 1.00 57.26 ? 509 CLA c CMB 1 +HETATM 58028 C CAB . CLA ZG 23 . ? -5.506 21.293 33.389 1.00 71.93 ? 509 CLA c CAB 1 +HETATM 58029 C CBB . CLA ZG 23 . ? -4.493 22.140 33.302 1.00 71.74 ? 509 CLA c CBB 1 +HETATM 58030 N NC . CLA ZG 23 . ? -9.549 17.819 32.174 1.00 59.61 ? 509 CLA c NC 1 +HETATM 58031 C C1C . CLA ZG 23 . ? -8.361 17.834 32.806 1.00 55.96 ? 509 CLA c C1C 1 +HETATM 58032 C C2C . CLA ZG 23 . ? -8.003 16.588 33.517 1.00 54.64 ? 509 CLA c C2C 1 +HETATM 58033 C C3C . CLA ZG 23 . ? -9.174 15.721 33.259 1.00 59.33 ? 509 CLA c C3C 1 +HETATM 58034 C C4C . CLA ZG 23 . ? -10.048 16.589 32.426 1.00 51.13 ? 509 CLA c C4C 1 +HETATM 58035 C CMC . CLA ZG 23 . ? -6.756 16.299 34.304 1.00 64.45 ? 509 CLA c CMC 1 +HETATM 58036 C CAC . CLA ZG 23 . ? -9.435 14.314 33.722 1.00 55.41 ? 509 CLA c CAC 1 +HETATM 58037 C CBC . CLA ZG 23 . ? -8.641 13.403 32.815 1.00 63.56 ? 509 CLA c CBC 1 +HETATM 58038 N ND . CLA ZG 23 . ? -11.671 18.047 30.602 1.00 59.69 ? 509 CLA c ND 1 +HETATM 58039 C C1D . CLA ZG 23 . ? -12.123 16.763 31.040 1.00 57.99 ? 509 CLA c C1D 1 +HETATM 58040 C C2D . CLA ZG 23 . ? -13.400 16.284 30.468 1.00 58.44 ? 509 CLA c C2D 1 +HETATM 58041 C C3D . CLA ZG 23 . ? -13.719 17.431 29.580 1.00 57.91 ? 509 CLA c C3D 1 +HETATM 58042 C C4D . CLA ZG 23 . ? -12.696 18.367 29.726 1.00 60.99 ? 509 CLA c C4D 1 +HETATM 58043 C CMD . CLA ZG 23 . ? -14.244 15.045 30.640 1.00 65.40 ? 509 CLA c CMD 1 +HETATM 58044 C CAD . CLA ZG 23 . ? -14.713 18.001 28.624 1.00 58.70 ? 509 CLA c CAD 1 +HETATM 58045 O OBD . CLA ZG 23 . ? -15.788 17.408 28.261 1.00 69.16 ? 509 CLA c OBD 1 +HETATM 58046 C CBD . CLA ZG 23 . ? -14.248 19.321 28.142 1.00 64.34 ? 509 CLA c CBD 1 +HETATM 58047 C CGD . CLA ZG 23 . ? -13.952 19.187 26.666 1.00 72.55 ? 509 CLA c CGD 1 +HETATM 58048 O O1D . CLA ZG 23 . ? -14.777 19.476 25.802 1.00 69.04 ? 509 CLA c O1D 1 +HETATM 58049 O O2D . CLA ZG 23 . ? -12.644 18.719 26.230 1.00 66.00 ? 509 CLA c O2D 1 +HETATM 58050 C CED . CLA ZG 23 . ? -12.402 18.541 24.841 1.00 79.81 ? 509 CLA c CED 1 +HETATM 58051 C C1 . CLA ZG 23 . ? -15.304 25.048 24.413 1.00 79.69 ? 509 CLA c C1 1 +HETATM 58052 C C2 . CLA ZG 23 . ? -16.448 24.060 24.344 1.00 66.77 ? 509 CLA c C2 1 +HETATM 58053 C C3 . CLA ZG 23 . ? -17.672 24.560 24.576 1.00 75.20 ? 509 CLA c C3 1 +HETATM 58054 C C4 . CLA ZG 23 . ? -17.792 26.020 24.888 1.00 69.73 ? 509 CLA c C4 1 +HETATM 58055 C C5 . CLA ZG 23 . ? -18.907 23.690 24.537 1.00 82.71 ? 509 CLA c C5 1 +HETATM 58056 C C6 . CLA ZG 23 . ? -19.557 23.425 25.896 1.00 95.58 ? 509 CLA c C6 1 +HETATM 58057 C C7 . CLA ZG 23 . ? -18.574 23.456 27.062 1.00 91.33 ? 509 CLA c C7 1 +HETATM 58058 C C8 . CLA ZG 23 . ? -19.102 22.675 28.260 1.00 82.27 ? 509 CLA c C8 1 +HETATM 58059 C C9 . CLA ZG 23 . ? -19.614 23.609 29.348 1.00 83.21 ? 509 CLA c C9 1 +HETATM 58060 C C10 . CLA ZG 23 . ? -17.979 21.775 28.768 1.00 96.94 ? 509 CLA c C10 1 +HETATM 58061 C C11 . CLA ZG 23 . ? -17.636 21.966 30.248 1.00 77.48 ? 509 CLA c C11 1 +HETATM 58062 C C12 . CLA ZG 23 . ? -17.230 20.627 30.854 1.00 71.39 ? 509 CLA c C12 1 +HETATM 58063 C C13 . CLA ZG 23 . ? -16.216 20.800 31.985 1.00 85.69 ? 509 CLA c C13 1 +HETATM 58064 C C14 . CLA ZG 23 . ? -15.061 21.726 31.607 1.00 82.32 ? 509 CLA c C14 1 +HETATM 58065 C C15 . CLA ZG 23 . ? -15.684 19.433 32.414 1.00 101.04 ? 509 CLA c C15 1 +HETATM 58066 C C16 . CLA ZG 23 . ? -16.777 18.494 32.910 1.00 87.76 ? 509 CLA c C16 1 +HETATM 58067 C C17 . CLA ZG 23 . ? -16.194 17.453 33.856 1.00 84.22 ? 509 CLA c C17 1 +HETATM 58068 C C18 . CLA ZG 23 . ? -16.103 17.981 35.283 1.00 79.49 ? 509 CLA c C18 1 +HETATM 58069 C C19 . CLA ZG 23 . ? -14.654 18.148 35.724 1.00 90.67 ? 509 CLA c C19 1 +HETATM 58070 C C20 . CLA ZG 23 . ? -16.852 17.075 36.243 1.00 77.17 ? 509 CLA c C20 1 +HETATM 58071 MG MG . CLA AH 23 . ? -6.650 26.154 25.531 1.00 62.74 ? 510 CLA c MG 1 +HETATM 58072 C CHA . CLA AH 23 . ? -3.803 24.940 27.098 1.00 61.42 ? 510 CLA c CHA 1 +HETATM 58073 C CHB . CLA AH 23 . ? -7.598 22.931 25.005 1.00 55.00 ? 510 CLA c CHB 1 +HETATM 58074 C CHC . CLA AH 23 . ? -9.095 27.360 23.490 1.00 51.85 ? 510 CLA c CHC 1 +HETATM 58075 C CHD . CLA AH 23 . ? -5.115 29.525 25.565 1.00 60.91 ? 510 CLA c CHD 1 +HETATM 58076 N NA . CLA AH 23 . ? -5.837 24.274 25.937 1.00 65.99 ? 510 CLA c NA 1 +HETATM 58077 C C1A . CLA AH 23 . ? -4.815 23.938 26.646 1.00 60.55 ? 510 CLA c C1A 1 +HETATM 58078 C C2A . CLA AH 23 . ? -4.621 22.475 26.943 1.00 62.69 ? 510 CLA c C2A 1 +HETATM 58079 C C3A . CLA AH 23 . ? -5.819 21.872 26.233 1.00 60.54 ? 510 CLA c C3A 1 +HETATM 58080 C C4A . CLA AH 23 . ? -6.460 23.111 25.691 1.00 63.01 ? 510 CLA c C4A 1 +HETATM 58081 C CMA . CLA AH 23 . ? -5.325 21.072 25.026 1.00 60.78 ? 510 CLA c CMA 1 +HETATM 58082 C CAA . CLA AH 23 . ? -4.818 22.242 28.442 1.00 65.11 ? 510 CLA c CAA 1 +HETATM 58083 C CBA . CLA AH 23 . ? -4.906 20.774 28.832 1.00 59.13 ? 510 CLA c CBA 1 +HETATM 58084 C CGA . CLA AH 23 . ? -3.542 20.139 28.731 1.00 68.17 ? 510 CLA c CGA 1 +HETATM 58085 O O1A . CLA AH 23 . ? -2.803 20.024 29.694 1.00 62.45 ? 510 CLA c O1A 1 +HETATM 58086 O O2A . CLA AH 23 . ? -3.059 19.607 27.480 1.00 64.47 ? 510 CLA c O2A 1 +HETATM 58087 N NB . CLA AH 23 . ? -8.086 25.262 24.373 1.00 58.69 ? 510 CLA c NB 1 +HETATM 58088 C C1B . CLA AH 23 . ? -8.431 23.975 24.369 1.00 59.04 ? 510 CLA c C1B 1 +HETATM 58089 C C2B . CLA AH 23 . ? -9.744 23.677 23.721 1.00 52.67 ? 510 CLA c C2B 1 +HETATM 58090 C C3B . CLA AH 23 . ? -10.175 25.025 23.281 1.00 59.18 ? 510 CLA c C3B 1 +HETATM 58091 C C4B . CLA AH 23 . ? -9.066 25.907 23.726 1.00 54.63 ? 510 CLA c C4B 1 +HETATM 58092 C CMB . CLA AH 23 . ? -10.431 22.348 23.576 1.00 55.48 ? 510 CLA c CMB 1 +HETATM 58093 C CAB . CLA AH 23 . ? -11.386 25.473 22.546 1.00 61.50 ? 510 CLA c CAB 1 +HETATM 58094 C CBB . CLA AH 23 . ? -12.141 24.611 21.898 1.00 54.99 ? 510 CLA c CBB 1 +HETATM 58095 N NC . CLA AH 23 . ? -6.988 28.016 24.689 1.00 62.29 ? 510 CLA c NC 1 +HETATM 58096 C C1C . CLA AH 23 . ? -8.075 28.314 23.939 1.00 57.50 ? 510 CLA c C1C 1 +HETATM 58097 C C2C . CLA AH 23 . ? -8.210 29.757 23.560 1.00 64.36 ? 510 CLA c C2C 1 +HETATM 58098 C C3C . CLA AH 23 . ? -7.020 30.375 24.170 1.00 53.09 ? 510 CLA c C3C 1 +HETATM 58099 C C4C . CLA AH 23 . ? -6.357 29.218 24.832 1.00 59.64 ? 510 CLA c C4C 1 +HETATM 58100 C CMC . CLA AH 23 . ? -9.265 30.459 22.743 1.00 68.42 ? 510 CLA c CMC 1 +HETATM 58101 C CAC . CLA AH 23 . ? -6.596 31.820 24.137 1.00 58.45 ? 510 CLA c CAC 1 +HETATM 58102 C CBC . CLA AH 23 . ? -5.735 32.011 22.903 1.00 55.19 ? 510 CLA c CBC 1 +HETATM 58103 N ND . CLA AH 23 . ? -4.945 27.082 26.098 1.00 57.04 ? 510 CLA c ND 1 +HETATM 58104 C C1D . CLA AH 23 . ? -4.403 28.412 26.173 1.00 59.45 ? 510 CLA c C1D 1 +HETATM 58105 C C2D . CLA AH 23 . ? -3.118 28.537 26.886 1.00 60.42 ? 510 CLA c C2D 1 +HETATM 58106 C C3D . CLA AH 23 . ? -2.894 27.108 27.246 1.00 58.56 ? 510 CLA c C3D 1 +HETATM 58107 C C4D . CLA AH 23 . ? -3.972 26.371 26.780 1.00 58.61 ? 510 CLA c C4D 1 +HETATM 58108 C CMD . CLA AH 23 . ? -2.184 29.648 27.226 1.00 59.57 ? 510 CLA c CMD 1 +HETATM 58109 C CAD . CLA AH 23 . ? -1.983 26.170 27.934 1.00 60.06 ? 510 CLA c CAD 1 +HETATM 58110 O OBD . CLA AH 23 . ? -0.884 26.529 28.478 1.00 68.38 ? 510 CLA c OBD 1 +HETATM 58111 C CBD . CLA AH 23 . ? -2.534 24.785 27.860 1.00 62.38 ? 510 CLA c CBD 1 +HETATM 58112 C CGD . CLA AH 23 . ? -1.557 23.928 27.128 1.00 74.97 ? 510 CLA c CGD 1 +HETATM 58113 O O1D . CLA AH 23 . ? -0.954 23.038 27.708 1.00 67.70 ? 510 CLA c O1D 1 +HETATM 58114 O O2D . CLA AH 23 . ? -1.311 24.179 25.718 1.00 68.97 ? 510 CLA c O2D 1 +HETATM 58115 C CED . CLA AH 23 . ? -0.057 23.838 25.125 1.00 74.06 ? 510 CLA c CED 1 +HETATM 58116 C C1 . CLA AH 23 . ? -1.649 19.543 27.316 1.00 71.40 ? 510 CLA c C1 1 +HETATM 58117 C C2 . CLA AH 23 . ? -1.316 19.800 25.868 1.00 76.60 ? 510 CLA c C2 1 +HETATM 58118 C C3 . CLA AH 23 . ? -1.111 18.756 25.074 1.00 65.58 ? 510 CLA c C3 1 +HETATM 58119 C C4 . CLA AH 23 . ? -1.220 17.399 25.683 1.00 80.27 ? 510 CLA c C4 1 +HETATM 58120 C C5 . CLA AH 23 . ? -0.774 18.927 23.605 1.00 71.55 ? 510 CLA c C5 1 +HETATM 58121 C C6 . CLA AH 23 . ? -1.770 19.785 22.837 1.00 61.85 ? 510 CLA c C6 1 +HETATM 58122 C C7 . CLA AH 23 . ? -1.273 19.977 21.418 1.00 76.46 ? 510 CLA c C7 1 +HETATM 58123 C C8 . CLA AH 23 . ? -2.308 20.739 20.612 1.00 72.51 ? 510 CLA c C8 1 +HETATM 58124 C C9 . CLA AH 23 . ? -2.085 20.538 19.121 1.00 75.60 ? 510 CLA c C9 1 +HETATM 58125 C C10 . CLA AH 23 . ? -2.166 22.200 20.962 1.00 87.46 ? 510 CLA c C10 1 +HETATM 58126 C C11 . CLA AH 23 . ? -3.552 22.784 21.153 1.00 80.18 ? 510 CLA c C11 1 +HETATM 58127 C C12 . CLA AH 23 . ? -3.408 24.230 21.571 1.00 70.07 ? 510 CLA c C12 1 +HETATM 58128 C C13 . CLA AH 23 . ? -4.688 24.701 22.232 1.00 74.30 ? 510 CLA c C13 1 +HETATM 58129 C C14 . CLA AH 23 . ? -5.904 24.208 21.453 1.00 80.40 ? 510 CLA c C14 1 +HETATM 58130 C C15 . CLA AH 23 . ? -4.656 26.219 22.301 1.00 63.38 ? 510 CLA c C15 1 +HETATM 58131 C C16 . CLA AH 23 . ? -3.250 26.729 22.604 1.00 68.85 ? 510 CLA c C16 1 +HETATM 58132 C C17 . CLA AH 23 . ? -3.230 28.249 22.560 1.00 80.01 ? 510 CLA c C17 1 +HETATM 58133 C C18 . CLA AH 23 . ? -1.934 28.827 23.110 1.00 72.18 ? 510 CLA c C18 1 +HETATM 58134 C C19 . CLA AH 23 . ? -1.949 30.344 22.994 1.00 83.77 ? 510 CLA c C19 1 +HETATM 58135 C C20 . CLA AH 23 . ? -0.728 28.255 22.383 1.00 95.70 ? 510 CLA c C20 1 +HETATM 58136 MG MG . CLA BH 23 . ? -0.646 22.867 35.125 1.00 68.55 ? 511 CLA c MG 1 +HETATM 58137 C CHA . CLA BH 23 . ? -0.132 21.797 38.408 1.00 66.96 ? 511 CLA c CHA 1 +HETATM 58138 C CHB . CLA BH 23 . ? -3.326 24.666 36.240 1.00 64.90 ? 511 CLA c CHB 1 +HETATM 58139 C CHC . CLA BH 23 . ? -0.729 24.350 32.085 1.00 57.46 ? 511 CLA c CHC 1 +HETATM 58140 C CHD . CLA BH 23 . ? 2.660 21.423 34.282 1.00 62.58 ? 511 CLA c CHD 1 +HETATM 58141 N NA . CLA BH 23 . ? -1.549 23.230 36.998 1.00 76.81 ? 511 CLA c NA 1 +HETATM 58142 C C1A . CLA BH 23 . ? -1.320 22.680 38.147 1.00 67.69 ? 511 CLA c C1A 1 +HETATM 58143 C C2A . CLA BH 23 . ? -2.280 23.007 39.280 1.00 80.81 ? 511 CLA c C2A 1 +HETATM 58144 C C3A . CLA BH 23 . ? -3.246 23.974 38.588 1.00 70.88 ? 511 CLA c C3A 1 +HETATM 58145 C C4A . CLA BH 23 . ? -2.680 23.942 37.177 1.00 62.12 ? 511 CLA c C4A 1 +HETATM 58146 C CMA . CLA BH 23 . ? -4.738 23.676 38.754 1.00 59.96 ? 511 CLA c CMA 1 +HETATM 58147 C CAA . CLA BH 23 . ? -1.595 23.690 40.466 1.00 68.98 ? 511 CLA c CAA 1 +HETATM 58148 C CBA . CLA BH 23 . ? -0.587 24.765 40.059 1.00 71.40 ? 511 CLA c CBA 1 +HETATM 58149 C CGA . CLA BH 23 . ? -0.001 25.411 41.308 1.00 94.54 ? 511 CLA c CGA 1 +HETATM 58150 O O1A . CLA BH 23 . ? -0.465 25.201 42.416 1.00 82.65 ? 511 CLA c O1A 1 +HETATM 58151 O O2A . CLA BH 23 . ? 1.158 26.281 41.218 1.00 80.37 ? 511 CLA c O2A 1 +HETATM 58152 N NB . CLA BH 23 . ? -1.846 24.311 34.302 1.00 69.80 ? 511 CLA c NB 1 +HETATM 58153 C C1B . CLA BH 23 . ? -2.938 24.882 34.829 1.00 65.71 ? 511 CLA c C1B 1 +HETATM 58154 C C2B . CLA BH 23 . ? -3.698 25.771 33.889 1.00 68.84 ? 511 CLA c C2B 1 +HETATM 58155 C C3B . CLA BH 23 . ? -2.881 25.660 32.651 1.00 67.45 ? 511 CLA c C3B 1 +HETATM 58156 C C4B . CLA BH 23 . ? -1.780 24.740 33.032 1.00 68.20 ? 511 CLA c C4B 1 +HETATM 58157 C CMB . CLA BH 23 . ? -4.959 26.566 34.126 1.00 68.83 ? 511 CLA c CMB 1 +HETATM 58158 C CAB . CLA BH 23 . ? -3.058 26.273 31.306 1.00 67.24 ? 511 CLA c CAB 1 +HETATM 58159 C CBB . CLA BH 23 . ? -4.251 26.664 30.888 1.00 58.32 ? 511 CLA c CBB 1 +HETATM 58160 N NC . CLA BH 23 . ? 0.670 22.851 33.539 1.00 63.34 ? 511 CLA c NC 1 +HETATM 58161 C C1C . CLA BH 23 . ? 0.465 23.546 32.404 1.00 58.36 ? 511 CLA c C1C 1 +HETATM 58162 C C2C . CLA BH 23 . ? 1.580 23.468 31.412 1.00 63.39 ? 511 CLA c C2C 1 +HETATM 58163 C C3C . CLA BH 23 . ? 2.567 22.603 32.077 1.00 66.13 ? 511 CLA c C3C 1 +HETATM 58164 C C4C . CLA BH 23 . ? 1.899 22.290 33.365 1.00 66.57 ? 511 CLA c C4C 1 +HETATM 58165 C CMC . CLA BH 23 . ? 1.709 24.094 30.050 1.00 61.80 ? 511 CLA c CMC 1 +HETATM 58166 C CAC . CLA BH 23 . ? 3.916 22.148 31.577 1.00 64.29 ? 511 CLA c CAC 1 +HETATM 58167 C CBC . CLA BH 23 . ? 4.893 23.214 32.025 1.00 61.90 ? 511 CLA c CBC 1 +HETATM 58168 N ND . CLA BH 23 . ? 0.923 21.909 36.018 1.00 56.35 ? 511 CLA c ND 1 +HETATM 58169 C C1D . CLA BH 23 . ? 2.160 21.278 35.652 1.00 71.60 ? 511 CLA c C1D 1 +HETATM 58170 C C2D . CLA BH 23 . ? 2.837 20.488 36.713 1.00 57.26 ? 511 CLA c C2D 1 +HETATM 58171 C C3D . CLA BH 23 . ? 1.875 20.697 37.833 1.00 70.12 ? 511 CLA c C3D 1 +HETATM 58172 C C4D . CLA BH 23 . ? 0.841 21.497 37.343 1.00 73.31 ? 511 CLA c C4D 1 +HETATM 58173 C CMD . CLA BH 23 . ? 4.095 19.681 36.787 1.00 58.59 ? 511 CLA c CMD 1 +HETATM 58174 C CAD . CLA BH 23 . ? 1.590 20.413 39.268 1.00 70.63 ? 511 CLA c CAD 1 +HETATM 58175 O OBD . CLA BH 23 . ? 2.312 19.671 40.035 1.00 66.17 ? 511 CLA c OBD 1 +HETATM 58176 C CBD . CLA BH 23 . ? 0.329 21.094 39.647 1.00 62.56 ? 511 CLA c CBD 1 +HETATM 58177 C CGD . CLA BH 23 . ? -0.649 20.099 40.197 1.00 70.02 ? 511 CLA c CGD 1 +HETATM 58178 O O1D . CLA BH 23 . ? -1.187 19.230 39.526 1.00 68.57 ? 511 CLA c O1D 1 +HETATM 58179 O O2D . CLA BH 23 . ? -0.976 20.137 41.606 1.00 72.13 ? 511 CLA c O2D 1 +HETATM 58180 C CED . CLA BH 23 . ? -1.598 18.988 42.175 1.00 65.92 ? 511 CLA c CED 1 +HETATM 58181 C C1 . CLA BH 23 . ? 1.379 27.323 42.145 1.00 73.12 ? 511 CLA c C1 1 +HETATM 58182 C C2 . CLA BH 23 . ? 1.970 28.441 41.341 1.00 77.10 ? 511 CLA c C2 1 +HETATM 58183 C C3 . CLA BH 23 . ? 2.239 29.638 41.866 1.00 86.85 ? 511 CLA c C3 1 +HETATM 58184 C C4 . CLA BH 23 . ? 1.949 29.902 43.318 1.00 86.43 ? 511 CLA c C4 1 +HETATM 58185 C C5 . CLA BH 23 . ? 2.825 30.723 40.990 1.00 71.20 ? 511 CLA c C5 1 +HETATM 58186 C C6 . CLA BH 23 . ? 1.786 31.704 40.428 1.00 78.69 ? 511 CLA c C6 1 +HETATM 58187 C C7 . CLA BH 23 . ? 0.600 31.007 39.766 1.00 84.19 ? 511 CLA c C7 1 +HETATM 58188 C C8 . CLA BH 23 . ? -0.522 31.971 39.403 1.00 76.79 ? 511 CLA c C8 1 +HETATM 58189 C C9 . CLA BH 23 . ? -1.826 31.224 39.133 1.00 79.54 ? 511 CLA c C9 1 +HETATM 58190 C C10 . CLA BH 23 . ? -0.125 32.796 38.188 1.00 78.72 ? 511 CLA c C10 1 +HETATM 58191 C C11 . CLA BH 23 . ? -1.340 33.579 37.710 1.00 73.39 ? 511 CLA c C11 1 +HETATM 58192 C C12 . CLA BH 23 . ? -0.940 34.974 37.272 1.00 69.78 ? 511 CLA c C12 1 +HETATM 58193 C C13 . CLA BH 23 . ? -2.159 35.741 36.778 1.00 83.36 ? 511 CLA c C13 1 +HETATM 58194 C C14 . CLA BH 23 . ? -1.746 36.885 35.855 1.00 65.17 ? 511 CLA c C14 1 +HETATM 58195 C C15 . CLA BH 23 . ? -2.971 36.220 37.979 1.00 76.65 ? 511 CLA c C15 1 +HETATM 58196 C C16 . CLA BH 23 . ? -4.277 36.904 37.584 1.00 85.40 ? 511 CLA c C16 1 +HETATM 58197 C C17 . CLA BH 23 . ? -5.001 37.412 38.826 1.00 87.61 ? 511 CLA c C17 1 +HETATM 58198 C C18 . CLA BH 23 . ? -6.208 38.277 38.482 1.00 88.83 ? 511 CLA c C18 1 +HETATM 58199 C C19 . CLA BH 23 . ? -6.625 39.094 39.693 1.00 107.76 ? 511 CLA c C19 1 +HETATM 58200 C C20 . CLA BH 23 . ? -7.379 37.423 38.026 1.00 96.93 ? 511 CLA c C20 1 +HETATM 58201 MG MG . CLA CH 23 . ? -20.781 23.573 35.587 1.00 74.38 ? 512 CLA c MG 1 +HETATM 58202 C CHA . CLA CH 23 . ? -18.458 25.251 33.583 1.00 66.76 ? 512 CLA c CHA 1 +HETATM 58203 C CHB . CLA CH 23 . ? -23.075 25.853 34.580 1.00 86.02 ? 512 CLA c CHB 1 +HETATM 58204 C CHC . CLA CH 23 . ? -22.864 22.336 37.996 1.00 67.41 ? 512 CLA c CHC 1 +HETATM 58205 C CHD . CLA CH 23 . ? -17.982 21.640 37.023 1.00 62.54 ? 512 CLA c CHD 1 +HETATM 58206 N NA . CLA CH 23 . ? -20.767 25.263 34.344 1.00 79.00 ? 512 CLA c NA 1 +HETATM 58207 C C1A . CLA CH 23 . ? -19.873 25.724 33.539 1.00 72.81 ? 512 CLA c C1A 1 +HETATM 58208 C C2A . CLA CH 23 . ? -20.273 26.885 32.650 1.00 77.73 ? 512 CLA c C2A 1 +HETATM 58209 C C3A . CLA CH 23 . ? -21.742 27.037 33.019 1.00 80.69 ? 512 CLA c C3A 1 +HETATM 58210 C C4A . CLA CH 23 . ? -21.862 25.967 34.045 1.00 71.32 ? 512 CLA c C4A 1 +HETATM 58211 C CMA . CLA CH 23 . ? -21.971 28.358 33.749 1.00 75.95 ? 512 CLA c CMA 1 +HETATM 58212 C CAA . CLA CH 23 . ? -20.179 26.673 31.136 1.00 81.59 ? 512 CLA c CAA 1 +HETATM 58213 C CBA . CLA CH 23 . ? -20.968 27.797 30.450 1.00 93.60 ? 512 CLA c CBA 1 +HETATM 58214 C CGA . CLA CH 23 . ? -20.833 27.805 28.943 1.00 94.71 ? 512 CLA c CGA 1 +HETATM 58215 O O1A . CLA CH 23 . ? -19.779 28.133 28.430 1.00 100.26 ? 512 CLA c O1A 1 +HETATM 58216 O O2A . CLA CH 23 . ? -21.944 27.447 28.068 1.00 114.78 ? 512 CLA c O2A 1 +HETATM 58217 N NB . CLA CH 23 . ? -22.686 24.033 36.196 1.00 85.30 ? 512 CLA c NB 1 +HETATM 58218 C C1B . CLA CH 23 . ? -23.504 24.945 35.655 1.00 86.07 ? 512 CLA c C1B 1 +HETATM 58219 C C2B . CLA CH 23 . ? -24.865 25.024 36.246 1.00 79.38 ? 512 CLA c C2B 1 +HETATM 58220 C C3B . CLA CH 23 . ? -24.792 23.957 37.263 1.00 97.06 ? 512 CLA c C3B 1 +HETATM 58221 C C4B . CLA CH 23 . ? -23.400 23.421 37.152 1.00 75.54 ? 512 CLA c C4B 1 +HETATM 58222 C CMB . CLA CH 23 . ? -26.025 25.918 35.902 1.00 86.11 ? 512 CLA c CMB 1 +HETATM 58223 C CAB . CLA CH 23 . ? -25.873 23.548 38.192 1.00 94.52 ? 512 CLA c CAB 1 +HETATM 58224 C CBB . CLA CH 23 . ? -25.651 23.434 39.482 1.00 88.05 ? 512 CLA c CBB 1 +HETATM 58225 N NC . CLA CH 23 . ? -20.465 22.262 37.153 1.00 87.93 ? 512 CLA c NC 1 +HETATM 58226 C C1C . CLA CH 23 . ? -21.441 21.914 38.031 1.00 73.65 ? 512 CLA c C1C 1 +HETATM 58227 C C2C . CLA CH 23 . ? -20.980 21.005 39.116 1.00 81.39 ? 512 CLA c C2C 1 +HETATM 58228 C C3C . CLA CH 23 . ? -19.540 20.819 38.825 1.00 76.95 ? 512 CLA c C3C 1 +HETATM 58229 C C4C . CLA CH 23 . ? -19.345 21.628 37.596 1.00 64.19 ? 512 CLA c C4C 1 +HETATM 58230 C CMC . CLA CH 23 . ? -21.764 20.416 40.260 1.00 83.53 ? 512 CLA c CMC 1 +HETATM 58231 C CAC . CLA CH 23 . ? -18.521 19.984 39.575 1.00 69.91 ? 512 CLA c CAC 1 +HETATM 58232 C CBC . CLA CH 23 . ? -17.668 20.950 40.374 1.00 77.62 ? 512 CLA c CBC 1 +HETATM 58233 N ND . CLA CH 23 . ? -18.758 23.418 35.440 1.00 67.67 ? 512 CLA c ND 1 +HETATM 58234 C C1D . CLA CH 23 . ? -17.691 22.612 35.969 1.00 71.16 ? 512 CLA c C1D 1 +HETATM 58235 C C2D . CLA CH 23 . ? -16.347 22.861 35.387 1.00 72.71 ? 512 CLA c C2D 1 +HETATM 58236 C C3D . CLA CH 23 . ? -16.692 23.940 34.411 1.00 61.75 ? 512 CLA c C3D 1 +HETATM 58237 C C4D . CLA CH 23 . ? -18.057 24.168 34.501 1.00 68.03 ? 512 CLA c C4D 1 +HETATM 58238 C CMD . CLA CH 23 . ? -14.967 22.291 35.586 1.00 60.22 ? 512 CLA c CMD 1 +HETATM 58239 C CAD . CLA CH 23 . ? -16.150 24.850 33.371 1.00 70.02 ? 512 CLA c CAD 1 +HETATM 58240 O OBD . CLA CH 23 . ? -14.914 24.884 33.024 1.00 66.28 ? 512 CLA c OBD 1 +HETATM 58241 C CBD . CLA CH 23 . ? -17.255 25.681 32.823 1.00 70.06 ? 512 CLA c CBD 1 +HETATM 58242 C CGD . CLA CH 23 . ? -16.959 27.142 32.892 1.00 76.73 ? 512 CLA c CGD 1 +HETATM 58243 O O1D . CLA CH 23 . ? -16.561 27.749 31.913 1.00 80.02 ? 512 CLA c O1D 1 +HETATM 58244 O O2D . CLA CH 23 . ? -17.113 27.891 34.113 1.00 81.96 ? 512 CLA c O2D 1 +HETATM 58245 C CED . CLA CH 23 . ? -16.370 29.100 34.246 1.00 75.98 ? 512 CLA c CED 1 +HETATM 58246 C C1 . CLA CH 23 . ? -22.156 28.177 26.847 1.00 97.05 ? 512 CLA c C1 1 +HETATM 58247 C C2 . CLA CH 23 . ? -23.519 28.824 26.860 1.00 68.09 ? 512 CLA c C2 1 +HETATM 58248 C C3 . CLA CH 23 . ? -23.623 30.115 27.192 1.00 87.30 ? 512 CLA c C3 1 +HETATM 58249 C C4 . CLA CH 23 . ? -22.381 30.881 27.538 1.00 71.63 ? 512 CLA c C4 1 +HETATM 58250 C C5 . CLA CH 23 . ? -24.981 30.781 27.222 1.00 86.95 ? 512 CLA c C5 1 +HETATM 58251 C C6 . CLA CH 23 . ? -25.305 31.365 28.593 1.00 86.62 ? 512 CLA c C6 1 +HETATM 58252 C C7 . CLA CH 23 . ? -26.436 30.609 29.278 1.00 100.87 ? 512 CLA c C7 1 +HETATM 58253 C C8 . CLA CH 23 . ? -26.724 31.185 30.666 1.00 103.85 ? 512 CLA c C8 1 +HETATM 58254 C C9 . CLA CH 23 . ? -25.454 31.658 31.363 1.00 100.06 ? 512 CLA c C9 1 +HETATM 58255 C C10 . CLA CH 23 . ? -27.438 30.139 31.518 1.00 114.97 ? 512 CLA c C10 1 +HETATM 58256 C C11 . CLA CH 23 . ? -27.548 30.608 32.965 1.00 140.71 ? 512 CLA c C11 1 +HETATM 58257 C C12 . CLA CH 23 . ? -28.216 29.573 33.871 1.00 131.77 ? 512 CLA c C12 1 +HETATM 58258 C C13 . CLA CH 23 . ? -29.719 29.827 33.988 1.00 139.18 ? 512 CLA c C13 1 +HETATM 58259 C C14 . CLA CH 23 . ? -30.018 31.223 34.537 1.00 111.98 ? 512 CLA c C14 1 +HETATM 58260 C C15 . CLA CH 23 . ? -30.361 28.750 34.856 1.00 116.23 ? 512 CLA c C15 1 +HETATM 58261 C C16 . CLA CH 23 . ? -29.691 27.389 34.695 1.00 115.76 ? 512 CLA c C16 1 +HETATM 58262 C C17 . CLA CH 23 . ? -30.723 26.267 34.744 1.00 126.60 ? 512 CLA c C17 1 +HETATM 58263 C C18 . CLA CH 23 . ? -30.428 25.272 35.865 1.00 133.69 ? 512 CLA c C18 1 +HETATM 58264 C C19 . CLA CH 23 . ? -29.242 24.374 35.525 1.00 121.15 ? 512 CLA c C19 1 +HETATM 58265 C C20 . CLA CH 23 . ? -31.666 24.442 36.186 1.00 126.16 ? 512 CLA c C20 1 +HETATM 58266 MG MG . CLA DH 23 . ? -16.278 28.916 42.863 1.00 85.81 ? 513 CLA c MG 1 +HETATM 58267 C CHA . CLA DH 23 . ? -16.556 28.858 46.316 1.00 79.11 ? 513 CLA c CHA 1 +HETATM 58268 C CHB . CLA DH 23 . ? -18.055 26.027 42.777 1.00 90.36 ? 513 CLA c CHB 1 +HETATM 58269 C CHC . CLA DH 23 . ? -16.594 29.387 39.557 1.00 77.89 ? 513 CLA c CHC 1 +HETATM 58270 C CHD . CLA DH 23 . ? -14.772 32.303 43.169 1.00 82.18 ? 513 CLA c CHD 1 +HETATM 58271 N NA . CLA DH 23 . ? -17.174 27.679 44.270 1.00 96.81 ? 513 CLA c NA 1 +HETATM 58272 C C1A . CLA DH 23 . ? -17.172 27.738 45.554 1.00 87.89 ? 513 CLA c C1A 1 +HETATM 58273 C C2A . CLA DH 23 . ? -17.836 26.623 46.303 1.00 92.84 ? 513 CLA c C2A 1 +HETATM 58274 C C3A . CLA DH 23 . ? -18.249 25.710 45.169 1.00 96.34 ? 513 CLA c C3A 1 +HETATM 58275 C C4A . CLA DH 23 . ? -17.788 26.525 43.991 1.00 88.55 ? 513 CLA c C4A 1 +HETATM 58276 C CMA . CLA DH 23 . ? -17.405 24.445 45.259 1.00 75.60 ? 513 CLA c CMA 1 +HETATM 58277 C CAA . CLA DH 23 . ? -19.155 27.153 46.889 1.00 82.04 ? 513 CLA c CAA 1 +HETATM 58278 C CBA . CLA DH 23 . ? -19.911 28.106 45.948 1.00 86.14 ? 513 CLA c CBA 1 +HETATM 58279 C CGA . CLA DH 23 . ? -21.398 28.209 46.249 1.00 93.92 ? 513 CLA c CGA 1 +HETATM 58280 O O1A . CLA DH 23 . ? -21.983 27.330 46.853 1.00 104.18 ? 513 CLA c O1A 1 +HETATM 58281 O O2A . CLA DH 23 . ? -22.176 29.366 45.830 1.00 98.52 ? 513 CLA c O2A 1 +HETATM 58282 N NB . CLA DH 23 . ? -17.244 27.874 41.386 1.00 85.87 ? 513 CLA c NB 1 +HETATM 58283 C C1B . CLA DH 23 . ? -17.733 26.636 41.472 1.00 89.79 ? 513 CLA c C1B 1 +HETATM 58284 C C2B . CLA DH 23 . ? -17.953 25.947 40.161 1.00 69.32 ? 513 CLA c C2B 1 +HETATM 58285 C C3B . CLA DH 23 . ? -17.500 26.981 39.206 1.00 88.52 ? 513 CLA c C3B 1 +HETATM 58286 C C4B . CLA DH 23 . ? -17.108 28.118 40.084 1.00 69.11 ? 513 CLA c C4B 1 +HETATM 58287 C CMB . CLA DH 23 . ? -18.469 24.568 39.861 1.00 66.76 ? 513 CLA c CMB 1 +HETATM 58288 C CAB . CLA DH 23 . ? -17.446 26.916 37.715 1.00 76.19 ? 513 CLA c CAB 1 +HETATM 58289 C CBB . CLA DH 23 . ? -18.504 27.167 36.965 1.00 79.82 ? 513 CLA c CBB 1 +HETATM 58290 N NC . CLA DH 23 . ? -15.720 30.488 41.639 1.00 80.41 ? 513 CLA c NC 1 +HETATM 58291 C C1C . CLA DH 23 . ? -16.083 30.523 40.345 1.00 91.12 ? 513 CLA c C1C 1 +HETATM 58292 C C2C . CLA DH 23 . ? -15.937 31.851 39.683 1.00 96.37 ? 513 CLA c C2C 1 +HETATM 58293 C C3C . CLA DH 23 . ? -15.398 32.708 40.759 1.00 76.86 ? 513 CLA c C3C 1 +HETATM 58294 C C4C . CLA DH 23 . ? -15.298 31.758 41.899 1.00 85.27 ? 513 CLA c C4C 1 +HETATM 58295 C CMC . CLA DH 23 . ? -16.271 32.229 38.264 1.00 82.87 ? 513 CLA c CMC 1 +HETATM 58296 C CAC . CLA DH 23 . ? -15.039 34.179 40.717 1.00 88.25 ? 513 CLA c CAC 1 +HETATM 58297 C CBC . CLA DH 23 . ? -16.286 34.964 41.082 1.00 66.13 ? 513 CLA c CBC 1 +HETATM 58298 N ND . CLA DH 23 . ? -15.809 30.312 44.279 1.00 96.11 ? 513 CLA c ND 1 +HETATM 58299 C C1D . CLA DH 23 . ? -15.119 31.573 44.393 1.00 84.54 ? 513 CLA c C1D 1 +HETATM 58300 C C2D . CLA DH 23 . ? -14.821 32.028 45.777 1.00 82.62 ? 513 CLA c C2D 1 +HETATM 58301 C C3D . CLA DH 23 . ? -15.416 30.892 46.541 1.00 108.05 ? 513 CLA c C3D 1 +HETATM 58302 C C4D . CLA DH 23 . ? -15.940 29.995 45.623 1.00 88.44 ? 513 CLA c C4D 1 +HETATM 58303 C CMD . CLA DH 23 . ? -14.146 33.212 46.412 1.00 79.88 ? 513 CLA c CMD 1 +HETATM 58304 C CAD . CLA DH 23 . ? -15.683 30.347 47.902 1.00 94.90 ? 513 CLA c CAD 1 +HETATM 58305 O OBD . CLA DH 23 . ? -15.328 30.906 48.996 1.00 91.07 ? 513 CLA c OBD 1 +HETATM 58306 C CBD . CLA DH 23 . ? -16.386 29.049 47.788 1.00 104.11 ? 513 CLA c CBD 1 +HETATM 58307 C CGD . CLA DH 23 . ? -15.451 28.036 48.372 1.00 98.27 ? 513 CLA c CGD 1 +HETATM 58308 O O1D . CLA DH 23 . ? -14.434 27.698 47.787 1.00 98.76 ? 513 CLA c O1D 1 +HETATM 58309 O O2D . CLA DH 23 . ? -15.745 27.459 49.668 1.00 117.20 ? 513 CLA c O2D 1 +HETATM 58310 C CED . CLA DH 23 . ? -14.697 26.851 50.426 1.00 115.05 ? 513 CLA c CED 1 +HETATM 58311 C C1 . CLA DH 23 . ? -23.607 29.364 45.919 1.00 108.55 ? 513 CLA c C1 1 +HETATM 58312 C C2 . CLA DH 23 . ? -24.264 29.692 44.593 1.00 104.54 ? 513 CLA c C2 1 +HETATM 58313 C C3 . CLA DH 23 . ? -24.417 30.965 44.175 1.00 103.98 ? 513 CLA c C3 1 +HETATM 58314 C C4 . CLA DH 23 . ? -23.918 32.099 45.023 1.00 113.72 ? 513 CLA c C4 1 +HETATM 58315 C C5 . CLA DH 23 . ? -25.077 31.273 42.845 1.00 102.40 ? 513 CLA c C5 1 +HETATM 58316 C C6 . CLA DH 23 . ? -24.406 32.435 42.116 1.00 103.48 ? 513 CLA c C6 1 +HETATM 58317 C C7 . CLA DH 23 . ? -24.659 32.395 40.608 1.00 104.68 ? 513 CLA c C7 1 +HETATM 58318 C C8 . CLA DH 23 . ? -23.861 33.457 39.844 1.00 126.79 ? 513 CLA c C8 1 +HETATM 58319 C C9 . CLA DH 23 . ? -23.632 34.715 40.676 1.00 127.77 ? 513 CLA c C9 1 +HETATM 58320 C C10 . CLA DH 23 . ? -24.569 33.807 38.537 1.00 104.16 ? 513 CLA c C10 1 +HETATM 58321 C C11 . CLA DH 23 . ? -24.983 32.533 37.808 1.00 135.18 ? 513 CLA c C11 1 +HETATM 58322 C C12 . CLA DH 23 . ? -25.665 32.829 36.474 1.00 148.45 ? 513 CLA c C12 1 +HETATM 58323 C C13 . CLA DH 23 . ? -25.039 31.988 35.368 1.00 139.37 ? 513 CLA c C13 1 +HETATM 58324 C C14 . CLA DH 23 . ? -25.219 30.495 35.640 1.00 122.23 ? 513 CLA c C14 1 +HETATM 58325 C C15 . CLA DH 23 . ? -23.562 32.363 35.278 1.00 133.21 ? 513 CLA c C15 1 +HETATM 58326 C C16 . CLA DH 23 . ? -22.985 32.225 33.874 1.00 129.67 ? 513 CLA c C16 1 +HETATM 58327 C C17 . CLA DH 23 . ? -21.551 32.741 33.823 1.00 122.68 ? 513 CLA c C17 1 +HETATM 58328 C C18 . CLA DH 23 . ? -20.882 32.346 32.512 1.00 101.13 ? 513 CLA c C18 1 +HETATM 58329 C C19 . CLA DH 23 . ? -19.473 32.928 32.420 1.00 101.37 ? 513 CLA c C19 1 +HETATM 58330 C C20 . CLA DH 23 . ? -21.749 32.774 31.338 1.00 109.05 ? 513 CLA c C20 1 +HETATM 58331 C C1 . BCR EH 25 . ? -19.572 49.828 28.552 1.00 82.09 ? 514 BCR c C1 1 +HETATM 58332 C C2 . BCR EH 25 . ? -19.034 50.971 27.707 1.00 77.76 ? 514 BCR c C2 1 +HETATM 58333 C C3 . BCR EH 25 . ? -17.560 50.736 27.443 1.00 76.97 ? 514 BCR c C3 1 +HETATM 58334 C C4 . BCR EH 25 . ? -16.804 50.853 28.757 1.00 72.52 ? 514 BCR c C4 1 +HETATM 58335 C C5 . BCR EH 25 . ? -17.409 49.958 29.811 1.00 71.61 ? 514 BCR c C5 1 +HETATM 58336 C C6 . BCR EH 25 . ? -18.675 49.495 29.730 1.00 71.89 ? 514 BCR c C6 1 +HETATM 58337 C C7 . BCR EH 25 . ? -19.293 48.601 30.748 1.00 73.17 ? 514 BCR c C7 1 +HETATM 58338 C C8 . BCR EH 25 . ? -18.860 47.349 30.954 1.00 86.35 ? 514 BCR c C8 1 +HETATM 58339 C C9 . BCR EH 25 . ? -19.474 46.414 31.919 1.00 82.46 ? 514 BCR c C9 1 +HETATM 58340 C C10 . BCR EH 25 . ? -18.891 45.232 32.175 1.00 83.52 ? 514 BCR c C10 1 +HETATM 58341 C C11 . BCR EH 25 . ? -19.499 44.277 33.100 1.00 78.69 ? 514 BCR c C11 1 +HETATM 58342 C C33 . BCR EH 25 . ? -16.511 49.619 30.964 1.00 78.99 ? 514 BCR c C33 1 +HETATM 58343 C C31 . BCR EH 25 . ? -19.657 48.580 27.683 1.00 84.00 ? 514 BCR c C31 1 +HETATM 58344 C C32 . BCR EH 25 . ? -20.978 50.147 29.049 1.00 79.96 ? 514 BCR c C32 1 +HETATM 58345 C C34 . BCR EH 25 . ? -20.776 46.756 32.580 1.00 93.97 ? 514 BCR c C34 1 +HETATM 58346 C C12 . BCR EH 25 . ? -19.089 43.009 33.074 1.00 84.48 ? 514 BCR c C12 1 +HETATM 58347 C C13 . BCR EH 25 . ? -19.656 41.972 33.967 1.00 92.70 ? 514 BCR c C13 1 +HETATM 58348 C C14 . BCR EH 25 . ? -19.040 40.778 34.063 1.00 88.60 ? 514 BCR c C14 1 +HETATM 58349 C C15 . BCR EH 25 . ? -19.543 39.705 34.914 1.00 73.31 ? 514 BCR c C15 1 +HETATM 58350 C C16 . BCR EH 25 . ? -18.916 38.527 34.938 1.00 88.62 ? 514 BCR c C16 1 +HETATM 58351 C C17 . BCR EH 25 . ? -19.427 37.453 35.790 1.00 88.96 ? 514 BCR c C17 1 +HETATM 58352 C C18 . BCR EH 25 . ? -19.047 36.169 35.653 1.00 98.28 ? 514 BCR c C18 1 +HETATM 58353 C C19 . BCR EH 25 . ? -19.632 35.153 36.561 1.00 87.87 ? 514 BCR c C19 1 +HETATM 58354 C C20 . BCR EH 25 . ? -19.332 33.853 36.572 1.00 84.70 ? 514 BCR c C20 1 +HETATM 58355 C C21 . BCR EH 25 . ? -20.035 33.013 37.544 1.00 81.34 ? 514 BCR c C21 1 +HETATM 58356 C C22 . BCR EH 25 . ? -20.004 31.673 37.521 1.00 86.84 ? 514 BCR c C22 1 +HETATM 58357 C C23 . BCR EH 25 . ? -20.692 30.956 38.446 1.00 88.19 ? 514 BCR c C23 1 +HETATM 58358 C C24 . BCR EH 25 . ? -20.535 29.636 38.655 1.00 80.50 ? 514 BCR c C24 1 +HETATM 58359 C C25 . BCR EH 25 . ? -21.319 28.845 39.650 1.00 76.03 ? 514 BCR c C25 1 +HETATM 58360 C C26 . BCR EH 25 . ? -21.049 28.848 40.970 1.00 76.45 ? 514 BCR c C26 1 +HETATM 58361 C C27 . BCR EH 25 . ? -21.855 28.042 41.954 1.00 79.62 ? 514 BCR c C27 1 +HETATM 58362 C C28 . BCR EH 25 . ? -23.263 27.866 41.421 1.00 88.96 ? 514 BCR c C28 1 +HETATM 58363 C C29 . BCR EH 25 . ? -23.173 27.156 40.084 1.00 86.87 ? 514 BCR c C29 1 +HETATM 58364 C C30 . BCR EH 25 . ? -22.453 28.022 39.061 1.00 91.20 ? 514 BCR c C30 1 +HETATM 58365 C C35 . BCR EH 25 . ? -20.910 42.246 34.747 1.00 85.80 ? 514 BCR c C35 1 +HETATM 58366 C C36 . BCR EH 25 . ? -18.062 35.794 34.584 1.00 94.86 ? 514 BCR c C36 1 +HETATM 58367 C C37 . BCR EH 25 . ? -19.231 30.998 36.429 1.00 91.89 ? 514 BCR c C37 1 +HETATM 58368 C C38 . BCR EH 25 . ? -19.928 29.658 41.546 1.00 79.54 ? 514 BCR c C38 1 +HETATM 58369 C C39 . BCR EH 25 . ? -23.458 28.984 38.428 1.00 85.07 ? 514 BCR c C39 1 +HETATM 58370 C C40 . BCR EH 25 . ? -21.866 27.108 37.990 1.00 83.26 ? 514 BCR c C40 1 +HETATM 58371 C C1 . BCR FH 25 . ? -19.506 2.783 21.233 1.00 66.77 ? 515 BCR c C1 1 +HETATM 58372 C C2 . BCR FH 25 . ? -19.338 1.304 21.547 1.00 63.19 ? 515 BCR c C2 1 +HETATM 58373 C C3 . BCR FH 25 . ? -20.506 0.496 21.011 1.00 75.18 ? 515 BCR c C3 1 +HETATM 58374 C C4 . BCR FH 25 . ? -20.577 0.628 19.496 1.00 74.22 ? 515 BCR c C4 1 +HETATM 58375 C C5 . BCR FH 25 . ? -20.569 2.078 19.065 1.00 78.04 ? 515 BCR c C5 1 +HETATM 58376 C C6 . BCR FH 25 . ? -20.085 3.058 19.858 1.00 65.15 ? 515 BCR c C6 1 +HETATM 58377 C C7 . BCR FH 25 . ? -20.076 4.476 19.424 1.00 67.55 ? 515 BCR c C7 1 +HETATM 58378 C C8 . BCR FH 25 . ? -21.184 5.213 19.264 1.00 64.89 ? 515 BCR c C8 1 +HETATM 58379 C C9 . BCR FH 25 . ? -21.098 6.624 18.830 1.00 58.58 ? 515 BCR c C9 1 +HETATM 58380 C C10 . BCR FH 25 . ? -22.193 7.236 18.332 1.00 70.75 ? 515 BCR c C10 1 +HETATM 58381 C C11 . BCR FH 25 . ? -22.223 8.636 17.884 1.00 62.40 ? 515 BCR c C11 1 +HETATM 58382 C C33 . BCR FH 25 . ? -21.124 2.360 17.693 1.00 74.18 ? 515 BCR c C33 1 +HETATM 58383 C C31 . BCR FH 25 . ? -18.134 3.435 21.341 1.00 66.71 ? 515 BCR c C31 1 +HETATM 58384 C C32 . BCR FH 25 . ? -20.461 3.409 22.237 1.00 86.79 ? 515 BCR c C32 1 +HETATM 58385 C C34 . BCR FH 25 . ? -19.798 7.356 18.986 1.00 57.99 ? 515 BCR c C34 1 +HETATM 58386 C C12 . BCR FH 25 . ? -23.396 9.215 17.607 1.00 61.47 ? 515 BCR c C12 1 +HETATM 58387 C C13 . BCR FH 25 . ? -23.523 10.631 17.160 1.00 67.87 ? 515 BCR c C13 1 +HETATM 58388 C C14 . BCR FH 25 . ? -24.746 11.123 16.880 1.00 70.65 ? 515 BCR c C14 1 +HETATM 58389 C C15 . BCR FH 25 . ? -24.979 12.495 16.423 1.00 59.94 ? 515 BCR c C15 1 +HETATM 58390 C C16 . BCR FH 25 . ? -26.198 13.048 16.460 1.00 59.32 ? 515 BCR c C16 1 +HETATM 58391 C C17 . BCR FH 25 . ? -26.383 14.430 15.977 1.00 68.44 ? 515 BCR c C17 1 +HETATM 58392 C C18 . BCR FH 25 . ? -27.586 15.039 15.863 1.00 65.76 ? 515 BCR c C18 1 +HETATM 58393 C C19 . BCR FH 25 . ? -27.626 16.420 15.343 1.00 64.32 ? 515 BCR c C19 1 +HETATM 58394 C C20 . BCR FH 25 . ? -28.728 17.163 15.238 1.00 64.28 ? 515 BCR c C20 1 +HETATM 58395 C C21 . BCR FH 25 . ? -28.537 18.492 14.658 1.00 67.12 ? 515 BCR c C21 1 +HETATM 58396 C C22 . BCR FH 25 . ? -29.537 19.292 14.241 1.00 71.56 ? 515 BCR c C22 1 +HETATM 58397 C C23 . BCR FH 25 . ? -29.220 20.480 13.681 1.00 65.78 ? 515 BCR c C23 1 +HETATM 58398 C C24 . BCR FH 25 . ? -30.086 21.273 13.033 1.00 66.23 ? 515 BCR c C24 1 +HETATM 58399 C C25 . BCR FH 25 . ? -29.702 22.570 12.392 1.00 60.57 ? 515 BCR c C25 1 +HETATM 58400 C C26 . BCR FH 25 . ? -29.234 23.621 13.103 1.00 70.60 ? 515 BCR c C26 1 +HETATM 58401 C C27 . BCR FH 25 . ? -28.842 24.936 12.448 1.00 63.78 ? 515 BCR c C27 1 +HETATM 58402 C C28 . BCR FH 25 . ? -28.530 24.741 10.972 1.00 70.29 ? 515 BCR c C28 1 +HETATM 58403 C C29 . BCR FH 25 . ? -29.698 24.031 10.304 1.00 61.01 ? 515 BCR c C29 1 +HETATM 58404 C C30 . BCR FH 25 . ? -29.866 22.634 10.878 1.00 71.24 ? 515 BCR c C30 1 +HETATM 58405 C C35 . BCR FH 25 . ? -22.310 11.504 17.025 1.00 57.61 ? 515 BCR c C35 1 +HETATM 58406 C C36 . BCR FH 25 . ? -28.863 14.336 16.224 1.00 58.05 ? 515 BCR c C36 1 +HETATM 58407 C C37 . BCR FH 25 . ? -30.956 18.837 14.386 1.00 86.10 ? 515 BCR c C37 1 +HETATM 58408 C C38 . BCR FH 25 . ? -29.064 23.557 14.599 1.00 62.50 ? 515 BCR c C38 1 +HETATM 58409 C C39 . BCR FH 25 . ? -28.795 21.765 10.223 1.00 64.73 ? 515 BCR c C39 1 +HETATM 58410 C C40 . BCR FH 25 . ? -31.259 22.106 10.529 1.00 68.94 ? 515 BCR c C40 1 +HETATM 58411 C C1A A DGD GH 35 . ? -17.219 16.242 1.633 0.40 69.86 ? 516 DGD c C1A 1 +HETATM 58412 C C1A B DGD GH 35 . ? -17.168 16.279 1.673 0.60 69.93 ? 516 DGD c C1A 1 +HETATM 58413 C C2A A DGD GH 35 . ? -17.305 15.001 2.505 0.40 72.54 ? 516 DGD c C2A 1 +HETATM 58414 C C2A B DGD GH 35 . ? -17.256 15.045 2.547 0.60 72.69 ? 516 DGD c C2A 1 +HETATM 58415 C C3A A DGD GH 35 . ? -17.025 13.713 1.744 0.40 68.27 ? 516 DGD c C3A 1 +HETATM 58416 C C3A B DGD GH 35 . ? -17.048 13.763 1.758 0.60 68.27 ? 516 DGD c C3A 1 +HETATM 58417 C C4A A DGD GH 35 . ? -16.572 12.635 2.733 0.40 75.03 ? 516 DGD c C4A 1 +HETATM 58418 C C4A B DGD GH 35 . ? -16.573 12.664 2.707 0.60 75.09 ? 516 DGD c C4A 1 +HETATM 58419 C C5A A DGD GH 35 . ? -17.611 12.350 3.812 0.40 77.29 ? 516 DGD c C5A 1 +HETATM 58420 C C5A B DGD GH 35 . ? -17.537 12.435 3.867 0.60 77.20 ? 516 DGD c C5A 1 +HETATM 58421 C C6A A DGD GH 35 . ? -17.002 11.519 4.937 0.40 86.94 ? 516 DGD c C6A 1 +HETATM 58422 C C6A B DGD GH 35 . ? -16.915 11.486 4.887 0.60 86.93 ? 516 DGD c C6A 1 +HETATM 58423 C C7A A DGD GH 35 . ? -18.042 11.053 5.954 0.40 90.19 ? 516 DGD c C7A 1 +HETATM 58424 C C7A B DGD GH 35 . ? -17.910 11.018 5.947 0.60 90.10 ? 516 DGD c C7A 1 +HETATM 58425 C C8A A DGD GH 35 . ? -18.450 9.603 5.690 0.40 102.34 ? 516 DGD c C8A 1 +HETATM 58426 C C8A B DGD GH 35 . ? -18.422 9.616 5.624 0.60 102.44 ? 516 DGD c C8A 1 +HETATM 58427 C C9A A DGD GH 35 . ? -19.254 9.005 6.845 0.40 104.73 ? 516 DGD c C9A 1 +HETATM 58428 C C9A B DGD GH 35 . ? -19.204 9.005 6.785 0.60 104.86 ? 516 DGD c C9A 1 +HETATM 58429 C CAA A DGD GH 35 . ? -18.389 8.158 7.771 0.40 95.24 ? 516 DGD c CAA 1 +HETATM 58430 C CAA B DGD GH 35 . ? -18.301 8.244 7.749 0.60 95.07 ? 516 DGD c CAA 1 +HETATM 58431 C CBA A DGD GH 35 . ? -19.111 7.928 9.092 0.40 103.74 ? 516 DGD c CBA 1 +HETATM 58432 C CBA B DGD GH 35 . ? -19.037 7.979 9.056 0.60 103.67 ? 516 DGD c CBA 1 +HETATM 58433 C CCA A DGD GH 35 . ? -18.332 8.526 10.264 0.40 110.98 ? 516 DGD c CCA 1 +HETATM 58434 C CCA B DGD GH 35 . ? -18.289 8.577 10.244 0.60 111.05 ? 516 DGD c CCA 1 +HETATM 58435 C CDA A DGD GH 35 . ? -19.231 9.380 11.159 0.40 113.89 ? 516 DGD c CDA 1 +HETATM 58436 C CDA B DGD GH 35 . ? -19.236 9.367 11.145 0.60 114.06 ? 516 DGD c CDA 1 +HETATM 58437 C CEA A DGD GH 35 . ? -18.666 9.481 12.572 0.40 108.19 ? 516 DGD c CEA 1 +HETATM 58438 C CEA B DGD GH 35 . ? -18.692 9.457 12.565 0.60 108.23 ? 516 DGD c CEA 1 +HETATM 58439 C CFA A DGD GH 35 . ? -18.713 8.116 13.249 0.40 100.98 ? 516 DGD c CFA 1 +HETATM 58440 C CFA B DGD GH 35 . ? -18.712 8.084 13.223 0.60 100.95 ? 516 DGD c CFA 1 +HETATM 58441 C CGA A DGD GH 35 . ? -17.849 8.097 14.500 0.40 94.10 ? 516 DGD c CGA 1 +HETATM 58442 C CGA B DGD GH 35 . ? -17.892 8.096 14.502 0.60 94.12 ? 516 DGD c CGA 1 +HETATM 58443 O O1A A DGD GH 35 . ? -17.098 16.236 0.424 0.40 66.13 ? 516 DGD c O1A 1 +HETATM 58444 O O1A B DGD GH 35 . ? -17.118 16.243 0.455 0.60 66.21 ? 516 DGD c O1A 1 +HETATM 58445 C C1B A DGD GH 35 . ? -19.674 18.249 4.903 0.40 64.82 ? 516 DGD c C1B 1 +HETATM 58446 C C1B B DGD GH 35 . ? -19.586 18.236 4.926 0.60 64.85 ? 516 DGD c C1B 1 +HETATM 58447 C C2B A DGD GH 35 . ? -19.397 18.345 6.384 0.40 65.19 ? 516 DGD c C2B 1 +HETATM 58448 C C2B B DGD GH 35 . ? -19.283 18.366 6.397 0.60 65.09 ? 516 DGD c C2B 1 +HETATM 58449 C C3B A DGD GH 35 . ? -18.906 16.997 6.870 0.40 69.88 ? 516 DGD c C3B 1 +HETATM 58450 C C3B B DGD GH 35 . ? -18.887 16.999 6.922 0.60 69.97 ? 516 DGD c C3B 1 +HETATM 58451 C C4B A DGD GH 35 . ? -17.651 16.598 6.116 0.40 68.94 ? 516 DGD c C4B 1 +HETATM 58452 C C4B B DGD GH 35 . ? -17.661 16.497 6.182 0.60 69.01 ? 516 DGD c C4B 1 +HETATM 58453 C C5B A DGD GH 35 . ? -16.485 16.478 7.088 0.40 64.63 ? 516 DGD c C5B 1 +HETATM 58454 C C5B B DGD GH 35 . ? -16.487 16.393 7.144 0.60 64.40 ? 516 DGD c C5B 1 +HETATM 58455 C C6B A DGD GH 35 . ? -15.221 16.050 6.350 0.40 72.42 ? 516 DGD c C6B 1 +HETATM 58456 C C6B B DGD GH 35 . ? -15.223 15.988 6.402 0.60 72.42 ? 516 DGD c C6B 1 +HETATM 58457 C C7B A DGD GH 35 . ? -14.349 15.277 7.324 0.40 78.45 ? 516 DGD c C7B 1 +HETATM 58458 C C7B B DGD GH 35 . ? -14.306 15.260 7.367 0.60 78.63 ? 516 DGD c C7B 1 +HETATM 58459 C C8B A DGD GH 35 . ? -13.081 14.726 6.686 0.40 67.25 ? 516 DGD c C8B 1 +HETATM 58460 C C8B B DGD GH 35 . ? -13.061 14.702 6.693 0.60 67.23 ? 516 DGD c C8B 1 +HETATM 58461 C C9B A DGD GH 35 . ? -12.432 13.773 7.685 0.40 64.06 ? 516 DGD c C9B 1 +HETATM 58462 C C9B B DGD GH 35 . ? -12.422 13.719 7.662 0.60 64.04 ? 516 DGD c C9B 1 +HETATM 58463 C CAB A DGD GH 35 . ? -10.958 13.578 7.383 0.40 59.25 ? 516 DGD c CAB 1 +HETATM 58464 C CAB B DGD GH 35 . ? -10.937 13.552 7.399 0.60 59.20 ? 516 DGD c CAB 1 +HETATM 58465 C CBB A DGD GH 35 . ? -10.193 13.327 8.664 0.40 61.09 ? 516 DGD c CBB 1 +HETATM 58466 C CBB B DGD GH 35 . ? -10.242 13.196 8.697 0.60 61.06 ? 516 DGD c CBB 1 +HETATM 58467 C CCB A DGD GH 35 . ? -8.871 12.626 8.396 0.40 62.18 ? 516 DGD c CCB 1 +HETATM 58468 C CCB B DGD GH 35 . ? -8.815 12.714 8.479 0.60 62.29 ? 516 DGD c CCB 1 +HETATM 58469 C CDB A DGD GH 35 . ? -8.472 11.832 9.630 0.40 66.18 ? 516 DGD c CDB 1 +HETATM 58470 C CDB B DGD GH 35 . ? -8.464 11.749 9.605 0.60 66.21 ? 516 DGD c CDB 1 +HETATM 58471 C CEB A DGD GH 35 . ? -7.039 11.327 9.557 0.40 65.08 ? 516 DGD c CEB 1 +HETATM 58472 C CEB B DGD GH 35 . ? -7.082 11.133 9.450 0.60 65.37 ? 516 DGD c CEB 1 +HETATM 58473 C CFB A DGD GH 35 . ? -6.951 10.002 10.303 0.40 62.28 ? 516 DGD c CFB 1 +HETATM 58474 C CFB B DGD GH 35 . ? -6.974 9.896 10.336 0.60 62.20 ? 516 DGD c CFB 1 +HETATM 58475 C CGB A DGD GH 35 . ? -5.508 9.720 10.705 0.40 68.18 ? 516 DGD c CGB 1 +HETATM 58476 C CGB B DGD GH 35 . ? -5.531 9.665 10.772 0.60 68.39 ? 516 DGD c CGB 1 +HETATM 58477 O O1B A DGD GH 35 . ? -20.634 17.622 4.491 0.40 59.11 ? 516 DGD c O1B 1 +HETATM 58478 O O1B B DGD GH 35 . ? -20.509 17.535 4.534 0.60 59.05 ? 516 DGD c O1B 1 +HETATM 58479 O O1G A DGD GH 35 . ? -17.290 17.522 2.277 0.40 67.54 ? 516 DGD c O1G 1 +HETATM 58480 O O1G B DGD GH 35 . ? -17.151 17.564 2.326 0.60 68.03 ? 516 DGD c O1G 1 +HETATM 58481 C C1G A DGD GH 35 . ? -18.049 18.556 1.688 0.40 63.80 ? 516 DGD c C1G 1 +HETATM 58482 C C1G B DGD GH 35 . ? -17.894 18.636 1.771 0.60 63.81 ? 516 DGD c C1G 1 +HETATM 58483 C C2G A DGD GH 35 . ? -19.240 18.763 2.606 0.40 67.03 ? 516 DGD c C2G 1 +HETATM 58484 C C2G B DGD GH 35 . ? -19.142 18.767 2.623 0.60 67.20 ? 516 DGD c C2G 1 +HETATM 58485 O O2G A DGD GH 35 . ? -18.782 18.898 3.956 0.40 66.82 ? 516 DGD c O2G 1 +HETATM 58486 O O2G B DGD GH 35 . ? -18.747 18.954 3.980 0.60 66.95 ? 516 DGD c O2G 1 +HETATM 58487 C C3G A DGD GH 35 . ? -19.941 20.008 2.086 0.40 57.04 ? 516 DGD c C3G 1 +HETATM 58488 C C3G B DGD GH 35 . ? -19.891 19.976 2.094 0.60 56.92 ? 516 DGD c C3G 1 +HETATM 58489 O O3G A DGD GH 35 . ? -20.406 19.630 0.791 0.40 60.64 ? 516 DGD c O3G 1 +HETATM 58490 O O3G B DGD GH 35 . ? -20.379 19.605 0.812 0.60 60.76 ? 516 DGD c O3G 1 +HETATM 58491 C C1D A DGD GH 35 . ? -20.438 20.729 -0.096 0.40 60.29 ? 516 DGD c C1D 1 +HETATM 58492 C C1D B DGD GH 35 . ? -20.436 20.716 -0.066 0.60 60.38 ? 516 DGD c C1D 1 +HETATM 58493 C C2D A DGD GH 35 . ? -20.657 20.184 -1.514 0.40 55.11 ? 516 DGD c C2D 1 +HETATM 58494 C C2D B DGD GH 35 . ? -20.631 20.188 -1.493 0.60 55.08 ? 516 DGD c C2D 1 +HETATM 58495 O O2D A DGD GH 35 . ? -19.433 19.603 -1.978 0.40 52.30 ? 516 DGD c O2D 1 +HETATM 58496 O O2D B DGD GH 35 . ? -19.395 19.622 -1.933 0.60 52.22 ? 516 DGD c O2D 1 +HETATM 58497 C C3D A DGD GH 35 . ? -21.082 21.290 -2.481 0.40 55.50 ? 516 DGD c C3D 1 +HETATM 58498 C C3D B DGD GH 35 . ? -21.052 21.291 -2.467 0.60 55.52 ? 516 DGD c C3D 1 +HETATM 58499 O O3D A DGD GH 35 . ? -21.468 20.718 -3.737 0.40 57.61 ? 516 DGD c O3D 1 +HETATM 58500 O O3D B DGD GH 35 . ? -21.410 20.740 -3.747 0.60 57.70 ? 516 DGD c O3D 1 +HETATM 58501 C C4D A DGD GH 35 . ? -22.249 22.069 -1.902 0.40 48.18 ? 516 DGD c C4D 1 +HETATM 58502 C C4D B DGD GH 35 . ? -22.236 22.040 -1.896 0.60 47.92 ? 516 DGD c C4D 1 +HETATM 58503 O O4D A DGD GH 35 . ? -23.369 21.177 -1.816 0.40 50.07 ? 516 DGD c O4D 1 +HETATM 58504 O O4D B DGD GH 35 . ? -23.351 21.144 -1.825 0.60 49.93 ? 516 DGD c O4D 1 +HETATM 58505 C C5D A DGD GH 35 . ? -21.903 22.595 -0.510 0.40 61.12 ? 516 DGD c C5D 1 +HETATM 58506 C C5D B DGD GH 35 . ? -21.907 22.564 -0.496 0.60 61.31 ? 516 DGD c C5D 1 +HETATM 58507 O O5D A DGD GH 35 . ? -23.041 24.671 -0.308 0.40 56.68 ? 516 DGD c O5D 1 +HETATM 58508 O O5D B DGD GH 35 . ? -23.023 24.634 -0.349 0.60 56.67 ? 516 DGD c O5D 1 +HETATM 58509 C C6D A DGD GH 35 . ? -23.080 23.317 0.129 0.40 57.14 ? 516 DGD c C6D 1 +HETATM 58510 C C6D B DGD GH 35 . ? -23.097 23.292 0.104 0.60 57.19 ? 516 DGD c C6D 1 +HETATM 58511 O O6D A DGD GH 35 . ? -21.517 21.542 0.366 0.40 54.97 ? 516 DGD c O6D 1 +HETATM 58512 O O6D B DGD GH 35 . ? -21.533 21.510 0.385 0.60 54.88 ? 516 DGD c O6D 1 +HETATM 58513 C C1E A DGD GH 35 . ? -24.239 25.042 -0.994 0.40 56.56 ? 516 DGD c C1E 1 +HETATM 58514 C C1E B DGD GH 35 . ? -24.209 25.050 -1.024 0.60 56.59 ? 516 DGD c C1E 1 +HETATM 58515 C C2E A DGD GH 35 . ? -23.847 25.898 -2.198 0.40 57.32 ? 516 DGD c C2E 1 +HETATM 58516 C C2E B DGD GH 35 . ? -23.790 25.929 -2.199 0.60 57.19 ? 516 DGD c C2E 1 +HETATM 58517 O O2E A DGD GH 35 . ? -23.087 25.166 -3.165 0.40 56.16 ? 516 DGD c O2E 1 +HETATM 58518 O O2E B DGD GH 35 . ? -23.030 25.199 -3.176 0.60 56.13 ? 516 DGD c O2E 1 +HETATM 58519 C C3E A DGD GH 35 . ? -22.998 27.023 -1.659 0.40 59.00 ? 516 DGD c C3E 1 +HETATM 58520 C C3E B DGD GH 35 . ? -22.937 27.036 -1.629 0.60 59.05 ? 516 DGD c C3E 1 +HETATM 58521 O O3E A DGD GH 35 . ? -22.521 27.800 -2.758 0.40 57.56 ? 516 DGD c O3E 1 +HETATM 58522 O O3E B DGD GH 35 . ? -22.459 27.831 -2.715 0.60 57.62 ? 516 DGD c O3E 1 +HETATM 58523 C C4E A DGD GH 35 . ? -23.848 27.853 -0.697 0.40 59.54 ? 516 DGD c C4E 1 +HETATM 58524 C C4E B DGD GH 35 . ? -23.797 27.851 -0.667 0.60 59.58 ? 516 DGD c C4E 1 +HETATM 58525 O O4E A DGD GH 35 . ? -24.931 28.463 -1.416 0.40 59.77 ? 516 DGD c O4E 1 +HETATM 58526 O O4E B DGD GH 35 . ? -24.881 28.445 -1.390 0.60 59.85 ? 516 DGD c O4E 1 +HETATM 58527 C C5E A DGD GH 35 . ? -24.429 26.990 0.425 0.40 55.37 ? 516 DGD c C5E 1 +HETATM 58528 C C5E B DGD GH 35 . ? -24.387 26.970 0.436 0.60 55.27 ? 516 DGD c C5E 1 +HETATM 58529 O O6E A DGD GH 35 . ? -25.055 25.807 -0.087 0.40 53.23 ? 516 DGD c O6E 1 +HETATM 58530 O O6E B DGD GH 35 . ? -25.017 25.800 -0.108 0.60 53.09 ? 516 DGD c O6E 1 +HETATM 58531 C C6E A DGD GH 35 . ? -25.401 27.768 1.332 0.40 55.96 ? 516 DGD c C6E 1 +HETATM 58532 C C6E B DGD GH 35 . ? -25.367 27.738 1.337 0.60 55.87 ? 516 DGD c C6E 1 +HETATM 58533 O O5E A DGD GH 35 . ? -24.833 29.034 1.718 0.40 58.29 ? 516 DGD c O5E 1 +HETATM 58534 O O5E B DGD GH 35 . ? -24.816 29.010 1.730 0.60 58.37 ? 516 DGD c O5E 1 +HETATM 58535 C C1A A DGD HH 35 . ? 4.276 37.122 12.662 0.40 65.31 ? 517 DGD c C1A 1 +HETATM 58536 C C1A B DGD HH 35 . ? 4.357 37.135 12.596 0.60 65.04 ? 517 DGD c C1A 1 +HETATM 58537 C C2A A DGD HH 35 . ? 5.529 37.245 13.496 0.40 76.70 ? 517 DGD c C2A 1 +HETATM 58538 C C2A B DGD HH 35 . ? 5.613 37.236 13.427 0.60 76.68 ? 517 DGD c C2A 1 +HETATM 58539 C C3A A DGD HH 35 . ? 5.562 36.167 14.573 0.40 81.40 ? 517 DGD c C3A 1 +HETATM 58540 C C3A B DGD HH 35 . ? 5.625 36.162 14.508 0.60 81.31 ? 517 DGD c C3A 1 +HETATM 58541 C C4A A DGD HH 35 . ? 6.226 34.891 14.079 0.40 92.39 ? 517 DGD c C4A 1 +HETATM 58542 C C4A B DGD HH 35 . ? 6.249 34.867 14.009 0.60 92.49 ? 517 DGD c C4A 1 +HETATM 58543 C C5A A DGD HH 35 . ? 6.072 33.789 15.122 0.40 95.60 ? 517 DGD c C5A 1 +HETATM 58544 C C5A B DGD HH 35 . ? 6.165 33.804 15.099 0.60 95.69 ? 517 DGD c C5A 1 +HETATM 58545 C C6A A DGD HH 35 . ? 6.537 32.433 14.602 0.40 102.43 ? 517 DGD c C6A 1 +HETATM 58546 C C6A B DGD HH 35 . ? 6.537 32.422 14.574 0.60 102.42 ? 517 DGD c C6A 1 +HETATM 58547 C C7A A DGD HH 35 . ? 5.547 31.364 15.057 0.40 111.21 ? 517 DGD c C7A 1 +HETATM 58548 C C7A B DGD HH 35 . ? 5.542 31.396 15.107 0.60 111.30 ? 517 DGD c C7A 1 +HETATM 58549 C C8A A DGD HH 35 . ? 6.245 30.060 15.403 0.40 105.01 ? 517 DGD c C8A 1 +HETATM 58550 C C8A B DGD HH 35 . ? 6.222 30.069 15.405 0.60 104.83 ? 517 DGD c C8A 1 +HETATM 58551 C C9A A DGD HH 35 . ? 5.743 29.539 16.744 0.40 123.71 ? 517 DGD c C9A 1 +HETATM 58552 C C9A B DGD HH 35 . ? 5.756 29.522 16.748 0.60 123.77 ? 517 DGD c C9A 1 +HETATM 58553 C CAA A DGD HH 35 . ? 6.574 28.358 17.237 0.40 131.30 ? 517 DGD c CAA 1 +HETATM 58554 C CAA B DGD HH 35 . ? 6.635 28.366 17.214 0.60 131.40 ? 517 DGD c CAA 1 +HETATM 58555 C CBA A DGD HH 35 . ? 7.945 28.792 17.752 0.40 137.87 ? 517 DGD c CBA 1 +HETATM 58556 C CBA B DGD HH 35 . ? 8.005 28.847 17.686 0.60 138.06 ? 517 DGD c CBA 1 +HETATM 58557 C CCA A DGD HH 35 . ? 9.070 28.336 16.822 0.40 138.90 ? 517 DGD c CCA 1 +HETATM 58558 C CCA B DGD HH 35 . ? 9.123 28.375 16.757 0.60 139.11 ? 517 DGD c CCA 1 +HETATM 58559 C CDA A DGD HH 35 . ? 9.734 29.514 16.111 0.40 129.18 ? 517 DGD c CDA 1 +HETATM 58560 C CDA B DGD HH 35 . ? 9.773 29.542 16.013 0.60 129.25 ? 517 DGD c CDA 1 +HETATM 58561 C CEA A DGD HH 35 . ? 9.655 29.358 14.595 0.40 122.00 ? 517 DGD c CEA 1 +HETATM 58562 C CEA B DGD HH 35 . ? 9.581 29.409 14.503 0.60 122.12 ? 517 DGD c CEA 1 +HETATM 58563 C CFA A DGD HH 35 . ? 10.072 30.640 13.885 0.40 104.30 ? 517 DGD c CFA 1 +HETATM 58564 C CFA B DGD HH 35 . ? 10.055 30.653 13.758 0.60 104.12 ? 517 DGD c CFA 1 +HETATM 58565 C CGA A DGD HH 35 . ? 11.542 30.561 13.491 0.40 91.83 ? 517 DGD c CGA 1 +HETATM 58566 C CGA B DGD HH 35 . ? 11.562 30.606 13.529 0.60 91.73 ? 517 DGD c CGA 1 +HETATM 58567 O O1A A DGD HH 35 . ? 3.505 36.179 12.768 0.40 73.22 ? 517 DGD c O1A 1 +HETATM 58568 O O1A B DGD HH 35 . ? 3.621 36.163 12.654 0.60 73.23 ? 517 DGD c O1A 1 +HETATM 58569 C C1B A DGD HH 35 . ? 0.230 37.804 13.265 0.40 71.55 ? 517 DGD c C1B 1 +HETATM 58570 C C1B B DGD HH 35 . ? 0.258 37.766 13.282 0.60 71.67 ? 517 DGD c C1B 1 +HETATM 58571 C C2B A DGD HH 35 . ? -0.071 37.177 14.602 0.40 71.11 ? 517 DGD c C2B 1 +HETATM 58572 C C2B B DGD HH 35 . ? -0.079 37.151 14.621 0.60 71.11 ? 517 DGD c C2B 1 +HETATM 58573 C C3B A DGD HH 35 . ? -0.995 35.987 14.402 0.40 73.03 ? 517 DGD c C3B 1 +HETATM 58574 C C3B B DGD HH 35 . ? -0.999 35.953 14.408 0.60 73.07 ? 517 DGD c C3B 1 +HETATM 58575 C C4B A DGD HH 35 . ? -0.324 34.726 14.912 0.40 74.99 ? 517 DGD c C4B 1 +HETATM 58576 C C4B B DGD HH 35 . ? -0.323 34.666 14.853 0.60 74.93 ? 517 DGD c C4B 1 +HETATM 58577 C C5B A DGD HH 35 . ? -1.321 33.920 15.726 0.40 84.58 ? 517 DGD c C5B 1 +HETATM 58578 C C5B B DGD HH 35 . ? -1.265 33.862 15.735 0.60 84.76 ? 517 DGD c C5B 1 +HETATM 58579 C C6B A DGD HH 35 . ? -2.455 33.402 14.853 0.40 83.76 ? 517 DGD c C6B 1 +HETATM 58580 C C6B B DGD HH 35 . ? -2.451 33.333 14.938 0.60 84.03 ? 517 DGD c C6B 1 +HETATM 58581 C C7B A DGD HH 35 . ? -1.941 32.436 13.801 0.40 74.63 ? 517 DGD c C7B 1 +HETATM 58582 C C7B B DGD HH 35 . ? -1.982 32.407 13.829 0.60 74.63 ? 517 DGD c C7B 1 +HETATM 58583 C C8B A DGD HH 35 . ? -3.075 31.535 13.328 0.40 74.44 ? 517 DGD c C8B 1 +HETATM 58584 C C8B B DGD HH 35 . ? -3.140 31.569 13.307 0.60 74.46 ? 517 DGD c C8B 1 +HETATM 58585 C C9B A DGD HH 35 . ? -2.706 30.885 12.002 0.40 73.84 ? 517 DGD c C9B 1 +HETATM 58586 C C9B B DGD HH 35 . ? -2.728 30.884 12.013 0.60 73.92 ? 517 DGD c C9B 1 +HETATM 58587 C CAB A DGD HH 35 . ? -3.410 29.544 11.828 0.40 69.18 ? 517 DGD c CAB 1 +HETATM 58588 C CAB B DGD HH 35 . ? -3.446 29.555 11.833 0.60 69.16 ? 517 DGD c CAB 1 +HETATM 58589 C CBB A DGD HH 35 . ? -2.848 28.860 10.587 0.40 70.73 ? 517 DGD c CBB 1 +HETATM 58590 C CBB B DGD HH 35 . ? -2.920 28.888 10.568 0.60 70.80 ? 517 DGD c CBB 1 +HETATM 58591 C CCB A DGD HH 35 . ? -2.994 27.344 10.686 0.40 79.39 ? 517 DGD c CCB 1 +HETATM 58592 C CCB B DGD HH 35 . ? -2.963 27.369 10.690 0.60 79.66 ? 517 DGD c CCB 1 +HETATM 58593 C CDB A DGD HH 35 . ? -2.228 26.635 9.569 0.40 71.48 ? 517 DGD c CDB 1 +HETATM 58594 C CDB B DGD HH 35 . ? -2.203 26.703 9.545 0.60 71.64 ? 517 DGD c CDB 1 +HETATM 58595 C CEB A DGD HH 35 . ? -0.874 27.310 9.383 0.40 77.98 ? 517 DGD c CEB 1 +HETATM 58596 C CEB B DGD HH 35 . ? -0.854 27.391 9.381 0.60 78.10 ? 517 DGD c CEB 1 +HETATM 58597 C CFB A DGD HH 35 . ? 0.049 26.458 8.530 0.40 69.73 ? 517 DGD c CFB 1 +HETATM 58598 C CFB B DGD HH 35 . ? 0.130 26.507 8.631 0.60 69.95 ? 517 DGD c CFB 1 +HETATM 58599 C CGB A DGD HH 35 . ? 1.427 27.103 8.457 0.40 72.32 ? 517 DGD c CGB 1 +HETATM 58600 C CGB B DGD HH 35 . ? 1.460 27.239 8.502 0.60 72.57 ? 517 DGD c CGB 1 +HETATM 58601 O O1B A DGD HH 35 . ? -0.616 37.919 12.398 0.40 65.80 ? 517 DGD c O1B 1 +HETATM 58602 O O1B B DGD HH 35 . ? -0.580 37.886 12.404 0.60 65.84 ? 517 DGD c O1B 1 +HETATM 58603 O O1G A DGD HH 35 . ? 3.959 38.158 11.712 0.40 67.94 ? 517 DGD c O1G 1 +HETATM 58604 O O1G B DGD HH 35 . ? 3.997 38.223 11.709 0.60 68.08 ? 517 DGD c O1G 1 +HETATM 58605 C C1G A DGD HH 35 . ? 2.740 38.095 10.975 0.40 64.42 ? 517 DGD c C1G 1 +HETATM 58606 C C1G B DGD HH 35 . ? 2.788 38.167 10.958 0.60 64.41 ? 517 DGD c C1G 1 +HETATM 58607 C C2G A DGD HH 35 . ? 1.684 38.883 11.737 0.40 69.60 ? 517 DGD c C2G 1 +HETATM 58608 C C2G B DGD HH 35 . ? 1.708 38.874 11.768 0.60 69.63 ? 517 DGD c C2G 1 +HETATM 58609 O O2G A DGD HH 35 . ? 1.564 38.275 13.006 0.40 68.76 ? 517 DGD c O2G 1 +HETATM 58610 O O2G B DGD HH 35 . ? 1.606 38.218 13.023 0.60 68.84 ? 517 DGD c O2G 1 +HETATM 58611 C C3G A DGD HH 35 . ? 2.115 40.337 11.950 0.40 62.46 ? 517 DGD c C3G 1 +HETATM 58612 C C3G B DGD HH 35 . ? 2.067 40.349 11.977 0.60 62.30 ? 517 DGD c C3G 1 +HETATM 58613 O O3G A DGD HH 35 . ? 2.522 40.904 10.709 0.40 65.56 ? 517 DGD c O3G 1 +HETATM 58614 O O3G B DGD HH 35 . ? 2.544 40.893 10.743 0.60 65.57 ? 517 DGD c O3G 1 +HETATM 58615 C C1D A DGD HH 35 . ? 1.435 41.493 9.999 0.40 62.64 ? 517 DGD c C1D 1 +HETATM 58616 C C1D B DGD HH 35 . ? 1.498 41.508 9.988 0.60 62.56 ? 517 DGD c C1D 1 +HETATM 58617 C C2D A DGD HH 35 . ? 2.011 42.516 9.044 0.40 67.59 ? 517 DGD c C2D 1 +HETATM 58618 C C2D B DGD HH 35 . ? 2.105 42.464 8.976 0.60 67.45 ? 517 DGD c C2D 1 +HETATM 58619 O O2D A DGD HH 35 . ? 2.556 43.588 9.818 0.40 72.27 ? 517 DGD c O2D 1 +HETATM 58620 O O2D B DGD HH 35 . ? 2.718 43.556 9.668 0.60 72.63 ? 517 DGD c O2D 1 +HETATM 58621 C C3D A DGD HH 35 . ? 0.929 43.030 8.099 0.40 68.52 ? 517 DGD c C3D 1 +HETATM 58622 C C3D B DGD HH 35 . ? 1.018 42.993 8.049 0.60 68.56 ? 517 DGD c C3D 1 +HETATM 58623 O O3D A DGD HH 35 . ? 1.493 43.979 7.186 0.40 62.73 ? 517 DGD c O3D 1 +HETATM 58624 O O3D B DGD HH 35 . ? 1.581 43.892 7.091 0.60 62.90 ? 517 DGD c O3D 1 +HETATM 58625 C C4D A DGD HH 35 . ? 0.252 41.876 7.353 0.40 64.97 ? 517 DGD c C4D 1 +HETATM 58626 C C4D B DGD HH 35 . ? 0.322 41.844 7.334 0.60 65.06 ? 517 DGD c C4D 1 +HETATM 58627 O O4D A DGD HH 35 . ? 1.185 41.266 6.443 0.40 61.57 ? 517 DGD c O4D 1 +HETATM 58628 O O4D B DGD HH 35 . ? 1.243 41.206 6.429 0.60 61.46 ? 517 DGD c O4D 1 +HETATM 58629 C C5D A DGD HH 35 . ? -0.239 40.849 8.364 0.40 61.23 ? 517 DGD c C5D 1 +HETATM 58630 C C5D B DGD HH 35 . ? -0.200 40.854 8.373 0.60 61.20 ? 517 DGD c C5D 1 +HETATM 58631 O O5D A DGD HH 35 . ? -1.813 39.846 6.831 0.40 59.22 ? 517 DGD c O5D 1 +HETATM 58632 O O5D B DGD HH 35 . ? -1.779 39.910 6.851 0.60 59.31 ? 517 DGD c O5D 1 +HETATM 58633 C C6D A DGD HH 35 . ? -0.798 39.552 7.769 0.40 58.26 ? 517 DGD c C6D 1 +HETATM 58634 C C6D B DGD HH 35 . ? -0.755 39.570 7.765 0.60 58.22 ? 517 DGD c C6D 1 +HETATM 58635 O O6D A DGD HH 35 . ? 0.832 40.464 9.218 0.40 63.67 ? 517 DGD c O6D 1 +HETATM 58636 O O6D B DGD HH 35 . ? 0.830 40.469 9.280 0.60 63.74 ? 517 DGD c O6D 1 +HETATM 58637 C C1E A DGD HH 35 . ? -3.074 40.084 7.438 0.40 60.58 ? 517 DGD c C1E 1 +HETATM 58638 C C1E B DGD HH 35 . ? -3.045 40.065 7.480 0.60 60.56 ? 517 DGD c C1E 1 +HETATM 58639 C C2E A DGD HH 35 . ? -4.152 39.395 6.612 0.40 58.03 ? 517 DGD c C2E 1 +HETATM 58640 C C2E B DGD HH 35 . ? -4.114 39.370 6.646 0.60 57.95 ? 517 DGD c C2E 1 +HETATM 58641 O O2E A DGD HH 35 . ? -3.813 38.016 6.481 0.40 60.81 ? 517 DGD c O2E 1 +HETATM 58642 O O2E B DGD HH 35 . ? -3.782 37.990 6.501 0.60 60.95 ? 517 DGD c O2E 1 +HETATM 58643 C C3E A DGD HH 35 . ? -4.278 40.001 5.209 0.40 60.65 ? 517 DGD c C3E 1 +HETATM 58644 C C3E B DGD HH 35 . ? -4.221 39.988 5.254 0.60 60.71 ? 517 DGD c C3E 1 +HETATM 58645 O O3E A DGD HH 35 . ? -5.443 39.471 4.565 0.40 56.22 ? 517 DGD c O3E 1 +HETATM 58646 O O3E B DGD HH 35 . ? -5.336 39.411 4.558 0.60 56.17 ? 517 DGD c O3E 1 +HETATM 58647 C C4E A DGD HH 35 . ? -4.442 41.509 5.316 0.40 59.93 ? 517 DGD c C4E 1 +HETATM 58648 C C4E B DGD HH 35 . ? -4.410 41.491 5.375 0.60 59.98 ? 517 DGD c C4E 1 +HETATM 58649 O O4E A DGD HH 35 . ? -5.729 41.706 5.912 0.40 58.10 ? 517 DGD c O4E 1 +HETATM 58650 O O4E B DGD HH 35 . ? -5.706 41.713 5.945 0.60 58.12 ? 517 DGD c O4E 1 +HETATM 58651 C C5E A DGD HH 35 . ? -3.323 42.116 6.171 0.40 58.82 ? 517 DGD c C5E 1 +HETATM 58652 C C5E B DGD HH 35 . ? -3.311 42.091 6.255 0.60 58.71 ? 517 DGD c C5E 1 +HETATM 58653 O O6E A DGD HH 35 . ? -3.252 41.501 7.463 0.40 61.88 ? 517 DGD c O6E 1 +HETATM 58654 O O6E B DGD HH 35 . ? -3.298 41.468 7.545 0.60 61.92 ? 517 DGD c O6E 1 +HETATM 58655 C C6E A DGD HH 35 . ? -3.442 43.631 6.339 0.40 61.36 ? 517 DGD c C6E 1 +HETATM 58656 C C6E B DGD HH 35 . ? -3.414 43.608 6.389 0.60 61.28 ? 517 DGD c C6E 1 +HETATM 58657 O O5E A DGD HH 35 . ? -4.651 43.951 7.037 0.40 68.18 ? 517 DGD c O5E 1 +HETATM 58658 O O5E B DGD HH 35 . ? -4.641 43.969 7.042 0.60 68.33 ? 517 DGD c O5E 1 +HETATM 58659 C C1A . DGD IH 35 . ? 10.915 34.895 7.150 1.00 71.58 ? 518 DGD c C1A 1 +HETATM 58660 C C2A . DGD IH 35 . ? 11.388 33.490 6.880 1.00 69.61 ? 518 DGD c C2A 1 +HETATM 58661 C C3A . DGD IH 35 . ? 10.976 32.644 8.064 1.00 67.64 ? 518 DGD c C3A 1 +HETATM 58662 C C4A . DGD IH 35 . ? 11.740 31.335 8.030 1.00 77.81 ? 518 DGD c C4A 1 +HETATM 58663 C C5A . DGD IH 35 . ? 11.020 30.278 8.849 1.00 74.13 ? 518 DGD c C5A 1 +HETATM 58664 C C6A . DGD IH 35 . ? 11.750 28.956 8.699 1.00 82.77 ? 518 DGD c C6A 1 +HETATM 58665 C C7A . DGD IH 35 . ? 10.815 27.794 8.978 1.00 77.24 ? 518 DGD c C7A 1 +HETATM 58666 C C8A . DGD IH 35 . ? 11.541 26.472 8.762 1.00 70.09 ? 518 DGD c C8A 1 +HETATM 58667 C C9A . DGD IH 35 . ? 10.874 25.384 9.597 1.00 76.26 ? 518 DGD c C9A 1 +HETATM 58668 C CAA . DGD IH 35 . ? 11.417 24.005 9.219 1.00 90.15 ? 518 DGD c CAA 1 +HETATM 58669 C CBA . DGD IH 35 . ? 12.908 23.876 9.525 1.00 83.63 ? 518 DGD c CBA 1 +HETATM 58670 C CCA . DGD IH 35 . ? 13.325 22.411 9.534 1.00 82.03 ? 518 DGD c CCA 1 +HETATM 58671 C CDA . DGD IH 35 . ? 14.620 22.218 10.316 1.00 80.94 ? 518 DGD c CDA 1 +HETATM 58672 C CEA . DGD IH 35 . ? 14.519 20.952 11.158 1.00 67.29 ? 518 DGD c CEA 1 +HETATM 58673 C CFA . DGD IH 35 . ? 15.844 20.645 11.842 1.00 89.68 ? 518 DGD c CFA 1 +HETATM 58674 C CGA . DGD IH 35 . ? 15.599 19.962 13.183 1.00 79.80 ? 518 DGD c CGA 1 +HETATM 58675 O O1A . DGD IH 35 . ? 11.691 35.739 7.554 1.00 74.60 ? 518 DGD c O1A 1 +HETATM 58676 C C1B . DGD IH 35 . ? 5.932 35.833 8.075 1.00 62.64 ? 518 DGD c C1B 1 +HETATM 58677 C C2B . DGD IH 35 . ? 5.390 35.769 9.483 1.00 64.63 ? 518 DGD c C2B 1 +HETATM 58678 C C3B . DGD IH 35 . ? 4.194 34.848 9.625 1.00 69.88 ? 518 DGD c C3B 1 +HETATM 58679 C C4B . DGD IH 35 . ? 4.534 33.383 9.394 1.00 65.83 ? 518 DGD c C4B 1 +HETATM 58680 C C5B . DGD IH 35 . ? 5.783 32.890 10.117 1.00 71.34 ? 518 DGD c C5B 1 +HETATM 58681 C C6B . DGD IH 35 . ? 5.691 31.366 10.122 1.00 71.61 ? 518 DGD c C6B 1 +HETATM 58682 C C7B . DGD IH 35 . ? 6.821 30.614 10.815 1.00 80.56 ? 518 DGD c C7B 1 +HETATM 58683 C C8B . DGD IH 35 . ? 6.492 29.125 10.686 1.00 83.79 ? 518 DGD c C8B 1 +HETATM 58684 C C9B . DGD IH 35 . ? 7.352 28.206 11.550 1.00 106.48 ? 518 DGD c C9B 1 +HETATM 58685 C CAB . DGD IH 35 . ? 6.600 26.915 11.878 1.00 100.81 ? 518 DGD c CAB 1 +HETATM 58686 C CBB . DGD IH 35 . ? 7.210 26.176 13.070 1.00 104.80 ? 518 DGD c CBB 1 +HETATM 58687 C CCB . DGD IH 35 . ? 6.205 25.208 13.689 1.00 99.10 ? 518 DGD c CCB 1 +HETATM 58688 C CDB . DGD IH 35 . ? 6.593 24.796 15.108 1.00 112.46 ? 518 DGD c CDB 1 +HETATM 58689 C CEB . DGD IH 35 . ? 5.461 25.121 16.085 1.00 128.84 ? 518 DGD c CEB 1 +HETATM 58690 C CFB . DGD IH 35 . ? 5.566 24.357 17.405 1.00 128.75 ? 518 DGD c CFB 1 +HETATM 58691 C CGB . DGD IH 35 . ? 6.610 24.945 18.350 1.00 131.26 ? 518 DGD c CGB 1 +HETATM 58692 O O1B . DGD IH 35 . ? 5.316 35.459 7.102 1.00 62.37 ? 518 DGD c O1B 1 +HETATM 58693 O O1G . DGD IH 35 . ? 9.521 35.242 6.951 1.00 61.67 ? 518 DGD c O1G 1 +HETATM 58694 C C1G . DGD IH 35 . ? 9.146 36.567 6.601 1.00 56.63 ? 518 DGD c C1G 1 +HETATM 58695 C C2G . DGD IH 35 . ? 7.634 36.568 6.564 1.00 56.69 ? 518 DGD c C2G 1 +HETATM 58696 O O2G . DGD IH 35 . ? 7.262 36.353 7.900 1.00 60.81 ? 518 DGD c O2G 1 +HETATM 58697 C C3G . DGD IH 35 . ? 7.162 37.931 6.077 1.00 61.64 ? 518 DGD c C3G 1 +HETATM 58698 O O3G . DGD IH 35 . ? 7.842 38.151 4.849 1.00 53.90 ? 518 DGD c O3G 1 +HETATM 58699 C C1D . DGD IH 35 . ? 7.484 39.358 4.213 1.00 55.80 ? 518 DGD c C1D 1 +HETATM 58700 C C2D . DGD IH 35 . ? 8.505 39.509 3.112 1.00 54.92 ? 518 DGD c C2D 1 +HETATM 58701 O O2D . DGD IH 35 . ? 9.781 39.578 3.759 1.00 56.19 ? 518 DGD c O2D 1 +HETATM 58702 C C3D . DGD IH 35 . ? 8.184 40.747 2.285 1.00 55.89 ? 518 DGD c C3D 1 +HETATM 58703 O O3D . DGD IH 35 . ? 9.069 40.871 1.172 1.00 50.94 ? 518 DGD c O3D 1 +HETATM 58704 C C4D . DGD IH 35 . ? 6.751 40.636 1.778 1.00 57.29 ? 518 DGD c C4D 1 +HETATM 58705 O O4D . DGD IH 35 . ? 6.694 39.497 0.923 1.00 53.94 ? 518 DGD c O4D 1 +HETATM 58706 C C5D . DGD IH 35 . ? 5.773 40.397 2.930 1.00 54.15 ? 518 DGD c C5D 1 +HETATM 58707 O O5D . DGD IH 35 . ? 4.101 41.155 1.425 1.00 61.75 ? 518 DGD c O5D 1 +HETATM 58708 C C6D . DGD IH 35 . ? 4.332 40.205 2.465 1.00 55.28 ? 518 DGD c C6D 1 +HETATM 58709 O O6D . DGD IH 35 . ? 6.170 39.249 3.671 1.00 58.64 ? 518 DGD c O6D 1 +HETATM 58710 C C1E . DGD IH 35 . ? 2.743 41.595 1.351 1.00 64.89 ? 518 DGD c C1E 1 +HETATM 58711 C C2E . DGD IH 35 . ? 2.574 42.407 0.065 1.00 64.59 ? 518 DGD c C2E 1 +HETATM 58712 O O2E . DGD IH 35 . ? 3.004 41.652 -1.073 1.00 56.77 ? 518 DGD c O2E 1 +HETATM 58713 C C3E . DGD IH 35 . ? 3.423 43.678 0.130 1.00 65.09 ? 518 DGD c C3E 1 +HETATM 58714 O O3E . DGD IH 35 . ? 3.140 44.493 -0.996 1.00 67.23 ? 518 DGD c O3E 1 +HETATM 58715 C C4E . DGD IH 35 . ? 3.076 44.463 1.379 1.00 67.73 ? 518 DGD c C4E 1 +HETATM 58716 O O4E . DGD IH 35 . ? 1.693 44.848 1.326 1.00 58.95 ? 518 DGD c O4E 1 +HETATM 58717 C C5E . DGD IH 35 . ? 3.318 43.578 2.593 1.00 62.06 ? 518 DGD c C5E 1 +HETATM 58718 O O6E . DGD IH 35 . ? 2.494 42.396 2.523 1.00 66.06 ? 518 DGD c O6E 1 +HETATM 58719 C C6E . DGD IH 35 . ? 3.045 44.343 3.872 1.00 66.33 ? 518 DGD c C6E 1 +HETATM 58720 O O5E . DGD IH 35 . ? 2.967 43.368 4.917 1.00 81.83 ? 518 DGD c O5E 1 +HETATM 58721 C C1 . LMG JH 33 . ? -0.949 44.766 11.677 1.00 75.78 ? 519 LMG c C1 1 +HETATM 58722 O O1 . LMG JH 33 . ? -0.587 44.419 13.004 1.00 77.36 ? 519 LMG c O1 1 +HETATM 58723 C C2 . LMG JH 33 . ? -2.135 43.899 11.260 1.00 72.05 ? 519 LMG c C2 1 +HETATM 58724 O O2 . LMG JH 33 . ? -1.722 42.535 11.215 1.00 62.96 ? 519 LMG c O2 1 +HETATM 58725 C C3 . LMG JH 33 . ? -2.636 44.315 9.888 1.00 67.64 ? 519 LMG c C3 1 +HETATM 58726 O O3 . LMG JH 33 . ? -3.847 43.614 9.580 1.00 62.33 ? 519 LMG c O3 1 +HETATM 58727 C C4 . LMG JH 33 . ? -2.934 45.808 9.863 1.00 71.12 ? 519 LMG c C4 1 +HETATM 58728 O O4 . LMG JH 33 . ? -4.126 46.073 10.616 1.00 68.35 ? 519 LMG c O4 1 +HETATM 58729 C C5 . LMG JH 33 . ? -1.774 46.630 10.423 1.00 69.99 ? 519 LMG c C5 1 +HETATM 58730 O O5 . LMG JH 33 . ? -0.991 48.882 10.334 1.00 96.51 ? 519 LMG c O5 1 +HETATM 58731 C C6 . LMG JH 33 . ? -2.159 48.091 10.578 1.00 67.60 ? 519 LMG c C6 1 +HETATM 58732 O O6 . LMG JH 33 . ? -1.311 46.138 11.676 1.00 70.96 ? 519 LMG c O6 1 +HETATM 58733 C C7 . LMG JH 33 . ? 0.664 44.954 13.430 1.00 73.86 ? 519 LMG c C7 1 +HETATM 58734 C C8 . LMG JH 33 . ? 0.889 44.325 14.804 1.00 90.46 ? 519 LMG c C8 1 +HETATM 58735 C C9 . LMG JH 33 . ? 0.978 42.825 14.614 1.00 77.29 ? 519 LMG c C9 1 +HETATM 58736 O O7 . LMG JH 33 . ? 2.111 44.754 15.398 1.00 110.76 ? 519 LMG c O7 1 +HETATM 58737 C C10 . LMG JH 33 . ? 1.905 45.814 16.379 1.00 103.33 ? 519 LMG c C10 1 +HETATM 58738 O O9 . LMG JH 33 . ? 0.768 46.205 16.609 1.00 95.96 ? 519 LMG c O9 1 +HETATM 58739 C C11 . LMG JH 33 . ? 3.090 46.389 17.119 1.00 78.88 ? 519 LMG c C11 1 +HETATM 58740 C C12 . LMG JH 33 . ? 3.114 45.778 18.515 1.00 83.33 ? 519 LMG c C12 1 +HETATM 58741 C C13 . LMG JH 33 . ? 4.174 44.690 18.592 1.00 86.28 ? 519 LMG c C13 1 +HETATM 58742 C C14 . LMG JH 33 . ? 3.870 43.694 19.706 1.00 109.96 ? 519 LMG c C14 1 +HETATM 58743 C C15 . LMG JH 33 . ? 4.999 42.674 19.817 1.00 97.07 ? 519 LMG c C15 1 +HETATM 58744 C C16 . LMG JH 33 . ? 4.752 41.679 20.947 1.00 118.15 ? 519 LMG c C16 1 +HETATM 58745 C C17 . LMG JH 33 . ? 5.641 40.455 20.760 1.00 131.20 ? 519 LMG c C17 1 +HETATM 58746 C C18 . LMG JH 33 . ? 5.512 39.480 21.926 1.00 124.07 ? 519 LMG c C18 1 +HETATM 58747 C C19 . LMG JH 33 . ? 5.995 38.090 21.519 1.00 120.06 ? 519 LMG c C19 1 +HETATM 58748 C C20 . LMG JH 33 . ? 5.865 37.118 22.686 1.00 117.41 ? 519 LMG c C20 1 +HETATM 58749 C C21 . LMG JH 33 . ? 6.258 35.701 22.291 1.00 113.30 ? 519 LMG c C21 1 +HETATM 58750 C C22 . LMG JH 33 . ? 6.228 34.785 23.509 1.00 136.81 ? 519 LMG c C22 1 +HETATM 58751 C C23 . LMG JH 33 . ? 6.422 33.324 23.116 1.00 145.17 ? 519 LMG c C23 1 +HETATM 58752 C C24 . LMG JH 33 . ? 7.786 33.107 22.466 1.00 161.36 ? 519 LMG c C24 1 +HETATM 58753 C C25 . LMG JH 33 . ? 7.968 31.673 22.007 1.00 147.22 ? 519 LMG c C25 1 +HETATM 58754 O O8 . LMG JH 33 . ? 1.049 42.196 15.889 1.00 81.12 ? 519 LMG c O8 1 +HETATM 58755 C C28 . LMG JH 33 . ? 2.200 41.362 16.176 1.00 94.20 ? 519 LMG c C28 1 +HETATM 58756 O O10 . LMG JH 33 . ? 3.214 41.520 15.519 1.00 95.60 ? 519 LMG c O10 1 +HETATM 58757 C C29 . LMG JH 33 . ? 2.156 40.345 17.289 1.00 109.81 ? 519 LMG c C29 1 +HETATM 58758 C C30 . LMG JH 33 . ? 2.917 39.097 16.862 1.00 105.00 ? 519 LMG c C30 1 +HETATM 58759 C C31 . LMG JH 33 . ? 3.492 38.376 18.072 1.00 100.36 ? 519 LMG c C31 1 +HETATM 58760 C C32 . LMG JH 33 . ? 3.493 36.873 17.848 1.00 91.22 ? 519 LMG c C32 1 +HETATM 58761 C C33 . LMG JH 33 . ? 2.124 36.291 18.174 1.00 82.93 ? 519 LMG c C33 1 +HETATM 58762 C C34 . LMG JH 33 . ? 2.296 35.138 19.154 1.00 98.39 ? 519 LMG c C34 1 +HETATM 58763 C C35 . LMG JH 33 . ? 2.658 33.836 18.443 1.00 100.64 ? 519 LMG c C35 1 +HETATM 58764 C C36 . LMG JH 33 . ? 1.429 32.939 18.269 1.00 111.35 ? 519 LMG c C36 1 +HETATM 58765 C C37 . LMG JH 33 . ? 1.677 31.518 18.775 1.00 97.71 ? 519 LMG c C37 1 +HETATM 58766 C C38 . LMG JH 33 . ? 0.379 30.771 19.096 1.00 85.79 ? 519 LMG c C38 1 +HETATM 58767 C C39 . LMG JH 33 . ? -0.480 30.488 17.867 1.00 86.47 ? 519 LMG c C39 1 +HETATM 58768 C C40 . LMG JH 33 . ? -1.643 29.545 18.184 1.00 84.04 ? 519 LMG c C40 1 +HETATM 58769 C C41 . LMG JH 33 . ? -2.298 29.014 16.908 1.00 96.88 ? 519 LMG c C41 1 +HETATM 58770 C C42 . LMG JH 33 . ? -3.141 27.767 17.158 1.00 91.76 ? 519 LMG c C42 1 +HETATM 58771 C C43 . LMG JH 33 . ? -3.379 26.992 15.876 1.00 85.37 ? 519 LMG c C43 1 +HETATM 58772 C C1 . LMG KH 33 . ? -24.731 53.889 20.990 1.00 157.52 ? 520 LMG c C1 1 +HETATM 58773 O O1 . LMG KH 33 . ? -25.793 52.962 21.234 1.00 166.63 ? 520 LMG c O1 1 +HETATM 58774 C C2 . LMG KH 33 . ? -24.893 54.526 19.623 1.00 150.18 ? 520 LMG c C2 1 +HETATM 58775 O O2 . LMG KH 33 . ? -25.282 53.536 18.665 1.00 154.51 ? 520 LMG c O2 1 +HETATM 58776 C C3 . LMG KH 33 . ? -23.540 55.117 19.271 1.00 135.50 ? 520 LMG c C3 1 +HETATM 58777 O O3 . LMG KH 33 . ? -23.606 55.820 18.021 1.00 151.00 ? 520 LMG c O3 1 +HETATM 58778 C C4 . LMG KH 33 . ? -23.039 56.051 20.378 1.00 145.12 ? 520 LMG c C4 1 +HETATM 58779 O O4 . LMG KH 33 . ? -23.039 57.395 19.869 1.00 173.67 ? 520 LMG c O4 1 +HETATM 58780 C C5 . LMG KH 33 . ? -23.803 56.034 21.721 1.00 152.06 ? 520 LMG c C5 1 +HETATM 58781 O O5 . LMG KH 33 . ? -24.185 57.966 23.145 1.00 155.21 ? 520 LMG c O5 1 +HETATM 58782 C C6 . LMG KH 33 . ? -24.581 57.339 21.916 1.00 175.82 ? 520 LMG c C6 1 +HETATM 58783 O O6 . LMG KH 33 . ? -24.683 54.919 21.977 1.00 147.21 ? 520 LMG c O6 1 +HETATM 58784 C C7 . LMG KH 33 . ? -25.725 52.448 22.563 1.00 134.46 ? 520 LMG c C7 1 +HETATM 58785 C C8 . LMG KH 33 . ? -26.034 50.952 22.622 1.00 154.49 ? 520 LMG c C8 1 +HETATM 58786 C C9 . LMG KH 33 . ? -26.399 50.695 24.078 1.00 146.57 ? 520 LMG c C9 1 +HETATM 58787 O O7 . LMG KH 33 . ? -27.121 50.614 21.748 1.00 190.17 ? 520 LMG c O7 1 +HETATM 58788 C C10 . LMG KH 33 . ? -26.924 49.423 20.910 1.00 172.03 ? 520 LMG c C10 1 +HETATM 58789 O O9 . LMG KH 33 . ? -26.796 49.538 19.697 1.00 163.96 ? 520 LMG c O9 1 +HETATM 58790 C C11 . LMG KH 33 . ? -26.947 48.044 21.528 1.00 137.09 ? 520 LMG c C11 1 +HETATM 58791 C C12 . LMG KH 33 . ? -25.614 47.323 21.382 1.00 104.43 ? 520 LMG c C12 1 +HETATM 58792 C C13 . LMG KH 33 . ? -25.800 45.919 21.938 1.00 114.88 ? 520 LMG c C13 1 +HETATM 58793 C C14 . LMG KH 33 . ? -24.481 45.207 22.194 1.00 95.94 ? 520 LMG c C14 1 +HETATM 58794 C C15 . LMG KH 33 . ? -24.748 43.862 22.859 1.00 89.56 ? 520 LMG c C15 1 +HETATM 58795 C C16 . LMG KH 33 . ? -23.433 43.154 23.163 1.00 97.13 ? 520 LMG c C16 1 +HETATM 58796 C C17 . LMG KH 33 . ? -23.643 41.954 24.078 1.00 94.27 ? 520 LMG c C17 1 +HETATM 58797 C C18 . LMG KH 33 . ? -22.307 41.302 24.430 1.00 90.07 ? 520 LMG c C18 1 +HETATM 58798 C C19 . LMG KH 33 . ? -22.451 40.385 25.639 1.00 83.20 ? 520 LMG c C19 1 +HETATM 58799 C C20 . LMG KH 33 . ? -21.132 39.695 25.955 1.00 84.16 ? 520 LMG c C20 1 +HETATM 58800 C C21 . LMG KH 33 . ? -21.265 38.790 27.176 1.00 82.68 ? 520 LMG c C21 1 +HETATM 58801 C C22 . LMG KH 33 . ? -19.891 38.296 27.606 1.00 76.88 ? 520 LMG c C22 1 +HETATM 58802 C C23 . LMG KH 33 . ? -20.013 37.156 28.608 1.00 77.40 ? 520 LMG c C23 1 +HETATM 58803 C C24 . LMG KH 33 . ? -18.620 36.674 28.991 1.00 73.75 ? 520 LMG c C24 1 +HETATM 58804 C C25 . LMG KH 33 . ? -18.708 35.566 30.014 1.00 79.64 ? 520 LMG c C25 1 +HETATM 58805 O O8 . LMG KH 33 . ? -26.312 49.308 24.393 1.00 153.86 ? 520 LMG c O8 1 +HETATM 58806 C C28 . LMG KH 33 . ? -25.583 48.915 25.586 1.00 147.91 ? 520 LMG c C28 1 +HETATM 58807 O O10 . LMG KH 33 . ? -24.653 49.620 25.941 1.00 144.33 ? 520 LMG c O10 1 +HETATM 58808 C C29 . LMG KH 33 . ? -25.978 47.669 26.352 1.00 136.50 ? 520 LMG c C29 1 +HETATM 58809 C C30 . LMG KH 33 . ? -24.754 46.938 26.901 1.00 123.61 ? 520 LMG c C30 1 +HETATM 58810 C C31 . LMG KH 33 . ? -24.267 47.515 28.224 1.00 121.61 ? 520 LMG c C31 1 +HETATM 58811 C C32 . LMG KH 33 . ? -23.356 46.532 28.956 1.00 129.50 ? 520 LMG c C32 1 +HETATM 58812 C C33 . LMG KH 33 . ? -24.088 45.226 29.253 1.00 129.50 ? 520 LMG c C33 1 +HETATM 58813 C C34 . LMG KH 33 . ? -23.443 44.457 30.403 1.00 123.82 ? 520 LMG c C34 1 +HETATM 58814 C C35 . LMG KH 33 . ? -23.756 42.968 30.290 1.00 135.79 ? 520 LMG c C35 1 +HETATM 58815 C C36 . LMG KH 33 . ? -23.014 42.137 31.338 1.00 139.74 ? 520 LMG c C36 1 +HETATM 58816 C C37 . LMG KH 33 . ? -22.999 40.659 30.945 1.00 137.99 ? 520 LMG c C37 1 +HETATM 58817 C C38 . LMG KH 33 . ? -22.349 39.774 32.007 1.00 125.74 ? 520 LMG c C38 1 +HETATM 58818 C C39 . LMG KH 33 . ? -22.290 38.337 31.495 1.00 125.52 ? 520 LMG c C39 1 +HETATM 58819 C C40 . LMG KH 33 . ? -21.858 37.345 32.569 1.00 122.53 ? 520 LMG c C40 1 +HETATM 58820 C C41 . LMG KH 33 . ? -22.876 37.303 33.704 1.00 139.71 ? 520 LMG c C41 1 +HETATM 58821 C C42 . LMG KH 33 . ? -22.822 35.962 34.431 1.00 146.85 ? 520 LMG c C42 1 +HETATM 58822 C C43 . LMG KH 33 . ? -23.837 35.901 35.553 1.00 145.31 ? 520 LMG c C43 1 +HETATM 58823 C C1 . HTG LH 34 . ? -30.883 45.434 20.410 1.00 141.13 ? 521 HTG c C1 1 +HETATM 58824 S S1 . HTG LH 34 . ? -29.875 44.215 21.215 1.00 138.46 ? 521 HTG c S1 1 +HETATM 58825 C C2 . HTG LH 34 . ? -30.250 45.829 19.068 1.00 136.75 ? 521 HTG c C2 1 +HETATM 58826 O O2 . HTG LH 34 . ? -29.027 46.546 19.308 1.00 133.79 ? 521 HTG c O2 1 +HETATM 58827 C C3 . HTG LH 34 . ? -31.169 46.716 18.232 1.00 151.02 ? 521 HTG c C3 1 +HETATM 58828 O O3 . HTG LH 34 . ? -30.624 46.892 16.914 1.00 105.76 ? 521 HTG c O3 1 +HETATM 58829 C C4 . HTG LH 34 . ? -32.563 46.107 18.144 1.00 140.46 ? 521 HTG c C4 1 +HETATM 58830 O O4 . HTG LH 34 . ? -33.437 47.003 17.438 1.00 135.77 ? 521 HTG c O4 1 +HETATM 58831 C C5 . HTG LH 34 . ? -33.106 45.834 19.544 1.00 114.87 ? 521 HTG c C5 1 +HETATM 58832 O O5 . HTG LH 34 . ? -32.232 44.958 20.265 1.00 122.79 ? 521 HTG c O5 1 +HETATM 58833 C C6 . HTG LH 34 . ? -34.486 45.194 19.455 1.00 122.76 ? 521 HTG c C6 1 +HETATM 58834 O O6 . HTG LH 34 . ? -35.089 45.168 20.756 1.00 123.51 ? 521 HTG c O6 1 +HETATM 58835 C "C1'" . HTG LH 34 . ? -30.117 44.211 22.968 1.00 116.44 ? 521 HTG c "C1'" 1 +HETATM 58836 C "C2'" . HTG LH 34 . ? -28.771 43.918 23.631 1.00 123.04 ? 521 HTG c "C2'" 1 +HETATM 58837 C "C3'" . HTG LH 34 . ? -28.891 43.455 25.080 1.00 125.81 ? 521 HTG c "C3'" 1 +HETATM 58838 C "C4'" . HTG LH 34 . ? -27.560 42.888 25.580 1.00 132.58 ? 521 HTG c "C4'" 1 +HETATM 58839 C "C5'" . HTG LH 34 . ? -27.574 42.589 27.079 1.00 132.03 ? 521 HTG c "C5'" 1 +HETATM 58840 C "C6'" . HTG LH 34 . ? -26.338 41.813 27.535 1.00 132.61 ? 521 HTG c "C6'" 1 +HETATM 58841 C "C7'" . HTG LH 34 . ? -26.596 40.319 27.596 1.00 111.22 ? 521 HTG c "C7'" 1 +HETATM 58842 CA CA . CA MH 36 . ? -28.125 11.435 36.935 1.00 73.64 ? 522 CA c CA 1 +HETATM 58843 CA CA . CA NH 36 . ? 6.252 14.942 47.413 1.00 77.30 ? 523 CA c CA 1 +HETATM 58844 C C10 A UNL OH 30 . ? 13.928 20.219 31.849 0.40 99.11 ? 524 UNL c C10 1 +HETATM 58845 C C11 A UNL OH 30 . ? 13.788 20.241 30.330 0.40 103.32 ? 524 UNL c C11 1 +HETATM 58846 C C12 A UNL OH 30 . ? 12.849 21.347 29.863 0.40 99.06 ? 524 UNL c C12 1 +HETATM 58847 C C13 A UNL OH 30 . ? 12.875 21.501 28.345 0.40 107.24 ? 524 UNL c C13 1 +HETATM 58848 C C14 A UNL OH 30 . ? 11.821 22.505 27.889 0.40 107.00 ? 524 UNL c C14 1 +HETATM 58849 C C15 A UNL OH 30 . ? 12.123 23.058 26.498 0.40 109.43 ? 524 UNL c C15 1 +HETATM 58850 C C16 A UNL OH 30 . ? 10.993 23.959 26.004 0.40 113.95 ? 524 UNL c C16 1 +HETATM 58851 C C17 A UNL OH 30 . ? 11.501 25.064 25.075 0.40 122.74 ? 524 UNL c C17 1 +HETATM 58852 C C18 A UNL OH 30 . ? 11.546 24.640 23.610 0.40 120.09 ? 524 UNL c C18 1 +HETATM 58853 C C19 A UNL OH 30 . ? 12.012 25.786 22.718 0.40 112.41 ? 524 UNL c C19 1 +HETATM 58854 C C23 A UNL OH 30 . ? 14.373 15.681 30.500 0.40 120.68 ? 524 UNL c C23 1 +HETATM 58855 C C24 A UNL OH 30 . ? 13.128 16.304 29.889 0.40 109.71 ? 524 UNL c C24 1 +HETATM 58856 C C25 A UNL OH 30 . ? 12.962 15.913 28.419 0.40 98.69 ? 524 UNL c C25 1 +HETATM 58857 C C26 A UNL OH 30 . ? 13.852 16.726 27.478 0.40 106.96 ? 524 UNL c C26 1 +HETATM 58858 C C27 A UNL OH 30 . ? 13.156 17.971 26.934 0.40 112.10 ? 524 UNL c C27 1 +HETATM 58859 C C28 A UNL OH 30 . ? 12.520 17.734 25.567 0.40 103.27 ? 524 UNL c C28 1 +HETATM 58860 C C29 A UNL OH 30 . ? 12.216 19.068 24.888 0.40 117.06 ? 524 UNL c C29 1 +HETATM 58861 C C30 A UNL OH 30 . ? 11.670 18.904 23.472 0.40 122.74 ? 524 UNL c C30 1 +HETATM 58862 C C31 A UNL OH 30 . ? 11.324 20.266 22.872 0.40 123.01 ? 524 UNL c C31 1 +HETATM 58863 C C32 A UNL OH 30 . ? 10.774 20.140 21.454 0.40 126.99 ? 524 UNL c C32 1 +HETATM 58864 C C33 A UNL OH 30 . ? 10.366 21.502 20.900 0.40 126.58 ? 524 UNL c C33 1 +HETATM 58865 C C4 A UNL OH 30 . ? 12.623 14.827 35.071 0.40 119.80 ? 524 UNL c C4 1 +HETATM 58866 C C5 A UNL OH 30 . ? 13.606 15.484 34.100 0.40 118.38 ? 524 UNL c C5 1 +HETATM 58867 C C6 A UNL OH 30 . ? 13.197 15.131 32.676 0.40 101.54 ? 524 UNL c C6 1 +HETATM 58868 C C7 A UNL OH 30 . ? 14.803 17.603 34.409 0.40 127.29 ? 524 UNL c C7 1 +HETATM 58869 C C8 A UNL OH 30 . ? 14.987 18.959 33.767 0.40 110.02 ? 524 UNL c C8 1 +HETATM 58870 C C9 A UNL OH 30 . ? 14.494 18.882 32.324 0.40 111.16 ? 524 UNL c C9 1 +HETATM 58871 O O10 A UNL OH 30 . ? 15.419 15.611 29.865 0.40 123.70 ? 524 UNL c O10 1 +HETATM 58872 O O6 A UNL OH 30 . ? 13.083 14.937 36.417 0.40 122.65 ? 524 UNL c O6 1 +HETATM 58873 O O7 A UNL OH 30 . ? 13.535 16.907 34.204 0.40 133.02 ? 524 UNL c O7 1 +HETATM 58874 O O8 A UNL OH 30 . ? 14.373 15.173 31.870 0.40 113.48 ? 524 UNL c O8 1 +HETATM 58875 O O9 A UNL OH 30 . ? 15.687 17.107 35.094 0.40 139.02 ? 524 UNL c O9 1 +HETATM 58876 C C10 B UNL OH 30 . ? 13.988 20.221 31.825 0.60 99.02 ? 524 UNL c C10 1 +HETATM 58877 C C11 B UNL OH 30 . ? 13.778 20.211 30.315 0.60 103.35 ? 524 UNL c C11 1 +HETATM 58878 C C12 B UNL OH 30 . ? 12.853 21.336 29.868 0.60 99.02 ? 524 UNL c C12 1 +HETATM 58879 C C13 B UNL OH 30 . ? 12.868 21.481 28.350 0.60 107.26 ? 524 UNL c C13 1 +HETATM 58880 C C14 B UNL OH 30 . ? 11.812 22.478 27.887 0.60 106.97 ? 524 UNL c C14 1 +HETATM 58881 C C15 B UNL OH 30 . ? 12.081 22.971 26.467 0.60 109.38 ? 524 UNL c C15 1 +HETATM 58882 C C16 B UNL OH 30 . ? 10.969 23.908 26.004 0.60 113.91 ? 524 UNL c C16 1 +HETATM 58883 C C17 B UNL OH 30 . ? 11.495 25.028 25.108 0.60 122.84 ? 524 UNL c C17 1 +HETATM 58884 C C18 B UNL OH 30 . ? 11.555 24.619 23.640 0.60 120.14 ? 524 UNL c C18 1 +HETATM 58885 C C19 B UNL OH 30 . ? 11.973 25.793 22.763 0.60 112.37 ? 524 UNL c C19 1 +HETATM 58886 C C23 B UNL OH 30 . ? 14.429 15.668 30.523 0.60 120.99 ? 524 UNL c C23 1 +HETATM 58887 C C24 B UNL OH 30 . ? 13.206 16.307 29.890 0.60 109.95 ? 524 UNL c C24 1 +HETATM 58888 C C25 B UNL OH 30 . ? 13.055 15.880 28.429 0.60 98.62 ? 524 UNL c C25 1 +HETATM 58889 C C26 B UNL OH 30 . ? 13.933 16.694 27.478 0.60 106.88 ? 524 UNL c C26 1 +HETATM 58890 C C27 B UNL OH 30 . ? 13.239 17.956 26.968 0.60 112.21 ? 524 UNL c C27 1 +HETATM 58891 C C28 B UNL OH 30 . ? 12.546 17.728 25.627 0.60 103.15 ? 524 UNL c C28 1 +HETATM 58892 C C29 B UNL OH 30 . ? 12.203 19.057 24.961 0.60 117.12 ? 524 UNL c C29 1 +HETATM 58893 C C30 B UNL OH 30 . ? 11.651 18.873 23.549 0.60 122.85 ? 524 UNL c C30 1 +HETATM 58894 C C31 B UNL OH 30 . ? 11.348 20.224 22.903 0.60 123.07 ? 524 UNL c C31 1 +HETATM 58895 C C32 B UNL OH 30 . ? 10.847 20.061 21.471 0.60 127.07 ? 524 UNL c C32 1 +HETATM 58896 C C33 B UNL OH 30 . ? 10.416 21.399 20.880 0.60 126.67 ? 524 UNL c C33 1 +HETATM 58897 C C4 B UNL OH 30 . ? 12.608 14.826 35.070 0.60 119.94 ? 524 UNL c C4 1 +HETATM 58898 C C5 B UNL OH 30 . ? 13.598 15.510 34.128 0.60 118.53 ? 524 UNL c C5 1 +HETATM 58899 C C6 B UNL OH 30 . ? 13.223 15.173 32.691 0.60 101.46 ? 524 UNL c C6 1 +HETATM 58900 C C7 B UNL OH 30 . ? 14.785 17.614 34.426 0.60 127.44 ? 524 UNL c C7 1 +HETATM 58901 C C8 B UNL OH 30 . ? 14.983 18.956 33.761 0.60 109.92 ? 524 UNL c C8 1 +HETATM 58902 C C9 B UNL OH 30 . ? 14.510 18.871 32.313 0.60 111.17 ? 524 UNL c C9 1 +HETATM 58903 O O10 B UNL OH 30 . ? 15.469 15.543 29.889 0.60 123.90 ? 524 UNL c O10 1 +HETATM 58904 O O6 B UNL OH 30 . ? 13.045 14.928 36.426 0.60 122.74 ? 524 UNL c O6 1 +HETATM 58905 O O7 B UNL OH 30 . ? 13.507 16.930 34.261 0.60 133.54 ? 524 UNL c O7 1 +HETATM 58906 O O8 B UNL OH 30 . ? 14.416 15.210 31.910 0.60 113.58 ? 524 UNL c O8 1 +HETATM 58907 O O9 B UNL OH 30 . ? 15.671 17.115 35.104 0.60 139.27 ? 524 UNL c O9 1 +HETATM 58908 C C1 A GOL PH 27 . ? -5.055 35.362 -8.431 0.40 76.46 ? 525 GOL c C1 1 +HETATM 58909 C C1 B GOL PH 27 . ? -5.009 35.456 -8.592 0.60 76.86 ? 525 GOL c C1 1 +HETATM 58910 O O1 A GOL PH 27 . ? -3.781 35.915 -8.694 0.40 69.23 ? 525 GOL c O1 1 +HETATM 58911 O O1 B GOL PH 27 . ? -3.682 35.940 -8.655 0.60 69.19 ? 525 GOL c O1 1 +HETATM 58912 C C2 A GOL PH 27 . ? -5.911 36.474 -7.739 0.40 77.27 ? 525 GOL c C2 1 +HETATM 58913 C C2 B GOL PH 27 . ? -5.836 36.467 -7.743 0.60 77.48 ? 525 GOL c C2 1 +HETATM 58914 O O2 A GOL PH 27 . ? -5.986 37.636 -8.508 0.40 77.70 ? 525 GOL c O2 1 +HETATM 58915 O O2 B GOL PH 27 . ? -5.886 37.703 -8.346 0.60 78.67 ? 525 GOL c O2 1 +HETATM 58916 C C3 A GOL PH 27 . ? -7.313 35.831 -7.485 0.40 65.86 ? 525 GOL c C3 1 +HETATM 58917 C C3 B GOL PH 27 . ? -7.251 35.847 -7.607 0.60 65.88 ? 525 GOL c C3 1 +HETATM 58918 O O3 A GOL PH 27 . ? -8.038 36.754 -6.689 0.40 72.18 ? 525 GOL c O3 1 +HETATM 58919 O O3 B GOL PH 27 . ? -7.902 36.577 -6.602 0.60 73.21 ? 525 GOL c O3 1 +HETATM 58920 C C1 . GOL QH 27 . ? -4.401 45.808 -0.096 1.00 104.77 ? 526 GOL c C1 1 +HETATM 58921 O O1 . GOL QH 27 . ? -4.200 46.610 1.078 1.00 127.04 ? 526 GOL c O1 1 +HETATM 58922 C C2 . GOL QH 27 . ? -5.905 45.409 -0.087 1.00 120.29 ? 526 GOL c C2 1 +HETATM 58923 O O2 . GOL QH 27 . ? -6.709 46.403 0.502 1.00 111.54 ? 526 GOL c O2 1 +HETATM 58924 C C3 . GOL QH 27 . ? -6.291 45.096 -1.593 1.00 102.11 ? 526 GOL c C3 1 +HETATM 58925 O O3 . GOL QH 27 . ? -7.061 43.888 -1.560 1.00 115.94 ? 526 GOL c O3 1 +HETATM 58926 C C A BCT RH 37 . ? 16.739 -2.767 20.906 0.40 69.15 ? 401 BCT d C 1 +HETATM 58927 C C B BCT RH 37 . ? 16.721 -2.968 21.071 0.60 69.54 ? 401 BCT d C 1 +HETATM 58928 O O1 A BCT RH 37 . ? 15.657 -3.028 20.312 0.40 61.13 ? 401 BCT d O1 1 +HETATM 58929 O O1 B BCT RH 37 . ? 15.739 -3.180 20.325 0.60 60.95 ? 401 BCT d O1 1 +HETATM 58930 O O2 A BCT RH 37 . ? 17.450 -1.742 20.693 0.40 59.91 ? 401 BCT d O2 1 +HETATM 58931 O O2 B BCT RH 37 . ? 17.434 -1.932 21.003 0.60 61.60 ? 401 BCT d O2 1 +HETATM 58932 O O3 A BCT RH 37 . ? 17.035 -3.501 21.964 0.40 78.17 ? 401 BCT d O3 1 +HETATM 58933 O O3 B BCT RH 37 . ? 17.018 -3.900 21.965 0.60 80.94 ? 401 BCT d O3 1 +HETATM 58934 MG MG A CLA SH 23 . ? 4.424 6.867 -3.683 0.40 43.77 ? 402 CLA d MG 1 +HETATM 58935 MG MG B CLA SH 23 . ? 4.467 6.821 -3.595 0.60 44.38 ? 402 CLA d MG 1 +HETATM 58936 C CHA A CLA SH 23 . ? 7.459 5.803 -4.917 0.40 40.80 ? 402 CLA d CHA 1 +HETATM 58937 C CHA B CLA SH 23 . ? 7.486 5.767 -4.890 0.60 40.59 ? 402 CLA d CHA 1 +HETATM 58938 C CHB A CLA SH 23 . ? 3.601 3.601 -3.179 0.40 42.25 ? 402 CLA d CHB 1 +HETATM 58939 C CHB B CLA SH 23 . ? 3.613 3.565 -3.162 0.60 42.16 ? 402 CLA d CHB 1 +HETATM 58940 C CHC A CLA SH 23 . ? 1.849 7.942 -1.731 0.40 46.08 ? 402 CLA d CHC 1 +HETATM 58941 C CHC B CLA SH 23 . ? 1.892 7.874 -1.663 0.60 46.01 ? 402 CLA d CHC 1 +HETATM 58942 C CHD A CLA SH 23 . ? 5.682 10.326 -3.830 0.40 46.75 ? 402 CLA d CHD 1 +HETATM 58943 C CHD B CLA SH 23 . ? 5.708 10.296 -3.765 0.60 46.83 ? 402 CLA d CHD 1 +HETATM 58944 N NA A CLA SH 23 . ? 5.368 5.037 -3.930 0.40 43.44 ? 402 CLA d NA 1 +HETATM 58945 N NA B CLA SH 23 . ? 5.387 4.996 -3.912 0.60 43.45 ? 402 CLA d NA 1 +HETATM 58946 C C1A A CLA SH 23 . ? 6.494 4.756 -4.472 0.40 46.04 ? 402 CLA d C1A 1 +HETATM 58947 C C1A B CLA SH 23 . ? 6.520 4.723 -4.445 0.60 46.12 ? 402 CLA d C1A 1 +HETATM 58948 C C2A A CLA SH 23 . ? 6.848 3.303 -4.641 0.40 47.89 ? 402 CLA d C2A 1 +HETATM 58949 C C2A B CLA SH 23 . ? 6.869 3.267 -4.612 0.60 48.09 ? 402 CLA d C2A 1 +HETATM 58950 C C3A A CLA SH 23 . ? 5.574 2.644 -4.201 0.40 50.03 ? 402 CLA d C3A 1 +HETATM 58951 C C3A B CLA SH 23 . ? 5.592 2.606 -4.158 0.60 50.16 ? 402 CLA d C3A 1 +HETATM 58952 C C4A A CLA SH 23 . ? 4.789 3.843 -3.741 0.40 46.07 ? 402 CLA d C4A 1 +HETATM 58953 C C4A B CLA SH 23 . ? 4.801 3.808 -3.720 0.60 46.18 ? 402 CLA d C4A 1 +HETATM 58954 C CMA A CLA SH 23 . ? 4.972 2.185 -5.533 0.40 46.73 ? 402 CLA d CMA 1 +HETATM 58955 C CMA B CLA SH 23 . ? 4.942 2.086 -5.442 0.60 47.09 ? 402 CLA d CMA 1 +HETATM 58956 C CAA A CLA SH 23 . ? 7.847 2.880 -3.510 0.40 41.44 ? 402 CLA d CAA 1 +HETATM 58957 C CAA B CLA SH 23 . ? 7.881 2.893 -3.483 0.60 41.15 ? 402 CLA d CAA 1 +HETATM 58958 C CBA A CLA SH 23 . ? 7.510 3.573 -2.174 0.40 47.01 ? 402 CLA d CBA 1 +HETATM 58959 C CBA B CLA SH 23 . ? 7.411 3.420 -2.110 0.60 46.71 ? 402 CLA d CBA 1 +HETATM 58960 C CGA A CLA SH 23 . ? 8.139 3.047 -0.889 0.40 50.20 ? 402 CLA d CGA 1 +HETATM 58961 C CGA B CLA SH 23 . ? 8.173 3.035 -0.852 0.60 50.13 ? 402 CLA d CGA 1 +HETATM 58962 O O1A A CLA SH 23 . ? 8.953 2.146 -0.887 0.40 57.79 ? 402 CLA d O1A 1 +HETATM 58963 O O1A B CLA SH 23 . ? 9.121 2.284 -0.873 0.60 58.74 ? 402 CLA d O1A 1 +HETATM 58964 O O2A A CLA SH 23 . ? 7.757 3.611 0.389 0.40 53.15 ? 402 CLA d O2A 1 +HETATM 58965 O O2A B CLA SH 23 . ? 7.779 3.568 0.436 0.60 53.52 ? 402 CLA d O2A 1 +HETATM 58966 N NB A CLA SH 23 . ? 2.964 5.904 -2.611 0.40 44.46 ? 402 CLA d NB 1 +HETATM 58967 N NB B CLA SH 23 . ? 2.987 5.849 -2.553 0.60 44.20 ? 402 CLA d NB 1 +HETATM 58968 C C1B A CLA SH 23 . ? 2.683 4.602 -2.623 0.40 43.31 ? 402 CLA d C1B 1 +HETATM 58969 C C1B B CLA SH 23 . ? 2.686 4.553 -2.597 0.60 43.28 ? 402 CLA d C1B 1 +HETATM 58970 C C2B A CLA SH 23 . ? 1.429 4.228 -1.906 0.40 45.03 ? 402 CLA d C2B 1 +HETATM 58971 C C2B B CLA SH 23 . ? 1.414 4.175 -1.908 0.60 45.05 ? 402 CLA d C2B 1 +HETATM 58972 C C3B A CLA SH 23 . ? 0.916 5.533 -1.469 0.40 48.67 ? 402 CLA d C3B 1 +HETATM 58973 C C3B B CLA SH 23 . ? 0.912 5.481 -1.448 0.60 48.78 ? 402 CLA d C3B 1 +HETATM 58974 C C4B A CLA SH 23 . ? 1.949 6.495 -1.953 0.40 44.55 ? 402 CLA d C4B 1 +HETATM 58975 C C4B B CLA SH 23 . ? 1.970 6.433 -1.900 0.60 44.44 ? 402 CLA d C4B 1 +HETATM 58976 C CMB A CLA SH 23 . ? 0.784 2.895 -1.677 0.40 46.74 ? 402 CLA d CMB 1 +HETATM 58977 C CMB B CLA SH 23 . ? 0.753 2.844 -1.709 0.60 46.78 ? 402 CLA d CMB 1 +HETATM 58978 C CAB A CLA SH 23 . ? -0.344 5.759 -0.711 0.40 46.68 ? 402 CLA d CAB 1 +HETATM 58979 C CAB B CLA SH 23 . ? -0.350 5.733 -0.698 0.60 46.63 ? 402 CLA d CAB 1 +HETATM 58980 C CBB A CLA SH 23 . ? -0.987 6.904 -0.766 0.40 57.76 ? 402 CLA d CBB 1 +HETATM 58981 C CBB B CLA SH 23 . ? -0.900 6.925 -0.609 0.60 58.17 ? 402 CLA d CBB 1 +HETATM 58982 N NC A CLA SH 23 . ? 3.932 8.718 -2.911 0.40 47.38 ? 402 CLA d NC 1 +HETATM 58983 N NC B CLA SH 23 . ? 3.969 8.669 -2.827 0.60 47.43 ? 402 CLA d NC 1 +HETATM 58984 C C1C A CLA SH 23 . ? 2.793 8.955 -2.225 0.40 44.83 ? 402 CLA d C1C 1 +HETATM 58985 C C1C B CLA SH 23 . ? 2.825 8.893 -2.165 0.60 44.91 ? 402 CLA d C1C 1 +HETATM 58986 C C2C A CLA SH 23 . ? 2.498 10.384 -1.965 0.40 44.22 ? 402 CLA d C2C 1 +HETATM 58987 C C2C B CLA SH 23 . ? 2.499 10.316 -1.920 0.60 44.10 ? 402 CLA d C2C 1 +HETATM 58988 C C3C A CLA SH 23 . ? 3.648 11.061 -2.597 0.40 45.16 ? 402 CLA d C3C 1 +HETATM 58989 C C3C B CLA SH 23 . ? 3.645 11.015 -2.552 0.60 45.15 ? 402 CLA d C3C 1 +HETATM 58990 C C4C A CLA SH 23 . ? 4.448 9.947 -3.126 0.40 43.67 ? 402 CLA d C4C 1 +HETATM 58991 C C4C B CLA SH 23 . ? 4.468 9.904 -3.061 0.60 43.56 ? 402 CLA d C4C 1 +HETATM 58992 C CMC A CLA SH 23 . ? 1.320 10.965 -1.213 0.40 47.02 ? 402 CLA d CMC 1 +HETATM 58993 C CMC B CLA SH 23 . ? 1.298 10.873 -1.191 0.60 47.00 ? 402 CLA d CMC 1 +HETATM 58994 C CAC A CLA SH 23 . ? 3.986 12.529 -2.727 0.40 48.23 ? 402 CLA d CAC 1 +HETATM 58995 C CAC B CLA SH 23 . ? 3.968 12.475 -2.698 0.60 48.34 ? 402 CLA d CAC 1 +HETATM 58996 C CBC A CLA SH 23 . ? 2.845 13.108 -3.552 0.40 45.86 ? 402 CLA d CBC 1 +HETATM 58997 C CBC B CLA SH 23 . ? 2.840 13.072 -3.518 0.60 45.91 ? 402 CLA d CBC 1 +HETATM 58998 N ND A CLA SH 23 . ? 6.114 7.888 -4.144 0.40 44.39 ? 402 CLA d ND 1 +HETATM 58999 N ND B CLA SH 23 . ? 6.140 7.854 -4.099 0.60 44.32 ? 402 CLA d ND 1 +HETATM 59000 C C1D A CLA SH 23 . ? 6.531 9.252 -4.317 0.40 46.03 ? 402 CLA d C1D 1 +HETATM 59001 C C1D B CLA SH 23 . ? 6.556 9.219 -4.273 0.60 46.11 ? 402 CLA d C1D 1 +HETATM 59002 C C2D A CLA SH 23 . ? 7.824 9.462 -5.004 0.40 48.33 ? 402 CLA d C2D 1 +HETATM 59003 C C2D B CLA SH 23 . ? 7.844 9.422 -4.977 0.60 48.56 ? 402 CLA d C2D 1 +HETATM 59004 C C3D A CLA SH 23 . ? 8.194 8.025 -5.263 0.40 42.66 ? 402 CLA d C3D 1 +HETATM 59005 C C3D B CLA SH 23 . ? 8.210 7.986 -5.233 0.60 42.55 ? 402 CLA d C3D 1 +HETATM 59006 C C4D A CLA SH 23 . ? 7.182 7.231 -4.723 0.40 43.69 ? 402 CLA d C4D 1 +HETATM 59007 C C4D B CLA SH 23 . ? 7.202 7.198 -4.691 0.60 43.65 ? 402 CLA d C4D 1 +HETATM 59008 C CMD A CLA SH 23 . ? 8.622 10.682 -5.372 0.40 41.46 ? 402 CLA d CMD 1 +HETATM 59009 C CMD B CLA SH 23 . ? 8.662 10.623 -5.374 0.60 41.47 ? 402 CLA d CMD 1 +HETATM 59010 C CAD A CLA SH 23 . ? 9.202 7.094 -5.833 0.40 43.85 ? 402 CLA d CAD 1 +HETATM 59011 C CAD B CLA SH 23 . ? 9.219 7.062 -5.817 0.60 43.86 ? 402 CLA d CAD 1 +HETATM 59012 O OBD A CLA SH 23 . ? 10.287 7.469 -6.411 0.40 44.30 ? 402 CLA d OBD 1 +HETATM 59013 O OBD B CLA SH 23 . ? 10.292 7.452 -6.407 0.60 44.33 ? 402 CLA d OBD 1 +HETATM 59014 C CBD A CLA SH 23 . ? 8.753 5.673 -5.639 0.40 46.10 ? 402 CLA d CBD 1 +HETATM 59015 C CBD B CLA SH 23 . ? 8.773 5.639 -5.633 0.60 46.09 ? 402 CLA d CBD 1 +HETATM 59016 C CGD A CLA SH 23 . ? 8.504 5.031 -6.983 0.40 51.66 ? 402 CLA d CGD 1 +HETATM 59017 C CGD B CLA SH 23 . ? 8.502 5.021 -6.988 0.60 51.90 ? 402 CLA d CGD 1 +HETATM 59018 O O1D A CLA SH 23 . ? 7.848 5.578 -7.860 0.40 46.29 ? 402 CLA d O1D 1 +HETATM 59019 O O1D B CLA SH 23 . ? 7.797 5.574 -7.821 0.60 46.33 ? 402 CLA d O1D 1 +HETATM 59020 O O2D A CLA SH 23 . ? 9.044 3.712 -7.244 0.40 47.94 ? 402 CLA d O2D 1 +HETATM 59021 O O2D B CLA SH 23 . ? 9.069 3.723 -7.329 0.60 47.92 ? 402 CLA d O2D 1 +HETATM 59022 C CED A CLA SH 23 . ? 8.555 2.976 -8.364 0.40 45.27 ? 402 CLA d CED 1 +HETATM 59023 C CED B CLA SH 23 . ? 8.633 3.026 -8.490 0.60 45.31 ? 402 CLA d CED 1 +HETATM 59024 C C1 A CLA SH 23 . ? 8.187 3.043 1.653 0.40 50.87 ? 402 CLA d C1 1 +HETATM 59025 C C1 B CLA SH 23 . ? 8.214 2.959 1.668 0.60 50.87 ? 402 CLA d C1 1 +HETATM 59026 C C2 A CLA SH 23 . ? 7.262 1.916 2.052 0.40 53.14 ? 402 CLA d C2 1 +HETATM 59027 C C2 B CLA SH 23 . ? 7.261 1.843 2.038 0.60 53.34 ? 402 CLA d C2 1 +HETATM 59028 C C3 A CLA SH 23 . ? 7.630 0.613 2.077 0.40 47.58 ? 402 CLA d C3 1 +HETATM 59029 C C3 B CLA SH 23 . ? 7.627 0.541 2.020 0.60 47.51 ? 402 CLA d C3 1 +HETATM 59030 C C4 A CLA SH 23 . ? 9.017 0.159 1.702 0.40 47.29 ? 402 CLA d C4 1 +HETATM 59031 C C4 B CLA SH 23 . ? 9.019 0.133 1.629 0.60 47.25 ? 402 CLA d C4 1 +HETATM 59032 C C5 A CLA SH 23 . ? 6.627 -0.446 2.483 0.40 46.82 ? 402 CLA d C5 1 +HETATM 59033 C C5 B CLA SH 23 . ? 6.628 -0.529 2.390 0.60 46.82 ? 402 CLA d C5 1 +HETATM 59034 C C6 A CLA SH 23 . ? 6.060 -1.242 1.302 0.40 54.22 ? 402 CLA d C6 1 +HETATM 59035 C C6 B CLA SH 23 . ? 6.106 -1.310 1.184 0.60 54.15 ? 402 CLA d C6 1 +HETATM 59036 C C7 A CLA SH 23 . ? 5.333 -0.343 0.306 0.40 52.64 ? 402 CLA d C7 1 +HETATM 59037 C C7 B CLA SH 23 . ? 5.288 -0.434 0.242 0.60 52.59 ? 402 CLA d C7 1 +HETATM 59038 C C8 A CLA SH 23 . ? 5.014 -1.014 -1.028 0.40 56.34 ? 402 CLA d C8 1 +HETATM 59039 C C8 B CLA SH 23 . ? 4.983 -1.123 -1.087 0.60 56.56 ? 402 CLA d C8 1 +HETATM 59040 C C9 A CLA SH 23 . ? 6.228 -0.981 -1.963 0.40 49.20 ? 402 CLA d C9 1 +HETATM 59041 C C9 B CLA SH 23 . ? 6.214 -1.159 -1.993 0.60 48.66 ? 402 CLA d C9 1 +HETATM 59042 C C10 A CLA SH 23 . ? 3.808 -0.320 -1.676 0.40 44.22 ? 402 CLA d C10 1 +HETATM 59043 C C10 B CLA SH 23 . ? 3.814 -0.410 -1.767 0.60 44.26 ? 402 CLA d C10 1 +HETATM 59044 C C11 A CLA SH 23 . ? 3.179 -1.168 -2.800 0.40 48.55 ? 402 CLA d C11 1 +HETATM 59045 C C11 B CLA SH 23 . ? 3.164 -1.258 -2.863 0.60 48.30 ? 402 CLA d C11 1 +HETATM 59046 C C12 A CLA SH 23 . ? 1.927 -0.516 -3.405 0.40 49.02 ? 402 CLA d C12 1 +HETATM 59047 C C12 B CLA SH 23 . ? 1.935 -0.551 -3.442 0.60 49.01 ? 402 CLA d C12 1 +HETATM 59048 C C13 A CLA SH 23 . ? 1.317 -1.345 -4.548 0.40 52.55 ? 402 CLA d C13 1 +HETATM 59049 C C13 B CLA SH 23 . ? 1.284 -1.304 -4.603 0.60 52.43 ? 402 CLA d C13 1 +HETATM 59050 C C14 A CLA SH 23 . ? 0.599 -0.450 -5.545 0.40 53.17 ? 402 CLA d C14 1 +HETATM 59051 C C14 B CLA SH 23 . ? 0.583 -0.335 -5.541 0.60 53.22 ? 402 CLA d C14 1 +HETATM 59052 C C15 A CLA SH 23 . ? 0.327 -2.366 -4.002 0.40 56.56 ? 402 CLA d C15 1 +HETATM 59053 C C15 B CLA SH 23 . ? 0.277 -2.324 -4.082 0.60 56.38 ? 402 CLA d C15 1 +HETATM 59054 C C16 A CLA SH 23 . ? -0.065 -3.422 -5.029 0.40 64.87 ? 402 CLA d C16 1 +HETATM 59055 C C16 B CLA SH 23 . ? 0.067 -3.487 -5.048 0.60 64.91 ? 402 CLA d C16 1 +HETATM 59056 C C17 A CLA SH 23 . ? -0.501 -4.712 -4.335 0.40 70.70 ? 402 CLA d C17 1 +HETATM 59057 C C17 B CLA SH 23 . ? -0.407 -4.743 -4.316 0.60 70.84 ? 402 CLA d C17 1 +HETATM 59058 C C18 A CLA SH 23 . ? -1.953 -4.617 -3.894 0.40 68.36 ? 402 CLA d C18 1 +HETATM 59059 C C18 B CLA SH 23 . ? -1.871 -4.640 -3.915 0.60 68.39 ? 402 CLA d C18 1 +HETATM 59060 C C19 A CLA SH 23 . ? -2.379 -5.896 -3.199 0.40 73.44 ? 402 CLA d C19 1 +HETATM 59061 C C19 B CLA SH 23 . ? -2.336 -5.926 -3.248 0.60 73.52 ? 402 CLA d C19 1 +HETATM 59062 C C20 A CLA SH 23 . ? -2.864 -4.350 -5.083 0.40 64.55 ? 402 CLA d C20 1 +HETATM 59063 C C20 B CLA SH 23 . ? -2.743 -4.321 -5.121 0.60 64.56 ? 402 CLA d C20 1 +HETATM 59064 MG MG A CLA TH 23 . ? 14.653 13.107 -4.304 0.40 44.62 ? 403 CLA d MG 1 +HETATM 59065 MG MG B CLA TH 23 . ? 14.700 13.104 -4.284 0.60 44.65 ? 403 CLA d MG 1 +HETATM 59066 C CHA A CLA TH 23 . ? 18.095 13.327 -3.951 0.40 44.91 ? 403 CLA d CHA 1 +HETATM 59067 C CHA B CLA TH 23 . ? 18.127 13.317 -3.934 0.60 44.85 ? 403 CLA d CHA 1 +HETATM 59068 C CHB A CLA TH 23 . ? 14.603 11.182 -1.486 0.40 42.51 ? 403 CLA d CHB 1 +HETATM 59069 C CHB B CLA TH 23 . ? 14.624 11.210 -1.466 0.60 42.40 ? 403 CLA d CHB 1 +HETATM 59070 C CHC A CLA TH 23 . ? 11.291 13.542 -4.252 0.40 38.05 ? 403 CLA d CHC 1 +HETATM 59071 C CHC B CLA TH 23 . ? 11.325 13.502 -4.289 0.60 37.87 ? 403 CLA d CHC 1 +HETATM 59072 C CHD A CLA TH 23 . ? 14.874 15.697 -6.882 0.40 45.09 ? 403 CLA d CHD 1 +HETATM 59073 C CHD B CLA TH 23 . ? 14.933 15.682 -6.896 0.60 45.17 ? 403 CLA d CHD 1 +HETATM 59074 N NA A CLA TH 23 . ? 16.066 12.433 -2.927 0.40 49.74 ? 403 CLA d NA 1 +HETATM 59075 N NA B CLA TH 23 . ? 16.104 12.430 -2.906 0.60 49.95 ? 403 CLA d NA 1 +HETATM 59076 C C1A A CLA TH 23 . ? 17.353 12.431 -3.023 0.40 46.42 ? 403 CLA d C1A 1 +HETATM 59077 C C1A B CLA TH 23 . ? 17.385 12.425 -2.997 0.60 46.45 ? 403 CLA d C1A 1 +HETATM 59078 C C2A A CLA TH 23 . ? 18.136 11.607 -2.043 0.40 50.82 ? 403 CLA d C2A 1 +HETATM 59079 C C2A B CLA TH 23 . ? 18.145 11.590 -2.018 0.60 50.93 ? 403 CLA d C2A 1 +HETATM 59080 C C3A A CLA TH 23 . ? 17.011 10.882 -1.324 0.40 53.08 ? 403 CLA d C3A 1 +HETATM 59081 C C3A B CLA TH 23 . ? 17.014 10.888 -1.289 0.60 53.24 ? 403 CLA d C3A 1 +HETATM 59082 C C4A A CLA TH 23 . ? 15.811 11.542 -1.951 0.40 48.39 ? 403 CLA d C4A 1 +HETATM 59083 C C4A B CLA TH 23 . ? 15.832 11.557 -1.924 0.60 48.47 ? 403 CLA d C4A 1 +HETATM 59084 C CMA A CLA TH 23 . ? 17.066 9.432 -1.795 0.40 44.50 ? 403 CLA d CMA 1 +HETATM 59085 C CMA B CLA TH 23 . ? 17.023 9.433 -1.742 0.60 44.51 ? 403 CLA d CMA 1 +HETATM 59086 C CAA A CLA TH 23 . ? 18.750 12.566 -0.995 0.40 47.47 ? 403 CLA d CAA 1 +HETATM 59087 C CAA B CLA TH 23 . ? 18.759 12.533 -0.975 0.60 47.48 ? 403 CLA d CAA 1 +HETATM 59088 C CBA A CLA TH 23 . ? 19.379 11.806 0.183 0.40 55.52 ? 403 CLA d CBA 1 +HETATM 59089 C CBA B CLA TH 23 . ? 19.439 11.769 0.161 0.60 55.61 ? 403 CLA d CBA 1 +HETATM 59090 C CGA A CLA TH 23 . ? 19.963 12.712 1.247 0.40 52.26 ? 403 CLA d CGA 1 +HETATM 59091 C CGA B CLA TH 23 . ? 19.969 12.694 1.238 0.60 52.19 ? 403 CLA d CGA 1 +HETATM 59092 O O1A A CLA TH 23 . ? 19.760 12.511 2.427 0.40 59.84 ? 403 CLA d O1A 1 +HETATM 59093 O O1A B CLA TH 23 . ? 19.691 12.518 2.410 0.60 60.15 ? 403 CLA d O1A 1 +HETATM 59094 O O2A A CLA TH 23 . ? 20.792 13.856 0.933 0.40 57.19 ? 403 CLA d O2A 1 +HETATM 59095 O O2A B CLA TH 23 . ? 20.835 13.811 0.920 0.60 57.36 ? 403 CLA d O2A 1 +HETATM 59096 N NB A CLA TH 23 . ? 13.185 12.470 -3.041 0.40 41.21 ? 403 CLA d NB 1 +HETATM 59097 N NB B CLA TH 23 . ? 13.214 12.452 -3.056 0.60 41.13 ? 403 CLA d NB 1 +HETATM 59098 C C1B A CLA TH 23 . ? 13.301 11.700 -1.968 0.40 42.98 ? 403 CLA d C1B 1 +HETATM 59099 C C1B B CLA TH 23 . ? 13.322 11.714 -1.957 0.60 42.96 ? 403 CLA d C1B 1 +HETATM 59100 C C2B A CLA TH 23 . ? 12.009 11.419 -1.280 0.40 41.49 ? 403 CLA d C2B 1 +HETATM 59101 C C2B B CLA TH 23 . ? 12.025 11.421 -1.277 0.60 41.46 ? 403 CLA d C2B 1 +HETATM 59102 C C3B A CLA TH 23 . ? 11.039 12.155 -2.117 0.40 40.17 ? 403 CLA d C3B 1 +HETATM 59103 C C3B B CLA TH 23 . ? 11.057 12.122 -2.147 0.60 39.96 ? 403 CLA d C3B 1 +HETATM 59104 C C4B A CLA TH 23 . ? 11.884 12.747 -3.172 0.40 45.62 ? 403 CLA d C4B 1 +HETATM 59105 C C4B B CLA TH 23 . ? 11.913 12.713 -3.198 0.60 45.79 ? 403 CLA d C4B 1 +HETATM 59106 C CMB A CLA TH 23 . ? 11.777 10.627 -0.026 0.40 47.56 ? 403 CLA d CMB 1 +HETATM 59107 C CMB B CLA TH 23 . ? 11.784 10.637 -0.021 0.60 47.66 ? 403 CLA d CMB 1 +HETATM 59108 C CAB A CLA TH 23 . ? 9.564 12.310 -2.017 0.40 45.09 ? 403 CLA d CAB 1 +HETATM 59109 C CAB B CLA TH 23 . ? 9.584 12.276 -2.067 0.60 45.15 ? 403 CLA d CAB 1 +HETATM 59110 C CBB A CLA TH 23 . ? 8.840 11.261 -1.658 0.40 48.48 ? 403 CLA d CBB 1 +HETATM 59111 C CBB B CLA TH 23 . ? 8.838 11.240 -1.734 0.60 48.59 ? 403 CLA d CBB 1 +HETATM 59112 N NC A CLA TH 23 . ? 13.380 14.408 -5.307 0.40 43.65 ? 403 CLA d NC 1 +HETATM 59113 N NC B CLA TH 23 . ? 13.435 14.385 -5.304 0.60 43.74 ? 403 CLA d NC 1 +HETATM 59114 C C1C A CLA TH 23 . ? 12.038 14.280 -5.273 0.40 44.73 ? 403 CLA d C1C 1 +HETATM 59115 C C1C B CLA TH 23 . ? 12.094 14.253 -5.281 0.60 44.86 ? 403 CLA d C1C 1 +HETATM 59116 C C2C A CLA TH 23 . ? 11.289 14.965 -6.358 0.40 42.53 ? 403 CLA d C2C 1 +HETATM 59117 C C2C B CLA TH 23 . ? 11.350 14.933 -6.375 0.60 42.53 ? 403 CLA d C2C 1 +HETATM 59118 C C3C A CLA TH 23 . ? 12.372 15.578 -7.148 0.40 44.14 ? 403 CLA d C3C 1 +HETATM 59119 C C3C B CLA TH 23 . ? 12.438 15.558 -7.148 0.60 44.24 ? 403 CLA d C3C 1 +HETATM 59120 C C4C A CLA TH 23 . ? 13.588 15.199 -6.375 0.40 42.17 ? 403 CLA d C4C 1 +HETATM 59121 C C4C B CLA TH 23 . ? 13.653 15.171 -6.378 0.60 42.06 ? 403 CLA d C4C 1 +HETATM 59122 C CMC A CLA TH 23 . ? 9.802 14.984 -6.606 0.40 47.10 ? 403 CLA d CMC 1 +HETATM 59123 C CMC B CLA TH 23 . ? 9.865 14.947 -6.610 0.60 47.25 ? 403 CLA d CMC 1 +HETATM 59124 C CAC A CLA TH 23 . ? 12.299 16.430 -8.397 0.40 44.78 ? 403 CLA d CAC 1 +HETATM 59125 C CAC B CLA TH 23 . ? 12.385 16.421 -8.386 0.60 44.69 ? 403 CLA d CAC 1 +HETATM 59126 C CBC A CLA TH 23 . ? 12.792 15.568 -9.549 0.40 45.92 ? 403 CLA d CBC 1 +HETATM 59127 C CBC B CLA TH 23 . ? 12.857 15.567 -9.538 0.60 45.96 ? 403 CLA d CBC 1 +HETATM 59128 N ND A CLA TH 23 . ? 16.037 14.289 -5.212 0.40 47.07 ? 403 CLA d ND 1 +HETATM 59129 N ND B CLA TH 23 . ? 16.081 14.275 -5.218 0.60 47.22 ? 403 CLA d ND 1 +HETATM 59130 C C1D A CLA TH 23 . ? 16.099 15.273 -6.225 0.40 44.42 ? 403 CLA d C1D 1 +HETATM 59131 C C1D B CLA TH 23 . ? 16.157 15.260 -6.244 0.60 44.49 ? 403 CLA d C1D 1 +HETATM 59132 C C2D A CLA TH 23 . ? 17.451 15.742 -6.588 0.40 46.31 ? 403 CLA d C2D 1 +HETATM 59133 C C2D B CLA TH 23 . ? 17.512 15.729 -6.595 0.60 46.32 ? 403 CLA d C2D 1 +HETATM 59134 C C3D A CLA TH 23 . ? 18.268 14.956 -5.631 0.40 43.27 ? 403 CLA d C3D 1 +HETATM 59135 C C3D B CLA TH 23 . ? 18.315 14.936 -5.633 0.60 43.12 ? 403 CLA d C3D 1 +HETATM 59136 C C4D A CLA TH 23 . ? 17.381 14.181 -4.902 0.40 48.60 ? 403 CLA d C4D 1 +HETATM 59137 C C4D B CLA TH 23 . ? 17.422 14.171 -4.901 0.60 48.73 ? 403 CLA d C4D 1 +HETATM 59138 C CMD A CLA TH 23 . ? 17.990 16.742 -7.558 0.40 47.83 ? 403 CLA d CMD 1 +HETATM 59139 C CMD B CLA TH 23 . ? 18.083 16.717 -7.566 0.60 47.99 ? 403 CLA d CMD 1 +HETATM 59140 C CAD A CLA TH 23 . ? 19.632 14.657 -5.128 0.40 51.48 ? 403 CLA d CAD 1 +HETATM 59141 C CAD B CLA TH 23 . ? 19.672 14.641 -5.113 0.60 51.66 ? 403 CLA d CAD 1 +HETATM 59142 O OBD A CLA TH 23 . ? 20.717 15.182 -5.556 0.40 48.41 ? 403 CLA d OBD 1 +HETATM 59143 O OBD B CLA TH 23 . ? 20.760 15.160 -5.538 0.60 48.54 ? 403 CLA d OBD 1 +HETATM 59144 C CBD A CLA TH 23 . ? 19.549 13.618 -4.060 0.40 48.23 ? 403 CLA d CBD 1 +HETATM 59145 C CBD B CLA TH 23 . ? 19.581 13.616 -4.041 0.60 48.26 ? 403 CLA d CBD 1 +HETATM 59146 C CGD A CLA TH 23 . ? 20.278 12.417 -4.593 0.40 50.05 ? 403 CLA d CGD 1 +HETATM 59147 C CGD B CLA TH 23 . ? 20.292 12.410 -4.567 0.60 50.13 ? 403 CLA d CGD 1 +HETATM 59148 O O1D A CLA TH 23 . ? 19.770 11.592 -5.350 0.40 49.30 ? 403 CLA d O1D 1 +HETATM 59149 O O1D B CLA TH 23 . ? 19.735 11.580 -5.277 0.60 49.55 ? 403 CLA d O1D 1 +HETATM 59150 O O2D A CLA TH 23 . ? 21.664 12.239 -4.240 0.40 49.58 ? 403 CLA d O2D 1 +HETATM 59151 O O2D B CLA TH 23 . ? 21.688 12.233 -4.244 0.60 49.73 ? 403 CLA d O2D 1 +HETATM 59152 C CED A CLA TH 23 . ? 22.393 11.193 -4.877 0.40 43.43 ? 403 CLA d CED 1 +HETATM 59153 C CED B CLA TH 23 . ? 22.397 11.149 -4.838 0.60 43.37 ? 403 CLA d CED 1 +HETATM 59154 C C1 A CLA TH 23 . ? 21.158 14.731 2.006 0.40 52.70 ? 403 CLA d C1 1 +HETATM 59155 C C1 B CLA TH 23 . ? 21.215 14.710 1.962 0.60 52.73 ? 403 CLA d C1 1 +HETATM 59156 C C2 A CLA TH 23 . ? 22.591 15.192 1.830 0.40 53.60 ? 403 CLA d C2 1 +HETATM 59157 C C2 B CLA TH 23 . ? 22.661 15.121 1.788 0.60 53.59 ? 403 CLA d C2 1 +HETATM 59158 C C3 A CLA TH 23 . ? 23.600 14.427 2.278 0.40 49.49 ? 403 CLA d C3 1 +HETATM 59159 C C3 B CLA TH 23 . ? 23.650 14.353 2.270 0.60 49.36 ? 403 CLA d C3 1 +HETATM 59160 C C4 A CLA TH 23 . ? 23.276 13.120 2.925 0.40 52.74 ? 403 CLA d C4 1 +HETATM 59161 C C4 B CLA TH 23 . ? 23.308 13.071 2.968 0.60 52.80 ? 403 CLA d C4 1 +HETATM 59162 C C5 A CLA TH 23 . ? 25.043 14.855 2.096 0.40 62.47 ? 403 CLA d C5 1 +HETATM 59163 C C5 B CLA TH 23 . ? 25.096 14.771 2.086 0.60 62.67 ? 403 CLA d C5 1 +HETATM 59164 C C6 A CLA TH 23 . ? 25.925 14.775 3.347 0.40 63.63 ? 403 CLA d C6 1 +HETATM 59165 C C6 B CLA TH 23 . ? 25.974 14.792 3.346 0.60 63.78 ? 403 CLA d C6 1 +HETATM 59166 C C7 A CLA TH 23 . ? 25.361 15.659 4.443 0.40 54.95 ? 403 CLA d C7 1 +HETATM 59167 C C7 B CLA TH 23 . ? 25.328 15.487 4.536 0.60 54.32 ? 403 CLA d C7 1 +HETATM 59168 C C8 A CLA TH 23 . ? 26.367 15.985 5.550 0.40 63.73 ? 403 CLA d C8 1 +HETATM 59169 C C8 B CLA TH 23 . ? 26.365 15.970 5.554 0.60 63.84 ? 403 CLA d C8 1 +HETATM 59170 C C9 A CLA TH 23 . ? 26.659 14.774 6.416 0.40 54.56 ? 403 CLA d C9 1 +HETATM 59171 C C9 B CLA TH 23 . ? 26.847 14.842 6.455 0.60 54.07 ? 403 CLA d C9 1 +HETATM 59172 C C10 A CLA TH 23 . ? 25.752 17.137 6.346 0.40 61.12 ? 403 CLA d C10 1 +HETATM 59173 C C10 B CLA TH 23 . ? 25.738 17.106 6.362 0.60 61.18 ? 403 CLA d C10 1 +HETATM 59174 C C11 A CLA TH 23 . ? 26.515 17.589 7.585 0.40 59.93 ? 403 CLA d C11 1 +HETATM 59175 C C11 B CLA TH 23 . ? 26.586 17.628 7.517 0.60 59.95 ? 403 CLA d C11 1 +HETATM 59176 C C12 A CLA TH 23 . ? 25.845 18.854 8.099 0.40 60.75 ? 403 CLA d C12 1 +HETATM 59177 C C12 B CLA TH 23 . ? 25.832 18.781 8.165 0.60 60.70 ? 403 CLA d C12 1 +HETATM 59178 C C13 A CLA TH 23 . ? 26.702 19.575 9.127 0.40 72.43 ? 403 CLA d C13 1 +HETATM 59179 C C13 B CLA TH 23 . ? 26.689 19.565 9.150 0.60 72.51 ? 403 CLA d C13 1 +HETATM 59180 C C14 A CLA TH 23 . ? 26.509 19.001 10.520 0.40 76.19 ? 403 CLA d C14 1 +HETATM 59181 C C14 B CLA TH 23 . ? 26.453 19.109 10.581 0.60 76.44 ? 403 CLA d C14 1 +HETATM 59182 C C15 A CLA TH 23 . ? 26.347 21.057 9.088 0.40 76.43 ? 403 CLA d C15 1 +HETATM 59183 C C15 B CLA TH 23 . ? 26.361 21.044 9.010 0.60 76.49 ? 403 CLA d C15 1 +HETATM 59184 C C16 A CLA TH 23 . ? 24.963 21.434 9.615 0.40 73.41 ? 403 CLA d C16 1 +HETATM 59185 C C16 B CLA TH 23 . ? 24.992 21.456 9.546 0.60 73.26 ? 403 CLA d C16 1 +HETATM 59186 C C17 A CLA TH 23 . ? 24.635 22.794 9.001 0.40 81.47 ? 403 CLA d C17 1 +HETATM 59187 C C17 B CLA TH 23 . ? 24.656 22.807 8.920 0.60 81.56 ? 403 CLA d C17 1 +HETATM 59188 C C18 A CLA TH 23 . ? 23.457 23.535 9.626 0.40 95.68 ? 403 CLA d C18 1 +HETATM 59189 C C18 B CLA TH 23 . ? 23.509 23.548 9.595 0.60 95.81 ? 403 CLA d C18 1 +HETATM 59190 C C19 A CLA TH 23 . ? 22.179 23.335 8.823 0.40 82.59 ? 403 CLA d C19 1 +HETATM 59191 C C19 B CLA TH 23 . ? 22.204 23.384 8.825 0.60 82.64 ? 403 CLA d C19 1 +HETATM 59192 C C20 A CLA TH 23 . ? 23.777 25.020 9.734 0.40 77.37 ? 403 CLA d C20 1 +HETATM 59193 C C20 B CLA TH 23 . ? 23.867 25.021 9.754 0.60 77.25 ? 403 CLA d C20 1 +HETATM 59194 MG MG . CLA UH 23 . ? 42.462 24.993 3.918 1.00 63.51 ? 404 CLA d MG 1 +HETATM 59195 C CHA . CLA UH 23 . ? 42.356 26.158 0.628 1.00 56.50 ? 404 CLA d CHA 1 +HETATM 59196 C CHB . CLA UH 23 . ? 42.765 21.858 2.667 1.00 55.24 ? 404 CLA d CHB 1 +HETATM 59197 C CHC . CLA UH 23 . ? 43.298 23.983 7.063 1.00 63.31 ? 404 CLA d CHC 1 +HETATM 59198 C CHD . CLA UH 23 . ? 42.612 28.484 5.019 1.00 52.15 ? 404 CLA d CHD 1 +HETATM 59199 N NA . CLA UH 23 . ? 42.597 24.150 2.015 1.00 67.68 ? 404 CLA d NA 1 +HETATM 59200 C C1A . CLA UH 23 . ? 42.461 24.685 0.850 1.00 61.04 ? 404 CLA d C1A 1 +HETATM 59201 C C2A . CLA UH 23 . ? 42.430 23.765 -0.336 1.00 62.99 ? 404 CLA d C2A 1 +HETATM 59202 C C3A . CLA UH 23 . ? 42.483 22.420 0.342 1.00 70.61 ? 404 CLA d C3A 1 +HETATM 59203 C C4A . CLA UH 23 . ? 42.620 22.837 1.779 1.00 61.29 ? 404 CLA d C4A 1 +HETATM 59204 C CMA . CLA UH 23 . ? 41.080 21.849 0.186 1.00 52.27 ? 404 CLA d CMA 1 +HETATM 59205 C CAA . CLA UH 23 . ? 43.763 23.879 -1.085 1.00 57.77 ? 404 CLA d CAA 1 +HETATM 59206 C CBA . CLA UH 23 . ? 44.972 23.568 -0.192 1.00 53.78 ? 404 CLA d CBA 1 +HETATM 59207 C CGA . CLA UH 23 . ? 46.300 23.600 -0.915 1.00 64.29 ? 404 CLA d CGA 1 +HETATM 59208 O O1A . CLA UH 23 . ? 46.377 23.748 -2.126 1.00 60.23 ? 404 CLA d O1A 1 +HETATM 59209 O O2A . CLA UH 23 . ? 47.525 23.484 -0.142 1.00 61.50 ? 404 CLA d O2A 1 +HETATM 59210 N NB . CLA UH 23 . ? 42.960 23.180 4.742 1.00 68.87 ? 404 CLA d NB 1 +HETATM 59211 C C1B . CLA UH 23 . ? 42.951 21.992 4.121 1.00 67.14 ? 404 CLA d C1B 1 +HETATM 59212 C C2B . CLA UH 23 . ? 43.228 20.817 4.985 1.00 59.50 ? 404 CLA d C2B 1 +HETATM 59213 C C3B . CLA UH 23 . ? 43.398 21.461 6.304 1.00 62.09 ? 404 CLA d C3B 1 +HETATM 59214 C C4B . CLA UH 23 . ? 43.208 22.920 6.036 1.00 69.40 ? 404 CLA d C4B 1 +HETATM 59215 C CMB . CLA UH 23 . ? 43.313 19.349 4.631 1.00 61.86 ? 404 CLA d CMB 1 +HETATM 59216 C CAB . CLA UH 23 . ? 43.682 20.750 7.583 1.00 69.70 ? 404 CLA d CAB 1 +HETATM 59217 C CBB . CLA UH 23 . ? 44.315 21.332 8.579 1.00 97.74 ? 404 CLA d CBB 1 +HETATM 59218 N NC . CLA UH 23 . ? 42.888 26.033 5.651 1.00 75.50 ? 404 CLA d NC 1 +HETATM 59219 C C1C . CLA UH 23 . ? 43.187 25.440 6.827 1.00 64.66 ? 404 CLA d C1C 1 +HETATM 59220 C C2C . CLA UH 23 . ? 43.407 26.401 7.953 1.00 71.08 ? 404 CLA d C2C 1 +HETATM 59221 C C3C . CLA UH 23 . ? 43.190 27.722 7.322 1.00 74.56 ? 404 CLA d C3C 1 +HETATM 59222 C C4C . CLA UH 23 . ? 42.887 27.361 5.920 1.00 56.68 ? 404 CLA d C4C 1 +HETATM 59223 C CMC . CLA UH 23 . ? 43.774 26.107 9.383 1.00 68.69 ? 404 CLA d CMC 1 +HETATM 59224 C CAC . CLA UH 23 . ? 43.265 29.119 7.909 1.00 68.58 ? 404 CLA d CAC 1 +HETATM 59225 C CBC . CLA UH 23 . ? 44.729 29.471 7.890 1.00 73.96 ? 404 CLA d CBC 1 +HETATM 59226 N ND . CLA UH 23 . ? 42.539 26.864 3.128 1.00 60.41 ? 404 CLA d ND 1 +HETATM 59227 C C1D . CLA UH 23 . ? 42.490 28.228 3.585 1.00 63.42 ? 404 CLA d C1D 1 +HETATM 59228 C C2D . CLA UH 23 . ? 42.318 29.269 2.543 1.00 62.57 ? 404 CLA d C2D 1 +HETATM 59229 C C3D . CLA UH 23 . ? 42.257 28.391 1.340 1.00 69.18 ? 404 CLA d C3D 1 +HETATM 59230 C C4D . CLA UH 23 . ? 42.412 27.078 1.768 1.00 63.58 ? 404 CLA d C4D 1 +HETATM 59231 C CMD . CLA UH 23 . ? 42.222 30.779 2.489 1.00 64.05 ? 404 CLA d CMD 1 +HETATM 59232 C CAD . CLA UH 23 . ? 42.136 28.369 -0.139 1.00 57.68 ? 404 CLA d CAD 1 +HETATM 59233 O OBD . CLA UH 23 . ? 41.979 29.411 -0.874 1.00 59.53 ? 404 CLA d OBD 1 +HETATM 59234 C CBD . CLA UH 23 . ? 42.169 26.958 -0.617 1.00 63.59 ? 404 CLA d CBD 1 +HETATM 59235 C CGD . CLA UH 23 . ? 40.782 26.693 -1.110 1.00 52.34 ? 404 CLA d CGD 1 +HETATM 59236 O O1D . CLA UH 23 . ? 39.943 26.168 -0.404 1.00 62.85 ? 404 CLA d O1D 1 +HETATM 59237 O O2D . CLA UH 23 . ? 40.380 27.096 -2.425 1.00 57.34 ? 404 CLA d O2D 1 +HETATM 59238 C CED . CLA UH 23 . ? 38.996 26.935 -2.732 1.00 71.00 ? 404 CLA d CED 1 +HETATM 59239 C C1 . CLA UH 23 . ? 48.737 23.024 -0.730 1.00 72.99 ? 404 CLA d C1 1 +HETATM 59240 C C2 . CLA UH 23 . ? 49.784 22.923 0.355 1.00 72.52 ? 404 CLA d C2 1 +HETATM 59241 C C3 . CLA UH 23 . ? 50.289 21.770 0.813 1.00 76.36 ? 404 CLA d C3 1 +HETATM 59242 C C4 . CLA UH 23 . ? 49.814 20.451 0.291 1.00 67.50 ? 404 CLA d C4 1 +HETATM 59243 C C5 . CLA UH 23 . ? 51.334 21.835 1.898 1.00 81.87 ? 404 CLA d C5 1 +HETATM 59244 C C6 . CLA UH 23 . ? 52.133 20.559 2.111 1.00 84.31 ? 404 CLA d C6 1 +HETATM 59245 C C7 . CLA UH 23 . ? 53.602 20.757 1.746 1.00 102.27 ? 404 CLA d C7 1 +HETATM 59246 C C8 . CLA UH 23 . ? 54.437 19.611 2.311 1.00 106.12 ? 404 CLA d C8 1 +HETATM 59247 C C9 . CLA UH 23 . ? 54.481 19.721 3.831 1.00 105.49 ? 404 CLA d C9 1 +HETATM 59248 C C10 . CLA UH 23 . ? 55.848 19.612 1.718 1.00 117.13 ? 404 CLA d C10 1 +HETATM 59249 C C11 . CLA UH 23 . ? 56.528 18.242 1.846 1.00 120.83 ? 404 CLA d C11 1 +HETATM 59250 C C12 . CLA UH 23 . ? 57.992 18.271 1.398 1.00 113.10 ? 404 CLA d C12 1 +HETATM 59251 C C13 . CLA UH 23 . ? 58.717 16.949 1.660 1.00 102.69 ? 404 CLA d C13 1 +HETATM 59252 C C14 . CLA UH 23 . ? 58.251 16.307 2.961 1.00 115.57 ? 404 CLA d C14 1 +HETATM 59253 C C15 . CLA UH 23 . ? 60.231 17.172 1.677 1.00 134.49 ? 404 CLA d C15 1 +HETATM 59254 C C16 . CLA UH 23 . ? 60.765 17.801 0.388 1.00 149.58 ? 404 CLA d C16 1 +HETATM 59255 C C17 . CLA UH 23 . ? 62.160 18.417 0.546 1.00 157.00 ? 404 CLA d C17 1 +HETATM 59256 C C18 . CLA UH 23 . ? 62.871 18.562 -0.805 1.00 156.00 ? 404 CLA d C18 1 +HETATM 59257 C C19 . CLA UH 23 . ? 64.007 17.548 -0.947 1.00 110.63 ? 404 CLA d C19 1 +HETATM 59258 C C20 . CLA UH 23 . ? 63.359 19.990 -1.063 1.00 130.00 ? 404 CLA d C20 1 +HETATM 59259 C C1 . BCR VH 25 . ? 38.955 32.155 6.958 1.00 77.83 ? 405 BCR d C1 1 +HETATM 59260 C C2 . BCR VH 25 . ? 39.630 32.188 5.595 1.00 79.38 ? 405 BCR d C2 1 +HETATM 59261 C C3 . BCR VH 25 . ? 38.869 33.100 4.650 1.00 86.55 ? 405 BCR d C3 1 +HETATM 59262 C C4 . BCR VH 25 . ? 37.500 32.513 4.370 1.00 64.45 ? 405 BCR d C4 1 +HETATM 59263 C C5 . BCR VH 25 . ? 36.802 32.142 5.665 1.00 85.52 ? 405 BCR d C5 1 +HETATM 59264 C C6 . BCR VH 25 . ? 37.451 31.977 6.846 1.00 77.27 ? 405 BCR d C6 1 +HETATM 59265 C C7 . BCR VH 25 . ? 36.685 31.587 8.068 1.00 70.25 ? 405 BCR d C7 1 +HETATM 59266 C C8 . BCR VH 25 . ? 35.781 32.323 8.733 1.00 56.75 ? 405 BCR d C8 1 +HETATM 59267 C C9 . BCR VH 25 . ? 35.080 31.714 9.891 1.00 70.64 ? 405 BCR d C9 1 +HETATM 59268 C C10 . BCR VH 25 . ? 33.870 32.198 10.245 1.00 55.11 ? 405 BCR d C10 1 +HETATM 59269 C C11 . BCR VH 25 . ? 33.036 31.680 11.342 1.00 53.49 ? 405 BCR d C11 1 +HETATM 59270 C C33 . BCR VH 25 . ? 35.313 31.949 5.553 1.00 67.10 ? 405 BCR d C33 1 +HETATM 59271 C C31 . BCR VH 25 . ? 39.249 33.431 7.737 1.00 93.15 ? 405 BCR d C31 1 +HETATM 59272 C C32 . BCR VH 25 . ? 39.539 30.976 7.697 1.00 69.69 ? 405 BCR d C32 1 +HETATM 59273 C C34 . BCR VH 25 . ? 35.703 30.570 10.651 1.00 58.14 ? 405 BCR d C34 1 +HETATM 59274 C C12 . BCR VH 25 . ? 31.849 32.296 11.445 1.00 57.19 ? 405 BCR d C12 1 +HETATM 59275 C C13 . BCR VH 25 . ? 30.776 31.945 12.390 1.00 54.55 ? 405 BCR d C13 1 +HETATM 59276 C C14 . BCR VH 25 . ? 29.609 32.622 12.364 1.00 57.30 ? 405 BCR d C14 1 +HETATM 59277 C C15 . BCR VH 25 . ? 28.497 32.209 13.223 1.00 52.63 ? 405 BCR d C15 1 +HETATM 59278 C C16 . BCR VH 25 . ? 27.266 32.708 13.029 1.00 51.24 ? 405 BCR d C16 1 +HETATM 59279 C C17 . BCR VH 25 . ? 26.129 32.217 13.825 1.00 58.90 ? 405 BCR d C17 1 +HETATM 59280 C C18 . BCR VH 25 . ? 24.869 32.668 13.618 1.00 56.18 ? 405 BCR d C18 1 +HETATM 59281 C C19 . BCR VH 25 . ? 23.743 32.091 14.388 1.00 59.37 ? 405 BCR d C19 1 +HETATM 59282 C C20 . BCR VH 25 . ? 22.475 32.516 14.409 1.00 58.23 ? 405 BCR d C20 1 +HETATM 59283 C C21 . BCR VH 25 . ? 21.566 31.686 15.224 1.00 61.42 ? 405 BCR d C21 1 +HETATM 59284 C C22 . BCR VH 25 . ? 20.233 31.873 15.368 1.00 69.65 ? 405 BCR d C22 1 +HETATM 59285 C C23 . BCR VH 25 . ? 19.535 30.980 16.096 1.00 71.61 ? 405 BCR d C23 1 +HETATM 59286 C C24 . BCR VH 25 . ? 18.205 30.798 15.970 1.00 83.69 ? 405 BCR d C24 1 +HETATM 59287 C C25 . BCR VH 25 . ? 17.459 29.748 16.728 1.00 86.21 ? 405 BCR d C25 1 +HETATM 59288 C C26 . BCR VH 25 . ? 17.498 28.478 16.304 1.00 110.78 ? 405 BCR d C26 1 +HETATM 59289 C C27 . BCR VH 25 . ? 16.762 27.371 17.030 1.00 113.91 ? 405 BCR d C27 1 +HETATM 59290 C C28 . BCR VH 25 . ? 16.730 27.682 18.520 1.00 109.81 ? 405 BCR d C28 1 +HETATM 59291 C C29 . BCR VH 25 . ? 15.959 28.973 18.677 1.00 88.36 ? 405 BCR d C29 1 +HETATM 59292 C C30 . BCR VH 25 . ? 16.656 30.118 17.943 1.00 97.37 ? 405 BCR d C30 1 +HETATM 59293 C C35 . BCR VH 25 . ? 30.958 30.782 13.325 1.00 61.15 ? 405 BCR d C35 1 +HETATM 59294 C C36 . BCR VH 25 . ? 24.622 33.713 12.574 1.00 54.84 ? 405 BCR d C36 1 +HETATM 59295 C C37 . BCR VH 25 . ? 19.538 33.016 14.693 1.00 62.35 ? 405 BCR d C37 1 +HETATM 59296 C C38 . BCR VH 25 . ? 18.290 28.105 15.082 1.00 99.25 ? 405 BCR d C38 1 +HETATM 59297 C C39 . BCR VH 25 . ? 17.631 30.760 18.923 1.00 95.24 ? 405 BCR d C39 1 +HETATM 59298 C C40 . BCR VH 25 . ? 15.582 31.038 17.391 1.00 96.83 ? 405 BCR d C40 1 +HETATM 59299 C C2 A PL9 WH 29 . ? 8.878 -3.903 14.650 0.40 50.00 ? 406 PL9 d C2 1 +HETATM 59300 C C2 B PL9 WH 29 . ? 8.862 -4.003 14.606 0.60 49.64 ? 406 PL9 d C2 1 +HETATM 59301 C C3 A PL9 WH 29 . ? 8.119 -4.900 14.056 0.40 52.49 ? 406 PL9 d C3 1 +HETATM 59302 C C3 B PL9 WH 29 . ? 8.206 -5.069 14.005 0.60 52.76 ? 406 PL9 d C3 1 +HETATM 59303 C C4 A PL9 WH 29 . ? 8.257 -6.297 14.536 0.40 59.44 ? 406 PL9 d C4 1 +HETATM 59304 C C4 B PL9 WH 29 . ? 8.333 -6.436 14.557 0.60 60.17 ? 406 PL9 d C4 1 +HETATM 59305 C C5 A PL9 WH 29 . ? 8.907 -6.554 15.847 0.40 55.79 ? 406 PL9 d C5 1 +HETATM 59306 C C5 B PL9 WH 29 . ? 9.067 -6.631 15.830 0.60 56.08 ? 406 PL9 d C5 1 +HETATM 59307 C C6 A PL9 WH 29 . ? 9.678 -5.456 16.451 0.40 52.29 ? 406 PL9 d C6 1 +HETATM 59308 C C6 B PL9 WH 29 . ? 9.742 -5.463 16.435 0.60 52.23 ? 406 PL9 d C6 1 +HETATM 59309 C C1 A PL9 WH 29 . ? 9.644 -4.134 15.797 0.40 56.88 ? 406 PL9 d C1 1 +HETATM 59310 C C1 B PL9 WH 29 . ? 9.624 -4.147 15.762 0.60 56.98 ? 406 PL9 d C1 1 +HETATM 59311 C C7 A PL9 WH 29 . ? 7.341 -4.664 12.777 0.40 53.70 ? 406 PL9 d C7 1 +HETATM 59312 C C7 B PL9 WH 29 . ? 7.421 -4.876 12.728 0.60 54.48 ? 406 PL9 d C7 1 +HETATM 59313 C C8 A PL9 WH 29 . ? 8.175 -4.354 11.558 0.40 50.53 ? 406 PL9 d C8 1 +HETATM 59314 C C8 B PL9 WH 29 . ? 8.225 -4.417 11.532 0.60 50.48 ? 406 PL9 d C8 1 +HETATM 59315 C C9 A PL9 WH 29 . ? 8.027 -4.998 10.395 0.40 52.57 ? 406 PL9 d C9 1 +HETATM 59316 C C9 B PL9 WH 29 . ? 8.105 -5.062 10.368 0.60 52.64 ? 406 PL9 d C9 1 +HETATM 59317 C C10 A PL9 WH 29 . ? 7.083 -6.162 10.263 0.40 50.12 ? 406 PL9 d C10 1 +HETATM 59318 C C10 B PL9 WH 29 . ? 7.181 -6.244 10.252 0.60 50.06 ? 406 PL9 d C10 1 +HETATM 59319 C C11 A PL9 WH 29 . ? 8.904 -4.585 9.229 0.40 59.40 ? 406 PL9 d C11 1 +HETATM 59320 C C11 B PL9 WH 29 . ? 8.920 -4.598 9.179 0.60 59.58 ? 406 PL9 d C11 1 +HETATM 59321 C C12 A PL9 WH 29 . ? 8.055 -4.104 8.054 0.40 55.10 ? 406 PL9 d C12 1 +HETATM 59322 C C12 B PL9 WH 29 . ? 8.027 -3.999 8.095 0.60 55.10 ? 406 PL9 d C12 1 +HETATM 59323 C C13 A PL9 WH 29 . ? 8.907 -3.264 7.122 0.40 50.79 ? 406 PL9 d C13 1 +HETATM 59324 C C13 B PL9 WH 29 . ? 8.900 -3.258 7.109 0.60 50.78 ? 406 PL9 d C13 1 +HETATM 59325 C C14 A PL9 WH 29 . ? 8.412 -2.681 6.016 0.40 52.76 ? 406 PL9 d C14 1 +HETATM 59326 C C14 B PL9 WH 29 . ? 8.406 -2.682 5.999 0.60 52.87 ? 406 PL9 d C14 1 +HETATM 59327 C C15 A PL9 WH 29 . ? 6.934 -2.629 5.752 0.40 44.48 ? 406 PL9 d C15 1 +HETATM 59328 C C15 B PL9 WH 29 . ? 6.925 -2.656 5.738 0.60 44.44 ? 406 PL9 d C15 1 +HETATM 59329 C C16 A PL9 WH 29 . ? 9.316 -1.829 5.169 0.40 48.91 ? 406 PL9 d C16 1 +HETATM 59330 C C16 B PL9 WH 29 . ? 9.305 -1.858 5.115 0.60 48.88 ? 406 PL9 d C16 1 +HETATM 59331 C C17 A PL9 WH 29 . ? 10.759 -2.325 5.164 0.40 47.21 ? 406 PL9 d C17 1 +HETATM 59332 C C17 B PL9 WH 29 . ? 10.760 -2.312 5.114 0.60 47.27 ? 406 PL9 d C17 1 +HETATM 59333 C C18 A PL9 WH 29 . ? 11.524 -1.437 4.185 0.40 51.39 ? 406 PL9 d C18 1 +HETATM 59334 C C18 B PL9 WH 29 . ? 11.496 -1.415 4.122 0.60 51.52 ? 406 PL9 d C18 1 +HETATM 59335 C C19 A PL9 WH 29 . ? 11.901 -1.886 2.958 0.40 44.66 ? 406 PL9 d C19 1 +HETATM 59336 C C19 B PL9 WH 29 . ? 11.901 -1.869 2.914 0.60 44.57 ? 406 PL9 d C19 1 +HETATM 59337 C C20 A PL9 WH 29 . ? 11.478 -3.245 2.499 0.40 44.96 ? 406 PL9 d C20 1 +HETATM 59338 C C20 B PL9 WH 29 . ? 11.518 -3.249 2.480 0.60 44.86 ? 406 PL9 d C20 1 +HETATM 59339 C C21 A PL9 WH 29 . ? 12.555 -0.952 1.953 0.40 47.49 ? 406 PL9 d C21 1 +HETATM 59340 C C21 B PL9 WH 29 . ? 12.589 -0.946 1.926 0.60 47.53 ? 406 PL9 d C21 1 +HETATM 59341 C C22 A PL9 WH 29 . ? 13.777 -1.567 1.266 0.40 44.35 ? 406 PL9 d C22 1 +HETATM 59342 C C22 B PL9 WH 29 . ? 13.782 -1.609 1.228 0.60 44.28 ? 406 PL9 d C22 1 +HETATM 59343 C C23 A PL9 WH 29 . ? 14.443 -0.480 0.418 0.40 47.93 ? 406 PL9 d C23 1 +HETATM 59344 C C23 B PL9 WH 29 . ? 14.526 -0.545 0.424 0.60 48.19 ? 406 PL9 d C23 1 +HETATM 59345 C C24 A PL9 WH 29 . ? 15.730 -0.598 0.040 0.40 45.43 ? 406 PL9 d C24 1 +HETATM 59346 C C24 B PL9 WH 29 . ? 15.806 -0.728 0.029 0.60 45.45 ? 406 PL9 d C24 1 +HETATM 59347 C C25 A PL9 WH 29 . ? 16.497 -1.849 0.372 0.40 48.02 ? 406 PL9 d C25 1 +HETATM 59348 C C25 B PL9 WH 29 . ? 16.517 -2.002 0.381 0.60 48.02 ? 406 PL9 d C25 1 +HETATM 59349 C C26 A PL9 WH 29 . ? 16.425 0.454 -0.786 0.40 44.04 ? 406 PL9 d C26 1 +HETATM 59350 C C26 B PL9 WH 29 . ? 16.545 0.318 -0.776 0.60 43.88 ? 406 PL9 d C26 1 +HETATM 59351 C C27 A PL9 WH 29 . ? 16.744 -0.127 -2.167 0.40 41.18 ? 406 PL9 d C27 1 +HETATM 59352 C C27 B PL9 WH 29 . ? 16.823 -0.190 -2.196 0.60 40.99 ? 406 PL9 d C27 1 +HETATM 59353 C C28 A PL9 WH 29 . ? 15.448 -0.319 -2.919 0.40 42.32 ? 406 PL9 d C28 1 +HETATM 59354 C C28 B PL9 WH 29 . ? 15.511 -0.363 -2.922 0.60 42.24 ? 406 PL9 d C28 1 +HETATM 59355 C C29 A PL9 WH 29 . ? 15.235 -1.426 -3.636 0.40 50.71 ? 406 PL9 d C29 1 +HETATM 59356 C C29 B PL9 WH 29 . ? 15.236 -1.474 -3.631 0.60 50.83 ? 406 PL9 d C29 1 +HETATM 59357 C C30 A PL9 WH 29 . ? 16.276 -2.516 -3.713 0.40 50.66 ? 406 PL9 d C30 1 +HETATM 59358 C C30 B PL9 WH 29 . ? 16.221 -2.612 -3.702 0.60 50.57 ? 406 PL9 d C30 1 +HETATM 59359 C C31 A PL9 WH 29 . ? 13.907 -1.659 -4.313 0.40 54.71 ? 406 PL9 d C31 1 +HETATM 59360 C C31 B PL9 WH 29 . ? 13.857 -1.705 -4.207 0.60 54.87 ? 406 PL9 d C31 1 +HETATM 59361 C C32 A PL9 WH 29 . ? 12.948 -0.480 -4.165 0.40 54.62 ? 406 PL9 d C32 1 +HETATM 59362 C C32 B PL9 WH 29 . ? 12.967 -0.469 -4.195 0.60 54.74 ? 406 PL9 d C32 1 +HETATM 59363 C C33 A PL9 WH 29 . ? 11.776 -0.837 -5.043 0.40 53.56 ? 406 PL9 d C33 1 +HETATM 59364 C C33 B PL9 WH 29 . ? 11.755 -0.825 -5.023 0.60 53.58 ? 406 PL9 d C33 1 +HETATM 59365 C C34 A PL9 WH 29 . ? 10.994 0.046 -5.665 0.40 55.01 ? 406 PL9 d C34 1 +HETATM 59366 C C34 B PL9 WH 29 . ? 10.998 0.068 -5.677 0.60 55.12 ? 406 PL9 d C34 1 +HETATM 59367 C C35 A PL9 WH 29 . ? 11.376 1.491 -5.825 0.40 46.91 ? 406 PL9 d C35 1 +HETATM 59368 C C35 B PL9 WH 29 . ? 11.391 1.517 -5.790 0.60 46.84 ? 406 PL9 d C35 1 +HETATM 59369 C C36 A PL9 WH 29 . ? 9.961 -0.536 -6.583 0.40 60.68 ? 406 PL9 d C36 1 +HETATM 59370 C C36 B PL9 WH 29 . ? 9.943 -0.469 -6.605 0.60 60.87 ? 406 PL9 d C36 1 +HETATM 59371 C C37 A PL9 WH 29 . ? 8.571 -0.339 -6.012 0.40 54.04 ? 406 PL9 d C37 1 +HETATM 59372 C C37 B PL9 WH 29 . ? 8.552 -0.433 -5.993 0.60 53.94 ? 406 PL9 d C37 1 +HETATM 59373 C C38 A PL9 WH 29 . ? 7.669 -0.579 -7.197 0.40 61.82 ? 406 PL9 d C38 1 +HETATM 59374 C C38 B PL9 WH 29 . ? 7.634 -0.649 -7.177 0.60 61.87 ? 406 PL9 d C38 1 +HETATM 59375 C C39 A PL9 WH 29 . ? 6.668 -1.447 -7.114 0.40 65.39 ? 406 PL9 d C39 1 +HETATM 59376 C C39 B PL9 WH 29 . ? 6.646 -1.542 -7.111 0.60 65.60 ? 406 PL9 d C39 1 +HETATM 59377 C C40 A PL9 WH 29 . ? 6.472 -2.202 -5.832 0.40 72.12 ? 406 PL9 d C40 1 +HETATM 59378 C C40 B PL9 WH 29 . ? 6.504 -2.379 -5.870 0.60 72.63 ? 406 PL9 d C40 1 +HETATM 59379 C C41 A PL9 WH 29 . ? 5.802 -1.715 -8.320 0.40 53.36 ? 406 PL9 d C41 1 +HETATM 59380 C C41 B PL9 WH 29 . ? 5.792 -1.829 -8.321 0.60 53.27 ? 406 PL9 d C41 1 +HETATM 59381 C C42 A PL9 WH 29 . ? 4.467 -1.034 -8.081 0.40 63.30 ? 406 PL9 d C42 1 +HETATM 59382 C C42 B PL9 WH 29 . ? 4.508 -1.023 -8.239 0.60 63.86 ? 406 PL9 d C42 1 +HETATM 59383 C C43 A PL9 WH 29 . ? 3.291 -1.885 -8.508 0.40 56.82 ? 406 PL9 d C43 1 +HETATM 59384 C C43 B PL9 WH 29 . ? 3.300 -1.868 -8.583 0.60 56.77 ? 406 PL9 d C43 1 +HETATM 59385 C C44 A PL9 WH 29 . ? 2.248 -1.276 -9.102 0.40 59.86 ? 406 PL9 d C44 1 +HETATM 59386 C C44 B PL9 WH 29 . ? 2.221 -1.276 -9.129 0.60 59.93 ? 406 PL9 d C44 1 +HETATM 59387 C C45 A PL9 WH 29 . ? 2.319 0.197 -9.394 0.40 51.52 ? 406 PL9 d C45 1 +HETATM 59388 C C45 B PL9 WH 29 . ? 2.283 0.185 -9.489 0.60 51.42 ? 406 PL9 d C45 1 +HETATM 59389 C C46 A PL9 WH 29 . ? 0.945 -2.000 -9.341 0.40 53.03 ? 406 PL9 d C46 1 +HETATM 59390 C C46 B PL9 WH 29 . ? 0.922 -2.030 -9.317 0.60 52.96 ? 406 PL9 d C46 1 +HETATM 59391 C C47 A PL9 WH 29 . ? 1.166 -3.253 -10.169 0.40 70.20 ? 406 PL9 d C47 1 +HETATM 59392 C C47 B PL9 WH 29 . ? 1.123 -3.258 -10.198 0.60 70.47 ? 406 PL9 d C47 1 +HETATM 59393 C C48 A PL9 WH 29 . ? -0.160 -3.930 -10.410 0.40 54.01 ? 406 PL9 d C48 1 +HETATM 59394 C C48 B PL9 WH 29 . ? -0.204 -3.942 -10.426 0.60 53.96 ? 406 PL9 d C48 1 +HETATM 59395 C C49 A PL9 WH 29 . ? -0.282 -4.796 -11.421 0.40 50.61 ? 406 PL9 d C49 1 +HETATM 59396 C C49 B PL9 WH 29 . ? -0.362 -4.822 -11.420 0.60 50.52 ? 406 PL9 d C49 1 +HETATM 59397 C C50 A PL9 WH 29 . ? -1.613 -5.403 -11.708 0.40 61.11 ? 406 PL9 d C50 1 +HETATM 59398 C C50 B PL9 WH 29 . ? -1.710 -5.432 -11.645 0.60 61.41 ? 406 PL9 d C50 1 +HETATM 59399 C C51 A PL9 WH 29 . ? 0.857 -5.043 -12.361 0.40 53.16 ? 406 PL9 d C51 1 +HETATM 59400 C C51 B PL9 WH 29 . ? 0.764 -5.152 -12.358 0.60 52.99 ? 406 PL9 d C51 1 +HETATM 59401 C C52 A PL9 WH 29 . ? 8.957 -7.951 16.422 0.40 53.09 ? 406 PL9 d C52 1 +HETATM 59402 C C52 B PL9 WH 29 . ? 9.170 -8.009 16.425 0.60 53.54 ? 406 PL9 d C52 1 +HETATM 59403 C C53 A PL9 WH 29 . ? 10.458 -5.672 17.727 0.40 57.93 ? 406 PL9 d C53 1 +HETATM 59404 C C53 B PL9 WH 29 . ? 10.503 -5.580 17.732 0.60 57.96 ? 406 PL9 d C53 1 +HETATM 59405 O O1 A PL9 WH 29 . ? 7.741 -7.234 13.887 0.40 57.59 ? 406 PL9 d O1 1 +HETATM 59406 O O1 B PL9 WH 29 . ? 7.848 -7.415 13.936 0.60 58.06 ? 406 PL9 d O1 1 +HETATM 59407 O O2 A PL9 WH 29 . ? 10.248 -3.191 16.340 0.40 57.73 ? 406 PL9 d O2 1 +HETATM 59408 O O2 B PL9 WH 29 . ? 10.163 -3.138 16.279 0.60 58.02 ? 406 PL9 d O2 1 +HETATM 59409 O O1 A LHG XH 32 . ? 18.257 -15.281 8.762 0.40 70.63 ? 407 LHG d O1 1 +HETATM 59410 O O1 B LHG XH 32 . ? 18.324 -15.234 8.679 0.60 70.92 ? 407 LHG d O1 1 +HETATM 59411 C C1 A LHG XH 32 . ? 17.598 -14.085 9.211 0.40 67.14 ? 407 LHG d C1 1 +HETATM 59412 C C1 B LHG XH 32 . ? 17.711 -14.081 9.276 0.60 67.35 ? 407 LHG d C1 1 +HETATM 59413 C C2 A LHG XH 32 . ? 16.581 -14.539 10.238 0.40 66.92 ? 407 LHG d C2 1 +HETATM 59414 C C2 B LHG XH 32 . ? 16.643 -14.594 10.224 0.60 66.99 ? 407 LHG d C2 1 +HETATM 59415 O O2 A LHG XH 32 . ? 15.783 -15.541 9.592 0.40 79.66 ? 407 LHG d O2 1 +HETATM 59416 O O2 B LHG XH 32 . ? 15.789 -15.473 9.482 0.60 79.95 ? 407 LHG d O2 1 +HETATM 59417 C C3 A LHG XH 32 . ? 15.724 -13.370 10.689 0.40 65.96 ? 407 LHG d C3 1 +HETATM 59418 C C3 B LHG XH 32 . ? 15.832 -13.439 10.785 0.60 66.45 ? 407 LHG d C3 1 +HETATM 59419 O O3 A LHG XH 32 . ? 14.357 -13.605 10.391 0.40 54.75 ? 407 LHG d O3 1 +HETATM 59420 O O3 B LHG XH 32 . ? 14.503 -13.514 10.289 0.60 54.75 ? 407 LHG d O3 1 +HETATM 59421 P P A LHG XH 32 . ? 13.175 -12.866 11.199 0.40 55.82 ? 407 LHG d P 1 +HETATM 59422 P P B LHG XH 32 . ? 13.270 -12.908 11.130 0.60 55.93 ? 407 LHG d P 1 +HETATM 59423 O O4 A LHG XH 32 . ? 12.190 -13.921 11.639 0.40 61.15 ? 407 LHG d O4 1 +HETATM 59424 O O4 B LHG XH 32 . ? 12.327 -14.033 11.490 0.60 61.72 ? 407 LHG d O4 1 +HETATM 59425 O O5 A LHG XH 32 . ? 13.730 -11.880 12.193 0.40 51.70 ? 407 LHG d O5 1 +HETATM 59426 O O5 B LHG XH 32 . ? 13.792 -11.972 12.190 0.60 51.64 ? 407 LHG d O5 1 +HETATM 59427 O O6 A LHG XH 32 . ? 12.475 -12.049 10.021 0.40 58.51 ? 407 LHG d O6 1 +HETATM 59428 O O6 B LHG XH 32 . ? 12.569 -12.018 9.984 0.60 58.76 ? 407 LHG d O6 1 +HETATM 59429 C C4 A LHG XH 32 . ? 11.358 -12.593 9.342 0.40 51.93 ? 407 LHG d C4 1 +HETATM 59430 C C4 B LHG XH 32 . ? 11.386 -12.468 9.338 0.60 51.99 ? 407 LHG d C4 1 +HETATM 59431 C C5 A LHG XH 32 . ? 11.312 -11.908 7.997 0.40 50.66 ? 407 LHG d C5 1 +HETATM 59432 C C5 B LHG XH 32 . ? 11.341 -11.809 7.970 0.60 50.46 ? 407 LHG d C5 1 +HETATM 59433 C C6 A LHG XH 32 . ? 10.421 -12.753 7.117 0.40 54.24 ? 407 LHG d C6 1 +HETATM 59434 C C6 B LHG XH 32 . ? 10.446 -12.632 7.063 0.60 54.27 ? 407 LHG d C6 1 +HETATM 59435 O O7 A LHG XH 32 . ? 10.691 -10.643 8.145 0.40 51.72 ? 407 LHG d O7 1 +HETATM 59436 O O7 B LHG XH 32 . ? 10.736 -10.537 8.111 0.60 51.57 ? 407 LHG d O7 1 +HETATM 59437 C C7 A LHG XH 32 . ? 11.565 -9.520 7.903 0.40 49.91 ? 407 LHG d C7 1 +HETATM 59438 C C7 B LHG XH 32 . ? 11.635 -9.431 7.862 0.60 49.92 ? 407 LHG d C7 1 +HETATM 59439 O O9 A LHG XH 32 . ? 12.730 -9.707 7.600 0.40 52.51 ? 407 LHG d O9 1 +HETATM 59440 O O9 B LHG XH 32 . ? 12.806 -9.637 7.587 0.60 52.58 ? 407 LHG d O9 1 +HETATM 59441 C C8 A LHG XH 32 . ? 10.985 -8.136 8.018 0.40 53.55 ? 407 LHG d C8 1 +HETATM 59442 C C8 B LHG XH 32 . ? 11.076 -8.038 7.927 0.60 53.30 ? 407 LHG d C8 1 +HETATM 59443 C C9 A LHG XH 32 . ? 11.482 -7.275 6.874 0.40 57.64 ? 407 LHG d C9 1 +HETATM 59444 C C9 B LHG XH 32 . ? 11.646 -7.221 6.781 0.60 58.40 ? 407 LHG d C9 1 +HETATM 59445 C C10 A LHG XH 32 . ? 10.840 -7.693 5.548 0.40 59.58 ? 407 LHG d C10 1 +HETATM 59446 C C10 B LHG XH 32 . ? 11.016 -7.592 5.435 0.60 59.43 ? 407 LHG d C10 1 +HETATM 59447 O O8 A LHG XH 32 . ? 10.143 -11.931 6.007 0.40 55.47 ? 407 LHG d O8 1 +HETATM 59448 O O8 B LHG XH 32 . ? 10.250 -11.852 5.891 0.60 55.65 ? 407 LHG d O8 1 +HETATM 59449 C C23 A LHG XH 32 . ? 9.707 -12.529 4.781 0.40 51.55 ? 407 LHG d C23 1 +HETATM 59450 C C23 B LHG XH 32 . ? 9.765 -12.471 4.688 0.60 51.42 ? 407 LHG d C23 1 +HETATM 59451 O O10 A LHG XH 32 . ? 9.129 -13.596 4.854 0.40 54.44 ? 407 LHG d O10 1 +HETATM 59452 O O10 B LHG XH 32 . ? 9.162 -13.525 4.799 0.60 54.65 ? 407 LHG d O10 1 +HETATM 59453 C C24 A LHG XH 32 . ? 9.977 -11.821 3.483 0.40 53.73 ? 407 LHG d C24 1 +HETATM 59454 C C24 B LHG XH 32 . ? 10.014 -11.808 3.353 0.60 53.87 ? 407 LHG d C24 1 +HETATM 59455 C C11 A LHG XH 32 . ? 9.789 -6.654 5.191 0.40 62.52 ? 407 LHG d C11 1 +HETATM 59456 C C11 B LHG XH 32 . ? 9.748 -6.773 5.230 0.60 62.86 ? 407 LHG d C11 1 +HETATM 59457 C C12 A LHG XH 32 . ? 9.326 -6.744 3.747 0.40 57.67 ? 407 LHG d C12 1 +HETATM 59458 C C12 B LHG XH 32 . ? 9.278 -6.787 3.783 0.60 57.59 ? 407 LHG d C12 1 +HETATM 59459 C C13 A LHG XH 32 . ? 7.976 -6.051 3.611 0.40 57.06 ? 407 LHG d C13 1 +HETATM 59460 C C13 B LHG XH 32 . ? 7.939 -6.077 3.642 0.60 56.95 ? 407 LHG d C13 1 +HETATM 59461 C C14 A LHG XH 32 . ? 7.767 -5.623 2.165 0.40 72.99 ? 407 LHG d C14 1 +HETATM 59462 C C14 B LHG XH 32 . ? 7.729 -5.672 2.186 0.60 73.22 ? 407 LHG d C14 1 +HETATM 59463 C C15 A LHG XH 32 . ? 6.296 -5.349 1.879 0.40 72.91 ? 407 LHG d C15 1 +HETATM 59464 C C15 B LHG XH 32 . ? 6.262 -5.428 1.854 0.60 73.12 ? 407 LHG d C15 1 +HETATM 59465 C C16 A LHG XH 32 . ? 5.956 -5.840 0.476 0.40 72.19 ? 407 LHG d C16 1 +HETATM 59466 C C16 B LHG XH 32 . ? 5.976 -5.840 0.410 0.60 72.21 ? 407 LHG d C16 1 +HETATM 59467 C C17 A LHG XH 32 . ? 6.690 -5.004 -0.552 0.40 59.04 ? 407 LHG d C17 1 +HETATM 59468 C C17 B LHG XH 32 . ? 6.743 -4.972 -0.576 0.60 58.97 ? 407 LHG d C17 1 +HETATM 59469 C C18 A LHG XH 32 . ? 6.494 -5.551 -1.956 0.40 63.81 ? 407 LHG d C18 1 +HETATM 59470 C C18 B LHG XH 32 . ? 6.607 -5.511 -1.994 0.60 63.94 ? 407 LHG d C18 1 +HETATM 59471 C C19 A LHG XH 32 . ? 5.175 -5.085 -2.547 0.40 61.00 ? 407 LHG d C19 1 +HETATM 59472 C C19 B LHG XH 32 . ? 5.265 -5.112 -2.580 0.60 60.88 ? 407 LHG d C19 1 +HETATM 59473 C C20 A LHG XH 32 . ? 5.205 -5.237 -4.061 0.40 57.95 ? 407 LHG d C20 1 +HETATM 59474 C C20 B LHG XH 32 . ? 5.241 -5.300 -4.088 0.60 57.91 ? 407 LHG d C20 1 +HETATM 59475 C C21 A LHG XH 32 . ? 3.810 -5.040 -4.628 0.40 66.50 ? 407 LHG d C21 1 +HETATM 59476 C C21 B LHG XH 32 . ? 3.898 -4.856 -4.649 0.60 66.41 ? 407 LHG d C21 1 +HETATM 59477 C C22 A LHG XH 32 . ? 3.800 -5.327 -6.114 0.40 68.91 ? 407 LHG d C22 1 +HETATM 59478 C C22 B LHG XH 32 . ? 3.782 -5.231 -6.111 0.60 69.04 ? 407 LHG d C22 1 +HETATM 59479 C C25 A LHG XH 32 . ? 8.751 -11.907 2.580 0.40 53.63 ? 407 LHG d C25 1 +HETATM 59480 C C25 B LHG XH 32 . ? 8.764 -11.856 2.482 0.60 53.60 ? 407 LHG d C25 1 +HETATM 59481 C C26 A LHG XH 32 . ? 7.633 -10.997 3.069 0.40 52.27 ? 407 LHG d C26 1 +HETATM 59482 C C26 B LHG XH 32 . ? 7.629 -11.036 3.076 0.60 52.29 ? 407 LHG d C26 1 +HETATM 59483 C C27 A LHG XH 32 . ? 6.440 -11.185 2.137 0.40 55.97 ? 407 LHG d C27 1 +HETATM 59484 C C27 B LHG XH 32 . ? 6.417 -11.179 2.165 0.60 56.12 ? 407 LHG d C27 1 +HETATM 59485 C C28 A LHG XH 32 . ? 5.150 -10.780 2.835 0.40 52.31 ? 407 LHG d C28 1 +HETATM 59486 C C28 B LHG XH 32 . ? 5.136 -10.805 2.893 0.60 52.26 ? 407 LHG d C28 1 +HETATM 59487 C C29 A LHG XH 32 . ? 5.120 -9.277 2.995 0.40 55.66 ? 407 LHG d C29 1 +HETATM 59488 C C29 B LHG XH 32 . ? 5.082 -9.308 3.100 0.60 55.57 ? 407 LHG d C29 1 +HETATM 59489 C C30 A LHG XH 32 . ? 3.849 -8.876 3.725 0.40 64.42 ? 407 LHG d C30 1 +HETATM 59490 C C30 B LHG XH 32 . ? 3.776 -8.939 3.779 0.60 64.50 ? 407 LHG d C30 1 +HETATM 59491 C C31 A LHG XH 32 . ? 2.608 -9.119 2.879 0.40 57.85 ? 407 LHG d C31 1 +HETATM 59492 C C31 B LHG XH 32 . ? 2.583 -9.157 2.859 0.60 57.81 ? 407 LHG d C31 1 +HETATM 59493 C C32 A LHG XH 32 . ? 1.422 -8.488 3.590 0.40 59.67 ? 407 LHG d C32 1 +HETATM 59494 C C32 B LHG XH 32 . ? 1.366 -8.534 3.519 0.60 59.70 ? 407 LHG d C32 1 +HETATM 59495 C C33 A LHG XH 32 . ? 0.137 -9.155 3.131 0.40 69.91 ? 407 LHG d C33 1 +HETATM 59496 C C33 B LHG XH 32 . ? 0.081 -9.154 3.003 0.60 70.03 ? 407 LHG d C33 1 +HETATM 59497 C C34 A LHG XH 32 . ? -1.035 -8.310 3.609 0.40 71.01 ? 407 LHG d C34 1 +HETATM 59498 C C34 B LHG XH 32 . ? -1.089 -8.308 3.489 0.60 71.39 ? 407 LHG d C34 1 +HETATM 59499 C C35 A LHG XH 32 . ? -1.230 -8.512 5.098 0.40 70.66 ? 407 LHG d C35 1 +HETATM 59500 C C35 B LHG XH 32 . ? -1.171 -8.329 5.005 0.60 70.36 ? 407 LHG d C35 1 +HETATM 59501 C C36 A LHG XH 32 . ? -2.413 -7.686 5.580 0.40 72.94 ? 407 LHG d C36 1 +HETATM 59502 C C36 B LHG XH 32 . ? -2.406 -7.583 5.492 0.60 72.93 ? 407 LHG d C36 1 +HETATM 59503 C C37 A LHG XH 32 . ? -3.392 -8.563 6.343 0.40 70.33 ? 407 LHG d C37 1 +HETATM 59504 C C37 B LHG XH 32 . ? -3.389 -8.539 6.151 0.60 70.73 ? 407 LHG d C37 1 +HETATM 59505 C C38 A LHG XH 32 . ? -4.547 -7.686 6.753 0.40 69.27 ? 407 LHG d C38 1 +HETATM 59506 C C38 B LHG XH 32 . ? -4.557 -7.764 6.709 0.60 69.34 ? 407 LHG d C38 1 +HETATM 59507 O O1 A LHG YH 32 . ? 2.992 9.304 31.820 0.40 63.69 ? 408 LHG d O1 1 +HETATM 59508 O O1 B LHG YH 32 . ? 3.015 9.251 31.778 0.60 63.79 ? 408 LHG d O1 1 +HETATM 59509 C C1 A LHG YH 32 . ? 1.874 9.735 31.023 0.40 64.08 ? 408 LHG d C1 1 +HETATM 59510 C C1 B LHG YH 32 . ? 1.909 9.733 31.000 0.60 64.17 ? 408 LHG d C1 1 +HETATM 59511 C C2 A LHG YH 32 . ? 1.631 8.795 29.831 0.40 57.83 ? 408 LHG d C2 1 +HETATM 59512 C C2 B LHG YH 32 . ? 1.626 8.822 29.796 0.60 57.71 ? 408 LHG d C2 1 +HETATM 59513 O O2 A LHG YH 32 . ? 1.432 7.448 30.276 0.40 59.14 ? 408 LHG d O2 1 +HETATM 59514 O O2 B LHG YH 32 . ? 1.312 7.488 30.217 0.60 59.23 ? 408 LHG d O2 1 +HETATM 59515 C C3 A LHG YH 32 . ? 2.779 8.800 28.817 0.40 59.61 ? 408 LHG d C3 1 +HETATM 59516 C C3 B LHG YH 32 . ? 2.785 8.773 28.796 0.60 59.66 ? 408 LHG d C3 1 +HETATM 59517 O O3 A LHG YH 32 . ? 3.975 8.236 29.363 0.40 56.96 ? 408 LHG d O3 1 +HETATM 59518 O O3 B LHG YH 32 . ? 3.979 8.218 29.346 0.60 56.87 ? 408 LHG d O3 1 +HETATM 59519 P P A LHG YH 32 . ? 4.382 6.690 29.183 0.40 61.02 ? 408 LHG d P 1 +HETATM 59520 P P B LHG YH 32 . ? 4.359 6.658 29.157 0.60 61.22 ? 408 LHG d P 1 +HETATM 59521 O O4 A LHG YH 32 . ? 5.692 6.447 29.885 0.40 52.71 ? 408 LHG d O4 1 +HETATM 59522 O O4 B LHG YH 32 . ? 5.657 6.372 29.867 0.60 52.53 ? 408 LHG d O4 1 +HETATM 59523 O O5 A LHG YH 32 . ? 3.175 5.816 29.462 0.40 53.63 ? 408 LHG d O5 1 +HETATM 59524 O O5 B LHG YH 32 . ? 3.106 5.853 29.454 0.60 53.41 ? 408 LHG d O5 1 +HETATM 59525 O O6 A LHG YH 32 . ? 4.715 6.628 27.602 0.40 62.63 ? 408 LHG d O6 1 +HETATM 59526 O O6 B LHG YH 32 . ? 4.673 6.563 27.570 0.60 62.70 ? 408 LHG d O6 1 +HETATM 59527 C C4 A LHG YH 32 . ? 6.011 6.920 27.073 0.40 58.02 ? 408 LHG d C4 1 +HETATM 59528 C C4 B LHG YH 32 . ? 5.965 6.879 27.043 0.60 58.00 ? 408 LHG d C4 1 +HETATM 59529 C C5 A LHG YH 32 . ? 5.810 7.488 25.672 0.40 61.21 ? 408 LHG d C5 1 +HETATM 59530 C C5 B LHG YH 32 . ? 5.795 7.477 25.652 0.60 61.25 ? 408 LHG d C5 1 +HETATM 59531 C C6 A LHG YH 32 . ? 5.193 6.406 24.802 0.40 61.24 ? 408 LHG d C6 1 +HETATM 59532 C C6 B LHG YH 32 . ? 5.247 6.393 24.740 0.60 61.40 ? 408 LHG d C6 1 +HETATM 59533 O O7 A LHG YH 32 . ? 4.865 8.556 25.710 0.40 63.47 ? 408 LHG d O7 1 +HETATM 59534 O O7 B LHG YH 32 . ? 4.831 8.528 25.697 0.60 63.71 ? 408 LHG d O7 1 +HETATM 59535 C C7 A LHG YH 32 . ? 5.440 9.863 25.909 0.40 53.41 ? 408 LHG d C7 1 +HETATM 59536 C C7 B LHG YH 32 . ? 5.400 9.843 25.885 0.60 53.13 ? 408 LHG d C7 1 +HETATM 59537 O O9 A LHG YH 32 . ? 6.636 9.977 26.095 0.40 62.47 ? 408 LHG d O9 1 +HETATM 59538 O O9 B LHG YH 32 . ? 6.601 9.948 26.061 0.60 62.55 ? 408 LHG d O9 1 +HETATM 59539 C C8 A LHG YH 32 . ? 4.538 11.063 25.844 0.40 60.39 ? 408 LHG d C8 1 +HETATM 59540 C C8 B LHG YH 32 . ? 4.495 11.050 25.838 0.60 60.32 ? 408 LHG d C8 1 +HETATM 59541 C C9 A LHG YH 32 . ? 5.366 12.320 26.074 0.40 64.37 ? 408 LHG d C9 1 +HETATM 59542 C C9 B LHG YH 32 . ? 5.309 12.304 26.131 0.60 64.25 ? 408 LHG d C9 1 +HETATM 59543 C C10 A LHG YH 32 . ? 4.557 13.575 25.769 0.40 74.57 ? 408 LHG d C10 1 +HETATM 59544 C C10 B LHG YH 32 . ? 4.558 13.575 25.746 0.60 74.52 ? 408 LHG d C10 1 +HETATM 59545 O O8 A LHG YH 32 . ? 4.957 6.962 23.510 0.40 61.46 ? 408 LHG d O8 1 +HETATM 59546 O O8 B LHG YH 32 . ? 4.974 6.929 23.445 0.60 61.42 ? 408 LHG d O8 1 +HETATM 59547 C C23 A LHG YH 32 . ? 4.674 6.047 22.415 0.40 60.69 ? 408 LHG d C23 1 +HETATM 59548 C C23 B LHG YH 32 . ? 4.674 5.989 22.378 0.60 60.79 ? 408 LHG d C23 1 +HETATM 59549 O O10 A LHG YH 32 . ? 4.137 4.980 22.686 0.40 57.45 ? 408 LHG d O10 1 +HETATM 59550 O O10 B LHG YH 32 . ? 4.127 4.926 22.673 0.60 57.41 ? 408 LHG d O10 1 +HETATM 59551 C C24 A LHG YH 32 . ? 5.027 6.423 20.987 0.40 60.99 ? 408 LHG d C24 1 +HETATM 59552 C C24 B LHG YH 32 . ? 5.021 6.334 20.941 0.60 60.96 ? 408 LHG d C24 1 +HETATM 59553 C C11 A LHG YH 32 . ? 5.170 14.742 26.529 0.40 89.07 ? 408 LHG d C11 1 +HETATM 59554 C C11 B LHG YH 32 . ? 5.140 14.745 26.531 0.60 89.23 ? 408 LHG d C11 1 +HETATM 59555 C C12 A LHG YH 32 . ? 5.162 16.044 25.737 0.40 92.65 ? 408 LHG d C12 1 +HETATM 59556 C C12 B LHG YH 32 . ? 5.173 16.046 25.734 0.60 92.64 ? 408 LHG d C12 1 +HETATM 59557 C C13 A LHG YH 32 . ? 5.860 15.858 24.393 0.40 108.93 ? 408 LHG d C13 1 +HETATM 59558 C C13 B LHG YH 32 . ? 5.861 15.858 24.385 0.60 109.20 ? 408 LHG d C13 1 +HETATM 59559 C C14 A LHG YH 32 . ? 6.168 17.206 23.750 0.40 108.47 ? 408 LHG d C14 1 +HETATM 59560 C C14 B LHG YH 32 . ? 6.189 17.210 23.757 0.60 108.61 ? 408 LHG d C14 1 +HETATM 59561 C C15 A LHG YH 32 . ? 6.564 17.081 22.278 0.40 112.22 ? 408 LHG d C15 1 +HETATM 59562 C C15 B LHG YH 32 . ? 6.613 17.088 22.294 0.60 112.38 ? 408 LHG d C15 1 +HETATM 59563 C C16 A LHG YH 32 . ? 6.915 18.463 21.737 0.40 109.33 ? 408 LHG d C16 1 +HETATM 59564 C C16 B LHG YH 32 . ? 6.937 18.474 21.745 0.60 109.35 ? 408 LHG d C16 1 +HETATM 59565 C C17 A LHG YH 32 . ? 7.171 18.465 20.234 0.40 115.27 ? 408 LHG d C17 1 +HETATM 59566 C C17 B LHG YH 32 . ? 7.160 18.474 20.237 0.60 115.38 ? 408 LHG d C17 1 +HETATM 59567 C C18 A LHG YH 32 . ? 7.407 19.895 19.755 0.40 117.34 ? 408 LHG d C18 1 +HETATM 59568 C C18 B LHG YH 32 . ? 7.373 19.904 19.750 0.60 117.40 ? 408 LHG d C18 1 +HETATM 59569 C C19 A LHG YH 32 . ? 7.761 19.959 18.274 0.40 121.21 ? 408 LHG d C19 1 +HETATM 59570 C C19 B LHG YH 32 . ? 7.688 19.962 18.259 0.60 121.35 ? 408 LHG d C19 1 +HETATM 59571 C C20 A LHG YH 32 . ? 7.898 21.412 17.820 0.40 134.12 ? 408 LHG d C20 1 +HETATM 59572 C C20 B LHG YH 32 . ? 7.835 21.410 17.797 0.60 134.38 ? 408 LHG d C20 1 +HETATM 59573 C C21 A LHG YH 32 . ? 7.972 21.530 16.299 0.40 121.52 ? 408 LHG d C21 1 +HETATM 59574 C C21 B LHG YH 32 . ? 7.916 21.513 16.276 0.60 121.61 ? 408 LHG d C21 1 +HETATM 59575 C C22 A LHG YH 32 . ? 9.283 20.983 15.776 0.40 112.18 ? 408 LHG d C22 1 +HETATM 59576 C C22 B LHG YH 32 . ? 9.260 21.040 15.765 0.60 112.23 ? 408 LHG d C22 1 +HETATM 59577 C C25 A LHG YH 32 . ? 3.758 6.469 20.137 0.40 63.23 ? 408 LHG d C25 1 +HETATM 59578 C C25 B LHG YH 32 . ? 3.741 6.446 20.117 0.60 63.30 ? 408 LHG d C25 1 +HETATM 59579 C C26 A LHG YH 32 . ? 4.024 6.981 18.724 0.40 63.17 ? 408 LHG d C26 1 +HETATM 59580 C C26 B LHG YH 32 . ? 4.021 6.979 18.716 0.60 63.20 ? 408 LHG d C26 1 +HETATM 59581 C C27 A LHG YH 32 . ? 4.681 8.368 18.748 0.40 65.16 ? 408 LHG d C27 1 +HETATM 59582 C C27 B LHG YH 32 . ? 4.685 8.358 18.753 0.60 65.24 ? 408 LHG d C27 1 +HETATM 59583 C C28 A LHG YH 32 . ? 3.657 9.484 18.650 0.40 66.45 ? 408 LHG d C28 1 +HETATM 59584 C C28 B LHG YH 32 . ? 3.666 9.484 18.675 0.60 66.49 ? 408 LHG d C28 1 +HETATM 59585 C C29 A LHG YH 32 . ? 4.271 10.808 19.096 0.40 69.75 ? 408 LHG d C29 1 +HETATM 59586 C C29 B LHG YH 32 . ? 4.300 10.815 19.064 0.60 69.76 ? 408 LHG d C29 1 +HETATM 59587 C C30 A LHG YH 32 . ? 3.387 11.457 20.150 0.40 80.61 ? 408 LHG d C30 1 +HETATM 59588 C C30 B LHG YH 32 . ? 3.473 11.484 20.153 0.60 80.73 ? 408 LHG d C30 1 +HETATM 59589 C C31 A LHG YH 32 . ? 4.224 12.117 21.239 0.40 83.12 ? 408 LHG d C31 1 +HETATM 59590 C C31 B LHG YH 32 . ? 4.367 12.154 21.188 0.60 83.31 ? 408 LHG d C31 1 +HETATM 59591 C C32 A LHG YH 32 . ? 4.518 13.574 20.906 0.40 84.52 ? 408 LHG d C32 1 +HETATM 59592 C C32 B LHG YH 32 . ? 4.582 13.626 20.858 0.60 84.51 ? 408 LHG d C32 1 +HETATM 59593 C C33 A LHG YH 32 . ? 3.205 14.304 20.676 0.40 81.70 ? 408 LHG d C33 1 +HETATM 59594 C C33 B LHG YH 32 . ? 3.234 14.314 20.714 0.60 81.57 ? 408 LHG d C33 1 +HETATM 59595 C C34 A LHG YH 32 . ? 3.435 15.764 20.314 0.40 98.76 ? 408 LHG d C34 1 +HETATM 59596 C C34 B LHG YH 32 . ? 3.407 15.786 20.372 0.60 98.87 ? 408 LHG d C34 1 +HETATM 59597 C C35 A LHG YH 32 . ? 2.245 16.568 20.816 0.40 108.13 ? 408 LHG d C35 1 +HETATM 59598 C C35 B LHG YH 32 . ? 2.191 16.556 20.864 0.60 108.35 ? 408 LHG d C35 1 +HETATM 59599 C C36 A LHG YH 32 . ? 1.944 16.254 22.285 0.40 100.69 ? 408 LHG d C36 1 +HETATM 59600 C C36 B LHG YH 32 . ? 1.901 16.253 22.335 0.60 100.83 ? 408 LHG d C36 1 +HETATM 59601 C C37 A LHG YH 32 . ? 2.676 17.203 23.231 0.40 105.11 ? 408 LHG d C37 1 +HETATM 59602 C C37 B LHG YH 32 . ? 2.672 17.185 23.267 0.60 105.24 ? 408 LHG d C37 1 +HETATM 59603 C C38 A LHG YH 32 . ? 2.147 17.135 24.652 0.40 102.92 ? 408 LHG d C38 1 +HETATM 59604 C C38 B LHG YH 32 . ? 2.130 17.158 24.684 0.60 103.02 ? 408 LHG d C38 1 +HETATM 59605 C C23 . UNL ZH 30 . ? 41.789 3.541 12.365 1.00 96.45 ? 409 UNL d C23 1 +HETATM 59606 C C24 . UNL ZH 30 . ? 41.711 5.006 11.984 1.00 84.67 ? 409 UNL d C24 1 +HETATM 59607 C C25 . UNL ZH 30 . ? 42.980 5.710 12.429 1.00 79.94 ? 409 UNL d C25 1 +HETATM 59608 C C26 . UNL ZH 30 . ? 42.856 7.221 12.311 1.00 78.04 ? 409 UNL d C26 1 +HETATM 59609 C C27 . UNL ZH 30 . ? 43.762 7.737 11.201 1.00 72.05 ? 409 UNL d C27 1 +HETATM 59610 C C28 . UNL ZH 30 . ? 43.661 9.253 11.135 1.00 70.43 ? 409 UNL d C28 1 +HETATM 59611 C C29 . UNL ZH 30 . ? 44.621 9.839 10.105 1.00 75.11 ? 409 UNL d C29 1 +HETATM 59612 C C30 . UNL ZH 30 . ? 44.646 11.349 10.275 1.00 69.47 ? 409 UNL d C30 1 +HETATM 59613 C C31 . UNL ZH 30 . ? 45.485 12.046 9.213 1.00 81.65 ? 409 UNL d C31 1 +HETATM 59614 C C32 . UNL ZH 30 . ? 45.446 13.560 9.408 1.00 78.91 ? 409 UNL d C32 1 +HETATM 59615 C C33 . UNL ZH 30 . ? 45.861 14.267 8.117 1.00 102.01 ? 409 UNL d C33 1 +HETATM 59616 C C34 . UNL ZH 30 . ? 46.353 15.690 8.354 1.00 75.77 ? 409 UNL d C34 1 +HETATM 59617 C C35 . UNL ZH 30 . ? 46.566 16.427 7.035 1.00 109.97 ? 409 UNL d C35 1 +HETATM 59618 C C36 . UNL ZH 30 . ? 47.870 16.000 6.362 1.00 116.42 ? 409 UNL d C36 1 +HETATM 59619 C C37 . UNL ZH 30 . ? 48.067 16.730 5.030 1.00 114.72 ? 409 UNL d C37 1 +HETATM 59620 C C38 . UNL ZH 30 . ? 49.475 16.584 4.478 1.00 92.14 ? 409 UNL d C38 1 +HETATM 59621 O O10 . UNL ZH 30 . ? 41.831 3.195 13.540 1.00 93.40 ? 409 UNL d O10 1 +HETATM 59622 C C10 . UNL AI 30 . ? 48.095 4.814 15.220 1.00 111.81 ? 410 UNL d C10 1 +HETATM 59623 C C11 . UNL AI 30 . ? 47.585 6.171 14.749 1.00 91.08 ? 410 UNL d C11 1 +HETATM 59624 C C12 . UNL AI 30 . ? 47.897 6.429 13.283 1.00 76.43 ? 410 UNL d C12 1 +HETATM 59625 C C13 . UNL AI 30 . ? 47.888 7.933 13.001 1.00 71.84 ? 410 UNL d C13 1 +HETATM 59626 C C14 . UNL AI 30 . ? 49.013 8.336 12.048 1.00 77.04 ? 410 UNL d C14 1 +HETATM 59627 C C15 . UNL AI 30 . ? 48.923 9.811 11.657 1.00 92.11 ? 410 UNL d C15 1 +HETATM 59628 C C16 . UNL AI 30 . ? 50.165 10.328 10.931 1.00 79.62 ? 410 UNL d C16 1 +HETATM 59629 C C17 . UNL AI 30 . ? 49.929 11.755 10.438 1.00 93.74 ? 410 UNL d C17 1 +HETATM 59630 C C18 . UNL AI 30 . ? 51.192 12.421 9.899 1.00 93.39 ? 410 UNL d C18 1 +HETATM 59631 C C23 . UNL AI 30 . ? 45.774 2.409 12.556 1.00 110.75 ? 410 UNL d C23 1 +HETATM 59632 C C24 . UNL AI 30 . ? 46.868 1.946 11.639 1.00 91.14 ? 410 UNL d C24 1 +HETATM 59633 C C25 . UNL AI 30 . ? 46.490 2.486 10.272 1.00 80.39 ? 410 UNL d C25 1 +HETATM 59634 C C26 . UNL AI 30 . ? 47.525 3.490 9.801 1.00 78.08 ? 410 UNL d C26 1 +HETATM 59635 C C27 . UNL AI 30 . ? 46.863 4.768 9.299 1.00 76.15 ? 410 UNL d C27 1 +HETATM 59636 C C28 . UNL AI 30 . ? 47.855 5.539 8.441 1.00 73.19 ? 410 UNL d C28 1 +HETATM 59637 C C29 . UNL AI 30 . ? 47.333 6.911 8.034 1.00 65.99 ? 410 UNL d C29 1 +HETATM 59638 C C30 . UNL AI 30 . ? 48.428 7.634 7.259 1.00 80.64 ? 410 UNL d C30 1 +HETATM 59639 C C31 . UNL AI 30 . ? 47.969 9.007 6.790 1.00 81.60 ? 410 UNL d C31 1 +HETATM 59640 C C32 . UNL AI 30 . ? 49.096 9.693 6.032 1.00 89.76 ? 410 UNL d C32 1 +HETATM 59641 C C33 . UNL AI 30 . ? 48.773 11.138 5.660 1.00 86.05 ? 410 UNL d C33 1 +HETATM 59642 C C34 . UNL AI 30 . ? 50.057 11.804 5.166 1.00 114.44 ? 410 UNL d C34 1 +HETATM 59643 C C35 . UNL AI 30 . ? 49.826 13.008 4.255 1.00 107.03 ? 410 UNL d C35 1 +HETATM 59644 C C36 . UNL AI 30 . ? 50.893 13.063 3.160 1.00 102.70 ? 410 UNL d C36 1 +HETATM 59645 C C37 . UNL AI 30 . ? 52.303 12.877 3.724 1.00 113.01 ? 410 UNL d C37 1 +HETATM 59646 C C38 . UNL AI 30 . ? 52.872 14.158 4.307 1.00 107.50 ? 410 UNL d C38 1 +HETATM 59647 C C4 . UNL AI 30 . ? 45.625 -0.297 16.563 1.00 112.09 ? 410 UNL d C4 1 +HETATM 59648 C C5 . UNL AI 30 . ? 46.422 0.791 15.842 1.00 136.41 ? 410 UNL d C5 1 +HETATM 59649 C C6 . UNL AI 30 . ? 46.234 0.647 14.332 1.00 116.71 ? 410 UNL d C6 1 +HETATM 59650 C C7 . UNL AI 30 . ? 46.700 2.644 17.409 1.00 146.18 ? 410 UNL d C7 1 +HETATM 59651 C C8 . UNL AI 30 . ? 48.067 3.299 17.269 1.00 135.03 ? 410 UNL d C8 1 +HETATM 59652 C C9 . UNL AI 30 . ? 48.035 4.736 16.741 1.00 107.41 ? 410 UNL d C9 1 +HETATM 59653 O O10 . UNL AI 30 . ? 45.026 3.292 12.165 1.00 109.62 ? 410 UNL d O10 1 +HETATM 59654 O O6 . UNL AI 30 . ? 46.391 -1.504 16.594 1.00 110.49 ? 410 UNL d O6 1 +HETATM 59655 O O7 . UNL AI 30 . ? 46.010 2.118 16.226 1.00 136.31 ? 410 UNL d O7 1 +HETATM 59656 O O8 . UNL AI 30 . ? 45.593 1.845 13.888 1.00 131.48 ? 410 UNL d O8 1 +HETATM 59657 O O9 . UNL AI 30 . ? 46.163 2.560 18.512 1.00 135.70 ? 410 UNL d O9 1 +HETATM 59658 C C1 . HTG BI 34 . ? 60.506 8.187 14.402 1.00 112.12 ? 411 HTG d C1 1 +HETATM 59659 S S1 . HTG BI 34 . ? 59.591 8.757 12.988 1.00 129.62 ? 411 HTG d S1 1 +HETATM 59660 C C2 . HTG BI 34 . ? 62.012 8.435 14.282 1.00 120.65 ? 411 HTG d C2 1 +HETATM 59661 O O2 . HTG BI 34 . ? 62.544 7.909 13.064 1.00 133.37 ? 411 HTG d O2 1 +HETATM 59662 C C3 . HTG BI 34 . ? 62.688 7.750 15.460 1.00 132.98 ? 411 HTG d C3 1 +HETATM 59663 O O3 . HTG BI 34 . ? 64.114 7.818 15.356 1.00 154.20 ? 411 HTG d O3 1 +HETATM 59664 C C4 . HTG BI 34 . ? 62.207 8.427 16.733 1.00 130.79 ? 411 HTG d C4 1 +HETATM 59665 O O4 . HTG BI 34 . ? 62.820 7.786 17.862 1.00 126.73 ? 411 HTG d O4 1 +HETATM 59666 C C5 . HTG BI 34 . ? 60.679 8.328 16.818 1.00 140.12 ? 411 HTG d C5 1 +HETATM 59667 O O5 . HTG BI 34 . ? 60.030 8.791 15.613 1.00 122.95 ? 411 HTG d O5 1 +HETATM 59668 C C6 . HTG BI 34 . ? 60.156 9.100 18.032 1.00 126.49 ? 411 HTG d C6 1 +HETATM 59669 O O6 . HTG BI 34 . ? 58.765 8.811 18.260 1.00 89.54 ? 411 HTG d O6 1 +HETATM 59670 C "C1'" . HTG BI 34 . ? 57.851 8.670 13.296 1.00 106.69 ? 411 HTG d "C1'" 1 +HETATM 59671 C "C2'" . HTG BI 34 . ? 57.051 8.928 12.019 1.00 90.00 ? 411 HTG d "C2'" 1 +HETATM 59672 C "C3'" . HTG BI 34 . ? 56.567 10.370 11.934 1.00 101.37 ? 411 HTG d "C3'" 1 +HETATM 59673 C "C4'" . HTG BI 34 . ? 56.022 10.698 10.550 1.00 91.18 ? 411 HTG d "C4'" 1 +HETATM 59674 C C1 . LMG CI 33 . ? 16.508 39.053 7.394 1.00 64.06 ? 412 LMG d C1 1 +HETATM 59675 O O1 . LMG CI 33 . ? 16.379 38.497 8.695 1.00 62.93 ? 412 LMG d O1 1 +HETATM 59676 C C2 . LMG CI 33 . ? 15.125 39.479 6.921 1.00 64.01 ? 412 LMG d C2 1 +HETATM 59677 O O2 . LMG CI 33 . ? 14.337 38.305 6.694 1.00 65.67 ? 412 LMG d O2 1 +HETATM 59678 C C3 . LMG CI 33 . ? 15.193 40.276 5.632 1.00 64.38 ? 412 LMG d C3 1 +HETATM 59679 O O3 . LMG CI 33 . ? 13.870 40.748 5.331 1.00 62.53 ? 412 LMG d O3 1 +HETATM 59680 C C4 . LMG CI 33 . ? 16.203 41.424 5.765 1.00 62.30 ? 412 LMG d C4 1 +HETATM 59681 O O4 . LMG CI 33 . ? 15.698 42.404 6.680 1.00 62.40 ? 412 LMG d O4 1 +HETATM 59682 C C5 . LMG CI 33 . ? 17.554 40.893 6.255 1.00 60.07 ? 412 LMG d C5 1 +HETATM 59683 O O5 . LMG CI 33 . ? 18.805 42.755 5.371 1.00 62.64 ? 412 LMG d O5 1 +HETATM 59684 C C6 . LMG CI 33 . ? 18.574 41.977 6.545 1.00 58.67 ? 412 LMG d C6 1 +HETATM 59685 O O6 . LMG CI 33 . ? 17.426 40.138 7.459 1.00 57.25 ? 412 LMG d O6 1 +HETATM 59686 C C7 . LMG CI 33 . ? 17.632 37.962 9.118 1.00 62.93 ? 412 LMG d C7 1 +HETATM 59687 C C8 . LMG CI 33 . ? 17.528 36.444 9.223 1.00 54.96 ? 412 LMG d C8 1 +HETATM 59688 C C9 . LMG CI 33 . ? 18.843 35.905 9.767 1.00 58.32 ? 412 LMG d C9 1 +HETATM 59689 O O7 . LMG CI 33 . ? 16.486 36.054 10.121 1.00 66.28 ? 412 LMG d O7 1 +HETATM 59690 C C10 . LMG CI 33 . ? 15.435 35.277 9.503 1.00 58.71 ? 412 LMG d C10 1 +HETATM 59691 O O9 . LMG CI 33 . ? 15.626 34.842 8.389 1.00 60.94 ? 412 LMG d O9 1 +HETATM 59692 C C11 . LMG CI 33 . ? 14.136 34.998 10.204 1.00 56.76 ? 412 LMG d C11 1 +HETATM 59693 C C12 . LMG CI 33 . ? 14.340 34.021 11.347 1.00 72.68 ? 412 LMG d C12 1 +HETATM 59694 C C13 . LMG CI 33 . ? 15.354 32.937 11.015 1.00 82.48 ? 412 LMG d C13 1 +HETATM 59695 C C14 . LMG CI 33 . ? 15.016 31.658 11.778 1.00 96.81 ? 412 LMG d C14 1 +HETATM 59696 C C15 . LMG CI 33 . ? 16.057 30.590 11.472 1.00 81.98 ? 412 LMG d C15 1 +HETATM 59697 C C16 . LMG CI 33 . ? 15.577 29.197 11.841 1.00 68.18 ? 412 LMG d C16 1 +HETATM 59698 C C17 . LMG CI 33 . ? 16.760 28.265 11.623 1.00 101.29 ? 412 LMG d C17 1 +HETATM 59699 C C18 . LMG CI 33 . ? 16.442 26.781 11.790 1.00 99.80 ? 412 LMG d C18 1 +HETATM 59700 C C19 . LMG CI 33 . ? 17.462 26.018 10.953 1.00 94.42 ? 412 LMG d C19 1 +HETATM 59701 C C20 . LMG CI 33 . ? 17.449 24.519 11.198 1.00 98.12 ? 412 LMG d C20 1 +HETATM 59702 C C21 . LMG CI 33 . ? 18.846 23.969 10.931 1.00 98.54 ? 412 LMG d C21 1 +HETATM 59703 C C22 . LMG CI 33 . ? 19.873 24.799 11.699 1.00 124.20 ? 412 LMG d C22 1 +HETATM 59704 C C23 . LMG CI 33 . ? 19.761 24.580 13.213 1.00 155.77 ? 412 LMG d C23 1 +HETATM 59705 C C24 . LMG CI 33 . ? 20.671 25.533 13.990 1.00 137.98 ? 412 LMG d C24 1 +HETATM 59706 C C25 . LMG CI 33 . ? 20.599 25.315 15.489 1.00 116.46 ? 412 LMG d C25 1 +HETATM 59707 O O8 . LMG CI 33 . ? 18.551 34.569 10.145 1.00 65.22 ? 412 LMG d O8 1 +HETATM 59708 C C28 . LMG CI 33 . ? 19.580 33.699 10.665 1.00 79.22 ? 412 LMG d C28 1 +HETATM 59709 O O10 . LMG CI 33 . ? 20.649 34.189 10.982 1.00 63.15 ? 412 LMG d O10 1 +HETATM 59710 C C29 . LMG CI 33 . ? 19.286 32.216 10.797 1.00 71.62 ? 412 LMG d C29 1 +HETATM 59711 C C30 . LMG CI 33 . ? 20.575 31.421 10.991 1.00 68.94 ? 412 LMG d C30 1 +HETATM 59712 C C31 . LMG CI 33 . ? 20.364 29.973 10.556 1.00 81.54 ? 412 LMG d C31 1 +HETATM 59713 C C32 . LMG CI 33 . ? 20.844 28.989 11.606 1.00 80.71 ? 412 LMG d C32 1 +HETATM 59714 C C33 . LMG CI 33 . ? 22.348 29.094 11.785 1.00 80.27 ? 412 LMG d C33 1 +HETATM 59715 C C34 . LMG CI 33 . ? 22.754 28.093 12.856 1.00 77.30 ? 412 LMG d C34 1 +HETATM 59716 C C35 . LMG CI 33 . ? 24.264 28.026 13.057 1.00 97.42 ? 412 LMG d C35 1 +HETATM 59717 C C36 . LMG CI 33 . ? 24.601 27.052 14.184 1.00 121.34 ? 412 LMG d C36 1 +HETATM 59718 C C37 . LMG CI 33 . ? 26.020 27.250 14.707 1.00 115.59 ? 412 LMG d C37 1 +HETATM 59719 C C38 . LMG CI 33 . ? 26.062 28.235 15.873 1.00 87.88 ? 412 LMG d C38 1 +HETATM 59720 C C39 . LMG CI 33 . ? 25.157 27.813 17.029 1.00 107.08 ? 412 LMG d C39 1 +HETATM 59721 C C40 . LMG CI 33 . ? 25.468 28.579 18.317 1.00 99.88 ? 412 LMG d C40 1 +HETATM 59722 C C41 . LMG CI 33 . ? 26.650 27.949 19.053 1.00 126.20 ? 412 LMG d C41 1 +HETATM 59723 C C42 . LMG CI 33 . ? 26.859 28.559 20.439 1.00 106.21 ? 412 LMG d C42 1 +HETATM 59724 C C43 . LMG CI 33 . ? 27.466 27.542 21.388 1.00 94.35 ? 412 LMG d C43 1 +HETATM 59725 C C1 . GOL DI 27 . ? 12.632 23.788 -23.793 1.00 67.01 ? 413 GOL d C1 1 +HETATM 59726 O O1 . GOL DI 27 . ? 13.509 22.683 -23.750 1.00 55.99 ? 413 GOL d O1 1 +HETATM 59727 C C2 . GOL DI 27 . ? 11.200 23.297 -24.171 1.00 75.37 ? 413 GOL d C2 1 +HETATM 59728 O O2 . GOL DI 27 . ? 10.210 24.072 -23.620 1.00 75.65 ? 413 GOL d O2 1 +HETATM 59729 C C3 . GOL DI 27 . ? 11.121 23.366 -25.714 1.00 91.99 ? 413 GOL d C3 1 +HETATM 59730 O O3 . GOL DI 27 . ? 10.137 22.414 -26.045 1.00 76.30 ? 413 GOL d O3 1 +HETATM 59731 O O1 A LHG EI 32 . ? 22.305 -10.002 7.875 0.40 78.85 ? 414 LHG d O1 1 +HETATM 59732 O O1 B LHG EI 32 . ? 22.274 -10.316 7.821 0.60 81.28 ? 414 LHG d O1 1 +HETATM 59733 C C1 A LHG EI 32 . ? 23.721 -10.136 7.714 0.40 71.78 ? 414 LHG d C1 1 +HETATM 59734 C C1 B LHG EI 32 . ? 23.698 -10.200 7.725 0.60 71.97 ? 414 LHG d C1 1 +HETATM 59735 C C2 A LHG EI 32 . ? 24.198 -10.267 9.138 0.40 75.48 ? 414 LHG d C2 1 +HETATM 59736 C C2 B LHG EI 32 . ? 24.251 -10.289 9.135 0.60 75.72 ? 414 LHG d C2 1 +HETATM 59737 O O2 A LHG EI 32 . ? 23.619 -9.142 9.805 0.40 81.02 ? 414 LHG d O2 1 +HETATM 59738 O O2 B LHG EI 32 . ? 23.821 -9.114 9.831 0.60 82.73 ? 414 LHG d O2 1 +HETATM 59739 C C3 A LHG EI 32 . ? 25.722 -10.280 9.246 0.40 77.06 ? 414 LHG d C3 1 +HETATM 59740 C C3 B LHG EI 32 . ? 25.778 -10.386 9.120 0.60 77.30 ? 414 LHG d C3 1 +HETATM 59741 O O3 A LHG EI 32 . ? 26.331 -9.461 8.253 0.40 61.94 ? 414 LHG d O3 1 +HETATM 59742 O O3 B LHG EI 32 . ? 26.353 -9.446 8.217 0.60 61.92 ? 414 LHG d O3 1 +HETATM 59743 P P A LHG EI 32 . ? 27.863 -8.936 8.354 0.40 59.50 ? 414 LHG d P 1 +HETATM 59744 P P B LHG EI 32 . ? 27.905 -8.984 8.295 0.60 59.28 ? 414 LHG d P 1 +HETATM 59745 O O4 A LHG EI 32 . ? 28.039 -8.182 9.639 0.40 63.68 ? 414 LHG d O4 1 +HETATM 59746 O O4 B LHG EI 32 . ? 28.160 -8.267 9.592 0.60 63.38 ? 414 LHG d O4 1 +HETATM 59747 O O5 A LHG EI 32 . ? 28.832 -9.995 7.970 0.40 57.07 ? 414 LHG d O5 1 +HETATM 59748 O O5 B LHG EI 32 . ? 28.813 -10.108 7.906 0.60 57.21 ? 414 LHG d O5 1 +HETATM 59749 O O6 A LHG EI 32 . ? 27.827 -7.815 7.195 0.40 65.30 ? 414 LHG d O6 1 +HETATM 59750 O O6 B LHG EI 32 . ? 27.872 -7.847 7.152 0.60 65.40 ? 414 LHG d O6 1 +HETATM 59751 C C4 A LHG EI 32 . ? 27.803 -8.200 5.828 0.40 60.98 ? 414 LHG d C4 1 +HETATM 59752 C C4 B LHG EI 32 . ? 27.890 -8.182 5.769 0.60 60.98 ? 414 LHG d C4 1 +HETATM 59753 C C5 A LHG EI 32 . ? 26.974 -7.198 5.030 0.40 63.53 ? 414 LHG d C5 1 +HETATM 59754 C C5 B LHG EI 32 . ? 26.998 -7.204 5.009 0.60 63.54 ? 414 LHG d C5 1 +HETATM 59755 C C6 A LHG EI 32 . ? 27.482 -5.789 5.253 0.40 61.74 ? 414 LHG d C6 1 +HETATM 59756 C C6 B LHG EI 32 . ? 27.380 -5.775 5.356 0.60 61.96 ? 414 LHG d C6 1 +HETATM 59757 O O7 A LHG EI 32 . ? 27.164 -7.447 3.650 0.40 65.06 ? 414 LHG d O7 1 +HETATM 59758 O O7 B LHG EI 32 . ? 27.200 -7.373 3.615 0.60 65.28 ? 414 LHG d O7 1 +HETATM 59759 C C7 A LHG EI 32 . ? 26.096 -8.212 3.067 0.40 66.73 ? 414 LHG d C7 1 +HETATM 59760 C C7 B LHG EI 32 . ? 26.193 -8.213 3.015 0.60 66.82 ? 414 LHG d C7 1 +HETATM 59761 O O9 A LHG EI 32 . ? 25.073 -8.350 3.706 0.40 73.38 ? 414 LHG d O9 1 +HETATM 59762 O O9 B LHG EI 32 . ? 25.204 -8.483 3.668 0.60 73.94 ? 414 LHG d O9 1 +HETATM 59763 C C8 A LHG EI 32 . ? 26.296 -8.794 1.689 0.40 69.20 ? 414 LHG d C8 1 +HETATM 59764 C C8 B LHG EI 32 . ? 26.393 -8.721 1.606 0.60 69.38 ? 414 LHG d C8 1 +HETATM 59765 C C9 A LHG EI 32 . ? 24.976 -8.919 0.947 0.40 66.91 ? 414 LHG d C9 1 +HETATM 59766 C C9 B LHG EI 32 . ? 25.050 -8.888 0.918 0.60 66.97 ? 414 LHG d C9 1 +HETATM 59767 C C10 A LHG EI 32 . ? 24.472 -7.573 0.452 0.40 65.16 ? 414 LHG d C10 1 +HETATM 59768 C C10 B LHG EI 32 . ? 24.525 -7.552 0.413 0.60 65.14 ? 414 LHG d C10 1 +HETATM 59769 O O8 A LHG EI 32 . ? 26.739 -4.915 4.406 0.40 64.74 ? 414 LHG d O8 1 +HETATM 59770 O O8 B LHG EI 32 . ? 26.755 -4.880 4.436 0.60 64.67 ? 414 LHG d O8 1 +HETATM 59771 C C23 A LHG EI 32 . ? 26.609 -3.528 4.764 0.40 60.84 ? 414 LHG d C23 1 +HETATM 59772 C C23 B LHG EI 32 . ? 26.649 -3.479 4.776 0.60 60.85 ? 414 LHG d C23 1 +HETATM 59773 O O10 A LHG EI 32 . ? 27.341 -3.152 5.661 0.40 68.44 ? 414 LHG d O10 1 +HETATM 59774 O O10 B LHG EI 32 . ? 27.359 -3.094 5.688 0.60 68.74 ? 414 LHG d O10 1 +HETATM 59775 C C24 A LHG EI 32 . ? 25.639 -2.597 4.048 0.40 66.55 ? 414 LHG d C24 1 +HETATM 59776 C C24 B LHG EI 32 . ? 25.713 -2.533 4.028 0.60 66.59 ? 414 LHG d C24 1 +HETATM 59777 C C11 A LHG EI 32 . ? 23.381 -7.860 -0.574 0.40 61.12 ? 414 LHG d C11 1 +HETATM 59778 C C11 B LHG EI 32 . ? 23.426 -7.818 -0.607 0.60 61.01 ? 414 LHG d C11 1 +HETATM 59779 C C12 A LHG EI 32 . ? 23.047 -6.623 -1.381 0.40 73.42 ? 414 LHG d C12 1 +HETATM 59780 C C12 B LHG EI 32 . ? 23.156 -6.576 -1.437 0.60 73.53 ? 414 LHG d C12 1 +HETATM 59781 C C13 A LHG EI 32 . ? 21.993 -6.962 -2.425 0.40 80.25 ? 414 LHG d C13 1 +HETATM 59782 C C13 B LHG EI 32 . ? 22.088 -6.861 -2.482 0.60 80.66 ? 414 LHG d C13 1 +HETATM 59783 C C14 A LHG EI 32 . ? 22.558 -7.793 -3.570 0.40 73.74 ? 414 LHG d C14 1 +HETATM 59784 C C14 B LHG EI 32 . ? 22.607 -7.764 -3.593 0.60 73.77 ? 414 LHG d C14 1 +HETATM 59785 C C15 A LHG EI 32 . ? 21.473 -7.958 -4.634 0.40 80.72 ? 414 LHG d C15 1 +HETATM 59786 C C15 B LHG EI 32 . ? 21.539 -7.870 -4.679 0.60 80.97 ? 414 LHG d C15 1 +HETATM 59787 C C16 A LHG EI 32 . ? 22.013 -8.210 -6.042 0.40 78.94 ? 414 LHG d C16 1 +HETATM 59788 C C16 B LHG EI 32 . ? 22.110 -8.129 -6.075 0.60 79.08 ? 414 LHG d C16 1 +HETATM 59789 C C17 A LHG EI 32 . ? 20.846 -8.229 -7.018 0.40 69.11 ? 414 LHG d C17 1 +HETATM 59790 C C17 B LHG EI 32 . ? 20.969 -8.131 -7.086 0.60 68.91 ? 414 LHG d C17 1 +HETATM 59791 C C18 A LHG EI 32 . ? 21.301 -8.150 -8.470 0.40 80.86 ? 414 LHG d C18 1 +HETATM 59792 C C18 B LHG EI 32 . ? 21.465 -8.122 -8.524 0.60 81.13 ? 414 LHG d C18 1 +HETATM 59793 C C19 A LHG EI 32 . ? 20.961 -9.445 -9.202 0.40 80.11 ? 414 LHG d C19 1 +HETATM 59794 C C19 B LHG EI 32 . ? 21.054 -9.413 -9.219 0.60 80.09 ? 414 LHG d C19 1 +HETATM 59795 C C20 A LHG EI 32 . ? 20.982 -9.267 -10.719 0.40 91.13 ? 414 LHG d C20 1 +HETATM 59796 C C20 B LHG EI 32 . ? 21.008 -9.267 -10.735 0.60 91.28 ? 414 LHG d C20 1 +HETATM 59797 C C21 A LHG EI 32 . ? 21.254 -10.600 -11.415 0.40 86.60 ? 414 LHG d C21 1 +HETATM 59798 C C21 B LHG EI 32 . ? 21.209 -10.621 -11.410 0.60 86.66 ? 414 LHG d C21 1 +HETATM 59799 C C22 A LHG EI 32 . ? 20.927 -10.560 -12.893 0.40 93.92 ? 414 LHG d C22 1 +HETATM 59800 C C22 B LHG EI 32 . ? 20.899 -10.555 -12.890 0.60 94.06 ? 414 LHG d C22 1 +HETATM 59801 C C25 A LHG EI 32 . ? 25.901 -2.678 2.543 0.40 69.40 ? 414 LHG d C25 1 +HETATM 59802 C C25 B LHG EI 32 . ? 25.839 -2.742 2.517 0.60 69.43 ? 414 LHG d C25 1 +HETATM 59803 C C26 A LHG EI 32 . ? 25.305 -1.545 1.707 0.40 74.18 ? 414 LHG d C26 1 +HETATM 59804 C C26 B LHG EI 32 . ? 25.290 -1.587 1.675 0.60 74.37 ? 414 LHG d C26 1 +HETATM 59805 C C27 A LHG EI 32 . ? 26.257 -1.245 0.539 0.40 73.26 ? 414 LHG d C27 1 +HETATM 59806 C C27 B LHG EI 32 . ? 26.246 -1.270 0.517 0.60 73.36 ? 414 LHG d C27 1 +HETATM 59807 C C28 A LHG EI 32 . ? 25.596 -0.833 -0.775 0.40 68.92 ? 414 LHG d C28 1 +HETATM 59808 C C28 B LHG EI 32 . ? 25.557 -0.966 -0.814 0.60 69.17 ? 414 LHG d C28 1 +HETATM 59809 C C29 A LHG EI 32 . ? 26.628 -0.874 -1.913 0.40 69.09 ? 414 LHG d C29 1 +HETATM 59810 C C29 B LHG EI 32 . ? 26.591 -0.898 -1.942 0.60 69.13 ? 414 LHG d C29 1 +HETATM 59811 C C30 A LHG EI 32 . ? 26.064 -1.239 -3.292 0.40 68.22 ? 414 LHG d C30 1 +HETATM 59812 C C30 B LHG EI 32 . ? 26.036 -1.266 -3.322 0.60 68.21 ? 414 LHG d C30 1 +HETATM 59813 C C31 A LHG EI 32 . ? 25.508 -2.664 -3.414 0.40 72.31 ? 414 LHG d C31 1 +HETATM 59814 C C31 B LHG EI 32 . ? 25.479 -2.688 -3.422 0.60 72.30 ? 414 LHG d C31 1 +HETATM 59815 C C32 A LHG EI 32 . ? 26.455 -3.685 -4.058 0.40 76.53 ? 414 LHG d C32 1 +HETATM 59816 C C32 B LHG EI 32 . ? 26.489 -3.724 -3.920 0.60 77.00 ? 414 LHG d C32 1 +HETATM 59817 C C33 A LHG EI 32 . ? 25.976 -5.116 -3.773 0.40 75.06 ? 414 LHG d C33 1 +HETATM 59818 C C33 B LHG EI 32 . ? 25.927 -5.140 -3.771 0.60 75.09 ? 414 LHG d C33 1 +HETATM 59819 C C34 A LHG EI 32 . ? 27.058 -6.197 -3.887 0.40 70.12 ? 414 LHG d C34 1 +HETATM 59820 C C34 B LHG EI 32 . ? 26.976 -6.251 -3.875 0.60 70.10 ? 414 LHG d C34 1 +HETATM 59821 C C35 A LHG EI 32 . ? 27.524 -6.735 -2.528 0.40 67.92 ? 414 LHG d C35 1 +HETATM 59822 C C35 B LHG EI 32 . ? 27.453 -6.735 -2.505 0.60 67.92 ? 414 LHG d C35 1 +HETATM 59823 C C36 A LHG EI 32 . ? 27.748 -8.254 -2.523 0.40 61.81 ? 414 LHG d C36 1 +HETATM 59824 C C36 B LHG EI 32 . ? 27.719 -8.243 -2.483 0.60 61.74 ? 414 LHG d C36 1 +HETATM 59825 C C37 A LHG EI 32 . ? 28.836 -8.667 -1.534 0.40 61.06 ? 414 LHG d C37 1 +HETATM 59826 C C37 B LHG EI 32 . ? 28.855 -8.612 -1.532 0.60 61.08 ? 414 LHG d C37 1 +HETATM 59827 C C38 A LHG EI 32 . ? 29.023 -10.170 -1.399 0.40 51.78 ? 414 LHG d C38 1 +HETATM 59828 C C38 B LHG EI 32 . ? 29.062 -10.113 -1.409 0.60 51.81 ? 414 LHG d C38 1 +HETATM 59829 C C1B . LMT FI 31 . ? 21.491 54.204 9.847 1.00 191.17 ? 101 LMT e C1B 1 +HETATM 59830 C C2B . LMT FI 31 . ? 20.872 55.207 8.830 1.00 189.14 ? 101 LMT e C2B 1 +HETATM 59831 C C3B . LMT FI 31 . ? 20.378 54.521 7.530 1.00 199.55 ? 101 LMT e C3B 1 +HETATM 59832 C C4B . LMT FI 31 . ? 21.412 53.504 6.978 1.00 194.54 ? 101 LMT e C4B 1 +HETATM 59833 C C5B . LMT FI 31 . ? 21.823 52.580 8.142 1.00 176.32 ? 101 LMT e C5B 1 +HETATM 59834 C C6B . LMT FI 31 . ? 22.824 51.539 7.649 1.00 151.65 ? 101 LMT e C6B 1 +HETATM 59835 O O1B . LMT FI 31 . ? 20.502 53.514 10.566 1.00 182.44 ? 101 LMT e O1B 1 +HETATM 59836 O O2B . LMT FI 31 . ? 19.831 55.852 9.456 1.00 183.73 ? 101 LMT e O2B 1 +HETATM 59837 O O3B . LMT FI 31 . ? 20.007 55.452 6.585 1.00 198.47 ? 101 LMT e O3B 1 +HETATM 59838 O "O4'" . LMT FI 31 . ? 20.870 52.759 5.930 1.00 138.97 ? 101 LMT e "O4'" 1 +HETATM 59839 O O5B . LMT FI 31 . ? 22.369 53.298 9.230 1.00 197.54 ? 101 LMT e O5B 1 +HETATM 59840 O O6B . LMT FI 31 . ? 23.631 51.139 8.688 1.00 142.67 ? 101 LMT e O6B 1 +HETATM 59841 C "C1'" . LMT FI 31 . ? 19.058 52.542 14.273 1.00 153.83 ? 101 LMT e "C1'" 1 +HETATM 59842 C "C2'" . LMT FI 31 . ? 18.365 53.770 13.647 1.00 158.15 ? 101 LMT e "C2'" 1 +HETATM 59843 C "C3'" . LMT FI 31 . ? 18.757 53.865 12.148 1.00 161.19 ? 101 LMT e "C3'" 1 +HETATM 59844 C "C4'" . LMT FI 31 . ? 20.289 53.832 11.935 1.00 166.29 ? 101 LMT e "C4'" 1 +HETATM 59845 C "C5'" . LMT FI 31 . ? 20.861 52.679 12.812 1.00 161.61 ? 101 LMT e "C5'" 1 +HETATM 59846 C "C6'" . LMT FI 31 . ? 22.367 52.580 12.791 1.00 157.24 ? 101 LMT e "C6'" 1 +HETATM 59847 O "O1'" . LMT FI 31 . ? 18.764 52.418 15.614 1.00 156.64 ? 101 LMT e "O1'" 1 +HETATM 59848 O "O2'" . LMT FI 31 . ? 17.001 53.622 13.735 1.00 137.06 ? 101 LMT e "O2'" 1 +HETATM 59849 O "O3'" . LMT FI 31 . ? 18.229 54.991 11.581 1.00 174.14 ? 101 LMT e "O3'" 1 +HETATM 59850 O "O5'" . LMT FI 31 . ? 20.453 52.769 14.159 1.00 165.62 ? 101 LMT e "O5'" 1 +HETATM 59851 O "O6'" . LMT FI 31 . ? 22.665 51.246 12.696 1.00 122.05 ? 101 LMT e "O6'" 1 +HETATM 59852 C C1 . LMT FI 31 . ? 18.220 51.165 16.025 1.00 135.54 ? 101 LMT e C1 1 +HETATM 59853 C C2 . LMT FI 31 . ? 18.782 50.895 17.406 1.00 133.74 ? 101 LMT e C2 1 +HETATM 59854 C C3 . LMT FI 31 . ? 18.021 49.942 18.291 1.00 122.55 ? 101 LMT e C3 1 +HETATM 59855 C C4 . LMT FI 31 . ? 18.718 48.593 18.289 1.00 130.80 ? 101 LMT e C4 1 +HETATM 59856 C C5 . LMT FI 31 . ? 18.498 47.845 19.572 1.00 128.62 ? 101 LMT e C5 1 +HETATM 59857 C C6 . LMT FI 31 . ? 18.448 46.351 19.381 1.00 125.70 ? 101 LMT e C6 1 +HETATM 59858 C C7 . LMT FI 31 . ? 19.506 45.661 20.208 1.00 116.66 ? 101 LMT e C7 1 +HETATM 59859 C C8 . LMT FI 31 . ? 18.865 44.692 21.154 1.00 117.76 ? 101 LMT e C8 1 +HETATM 59860 C C9 . LMT FI 31 . ? 19.794 43.635 21.689 1.00 139.21 ? 101 LMT e C9 1 +HETATM 59861 C C10 . LMT FI 31 . ? 19.037 42.773 22.676 1.00 125.42 ? 101 LMT e C10 1 +HETATM 59862 C C11 . LMT FI 31 . ? 19.858 41.611 23.151 1.00 110.95 ? 101 LMT e C11 1 +HETATM 59863 C C12 . LMT FI 31 . ? 21.251 42.012 23.524 1.00 116.58 ? 101 LMT e C12 1 +HETATM 59864 C CHA . HEM GI 38 . ? 34.109 30.640 29.849 1.00 76.73 ? 101 HEM f CHA 1 +HETATM 59865 C CHB . HEM GI 38 . ? 36.419 34.636 28.341 1.00 81.60 ? 101 HEM f CHB 1 +HETATM 59866 C CHC . HEM GI 38 . ? 33.025 35.252 24.890 1.00 67.64 ? 101 HEM f CHC 1 +HETATM 59867 C CHD . HEM GI 38 . ? 30.496 31.535 26.755 1.00 61.78 ? 101 HEM f CHD 1 +HETATM 59868 C C1A . HEM GI 38 . ? 35.003 31.683 29.730 1.00 82.67 ? 101 HEM f C1A 1 +HETATM 59869 C C2A . HEM GI 38 . ? 36.106 31.881 30.594 1.00 100.20 ? 101 HEM f C2A 1 +HETATM 59870 C C3A . HEM GI 38 . ? 36.768 32.993 30.175 1.00 104.33 ? 101 HEM f C3A 1 +HETATM 59871 C C4A . HEM GI 38 . ? 36.071 33.507 29.055 1.00 86.73 ? 101 HEM f C4A 1 +HETATM 59872 C CMA . HEM GI 38 . ? 38.019 33.566 30.798 1.00 86.93 ? 101 HEM f CMA 1 +HETATM 59873 C CAA . HEM GI 38 . ? 36.506 30.989 31.747 1.00 105.51 ? 101 HEM f CAA 1 +HETATM 59874 C CBA . HEM GI 38 . ? 36.291 31.642 33.121 1.00 128.33 ? 101 HEM f CBA 1 +HETATM 59875 C CGA . HEM GI 38 . ? 34.852 31.565 33.573 1.00 135.11 ? 101 HEM f CGA 1 +HETATM 59876 O O1A . HEM GI 38 . ? 33.956 32.049 32.839 1.00 114.53 ? 101 HEM f O1A 1 +HETATM 59877 O O2A . HEM GI 38 . ? 34.560 31.036 34.682 1.00 124.30 ? 101 HEM f O2A 1 +HETATM 59878 C C1B . HEM GI 38 . ? 35.707 35.074 27.216 1.00 81.41 ? 101 HEM f C1B 1 +HETATM 59879 C C2B . HEM GI 38 . ? 36.206 36.091 26.342 1.00 79.70 ? 101 HEM f C2B 1 +HETATM 59880 C C3B . HEM GI 38 . ? 35.266 36.282 25.368 1.00 73.05 ? 101 HEM f C3B 1 +HETATM 59881 C C4B . HEM GI 38 . ? 34.169 35.339 25.684 1.00 80.42 ? 101 HEM f C4B 1 +HETATM 59882 C CMB . HEM GI 38 . ? 37.520 36.821 26.468 1.00 78.98 ? 101 HEM f CMB 1 +HETATM 59883 C CAB . HEM GI 38 . ? 35.277 37.227 24.233 1.00 79.25 ? 101 HEM f CAB 1 +HETATM 59884 C CBB . HEM GI 38 . ? 36.295 37.309 23.384 1.00 89.95 ? 101 HEM f CBB 1 +HETATM 59885 C C1C . HEM GI 38 . ? 32.024 34.317 25.117 1.00 62.16 ? 101 HEM f C1C 1 +HETATM 59886 C C2C . HEM GI 38 . ? 30.789 34.276 24.452 1.00 83.46 ? 101 HEM f C2C 1 +HETATM 59887 C C3C . HEM GI 38 . ? 30.064 33.223 24.988 1.00 66.87 ? 101 HEM f C3C 1 +HETATM 59888 C C4C . HEM GI 38 . ? 30.873 32.612 25.987 1.00 62.42 ? 101 HEM f C4C 1 +HETATM 59889 C CMC . HEM GI 38 . ? 30.347 35.196 23.338 1.00 67.54 ? 101 HEM f CMC 1 +HETATM 59890 C CAC . HEM GI 38 . ? 28.709 32.829 24.551 1.00 74.15 ? 101 HEM f CAC 1 +HETATM 59891 C CBC . HEM GI 38 . ? 27.728 32.629 25.430 1.00 86.63 ? 101 HEM f CBC 1 +HETATM 59892 C C1D . HEM GI 38 . ? 31.362 30.939 27.669 1.00 72.20 ? 101 HEM f C1D 1 +HETATM 59893 C C2D . HEM GI 38 . ? 31.155 29.573 28.168 1.00 86.38 ? 101 HEM f C2D 1 +HETATM 59894 C C3D . HEM GI 38 . ? 32.156 29.331 29.024 1.00 80.82 ? 101 HEM f C3D 1 +HETATM 59895 C C4D . HEM GI 38 . ? 32.984 30.533 29.045 1.00 83.32 ? 101 HEM f C4D 1 +HETATM 59896 C CMD . HEM GI 38 . ? 30.049 28.611 27.818 1.00 74.13 ? 101 HEM f CMD 1 +HETATM 59897 C CAD . HEM GI 38 . ? 32.388 28.055 29.776 1.00 89.17 ? 101 HEM f CAD 1 +HETATM 59898 C CBD . HEM GI 38 . ? 33.449 27.314 28.963 1.00 73.69 ? 101 HEM f CBD 1 +HETATM 59899 C CGD . HEM GI 38 . ? 33.954 25.963 29.404 1.00 101.10 ? 101 HEM f CGD 1 +HETATM 59900 O O1D . HEM GI 38 . ? 34.118 25.050 28.562 1.00 89.87 ? 101 HEM f O1D 1 +HETATM 59901 O O2D . HEM GI 38 . ? 34.222 25.759 30.607 1.00 85.07 ? 101 HEM f O2D 1 +HETATM 59902 N NA . HEM GI 38 . ? 34.966 32.725 28.829 1.00 103.93 ? 101 HEM f NA 1 +HETATM 59903 N NB . HEM GI 38 . ? 34.511 34.646 26.789 1.00 64.07 ? 101 HEM f NB 1 +HETATM 59904 N NC . HEM GI 38 . ? 32.034 33.344 26.072 1.00 77.94 ? 101 HEM f NC 1 +HETATM 59905 N ND . HEM GI 38 . ? 32.473 31.444 28.209 1.00 69.06 ? 101 HEM f ND 1 +HETATM 59906 FE FE . HEM GI 38 . ? 33.528 32.921 27.469 1.00 75.64 ? 101 HEM f FE 1 +HETATM 59907 O O6 . SQD HI 26 . ? 46.246 22.150 29.248 1.00 157.93 ? 102 SQD f O6 1 +HETATM 59908 C C44 . SQD HI 26 . ? 46.294 21.742 27.879 1.00 133.11 ? 102 SQD f C44 1 +HETATM 59909 C C45 . SQD HI 26 . ? 46.211 22.962 26.971 1.00 145.30 ? 102 SQD f C45 1 +HETATM 59910 C C46 . SQD HI 26 . ? 44.962 22.822 26.110 1.00 112.62 ? 102 SQD f C46 1 +HETATM 59911 O O47 . SQD HI 26 . ? 46.136 24.147 27.774 1.00 168.88 ? 102 SQD f O47 1 +HETATM 59912 C C7 . SQD HI 26 . ? 46.741 25.356 27.207 1.00 158.46 ? 102 SQD f C7 1 +HETATM 59913 O O49 . SQD HI 26 . ? 46.896 26.316 27.952 1.00 148.48 ? 102 SQD f O49 1 +HETATM 59914 C C8 . SQD HI 26 . ? 47.154 25.445 25.748 1.00 153.36 ? 102 SQD f C8 1 +HETATM 59915 C C9 . SQD HI 26 . ? 48.014 26.677 25.468 1.00 143.33 ? 102 SQD f C9 1 +HETATM 59916 C C10 . SQD HI 26 . ? 47.983 27.025 23.980 1.00 146.12 ? 102 SQD f C10 1 +HETATM 59917 C C11 . SQD HI 26 . ? 49.193 27.851 23.558 1.00 120.49 ? 102 SQD f C11 1 +HETATM 59918 O O48 . SQD HI 26 . ? 45.381 22.820 24.750 1.00 122.53 ? 102 SQD f O48 1 +HETATM 59919 C C23 . SQD HI 26 . ? 44.508 23.397 23.742 1.00 135.93 ? 102 SQD f C23 1 +HETATM 59920 O O10 . SQD HI 26 . ? 43.435 23.856 24.107 1.00 133.43 ? 102 SQD f O10 1 +HETATM 59921 C C24 . SQD HI 26 . ? 44.935 23.437 22.288 1.00 118.19 ? 102 SQD f C24 1 +HETATM 59922 C C25 . SQD HI 26 . ? 43.710 23.500 21.381 1.00 116.00 ? 102 SQD f C25 1 +HETATM 59923 C C26 . SQD HI 26 . ? 44.056 24.084 20.015 1.00 125.19 ? 102 SQD f C26 1 +HETATM 59924 C C27 . SQD HI 26 . ? 45.121 23.258 19.297 1.00 126.18 ? 102 SQD f C27 1 +HETATM 59925 C C28 . SQD HI 26 . ? 46.244 24.150 18.768 1.00 142.95 ? 102 SQD f C28 1 +HETATM 59926 C C29 . SQD HI 26 . ? 45.898 24.830 17.444 1.00 135.79 ? 102 SQD f C29 1 +HETATM 59927 C C30 . SQD HI 26 . ? 47.083 25.616 16.880 1.00 113.32 ? 102 SQD f C30 1 +HETATM 59928 C C31 . SQD HI 26 . ? 46.857 25.922 15.401 1.00 125.26 ? 102 SQD f C31 1 +HETATM 59929 C C32 . SQD HI 26 . ? 47.952 26.805 14.811 1.00 124.45 ? 102 SQD f C32 1 +HETATM 59930 C C33 . SQD HI 26 . ? 47.814 26.913 13.294 1.00 112.35 ? 102 SQD f C33 1 +HETATM 59931 C C34 . SQD HI 26 . ? 46.481 27.536 12.890 1.00 113.94 ? 102 SQD f C34 1 +HETATM 59932 C C35 . SQD HI 26 . ? 46.682 28.956 12.372 1.00 108.86 ? 102 SQD f C35 1 +HETATM 59933 C C36 . SQD HI 26 . ? 45.426 29.493 11.691 1.00 129.42 ? 102 SQD f C36 1 +HETATM 59934 C C37 . SQD HI 26 . ? 44.201 29.429 12.601 1.00 126.79 ? 102 SQD f C37 1 +HETATM 59935 C C38 . SQD HI 26 . ? 43.065 30.277 12.059 1.00 115.70 ? 102 SQD f C38 1 +HETATM 59936 C C1 . SQD HI 26 . ? 46.024 21.011 30.076 1.00 165.66 ? 102 SQD f C1 1 +HETATM 59937 C C2 . SQD HI 26 . ? 46.013 21.406 31.554 1.00 179.05 ? 102 SQD f C2 1 +HETATM 59938 O O2 . SQD HI 26 . ? 47.363 21.549 32.017 1.00 181.23 ? 102 SQD f O2 1 +HETATM 59939 C C3 . SQD HI 26 . ? 45.304 20.348 32.383 1.00 180.53 ? 102 SQD f C3 1 +HETATM 59940 O O3 . SQD HI 26 . ? 45.355 20.662 33.788 1.00 152.18 ? 102 SQD f O3 1 +HETATM 59941 C C4 . SQD HI 26 . ? 43.877 20.304 31.859 1.00 172.52 ? 102 SQD f C4 1 +HETATM 59942 O O4 . SQD HI 26 . ? 43.058 19.485 32.705 1.00 195.00 ? 102 SQD f O4 1 +HETATM 59943 C C5 . SQD HI 26 . ? 43.875 19.751 30.438 1.00 154.81 ? 102 SQD f C5 1 +HETATM 59944 C C6 . SQD HI 26 . ? 42.501 19.938 29.801 1.00 156.24 ? 102 SQD f C6 1 +HETATM 59945 O O5 . SQD HI 26 . ? 44.852 20.348 29.571 1.00 162.01 ? 102 SQD f O5 1 +HETATM 59946 S S . SQD HI 26 . ? 42.514 19.455 28.201 1.00 138.61 ? 102 SQD f S 1 +HETATM 59947 O O7 . SQD HI 26 . ? 43.193 20.487 27.374 1.00 106.10 ? 102 SQD f O7 1 +HETATM 59948 O O8 . SQD HI 26 . ? 43.221 18.159 28.064 1.00 90.68 ? 102 SQD f O8 1 +HETATM 59949 O O9 . SQD HI 26 . ? 41.104 19.307 27.764 1.00 104.37 ? 102 SQD f O9 1 +HETATM 59950 CA CA . CA II 36 . ? 16.055 55.534 -1.616 1.00 120.54 ? 103 CA f CA 1 +HETATM 59951 C C1 . BCR JI 25 . ? 52.756 5.263 -1.870 1.00 62.29 ? 101 BCR h C1 1 +HETATM 59952 C C2 . BCR JI 25 . ? 52.358 4.385 -0.692 1.00 64.93 ? 101 BCR h C2 1 +HETATM 59953 C C3 . BCR JI 25 . ? 53.096 4.818 0.562 1.00 63.97 ? 101 BCR h C3 1 +HETATM 59954 C C4 . BCR JI 25 . ? 54.586 4.603 0.371 1.00 57.42 ? 101 BCR h C4 1 +HETATM 59955 C C5 . BCR JI 25 . ? 55.079 5.168 -0.946 1.00 59.64 ? 101 BCR h C5 1 +HETATM 59956 C C6 . BCR JI 25 . ? 54.253 5.463 -1.968 1.00 55.74 ? 101 BCR h C6 1 +HETATM 59957 C C7 . BCR JI 25 . ? 54.738 6.009 -3.263 1.00 57.96 ? 101 BCR h C7 1 +HETATM 59958 C C8 . BCR JI 25 . ? 55.473 7.108 -3.426 1.00 56.30 ? 101 BCR h C8 1 +HETATM 59959 C C9 . BCR JI 25 . ? 55.899 7.562 -4.762 1.00 72.80 ? 101 BCR h C9 1 +HETATM 59960 C C10 . BCR JI 25 . ? 56.527 8.748 -4.814 1.00 56.82 ? 101 BCR h C10 1 +HETATM 59961 C C11 . BCR JI 25 . ? 56.995 9.377 -6.042 1.00 65.32 ? 101 BCR h C11 1 +HETATM 59962 C C33 . BCR JI 25 . ? 56.561 5.367 -1.054 1.00 61.06 ? 101 BCR h C33 1 +HETATM 59963 C C31 . BCR JI 25 . ? 52.077 6.615 -1.729 1.00 61.35 ? 101 BCR h C31 1 +HETATM 59964 C C32 . BCR JI 25 . ? 52.284 4.631 -3.167 1.00 65.12 ? 101 BCR h C32 1 +HETATM 59965 C C34 . BCR JI 25 . ? 55.619 6.747 -6.006 1.00 56.32 ? 101 BCR h C34 1 +HETATM 59966 C C12 . BCR JI 25 . ? 57.166 10.702 -6.019 1.00 62.52 ? 101 BCR h C12 1 +HETATM 59967 C C13 . BCR JI 25 . ? 57.627 11.479 -7.189 1.00 79.13 ? 101 BCR h C13 1 +HETATM 59968 C C14 . BCR JI 25 . ? 57.783 12.813 -7.008 1.00 66.18 ? 101 BCR h C14 1 +HETATM 59969 C C15 . BCR JI 25 . ? 58.206 13.827 -7.977 1.00 69.46 ? 101 BCR h C15 1 +HETATM 59970 C C16 . BCR JI 25 . ? 58.232 15.120 -7.592 1.00 72.44 ? 101 BCR h C16 1 +HETATM 59971 C C17 . BCR JI 25 . ? 58.634 16.193 -8.519 1.00 78.09 ? 101 BCR h C17 1 +HETATM 59972 C C18 . BCR JI 25 . ? 58.526 17.510 -8.228 1.00 67.90 ? 101 BCR h C18 1 +HETATM 59973 C C19 . BCR JI 25 . ? 58.946 18.525 -9.237 1.00 71.77 ? 101 BCR h C19 1 +HETATM 59974 C C20 . BCR JI 25 . ? 58.750 19.854 -9.158 1.00 70.96 ? 101 BCR h C20 1 +HETATM 59975 C C21 . BCR JI 25 . ? 59.229 20.713 -10.269 1.00 80.74 ? 101 BCR h C21 1 +HETATM 59976 C C22 . BCR JI 25 . ? 59.113 22.067 -10.303 1.00 73.35 ? 101 BCR h C22 1 +HETATM 59977 C C23 . BCR JI 25 . ? 59.572 22.789 -11.360 1.00 83.80 ? 101 BCR h C23 1 +HETATM 59978 C C24 . BCR JI 25 . ? 59.423 24.127 -11.450 1.00 73.50 ? 101 BCR h C24 1 +HETATM 59979 C C25 . BCR JI 25 . ? 59.903 24.964 -12.592 1.00 90.74 ? 101 BCR h C25 1 +HETATM 59980 C C26 . BCR JI 25 . ? 59.213 25.021 -13.757 1.00 90.28 ? 101 BCR h C26 1 +HETATM 59981 C C27 . BCR JI 25 . ? 59.630 25.859 -14.952 1.00 80.40 ? 101 BCR h C27 1 +HETATM 59982 C C28 . BCR JI 25 . ? 61.079 26.302 -14.865 1.00 92.06 ? 101 BCR h C28 1 +HETATM 59983 C C29 . BCR JI 25 . ? 61.375 26.829 -13.470 1.00 88.25 ? 101 BCR h C29 1 +HETATM 59984 C C30 . BCR JI 25 . ? 61.180 25.768 -12.394 1.00 84.77 ? 101 BCR h C30 1 +HETATM 59985 C C35 . BCR JI 25 . ? 57.888 10.756 -8.487 1.00 70.84 ? 101 BCR h C35 1 +HETATM 59986 C C36 . BCR JI 25 . ? 57.982 17.916 -6.890 1.00 73.34 ? 101 BCR h C36 1 +HETATM 59987 C C37 . BCR JI 25 . ? 58.473 22.781 -9.150 1.00 76.41 ? 101 BCR h C37 1 +HETATM 59988 C C38 . BCR JI 25 . ? 57.947 24.237 -13.940 1.00 97.21 ? 101 BCR h C38 1 +HETATM 59989 C C39 . BCR JI 25 . ? 61.119 26.453 -11.030 1.00 85.15 ? 101 BCR h C39 1 +HETATM 59990 C C40 . BCR JI 25 . ? 62.394 24.853 -12.406 1.00 91.50 ? 101 BCR h C40 1 +HETATM 59991 C C1A . DGD KI 35 . ? 38.933 18.653 -12.318 1.00 65.24 ? 102 DGD h C1A 1 +HETATM 59992 C C2A . DGD KI 35 . ? 39.051 19.019 -10.851 1.00 62.32 ? 102 DGD h C2A 1 +HETATM 59993 C C3A . DGD KI 35 . ? 39.249 17.778 -9.988 1.00 61.60 ? 102 DGD h C3A 1 +HETATM 59994 C C4A . DGD KI 35 . ? 39.185 18.111 -8.497 1.00 62.50 ? 102 DGD h C4A 1 +HETATM 59995 C C5A . DGD KI 35 . ? 39.189 16.839 -7.648 1.00 65.50 ? 102 DGD h C5A 1 +HETATM 59996 C C6A . DGD KI 35 . ? 39.332 17.168 -6.169 1.00 74.58 ? 102 DGD h C6A 1 +HETATM 59997 C C7A . DGD KI 35 . ? 39.048 15.973 -5.269 1.00 80.32 ? 102 DGD h C7A 1 +HETATM 59998 C C8A . DGD KI 35 . ? 39.219 16.375 -3.808 1.00 76.11 ? 102 DGD h C8A 1 +HETATM 59999 C C9A . DGD KI 35 . ? 38.297 15.615 -2.865 1.00 76.60 ? 102 DGD h C9A 1 +HETATM 60000 C CAA . DGD KI 35 . ? 38.634 14.135 -2.737 1.00 76.11 ? 102 DGD h CAA 1 +HETATM 60001 C CBA . DGD KI 35 . ? 38.002 13.616 -1.452 1.00 72.76 ? 102 DGD h CBA 1 +HETATM 60002 C CCA . DGD KI 35 . ? 36.772 12.747 -1.693 1.00 72.58 ? 102 DGD h CCA 1 +HETATM 60003 C CDA . DGD KI 35 . ? 37.123 11.261 -1.784 1.00 75.14 ? 102 DGD h CDA 1 +HETATM 60004 C CEA . DGD KI 35 . ? 36.051 10.432 -1.078 1.00 81.63 ? 102 DGD h CEA 1 +HETATM 60005 C CFA . DGD KI 35 . ? 36.048 8.955 -1.478 1.00 69.70 ? 102 DGD h CFA 1 +HETATM 60006 C CGA . DGD KI 35 . ? 35.210 8.711 -2.726 1.00 57.53 ? 102 DGD h CGA 1 +HETATM 60007 O O1A . DGD KI 35 . ? 39.032 17.517 -12.721 1.00 65.21 ? 102 DGD h O1A 1 +HETATM 60008 C C1B . DGD KI 35 . ? 41.490 18.012 -14.318 1.00 61.90 ? 102 DGD h C1B 1 +HETATM 60009 C C2B . DGD KI 35 . ? 42.205 16.707 -14.056 1.00 62.61 ? 102 DGD h C2B 1 +HETATM 60010 C C3B . DGD KI 35 . ? 41.204 15.601 -14.368 1.00 66.39 ? 102 DGD h C3B 1 +HETATM 60011 C C4B . DGD KI 35 . ? 41.834 14.218 -14.503 1.00 63.44 ? 102 DGD h C4B 1 +HETATM 60012 C C5B . DGD KI 35 . ? 41.641 13.394 -13.238 1.00 67.43 ? 102 DGD h C5B 1 +HETATM 60013 C C6B . DGD KI 35 . ? 40.231 13.486 -12.666 1.00 62.54 ? 102 DGD h C6B 1 +HETATM 60014 C C7B . DGD KI 35 . ? 40.074 12.441 -11.567 1.00 63.64 ? 102 DGD h C7B 1 +HETATM 60015 C C8B . DGD KI 35 . ? 38.918 12.741 -10.622 1.00 70.82 ? 102 DGD h C8B 1 +HETATM 60016 C C9B . DGD KI 35 . ? 37.703 13.265 -11.373 1.00 71.07 ? 102 DGD h C9B 1 +HETATM 60017 C CAB . DGD KI 35 . ? 36.644 12.198 -11.597 1.00 65.68 ? 102 DGD h CAB 1 +HETATM 60018 C CBB . DGD KI 35 . ? 35.419 12.890 -12.181 1.00 73.78 ? 102 DGD h CBB 1 +HETATM 60019 C CCB . DGD KI 35 . ? 34.735 12.072 -13.270 1.00 75.93 ? 102 DGD h CCB 1 +HETATM 60020 C CDB . DGD KI 35 . ? 34.335 13.050 -14.372 1.00 78.23 ? 102 DGD h CDB 1 +HETATM 60021 C CEB . DGD KI 35 . ? 33.269 12.514 -15.320 1.00 64.86 ? 102 DGD h CEB 1 +HETATM 60022 C CFB . DGD KI 35 . ? 31.914 12.482 -14.628 1.00 60.91 ? 102 DGD h CFB 1 +HETATM 60023 C CGB . DGD KI 35 . ? 31.571 11.077 -14.163 1.00 54.37 ? 102 DGD h CGB 1 +HETATM 60024 O O1B . DGD KI 35 . ? 41.769 19.025 -13.717 1.00 60.56 ? 102 DGD h O1B 1 +HETATM 60025 O O1G . DGD KI 35 . ? 38.714 19.657 -13.325 1.00 67.29 ? 102 DGD h O1G 1 +HETATM 60026 C C1G . DGD KI 35 . ? 38.479 19.212 -14.659 1.00 62.46 ? 102 DGD h C1G 1 +HETATM 60027 C C2G . DGD KI 35 . ? 39.781 19.285 -15.445 1.00 56.48 ? 102 DGD h C2G 1 +HETATM 60028 O O2G . DGD KI 35 . ? 40.421 18.033 -15.303 1.00 59.86 ? 102 DGD h O2G 1 +HETATM 60029 C C3G . DGD KI 35 . ? 39.442 19.463 -16.912 1.00 58.93 ? 102 DGD h C3G 1 +HETATM 60030 O O3G . DGD KI 35 . ? 39.192 20.844 -17.156 1.00 57.43 ? 102 DGD h O3G 1 +HETATM 60031 C C1D . DGD KI 35 . ? 38.072 21.016 -18.012 1.00 62.54 ? 102 DGD h C1D 1 +HETATM 60032 C C2D . DGD KI 35 . ? 37.522 22.441 -17.934 1.00 52.18 ? 102 DGD h C2D 1 +HETATM 60033 O O2D . DGD KI 35 . ? 37.092 22.721 -16.604 1.00 57.77 ? 102 DGD h O2D 1 +HETATM 60034 C C3D . DGD KI 35 . ? 36.337 22.555 -18.892 1.00 67.02 ? 102 DGD h C3D 1 +HETATM 60035 O O3D . DGD KI 35 . ? 35.783 23.873 -18.912 1.00 66.03 ? 102 DGD h O3D 1 +HETATM 60036 C C4D . DGD KI 35 . ? 36.822 22.217 -20.284 1.00 61.72 ? 102 DGD h C4D 1 +HETATM 60037 O O4D . DGD KI 35 . ? 37.832 23.190 -20.585 1.00 67.45 ? 102 DGD h O4D 1 +HETATM 60038 C C5D . DGD KI 35 . ? 37.384 20.794 -20.265 1.00 59.45 ? 102 DGD h C5D 1 +HETATM 60039 O O5D . DGD KI 35 . ? 38.812 21.140 -22.170 1.00 74.92 ? 102 DGD h O5D 1 +HETATM 60040 C C6D . DGD KI 35 . ? 37.849 20.249 -21.609 1.00 52.79 ? 102 DGD h C6D 1 +HETATM 60041 O O6D . DGD KI 35 . ? 38.477 20.728 -19.347 1.00 63.83 ? 102 DGD h O6D 1 +HETATM 60042 C C1E . DGD KI 35 . ? 39.624 20.559 -23.200 1.00 69.63 ? 102 DGD h C1E 1 +HETATM 60043 C C2E . DGD KI 35 . ? 40.905 21.385 -23.345 1.00 82.75 ? 102 DGD h C2E 1 +HETATM 60044 O O2E . DGD KI 35 . ? 41.672 21.453 -22.132 1.00 78.39 ? 102 DGD h O2E 1 +HETATM 60045 C C3E . DGD KI 35 . ? 40.560 22.814 -23.750 1.00 79.34 ? 102 DGD h C3E 1 +HETATM 60046 O O3E . DGD KI 35 . ? 41.785 23.525 -23.953 1.00 76.59 ? 102 DGD h O3E 1 +HETATM 60047 C C4E . DGD KI 35 . ? 39.706 22.795 -25.016 1.00 81.69 ? 102 DGD h C4E 1 +HETATM 60048 O O4E . DGD KI 35 . ? 40.455 22.250 -26.118 1.00 73.12 ? 102 DGD h O4E 1 +HETATM 60049 C C5E . DGD KI 35 . ? 38.472 21.935 -24.741 1.00 68.38 ? 102 DGD h C5E 1 +HETATM 60050 O O6E . DGD KI 35 . ? 38.880 20.604 -24.422 1.00 57.99 ? 102 DGD h O6E 1 +HETATM 60051 C C6E . DGD KI 35 . ? 37.481 21.924 -25.890 1.00 60.55 ? 102 DGD h C6E 1 +HETATM 60052 O O5E . DGD KI 35 . ? 38.000 21.048 -26.895 1.00 77.00 ? 102 DGD h O5E 1 +HETATM 60053 C C10 . UNL LI 30 . ? -25.187 -3.976 -14.977 1.00 106.21 ? 101 UNL i C10 1 +HETATM 60054 C C11 . UNL LI 30 . ? -24.888 -4.383 -13.541 1.00 93.25 ? 101 UNL i C11 1 +HETATM 60055 C C12 . UNL LI 30 . ? -23.409 -4.704 -13.379 1.00 81.49 ? 101 UNL i C12 1 +HETATM 60056 C C13 . UNL LI 30 . ? -23.016 -4.606 -11.911 1.00 83.33 ? 101 UNL i C13 1 +HETATM 60057 C C14 . UNL LI 30 . ? -21.751 -5.403 -11.629 1.00 80.25 ? 101 UNL i C14 1 +HETATM 60058 C C15 . UNL LI 30 . ? -20.845 -4.621 -10.693 1.00 73.83 ? 101 UNL i C15 1 +HETATM 60059 C C16 . UNL LI 30 . ? -19.720 -5.470 -10.109 1.00 78.18 ? 101 UNL i C16 1 +HETATM 60060 C C17 . UNL LI 30 . ? -20.152 -6.218 -8.856 1.00 78.10 ? 101 UNL i C17 1 +HETATM 60061 C C18 . UNL LI 30 . ? -18.915 -6.644 -8.072 1.00 87.17 ? 101 UNL i C18 1 +HETATM 60062 C C19 . UNL LI 30 . ? -19.155 -7.920 -7.280 1.00 81.41 ? 101 UNL i C19 1 +HETATM 60063 C C20 . UNL LI 30 . ? -17.867 -8.733 -7.160 1.00 98.16 ? 101 UNL i C20 1 +HETATM 60064 C C21 . UNL LI 30 . ? -18.008 -9.761 -6.044 1.00 98.49 ? 101 UNL i C21 1 +HETATM 60065 C C22 . UNL LI 30 . ? -16.759 -10.597 -5.853 1.00 109.26 ? 101 UNL i C22 1 +HETATM 60066 C C23 . UNL LI 30 . ? -30.147 -7.034 -13.630 1.00 150.61 ? 101 UNL i C23 1 +HETATM 60067 C C24 . UNL LI 30 . ? -29.556 -8.425 -13.731 1.00 147.34 ? 101 UNL i C24 1 +HETATM 60068 C C25 . UNL LI 30 . ? -29.199 -8.943 -12.346 1.00 112.92 ? 101 UNL i C25 1 +HETATM 60069 C C26 . UNL LI 30 . ? -28.536 -7.858 -11.507 1.00 110.09 ? 101 UNL i C26 1 +HETATM 60070 C C27 . UNL LI 30 . ? -27.249 -7.350 -12.146 1.00 113.73 ? 101 UNL i C27 1 +HETATM 60071 C C28 . UNL LI 30 . ? -26.361 -6.794 -11.048 1.00 101.41 ? 101 UNL i C28 1 +HETATM 60072 C C29 . UNL LI 30 . ? -26.390 -7.758 -9.874 1.00 87.78 ? 101 UNL i C29 1 +HETATM 60073 C C30 . UNL LI 30 . ? -25.355 -7.373 -8.831 1.00 92.10 ? 101 UNL i C30 1 +HETATM 60074 C C31 . UNL LI 30 . ? -25.222 -8.476 -7.794 1.00 83.46 ? 101 UNL i C31 1 +HETATM 60075 C C32 . UNL LI 30 . ? -23.786 -8.516 -7.293 1.00 91.19 ? 101 UNL i C32 1 +HETATM 60076 C C33 . UNL LI 30 . ? -23.667 -9.455 -6.101 1.00 117.19 ? 101 UNL i C33 1 +HETATM 60077 C C34 . UNL LI 30 . ? -22.205 -9.744 -5.767 1.00 128.56 ? 101 UNL i C34 1 +HETATM 60078 C C35 . UNL LI 30 . ? -22.047 -10.303 -4.351 1.00 117.23 ? 101 UNL i C35 1 +HETATM 60079 C C36 . UNL LI 30 . ? -20.648 -10.891 -4.185 1.00 113.23 ? 101 UNL i C36 1 +HETATM 60080 C C37 . UNL LI 30 . ? -20.117 -10.764 -2.761 1.00 116.26 ? 101 UNL i C37 1 +HETATM 60081 C C38 . UNL LI 30 . ? -18.644 -11.106 -2.738 1.00 96.46 ? 101 UNL i C38 1 +HETATM 60082 C C4 . UNL LI 30 . ? -29.420 -5.670 -17.885 1.00 150.36 ? 101 UNL i C4 1 +HETATM 60083 C C5 . UNL LI 30 . ? -28.798 -5.106 -16.610 1.00 160.39 ? 101 UNL i C5 1 +HETATM 60084 C C6 . UNL LI 30 . ? -28.723 -6.231 -15.572 1.00 159.41 ? 101 UNL i C6 1 +HETATM 60085 C C7 . UNL LI 30 . ? -27.392 -3.201 -17.213 1.00 139.81 ? 101 UNL i C7 1 +HETATM 60086 C C8 . UNL LI 30 . ? -26.453 -2.335 -16.413 1.00 119.53 ? 101 UNL i C8 1 +HETATM 60087 C C9 . UNL LI 30 . ? -26.309 -2.944 -15.021 1.00 116.12 ? 101 UNL i C9 1 +HETATM 60088 O O10 . UNL LI 30 . ? -31.018 -6.768 -12.803 1.00 127.61 ? 101 UNL i O10 1 +HETATM 60089 O O6 . UNL LI 30 . ? -30.611 -4.947 -18.200 1.00 162.57 ? 101 UNL i O6 1 +HETATM 60090 O O7 . UNL LI 30 . ? -27.481 -4.624 -16.893 1.00 149.32 ? 101 UNL i O7 1 +HETATM 60091 O O8 . UNL LI 30 . ? -29.681 -5.986 -14.534 1.00 171.78 ? 101 UNL i O8 1 +HETATM 60092 O O9 . UNL LI 30 . ? -28.041 -2.718 -18.129 1.00 145.09 ? 101 UNL i O9 1 +HETATM 60093 C C10 . UNL MI 30 . ? 6.787 41.562 14.186 1.00 93.59 ? 101 UNL j C10 1 +HETATM 60094 C C11 . UNL MI 30 . ? 6.381 40.848 15.480 1.00 85.23 ? 101 UNL j C11 1 +HETATM 60095 C C12 . UNL MI 30 . ? 7.560 40.053 16.057 1.00 103.62 ? 101 UNL j C12 1 +HETATM 60096 C C13 . UNL MI 30 . ? 7.169 38.946 17.047 1.00 101.49 ? 101 UNL j C13 1 +HETATM 60097 C C14 . UNL MI 30 . ? 8.298 37.913 17.186 1.00 106.70 ? 101 UNL j C14 1 +HETATM 60098 C C15 . UNL MI 30 . ? 7.970 36.765 18.140 1.00 103.83 ? 101 UNL j C15 1 +HETATM 60099 C C16 . UNL MI 30 . ? 9.126 35.770 18.255 1.00 93.15 ? 101 UNL j C16 1 +HETATM 60100 C C7 . UNL MI 30 . ? 5.184 44.205 11.909 1.00 80.30 ? 101 UNL j C7 1 +HETATM 60101 C C8 . UNL MI 30 . ? 6.168 43.133 12.334 1.00 89.62 ? 101 UNL j C8 1 +HETATM 60102 C C9 . UNL MI 30 . ? 5.626 42.236 13.447 1.00 89.26 ? 101 UNL j C9 1 +HETATM 60103 MG MG . MG NI 39 . ? 14.567 44.434 6.151 1.00 62.20 ? 102 MG j MG 1 +HETATM 60104 C C1 . BCR OI 25 . ? -8.973 49.163 28.081 1.00 81.30 ? 101 BCR k C1 1 +HETATM 60105 C C2 . BCR OI 25 . ? -9.580 50.009 26.969 1.00 74.25 ? 101 BCR k C2 1 +HETATM 60106 C C3 . BCR OI 25 . ? -11.036 49.647 26.755 1.00 82.40 ? 101 BCR k C3 1 +HETATM 60107 C C4 . BCR OI 25 . ? -11.805 49.978 28.019 1.00 83.57 ? 101 BCR k C4 1 +HETATM 60108 C C5 . BCR OI 25 . ? -11.249 49.189 29.171 1.00 73.92 ? 101 BCR k C5 1 +HETATM 60109 C C6 . BCR OI 25 . ? -9.948 48.815 29.200 1.00 77.44 ? 101 BCR k C6 1 +HETATM 60110 C C7 . BCR OI 25 . ? -9.334 48.028 30.307 1.00 75.93 ? 101 BCR k C7 1 +HETATM 60111 C C8 . BCR OI 25 . ? -9.767 46.823 30.724 1.00 74.43 ? 101 BCR k C8 1 +HETATM 60112 C C9 . BCR OI 25 . ? -9.059 46.082 31.796 1.00 84.46 ? 101 BCR k C9 1 +HETATM 60113 C C10 . BCR OI 25 . ? -9.265 44.760 31.874 1.00 75.08 ? 101 BCR k C10 1 +HETATM 60114 C C11 . BCR OI 25 . ? -8.580 43.880 32.818 1.00 78.29 ? 101 BCR k C11 1 +HETATM 60115 C C33 . BCR OI 25 . ? -12.236 48.866 30.258 1.00 81.63 ? 101 BCR k C33 1 +HETATM 60116 C C31 . BCR OI 25 . ? -7.772 49.896 28.665 1.00 86.25 ? 101 BCR k C31 1 +HETATM 60117 C C32 . BCR OI 25 . ? -8.477 47.858 27.472 1.00 81.46 ? 101 BCR k C32 1 +HETATM 60118 C C34 . BCR OI 25 . ? -8.121 46.775 32.752 1.00 75.04 ? 101 BCR k C34 1 +HETATM 60119 C C12 . BCR OI 25 . ? -8.698 42.565 32.600 1.00 81.75 ? 101 BCR k C12 1 +HETATM 60120 C C13 . BCR OI 25 . ? -7.999 41.538 33.401 1.00 87.80 ? 101 BCR k C13 1 +HETATM 60121 C C14 . BCR OI 25 . ? -8.057 40.246 33.005 1.00 73.44 ? 101 BCR k C14 1 +HETATM 60122 C C15 . BCR OI 25 . ? -7.342 39.155 33.677 1.00 72.80 ? 101 BCR k C15 1 +HETATM 60123 C C16 . BCR OI 25 . ? -7.503 37.881 33.290 1.00 76.45 ? 101 BCR k C16 1 +HETATM 60124 C C17 . BCR OI 25 . ? -6.739 36.805 33.922 1.00 65.17 ? 101 BCR k C17 1 +HETATM 60125 C C18 . BCR OI 25 . ? -6.865 35.490 33.640 1.00 85.80 ? 101 BCR k C18 1 +HETATM 60126 C C19 . BCR OI 25 . ? -5.960 34.574 34.370 1.00 72.88 ? 101 BCR k C19 1 +HETATM 60127 C C20 . BCR OI 25 . ? -5.760 33.302 34.036 1.00 70.07 ? 101 BCR k C20 1 +HETATM 60128 C C21 . BCR OI 25 . ? -4.790 32.538 34.831 1.00 69.56 ? 101 BCR k C21 1 +HETATM 60129 C C22 . BCR OI 25 . ? -4.261 31.367 34.416 1.00 76.40 ? 101 BCR k C22 1 +HETATM 60130 C C23 . BCR OI 25 . ? -3.351 30.747 35.189 1.00 64.00 ? 101 BCR k C23 1 +HETATM 60131 C C24 . BCR OI 25 . ? -2.818 29.566 34.855 1.00 67.47 ? 101 BCR k C24 1 +HETATM 60132 C C25 . BCR OI 25 . ? -1.806 28.845 35.668 1.00 63.21 ? 101 BCR k C25 1 +HETATM 60133 C C26 . BCR OI 25 . ? -2.123 28.260 36.837 1.00 71.61 ? 101 BCR k C26 1 +HETATM 60134 C C27 . BCR OI 25 . ? -1.109 27.492 37.661 1.00 62.93 ? 101 BCR k C27 1 +HETATM 60135 C C28 . BCR OI 25 . ? 0.319 27.926 37.366 1.00 69.17 ? 101 BCR k C28 1 +HETATM 60136 C C29 . BCR OI 25 . ? 0.586 27.925 35.869 1.00 76.17 ? 101 BCR k C29 1 +HETATM 60137 C C30 . BCR OI 25 . ? -0.410 28.776 35.086 1.00 79.41 ? 101 BCR k C30 1 +HETATM 60138 C C35 . BCR OI 25 . ? -7.183 41.964 34.587 1.00 80.59 ? 101 BCR k C35 1 +HETATM 60139 C C36 . BCR OI 25 . ? -7.847 34.978 32.617 1.00 60.64 ? 101 BCR k C36 1 +HETATM 60140 C C37 . BCR OI 25 . ? -4.676 30.752 33.098 1.00 69.00 ? 101 BCR k C37 1 +HETATM 60141 C C38 . BCR OI 25 . ? -3.519 28.320 37.389 1.00 63.61 ? 101 BCR k C38 1 +HETATM 60142 C C39 . BCR OI 25 . ? -0.565 28.152 33.705 1.00 75.42 ? 101 BCR k C39 1 +HETATM 60143 C C40 . BCR OI 25 . ? 0.154 30.180 34.947 1.00 59.61 ? 101 BCR k C40 1 +HETATM 60144 C C1 A GOL PI 27 . ? 13.610 -18.633 12.906 0.40 111.12 ? 801 GOL l C1 1 +HETATM 60145 C C1 B GOL PI 27 . ? 13.480 -18.627 12.988 0.60 111.40 ? 801 GOL l C1 1 +HETATM 60146 O O1 A GOL PI 27 . ? 12.918 -17.931 13.913 0.40 105.36 ? 801 GOL l O1 1 +HETATM 60147 O O1 B GOL PI 27 . ? 12.833 -17.880 13.987 0.60 105.57 ? 801 GOL l O1 1 +HETATM 60148 C C2 A GOL PI 27 . ? 13.899 -17.624 11.731 0.40 107.27 ? 801 GOL l C2 1 +HETATM 60149 C C2 B GOL PI 27 . ? 13.886 -17.631 11.849 0.60 107.87 ? 801 GOL l C2 1 +HETATM 60150 O O2 A GOL PI 27 . ? 14.932 -18.067 10.885 0.40 104.01 ? 801 GOL l O2 1 +HETATM 60151 O O2 B GOL PI 27 . ? 14.978 -18.100 11.107 0.60 105.42 ? 801 GOL l O2 1 +HETATM 60152 C C3 A GOL PI 27 . ? 12.545 -17.500 10.973 0.40 95.67 ? 801 GOL l C3 1 +HETATM 60153 C C3 B GOL PI 27 . ? 12.612 -17.497 10.973 0.60 95.86 ? 801 GOL l C3 1 +HETATM 60154 O O3 A GOL PI 27 . ? 12.535 -16.271 10.321 0.40 73.48 ? 801 GOL l O3 1 +HETATM 60155 O O3 B GOL PI 27 . ? 12.660 -16.249 10.340 0.60 73.35 ? 801 GOL l O3 1 +HETATM 60156 C C1 . LMG QI 33 . ? 21.107 -3.462 -29.019 1.00 76.94 ? 101 LMG m C1 1 +HETATM 60157 O O1 . LMG QI 33 . ? 21.633 -3.039 -27.780 1.00 80.02 ? 101 LMG m O1 1 +HETATM 60158 C C2 . LMG QI 33 . ? 19.864 -2.619 -29.281 1.00 82.12 ? 101 LMG m C2 1 +HETATM 60159 O O2 . LMG QI 33 . ? 18.861 -2.927 -28.302 1.00 82.99 ? 101 LMG m O2 1 +HETATM 60160 C C3 . LMG QI 33 . ? 19.298 -2.949 -30.649 1.00 86.75 ? 101 LMG m C3 1 +HETATM 60161 O O3 . LMG QI 33 . ? 18.275 -1.984 -30.921 1.00 72.32 ? 101 LMG m O3 1 +HETATM 60162 C C4 . LMG QI 33 . ? 20.405 -2.891 -31.699 1.00 80.95 ? 101 LMG m C4 1 +HETATM 60163 O O4 . LMG QI 33 . ? 20.806 -1.524 -31.849 1.00 76.62 ? 101 LMG m O4 1 +HETATM 60164 C C5 . LMG QI 33 . ? 21.659 -3.680 -31.325 1.00 83.04 ? 101 LMG m C5 1 +HETATM 60165 O O5 . LMG QI 33 . ? 23.943 -4.204 -31.905 1.00 73.91 ? 101 LMG m O5 1 +HETATM 60166 C C6 . LMG QI 33 . ? 22.789 -3.470 -32.334 1.00 76.85 ? 101 LMG m C6 1 +HETATM 60167 O O6 . LMG QI 33 . ? 22.113 -3.305 -30.023 1.00 74.32 ? 101 LMG m O6 1 +HETATM 60168 C C7 . LMG QI 33 . ? 22.136 -4.148 -27.061 1.00 72.38 ? 101 LMG m C7 1 +HETATM 60169 C C8 . LMG QI 33 . ? 21.691 -3.951 -25.633 1.00 64.99 ? 101 LMG m C8 1 +HETATM 60170 C C9 . LMG QI 33 . ? 20.233 -4.400 -25.517 1.00 74.50 ? 101 LMG m C9 1 +HETATM 60171 O O7 . LMG QI 33 . ? 22.513 -4.760 -24.796 1.00 92.25 ? 101 LMG m O7 1 +HETATM 60172 C C10 . LMG QI 33 . ? 23.715 -4.071 -24.391 1.00 65.15 ? 101 LMG m C10 1 +HETATM 60173 O O9 . LMG QI 33 . ? 24.346 -3.437 -25.222 1.00 85.40 ? 101 LMG m O9 1 +HETATM 60174 C C11 . LMG QI 33 . ? 24.169 -4.140 -22.965 1.00 72.32 ? 101 LMG m C11 1 +HETATM 60175 C C12 . LMG QI 33 . ? 25.629 -4.535 -22.987 1.00 64.59 ? 101 LMG m C12 1 +HETATM 60176 C C13 . LMG QI 33 . ? 26.235 -4.248 -21.629 1.00 67.53 ? 101 LMG m C13 1 +HETATM 60177 C C14 . LMG QI 33 . ? 26.659 -2.790 -21.573 1.00 63.73 ? 101 LMG m C14 1 +HETATM 60178 C C15 . LMG QI 33 . ? 26.998 -2.391 -20.141 1.00 67.05 ? 101 LMG m C15 1 +HETATM 60179 C C16 . LMG QI 33 . ? 27.639 -1.005 -20.143 1.00 75.12 ? 101 LMG m C16 1 +HETATM 60180 C C17 . LMG QI 33 . ? 27.157 -0.193 -18.947 1.00 67.72 ? 101 LMG m C17 1 +HETATM 60181 C C18 . LMG QI 33 . ? 27.733 -0.720 -17.647 1.00 71.75 ? 101 LMG m C18 1 +HETATM 60182 C C19 . LMG QI 33 . ? 26.922 -0.120 -16.519 1.00 64.40 ? 101 LMG m C19 1 +HETATM 60183 C C20 . LMG QI 33 . ? 27.142 -0.870 -15.221 1.00 64.71 ? 101 LMG m C20 1 +HETATM 60184 C C21 . LMG QI 33 . ? 26.166 -0.329 -14.190 1.00 71.39 ? 101 LMG m C21 1 +HETATM 60185 C C22 . LMG QI 33 . ? 26.232 -1.115 -12.891 1.00 74.36 ? 101 LMG m C22 1 +HETATM 60186 C C23 . LMG QI 33 . ? 25.143 -0.623 -11.943 1.00 74.02 ? 101 LMG m C23 1 +HETATM 60187 C C24 . LMG QI 33 . ? 25.430 -1.087 -10.527 1.00 72.87 ? 101 LMG m C24 1 +HETATM 60188 C C25 . LMG QI 33 . ? 24.243 -0.830 -9.630 1.00 78.05 ? 101 LMG m C25 1 +HETATM 60189 O O8 . LMG QI 33 . ? 19.844 -4.226 -24.147 1.00 93.14 ? 101 LMG m O8 1 +HETATM 60190 C C28 . LMG QI 33 . ? 18.486 -4.504 -23.717 1.00 78.84 ? 101 LMG m C28 1 +HETATM 60191 O O10 . LMG QI 33 . ? 17.783 -5.182 -24.438 1.00 97.69 ? 101 LMG m O10 1 +HETATM 60192 C C29 . LMG QI 33 . ? 17.947 -3.964 -22.417 1.00 67.90 ? 101 LMG m C29 1 +HETATM 60193 C C30 . LMG QI 33 . ? 18.538 -4.715 -21.231 1.00 83.42 ? 101 LMG m C30 1 +HETATM 60194 C C31 . LMG QI 33 . ? 19.969 -4.263 -20.978 1.00 75.80 ? 101 LMG m C31 1 +HETATM 60195 C C32 . LMG QI 33 . ? 20.423 -4.683 -19.591 1.00 77.23 ? 101 LMG m C32 1 +HETATM 60196 C C33 . LMG QI 33 . ? 20.218 -6.166 -19.340 1.00 76.56 ? 101 LMG m C33 1 +HETATM 60197 C C34 . LMG QI 33 . ? 20.569 -6.465 -17.893 1.00 82.41 ? 101 LMG m C34 1 +HETATM 60198 C C35 . LMG QI 33 . ? 19.882 -7.727 -17.390 1.00 65.21 ? 101 LMG m C35 1 +HETATM 60199 C C36 . LMG QI 33 . ? 20.264 -8.879 -18.279 1.00 77.77 ? 101 LMG m C36 1 +HETATM 60200 C C37 . LMG QI 33 . ? 19.708 -10.162 -17.694 1.00 84.75 ? 101 LMG m C37 1 +HETATM 60201 C C38 . LMG QI 33 . ? 20.820 -10.963 -17.040 1.00 86.01 ? 101 LMG m C38 1 +HETATM 60202 C C39 . LMG QI 33 . ? 21.774 -11.443 -18.120 1.00 87.27 ? 101 LMG m C39 1 +HETATM 60203 C C40 . LMG QI 33 . ? 22.101 -12.903 -17.859 1.00 104.82 ? 101 LMG m C40 1 +HETATM 60204 C C41 . LMG QI 33 . ? 23.464 -13.030 -17.204 1.00 98.12 ? 101 LMG m C41 1 +HETATM 60205 C C42 . LMG QI 33 . ? 23.329 -13.869 -15.950 1.00 115.25 ? 101 LMG m C42 1 +HETATM 60206 C C43 . LMG QI 33 . ? 22.614 -13.058 -14.889 1.00 115.06 ? 101 LMG m C43 1 +HETATM 60207 C C10 . UNL RI 30 . ? 10.334 -27.190 -1.397 1.00 74.72 ? 102 UNL m C10 1 +HETATM 60208 C C11 . UNL RI 30 . ? 10.912 -26.755 -2.743 1.00 73.23 ? 102 UNL m C11 1 +HETATM 60209 C C12 . UNL RI 30 . ? 10.454 -25.346 -3.122 1.00 85.47 ? 102 UNL m C12 1 +HETATM 60210 C C13 . UNL RI 30 . ? 11.016 -24.851 -4.457 1.00 75.51 ? 102 UNL m C13 1 +HETATM 60211 C C14 . UNL RI 30 . ? 10.064 -23.872 -5.156 1.00 78.49 ? 102 UNL m C14 1 +HETATM 60212 C C15 . UNL RI 30 . ? 10.492 -23.545 -6.586 1.00 77.97 ? 102 UNL m C15 1 +HETATM 60213 C C16 . UNL RI 30 . ? 9.424 -22.784 -7.376 1.00 74.00 ? 102 UNL m C16 1 +HETATM 60214 C C7 . UNL RI 30 . ? 9.254 -30.643 0.035 1.00 86.26 ? 102 UNL m C7 1 +HETATM 60215 C C8 . UNL RI 30 . ? 9.494 -29.144 0.035 1.00 102.26 ? 102 UNL m C8 1 +HETATM 60216 C C9 . UNL RI 30 . ? 10.213 -28.710 -1.248 1.00 96.45 ? 102 UNL m C9 1 +HETATM 60217 C C1B . LMT SI 31 . ? 15.230 -34.818 4.060 1.00 102.50 ? 103 LMT m C1B 1 +HETATM 60218 C C2B . LMT SI 31 . ? 15.509 -34.211 5.471 1.00 90.09 ? 103 LMT m C2B 1 +HETATM 60219 C C3B . LMT SI 31 . ? 17.026 -34.095 5.751 1.00 89.43 ? 103 LMT m C3B 1 +HETATM 60220 C C4B . LMT SI 31 . ? 17.721 -35.456 5.487 1.00 109.90 ? 103 LMT m C4B 1 +HETATM 60221 C C5B . LMT SI 31 . ? 17.362 -35.831 4.029 1.00 106.39 ? 103 LMT m C5B 1 +HETATM 60222 C C6B . LMT SI 31 . ? 18.124 -37.075 3.559 1.00 96.55 ? 103 LMT m C6B 1 +HETATM 60223 O O1B . LMT SI 31 . ? 15.545 -33.904 3.049 1.00 96.73 ? 103 LMT m O1B 1 +HETATM 60224 O O2B . LMT SI 31 . ? 14.916 -32.979 5.534 1.00 86.44 ? 103 LMT m O2B 1 +HETATM 60225 O O3B . LMT SI 31 . ? 17.299 -33.559 6.994 1.00 90.34 ? 103 LMT m O3B 1 +HETATM 60226 O "O4'" . LMT SI 31 . ? 19.093 -35.355 5.647 1.00 90.48 ? 103 LMT m "O4'" 1 +HETATM 60227 O O5B . LMT SI 31 . ? 15.962 -35.990 3.863 1.00 94.48 ? 103 LMT m O5B 1 +HETATM 60228 O O6B . LMT SI 31 . ? 18.804 -37.656 4.596 1.00 114.95 ? 103 LMT m O6B 1 +HETATM 60229 C "C1'" . LMT SI 31 . ? 13.996 -32.043 -0.359 1.00 90.00 ? 103 LMT m "C1'" 1 +HETATM 60230 C "C2'" . LMT SI 31 . ? 13.578 -31.393 0.991 1.00 125.45 ? 103 LMT m "C2'" 1 +HETATM 60231 C "C3'" . LMT SI 31 . ? 14.304 -32.016 2.249 1.00 100.13 ? 103 LMT m "C3'" 1 +HETATM 60232 C "C4'" . LMT SI 31 . ? 14.530 -33.537 2.137 1.00 97.40 ? 103 LMT m "C4'" 1 +HETATM 60233 C "C5'" . LMT SI 31 . ? 15.058 -33.760 0.709 1.00 101.11 ? 103 LMT m "C5'" 1 +HETATM 60234 C "C6'" . LMT SI 31 . ? 15.580 -35.154 0.455 1.00 90.39 ? 103 LMT m "C6'" 1 +HETATM 60235 O "O1'" . LMT SI 31 . ? 13.059 -31.798 -1.326 1.00 88.11 ? 103 LMT m "O1'" 1 +HETATM 60236 O "O2'" . LMT SI 31 . ? 13.856 -30.019 0.927 1.00 93.07 ? 103 LMT m "O2'" 1 +HETATM 60237 O "O3'" . LMT SI 31 . ? 13.600 -31.772 3.401 1.00 98.21 ? 103 LMT m "O3'" 1 +HETATM 60238 O "O5'" . LMT SI 31 . ? 14.052 -33.442 -0.217 1.00 91.05 ? 103 LMT m "O5'" 1 +HETATM 60239 O "O6'" . LMT SI 31 . ? 15.798 -35.231 -0.895 1.00 66.33 ? 103 LMT m "O6'" 1 +HETATM 60240 C C1 . LMT SI 31 . ? 13.540 -31.861 -2.670 1.00 83.53 ? 103 LMT m C1 1 +HETATM 60241 C C2 . LMT SI 31 . ? 12.819 -30.744 -3.387 1.00 77.45 ? 103 LMT m C2 1 +HETATM 60242 C C3 . LMT SI 31 . ? 13.008 -30.652 -4.862 1.00 66.99 ? 103 LMT m C3 1 +HETATM 60243 C C4 . LMT SI 31 . ? 12.157 -29.517 -5.390 1.00 77.81 ? 103 LMT m C4 1 +HETATM 60244 C C5 . LMT SI 31 . ? 12.340 -29.368 -6.869 1.00 74.00 ? 103 LMT m C5 1 +HETATM 60245 C C6 . LMT SI 31 . ? 11.726 -28.117 -7.416 1.00 81.96 ? 103 LMT m C6 1 +HETATM 60246 C C7 . LMT SI 31 . ? 12.262 -27.876 -8.794 1.00 67.74 ? 103 LMT m C7 1 +HETATM 60247 C C8 . LMT SI 31 . ? 11.764 -26.575 -9.314 1.00 82.68 ? 103 LMT m C8 1 +HETATM 60248 C C9 . LMT SI 31 . ? 12.035 -26.351 -10.784 1.00 78.86 ? 103 LMT m C9 1 +HETATM 60249 C C10 . LMT SI 31 . ? 12.535 -24.931 -10.932 1.00 98.16 ? 103 LMT m C10 1 +HETATM 60250 C C11 . LMT SI 31 . ? 12.382 -24.401 -12.328 1.00 95.61 ? 103 LMT m C11 1 +HETATM 60251 C C12 . LMT SI 31 . ? 12.314 -22.898 -12.347 1.00 97.68 ? 103 LMT m C12 1 +HETATM 60252 CA CA . CA TI 36 . ? -46.677 14.316 -38.913 1.00 103.71 ? 301 CA o CA 1 +HETATM 60253 C C1 . GOL UI 27 . ? -38.104 20.406 -19.080 1.00 102.90 ? 302 GOL o C1 1 +HETATM 60254 O O1 . GOL UI 27 . ? -38.140 20.315 -17.699 1.00 110.54 ? 302 GOL o O1 1 +HETATM 60255 C C2 . GOL UI 27 . ? -37.320 21.705 -19.401 1.00 112.04 ? 302 GOL o C2 1 +HETATM 60256 O O2 . GOL UI 27 . ? -37.096 21.867 -20.765 1.00 84.04 ? 302 GOL o O2 1 +HETATM 60257 C C3 . GOL UI 27 . ? -38.152 22.870 -18.762 1.00 116.98 ? 302 GOL o C3 1 +HETATM 60258 O O3 . GOL UI 27 . ? -37.981 24.031 -19.574 1.00 102.17 ? 302 GOL o O3 1 +HETATM 60259 C C1 . GOL VI 27 . ? 11.057 22.846 -31.862 1.00 91.01 ? 303 GOL o C1 1 +HETATM 60260 O O1 . GOL VI 27 . ? 12.245 22.213 -32.369 1.00 91.15 ? 303 GOL o O1 1 +HETATM 60261 C C2 . GOL VI 27 . ? 10.127 23.246 -33.097 1.00 110.66 ? 303 GOL o C2 1 +HETATM 60262 O O2 . GOL VI 27 . ? 9.339 22.194 -33.601 1.00 82.69 ? 303 GOL o O2 1 +HETATM 60263 C C3 . GOL VI 27 . ? 9.245 24.406 -32.572 1.00 102.26 ? 303 GOL o C3 1 +HETATM 60264 O O3 . GOL VI 27 . ? 7.958 24.187 -33.116 1.00 95.58 ? 303 GOL o O3 1 +HETATM 60265 C C1B . LMT WI 31 . ? 1.661 -8.875 -32.875 1.00 144.41 ? 101 LMT t C1B 1 +HETATM 60266 O O1B . LMT WI 31 . ? 2.722 -9.201 -32.020 1.00 163.90 ? 101 LMT t O1B 1 +HETATM 60267 O O5B . LMT WI 31 . ? 1.830 -9.458 -34.138 1.00 136.17 ? 101 LMT t O5B 1 +HETATM 60268 C "C1'" . LMT WI 31 . ? 3.201 -12.038 -28.897 1.00 137.59 ? 101 LMT t "C1'" 1 +HETATM 60269 C "C2'" . LMT WI 31 . ? 2.995 -12.535 -30.360 1.00 123.01 ? 101 LMT t "C2'" 1 +HETATM 60270 C "C3'" . LMT WI 31 . ? 3.360 -11.422 -31.376 1.00 130.11 ? 101 LMT t "C3'" 1 +HETATM 60271 C "C4'" . LMT WI 31 . ? 2.492 -10.214 -31.057 1.00 150.12 ? 101 LMT t "C4'" 1 +HETATM 60272 C "C5'" . LMT WI 31 . ? 3.060 -9.813 -29.683 1.00 148.87 ? 101 LMT t "C5'" 1 +HETATM 60273 C "C6'" . LMT WI 31 . ? 2.754 -8.403 -29.254 1.00 144.87 ? 101 LMT t "C6'" 1 +HETATM 60274 O "O1'" . LMT WI 31 . ? 2.557 -12.866 -28.005 1.00 129.80 ? 101 LMT t "O1'" 1 +HETATM 60275 O "O2'" . LMT WI 31 . ? 3.811 -13.608 -30.605 1.00 131.73 ? 101 LMT t "O2'" 1 +HETATM 60276 O "O3'" . LMT WI 31 . ? 3.169 -11.816 -32.668 1.00 139.35 ? 101 LMT t "O3'" 1 +HETATM 60277 O "O5'" . LMT WI 31 . ? 2.621 -10.735 -28.704 1.00 142.04 ? 101 LMT t "O5'" 1 +HETATM 60278 O "O6'" . LMT WI 31 . ? 2.689 -8.442 -27.889 1.00 105.31 ? 101 LMT t "O6'" 1 +HETATM 60279 C C1 . LMT WI 31 . ? 3.137 -14.138 -27.760 1.00 97.57 ? 101 LMT t C1 1 +HETATM 60280 C C2 . LMT WI 31 . ? 3.248 -14.190 -26.275 1.00 91.08 ? 101 LMT t C2 1 +HETATM 60281 C C3 . LMT WI 31 . ? 4.465 -14.834 -25.717 1.00 78.19 ? 101 LMT t C3 1 +HETATM 60282 C C4 . LMT WI 31 . ? 4.334 -14.720 -24.228 1.00 82.21 ? 101 LMT t C4 1 +HETATM 60283 C C5 . LMT WI 31 . ? 5.659 -14.922 -23.586 1.00 90.34 ? 101 LMT t C5 1 +HETATM 60284 C C6 . LMT WI 31 . ? 5.538 -15.264 -22.134 1.00 88.06 ? 101 LMT t C6 1 +HETATM 60285 C C7 . LMT WI 31 . ? 5.956 -14.081 -21.309 1.00 91.49 ? 101 LMT t C7 1 +HETATM 60286 C C8 . LMT WI 31 . ? 6.085 -14.496 -19.876 1.00 81.48 ? 101 LMT t C8 1 +HETATM 60287 C C9 . LMT WI 31 . ? 7.163 -15.497 -19.638 1.00 97.78 ? 101 LMT t C9 1 +HETATM 60288 C C10 . LMT WI 31 . ? 7.838 -15.137 -18.347 1.00 101.78 ? 101 LMT t C10 1 +HETATM 60289 C C11 . LMT WI 31 . ? 8.496 -13.794 -18.422 1.00 80.89 ? 101 LMT t C11 1 +HETATM 60290 C C12 . LMT WI 31 . ? 9.104 -13.429 -17.096 1.00 87.12 ? 101 LMT t C12 1 +HETATM 60291 C C1 . BCR XI 25 . ? -2.410 -13.149 1.520 1.00 66.33 ? 102 BCR t C1 1 +HETATM 60292 C C2 . BCR XI 25 . ? -2.373 -12.390 2.843 1.00 80.68 ? 102 BCR t C2 1 +HETATM 60293 C C3 . BCR XI 25 . ? -3.754 -12.068 3.383 1.00 76.37 ? 102 BCR t C3 1 +HETATM 60294 C C4 . BCR XI 25 . ? -4.501 -13.356 3.647 1.00 64.84 ? 102 BCR t C4 1 +HETATM 60295 C C5 . BCR XI 25 . ? -4.462 -14.257 2.428 1.00 78.59 ? 102 BCR t C5 1 +HETATM 60296 C C6 . BCR XI 25 . ? -3.529 -14.181 1.464 1.00 68.32 ? 102 BCR t C6 1 +HETATM 60297 C C7 . BCR XI 25 . ? -3.648 -15.171 0.349 1.00 76.11 ? 102 BCR t C7 1 +HETATM 60298 C C8 . BCR XI 25 . ? -3.076 -15.061 -0.857 1.00 71.66 ? 102 BCR t C8 1 +HETATM 60299 C C9 . BCR XI 25 . ? -3.231 -16.075 -1.914 1.00 67.67 ? 102 BCR t C9 1 +HETATM 60300 C C10 . BCR XI 25 . ? -2.420 -16.014 -2.989 1.00 71.92 ? 102 BCR t C10 1 +HETATM 60301 C C11 . BCR XI 25 . ? -2.501 -16.948 -4.123 1.00 66.28 ? 102 BCR t C11 1 +HETATM 60302 C C33 . BCR XI 25 . ? -5.530 -15.303 2.308 1.00 71.27 ? 102 BCR t C33 1 +HETATM 60303 C C31 . BCR XI 25 . ? -1.050 -13.822 1.376 1.00 65.46 ? 102 BCR t C31 1 +HETATM 60304 C C32 . BCR XI 25 . ? -2.612 -12.116 0.412 1.00 89.83 ? 102 BCR t C32 1 +HETATM 60305 C C34 . BCR XI 25 . ? -4.274 -17.148 -1.774 1.00 63.70 ? 102 BCR t C34 1 +HETATM 60306 C C12 . BCR XI 25 . ? -1.811 -16.605 -5.217 1.00 71.18 ? 102 BCR t C12 1 +HETATM 60307 C C13 . BCR XI 25 . ? -1.806 -17.358 -6.496 1.00 83.64 ? 102 BCR t C13 1 +HETATM 60308 C C14 . BCR XI 25 . ? -1.089 -16.816 -7.503 1.00 57.02 ? 102 BCR t C14 1 +HETATM 60309 C C15 . BCR XI 25 . ? -1.001 -17.284 -8.885 1.00 55.24 ? 102 BCR t C15 1 +HETATM 60310 C C16 . BCR XI 25 . ? 0.045 -17.191 -9.719 1.00 65.36 ? 102 BCR t C16 1 +HETATM 60311 C C17 . BCR XI 25 . ? -0.167 -17.609 -11.119 1.00 53.16 ? 102 BCR t C17 1 +HETATM 60312 C C18 . BCR XI 25 . ? 0.746 -17.498 -12.106 1.00 55.96 ? 102 BCR t C18 1 +HETATM 60313 C C19 . BCR XI 25 . ? 0.328 -17.860 -13.477 1.00 52.26 ? 102 BCR t C19 1 +HETATM 60314 C C20 . BCR XI 25 . ? 1.099 -17.841 -14.569 1.00 55.76 ? 102 BCR t C20 1 +HETATM 60315 C C21 . BCR XI 25 . ? 0.398 -18.127 -15.821 1.00 47.28 ? 102 BCR t C21 1 +HETATM 60316 C C22 . BCR XI 25 . ? 0.909 -17.885 -17.045 1.00 57.79 ? 102 BCR t C22 1 +HETATM 60317 C C23 . BCR XI 25 . ? 0.134 -18.133 -18.131 1.00 59.74 ? 102 BCR t C23 1 +HETATM 60318 C C24 . BCR XI 25 . ? 0.466 -17.875 -19.415 1.00 58.83 ? 102 BCR t C24 1 +HETATM 60319 C C25 . BCR XI 25 . ? -0.404 -18.128 -20.616 1.00 49.79 ? 102 BCR t C25 1 +HETATM 60320 C C26 . BCR XI 25 . ? -1.103 -19.280 -20.793 1.00 57.55 ? 102 BCR t C26 1 +HETATM 60321 C C27 . BCR XI 25 . ? -1.978 -19.509 -22.012 1.00 55.95 ? 102 BCR t C27 1 +HETATM 60322 C C28 . BCR XI 25 . ? -2.491 -18.185 -22.533 1.00 59.17 ? 102 BCR t C28 1 +HETATM 60323 C C29 . BCR XI 25 . ? -1.275 -17.343 -22.889 1.00 51.77 ? 102 BCR t C29 1 +HETATM 60324 C C30 . BCR XI 25 . ? -0.460 -16.986 -21.647 1.00 60.22 ? 102 BCR t C30 1 +HETATM 60325 C C35 . BCR XI 25 . ? -2.569 -18.654 -6.639 1.00 72.59 ? 102 BCR t C35 1 +HETATM 60326 C C36 . BCR XI 25 . ? 2.118 -16.938 -11.847 1.00 49.36 ? 102 BCR t C36 1 +HETATM 60327 C C37 . BCR XI 25 . ? 2.304 -17.349 -17.195 1.00 53.37 ? 102 BCR t C37 1 +HETATM 60328 C C38 . BCR XI 25 . ? -1.076 -20.442 -19.826 1.00 48.76 ? 102 BCR t C38 1 +HETATM 60329 C C39 . BCR XI 25 . ? -1.040 -15.743 -20.971 1.00 48.50 ? 102 BCR t C39 1 +HETATM 60330 C C40 . BCR XI 25 . ? 0.938 -16.653 -22.162 1.00 44.93 ? 102 BCR t C40 1 +HETATM 60331 FE FE . HEC YI 40 . ? -8.670 50.277 -13.341 1.00 59.67 ? 201 HEC v FE 1 +HETATM 60332 C CHA . HEC YI 40 . ? -8.983 50.518 -16.699 1.00 55.43 ? 201 HEC v CHA 1 +HETATM 60333 C CHB . HEC YI 40 . ? -6.685 53.090 -13.282 1.00 64.73 ? 201 HEC v CHB 1 +HETATM 60334 C CHC . HEC YI 40 . ? -8.573 50.153 -9.956 1.00 62.68 ? 201 HEC v CHC 1 +HETATM 60335 C CHD . HEC YI 40 . ? -10.373 47.252 -13.370 1.00 53.72 ? 201 HEC v CHD 1 +HETATM 60336 N NA . HEC YI 40 . ? -8.011 51.583 -14.696 1.00 62.98 ? 201 HEC v NA 1 +HETATM 60337 C C1A . HEC YI 40 . ? -8.188 51.439 -16.056 1.00 58.58 ? 201 HEC v C1A 1 +HETATM 60338 C C2A . HEC YI 40 . ? -7.374 52.437 -16.721 1.00 67.47 ? 201 HEC v C2A 1 +HETATM 60339 C C3A . HEC YI 40 . ? -6.734 53.152 -15.781 1.00 65.66 ? 201 HEC v C3A 1 +HETATM 60340 C C4A . HEC YI 40 . ? -7.117 52.620 -14.493 1.00 70.01 ? 201 HEC v C4A 1 +HETATM 60341 C CMA . HEC YI 40 . ? -5.750 54.323 -15.987 1.00 56.24 ? 201 HEC v CMA 1 +HETATM 60342 C CAA . HEC YI 40 . ? -7.298 52.604 -18.250 1.00 55.47 ? 201 HEC v CAA 1 +HETATM 60343 C CBA . HEC YI 40 . ? -6.072 51.858 -18.754 1.00 65.76 ? 201 HEC v CBA 1 +HETATM 60344 C CGA . HEC YI 40 . ? -5.839 52.139 -20.224 1.00 66.82 ? 201 HEC v CGA 1 +HETATM 60345 O O1A . HEC YI 40 . ? -6.594 52.947 -20.834 1.00 69.71 ? 201 HEC v O1A 1 +HETATM 60346 O O2A . HEC YI 40 . ? -4.880 51.557 -20.798 1.00 75.55 ? 201 HEC v O2A 1 +HETATM 60347 N NB . HEC YI 40 . ? -7.807 51.427 -11.907 1.00 64.37 ? 201 HEC v NB 1 +HETATM 60348 C C1B . HEC YI 40 . ? -7.040 52.547 -12.079 1.00 64.10 ? 201 HEC v C1B 1 +HETATM 60349 C C2B . HEC YI 40 . ? -6.698 53.070 -10.777 1.00 54.42 ? 201 HEC v C2B 1 +HETATM 60350 C C3B . HEC YI 40 . ? -7.194 52.244 -9.848 1.00 60.27 ? 201 HEC v C3B 1 +HETATM 60351 C C4B . HEC YI 40 . ? -7.923 51.209 -10.545 1.00 61.05 ? 201 HEC v C4B 1 +HETATM 60352 C CMB . HEC YI 40 . ? -5.810 54.310 -10.588 1.00 59.32 ? 201 HEC v CMB 1 +HETATM 60353 C CAB . HEC YI 40 . ? -7.086 52.374 -8.300 1.00 57.62 ? 201 HEC v CAB 1 +HETATM 60354 C CBB . HEC YI 40 . ? -7.793 53.701 -7.902 1.00 63.95 ? 201 HEC v CBB 1 +HETATM 60355 N NC . HEC YI 40 . ? -9.323 48.934 -11.942 1.00 59.42 ? 201 HEC v NC 1 +HETATM 60356 C C1C . HEC YI 40 . ? -9.202 49.103 -10.582 1.00 66.75 ? 201 HEC v C1C 1 +HETATM 60357 C C2C . HEC YI 40 . ? -10.007 48.091 -9.913 1.00 61.71 ? 201 HEC v C2C 1 +HETATM 60358 C C3C . HEC YI 40 . ? -10.398 47.193 -10.845 1.00 58.03 ? 201 HEC v C3C 1 +HETATM 60359 C C4C . HEC YI 40 . ? -10.037 47.764 -12.139 1.00 66.95 ? 201 HEC v C4C 1 +HETATM 60360 C CMC . HEC YI 40 . ? -9.921 47.880 -8.387 1.00 55.05 ? 201 HEC v CMC 1 +HETATM 60361 C CAC . HEC YI 40 . ? -11.152 45.828 -10.645 1.00 64.42 ? 201 HEC v CAC 1 +HETATM 60362 C CBC . HEC YI 40 . ? -12.441 45.839 -9.794 1.00 59.62 ? 201 HEC v CBC 1 +HETATM 60363 N ND . HEC YI 40 . ? -9.509 49.022 -14.808 1.00 66.83 ? 201 HEC v ND 1 +HETATM 60364 C C1D . HEC YI 40 . ? -10.267 47.890 -14.574 1.00 55.84 ? 201 HEC v C1D 1 +HETATM 60365 C C2D . HEC YI 40 . ? -10.917 47.487 -15.807 1.00 65.68 ? 201 HEC v C2D 1 +HETATM 60366 C C3D . HEC YI 40 . ? -10.464 48.520 -16.844 1.00 62.92 ? 201 HEC v C3D 1 +HETATM 60367 C C4D . HEC YI 40 . ? -9.603 49.432 -16.135 1.00 67.67 ? 201 HEC v C4D 1 +HETATM 60368 C CMD . HEC YI 40 . ? -11.846 46.269 -16.045 1.00 50.22 ? 201 HEC v CMD 1 +HETATM 60369 C CAD . HEC YI 40 . ? -10.849 48.599 -18.325 1.00 59.80 ? 201 HEC v CAD 1 +HETATM 60370 C CBD . HEC YI 40 . ? -12.187 49.323 -18.352 1.00 61.61 ? 201 HEC v CBD 1 +HETATM 60371 C CGD . HEC YI 40 . ? -12.683 49.470 -19.772 1.00 64.23 ? 201 HEC v CGD 1 +HETATM 60372 O O1D . HEC YI 40 . ? -12.042 50.220 -20.556 1.00 66.02 ? 201 HEC v O1D 1 +HETATM 60373 O O2D . HEC YI 40 . ? -13.719 48.839 -20.113 1.00 63.94 ? 201 HEC v O2D 1 +HETATM 60374 C C1 A GOL ZI 27 . ? -0.582 38.054 -15.543 0.40 72.66 ? 202 GOL v C1 1 +HETATM 60375 C C1 B GOL ZI 27 . ? -0.457 37.939 -15.463 0.60 73.08 ? 202 GOL v C1 1 +HETATM 60376 O O1 A GOL ZI 27 . ? 0.159 37.427 -16.549 0.40 65.11 ? 202 GOL v O1 1 +HETATM 60377 O O1 B GOL ZI 27 . ? 0.113 37.338 -16.583 0.60 65.13 ? 202 GOL v O1 1 +HETATM 60378 C C2 A GOL ZI 27 . ? -1.437 36.980 -14.760 0.40 86.74 ? 202 GOL v C2 1 +HETATM 60379 C C2 B GOL ZI 27 . ? -1.315 36.863 -14.726 0.60 87.46 ? 202 GOL v C2 1 +HETATM 60380 O O2 A GOL ZI 27 . ? -2.463 37.605 -14.043 0.40 85.41 ? 202 GOL v O2 1 +HETATM 60381 O O2 B GOL ZI 27 . ? -2.422 37.447 -14.123 0.60 85.89 ? 202 GOL v O2 1 +HETATM 60382 C C3 A GOL ZI 27 . ? -0.421 36.254 -13.771 0.40 83.72 ? 202 GOL v C3 1 +HETATM 60383 C C3 B GOL ZI 27 . ? -0.338 36.215 -13.665 0.60 84.05 ? 202 GOL v C3 1 +HETATM 60384 O O3 A GOL ZI 27 . ? -1.165 35.425 -12.857 0.40 79.50 ? 202 GOL v O3 1 +HETATM 60385 O O3 B GOL ZI 27 . ? -1.090 35.364 -12.800 0.60 79.29 ? 202 GOL v O3 1 +HETATM 60386 C C10 . UNL AJ 30 . ? 47.010 33.739 0.181 1.00 103.47 ? 101 UNL x C10 1 +HETATM 60387 C C11 . UNL AJ 30 . ? 47.887 33.316 1.350 1.00 90.43 ? 101 UNL x C11 1 +HETATM 60388 C C12 . UNL AJ 30 . ? 47.407 31.997 1.930 1.00 88.96 ? 101 UNL x C12 1 +HETATM 60389 C C13 . UNL AJ 30 . ? 46.142 32.216 2.750 1.00 82.21 ? 101 UNL x C13 1 +HETATM 60390 C C14 . UNL AJ 30 . ? 45.934 31.051 3.708 1.00 77.04 ? 101 UNL x C14 1 +HETATM 60391 C C15 . UNL AJ 30 . ? 46.219 29.730 3.003 1.00 72.54 ? 101 UNL x C15 1 +HETATM 60392 C C16 . UNL AJ 30 . ? 46.214 28.575 3.986 1.00 73.93 ? 101 UNL x C16 1 +HETATM 60393 C C17 . UNL AJ 30 . ? 46.453 27.274 3.235 1.00 85.20 ? 101 UNL x C17 1 +HETATM 60394 C C18 . UNL AJ 30 . ? 46.361 26.089 4.183 1.00 69.78 ? 101 UNL x C18 1 +HETATM 60395 C C19 . UNL AJ 30 . ? 46.531 24.785 3.420 1.00 80.28 ? 101 UNL x C19 1 +HETATM 60396 C C20 . UNL AJ 30 . ? 46.471 23.602 4.391 1.00 81.32 ? 101 UNL x C20 1 +HETATM 60397 C C21 . UNL AJ 30 . ? 46.801 22.295 3.685 1.00 68.94 ? 101 UNL x C21 1 +HETATM 60398 C C22 . UNL AJ 30 . ? 46.757 21.139 4.667 1.00 84.50 ? 101 UNL x C22 1 +HETATM 60399 C C7 . UNL AJ 30 . ? 49.114 36.273 -1.254 1.00 141.92 ? 101 UNL x C7 1 +HETATM 60400 C C8 . UNL AJ 30 . ? 48.596 35.700 0.048 1.00 117.06 ? 101 UNL x C8 1 +HETATM 60401 C C9 . UNL AJ 30 . ? 47.156 35.226 -0.117 1.00 99.41 ? 101 UNL x C9 1 +HETATM 60402 O O7 . UNL AJ 30 . ? 50.297 37.127 -1.235 1.00 140.12 ? 101 UNL x O7 1 +HETATM 60403 O O9 . UNL AJ 30 . ? 48.564 36.024 -2.326 1.00 130.23 ? 101 UNL x O9 1 +HETATM 60404 C C1 . BCR BJ 25 . ? -3.470 44.893 32.495 1.00 100.94 ? 101 BCR y C1 1 +HETATM 60405 C C2 . BCR BJ 25 . ? -4.304 46.169 32.392 1.00 79.35 ? 101 BCR y C2 1 +HETATM 60406 C C3 . BCR BJ 25 . ? -4.764 46.382 30.963 1.00 86.05 ? 101 BCR y C3 1 +HETATM 60407 C C4 . BCR BJ 25 . ? -5.706 45.260 30.569 1.00 89.32 ? 101 BCR y C4 1 +HETATM 60408 C C5 . BCR BJ 25 . ? -5.215 43.903 31.033 1.00 80.39 ? 101 BCR y C5 1 +HETATM 60409 C C6 . BCR BJ 25 . ? -4.211 43.711 31.905 1.00 78.79 ? 101 BCR y C6 1 +HETATM 60410 C C7 . BCR BJ 25 . ? -3.843 42.304 32.253 1.00 74.67 ? 101 BCR y C7 1 +HETATM 60411 C C8 . BCR BJ 25 . ? -2.597 41.824 32.078 1.00 75.53 ? 101 BCR y C8 1 +HETATM 60412 C C9 . BCR BJ 25 . ? -2.148 40.421 32.333 1.00 72.85 ? 101 BCR y C9 1 +HETATM 60413 C C10 . BCR BJ 25 . ? -0.832 40.140 32.300 1.00 59.44 ? 101 BCR y C10 1 +HETATM 60414 C C11 . BCR BJ 25 . ? -0.267 38.794 32.460 1.00 64.16 ? 101 BCR y C11 1 +HETATM 60415 C C33 . BCR BJ 25 . ? -5.928 42.718 30.461 1.00 76.30 ? 101 BCR y C33 1 +HETATM 60416 C C31 . BCR BJ 25 . ? -3.149 44.627 33.965 1.00 72.92 ? 101 BCR y C31 1 +HETATM 60417 C C32 . BCR BJ 25 . ? -2.196 45.081 31.668 1.00 77.98 ? 101 BCR y C32 1 +HETATM 60418 C C34 . BCR BJ 25 . ? -3.140 39.320 32.553 1.00 61.28 ? 101 BCR y C34 1 +HETATM 60419 C C12 . BCR BJ 25 . ? 1.032 38.688 32.140 1.00 64.35 ? 101 BCR y C12 1 +HETATM 60420 C C13 . BCR BJ 25 . ? 1.817 37.432 32.132 1.00 70.08 ? 101 BCR y C13 1 +HETATM 60421 C C14 . BCR BJ 25 . ? 3.115 37.468 31.763 1.00 73.04 ? 101 BCR y C14 1 +HETATM 60422 C C15 . BCR BJ 25 . ? 3.945 36.259 31.667 1.00 66.38 ? 101 BCR y C15 1 +HETATM 60423 C C16 . BCR BJ 25 . ? 5.144 36.343 31.067 1.00 65.30 ? 101 BCR y C16 1 +HETATM 60424 C C17 . BCR BJ 25 . ? 5.997 35.160 30.922 1.00 63.29 ? 101 BCR y C17 1 +HETATM 60425 C C18 . BCR BJ 25 . ? 7.256 35.175 30.423 1.00 68.50 ? 101 BCR y C18 1 +HETATM 60426 C C19 . BCR BJ 25 . ? 7.976 33.883 30.314 1.00 66.28 ? 101 BCR y C19 1 +HETATM 60427 C C20 . BCR BJ 25 . ? 9.072 33.684 29.565 1.00 67.77 ? 101 BCR y C20 1 +HETATM 60428 C C21 . BCR BJ 25 . ? 9.618 32.324 29.571 1.00 62.85 ? 101 BCR y C21 1 +HETATM 60429 C C22 . BCR BJ 25 . ? 10.843 31.943 29.156 1.00 71.89 ? 101 BCR y C22 1 +HETATM 60430 C C23 . BCR BJ 25 . ? 11.156 30.636 29.284 1.00 60.68 ? 101 BCR y C23 1 +HETATM 60431 C C24 . BCR BJ 25 . ? 12.428 30.235 29.409 1.00 77.02 ? 101 BCR y C24 1 +HETATM 60432 C C25 . BCR BJ 25 . ? 12.801 28.811 29.613 1.00 83.21 ? 101 BCR y C25 1 +HETATM 60433 C C26 . BCR BJ 25 . ? 12.724 28.270 30.847 1.00 70.29 ? 101 BCR y C26 1 +HETATM 60434 C C27 . BCR BJ 25 . ? 13.084 26.831 31.151 1.00 77.11 ? 101 BCR y C27 1 +HETATM 60435 C C28 . BCR BJ 25 . ? 13.107 25.990 29.891 1.00 68.39 ? 101 BCR y C28 1 +HETATM 60436 C C29 . BCR BJ 25 . ? 13.953 26.723 28.859 1.00 79.70 ? 101 BCR y C29 1 +HETATM 60437 C C30 . BCR BJ 25 . ? 13.279 28.019 28.424 1.00 78.48 ? 101 BCR y C30 1 +HETATM 60438 C C35 . BCR BJ 25 . ? 1.152 36.121 32.433 1.00 69.83 ? 101 BCR y C35 1 +HETATM 60439 C C36 . BCR BJ 25 . ? 7.914 36.444 29.971 1.00 67.45 ? 101 BCR y C36 1 +HETATM 60440 C C37 . BCR BJ 25 . ? 11.845 32.931 28.629 1.00 65.21 ? 101 BCR y C37 1 +HETATM 60441 C C38 . BCR BJ 25 . ? 12.261 29.092 32.011 1.00 68.77 ? 101 BCR y C38 1 +HETATM 60442 C C39 . BCR BJ 25 . ? 12.081 27.707 27.538 1.00 74.40 ? 101 BCR y C39 1 +HETATM 60443 C C40 . BCR BJ 25 . ? 14.304 28.895 27.709 1.00 90.84 ? 101 BCR y C40 1 +HETATM 60444 C C1 . LMG CJ 33 . ? 55.068 -93.635 -51.641 1.00 140.86 ? 101 LMG Z C1 1 +HETATM 60445 O O1 . LMG CJ 33 . ? 54.367 -92.802 -52.567 1.00 112.55 ? 101 LMG Z O1 1 +HETATM 60446 C C2 . LMG CJ 33 . ? 55.156 -92.936 -50.273 1.00 136.05 ? 101 LMG Z C2 1 +HETATM 60447 O O2 . LMG CJ 33 . ? 56.541 -92.709 -49.976 1.00 132.20 ? 101 LMG Z O2 1 +HETATM 60448 C C3 . LMG CJ 33 . ? 54.494 -93.624 -49.070 1.00 151.71 ? 101 LMG Z C3 1 +HETATM 60449 O O3 . LMG CJ 33 . ? 53.440 -92.784 -48.560 1.00 132.73 ? 101 LMG Z O3 1 +HETATM 60450 C C4 . LMG CJ 33 . ? 53.967 -95.042 -49.320 1.00 149.86 ? 101 LMG Z C4 1 +HETATM 60451 O O4 . LMG CJ 33 . ? 52.918 -95.356 -48.391 1.00 140.22 ? 101 LMG Z O4 1 +HETATM 60452 C C5 . LMG CJ 33 . ? 53.448 -95.251 -50.737 1.00 162.77 ? 101 LMG Z C5 1 +HETATM 60453 O O5 . LMG CJ 33 . ? 51.266 -94.511 -49.925 1.00 138.75 ? 101 LMG Z O5 1 +HETATM 60454 C C6 . LMG CJ 33 . ? 52.184 -94.430 -51.026 1.00 149.41 ? 101 LMG Z C6 1 +HETATM 60455 O O6 . LMG CJ 33 . ? 54.479 -94.947 -51.684 1.00 171.27 ? 101 LMG Z O6 1 +HETATM 60456 C C7 . LMG CJ 33 . ? 54.979 -92.850 -53.847 1.00 99.27 ? 101 LMG Z C7 1 +HETATM 60457 C C8 . LMG CJ 33 . ? 53.929 -92.603 -54.911 1.00 100.69 ? 101 LMG Z C8 1 +HETATM 60458 C C9 . LMG CJ 33 . ? 54.660 -92.625 -56.251 1.00 130.93 ? 101 LMG Z C9 1 +HETATM 60459 O O7 . LMG CJ 33 . ? 52.964 -93.650 -54.820 1.00 132.31 ? 101 LMG Z O7 1 +HETATM 60460 C C10 . LMG CJ 33 . ? 51.577 -93.232 -54.978 1.00 123.09 ? 101 LMG Z C10 1 +HETATM 60461 O O9 . LMG CJ 33 . ? 50.709 -93.777 -54.313 1.00 119.32 ? 101 LMG Z O9 1 +HETATM 60462 C C11 . LMG CJ 33 . ? 51.204 -92.175 -55.988 1.00 120.00 ? 101 LMG Z C11 1 +HETATM 60463 C C12 . LMG CJ 33 . ? 50.735 -92.843 -57.278 1.00 117.65 ? 101 LMG Z C12 1 +HETATM 60464 C C13 . LMG CJ 33 . ? 51.720 -92.618 -58.423 1.00 113.34 ? 101 LMG Z C13 1 +HETATM 60465 C C14 . LMG CJ 33 . ? 52.120 -91.146 -58.527 1.00 129.55 ? 101 LMG Z C14 1 +HETATM 60466 C C15 . LMG CJ 33 . ? 52.840 -90.844 -59.841 1.00 140.11 ? 101 LMG Z C15 1 +HETATM 60467 C C16 . LMG CJ 33 . ? 53.361 -89.410 -59.882 1.00 112.88 ? 101 LMG Z C16 1 +HETATM 60468 C C17 . LMG CJ 33 . ? 52.223 -88.415 -60.091 1.00 107.07 ? 101 LMG Z C17 1 +HETATM 60469 C C18 . LMG CJ 33 . ? 51.673 -88.485 -61.512 1.00 94.74 ? 101 LMG Z C18 1 +HETATM 60470 C C19 . LMG CJ 33 . ? 50.545 -87.480 -61.725 1.00 76.63 ? 101 LMG Z C19 1 +HETATM 60471 C C20 . LMG CJ 33 . ? 49.851 -87.757 -63.049 1.00 88.72 ? 101 LMG Z C20 1 +HETATM 60472 C C21 . LMG CJ 33 . ? 48.545 -86.990 -63.195 1.00 88.30 ? 101 LMG Z C21 1 +HETATM 60473 C C22 . LMG CJ 33 . ? 47.363 -87.769 -62.633 1.00 79.84 ? 101 LMG Z C22 1 +HETATM 60474 C C23 . LMG CJ 33 . ? 46.050 -87.027 -62.882 1.00 72.40 ? 101 LMG Z C23 1 +HETATM 60475 C C24 . LMG CJ 33 . ? 44.862 -87.972 -62.716 1.00 77.19 ? 101 LMG Z C24 1 +HETATM 60476 C C25 . LMG CJ 33 . ? 43.545 -87.275 -62.984 1.00 72.79 ? 101 LMG Z C25 1 +HETATM 60477 O O8 . LMG CJ 33 . ? 55.708 -91.650 -56.244 1.00 137.95 ? 101 LMG Z O8 1 +HETATM 60478 C C28 . LMG CJ 33 . ? 56.017 -90.860 -57.437 1.00 144.00 ? 101 LMG Z C28 1 +HETATM 60479 O O10 . LMG CJ 33 . ? 55.681 -91.263 -58.539 1.00 140.23 ? 101 LMG Z O10 1 +HETATM 60480 C C29 . LMG CJ 33 . ? 56.750 -89.544 -57.308 1.00 137.05 ? 101 LMG Z C29 1 +HETATM 60481 C C1 . LMG DJ 33 . ? -12.495 32.038 52.182 1.00 146.41 ? 101 LMG z C1 1 +HETATM 60482 O O1 . LMG DJ 33 . ? -12.724 32.550 50.874 1.00 137.94 ? 101 LMG z O1 1 +HETATM 60483 C C2 . LMG DJ 33 . ? -12.611 30.520 52.100 1.00 137.75 ? 101 LMG z C2 1 +HETATM 60484 O O2 . LMG DJ 33 . ? -13.975 30.132 52.319 1.00 120.43 ? 101 LMG z O2 1 +HETATM 60485 C C3 . LMG DJ 33 . ? -11.681 29.839 53.098 1.00 150.61 ? 101 LMG z C3 1 +HETATM 60486 O O3 . LMG DJ 33 . ? -10.433 29.566 52.440 1.00 143.81 ? 101 LMG z O3 1 +HETATM 60487 C C4 . LMG DJ 33 . ? -11.460 30.710 54.336 1.00 145.32 ? 101 LMG z C4 1 +HETATM 60488 O O4 . LMG DJ 33 . ? -10.587 30.055 55.266 1.00 170.76 ? 101 LMG z O4 1 +HETATM 60489 C C5 . LMG DJ 33 . ? -10.872 32.071 53.975 1.00 150.33 ? 101 LMG z C5 1 +HETATM 60490 O O5 . LMG DJ 33 . ? -8.734 31.196 53.214 1.00 142.03 ? 101 LMG z O5 1 +HETATM 60491 C C6 . LMG DJ 33 . ? -9.356 32.075 54.164 1.00 141.68 ? 101 LMG z C6 1 +HETATM 60492 O O6 . LMG DJ 33 . ? -11.195 32.448 52.630 1.00 153.66 ? 101 LMG z O6 1 +HETATM 60493 C C7 . LMG DJ 33 . ? -12.030 33.773 50.692 1.00 118.80 ? 101 LMG z C7 1 +HETATM 60494 C C8 . LMG DJ 33 . ? -12.764 34.587 49.648 1.00 108.03 ? 101 LMG z C8 1 +HETATM 60495 C C9 . LMG DJ 33 . ? -14.233 34.643 50.055 1.00 114.79 ? 101 LMG z C9 1 +HETATM 60496 O O7 . LMG DJ 33 . ? -12.190 35.886 49.668 1.00 136.12 ? 101 LMG z O7 1 +HETATM 60497 C C10 . LMG DJ 33 . ? -11.038 36.003 48.789 1.00 126.21 ? 101 LMG z C10 1 +HETATM 60498 O O9 . LMG DJ 33 . ? -10.081 35.254 48.927 1.00 119.48 ? 101 LMG z O9 1 +HETATM 60499 C C11 . LMG DJ 33 . ? -11.043 37.074 47.724 1.00 130.36 ? 101 LMG z C11 1 +HETATM 60500 C C12 . LMG DJ 33 . ? -12.092 38.131 48.062 1.00 132.29 ? 101 LMG z C12 1 +HETATM 60501 C C13 . LMG DJ 33 . ? -12.680 38.771 46.806 1.00 142.35 ? 101 LMG z C13 1 +HETATM 60502 C C14 . LMG DJ 33 . ? -13.639 37.804 46.110 1.00 152.12 ? 101 LMG z C14 1 +HETATM 60503 C C15 . LMG DJ 33 . ? -13.951 38.188 44.659 1.00 134.99 ? 101 LMG z C15 1 +HETATM 60504 C C16 . LMG DJ 33 . ? -15.073 39.217 44.541 1.00 135.93 ? 101 LMG z C16 1 +HETATM 60505 C C17 . LMG DJ 33 . ? -15.916 38.990 43.289 1.00 95.48 ? 101 LMG z C17 1 +HETATM 60506 C C18 . LMG DJ 33 . ? -15.054 39.010 42.033 1.00 93.31 ? 101 LMG z C18 1 +HETATM 60507 C C19 . LMG DJ 33 . ? -14.323 40.336 41.840 1.00 93.00 ? 101 LMG z C19 1 +HETATM 60508 C C20 . LMG DJ 33 . ? -13.327 40.183 40.702 1.00 87.49 ? 101 LMG z C20 1 +HETATM 60509 C C21 . LMG DJ 33 . ? -12.549 41.452 40.425 1.00 93.13 ? 101 LMG z C21 1 +HETATM 60510 C C22 . LMG DJ 33 . ? -11.087 41.081 40.250 1.00 87.06 ? 101 LMG z C22 1 +HETATM 60511 C C23 . LMG DJ 33 . ? -10.352 42.116 39.419 1.00 78.93 ? 101 LMG z C23 1 +HETATM 60512 C C24 . LMG DJ 33 . ? -8.881 41.741 39.350 1.00 82.16 ? 101 LMG z C24 1 +HETATM 60513 C C25 . LMG DJ 33 . ? -8.120 42.658 38.424 1.00 78.48 ? 101 LMG z C25 1 +HETATM 60514 O O8 . LMG DJ 33 . ? -14.935 35.560 49.212 1.00 154.49 ? 101 LMG z O8 1 +HETATM 60515 C C28 . LMG DJ 33 . ? -16.388 35.662 49.277 1.00 149.31 ? 101 LMG z C28 1 +HETATM 60516 O O10 . LMG DJ 33 . ? -16.998 34.891 50.003 1.00 141.55 ? 101 LMG z O10 1 +HETATM 60517 C C29 . LMG DJ 33 . ? -17.129 36.702 48.460 1.00 135.54 ? 101 LMG z C29 1 +HETATM 60518 C C30 . LMG DJ 33 . ? -16.881 36.479 46.972 1.00 131.78 ? 101 LMG z C30 1 +HETATM 60519 C C31 . LMG DJ 33 . ? -17.805 37.331 46.107 1.00 111.73 ? 101 LMG z C31 1 +HETATM 60520 O O . HOH EJ 41 . ? 18.469 -19.983 -37.524 1.00 50.16 ? 501 HOH A O 1 +HETATM 60521 O O . HOH EJ 41 . ? 61.650 -48.479 -22.828 1.00 90.52 ? 502 HOH A O 1 +HETATM 60522 O O . HOH EJ 41 . ? 43.904 -14.216 -48.224 1.00 63.81 ? 503 HOH A O 1 +HETATM 60523 O O . HOH EJ 41 . ? 10.013 -46.812 -12.020 1.00 50.09 ? 504 HOH A O 1 +HETATM 60524 O O A HOH EJ 41 . ? 15.165 -49.233 -11.307 0.40 72.24 ? 505 HOH A O 1 +HETATM 60525 O O B HOH EJ 41 . ? 15.103 -49.458 -11.222 0.60 73.17 ? 505 HOH A O 1 +HETATM 60526 O O A HOH EJ 41 . ? 35.879 -23.728 -58.814 0.40 45.61 ? 506 HOH A O 1 +HETATM 60527 O O B HOH EJ 41 . ? 35.707 -23.609 -58.932 0.60 45.15 ? 506 HOH A O 1 +HETATM 60528 O O A HOH EJ 41 . ? 25.930 -26.931 -58.373 0.70 42.26 ? 507 HOH A O 1 +HETATM 60529 O O B HOH EJ 41 . ? 25.949 -25.350 -57.193 0.30 40.40 ? 507 HOH A O 1 +HETATM 60530 O O . HOH EJ 41 . ? 44.545 -15.130 -54.364 1.00 59.06 ? 508 HOH A O 1 +HETATM 60531 O O A HOH EJ 41 . ? 26.754 -62.977 -19.306 0.40 65.05 ? 509 HOH A O 1 +HETATM 60532 O O B HOH EJ 41 . ? 26.656 -63.186 -19.105 0.60 64.52 ? 509 HOH A O 1 +HETATM 60533 O O . HOH EJ 41 . ? 6.487 -47.307 -68.022 1.00 73.77 ? 510 HOH A O 1 +HETATM 60534 O O A HOH EJ 41 . ? 39.778 -36.469 -61.269 0.40 52.73 ? 511 HOH A O 1 +HETATM 60535 O O B HOH EJ 41 . ? 39.610 -36.706 -61.354 0.60 52.01 ? 511 HOH A O 1 +HETATM 60536 O O . HOH EJ 41 . ? 3.118 -60.302 -69.567 1.00 69.20 ? 512 HOH A O 1 +HETATM 60537 O O A HOH EJ 41 . ? 22.992 -65.635 -15.121 0.40 78.56 ? 513 HOH A O 1 +HETATM 60538 O O B HOH EJ 41 . ? 23.025 -65.534 -15.143 0.60 78.83 ? 513 HOH A O 1 +HETATM 60539 O O A HOH EJ 41 . ? 28.984 -39.893 -59.047 0.40 51.66 ? 514 HOH A O 1 +HETATM 60540 O O B HOH EJ 41 . ? 29.086 -39.884 -58.879 0.60 51.90 ? 514 HOH A O 1 +HETATM 60541 O O . HOH EJ 41 . ? 9.556 -54.343 -63.573 1.00 46.81 ? 515 HOH A O 1 +HETATM 60542 O O A HOH EJ 41 . ? 17.038 -55.405 -7.567 0.40 54.11 ? 516 HOH A O 1 +HETATM 60543 O O B HOH EJ 41 . ? 16.947 -55.424 -7.575 0.60 54.07 ? 516 HOH A O 1 +HETATM 60544 O O A HOH EJ 41 . ? 23.825 -43.872 -63.129 0.40 54.37 ? 517 HOH A O 1 +HETATM 60545 O O B HOH EJ 41 . ? 23.931 -43.706 -63.140 0.60 54.24 ? 517 HOH A O 1 +HETATM 60546 O O A HOH EJ 41 . ? 30.799 -31.839 -58.893 0.40 50.32 ? 518 HOH A O 1 +HETATM 60547 O O B HOH EJ 41 . ? 30.823 -31.787 -59.198 0.60 52.54 ? 518 HOH A O 1 +HETATM 60548 O O . HOH EJ 41 . ? 24.926 -29.599 -40.353 1.00 42.08 ? 519 HOH A O 1 +HETATM 60549 O O . HOH EJ 41 . ? 11.608 -54.438 -71.866 1.00 57.39 ? 520 HOH A O 1 +HETATM 60550 O O A HOH EJ 41 . ? 28.129 -53.007 -56.504 0.40 47.57 ? 521 HOH A O 1 +HETATM 60551 O O B HOH EJ 41 . ? 28.156 -52.962 -56.596 0.60 47.55 ? 521 HOH A O 1 +HETATM 60552 O O A HOH EJ 41 . ? 28.286 -63.653 -17.168 0.40 70.64 ? 522 HOH A O 1 +HETATM 60553 O O B HOH EJ 41 . ? 28.373 -63.641 -17.119 0.60 70.82 ? 522 HOH A O 1 +HETATM 60554 O O . HOH EJ 41 . ? 30.251 -16.681 -60.134 1.00 43.97 ? 523 HOH A O 1 +HETATM 60555 O O A HOH EJ 41 . ? 23.910 -58.177 -8.519 0.40 55.33 ? 524 HOH A O 1 +HETATM 60556 O O B HOH EJ 41 . ? 23.721 -58.191 -8.525 0.60 55.28 ? 524 HOH A O 1 +HETATM 60557 O O . HOH EJ 41 . ? 6.913 -72.080 -27.150 1.00 60.20 ? 525 HOH A O 1 +HETATM 60558 O O A HOH EJ 41 . ? 16.200 -46.367 -61.541 0.40 49.52 ? 526 HOH A O 1 +HETATM 60559 O O B HOH EJ 41 . ? 16.124 -46.404 -61.569 0.60 49.66 ? 526 HOH A O 1 +HETATM 60560 O O . HOH EJ 41 . ? 55.133 -48.121 -20.091 1.00 88.88 ? 527 HOH A O 1 +HETATM 60561 O O . HOH EJ 41 . ? 25.926 -16.052 -47.827 1.00 68.83 ? 528 HOH A O 1 +HETATM 60562 O O A HOH EJ 41 . ? 25.986 -40.159 -56.566 0.40 45.50 ? 529 HOH A O 1 +HETATM 60563 O O B HOH EJ 41 . ? 26.111 -40.029 -56.585 0.60 45.29 ? 529 HOH A O 1 +HETATM 60564 O O A HOH EJ 41 . ? 20.535 -42.094 -63.337 0.40 54.71 ? 530 HOH A O 1 +HETATM 60565 O O B HOH EJ 41 . ? 20.860 -41.841 -63.201 0.60 58.08 ? 530 HOH A O 1 +HETATM 60566 O O . HOH EJ 41 . ? 37.401 -16.753 -50.415 1.00 47.74 ? 531 HOH A O 1 +HETATM 60567 O O A HOH EJ 41 . ? 30.950 -29.355 -62.894 0.40 50.64 ? 532 HOH A O 1 +HETATM 60568 O O B HOH EJ 41 . ? 30.857 -29.351 -62.834 0.60 50.78 ? 532 HOH A O 1 +HETATM 60569 O O . HOH EJ 41 . ? 7.977 -53.487 -65.874 1.00 47.57 ? 533 HOH A O 1 +HETATM 60570 O O A HOH EJ 41 . ? 29.050 -33.997 -52.601 0.40 49.95 ? 534 HOH A O 1 +HETATM 60571 O O B HOH EJ 41 . ? 29.092 -33.959 -52.671 0.60 50.10 ? 534 HOH A O 1 +HETATM 60572 O O A HOH EJ 41 . ? 30.082 -28.209 -65.504 0.40 51.04 ? 535 HOH A O 1 +HETATM 60573 O O B HOH EJ 41 . ? 30.069 -28.409 -65.247 0.60 50.65 ? 535 HOH A O 1 +HETATM 60574 O O A HOH EJ 41 . ? 14.427 -51.684 -6.831 0.40 63.44 ? 536 HOH A O 1 +HETATM 60575 O O B HOH EJ 41 . ? 14.324 -51.626 -6.759 0.60 63.34 ? 536 HOH A O 1 +HETATM 60576 O O A HOH EJ 41 . ? 26.873 -34.751 -56.185 0.40 43.65 ? 537 HOH A O 1 +HETATM 60577 O O B HOH EJ 41 . ? 26.866 -34.527 -56.191 0.60 43.25 ? 537 HOH A O 1 +HETATM 60578 O O A HOH EJ 41 . ? 33.644 -63.483 -11.189 0.40 78.46 ? 538 HOH A O 1 +HETATM 60579 O O B HOH EJ 41 . ? 33.612 -63.444 -11.438 0.60 78.38 ? 538 HOH A O 1 +HETATM 60580 O O A HOH EJ 41 . ? 24.360 -29.252 -44.539 0.40 43.68 ? 539 HOH A O 1 +HETATM 60581 O O B HOH EJ 41 . ? 24.334 -29.275 -44.540 0.60 43.67 ? 539 HOH A O 1 +HETATM 60582 O O A HOH EJ 41 . ? 22.451 -60.536 -7.757 0.40 82.54 ? 540 HOH A O 1 +HETATM 60583 O O B HOH EJ 41 . ? 22.430 -60.703 -7.937 0.60 84.27 ? 540 HOH A O 1 +HETATM 60584 O O . HOH EJ 41 . ? 51.229 -20.766 -53.250 1.00 83.96 ? 541 HOH A O 1 +HETATM 60585 O O A HOH EJ 41 . ? 27.350 -25.804 -67.514 0.40 51.36 ? 542 HOH A O 1 +HETATM 60586 O O B HOH EJ 41 . ? 27.543 -26.289 -67.237 0.60 50.81 ? 542 HOH A O 1 +HETATM 60587 O O A HOH EJ 41 . ? 37.961 -21.799 -58.969 0.40 52.47 ? 543 HOH A O 1 +HETATM 60588 O O B HOH EJ 41 . ? 37.837 -21.757 -59.035 0.60 52.73 ? 543 HOH A O 1 +HETATM 60589 O O A HOH EJ 41 . ? 42.747 -62.032 -22.600 0.40 48.91 ? 544 HOH A O 1 +HETATM 60590 O O B HOH EJ 41 . ? 42.657 -62.089 -22.627 0.60 48.91 ? 544 HOH A O 1 +HETATM 60591 O O . HOH EJ 41 . ? 35.105 -21.747 -47.588 1.00 44.20 ? 545 HOH A O 1 +HETATM 60592 O O A HOH EJ 41 . ? 17.945 -51.459 -14.522 0.40 71.83 ? 546 HOH A O 1 +HETATM 60593 O O B HOH EJ 41 . ? 17.764 -51.502 -14.602 0.60 72.67 ? 546 HOH A O 1 +HETATM 60594 O O A HOH EJ 41 . ? 28.873 -32.597 -56.423 0.40 45.67 ? 547 HOH A O 1 +HETATM 60595 O O B HOH EJ 41 . ? 28.912 -32.587 -56.375 0.60 45.76 ? 547 HOH A O 1 +HETATM 60596 O O A HOH EJ 41 . ? 39.880 -55.925 -27.967 0.40 49.94 ? 548 HOH A O 1 +HETATM 60597 O O B HOH EJ 41 . ? 40.021 -55.937 -28.088 0.60 50.45 ? 548 HOH A O 1 +HETATM 60598 O O A HOH EJ 41 . ? 37.778 -31.601 -55.370 0.40 47.52 ? 549 HOH A O 1 +HETATM 60599 O O B HOH EJ 41 . ? 37.763 -31.663 -55.500 0.60 47.78 ? 549 HOH A O 1 +HETATM 60600 O O A HOH EJ 41 . ? 20.602 -31.309 -63.819 0.40 44.49 ? 550 HOH A O 1 +HETATM 60601 O O B HOH EJ 41 . ? 20.599 -31.336 -63.732 0.60 44.50 ? 550 HOH A O 1 +HETATM 60602 O O . HOH EJ 41 . ? 47.817 -45.939 -29.443 1.00 66.47 ? 551 HOH A O 1 +HETATM 60603 O O B HOH EJ 41 . ? 22.740 -20.815 -58.840 0.50 45.75 ? 552 HOH A O 1 +HETATM 60604 O O . HOH EJ 41 . ? 48.474 -27.346 -57.765 1.00 95.92 ? 553 HOH A O 1 +HETATM 60605 O O . HOH EJ 41 . ? 31.495 -24.179 -43.718 1.00 43.23 ? 554 HOH A O 1 +HETATM 60606 O O A HOH EJ 41 . ? 35.898 -23.645 -61.563 0.40 46.35 ? 555 HOH A O 1 +HETATM 60607 O O B HOH EJ 41 . ? 35.915 -23.743 -61.670 0.60 46.41 ? 555 HOH A O 1 +HETATM 60608 O O A HOH EJ 41 . ? 24.885 -41.325 -63.648 0.40 63.45 ? 556 HOH A O 1 +HETATM 60609 O O B HOH EJ 41 . ? 25.065 -41.521 -63.401 0.60 64.76 ? 556 HOH A O 1 +HETATM 60610 O O A HOH EJ 41 . ? 20.598 -38.796 -69.432 0.40 56.88 ? 557 HOH A O 1 +HETATM 60611 O O B HOH EJ 41 . ? 20.693 -38.855 -69.484 0.60 57.17 ? 557 HOH A O 1 +HETATM 60612 O O . HOH EJ 41 . ? 28.460 -14.346 -49.833 1.00 100.20 ? 558 HOH A O 1 +HETATM 60613 O O A HOH EJ 41 . ? 17.778 -75.528 -24.324 0.40 78.56 ? 559 HOH A O 1 +HETATM 60614 O O B HOH EJ 41 . ? 17.663 -75.416 -24.355 0.60 78.55 ? 559 HOH A O 1 +HETATM 60615 O O A HOH EJ 41 . ? 20.385 -49.611 -61.532 0.40 59.29 ? 560 HOH A O 1 +HETATM 60616 O O B HOH EJ 41 . ? 20.443 -49.669 -61.572 0.60 59.56 ? 560 HOH A O 1 +HETATM 60617 O O A HOH EJ 41 . ? 17.643 -50.978 -49.623 0.40 41.59 ? 561 HOH A O 1 +HETATM 60618 O O B HOH EJ 41 . ? 17.775 -50.895 -49.705 0.60 41.87 ? 561 HOH A O 1 +HETATM 60619 O O . HOH EJ 41 . ? 10.839 -50.489 -73.250 1.00 62.43 ? 562 HOH A O 1 +HETATM 60620 O O . HOH EJ 41 . ? 8.737 -47.052 -6.308 1.00 77.13 ? 563 HOH A O 1 +HETATM 60621 O O A HOH EJ 41 . ? 29.192 -24.911 -57.419 0.40 45.66 ? 564 HOH A O 1 +HETATM 60622 O O B HOH EJ 41 . ? 29.270 -24.884 -57.447 0.60 45.73 ? 564 HOH A O 1 +HETATM 60623 O O A HOH EJ 41 . ? 25.048 -32.947 -55.282 0.40 47.81 ? 565 HOH A O 1 +HETATM 60624 O O B HOH EJ 41 . ? 25.123 -32.836 -55.151 0.60 48.53 ? 565 HOH A O 1 +HETATM 60625 O O . HOH EJ 41 . ? 23.508 -15.325 -40.436 1.00 91.58 ? 566 HOH A O 1 +HETATM 60626 O O A HOH EJ 41 . ? 22.563 -39.273 -67.064 0.40 48.26 ? 567 HOH A O 1 +HETATM 60627 O O B HOH EJ 41 . ? 22.835 -39.206 -67.131 0.60 47.56 ? 567 HOH A O 1 +HETATM 60628 O O . HOH EJ 41 . ? -2.530 -57.401 -72.687 1.00 53.08 ? 568 HOH A O 1 +HETATM 60629 O O A HOH EJ 41 . ? 23.276 -48.605 -63.659 0.40 53.61 ? 569 HOH A O 1 +HETATM 60630 O O B HOH EJ 41 . ? 23.268 -48.582 -63.721 0.60 53.88 ? 569 HOH A O 1 +HETATM 60631 O O A HOH EJ 41 . ? 28.190 -42.362 -61.819 0.40 58.32 ? 570 HOH A O 1 +HETATM 60632 O O B HOH EJ 41 . ? 27.745 -42.154 -61.484 0.60 60.28 ? 570 HOH A O 1 +HETATM 60633 O O A HOH EJ 41 . ? 14.967 -51.704 -60.662 0.40 50.51 ? 571 HOH A O 1 +HETATM 60634 O O B HOH EJ 41 . ? 15.059 -51.686 -60.646 0.60 50.68 ? 571 HOH A O 1 +HETATM 60635 O O . HOH EJ 41 . ? -0.074 -50.845 -77.846 1.00 56.11 ? 572 HOH A O 1 +HETATM 60636 O O A HOH EJ 41 . ? 35.736 -26.656 -47.781 0.40 48.55 ? 573 HOH A O 1 +HETATM 60637 O O B HOH EJ 41 . ? 35.770 -26.776 -47.792 0.60 48.76 ? 573 HOH A O 1 +HETATM 60638 O O A HOH EJ 41 . ? 19.735 -35.939 -71.312 0.40 53.53 ? 574 HOH A O 1 +HETATM 60639 O O B HOH EJ 41 . ? 19.653 -35.897 -71.314 0.60 53.68 ? 574 HOH A O 1 +HETATM 60640 O O . HOH EJ 41 . ? 41.198 -45.507 -29.837 1.00 48.62 ? 575 HOH A O 1 +HETATM 60641 O O A HOH EJ 41 . ? 20.127 -28.297 -58.687 0.40 46.44 ? 576 HOH A O 1 +HETATM 60642 O O B HOH EJ 41 . ? 20.227 -28.416 -58.567 0.60 46.54 ? 576 HOH A O 1 +HETATM 60643 O O . HOH EJ 41 . ? 52.295 -49.043 -17.828 1.00 73.54 ? 577 HOH A O 1 +HETATM 60644 O O . HOH EJ 41 . ? 45.213 -57.997 -27.423 1.00 46.28 ? 578 HOH A O 1 +HETATM 60645 O O . HOH EJ 41 . ? 11.385 -77.824 -26.718 1.00 88.64 ? 579 HOH A O 1 +HETATM 60646 O O . HOH EJ 41 . ? 45.695 -61.278 -19.406 1.00 66.56 ? 580 HOH A O 1 +HETATM 60647 O O . HOH EJ 41 . ? 49.603 -43.990 -22.396 1.00 48.69 ? 581 HOH A O 1 +HETATM 60648 O O A HOH EJ 41 . ? 29.332 -50.869 -64.485 0.40 63.31 ? 582 HOH A O 1 +HETATM 60649 O O B HOH EJ 41 . ? 29.327 -50.806 -64.363 0.60 63.74 ? 582 HOH A O 1 +HETATM 60650 O O A HOH EJ 41 . ? 25.946 -38.673 -54.048 0.40 45.67 ? 583 HOH A O 1 +HETATM 60651 O O B HOH EJ 41 . ? 26.001 -38.633 -54.037 0.60 45.71 ? 583 HOH A O 1 +HETATM 60652 O O A HOH EJ 41 . ? 27.059 -34.789 -67.812 0.40 51.15 ? 584 HOH A O 1 +HETATM 60653 O O B HOH EJ 41 . ? 27.012 -34.752 -67.684 0.60 51.59 ? 584 HOH A O 1 +HETATM 60654 O O A HOH EJ 41 . ? 24.970 -37.036 -41.296 0.40 42.61 ? 585 HOH A O 1 +HETATM 60655 O O B HOH EJ 41 . ? 24.949 -37.087 -41.271 0.60 42.66 ? 585 HOH A O 1 +HETATM 60656 O O A HOH EJ 41 . ? 40.135 -24.767 -58.703 0.40 54.90 ? 586 HOH A O 1 +HETATM 60657 O O B HOH EJ 41 . ? 40.252 -24.916 -58.678 0.60 55.47 ? 586 HOH A O 1 +HETATM 60658 O O . HOH EJ 41 . ? 46.324 -28.590 -56.491 1.00 63.13 ? 587 HOH A O 1 +HETATM 60659 O O . HOH EJ 41 . ? 47.770 -30.503 -58.299 1.00 69.03 ? 588 HOH A O 1 +HETATM 60660 O O A HOH EJ 41 . ? 42.466 -30.271 -61.253 0.40 47.79 ? 589 HOH A O 1 +HETATM 60661 O O B HOH EJ 41 . ? 42.540 -30.313 -61.211 0.60 47.85 ? 589 HOH A O 1 +HETATM 60662 O O A HOH EJ 41 . ? 24.700 -25.497 -46.870 0.40 42.60 ? 590 HOH A O 1 +HETATM 60663 O O B HOH EJ 41 . ? 24.656 -25.500 -46.752 0.60 42.54 ? 590 HOH A O 1 +HETATM 60664 O O A HOH EJ 41 . ? 25.492 -49.617 -7.419 0.40 75.23 ? 591 HOH A O 1 +HETATM 60665 O O B HOH EJ 41 . ? 25.535 -49.545 -7.295 0.60 75.75 ? 591 HOH A O 1 +HETATM 60666 O O . HOH EJ 41 . ? 29.528 -20.088 -46.354 1.00 47.07 ? 592 HOH A O 1 +HETATM 60667 O O A HOH EJ 41 . ? 22.412 -35.992 -41.514 0.40 41.51 ? 593 HOH A O 1 +HETATM 60668 O O B HOH EJ 41 . ? 22.521 -36.010 -41.539 0.60 41.58 ? 593 HOH A O 1 +HETATM 60669 O O . HOH EJ 41 . ? 46.567 -22.649 -57.081 1.00 58.93 ? 594 HOH A O 1 +HETATM 60670 O O A HOH EJ 41 . ? 43.490 -57.078 -17.191 0.40 52.03 ? 595 HOH A O 1 +HETATM 60671 O O B HOH EJ 41 . ? 43.525 -57.083 -17.330 0.60 52.04 ? 595 HOH A O 1 +HETATM 60672 O O A HOH EJ 41 . ? 26.689 -40.140 -62.435 0.40 70.46 ? 596 HOH A O 1 +HETATM 60673 O O B HOH EJ 41 . ? 26.753 -40.341 -62.637 0.60 71.53 ? 596 HOH A O 1 +HETATM 60674 O O . HOH EJ 41 . ? 46.504 -15.556 -47.707 1.00 60.84 ? 597 HOH A O 1 +HETATM 60675 O O A HOH EJ 41 . ? 39.533 -28.571 -64.067 0.40 46.13 ? 598 HOH A O 1 +HETATM 60676 O O B HOH EJ 41 . ? 39.439 -28.612 -64.034 0.60 46.19 ? 598 HOH A O 1 +HETATM 60677 O O A HOH EJ 41 . ? 30.759 -22.647 -47.258 0.40 52.45 ? 599 HOH A O 1 +HETATM 60678 O O B HOH EJ 41 . ? 30.842 -22.617 -47.205 0.60 52.78 ? 599 HOH A O 1 +HETATM 60679 O O A HOH EJ 41 . ? 17.826 -30.655 -46.385 0.40 43.79 ? 600 HOH A O 1 +HETATM 60680 O O B HOH EJ 41 . ? 17.910 -30.768 -46.393 0.60 44.11 ? 600 HOH A O 1 +HETATM 60681 O O A HOH EJ 41 . ? 14.947 -52.257 -14.080 0.40 63.68 ? 601 HOH A O 1 +HETATM 60682 O O B HOH EJ 41 . ? 15.059 -52.254 -14.005 0.60 63.84 ? 601 HOH A O 1 +HETATM 60683 O O A HOH EJ 41 . ? 24.483 -27.805 -74.028 0.40 50.03 ? 602 HOH A O 1 +HETATM 60684 O O B HOH EJ 41 . ? 24.461 -27.754 -73.999 0.60 50.11 ? 602 HOH A O 1 +HETATM 60685 O O . HOH EJ 41 . ? 10.938 -47.391 -65.976 1.00 50.44 ? 603 HOH A O 1 +HETATM 60686 O O A HOH EJ 41 . ? 34.501 -42.582 -63.293 0.40 50.53 ? 604 HOH A O 1 +HETATM 60687 O O B HOH EJ 41 . ? 34.388 -42.536 -63.244 0.60 50.67 ? 604 HOH A O 1 +HETATM 60688 O O A HOH EJ 41 . ? 31.628 -42.528 -63.059 0.40 55.25 ? 605 HOH A O 1 +HETATM 60689 O O B HOH EJ 41 . ? 31.593 -42.503 -62.808 0.60 56.13 ? 605 HOH A O 1 +HETATM 60690 O O A HOH EJ 41 . ? 37.627 -41.893 -61.523 0.40 71.71 ? 606 HOH A O 1 +HETATM 60691 O O B HOH EJ 41 . ? 37.385 -42.163 -61.521 0.60 72.76 ? 606 HOH A O 1 +HETATM 60692 O O . HOH EJ 41 . ? 6.083 -57.562 -78.671 1.00 67.47 ? 607 HOH A O 1 +HETATM 60693 O O . HOH EJ 41 . ? 7.299 -60.024 -69.467 1.00 51.33 ? 608 HOH A O 1 +HETATM 60694 O O . HOH EJ 41 . ? 56.121 -50.200 -21.665 1.00 74.44 ? 609 HOH A O 1 +HETATM 60695 O O A HOH EJ 41 . ? 41.034 -54.151 -29.848 0.40 52.78 ? 610 HOH A O 1 +HETATM 60696 O O B HOH EJ 41 . ? 41.117 -54.276 -29.954 0.60 53.57 ? 610 HOH A O 1 +HETATM 60697 O O A HOH EJ 41 . ? 29.686 -24.535 -69.465 0.40 63.27 ? 611 HOH A O 1 +HETATM 60698 O O B HOH EJ 41 . ? 29.638 -24.226 -69.699 0.60 63.93 ? 611 HOH A O 1 +HETATM 60699 O O A HOH EJ 41 . ? 14.145 -48.936 -60.787 0.40 58.03 ? 612 HOH A O 1 +HETATM 60700 O O B HOH EJ 41 . ? 14.217 -48.942 -60.776 0.60 58.33 ? 612 HOH A O 1 +HETATM 60701 O O . HOH EJ 41 . ? 25.704 -18.868 -51.696 1.00 45.28 ? 613 HOH A O 1 +HETATM 60702 O O A HOH EJ 41 . ? 26.306 -34.362 -51.942 0.40 48.98 ? 614 HOH A O 1 +HETATM 60703 O O B HOH EJ 41 . ? 26.347 -34.430 -52.206 0.60 49.01 ? 614 HOH A O 1 +HETATM 60704 O O . HOH EJ 41 . ? 12.022 -52.951 -48.440 1.00 45.76 ? 615 HOH A O 1 +HETATM 60705 O O . HOH EJ 41 . ? 6.010 -37.096 -65.084 1.00 52.59 ? 616 HOH A O 1 +HETATM 60706 O O A HOH EJ 41 . ? 32.491 -24.852 -46.187 0.40 45.05 ? 617 HOH A O 1 +HETATM 60707 O O B HOH EJ 41 . ? 32.377 -24.775 -46.217 0.60 45.25 ? 617 HOH A O 1 +HETATM 60708 O O A HOH EJ 41 . ? 25.201 -49.540 -48.952 0.40 57.74 ? 618 HOH A O 1 +HETATM 60709 O O B HOH EJ 41 . ? 25.365 -49.569 -48.919 0.60 58.08 ? 618 HOH A O 1 +HETATM 60710 O O . HOH EJ 41 . ? 52.713 -51.018 -21.233 1.00 79.80 ? 619 HOH A O 1 +HETATM 60711 O O A HOH EJ 41 . ? 32.415 -60.129 -5.189 0.40 81.28 ? 620 HOH A O 1 +HETATM 60712 O O B HOH EJ 41 . ? 32.414 -59.838 -4.898 0.60 85.23 ? 620 HOH A O 1 +HETATM 60713 O O A HOH EJ 41 . ? 35.626 -48.815 -47.736 0.40 64.21 ? 621 HOH A O 1 +HETATM 60714 O O B HOH EJ 41 . ? 35.758 -48.893 -47.664 0.60 64.72 ? 621 HOH A O 1 +HETATM 60715 O O A HOH EJ 41 . ? 26.625 -44.934 -61.942 0.40 56.45 ? 622 HOH A O 1 +HETATM 60716 O O B HOH EJ 41 . ? 26.600 -44.868 -61.993 0.60 56.74 ? 622 HOH A O 1 +HETATM 60717 O O A HOH EJ 41 . ? 24.085 -26.320 -60.367 0.40 48.48 ? 623 HOH A O 1 +HETATM 60718 O O B HOH EJ 41 . ? 24.052 -26.306 -60.219 0.60 48.48 ? 623 HOH A O 1 +HETATM 60719 O O A HOH EJ 41 . ? 27.457 -37.785 -57.217 0.40 47.81 ? 624 HOH A O 1 +HETATM 60720 O O B HOH EJ 41 . ? 27.332 -37.818 -57.216 0.60 48.11 ? 624 HOH A O 1 +HETATM 60721 O O . HOH EJ 41 . ? 47.265 -39.444 -16.173 1.00 79.22 ? 625 HOH A O 1 +HETATM 60722 O O . HOH EJ 41 . ? 46.551 -20.452 -58.274 1.00 68.30 ? 626 HOH A O 1 +HETATM 60723 O O A HOH EJ 41 . ? 7.635 -59.768 -21.344 0.40 60.39 ? 627 HOH A O 1 +HETATM 60724 O O B HOH EJ 41 . ? 7.446 -59.831 -21.303 0.60 60.89 ? 627 HOH A O 1 +HETATM 60725 O O . HOH EJ 41 . ? 10.240 -53.665 -46.471 1.00 47.77 ? 628 HOH A O 1 +HETATM 60726 O O . HOH EJ 41 . ? 6.464 -48.296 -6.150 1.00 88.07 ? 629 HOH A O 1 +HETATM 60727 O O A HOH EJ 41 . ? 27.847 -36.822 -54.468 0.40 51.74 ? 630 HOH A O 1 +HETATM 60728 O O B HOH EJ 41 . ? 27.752 -36.661 -54.456 0.60 52.34 ? 630 HOH A O 1 +HETATM 60729 O O . HOH EJ 41 . ? 3.401 -49.396 -73.049 1.00 82.51 ? 631 HOH A O 1 +HETATM 60730 O O . HOH EJ 41 . ? 51.626 -53.626 -20.140 1.00 61.14 ? 632 HOH A O 1 +HETATM 60731 O O A HOH EJ 41 . ? 38.188 -23.676 -62.900 0.40 44.80 ? 633 HOH A O 1 +HETATM 60732 O O B HOH EJ 41 . ? 38.240 -23.544 -62.895 0.60 44.97 ? 633 HOH A O 1 +HETATM 60733 O O A HOH EJ 41 . ? 23.222 -71.472 -26.907 0.40 72.05 ? 634 HOH A O 1 +HETATM 60734 O O B HOH EJ 41 . ? 23.319 -71.414 -27.058 0.60 71.75 ? 634 HOH A O 1 +HETATM 60735 O O A HOH EJ 41 . ? 25.381 -57.459 -4.939 0.40 92.77 ? 635 HOH A O 1 +HETATM 60736 O O B HOH EJ 41 . ? 25.363 -57.698 -4.971 0.60 93.97 ? 635 HOH A O 1 +HETATM 60737 O O . HOH EJ 41 . ? 1.272 -47.154 -63.991 1.00 92.02 ? 636 HOH A O 1 +HETATM 60738 O O . HOH EJ 41 . ? 16.840 -46.054 -1.557 1.00 86.68 ? 637 HOH A O 1 +HETATM 60739 O O A HOH EJ 41 . ? 25.034 -65.184 -17.889 0.40 86.60 ? 638 HOH A O 1 +HETATM 60740 O O B HOH EJ 41 . ? 24.771 -65.047 -17.995 0.60 88.01 ? 638 HOH A O 1 +HETATM 60741 O O A HOH EJ 41 . ? 44.671 -28.739 -60.654 0.40 50.47 ? 639 HOH A O 1 +HETATM 60742 O O B HOH EJ 41 . ? 44.642 -28.717 -60.624 0.60 50.57 ? 639 HOH A O 1 +HETATM 60743 O O A HOH EJ 41 . ? 22.400 -40.194 -64.471 0.40 62.85 ? 640 HOH A O 1 +HETATM 60744 O O B HOH EJ 41 . ? 22.863 -40.153 -64.277 0.60 63.47 ? 640 HOH A O 1 +HETATM 60745 O O . HOH EJ 41 . ? 63.790 -57.654 -27.003 1.00 124.04 ? 641 HOH A O 1 +HETATM 60746 O O . HOH EJ 41 . ? 35.192 -24.321 -46.355 1.00 48.60 ? 642 HOH A O 1 +HETATM 60747 O O . HOH FJ 41 . ? -13.595 -26.142 -72.793 1.00 69.51 ? 701 HOH B O 1 +HETATM 60748 O O . HOH FJ 41 . ? -12.399 -21.047 -66.780 1.00 64.41 ? 702 HOH B O 1 +HETATM 60749 O O . HOH FJ 41 . ? -3.628 -25.809 -43.569 1.00 79.43 ? 703 HOH B O 1 +HETATM 60750 O O . HOH FJ 41 . ? -7.728 -24.423 -79.734 1.00 110.50 ? 704 HOH B O 1 +HETATM 60751 O O . HOH FJ 41 . ? -15.665 0.298 -22.062 1.00 69.66 ? 705 HOH B O 1 +HETATM 60752 O O . HOH FJ 41 . ? -20.958 -12.060 -53.304 1.00 74.03 ? 706 HOH B O 1 +HETATM 60753 O O . HOH FJ 41 . ? -22.521 -11.522 -67.719 1.00 91.19 ? 707 HOH B O 1 +HETATM 60754 O O . HOH FJ 41 . ? -11.708 -16.949 -58.602 1.00 53.25 ? 708 HOH B O 1 +HETATM 60755 O O . HOH FJ 41 . ? -28.442 -21.488 -37.592 1.00 84.07 ? 709 HOH B O 1 +HETATM 60756 O O . HOH FJ 41 . ? -10.123 -47.419 -14.303 1.00 46.79 ? 710 HOH B O 1 +HETATM 60757 O O . HOH FJ 41 . ? -15.163 -4.520 -61.389 1.00 71.88 ? 711 HOH B O 1 +HETATM 60758 O O . HOH FJ 41 . ? -1.611 -13.049 -49.947 1.00 49.67 ? 712 HOH B O 1 +HETATM 60759 O O . HOH FJ 41 . ? -3.914 -43.472 -2.247 1.00 77.52 ? 713 HOH B O 1 +HETATM 60760 O O . HOH FJ 41 . ? 6.990 -74.063 -15.530 1.00 79.38 ? 714 HOH B O 1 +HETATM 60761 O O . HOH FJ 41 . ? -3.487 -21.071 -44.695 1.00 64.16 ? 715 HOH B O 1 +HETATM 60762 O O . HOH FJ 41 . ? -16.299 -36.287 -30.891 1.00 51.83 ? 716 HOH B O 1 +HETATM 60763 O O . HOH FJ 41 . ? -20.558 -24.504 -38.972 1.00 51.82 ? 717 HOH B O 1 +HETATM 60764 O O . HOH FJ 41 . ? -0.164 -22.446 -37.357 1.00 49.08 ? 718 HOH B O 1 +HETATM 60765 O O . HOH FJ 41 . ? -9.684 -25.735 -41.452 1.00 57.35 ? 719 HOH B O 1 +HETATM 60766 O O . HOH FJ 41 . ? 1.957 -26.005 -47.686 1.00 51.92 ? 720 HOH B O 1 +HETATM 60767 O O . HOH FJ 41 . ? 0.332 -12.807 -35.819 1.00 75.08 ? 721 HOH B O 1 +HETATM 60768 O O . HOH FJ 41 . ? -5.652 -41.256 7.392 1.00 60.56 ? 722 HOH B O 1 +HETATM 60769 O O . HOH FJ 41 . ? -6.727 -11.927 -34.158 1.00 55.81 ? 723 HOH B O 1 +HETATM 60770 O O . HOH FJ 41 . ? 4.848 -17.033 -37.440 1.00 70.36 ? 724 HOH B O 1 +HETATM 60771 O O . HOH FJ 41 . ? -18.561 -35.922 -32.452 1.00 53.43 ? 725 HOH B O 1 +HETATM 60772 O O . HOH FJ 41 . ? -17.214 -49.053 1.119 1.00 55.48 ? 726 HOH B O 1 +HETATM 60773 O O . HOH FJ 41 . ? -14.172 -11.625 -36.927 1.00 53.07 ? 727 HOH B O 1 +HETATM 60774 O O . HOH FJ 41 . ? 1.763 -24.967 -50.811 1.00 49.28 ? 728 HOH B O 1 +HETATM 60775 O O . HOH FJ 41 . ? -18.993 -52.707 -6.396 1.00 70.86 ? 729 HOH B O 1 +HETATM 60776 O O . HOH FJ 41 . ? -12.465 -33.171 -56.297 1.00 75.06 ? 730 HOH B O 1 +HETATM 60777 O O . HOH FJ 41 . ? -4.293 -39.620 3.806 1.00 47.16 ? 731 HOH B O 1 +HETATM 60778 O O . HOH FJ 41 . ? -3.094 -31.075 -75.789 1.00 79.67 ? 732 HOH B O 1 +HETATM 60779 O O . HOH FJ 41 . ? -15.226 -33.803 -44.143 1.00 53.72 ? 733 HOH B O 1 +HETATM 60780 O O . HOH FJ 41 . ? -17.615 -27.218 -26.392 1.00 48.09 ? 734 HOH B O 1 +HETATM 60781 O O . HOH FJ 41 . ? -8.789 -13.899 -43.005 1.00 45.22 ? 735 HOH B O 1 +HETATM 60782 O O . HOH FJ 41 . ? -5.308 -64.385 -11.321 1.00 80.60 ? 736 HOH B O 1 +HETATM 60783 O O . HOH FJ 41 . ? 11.264 -18.294 -65.833 1.00 63.20 ? 737 HOH B O 1 +HETATM 60784 O O . HOH FJ 41 . ? 10.194 -26.832 -74.194 1.00 75.33 ? 738 HOH B O 1 +HETATM 60785 O O . HOH FJ 41 . ? -1.292 -42.772 4.670 1.00 70.92 ? 739 HOH B O 1 +HETATM 60786 O O . HOH FJ 41 . ? -8.638 -29.319 -60.773 1.00 65.27 ? 740 HOH B O 1 +HETATM 60787 O O . HOH FJ 41 . ? -16.057 -17.780 -42.844 1.00 61.28 ? 741 HOH B O 1 +HETATM 60788 O O . HOH FJ 41 . ? -36.632 -39.212 -32.834 1.00 84.74 ? 742 HOH B O 1 +HETATM 60789 O O . HOH FJ 41 . ? -18.221 -51.791 -8.479 1.00 62.99 ? 743 HOH B O 1 +HETATM 60790 O O . HOH FJ 41 . ? -33.205 -35.833 -36.895 1.00 68.00 ? 744 HOH B O 1 +HETATM 60791 O O . HOH FJ 41 . ? -12.285 -52.947 -2.142 1.00 57.51 ? 745 HOH B O 1 +HETATM 60792 O O . HOH FJ 41 . ? -20.504 -37.755 -33.084 1.00 59.50 ? 746 HOH B O 1 +HETATM 60793 O O . HOH FJ 41 . ? 17.616 -45.001 -5.748 1.00 67.91 ? 747 HOH B O 1 +HETATM 60794 O O . HOH FJ 41 . ? -32.275 -45.684 -31.811 1.00 68.66 ? 748 HOH B O 1 +HETATM 60795 O O . HOH FJ 41 . ? -11.146 -21.370 -34.198 1.00 55.04 ? 749 HOH B O 1 +HETATM 60796 O O . HOH FJ 41 . ? -2.541 -26.435 -62.688 1.00 48.88 ? 750 HOH B O 1 +HETATM 60797 O O . HOH FJ 41 . ? 1.360 -51.720 -8.632 1.00 51.97 ? 751 HOH B O 1 +HETATM 60798 O O . HOH FJ 41 . ? -18.058 -11.428 -34.623 1.00 71.85 ? 752 HOH B O 1 +HETATM 60799 O O . HOH FJ 41 . ? 1.019 -29.348 -49.013 1.00 45.07 ? 753 HOH B O 1 +HETATM 60800 O O . HOH FJ 41 . ? -23.963 -29.084 -35.190 1.00 62.73 ? 754 HOH B O 1 +HETATM 60801 O O . HOH FJ 41 . ? -17.879 -21.983 -66.632 1.00 96.35 ? 755 HOH B O 1 +HETATM 60802 O O . HOH FJ 41 . ? -16.028 -33.291 -30.648 1.00 44.19 ? 756 HOH B O 1 +HETATM 60803 O O . HOH FJ 41 . ? -7.288 -31.906 -49.106 1.00 44.61 ? 757 HOH B O 1 +HETATM 60804 O O . HOH FJ 41 . ? -21.643 -30.028 -52.547 1.00 58.48 ? 758 HOH B O 1 +HETATM 60805 O O . HOH FJ 41 . ? -25.861 -15.298 -19.521 1.00 73.50 ? 759 HOH B O 1 +HETATM 60806 O O . HOH FJ 41 . ? 1.497 -18.006 -56.412 1.00 68.53 ? 760 HOH B O 1 +HETATM 60807 O O . HOH FJ 41 . ? -4.698 -13.687 -54.243 1.00 58.32 ? 761 HOH B O 1 +HETATM 60808 O O . HOH FJ 41 . ? -14.521 -27.172 -52.447 1.00 48.34 ? 762 HOH B O 1 +HETATM 60809 O O . HOH FJ 41 . ? -11.859 -9.180 -28.605 1.00 65.15 ? 763 HOH B O 1 +HETATM 60810 O O . HOH FJ 41 . ? -15.737 -22.110 -57.288 1.00 52.98 ? 764 HOH B O 1 +HETATM 60811 O O . HOH FJ 41 . ? -10.251 -51.537 -3.482 1.00 57.66 ? 765 HOH B O 1 +HETATM 60812 O O . HOH FJ 41 . ? 4.654 -28.111 -44.735 1.00 41.35 ? 766 HOH B O 1 +HETATM 60813 O O . HOH FJ 41 . ? -6.898 -34.686 3.299 1.00 52.93 ? 767 HOH B O 1 +HETATM 60814 O O . HOH FJ 41 . ? 2.302 -43.769 -0.042 1.00 68.09 ? 768 HOH B O 1 +HETATM 60815 O O . HOH FJ 41 . ? -13.613 -33.944 -32.148 1.00 47.13 ? 769 HOH B O 1 +HETATM 60816 O O . HOH FJ 41 . ? 3.785 -24.816 -64.744 1.00 63.12 ? 770 HOH B O 1 +HETATM 60817 O O . HOH FJ 41 . ? -8.088 -6.946 -30.391 1.00 114.95 ? 771 HOH B O 1 +HETATM 60818 O O . HOH FJ 41 . ? -10.934 -27.662 -47.451 1.00 56.06 ? 772 HOH B O 1 +HETATM 60819 O O . HOH FJ 41 . ? 7.425 -15.326 -40.626 1.00 58.75 ? 773 HOH B O 1 +HETATM 60820 O O . HOH FJ 41 . ? -5.995 -33.003 -52.443 1.00 51.16 ? 774 HOH B O 1 +HETATM 60821 O O . HOH FJ 41 . ? -2.073 -19.402 -43.906 1.00 49.05 ? 775 HOH B O 1 +HETATM 60822 O O . HOH FJ 41 . ? -10.812 -24.895 -47.889 1.00 52.67 ? 776 HOH B O 1 +HETATM 60823 O O . HOH FJ 41 . ? 4.729 -9.165 -45.425 1.00 66.89 ? 777 HOH B O 1 +HETATM 60824 O O . HOH FJ 41 . ? -1.286 -9.458 -42.541 1.00 50.59 ? 778 HOH B O 1 +HETATM 60825 O O . HOH FJ 41 . ? 4.818 -31.691 -51.267 1.00 42.38 ? 779 HOH B O 1 +HETATM 60826 O O . HOH FJ 41 . ? -22.561 -36.645 -33.761 1.00 57.06 ? 780 HOH B O 1 +HETATM 60827 O O . HOH FJ 41 . ? -3.529 -21.759 -36.758 1.00 47.27 ? 781 HOH B O 1 +HETATM 60828 O O . HOH FJ 41 . ? 2.253 -38.779 0.925 1.00 52.79 ? 782 HOH B O 1 +HETATM 60829 O O . HOH FJ 41 . ? -26.007 -17.836 -58.385 1.00 69.68 ? 783 HOH B O 1 +HETATM 60830 O O A HOH FJ 41 . ? 16.985 -66.236 -9.614 0.40 67.92 ? 784 HOH B O 1 +HETATM 60831 O O B HOH FJ 41 . ? 16.913 -66.081 -9.615 0.60 67.35 ? 784 HOH B O 1 +HETATM 60832 O O . HOH FJ 41 . ? 5.096 -18.441 -71.278 1.00 56.37 ? 785 HOH B O 1 +HETATM 60833 O O . HOH FJ 41 . ? -10.040 -22.462 -63.757 1.00 60.84 ? 786 HOH B O 1 +HETATM 60834 O O . HOH FJ 41 . ? 3.538 -7.435 -47.525 1.00 81.92 ? 787 HOH B O 1 +HETATM 60835 O O . HOH FJ 41 . ? -6.671 -18.373 -54.803 1.00 48.46 ? 788 HOH B O 1 +HETATM 60836 O O . HOH FJ 41 . ? 5.370 -24.168 -49.743 1.00 46.53 ? 789 HOH B O 1 +HETATM 60837 O O . HOH FJ 41 . ? -5.340 -23.215 -76.232 1.00 64.12 ? 790 HOH B O 1 +HETATM 60838 O O . HOH FJ 41 . ? -9.567 -32.350 -41.987 1.00 45.28 ? 791 HOH B O 1 +HETATM 60839 O O . HOH FJ 41 . ? -4.877 -13.836 -33.930 1.00 69.17 ? 792 HOH B O 1 +HETATM 60840 O O . HOH FJ 41 . ? -21.975 -28.351 -32.332 1.00 60.91 ? 793 HOH B O 1 +HETATM 60841 O O . HOH FJ 41 . ? -5.645 -19.984 -37.431 1.00 46.08 ? 794 HOH B O 1 +HETATM 60842 O O . HOH FJ 41 . ? -11.671 -14.606 -70.750 1.00 81.47 ? 795 HOH B O 1 +HETATM 60843 O O . HOH FJ 41 . ? 0.928 -24.761 -39.639 1.00 44.37 ? 796 HOH B O 1 +HETATM 60844 O O . HOH FJ 41 . ? -15.802 -19.048 -45.266 1.00 60.44 ? 797 HOH B O 1 +HETATM 60845 O O . HOH FJ 41 . ? -16.281 -21.269 -64.916 1.00 74.42 ? 798 HOH B O 1 +HETATM 60846 O O . HOH FJ 41 . ? -4.878 4.067 -25.861 1.00 74.63 ? 799 HOH B O 1 +HETATM 60847 O O . HOH FJ 41 . ? -16.544 -19.827 -41.139 1.00 51.24 ? 800 HOH B O 1 +HETATM 60848 O O . HOH FJ 41 . ? -21.027 -14.326 -47.337 1.00 61.64 ? 801 HOH B O 1 +HETATM 60849 O O . HOH FJ 41 . ? -5.139 -20.079 -29.160 1.00 46.82 ? 802 HOH B O 1 +HETATM 60850 O O . HOH FJ 41 . ? 0.362 -31.431 7.873 1.00 72.99 ? 803 HOH B O 1 +HETATM 60851 O O . HOH FJ 41 . ? -33.167 -37.916 -40.015 1.00 115.31 ? 804 HOH B O 1 +HETATM 60852 O O . HOH FJ 41 . ? -33.692 -42.046 -37.620 1.00 75.66 ? 805 HOH B O 1 +HETATM 60853 O O . HOH FJ 41 . ? 7.173 -29.643 -75.700 1.00 69.78 ? 806 HOH B O 1 +HETATM 60854 O O . HOH FJ 41 . ? 0.617 -58.784 -8.673 1.00 74.96 ? 807 HOH B O 1 +HETATM 60855 O O . HOH FJ 41 . ? -15.743 -16.203 -35.742 1.00 49.74 ? 808 HOH B O 1 +HETATM 60856 O O . HOH FJ 41 . ? -10.930 -20.197 -61.881 1.00 73.07 ? 809 HOH B O 1 +HETATM 60857 O O . HOH FJ 41 . ? -3.627 -41.956 12.722 1.00 81.68 ? 810 HOH B O 1 +HETATM 60858 O O . HOH FJ 41 . ? 10.086 -57.097 -6.248 1.00 73.08 ? 811 HOH B O 1 +HETATM 60859 O O . HOH FJ 41 . ? -7.735 -32.756 -12.828 1.00 50.05 ? 812 HOH B O 1 +HETATM 60860 O O . HOH FJ 41 . ? -1.036 -29.397 -42.482 1.00 49.96 ? 813 HOH B O 1 +HETATM 60861 O O . HOH FJ 41 . ? -5.435 -6.401 -69.873 1.00 83.75 ? 814 HOH B O 1 +HETATM 60862 O O . HOH FJ 41 . ? -20.095 -52.143 -3.527 1.00 77.46 ? 815 HOH B O 1 +HETATM 60863 O O . HOH FJ 41 . ? -12.882 -50.390 4.456 1.00 73.48 ? 816 HOH B O 1 +HETATM 60864 O O . HOH FJ 41 . ? -25.141 -28.731 -37.716 1.00 69.76 ? 817 HOH B O 1 +HETATM 60865 O O . HOH FJ 41 . ? -24.223 -29.195 -54.452 1.00 74.54 ? 818 HOH B O 1 +HETATM 60866 O O . HOH FJ 41 . ? -15.791 -10.072 -67.034 1.00 77.07 ? 819 HOH B O 1 +HETATM 60867 O O . HOH FJ 41 . ? -22.654 -18.019 -38.448 1.00 69.14 ? 820 HOH B O 1 +HETATM 60868 O O . HOH FJ 41 . ? -11.471 -4.947 -68.519 1.00 77.37 ? 821 HOH B O 1 +HETATM 60869 O O . HOH FJ 41 . ? 1.435 -28.975 -46.300 1.00 48.59 ? 822 HOH B O 1 +HETATM 60870 O O . HOH FJ 41 . ? -12.765 -21.214 -64.283 1.00 76.97 ? 823 HOH B O 1 +HETATM 60871 O O . HOH FJ 41 . ? -10.651 -24.731 -62.012 1.00 76.31 ? 824 HOH B O 1 +HETATM 60872 O O . HOH FJ 41 . ? -27.031 -23.805 -47.383 1.00 78.99 ? 825 HOH B O 1 +HETATM 60873 O O . HOH FJ 41 . ? -22.832 -15.576 -24.560 1.00 61.45 ? 826 HOH B O 1 +HETATM 60874 O O . HOH FJ 41 . ? -8.421 -52.261 -14.177 1.00 54.09 ? 827 HOH B O 1 +HETATM 60875 O O . HOH FJ 41 . ? -12.839 -26.762 -49.949 1.00 60.40 ? 828 HOH B O 1 +HETATM 60876 O O . HOH FJ 41 . ? 3.950 -36.809 1.627 1.00 58.04 ? 829 HOH B O 1 +HETATM 60877 O O . HOH FJ 41 . ? 2.709 -19.411 -70.264 1.00 53.52 ? 830 HOH B O 1 +HETATM 60878 O O . HOH FJ 41 . ? -20.593 -27.216 -39.828 1.00 63.06 ? 831 HOH B O 1 +HETATM 60879 O O . HOH FJ 41 . ? -9.868 -23.238 -59.639 1.00 60.70 ? 832 HOH B O 1 +HETATM 60880 O O . HOH FJ 41 . ? -25.020 -38.076 -33.723 1.00 61.07 ? 833 HOH B O 1 +HETATM 60881 O O . HOH FJ 41 . ? -19.843 -28.314 -43.745 1.00 73.30 ? 834 HOH B O 1 +HETATM 60882 O O . HOH FJ 41 . ? 3.412 -12.928 -63.926 1.00 75.01 ? 835 HOH B O 1 +HETATM 60883 O O . HOH FJ 41 . ? -34.195 -30.290 -33.452 1.00 83.99 ? 836 HOH B O 1 +HETATM 60884 O O . HOH FJ 41 . ? 7.661 -26.465 -40.619 1.00 44.93 ? 837 HOH B O 1 +HETATM 60885 O O . HOH FJ 41 . ? -21.572 -27.566 -41.924 1.00 74.37 ? 838 HOH B O 1 +HETATM 60886 O O . HOH FJ 41 . ? -33.002 -33.313 -34.385 1.00 94.48 ? 839 HOH B O 1 +HETATM 60887 O O . HOH FJ 41 . ? -22.722 -58.422 -3.758 1.00 71.35 ? 840 HOH B O 1 +HETATM 60888 O O . HOH FJ 41 . ? -3.613 -34.682 -51.896 1.00 51.30 ? 841 HOH B O 1 +HETATM 60889 O O . HOH FJ 41 . ? 1.673 -23.959 -80.591 1.00 84.06 ? 842 HOH B O 1 +HETATM 60890 O O . HOH FJ 41 . ? -18.539 -17.497 -39.120 1.00 71.84 ? 843 HOH B O 1 +HETATM 60891 O O . HOH FJ 41 . ? -11.043 -28.882 -55.234 1.00 61.10 ? 844 HOH B O 1 +HETATM 60892 O O . HOH FJ 41 . ? -21.399 -11.861 -50.248 1.00 85.56 ? 845 HOH B O 1 +HETATM 60893 O O . HOH FJ 41 . ? -4.971 -12.838 -36.890 1.00 62.88 ? 846 HOH B O 1 +HETATM 60894 O O . HOH FJ 41 . ? -20.135 -10.460 -55.581 1.00 83.44 ? 847 HOH B O 1 +HETATM 60895 O O . HOH FJ 41 . ? -34.342 -22.454 -21.501 1.00 89.79 ? 848 HOH B O 1 +HETATM 60896 O O . HOH FJ 41 . ? 8.404 -73.907 -25.493 1.00 60.57 ? 849 HOH B O 1 +HETATM 60897 O O . HOH FJ 41 . ? -12.669 -38.124 8.705 1.00 56.89 ? 850 HOH B O 1 +HETATM 60898 O O . HOH FJ 41 . ? 12.797 -30.665 -73.259 1.00 80.59 ? 851 HOH B O 1 +HETATM 60899 O O A HOH FJ 41 . ? 13.149 -51.144 -9.114 0.40 66.19 ? 852 HOH B O 1 +HETATM 60900 O O B HOH FJ 41 . ? 13.261 -51.025 -9.149 0.60 66.31 ? 852 HOH B O 1 +HETATM 60901 O O . HOH FJ 41 . ? 7.116 -19.526 -37.484 1.00 64.82 ? 853 HOH B O 1 +HETATM 60902 O O . HOH FJ 41 . ? -1.162 -5.791 -47.888 1.00 77.91 ? 854 HOH B O 1 +HETATM 60903 O O . HOH FJ 41 . ? -4.312 -22.148 -27.628 1.00 42.62 ? 855 HOH B O 1 +HETATM 60904 O O . HOH FJ 41 . ? 2.841 -11.267 -36.481 1.00 83.38 ? 856 HOH B O 1 +HETATM 60905 O O . HOH FJ 41 . ? 7.076 -11.159 -45.294 1.00 93.63 ? 857 HOH B O 1 +HETATM 60906 O O . HOH FJ 41 . ? -19.922 -17.070 -37.263 1.00 65.17 ? 858 HOH B O 1 +HETATM 60907 O O . HOH FJ 41 . ? 3.046 -23.580 -56.906 1.00 53.47 ? 859 HOH B O 1 +HETATM 60908 O O . HOH FJ 41 . ? -6.245 -45.924 12.458 1.00 85.68 ? 860 HOH B O 1 +HETATM 60909 O O . HOH FJ 41 . ? -19.043 -20.133 -65.107 1.00 76.30 ? 861 HOH B O 1 +HETATM 60910 O O . HOH FJ 41 . ? -12.110 -21.355 -59.029 1.00 66.93 ? 862 HOH B O 1 +HETATM 60911 O O . HOH FJ 41 . ? -7.397 -5.912 -42.019 1.00 93.02 ? 863 HOH B O 1 +HETATM 60912 O O . HOH FJ 41 . ? -10.519 -19.501 -59.713 1.00 63.96 ? 864 HOH B O 1 +HETATM 60913 O O . HOH FJ 41 . ? -17.597 -17.977 -36.572 1.00 56.15 ? 865 HOH B O 1 +HETATM 60914 O O . HOH FJ 41 . ? 1.124 -20.975 -57.787 1.00 64.93 ? 866 HOH B O 1 +HETATM 60915 O O . HOH FJ 41 . ? 7.169 -12.858 -47.635 1.00 69.00 ? 867 HOH B O 1 +HETATM 60916 O O . HOH FJ 41 . ? -26.650 -17.832 -31.840 1.00 66.53 ? 868 HOH B O 1 +HETATM 60917 O O . HOH FJ 41 . ? -2.239 -6.705 -73.718 1.00 86.33 ? 869 HOH B O 1 +HETATM 60918 O O . HOH FJ 41 . ? -15.771 -23.277 -59.851 1.00 73.55 ? 870 HOH B O 1 +HETATM 60919 O O . HOH FJ 41 . ? 5.721 -35.311 0.222 1.00 78.50 ? 871 HOH B O 1 +HETATM 60920 O O . HOH FJ 41 . ? -13.887 -36.626 -49.370 1.00 77.91 ? 872 HOH B O 1 +HETATM 60921 O O . HOH FJ 41 . ? 14.327 -20.884 -75.401 1.00 75.06 ? 873 HOH B O 1 +HETATM 60922 O O . HOH FJ 41 . ? 8.217 -54.382 -5.441 1.00 99.17 ? 874 HOH B O 1 +HETATM 60923 O O . HOH FJ 41 . ? -23.859 -13.487 -69.950 1.00 87.88 ? 875 HOH B O 1 +HETATM 60924 O O . HOH FJ 41 . ? 3.172 -23.059 -48.501 1.00 64.65 ? 876 HOH B O 1 +HETATM 60925 O O . HOH FJ 41 . ? -6.654 -10.856 -37.042 1.00 69.43 ? 877 HOH B O 1 +HETATM 60926 O O . HOH FJ 41 . ? -25.468 -15.459 -24.575 1.00 97.15 ? 878 HOH B O 1 +HETATM 60927 O O . HOH FJ 41 . ? -23.118 -15.441 -44.872 1.00 104.71 ? 879 HOH B O 1 +HETATM 60928 O O . HOH FJ 41 . ? -16.066 -13.331 -35.960 1.00 55.16 ? 880 HOH B O 1 +HETATM 60929 O O . HOH FJ 41 . ? -10.479 3.744 -26.307 1.00 89.16 ? 881 HOH B O 1 +HETATM 60930 O O . HOH FJ 41 . ? -1.753 -12.145 -34.392 1.00 87.45 ? 882 HOH B O 1 +HETATM 60931 O O . HOH FJ 41 . ? -3.023 -64.260 -10.439 1.00 107.81 ? 883 HOH B O 1 +HETATM 60932 O O . HOH FJ 41 . ? -4.030 -41.866 5.464 1.00 59.96 ? 884 HOH B O 1 +HETATM 60933 O O . HOH FJ 41 . ? 9.215 -22.678 -80.092 1.00 86.23 ? 885 HOH B O 1 +HETATM 60934 O O . HOH FJ 41 . ? 10.811 -29.342 -73.676 1.00 72.47 ? 886 HOH B O 1 +HETATM 60935 O O . HOH FJ 41 . ? -7.753 -5.206 -39.847 1.00 112.55 ? 887 HOH B O 1 +HETATM 60936 O O A HOH GJ 41 . ? 44.022 -39.803 -57.302 0.40 51.33 ? 601 HOH C O 1 +HETATM 60937 O O B HOH GJ 41 . ? 44.097 -39.815 -57.183 0.60 51.34 ? 601 HOH C O 1 +HETATM 60938 O O . HOH GJ 41 . ? 46.900 -59.051 -10.823 1.00 65.47 ? 602 HOH C O 1 +HETATM 60939 O O . HOH GJ 41 . ? 34.537 -37.037 -88.477 1.00 88.24 ? 603 HOH C O 1 +HETATM 60940 O O . HOH GJ 41 . ? 46.987 -33.587 -65.945 1.00 70.78 ? 604 HOH C O 1 +HETATM 60941 O O . HOH GJ 41 . ? 15.342 -56.118 -73.040 1.00 63.49 ? 605 HOH C O 1 +HETATM 60942 O O A HOH GJ 41 . ? 41.490 -35.880 -64.066 0.40 53.72 ? 606 HOH C O 1 +HETATM 60943 O O B HOH GJ 41 . ? 41.485 -35.910 -64.163 0.60 53.92 ? 606 HOH C O 1 +HETATM 60944 O O A HOH GJ 41 . ? 21.022 -43.392 -70.851 0.40 70.32 ? 607 HOH C O 1 +HETATM 60945 O O B HOH GJ 41 . ? 21.010 -43.338 -70.717 0.60 70.39 ? 607 HOH C O 1 +HETATM 60946 O O . HOH GJ 41 . ? 28.372 -38.895 -86.344 1.00 78.02 ? 608 HOH C O 1 +HETATM 60947 O O . HOH GJ 41 . ? 45.662 -56.956 -69.187 1.00 60.57 ? 609 HOH C O 1 +HETATM 60948 O O . HOH GJ 41 . ? 30.281 -47.792 -82.017 1.00 65.08 ? 610 HOH C O 1 +HETATM 60949 O O . HOH GJ 41 . ? 45.734 -70.823 -29.335 1.00 64.56 ? 611 HOH C O 1 +HETATM 60950 O O . HOH GJ 41 . ? 43.852 -45.463 -80.965 1.00 89.36 ? 612 HOH C O 1 +HETATM 60951 O O . HOH GJ 41 . ? 41.653 -46.970 -77.430 1.00 69.19 ? 613 HOH C O 1 +HETATM 60952 O O . HOH GJ 41 . ? 42.512 -45.636 -74.957 1.00 50.67 ? 614 HOH C O 1 +HETATM 60953 O O . HOH GJ 41 . ? 29.672 -63.672 -76.696 1.00 68.73 ? 615 HOH C O 1 +HETATM 60954 O O A HOH GJ 41 . ? 17.982 -49.145 -61.851 0.40 49.48 ? 616 HOH C O 1 +HETATM 60955 O O B HOH GJ 41 . ? 18.090 -49.182 -61.909 0.60 49.36 ? 616 HOH C O 1 +HETATM 60956 O O A HOH GJ 41 . ? 18.166 -41.363 -67.724 0.40 56.03 ? 617 HOH C O 1 +HETATM 60957 O O B HOH GJ 41 . ? 18.025 -41.355 -67.821 0.60 56.31 ? 617 HOH C O 1 +HETATM 60958 O O . HOH GJ 41 . ? 61.768 -67.880 -33.137 1.00 90.57 ? 618 HOH C O 1 +HETATM 60959 O O . HOH GJ 41 . ? 28.621 -36.361 -89.615 1.00 104.83 ? 619 HOH C O 1 +HETATM 60960 O O A HOH GJ 41 . ? 28.170 -23.711 -68.377 0.40 90.03 ? 620 HOH C O 1 +HETATM 60961 O O B HOH GJ 41 . ? 28.350 -23.347 -68.323 0.60 93.20 ? 620 HOH C O 1 +HETATM 60962 O O . HOH GJ 41 . ? 53.472 -76.516 -40.445 1.00 61.18 ? 621 HOH C O 1 +HETATM 60963 O O . HOH GJ 41 . ? 55.009 -80.308 -38.651 1.00 60.34 ? 622 HOH C O 1 +HETATM 60964 O O . HOH GJ 41 . ? 31.387 -57.079 -70.344 1.00 53.48 ? 623 HOH C O 1 +HETATM 60965 O O . HOH GJ 41 . ? 44.831 -86.446 -39.303 1.00 89.02 ? 624 HOH C O 1 +HETATM 60966 O O . HOH GJ 41 . ? 34.799 -64.186 -67.699 1.00 53.21 ? 625 HOH C O 1 +HETATM 60967 O O . HOH GJ 41 . ? 30.317 -64.181 -73.734 1.00 60.82 ? 626 HOH C O 1 +HETATM 60968 O O . HOH GJ 41 . ? 50.519 -35.761 -75.339 1.00 79.94 ? 627 HOH C O 1 +HETATM 60969 O O . HOH GJ 41 . ? 53.073 -62.469 -79.302 1.00 75.91 ? 628 HOH C O 1 +HETATM 60970 O O . HOH GJ 41 . ? 39.371 -57.368 -80.127 1.00 76.10 ? 629 HOH C O 1 +HETATM 60971 O O . HOH GJ 41 . ? 50.183 -24.982 -66.950 1.00 59.23 ? 630 HOH C O 1 +HETATM 60972 O O . HOH GJ 41 . ? 54.256 -63.407 -44.413 1.00 48.30 ? 631 HOH C O 1 +HETATM 60973 O O . HOH GJ 41 . ? 55.349 -57.183 -34.494 1.00 55.25 ? 632 HOH C O 1 +HETATM 60974 O O . HOH GJ 41 . ? 63.459 -75.568 -38.975 1.00 72.61 ? 633 HOH C O 1 +HETATM 60975 O O A HOH GJ 41 . ? 30.712 -36.813 -68.267 0.40 50.68 ? 634 HOH C O 1 +HETATM 60976 O O B HOH GJ 41 . ? 30.547 -36.872 -68.188 0.60 50.93 ? 634 HOH C O 1 +HETATM 60977 O O . HOH GJ 41 . ? 49.158 -51.347 -74.434 1.00 55.07 ? 635 HOH C O 1 +HETATM 60978 O O . HOH GJ 41 . ? 33.646 -23.636 -75.280 1.00 48.89 ? 636 HOH C O 1 +HETATM 60979 O O . HOH GJ 41 . ? 48.318 -26.133 -77.034 1.00 64.66 ? 637 HOH C O 1 +HETATM 60980 O O . HOH GJ 41 . ? 67.556 -63.812 -43.808 1.00 63.36 ? 638 HOH C O 1 +HETATM 60981 O O A HOH GJ 41 . ? 32.267 -25.886 -68.725 0.40 44.40 ? 639 HOH C O 1 +HETATM 60982 O O B HOH GJ 41 . ? 32.458 -25.858 -68.573 0.60 43.79 ? 639 HOH C O 1 +HETATM 60983 O O . HOH GJ 41 . ? 39.162 -39.051 -14.016 1.00 57.12 ? 640 HOH C O 1 +HETATM 60984 O O A HOH GJ 41 . ? 25.198 -46.730 -74.356 0.40 58.62 ? 641 HOH C O 1 +HETATM 60985 O O B HOH GJ 41 . ? 25.086 -46.740 -74.386 0.60 58.79 ? 641 HOH C O 1 +HETATM 60986 O O . HOH GJ 41 . ? 27.523 -55.959 -74.149 1.00 68.28 ? 642 HOH C O 1 +HETATM 60987 O O . HOH GJ 41 . ? 21.761 -56.310 -75.248 1.00 67.97 ? 643 HOH C O 1 +HETATM 60988 O O . HOH GJ 41 . ? 12.936 -52.147 -72.295 1.00 63.91 ? 644 HOH C O 1 +HETATM 60989 O O . HOH GJ 41 . ? 53.805 -48.008 -75.128 1.00 58.07 ? 645 HOH C O 1 +HETATM 60990 O O . HOH GJ 41 . ? 36.929 -59.012 -80.289 1.00 65.03 ? 646 HOH C O 1 +HETATM 60991 O O . HOH GJ 41 . ? 12.908 -60.659 -62.706 1.00 52.28 ? 647 HOH C O 1 +HETATM 60992 O O A HOH GJ 41 . ? 27.181 -48.131 -69.926 0.40 64.18 ? 648 HOH C O 1 +HETATM 60993 O O B HOH GJ 41 . ? 27.372 -47.859 -70.190 0.60 67.34 ? 648 HOH C O 1 +HETATM 60994 O O . HOH GJ 41 . ? 26.967 -24.052 -78.777 1.00 50.01 ? 649 HOH C O 1 +HETATM 60995 O O A HOH GJ 41 . ? 34.278 -49.622 -70.046 0.40 51.52 ? 650 HOH C O 1 +HETATM 60996 O O B HOH GJ 41 . ? 34.323 -49.588 -69.958 0.60 51.63 ? 650 HOH C O 1 +HETATM 60997 O O A HOH GJ 41 . ? 37.695 -58.884 -12.031 0.40 60.99 ? 651 HOH C O 1 +HETATM 60998 O O B HOH GJ 41 . ? 37.799 -58.722 -12.164 0.60 60.46 ? 651 HOH C O 1 +HETATM 60999 O O . HOH GJ 41 . ? 43.932 -48.042 -74.260 1.00 48.74 ? 652 HOH C O 1 +HETATM 61000 O O . HOH GJ 41 . ? 36.137 -21.567 -74.339 1.00 55.81 ? 653 HOH C O 1 +HETATM 61001 O O . HOH GJ 41 . ? 48.850 -78.401 -35.683 1.00 69.31 ? 654 HOH C O 1 +HETATM 61002 O O . HOH GJ 41 . ? 47.544 -72.231 -52.596 1.00 62.53 ? 655 HOH C O 1 +HETATM 61003 O O . HOH GJ 41 . ? 52.223 -85.328 -46.701 1.00 59.68 ? 656 HOH C O 1 +HETATM 61004 O O A HOH GJ 41 . ? 39.411 -25.749 -64.085 0.40 51.18 ? 657 HOH C O 1 +HETATM 61005 O O B HOH GJ 41 . ? 39.409 -25.827 -64.085 0.60 51.32 ? 657 HOH C O 1 +HETATM 61006 O O A HOH GJ 41 . ? 29.382 -50.944 -67.019 0.40 63.30 ? 658 HOH C O 1 +HETATM 61007 O O B HOH GJ 41 . ? 29.606 -51.127 -67.066 0.60 64.95 ? 658 HOH C O 1 +HETATM 61008 O O . HOH GJ 41 . ? 48.849 -86.530 -44.671 1.00 67.00 ? 659 HOH C O 1 +HETATM 61009 O O . HOH GJ 41 . ? 46.483 -68.829 -12.241 1.00 78.10 ? 660 HOH C O 1 +HETATM 61010 O O . HOH GJ 41 . ? 51.382 -38.659 -63.949 1.00 79.03 ? 661 HOH C O 1 +HETATM 61011 O O . HOH GJ 41 . ? 37.879 -56.180 -78.076 1.00 56.86 ? 662 HOH C O 1 +HETATM 61012 O O . HOH GJ 41 . ? 43.338 -69.792 -13.186 1.00 89.80 ? 663 HOH C O 1 +HETATM 61013 O O . HOH GJ 41 . ? 54.397 -46.673 -78.785 1.00 67.60 ? 664 HOH C O 1 +HETATM 61014 O O A HOH GJ 41 . ? 19.997 -50.791 -71.519 0.40 50.67 ? 665 HOH C O 1 +HETATM 61015 O O B HOH GJ 41 . ? 20.251 -50.699 -71.671 0.60 51.40 ? 665 HOH C O 1 +HETATM 61016 O O A HOH GJ 41 . ? 41.832 -43.103 -67.198 0.40 49.26 ? 666 HOH C O 1 +HETATM 61017 O O B HOH GJ 41 . ? 41.960 -43.095 -67.201 0.60 49.37 ? 666 HOH C O 1 +HETATM 61018 O O . HOH GJ 41 . ? 38.662 -45.517 -10.815 1.00 75.76 ? 667 HOH C O 1 +HETATM 61019 O O . HOH GJ 41 . ? 47.769 -45.775 -80.873 1.00 70.63 ? 668 HOH C O 1 +HETATM 61020 O O A HOH GJ 41 . ? 42.359 -35.015 -71.357 0.40 59.59 ? 669 HOH C O 1 +HETATM 61021 O O B HOH GJ 41 . ? 42.286 -35.044 -71.357 0.60 59.77 ? 669 HOH C O 1 +HETATM 61022 O O . HOH GJ 41 . ? 28.114 -61.855 -75.727 1.00 68.29 ? 670 HOH C O 1 +HETATM 61023 O O . HOH GJ 41 . ? 48.697 -38.701 -64.626 1.00 68.93 ? 671 HOH C O 1 +HETATM 61024 O O . HOH GJ 41 . ? 47.030 -76.539 -34.325 1.00 80.41 ? 672 HOH C O 1 +HETATM 61025 O O . HOH GJ 41 . ? 22.675 -60.603 -65.736 1.00 55.16 ? 673 HOH C O 1 +HETATM 61026 O O . HOH GJ 41 . ? 31.859 -39.154 -81.763 1.00 59.72 ? 674 HOH C O 1 +HETATM 61027 O O A HOH GJ 41 . ? 39.814 -61.718 -11.606 0.40 59.67 ? 675 HOH C O 1 +HETATM 61028 O O B HOH GJ 41 . ? 39.772 -61.755 -11.664 0.60 59.68 ? 675 HOH C O 1 +HETATM 61029 O O . HOH GJ 41 . ? 38.318 -58.953 -83.476 1.00 87.72 ? 676 HOH C O 1 +HETATM 61030 O O . HOH GJ 41 . ? 46.903 -58.683 -29.417 1.00 51.23 ? 677 HOH C O 1 +HETATM 61031 O O . HOH GJ 41 . ? 36.070 -22.306 -82.318 1.00 59.24 ? 678 HOH C O 1 +HETATM 61032 O O A HOH GJ 41 . ? 32.340 -42.720 -67.341 0.40 53.10 ? 679 HOH C O 1 +HETATM 61033 O O B HOH GJ 41 . ? 32.415 -42.660 -67.358 0.60 53.29 ? 679 HOH C O 1 +HETATM 61034 O O . HOH GJ 41 . ? 44.784 -30.501 -72.000 1.00 59.93 ? 680 HOH C O 1 +HETATM 61035 O O A HOH GJ 41 . ? 47.389 -33.702 -57.146 0.40 51.16 ? 681 HOH C O 1 +HETATM 61036 O O B HOH GJ 41 . ? 47.565 -33.645 -57.203 0.60 51.24 ? 681 HOH C O 1 +HETATM 61037 O O A HOH GJ 41 . ? 18.699 -43.487 -73.391 0.40 88.05 ? 682 HOH C O 1 +HETATM 61038 O O B HOH GJ 41 . ? 18.903 -43.448 -73.353 0.60 88.72 ? 682 HOH C O 1 +HETATM 61039 O O A HOH GJ 41 . ? 38.262 -31.901 -69.115 0.40 51.10 ? 683 HOH C O 1 +HETATM 61040 O O B HOH GJ 41 . ? 38.189 -31.918 -69.236 0.60 51.62 ? 683 HOH C O 1 +HETATM 61041 O O . HOH GJ 41 . ? 48.348 -58.977 -69.183 1.00 62.96 ? 684 HOH C O 1 +HETATM 61042 O O . HOH GJ 41 . ? 37.000 -48.247 -86.221 1.00 90.56 ? 685 HOH C O 1 +HETATM 61043 O O . HOH GJ 41 . ? 61.657 -50.359 -77.413 1.00 61.03 ? 686 HOH C O 1 +HETATM 61044 O O . HOH GJ 41 . ? 44.740 -47.415 -79.626 1.00 71.57 ? 687 HOH C O 1 +HETATM 61045 O O . HOH GJ 41 . ? 20.654 -32.119 -79.476 1.00 63.36 ? 688 HOH C O 1 +HETATM 61046 O O . HOH GJ 41 . ? 35.392 -74.751 -69.247 1.00 78.87 ? 689 HOH C O 1 +HETATM 61047 O O . HOH GJ 41 . ? 49.059 -67.922 -33.039 1.00 61.28 ? 690 HOH C O 1 +HETATM 61048 O O . HOH GJ 41 . ? 51.326 -66.297 -32.406 1.00 59.19 ? 691 HOH C O 1 +HETATM 61049 O O . HOH GJ 41 . ? 35.838 -21.128 -69.734 1.00 46.58 ? 692 HOH C O 1 +HETATM 61050 O O . HOH GJ 41 . ? 44.036 -35.818 -85.149 1.00 70.62 ? 693 HOH C O 1 +HETATM 61051 O O . HOH GJ 41 . ? 24.579 -59.789 -64.202 1.00 47.99 ? 694 HOH C O 1 +HETATM 61052 O O A HOH GJ 41 . ? 37.226 -47.129 -65.307 0.40 51.60 ? 695 HOH C O 1 +HETATM 61053 O O B HOH GJ 41 . ? 37.189 -47.196 -65.296 0.60 51.85 ? 695 HOH C O 1 +HETATM 61054 O O . HOH GJ 41 . ? 50.864 -69.708 -35.065 1.00 67.19 ? 696 HOH C O 1 +HETATM 61055 O O A HOH GJ 41 . ? 29.778 -30.825 -61.338 0.40 59.04 ? 697 HOH C O 1 +HETATM 61056 O O A HOH GJ 41 . ? 26.786 -50.349 -74.325 0.40 64.80 ? 698 HOH C O 1 +HETATM 61057 O O B HOH GJ 41 . ? 26.620 -50.423 -74.097 0.60 65.56 ? 698 HOH C O 1 +HETATM 61058 O O . HOH GJ 41 . ? 46.366 -57.773 -64.891 1.00 62.53 ? 699 HOH C O 1 +HETATM 61059 O O . HOH GJ 41 . ? 34.827 -24.344 -83.923 1.00 51.35 ? 700 HOH C O 1 +HETATM 61060 O O . HOH GJ 41 . ? 45.932 -78.322 -32.557 1.00 74.97 ? 701 HOH C O 1 +HETATM 61061 O O . HOH GJ 41 . ? 37.443 -69.987 -39.070 1.00 78.77 ? 702 HOH C O 1 +HETATM 61062 O O . HOH GJ 41 . ? 38.466 -31.046 -87.349 1.00 63.34 ? 703 HOH C O 1 +HETATM 61063 O O A HOH GJ 41 . ? 31.104 -35.487 -70.685 0.40 44.96 ? 704 HOH C O 1 +HETATM 61064 O O B HOH GJ 41 . ? 31.158 -35.440 -70.559 0.60 45.23 ? 704 HOH C O 1 +HETATM 61065 O O A HOH GJ 41 . ? 41.707 -38.381 -61.491 0.40 57.42 ? 705 HOH C O 1 +HETATM 61066 O O B HOH GJ 41 . ? 41.536 -38.598 -61.663 0.60 59.49 ? 705 HOH C O 1 +HETATM 61067 O O . HOH GJ 41 . ? 46.962 -28.689 -62.203 1.00 59.34 ? 706 HOH C O 1 +HETATM 61068 O O . HOH GJ 41 . ? 55.994 -77.494 -38.886 1.00 73.85 ? 707 HOH C O 1 +HETATM 61069 O O A HOH GJ 41 . ? 38.067 -69.235 -22.192 0.40 55.57 ? 708 HOH C O 1 +HETATM 61070 O O B HOH GJ 41 . ? 38.001 -69.161 -22.135 0.60 55.69 ? 708 HOH C O 1 +HETATM 61071 O O . HOH GJ 41 . ? 30.449 -51.830 -80.331 1.00 58.11 ? 709 HOH C O 1 +HETATM 61072 O O . HOH GJ 41 . ? 53.563 -71.049 -34.870 1.00 72.15 ? 710 HOH C O 1 +HETATM 61073 O O A HOH GJ 41 . ? 31.466 -32.850 -69.766 0.40 45.25 ? 711 HOH C O 1 +HETATM 61074 O O B HOH GJ 41 . ? 31.457 -32.804 -69.628 0.60 45.73 ? 711 HOH C O 1 +HETATM 61075 O O A HOH GJ 41 . ? 21.364 -49.661 -65.758 0.40 49.01 ? 712 HOH C O 1 +HETATM 61076 O O B HOH GJ 41 . ? 21.470 -49.573 -65.856 0.60 49.32 ? 712 HOH C O 1 +HETATM 61077 O O A HOH GJ 41 . ? 40.197 -32.328 -71.406 0.40 49.80 ? 713 HOH C O 1 +HETATM 61078 O O B HOH GJ 41 . ? 40.056 -32.307 -71.580 0.60 49.77 ? 713 HOH C O 1 +HETATM 61079 O O . HOH GJ 41 . ? 52.675 -42.791 -73.813 1.00 83.94 ? 714 HOH C O 1 +HETATM 61080 O O . HOH GJ 41 . ? 33.778 -31.063 -86.071 1.00 59.78 ? 715 HOH C O 1 +HETATM 61081 O O A HOH GJ 41 . ? 37.354 -63.589 -11.456 0.40 79.84 ? 716 HOH C O 1 +HETATM 61082 O O B HOH GJ 41 . ? 37.347 -63.590 -11.241 0.60 80.21 ? 716 HOH C O 1 +HETATM 61083 O O A HOH GJ 41 . ? 42.469 -40.891 -65.828 0.40 53.72 ? 717 HOH C O 1 +HETATM 61084 O O B HOH GJ 41 . ? 42.549 -40.920 -65.751 0.60 53.78 ? 717 HOH C O 1 +HETATM 61085 O O . HOH GJ 41 . ? 48.834 -70.232 -27.830 1.00 111.00 ? 718 HOH C O 1 +HETATM 61086 O O A HOH GJ 41 . ? 22.761 -48.448 -72.353 0.40 63.51 ? 719 HOH C O 1 +HETATM 61087 O O B HOH GJ 41 . ? 22.711 -48.566 -72.384 0.60 63.71 ? 719 HOH C O 1 +HETATM 61088 O O . HOH GJ 41 . ? 44.941 -67.354 -22.739 1.00 69.01 ? 720 HOH C O 1 +HETATM 61089 O O . HOH GJ 41 . ? 42.437 -51.166 -11.310 1.00 87.31 ? 721 HOH C O 1 +HETATM 61090 O O . HOH GJ 41 . ? 33.767 -78.801 -32.892 1.00 85.51 ? 722 HOH C O 1 +HETATM 61091 O O . HOH GJ 41 . ? 49.212 -34.405 -65.208 1.00 93.64 ? 723 HOH C O 1 +HETATM 61092 O O . HOH GJ 41 . ? 43.832 -61.201 -10.246 1.00 81.05 ? 724 HOH C O 1 +HETATM 61093 O O . HOH GJ 41 . ? 45.778 -65.079 -19.451 1.00 77.26 ? 725 HOH C O 1 +HETATM 61094 O O . HOH GJ 41 . ? 30.093 -36.420 -83.789 1.00 89.22 ? 726 HOH C O 1 +HETATM 61095 O O . HOH GJ 41 . ? 30.661 -19.444 -80.303 1.00 79.89 ? 727 HOH C O 1 +HETATM 61096 O O . HOH GJ 41 . ? 37.522 -83.581 -38.942 1.00 76.99 ? 728 HOH C O 1 +HETATM 61097 O O . HOH GJ 41 . ? 36.934 -51.175 -79.955 1.00 78.36 ? 729 HOH C O 1 +HETATM 61098 O O . HOH GJ 41 . ? 55.992 -76.326 -36.227 1.00 92.46 ? 730 HOH C O 1 +HETATM 61099 O O . HOH GJ 41 . ? 20.084 -60.430 -75.281 1.00 76.44 ? 731 HOH C O 1 +HETATM 61100 O O . HOH GJ 41 . ? 53.140 -76.512 -45.573 1.00 86.02 ? 732 HOH C O 1 +HETATM 61101 O O . HOH GJ 41 . ? 40.075 -41.969 -90.135 1.00 69.46 ? 733 HOH C O 1 +HETATM 61102 O O . HOH GJ 41 . ? 29.246 -17.391 -76.686 1.00 50.69 ? 734 HOH C O 1 +HETATM 61103 O O . HOH GJ 41 . ? 26.379 -32.708 -86.889 1.00 59.56 ? 735 HOH C O 1 +HETATM 61104 O O . HOH GJ 41 . ? 49.279 -40.911 -69.207 1.00 75.98 ? 736 HOH C O 1 +HETATM 61105 O O . HOH GJ 41 . ? 32.809 -16.485 -82.606 1.00 77.91 ? 737 HOH C O 1 +HETATM 61106 O O A HOH GJ 41 . ? 28.928 -36.126 -66.405 0.40 54.89 ? 738 HOH C O 1 +HETATM 61107 O O B HOH GJ 41 . ? 29.003 -36.059 -66.387 0.60 55.12 ? 738 HOH C O 1 +HETATM 61108 O O . HOH GJ 41 . ? 31.310 -45.578 -83.206 1.00 52.07 ? 739 HOH C O 1 +HETATM 61109 O O . HOH GJ 41 . ? 34.780 -64.974 -65.071 1.00 50.31 ? 740 HOH C O 1 +HETATM 61110 O O . HOH GJ 41 . ? 47.550 -70.505 -31.333 1.00 76.15 ? 741 HOH C O 1 +HETATM 61111 O O . HOH GJ 41 . ? 48.306 -36.750 -67.040 1.00 84.95 ? 742 HOH C O 1 +HETATM 61112 O O . HOH GJ 41 . ? 40.094 -46.969 -12.697 1.00 62.74 ? 743 HOH C O 1 +HETATM 61113 O O . HOH GJ 41 . ? 51.411 -63.680 -14.748 1.00 92.52 ? 744 HOH C O 1 +HETATM 61114 O O . HOH GJ 41 . ? 49.694 -64.962 -81.686 1.00 81.35 ? 745 HOH C O 1 +HETATM 61115 O O . HOH GJ 41 . ? 22.253 -61.015 -74.267 1.00 78.54 ? 746 HOH C O 1 +HETATM 61116 O O . HOH GJ 41 . ? 47.023 -22.832 -59.864 1.00 74.93 ? 747 HOH C O 1 +HETATM 61117 O O . HOH GJ 41 . ? 48.714 -59.342 -12.647 1.00 76.50 ? 748 HOH C O 1 +HETATM 61118 O O . HOH GJ 41 . ? 26.191 -53.474 -77.541 1.00 68.20 ? 749 HOH C O 1 +HETATM 61119 O O . HOH GJ 41 . ? 72.412 -58.391 -34.746 1.00 92.50 ? 750 HOH C O 1 +HETATM 61120 O O . HOH GJ 41 . ? 47.243 -56.984 -67.477 1.00 76.86 ? 751 HOH C O 1 +HETATM 61121 O O . HOH GJ 41 . ? 29.393 -39.715 -83.522 1.00 71.64 ? 752 HOH C O 1 +HETATM 61122 O O . HOH GJ 41 . ? 70.881 -55.620 -34.229 1.00 92.65 ? 753 HOH C O 1 +HETATM 61123 O O . HOH GJ 41 . ? 60.770 -57.354 -27.890 1.00 80.43 ? 754 HOH C O 1 +HETATM 61124 O O A HOH GJ 41 . ? 30.360 -25.680 -66.809 0.40 60.55 ? 755 HOH C O 1 +HETATM 61125 O O B HOH GJ 41 . ? 30.321 -25.624 -66.817 0.60 60.88 ? 755 HOH C O 1 +HETATM 61126 O O . HOH GJ 41 . ? 29.291 -50.332 -82.263 1.00 71.10 ? 756 HOH C O 1 +HETATM 61127 O O . HOH GJ 41 . ? 55.825 -45.896 -76.309 1.00 76.54 ? 757 HOH C O 1 +HETATM 61128 O O . HOH GJ 41 . ? 50.661 -39.622 -72.841 1.00 102.52 ? 758 HOH C O 1 +HETATM 61129 O O . HOH GJ 41 . ? 34.143 -49.169 -83.294 1.00 92.04 ? 759 HOH C O 1 +HETATM 61130 O O . HOH GJ 41 . ? 48.665 -41.848 -79.844 1.00 102.20 ? 760 HOH C O 1 +HETATM 61131 O O A HOH GJ 41 . ? 25.405 -49.121 -72.042 0.40 57.95 ? 761 HOH C O 1 +HETATM 61132 O O B HOH GJ 41 . ? 25.482 -49.129 -72.026 0.60 58.05 ? 761 HOH C O 1 +HETATM 61133 O O . HOH GJ 41 . ? 27.210 -53.072 -75.188 1.00 69.25 ? 762 HOH C O 1 +HETATM 61134 O O . HOH GJ 41 . ? 27.820 -35.686 -86.384 1.00 80.18 ? 763 HOH C O 1 +HETATM 61135 O O . HOH GJ 41 . ? 52.728 -67.947 -30.668 1.00 75.55 ? 764 HOH C O 1 +HETATM 61136 O O . HOH GJ 41 . ? 37.595 -31.707 -89.619 1.00 91.96 ? 765 HOH C O 1 +HETATM 61137 O O A HOH GJ 41 . ? 41.220 -38.720 -64.492 0.40 56.70 ? 766 HOH C O 1 +HETATM 61138 O O B HOH GJ 41 . ? 41.201 -38.689 -64.527 0.60 56.87 ? 766 HOH C O 1 +HETATM 61139 O O . HOH GJ 41 . ? 48.825 -31.929 -63.152 1.00 71.69 ? 767 HOH C O 1 +HETATM 61140 O O . HOH GJ 41 . ? 32.118 -52.428 -82.604 1.00 69.38 ? 768 HOH C O 1 +HETATM 61141 O O . HOH GJ 41 . ? 51.615 -40.783 -74.673 1.00 105.57 ? 769 HOH C O 1 +HETATM 61142 O O . HOH HJ 41 . ? 0.706 -74.275 -24.091 1.00 55.64 ? 501 HOH D O 1 +HETATM 61143 O O . HOH HJ 41 . ? -11.149 -39.953 -49.436 1.00 61.24 ? 502 HOH D O 1 +HETATM 61144 O O . HOH HJ 41 . ? -9.601 -41.357 -56.468 1.00 66.61 ? 503 HOH D O 1 +HETATM 61145 O O . HOH HJ 41 . ? -9.980 -50.790 -55.113 1.00 69.35 ? 504 HOH D O 1 +HETATM 61146 O O . HOH HJ 41 . ? -6.794 -34.876 -54.896 1.00 58.78 ? 505 HOH D O 1 +HETATM 61147 O O . HOH HJ 41 . ? -2.717 -36.151 -54.900 1.00 61.81 ? 506 HOH D O 1 +HETATM 61148 O O A HOH HJ 41 . ? 35.045 -57.725 -13.103 0.40 56.46 ? 507 HOH D O 1 +HETATM 61149 O O B HOH HJ 41 . ? 35.063 -57.739 -13.197 0.60 56.49 ? 507 HOH D O 1 +HETATM 61150 O O A HOH HJ 41 . ? 31.383 -57.431 -12.092 0.40 59.19 ? 508 HOH D O 1 +HETATM 61151 O O B HOH HJ 41 . ? 31.290 -57.564 -12.278 0.60 59.46 ? 508 HOH D O 1 +HETATM 61152 O O . HOH HJ 41 . ? 10.026 -75.205 -27.354 1.00 59.83 ? 509 HOH D O 1 +HETATM 61153 O O . HOH HJ 41 . ? 0.535 -67.161 -27.387 1.00 53.09 ? 510 HOH D O 1 +HETATM 61154 O O A HOH HJ 41 . ? 26.305 -30.199 -55.595 0.40 45.20 ? 511 HOH D O 1 +HETATM 61155 O O B HOH HJ 41 . ? 26.310 -30.185 -55.567 0.60 45.24 ? 511 HOH D O 1 +HETATM 61156 O O . HOH HJ 41 . ? -2.982 -66.425 -19.019 1.00 65.68 ? 512 HOH D O 1 +HETATM 61157 O O . HOH HJ 41 . ? -16.201 -55.199 -49.749 1.00 53.45 ? 513 HOH D O 1 +HETATM 61158 O O . HOH HJ 41 . ? 22.013 -16.695 -59.369 1.00 55.12 ? 514 HOH D O 1 +HETATM 61159 O O . HOH HJ 41 . ? -4.536 -38.384 -54.758 1.00 62.73 ? 515 HOH D O 1 +HETATM 61160 O O . HOH HJ 41 . ? -3.854 -82.368 -25.973 1.00 72.98 ? 516 HOH D O 1 +HETATM 61161 O O . HOH HJ 41 . ? -4.104 -53.625 -55.125 1.00 55.69 ? 517 HOH D O 1 +HETATM 61162 O O A HOH HJ 41 . ? 19.128 -53.851 -16.530 0.40 59.68 ? 518 HOH D O 1 +HETATM 61163 O O B HOH HJ 41 . ? 18.972 -53.670 -16.394 0.60 60.46 ? 518 HOH D O 1 +HETATM 61164 O O A HOH HJ 41 . ? 32.726 -68.733 -18.058 0.40 54.82 ? 519 HOH D O 1 +HETATM 61165 O O B HOH HJ 41 . ? 32.677 -68.728 -18.048 0.60 54.73 ? 519 HOH D O 1 +HETATM 61166 O O A HOH HJ 41 . ? 30.755 -58.938 -16.310 0.40 67.04 ? 520 HOH D O 1 +HETATM 61167 O O B HOH HJ 41 . ? 30.725 -59.130 -16.319 0.60 67.59 ? 520 HOH D O 1 +HETATM 61168 O O . HOH HJ 41 . ? -8.497 -59.800 -64.718 1.00 65.12 ? 521 HOH D O 1 +HETATM 61169 O O . HOH HJ 41 . ? 8.632 -24.090 -41.374 1.00 43.12 ? 522 HOH D O 1 +HETATM 61170 O O . HOH HJ 41 . ? 5.060 -54.503 -58.529 1.00 45.58 ? 523 HOH D O 1 +HETATM 61171 O O A HOH HJ 41 . ? 33.402 -67.138 -26.925 0.40 56.16 ? 524 HOH D O 1 +HETATM 61172 O O B HOH HJ 41 . ? 33.525 -67.206 -27.033 0.60 56.24 ? 524 HOH D O 1 +HETATM 61173 O O . HOH HJ 41 . ? 10.629 -28.834 -69.231 1.00 57.47 ? 525 HOH D O 1 +HETATM 61174 O O . HOH HJ 41 . ? -0.660 -58.703 -54.936 1.00 55.03 ? 526 HOH D O 1 +HETATM 61175 O O . HOH HJ 41 . ? 9.593 -27.444 -52.925 1.00 43.68 ? 527 HOH D O 1 +HETATM 61176 O O . HOH HJ 41 . ? 1.315 -45.159 -55.638 1.00 51.14 ? 528 HOH D O 1 +HETATM 61177 O O . HOH HJ 41 . ? 14.381 -64.924 -60.039 1.00 56.56 ? 529 HOH D O 1 +HETATM 61178 O O . HOH HJ 41 . ? 9.098 -33.408 -42.754 1.00 44.83 ? 530 HOH D O 1 +HETATM 61179 O O . HOH HJ 41 . ? 6.065 -34.335 -38.479 1.00 43.84 ? 531 HOH D O 1 +HETATM 61180 O O A HOH HJ 41 . ? 22.544 -29.927 -65.530 0.40 48.78 ? 532 HOH D O 1 +HETATM 61181 O O B HOH HJ 41 . ? 22.746 -29.832 -65.617 0.60 48.88 ? 532 HOH D O 1 +HETATM 61182 O O . HOH HJ 41 . ? 9.711 -56.807 -61.789 1.00 56.21 ? 533 HOH D O 1 +HETATM 61183 O O . HOH HJ 41 . ? 41.568 -68.550 -28.715 1.00 61.92 ? 534 HOH D O 1 +HETATM 61184 O O A HOH HJ 41 . ? 28.912 -59.376 -12.682 0.40 71.46 ? 535 HOH D O 1 +HETATM 61185 O O B HOH HJ 41 . ? 28.876 -59.455 -12.798 0.60 71.51 ? 535 HOH D O 1 +HETATM 61186 O O A HOH HJ 41 . ? 23.968 -26.400 -56.653 0.40 50.50 ? 536 HOH D O 1 +HETATM 61187 O O B HOH HJ 41 . ? 24.146 -26.346 -56.545 0.60 50.41 ? 536 HOH D O 1 +HETATM 61188 O O A HOH HJ 41 . ? 41.110 -68.342 -15.070 0.40 70.27 ? 537 HOH D O 1 +HETATM 61189 O O B HOH HJ 41 . ? 40.971 -68.354 -15.105 0.60 70.35 ? 537 HOH D O 1 +HETATM 61190 O O . HOH HJ 41 . ? 5.237 -29.670 -74.172 1.00 52.45 ? 538 HOH D O 1 +HETATM 61191 O O . HOH HJ 41 . ? 11.481 -31.516 -71.121 1.00 67.12 ? 539 HOH D O 1 +HETATM 61192 O O . HOH HJ 41 . ? -12.609 -77.309 -20.266 1.00 64.63 ? 540 HOH D O 1 +HETATM 61193 O O . HOH HJ 41 . ? 37.909 -73.019 -32.179 1.00 70.92 ? 541 HOH D O 1 +HETATM 61194 O O . HOH HJ 41 . ? 10.484 -59.087 -63.250 1.00 49.11 ? 542 HOH D O 1 +HETATM 61195 O O . HOH HJ 41 . ? 16.448 -37.700 -41.153 1.00 39.47 ? 543 HOH D O 1 +HETATM 61196 O O . HOH HJ 41 . ? -2.273 -34.959 -48.922 1.00 48.33 ? 544 HOH D O 1 +HETATM 61197 O O . HOH HJ 41 . ? -2.096 -39.312 -62.840 1.00 46.19 ? 545 HOH D O 1 +HETATM 61198 O O . HOH HJ 41 . ? 15.812 -14.315 -44.012 1.00 48.78 ? 546 HOH D O 1 +HETATM 61199 O O . HOH HJ 41 . ? 8.501 -57.807 -52.189 1.00 47.01 ? 547 HOH D O 1 +HETATM 61200 O O . HOH HJ 41 . ? -22.593 -55.760 -47.374 1.00 77.50 ? 548 HOH D O 1 +HETATM 61201 O O . HOH HJ 41 . ? 10.611 -27.020 -40.569 1.00 60.24 ? 549 HOH D O 1 +HETATM 61202 O O . HOH HJ 41 . ? 0.430 -46.038 -53.318 1.00 54.67 ? 550 HOH D O 1 +HETATM 61203 O O A HOH HJ 41 . ? 16.206 -26.818 -68.254 0.40 48.55 ? 551 HOH D O 1 +HETATM 61204 O O B HOH HJ 41 . ? 16.291 -26.780 -68.115 0.60 49.04 ? 551 HOH D O 1 +HETATM 61205 O O . HOH HJ 41 . ? 3.434 -39.399 -56.125 1.00 47.03 ? 552 HOH D O 1 +HETATM 61206 O O A HOH HJ 41 . ? 19.769 -24.402 -54.502 0.40 45.07 ? 553 HOH D O 1 +HETATM 61207 O O B HOH HJ 41 . ? 19.727 -24.443 -54.479 0.60 45.10 ? 553 HOH D O 1 +HETATM 61208 O O . HOH HJ 41 . ? 6.586 -63.536 -51.677 1.00 54.36 ? 554 HOH D O 1 +HETATM 61209 O O . HOH HJ 41 . ? 12.462 -18.948 -51.585 1.00 44.28 ? 555 HOH D O 1 +HETATM 61210 O O . HOH HJ 41 . ? 13.110 -24.489 -55.734 1.00 46.84 ? 556 HOH D O 1 +HETATM 61211 O O . HOH HJ 41 . ? -8.179 -46.850 -50.457 1.00 53.91 ? 557 HOH D O 1 +HETATM 61212 O O . HOH HJ 41 . ? -3.422 -35.063 -44.622 1.00 45.74 ? 558 HOH D O 1 +HETATM 61213 O O A HOH HJ 41 . ? 36.604 -73.395 -24.008 0.40 100.65 ? 559 HOH D O 1 +HETATM 61214 O O B HOH HJ 41 . ? 36.757 -73.437 -23.860 0.60 101.97 ? 559 HOH D O 1 +HETATM 61215 O O . HOH HJ 41 . ? -6.013 -54.758 -58.869 1.00 51.31 ? 560 HOH D O 1 +HETATM 61216 O O . HOH HJ 41 . ? 1.548 -47.904 -51.614 1.00 43.72 ? 561 HOH D O 1 +HETATM 61217 O O . HOH HJ 41 . ? 7.314 -54.396 -54.284 1.00 48.04 ? 562 HOH D O 1 +HETATM 61218 O O A HOH HJ 41 . ? 15.048 -24.667 -53.671 0.40 39.46 ? 563 HOH D O 1 +HETATM 61219 O O B HOH HJ 41 . ? 15.080 -24.702 -53.590 0.60 39.39 ? 563 HOH D O 1 +HETATM 61220 O O A HOH HJ 41 . ? 38.467 -46.761 -14.957 0.40 54.44 ? 564 HOH D O 1 +HETATM 61221 O O B HOH HJ 41 . ? 38.403 -46.905 -14.904 0.60 54.78 ? 564 HOH D O 1 +HETATM 61222 O O A HOH HJ 41 . ? 10.052 -60.021 -20.235 0.40 57.20 ? 565 HOH D O 1 +HETATM 61223 O O B HOH HJ 41 . ? 9.877 -60.043 -20.265 0.60 57.57 ? 565 HOH D O 1 +HETATM 61224 O O A HOH HJ 41 . ? 32.531 -45.492 -15.201 0.40 52.08 ? 566 HOH D O 1 +HETATM 61225 O O B HOH HJ 41 . ? 32.512 -45.435 -15.227 0.60 52.14 ? 566 HOH D O 1 +HETATM 61226 O O . HOH HJ 41 . ? 41.102 -49.715 -13.243 1.00 61.70 ? 567 HOH D O 1 +HETATM 61227 O O A HOH HJ 41 . ? 25.542 -18.745 -55.578 0.40 69.22 ? 568 HOH D O 1 +HETATM 61228 O O B HOH HJ 41 . ? 25.577 -18.821 -55.536 0.60 69.43 ? 568 HOH D O 1 +HETATM 61229 O O A HOH HJ 41 . ? 19.983 -29.335 -56.256 0.40 43.65 ? 569 HOH D O 1 +HETATM 61230 O O B HOH HJ 41 . ? 19.992 -29.338 -56.276 0.60 43.68 ? 569 HOH D O 1 +HETATM 61231 O O A HOH HJ 41 . ? 25.696 -47.942 -9.584 0.40 82.45 ? 570 HOH D O 1 +HETATM 61232 O O B HOH HJ 41 . ? 25.938 -47.871 -9.400 0.60 83.48 ? 570 HOH D O 1 +HETATM 61233 O O A HOH HJ 41 . ? 38.885 -71.445 -23.506 0.40 64.09 ? 571 HOH D O 1 +HETATM 61234 O O B HOH HJ 41 . ? 38.921 -71.381 -23.452 0.60 64.15 ? 571 HOH D O 1 +HETATM 61235 O O . HOH HJ 41 . ? 24.383 -13.964 -51.194 1.00 78.21 ? 572 HOH D O 1 +HETATM 61236 O O . HOH HJ 41 . ? -5.511 -55.824 -56.217 1.00 52.73 ? 573 HOH D O 1 +HETATM 61237 O O A HOH HJ 41 . ? 10.616 -64.490 -9.786 0.40 63.04 ? 574 HOH D O 1 +HETATM 61238 O O B HOH HJ 41 . ? 10.630 -64.512 -9.838 0.60 62.99 ? 574 HOH D O 1 +HETATM 61239 O O . HOH HJ 41 . ? 4.941 -66.125 -10.966 1.00 76.79 ? 575 HOH D O 1 +HETATM 61240 O O . HOH HJ 41 . ? -1.904 -56.302 -54.696 1.00 50.12 ? 576 HOH D O 1 +HETATM 61241 O O . HOH HJ 41 . ? -3.933 -55.960 -52.963 1.00 50.61 ? 577 HOH D O 1 +HETATM 61242 O O . HOH HJ 41 . ? 6.792 -26.683 -63.402 1.00 65.85 ? 578 HOH D O 1 +HETATM 61243 O O . HOH HJ 41 . ? 3.521 -77.332 -29.757 1.00 73.34 ? 579 HOH D O 1 +HETATM 61244 O O . HOH HJ 41 . ? 6.683 -27.024 -43.269 1.00 42.95 ? 580 HOH D O 1 +HETATM 61245 O O A HOH HJ 41 . ? 27.420 -65.973 -15.787 0.40 68.98 ? 581 HOH D O 1 +HETATM 61246 O O B HOH HJ 41 . ? 27.239 -66.043 -15.827 0.60 69.31 ? 581 HOH D O 1 +HETATM 61247 O O . HOH HJ 41 . ? 39.319 -77.106 -20.693 1.00 72.52 ? 582 HOH D O 1 +HETATM 61248 O O . HOH HJ 41 . ? -6.653 -80.427 -16.770 1.00 66.49 ? 583 HOH D O 1 +HETATM 61249 O O . HOH HJ 41 . ? 2.183 -41.995 -49.394 1.00 65.43 ? 584 HOH D O 1 +HETATM 61250 O O . HOH HJ 41 . ? -18.774 -52.355 -55.884 1.00 78.63 ? 585 HOH D O 1 +HETATM 61251 O O . HOH HJ 41 . ? 2.196 -60.224 -66.751 1.00 55.85 ? 586 HOH D O 1 +HETATM 61252 O O . HOH HJ 41 . ? -6.301 -45.465 -57.239 1.00 52.93 ? 587 HOH D O 1 +HETATM 61253 O O . HOH HJ 41 . ? -6.252 -57.650 -52.701 1.00 49.88 ? 588 HOH D O 1 +HETATM 61254 O O A HOH HJ 41 . ? 17.269 -32.705 -72.481 0.40 46.40 ? 589 HOH D O 1 +HETATM 61255 O O B HOH HJ 41 . ? 17.462 -32.613 -72.348 0.60 46.23 ? 589 HOH D O 1 +HETATM 61256 O O . HOH HJ 41 . ? 29.217 -12.917 -55.770 1.00 75.19 ? 590 HOH D O 1 +HETATM 61257 O O A HOH HJ 41 . ? 16.080 -32.681 -46.467 0.40 46.44 ? 591 HOH D O 1 +HETATM 61258 O O B HOH HJ 41 . ? 15.995 -32.695 -46.466 0.60 46.54 ? 591 HOH D O 1 +HETATM 61259 O O . HOH HJ 41 . ? 6.148 -74.161 -23.652 1.00 64.30 ? 592 HOH D O 1 +HETATM 61260 O O . HOH HJ 41 . ? -4.016 -37.875 -49.494 1.00 46.68 ? 593 HOH D O 1 +HETATM 61261 O O . HOH HJ 41 . ? -16.471 -52.977 -46.445 1.00 48.61 ? 594 HOH D O 1 +HETATM 61262 O O . HOH HJ 41 . ? 4.173 -47.917 -51.041 1.00 47.11 ? 595 HOH D O 1 +HETATM 61263 O O . HOH HJ 41 . ? 1.944 -36.674 -67.536 1.00 63.34 ? 596 HOH D O 1 +HETATM 61264 O O A HOH HJ 41 . ? 38.390 -50.357 -14.163 0.40 56.70 ? 597 HOH D O 1 +HETATM 61265 O O B HOH HJ 41 . ? 38.294 -50.455 -14.130 0.60 56.70 ? 597 HOH D O 1 +HETATM 61266 O O . HOH HJ 41 . ? 9.709 -24.537 -49.346 1.00 42.34 ? 598 HOH D O 1 +HETATM 61267 O O . HOH HJ 41 . ? 1.607 -49.871 -66.204 1.00 65.72 ? 599 HOH D O 1 +HETATM 61268 O O . HOH HJ 41 . ? 18.257 -17.903 -54.496 1.00 55.10 ? 600 HOH D O 1 +HETATM 61269 O O A HOH HJ 41 . ? 35.494 -60.517 -11.007 0.40 89.57 ? 601 HOH D O 1 +HETATM 61270 O O B HOH HJ 41 . ? 35.503 -60.250 -11.039 0.60 90.29 ? 601 HOH D O 1 +HETATM 61271 O O A HOH HJ 41 . ? 34.833 -70.485 -13.692 0.40 86.99 ? 602 HOH D O 1 +HETATM 61272 O O B HOH HJ 41 . ? 34.711 -70.444 -13.554 0.60 87.08 ? 602 HOH D O 1 +HETATM 61273 O O A HOH HJ 41 . ? 39.793 -61.558 -22.690 0.40 47.18 ? 603 HOH D O 1 +HETATM 61274 O O B HOH HJ 41 . ? 39.964 -61.626 -22.709 0.60 47.37 ? 603 HOH D O 1 +HETATM 61275 O O . HOH HJ 41 . ? 0.620 -46.943 -58.424 1.00 77.48 ? 604 HOH D O 1 +HETATM 61276 O O . HOH HJ 41 . ? -11.519 -41.152 -51.932 1.00 71.26 ? 605 HOH D O 1 +HETATM 61277 O O A HOH HJ 41 . ? 28.407 -48.066 -10.321 0.40 78.30 ? 606 HOH D O 1 +HETATM 61278 O O B HOH HJ 41 . ? 28.254 -48.182 -10.396 0.60 79.21 ? 606 HOH D O 1 +HETATM 61279 O O A HOH HJ 41 . ? 24.234 -25.548 -72.702 0.40 54.65 ? 607 HOH D O 1 +HETATM 61280 O O B HOH HJ 41 . ? 24.218 -25.654 -72.724 0.60 54.82 ? 607 HOH D O 1 +HETATM 61281 O O . HOH HJ 41 . ? -9.269 -38.259 -53.041 1.00 65.72 ? 608 HOH D O 1 +HETATM 61282 O O A HOH HJ 41 . ? 15.577 -29.458 -47.699 0.40 55.15 ? 609 HOH D O 1 +HETATM 61283 O O B HOH HJ 41 . ? 15.621 -29.532 -47.615 0.60 55.52 ? 609 HOH D O 1 +HETATM 61284 O O . HOH HJ 41 . ? 17.188 -8.461 -55.535 1.00 83.23 ? 610 HOH D O 1 +HETATM 61285 O O . HOH HJ 41 . ? 4.669 -36.345 -67.508 1.00 73.02 ? 611 HOH D O 1 +HETATM 61286 O O . HOH HJ 41 . ? 37.700 -75.276 -22.961 1.00 79.01 ? 612 HOH D O 1 +HETATM 61287 O O . HOH HJ 41 . ? -4.543 -37.419 -52.257 1.00 60.02 ? 613 HOH D O 1 +HETATM 61288 O O A HOH HJ 41 . ? 23.457 -18.621 -58.069 0.40 74.54 ? 614 HOH D O 1 +HETATM 61289 O O B HOH HJ 41 . ? 23.445 -18.786 -57.886 0.60 75.95 ? 614 HOH D O 1 +HETATM 61290 O O . HOH HJ 41 . ? -12.075 -61.766 -63.305 1.00 76.72 ? 615 HOH D O 1 +HETATM 61291 O O . HOH HJ 41 . ? -7.203 -36.942 -53.143 1.00 74.10 ? 616 HOH D O 1 +HETATM 61292 O O . HOH HJ 41 . ? 25.941 -16.107 -50.456 1.00 85.17 ? 617 HOH D O 1 +HETATM 61293 O O . HOH HJ 41 . ? 8.868 -25.154 -51.821 1.00 44.17 ? 618 HOH D O 1 +HETATM 61294 O O A HOH HJ 41 . ? 31.560 -42.095 -15.870 0.40 58.63 ? 619 HOH D O 1 +HETATM 61295 O O B HOH HJ 41 . ? 31.580 -42.123 -15.989 0.60 58.84 ? 619 HOH D O 1 +HETATM 61296 O O . HOH HJ 41 . ? 30.628 -15.379 -56.017 1.00 50.79 ? 620 HOH D O 1 +HETATM 61297 O O . HOH IJ 41 . ? 0.976 -64.803 -66.278 1.00 52.56 ? 201 HOH E O 1 +HETATM 61298 O O . HOH IJ 41 . ? -5.085 -69.877 -69.039 1.00 92.80 ? 202 HOH E O 1 +HETATM 61299 O O . HOH IJ 41 . ? 6.072 -86.538 -31.314 1.00 70.71 ? 203 HOH E O 1 +HETATM 61300 O O . HOH IJ 41 . ? 2.910 -80.213 -29.073 1.00 59.02 ? 204 HOH E O 1 +HETATM 61301 O O . HOH IJ 41 . ? -5.610 -60.758 -59.035 1.00 57.99 ? 205 HOH E O 1 +HETATM 61302 O O . HOH IJ 41 . ? 8.502 -92.266 -38.153 1.00 77.32 ? 206 HOH E O 1 +HETATM 61303 O O . HOH IJ 41 . ? -7.073 -63.086 -68.119 1.00 79.57 ? 207 HOH E O 1 +HETATM 61304 O O . HOH IJ 41 . ? 4.345 -84.884 -33.240 1.00 68.50 ? 208 HOH E O 1 +HETATM 61305 O O . HOH IJ 41 . ? -8.868 -52.044 -78.763 1.00 84.18 ? 209 HOH E O 1 +HETATM 61306 O O . HOH IJ 41 . ? -2.941 -52.207 -76.413 1.00 56.61 ? 210 HOH E O 1 +HETATM 61307 O O . HOH IJ 41 . ? 0.059 -62.333 -66.830 1.00 57.12 ? 211 HOH E O 1 +HETATM 61308 O O . HOH IJ 41 . ? -8.078 -63.487 -65.625 1.00 87.24 ? 212 HOH E O 1 +HETATM 61309 O O . HOH IJ 41 . ? -9.122 -44.817 -57.593 1.00 59.96 ? 213 HOH E O 1 +HETATM 61310 O O . HOH IJ 41 . ? -15.376 -43.096 -49.101 1.00 66.03 ? 214 HOH E O 1 +HETATM 61311 O O . HOH IJ 41 . ? -9.861 -54.408 -68.772 1.00 80.48 ? 215 HOH E O 1 +HETATM 61312 O O . HOH IJ 41 . ? -7.879 -64.487 -71.154 1.00 103.40 ? 216 HOH E O 1 +HETATM 61313 O O . HOH IJ 41 . ? 18.350 -81.388 -36.223 1.00 94.36 ? 217 HOH E O 1 +HETATM 61314 O O . HOH JJ 41 . ? 0.763 -67.047 -72.029 1.00 82.01 ? 201 HOH F O 1 +HETATM 61315 O O . HOH JJ 41 . ? 8.087 -66.770 -66.654 1.00 60.39 ? 202 HOH F O 1 +HETATM 61316 O O . HOH JJ 41 . ? 7.921 -64.267 -73.103 1.00 81.65 ? 203 HOH F O 1 +HETATM 61317 O O . HOH JJ 41 . ? -0.206 -64.977 -73.714 1.00 82.29 ? 204 HOH F O 1 +HETATM 61318 O O . HOH KJ 41 . ? -18.226 -56.536 -39.339 1.00 64.11 ? 201 HOH H O 1 +HETATM 61319 O O . HOH KJ 41 . ? -26.204 -45.240 -43.757 1.00 54.84 ? 202 HOH H O 1 +HETATM 61320 O O . HOH KJ 41 . ? -23.150 -45.384 -43.672 1.00 54.86 ? 203 HOH H O 1 +HETATM 61321 O O . HOH KJ 41 . ? -17.508 -40.463 -45.920 1.00 63.28 ? 204 HOH H O 1 +HETATM 61322 O O . HOH KJ 41 . ? -10.351 -59.241 -0.307 1.00 91.09 ? 205 HOH H O 1 +HETATM 61323 O O . HOH KJ 41 . ? -29.441 -39.020 -42.893 1.00 65.31 ? 206 HOH H O 1 +HETATM 61324 O O . HOH KJ 41 . ? -14.696 -44.645 -45.532 1.00 66.68 ? 207 HOH H O 1 +HETATM 61325 O O . HOH KJ 41 . ? -14.797 -39.172 10.419 1.00 65.55 ? 208 HOH H O 1 +HETATM 61326 O O . HOH KJ 41 . ? -20.579 -59.965 -8.478 1.00 62.71 ? 209 HOH H O 1 +HETATM 61327 O O . HOH KJ 41 . ? -17.708 -42.878 -44.858 1.00 65.53 ? 210 HOH H O 1 +HETATM 61328 O O . HOH KJ 41 . ? -16.773 -31.848 8.400 1.00 68.80 ? 211 HOH H O 1 +HETATM 61329 O O . HOH KJ 41 . ? -21.440 -43.663 -36.842 1.00 54.54 ? 212 HOH H O 1 +HETATM 61330 O O . HOH KJ 41 . ? -20.355 -55.790 -42.386 1.00 58.04 ? 213 HOH H O 1 +HETATM 61331 O O . HOH KJ 41 . ? -21.790 -54.632 -44.395 1.00 57.17 ? 214 HOH H O 1 +HETATM 61332 O O . HOH KJ 41 . ? -23.125 -44.000 -46.165 1.00 78.31 ? 215 HOH H O 1 +HETATM 61333 O O . HOH KJ 41 . ? -12.150 -57.443 3.776 1.00 86.69 ? 216 HOH H O 1 +HETATM 61334 O O . HOH KJ 41 . ? -20.676 -59.954 -1.104 1.00 91.09 ? 217 HOH H O 1 +HETATM 61335 O O . HOH KJ 41 . ? -15.472 -60.817 1.511 1.00 76.70 ? 218 HOH H O 1 +HETATM 61336 O O . HOH KJ 41 . ? -15.667 -31.365 12.461 1.00 79.85 ? 219 HOH H O 1 +HETATM 61337 O O . HOH KJ 41 . ? -18.589 -41.925 -48.655 1.00 90.68 ? 220 HOH H O 1 +HETATM 61338 O O . HOH KJ 41 . ? -28.498 -49.664 -49.294 1.00 84.37 ? 221 HOH H O 1 +HETATM 61339 O O . HOH KJ 41 . ? -23.983 -61.194 -27.697 1.00 97.50 ? 222 HOH H O 1 +HETATM 61340 O O . HOH LJ 41 . ? 56.853 -50.030 -28.025 1.00 53.67 ? 201 HOH I O 1 +HETATM 61341 O O . HOH LJ 41 . ? 59.371 -60.441 -30.619 1.00 70.23 ? 202 HOH I O 1 +HETATM 61342 O O . HOH LJ 41 . ? 64.137 -53.517 -32.846 1.00 87.56 ? 203 HOH I O 1 +HETATM 61343 O O . HOH LJ 41 . ? 56.615 -53.910 -32.940 1.00 71.33 ? 204 HOH I O 1 +HETATM 61344 O O . HOH MJ 41 . ? 12.900 -96.275 -39.971 1.00 100.15 ? 201 HOH J O 1 +HETATM 61345 O O . HOH MJ 41 . ? 9.202 -61.033 -71.208 1.00 58.39 ? 202 HOH J O 1 +HETATM 61346 O O . HOH MJ 41 . ? 16.463 -61.417 -69.883 1.00 64.42 ? 203 HOH J O 1 +HETATM 61347 O O . HOH MJ 41 . ? 22.502 -89.582 -38.450 1.00 81.61 ? 204 HOH J O 1 +HETATM 61348 O O . HOH MJ 41 . ? 24.847 -88.291 -39.911 1.00 76.47 ? 205 HOH J O 1 +HETATM 61349 O O . HOH MJ 41 . ? 26.931 -91.294 -40.506 1.00 107.34 ? 206 HOH J O 1 +HETATM 61350 O O . HOH NJ 41 . ? 27.175 -73.895 -74.903 1.00 74.02 ? 201 HOH K O 1 +HETATM 61351 O O . HOH NJ 41 . ? 32.480 -73.722 -78.883 1.00 79.67 ? 202 HOH K O 1 +HETATM 61352 O O . HOH NJ 41 . ? 35.963 -82.109 -37.356 1.00 61.60 ? 203 HOH K O 1 +HETATM 61353 O O . HOH NJ 41 . ? 35.893 -68.387 -81.856 1.00 68.76 ? 204 HOH K O 1 +HETATM 61354 O O . HOH NJ 41 . ? 25.444 -71.984 -73.483 1.00 89.36 ? 205 HOH K O 1 +HETATM 61355 O O . HOH OJ 41 . ? 18.998 -27.499 -34.926 1.00 47.09 ? 201 HOH L O 1 +HETATM 61356 O O . HOH OJ 41 . ? -4.053 -34.583 9.536 1.00 78.02 ? 202 HOH L O 1 +HETATM 61357 O O A HOH OJ 41 . ? 29.100 -43.603 -12.651 0.40 63.42 ? 203 HOH L O 1 +HETATM 61358 O O B HOH OJ 41 . ? 29.034 -43.588 -12.468 0.60 64.22 ? 203 HOH L O 1 +HETATM 61359 O O . HOH OJ 41 . ? 16.525 -21.672 -38.511 1.00 45.16 ? 204 HOH L O 1 +HETATM 61360 O O . HOH OJ 41 . ? 9.142 -22.233 -35.253 1.00 68.68 ? 205 HOH L O 1 +HETATM 61361 O O . HOH OJ 41 . ? 30.262 -39.479 -13.237 1.00 51.27 ? 206 HOH L O 1 +HETATM 61362 O O . HOH OJ 41 . ? 10.930 -17.360 -39.484 1.00 55.02 ? 207 HOH L O 1 +HETATM 61363 O O . HOH OJ 41 . ? 19.858 -45.752 -2.711 1.00 102.31 ? 208 HOH L O 1 +HETATM 61364 O O . HOH OJ 41 . ? 8.529 -17.419 -38.541 1.00 70.54 ? 209 HOH L O 1 +HETATM 61365 O O . HOH PJ 41 . ? 9.808 -12.808 -34.783 1.00 92.17 ? 201 HOH M O 1 +HETATM 61366 O O . HOH PJ 41 . ? 29.970 -26.057 -0.991 1.00 78.33 ? 202 HOH M O 1 +HETATM 61367 O O . HOH PJ 41 . ? 20.033 -28.051 -4.259 1.00 67.55 ? 203 HOH M O 1 +HETATM 61368 O O . HOH PJ 41 . ? 13.071 -13.798 -27.498 1.00 54.59 ? 204 HOH M O 1 +HETATM 61369 O O . HOH PJ 41 . ? 16.657 -12.039 -45.427 1.00 63.03 ? 205 HOH M O 1 +HETATM 61370 O O . HOH PJ 41 . ? 30.710 -31.961 -4.624 1.00 109.86 ? 206 HOH M O 1 +HETATM 61371 O O . HOH QJ 41 . ? 6.974 -23.993 -64.802 1.00 74.62 ? 401 HOH O O 1 +HETATM 61372 O O . HOH QJ 41 . ? 8.246 -21.430 -65.455 1.00 59.40 ? 402 HOH O O 1 +HETATM 61373 O O . HOH QJ 41 . ? 22.857 -11.689 -57.015 1.00 70.91 ? 403 HOH O O 1 +HETATM 61374 O O . HOH QJ 41 . ? 53.846 -34.330 -74.351 1.00 88.35 ? 404 HOH O O 1 +HETATM 61375 O O . HOH QJ 41 . ? 54.973 -19.664 -74.150 1.00 77.10 ? 405 HOH O O 1 +HETATM 61376 O O . HOH QJ 41 . ? 2.420 -14.932 -54.887 1.00 75.84 ? 406 HOH O O 1 +HETATM 61377 O O . HOH QJ 41 . ? 38.154 -21.514 -68.184 1.00 50.37 ? 407 HOH O O 1 +HETATM 61378 O O . HOH QJ 41 . ? 34.920 -8.677 -84.231 1.00 73.90 ? 408 HOH O O 1 +HETATM 61379 O O . HOH QJ 41 . ? 34.127 -6.314 -49.223 1.00 65.85 ? 409 HOH O O 1 +HETATM 61380 O O . HOH QJ 41 . ? 15.707 -8.323 -63.123 1.00 55.02 ? 410 HOH O O 1 +HETATM 61381 O O . HOH QJ 41 . ? 6.063 -17.305 -67.398 1.00 66.47 ? 411 HOH O O 1 +HETATM 61382 O O . HOH QJ 41 . ? 53.598 -13.496 -70.178 1.00 80.64 ? 412 HOH O O 1 +HETATM 61383 O O . HOH QJ 41 . ? 29.399 -8.201 -59.881 1.00 62.72 ? 413 HOH O O 1 +HETATM 61384 O O . HOH QJ 41 . ? 37.977 1.053 -84.544 1.00 91.67 ? 414 HOH O O 1 +HETATM 61385 O O . HOH QJ 41 . ? 52.333 -35.687 -67.604 1.00 96.96 ? 415 HOH O O 1 +HETATM 61386 O O . HOH QJ 41 . ? 26.983 -11.415 -59.042 1.00 68.21 ? 416 HOH O O 1 +HETATM 61387 O O . HOH QJ 41 . ? 20.672 -7.666 -66.873 1.00 64.90 ? 417 HOH O O 1 +HETATM 61388 O O . HOH QJ 41 . ? 27.073 -7.177 -66.523 1.00 67.69 ? 418 HOH O O 1 +HETATM 61389 O O . HOH QJ 41 . ? 60.148 -0.003 -82.930 1.00 93.37 ? 419 HOH O O 1 +HETATM 61390 O O . HOH QJ 41 . ? 33.858 -13.853 -48.879 1.00 74.01 ? 420 HOH O O 1 +HETATM 61391 O O . HOH QJ 41 . ? 39.543 1.928 -96.129 1.00 100.25 ? 421 HOH O O 1 +HETATM 61392 O O . HOH QJ 41 . ? 55.279 1.502 -76.258 1.00 80.11 ? 422 HOH O O 1 +HETATM 61393 O O . HOH QJ 41 . ? 46.274 -33.615 -68.774 1.00 61.46 ? 423 HOH O O 1 +HETATM 61394 O O . HOH QJ 41 . ? 22.595 -10.051 -67.136 1.00 56.30 ? 424 HOH O O 1 +HETATM 61395 O O . HOH QJ 41 . ? 38.041 -7.053 -70.829 1.00 54.82 ? 425 HOH O O 1 +HETATM 61396 O O . HOH QJ 41 . ? 51.500 -19.806 -73.876 1.00 75.82 ? 426 HOH O O 1 +HETATM 61397 O O A HOH QJ 41 . ? 20.298 -24.664 -66.326 0.40 57.58 ? 427 HOH O O 1 +HETATM 61398 O O B HOH QJ 41 . ? 20.581 -24.607 -66.352 0.60 56.73 ? 427 HOH O O 1 +HETATM 61399 O O . HOH QJ 41 . ? 25.053 -20.913 -73.394 1.00 47.24 ? 428 HOH O O 1 +HETATM 61400 O O . HOH QJ 41 . ? 31.208 -9.384 -66.783 1.00 47.87 ? 429 HOH O O 1 +HETATM 61401 O O . HOH QJ 41 . ? 32.223 0.154 -59.628 1.00 71.76 ? 430 HOH O O 1 +HETATM 61402 O O . HOH QJ 41 . ? 2.526 -22.348 -59.208 1.00 73.37 ? 431 HOH O O 1 +HETATM 61403 O O . HOH QJ 41 . ? 33.141 -4.412 -50.494 1.00 87.96 ? 432 HOH O O 1 +HETATM 61404 O O . HOH QJ 41 . ? 3.946 -22.994 -54.374 1.00 57.52 ? 433 HOH O O 1 +HETATM 61405 O O . HOH QJ 41 . ? 19.388 -13.679 -60.946 1.00 59.17 ? 434 HOH O O 1 +HETATM 61406 O O . HOH QJ 41 . ? 44.261 3.319 -65.626 1.00 99.02 ? 435 HOH O O 1 +HETATM 61407 O O . HOH QJ 41 . ? 18.622 -17.639 -66.954 1.00 57.42 ? 436 HOH O O 1 +HETATM 61408 O O . HOH QJ 41 . ? 10.984 -24.195 -53.327 1.00 42.09 ? 437 HOH O O 1 +HETATM 61409 O O . HOH QJ 41 . ? 48.938 -0.343 -71.210 1.00 87.40 ? 438 HOH O O 1 +HETATM 61410 O O . HOH QJ 41 . ? 39.218 -17.056 -63.642 1.00 47.57 ? 439 HOH O O 1 +HETATM 61411 O O . HOH QJ 41 . ? 21.827 -20.905 -72.166 1.00 46.69 ? 440 HOH O O 1 +HETATM 61412 O O . HOH QJ 41 . ? 45.990 -13.956 -64.027 1.00 67.77 ? 441 HOH O O 1 +HETATM 61413 O O . HOH QJ 41 . ? 27.005 -7.033 -69.615 1.00 59.97 ? 442 HOH O O 1 +HETATM 61414 O O . HOH QJ 41 . ? 32.039 -16.610 -58.140 1.00 44.93 ? 443 HOH O O 1 +HETATM 61415 O O . HOH QJ 41 . ? 21.847 -4.551 -64.925 1.00 90.71 ? 444 HOH O O 1 +HETATM 61416 O O . HOH QJ 41 . ? 16.997 -23.347 -73.882 1.00 48.09 ? 445 HOH O O 1 +HETATM 61417 O O . HOH QJ 41 . ? 44.190 -8.438 -59.155 1.00 74.00 ? 446 HOH O O 1 +HETATM 61418 O O . HOH QJ 41 . ? 7.756 -23.012 -48.453 1.00 45.55 ? 447 HOH O O 1 +HETATM 61419 O O . HOH QJ 41 . ? 47.236 -19.381 -73.068 1.00 70.02 ? 448 HOH O O 1 +HETATM 61420 O O . HOH QJ 41 . ? 34.278 -16.874 -62.048 1.00 46.59 ? 449 HOH O O 1 +HETATM 61421 O O . HOH QJ 41 . ? 49.448 -13.043 -64.820 1.00 82.14 ? 450 HOH O O 1 +HETATM 61422 O O . HOH QJ 41 . ? 38.034 -19.199 -65.881 1.00 48.37 ? 451 HOH O O 1 +HETATM 61423 O O . HOH QJ 41 . ? 6.290 -13.798 -60.868 1.00 77.35 ? 452 HOH O O 1 +HETATM 61424 O O . HOH QJ 41 . ? 22.924 -3.731 -56.517 1.00 79.94 ? 453 HOH O O 1 +HETATM 61425 O O . HOH QJ 41 . ? 14.528 -23.361 -73.096 1.00 49.28 ? 454 HOH O O 1 +HETATM 61426 O O . HOH QJ 41 . ? 25.523 -14.824 -61.410 1.00 66.06 ? 455 HOH O O 1 +HETATM 61427 O O . HOH QJ 41 . ? 43.707 -17.711 -57.409 1.00 47.77 ? 456 HOH O O 1 +HETATM 61428 O O . HOH QJ 41 . ? 45.356 -11.968 -56.956 1.00 74.40 ? 457 HOH O O 1 +HETATM 61429 O O . HOH QJ 41 . ? 0.694 -11.028 -56.333 1.00 89.87 ? 458 HOH O O 1 +HETATM 61430 O O . HOH QJ 41 . ? 6.306 -24.413 -52.101 1.00 45.54 ? 459 HOH O O 1 +HETATM 61431 O O . HOH QJ 41 . ? 24.478 -12.837 -65.399 1.00 53.94 ? 460 HOH O O 1 +HETATM 61432 O O . HOH QJ 41 . ? 19.013 -17.301 -63.426 1.00 70.63 ? 461 HOH O O 1 +HETATM 61433 O O . HOH QJ 41 . ? 52.986 -31.329 -76.877 1.00 87.28 ? 462 HOH O O 1 +HETATM 61434 O O . HOH QJ 41 . ? 17.271 -11.302 -61.403 1.00 58.54 ? 463 HOH O O 1 +HETATM 61435 O O A HOH QJ 41 . ? 44.177 -28.352 -58.075 0.40 61.64 ? 464 HOH O O 1 +HETATM 61436 O O B HOH QJ 41 . ? 43.796 -28.403 -58.091 0.60 62.35 ? 464 HOH O O 1 +HETATM 61437 O O . HOH QJ 41 . ? 5.769 -25.826 -60.736 1.00 96.70 ? 465 HOH O O 1 +HETATM 61438 O O . HOH QJ 41 . ? 30.878 -3.801 -70.006 1.00 54.84 ? 466 HOH O O 1 +HETATM 61439 O O . HOH QJ 41 . ? 39.455 -4.137 -52.166 1.00 77.35 ? 467 HOH O O 1 +HETATM 61440 O O . HOH QJ 41 . ? 30.442 -11.850 -52.052 1.00 67.46 ? 468 HOH O O 1 +HETATM 61441 O O . HOH QJ 41 . ? 37.007 -20.004 -72.032 1.00 53.72 ? 469 HOH O O 1 +HETATM 61442 O O . HOH QJ 41 . ? 11.211 -20.235 -56.950 1.00 44.33 ? 470 HOH O O 1 +HETATM 61443 O O . HOH QJ 41 . ? 25.986 -10.019 -66.341 1.00 55.34 ? 471 HOH O O 1 +HETATM 61444 O O . HOH QJ 41 . ? 55.252 -30.704 -66.053 1.00 81.33 ? 472 HOH O O 1 +HETATM 61445 O O . HOH QJ 41 . ? 30.287 -16.098 -53.101 1.00 50.48 ? 473 HOH O O 1 +HETATM 61446 O O . HOH QJ 41 . ? 39.114 -10.593 -48.346 1.00 69.15 ? 474 HOH O O 1 +HETATM 61447 O O . HOH QJ 41 . ? 30.550 -15.108 -79.005 1.00 68.90 ? 475 HOH O O 1 +HETATM 61448 O O . HOH QJ 41 . ? 12.354 -15.007 -65.420 1.00 48.96 ? 476 HOH O O 1 +HETATM 61449 O O . HOH QJ 41 . ? 10.749 -19.517 -53.843 1.00 44.06 ? 477 HOH O O 1 +HETATM 61450 O O . HOH QJ 41 . ? 16.476 -9.732 -71.050 1.00 61.09 ? 478 HOH O O 1 +HETATM 61451 O O . HOH QJ 41 . ? 4.923 -16.316 -55.139 1.00 62.67 ? 479 HOH O O 1 +HETATM 61452 O O A HOH QJ 41 . ? 39.810 -22.660 -60.758 0.40 52.60 ? 480 HOH O O 1 +HETATM 61453 O O B HOH QJ 41 . ? 39.768 -22.702 -60.766 0.60 52.70 ? 480 HOH O O 1 +HETATM 61454 O O . HOH QJ 41 . ? 6.590 -14.855 -56.588 1.00 51.34 ? 481 HOH O O 1 +HETATM 61455 O O . HOH QJ 41 . ? 33.119 -14.435 -80.583 1.00 66.03 ? 482 HOH O O 1 +HETATM 61456 O O . HOH QJ 41 . ? 28.584 -9.590 -67.881 1.00 55.71 ? 483 HOH O O 1 +HETATM 61457 O O . HOH QJ 41 . ? 11.040 -6.034 -57.271 1.00 80.18 ? 484 HOH O O 1 +HETATM 61458 O O . HOH QJ 41 . ? 24.766 -16.845 -59.713 1.00 75.56 ? 485 HOH O O 1 +HETATM 61459 O O . HOH QJ 41 . ? 29.481 -8.964 -57.294 1.00 92.82 ? 486 HOH O O 1 +HETATM 61460 O O . HOH QJ 41 . ? 55.289 -7.738 -94.221 1.00 100.58 ? 487 HOH O O 1 +HETATM 61461 O O . HOH QJ 41 . ? 24.937 -5.172 -66.433 1.00 73.72 ? 488 HOH O O 1 +HETATM 61462 O O . HOH QJ 41 . ? 48.398 -24.622 -57.982 1.00 84.07 ? 489 HOH O O 1 +HETATM 61463 O O . HOH QJ 41 . ? 7.237 -11.237 -59.691 1.00 81.51 ? 490 HOH O O 1 +HETATM 61464 O O . HOH QJ 41 . ? 26.967 3.622 -45.168 1.00 87.91 ? 491 HOH O O 1 +HETATM 61465 O O . HOH QJ 41 . ? 21.481 -4.838 -71.702 1.00 80.01 ? 492 HOH O O 1 +HETATM 61466 O O . HOH QJ 41 . ? -6.017 -16.104 -53.529 1.00 53.48 ? 493 HOH O O 1 +HETATM 61467 O O . HOH QJ 41 . ? 4.337 -18.634 -56.495 1.00 79.72 ? 494 HOH O O 1 +HETATM 61468 O O . HOH QJ 41 . ? 20.252 -15.835 -61.497 1.00 70.71 ? 495 HOH O O 1 +HETATM 61469 O O . HOH QJ 41 . ? 27.451 -0.387 -72.251 1.00 78.27 ? 496 HOH O O 1 +HETATM 61470 O O . HOH QJ 41 . ? 26.115 -17.883 -57.805 1.00 62.85 ? 497 HOH O O 1 +HETATM 61471 O O A HOH QJ 41 . ? 18.676 -25.354 -68.227 0.40 59.82 ? 498 HOH O O 1 +HETATM 61472 O O B HOH QJ 41 . ? 18.377 -25.188 -67.846 0.60 64.50 ? 498 HOH O O 1 +HETATM 61473 O O . HOH QJ 41 . ? 27.857 -15.170 -59.702 1.00 73.69 ? 499 HOH O O 1 +HETATM 61474 O O . HOH QJ 41 . ? 50.870 -4.244 -67.297 1.00 88.95 ? 500 HOH O O 1 +HETATM 61475 O O . HOH QJ 41 . ? 40.854 1.834 -72.057 1.00 91.85 ? 501 HOH O O 1 +HETATM 61476 O O . HOH QJ 41 . ? 39.695 4.830 -88.908 1.00 123.01 ? 502 HOH O O 1 +HETATM 61477 O O . HOH QJ 41 . ? 56.084 -13.388 -91.345 1.00 98.84 ? 503 HOH O O 1 +HETATM 61478 O O . HOH QJ 41 . ? 31.184 -14.095 -49.750 1.00 70.12 ? 504 HOH O O 1 +HETATM 61479 O O . HOH RJ 41 . ? 23.795 -15.020 -37.266 1.00 74.53 ? 201 HOH T O 1 +HETATM 61480 O O . HOH RJ 41 . ? 31.217 -39.228 -16.160 1.00 48.92 ? 202 HOH T O 1 +HETATM 61481 O O . HOH RJ 41 . ? 23.300 -18.883 -37.786 1.00 54.26 ? 203 HOH T O 1 +HETATM 61482 O O . HOH RJ 41 . ? 26.936 -38.838 -7.166 1.00 67.31 ? 204 HOH T O 1 +HETATM 61483 O O . HOH RJ 41 . ? 37.084 -38.484 -11.362 1.00 65.83 ? 205 HOH T O 1 +HETATM 61484 O O . HOH RJ 41 . ? 21.119 -13.351 -39.182 1.00 75.84 ? 206 HOH T O 1 +HETATM 61485 O O A HOH RJ 41 . ? 31.900 -47.784 -8.631 0.40 86.30 ? 207 HOH T O 1 +HETATM 61486 O O B HOH RJ 41 . ? 31.780 -47.765 -8.654 0.60 86.66 ? 207 HOH T O 1 +HETATM 61487 O O A HOH RJ 41 . ? 33.355 -43.558 -16.849 0.40 46.69 ? 208 HOH T O 1 +HETATM 61488 O O B HOH RJ 41 . ? 33.458 -43.393 -16.839 0.60 46.52 ? 208 HOH T O 1 +HETATM 61489 O O A HOH RJ 41 . ? 31.527 -43.359 -13.592 0.40 61.62 ? 209 HOH T O 1 +HETATM 61490 O O B HOH RJ 41 . ? 31.598 -43.496 -13.545 0.60 61.56 ? 209 HOH T O 1 +HETATM 61491 O O . HOH RJ 41 . ? 26.022 -43.083 -7.101 1.00 87.72 ? 210 HOH T O 1 +HETATM 61492 O O . HOH RJ 41 . ? 41.434 -37.146 -13.502 1.00 84.71 ? 211 HOH T O 1 +HETATM 61493 O O . HOH SJ 41 . ? 23.008 -11.469 -92.227 1.00 94.70 ? 201 HOH U O 1 +HETATM 61494 O O . HOH SJ 41 . ? 22.526 -18.096 -103.726 1.00 106.26 ? 202 HOH U O 1 +HETATM 61495 O O . HOH SJ 41 . ? 23.534 -33.314 -86.667 1.00 58.09 ? 203 HOH U O 1 +HETATM 61496 O O . HOH SJ 41 . ? 12.161 -34.524 -75.324 1.00 99.52 ? 204 HOH U O 1 +HETATM 61497 O O A HOH SJ 41 . ? 17.793 -36.852 -72.795 0.40 72.33 ? 205 HOH U O 1 +HETATM 61498 O O B HOH SJ 41 . ? 17.662 -37.017 -72.737 0.60 72.71 ? 205 HOH U O 1 +HETATM 61499 O O . HOH SJ 41 . ? 15.459 -31.423 -92.647 1.00 56.26 ? 206 HOH U O 1 +HETATM 61500 O O . HOH SJ 41 . ? 10.752 -20.629 -83.478 1.00 62.84 ? 207 HOH U O 1 +HETATM 61501 O O . HOH SJ 41 . ? 22.120 -29.017 -81.969 1.00 60.50 ? 208 HOH U O 1 +HETATM 61502 O O . HOH SJ 41 . ? 18.785 -9.927 -95.328 1.00 77.81 ? 209 HOH U O 1 +HETATM 61503 O O . HOH SJ 41 . ? 21.249 -29.142 -77.755 1.00 67.63 ? 210 HOH U O 1 +HETATM 61504 O O . HOH SJ 41 . ? 7.687 -11.334 -68.135 1.00 80.60 ? 211 HOH U O 1 +HETATM 61505 O O . HOH SJ 41 . ? 21.124 -30.754 -83.839 1.00 51.77 ? 212 HOH U O 1 +HETATM 61506 O O . HOH SJ 41 . ? 28.254 -15.352 -75.448 1.00 54.52 ? 213 HOH U O 1 +HETATM 61507 O O . HOH SJ 41 . ? 16.290 -23.484 -108.331 1.00 94.77 ? 214 HOH U O 1 +HETATM 61508 O O . HOH SJ 41 . ? 17.602 -9.427 -73.808 1.00 74.46 ? 215 HOH U O 1 +HETATM 61509 O O . HOH SJ 41 . ? 5.671 -14.813 -90.174 1.00 89.50 ? 216 HOH U O 1 +HETATM 61510 O O . HOH SJ 41 . ? 28.519 -11.152 -78.161 1.00 92.10 ? 217 HOH U O 1 +HETATM 61511 O O . HOH SJ 41 . ? 19.187 -19.487 -75.245 1.00 58.44 ? 218 HOH U O 1 +HETATM 61512 O O . HOH SJ 41 . ? 12.193 -20.345 -76.810 1.00 68.82 ? 219 HOH U O 1 +HETATM 61513 O O . HOH SJ 41 . ? 14.156 -10.711 -69.787 1.00 51.27 ? 220 HOH U O 1 +HETATM 61514 O O . HOH SJ 41 . ? 21.941 -17.570 -73.985 1.00 51.86 ? 221 HOH U O 1 +HETATM 61515 O O . HOH SJ 41 . ? 24.034 -18.918 -81.445 1.00 48.31 ? 222 HOH U O 1 +HETATM 61516 O O . HOH SJ 41 . ? 18.147 -32.430 -99.722 1.00 75.64 ? 223 HOH U O 1 +HETATM 61517 O O . HOH SJ 41 . ? 12.809 -37.492 -72.842 1.00 50.34 ? 224 HOH U O 1 +HETATM 61518 O O . HOH SJ 41 . ? 17.422 -7.615 -85.273 1.00 83.80 ? 225 HOH U O 1 +HETATM 61519 O O . HOH SJ 41 . ? 6.910 -21.538 -99.570 1.00 89.01 ? 226 HOH U O 1 +HETATM 61520 O O . HOH SJ 41 . ? 14.968 -21.899 -80.334 1.00 54.18 ? 227 HOH U O 1 +HETATM 61521 O O . HOH SJ 41 . ? 9.869 -11.634 -94.148 1.00 77.34 ? 228 HOH U O 1 +HETATM 61522 O O . HOH SJ 41 . ? 15.640 -27.035 -79.231 1.00 76.90 ? 229 HOH U O 1 +HETATM 61523 O O . HOH SJ 41 . ? 26.910 -16.776 -79.778 1.00 66.27 ? 230 HOH U O 1 +HETATM 61524 O O . HOH SJ 41 . ? 18.261 -20.312 -80.053 1.00 54.18 ? 231 HOH U O 1 +HETATM 61525 O O . HOH SJ 41 . ? 24.853 -15.862 -87.517 1.00 95.56 ? 232 HOH U O 1 +HETATM 61526 O O . HOH SJ 41 . ? 22.548 -16.629 -86.135 1.00 68.30 ? 233 HOH U O 1 +HETATM 61527 O O . HOH SJ 41 . ? 21.138 -12.997 -97.419 1.00 96.87 ? 234 HOH U O 1 +HETATM 61528 O O . HOH SJ 41 . ? 8.504 -31.328 -95.199 1.00 71.42 ? 235 HOH U O 1 +HETATM 61529 O O . HOH SJ 41 . ? 21.109 -14.489 -85.794 1.00 66.22 ? 236 HOH U O 1 +HETATM 61530 O O . HOH SJ 41 . ? 19.957 -27.909 -79.698 1.00 65.21 ? 237 HOH U O 1 +HETATM 61531 O O . HOH SJ 41 . ? 11.517 -10.387 -76.983 1.00 70.96 ? 238 HOH U O 1 +HETATM 61532 O O . HOH SJ 41 . ? 5.739 -11.462 -85.108 1.00 67.20 ? 239 HOH U O 1 +HETATM 61533 O O . HOH SJ 41 . ? 16.853 -21.884 -78.374 1.00 50.52 ? 240 HOH U O 1 +HETATM 61534 O O . HOH SJ 41 . ? 18.006 -8.403 -77.673 1.00 82.63 ? 241 HOH U O 1 +HETATM 61535 O O . HOH SJ 41 . ? 22.648 -23.664 -73.652 1.00 53.27 ? 242 HOH U O 1 +HETATM 61536 O O . HOH SJ 41 . ? 17.511 -28.944 -79.228 1.00 65.08 ? 243 HOH U O 1 +HETATM 61537 O O . HOH SJ 41 . ? 23.665 -10.447 -79.691 1.00 96.53 ? 244 HOH U O 1 +HETATM 61538 O O A HOH SJ 41 . ? 19.001 -37.431 -74.783 0.40 76.08 ? 245 HOH U O 1 +HETATM 61539 O O B HOH SJ 41 . ? 19.154 -37.845 -74.593 0.60 80.29 ? 245 HOH U O 1 +HETATM 61540 O O . HOH SJ 41 . ? 24.689 -17.767 -83.843 1.00 69.85 ? 246 HOH U O 1 +HETATM 61541 O O . HOH SJ 41 . ? 17.012 -21.235 -75.744 1.00 53.09 ? 247 HOH U O 1 +HETATM 61542 O O . HOH TJ 41 . ? 23.084 -57.588 -98.616 1.00 80.07 ? 301 HOH V O 1 +HETATM 61543 O O . HOH TJ 41 . ? 9.598 -52.538 -103.711 1.00 78.78 ? 302 HOH V O 1 +HETATM 61544 O O . HOH TJ 41 . ? 6.131 -43.285 -68.032 1.00 80.13 ? 303 HOH V O 1 +HETATM 61545 O O . HOH TJ 41 . ? 14.921 -34.751 -95.174 1.00 57.95 ? 304 HOH V O 1 +HETATM 61546 O O . HOH TJ 41 . ? 20.148 -29.625 -96.379 1.00 53.35 ? 305 HOH V O 1 +HETATM 61547 O O . HOH TJ 41 . ? 14.433 -36.501 -84.558 1.00 75.45 ? 306 HOH V O 1 +HETATM 61548 O O . HOH TJ 41 . ? 21.300 -44.219 -98.727 1.00 56.80 ? 307 HOH V O 1 +HETATM 61549 O O . HOH TJ 41 . ? 2.304 -62.093 -88.889 1.00 82.85 ? 308 HOH V O 1 +HETATM 61550 O O . HOH TJ 41 . ? 22.970 -62.463 -80.723 1.00 91.13 ? 309 HOH V O 1 +HETATM 61551 O O . HOH TJ 41 . ? 11.337 -34.893 -88.882 1.00 75.22 ? 310 HOH V O 1 +HETATM 61552 O O . HOH TJ 41 . ? 13.518 -61.300 -92.116 1.00 66.04 ? 311 HOH V O 1 +HETATM 61553 O O . HOH TJ 41 . ? 16.577 -50.962 -100.477 1.00 64.74 ? 312 HOH V O 1 +HETATM 61554 O O . HOH TJ 41 . ? 24.260 -41.844 -101.848 1.00 84.50 ? 313 HOH V O 1 +HETATM 61555 O O . HOH TJ 41 . ? 10.424 -36.899 -82.911 1.00 67.34 ? 314 HOH V O 1 +HETATM 61556 O O . HOH TJ 41 . ? 26.712 -51.338 -81.173 1.00 56.57 ? 315 HOH V O 1 +HETATM 61557 O O . HOH TJ 41 . ? 38.031 -43.889 -91.546 1.00 73.62 ? 316 HOH V O 1 +HETATM 61558 O O . HOH TJ 41 . ? 22.482 -46.358 -101.605 1.00 72.19 ? 317 HOH V O 1 +HETATM 61559 O O . HOH TJ 41 . ? 21.041 -39.987 -90.899 1.00 47.80 ? 318 HOH V O 1 +HETATM 61560 O O . HOH TJ 41 . ? 10.626 -43.519 -73.784 1.00 50.96 ? 319 HOH V O 1 +HETATM 61561 O O . HOH TJ 41 . ? 23.887 -62.689 -83.168 1.00 92.62 ? 320 HOH V O 1 +HETATM 61562 O O . HOH TJ 41 . ? 6.744 -43.227 -84.350 1.00 55.20 ? 321 HOH V O 1 +HETATM 61563 O O . HOH TJ 41 . ? 21.881 -35.664 -90.626 1.00 50.10 ? 322 HOH V O 1 +HETATM 61564 O O . HOH TJ 41 . ? 30.297 -43.458 -84.626 1.00 58.49 ? 323 HOH V O 1 +HETATM 61565 O O . HOH TJ 41 . ? 27.089 -37.329 -83.397 1.00 68.31 ? 324 HOH V O 1 +HETATM 61566 O O . HOH TJ 41 . ? 19.052 -52.079 -100.364 1.00 61.17 ? 325 HOH V O 1 +HETATM 61567 O O . HOH TJ 41 . ? 27.005 -37.919 -88.872 1.00 68.76 ? 326 HOH V O 1 +HETATM 61568 O O . HOH TJ 41 . ? 27.390 -44.124 -96.413 1.00 60.26 ? 327 HOH V O 1 +HETATM 61569 O O . HOH TJ 41 . ? 9.885 -46.360 -86.720 1.00 53.25 ? 328 HOH V O 1 +HETATM 61570 O O . HOH TJ 41 . ? 8.782 -56.301 -77.775 1.00 61.94 ? 329 HOH V O 1 +HETATM 61571 O O . HOH TJ 41 . ? 5.581 -47.444 -87.950 1.00 62.40 ? 330 HOH V O 1 +HETATM 61572 O O . HOH TJ 41 . ? 28.343 -48.218 -79.661 1.00 53.55 ? 331 HOH V O 1 +HETATM 61573 O O . HOH TJ 41 . ? 6.640 -43.281 -81.606 1.00 79.56 ? 332 HOH V O 1 +HETATM 61574 O O . HOH TJ 41 . ? 13.933 -52.366 -79.017 1.00 59.68 ? 333 HOH V O 1 +HETATM 61575 O O . HOH TJ 41 . ? 10.916 -46.855 -75.705 1.00 77.14 ? 334 HOH V O 1 +HETATM 61576 O O . HOH TJ 41 . ? 27.275 -42.036 -86.437 1.00 72.92 ? 335 HOH V O 1 +HETATM 61577 O O . HOH TJ 41 . ? 12.990 -43.596 -75.712 1.00 47.88 ? 336 HOH V O 1 +HETATM 61578 O O A HOH TJ 41 . ? 22.579 -47.696 -74.667 0.40 69.47 ? 337 HOH V O 1 +HETATM 61579 O O B HOH TJ 41 . ? 22.692 -48.041 -74.609 0.60 71.73 ? 337 HOH V O 1 +HETATM 61580 O O . HOH TJ 41 . ? 25.438 -37.129 -86.068 1.00 60.25 ? 338 HOH V O 1 +HETATM 61581 O O . HOH TJ 41 . ? 15.340 -33.454 -99.713 1.00 70.71 ? 339 HOH V O 1 +HETATM 61582 O O . HOH TJ 41 . ? 17.269 -39.086 -80.312 1.00 54.11 ? 340 HOH V O 1 +HETATM 61583 O O . HOH TJ 41 . ? 18.734 -40.012 -92.201 1.00 54.55 ? 341 HOH V O 1 +HETATM 61584 O O . HOH TJ 41 . ? 24.169 -52.526 -79.337 1.00 56.30 ? 342 HOH V O 1 +HETATM 61585 O O . HOH TJ 41 . ? 12.811 -44.882 -99.726 1.00 70.10 ? 343 HOH V O 1 +HETATM 61586 O O . HOH TJ 41 . ? 31.623 -41.672 -100.233 1.00 108.72 ? 344 HOH V O 1 +HETATM 61587 O O . HOH TJ 41 . ? 15.464 -44.476 -74.911 1.00 55.72 ? 345 HOH V O 1 +HETATM 61588 O O . HOH TJ 41 . ? 11.676 -52.024 -77.550 1.00 70.20 ? 346 HOH V O 1 +HETATM 61589 O O . HOH TJ 41 . ? 15.349 -50.568 -77.382 1.00 50.88 ? 347 HOH V O 1 +HETATM 61590 O O . HOH TJ 41 . ? 18.456 -40.535 -95.048 1.00 53.99 ? 348 HOH V O 1 +HETATM 61591 O O . HOH TJ 41 . ? 27.981 -41.682 -83.355 1.00 54.76 ? 349 HOH V O 1 +HETATM 61592 O O . HOH TJ 41 . ? 24.105 -34.695 -89.109 1.00 52.43 ? 350 HOH V O 1 +HETATM 61593 O O . HOH TJ 41 . ? 20.903 -50.212 -101.511 1.00 68.10 ? 351 HOH V O 1 +HETATM 61594 O O . HOH TJ 41 . ? 8.136 -54.102 -76.423 1.00 66.05 ? 352 HOH V O 1 +HETATM 61595 O O . HOH TJ 41 . ? 31.537 -41.781 -95.091 1.00 91.55 ? 353 HOH V O 1 +HETATM 61596 O O . HOH TJ 41 . ? 1.026 -57.420 -96.350 1.00 82.68 ? 354 HOH V O 1 +HETATM 61597 O O . HOH TJ 41 . ? 7.221 -36.866 -77.706 1.00 82.89 ? 355 HOH V O 1 +HETATM 61598 O O . HOH TJ 41 . ? 17.116 -62.957 -89.305 1.00 68.96 ? 356 HOH V O 1 +HETATM 61599 O O . HOH TJ 41 . ? 21.517 -39.616 -101.278 1.00 91.57 ? 357 HOH V O 1 +HETATM 61600 O O . HOH TJ 41 . ? 10.551 -36.657 -76.650 1.00 81.15 ? 358 HOH V O 1 +HETATM 61601 O O . HOH TJ 41 . ? 21.313 -59.550 -78.780 1.00 67.82 ? 359 HOH V O 1 +HETATM 61602 O O . HOH TJ 41 . ? 11.304 -35.283 -85.577 1.00 76.75 ? 360 HOH V O 1 +HETATM 61603 O O . HOH TJ 41 . ? 23.334 -61.526 -97.537 1.00 70.51 ? 361 HOH V O 1 +HETATM 61604 O O . HOH TJ 41 . ? 17.643 -31.485 -80.288 1.00 68.12 ? 362 HOH V O 1 +HETATM 61605 O O . HOH TJ 41 . ? 35.558 -61.031 -89.349 1.00 93.55 ? 363 HOH V O 1 +HETATM 61606 O O . HOH TJ 41 . ? 3.755 -65.141 -87.251 1.00 85.61 ? 364 HOH V O 1 +HETATM 61607 O O . HOH TJ 41 . ? 5.486 -46.184 -92.038 1.00 84.21 ? 365 HOH V O 1 +HETATM 61608 O O . HOH TJ 41 . ? 30.514 -52.731 -85.092 1.00 57.58 ? 366 HOH V O 1 +HETATM 61609 O O . HOH TJ 41 . ? 6.761 -44.756 -97.257 1.00 90.66 ? 367 HOH V O 1 +HETATM 61610 O O . HOH TJ 41 . ? 11.382 -47.197 -101.306 1.00 85.70 ? 368 HOH V O 1 +HETATM 61611 O O . HOH TJ 41 . ? 30.624 -58.662 -94.477 1.00 97.54 ? 369 HOH V O 1 +HETATM 61612 O O . HOH TJ 41 . ? 4.358 -36.842 -78.649 1.00 105.34 ? 370 HOH V O 1 +HETATM 61613 O O . HOH TJ 41 . ? 24.110 -59.286 -97.440 1.00 109.41 ? 371 HOH V O 1 +HETATM 61614 O O . HOH TJ 41 . ? 29.966 -43.504 -103.807 1.00 106.58 ? 372 HOH V O 1 +HETATM 61615 O O . HOH TJ 41 . ? 27.967 -51.877 -84.635 1.00 65.35 ? 373 HOH V O 1 +HETATM 61616 O O . HOH TJ 41 . ? 25.270 -55.942 -77.011 1.00 93.76 ? 374 HOH V O 1 +HETATM 61617 O O . HOH TJ 41 . ? 10.275 -46.101 -72.952 1.00 61.09 ? 375 HOH V O 1 +HETATM 61618 O O . HOH TJ 41 . ? 12.342 -49.763 -76.191 1.00 63.15 ? 376 HOH V O 1 +HETATM 61619 O O . HOH TJ 41 . ? 5.316 -48.034 -90.372 1.00 84.31 ? 377 HOH V O 1 +HETATM 61620 O O . HOH TJ 41 . ? 21.656 -42.311 -101.336 1.00 79.43 ? 378 HOH V O 1 +HETATM 61621 O O . HOH TJ 41 . ? 26.307 -33.376 -89.438 1.00 83.81 ? 379 HOH V O 1 +HETATM 61622 O O . HOH UJ 41 . ? -4.212 -80.437 -20.082 1.00 76.68 ? 201 HOH X O 1 +HETATM 61623 O O . HOH UJ 41 . ? -32.266 -49.563 -43.155 1.00 83.09 ? 202 HOH X O 1 +HETATM 61624 O O . HOH UJ 41 . ? -20.504 -57.737 -39.294 1.00 78.10 ? 203 HOH X O 1 +HETATM 61625 O O . HOH UJ 41 . ? -6.775 -79.861 -19.363 1.00 64.19 ? 204 HOH X O 1 +HETATM 61626 O O . HOH UJ 41 . ? -26.771 -51.498 -48.589 1.00 62.36 ? 205 HOH X O 1 +HETATM 61627 O O . HOH UJ 41 . ? -23.781 -55.472 -49.519 1.00 91.66 ? 206 HOH X O 1 +HETATM 61628 O O . HOH UJ 41 . ? -24.876 -52.424 -50.818 1.00 89.05 ? 207 HOH X O 1 +HETATM 61629 O O . HOH VJ 41 . ? 6.517 -1.978 -21.832 1.00 50.74 ? 501 HOH a O 1 +HETATM 61630 O O . HOH VJ 41 . ? -15.612 -19.588 19.241 1.00 85.45 ? 502 HOH a O 1 +HETATM 61631 O O B HOH VJ 41 . ? -5.024 16.345 -26.031 0.50 55.32 ? 503 HOH a O 1 +HETATM 61632 O O A HOH VJ 41 . ? 24.679 -12.191 23.794 0.40 87.63 ? 504 HOH a O 1 +HETATM 61633 O O B HOH VJ 41 . ? 24.546 -12.089 23.951 0.60 89.27 ? 504 HOH a O 1 +HETATM 61634 O O A HOH VJ 41 . ? -9.560 18.665 -13.387 0.40 48.16 ? 505 HOH a O 1 +HETATM 61635 O O B HOH VJ 41 . ? -9.797 19.007 -13.630 0.60 48.69 ? 505 HOH a O 1 +HETATM 61636 O O . HOH VJ 41 . ? 36.560 -14.203 8.113 1.00 82.77 ? 506 HOH a O 1 +HETATM 61637 O O A HOH VJ 41 . ? 16.171 -3.986 26.085 0.40 68.00 ? 507 HOH a O 1 +HETATM 61638 O O B HOH VJ 41 . ? 16.014 -3.961 26.065 0.60 67.92 ? 507 HOH a O 1 +HETATM 61639 O O A HOH VJ 41 . ? -17.005 16.404 -19.579 0.40 53.12 ? 508 HOH a O 1 +HETATM 61640 O O B HOH VJ 41 . ? -17.194 16.507 -19.489 0.60 53.28 ? 508 HOH a O 1 +HETATM 61641 O O . HOH VJ 41 . ? 33.649 13.871 22.380 1.00 72.86 ? 509 HOH a O 1 +HETATM 61642 O O . HOH VJ 41 . ? -18.990 -13.523 24.025 1.00 85.18 ? 510 HOH a O 1 +HETATM 61643 O O A HOH VJ 41 . ? -6.160 17.480 -19.365 0.40 57.91 ? 511 HOH a O 1 +HETATM 61644 O O B HOH VJ 41 . ? -5.838 17.520 -19.255 0.60 59.63 ? 511 HOH a O 1 +HETATM 61645 O O A HOH VJ 41 . ? 27.326 -12.313 10.804 0.40 93.88 ? 512 HOH a O 1 +HETATM 61646 O O B HOH VJ 41 . ? 27.260 -12.396 10.844 0.60 94.26 ? 512 HOH a O 1 +HETATM 61647 O O . HOH VJ 41 . ? 2.057 3.002 -11.932 1.00 48.08 ? 513 HOH a O 1 +HETATM 61648 O O . HOH VJ 41 . ? -21.653 -1.099 -20.525 1.00 84.79 ? 514 HOH a O 1 +HETATM 61649 O O A HOH VJ 41 . ? 0.478 33.374 -12.707 0.40 58.16 ? 515 HOH a O 1 +HETATM 61650 O O B HOH VJ 41 . ? 0.343 33.240 -12.652 0.60 58.21 ? 515 HOH a O 1 +HETATM 61651 O O A HOH VJ 41 . ? 6.177 30.698 -6.978 0.40 57.63 ? 516 HOH a O 1 +HETATM 61652 O O B HOH VJ 41 . ? 6.197 30.720 -7.092 0.60 57.67 ? 516 HOH a O 1 +HETATM 61653 O O A HOH VJ 41 . ? -2.379 21.244 -7.350 0.40 54.36 ? 517 HOH a O 1 +HETATM 61654 O O B HOH VJ 41 . ? -2.401 21.118 -7.434 0.60 54.47 ? 517 HOH a O 1 +HETATM 61655 O O A HOH VJ 41 . ? -12.251 23.091 -18.807 0.40 54.32 ? 518 HOH a O 1 +HETATM 61656 O O B HOH VJ 41 . ? -12.074 23.045 -18.675 0.60 54.68 ? 518 HOH a O 1 +HETATM 61657 O O . HOH VJ 41 . ? -13.404 13.649 -27.222 1.00 50.27 ? 519 HOH a O 1 +HETATM 61658 O O A HOH VJ 41 . ? -0.833 26.019 4.863 0.40 56.66 ? 520 HOH a O 1 +HETATM 61659 O O B HOH VJ 41 . ? -0.862 25.984 4.772 0.60 56.71 ? 520 HOH a O 1 +HETATM 61660 O O A HOH VJ 41 . ? 16.984 -1.967 24.352 0.40 79.73 ? 521 HOH a O 1 +HETATM 61661 O O B HOH VJ 41 . ? 17.055 -2.009 24.621 0.60 80.89 ? 521 HOH a O 1 +HETATM 61662 O O . HOH VJ 41 . ? -6.302 2.133 -15.237 1.00 44.67 ? 522 HOH a O 1 +HETATM 61663 O O A HOH VJ 41 . ? 22.396 -12.831 22.341 0.40 65.47 ? 523 HOH a O 1 +HETATM 61664 O O B HOH VJ 41 . ? 22.401 -12.912 22.435 0.60 65.44 ? 523 HOH a O 1 +HETATM 61665 O O A HOH VJ 41 . ? -5.886 22.834 -7.277 0.40 58.26 ? 524 HOH a O 1 +HETATM 61666 O O B HOH VJ 41 . ? -5.746 22.424 -7.083 0.60 57.51 ? 524 HOH a O 1 +HETATM 61667 O O . HOH VJ 41 . ? -9.699 -12.737 15.660 1.00 54.52 ? 525 HOH a O 1 +HETATM 61668 O O A HOH VJ 41 . ? 18.686 -17.519 16.020 0.40 72.47 ? 526 HOH a O 1 +HETATM 61669 O O B HOH VJ 41 . ? 18.797 -17.461 15.987 0.60 72.62 ? 526 HOH a O 1 +HETATM 61670 O O . HOH VJ 41 . ? 18.449 36.833 -12.489 1.00 92.98 ? 527 HOH a O 1 +HETATM 61671 O O . HOH VJ 41 . ? 8.442 44.280 -4.957 1.00 71.15 ? 528 HOH a O 1 +HETATM 61672 O O A HOH VJ 41 . ? -11.849 21.050 -16.834 0.40 49.51 ? 529 HOH a O 1 +HETATM 61673 O O B HOH VJ 41 . ? -11.847 21.164 -16.669 0.60 49.29 ? 529 HOH a O 1 +HETATM 61674 O O A HOH VJ 41 . ? -16.341 14.012 -18.523 0.40 48.42 ? 530 HOH a O 1 +HETATM 61675 O O B HOH VJ 41 . ? -16.377 14.063 -18.624 0.60 48.58 ? 530 HOH a O 1 +HETATM 61676 O O A HOH VJ 41 . ? -9.518 14.871 -19.648 0.40 44.46 ? 531 HOH a O 1 +HETATM 61677 O O B HOH VJ 41 . ? -9.437 14.962 -19.596 0.60 44.32 ? 531 HOH a O 1 +HETATM 61678 O O A HOH VJ 41 . ? -5.273 25.747 -20.260 0.40 47.66 ? 532 HOH a O 1 +HETATM 61679 O O B HOH VJ 41 . ? -5.295 25.727 -20.359 0.60 47.75 ? 532 HOH a O 1 +HETATM 61680 O O . HOH VJ 41 . ? -10.184 -11.971 22.902 1.00 74.29 ? 533 HOH a O 1 +HETATM 61681 O O A HOH VJ 41 . ? 10.508 21.677 1.256 0.40 44.52 ? 534 HOH a O 1 +HETATM 61682 O O B HOH VJ 41 . ? 10.537 21.633 1.264 0.60 44.49 ? 534 HOH a O 1 +HETATM 61683 O O A HOH VJ 41 . ? 29.656 -14.540 13.515 0.40 58.50 ? 535 HOH a O 1 +HETATM 61684 O O B HOH VJ 41 . ? 29.808 -14.596 13.474 0.60 57.98 ? 535 HOH a O 1 +HETATM 61685 O O . HOH VJ 41 . ? -6.853 3.044 -20.192 1.00 55.18 ? 536 HOH a O 1 +HETATM 61686 O O A HOH VJ 41 . ? 8.885 32.301 -2.500 0.40 52.75 ? 537 HOH a O 1 +HETATM 61687 O O B HOH VJ 41 . ? 8.906 32.259 -2.475 0.60 52.86 ? 537 HOH a O 1 +HETATM 61688 O O A HOH VJ 41 . ? -6.705 17.342 -12.630 0.40 44.66 ? 538 HOH a O 1 +HETATM 61689 O O B HOH VJ 41 . ? -6.815 17.310 -12.674 0.60 44.77 ? 538 HOH a O 1 +HETATM 61690 O O A HOH VJ 41 . ? -4.841 16.281 -15.349 0.40 50.78 ? 539 HOH a O 1 +HETATM 61691 O O B HOH VJ 41 . ? -4.832 16.189 -15.414 0.60 50.97 ? 539 HOH a O 1 +HETATM 61692 O O . HOH VJ 41 . ? 13.414 37.392 -3.183 1.00 55.23 ? 540 HOH a O 1 +HETATM 61693 O O A HOH VJ 41 . ? -19.555 13.059 -16.010 0.40 53.52 ? 541 HOH a O 1 +HETATM 61694 O O B HOH VJ 41 . ? -19.478 13.019 -16.052 0.60 53.67 ? 541 HOH a O 1 +HETATM 61695 O O A HOH VJ 41 . ? -5.279 14.529 -10.341 0.40 50.64 ? 542 HOH a O 1 +HETATM 61696 O O B HOH VJ 41 . ? -5.213 14.699 -10.347 0.60 51.09 ? 542 HOH a O 1 +HETATM 61697 O O A HOH VJ 41 . ? 1.063 6.676 -13.650 0.40 44.09 ? 543 HOH a O 1 +HETATM 61698 O O B HOH VJ 41 . ? 1.054 6.728 -13.599 0.60 44.22 ? 543 HOH a O 1 +HETATM 61699 O O A HOH VJ 41 . ? -2.064 29.149 -6.812 0.40 69.56 ? 544 HOH a O 1 +HETATM 61700 O O B HOH VJ 41 . ? -2.070 29.169 -6.810 0.60 69.77 ? 544 HOH a O 1 +HETATM 61701 O O . HOH VJ 41 . ? -20.738 -2.682 -23.626 1.00 76.15 ? 545 HOH a O 1 +HETATM 61702 O O . HOH VJ 41 . ? -10.006 -5.382 14.415 1.00 64.99 ? 546 HOH a O 1 +HETATM 61703 O O A HOH VJ 41 . ? -11.161 24.653 -22.808 0.40 54.29 ? 547 HOH a O 1 +HETATM 61704 O O B HOH VJ 41 . ? -11.294 24.391 -22.214 0.60 56.21 ? 547 HOH a O 1 +HETATM 61705 O O A HOH VJ 41 . ? -18.653 12.766 -19.488 0.40 51.38 ? 548 HOH a O 1 +HETATM 61706 O O B HOH VJ 41 . ? -18.596 12.753 -19.519 0.60 51.45 ? 548 HOH a O 1 +HETATM 61707 O O . HOH VJ 41 . ? 33.983 -15.547 7.507 1.00 84.43 ? 549 HOH a O 1 +HETATM 61708 O O . HOH VJ 41 . ? -25.390 8.983 -15.021 1.00 75.52 ? 550 HOH a O 1 +HETATM 61709 O O A HOH VJ 41 . ? -5.409 31.726 1.050 0.40 67.46 ? 551 HOH a O 1 +HETATM 61710 O O B HOH VJ 41 . ? -5.464 31.397 1.116 0.60 67.88 ? 551 HOH a O 1 +HETATM 61711 O O A HOH VJ 41 . ? 0.500 29.388 -9.566 0.40 69.60 ? 552 HOH a O 1 +HETATM 61712 O O B HOH VJ 41 . ? 0.625 29.223 -9.694 0.60 70.16 ? 552 HOH a O 1 +HETATM 61713 O O . HOH VJ 41 . ? -4.414 -3.628 11.486 1.00 51.57 ? 553 HOH a O 1 +HETATM 61714 O O A HOH VJ 41 . ? -5.075 14.637 6.372 0.40 71.01 ? 554 HOH a O 1 +HETATM 61715 O O B HOH VJ 41 . ? -5.149 14.610 6.549 0.60 72.06 ? 554 HOH a O 1 +HETATM 61716 O O . HOH VJ 41 . ? 21.414 49.575 -7.923 1.00 58.61 ? 555 HOH a O 1 +HETATM 61717 O O A HOH VJ 41 . ? 0.171 -0.531 20.560 0.40 53.94 ? 556 HOH a O 1 +HETATM 61718 O O B HOH VJ 41 . ? 0.203 -0.450 20.563 0.60 54.12 ? 556 HOH a O 1 +HETATM 61719 O O A HOH VJ 41 . ? -11.030 5.643 -12.752 0.40 49.67 ? 557 HOH a O 1 +HETATM 61720 O O B HOH VJ 41 . ? -11.029 5.675 -12.754 0.60 49.78 ? 557 HOH a O 1 +HETATM 61721 O O A HOH VJ 41 . ? 1.194 -3.445 28.586 0.40 53.07 ? 558 HOH a O 1 +HETATM 61722 O O B HOH VJ 41 . ? 1.272 -3.350 28.578 0.60 53.08 ? 558 HOH a O 1 +HETATM 61723 O O A HOH VJ 41 . ? -2.153 0.087 18.798 0.40 51.41 ? 559 HOH a O 1 +HETATM 61724 O O B HOH VJ 41 . ? -2.213 0.215 18.820 0.60 51.74 ? 559 HOH a O 1 +HETATM 61725 O O . HOH VJ 41 . ? 15.801 50.851 -14.380 1.00 66.24 ? 560 HOH a O 1 +HETATM 61726 O O A HOH VJ 41 . ? -10.651 31.801 -23.898 0.40 59.40 ? 561 HOH a O 1 +HETATM 61727 O O B HOH VJ 41 . ? -10.567 31.720 -23.718 0.60 59.27 ? 561 HOH a O 1 +HETATM 61728 O O . HOH VJ 41 . ? -3.783 -1.426 24.551 1.00 52.21 ? 562 HOH a O 1 +HETATM 61729 O O A HOH VJ 41 . ? 3.550 6.964 -5.687 0.40 42.99 ? 563 HOH a O 1 +HETATM 61730 O O B HOH VJ 41 . ? 3.533 6.941 -5.571 0.60 42.89 ? 563 HOH a O 1 +HETATM 61731 O O . HOH VJ 41 . ? -11.806 3.414 -17.102 1.00 49.05 ? 564 HOH a O 1 +HETATM 61732 O O A HOH VJ 41 . ? -5.809 26.302 -6.152 0.40 74.23 ? 565 HOH a O 1 +HETATM 61733 O O B HOH VJ 41 . ? -5.528 26.075 -6.230 0.60 76.01 ? 565 HOH a O 1 +HETATM 61734 O O . HOH VJ 41 . ? 18.647 46.753 -2.429 1.00 71.57 ? 566 HOH a O 1 +HETATM 61735 O O A HOH VJ 41 . ? -4.128 18.467 -11.462 0.40 46.76 ? 567 HOH a O 1 +HETATM 61736 O O B HOH VJ 41 . ? -4.113 18.389 -11.600 0.60 46.74 ? 567 HOH a O 1 +HETATM 61737 O O A HOH VJ 41 . ? -0.917 19.704 -20.423 0.40 51.33 ? 568 HOH a O 1 +HETATM 61738 O O B HOH VJ 41 . ? -0.982 19.507 -20.417 0.60 51.49 ? 568 HOH a O 1 +HETATM 61739 O O A HOH VJ 41 . ? -1.607 18.482 -7.713 0.40 50.96 ? 569 HOH a O 1 +HETATM 61740 O O B HOH VJ 41 . ? -1.667 18.413 -7.821 0.60 50.99 ? 569 HOH a O 1 +HETATM 61741 O O . HOH VJ 41 . ? 13.742 39.521 -5.125 1.00 53.85 ? 570 HOH a O 1 +HETATM 61742 O O . HOH VJ 41 . ? -11.970 -14.989 22.064 1.00 80.99 ? 571 HOH a O 1 +HETATM 61743 O O . HOH VJ 41 . ? -24.902 13.559 -8.108 1.00 76.94 ? 572 HOH a O 1 +HETATM 61744 O O A HOH VJ 41 . ? -1.222 7.017 -17.595 0.40 43.82 ? 573 HOH a O 1 +HETATM 61745 O O B HOH VJ 41 . ? -1.090 6.996 -17.582 0.60 43.71 ? 573 HOH a O 1 +HETATM 61746 O O A HOH VJ 41 . ? -2.839 17.420 -13.416 0.40 48.42 ? 574 HOH a O 1 +HETATM 61747 O O B HOH VJ 41 . ? -2.753 17.353 -13.537 0.60 48.16 ? 574 HOH a O 1 +HETATM 61748 O O A HOH VJ 41 . ? -3.331 30.938 -12.583 0.40 51.40 ? 575 HOH a O 1 +HETATM 61749 O O B HOH VJ 41 . ? -3.393 30.880 -12.505 0.60 51.35 ? 575 HOH a O 1 +HETATM 61750 O O A HOH VJ 41 . ? -17.733 19.970 -6.690 0.40 58.55 ? 576 HOH a O 1 +HETATM 61751 O O B HOH VJ 41 . ? -17.679 20.121 -6.554 0.60 59.05 ? 576 HOH a O 1 +HETATM 61752 O O . HOH VJ 41 . ? -29.081 9.983 -0.484 1.00 111.34 ? 577 HOH a O 1 +HETATM 61753 O O A HOH VJ 41 . ? -7.732 4.577 -17.804 0.40 58.19 ? 578 HOH a O 1 +HETATM 61754 O O B HOH VJ 41 . ? -7.699 4.502 -17.742 0.60 58.42 ? 578 HOH a O 1 +HETATM 61755 O O A HOH VJ 41 . ? -8.952 26.620 -5.106 0.40 61.04 ? 579 HOH a O 1 +HETATM 61756 O O B HOH VJ 41 . ? -8.861 26.584 -5.134 0.60 61.10 ? 579 HOH a O 1 +HETATM 61757 O O A HOH VJ 41 . ? 7.465 0.462 33.090 0.40 62.79 ? 580 HOH a O 1 +HETATM 61758 O O B HOH VJ 41 . ? 7.558 0.319 33.101 0.60 63.21 ? 580 HOH a O 1 +HETATM 61759 O O A HOH VJ 41 . ? -14.503 13.836 -9.800 0.40 53.04 ? 581 HOH a O 1 +HETATM 61760 O O B HOH VJ 41 . ? -14.554 14.029 -9.760 0.60 53.15 ? 581 HOH a O 1 +HETATM 61761 O O . HOH VJ 41 . ? 7.455 43.953 -8.927 1.00 63.80 ? 582 HOH a O 1 +HETATM 61762 O O . HOH VJ 41 . ? 14.600 45.431 -1.064 1.00 63.63 ? 583 HOH a O 1 +HETATM 61763 O O . HOH VJ 41 . ? 9.733 48.613 -8.028 1.00 67.33 ? 584 HOH a O 1 +HETATM 61764 O O . HOH VJ 41 . ? -11.722 -2.606 -21.136 1.00 71.87 ? 585 HOH a O 1 +HETATM 61765 O O A HOH VJ 41 . ? 2.867 31.179 -2.623 0.40 59.81 ? 586 HOH a O 1 +HETATM 61766 O O B HOH VJ 41 . ? 2.852 31.199 -2.655 0.60 60.02 ? 586 HOH a O 1 +HETATM 61767 O O A HOH VJ 41 . ? -3.458 28.274 -8.768 0.40 71.87 ? 587 HOH a O 1 +HETATM 61768 O O B HOH VJ 41 . ? -3.449 28.033 -8.401 0.60 75.61 ? 587 HOH a O 1 +HETATM 61769 O O . HOH VJ 41 . ? 18.151 40.126 -10.891 1.00 77.25 ? 588 HOH a O 1 +HETATM 61770 O O . HOH VJ 41 . ? -13.292 -12.884 23.435 1.00 73.07 ? 589 HOH a O 1 +HETATM 61771 O O A HOH VJ 41 . ? -21.309 17.234 -11.114 0.40 50.25 ? 590 HOH a O 1 +HETATM 61772 O O B HOH VJ 41 . ? -21.111 17.194 -11.141 0.60 49.87 ? 590 HOH a O 1 +HETATM 61773 O O . HOH VJ 41 . ? -23.327 11.658 -9.607 1.00 65.34 ? 591 HOH a O 1 +HETATM 61774 O O A HOH VJ 41 . ? -23.380 13.662 -5.009 0.40 54.85 ? 592 HOH a O 1 +HETATM 61775 O O B HOH VJ 41 . ? -23.457 13.716 -4.971 0.60 54.93 ? 592 HOH a O 1 +HETATM 61776 O O . HOH VJ 41 . ? -28.762 4.047 -13.589 1.00 76.19 ? 593 HOH a O 1 +HETATM 61777 O O A HOH VJ 41 . ? -7.286 11.436 -25.669 0.40 70.40 ? 594 HOH a O 1 +HETATM 61778 O O B HOH VJ 41 . ? -7.319 11.694 -25.819 0.60 71.39 ? 594 HOH a O 1 +HETATM 61779 O O A HOH VJ 41 . ? 15.388 -18.039 17.328 0.40 88.06 ? 595 HOH a O 1 +HETATM 61780 O O B HOH VJ 41 . ? 15.370 -18.009 17.307 0.60 88.18 ? 595 HOH a O 1 +HETATM 61781 O O . HOH VJ 41 . ? -26.360 9.147 -17.159 1.00 76.31 ? 596 HOH a O 1 +HETATM 61782 O O A HOH VJ 41 . ? -2.571 25.378 -19.414 0.40 50.14 ? 597 HOH a O 1 +HETATM 61783 O O B HOH VJ 41 . ? -2.616 25.257 -19.323 0.60 49.96 ? 597 HOH a O 1 +HETATM 61784 O O A HOH VJ 41 . ? 3.614 18.684 3.008 0.40 58.04 ? 598 HOH a O 1 +HETATM 61785 O O B HOH VJ 41 . ? 3.494 18.569 2.976 0.60 58.42 ? 598 HOH a O 1 +HETATM 61786 O O A HOH VJ 41 . ? 16.801 -16.698 28.230 0.40 76.34 ? 599 HOH a O 1 +HETATM 61787 O O B HOH VJ 41 . ? 17.024 -16.787 28.021 0.60 74.53 ? 599 HOH a O 1 +HETATM 61788 O O A HOH VJ 41 . ? -2.321 14.708 -10.718 0.40 54.83 ? 600 HOH a O 1 +HETATM 61789 O O B HOH VJ 41 . ? -2.314 14.952 -10.591 0.60 56.71 ? 600 HOH a O 1 +HETATM 61790 O O A HOH VJ 41 . ? -5.117 26.172 -8.699 0.40 73.61 ? 601 HOH a O 1 +HETATM 61791 O O B HOH VJ 41 . ? -4.965 26.302 -8.622 0.60 74.50 ? 601 HOH a O 1 +HETATM 61792 O O A HOH VJ 41 . ? -11.648 26.157 -3.970 0.40 59.50 ? 602 HOH a O 1 +HETATM 61793 O O B HOH VJ 41 . ? -11.553 26.033 -3.980 0.60 59.67 ? 602 HOH a O 1 +HETATM 61794 O O . HOH VJ 41 . ? -0.066 -7.564 30.002 1.00 72.98 ? 603 HOH a O 1 +HETATM 61795 O O . HOH VJ 41 . ? 15.211 44.355 -12.643 1.00 76.94 ? 604 HOH a O 1 +HETATM 61796 O O A HOH VJ 41 . ? 19.040 -14.969 28.222 0.40 83.40 ? 605 HOH a O 1 +HETATM 61797 O O B HOH VJ 41 . ? 19.098 -14.912 27.931 0.60 82.28 ? 605 HOH a O 1 +HETATM 61798 O O A HOH VJ 41 . ? -8.116 4.315 -14.998 0.40 48.47 ? 606 HOH a O 1 +HETATM 61799 O O B HOH VJ 41 . ? -7.991 4.267 -15.056 0.60 48.54 ? 606 HOH a O 1 +HETATM 61800 O O . HOH VJ 41 . ? 9.464 36.271 -9.532 1.00 56.67 ? 607 HOH a O 1 +HETATM 61801 O O . HOH VJ 41 . ? 18.781 22.002 1.764 1.00 51.99 ? 608 HOH a O 1 +HETATM 61802 O O . HOH VJ 41 . ? 11.620 52.860 -6.129 1.00 80.81 ? 609 HOH a O 1 +HETATM 61803 O O A HOH VJ 41 . ? 8.827 31.530 -5.354 0.40 57.39 ? 610 HOH a O 1 +HETATM 61804 O O B HOH VJ 41 . ? 8.902 31.589 -5.357 0.60 57.49 ? 610 HOH a O 1 +HETATM 61805 O O A HOH VJ 41 . ? 10.682 -14.245 27.213 0.40 77.57 ? 611 HOH a O 1 +HETATM 61806 O O B HOH VJ 41 . ? 10.709 -14.400 27.245 0.60 77.98 ? 611 HOH a O 1 +HETATM 61807 O O A HOH VJ 41 . ? -3.598 27.820 -4.427 0.40 67.58 ? 612 HOH a O 1 +HETATM 61808 O O B HOH VJ 41 . ? -3.587 27.742 -4.364 0.60 67.82 ? 612 HOH a O 1 +HETATM 61809 O O A HOH VJ 41 . ? -11.202 30.261 -5.946 0.40 61.81 ? 613 HOH a O 1 +HETATM 61810 O O B HOH VJ 41 . ? -11.467 30.301 -6.040 0.60 62.55 ? 613 HOH a O 1 +HETATM 61811 O O A HOH VJ 41 . ? -20.117 19.698 -14.695 0.40 52.66 ? 614 HOH a O 1 +HETATM 61812 O O B HOH VJ 41 . ? -19.999 19.727 -14.619 0.60 52.72 ? 614 HOH a O 1 +HETATM 61813 O O . HOH VJ 41 . ? 18.889 50.929 -13.495 1.00 73.12 ? 615 HOH a O 1 +HETATM 61814 O O . HOH VJ 41 . ? -23.696 -1.925 -18.036 1.00 70.85 ? 616 HOH a O 1 +HETATM 61815 O O A HOH VJ 41 . ? -8.956 28.417 -14.930 0.40 58.40 ? 617 HOH a O 1 +HETATM 61816 O O B HOH VJ 41 . ? -8.895 28.375 -14.873 0.60 58.59 ? 617 HOH a O 1 +HETATM 61817 O O . HOH VJ 41 . ? -9.115 -15.348 22.515 1.00 71.41 ? 618 HOH a O 1 +HETATM 61818 O O A HOH VJ 41 . ? -9.625 27.538 -12.561 0.40 55.64 ? 619 HOH a O 1 +HETATM 61819 O O B HOH VJ 41 . ? -9.629 27.383 -12.868 0.60 57.28 ? 619 HOH a O 1 +HETATM 61820 O O A HOH VJ 41 . ? -4.404 20.389 -8.795 0.40 55.27 ? 620 HOH a O 1 +HETATM 61821 O O B HOH VJ 41 . ? -4.379 20.388 -8.896 0.60 55.44 ? 620 HOH a O 1 +HETATM 61822 O O A HOH VJ 41 . ? -5.652 19.278 -21.227 0.40 51.27 ? 621 HOH a O 1 +HETATM 61823 O O B HOH VJ 41 . ? -5.467 19.089 -21.196 0.60 50.19 ? 621 HOH a O 1 +HETATM 61824 O O . HOH VJ 41 . ? -6.444 -19.521 12.492 1.00 83.00 ? 622 HOH a O 1 +HETATM 61825 O O A HOH VJ 41 . ? -19.611 16.948 -18.967 0.40 51.77 ? 623 HOH a O 1 +HETATM 61826 O O B HOH VJ 41 . ? -19.756 16.913 -19.012 0.60 52.10 ? 623 HOH a O 1 +HETATM 61827 O O . HOH VJ 41 . ? -8.119 -11.332 25.333 1.00 72.92 ? 624 HOH a O 1 +HETATM 61828 O O A HOH VJ 41 . ? 19.051 9.020 28.244 0.40 88.84 ? 625 HOH a O 1 +HETATM 61829 O O B HOH VJ 41 . ? 19.121 9.128 28.146 0.60 89.09 ? 625 HOH a O 1 +HETATM 61830 O O A HOH VJ 41 . ? -23.251 15.588 -11.358 0.40 60.27 ? 626 HOH a O 1 +HETATM 61831 O O B HOH VJ 41 . ? -23.251 15.546 -11.341 0.60 60.44 ? 626 HOH a O 1 +HETATM 61832 O O A HOH VJ 41 . ? -3.736 17.664 -8.838 0.40 54.31 ? 627 HOH a O 1 +HETATM 61833 O O B HOH VJ 41 . ? -3.807 17.446 -9.334 0.60 62.85 ? 627 HOH a O 1 +HETATM 61834 O O . HOH VJ 41 . ? 17.556 -21.238 10.336 1.00 84.06 ? 628 HOH a O 1 +HETATM 61835 O O A HOH VJ 41 . ? -2.051 28.992 -10.794 0.40 81.55 ? 629 HOH a O 1 +HETATM 61836 O O B HOH VJ 41 . ? -2.164 28.476 -10.824 0.60 81.32 ? 629 HOH a O 1 +HETATM 61837 O O . HOH VJ 41 . ? 7.099 42.100 -12.820 1.00 66.67 ? 630 HOH a O 1 +HETATM 61838 O O A HOH VJ 41 . ? -10.605 3.626 -14.472 0.40 46.35 ? 631 HOH a O 1 +HETATM 61839 O O B HOH VJ 41 . ? -10.509 3.599 -14.468 0.60 46.40 ? 631 HOH a O 1 +HETATM 61840 O O . HOH WJ 41 . ? 17.741 9.187 -46.697 1.00 95.54 ? 701 HOH b O 1 +HETATM 61841 O O . HOH WJ 41 . ? 28.628 15.587 -49.113 1.00 80.46 ? 702 HOH b O 1 +HETATM 61842 O O . HOH WJ 41 . ? 21.291 15.217 -49.486 1.00 102.09 ? 703 HOH b O 1 +HETATM 61843 O O . HOH WJ 41 . ? 21.378 32.925 -27.112 1.00 66.55 ? 704 HOH b O 1 +HETATM 61844 O O . HOH WJ 41 . ? 23.213 31.664 -41.444 1.00 70.87 ? 705 HOH b O 1 +HETATM 61845 O O . HOH WJ 41 . ? 51.008 4.074 -39.319 1.00 89.23 ? 706 HOH b O 1 +HETATM 61846 O O . HOH WJ 41 . ? 60.546 16.516 -16.932 1.00 69.25 ? 707 HOH b O 1 +HETATM 61847 O O . HOH WJ 41 . ? 23.767 21.021 -55.303 1.00 78.08 ? 708 HOH b O 1 +HETATM 61848 O O . HOH WJ 41 . ? 60.092 -14.704 1.857 1.00 73.56 ? 709 HOH b O 1 +HETATM 61849 O O . HOH WJ 41 . ? 41.863 11.081 -33.160 1.00 57.25 ? 710 HOH b O 1 +HETATM 61850 O O . HOH WJ 41 . ? 44.613 0.449 -25.750 1.00 51.43 ? 711 HOH b O 1 +HETATM 61851 O O . HOH WJ 41 . ? 30.889 -3.238 -28.359 1.00 51.06 ? 712 HOH b O 1 +HETATM 61852 O O . HOH WJ 41 . ? 48.466 12.238 -21.708 1.00 60.42 ? 713 HOH b O 1 +HETATM 61853 O O . HOH WJ 41 . ? 3.698 28.691 -44.010 1.00 67.14 ? 714 HOH b O 1 +HETATM 61854 O O . HOH WJ 41 . ? 39.054 25.480 -32.667 1.00 59.22 ? 715 HOH b O 1 +HETATM 61855 O O . HOH WJ 41 . ? 34.518 3.048 -30.747 1.00 62.63 ? 716 HOH b O 1 +HETATM 61856 O O . HOH WJ 41 . ? 29.956 11.133 -48.068 1.00 92.80 ? 717 HOH b O 1 +HETATM 61857 O O . HOH WJ 41 . ? 27.313 31.549 -42.146 1.00 79.12 ? 718 HOH b O 1 +HETATM 61858 O O . HOH WJ 41 . ? 17.662 16.056 -27.880 1.00 50.72 ? 719 HOH b O 1 +HETATM 61859 O O . HOH WJ 41 . ? 38.710 4.032 27.523 1.00 106.71 ? 720 HOH b O 1 +HETATM 61860 O O . HOH WJ 41 . ? 31.091 17.520 -29.278 1.00 57.88 ? 721 HOH b O 1 +HETATM 61861 O O . HOH WJ 41 . ? 47.206 -24.216 -0.710 1.00 52.90 ? 722 HOH b O 1 +HETATM 61862 O O . HOH WJ 41 . ? 26.173 22.771 -24.273 1.00 51.41 ? 723 HOH b O 1 +HETATM 61863 O O . HOH WJ 41 . ? 60.152 -6.313 2.263 1.00 90.29 ? 724 HOH b O 1 +HETATM 61864 O O . HOH WJ 41 . ? 44.183 7.895 -18.848 1.00 45.66 ? 725 HOH b O 1 +HETATM 61865 O O . HOH WJ 41 . ? 1.728 23.985 -34.813 1.00 62.78 ? 726 HOH b O 1 +HETATM 61866 O O . HOH WJ 41 . ? 33.618 2.343 -41.504 1.00 52.67 ? 727 HOH b O 1 +HETATM 61867 O O . HOH WJ 41 . ? 31.644 11.099 -28.490 1.00 53.17 ? 728 HOH b O 1 +HETATM 61868 O O . HOH WJ 41 . ? 16.022 36.323 -48.267 1.00 90.78 ? 729 HOH b O 1 +HETATM 61869 O O . HOH WJ 41 . ? 34.910 -15.320 -44.177 1.00 80.71 ? 730 HOH b O 1 +HETATM 61870 O O . HOH WJ 41 . ? 22.145 18.926 -38.163 1.00 58.97 ? 731 HOH b O 1 +HETATM 61871 O O . HOH WJ 41 . ? 28.033 -1.660 -37.603 1.00 67.58 ? 732 HOH b O 1 +HETATM 61872 O O . HOH WJ 41 . ? 24.557 22.849 -42.453 1.00 60.44 ? 733 HOH b O 1 +HETATM 61873 O O . HOH WJ 41 . ? 47.626 10.387 -29.103 1.00 58.51 ? 734 HOH b O 1 +HETATM 61874 O O . HOH WJ 41 . ? 18.888 13.703 -26.077 1.00 52.28 ? 735 HOH b O 1 +HETATM 61875 O O . HOH WJ 41 . ? 29.952 24.930 -38.872 1.00 55.95 ? 736 HOH b O 1 +HETATM 61876 O O . HOH WJ 41 . ? 37.662 17.990 -24.569 1.00 58.26 ? 737 HOH b O 1 +HETATM 61877 O O . HOH WJ 41 . ? 26.967 -1.664 -34.867 1.00 61.99 ? 738 HOH b O 1 +HETATM 61878 O O . HOH WJ 41 . ? 20.134 16.503 -23.845 1.00 46.32 ? 739 HOH b O 1 +HETATM 61879 O O . HOH WJ 41 . ? -4.368 38.533 -29.602 1.00 83.99 ? 740 HOH b O 1 +HETATM 61880 O O . HOH WJ 41 . ? 51.389 -8.587 -37.282 1.00 83.43 ? 741 HOH b O 1 +HETATM 61881 O O . HOH WJ 41 . ? 13.830 1.749 -30.932 1.00 57.12 ? 742 HOH b O 1 +HETATM 61882 O O . HOH WJ 41 . ? 40.552 7.331 -20.178 1.00 52.95 ? 743 HOH b O 1 +HETATM 61883 O O . HOH WJ 41 . ? 29.842 16.528 -31.817 1.00 55.95 ? 744 HOH b O 1 +HETATM 61884 O O . HOH WJ 41 . ? 13.103 7.435 -37.260 1.00 77.42 ? 745 HOH b O 1 +HETATM 61885 O O A HOH WJ 41 . ? 27.930 -12.893 17.700 0.40 59.68 ? 746 HOH b O 1 +HETATM 61886 O O B HOH WJ 41 . ? 27.978 -13.142 17.590 0.60 59.54 ? 746 HOH b O 1 +HETATM 61887 O O . HOH WJ 41 . ? 45.309 9.644 -20.289 1.00 54.63 ? 747 HOH b O 1 +HETATM 61888 O O . HOH WJ 41 . ? 19.332 15.965 -41.194 1.00 71.08 ? 748 HOH b O 1 +HETATM 61889 O O . HOH WJ 41 . ? 5.531 30.142 -38.638 1.00 56.18 ? 749 HOH b O 1 +HETATM 61890 O O . HOH WJ 41 . ? 40.644 -9.580 8.218 1.00 58.73 ? 750 HOH b O 1 +HETATM 61891 O O . HOH WJ 41 . ? 51.131 13.247 -21.521 1.00 66.07 ? 751 HOH b O 1 +HETATM 61892 O O . HOH WJ 41 . ? 58.460 20.595 -22.376 1.00 71.45 ? 752 HOH b O 1 +HETATM 61893 O O . HOH WJ 41 . ? 17.202 28.130 -31.831 1.00 51.16 ? 753 HOH b O 1 +HETATM 61894 O O . HOH WJ 41 . ? 25.467 -19.074 9.435 1.00 63.59 ? 754 HOH b O 1 +HETATM 61895 O O . HOH WJ 41 . ? 22.119 8.522 -31.979 1.00 56.45 ? 755 HOH b O 1 +HETATM 61896 O O . HOH WJ 41 . ? 40.454 27.359 -35.041 1.00 81.20 ? 756 HOH b O 1 +HETATM 61897 O O . HOH WJ 41 . ? 27.057 7.238 -39.164 1.00 48.48 ? 757 HOH b O 1 +HETATM 61898 O O . HOH WJ 41 . ? 22.153 32.847 -32.910 1.00 74.87 ? 758 HOH b O 1 +HETATM 61899 O O . HOH WJ 41 . ? 34.237 -6.328 -39.854 1.00 59.44 ? 759 HOH b O 1 +HETATM 61900 O O . HOH WJ 41 . ? 31.994 22.610 -32.536 1.00 54.57 ? 760 HOH b O 1 +HETATM 61901 O O . HOH WJ 41 . ? 53.079 -11.269 5.317 1.00 63.32 ? 761 HOH b O 1 +HETATM 61902 O O . HOH WJ 41 . ? 28.003 4.249 -31.048 1.00 43.29 ? 762 HOH b O 1 +HETATM 61903 O O . HOH WJ 41 . ? 28.156 19.673 -24.718 1.00 50.43 ? 763 HOH b O 1 +HETATM 61904 O O . HOH WJ 41 . ? 8.286 30.564 -38.456 1.00 58.02 ? 764 HOH b O 1 +HETATM 61905 O O . HOH WJ 41 . ? 45.445 -17.910 0.684 1.00 88.04 ? 765 HOH b O 1 +HETATM 61906 O O . HOH WJ 41 . ? 47.507 -2.076 3.281 1.00 59.19 ? 766 HOH b O 1 +HETATM 61907 O O . HOH WJ 41 . ? 23.498 10.336 -31.309 1.00 70.23 ? 767 HOH b O 1 +HETATM 61908 O O . HOH WJ 41 . ? 19.269 32.329 -48.126 1.00 79.02 ? 768 HOH b O 1 +HETATM 61909 O O . HOH WJ 41 . ? 30.347 26.357 -57.209 1.00 113.02 ? 769 HOH b O 1 +HETATM 61910 O O . HOH WJ 41 . ? 50.359 -26.371 1.201 1.00 74.30 ? 770 HOH b O 1 +HETATM 61911 O O . HOH WJ 41 . ? 36.491 3.648 -37.626 1.00 56.08 ? 771 HOH b O 1 +HETATM 61912 O O . HOH WJ 41 . ? 18.018 11.283 -22.195 1.00 42.46 ? 772 HOH b O 1 +HETATM 61913 O O . HOH WJ 41 . ? 23.794 3.739 -26.554 1.00 51.61 ? 773 HOH b O 1 +HETATM 61914 O O . HOH WJ 41 . ? 30.372 28.029 -27.848 1.00 84.16 ? 774 HOH b O 1 +HETATM 61915 O O . HOH WJ 41 . ? 47.669 -3.795 -1.585 1.00 54.92 ? 775 HOH b O 1 +HETATM 61916 O O . HOH WJ 41 . ? 40.073 -23.611 -0.030 1.00 59.99 ? 776 HOH b O 1 +HETATM 61917 O O . HOH WJ 41 . ? 27.310 16.000 -19.251 1.00 50.84 ? 777 HOH b O 1 +HETATM 61918 O O . HOH WJ 41 . ? 47.281 -4.781 -37.481 1.00 60.09 ? 778 HOH b O 1 +HETATM 61919 O O . HOH WJ 41 . ? 34.760 7.237 -46.944 1.00 78.65 ? 779 HOH b O 1 +HETATM 61920 O O . HOH WJ 41 . ? 23.756 39.548 -39.360 1.00 74.13 ? 780 HOH b O 1 +HETATM 61921 O O . HOH WJ 41 . ? 37.761 26.352 -46.779 1.00 74.94 ? 781 HOH b O 1 +HETATM 61922 O O . HOH WJ 41 . ? 4.466 38.532 -29.356 1.00 71.29 ? 782 HOH b O 1 +HETATM 61923 O O . HOH WJ 41 . ? 14.804 13.802 -26.926 1.00 52.80 ? 783 HOH b O 1 +HETATM 61924 O O . HOH WJ 41 . ? 47.451 11.418 -19.691 1.00 64.45 ? 784 HOH b O 1 +HETATM 61925 O O . HOH WJ 41 . ? 36.178 14.395 -44.999 1.00 61.87 ? 785 HOH b O 1 +HETATM 61926 O O . HOH WJ 41 . ? 7.810 22.772 -41.614 1.00 77.46 ? 786 HOH b O 1 +HETATM 61927 O O . HOH WJ 41 . ? 1.973 35.110 -30.307 1.00 81.27 ? 787 HOH b O 1 +HETATM 61928 O O . HOH WJ 41 . ? 52.256 -12.115 11.007 1.00 87.32 ? 788 HOH b O 1 +HETATM 61929 O O . HOH WJ 41 . ? 16.373 18.599 -20.951 1.00 47.02 ? 789 HOH b O 1 +HETATM 61930 O O . HOH WJ 41 . ? 23.685 2.969 -45.382 1.00 77.79 ? 790 HOH b O 1 +HETATM 61931 O O . HOH WJ 41 . ? 56.600 17.315 -27.009 1.00 106.61 ? 791 HOH b O 1 +HETATM 61932 O O . HOH WJ 41 . ? 22.414 6.377 -24.986 1.00 45.51 ? 792 HOH b O 1 +HETATM 61933 O O . HOH WJ 41 . ? 32.953 14.184 -23.065 1.00 48.70 ? 793 HOH b O 1 +HETATM 61934 O O . HOH WJ 41 . ? 14.007 39.426 -39.893 1.00 68.48 ? 794 HOH b O 1 +HETATM 61935 O O . HOH WJ 41 . ? 16.741 6.384 -44.659 1.00 67.90 ? 795 HOH b O 1 +HETATM 61936 O O . HOH WJ 41 . ? 43.040 6.403 -21.059 1.00 53.91 ? 796 HOH b O 1 +HETATM 61937 O O . HOH WJ 41 . ? 0.231 35.485 -25.337 1.00 81.49 ? 797 HOH b O 1 +HETATM 61938 O O . HOH WJ 41 . ? 48.043 -25.087 -6.175 1.00 60.79 ? 798 HOH b O 1 +HETATM 61939 O O . HOH WJ 41 . ? 57.677 -18.311 5.316 1.00 89.33 ? 799 HOH b O 1 +HETATM 61940 O O . HOH WJ 41 . ? 26.937 3.772 -28.442 1.00 44.62 ? 800 HOH b O 1 +HETATM 61941 O O . HOH WJ 41 . ? 16.732 6.207 -21.307 1.00 45.82 ? 801 HOH b O 1 +HETATM 61942 O O . HOH WJ 41 . ? 42.370 -11.707 -13.086 1.00 49.65 ? 802 HOH b O 1 +HETATM 61943 O O . HOH WJ 41 . ? 55.693 -11.485 6.116 1.00 61.51 ? 803 HOH b O 1 +HETATM 61944 O O . HOH WJ 41 . ? 10.472 27.461 -31.621 1.00 57.08 ? 804 HOH b O 1 +HETATM 61945 O O . HOH WJ 41 . ? 24.489 11.111 -22.609 1.00 45.95 ? 805 HOH b O 1 +HETATM 61946 O O . HOH WJ 41 . ? 58.251 -5.034 1.212 1.00 69.13 ? 806 HOH b O 1 +HETATM 61947 O O . HOH WJ 41 . ? 33.810 13.180 -37.922 1.00 57.49 ? 807 HOH b O 1 +HETATM 61948 O O . HOH WJ 41 . ? 19.379 3.050 -40.026 1.00 50.90 ? 808 HOH b O 1 +HETATM 61949 O O . HOH WJ 41 . ? 42.596 15.265 -31.836 1.00 76.05 ? 809 HOH b O 1 +HETATM 61950 O O . HOH WJ 41 . ? 33.787 18.221 -48.688 1.00 94.38 ? 810 HOH b O 1 +HETATM 61951 O O . HOH WJ 41 . ? 40.929 -20.855 4.247 1.00 74.16 ? 811 HOH b O 1 +HETATM 61952 O O . HOH WJ 41 . ? 5.486 26.722 -37.727 1.00 63.83 ? 812 HOH b O 1 +HETATM 61953 O O . HOH WJ 41 . ? 36.336 10.021 -36.336 1.00 52.89 ? 813 HOH b O 1 +HETATM 61954 O O . HOH WJ 41 . ? 35.311 15.567 -47.600 1.00 77.21 ? 814 HOH b O 1 +HETATM 61955 O O . HOH WJ 41 . ? 45.508 -24.737 3.414 1.00 72.51 ? 815 HOH b O 1 +HETATM 61956 O O . HOH WJ 41 . ? 61.672 -8.651 1.951 1.00 73.65 ? 816 HOH b O 1 +HETATM 61957 O O . HOH WJ 41 . ? 38.340 5.856 -36.803 1.00 63.57 ? 817 HOH b O 1 +HETATM 61958 O O . HOH WJ 41 . ? 24.472 29.302 -31.422 1.00 62.20 ? 818 HOH b O 1 +HETATM 61959 O O . HOH WJ 41 . ? 20.714 13.853 -23.176 1.00 54.22 ? 819 HOH b O 1 +HETATM 61960 O O . HOH WJ 41 . ? 31.531 29.281 -57.450 1.00 85.85 ? 820 HOH b O 1 +HETATM 61961 O O . HOH WJ 41 . ? 6.038 38.614 -45.754 1.00 81.01 ? 821 HOH b O 1 +HETATM 61962 O O . HOH WJ 41 . ? 17.277 17.361 -43.624 1.00 61.86 ? 822 HOH b O 1 +HETATM 61963 O O . HOH WJ 41 . ? 39.796 22.588 -45.224 1.00 92.42 ? 823 HOH b O 1 +HETATM 61964 O O . HOH WJ 41 . ? 34.853 10.479 -38.249 1.00 63.20 ? 824 HOH b O 1 +HETATM 61965 O O . HOH WJ 41 . ? 28.676 2.791 -43.886 1.00 65.27 ? 825 HOH b O 1 +HETATM 61966 O O . HOH WJ 41 . ? 46.276 7.363 -28.294 1.00 66.39 ? 826 HOH b O 1 +HETATM 61967 O O . HOH WJ 41 . ? 12.981 3.965 -39.041 1.00 80.63 ? 827 HOH b O 1 +HETATM 61968 O O . HOH WJ 41 . ? 31.598 19.871 -50.156 1.00 76.19 ? 828 HOH b O 1 +HETATM 61969 O O . HOH WJ 41 . ? 36.476 23.796 -53.069 1.00 91.25 ? 829 HOH b O 1 +HETATM 61970 O O . HOH WJ 41 . ? 35.176 -11.644 17.103 1.00 80.97 ? 830 HOH b O 1 +HETATM 61971 O O . HOH WJ 41 . ? 11.917 26.709 -52.540 1.00 89.69 ? 831 HOH b O 1 +HETATM 61972 O O . HOH WJ 41 . ? 10.911 7.053 -35.178 1.00 68.19 ? 832 HOH b O 1 +HETATM 61973 O O . HOH WJ 41 . ? 40.556 16.786 -30.848 1.00 66.61 ? 833 HOH b O 1 +HETATM 61974 O O . HOH WJ 41 . ? 25.910 0.594 -36.775 1.00 61.05 ? 834 HOH b O 1 +HETATM 61975 O O . HOH WJ 41 . ? 43.770 19.756 -39.090 1.00 76.39 ? 835 HOH b O 1 +HETATM 61976 O O . HOH WJ 41 . ? 28.398 24.631 -30.810 1.00 62.12 ? 836 HOH b O 1 +HETATM 61977 O O . HOH WJ 41 . ? 31.405 9.237 -46.843 1.00 78.46 ? 837 HOH b O 1 +HETATM 61978 O O . HOH WJ 41 . ? 29.537 31.759 -44.706 1.00 84.93 ? 838 HOH b O 1 +HETATM 61979 O O . HOH WJ 41 . ? 31.337 19.757 -31.593 1.00 55.46 ? 839 HOH b O 1 +HETATM 61980 O O . HOH WJ 41 . ? 6.174 41.659 -37.786 1.00 85.07 ? 840 HOH b O 1 +HETATM 61981 O O . HOH WJ 41 . ? 44.071 -13.894 7.372 1.00 90.88 ? 841 HOH b O 1 +HETATM 61982 O O A HOH WJ 41 . ? 29.590 -12.464 11.976 0.40 78.46 ? 842 HOH b O 1 +HETATM 61983 O O B HOH WJ 41 . ? 29.594 -12.120 12.019 0.60 81.81 ? 842 HOH b O 1 +HETATM 61984 O O . HOH WJ 41 . ? 26.347 25.167 -38.718 1.00 66.77 ? 843 HOH b O 1 +HETATM 61985 O O . HOH WJ 41 . ? 56.033 20.231 -26.651 1.00 93.29 ? 844 HOH b O 1 +HETATM 61986 O O . HOH WJ 41 . ? 9.951 3.041 -38.175 1.00 103.80 ? 845 HOH b O 1 +HETATM 61987 O O . HOH WJ 41 . ? 24.201 26.045 -36.733 1.00 69.35 ? 846 HOH b O 1 +HETATM 61988 O O . HOH WJ 41 . ? 23.566 28.715 -52.485 1.00 78.90 ? 847 HOH b O 1 +HETATM 61989 O O . HOH WJ 41 . ? 38.180 -25.532 -0.849 1.00 59.87 ? 848 HOH b O 1 +HETATM 61990 O O . HOH WJ 41 . ? 24.461 22.372 -21.815 1.00 53.15 ? 849 HOH b O 1 +HETATM 61991 O O . HOH WJ 41 . ? 16.686 40.485 -29.279 1.00 79.58 ? 850 HOH b O 1 +HETATM 61992 O O . HOH WJ 41 . ? 26.112 29.179 -34.285 1.00 83.24 ? 851 HOH b O 1 +HETATM 61993 O O . HOH WJ 41 . ? 22.944 29.264 -38.606 1.00 66.47 ? 852 HOH b O 1 +HETATM 61994 O O . HOH WJ 41 . ? -4.659 38.505 -33.080 1.00 82.45 ? 853 HOH b O 1 +HETATM 61995 O O . HOH WJ 41 . ? 42.890 -6.516 13.854 1.00 85.30 ? 854 HOH b O 1 +HETATM 61996 O O . HOH WJ 41 . ? 17.862 26.653 -56.042 1.00 82.39 ? 855 HOH b O 1 +HETATM 61997 O O . HOH WJ 41 . ? 56.062 -27.020 -3.784 1.00 66.19 ? 856 HOH b O 1 +HETATM 61998 O O . HOH WJ 41 . ? 24.015 24.518 -40.110 1.00 75.10 ? 857 HOH b O 1 +HETATM 61999 O O . HOH WJ 41 . ? 57.106 12.122 -31.329 1.00 81.48 ? 858 HOH b O 1 +HETATM 62000 O O . HOH WJ 41 . ? 23.539 27.245 -40.034 1.00 87.76 ? 859 HOH b O 1 +HETATM 62001 O O . HOH WJ 41 . ? 19.885 17.686 -54.743 1.00 84.43 ? 860 HOH b O 1 +HETATM 62002 O O . HOH WJ 41 . ? 11.175 23.072 -51.541 1.00 101.27 ? 861 HOH b O 1 +HETATM 62003 O O . HOH WJ 41 . ? 13.922 20.417 -30.421 1.00 51.09 ? 862 HOH b O 1 +HETATM 62004 O O . HOH WJ 41 . ? 61.102 7.541 -31.426 1.00 75.29 ? 863 HOH b O 1 +HETATM 62005 O O . HOH WJ 41 . ? 42.268 13.161 -30.982 1.00 60.51 ? 864 HOH b O 1 +HETATM 62006 O O . HOH WJ 41 . ? 24.663 29.844 -40.558 1.00 72.43 ? 865 HOH b O 1 +HETATM 62007 O O . HOH WJ 41 . ? 29.136 27.393 -38.715 1.00 74.66 ? 866 HOH b O 1 +HETATM 62008 O O . HOH WJ 41 . ? 31.072 -3.858 -25.634 1.00 45.19 ? 867 HOH b O 1 +HETATM 62009 O O . HOH WJ 41 . ? 21.284 16.668 -39.490 1.00 57.69 ? 868 HOH b O 1 +HETATM 62010 O O . HOH WJ 41 . ? 26.476 -0.184 -41.505 1.00 84.96 ? 869 HOH b O 1 +HETATM 62011 O O . HOH WJ 41 . ? 27.939 33.922 -45.135 1.00 109.93 ? 870 HOH b O 1 +HETATM 62012 O O . HOH WJ 41 . ? 16.385 0.777 -26.710 1.00 78.81 ? 871 HOH b O 1 +HETATM 62013 O O . HOH WJ 41 . ? 59.984 -1.561 -34.715 1.00 82.52 ? 872 HOH b O 1 +HETATM 62014 O O . HOH WJ 41 . ? 24.689 28.557 -36.181 1.00 80.59 ? 873 HOH b O 1 +HETATM 62015 O O . HOH WJ 41 . ? 42.028 -32.363 -4.970 1.00 73.45 ? 874 HOH b O 1 +HETATM 62016 O O . HOH WJ 41 . ? 38.112 4.165 -47.787 1.00 99.10 ? 875 HOH b O 1 +HETATM 62017 O O . HOH WJ 41 . ? 15.506 20.456 -54.807 1.00 113.15 ? 876 HOH b O 1 +HETATM 62018 O O . HOH WJ 41 . ? 44.497 19.238 -41.719 1.00 100.40 ? 877 HOH b O 1 +HETATM 62019 O O A HOH WJ 41 . ? 29.352 5.103 28.771 0.40 96.00 ? 878 HOH b O 1 +HETATM 62020 O O B HOH WJ 41 . ? 29.365 5.033 28.710 0.60 95.86 ? 878 HOH b O 1 +HETATM 62021 O O . HOH WJ 41 . ? -3.625 32.211 -34.246 1.00 75.31 ? 879 HOH b O 1 +HETATM 62022 O O . HOH WJ 41 . ? 38.530 7.415 -38.475 1.00 74.72 ? 880 HOH b O 1 +HETATM 62023 O O . HOH WJ 41 . ? 26.755 0.451 -39.237 1.00 75.90 ? 881 HOH b O 1 +HETATM 62024 O O . HOH WJ 41 . ? 49.856 -4.283 -38.656 1.00 91.56 ? 882 HOH b O 1 +HETATM 62025 O O . HOH WJ 41 . ? 16.812 24.614 -55.527 1.00 111.00 ? 883 HOH b O 1 +HETATM 62026 O O . HOH WJ 41 . ? 35.795 -25.635 -1.454 1.00 76.95 ? 884 HOH b O 1 +HETATM 62027 O O . HOH WJ 41 . ? 16.895 12.873 -28.303 1.00 62.63 ? 885 HOH b O 1 +HETATM 62028 O O . HOH WJ 41 . ? 12.496 36.534 -49.406 1.00 82.50 ? 886 HOH b O 1 +HETATM 62029 O O . HOH WJ 41 . ? 38.605 0.120 -46.191 1.00 93.30 ? 887 HOH b O 1 +HETATM 62030 O O . HOH WJ 41 . ? 47.739 12.848 -30.293 1.00 80.20 ? 888 HOH b O 1 +HETATM 62031 O O . HOH WJ 41 . ? 65.571 10.505 -25.464 1.00 92.08 ? 889 HOH b O 1 +HETATM 62032 O O . HOH WJ 41 . ? 44.407 23.354 -43.165 1.00 98.93 ? 890 HOH b O 1 +HETATM 62033 O O . HOH WJ 41 . ? 32.797 23.865 -21.858 1.00 90.72 ? 891 HOH b O 1 +HETATM 62034 O O . HOH WJ 41 . ? 29.841 -3.622 -46.049 1.00 94.72 ? 892 HOH b O 1 +HETATM 62035 O O . HOH WJ 41 . ? 56.038 -3.472 -35.178 1.00 90.41 ? 893 HOH b O 1 +HETATM 62036 O O . HOH WJ 41 . ? 31.912 24.435 -56.051 1.00 83.09 ? 894 HOH b O 1 +HETATM 62037 O O . HOH WJ 41 . ? 12.722 40.642 -28.611 1.00 105.37 ? 895 HOH b O 1 +HETATM 62038 O O . HOH WJ 41 . ? 10.759 4.034 -35.720 1.00 90.89 ? 896 HOH b O 1 +HETATM 62039 O O . HOH WJ 41 . ? 36.024 2.689 -40.290 1.00 58.12 ? 897 HOH b O 1 +HETATM 62040 O O . HOH WJ 41 . ? 24.447 31.860 -32.476 1.00 100.30 ? 898 HOH b O 1 +HETATM 62041 O O . HOH WJ 41 . ? 47.927 -24.788 1.909 1.00 67.50 ? 899 HOH b O 1 +HETATM 62042 O O . HOH WJ 41 . ? 1.949 35.637 -27.380 1.00 76.98 ? 900 HOH b O 1 +HETATM 62043 O O . HOH WJ 41 . ? 14.424 0.432 -28.516 1.00 86.07 ? 901 HOH b O 1 +HETATM 62044 O O A HOH XJ 41 . ? -2.748 36.326 -10.634 0.40 78.48 ? 601 HOH c O 1 +HETATM 62045 O O B HOH XJ 41 . ? -2.658 36.273 -10.673 0.60 78.76 ? 601 HOH c O 1 +HETATM 62046 O O A HOH XJ 41 . ? -13.127 23.862 -24.848 0.40 103.92 ? 602 HOH c O 1 +HETATM 62047 O O B HOH XJ 41 . ? -13.386 23.819 -24.843 0.60 105.96 ? 602 HOH c O 1 +HETATM 62048 O O A HOH XJ 41 . ? -18.788 17.141 -0.989 0.40 56.95 ? 603 HOH c O 1 +HETATM 62049 O O B HOH XJ 41 . ? -18.636 17.248 -0.879 0.60 56.35 ? 603 HOH c O 1 +HETATM 62050 O O . HOH XJ 41 . ? 1.386 -16.150 31.048 1.00 78.60 ? 604 HOH c O 1 +HETATM 62051 O O . HOH XJ 41 . ? -16.526 43.723 4.528 1.00 66.41 ? 605 HOH c O 1 +HETATM 62052 O O . HOH XJ 41 . ? -6.357 45.264 10.072 1.00 61.37 ? 606 HOH c O 1 +HETATM 62053 O O . HOH XJ 41 . ? -27.750 19.367 -6.060 1.00 100.24 ? 607 HOH c O 1 +HETATM 62054 O O . HOH XJ 41 . ? -26.282 21.196 -7.583 1.00 74.86 ? 608 HOH c O 1 +HETATM 62055 O O . HOH XJ 41 . ? 5.161 -14.295 32.315 1.00 94.90 ? 609 HOH c O 1 +HETATM 62056 O O . HOH XJ 41 . ? -31.660 18.142 -14.475 1.00 57.96 ? 610 HOH c O 1 +HETATM 62057 O O . HOH XJ 41 . ? -17.976 43.435 -0.726 1.00 96.23 ? 611 HOH c O 1 +HETATM 62058 O O A HOH XJ 41 . ? -19.980 22.313 -7.334 0.40 56.33 ? 612 HOH c O 1 +HETATM 62059 O O B HOH XJ 41 . ? -19.912 22.262 -7.320 0.60 56.35 ? 612 HOH c O 1 +HETATM 62060 O O . HOH XJ 41 . ? -7.330 47.597 8.588 1.00 80.24 ? 613 HOH c O 1 +HETATM 62061 O O . HOH XJ 41 . ? -20.340 34.245 10.856 1.00 61.50 ? 614 HOH c O 1 +HETATM 62062 O O . HOH XJ 41 . ? -6.098 42.765 1.726 1.00 75.02 ? 615 HOH c O 1 +HETATM 62063 O O . HOH XJ 41 . ? 6.715 18.916 46.444 1.00 75.84 ? 616 HOH c O 1 +HETATM 62064 O O . HOH XJ 41 . ? 13.095 37.488 8.819 1.00 64.78 ? 617 HOH c O 1 +HETATM 62065 O O . HOH XJ 41 . ? -11.533 15.682 39.814 1.00 74.46 ? 618 HOH c O 1 +HETATM 62066 O O A HOH XJ 41 . ? -23.555 27.979 -10.228 0.40 61.69 ? 619 HOH c O 1 +HETATM 62067 O O B HOH XJ 41 . ? -23.620 28.043 -10.170 0.60 61.91 ? 619 HOH c O 1 +HETATM 62068 O O A HOH XJ 41 . ? -9.509 20.635 -15.468 0.40 66.69 ? 620 HOH c O 1 +HETATM 62069 O O . HOH XJ 41 . ? -26.077 39.819 -0.632 1.00 71.17 ? 621 HOH c O 1 +HETATM 62070 O O . HOH XJ 41 . ? -34.245 36.463 2.281 1.00 81.22 ? 622 HOH c O 1 +HETATM 62071 O O . HOH XJ 41 . ? -24.589 39.908 -3.401 1.00 90.65 ? 623 HOH c O 1 +HETATM 62072 O O . HOH XJ 41 . ? -9.208 4.743 32.406 1.00 52.11 ? 624 HOH c O 1 +HETATM 62073 O O . HOH XJ 41 . ? 0.938 18.946 48.963 1.00 100.99 ? 625 HOH c O 1 +HETATM 62074 O O . HOH XJ 41 . ? -17.054 13.328 27.360 1.00 57.55 ? 626 HOH c O 1 +HETATM 62075 O O A HOH XJ 41 . ? 8.837 -12.620 27.037 0.40 65.34 ? 627 HOH c O 1 +HETATM 62076 O O B HOH XJ 41 . ? 9.045 -12.789 27.101 0.60 65.27 ? 627 HOH c O 1 +HETATM 62077 O O A HOH XJ 41 . ? -12.272 34.773 -0.083 0.40 59.21 ? 628 HOH c O 1 +HETATM 62078 O O B HOH XJ 41 . ? -12.270 34.851 0.007 0.60 59.49 ? 628 HOH c O 1 +HETATM 62079 O O . HOH XJ 41 . ? -1.111 11.208 40.871 1.00 85.20 ? 629 HOH c O 1 +HETATM 62080 O O . HOH XJ 41 . ? -30.019 39.944 -13.173 1.00 86.90 ? 630 HOH c O 1 +HETATM 62081 O O . HOH XJ 41 . ? -22.484 35.747 -1.876 1.00 59.20 ? 631 HOH c O 1 +HETATM 62082 O O . HOH XJ 41 . ? 5.107 45.280 -2.596 1.00 73.02 ? 632 HOH c O 1 +HETATM 62083 O O . HOH XJ 41 . ? -7.941 39.160 5.410 1.00 57.48 ? 633 HOH c O 1 +HETATM 62084 O O . HOH XJ 41 . ? -10.441 25.077 45.149 1.00 63.21 ? 634 HOH c O 1 +HETATM 62085 O O . HOH XJ 41 . ? -20.763 22.506 -24.283 1.00 49.27 ? 635 HOH c O 1 +HETATM 62086 O O . HOH XJ 41 . ? -12.719 28.203 -29.481 1.00 53.97 ? 636 HOH c O 1 +HETATM 62087 O O . HOH XJ 41 . ? -19.853 11.230 43.232 1.00 82.98 ? 637 HOH c O 1 +HETATM 62088 O O A HOH XJ 41 . ? -11.787 29.016 -11.856 0.40 57.85 ? 638 HOH c O 1 +HETATM 62089 O O B HOH XJ 41 . ? -11.515 28.915 -12.029 0.60 58.18 ? 638 HOH c O 1 +HETATM 62090 O O . HOH XJ 41 . ? -16.259 47.120 6.055 1.00 71.94 ? 639 HOH c O 1 +HETATM 62091 O O A HOH XJ 41 . ? -6.479 36.123 -4.008 0.40 66.11 ? 640 HOH c O 1 +HETATM 62092 O O B HOH XJ 41 . ? -6.469 36.201 -4.068 0.60 66.47 ? 640 HOH c O 1 +HETATM 62093 O O . HOH XJ 41 . ? -2.232 25.583 46.126 1.00 89.91 ? 641 HOH c O 1 +HETATM 62094 O O A HOH XJ 41 . ? -13.937 28.998 0.382 0.40 54.69 ? 642 HOH c O 1 +HETATM 62095 O O B HOH XJ 41 . ? -13.816 29.012 0.367 0.60 54.85 ? 642 HOH c O 1 +HETATM 62096 O O . HOH XJ 41 . ? -22.104 41.410 -21.132 1.00 65.93 ? 643 HOH c O 1 +HETATM 62097 O O . HOH XJ 41 . ? -22.906 35.487 1.035 1.00 57.88 ? 644 HOH c O 1 +HETATM 62098 O O A HOH XJ 41 . ? 4.962 31.688 -3.758 0.40 57.61 ? 645 HOH c O 1 +HETATM 62099 O O B HOH XJ 41 . ? 5.021 31.650 -3.696 0.60 57.91 ? 645 HOH c O 1 +HETATM 62100 O O . HOH XJ 41 . ? -11.090 15.239 44.315 1.00 73.18 ? 646 HOH c O 1 +HETATM 62101 O O . HOH XJ 41 . ? -13.639 45.732 -6.872 1.00 77.04 ? 647 HOH c O 1 +HETATM 62102 O O . HOH XJ 41 . ? -8.055 38.870 13.481 1.00 64.17 ? 648 HOH c O 1 +HETATM 62103 O O . HOH XJ 41 . ? -15.117 33.826 -27.666 1.00 53.60 ? 649 HOH c O 1 +HETATM 62104 O O . HOH XJ 41 . ? -20.162 28.925 -24.655 1.00 55.34 ? 650 HOH c O 1 +HETATM 62105 O O . HOH XJ 41 . ? -12.370 45.842 -2.450 1.00 69.28 ? 651 HOH c O 1 +HETATM 62106 O O . HOH XJ 41 . ? -27.305 27.118 -1.528 1.00 75.96 ? 652 HOH c O 1 +HETATM 62107 O O . HOH XJ 41 . ? -1.032 20.905 46.059 1.00 71.81 ? 653 HOH c O 1 +HETATM 62108 O O A HOH XJ 41 . ? -20.549 18.642 -17.070 0.40 50.97 ? 654 HOH c O 1 +HETATM 62109 O O B HOH XJ 41 . ? -20.520 18.779 -17.012 0.60 51.30 ? 654 HOH c O 1 +HETATM 62110 O O . HOH XJ 41 . ? 1.645 15.469 28.622 1.00 86.37 ? 655 HOH c O 1 +HETATM 62111 O O . HOH XJ 41 . ? -12.781 20.358 38.122 1.00 99.55 ? 656 HOH c O 1 +HETATM 62112 O O . HOH XJ 41 . ? -15.779 45.358 -8.638 1.00 60.70 ? 657 HOH c O 1 +HETATM 62113 O O . HOH XJ 41 . ? -5.026 13.185 41.005 1.00 78.35 ? 658 HOH c O 1 +HETATM 62114 O O A HOH XJ 41 . ? -7.252 40.826 -3.486 0.40 70.86 ? 659 HOH c O 1 +HETATM 62115 O O B HOH XJ 41 . ? -7.203 40.779 -3.516 0.60 70.97 ? 659 HOH c O 1 +HETATM 62116 O O . HOH XJ 41 . ? -29.792 39.341 -1.500 1.00 74.83 ? 660 HOH c O 1 +HETATM 62117 O O . HOH XJ 41 . ? -26.633 35.968 5.843 1.00 61.36 ? 661 HOH c O 1 +HETATM 62118 O O A HOH XJ 41 . ? -3.004 39.193 -6.019 0.40 76.80 ? 662 HOH c O 1 +HETATM 62119 O O B HOH XJ 41 . ? -3.062 39.148 -6.208 0.60 77.56 ? 662 HOH c O 1 +HETATM 62120 O O . HOH XJ 41 . ? 0.935 36.417 6.979 1.00 55.67 ? 663 HOH c O 1 +HETATM 62121 O O . HOH XJ 41 . ? 2.362 38.680 6.645 1.00 60.97 ? 664 HOH c O 1 +HETATM 62122 O O A HOH XJ 41 . ? 7.809 -12.569 30.572 0.40 70.87 ? 665 HOH c O 1 +HETATM 62123 O O B HOH XJ 41 . ? 7.976 -12.849 30.481 0.60 73.46 ? 665 HOH c O 1 +HETATM 62124 O O . HOH XJ 41 . ? -15.743 1.767 25.512 1.00 61.88 ? 666 HOH c O 1 +HETATM 62125 O O . HOH XJ 41 . ? 6.712 43.209 -6.547 1.00 68.93 ? 667 HOH c O 1 +HETATM 62126 O O . HOH XJ 41 . ? -16.865 41.978 -16.583 1.00 87.67 ? 668 HOH c O 1 +HETATM 62127 O O . HOH XJ 41 . ? -18.645 28.774 -31.766 1.00 54.55 ? 669 HOH c O 1 +HETATM 62128 O O A HOH XJ 41 . ? -19.597 27.890 -2.049 0.40 53.35 ? 670 HOH c O 1 +HETATM 62129 O O B HOH XJ 41 . ? -19.396 27.962 -2.055 0.60 53.06 ? 670 HOH c O 1 +HETATM 62130 O O A HOH XJ 41 . ? -6.450 39.903 -6.952 0.40 69.34 ? 671 HOH c O 1 +HETATM 62131 O O B HOH XJ 41 . ? -6.168 39.863 -7.065 0.60 71.26 ? 671 HOH c O 1 +HETATM 62132 O O . HOH XJ 41 . ? -19.169 30.686 13.320 1.00 61.65 ? 672 HOH c O 1 +HETATM 62133 O O . HOH XJ 41 . ? -15.005 1.210 33.247 1.00 74.31 ? 673 HOH c O 1 +HETATM 62134 O O A HOH XJ 41 . ? -22.387 27.610 -13.137 0.40 54.85 ? 674 HOH c O 1 +HETATM 62135 O O B HOH XJ 41 . ? -22.392 27.549 -13.171 0.60 54.96 ? 674 HOH c O 1 +HETATM 62136 O O . HOH XJ 41 . ? -32.295 33.763 4.323 1.00 68.16 ? 675 HOH c O 1 +HETATM 62137 O O . HOH XJ 41 . ? -5.775 0.076 25.135 1.00 54.13 ? 676 HOH c O 1 +HETATM 62138 O O . HOH XJ 41 . ? -36.528 32.343 -20.371 1.00 125.01 ? 677 HOH c O 1 +HETATM 62139 O O . HOH XJ 41 . ? -7.980 39.555 -23.275 1.00 67.96 ? 678 HOH c O 1 +HETATM 62140 O O . HOH XJ 41 . ? 1.727 -23.690 21.493 1.00 86.07 ? 679 HOH c O 1 +HETATM 62141 O O . HOH XJ 41 . ? 12.355 38.458 3.987 1.00 56.73 ? 680 HOH c O 1 +HETATM 62142 O O A HOH XJ 41 . ? -13.880 28.267 -15.724 0.40 51.10 ? 681 HOH c O 1 +HETATM 62143 O O B HOH XJ 41 . ? -13.874 28.226 -15.648 0.60 51.19 ? 681 HOH c O 1 +HETATM 62144 O O . HOH XJ 41 . ? -22.947 26.527 -25.037 1.00 52.46 ? 682 HOH c O 1 +HETATM 62145 O O . HOH XJ 41 . ? 1.660 -19.665 9.812 1.00 54.56 ? 683 HOH c O 1 +HETATM 62146 O O . HOH XJ 41 . ? -28.445 9.645 33.161 1.00 80.00 ? 684 HOH c O 1 +HETATM 62147 O O A HOH XJ 41 . ? -16.142 24.142 -20.756 0.40 51.77 ? 685 HOH c O 1 +HETATM 62148 O O B HOH XJ 41 . ? -16.225 24.194 -20.907 0.60 51.66 ? 685 HOH c O 1 +HETATM 62149 O O . HOH XJ 41 . ? 8.942 15.238 36.983 1.00 70.25 ? 686 HOH c O 1 +HETATM 62150 O O . HOH XJ 41 . ? -13.052 39.639 7.398 1.00 83.62 ? 687 HOH c O 1 +HETATM 62151 O O . HOH XJ 41 . ? -6.579 24.546 45.401 1.00 75.22 ? 688 HOH c O 1 +HETATM 62152 O O A HOH XJ 41 . ? -20.259 25.520 -3.165 0.40 59.03 ? 689 HOH c O 1 +HETATM 62153 O O B HOH XJ 41 . ? -20.158 25.494 -3.254 0.60 59.13 ? 689 HOH c O 1 +HETATM 62154 O O . HOH XJ 41 . ? -24.649 12.020 -3.066 1.00 60.15 ? 690 HOH c O 1 +HETATM 62155 O O . HOH XJ 41 . ? -0.310 46.066 6.458 1.00 88.61 ? 691 HOH c O 1 +HETATM 62156 O O . HOH XJ 41 . ? -22.172 34.676 13.732 1.00 64.07 ? 692 HOH c O 1 +HETATM 62157 O O A HOH XJ 41 . ? 0.843 34.512 -3.462 0.40 51.18 ? 693 HOH c O 1 +HETATM 62158 O O B HOH XJ 41 . ? 0.869 34.397 -3.484 0.60 51.11 ? 693 HOH c O 1 +HETATM 62159 O O . HOH XJ 41 . ? 4.746 -19.666 16.462 1.00 67.10 ? 694 HOH c O 1 +HETATM 62160 O O . HOH XJ 41 . ? -18.294 48.650 -19.850 1.00 89.87 ? 695 HOH c O 1 +HETATM 62161 O O . HOH XJ 41 . ? -27.214 26.065 -13.294 1.00 64.07 ? 696 HOH c O 1 +HETATM 62162 O O A HOH XJ 41 . ? -13.239 30.401 -13.698 0.40 50.46 ? 697 HOH c O 1 +HETATM 62163 O O B HOH XJ 41 . ? -13.338 30.300 -13.633 0.60 50.58 ? 697 HOH c O 1 +HETATM 62164 O O A HOH XJ 41 . ? -20.077 25.751 -13.658 0.40 51.63 ? 698 HOH c O 1 +HETATM 62165 O O B HOH XJ 41 . ? -20.088 25.727 -13.556 0.60 51.61 ? 698 HOH c O 1 +HETATM 62166 O O . HOH XJ 41 . ? -22.639 38.250 -1.825 1.00 70.45 ? 699 HOH c O 1 +HETATM 62167 O O A HOH XJ 41 . ? 0.050 40.257 -4.846 0.40 56.17 ? 700 HOH c O 1 +HETATM 62168 O O B HOH XJ 41 . ? 0.056 40.195 -4.972 0.60 56.23 ? 700 HOH c O 1 +HETATM 62169 O O . HOH XJ 41 . ? -5.735 46.637 6.522 1.00 79.27 ? 701 HOH c O 1 +HETATM 62170 O O . HOH XJ 41 . ? -25.984 22.188 -2.604 1.00 83.70 ? 702 HOH c O 1 +HETATM 62171 O O . HOH XJ 41 . ? 0.434 -1.597 34.103 1.00 69.47 ? 703 HOH c O 1 +HETATM 62172 O O . HOH XJ 41 . ? -8.774 8.455 34.525 1.00 56.79 ? 704 HOH c O 1 +HETATM 62173 O O . HOH XJ 41 . ? -17.320 41.366 -13.762 1.00 66.87 ? 705 HOH c O 1 +HETATM 62174 O O . HOH XJ 41 . ? -38.855 38.568 7.499 1.00 97.55 ? 706 HOH c O 1 +HETATM 62175 O O . HOH XJ 41 . ? -32.606 20.423 1.915 1.00 96.07 ? 707 HOH c O 1 +HETATM 62176 O O A HOH XJ 41 . ? -18.511 21.056 -4.369 0.40 71.46 ? 708 HOH c O 1 +HETATM 62177 O O B HOH XJ 41 . ? -18.428 21.164 -4.367 0.60 71.78 ? 708 HOH c O 1 +HETATM 62178 O O . HOH XJ 41 . ? -12.128 25.858 30.135 1.00 63.51 ? 709 HOH c O 1 +HETATM 62179 O O . HOH XJ 41 . ? -7.307 6.375 32.924 1.00 67.34 ? 710 HOH c O 1 +HETATM 62180 O O . HOH XJ 41 . ? -23.213 1.926 37.875 1.00 105.61 ? 711 HOH c O 1 +HETATM 62181 O O . HOH XJ 41 . ? -24.565 36.496 -26.120 1.00 65.48 ? 712 HOH c O 1 +HETATM 62182 O O . HOH XJ 41 . ? -1.122 46.214 4.028 1.00 78.04 ? 713 HOH c O 1 +HETATM 62183 O O . HOH XJ 41 . ? 0.889 47.570 2.180 1.00 90.11 ? 714 HOH c O 1 +HETATM 62184 O O A HOH XJ 41 . ? -0.160 31.829 -3.046 0.40 59.24 ? 715 HOH c O 1 +HETATM 62185 O O B HOH XJ 41 . ? -0.193 31.812 -3.098 0.60 59.46 ? 715 HOH c O 1 +HETATM 62186 O O . HOH XJ 41 . ? -25.914 16.340 -10.900 1.00 63.50 ? 716 HOH c O 1 +HETATM 62187 O O . HOH XJ 41 . ? -10.930 8.036 36.839 1.00 57.74 ? 717 HOH c O 1 +HETATM 62188 O O . HOH XJ 41 . ? 3.291 -11.417 38.962 1.00 106.65 ? 718 HOH c O 1 +HETATM 62189 O O . HOH XJ 41 . ? -27.418 41.413 -19.865 1.00 72.46 ? 719 HOH c O 1 +HETATM 62190 O O . HOH XJ 41 . ? -15.997 44.722 -22.795 1.00 62.81 ? 720 HOH c O 1 +HETATM 62191 O O . HOH XJ 41 . ? -23.514 39.946 -27.831 1.00 83.19 ? 721 HOH c O 1 +HETATM 62192 O O . HOH XJ 41 . ? -27.743 24.800 -1.029 1.00 89.05 ? 722 HOH c O 1 +HETATM 62193 O O . HOH XJ 41 . ? -20.551 31.854 -31.391 1.00 86.38 ? 723 HOH c O 1 +HETATM 62194 O O . HOH XJ 41 . ? -37.136 42.647 9.112 1.00 84.75 ? 724 HOH c O 1 +HETATM 62195 O O . HOH XJ 41 . ? -26.702 48.116 -10.590 1.00 72.25 ? 725 HOH c O 1 +HETATM 62196 O O . HOH XJ 41 . ? 5.319 14.535 49.703 1.00 78.14 ? 726 HOH c O 1 +HETATM 62197 O O . HOH XJ 41 . ? -33.326 28.012 -17.661 1.00 81.84 ? 727 HOH c O 1 +HETATM 62198 O O . HOH XJ 41 . ? -37.845 26.099 4.574 1.00 93.63 ? 728 HOH c O 1 +HETATM 62199 O O . HOH XJ 41 . ? -6.952 36.865 15.105 1.00 55.98 ? 729 HOH c O 1 +HETATM 62200 O O A HOH XJ 41 . ? -14.165 25.080 -23.699 0.40 61.07 ? 730 HOH c O 1 +HETATM 62201 O O B HOH XJ 41 . ? -14.348 25.255 -23.917 0.60 61.19 ? 730 HOH c O 1 +HETATM 62202 O O . HOH XJ 41 . ? -12.553 13.772 41.879 1.00 76.33 ? 731 HOH c O 1 +HETATM 62203 O O . HOH XJ 41 . ? 3.339 -17.739 17.389 1.00 60.21 ? 732 HOH c O 1 +HETATM 62204 O O . HOH XJ 41 . ? -26.779 23.304 -4.555 1.00 89.28 ? 733 HOH c O 1 +HETATM 62205 O O . HOH XJ 41 . ? -20.500 55.167 18.206 1.00 109.40 ? 734 HOH c O 1 +HETATM 62206 O O A HOH XJ 41 . ? 10.509 -11.338 31.017 0.40 74.95 ? 735 HOH c O 1 +HETATM 62207 O O B HOH XJ 41 . ? 10.551 -11.430 30.978 0.60 75.06 ? 735 HOH c O 1 +HETATM 62208 O O . HOH XJ 41 . ? -26.156 41.853 -25.031 1.00 102.22 ? 736 HOH c O 1 +HETATM 62209 O O . HOH XJ 41 . ? -24.142 32.565 -33.485 1.00 74.47 ? 737 HOH c O 1 +HETATM 62210 O O . HOH XJ 41 . ? -17.536 -4.936 29.561 1.00 90.03 ? 738 HOH c O 1 +HETATM 62211 O O . HOH XJ 41 . ? -11.473 5.426 37.270 1.00 86.92 ? 739 HOH c O 1 +HETATM 62212 O O . HOH XJ 41 . ? -22.053 3.903 39.252 1.00 95.76 ? 740 HOH c O 1 +HETATM 62213 O O . HOH XJ 41 . ? -12.670 11.135 41.504 1.00 84.57 ? 741 HOH c O 1 +HETATM 62214 O O . HOH XJ 41 . ? -15.340 46.425 -16.597 1.00 83.68 ? 742 HOH c O 1 +HETATM 62215 O O . HOH XJ 41 . ? 2.991 -18.164 22.311 1.00 81.68 ? 743 HOH c O 1 +HETATM 62216 O O . HOH XJ 41 . ? -26.581 47.803 15.803 1.00 96.69 ? 744 HOH c O 1 +HETATM 62217 O O . HOH XJ 41 . ? -1.392 -14.338 31.587 1.00 89.28 ? 745 HOH c O 1 +HETATM 62218 O O . HOH XJ 41 . ? -29.220 12.530 -0.186 1.00 85.32 ? 746 HOH c O 1 +HETATM 62219 O O A HOH XJ 41 . ? -5.135 38.783 -4.347 0.40 60.14 ? 747 HOH c O 1 +HETATM 62220 O O B HOH XJ 41 . ? -5.081 38.880 -4.373 0.60 60.29 ? 747 HOH c O 1 +HETATM 62221 O O . HOH XJ 41 . ? -30.906 -1.798 32.769 1.00 91.42 ? 748 HOH c O 1 +HETATM 62222 O O . HOH XJ 41 . ? -16.604 45.507 -20.012 1.00 94.78 ? 749 HOH c O 1 +HETATM 62223 O O . HOH XJ 41 . ? -34.223 28.172 -20.027 1.00 93.07 ? 750 HOH c O 1 +HETATM 62224 O O . HOH XJ 41 . ? -21.312 32.585 12.483 1.00 89.01 ? 751 HOH c O 1 +HETATM 62225 O O A HOH XJ 41 . ? -13.511 23.186 -21.285 0.40 67.36 ? 752 HOH c O 1 +HETATM 62226 O O B HOH XJ 41 . ? -13.703 23.147 -21.518 0.60 68.25 ? 752 HOH c O 1 +HETATM 62227 O O . HOH XJ 41 . ? -15.634 43.668 -14.699 1.00 79.44 ? 753 HOH c O 1 +HETATM 62228 O O . HOH XJ 41 . ? -12.259 47.544 -5.250 1.00 73.79 ? 754 HOH c O 1 +HETATM 62229 O O . HOH XJ 41 . ? -33.868 19.537 3.621 1.00 101.71 ? 755 HOH c O 1 +HETATM 62230 O O . HOH XJ 41 . ? -26.747 17.955 -7.939 1.00 78.22 ? 756 HOH c O 1 +HETATM 62231 O O . HOH XJ 41 . ? -24.435 42.949 -23.391 1.00 87.18 ? 757 HOH c O 1 +HETATM 62232 O O A HOH XJ 41 . ? -19.187 23.757 -5.087 0.40 58.35 ? 758 HOH c O 1 +HETATM 62233 O O B HOH XJ 41 . ? -19.233 23.849 -5.281 0.60 58.76 ? 758 HOH c O 1 +HETATM 62234 O O A HOH XJ 41 . ? 14.205 -5.959 35.678 0.40 93.76 ? 759 HOH c O 1 +HETATM 62235 O O B HOH XJ 41 . ? 14.276 -5.948 35.760 0.60 93.96 ? 759 HOH c O 1 +HETATM 62236 O O . HOH XJ 41 . ? -13.931 47.799 -2.110 1.00 83.28 ? 760 HOH c O 1 +HETATM 62237 O O . HOH YJ 41 . ? 32.743 33.374 -10.679 1.00 104.03 ? 501 HOH d O 1 +HETATM 62238 O O . HOH YJ 41 . ? 57.902 6.495 19.385 1.00 76.57 ? 502 HOH d O 1 +HETATM 62239 O O . HOH YJ 41 . ? 26.126 25.905 -23.602 1.00 63.95 ? 503 HOH d O 1 +HETATM 62240 O O . HOH YJ 41 . ? 28.670 33.153 -6.518 1.00 59.03 ? 504 HOH d O 1 +HETATM 62241 O O . HOH YJ 41 . ? 25.189 26.665 -19.784 1.00 62.39 ? 505 HOH d O 1 +HETATM 62242 O O . HOH YJ 41 . ? 38.247 13.263 15.702 1.00 63.41 ? 506 HOH d O 1 +HETATM 62243 O O . HOH YJ 41 . ? 21.147 33.034 -12.078 1.00 72.60 ? 507 HOH d O 1 +HETATM 62244 O O . HOH YJ 41 . ? 10.455 16.980 -23.283 1.00 47.64 ? 508 HOH d O 1 +HETATM 62245 O O . HOH YJ 41 . ? 41.679 32.014 -8.035 1.00 57.00 ? 509 HOH d O 1 +HETATM 62246 O O A HOH YJ 41 . ? 13.840 -11.755 23.545 0.40 59.44 ? 510 HOH d O 1 +HETATM 62247 O O B HOH YJ 41 . ? 13.884 -11.742 23.642 0.60 59.46 ? 510 HOH d O 1 +HETATM 62248 O O . HOH YJ 41 . ? 3.574 31.375 -26.794 1.00 60.87 ? 511 HOH d O 1 +HETATM 62249 O O . HOH YJ 41 . ? 12.400 39.290 -15.206 1.00 133.69 ? 512 HOH d O 1 +HETATM 62250 O O A HOH YJ 41 . ? 13.458 -2.308 32.065 0.40 57.50 ? 513 HOH d O 1 +HETATM 62251 O O B HOH YJ 41 . ? 13.700 -2.198 32.053 0.60 56.74 ? 513 HOH d O 1 +HETATM 62252 O O . HOH YJ 41 . ? 26.749 34.166 -0.540 1.00 61.49 ? 514 HOH d O 1 +HETATM 62253 O O . HOH YJ 41 . ? 41.119 13.328 22.901 1.00 64.35 ? 515 HOH d O 1 +HETATM 62254 O O . HOH YJ 41 . ? 30.356 -10.921 5.983 1.00 50.86 ? 516 HOH d O 1 +HETATM 62255 O O A HOH YJ 41 . ? 23.745 -8.769 12.375 0.40 73.11 ? 517 HOH d O 1 +HETATM 62256 O O B HOH YJ 41 . ? 23.731 -8.779 12.347 0.60 73.27 ? 517 HOH d O 1 +HETATM 62257 O O . HOH YJ 41 . ? -10.125 11.193 -28.244 1.00 90.49 ? 518 HOH d O 1 +HETATM 62258 O O . HOH YJ 41 . ? 11.372 9.271 -8.415 1.00 44.97 ? 519 HOH d O 1 +HETATM 62259 O O . HOH YJ 41 . ? 22.825 25.007 -21.128 1.00 64.06 ? 520 HOH d O 1 +HETATM 62260 O O . HOH YJ 41 . ? 13.928 5.801 -19.610 1.00 52.65 ? 521 HOH d O 1 +HETATM 62261 O O . HOH YJ 41 . ? 21.337 28.662 -11.881 1.00 58.39 ? 522 HOH d O 1 +HETATM 62262 O O A HOH YJ 41 . ? 22.636 -6.505 13.949 0.40 64.64 ? 523 HOH d O 1 +HETATM 62263 O O B HOH YJ 41 . ? 22.612 -6.512 13.998 0.60 64.87 ? 523 HOH d O 1 +HETATM 62264 O O . HOH YJ 41 . ? 19.077 34.203 -3.387 1.00 53.09 ? 524 HOH d O 1 +HETATM 62265 O O . HOH YJ 41 . ? 36.388 11.381 25.156 1.00 83.00 ? 525 HOH d O 1 +HETATM 62266 O O . HOH YJ 41 . ? 41.293 36.915 -13.132 1.00 80.60 ? 526 HOH d O 1 +HETATM 62267 O O A HOH YJ 41 . ? 10.413 -11.753 24.878 0.40 68.21 ? 527 HOH d O 1 +HETATM 62268 O O B HOH YJ 41 . ? 10.391 -11.612 24.981 0.60 68.00 ? 527 HOH d O 1 +HETATM 62269 O O . HOH YJ 41 . ? 1.629 5.064 32.175 1.00 58.54 ? 528 HOH d O 1 +HETATM 62270 O O . HOH YJ 41 . ? 29.851 35.315 -5.182 1.00 63.41 ? 529 HOH d O 1 +HETATM 62271 O O . HOH YJ 41 . ? 1.747 39.144 -23.758 1.00 90.01 ? 530 HOH d O 1 +HETATM 62272 O O . HOH YJ 41 . ? 48.372 31.896 -9.078 1.00 88.90 ? 531 HOH d O 1 +HETATM 62273 O O . HOH YJ 41 . ? 14.490 36.839 -0.383 1.00 54.42 ? 532 HOH d O 1 +HETATM 62274 O O . HOH YJ 41 . ? 29.258 37.443 -7.216 1.00 60.31 ? 533 HOH d O 1 +HETATM 62275 O O . HOH YJ 41 . ? 32.381 33.332 -3.040 1.00 59.88 ? 534 HOH d O 1 +HETATM 62276 O O . HOH YJ 41 . ? -5.737 15.137 -30.067 1.00 59.61 ? 535 HOH d O 1 +HETATM 62277 O O . HOH YJ 41 . ? 16.432 9.025 -21.921 1.00 44.80 ? 536 HOH d O 1 +HETATM 62278 O O . HOH YJ 41 . ? 24.597 19.444 -20.194 1.00 52.07 ? 537 HOH d O 1 +HETATM 62279 O O . HOH YJ 41 . ? 23.436 26.188 -8.046 1.00 47.51 ? 538 HOH d O 1 +HETATM 62280 O O . HOH YJ 41 . ? 19.529 29.125 2.918 1.00 54.12 ? 539 HOH d O 1 +HETATM 62281 O O . HOH YJ 41 . ? 12.724 11.531 -26.685 1.00 50.47 ? 540 HOH d O 1 +HETATM 62282 O O . HOH YJ 41 . ? 30.525 45.286 -5.489 1.00 70.71 ? 541 HOH d O 1 +HETATM 62283 O O A HOH YJ 41 . ? 16.798 -9.775 24.024 0.40 74.17 ? 542 HOH d O 1 +HETATM 62284 O O B HOH YJ 41 . ? 17.000 -9.477 24.080 0.60 73.85 ? 542 HOH d O 1 +HETATM 62285 O O A HOH YJ 41 . ? 0.132 14.515 -22.661 0.40 44.34 ? 543 HOH d O 1 +HETATM 62286 O O B HOH YJ 41 . ? 0.152 14.577 -22.606 0.60 44.23 ? 543 HOH d O 1 +HETATM 62287 O O . HOH YJ 41 . ? 22.847 31.677 7.321 1.00 52.78 ? 544 HOH d O 1 +HETATM 62288 O O . HOH YJ 41 . ? 14.859 5.618 -23.256 1.00 45.33 ? 545 HOH d O 1 +HETATM 62289 O O A HOH YJ 41 . ? 35.376 -5.511 22.547 0.40 80.57 ? 546 HOH d O 1 +HETATM 62290 O O B HOH YJ 41 . ? 35.408 -5.505 22.612 0.60 80.61 ? 546 HOH d O 1 +HETATM 62291 O O A HOH YJ 41 . ? -1.490 28.388 -26.287 0.40 51.95 ? 547 HOH d O 1 +HETATM 62292 O O B HOH YJ 41 . ? -1.534 28.410 -26.291 0.60 52.04 ? 547 HOH d O 1 +HETATM 62293 O O . HOH YJ 41 . ? 13.922 38.814 1.425 1.00 59.71 ? 548 HOH d O 1 +HETATM 62294 O O . HOH YJ 41 . ? 42.649 28.360 -8.970 1.00 56.51 ? 549 HOH d O 1 +HETATM 62295 O O . HOH YJ 41 . ? 40.149 -2.189 21.184 1.00 75.14 ? 550 HOH d O 1 +HETATM 62296 O O . HOH YJ 41 . ? 6.346 11.564 -29.366 1.00 50.20 ? 551 HOH d O 1 +HETATM 62297 O O A HOH YJ 41 . ? -2.388 34.249 -21.813 0.40 55.09 ? 552 HOH d O 1 +HETATM 62298 O O B HOH YJ 41 . ? -2.264 34.273 -21.880 0.60 54.95 ? 552 HOH d O 1 +HETATM 62299 O O A HOH YJ 41 . ? 8.554 11.875 -14.404 0.40 49.39 ? 553 HOH d O 1 +HETATM 62300 O O B HOH YJ 41 . ? 8.403 11.897 -14.470 0.60 49.17 ? 553 HOH d O 1 +HETATM 62301 O O . HOH YJ 41 . ? 6.912 37.380 -29.551 1.00 61.72 ? 554 HOH d O 1 +HETATM 62302 O O . HOH YJ 41 . ? 6.441 -6.902 35.673 1.00 68.02 ? 555 HOH d O 1 +HETATM 62303 O O . HOH YJ 41 . ? 27.394 33.325 -3.192 1.00 54.31 ? 556 HOH d O 1 +HETATM 62304 O O . HOH YJ 41 . ? 20.279 33.400 -20.386 1.00 56.73 ? 557 HOH d O 1 +HETATM 62305 O O . HOH YJ 41 . ? 44.531 6.326 16.097 1.00 79.73 ? 558 HOH d O 1 +HETATM 62306 O O A HOH YJ 41 . ? 9.270 4.756 28.099 0.40 51.72 ? 559 HOH d O 1 +HETATM 62307 O O B HOH YJ 41 . ? 9.287 4.704 28.024 0.60 51.52 ? 559 HOH d O 1 +HETATM 62308 O O A HOH YJ 41 . ? 0.488 18.101 -18.910 0.40 52.38 ? 560 HOH d O 1 +HETATM 62309 O O B HOH YJ 41 . ? 0.576 17.949 -18.877 0.60 52.98 ? 560 HOH d O 1 +HETATM 62310 O O . HOH YJ 41 . ? 21.263 25.061 -6.866 1.00 52.14 ? 561 HOH d O 1 +HETATM 62311 O O A HOH YJ 41 . ? 5.263 -14.622 19.545 0.40 58.41 ? 562 HOH d O 1 +HETATM 62312 O O B HOH YJ 41 . ? 5.244 -14.803 19.407 0.60 59.06 ? 562 HOH d O 1 +HETATM 62313 O O A HOH YJ 41 . ? -3.348 34.128 -17.917 0.40 63.49 ? 563 HOH d O 1 +HETATM 62314 O O B HOH YJ 41 . ? -3.168 34.199 -17.942 0.60 63.99 ? 563 HOH d O 1 +HETATM 62315 O O A HOH YJ 41 . ? 4.593 15.036 -24.075 0.40 49.22 ? 564 HOH d O 1 +HETATM 62316 O O B HOH YJ 41 . ? 4.616 15.086 -24.124 0.60 49.35 ? 564 HOH d O 1 +HETATM 62317 O O . HOH YJ 41 . ? 23.310 27.484 -10.662 1.00 59.30 ? 565 HOH d O 1 +HETATM 62318 O O . HOH YJ 41 . ? 22.282 21.603 -12.692 1.00 71.69 ? 566 HOH d O 1 +HETATM 62319 O O . HOH YJ 41 . ? 32.313 27.304 -12.297 1.00 54.09 ? 567 HOH d O 1 +HETATM 62320 O O . HOH YJ 41 . ? 4.698 10.804 33.496 1.00 67.75 ? 568 HOH d O 1 +HETATM 62321 O O . HOH YJ 41 . ? 18.918 29.873 -1.075 1.00 50.83 ? 569 HOH d O 1 +HETATM 62322 O O . HOH YJ 41 . ? 26.610 21.680 -18.434 1.00 49.67 ? 570 HOH d O 1 +HETATM 62323 O O . HOH YJ 41 . ? 17.660 26.316 -16.325 1.00 51.08 ? 571 HOH d O 1 +HETATM 62324 O O A HOH YJ 41 . ? 3.926 -15.473 16.029 0.40 57.59 ? 572 HOH d O 1 +HETATM 62325 O O B HOH YJ 41 . ? 4.143 -15.532 15.895 0.60 57.32 ? 572 HOH d O 1 +HETATM 62326 O O A HOH YJ 41 . ? 5.535 7.236 -7.675 0.40 44.10 ? 573 HOH d O 1 +HETATM 62327 O O B HOH YJ 41 . ? 5.515 7.354 -7.634 0.60 43.97 ? 573 HOH d O 1 +HETATM 62328 O O A HOH YJ 41 . ? 8.792 -14.288 12.710 0.40 51.30 ? 574 HOH d O 1 +HETATM 62329 O O B HOH YJ 41 . ? 8.639 -14.179 12.779 0.60 50.97 ? 574 HOH d O 1 +HETATM 62330 O O A HOH YJ 41 . ? 6.376 10.570 -15.581 0.40 47.31 ? 575 HOH d O 1 +HETATM 62331 O O B HOH YJ 41 . ? 6.492 10.485 -15.533 0.60 47.37 ? 575 HOH d O 1 +HETATM 62332 O O A HOH YJ 41 . ? -4.063 16.165 -20.022 0.40 56.98 ? 576 HOH d O 1 +HETATM 62333 O O B HOH YJ 41 . ? -4.122 16.092 -19.934 0.60 57.21 ? 576 HOH d O 1 +HETATM 62334 O O . HOH YJ 41 . ? 8.688 26.534 -28.694 1.00 74.36 ? 577 HOH d O 1 +HETATM 62335 O O A HOH YJ 41 . ? 26.438 -8.426 12.003 0.40 73.34 ? 578 HOH d O 1 +HETATM 62336 O O B HOH YJ 41 . ? 26.495 -8.418 12.070 0.60 73.38 ? 578 HOH d O 1 +HETATM 62337 O O . HOH YJ 41 . ? -0.202 11.967 -28.994 1.00 55.38 ? 579 HOH d O 1 +HETATM 62338 O O . HOH YJ 41 . ? 29.804 32.199 -3.673 1.00 53.97 ? 580 HOH d O 1 +HETATM 62339 O O . HOH YJ 41 . ? 16.399 10.492 -15.327 1.00 46.00 ? 581 HOH d O 1 +HETATM 62340 O O . HOH YJ 41 . ? 2.760 34.093 -24.960 1.00 68.84 ? 582 HOH d O 1 +HETATM 62341 O O . HOH YJ 41 . ? 21.014 8.111 -14.391 1.00 46.86 ? 583 HOH d O 1 +HETATM 62342 O O A HOH YJ 41 . ? 11.488 -11.893 28.324 0.40 91.35 ? 584 HOH d O 1 +HETATM 62343 O O B HOH YJ 41 . ? 11.461 -12.171 28.270 0.60 92.87 ? 584 HOH d O 1 +HETATM 62344 O O A HOH YJ 41 . ? 1.410 -10.300 26.284 0.40 53.63 ? 585 HOH d O 1 +HETATM 62345 O O B HOH YJ 41 . ? 1.416 -10.359 26.169 0.60 53.58 ? 585 HOH d O 1 +HETATM 62346 O O . HOH YJ 41 . ? 5.528 17.258 -25.618 1.00 52.44 ? 586 HOH d O 1 +HETATM 62347 O O . HOH YJ 41 . ? -5.486 8.444 -24.418 1.00 48.50 ? 587 HOH d O 1 +HETATM 62348 O O . HOH YJ 41 . ? 11.571 32.339 -20.158 1.00 58.87 ? 588 HOH d O 1 +HETATM 62349 O O A HOH YJ 41 . ? 30.608 1.828 15.135 0.40 61.16 ? 589 HOH d O 1 +HETATM 62350 O O B HOH YJ 41 . ? 30.655 1.686 15.374 0.60 61.87 ? 589 HOH d O 1 +HETATM 62351 O O A HOH YJ 41 . ? 6.628 2.149 35.081 0.40 65.85 ? 590 HOH d O 1 +HETATM 62352 O O B HOH YJ 41 . ? 6.817 2.289 35.130 0.60 67.04 ? 590 HOH d O 1 +HETATM 62353 O O . HOH YJ 41 . ? 10.932 12.598 -24.842 1.00 49.57 ? 591 HOH d O 1 +HETATM 62354 O O . HOH YJ 41 . ? 13.972 35.544 -22.644 1.00 73.47 ? 592 HOH d O 1 +HETATM 62355 O O . HOH YJ 41 . ? 3.210 -16.419 20.066 1.00 68.10 ? 593 HOH d O 1 +HETATM 62356 O O A HOH YJ 41 . ? 17.469 -16.615 13.606 0.40 84.96 ? 594 HOH d O 1 +HETATM 62357 O O B HOH YJ 41 . ? 17.187 -16.819 13.364 0.60 86.50 ? 594 HOH d O 1 +HETATM 62358 O O . HOH YJ 41 . ? 10.776 23.524 -28.736 1.00 94.57 ? 595 HOH d O 1 +HETATM 62359 O O A HOH YJ 41 . ? -10.491 29.637 -25.619 0.40 59.22 ? 596 HOH d O 1 +HETATM 62360 O O B HOH YJ 41 . ? -10.797 29.501 -25.444 0.60 60.90 ? 596 HOH d O 1 +HETATM 62361 O O . HOH YJ 41 . ? -5.809 6.045 -29.006 1.00 73.85 ? 597 HOH d O 1 +HETATM 62362 O O . HOH YJ 41 . ? 16.578 23.067 1.008 1.00 49.28 ? 598 HOH d O 1 +HETATM 62363 O O A HOH YJ 41 . ? 3.679 -2.850 26.878 0.40 52.05 ? 599 HOH d O 1 +HETATM 62364 O O B HOH YJ 41 . ? 3.560 -2.862 26.923 0.60 52.12 ? 599 HOH d O 1 +HETATM 62365 O O A HOH YJ 41 . ? 7.687 11.692 -17.861 0.40 48.91 ? 600 HOH d O 1 +HETATM 62366 O O B HOH YJ 41 . ? 7.598 11.635 -17.844 0.60 49.06 ? 600 HOH d O 1 +HETATM 62367 O O . HOH YJ 41 . ? 30.383 26.217 -21.067 1.00 70.21 ? 601 HOH d O 1 +HETATM 62368 O O . HOH YJ 41 . ? 36.419 27.977 -18.846 1.00 92.04 ? 602 HOH d O 1 +HETATM 62369 O O A HOH YJ 41 . ? 32.179 3.123 13.781 0.40 58.83 ? 603 HOH d O 1 +HETATM 62370 O O B HOH YJ 41 . ? 31.989 2.926 13.901 0.60 60.04 ? 603 HOH d O 1 +HETATM 62371 O O . HOH YJ 41 . ? 27.391 32.110 -14.994 1.00 64.08 ? 604 HOH d O 1 +HETATM 62372 O O . HOH YJ 41 . ? 11.307 34.514 -21.918 1.00 85.41 ? 605 HOH d O 1 +HETATM 62373 O O . HOH YJ 41 . ? 25.962 24.160 -20.000 1.00 63.83 ? 606 HOH d O 1 +HETATM 62374 O O . HOH YJ 41 . ? 33.899 45.873 -4.794 1.00 73.76 ? 607 HOH d O 1 +HETATM 62375 O O . HOH YJ 41 . ? -1.106 9.539 -38.410 1.00 81.85 ? 608 HOH d O 1 +HETATM 62376 O O A HOH YJ 41 . ? -5.978 14.155 -27.225 0.40 71.76 ? 609 HOH d O 1 +HETATM 62377 O O B HOH YJ 41 . ? -5.937 14.313 -27.104 0.60 72.54 ? 609 HOH d O 1 +HETATM 62378 O O . HOH YJ 41 . ? 6.634 -3.998 38.811 1.00 91.35 ? 610 HOH d O 1 +HETATM 62379 O O . HOH YJ 41 . ? 33.499 27.145 -19.510 1.00 86.18 ? 611 HOH d O 1 +HETATM 62380 O O . HOH YJ 41 . ? -5.953 6.187 -26.587 1.00 85.80 ? 612 HOH d O 1 +HETATM 62381 O O . HOH YJ 41 . ? -8.989 9.556 -26.708 1.00 94.83 ? 613 HOH d O 1 +HETATM 62382 O O . HOH YJ 41 . ? 28.254 25.851 -21.585 1.00 84.53 ? 614 HOH d O 1 +HETATM 62383 O O . HOH YJ 41 . ? 11.125 15.233 -25.338 1.00 45.29 ? 615 HOH d O 1 +HETATM 62384 O O . HOH YJ 41 . ? 32.914 29.435 -21.193 1.00 84.91 ? 616 HOH d O 1 +HETATM 62385 O O . HOH YJ 41 . ? 48.093 34.019 -14.528 1.00 87.21 ? 617 HOH d O 1 +HETATM 62386 O O . HOH ZJ 41 . ? 22.316 50.083 10.563 1.00 89.18 ? 201 HOH e O 1 +HETATM 62387 O O . HOH ZJ 41 . ? 22.735 46.223 1.776 1.00 67.59 ? 202 HOH e O 1 +HETATM 62388 O O . HOH ZJ 41 . ? 20.452 44.337 -1.748 1.00 66.47 ? 203 HOH e O 1 +HETATM 62389 O O . HOH ZJ 41 . ? 22.653 45.694 -0.873 1.00 64.17 ? 204 HOH e O 1 +HETATM 62390 O O . HOH ZJ 41 . ? 22.978 56.496 -10.082 1.00 103.13 ? 205 HOH e O 1 +HETATM 62391 O O . HOH ZJ 41 . ? 30.280 39.856 -1.797 1.00 61.86 ? 206 HOH e O 1 +HETATM 62392 O O . HOH ZJ 41 . ? 29.916 32.795 -16.754 1.00 53.11 ? 207 HOH e O 1 +HETATM 62393 O O . HOH ZJ 41 . ? 23.560 50.908 3.181 1.00 83.00 ? 208 HOH e O 1 +HETATM 62394 O O . HOH AK 41 . ? 14.311 50.337 1.955 1.00 106.57 ? 201 HOH f O 1 +HETATM 62395 O O . HOH AK 41 . ? 16.661 45.491 6.223 1.00 69.57 ? 202 HOH f O 1 +HETATM 62396 O O . HOH AK 41 . ? 21.661 51.895 2.052 1.00 92.72 ? 203 HOH f O 1 +HETATM 62397 O O . HOH BK 41 . ? 47.794 24.065 -4.388 1.00 63.26 ? 201 HOH h O 1 +HETATM 62398 O O . HOH BK 41 . ? 33.401 24.267 -19.654 1.00 69.17 ? 202 HOH h O 1 +HETATM 62399 O O . HOH BK 41 . ? 40.966 22.711 -19.975 1.00 71.81 ? 203 HOH h O 1 +HETATM 62400 O O . HOH BK 41 . ? 50.266 25.311 -18.683 1.00 64.58 ? 204 HOH h O 1 +HETATM 62401 O O . HOH BK 41 . ? 50.523 -31.454 4.119 1.00 86.49 ? 205 HOH h O 1 +HETATM 62402 O O . HOH BK 41 . ? 58.899 -27.779 -2.967 1.00 73.98 ? 206 HOH h O 1 +HETATM 62403 O O . HOH BK 41 . ? 52.149 22.839 -25.110 1.00 74.12 ? 207 HOH h O 1 +HETATM 62404 O O . HOH BK 41 . ? 41.722 23.020 -17.640 1.00 69.78 ? 208 HOH h O 1 +HETATM 62405 O O . HOH BK 41 . ? 62.630 -0.728 7.215 1.00 69.97 ? 209 HOH h O 1 +HETATM 62406 O O . HOH BK 41 . ? 48.306 17.329 -16.052 1.00 59.67 ? 210 HOH h O 1 +HETATM 62407 O O . HOH BK 41 . ? 58.353 -28.368 -11.104 1.00 70.34 ? 211 HOH h O 1 +HETATM 62408 O O . HOH BK 41 . ? 61.640 -10.265 12.609 1.00 86.64 ? 212 HOH h O 1 +HETATM 62409 O O . HOH BK 41 . ? 39.269 23.834 -15.190 1.00 65.57 ? 213 HOH h O 1 +HETATM 62410 O O . HOH BK 41 . ? 47.529 24.752 -17.334 1.00 58.20 ? 214 HOH h O 1 +HETATM 62411 O O . HOH BK 41 . ? 46.441 25.785 -19.276 1.00 80.13 ? 215 HOH h O 1 +HETATM 62412 O O . HOH BK 41 . ? 48.388 26.965 -6.817 1.00 65.49 ? 216 HOH h O 1 +HETATM 62413 O O . HOH BK 41 . ? 51.382 32.591 -17.049 1.00 94.27 ? 217 HOH h O 1 +HETATM 62414 O O . HOH CK 41 . ? -17.340 -1.154 23.726 1.00 79.67 ? 201 HOH i O 1 +HETATM 62415 O O . HOH CK 41 . ? -16.687 -7.170 21.980 1.00 60.85 ? 202 HOH i O 1 +HETATM 62416 O O . HOH DK 41 . ? 12.694 47.068 -0.002 1.00 69.62 ? 201 HOH j O 1 +HETATM 62417 O O . HOH EK 41 . ? -2.319 50.850 16.804 1.00 76.44 ? 201 HOH k O 1 +HETATM 62418 O O . HOH EK 41 . ? 6.639 19.725 39.075 1.00 70.17 ? 202 HOH k O 1 +HETATM 62419 O O . HOH EK 41 . ? -8.319 52.942 17.298 1.00 77.87 ? 203 HOH k O 1 +HETATM 62420 O O . HOH FK 41 . ? 8.788 -1.336 -14.361 1.00 48.92 ? 901 HOH l O 1 +HETATM 62421 O O . HOH FK 41 . ? 10.118 -17.731 7.140 1.00 51.54 ? 902 HOH l O 1 +HETATM 62422 O O . HOH FK 41 . ? 37.526 -22.576 5.601 1.00 88.27 ? 903 HOH l O 1 +HETATM 62423 O O . HOH FK 41 . ? 8.228 0.082 -21.555 1.00 43.82 ? 904 HOH l O 1 +HETATM 62424 O O . HOH FK 41 . ? 11.749 0.712 -27.510 1.00 50.47 ? 905 HOH l O 1 +HETATM 62425 O O . HOH FK 41 . ? 16.249 -0.590 -22.853 1.00 73.84 ? 906 HOH l O 1 +HETATM 62426 O O A HOH FK 41 . ? 15.324 -16.213 15.104 0.40 86.62 ? 907 HOH l O 1 +HETATM 62427 O O B HOH FK 41 . ? 15.460 -16.214 15.196 0.60 86.88 ? 907 HOH l O 1 +HETATM 62428 O O A HOH FK 41 . ? 8.736 -14.873 8.951 0.40 58.62 ? 908 HOH l O 1 +HETATM 62429 O O B HOH FK 41 . ? 8.681 -14.870 8.989 0.60 58.68 ? 908 HOH l O 1 +HETATM 62430 O O . HOH GK 41 . ? 18.534 -29.203 7.938 1.00 94.78 ? 201 HOH m O 1 +HETATM 62431 O O . HOH GK 41 . ? 21.370 -1.797 -34.398 1.00 75.72 ? 202 HOH m O 1 +HETATM 62432 O O . HOH GK 41 . ? 17.569 0.206 -29.540 1.00 69.10 ? 203 HOH m O 1 +HETATM 62433 O O . HOH GK 41 . ? 4.952 2.117 -29.886 1.00 49.89 ? 204 HOH m O 1 +HETATM 62434 O O . HOH GK 41 . ? 6.819 3.325 -36.535 1.00 86.68 ? 205 HOH m O 1 +HETATM 62435 O O . HOH GK 41 . ? 24.687 -25.565 7.102 1.00 99.96 ? 206 HOH m O 1 +HETATM 62436 O O . HOH GK 41 . ? 11.371 -34.102 -1.204 1.00 84.26 ? 207 HOH m O 1 +HETATM 62437 O O . HOH GK 41 . ? 13.479 -11.706 -26.154 1.00 55.50 ? 208 HOH m O 1 +HETATM 62438 O O . HOH GK 41 . ? 12.918 -24.274 6.566 1.00 79.03 ? 209 HOH m O 1 +HETATM 62439 O O . HOH GK 41 . ? 16.552 -4.624 -30.244 1.00 88.82 ? 210 HOH m O 1 +HETATM 62440 O O . HOH GK 41 . ? 3.673 1.689 -35.305 1.00 91.87 ? 211 HOH m O 1 +HETATM 62441 O O . HOH GK 41 . ? 3.213 2.191 -31.896 1.00 63.76 ? 212 HOH m O 1 +HETATM 62442 O O . HOH GK 41 . ? 24.161 -2.335 -35.094 1.00 84.43 ? 213 HOH m O 1 +HETATM 62443 O O . HOH HK 41 . ? -45.548 16.076 -40.015 1.00 76.15 ? 401 HOH o O 1 +HETATM 62444 O O . HOH HK 41 . ? -26.913 17.195 -36.130 1.00 55.20 ? 402 HOH o O 1 +HETATM 62445 O O . HOH HK 41 . ? -26.716 24.475 -9.131 1.00 65.27 ? 403 HOH o O 1 +HETATM 62446 O O . HOH HK 41 . ? -38.545 15.960 -24.170 1.00 81.39 ? 404 HOH o O 1 +HETATM 62447 O O . HOH HK 41 . ? -52.619 19.850 -37.442 1.00 81.17 ? 405 HOH o O 1 +HETATM 62448 O O . HOH HK 41 . ? 12.239 18.090 -37.273 1.00 83.87 ? 406 HOH o O 1 +HETATM 62449 O O . HOH HK 41 . ? -22.238 20.518 -22.594 1.00 54.01 ? 407 HOH o O 1 +HETATM 62450 O O . HOH HK 41 . ? -26.804 8.393 -45.187 1.00 96.08 ? 408 HOH o O 1 +HETATM 62451 O O . HOH HK 41 . ? -14.725 -0.564 -34.044 1.00 84.28 ? 409 HOH o O 1 +HETATM 62452 O O . HOH HK 41 . ? -13.365 1.939 -24.876 1.00 78.20 ? 410 HOH o O 1 +HETATM 62453 O O . HOH HK 41 . ? -18.909 5.679 -41.011 1.00 68.70 ? 411 HOH o O 1 +HETATM 62454 O O . HOH HK 41 . ? -24.591 4.399 -21.419 1.00 58.12 ? 412 HOH o O 1 +HETATM 62455 O O . HOH HK 41 . ? -6.564 10.549 -33.789 1.00 80.35 ? 413 HOH o O 1 +HETATM 62456 O O . HOH HK 41 . ? -22.651 14.510 -24.415 1.00 53.32 ? 414 HOH o O 1 +HETATM 62457 O O . HOH HK 41 . ? -12.063 4.407 -29.152 1.00 73.03 ? 415 HOH o O 1 +HETATM 62458 O O . HOH HK 41 . ? -15.471 -1.164 -31.492 1.00 67.96 ? 416 HOH o O 1 +HETATM 62459 O O . HOH HK 41 . ? 17.868 11.246 -39.259 1.00 47.32 ? 417 HOH o O 1 +HETATM 62460 O O . HOH HK 41 . ? -4.693 15.604 -34.626 1.00 61.25 ? 418 HOH o O 1 +HETATM 62461 O O . HOH HK 41 . ? 5.806 25.660 -32.872 1.00 71.11 ? 419 HOH o O 1 +HETATM 62462 O O . HOH HK 41 . ? -5.179 22.755 -32.839 1.00 55.50 ? 420 HOH o O 1 +HETATM 62463 O O . HOH HK 41 . ? -14.350 11.329 -26.049 1.00 47.42 ? 421 HOH o O 1 +HETATM 62464 O O . HOH HK 41 . ? -38.653 12.275 -37.713 1.00 80.15 ? 422 HOH o O 1 +HETATM 62465 O O . HOH HK 41 . ? -27.713 3.626 -30.608 1.00 79.18 ? 423 HOH o O 1 +HETATM 62466 O O . HOH HK 41 . ? -20.869 16.835 -41.306 1.00 58.19 ? 424 HOH o O 1 +HETATM 62467 O O . HOH HK 41 . ? -9.427 27.980 -30.419 1.00 49.27 ? 425 HOH o O 1 +HETATM 62468 O O . HOH HK 41 . ? -14.952 10.071 -34.975 1.00 69.07 ? 426 HOH o O 1 +HETATM 62469 O O . HOH HK 41 . ? -16.594 18.957 -39.820 1.00 64.12 ? 427 HOH o O 1 +HETATM 62470 O O . HOH HK 41 . ? -29.552 12.096 -25.055 1.00 70.24 ? 428 HOH o O 1 +HETATM 62471 O O . HOH HK 41 . ? -24.038 8.277 -20.642 1.00 52.56 ? 429 HOH o O 1 +HETATM 62472 O O . HOH HK 41 . ? -32.793 13.456 -19.228 1.00 80.63 ? 430 HOH o O 1 +HETATM 62473 O O . HOH HK 41 . ? -11.597 11.236 -32.751 1.00 65.21 ? 431 HOH o O 1 +HETATM 62474 O O A HOH HK 41 . ? -22.193 13.152 -11.310 0.40 59.40 ? 432 HOH o O 1 +HETATM 62475 O O B HOH HK 41 . ? -22.160 13.091 -11.348 0.60 59.57 ? 432 HOH o O 1 +HETATM 62476 O O . HOH HK 41 . ? -5.218 31.765 -30.556 1.00 53.12 ? 433 HOH o O 1 +HETATM 62477 O O . HOH HK 41 . ? -26.754 4.918 -24.737 1.00 67.52 ? 434 HOH o O 1 +HETATM 62478 O O . HOH HK 41 . ? 5.807 16.419 -40.320 1.00 70.81 ? 435 HOH o O 1 +HETATM 62479 O O . HOH HK 41 . ? -21.881 17.721 -23.879 1.00 54.14 ? 436 HOH o O 1 +HETATM 62480 O O . HOH HK 41 . ? -15.216 16.245 -38.708 1.00 70.15 ? 437 HOH o O 1 +HETATM 62481 O O . HOH HK 41 . ? 8.323 15.547 -25.771 1.00 45.70 ? 438 HOH o O 1 +HETATM 62482 O O . HOH HK 41 . ? -25.432 34.057 -26.764 1.00 61.96 ? 439 HOH o O 1 +HETATM 62483 O O . HOH HK 41 . ? -3.728 16.298 -40.867 1.00 57.36 ? 440 HOH o O 1 +HETATM 62484 O O . HOH HK 41 . ? -9.810 18.046 -40.798 1.00 60.68 ? 441 HOH o O 1 +HETATM 62485 O O . HOH HK 41 . ? -16.058 3.244 -21.578 1.00 53.26 ? 442 HOH o O 1 +HETATM 62486 O O . HOH HK 41 . ? 14.121 20.442 -33.417 1.00 91.27 ? 443 HOH o O 1 +HETATM 62487 O O . HOH HK 41 . ? -17.584 14.313 -26.117 1.00 51.20 ? 444 HOH o O 1 +HETATM 62488 O O . HOH HK 41 . ? -11.231 19.146 -37.974 1.00 66.41 ? 445 HOH o O 1 +HETATM 62489 O O . HOH HK 41 . ? -11.203 18.030 -34.379 1.00 57.80 ? 446 HOH o O 1 +HETATM 62490 O O . HOH HK 41 . ? 5.666 17.092 -30.376 1.00 49.56 ? 447 HOH o O 1 +HETATM 62491 O O . HOH HK 41 . ? -2.422 31.672 -31.208 1.00 53.13 ? 448 HOH o O 1 +HETATM 62492 O O . HOH HK 41 . ? -18.639 16.214 -35.349 1.00 50.74 ? 449 HOH o O 1 +HETATM 62493 O O . HOH HK 41 . ? 14.023 17.723 -29.866 1.00 58.28 ? 450 HOH o O 1 +HETATM 62494 O O . HOH HK 41 . ? -6.941 23.664 -41.752 1.00 62.26 ? 451 HOH o O 1 +HETATM 62495 O O . HOH HK 41 . ? -23.086 23.848 -25.445 1.00 54.85 ? 452 HOH o O 1 +HETATM 62496 O O . HOH HK 41 . ? 8.312 15.655 -36.770 1.00 51.21 ? 453 HOH o O 1 +HETATM 62497 O O A HOH HK 41 . ? -4.649 24.965 -25.818 0.40 55.29 ? 454 HOH o O 1 +HETATM 62498 O O B HOH HK 41 . ? -4.977 24.758 -25.737 0.60 54.37 ? 454 HOH o O 1 +HETATM 62499 O O . HOH HK 41 . ? -21.939 -0.913 -32.080 1.00 65.62 ? 455 HOH o O 1 +HETATM 62500 O O . HOH HK 41 . ? -16.749 17.940 -36.128 1.00 54.96 ? 456 HOH o O 1 +HETATM 62501 O O . HOH HK 41 . ? 13.906 18.134 -35.599 1.00 70.22 ? 457 HOH o O 1 +HETATM 62502 O O . HOH HK 41 . ? -36.297 28.658 -11.185 1.00 84.93 ? 458 HOH o O 1 +HETATM 62503 O O . HOH HK 41 . ? -4.430 19.556 -32.067 1.00 62.85 ? 459 HOH o O 1 +HETATM 62504 O O . HOH HK 41 . ? -10.031 15.073 -30.956 1.00 65.25 ? 460 HOH o O 1 +HETATM 62505 O O . HOH HK 41 . ? 7.122 14.208 -30.217 1.00 48.71 ? 461 HOH o O 1 +HETATM 62506 O O . HOH HK 41 . ? -19.885 18.603 -46.075 1.00 88.77 ? 462 HOH o O 1 +HETATM 62507 O O . HOH HK 41 . ? -3.726 15.724 -37.238 1.00 62.92 ? 463 HOH o O 1 +HETATM 62508 O O . HOH HK 41 . ? 12.943 15.786 -27.127 1.00 51.20 ? 464 HOH o O 1 +HETATM 62509 O O . HOH HK 41 . ? -23.873 29.663 -34.325 1.00 74.25 ? 465 HOH o O 1 +HETATM 62510 O O . HOH HK 41 . ? -32.694 21.576 -22.504 1.00 60.77 ? 466 HOH o O 1 +HETATM 62511 O O . HOH HK 41 . ? -8.949 13.143 -27.093 1.00 69.45 ? 467 HOH o O 1 +HETATM 62512 O O . HOH HK 41 . ? -32.978 11.634 -24.476 1.00 89.12 ? 468 HOH o O 1 +HETATM 62513 O O A HOH HK 41 . ? -20.608 14.267 -18.533 0.40 51.70 ? 469 HOH o O 1 +HETATM 62514 O O B HOH HK 41 . ? -20.593 14.308 -18.555 0.60 51.82 ? 469 HOH o O 1 +HETATM 62515 O O . HOH HK 41 . ? -34.739 18.420 -7.470 1.00 82.54 ? 470 HOH o O 1 +HETATM 62516 O O . HOH HK 41 . ? -18.748 -1.279 -25.656 1.00 76.02 ? 471 HOH o O 1 +HETATM 62517 O O . HOH HK 41 . ? 0.018 22.001 -37.268 1.00 60.79 ? 472 HOH o O 1 +HETATM 62518 O O . HOH HK 41 . ? -27.476 5.639 -29.014 1.00 66.16 ? 473 HOH o O 1 +HETATM 62519 O O . HOH HK 41 . ? 11.026 15.226 -36.127 1.00 78.52 ? 474 HOH o O 1 +HETATM 62520 O O . HOH HK 41 . ? -30.391 10.310 -23.050 1.00 97.00 ? 475 HOH o O 1 +HETATM 62521 O O . HOH HK 41 . ? 12.936 15.332 -41.818 1.00 97.26 ? 476 HOH o O 1 +HETATM 62522 O O . HOH HK 41 . ? 13.403 10.807 -47.118 1.00 109.19 ? 477 HOH o O 1 +HETATM 62523 O O . HOH HK 41 . ? -13.241 21.035 -44.607 1.00 84.24 ? 478 HOH o O 1 +HETATM 62524 O O . HOH HK 41 . ? -10.761 -7.825 -40.522 1.00 82.55 ? 479 HOH o O 1 +HETATM 62525 O O . HOH HK 41 . ? 7.605 26.303 -30.902 1.00 75.50 ? 480 HOH o O 1 +HETATM 62526 O O . HOH HK 41 . ? -13.744 17.326 -36.581 1.00 58.63 ? 481 HOH o O 1 +HETATM 62527 O O . HOH HK 41 . ? -15.316 1.678 -37.144 1.00 77.58 ? 482 HOH o O 1 +HETATM 62528 O O . HOH HK 41 . ? -11.427 13.122 -28.907 1.00 60.66 ? 483 HOH o O 1 +HETATM 62529 O O . HOH HK 41 . ? 1.261 10.975 -39.737 1.00 92.20 ? 484 HOH o O 1 +HETATM 62530 O O . HOH HK 41 . ? -13.043 8.203 -33.317 1.00 72.77 ? 485 HOH o O 1 +HETATM 62531 O O . HOH HK 41 . ? -8.096 14.553 -29.014 1.00 70.36 ? 486 HOH o O 1 +HETATM 62532 O O . HOH HK 41 . ? 8.813 5.037 -36.969 1.00 116.29 ? 487 HOH o O 1 +HETATM 62533 O O . HOH HK 41 . ? -30.612 11.610 -12.063 1.00 94.34 ? 488 HOH o O 1 +HETATM 62534 O O . HOH HK 41 . ? 11.623 17.924 -34.009 1.00 74.13 ? 489 HOH o O 1 +HETATM 62535 O O . HOH HK 41 . ? -10.579 7.342 -25.693 1.00 51.66 ? 490 HOH o O 1 +HETATM 62536 O O A HOH HK 41 . ? -3.850 27.271 -26.622 0.40 57.96 ? 491 HOH o O 1 +HETATM 62537 O O B HOH HK 41 . ? -3.396 26.827 -26.567 0.60 62.58 ? 491 HOH o O 1 +HETATM 62538 O O . HOH HK 41 . ? -11.331 6.320 -32.013 1.00 104.24 ? 492 HOH o O 1 +HETATM 62539 O O . HOH HK 41 . ? -54.674 22.890 -30.801 1.00 103.49 ? 493 HOH o O 1 +HETATM 62540 O O . HOH HK 41 . ? 7.989 18.252 -38.679 1.00 84.19 ? 494 HOH o O 1 +HETATM 62541 O O . HOH HK 41 . ? -37.346 9.404 -31.707 1.00 89.82 ? 495 HOH o O 1 +HETATM 62542 O O . HOH HK 41 . ? -4.990 8.533 -35.407 1.00 87.89 ? 496 HOH o O 1 +HETATM 62543 O O . HOH HK 41 . ? -22.500 13.912 -44.205 1.00 101.19 ? 497 HOH o O 1 +HETATM 62544 O O . HOH HK 41 . ? -25.320 -0.881 -28.196 1.00 86.22 ? 498 HOH o O 1 +HETATM 62545 O O . HOH HK 41 . ? -12.614 9.342 -26.863 1.00 51.47 ? 499 HOH o O 1 +HETATM 62546 O O . HOH IK 41 . ? 0.277 -5.487 -24.143 1.00 68.57 ? 201 HOH t O 1 +HETATM 62547 O O A HOH IK 41 . ? 12.294 -19.219 16.451 0.40 88.55 ? 202 HOH t O 1 +HETATM 62548 O O B HOH IK 41 . ? 12.274 -19.391 16.502 0.60 88.80 ? 202 HOH t O 1 +HETATM 62549 O O . HOH IK 41 . ? 8.040 -15.684 6.354 1.00 49.10 ? 203 HOH t O 1 +HETATM 62550 O O . HOH IK 41 . ? 1.904 -3.303 -21.068 1.00 60.53 ? 204 HOH t O 1 +HETATM 62551 O O . HOH IK 41 . ? 15.073 -22.682 7.271 1.00 62.66 ? 205 HOH t O 1 +HETATM 62552 O O . HOH IK 41 . ? 4.397 -21.806 9.381 1.00 76.46 ? 206 HOH t O 1 +HETATM 62553 O O A HOH IK 41 . ? 9.682 -16.381 10.940 0.40 76.88 ? 207 HOH t O 1 +HETATM 62554 O O B HOH IK 41 . ? 9.749 -16.373 11.142 0.60 77.92 ? 207 HOH t O 1 +HETATM 62555 O O A HOH IK 41 . ? 6.966 -13.925 10.463 0.40 60.25 ? 208 HOH t O 1 +HETATM 62556 O O B HOH IK 41 . ? 6.956 -14.013 10.521 0.60 60.59 ? 208 HOH t O 1 +HETATM 62557 O O . HOH JK 41 . ? -14.374 53.225 -31.032 1.00 70.08 ? 201 HOH u O 1 +HETATM 62558 O O . HOH JK 41 . ? 3.575 25.079 -39.618 1.00 105.03 ? 202 HOH u O 1 +HETATM 62559 O O . HOH JK 41 . ? 2.456 37.659 -19.695 1.00 54.76 ? 203 HOH u O 1 +HETATM 62560 O O . HOH JK 41 . ? -10.869 39.863 -26.445 1.00 72.80 ? 204 HOH u O 1 +HETATM 62561 O O . HOH JK 41 . ? -16.128 45.973 -52.423 1.00 84.48 ? 205 HOH u O 1 +HETATM 62562 O O . HOH JK 41 . ? -8.665 51.869 -29.922 1.00 63.78 ? 206 HOH u O 1 +HETATM 62563 O O . HOH JK 41 . ? -22.660 53.893 -34.440 1.00 93.57 ? 207 HOH u O 1 +HETATM 62564 O O . HOH JK 41 . ? -1.960 47.582 -38.184 1.00 96.94 ? 208 HOH u O 1 +HETATM 62565 O O . HOH JK 41 . ? -8.521 30.795 -33.659 1.00 56.58 ? 209 HOH u O 1 +HETATM 62566 O O . HOH JK 41 . ? -14.999 37.331 -40.268 1.00 71.88 ? 210 HOH u O 1 +HETATM 62567 O O . HOH JK 41 . ? -17.596 27.068 -33.640 1.00 54.51 ? 211 HOH u O 1 +HETATM 62568 O O . HOH JK 41 . ? -6.247 56.140 -43.907 1.00 76.01 ? 212 HOH u O 1 +HETATM 62569 O O . HOH JK 41 . ? -21.927 53.969 -43.070 1.00 82.81 ? 213 HOH u O 1 +HETATM 62570 O O . HOH JK 41 . ? -15.223 34.597 -34.101 1.00 55.53 ? 214 HOH u O 1 +HETATM 62571 O O A HOH JK 41 . ? -2.201 36.592 -18.002 0.40 79.42 ? 215 HOH u O 1 +HETATM 62572 O O B HOH JK 41 . ? -2.554 36.593 -17.979 0.60 80.58 ? 215 HOH u O 1 +HETATM 62573 O O . HOH JK 41 . ? 2.402 24.225 -42.561 1.00 80.23 ? 216 HOH u O 1 +HETATM 62574 O O . HOH JK 41 . ? -18.150 61.702 -42.076 1.00 73.44 ? 217 HOH u O 1 +HETATM 62575 O O . HOH JK 41 . ? -8.803 36.391 -24.770 1.00 67.39 ? 218 HOH u O 1 +HETATM 62576 O O . HOH JK 41 . ? -3.775 40.624 -38.277 1.00 62.89 ? 219 HOH u O 1 +HETATM 62577 O O . HOH JK 41 . ? -2.620 34.281 -35.945 1.00 77.62 ? 220 HOH u O 1 +HETATM 62578 O O . HOH JK 41 . ? -13.477 45.482 -23.307 1.00 63.64 ? 221 HOH u O 1 +HETATM 62579 O O . HOH JK 41 . ? -4.119 23.658 -41.467 1.00 51.83 ? 222 HOH u O 1 +HETATM 62580 O O . HOH JK 41 . ? -7.298 57.232 -34.919 1.00 87.35 ? 223 HOH u O 1 +HETATM 62581 O O . HOH JK 41 . ? -10.752 28.158 -33.798 1.00 52.74 ? 224 HOH u O 1 +HETATM 62582 O O . HOH JK 41 . ? -19.654 59.034 -32.430 1.00 92.71 ? 225 HOH u O 1 +HETATM 62583 O O . HOH JK 41 . ? -24.285 60.303 -44.075 1.00 97.74 ? 226 HOH u O 1 +HETATM 62584 O O . HOH JK 41 . ? -2.713 50.827 -27.392 1.00 82.87 ? 227 HOH u O 1 +HETATM 62585 O O . HOH JK 41 . ? -9.345 35.569 -34.682 1.00 54.90 ? 228 HOH u O 1 +HETATM 62586 O O . HOH JK 41 . ? -10.702 61.327 -41.416 1.00 78.72 ? 229 HOH u O 1 +HETATM 62587 O O . HOH JK 41 . ? -5.938 37.365 -34.701 1.00 58.56 ? 230 HOH u O 1 +HETATM 62588 O O . HOH JK 41 . ? -9.078 25.530 -42.442 1.00 70.83 ? 231 HOH u O 1 +HETATM 62589 O O . HOH JK 41 . ? -17.769 31.897 -34.422 1.00 72.06 ? 232 HOH u O 1 +HETATM 62590 O O . HOH JK 41 . ? -11.185 28.495 -44.517 1.00 81.97 ? 233 HOH u O 1 +HETATM 62591 O O . HOH JK 41 . ? -16.174 38.154 -38.036 1.00 73.28 ? 234 HOH u O 1 +HETATM 62592 O O . HOH JK 41 . ? -13.630 34.991 -47.803 1.00 77.94 ? 235 HOH u O 1 +HETATM 62593 O O . HOH JK 41 . ? 3.319 38.942 -43.968 1.00 78.28 ? 236 HOH u O 1 +HETATM 62594 O O . HOH JK 41 . ? -9.179 46.040 -49.807 1.00 86.10 ? 237 HOH u O 1 +HETATM 62595 O O . HOH JK 41 . ? -2.084 39.501 -48.683 1.00 73.59 ? 238 HOH u O 1 +HETATM 62596 O O . HOH JK 41 . ? -9.928 30.185 -28.214 1.00 63.62 ? 239 HOH u O 1 +HETATM 62597 O O . HOH JK 41 . ? -18.405 43.901 -48.286 1.00 71.99 ? 240 HOH u O 1 +HETATM 62598 O O . HOH JK 41 . ? 2.070 26.396 -43.657 1.00 102.20 ? 241 HOH u O 1 +HETATM 62599 O O . HOH JK 41 . ? -4.795 30.561 -44.811 1.00 63.51 ? 242 HOH u O 1 +HETATM 62600 O O . HOH JK 41 . ? -7.064 34.980 -33.278 1.00 56.56 ? 243 HOH u O 1 +HETATM 62601 O O . HOH JK 41 . ? -8.933 38.076 -27.265 1.00 70.82 ? 244 HOH u O 1 +HETATM 62602 O O . HOH JK 41 . ? -4.218 21.590 -45.207 1.00 81.69 ? 245 HOH u O 1 +HETATM 62603 O O . HOH JK 41 . ? -6.243 38.673 -27.288 1.00 65.39 ? 246 HOH u O 1 +HETATM 62604 O O . HOH JK 41 . ? -21.190 62.682 -35.235 1.00 84.68 ? 247 HOH u O 1 +HETATM 62605 O O . HOH JK 41 . ? -2.567 43.046 -36.442 1.00 92.33 ? 248 HOH u O 1 +HETATM 62606 O O . HOH JK 41 . ? -3.789 32.498 -46.762 1.00 88.22 ? 249 HOH u O 1 +HETATM 62607 O O . HOH JK 41 . ? -6.293 32.382 -33.101 1.00 62.52 ? 250 HOH u O 1 +HETATM 62608 O O . HOH JK 41 . ? -3.166 55.955 -47.264 1.00 82.71 ? 251 HOH u O 1 +HETATM 62609 O O . HOH KK 41 . ? -16.637 55.287 -31.584 1.00 68.16 ? 301 HOH v O 1 +HETATM 62610 O O . HOH KK 41 . ? -12.604 61.326 -18.355 1.00 73.47 ? 302 HOH v O 1 +HETATM 62611 O O . HOH KK 41 . ? 5.801 56.603 -18.271 1.00 73.31 ? 303 HOH v O 1 +HETATM 62612 O O . HOH KK 41 . ? 3.477 59.372 -23.502 1.00 96.54 ? 304 HOH v O 1 +HETATM 62613 O O . HOH KK 41 . ? -10.728 44.174 -6.484 1.00 62.73 ? 305 HOH v O 1 +HETATM 62614 O O . HOH KK 41 . ? -8.200 55.610 -28.017 1.00 65.54 ? 306 HOH v O 1 +HETATM 62615 O O . HOH KK 41 . ? 12.270 38.817 -12.125 1.00 77.25 ? 307 HOH v O 1 +HETATM 62616 O O . HOH KK 41 . ? -13.973 64.378 -17.179 1.00 86.44 ? 308 HOH v O 1 +HETATM 62617 O O A HOH KK 41 . ? -1.187 38.911 -12.337 0.40 95.11 ? 309 HOH v O 1 +HETATM 62618 O O B HOH KK 41 . ? -1.331 38.772 -12.291 0.60 95.48 ? 309 HOH v O 1 +HETATM 62619 O O . HOH KK 41 . ? 9.030 50.753 -5.910 1.00 80.68 ? 310 HOH v O 1 +HETATM 62620 O O . HOH KK 41 . ? -17.261 57.605 -15.440 1.00 74.26 ? 311 HOH v O 1 +HETATM 62621 O O . HOH KK 41 . ? -24.973 50.779 -10.268 1.00 88.62 ? 312 HOH v O 1 +HETATM 62622 O O . HOH KK 41 . ? 18.554 55.841 -2.316 1.00 93.71 ? 313 HOH v O 1 +HETATM 62623 O O . HOH KK 41 . ? -13.418 61.376 -2.074 1.00 82.75 ? 314 HOH v O 1 +HETATM 62624 O O A HOH KK 41 . ? -2.570 33.492 -14.520 0.40 70.23 ? 315 HOH v O 1 +HETATM 62625 O O B HOH KK 41 . ? -2.480 33.423 -14.508 0.60 70.40 ? 315 HOH v O 1 +HETATM 62626 O O . HOH KK 41 . ? 5.844 41.660 -15.342 1.00 58.91 ? 316 HOH v O 1 +HETATM 62627 O O . HOH KK 41 . ? -10.806 52.477 -19.780 1.00 61.45 ? 317 HOH v O 1 +HETATM 62628 O O . HOH KK 41 . ? -12.473 50.216 -23.209 1.00 59.98 ? 318 HOH v O 1 +HETATM 62629 O O . HOH KK 41 . ? -15.858 46.284 -11.309 1.00 67.32 ? 319 HOH v O 1 +HETATM 62630 O O . HOH KK 41 . ? -3.461 43.873 -18.957 1.00 68.42 ? 320 HOH v O 1 +HETATM 62631 O O . HOH KK 41 . ? 2.044 46.310 -8.567 1.00 64.39 ? 321 HOH v O 1 +HETATM 62632 O O . HOH KK 41 . ? 2.539 54.162 -17.345 1.00 60.74 ? 322 HOH v O 1 +HETATM 62633 O O . HOH KK 41 . ? 11.991 64.223 -3.185 1.00 96.22 ? 323 HOH v O 1 +HETATM 62634 O O . HOH KK 41 . ? -10.430 42.524 -25.770 1.00 61.61 ? 324 HOH v O 1 +HETATM 62635 O O . HOH KK 41 . ? -10.143 57.089 -21.614 1.00 63.92 ? 325 HOH v O 1 +HETATM 62636 O O . HOH KK 41 . ? -6.025 40.536 -25.086 1.00 73.00 ? 326 HOH v O 1 +HETATM 62637 O O . HOH KK 41 . ? 1.387 41.680 -13.078 1.00 60.00 ? 327 HOH v O 1 +HETATM 62638 O O . HOH KK 41 . ? 0.902 46.868 -24.166 1.00 74.66 ? 328 HOH v O 1 +HETATM 62639 O O . HOH KK 41 . ? 5.815 48.217 -8.641 1.00 68.72 ? 329 HOH v O 1 +HETATM 62640 O O . HOH KK 41 . ? -14.105 47.778 -14.426 1.00 75.76 ? 330 HOH v O 1 +HETATM 62641 O O . HOH KK 41 . ? 5.123 51.782 -20.303 1.00 65.05 ? 331 HOH v O 1 +HETATM 62642 O O . HOH KK 41 . ? -14.025 48.059 -22.791 1.00 63.61 ? 332 HOH v O 1 +HETATM 62643 O O . HOH KK 41 . ? -6.014 47.012 -4.263 1.00 69.84 ? 333 HOH v O 1 +HETATM 62644 O O . HOH KK 41 . ? 3.249 40.671 -22.265 1.00 86.56 ? 334 HOH v O 1 +HETATM 62645 O O . HOH KK 41 . ? -9.474 47.144 -4.587 1.00 70.89 ? 335 HOH v O 1 +HETATM 62646 O O . HOH KK 41 . ? -9.100 54.273 -21.039 1.00 65.25 ? 336 HOH v O 1 +HETATM 62647 O O . HOH KK 41 . ? -14.437 43.141 -17.270 1.00 71.26 ? 337 HOH v O 1 +HETATM 62648 O O . HOH KK 41 . ? -13.783 44.920 -13.492 1.00 62.58 ? 338 HOH v O 1 +HETATM 62649 O O . HOH KK 41 . ? -16.238 48.518 -18.762 1.00 80.62 ? 339 HOH v O 1 +HETATM 62650 O O . HOH KK 41 . ? -19.658 47.652 -5.172 1.00 87.13 ? 340 HOH v O 1 +HETATM 62651 O O . HOH KK 41 . ? 3.009 42.749 -14.860 1.00 56.81 ? 341 HOH v O 1 +HETATM 62652 O O . HOH KK 41 . ? 3.179 48.854 -8.042 1.00 74.48 ? 342 HOH v O 1 +HETATM 62653 O O . HOH KK 41 . ? -13.569 50.523 -3.247 1.00 71.71 ? 343 HOH v O 1 +HETATM 62654 O O . HOH KK 41 . ? -13.888 45.964 -19.257 1.00 73.88 ? 344 HOH v O 1 +HETATM 62655 O O . HOH KK 41 . ? -1.233 50.036 1.188 1.00 85.61 ? 345 HOH v O 1 +HETATM 62656 O O . HOH KK 41 . ? 17.466 59.523 -14.462 1.00 109.81 ? 346 HOH v O 1 +HETATM 62657 O O . HOH KK 41 . ? -7.557 66.536 -14.019 1.00 101.48 ? 347 HOH v O 1 +HETATM 62658 O O . HOH KK 41 . ? 8.318 60.712 -18.048 1.00 92.62 ? 348 HOH v O 1 +HETATM 62659 O O . HOH KK 41 . ? -11.295 50.117 -5.214 1.00 77.16 ? 349 HOH v O 1 +HETATM 62660 O O . HOH KK 41 . ? 5.606 44.707 -12.667 1.00 87.00 ? 350 HOH v O 1 +HETATM 62661 O O . HOH KK 41 . ? -14.369 56.968 -30.839 1.00 83.80 ? 351 HOH v O 1 +HETATM 62662 O O . HOH KK 41 . ? -15.420 62.222 -20.238 1.00 81.65 ? 352 HOH v O 1 +HETATM 62663 O O . HOH KK 41 . ? 8.456 63.429 -19.239 1.00 105.47 ? 353 HOH v O 1 +HETATM 62664 O O . HOH KK 41 . ? 8.171 46.283 -7.140 1.00 94.06 ? 354 HOH v O 1 +HETATM 62665 O O . HOH KK 41 . ? 5.351 45.629 -10.254 1.00 80.30 ? 355 HOH v O 1 +HETATM 62666 O O . HOH KK 41 . ? -16.549 47.483 -23.013 1.00 83.12 ? 356 HOH v O 1 +HETATM 62667 O O . HOH LK 41 . ? 52.120 36.744 0.278 1.00 107.98 ? 201 HOH x O 1 +HETATM 62668 O O . HOH LK 41 . ? 55.297 14.816 21.819 1.00 74.38 ? 202 HOH x O 1 +HETATM 62669 O O . HOH LK 41 . ? 48.781 28.594 -9.050 1.00 68.79 ? 203 HOH x O 1 +HETATM 62670 O O . HOH LK 41 . ? 50.450 32.365 -14.729 1.00 69.20 ? 204 HOH x O 1 +HETATM 62671 O O . HOH LK 41 . ? 51.143 13.571 26.607 1.00 83.51 ? 205 HOH x O 1 +HETATM 62672 O O . HOH LK 41 . ? 50.258 24.833 -4.106 1.00 71.63 ? 206 HOH x O 1 +HETATM 62673 O O . HOH MK 41 . ? 0.270 26.243 45.448 1.00 87.25 ? 201 HOH y O 1 +HETATM 62674 O O . HOH MK 41 . ? 7.201 24.750 47.043 1.00 84.13 ? 202 HOH y O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . ALA A 11 ? 1.5417 1.6466 1.6202 0.0889 -0.0865 -0.0449 11 ALA A N +2 C CA . ALA A 11 ? 1.4996 1.5982 1.5737 0.0829 -0.0833 -0.0426 11 ALA A CA +3 C C . ALA A 11 ? 1.6377 1.7446 1.7203 0.0771 -0.0800 -0.0442 11 ALA A C +4 O O . ALA A 11 ? 1.4426 1.5526 1.5275 0.0733 -0.0809 -0.0446 11 ALA A O +5 C CB . ALA A 11 ? 1.5579 1.6505 1.6253 0.0819 -0.0863 -0.0409 11 ALA A CB +6 N N . ASN A 12 ? 1.3681 1.4783 1.4550 0.0765 -0.0762 -0.0449 12 ASN A N +7 C CA . ASN A 12 ? 1.2900 1.4075 1.3845 0.0711 -0.0726 -0.0463 12 ASN A CA +8 C C . ASN A 12 ? 1.1805 1.2903 1.2693 0.0655 -0.0693 -0.0437 12 ASN A C +9 O O . ASN A 12 ? 0.9866 1.0857 1.0660 0.0659 -0.0693 -0.0409 12 ASN A O +10 C CB . ASN A 12 ? 1.2913 1.4152 1.3924 0.0724 -0.0696 -0.0481 12 ASN A CB +11 C CG . ASN A 12 ? 1.2761 1.3920 1.3715 0.0717 -0.0655 -0.0460 12 ASN A CG +12 O OD1 . ASN A 12 ? 1.2695 1.3752 1.3558 0.0738 -0.0662 -0.0436 12 ASN A OD1 +13 N ND2 . ASN A 12 ? 1.2704 1.3909 1.3710 0.0685 -0.0611 -0.0469 12 ASN A ND2 +14 N N . LEU A 13 ? 0.8967 1.0120 0.9913 0.0601 -0.0663 -0.0446 13 LEU A N +15 C CA . LEU A 13 ? 1.0209 1.1299 1.1108 0.0546 -0.0637 -0.0425 13 LEU A CA +16 C C . LEU A 13 ? 0.9701 1.0706 1.0537 0.0542 -0.0600 -0.0401 13 LEU A C +17 O O . LEU A 13 ? 0.8971 0.9892 0.9736 0.0515 -0.0590 -0.0376 13 LEU A O +18 C CB . LEU A 13 ? 0.8840 1.0010 0.9817 0.0492 -0.0614 -0.0441 13 LEU A CB +19 C CG . LEU A 13 ? 1.0585 1.1692 1.1513 0.0437 -0.0593 -0.0420 13 LEU A CG +20 C CD1 . LEU A 13 ? 1.0371 1.1411 1.1228 0.0445 -0.0630 -0.0403 13 LEU A CD1 +21 C CD2 . LEU A 13 ? 1.4073 1.5255 1.5074 0.0384 -0.0574 -0.0437 13 LEU A CD2 +22 N N . TRP A 14 ? 0.8975 1.0002 0.9835 0.0567 -0.0580 -0.0410 14 TRP A N +23 C CA . TRP A 14 ? 0.8072 0.9017 0.8871 0.0564 -0.0547 -0.0389 14 TRP A CA +24 C C . TRP A 14 ? 0.9003 0.9844 0.9705 0.0599 -0.0570 -0.0366 14 TRP A C +25 O O . TRP A 14 ? 0.8358 0.9108 0.8987 0.0579 -0.0554 -0.0340 14 TRP A O +26 C CB . TRP A 14 ? 0.7535 0.8529 0.8383 0.0581 -0.0519 -0.0405 14 TRP A CB +27 C CG . TRP A 14 ? 0.8005 0.8913 0.8787 0.0587 -0.0490 -0.0386 14 TRP A CG +28 C CD1 . TRP A 14 ? 0.7356 0.8225 0.8103 0.0636 -0.0495 -0.0383 14 TRP A CD1 +29 C CD2 . TRP A 14 ? 0.6584 0.7434 0.7324 0.0541 -0.0453 -0.0367 14 TRP A CD2 +30 N NE1 . TRP A 14 ? 0.8234 0.9023 0.8921 0.0623 -0.0464 -0.0364 14 TRP A NE1 +31 C CE2 . TRP A 14 ? 0.7734 0.8512 0.8417 0.0565 -0.0438 -0.0354 14 TRP A CE2 +32 C CE3 . TRP A 14 ? 0.7566 0.8414 0.8310 0.0482 -0.0432 -0.0360 14 TRP A CE3 +33 C CZ2 . TRP A 14 ? 0.7219 0.7929 0.7851 0.0532 -0.0404 -0.0335 14 TRP A CZ2 +34 C CZ3 . TRP A 14 ? 0.6941 0.7721 0.7634 0.0452 -0.0398 -0.0341 14 TRP A CZ3 +35 C CH2 . TRP A 14 ? 0.6893 0.7606 0.7531 0.0477 -0.0385 -0.0329 14 TRP A CH2 +36 N N . GLU A 15 ? 0.7955 0.8807 0.8656 0.0653 -0.0608 -0.0374 15 GLU A N +37 C CA . GLU A 15 ? 0.8673 0.9425 0.9280 0.0687 -0.0632 -0.0352 15 GLU A CA +38 C C . GLU A 15 ? 0.9101 0.9791 0.9648 0.0659 -0.0647 -0.0331 15 GLU A C +39 O O . GLU A 15 ? 0.8641 0.9230 0.9101 0.0661 -0.0646 -0.0306 15 GLU A O +40 C CB . GLU A 15 ? 1.1387 1.2167 1.2007 0.0751 -0.0671 -0.0366 15 GLU A CB +41 C CG . GLU A 15 ? 1.6285 1.7089 1.6932 0.0792 -0.0659 -0.0379 15 GLU A CG +42 C CD . GLU A 15 ? 1.9001 1.9791 1.9624 0.0860 -0.0699 -0.0384 15 GLU A CD +43 O OE1 . GLU A 15 ? 1.8080 1.8876 1.8694 0.0874 -0.0739 -0.0385 15 GLU A OE1 +44 O OE2 . GLU A 15 ? 1.7996 1.8765 1.8605 0.0900 -0.0692 -0.0386 15 GLU A OE2 +45 N N . ARG A 16 ? 0.8537 0.9287 0.9130 0.0633 -0.0662 -0.0343 16 ARG A N +46 C CA . ARG A 16 ? 0.9421 1.0117 0.9962 0.0601 -0.0672 -0.0325 16 ARG A CA +47 C C . ARG A 16 ? 0.8564 0.9198 0.9064 0.0554 -0.0632 -0.0303 16 ARG A C +48 O O . ARG A 16 ? 0.7640 0.8183 0.8059 0.0546 -0.0634 -0.0278 16 ARG A O +49 C CB . ARG A 16 ? 0.8807 0.9585 0.9412 0.0577 -0.0690 -0.0344 16 ARG A CB +50 C CG . ARG A 16 ? 1.2512 1.3349 1.3153 0.0621 -0.0736 -0.0365 16 ARG A CG +51 C CD . ARG A 16 ? 1.2727 1.3603 1.3393 0.0594 -0.0759 -0.0374 16 ARG A CD +52 N NE . ARG A 16 ? 1.7727 1.8510 1.8304 0.0581 -0.0770 -0.0347 16 ARG A NE +53 C CZ . ARG A 16 ? 1.8574 1.9353 1.9146 0.0538 -0.0770 -0.0344 16 ARG A CZ +54 N NH1 . ARG A 16 ? 1.4778 1.5640 1.5427 0.0501 -0.0761 -0.0364 16 ARG A NH1 +55 N NH2 . ARG A 16 ? 1.9192 1.9882 1.9678 0.0532 -0.0779 -0.0319 16 ARG A NH2 +56 N N . PHE A 17 ? 0.7218 0.7901 0.7772 0.0521 -0.0596 -0.0313 17 PHE A N +57 C CA . PHE A 17 ? 0.7260 0.7887 0.7777 0.0477 -0.0559 -0.0294 17 PHE A CA +58 C C . PHE A 17 ? 0.7335 0.7870 0.7777 0.0499 -0.0548 -0.0273 17 PHE A C +59 O O . PHE A 17 ? 0.7410 0.7865 0.7785 0.0476 -0.0537 -0.0250 17 PHE A O +60 C CB . PHE A 17 ? 0.7158 0.7855 0.7747 0.0444 -0.0523 -0.0310 17 PHE A CB +61 C CG . PHE A 17 ? 0.9065 0.9709 0.9618 0.0399 -0.0484 -0.0292 17 PHE A CG +62 C CD1 . PHE A 17 ? 0.7919 0.8534 0.8447 0.0357 -0.0481 -0.0279 17 PHE A CD1 +63 C CD2 . PHE A 17 ? 0.6788 0.7409 0.7330 0.0402 -0.0451 -0.0289 17 PHE A CD2 +64 C CE1 . PHE A 17 ? 0.7972 0.8538 0.8466 0.0318 -0.0448 -0.0263 17 PHE A CE1 +65 C CE2 . PHE A 17 ? 0.8121 0.8694 0.8630 0.0363 -0.0418 -0.0273 17 PHE A CE2 +66 C CZ . PHE A 17 ? 0.7931 0.8477 0.8416 0.0321 -0.0417 -0.0260 17 PHE A CZ +67 N N . CYS A 18 ? 0.7323 0.7866 0.7772 0.0544 -0.0551 -0.0282 18 CYS A N +68 C CA . CYS A 18 ? 0.6973 0.7427 0.7351 0.0564 -0.0539 -0.0264 18 CYS A CA +69 C C . CYS A 18 ? 0.9128 0.9492 0.9420 0.0580 -0.0566 -0.0242 18 CYS A C +70 O O . CYS A 18 ? 0.7705 0.7982 0.7927 0.0569 -0.0552 -0.0219 18 CYS A O +71 C CB . CYS A 18 ? 0.6585 0.7068 0.6990 0.0611 -0.0539 -0.0279 18 CYS A CB +72 S SG . CYS A 18 ? 0.7785 0.8352 0.8274 0.0594 -0.0498 -0.0301 18 CYS A SG +73 N N . ASN A 19 ? 0.7780 0.8165 0.8077 0.0607 -0.0605 -0.0248 19 ASN A N +74 C CA . ASN A 19 ? 0.8999 0.9299 0.9213 0.0623 -0.0630 -0.0227 19 ASN A CA +75 C C . ASN A 19 ? 0.7781 0.8038 0.7957 0.0575 -0.0622 -0.0209 19 ASN A C +76 O O . ASN A 19 ? 0.7308 0.7476 0.7405 0.0576 -0.0626 -0.0185 19 ASN A O +77 C CB . ASN A 19 ? 0.8581 0.8917 0.8810 0.0665 -0.0675 -0.0240 19 ASN A CB +78 C CG . ASN A 19 ? 1.1751 1.2109 1.1998 0.0721 -0.0687 -0.0254 19 ASN A CG +79 O OD1 . ASN A 19 ? 1.0797 1.1122 1.1027 0.0733 -0.0664 -0.0250 19 ASN A OD1 +80 N ND2 . ASN A 19 ? 0.9396 0.9810 0.9678 0.0757 -0.0723 -0.0272 19 ASN A ND2 +81 N N . TRP A 20 ? 0.7191 0.7510 0.7422 0.0533 -0.0611 -0.0218 20 TRP A N +82 C CA . TRP A 20 ? 0.8017 0.8293 0.8212 0.0487 -0.0599 -0.0201 20 TRP A CA +83 C C . TRP A 20 ? 0.7930 0.8148 0.8089 0.0460 -0.0561 -0.0184 20 TRP A C +84 O O . TRP A 20 ? 0.7175 0.7315 0.7267 0.0445 -0.0557 -0.0161 20 TRP A O +85 C CB . TRP A 20 ? 0.6122 0.6475 0.6383 0.0449 -0.0597 -0.0216 20 TRP A CB +86 C CG . TRP A 20 ? 0.8572 0.8879 0.8794 0.0403 -0.0582 -0.0198 20 TRP A CG +87 C CD1 . TRP A 20 ? 0.6568 0.6827 0.6738 0.0397 -0.0602 -0.0184 20 TRP A CD1 +88 C CD2 . TRP A 20 ? 0.7024 0.7323 0.7252 0.0358 -0.0544 -0.0192 20 TRP A CD2 +89 N NE1 . TRP A 20 ? 0.7395 0.7622 0.7543 0.0352 -0.0579 -0.0170 20 TRP A NE1 +90 C CE2 . TRP A 20 ? 0.8417 0.8667 0.8599 0.0327 -0.0544 -0.0174 20 TRP A CE2 +91 C CE3 . TRP A 20 ? 0.7892 0.8222 0.8160 0.0341 -0.0511 -0.0199 20 TRP A CE3 +92 C CZ2 . TRP A 20 ? 0.7248 0.7478 0.7422 0.0283 -0.0514 -0.0164 20 TRP A CZ2 +93 C CZ3 . TRP A 20 ? 0.7068 0.7376 0.7325 0.0297 -0.0480 -0.0189 20 TRP A CZ3 +94 C CH2 . TRP A 20 ? 0.7961 0.8220 0.8172 0.0269 -0.0482 -0.0171 20 TRP A CH2 +95 N N . VAL A 21 ? 0.6525 0.6780 0.6727 0.0454 -0.0534 -0.0195 21 VAL A N +96 C CA . VAL A 21 ? 0.7063 0.7266 0.7232 0.0429 -0.0499 -0.0180 21 VAL A CA +97 C C . VAL A 21 ? 0.7569 0.7676 0.7656 0.0453 -0.0503 -0.0160 21 VAL A C +98 O O . VAL A 21 ? 0.7211 0.7250 0.7244 0.0428 -0.0489 -0.0140 21 VAL A O +99 C CB . VAL A 21 ? 0.8107 0.8364 0.8332 0.0428 -0.0470 -0.0197 21 VAL A CB +100 C CG1 . VAL A 21 ? 0.6863 0.7054 0.7041 0.0415 -0.0439 -0.0182 21 VAL A CG1 +101 C CG2 . VAL A 21 ? 0.6880 0.7218 0.7176 0.0391 -0.0456 -0.0213 21 VAL A CG2 +102 N N . THR A 22 ? 0.7326 0.7424 0.7402 0.0502 -0.0524 -0.0165 22 THR A N +103 C CA . THR A 22 ? 0.6361 0.6368 0.6361 0.0528 -0.0527 -0.0147 22 THR A CA +104 C C . THR A 22 ? 0.7249 0.7198 0.7188 0.0543 -0.0556 -0.0132 22 THR A C +105 O O . THR A 22 ? 0.6997 0.6871 0.6872 0.0569 -0.0563 -0.0119 22 THR A O +106 C CB . THR A 22 ? 0.8127 0.8145 0.8140 0.0575 -0.0530 -0.0160 22 THR A CB +107 O OG1 . THR A 22 ? 0.7134 0.7210 0.7185 0.0612 -0.0562 -0.0177 22 THR A OG1 +108 C CG2 . THR A 22 ? 0.5970 0.6035 0.6034 0.0562 -0.0497 -0.0174 22 THR A CG2 +109 N N . SER A 23 ? 0.6860 0.6839 0.6814 0.0527 -0.0574 -0.0134 23 SER A N +110 C CA . SER A 23 ? 0.6943 0.6873 0.6841 0.0543 -0.0603 -0.0121 23 SER A CA +111 C C . SER A 23 ? 0.8057 0.7889 0.7874 0.0523 -0.0591 -0.0094 23 SER A C +112 O O . SER A 23 ? 0.7602 0.7423 0.7417 0.0480 -0.0566 -0.0085 23 SER A O +113 C CB . SER A 23 ? 0.7144 0.7131 0.7079 0.0526 -0.0622 -0.0130 23 SER A CB +114 O OG . SER A 23 ? 0.7443 0.7371 0.7314 0.0530 -0.0643 -0.0114 23 SER A OG +115 N N . THR A 24 ? 0.7326 0.7088 0.7077 0.0555 -0.0609 -0.0080 24 THR A N +116 C CA . THR A 24 ? 0.6831 0.6499 0.6503 0.0539 -0.0600 -0.0055 24 THR A CA +117 C C . THR A 24 ? 0.6926 0.6581 0.6574 0.0519 -0.0614 -0.0045 24 THR A C +118 O O . THR A 24 ? 0.7750 0.7329 0.7331 0.0507 -0.0609 -0.0023 24 THR A O +119 C CB . THR A 24 ? 0.7710 0.7302 0.7317 0.0580 -0.0611 -0.0044 24 THR A CB +120 O OG1 . THR A 24 ? 0.8396 0.8012 0.8009 0.0624 -0.0646 -0.0055 24 THR A OG1 +121 C CG2 . THR A 24 ? 0.7559 0.7141 0.7174 0.0592 -0.0591 -0.0049 24 THR A CG2 +122 N N . ASP A 25 ? 0.6325 0.6053 0.6024 0.0515 -0.0631 -0.0060 25 ASP A N +123 C CA . ASP A 25 ? 0.7373 0.7090 0.7049 0.0497 -0.0645 -0.0052 25 ASP A CA +124 C C . ASP A 25 ? 0.7141 0.6893 0.6852 0.0446 -0.0624 -0.0053 25 ASP A C +125 O O . ASP A 25 ? 0.7600 0.7337 0.7288 0.0428 -0.0631 -0.0045 25 ASP A O +126 C CB . ASP A 25 ? 0.8435 0.8199 0.8133 0.0529 -0.0683 -0.0067 25 ASP A CB +127 C CG . ASP A 25 ? 0.9476 0.9199 0.9132 0.0583 -0.0707 -0.0065 25 ASP A CG +128 O OD1 . ASP A 25 ? 1.0619 1.0262 1.0211 0.0594 -0.0697 -0.0047 25 ASP A OD1 +129 O OD2 . ASP A 25 ? 1.2567 1.2341 1.2254 0.0615 -0.0737 -0.0082 25 ASP A OD2 +130 N N . ASN A 26 ? 0.7318 0.7116 0.7082 0.0424 -0.0599 -0.0063 26 ASN A N +131 C CA . ASN A 26 ? 0.7481 0.7302 0.7270 0.0376 -0.0578 -0.0062 26 ASN A CA +132 C C . ASN A 26 ? 0.7979 0.7721 0.7704 0.0351 -0.0560 -0.0038 26 ASN A C +133 O O . ASN A 26 ? 0.7059 0.6741 0.6740 0.0361 -0.0549 -0.0025 26 ASN A O +134 C CB . ASN A 26 ? 0.6881 0.6760 0.6734 0.0360 -0.0553 -0.0077 26 ASN A CB +135 C CG . ASN A 26 ? 0.7674 0.7644 0.7602 0.0374 -0.0568 -0.0103 26 ASN A CG +136 O OD1 . ASN A 26 ? 0.8404 0.8405 0.8347 0.0378 -0.0592 -0.0111 26 ASN A OD1 +137 N ND2 . ASN A 26 ? 0.7275 0.7289 0.7250 0.0382 -0.0553 -0.0117 26 ASN A ND2 +138 N N . ARG A 27 ? 0.6697 0.6440 0.6418 0.0318 -0.0557 -0.0032 27 ARG A N +139 C CA . ARG A 27 ? 0.7340 0.7016 0.7005 0.0292 -0.0540 -0.0010 27 ARG A CA +140 C C . ARG A 27 ? 0.7375 0.7031 0.7040 0.0274 -0.0509 -0.0004 27 ARG A C +141 O O . ARG A 27 ? 0.6663 0.6251 0.6274 0.0271 -0.0498 0.0014 27 ARG A O +142 C CB . ARG A 27 ? 0.6019 0.5713 0.5692 0.0259 -0.0540 -0.0009 27 ARG A CB +143 C CG . ARG A 27 ? 0.6639 0.6273 0.6263 0.0231 -0.0522 0.0012 27 ARG A CG +144 C CD . ARG A 27 ? 0.6344 0.5902 0.5896 0.0252 -0.0531 0.0031 27 ARG A CD +145 N NE . ARG A 27 ? 0.7582 0.7086 0.7089 0.0224 -0.0513 0.0050 27 ARG A NE +146 C CZ . ARG A 27 ? 0.6890 0.6359 0.6380 0.0210 -0.0490 0.0060 27 ARG A CZ +147 N NH1 . ARG A 27 ? 0.6304 0.5778 0.5812 0.0221 -0.0480 0.0054 27 ARG A NH1 +148 N NH2 . ARG A 27 ? 0.6282 0.5710 0.5738 0.0184 -0.0475 0.0076 27 ARG A NH2 +149 N N . LEU A 28 ? 0.6327 0.6041 0.6051 0.0261 -0.0494 -0.0019 28 LEU A N +150 C CA . LEU A 28 ? 0.6345 0.6046 0.6072 0.0251 -0.0467 -0.0017 28 LEU A CA +151 C C . LEU A 28 ? 0.6306 0.6050 0.6075 0.0280 -0.0470 -0.0035 28 LEU A C +152 O O . LEU A 28 ? 0.7182 0.6997 0.7008 0.0284 -0.0478 -0.0053 28 LEU A O +153 C CB . LEU A 28 ? 0.6020 0.5748 0.5777 0.0208 -0.0442 -0.0019 28 LEU A CB +154 C CG . LEU A 28 ? 0.8072 0.7766 0.7795 0.0178 -0.0438 -0.0003 28 LEU A CG +155 C CD1 . LEU A 28 ? 0.8492 0.8217 0.8247 0.0139 -0.0416 -0.0007 28 LEU A CD1 +156 C CD2 . LEU A 28 ? 0.6804 0.6418 0.6462 0.0179 -0.0432 0.0017 28 LEU A CD2 +157 N N . TYR A 29 ? 0.6549 0.6251 0.6290 0.0301 -0.0463 -0.0030 29 TYR A N +158 C CA . TYR A 29 ? 0.5965 0.5704 0.5741 0.0332 -0.0465 -0.0046 29 TYR A CA +159 C C . TYR A 29 ? 0.6366 0.6166 0.6203 0.0308 -0.0441 -0.0061 29 TYR A C +160 O O . TYR A 29 ? 0.6462 0.6244 0.6290 0.0276 -0.0417 -0.0053 29 TYR A O +161 C CB . TYR A 29 ? 0.6632 0.6305 0.6359 0.0357 -0.0462 -0.0037 29 TYR A CB +162 C CG . TYR A 29 ? 0.6987 0.6694 0.6747 0.0392 -0.0464 -0.0054 29 TYR A CG +163 C CD1 . TYR A 29 ? 0.6597 0.6331 0.6371 0.0432 -0.0492 -0.0065 29 TYR A CD1 +164 C CD2 . TYR A 29 ? 0.6134 0.5850 0.5913 0.0386 -0.0438 -0.0061 29 TYR A CD2 +165 C CE1 . TYR A 29 ? 0.6617 0.6386 0.6424 0.0466 -0.0494 -0.0081 29 TYR A CE1 +166 C CE2 . TYR A 29 ? 0.6194 0.5941 0.6003 0.0420 -0.0439 -0.0077 29 TYR A CE2 +167 C CZ . TYR A 29 ? 0.6988 0.6765 0.6814 0.0460 -0.0467 -0.0088 29 TYR A CZ +168 O OH . TYR A 29 ? 0.6741 0.6554 0.6600 0.0495 -0.0469 -0.0105 29 TYR A OH +169 N N . VAL A 30 ? 0.6401 0.6273 0.6298 0.0325 -0.0448 -0.0082 30 VAL A N +170 C CA . VAL A 30 ? 0.6304 0.6236 0.6260 0.0305 -0.0424 -0.0096 30 VAL A CA +171 C C . VAL A 30 ? 0.6797 0.6720 0.6752 0.0329 -0.0410 -0.0102 30 VAL A C +172 O O . VAL A 30 ? 0.6329 0.6207 0.6254 0.0315 -0.0388 -0.0092 30 VAL A O +173 C CB . VAL A 30 ? 0.7198 0.7220 0.7225 0.0304 -0.0435 -0.0118 30 VAL A CB +174 C CG1 . VAL A 30 ? 0.6736 0.6817 0.6822 0.0283 -0.0407 -0.0133 30 VAL A CG1 +175 C CG2 . VAL A 30 ? 0.6315 0.6341 0.6338 0.0278 -0.0447 -0.0112 30 VAL A CG2 +176 N N . GLY A 31 ? 0.6485 0.6448 0.6472 0.0367 -0.0425 -0.0118 31 GLY A N +177 C CA . GLY A 31 ? 0.6083 0.6038 0.6071 0.0395 -0.0414 -0.0124 31 GLY A CA +178 C C . GLY A 31 ? 0.6586 0.6598 0.6629 0.0376 -0.0384 -0.0139 31 GLY A C +179 O O . GLY A 31 ? 0.6835 0.6880 0.6907 0.0337 -0.0369 -0.0141 31 GLY A O +180 N N . TRP A 32 ? 0.6257 0.6278 0.6312 0.0405 -0.0376 -0.0150 32 TRP A N +181 C CA . TRP A 32 ? 0.6970 0.7047 0.7078 0.0392 -0.0347 -0.0165 32 TRP A CA +182 C C . TRP A 32 ? 0.6404 0.6440 0.6483 0.0352 -0.0316 -0.0153 32 TRP A C +183 O O . TRP A 32 ? 0.6645 0.6727 0.6764 0.0321 -0.0294 -0.0161 32 TRP A O +184 C CB . TRP A 32 ? 0.6821 0.6912 0.6944 0.0435 -0.0345 -0.0179 32 TRP A CB +185 C CG . TRP A 32 ? 0.7663 0.7807 0.7824 0.0472 -0.0375 -0.0194 32 TRP A CG +186 C CD1 . TRP A 32 ? 0.6563 0.6674 0.6694 0.0519 -0.0400 -0.0193 32 TRP A CD1 +187 C CD2 . TRP A 32 ? 0.6912 0.7147 0.7147 0.0465 -0.0385 -0.0211 32 TRP A CD2 +188 N NE1 . TRP A 32 ? 0.7658 0.7838 0.7839 0.0544 -0.0426 -0.0209 32 TRP A NE1 +189 C CE2 . TRP A 32 ? 0.7542 0.7799 0.7788 0.0510 -0.0418 -0.0221 32 TRP A CE2 +190 C CE3 . TRP A 32 ? 0.7306 0.7604 0.7595 0.0425 -0.0369 -0.0220 32 TRP A CE3 +191 C CZ2 . TRP A 32 ? 0.6636 0.6982 0.6952 0.0517 -0.0437 -0.0240 32 TRP A CZ2 +192 C CZ3 . TRP A 32 ? 0.7069 0.7453 0.7426 0.0429 -0.0386 -0.0239 32 TRP A CZ3 +193 C CH2 . TRP A 32 ? 0.6512 0.6920 0.6883 0.0475 -0.0420 -0.0249 32 TRP A CH2 +194 N N . PHE A 33 ? 0.6740 0.6690 0.6749 0.0351 -0.0314 -0.0135 33 PHE A N +195 C CA . PHE A 33 ? 0.6926 0.6839 0.6906 0.0313 -0.0289 -0.0122 33 PHE A CA +196 C C . PHE A 33 ? 0.6471 0.6402 0.6463 0.0273 -0.0289 -0.0116 33 PHE A C +197 O O . PHE A 33 ? 0.6541 0.6490 0.6550 0.0239 -0.0266 -0.0117 33 PHE A O +198 C CB . PHE A 33 ? 0.6514 0.6333 0.6419 0.0319 -0.0290 -0.0104 33 PHE A CB +199 C CG . PHE A 33 ? 0.6844 0.6637 0.6732 0.0345 -0.0279 -0.0110 33 PHE A CG +200 C CD1 . PHE A 33 ? 0.6136 0.5937 0.6035 0.0329 -0.0249 -0.0116 33 PHE A CD1 +201 C CD2 . PHE A 33 ? 0.6104 0.5863 0.5965 0.0387 -0.0297 -0.0110 33 PHE A CD2 +202 C CE1 . PHE A 33 ? 0.6766 0.6541 0.6647 0.0354 -0.0238 -0.0122 33 PHE A CE1 +203 C CE2 . PHE A 33 ? 0.7132 0.6864 0.6975 0.0413 -0.0286 -0.0115 33 PHE A CE2 +204 C CZ . PHE A 33 ? 0.7879 0.7620 0.7734 0.0396 -0.0257 -0.0122 33 PHE A CZ +205 N N . GLY A 34 ? 0.5949 0.5877 0.5933 0.0277 -0.0316 -0.0110 34 GLY A N +206 C CA . GLY A 34 ? 0.6709 0.6653 0.6703 0.0242 -0.0318 -0.0105 34 GLY A CA +207 C C . GLY A 34 ? 0.6152 0.6178 0.6215 0.0222 -0.0307 -0.0122 34 GLY A C +208 O O . GLY A 34 ? 0.6291 0.6325 0.6360 0.0186 -0.0299 -0.0118 34 GLY A O +209 N N . VAL A 35 ? 0.7271 0.7357 0.7386 0.0246 -0.0307 -0.0142 35 VAL A N +210 C CA . VAL A 35 ? 0.6148 0.6315 0.6333 0.0227 -0.0295 -0.0160 35 VAL A CA +211 C C . VAL A 35 ? 0.6625 0.6789 0.6812 0.0193 -0.0258 -0.0159 35 VAL A C +212 O O . VAL A 35 ? 0.6531 0.6740 0.6757 0.0162 -0.0244 -0.0166 35 VAL A O +213 C CB . VAL A 35 ? 0.7561 0.7792 0.7800 0.0264 -0.0304 -0.0182 35 VAL A CB +214 C CG1 . VAL A 35 ? 0.6937 0.7247 0.7246 0.0248 -0.0280 -0.0202 35 VAL A CG1 +215 C CG2 . VAL A 35 ? 0.7085 0.7340 0.7337 0.0287 -0.0342 -0.0186 35 VAL A CG2 +216 N N . ILE A 36 ? 0.6112 0.6222 0.6257 0.0199 -0.0242 -0.0150 36 ILE A N +217 C CA . ILE A 36 ? 0.6158 0.6251 0.6291 0.0167 -0.0209 -0.0145 36 ILE A CA +218 C C . ILE A 36 ? 0.5977 0.6007 0.6055 0.0139 -0.0210 -0.0124 36 ILE A C +219 O O . ILE A 36 ? 0.6430 0.6464 0.6511 0.0103 -0.0191 -0.0121 36 ILE A O +220 C CB . ILE A 36 ? 0.6442 0.6512 0.6558 0.0188 -0.0191 -0.0148 36 ILE A CB +221 C CG1 . ILE A 36 ? 0.7779 0.7912 0.7949 0.0221 -0.0192 -0.0170 36 ILE A CG1 +222 C CG2 . ILE A 36 ? 0.5947 0.6006 0.6054 0.0156 -0.0156 -0.0146 36 ILE A CG2 +223 C CD1 . ILE A 36 ? 0.7090 0.7305 0.7330 0.0201 -0.0171 -0.0188 36 ILE A CD1 +224 N N . MET A 37 ? 0.6285 0.6258 0.6313 0.0154 -0.0230 -0.0110 37 MET A N +225 C CA . MET A 37 ? 0.6804 0.6716 0.6780 0.0130 -0.0231 -0.0090 37 MET A CA +226 C C . MET A 37 ? 0.6667 0.6604 0.6661 0.0098 -0.0234 -0.0087 37 MET A C +227 O O . MET A 37 ? 0.6191 0.6106 0.6165 0.0067 -0.0218 -0.0078 37 MET A O +228 C CB . MET A 37 ? 0.6623 0.6478 0.6549 0.0154 -0.0255 -0.0077 37 MET A CB +229 C CG . MET A 37 ? 0.6055 0.5846 0.5927 0.0130 -0.0252 -0.0057 37 MET A CG +230 S SD . MET A 37 ? 0.6748 0.6477 0.6566 0.0153 -0.0279 -0.0042 37 MET A SD +231 C CE . MET A 37 ? 0.6383 0.6155 0.6229 0.0155 -0.0305 -0.0045 37 MET A CE +232 N N . ILE A 38 ? 0.7066 0.7047 0.7093 0.0107 -0.0255 -0.0096 38 ILE A N +233 C CA . ILE A 38 ? 0.6181 0.6173 0.6215 0.0080 -0.0262 -0.0092 38 ILE A CA +234 C C . ILE A 38 ? 0.6806 0.6833 0.6871 0.0044 -0.0237 -0.0099 38 ILE A C +235 O O . ILE A 38 ? 0.6408 0.6406 0.6447 0.0015 -0.0229 -0.0087 38 ILE A O +236 C CB . ILE A 38 ? 0.6577 0.6606 0.6636 0.0098 -0.0292 -0.0100 38 ILE A CB +237 C CG1 . ILE A 38 ? 0.6272 0.6247 0.6282 0.0126 -0.0316 -0.0088 38 ILE A CG1 +238 C CG2 . ILE A 38 ? 0.5678 0.5731 0.5755 0.0068 -0.0297 -0.0101 38 ILE A CG2 +239 C CD1 . ILE A 38 ? 0.6307 0.6314 0.6337 0.0152 -0.0348 -0.0096 38 ILE A CD1 +240 N N . PRO A 39 ? 0.6321 0.6408 0.6441 0.0045 -0.0223 -0.0117 39 PRO A N +241 C CA . PRO A 39 ? 0.6763 0.6877 0.6907 0.0009 -0.0196 -0.0122 39 PRO A CA +242 C C . PRO A 39 ? 0.6493 0.6557 0.6596 -0.0010 -0.0171 -0.0109 39 PRO A C +243 O O . PRO A 39 ? 0.6374 0.6429 0.6469 -0.0042 -0.0157 -0.0104 39 PRO A O +244 C CB . PRO A 39 ? 0.6149 0.6337 0.6360 0.0018 -0.0186 -0.0144 39 PRO A CB +245 C CG . PRO A 39 ? 0.6964 0.7173 0.7191 0.0057 -0.0213 -0.0152 39 PRO A CG +246 C CD . PRO A 39 ? 0.6977 0.7113 0.7139 0.0077 -0.0228 -0.0134 39 PRO A CD +247 N N . THR A 40 ? 0.6449 0.6478 0.6523 0.0011 -0.0164 -0.0105 40 THR A N +248 C CA . THR A 40 ? 0.5836 0.5819 0.5870 -0.0006 -0.0141 -0.0095 40 THR A CA +249 C C . THR A 40 ? 0.6250 0.6173 0.6231 -0.0022 -0.0149 -0.0076 40 THR A C +250 O O . THR A 40 ? 0.5863 0.5764 0.5824 -0.0049 -0.0133 -0.0068 40 THR A O +251 C CB . THR A 40 ? 0.6156 0.6116 0.6172 0.0020 -0.0133 -0.0097 40 THR A CB +252 O OG1 . THR A 40 ? 0.6236 0.6165 0.6227 0.0050 -0.0158 -0.0091 40 THR A OG1 +253 C CG2 . THR A 40 ? 0.5703 0.5722 0.5771 0.0032 -0.0116 -0.0118 40 THR A CG2 +254 N N . LEU A 41 ? 0.6049 0.5945 0.6007 -0.0005 -0.0175 -0.0067 41 LEU A N +255 C CA . LEU A 41 ? 0.6047 0.5889 0.5956 -0.0020 -0.0183 -0.0049 41 LEU A CA +256 C C . LEU A 41 ? 0.6312 0.6173 0.6234 -0.0048 -0.0183 -0.0047 41 LEU A C +257 O O . LEU A 41 ? 0.6448 0.6274 0.6340 -0.0071 -0.0177 -0.0035 41 LEU A O +258 C CB . LEU A 41 ? 0.5661 0.5469 0.5541 0.0004 -0.0208 -0.0040 41 LEU A CB +259 C CG . LEU A 41 ? 0.6748 0.6514 0.6595 0.0028 -0.0208 -0.0036 41 LEU A CG +260 C CD1 . LEU A 41 ? 0.6113 0.5839 0.5926 0.0046 -0.0231 -0.0025 41 LEU A CD1 +261 C CD2 . LEU A 41 ? 0.5834 0.5558 0.5647 0.0011 -0.0187 -0.0028 41 LEU A CD2 +262 N N . LEU A 42 ? 0.5893 0.5808 0.5862 -0.0047 -0.0193 -0.0060 42 LEU A N +263 C CA . LEU A 42 ? 0.5800 0.5734 0.5783 -0.0075 -0.0193 -0.0060 42 LEU A CA +264 C C . LEU A 42 ? 0.6009 0.5948 0.5998 -0.0104 -0.0164 -0.0061 42 LEU A C +265 O O . LEU A 42 ? 0.6847 0.6763 0.6814 -0.0129 -0.0159 -0.0052 42 LEU A O +266 C CB . LEU A 42 ? 0.5810 0.5803 0.5843 -0.0068 -0.0209 -0.0075 42 LEU A CB +267 C CG . LEU A 42 ? 0.7714 0.7697 0.7734 -0.0046 -0.0241 -0.0071 42 LEU A CG +268 C CD1 . LEU A 42 ? 0.6970 0.7018 0.7044 -0.0034 -0.0258 -0.0089 42 LEU A CD1 +269 C CD2 . LEU A 42 ? 0.7661 0.7605 0.7643 -0.0065 -0.0250 -0.0056 42 LEU A CD2 +270 N N . ALA A 43 ? 0.6077 0.6046 0.6094 -0.0101 -0.0145 -0.0073 43 ALA A N +271 C CA . ALA A 43 ? 0.6457 0.6428 0.6477 -0.0128 -0.0115 -0.0075 43 ALA A CA +272 C C . ALA A 43 ? 0.6488 0.6395 0.6450 -0.0138 -0.0106 -0.0058 43 ALA A C +273 O O . ALA A 43 ? 0.6114 0.6004 0.6059 -0.0164 -0.0094 -0.0051 43 ALA A O +274 C CB . ALA A 43 ? 0.5698 0.5710 0.5754 -0.0118 -0.0096 -0.0090 43 ALA A CB +275 N N . ALA A 44 ? 0.5860 0.5730 0.5789 -0.0116 -0.0112 -0.0051 44 ALA A N +276 C CA . ALA A 44 ? 0.5801 0.5613 0.5678 -0.0125 -0.0104 -0.0036 44 ALA A CA +277 C C . ALA A 44 ? 0.5462 0.5242 0.5310 -0.0140 -0.0118 -0.0022 44 ALA A C +278 O O . ALA A 44 ? 0.6019 0.5768 0.5837 -0.0159 -0.0108 -0.0013 44 ALA A O +279 C CB . ALA A 44 ? 0.5770 0.5549 0.5620 -0.0100 -0.0109 -0.0033 44 ALA A CB +280 N N . THR A 45 ? 0.5694 0.5482 0.5548 -0.0129 -0.0142 -0.0021 45 THR A N +281 C CA . THR A 45 ? 0.5480 0.5239 0.5307 -0.0140 -0.0156 -0.0007 45 THR A CA +282 C C . THR A 45 ? 0.6148 0.5923 0.5987 -0.0168 -0.0147 -0.0009 45 THR A C +283 O O . THR A 45 ? 0.6218 0.5960 0.6026 -0.0185 -0.0144 0.0003 45 THR A O +284 C CB . THR A 45 ? 0.5386 0.5149 0.5216 -0.0120 -0.0182 -0.0007 45 THR A CB +285 O OG1 . THR A 45 ? 0.6393 0.6132 0.6205 -0.0094 -0.0190 -0.0004 45 THR A OG1 +286 C CG2 . THR A 45 ? 0.5695 0.5429 0.5496 -0.0131 -0.0196 0.0007 45 THR A CG2 +287 N N . ILE A 46 ? 0.6048 0.5873 0.5932 -0.0173 -0.0143 -0.0023 46 ILE A N +288 C CA . ILE A 46 ? 0.5267 0.5105 0.5162 -0.0201 -0.0136 -0.0025 46 ILE A CA +289 C C . ILE A 46 ? 0.6017 0.5833 0.5892 -0.0222 -0.0110 -0.0020 46 ILE A C +290 O O . ILE A 46 ? 0.6104 0.5896 0.5956 -0.0242 -0.0106 -0.0012 46 ILE A O +291 C CB . ILE A 46 ? 0.5309 0.5209 0.5261 -0.0203 -0.0137 -0.0042 46 ILE A CB +292 C CG1 . ILE A 46 ? 0.5986 0.5902 0.5950 -0.0187 -0.0167 -0.0045 46 ILE A CG1 +293 C CG2 . ILE A 46 ? 0.5325 0.5236 0.5287 -0.0235 -0.0122 -0.0046 46 ILE A CG2 +294 C CD1 . ILE A 46 ? 0.7122 0.7099 0.7141 -0.0174 -0.0174 -0.0064 46 ILE A CD1 +295 N N . CYS A 47 ? 0.5948 0.5771 0.5830 -0.0216 -0.0092 -0.0026 47 CYS A N +296 C CA . CYS A 47 ? 0.6260 0.6060 0.6119 -0.0234 -0.0067 -0.0022 47 CYS A CA +297 C C . CYS A 47 ? 0.5343 0.5085 0.5148 -0.0236 -0.0071 -0.0006 47 CYS A C +298 O O . CYS A 47 ? 0.6109 0.5826 0.5889 -0.0255 -0.0061 0.0002 47 CYS A O +299 C CB . CYS A 47 ? 0.5733 0.5550 0.5607 -0.0225 -0.0047 -0.0032 47 CYS A CB +300 S SG . CYS A 47 ? 0.6285 0.6079 0.6134 -0.0248 -0.0014 -0.0030 47 CYS A SG +301 N N . PHE A 48 ? 0.5805 0.5525 0.5591 -0.0215 -0.0087 0.0000 48 PHE A N +302 C CA . PHE A 48 ? 0.5602 0.5271 0.5340 -0.0216 -0.0091 0.0015 48 PHE A CA +303 C C . PHE A 48 ? 0.5315 0.4969 0.5038 -0.0231 -0.0101 0.0025 48 PHE A C +304 O O . PHE A 48 ? 0.5763 0.5387 0.5456 -0.0245 -0.0093 0.0033 48 PHE A O +305 C CB . PHE A 48 ? 0.5708 0.5359 0.5433 -0.0192 -0.0107 0.0019 48 PHE A CB +306 C CG . PHE A 48 ? 0.6077 0.5680 0.5758 -0.0194 -0.0114 0.0033 48 PHE A CG +307 C CD1 . PHE A 48 ? 0.6141 0.5712 0.5792 -0.0199 -0.0103 0.0038 48 PHE A CD1 +308 C CD2 . PHE A 48 ? 0.5833 0.5423 0.5503 -0.0193 -0.0133 0.0042 48 PHE A CD2 +309 C CE1 . PHE A 48 ? 0.5626 0.5157 0.5240 -0.0202 -0.0110 0.0050 48 PHE A CE1 +310 C CE2 . PHE A 48 ? 0.6876 0.6427 0.6510 -0.0196 -0.0139 0.0055 48 PHE A CE2 +311 C CZ . PHE A 48 ? 0.5900 0.5423 0.5508 -0.0201 -0.0128 0.0058 48 PHE A CZ +312 N N . VAL A 49 ? 0.5610 0.5285 0.5353 -0.0228 -0.0118 0.0023 49 VAL A N +313 C CA . VAL A 49 ? 0.5949 0.5609 0.5677 -0.0240 -0.0128 0.0031 49 VAL A CA +314 C C . VAL A 49 ? 0.6188 0.5850 0.5916 -0.0265 -0.0111 0.0030 49 VAL A C +315 O O . VAL A 49 ? 0.5809 0.5439 0.5506 -0.0277 -0.0109 0.0040 49 VAL A O +316 C CB . VAL A 49 ? 0.6061 0.5745 0.5810 -0.0231 -0.0148 0.0027 49 VAL A CB +317 C CG1 . VAL A 49 ? 0.6070 0.5744 0.5808 -0.0245 -0.0156 0.0033 49 VAL A CG1 +318 C CG2 . VAL A 49 ? 0.5921 0.5589 0.5656 -0.0208 -0.0165 0.0033 49 VAL A CG2 +319 N N . ILE A 50 ? 0.5828 0.5526 0.5591 -0.0273 -0.0099 0.0017 50 ILE A N +320 C CA . ILE A 50 ? 0.5662 0.5360 0.5424 -0.0298 -0.0081 0.0015 50 ILE A CA +321 C C . ILE A 50 ? 0.6268 0.5929 0.5993 -0.0304 -0.0063 0.0023 50 ILE A C +322 O O . ILE A 50 ? 0.6212 0.5844 0.5909 -0.0319 -0.0057 0.0031 50 ILE A O +323 C CB . ILE A 50 ? 0.6046 0.5793 0.5856 -0.0305 -0.0069 -0.0001 50 ILE A CB +324 C CG1 . ILE A 50 ? 0.6698 0.6482 0.6543 -0.0300 -0.0090 -0.0010 50 ILE A CG1 +325 C CG2 . ILE A 50 ? 0.5718 0.5461 0.5524 -0.0332 -0.0048 -0.0003 50 ILE A CG2 +326 C CD1 . ILE A 50 ? 0.7711 0.7550 0.7610 -0.0307 -0.0080 -0.0028 50 ILE A CD1 +327 N N . ALA A 51 ? 0.6081 0.5740 0.5803 -0.0292 -0.0055 0.0021 51 ALA A N +328 C CA . ALA A 51 ? 0.6359 0.5983 0.6045 -0.0298 -0.0038 0.0027 51 ALA A CA +329 C C . ALA A 51 ? 0.5314 0.4894 0.4956 -0.0296 -0.0050 0.0041 51 ALA A C +330 O O . ALA A 51 ? 0.5804 0.5354 0.5415 -0.0308 -0.0041 0.0048 51 ALA A O +331 C CB . ALA A 51 ? 0.5555 0.5185 0.5245 -0.0284 -0.0027 0.0021 51 ALA A CB +332 N N . PHE A 52 ? 0.5644 0.5220 0.5285 -0.0281 -0.0071 0.0046 52 PHE A N +333 C CA . PHE A 52 ? 0.5301 0.4840 0.4906 -0.0278 -0.0082 0.0058 52 PHE A CA +334 C C . PHE A 52 ? 0.6008 0.5534 0.5599 -0.0293 -0.0084 0.0065 52 PHE A C +335 O O . PHE A 52 ? 0.6253 0.5747 0.5811 -0.0298 -0.0084 0.0074 52 PHE A O +336 C CB . PHE A 52 ? 0.5984 0.5523 0.5593 -0.0261 -0.0102 0.0062 52 PHE A CB +337 C CG . PHE A 52 ? 0.5702 0.5204 0.5276 -0.0258 -0.0111 0.0073 52 PHE A CG +338 C CD1 . PHE A 52 ? 0.5344 0.4826 0.4900 -0.0250 -0.0108 0.0074 52 PHE A CD1 +339 C CD2 . PHE A 52 ? 0.5214 0.4703 0.4775 -0.0263 -0.0121 0.0082 52 PHE A CD2 +340 C CE1 . PHE A 52 ? 0.5851 0.5301 0.5377 -0.0249 -0.0116 0.0084 52 PHE A CE1 +341 C CE2 . PHE A 52 ? 0.6499 0.5958 0.6030 -0.0261 -0.0128 0.0092 52 PHE A CE2 +342 C CZ . PHE A 52 ? 0.5516 0.4957 0.5032 -0.0255 -0.0126 0.0093 52 PHE A CZ +343 N N . ILE A 53 ? 0.6341 0.5892 0.5957 -0.0301 -0.0087 0.0060 53 ILE A N +344 C CA . ILE A 53 ? 0.6104 0.5642 0.5708 -0.0315 -0.0090 0.0065 53 ILE A CA +345 C C . ILE A 53 ? 0.6338 0.5865 0.5929 -0.0333 -0.0069 0.0064 53 ILE A C +346 O O . ILE A 53 ? 0.6183 0.5679 0.5743 -0.0341 -0.0068 0.0072 53 ILE A O +347 C CB . ILE A 53 ? 0.6376 0.5942 0.6008 -0.0316 -0.0102 0.0059 53 ILE A CB +348 C CG1 . ILE A 53 ? 0.6330 0.5899 0.5965 -0.0297 -0.0123 0.0063 53 ILE A CG1 +349 C CG2 . ILE A 53 ? 0.5818 0.5371 0.5437 -0.0332 -0.0102 0.0062 53 ILE A CG2 +350 C CD1 . ILE A 53 ? 0.5989 0.5587 0.5652 -0.0295 -0.0137 0.0056 53 ILE A CD1 +351 N N . ALA A 54 ? 0.6000 0.5550 0.5615 -0.0340 -0.0053 0.0054 54 ALA A N +352 C CA . ALA A 54 ? 0.6343 0.5886 0.5951 -0.0361 -0.0033 0.0051 54 ALA A CA +353 C C . ALA A 54 ? 0.6709 0.6247 0.6309 -0.0366 -0.0010 0.0048 54 ALA A C +354 O O . ALA A 54 ? 0.6268 0.5797 0.5860 -0.0384 0.0009 0.0046 54 ALA A O +355 C CB . ALA A 54 ? 0.5792 0.5370 0.5438 -0.0374 -0.0033 0.0041 54 ALA A CB +356 N N . ALA A 55 ? 0.5962 0.5505 0.5564 -0.0351 -0.0008 0.0046 55 ALA A N +357 C CA . ALA A 55 ? 0.6131 0.5670 0.5726 -0.0355 0.0016 0.0041 55 ALA A CA +358 C C . ALA A 55 ? 0.6889 0.6380 0.6432 -0.0364 0.0026 0.0051 55 ALA A C +359 O O . ALA A 55 ? 0.5765 0.5226 0.5277 -0.0356 0.0012 0.0061 55 ALA A O +360 C CB . ALA A 55 ? 0.5064 0.4614 0.4668 -0.0336 0.0015 0.0037 55 ALA A CB +361 N N . PRO A 56 ? 0.6444 0.5927 0.5977 -0.0378 0.0051 0.0048 56 PRO A N +362 C CA . PRO A 56 ? 0.6366 0.5799 0.5844 -0.0384 0.0061 0.0058 56 PRO A CA +363 C C . PRO A 56 ? 0.6314 0.5729 0.5767 -0.0369 0.0063 0.0060 56 PRO A C +364 O O . PRO A 56 ? 0.5569 0.5008 0.5046 -0.0356 0.0060 0.0053 56 PRO A O +365 C CB . PRO A 56 ? 0.5621 0.5056 0.5101 -0.0405 0.0089 0.0053 56 PRO A CB +366 C CG . PRO A 56 ? 0.7014 0.6500 0.6547 -0.0404 0.0098 0.0039 56 PRO A CG +367 C CD . PRO A 56 ? 0.6726 0.6245 0.6296 -0.0391 0.0071 0.0036 56 PRO A CD +368 N N A PRO A 57 ? 0.6323 0.5692 0.5724 -0.0370 0.0066 0.0069 57 PRO A N +369 N N B PRO A 57 ? 0.6334 0.5704 0.5736 -0.0370 0.0066 0.0068 57 PRO A N +370 C CA A PRO A 57 ? 0.5785 0.5133 0.5158 -0.0355 0.0064 0.0070 57 PRO A CA +371 C CA B PRO A 57 ? 0.5773 0.5122 0.5147 -0.0355 0.0065 0.0070 57 PRO A CA +372 C C A PRO A 57 ? 0.6372 0.5735 0.5755 -0.0353 0.0086 0.0060 57 PRO A C +373 C C B PRO A 57 ? 0.6388 0.5752 0.5773 -0.0353 0.0086 0.0060 57 PRO A C +374 O O A PRO A 57 ? 0.6208 0.5586 0.5606 -0.0367 0.0108 0.0054 57 PRO A O +375 O O B PRO A 57 ? 0.6208 0.5588 0.5608 -0.0366 0.0108 0.0054 57 PRO A O +376 C CB A PRO A 57 ? 0.5603 0.4902 0.4919 -0.0360 0.0067 0.0080 57 PRO A CB +377 C CB B PRO A 57 ? 0.5588 0.4888 0.4906 -0.0360 0.0067 0.0080 57 PRO A CB +378 C CG A PRO A 57 ? 0.6306 0.5601 0.5624 -0.0369 0.0057 0.0086 57 PRO A CG +379 C CG B PRO A 57 ? 0.6316 0.5612 0.5635 -0.0368 0.0056 0.0086 57 PRO A CG +380 C CD A PRO A 57 ? 0.6136 0.5471 0.5502 -0.0381 0.0066 0.0078 57 PRO A CD +381 C CD B PRO A 57 ? 0.6135 0.5470 0.5501 -0.0380 0.0064 0.0078 57 PRO A CD +382 N N A VAL A 58 ? 0.5594 0.4951 0.4969 -0.0337 0.0079 0.0058 58 VAL A N +383 N N B VAL A 58 ? 0.5583 0.4941 0.4959 -0.0337 0.0079 0.0058 58 VAL A N +384 C CA A VAL A 58 ? 0.5770 0.5144 0.5159 -0.0329 0.0094 0.0048 58 VAL A CA +385 C CA B VAL A 58 ? 0.5765 0.5140 0.5154 -0.0329 0.0095 0.0048 58 VAL A CA +386 C C A VAL A 58 ? 0.6015 0.5349 0.5354 -0.0323 0.0101 0.0050 58 VAL A C +387 C C B VAL A 58 ? 0.6016 0.5349 0.5354 -0.0322 0.0101 0.0050 58 VAL A C +388 O O A VAL A 58 ? 0.6379 0.5685 0.5688 -0.0314 0.0083 0.0057 58 VAL A O +389 O O B VAL A 58 ? 0.6396 0.5703 0.5706 -0.0313 0.0082 0.0057 58 VAL A O +390 C CB A VAL A 58 ? 0.6256 0.5663 0.5685 -0.0313 0.0078 0.0042 58 VAL A CB +391 C CB B VAL A 58 ? 0.6279 0.5687 0.5708 -0.0313 0.0079 0.0042 58 VAL A CB +392 C CG1 A VAL A 58 ? 0.5431 0.4846 0.4864 -0.0300 0.0092 0.0032 58 VAL A CG1 +393 C CG1 B VAL A 58 ? 0.5413 0.4829 0.4847 -0.0301 0.0093 0.0032 58 VAL A CG1 +394 C CG2 A VAL A 58 ? 0.5747 0.5198 0.5227 -0.0319 0.0074 0.0037 58 VAL A CG2 +395 C CG2 B VAL A 58 ? 0.5742 0.5193 0.5222 -0.0319 0.0074 0.0037 58 VAL A CG2 +396 N N A ASP A 59 ? 0.5940 0.5272 0.5269 -0.0327 0.0128 0.0044 59 ASP A N +397 N N B ASP A 59 ? 0.5943 0.5274 0.5271 -0.0326 0.0128 0.0044 59 ASP A N +398 C CA A ASP A 59 ? 0.6001 0.5294 0.5280 -0.0320 0.0138 0.0045 59 ASP A CA +399 C CA B ASP A 59 ? 0.6007 0.5299 0.5285 -0.0320 0.0136 0.0045 59 ASP A CA +400 C C A ASP A 59 ? 0.6400 0.5702 0.5689 -0.0301 0.0131 0.0037 59 ASP A C +401 C C B ASP A 59 ? 0.6418 0.5719 0.5706 -0.0301 0.0131 0.0037 59 ASP A C +402 O O A ASP A 59 ? 0.6136 0.5450 0.5432 -0.0297 0.0151 0.0028 59 ASP A O +403 O O B ASP A 59 ? 0.6136 0.5450 0.5432 -0.0296 0.0151 0.0028 59 ASP A O +404 C CB A ASP A 59 ? 0.5710 0.4994 0.4971 -0.0333 0.0171 0.0042 59 ASP A CB +405 C CB B ASP A 59 ? 0.5716 0.4997 0.4973 -0.0333 0.0169 0.0043 59 ASP A CB +406 C CG A ASP A 59 ? 0.6494 0.5733 0.5696 -0.0327 0.0180 0.0044 59 ASP A CG +407 C CG B ASP A 59 ? 0.6535 0.5771 0.5734 -0.0326 0.0178 0.0044 59 ASP A CG +408 O OD1 A ASP A 59 ? 0.6319 0.5526 0.5486 -0.0319 0.0158 0.0051 59 ASP A OD1 +409 O OD1 B ASP A 59 ? 0.6328 0.5530 0.5490 -0.0319 0.0156 0.0052 59 ASP A OD1 +410 O OD2 A ASP A 59 ? 0.6282 0.5518 0.5473 -0.0330 0.0208 0.0037 59 ASP A OD2 +411 O OD2 B ASP A 59 ? 0.6329 0.5564 0.5520 -0.0328 0.0205 0.0038 59 ASP A OD2 +412 N N A ILE A 60 ? 0.5716 0.5011 0.5003 -0.0290 0.0104 0.0041 60 ILE A N +413 N N B ILE A 60 ? 0.5714 0.5008 0.5000 -0.0289 0.0103 0.0041 60 ILE A N +414 C CA A ILE A 60 ? 0.6060 0.5363 0.5360 -0.0272 0.0095 0.0034 60 ILE A CA +415 C CA B ILE A 60 ? 0.6071 0.5373 0.5369 -0.0271 0.0094 0.0034 60 ILE A CA +416 C C A ILE A 60 ? 0.6073 0.5348 0.5334 -0.0264 0.0109 0.0029 60 ILE A C +417 C C B ILE A 60 ? 0.6065 0.5339 0.5325 -0.0263 0.0109 0.0029 60 ILE A C +418 O O A ILE A 60 ? 0.5916 0.5207 0.5194 -0.0253 0.0120 0.0019 60 ILE A O +419 O O B ILE A 60 ? 0.5909 0.5200 0.5187 -0.0253 0.0120 0.0018 60 ILE A O +420 C CB A ILE A 60 ? 0.6103 0.5397 0.5402 -0.0264 0.0064 0.0040 60 ILE A CB +421 C CB B ILE A 60 ? 0.6105 0.5398 0.5403 -0.0264 0.0063 0.0040 60 ILE A CB +422 C CG1 A ILE A 60 ? 0.6105 0.5398 0.5409 -0.0246 0.0055 0.0034 60 ILE A CG1 +423 C CG1 B ILE A 60 ? 0.6114 0.5406 0.5417 -0.0246 0.0054 0.0034 60 ILE A CG1 +424 C CG2 A ILE A 60 ? 0.5929 0.5182 0.5180 -0.0269 0.0052 0.0050 60 ILE A CG2 +425 C CG2 B ILE A 60 ? 0.5934 0.5186 0.5184 -0.0268 0.0052 0.0050 60 ILE A CG2 +426 C CD1 A ILE A 60 ? 0.5049 0.4334 0.4355 -0.0240 0.0026 0.0039 60 ILE A CD1 +427 C CD1 B ILE A 60 ? 0.5026 0.4310 0.4331 -0.0240 0.0025 0.0040 60 ILE A CD1 +428 N N A ASP A 61 ? 0.6055 0.5287 0.5262 -0.0269 0.0110 0.0035 61 ASP A N +429 N N B ASP A 61 ? 0.6074 0.5305 0.5281 -0.0267 0.0109 0.0034 61 ASP A N +430 C CA A ASP A 61 ? 0.6385 0.5586 0.5551 -0.0259 0.0119 0.0030 61 ASP A CA +431 C CA B ASP A 61 ? 0.6384 0.5584 0.5549 -0.0258 0.0118 0.0029 61 ASP A CA +432 C C A ASP A 61 ? 0.6219 0.5411 0.5363 -0.0267 0.0151 0.0026 61 ASP A C +433 C C B ASP A 61 ? 0.6224 0.5416 0.5368 -0.0266 0.0151 0.0026 61 ASP A C +434 O O A ASP A 61 ? 0.6336 0.5495 0.5435 -0.0260 0.0160 0.0023 61 ASP A O +435 O O B ASP A 61 ? 0.6325 0.5485 0.5426 -0.0259 0.0161 0.0022 61 ASP A O +436 C CB A ASP A 61 ? 0.5850 0.5008 0.4968 -0.0257 0.0097 0.0037 61 ASP A CB +437 C CB B ASP A 61 ? 0.5843 0.5000 0.4960 -0.0255 0.0097 0.0036 61 ASP A CB +438 C CG A ASP A 61 ? 0.6949 0.6114 0.6087 -0.0248 0.0068 0.0038 61 ASP A CG +439 C CG B ASP A 61 ? 0.6981 0.6145 0.6118 -0.0246 0.0068 0.0037 61 ASP A CG +440 O OD1 A ASP A 61 ? 0.5957 0.5143 0.5125 -0.0237 0.0067 0.0031 61 ASP A OD1 +441 O OD1 B ASP A 61 ? 0.5993 0.5176 0.5159 -0.0236 0.0067 0.0030 61 ASP A OD1 +442 O OD2 A ASP A 61 ? 0.6854 0.6005 0.5979 -0.0251 0.0047 0.0046 61 ASP A OD2 +443 O OD2 B ASP A 61 ? 0.6888 0.6038 0.6013 -0.0250 0.0047 0.0045 61 ASP A OD2 +444 N N A GLY A 62 ? 0.6184 0.5404 0.5358 -0.0280 0.0170 0.0026 62 GLY A N +445 N N B GLY A 62 ? 0.6177 0.5396 0.5350 -0.0280 0.0169 0.0026 62 GLY A N +446 C CA A GLY A 62 ? 0.6619 0.5835 0.5778 -0.0288 0.0205 0.0021 62 GLY A CA +447 C CA B GLY A 62 ? 0.6628 0.5846 0.5789 -0.0288 0.0203 0.0021 62 GLY A CA +448 C C A GLY A 62 ? 0.6492 0.5659 0.5589 -0.0298 0.0215 0.0030 62 GLY A C +449 C C B GLY A 62 ? 0.6503 0.5670 0.5600 -0.0297 0.0214 0.0029 62 GLY A C +450 O O A GLY A 62 ? 0.6706 0.5860 0.5779 -0.0302 0.0244 0.0026 62 GLY A O +451 O O B GLY A 62 ? 0.6713 0.5868 0.5787 -0.0301 0.0243 0.0026 62 GLY A O +452 N N A ILE A 63 ? 0.6745 0.5884 0.5814 -0.0300 0.0192 0.0040 63 ILE A N +453 N N B ILE A 63 ? 0.6770 0.5908 0.5838 -0.0300 0.0192 0.0040 63 ILE A N +454 C CA A ILE A 63 ? 0.6276 0.5363 0.5279 -0.0304 0.0196 0.0048 63 ILE A CA +455 C CA B ILE A 63 ? 0.6269 0.5356 0.5271 -0.0304 0.0197 0.0048 63 ILE A CA +456 C C A ILE A 63 ? 0.6756 0.5838 0.5758 -0.0321 0.0197 0.0058 63 ILE A C +457 C C B ILE A 63 ? 0.6779 0.5861 0.5780 -0.0321 0.0198 0.0058 63 ILE A C +458 O O A ILE A 63 ? 0.6244 0.5285 0.5197 -0.0322 0.0190 0.0067 63 ILE A O +459 O O B ILE A 63 ? 0.6235 0.5276 0.5187 -0.0322 0.0190 0.0067 63 ILE A O +460 C CB A ILE A 63 ? 0.6575 0.5627 0.5537 -0.0291 0.0169 0.0051 63 ILE A CB +461 C CB B ILE A 63 ? 0.6581 0.5632 0.5541 -0.0290 0.0170 0.0051 63 ILE A CB +462 C CG1 A ILE A 63 ? 0.6620 0.5694 0.5618 -0.0287 0.0136 0.0055 63 ILE A CG1 +463 C CG1 B ILE A 63 ? 0.6638 0.5708 0.5631 -0.0287 0.0136 0.0056 63 ILE A CG1 +464 C CG2 A ILE A 63 ? 0.6436 0.5479 0.5382 -0.0276 0.0174 0.0042 63 ILE A CG2 +465 C CG2 B ILE A 63 ? 0.6437 0.5480 0.5383 -0.0276 0.0173 0.0041 63 ILE A CG2 +466 C CD1 A ILE A 63 ? 0.6143 0.5184 0.5102 -0.0279 0.0108 0.0060 63 ILE A CD1 +467 C CD1 B ILE A 63 ? 0.6159 0.5196 0.5112 -0.0278 0.0108 0.0060 63 ILE A CD1 +468 N N A ARG A 64 ? 0.5813 0.4937 0.4869 -0.0332 0.0206 0.0056 64 ARG A N +469 N N B ARG A 64 ? 0.5797 0.4920 0.4851 -0.0332 0.0208 0.0055 64 ARG A N +470 C CA A ARG A 64 ? 0.6276 0.5398 0.5334 -0.0349 0.0210 0.0063 64 ARG A CA +471 C CA B ARG A 64 ? 0.6286 0.5406 0.5343 -0.0349 0.0211 0.0063 64 ARG A CA +472 C C A ARG A 64 ? 0.6778 0.5880 0.5820 -0.0345 0.0178 0.0073 64 ARG A C +473 C C B ARG A 64 ? 0.6795 0.5896 0.5836 -0.0345 0.0179 0.0073 64 ARG A C +474 O O A ARG A 64 ? 0.6450 0.5516 0.5451 -0.0351 0.0178 0.0083 64 ARG A O +475 O O B ARG A 64 ? 0.6452 0.5518 0.5453 -0.0352 0.0179 0.0082 64 ARG A O +476 C CB A ARG A 64 ? 0.6206 0.5290 0.5216 -0.0363 0.0241 0.0067 64 ARG A CB +477 C CB B ARG A 64 ? 0.6207 0.5290 0.5215 -0.0363 0.0241 0.0067 64 ARG A CB +478 C CG A ARG A 64 ? 0.6029 0.5127 0.5046 -0.0364 0.0273 0.0056 64 ARG A CG +479 C CG B ARG A 64 ? 0.6004 0.5098 0.5017 -0.0365 0.0275 0.0057 64 ARG A CG +480 C CD A ARG A 64 ? 0.6555 0.5715 0.5647 -0.0372 0.0285 0.0046 64 ARG A CD +481 C CD B ARG A 64 ? 0.6575 0.5733 0.5664 -0.0372 0.0285 0.0046 64 ARG A CD +482 N NE A ARG A 64 ? 0.6544 0.5722 0.5647 -0.0371 0.0315 0.0035 64 ARG A NE +483 N NE B ARG A 64 ? 0.6553 0.5730 0.5654 -0.0370 0.0314 0.0035 64 ARG A NE +484 C CZ A ARG A 64 ? 0.7380 0.6546 0.6463 -0.0386 0.0350 0.0034 64 ARG A CZ +485 C CZ B ARG A 64 ? 0.7400 0.6566 0.6483 -0.0385 0.0350 0.0034 64 ARG A CZ +486 N NH1 A ARG A 64 ? 0.6716 0.5850 0.5767 -0.0404 0.0362 0.0043 64 ARG A NH1 +487 N NH1 B ARG A 64 ? 0.6721 0.5857 0.5774 -0.0404 0.0362 0.0043 64 ARG A NH1 +488 N NH2 A ARG A 64 ? 0.6471 0.5656 0.5566 -0.0382 0.0377 0.0023 64 ARG A NH2 +489 N NH2 B ARG A 64 ? 0.6469 0.5653 0.5563 -0.0381 0.0376 0.0023 64 ARG A NH2 +490 N N A GLU A 65 ? 0.6506 0.5630 0.5578 -0.0332 0.0151 0.0072 65 GLU A N +491 N N B GLU A 65 ? 0.6510 0.5633 0.5579 -0.0332 0.0152 0.0071 65 GLU A N +492 C CA A GLU A 65 ? 0.6769 0.5881 0.5831 -0.0327 0.0120 0.0080 65 GLU A CA +493 C CA B GLU A 65 ? 0.6773 0.5884 0.5833 -0.0326 0.0121 0.0080 65 GLU A CA +494 C C A GLU A 65 ? 0.7037 0.6194 0.6159 -0.0326 0.0104 0.0078 65 GLU A C +495 C C B GLU A 65 ? 0.7062 0.6218 0.6182 -0.0325 0.0104 0.0078 65 GLU A C +496 O O A GLU A 65 ? 0.6927 0.6098 0.6067 -0.0313 0.0086 0.0075 65 GLU A O +497 O O B GLU A 65 ? 0.6948 0.6116 0.6085 -0.0313 0.0085 0.0075 65 GLU A O +498 C CB A GLU A 65 ? 0.6378 0.5461 0.5402 -0.0311 0.0103 0.0080 65 GLU A CB +499 C CB B GLU A 65 ? 0.6350 0.5432 0.5372 -0.0311 0.0104 0.0080 65 GLU A CB +500 C CG A GLU A 65 ? 0.7366 0.6433 0.6373 -0.0306 0.0074 0.0089 65 GLU A CG +501 C CG B GLU A 65 ? 0.7367 0.6428 0.6367 -0.0306 0.0076 0.0089 65 GLU A CG +502 C CD A GLU A 65 ? 0.8333 0.7382 0.7316 -0.0292 0.0054 0.0086 65 GLU A CD +503 C CD B GLU A 65 ? 0.8366 0.7414 0.7347 -0.0292 0.0055 0.0086 65 GLU A CD +504 O OE1 A GLU A 65 ? 0.7464 0.6482 0.6403 -0.0287 0.0062 0.0084 65 GLU A OE1 +505 O OE1 B GLU A 65 ? 0.7485 0.6504 0.6424 -0.0286 0.0062 0.0083 65 GLU A OE1 +506 O OE2 A GLU A 65 ? 0.8601 0.7667 0.7609 -0.0287 0.0030 0.0087 65 GLU A OE2 +507 O OE2 B GLU A 65 ? 0.8666 0.7733 0.7676 -0.0287 0.0032 0.0086 65 GLU A OE2 +508 N N A PRO A 66 ? 0.6896 0.6073 0.6047 -0.0338 0.0109 0.0080 66 PRO A N +509 N N B PRO A 66 ? 0.6908 0.6085 0.6059 -0.0338 0.0110 0.0079 66 PRO A N +510 C CA A PRO A 66 ? 0.6869 0.6092 0.6079 -0.0338 0.0096 0.0076 66 PRO A CA +511 C CA B PRO A 66 ? 0.6884 0.6106 0.6093 -0.0337 0.0098 0.0075 66 PRO A CA +512 C C A PRO A 66 ? 0.6826 0.6047 0.6039 -0.0329 0.0066 0.0082 66 PRO A C +513 C C B PRO A 66 ? 0.6851 0.6072 0.6063 -0.0328 0.0067 0.0082 66 PRO A C +514 O O A PRO A 66 ? 0.6703 0.5898 0.5886 -0.0330 0.0054 0.0091 66 PRO A O +515 O O B PRO A 66 ? 0.6859 0.6052 0.6040 -0.0329 0.0055 0.0090 66 PRO A O +516 C CB A PRO A 66 ? 0.6503 0.5739 0.5732 -0.0356 0.0111 0.0076 66 PRO A CB +517 C CB B PRO A 66 ? 0.6521 0.5759 0.5751 -0.0355 0.0112 0.0076 66 PRO A CB +518 C CG A PRO A 66 ? 0.6479 0.5687 0.5671 -0.0366 0.0140 0.0076 66 PRO A CG +519 C CG B PRO A 66 ? 0.6476 0.5685 0.5668 -0.0366 0.0140 0.0076 66 PRO A CG +520 C CD A PRO A 66 ? 0.6180 0.5341 0.5313 -0.0355 0.0131 0.0083 66 PRO A CD +521 C CD B PRO A 66 ? 0.6172 0.5334 0.5305 -0.0355 0.0131 0.0083 66 PRO A CD +522 N N A VAL A 67 ? 0.6214 0.5465 0.5465 -0.0319 0.0052 0.0077 67 VAL A N +523 N N B VAL A 67 ? 0.6209 0.5460 0.5460 -0.0319 0.0054 0.0077 67 VAL A N +524 C CA A VAL A 67 ? 0.5678 0.4932 0.4937 -0.0311 0.0025 0.0082 67 VAL A CA +525 C CA B VAL A 67 ? 0.5668 0.4923 0.4928 -0.0311 0.0026 0.0082 67 VAL A CA +526 C C A VAL A 67 ? 0.6029 0.5316 0.5332 -0.0317 0.0019 0.0083 67 VAL A C +527 C C B VAL A 67 ? 0.6028 0.5316 0.5332 -0.0317 0.0020 0.0082 67 VAL A C +528 O O A VAL A 67 ? 0.6326 0.5646 0.5666 -0.0318 0.0028 0.0075 67 VAL A O +529 O O B VAL A 67 ? 0.6343 0.5664 0.5684 -0.0319 0.0029 0.0075 67 VAL A O +530 C CB A VAL A 67 ? 0.6312 0.5570 0.5577 -0.0297 0.0015 0.0078 67 VAL A CB +531 C CB B VAL A 67 ? 0.6322 0.5580 0.5587 -0.0297 0.0015 0.0077 67 VAL A CB +532 C CG1 A VAL A 67 ? 0.5696 0.4961 0.4977 -0.0290 -0.0012 0.0082 67 VAL A CG1 +533 C CG1 B VAL A 67 ? 0.5661 0.4930 0.4946 -0.0290 -0.0010 0.0081 67 VAL A CG1 +534 C CG2 A VAL A 67 ? 0.5523 0.4744 0.4741 -0.0291 0.0019 0.0077 67 VAL A CG2 +535 C CG2 B VAL A 67 ? 0.5511 0.4732 0.4729 -0.0292 0.0017 0.0078 67 VAL A CG2 +536 N N A SER A 68 ? 0.5755 0.5035 0.5053 -0.0319 0.0003 0.0090 68 SER A N +537 N N B SER A 68 ? 0.5736 0.5016 0.5034 -0.0319 0.0004 0.0090 68 SER A N +538 C CA A SER A 68 ? 0.6049 0.5355 0.5381 -0.0324 -0.0004 0.0091 68 SER A CA +539 C CA B SER A 68 ? 0.6049 0.5356 0.5382 -0.0324 -0.0003 0.0091 68 SER A CA +540 C C A SER A 68 ? 0.6158 0.5486 0.5519 -0.0313 -0.0023 0.0090 68 SER A C +541 C C B SER A 68 ? 0.6155 0.5483 0.5516 -0.0312 -0.0023 0.0090 68 SER A C +542 O O A SER A 68 ? 0.6337 0.5650 0.5683 -0.0305 -0.0039 0.0095 68 SER A O +543 O O B SER A 68 ? 0.6342 0.5654 0.5686 -0.0305 -0.0038 0.0095 68 SER A O +544 C CB A SER A 68 ? 0.6340 0.5627 0.5651 -0.0331 -0.0011 0.0100 68 SER A CB +545 C CB B SER A 68 ? 0.6353 0.5641 0.5665 -0.0331 -0.0010 0.0100 68 SER A CB +546 O OG A SER A 68 ? 0.7253 0.6564 0.6596 -0.0333 -0.0022 0.0100 68 SER A OG +547 O OG B SER A 68 ? 0.7278 0.6589 0.6622 -0.0334 -0.0021 0.0100 68 SER A OG +548 N N A GLY A 69 ? 0.6192 0.5554 0.5593 -0.0312 -0.0021 0.0083 69 GLY A N +549 N N B GLY A 69 ? 0.6198 0.5560 0.5599 -0.0311 -0.0021 0.0083 69 GLY A N +550 C CA A GLY A 69 ? 0.5616 0.4997 0.5043 -0.0300 -0.0038 0.0082 69 GLY A CA +551 C CA B GLY A 69 ? 0.5602 0.4981 0.5027 -0.0300 -0.0039 0.0082 69 GLY A CA +552 C C A GLY A 69 ? 0.6297 0.5698 0.5749 -0.0302 -0.0051 0.0084 69 GLY A C +553 C C B GLY A 69 ? 0.6306 0.5707 0.5758 -0.0302 -0.0051 0.0084 69 GLY A C +554 O O A GLY A 69 ? 0.6378 0.5785 0.5840 -0.0292 -0.0067 0.0086 69 GLY A O +555 O O B GLY A 69 ? 0.6415 0.5823 0.5878 -0.0292 -0.0067 0.0086 69 GLY A O +556 N N . SER A 70 ? 0.5314 0.4724 0.4775 -0.0315 -0.0043 0.0083 70 SER A N +557 C CA . SER A 70 ? 0.5949 0.5383 0.5439 -0.0316 -0.0055 0.0082 70 SER A CA +558 C C . SER A 70 ? 0.5609 0.5024 0.5079 -0.0320 -0.0067 0.0092 70 SER A C +559 O O . SER A 70 ? 0.5539 0.4926 0.4977 -0.0324 -0.0064 0.0099 70 SER A O +560 C CB . SER A 70 ? 0.6030 0.5491 0.5548 -0.0328 -0.0041 0.0073 70 SER A CB +561 O OG . SER A 70 ? 0.6535 0.5976 0.6031 -0.0344 -0.0029 0.0076 70 SER A OG +562 N N . LEU A 71 ? 0.5566 0.4999 0.5057 -0.0317 -0.0081 0.0092 71 LEU A N +563 C CA . LEU A 71 ? 0.6299 0.5717 0.5775 -0.0319 -0.0093 0.0101 71 LEU A CA +564 C C . LEU A 71 ? 0.6781 0.6184 0.6241 -0.0333 -0.0084 0.0102 71 LEU A C +565 O O . LEU A 71 ? 0.6750 0.6128 0.6182 -0.0334 -0.0087 0.0110 71 LEU A O +566 C CB . LEU A 71 ? 0.6620 0.6060 0.6121 -0.0313 -0.0108 0.0099 71 LEU A CB +567 C CG . LEU A 71 ? 0.6678 0.6126 0.6189 -0.0297 -0.0119 0.0100 71 LEU A CG +568 C CD1 . LEU A 71 ? 0.6267 0.5731 0.5796 -0.0292 -0.0134 0.0099 71 LEU A CD1 +569 C CD2 . LEU A 71 ? 0.5903 0.5324 0.5387 -0.0292 -0.0124 0.0108 71 LEU A CD2 +570 N N . LEU A 72 ? 0.5848 0.5267 0.5326 -0.0345 -0.0071 0.0094 72 LEU A N +571 C CA . LEU A 72 ? 0.6316 0.5717 0.5777 -0.0360 -0.0062 0.0096 72 LEU A CA +572 C C . LEU A 72 ? 0.6880 0.6248 0.6303 -0.0364 -0.0048 0.0101 72 LEU A C +573 O O . LEU A 72 ? 0.6708 0.6049 0.6105 -0.0372 -0.0043 0.0105 72 LEU A O +574 C CB . LEU A 72 ? 0.6413 0.5841 0.5905 -0.0374 -0.0051 0.0085 72 LEU A CB +575 C CG . LEU A 72 ? 0.9899 0.9353 0.9421 -0.0373 -0.0066 0.0081 72 LEU A CG +576 C CD1 . LEU A 72 ? 0.8040 0.7529 0.7599 -0.0386 -0.0057 0.0068 72 LEU A CD1 +577 C CD2 . LEU A 72 ? 0.6996 0.6427 0.6495 -0.0376 -0.0076 0.0088 72 LEU A CD2 +578 N N . TYR A 73 ? 0.6139 0.5504 0.5556 -0.0357 -0.0043 0.0100 73 TYR A N +579 C CA . TYR A 73 ? 0.6422 0.5753 0.5799 -0.0359 -0.0031 0.0104 73 TYR A CA +580 C C . TYR A 73 ? 0.7194 0.6504 0.6544 -0.0345 -0.0045 0.0112 73 TYR A C +581 O O . TYR A 73 ? 0.6495 0.5788 0.5823 -0.0341 -0.0040 0.0113 73 TYR A O +582 C CB . TYR A 73 ? 0.5823 0.5161 0.5205 -0.0361 -0.0013 0.0097 73 TYR A CB +583 C CG . TYR A 73 ? 0.6987 0.6341 0.6389 -0.0378 0.0006 0.0090 73 TYR A CG +584 C CD1 . TYR A 73 ? 0.6655 0.6049 0.6103 -0.0381 0.0004 0.0081 73 TYR A CD1 +585 C CD2 . TYR A 73 ? 0.6582 0.5908 0.5954 -0.0391 0.0027 0.0091 73 TYR A CD2 +586 C CE1 . TYR A 73 ? 0.8067 0.7478 0.7536 -0.0398 0.0021 0.0073 73 TYR A CE1 +587 C CE2 . TYR A 73 ? 0.6869 0.6209 0.6259 -0.0408 0.0047 0.0084 73 TYR A CE2 +588 C CZ . TYR A 73 ? 0.7852 0.7237 0.7293 -0.0413 0.0043 0.0074 73 TYR A CZ +589 O OH . TYR A 73 ? 0.7820 0.7222 0.7282 -0.0432 0.0062 0.0066 73 TYR A OH +590 N N . GLY A 74 ? 0.6045 0.5358 0.5400 -0.0339 -0.0063 0.0117 74 GLY A N +591 C CA . GLY A 74 ? 0.6339 0.5631 0.5668 -0.0330 -0.0075 0.0125 74 GLY A CA +592 C C . GLY A 74 ? 0.7223 0.6527 0.6565 -0.0318 -0.0088 0.0125 74 GLY A C +593 O O . GLY A 74 ? 0.6925 0.6213 0.6246 -0.0311 -0.0096 0.0129 74 GLY A O +594 N N . ASN A 75 ? 0.6193 0.5524 0.5568 -0.0315 -0.0091 0.0120 75 ASN A N +595 C CA . ASN A 75 ? 0.5162 0.4500 0.4546 -0.0304 -0.0101 0.0120 75 ASN A CA +596 C C . ASN A 75 ? 0.5998 0.5350 0.5400 -0.0300 -0.0116 0.0123 75 ASN A C +597 O O . ASN A 75 ? 0.5715 0.5078 0.5130 -0.0305 -0.0117 0.0122 75 ASN A O +598 C CB . ASN A 75 ? 0.5386 0.4740 0.4790 -0.0301 -0.0093 0.0111 75 ASN A CB +599 C CG . ASN A 75 ? 0.6332 0.5669 0.5714 -0.0302 -0.0081 0.0109 75 ASN A CG +600 O OD1 . ASN A 75 ? 0.5999 0.5322 0.5364 -0.0295 -0.0087 0.0110 75 ASN A OD1 +601 N ND2 . ASN A 75 ? 0.5756 0.5095 0.5137 -0.0310 -0.0064 0.0104 75 ASN A ND2 +602 N N . ASN A 76 ? 0.6310 0.5658 0.5710 -0.0292 -0.0127 0.0126 76 ASN A N +603 C CA . ASN A 76 ? 0.5973 0.5333 0.5389 -0.0287 -0.0139 0.0129 76 ASN A CA +604 C C . ASN A 76 ? 0.5470 0.4841 0.4903 -0.0279 -0.0141 0.0124 76 ASN A C +605 O O . ASN A 76 ? 0.5696 0.5068 0.5131 -0.0278 -0.0132 0.0118 76 ASN A O +606 C CB . ASN A 76 ? 0.5344 0.4692 0.4745 -0.0285 -0.0150 0.0137 76 ASN A CB +607 C CG . ASN A 76 ? 0.6059 0.5394 0.5447 -0.0282 -0.0152 0.0138 76 ASN A CG +608 O OD1 . ASN A 76 ? 0.6043 0.5377 0.5435 -0.0278 -0.0151 0.0133 76 ASN A OD1 +609 N ND2 . ASN A 76 ? 0.5310 0.4633 0.4681 -0.0283 -0.0157 0.0142 76 ASN A ND2 +610 N N . ILE A 77 ? 0.5752 0.5129 0.5195 -0.0273 -0.0152 0.0127 77 ILE A N +611 C CA . ILE A 77 ? 0.5868 0.5252 0.5325 -0.0264 -0.0155 0.0123 77 ILE A CA +612 C C . ILE A 77 ? 0.6562 0.5930 0.6006 -0.0260 -0.0153 0.0122 77 ILE A C +613 O O . ILE A 77 ? 0.5962 0.5333 0.5413 -0.0253 -0.0150 0.0116 77 ILE A O +614 C CB . ILE A 77 ? 0.5804 0.5191 0.5267 -0.0258 -0.0167 0.0128 77 ILE A CB +615 C CG1 . ILE A 77 ? 0.6401 0.5806 0.5878 -0.0260 -0.0169 0.0127 77 ILE A CG1 +616 C CG2 . ILE A 77 ? 0.5701 0.5088 0.5171 -0.0247 -0.0172 0.0126 77 ILE A CG2 +617 C CD1 . ILE A 77 ? 0.7507 0.6934 0.7007 -0.0256 -0.0167 0.0118 77 ILE A CD1 +618 N N . ILE A 78 ? 0.5979 0.5330 0.5404 -0.0264 -0.0156 0.0128 78 ILE A N +619 C CA . ILE A 78 ? 0.5914 0.5248 0.5325 -0.0262 -0.0157 0.0126 78 ILE A CA +620 C C . ILE A 78 ? 0.5916 0.5244 0.5316 -0.0264 -0.0146 0.0120 78 ILE A C +621 O O . ILE A 78 ? 0.6304 0.5623 0.5699 -0.0259 -0.0143 0.0115 78 ILE A O +622 C CB . ILE A 78 ? 0.5999 0.5321 0.5397 -0.0266 -0.0165 0.0133 78 ILE A CB +623 C CG1 . ILE A 78 ? 0.6178 0.5504 0.5585 -0.0264 -0.0174 0.0139 78 ILE A CG1 +624 C CG2 . ILE A 78 ? 0.5843 0.5146 0.5226 -0.0265 -0.0166 0.0130 78 ILE A CG2 +625 C CD1 . ILE A 78 ? 0.5049 0.4371 0.4463 -0.0257 -0.0177 0.0138 78 ILE A CD1 +626 N N A THR A 79 ? 0.5781 0.5109 0.5174 -0.0270 -0.0138 0.0120 79 THR A N +627 N N B THR A 79 ? 0.5786 0.5114 0.5179 -0.0270 -0.0138 0.0120 79 THR A N +628 C CA A THR A 79 ? 0.5982 0.5301 0.5360 -0.0273 -0.0127 0.0116 79 THR A CA +629 C CA B THR A 79 ? 0.5991 0.5310 0.5368 -0.0273 -0.0127 0.0116 79 THR A CA +630 C C A THR A 79 ? 0.6062 0.5397 0.5456 -0.0272 -0.0113 0.0108 79 THR A C +631 C C B THR A 79 ? 0.6078 0.5413 0.5472 -0.0272 -0.0113 0.0108 79 THR A C +632 O O A THR A 79 ? 0.5948 0.5275 0.5330 -0.0272 -0.0102 0.0103 79 THR A O +633 O O B THR A 79 ? 0.5955 0.5282 0.5338 -0.0272 -0.0102 0.0103 79 THR A O +634 C CB A THR A 79 ? 0.5785 0.5091 0.5140 -0.0280 -0.0125 0.0120 79 THR A CB +635 C CB B THR A 79 ? 0.5784 0.5090 0.5139 -0.0279 -0.0125 0.0120 79 THR A CB +636 O OG1 A THR A 79 ? 0.5882 0.5198 0.5246 -0.0285 -0.0120 0.0121 79 THR A OG1 +637 O OG1 B THR A 79 ? 0.5882 0.5198 0.5245 -0.0285 -0.0119 0.0121 79 THR A OG1 +638 C CG2 A THR A 79 ? 0.6020 0.5317 0.5365 -0.0279 -0.0139 0.0126 79 THR A CG2 +639 C CG2 B THR A 79 ? 0.6028 0.5324 0.5372 -0.0279 -0.0138 0.0126 79 THR A CG2 +640 N N A GLY A 80 ? 0.5563 0.4920 0.4982 -0.0272 -0.0115 0.0107 80 GLY A N +641 N N B GLY A 80 ? 0.5555 0.4912 0.4975 -0.0272 -0.0115 0.0107 80 GLY A N +642 C CA A GLY A 80 ? 0.5615 0.4992 0.5054 -0.0274 -0.0102 0.0100 80 GLY A CA +643 C CA B GLY A 80 ? 0.5623 0.5001 0.5063 -0.0273 -0.0103 0.0100 80 GLY A CA +644 C C A GLY A 80 ? 0.5771 0.5156 0.5222 -0.0264 -0.0098 0.0092 80 GLY A C +645 C C B GLY A 80 ? 0.5787 0.5172 0.5238 -0.0263 -0.0099 0.0092 80 GLY A C +646 O O A GLY A 80 ? 0.5875 0.5253 0.5325 -0.0254 -0.0108 0.0093 80 GLY A O +647 O O B GLY A 80 ? 0.5891 0.5269 0.5341 -0.0253 -0.0108 0.0093 80 GLY A O +648 N N A ALA A 81 ? 0.5085 0.4484 0.4548 -0.0266 -0.0083 0.0084 81 ALA A N +649 N N B ALA A 81 ? 0.5067 0.4466 0.4530 -0.0265 -0.0083 0.0084 81 ALA A N +650 C CA A ALA A 81 ? 0.6123 0.5532 0.5598 -0.0255 -0.0076 0.0075 81 ALA A CA +651 C CA B ALA A 81 ? 0.6142 0.5551 0.5617 -0.0255 -0.0077 0.0075 81 ALA A CA +652 C C A ALA A 81 ? 0.6171 0.5610 0.5673 -0.0260 -0.0060 0.0066 81 ALA A C +653 C C B ALA A 81 ? 0.6193 0.5631 0.5694 -0.0259 -0.0060 0.0066 81 ALA A C +654 O O A ALA A 81 ? 0.5958 0.5398 0.5456 -0.0274 -0.0049 0.0067 81 ALA A O +655 O O B ALA A 81 ? 0.5973 0.5413 0.5472 -0.0273 -0.0050 0.0067 81 ALA A O +656 C CB A ALA A 81 ? 0.5277 0.4658 0.4722 -0.0252 -0.0070 0.0074 81 ALA A CB +657 C CB B ALA A 81 ? 0.5265 0.4646 0.4710 -0.0251 -0.0071 0.0074 81 ALA A CB +658 N N A VAL A 82 ? 0.5674 0.5135 0.5201 -0.0248 -0.0058 0.0057 82 VAL A N +659 N N B VAL A 82 ? 0.5694 0.5154 0.5219 -0.0248 -0.0057 0.0057 82 VAL A N +660 C CA A VAL A 82 ? 0.5366 0.4849 0.4911 -0.0251 -0.0038 0.0047 82 VAL A CA +661 C CA B VAL A 82 ? 0.5352 0.4835 0.4897 -0.0250 -0.0038 0.0047 82 VAL A CA +662 C C A VAL A 82 ? 0.5523 0.4982 0.5041 -0.0247 -0.0025 0.0045 82 VAL A C +663 C C B VAL A 82 ? 0.5525 0.4985 0.5043 -0.0246 -0.0024 0.0044 82 VAL A C +664 O O A VAL A 82 ? 0.5635 0.5079 0.5141 -0.0233 -0.0033 0.0044 82 VAL A O +665 O O B VAL A 82 ? 0.5678 0.5125 0.5187 -0.0232 -0.0031 0.0043 82 VAL A O +666 C CB A VAL A 82 ? 0.6307 0.5830 0.5895 -0.0239 -0.0041 0.0037 82 VAL A CB +667 C CB B VAL A 82 ? 0.6335 0.5858 0.5923 -0.0239 -0.0041 0.0037 82 VAL A CB +668 C CG1 A VAL A 82 ? 0.4972 0.4523 0.4583 -0.0243 -0.0018 0.0026 82 VAL A CG1 +669 C CG1 B VAL A 82 ? 0.4966 0.4516 0.4576 -0.0242 -0.0018 0.0025 82 VAL A CG1 +670 C CG2 A VAL A 82 ? 0.4958 0.4503 0.4570 -0.0243 -0.0055 0.0039 82 VAL A CG2 +671 C CG2 B VAL A 82 ? 0.4952 0.4496 0.4563 -0.0243 -0.0055 0.0039 82 VAL A CG2 +672 N N A VAL A 83 ? 0.6210 0.5661 0.5712 -0.0259 -0.0006 0.0044 83 VAL A N +673 N N B VAL A 83 ? 0.6236 0.5685 0.5736 -0.0259 -0.0006 0.0044 83 VAL A N +674 C CA A VAL A 83 ? 0.5442 0.4862 0.4907 -0.0258 0.0005 0.0043 83 VAL A CA +675 C CA B VAL A 83 ? 0.5424 0.4843 0.4888 -0.0258 0.0006 0.0043 83 VAL A CA +676 C C A VAL A 83 ? 0.6543 0.5981 0.6023 -0.0248 0.0023 0.0032 83 VAL A C +677 C C B VAL A 83 ? 0.6578 0.6014 0.6057 -0.0248 0.0023 0.0032 83 VAL A C +678 O O A VAL A 83 ? 0.6251 0.5724 0.5765 -0.0253 0.0036 0.0024 83 VAL A O +679 O O B VAL A 83 ? 0.6274 0.5745 0.5786 -0.0253 0.0037 0.0024 83 VAL A O +680 C CB A VAL A 83 ? 0.6080 0.5478 0.5515 -0.0274 0.0017 0.0049 83 VAL A CB +681 C CB B VAL A 83 ? 0.6099 0.5496 0.5533 -0.0274 0.0018 0.0049 83 VAL A CB +682 C CG1 A VAL A 83 ? 0.5373 0.4737 0.4766 -0.0272 0.0028 0.0048 83 VAL A CG1 +683 C CG1 B VAL A 83 ? 0.5357 0.4719 0.4747 -0.0272 0.0028 0.0049 83 VAL A CG1 +684 C CG2 A VAL A 83 ? 0.5399 0.4782 0.4821 -0.0282 0.0000 0.0060 83 VAL A CG2 +685 C CG2 B VAL A 83 ? 0.5392 0.4776 0.4815 -0.0282 0.0001 0.0060 83 VAL A CG2 +686 N N A PRO A 84 ? 0.6356 0.5771 0.5813 -0.0235 0.0023 0.0029 84 PRO A N +687 N N B PRO A 84 ? 0.6361 0.5776 0.5818 -0.0235 0.0022 0.0029 84 PRO A N +688 C CA A PRO A 84 ? 0.6200 0.5629 0.5668 -0.0225 0.0040 0.0017 84 PRO A CA +689 C CA B PRO A 84 ? 0.6196 0.5624 0.5664 -0.0224 0.0040 0.0017 84 PRO A CA +690 C C A PRO A 84 ? 0.6770 0.6207 0.6236 -0.0238 0.0069 0.0012 84 PRO A C +691 C C B PRO A 84 ? 0.6801 0.6236 0.6266 -0.0237 0.0068 0.0012 84 PRO A C +692 O O A PRO A 84 ? 0.6143 0.5559 0.5582 -0.0253 0.0076 0.0019 84 PRO A O +693 O O B PRO A 84 ? 0.6153 0.5566 0.5589 -0.0252 0.0074 0.0019 84 PRO A O +694 C CB A PRO A 84 ? 0.6467 0.5856 0.5896 -0.0213 0.0035 0.0018 84 PRO A CB +695 C CB B PRO A 84 ? 0.6482 0.5871 0.5912 -0.0212 0.0034 0.0017 84 PRO A CB +696 C CG A PRO A 84 ? 0.6474 0.5848 0.5898 -0.0211 0.0008 0.0027 84 PRO A CG +697 C CG B PRO A 84 ? 0.6509 0.5881 0.5930 -0.0212 0.0008 0.0027 84 PRO A CG +698 C CD A PRO A 84 ? 0.6215 0.5597 0.5644 -0.0228 0.0003 0.0035 84 PRO A CD +699 C CD B PRO A 84 ? 0.6237 0.5615 0.5661 -0.0229 0.0004 0.0036 84 PRO A CD +700 N N A SER A 85 ? 0.6056 0.5523 0.5551 -0.0230 0.0085 0.0000 85 SER A N +701 N N B SER A 85 ? 0.6059 0.5525 0.5552 -0.0230 0.0085 0.0001 85 SER A N +702 C CA A SER A 85 ? 0.6315 0.5795 0.5813 -0.0243 0.0115 -0.0005 85 SER A CA +703 C CA B SER A 85 ? 0.6321 0.5800 0.5818 -0.0243 0.0114 -0.0005 85 SER A CA +704 C C A SER A 85 ? 0.6405 0.5842 0.5850 -0.0244 0.0130 -0.0004 85 SER A C +705 C C B SER A 85 ? 0.6410 0.5846 0.5854 -0.0245 0.0131 -0.0003 85 SER A C +706 O O A SER A 85 ? 0.6325 0.5730 0.5738 -0.0231 0.0120 -0.0003 85 SER A O +707 O O B SER A 85 ? 0.6339 0.5743 0.5751 -0.0232 0.0121 -0.0002 85 SER A O +708 C CB A SER A 85 ? 0.6317 0.5847 0.5865 -0.0234 0.0128 -0.0019 85 SER A CB +709 C CB B SER A 85 ? 0.6334 0.5863 0.5882 -0.0235 0.0128 -0.0019 85 SER A CB +710 O OG A SER A 85 ? 0.7111 0.6635 0.6655 -0.0210 0.0125 -0.0026 85 SER A OG +711 O OG B SER A 85 ? 0.7126 0.6650 0.6669 -0.0212 0.0128 -0.0026 85 SER A OG +712 N N A SER A 86 ? 0.6600 0.6036 0.6035 -0.0260 0.0156 -0.0005 86 SER A N +713 N N B SER A 86 ? 0.6627 0.6063 0.6062 -0.0261 0.0156 -0.0004 86 SER A N +714 C CA A SER A 86 ? 0.5765 0.5154 0.5141 -0.0266 0.0170 0.0000 86 SER A CA +715 C CA B SER A 86 ? 0.5756 0.5146 0.5133 -0.0267 0.0171 0.0000 86 SER A CA +716 C C A SER A 86 ? 0.6451 0.5823 0.5804 -0.0248 0.0179 -0.0008 86 SER A C +717 C C B SER A 86 ? 0.6457 0.5830 0.5811 -0.0249 0.0180 -0.0008 86 SER A C +718 O O A SER A 86 ? 0.6361 0.5765 0.5748 -0.0237 0.0190 -0.0019 86 SER A O +719 O O B SER A 86 ? 0.6356 0.5761 0.5743 -0.0238 0.0191 -0.0020 86 SER A O +720 C CB A SER A 86 ? 0.6009 0.5403 0.5383 -0.0286 0.0199 -0.0001 86 SER A CB +721 C CB B SER A 86 ? 0.6003 0.5399 0.5379 -0.0287 0.0200 -0.0001 86 SER A CB +722 O OG A SER A 86 ? 0.6187 0.5535 0.5502 -0.0290 0.0216 0.0002 86 SER A OG +723 O OG B SER A 86 ? 0.6192 0.5545 0.5512 -0.0290 0.0218 0.0001 86 SER A OG +724 N N A ASN A 87 ? 0.6338 0.5659 0.5634 -0.0246 0.0173 -0.0002 87 ASN A N +725 N N B ASN A 87 ? 0.6344 0.5666 0.5640 -0.0247 0.0175 -0.0002 87 ASN A N +726 C CA A ASN A 87 ? 0.5985 0.5282 0.5248 -0.0232 0.0184 -0.0009 87 ASN A CA +727 C CA B ASN A 87 ? 0.5972 0.5270 0.5237 -0.0232 0.0184 -0.0010 87 ASN A CA +728 C C A ASN A 87 ? 0.6308 0.5616 0.5572 -0.0236 0.0220 -0.0018 87 ASN A C +729 C C B ASN A 87 ? 0.6314 0.5622 0.5577 -0.0236 0.0221 -0.0018 87 ASN A C +730 O O A ASN A 87 ? 0.6319 0.5624 0.5574 -0.0221 0.0233 -0.0028 87 ASN A O +731 O O B ASN A 87 ? 0.6326 0.5630 0.5580 -0.0221 0.0233 -0.0028 87 ASN A O +732 C CB A ASN A 87 ? 0.6268 0.5508 0.5467 -0.0232 0.0172 -0.0002 87 ASN A CB +733 C CB B ASN A 87 ? 0.6276 0.5517 0.5476 -0.0231 0.0171 -0.0002 87 ASN A CB +734 C CG A ASN A 87 ? 0.6720 0.5931 0.5884 -0.0215 0.0175 -0.0010 87 ASN A CG +735 C CG B ASN A 87 ? 0.6721 0.5935 0.5889 -0.0214 0.0175 -0.0010 87 ASN A CG +736 O OD1 A ASN A 87 ? 0.6268 0.5494 0.5456 -0.0199 0.0169 -0.0018 87 ASN A OD1 +737 O OD1 B ASN A 87 ? 0.6244 0.5474 0.5437 -0.0199 0.0168 -0.0018 87 ASN A OD1 +738 N ND2 A ASN A 87 ? 0.6520 0.5687 0.5625 -0.0218 0.0185 -0.0008 87 ASN A ND2 +739 N ND2 B ASN A 87 ? 0.6551 0.5722 0.5661 -0.0217 0.0185 -0.0009 87 ASN A ND2 +740 N N A ALA A 88 ? 0.6625 0.5945 0.5896 -0.0256 0.0239 -0.0015 88 ALA A N +741 N N B ALA A 88 ? 0.6659 0.5977 0.5927 -0.0256 0.0240 -0.0015 88 ALA A N +742 C CA A ALA A 88 ? 0.6330 0.5663 0.5603 -0.0261 0.0277 -0.0023 88 ALA A CA +743 C CA B ALA A 88 ? 0.6330 0.5661 0.5600 -0.0262 0.0278 -0.0023 88 ALA A CA +744 C C A ALA A 88 ? 0.6366 0.5758 0.5703 -0.0252 0.0288 -0.0037 88 ALA A C +745 C C B ALA A 88 ? 0.6381 0.5770 0.5715 -0.0252 0.0288 -0.0037 88 ALA A C +746 O O A ALA A 88 ? 0.5997 0.5400 0.5336 -0.0248 0.0316 -0.0047 88 ALA A O +747 O O B ALA A 88 ? 0.5989 0.5389 0.5325 -0.0247 0.0317 -0.0047 88 ALA A O +748 C CB A ALA A 88 ? 0.6014 0.5343 0.5279 -0.0287 0.0295 -0.0016 88 ALA A CB +749 C CB B ALA A 88 ? 0.6002 0.5331 0.5267 -0.0287 0.0296 -0.0017 88 ALA A CB +750 N N A ILE A 89 ? 0.5761 0.5189 0.5148 -0.0247 0.0265 -0.0038 89 ILE A N +751 N N B ILE A 89 ? 0.5743 0.5168 0.5127 -0.0246 0.0265 -0.0038 89 ILE A N +752 C CA A ILE A 89 ? 0.5955 0.5440 0.5405 -0.0235 0.0269 -0.0051 89 ILE A CA +753 C CA B ILE A 89 ? 0.5931 0.5414 0.5379 -0.0234 0.0269 -0.0051 89 ILE A CA +754 C C A ILE A 89 ? 0.5869 0.5346 0.5313 -0.0207 0.0259 -0.0058 89 ILE A C +755 C C B ILE A 89 ? 0.5880 0.5355 0.5322 -0.0206 0.0260 -0.0058 89 ILE A C +756 O O A ILE A 89 ? 0.6252 0.5764 0.5730 -0.0193 0.0273 -0.0071 89 ILE A O +757 O O B ILE A 89 ? 0.6244 0.5757 0.5723 -0.0192 0.0273 -0.0071 89 ILE A O +758 C CB A ILE A 89 ? 0.6101 0.5625 0.5602 -0.0241 0.0247 -0.0048 89 ILE A CB +759 C CB B ILE A 89 ? 0.6110 0.5631 0.5609 -0.0240 0.0246 -0.0048 89 ILE A CB +760 C CG1 A ILE A 89 ? 0.5948 0.5487 0.5463 -0.0269 0.0262 -0.0044 89 ILE A CG1 +761 C CG1 B ILE A 89 ? 0.5929 0.5465 0.5441 -0.0268 0.0261 -0.0044 89 ILE A CG1 +762 C CG2 A ILE A 89 ? 0.6165 0.5744 0.5728 -0.0223 0.0240 -0.0060 89 ILE A CG2 +763 C CG2 B ILE A 89 ? 0.6182 0.5759 0.5743 -0.0222 0.0240 -0.0061 89 ILE A CG2 +764 C CD1 A ILE A 89 ? 0.6807 0.6373 0.6361 -0.0277 0.0237 -0.0040 89 ILE A CD1 +765 C CD1 B ILE A 89 ? 0.6834 0.6397 0.6384 -0.0275 0.0236 -0.0040 89 ILE A CD1 +766 N N A GLY A 90 ? 0.7195 0.6625 0.6595 -0.0199 0.0236 -0.0050 90 GLY A N +767 N N B GLY A 90 ? 0.7253 0.6681 0.6650 -0.0197 0.0236 -0.0051 90 GLY A N +768 C CA A GLY A 90 ? 0.5661 0.5076 0.5049 -0.0174 0.0225 -0.0056 90 GLY A CA +769 C CA B GLY A 90 ? 0.5638 0.5051 0.5024 -0.0172 0.0226 -0.0057 90 GLY A CA +770 C C A GLY A 90 ? 0.6335 0.5794 0.5780 -0.0158 0.0210 -0.0063 90 GLY A C +771 C C B GLY A 90 ? 0.6343 0.5801 0.5786 -0.0157 0.0211 -0.0064 90 GLY A C +772 O O A GLY A 90 ? 0.6318 0.5793 0.5789 -0.0162 0.0188 -0.0057 90 GLY A O +773 O O B GLY A 90 ? 0.6348 0.5821 0.5817 -0.0161 0.0188 -0.0057 90 GLY A O +774 N N A LEU A 91 ? 0.5837 0.5316 0.5301 -0.0138 0.0224 -0.0077 91 LEU A N +775 N N B LEU A 91 ? 0.5825 0.5305 0.5289 -0.0137 0.0225 -0.0077 91 LEU A N +776 C CA A LEU A 91 ? 0.5821 0.5344 0.5338 -0.0119 0.0212 -0.0085 91 LEU A CA +777 C CA B LEU A 91 ? 0.5811 0.5335 0.5329 -0.0118 0.0213 -0.0085 91 LEU A CA +778 C C A LEU A 91 ? 0.6180 0.5769 0.5759 -0.0123 0.0233 -0.0095 91 LEU A C +779 C C B LEU A 91 ? 0.6180 0.5770 0.5759 -0.0123 0.0234 -0.0096 91 LEU A C +780 O O A LEU A 91 ? 0.6872 0.6502 0.6497 -0.0104 0.0227 -0.0105 91 LEU A O +781 O O B LEU A 91 ? 0.6902 0.6534 0.6528 -0.0104 0.0227 -0.0106 91 LEU A O +782 C CB A LEU A 91 ? 0.5832 0.5336 0.5333 -0.0090 0.0210 -0.0094 91 LEU A CB +783 C CB B LEU A 91 ? 0.5821 0.5325 0.5322 -0.0089 0.0210 -0.0094 91 LEU A CB +784 C CG A LEU A 91 ? 0.6954 0.6397 0.6402 -0.0083 0.0185 -0.0085 91 LEU A CG +785 C CG B LEU A 91 ? 0.6986 0.6429 0.6435 -0.0082 0.0185 -0.0086 91 LEU A CG +786 C CD1 A LEU A 91 ? 0.6218 0.5636 0.5644 -0.0056 0.0189 -0.0096 91 LEU A CD1 +787 C CD1 B LEU A 91 ? 0.6227 0.5648 0.5657 -0.0055 0.0187 -0.0096 91 LEU A CD1 +788 C CD2 A LEU A 91 ? 0.5700 0.5146 0.5167 -0.0083 0.0152 -0.0076 91 LEU A CD2 +789 C CD2 B LEU A 91 ? 0.5687 0.5134 0.5155 -0.0084 0.0152 -0.0076 91 LEU A CD2 +790 N N A HIS A 92 ? 0.6230 0.5830 0.5810 -0.0148 0.0257 -0.0094 92 HIS A N +791 N N B HIS A 92 ? 0.6250 0.5851 0.5830 -0.0147 0.0257 -0.0094 92 HIS A N +792 C CA A HIS A 92 ? 0.5833 0.5499 0.5475 -0.0156 0.0277 -0.0105 92 HIS A CA +793 C CA B HIS A 92 ? 0.5829 0.5495 0.5471 -0.0155 0.0277 -0.0105 92 HIS A CA +794 C C A HIS A 92 ? 0.6269 0.5975 0.5962 -0.0160 0.0252 -0.0103 92 HIS A C +795 C C B HIS A 92 ? 0.6277 0.5983 0.5970 -0.0159 0.0252 -0.0103 92 HIS A C +796 O O A HIS A 92 ? 0.6069 0.5750 0.5744 -0.0170 0.0228 -0.0090 92 HIS A O +797 O O B HIS A 92 ? 0.6071 0.5751 0.5746 -0.0167 0.0227 -0.0090 92 HIS A O +798 C CB A HIS A 92 ? 0.5308 0.4969 0.4935 -0.0184 0.0308 -0.0102 92 HIS A CB +799 C CB B HIS A 92 ? 0.5276 0.4938 0.4903 -0.0184 0.0308 -0.0102 92 HIS A CB +800 C CG A HIS A 92 ? 0.6319 0.5960 0.5911 -0.0179 0.0340 -0.0109 92 HIS A CG +801 C CG B HIS A 92 ? 0.6323 0.5964 0.5916 -0.0179 0.0341 -0.0109 92 HIS A CG +802 N ND1 A HIS A 92 ? 0.7040 0.6718 0.6660 -0.0189 0.0377 -0.0120 92 HIS A ND1 +803 N ND1 B HIS A 92 ? 0.7061 0.6741 0.6683 -0.0188 0.0377 -0.0120 92 HIS A ND1 +804 C CD2 A HIS A 92 ? 0.6299 0.5883 0.5829 -0.0168 0.0342 -0.0106 92 HIS A CD2 +805 C CD2 B HIS A 92 ? 0.6302 0.5886 0.5832 -0.0168 0.0343 -0.0106 92 HIS A CD2 +806 C CE1 A HIS A 92 ? 0.6832 0.6478 0.6407 -0.0182 0.0401 -0.0123 92 HIS A CE1 +807 C CE1 B HIS A 92 ? 0.6834 0.6483 0.6412 -0.0181 0.0401 -0.0124 92 HIS A CE1 +808 N NE2 A HIS A 92 ? 0.6491 0.6078 0.6010 -0.0169 0.0380 -0.0115 92 HIS A NE2 +809 N NE2 B HIS A 92 ? 0.6489 0.6079 0.6010 -0.0168 0.0380 -0.0116 92 HIS A NE2 +810 N N A PHE A 93 ? 0.6271 0.6041 0.6028 -0.0150 0.0257 -0.0116 93 PHE A N +811 N N B PHE A 93 ? 0.6285 0.6056 0.6042 -0.0152 0.0259 -0.0116 93 PHE A N +812 C CA A PHE A 93 ? 0.6317 0.6132 0.6127 -0.0153 0.0236 -0.0117 93 PHE A CA +813 C CA B PHE A 93 ? 0.6315 0.6132 0.6127 -0.0154 0.0238 -0.0118 93 PHE A CA +814 C C A PHE A 93 ? 0.6727 0.6557 0.6550 -0.0188 0.0247 -0.0113 93 PHE A C +815 C C B PHE A 93 ? 0.6743 0.6575 0.6568 -0.0188 0.0249 -0.0113 93 PHE A C +816 O O A PHE A 93 ? 0.6127 0.5976 0.5961 -0.0204 0.0280 -0.0119 93 PHE A O +817 O O B PHE A 93 ? 0.6133 0.5986 0.5971 -0.0205 0.0281 -0.0120 93 PHE A O +818 C CB A PHE A 93 ? 0.6525 0.6406 0.6399 -0.0132 0.0240 -0.0135 93 PHE A CB +819 C CB B PHE A 93 ? 0.6516 0.6398 0.6391 -0.0133 0.0242 -0.0136 93 PHE A CB +820 C CG A PHE A 93 ? 0.6947 0.6875 0.6875 -0.0128 0.0214 -0.0138 93 PHE A CG +821 C CG B PHE A 93 ? 0.6956 0.6885 0.6885 -0.0128 0.0216 -0.0139 93 PHE A CG +822 C CD1 A PHE A 93 ? 0.7043 0.6944 0.6955 -0.0115 0.0178 -0.0128 93 PHE A CD1 +823 C CD1 B PHE A 93 ? 0.7039 0.6941 0.6951 -0.0116 0.0180 -0.0129 93 PHE A CD1 +824 C CD2 A PHE A 93 ? 0.7590 0.7590 0.7586 -0.0135 0.0225 -0.0152 93 PHE A CD2 +825 C CD2 B PHE A 93 ? 0.7588 0.7589 0.7585 -0.0134 0.0227 -0.0153 93 PHE A CD2 +826 C CE1 A PHE A 93 ? 0.7855 0.7797 0.7813 -0.0109 0.0154 -0.0131 93 PHE A CE1 +827 C CE1 B PHE A 93 ? 0.7871 0.7814 0.7829 -0.0110 0.0155 -0.0132 93 PHE A CE1 +828 C CE2 A PHE A 93 ? 0.8140 0.8184 0.8185 -0.0129 0.0199 -0.0156 93 PHE A CE2 +829 C CE2 B PHE A 93 ? 0.8149 0.8194 0.8195 -0.0128 0.0201 -0.0157 93 PHE A CE2 +830 C CZ A PHE A 93 ? 0.7698 0.7711 0.7721 -0.0116 0.0163 -0.0145 93 PHE A CZ +831 C CZ B PHE A 93 ? 0.7703 0.7717 0.7727 -0.0115 0.0165 -0.0146 93 PHE A CZ +832 N N A TYR A 94 ? 0.6265 0.6084 0.6084 -0.0199 0.0222 -0.0102 94 TYR A N +833 N N B TYR A 94 ? 0.6273 0.6093 0.6094 -0.0200 0.0223 -0.0102 94 TYR A N +834 C CA A TYR A 94 ? 0.6277 0.6097 0.6097 -0.0232 0.0230 -0.0095 94 TYR A CA +835 C CA B TYR A 94 ? 0.6276 0.6096 0.6097 -0.0232 0.0231 -0.0096 94 TYR A CA +836 C C A TYR A 94 ? 0.6305 0.6167 0.6175 -0.0237 0.0208 -0.0097 94 TYR A C +837 C C B TYR A 94 ? 0.6310 0.6172 0.6181 -0.0237 0.0208 -0.0097 94 TYR A C +838 O O A TYR A 94 ? 0.5884 0.5720 0.5734 -0.0246 0.0186 -0.0085 94 TYR A O +839 O O B TYR A 94 ? 0.5879 0.5715 0.5730 -0.0246 0.0186 -0.0085 94 TYR A O +840 C CB A TYR A 94 ? 0.5996 0.5746 0.5748 -0.0244 0.0224 -0.0078 94 TYR A CB +841 C CB B TYR A 94 ? 0.5990 0.5741 0.5742 -0.0244 0.0225 -0.0078 94 TYR A CB +842 C CG A TYR A 94 ? 0.5963 0.5700 0.5700 -0.0276 0.0238 -0.0071 94 TYR A CG +843 C CG B TYR A 94 ? 0.5961 0.5698 0.5698 -0.0276 0.0239 -0.0071 94 TYR A CG +844 C CD1 A TYR A 94 ? 0.6126 0.5881 0.5873 -0.0294 0.0274 -0.0078 94 TYR A CD1 +845 C CD1 B TYR A 94 ? 0.6120 0.5875 0.5867 -0.0295 0.0275 -0.0078 94 TYR A CD1 +846 C CD2 A TYR A 94 ? 0.6353 0.6057 0.6062 -0.0288 0.0218 -0.0057 94 TYR A CD2 +847 C CD2 B TYR A 94 ? 0.6368 0.6072 0.6078 -0.0288 0.0218 -0.0057 94 TYR A CD2 +848 C CE1 A TYR A 94 ? 0.6664 0.6401 0.6393 -0.0324 0.0288 -0.0071 94 TYR A CE1 +849 C CE1 B TYR A 94 ? 0.6675 0.6412 0.6404 -0.0324 0.0288 -0.0071 94 TYR A CE1 +850 C CE2 A TYR A 94 ? 0.5750 0.5437 0.5441 -0.0316 0.0231 -0.0050 94 TYR A CE2 +851 C CE2 B TYR A 94 ? 0.5740 0.5426 0.5431 -0.0316 0.0231 -0.0050 94 TYR A CE2 +852 C CZ A TYR A 94 ? 0.6235 0.5937 0.5935 -0.0334 0.0266 -0.0057 94 TYR A CZ +853 C CZ B TYR A 94 ? 0.6240 0.5941 0.5939 -0.0334 0.0266 -0.0057 94 TYR A CZ +854 O OH A TYR A 94 ? 0.6045 0.5724 0.5723 -0.0362 0.0279 -0.0050 94 TYR A OH +855 O OH B TYR A 94 ? 0.6041 0.5719 0.5718 -0.0362 0.0279 -0.0049 94 TYR A OH +856 N N . PRO A 95 ? 0.6711 0.6640 0.6646 -0.0232 0.0213 -0.0113 95 PRO A N +857 C CA . PRO A 95 ? 0.6320 0.6290 0.6302 -0.0240 0.0192 -0.0116 95 PRO A CA +858 C C . PRO A 95 ? 0.6460 0.6433 0.6445 -0.0277 0.0209 -0.0113 95 PRO A C +859 O O . PRO A 95 ? 0.6678 0.6628 0.6636 -0.0295 0.0238 -0.0111 95 PRO A O +860 C CB . PRO A 95 ? 0.6358 0.6399 0.6408 -0.0222 0.0196 -0.0136 95 PRO A CB +861 C CG . PRO A 95 ? 0.7230 0.7277 0.7277 -0.0224 0.0233 -0.0144 95 PRO A CG +862 C CD . PRO A 95 ? 0.6098 0.6069 0.6068 -0.0221 0.0239 -0.0129 95 PRO A CD +863 N N . ILE A 96 ? 0.6087 0.6085 0.6103 -0.0287 0.0188 -0.0113 96 ILE A N +864 C CA . ILE A 96 ? 0.5916 0.5913 0.5934 -0.0322 0.0200 -0.0111 96 ILE A CA +865 C C . ILE A 96 ? 0.6110 0.6144 0.6160 -0.0342 0.0238 -0.0124 96 ILE A C +866 O O . ILE A 96 ? 0.6458 0.6464 0.6479 -0.0369 0.0262 -0.0118 96 ILE A O +867 C CB . ILE A 96 ? 0.6438 0.6466 0.6493 -0.0327 0.0171 -0.0113 96 ILE A CB +868 C CG1 . ILE A 96 ? 0.6131 0.6114 0.6146 -0.0312 0.0137 -0.0098 96 ILE A CG1 +869 C CG2 . ILE A 96 ? 0.6213 0.6246 0.6277 -0.0363 0.0185 -0.0113 96 ILE A CG2 +870 C CD1 . ILE A 96 ? 0.6838 0.6844 0.6881 -0.0318 0.0110 -0.0099 96 ILE A CD1 +871 N N . TRP A 97 ? 0.6167 0.6264 0.6275 -0.0328 0.0246 -0.0141 97 TRP A N +872 C CA . TRP A 97 ? 0.6902 0.7042 0.7048 -0.0348 0.0283 -0.0155 97 TRP A CA +873 C C . TRP A 97 ? 0.6895 0.6999 0.6998 -0.0350 0.0318 -0.0152 97 TRP A C +874 O O . TRP A 97 ? 0.7581 0.7716 0.7709 -0.0368 0.0353 -0.0162 97 TRP A O +875 C CB . TRP A 97 ? 0.6386 0.6610 0.6612 -0.0331 0.0279 -0.0176 97 TRP A CB +876 C CG . TRP A 97 ? 0.6902 0.7131 0.7129 -0.0290 0.0268 -0.0181 97 TRP A CG +877 C CD1 . TRP A 97 ? 0.6142 0.6374 0.6363 -0.0275 0.0293 -0.0187 97 TRP A CD1 +878 C CD2 . TRP A 97 ? 0.6953 0.7186 0.7186 -0.0259 0.0228 -0.0179 97 TRP A CD2 +879 N NE1 . TRP A 97 ? 0.6338 0.6573 0.6561 -0.0236 0.0272 -0.0190 97 TRP A NE1 +880 C CE2 . TRP A 97 ? 0.6784 0.7019 0.7014 -0.0226 0.0232 -0.0185 97 TRP A CE2 +881 C CE3 . TRP A 97 ? 0.5849 0.6079 0.6087 -0.0256 0.0191 -0.0173 97 TRP A CE3 +882 C CZ2 . TRP A 97 ? 0.6638 0.6870 0.6869 -0.0190 0.0200 -0.0184 97 TRP A CZ2 +883 C CZ3 . TRP A 97 ? 0.5941 0.6170 0.6179 -0.0220 0.0160 -0.0173 97 TRP A CZ3 +884 C CH2 . TRP A 97 ? 0.6292 0.6521 0.6526 -0.0188 0.0164 -0.0178 97 TRP A CH2 +885 N N . GLU A 98 ? 0.7526 0.7568 0.7564 -0.0333 0.0311 -0.0139 98 GLU A N +886 C CA . GLU A 98 ? 0.6440 0.6441 0.6429 -0.0337 0.0343 -0.0134 98 GLU A CA +887 C C . GLU A 98 ? 0.7274 0.7213 0.7203 -0.0365 0.0354 -0.0119 98 GLU A C +888 O O . GLU A 98 ? 0.8045 0.7947 0.7929 -0.0372 0.0382 -0.0115 98 GLU A O +889 C CB . GLU A 98 ? 0.7009 0.6973 0.6958 -0.0304 0.0331 -0.0130 98 GLU A CB +890 C CG . GLU A 98 ? 0.8280 0.8295 0.8274 -0.0275 0.0336 -0.0147 98 GLU A CG +891 C CD . GLU A 98 ? 0.7909 0.7958 0.7928 -0.0287 0.0379 -0.0160 98 GLU A CD +892 O OE1 . GLU A 98 ? 1.0731 1.0735 1.0699 -0.0301 0.0406 -0.0153 98 GLU A OE1 +893 O OE2 . GLU A 98 ? 1.0074 1.0196 1.0164 -0.0283 0.0386 -0.0177 98 GLU A OE2 +894 N N . ALA A 99 ? 0.6917 0.6842 0.6841 -0.0379 0.0331 -0.0110 99 ALA A N +895 C CA . ALA A 99 ? 0.6576 0.6444 0.6446 -0.0405 0.0338 -0.0095 99 ALA A CA +896 C C . ALA A 99 ? 0.7503 0.7399 0.7404 -0.0440 0.0363 -0.0101 99 ALA A C +897 O O . ALA A 99 ? 0.6560 0.6519 0.6528 -0.0446 0.0360 -0.0115 99 ALA A O +898 C CB . ALA A 99 ? 0.6092 0.5928 0.5938 -0.0400 0.0300 -0.0081 99 ALA A CB +899 N N . ALA A 100 ? 0.6864 0.6708 0.6712 -0.0463 0.0388 -0.0092 100 ALA A N +900 C CA . ALA A 100 ? 0.7736 0.7595 0.7604 -0.0499 0.0411 -0.0096 100 ALA A CA +901 C C . ALA A 100 ? 0.8237 0.8101 0.8123 -0.0512 0.0383 -0.0092 100 ALA A C +902 O O . ALA A 100 ? 0.7996 0.7894 0.7923 -0.0539 0.0395 -0.0101 100 ALA A O +903 C CB . ALA A 100 ? 0.5953 0.5747 0.5752 -0.0518 0.0442 -0.0084 100 ALA A CB +904 N N . SER A 101 ? 0.7057 0.6889 0.6914 -0.0495 0.0348 -0.0080 101 SER A N +905 C CA . SER A 101 ? 0.6699 0.6530 0.6566 -0.0505 0.0320 -0.0076 101 SER A CA +906 C C . SER A 101 ? 0.7119 0.6933 0.6969 -0.0476 0.0281 -0.0068 101 SER A C +907 O O . SER A 101 ? 0.6381 0.6167 0.6197 -0.0453 0.0276 -0.0061 101 SER A O +908 C CB . SER A 101 ? 0.6278 0.6052 0.6094 -0.0532 0.0331 -0.0064 101 SER A CB +909 O OG . SER A 101 ? 0.6827 0.6532 0.6568 -0.0521 0.0330 -0.0047 101 SER A OG +910 N N . LEU A 102 ? 0.6598 0.6428 0.6472 -0.0478 0.0253 -0.0067 102 LEU A N +911 C CA . LEU A 102 ? 0.6599 0.6404 0.6450 -0.0455 0.0217 -0.0057 102 LEU A CA +912 C C . LEU A 102 ? 0.6032 0.5763 0.5807 -0.0454 0.0216 -0.0039 102 LEU A C +913 O O . LEU A 102 ? 0.6832 0.6539 0.6580 -0.0430 0.0196 -0.0031 102 LEU A O +914 C CB . LEU A 102 ? 0.6427 0.6255 0.6308 -0.0461 0.0190 -0.0059 102 LEU A CB +915 C CG . LEU A 102 ? 0.6935 0.6830 0.6882 -0.0444 0.0175 -0.0074 102 LEU A CG +916 C CD1 . LEU A 102 ? 0.7713 0.7635 0.7694 -0.0457 0.0155 -0.0079 102 LEU A CD1 +917 C CD2 . LEU A 102 ? 0.6768 0.6654 0.6702 -0.0409 0.0151 -0.0069 102 LEU A CD2 +918 N N . ASP A 103 ? 0.6243 0.5937 0.5982 -0.0478 0.0236 -0.0032 103 ASP A N +919 C CA . ASP A 103 ? 0.5754 0.5378 0.5421 -0.0476 0.0233 -0.0015 103 ASP A CA +920 C C . ASP A 103 ? 0.7312 0.6912 0.6945 -0.0459 0.0244 -0.0012 103 ASP A C +921 O O . ASP A 103 ? 0.6251 0.5808 0.5838 -0.0444 0.0228 -0.0001 103 ASP A O +922 C CB . ASP A 103 ? 0.7761 0.7348 0.7396 -0.0505 0.0253 -0.0009 103 ASP A CB +923 C CG . ASP A 103 ? 0.7764 0.7363 0.7422 -0.0521 0.0238 -0.0011 103 ASP A CG +924 O OD1 . ASP A 103 ? 0.9798 0.9394 0.9456 -0.0508 0.0207 -0.0005 103 ASP A OD1 +925 O OD2 . ASP A 103 ? 0.8944 0.8558 0.8623 -0.0548 0.0259 -0.0018 103 ASP A OD2 +926 N N . GLU A 104 ? 0.6338 0.5964 0.5991 -0.0462 0.0272 -0.0023 104 GLU A N +927 C CA . GLU A 104 ? 0.6325 0.5932 0.5949 -0.0443 0.0282 -0.0022 104 GLU A CA +928 C C . GLU A 104 ? 0.6245 0.5867 0.5884 -0.0413 0.0254 -0.0024 104 GLU A C +929 O O . GLU A 104 ? 0.6426 0.6008 0.6019 -0.0397 0.0242 -0.0015 104 GLU A O +930 C CB . GLU A 104 ? 0.6705 0.6344 0.6355 -0.0451 0.0318 -0.0035 104 GLU A CB +931 C CG . GLU A 104 ? 0.6365 0.5988 0.5987 -0.0430 0.0330 -0.0037 104 GLU A CG +932 C CD . GLU A 104 ? 0.7499 0.7177 0.7171 -0.0429 0.0357 -0.0054 104 GLU A CD +933 O OE1 . GLU A 104 ? 0.6890 0.6582 0.6576 -0.0454 0.0388 -0.0059 104 GLU A OE1 +934 O OE2 . GLU A 104 ? 0.6968 0.6675 0.6667 -0.0404 0.0347 -0.0062 104 GLU A OE2 +935 N N . TRP A 105 ? 0.6016 0.5697 0.5718 -0.0406 0.0242 -0.0035 105 TRP A N +936 C CA . TRP A 105 ? 0.5834 0.5534 0.5555 -0.0377 0.0216 -0.0038 105 TRP A CA +937 C C . TRP A 105 ? 0.6678 0.6335 0.6360 -0.0367 0.0185 -0.0023 105 TRP A C +938 O O . TRP A 105 ? 0.6622 0.6261 0.6285 -0.0345 0.0171 -0.0020 105 TRP A O +939 C CB . TRP A 105 ? 0.6023 0.5789 0.5816 -0.0376 0.0206 -0.0051 105 TRP A CB +940 C CG . TRP A 105 ? 0.6298 0.6091 0.6118 -0.0346 0.0183 -0.0057 105 TRP A CG +941 C CD1 . TRP A 105 ? 0.5510 0.5320 0.5342 -0.0325 0.0192 -0.0066 105 TRP A CD1 +942 C CD2 . TRP A 105 ? 0.5858 0.5664 0.5697 -0.0333 0.0149 -0.0055 105 TRP A CD2 +943 N NE1 . TRP A 105 ? 0.6456 0.6285 0.6311 -0.0299 0.0164 -0.0068 105 TRP A NE1 +944 C CE2 . TRP A 105 ? 0.6700 0.6527 0.6559 -0.0304 0.0138 -0.0061 105 TRP A CE2 +945 C CE3 . TRP A 105 ? 0.6569 0.6366 0.6406 -0.0342 0.0127 -0.0047 105 TRP A CE3 +946 C CZ2 . TRP A 105 ? 0.6789 0.6627 0.6664 -0.0285 0.0106 -0.0061 105 TRP A CZ2 +947 C CZ3 . TRP A 105 ? 0.6255 0.6066 0.6109 -0.0323 0.0096 -0.0047 105 TRP A CZ3 +948 C CH2 . TRP A 105 ? 0.6434 0.6265 0.6306 -0.0296 0.0086 -0.0053 105 TRP A CH2 +949 N N . LEU A 106 ? 0.6279 0.5919 0.5949 -0.0383 0.0175 -0.0015 106 LEU A N +950 C CA . LEU A 106 ? 0.6794 0.6397 0.6431 -0.0375 0.0147 -0.0002 106 LEU A CA +951 C C . LEU A 106 ? 0.5707 0.5252 0.5280 -0.0371 0.0152 0.0009 106 LEU A C +952 O O . LEU A 106 ? 0.6849 0.6370 0.6397 -0.0355 0.0131 0.0016 106 LEU A O +953 C CB . LEU A 106 ? 0.5884 0.5485 0.5526 -0.0393 0.0137 0.0003 106 LEU A CB +954 C CG . LEU A 106 ? 0.6639 0.6294 0.6341 -0.0394 0.0125 -0.0008 106 LEU A CG +955 C CD1 . LEU A 106 ? 0.5870 0.5518 0.5570 -0.0417 0.0122 -0.0004 106 LEU A CD1 +956 C CD2 . LEU A 106 ? 0.5361 0.5031 0.5079 -0.0369 0.0095 -0.0007 106 LEU A CD2 +957 N N A TYR A 107 ? 0.5832 0.5352 0.5375 -0.0388 0.0179 0.0011 107 TYR A N +958 N N B TYR A 107 ? 0.5825 0.5346 0.5369 -0.0388 0.0178 0.0011 107 TYR A N +959 C CA A TYR A 107 ? 0.6193 0.5657 0.5672 -0.0384 0.0183 0.0021 107 TYR A CA +960 C CA B TYR A 107 ? 0.6201 0.5666 0.5681 -0.0384 0.0183 0.0021 107 TYR A CA +961 C C A TYR A 107 ? 0.6238 0.5698 0.5706 -0.0362 0.0181 0.0017 107 TYR A C +962 C C B TYR A 107 ? 0.6241 0.5702 0.5710 -0.0362 0.0181 0.0017 107 TYR A C +963 O O A TYR A 107 ? 0.6397 0.5817 0.5821 -0.0351 0.0169 0.0025 107 TYR A O +964 O O B TYR A 107 ? 0.6410 0.5830 0.5835 -0.0351 0.0169 0.0025 107 TYR A O +965 C CB A TYR A 107 ? 0.5675 0.5116 0.5125 -0.0405 0.0215 0.0022 107 TYR A CB +966 C CB B TYR A 107 ? 0.5656 0.5098 0.5108 -0.0405 0.0216 0.0021 107 TYR A CB +967 C CG A TYR A 107 ? 0.6179 0.5559 0.5558 -0.0401 0.0221 0.0032 107 TYR A CG +968 C CG B TYR A 107 ? 0.6185 0.5567 0.5566 -0.0401 0.0221 0.0031 107 TYR A CG +969 C CD1 A TYR A 107 ? 0.5954 0.5322 0.5311 -0.0389 0.0234 0.0028 107 TYR A CD1 +970 C CD1 B TYR A 107 ? 0.5948 0.5318 0.5307 -0.0390 0.0236 0.0027 107 TYR A CD1 +971 C CD2 A TYR A 107 ? 0.6007 0.5342 0.5342 -0.0408 0.0211 0.0045 107 TYR A CD2 +972 C CD2 B TYR A 107 ? 0.6001 0.5338 0.5338 -0.0407 0.0210 0.0044 107 TYR A CD2 +973 C CE1 A TYR A 107 ? 0.5868 0.5180 0.5159 -0.0385 0.0237 0.0037 107 TYR A CE1 +974 C CE1 B TYR A 107 ? 0.5866 0.5180 0.5159 -0.0386 0.0239 0.0036 107 TYR A CE1 +975 C CE2 A TYR A 107 ? 0.5908 0.5189 0.5178 -0.0403 0.0214 0.0053 107 TYR A CE2 +976 C CE2 B TYR A 107 ? 0.5906 0.5189 0.5178 -0.0402 0.0213 0.0053 107 TYR A CE2 +977 C CZ A TYR A 107 ? 0.6459 0.5729 0.5707 -0.0392 0.0227 0.0049 107 TYR A CZ +978 C CZ B TYR A 107 ? 0.6468 0.5740 0.5719 -0.0392 0.0227 0.0048 107 TYR A CZ +979 O OH A TYR A 107 ? 0.6102 0.5316 0.5283 -0.0387 0.0228 0.0057 107 TYR A OH +980 O OH B TYR A 107 ? 0.6123 0.5341 0.5308 -0.0386 0.0228 0.0056 107 TYR A OH +981 N N A ASN A 108 ? 0.6263 0.5764 0.5772 -0.0355 0.0193 0.0005 108 ASN A N +982 N N B ASN A 108 ? 0.6260 0.5763 0.5771 -0.0354 0.0192 0.0005 108 ASN A N +983 C CA A ASN A 108 ? 0.6052 0.5547 0.5549 -0.0335 0.0196 0.0000 108 ASN A CA +984 C CA B ASN A 108 ? 0.6052 0.5548 0.5550 -0.0334 0.0196 0.0000 108 ASN A CA +985 C C A ASN A 108 ? 0.6698 0.6212 0.6221 -0.0312 0.0169 -0.0003 108 ASN A C +986 C C B ASN A 108 ? 0.6714 0.6228 0.6236 -0.0312 0.0168 -0.0002 108 ASN A C +987 O O A ASN A 108 ? 0.6632 0.6146 0.6152 -0.0294 0.0170 -0.0008 108 ASN A O +988 O O B ASN A 108 ? 0.6648 0.6161 0.6167 -0.0294 0.0169 -0.0008 108 ASN A O +989 C CB A ASN A 108 ? 0.5690 0.5215 0.5211 -0.0338 0.0229 -0.0013 108 ASN A CB +990 C CB B ASN A 108 ? 0.5657 0.5185 0.5182 -0.0338 0.0228 -0.0013 108 ASN A CB +991 C CG A ASN A 108 ? 0.6854 0.6344 0.6331 -0.0356 0.0259 -0.0009 108 ASN A CG +992 C CG B ASN A 108 ? 0.6880 0.6376 0.6364 -0.0356 0.0258 -0.0010 108 ASN A CG +993 O OD1 A ASN A 108 ? 0.7352 0.6802 0.6779 -0.0349 0.0267 -0.0006 108 ASN A OD1 +994 O OD1 B ASN A 108 ? 0.7361 0.6818 0.6796 -0.0349 0.0268 -0.0007 108 ASN A OD1 +995 N ND2 A ASN A 108 ? 0.6558 0.6061 0.6050 -0.0381 0.0275 -0.0009 108 ASN A ND2 +996 N ND2 B ASN A 108 ? 0.6615 0.6124 0.6115 -0.0380 0.0273 -0.0010 108 ASN A ND2 +997 N N A GLY A 109 ? 0.6007 0.5534 0.5551 -0.0313 0.0144 0.0002 109 GLY A N +998 N N B GLY A 109 ? 0.6002 0.5529 0.5546 -0.0313 0.0143 0.0002 109 GLY A N +999 C CA A GLY A 109 ? 0.5978 0.5516 0.5540 -0.0293 0.0118 0.0001 109 GLY A CA +1000 C CA B GLY A 109 ? 0.5980 0.5518 0.5542 -0.0292 0.0117 0.0001 109 GLY A CA +1001 C C A GLY A 109 ? 0.6473 0.6065 0.6091 -0.0281 0.0118 -0.0012 109 GLY A C +1002 C C B GLY A 109 ? 0.6488 0.6079 0.6105 -0.0280 0.0118 -0.0012 109 GLY A C +1003 O O A GLY A 109 ? 0.5917 0.5511 0.5542 -0.0260 0.0101 -0.0014 109 GLY A O +1004 O O B GLY A 109 ? 0.5904 0.5499 0.5530 -0.0259 0.0102 -0.0014 109 GLY A O +1005 N N A GLY A 110 ? 0.6723 0.6356 0.6381 -0.0294 0.0135 -0.0021 110 GLY A N +1006 N N B GLY A 110 ? 0.6749 0.6381 0.6406 -0.0294 0.0135 -0.0021 110 GLY A N +1007 C CA A GLY A 110 ? 0.5898 0.5587 0.5615 -0.0283 0.0132 -0.0034 110 GLY A CA +1008 C CA B GLY A 110 ? 0.5892 0.5581 0.5609 -0.0284 0.0133 -0.0034 110 GLY A CA +1009 C C A GLY A 110 ? 0.6328 0.6032 0.6067 -0.0266 0.0100 -0.0033 110 GLY A C +1010 C C B GLY A 110 ? 0.6337 0.6039 0.6074 -0.0267 0.0101 -0.0033 110 GLY A C +1011 O O A GLY A 110 ? 0.6411 0.6140 0.6176 -0.0245 0.0093 -0.0041 110 GLY A O +1012 O O B GLY A 110 ? 0.6437 0.6160 0.6197 -0.0244 0.0093 -0.0040 110 GLY A O +1013 N N A PRO A 111 ? 0.6095 0.5783 0.5823 -0.0275 0.0080 -0.0023 111 PRO A N +1014 N N B PRO A 111 ? 0.6099 0.5788 0.5828 -0.0276 0.0081 -0.0023 111 PRO A N +1015 C CA A PRO A 111 ? 0.5953 0.5653 0.5700 -0.0260 0.0051 -0.0021 111 PRO A CA +1016 C CA B PRO A 111 ? 0.5955 0.5655 0.5701 -0.0260 0.0051 -0.0021 111 PRO A CA +1017 C C A PRO A 111 ? 0.5754 0.5431 0.5480 -0.0235 0.0036 -0.0018 111 PRO A C +1018 C C B PRO A 111 ? 0.5740 0.5418 0.5467 -0.0235 0.0037 -0.0018 111 PRO A C +1019 O O A PRO A 111 ? 0.5854 0.5553 0.5606 -0.0216 0.0019 -0.0023 111 PRO A O +1020 O O B PRO A 111 ? 0.5849 0.5551 0.5603 -0.0216 0.0021 -0.0024 111 PRO A O +1021 C CB A PRO A 111 ? 0.5608 0.5284 0.5333 -0.0276 0.0037 -0.0009 111 PRO A CB +1022 C CB B PRO A 111 ? 0.5604 0.5278 0.5327 -0.0276 0.0038 -0.0008 111 PRO A CB +1023 C CG A PRO A 111 ? 0.5948 0.5625 0.5671 -0.0301 0.0060 -0.0010 111 PRO A CG +1024 C CG B PRO A 111 ? 0.5951 0.5625 0.5671 -0.0301 0.0060 -0.0009 111 PRO A CG +1025 C CD A PRO A 111 ? 0.5445 0.5112 0.5152 -0.0300 0.0086 -0.0014 111 PRO A CD +1026 C CD B PRO A 111 ? 0.5420 0.5087 0.5127 -0.0301 0.0087 -0.0014 111 PRO A CD +1027 N N A TYR A 112 ? 0.6610 0.6241 0.6289 -0.0234 0.0042 -0.0011 112 TYR A N +1028 N N B TYR A 112 ? 0.6630 0.6261 0.6309 -0.0234 0.0042 -0.0011 112 TYR A N +1029 C CA A TYR A 112 ? 0.6210 0.5815 0.5867 -0.0212 0.0028 -0.0008 112 TYR A CA +1030 C CA B TYR A 112 ? 0.6221 0.5827 0.5879 -0.0212 0.0029 -0.0009 112 TYR A CA +1031 C C A TYR A 112 ? 0.6151 0.5786 0.5838 -0.0191 0.0033 -0.0022 112 TYR A C +1032 C C B TYR A 112 ? 0.6156 0.5792 0.5844 -0.0191 0.0034 -0.0022 112 TYR A C +1033 O O A TYR A 112 ? 0.6111 0.5749 0.5808 -0.0171 0.0015 -0.0022 112 TYR A O +1034 O O B TYR A 112 ? 0.6117 0.5757 0.5815 -0.0171 0.0015 -0.0023 112 TYR A O +1035 C CB A TYR A 112 ? 0.6369 0.5924 0.5973 -0.0216 0.0037 -0.0002 112 TYR A CB +1036 C CB B TYR A 112 ? 0.6375 0.5931 0.5980 -0.0216 0.0038 -0.0002 112 TYR A CB +1037 C CG A TYR A 112 ? 0.6380 0.5903 0.5957 -0.0197 0.0024 0.0001 112 TYR A CG +1038 C CG B TYR A 112 ? 0.6387 0.5911 0.5965 -0.0196 0.0025 0.0000 112 TYR A CG +1039 C CD1 A TYR A 112 ? 0.5646 0.5146 0.5208 -0.0193 0.0000 0.0010 112 TYR A CD1 +1040 C CD1 B TYR A 112 ? 0.5642 0.5142 0.5204 -0.0193 0.0001 0.0010 112 TYR A CD1 +1041 C CD2 A TYR A 112 ? 0.5873 0.5388 0.5440 -0.0183 0.0037 -0.0008 112 TYR A CD2 +1042 C CD2 B TYR A 112 ? 0.5868 0.5384 0.5435 -0.0183 0.0038 -0.0008 112 TYR A CD2 +1043 C CE1 A TYR A 112 ? 0.5683 0.5152 0.5220 -0.0178 -0.0011 0.0012 112 TYR A CE1 +1044 C CE1 B TYR A 112 ? 0.5675 0.5144 0.5211 -0.0178 -0.0011 0.0012 112 TYR A CE1 +1045 C CE2 A TYR A 112 ? 0.5936 0.5418 0.5476 -0.0167 0.0025 -0.0006 112 TYR A CE2 +1046 C CE2 B TYR A 112 ? 0.5927 0.5409 0.5467 -0.0166 0.0025 -0.0007 112 TYR A CE2 +1047 C CZ A TYR A 112 ? 0.5832 0.5291 0.5358 -0.0165 0.0001 0.0004 112 TYR A CZ +1048 C CZ B TYR A 112 ? 0.5833 0.5292 0.5358 -0.0165 0.0001 0.0004 112 TYR A CZ +1049 O OH A TYR A 112 ? 0.6095 0.5520 0.5595 -0.0152 -0.0010 0.0005 112 TYR A OH +1050 O OH B TYR A 112 ? 0.6104 0.5529 0.5603 -0.0152 -0.0010 0.0005 112 TYR A OH +1051 N N A GLN A 113 ? 0.5561 0.5217 0.5262 -0.0194 0.0059 -0.0032 113 GLN A N +1052 N N B GLN A 113 ? 0.5555 0.5213 0.5258 -0.0194 0.0060 -0.0032 113 GLN A N +1053 C CA A GLN A 113 ? 0.5952 0.5642 0.5686 -0.0173 0.0066 -0.0046 113 GLN A CA +1054 C CA B GLN A 113 ? 0.5963 0.5654 0.5697 -0.0173 0.0067 -0.0046 113 GLN A CA +1055 C C A GLN A 113 ? 0.6058 0.5797 0.5844 -0.0163 0.0049 -0.0053 113 GLN A C +1056 C C B GLN A 113 ? 0.6066 0.5807 0.5854 -0.0163 0.0051 -0.0053 113 GLN A C +1057 O O A GLN A 113 ? 0.6243 0.5991 0.6042 -0.0138 0.0037 -0.0058 113 GLN A O +1058 O O B GLN A 113 ? 0.6262 0.6013 0.6064 -0.0137 0.0039 -0.0059 113 GLN A O +1059 C CB A GLN A 113 ? 0.6207 0.5917 0.5952 -0.0182 0.0099 -0.0056 113 GLN A CB +1060 C CB B GLN A 113 ? 0.6209 0.5920 0.5954 -0.0182 0.0100 -0.0056 113 GLN A CB +1061 C CG A GLN A 113 ? 0.5931 0.5594 0.5624 -0.0181 0.0115 -0.0053 113 GLN A CG +1062 C CG B GLN A 113 ? 0.5930 0.5594 0.5624 -0.0178 0.0116 -0.0054 113 GLN A CG +1063 C CD A GLN A 113 ? 0.6709 0.6396 0.6416 -0.0180 0.0147 -0.0066 113 GLN A CD +1064 C CD B GLN A 113 ? 0.6718 0.6405 0.6425 -0.0178 0.0148 -0.0067 113 GLN A CD +1065 O OE1 A GLN A 113 ? 0.6593 0.6334 0.6353 -0.0174 0.0156 -0.0079 113 GLN A OE1 +1066 O OE1 B GLN A 113 ? 0.6607 0.6349 0.6367 -0.0175 0.0158 -0.0079 113 GLN A OE1 +1067 N NE2 A GLN A 113 ? 0.6052 0.5699 0.5713 -0.0185 0.0165 -0.0063 113 GLN A NE2 +1068 N NE2 B GLN A 113 ? 0.6049 0.5695 0.5708 -0.0182 0.0165 -0.0064 113 GLN A NE2 +1069 N N . LEU A 114 ? 0.5666 0.5435 0.5481 -0.0182 0.0049 -0.0053 114 LEU A N +1070 C CA . LEU A 114 ? 0.5959 0.5777 0.5824 -0.0173 0.0033 -0.0062 114 LEU A CA +1071 C C . LEU A 114 ? 0.6415 0.6211 0.6265 -0.0155 0.0002 -0.0053 114 LEU A C +1072 O O . LEU A 114 ? 0.5696 0.5516 0.5572 -0.0131 -0.0013 -0.0060 114 LEU A O +1073 C CB . LEU A 114 ? 0.5044 0.4893 0.4937 -0.0199 0.0037 -0.0063 114 LEU A CB +1074 C CG . LEU A 114 ? 0.5598 0.5506 0.5550 -0.0194 0.0024 -0.0075 114 LEU A CG +1075 C CD1 . LEU A 114 ? 0.5969 0.5914 0.5954 -0.0223 0.0040 -0.0082 114 LEU A CD1 +1076 C CD2 . LEU A 114 ? 0.5442 0.5339 0.5388 -0.0183 -0.0010 -0.0067 114 LEU A CD2 +1077 N N . ILE A 115 ? 0.6422 0.6169 0.6228 -0.0164 -0.0009 -0.0038 115 ILE A N +1078 C CA . ILE A 115 ? 0.5672 0.5397 0.5462 -0.0150 -0.0036 -0.0029 115 ILE A CA +1079 C C . ILE A 115 ? 0.5292 0.4995 0.5066 -0.0123 -0.0042 -0.0031 115 ILE A C +1080 O O . ILE A 115 ? 0.6228 0.5941 0.6016 -0.0102 -0.0060 -0.0033 115 ILE A O +1081 C CB . ILE A 115 ? 0.5954 0.5635 0.5703 -0.0167 -0.0044 -0.0013 115 ILE A CB +1082 C CG1 . ILE A 115 ? 0.5258 0.4962 0.5027 -0.0189 -0.0045 -0.0012 115 ILE A CG1 +1083 C CG2 . ILE A 115 ? 0.5094 0.4747 0.4823 -0.0152 -0.0069 -0.0004 115 ILE A CG2 +1084 C CD1 . ILE A 115 ? 0.5647 0.5316 0.5380 -0.0211 -0.0038 -0.0001 115 ILE A CD1 +1085 N N A ILE A 116 ? 0.5645 0.5315 0.5386 -0.0122 -0.0027 -0.0030 116 ILE A N +1086 N N B ILE A 116 ? 0.5641 0.5312 0.5383 -0.0122 -0.0027 -0.0030 116 ILE A N +1087 C CA A ILE A 116 ? 0.6155 0.5795 0.5873 -0.0098 -0.0035 -0.0030 116 ILE A CA +1088 C CA B ILE A 116 ? 0.6161 0.5800 0.5879 -0.0098 -0.0035 -0.0030 116 ILE A CA +1089 C C A ILE A 116 ? 0.6142 0.5819 0.5896 -0.0074 -0.0031 -0.0044 116 ILE A C +1090 C C B ILE A 116 ? 0.6145 0.5821 0.5898 -0.0073 -0.0031 -0.0044 116 ILE A C +1091 O O A ILE A 116 ? 0.6481 0.6145 0.6229 -0.0049 -0.0046 -0.0045 116 ILE A O +1092 O O B ILE A 116 ? 0.6482 0.6146 0.6230 -0.0049 -0.0047 -0.0045 116 ILE A O +1093 C CB A ILE A 116 ? 0.6368 0.5959 0.6038 -0.0104 -0.0023 -0.0025 116 ILE A CB +1094 C CB B ILE A 116 ? 0.6376 0.5968 0.6047 -0.0104 -0.0022 -0.0025 116 ILE A CB +1095 C CG1 A ILE A 116 ? 0.6313 0.5921 0.5991 -0.0110 0.0006 -0.0035 116 ILE A CG1 +1096 C CG1 B ILE A 116 ? 0.6318 0.5926 0.5995 -0.0110 0.0006 -0.0035 116 ILE A CG1 +1097 C CG2 A ILE A 116 ? 0.6194 0.5748 0.5829 -0.0125 -0.0031 -0.0010 116 ILE A CG2 +1098 C CG2 B ILE A 116 ? 0.6207 0.5763 0.5843 -0.0126 -0.0030 -0.0010 116 ILE A CG2 +1099 C CD1 A ILE A 116 ? 0.7383 0.6945 0.7014 -0.0109 0.0017 -0.0033 116 ILE A CD1 +1100 C CD1 B ILE A 116 ? 0.7402 0.6964 0.7033 -0.0108 0.0017 -0.0034 116 ILE A CD1 +1101 N N A PHE A 117 ? 0.5999 0.5721 0.5789 -0.0079 -0.0010 -0.0057 117 PHE A N +1102 N N B PHE A 117 ? 0.6000 0.5720 0.5788 -0.0078 -0.0010 -0.0057 117 PHE A N +1103 C CA A PHE A 117 ? 0.7035 0.6797 0.6862 -0.0054 -0.0007 -0.0072 117 PHE A CA +1104 C CA B PHE A 117 ? 0.7057 0.6818 0.6884 -0.0054 -0.0007 -0.0072 117 PHE A CA +1105 C C A PHE A 117 ? 0.6811 0.6608 0.6675 -0.0039 -0.0031 -0.0075 117 PHE A C +1106 C C B PHE A 117 ? 0.6822 0.6618 0.6685 -0.0039 -0.0031 -0.0075 117 PHE A C +1107 O O A PHE A 117 ? 0.6854 0.6657 0.6727 -0.0009 -0.0041 -0.0082 117 PHE A O +1108 O O B PHE A 117 ? 0.6883 0.6683 0.6754 -0.0009 -0.0042 -0.0081 117 PHE A O +1109 C CB A PHE A 117 ? 0.6266 0.6073 0.6128 -0.0065 0.0023 -0.0085 117 PHE A CB +1110 C CB B PHE A 117 ? 0.6254 0.6060 0.6115 -0.0065 0.0022 -0.0085 117 PHE A CB +1111 C CG A PHE A 117 ? 0.6761 0.6534 0.6585 -0.0075 0.0047 -0.0084 117 PHE A CG +1112 C CG B PHE A 117 ? 0.6766 0.6540 0.6591 -0.0075 0.0048 -0.0084 117 PHE A CG +1113 C CD1 A PHE A 117 ? 0.7325 0.7040 0.7097 -0.0064 0.0043 -0.0077 117 PHE A CD1 +1114 C CD1 B PHE A 117 ? 0.7342 0.7056 0.7113 -0.0065 0.0043 -0.0076 117 PHE A CD1 +1115 C CD2 A PHE A 117 ? 0.6073 0.5869 0.5911 -0.0096 0.0075 -0.0089 117 PHE A CD2 +1116 C CD2 B PHE A 117 ? 0.6045 0.5844 0.5886 -0.0094 0.0076 -0.0090 117 PHE A CD2 +1117 C CE1 A PHE A 117 ? 0.7103 0.6785 0.6838 -0.0073 0.0065 -0.0076 117 PHE A CE1 +1118 C CE1 B PHE A 117 ? 0.7108 0.6790 0.6843 -0.0073 0.0065 -0.0076 117 PHE A CE1 +1119 C CE2 A PHE A 117 ? 0.6732 0.6493 0.6530 -0.0104 0.0098 -0.0087 117 PHE A CE2 +1120 C CE2 B PHE A 117 ? 0.6744 0.6509 0.6546 -0.0101 0.0099 -0.0089 117 PHE A CE2 +1121 C CZ A PHE A 117 ? 0.6948 0.6653 0.6695 -0.0092 0.0092 -0.0081 117 PHE A CZ +1122 C CZ B PHE A 117 ? 0.6970 0.6677 0.6719 -0.0090 0.0092 -0.0082 117 PHE A CZ +1123 N N . HIS A 118 ? 0.5804 0.5621 0.5685 -0.0058 -0.0040 -0.0071 118 HIS A N +1124 C CA . HIS A 118 ? 0.5478 0.5325 0.5390 -0.0044 -0.0065 -0.0074 118 HIS A CA +1125 C C . HIS A 118 ? 0.6319 0.6116 0.6191 -0.0028 -0.0089 -0.0061 118 HIS A C +1126 O O . HIS A 118 ? 0.5831 0.5638 0.5715 -0.0002 -0.0108 -0.0065 118 HIS A O +1127 C CB . HIS A 118 ? 0.5179 0.5055 0.5115 -0.0069 -0.0068 -0.0073 118 HIS A CB +1128 C CG . HIS A 118 ? 0.6214 0.6152 0.6204 -0.0081 -0.0050 -0.0089 118 HIS A CG +1129 N ND1 . HIS A 118 ? 0.5795 0.5736 0.5784 -0.0106 -0.0022 -0.0090 118 HIS A ND1 +1130 C CD2 . HIS A 118 ? 0.6511 0.6512 0.6558 -0.0070 -0.0056 -0.0104 118 HIS A CD2 +1131 C CE1 . HIS A 118 ? 0.6287 0.6289 0.6331 -0.0113 -0.0010 -0.0105 118 HIS A CE1 +1132 N NE2 . HIS A 118 ? 0.6550 0.6591 0.6631 -0.0091 -0.0030 -0.0115 118 HIS A NE2 +1133 N N . PHE A 119 ? 0.5616 0.5359 0.5439 -0.0043 -0.0089 -0.0047 119 PHE A N +1134 C CA . PHE A 119 ? 0.5931 0.5625 0.5715 -0.0031 -0.0110 -0.0034 119 PHE A CA +1135 C C . PHE A 119 ? 0.6022 0.5691 0.5788 -0.0002 -0.0112 -0.0038 119 PHE A C +1136 O O . PHE A 119 ? 0.5864 0.5518 0.5622 0.0019 -0.0132 -0.0035 119 PHE A O +1137 C CB . PHE A 119 ? 0.5635 0.5282 0.5376 -0.0055 -0.0107 -0.0020 119 PHE A CB +1138 C CG . PHE A 119 ? 0.5894 0.5487 0.5592 -0.0045 -0.0122 -0.0008 119 PHE A CG +1139 C CD1 . PHE A 119 ? 0.5925 0.5511 0.5619 -0.0038 -0.0144 0.0000 119 PHE A CD1 +1140 C CD2 . PHE A 119 ? 0.5787 0.5337 0.5449 -0.0042 -0.0114 -0.0005 119 PHE A CD2 +1141 C CE1 . PHE A 119 ? 0.7016 0.6552 0.6671 -0.0030 -0.0156 0.0010 119 PHE A CE1 +1142 C CE2 . PHE A 119 ? 0.6422 0.5923 0.6046 -0.0035 -0.0128 0.0004 119 PHE A CE2 +1143 C CZ . PHE A 119 ? 0.5713 0.5206 0.5333 -0.0029 -0.0148 0.0012 119 PHE A CZ +1144 N N A LEU A 120 ? 0.6139 0.5798 0.5895 -0.0001 -0.0091 -0.0044 120 LEU A N +1145 N N B LEU A 120 ? 0.6145 0.5805 0.5902 -0.0001 -0.0091 -0.0044 120 LEU A N +1146 C CA A LEU A 120 ? 0.6306 0.5939 0.6043 0.0026 -0.0092 -0.0048 120 LEU A CA +1147 C CA B LEU A 120 ? 0.6315 0.5948 0.6053 0.0026 -0.0092 -0.0048 120 LEU A CA +1148 C C A LEU A 120 ? 0.6047 0.5721 0.5823 0.0056 -0.0101 -0.0061 120 LEU A C +1149 C C B LEU A 120 ? 0.6040 0.5714 0.5816 0.0056 -0.0100 -0.0061 120 LEU A C +1150 O O A LEU A 120 ? 0.6684 0.6332 0.6443 0.0083 -0.0115 -0.0060 120 LEU A O +1151 O O B LEU A 120 ? 0.6696 0.6344 0.6455 0.0083 -0.0114 -0.0061 120 LEU A O +1152 C CB A LEU A 120 ? 0.5321 0.4938 0.5041 0.0021 -0.0068 -0.0053 120 LEU A CB +1153 C CB B LEU A 120 ? 0.5287 0.4904 0.5007 0.0022 -0.0068 -0.0053 120 LEU A CB +1154 C CG A LEU A 120 ? 0.6717 0.6282 0.6389 -0.0002 -0.0063 -0.0041 120 LEU A CG +1155 C CG B LEU A 120 ? 0.6732 0.6296 0.6403 -0.0001 -0.0063 -0.0041 120 LEU A CG +1156 C CD1 A LEU A 120 ? 0.6530 0.6083 0.6184 -0.0008 -0.0038 -0.0047 120 LEU A CD1 +1157 C CD1 B LEU A 120 ? 0.6537 0.6090 0.6192 -0.0008 -0.0038 -0.0047 120 LEU A CD1 +1158 C CD2 A LEU A 120 ? 0.6075 0.5582 0.5704 0.0007 -0.0082 -0.0030 120 LEU A CD2 +1159 C CD2 B LEU A 120 ? 0.6071 0.5578 0.5700 0.0008 -0.0082 -0.0031 120 LEU A CD2 +1160 N N . LEU A 121 ? 0.6608 0.6346 0.6437 0.0053 -0.0092 -0.0073 121 LEU A N +1161 C CA . LEU A 121 ? 0.5909 0.5695 0.5781 0.0081 -0.0103 -0.0086 121 LEU A CA +1162 C C . LEU A 121 ? 0.5853 0.5629 0.5719 0.0092 -0.0133 -0.0078 121 LEU A C +1163 O O . LEU A 121 ? 0.6582 0.6346 0.6442 0.0123 -0.0150 -0.0080 121 LEU A O +1164 C CB . LEU A 121 ? 0.6361 0.6220 0.6293 0.0068 -0.0089 -0.0100 121 LEU A CB +1165 C CG . LEU A 121 ? 1.1104 1.1001 1.1068 0.0082 -0.0067 -0.0117 121 LEU A CG +1166 C CD1 . LEU A 121 ? 0.7004 0.6963 0.7018 0.0059 -0.0047 -0.0128 121 LEU A CD1 +1167 C CD2 . LEU A 121 ? 0.9566 0.9486 0.9553 0.0123 -0.0084 -0.0128 121 LEU A CD2 +1168 N N . GLY A 122 ? 0.6095 0.5876 0.5963 0.0067 -0.0141 -0.0070 122 GLY A N +1169 C CA . GLY A 122 ? 0.5666 0.5440 0.5528 0.0076 -0.0169 -0.0062 122 GLY A CA +1170 C C . GLY A 122 ? 0.5793 0.5500 0.5602 0.0092 -0.0183 -0.0050 122 GLY A C +1171 O O . GLY A 122 ? 0.6378 0.6078 0.6182 0.0116 -0.0204 -0.0048 122 GLY A O +1172 N N . ALA A 123 ? 0.5586 0.5242 0.5353 0.0079 -0.0171 -0.0040 123 ALA A N +1173 C CA . ALA A 123 ? 0.6323 0.5914 0.6038 0.0089 -0.0183 -0.0028 123 ALA A CA +1174 C C . ALA A 123 ? 0.6325 0.5896 0.6029 0.0123 -0.0185 -0.0035 123 ALA A C +1175 O O . ALA A 123 ? 0.6487 0.6017 0.6160 0.0141 -0.0201 -0.0028 123 ALA A O +1176 C CB . ALA A 123 ? 0.6140 0.5684 0.5815 0.0061 -0.0171 -0.0016 123 ALA A CB +1177 N N . SER A 124 ? 0.6125 0.5727 0.5854 0.0132 -0.0168 -0.0049 124 SER A N +1178 C CA . SER A 124 ? 0.5749 0.5341 0.5474 0.0168 -0.0170 -0.0058 124 SER A CA +1179 C C . SER A 124 ? 0.6755 0.6379 0.6507 0.0197 -0.0191 -0.0064 124 SER A C +1180 O O . SER A 124 ? 0.6780 0.6371 0.6509 0.0227 -0.0205 -0.0063 124 SER A O +1181 C CB . SER A 124 ? 0.7256 0.6880 0.7007 0.0171 -0.0145 -0.0074 124 SER A CB +1182 O OG . SER A 124 ? 0.6793 0.6384 0.6513 0.0147 -0.0126 -0.0069 124 SER A OG +1183 N N . CYS A 125 ? 0.5754 0.5442 0.5556 0.0188 -0.0195 -0.0071 125 CYS A N +1184 C CA . CYS A 125 ? 0.6401 0.6123 0.6231 0.0213 -0.0218 -0.0077 125 CYS A CA +1185 C C . CYS A 125 ? 0.6171 0.5846 0.5960 0.0215 -0.0242 -0.0061 125 CYS A C +1186 O O . CYS A 125 ? 0.6636 0.6309 0.6423 0.0245 -0.0263 -0.0062 125 CYS A O +1187 C CB . CYS A 125 ? 0.5467 0.5269 0.5360 0.0199 -0.0215 -0.0089 125 CYS A CB +1188 S SG . CYS A 125 ? 0.6600 0.6465 0.6548 0.0207 -0.0189 -0.0112 125 CYS A SG +1189 N N A TYR A 126 ? 0.5810 0.5448 0.5567 0.0184 -0.0239 -0.0045 126 TYR A N +1190 N N B TYR A 126 ? 0.5797 0.5436 0.5555 0.0184 -0.0238 -0.0046 126 TYR A N +1191 C CA A TYR A 126 ? 0.6641 0.6229 0.6356 0.0185 -0.0258 -0.0029 126 TYR A CA +1192 C CA B TYR A 126 ? 0.6651 0.6239 0.6366 0.0184 -0.0257 -0.0030 126 TYR A CA +1193 C C A TYR A 126 ? 0.6396 0.5922 0.6063 0.0212 -0.0265 -0.0024 126 TYR A C +1194 C C B TYR A 126 ? 0.6390 0.5917 0.6059 0.0212 -0.0264 -0.0024 126 TYR A C +1195 O O A TYR A 126 ? 0.6834 0.6331 0.6477 0.0231 -0.0285 -0.0017 126 TYR A O +1196 O O B TYR A 126 ? 0.6842 0.6343 0.6488 0.0231 -0.0285 -0.0018 126 TYR A O +1197 C CB A TYR A 126 ? 0.6282 0.5842 0.5972 0.0147 -0.0250 -0.0015 126 TYR A CB +1198 C CB B TYR A 126 ? 0.6288 0.5847 0.5977 0.0147 -0.0248 -0.0015 126 TYR A CB +1199 C CG A TYR A 126 ? 0.6387 0.5904 0.6038 0.0141 -0.0266 0.0002 126 TYR A CG +1200 C CG B TYR A 126 ? 0.6390 0.5908 0.6042 0.0142 -0.0266 0.0001 126 TYR A CG +1201 C CD1 A TYR A 126 ? 0.5990 0.5438 0.5588 0.0146 -0.0269 0.0014 126 TYR A CD1 +1202 C CD1 B TYR A 126 ? 0.5973 0.5421 0.5571 0.0147 -0.0269 0.0014 126 TYR A CD1 +1203 C CD2 A TYR A 126 ? 0.6103 0.5647 0.5770 0.0130 -0.0278 0.0004 126 TYR A CD2 +1204 C CD2 B TYR A 126 ? 0.6103 0.5649 0.5772 0.0132 -0.0278 0.0003 126 TYR A CD2 +1205 C CE1 A TYR A 126 ? 0.6054 0.5462 0.5616 0.0139 -0.0282 0.0029 126 TYR A CE1 +1206 C CE1 B TYR A 126 ? 0.6043 0.5453 0.5607 0.0141 -0.0282 0.0029 126 TYR A CE1 +1207 C CE2 A TYR A 126 ? 0.5975 0.5480 0.5606 0.0125 -0.0292 0.0019 126 TYR A CE2 +1208 C CE2 B TYR A 126 ? 0.5976 0.5483 0.5609 0.0127 -0.0292 0.0018 126 TYR A CE2 +1209 C CZ A TYR A 126 ? 0.6428 0.5865 0.6006 0.0130 -0.0293 0.0032 126 TYR A CZ +1210 C CZ B TYR A 126 ? 0.6433 0.5874 0.6015 0.0132 -0.0293 0.0031 126 TYR A CZ +1211 O OH A TYR A 126 ? 0.6555 0.5953 0.6097 0.0124 -0.0304 0.0047 126 TYR A OH +1212 O OH B TYR A 126 ? 0.6581 0.5984 0.6127 0.0127 -0.0305 0.0045 126 TYR A OH +1213 N N . MET A 127 ? 0.7049 0.6551 0.6702 0.0214 -0.0247 -0.0028 127 MET A N +1214 C CA . MET A 127 ? 0.6942 0.6384 0.6551 0.0240 -0.0252 -0.0025 127 MET A CA +1215 C C . MET A 127 ? 0.6294 0.5759 0.5923 0.0283 -0.0266 -0.0037 127 MET A C +1216 O O . MET A 127 ? 0.6121 0.5540 0.5713 0.0308 -0.0282 -0.0030 127 MET A O +1217 C CB . MET A 127 ? 0.5754 0.5169 0.5345 0.0230 -0.0230 -0.0028 127 MET A CB +1218 C CG . MET A 127 ? 0.6310 0.5656 0.5851 0.0254 -0.0234 -0.0025 127 MET A CG +1219 S SD . MET A 127 ? 0.6659 0.5964 0.6171 0.0241 -0.0209 -0.0028 127 MET A SD +1220 C CE . MET A 127 ? 0.6199 0.5579 0.5768 0.0253 -0.0191 -0.0049 127 MET A CE +1221 N N . GLY A 128 ? 0.5499 0.5033 0.5183 0.0292 -0.0258 -0.0054 128 GLY A N +1222 C CA . GLY A 128 ? 0.5956 0.5522 0.5665 0.0333 -0.0273 -0.0067 128 GLY A CA +1223 C C . GLY A 128 ? 0.5966 0.5540 0.5677 0.0345 -0.0301 -0.0061 128 GLY A C +1224 O O . GLY A 128 ? 0.7253 0.6805 0.6945 0.0381 -0.0320 -0.0062 128 GLY A O +1225 N N . ARG A 129 ? 0.6307 0.5906 0.6034 0.0315 -0.0304 -0.0056 129 ARG A N +1226 C CA . ARG A 129 ? 0.6528 0.6136 0.6255 0.0323 -0.0329 -0.0051 129 ARG A CA +1227 C C . ARG A 129 ? 0.6707 0.6233 0.6366 0.0335 -0.0344 -0.0033 129 ARG A C +1228 O O . ARG A 129 ? 0.6754 0.6274 0.6402 0.0362 -0.0368 -0.0032 129 ARG A O +1229 C CB . ARG A 129 ? 0.6476 0.6120 0.6228 0.0284 -0.0326 -0.0047 129 ARG A CB +1230 C CG . ARG A 129 ? 0.5842 0.5497 0.5594 0.0288 -0.0352 -0.0043 129 ARG A CG +1231 C CD . ARG A 129 ? 0.5970 0.5680 0.5764 0.0255 -0.0347 -0.0047 129 ARG A CD +1232 N NE . ARG A 129 ? 0.5782 0.5488 0.5565 0.0250 -0.0368 -0.0039 129 ARG A NE +1233 C CZ . ARG A 129 ? 0.6771 0.6426 0.6508 0.0229 -0.0368 -0.0021 129 ARG A CZ +1234 N NH1 . ARG A 129 ? 0.6251 0.5854 0.5951 0.0211 -0.0350 -0.0009 129 ARG A NH1 +1235 N NH2 . ARG A 129 ? 0.5953 0.5610 0.5683 0.0225 -0.0386 -0.0016 129 ARG A NH2 +1236 N N A GLN A 130 ? 0.6631 0.6093 0.6242 0.0316 -0.0330 -0.0020 130 GLN A N +1237 N N B GLN A 130 ? 0.6633 0.6096 0.6245 0.0316 -0.0330 -0.0020 130 GLN A N +1238 C CA A GLN A 130 ? 0.6382 0.5763 0.5928 0.0326 -0.0342 -0.0004 130 GLN A CA +1239 C CA B GLN A 130 ? 0.6375 0.5757 0.5922 0.0326 -0.0341 -0.0004 130 GLN A CA +1240 C C A GLN A 130 ? 0.7258 0.6611 0.6785 0.0370 -0.0351 -0.0010 130 GLN A C +1241 C C B GLN A 130 ? 0.7267 0.6621 0.6794 0.0371 -0.0352 -0.0010 130 GLN A C +1242 O O A GLN A 130 ? 0.7196 0.6507 0.6685 0.0393 -0.0370 -0.0001 130 GLN A O +1243 O O B GLN A 130 ? 0.7214 0.6529 0.6706 0.0394 -0.0371 -0.0002 130 GLN A O +1244 C CB A GLN A 130 ? 0.6746 0.6070 0.6251 0.0294 -0.0324 0.0009 130 GLN A CB +1245 C CB B GLN A 130 ? 0.6752 0.6078 0.6259 0.0295 -0.0323 0.0009 130 GLN A CB +1246 C CG A GLN A 130 ? 0.6534 0.5867 0.6043 0.0253 -0.0318 0.0020 130 GLN A CG +1247 C CG B GLN A 130 ? 0.6539 0.5868 0.6044 0.0255 -0.0319 0.0020 130 GLN A CG +1248 C CD A GLN A 130 ? 0.6841 0.6118 0.6310 0.0225 -0.0303 0.0031 130 GLN A CD +1249 C CD B GLN A 130 ? 0.6859 0.6137 0.6328 0.0226 -0.0303 0.0031 130 GLN A CD +1250 O OE1 A GLN A 130 ? 0.6744 0.6002 0.6204 0.0227 -0.0289 0.0026 130 GLN A OE1 +1251 O OE1 B GLN A 130 ? 0.6761 0.6021 0.6223 0.0227 -0.0289 0.0026 130 GLN A OE1 +1252 N NE2 A GLN A 130 ? 0.6634 0.5886 0.6079 0.0200 -0.0305 0.0046 130 GLN A NE2 +1253 N NE2 B GLN A 130 ? 0.6644 0.5899 0.6092 0.0199 -0.0304 0.0045 130 GLN A NE2 +1254 N N . TRP A 131 ? 0.6917 0.6288 0.6464 0.0384 -0.0338 -0.0024 131 TRP A N +1255 C CA . TRP A 131 ? 0.6702 0.6055 0.6237 0.0430 -0.0348 -0.0031 131 TRP A CA +1256 C C . TRP A 131 ? 0.7080 0.6484 0.6648 0.0462 -0.0373 -0.0040 131 TRP A C +1257 O O . TRP A 131 ? 0.6649 0.6013 0.6182 0.0495 -0.0393 -0.0036 131 TRP A O +1258 C CB . TRP A 131 ? 0.6282 0.5655 0.5840 0.0442 -0.0329 -0.0047 131 TRP A CB +1259 C CG . TRP A 131 ? 0.6623 0.6002 0.6185 0.0492 -0.0345 -0.0058 131 TRP A CG +1260 C CD1 . TRP A 131 ? 0.6159 0.5466 0.5666 0.0524 -0.0356 -0.0051 131 TRP A CD1 +1261 C CD2 . TRP A 131 ? 0.6821 0.6282 0.6445 0.0519 -0.0354 -0.0076 131 TRP A CD2 +1262 N NE1 . TRP A 131 ? 0.7368 0.6706 0.6896 0.0570 -0.0372 -0.0065 131 TRP A NE1 +1263 C CE2 . TRP A 131 ? 0.7320 0.6754 0.6922 0.0568 -0.0372 -0.0080 131 TRP A CE2 +1264 C CE3 . TRP A 131 ? 0.6210 0.5764 0.5907 0.0505 -0.0349 -0.0090 131 TRP A CE3 +1265 C CZ2 . TRP A 131 ? 0.6603 0.6105 0.6257 0.0605 -0.0386 -0.0098 131 TRP A CZ2 +1266 C CZ3 . TRP A 131 ? 0.8089 0.7710 0.7838 0.0539 -0.0362 -0.0108 131 TRP A CZ3 +1267 C CH2 . TRP A 131 ? 0.7560 0.7157 0.7288 0.0590 -0.0381 -0.0112 131 TRP A CH2 +1268 N N . GLU A 132 ? 0.6065 0.5553 0.5698 0.0450 -0.0372 -0.0052 132 GLU A N +1269 C CA . GLU A 132 ? 0.7340 0.6890 0.7016 0.0481 -0.0394 -0.0066 132 GLU A CA +1270 C C . GLU A 132 ? 0.8126 0.7645 0.7767 0.0492 -0.0422 -0.0054 132 GLU A C +1271 O O . GLU A 132 ? 0.7573 0.7090 0.7208 0.0534 -0.0445 -0.0058 132 GLU A O +1272 C CB . GLU A 132 ? 0.6076 0.5720 0.5828 0.0458 -0.0385 -0.0080 132 GLU A CB +1273 C CG . GLU A 132 ? 0.6356 0.6074 0.6163 0.0490 -0.0404 -0.0099 132 GLU A CG +1274 C CD . GLU A 132 ? 0.6839 0.6647 0.6720 0.0463 -0.0396 -0.0113 132 GLU A CD +1275 O OE1 . GLU A 132 ? 0.7335 0.7154 0.7230 0.0428 -0.0368 -0.0113 132 GLU A OE1 +1276 O OE2 . GLU A 132 ? 0.7465 0.7332 0.7388 0.0477 -0.0416 -0.0124 132 GLU A OE2 +1277 N N . LEU A 133 ? 0.7294 0.6789 0.6913 0.0457 -0.0421 -0.0038 133 LEU A N +1278 C CA . LEU A 133 ? 0.7159 0.6623 0.6742 0.0465 -0.0445 -0.0026 133 LEU A CA +1279 C C . LEU A 133 ? 0.6972 0.6346 0.6482 0.0493 -0.0454 -0.0013 133 LEU A C +1280 O O . LEU A 133 ? 0.7206 0.6561 0.6691 0.0523 -0.0479 -0.0009 133 LEU A O +1281 C CB . LEU A 133 ? 0.6484 0.5942 0.6058 0.0421 -0.0440 -0.0013 133 LEU A CB +1282 C CG . LEU A 133 ? 0.6369 0.5800 0.5908 0.0427 -0.0464 -0.0001 133 LEU A CG +1283 C CD1 . LEU A 133 ? 0.5746 0.5241 0.5326 0.0456 -0.0490 -0.0016 133 LEU A CD1 +1284 C CD2 . LEU A 133 ? 0.5730 0.5157 0.5262 0.0383 -0.0454 0.0011 133 LEU A CD2 +1285 N N A SER A 134 ? 0.6184 0.5498 0.5656 0.0482 -0.0435 -0.0005 134 SER A N +1286 N N B SER A 134 ? 0.6169 0.5484 0.5642 0.0483 -0.0435 -0.0005 134 SER A N +1287 C CA A SER A 134 ? 0.7040 0.6265 0.6441 0.0508 -0.0442 0.0007 134 SER A CA +1288 C CA B SER A 134 ? 0.7049 0.6275 0.6451 0.0508 -0.0442 0.0007 134 SER A CA +1289 C C A SER A 134 ? 0.7187 0.6422 0.6594 0.0562 -0.0461 -0.0005 134 SER A C +1290 C C B SER A 134 ? 0.7204 0.6438 0.6611 0.0562 -0.0460 -0.0006 134 SER A C +1291 O O A SER A 134 ? 0.6576 0.5755 0.5932 0.0591 -0.0480 0.0003 134 SER A O +1292 O O B SER A 134 ? 0.6560 0.5736 0.5914 0.0591 -0.0479 0.0003 134 SER A O +1293 C CB A SER A 134 ? 0.6814 0.5980 0.6180 0.0488 -0.0418 0.0014 134 SER A CB +1294 C CB B SER A 134 ? 0.6815 0.5983 0.6182 0.0487 -0.0418 0.0014 134 SER A CB +1295 O OG A SER A 134 ? 0.6573 0.5768 0.5970 0.0503 -0.0405 -0.0003 134 SER A OG +1296 O OG B SER A 134 ? 0.6575 0.5768 0.5971 0.0504 -0.0406 -0.0003 134 SER A OG +1297 N N . TYR A 135 ? 0.6343 0.5649 0.5811 0.0575 -0.0455 -0.0026 135 TYR A N +1298 C CA . TYR A 135 ? 0.6875 0.6204 0.6359 0.0627 -0.0473 -0.0041 135 TYR A CA +1299 C C . TYR A 135 ? 0.7134 0.6498 0.6632 0.0650 -0.0504 -0.0043 135 TYR A C +1300 O O . TYR A 135 ? 0.7521 0.6853 0.6987 0.0694 -0.0527 -0.0043 135 TYR A O +1301 C CB . TYR A 135 ? 0.6201 0.5610 0.5756 0.0631 -0.0457 -0.0063 135 TYR A CB +1302 C CG . TYR A 135 ? 0.7206 0.6632 0.6775 0.0686 -0.0470 -0.0079 135 TYR A CG +1303 C CD1 . TYR A 135 ? 0.7194 0.6540 0.6704 0.0717 -0.0471 -0.0073 135 TYR A CD1 +1304 C CD2 . TYR A 135 ? 0.6797 0.6319 0.6441 0.0706 -0.0480 -0.0100 135 TYR A CD2 +1305 C CE1 . TYR A 135 ? 0.7215 0.6576 0.6737 0.0769 -0.0483 -0.0088 135 TYR A CE1 +1306 C CE2 . TYR A 135 ? 0.7372 0.6915 0.7032 0.0758 -0.0492 -0.0116 135 TYR A CE2 +1307 C CZ . TYR A 135 ? 0.7723 0.7184 0.7321 0.0791 -0.0494 -0.0109 135 TYR A CZ +1308 O OH . TYR A 135 ? 0.8362 0.7841 0.7974 0.0844 -0.0506 -0.0125 135 TYR A OH +1309 N N . ARG A 136 ? 0.6900 0.6326 0.6442 0.0621 -0.0507 -0.0046 136 ARG A N +1310 C CA . ARG A 136 ? 0.7191 0.6655 0.6750 0.0640 -0.0537 -0.0050 136 ARG A CA +1311 C C . ARG A 136 ? 0.7105 0.6487 0.6587 0.0648 -0.0555 -0.0029 136 ARG A C +1312 O O . ARG A 136 ? 0.7990 0.7379 0.7464 0.0681 -0.0585 -0.0032 136 ARG A O +1313 C CB . ARG A 136 ? 0.7037 0.6581 0.6658 0.0604 -0.0535 -0.0058 136 ARG A CB +1314 C CG . ARG A 136 ? 0.6971 0.6591 0.6664 0.0582 -0.0510 -0.0075 136 ARG A CG +1315 C CD . ARG A 136 ? 0.6781 0.6459 0.6524 0.0621 -0.0515 -0.0097 136 ARG A CD +1316 N NE . ARG A 136 ? 0.6693 0.6453 0.6511 0.0597 -0.0493 -0.0114 136 ARG A NE +1317 C CZ . ARG A 136 ? 0.7676 0.7477 0.7534 0.0616 -0.0480 -0.0131 136 ARG A CZ +1318 N NH1 . ARG A 136 ? 0.6938 0.6710 0.6774 0.0662 -0.0489 -0.0135 136 ARG A NH1 +1319 N NH2 . ARG A 136 ? 0.6455 0.6323 0.6374 0.0588 -0.0457 -0.0144 136 ARG A NH2 +1320 N N A LEU A 137 ? 0.7110 0.6416 0.6535 0.0619 -0.0539 -0.0009 137 LEU A N +1321 N N B LEU A 137 ? 0.7126 0.6431 0.6550 0.0620 -0.0539 -0.0009 137 LEU A N +1322 C CA A LEU A 137 ? 0.6839 0.6066 0.6190 0.0621 -0.0552 0.0011 137 LEU A CA +1323 C CA B LEU A 137 ? 0.6829 0.6055 0.6179 0.0623 -0.0552 0.0011 137 LEU A CA +1324 C C A LEU A 137 ? 0.7202 0.6338 0.6483 0.0653 -0.0555 0.0021 137 LEU A C +1325 C C B LEU A 137 ? 0.7220 0.6355 0.6500 0.0656 -0.0555 0.0021 137 LEU A C +1326 O O A LEU A 137 ? 0.7573 0.6635 0.6786 0.0657 -0.0564 0.0039 137 LEU A O +1327 O O B LEU A 137 ? 0.7619 0.6680 0.6831 0.0660 -0.0565 0.0039 137 LEU A O +1328 C CB A LEU A 137 ? 0.6038 0.5237 0.5368 0.0569 -0.0532 0.0028 137 LEU A CB +1329 C CB B LEU A 137 ? 0.6016 0.5211 0.5343 0.0571 -0.0533 0.0028 137 LEU A CB +1330 C CG A LEU A 137 ? 0.7017 0.6294 0.6407 0.0534 -0.0529 0.0021 137 LEU A CG +1331 C CG B LEU A 137 ? 0.7020 0.6293 0.6407 0.0535 -0.0528 0.0021 137 LEU A CG +1332 C CD1 A LEU A 137 ? 0.6598 0.5834 0.5954 0.0490 -0.0513 0.0040 137 LEU A CD1 +1333 C CD1 B LEU A 137 ? 0.6597 0.5827 0.5948 0.0491 -0.0514 0.0041 137 LEU A CD1 +1334 C CD2 A LEU A 137 ? 0.6690 0.6018 0.6104 0.0557 -0.0559 0.0012 137 LEU A CD2 +1335 C CD2 B LEU A 137 ? 0.6672 0.6004 0.6092 0.0557 -0.0557 0.0010 137 LEU A CD2 +1336 N N A GLY A 138 ? 0.7035 0.6172 0.6328 0.0676 -0.0547 0.0010 138 GLY A N +1337 N N B GLY A 138 ? 0.7027 0.6163 0.6319 0.0678 -0.0547 0.0010 138 GLY A N +1338 C CA A GLY A 138 ? 0.7291 0.6337 0.6514 0.0707 -0.0549 0.0019 138 GLY A CA +1339 C CA B GLY A 138 ? 0.7292 0.6337 0.6515 0.0708 -0.0549 0.0019 138 GLY A CA +1340 C C A GLY A 138 ? 0.7433 0.6395 0.6599 0.0674 -0.0525 0.0037 138 GLY A C +1341 C C B GLY A 138 ? 0.7442 0.6404 0.6610 0.0673 -0.0525 0.0036 138 GLY A C +1342 O O A GLY A 138 ? 0.7708 0.6580 0.6803 0.0690 -0.0529 0.0050 138 GLY A O +1343 O O B GLY A 138 ? 0.7729 0.6600 0.6823 0.0688 -0.0528 0.0051 138 GLY A O +1344 N N A MET A 139 ? 0.7528 0.6518 0.6726 0.0627 -0.0501 0.0036 139 MET A N +1345 N N B MET A 139 ? 0.7534 0.6525 0.6734 0.0628 -0.0500 0.0035 139 MET A N +1346 C CA A MET A 139 ? 0.7106 0.6028 0.6260 0.0591 -0.0477 0.0051 139 MET A CA +1347 C CA B MET A 139 ? 0.7098 0.6024 0.6256 0.0591 -0.0477 0.0050 139 MET A CA +1348 C C A MET A 139 ? 0.6810 0.5714 0.5965 0.0597 -0.0459 0.0042 139 MET A C +1349 C C B MET A 139 ? 0.6811 0.5715 0.5967 0.0597 -0.0459 0.0042 139 MET A C +1350 O O A MET A 139 ? 0.7245 0.6205 0.6447 0.0619 -0.0459 0.0024 139 MET A O +1351 O O B MET A 139 ? 0.7258 0.6215 0.6459 0.0621 -0.0459 0.0023 139 MET A O +1352 C CB A MET A 139 ? 0.7829 0.6794 0.7019 0.0538 -0.0461 0.0055 139 MET A CB +1353 C CB B MET A 139 ? 0.7839 0.6809 0.7032 0.0538 -0.0461 0.0054 139 MET A CB +1354 C CG A MET A 139 ? 0.7817 0.6773 0.6986 0.0520 -0.0472 0.0069 139 MET A CG +1355 C CG B MET A 139 ? 0.7840 0.6798 0.7012 0.0520 -0.0471 0.0068 139 MET A CG +1356 S SD A MET A 139 ? 0.7100 0.6130 0.6329 0.0468 -0.0457 0.0066 139 MET A SD +1357 S SD B MET A 139 ? 0.7100 0.6134 0.6332 0.0468 -0.0456 0.0066 139 MET A SD +1358 C CE A MET A 139 ? 0.6422 0.5413 0.5636 0.0431 -0.0425 0.0072 139 MET A CE +1359 C CE B MET A 139 ? 0.6416 0.5411 0.5632 0.0429 -0.0425 0.0071 139 MET A CE +1360 N N A ARG A 140 ? 0.6528 0.5355 0.5631 0.0573 -0.0443 0.0055 140 ARG A N +1361 N N B ARG A 140 ? 0.6513 0.5343 0.5619 0.0571 -0.0442 0.0055 140 ARG A N +1362 C CA A ARG A 140 ? 0.6691 0.5505 0.5797 0.0567 -0.0423 0.0047 140 ARG A CA +1363 C CA B ARG A 140 ? 0.6685 0.5501 0.5793 0.0565 -0.0422 0.0047 140 ARG A CA +1364 C C A ARG A 140 ? 0.7028 0.5918 0.6198 0.0530 -0.0404 0.0038 140 ARG A C +1365 C C B ARG A 140 ? 0.7027 0.5918 0.6198 0.0528 -0.0403 0.0038 140 ARG A C +1366 O O A ARG A 140 ? 0.7250 0.6181 0.6447 0.0500 -0.0404 0.0042 140 ARG A O +1367 O O B ARG A 140 ? 0.7280 0.6209 0.6475 0.0497 -0.0402 0.0043 140 ARG A O +1368 C CB A ARG A 140 ? 0.6507 0.5217 0.5539 0.0552 -0.0412 0.0063 140 ARG A CB +1369 C CB B ARG A 140 ? 0.6493 0.5204 0.5527 0.0550 -0.0411 0.0063 140 ARG A CB +1370 C CG A ARG A 140 ? 0.6980 0.5615 0.5954 0.0598 -0.0424 0.0065 140 ARG A CG +1371 C CG B ARG A 140 ? 0.6974 0.5610 0.5948 0.0596 -0.0425 0.0066 140 ARG A CG +1372 C CD A ARG A 140 ? 0.7429 0.5962 0.6324 0.0586 -0.0425 0.0086 140 ARG A CD +1373 C CD B ARG A 140 ? 0.7439 0.5972 0.6334 0.0583 -0.0424 0.0087 140 ARG A CD +1374 N NE A ARG A 140 ? 0.7705 0.6198 0.6581 0.0541 -0.0401 0.0093 140 ARG A NE +1375 N NE B ARG A 140 ? 0.7713 0.6207 0.6589 0.0540 -0.0401 0.0093 140 ARG A NE +1376 C CZ A ARG A 140 ? 0.7949 0.6392 0.6798 0.0543 -0.0389 0.0088 140 ARG A CZ +1377 C CZ B ARG A 140 ? 0.7948 0.6396 0.6801 0.0542 -0.0388 0.0088 140 ARG A CZ +1378 N NH1 A ARG A 140 ? 0.7432 0.5857 0.6270 0.0587 -0.0395 0.0077 140 ARG A NH1 +1379 N NH1 B ARG A 140 ? 0.7431 0.5862 0.6273 0.0587 -0.0395 0.0077 140 ARG A NH1 +1380 N NH2 A ARG A 140 ? 0.7800 0.6210 0.6633 0.0500 -0.0370 0.0095 140 ARG A NH2 +1381 N NH2 B ARG A 140 ? 0.7800 0.6219 0.6640 0.0500 -0.0369 0.0093 140 ARG A NH2 +1382 N N A PRO A 141 ? 0.7501 0.6411 0.6696 0.0532 -0.0388 0.0024 141 PRO A N +1383 N N B PRO A 141 ? 0.7508 0.6422 0.6706 0.0531 -0.0388 0.0023 141 PRO A N +1384 C CA A PRO A 141 ? 0.7330 0.6328 0.6595 0.0510 -0.0374 0.0011 141 PRO A CA +1385 C CA B PRO A 141 ? 0.7337 0.6339 0.6605 0.0509 -0.0374 0.0010 141 PRO A CA +1386 C C A PRO A 141 ? 0.7568 0.6561 0.6835 0.0461 -0.0351 0.0015 141 PRO A C +1387 C C B PRO A 141 ? 0.7593 0.6591 0.6864 0.0461 -0.0350 0.0014 141 PRO A C +1388 O O A PRO A 141 ? 0.7005 0.6067 0.6326 0.0444 -0.0339 0.0005 141 PRO A O +1389 O O B PRO A 141 ? 0.7014 0.6081 0.6339 0.0444 -0.0338 0.0004 141 PRO A O +1390 C CB A PRO A 141 ? 0.6762 0.5786 0.6052 0.0546 -0.0371 -0.0009 141 PRO A CB +1391 C CB B PRO A 141 ? 0.6748 0.5781 0.6044 0.0547 -0.0372 -0.0009 141 PRO A CB +1392 C CG A PRO A 141 ? 0.7440 0.6368 0.6661 0.0565 -0.0369 -0.0002 141 PRO A CG +1393 C CG B PRO A 141 ? 0.7459 0.6400 0.6690 0.0566 -0.0370 -0.0004 141 PRO A CG +1394 C CD A PRO A 141 ? 0.6728 0.5587 0.5890 0.0564 -0.0385 0.0018 141 PRO A CD +1395 C CD B PRO A 141 ? 0.6733 0.5599 0.5901 0.0563 -0.0384 0.0016 141 PRO A CD +1396 N N A TRP A 142 ? 0.6768 0.5686 0.5980 0.0438 -0.0344 0.0030 142 TRP A N +1397 N N B TRP A 142 ? 0.6770 0.5692 0.5986 0.0439 -0.0343 0.0029 142 TRP A N +1398 C CA A TRP A 142 ? 0.7394 0.6303 0.6606 0.0402 -0.0322 0.0030 142 TRP A CA +1399 C CA B TRP A 142 ? 0.7405 0.6316 0.6619 0.0403 -0.0321 0.0029 142 TRP A CA +1400 C C A TRP A 142 ? 0.7103 0.6029 0.6325 0.0355 -0.0315 0.0041 142 TRP A C +1401 C C B TRP A 142 ? 0.7108 0.6037 0.6333 0.0356 -0.0314 0.0039 142 TRP A C +1402 O O A TRP A 142 ? 0.6736 0.5645 0.5950 0.0324 -0.0298 0.0042 142 TRP A O +1403 O O B TRP A 142 ? 0.6746 0.5661 0.5965 0.0326 -0.0297 0.0041 142 TRP A O +1404 C CB A TRP A 142 ? 0.7140 0.5956 0.6288 0.0405 -0.0316 0.0036 142 TRP A CB +1405 C CB B TRP A 142 ? 0.7136 0.5954 0.6286 0.0406 -0.0316 0.0035 142 TRP A CB +1406 C CG A TRP A 142 ? 0.7091 0.5893 0.6231 0.0448 -0.0318 0.0023 142 TRP A CG +1407 C CG B TRP A 142 ? 0.7097 0.5900 0.6238 0.0450 -0.0318 0.0022 142 TRP A CG +1408 C CD1 A TRP A 142 ? 0.7431 0.6287 0.6615 0.0465 -0.0309 0.0004 142 TRP A CD1 +1409 C CD1 B TRP A 142 ? 0.7437 0.6295 0.6622 0.0467 -0.0309 0.0003 142 TRP A CD1 +1410 C CD2 A TRP A 142 ? 0.6716 0.5441 0.5799 0.0481 -0.0329 0.0027 142 TRP A CD2 +1411 C CD2 B TRP A 142 ? 0.6695 0.5421 0.5780 0.0483 -0.0329 0.0027 142 TRP A CD2 +1412 N NE1 A TRP A 142 ? 0.6915 0.5734 0.6073 0.0507 -0.0314 -0.0004 142 TRP A NE1 +1413 N NE1 B TRP A 142 ? 0.6894 0.5715 0.6054 0.0509 -0.0314 -0.0004 142 TRP A NE1 +1414 C CE2 A TRP A 142 ? 0.7600 0.6337 0.6696 0.0518 -0.0327 0.0011 142 TRP A CE2 +1415 C CE2 B TRP A 142 ? 0.7614 0.6353 0.6712 0.0520 -0.0327 0.0010 142 TRP A CE2 +1416 C CE3 A TRP A 142 ? 0.7671 0.6316 0.6692 0.0483 -0.0339 0.0044 142 TRP A CE3 +1417 C CE3 B TRP A 142 ? 0.7689 0.6335 0.6712 0.0484 -0.0339 0.0043 142 TRP A CE3 +1418 C CZ2 A TRP A 142 ? 0.7614 0.6284 0.6661 0.0558 -0.0336 0.0010 142 TRP A CZ2 +1419 C CZ2 B TRP A 142 ? 0.7615 0.6288 0.6664 0.0560 -0.0336 0.0009 142 TRP A CZ2 +1420 C CZ3 A TRP A 142 ? 0.7716 0.6293 0.6688 0.0521 -0.0348 0.0044 142 TRP A CZ3 +1421 C CZ3 B TRP A 142 ? 0.7727 0.6305 0.6699 0.0522 -0.0347 0.0043 142 TRP A CZ3 +1422 C CH2 A TRP A 142 ? 0.7681 0.6271 0.6666 0.0559 -0.0347 0.0027 142 TRP A CH2 +1423 C CH2 B TRP A 142 ? 0.7678 0.6270 0.6664 0.0561 -0.0347 0.0026 142 TRP A CH2 +1424 N N A ILE A 143 ? 0.6320 0.5280 0.5561 0.0349 -0.0327 0.0047 143 ILE A N +1425 N N B ILE A 143 ? 0.6315 0.5276 0.5557 0.0351 -0.0327 0.0046 143 ILE A N +1426 C CA A ILE A 143 ? 0.6843 0.5826 0.6099 0.0306 -0.0319 0.0055 143 ILE A CA +1427 C CA B ILE A 143 ? 0.6848 0.5834 0.6106 0.0308 -0.0319 0.0054 143 ILE A CA +1428 C C A ILE A 143 ? 0.6850 0.5895 0.6156 0.0287 -0.0302 0.0042 143 ILE A C +1429 C C B ILE A 143 ? 0.6863 0.5910 0.6171 0.0288 -0.0302 0.0041 143 ILE A C +1430 O O A ILE A 143 ? 0.6932 0.5972 0.6236 0.0251 -0.0288 0.0047 143 ILE A O +1431 O O B ILE A 143 ? 0.6958 0.5999 0.6264 0.0253 -0.0288 0.0046 143 ILE A O +1432 C CB A ILE A 143 ? 0.6773 0.5786 0.6042 0.0307 -0.0335 0.0061 143 ILE A CB +1433 C CB B ILE A 143 ? 0.6790 0.5807 0.6062 0.0310 -0.0336 0.0060 143 ILE A CB +1434 C CG1 A ILE A 143 ? 0.6528 0.5469 0.5738 0.0314 -0.0346 0.0078 143 ILE A CG1 +1435 C CG1 B ILE A 143 ? 0.6537 0.5482 0.5749 0.0317 -0.0347 0.0077 143 ILE A CG1 +1436 C CG2 A ILE A 143 ? 0.5867 0.4924 0.5167 0.0267 -0.0326 0.0065 143 ILE A CG2 +1437 C CG2 B ILE A 143 ? 0.5852 0.4915 0.5157 0.0271 -0.0327 0.0063 143 ILE A CG2 +1438 C CD1 A ILE A 143 ? 0.6174 0.5138 0.5390 0.0320 -0.0364 0.0084 143 ILE A CD1 +1439 C CD1 B ILE A 143 ? 0.6161 0.5129 0.5380 0.0322 -0.0365 0.0083 143 ILE A CD1 +1440 N N A CYS A 144 ? 0.6503 0.5602 0.5852 0.0311 -0.0302 0.0026 144 CYS A N +1441 N N B CYS A 144 ? 0.6495 0.5599 0.5847 0.0312 -0.0302 0.0025 144 CYS A N +1442 C CA A CYS A 144 ? 0.6243 0.5400 0.5638 0.0293 -0.0284 0.0014 144 CYS A CA +1443 C CA B CYS A 144 ? 0.6236 0.5396 0.5633 0.0295 -0.0284 0.0013 144 CYS A CA +1444 C C A CYS A 144 ? 0.6400 0.5517 0.5770 0.0280 -0.0266 0.0012 144 CYS A C +1445 C C B CYS A 144 ? 0.6403 0.5522 0.5774 0.0282 -0.0265 0.0011 144 CYS A C +1446 O O A CYS A 144 ? 0.6518 0.5664 0.5910 0.0254 -0.0249 0.0008 144 CYS A O +1447 O O B CYS A 144 ? 0.6534 0.5681 0.5927 0.0256 -0.0249 0.0007 144 CYS A O +1448 C CB A CYS A 144 ? 0.6086 0.5310 0.5533 0.0323 -0.0287 -0.0004 144 CYS A CB +1449 C CB B CYS A 144 ? 0.6086 0.5312 0.5534 0.0325 -0.0286 -0.0005 144 CYS A CB +1450 S SG A CYS A 144 ? 0.7143 0.6334 0.6569 0.0371 -0.0289 -0.0016 144 CYS A SG +1451 S SG B CYS A 144 ? 0.7130 0.6321 0.6556 0.0372 -0.0288 -0.0016 144 CYS A SG +1452 N N A VAL A 145 ? 0.6579 0.5627 0.5900 0.0298 -0.0268 0.0015 145 VAL A N +1453 N N B VAL A 145 ? 0.6593 0.5643 0.5916 0.0299 -0.0268 0.0014 145 VAL A N +1454 C CA A VAL A 145 ? 0.5856 0.4860 0.5148 0.0285 -0.0252 0.0013 145 VAL A CA +1455 C CA B VAL A 145 ? 0.5836 0.4842 0.5130 0.0287 -0.0252 0.0012 145 VAL A CA +1456 C C A VAL A 145 ? 0.5985 0.4958 0.5253 0.0243 -0.0247 0.0027 145 VAL A C +1457 C C B VAL A 145 ? 0.5968 0.4944 0.5239 0.0245 -0.0246 0.0026 145 VAL A C +1458 O O A VAL A 145 ? 0.6731 0.5700 0.5997 0.0220 -0.0232 0.0024 145 VAL A O +1459 O O B VAL A 145 ? 0.6761 0.5732 0.6028 0.0222 -0.0231 0.0023 145 VAL A O +1460 C CB A VAL A 145 ? 0.6529 0.5463 0.5773 0.0316 -0.0258 0.0013 145 VAL A CB +1461 C CB B VAL A 145 ? 0.6544 0.5482 0.5790 0.0318 -0.0257 0.0011 145 VAL A CB +1462 C CG1 A VAL A 145 ? 0.6232 0.5109 0.5437 0.0299 -0.0244 0.0012 145 VAL A CG1 +1463 C CG1 B VAL A 145 ? 0.6229 0.5112 0.5438 0.0302 -0.0243 0.0010 145 VAL A CG1 +1464 C CG2 A VAL A 145 ? 0.6727 0.5697 0.5998 0.0359 -0.0261 -0.0003 145 VAL A CG2 +1465 C CG2 B VAL A 145 ? 0.6727 0.5702 0.6002 0.0361 -0.0261 -0.0004 145 VAL A CG2 +1466 N N A ALA A 146 ? 0.6849 0.5801 0.6099 0.0233 -0.0258 0.0042 146 ALA A N +1467 N N B ALA A 146 ? 0.6876 0.5832 0.6129 0.0234 -0.0258 0.0040 146 ALA A N +1468 C CA A ALA A 146 ? 0.6888 0.5823 0.6125 0.0193 -0.0253 0.0053 146 ALA A CA +1469 C CA B ALA A 146 ? 0.6901 0.5839 0.6140 0.0194 -0.0252 0.0052 146 ALA A CA +1470 C C A ALA A 146 ? 0.7255 0.6258 0.6539 0.0168 -0.0244 0.0049 146 ALA A C +1471 C C B ALA A 146 ? 0.7284 0.6289 0.6569 0.0168 -0.0243 0.0049 146 ALA A C +1472 O O A ALA A 146 ? 0.6968 0.5966 0.6248 0.0138 -0.0232 0.0051 146 ALA A O +1473 O O B ALA A 146 ? 0.6983 0.5983 0.6264 0.0139 -0.0232 0.0051 146 ALA A O +1474 C CB A ALA A 146 ? 0.5751 0.4654 0.4961 0.0189 -0.0266 0.0069 146 ALA A CB +1475 C CB B ALA A 146 ? 0.5730 0.4636 0.4942 0.0191 -0.0266 0.0068 146 ALA A CB +1476 N N A TYR A 147 ? 0.6675 0.5741 0.6003 0.0180 -0.0249 0.0043 147 TYR A N +1477 N N B TYR A 147 ? 0.6682 0.5750 0.6011 0.0180 -0.0249 0.0043 147 TYR A N +1478 C CA A TYR A 147 ? 0.6543 0.5672 0.5915 0.0157 -0.0240 0.0038 147 TYR A CA +1479 C CA B TYR A 147 ? 0.6551 0.5682 0.5924 0.0157 -0.0240 0.0038 147 TYR A CA +1480 C C A TYR A 147 ? 0.6206 0.5355 0.5595 0.0152 -0.0222 0.0026 147 TYR A C +1481 C C B TYR A 147 ? 0.6205 0.5356 0.5595 0.0153 -0.0222 0.0026 147 TYR A C +1482 O O A TYR A 147 ? 0.6522 0.5704 0.5933 0.0126 -0.0211 0.0025 147 TYR A O +1483 O O B TYR A 147 ? 0.6535 0.5718 0.5946 0.0127 -0.0211 0.0024 147 TYR A O +1484 C CB A TYR A 147 ? 0.5734 0.4922 0.5148 0.0172 -0.0251 0.0034 147 TYR A CB +1485 C CB B TYR A 147 ? 0.5714 0.4905 0.5129 0.0172 -0.0250 0.0033 147 TYR A CB +1486 C CG A TYR A 147 ? 0.6436 0.5689 0.5896 0.0149 -0.0242 0.0029 147 TYR A CG +1487 C CG B TYR A 147 ? 0.6447 0.5703 0.5909 0.0149 -0.0242 0.0028 147 TYR A CG +1488 C CD1 A TYR A 147 ? 0.6285 0.5541 0.5743 0.0117 -0.0241 0.0039 147 TYR A CD1 +1489 C CD1 B TYR A 147 ? 0.6292 0.5550 0.5751 0.0118 -0.0241 0.0039 147 TYR A CD1 +1490 C CD2 A TYR A 147 ? 0.6090 0.5400 0.5594 0.0159 -0.0234 0.0013 147 TYR A CD2 +1491 C CD2 B TYR A 147 ? 0.6086 0.5399 0.5592 0.0159 -0.0234 0.0013 147 TYR A CD2 +1492 C CE1 A TYR A 147 ? 0.6372 0.5682 0.5869 0.0097 -0.0232 0.0035 147 TYR A CE1 +1493 C CE1 B TYR A 147 ? 0.6377 0.5690 0.5876 0.0097 -0.0232 0.0034 147 TYR A CE1 +1494 C CE2 A TYR A 147 ? 0.5945 0.5311 0.5490 0.0137 -0.0224 0.0008 147 TYR A CE2 +1495 C CE2 B TYR A 147 ? 0.5931 0.5299 0.5477 0.0137 -0.0224 0.0008 147 TYR A CE2 +1496 C CZ A TYR A 147 ? 0.6643 0.6007 0.6182 0.0106 -0.0224 0.0020 147 TYR A CZ +1497 C CZ B TYR A 147 ? 0.6663 0.6028 0.6203 0.0106 -0.0224 0.0019 147 TYR A CZ +1498 O OH A TYR A 147 ? 0.6552 0.5965 0.6126 0.0085 -0.0215 0.0016 147 TYR A OH +1499 O OH B TYR A 147 ? 0.6561 0.5976 0.6137 0.0085 -0.0215 0.0015 147 TYR A OH +1500 N N . SER A 148 ? 0.5951 0.5080 0.5328 0.0177 -0.0218 0.0016 148 SER A N +1501 C CA . SER A 148 ? 0.6169 0.5312 0.5556 0.0174 -0.0200 0.0004 148 SER A CA +1502 C C . SER A 148 ? 0.6668 0.5777 0.6028 0.0141 -0.0189 0.0010 148 SER A C +1503 O O . SER A 148 ? 0.6115 0.5245 0.5488 0.0129 -0.0174 0.0003 148 SER A O +1504 C CB . SER A 148 ? 0.6425 0.5541 0.5796 0.0207 -0.0198 -0.0006 148 SER A CB +1505 O OG . SER A 148 ? 0.6375 0.5414 0.5691 0.0205 -0.0199 0.0000 148 SER A OG +1506 N N A ALA A 149 ? 0.5781 0.4838 0.5103 0.0126 -0.0197 0.0024 149 ALA A N +1507 N N B ALA A 149 ? 0.5764 0.4821 0.5086 0.0125 -0.0197 0.0024 149 ALA A N +1508 C CA A ALA A 149 ? 0.7006 0.6035 0.6305 0.0095 -0.0189 0.0028 149 ALA A CA +1509 C CA B ALA A 149 ? 0.7037 0.6067 0.6337 0.0094 -0.0189 0.0028 149 ALA A CA +1510 C C A ALA A 149 ? 0.6190 0.5266 0.5519 0.0066 -0.0183 0.0032 149 ALA A C +1511 C C B ALA A 149 ? 0.6186 0.5262 0.5515 0.0066 -0.0183 0.0031 149 ALA A C +1512 O O A ALA A 149 ? 0.7190 0.6278 0.6524 0.0051 -0.0170 0.0026 149 ALA A O +1513 O O B ALA A 149 ? 0.7227 0.6317 0.6562 0.0052 -0.0170 0.0025 149 ALA A O +1514 C CB A ALA A 149 ? 0.6369 0.5331 0.5623 0.0086 -0.0197 0.0040 149 ALA A CB +1515 C CB B ALA A 149 ? 0.6374 0.5337 0.5628 0.0085 -0.0198 0.0041 149 ALA A CB +1516 N N A PRO A 150 ? 0.6098 0.5199 0.5445 0.0058 -0.0192 0.0041 150 PRO A N +1517 N N B PRO A 150 ? 0.6090 0.5192 0.5437 0.0057 -0.0192 0.0040 150 PRO A N +1518 C CA A PRO A 150 ? 0.6447 0.5594 0.5822 0.0033 -0.0186 0.0042 150 PRO A CA +1519 C CA B PRO A 150 ? 0.6448 0.5595 0.5823 0.0033 -0.0185 0.0042 150 PRO A CA +1520 C C A PRO A 150 ? 0.6000 0.5201 0.5414 0.0041 -0.0174 0.0029 150 PRO A C +1521 C C B PRO A 150 ? 0.5989 0.5192 0.5404 0.0041 -0.0174 0.0029 150 PRO A C +1522 O O A PRO A 150 ? 0.6462 0.5684 0.5886 0.0021 -0.0162 0.0026 150 PRO A O +1523 O O B PRO A 150 ? 0.6484 0.5708 0.5910 0.0021 -0.0162 0.0026 150 PRO A O +1524 C CB A PRO A 150 ? 0.5778 0.4940 0.5164 0.0029 -0.0199 0.0053 150 PRO A CB +1525 C CB B PRO A 150 ? 0.5767 0.4927 0.5151 0.0028 -0.0198 0.0053 150 PRO A CB +1526 C CG A PRO A 150 ? 0.5913 0.5049 0.5283 0.0057 -0.0212 0.0054 150 PRO A CG +1527 C CG B PRO A 150 ? 0.5907 0.5046 0.5280 0.0057 -0.0211 0.0053 150 PRO A CG +1528 C CD A PRO A 150 ? 0.5820 0.4903 0.5155 0.0067 -0.0208 0.0051 150 PRO A CD +1529 C CD B PRO A 150 ? 0.5808 0.4894 0.5145 0.0068 -0.0208 0.0050 150 PRO A CD +1530 N N . LEU A 151 ? 0.6405 0.5630 0.5840 0.0070 -0.0178 0.0020 151 LEU A N +1531 C CA . LEU A 151 ? 0.6198 0.5478 0.5673 0.0076 -0.0165 0.0006 151 LEU A CA +1532 C C . LEU A 151 ? 0.6332 0.5599 0.5794 0.0073 -0.0147 -0.0002 151 LEU A C +1533 O O . LEU A 151 ? 0.6627 0.5930 0.6111 0.0058 -0.0132 -0.0008 151 LEU A O +1534 C CB . LEU A 151 ? 0.6648 0.5954 0.6147 0.0110 -0.0173 -0.0003 151 LEU A CB +1535 C CG . LEU A 151 ? 0.6834 0.6204 0.6381 0.0116 -0.0159 -0.0018 151 LEU A CG +1536 C CD1 . LEU A 151 ? 0.6087 0.5505 0.5667 0.0089 -0.0155 -0.0016 151 LEU A CD1 +1537 C CD2 . LEU A 151 ? 0.7642 0.7042 0.7216 0.0151 -0.0167 -0.0029 151 LEU A CD2 +1538 N N A ALA A 152 ? 0.6568 0.5782 0.5992 0.0085 -0.0147 -0.0004 152 ALA A N +1539 N N B ALA A 152 ? 0.6584 0.5799 0.6009 0.0085 -0.0147 -0.0004 152 ALA A N +1540 C CA A ALA A 152 ? 0.6102 0.5298 0.5508 0.0081 -0.0131 -0.0012 152 ALA A CA +1541 C CA B ALA A 152 ? 0.6081 0.5279 0.5489 0.0081 -0.0131 -0.0012 152 ALA A CA +1542 C C A ALA A 152 ? 0.6057 0.5247 0.5452 0.0047 -0.0124 -0.0005 152 ALA A C +1543 C C B ALA A 152 ? 0.6059 0.5251 0.5455 0.0048 -0.0123 -0.0006 152 ALA A C +1544 O O A ALA A 152 ? 0.6326 0.5528 0.5723 0.0039 -0.0108 -0.0013 152 ALA A O +1545 O O B ALA A 152 ? 0.6337 0.5541 0.5735 0.0039 -0.0107 -0.0013 152 ALA A O +1546 C CB A ALA A 152 ? 0.5845 0.4977 0.5207 0.0097 -0.0136 -0.0013 152 ALA A CB +1547 C CB B ALA A 152 ? 0.5838 0.4974 0.5203 0.0098 -0.0134 -0.0014 152 ALA A CB +1548 N N A SER A 153 ? 0.5986 0.5158 0.5367 0.0028 -0.0136 0.0008 153 SER A N +1549 N N B SER A 153 ? 0.5985 0.5157 0.5366 0.0028 -0.0135 0.0008 153 SER A N +1550 C CA A SER A 153 ? 0.5940 0.5106 0.5311 -0.0002 -0.0131 0.0014 153 SER A CA +1551 C CA B SER A 153 ? 0.5935 0.5100 0.5305 -0.0002 -0.0131 0.0014 153 SER A CA +1552 C C A SER A 153 ? 0.6522 0.5742 0.5927 -0.0015 -0.0121 0.0012 153 SER A C +1553 C C B SER A 153 ? 0.6538 0.5759 0.5943 -0.0015 -0.0121 0.0012 153 SER A C +1554 O O A SER A 153 ? 0.6521 0.5743 0.5919 -0.0031 -0.0109 0.0010 153 SER A O +1555 O O B SER A 153 ? 0.6541 0.5762 0.5938 -0.0032 -0.0109 0.0010 153 SER A O +1556 C CB A SER A 153 ? 0.6172 0.5311 0.5525 -0.0017 -0.0146 0.0028 153 SER A CB +1557 C CB B SER A 153 ? 0.6174 0.5312 0.5527 -0.0017 -0.0145 0.0028 153 SER A CB +1558 O OG A SER A 153 ? 0.6811 0.5895 0.6129 -0.0008 -0.0153 0.0030 153 SER A OG +1559 O OG B SER A 153 ? 0.6830 0.5914 0.6148 -0.0008 -0.0153 0.0030 153 SER A OG +1560 N N A ALA A 154 ? 0.6239 0.5503 0.5681 -0.0008 -0.0125 0.0012 154 ALA A N +1561 N N B ALA A 154 ? 0.6244 0.5507 0.5685 -0.0008 -0.0125 0.0012 154 ALA A N +1562 C CA A ALA A 154 ? 0.6435 0.5750 0.5911 -0.0021 -0.0115 0.0009 154 ALA A CA +1563 C CA B ALA A 154 ? 0.6451 0.5765 0.5927 -0.0020 -0.0115 0.0009 154 ALA A CA +1564 C C A ALA A 154 ? 0.6031 0.5367 0.5519 -0.0014 -0.0095 -0.0005 154 ALA A C +1565 C C B ALA A 154 ? 0.6032 0.5368 0.5519 -0.0013 -0.0095 -0.0005 154 ALA A C +1566 O O A ALA A 154 ? 0.6601 0.5951 0.6092 -0.0032 -0.0081 -0.0006 154 ALA A O +1567 O O B ALA A 154 ? 0.6628 0.5978 0.6119 -0.0031 -0.0081 -0.0006 154 ALA A O +1568 C CB A ALA A 154 ? 0.6327 0.5683 0.5839 -0.0014 -0.0126 0.0010 154 ALA A CB +1569 C CB B ALA A 154 ? 0.6318 0.5673 0.5829 -0.0012 -0.0126 0.0010 154 ALA A CB +1570 N N A PHE A 155 ? 0.6323 0.5658 0.5815 0.0013 -0.0093 -0.0015 155 PHE A N +1571 N N B PHE A 155 ? 0.6332 0.5666 0.5823 0.0013 -0.0093 -0.0015 155 PHE A N +1572 C CA A PHE A 155 ? 0.6132 0.5484 0.5632 0.0021 -0.0073 -0.0028 155 PHE A CA +1573 C CA B PHE A 155 ? 0.6129 0.5481 0.5628 0.0021 -0.0073 -0.0028 155 PHE A CA +1574 C C A PHE A 155 ? 0.5652 0.4965 0.5112 0.0006 -0.0062 -0.0027 155 PHE A C +1575 C C B PHE A 155 ? 0.5627 0.4940 0.5088 0.0006 -0.0061 -0.0027 155 PHE A C +1576 O O A PHE A 155 ? 0.6295 0.5625 0.5760 -0.0002 -0.0042 -0.0034 155 PHE A O +1577 O O B PHE A 155 ? 0.6313 0.5644 0.5779 -0.0001 -0.0042 -0.0034 155 PHE A O +1578 C CB A PHE A 155 ? 0.6249 0.5597 0.5752 0.0055 -0.0074 -0.0038 155 PHE A CB +1579 C CB B PHE A 155 ? 0.6245 0.5594 0.5749 0.0055 -0.0074 -0.0039 155 PHE A CB +1580 C CG A PHE A 155 ? 0.7065 0.6473 0.6620 0.0072 -0.0075 -0.0047 155 PHE A CG +1581 C CG B PHE A 155 ? 0.7085 0.6493 0.6640 0.0072 -0.0075 -0.0047 155 PHE A CG +1582 C CD1 A PHE A 155 ? 0.6604 0.6060 0.6193 0.0075 -0.0055 -0.0060 155 PHE A CD1 +1583 C CD1 B PHE A 155 ? 0.6606 0.6063 0.6197 0.0075 -0.0055 -0.0060 155 PHE A CD1 +1584 C CD2 A PHE A 155 ? 0.6420 0.5838 0.5990 0.0084 -0.0095 -0.0043 155 PHE A CD2 +1585 C CD2 B PHE A 155 ? 0.6413 0.5830 0.5983 0.0084 -0.0096 -0.0042 155 PHE A CD2 +1586 C CE1 A PHE A 155 ? 0.6582 0.6099 0.6224 0.0089 -0.0055 -0.0069 155 PHE A CE1 +1587 C CE1 B PHE A 155 ? 0.6567 0.6083 0.6209 0.0090 -0.0057 -0.0069 155 PHE A CE1 +1588 C CE2 A PHE A 155 ? 0.6503 0.5980 0.6123 0.0100 -0.0098 -0.0052 155 PHE A CE2 +1589 C CE2 B PHE A 155 ? 0.6500 0.5973 0.6117 0.0100 -0.0099 -0.0051 155 PHE A CE2 +1590 C CZ A PHE A 155 ? 0.6710 0.6237 0.6367 0.0102 -0.0078 -0.0066 155 PHE A CZ +1591 C CZ B PHE A 155 ? 0.6709 0.6233 0.6364 0.0103 -0.0080 -0.0065 155 PHE A CZ +1592 N N A ALA A 156 ? 0.5997 0.5256 0.5416 0.0001 -0.0073 -0.0019 156 ALA A N +1593 N N B ALA A 156 ? 0.5993 0.5253 0.5413 0.0000 -0.0073 -0.0019 156 ALA A N +1594 C CA A ALA A 156 ? 0.6009 0.5229 0.5389 -0.0011 -0.0065 -0.0020 156 ALA A CA +1595 C CA B ALA A 156 ? 0.5998 0.5219 0.5379 -0.0011 -0.0065 -0.0020 156 ALA A CA +1596 C C A ALA A 156 ? 0.6263 0.5499 0.5644 -0.0038 -0.0058 -0.0015 156 ALA A C +1597 C C B ALA A 156 ? 0.6269 0.5505 0.5650 -0.0039 -0.0057 -0.0015 156 ALA A C +1598 O O A ALA A 156 ? 0.6451 0.5682 0.5818 -0.0044 -0.0042 -0.0021 156 ALA A O +1599 O O B ALA A 156 ? 0.6472 0.5704 0.5839 -0.0045 -0.0041 -0.0021 156 ALA A O +1600 C CB A ALA A 156 ? 0.6226 0.5389 0.5566 -0.0013 -0.0081 -0.0013 156 ALA A CB +1601 C CB B ALA A 156 ? 0.6235 0.5399 0.5576 -0.0013 -0.0081 -0.0014 156 ALA A CB +1602 N N A VAL A 157 ? 0.5670 0.4922 0.5066 -0.0054 -0.0068 -0.0004 157 VAL A N +1603 N N B VAL A 157 ? 0.5665 0.4915 0.5060 -0.0055 -0.0068 -0.0004 157 VAL A N +1604 C CA A VAL A 157 ? 0.5572 0.4830 0.4963 -0.0079 -0.0063 0.0001 157 VAL A CA +1605 C CA B VAL A 157 ? 0.5562 0.4819 0.4952 -0.0079 -0.0063 0.0002 157 VAL A CA +1606 C C A VAL A 157 ? 0.5692 0.5000 0.5118 -0.0085 -0.0048 -0.0002 157 VAL A C +1607 C C B VAL A 157 ? 0.5687 0.4994 0.5112 -0.0085 -0.0048 -0.0002 157 VAL A C +1608 O O A VAL A 157 ? 0.6309 0.5620 0.5727 -0.0102 -0.0038 0.0000 157 VAL A O +1609 O O B VAL A 157 ? 0.6334 0.5644 0.5751 -0.0103 -0.0038 0.0000 157 VAL A O +1610 C CB A VAL A 157 ? 0.5600 0.4845 0.4984 -0.0095 -0.0081 0.0015 157 VAL A CB +1611 C CB B VAL A 157 ? 0.5599 0.4843 0.4982 -0.0095 -0.0081 0.0015 157 VAL A CB +1612 C CG1 A VAL A 157 ? 0.5284 0.4479 0.4634 -0.0092 -0.0094 0.0018 157 VAL A CG1 +1613 C CG1 B VAL A 157 ? 0.5274 0.4468 0.4623 -0.0092 -0.0094 0.0018 157 VAL A CG1 +1614 C CG2 A VAL A 157 ? 0.5628 0.4906 0.5047 -0.0090 -0.0091 0.0020 157 VAL A CG2 +1615 C CG2 B VAL A 157 ? 0.5623 0.4901 0.5042 -0.0092 -0.0091 0.0020 157 VAL A CG2 +1616 N N A PHE A 158 ? 0.5879 0.5226 0.5343 -0.0070 -0.0046 -0.0009 158 PHE A N +1617 N N B PHE A 158 ? 0.5875 0.5221 0.5338 -0.0070 -0.0046 -0.0008 158 PHE A N +1618 C CA A PHE A 158 ? 0.6107 0.5504 0.5609 -0.0077 -0.0032 -0.0014 158 PHE A CA +1619 C CA B PHE A 158 ? 0.6109 0.5505 0.5609 -0.0077 -0.0032 -0.0013 158 PHE A CA +1620 C C A PHE A 158 ? 0.6623 0.6039 0.6136 -0.0064 -0.0010 -0.0028 158 PHE A C +1621 C C B PHE A 158 ? 0.6638 0.6054 0.6151 -0.0065 -0.0010 -0.0027 158 PHE A C +1622 O O A PHE A 158 ? 0.6475 0.5924 0.6009 -0.0075 0.0007 -0.0032 158 PHE A O +1623 O O B PHE A 158 ? 0.6495 0.5944 0.6029 -0.0076 0.0007 -0.0032 158 PHE A O +1624 C CB A PHE A 158 ? 0.5928 0.5364 0.5471 -0.0072 -0.0045 -0.0012 158 PHE A CB +1625 C CB B PHE A 158 ? 0.5925 0.5360 0.5466 -0.0072 -0.0045 -0.0012 158 PHE A CB +1626 C CG A PHE A 158 ? 0.5794 0.5218 0.5329 -0.0086 -0.0063 0.0001 158 PHE A CG +1627 C CG B PHE A 158 ? 0.5784 0.5206 0.5317 -0.0086 -0.0063 0.0001 158 PHE A CG +1628 C CD1 A PHE A 158 ? 0.6132 0.5539 0.5645 -0.0110 -0.0060 0.0010 158 PHE A CD1 +1629 C CD1 B PHE A 158 ? 0.6147 0.5553 0.5659 -0.0109 -0.0061 0.0010 158 PHE A CD1 +1630 C CD2 A PHE A 158 ? 0.6139 0.5568 0.5686 -0.0076 -0.0082 0.0005 158 PHE A CD2 +1631 C CD2 B PHE A 158 ? 0.6142 0.5570 0.5689 -0.0075 -0.0082 0.0005 158 PHE A CD2 +1632 C CE1 A PHE A 158 ? 0.5795 0.5193 0.5302 -0.0121 -0.0076 0.0022 158 PHE A CE1 +1633 C CE1 B PHE A 158 ? 0.5795 0.5193 0.5302 -0.0121 -0.0076 0.0022 158 PHE A CE1 +1634 C CE2 A PHE A 158 ? 0.6287 0.5706 0.5827 -0.0088 -0.0097 0.0018 158 PHE A CE2 +1635 C CE2 B PHE A 158 ? 0.6299 0.5717 0.5839 -0.0088 -0.0097 0.0018 158 PHE A CE2 +1636 C CZ A PHE A 158 ? 0.5981 0.5386 0.5503 -0.0111 -0.0093 0.0025 158 PHE A CZ +1637 C CZ B PHE A 158 ? 0.5992 0.5396 0.5513 -0.0111 -0.0093 0.0025 158 PHE A CZ +1638 N N A LEU A 159 ? 0.6620 0.6018 0.6121 -0.0042 -0.0010 -0.0035 159 LEU A N +1639 N N B LEU A 159 ? 0.6635 0.6033 0.6136 -0.0042 -0.0010 -0.0035 159 LEU A N +1640 C CA A LEU A 159 ? 0.7071 0.6492 0.6588 -0.0028 0.0011 -0.0049 159 LEU A CA +1641 C CA B LEU A 159 ? 0.7089 0.6512 0.6608 -0.0028 0.0011 -0.0049 159 LEU A CA +1642 C C A LEU A 159 ? 0.7493 0.6869 0.6967 -0.0018 0.0020 -0.0055 159 LEU A C +1643 C C B LEU A 159 ? 0.7530 0.6908 0.7005 -0.0018 0.0020 -0.0055 159 LEU A C +1644 O O A LEU A 159 ? 0.6729 0.6109 0.6195 -0.0022 0.0043 -0.0062 159 LEU A O +1645 O O B LEU A 159 ? 0.6745 0.6126 0.6211 -0.0024 0.0042 -0.0061 159 LEU A O +1646 C CB A LEU A 159 ? 0.6055 0.5513 0.5613 -0.0002 0.0004 -0.0058 159 LEU A CB +1647 C CB B LEU A 159 ? 0.6035 0.5494 0.5594 -0.0002 0.0004 -0.0057 159 LEU A CB +1648 C CG A LEU A 159 ? 0.6951 0.6446 0.6537 0.0013 0.0027 -0.0074 159 LEU A CG +1649 C CG B LEU A 159 ? 0.6961 0.6455 0.6546 0.0014 0.0026 -0.0074 159 LEU A CG +1650 C CD1 A LEU A 159 ? 0.7395 0.6936 0.7012 -0.0008 0.0046 -0.0076 159 LEU A CD1 +1651 C CD1 B LEU A 159 ? 0.7404 0.6944 0.7020 -0.0007 0.0047 -0.0077 159 LEU A CD1 +1652 C CD2 A LEU A 159 ? 0.6346 0.5871 0.5966 0.0043 0.0017 -0.0083 159 LEU A CD2 +1653 C CD2 B LEU A 159 ? 0.6349 0.5874 0.5970 0.0044 0.0016 -0.0082 159 LEU A CD2 +1654 N N A ILE A 160 ? 0.6219 0.5551 0.5663 -0.0006 0.0004 -0.0052 160 ILE A N +1655 N N B ILE A 160 ? 0.6214 0.5548 0.5660 -0.0005 0.0004 -0.0053 160 ILE A N +1656 C CA A ILE A 160 ? 0.6429 0.5719 0.5833 0.0006 0.0012 -0.0059 160 ILE A CA +1657 C CA B ILE A 160 ? 0.6434 0.5725 0.5840 0.0007 0.0012 -0.0060 160 ILE A CA +1658 C C A ILE A 160 ? 0.6094 0.5351 0.5457 -0.0017 0.0019 -0.0055 160 ILE A C +1659 C C B ILE A 160 ? 0.6084 0.5343 0.5449 -0.0016 0.0020 -0.0055 160 ILE A C +1660 O O A ILE A 160 ? 0.6150 0.5396 0.5493 -0.0015 0.0038 -0.0063 160 ILE A O +1661 O O B ILE A 160 ? 0.6170 0.5419 0.5516 -0.0014 0.0039 -0.0063 160 ILE A O +1662 C CB A ILE A 160 ? 0.6875 0.6121 0.6255 0.0024 -0.0007 -0.0058 160 ILE A CB +1663 C CB B ILE A 160 ? 0.6895 0.6143 0.6277 0.0024 -0.0007 -0.0058 160 ILE A CB +1664 C CG1 A ILE A 160 ? 0.6380 0.5658 0.5799 0.0046 -0.0016 -0.0061 160 ILE A CG1 +1665 C CG1 B ILE A 160 ? 0.6388 0.5667 0.5808 0.0048 -0.0016 -0.0061 160 ILE A CG1 +1666 C CG2 A ILE A 160 ? 0.6156 0.5361 0.5498 0.0039 0.0003 -0.0068 160 ILE A CG2 +1667 C CG2 B ILE A 160 ? 0.6155 0.5357 0.5495 0.0037 0.0001 -0.0067 160 ILE A CG2 +1668 C CD1 A ILE A 160 ? 0.6377 0.5696 0.5828 0.0069 0.0001 -0.0076 160 ILE A CD1 +1669 C CD1 B ILE A 160 ? 0.6367 0.5686 0.5818 0.0070 0.0002 -0.0077 160 ILE A CD1 +1670 N N A TYR A 161 ? 0.6378 0.5618 0.5728 -0.0037 0.0004 -0.0042 161 TYR A N +1671 N N B TYR A 161 ? 0.6391 0.5632 0.5742 -0.0036 0.0004 -0.0043 161 TYR A N +1672 C CA A TYR A 161 ? 0.6402 0.5612 0.5713 -0.0057 0.0008 -0.0038 161 TYR A CA +1673 C CA B TYR A 161 ? 0.6396 0.5607 0.5709 -0.0056 0.0008 -0.0039 161 TYR A CA +1674 C C A TYR A 161 ? 0.6519 0.5758 0.5840 -0.0068 0.0031 -0.0042 161 TYR A C +1675 C C B TYR A 161 ? 0.6524 0.5762 0.5844 -0.0067 0.0032 -0.0042 161 TYR A C +1676 O O A TYR A 161 ? 0.6457 0.5671 0.5743 -0.0070 0.0045 -0.0046 161 TYR A O +1677 O O B TYR A 161 ? 0.6455 0.5667 0.5740 -0.0071 0.0044 -0.0046 161 TYR A O +1678 C CB A TYR A 161 ? 0.5971 0.5165 0.5273 -0.0076 -0.0013 -0.0024 161 TYR A CB +1679 C CB B TYR A 161 ? 0.5983 0.5178 0.5286 -0.0075 -0.0012 -0.0025 161 TYR A CB +1680 C CG A TYR A 161 ? 0.6257 0.5414 0.5514 -0.0092 -0.0013 -0.0022 161 TYR A CG +1681 C CG B TYR A 161 ? 0.6265 0.5423 0.5524 -0.0091 -0.0013 -0.0022 161 TYR A CG +1682 C CD1 A TYR A 161 ? 0.5590 0.4701 0.4807 -0.0085 -0.0016 -0.0027 161 TYR A CD1 +1683 C CD1 B TYR A 161 ? 0.5571 0.4682 0.4789 -0.0085 -0.0016 -0.0027 161 TYR A CD1 +1684 C CD2 A TYR A 161 ? 0.5928 0.5095 0.5183 -0.0112 -0.0009 -0.0015 161 TYR A CD2 +1685 C CD2 B TYR A 161 ? 0.5925 0.5094 0.5182 -0.0111 -0.0010 -0.0015 161 TYR A CD2 +1686 C CE1 A TYR A 161 ? 0.5993 0.5072 0.5170 -0.0099 -0.0017 -0.0026 161 TYR A CE1 +1687 C CE1 B TYR A 161 ? 0.6002 0.5081 0.5180 -0.0098 -0.0018 -0.0026 161 TYR A CE1 +1688 C CE2 A TYR A 161 ? 0.5624 0.4757 0.4837 -0.0124 -0.0011 -0.0013 161 TYR A CE2 +1689 C CE2 B TYR A 161 ? 0.5606 0.4740 0.4821 -0.0124 -0.0012 -0.0013 161 TYR A CE2 +1690 C CZ A TYR A 161 ? 0.6080 0.5171 0.5255 -0.0117 -0.0015 -0.0019 161 TYR A CZ +1691 C CZ B TYR A 161 ? 0.6085 0.5176 0.5262 -0.0117 -0.0016 -0.0019 161 TYR A CZ +1692 O OH A TYR A 161 ? 0.6316 0.5375 0.5450 -0.0129 -0.0018 -0.0018 161 TYR A OH +1693 O OH B TYR A 161 ? 0.6378 0.5436 0.5513 -0.0128 -0.0020 -0.0018 161 TYR A OH +1694 N N A PRO A 162 ? 0.6923 0.6211 0.6286 -0.0075 0.0038 -0.0040 162 PRO A N +1695 N N B PRO A 162 ? 0.6957 0.6245 0.6321 -0.0074 0.0038 -0.0040 162 PRO A N +1696 C CA A PRO A 162 ? 0.5948 0.5261 0.5319 -0.0085 0.0064 -0.0044 162 PRO A CA +1697 C CA B PRO A 162 ? 0.5928 0.5240 0.5299 -0.0084 0.0064 -0.0045 162 PRO A CA +1698 C C A PRO A 162 ? 0.6669 0.5985 0.6037 -0.0068 0.0086 -0.0058 162 PRO A C +1699 C C B PRO A 162 ? 0.6689 0.6003 0.6055 -0.0067 0.0087 -0.0059 162 PRO A C +1700 O O A PRO A 162 ? 0.6471 0.5778 0.5815 -0.0076 0.0107 -0.0061 162 PRO A O +1701 O O B PRO A 162 ? 0.6475 0.5777 0.5815 -0.0075 0.0107 -0.0062 162 PRO A O +1702 C CB A PRO A 162 ? 0.5766 0.5134 0.5192 -0.0091 0.0063 -0.0042 162 PRO A CB +1703 C CB B PRO A 162 ? 0.5777 0.5144 0.5202 -0.0090 0.0064 -0.0043 162 PRO A CB +1704 C CG A PRO A 162 ? 0.5263 0.4621 0.4692 -0.0095 0.0036 -0.0031 162 PRO A CG +1705 C CG B PRO A 162 ? 0.5239 0.4597 0.4667 -0.0095 0.0037 -0.0032 162 PRO A CG +1706 C CD A PRO A 162 ? 0.5515 0.4833 0.4916 -0.0078 0.0022 -0.0033 162 PRO A CD +1707 C CD B PRO A 162 ? 0.5501 0.4817 0.4901 -0.0078 0.0022 -0.0033 162 PRO A CD +1708 N N A ILE A 163 ? 0.6481 0.5809 0.5870 -0.0044 0.0084 -0.0067 163 ILE A N +1709 N N B ILE A 163 ? 0.6499 0.5826 0.5887 -0.0043 0.0084 -0.0068 163 ILE A N +1710 C CA A ILE A 163 ? 0.6497 0.5832 0.5885 -0.0026 0.0107 -0.0081 163 ILE A CA +1711 C CA B ILE A 163 ? 0.6501 0.5835 0.5888 -0.0025 0.0107 -0.0082 163 ILE A CA +1712 C C A ILE A 163 ? 0.6834 0.6112 0.6161 -0.0024 0.0112 -0.0084 163 ILE A C +1713 C C B ILE A 163 ? 0.6851 0.6127 0.6177 -0.0024 0.0112 -0.0084 163 ILE A C +1714 O O A ILE A 163 ? 0.6822 0.6097 0.6132 -0.0026 0.0137 -0.0091 163 ILE A O +1715 O O B ILE A 163 ? 0.6839 0.6112 0.6148 -0.0025 0.0137 -0.0091 163 ILE A O +1716 C CB A ILE A 163 ? 0.6697 0.6053 0.6116 0.0003 0.0100 -0.0090 163 ILE A CB +1717 C CB B ILE A 163 ? 0.6699 0.6054 0.6118 0.0004 0.0100 -0.0090 163 ILE A CB +1718 C CG1 A ILE A 163 ? 0.6443 0.5863 0.5926 0.0003 0.0099 -0.0092 163 ILE A CG1 +1719 C CG1 B ILE A 163 ? 0.6439 0.5858 0.5921 0.0003 0.0098 -0.0091 163 ILE A CG1 +1720 C CG2 A ILE A 163 ? 0.6703 0.6054 0.6112 0.0024 0.0123 -0.0105 163 ILE A CG2 +1721 C CG2 B ILE A 163 ? 0.6704 0.6055 0.6113 0.0025 0.0122 -0.0105 163 ILE A CG2 +1722 C CD1 A ILE A 163 ? 0.6783 0.6223 0.6296 0.0035 0.0087 -0.0100 163 ILE A CD1 +1723 C CD1 B ILE A 163 ? 0.6784 0.6224 0.6297 0.0034 0.0088 -0.0100 163 ILE A CD1 +1724 N N A GLY A 164 ? 0.6633 0.5864 0.5927 -0.0021 0.0090 -0.0079 164 GLY A N +1725 N N B GLY A 164 ? 0.6643 0.5872 0.5936 -0.0021 0.0090 -0.0079 164 GLY A N +1726 C CA A GLY A 164 ? 0.6293 0.5467 0.5529 -0.0019 0.0091 -0.0082 164 GLY A CA +1727 C CA B GLY A 164 ? 0.6276 0.5450 0.5511 -0.0019 0.0092 -0.0083 164 GLY A CA +1728 C C A GLY A 164 ? 0.6591 0.5749 0.5794 -0.0042 0.0100 -0.0077 164 GLY A C +1729 C C B GLY A 164 ? 0.6591 0.5747 0.5793 -0.0042 0.0099 -0.0077 164 GLY A C +1730 O O A GLY A 164 ? 0.6643 0.5774 0.5808 -0.0040 0.0116 -0.0084 164 GLY A O +1731 O O B GLY A 164 ? 0.6651 0.5778 0.5812 -0.0041 0.0113 -0.0083 164 GLY A O +1732 N N A GLN A 165 ? 0.6632 0.5805 0.5849 -0.0063 0.0091 -0.0065 165 GLN A N +1733 N N B GLN A 165 ? 0.6638 0.5810 0.5854 -0.0063 0.0090 -0.0065 165 GLN A N +1734 C CA A GLN A 165 ? 0.6229 0.5385 0.5413 -0.0084 0.0097 -0.0059 165 GLN A CA +1735 C CA B GLN A 165 ? 0.6224 0.5379 0.5409 -0.0084 0.0095 -0.0058 165 GLN A CA +1736 C C A GLN A 165 ? 0.6338 0.5529 0.5541 -0.0092 0.0125 -0.0061 165 GLN A C +1737 C C B GLN A 165 ? 0.6339 0.5529 0.5542 -0.0092 0.0123 -0.0061 165 GLN A C +1738 O O A GLN A 165 ? 0.6043 0.5217 0.5215 -0.0107 0.0134 -0.0057 165 GLN A O +1739 O O B GLN A 165 ? 0.6044 0.5218 0.5216 -0.0107 0.0132 -0.0056 165 GLN A O +1740 C CB A GLN A 165 ? 0.6429 0.5579 0.5614 -0.0101 0.0073 -0.0045 165 GLN A CB +1741 C CB B GLN A 165 ? 0.6435 0.5585 0.5621 -0.0101 0.0071 -0.0045 165 GLN A CB +1742 C CG A GLN A 165 ? 0.6260 0.5375 0.5428 -0.0096 0.0046 -0.0042 165 GLN A CG +1743 C CG B GLN A 165 ? 0.6251 0.5367 0.5421 -0.0096 0.0045 -0.0042 165 GLN A CG +1744 C CD A GLN A 165 ? 0.6549 0.5612 0.5661 -0.0093 0.0044 -0.0049 165 GLN A CD +1745 C CD B GLN A 165 ? 0.6553 0.5617 0.5667 -0.0093 0.0043 -0.0048 165 GLN A CD +1746 O OE1 A GLN A 165 ? 0.6250 0.5290 0.5326 -0.0105 0.0045 -0.0046 165 GLN A OE1 +1747 O OE1 B GLN A 165 ? 0.6250 0.5291 0.5329 -0.0106 0.0043 -0.0045 165 GLN A OE1 +1748 N NE2 A GLN A 165 ? 0.5894 0.4935 0.4997 -0.0074 0.0040 -0.0057 165 GLN A NE2 +1749 N NE2 B GLN A 165 ? 0.5877 0.4919 0.4981 -0.0075 0.0040 -0.0057 165 GLN A NE2 +1750 N N A GLY A 166 ? 0.6358 0.5597 0.5610 -0.0083 0.0138 -0.0068 166 GLY A N +1751 N N B GLY A 166 ? 0.6355 0.5593 0.5606 -0.0082 0.0137 -0.0068 166 GLY A N +1752 C CA A GLY A 166 ? 0.6093 0.5366 0.5364 -0.0091 0.0168 -0.0072 166 GLY A CA +1753 C CA B GLY A 166 ? 0.6075 0.5348 0.5347 -0.0090 0.0167 -0.0072 166 GLY A CA +1754 C C A GLY A 166 ? 0.6826 0.6130 0.6126 -0.0113 0.0168 -0.0062 166 GLY A C +1755 C C B GLY A 166 ? 0.6851 0.6156 0.6152 -0.0112 0.0167 -0.0063 166 GLY A C +1756 O O A GLY A 166 ? 0.6695 0.6018 0.6001 -0.0124 0.0193 -0.0064 166 GLY A O +1757 O O B GLY A 166 ? 0.6705 0.6030 0.6014 -0.0123 0.0193 -0.0065 166 GLY A O +1758 N N A SER A 167 ? 0.6495 0.5805 0.5812 -0.0120 0.0142 -0.0053 167 SER A N +1759 N N B SER A 167 ? 0.6499 0.5807 0.5815 -0.0119 0.0142 -0.0053 167 SER A N +1760 C CA A SER A 167 ? 0.6292 0.5628 0.5633 -0.0140 0.0143 -0.0044 167 SER A CA +1761 C CA B SER A 167 ? 0.6294 0.5629 0.5634 -0.0140 0.0143 -0.0044 167 SER A CA +1762 C C A SER A 167 ? 0.6567 0.5920 0.5940 -0.0141 0.0115 -0.0037 167 SER A C +1763 C C B SER A 167 ? 0.6591 0.5941 0.5960 -0.0141 0.0115 -0.0037 167 SER A C +1764 O O A SER A 167 ? 0.6451 0.5775 0.5804 -0.0136 0.0092 -0.0031 167 SER A O +1765 O O B SER A 167 ? 0.6466 0.5784 0.5812 -0.0138 0.0091 -0.0030 167 SER A O +1766 C CB A SER A 167 ? 0.6059 0.5358 0.5352 -0.0159 0.0145 -0.0035 167 SER A CB +1767 C CB B SER A 167 ? 0.6048 0.5346 0.5340 -0.0159 0.0147 -0.0035 167 SER A CB +1768 O OG A SER A 167 ? 0.6355 0.5677 0.5669 -0.0179 0.0149 -0.0028 167 SER A OG +1769 O OG B SER A 167 ? 0.6362 0.5683 0.5675 -0.0179 0.0149 -0.0028 167 SER A OG +1770 N N A PHE A 168 ? 0.5737 0.5138 0.5159 -0.0147 0.0119 -0.0038 168 PHE A N +1771 N N B PHE A 168 ? 0.5718 0.5117 0.5138 -0.0147 0.0117 -0.0037 168 PHE A N +1772 C CA A PHE A 168 ? 0.6383 0.5798 0.5830 -0.0151 0.0094 -0.0030 168 PHE A CA +1773 C CA B PHE A 168 ? 0.6397 0.5809 0.5842 -0.0151 0.0092 -0.0029 168 PHE A CA +1774 C C A PHE A 168 ? 0.6210 0.5597 0.5628 -0.0170 0.0082 -0.0016 168 PHE A C +1775 C C B PHE A 168 ? 0.6234 0.5617 0.5648 -0.0170 0.0081 -0.0015 168 PHE A C +1776 O O A PHE A 168 ? 0.6025 0.5414 0.5453 -0.0173 0.0060 -0.0008 168 PHE A O +1777 O O B PHE A 168 ? 0.6032 0.5418 0.5457 -0.0173 0.0059 -0.0008 168 PHE A O +1778 C CB A PHE A 168 ? 0.5806 0.5280 0.5312 -0.0154 0.0100 -0.0035 168 PHE A CB +1779 C CB B PHE A 168 ? 0.5797 0.5268 0.5300 -0.0154 0.0098 -0.0034 168 PHE A CB +1780 C CG A PHE A 168 ? 0.6213 0.5720 0.5755 -0.0131 0.0103 -0.0047 168 PHE A CG +1781 C CG B PHE A 168 ? 0.6223 0.5728 0.5763 -0.0132 0.0103 -0.0047 168 PHE A CG +1782 C CD1 A PHE A 168 ? 0.5932 0.5433 0.5481 -0.0111 0.0080 -0.0047 168 PHE A CD1 +1783 C CD1 B PHE A 168 ? 0.5927 0.5429 0.5476 -0.0112 0.0081 -0.0047 168 PHE A CD1 +1784 C CD2 A PHE A 168 ? 0.5979 0.5520 0.5547 -0.0129 0.0130 -0.0060 168 PHE A CD2 +1785 C CD2 B PHE A 168 ? 0.5956 0.5495 0.5521 -0.0131 0.0131 -0.0059 168 PHE A CD2 +1786 C CE1 A PHE A 168 ? 0.6927 0.6455 0.6506 -0.0087 0.0083 -0.0059 168 PHE A CE1 +1787 C CE1 B PHE A 168 ? 0.6968 0.6499 0.6549 -0.0088 0.0084 -0.0060 168 PHE A CE1 +1788 C CE2 A PHE A 168 ? 0.6135 0.5709 0.5737 -0.0105 0.0133 -0.0073 168 PHE A CE2 +1789 C CE2 B PHE A 168 ? 0.6170 0.5743 0.5771 -0.0108 0.0135 -0.0072 168 PHE A CE2 +1790 C CZ A PHE A 168 ? 0.6469 0.6036 0.6076 -0.0083 0.0109 -0.0072 168 PHE A CZ +1791 C CZ B PHE A 168 ? 0.6473 0.6042 0.6081 -0.0086 0.0111 -0.0072 168 PHE A CZ +1792 N N A SER A 169 ? 0.6259 0.5620 0.5639 -0.0183 0.0096 -0.0013 169 SER A N +1793 N N B SER A 169 ? 0.6232 0.5587 0.5607 -0.0182 0.0095 -0.0013 169 SER A N +1794 C CA A SER A 169 ? 0.6324 0.5654 0.5671 -0.0198 0.0084 -0.0001 169 SER A CA +1795 C CA B SER A 169 ? 0.6323 0.5650 0.5667 -0.0198 0.0082 -0.0001 169 SER A CA +1796 C C A SER A 169 ? 0.6789 0.6083 0.6107 -0.0190 0.0060 0.0004 169 SER A C +1797 C C B SER A 169 ? 0.6824 0.6114 0.6138 -0.0190 0.0058 0.0004 169 SER A C +1798 O O A SER A 169 ? 0.6311 0.5588 0.5614 -0.0200 0.0043 0.0013 169 SER A O +1799 O O B SER A 169 ? 0.6343 0.5616 0.5641 -0.0201 0.0042 0.0014 169 SER A O +1800 C CB A SER A 169 ? 0.6349 0.5656 0.5658 -0.0210 0.0104 0.0000 169 SER A CB +1801 C CB B SER A 169 ? 0.6349 0.5654 0.5656 -0.0210 0.0103 0.0001 169 SER A CB +1802 O OG A SER A 169 ? 0.6693 0.5964 0.5960 -0.0200 0.0110 -0.0005 169 SER A OG +1803 O OG B SER A 169 ? 0.6716 0.5985 0.5980 -0.0201 0.0110 -0.0004 169 SER A OG +1804 N N A ASP A 170 ? 0.6211 0.5493 0.5523 -0.0173 0.0057 -0.0004 170 ASP A N +1805 N N B ASP A 170 ? 0.6258 0.5535 0.5564 -0.0173 0.0055 -0.0003 170 ASP A N +1806 C CA A ASP A 170 ? 0.6243 0.5491 0.5531 -0.0166 0.0034 -0.0001 170 ASP A CA +1807 C CA B ASP A 170 ? 0.6277 0.5521 0.5561 -0.0167 0.0032 0.0000 170 ASP A CA +1808 C C A ASP A 170 ? 0.6310 0.5576 0.5631 -0.0155 0.0017 0.0000 170 ASP A C +1809 C C B ASP A 170 ? 0.6319 0.5581 0.5637 -0.0156 0.0016 0.0000 170 ASP A C +1810 O O A ASP A 170 ? 0.6747 0.5985 0.6051 -0.0148 0.0001 0.0001 170 ASP A O +1811 O O B ASP A 170 ? 0.6778 0.6013 0.6079 -0.0149 -0.0001 0.0002 170 ASP A O +1812 C CB A ASP A 170 ? 0.5961 0.5173 0.5209 -0.0155 0.0041 -0.0009 170 ASP A CB +1813 C CB B ASP A 170 ? 0.5992 0.5199 0.5235 -0.0157 0.0037 -0.0007 170 ASP A CB +1814 C CG A ASP A 170 ? 0.6137 0.5313 0.5336 -0.0167 0.0042 -0.0005 170 ASP A CG +1815 C CG B ASP A 170 ? 0.6188 0.5361 0.5384 -0.0169 0.0040 -0.0003 170 ASP A CG +1816 O OD1 A ASP A 170 ? 0.6584 0.5732 0.5747 -0.0161 0.0052 -0.0012 170 ASP A OD1 +1817 O OD1 B ASP A 170 ? 0.6529 0.5674 0.5689 -0.0164 0.0051 -0.0010 170 ASP A OD1 +1818 O OD2 A ASP A 170 ? 0.6087 0.5262 0.5283 -0.0181 0.0033 0.0005 170 ASP A OD2 +1819 O OD2 B ASP A 170 ? 0.5959 0.5133 0.5153 -0.0184 0.0031 0.0007 170 ASP A OD2 +1820 N N A GLY A 171 ? 0.6418 0.5727 0.5784 -0.0154 0.0021 -0.0001 171 GLY A N +1821 N N B GLY A 171 ? 0.6449 0.5755 0.5812 -0.0153 0.0020 -0.0001 171 GLY A N +1822 C CA A GLY A 171 ? 0.6026 0.5350 0.5421 -0.0145 0.0002 0.0001 171 GLY A CA +1823 C CA B GLY A 171 ? 0.6023 0.5344 0.5415 -0.0144 0.0002 0.0001 171 GLY A CA +1824 C C A GLY A 171 ? 0.6600 0.5916 0.5991 -0.0158 -0.0017 0.0013 171 GLY A C +1825 C C B GLY A 171 ? 0.6616 0.5929 0.6004 -0.0158 -0.0017 0.0014 171 GLY A C +1826 O O A GLY A 171 ? 0.6098 0.5408 0.5475 -0.0174 -0.0015 0.0020 171 GLY A O +1827 O O B GLY A 171 ? 0.6042 0.5346 0.5414 -0.0174 -0.0016 0.0020 171 GLY A O +1828 N N A MET A 172 ? 0.5692 0.5006 0.5094 -0.0150 -0.0036 0.0017 172 MET A N +1829 N N B MET A 172 ? 0.5684 0.4997 0.5085 -0.0150 -0.0036 0.0017 172 MET A N +1830 C CA A MET A 172 ? 0.6316 0.5622 0.5714 -0.0162 -0.0053 0.0029 172 MET A CA +1831 C CA B MET A 172 ? 0.6328 0.5632 0.5725 -0.0161 -0.0053 0.0029 172 MET A CA +1832 C C A MET A 172 ? 0.6176 0.5516 0.5602 -0.0173 -0.0050 0.0033 172 MET A C +1833 C C B MET A 172 ? 0.6191 0.5531 0.5617 -0.0173 -0.0051 0.0033 172 MET A C +1834 O O A MET A 172 ? 0.5974 0.5351 0.5436 -0.0167 -0.0046 0.0028 172 MET A O +1835 O O B MET A 172 ? 0.5978 0.5352 0.5438 -0.0167 -0.0047 0.0028 172 MET A O +1836 C CB A MET A 172 ? 0.6027 0.5322 0.5429 -0.0150 -0.0072 0.0032 172 MET A CB +1837 C CB B MET A 172 ? 0.6027 0.5320 0.5427 -0.0150 -0.0072 0.0032 172 MET A CB +1838 C CG A MET A 172 ? 0.5636 0.4915 0.5026 -0.0163 -0.0088 0.0044 172 MET A CG +1839 C CG B MET A 172 ? 0.5641 0.4922 0.5034 -0.0162 -0.0088 0.0044 172 MET A CG +1840 S SD A MET A 172 ? 0.6450 0.5713 0.5842 -0.0152 -0.0107 0.0049 172 MET A SD +1841 S SD B MET A 172 ? 0.6541 0.5805 0.5935 -0.0150 -0.0107 0.0048 172 MET A SD +1842 C CE A MET A 172 ? 0.5520 0.4825 0.4952 -0.0148 -0.0112 0.0052 172 MET A CE +1843 C CE B MET A 172 ? 0.5503 0.4808 0.4935 -0.0148 -0.0113 0.0052 172 MET A CE +1844 N N A PRO A 173 ? 0.6218 0.5550 0.5630 -0.0190 -0.0054 0.0041 173 PRO A N +1845 N N B PRO A 173 ? 0.6229 0.5559 0.5640 -0.0190 -0.0054 0.0041 173 PRO A N +1846 C CA A PRO A 173 ? 0.5837 0.5197 0.5273 -0.0202 -0.0052 0.0045 173 PRO A CA +1847 C CA B PRO A 173 ? 0.5826 0.5185 0.5261 -0.0201 -0.0053 0.0045 173 PRO A CA +1848 C C A PRO A 173 ? 0.5872 0.5249 0.5333 -0.0197 -0.0069 0.0049 173 PRO A C +1849 C C B PRO A 173 ? 0.5871 0.5247 0.5332 -0.0196 -0.0069 0.0049 173 PRO A C +1850 O O A PRO A 173 ? 0.6339 0.5698 0.5791 -0.0188 -0.0083 0.0053 173 PRO A O +1851 O O B PRO A 173 ? 0.6384 0.5743 0.5837 -0.0187 -0.0084 0.0052 173 PRO A O +1852 C CB A PRO A 173 ? 0.5911 0.5249 0.5318 -0.0217 -0.0055 0.0054 173 PRO A CB +1853 C CB B PRO A 173 ? 0.5922 0.5259 0.5329 -0.0217 -0.0056 0.0054 173 PRO A CB +1854 C CG A PRO A 173 ? 0.5969 0.5273 0.5338 -0.0215 -0.0051 0.0051 173 PRO A CG +1855 C CG B PRO A 173 ? 0.5983 0.5286 0.5352 -0.0214 -0.0051 0.0051 173 PRO A CG +1856 C CD A PRO A 173 ? 0.5818 0.5114 0.5191 -0.0198 -0.0058 0.0046 173 PRO A CD +1857 C CD B PRO A 173 ? 0.5807 0.5102 0.5179 -0.0198 -0.0058 0.0046 173 PRO A CD +1858 N N A LEU A 174 ? 0.6042 0.5452 0.5533 -0.0202 -0.0067 0.0049 174 LEU A N +1859 N N B LEU A 174 ? 0.6072 0.5482 0.5562 -0.0201 -0.0067 0.0048 174 LEU A N +1860 C CA A LEU A 174 ? 0.5766 0.5194 0.5280 -0.0197 -0.0082 0.0052 174 LEU A CA +1861 C CA B LEU A 174 ? 0.5767 0.5195 0.5282 -0.0196 -0.0082 0.0051 174 LEU A CA +1862 C C A LEU A 174 ? 0.5791 0.5208 0.5293 -0.0210 -0.0093 0.0063 174 LEU A C +1863 C C B LEU A 174 ? 0.5788 0.5206 0.5292 -0.0210 -0.0093 0.0063 174 LEU A C +1864 O O A LEU A 174 ? 0.5973 0.5410 0.5491 -0.0220 -0.0092 0.0064 174 LEU A O +1865 O O B LEU A 174 ? 0.5985 0.5422 0.5504 -0.0220 -0.0092 0.0064 174 LEU A O +1866 C CB A LEU A 174 ? 0.5457 0.4929 0.5012 -0.0194 -0.0077 0.0043 174 LEU A CB +1867 C CB B LEU A 174 ? 0.5460 0.4932 0.5015 -0.0193 -0.0076 0.0043 174 LEU A CB +1868 C CG A LEU A 174 ? 0.6238 0.5726 0.5808 -0.0181 -0.0063 0.0031 174 LEU A CG +1869 C CG B LEU A 174 ? 0.6276 0.5765 0.5848 -0.0179 -0.0064 0.0030 174 LEU A CG +1870 C CD1 A LEU A 174 ? 0.5857 0.5393 0.5473 -0.0177 -0.0062 0.0022 174 LEU A CD1 +1871 C CD1 B LEU A 174 ? 0.5855 0.5392 0.5473 -0.0176 -0.0063 0.0022 174 LEU A CD1 +1872 C CD2 A LEU A 174 ? 0.5648 0.5112 0.5203 -0.0161 -0.0071 0.0029 174 LEU A CD2 +1873 C CD2 B LEU A 174 ? 0.5612 0.5080 0.5171 -0.0159 -0.0073 0.0029 174 LEU A CD2 +1874 N N A GLY A 175 ? 0.5629 0.5015 0.5104 -0.0211 -0.0102 0.0070 175 GLY A N +1875 N N B GLY A 175 ? 0.5628 0.5014 0.5104 -0.0211 -0.0102 0.0070 175 GLY A N +1876 C CA A GLY A 175 ? 0.5715 0.5089 0.5177 -0.0222 -0.0112 0.0080 175 GLY A CA +1877 C CA B GLY A 175 ? 0.5708 0.5083 0.5171 -0.0222 -0.0112 0.0080 175 GLY A CA +1878 C C A GLY A 175 ? 0.6182 0.5525 0.5619 -0.0221 -0.0122 0.0086 175 GLY A C +1879 C C B GLY A 175 ? 0.6208 0.5552 0.5646 -0.0221 -0.0122 0.0086 175 GLY A C +1880 O O A GLY A 175 ? 0.5517 0.4842 0.4941 -0.0213 -0.0121 0.0082 175 GLY A O +1881 O O B GLY A 175 ? 0.5509 0.4834 0.4933 -0.0213 -0.0121 0.0082 175 GLY A O +1882 N N A ILE A 176 ? 0.5881 0.5218 0.5312 -0.0228 -0.0132 0.0095 176 ILE A N +1883 N N B ILE A 176 ? 0.5880 0.5218 0.5312 -0.0228 -0.0132 0.0095 176 ILE A N +1884 C CA A ILE A 176 ? 0.5610 0.4923 0.5023 -0.0229 -0.0143 0.0100 176 ILE A CA +1885 C CA B ILE A 176 ? 0.5606 0.4919 0.5020 -0.0229 -0.0143 0.0100 176 ILE A CA +1886 C C A ILE A 176 ? 0.5856 0.5146 0.5243 -0.0235 -0.0140 0.0099 176 ILE A C +1887 C C B ILE A 176 ? 0.5868 0.5159 0.5256 -0.0235 -0.0139 0.0099 176 ILE A C +1888 O O A ILE A 176 ? 0.6174 0.5444 0.5546 -0.0231 -0.0142 0.0096 176 ILE A O +1889 O O B ILE A 176 ? 0.6189 0.5460 0.5562 -0.0231 -0.0141 0.0096 176 ILE A O +1890 C CB A ILE A 176 ? 0.6072 0.5389 0.5489 -0.0234 -0.0153 0.0109 176 ILE A CB +1891 C CB B ILE A 176 ? 0.6068 0.5385 0.5485 -0.0235 -0.0153 0.0109 176 ILE A CB +1892 C CG1 A ILE A 176 ? 0.5305 0.4633 0.4740 -0.0225 -0.0160 0.0110 176 ILE A CG1 +1893 C CG1 B ILE A 176 ? 0.5314 0.4645 0.4751 -0.0225 -0.0159 0.0110 176 ILE A CG1 +1894 C CG2 A ILE A 176 ? 0.5486 0.4781 0.4885 -0.0240 -0.0161 0.0115 176 ILE A CG2 +1895 C CG2 B ILE A 176 ? 0.5492 0.4786 0.4891 -0.0240 -0.0161 0.0115 176 ILE A CG2 +1896 C CD1 A ILE A 176 ? 0.5544 0.4885 0.4989 -0.0229 -0.0166 0.0117 176 ILE A CD1 +1897 C CD1 B ILE A 176 ? 0.5529 0.4869 0.4973 -0.0230 -0.0167 0.0118 176 ILE A CD1 +1898 N N A SER A 177 ? 0.5510 0.4803 0.4889 -0.0245 -0.0135 0.0101 177 SER A N +1899 N N B SER A 177 ? 0.5503 0.4797 0.4883 -0.0244 -0.0135 0.0101 177 SER A N +1900 C CA A SER A 177 ? 0.5625 0.4897 0.4976 -0.0249 -0.0133 0.0100 177 SER A CA +1901 C CA B SER A 177 ? 0.5631 0.4904 0.4984 -0.0249 -0.0133 0.0100 177 SER A CA +1902 C C A SER A 177 ? 0.5731 0.4996 0.5073 -0.0244 -0.0121 0.0091 177 SER A C +1903 C C B SER A 177 ? 0.5732 0.4998 0.5075 -0.0243 -0.0120 0.0091 177 SER A C +1904 O O A SER A 177 ? 0.6045 0.5287 0.5363 -0.0243 -0.0121 0.0088 177 SER A O +1905 O O B SER A 177 ? 0.6050 0.5293 0.5369 -0.0243 -0.0120 0.0088 177 SER A O +1906 C CB A SER A 177 ? 0.5154 0.4428 0.4496 -0.0258 -0.0132 0.0105 177 SER A CB +1907 C CB B SER A 177 ? 0.5153 0.4427 0.4495 -0.0258 -0.0132 0.0104 177 SER A CB +1908 O OG A SER A 177 ? 0.5831 0.5105 0.5175 -0.0263 -0.0144 0.0112 177 SER A OG +1909 O OG B SER A 177 ? 0.5829 0.5105 0.5175 -0.0262 -0.0144 0.0112 177 SER A OG +1910 N N A GLY A 178 ? 0.5406 0.4691 0.4767 -0.0240 -0.0109 0.0086 178 GLY A N +1911 N N B GLY A 178 ? 0.5384 0.4670 0.4747 -0.0239 -0.0109 0.0086 178 GLY A N +1912 C CA A GLY A 178 ? 0.5247 0.4528 0.4602 -0.0233 -0.0096 0.0077 178 GLY A CA +1913 C CA B GLY A 178 ? 0.5230 0.4513 0.4587 -0.0233 -0.0095 0.0077 178 GLY A CA +1914 C C A GLY A 178 ? 0.5879 0.5145 0.5229 -0.0222 -0.0101 0.0073 178 GLY A C +1915 C C B GLY A 178 ? 0.5886 0.5153 0.5237 -0.0222 -0.0101 0.0072 178 GLY A C +1916 O O A GLY A 178 ? 0.6276 0.5525 0.5607 -0.0218 -0.0094 0.0066 178 GLY A O +1917 O O B GLY A 178 ? 0.6297 0.5545 0.5627 -0.0218 -0.0094 0.0066 178 GLY A O +1918 N N A THR A 179 ? 0.5878 0.5147 0.5242 -0.0217 -0.0113 0.0076 179 THR A N +1919 N N B THR A 179 ? 0.5873 0.5143 0.5239 -0.0216 -0.0112 0.0075 179 THR A N +1920 C CA A THR A 179 ? 0.5943 0.5191 0.5298 -0.0207 -0.0119 0.0073 179 THR A CA +1921 C CA B THR A 179 ? 0.5944 0.5193 0.5301 -0.0206 -0.0119 0.0072 179 THR A CA +1922 C C A THR A 179 ? 0.5129 0.4345 0.4453 -0.0213 -0.0125 0.0074 179 THR A C +1923 C C B THR A 179 ? 0.5098 0.4315 0.4424 -0.0213 -0.0125 0.0073 179 THR A C +1924 O O A THR A 179 ? 0.5924 0.5118 0.5230 -0.0207 -0.0123 0.0067 179 THR A O +1925 O O B THR A 179 ? 0.5916 0.5111 0.5224 -0.0207 -0.0123 0.0067 179 THR A O +1926 C CB A THR A 179 ? 0.6621 0.5873 0.5992 -0.0202 -0.0131 0.0078 179 THR A CB +1927 C CB B THR A 179 ? 0.6645 0.5899 0.6018 -0.0201 -0.0131 0.0078 179 THR A CB +1928 O OG1 A THR A 179 ? 0.6096 0.5377 0.5495 -0.0193 -0.0128 0.0075 179 THR A OG1 +1929 O OG1 B THR A 179 ? 0.6110 0.5393 0.5511 -0.0192 -0.0127 0.0075 179 THR A OG1 +1930 C CG2 A THR A 179 ? 0.5571 0.4794 0.4927 -0.0193 -0.0138 0.0076 179 THR A CG2 +1931 C CG2 B THR A 179 ? 0.5570 0.4794 0.4928 -0.0193 -0.0138 0.0076 179 THR A CG2 +1932 N N A PHE A 180 ? 0.6137 0.5351 0.5456 -0.0225 -0.0134 0.0081 180 PHE A N +1933 N N B PHE A 180 ? 0.6148 0.5363 0.5468 -0.0225 -0.0134 0.0081 180 PHE A N +1934 C CA A PHE A 180 ? 0.5811 0.5000 0.5104 -0.0232 -0.0142 0.0081 180 PHE A CA +1935 C CA B PHE A 180 ? 0.5819 0.5008 0.5112 -0.0232 -0.0141 0.0081 180 PHE A CA +1936 C C A PHE A 180 ? 0.6652 0.5827 0.5919 -0.0232 -0.0133 0.0074 180 PHE A C +1937 C C B PHE A 180 ? 0.6678 0.5854 0.5947 -0.0232 -0.0132 0.0074 180 PHE A C +1938 O O A PHE A 180 ? 0.6465 0.5614 0.5709 -0.0231 -0.0136 0.0069 180 PHE A O +1939 O O B PHE A 180 ? 0.6481 0.5631 0.5727 -0.0231 -0.0135 0.0068 180 PHE A O +1940 C CB A PHE A 180 ? 0.5896 0.5092 0.5192 -0.0244 -0.0151 0.0089 180 PHE A CB +1941 C CB B PHE A 180 ? 0.5906 0.5103 0.5202 -0.0243 -0.0151 0.0089 180 PHE A CB +1942 C CG A PHE A 180 ? 0.5961 0.5170 0.5279 -0.0244 -0.0159 0.0097 180 PHE A CG +1943 C CG B PHE A 180 ? 0.5969 0.5178 0.5287 -0.0244 -0.0159 0.0097 180 PHE A CG +1944 C CD1 A PHE A 180 ? 0.6326 0.5527 0.5650 -0.0237 -0.0162 0.0096 180 PHE A CD1 +1945 C CD1 B PHE A 180 ? 0.6344 0.5544 0.5668 -0.0237 -0.0162 0.0096 180 PHE A CD1 +1946 C CD2 A PHE A 180 ? 0.5371 0.4597 0.4699 -0.0251 -0.0163 0.0104 180 PHE A CD2 +1947 C CD2 B PHE A 180 ? 0.5357 0.4583 0.4685 -0.0251 -0.0163 0.0104 180 PHE A CD2 +1948 C CE1 A PHE A 180 ? 0.5773 0.4981 0.5112 -0.0237 -0.0168 0.0103 180 PHE A CE1 +1949 C CE1 B PHE A 180 ? 0.5772 0.4979 0.5110 -0.0237 -0.0169 0.0103 180 PHE A CE1 +1950 C CE2 A PHE A 180 ? 0.5972 0.5207 0.5317 -0.0251 -0.0169 0.0111 180 PHE A CE2 +1951 C CE2 B PHE A 180 ? 0.5976 0.5211 0.5321 -0.0252 -0.0169 0.0111 180 PHE A CE2 +1952 C CZ A PHE A 180 ? 0.5634 0.4860 0.4984 -0.0244 -0.0172 0.0111 180 PHE A CZ +1953 C CZ B PHE A 180 ? 0.5627 0.4852 0.4976 -0.0245 -0.0172 0.0111 180 PHE A CZ +1954 N N A ASN A 181 ? 0.6007 0.5197 0.5277 -0.0233 -0.0121 0.0074 181 ASN A N +1955 N N B ASN A 181 ? 0.6010 0.5202 0.5282 -0.0233 -0.0121 0.0074 181 ASN A N +1956 C CA A ASN A 181 ? 0.6290 0.5467 0.5535 -0.0233 -0.0109 0.0068 181 ASN A CA +1957 C CA B ASN A 181 ? 0.6301 0.5478 0.5546 -0.0233 -0.0109 0.0068 181 ASN A CA +1958 C C A ASN A 181 ? 0.6194 0.5357 0.5431 -0.0221 -0.0101 0.0058 181 ASN A C +1959 C C B ASN A 181 ? 0.6198 0.5362 0.5436 -0.0221 -0.0101 0.0058 181 ASN A C +1960 O O A ASN A 181 ? 0.6379 0.5516 0.5585 -0.0220 -0.0100 0.0052 181 ASN A O +1961 O O B ASN A 181 ? 0.6391 0.5529 0.5599 -0.0220 -0.0101 0.0052 181 ASN A O +1962 C CB A ASN A 181 ? 0.5999 0.5195 0.5252 -0.0236 -0.0095 0.0069 181 ASN A CB +1963 C CB B ASN A 181 ? 0.5993 0.5190 0.5246 -0.0236 -0.0095 0.0069 181 ASN A CB +1964 C CG A ASN A 181 ? 0.6523 0.5701 0.5744 -0.0237 -0.0081 0.0064 181 ASN A CG +1965 C CG B ASN A 181 ? 0.6542 0.5720 0.5764 -0.0237 -0.0081 0.0064 181 ASN A CG +1966 O OD1 A ASN A 181 ? 0.5930 0.5110 0.5151 -0.0231 -0.0066 0.0057 181 ASN A OD1 +1967 O OD1 B ASN A 181 ? 0.5929 0.5110 0.5152 -0.0231 -0.0065 0.0057 181 ASN A OD1 +1968 N ND2 A ASN A 181 ? 0.5994 0.5154 0.5187 -0.0243 -0.0088 0.0068 181 ASN A ND2 +1969 N ND2 B ASN A 181 ? 0.5999 0.5160 0.5193 -0.0243 -0.0088 0.0068 181 ASN A ND2 +1970 N N A PHE A 182 ? 0.5952 0.5133 0.5215 -0.0212 -0.0095 0.0055 182 PHE A N +1971 N N B PHE A 182 ? 0.5941 0.5124 0.5206 -0.0212 -0.0096 0.0056 182 PHE A N +1972 C CA A PHE A 182 ? 0.5787 0.4958 0.5046 -0.0199 -0.0088 0.0046 182 PHE A CA +1973 C CA B PHE A 182 ? 0.5813 0.4985 0.5074 -0.0199 -0.0089 0.0046 182 PHE A CA +1974 C C A PHE A 182 ? 0.6226 0.5363 0.5462 -0.0197 -0.0101 0.0044 182 PHE A C +1975 C C B PHE A 182 ? 0.6240 0.5378 0.5478 -0.0197 -0.0102 0.0044 182 PHE A C +1976 O O A PHE A 182 ? 0.6358 0.5472 0.5570 -0.0190 -0.0096 0.0036 182 PHE A O +1977 O O B PHE A 182 ? 0.6369 0.5484 0.5583 -0.0190 -0.0096 0.0036 182 PHE A O +1978 C CB A PHE A 182 ? 0.6301 0.5500 0.5596 -0.0189 -0.0085 0.0045 182 PHE A CB +1979 C CB B PHE A 182 ? 0.6270 0.5469 0.5566 -0.0188 -0.0086 0.0045 182 PHE A CB +1980 C CG A PHE A 182 ? 0.5937 0.5128 0.5231 -0.0172 -0.0078 0.0035 182 PHE A CG +1981 C CG B PHE A 182 ? 0.5926 0.5118 0.5222 -0.0172 -0.0079 0.0036 182 PHE A CG +1982 C CD1 A PHE A 182 ? 0.6069 0.5270 0.5364 -0.0165 -0.0060 0.0026 182 PHE A CD1 +1983 C CD1 B PHE A 182 ? 0.6079 0.5280 0.5375 -0.0165 -0.0060 0.0027 182 PHE A CD1 +1984 C CD2 A PHE A 182 ? 0.5844 0.5019 0.5138 -0.0162 -0.0091 0.0035 182 PHE A CD2 +1985 C CD2 B PHE A 182 ? 0.5855 0.5031 0.5151 -0.0162 -0.0091 0.0035 182 PHE A CD2 +1986 C CE1 A PHE A 182 ? 0.6332 0.5528 0.5628 -0.0147 -0.0054 0.0017 182 PHE A CE1 +1987 C CE1 B PHE A 182 ? 0.6339 0.5536 0.5637 -0.0148 -0.0054 0.0017 182 PHE A CE1 +1988 C CE2 A PHE A 182 ? 0.6053 0.5219 0.5346 -0.0145 -0.0086 0.0027 182 PHE A CE2 +1989 C CE2 B PHE A 182 ? 0.6060 0.5228 0.5355 -0.0144 -0.0085 0.0026 182 PHE A CE2 +1990 C CZ A PHE A 182 ? 0.6264 0.5441 0.5559 -0.0136 -0.0067 0.0017 182 PHE A CZ +1991 C CZ B PHE A 182 ? 0.6260 0.5440 0.5557 -0.0136 -0.0067 0.0017 182 PHE A CZ +1992 N N A MET A 183 ? 0.5699 0.4833 0.4943 -0.0203 -0.0117 0.0051 183 MET A N +1993 N N B MET A 183 ? 0.5676 0.4810 0.4920 -0.0203 -0.0117 0.0051 183 MET A N +1994 C CA A MET A 183 ? 0.6197 0.5299 0.5423 -0.0203 -0.0129 0.0049 183 MET A CA +1995 C CA B MET A 183 ? 0.6213 0.5314 0.5438 -0.0203 -0.0129 0.0049 183 MET A CA +1996 C C A MET A 183 ? 0.5718 0.4796 0.4911 -0.0212 -0.0133 0.0046 183 MET A C +1997 C C B MET A 183 ? 0.5711 0.4788 0.4903 -0.0211 -0.0133 0.0046 183 MET A C +1998 O O A MET A 183 ? 0.6092 0.5139 0.5260 -0.0208 -0.0136 0.0038 183 MET A O +1999 O O B MET A 183 ? 0.6098 0.5145 0.5267 -0.0208 -0.0136 0.0038 183 MET A O +2000 C CB A MET A 183 ? 0.5922 0.5028 0.5163 -0.0210 -0.0143 0.0058 183 MET A CB +2001 C CB B MET A 183 ? 0.5923 0.5028 0.5163 -0.0209 -0.0143 0.0058 183 MET A CB +2002 C CG A MET A 183 ? 0.5977 0.5101 0.5245 -0.0200 -0.0142 0.0061 183 MET A CG +2003 C CG B MET A 183 ? 0.5987 0.5111 0.5255 -0.0200 -0.0142 0.0062 183 MET A CG +2004 S SD A MET A 183 ? 0.6182 0.5309 0.5463 -0.0209 -0.0156 0.0073 183 MET A SD +2005 S SD B MET A 183 ? 0.6182 0.5310 0.5464 -0.0209 -0.0156 0.0073 183 MET A SD +2006 C CE A MET A 183 ? 0.5194 0.4278 0.4454 -0.0207 -0.0164 0.0070 183 MET A CE +2007 C CE B MET A 183 ? 0.5187 0.4271 0.4447 -0.0207 -0.0164 0.0071 183 MET A CE +2008 N N A ILE A 184 ? 0.5886 0.4975 0.5076 -0.0222 -0.0136 0.0050 184 ILE A N +2009 N N B ILE A 184 ? 0.5875 0.4964 0.5065 -0.0222 -0.0135 0.0050 184 ILE A N +2010 C CA A ILE A 184 ? 0.6168 0.5236 0.5327 -0.0230 -0.0143 0.0047 184 ILE A CA +2011 C CA B ILE A 184 ? 0.6172 0.5240 0.5331 -0.0229 -0.0142 0.0047 184 ILE A CA +2012 C C A ILE A 184 ? 0.6257 0.5306 0.5387 -0.0222 -0.0131 0.0038 184 ILE A C +2013 C C B ILE A 184 ? 0.6268 0.5317 0.5398 -0.0222 -0.0130 0.0038 184 ILE A C +2014 O O A ILE A 184 ? 0.6380 0.5399 0.5480 -0.0222 -0.0136 0.0031 184 ILE A O +2015 O O B ILE A 184 ? 0.6389 0.5409 0.5490 -0.0222 -0.0136 0.0031 184 ILE A O +2016 C CB A ILE A 184 ? 0.5994 0.5079 0.5157 -0.0240 -0.0148 0.0055 184 ILE A CB +2017 C CB B ILE A 184 ? 0.5988 0.5073 0.5151 -0.0239 -0.0147 0.0055 184 ILE A CB +2018 C CG1 A ILE A 184 ? 0.5831 0.4931 0.5020 -0.0247 -0.0161 0.0064 184 ILE A CG1 +2019 C CG1 B ILE A 184 ? 0.5830 0.4930 0.5019 -0.0247 -0.0160 0.0064 184 ILE A CG1 +2020 C CG2 A ILE A 184 ? 0.6043 0.5108 0.5173 -0.0245 -0.0155 0.0051 184 ILE A CG2 +2021 C CG2 B ILE A 184 ? 0.6046 0.5111 0.5176 -0.0244 -0.0155 0.0051 184 ILE A CG2 +2022 C CD1 A ILE A 184 ? 0.6254 0.5378 0.5455 -0.0254 -0.0162 0.0073 184 ILE A CD1 +2023 C CD1 B ILE A 184 ? 0.6276 0.5399 0.5476 -0.0254 -0.0162 0.0072 184 ILE A CD1 +2024 N N A VAL A 185 ? 0.6143 0.5208 0.5280 -0.0216 -0.0113 0.0037 185 VAL A N +2025 N N B VAL A 185 ? 0.6160 0.5225 0.5297 -0.0216 -0.0112 0.0037 185 VAL A N +2026 C CA A VAL A 185 ? 0.5881 0.4931 0.4992 -0.0209 -0.0098 0.0029 185 VAL A CA +2027 C CA B VAL A 185 ? 0.5886 0.4935 0.4996 -0.0208 -0.0097 0.0028 185 VAL A CA +2028 C C A VAL A 185 ? 0.6113 0.5144 0.5217 -0.0197 -0.0095 0.0019 185 VAL A C +2029 C C B VAL A 185 ? 0.6116 0.5147 0.5220 -0.0196 -0.0095 0.0019 185 VAL A C +2030 O O A VAL A 185 ? 0.5930 0.4932 0.5000 -0.0192 -0.0091 0.0011 185 VAL A O +2031 O O B VAL A 185 ? 0.5915 0.4918 0.4985 -0.0191 -0.0090 0.0010 185 VAL A O +2032 C CB A VAL A 185 ? 0.6163 0.5238 0.5287 -0.0207 -0.0078 0.0030 185 VAL A CB +2033 C CB B VAL A 185 ? 0.6168 0.5243 0.5292 -0.0207 -0.0077 0.0030 185 VAL A CB +2034 C CG1 A VAL A 185 ? 0.5629 0.4688 0.4726 -0.0199 -0.0059 0.0021 185 VAL A CG1 +2035 C CG1 B VAL A 185 ? 0.5610 0.4671 0.4709 -0.0198 -0.0058 0.0021 185 VAL A CG1 +2036 C CG2 A VAL A 185 ? 0.5643 0.4729 0.4766 -0.0218 -0.0080 0.0039 185 VAL A CG2 +2037 C CG2 B VAL A 185 ? 0.5636 0.4721 0.4757 -0.0218 -0.0080 0.0039 185 VAL A CG2 +2038 N N A PHE A 186 ? 0.5772 0.4815 0.4905 -0.0190 -0.0098 0.0021 186 PHE A N +2039 N N B PHE A 186 ? 0.5769 0.4812 0.4901 -0.0190 -0.0097 0.0021 186 PHE A N +2040 C CA A PHE A 186 ? 0.5750 0.4771 0.4875 -0.0177 -0.0097 0.0013 186 PHE A CA +2041 C CA B PHE A 186 ? 0.5737 0.4759 0.4862 -0.0177 -0.0096 0.0013 186 PHE A CA +2042 C C A PHE A 186 ? 0.6125 0.5106 0.5218 -0.0183 -0.0111 0.0009 186 PHE A C +2043 C C B PHE A 186 ? 0.6128 0.5110 0.5222 -0.0183 -0.0111 0.0009 186 PHE A C +2044 O O A PHE A 186 ? 0.6451 0.5403 0.5517 -0.0174 -0.0107 -0.0001 186 PHE A O +2045 O O B PHE A 186 ? 0.6476 0.5428 0.5541 -0.0175 -0.0107 -0.0002 186 PHE A O +2046 C CB A PHE A 186 ? 0.5931 0.4969 0.5090 -0.0170 -0.0100 0.0017 186 PHE A CB +2047 C CB B PHE A 186 ? 0.5942 0.4981 0.5101 -0.0170 -0.0100 0.0017 186 PHE A CB +2048 C CG A PHE A 186 ? 0.5904 0.4936 0.5065 -0.0151 -0.0091 0.0008 186 PHE A CG +2049 C CG B PHE A 186 ? 0.5906 0.4938 0.5067 -0.0151 -0.0091 0.0008 186 PHE A CG +2050 C CD1 A PHE A 186 ? 0.5805 0.4798 0.4941 -0.0144 -0.0097 0.0001 186 PHE A CD1 +2051 C CD1 B PHE A 186 ? 0.5799 0.4792 0.4936 -0.0144 -0.0097 0.0002 186 PHE A CD1 +2052 C CD2 A PHE A 186 ? 0.6052 0.5117 0.5240 -0.0140 -0.0075 0.0005 186 PHE A CD2 +2053 C CD2 B PHE A 186 ? 0.6064 0.5128 0.5251 -0.0139 -0.0075 0.0005 186 PHE A CD2 +2054 C CE1 A PHE A 186 ? 0.5664 0.4649 0.4800 -0.0123 -0.0088 -0.0007 186 PHE A CE1 +2055 C CE1 B PHE A 186 ? 0.5656 0.4641 0.4792 -0.0123 -0.0089 -0.0007 186 PHE A CE1 +2056 C CE2 A PHE A 186 ? 0.6031 0.5094 0.5223 -0.0120 -0.0066 -0.0004 186 PHE A CE2 +2057 C CE2 B PHE A 186 ? 0.6049 0.5111 0.5241 -0.0120 -0.0067 -0.0004 186 PHE A CE2 +2058 C CZ A PHE A 186 ? 0.5835 0.4857 0.5001 -0.0110 -0.0073 -0.0010 186 PHE A CZ +2059 C CZ B PHE A 186 ? 0.5829 0.4850 0.4995 -0.0110 -0.0074 -0.0009 186 PHE A CZ +2060 N N A GLN A 187 ? 0.6139 0.5120 0.5236 -0.0197 -0.0128 0.0015 187 GLN A N +2061 N N B GLN A 187 ? 0.6151 0.5133 0.5249 -0.0197 -0.0128 0.0015 187 GLN A N +2062 C CA A GLN A 187 ? 0.5903 0.4851 0.4973 -0.0205 -0.0143 0.0011 187 GLN A CA +2063 C CA B GLN A 187 ? 0.5896 0.4844 0.4967 -0.0205 -0.0143 0.0011 187 GLN A CA +2064 C C A GLN A 187 ? 0.5969 0.4895 0.5001 -0.0206 -0.0142 0.0003 187 GLN A C +2065 C C B GLN A 187 ? 0.5961 0.4889 0.4994 -0.0206 -0.0141 0.0003 187 GLN A C +2066 O O A GLN A 187 ? 0.6041 0.4933 0.5044 -0.0204 -0.0145 -0.0007 187 GLN A O +2067 O O B GLN A 187 ? 0.6027 0.4920 0.5030 -0.0205 -0.0146 -0.0006 187 GLN A O +2068 C CB A GLN A 187 ? 0.5993 0.4952 0.5081 -0.0221 -0.0160 0.0020 187 GLN A CB +2069 C CB B GLN A 187 ? 0.5993 0.4952 0.5080 -0.0221 -0.0160 0.0020 187 GLN A CB +2070 C CG A GLN A 187 ? 0.5856 0.4789 0.4921 -0.0233 -0.0176 0.0015 187 GLN A CG +2071 C CG B GLN A 187 ? 0.5855 0.4788 0.4920 -0.0234 -0.0176 0.0015 187 GLN A CG +2072 C CD A GLN A 187 ? 0.6486 0.5382 0.5536 -0.0231 -0.0180 0.0008 187 GLN A CD +2073 C CD B GLN A 187 ? 0.6498 0.5394 0.5547 -0.0231 -0.0180 0.0007 187 GLN A CD +2074 O OE1 A GLN A 187 ? 0.6051 0.4942 0.5111 -0.0220 -0.0174 0.0008 187 GLN A OE1 +2075 O OE1 B GLN A 187 ? 0.6065 0.4955 0.5122 -0.0220 -0.0173 0.0007 187 GLN A OE1 +2076 N NE2 A GLN A 187 ? 0.5956 0.4824 0.4979 -0.0240 -0.0192 0.0000 187 GLN A NE2 +2077 N NE2 B GLN A 187 ? 0.5941 0.4810 0.4964 -0.0241 -0.0193 0.0000 187 GLN A NE2 +2078 N N A ALA A 188 ? 0.6643 0.5588 0.5673 -0.0209 -0.0135 0.0007 188 ALA A N +2079 N N B ALA A 188 ? 0.6657 0.5603 0.5688 -0.0209 -0.0134 0.0007 188 ALA A N +2080 C CA A ALA A 188 ? 0.6371 0.5294 0.5360 -0.0209 -0.0133 0.0000 188 ALA A CA +2081 C CA B ALA A 188 ? 0.6355 0.5280 0.5346 -0.0209 -0.0133 0.0000 188 ALA A CA +2082 C C A ALA A 188 ? 0.7371 0.6272 0.6336 -0.0195 -0.0117 -0.0011 188 ALA A C +2083 C C B ALA A 188 ? 0.7406 0.6308 0.6371 -0.0195 -0.0117 -0.0011 188 ALA A C +2084 O O A ALA A 188 ? 0.6803 0.5671 0.5728 -0.0194 -0.0120 -0.0020 188 ALA A O +2085 O O B ALA A 188 ? 0.6809 0.5678 0.5735 -0.0194 -0.0120 -0.0020 188 ALA A O +2086 C CB A ALA A 188 ? 0.6453 0.5396 0.5442 -0.0214 -0.0128 0.0007 188 ALA A CB +2087 C CB B ALA A 188 ? 0.6459 0.5404 0.5449 -0.0213 -0.0126 0.0007 188 ALA A CB +2088 N N A GLU A 189 ? 0.6472 0.5391 0.5460 -0.0184 -0.0100 -0.0011 189 GLU A N +2089 N N B GLU A 189 ? 0.6478 0.5398 0.5466 -0.0184 -0.0100 -0.0011 189 GLU A N +2090 C CA A GLU A 189 ? 0.6156 0.5062 0.5124 -0.0170 -0.0081 -0.0021 189 GLU A CA +2091 C CA B GLU A 189 ? 0.6142 0.5048 0.5110 -0.0170 -0.0081 -0.0021 189 GLU A CA +2092 C C A GLU A 189 ? 0.6551 0.5435 0.5516 -0.0157 -0.0082 -0.0029 189 GLU A C +2093 C C B GLU A 189 ? 0.6552 0.5436 0.5517 -0.0157 -0.0082 -0.0029 189 GLU A C +2094 O O A GLU A 189 ? 0.6607 0.5473 0.5549 -0.0145 -0.0068 -0.0039 189 GLU A O +2095 O O B GLU A 189 ? 0.6611 0.5477 0.5553 -0.0145 -0.0068 -0.0039 189 GLU A O +2096 C CB A GLU A 189 ? 0.6444 0.5387 0.5439 -0.0165 -0.0059 -0.0017 189 GLU A CB +2097 C CB B GLU A 189 ? 0.6443 0.5385 0.5437 -0.0164 -0.0059 -0.0017 189 GLU A CB +2098 C CG A GLU A 189 ? 0.6600 0.5552 0.5584 -0.0175 -0.0054 -0.0011 189 GLU A CG +2099 C CG B GLU A 189 ? 0.6596 0.5550 0.5583 -0.0175 -0.0054 -0.0010 189 GLU A CG +2100 C CD A GLU A 189 ? 0.6618 0.5606 0.5630 -0.0174 -0.0033 -0.0007 189 GLU A CD +2101 C CD B GLU A 189 ? 0.6666 0.5653 0.5677 -0.0173 -0.0032 -0.0008 189 GLU A CD +2102 O OE1 A GLU A 189 ? 0.7146 0.6158 0.6192 -0.0166 -0.0024 -0.0009 189 GLU A OE1 +2103 O OE1 B GLU A 189 ? 0.7861 0.6866 0.6899 -0.0162 -0.0020 -0.0012 189 GLU A OE1 +2104 O OE2 A GLU A 189 ? 0.6780 0.5772 0.5779 -0.0182 -0.0026 -0.0002 189 GLU A OE2 +2105 O OE2 B GLU A 189 ? 0.6760 0.5755 0.5764 -0.0182 -0.0026 -0.0002 189 GLU A OE2 +2106 N N A HIS A 190 ? 0.6497 0.5380 0.5482 -0.0160 -0.0097 -0.0025 190 HIS A N +2107 N N B HIS A 190 ? 0.6504 0.5387 0.5490 -0.0161 -0.0097 -0.0025 190 HIS A N +2108 C CA A HIS A 190 ? 0.6320 0.5177 0.5299 -0.0148 -0.0098 -0.0032 190 HIS A CA +2109 C CA B HIS A 190 ? 0.6323 0.5180 0.5303 -0.0149 -0.0098 -0.0032 190 HIS A CA +2110 C C A HIS A 190 ? 0.6509 0.5337 0.5479 -0.0159 -0.0119 -0.0032 190 HIS A C +2111 C C B HIS A 190 ? 0.6521 0.5349 0.5491 -0.0159 -0.0119 -0.0031 190 HIS A C +2112 O O A HIS A 190 ? 0.6825 0.5623 0.5783 -0.0150 -0.0122 -0.0038 190 HIS A O +2113 O O B HIS A 190 ? 0.6842 0.5640 0.5800 -0.0151 -0.0122 -0.0038 190 HIS A O +2114 C CB A HIS A 190 ? 0.6185 0.5071 0.5203 -0.0135 -0.0089 -0.0029 190 HIS A CB +2115 C CB B HIS A 190 ? 0.6173 0.5060 0.5192 -0.0135 -0.0089 -0.0028 190 HIS A CB +2116 C CG A HIS A 190 ? 0.6560 0.5480 0.5596 -0.0126 -0.0068 -0.0030 190 HIS A CG +2117 C CG B HIS A 190 ? 0.6569 0.5490 0.5605 -0.0126 -0.0067 -0.0030 190 HIS A CG +2118 N ND1 A HIS A 190 ? 0.6914 0.5826 0.5934 -0.0111 -0.0049 -0.0041 190 HIS A ND1 +2119 N ND1 B HIS A 190 ? 0.6938 0.5848 0.5954 -0.0111 -0.0049 -0.0041 190 HIS A ND1 +2120 C CD2 A HIS A 190 ? 0.6286 0.5249 0.5354 -0.0132 -0.0061 -0.0022 190 HIS A CD2 +2121 C CD2 B HIS A 190 ? 0.6286 0.5249 0.5354 -0.0131 -0.0059 -0.0022 190 HIS A CD2 +2122 C CE1 A HIS A 190 ? 0.6780 0.5729 0.5823 -0.0108 -0.0031 -0.0039 190 HIS A CE1 +2123 C CE1 B HIS A 190 ? 0.6784 0.5730 0.5823 -0.0108 -0.0031 -0.0040 190 HIS A CE1 +2124 N NE2 A HIS A 190 ? 0.7249 0.6228 0.6321 -0.0121 -0.0038 -0.0028 190 HIS A NE2 +2125 N NE2 B HIS A 190 ? 0.7300 0.6278 0.6370 -0.0120 -0.0037 -0.0029 190 HIS A NE2 +2126 N N A ASN A 191 ? 0.6394 0.5229 0.5368 -0.0178 -0.0134 -0.0025 191 ASN A N +2127 N N B ASN A 191 ? 0.6390 0.5227 0.5366 -0.0178 -0.0134 -0.0024 191 ASN A N +2128 C CA A ASN A 191 ? 0.6178 0.4993 0.5150 -0.0191 -0.0154 -0.0024 191 ASN A CA +2129 C CA B ASN A 191 ? 0.6162 0.4977 0.5134 -0.0191 -0.0154 -0.0023 191 ASN A CA +2130 C C A ASN A 191 ? 0.6601 0.5412 0.5594 -0.0185 -0.0154 -0.0020 191 ASN A C +2131 C C B ASN A 191 ? 0.6621 0.5432 0.5614 -0.0185 -0.0155 -0.0019 191 ASN A C +2132 O O A ASN A 191 ? 0.6773 0.5546 0.5748 -0.0184 -0.0161 -0.0025 191 ASN A O +2133 O O B ASN A 191 ? 0.6779 0.5553 0.5754 -0.0185 -0.0162 -0.0025 191 ASN A O +2134 C CB A ASN A 191 ? 0.6025 0.4795 0.4953 -0.0195 -0.0162 -0.0036 191 ASN A CB +2135 C CB B ASN A 191 ? 0.6010 0.4781 0.4938 -0.0195 -0.0162 -0.0036 191 ASN A CB +2136 C CG A ASN A 191 ? 0.7146 0.5903 0.6072 -0.0215 -0.0183 -0.0035 191 ASN A CG +2137 C CG B ASN A 191 ? 0.7169 0.5926 0.6095 -0.0215 -0.0183 -0.0035 191 ASN A CG +2138 O OD1 A ASN A 191 ? 0.7095 0.5877 0.6053 -0.0226 -0.0190 -0.0025 191 ASN A OD1 +2139 O OD1 B ASN A 191 ? 0.7133 0.5913 0.6090 -0.0226 -0.0190 -0.0025 191 ASN A OD1 +2140 N ND2 A ASN A 191 ? 0.6802 0.5524 0.5693 -0.0221 -0.0193 -0.0046 191 ASN A ND2 +2141 N ND2 B ASN A 191 ? 0.6806 0.5527 0.5696 -0.0220 -0.0192 -0.0047 191 ASN A ND2 +2142 N N A ILE A 192 ? 0.6642 0.5490 0.5670 -0.0180 -0.0148 -0.0010 192 ILE A N +2143 N N B ILE A 192 ? 0.6657 0.5506 0.5686 -0.0180 -0.0149 -0.0010 192 ILE A N +2144 C CA A ILE A 192 ? 0.6198 0.5045 0.5245 -0.0170 -0.0148 -0.0006 192 ILE A CA +2145 C CA B ILE A 192 ? 0.6188 0.5035 0.5236 -0.0170 -0.0148 -0.0006 192 ILE A CA +2146 C C A ILE A 192 ? 0.6879 0.5701 0.5923 -0.0183 -0.0163 -0.0002 192 ILE A C +2147 C C B ILE A 192 ? 0.6904 0.5726 0.5949 -0.0183 -0.0163 -0.0002 192 ILE A C +2148 O O A ILE A 192 ? 0.6099 0.4896 0.5139 -0.0175 -0.0165 -0.0003 192 ILE A O +2149 O O B ILE A 192 ? 0.6078 0.4874 0.5117 -0.0175 -0.0165 -0.0003 192 ILE A O +2150 C CB A ILE A 192 ? 0.7409 0.6304 0.6496 -0.0164 -0.0140 0.0003 192 ILE A CB +2151 C CB B ILE A 192 ? 0.7452 0.6347 0.6539 -0.0164 -0.0140 0.0003 192 ILE A CB +2152 C CG1 A ILE A 192 ? 0.6255 0.5149 0.5360 -0.0154 -0.0143 0.0008 192 ILE A CG1 +2153 C CG1 B ILE A 192 ? 0.6257 0.5150 0.5362 -0.0153 -0.0142 0.0008 192 ILE A CG1 +2154 C CG2 A ILE A 192 ? 0.5549 0.4474 0.4653 -0.0182 -0.0146 0.0013 192 ILE A CG2 +2155 C CG2 B ILE A 192 ? 0.5518 0.4443 0.4623 -0.0183 -0.0147 0.0013 192 ILE A CG2 +2156 C CD1 A ILE A 192 ? 0.6059 0.4999 0.5202 -0.0144 -0.0135 0.0014 192 ILE A CD1 +2157 C CD1 B ILE A 192 ? 0.6065 0.5004 0.5207 -0.0143 -0.0135 0.0014 192 ILE A CD1 +2158 N N A LEU A 193 ? 0.6276 0.5105 0.5323 -0.0204 -0.0175 0.0002 193 LEU A N +2159 N N B LEU A 193 ? 0.6277 0.5107 0.5325 -0.0204 -0.0175 0.0003 193 LEU A N +2160 C CA A LEU A 193 ? 0.6408 0.5217 0.5455 -0.0219 -0.0188 0.0006 193 LEU A CA +2161 C CA B LEU A 193 ? 0.6410 0.5219 0.5457 -0.0219 -0.0188 0.0006 193 LEU A CA +2162 C C A LEU A 193 ? 0.7176 0.5931 0.6188 -0.0218 -0.0192 -0.0005 193 LEU A C +2163 C C B LEU A 193 ? 0.7199 0.5954 0.6211 -0.0218 -0.0191 -0.0005 193 LEU A C +2164 O O A LEU A 193 ? 0.6577 0.5306 0.5586 -0.0223 -0.0197 -0.0002 193 LEU A O +2165 O O B LEU A 193 ? 0.6570 0.5298 0.5578 -0.0222 -0.0196 -0.0002 193 LEU A O +2166 C CB A LEU A 193 ? 0.5666 0.4493 0.4722 -0.0241 -0.0199 0.0010 193 LEU A CB +2167 C CB B LEU A 193 ? 0.5648 0.4475 0.4704 -0.0241 -0.0199 0.0010 193 LEU A CB +2168 C CG A LEU A 193 ? 0.6420 0.5295 0.5511 -0.0245 -0.0198 0.0023 193 LEU A CG +2169 C CG B LEU A 193 ? 0.6432 0.5306 0.5522 -0.0244 -0.0197 0.0022 193 LEU A CG +2170 C CD1 A LEU A 193 ? 0.5527 0.4419 0.4624 -0.0263 -0.0208 0.0025 193 LEU A CD1 +2171 C CD1 B LEU A 193 ? 0.5511 0.4404 0.4608 -0.0263 -0.0208 0.0025 193 LEU A CD1 +2172 C CD2 A LEU A 193 ? 0.6137 0.5017 0.5250 -0.0243 -0.0197 0.0033 193 LEU A CD2 +2173 C CD2 B LEU A 193 ? 0.6152 0.5032 0.5264 -0.0242 -0.0196 0.0033 193 LEU A CD2 +2174 N N A MET A 194 ? 0.6813 0.5549 0.5796 -0.0212 -0.0188 -0.0017 194 MET A N +2175 N N B MET A 194 ? 0.6821 0.5559 0.5805 -0.0212 -0.0188 -0.0016 194 MET A N +2176 C CA A MET A 194 ? 0.6718 0.5401 0.5665 -0.0210 -0.0192 -0.0028 194 MET A CA +2177 C CA B MET A 194 ? 0.6715 0.5400 0.5663 -0.0210 -0.0192 -0.0028 194 MET A CA +2178 C C A MET A 194 ? 0.6927 0.5589 0.5862 -0.0184 -0.0179 -0.0033 194 MET A C +2179 C C B MET A 194 ? 0.6944 0.5608 0.5881 -0.0185 -0.0179 -0.0033 194 MET A C +2180 O O A MET A 194 ? 0.6650 0.5268 0.5551 -0.0178 -0.0179 -0.0045 194 MET A O +2181 O O B MET A 194 ? 0.6643 0.5262 0.5546 -0.0179 -0.0179 -0.0044 194 MET A O +2182 C CB A MET A 194 ? 0.6184 0.4854 0.5102 -0.0217 -0.0196 -0.0040 194 MET A CB +2183 C CB B MET A 194 ? 0.6163 0.4835 0.5081 -0.0217 -0.0196 -0.0039 194 MET A CB +2184 C CG A MET A 194 ? 0.6358 0.5043 0.5284 -0.0242 -0.0212 -0.0037 194 MET A CG +2185 C CG B MET A 194 ? 0.6353 0.5039 0.5279 -0.0242 -0.0212 -0.0037 194 MET A CG +2186 S SD A MET A 194 ? 0.7153 0.5802 0.6073 -0.0264 -0.0228 -0.0039 194 MET A SD +2187 S SD B MET A 194 ? 0.7161 0.5810 0.6081 -0.0263 -0.0227 -0.0039 194 MET A SD +2188 C CE A MET A 194 ? 0.6882 0.5474 0.5750 -0.0262 -0.0232 -0.0058 194 MET A CE +2189 C CE B MET A 194 ? 0.6888 0.5479 0.5756 -0.0259 -0.0231 -0.0058 194 MET A CE +2190 N N A HIS A 195 ? 0.6934 0.5627 0.5897 -0.0169 -0.0170 -0.0026 195 HIS A N +2191 N N B HIS A 195 ? 0.6941 0.5636 0.5905 -0.0169 -0.0170 -0.0026 195 HIS A N +2192 C CA A HIS A 195 ? 0.7126 0.5803 0.6082 -0.0143 -0.0159 -0.0031 195 HIS A CA +2193 C CA B HIS A 195 ? 0.7145 0.5824 0.6101 -0.0143 -0.0159 -0.0031 195 HIS A CA +2194 C C A HIS A 195 ? 0.6498 0.5152 0.5457 -0.0139 -0.0165 -0.0025 195 HIS A C +2195 C C B HIS A 195 ? 0.6488 0.5144 0.5449 -0.0139 -0.0164 -0.0024 195 HIS A C +2196 O O A HIS A 195 ? 0.6772 0.5452 0.5760 -0.0146 -0.0169 -0.0012 195 HIS A O +2197 O O B HIS A 195 ? 0.6776 0.5459 0.5765 -0.0145 -0.0168 -0.0012 195 HIS A O +2198 C CB A HIS A 195 ? 0.6659 0.5385 0.5644 -0.0127 -0.0145 -0.0028 195 HIS A CB +2199 C CB B HIS A 195 ? 0.6662 0.5389 0.5647 -0.0127 -0.0145 -0.0028 195 HIS A CB +2200 C CG A HIS A 195 ? 0.6812 0.5528 0.5789 -0.0099 -0.0132 -0.0037 195 HIS A CG +2201 C CG B HIS A 195 ? 0.6817 0.5534 0.5794 -0.0099 -0.0132 -0.0038 195 HIS A CG +2202 N ND1 A HIS A 195 ? 0.7214 0.5915 0.6195 -0.0081 -0.0132 -0.0036 195 HIS A ND1 +2203 N ND1 B HIS A 195 ? 0.7237 0.5936 0.6215 -0.0081 -0.0132 -0.0037 195 HIS A ND1 +2204 C CD2 A HIS A 195 ? 0.6920 0.5642 0.5886 -0.0085 -0.0118 -0.0048 195 HIS A CD2 +2205 C CD2 B HIS A 195 ? 0.6926 0.5647 0.5891 -0.0085 -0.0117 -0.0048 195 HIS A CD2 +2206 C CE1 A HIS A 195 ? 0.7126 0.5824 0.6100 -0.0057 -0.0119 -0.0046 195 HIS A CE1 +2207 C CE1 B HIS A 195 ? 0.7130 0.5826 0.6102 -0.0056 -0.0120 -0.0047 195 HIS A CE1 +2208 N NE2 A HIS A 195 ? 0.6850 0.5562 0.5816 -0.0059 -0.0109 -0.0053 195 HIS A NE2 +2209 N NE2 B HIS A 195 ? 0.6855 0.5565 0.5819 -0.0059 -0.0109 -0.0054 195 HIS A NE2 +2210 N N A PRO A 196 ? 0.6744 0.5349 0.5674 -0.0126 -0.0164 -0.0032 196 PRO A N +2211 N N B PRO A 196 ? 0.6750 0.5356 0.5681 -0.0127 -0.0164 -0.0032 196 PRO A N +2212 C CA A PRO A 196 ? 0.6518 0.5093 0.5445 -0.0123 -0.0170 -0.0025 196 PRO A CA +2213 C CA B PRO A 196 ? 0.6501 0.5078 0.5430 -0.0124 -0.0170 -0.0025 196 PRO A CA +2214 C C A PRO A 196 ? 0.6781 0.5389 0.5739 -0.0104 -0.0166 -0.0016 196 PRO A C +2215 C C B PRO A 196 ? 0.6789 0.5399 0.5749 -0.0105 -0.0165 -0.0016 196 PRO A C +2216 O O A PRO A 196 ? 0.6740 0.5337 0.5704 -0.0108 -0.0172 -0.0006 196 PRO A O +2217 O O B PRO A 196 ? 0.6728 0.5328 0.5694 -0.0108 -0.0172 -0.0006 196 PRO A O +2218 C CB A PRO A 196 ? 0.7260 0.5774 0.6145 -0.0109 -0.0169 -0.0038 196 PRO A CB +2219 C CB B PRO A 196 ? 0.7270 0.5785 0.6157 -0.0110 -0.0169 -0.0037 196 PRO A CB +2220 C CG A PRO A 196 ? 0.6610 0.5130 0.5482 -0.0097 -0.0159 -0.0050 196 PRO A CG +2221 C CG B PRO A 196 ? 0.6605 0.5126 0.5478 -0.0099 -0.0160 -0.0050 196 PRO A CG +2222 C CD A PRO A 196 ? 0.6339 0.4906 0.5231 -0.0116 -0.0160 -0.0048 196 PRO A CD +2223 C CD B PRO A 196 ? 0.6327 0.4893 0.5219 -0.0118 -0.0160 -0.0047 196 PRO A CD +2224 N N A PHE A 197 ? 0.7064 0.5713 0.6043 -0.0085 -0.0155 -0.0019 197 PHE A N +2225 N N B PHE A 197 ? 0.7079 0.5729 0.6059 -0.0085 -0.0154 -0.0019 197 PHE A N +2226 C CA A PHE A 197 ? 0.7151 0.5835 0.6163 -0.0068 -0.0152 -0.0011 197 PHE A CA +2227 C CA B PHE A 197 ? 0.7167 0.5852 0.6180 -0.0068 -0.0152 -0.0011 197 PHE A CA +2228 C C A PHE A 197 ? 0.7050 0.5777 0.6095 -0.0087 -0.0158 0.0002 197 PHE A C +2229 C C B PHE A 197 ? 0.7063 0.5791 0.6109 -0.0087 -0.0157 0.0002 197 PHE A C +2230 O O A PHE A 197 ? 0.6550 0.5287 0.5612 -0.0081 -0.0162 0.0012 197 PHE A O +2231 O O B PHE A 197 ? 0.6542 0.5282 0.5605 -0.0080 -0.0161 0.0011 197 PHE A O +2232 C CB A PHE A 197 ? 0.7256 0.5977 0.6286 -0.0044 -0.0138 -0.0019 197 PHE A CB +2233 C CB B PHE A 197 ? 0.7274 0.5994 0.6303 -0.0044 -0.0138 -0.0020 197 PHE A CB +2234 C CG A PHE A 197 ? 0.7721 0.6407 0.6727 -0.0017 -0.0133 -0.0030 197 PHE A CG +2235 C CG B PHE A 197 ? 0.7734 0.6419 0.6740 -0.0016 -0.0132 -0.0031 197 PHE A CG +2236 C CD1 A PHE A 197 ? 0.7782 0.6402 0.6748 -0.0017 -0.0139 -0.0034 197 PHE A CD1 +2237 C CD1 B PHE A 197 ? 0.7793 0.6413 0.6758 -0.0016 -0.0140 -0.0034 197 PHE A CD1 +2238 C CD2 A PHE A 197 ? 0.7826 0.6543 0.6850 0.0009 -0.0120 -0.0038 197 PHE A CD2 +2239 C CD2 B PHE A 197 ? 0.7847 0.6563 0.6871 0.0010 -0.0120 -0.0038 197 PHE A CD2 +2240 C CE1 A PHE A 197 ? 0.7735 0.6320 0.6676 0.0010 -0.0134 -0.0044 197 PHE A CE1 +2241 C CE1 B PHE A 197 ? 0.7733 0.6317 0.6674 0.0011 -0.0135 -0.0044 197 PHE A CE1 +2242 C CE2 A PHE A 197 ? 0.7734 0.6420 0.6737 0.0036 -0.0114 -0.0049 197 PHE A CE2 +2243 C CE2 B PHE A 197 ? 0.7732 0.6416 0.6734 0.0037 -0.0115 -0.0049 197 PHE A CE2 +2244 C CZ A PHE A 197 ? 0.8187 0.6806 0.7147 0.0037 -0.0122 -0.0052 197 PHE A CZ +2245 C CZ B PHE A 197 ? 0.8193 0.6810 0.7153 0.0039 -0.0122 -0.0052 197 PHE A CZ +2246 N N A HIS A 198 ? 0.6043 0.4793 0.5095 -0.0108 -0.0158 0.0003 198 HIS A N +2247 N N B HIS A 198 ? 0.6022 0.4772 0.5073 -0.0109 -0.0158 0.0003 198 HIS A N +2248 C CA A HIS A 198 ? 0.6077 0.4861 0.5156 -0.0127 -0.0164 0.0016 198 HIS A CA +2249 C CA B HIS A 198 ? 0.6074 0.4857 0.5152 -0.0127 -0.0164 0.0015 198 HIS A CA +2250 C C A HIS A 198 ? 0.5744 0.4493 0.4809 -0.0144 -0.0175 0.0023 198 HIS A C +2251 C C B HIS A 198 ? 0.5724 0.4473 0.4789 -0.0144 -0.0175 0.0023 198 HIS A C +2252 O O A HIS A 198 ? 0.6478 0.5242 0.5562 -0.0149 -0.0179 0.0034 198 HIS A O +2253 O O B HIS A 198 ? 0.6491 0.5256 0.5575 -0.0150 -0.0179 0.0034 198 HIS A O +2254 C CB A HIS A 198 ? 0.5924 0.4738 0.5010 -0.0145 -0.0162 0.0014 198 HIS A CB +2255 C CB B HIS A 198 ? 0.5918 0.4733 0.5005 -0.0144 -0.0162 0.0015 198 HIS A CB +2256 C CG A HIS A 198 ? 0.6637 0.5484 0.5749 -0.0162 -0.0168 0.0026 198 HIS A CG +2257 C CG B HIS A 198 ? 0.6656 0.5505 0.5769 -0.0162 -0.0168 0.0027 198 HIS A CG +2258 N ND1 A HIS A 198 ? 0.6229 0.5066 0.5336 -0.0185 -0.0178 0.0031 198 HIS A ND1 +2259 N ND1 B HIS A 198 ? 0.6235 0.5074 0.5343 -0.0185 -0.0178 0.0031 198 HIS A ND1 +2260 C CD2 A HIS A 198 ? 0.6432 0.5325 0.5576 -0.0160 -0.0165 0.0034 198 HIS A CD2 +2261 C CD2 B HIS A 198 ? 0.6452 0.5345 0.5597 -0.0158 -0.0165 0.0035 198 HIS A CD2 +2262 C CE1 A HIS A 198 ? 0.5867 0.4740 0.5001 -0.0195 -0.0180 0.0041 198 HIS A CE1 +2263 C CE1 B HIS A 198 ? 0.5866 0.4742 0.5001 -0.0195 -0.0180 0.0041 198 HIS A CE1 +2264 N NE2 A HIS A 198 ? 0.6404 0.5310 0.5560 -0.0180 -0.0173 0.0043 198 HIS A NE2 +2265 N NE2 B HIS A 198 ? 0.6424 0.5331 0.5581 -0.0179 -0.0173 0.0044 198 HIS A NE2 +2266 N N . GLN A 199 ? 0.6134 0.4836 0.5167 -0.0153 -0.0179 0.0016 199 GLN A N +2267 C CA . GLN A 199 ? 0.7158 0.5824 0.6177 -0.0171 -0.0188 0.0021 199 GLN A CA +2268 C C . GLN A 199 ? 0.6764 0.5405 0.5777 -0.0154 -0.0188 0.0028 199 GLN A C +2269 O O . GLN A 199 ? 0.6470 0.5106 0.5489 -0.0166 -0.0193 0.0039 199 GLN A O +2270 C CB . GLN A 199 ? 0.7017 0.5636 0.6001 -0.0183 -0.0193 0.0010 199 GLN A CB +2271 C CG . GLN A 199 ? 0.6278 0.4920 0.5265 -0.0201 -0.0195 0.0004 199 GLN A CG +2272 C CD . GLN A 199 ? 0.7860 0.6456 0.6810 -0.0206 -0.0199 -0.0010 199 GLN A CD +2273 O OE1 . GLN A 199 ? 0.7566 0.6112 0.6487 -0.0197 -0.0198 -0.0015 199 GLN A OE1 +2274 N NE2 . GLN A 199 ? 0.6925 0.5535 0.5871 -0.0219 -0.0203 -0.0016 199 GLN A NE2 +2275 N N A LEU A 200 ? 0.6614 0.5238 0.5615 -0.0126 -0.0183 0.0021 200 LEU A N +2276 N N B LEU A 200 ? 0.6612 0.5236 0.5614 -0.0127 -0.0183 0.0022 200 LEU A N +2277 C CA A LEU A 200 ? 0.6177 0.4783 0.5175 -0.0106 -0.0184 0.0028 200 LEU A CA +2278 C CA B LEU A 200 ? 0.6172 0.4779 0.5171 -0.0107 -0.0184 0.0028 200 LEU A CA +2279 C C A LEU A 200 ? 0.6905 0.5563 0.5940 -0.0102 -0.0184 0.0039 200 LEU A C +2280 C C B LEU A 200 ? 0.6903 0.5562 0.5939 -0.0103 -0.0185 0.0039 200 LEU A C +2281 O O A LEU A 200 ? 0.6364 0.5011 0.5399 -0.0099 -0.0189 0.0050 200 LEU A O +2282 O O B LEU A 200 ? 0.6360 0.5007 0.5395 -0.0101 -0.0189 0.0050 200 LEU A O +2283 C CB A LEU A 200 ? 0.7020 0.5605 0.6002 -0.0075 -0.0179 0.0017 200 LEU A CB +2284 C CB B LEU A 200 ? 0.7018 0.5603 0.6000 -0.0075 -0.0179 0.0018 200 LEU A CB +2285 C CG A LEU A 200 ? 0.7549 0.6066 0.6485 -0.0075 -0.0179 0.0008 200 LEU A CG +2286 C CG B LEU A 200 ? 0.7541 0.6059 0.6478 -0.0076 -0.0180 0.0008 200 LEU A CG +2287 C CD1 A LEU A 200 ? 0.7499 0.6005 0.6422 -0.0043 -0.0172 -0.0005 200 LEU A CD1 +2288 C CD1 B LEU A 200 ? 0.7497 0.6004 0.6421 -0.0045 -0.0172 -0.0005 200 LEU A CD1 +2289 C CD2 A LEU A 200 ? 0.7117 0.5578 0.6027 -0.0080 -0.0186 0.0016 200 LEU A CD2 +2290 C CD2 B LEU A 200 ? 0.7098 0.5562 0.6010 -0.0080 -0.0186 0.0017 200 LEU A CD2 +2291 N N . GLY A 201 ? 0.6826 0.5540 0.5892 -0.0101 -0.0180 0.0037 201 GLY A N +2292 C CA . GLY A 201 ? 0.6356 0.5120 0.5457 -0.0100 -0.0180 0.0047 201 GLY A CA +2293 C C . GLY A 201 ? 0.6181 0.4947 0.5288 -0.0125 -0.0187 0.0059 201 GLY A C +2294 O O . GLY A 201 ? 0.6198 0.4974 0.5316 -0.0122 -0.0191 0.0069 201 GLY A O +2295 N N . VAL A 202 ? 0.6709 0.5465 0.5807 -0.0151 -0.0189 0.0058 202 VAL A N +2296 C CA . VAL A 202 ? 0.6298 0.5059 0.5403 -0.0175 -0.0194 0.0068 202 VAL A CA +2297 C C . VAL A 202 ? 0.6479 0.5193 0.5562 -0.0176 -0.0198 0.0075 202 VAL A C +2298 O O . VAL A 202 ? 0.6819 0.5542 0.5912 -0.0183 -0.0200 0.0087 202 VAL A O +2299 C CB . VAL A 202 ? 0.6438 0.5201 0.5540 -0.0200 -0.0197 0.0063 202 VAL A CB +2300 C CG1 . VAL A 202 ? 0.6130 0.4892 0.5238 -0.0226 -0.0202 0.0073 202 VAL A CG1 +2301 C CG2 . VAL A 202 ? 0.5700 0.4511 0.4823 -0.0200 -0.0193 0.0059 202 VAL A CG2 +2302 N N A ALA A 203 ? 0.6433 0.5093 0.5483 -0.0169 -0.0198 0.0069 203 ALA A N +2303 N N B ALA A 203 ? 0.6433 0.5093 0.5483 -0.0169 -0.0198 0.0069 203 ALA A N +2304 C CA A ALA A 203 ? 0.6492 0.5100 0.5515 -0.0167 -0.0200 0.0075 203 ALA A CA +2305 C CA B ALA A 203 ? 0.6486 0.5095 0.5510 -0.0167 -0.0200 0.0075 203 ALA A CA +2306 C C A ALA A 203 ? 0.6710 0.5330 0.5742 -0.0142 -0.0201 0.0084 203 ALA A C +2307 C C B ALA A 203 ? 0.6715 0.5334 0.5746 -0.0142 -0.0201 0.0083 203 ALA A C +2308 O O A ALA A 203 ? 0.6809 0.5410 0.5833 -0.0146 -0.0203 0.0095 203 ALA A O +2309 O O B ALA A 203 ? 0.6820 0.5419 0.5842 -0.0145 -0.0203 0.0095 203 ALA A O +2310 C CB A ALA A 203 ? 0.7161 0.5710 0.6147 -0.0159 -0.0200 0.0065 203 ALA A CB +2311 C CB B ALA A 203 ? 0.7169 0.5717 0.6154 -0.0160 -0.0200 0.0065 203 ALA A CB +2312 N N A GLY A 204 ? 0.6717 0.5368 0.5765 -0.0117 -0.0198 0.0078 204 GLY A N +2313 N N B GLY A 204 ? 0.6718 0.5369 0.5766 -0.0117 -0.0198 0.0077 204 GLY A N +2314 C CA A GLY A 204 ? 0.6261 0.4930 0.5322 -0.0093 -0.0201 0.0084 204 GLY A CA +2315 C CA B GLY A 204 ? 0.6246 0.4916 0.5307 -0.0092 -0.0201 0.0083 204 GLY A CA +2316 C C A GLY A 204 ? 0.7351 0.6057 0.6436 -0.0106 -0.0203 0.0096 204 GLY A C +2317 C C B GLY A 204 ? 0.7382 0.6089 0.6467 -0.0104 -0.0203 0.0096 204 GLY A C +2318 O O A GLY A 204 ? 0.7181 0.5873 0.6258 -0.0098 -0.0207 0.0106 204 GLY A O +2319 O O B GLY A 204 ? 0.7206 0.5897 0.6282 -0.0095 -0.0207 0.0105 204 GLY A O +2320 N N A VAL A 205 ? 0.6156 0.4909 0.5269 -0.0124 -0.0201 0.0096 205 VAL A N +2321 N N B VAL A 205 ? 0.6159 0.4911 0.5271 -0.0123 -0.0201 0.0096 205 VAL A N +2322 C CA A VAL A 205 ? 0.6253 0.5043 0.5389 -0.0133 -0.0203 0.0106 205 VAL A CA +2323 C CA B VAL A 205 ? 0.6231 0.5021 0.5367 -0.0131 -0.0203 0.0106 205 VAL A CA +2324 C C A VAL A 205 ? 0.6164 0.4933 0.5289 -0.0159 -0.0204 0.0116 205 VAL A C +2325 C C B VAL A 205 ? 0.6153 0.4922 0.5278 -0.0158 -0.0204 0.0116 205 VAL A C +2326 O O A VAL A 205 ? 0.6472 0.5244 0.5599 -0.0160 -0.0206 0.0127 205 VAL A O +2327 O O B VAL A 205 ? 0.6480 0.5253 0.5608 -0.0160 -0.0206 0.0127 205 VAL A O +2328 C CB A VAL A 205 ? 0.6841 0.5693 0.6013 -0.0137 -0.0200 0.0102 205 VAL A CB +2329 C CB B VAL A 205 ? 0.6856 0.5707 0.6028 -0.0135 -0.0201 0.0103 205 VAL A CB +2330 C CG1 A VAL A 205 ? 0.6322 0.5196 0.5506 -0.0112 -0.0197 0.0092 205 VAL A CG1 +2331 C CG1 B VAL A 205 ? 0.6325 0.5199 0.5510 -0.0111 -0.0197 0.0092 205 VAL A CG1 +2332 C CG2 A VAL A 205 ? 0.6537 0.5397 0.5712 -0.0163 -0.0198 0.0099 205 VAL A CG2 +2333 C CG2 B VAL A 205 ? 0.6554 0.5415 0.5730 -0.0162 -0.0198 0.0100 205 VAL A CG2 +2334 N N A PHE A 206 ? 0.6459 0.5207 0.5573 -0.0181 -0.0203 0.0112 206 PHE A N +2335 N N B PHE A 206 ? 0.6470 0.5219 0.5584 -0.0180 -0.0203 0.0112 206 PHE A N +2336 C CA A PHE A 206 ? 0.5969 0.4691 0.5071 -0.0206 -0.0203 0.0120 206 PHE A CA +2337 C CA B PHE A 206 ? 0.5952 0.4675 0.5054 -0.0205 -0.0203 0.0120 206 PHE A CA +2338 C C A PHE A 206 ? 0.6566 0.5234 0.5636 -0.0196 -0.0204 0.0127 206 PHE A C +2339 C C B PHE A 206 ? 0.6564 0.5233 0.5635 -0.0196 -0.0204 0.0127 206 PHE A C +2340 O O A PHE A 206 ? 0.7120 0.5781 0.6187 -0.0204 -0.0203 0.0139 206 PHE A O +2341 O O B PHE A 206 ? 0.7145 0.5808 0.6213 -0.0204 -0.0203 0.0139 206 PHE A O +2342 C CB A PHE A 206 ? 0.7019 0.5723 0.6111 -0.0229 -0.0203 0.0112 206 PHE A CB +2343 C CB B PHE A 206 ? 0.7040 0.5747 0.6134 -0.0228 -0.0203 0.0112 206 PHE A CB +2344 C CG A PHE A 206 ? 0.6342 0.5094 0.5463 -0.0247 -0.0204 0.0109 206 PHE A CG +2345 C CG B PHE A 206 ? 0.6332 0.5088 0.5455 -0.0247 -0.0204 0.0110 206 PHE A CG +2346 C CD1 A PHE A 206 ? 0.6529 0.5333 0.5679 -0.0245 -0.0203 0.0115 206 PHE A CD1 +2347 C CD1 B PHE A 206 ? 0.6535 0.5341 0.5687 -0.0244 -0.0203 0.0116 206 PHE A CD1 +2348 C CD2 A PHE A 206 ? 0.6936 0.5679 0.6051 -0.0266 -0.0206 0.0100 206 PHE A CD2 +2349 C CD2 B PHE A 206 ? 0.6971 0.5719 0.6089 -0.0266 -0.0206 0.0101 206 PHE A CD2 +2350 C CE1 A PHE A 206 ? 0.5948 0.4792 0.5121 -0.0261 -0.0204 0.0113 206 PHE A CE1 +2351 C CE1 B PHE A 206 ? 0.5965 0.4812 0.5139 -0.0260 -0.0204 0.0114 206 PHE A CE1 +2352 C CE2 A PHE A 206 ? 0.6506 0.5292 0.5645 -0.0281 -0.0208 0.0098 206 PHE A CE2 +2353 C CE2 B PHE A 206 ? 0.6539 0.5331 0.5681 -0.0280 -0.0208 0.0099 206 PHE A CE2 +2354 C CZ A PHE A 206 ? 0.6396 0.5230 0.5562 -0.0278 -0.0207 0.0104 206 PHE A CZ +2355 C CZ B PHE A 206 ? 0.6374 0.5214 0.5543 -0.0277 -0.0207 0.0106 206 PHE A CZ +2356 N N A GLY A 207 ? 0.6473 0.5099 0.5516 -0.0178 -0.0204 0.0120 207 GLY A N +2357 N N B GLY A 207 ? 0.6468 0.5094 0.5511 -0.0179 -0.0204 0.0120 207 GLY A N +2358 C CA A GLY A 207 ? 0.6759 0.5330 0.5769 -0.0165 -0.0205 0.0127 207 GLY A CA +2359 C CA B GLY A 207 ? 0.6753 0.5322 0.5762 -0.0167 -0.0205 0.0127 207 GLY A CA +2360 C C A GLY A 207 ? 0.7014 0.5601 0.6030 -0.0143 -0.0208 0.0136 207 GLY A C +2361 C C B GLY A 207 ? 0.7030 0.5616 0.6046 -0.0143 -0.0208 0.0136 207 GLY A C +2362 O O A GLY A 207 ? 0.6785 0.5340 0.5779 -0.0144 -0.0208 0.0148 207 GLY A O +2363 O O B GLY A 207 ? 0.6801 0.5354 0.5795 -0.0143 -0.0208 0.0147 207 GLY A O +2364 N N A GLY A 208 ? 0.6344 0.4981 0.5388 -0.0123 -0.0211 0.0131 208 GLY A N +2365 N N B GLY A 208 ? 0.6326 0.4962 0.5370 -0.0124 -0.0210 0.0131 208 GLY A N +2366 C CA A GLY A 208 ? 0.6695 0.5354 0.5749 -0.0102 -0.0215 0.0139 208 GLY A CA +2367 C CA B GLY A 208 ? 0.6709 0.5368 0.5763 -0.0103 -0.0215 0.0138 208 GLY A CA +2368 C C A GLY A 208 ? 0.7025 0.5701 0.6088 -0.0121 -0.0215 0.0151 208 GLY A C +2369 C C B GLY A 208 ? 0.7046 0.5724 0.6111 -0.0121 -0.0215 0.0151 208 GLY A C +2370 O O A GLY A 208 ? 0.6816 0.5474 0.5863 -0.0111 -0.0218 0.0162 208 GLY A O +2371 O O B GLY A 208 ? 0.6850 0.5513 0.5901 -0.0110 -0.0218 0.0160 208 GLY A O +2372 N N A ALA A 209 ? 0.6354 0.5064 0.5440 -0.0147 -0.0211 0.0151 209 ALA A N +2373 N N B ALA A 209 ? 0.6360 0.5070 0.5447 -0.0148 -0.0211 0.0150 209 ALA A N +2374 C CA A ALA A 209 ? 0.6490 0.5220 0.5588 -0.0166 -0.0210 0.0162 209 ALA A CA +2375 C CA B ALA A 209 ? 0.6498 0.5227 0.5595 -0.0166 -0.0210 0.0161 209 ALA A CA +2376 C C A ALA A 209 ? 0.5948 0.4623 0.5013 -0.0182 -0.0206 0.0171 209 ALA A C +2377 C C B ALA A 209 ? 0.5920 0.4596 0.4985 -0.0182 -0.0206 0.0171 209 ALA A C +2378 O O A ALA A 209 ? 0.6804 0.5472 0.5860 -0.0182 -0.0206 0.0183 209 ALA A O +2379 O O B ALA A 209 ? 0.6820 0.5488 0.5876 -0.0182 -0.0205 0.0183 209 ALA A O +2380 C CB A ALA A 209 ? 0.6134 0.4910 0.5263 -0.0188 -0.0207 0.0158 209 ALA A CB +2381 C CB B ALA A 209 ? 0.6125 0.4903 0.5255 -0.0188 -0.0207 0.0158 209 ALA A CB +2382 N N A LEU A 210 ? 0.6884 0.5520 0.5930 -0.0196 -0.0203 0.0166 210 LEU A N +2383 N N B LEU A 210 ? 0.6901 0.5537 0.5947 -0.0196 -0.0203 0.0166 210 LEU A N +2384 C CA A LEU A 210 ? 0.6852 0.5431 0.5864 -0.0212 -0.0198 0.0174 210 LEU A CA +2385 C CA B LEU A 210 ? 0.6863 0.5441 0.5875 -0.0212 -0.0198 0.0174 210 LEU A CA +2386 C C A LEU A 210 ? 0.6966 0.5498 0.5943 -0.0188 -0.0200 0.0183 210 LEU A C +2387 C C B LEU A 210 ? 0.6975 0.5507 0.5952 -0.0188 -0.0200 0.0183 210 LEU A C +2388 O O A LEU A 210 ? 0.6703 0.5211 0.5661 -0.0196 -0.0196 0.0196 210 LEU A O +2389 O O B LEU A 210 ? 0.6704 0.5214 0.5663 -0.0195 -0.0196 0.0195 210 LEU A O +2390 C CB A LEU A 210 ? 0.6361 0.4902 0.5356 -0.0227 -0.0196 0.0165 210 LEU A CB +2391 C CB B LEU A 210 ? 0.6341 0.4882 0.5337 -0.0227 -0.0196 0.0165 210 LEU A CB +2392 C CG A LEU A 210 ? 0.8132 0.6618 0.7099 -0.0254 -0.0189 0.0169 210 LEU A CG +2393 C CG B LEU A 210 ? 0.8174 0.6661 0.7142 -0.0255 -0.0189 0.0169 210 LEU A CG +2394 C CD1 A LEU A 210 ? 0.7712 0.6170 0.6668 -0.0267 -0.0190 0.0156 210 LEU A CD1 +2395 C CD1 B LEU A 210 ? 0.7713 0.6169 0.6668 -0.0265 -0.0190 0.0156 210 LEU A CD1 +2396 C CD2 A LEU A 210 ? 0.7244 0.5668 0.6169 -0.0244 -0.0187 0.0181 210 LEU A CD2 +2397 C CD2 B LEU A 210 ? 0.7243 0.5670 0.6170 -0.0247 -0.0186 0.0181 210 LEU A CD2 +2398 N N A PHE A 211 ? 0.6459 0.4975 0.5423 -0.0158 -0.0206 0.0176 211 PHE A N +2399 N N B PHE A 211 ? 0.6454 0.4968 0.5417 -0.0158 -0.0206 0.0176 211 PHE A N +2400 C CA A PHE A 211 ? 0.6533 0.5000 0.5460 -0.0133 -0.0209 0.0184 211 PHE A CA +2401 C CA B PHE A 211 ? 0.6527 0.4992 0.5453 -0.0133 -0.0209 0.0184 211 PHE A CA +2402 C C A PHE A 211 ? 0.6739 0.5238 0.5677 -0.0118 -0.0214 0.0193 211 PHE A C +2403 C C B PHE A 211 ? 0.6737 0.5235 0.5675 -0.0118 -0.0214 0.0193 211 PHE A C +2404 O O A PHE A 211 ? 0.7340 0.5799 0.6245 -0.0109 -0.0215 0.0205 211 PHE A O +2405 O O B PHE A 211 ? 0.7367 0.5825 0.6272 -0.0108 -0.0215 0.0204 211 PHE A O +2406 C CB A PHE A 211 ? 0.6872 0.5315 0.5784 -0.0103 -0.0214 0.0173 211 PHE A CB +2407 C CB B PHE A 211 ? 0.6866 0.5307 0.5777 -0.0103 -0.0214 0.0173 211 PHE A CB +2408 C CG A PHE A 211 ? 0.7192 0.5593 0.6085 -0.0118 -0.0210 0.0165 211 PHE A CG +2409 C CG B PHE A 211 ? 0.7188 0.5588 0.6080 -0.0117 -0.0210 0.0164 211 PHE A CG +2410 C CD1 A PHE A 211 ? 0.7858 0.6206 0.6721 -0.0145 -0.0203 0.0171 211 PHE A CD1 +2411 C CD1 B PHE A 211 ? 0.7861 0.6212 0.6726 -0.0146 -0.0203 0.0170 211 PHE A CD1 +2412 C CD2 A PHE A 211 ? 0.7867 0.6281 0.6770 -0.0105 -0.0211 0.0150 211 PHE A CD2 +2413 C CD2 B PHE A 211 ? 0.7884 0.6295 0.6784 -0.0102 -0.0212 0.0150 211 PHE A CD2 +2414 C CE1 A PHE A 211 ? 0.8387 0.6696 0.7232 -0.0159 -0.0200 0.0161 211 PHE A CE1 +2415 C CE1 B PHE A 211 ? 0.8399 0.6713 0.7248 -0.0161 -0.0200 0.0160 211 PHE A CE1 +2416 C CE2 A PHE A 211 ? 0.6719 0.5093 0.5602 -0.0118 -0.0208 0.0141 211 PHE A CE2 +2417 C CE2 B PHE A 211 ? 0.6702 0.5073 0.5583 -0.0115 -0.0208 0.0141 211 PHE A CE2 +2418 C CZ A PHE A 211 ? 0.7280 0.5601 0.6133 -0.0145 -0.0203 0.0146 211 PHE A CZ +2419 C CZ B PHE A 211 ? 0.7250 0.5573 0.6105 -0.0144 -0.0203 0.0146 211 PHE A CZ +2420 N N A CYS A 212 ? 0.6764 0.5333 0.5746 -0.0116 -0.0217 0.0189 212 CYS A N +2421 N N B CYS A 212 ? 0.6781 0.5349 0.5763 -0.0117 -0.0217 0.0188 212 CYS A N +2422 C CA A CYS A 212 ? 0.6528 0.5132 0.5524 -0.0107 -0.0222 0.0196 212 CYS A CA +2423 C CA B CYS A 212 ? 0.6517 0.5120 0.5513 -0.0108 -0.0221 0.0196 212 CYS A CA +2424 C C A CYS A 212 ? 0.6707 0.5293 0.5688 -0.0131 -0.0215 0.0210 212 CYS A C +2425 C C B CYS A 212 ? 0.6709 0.5293 0.5689 -0.0131 -0.0215 0.0210 212 CYS A C +2426 O O A CYS A 212 ? 0.6481 0.5043 0.5436 -0.0119 -0.0217 0.0221 212 CYS A O +2427 O O B CYS A 212 ? 0.6457 0.5013 0.5409 -0.0119 -0.0217 0.0221 212 CYS A O +2428 C CB A CYS A 212 ? 0.6725 0.5405 0.5771 -0.0109 -0.0224 0.0188 212 CYS A CB +2429 C CB B CYS A 212 ? 0.6746 0.5425 0.5792 -0.0110 -0.0223 0.0188 212 CYS A CB +2430 S SG A CYS A 212 ? 0.6579 0.5305 0.5645 -0.0097 -0.0231 0.0195 212 CYS A SG +2431 S SG B CYS A 212 ? 0.6532 0.5257 0.5598 -0.0097 -0.0231 0.0195 212 CYS A SG +2432 N N A ALA A 213 ? 0.6884 0.5482 0.5880 -0.0163 -0.0206 0.0210 213 ALA A N +2433 N N B ALA A 213 ? 0.6896 0.5495 0.5892 -0.0164 -0.0206 0.0210 213 ALA A N +2434 C CA A ALA A 213 ? 0.6862 0.5447 0.5847 -0.0187 -0.0198 0.0222 213 ALA A CA +2435 C CA B ALA A 213 ? 0.6870 0.5455 0.5854 -0.0187 -0.0198 0.0222 213 ALA A CA +2436 C C A ALA A 213 ? 0.7356 0.5864 0.6290 -0.0189 -0.0192 0.0231 213 ALA A C +2437 C C B ALA A 213 ? 0.7372 0.5879 0.6306 -0.0190 -0.0192 0.0231 213 ALA A C +2438 O O A ALA A 213 ? 0.7156 0.5641 0.6068 -0.0195 -0.0187 0.0244 213 ALA A O +2439 O O B ALA A 213 ? 0.7155 0.5638 0.6066 -0.0195 -0.0187 0.0244 213 ALA A O +2440 C CB A ALA A 213 ? 0.6202 0.4819 0.5216 -0.0220 -0.0190 0.0218 213 ALA A CB +2441 C CB B ALA A 213 ? 0.6194 0.4811 0.5208 -0.0221 -0.0190 0.0218 213 ALA A CB +2442 N N A MET A 214 ? 0.7123 0.5588 0.6036 -0.0186 -0.0193 0.0224 214 MET A N +2443 N N B MET A 214 ? 0.7121 0.5587 0.6035 -0.0186 -0.0193 0.0224 214 MET A N +2444 C CA A MET A 214 ? 0.7806 0.6193 0.6668 -0.0188 -0.0188 0.0232 214 MET A CA +2445 C CA B MET A 214 ? 0.7827 0.6214 0.6690 -0.0188 -0.0188 0.0231 214 MET A CA +2446 C C A MET A 214 ? 0.7506 0.5860 0.6333 -0.0156 -0.0194 0.0242 214 MET A C +2447 C C B MET A 214 ? 0.7508 0.5862 0.6336 -0.0157 -0.0194 0.0241 214 MET A C +2448 O O A MET A 214 ? 0.7208 0.5524 0.6003 -0.0163 -0.0188 0.0255 214 MET A O +2449 O O B MET A 214 ? 0.7214 0.5528 0.6009 -0.0163 -0.0188 0.0254 214 MET A O +2450 C CB A MET A 214 ? 0.7784 0.6136 0.6633 -0.0184 -0.0190 0.0220 214 MET A CB +2451 C CB B MET A 214 ? 0.7764 0.6115 0.6613 -0.0185 -0.0189 0.0219 214 MET A CB +2452 C CG A MET A 214 ? 1.0495 0.8774 0.9303 -0.0205 -0.0181 0.0224 214 MET A CG +2453 C CG B MET A 214 ? 1.0538 0.8815 0.9345 -0.0206 -0.0180 0.0224 214 MET A CG +2454 S SD A MET A 214 ? 1.0605 0.8901 0.9434 -0.0256 -0.0167 0.0226 214 MET A SD +2455 S SD B MET A 214 ? 1.0651 0.8949 0.9482 -0.0257 -0.0167 0.0225 214 MET A SD +2456 C CE A MET A 214 ? 0.9592 0.7799 0.8361 -0.0266 -0.0156 0.0242 214 MET A CE +2457 C CE B MET A 214 ? 0.9665 0.7872 0.8436 -0.0271 -0.0155 0.0240 214 MET A CE +2458 N N A HIS A 215 ? 0.6886 0.5255 0.5719 -0.0122 -0.0206 0.0234 215 HIS A N +2459 N N B HIS A 215 ? 0.6861 0.5232 0.5696 -0.0122 -0.0206 0.0234 215 HIS A N +2460 C CA A HIS A 215 ? 0.7118 0.5461 0.5920 -0.0088 -0.0215 0.0242 215 HIS A CA +2461 C CA B HIS A 215 ? 0.7114 0.5458 0.5918 -0.0088 -0.0215 0.0241 215 HIS A CA +2462 C C A HIS A 215 ? 0.7887 0.6257 0.6695 -0.0090 -0.0216 0.0253 215 HIS A C +2463 C C B HIS A 215 ? 0.7914 0.6282 0.6721 -0.0091 -0.0215 0.0253 215 HIS A C +2464 O O A HIS A 215 ? 0.7460 0.5784 0.6226 -0.0080 -0.0216 0.0265 215 HIS A O +2465 O O B HIS A 215 ? 0.7497 0.5816 0.6261 -0.0082 -0.0215 0.0266 215 HIS A O +2466 C CB A HIS A 215 ? 0.7094 0.5469 0.5917 -0.0053 -0.0229 0.0230 215 HIS A CB +2467 C CB B HIS A 215 ? 0.7089 0.5465 0.5913 -0.0053 -0.0229 0.0229 215 HIS A CB +2468 C CG A HIS A 215 ? 0.7578 0.5929 0.6372 -0.0015 -0.0241 0.0235 215 HIS A CG +2469 C CG B HIS A 215 ? 0.7589 0.5940 0.6383 -0.0015 -0.0241 0.0234 215 HIS A CG +2470 N ND1 A HIS A 215 ? 0.7131 0.5401 0.5866 -0.0003 -0.0241 0.0244 215 HIS A ND1 +2471 N ND1 B HIS A 215 ? 0.7105 0.5376 0.5841 -0.0002 -0.0241 0.0243 215 HIS A ND1 +2472 C CD2 A HIS A 215 ? 0.7032 0.5426 0.5846 0.0014 -0.0254 0.0232 215 HIS A CD2 +2473 C CD2 B HIS A 215 ? 0.7022 0.5417 0.5837 0.0014 -0.0254 0.0232 215 HIS A CD2 +2474 C CE1 A HIS A 215 ? 0.7580 0.5845 0.6299 0.0034 -0.0254 0.0246 215 HIS A CE1 +2475 C CE1 B HIS A 215 ? 0.7575 0.5841 0.6295 0.0034 -0.0254 0.0246 215 HIS A CE1 +2476 N NE2 A HIS A 215 ? 0.7974 0.6315 0.6742 0.0045 -0.0263 0.0239 215 HIS A NE2 +2477 N NE2 B HIS A 215 ? 0.8007 0.6349 0.6776 0.0044 -0.0263 0.0238 215 HIS A NE2 +2478 N N A GLY A 216 ? 0.7143 0.5584 0.6000 -0.0104 -0.0215 0.0249 216 GLY A N +2479 N N B GLY A 216 ? 0.7147 0.5586 0.6003 -0.0104 -0.0215 0.0249 216 GLY A N +2480 C CA A GLY A 216 ? 0.7089 0.5557 0.5952 -0.0107 -0.0215 0.0258 216 GLY A CA +2481 C CA B GLY A 216 ? 0.7093 0.5557 0.5953 -0.0106 -0.0215 0.0259 216 GLY A CA +2482 C C A GLY A 216 ? 0.7165 0.5591 0.5996 -0.0133 -0.0201 0.0272 216 GLY A C +2483 C C B GLY A 216 ? 0.7163 0.5588 0.5994 -0.0133 -0.0201 0.0272 216 GLY A C +2484 O O A GLY A 216 ? 0.7043 0.5447 0.5846 -0.0124 -0.0201 0.0284 216 GLY A O +2485 O O B GLY A 216 ? 0.7020 0.5426 0.5824 -0.0126 -0.0200 0.0284 216 GLY A O +2486 N N A SER A 217 ? 0.7524 0.5937 0.6360 -0.0165 -0.0189 0.0271 217 SER A N +2487 N N B SER A 217 ? 0.7533 0.5947 0.6370 -0.0165 -0.0188 0.0270 217 SER A N +2488 C CA A SER A 217 ? 0.7882 0.6261 0.6695 -0.0193 -0.0173 0.0283 217 SER A CA +2489 C CA B SER A 217 ? 0.7899 0.6281 0.6714 -0.0195 -0.0173 0.0282 217 SER A CA +2490 C C A SER A 217 ? 0.7567 0.5860 0.6317 -0.0184 -0.0169 0.0293 217 SER A C +2491 C C B SER A 217 ? 0.7564 0.5859 0.6316 -0.0186 -0.0169 0.0293 217 SER A C +2492 O O A SER A 217 ? 0.7434 0.5693 0.6152 -0.0193 -0.0159 0.0307 217 SER A O +2493 O O B SER A 217 ? 0.7424 0.5688 0.6145 -0.0194 -0.0159 0.0307 217 SER A O +2494 C CB A SER A 217 ? 0.7378 0.5774 0.6219 -0.0230 -0.0162 0.0276 217 SER A CB +2495 C CB B SER A 217 ? 0.7351 0.5748 0.6193 -0.0231 -0.0162 0.0275 217 SER A CB +2496 O OG A SER A 217 ? 0.7936 0.6296 0.6765 -0.0232 -0.0163 0.0267 217 SER A OG +2497 O OG B SER A 217 ? 0.7940 0.6304 0.6772 -0.0231 -0.0164 0.0266 217 SER A OG +2498 N N A LEU A 218 ? 0.7615 0.5866 0.6342 -0.0166 -0.0176 0.0287 218 LEU A N +2499 N N B LEU A 218 ? 0.7589 0.5841 0.6317 -0.0169 -0.0175 0.0287 218 LEU A N +2500 C CA A LEU A 218 ? 0.8195 0.6357 0.6857 -0.0157 -0.0172 0.0297 218 LEU A CA +2501 C CA B LEU A 218 ? 0.8208 0.6372 0.6872 -0.0160 -0.0171 0.0297 218 LEU A CA +2502 C C A LEU A 218 ? 0.8184 0.6327 0.6812 -0.0124 -0.0182 0.0308 218 LEU A C +2503 C C B LEU A 218 ? 0.8204 0.6348 0.6834 -0.0127 -0.0180 0.0308 218 LEU A C +2504 O O A LEU A 218 ? 0.7997 0.6085 0.6577 -0.0128 -0.0173 0.0323 218 LEU A O +2505 O O B LEU A 218 ? 0.8000 0.6089 0.6583 -0.0132 -0.0172 0.0323 218 LEU A O +2506 C CB A LEU A 218 ? 0.7748 0.5871 0.6394 -0.0144 -0.0178 0.0287 218 LEU A CB +2507 C CB B LEU A 218 ? 0.7730 0.5854 0.6378 -0.0148 -0.0177 0.0287 218 LEU A CB +2508 C CG A LEU A 218 ? 0.8305 0.6423 0.6968 -0.0182 -0.0166 0.0280 218 LEU A CG +2509 C CG B LEU A 218 ? 0.8305 0.6424 0.6969 -0.0184 -0.0166 0.0279 218 LEU A CG +2510 C CD1 A LEU A 218 ? 0.9070 0.7151 0.7718 -0.0170 -0.0172 0.0268 218 LEU A CD1 +2511 C CD1 B LEU A 218 ? 0.9062 0.7141 0.7708 -0.0171 -0.0171 0.0268 218 LEU A CD1 +2512 C CD2 A LEU A 218 ? 0.8228 0.6296 0.6859 -0.0216 -0.0148 0.0292 218 LEU A CD2 +2513 C CD2 B LEU A 218 ? 0.8224 0.6298 0.6860 -0.0219 -0.0148 0.0291 218 LEU A CD2 +2514 N N A VAL A 219 ? 0.7835 0.6024 0.6487 -0.0091 -0.0199 0.0300 219 VAL A N +2515 N N B VAL A 219 ? 0.7847 0.6037 0.6501 -0.0094 -0.0198 0.0301 219 VAL A N +2516 C CA A VAL A 219 ? 0.7834 0.6014 0.6460 -0.0059 -0.0211 0.0308 219 VAL A CA +2517 C CA B VAL A 219 ? 0.7836 0.6013 0.6461 -0.0062 -0.0210 0.0309 219 VAL A CA +2518 C C A VAL A 219 ? 0.7904 0.6105 0.6532 -0.0076 -0.0203 0.0320 219 VAL A C +2519 C C B VAL A 219 ? 0.7904 0.6103 0.6531 -0.0078 -0.0202 0.0320 219 VAL A C +2520 O O A VAL A 219 ? 0.7692 0.5848 0.6272 -0.0065 -0.0202 0.0333 219 VAL A O +2521 O O B VAL A 219 ? 0.7707 0.5859 0.6285 -0.0068 -0.0201 0.0334 219 VAL A O +2522 C CB A VAL A 219 ? 0.7732 0.5969 0.6394 -0.0025 -0.0231 0.0296 219 VAL A CB +2523 C CB B VAL A 219 ? 0.7738 0.5971 0.6398 -0.0027 -0.0230 0.0296 219 VAL A CB +2524 C CG1 A VAL A 219 ? 0.6786 0.5027 0.5429 0.0005 -0.0245 0.0303 219 VAL A CG1 +2525 C CG1 B VAL A 219 ? 0.6772 0.5006 0.5411 0.0004 -0.0244 0.0303 219 VAL A CG1 +2526 C CG2 A VAL A 219 ? 0.7377 0.5583 0.6028 -0.0002 -0.0239 0.0286 219 VAL A CG2 +2527 C CG2 B VAL A 219 ? 0.7325 0.5527 0.5974 -0.0006 -0.0237 0.0286 219 VAL A CG2 +2528 N N A THR A 220 ? 0.7846 0.6113 0.6526 -0.0102 -0.0196 0.0315 220 THR A N +2529 N N B THR A 220 ? 0.7853 0.6120 0.6533 -0.0102 -0.0196 0.0315 220 THR A N +2530 C CA A THR A 220 ? 0.7638 0.5927 0.6321 -0.0118 -0.0188 0.0324 220 THR A CA +2531 C CA B THR A 220 ? 0.7633 0.5922 0.6316 -0.0118 -0.0188 0.0324 220 THR A CA +2532 C C A THR A 220 ? 0.8085 0.6311 0.6725 -0.0145 -0.0167 0.0338 220 THR A C +2533 C C B THR A 220 ? 0.8098 0.6325 0.6738 -0.0145 -0.0167 0.0338 220 THR A C +2534 O O A THR A 220 ? 0.7638 0.5846 0.6249 -0.0145 -0.0161 0.0351 220 THR A O +2535 O O B THR A 220 ? 0.7629 0.5838 0.6241 -0.0146 -0.0161 0.0351 220 THR A O +2536 C CB A THR A 220 ? 0.7761 0.6132 0.6510 -0.0139 -0.0185 0.0315 220 THR A CB +2537 C CB B THR A 220 ? 0.7766 0.6137 0.6514 -0.0139 -0.0185 0.0315 220 THR A CB +2538 O OG1 A THR A 220 ? 0.7605 0.6031 0.6389 -0.0113 -0.0203 0.0304 220 THR A OG1 +2539 O OG1 B THR A 220 ? 0.7617 0.6043 0.6402 -0.0114 -0.0203 0.0303 220 THR A OG1 +2540 C CG2 A THR A 220 ? 0.7461 0.5854 0.6214 -0.0157 -0.0174 0.0324 220 THR A CG2 +2541 C CG2 B THR A 220 ? 0.7447 0.5841 0.6199 -0.0155 -0.0175 0.0324 220 THR A CG2 +2542 N N A SER A 221 ? 0.7473 0.5664 0.6107 -0.0167 -0.0156 0.0336 221 SER A N +2543 N N B SER A 221 ? 0.7458 0.5650 0.6092 -0.0167 -0.0157 0.0336 221 SER A N +2544 C CA A SER A 221 ? 0.7866 0.5999 0.6462 -0.0196 -0.0136 0.0348 221 SER A CA +2545 C CA B SER A 221 ? 0.7851 0.5986 0.6448 -0.0197 -0.0136 0.0348 221 SER A CA +2546 C C A SER A 221 ? 0.8526 0.6573 0.7046 -0.0176 -0.0135 0.0362 221 SER A C +2547 C C B SER A 221 ? 0.8549 0.6597 0.7072 -0.0177 -0.0135 0.0362 221 SER A C +2548 O O A SER A 221 ? 0.8000 0.6000 0.6484 -0.0196 -0.0117 0.0375 221 SER A O +2549 O O B SER A 221 ? 0.7994 0.5996 0.6480 -0.0199 -0.0116 0.0375 221 SER A O +2550 C CB A SER A 221 ? 0.8233 0.6348 0.6839 -0.0225 -0.0126 0.0340 221 SER A CB +2551 C CB B SER A 221 ? 0.8263 0.6383 0.6873 -0.0226 -0.0126 0.0340 221 SER A CB +2552 O OG A SER A 221 ? 0.8743 0.6932 0.7413 -0.0249 -0.0123 0.0329 221 SER A OG +2553 O OG B SER A 221 ? 0.8751 0.6946 0.7425 -0.0250 -0.0123 0.0329 221 SER A OG +2554 N N A SER A 222 ? 0.7460 0.5484 0.5958 -0.0136 -0.0154 0.0359 222 SER A N +2555 N N B SER A 222 ? 0.7439 0.5465 0.5938 -0.0137 -0.0153 0.0360 222 SER A N +2556 C CA A SER A 222 ? 0.8830 0.6766 0.7253 -0.0113 -0.0156 0.0372 222 SER A CA +2557 C CA B SER A 222 ? 0.8842 0.6780 0.7266 -0.0115 -0.0155 0.0372 222 SER A CA +2558 C C A SER A 222 ? 0.8794 0.6739 0.7198 -0.0073 -0.0174 0.0377 222 SER A C +2559 C C B SER A 222 ? 0.8808 0.6755 0.7213 -0.0075 -0.0173 0.0377 222 SER A C +2560 O O A SER A 222 ? 0.8312 0.6194 0.6660 -0.0041 -0.0184 0.0383 222 SER A O +2561 O O B SER A 222 ? 0.8308 0.6194 0.6659 -0.0043 -0.0183 0.0383 222 SER A O +2562 C CB A SER A 222 ? 0.8524 0.6407 0.6923 -0.0100 -0.0161 0.0365 222 SER A CB +2563 C CB B SER A 222 ? 0.8533 0.6416 0.6932 -0.0102 -0.0160 0.0366 222 SER A CB +2564 O OG A SER A 222 ? 0.8882 0.6818 0.7325 -0.0076 -0.0180 0.0349 222 SER A OG +2565 O OG B SER A 222 ? 0.8888 0.6824 0.7332 -0.0081 -0.0178 0.0349 222 SER A OG +2566 N N A LEU A 223 ? 0.8808 0.6827 0.7254 -0.0073 -0.0179 0.0374 223 LEU A N +2567 N N B LEU A 223 ? 0.8827 0.6848 0.7275 -0.0075 -0.0178 0.0374 223 LEU A N +2568 C CA A LEU A 223 ? 0.8308 0.6334 0.6734 -0.0040 -0.0195 0.0379 223 LEU A CA +2569 C CA B LEU A 223 ? 0.8313 0.6342 0.6742 -0.0042 -0.0194 0.0379 223 LEU A CA +2570 C C A LEU A 223 ? 0.9141 0.7087 0.7492 -0.0039 -0.0184 0.0398 223 LEU A C +2571 C C B LEU A 223 ? 0.9158 0.7107 0.7511 -0.0041 -0.0183 0.0398 223 LEU A C +2572 O O A LEU A 223 ? 0.8561 0.6483 0.6897 -0.0073 -0.0160 0.0408 223 LEU A O +2573 O O B LEU A 223 ? 0.8557 0.6480 0.6894 -0.0075 -0.0159 0.0408 223 LEU A O +2574 C CB A LEU A 223 ? 0.7303 0.5416 0.5784 -0.0047 -0.0198 0.0373 223 LEU A CB +2575 C CB B LEU A 223 ? 0.7279 0.5395 0.5763 -0.0050 -0.0197 0.0373 223 LEU A CB +2576 C CG A LEU A 223 ? 0.7285 0.5481 0.5841 -0.0048 -0.0209 0.0355 223 LEU A CG +2577 C CG B LEU A 223 ? 0.7267 0.5466 0.5825 -0.0049 -0.0208 0.0355 223 LEU A CG +2578 C CD1 A LEU A 223 ? 0.7167 0.5438 0.5765 -0.0051 -0.0213 0.0352 223 LEU A CD1 +2579 C CD1 B LEU A 223 ? 0.7151 0.5424 0.5751 -0.0051 -0.0213 0.0351 223 LEU A CD1 +2580 C CD2 A LEU A 223 ? 0.7298 0.5494 0.5855 -0.0009 -0.0231 0.0345 223 LEU A CD2 +2581 C CD2 B LEU A 223 ? 0.7287 0.5483 0.5844 -0.0011 -0.0230 0.0345 223 LEU A CD2 +2582 N N A ILE A 224 ? 0.8474 0.6381 0.6777 0.0001 -0.0201 0.0403 224 ILE A N +2583 N N B ILE A 224 ? 0.8477 0.6389 0.6783 -0.0001 -0.0201 0.0403 224 ILE A N +2584 C CA A ILE A 224 ? 0.9007 0.6834 0.7232 0.0007 -0.0193 0.0422 224 ILE A CA +2585 C CA B ILE A 224 ? 0.8995 0.6825 0.7222 0.0005 -0.0192 0.0422 224 ILE A CA +2586 C C A ILE A 224 ? 0.9144 0.7006 0.7372 0.0001 -0.0189 0.0429 224 ILE A C +2587 C C B ILE A 224 ? 0.9151 0.7015 0.7380 -0.0001 -0.0188 0.0429 224 ILE A C +2588 O O A ILE A 224 ? 0.8316 0.6243 0.6580 0.0021 -0.0208 0.0420 224 ILE A O +2589 O O B ILE A 224 ? 0.8288 0.6216 0.6552 0.0019 -0.0207 0.0421 224 ILE A O +2590 C CB A ILE A 224 ? 0.9382 0.7149 0.7550 0.0054 -0.0214 0.0425 224 ILE A CB +2591 C CB B ILE A 224 ? 0.9380 0.7151 0.7551 0.0052 -0.0213 0.0425 224 ILE A CB +2592 C CG1 A ILE A 224 ? 0.9739 0.7453 0.7890 0.0053 -0.0211 0.0421 224 ILE A CG1 +2593 C CG1 B ILE A 224 ? 0.9756 0.7468 0.7905 0.0052 -0.0209 0.0422 224 ILE A CG1 +2594 C CG2 A ILE A 224 ? 0.8731 0.6420 0.6815 0.0065 -0.0209 0.0445 224 ILE A CG2 +2595 C CG2 B ILE A 224 ? 0.8704 0.6401 0.6793 0.0064 -0.0209 0.0444 224 ILE A CG2 +2596 C CD1 A ILE A 224 ? 0.9235 0.6932 0.7372 0.0102 -0.0237 0.0413 224 ILE A CD1 +2597 C CD1 B ILE A 224 ? 0.9245 0.6945 0.7383 0.0099 -0.0236 0.0414 224 ILE A CD1 +2598 N N A ARG A 225 ? 0.8980 0.6802 0.7173 -0.0028 -0.0164 0.0443 225 ARG A N +2599 N N B ARG A 225 ? 0.8967 0.6790 0.7162 -0.0030 -0.0163 0.0444 225 ARG A N +2600 C CA A ARG A 225 ? 0.9050 0.6898 0.7240 -0.0036 -0.0156 0.0451 225 ARG A CA +2601 C CA B ARG A 225 ? 0.9052 0.6899 0.7242 -0.0038 -0.0155 0.0451 225 ARG A CA +2602 C C A ARG A 225 ? 0.9823 0.7659 0.7974 0.0007 -0.0180 0.0455 225 ARG A C +2603 C C B ARG A 225 ? 0.9841 0.7675 0.7991 0.0006 -0.0179 0.0455 225 ARG A C +2604 O O A ARG A 225 ? 0.9469 0.7224 0.7544 0.0029 -0.0183 0.0467 225 ARG A O +2605 O O B ARG A 225 ? 0.9450 0.7204 0.7526 0.0029 -0.0183 0.0467 225 ARG A O +2606 C CB A ARG A 225 ? 0.9172 0.6960 0.7316 -0.0070 -0.0124 0.0468 225 ARG A CB +2607 C CB B ARG A 225 ? 0.9154 0.6941 0.7297 -0.0071 -0.0123 0.0468 225 ARG A CB +2608 C CG A ARG A 225 ? 1.0008 0.7821 0.8147 -0.0079 -0.0114 0.0476 225 ARG A CG +2609 C CG B ARG A 225 ? 1.0015 0.7829 0.8155 -0.0080 -0.0113 0.0476 225 ARG A CG +2610 C CD A ARG A 225 ? 1.0622 0.8412 0.8751 -0.0124 -0.0078 0.0486 225 ARG A CD +2611 C CD B ARG A 225 ? 1.0629 0.8420 0.8758 -0.0124 -0.0077 0.0487 225 ARG A CD +2612 N NE A ARG A 225 ? 1.1876 0.9561 0.9925 -0.0127 -0.0062 0.0502 225 ARG A NE +2613 N NE B ARG A 225 ? 1.1884 0.9571 0.9933 -0.0128 -0.0061 0.0503 225 ARG A NE +2614 C CZ A ARG A 225 ? 1.2990 1.0634 1.1034 -0.0153 -0.0045 0.0503 225 ARG A CZ +2615 C CZ B ARG A 225 ? 1.3047 1.0692 1.1090 -0.0156 -0.0043 0.0504 225 ARG A CZ +2616 N NH1 A ARG A 225 ? 1.1106 0.8804 0.9219 -0.0179 -0.0042 0.0490 225 ARG A NH1 +2617 N NH1 B ARG A 225 ? 1.1168 0.8867 0.9280 -0.0183 -0.0038 0.0491 225 ARG A NH1 +2618 N NH2 A ARG A 225 ? 1.2875 1.0417 1.0839 -0.0153 -0.0032 0.0519 225 ARG A NH2 +2619 N NH2 B ARG A 225 ? 1.2924 1.0468 1.0888 -0.0157 -0.0029 0.0520 225 ARG A NH2 +2620 N N A GLU A 226 ? 0.9191 0.7106 0.7391 0.0020 -0.0198 0.0444 226 GLU A N +2621 N N B GLU A 226 ? 0.9190 0.7104 0.7389 0.0019 -0.0196 0.0444 226 GLU A N +2622 C CA A GLU A 226 ? 0.8823 0.6742 0.6997 0.0059 -0.0223 0.0444 226 GLU A CA +2623 C CA B GLU A 226 ? 0.8802 0.6717 0.6974 0.0058 -0.0222 0.0445 226 GLU A CA +2624 C C A GLU A 226 ? 0.9058 0.7034 0.7257 0.0050 -0.0221 0.0443 226 GLU A C +2625 C C B GLU A 226 ? 0.9058 0.7031 0.7255 0.0050 -0.0220 0.0444 226 GLU A C +2626 O O A GLU A 226 ? 0.9327 0.7320 0.7517 0.0080 -0.0243 0.0440 226 GLU A O +2627 O O B GLU A 226 ? 0.9333 0.7322 0.7519 0.0081 -0.0243 0.0441 226 GLU A O +2628 C CB A GLU A 226 ? 0.9491 0.7451 0.7702 0.0094 -0.0254 0.0427 226 GLU A CB +2629 C CB B GLU A 226 ? 0.9499 0.7457 0.7709 0.0093 -0.0253 0.0428 226 GLU A CB +2630 C CG A GLU A 226 ? 1.0182 0.8089 0.8367 0.0112 -0.0260 0.0427 226 GLU A CG +2631 C CG B GLU A 226 ? 1.0203 0.8105 0.8385 0.0111 -0.0259 0.0428 226 GLU A CG +2632 C CD A GLU A 226 ? 1.1370 0.9203 0.9477 0.0153 -0.0277 0.0437 226 GLU A CD +2633 C CD B GLU A 226 ? 1.1389 0.9223 0.9495 0.0154 -0.0278 0.0436 226 GLU A CD +2634 O OE1 A GLU A 226 ? 1.1144 0.8952 0.9205 0.0160 -0.0277 0.0448 226 GLU A OE1 +2635 O OE1 B GLU A 226 ? 1.1152 0.8960 0.9212 0.0161 -0.0278 0.0448 226 GLU A OE1 +2636 O OE2 A GLU A 226 ? 1.2525 1.0325 1.0615 0.0180 -0.0291 0.0432 226 GLU A OE2 +2637 O OE2 B GLU A 226 ? 1.2578 1.0385 1.0672 0.0183 -0.0294 0.0431 226 GLU A OE2 +2638 N N A THR A 227 ? 0.8880 0.6887 0.7113 0.0010 -0.0196 0.0444 227 THR A N +2639 N N B THR A 227 ? 0.8878 0.6886 0.7111 0.0010 -0.0196 0.0445 227 THR A N +2640 C CA A THR A 227 ? 0.8948 0.7020 0.7217 0.0000 -0.0194 0.0441 227 THR A CA +2641 C CA B THR A 227 ? 0.8937 0.7007 0.7203 0.0001 -0.0194 0.0441 227 THR A CA +2642 C C A THR A 227 ? 0.8999 0.7051 0.7253 -0.0038 -0.0160 0.0453 227 THR A C +2643 C C B THR A 227 ? 0.8994 0.7044 0.7245 -0.0037 -0.0160 0.0453 227 THR A C +2644 O O A THR A 227 ? 0.8933 0.6943 0.7172 -0.0062 -0.0138 0.0460 227 THR A O +2645 O O B THR A 227 ? 0.8936 0.6942 0.7170 -0.0060 -0.0139 0.0461 227 THR A O +2646 C CB A THR A 227 ? 0.9024 0.7189 0.7383 -0.0009 -0.0204 0.0422 227 THR A CB +2647 C CB B THR A 227 ? 0.9030 0.7195 0.7386 -0.0007 -0.0205 0.0422 227 THR A CB +2648 O OG1 A THR A 227 ? 0.8376 0.6545 0.6768 -0.0035 -0.0190 0.0417 227 THR A OG1 +2649 O OG1 B THR A 227 ? 0.8396 0.6568 0.6788 -0.0033 -0.0191 0.0417 227 THR A OG1 +2650 C CG2 A THR A 227 ? 0.8740 0.6939 0.7120 0.0028 -0.0237 0.0408 227 THR A CG2 +2651 C CG2 B THR A 227 ? 0.8734 0.6931 0.7109 0.0031 -0.0239 0.0409 227 THR A CG2 +2652 N N . THR A 228 ? 0.9386 0.7473 0.7646 -0.0042 -0.0156 0.0454 228 THR A N +2653 C CA . THR A 228 ? 1.0146 0.8234 0.8407 -0.0078 -0.0124 0.0463 228 THR A CA +2654 C C . THR A 228 ? 1.0770 0.8939 0.9116 -0.0107 -0.0116 0.0450 228 THR A C +2655 O O . THR A 228 ? 0.9793 0.8019 0.8193 -0.0097 -0.0136 0.0435 228 THR A O +2656 C CB . THR A 228 ? 1.0248 0.8331 0.8472 -0.0069 -0.0122 0.0470 228 THR A CB +2657 O OG1 . THR A 228 ? 1.1293 0.9457 0.9573 -0.0062 -0.0138 0.0457 228 THR A OG1 +2658 C CG2 . THR A 228 ? 1.0612 0.8628 0.8759 -0.0032 -0.0140 0.0479 228 THR A CG2 +2659 N N . GLU A 229 ? 1.0549 0.8725 0.8906 -0.0142 -0.0087 0.0455 229 GLU A N +2660 C CA . GLU A 229 ? 1.0732 0.8979 0.9165 -0.0170 -0.0078 0.0444 229 GLU A CA +2661 C C . GLU A 229 ? 1.1305 0.9628 0.9786 -0.0162 -0.0091 0.0433 229 GLU A C +2662 O O . GLU A 229 ? 1.1911 1.0296 1.0458 -0.0176 -0.0093 0.0420 229 GLU A O +2663 C CB . GLU A 229 ? 1.1028 0.9263 0.9462 -0.0209 -0.0044 0.0452 229 GLU A CB +2664 C CG . GLU A 229 ? 1.2451 1.0702 1.0875 -0.0217 -0.0027 0.0458 229 GLU A CG +2665 C CD . GLU A 229 ? 1.6414 1.4654 1.4840 -0.0256 0.0009 0.0466 229 GLU A CD +2666 O OE1 . GLU A 229 ? 1.7900 1.6156 1.6366 -0.0281 0.0018 0.0460 229 GLU A OE1 +2667 O OE2 . GLU A 229 ? 1.9790 1.8006 1.8178 -0.0261 0.0029 0.0477 229 GLU A OE2 +2668 N N . THR A 230 ? 1.0513 0.8830 0.8961 -0.0141 -0.0100 0.0437 230 THR A N +2669 C CA . THR A 230 ? 1.2427 1.0812 1.0917 -0.0134 -0.0113 0.0426 230 THR A CA +2670 C C . THR A 230 ? 1.0102 0.8520 0.8620 -0.0107 -0.0146 0.0412 230 THR A C +2671 O O . THR A 230 ? 1.2377 1.0851 1.0931 -0.0100 -0.0158 0.0402 230 THR A O +2672 C CB . THR A 230 ? 1.0373 0.8741 0.8817 -0.0123 -0.0109 0.0434 230 THR A CB +2673 O OG1 . THR A 230 ? 1.1362 0.9670 0.9741 -0.0093 -0.0125 0.0442 230 THR A OG1 +2674 C CG2 . THR A 230 ? 0.9779 0.8125 0.8203 -0.0151 -0.0074 0.0446 230 THR A CG2 +2675 N N . GLU A 231 ? 1.0321 0.8707 0.8825 -0.0091 -0.0159 0.0411 231 GLU A N +2676 C CA . GLU A 231 ? 1.0901 0.9322 0.9434 -0.0065 -0.0189 0.0397 231 GLU A CA +2677 C C . GLU A 231 ? 0.9595 0.8031 0.8169 -0.0073 -0.0191 0.0388 231 GLU A C +2678 O O . GLU A 231 ? 0.8090 0.6489 0.6652 -0.0091 -0.0174 0.0395 231 GLU A O +2679 C CB . GLU A 231 ? 0.9382 0.7759 0.7860 -0.0028 -0.0211 0.0401 231 GLU A CB +2680 C CG . GLU A 231 ? 1.3101 1.1393 1.1512 -0.0022 -0.0203 0.0415 231 GLU A CG +2681 C CD . GLU A 231 ? 1.3568 1.1817 1.1921 0.0018 -0.0226 0.0420 231 GLU A CD +2682 O OE1 . GLU A 231 ? 1.4215 1.2503 1.2582 0.0039 -0.0249 0.0411 231 GLU A OE1 +2683 O OE2 . GLU A 231 ? 1.1142 0.9316 0.9435 0.0028 -0.0223 0.0431 231 GLU A OE2 +2684 N N A SER A 232 ? 0.7734 0.6224 0.6356 -0.0060 -0.0212 0.0373 232 SER A N +2685 N N B SER A 232 ? 0.7708 0.6199 0.6331 -0.0061 -0.0212 0.0373 232 SER A N +2686 C CA A SER A 232 ? 0.8680 0.7185 0.7339 -0.0063 -0.0216 0.0364 232 SER A CA +2687 C CA B SER A 232 ? 0.8690 0.7195 0.7349 -0.0063 -0.0216 0.0364 232 SER A CA +2688 C C A SER A 232 ? 0.8900 0.7338 0.7511 -0.0045 -0.0222 0.0370 232 SER A C +2689 C C B SER A 232 ? 0.8920 0.7359 0.7531 -0.0044 -0.0222 0.0370 232 SER A C +2690 O O A SER A 232 ? 0.8238 0.6645 0.6807 -0.0015 -0.0238 0.0374 232 SER A O +2691 O O B SER A 232 ? 0.8227 0.6636 0.6797 -0.0014 -0.0239 0.0373 232 SER A O +2692 C CB A SER A 232 ? 0.7252 0.5823 0.5965 -0.0049 -0.0238 0.0347 232 SER A CB +2693 C CB B SER A 232 ? 0.7228 0.5799 0.5941 -0.0049 -0.0237 0.0347 232 SER A CB +2694 O OG A SER A 232 ? 0.7917 0.6495 0.6658 -0.0049 -0.0242 0.0338 232 SER A OG +2695 O OG B SER A 232 ? 0.7947 0.6523 0.6684 -0.0045 -0.0244 0.0338 232 SER A OG +2696 N N A ALA A 233 ? 0.7788 0.6203 0.6404 -0.0062 -0.0209 0.0370 233 ALA A N +2697 N N B ALA A 233 ? 0.7778 0.6191 0.6392 -0.0061 -0.0209 0.0371 233 ALA A N +2698 C CA A ALA A 233 ? 0.8345 0.6699 0.6920 -0.0043 -0.0216 0.0374 233 ALA A CA +2699 C CA B ALA A 233 ? 0.8350 0.6702 0.6923 -0.0043 -0.0215 0.0375 233 ALA A CA +2700 C C A ALA A 233 ? 0.8562 0.6940 0.7156 -0.0010 -0.0243 0.0361 233 ALA A C +2701 C C B ALA A 233 ? 0.8579 0.6955 0.7171 -0.0010 -0.0243 0.0362 233 ALA A C +2702 O O A ALA A 233 ? 0.8034 0.6362 0.6589 0.0015 -0.0253 0.0364 233 ALA A O +2703 O O B ALA A 233 ? 0.8036 0.6362 0.6589 0.0015 -0.0253 0.0365 233 ALA A O +2704 C CB A ALA A 233 ? 0.7689 0.6018 0.6270 -0.0070 -0.0197 0.0375 233 ALA A CB +2705 C CB B ALA A 233 ? 0.7677 0.6006 0.6258 -0.0071 -0.0197 0.0375 233 ALA A CB +2706 N N A ASN A 234 ? 0.7659 0.6112 0.6312 -0.0007 -0.0255 0.0347 234 ASN A N +2707 N N B ASN A 234 ? 0.7660 0.6112 0.6312 -0.0008 -0.0254 0.0348 234 ASN A N +2708 C CA A ASN A 234 ? 0.7874 0.6356 0.6550 0.0023 -0.0279 0.0334 234 ASN A CA +2709 C CA B ASN A 234 ? 0.7881 0.6361 0.6556 0.0023 -0.0279 0.0335 234 ASN A CA +2710 C C A ASN A 234 ? 0.7906 0.6366 0.6541 0.0058 -0.0300 0.0337 234 ASN A C +2711 C C B ASN A 234 ? 0.7894 0.6353 0.6528 0.0058 -0.0300 0.0338 234 ASN A C +2712 O O A ASN A 234 ? 0.8231 0.6690 0.6865 0.0089 -0.0320 0.0330 234 ASN A O +2713 O O B ASN A 234 ? 0.8228 0.6688 0.6862 0.0088 -0.0320 0.0330 234 ASN A O +2714 C CB A ASN A 234 ? 0.7344 0.5910 0.6091 0.0014 -0.0284 0.0319 234 ASN A CB +2715 C CB B ASN A 234 ? 0.7335 0.5900 0.6081 0.0014 -0.0284 0.0319 234 ASN A CB +2716 C CG A ASN A 234 ? 0.8310 0.6898 0.7097 -0.0016 -0.0268 0.0314 234 ASN A CG +2717 C CG B ASN A 234 ? 0.8340 0.6927 0.7127 -0.0016 -0.0267 0.0314 234 ASN A CG +2718 O OD1 A ASN A 234 ? 0.7823 0.6370 0.6593 -0.0022 -0.0259 0.0317 234 ASN A OD1 +2719 O OD1 B ASN A 234 ? 0.7819 0.6364 0.6588 -0.0025 -0.0257 0.0318 234 ASN A OD1 +2720 N ND2 A ASN A 234 ? 0.7581 0.6231 0.6419 -0.0034 -0.0265 0.0306 234 ASN A ND2 +2721 N ND2 B ASN A 234 ? 0.7580 0.6230 0.6418 -0.0032 -0.0265 0.0305 234 ASN A ND2 +2722 N N A TYR A 235 ? 0.7794 0.6237 0.6394 0.0056 -0.0296 0.0348 235 TYR A N +2723 N N B TYR A 235 ? 0.7777 0.6219 0.6376 0.0056 -0.0295 0.0348 235 TYR A N +2724 C CA A TYR A 235 ? 0.8684 0.7098 0.7237 0.0090 -0.0316 0.0352 235 TYR A CA +2725 C CA B TYR A 235 ? 0.8679 0.7094 0.7233 0.0090 -0.0316 0.0352 235 TYR A CA +2726 C C A TYR A 235 ? 0.9036 0.7365 0.7521 0.0110 -0.0317 0.0364 235 TYR A C +2727 C C B TYR A 235 ? 0.9044 0.7375 0.7530 0.0110 -0.0318 0.0363 235 TYR A C +2728 O O A TYR A 235 ? 0.8714 0.7016 0.7158 0.0143 -0.0337 0.0366 235 TYR A O +2729 O O B TYR A 235 ? 0.8694 0.7000 0.7142 0.0144 -0.0339 0.0365 235 TYR A O +2730 C CB A TYR A 235 ? 0.8968 0.7384 0.7499 0.0081 -0.0310 0.0360 235 TYR A CB +2731 C CB B TYR A 235 ? 0.8961 0.7377 0.7492 0.0082 -0.0310 0.0360 235 TYR A CB +2732 C CG A TYR A 235 ? 0.9839 0.8337 0.8431 0.0074 -0.0318 0.0347 235 TYR A CG +2733 C CG B TYR A 235 ? 0.9849 0.8347 0.8441 0.0074 -0.0318 0.0347 235 TYR A CG +2734 C CD1 A TYR A 235 ? 1.0033 0.8579 0.8661 0.0098 -0.0344 0.0331 235 TYR A CD1 +2735 C CD1 B TYR A 235 ? 1.0033 0.8581 0.8664 0.0096 -0.0343 0.0331 235 TYR A CD1 +2736 C CD2 A TYR A 235 ? 0.9382 0.7908 0.7997 0.0043 -0.0299 0.0349 235 TYR A CD2 +2737 C CD2 B TYR A 235 ? 0.9384 0.7907 0.7994 0.0044 -0.0299 0.0350 235 TYR A CD2 +2738 C CE1 A TYR A 235 ? 1.0857 0.9474 0.9539 0.0089 -0.0350 0.0318 235 TYR A CE1 +2739 C CE1 B TYR A 235 ? 1.0882 0.9501 0.9567 0.0087 -0.0349 0.0318 235 TYR A CE1 +2740 C CE2 A TYR A 235 ? 0.9995 0.8591 0.8663 0.0037 -0.0306 0.0336 235 TYR A CE2 +2741 C CE2 B TYR A 235 ? 1.0039 0.8632 0.8701 0.0037 -0.0306 0.0337 235 TYR A CE2 +2742 C CZ A TYR A 235 ? 1.0265 0.8905 0.8965 0.0059 -0.0331 0.0321 235 TYR A CZ +2743 C CZ B TYR A 235 ? 1.0270 0.8909 0.8970 0.0058 -0.0330 0.0322 235 TYR A CZ +2744 O OH A TYR A 235 ? 0.9491 0.8198 0.8242 0.0052 -0.0338 0.0309 235 TYR A OH +2745 O OH B TYR A 235 ? 0.9509 0.8214 0.8259 0.0050 -0.0336 0.0310 235 TYR A OH +2746 N N A GLY A 236 ? 0.8330 0.6616 0.6801 0.0090 -0.0297 0.0371 236 GLY A N +2747 N N B GLY A 236 ? 0.8336 0.6623 0.6806 0.0090 -0.0297 0.0371 236 GLY A N +2748 C CA A GLY A 236 ? 0.8501 0.6703 0.6907 0.0107 -0.0297 0.0381 236 GLY A CA +2749 C CA B GLY A 236 ? 0.8499 0.6703 0.6906 0.0107 -0.0297 0.0381 236 GLY A CA +2750 C C A GLY A 236 ? 0.8433 0.6635 0.6849 0.0139 -0.0318 0.0370 236 GLY A C +2751 C C B GLY A 236 ? 0.8436 0.6640 0.6854 0.0138 -0.0318 0.0370 236 GLY A C +2752 O O A GLY A 236 ? 0.8415 0.6546 0.6776 0.0159 -0.0321 0.0378 236 GLY A O +2753 O O B GLY A 236 ? 0.8408 0.6541 0.6770 0.0159 -0.0321 0.0377 236 GLY A O +2754 N N A TYR A 237 ? 0.8614 0.6892 0.7099 0.0144 -0.0331 0.0352 237 TYR A N +2755 N N B TYR A 237 ? 0.8629 0.6909 0.7116 0.0142 -0.0330 0.0352 237 TYR A N +2756 C CA A TYR A 237 ? 0.8299 0.6589 0.6800 0.0176 -0.0352 0.0340 237 TYR A CA +2757 C CA B TYR A 237 ? 0.8306 0.6597 0.6808 0.0175 -0.0351 0.0340 237 TYR A CA +2758 C C A TYR A 237 ? 0.8664 0.7012 0.7192 0.0204 -0.0379 0.0329 237 TYR A C +2759 C C B TYR A 237 ? 0.8676 0.7023 0.7203 0.0203 -0.0378 0.0329 237 TYR A C +2760 O O A TYR A 237 ? 0.8135 0.6544 0.6704 0.0188 -0.0378 0.0323 237 TYR A O +2761 O O B TYR A 237 ? 0.8130 0.6537 0.6698 0.0188 -0.0378 0.0323 237 TYR A O +2762 C CB A TYR A 237 ? 0.7642 0.5973 0.6202 0.0159 -0.0344 0.0327 237 TYR A CB +2763 C CB B TYR A 237 ? 0.7626 0.5958 0.6188 0.0159 -0.0344 0.0327 237 TYR A CB +2764 C CG A TYR A 237 ? 0.7683 0.6043 0.6271 0.0193 -0.0366 0.0312 237 TYR A CG +2765 C CG B TYR A 237 ? 0.7676 0.6037 0.6265 0.0194 -0.0366 0.0311 237 TYR A CG +2766 C CD1 A TYR A 237 ? 0.7939 0.6243 0.6491 0.0218 -0.0371 0.0313 237 TYR A CD1 +2767 C CD1 B TYR A 237 ? 0.7940 0.6244 0.6492 0.0217 -0.0371 0.0312 237 TYR A CD1 +2768 C CD2 A TYR A 237 ? 0.7343 0.5787 0.5992 0.0202 -0.0381 0.0296 237 TYR A CD2 +2769 C CD2 B TYR A 237 ? 0.7341 0.5784 0.5989 0.0204 -0.0382 0.0296 237 TYR A CD2 +2770 C CE1 A TYR A 237 ? 0.7433 0.5767 0.6011 0.0252 -0.0391 0.0298 237 TYR A CE1 +2771 C CE1 B TYR A 237 ? 0.7404 0.5737 0.5983 0.0251 -0.0391 0.0298 237 TYR A CE1 +2772 C CE2 A TYR A 237 ? 0.7514 0.5989 0.6191 0.0233 -0.0401 0.0281 237 TYR A CE2 +2773 C CE2 B TYR A 237 ? 0.7516 0.5988 0.6191 0.0235 -0.0401 0.0281 237 TYR A CE2 +2774 C CZ A TYR A 237 ? 0.7535 0.5955 0.6177 0.0259 -0.0406 0.0282 237 TYR A CZ +2775 C CZ B TYR A 237 ? 0.7529 0.5948 0.6170 0.0259 -0.0406 0.0282 237 TYR A CZ +2776 O OH A TYR A 237 ? 0.7949 0.6405 0.6622 0.0291 -0.0424 0.0267 237 TYR A OH +2777 O OH B TYR A 237 ? 0.7964 0.6417 0.6636 0.0292 -0.0424 0.0267 237 TYR A OH +2778 N N A LYS A 238 ? 0.8419 0.6748 0.6923 0.0245 -0.0402 0.0325 238 LYS A N +2779 N N B LYS A 238 ? 0.8403 0.6730 0.6906 0.0245 -0.0402 0.0325 238 LYS A N +2780 C CA A LYS A 238 ? 0.9341 0.7721 0.7868 0.0275 -0.0430 0.0313 238 LYS A CA +2781 C CA B LYS A 238 ? 0.9360 0.7737 0.7885 0.0275 -0.0430 0.0314 238 LYS A CA +2782 C C A LYS A 238 ? 0.8369 0.6791 0.6942 0.0300 -0.0447 0.0296 238 LYS A C +2783 C C B LYS A 238 ? 0.8367 0.6787 0.6939 0.0299 -0.0446 0.0296 238 LYS A C +2784 O O A LYS A 238 ? 0.8334 0.6710 0.6880 0.0320 -0.0450 0.0297 238 LYS A O +2785 O O B LYS A 238 ? 0.8340 0.6713 0.6883 0.0319 -0.0449 0.0298 238 LYS A O +2786 C CB A LYS A 238 ? 0.9350 0.7672 0.7804 0.0306 -0.0447 0.0324 238 LYS A CB +2787 C CB B LYS A 238 ? 0.9342 0.7660 0.7793 0.0306 -0.0446 0.0325 238 LYS A CB +2788 C CG A LYS A 238 ? 1.1229 0.9552 0.9661 0.0291 -0.0442 0.0334 238 LYS A CG +2789 C CG B LYS A 238 ? 1.1247 0.9566 0.9676 0.0292 -0.0443 0.0334 238 LYS A CG +2790 C CD A LYS A 238 ? 1.1670 0.9943 1.0068 0.0254 -0.0410 0.0351 238 LYS A CD +2791 C CD B LYS A 238 ? 1.1694 0.9962 1.0087 0.0256 -0.0410 0.0352 238 LYS A CD +2792 C CE A LYS A 238 ? 1.3153 1.1434 1.1534 0.0239 -0.0404 0.0358 238 LYS A CE +2793 C CE B LYS A 238 ? 1.3177 1.1458 1.1558 0.0240 -0.0405 0.0358 238 LYS A CE +2794 N NZ A LYS A 238 ? 1.3581 1.1953 1.2038 0.0219 -0.0405 0.0344 238 LYS A NZ +2795 N NZ B LYS A 238 ? 1.3616 1.1988 1.2075 0.0220 -0.0405 0.0343 238 LYS A NZ +2796 N N A PHE A 239 ? 0.8241 0.6749 0.6882 0.0298 -0.0458 0.0279 239 PHE A N +2797 N N B PHE A 239 ? 0.8241 0.6747 0.6882 0.0297 -0.0457 0.0280 239 PHE A N +2798 C CA A PHE A 239 ? 0.8057 0.6615 0.6751 0.0318 -0.0471 0.0261 239 PHE A CA +2799 C CA B PHE A 239 ? 0.8056 0.6612 0.6749 0.0316 -0.0469 0.0261 239 PHE A CA +2800 C C A PHE A 239 ? 0.8521 0.7048 0.7181 0.0366 -0.0496 0.0258 239 PHE A C +2801 C C B PHE A 239 ? 0.8507 0.7030 0.7165 0.0365 -0.0494 0.0259 239 PHE A C +2802 O O A PHE A 239 ? 0.8188 0.6712 0.6822 0.0391 -0.0517 0.0259 239 PHE A O +2803 O O B PHE A 239 ? 0.8127 0.6641 0.6755 0.0390 -0.0515 0.0261 239 PHE A O +2804 C CB A PHE A 239 ? 0.6557 0.5209 0.5323 0.0309 -0.0480 0.0244 239 PHE A CB +2805 C CB B PHE A 239 ? 0.6514 0.5163 0.5278 0.0310 -0.0479 0.0245 239 PHE A CB +2806 C CG A PHE A 239 ? 0.7477 0.6187 0.6301 0.0329 -0.0492 0.0225 239 PHE A CG +2807 C CG B PHE A 239 ? 0.7470 0.6178 0.6292 0.0329 -0.0492 0.0225 239 PHE A CG +2808 C CD1 A PHE A 239 ? 0.6884 0.5602 0.5737 0.0316 -0.0476 0.0219 239 PHE A CD1 +2809 C CD1 B PHE A 239 ? 0.6863 0.5580 0.5715 0.0317 -0.0476 0.0219 239 PHE A CD1 +2810 C CD2 A PHE A 239 ? 0.9059 0.7818 0.7909 0.0358 -0.0519 0.0211 239 PHE A CD2 +2811 C CD2 B PHE A 239 ? 0.9093 0.7849 0.7941 0.0358 -0.0519 0.0211 239 PHE A CD2 +2812 C CE1 A PHE A 239 ? 0.7817 0.6588 0.6723 0.0334 -0.0485 0.0201 239 PHE A CE1 +2813 C CE1 B PHE A 239 ? 0.7834 0.6605 0.6739 0.0335 -0.0486 0.0201 239 PHE A CE1 +2814 C CE2 A PHE A 239 ? 0.7713 0.6529 0.6620 0.0375 -0.0529 0.0192 239 PHE A CE2 +2815 C CE2 B PHE A 239 ? 0.7707 0.6522 0.6612 0.0375 -0.0529 0.0192 239 PHE A CE2 +2816 C CZ A PHE A 239 ? 0.7747 0.6569 0.6681 0.0363 -0.0511 0.0187 239 PHE A CZ +2817 C CZ B PHE A 239 ? 0.7749 0.6570 0.6682 0.0364 -0.0512 0.0188 239 PHE A CZ +2818 N N A GLY A 240 ? 0.8820 0.7323 0.7477 0.0381 -0.0494 0.0255 240 GLY A N +2819 N N B GLY A 240 ? 0.8815 0.7320 0.7476 0.0379 -0.0492 0.0254 240 GLY A N +2820 C CA A GLY A 240 ? 0.9254 0.7725 0.7879 0.0429 -0.0517 0.0252 240 GLY A CA +2821 C CA B GLY A 240 ? 0.9261 0.7736 0.7891 0.0427 -0.0515 0.0251 240 GLY A CA +2822 C C A GLY A 240 ? 0.9344 0.7709 0.7879 0.0443 -0.0513 0.0271 240 GLY A C +2823 C C B GLY A 240 ? 0.9349 0.7717 0.7888 0.0442 -0.0513 0.0270 240 GLY A C +2824 O O A GLY A 240 ? 1.0750 0.9080 0.9253 0.0485 -0.0531 0.0269 240 GLY A O +2825 O O B GLY A 240 ? 1.0774 0.9110 0.9282 0.0485 -0.0532 0.0268 240 GLY A O +2826 N N A GLN A 241 ? 0.8735 0.7045 0.7226 0.0411 -0.0490 0.0288 241 GLN A N +2827 N N B GLN A 241 ? 0.8718 0.7031 0.7214 0.0410 -0.0489 0.0287 241 GLN A N +2828 C CA A GLN A 241 ? 0.8646 0.6851 0.7048 0.0422 -0.0486 0.0307 241 GLN A CA +2829 C CA B GLN A 241 ? 0.8630 0.6838 0.7036 0.0422 -0.0485 0.0306 241 GLN A CA +2830 C C A GLN A 241 ? 0.9871 0.8026 0.8254 0.0436 -0.0481 0.0306 241 GLN A C +2831 C C B GLN A 241 ? 0.9880 0.8039 0.8267 0.0438 -0.0481 0.0305 241 GLN A C +2832 O O A GLN A 241 ? 0.9499 0.7689 0.7932 0.0419 -0.0469 0.0296 241 GLN A O +2833 O O B GLN A 241 ? 0.9490 0.7684 0.7928 0.0423 -0.0471 0.0294 241 GLN A O +2834 C CB A GLN A 241 ? 0.8070 0.6234 0.6438 0.0379 -0.0458 0.0325 241 GLN A CB +2835 C CB B GLN A 241 ? 0.8094 0.6259 0.6466 0.0379 -0.0457 0.0324 241 GLN A CB +2836 C CG A GLN A 241 ? 0.9106 0.7274 0.7506 0.0337 -0.0429 0.0325 241 GLN A CG +2837 C CG B GLN A 241 ? 0.9079 0.7245 0.7480 0.0337 -0.0428 0.0324 241 GLN A CG +2838 C CD A GLN A 241 ? 0.8732 0.6855 0.7097 0.0296 -0.0401 0.0343 241 GLN A CD +2839 C CD B GLN A 241 ? 0.8732 0.6856 0.7099 0.0296 -0.0401 0.0342 241 GLN A CD +2840 O OE1 A GLN A 241 ? 0.8706 0.6848 0.7070 0.0281 -0.0397 0.0348 241 GLN A OE1 +2841 O OE1 B GLN A 241 ? 0.8715 0.6859 0.7081 0.0283 -0.0399 0.0347 241 GLN A OE1 +2842 N NE2 A GLN A 241 ? 0.9101 0.7165 0.7439 0.0277 -0.0380 0.0350 241 GLN A NE2 +2843 N NE2 B GLN A 241 ? 0.9099 0.7163 0.7437 0.0276 -0.0379 0.0350 241 GLN A NE2 +2844 N N A GLU A 242 ? 1.0046 0.8117 0.8352 0.0469 -0.0490 0.0317 242 GLU A N +2845 N N B GLU A 242 ? 1.0037 0.8108 0.8345 0.0469 -0.0490 0.0316 242 GLU A N +2846 C CA A GLU A 242 ? 1.0060 0.8079 0.8342 0.0491 -0.0490 0.0315 242 GLU A CA +2847 C CA B GLU A 242 ? 1.0041 0.8058 0.8322 0.0492 -0.0490 0.0315 242 GLU A CA +2848 C C A GLU A 242 ? 1.0075 0.8034 0.8332 0.0452 -0.0458 0.0326 242 GLU A C +2849 C C B GLU A 242 ? 1.0088 0.8043 0.8342 0.0454 -0.0459 0.0326 242 GLU A C +2850 O O A GLU A 242 ? 0.9378 0.7326 0.7648 0.0453 -0.0452 0.0318 242 GLU A O +2851 O O B GLU A 242 ? 0.9333 0.7274 0.7597 0.0458 -0.0453 0.0319 242 GLU A O +2852 C CB A GLU A 242 ? 1.0319 0.8261 0.8521 0.0539 -0.0511 0.0324 242 GLU A CB +2853 C CB B GLU A 242 ? 1.0285 0.8227 0.8488 0.0540 -0.0512 0.0324 242 GLU A CB +2854 C CG A GLU A 242 ? 1.2964 1.0959 1.1186 0.0583 -0.0547 0.0313 242 GLU A CG +2855 C CG B GLU A 242 ? 1.2973 1.0971 1.1197 0.0584 -0.0547 0.0312 242 GLU A CG +2856 C CD A GLU A 242 ? 1.6280 1.4294 1.4523 0.0628 -0.0568 0.0296 242 GLU A CD +2857 C CD B GLU A 242 ? 1.6332 1.4342 1.4573 0.0630 -0.0568 0.0296 242 GLU A CD +2858 O OE1 A GLU A 242 ? 1.6954 1.4976 1.5229 0.0618 -0.0554 0.0288 242 GLU A OE1 +2859 O OE1 B GLU A 242 ? 1.7039 1.5053 1.5308 0.0621 -0.0554 0.0289 242 GLU A OE1 +2860 O OE2 A GLU A 242 ? 1.7327 1.5346 1.5555 0.0675 -0.0598 0.0291 242 GLU A OE2 +2861 O OE2 B GLU A 242 ? 1.7353 1.5371 1.5580 0.0676 -0.0598 0.0291 242 GLU A OE2 +2862 N N A GLU A 243 ? 0.9126 0.7045 0.7347 0.0418 -0.0439 0.0343 243 GLU A N +2863 N N B GLU A 243 ? 0.9102 0.7017 0.7320 0.0419 -0.0438 0.0343 243 GLU A N +2864 C CA A GLU A 243 ? 1.0057 0.7908 0.8243 0.0383 -0.0409 0.0354 243 GLU A CA +2865 C CA B GLU A 243 ? 1.0050 0.7896 0.8233 0.0384 -0.0410 0.0355 243 GLU A CA +2866 C C A GLU A 243 ? 0.9413 0.7329 0.7670 0.0335 -0.0388 0.0347 243 GLU A C +2867 C C B GLU A 243 ? 0.9421 0.7328 0.7672 0.0335 -0.0387 0.0348 243 GLU A C +2868 O O A GLU A 243 ? 0.9480 0.7474 0.7791 0.0318 -0.0389 0.0341 243 GLU A O +2869 O O B GLU A 243 ? 0.9470 0.7454 0.7774 0.0318 -0.0388 0.0342 243 GLU A O +2870 C CB A GLU A 243 ? 1.0206 0.7977 0.8314 0.0370 -0.0397 0.0377 243 GLU A CB +2871 C CB B GLU A 243 ? 1.0208 0.7971 0.8310 0.0373 -0.0398 0.0377 243 GLU A CB +2872 C CG A GLU A 243 ? 1.2518 1.0327 1.0628 0.0371 -0.0406 0.0381 243 GLU A CG +2873 C CG B GLU A 243 ? 1.2563 1.0366 1.0670 0.0370 -0.0404 0.0382 243 GLU A CG +2874 C CD A GLU A 243 ? 1.3729 1.1534 1.1811 0.0426 -0.0440 0.0378 243 GLU A CD +2875 C CD B GLU A 243 ? 1.3766 1.1572 1.1849 0.0422 -0.0438 0.0379 243 GLU A CD +2876 O OE1 A GLU A 243 ? 1.4475 1.2197 1.2485 0.0458 -0.0448 0.0387 243 GLU A OE1 +2877 O OE1 B GLU A 243 ? 1.4501 1.2230 1.2516 0.0457 -0.0449 0.0386 243 GLU A OE1 +2878 O OE2 A GLU A 243 ? 1.2096 0.9982 1.0227 0.0437 -0.0459 0.0367 243 GLU A OE2 +2879 O OE2 B GLU A 243 ? 1.2127 1.0015 1.0262 0.0428 -0.0454 0.0368 243 GLU A OE2 +2880 N N A GLU A 244 ? 0.8890 0.6769 0.7142 0.0314 -0.0370 0.0347 244 GLU A N +2881 N N B GLU A 244 ? 0.8902 0.6772 0.7148 0.0313 -0.0369 0.0348 244 GLU A N +2882 C CA A GLU A 244 ? 0.9295 0.7221 0.7604 0.0268 -0.0349 0.0341 244 GLU A CA +2883 C CA B GLU A 244 ? 0.9300 0.7219 0.7603 0.0266 -0.0348 0.0342 244 GLU A CA +2884 C C A GLU A 244 ? 1.0072 0.7997 0.8372 0.0228 -0.0330 0.0354 244 GLU A C +2885 C C B GLU A 244 ? 1.0101 0.8023 0.8398 0.0227 -0.0329 0.0355 244 GLU A C +2886 O O A GLU A 244 ? 0.8772 0.6632 0.7008 0.0229 -0.0325 0.0371 244 GLU A O +2887 O O B GLU A 244 ? 0.8747 0.6605 0.6980 0.0229 -0.0325 0.0372 244 GLU A O +2888 C CB A GLU A 244 ? 0.9524 0.7397 0.7816 0.0255 -0.0334 0.0339 244 GLU A CB +2889 C CB B GLU A 244 ? 0.9539 0.7405 0.7826 0.0251 -0.0332 0.0341 244 GLU A CB +2890 C CG A GLU A 244 ? 1.0098 0.8028 0.8457 0.0220 -0.0320 0.0326 244 GLU A CG +2891 C CG B GLU A 244 ? 1.0117 0.8044 0.8473 0.0217 -0.0318 0.0328 244 GLU A CG +2892 C CD A GLU A 244 ? 0.9629 0.7670 0.8070 0.0223 -0.0332 0.0310 244 GLU A CD +2893 C CD B GLU A 244 ? 0.9650 0.7686 0.8086 0.0222 -0.0331 0.0312 244 GLU A CD +2894 O OE1 A GLU A 244 ? 0.9180 0.7268 0.7646 0.0203 -0.0328 0.0314 244 GLU A OE1 +2895 O OE1 B GLU A 244 ? 0.9191 0.7275 0.7653 0.0204 -0.0329 0.0315 244 GLU A OE1 +2896 O OE2 A GLU A 244 ? 0.9486 0.7566 0.7963 0.0246 -0.0343 0.0295 244 GLU A OE2 +2897 O OE2 B GLU A 244 ? 0.9492 0.7565 0.7964 0.0244 -0.0342 0.0296 244 GLU A OE2 +2898 N N A THR A 245 ? 0.9281 0.7281 0.7648 0.0194 -0.0319 0.0346 245 THR A N +2899 N N B THR A 245 ? 0.9287 0.7282 0.7650 0.0193 -0.0319 0.0347 245 THR A N +2900 C CA A THR A 245 ? 0.9179 0.7196 0.7551 0.0160 -0.0304 0.0356 245 THR A CA +2901 C CA B THR A 245 ? 0.9185 0.7200 0.7554 0.0159 -0.0303 0.0357 245 THR A CA +2902 C C A THR A 245 ? 0.8782 0.6767 0.7147 0.0114 -0.0275 0.0363 245 THR A C +2903 C C B THR A 245 ? 0.8770 0.6754 0.7134 0.0113 -0.0275 0.0364 245 THR A C +2904 O O A THR A 245 ? 0.9269 0.7257 0.7630 0.0085 -0.0260 0.0373 245 THR A O +2905 O O B THR A 245 ? 0.9285 0.7274 0.7647 0.0084 -0.0259 0.0373 245 THR A O +2906 C CB A THR A 245 ? 0.8972 0.7094 0.7420 0.0154 -0.0312 0.0343 245 THR A CB +2907 C CB B THR A 245 ? 0.8979 0.7098 0.7424 0.0154 -0.0312 0.0344 245 THR A CB +2908 O OG1 A THR A 245 ? 0.8725 0.6860 0.7165 0.0137 -0.0306 0.0353 245 THR A OG1 +2909 O OG1 B THR A 245 ? 0.8743 0.6876 0.7182 0.0135 -0.0304 0.0353 245 THR A OG1 +2910 C CG2 A THR A 245 ? 0.8104 0.6275 0.6613 0.0122 -0.0299 0.0331 245 THR A CG2 +2911 C CG2 B THR A 245 ? 0.8092 0.6261 0.6599 0.0124 -0.0300 0.0331 245 THR A CG2 +2912 N N A TYR A 246 ? 0.8878 0.6832 0.7241 0.0107 -0.0268 0.0358 246 TYR A N +2913 N N B TYR A 246 ? 0.8875 0.6827 0.7236 0.0106 -0.0267 0.0359 246 TYR A N +2914 C CA A TYR A 246 ? 0.9022 0.6941 0.7377 0.0064 -0.0242 0.0364 246 TYR A CA +2915 C CA B TYR A 246 ? 0.9028 0.6946 0.7382 0.0063 -0.0242 0.0365 246 TYR A CA +2916 C C A TYR A 246 ? 0.8689 0.6516 0.6985 0.0074 -0.0239 0.0369 246 TYR A C +2917 C C B TYR A 246 ? 0.8681 0.6504 0.6974 0.0072 -0.0238 0.0370 246 TYR A C +2918 O O A TYR A 246 ? 0.8911 0.6715 0.7186 0.0114 -0.0257 0.0364 246 TYR A O +2919 O O B TYR A 246 ? 0.8960 0.6755 0.7228 0.0112 -0.0256 0.0366 246 TYR A O +2920 C CB A TYR A 246 ? 0.8674 0.6666 0.7103 0.0035 -0.0236 0.0349 246 TYR A CB +2921 C CB B TYR A 246 ? 0.8677 0.6667 0.7104 0.0034 -0.0235 0.0350 246 TYR A CB +2922 C CG A TYR A 246 ? 0.8311 0.6312 0.6762 0.0053 -0.0246 0.0334 246 TYR A CG +2923 C CG B TYR A 246 ? 0.8291 0.6291 0.6741 0.0052 -0.0246 0.0334 246 TYR A CG +2924 C CD1 A TYR A 246 ? 0.8757 0.6806 0.7236 0.0091 -0.0268 0.0323 246 TYR A CD1 +2925 C CD1 B TYR A 246 ? 0.8747 0.6800 0.7229 0.0088 -0.0267 0.0322 246 TYR A CD1 +2926 C CD2 A TYR A 246 ? 0.8713 0.6675 0.7156 0.0033 -0.0234 0.0331 246 TYR A CD2 +2927 C CD2 B TYR A 246 ? 0.8708 0.6668 0.7149 0.0033 -0.0234 0.0331 246 TYR A CD2 +2928 C CE1 A TYR A 246 ? 0.9989 0.8048 0.8489 0.0109 -0.0277 0.0308 246 TYR A CE1 +2929 C CE1 B TYR A 246 ? 1.0016 0.8081 0.8521 0.0105 -0.0275 0.0308 246 TYR A CE1 +2930 C CE2 A TYR A 246 ? 0.9034 0.7002 0.7494 0.0051 -0.0243 0.0316 246 TYR A CE2 +2931 C CE2 B TYR A 246 ? 0.9028 0.6996 0.7488 0.0051 -0.0243 0.0317 246 TYR A CE2 +2932 C CZ A TYR A 246 ? 1.0460 0.8478 0.8950 0.0089 -0.0264 0.0305 246 TYR A CZ +2933 C CZ B TYR A 246 ? 1.0484 0.8505 0.8976 0.0088 -0.0263 0.0305 246 TYR A CZ +2934 O OH A TYR A 246 ? 1.1615 0.9642 1.0123 0.0109 -0.0271 0.0291 246 TYR A OH +2935 O OH B TYR A 246 ? 1.1641 0.9674 1.0153 0.0106 -0.0271 0.0290 246 TYR A OH +2936 N N A ASN A 247 ? 0.9085 0.6861 0.7356 0.0036 -0.0216 0.0377 247 ASN A N +2937 N N B ASN A 247 ? 0.9096 0.6872 0.7368 0.0034 -0.0215 0.0377 247 ASN A N +2938 C CA A ASN A 247 ? 0.9250 0.6928 0.7459 0.0037 -0.0208 0.0383 247 ASN A CA +2939 C CA B ASN A 247 ? 0.9260 0.6938 0.7469 0.0036 -0.0207 0.0383 247 ASN A CA +2940 C C A ASN A 247 ? 0.9390 0.7082 0.7637 0.0019 -0.0203 0.0368 247 ASN A C +2941 C C B ASN A 247 ? 0.9422 0.7112 0.7667 0.0017 -0.0202 0.0369 247 ASN A C +2942 O O A ASN A 247 ? 0.8823 0.6528 0.7095 -0.0025 -0.0184 0.0367 247 ASN A O +2943 O O B ASN A 247 ? 0.8825 0.6522 0.7091 -0.0026 -0.0183 0.0368 247 ASN A O +2944 C CB A ASN A 247 ? 0.8637 0.6247 0.6792 0.0007 -0.0184 0.0402 247 ASN A CB +2945 C CB B ASN A 247 ? 0.8622 0.6230 0.6776 0.0006 -0.0184 0.0402 247 ASN A CB +2946 C CG A ASN A 247 ? 0.9676 0.7174 0.7757 0.0008 -0.0175 0.0410 247 ASN A CG +2947 C CG B ASN A 247 ? 0.9694 0.7192 0.7776 0.0006 -0.0175 0.0410 247 ASN A CG +2948 O OD1 A ASN A 247 ? 0.8353 0.5828 0.6434 0.0016 -0.0181 0.0400 247 ASN A OD1 +2949 O OD1 B ASN A 247 ? 0.8317 0.5798 0.6404 0.0013 -0.0180 0.0399 247 ASN A OD1 +2950 N ND2 A ASN A 247 ? 0.9052 0.6477 0.7068 -0.0002 -0.0161 0.0429 247 ASN A ND2 +2951 N ND2 B ASN A 247 ? 0.9041 0.6462 0.7055 -0.0004 -0.0160 0.0428 247 ASN A ND2 +2952 N N A ILE A 248 ? 0.8189 0.5879 0.6439 0.0053 -0.0220 0.0356 248 ILE A N +2953 N N B ILE A 248 ? 0.8158 0.5851 0.6410 0.0052 -0.0219 0.0356 248 ILE A N +2954 C CA A ILE A 248 ? 0.8548 0.6250 0.6830 0.0039 -0.0216 0.0342 248 ILE A CA +2955 C CA B ILE A 248 ? 0.8525 0.6229 0.6808 0.0038 -0.0216 0.0342 248 ILE A CA +2956 C C A ILE A 248 ? 0.9785 0.7398 0.8017 0.0011 -0.0197 0.0348 248 ILE A C +2957 C C B ILE A 248 ? 0.9811 0.7423 0.8042 0.0012 -0.0198 0.0348 248 ILE A C +2958 O O A ILE A 248 ? 0.9800 0.7426 0.8062 -0.0021 -0.0187 0.0339 248 ILE A O +2959 O O B ILE A 248 ? 0.9889 0.7511 0.8148 -0.0015 -0.0189 0.0338 248 ILE A O +2960 C CB A ILE A 248 ? 0.8774 0.6494 0.7070 0.0084 -0.0237 0.0327 248 ILE A CB +2961 C CB B ILE A 248 ? 0.8746 0.6469 0.7043 0.0084 -0.0237 0.0328 248 ILE A CB +2962 C CG1 A ILE A 248 ? 1.0670 0.8425 0.9012 0.0067 -0.0233 0.0310 248 ILE A CG1 +2963 C CG1 B ILE A 248 ? 1.0700 0.8454 0.9041 0.0069 -0.0234 0.0310 248 ILE A CG1 +2964 C CG2 A ILE A 248 ? 0.9039 0.6664 0.7261 0.0119 -0.0244 0.0334 248 ILE A CG2 +2965 C CG2 B ILE A 248 ? 0.9016 0.6646 0.7238 0.0121 -0.0246 0.0335 248 ILE A CG2 +2966 C CD1 A ILE A 248 ? 0.9405 0.7203 0.7779 0.0107 -0.0252 0.0293 248 ILE A CD1 +2967 C CD1 B ILE A 248 ? 0.9407 0.7202 0.7779 0.0109 -0.0252 0.0294 248 ILE A CD1 +2968 N N A VAL A 249 ? 0.8972 0.6493 0.7128 0.0020 -0.0193 0.0364 249 VAL A N +2969 N N B VAL A 249 ? 0.8967 0.6489 0.7123 0.0018 -0.0192 0.0365 249 VAL A N +2970 C CA A VAL A 249 ? 0.9321 0.6752 0.7427 -0.0009 -0.0174 0.0371 249 VAL A CA +2971 C CA B VAL A 249 ? 0.9325 0.6757 0.7431 -0.0010 -0.0173 0.0371 249 VAL A CA +2972 C C A VAL A 249 ? 0.8778 0.6231 0.6910 -0.0066 -0.0150 0.0375 249 VAL A C +2973 C C B VAL A 249 ? 0.8770 0.6225 0.6903 -0.0067 -0.0150 0.0375 249 VAL A C +2974 O O A VAL A 249 ? 0.8629 0.6061 0.6767 -0.0100 -0.0137 0.0369 249 VAL A O +2975 O O B VAL A 249 ? 0.8608 0.6043 0.6749 -0.0100 -0.0137 0.0369 249 VAL A O +2976 C CB A VAL A 249 ? 0.9900 0.7223 0.7913 0.0015 -0.0173 0.0388 249 VAL A CB +2977 C CB B VAL A 249 ? 0.9908 0.7232 0.7921 0.0013 -0.0173 0.0388 249 VAL A CB +2978 C CG1 A VAL A 249 ? 0.9686 0.6912 0.7645 -0.0017 -0.0152 0.0395 249 VAL A CG1 +2979 C CG1 B VAL A 249 ? 0.9664 0.6890 0.7624 -0.0015 -0.0153 0.0394 249 VAL A CG1 +2980 C CG2 A VAL A 249 ? 0.9912 0.7217 0.7903 0.0073 -0.0198 0.0382 249 VAL A CG2 +2981 C CG2 B VAL A 249 ? 0.9998 0.7308 0.7990 0.0073 -0.0198 0.0383 249 VAL A CG2 +2982 N N A ALA A 250 ? 0.8750 0.6251 0.6903 -0.0076 -0.0146 0.0383 250 ALA A N +2983 N N B ALA A 250 ? 0.8741 0.6238 0.6891 -0.0078 -0.0145 0.0384 250 ALA A N +2984 C CA A ALA A 250 ? 0.9635 0.7169 0.7821 -0.0128 -0.0124 0.0386 250 ALA A CA +2985 C CA B ALA A 250 ? 0.9650 0.7183 0.7835 -0.0130 -0.0123 0.0386 250 ALA A CA +2986 C C A ALA A 250 ? 0.9415 0.7038 0.7682 -0.0148 -0.0127 0.0367 250 ALA A C +2987 C C B ALA A 250 ? 0.9434 0.7056 0.7700 -0.0149 -0.0127 0.0367 250 ALA A C +2988 O O A ALA A 250 ? 0.9046 0.6676 0.7335 -0.0191 -0.0111 0.0363 250 ALA A O +2989 O O B ALA A 250 ? 0.9060 0.6692 0.7351 -0.0192 -0.0111 0.0364 250 ALA A O +2990 C CB A ALA A 250 ? 0.8682 0.6243 0.6867 -0.0131 -0.0119 0.0399 250 ALA A CB +2991 C CB B ALA A 250 ? 0.8670 0.6232 0.6855 -0.0132 -0.0118 0.0399 250 ALA A CB +2992 N N A ALA A 251 ? 0.8635 0.6327 0.6947 -0.0118 -0.0147 0.0355 251 ALA A N +2993 N N B ALA A 251 ? 0.8625 0.6314 0.6934 -0.0117 -0.0147 0.0355 251 ALA A N +2994 C CA A ALA A 251 ? 0.9323 0.7094 0.7707 -0.0134 -0.0150 0.0338 251 ALA A CA +2995 C CA B ALA A 251 ? 0.9346 0.7115 0.7728 -0.0133 -0.0150 0.0338 251 ALA A CA +2996 C C A ALA A 251 ? 0.9167 0.6895 0.7541 -0.0147 -0.0147 0.0327 251 ALA A C +2997 C C B ALA A 251 ? 0.9187 0.6915 0.7561 -0.0145 -0.0147 0.0327 251 ALA A C +2998 O O A ALA A 251 ? 0.8038 0.5794 0.6448 -0.0183 -0.0137 0.0319 251 ALA A O +2999 O O B ALA A 251 ? 0.8027 0.5782 0.6436 -0.0182 -0.0137 0.0319 251 ALA A O +3000 C CB A ALA A 251 ? 0.7762 0.5604 0.6187 -0.0096 -0.0172 0.0327 251 ALA A CB +3001 C CB B ALA A 251 ? 0.7734 0.5576 0.6158 -0.0096 -0.0172 0.0328 251 ALA A CB +3002 N N A HIS A 252 ? 0.8695 0.6355 0.7020 -0.0115 -0.0155 0.0327 252 HIS A N +3003 N N B HIS A 252 ? 0.8685 0.6347 0.7010 -0.0114 -0.0156 0.0327 252 HIS A N +3004 C CA A HIS A 252 ? 0.9122 0.6731 0.7429 -0.0125 -0.0152 0.0318 252 HIS A CA +3005 C CA B HIS A 252 ? 0.9116 0.6725 0.7422 -0.0123 -0.0153 0.0318 252 HIS A CA +3006 C C A HIS A 252 ? 0.9198 0.6747 0.7475 -0.0171 -0.0130 0.0325 252 HIS A C +3007 C C B HIS A 252 ? 0.9208 0.6759 0.7486 -0.0170 -0.0131 0.0325 252 HIS A C +3008 O O A HIS A 252 ? 0.8653 0.6201 0.6948 -0.0201 -0.0123 0.0315 252 HIS A O +3009 O O B HIS A 252 ? 0.8645 0.6195 0.6941 -0.0199 -0.0124 0.0314 252 HIS A O +3010 C CB A HIS A 252 ? 0.8887 0.6428 0.7139 -0.0078 -0.0165 0.0318 252 HIS A CB +3011 C CB B HIS A 252 ? 0.8869 0.6410 0.7120 -0.0077 -0.0165 0.0318 252 HIS A CB +3012 C CG A HIS A 252 ? 1.0690 0.8163 0.8910 -0.0084 -0.0161 0.0310 252 HIS A CG +3013 C CG B HIS A 252 ? 1.0718 0.8191 0.8938 -0.0083 -0.0162 0.0310 252 HIS A CG +3014 N ND1 A HIS A 252 ? 1.0145 0.7657 0.8408 -0.0095 -0.0164 0.0292 252 HIS A ND1 +3015 N ND1 B HIS A 252 ? 1.0133 0.7644 0.8394 -0.0088 -0.0166 0.0291 252 HIS A ND1 +3016 C CD2 A HIS A 252 ? 0.9628 0.6994 0.7775 -0.0078 -0.0156 0.0317 252 HIS A CD2 +3017 C CD2 B HIS A 252 ? 0.9583 0.6949 0.7731 -0.0084 -0.0154 0.0318 252 HIS A CD2 +3018 C CE1 A HIS A 252 ? 0.9889 0.7321 0.8108 -0.0097 -0.0160 0.0288 252 HIS A CE1 +3019 C CE1 B HIS A 252 ? 0.9876 0.7308 0.8093 -0.0092 -0.0162 0.0287 252 HIS A CE1 +3020 N NE2 A HIS A 252 ? 1.0327 0.7669 0.8475 -0.0087 -0.0155 0.0303 252 HIS A NE2 +3021 N NE2 B HIS A 252 ? 1.0333 0.7675 0.8481 -0.0090 -0.0154 0.0303 252 HIS A NE2 +3022 N N A GLY A 253 ? 0.8802 0.6301 0.7033 -0.0179 -0.0118 0.0344 253 GLY A N +3023 N N B GLY A 253 ? 0.8790 0.6292 0.7023 -0.0178 -0.0119 0.0343 253 GLY A N +3024 C CA A GLY A 253 ? 0.9111 0.6555 0.7315 -0.0225 -0.0095 0.0352 253 GLY A CA +3025 C CA B GLY A 253 ? 0.9100 0.6547 0.7305 -0.0224 -0.0096 0.0351 253 GLY A CA +3026 C C A GLY A 253 ? 0.9298 0.6817 0.7567 -0.0272 -0.0083 0.0345 253 GLY A C +3027 C C B GLY A 253 ? 0.9312 0.6832 0.7582 -0.0271 -0.0084 0.0345 253 GLY A C +3028 O O A GLY A 253 ? 0.9063 0.6558 0.7334 -0.0312 -0.0070 0.0341 253 GLY A O +3029 O O B GLY A 253 ? 0.9083 0.6577 0.7353 -0.0311 -0.0069 0.0342 253 GLY A O +3030 N N A TYR A 254 ? 0.8916 0.6526 0.7240 -0.0267 -0.0090 0.0343 254 TYR A N +3031 N N B TYR A 254 ? 0.8919 0.6531 0.7244 -0.0266 -0.0090 0.0343 254 TYR A N +3032 C CA A TYR A 254 ? 0.7954 0.5645 0.6346 -0.0304 -0.0082 0.0335 254 TYR A CA +3033 C CA B TYR A 254 ? 0.7936 0.5627 0.6328 -0.0304 -0.0082 0.0335 254 TYR A CA +3034 C C A TYR A 254 ? 0.8570 0.6295 0.7004 -0.0310 -0.0092 0.0315 254 TYR A C +3035 C C B TYR A 254 ? 0.8581 0.6307 0.7015 -0.0310 -0.0091 0.0315 254 TYR A C +3036 O O A TYR A 254 ? 0.8263 0.5993 0.6718 -0.0349 -0.0082 0.0307 254 TYR A O +3037 O O B TYR A 254 ? 0.8270 0.6001 0.6725 -0.0350 -0.0081 0.0308 254 TYR A O +3038 C CB A TYR A 254 ? 0.8027 0.5803 0.6463 -0.0292 -0.0088 0.0338 254 TYR A CB +3039 C CB B TYR A 254 ? 0.8024 0.5800 0.6460 -0.0293 -0.0088 0.0338 254 TYR A CB +3040 C CG A TYR A 254 ? 0.7661 0.5528 0.6172 -0.0320 -0.0087 0.0326 254 TYR A CG +3041 C CG B TYR A 254 ? 0.7659 0.5524 0.6169 -0.0323 -0.0085 0.0326 254 TYR A CG +3042 C CD1 A TYR A 254 ? 0.7669 0.5553 0.6199 -0.0363 -0.0068 0.0330 254 TYR A CD1 +3043 C CD1 B TYR A 254 ? 0.7671 0.5552 0.6200 -0.0366 -0.0066 0.0330 254 TYR A CD1 +3044 C CD2 A TYR A 254 ? 0.7851 0.5784 0.6411 -0.0304 -0.0103 0.0310 254 TYR A CD2 +3045 C CD2 B TYR A 254 ? 0.7867 0.5799 0.6427 -0.0307 -0.0102 0.0311 254 TYR A CD2 +3046 C CE1 A TYR A 254 ? 0.7669 0.5634 0.6266 -0.0388 -0.0068 0.0318 254 TYR A CE1 +3047 C CE1 B TYR A 254 ? 0.7665 0.5628 0.6261 -0.0390 -0.0066 0.0319 254 TYR A CE1 +3048 C CE2 A TYR A 254 ? 0.7942 0.5952 0.6565 -0.0329 -0.0102 0.0300 254 TYR A CE2 +3049 C CE2 B TYR A 254 ? 0.7951 0.5960 0.6574 -0.0332 -0.0101 0.0301 254 TYR A CE2 +3050 C CZ A TYR A 254 ? 0.7702 0.5728 0.6344 -0.0370 -0.0085 0.0304 254 TYR A CZ +3051 C CZ B TYR A 254 ? 0.7721 0.5746 0.6362 -0.0373 -0.0084 0.0305 254 TYR A CZ +3052 O OH A TYR A 254 ? 0.7636 0.5738 0.6340 -0.0393 -0.0085 0.0293 254 TYR A OH +3053 O OH B TYR A 254 ? 0.7649 0.5749 0.6351 -0.0395 -0.0084 0.0294 254 TYR A OH +3054 N N A PHE A 255 ? 0.8557 0.6309 0.7004 -0.0271 -0.0111 0.0305 255 PHE A N +3055 N N B PHE A 255 ? 0.8569 0.6322 0.7017 -0.0272 -0.0111 0.0305 255 PHE A N +3056 C CA A PHE A 255 ? 0.8000 0.5798 0.6492 -0.0275 -0.0120 0.0286 255 PHE A CA +3057 C CA B PHE A 255 ? 0.7964 0.5762 0.6456 -0.0277 -0.0119 0.0286 255 PHE A CA +3058 C C A PHE A 255 ? 0.8813 0.6538 0.7270 -0.0287 -0.0117 0.0279 255 PHE A C +3059 C C B PHE A 255 ? 0.8810 0.6535 0.7266 -0.0286 -0.0117 0.0279 255 PHE A C +3060 O O A PHE A 255 ? 0.8431 0.6180 0.6919 -0.0311 -0.0116 0.0265 255 PHE A O +3061 O O B PHE A 255 ? 0.8413 0.6162 0.6900 -0.0309 -0.0117 0.0265 255 PHE A O +3062 C CB A PHE A 255 ? 0.9374 0.7224 0.7891 -0.0232 -0.0139 0.0278 255 PHE A CB +3063 C CB B PHE A 255 ? 0.9387 0.7239 0.7906 -0.0234 -0.0139 0.0278 255 PHE A CB +3064 C CG A PHE A 255 ? 0.9553 0.7455 0.8118 -0.0235 -0.0147 0.0259 255 PHE A CG +3065 C CG B PHE A 255 ? 0.9561 0.7465 0.8127 -0.0238 -0.0146 0.0259 255 PHE A CG +3066 C CD1 A PHE A 255 ? 0.8981 0.6956 0.7602 -0.0265 -0.0143 0.0252 255 PHE A CD1 +3067 C CD1 B PHE A 255 ? 0.8981 0.6949 0.7600 -0.0272 -0.0141 0.0252 255 PHE A CD1 +3068 C CD2 A PHE A 255 ? 1.0004 0.7882 0.8555 -0.0208 -0.0157 0.0248 255 PHE A CD2 +3069 C CD2 B PHE A 255 ? 1.0031 0.7921 0.8588 -0.0207 -0.0158 0.0248 255 PHE A CD2 +3070 C CE1 A PHE A 255 ? 0.9538 0.7557 0.8198 -0.0268 -0.0150 0.0235 255 PHE A CE1 +3071 C CE1 B PHE A 255 ? 0.9597 0.7609 0.8254 -0.0275 -0.0148 0.0235 255 PHE A CE1 +3072 C CE2 A PHE A 255 ? 0.9648 0.7572 0.8239 -0.0212 -0.0163 0.0230 255 PHE A CE2 +3073 C CE2 B PHE A 255 ? 0.9656 0.7590 0.8252 -0.0211 -0.0164 0.0231 255 PHE A CE2 +3074 C CZ A PHE A 255 ? 0.8588 0.6581 0.7231 -0.0242 -0.0160 0.0225 255 PHE A CZ +3075 C CZ B PHE A 255 ? 0.8555 0.6550 0.7201 -0.0245 -0.0159 0.0225 255 PHE A CZ +3076 N N A GLY A 256 ? 1.0308 0.7941 0.8697 -0.0268 -0.0115 0.0287 256 GLY A N +3077 N N B GLY A 256 ? 1.0353 0.7987 0.8742 -0.0268 -0.0115 0.0288 256 GLY A N +3078 C CA A GLY A 256 ? 0.9145 0.6700 0.7495 -0.0282 -0.0110 0.0281 256 GLY A CA +3079 C CA B GLY A 256 ? 0.9146 0.6701 0.7494 -0.0281 -0.0110 0.0282 256 GLY A CA +3080 C C A GLY A 256 ? 0.8682 0.6220 0.7035 -0.0337 -0.0092 0.0282 256 GLY A C +3081 C C B GLY A 256 ? 0.8661 0.6201 0.7015 -0.0337 -0.0092 0.0282 256 GLY A C +3082 O O A GLY A 256 ? 0.9512 0.7024 0.7864 -0.0359 -0.0090 0.0270 256 GLY A O +3083 O O B GLY A 256 ? 0.9526 0.7044 0.7882 -0.0358 -0.0091 0.0269 256 GLY A O +3084 N N A ARG A 257 ? 0.8498 0.6051 0.6858 -0.0361 -0.0078 0.0295 257 ARG A N +3085 N N B ARG A 257 ? 0.8495 0.6048 0.6855 -0.0361 -0.0078 0.0295 257 ARG A N +3086 C CA A ARG A 257 ? 0.8582 0.6126 0.6953 -0.0415 -0.0060 0.0295 257 ARG A CA +3087 C CA B ARG A 257 ? 0.8580 0.6125 0.6951 -0.0415 -0.0060 0.0295 257 ARG A CA +3088 C C A ARG A 257 ? 0.8987 0.6628 0.7435 -0.0440 -0.0064 0.0280 257 ARG A C +3089 C C B ARG A 257 ? 0.9008 0.6651 0.7457 -0.0440 -0.0063 0.0281 257 ARG A C +3090 O O A ARG A 257 ? 0.8497 0.6136 0.6961 -0.0480 -0.0056 0.0271 257 ARG A O +3091 O O B ARG A 257 ? 0.8510 0.6152 0.6976 -0.0482 -0.0054 0.0273 257 ARG A O +3092 C CB A ARG A 257 ? 0.8014 0.5531 0.6358 -0.0433 -0.0041 0.0314 257 ARG A CB +3093 C CB B ARG A 257 ? 0.7995 0.5511 0.6338 -0.0433 -0.0041 0.0314 257 ARG A CB +3094 C CG A ARG A 257 ? 0.8590 0.5991 0.6848 -0.0419 -0.0034 0.0328 257 ARG A CG +3095 C CG B ARG A 257 ? 0.8575 0.5975 0.6832 -0.0419 -0.0034 0.0328 257 ARG A CG +3096 C CD A ARG A 257 ? 0.9519 0.6886 0.7743 -0.0434 -0.0015 0.0348 257 ARG A CD +3097 C CD B ARG A 257 ? 0.9527 0.6890 0.7750 -0.0437 -0.0013 0.0348 257 ARG A CD +3098 N NE A ARG A 257 ? 0.9867 0.7117 0.8005 -0.0423 -0.0007 0.0360 257 ARG A NE +3099 N NE B ARG A 257 ? 0.9861 0.7107 0.7997 -0.0425 -0.0007 0.0360 257 ARG A NE +3100 C CZ A ARG A 257 ? 1.0803 0.8007 0.8889 -0.0375 -0.0019 0.0370 257 ARG A CZ +3101 C CZ B ARG A 257 ? 1.0825 0.8028 0.8911 -0.0377 -0.0018 0.0370 257 ARG A CZ +3102 N NH1 A ARG A 257 ? 0.9524 0.6793 0.7639 -0.0335 -0.0038 0.0369 257 ARG A NH1 +3103 N NH1 B ARG A 257 ? 0.9507 0.6776 0.7622 -0.0338 -0.0037 0.0368 257 ARG A NH1 +3104 N NH2 A ARG A 257 ? 1.0352 0.7443 0.8356 -0.0367 -0.0012 0.0381 257 ARG A NH2 +3105 N NH2 B ARG A 257 ? 1.0330 0.7420 0.8335 -0.0368 -0.0012 0.0380 257 ARG A NH2 +3106 N N A LEU A 258 ? 0.8862 0.6588 0.7357 -0.0417 -0.0076 0.0277 258 LEU A N +3107 N N B LEU A 258 ? 0.8867 0.6594 0.7363 -0.0416 -0.0076 0.0277 258 LEU A N +3108 C CA A LEU A 258 ? 0.8752 0.6569 0.7317 -0.0436 -0.0081 0.0263 258 LEU A CA +3109 C CA B LEU A 258 ? 0.8760 0.6578 0.7326 -0.0435 -0.0081 0.0264 258 LEU A CA +3110 C C A LEU A 258 ? 0.8339 0.6149 0.6913 -0.0442 -0.0090 0.0245 258 LEU A C +3111 C C B LEU A 258 ? 0.8335 0.6148 0.6911 -0.0441 -0.0090 0.0245 258 LEU A C +3112 O O A LEU A 258 ? 0.8683 0.6524 0.7293 -0.0477 -0.0087 0.0234 258 LEU A O +3113 O O B LEU A 258 ? 0.8688 0.6534 0.7300 -0.0476 -0.0087 0.0234 258 LEU A O +3114 C CB A LEU A 258 ? 0.8582 0.6479 0.7187 -0.0404 -0.0093 0.0264 258 LEU A CB +3115 C CB B LEU A 258 ? 0.8582 0.6481 0.7188 -0.0404 -0.0093 0.0264 258 LEU A CB +3116 C CG A LEU A 258 ? 0.8264 0.6257 0.6939 -0.0418 -0.0099 0.0252 258 LEU A CG +3117 C CG B LEU A 258 ? 0.8269 0.6263 0.6945 -0.0417 -0.0099 0.0251 258 LEU A CG +3118 C CD1 A LEU A 258 ? 0.7604 0.5625 0.6307 -0.0463 -0.0084 0.0255 258 LEU A CD1 +3119 C CD1 B LEU A 258 ? 0.7588 0.5614 0.6294 -0.0461 -0.0085 0.0255 258 LEU A CD1 +3120 C CD2 A LEU A 258 ? 0.8520 0.6580 0.7225 -0.0385 -0.0111 0.0253 258 LEU A CD2 +3121 C CD2 B LEU A 258 ? 0.8531 0.6590 0.7235 -0.0383 -0.0111 0.0253 258 LEU A CD2 +3122 N N A ILE A 259 ? 0.7979 0.5748 0.6521 -0.0406 -0.0101 0.0240 259 ILE A N +3123 N N B ILE A 259 ? 0.7961 0.5731 0.6503 -0.0407 -0.0101 0.0240 259 ILE A N +3124 C CA A ILE A 259 ? 0.8489 0.6241 0.7030 -0.0409 -0.0109 0.0222 259 ILE A CA +3125 C CA B ILE A 259 ? 0.8473 0.6227 0.7015 -0.0409 -0.0109 0.0222 259 ILE A CA +3126 C C A ILE A 259 ? 0.8841 0.6483 0.7315 -0.0416 -0.0102 0.0225 259 ILE A C +3127 C C B ILE A 259 ? 0.8842 0.6487 0.7318 -0.0416 -0.0102 0.0225 259 ILE A C +3128 O O A ILE A 259 ? 0.9050 0.6657 0.7513 -0.0457 -0.0088 0.0227 259 ILE A O +3129 O O B ILE A 259 ? 0.9045 0.6654 0.7510 -0.0457 -0.0089 0.0226 259 ILE A O +3130 C CB A ILE A 259 ? 0.9083 0.6868 0.7636 -0.0365 -0.0126 0.0213 259 ILE A CB +3131 C CB B ILE A 259 ? 0.9095 0.6883 0.7651 -0.0365 -0.0126 0.0213 259 ILE A CB +3132 C CG1 A ILE A 259 ? 0.9033 0.6915 0.7642 -0.0352 -0.0132 0.0215 259 ILE A CG1 +3133 C CG1 B ILE A 259 ? 0.9033 0.6916 0.7643 -0.0352 -0.0132 0.0215 259 ILE A CG1 +3134 C CG2 A ILE A 259 ? 0.8741 0.6527 0.7306 -0.0371 -0.0134 0.0193 259 ILE A CG2 +3135 C CG2 B ILE A 259 ? 0.8729 0.6518 0.7296 -0.0372 -0.0134 0.0193 259 ILE A CG2 +3136 C CD1 A ILE A 259 ? 0.8847 0.6805 0.7516 -0.0385 -0.0132 0.0205 259 ILE A CD1 +3137 C CD1 B ILE A 259 ? 0.8833 0.6792 0.7502 -0.0386 -0.0131 0.0207 259 ILE A CD1 +3138 N N A PHE A 260 ? 0.8566 0.6154 0.6995 -0.0376 -0.0110 0.0226 260 PHE A N +3139 N N B PHE A 260 ? 0.8560 0.6151 0.6991 -0.0376 -0.0110 0.0225 260 PHE A N +3140 C CA A PHE A 260 ? 0.8665 0.6143 0.7021 -0.0373 -0.0103 0.0233 260 PHE A CA +3141 C CA B PHE A 260 ? 0.8664 0.6145 0.7023 -0.0373 -0.0103 0.0232 260 PHE A CA +3142 C C A PHE A 260 ? 0.9535 0.6985 0.7855 -0.0318 -0.0113 0.0240 260 PHE A C +3143 C C B PHE A 260 ? 0.9552 0.7005 0.7875 -0.0318 -0.0113 0.0239 260 PHE A C +3144 O O A PHE A 260 ? 0.9123 0.6639 0.7479 -0.0286 -0.0126 0.0235 260 PHE A O +3145 O O B PHE A 260 ? 0.9111 0.6630 0.7469 -0.0286 -0.0126 0.0234 260 PHE A O +3146 C CB A PHE A 260 ? 0.8990 0.6413 0.7325 -0.0393 -0.0103 0.0218 260 PHE A CB +3147 C CB B PHE A 260 ? 0.8983 0.6410 0.7321 -0.0392 -0.0103 0.0217 260 PHE A CB +3148 C CG A PHE A 260 ? 0.9507 0.6963 0.7864 -0.0369 -0.0118 0.0199 260 PHE A CG +3149 C CG B PHE A 260 ? 0.9509 0.6969 0.7868 -0.0367 -0.0119 0.0198 260 PHE A CG +3150 C CD1 A PHE A 260 ? 1.0448 0.7861 0.8767 -0.0322 -0.0128 0.0196 260 PHE A CD1 +3151 C CD1 B PHE A 260 ? 1.0467 0.7882 0.8788 -0.0321 -0.0129 0.0196 260 PHE A CD1 +3152 C CD2 A PHE A 260 ? 0.9042 0.6571 0.7456 -0.0392 -0.0123 0.0184 260 PHE A CD2 +3153 C CD2 B PHE A 260 ? 0.9007 0.6543 0.7425 -0.0389 -0.0124 0.0183 260 PHE A CD2 +3154 C CE1 A PHE A 260 ? 1.0429 0.7873 0.8768 -0.0300 -0.0140 0.0179 260 PHE A CE1 +3155 C CE1 B PHE A 260 ? 1.0414 0.7860 0.8754 -0.0298 -0.0141 0.0178 260 PHE A CE1 +3156 C CE2 A PHE A 260 ? 1.0458 0.8015 0.8889 -0.0370 -0.0136 0.0167 260 PHE A CE2 +3157 C CE2 B PHE A 260 ? 1.0449 0.8013 0.8884 -0.0366 -0.0137 0.0167 260 PHE A CE2 +3158 C CZ A PHE A 260 ? 1.0875 0.8390 0.9269 -0.0325 -0.0144 0.0164 260 PHE A CZ +3159 C CZ B PHE A 260 ? 1.0858 0.8378 0.9255 -0.0321 -0.0145 0.0164 260 PHE A CZ +3160 N N A GLN A 261 ? 0.9154 0.6506 0.7404 -0.0308 -0.0107 0.0252 261 GLN A N +3161 N N B GLN A 261 ? 0.9124 0.6480 0.7377 -0.0308 -0.0107 0.0251 261 GLN A N +3162 C CA A GLN A 261 ? 1.0262 0.7585 0.8474 -0.0258 -0.0115 0.0263 261 GLN A CA +3163 C CA B GLN A 261 ? 1.0262 0.7588 0.8476 -0.0259 -0.0115 0.0263 261 GLN A CA +3164 C C A GLN A 261 ? 0.9881 0.7235 0.8108 -0.0211 -0.0134 0.0250 261 GLN A C +3165 C C B GLN A 261 ? 0.9868 0.7222 0.8096 -0.0212 -0.0134 0.0250 261 GLN A C +3166 O O A GLN A 261 ? 0.9703 0.7097 0.7942 -0.0173 -0.0144 0.0254 261 GLN A O +3167 O O B GLN A 261 ? 0.9694 0.7088 0.7934 -0.0173 -0.0144 0.0254 261 GLN A O +3168 C CB A GLN A 261 ? 1.0246 0.7447 0.8374 -0.0256 -0.0106 0.0275 261 GLN A CB +3169 C CB B GLN A 261 ? 1.0233 0.7438 0.8364 -0.0257 -0.0106 0.0275 261 GLN A CB +3170 C CG A GLN A 261 ? 1.0870 0.8027 0.8949 -0.0201 -0.0117 0.0285 261 GLN A CG +3171 C CG B GLN A 261 ? 1.0837 0.8001 0.8920 -0.0204 -0.0115 0.0286 261 GLN A CG +3172 C CD A GLN A 261 ? 1.1663 0.8692 0.9652 -0.0200 -0.0107 0.0298 261 GLN A CD +3173 C CD B GLN A 261 ? 1.1682 0.8717 0.9676 -0.0201 -0.0107 0.0298 261 GLN A CD +3174 O OE1 A GLN A 261 ? 1.0817 0.7787 0.8781 -0.0241 -0.0091 0.0298 261 GLN A OE1 +3175 O OE1 B GLN A 261 ? 1.0804 0.7778 0.8771 -0.0240 -0.0092 0.0297 261 GLN A OE1 +3176 N NE2 A GLN A 261 ? 1.0915 0.7901 0.8857 -0.0153 -0.0116 0.0309 261 GLN A NE2 +3177 N NE2 B GLN A 261 ? 1.0892 0.7885 0.8838 -0.0154 -0.0115 0.0309 261 GLN A NE2 +3178 N N A TYR A 262 ? 0.9578 0.6915 0.7805 -0.0214 -0.0137 0.0233 262 TYR A N +3179 N N B TYR A 262 ? 0.9556 0.6890 0.7781 -0.0214 -0.0137 0.0233 262 TYR A N +3180 C CA A TYR A 262 ? 1.0577 0.7928 0.8808 -0.0170 -0.0152 0.0220 262 TYR A CA +3181 C CA B TYR A 262 ? 1.0574 0.7921 0.8803 -0.0170 -0.0152 0.0220 262 TYR A CA +3182 C C A TYR A 262 ? 1.0537 0.8000 0.8844 -0.0166 -0.0161 0.0207 262 TYR A C +3183 C C B TYR A 262 ? 1.0548 0.8008 0.8853 -0.0166 -0.0161 0.0208 262 TYR A C +3184 O O A TYR A 262 ? 1.0514 0.8001 0.8833 -0.0129 -0.0172 0.0197 262 TYR A O +3185 O O B TYR A 262 ? 1.0506 0.7991 0.8823 -0.0130 -0.0172 0.0196 262 TYR A O +3186 C CB A TYR A 262 ? 1.1431 0.8700 0.9618 -0.0172 -0.0151 0.0208 262 TYR A CB +3187 C CB B TYR A 262 ? 1.1416 0.8684 0.9602 -0.0172 -0.0151 0.0208 262 TYR A CB +3188 C CG A TYR A 262 ? 1.2413 0.9567 1.0522 -0.0179 -0.0142 0.0221 262 TYR A CG +3189 C CG B TYR A 262 ? 1.2422 0.9574 1.0531 -0.0180 -0.0141 0.0221 262 TYR A CG +3190 C CD1 A TYR A 262 ? 1.2159 0.9253 1.0214 -0.0134 -0.0147 0.0232 262 TYR A CD1 +3191 C CD1 B TYR A 262 ? 1.2155 0.9246 1.0209 -0.0135 -0.0146 0.0232 262 TYR A CD1 +3192 C CD2 A TYR A 262 ? 1.2930 1.0036 1.1022 -0.0230 -0.0127 0.0223 262 TYR A CD2 +3193 C CD2 B TYR A 262 ? 1.2944 1.0050 1.1036 -0.0232 -0.0126 0.0223 262 TYR A CD2 +3194 C CE1 A TYR A 262 ? 1.3250 1.0234 1.1230 -0.0140 -0.0137 0.0245 262 TYR A CE1 +3195 C CE1 B TYR A 262 ? 1.3263 1.0245 1.1242 -0.0142 -0.0137 0.0245 262 TYR A CE1 +3196 C CE2 A TYR A 262 ? 1.3611 1.0607 1.1629 -0.0239 -0.0116 0.0236 262 TYR A CE2 +3197 C CE2 B TYR A 262 ? 1.3625 1.0622 1.1644 -0.0241 -0.0115 0.0236 262 TYR A CE2 +3198 C CZ A TYR A 262 ? 1.3425 1.0358 1.1386 -0.0193 -0.0121 0.0248 262 TYR A CZ +3199 C CZ B TYR A 262 ? 1.3429 1.0362 1.1390 -0.0195 -0.0120 0.0248 262 TYR A CZ +3200 O OH A TYR A 262 ? 1.4179 1.0999 1.2062 -0.0200 -0.0110 0.0261 262 TYR A OH +3201 O OH B TYR A 262 ? 1.4188 1.1009 1.2073 -0.0203 -0.0109 0.0261 262 TYR A OH +3202 N N A ALA A 263 ? 0.9541 0.7071 0.7898 -0.0203 -0.0155 0.0209 263 ALA A N +3203 N N B ALA A 263 ? 0.9528 0.7056 0.7883 -0.0202 -0.0155 0.0209 263 ALA A N +3204 C CA A ALA A 263 ? 1.0068 0.7704 0.8494 -0.0199 -0.0162 0.0200 263 ALA A CA +3205 C CA B ALA A 263 ? 1.0068 0.7702 0.8492 -0.0199 -0.0162 0.0200 263 ALA A CA +3206 C C A ALA A 263 ? 1.0197 0.7888 0.8645 -0.0175 -0.0167 0.0212 263 ALA A C +3207 C C B ALA A 263 ? 1.0208 0.7897 0.8655 -0.0174 -0.0167 0.0212 263 ALA A C +3208 O O A ALA A 263 ? 0.9948 0.7727 0.8453 -0.0175 -0.0172 0.0207 263 ALA A O +3209 O O B ALA A 263 ? 0.9922 0.7698 0.8425 -0.0170 -0.0173 0.0206 263 ALA A O +3210 C CB A ALA A 263 ? 0.9579 0.7262 0.8048 -0.0248 -0.0155 0.0194 263 ALA A CB +3211 C CB B ALA A 263 ? 0.9565 0.7245 0.8032 -0.0249 -0.0155 0.0195 263 ALA A CB +3212 N N A SER A 264 ? 0.9696 0.7334 0.8099 -0.0154 -0.0167 0.0227 264 SER A N +3213 N N B SER A 264 ? 0.9683 0.7320 0.8085 -0.0156 -0.0166 0.0227 264 SER A N +3214 C CA A SER A 264 ? 1.0224 0.7905 0.8641 -0.0134 -0.0171 0.0238 264 SER A CA +3215 C CA B SER A 264 ? 1.0226 0.7905 0.8642 -0.0135 -0.0171 0.0239 264 SER A CA +3216 C C A SER A 264 ? 0.9686 0.7339 0.8071 -0.0080 -0.0184 0.0240 264 SER A C +3217 C C B SER A 264 ? 0.9676 0.7327 0.8061 -0.0081 -0.0184 0.0240 264 SER A C +3218 O O A SER A 264 ? 1.0514 0.8088 0.8847 -0.0062 -0.0185 0.0239 264 SER A O +3219 O O B SER A 264 ? 1.0537 0.8106 0.8867 -0.0064 -0.0184 0.0240 264 SER A O +3220 C CB A SER A 264 ? 0.9530 0.7180 0.7923 -0.0161 -0.0158 0.0256 264 SER A CB +3221 C CB B SER A 264 ? 0.9530 0.7175 0.7919 -0.0161 -0.0158 0.0257 264 SER A CB +3222 O OG A SER A 264 ? 0.9394 0.7076 0.7792 -0.0138 -0.0164 0.0268 264 SER A OG +3223 O OG B SER A 264 ? 0.9378 0.7061 0.7777 -0.0141 -0.0163 0.0268 264 SER A OG +3224 N N A PHE A 265 ? 0.9923 0.7645 0.8344 -0.0054 -0.0194 0.0241 265 PHE A N +3225 N N B PHE A 265 ? 0.9927 0.7647 0.8347 -0.0053 -0.0195 0.0240 265 PHE A N +3226 C CA A PHE A 265 ? 1.0142 0.7855 0.8544 -0.0001 -0.0209 0.0241 265 PHE A CA +3227 C CA B PHE A 265 ? 1.0136 0.7843 0.8535 -0.0001 -0.0209 0.0241 265 PHE A CA +3228 C C A PHE A 265 ? 1.0277 0.7944 0.8633 0.0011 -0.0209 0.0260 265 PHE A C +3229 C C B PHE A 265 ? 1.0268 0.7926 0.8620 0.0010 -0.0208 0.0260 265 PHE A C +3230 O O A PHE A 265 ? 1.1050 0.8746 0.9420 -0.0011 -0.0203 0.0271 265 PHE A O +3231 O O B PHE A 265 ? 1.1162 0.8843 0.9524 -0.0015 -0.0201 0.0271 265 PHE A O +3232 C CB A PHE A 265 ? 0.9558 0.7371 0.8023 0.0021 -0.0220 0.0232 265 PHE A CB +3233 C CB B PHE A 265 ? 0.9551 0.7356 0.8011 0.0023 -0.0221 0.0231 265 PHE A CB +3234 C CG A PHE A 265 ? 1.0048 0.7905 0.8553 0.0021 -0.0222 0.0212 265 PHE A CG +3235 C CG B PHE A 265 ? 1.0056 0.7907 0.8557 0.0024 -0.0223 0.0212 265 PHE A CG +3236 C CD1 A PHE A 265 ? 0.9685 0.7519 0.8175 0.0058 -0.0230 0.0201 265 PHE A CD1 +3237 C CD1 B PHE A 265 ? 0.9689 0.7516 0.8175 0.0061 -0.0231 0.0201 265 PHE A CD1 +3238 C CD2 A PHE A 265 ? 0.9802 0.7726 0.8361 -0.0012 -0.0216 0.0205 265 PHE A CD2 +3239 C CD2 B PHE A 265 ? 0.9806 0.7724 0.8361 -0.0009 -0.0217 0.0205 265 PHE A CD2 +3240 C CE1 A PHE A 265 ? 1.0712 0.8587 0.9238 0.0060 -0.0231 0.0184 265 PHE A CE1 +3241 C CE1 B PHE A 265 ? 1.0765 0.8634 0.9286 0.0063 -0.0231 0.0183 265 PHE A CE1 +3242 C CE2 A PHE A 265 ? 0.9269 0.7232 0.7861 -0.0010 -0.0218 0.0188 265 PHE A CE2 +3243 C CE2 B PHE A 265 ? 0.9247 0.7205 0.7836 -0.0007 -0.0218 0.0188 265 PHE A CE2 +3244 C CZ A PHE A 265 ? 0.9609 0.7547 0.8185 0.0025 -0.0224 0.0177 265 PHE A CZ +3245 C CZ B PHE A 265 ? 0.9638 0.7571 0.8210 0.0029 -0.0225 0.0177 265 PHE A CZ +3246 N N A ASN A 266 ? 0.9920 0.7515 0.8219 0.0047 -0.0216 0.0264 266 ASN A N +3247 N N B ASN A 266 ? 0.9886 0.7476 0.8183 0.0048 -0.0217 0.0264 266 ASN A N +3248 C CA A ASN A 266 ? 1.0757 0.8318 0.9015 0.0068 -0.0221 0.0281 266 ASN A CA +3249 C CA B ASN A 266 ? 1.0792 0.8347 0.9046 0.0070 -0.0221 0.0280 266 ASN A CA +3250 C C A ASN A 266 ? 1.0022 0.7609 0.8285 0.0125 -0.0242 0.0276 266 ASN A C +3251 C C B ASN A 266 ? 1.0048 0.7629 0.8307 0.0126 -0.0242 0.0276 266 ASN A C +3252 O O A ASN A 266 ? 1.0499 0.8064 0.8729 0.0149 -0.0250 0.0289 266 ASN A O +3253 O O B ASN A 266 ? 1.0508 0.8073 0.8739 0.0149 -0.0250 0.0288 266 ASN A O +3254 C CB A ASN A 266 ? 1.1292 0.8735 0.9468 0.0060 -0.0211 0.0295 266 ASN A CB +3255 C CB B ASN A 266 ? 1.1296 0.8732 0.9468 0.0062 -0.0211 0.0294 266 ASN A CB +3256 C CG A ASN A 266 ? 1.1065 0.8435 0.9194 0.0094 -0.0218 0.0288 266 ASN A CG +3257 C CG B ASN A 266 ? 1.1079 0.8443 0.9204 0.0096 -0.0218 0.0287 266 ASN A CG +3258 O OD1 A ASN A 266 ? 1.2272 0.9677 1.0432 0.0113 -0.0226 0.0271 266 ASN A OD1 +3259 O OD1 B ASN A 266 ? 1.2340 0.9740 1.0498 0.0115 -0.0226 0.0270 266 ASN A OD1 +3260 N ND2 A ASN A 266 ? 1.3273 1.0537 1.1323 0.0100 -0.0213 0.0301 266 ASN A ND2 +3261 N ND2 B ASN A 266 ? 1.3367 1.0625 1.1413 0.0104 -0.0214 0.0300 266 ASN A ND2 +3262 N N A ASN A 267 ? 0.8849 0.6481 0.7150 0.0146 -0.0251 0.0259 267 ASN A N +3263 N N B ASN A 267 ? 0.8788 0.6411 0.7083 0.0148 -0.0251 0.0258 267 ASN A N +3264 C CA A ASN A 267 ? 0.9046 0.6717 0.7363 0.0197 -0.0270 0.0251 267 ASN A CA +3265 C CA B ASN A 267 ? 0.9059 0.6723 0.7372 0.0199 -0.0270 0.0250 267 ASN A CA +3266 C C A ASN A 267 ? 0.8868 0.6655 0.7265 0.0190 -0.0275 0.0243 267 ASN A C +3267 C C B ASN A 267 ? 0.8903 0.6683 0.7295 0.0191 -0.0274 0.0243 267 ASN A C +3268 O O A ASN A 267 ? 0.7986 0.5828 0.6433 0.0173 -0.0270 0.0230 267 ASN A O +3269 O O B ASN A 267 ? 0.7976 0.5812 0.6419 0.0171 -0.0269 0.0230 267 ASN A O +3270 C CB A ASN A 267 ? 0.8190 0.5832 0.6496 0.0225 -0.0275 0.0236 267 ASN A CB +3271 C CB B ASN A 267 ? 0.8170 0.5810 0.6475 0.0228 -0.0275 0.0235 267 ASN A CB +3272 C CG A ASN A 267 ? 0.8923 0.6600 0.7244 0.0281 -0.0294 0.0228 267 ASN A CG +3273 C CG B ASN A 267 ? 0.8945 0.6620 0.7264 0.0284 -0.0295 0.0227 267 ASN A CG +3274 O OD1 A ASN A 267 ? 0.8176 0.5936 0.6547 0.0292 -0.0304 0.0225 267 ASN A OD1 +3275 O OD1 B ASN A 267 ? 0.8175 0.5933 0.6544 0.0294 -0.0304 0.0224 267 ASN A OD1 +3276 N ND2 A ASN A 267 ? 0.8010 0.5625 0.6288 0.0318 -0.0300 0.0222 267 ASN A ND2 +3277 N ND2 B ASN A 267 ? 0.7987 0.5601 0.6264 0.0321 -0.0301 0.0222 267 ASN A ND2 +3278 N N A SER A 268 ? 0.8185 0.6007 0.6591 0.0204 -0.0284 0.0251 268 SER A N +3279 N N B SER A 268 ? 0.8228 0.6042 0.6629 0.0206 -0.0284 0.0251 268 SER A N +3280 C CA A SER A 268 ? 0.7726 0.5654 0.6204 0.0196 -0.0288 0.0245 268 SER A CA +3281 C CA B SER A 268 ? 0.7701 0.5620 0.6172 0.0198 -0.0288 0.0245 268 SER A CA +3282 C C A SER A 268 ? 0.8043 0.6035 0.6571 0.0223 -0.0298 0.0225 268 SER A C +3283 C C B SER A 268 ? 0.8063 0.6048 0.6586 0.0224 -0.0298 0.0226 268 SER A C +3284 O O A SER A 268 ? 0.7662 0.5734 0.6251 0.0206 -0.0295 0.0216 268 SER A O +3285 O O B SER A 268 ? 0.7684 0.5752 0.6270 0.0206 -0.0295 0.0217 268 SER A O +3286 C CB A SER A 268 ? 0.7983 0.5926 0.6452 0.0211 -0.0299 0.0257 268 SER A CB +3287 C CB B SER A 268 ? 0.7954 0.5887 0.6416 0.0213 -0.0299 0.0257 268 SER A CB +3288 O OG A SER A 268 ? 0.9044 0.7087 0.7579 0.0214 -0.0307 0.0248 268 SER A OG +3289 O OG B SER A 268 ? 0.9119 0.7152 0.7648 0.0213 -0.0306 0.0249 268 SER A OG +3290 N N A ARG A 269 ? 0.7330 0.5286 0.5831 0.0265 -0.0309 0.0219 269 ARG A N +3291 N N B ARG A 269 ? 0.7319 0.5272 0.5818 0.0266 -0.0309 0.0219 269 ARG A N +3292 C CA A ARG A 269 ? 0.8137 0.6155 0.6687 0.0292 -0.0316 0.0200 269 ARG A CA +3293 C CA B ARG A 269 ? 0.8146 0.6165 0.6696 0.0293 -0.0317 0.0200 269 ARG A CA +3294 C C A ARG A 269 ? 0.8351 0.6383 0.6927 0.0265 -0.0302 0.0188 269 ARG A C +3295 C C B ARG A 269 ? 0.8368 0.6402 0.6945 0.0267 -0.0303 0.0188 269 ARG A C +3296 O O A ARG A 269 ? 0.7624 0.5736 0.6260 0.0260 -0.0301 0.0175 269 ARG A O +3297 O O B ARG A 269 ? 0.7618 0.5733 0.6256 0.0262 -0.0302 0.0175 269 ARG A O +3298 C CB A ARG A 269 ? 0.7722 0.5699 0.6237 0.0345 -0.0331 0.0196 269 ARG A CB +3299 C CB B ARG A 269 ? 0.7719 0.5699 0.6236 0.0347 -0.0332 0.0196 269 ARG A CB +3300 C CG A ARG A 269 ? 0.8605 0.6587 0.7105 0.0376 -0.0349 0.0205 269 ARG A CG +3301 C CG B ARG A 269 ? 0.8606 0.6588 0.7106 0.0377 -0.0349 0.0205 269 ARG A CG +3302 C CD A ARG A 269 ? 0.8422 0.6381 0.6899 0.0434 -0.0367 0.0198 269 ARG A CD +3303 C CD B ARG A 269 ? 0.8430 0.6390 0.6907 0.0435 -0.0368 0.0199 269 ARG A CD +3304 N NE A ARG A 269 ? 0.8339 0.6320 0.6814 0.0462 -0.0386 0.0204 269 ARG A NE +3305 N NE B ARG A 269 ? 0.8342 0.6326 0.6819 0.0462 -0.0387 0.0205 269 ARG A NE +3306 C CZ A ARG A 269 ? 0.8144 0.6144 0.6625 0.0513 -0.0406 0.0196 269 ARG A CZ +3307 C CZ B ARG A 269 ? 0.8117 0.6121 0.6599 0.0512 -0.0407 0.0197 269 ARG A CZ +3308 N NH1 A ARG A 269 ? 0.8182 0.6175 0.6665 0.0545 -0.0409 0.0182 269 ARG A NH1 +3309 N NH1 B ARG A 269 ? 0.8207 0.6205 0.6693 0.0545 -0.0411 0.0183 269 ARG A NH1 +3310 N NH2 A ARG A 269 ? 0.8353 0.6382 0.6837 0.0533 -0.0424 0.0201 269 ARG A NH2 +3311 N NH2 B ARG A 269 ? 0.8398 0.6430 0.6883 0.0532 -0.0425 0.0202 269 ARG A NH2 +3312 N N A SER A 270 ? 0.8155 0.6108 0.6683 0.0246 -0.0291 0.0192 270 SER A N +3313 N N B SER A 270 ? 0.8171 0.6127 0.6702 0.0249 -0.0292 0.0191 270 SER A N +3314 C CA A SER A 270 ? 0.8941 0.6910 0.7495 0.0224 -0.0280 0.0178 270 SER A CA +3315 C CA B SER A 270 ? 0.8958 0.6929 0.7513 0.0225 -0.0280 0.0178 270 SER A CA +3316 C C A SER A 270 ? 0.7437 0.5457 0.6031 0.0174 -0.0269 0.0181 270 SER A C +3317 C C B SER A 270 ? 0.7407 0.5428 0.6001 0.0176 -0.0269 0.0181 270 SER A C +3318 O O A SER A 270 ? 0.7734 0.5808 0.6372 0.0160 -0.0263 0.0168 270 SER A O +3319 O O B SER A 270 ? 0.7727 0.5803 0.6366 0.0162 -0.0264 0.0168 270 SER A O +3320 C CB A SER A 270 ? 0.9719 0.7591 0.8213 0.0222 -0.0273 0.0178 270 SER A CB +3321 C CB B SER A 270 ? 0.9735 0.7607 0.8229 0.0223 -0.0273 0.0178 270 SER A CB +3322 O OG A SER A 270 ? 1.0072 0.7873 0.8517 0.0194 -0.0265 0.0193 270 SER A OG +3323 O OG B SER A 270 ? 1.0090 0.7897 0.8540 0.0191 -0.0264 0.0193 270 SER A OG +3324 N N A LEU A 271 ? 0.7714 0.5717 0.6291 0.0150 -0.0265 0.0197 271 LEU A N +3325 N N B LEU A 271 ? 0.7703 0.5705 0.6280 0.0151 -0.0265 0.0197 271 LEU A N +3326 C CA A LEU A 271 ? 0.7746 0.5806 0.6366 0.0109 -0.0256 0.0200 271 LEU A CA +3327 C CA B LEU A 271 ? 0.7729 0.5786 0.6347 0.0109 -0.0256 0.0199 271 LEU A CA +3328 C C A LEU A 271 ? 0.7665 0.5826 0.6351 0.0118 -0.0263 0.0190 271 LEU A C +3329 C C B LEU A 271 ? 0.7679 0.5837 0.6363 0.0118 -0.0263 0.0190 271 LEU A C +3330 O O A LEU A 271 ? 0.7549 0.5763 0.6279 0.0095 -0.0257 0.0181 271 LEU A O +3331 O O B LEU A 271 ? 0.7582 0.5793 0.6310 0.0096 -0.0256 0.0181 271 LEU A O +3332 C CB A LEU A 271 ? 0.7555 0.5585 0.6146 0.0091 -0.0253 0.0218 271 LEU A CB +3333 C CB B LEU A 271 ? 0.7535 0.5564 0.6125 0.0092 -0.0253 0.0218 271 LEU A CB +3334 C CG A LEU A 271 ? 0.9347 0.7442 0.7983 0.0055 -0.0246 0.0222 271 LEU A CG +3335 C CG B LEU A 271 ? 0.9351 0.7444 0.7985 0.0057 -0.0247 0.0223 271 LEU A CG +3336 C CD1 A LEU A 271 ? 1.0265 0.8367 0.8919 0.0014 -0.0233 0.0216 271 LEU A CD1 +3337 C CD1 B LEU A 271 ? 1.0286 0.8389 0.8940 0.0015 -0.0234 0.0217 271 LEU A CD1 +3338 C CD2 A LEU A 271 ? 0.9607 0.7673 0.8212 0.0046 -0.0244 0.0241 271 LEU A CD2 +3339 C CD2 B LEU A 271 ? 0.9608 0.7669 0.8209 0.0049 -0.0244 0.0241 271 LEU A CD2 +3340 N N A HIS A 272 ? 0.7100 0.5287 0.5793 0.0153 -0.0277 0.0192 272 HIS A N +3341 N N B HIS A 272 ? 0.7086 0.5271 0.5778 0.0152 -0.0276 0.0192 272 HIS A N +3342 C CA A HIS A 272 ? 0.7304 0.5586 0.6061 0.0159 -0.0283 0.0183 272 HIS A CA +3343 C CA B HIS A 272 ? 0.7315 0.5595 0.6070 0.0159 -0.0282 0.0183 272 HIS A CA +3344 C C A HIS A 272 ? 0.7692 0.6010 0.6481 0.0175 -0.0282 0.0164 272 HIS A C +3345 C C B HIS A 272 ? 0.7722 0.6039 0.6511 0.0174 -0.0282 0.0164 272 HIS A C +3346 O O A HIS A 272 ? 0.7214 0.5608 0.6058 0.0166 -0.0281 0.0156 272 HIS A O +3347 O O B HIS A 272 ? 0.7216 0.5608 0.6059 0.0163 -0.0279 0.0155 272 HIS A O +3348 C CB A HIS A 272 ? 0.6962 0.5264 0.5718 0.0191 -0.0298 0.0188 272 HIS A CB +3349 C CB B HIS A 272 ? 0.6947 0.5245 0.5701 0.0192 -0.0298 0.0188 272 HIS A CB +3350 C CG A HIS A 272 ? 0.7489 0.5783 0.6230 0.0171 -0.0297 0.0204 272 HIS A CG +3351 C CG B HIS A 272 ? 0.7490 0.5782 0.6230 0.0172 -0.0297 0.0204 272 HIS A CG +3352 N ND1 A HIS A 272 ? 0.7074 0.5290 0.5754 0.0171 -0.0296 0.0220 272 HIS A ND1 +3353 N ND1 B HIS A 272 ? 0.7068 0.5283 0.5747 0.0174 -0.0297 0.0219 272 HIS A ND1 +3354 C CD2 A HIS A 272 ? 0.6919 0.5273 0.5697 0.0149 -0.0296 0.0207 272 HIS A CD2 +3355 C CD2 B HIS A 272 ? 0.6912 0.5264 0.5690 0.0149 -0.0295 0.0207 272 HIS A CD2 +3356 C CE1 A HIS A 272 ? 0.7262 0.5491 0.5942 0.0151 -0.0294 0.0231 272 HIS A CE1 +3357 C CE1 B HIS A 272 ? 0.7243 0.5472 0.5923 0.0154 -0.0295 0.0231 272 HIS A CE1 +3358 N NE2 A HIS A 272 ? 0.7474 0.5786 0.6214 0.0138 -0.0294 0.0224 272 HIS A NE2 +3359 N NE2 B HIS A 272 ? 0.7505 0.5817 0.6245 0.0139 -0.0294 0.0223 272 HIS A NE2 +3360 N N A PHE A 273 ? 0.7261 0.5525 0.6017 0.0198 -0.0283 0.0158 273 PHE A N +3361 N N B PHE A 273 ? 0.7250 0.5514 0.6006 0.0199 -0.0283 0.0158 273 PHE A N +3362 C CA A PHE A 273 ? 0.7128 0.5424 0.5913 0.0209 -0.0280 0.0140 273 PHE A CA +3363 C CA B PHE A 273 ? 0.7125 0.5421 0.5910 0.0211 -0.0280 0.0140 273 PHE A CA +3364 C C A PHE A 273 ? 0.7047 0.5353 0.5848 0.0168 -0.0266 0.0136 273 PHE A C +3365 C C B PHE A 273 ? 0.7044 0.5352 0.5846 0.0170 -0.0266 0.0135 273 PHE A C +3366 O O A PHE A 273 ? 0.7151 0.5519 0.5998 0.0164 -0.0261 0.0124 273 PHE A O +3367 O O B PHE A 273 ? 0.7165 0.5534 0.6012 0.0167 -0.0262 0.0123 273 PHE A O +3368 C CB A PHE A 273 ? 0.6968 0.5197 0.5709 0.0243 -0.0283 0.0135 273 PHE A CB +3369 C CB B PHE A 273 ? 0.6946 0.5178 0.5688 0.0246 -0.0284 0.0134 273 PHE A CB +3370 C CG A PHE A 273 ? 0.7302 0.5550 0.6063 0.0250 -0.0276 0.0117 273 PHE A CG +3371 C CG B PHE A 273 ? 0.7292 0.5540 0.6053 0.0252 -0.0277 0.0116 273 PHE A CG +3372 C CD1 A PHE A 273 ? 0.7527 0.5854 0.6342 0.0270 -0.0279 0.0103 273 PHE A CD1 +3373 C CD1 B PHE A 273 ? 0.7529 0.5854 0.6343 0.0273 -0.0279 0.0102 273 PHE A CD1 +3374 C CD2 A PHE A 273 ? 0.7789 0.5976 0.6516 0.0233 -0.0266 0.0113 273 PHE A CD2 +3375 C CD2 B PHE A 273 ? 0.7785 0.5971 0.6511 0.0235 -0.0267 0.0113 273 PHE A CD2 +3376 C CE1 A PHE A 273 ? 0.7162 0.5504 0.5993 0.0276 -0.0271 0.0087 273 PHE A CE1 +3377 C CE1 B PHE A 273 ? 0.7152 0.5491 0.5981 0.0278 -0.0270 0.0086 273 PHE A CE1 +3378 C CE2 A PHE A 273 ? 0.8282 0.6485 0.7024 0.0239 -0.0260 0.0097 273 PHE A CE2 +3379 C CE2 B PHE A 273 ? 0.8284 0.6483 0.7023 0.0240 -0.0260 0.0097 273 PHE A CE2 +3380 C CZ A PHE A 273 ? 0.7570 0.5851 0.6364 0.0261 -0.0261 0.0084 273 PHE A CZ +3381 C CZ B PHE A 273 ? 0.7568 0.5843 0.6359 0.0263 -0.0261 0.0084 273 PHE A CZ +3382 N N A PHE A 274 ? 0.6957 0.5202 0.5720 0.0138 -0.0258 0.0145 274 PHE A N +3383 N N B PHE A 274 ? 0.6947 0.5195 0.5712 0.0140 -0.0258 0.0144 274 PHE A N +3384 C CA A PHE A 274 ? 0.7534 0.5790 0.6312 0.0098 -0.0246 0.0141 274 PHE A CA +3385 C CA B PHE A 274 ? 0.7519 0.5777 0.6299 0.0100 -0.0246 0.0140 274 PHE A CA +3386 C C A PHE A 274 ? 0.7410 0.5749 0.6243 0.0075 -0.0244 0.0142 274 PHE A C +3387 C C B PHE A 274 ? 0.7417 0.5757 0.6251 0.0076 -0.0244 0.0141 274 PHE A C +3388 O O A PHE A 274 ? 0.6860 0.5242 0.5726 0.0059 -0.0238 0.0132 274 PHE A O +3389 O O B PHE A 274 ? 0.6851 0.5233 0.5718 0.0059 -0.0238 0.0131 274 PHE A O +3390 C CB A PHE A 274 ? 0.7274 0.5454 0.6004 0.0069 -0.0240 0.0152 274 PHE A CB +3391 C CB B PHE A 274 ? 0.7253 0.5433 0.5984 0.0072 -0.0240 0.0150 274 PHE A CB +3392 C CG A PHE A 274 ? 0.7718 0.5905 0.6462 0.0026 -0.0229 0.0148 274 PHE A CG +3393 C CG B PHE A 274 ? 0.7690 0.5877 0.6434 0.0029 -0.0230 0.0147 274 PHE A CG +3394 C CD1 A PHE A 274 ? 0.8152 0.6314 0.6885 0.0022 -0.0225 0.0135 274 PHE A CD1 +3395 C CD1 B PHE A 274 ? 0.8152 0.6318 0.6888 0.0024 -0.0225 0.0133 274 PHE A CD1 +3396 C CD2 A PHE A 274 ? 0.8128 0.6346 0.6893 -0.0009 -0.0225 0.0157 274 PHE A CD2 +3397 C CD2 B PHE A 274 ? 0.8144 0.6360 0.6907 -0.0006 -0.0225 0.0156 274 PHE A CD2 +3398 C CE1 A PHE A 274 ? 0.8921 0.7091 0.7666 -0.0016 -0.0218 0.0130 274 PHE A CE1 +3399 C CE1 B PHE A 274 ? 0.8929 0.7100 0.7675 -0.0014 -0.0218 0.0129 274 PHE A CE1 +3400 C CE2 A PHE A 274 ? 0.8661 0.6888 0.7439 -0.0047 -0.0217 0.0152 274 PHE A CE2 +3401 C CE2 B PHE A 274 ? 0.8678 0.6901 0.7454 -0.0044 -0.0217 0.0152 274 PHE A CE2 +3402 C CZ A PHE A 274 ? 0.8035 0.6237 0.6803 -0.0050 -0.0214 0.0139 274 PHE A CZ +3403 C CZ B PHE A 274 ? 0.8037 0.6239 0.6805 -0.0049 -0.0214 0.0138 274 PHE A CZ +3404 N N A LEU A 275 ? 0.6981 0.5339 0.5821 0.0073 -0.0249 0.0154 275 LEU A N +3405 N N B LEU A 275 ? 0.6978 0.5337 0.5818 0.0074 -0.0249 0.0153 275 LEU A N +3406 C CA A LEU A 275 ? 0.6546 0.4980 0.5434 0.0054 -0.0248 0.0155 275 LEU A CA +3407 C CA B LEU A 275 ? 0.6532 0.4966 0.5421 0.0055 -0.0248 0.0154 275 LEU A CA +3408 C C A LEU A 275 ? 0.7030 0.5534 0.5967 0.0074 -0.0251 0.0141 275 LEU A C +3409 C C B LEU A 275 ? 0.7047 0.5553 0.5985 0.0074 -0.0251 0.0141 275 LEU A C +3410 O O A LEU A 275 ? 0.6635 0.5194 0.5611 0.0054 -0.0246 0.0136 275 LEU A O +3411 O O B LEU A 275 ? 0.6632 0.5192 0.5608 0.0054 -0.0246 0.0135 275 LEU A O +3412 C CB A LEU A 275 ? 0.6728 0.5167 0.5611 0.0056 -0.0254 0.0169 275 LEU A CB +3413 C CB B LEU A 275 ? 0.6732 0.5170 0.5615 0.0057 -0.0254 0.0169 275 LEU A CB +3414 C CG A LEU A 275 ? 0.7114 0.5496 0.5956 0.0032 -0.0248 0.0185 275 LEU A CG +3415 C CG B LEU A 275 ? 0.7117 0.5499 0.5959 0.0033 -0.0249 0.0185 275 LEU A CG +3416 C CD1 A LEU A 275 ? 0.6624 0.5018 0.5463 0.0037 -0.0254 0.0198 275 LEU A CD1 +3417 C CD1 B LEU A 275 ? 0.6623 0.5020 0.5465 0.0039 -0.0255 0.0197 275 LEU A CD1 +3418 C CD2 A LEU A 275 ? 0.6913 0.5300 0.5767 -0.0012 -0.0236 0.0185 275 LEU A CD2 +3419 C CD2 B LEU A 275 ? 0.6918 0.5307 0.5773 -0.0010 -0.0237 0.0185 275 LEU A CD2 +3420 N N A ALA A 276 ? 0.6923 0.5427 0.5857 0.0113 -0.0260 0.0135 276 ALA A N +3421 N N B ALA A 276 ? 0.6948 0.5453 0.5882 0.0113 -0.0260 0.0134 276 ALA A N +3422 C CA A ALA A 276 ? 0.7055 0.5626 0.6035 0.0131 -0.0261 0.0120 276 ALA A CA +3423 C CA B ALA A 276 ? 0.7045 0.5617 0.6026 0.0131 -0.0261 0.0120 276 ALA A CA +3424 C C A ALA A 276 ? 0.7200 0.5773 0.6188 0.0121 -0.0250 0.0108 276 ALA A C +3425 C C B ALA A 276 ? 0.7220 0.5793 0.6208 0.0122 -0.0250 0.0107 276 ALA A C +3426 O O A ALA A 276 ? 0.7424 0.6056 0.6454 0.0107 -0.0244 0.0100 276 ALA A O +3427 O O B ALA A 276 ? 0.7511 0.6143 0.6541 0.0110 -0.0244 0.0099 276 ALA A O +3428 C CB A ALA A 276 ? 0.7180 0.5748 0.6155 0.0177 -0.0273 0.0115 276 ALA A CB +3429 C CB B ALA A 276 ? 0.7175 0.5747 0.6153 0.0177 -0.0273 0.0115 276 ALA A CB +3430 N N A ALA A 277 ? 0.7217 0.5723 0.6163 0.0125 -0.0247 0.0106 277 ALA A N +3431 N N B ALA A 277 ? 0.7218 0.5722 0.6163 0.0126 -0.0247 0.0105 277 ALA A N +3432 C CA A ALA A 277 ? 0.7191 0.5694 0.6139 0.0127 -0.0239 0.0091 277 ALA A CA +3433 C CA B ALA A 277 ? 0.7193 0.5695 0.6141 0.0128 -0.0239 0.0090 277 ALA A CA +3434 C C A ALA A 277 ? 0.7076 0.5591 0.6035 0.0087 -0.0229 0.0089 277 ALA A C +3435 C C B ALA A 277 ? 0.7080 0.5596 0.6040 0.0088 -0.0229 0.0088 277 ALA A C +3436 O O A ALA A 277 ? 0.6979 0.5528 0.5961 0.0084 -0.0222 0.0077 277 ALA A O +3437 O O B ALA A 277 ? 0.6987 0.5540 0.5972 0.0086 -0.0222 0.0076 277 ALA A O +3438 C CB A ALA A 277 ? 0.7340 0.5762 0.6235 0.0146 -0.0240 0.0089 277 ALA A CB +3439 C CB B ALA A 277 ? 0.7328 0.5749 0.6223 0.0147 -0.0239 0.0088 277 ALA A CB +3440 N N A TRP A 278 ? 0.7053 0.5538 0.5993 0.0056 -0.0228 0.0101 278 TRP A N +3441 N N B TRP A 278 ? 0.7057 0.5543 0.5998 0.0057 -0.0228 0.0100 278 TRP A N +3442 C CA A TRP A 278 ? 0.7129 0.5620 0.6076 0.0019 -0.0220 0.0098 278 TRP A CA +3443 C CA B TRP A 278 ? 0.7127 0.5618 0.6074 0.0021 -0.0220 0.0097 278 TRP A CA +3444 C C A TRP A 278 ? 0.6870 0.5439 0.5867 0.0008 -0.0217 0.0094 278 TRP A C +3445 C C B TRP A 278 ? 0.6871 0.5442 0.5869 0.0009 -0.0216 0.0093 278 TRP A C +3446 O O A TRP A 278 ? 0.7025 0.5610 0.6033 0.0000 -0.0211 0.0083 278 TRP A O +3447 O O B TRP A 278 ? 0.7065 0.5652 0.6073 0.0003 -0.0210 0.0081 278 TRP A O +3448 C CB A TRP A 278 ? 0.6972 0.5422 0.5894 -0.0011 -0.0219 0.0111 278 TRP A CB +3449 C CB B TRP A 278 ? 0.6974 0.5425 0.5897 -0.0010 -0.0219 0.0110 278 TRP A CB +3450 C CG A TRP A 278 ? 0.7635 0.6093 0.6566 -0.0048 -0.0213 0.0107 278 TRP A CG +3451 C CG B TRP A 278 ? 0.7644 0.6103 0.6575 -0.0047 -0.0213 0.0107 278 TRP A CG +3452 C CD1 A TRP A 278 ? 0.6971 0.5489 0.5941 -0.0070 -0.0211 0.0108 278 TRP A CD1 +3453 C CD1 B TRP A 278 ? 0.6964 0.5483 0.5934 -0.0069 -0.0211 0.0107 278 TRP A CD1 +3454 C CD2 A TRP A 278 ? 0.8185 0.6588 0.7084 -0.0067 -0.0209 0.0102 278 TRP A CD2 +3455 C CD2 B TRP A 278 ? 0.8204 0.6608 0.7104 -0.0065 -0.0209 0.0101 278 TRP A CD2 +3456 N NE1 A TRP A 278 ? 0.6975 0.5481 0.5940 -0.0099 -0.0207 0.0103 278 TRP A NE1 +3457 N NE1 B TRP A 278 ? 0.6968 0.5473 0.5932 -0.0098 -0.0207 0.0102 278 TRP A NE1 +3458 C CE2 A TRP A 278 ? 0.7631 0.6068 0.6554 -0.0099 -0.0206 0.0099 278 TRP A CE2 +3459 C CE2 B TRP A 278 ? 0.7639 0.6076 0.6561 -0.0097 -0.0206 0.0098 278 TRP A CE2 +3460 C CE3 A TRP A 278 ? 0.8309 0.6637 0.7161 -0.0059 -0.0209 0.0100 278 TRP A CE3 +3461 C CE3 B TRP A 278 ? 0.8312 0.6640 0.7164 -0.0057 -0.0209 0.0099 278 TRP A CE3 +3462 C CZ2 A TRP A 278 ? 0.7575 0.5976 0.6478 -0.0124 -0.0204 0.0093 278 TRP A CZ2 +3463 C CZ2 B TRP A 278 ? 0.7572 0.5972 0.6474 -0.0121 -0.0204 0.0092 278 TRP A CZ2 +3464 C CZ3 A TRP A 278 ? 0.8415 0.6705 0.7247 -0.0085 -0.0206 0.0094 278 TRP A CZ3 +3465 C CZ3 B TRP A 278 ? 0.8404 0.6694 0.7235 -0.0082 -0.0206 0.0093 278 TRP A CZ3 +3466 C CH2 A TRP A 278 ? 0.8733 0.7061 0.7591 -0.0117 -0.0204 0.0090 278 TRP A CH2 +3467 C CH2 B TRP A 278 ? 0.8740 0.7067 0.7597 -0.0115 -0.0204 0.0089 278 TRP A CH2 +3468 N N A PRO A 279 ? 0.6995 0.5613 0.6022 0.0006 -0.0220 0.0101 279 PRO A N +3469 N N B PRO A 279 ? 0.6991 0.5609 0.6018 0.0006 -0.0220 0.0100 279 PRO A N +3470 C CA A PRO A 279 ? 0.6236 0.4924 0.5308 -0.0005 -0.0216 0.0096 279 PRO A CA +3471 C CA B PRO A 279 ? 0.6219 0.4908 0.5291 -0.0005 -0.0216 0.0096 279 PRO A CA +3472 C C A PRO A 279 ? 0.6821 0.5546 0.5917 0.0021 -0.0214 0.0083 279 PRO A C +3473 C C B PRO A 279 ? 0.6836 0.5563 0.5933 0.0021 -0.0214 0.0082 279 PRO A C +3474 O O A PRO A 279 ? 0.6557 0.5321 0.5677 0.0011 -0.0207 0.0075 279 PRO A O +3475 O O B PRO A 279 ? 0.6570 0.5336 0.5692 0.0011 -0.0207 0.0074 279 PRO A O +3476 C CB A PRO A 279 ? 0.6295 0.5016 0.5387 -0.0012 -0.0222 0.0108 279 PRO A CB +3477 C CB B PRO A 279 ? 0.6289 0.5010 0.5381 -0.0012 -0.0221 0.0108 279 PRO A CB +3478 C CG A PRO A 279 ? 0.6307 0.4987 0.5370 0.0010 -0.0230 0.0116 279 PRO A CG +3479 C CG B PRO A 279 ? 0.6289 0.4971 0.5354 0.0012 -0.0229 0.0114 279 PRO A CG +3480 C CD A PRO A 279 ? 0.6726 0.5334 0.5744 0.0010 -0.0227 0.0115 279 PRO A CD +3481 C CD B PRO A 279 ? 0.6744 0.5353 0.5763 0.0011 -0.0227 0.0114 279 PRO A CD +3482 N N A VAL A 280 ? 0.6195 0.4912 0.5285 0.0055 -0.0220 0.0080 280 VAL A N +3483 N N B VAL A 280 ? 0.6190 0.4907 0.5281 0.0055 -0.0219 0.0080 280 VAL A N +3484 C CA A VAL A 280 ? 0.6728 0.5489 0.5848 0.0080 -0.0217 0.0067 280 VAL A CA +3485 C CA B VAL A 280 ? 0.6725 0.5485 0.5845 0.0080 -0.0216 0.0066 280 VAL A CA +3486 C C A VAL A 280 ? 0.6842 0.5583 0.5949 0.0080 -0.0207 0.0054 280 VAL A C +3487 C C B VAL A 280 ? 0.6853 0.5593 0.5959 0.0080 -0.0206 0.0054 280 VAL A C +3488 O O A VAL A 280 ? 0.7128 0.5913 0.6262 0.0078 -0.0198 0.0044 280 VAL A O +3489 O O B VAL A 280 ? 0.7164 0.5948 0.6297 0.0078 -0.0197 0.0044 280 VAL A O +3490 C CB A VAL A 280 ? 0.7509 0.6266 0.6627 0.0118 -0.0226 0.0066 280 VAL A CB +3491 C CB B VAL A 280 ? 0.7540 0.6297 0.6658 0.0118 -0.0226 0.0065 280 VAL A CB +3492 C CG1 A VAL A 280 ? 0.6415 0.5204 0.5556 0.0147 -0.0222 0.0050 280 VAL A CG1 +3493 C CG1 B VAL A 280 ? 0.6402 0.5193 0.5544 0.0146 -0.0221 0.0049 280 VAL A CG1 +3494 C CG2 A VAL A 280 ? 0.6194 0.4990 0.5336 0.0118 -0.0236 0.0075 280 VAL A CG2 +3495 C CG2 B VAL A 280 ? 0.6189 0.4984 0.5330 0.0119 -0.0236 0.0075 280 VAL A CG2 +3496 N N A VAL A 281 ? 0.6607 0.5279 0.5669 0.0082 -0.0207 0.0054 281 VAL A N +3497 N N B VAL A 281 ? 0.6611 0.5282 0.5672 0.0083 -0.0207 0.0054 281 VAL A N +3498 C CA A VAL A 281 ? 0.6938 0.5584 0.5981 0.0082 -0.0198 0.0042 281 VAL A CA +3499 C CA B VAL A 281 ? 0.6939 0.5584 0.5982 0.0082 -0.0198 0.0042 281 VAL A CA +3500 C C A VAL A 281 ? 0.6740 0.5405 0.5793 0.0047 -0.0191 0.0041 281 VAL A C +3501 C C B VAL A 281 ? 0.6743 0.5408 0.5796 0.0047 -0.0191 0.0040 281 VAL A C +3502 O O A VAL A 281 ? 0.6508 0.5192 0.5570 0.0047 -0.0182 0.0029 281 VAL A O +3503 O O B VAL A 281 ? 0.6497 0.5182 0.5560 0.0047 -0.0182 0.0029 281 VAL A O +3504 C CB A VAL A 281 ? 0.7810 0.6372 0.6800 0.0089 -0.0202 0.0043 281 VAL A CB +3505 C CB B VAL A 281 ? 0.7826 0.6387 0.6815 0.0088 -0.0201 0.0043 281 VAL A CB +3506 C CG1 A VAL A 281 ? 0.7232 0.5763 0.6199 0.0082 -0.0193 0.0030 281 VAL A CG1 +3507 C CG1 B VAL A 281 ? 0.7206 0.5738 0.6174 0.0085 -0.0193 0.0029 281 VAL A CG1 +3508 C CG2 A VAL A 281 ? 0.7271 0.5814 0.6249 0.0130 -0.0208 0.0042 281 VAL A CG2 +3509 C CG2 B VAL A 281 ? 0.7271 0.5810 0.6246 0.0128 -0.0208 0.0043 281 VAL A CG2 +3510 N N A GLY A 282 ? 0.6560 0.5218 0.5610 0.0017 -0.0195 0.0052 282 GLY A N +3511 N N B GLY A 282 ? 0.6537 0.5197 0.5588 0.0018 -0.0195 0.0052 282 GLY A N +3512 C CA A GLY A 282 ? 0.6950 0.5631 0.6012 -0.0014 -0.0190 0.0051 282 GLY A CA +3513 C CA B GLY A 282 ? 0.6955 0.5636 0.6017 -0.0014 -0.0190 0.0051 282 GLY A CA +3514 C C A GLY A 282 ? 0.7045 0.5795 0.6148 -0.0013 -0.0184 0.0046 282 GLY A C +3515 C C B GLY A 282 ? 0.7064 0.5815 0.6168 -0.0013 -0.0184 0.0046 282 GLY A C +3516 O O A GLY A 282 ? 0.6618 0.5382 0.5726 -0.0023 -0.0177 0.0038 282 GLY A O +3517 O O B GLY A 282 ? 0.6619 0.5382 0.5726 -0.0024 -0.0177 0.0038 282 GLY A O +3518 N N A VAL A 283 ? 0.6656 0.5449 0.5790 -0.0001 -0.0187 0.0051 283 VAL A N +3519 N N B VAL A 283 ? 0.6657 0.5451 0.5791 -0.0001 -0.0187 0.0051 283 VAL A N +3520 C CA A VAL A 283 ? 0.6536 0.5395 0.5710 -0.0003 -0.0181 0.0047 283 VAL A CA +3521 C CA B VAL A 283 ? 0.6535 0.5395 0.5711 -0.0003 -0.0181 0.0047 283 VAL A CA +3522 C C A VAL A 283 ? 0.6260 0.5137 0.5444 0.0019 -0.0172 0.0032 283 VAL A C +3523 C C B VAL A 283 ? 0.6248 0.5125 0.5433 0.0019 -0.0172 0.0032 283 VAL A C +3524 O O A VAL A 283 ? 0.7180 0.6094 0.6385 0.0012 -0.0162 0.0025 283 VAL A O +3525 O O B VAL A 283 ? 0.7214 0.6128 0.6419 0.0012 -0.0162 0.0026 283 VAL A O +3526 C CB A VAL A 283 ? 0.6631 0.5531 0.5836 -0.0001 -0.0188 0.0055 283 VAL A CB +3527 C CB B VAL A 283 ? 0.6646 0.5545 0.5850 0.0000 -0.0188 0.0055 283 VAL A CB +3528 C CG1 A VAL A 283 ? 0.5513 0.4480 0.4761 0.0002 -0.0181 0.0049 283 VAL A CG1 +3529 C CG1 B VAL A 283 ? 0.5488 0.4456 0.4736 0.0002 -0.0181 0.0050 283 VAL A CG1 +3530 C CG2 A VAL A 283 ? 0.5902 0.4794 0.5100 -0.0029 -0.0193 0.0068 283 VAL A CG2 +3531 C CG2 B VAL A 283 ? 0.5911 0.4800 0.5108 -0.0027 -0.0193 0.0069 283 VAL A CG2 +3532 N N . TRP A 284 ? 0.6117 0.4965 0.5285 0.0048 -0.0174 0.0026 284 TRP A N +3533 C CA . TRP A 284 ? 0.6470 0.5327 0.5642 0.0070 -0.0163 0.0012 284 TRP A CA +3534 C C . TRP A 284 ? 0.7544 0.6379 0.6693 0.0052 -0.0154 0.0004 284 TRP A C +3535 O O . TRP A 284 ? 0.6953 0.5820 0.6118 0.0055 -0.0141 -0.0005 284 TRP A O +3536 C CB . TRP A 284 ? 0.6850 0.5665 0.5998 0.0102 -0.0168 0.0007 284 TRP A CB +3537 C CG . TRP A 284 ? 0.6971 0.5818 0.6145 0.0130 -0.0175 0.0008 284 TRP A CG +3538 C CD1 . TRP A 284 ? 0.7249 0.6165 0.6470 0.0132 -0.0175 0.0007 284 TRP A CD1 +3539 C CD2 . TRP A 284 ? 0.6316 0.5127 0.5469 0.0160 -0.0185 0.0009 284 TRP A CD2 +3540 N NE1 . TRP A 284 ? 0.6391 0.5318 0.5624 0.0162 -0.0185 0.0007 284 TRP A NE1 +3541 C CE2 . TRP A 284 ? 0.6586 0.5449 0.5777 0.0181 -0.0191 0.0008 284 TRP A CE2 +3542 C CE3 . TRP A 284 ? 0.6928 0.5664 0.6031 0.0172 -0.0189 0.0009 284 TRP A CE3 +3543 C CZ2 . TRP A 284 ? 0.6976 0.5820 0.6156 0.0215 -0.0203 0.0008 284 TRP A CZ2 +3544 C CZ3 . TRP A 284 ? 0.8248 0.6963 0.7340 0.0205 -0.0200 0.0011 284 TRP A CZ3 +3545 C CH2 . TRP A 284 ? 0.7130 0.5899 0.6259 0.0227 -0.0207 0.0010 284 TRP A CH2 +3546 N N A PHE A 285 ? 0.6427 0.5208 0.5540 0.0034 -0.0159 0.0009 285 PHE A N +3547 N N B PHE A 285 ? 0.6414 0.5194 0.5527 0.0035 -0.0159 0.0009 285 PHE A N +3548 C CA A PHE A 285 ? 0.6584 0.5343 0.5675 0.0017 -0.0152 0.0002 285 PHE A CA +3549 C CA B PHE A 285 ? 0.6575 0.5333 0.5665 0.0018 -0.0152 0.0002 285 PHE A CA +3550 C C A PHE A 285 ? 0.6585 0.5389 0.5699 -0.0007 -0.0148 0.0004 285 PHE A C +3551 C C B PHE A 285 ? 0.6577 0.5382 0.5692 -0.0007 -0.0147 0.0004 285 PHE A C +3552 O O A PHE A 285 ? 0.7069 0.5884 0.6181 -0.0010 -0.0137 -0.0005 285 PHE A O +3553 O O B PHE A 285 ? 0.7095 0.5909 0.6207 -0.0010 -0.0137 -0.0005 285 PHE A O +3554 C CB A PHE A 285 ? 0.7546 0.6238 0.6594 0.0002 -0.0160 0.0005 285 PHE A CB +3555 C CB B PHE A 285 ? 0.7560 0.6252 0.6608 0.0002 -0.0160 0.0006 285 PHE A CB +3556 C CG A PHE A 285 ? 0.7885 0.6520 0.6897 0.0025 -0.0161 -0.0002 285 PHE A CG +3557 C CG B PHE A 285 ? 0.7887 0.6522 0.6900 0.0025 -0.0161 -0.0001 285 PHE A CG +3558 C CD1 A PHE A 285 ? 0.7721 0.6346 0.6720 0.0042 -0.0151 -0.0016 285 PHE A CD1 +3559 C CD1 B PHE A 285 ? 0.7725 0.6349 0.6723 0.0042 -0.0152 -0.0016 285 PHE A CD1 +3560 C CD2 A PHE A 285 ? 0.8010 0.6599 0.7000 0.0031 -0.0170 0.0006 285 PHE A CD2 +3561 C CD2 B PHE A 285 ? 0.8014 0.6604 0.7004 0.0030 -0.0171 0.0007 285 PHE A CD2 +3562 C CE1 A PHE A 285 ? 0.9034 0.7602 0.7997 0.0065 -0.0152 -0.0024 285 PHE A CE1 +3563 C CE1 B PHE A 285 ? 0.9056 0.7624 0.8019 0.0065 -0.0152 -0.0023 285 PHE A CE1 +3564 C CE2 A PHE A 285 ? 0.7579 0.6110 0.6532 0.0054 -0.0171 0.0000 285 PHE A CE2 +3565 C CE2 B PHE A 285 ? 0.7569 0.6100 0.6522 0.0053 -0.0171 0.0000 285 PHE A CE2 +3566 C CZ A PHE A 285 ? 0.8500 0.7022 0.7441 0.0071 -0.0162 -0.0015 285 PHE A CZ +3567 C CZ B PHE A 285 ? 0.8493 0.7015 0.7434 0.0070 -0.0163 -0.0015 285 PHE A CZ +3568 N N A ALA A 286 ? 0.6483 0.5314 0.5619 -0.0024 -0.0154 0.0016 286 ALA A N +3569 N N B ALA A 286 ? 0.6491 0.5324 0.5628 -0.0023 -0.0154 0.0016 286 ALA A N +3570 C CA A ALA A 286 ? 0.6651 0.5526 0.5810 -0.0045 -0.0150 0.0019 286 ALA A CA +3571 C CA B ALA A 286 ? 0.6657 0.5534 0.5817 -0.0044 -0.0150 0.0018 286 ALA A CA +3572 C C A ALA A 286 ? 0.6042 0.4966 0.5229 -0.0031 -0.0138 0.0010 286 ALA A C +3573 C C B ALA A 286 ? 0.6034 0.4959 0.5223 -0.0030 -0.0137 0.0010 286 ALA A C +3574 O O A ALA A 286 ? 0.5954 0.4893 0.5142 -0.0041 -0.0128 0.0005 286 ALA A O +3575 O O B ALA A 286 ? 0.5938 0.4877 0.5126 -0.0040 -0.0128 0.0005 286 ALA A O +3576 C CB A ALA A 286 ? 0.6054 0.4951 0.5233 -0.0060 -0.0159 0.0032 286 ALA A CB +3577 C CB B ALA A 286 ? 0.6048 0.4947 0.5228 -0.0059 -0.0159 0.0032 286 ALA A CB +3578 N N A ALA A 287 ? 0.6386 0.5336 0.5598 -0.0008 -0.0137 0.0009 287 ALA A N +3579 N N B ALA A 287 ? 0.6398 0.5350 0.5611 -0.0007 -0.0137 0.0009 287 ALA A N +3580 C CA A ALA A 287 ? 0.6063 0.5063 0.5307 0.0005 -0.0124 0.0000 287 ALA A CA +3581 C CA B ALA A 287 ? 0.6061 0.5062 0.5305 0.0005 -0.0124 0.0000 287 ALA A CA +3582 C C A ALA A 287 ? 0.6832 0.5814 0.6055 0.0015 -0.0111 -0.0013 287 ALA A C +3583 C C B ALA A 287 ? 0.6846 0.5829 0.6070 0.0016 -0.0111 -0.0014 287 ALA A C +3584 O O A ALA A 287 ? 0.5992 0.5006 0.5230 0.0013 -0.0097 -0.0020 287 ALA A O +3585 O O B ALA A 287 ? 0.5978 0.4993 0.5216 0.0013 -0.0096 -0.0020 287 ALA A O +3586 C CB A ALA A 287 ? 0.5824 0.4851 0.5096 0.0030 -0.0129 -0.0001 287 ALA A CB +3587 C CB B ALA A 287 ? 0.5817 0.4845 0.5089 0.0030 -0.0128 -0.0001 287 ALA A CB +3588 N N A LEU A 288 ? 0.5775 0.4704 0.4963 0.0028 -0.0115 -0.0018 288 LEU A N +3589 N N B LEU A 288 ? 0.5743 0.4672 0.4931 0.0028 -0.0114 -0.0018 288 LEU A N +3590 C CA A LEU A 288 ? 0.6871 0.5779 0.6037 0.0039 -0.0102 -0.0031 288 LEU A CA +3591 C CA B LEU A 288 ? 0.6891 0.5798 0.6056 0.0040 -0.0102 -0.0031 288 LEU A CA +3592 C C A LEU A 288 ? 0.6810 0.5698 0.5949 0.0014 -0.0099 -0.0032 288 LEU A C +3593 C C B LEU A 288 ? 0.6823 0.5712 0.5963 0.0014 -0.0098 -0.0032 288 LEU A C +3594 O O A LEU A 288 ? 0.6684 0.5571 0.5812 0.0019 -0.0085 -0.0043 288 LEU A O +3595 O O B LEU A 288 ? 0.6683 0.5573 0.5812 0.0018 -0.0084 -0.0043 288 LEU A O +3596 C CB A LEU A 288 ? 0.6083 0.4935 0.5215 0.0062 -0.0108 -0.0036 288 LEU A CB +3597 C CB B LEU A 288 ? 0.6052 0.4903 0.5183 0.0061 -0.0108 -0.0036 288 LEU A CB +3598 C CG A LEU A 288 ? 0.6499 0.5367 0.5653 0.0094 -0.0111 -0.0038 288 LEU A CG +3599 C CG B LEU A 288 ? 0.6508 0.5374 0.5660 0.0093 -0.0111 -0.0038 288 LEU A CG +3600 C CD1 A LEU A 288 ? 0.6728 0.5533 0.5843 0.0114 -0.0119 -0.0040 288 LEU A CD1 +3601 C CD1 B LEU A 288 ? 0.6734 0.5536 0.5847 0.0113 -0.0119 -0.0040 288 LEU A CD1 +3602 C CD2 A LEU A 288 ? 0.6959 0.5879 0.6146 0.0115 -0.0096 -0.0050 288 LEU A CD2 +3603 C CD2 B LEU A 288 ? 0.6967 0.5885 0.6152 0.0113 -0.0096 -0.0049 288 LEU A CD2 +3604 N N A GLY A 289 ? 0.6617 0.5491 0.5747 -0.0011 -0.0110 -0.0022 289 GLY A N +3605 N N B GLY A 289 ? 0.6628 0.5502 0.5759 -0.0011 -0.0110 -0.0022 289 GLY A N +3606 C CA A GLY A 289 ? 0.6833 0.5697 0.5944 -0.0035 -0.0109 -0.0023 289 GLY A CA +3607 C CA B GLY A 289 ? 0.6829 0.5694 0.5941 -0.0035 -0.0108 -0.0023 289 GLY A CA +3608 C C A GLY A 289 ? 0.6699 0.5614 0.5836 -0.0040 -0.0096 -0.0024 289 GLY A C +3609 C C B GLY A 289 ? 0.6708 0.5623 0.5844 -0.0041 -0.0095 -0.0024 289 GLY A C +3610 O O A GLY A 289 ? 0.6894 0.5805 0.6014 -0.0041 -0.0084 -0.0033 289 GLY A O +3611 O O B GLY A 289 ? 0.6910 0.5822 0.6030 -0.0042 -0.0084 -0.0033 289 GLY A O +3612 N N A ILE A 290 ? 0.6860 0.5821 0.6035 -0.0045 -0.0097 -0.0016 290 ILE A N +3613 N N B ILE A 290 ? 0.6887 0.5848 0.6061 -0.0045 -0.0097 -0.0016 290 ILE A N +3614 C CA A ILE A 290 ? 0.6852 0.5860 0.6051 -0.0052 -0.0084 -0.0016 290 ILE A CA +3615 C CA B ILE A 290 ? 0.6856 0.5865 0.6055 -0.0052 -0.0084 -0.0016 290 ILE A CA +3616 C C A ILE A 290 ? 0.6583 0.5606 0.5788 -0.0031 -0.0066 -0.0029 290 ILE A C +3617 C C B ILE A 290 ? 0.6584 0.5609 0.5790 -0.0032 -0.0065 -0.0029 290 ILE A C +3618 O O A ILE A 290 ? 0.6643 0.5677 0.5842 -0.0037 -0.0051 -0.0034 290 ILE A O +3619 O O B ILE A 290 ? 0.6648 0.5685 0.5849 -0.0038 -0.0051 -0.0034 290 ILE A O +3620 C CB A ILE A 290 ? 0.6556 0.5609 0.5795 -0.0057 -0.0089 -0.0007 290 ILE A CB +3621 C CB B ILE A 290 ? 0.6568 0.5620 0.5807 -0.0058 -0.0089 -0.0006 290 ILE A CB +3622 C CG1 A ILE A 290 ? 0.6101 0.5139 0.5335 -0.0077 -0.0106 0.0006 290 ILE A CG1 +3623 C CG1 B ILE A 290 ? 0.6099 0.5134 0.5330 -0.0078 -0.0106 0.0006 290 ILE A CG1 +3624 C CG2 A ILE A 290 ? 0.5507 0.4606 0.4771 -0.0065 -0.0074 -0.0008 290 ILE A CG2 +3625 C CG2 B ILE A 290 ? 0.5504 0.4604 0.4769 -0.0065 -0.0075 -0.0008 290 ILE A CG2 +3626 C CD1 A ILE A 290 ? 0.5870 0.4892 0.5080 -0.0100 -0.0107 0.0008 290 ILE A CD1 +3627 C CD1 B ILE A 290 ? 0.5862 0.4884 0.5072 -0.0100 -0.0107 0.0008 290 ILE A CD1 +3628 N N A SER A 291 ? 0.6520 0.5545 0.5737 -0.0006 -0.0066 -0.0034 291 SER A N +3629 N N B SER A 291 ? 0.6525 0.5550 0.5741 -0.0007 -0.0065 -0.0034 291 SER A N +3630 C CA A SER A 291 ? 0.6900 0.5946 0.6129 0.0015 -0.0048 -0.0047 291 SER A CA +3631 C CA B SER A 291 ? 0.6902 0.5949 0.6131 0.0015 -0.0048 -0.0047 291 SER A CA +3632 C C A SER A 291 ? 0.6883 0.5890 0.6071 0.0020 -0.0037 -0.0058 291 SER A C +3633 C C B SER A 291 ? 0.6890 0.5897 0.6078 0.0019 -0.0037 -0.0058 291 SER A C +3634 O O A SER A 291 ? 0.7245 0.6273 0.6440 0.0031 -0.0017 -0.0068 291 SER A O +3635 O O B SER A 291 ? 0.7298 0.6326 0.6492 0.0028 -0.0017 -0.0067 291 SER A O +3636 C CB A SER A 291 ? 0.6993 0.6049 0.6243 0.0043 -0.0053 -0.0050 291 SER A CB +3637 C CB B SER A 291 ? 0.7004 0.6059 0.6253 0.0043 -0.0053 -0.0050 291 SER A CB +3638 O OG A SER A 291 ? 0.6738 0.5831 0.6025 0.0040 -0.0063 -0.0042 291 SER A OG +3639 O OG B SER A 291 ? 0.6756 0.5853 0.6045 0.0040 -0.0061 -0.0042 291 SER A OG +3640 N N A THR A 292 ? 0.6092 0.5044 0.5238 0.0014 -0.0048 -0.0057 292 THR A N +3641 N N B THR A 292 ? 0.6071 0.5022 0.5216 0.0014 -0.0048 -0.0057 292 THR A N +3642 C CA A THR A 292 ? 0.6410 0.5323 0.5515 0.0018 -0.0039 -0.0068 292 THR A CA +3643 C CA B THR A 292 ? 0.6414 0.5326 0.5518 0.0018 -0.0039 -0.0068 292 THR A CA +3644 C C A THR A 292 ? 0.6468 0.5371 0.5549 -0.0007 -0.0037 -0.0066 292 THR A C +3645 C C B THR A 292 ? 0.6466 0.5370 0.5547 -0.0007 -0.0036 -0.0066 292 THR A C +3646 O O A THR A 292 ? 0.6416 0.5305 0.5470 -0.0004 -0.0023 -0.0075 292 THR A O +3647 O O B THR A 292 ? 0.6412 0.5304 0.5468 -0.0003 -0.0022 -0.0075 292 THR A O +3648 C CB A THR A 292 ? 0.7164 0.6016 0.6232 0.0029 -0.0051 -0.0071 292 THR A CB +3649 C CB B THR A 292 ? 0.7179 0.6029 0.6245 0.0027 -0.0052 -0.0071 292 THR A CB +3650 O OG1 A THR A 292 ? 0.6500 0.5325 0.5555 0.0007 -0.0070 -0.0061 292 THR A OG1 +3651 O OG1 B THR A 292 ? 0.6501 0.5328 0.5558 0.0006 -0.0071 -0.0059 292 THR A OG1 +3652 C CG2 A THR A 292 ? 0.7131 0.5988 0.6217 0.0058 -0.0052 -0.0074 292 THR A CG2 +3653 C CG2 B THR A 292 ? 0.7162 0.6014 0.6244 0.0057 -0.0052 -0.0075 292 THR A CG2 +3654 N N A MET A 293 ? 0.6561 0.5471 0.5649 -0.0030 -0.0050 -0.0054 293 MET A N +3655 N N B MET A 293 ? 0.6567 0.5478 0.5655 -0.0030 -0.0050 -0.0054 293 MET A N +3656 C CA A MET A 293 ? 0.6987 0.5900 0.6060 -0.0051 -0.0047 -0.0052 293 MET A CA +3657 C CA B MET A 293 ? 0.7002 0.5915 0.6074 -0.0051 -0.0047 -0.0052 293 MET A CA +3658 C C A MET A 293 ? 0.6353 0.5314 0.5451 -0.0050 -0.0027 -0.0053 293 MET A C +3659 C C B MET A 293 ? 0.6345 0.5306 0.5443 -0.0051 -0.0027 -0.0053 293 MET A C +3660 O O A MET A 293 ? 0.6568 0.5525 0.5645 -0.0061 -0.0018 -0.0055 293 MET A O +3661 O O B MET A 293 ? 0.6589 0.5547 0.5666 -0.0062 -0.0018 -0.0054 293 MET A O +3662 C CB A MET A 293 ? 0.6074 0.4986 0.5150 -0.0075 -0.0066 -0.0039 293 MET A CB +3663 C CB B MET A 293 ? 0.6061 0.4973 0.5137 -0.0075 -0.0066 -0.0039 293 MET A CB +3664 C CG A MET A 293 ? 0.6116 0.4974 0.5156 -0.0082 -0.0082 -0.0041 293 MET A CG +3665 C CG B MET A 293 ? 0.6111 0.4968 0.5151 -0.0082 -0.0082 -0.0041 293 MET A CG +3666 S SD A MET A 293 ? 0.6525 0.5379 0.5571 -0.0108 -0.0105 -0.0028 293 MET A SD +3667 S SD B MET A 293 ? 0.6513 0.5369 0.5561 -0.0108 -0.0104 -0.0027 293 MET A SD +3668 C CE A MET A 293 ? 0.6332 0.5194 0.5407 -0.0097 -0.0112 -0.0020 293 MET A CE +3669 C CE B MET A 293 ? 0.6332 0.5190 0.5405 -0.0096 -0.0112 -0.0020 293 MET A CE +3670 N N A ALA A 294 ? 0.6255 0.5258 0.5396 -0.0038 -0.0019 -0.0053 294 ALA A N +3671 N N B ALA A 294 ? 0.6255 0.5259 0.5396 -0.0038 -0.0020 -0.0053 294 ALA A N +3672 C CA A ALA A 294 ? 0.6246 0.5293 0.5412 -0.0035 0.0002 -0.0057 294 ALA A CA +3673 C CA B ALA A 294 ? 0.6243 0.5290 0.5409 -0.0036 0.0003 -0.0057 294 ALA A CA +3674 C C A ALA A 294 ? 0.6886 0.5916 0.6023 -0.0024 0.0023 -0.0070 294 ALA A C +3675 C C B ALA A 294 ? 0.6907 0.5936 0.6043 -0.0025 0.0023 -0.0070 294 ALA A C +3676 O O A ALA A 294 ? 0.6623 0.5675 0.5763 -0.0030 0.0043 -0.0072 294 ALA A O +3677 O O B ALA A 294 ? 0.6631 0.5684 0.5772 -0.0030 0.0042 -0.0072 294 ALA A O +3678 C CB A ALA A 294 ? 0.6112 0.5205 0.5328 -0.0020 0.0005 -0.0058 294 ALA A CB +3679 C CB B ALA A 294 ? 0.6110 0.5203 0.5326 -0.0020 0.0005 -0.0058 294 ALA A CB +3680 N N A PHE A 295 ? 0.6206 0.5194 0.5312 -0.0008 0.0020 -0.0078 295 PHE A N +3681 N N B PHE A 295 ? 0.6196 0.5183 0.5301 -0.0009 0.0019 -0.0078 295 PHE A N +3682 C CA A PHE A 295 ? 0.6652 0.5616 0.5724 0.0003 0.0038 -0.0091 295 PHE A CA +3683 C CA B PHE A 295 ? 0.6651 0.5615 0.5723 0.0002 0.0038 -0.0091 295 PHE A CA +3684 C C A PHE A 295 ? 0.6812 0.5719 0.5827 -0.0010 0.0028 -0.0092 295 PHE A C +3685 C C B PHE A 295 ? 0.6820 0.5727 0.5834 -0.0010 0.0027 -0.0092 295 PHE A C +3686 O O A PHE A 295 ? 0.6907 0.5778 0.5884 0.0002 0.0035 -0.0103 295 PHE A O +3687 O O B PHE A 295 ? 0.6924 0.5794 0.5900 0.0002 0.0034 -0.0103 295 PHE A O +3688 C CB A PHE A 295 ? 0.6639 0.5600 0.5718 0.0033 0.0045 -0.0102 295 PHE A CB +3689 C CB B PHE A 295 ? 0.6646 0.5607 0.5724 0.0032 0.0045 -0.0102 295 PHE A CB +3690 C CG A PHE A 295 ? 0.6445 0.5464 0.5581 0.0046 0.0052 -0.0102 295 PHE A CG +3691 C CG B PHE A 295 ? 0.6437 0.5456 0.5574 0.0045 0.0051 -0.0102 295 PHE A CG +3692 C CD1 A PHE A 295 ? 0.6242 0.5310 0.5408 0.0047 0.0076 -0.0107 295 PHE A CD1 +3693 C CD1 B PHE A 295 ? 0.6248 0.5317 0.5415 0.0045 0.0075 -0.0106 295 PHE A CD1 +3694 C CD2 A PHE A 295 ? 0.6741 0.5766 0.5903 0.0055 0.0033 -0.0097 295 PHE A CD2 +3695 C CD2 B PHE A 295 ? 0.6744 0.5766 0.5903 0.0056 0.0033 -0.0098 295 PHE A CD2 +3696 C CE1 A PHE A 295 ? 0.6962 0.6087 0.6185 0.0057 0.0080 -0.0108 295 PHE A CE1 +3697 C CE1 B PHE A 295 ? 0.6985 0.6111 0.6210 0.0055 0.0079 -0.0107 295 PHE A CE1 +3698 C CE2 A PHE A 295 ? 0.6991 0.6071 0.6206 0.0068 0.0037 -0.0098 295 PHE A CE2 +3699 C CE2 B PHE A 295 ? 0.7014 0.6091 0.6227 0.0068 0.0036 -0.0098 295 PHE A CE2 +3700 C CZ A PHE A 295 ? 0.7098 0.6230 0.6346 0.0068 0.0059 -0.0104 295 PHE A CZ +3701 C CZ B PHE A 295 ? 0.7096 0.6226 0.6343 0.0068 0.0058 -0.0103 295 PHE A CZ +3702 N N A ASN A 296 ? 0.6675 0.5576 0.5686 -0.0032 0.0010 -0.0081 296 ASN A N +3703 N N B ASN A 296 ? 0.6669 0.5570 0.5678 -0.0033 0.0010 -0.0081 296 ASN A N +3704 C CA A ASN A 296 ? 0.6943 0.5804 0.5907 -0.0048 0.0000 -0.0081 296 ASN A CA +3705 C CA B ASN A 296 ? 0.6955 0.5815 0.5918 -0.0049 0.0000 -0.0081 296 ASN A CA +3706 C C A ASN A 296 ? 0.7307 0.6111 0.6232 -0.0042 -0.0014 -0.0088 296 ASN A C +3707 C C B ASN A 296 ? 0.7328 0.6132 0.6252 -0.0043 -0.0014 -0.0088 296 ASN A C +3708 O O A ASN A 296 ? 0.6921 0.5687 0.5801 -0.0047 -0.0016 -0.0094 296 ASN A O +3709 O O B ASN A 296 ? 0.6923 0.5688 0.5802 -0.0048 -0.0017 -0.0094 296 ASN A O +3710 C CB A ASN A 296 ? 0.6962 0.5821 0.5899 -0.0050 0.0021 -0.0087 296 ASN A CB +3711 C CB B ASN A 296 ? 0.6958 0.5815 0.5893 -0.0051 0.0020 -0.0086 296 ASN A CB +3712 C CG A ASN A 296 ? 0.7271 0.6179 0.6241 -0.0059 0.0035 -0.0079 296 ASN A CG +3713 C CG B ASN A 296 ? 0.7284 0.6190 0.6251 -0.0060 0.0035 -0.0079 296 ASN A CG +3714 O OD1 A ASN A 296 ? 0.7345 0.6278 0.6342 -0.0073 0.0023 -0.0068 296 ASN A OD1 +3715 O OD1 B ASN A 296 ? 0.7379 0.6309 0.6372 -0.0075 0.0023 -0.0068 296 ASN A OD1 +3716 N ND2 A ASN A 296 ? 0.7391 0.6314 0.6358 -0.0051 0.0062 -0.0086 296 ASN A ND2 +3717 N ND2 B ASN A 296 ? 0.7404 0.6325 0.6369 -0.0051 0.0061 -0.0086 296 ASN A ND2 +3718 N N A LEU A 297 ? 0.6335 0.5132 0.5276 -0.0031 -0.0024 -0.0088 297 LEU A N +3719 N N B LEU A 297 ? 0.6328 0.5124 0.5268 -0.0030 -0.0022 -0.0088 297 LEU A N +3720 C CA A LEU A 297 ? 0.6790 0.5531 0.5696 -0.0031 -0.0040 -0.0092 297 LEU A CA +3721 C CA B LEU A 297 ? 0.6797 0.5539 0.5703 -0.0030 -0.0039 -0.0092 297 LEU A CA +3722 C C A LEU A 297 ? 0.6701 0.5440 0.5617 -0.0054 -0.0062 -0.0080 297 LEU A C +3723 C C B LEU A 297 ? 0.6705 0.5447 0.5623 -0.0053 -0.0062 -0.0080 297 LEU A C +3724 O O A LEU A 297 ? 0.6991 0.5747 0.5938 -0.0053 -0.0070 -0.0071 297 LEU A O +3725 O O B LEU A 297 ? 0.7047 0.5810 0.5999 -0.0053 -0.0069 -0.0071 297 LEU A O +3726 C CB A LEU A 297 ? 0.6454 0.5180 0.5364 -0.0005 -0.0037 -0.0099 297 LEU A CB +3727 C CB B LEU A 297 ? 0.6452 0.5180 0.5364 -0.0005 -0.0037 -0.0098 297 LEU A CB +3728 C CG A LEU A 297 ? 0.7128 0.5789 0.5996 -0.0002 -0.0050 -0.0105 297 LEU A CG +3729 C CG B LEU A 297 ? 0.7141 0.5803 0.6009 -0.0002 -0.0050 -0.0105 297 LEU A CG +3730 C CD1 A LEU A 297 ? 0.6699 0.5319 0.5515 -0.0004 -0.0045 -0.0118 297 LEU A CD1 +3731 C CD1 B LEU A 297 ? 0.6705 0.5331 0.5524 -0.0003 -0.0043 -0.0118 297 LEU A CD1 +3732 C CD2 A LEU A 297 ? 0.7011 0.5659 0.5885 0.0026 -0.0047 -0.0110 297 LEU A CD2 +3733 C CD2 B LEU A 297 ? 0.7015 0.5662 0.5888 0.0026 -0.0047 -0.0110 297 LEU A CD2 +3734 N N A ASN A 298 ? 0.6468 0.5186 0.5355 -0.0074 -0.0073 -0.0080 298 ASN A N +3735 N N B ASN A 298 ? 0.6462 0.5184 0.5353 -0.0073 -0.0072 -0.0079 298 ASN A N +3736 C CA A ASN A 298 ? 0.6440 0.5173 0.5344 -0.0097 -0.0090 -0.0068 298 ASN A CA +3737 C CA B ASN A 298 ? 0.6435 0.5169 0.5340 -0.0097 -0.0089 -0.0068 298 ASN A CA +3738 C C A ASN A 298 ? 0.6834 0.5528 0.5723 -0.0108 -0.0110 -0.0068 298 ASN A C +3739 C C B ASN A 298 ? 0.6845 0.5539 0.5734 -0.0108 -0.0110 -0.0068 298 ASN A C +3740 O O A ASN A 298 ? 0.6631 0.5281 0.5493 -0.0099 -0.0112 -0.0077 298 ASN A O +3741 O O B ASN A 298 ? 0.6621 0.5271 0.5481 -0.0098 -0.0111 -0.0077 298 ASN A O +3742 C CB A ASN A 298 ? 0.5973 0.4716 0.4863 -0.0111 -0.0089 -0.0067 298 ASN A CB +3743 C CB B ASN A 298 ? 0.5956 0.4700 0.4846 -0.0111 -0.0088 -0.0067 298 ASN A CB +3744 C CG A ASN A 298 ? 0.6875 0.5659 0.5784 -0.0104 -0.0068 -0.0065 298 ASN A CG +3745 C CG B ASN A 298 ? 0.6891 0.5676 0.5800 -0.0104 -0.0067 -0.0065 298 ASN A CG +3746 O OD1 A ASN A 298 ? 0.6752 0.5572 0.5700 -0.0096 -0.0060 -0.0060 298 ASN A OD1 +3747 O OD1 B ASN A 298 ? 0.6760 0.5582 0.5709 -0.0096 -0.0059 -0.0060 298 ASN A OD1 +3748 N ND2 A ASN A 298 ? 0.6343 0.5122 0.5224 -0.0107 -0.0058 -0.0069 298 ASN A ND2 +3749 N ND2 B ASN A 298 ? 0.6330 0.5107 0.5209 -0.0107 -0.0058 -0.0070 298 ASN A ND2 +3750 N N A GLY A 299 ? 0.6536 0.5246 0.5444 -0.0129 -0.0125 -0.0057 299 GLY A N +3751 N N B GLY A 299 ? 0.6551 0.5259 0.5457 -0.0128 -0.0125 -0.0057 299 GLY A N +3752 C CA A GLY A 299 ? 0.6550 0.5227 0.5447 -0.0144 -0.0143 -0.0056 299 GLY A CA +3753 C CA B GLY A 299 ? 0.6557 0.5232 0.5453 -0.0142 -0.0143 -0.0057 299 GLY A CA +3754 C C A GLY A 299 ? 0.7215 0.5846 0.6066 -0.0151 -0.0152 -0.0068 299 GLY A C +3755 C C B GLY A 299 ? 0.7245 0.5874 0.6095 -0.0150 -0.0151 -0.0069 299 GLY A C +3756 O O A GLY A 299 ? 0.6590 0.5216 0.5416 -0.0148 -0.0145 -0.0076 299 GLY A O +3757 O O B GLY A 299 ? 0.6583 0.5209 0.5409 -0.0147 -0.0145 -0.0077 299 GLY A O +3758 N N A PHE A 300 ? 0.6910 0.5505 0.5749 -0.0162 -0.0166 -0.0070 300 PHE A N +3759 N N B PHE A 300 ? 0.6924 0.5516 0.5761 -0.0161 -0.0165 -0.0071 300 PHE A N +3760 C CA A PHE A 300 ? 0.6677 0.5225 0.5473 -0.0172 -0.0176 -0.0083 300 PHE A CA +3761 C CA B PHE A 300 ? 0.6662 0.5208 0.5457 -0.0171 -0.0176 -0.0084 300 PHE A CA +3762 C C A PHE A 300 ? 0.6967 0.5532 0.5756 -0.0188 -0.0185 -0.0084 300 PHE A C +3763 C C B PHE A 300 ? 0.6976 0.5540 0.5764 -0.0187 -0.0184 -0.0085 300 PHE A C +3764 O O A PHE A 300 ? 0.6309 0.4911 0.5127 -0.0203 -0.0192 -0.0074 300 PHE A O +3765 O O B PHE A 300 ? 0.6301 0.4902 0.5118 -0.0202 -0.0191 -0.0074 300 PHE A O +3766 C CB A PHE A 300 ? 0.6483 0.4996 0.5275 -0.0188 -0.0192 -0.0083 300 PHE A CB +3767 C CB B PHE A 300 ? 0.6477 0.4988 0.5267 -0.0187 -0.0191 -0.0083 300 PHE A CB +3768 C CG A PHE A 300 ? 0.7273 0.5750 0.6055 -0.0172 -0.0186 -0.0084 300 PHE A CG +3769 C CG B PHE A 300 ? 0.7272 0.5747 0.6052 -0.0171 -0.0185 -0.0085 300 PHE A CG +3770 C CD1 A PHE A 300 ? 0.6861 0.5296 0.5605 -0.0153 -0.0178 -0.0098 300 PHE A CD1 +3771 C CD1 B PHE A 300 ? 0.6861 0.5295 0.5603 -0.0152 -0.0178 -0.0099 300 PHE A CD1 +3772 C CD2 A PHE A 300 ? 0.6971 0.5454 0.5779 -0.0174 -0.0188 -0.0073 300 PHE A CD2 +3773 C CD2 B PHE A 300 ? 0.6993 0.5472 0.5798 -0.0173 -0.0188 -0.0074 300 PHE A CD2 +3774 C CE1 A PHE A 300 ? 0.7508 0.5907 0.6241 -0.0136 -0.0174 -0.0100 300 PHE A CE1 +3775 C CE1 B PHE A 300 ? 0.7505 0.5902 0.6235 -0.0135 -0.0173 -0.0101 300 PHE A CE1 +3776 C CE2 A PHE A 300 ? 0.7500 0.5945 0.6295 -0.0157 -0.0184 -0.0074 300 PHE A CE2 +3777 C CE2 B PHE A 300 ? 0.7504 0.5946 0.6296 -0.0156 -0.0183 -0.0075 300 PHE A CE2 +3778 C CZ A PHE A 300 ? 0.6775 0.5179 0.5533 -0.0138 -0.0177 -0.0087 300 PHE A CZ +3779 C CZ B PHE A 300 ? 0.6767 0.5169 0.5523 -0.0136 -0.0176 -0.0089 300 PHE A CZ +3780 N N A ASN A 301 ? 0.7011 0.5548 0.5759 -0.0184 -0.0184 -0.0097 301 ASN A N +3781 N N B ASN A 301 ? 0.7025 0.5560 0.5771 -0.0183 -0.0184 -0.0098 301 ASN A N +3782 C CA A ASN A 301 ? 0.6888 0.5431 0.5617 -0.0196 -0.0193 -0.0101 301 ASN A CA +3783 C CA B ASN A 301 ? 0.6894 0.5437 0.5624 -0.0195 -0.0193 -0.0101 301 ASN A CA +3784 C C A ASN A 301 ? 0.7682 0.6181 0.6378 -0.0211 -0.0213 -0.0113 301 ASN A C +3785 C C B ASN A 301 ? 0.7714 0.6213 0.6410 -0.0211 -0.0213 -0.0113 301 ASN A C +3786 O O A ASN A 301 ? 0.7132 0.5587 0.5787 -0.0202 -0.0211 -0.0127 301 ASN A O +3787 O O B ASN A 301 ? 0.7147 0.5601 0.5801 -0.0202 -0.0211 -0.0127 301 ASN A O +3788 C CB A ASN A 301 ? 0.6259 0.4803 0.4963 -0.0178 -0.0176 -0.0107 301 ASN A CB +3789 C CB B ASN A 301 ? 0.6242 0.4788 0.4947 -0.0178 -0.0176 -0.0106 301 ASN A CB +3790 C CG A ASN A 301 ? 0.6859 0.5411 0.5542 -0.0188 -0.0185 -0.0109 301 ASN A CG +3791 C CG B ASN A 301 ? 0.6861 0.5414 0.5545 -0.0188 -0.0185 -0.0108 301 ASN A CG +3792 O OD1 A ASN A 301 ? 0.6743 0.5285 0.5418 -0.0206 -0.0207 -0.0112 301 ASN A OD1 +3793 O OD1 B ASN A 301 ? 0.6741 0.5285 0.5419 -0.0206 -0.0207 -0.0111 301 ASN A OD1 +3794 N ND2 A ASN A 301 ? 0.6598 0.5166 0.5271 -0.0177 -0.0169 -0.0108 301 ASN A ND2 +3795 N ND2 B ASN A 301 ? 0.6591 0.5159 0.5265 -0.0177 -0.0169 -0.0107 301 ASN A ND2 +3796 N N . PHE A 302 ? 0.6482 0.4994 0.5196 -0.0234 -0.0232 -0.0110 302 PHE A N +3797 C CA . PHE A 302 ? 0.6624 0.5103 0.5312 -0.0252 -0.0252 -0.0122 302 PHE A CA +3798 C C . PHE A 302 ? 0.7377 0.5878 0.6061 -0.0263 -0.0267 -0.0124 302 PHE A C +3799 O O . PHE A 302 ? 0.7184 0.5682 0.5869 -0.0284 -0.0287 -0.0129 302 PHE A O +3800 C CB . PHE A 302 ? 0.6241 0.4712 0.4954 -0.0270 -0.0263 -0.0118 302 PHE A CB +3801 C CG . PHE A 302 ? 0.6629 0.5072 0.5341 -0.0258 -0.0250 -0.0116 302 PHE A CG +3802 C CD1 . PHE A 302 ? 0.8323 0.6713 0.6993 -0.0245 -0.0245 -0.0129 302 PHE A CD1 +3803 C CD2 . PHE A 302 ? 0.7051 0.5517 0.5801 -0.0258 -0.0244 -0.0101 302 PHE A CD2 +3804 C CE1 . PHE A 302 ? 0.7676 0.6036 0.6342 -0.0230 -0.0234 -0.0127 302 PHE A CE1 +3805 C CE2 . PHE A 302 ? 0.7721 0.6159 0.6468 -0.0244 -0.0234 -0.0099 302 PHE A CE2 +3806 C CZ . PHE A 302 ? 0.7851 0.6236 0.6557 -0.0230 -0.0229 -0.0112 302 PHE A CZ +3807 N N A ASN A 303 ? 0.6796 0.5320 0.5473 -0.0250 -0.0256 -0.0120 303 ASN A N +3808 N N B ASN A 303 ? 0.6803 0.5325 0.5478 -0.0250 -0.0256 -0.0121 303 ASN A N +3809 C CA A ASN A 303 ? 0.6458 0.5000 0.5126 -0.0257 -0.0270 -0.0121 303 ASN A CA +3810 C CA B ASN A 303 ? 0.6454 0.4996 0.5121 -0.0257 -0.0269 -0.0122 303 ASN A CA +3811 C C A ASN A 303 ? 0.7285 0.5784 0.5901 -0.0261 -0.0284 -0.0139 303 ASN A C +3812 C C B ASN A 303 ? 0.7295 0.5793 0.5910 -0.0261 -0.0284 -0.0140 303 ASN A C +3813 O O A ASN A 303 ? 0.7005 0.5468 0.5580 -0.0245 -0.0273 -0.0149 303 ASN A O +3814 O O B ASN A 303 ? 0.7011 0.5474 0.5585 -0.0245 -0.0273 -0.0149 303 ASN A O +3815 C CB A ASN A 303 ? 0.6586 0.5154 0.5252 -0.0242 -0.0252 -0.0113 303 ASN A CB +3816 C CB B ASN A 303 ? 0.6579 0.5147 0.5244 -0.0241 -0.0252 -0.0113 303 ASN A CB +3817 C CG A ASN A 303 ? 0.7143 0.5756 0.5860 -0.0239 -0.0239 -0.0096 303 ASN A CG +3818 C CG B ASN A 303 ? 0.7162 0.5775 0.5879 -0.0239 -0.0238 -0.0096 303 ASN A CG +3819 O OD1 A ASN A 303 ? 0.6661 0.5297 0.5416 -0.0253 -0.0248 -0.0088 303 ASN A OD1 +3820 O OD1 B ASN A 303 ? 0.6659 0.5293 0.5413 -0.0252 -0.0247 -0.0088 303 ASN A OD1 +3821 N ND2 A ASN A 303 ? 0.6518 0.5145 0.5235 -0.0223 -0.0216 -0.0091 303 ASN A ND2 +3822 N ND2 B ASN A 303 ? 0.6506 0.5134 0.5224 -0.0222 -0.0216 -0.0091 303 ASN A ND2 +3823 N N . HIS A 304 ? 0.7039 0.5541 0.5659 -0.0281 -0.0310 -0.0145 304 HIS A N +3824 C CA . HIS A 304 ? 0.7086 0.5550 0.5661 -0.0287 -0.0328 -0.0163 304 HIS A CA +3825 C C . HIS A 304 ? 0.7700 0.6110 0.6249 -0.0287 -0.0326 -0.0176 304 HIS A C +3826 O O . HIS A 304 ? 0.8093 0.6460 0.6591 -0.0281 -0.0330 -0.0191 304 HIS A O +3827 C CB . HIS A 304 ? 0.7028 0.5480 0.5556 -0.0271 -0.0325 -0.0169 304 HIS A CB +3828 C CG . HIS A 304 ? 0.7636 0.6131 0.6179 -0.0269 -0.0328 -0.0158 304 HIS A CG +3829 N ND1 . HIS A 304 ? 0.7334 0.5819 0.5833 -0.0257 -0.0328 -0.0162 304 HIS A ND1 +3830 C CD2 . HIS A 304 ? 0.7789 0.6333 0.6381 -0.0278 -0.0331 -0.0144 304 HIS A CD2 +3831 C CE1 . HIS A 304 ? 0.7319 0.5845 0.5841 -0.0258 -0.0331 -0.0150 304 HIS A CE1 +3832 N NE2 . HIS A 304 ? 0.7365 0.5928 0.5943 -0.0270 -0.0334 -0.0140 304 HIS A NE2 +3833 N N . SER A 305 ? 0.7582 0.5991 0.6162 -0.0292 -0.0319 -0.0169 305 SER A N +3834 C CA . SER A 305 ? 0.7493 0.5849 0.6049 -0.0292 -0.0317 -0.0180 305 SER A CA +3835 C C . SER A 305 ? 0.7903 0.6231 0.6445 -0.0317 -0.0343 -0.0194 305 SER A C +3836 O O . SER A 305 ? 0.8726 0.7000 0.7227 -0.0316 -0.0345 -0.0209 305 SER A O +3837 C CB . SER A 305 ? 0.7216 0.5577 0.5807 -0.0290 -0.0303 -0.0167 305 SER A CB +3838 O OG . SER A 305 ? 0.7331 0.5690 0.5916 -0.0264 -0.0278 -0.0162 305 SER A OG +3839 N N . VAL A 306 ? 0.7662 0.6027 0.6238 -0.0339 -0.0361 -0.0191 306 VAL A N +3840 C CA . VAL A 306 ? 0.6858 0.5206 0.5429 -0.0365 -0.0386 -0.0205 306 VAL A CA +3841 C C . VAL A 306 ? 0.7825 0.6180 0.6370 -0.0367 -0.0406 -0.0217 306 VAL A C +3842 O O . VAL A 306 ? 0.7112 0.5515 0.5679 -0.0365 -0.0411 -0.0209 306 VAL A O +3843 C CB . VAL A 306 ? 0.7480 0.5864 0.6107 -0.0390 -0.0393 -0.0196 306 VAL A CB +3844 C CG1 . VAL A 306 ? 0.7369 0.5738 0.5993 -0.0419 -0.0419 -0.0212 306 VAL A CG1 +3845 C CG2 . VAL A 306 ? 0.6403 0.4776 0.5051 -0.0388 -0.0374 -0.0183 306 VAL A CG2 +3846 N N . ILE A 307 ? 0.7988 0.6294 0.6487 -0.0371 -0.0419 -0.0237 307 ILE A N +3847 C CA . ILE A 307 ? 0.9296 0.7592 0.7755 -0.0369 -0.0439 -0.0252 307 ILE A CA +3848 C C . ILE A 307 ? 0.7606 0.5883 0.6061 -0.0397 -0.0466 -0.0271 307 ILE A C +3849 O O . ILE A 307 ? 0.7513 0.5748 0.5959 -0.0408 -0.0464 -0.0278 307 ILE A O +3850 C CB . ILE A 307 ? 0.8767 0.7013 0.7162 -0.0343 -0.0424 -0.0260 307 ILE A CB +3851 C CG1 . ILE A 307 ? 1.0149 0.8420 0.8553 -0.0318 -0.0396 -0.0243 307 ILE A CG1 +3852 C CG2 . ILE A 307 ? 1.0357 0.8586 0.8704 -0.0341 -0.0444 -0.0276 307 ILE A CG2 +3853 C CD1 . ILE A 307 ? 0.8776 0.7098 0.7197 -0.0315 -0.0402 -0.0233 307 ILE A CD1 +3854 N N . ASP A 308 ? 0.7815 0.6120 0.6274 -0.0408 -0.0493 -0.0279 308 ASP A N +3855 C CA . ASP A 308 ? 0.7776 0.6065 0.6234 -0.0436 -0.0520 -0.0298 308 ASP A CA +3856 C C . ASP A 308 ? 0.8317 0.6546 0.6706 -0.0430 -0.0532 -0.0320 308 ASP A C +3857 O O . ASP A 308 ? 0.8361 0.6556 0.6701 -0.0404 -0.0516 -0.0321 308 ASP A O +3858 C CB . ASP A 308 ? 0.8055 0.6406 0.6556 -0.0453 -0.0546 -0.0298 308 ASP A CB +3859 C CG . ASP A 308 ? 0.8990 0.7348 0.7455 -0.0439 -0.0567 -0.0309 308 ASP A CG +3860 O OD1 . ASP A 308 ? 0.7611 0.5932 0.6016 -0.0416 -0.0560 -0.0313 308 ASP A OD1 +3861 O OD2 . ASP A 308 ? 0.8331 0.6734 0.6826 -0.0453 -0.0591 -0.0313 308 ASP A OD2 +3862 N N . ALA A 309 ? 0.7785 0.6000 0.6169 -0.0455 -0.0560 -0.0340 309 ALA A N +3863 C CA . ALA A 309 ? 0.9524 0.7676 0.7841 -0.0452 -0.0572 -0.0363 309 ALA A CA +3864 C C . ALA A 309 ? 0.8394 0.6543 0.6661 -0.0427 -0.0579 -0.0368 309 ALA A C +3865 O O . ALA A 309 ? 0.8011 0.6105 0.6214 -0.0409 -0.0572 -0.0377 309 ALA A O +3866 C CB . ALA A 309 ? 0.7772 0.5917 0.6098 -0.0486 -0.0604 -0.0384 309 ALA A CB +3867 N N . LYS A 310 ? 0.8128 0.6334 0.6421 -0.0425 -0.0593 -0.0361 310 LYS A N +3868 C CA . LYS A 310 ? 0.7920 0.6121 0.6163 -0.0400 -0.0598 -0.0364 310 LYS A CA +3869 C C . LYS A 310 ? 0.9442 0.7638 0.7668 -0.0370 -0.0563 -0.0345 310 LYS A C +3870 O O . LYS A 310 ? 0.8559 0.6728 0.6727 -0.0347 -0.0558 -0.0349 310 LYS A O +3871 C CB . LYS A 310 ? 0.7383 0.5642 0.5655 -0.0405 -0.0624 -0.0362 310 LYS A CB +3872 C CG . LYS A 310 ? 0.8236 0.6487 0.6453 -0.0380 -0.0634 -0.0366 310 LYS A CG +3873 C CD . LYS A 310 ? 0.8465 0.6777 0.6716 -0.0385 -0.0660 -0.0363 310 LYS A CD +3874 C CE . LYS A 310 ? 0.7936 0.6237 0.6129 -0.0360 -0.0670 -0.0366 310 LYS A CE +3875 N NZ . LYS A 310 ? 0.8598 0.6960 0.6829 -0.0361 -0.0694 -0.0361 310 LYS A NZ +3876 N N . GLY A 311 ? 0.9104 0.7326 0.7378 -0.0369 -0.0537 -0.0326 311 GLY A N +3877 C CA . GLY A 311 ? 0.6882 0.5112 0.5153 -0.0344 -0.0505 -0.0307 311 GLY A CA +3878 C C . GLY A 311 ? 0.8288 0.6584 0.6611 -0.0342 -0.0501 -0.0287 311 GLY A C +3879 O O . GLY A 311 ? 0.7514 0.5821 0.5833 -0.0321 -0.0476 -0.0272 311 GLY A O +3880 N N . ASN A 312 ? 0.7117 0.5458 0.5486 -0.0362 -0.0524 -0.0287 312 ASN A N +3881 C CA . ASN A 312 ? 0.8419 0.6822 0.6842 -0.0361 -0.0519 -0.0267 312 ASN A CA +3882 C C . ASN A 312 ? 0.9115 0.7529 0.7579 -0.0361 -0.0490 -0.0250 312 ASN A C +3883 O O . ASN A 312 ? 0.7897 0.6286 0.6371 -0.0374 -0.0484 -0.0254 312 ASN A O +3884 C CB . ASN A 312 ? 0.7606 0.6054 0.6076 -0.0385 -0.0548 -0.0271 312 ASN A CB +3885 C CG . ASN A 312 ? 0.8352 0.6799 0.6790 -0.0385 -0.0580 -0.0288 312 ASN A CG +3886 O OD1 . ASN A 312 ? 0.8980 0.7430 0.7386 -0.0364 -0.0581 -0.0284 312 ASN A OD1 +3887 N ND2 . ASN A 312 ? 0.8300 0.6741 0.6744 -0.0408 -0.0607 -0.0307 312 ASN A ND2 +3888 N N . VAL A 313 ? 0.8019 0.6468 0.6505 -0.0347 -0.0471 -0.0230 313 VAL A N +3889 C CA . VAL A 313 ? 0.7008 0.5477 0.5539 -0.0347 -0.0447 -0.0213 313 VAL A CA +3890 C C . VAL A 313 ? 0.7558 0.6067 0.6149 -0.0372 -0.0461 -0.0209 313 VAL A C +3891 O O . VAL A 313 ? 0.7540 0.6090 0.6155 -0.0380 -0.0480 -0.0209 313 VAL A O +3892 C CB . VAL A 313 ? 0.8579 0.7074 0.7116 -0.0326 -0.0425 -0.0195 313 VAL A CB +3893 C CG1 . VAL A 313 ? 0.6654 0.5178 0.5244 -0.0329 -0.0405 -0.0177 313 VAL A CG1 +3894 C CG2 . VAL A 313 ? 0.7423 0.5877 0.5901 -0.0302 -0.0406 -0.0199 313 VAL A CG2 +3895 N N . ILE A 314 ? 0.7069 0.5566 0.5684 -0.0384 -0.0451 -0.0207 314 ILE A N +3896 C CA . ILE A 314 ? 0.7265 0.5800 0.5939 -0.0407 -0.0456 -0.0199 314 ILE A CA +3897 C C . ILE A 314 ? 0.7276 0.5835 0.5984 -0.0396 -0.0430 -0.0178 314 ILE A C +3898 O O . ILE A 314 ? 0.7449 0.5978 0.6146 -0.0387 -0.0410 -0.0174 314 ILE A O +3899 C CB . ILE A 314 ? 0.7616 0.6117 0.6292 -0.0430 -0.0464 -0.0212 314 ILE A CB +3900 C CG1 . ILE A 314 ? 0.7396 0.5866 0.6031 -0.0439 -0.0490 -0.0235 314 ILE A CG1 +3901 C CG2 . ILE A 314 ? 0.7475 0.6016 0.6212 -0.0454 -0.0468 -0.0204 314 ILE A CG2 +3902 C CD1 . ILE A 314 ? 0.6962 0.5477 0.5616 -0.0448 -0.0517 -0.0241 314 ILE A CD1 +3903 N N . ASN A 315 ? 0.7347 0.5961 0.6096 -0.0397 -0.0431 -0.0165 315 ASN A N +3904 C CA . ASN A 315 ? 0.6324 0.4961 0.5102 -0.0386 -0.0408 -0.0145 315 ASN A CA +3905 C C . ASN A 315 ? 0.8088 0.6721 0.6898 -0.0401 -0.0399 -0.0139 315 ASN A C +3906 O O . ASN A 315 ? 0.7100 0.5737 0.5931 -0.0425 -0.0414 -0.0145 315 ASN A O +3907 C CB . ASN A 315 ? 0.6798 0.5492 0.5609 -0.0383 -0.0411 -0.0133 315 ASN A CB +3908 C CG . ASN A 315 ? 0.7826 0.6520 0.6602 -0.0362 -0.0409 -0.0132 315 ASN A CG +3909 O OD1 . ASN A 315 ? 0.7655 0.6315 0.6391 -0.0345 -0.0396 -0.0135 315 ASN A OD1 +3910 N ND2 . ASN A 315 ? 0.8105 0.6838 0.6897 -0.0362 -0.0422 -0.0129 315 ASN A ND2 +3911 N N . THR A 316 ? 0.6513 0.5138 0.5327 -0.0387 -0.0376 -0.0127 316 THR A N +3912 C CA . THR A 316 ? 0.6167 0.4795 0.5014 -0.0397 -0.0366 -0.0117 316 THR A CA +3913 C C . THR A 316 ? 0.6397 0.5072 0.5281 -0.0387 -0.0353 -0.0098 316 THR A C +3914 O O . THR A 316 ? 0.6593 0.5294 0.5475 -0.0373 -0.0350 -0.0093 316 THR A O +3915 C CB . THR A 316 ? 0.7630 0.6205 0.6449 -0.0388 -0.0351 -0.0120 316 THR A CB +3916 O OG1 . THR A 316 ? 0.6778 0.5354 0.5584 -0.0360 -0.0332 -0.0113 316 THR A OG1 +3917 C CG2 . THR A 316 ? 0.6678 0.5201 0.5453 -0.0394 -0.0364 -0.0140 316 THR A CG2 +3918 N N . TRP A 317 ? 0.7048 0.5731 0.5963 -0.0395 -0.0344 -0.0087 317 TRP A N +3919 C CA . TRP A 317 ? 0.6297 0.5018 0.5244 -0.0384 -0.0330 -0.0069 317 TRP A CA +3920 C C . TRP A 317 ? 0.6556 0.5271 0.5483 -0.0358 -0.0313 -0.0065 317 TRP A C +3921 O O . TRP A 317 ? 0.6840 0.5590 0.5786 -0.0347 -0.0304 -0.0054 317 TRP A O +3922 C CB . TRP A 317 ? 0.5782 0.4503 0.4757 -0.0395 -0.0322 -0.0059 317 TRP A CB +3923 C CG . TRP A 317 ? 0.6516 0.5264 0.5524 -0.0421 -0.0335 -0.0059 317 TRP A CG +3924 C CD1 . TRP A 317 ? 0.6651 0.5377 0.5662 -0.0444 -0.0342 -0.0065 317 TRP A CD1 +3925 C CD2 . TRP A 317 ? 0.6751 0.5553 0.5794 -0.0426 -0.0341 -0.0051 317 TRP A CD2 +3926 N NE1 . TRP A 317 ? 0.6624 0.5391 0.5673 -0.0464 -0.0351 -0.0063 317 TRP A NE1 +3927 C CE2 . TRP A 317 ? 0.7030 0.5844 0.6100 -0.0452 -0.0351 -0.0054 317 TRP A CE2 +3928 C CE3 . TRP A 317 ? 0.6850 0.5691 0.5905 -0.0411 -0.0337 -0.0043 317 TRP A CE3 +3929 C CZ2 . TRP A 317 ? 0.6262 0.5128 0.5370 -0.0463 -0.0358 -0.0049 317 TRP A CZ2 +3930 C CZ3 . TRP A 317 ? 0.6004 0.4894 0.5096 -0.0421 -0.0345 -0.0037 317 TRP A CZ3 +3931 C CH2 . TRP A 317 ? 0.6290 0.5193 0.5408 -0.0446 -0.0356 -0.0041 317 TRP A CH2 +3932 N N . ALA A 318 ? 0.6788 0.5457 0.5677 -0.0346 -0.0307 -0.0075 318 ALA A N +3933 C CA . ALA A 318 ? 0.6982 0.5648 0.5853 -0.0321 -0.0290 -0.0072 318 ALA A CA +3934 C C . ALA A 318 ? 0.6618 0.5306 0.5477 -0.0314 -0.0293 -0.0074 318 ALA A C +3935 O O . ALA A 318 ? 0.7074 0.5783 0.5939 -0.0299 -0.0278 -0.0065 318 ALA A O +3936 C CB . ALA A 318 ? 0.5781 0.4394 0.4611 -0.0310 -0.0283 -0.0084 318 ALA A CB +3937 N N . ASP A 319 ? 0.6267 0.4948 0.5107 -0.0324 -0.0311 -0.0085 319 ASP A N +3938 C CA . ASP A 319 ? 0.6997 0.5694 0.5819 -0.0317 -0.0316 -0.0086 319 ASP A CA +3939 C C . ASP A 319 ? 0.6719 0.5467 0.5579 -0.0320 -0.0317 -0.0073 319 ASP A C +3940 O O . ASP A 319 ? 0.6107 0.4871 0.4959 -0.0308 -0.0311 -0.0067 319 ASP A O +3941 C CB . ASP A 319 ? 0.6511 0.5186 0.5302 -0.0326 -0.0338 -0.0103 319 ASP A CB +3942 C CG . ASP A 319 ? 0.7789 0.6409 0.6535 -0.0321 -0.0336 -0.0117 319 ASP A CG +3943 O OD1 . ASP A 319 ? 0.7313 0.5914 0.6025 -0.0302 -0.0322 -0.0120 319 ASP A OD1 +3944 O OD2 . ASP A 319 ? 0.7107 0.5702 0.5853 -0.0335 -0.0345 -0.0126 319 ASP A OD2 +3945 N N . ILE A 320 ? 0.6818 0.5591 0.5719 -0.0336 -0.0325 -0.0067 320 ILE A N +3946 C CA . ILE A 320 ? 0.6647 0.5467 0.5585 -0.0338 -0.0325 -0.0053 320 ILE A CA +3947 C C . ILE A 320 ? 0.7415 0.6248 0.6366 -0.0323 -0.0302 -0.0040 320 ILE A C +3948 O O . ILE A 320 ? 0.7308 0.6168 0.6267 -0.0315 -0.0297 -0.0032 320 ILE A O +3949 C CB . ILE A 320 ? 0.6966 0.5808 0.5943 -0.0359 -0.0335 -0.0050 320 ILE A CB +3950 C CG1 . ILE A 320 ? 0.7025 0.5858 0.5994 -0.0375 -0.0358 -0.0065 320 ILE A CG1 +3951 C CG2 . ILE A 320 ? 0.6376 0.5268 0.5391 -0.0358 -0.0334 -0.0037 320 ILE A CG2 +3952 C CD1 . ILE A 320 ? 0.7138 0.5990 0.6096 -0.0372 -0.0375 -0.0071 320 ILE A CD1 +3953 N N A ILE A 321 ? 0.6554 0.5366 0.5506 -0.0318 -0.0289 -0.0039 321 ILE A N +3954 N N B ILE A 321 ? 0.6552 0.5364 0.5504 -0.0318 -0.0289 -0.0038 321 ILE A N +3955 C CA A ILE A 321 ? 0.6523 0.5347 0.5486 -0.0303 -0.0269 -0.0028 321 ILE A CA +3956 C CA B ILE A 321 ? 0.6523 0.5348 0.5487 -0.0303 -0.0268 -0.0028 321 ILE A CA +3957 C C A ILE A 321 ? 0.7050 0.5869 0.5984 -0.0287 -0.0259 -0.0031 321 ILE A C +3958 C C B ILE A 321 ? 0.7057 0.5878 0.5993 -0.0286 -0.0258 -0.0031 321 ILE A C +3959 O O A ILE A 321 ? 0.6643 0.5488 0.5591 -0.0278 -0.0246 -0.0022 321 ILE A O +3960 O O B ILE A 321 ? 0.6644 0.5490 0.5593 -0.0278 -0.0246 -0.0021 321 ILE A O +3961 C CB A ILE A 321 ? 0.7066 0.5863 0.6028 -0.0297 -0.0258 -0.0029 321 ILE A CB +3962 C CB B ILE A 321 ? 0.7086 0.5885 0.6051 -0.0298 -0.0258 -0.0028 321 ILE A CB +3963 C CG1 A ILE A 321 ? 0.6541 0.5344 0.5534 -0.0312 -0.0263 -0.0023 321 ILE A CG1 +3964 C CG1 B ILE A 321 ? 0.6542 0.5344 0.5534 -0.0313 -0.0265 -0.0023 321 ILE A CG1 +3965 C CG2 A ILE A 321 ? 0.6743 0.5550 0.5711 -0.0278 -0.0238 -0.0023 321 ILE A CG2 +3966 C CG2 B ILE A 321 ? 0.6667 0.5478 0.5640 -0.0279 -0.0238 -0.0020 321 ILE A CG2 +3967 C CD1 A ILE A 321 ? 0.6381 0.5144 0.5360 -0.0308 -0.0257 -0.0026 321 ILE A CD1 +3968 C CD1 B ILE A 321 ? 0.6397 0.5162 0.5379 -0.0308 -0.0257 -0.0025 321 ILE A CD1 +3969 N N A ASN A 322 ? 0.6836 0.5622 0.5730 -0.0283 -0.0263 -0.0044 322 ASN A N +3970 N N B ASN A 322 ? 0.6844 0.5630 0.5739 -0.0283 -0.0262 -0.0044 322 ASN A N +3971 C CA A ASN A 322 ? 0.6404 0.5182 0.5265 -0.0268 -0.0252 -0.0047 322 ASN A CA +3972 C CA B ASN A 322 ? 0.6388 0.5166 0.5250 -0.0268 -0.0251 -0.0047 322 ASN A CA +3973 C C A ASN A 322 ? 0.6932 0.5737 0.5795 -0.0269 -0.0257 -0.0041 322 ASN A C +3974 C C B ASN A 322 ? 0.6951 0.5756 0.5814 -0.0269 -0.0256 -0.0040 322 ASN A C +3975 O O A ASN A 322 ? 0.6549 0.5363 0.5405 -0.0258 -0.0242 -0.0035 322 ASN A O +3976 O O B ASN A 322 ? 0.6554 0.5368 0.5411 -0.0258 -0.0241 -0.0035 322 ASN A O +3977 C CB A ASN A 322 ? 0.6411 0.5144 0.5224 -0.0266 -0.0258 -0.0063 322 ASN A CB +3978 C CB B ASN A 322 ? 0.6397 0.5130 0.5211 -0.0265 -0.0257 -0.0063 322 ASN A CB +3979 C CG A ASN A 322 ? 0.7352 0.6068 0.6129 -0.0248 -0.0240 -0.0067 322 ASN A CG +3980 C CG B ASN A 322 ? 0.7381 0.6097 0.6159 -0.0247 -0.0239 -0.0066 322 ASN A CG +3981 O OD1 A ASN A 322 ? 0.7452 0.6180 0.6243 -0.0236 -0.0219 -0.0060 322 ASN A OD1 +3982 O OD1 B ASN A 322 ? 0.7474 0.6201 0.6265 -0.0235 -0.0218 -0.0060 322 ASN A OD1 +3983 N ND2 A ASN A 322 ? 0.6428 0.5117 0.5160 -0.0245 -0.0248 -0.0077 322 ASN A ND2 +3984 N ND2 B ASN A 322 ? 0.6423 0.5115 0.5157 -0.0245 -0.0247 -0.0076 322 ASN A ND2 +3985 N N A ARG A 323 ? 0.6194 0.5013 0.5068 -0.0283 -0.0279 -0.0042 323 ARG A N +3986 N N B ARG A 323 ? 0.6175 0.4994 0.5049 -0.0282 -0.0278 -0.0042 323 ARG A N +3987 C CA A ARG A 323 ? 0.5997 0.4842 0.4872 -0.0282 -0.0285 -0.0036 323 ARG A CA +3988 C CA B ARG A 323 ? 0.5993 0.4837 0.4868 -0.0281 -0.0284 -0.0035 323 ARG A CA +3989 C C A ARG A 323 ? 0.6882 0.5761 0.5792 -0.0278 -0.0271 -0.0020 323 ARG A C +3990 C C B ARG A 323 ? 0.6907 0.5786 0.5817 -0.0278 -0.0270 -0.0020 323 ARG A C +3991 O O A ARG A 323 ? 0.6531 0.5418 0.5430 -0.0269 -0.0261 -0.0014 323 ARG A O +3992 O O B ARG A 323 ? 0.6537 0.5424 0.5436 -0.0269 -0.0261 -0.0014 323 ARG A O +3993 C CB A ARG A 323 ? 0.6365 0.5224 0.5253 -0.0296 -0.0311 -0.0040 323 ARG A CB +3994 C CB B ARG A 323 ? 0.6374 0.5233 0.5262 -0.0296 -0.0310 -0.0039 323 ARG A CB +3995 C CG A ARG A 323 ? 0.5830 0.4659 0.4683 -0.0301 -0.0330 -0.0056 323 ARG A CG +3996 C CG B ARG A 323 ? 0.5827 0.4655 0.4679 -0.0300 -0.0329 -0.0056 323 ARG A CG +3997 C CD A ARG A 323 ? 0.6090 0.4894 0.4891 -0.0287 -0.0328 -0.0062 323 ARG A CD +3998 C CD B ARG A 323 ? 0.6090 0.4894 0.4891 -0.0286 -0.0326 -0.0061 323 ARG A CD +3999 N NE A ARG A 323 ? 0.6440 0.5267 0.5239 -0.0280 -0.0330 -0.0054 323 ARG A NE +4000 N NE B ARG A 323 ? 0.6433 0.5259 0.5232 -0.0279 -0.0329 -0.0053 323 ARG A NE +4001 C CZ A ARG A 323 ? 0.7304 0.6112 0.6058 -0.0268 -0.0329 -0.0056 323 ARG A CZ +4002 C CZ B ARG A 323 ? 0.7319 0.6126 0.6071 -0.0267 -0.0328 -0.0056 323 ARG A CZ +4003 N NH1 A ARG A 323 ? 0.6833 0.5600 0.5540 -0.0260 -0.0323 -0.0066 323 ARG A NH1 +4004 N NH1 B ARG A 323 ? 0.6829 0.5595 0.5534 -0.0260 -0.0325 -0.0066 323 ARG A NH1 +4005 N NH2 A ARG A 323 ? 0.7041 0.5868 0.5793 -0.0262 -0.0333 -0.0048 323 ARG A NH2 +4006 N NH2 B ARG A 323 ? 0.7050 0.5876 0.5801 -0.0262 -0.0332 -0.0047 323 ARG A NH2 +4007 N N A ALA A 324 ? 0.6534 0.5430 0.5483 -0.0285 -0.0268 -0.0014 324 ALA A N +4008 N N B ALA A 324 ? 0.6527 0.5423 0.5477 -0.0285 -0.0268 -0.0013 324 ALA A N +4009 C CA A ALA A 324 ? 0.6759 0.5686 0.5741 -0.0282 -0.0255 0.0000 324 ALA A CA +4010 C CA B ALA A 324 ? 0.6768 0.5694 0.5750 -0.0282 -0.0254 0.0000 324 ALA A CA +4011 C C A ALA A 324 ? 0.6620 0.5540 0.5591 -0.0268 -0.0232 0.0002 324 ALA A C +4012 C C B ALA A 324 ? 0.6628 0.5547 0.5598 -0.0267 -0.0232 0.0002 324 ALA A C +4013 O O A ALA A 324 ? 0.6669 0.5609 0.5648 -0.0262 -0.0221 0.0010 324 ALA A O +4014 O O B ALA A 324 ? 0.6674 0.5613 0.5650 -0.0262 -0.0221 0.0010 324 ALA A O +4015 C CB A ALA A 324 ? 0.6396 0.5336 0.5416 -0.0291 -0.0256 0.0005 324 ALA A CB +4016 C CB B ALA A 324 ? 0.6398 0.5338 0.5418 -0.0291 -0.0256 0.0006 324 ALA A CB +4017 N N A ASN A 325 ? 0.6174 0.5066 0.5127 -0.0261 -0.0224 -0.0006 325 ASN A N +4018 N N B ASN A 325 ? 0.6161 0.5053 0.5114 -0.0261 -0.0223 -0.0006 325 ASN A N +4019 C CA A ASN A 325 ? 0.6133 0.5021 0.5078 -0.0247 -0.0201 -0.0006 325 ASN A CA +4020 C CA B ASN A 325 ? 0.6126 0.5014 0.5070 -0.0247 -0.0201 -0.0006 325 ASN A CA +4021 C C A ASN A 325 ? 0.6719 0.5601 0.5631 -0.0241 -0.0194 -0.0007 325 ASN A C +4022 C C B ASN A 325 ? 0.6732 0.5614 0.5644 -0.0240 -0.0193 -0.0007 325 ASN A C +4023 O O A ASN A 325 ? 0.6530 0.5426 0.5449 -0.0233 -0.0175 -0.0002 325 ASN A O +4024 O O B ASN A 325 ? 0.6548 0.5442 0.5464 -0.0233 -0.0175 -0.0002 325 ASN A O +4025 C CB A ASN A 325 ? 0.6094 0.4949 0.5021 -0.0240 -0.0195 -0.0016 325 ASN A CB +4026 C CB B ASN A 325 ? 0.6088 0.4944 0.5015 -0.0239 -0.0195 -0.0016 325 ASN A CB +4027 C CG A ASN A 325 ? 0.6820 0.5677 0.5776 -0.0242 -0.0197 -0.0013 325 ASN A CG +4028 C CG B ASN A 325 ? 0.6833 0.5691 0.5790 -0.0243 -0.0198 -0.0013 325 ASN A CG +4029 O OD1 A ASN A 325 ? 0.7083 0.5969 0.6075 -0.0248 -0.0199 -0.0003 325 ASN A OD1 +4030 O OD1 B ASN A 325 ? 0.7114 0.6001 0.6107 -0.0248 -0.0199 -0.0003 325 ASN A OD1 +4031 N ND2 A ASN A 325 ? 0.6661 0.5486 0.5599 -0.0237 -0.0196 -0.0022 325 ASN A ND2 +4032 N ND2 B ASN A 325 ? 0.6681 0.5506 0.5620 -0.0239 -0.0198 -0.0022 325 ASN A ND2 +4033 N N A LEU A 326 ? 0.6222 0.5083 0.5100 -0.0243 -0.0208 -0.0014 326 LEU A N +4034 N N B LEU A 326 ? 0.6215 0.5076 0.5092 -0.0243 -0.0208 -0.0014 326 LEU A N +4035 C CA A LEU A 326 ? 0.6246 0.5096 0.5087 -0.0236 -0.0202 -0.0015 326 LEU A CA +4036 C CA B LEU A 326 ? 0.6244 0.5094 0.5084 -0.0237 -0.0202 -0.0015 326 LEU A CA +4037 C C A LEU A 326 ? 0.6447 0.5326 0.5304 -0.0238 -0.0200 -0.0003 326 LEU A C +4038 C C B LEU A 326 ? 0.6451 0.5331 0.5309 -0.0239 -0.0200 -0.0003 326 LEU A C +4039 O O A LEU A 326 ? 0.6309 0.5189 0.5153 -0.0232 -0.0183 0.0001 326 LEU A O +4040 O O B LEU A 326 ? 0.6306 0.5186 0.5150 -0.0232 -0.0183 0.0002 326 LEU A O +4041 C CB A LEU A 326 ? 0.6639 0.5461 0.5439 -0.0239 -0.0222 -0.0026 326 LEU A CB +4042 C CB B LEU A 326 ? 0.6643 0.5465 0.5442 -0.0239 -0.0222 -0.0026 326 LEU A CB +4043 C CG A LEU A 326 ? 0.6930 0.5712 0.5692 -0.0234 -0.0221 -0.0040 326 LEU A CG +4044 C CG B LEU A 326 ? 0.6949 0.5732 0.5712 -0.0234 -0.0222 -0.0040 326 LEU A CG +4045 C CD1 A LEU A 326 ? 0.6455 0.5217 0.5188 -0.0240 -0.0247 -0.0051 326 LEU A CD1 +4046 C CD1 B LEU A 326 ? 0.6453 0.5216 0.5188 -0.0241 -0.0248 -0.0050 326 LEU A CD1 +4047 C CD2 A LEU A 326 ? 0.6247 0.5009 0.4972 -0.0220 -0.0198 -0.0042 326 LEU A CD2 +4048 C CD2 B LEU A 326 ? 0.6240 0.5002 0.4966 -0.0220 -0.0199 -0.0043 326 LEU A CD2 +4049 N N A GLY A 327 ? 0.6777 0.5680 0.5665 -0.0248 -0.0217 0.0003 327 GLY A N +4050 N N B GLY A 327 ? 0.6802 0.5707 0.5691 -0.0248 -0.0217 0.0003 327 GLY A N +4051 C CA A GLY A 327 ? 0.6524 0.5454 0.5429 -0.0249 -0.0215 0.0014 327 GLY A CA +4052 C CA B GLY A 327 ? 0.6526 0.5458 0.5432 -0.0249 -0.0215 0.0015 327 GLY A CA +4053 C C A GLY A 327 ? 0.6621 0.5572 0.5554 -0.0246 -0.0193 0.0023 327 GLY A C +4054 C C B GLY A 327 ? 0.6630 0.5581 0.5562 -0.0246 -0.0192 0.0023 327 GLY A C +4055 O O A GLY A 327 ? 0.6725 0.5684 0.5653 -0.0243 -0.0183 0.0030 327 GLY A O +4056 O O B GLY A 327 ? 0.6749 0.5706 0.5674 -0.0243 -0.0181 0.0030 327 GLY A O +4057 N N A MET A 328 ? 0.6289 0.5246 0.5248 -0.0246 -0.0186 0.0022 328 MET A N +4058 N N B MET A 328 ? 0.6288 0.5246 0.5248 -0.0246 -0.0186 0.0022 328 MET A N +4059 C CA A MET A 328 ? 0.6381 0.5356 0.5364 -0.0241 -0.0166 0.0028 328 MET A CA +4060 C CA B MET A 328 ? 0.6382 0.5357 0.5366 -0.0241 -0.0165 0.0028 328 MET A CA +4061 C C A MET A 328 ? 0.6750 0.5709 0.5704 -0.0232 -0.0145 0.0024 328 MET A C +4062 C C B MET A 328 ? 0.6774 0.5734 0.5729 -0.0232 -0.0144 0.0024 328 MET A C +4063 O O A MET A 328 ? 0.6308 0.5282 0.5270 -0.0231 -0.0129 0.0030 328 MET A O +4064 O O B MET A 328 ? 0.6309 0.5283 0.5271 -0.0231 -0.0128 0.0030 328 MET A O +4065 C CB A MET A 328 ? 0.6405 0.5387 0.5418 -0.0241 -0.0164 0.0027 328 MET A CB +4066 C CB B MET A 328 ? 0.6406 0.5388 0.5420 -0.0241 -0.0164 0.0027 328 MET A CB +4067 C CG A MET A 328 ? 0.6920 0.5915 0.5962 -0.0251 -0.0182 0.0032 328 MET A CG +4068 C CG B MET A 328 ? 0.6963 0.5956 0.6003 -0.0251 -0.0182 0.0031 328 MET A CG +4069 S SD A MET A 328 ? 0.6561 0.5547 0.5620 -0.0248 -0.0180 0.0028 328 MET A SD +4070 S SD B MET A 328 ? 0.6561 0.5546 0.5620 -0.0248 -0.0181 0.0028 328 MET A SD +4071 C CE A MET A 328 ? 0.6385 0.5359 0.5445 -0.0262 -0.0203 0.0025 328 MET A CE +4072 C CE B MET A 328 ? 0.6390 0.5365 0.5451 -0.0262 -0.0204 0.0025 328 MET A CE +4073 N N A GLU A 329 ? 0.5810 0.4738 0.4731 -0.0227 -0.0144 0.0013 329 GLU A N +4074 N N B GLU A 329 ? 0.5792 0.4720 0.4713 -0.0227 -0.0144 0.0013 329 GLU A N +4075 C CA A GLU A 329 ? 0.6210 0.5122 0.5102 -0.0218 -0.0122 0.0008 329 GLU A CA +4076 C CA B GLU A 329 ? 0.6206 0.5118 0.5098 -0.0218 -0.0122 0.0008 329 GLU A CA +4077 C C A GLU A 329 ? 0.6619 0.5526 0.5482 -0.0218 -0.0116 0.0012 329 GLU A C +4078 C C B GLU A 329 ? 0.6632 0.5539 0.5496 -0.0218 -0.0115 0.0012 329 GLU A C +4079 O O A GLU A 329 ? 0.6621 0.5535 0.5485 -0.0216 -0.0093 0.0016 329 GLU A O +4080 O O B GLU A 329 ? 0.6631 0.5546 0.5497 -0.0216 -0.0093 0.0016 329 GLU A O +4081 C CB A GLU A 329 ? 0.6145 0.5021 0.5000 -0.0212 -0.0126 -0.0005 329 GLU A CB +4082 C CB B GLU A 329 ? 0.6128 0.5004 0.4984 -0.0212 -0.0126 -0.0005 329 GLU A CB +4083 C CG A GLU A 329 ? 0.6885 0.5735 0.5695 -0.0203 -0.0107 -0.0011 329 GLU A CG +4084 C CG B GLU A 329 ? 0.6869 0.5723 0.5685 -0.0203 -0.0105 -0.0011 329 GLU A CG +4085 C CD A GLU A 329 ? 0.7142 0.5953 0.5912 -0.0197 -0.0112 -0.0025 329 GLU A CD +4086 C CD B GLU A 329 ? 0.7147 0.5961 0.5920 -0.0197 -0.0110 -0.0024 329 GLU A CD +4087 O OE1 A GLU A 329 ? 0.7673 0.6479 0.6457 -0.0196 -0.0119 -0.0030 329 GLU A OE1 +4088 O OE1 B GLU A 329 ? 0.7787 0.6593 0.6572 -0.0194 -0.0115 -0.0031 329 GLU A OE1 +4089 O OE2 A GLU A 329 ? 0.7831 0.6614 0.6552 -0.0193 -0.0110 -0.0030 329 GLU A OE2 +4090 O OE2 B GLU A 329 ? 0.7816 0.6603 0.6542 -0.0194 -0.0111 -0.0029 329 GLU A OE2 +4091 N N A VAL A 330 ? 0.6102 0.4994 0.4939 -0.0222 -0.0135 0.0013 330 VAL A N +4092 N N B VAL A 330 ? 0.6095 0.4988 0.4932 -0.0222 -0.0134 0.0013 330 VAL A N +4093 C CA A VAL A 330 ? 0.6477 0.5356 0.5276 -0.0220 -0.0129 0.0016 330 VAL A CA +4094 C CA B VAL A 330 ? 0.6481 0.5360 0.5280 -0.0220 -0.0128 0.0017 330 VAL A CA +4095 C C A VAL A 330 ? 0.6380 0.5285 0.5204 -0.0224 -0.0121 0.0029 330 VAL A C +4096 C C B VAL A 330 ? 0.6384 0.5289 0.5209 -0.0224 -0.0120 0.0029 330 VAL A C +4097 O O A VAL A 330 ? 0.6874 0.5768 0.5672 -0.0223 -0.0107 0.0033 330 VAL A O +4098 O O B VAL A 330 ? 0.6896 0.5790 0.5694 -0.0223 -0.0106 0.0033 330 VAL A O +4099 C CB A VAL A 330 ? 0.6323 0.5179 0.5085 -0.0220 -0.0153 0.0013 330 VAL A CB +4100 C CB B VAL A 330 ? 0.6318 0.5175 0.5081 -0.0220 -0.0153 0.0013 330 VAL A CB +4101 C CG1 A VAL A 330 ? 0.6323 0.5147 0.5051 -0.0215 -0.0160 -0.0001 330 VAL A CG1 +4102 C CG1 B VAL A 330 ? 0.6319 0.5145 0.5050 -0.0216 -0.0161 -0.0001 330 VAL A CG1 +4103 C CG2 A VAL A 330 ? 0.5902 0.4783 0.4696 -0.0227 -0.0178 0.0018 330 VAL A CG2 +4104 C CG2 B VAL A 330 ? 0.5885 0.4768 0.4683 -0.0228 -0.0177 0.0018 330 VAL A CG2 +4105 N N A MET A 331 ? 0.6542 0.5478 0.5415 -0.0230 -0.0130 0.0035 331 MET A N +4106 N N B MET A 331 ? 0.6553 0.5490 0.5426 -0.0230 -0.0128 0.0035 331 MET A N +4107 C CA A MET A 331 ? 0.6106 0.5065 0.5000 -0.0235 -0.0125 0.0046 331 MET A CA +4108 C CA B MET A 331 ? 0.6102 0.5062 0.4997 -0.0235 -0.0123 0.0046 331 MET A CA +4109 C C A MET A 331 ? 0.6200 0.5181 0.5126 -0.0236 -0.0101 0.0049 331 MET A C +4110 C C B MET A 331 ? 0.6188 0.5171 0.5116 -0.0236 -0.0100 0.0049 331 MET A C +4111 O O A MET A 331 ? 0.6863 0.5855 0.5795 -0.0239 -0.0090 0.0056 331 MET A O +4112 O O B MET A 331 ? 0.6894 0.5887 0.5829 -0.0239 -0.0089 0.0056 331 MET A O +4113 C CB A MET A 331 ? 0.5867 0.4850 0.4794 -0.0241 -0.0147 0.0052 331 MET A CB +4114 C CB B MET A 331 ? 0.5863 0.4845 0.4789 -0.0240 -0.0145 0.0052 331 MET A CB +4115 C CG A MET A 331 ? 0.6369 0.5338 0.5269 -0.0240 -0.0169 0.0051 331 MET A CG +4116 C CG B MET A 331 ? 0.6376 0.5344 0.5274 -0.0240 -0.0168 0.0050 331 MET A CG +4117 S SD A MET A 331 ? 0.7403 0.6347 0.6251 -0.0235 -0.0164 0.0055 331 MET A SD +4118 S SD B MET A 331 ? 0.7421 0.6364 0.6268 -0.0234 -0.0162 0.0055 331 MET A SD +4119 C CE A MET A 331 ? 0.7039 0.6009 0.5916 -0.0239 -0.0156 0.0069 331 MET A CE +4120 C CE B MET A 331 ? 0.7099 0.6068 0.5977 -0.0239 -0.0153 0.0068 331 MET A CE +4121 N N A HIS A 332 ? 0.5974 0.4963 0.4922 -0.0233 -0.0094 0.0043 332 HIS A N +4122 N N B HIS A 332 ? 0.5971 0.4961 0.4920 -0.0232 -0.0093 0.0043 332 HIS A N +4123 C CA A HIS A 332 ? 0.5942 0.4958 0.4927 -0.0233 -0.0076 0.0045 332 HIS A CA +4124 C CA B HIS A 332 ? 0.5947 0.4965 0.4934 -0.0233 -0.0075 0.0045 332 HIS A CA +4125 C C A HIS A 332 ? 0.6218 0.5227 0.5183 -0.0232 -0.0050 0.0044 332 HIS A C +4126 C C B HIS A 332 ? 0.6229 0.5240 0.5197 -0.0232 -0.0049 0.0044 332 HIS A C +4127 O O A HIS A 332 ? 0.6245 0.5225 0.5168 -0.0227 -0.0042 0.0039 332 HIS A O +4128 O O B HIS A 332 ? 0.6281 0.5263 0.5207 -0.0227 -0.0041 0.0038 332 HIS A O +4129 C CB A HIS A 332 ? 0.5508 0.4532 0.4518 -0.0227 -0.0075 0.0038 332 HIS A CB +4130 C CB B HIS A 332 ? 0.5477 0.4501 0.4488 -0.0227 -0.0075 0.0038 332 HIS A CB +4131 C CG A HIS A 332 ? 0.6915 0.5921 0.5902 -0.0218 -0.0058 0.0028 332 HIS A CG +4132 C CG B HIS A 332 ? 0.6929 0.5936 0.5918 -0.0218 -0.0058 0.0028 332 HIS A CG +4133 N ND1 A HIS A 332 ? 0.6437 0.5407 0.5378 -0.0214 -0.0061 0.0021 332 HIS A ND1 +4134 N ND1 B HIS A 332 ? 0.6449 0.5420 0.5392 -0.0214 -0.0062 0.0021 332 HIS A ND1 +4135 C CD2 A HIS A 332 ? 0.6355 0.5376 0.5362 -0.0212 -0.0037 0.0024 332 HIS A CD2 +4136 C CD2 B HIS A 332 ? 0.6361 0.5381 0.5367 -0.0211 -0.0037 0.0023 332 HIS A CD2 +4137 C CE1 A HIS A 332 ? 0.6103 0.5064 0.5033 -0.0205 -0.0042 0.0013 332 HIS A CE1 +4138 C CE1 B HIS A 332 ? 0.6094 0.5056 0.5025 -0.0205 -0.0043 0.0013 332 HIS A CE1 +4139 N NE2 A HIS A 332 ? 0.6477 0.5470 0.5447 -0.0204 -0.0027 0.0014 332 HIS A NE2 +4140 N NE2 B HIS A 332 ? 0.6494 0.5486 0.5464 -0.0203 -0.0028 0.0014 332 HIS A NE2 +4141 N N A GLU A 333 ? 0.5693 0.4728 0.4687 -0.0237 -0.0037 0.0050 333 GLU A N +4142 N N B GLU A 333 ? 0.5678 0.4716 0.4675 -0.0237 -0.0036 0.0050 333 GLU A N +4143 C CA A GLU A 333 ? 0.6178 0.5211 0.5159 -0.0239 -0.0009 0.0049 333 GLU A CA +4144 C CA B GLU A 333 ? 0.6204 0.5241 0.5191 -0.0239 -0.0009 0.0049 333 GLU A CA +4145 C C A GLU A 333 ? 0.6720 0.5715 0.5643 -0.0239 -0.0006 0.0051 333 GLU A C +4146 C C B GLU A 333 ? 0.6743 0.5741 0.5671 -0.0239 -0.0005 0.0050 333 GLU A C +4147 O O A GLU A 333 ? 0.6054 0.5027 0.4944 -0.0235 0.0011 0.0044 333 GLU A O +4148 O O B GLU A 333 ? 0.5990 0.4967 0.4886 -0.0235 0.0013 0.0044 333 GLU A O +4149 C CB A GLU A 333 ? 0.5996 0.5039 0.4992 -0.0232 0.0009 0.0040 333 GLU A CB +4150 C CB B GLU A 333 ? 0.5998 0.5045 0.5000 -0.0232 0.0010 0.0040 333 GLU A CB +4151 C CG A GLU A 333 ? 0.5897 0.4979 0.4951 -0.0231 0.0007 0.0039 333 GLU A CG +4152 C CG B GLU A 333 ? 0.5860 0.4945 0.4918 -0.0231 0.0007 0.0039 333 GLU A CG +4153 C CD A GLU A 333 ? 0.6403 0.5493 0.5472 -0.0220 0.0018 0.0029 333 GLU A CD +4154 C CD B GLU A 333 ? 0.6413 0.5505 0.5484 -0.0220 0.0018 0.0029 333 GLU A CD +4155 O OE1 A GLU A 333 ? 0.6073 0.5140 0.5109 -0.0214 0.0030 0.0021 333 GLU A OE1 +4156 O OE1 B GLU A 333 ? 0.6061 0.5130 0.5100 -0.0213 0.0030 0.0021 333 GLU A OE1 +4157 O OE2 A GLU A 333 ? 0.6404 0.5524 0.5517 -0.0217 0.0014 0.0028 333 GLU A OE2 +4158 O OE2 B GLU A 333 ? 0.6437 0.5558 0.5552 -0.0216 0.0014 0.0028 333 GLU A OE2 +4159 N N A ARG A 334 ? 0.5711 0.4697 0.4620 -0.0243 -0.0022 0.0058 334 ARG A N +4160 N N B ARG A 334 ? 0.5659 0.4649 0.4573 -0.0243 -0.0021 0.0058 334 ARG A N +4161 C CA A ARG A 334 ? 0.6406 0.5354 0.5258 -0.0240 -0.0029 0.0059 334 ARG A CA +4162 C CA B ARG A 334 ? 0.6410 0.5361 0.5267 -0.0240 -0.0028 0.0059 334 ARG A CA +4163 C C A ARG A 334 ? 0.6985 0.5907 0.5795 -0.0241 -0.0003 0.0060 334 ARG A C +4164 C C B ARG A 334 ? 0.7016 0.5942 0.5831 -0.0241 -0.0002 0.0060 334 ARG A C +4165 O O A ARG A 334 ? 0.6643 0.5529 0.5399 -0.0236 -0.0006 0.0059 334 ARG A O +4166 O O B ARG A 334 ? 0.6683 0.5572 0.5444 -0.0236 -0.0005 0.0058 334 ARG A O +4167 C CB A ARG A 334 ? 0.5995 0.4945 0.4847 -0.0242 -0.0052 0.0068 334 ARG A CB +4168 C CB B ARG A 334 ? 0.5987 0.4939 0.4843 -0.0243 -0.0051 0.0068 334 ARG A CB +4169 C CG A ARG A 334 ? 0.6033 0.4996 0.4901 -0.0250 -0.0040 0.0077 334 ARG A CG +4170 C CG B ARG A 334 ? 0.6028 0.4991 0.4895 -0.0250 -0.0039 0.0077 334 ARG A CG +4171 C CD A ARG A 334 ? 0.6280 0.5259 0.5169 -0.0252 -0.0062 0.0085 334 ARG A CD +4172 C CD B ARG A 334 ? 0.6286 0.5267 0.5178 -0.0253 -0.0060 0.0085 334 ARG A CD +4173 N NE A ARG A 334 ? 0.6466 0.5455 0.5369 -0.0260 -0.0048 0.0093 334 ARG A NE +4174 N NE B ARG A 334 ? 0.6479 0.5468 0.5382 -0.0260 -0.0047 0.0092 334 ARG A NE +4175 C CZ A ARG A 334 ? 0.6635 0.5655 0.5582 -0.0267 -0.0035 0.0092 334 ARG A CZ +4176 C CZ B ARG A 334 ? 0.6645 0.5665 0.5593 -0.0267 -0.0034 0.0092 334 ARG A CZ +4177 N NH1 A ARG A 334 ? 0.6610 0.5653 0.5593 -0.0265 -0.0037 0.0086 334 ARG A NH1 +4178 N NH1 B ARG A 334 ? 0.6637 0.5683 0.5623 -0.0265 -0.0035 0.0086 334 ARG A NH1 +4179 N NH2 A ARG A 334 ? 0.6449 0.5472 0.5401 -0.0275 -0.0020 0.0098 334 ARG A NH2 +4180 N NH2 B ARG A 334 ? 0.6451 0.5474 0.5403 -0.0275 -0.0020 0.0098 334 ARG A NH2 +4181 N N A ASN A 335 ? 0.6305 0.5246 0.5139 -0.0248 0.0022 0.0062 335 ASN A N +4182 N N B ASN A 335 ? 0.6297 0.5240 0.5133 -0.0248 0.0023 0.0062 335 ASN A N +4183 C CA A ASN A 335 ? 0.6069 0.4986 0.4865 -0.0251 0.0049 0.0064 335 ASN A CA +4184 C CA B ASN A 335 ? 0.6075 0.4993 0.4872 -0.0251 0.0050 0.0063 335 ASN A CA +4185 C C A ASN A 335 ? 0.6756 0.5681 0.5559 -0.0250 0.0077 0.0054 335 ASN A C +4186 C C B ASN A 335 ? 0.6760 0.5687 0.5567 -0.0249 0.0077 0.0054 335 ASN A C +4187 O O A ASN A 335 ? 0.6482 0.5390 0.5258 -0.0254 0.0104 0.0055 335 ASN A O +4188 O O B ASN A 335 ? 0.6535 0.5449 0.5319 -0.0254 0.0105 0.0054 335 ASN A O +4189 C CB A ASN A 335 ? 0.5920 0.4846 0.4728 -0.0263 0.0060 0.0073 335 ASN A CB +4190 C CB B ASN A 335 ? 0.5873 0.4798 0.4678 -0.0262 0.0061 0.0072 335 ASN A CB +4191 C CG A ASN A 335 ? 0.6908 0.5821 0.5699 -0.0262 0.0036 0.0082 335 ASN A CG +4192 C CG B ASN A 335 ? 0.6929 0.5841 0.5719 -0.0262 0.0037 0.0081 335 ASN A CG +4193 O OD1 A ASN A 335 ? 0.6398 0.5277 0.5141 -0.0255 0.0022 0.0083 335 ASN A OD1 +4194 O OD1 B ASN A 335 ? 0.6396 0.5276 0.5140 -0.0254 0.0021 0.0082 335 ASN A OD1 +4195 N ND2 A ASN A 335 ? 0.6003 0.4943 0.4834 -0.0270 0.0029 0.0088 335 ASN A ND2 +4196 N ND2 B ASN A 335 ? 0.5966 0.4905 0.4796 -0.0270 0.0032 0.0088 335 ASN A ND2 +4197 N N A ALA A 336 ? 0.6432 0.5379 0.5269 -0.0243 0.0071 0.0046 336 ALA A N +4198 N N B ALA A 336 ? 0.6445 0.5394 0.5285 -0.0242 0.0071 0.0045 336 ALA A N +4199 C CA A ALA A 336 ? 0.6925 0.5891 0.5785 -0.0240 0.0096 0.0037 336 ALA A CA +4200 C CA B ALA A 336 ? 0.6921 0.5890 0.5786 -0.0240 0.0095 0.0037 336 ALA A CA +4201 C C A ALA A 336 ? 0.6838 0.5775 0.5657 -0.0229 0.0104 0.0027 336 ALA A C +4202 C C B ALA A 336 ? 0.6841 0.5781 0.5665 -0.0229 0.0105 0.0027 336 ALA A C +4203 O O A ALA A 336 ? 0.7080 0.6029 0.5911 -0.0226 0.0129 0.0020 336 ALA A O +4204 O O B ALA A 336 ? 0.7070 0.6024 0.5909 -0.0226 0.0128 0.0019 336 ALA A O +4205 C CB A ALA A 336 ? 0.6126 0.5136 0.5050 -0.0238 0.0086 0.0034 336 ALA A CB +4206 C CB B ALA A 336 ? 0.6098 0.5110 0.5026 -0.0237 0.0084 0.0033 336 ALA A CB +4207 N N A HIS A 337 ? 0.6082 0.4982 0.4855 -0.0223 0.0085 0.0027 337 HIS A N +4208 N N B HIS A 337 ? 0.6068 0.4970 0.4844 -0.0223 0.0087 0.0026 337 HIS A N +4209 C CA A HIS A 337 ? 0.7129 0.5999 0.5861 -0.0212 0.0090 0.0016 337 HIS A CA +4210 C CA B HIS A 337 ? 0.7140 0.6012 0.5874 -0.0212 0.0092 0.0016 337 HIS A CA +4211 C C A HIS A 337 ? 0.7187 0.6010 0.5848 -0.0211 0.0099 0.0018 337 HIS A C +4212 C C B HIS A 337 ? 0.7211 0.6037 0.5876 -0.0212 0.0101 0.0019 337 HIS A C +4213 O O A HIS A 337 ? 0.6547 0.5350 0.5179 -0.0214 0.0081 0.0026 337 HIS A O +4214 O O B HIS A 337 ? 0.6526 0.5332 0.5163 -0.0215 0.0084 0.0027 337 HIS A O +4215 C CB A HIS A 337 ? 0.6180 0.5042 0.4913 -0.0204 0.0060 0.0011 337 HIS A CB +4216 C CB B HIS A 337 ? 0.6163 0.5026 0.4898 -0.0204 0.0062 0.0011 337 HIS A CB +4217 C CG A HIS A 337 ? 0.6825 0.5727 0.5622 -0.0205 0.0047 0.0011 337 HIS A CG +4218 C CG B HIS A 337 ? 0.6845 0.5748 0.5643 -0.0205 0.0048 0.0011 337 HIS A CG +4219 N ND1 A HIS A 337 ? 0.6441 0.5361 0.5266 -0.0212 0.0025 0.0020 337 HIS A ND1 +4220 N ND1 B HIS A 337 ? 0.6440 0.5360 0.5265 -0.0212 0.0025 0.0019 337 HIS A ND1 +4221 C CD2 A HIS A 337 ? 0.6413 0.5339 0.5249 -0.0199 0.0054 0.0004 337 HIS A CD2 +4222 C CD2 B HIS A 337 ? 0.6403 0.5332 0.5242 -0.0199 0.0055 0.0004 337 HIS A CD2 +4223 C CE1 A HIS A 337 ? 0.6720 0.5672 0.5597 -0.0211 0.0019 0.0018 337 HIS A CE1 +4224 C CE1 B HIS A 337 ? 0.6735 0.5687 0.5612 -0.0211 0.0019 0.0018 337 HIS A CE1 +4225 N NE2 A HIS A 337 ? 0.6361 0.5317 0.5245 -0.0202 0.0036 0.0009 337 HIS A NE2 +4226 N NE2 B HIS A 337 ? 0.6350 0.5307 0.5235 -0.0203 0.0036 0.0009 337 HIS A NE2 +4227 N N A ASN A 338 ? 0.6416 0.5222 0.5048 -0.0207 0.0127 0.0012 338 ASN A N +4228 N N B ASN A 338 ? 0.6400 0.5208 0.5034 -0.0207 0.0129 0.0012 338 ASN A N +4229 C CA A ASN A 338 ? 0.6971 0.5728 0.5529 -0.0205 0.0138 0.0013 338 ASN A CA +4230 C CA B ASN A 338 ? 0.6978 0.5736 0.5538 -0.0205 0.0140 0.0013 338 ASN A CA +4231 C C A ASN A 338 ? 0.6974 0.5694 0.5484 -0.0191 0.0130 0.0002 338 ASN A C +4232 C C B ASN A 338 ? 0.6974 0.5696 0.5486 -0.0192 0.0132 0.0002 338 ASN A C +4233 O O A ASN A 338 ? 0.7111 0.5786 0.5554 -0.0187 0.0128 0.0003 338 ASN A O +4234 O O B ASN A 338 ? 0.7128 0.5804 0.5573 -0.0188 0.0130 0.0003 338 ASN A O +4235 C CB A ASN A 338 ? 0.6703 0.5461 0.5254 -0.0211 0.0180 0.0014 338 ASN A CB +4236 C CB B ASN A 338 ? 0.6709 0.5468 0.5260 -0.0212 0.0181 0.0014 338 ASN A CB +4237 C CG A ASN A 338 ? 0.7613 0.6400 0.6202 -0.0227 0.0189 0.0025 338 ASN A CG +4238 C CG B ASN A 338 ? 0.7631 0.6419 0.6222 -0.0227 0.0190 0.0025 338 ASN A CG +4239 O OD1 A ASN A 338 ? 0.6873 0.5666 0.5475 -0.0231 0.0164 0.0033 338 ASN A OD1 +4240 O OD1 B ASN A 338 ? 0.6877 0.5671 0.5481 -0.0232 0.0165 0.0033 338 ASN A OD1 +4241 N ND2 A ASN A 338 ? 0.6932 0.5737 0.5539 -0.0235 0.0224 0.0024 338 ASN A ND2 +4242 N ND2 B ASN A 338 ? 0.6927 0.5734 0.5537 -0.0235 0.0226 0.0024 338 ASN A ND2 +4243 N N A PHE A 339 ? 0.7050 0.5787 0.5590 -0.0184 0.0126 -0.0008 339 PHE A N +4244 N N B PHE A 339 ? 0.7051 0.5790 0.5593 -0.0184 0.0126 -0.0008 339 PHE A N +4245 C CA A PHE A 339 ? 0.7451 0.6153 0.5947 -0.0171 0.0121 -0.0020 339 PHE A CA +4246 C CA B PHE A 339 ? 0.7454 0.6158 0.5953 -0.0171 0.0120 -0.0020 339 PHE A CA +4247 C C A PHE A 339 ? 0.7432 0.6139 0.5949 -0.0168 0.0085 -0.0024 339 PHE A C +4248 C C B PHE A 339 ? 0.7436 0.6147 0.5958 -0.0168 0.0084 -0.0024 339 PHE A C +4249 O O A PHE A 339 ? 0.6917 0.5660 0.5490 -0.0174 0.0070 -0.0019 339 PHE A O +4250 O O B PHE A 339 ? 0.6920 0.5668 0.5500 -0.0174 0.0071 -0.0019 339 PHE A O +4251 C CB A PHE A 339 ? 0.7132 0.5843 0.5637 -0.0164 0.0155 -0.0030 339 PHE A CB +4252 C CB B PHE A 339 ? 0.7123 0.5837 0.5631 -0.0164 0.0154 -0.0030 339 PHE A CB +4253 C CG A PHE A 339 ? 0.7465 0.6177 0.5957 -0.0171 0.0193 -0.0025 339 PHE A CG +4254 C CG B PHE A 339 ? 0.7480 0.6195 0.5976 -0.0171 0.0192 -0.0025 339 PHE A CG +4255 C CD1 A PHE A 339 ? 0.6900 0.5566 0.5321 -0.0172 0.0201 -0.0020 339 PHE A CD1 +4256 C CD1 B PHE A 339 ? 0.6896 0.5566 0.5323 -0.0173 0.0202 -0.0020 339 PHE A CD1 +4257 C CD2 A PHE A 339 ? 0.7666 0.6425 0.6216 -0.0177 0.0218 -0.0025 339 PHE A CD2 +4258 C CD2 B PHE A 339 ? 0.7685 0.6447 0.6240 -0.0177 0.0217 -0.0025 339 PHE A CD2 +4259 C CE1 A PHE A 339 ? 0.7015 0.5679 0.5422 -0.0181 0.0237 -0.0015 339 PHE A CE1 +4260 C CE1 B PHE A 339 ? 0.7058 0.5727 0.5472 -0.0181 0.0238 -0.0015 339 PHE A CE1 +4261 C CE2 A PHE A 339 ? 0.6866 0.5627 0.5406 -0.0186 0.0254 -0.0020 339 PHE A CE2 +4262 C CE2 B PHE A 339 ? 0.6847 0.5613 0.5395 -0.0186 0.0253 -0.0021 339 PHE A CE2 +4263 C CZ A PHE A 339 ? 0.7107 0.5818 0.5574 -0.0188 0.0264 -0.0015 339 PHE A CZ +4264 C CZ B PHE A 339 ? 0.7120 0.5838 0.5596 -0.0188 0.0264 -0.0016 339 PHE A CZ +4265 N N A PRO A 340 ? 0.7308 0.5977 0.5778 -0.0159 0.0068 -0.0033 340 PRO A N +4266 N N B PRO A 340 ? 0.7295 0.5967 0.5770 -0.0160 0.0067 -0.0032 340 PRO A N +4267 C CA A PRO A 340 ? 0.7299 0.5966 0.5779 -0.0160 0.0030 -0.0035 340 PRO A CA +4268 C CA B PRO A 340 ? 0.7252 0.5923 0.5738 -0.0161 0.0028 -0.0034 340 PRO A CA +4269 C C A PRO A 340 ? 0.7379 0.6075 0.5915 -0.0159 0.0021 -0.0040 340 PRO A C +4270 C C B PRO A 340 ? 0.7378 0.6077 0.5919 -0.0160 0.0020 -0.0039 340 PRO A C +4271 O O A PRO A 340 ? 0.7073 0.5776 0.5629 -0.0164 -0.0009 -0.0039 340 PRO A O +4272 O O B PRO A 340 ? 0.7038 0.5745 0.5599 -0.0165 -0.0009 -0.0038 340 PRO A O +4273 C CB A PRO A 340 ? 0.7515 0.6130 0.5924 -0.0152 0.0018 -0.0046 340 PRO A CB +4274 C CB B PRO A 340 ? 0.7533 0.6153 0.5948 -0.0153 0.0016 -0.0044 340 PRO A CB +4275 C CG A PRO A 340 ? 0.6754 0.5350 0.5130 -0.0143 0.0053 -0.0052 340 PRO A CG +4276 C CG B PRO A 340 ? 0.6752 0.5351 0.5132 -0.0144 0.0051 -0.0051 340 PRO A CG +4277 C CD A PRO A 340 ? 0.7171 0.5793 0.5570 -0.0150 0.0082 -0.0041 340 PRO A CD +4278 C CD B PRO A 340 ? 0.7177 0.5802 0.5581 -0.0151 0.0081 -0.0041 340 PRO A CD +4279 N N A LEU A 341 ? 0.6832 0.5545 0.5394 -0.0153 0.0044 -0.0046 341 LEU A N +4280 N N B LEU A 341 ? 0.6817 0.5530 0.5380 -0.0153 0.0044 -0.0045 341 LEU A N +4281 C CA A LEU A 341 ? 0.7284 0.6017 0.5893 -0.0149 0.0035 -0.0051 341 LEU A CA +4282 C CA B LEU A 341 ? 0.7293 0.6028 0.5903 -0.0149 0.0037 -0.0051 341 LEU A CA +4283 C C A LEU A 341 ? 0.7474 0.6257 0.6147 -0.0153 0.0049 -0.0044 341 LEU A C +4284 C C B LEU A 341 ? 0.7512 0.6298 0.6187 -0.0153 0.0051 -0.0043 341 LEU A C +4285 O O A LEU A 341 ? 0.6931 0.5730 0.5612 -0.0152 0.0078 -0.0043 341 LEU A O +4286 O O B LEU A 341 ? 0.6916 0.5716 0.5597 -0.0153 0.0081 -0.0042 341 LEU A O +4287 C CB A LEU A 341 ? 0.7202 0.5911 0.5787 -0.0135 0.0048 -0.0065 341 LEU A CB +4288 C CB B LEU A 341 ? 0.7199 0.5910 0.5786 -0.0135 0.0050 -0.0065 341 LEU A CB +4289 C CG A LEU A 341 ? 0.8030 0.6685 0.6545 -0.0129 0.0037 -0.0075 341 LEU A CG +4290 C CG B LEU A 341 ? 0.8049 0.6706 0.6568 -0.0129 0.0038 -0.0075 341 LEU A CG +4291 C CD1 A LEU A 341 ? 0.7877 0.6512 0.6377 -0.0114 0.0050 -0.0090 341 LEU A CD1 +4292 C CD1 B LEU A 341 ? 0.7817 0.6456 0.6325 -0.0114 0.0049 -0.0089 341 LEU A CD1 +4293 C CD2 A LEU A 341 ? 0.7823 0.6465 0.6334 -0.0137 -0.0002 -0.0074 341 LEU A CD2 +4294 C CD2 B LEU A 341 ? 0.7825 0.6471 0.6340 -0.0137 -0.0001 -0.0074 341 LEU A CD2 +4295 N N A ASP A 342 ? 0.6403 0.5211 0.5123 -0.0157 0.0029 -0.0040 342 ASP A N +4296 N N B ASP A 342 ? 0.6389 0.5200 0.5111 -0.0157 0.0031 -0.0039 342 ASP A N +4297 C CA A ASP A 342 ? 0.6772 0.5627 0.5554 -0.0160 0.0038 -0.0034 342 ASP A CA +4298 C CA B ASP A 342 ? 0.6757 0.5616 0.5542 -0.0160 0.0040 -0.0033 342 ASP A CA +4299 C C A ASP A 342 ? 0.6448 0.5311 0.5252 -0.0146 0.0046 -0.0044 342 ASP A C +4300 C C B ASP A 342 ? 0.6397 0.5264 0.5206 -0.0147 0.0047 -0.0043 342 ASP A C +4301 O O A ASP A 342 ? 0.6413 0.5271 0.5231 -0.0143 0.0027 -0.0047 342 ASP A O +4302 O O B ASP A 342 ? 0.6251 0.5120 0.5082 -0.0145 0.0028 -0.0044 342 ASP A O +4303 C CB A ASP A 342 ? 0.6289 0.5164 0.5104 -0.0171 0.0011 -0.0024 342 ASP A CB +4304 C CB B ASP A 342 ? 0.6299 0.5177 0.5115 -0.0172 0.0014 -0.0023 342 ASP A CB +4305 C CG A ASP A 342 ? 0.6837 0.5759 0.5712 -0.0175 0.0019 -0.0016 342 ASP A CG +4306 C CG B ASP A 342 ? 0.6988 0.5913 0.5864 -0.0176 0.0022 -0.0016 342 ASP A CG +4307 O OD1 A ASP A 342 ? 0.6199 0.5143 0.5092 -0.0172 0.0044 -0.0018 342 ASP A OD1 +4308 O OD1 B ASP A 342 ? 0.5853 0.4799 0.4747 -0.0172 0.0048 -0.0018 342 ASP A OD1 +4309 O OD2 A ASP A 342 ? 0.6155 0.5094 0.5058 -0.0182 -0.0002 -0.0009 342 ASP A OD2 +4310 O OD2 B ASP A 342 ? 0.6101 0.5043 0.5007 -0.0182 0.0001 -0.0008 342 ASP A OD2 +4311 N N A LEU A 343 ? 0.7236 0.6108 0.6042 -0.0137 0.0076 -0.0050 343 LEU A N +4312 N N B LEU A 343 ? 0.7264 0.6133 0.6066 -0.0137 0.0076 -0.0050 343 LEU A N +4313 C CA A LEU A 343 ? 0.6609 0.5481 0.5426 -0.0121 0.0085 -0.0062 343 LEU A CA +4314 C CA B LEU A 343 ? 0.6602 0.5471 0.5416 -0.0121 0.0084 -0.0062 343 LEU A CA +4315 C C A LEU A 343 ? 0.7216 0.6136 0.6097 -0.0116 0.0091 -0.0060 343 LEU A C +4316 C C B LEU A 343 ? 0.7231 0.6149 0.6111 -0.0117 0.0089 -0.0060 343 LEU A C +4317 O O A LEU A 343 ? 0.7425 0.6348 0.6321 -0.0101 0.0094 -0.0069 343 LEU A O +4318 O O B LEU A 343 ? 0.7464 0.6385 0.6359 -0.0102 0.0091 -0.0068 343 LEU A O +4319 C CB A LEU A 343 ? 0.7130 0.5982 0.5908 -0.0110 0.0114 -0.0072 343 LEU A CB +4320 C CB B LEU A 343 ? 0.7120 0.5970 0.5896 -0.0110 0.0112 -0.0072 343 LEU A CB +4321 C CG A LEU A 343 ? 0.7130 0.5927 0.5836 -0.0110 0.0108 -0.0077 343 LEU A CG +4322 C CG B LEU A 343 ? 0.7154 0.5950 0.5859 -0.0109 0.0107 -0.0077 343 LEU A CG +4323 C CD1 A LEU A 343 ? 0.6791 0.5571 0.5461 -0.0099 0.0141 -0.0086 343 LEU A CD1 +4324 C CD1 B LEU A 343 ? 0.6796 0.5576 0.5467 -0.0098 0.0140 -0.0087 343 LEU A CD1 +4325 C CD2 A LEU A 343 ? 0.6493 0.5258 0.5181 -0.0104 0.0080 -0.0083 343 LEU A CD2 +4326 C CD2 B LEU A 343 ? 0.6464 0.5226 0.5150 -0.0104 0.0079 -0.0084 343 LEU A CD2 +4327 N N A ALA A 344 ? 0.7302 0.6259 0.6222 -0.0128 0.0090 -0.0050 344 ALA A N +4328 N N B ALA A 344 ? 0.7323 0.6277 0.6239 -0.0129 0.0091 -0.0050 344 ALA A N +4329 C CA A ALA A 344 ? 0.6953 0.5954 0.5934 -0.0126 0.0088 -0.0047 344 ALA A CA +4330 C CA B ALA A 344 ? 0.6964 0.5964 0.5943 -0.0126 0.0089 -0.0047 344 ALA A CA +4331 C C A ALA A 344 ? 0.6662 0.5684 0.5665 -0.0143 0.0076 -0.0034 344 ALA A C +4332 C C B ALA A 344 ? 0.6653 0.5675 0.5656 -0.0143 0.0076 -0.0034 344 ALA A C +4333 O O A ALA A 344 ? 0.7143 0.6194 0.6191 -0.0145 0.0064 -0.0029 344 ALA A O +4334 O O B ALA A 344 ? 0.7151 0.6202 0.6198 -0.0143 0.0064 -0.0030 344 ALA A O +4335 C CB A ALA A 344 ? 0.6898 0.5934 0.5908 -0.0118 0.0119 -0.0054 344 ALA A CB +4336 C CB B ALA A 344 ? 0.6903 0.5937 0.5910 -0.0118 0.0120 -0.0054 344 ALA A CB +4337 O OXT A ALA A 344 ? 0.6594 0.5600 0.5567 -0.0155 0.0077 -0.0028 344 ALA A OXT +4338 O OXT B ALA A 344 ? 0.6624 0.5631 0.5599 -0.0156 0.0075 -0.0027 344 ALA A OXT +4339 N N . GLY B 1 ? 0.9364 0.7923 0.7918 0.0003 -0.0262 0.0369 2 GLY B N +4340 C CA . GLY B 1 ? 0.9079 0.7658 0.7648 -0.0025 -0.0237 0.0372 2 GLY B CA +4341 C C . GLY B 1 ? 0.8683 0.7278 0.7293 -0.0054 -0.0216 0.0373 2 GLY B C +4342 O O . GLY B 1 ? 0.7877 0.6462 0.6498 -0.0052 -0.0220 0.0370 2 GLY B O +4343 N N . LEU B 2 ? 0.8116 0.6731 0.6744 -0.0079 -0.0193 0.0375 3 LEU B N +4344 C CA . LEU B 2 ? 0.7114 0.5753 0.5788 -0.0106 -0.0176 0.0373 3 LEU B CA +4345 C C . LEU B 2 ? 0.8411 0.7106 0.7146 -0.0104 -0.0193 0.0357 3 LEU B C +4346 O O . LEU B 2 ? 0.7043 0.5779 0.5801 -0.0096 -0.0207 0.0347 3 LEU B O +4347 C CB . LEU B 2 ? 0.7224 0.5883 0.5911 -0.0132 -0.0151 0.0377 3 LEU B CB +4348 C CG . LEU B 2 ? 0.8340 0.6952 0.6983 -0.0146 -0.0124 0.0392 3 LEU B CG +4349 C CD1 . LEU B 2 ? 0.8499 0.7148 0.7167 -0.0166 -0.0104 0.0391 3 LEU B CD1 +4350 C CD2 . LEU B 2 ? 0.8212 0.6790 0.6850 -0.0162 -0.0110 0.0398 3 LEU B CD2 +4351 N N . PRO B 3 ? 0.7888 0.6584 0.6647 -0.0111 -0.0193 0.0353 4 PRO B N +4352 C CA . PRO B 3 ? 0.7397 0.6150 0.6218 -0.0115 -0.0203 0.0339 4 PRO B CA +4353 C C . PRO B 3 ? 0.7858 0.6656 0.6719 -0.0139 -0.0188 0.0335 4 PRO B C +4354 O O . PRO B 3 ? 0.6508 0.5295 0.5357 -0.0156 -0.0168 0.0343 4 PRO B O +4355 C CB . PRO B 3 ? 0.7202 0.5934 0.6029 -0.0121 -0.0200 0.0338 4 PRO B CB +4356 C CG . PRO B 3 ? 0.7260 0.5921 0.6026 -0.0116 -0.0192 0.0353 4 PRO B CG +4357 C CD . PRO B 3 ? 0.7442 0.6085 0.6171 -0.0118 -0.0181 0.0363 4 PRO B CD +4358 N N . TRP B 4 ? 0.6752 0.5603 0.5663 -0.0139 -0.0199 0.0322 5 TRP B N +4359 C CA . TRP B 4 ? 0.6880 0.5775 0.5826 -0.0157 -0.0189 0.0317 5 TRP B CA +4360 C C . TRP B 4 ? 0.7037 0.5931 0.5999 -0.0183 -0.0167 0.0322 5 TRP B C +4361 O O . TRP B 4 ? 0.6634 0.5548 0.5607 -0.0198 -0.0153 0.0323 5 TRP B O +4362 C CB . TRP B 4 ? 0.6443 0.5388 0.5436 -0.0153 -0.0204 0.0303 5 TRP B CB +4363 C CG . TRP B 4 ? 0.6702 0.5659 0.5727 -0.0159 -0.0206 0.0296 5 TRP B CG +4364 C CD1 . TRP B 4 ? 0.7122 0.6071 0.6148 -0.0145 -0.0220 0.0291 5 TRP B CD1 +4365 C CD2 . TRP B 4 ? 0.6603 0.5582 0.5662 -0.0181 -0.0193 0.0294 5 TRP B CD2 +4366 N NE1 . TRP B 4 ? 0.6647 0.5609 0.5704 -0.0157 -0.0216 0.0286 5 TRP B NE1 +4367 C CE2 . TRP B 4 ? 0.7072 0.6052 0.6148 -0.0179 -0.0200 0.0287 5 TRP B CE2 +4368 C CE3 . TRP B 4 ? 0.6689 0.5688 0.5764 -0.0201 -0.0177 0.0296 5 TRP B CE3 +4369 C CZ2 . TRP B 4 ? 0.7231 0.6228 0.6338 -0.0197 -0.0192 0.0283 5 TRP B CZ2 +4370 C CZ3 . TRP B 4 ? 0.7067 0.6085 0.6175 -0.0218 -0.0170 0.0291 5 TRP B CZ3 +4371 C CH2 . TRP B 4 ? 0.7026 0.6043 0.6149 -0.0216 -0.0178 0.0285 5 TRP B CH2 +4372 N N A TYR B 5 ? 0.6406 0.5279 0.5369 -0.0188 -0.0165 0.0322 6 TYR B N +4373 N N B TYR B 5 ? 0.6408 0.5281 0.5371 -0.0188 -0.0165 0.0322 6 TYR B N +4374 C CA A TYR B 5 ? 0.6591 0.5467 0.5573 -0.0214 -0.0147 0.0324 6 TYR B CA +4375 C CA B TYR B 5 ? 0.6593 0.5469 0.5575 -0.0214 -0.0147 0.0324 6 TYR B CA +4376 C C A TYR B 5 ? 0.6985 0.5822 0.5931 -0.0227 -0.0126 0.0338 6 TYR B C +4377 C C B TYR B 5 ? 0.6997 0.5833 0.5943 -0.0227 -0.0126 0.0338 6 TYR B C +4378 O O A TYR B 5 ? 0.6571 0.5408 0.5532 -0.0250 -0.0110 0.0339 6 TYR B O +4379 O O B TYR B 5 ? 0.6572 0.5408 0.5532 -0.0250 -0.0110 0.0339 6 TYR B O +4380 C CB A TYR B 5 ? 0.6141 0.5010 0.5139 -0.0216 -0.0153 0.0319 6 TYR B CB +4381 C CB B TYR B 5 ? 0.6126 0.4996 0.5125 -0.0217 -0.0153 0.0318 6 TYR B CB +4382 C CG A TYR B 5 ? 0.6873 0.5695 0.5833 -0.0197 -0.0163 0.0322 6 TYR B CG +4383 C CG B TYR B 5 ? 0.6872 0.5695 0.5833 -0.0197 -0.0163 0.0322 6 TYR B CG +4384 C CD1 A TYR B 5 ? 0.6604 0.5370 0.5524 -0.0203 -0.0152 0.0333 6 TYR B CD1 +4385 C CD1 B TYR B 5 ? 0.6593 0.5361 0.5515 -0.0203 -0.0152 0.0333 6 TYR B CD1 +4386 C CD2 A TYR B 5 ? 0.6568 0.5401 0.5531 -0.0172 -0.0185 0.0315 6 TYR B CD2 +4387 C CD2 B TYR B 5 ? 0.6549 0.5383 0.5513 -0.0173 -0.0185 0.0315 6 TYR B CD2 +4388 C CE1 A TYR B 5 ? 0.6583 0.5302 0.5465 -0.0182 -0.0162 0.0337 6 TYR B CE1 +4389 C CE1 B TYR B 5 ? 0.6567 0.5288 0.5451 -0.0183 -0.0162 0.0336 6 TYR B CE1 +4390 C CE2 A TYR B 5 ? 0.7168 0.5960 0.6098 -0.0152 -0.0196 0.0318 6 TYR B CE2 +4391 C CE2 B TYR B 5 ? 0.7170 0.5963 0.6101 -0.0152 -0.0196 0.0317 6 TYR B CE2 +4392 C CZ A TYR B 5 ? 0.7727 0.6460 0.6614 -0.0156 -0.0185 0.0329 6 TYR B CZ +4393 C CZ B TYR B 5 ? 0.7740 0.6475 0.6629 -0.0156 -0.0185 0.0329 6 TYR B CZ +4394 O OH A TYR B 5 ? 0.7201 0.5891 0.6053 -0.0133 -0.0197 0.0331 6 TYR B OH +4395 O OH B TYR B 5 ? 0.7204 0.5894 0.6056 -0.0134 -0.0196 0.0332 6 TYR B OH +4396 N N . ARG B 6 ? 0.6522 0.5325 0.5422 -0.0214 -0.0126 0.0347 7 ARG B N +4397 C CA . ARG B 6 ? 0.7273 0.6035 0.6134 -0.0225 -0.0104 0.0360 7 ARG B CA +4398 C C . ARG B 6 ? 0.7431 0.6202 0.6276 -0.0224 -0.0095 0.0365 7 ARG B C +4399 O O . ARG B 6 ? 0.7271 0.6005 0.6078 -0.0231 -0.0076 0.0377 7 ARG B O +4400 C CB . ARG B 6 ? 0.6444 0.5139 0.5248 -0.0211 -0.0107 0.0370 7 ARG B CB +4401 C CG . ARG B 6 ? 0.7085 0.5760 0.5895 -0.0213 -0.0114 0.0367 7 ARG B CG +4402 C CD . ARG B 6 ? 0.7523 0.6126 0.6271 -0.0200 -0.0114 0.0378 7 ARG B CD +4403 N NE . ARG B 6 ? 0.7219 0.5802 0.5973 -0.0199 -0.0121 0.0374 7 ARG B NE +4404 C CZ . ARG B 6 ? 0.8440 0.6971 0.7152 -0.0179 -0.0131 0.0378 7 ARG B CZ +4405 N NH1 . ARG B 6 ? 0.7826 0.6313 0.6483 -0.0159 -0.0135 0.0388 7 ARG B NH1 +4406 N NH2 . ARG B 6 ? 0.6627 0.5148 0.5351 -0.0178 -0.0138 0.0372 7 ARG B NH2 +4407 N N . VAL B 7 ? 0.6367 0.5182 0.5237 -0.0215 -0.0106 0.0356 8 VAL B N +4408 C CA . VAL B 7 ? 0.6312 0.5127 0.5158 -0.0209 -0.0100 0.0361 8 VAL B CA +4409 C C . VAL B 7 ? 0.7047 0.5862 0.5892 -0.0231 -0.0071 0.0368 8 VAL B C +4410 O O . VAL B 7 ? 0.7378 0.6171 0.6185 -0.0228 -0.0059 0.0377 8 VAL B O +4411 C CB . VAL B 7 ? 0.6253 0.5118 0.5130 -0.0198 -0.0116 0.0349 8 VAL B CB +4412 C CG1 . VAL B 7 ? 0.7063 0.5924 0.5933 -0.0174 -0.0143 0.0342 8 VAL B CG1 +4413 C CG2 . VAL B 7 ? 0.6156 0.5073 0.5093 -0.0215 -0.0112 0.0339 8 VAL B CG2 +4414 N N . HIS B 8 ? 0.6019 0.4860 0.4906 -0.0254 -0.0059 0.0365 9 HIS B N +4415 C CA . HIS B 8 ? 0.7386 0.6238 0.6280 -0.0275 -0.0032 0.0370 9 HIS B CA +4416 C C . HIS B 8 ? 0.8342 0.7141 0.7197 -0.0288 -0.0011 0.0383 9 HIS B C +4417 O O . HIS B 8 ? 0.7334 0.6138 0.6192 -0.0307 0.0014 0.0388 9 HIS B O +4418 C CB . HIS B 8 ? 0.6817 0.5723 0.5774 -0.0293 -0.0029 0.0359 9 HIS B CB +4419 C CG . HIS B 8 ? 0.7205 0.6162 0.6196 -0.0283 -0.0042 0.0349 9 HIS B CG +4420 N ND1 . HIS B 8 ? 0.6068 0.5071 0.5111 -0.0292 -0.0048 0.0338 9 HIS B ND1 +4421 C CD2 . HIS B 8 ? 0.7331 0.6296 0.6308 -0.0265 -0.0051 0.0347 9 HIS B CD2 +4422 C CE1 . HIS B 8 ? 0.6886 0.5922 0.5945 -0.0280 -0.0058 0.0331 9 HIS B CE1 +4423 N NE2 . HIS B 8 ? 0.7058 0.6072 0.6078 -0.0264 -0.0061 0.0336 9 HIS B NE2 +4424 N N . THR B 9 ? 0.6612 0.5360 0.5431 -0.0280 -0.0020 0.0388 10 THR B N +4425 C CA . THR B 9 ? 0.7913 0.6604 0.6688 -0.0292 0.0001 0.0401 10 THR B CA +4426 C C . THR B 9 ? 0.8409 0.7068 0.7132 -0.0286 0.0016 0.0413 10 THR B C +4427 O O . THR B 9 ? 0.7382 0.5998 0.6070 -0.0301 0.0039 0.0425 10 THR B O +4428 C CB . THR B 9 ? 0.7697 0.6336 0.6440 -0.0281 -0.0013 0.0405 10 THR B CB +4429 O OG1 . THR B 9 ? 0.7948 0.6575 0.6663 -0.0249 -0.0037 0.0404 10 THR B OG1 +4430 C CG2 . THR B 9 ? 0.6677 0.5339 0.5465 -0.0291 -0.0023 0.0394 10 THR B CG2 +4431 N N . VAL B 10 ? 0.7497 0.6173 0.6211 -0.0266 0.0005 0.0410 11 VAL B N +4432 C CA . VAL B 10 ? 0.7086 0.5730 0.5747 -0.0259 0.0019 0.0421 11 VAL B CA +4433 C C . VAL B 10 ? 0.7741 0.6402 0.6414 -0.0284 0.0052 0.0425 11 VAL B C +4434 O O . VAL B 10 ? 0.7689 0.6319 0.6317 -0.0282 0.0070 0.0435 11 VAL B O +4435 C CB . VAL B 10 ? 0.8581 0.7244 0.7232 -0.0233 -0.0001 0.0415 11 VAL B CB +4436 C CG1 . VAL B 10 ? 0.7118 0.5763 0.5752 -0.0206 -0.0034 0.0411 11 VAL B CG1 +4437 C CG2 . VAL B 10 ? 0.6888 0.5623 0.5600 -0.0239 -0.0002 0.0403 11 VAL B CG2 +4438 N N . LEU B 11 ? 0.7652 0.6363 0.6387 -0.0306 0.0061 0.0417 12 LEU B N +4439 C CA . LEU B 11 ? 0.7663 0.6396 0.6416 -0.0330 0.0092 0.0420 12 LEU B CA +4440 C C . LEU B 11 ? 0.8375 0.7074 0.7119 -0.0357 0.0116 0.0428 12 LEU B C +4441 O O . LEU B 11 ? 0.7410 0.6123 0.6165 -0.0378 0.0145 0.0432 12 LEU B O +4442 C CB . LEU B 11 ? 0.7793 0.6601 0.6619 -0.0339 0.0090 0.0406 12 LEU B CB +4443 C CG . LEU B 11 ? 0.7917 0.6766 0.6764 -0.0317 0.0067 0.0396 12 LEU B CG +4444 C CD1 . LEU B 11 ? 0.7543 0.6455 0.6461 -0.0328 0.0059 0.0382 12 LEU B CD1 +4445 C CD2 . LEU B 11 ? 0.7067 0.5922 0.5892 -0.0308 0.0079 0.0399 12 LEU B CD2 +4446 N N . ILE B 12 ? 0.6622 0.5282 0.5351 -0.0358 0.0106 0.0431 13 ILE B N +4447 C CA . ILE B 12 ? 0.8312 0.6939 0.7034 -0.0386 0.0128 0.0437 13 ILE B CA +4448 C C . ILE B 12 ? 0.8890 0.7475 0.7563 -0.0398 0.0161 0.0452 13 ILE B C +4449 O O . ILE B 12 ? 0.8205 0.6798 0.6897 -0.0428 0.0189 0.0454 13 ILE B O +4450 C CB . ILE B 12 ? 0.7843 0.6419 0.6538 -0.0379 0.0110 0.0440 13 ILE B CB +4451 C CG1 . ILE B 12 ? 0.8397 0.7019 0.7150 -0.0376 0.0085 0.0424 13 ILE B CG1 +4452 C CG2 . ILE B 12 ? 0.8686 0.7212 0.7357 -0.0406 0.0135 0.0449 13 ILE B CG2 +4453 C CD1 . ILE B 12 ? 0.8229 0.6807 0.6960 -0.0367 0.0067 0.0425 13 ILE B CD1 +4454 N N . ASN B 13 ? 0.7034 0.5576 0.5644 -0.0374 0.0158 0.0462 14 ASN B N +4455 C CA . ASN B 13 ? 0.7502 0.5996 0.6056 -0.0383 0.0189 0.0476 14 ASN B CA +4456 C C . ASN B 13 ? 0.8487 0.7015 0.7043 -0.0377 0.0202 0.0476 14 ASN B C +4457 O O . ASN B 13 ? 0.7705 0.6189 0.6202 -0.0374 0.0222 0.0488 14 ASN B O +4458 C CB . ASN B 13 ? 1.0021 0.8431 0.8491 -0.0361 0.0181 0.0490 14 ASN B CB +4459 C CG . ASN B 13 ? 1.1069 0.9431 0.9524 -0.0368 0.0174 0.0493 14 ASN B CG +4460 O OD1 . ASN B 13 ? 1.0950 0.9314 0.9432 -0.0399 0.0193 0.0493 14 ASN B OD1 +4461 N ND2 . ASN B 13 ? 1.3527 1.1846 1.1939 -0.0339 0.0147 0.0495 14 ASN B ND2 +4462 N N . ASP B 14 ? 0.7534 0.6136 0.6151 -0.0374 0.0192 0.0462 15 ASP B N +4463 C CA . ASP B 14 ? 0.7229 0.5863 0.5847 -0.0364 0.0201 0.0460 15 ASP B CA +4464 C C . ASP B 14 ? 0.7621 0.6328 0.6312 -0.0386 0.0217 0.0450 15 ASP B C +4465 O O . ASP B 14 ? 0.7853 0.6618 0.6596 -0.0377 0.0197 0.0437 15 ASP B O +4466 C CB . ASP B 14 ? 0.7240 0.5883 0.5849 -0.0330 0.0166 0.0453 15 ASP B CB +4467 C CG . ASP B 14 ? 0.6935 0.5596 0.5529 -0.0316 0.0173 0.0452 15 ASP B CG +4468 O OD1 . ASP B 14 ? 0.8008 0.6696 0.6620 -0.0332 0.0201 0.0453 15 ASP B OD1 +4469 O OD2 . ASP B 14 ? 0.7736 0.6386 0.6302 -0.0288 0.0148 0.0450 15 ASP B OD2 +4470 N N . PRO B 15 ? 0.7657 0.6365 0.6355 -0.0414 0.0252 0.0456 16 PRO B N +4471 C CA . PRO B 15 ? 0.7343 0.6125 0.6118 -0.0435 0.0266 0.0445 16 PRO B CA +4472 C C . PRO B 15 ? 0.7041 0.5881 0.5846 -0.0420 0.0262 0.0435 16 PRO B C +4473 O O . PRO B 15 ? 0.7143 0.6047 0.6015 -0.0426 0.0255 0.0422 16 PRO B O +4474 C CB . PRO B 15 ? 0.7667 0.6429 0.6429 -0.0465 0.0307 0.0454 16 PRO B CB +4475 C CG . PRO B 15 ? 0.7694 0.6372 0.6389 -0.0467 0.0308 0.0468 16 PRO B CG +4476 C CD . PRO B 15 ? 0.7016 0.5657 0.5659 -0.0429 0.0280 0.0471 16 PRO B CD +4477 N N . GLY B 16 ? 0.7491 0.6307 0.6246 -0.0400 0.0267 0.0441 17 GLY B N +4478 C CA . GLY B 16 ? 0.7264 0.6129 0.6042 -0.0384 0.0264 0.0433 17 GLY B CA +4479 C C . GLY B 16 ? 0.6829 0.5726 0.5637 -0.0363 0.0225 0.0420 17 GLY B C +4480 O O . GLY B 16 ? 0.6992 0.5949 0.5852 -0.0361 0.0221 0.0409 17 GLY B O +4481 N N . ARG B 17 ? 0.7515 0.6372 0.6291 -0.0348 0.0198 0.0422 18 ARG B N +4482 C CA . ARG B 17 ? 0.7306 0.6191 0.6110 -0.0330 0.0163 0.0411 18 ARG B CA +4483 C C . ARG B 17 ? 0.7541 0.6463 0.6407 -0.0346 0.0153 0.0402 18 ARG B C +4484 O O . ARG B 17 ? 0.7505 0.6472 0.6414 -0.0338 0.0132 0.0390 18 ARG B O +4485 C CB . ARG B 17 ? 0.6701 0.5534 0.5450 -0.0306 0.0138 0.0415 18 ARG B CB +4486 C CG . ARG B 17 ? 0.6206 0.5013 0.4900 -0.0286 0.0142 0.0420 18 ARG B CG +4487 C CD . ARG B 17 ? 0.6693 0.5477 0.5354 -0.0258 0.0109 0.0418 18 ARG B CD +4488 N NE . ARG B 17 ? 0.7352 0.6127 0.5974 -0.0240 0.0110 0.0418 18 ARG B NE +4489 C CZ . ARG B 17 ? 0.7640 0.6388 0.6221 -0.0215 0.0086 0.0417 18 ARG B CZ +4490 N NH1 . ARG B 17 ? 0.7011 0.5738 0.5582 -0.0204 0.0058 0.0416 18 ARG B NH1 +4491 N NH2 . ARG B 17 ? 0.7268 0.6011 0.5816 -0.0200 0.0089 0.0416 18 ARG B NH2 +4492 N N . LEU B 18 ? 0.7338 0.6240 0.6207 -0.0369 0.0167 0.0408 19 LEU B N +4493 C CA . LEU B 18 ? 0.6737 0.5678 0.5667 -0.0388 0.0163 0.0398 19 LEU B CA +4494 C C . LEU B 18 ? 0.7451 0.6462 0.6440 -0.0397 0.0174 0.0389 19 LEU B C +4495 O O . LEU B 18 ? 0.6715 0.5772 0.5754 -0.0396 0.0157 0.0377 19 LEU B O +4496 C CB . LEU B 18 ? 0.6983 0.5889 0.5902 -0.0414 0.0180 0.0406 19 LEU B CB +4497 C CG . LEU B 18 ? 0.7824 0.6768 0.6805 -0.0433 0.0172 0.0395 19 LEU B CG +4498 C CD1 . LEU B 18 ? 0.7698 0.6636 0.6684 -0.0417 0.0138 0.0389 19 LEU B CD1 +4499 C CD2 . LEU B 18 ? 0.7301 0.6219 0.6279 -0.0464 0.0195 0.0401 19 LEU B CD2 +4500 N N . ILE B 19 ? 0.6427 0.5444 0.5407 -0.0405 0.0204 0.0393 20 ILE B N +4501 C CA . ILE B 19 ? 0.6798 0.5883 0.5834 -0.0411 0.0214 0.0384 20 ILE B CA +4502 C C . ILE B 19 ? 0.7800 0.6914 0.6846 -0.0383 0.0191 0.0375 20 ILE B C +4503 O O . ILE B 19 ? 0.6129 0.5299 0.5229 -0.0383 0.0182 0.0363 20 ILE B O +4504 C CB . ILE B 19 ? 0.8011 0.7096 0.7033 -0.0422 0.0252 0.0390 20 ILE B CB +4505 C CG1 . ILE B 19 ? 0.7872 0.6946 0.6905 -0.0455 0.0277 0.0396 20 ILE B CG1 +4506 C CG2 . ILE B 19 ? 0.7683 0.6836 0.6752 -0.0417 0.0260 0.0380 20 ILE B CG2 +4507 C CD1 . ILE B 19 ? 0.7516 0.6560 0.6508 -0.0466 0.0314 0.0408 20 ILE B CD1 +4508 N N . ALA B 20 ? 0.6322 0.5397 0.5315 -0.0360 0.0179 0.0380 21 ALA B N +4509 C CA . ALA B 20 ? 0.6491 0.5590 0.5491 -0.0336 0.0157 0.0371 21 ALA B CA +4510 C C . ALA B 20 ? 0.6511 0.5633 0.5549 -0.0333 0.0127 0.0361 21 ALA B C +4511 O O . ALA B 20 ? 0.6459 0.5626 0.5535 -0.0326 0.0117 0.0350 21 ALA B O +4512 C CB . ALA B 20 ? 0.6105 0.5154 0.5038 -0.0313 0.0149 0.0378 21 ALA B CB +4513 N N . ALA B 21 ? 0.6179 0.5269 0.5205 -0.0337 0.0114 0.0364 22 ALA B N +4514 C CA . ALA B 21 ? 0.6669 0.5778 0.5729 -0.0335 0.0087 0.0355 22 ALA B CA +4515 C C . ALA B 21 ? 0.7197 0.6358 0.6320 -0.0353 0.0092 0.0346 22 ALA B C +4516 O O . ALA B 21 ? 0.6937 0.6135 0.6096 -0.0347 0.0074 0.0336 22 ALA B O +4517 C CB . ALA B 21 ? 0.5611 0.4673 0.4644 -0.0336 0.0075 0.0360 22 ALA B CB +4518 N N . HIS B 22 ? 0.6549 0.5713 0.5683 -0.0376 0.0116 0.0350 23 HIS B N +4519 C CA . HIS B 22 ? 0.6869 0.6085 0.6064 -0.0394 0.0122 0.0341 23 HIS B CA +4520 C C . HIS B 22 ? 0.6840 0.6110 0.6067 -0.0385 0.0126 0.0333 23 HIS B C +4521 O O . HIS B 22 ? 0.6447 0.5764 0.5723 -0.0387 0.0116 0.0323 23 HIS B O +4522 C CB . HIS B 22 ? 0.6576 0.5779 0.5773 -0.0423 0.0147 0.0347 23 HIS B CB +4523 C CG . HIS B 22 ? 0.5991 0.5152 0.5172 -0.0434 0.0139 0.0351 23 HIS B CG +4524 N ND1 . HIS B 22 ? 0.5805 0.4942 0.4980 -0.0460 0.0159 0.0357 23 HIS B ND1 +4525 C CD2 . HIS B 22 ? 0.6934 0.6073 0.6105 -0.0423 0.0112 0.0349 23 HIS B CD2 +4526 C CE1 . HIS B 22 ? 0.6996 0.6097 0.6157 -0.0463 0.0145 0.0359 23 HIS B CE1 +4527 N NE2 . HIS B 22 ? 0.7407 0.6510 0.6567 -0.0441 0.0117 0.0353 23 HIS B NE2 +4528 N N . LEU B 23 ? 0.5611 0.4871 0.4807 -0.0373 0.0140 0.0338 24 LEU B N +4529 C CA . LEU B 23 ? 0.6443 0.5749 0.5663 -0.0360 0.0142 0.0331 24 LEU B CA +4530 C C . LEU B 23 ? 0.6196 0.5512 0.5423 -0.0339 0.0112 0.0322 24 LEU B C +4531 O O . LEU B 23 ? 0.6666 0.6027 0.5932 -0.0334 0.0106 0.0313 24 LEU B O +4532 C CB . LEU B 23 ? 0.5731 0.5018 0.4911 -0.0351 0.0164 0.0338 24 LEU B CB +4533 C CG . LEU B 23 ? 0.8318 0.7619 0.7509 -0.0371 0.0199 0.0342 24 LEU B CG +4534 C CD1 . LEU B 23 ? 0.6191 0.5453 0.5324 -0.0363 0.0222 0.0353 24 LEU B CD1 +4535 C CD2 . LEU B 23 ? 0.6775 0.6145 0.6027 -0.0374 0.0208 0.0331 24 LEU B CD2 +4536 N N . MET B 24 ? 0.6237 0.5511 0.5425 -0.0327 0.0094 0.0326 25 MET B N +4537 C CA . MET B 24 ? 0.6360 0.5643 0.5553 -0.0309 0.0067 0.0318 25 MET B CA +4538 C C . MET B 24 ? 0.6490 0.5801 0.5729 -0.0317 0.0051 0.0310 25 MET B C +4539 O O . MET B 24 ? 0.6589 0.5930 0.5853 -0.0307 0.0037 0.0301 25 MET B O +4540 C CB . MET B 24 ? 0.6306 0.5539 0.5449 -0.0295 0.0052 0.0323 25 MET B CB +4541 C CG . MET B 24 ? 0.6486 0.5727 0.5633 -0.0277 0.0025 0.0315 25 MET B CG +4542 S SD . MET B 24 ? 0.7347 0.6615 0.6497 -0.0261 0.0027 0.0308 25 MET B SD +4543 C CE . MET B 24 ? 0.6511 0.5741 0.5604 -0.0252 0.0045 0.0318 25 MET B CE +4544 N N . HIS B 25 ? 0.5930 0.5230 0.5178 -0.0335 0.0053 0.0312 26 HIS B N +4545 C CA . HIS B 25 ? 0.6850 0.6176 0.6139 -0.0343 0.0039 0.0304 26 HIS B CA +4546 C C . HIS B 25 ? 0.6571 0.5952 0.5908 -0.0349 0.0046 0.0296 26 HIS B C +4547 O O . HIS B 25 ? 0.6631 0.6041 0.5997 -0.0344 0.0029 0.0287 26 HIS B O +4548 C CB . HIS B 25 ? 0.5676 0.4977 0.4962 -0.0363 0.0041 0.0308 26 HIS B CB +4549 C CG . HIS B 25 ? 0.6248 0.5569 0.5571 -0.0370 0.0025 0.0299 26 HIS B CG +4550 N ND1 . HIS B 25 ? 0.5476 0.4835 0.4843 -0.0388 0.0032 0.0293 26 HIS B ND1 +4551 C CD2 . HIS B 25 ? 0.5787 0.5096 0.5108 -0.0363 0.0003 0.0296 26 HIS B CD2 +4552 C CE1 . HIS B 25 ? 0.6867 0.6235 0.6255 -0.0390 0.0013 0.0286 26 HIS B CE1 +4553 N NE2 . HIS B 25 ? 0.6027 0.5365 0.5387 -0.0375 -0.0003 0.0287 26 HIS B NE2 +4554 N N . THR B 26 ? 0.6539 0.5935 0.5885 -0.0360 0.0071 0.0299 27 THR B N +4555 C CA . THR B 26 ? 0.6028 0.5480 0.5422 -0.0365 0.0078 0.0290 27 THR B CA +4556 C C . THR B 26 ? 0.5953 0.5428 0.5351 -0.0341 0.0069 0.0284 27 THR B C +4557 O O . THR B 26 ? 0.6191 0.5706 0.5626 -0.0337 0.0058 0.0275 27 THR B O +4558 C CB . THR B 26 ? 0.6371 0.5834 0.5770 -0.0380 0.0109 0.0295 27 THR B CB +4559 O OG1 . THR B 26 ? 0.6414 0.5844 0.5801 -0.0403 0.0119 0.0302 27 THR B OG1 +4560 C CG2 . THR B 26 ? 0.6229 0.5754 0.5685 -0.0387 0.0116 0.0285 27 THR B CG2 +4561 N N . ALA B 27 ? 0.6110 0.5556 0.5465 -0.0324 0.0070 0.0289 28 ALA B N +4562 C CA . ALA B 27 ? 0.5722 0.5184 0.5076 -0.0302 0.0061 0.0284 28 ALA B CA +4563 C C . ALA B 27 ? 0.5508 0.4972 0.4872 -0.0294 0.0033 0.0277 28 ALA B C +4564 O O . ALA B 27 ? 0.6762 0.6257 0.6150 -0.0283 0.0025 0.0268 28 ALA B O +4565 C CB . ALA B 27 ? 0.5637 0.5061 0.4939 -0.0288 0.0066 0.0290 28 ALA B CB +4566 N N . LEU B 28 ? 0.6576 0.6007 0.5922 -0.0297 0.0019 0.0280 29 LEU B N +4567 C CA . LEU B 28 ? 0.6745 0.6177 0.6101 -0.0291 -0.0006 0.0273 29 LEU B CA +4568 C C . LEU B 28 ? 0.6536 0.6008 0.5938 -0.0300 -0.0011 0.0265 29 LEU B C +4569 O O . LEU B 28 ? 0.6382 0.5870 0.5799 -0.0290 -0.0026 0.0258 29 LEU B O +4570 C CB . LEU B 28 ? 0.6422 0.5815 0.5752 -0.0294 -0.0017 0.0278 29 LEU B CB +4571 C CG . LEU B 28 ? 0.6993 0.6348 0.6277 -0.0281 -0.0019 0.0283 29 LEU B CG +4572 C CD1 . LEU B 28 ? 0.7386 0.6703 0.6646 -0.0286 -0.0027 0.0289 29 LEU B CD1 +4573 C CD2 . LEU B 28 ? 0.7081 0.6439 0.6359 -0.0264 -0.0036 0.0277 29 LEU B CD2 +4574 N N . VAL B 29 ? 0.6366 0.5850 0.5790 -0.0319 0.0000 0.0266 30 VAL B N +4575 C CA . VAL B 29 ? 0.5573 0.5093 0.5041 -0.0329 -0.0007 0.0258 30 VAL B CA +4576 C C . VAL B 29 ? 0.6184 0.5749 0.5681 -0.0320 -0.0002 0.0251 30 VAL B C +4577 O O . VAL B 29 ? 0.6443 0.6035 0.5966 -0.0315 -0.0016 0.0243 30 VAL B O +4578 C CB . VAL B 29 ? 0.6422 0.5940 0.5904 -0.0354 0.0005 0.0260 30 VAL B CB +4579 C CG1 . VAL B 29 ? 0.5619 0.5181 0.5150 -0.0364 -0.0002 0.0250 30 VAL B CG1 +4580 C CG2 . VAL B 29 ? 0.5805 0.5276 0.5258 -0.0360 -0.0003 0.0266 30 VAL B CG2 +4581 N N . ALA B 30 ? 0.6236 0.5811 0.5729 -0.0318 0.0018 0.0254 31 ALA B N +4582 C CA . ALA B 30 ? 0.6388 0.6006 0.5908 -0.0306 0.0023 0.0247 31 ALA B CA +4583 C C . ALA B 30 ? 0.6185 0.5798 0.5689 -0.0282 0.0007 0.0244 31 ALA B C +4584 O O . ALA B 30 ? 0.6333 0.5978 0.5861 -0.0271 -0.0001 0.0236 31 ALA B O +4585 C CB . ALA B 30 ? 0.5667 0.5292 0.5181 -0.0308 0.0050 0.0252 31 ALA B CB +4586 N N . GLY B 31 ? 0.6597 0.6167 0.6059 -0.0273 0.0002 0.0249 32 GLY B N +4587 C CA . GLY B 31 ? 0.6523 0.6084 0.5967 -0.0253 -0.0013 0.0246 32 GLY B CA +4588 C C . GLY B 31 ? 0.6867 0.6432 0.6326 -0.0253 -0.0035 0.0240 32 GLY B C +4589 O O . GLY B 31 ? 0.6776 0.6352 0.6240 -0.0238 -0.0046 0.0234 32 GLY B O +4590 N N . TRP B 32 ? 0.5963 0.5515 0.5426 -0.0268 -0.0042 0.0241 33 TRP B N +4591 C CA . TRP B 32 ? 0.5925 0.5482 0.5402 -0.0269 -0.0061 0.0235 33 TRP B CA +4592 C C . TRP B 32 ? 0.6497 0.6098 0.6012 -0.0267 -0.0063 0.0227 33 TRP B C +4593 O O . TRP B 32 ? 0.6627 0.6234 0.6147 -0.0256 -0.0078 0.0222 33 TRP B O +4594 C CB . TRP B 32 ? 0.5065 0.4604 0.4543 -0.0286 -0.0065 0.0238 33 TRP B CB +4595 C CG . TRP B 32 ? 0.6169 0.5717 0.5664 -0.0286 -0.0083 0.0231 33 TRP B CG +4596 C CD1 . TRP B 32 ? 0.5958 0.5486 0.5436 -0.0278 -0.0099 0.0229 33 TRP B CD1 +4597 C CD2 . TRP B 32 ? 0.6446 0.6025 0.5975 -0.0295 -0.0088 0.0224 33 TRP B CD2 +4598 N NE1 . TRP B 32 ? 0.6161 0.5702 0.5658 -0.0281 -0.0111 0.0223 33 TRP B NE1 +4599 C CE2 . TRP B 32 ? 0.5785 0.5357 0.5313 -0.0291 -0.0106 0.0219 33 TRP B CE2 +4600 C CE3 . TRP B 32 ? 0.6672 0.6284 0.6233 -0.0307 -0.0078 0.0222 33 TRP B CE3 +4601 C CZ2 . TRP B 32 ? 0.6015 0.5611 0.5570 -0.0297 -0.0115 0.0212 33 TRP B CZ2 +4602 C CZ3 . TRP B 32 ? 0.6163 0.5801 0.5755 -0.0314 -0.0089 0.0213 33 TRP B CZ3 +4603 C CH2 . TRP B 32 ? 0.6377 0.6005 0.5963 -0.0308 -0.0108 0.0209 33 TRP B CH2 +4604 N N . ALA B 33 ? 0.5888 0.5519 0.5432 -0.0278 -0.0049 0.0227 34 ALA B N +4605 C CA . ALA B 33 ? 0.6916 0.6593 0.6500 -0.0277 -0.0053 0.0218 34 ALA B CA +4606 C C . ALA B 33 ? 0.6037 0.5730 0.5620 -0.0254 -0.0055 0.0214 34 ALA B C +4607 O O . ALA B 33 ? 0.7278 0.6991 0.6877 -0.0244 -0.0069 0.0206 34 ALA B O +4608 C CB . ALA B 33 ? 0.5805 0.5514 0.5422 -0.0295 -0.0037 0.0217 34 ALA B CB +4609 N N . GLY B 34 ? 0.6444 0.6126 0.6004 -0.0244 -0.0042 0.0218 35 GLY B N +4610 C CA . GLY B 34 ? 0.6275 0.5966 0.5829 -0.0220 -0.0043 0.0214 35 GLY B CA +4611 C C . GLY B 34 ? 0.6398 0.6062 0.5927 -0.0207 -0.0062 0.0213 35 GLY B C +4612 O O . GLY B 34 ? 0.6192 0.5870 0.5728 -0.0191 -0.0073 0.0207 35 GLY B O +4613 N N A SER B 35 ? 0.5922 0.5545 0.5421 -0.0212 -0.0068 0.0218 36 SER B N +4614 N N B SER B 35 ? 0.5927 0.5549 0.5425 -0.0212 -0.0068 0.0218 36 SER B N +4615 C CA A SER B 35 ? 0.6245 0.5841 0.5719 -0.0201 -0.0084 0.0216 36 SER B CA +4616 C CA B SER B 35 ? 0.6247 0.5842 0.5722 -0.0202 -0.0084 0.0217 36 SER B CA +4617 C C A SER B 35 ? 0.6081 0.5685 0.5572 -0.0205 -0.0101 0.0211 36 SER B C +4618 C C B SER B 35 ? 0.6052 0.5661 0.5547 -0.0204 -0.0100 0.0211 36 SER B C +4619 O O A SER B 35 ? 0.6191 0.5786 0.5672 -0.0192 -0.0113 0.0208 36 SER B O +4620 O O B SER B 35 ? 0.6020 0.5627 0.5509 -0.0190 -0.0111 0.0207 36 SER B O +4621 C CB A SER B 35 ? 0.6079 0.5633 0.5519 -0.0205 -0.0085 0.0222 36 SER B CB +4622 C CB B SER B 35 ? 0.6104 0.5659 0.5549 -0.0210 -0.0087 0.0222 36 SER B CB +4623 O OG A SER B 35 ? 0.5952 0.5499 0.5398 -0.0223 -0.0086 0.0226 36 SER B OG +4624 O OG B SER B 35 ? 0.5810 0.5349 0.5232 -0.0207 -0.0075 0.0227 36 SER B OG +4625 N N . MET B 36 ? 0.6238 0.5857 0.5754 -0.0221 -0.0101 0.0211 37 MET B N +4626 C CA . MET B 36 ? 0.5900 0.5530 0.5433 -0.0224 -0.0117 0.0205 37 MET B CA +4627 C C . MET B 36 ? 0.6047 0.5711 0.5602 -0.0211 -0.0122 0.0198 37 MET B C +4628 O O . MET B 36 ? 0.6292 0.5953 0.5842 -0.0201 -0.0136 0.0194 37 MET B O +4629 C CB . MET B 36 ? 0.6332 0.5968 0.5883 -0.0246 -0.0115 0.0206 37 MET B CB +4630 C CG . MET B 36 ? 0.5417 0.5054 0.4978 -0.0251 -0.0132 0.0201 37 MET B CG +4631 S SD . MET B 36 ? 0.6214 0.5805 0.5741 -0.0250 -0.0143 0.0203 37 MET B SD +4632 C CE . MET B 36 ? 0.5823 0.5414 0.5338 -0.0228 -0.0155 0.0199 37 MET B CE +4633 N N . ALA B 37 ? 0.6234 0.5932 0.5813 -0.0210 -0.0109 0.0197 38 ALA B N +4634 C CA . ALA B 37 ? 0.6150 0.5886 0.5753 -0.0195 -0.0113 0.0189 38 ALA B CA +4635 C C . ALA B 37 ? 0.5735 0.5453 0.5311 -0.0170 -0.0119 0.0188 38 ALA B C +4636 O O . ALA B 37 ? 0.6142 0.5871 0.5723 -0.0156 -0.0132 0.0183 38 ALA B O +4637 C CB . ALA B 37 ? 0.6282 0.6059 0.5917 -0.0200 -0.0096 0.0188 38 ALA B CB +4638 N N . LEU B 38 ? 0.6189 0.5878 0.5734 -0.0165 -0.0110 0.0194 39 LEU B N +4639 C CA . LEU B 38 ? 0.6414 0.6081 0.5930 -0.0143 -0.0115 0.0193 39 LEU B CA +4640 C C . LEU B 38 ? 0.5851 0.5486 0.5344 -0.0141 -0.0132 0.0192 39 LEU B C +4641 O O . LEU B 38 ? 0.6254 0.5884 0.5736 -0.0124 -0.0142 0.0189 39 LEU B O +4642 C CB . LEU B 38 ? 0.5738 0.5377 0.5223 -0.0140 -0.0102 0.0198 39 LEU B CB +4643 C CG . LEU B 38 ? 0.8430 0.8097 0.7930 -0.0136 -0.0084 0.0198 39 LEU B CG +4644 C CD1 . LEU B 38 ? 0.6443 0.6078 0.5908 -0.0133 -0.0071 0.0204 39 LEU B CD1 +4645 C CD2 . LEU B 38 ? 0.6571 0.6270 0.6089 -0.0115 -0.0085 0.0191 39 LEU B CD2 +4646 N N . TYR B 39 ? 0.6502 0.6116 0.5988 -0.0158 -0.0136 0.0196 40 TYR B N +4647 C CA . TYR B 39 ? 0.5882 0.5469 0.5350 -0.0158 -0.0151 0.0195 40 TYR B CA +4648 C C . TYR B 39 ? 0.6147 0.5756 0.5634 -0.0154 -0.0163 0.0189 40 TYR B C +4649 O O . TYR B 39 ? 0.6338 0.5930 0.5806 -0.0141 -0.0174 0.0187 40 TYR B O +4650 C CB . TYR B 39 ? 0.6095 0.5660 0.5556 -0.0178 -0.0151 0.0199 40 TYR B CB +4651 C CG . TYR B 39 ? 0.7145 0.6685 0.6590 -0.0180 -0.0164 0.0198 40 TYR B CG +4652 C CD1 . TYR B 39 ? 0.6989 0.6495 0.6402 -0.0175 -0.0167 0.0199 40 TYR B CD1 +4653 C CD2 . TYR B 39 ? 0.6477 0.6028 0.5938 -0.0189 -0.0173 0.0195 40 TYR B CD2 +4654 C CE1 . TYR B 39 ? 0.7842 0.7326 0.7242 -0.0178 -0.0176 0.0198 40 TYR B CE1 +4655 C CE2 . TYR B 39 ? 0.6667 0.6195 0.6113 -0.0191 -0.0183 0.0194 40 TYR B CE2 +4656 C CZ . TYR B 39 ? 0.7218 0.6713 0.6634 -0.0186 -0.0183 0.0196 40 TYR B CZ +4657 O OH . TYR B 39 ? 0.7669 0.7142 0.7070 -0.0190 -0.0191 0.0194 40 TYR B OH +4658 N N . GLU B 40 ? 0.6226 0.5871 0.5748 -0.0163 -0.0162 0.0186 41 GLU B N +4659 C CA . GLU B 40 ? 0.6079 0.5747 0.5620 -0.0159 -0.0176 0.0179 41 GLU B CA +4660 C C . GLU B 40 ? 0.5591 0.5276 0.5133 -0.0134 -0.0180 0.0175 41 GLU B C +4661 O O . GLU B 40 ? 0.6447 0.6125 0.5979 -0.0122 -0.0195 0.0171 41 GLU B O +4662 C CB . GLU B 40 ? 0.6354 0.6059 0.5934 -0.0176 -0.0174 0.0176 41 GLU B CB +4663 C CG . GLU B 40 ? 0.5878 0.5562 0.5453 -0.0197 -0.0175 0.0179 41 GLU B CG +4664 C CD . GLU B 40 ? 0.6181 0.5896 0.5792 -0.0216 -0.0174 0.0176 41 GLU B CD +4665 O OE1 . GLU B 40 ? 0.6593 0.6349 0.6236 -0.0213 -0.0175 0.0169 41 GLU B OE1 +4666 O OE2 . GLU B 40 ? 0.6390 0.6087 0.5997 -0.0233 -0.0173 0.0178 41 GLU B OE2 +4667 N N . LEU B 41 ? 0.6492 0.6194 0.6042 -0.0126 -0.0168 0.0175 42 LEU B N +4668 C CA . LEU B 41 ? 0.6622 0.6339 0.6172 -0.0100 -0.0171 0.0171 42 LEU B CA +4669 C C . LEU B 41 ? 0.7277 0.6947 0.6782 -0.0083 -0.0178 0.0173 42 LEU B C +4670 O O . LEU B 41 ? 0.7060 0.6733 0.6558 -0.0062 -0.0187 0.0169 42 LEU B O +4671 C CB . LEU B 41 ? 0.6081 0.5823 0.5646 -0.0094 -0.0153 0.0171 42 LEU B CB +4672 C CG . LEU B 41 ? 0.8561 0.8358 0.8176 -0.0105 -0.0146 0.0166 42 LEU B CG +4673 C CD1 . LEU B 41 ? 0.7298 0.7118 0.6925 -0.0101 -0.0125 0.0167 42 LEU B CD1 +4674 C CD2 . LEU B 41 ? 0.6430 0.6264 0.6073 -0.0094 -0.0163 0.0157 42 LEU B CD2 +4675 N N . ALA B 42 ? 0.7066 0.6695 0.6540 -0.0093 -0.0173 0.0179 43 ALA B N +4676 C CA . ALA B 42 ? 0.6483 0.6067 0.5915 -0.0080 -0.0179 0.0180 43 ALA B CA +4677 C C . ALA B 42 ? 0.7104 0.6668 0.6523 -0.0082 -0.0194 0.0179 43 ALA B C +4678 O O . ALA B 42 ? 0.7149 0.6678 0.6534 -0.0070 -0.0199 0.0180 43 ALA B O +4679 C CB . ALA B 42 ? 0.6290 0.5839 0.5696 -0.0090 -0.0169 0.0186 43 ALA B CB +4680 N N . THR B 43 ? 0.7026 0.6609 0.6467 -0.0097 -0.0200 0.0178 44 THR B N +4681 C CA . THR B 43 ? 0.7052 0.6615 0.6479 -0.0099 -0.0213 0.0177 44 THR B CA +4682 C C . THR B 43 ? 0.7398 0.6993 0.6848 -0.0091 -0.0226 0.0171 44 THR B C +4683 O O . THR B 43 ? 0.7548 0.7125 0.6980 -0.0087 -0.0238 0.0169 44 THR B O +4684 C CB . THR B 43 ? 0.7077 0.6625 0.6503 -0.0123 -0.0211 0.0180 44 THR B CB +4685 O OG1 . THR B 43 ? 0.8524 0.8106 0.7986 -0.0137 -0.0206 0.0179 44 THR B OG1 +4686 C CG2 . THR B 43 ? 0.6090 0.5606 0.5493 -0.0129 -0.0200 0.0185 44 THR B CG2 +4687 N N . PHE B 44 ? 0.6526 0.6168 0.6014 -0.0089 -0.0223 0.0167 45 PHE B N +4688 C CA . PHE B 44 ? 0.7545 0.7223 0.7060 -0.0085 -0.0237 0.0159 45 PHE B CA +4689 C C . PHE B 44 ? 0.7104 0.6777 0.6601 -0.0056 -0.0249 0.0156 45 PHE B C +4690 O O . PHE B 44 ? 0.6632 0.6304 0.6121 -0.0038 -0.0244 0.0156 45 PHE B O +4691 C CB . PHE B 44 ? 0.6078 0.5811 0.5642 -0.0092 -0.0229 0.0155 45 PHE B CB +4692 C CG . PHE B 44 ? 0.6179 0.5955 0.5776 -0.0088 -0.0243 0.0146 45 PHE B CG +4693 C CD1 . PHE B 44 ? 0.5797 0.5573 0.5399 -0.0102 -0.0255 0.0143 45 PHE B CD1 +4694 C CD2 . PHE B 44 ? 0.6639 0.6459 0.6264 -0.0070 -0.0244 0.0139 45 PHE B CD2 +4695 C CE1 . PHE B 44 ? 0.6895 0.6711 0.6528 -0.0099 -0.0270 0.0133 45 PHE B CE1 +4696 C CE2 . PHE B 44 ? 0.6877 0.6741 0.6536 -0.0067 -0.0259 0.0130 45 PHE B CE2 +4697 C CZ . PHE B 44 ? 0.6257 0.6120 0.5921 -0.0081 -0.0273 0.0126 45 PHE B CZ +4698 N N . ASP B 45 ? 0.6477 0.6146 0.5967 -0.0051 -0.0266 0.0152 46 ASP B N +4699 C CA . ASP B 45 ? 0.6438 0.6105 0.5912 -0.0023 -0.0281 0.0148 46 ASP B CA +4700 C C . ASP B 45 ? 0.6302 0.6029 0.5822 -0.0016 -0.0292 0.0138 46 ASP B C +4701 O O . ASP B 45 ? 0.6653 0.6398 0.6191 -0.0028 -0.0302 0.0134 46 ASP B O +4702 C CB . ASP B 45 ? 0.6252 0.5873 0.5684 -0.0021 -0.0293 0.0150 46 ASP B CB +4703 C CG . ASP B 45 ? 0.7642 0.7255 0.7051 0.0010 -0.0310 0.0146 46 ASP B CG +4704 O OD1 . ASP B 45 ? 0.6972 0.6611 0.6395 0.0032 -0.0313 0.0142 46 ASP B OD1 +4705 O OD2 . ASP B 45 ? 0.9312 0.8892 0.8689 0.0012 -0.0322 0.0147 46 ASP B OD2 +4706 N N . PRO B 46 ? 0.7303 0.7065 0.6845 0.0003 -0.0289 0.0134 47 PRO B N +4707 C CA . PRO B 46 ? 0.6103 0.5928 0.5694 0.0009 -0.0298 0.0124 47 PRO B CA +4708 C C . PRO B 46 ? 0.8386 0.8216 0.7967 0.0036 -0.0322 0.0117 47 PRO B C +4709 O O . PRO B 46 ? 0.6892 0.6778 0.6515 0.0044 -0.0333 0.0107 47 PRO B O +4710 C CB . PRO B 46 ? 0.6998 0.6855 0.6613 0.0020 -0.0282 0.0123 47 PRO B CB +4711 C CG . PRO B 46 ? 0.6501 0.6305 0.6067 0.0037 -0.0276 0.0130 47 PRO B CG +4712 C CD . PRO B 46 ? 0.7074 0.6818 0.6595 0.0020 -0.0276 0.0138 47 PRO B CD +4713 N N . SER B 47 ? 0.6153 0.5928 0.5680 0.0050 -0.0332 0.0121 48 SER B N +4714 C CA . SER B 47 ? 0.6867 0.6641 0.6377 0.0082 -0.0353 0.0116 48 SER B CA +4715 C C . SER B 47 ? 0.7114 0.6905 0.6634 0.0079 -0.0375 0.0109 48 SER B C +4716 O O . SER B 47 ? 0.8017 0.7812 0.7526 0.0107 -0.0395 0.0103 48 SER B O +4717 C CB . SER B 47 ? 0.6155 0.5857 0.5598 0.0098 -0.0353 0.0124 48 SER B CB +4718 O OG . SER B 47 ? 0.7816 0.7473 0.7226 0.0079 -0.0354 0.0130 48 SER B OG +4719 N N . ASP B 48 ? 0.7487 0.7288 0.7027 0.0049 -0.0374 0.0108 49 ASP B N +4720 C CA . ASP B 48 ? 0.6934 0.6748 0.6479 0.0047 -0.0397 0.0100 49 ASP B CA +4721 C C . ASP B 48 ? 0.7014 0.6868 0.6607 0.0015 -0.0393 0.0095 49 ASP B C +4722 O O . ASP B 48 ? 0.6718 0.6544 0.6297 -0.0009 -0.0389 0.0099 49 ASP B O +4723 C CB . ASP B 48 ? 0.6278 0.6024 0.5760 0.0049 -0.0404 0.0106 49 ASP B CB +4724 C CG . ASP B 48 ? 0.6412 0.6166 0.5892 0.0052 -0.0428 0.0098 49 ASP B CG +4725 O OD1 . ASP B 48 ? 0.6558 0.6369 0.6082 0.0056 -0.0443 0.0087 49 ASP B OD1 +4726 O OD2 . ASP B 48 ? 0.7713 0.7416 0.7146 0.0048 -0.0433 0.0103 49 ASP B OD2 +4727 N N . PRO B 49 ? 0.7614 0.7535 0.7266 0.0014 -0.0394 0.0085 50 PRO B N +4728 C CA . PRO B 49 ? 0.7059 0.7018 0.6757 -0.0018 -0.0390 0.0079 50 PRO B CA +4729 C C . PRO B 49 ? 0.6630 0.6588 0.6325 -0.0027 -0.0412 0.0072 50 PRO B C +4730 O O . PRO B 49 ? 0.7555 0.7537 0.7282 -0.0055 -0.0410 0.0067 50 PRO B O +4731 C CB . PRO B 49 ? 0.7315 0.7348 0.7075 -0.0013 -0.0388 0.0070 50 PRO B CB +4732 C CG . PRO B 49 ? 0.8098 0.8136 0.7844 0.0026 -0.0400 0.0067 50 PRO B CG +4733 C CD . PRO B 49 ? 0.7065 0.7028 0.6743 0.0040 -0.0394 0.0080 50 PRO B CD +4734 N N . VAL B 50 ? 0.7476 0.7405 0.7130 -0.0004 -0.0433 0.0071 51 VAL B N +4735 C CA . VAL B 50 ? 0.8002 0.7930 0.7649 -0.0008 -0.0456 0.0062 51 VAL B CA +4736 C C . VAL B 50 ? 0.5766 0.5632 0.5367 -0.0026 -0.0451 0.0071 51 VAL B C +4737 O O . VAL B 50 ? 0.6832 0.6704 0.6448 -0.0051 -0.0451 0.0067 51 VAL B O +4738 C CB . VAL B 50 ? 0.8027 0.7956 0.7652 0.0029 -0.0482 0.0056 51 VAL B CB +4739 C CG1 . VAL B 50 ? 0.7004 0.6915 0.6605 0.0027 -0.0506 0.0050 51 VAL B CG1 +4740 C CG2 . VAL B 50 ? 0.6865 0.6866 0.6545 0.0045 -0.0491 0.0045 51 VAL B CG2 +4741 N N . LEU B 51 ? 0.6993 0.6800 0.6537 -0.0012 -0.0445 0.0081 52 LEU B N +4742 C CA . LEU B 51 ? 0.6418 0.6167 0.5918 -0.0027 -0.0439 0.0089 52 LEU B CA +4743 C C . LEU B 51 ? 0.7049 0.6768 0.6538 -0.0043 -0.0412 0.0101 52 LEU B C +4744 O O . LEU B 51 ? 0.6226 0.5901 0.5684 -0.0058 -0.0404 0.0107 52 LEU B O +4745 C CB . LEU B 51 ? 0.6339 0.6038 0.5777 -0.0002 -0.0453 0.0092 52 LEU B CB +4746 C CG . LEU B 51 ? 0.6362 0.6083 0.5802 0.0014 -0.0482 0.0080 52 LEU B CG +4747 C CD1 . LEU B 51 ? 0.6034 0.5695 0.5404 0.0037 -0.0494 0.0085 52 LEU B CD1 +4748 C CD2 . LEU B 51 ? 0.6066 0.5807 0.5532 -0.0013 -0.0489 0.0072 52 LEU B CD2 +4749 N N . ASN B 52 ? 0.6214 0.5955 0.5727 -0.0040 -0.0397 0.0104 53 ASN B N +4750 C CA . ASN B 52 ? 0.6495 0.6213 0.6003 -0.0057 -0.0373 0.0114 53 ASN B CA +4751 C C . ASN B 52 ? 0.5210 0.4977 0.4772 -0.0072 -0.0359 0.0112 53 ASN B C +4752 O O . ASN B 52 ? 0.6050 0.5818 0.5615 -0.0067 -0.0344 0.0118 53 ASN B O +4753 C CB . ASN B 52 ? 0.5600 0.5276 0.5066 -0.0038 -0.0365 0.0123 53 ASN B CB +4754 C CG . ASN B 52 ? 0.6490 0.6128 0.5937 -0.0057 -0.0344 0.0133 53 ASN B CG +4755 O OD1 . ASN B 52 ? 0.5998 0.5633 0.5454 -0.0081 -0.0338 0.0134 53 ASN B OD1 +4756 N ND2 . ASN B 52 ? 0.5627 0.5239 0.5050 -0.0046 -0.0333 0.0140 53 ASN B ND2 +4757 N N . PRO B 53 ? 0.5663 0.5467 0.5264 -0.0091 -0.0363 0.0105 54 PRO B N +4758 C CA . PRO B 53 ? 0.6300 0.6147 0.5950 -0.0108 -0.0348 0.0103 54 PRO B CA +4759 C C . PRO B 53 ? 0.7684 0.7501 0.7323 -0.0129 -0.0326 0.0114 54 PRO B C +4760 O O . PRO B 53 ? 0.5608 0.5376 0.5208 -0.0135 -0.0323 0.0121 54 PRO B O +4761 C CB . PRO B 53 ? 0.5853 0.5739 0.5541 -0.0125 -0.0361 0.0092 54 PRO B CB +4762 C CG . PRO B 53 ? 0.6061 0.5904 0.5712 -0.0130 -0.0372 0.0092 54 PRO B CG +4763 C CD . PRO B 53 ? 0.6302 0.6106 0.5903 -0.0102 -0.0380 0.0097 54 PRO B CD +4764 N N . MET B 54 ? 0.6290 0.6139 0.5964 -0.0140 -0.0309 0.0115 55 MET B N +4765 C CA . MET B 54 ? 0.6239 0.6062 0.5903 -0.0156 -0.0288 0.0125 55 MET B CA +4766 C C . MET B 54 ? 0.6656 0.6446 0.6305 -0.0179 -0.0287 0.0128 55 MET B C +4767 O O . MET B 54 ? 0.6640 0.6391 0.6260 -0.0184 -0.0276 0.0136 55 MET B O +4768 C CB . MET B 54 ? 0.6434 0.6300 0.6142 -0.0168 -0.0272 0.0123 55 MET B CB +4769 C CG . MET B 54 ? 0.6366 0.6274 0.6119 -0.0188 -0.0276 0.0114 55 MET B CG +4770 S SD . MET B 54 ? 0.6856 0.6807 0.6654 -0.0205 -0.0252 0.0115 55 MET B SD +4771 C CE . MET B 54 ? 0.7015 0.7020 0.6843 -0.0177 -0.0256 0.0107 55 MET B CE +4772 N N . TRP B 55 ? 0.5523 0.5329 0.5189 -0.0192 -0.0299 0.0120 56 TRP B N +4773 C CA . TRP B 55 ? 0.5785 0.5559 0.5436 -0.0212 -0.0297 0.0122 56 TRP B CA +4774 C C . TRP B 55 ? 0.6555 0.6280 0.6158 -0.0203 -0.0304 0.0126 56 TRP B C +4775 O O . TRP B 55 ? 0.6026 0.5721 0.5613 -0.0218 -0.0300 0.0129 56 TRP B O +4776 C CB . TRP B 55 ? 0.5018 0.4820 0.4701 -0.0231 -0.0306 0.0112 56 TRP B CB +4777 C CG . TRP B 55 ? 0.6224 0.6054 0.5919 -0.0218 -0.0328 0.0101 56 TRP B CG +4778 C CD1 . TRP B 55 ? 0.6115 0.5999 0.5849 -0.0210 -0.0335 0.0092 56 TRP B CD1 +4779 C CD2 . TRP B 55 ? 0.6237 0.6044 0.5903 -0.0211 -0.0348 0.0096 56 TRP B CD2 +4780 N NE1 . TRP B 55 ? 0.6528 0.6424 0.6260 -0.0198 -0.0359 0.0082 56 TRP B NE1 +4781 C CE2 . TRP B 55 ? 0.6113 0.5960 0.5801 -0.0198 -0.0367 0.0085 56 TRP B CE2 +4782 C CE3 . TRP B 55 ? 0.5593 0.5350 0.5217 -0.0213 -0.0350 0.0100 56 TRP B CE3 +4783 C CZ2 . TRP B 55 ? 0.5789 0.5625 0.5456 -0.0187 -0.0390 0.0078 56 TRP B CZ2 +4784 C CZ3 . TRP B 55 ? 0.6237 0.5982 0.5839 -0.0203 -0.0370 0.0093 56 TRP B CZ3 +4785 C CH2 . TRP B 55 ? 0.6031 0.5815 0.5653 -0.0190 -0.0391 0.0082 56 TRP B CH2 +4786 N N . ARG B 56 ? 0.6025 0.5743 0.5607 -0.0180 -0.0316 0.0125 57 ARG B N +4787 C CA . ARG B 56 ? 0.5713 0.5381 0.5246 -0.0171 -0.0319 0.0130 57 ARG B CA +4788 C C . ARG B 56 ? 0.6264 0.5901 0.5774 -0.0168 -0.0303 0.0140 57 ARG B C +4789 O O . ARG B 56 ? 0.6638 0.6233 0.6111 -0.0167 -0.0301 0.0145 57 ARG B O +4790 C CB . ARG B 56 ? 0.5678 0.5343 0.5191 -0.0147 -0.0337 0.0125 57 ARG B CB +4791 C CG . ARG B 56 ? 0.6080 0.5769 0.5608 -0.0148 -0.0358 0.0114 57 ARG B CG +4792 C CD . ARG B 56 ? 0.6409 0.6060 0.5906 -0.0157 -0.0363 0.0113 57 ARG B CD +4793 N NE . ARG B 56 ? 0.6749 0.6352 0.6195 -0.0143 -0.0362 0.0120 57 ARG B NE +4794 C CZ . ARG B 56 ? 0.6424 0.5986 0.5835 -0.0149 -0.0361 0.0123 57 ARG B CZ +4795 N NH1 . ARG B 56 ? 0.5916 0.5478 0.5334 -0.0166 -0.0365 0.0118 57 ARG B NH1 +4796 N NH2 . ARG B 56 ? 0.6390 0.5909 0.5758 -0.0138 -0.0356 0.0130 57 ARG B NH2 +4797 N N . GLN B 57 ? 0.6067 0.5725 0.5597 -0.0167 -0.0290 0.0143 58 GLN B N +4798 C CA . GLN B 57 ? 0.5690 0.5322 0.5198 -0.0161 -0.0277 0.0151 58 GLN B CA +4799 C C . GLN B 57 ? 0.6305 0.5930 0.5821 -0.0180 -0.0261 0.0157 58 GLN B C +4800 O O . GLN B 57 ? 0.6451 0.6062 0.5955 -0.0176 -0.0249 0.0163 58 GLN B O +4801 C CB . GLN B 57 ? 0.5811 0.5468 0.5331 -0.0141 -0.0276 0.0150 58 GLN B CB +4802 C CG . GLN B 57 ? 0.6633 0.6288 0.6136 -0.0117 -0.0292 0.0146 58 GLN B CG +4803 C CD . GLN B 57 ? 0.6364 0.6040 0.5875 -0.0095 -0.0290 0.0145 58 GLN B CD +4804 O OE1 . GLN B 57 ? 0.6584 0.6244 0.6083 -0.0091 -0.0277 0.0151 58 GLN B OE1 +4805 N NE2 . GLN B 57 ? 0.6516 0.6231 0.6051 -0.0081 -0.0303 0.0137 58 GLN B NE2 +4806 N N . GLY B 58 ? 0.5711 0.5343 0.5244 -0.0200 -0.0260 0.0155 59 GLY B N +4807 C CA . GLY B 58 ? 0.6464 0.6085 0.6001 -0.0217 -0.0245 0.0161 59 GLY B CA +4808 C C . GLY B 58 ? 0.6657 0.6307 0.6220 -0.0221 -0.0233 0.0163 59 GLY B C +4809 O O . GLY B 58 ? 0.6179 0.5815 0.5737 -0.0229 -0.0220 0.0169 59 GLY B O +4810 N N . MET B 59 ? 0.5873 0.5563 0.5464 -0.0214 -0.0236 0.0157 60 MET B N +4811 C CA . MET B 59 ? 0.5594 0.5312 0.5211 -0.0217 -0.0222 0.0158 60 MET B CA +4812 C C . MET B 59 ? 0.6076 0.5809 0.5719 -0.0242 -0.0215 0.0158 60 MET B C +4813 O O . MET B 59 ? 0.5777 0.5525 0.5438 -0.0252 -0.0225 0.0151 60 MET B O +4814 C CB . MET B 59 ? 0.5511 0.5270 0.5152 -0.0201 -0.0228 0.0152 60 MET B CB +4815 C CG . MET B 59 ? 0.6092 0.5836 0.5705 -0.0174 -0.0234 0.0153 60 MET B CG +4816 S SD . MET B 59 ? 0.6522 0.6231 0.6105 -0.0168 -0.0217 0.0163 60 MET B SD +4817 C CE . MET B 59 ? 0.5885 0.5546 0.5420 -0.0154 -0.0229 0.0165 60 MET B CE +4818 N N . PHE B 60 ? 0.6040 0.5763 0.5681 -0.0252 -0.0198 0.0165 61 PHE B N +4819 C CA . PHE B 60 ? 0.5641 0.5366 0.5297 -0.0275 -0.0189 0.0166 61 PHE B CA +4820 C C . PHE B 60 ? 0.6733 0.6494 0.6420 -0.0282 -0.0173 0.0166 61 PHE B C +4821 O O . PHE B 60 ? 0.6803 0.6588 0.6520 -0.0300 -0.0171 0.0161 61 PHE B O +4822 C CB . PHE B 60 ? 0.6535 0.6216 0.6161 -0.0283 -0.0181 0.0175 61 PHE B CB +4823 C CG . PHE B 60 ? 0.7048 0.6722 0.6682 -0.0306 -0.0172 0.0177 61 PHE B CG +4824 C CD1 . PHE B 60 ? 0.6731 0.6410 0.6380 -0.0320 -0.0181 0.0171 61 PHE B CD1 +4825 C CD2 . PHE B 60 ? 0.6768 0.6425 0.6391 -0.0312 -0.0156 0.0186 61 PHE B CD2 +4826 C CE1 . PHE B 60 ? 0.6865 0.6533 0.6519 -0.0341 -0.0172 0.0173 61 PHE B CE1 +4827 C CE2 . PHE B 60 ? 0.7007 0.6651 0.6633 -0.0332 -0.0148 0.0188 61 PHE B CE2 +4828 C CZ . PHE B 60 ? 0.6820 0.6469 0.6461 -0.0347 -0.0156 0.0182 61 PHE B CZ +4829 N N . VAL B 61 ? 0.5181 0.4947 0.4863 -0.0270 -0.0162 0.0170 62 VAL B N +4830 C CA . VAL B 61 ? 0.6037 0.5837 0.5748 -0.0276 -0.0145 0.0170 62 VAL B CA +4831 C C . VAL B 61 ? 0.6097 0.5946 0.5840 -0.0262 -0.0150 0.0161 62 VAL B C +4832 O O . VAL B 61 ? 0.6226 0.6116 0.6005 -0.0272 -0.0141 0.0157 62 VAL B O +4833 C CB . VAL B 61 ? 0.6316 0.6093 0.6003 -0.0273 -0.0127 0.0180 62 VAL B CB +4834 C CG1 . VAL B 61 ? 0.6536 0.6272 0.6200 -0.0290 -0.0120 0.0188 62 VAL B CG1 +4835 C CG2 . VAL B 61 ? 0.5588 0.5348 0.5247 -0.0248 -0.0131 0.0182 62 VAL B CG2 +4836 N N . LEU B 62 ? 0.5049 0.4895 0.4778 -0.0239 -0.0165 0.0158 63 LEU B N +4837 C CA . LEU B 62 ? 0.6850 0.6741 0.6608 -0.0224 -0.0174 0.0149 63 LEU B CA +4838 C C . LEU B 62 ? 0.6406 0.6341 0.6209 -0.0239 -0.0180 0.0139 63 LEU B C +4839 O O . LEU B 62 ? 0.6380 0.6365 0.6222 -0.0238 -0.0174 0.0133 63 LEU B O +4840 C CB . LEU B 62 ? 0.5638 0.5511 0.5369 -0.0199 -0.0192 0.0147 63 LEU B CB +4841 C CG . LEU B 62 ? 0.7720 0.7619 0.7459 -0.0172 -0.0194 0.0142 63 LEU B CG +4842 C CD1 . LEU B 62 ? 0.6839 0.6726 0.6562 -0.0164 -0.0175 0.0150 63 LEU B CD1 +4843 C CD2 . LEU B 62 ? 0.8502 0.8379 0.8212 -0.0149 -0.0215 0.0140 63 LEU B CD2 +4844 N N . PRO B 63 ? 0.6879 0.6801 0.6681 -0.0255 -0.0193 0.0136 64 PRO B N +4845 C CA . PRO B 63 ? 0.5866 0.5831 0.5711 -0.0271 -0.0199 0.0125 64 PRO B CA +4846 C C . PRO B 63 ? 0.6958 0.6949 0.6836 -0.0295 -0.0178 0.0125 64 PRO B C +4847 O O . PRO B 63 ? 0.5959 0.6001 0.5883 -0.0304 -0.0180 0.0115 64 PRO B O +4848 C CB . PRO B 63 ? 0.5806 0.5739 0.5633 -0.0283 -0.0215 0.0123 64 PRO B CB +4849 C CG . PRO B 63 ? 0.6503 0.6379 0.6282 -0.0281 -0.0208 0.0135 64 PRO B CG +4850 C CD . PRO B 63 ? 0.6207 0.6077 0.5968 -0.0257 -0.0202 0.0141 64 PRO B CD +4851 N N . PHE B 64 ? 0.6288 0.6246 0.6144 -0.0305 -0.0158 0.0137 65 PHE B N +4852 C CA . PHE B 64 ? 0.6287 0.6265 0.6169 -0.0328 -0.0136 0.0138 65 PHE B CA +4853 C C . PHE B 64 ? 0.6925 0.6948 0.6835 -0.0317 -0.0121 0.0136 65 PHE B C +4854 O O . PHE B 64 ? 0.6278 0.6342 0.6228 -0.0334 -0.0109 0.0131 65 PHE B O +4855 C CB . PHE B 64 ? 0.5793 0.5718 0.5639 -0.0342 -0.0121 0.0151 65 PHE B CB +4856 C CG . PHE B 64 ? 0.5831 0.5722 0.5661 -0.0358 -0.0131 0.0151 65 PHE B CG +4857 C CD1 . PHE B 64 ? 0.5677 0.5527 0.5470 -0.0346 -0.0147 0.0154 65 PHE B CD1 +4858 C CD2 . PHE B 64 ? 0.5555 0.5454 0.5409 -0.0387 -0.0126 0.0148 65 PHE B CD2 +4859 C CE1 . PHE B 64 ? 0.5685 0.5505 0.5464 -0.0360 -0.0156 0.0154 65 PHE B CE1 +4860 C CE2 . PHE B 64 ? 0.6159 0.6026 0.5997 -0.0401 -0.0137 0.0147 65 PHE B CE2 +4861 C CZ . PHE B 64 ? 0.5766 0.5594 0.5567 -0.0386 -0.0152 0.0150 65 PHE B CZ +4862 N N . MET B 65 ? 0.5809 0.5825 0.5698 -0.0289 -0.0123 0.0139 66 MET B N +4863 C CA . MET B 65 ? 0.6607 0.6668 0.6522 -0.0274 -0.0112 0.0135 66 MET B CA +4864 C C . MET B 65 ? 0.6921 0.7042 0.6884 -0.0267 -0.0127 0.0121 66 MET B C +4865 O O . MET B 65 ? 0.6413 0.6588 0.6422 -0.0273 -0.0115 0.0114 66 MET B O +4866 C CB . MET B 65 ? 0.6180 0.6214 0.6057 -0.0244 -0.0111 0.0142 66 MET B CB +4867 C CG . MET B 65 ? 0.5597 0.5585 0.5436 -0.0250 -0.0092 0.0154 66 MET B CG +4868 S SD . MET B 65 ? 0.6434 0.6388 0.6227 -0.0219 -0.0091 0.0161 66 MET B SD +4869 C CE . MET B 65 ? 0.5604 0.5508 0.5358 -0.0213 -0.0116 0.0163 66 MET B CE +4870 N N . ALA B 66 ? 0.6068 0.6181 0.6021 -0.0255 -0.0154 0.0115 67 ALA B N +4871 C CA . ALA B 66 ? 0.7357 0.7523 0.7350 -0.0246 -0.0173 0.0101 67 ALA B CA +4872 C C . ALA B 66 ? 0.6761 0.6968 0.6803 -0.0276 -0.0171 0.0092 67 ALA B C +4873 O O . ALA B 66 ? 0.6648 0.6918 0.6741 -0.0274 -0.0173 0.0080 67 ALA B O +4874 C CB . ALA B 66 ? 0.5465 0.5605 0.5429 -0.0228 -0.0201 0.0098 67 ALA B CB +4875 N N . ARG B 67 ? 0.6151 0.6324 0.6180 -0.0304 -0.0166 0.0097 68 ARG B N +4876 C CA . ARG B 67 ? 0.5869 0.6073 0.5939 -0.0335 -0.0165 0.0088 68 ARG B CA +4877 C C . ARG B 67 ? 0.6358 0.6618 0.6479 -0.0348 -0.0143 0.0083 68 ARG B C +4878 O O . ARG B 67 ? 0.6131 0.6445 0.6304 -0.0361 -0.0148 0.0070 68 ARG B O +4879 C CB . ARG B 67 ? 0.6025 0.6174 0.6065 -0.0362 -0.0159 0.0096 68 ARG B CB +4880 C CG . ARG B 67 ? 0.5750 0.5922 0.5828 -0.0397 -0.0155 0.0088 68 ARG B CG +4881 C CD . ARG B 67 ? 0.5675 0.5789 0.5719 -0.0419 -0.0156 0.0095 68 ARG B CD +4882 N NE . ARG B 67 ? 0.5294 0.5364 0.5307 -0.0429 -0.0130 0.0110 68 ARG B NE +4883 C CZ . ARG B 67 ? 0.6345 0.6365 0.6329 -0.0448 -0.0125 0.0117 68 ARG B CZ +4884 N NH1 . ARG B 67 ? 0.5683 0.5684 0.5660 -0.0459 -0.0143 0.0111 68 ARG B NH1 +4885 N NH2 . ARG B 67 ? 0.5459 0.5444 0.5418 -0.0456 -0.0102 0.0130 68 ARG B NH2 +4886 N N . LEU B 68 ? 0.5866 0.6114 0.5972 -0.0344 -0.0117 0.0094 69 LEU B N +4887 C CA . LEU B 68 ? 0.6568 0.6863 0.6716 -0.0357 -0.0091 0.0091 69 LEU B CA +4888 C C . LEU B 68 ? 0.6229 0.6572 0.6401 -0.0327 -0.0088 0.0086 69 LEU B C +4889 O O . LEU B 68 ? 0.6556 0.6940 0.6762 -0.0334 -0.0064 0.0084 69 LEU B O +4890 C CB . LEU B 68 ? 0.5404 0.5654 0.5520 -0.0374 -0.0061 0.0107 69 LEU B CB +4891 C CG . LEU B 68 ? 0.5784 0.5986 0.5879 -0.0406 -0.0059 0.0113 69 LEU B CG +4892 C CD1 . LEU B 68 ? 0.6046 0.6208 0.6111 -0.0420 -0.0028 0.0127 69 LEU B CD1 +4893 C CD2 . LEU B 68 ? 0.5878 0.6120 0.6023 -0.0435 -0.0064 0.0100 69 LEU B CD2 +4894 N N . GLY B 69 ? 0.6966 0.7306 0.7121 -0.0294 -0.0110 0.0083 70 GLY B N +4895 C CA . GLY B 69 ? 0.5970 0.6364 0.6155 -0.0265 -0.0114 0.0074 70 GLY B CA +4896 C C . GLY B 69 ? 0.6690 0.7053 0.6832 -0.0230 -0.0112 0.0082 70 GLY B C +4897 O O . GLY B 69 ? 0.6696 0.7101 0.6860 -0.0204 -0.0113 0.0075 70 GLY B O +4898 N N . VAL B 70 ? 0.6997 0.7290 0.7080 -0.0229 -0.0107 0.0096 71 VAL B N +4899 C CA . VAL B 70 ? 0.6490 0.6749 0.6529 -0.0197 -0.0109 0.0103 71 VAL B CA +4900 C C . VAL B 70 ? 0.7392 0.7630 0.7407 -0.0176 -0.0141 0.0099 71 VAL B C +4901 O O . VAL B 70 ? 0.6444 0.6639 0.6430 -0.0187 -0.0153 0.0104 71 VAL B O +4902 C CB . VAL B 70 ? 0.6851 0.7046 0.6838 -0.0205 -0.0091 0.0118 71 VAL B CB +4903 C CG1 . VAL B 70 ? 0.6131 0.6291 0.6073 -0.0173 -0.0094 0.0124 71 VAL B CG1 +4904 C CG2 . VAL B 70 ? 0.6169 0.6380 0.6175 -0.0227 -0.0060 0.0123 71 VAL B CG2 +4905 N N . THR B 71 ? 0.6525 0.6795 0.6553 -0.0145 -0.0153 0.0091 72 THR B N +4906 C CA . THR B 71 ? 0.6879 0.7135 0.6889 -0.0126 -0.0184 0.0086 72 THR B CA +4907 C C . THR B 71 ? 0.6876 0.7104 0.6846 -0.0088 -0.0190 0.0090 72 THR B C +4908 O O . THR B 71 ? 0.6978 0.7183 0.6922 -0.0071 -0.0214 0.0088 72 THR B O +4909 C CB . THR B 71 ? 0.7570 0.7893 0.7636 -0.0123 -0.0201 0.0070 72 THR B CB +4910 O OG1 . THR B 71 ? 0.7524 0.7905 0.7629 -0.0106 -0.0191 0.0063 72 THR B OG1 +4911 C CG2 . THR B 71 ? 0.6951 0.7296 0.7053 -0.0162 -0.0197 0.0066 72 THR B CG2 +4912 N N . GLY B 72 ? 0.6969 0.7194 0.6930 -0.0075 -0.0170 0.0095 73 GLY B N +4913 C CA . GLY B 72 ? 0.7032 0.7236 0.6959 -0.0039 -0.0176 0.0096 73 GLY B CA +4914 C C . GLY B 72 ? 0.7622 0.7769 0.7499 -0.0037 -0.0158 0.0108 73 GLY B C +4915 O O . GLY B 72 ? 0.6727 0.6861 0.6602 -0.0061 -0.0137 0.0115 73 GLY B O +4916 N N . SER B 73 ? 0.6255 0.6366 0.6091 -0.0008 -0.0167 0.0110 74 SER B N +4917 C CA . SER B 73 ? 0.6660 0.6714 0.6444 0.0000 -0.0155 0.0120 74 SER B CA +4918 C C . SER B 73 ? 0.6120 0.6193 0.5905 0.0030 -0.0144 0.0117 74 SER B C +4919 O O . SER B 73 ? 0.6967 0.7083 0.6781 0.0053 -0.0154 0.0107 74 SER B O +4920 C CB . SER B 73 ? 0.5887 0.5878 0.5616 0.0009 -0.0173 0.0125 74 SER B CB +4921 O OG . SER B 73 ? 0.5607 0.5550 0.5289 0.0024 -0.0165 0.0132 74 SER B OG +4922 N N . TRP B 74 ? 0.6007 0.6047 0.5762 0.0030 -0.0124 0.0124 75 TRP B N +4923 C CA . TRP B 74 ? 0.7142 0.7188 0.6888 0.0060 -0.0114 0.0121 75 TRP B CA +4924 C C . TRP B 74 ? 0.6875 0.6890 0.6585 0.0093 -0.0134 0.0119 75 TRP B C +4925 O O . TRP B 74 ? 0.7675 0.7706 0.7386 0.0123 -0.0132 0.0113 75 TRP B O +4926 C CB . TRP B 74 ? 0.6828 0.6835 0.6538 0.0054 -0.0092 0.0130 75 TRP B CB +4927 C CG . TRP B 74 ? 0.7378 0.7416 0.7118 0.0031 -0.0067 0.0132 75 TRP B CG +4928 C CD1 . TRP B 74 ? 0.6542 0.6649 0.6342 0.0021 -0.0058 0.0125 75 TRP B CD1 +4929 C CD2 . TRP B 74 ? 0.6542 0.6544 0.6253 0.0013 -0.0048 0.0141 75 TRP B CD2 +4930 N NE1 . TRP B 74 ? 0.6167 0.6278 0.5974 -0.0002 -0.0032 0.0130 75 TRP B NE1 +4931 C CE2 . TRP B 74 ? 0.7087 0.7133 0.6838 -0.0006 -0.0026 0.0141 75 TRP B CE2 +4932 C CE3 . TRP B 74 ? 0.5654 0.5588 0.5307 0.0012 -0.0048 0.0150 75 TRP B CE3 +4933 C CZ2 . TRP B 74 ? 0.6471 0.6494 0.6203 -0.0025 -0.0004 0.0149 75 TRP B CZ2 +4934 C CZ3 . TRP B 74 ? 0.6940 0.6855 0.6577 -0.0007 -0.0028 0.0157 75 TRP B CZ3 +4935 C CH2 . TRP B 74 ? 0.6614 0.6571 0.6288 -0.0024 -0.0006 0.0157 75 TRP B CH2 +4936 N N . SER B 75 ? 0.7152 0.7120 0.6827 0.0089 -0.0153 0.0123 76 SER B N +4937 C CA . SER B 75 ? 0.7246 0.7176 0.6882 0.0117 -0.0171 0.0122 76 SER B CA +4938 C C . SER B 75 ? 0.7433 0.7405 0.7098 0.0137 -0.0193 0.0112 76 SER B C +4939 O O . SER B 75 ? 0.7180 0.7122 0.6812 0.0163 -0.0209 0.0111 76 SER B O +4940 C CB . SER B 75 ? 0.7139 0.7001 0.6725 0.0103 -0.0180 0.0131 76 SER B CB +4941 O OG . SER B 75 ? 0.7928 0.7803 0.7534 0.0081 -0.0193 0.0130 76 SER B OG +4942 N N . GLY B 76 ? 0.6852 0.6890 0.6577 0.0124 -0.0193 0.0105 77 GLY B N +4943 C CA . GLY B 76 ? 0.5838 0.5931 0.5601 0.0146 -0.0211 0.0093 77 GLY B CA +4944 C C . GLY B 76 ? 0.7475 0.7583 0.7257 0.0133 -0.0234 0.0089 77 GLY B C +4945 O O . GLY B 76 ? 0.7722 0.7879 0.7538 0.0150 -0.0250 0.0078 77 GLY B O +4946 N N . TRP B 77 ? 0.7405 0.7473 0.7164 0.0105 -0.0236 0.0097 78 TRP B N +4947 C CA . TRP B 77 ? 0.7131 0.7211 0.6905 0.0092 -0.0257 0.0092 78 TRP B CA +4948 C C . TRP B 77 ? 0.6446 0.6570 0.6271 0.0056 -0.0247 0.0090 78 TRP B C +4949 O O . TRP B 77 ? 0.6533 0.6662 0.6369 0.0037 -0.0223 0.0095 78 TRP B O +4950 C CB . TRP B 77 ? 0.6116 0.6122 0.5831 0.0085 -0.0268 0.0101 78 TRP B CB +4951 C CG . TRP B 77 ? 0.7355 0.7312 0.7039 0.0061 -0.0249 0.0113 78 TRP B CG +4952 C CD1 . TRP B 77 ? 0.7106 0.7010 0.6742 0.0071 -0.0239 0.0121 78 TRP B CD1 +4953 C CD2 . TRP B 77 ? 0.6445 0.6402 0.6143 0.0024 -0.0238 0.0118 78 TRP B CD2 +4954 N NE1 . TRP B 77 ? 0.7064 0.6936 0.6684 0.0043 -0.0225 0.0130 78 TRP B NE1 +4955 C CE2 . TRP B 77 ? 0.6573 0.6476 0.6230 0.0015 -0.0224 0.0128 78 TRP B CE2 +4956 C CE3 . TRP B 77 ? 0.6279 0.6273 0.6019 -0.0002 -0.0241 0.0113 78 TRP B CE3 +4957 C CZ2 . TRP B 77 ? 0.6384 0.6271 0.6042 -0.0017 -0.0212 0.0135 78 TRP B CZ2 +4958 C CZ3 . TRP B 77 ? 0.6483 0.6459 0.6221 -0.0034 -0.0228 0.0120 78 TRP B CZ3 +4959 C CH2 . TRP B 77 ? 0.7264 0.7186 0.6960 -0.0040 -0.0214 0.0131 78 TRP B CH2 +4960 N N . SER B 78 ? 0.6566 0.6721 0.6420 0.0047 -0.0265 0.0082 79 SER B N +4961 C CA . SER B 78 ? 0.6997 0.7184 0.6892 0.0010 -0.0259 0.0079 79 SER B CA +4962 C C . SER B 78 ? 0.7207 0.7360 0.7079 -0.0005 -0.0278 0.0081 79 SER B C +4963 O O . SER B 78 ? 0.7131 0.7252 0.6967 0.0015 -0.0298 0.0081 79 SER B O +4964 C CB . SER B 78 ? 0.7574 0.7846 0.7540 0.0010 -0.0261 0.0065 79 SER B CB +4965 O OG . SER B 78 ? 0.8831 0.9123 0.8809 0.0020 -0.0291 0.0055 79 SER B OG +4966 N N . ILE B 79 ? 0.7024 0.7180 0.6914 -0.0041 -0.0270 0.0082 80 ILE B N +4967 C CA . ILE B 79 ? 0.6732 0.6854 0.6600 -0.0056 -0.0286 0.0084 80 ILE B CA +4968 C C . ILE B 79 ? 0.7386 0.7545 0.7279 -0.0050 -0.0313 0.0071 80 ILE B C +4969 O O . ILE B 79 ? 0.8291 0.8419 0.8159 -0.0056 -0.0329 0.0071 80 ILE B O +4970 C CB . ILE B 79 ? 0.7157 0.7268 0.7033 -0.0095 -0.0272 0.0089 80 ILE B CB +4971 C CG1 . ILE B 79 ? 0.6964 0.7141 0.6904 -0.0114 -0.0261 0.0080 80 ILE B CG1 +4972 C CG2 . ILE B 79 ? 0.6934 0.6993 0.6772 -0.0103 -0.0250 0.0103 80 ILE B CG2 +4973 C CD1 . ILE B 79 ? 0.7435 0.7607 0.7389 -0.0151 -0.0256 0.0081 80 ILE B CD1 +4974 N N . THR B 80 ? 0.6949 0.7175 0.6894 -0.0039 -0.0318 0.0059 81 THR B N +4975 C CA . THR B 80 ? 0.8022 0.8285 0.7990 -0.0028 -0.0346 0.0045 81 THR B CA +4976 C C . THR B 80 ? 0.8869 0.9116 0.8804 0.0014 -0.0367 0.0043 81 THR B C +4977 O O . THR B 80 ? 0.9301 0.9578 0.9251 0.0029 -0.0393 0.0032 81 THR B O +4978 C CB . THR B 80 ? 0.6962 0.7309 0.7005 -0.0038 -0.0344 0.0031 81 THR B CB +4979 O OG1 . THR B 80 ? 0.8717 0.9100 0.8781 -0.0014 -0.0332 0.0029 81 THR B OG1 +4980 C CG2 . THR B 80 ? 0.8266 0.8625 0.8340 -0.0081 -0.0323 0.0033 81 THR B CG2 +4981 N N . GLY B 81 ? 0.7967 0.8167 0.7856 0.0034 -0.0357 0.0054 82 GLY B N +4982 C CA . GLY B 81 ? 0.8454 0.8627 0.8302 0.0072 -0.0375 0.0054 82 GLY B CA +4983 C C . GLY B 81 ? 0.8482 0.8692 0.8349 0.0106 -0.0373 0.0048 82 GLY B C +4984 O O . GLY B 81 ? 0.9572 0.9756 0.9403 0.0141 -0.0388 0.0049 82 GLY B O +4985 N N . GLU B 82 ? 0.8987 0.9257 0.8910 0.0098 -0.0355 0.0043 83 GLU B N +4986 C CA . GLU B 82 ? 0.9282 0.9589 0.9225 0.0131 -0.0351 0.0037 83 GLU B CA +4987 C C . GLU B 82 ? 0.8158 0.8408 0.8049 0.0147 -0.0333 0.0050 83 GLU B C +4988 O O . GLU B 82 ? 0.9632 0.9832 0.9491 0.0125 -0.0316 0.0062 83 GLU B O +4989 C CB . GLU B 82 ? 0.8677 0.9066 0.8696 0.0116 -0.0335 0.0028 83 GLU B CB +4990 C CG . GLU B 82 ? 1.1362 1.1816 1.1439 0.0102 -0.0354 0.0013 83 GLU B CG +4991 C CD . GLU B 82 ? 1.3760 1.4284 1.3908 0.0073 -0.0333 0.0006 83 GLU B CD +4992 O OE1 . GLU B 82 ? 1.3430 1.3941 1.3576 0.0056 -0.0302 0.0015 83 GLU B OE1 +4993 O OE2 . GLU B 82 ? 1.6984 1.7576 1.7190 0.0068 -0.0347 -0.0009 83 GLU B OE2 +4994 N N . THR B 83 ? 0.9007 0.9263 0.8888 0.0187 -0.0339 0.0046 84 THR B N +4995 C CA . THR B 83 ? 0.8539 0.8747 0.8375 0.0205 -0.0323 0.0055 84 THR B CA +4996 C C . THR B 83 ? 0.7429 0.7696 0.7307 0.0227 -0.0309 0.0047 84 THR B C +4997 O O . THR B 83 ? 0.7943 0.8284 0.7879 0.0237 -0.0319 0.0034 84 THR B O +4998 C CB . THR B 83 ? 1.0232 1.0373 1.0000 0.0237 -0.0342 0.0060 84 THR B CB +4999 O OG1 . THR B 83 ? 1.1246 1.1421 1.1029 0.0264 -0.0370 0.0049 84 THR B OG1 +5000 C CG2 . THR B 83 ? 0.9383 0.9454 0.9099 0.0213 -0.0345 0.0071 84 THR B CG2 +5001 N N . GLY B 84 ? 0.9607 0.9842 0.9459 0.0232 -0.0286 0.0055 85 GLY B N +5002 C CA . GLY B 84 ? 0.8929 0.9212 0.8814 0.0252 -0.0269 0.0048 85 GLY B CA +5003 C C . GLY B 84 ? 1.0039 1.0394 0.9993 0.0224 -0.0248 0.0043 85 GLY B C +5004 O O . GLY B 84 ? 1.0224 1.0642 1.0225 0.0240 -0.0240 0.0033 85 GLY B O +5005 N N . ILE B 85 ? 0.9828 1.0176 0.9792 0.0181 -0.0240 0.0049 86 ILE B N +5006 C CA . ILE B 85 ? 0.8202 0.8610 0.8226 0.0151 -0.0219 0.0044 86 ILE B CA +5007 C C . ILE B 85 ? 0.9946 1.0329 0.9951 0.0143 -0.0186 0.0054 86 ILE B C +5008 O O . ILE B 85 ? 0.9220 0.9532 0.9163 0.0148 -0.0181 0.0065 86 ILE B O +5009 C CB . ILE B 85 ? 1.0960 1.1371 1.1002 0.0110 -0.0225 0.0045 86 ILE B CB +5010 C CG1 . ILE B 85 ? 0.9838 1.0162 0.9814 0.0094 -0.0227 0.0060 86 ILE B CG1 +5011 C CG2 . ILE B 85 ? 0.9405 0.9858 0.9479 0.0119 -0.0256 0.0033 86 ILE B CG2 +5012 C CD1 . ILE B 85 ? 0.7851 0.8146 0.7812 0.0066 -0.0197 0.0071 86 ILE B CD1 +5013 N N . ASP B 86 ? 0.9296 0.9739 0.9354 0.0129 -0.0162 0.0049 87 ASP B N +5014 C CA . ASP B 86 ? 0.8500 0.8924 0.8544 0.0115 -0.0129 0.0058 87 ASP B CA +5015 C C . ASP B 86 ? 0.7602 0.8046 0.7678 0.0070 -0.0113 0.0061 87 ASP B C +5016 O O . ASP B 86 ? 0.9912 1.0429 1.0054 0.0057 -0.0105 0.0051 87 ASP B O +5017 C CB . ASP B 86 ? 0.8141 0.8611 0.8211 0.0142 -0.0110 0.0051 87 ASP B CB +5018 C CG . ASP B 86 ? 0.9754 1.0195 0.9798 0.0132 -0.0077 0.0060 87 ASP B CG +5019 O OD1 . ASP B 86 ? 1.0406 1.0788 1.0409 0.0106 -0.0071 0.0073 87 ASP B OD1 +5020 O OD2 . ASP B 86 ? 1.3379 1.3854 1.3442 0.0151 -0.0058 0.0055 87 ASP B OD2 +5021 N N . PRO B 87 ? 0.8456 0.8839 0.8491 0.0043 -0.0108 0.0073 88 PRO B N +5022 C CA . PRO B 87 ? 0.7244 0.7640 0.7306 0.0000 -0.0095 0.0076 88 PRO B CA +5023 C C . PRO B 87 ? 0.8783 0.9195 0.8859 -0.0014 -0.0059 0.0080 88 PRO B C +5024 O O . PRO B 87 ? 0.9418 0.9844 0.9518 -0.0050 -0.0045 0.0082 88 PRO B O +5025 C CB . PRO B 87 ? 0.7208 0.7527 0.7213 -0.0016 -0.0105 0.0089 88 PRO B CB +5026 C CG . PRO B 87 ? 0.8066 0.8327 0.8010 0.0013 -0.0104 0.0096 88 PRO B CG +5027 C CD . PRO B 87 ? 0.6618 0.6916 0.6578 0.0052 -0.0113 0.0085 88 PRO B CD +5028 N N . GLY B 88 ? 0.7359 0.7768 0.7418 0.0012 -0.0043 0.0081 89 GLY B N +5029 C CA . GLY B 88 ? 0.7278 0.7686 0.7334 -0.0001 -0.0009 0.0087 89 GLY B CA +5030 C C . GLY B 88 ? 0.6734 0.7063 0.6728 -0.0019 -0.0001 0.0103 89 GLY B C +5031 O O . GLY B 88 ? 0.7641 0.7912 0.7588 -0.0012 -0.0021 0.0109 89 GLY B O +5032 N N . PHE B 89 ? 0.7194 0.7521 0.7189 -0.0041 0.0028 0.0109 90 PHE B N +5033 C CA . PHE B 89 ? 0.7570 0.7824 0.7505 -0.0056 0.0035 0.0123 90 PHE B CA +5034 C C . PHE B 89 ? 0.8057 0.8282 0.7986 -0.0084 0.0019 0.0128 90 PHE B C +5035 O O . PHE B 89 ? 0.6769 0.6930 0.6645 -0.0086 0.0010 0.0138 90 PHE B O +5036 C CB . PHE B 89 ? 0.7266 0.7520 0.7198 -0.0072 0.0071 0.0130 90 PHE B CB +5037 C CG . PHE B 89 ? 0.6931 0.7112 0.6803 -0.0085 0.0076 0.0144 90 PHE B CG +5038 C CD1 . PHE B 89 ? 0.6993 0.7120 0.6807 -0.0062 0.0074 0.0149 90 PHE B CD1 +5039 C CD2 . PHE B 89 ? 0.6481 0.6644 0.6351 -0.0120 0.0082 0.0151 90 PHE B CD2 +5040 C CE1 . PHE B 89 ? 0.7394 0.7455 0.7154 -0.0074 0.0076 0.0161 90 PHE B CE1 +5041 C CE2 . PHE B 89 ? 0.6978 0.7073 0.6792 -0.0130 0.0084 0.0163 90 PHE B CE2 +5042 C CZ . PHE B 89 ? 0.6363 0.6410 0.6124 -0.0107 0.0081 0.0168 90 PHE B CZ +5043 N N . TRP B 90 ? 0.5678 0.5950 0.5658 -0.0105 0.0014 0.0122 91 TRP B N +5044 C CA . TRP B 90 ? 0.6047 0.6292 0.6021 -0.0135 0.0002 0.0126 91 TRP B CA +5045 C C . TRP B 90 ? 0.6074 0.6303 0.6036 -0.0122 -0.0032 0.0122 91 TRP B C +5046 O O . TRP B 90 ? 0.7070 0.7325 0.7065 -0.0135 -0.0049 0.0115 91 TRP B O +5047 C CB . TRP B 90 ? 0.6292 0.6587 0.6321 -0.0166 0.0014 0.0121 91 TRP B CB +5048 C CG . TRP B 90 ? 0.7512 0.7808 0.7541 -0.0183 0.0050 0.0128 91 TRP B CG +5049 C CD1 . TRP B 90 ? 0.7512 0.7868 0.7587 -0.0187 0.0074 0.0121 91 TRP B CD1 +5050 C CD2 . TRP B 90 ? 0.6385 0.6619 0.6363 -0.0197 0.0065 0.0142 91 TRP B CD2 +5051 N NE1 . TRP B 90 ? 0.7046 0.7378 0.7100 -0.0203 0.0105 0.0131 91 TRP B NE1 +5052 C CE2 . TRP B 90 ? 0.7416 0.7673 0.7409 -0.0209 0.0099 0.0144 91 TRP B CE2 +5053 C CE3 . TRP B 90 ? 0.6384 0.6548 0.6306 -0.0201 0.0054 0.0153 91 TRP B CE3 +5054 C CZ2 . TRP B 90 ? 0.6775 0.6982 0.6725 -0.0224 0.0121 0.0158 91 TRP B CZ2 +5055 C CZ3 . TRP B 90 ? 0.6438 0.6556 0.6320 -0.0215 0.0075 0.0165 91 TRP B CZ3 +5056 C CH2 . TRP B 90 ? 0.7065 0.7203 0.6960 -0.0226 0.0107 0.0168 91 TRP B CH2 +5057 N N . SER B 91 ? 0.6667 0.6848 0.6580 -0.0097 -0.0043 0.0127 92 SER B N +5058 C CA . SER B 91 ? 0.5984 0.6130 0.5869 -0.0088 -0.0072 0.0127 92 SER B CA +5059 C C . SER B 91 ? 0.6236 0.6326 0.6085 -0.0112 -0.0073 0.0138 92 SER B C +5060 O O . SER B 91 ? 0.6201 0.6275 0.6042 -0.0133 -0.0054 0.0145 92 SER B O +5061 C CB . SER B 91 ? 0.5444 0.5562 0.5290 -0.0052 -0.0079 0.0127 92 SER B CB +5062 O OG . SER B 91 ? 0.6244 0.6310 0.6044 -0.0053 -0.0064 0.0138 92 SER B OG +5063 N N . PHE B 92 ? 0.7967 0.8023 0.7791 -0.0109 -0.0097 0.0138 93 PHE B N +5064 C CA . PHE B 92 ? 0.5933 0.5933 0.5719 -0.0127 -0.0099 0.0148 93 PHE B CA +5065 C C . PHE B 92 ? 0.6944 0.6899 0.6686 -0.0122 -0.0083 0.0158 93 PHE B C +5066 O O . PHE B 92 ? 0.5867 0.5793 0.5592 -0.0143 -0.0073 0.0166 93 PHE B O +5067 C CB . PHE B 92 ? 0.5948 0.5917 0.5709 -0.0118 -0.0125 0.0147 93 PHE B CB +5068 C CG . PHE B 92 ? 0.6120 0.6125 0.5916 -0.0124 -0.0143 0.0138 93 PHE B CG +5069 C CD1 . PHE B 92 ? 0.7311 0.7329 0.7133 -0.0154 -0.0141 0.0137 93 PHE B CD1 +5070 C CD2 . PHE B 92 ? 0.7521 0.7545 0.7325 -0.0099 -0.0162 0.0130 93 PHE B CD2 +5071 C CE1 . PHE B 92 ? 0.7092 0.7142 0.6946 -0.0160 -0.0159 0.0127 93 PHE B CE1 +5072 C CE2 . PHE B 92 ? 0.6620 0.6678 0.6456 -0.0104 -0.0181 0.0120 93 PHE B CE2 +5073 C CZ . PHE B 92 ? 0.7138 0.7210 0.6999 -0.0135 -0.0179 0.0119 93 PHE B CZ +5074 N N . GLU B 93 ? 0.5771 0.5720 0.5494 -0.0094 -0.0082 0.0156 94 GLU B N +5075 C CA . GLU B 93 ? 0.6787 0.6694 0.6467 -0.0088 -0.0068 0.0164 94 GLU B CA +5076 C C . GLU B 93 ? 0.6571 0.6496 0.6264 -0.0100 -0.0041 0.0167 94 GLU B C +5077 O O . GLU B 93 ? 0.6494 0.6382 0.6156 -0.0111 -0.0029 0.0176 94 GLU B O +5078 C CB . GLU B 93 ? 0.6561 0.6456 0.6217 -0.0055 -0.0073 0.0161 94 GLU B CB +5079 C CG . GLU B 93 ? 0.6644 0.6513 0.6278 -0.0039 -0.0098 0.0158 94 GLU B CG +5080 C CD . GLU B 93 ? 0.6970 0.6884 0.6640 -0.0028 -0.0113 0.0149 94 GLU B CD +5081 O OE1 . GLU B 93 ? 0.7203 0.7175 0.6921 -0.0027 -0.0105 0.0142 94 GLU B OE1 +5082 O OE2 . GLU B 93 ? 0.7380 0.7273 0.7033 -0.0018 -0.0134 0.0148 94 GLU B OE2 +5083 N N . GLY B 94 ? 0.6856 0.6840 0.6596 -0.0098 -0.0030 0.0160 95 GLY B N +5084 C CA . GLY B 94 ? 0.5968 0.5972 0.5723 -0.0111 -0.0002 0.0163 95 GLY B CA +5085 C C . GLY B 94 ? 0.5949 0.5942 0.5708 -0.0145 0.0006 0.0169 95 GLY B C +5086 O O . GLY B 94 ? 0.6170 0.6144 0.5911 -0.0157 0.0027 0.0177 95 GLY B O +5087 N N . VAL B 95 ? 0.6428 0.6429 0.6208 -0.0161 -0.0011 0.0167 96 VAL B N +5088 C CA . VAL B 95 ? 0.6996 0.6979 0.6775 -0.0192 -0.0006 0.0173 96 VAL B CA +5089 C C . VAL B 95 ? 0.6793 0.6709 0.6516 -0.0195 -0.0008 0.0184 96 VAL B C +5090 O O . VAL B 95 ? 0.6589 0.6482 0.6296 -0.0213 0.0008 0.0192 96 VAL B O +5091 C CB . VAL B 95 ? 0.6459 0.6464 0.6271 -0.0207 -0.0025 0.0166 96 VAL B CB +5092 C CG1 . VAL B 95 ? 0.6107 0.6082 0.5909 -0.0237 -0.0022 0.0173 96 VAL B CG1 +5093 C CG2 . VAL B 95 ? 0.6165 0.6241 0.6037 -0.0208 -0.0021 0.0155 96 VAL B CG2 +5094 N N . ALA B 96 ? 0.6677 0.6561 0.6370 -0.0178 -0.0028 0.0184 97 ALA B N +5095 C CA . ALA B 96 ? 0.6624 0.6449 0.6267 -0.0180 -0.0031 0.0193 97 ALA B CA +5096 C C . ALA B 96 ? 0.6878 0.6682 0.6491 -0.0173 -0.0011 0.0199 97 ALA B C +5097 O O . ALA B 96 ? 0.6456 0.6226 0.6043 -0.0187 -0.0002 0.0207 97 ALA B O +5098 C CB . ALA B 96 ? 0.6770 0.6567 0.6388 -0.0163 -0.0053 0.0190 97 ALA B CB +5099 N N . LEU B 97 ? 0.6114 0.5937 0.5729 -0.0152 -0.0004 0.0194 98 LEU B N +5100 C CA . LEU B 97 ? 0.6964 0.6769 0.6551 -0.0143 0.0016 0.0199 98 LEU B CA +5101 C C . LEU B 97 ? 0.7277 0.7092 0.6874 -0.0165 0.0040 0.0205 98 LEU B C +5102 O O . LEU B 97 ? 0.6319 0.6095 0.5878 -0.0171 0.0050 0.0213 98 LEU B O +5103 C CB . LEU B 97 ? 0.6834 0.6664 0.6427 -0.0116 0.0021 0.0192 98 LEU B CB +5104 C CG . LEU B 97 ? 0.9424 0.9244 0.8992 -0.0105 0.0043 0.0195 98 LEU B CG +5105 C CD1 . LEU B 97 ? 0.7341 0.7098 0.6851 -0.0103 0.0040 0.0202 98 LEU B CD1 +5106 C CD2 . LEU B 97 ? 0.8891 0.8739 0.8469 -0.0076 0.0046 0.0186 98 LEU B CD2 +5107 N N . ALA B 98 ? 0.6024 0.5889 0.5670 -0.0178 0.0049 0.0200 99 ALA B N +5108 C CA . ALA B 98 ? 0.6739 0.6613 0.6396 -0.0201 0.0073 0.0205 99 ALA B CA +5109 C C . ALA B 98 ? 0.6362 0.6189 0.5990 -0.0222 0.0071 0.0215 99 ALA B C +5110 O O . ALA B 98 ? 0.6380 0.6183 0.5984 -0.0233 0.0090 0.0223 99 ALA B O +5111 C CB . ALA B 98 ? 0.6048 0.5986 0.5768 -0.0214 0.0080 0.0197 99 ALA B CB +5112 N N . HIS B 99 ? 0.6040 0.5852 0.5668 -0.0228 0.0047 0.0214 100 HIS B N +5113 C CA . HIS B 99 ? 0.5717 0.5484 0.5318 -0.0246 0.0044 0.0222 100 HIS B CA +5114 C C . HIS B 99 ? 0.6809 0.6523 0.6354 -0.0235 0.0042 0.0230 100 HIS B C +5115 O O . HIS B 99 ? 0.6411 0.6090 0.5929 -0.0247 0.0050 0.0238 100 HIS B O +5116 C CB . HIS B 99 ? 0.5542 0.5308 0.5157 -0.0255 0.0020 0.0218 100 HIS B CB +5117 C CG . HIS B 99 ? 0.6317 0.6121 0.5979 -0.0276 0.0022 0.0213 100 HIS B CG +5118 N ND1 . HIS B 99 ? 0.6034 0.5894 0.5743 -0.0272 0.0021 0.0203 100 HIS B ND1 +5119 C CD2 . HIS B 99 ? 0.6054 0.5848 0.5723 -0.0301 0.0026 0.0217 100 HIS B CD2 +5120 C CE1 . HIS B 99 ? 0.6324 0.6208 0.6068 -0.0295 0.0022 0.0200 100 HIS B CE1 +5121 N NE2 . HIS B 99 ? 0.6352 0.6196 0.6072 -0.0314 0.0026 0.0208 100 HIS B NE2 +5122 N N . ILE B 100 ? 0.6406 0.6111 0.5933 -0.0211 0.0032 0.0226 101 ILE B N +5123 C CA . ILE B 100 ? 0.6713 0.6371 0.6188 -0.0200 0.0030 0.0232 101 ILE B CA +5124 C C . ILE B 100 ? 0.7163 0.6812 0.6617 -0.0199 0.0055 0.0237 101 ILE B C +5125 O O . ILE B 100 ? 0.7215 0.6824 0.6630 -0.0203 0.0059 0.0245 101 ILE B O +5126 C CB . ILE B 100 ? 0.6457 0.6108 0.5919 -0.0176 0.0014 0.0226 101 ILE B CB +5127 C CG1 . ILE B 100 ? 0.6672 0.6322 0.6146 -0.0178 -0.0010 0.0221 101 ILE B CG1 +5128 C CG2 . ILE B 100 ? 0.5704 0.5311 0.5115 -0.0164 0.0016 0.0229 101 ILE B CG2 +5129 C CD1 . ILE B 100 ? 0.7416 0.7029 0.6869 -0.0191 -0.0021 0.0227 101 ILE B CD1 +5130 N N . VAL B 101 ? 0.6174 0.5861 0.5651 -0.0191 0.0072 0.0233 102 VAL B N +5131 C CA . VAL B 101 ? 0.6429 0.6112 0.5888 -0.0191 0.0098 0.0238 102 VAL B CA +5132 C C . VAL B 101 ? 0.7074 0.6746 0.6531 -0.0216 0.0114 0.0246 102 VAL B C +5133 O O . VAL B 101 ? 0.6203 0.5837 0.5618 -0.0218 0.0126 0.0255 102 VAL B O +5134 C CB . VAL B 101 ? 0.7452 0.7185 0.6944 -0.0179 0.0115 0.0230 102 VAL B CB +5135 C CG1 . VAL B 101 ? 0.6970 0.6700 0.6444 -0.0181 0.0146 0.0236 102 VAL B CG1 +5136 C CG2 . VAL B 101 ? 0.6649 0.6384 0.6133 -0.0151 0.0100 0.0223 102 VAL B CG2 +5137 N N . LEU B 102 ? 0.5997 0.5700 0.5498 -0.0236 0.0114 0.0244 103 LEU B N +5138 C CA . LEU B 102 ? 0.7306 0.6993 0.6802 -0.0262 0.0128 0.0252 103 LEU B CA +5139 C C . LEU B 102 ? 0.6828 0.6455 0.6277 -0.0265 0.0115 0.0261 103 LEU B C +5140 O O . LEU B 102 ? 0.7290 0.6883 0.6705 -0.0274 0.0130 0.0270 103 LEU B O +5141 C CB . LEU B 102 ? 0.6175 0.5900 0.5724 -0.0283 0.0124 0.0247 103 LEU B CB +5142 C CG . LEU B 102 ? 0.6943 0.6650 0.6491 -0.0312 0.0136 0.0254 103 LEU B CG +5143 C CD1 . LEU B 102 ? 0.8225 0.7934 0.7765 -0.0321 0.0170 0.0260 103 LEU B CD1 +5144 C CD2 . LEU B 102 ? 0.5909 0.5654 0.5509 -0.0330 0.0128 0.0247 103 LEU B CD2 +5145 N N . SER B 103 ? 0.6405 0.6017 0.5847 -0.0256 0.0088 0.0258 104 SER B N +5146 C CA . SER B 103 ? 0.6674 0.6235 0.6075 -0.0257 0.0074 0.0264 104 SER B CA +5147 C C . SER B 103 ? 0.5852 0.5374 0.5200 -0.0245 0.0084 0.0270 104 SER B C +5148 O O . SER B 103 ? 0.6256 0.5738 0.5569 -0.0252 0.0087 0.0279 104 SER B O +5149 C CB . SER B 103 ? 0.6333 0.5889 0.5737 -0.0247 0.0046 0.0258 104 SER B CB +5150 O OG . SER B 103 ? 0.6986 0.6496 0.6352 -0.0246 0.0033 0.0263 104 SER B OG +5151 N N . GLY B 104 ? 0.5976 0.5507 0.5316 -0.0226 0.0088 0.0266 105 GLY B N +5152 C CA . GLY B 104 ? 0.6492 0.5986 0.5780 -0.0213 0.0095 0.0271 105 GLY B CA +5153 C C . GLY B 104 ? 0.7261 0.6747 0.6532 -0.0221 0.0124 0.0279 105 GLY B C +5154 O O . GLY B 104 ? 0.6213 0.5655 0.5436 -0.0219 0.0127 0.0287 105 GLY B O +5155 N N . LEU B 105 ? 0.6843 0.6371 0.6153 -0.0232 0.0144 0.0277 106 LEU B N +5156 C CA . LEU B 105 ? 0.6709 0.6231 0.6007 -0.0244 0.0175 0.0285 106 LEU B CA +5157 C C . LEU B 105 ? 0.6626 0.6111 0.5903 -0.0264 0.0175 0.0295 106 LEU B C +5158 O O . LEU B 105 ? 0.7131 0.6578 0.6364 -0.0267 0.0191 0.0305 106 LEU B O +5159 C CB . LEU B 105 ? 0.6667 0.6248 0.6019 -0.0254 0.0196 0.0280 106 LEU B CB +5160 C CG . LEU B 105 ? 0.8418 0.8037 0.7788 -0.0232 0.0201 0.0271 106 LEU B CG +5161 C CD1 . LEU B 105 ? 0.7884 0.7566 0.7314 -0.0242 0.0221 0.0264 106 LEU B CD1 +5162 C CD2 . LEU B 105 ? 0.7460 0.7046 0.6777 -0.0216 0.0216 0.0275 106 LEU B CD2 +5163 N N . LEU B 106 ? 0.6969 0.6462 0.6275 -0.0278 0.0158 0.0293 107 LEU B N +5164 C CA . LEU B 106 ? 0.6171 0.5628 0.5459 -0.0296 0.0158 0.0301 107 LEU B CA +5165 C C . LEU B 106 ? 0.6707 0.6107 0.5937 -0.0284 0.0142 0.0308 107 LEU B C +5166 O O . LEU B 106 ? 0.7551 0.6910 0.6746 -0.0292 0.0149 0.0317 107 LEU B O +5167 C CB . LEU B 106 ? 0.6173 0.5652 0.5505 -0.0311 0.0141 0.0296 107 LEU B CB +5168 C CG . LEU B 106 ? 0.6941 0.6478 0.6333 -0.0326 0.0154 0.0289 107 LEU B CG +5169 C CD1 . LEU B 106 ? 0.7035 0.6590 0.6465 -0.0337 0.0132 0.0282 107 LEU B CD1 +5170 C CD2 . LEU B 106 ? 0.7032 0.6565 0.6423 -0.0349 0.0185 0.0297 107 LEU B CD2 +5171 N N . PHE B 107 ? 0.7086 0.6484 0.6308 -0.0264 0.0120 0.0302 108 PHE B N +5172 C CA . PHE B 107 ? 0.6414 0.5763 0.5585 -0.0251 0.0104 0.0305 108 PHE B CA +5173 C C . PHE B 107 ? 0.6454 0.5771 0.5574 -0.0243 0.0123 0.0313 108 PHE B C +5174 O O . PHE B 107 ? 0.7483 0.6754 0.6558 -0.0242 0.0121 0.0321 108 PHE B O +5175 C CB . PHE B 107 ? 0.6310 0.5668 0.5485 -0.0232 0.0080 0.0296 108 PHE B CB +5176 C CG . PHE B 107 ? 0.6513 0.5827 0.5639 -0.0218 0.0064 0.0298 108 PHE B CG +5177 C CD1 . PHE B 107 ? 0.6600 0.5896 0.5688 -0.0203 0.0070 0.0298 108 PHE B CD1 +5178 C CD2 . PHE B 107 ? 0.8569 0.7863 0.7690 -0.0220 0.0041 0.0298 108 PHE B CD2 +5179 C CE1 . PHE B 107 ? 0.7855 0.7112 0.6899 -0.0190 0.0053 0.0298 108 PHE B CE1 +5180 C CE2 . PHE B 107 ? 0.7281 0.6539 0.6361 -0.0208 0.0025 0.0298 108 PHE B CE2 +5181 C CZ . PHE B 107 ? 0.7583 0.6823 0.6625 -0.0193 0.0030 0.0298 108 PHE B CZ +5182 N N . LEU B 108 ? 0.6509 0.5850 0.5635 -0.0236 0.0142 0.0310 109 LEU B N +5183 C CA . LEU B 108 ? 0.6409 0.5720 0.5485 -0.0228 0.0163 0.0317 109 LEU B CA +5184 C C . LEU B 108 ? 0.8019 0.7310 0.7080 -0.0248 0.0187 0.0328 109 LEU B C +5185 O O . LEU B 108 ? 0.7099 0.6340 0.6103 -0.0244 0.0191 0.0338 109 LEU B O +5186 C CB . LEU B 108 ? 0.7754 0.7099 0.6844 -0.0217 0.0180 0.0311 109 LEU B CB +5187 C CG . LEU B 108 ? 0.8507 0.7859 0.7595 -0.0194 0.0160 0.0301 109 LEU B CG +5188 C CD1 . LEU B 108 ? 0.6942 0.6326 0.6043 -0.0182 0.0179 0.0295 109 LEU B CD1 +5189 C CD2 . LEU B 108 ? 0.8681 0.7981 0.7710 -0.0180 0.0142 0.0303 109 LEU B CD2 +5190 N N . ALA B 109 ? 0.6626 0.5952 0.5735 -0.0268 0.0201 0.0328 110 ALA B N +5191 C CA . ALA B 109 ? 0.7131 0.6435 0.6227 -0.0290 0.0223 0.0338 110 ALA B CA +5192 C C . ALA B 109 ? 0.7282 0.6533 0.6341 -0.0294 0.0206 0.0346 110 ALA B C +5193 O O . ALA B 109 ? 0.6915 0.6120 0.5926 -0.0299 0.0220 0.0358 110 ALA B O +5194 C CB . ALA B 109 ? 0.6811 0.6166 0.5972 -0.0313 0.0235 0.0334 110 ALA B CB +5195 N N . ALA B 110 ? 0.6161 0.5416 0.5239 -0.0290 0.0175 0.0341 111 ALA B N +5196 C CA . ALA B 110 ? 0.6144 0.5352 0.5188 -0.0291 0.0157 0.0347 111 ALA B CA +5197 C C . ALA B 110 ? 0.6639 0.5795 0.5615 -0.0272 0.0152 0.0353 111 ALA B C +5198 O O . ALA B 110 ? 0.6770 0.5878 0.5705 -0.0275 0.0153 0.0363 111 ALA B O +5199 C CB . ALA B 110 ? 0.6598 0.5823 0.5675 -0.0287 0.0125 0.0338 111 ALA B CB +5200 N N . CYS B 111 ? 0.6391 0.5555 0.5355 -0.0252 0.0147 0.0348 112 CYS B N +5201 C CA . CYS B 111 ? 0.7197 0.6313 0.6096 -0.0234 0.0140 0.0352 112 CYS B CA +5202 C C . CYS B 111 ? 0.8195 0.7277 0.7048 -0.0239 0.0170 0.0364 112 CYS B C +5203 O O . CYS B 111 ? 0.7175 0.6204 0.5972 -0.0234 0.0167 0.0373 112 CYS B O +5204 C CB . CYS B 111 ? 0.6747 0.5878 0.5642 -0.0214 0.0130 0.0343 112 CYS B CB +5205 S SG . CYS B 111 ? 0.7345 0.6505 0.6280 -0.0205 0.0094 0.0329 112 CYS B SG +5206 N N . TRP B 112 ? 0.6036 0.5148 0.4911 -0.0249 0.0201 0.0364 113 TRP B N +5207 C CA . TRP B 112 ? 0.7022 0.6105 0.5856 -0.0256 0.0233 0.0376 113 TRP B CA +5208 C C . TRP B 112 ? 0.8298 0.7343 0.7114 -0.0274 0.0239 0.0387 113 TRP B C +5209 O O . TRP B 112 ? 0.7122 0.6110 0.5874 -0.0271 0.0248 0.0398 113 TRP B O +5210 C CB . TRP B 112 ? 0.7336 0.6468 0.6212 -0.0266 0.0265 0.0372 113 TRP B CB +5211 C CG . TRP B 112 ? 0.7822 0.6925 0.6652 -0.0270 0.0300 0.0383 113 TRP B CG +5212 C CD1 . TRP B 112 ? 0.7824 0.6912 0.6611 -0.0252 0.0313 0.0383 113 TRP B CD1 +5213 C CD2 . TRP B 112 ? 0.6905 0.5985 0.5722 -0.0294 0.0328 0.0394 113 TRP B CD2 +5214 N NE1 . TRP B 112 ? 0.7332 0.6391 0.6081 -0.0263 0.0348 0.0395 113 TRP B NE1 +5215 C CE2 . TRP B 112 ? 0.8209 0.7263 0.6975 -0.0289 0.0359 0.0402 113 TRP B CE2 +5216 C CE3 . TRP B 112 ? 0.6596 0.5676 0.5439 -0.0319 0.0332 0.0399 113 TRP B CE3 +5217 C CZ2 . TRP B 112 ? 0.7542 0.6568 0.6283 -0.0309 0.0393 0.0414 113 TRP B CZ2 +5218 C CZ3 . TRP B 112 ? 0.7160 0.6212 0.5978 -0.0340 0.0366 0.0411 113 TRP B CZ3 +5219 C CH2 . TRP B 112 ? 0.7937 0.6962 0.6705 -0.0335 0.0396 0.0419 113 TRP B CH2 +5220 N N . HIS B 113 ? 0.6638 0.5710 0.5506 -0.0293 0.0234 0.0384 114 HIS B N +5221 C CA . HIS B 113 ? 0.7094 0.6128 0.5945 -0.0312 0.0241 0.0395 114 HIS B CA +5222 C C . HIS B 113 ? 0.7246 0.6228 0.6052 -0.0298 0.0212 0.0399 114 HIS B C +5223 O O . HIS B 113 ? 0.7194 0.6124 0.5958 -0.0305 0.0220 0.0411 114 HIS B O +5224 C CB . HIS B 113 ? 0.6152 0.5229 0.5071 -0.0336 0.0244 0.0389 114 HIS B CB +5225 C CG . HIS B 113 ? 0.7642 0.6750 0.6590 -0.0358 0.0281 0.0390 114 HIS B CG +5226 N ND1 . HIS B 113 ? 0.7068 0.6140 0.5984 -0.0377 0.0310 0.0403 114 HIS B ND1 +5227 C CD2 . HIS B 113 ? 0.6595 0.5767 0.5601 -0.0364 0.0293 0.0381 114 HIS B CD2 +5228 C CE1 . HIS B 113 ? 0.8094 0.7209 0.7051 -0.0395 0.0340 0.0400 114 HIS B CE1 +5229 N NE2 . HIS B 113 ? 0.7255 0.6433 0.6268 -0.0387 0.0330 0.0386 114 HIS B NE2 +5230 N N . TRP B 114 ? 0.7537 0.6528 0.6347 -0.0277 0.0181 0.0390 115 TRP B N +5231 C CA . TRP B 114 ? 0.6935 0.5879 0.5701 -0.0262 0.0153 0.0393 115 TRP B CA +5232 C C . TRP B 114 ? 0.7743 0.6633 0.6433 -0.0246 0.0159 0.0402 115 TRP B C +5233 O O . TRP B 114 ? 0.7493 0.6330 0.6134 -0.0241 0.0152 0.0411 115 TRP B O +5234 C CB . TRP B 114 ? 0.6985 0.5957 0.5779 -0.0247 0.0120 0.0381 115 TRP B CB +5235 C CG . TRP B 114 ? 0.7090 0.6024 0.5851 -0.0232 0.0090 0.0382 115 TRP B CG +5236 C CD1 . TRP B 114 ? 0.6663 0.5568 0.5377 -0.0209 0.0074 0.0381 115 TRP B CD1 +5237 C CD2 . TRP B 114 ? 0.6189 0.5111 0.4962 -0.0237 0.0074 0.0383 115 TRP B CD2 +5238 N NE1 . TRP B 114 ? 0.7105 0.5984 0.5803 -0.0201 0.0047 0.0381 115 TRP B NE1 +5239 C CE2 . TRP B 114 ? 0.7469 0.6358 0.6202 -0.0217 0.0047 0.0382 115 TRP B CE2 +5240 C CE3 . TRP B 114 ? 0.6558 0.5495 0.5371 -0.0257 0.0078 0.0383 115 TRP B CE3 +5241 C CZ2 . TRP B 114 ? 0.7220 0.6091 0.5954 -0.0214 0.0026 0.0382 115 TRP B CZ2 +5242 C CZ3 . TRP B 114 ? 0.6579 0.5494 0.5389 -0.0255 0.0057 0.0383 115 TRP B CZ3 +5243 C CH2 . TRP B 114 ? 0.7085 0.5969 0.5857 -0.0233 0.0032 0.0383 115 TRP B CH2 +5244 N N . VAL B 115 ? 0.6854 0.5757 0.5532 -0.0235 0.0171 0.0400 116 VAL B N +5245 C CA . VAL B 115 ? 0.7194 0.6046 0.5797 -0.0219 0.0176 0.0407 116 VAL B CA +5246 C C . VAL B 115 ? 0.8169 0.6983 0.6733 -0.0233 0.0211 0.0422 116 VAL B C +5247 O O . VAL B 115 ? 0.7403 0.6157 0.5902 -0.0226 0.0210 0.0432 116 VAL B O +5248 C CB . VAL B 115 ? 0.8360 0.7237 0.6963 -0.0203 0.0177 0.0398 116 VAL B CB +5249 C CG1 . VAL B 115 ? 0.7948 0.6773 0.6471 -0.0187 0.0187 0.0406 116 VAL B CG1 +5250 C CG2 . VAL B 115 ? 0.6918 0.5821 0.5550 -0.0189 0.0140 0.0384 116 VAL B CG2 +5251 N N . TYR B 116 ? 0.7715 0.6564 0.6317 -0.0253 0.0242 0.0422 117 TYR B N +5252 C CA . TYR B 116 ? 0.6617 0.5435 0.5187 -0.0270 0.0280 0.0436 117 TYR B CA +5253 C C . TYR B 116 ? 0.7792 0.6602 0.6385 -0.0295 0.0285 0.0441 117 TYR B C +5254 O O . TYR B 116 ? 0.7526 0.6365 0.6160 -0.0320 0.0312 0.0442 117 TYR B O +5255 C CB . TYR B 116 ? 0.9280 0.8140 0.7876 -0.0278 0.0313 0.0432 117 TYR B CB +5256 C CG . TYR B 116 ? 0.7538 0.6396 0.6101 -0.0253 0.0311 0.0428 117 TYR B CG +5257 C CD1 . TYR B 116 ? 0.8342 0.7137 0.6820 -0.0238 0.0317 0.0438 117 TYR B CD1 +5258 C CD2 . TYR B 116 ? 0.8180 0.7094 0.6790 -0.0243 0.0301 0.0413 117 TYR B CD2 +5259 C CE1 . TYR B 116 ? 0.8363 0.7154 0.6808 -0.0214 0.0313 0.0432 117 TYR B CE1 +5260 C CE2 . TYR B 116 ? 0.6864 0.5773 0.5442 -0.0220 0.0298 0.0409 117 TYR B CE2 +5261 C CZ . TYR B 116 ? 0.9188 0.8035 0.7683 -0.0206 0.0304 0.0418 117 TYR B CZ +5262 O OH . TYR B 116 ? 1.0261 0.9101 0.8721 -0.0183 0.0301 0.0412 117 TYR B OH +5263 N N . TRP B 117 ? 0.6772 0.5541 0.5337 -0.0287 0.0259 0.0445 118 TRP B N +5264 C CA . TRP B 117 ? 0.7352 0.6109 0.5936 -0.0307 0.0258 0.0449 118 TRP B CA +5265 C C . TRP B 117 ? 0.7318 0.6019 0.5852 -0.0324 0.0290 0.0465 118 TRP B C +5266 O O . TRP B 117 ? 0.7517 0.6219 0.6077 -0.0350 0.0304 0.0468 118 TRP B O +5267 C CB . TRP B 117 ? 0.6657 0.5391 0.5230 -0.0291 0.0218 0.0447 118 TRP B CB +5268 C CG . TRP B 117 ? 0.7087 0.5757 0.5580 -0.0267 0.0206 0.0455 118 TRP B CG +5269 C CD1 . TRP B 117 ? 0.7605 0.6274 0.6072 -0.0240 0.0187 0.0449 118 TRP B CD1 +5270 C CD2 . TRP B 117 ? 0.7755 0.6352 0.6180 -0.0267 0.0214 0.0470 118 TRP B CD2 +5271 N NE1 . TRP B 117 ? 0.8810 0.7411 0.7198 -0.0223 0.0179 0.0460 118 TRP B NE1 +5272 C CE2 . TRP B 117 ? 0.7467 0.6023 0.5827 -0.0238 0.0196 0.0473 118 TRP B CE2 +5273 C CE3 . TRP B 117 ? 0.7391 0.5951 0.5802 -0.0288 0.0233 0.0481 118 TRP B CE3 +5274 C CZ2 . TRP B 117 ? 0.8717 0.7196 0.6998 -0.0228 0.0196 0.0487 118 TRP B CZ2 +5275 C CZ3 . TRP B 117 ? 0.9155 0.7636 0.7487 -0.0279 0.0235 0.0495 118 TRP B CZ3 +5276 C CH2 . TRP B 117 ? 0.8644 0.7085 0.6910 -0.0248 0.0216 0.0498 118 TRP B CH2 +5277 N N . ASP B 118 ? 0.7980 0.6630 0.6441 -0.0311 0.0303 0.0476 119 ASP B N +5278 C CA . ASP B 118 ? 0.8226 0.6809 0.6625 -0.0323 0.0330 0.0492 119 ASP B CA +5279 C C . ASP B 118 ? 0.8939 0.7541 0.7348 -0.0346 0.0377 0.0497 119 ASP B C +5280 O O . ASP B 118 ? 0.8703 0.7273 0.7056 -0.0339 0.0400 0.0505 119 ASP B O +5281 C CB . ASP B 118 ? 0.8321 0.6833 0.6628 -0.0295 0.0317 0.0502 119 ASP B CB +5282 C CG . ASP B 118 ? 1.2061 1.0491 1.0299 -0.0304 0.0335 0.0520 119 ASP B CG +5283 O OD1 . ASP B 118 ? 0.9846 0.8273 0.8109 -0.0330 0.0347 0.0524 119 ASP B OD1 +5284 O OD2 . ASP B 118 ? 1.2863 1.1232 1.1018 -0.0286 0.0336 0.0531 119 ASP B OD2 +5285 N N . LEU B 119 ? 0.8082 0.6740 0.6566 -0.0373 0.0391 0.0490 120 LEU B N +5286 C CA . LEU B 119 ? 0.8500 0.7185 0.7007 -0.0398 0.0435 0.0492 120 LEU B CA +5287 C C . LEU B 119 ? 0.9298 0.7931 0.7774 -0.0427 0.0465 0.0506 120 LEU B C +5288 O O . LEU B 119 ? 0.8002 0.6613 0.6485 -0.0438 0.0450 0.0508 120 LEU B O +5289 C CB . LEU B 119 ? 0.7298 0.6074 0.5903 -0.0412 0.0436 0.0476 120 LEU B CB +5290 C CG . LEU B 119 ? 0.8069 0.6902 0.6711 -0.0388 0.0413 0.0461 120 LEU B CG +5291 C CD1 . LEU B 119 ? 0.7230 0.6151 0.5968 -0.0404 0.0418 0.0447 120 LEU B CD1 +5292 C CD2 . LEU B 119 ? 0.8208 0.7027 0.6801 -0.0367 0.0427 0.0464 120 LEU B CD2 +5293 N N . GLU B 120 ? 0.8777 0.7390 0.7218 -0.0438 0.0506 0.0515 121 GLU B N +5294 C CA . GLU B 120 ? 0.8816 0.7373 0.7219 -0.0466 0.0539 0.0530 121 GLU B CA +5295 C C . GLU B 120 ? 0.8438 0.7036 0.6916 -0.0502 0.0548 0.0524 121 GLU B C +5296 O O . GLU B 120 ? 0.8399 0.6946 0.6853 -0.0521 0.0554 0.0533 121 GLU B O +5297 C CB . GLU B 120 ? 1.0131 0.8675 0.8496 -0.0474 0.0586 0.0539 121 GLU B CB +5298 C CG . GLU B 120 ? 1.0615 0.9123 0.8964 -0.0511 0.0629 0.0551 121 GLU B CG +5299 C CD . GLU B 120 ? 1.4497 1.2902 1.2756 -0.0507 0.0624 0.0569 121 GLU B CD +5300 O OE1 . GLU B 120 ? 1.3039 1.1398 1.1234 -0.0472 0.0597 0.0573 121 GLU B OE1 +5301 O OE2 . GLU B 120 ? 1.6344 1.4714 1.4597 -0.0538 0.0645 0.0577 121 GLU B OE2 +5302 N N . LEU B 121 ? 0.8465 0.7153 0.7032 -0.0510 0.0546 0.0508 122 LEU B N +5303 C CA . LEU B 121 ? 0.8278 0.7014 0.6923 -0.0542 0.0548 0.0499 122 LEU B CA +5304 C C . LEU B 121 ? 0.7793 0.6497 0.6436 -0.0543 0.0516 0.0499 122 LEU B C +5305 O O . LEU B 121 ? 0.8323 0.7030 0.6999 -0.0574 0.0525 0.0498 122 LEU B O +5306 C CB . LEU B 121 ? 0.8301 0.7138 0.7036 -0.0538 0.0538 0.0480 122 LEU B CB +5307 C CG . LEU B 121 ? 0.8620 0.7517 0.7441 -0.0568 0.0538 0.0468 122 LEU B CG +5308 C CD1 . LEU B 121 ? 0.7904 0.6800 0.6737 -0.0608 0.0584 0.0473 122 LEU B CD1 +5309 C CD2 . LEU B 121 ? 0.7217 0.6206 0.6117 -0.0556 0.0522 0.0450 122 LEU B CD2 +5310 N N . PHE B 122 ? 0.7834 0.6507 0.6441 -0.0510 0.0478 0.0499 123 PHE B N +5311 C CA . PHE B 122 ? 0.8612 0.7259 0.7221 -0.0510 0.0446 0.0498 123 PHE B CA +5312 C C . PHE B 122 ? 0.8409 0.6958 0.6936 -0.0513 0.0454 0.0515 123 PHE B C +5313 O O . PHE B 122 ? 0.8941 0.7461 0.7463 -0.0513 0.0431 0.0515 123 PHE B O +5314 C CB . PHE B 122 ? 0.8393 0.7059 0.7010 -0.0475 0.0401 0.0489 123 PHE B CB +5315 C CG . PHE B 122 ? 0.8203 0.6958 0.6894 -0.0468 0.0392 0.0472 123 PHE B CG +5316 C CD1 . PHE B 122 ? 0.7430 0.6252 0.6200 -0.0494 0.0404 0.0461 123 PHE B CD1 +5317 C CD2 . PHE B 122 ? 0.7197 0.5967 0.5876 -0.0436 0.0371 0.0467 123 PHE B CD2 +5318 C CE1 . PHE B 122 ? 0.7641 0.6542 0.6476 -0.0486 0.0395 0.0447 123 PHE B CE1 +5319 C CE2 . PHE B 122 ? 0.8266 0.7112 0.7008 -0.0429 0.0363 0.0453 123 PHE B CE2 +5320 C CZ . PHE B 122 ? 0.7522 0.6433 0.6341 -0.0453 0.0375 0.0443 123 PHE B CZ +5321 N N . ARG B 123 ? 0.8837 0.7334 0.7298 -0.0516 0.0486 0.0530 124 ARG B N +5322 C CA . ARG B 123 ? 0.8892 0.7290 0.7266 -0.0517 0.0495 0.0548 124 ARG B CA +5323 C C . ARG B 123 ? 0.8122 0.6501 0.6503 -0.0561 0.0534 0.0554 124 ARG B C +5324 O O . ARG B 123 ? 0.9053 0.7477 0.7473 -0.0585 0.0569 0.0552 124 ARG B O +5325 C CB . ARG B 123 ? 0.8379 0.6723 0.6667 -0.0494 0.0507 0.0561 124 ARG B CB +5326 C CG . ARG B 123 ? 1.0296 0.8656 0.8572 -0.0452 0.0470 0.0554 124 ARG B CG +5327 C CD . ARG B 123 ? 1.0252 0.8576 0.8506 -0.0430 0.0427 0.0553 124 ARG B CD +5328 N NE . ARG B 123 ? 1.2172 1.0500 1.0402 -0.0391 0.0394 0.0548 124 ARG B NE +5329 C CZ . ARG B 123 ? 1.1833 1.0098 0.9995 -0.0362 0.0368 0.0555 124 ARG B CZ +5330 N NH1 . ARG B 123 ? 1.2033 1.0220 1.0135 -0.0366 0.0373 0.0569 124 ARG B NH1 +5331 N NH2 . ARG B 123 ? 1.2261 1.0542 1.0415 -0.0329 0.0336 0.0548 124 ARG B NH2 +5332 N N . ASP B 124 ? 0.8685 0.6998 0.7029 -0.0570 0.0529 0.0563 125 ASP B N +5333 C CA . ASP B 124 ? 0.8177 0.6452 0.6510 -0.0611 0.0567 0.0572 125 ASP B CA +5334 C C . ASP B 124 ? 0.8559 0.6781 0.6819 -0.0615 0.0609 0.0589 125 ASP B C +5335 O O . ASP B 124 ? 0.8305 0.6459 0.6479 -0.0586 0.0600 0.0601 125 ASP B O +5336 C CB . ASP B 124 ? 0.9171 0.7375 0.7467 -0.0615 0.0552 0.0579 125 ASP B CB +5337 C CG . ASP B 124 ? 0.9718 0.7883 0.8007 -0.0661 0.0591 0.0586 125 ASP B CG +5338 O OD1 . ASP B 124 ? 1.1167 0.9272 0.9390 -0.0672 0.0627 0.0602 125 ASP B OD1 +5339 O OD2 . ASP B 124 ? 1.0216 0.8410 0.8564 -0.0687 0.0586 0.0576 125 ASP B OD2 +5340 N N . PRO B 125 ? 0.9401 0.7655 0.7693 -0.0650 0.0653 0.0589 126 PRO B N +5341 C CA . PRO B 125 ? 0.9523 0.7729 0.7745 -0.0654 0.0695 0.0604 126 PRO B CA +5342 C C . PRO B 125 ? 0.9480 0.7566 0.7597 -0.0657 0.0709 0.0626 126 PRO B C +5343 O O . PRO B 125 ? 0.9422 0.7451 0.7458 -0.0644 0.0729 0.0640 126 PRO B O +5344 C CB . PRO B 125 ? 0.9660 0.7931 0.7953 -0.0697 0.0739 0.0598 126 PRO B CB +5345 C CG . PRO B 125 ? 1.2284 1.0653 1.0689 -0.0705 0.0713 0.0576 126 PRO B CG +5346 C CD . PRO B 125 ? 0.8637 0.6974 0.7030 -0.0686 0.0666 0.0573 126 PRO B CD +5347 N N . ARG B 126 ? 0.9008 0.7052 0.7121 -0.0673 0.0698 0.0628 127 ARG B N +5348 C CA . ARG B 126 ? 0.9294 0.7220 0.7307 -0.0676 0.0711 0.0648 127 ARG B CA +5349 C C . ARG B 126 ? 1.1112 0.8973 0.9050 -0.0629 0.0668 0.0655 127 ARG B C +5350 O O . ARG B 126 ? 1.1915 0.9691 0.9753 -0.0611 0.0678 0.0673 127 ARG B O +5351 C CB . ARG B 126 ? 0.9321 0.7227 0.7360 -0.0716 0.0721 0.0647 127 ARG B CB +5352 C CG . ARG B 126 ? 1.0868 0.8841 0.8985 -0.0765 0.0763 0.0639 127 ARG B CG +5353 C CD . ARG B 126 ? 1.1786 0.9739 0.9930 -0.0807 0.0772 0.0637 127 ARG B CD +5354 N NE . ARG B 126 ? 1.6482 1.4475 1.4686 -0.0798 0.0726 0.0621 127 ARG B NE +5355 C CZ . ARG B 126 ? 1.3913 1.2015 1.2219 -0.0799 0.0708 0.0600 127 ARG B CZ +5356 N NH1 . ARG B 126 ? 1.5935 1.4118 1.4297 -0.0807 0.0729 0.0592 127 ARG B NH1 +5357 N NH2 . ARG B 126 ? 1.1576 0.9703 0.9926 -0.0792 0.0668 0.0587 127 ARG B NH2 +5358 N N . THR B 127 ? 1.0378 0.8279 0.8363 -0.0607 0.0621 0.0641 128 THR B N +5359 C CA . THR B 127 ? 0.8736 0.6582 0.6660 -0.0563 0.0578 0.0646 128 THR B CA +5360 C C . THR B 127 ? 0.9634 0.7524 0.7561 -0.0522 0.0550 0.0639 128 THR B C +5361 O O . THR B 127 ? 0.9786 0.7622 0.7645 -0.0484 0.0522 0.0645 128 THR B O +5362 C CB . THR B 127 ? 0.9956 0.7811 0.7921 -0.0562 0.0543 0.0636 128 THR B CB +5363 O OG1 . THR B 127 ? 0.9436 0.7399 0.7504 -0.0561 0.0521 0.0615 128 THR B OG1 +5364 C CG2 . THR B 127 ? 0.9051 0.6867 0.7019 -0.0604 0.0569 0.0641 128 THR B CG2 +5365 N N . GLY B 128 ? 0.9343 0.7327 0.7344 -0.0527 0.0556 0.0625 129 GLY B N +5366 C CA . GLY B 128 ? 0.8548 0.6576 0.6559 -0.0490 0.0526 0.0616 129 GLY B CA +5367 C C . GLY B 128 ? 0.9514 0.7584 0.7574 -0.0466 0.0475 0.0601 129 GLY B C +5368 O O . GLY B 128 ? 0.9069 0.7172 0.7135 -0.0435 0.0448 0.0593 129 GLY B O +5369 N N . GLU B 129 ? 0.9309 0.7378 0.7404 -0.0481 0.0462 0.0597 130 GLU B N +5370 C CA . GLU B 129 ? 0.9913 0.8022 0.8056 -0.0462 0.0417 0.0582 130 GLU B CA +5371 C C . GLU B 129 ? 1.0712 0.8929 0.8963 -0.0477 0.0413 0.0563 130 GLU B C +5372 O O . GLU B 129 ? 0.8658 0.6912 0.6951 -0.0510 0.0447 0.0561 130 GLU B O +5373 C CB . GLU B 129 ? 0.8920 0.6977 0.7048 -0.0471 0.0405 0.0586 130 GLU B CB +5374 C CG . GLU B 129 ? 1.2161 1.0115 1.0186 -0.0446 0.0396 0.0602 130 GLU B CG +5375 C CD . GLU B 129 ? 1.4393 1.2351 1.2397 -0.0399 0.0353 0.0597 130 GLU B CD +5376 O OE1 . GLU B 129 ? 1.4814 1.2816 1.2870 -0.0386 0.0318 0.0584 130 GLU B OE1 +5377 O OE2 . GLU B 129 ? 1.6195 1.4112 1.4130 -0.0376 0.0355 0.0607 130 GLU B OE2 +5378 N N . PRO B 130 ? 0.9929 0.8196 0.8223 -0.0453 0.0374 0.0549 131 PRO B N +5379 C CA . PRO B 130 ? 0.8613 0.6975 0.7005 -0.0467 0.0368 0.0532 131 PRO B CA +5380 C C . PRO B 130 ? 0.8825 0.7195 0.7262 -0.0501 0.0377 0.0528 131 PRO B C +5381 O O . PRO B 130 ? 0.8032 0.6351 0.6443 -0.0501 0.0363 0.0532 131 PRO B O +5382 C CB . PRO B 130 ? 0.8828 0.7220 0.7240 -0.0433 0.0322 0.0520 131 PRO B CB +5383 C CG . PRO B 130 ? 1.0365 0.8690 0.8692 -0.0400 0.0307 0.0531 131 PRO B CG +5384 C CD . PRO B 130 ? 0.9648 0.7886 0.7904 -0.0414 0.0333 0.0549 131 PRO B CD +5385 N N . ALA B 131 ? 0.7418 0.5853 0.5923 -0.0531 0.0400 0.0519 132 ALA B N +5386 C CA . ALA B 131 ? 0.7140 0.5582 0.5686 -0.0568 0.0413 0.0516 132 ALA B CA +5387 C C . ALA B 131 ? 0.7864 0.6402 0.6503 -0.0589 0.0423 0.0500 132 ALA B C +5388 O O . ALA B 131 ? 0.8437 0.7014 0.7090 -0.0589 0.0444 0.0500 132 ALA B O +5389 C CB . ALA B 131 ? 0.8022 0.6390 0.6511 -0.0595 0.0451 0.0532 132 ALA B CB +5390 N N . LEU B 132 ? 0.8143 0.6719 0.6843 -0.0605 0.0408 0.0488 133 LEU B N +5391 C CA . LEU B 132 ? 0.8635 0.7299 0.7424 -0.0627 0.0415 0.0473 133 LEU B CA +5392 C C . LEU B 132 ? 0.7600 0.6252 0.6412 -0.0669 0.0434 0.0471 133 LEU B C +5393 O O . LEU B 132 ? 0.8286 0.6895 0.7082 -0.0672 0.0416 0.0472 133 LEU B O +5394 C CB . LEU B 132 ? 0.7789 0.6516 0.6636 -0.0607 0.0376 0.0456 133 LEU B CB +5395 C CG . LEU B 132 ? 0.8813 0.7565 0.7652 -0.0569 0.0357 0.0454 133 LEU B CG +5396 C CD1 . LEU B 132 ? 0.8064 0.6857 0.6945 -0.0549 0.0316 0.0440 133 LEU B CD1 +5397 C CD2 . LEU B 132 ? 0.7204 0.6014 0.6073 -0.0572 0.0382 0.0451 133 LEU B CD2 +5398 N N . ASP B 133 ? 0.8260 0.6951 0.7110 -0.0700 0.0468 0.0469 134 ASP B N +5399 C CA . ASP B 133 ? 0.8160 0.6847 0.7039 -0.0744 0.0488 0.0466 134 ASP B CA +5400 C C . ASP B 133 ? 0.8525 0.7293 0.7493 -0.0752 0.0464 0.0446 134 ASP B C +5401 O O . ASP B 133 ? 0.7894 0.6741 0.6931 -0.0768 0.0476 0.0434 134 ASP B O +5402 C CB . ASP B 133 ? 0.8047 0.6741 0.6927 -0.0775 0.0536 0.0472 134 ASP B CB +5403 C CG . ASP B 133 ? 0.8657 0.7346 0.7567 -0.0822 0.0558 0.0469 134 ASP B CG +5404 O OD1 . ASP B 133 ? 0.7458 0.6102 0.6353 -0.0829 0.0540 0.0468 134 ASP B OD1 +5405 O OD2 . ASP B 133 ? 0.8195 0.6927 0.7145 -0.0853 0.0592 0.0465 134 ASP B OD2 +5406 N N . LEU B 134 ? 0.7174 0.5920 0.6138 -0.0739 0.0429 0.0441 135 LEU B N +5407 C CA . LEU B 134 ? 0.7039 0.5857 0.6079 -0.0740 0.0402 0.0422 135 LEU B CA +5408 C C . LEU B 134 ? 0.7108 0.5970 0.6212 -0.0783 0.0419 0.0411 135 LEU B C +5409 O O . LEU B 134 ? 0.7557 0.6503 0.6735 -0.0785 0.0407 0.0394 135 LEU B O +5410 C CB . LEU B 134 ? 0.6492 0.5270 0.5509 -0.0720 0.0364 0.0420 135 LEU B CB +5411 C CG . LEU B 134 ? 0.7227 0.5968 0.6188 -0.0676 0.0343 0.0429 135 LEU B CG +5412 C CD1 . LEU B 134 ? 0.7539 0.6225 0.6467 -0.0663 0.0315 0.0430 135 LEU B CD1 +5413 C CD2 . LEU B 134 ? 0.6944 0.5760 0.5947 -0.0649 0.0324 0.0419 135 LEU B CD2 +5414 N N . PRO B 135 ? 0.7107 0.5918 0.6188 -0.0818 0.0444 0.0417 136 PRO B N +5415 C CA . PRO B 135 ? 0.7269 0.6129 0.6418 -0.0861 0.0460 0.0404 136 PRO B CA +5416 C C . PRO B 135 ? 0.7431 0.6375 0.6640 -0.0873 0.0484 0.0397 136 PRO B C +5417 O O . PRO B 135 ? 0.7201 0.6221 0.6488 -0.0891 0.0478 0.0380 136 PRO B O +5418 C CB . PRO B 135 ? 0.7468 0.6243 0.6563 -0.0893 0.0486 0.0417 136 PRO B CB +5419 C CG . PRO B 135 ? 0.7562 0.6251 0.6580 -0.0863 0.0464 0.0429 136 PRO B CG +5420 C CD . PRO B 135 ? 0.6863 0.5567 0.5859 -0.0819 0.0451 0.0434 136 PRO B CD +5421 N N . LYS B 136 ? 0.6951 0.5884 0.6125 -0.0863 0.0509 0.0409 137 LYS B N +5422 C CA . LYS B 136 ? 0.8751 0.7765 0.7982 -0.0872 0.0533 0.0402 137 LYS B CA +5423 C C . LYS B 136 ? 0.7084 0.6172 0.6358 -0.0836 0.0505 0.0390 137 LYS B C +5424 O O . LYS B 136 ? 0.7643 0.6818 0.6991 -0.0844 0.0510 0.0376 137 LYS B O +5425 C CB . LYS B 136 ? 0.7486 0.6461 0.6663 -0.0875 0.0574 0.0418 137 LYS B CB +5426 C CG . LYS B 136 ? 0.7240 0.6298 0.6477 -0.0889 0.0604 0.0410 137 LYS B CG +5427 C CD . LYS B 136 ? 0.8983 0.8004 0.8168 -0.0893 0.0647 0.0426 137 LYS B CD +5428 C CE . LYS B 136 ? 0.8878 0.7818 0.8011 -0.0930 0.0679 0.0440 137 LYS B CE +5429 N NZ . LYS B 136 ? 0.9069 0.7956 0.8129 -0.0922 0.0713 0.0459 137 LYS B NZ +5430 N N . MET B 137 ? 0.7893 0.6947 0.7122 -0.0796 0.0476 0.0396 138 MET B N +5431 C CA . MET B 137 ? 0.7438 0.6554 0.6705 -0.0763 0.0446 0.0385 138 MET B CA +5432 C C . MET B 137 ? 0.7273 0.6453 0.6616 -0.0775 0.0422 0.0366 138 MET B C +5433 O O . MET B 137 ? 0.7380 0.6639 0.6784 -0.0766 0.0413 0.0352 138 MET B O +5434 C CB . MET B 137 ? 0.7121 0.6186 0.6329 -0.0723 0.0415 0.0393 138 MET B CB +5435 C CG . MET B 137 ? 0.7727 0.6741 0.6863 -0.0702 0.0431 0.0409 138 MET B CG +5436 S SD . MET B 137 ? 0.8584 0.7528 0.7647 -0.0661 0.0396 0.0418 138 MET B SD +5437 C CE . MET B 137 ? 0.7095 0.6113 0.6225 -0.0639 0.0353 0.0399 138 MET B CE +5438 N N . PHE B 138 ? 0.6594 0.5736 0.5931 -0.0794 0.0411 0.0364 139 PHE B N +5439 C CA . PHE B 138 ? 0.7262 0.6459 0.6666 -0.0805 0.0387 0.0345 139 PHE B CA +5440 C C . PHE B 138 ? 0.7473 0.6750 0.6953 -0.0835 0.0408 0.0332 139 PHE B C +5441 O O . PHE B 138 ? 0.7350 0.6702 0.6895 -0.0829 0.0388 0.0316 139 PHE B O +5442 C CB . PHE B 138 ? 0.6601 0.5738 0.5981 -0.0823 0.0375 0.0346 139 PHE B CB +5443 C CG . PHE B 138 ? 0.8207 0.7396 0.7653 -0.0838 0.0353 0.0327 139 PHE B CG +5444 C CD1 . PHE B 138 ? 0.7304 0.6538 0.6780 -0.0810 0.0318 0.0316 139 PHE B CD1 +5445 C CD2 . PHE B 138 ? 0.6214 0.5411 0.5692 -0.0881 0.0369 0.0320 139 PHE B CD2 +5446 C CE1 . PHE B 138 ? 0.7052 0.6333 0.6585 -0.0822 0.0297 0.0298 139 PHE B CE1 +5447 C CE2 . PHE B 138 ? 0.7186 0.6433 0.6725 -0.0894 0.0347 0.0301 139 PHE B CE2 +5448 C CZ . PHE B 138 ? 0.7426 0.6715 0.6991 -0.0864 0.0311 0.0290 139 PHE B CZ +5449 N N . GLY B 139 ? 0.7666 0.6927 0.7139 -0.0867 0.0447 0.0339 140 GLY B N +5450 C CA . GLY B 139 ? 0.6854 0.6193 0.6402 -0.0898 0.0468 0.0326 140 GLY B CA +5451 C C . GLY B 139 ? 0.6606 0.6020 0.6192 -0.0875 0.0474 0.0321 140 GLY B C +5452 O O . GLY B 139 ? 0.7486 0.6986 0.7150 -0.0883 0.0470 0.0304 140 GLY B O +5453 N N . ILE B 140 ? 0.6484 0.5865 0.6015 -0.0846 0.0482 0.0335 141 ILE B N +5454 C CA . ILE B 140 ? 0.6589 0.6034 0.6149 -0.0820 0.0485 0.0330 141 ILE B CA +5455 C C . ILE B 140 ? 0.7420 0.6917 0.7021 -0.0791 0.0443 0.0316 141 ILE B C +5456 O O . ILE B 140 ? 0.7233 0.6813 0.6899 -0.0787 0.0440 0.0302 141 ILE B O +5457 C CB . ILE B 140 ? 0.7075 0.6464 0.6558 -0.0793 0.0498 0.0348 141 ILE B CB +5458 C CG1 . ILE B 140 ? 0.7564 0.6913 0.7012 -0.0820 0.0545 0.0361 141 ILE B CG1 +5459 C CG2 . ILE B 140 ? 0.6758 0.6205 0.6264 -0.0758 0.0491 0.0342 141 ILE B CG2 +5460 C CD1 . ILE B 140 ? 0.6915 0.6196 0.6277 -0.0795 0.0557 0.0380 141 ILE B CD1 +5461 N N . HIS B 141 ? 0.7236 0.6685 0.6799 -0.0771 0.0410 0.0319 142 HIS B N +5462 C CA . HIS B 141 ? 0.7590 0.7082 0.7184 -0.0743 0.0371 0.0307 142 HIS B CA +5463 C C . HIS B 141 ? 0.7430 0.6981 0.7097 -0.0764 0.0356 0.0289 142 HIS B C +5464 O O . HIS B 141 ? 0.7787 0.7406 0.7506 -0.0749 0.0338 0.0275 142 HIS B O +5465 C CB . HIS B 141 ? 0.6471 0.5896 0.6005 -0.0717 0.0343 0.0316 142 HIS B CB +5466 C CG . HIS B 141 ? 0.7216 0.6598 0.6687 -0.0688 0.0350 0.0330 142 HIS B CG +5467 N ND1 . HIS B 141 ? 0.6399 0.5708 0.5803 -0.0670 0.0334 0.0342 142 HIS B ND1 +5468 C CD2 . HIS B 141 ? 0.6388 0.5789 0.5852 -0.0676 0.0371 0.0334 142 HIS B CD2 +5469 C CE1 . HIS B 141 ? 0.7258 0.6543 0.6617 -0.0647 0.0344 0.0352 142 HIS B CE1 +5470 N NE2 . HIS B 141 ? 0.6807 0.6146 0.6199 -0.0650 0.0367 0.0348 142 HIS B NE2 +5471 N N . LEU B 142 ? 0.7607 0.7132 0.7278 -0.0800 0.0364 0.0288 143 LEU B N +5472 C CA . LEU B 142 ? 0.7273 0.6854 0.7013 -0.0824 0.0352 0.0269 143 LEU B CA +5473 C C . LEU B 142 ? 0.7061 0.6730 0.6872 -0.0838 0.0372 0.0257 143 LEU B C +5474 O O . LEU B 142 ? 0.7496 0.7237 0.7370 -0.0834 0.0352 0.0240 143 LEU B O +5475 C CB . LEU B 142 ? 0.6807 0.6336 0.6531 -0.0861 0.0360 0.0271 143 LEU B CB +5476 C CG . LEU B 142 ? 0.7277 0.6847 0.7061 -0.0889 0.0344 0.0252 143 LEU B CG +5477 C CD1 . LEU B 142 ? 0.6856 0.6442 0.6653 -0.0863 0.0299 0.0242 143 LEU B CD1 +5478 C CD2 . LEU B 142 ? 0.6513 0.6018 0.6269 -0.0927 0.0358 0.0257 143 LEU B CD2 +5479 N N . PHE B 143 ? 0.6822 0.6486 0.6622 -0.0853 0.0412 0.0266 144 PHE B N +5480 C CA . PHE B 143 ? 0.7170 0.6920 0.7037 -0.0863 0.0434 0.0255 144 PHE B CA +5481 C C . PHE B 143 ? 0.7404 0.7217 0.7302 -0.0824 0.0414 0.0247 144 PHE B C +5482 O O . PHE B 143 ? 0.7870 0.7767 0.7842 -0.0826 0.0407 0.0230 144 PHE B O +5483 C CB . PHE B 143 ? 0.7795 0.7519 0.7633 -0.0880 0.0482 0.0269 144 PHE B CB +5484 C CG . PHE B 143 ? 0.7243 0.7053 0.7147 -0.0891 0.0509 0.0259 144 PHE B CG +5485 C CD1 . PHE B 143 ? 0.8320 0.8183 0.8290 -0.0932 0.0525 0.0245 144 PHE B CD1 +5486 C CD2 . PHE B 143 ? 0.7770 0.7609 0.7669 -0.0859 0.0519 0.0262 144 PHE B CD2 +5487 C CE1 . PHE B 143 ? 0.7550 0.7496 0.7584 -0.0941 0.0550 0.0235 144 PHE B CE1 +5488 C CE2 . PHE B 143 ? 0.9320 0.9240 0.9281 -0.0867 0.0544 0.0252 144 PHE B CE2 +5489 C CZ . PHE B 143 ? 0.9507 0.9483 0.9537 -0.0908 0.0560 0.0238 144 PHE B CZ +5490 N N . LEU B 144 ? 0.6956 0.6729 0.6798 -0.0786 0.0405 0.0259 145 LEU B N +5491 C CA . LEU B 144 ? 0.7092 0.6916 0.6955 -0.0748 0.0386 0.0252 145 LEU B CA +5492 C C . LEU B 144 ? 0.6977 0.6834 0.6877 -0.0736 0.0344 0.0237 145 LEU B C +5493 O O . LEU B 144 ? 0.6723 0.6652 0.6676 -0.0720 0.0331 0.0223 145 LEU B O +5494 C CB . LEU B 144 ? 0.8145 0.7912 0.7935 -0.0713 0.0383 0.0267 145 LEU B CB +5495 C CG . LEU B 144 ? 0.8614 0.8350 0.8362 -0.0716 0.0423 0.0281 145 LEU B CG +5496 C CD1 . LEU B 144 ? 0.9857 0.9515 0.9522 -0.0688 0.0414 0.0297 145 LEU B CD1 +5497 C CD2 . LEU B 144 ? 0.9948 0.9758 0.9741 -0.0704 0.0441 0.0273 145 LEU B CD2 +5498 N N . ALA B 145 ? 0.6029 0.5832 0.5899 -0.0741 0.0321 0.0240 146 ALA B N +5499 C CA . ALA B 145 ? 0.6747 0.6576 0.6648 -0.0733 0.0283 0.0226 146 ALA B CA +5500 C C . ALA B 145 ? 0.7246 0.7152 0.7227 -0.0758 0.0282 0.0207 146 ALA B C +5501 O O . ALA B 145 ? 0.7114 0.7076 0.7138 -0.0742 0.0257 0.0193 146 ALA B O +5502 C CB . ALA B 145 ? 0.5837 0.5592 0.5690 -0.0738 0.0264 0.0233 146 ALA B CB +5503 N N . GLY B 146 ? 0.7215 0.7121 0.7213 -0.0798 0.0310 0.0207 147 GLY B N +5504 C CA . GLY B 146 ? 0.6387 0.6370 0.6465 -0.0825 0.0311 0.0188 147 GLY B CA +5505 C C . GLY B 146 ? 0.6798 0.6869 0.6934 -0.0809 0.0319 0.0178 147 GLY B C +5506 O O . GLY B 146 ? 0.7426 0.7567 0.7623 -0.0805 0.0297 0.0160 147 GLY B O +5507 N N A LEU B 147 ? 0.6893 0.6960 0.7008 -0.0800 0.0349 0.0188 148 LEU B N +5508 N N B LEU B 147 ? 0.6893 0.6961 0.7008 -0.0799 0.0349 0.0189 148 LEU B N +5509 C CA A LEU B 147 ? 0.6934 0.7083 0.7100 -0.0781 0.0357 0.0179 148 LEU B CA +5510 C CA B LEU B 147 ? 0.6936 0.7082 0.7099 -0.0780 0.0358 0.0180 148 LEU B CA +5511 C C A LEU B 147 ? 0.8235 0.8412 0.8409 -0.0739 0.0319 0.0171 148 LEU B C +5512 C C B LEU B 147 ? 0.8235 0.8410 0.8407 -0.0738 0.0320 0.0172 148 LEU B C +5513 O O A LEU B 147 ? 0.7228 0.7484 0.7465 -0.0729 0.0308 0.0155 148 LEU B O +5514 O O B LEU B 147 ? 0.7230 0.7485 0.7466 -0.0729 0.0308 0.0155 148 LEU B O +5515 C CB A LEU B 147 ? 0.7258 0.7387 0.7387 -0.0772 0.0394 0.0193 148 LEU B CB +5516 C CB B LEU B 147 ? 0.7269 0.7389 0.7390 -0.0770 0.0394 0.0195 148 LEU B CB +5517 C CG A LEU B 147 ? 0.7815 0.7925 0.7938 -0.0811 0.0439 0.0201 148 LEU B CG +5518 C CG B LEU B 147 ? 0.8319 0.8497 0.8486 -0.0790 0.0435 0.0191 148 LEU B CG +5519 C CD1 A LEU B 147 ? 0.8287 0.8362 0.8356 -0.0792 0.0468 0.0218 148 LEU B CD1 +5520 C CD1 B LEU B 147 ? 0.8645 0.8794 0.8761 -0.0767 0.0462 0.0206 148 LEU B CD1 +5521 C CD2 A LEU B 147 ? 0.6190 0.6392 0.6401 -0.0839 0.0457 0.0184 148 LEU B CD2 +5522 C CD2 B LEU B 147 ? 0.6573 0.6858 0.6829 -0.0784 0.0424 0.0169 148 LEU B CD2 +5523 N N . LEU B 148 ? 0.7156 0.7266 0.7264 -0.0712 0.0299 0.0183 149 LEU B N +5524 C CA . LEU B 148 ? 0.7676 0.7804 0.7785 -0.0672 0.0265 0.0178 149 LEU B CA +5525 C C . LEU B 148 ? 0.7089 0.7250 0.7241 -0.0678 0.0231 0.0162 149 LEU B C +5526 O O . LEU B 148 ? 0.6972 0.7190 0.7163 -0.0656 0.0210 0.0149 149 LEU B O +5527 C CB . LEU B 148 ? 0.7830 0.7877 0.7859 -0.0647 0.0254 0.0194 149 LEU B CB +5528 C CG . LEU B 148 ? 0.9842 0.9903 0.9860 -0.0604 0.0237 0.0193 149 LEU B CG +5529 C CD1 . LEU B 148 ? 1.1539 1.1638 1.1571 -0.0594 0.0266 0.0194 149 LEU B CD1 +5530 C CD2 . LEU B 148 ? 1.1029 1.1011 1.0972 -0.0584 0.0225 0.0208 149 LEU B CD2 +5531 N N . CYS B 149 ? 0.6713 0.6834 0.6853 -0.0707 0.0225 0.0162 150 CYS B N +5532 C CA . CYS B 149 ? 0.7077 0.7225 0.7254 -0.0716 0.0194 0.0147 150 CYS B CA +5533 C C . CYS B 149 ? 0.6794 0.7037 0.7055 -0.0729 0.0196 0.0127 150 CYS B C +5534 O O . CYS B 149 ? 0.8447 0.8739 0.8744 -0.0710 0.0168 0.0113 150 CYS B O +5535 C CB . CYS B 149 ? 0.6260 0.6346 0.6409 -0.0748 0.0195 0.0151 150 CYS B CB +5536 S SG . CYS B 149 ? 0.6559 0.6659 0.6739 -0.0761 0.0156 0.0134 150 CYS B SG +5537 N N . PHE B 150 ? 0.8308 0.8576 0.8599 -0.0759 0.0231 0.0127 151 PHE B N +5538 C CA . PHE B 150 ? 0.6690 0.7053 0.7065 -0.0773 0.0237 0.0108 151 PHE B CA +5539 C C . PHE B 150 ? 0.6619 0.7046 0.7024 -0.0734 0.0230 0.0101 151 PHE B C +5540 O O . PHE B 150 ? 0.6132 0.6633 0.6599 -0.0728 0.0209 0.0082 151 PHE B O +5541 C CB . PHE B 150 ? 0.7263 0.7635 0.7656 -0.0813 0.0282 0.0111 151 PHE B CB +5542 C CG . PHE B 150 ? 0.6566 0.7039 0.7046 -0.0825 0.0294 0.0093 151 PHE B CG +5543 C CD1 . PHE B 150 ? 0.6690 0.7214 0.7234 -0.0855 0.0281 0.0073 151 PHE B CD1 +5544 C CD2 . PHE B 150 ? 0.6971 0.7493 0.7472 -0.0805 0.0316 0.0093 151 PHE B CD2 +5545 C CE1 . PHE B 150 ? 0.7656 0.8279 0.8284 -0.0866 0.0290 0.0055 151 PHE B CE1 +5546 C CE2 . PHE B 150 ? 0.7685 0.8305 0.8270 -0.0814 0.0327 0.0075 151 PHE B CE2 +5547 C CZ . PHE B 150 ? 0.6991 0.7664 0.7641 -0.0845 0.0314 0.0056 151 PHE B CZ +5548 N N . GLY B 151 ? 0.6581 0.6983 0.6944 -0.0708 0.0247 0.0115 152 GLY B N +5549 C CA . GLY B 151 ? 0.7252 0.7710 0.7640 -0.0671 0.0241 0.0108 152 GLY B CA +5550 C C . GLY B 151 ? 0.7361 0.7822 0.7743 -0.0635 0.0198 0.0102 152 GLY B C +5551 O O . GLY B 151 ? 0.7407 0.7935 0.7834 -0.0612 0.0183 0.0088 152 GLY B O +5552 N N . PHE B 152 ? 0.7360 0.7748 0.7684 -0.0630 0.0177 0.0111 153 PHE B N +5553 C CA . PHE B 152 ? 0.7382 0.7768 0.7697 -0.0601 0.0136 0.0106 153 PHE B CA +5554 C C . PHE B 152 ? 0.7277 0.7728 0.7657 -0.0611 0.0112 0.0085 153 PHE B C +5555 O O . PHE B 152 ? 0.7013 0.7513 0.7422 -0.0583 0.0089 0.0073 153 PHE B O +5556 C CB . PHE B 152 ? 0.6686 0.6983 0.6932 -0.0599 0.0122 0.0119 153 PHE B CB +5557 C CG . PHE B 152 ? 0.6838 0.7127 0.7071 -0.0574 0.0082 0.0113 153 PHE B CG +5558 C CD1 . PHE B 152 ? 0.6812 0.7114 0.7036 -0.0533 0.0068 0.0113 153 PHE B CD1 +5559 C CD2 . PHE B 152 ? 0.6314 0.6579 0.6543 -0.0590 0.0059 0.0108 153 PHE B CD2 +5560 C CE1 . PHE B 152 ? 0.6374 0.6666 0.6584 -0.0511 0.0033 0.0108 153 PHE B CE1 +5561 C CE2 . PHE B 152 ? 0.6816 0.7072 0.7031 -0.0566 0.0024 0.0103 153 PHE B CE2 +5562 C CZ . PHE B 152 ? 0.6260 0.6528 0.6465 -0.0527 0.0011 0.0104 153 PHE B CZ +5563 N N . GLY B 153 ? 0.6731 0.7184 0.7135 -0.0651 0.0116 0.0079 154 GLY B N +5564 C CA . GLY B 153 ? 0.7334 0.7847 0.7799 -0.0663 0.0092 0.0058 154 GLY B CA +5565 C C . GLY B 153 ? 0.6621 0.7232 0.7164 -0.0664 0.0103 0.0042 154 GLY B C +5566 O O . GLY B 153 ? 0.6970 0.7641 0.7558 -0.0648 0.0076 0.0026 154 GLY B O +5567 N N . ALA B 154 ? 0.7326 0.7954 0.7886 -0.0683 0.0143 0.0047 155 ALA B N +5568 C CA . ALA B 154 ? 0.6155 0.6880 0.6795 -0.0690 0.0157 0.0031 155 ALA B CA +5569 C C . ALA B 154 ? 0.7314 0.8088 0.7969 -0.0643 0.0149 0.0027 155 ALA B C +5570 O O . ALA B 154 ? 0.7279 0.8139 0.8003 -0.0635 0.0138 0.0008 155 ALA B O +5571 C CB . ALA B 154 ? 0.6237 0.6965 0.6889 -0.0725 0.0204 0.0037 155 ALA B CB +5572 N N . PHE B 155 ? 0.6496 0.7216 0.7089 -0.0612 0.0154 0.0043 156 PHE B N +5573 C CA . PHE B 155 ? 0.7524 0.8283 0.8125 -0.0569 0.0151 0.0040 156 PHE B CA +5574 C C . PHE B 155 ? 0.8322 0.9051 0.8884 -0.0528 0.0113 0.0042 156 PHE B C +5575 O O . PHE B 155 ? 0.7238 0.8021 0.7832 -0.0497 0.0093 0.0030 156 PHE B O +5576 C CB . PHE B 155 ? 0.6782 0.7512 0.7346 -0.0561 0.0190 0.0056 156 PHE B CB +5577 C CG . PHE B 155 ? 0.6867 0.7628 0.7468 -0.0598 0.0231 0.0055 156 PHE B CG +5578 C CD1 . PHE B 155 ? 0.8202 0.9059 0.8881 -0.0600 0.0245 0.0039 156 PHE B CD1 +5579 C CD2 . PHE B 155 ? 0.8063 0.8759 0.8622 -0.0631 0.0258 0.0071 156 PHE B CD2 +5580 C CE1 . PHE B 155 ? 0.9770 1.0657 1.0484 -0.0636 0.0286 0.0038 156 PHE B CE1 +5581 C CE2 . PHE B 155 ? 0.8704 0.9425 0.9293 -0.0666 0.0298 0.0071 156 PHE B CE2 +5582 C CZ . PHE B 155 ? 0.7904 0.8722 0.8572 -0.0670 0.0313 0.0054 156 PHE B CZ +5583 N N . HIS B 156 ? 0.7094 0.7736 0.7585 -0.0526 0.0102 0.0057 157 HIS B N +5584 C CA . HIS B 156 ? 0.6959 0.7569 0.7409 -0.0487 0.0070 0.0059 157 HIS B CA +5585 C C . HIS B 156 ? 0.5973 0.6609 0.6451 -0.0486 0.0031 0.0044 157 HIS B C +5586 O O . HIS B 156 ? 0.6873 0.7544 0.7367 -0.0453 0.0006 0.0035 157 HIS B O +5587 C CB . HIS B 156 ? 0.7157 0.7669 0.7525 -0.0485 0.0072 0.0079 157 HIS B CB +5588 C CG . HIS B 156 ? 0.6935 0.7410 0.7258 -0.0449 0.0042 0.0083 157 HIS B CG +5589 N ND1 . HIS B 156 ? 0.6476 0.6908 0.6747 -0.0421 0.0049 0.0096 157 HIS B ND1 +5590 C CD2 . HIS B 156 ? 0.5786 0.6259 0.6108 -0.0436 0.0006 0.0075 157 HIS B CD2 +5591 C CE1 . HIS B 156 ? 0.7084 0.7491 0.7326 -0.0394 0.0019 0.0096 157 HIS B CE1 +5592 N NE2 . HIS B 156 ? 0.6138 0.6567 0.6408 -0.0402 -0.0007 0.0084 157 HIS B NE2 +5593 N N . LEU B 157 ? 0.5796 0.6414 0.6279 -0.0521 0.0025 0.0042 158 LEU B N +5594 C CA . LEU B 157 ? 0.6416 0.7046 0.6914 -0.0520 -0.0013 0.0028 158 LEU B CA +5595 C C . LEU B 157 ? 0.7636 0.8362 0.8214 -0.0520 -0.0025 0.0006 158 LEU B C +5596 O O . LEU B 157 ? 0.7424 0.8173 0.8014 -0.0499 -0.0060 -0.0005 158 LEU B O +5597 C CB . LEU B 157 ? 0.6617 0.7197 0.7095 -0.0557 -0.0015 0.0031 158 LEU B CB +5598 C CG . LEU B 157 ? 0.7547 0.8031 0.7945 -0.0555 -0.0010 0.0052 158 LEU B CG +5599 C CD1 . LEU B 157 ? 0.6212 0.6650 0.6595 -0.0594 -0.0008 0.0054 158 LEU B CD1 +5600 C CD2 . LEU B 157 ? 0.6919 0.7367 0.7271 -0.0516 -0.0040 0.0056 158 LEU B CD2 +5601 N N . THR B 158 ? 0.6677 0.7461 0.7311 -0.0541 0.0003 0.0000 159 THR B N +5602 C CA . THR B 158 ? 0.6468 0.7350 0.7184 -0.0543 -0.0008 -0.0023 159 THR B CA +5603 C C . THR B 158 ? 0.6630 0.7564 0.7366 -0.0497 -0.0017 -0.0029 159 THR B C +5604 O O . THR B 158 ? 0.7339 0.8350 0.8136 -0.0488 -0.0036 -0.0049 159 THR B O +5605 C CB . THR B 158 ? 0.6447 0.7379 0.7220 -0.0583 0.0028 -0.0029 159 THR B CB +5606 O OG1 . THR B 158 ? 0.6402 0.7331 0.7163 -0.0574 0.0065 -0.0017 159 THR B OG1 +5607 C CG2 . THR B 158 ? 0.5561 0.6442 0.6317 -0.0631 0.0038 -0.0024 159 THR B CG2 +5608 N N . GLY B 159 ? 0.6500 0.7392 0.7185 -0.0468 -0.0003 -0.0014 160 GLY B N +5609 C CA . GLY B 159 ? 0.5770 0.6712 0.6476 -0.0427 -0.0004 -0.0019 160 GLY B CA +5610 C C . GLY B 159 ? 0.6202 0.7210 0.6962 -0.0436 0.0032 -0.0024 160 GLY B C +5611 O O . GLY B 159 ? 0.7704 0.8757 0.8485 -0.0401 0.0034 -0.0030 160 GLY B O +5612 N N . LEU B 160 ? 0.6004 0.7017 0.6787 -0.0481 0.0062 -0.0023 161 LEU B N +5613 C CA . LEU B 160 ? 0.7375 0.8448 0.8207 -0.0492 0.0101 -0.0026 161 LEU B CA +5614 C C . LEU B 160 ? 0.7326 0.8368 0.8112 -0.0461 0.0125 -0.0012 161 LEU B C +5615 O O . LEU B 160 ? 0.9048 1.0151 0.9872 -0.0439 0.0139 -0.0019 161 LEU B O +5616 C CB . LEU B 160 ? 0.8097 0.9157 0.8941 -0.0547 0.0133 -0.0022 161 LEU B CB +5617 C CG . LEU B 160 ? 0.9765 1.0914 1.0700 -0.0582 0.0141 -0.0043 161 LEU B CG +5618 C CD1 . LEU B 160 ? 1.0730 1.1899 1.1691 -0.0588 0.0097 -0.0059 161 LEU B CD1 +5619 C CD2 . LEU B 160 ? 1.0689 1.1812 1.1622 -0.0633 0.0181 -0.0034 161 LEU B CD2 +5620 N N . PHE B 161 ? 0.7497 0.8444 0.8202 -0.0460 0.0130 0.0009 162 PHE B N +5621 C CA . PHE B 161 ? 0.8028 0.8934 0.8679 -0.0429 0.0148 0.0024 162 PHE B CA +5622 C C . PHE B 161 ? 0.6936 0.7747 0.7504 -0.0415 0.0125 0.0039 162 PHE B C +5623 O O . PHE B 161 ? 0.7648 0.8387 0.8162 -0.0433 0.0140 0.0055 162 PHE B O +5624 C CB . PHE B 161 ? 0.7058 0.7954 0.7703 -0.0454 0.0196 0.0034 162 PHE B CB +5625 C CG . PHE B 161 ? 0.6993 0.7848 0.7583 -0.0424 0.0215 0.0048 162 PHE B CG +5626 C CD1 . PHE B 161 ? 0.8155 0.9046 0.8754 -0.0380 0.0206 0.0041 162 PHE B CD1 +5627 C CD2 . PHE B 161 ? 0.7638 0.8417 0.8164 -0.0438 0.0240 0.0067 162 PHE B CD2 +5628 C CE1 . PHE B 161 ? 0.8679 0.9530 0.9226 -0.0352 0.0223 0.0053 162 PHE B CE1 +5629 C CE2 . PHE B 161 ? 0.7966 0.8708 0.8440 -0.0410 0.0256 0.0079 162 PHE B CE2 +5630 C CZ . PHE B 161 ? 0.8774 0.9551 0.9258 -0.0368 0.0247 0.0072 162 PHE B CZ +5631 N N . GLY B 162 ? 0.7156 0.7969 0.7717 -0.0382 0.0087 0.0033 163 GLY B N +5632 C CA . GLY B 162 ? 0.6658 0.7390 0.7150 -0.0370 0.0062 0.0044 163 GLY B CA +5633 C C . GLY B 162 ? 0.6804 0.7553 0.7308 -0.0351 0.0019 0.0032 163 GLY B C +5634 O O . GLY B 162 ? 0.7353 0.8177 0.7922 -0.0350 0.0006 0.0014 163 GLY B O +5635 N N . PRO B 163 ? 0.7580 0.8261 0.8024 -0.0336 -0.0004 0.0041 164 PRO B N +5636 C CA . PRO B 163 ? 0.6339 0.7030 0.6784 -0.0310 -0.0044 0.0031 164 PRO B CA +5637 C C . PRO B 163 ? 0.7726 0.8425 0.8192 -0.0334 -0.0069 0.0022 164 PRO B C +5638 O O . PRO B 163 ? 0.7203 0.7929 0.7685 -0.0314 -0.0101 0.0010 164 PRO B O +5639 C CB . PRO B 163 ? 0.6433 0.7042 0.6799 -0.0286 -0.0053 0.0047 164 PRO B CB +5640 C CG . PRO B 163 ? 0.7827 0.8376 0.8155 -0.0318 -0.0031 0.0062 164 PRO B CG +5641 C CD . PRO B 163 ? 0.6697 0.7288 0.7067 -0.0342 0.0005 0.0060 164 PRO B CD +5642 N N . GLY B 164 ? 0.6781 0.7453 0.7244 -0.0374 -0.0056 0.0026 165 GLY B N +5643 C CA . GLY B 164 ? 0.6352 0.7019 0.6824 -0.0395 -0.0081 0.0018 165 GLY B CA +5644 C C . GLY B 164 ? 0.6175 0.6755 0.6577 -0.0394 -0.0096 0.0031 165 GLY B C +5645 O O . GLY B 164 ? 0.6945 0.7466 0.7297 -0.0395 -0.0077 0.0048 165 GLY B O +5646 N N . MET B 165 ? 0.6824 0.7396 0.7220 -0.0389 -0.0129 0.0024 166 MET B N +5647 C CA . MET B 165 ? 0.6746 0.7240 0.7078 -0.0388 -0.0144 0.0034 166 MET B CA +5648 C C . MET B 165 ? 0.7043 0.7543 0.7370 -0.0364 -0.0182 0.0024 166 MET B C +5649 O O . MET B 165 ? 0.6641 0.7206 0.7015 -0.0354 -0.0198 0.0008 166 MET B O +5650 C CB . MET B 165 ? 0.6202 0.6661 0.6527 -0.0430 -0.0136 0.0037 166 MET B CB +5651 C CG . MET B 165 ? 0.6919 0.7422 0.7293 -0.0454 -0.0153 0.0019 166 MET B CG +5652 S SD . MET B 165 ? 0.7832 0.8294 0.8199 -0.0504 -0.0142 0.0021 166 MET B SD +5653 C CE . MET B 165 ? 0.7072 0.7458 0.7374 -0.0493 -0.0171 0.0027 166 MET B CE +5654 N N . TRP B 166 ? 0.7548 0.7980 0.7815 -0.0355 -0.0195 0.0034 167 TRP B N +5655 C CA . TRP B 166 ? 0.7187 0.7611 0.7436 -0.0331 -0.0230 0.0027 167 TRP B CA +5656 C C . TRP B 166 ? 0.6977 0.7421 0.7254 -0.0354 -0.0250 0.0013 167 TRP B C +5657 O O . TRP B 166 ? 0.7073 0.7486 0.7340 -0.0386 -0.0243 0.0016 167 TRP B O +5658 C CB . TRP B 166 ? 0.6582 0.6926 0.6759 -0.0318 -0.0235 0.0042 167 TRP B CB +5659 C CG . TRP B 166 ? 0.6014 0.6343 0.6165 -0.0292 -0.0266 0.0037 167 TRP B CG +5660 C CD1 . TRP B 166 ? 0.6797 0.7114 0.6940 -0.0300 -0.0291 0.0029 167 TRP B CD1 +5661 C CD2 . TRP B 166 ? 0.6791 0.7113 0.6916 -0.0253 -0.0277 0.0039 167 TRP B CD2 +5662 N NE1 . TRP B 166 ? 0.6892 0.7195 0.7006 -0.0268 -0.0315 0.0027 167 TRP B NE1 +5663 C CE2 . TRP B 166 ? 0.6599 0.6903 0.6701 -0.0240 -0.0307 0.0034 167 TRP B CE2 +5664 C CE3 . TRP B 166 ? 0.6866 0.7191 0.6982 -0.0228 -0.0263 0.0046 167 TRP B CE3 +5665 C CZ2 . TRP B 166 ? 0.6151 0.6439 0.6220 -0.0203 -0.0323 0.0035 167 TRP B CZ2 +5666 C CZ3 . TRP B 166 ? 0.6635 0.6944 0.6720 -0.0192 -0.0280 0.0047 167 TRP B CZ3 +5667 C CH2 . TRP B 166 ? 0.6090 0.6381 0.6152 -0.0180 -0.0310 0.0042 167 TRP B CH2 +5668 N N . VAL B 167 ? 0.6275 0.6770 0.6584 -0.0338 -0.0276 -0.0003 168 VAL B N +5669 C CA . VAL B 167 ? 0.6486 0.7005 0.6822 -0.0355 -0.0301 -0.0019 168 VAL B CA +5670 C C . VAL B 167 ? 0.6310 0.6824 0.6622 -0.0322 -0.0336 -0.0026 168 VAL B C +5671 O O . VAL B 167 ? 0.7170 0.7689 0.7468 -0.0286 -0.0341 -0.0022 168 VAL B O +5672 C CB . VAL B 167 ? 0.7534 0.8138 0.7950 -0.0376 -0.0297 -0.0036 168 VAL B CB +5673 C CG1 . VAL B 167 ? 0.7371 0.7976 0.7806 -0.0409 -0.0258 -0.0029 168 VAL B CG1 +5674 C CG2 . VAL B 167 ? 0.7297 0.7966 0.7749 -0.0342 -0.0305 -0.0046 168 VAL B CG2 +5675 N N . SER B 168 ? 0.6455 0.6956 0.6759 -0.0333 -0.0360 -0.0034 169 SER B N +5676 C CA . SER B 168 ? 0.7422 0.7912 0.7698 -0.0302 -0.0394 -0.0040 169 SER B CA +5677 C C . SER B 168 ? 0.6947 0.7468 0.7252 -0.0317 -0.0421 -0.0059 169 SER B C +5678 O O . SER B 168 ? 0.7515 0.8061 0.7860 -0.0354 -0.0414 -0.0067 169 SER B O +5679 C CB . SER B 168 ? 0.6393 0.6797 0.6591 -0.0289 -0.0395 -0.0024 169 SER B CB +5680 O OG . SER B 168 ? 0.7169 0.7563 0.7337 -0.0255 -0.0423 -0.0028 169 SER B OG +5681 N N . ASP B 169 ? 0.7074 0.7592 0.7358 -0.0290 -0.0454 -0.0067 170 ASP B N +5682 C CA . ASP B 169 ? 0.7333 0.7865 0.7627 -0.0299 -0.0484 -0.0084 170 ASP B CA +5683 C C . ASP B 169 ? 0.7955 0.8411 0.8194 -0.0318 -0.0484 -0.0076 170 ASP B C +5684 O O . ASP B 169 ? 0.6835 0.7230 0.7026 -0.0317 -0.0464 -0.0058 170 ASP B O +5685 C CB . ASP B 169 ? 0.7227 0.7777 0.7510 -0.0258 -0.0518 -0.0093 170 ASP B CB +5686 C CG . ASP B 169 ? 0.6392 0.6871 0.6599 -0.0228 -0.0521 -0.0077 170 ASP B CG +5687 O OD1 . ASP B 169 ? 0.7400 0.7867 0.7592 -0.0209 -0.0502 -0.0063 170 ASP B OD1 +5688 O OD2 . ASP B 169 ? 0.7132 0.7562 0.7291 -0.0226 -0.0540 -0.0077 170 ASP B OD2 +5689 N N . PRO B 170 ? 0.7355 0.7813 0.7598 -0.0335 -0.0507 -0.0090 171 PRO B N +5690 C CA . PRO B 170 ? 0.7181 0.7567 0.7373 -0.0354 -0.0506 -0.0084 171 PRO B CA +5691 C C . PRO B 170 ? 0.6960 0.7275 0.7076 -0.0325 -0.0512 -0.0070 171 PRO B C +5692 O O . PRO B 170 ? 0.6578 0.6832 0.6651 -0.0340 -0.0506 -0.0062 171 PRO B O +5693 C CB . PRO B 170 ? 0.6684 0.7095 0.6898 -0.0370 -0.0536 -0.0105 171 PRO B CB +5694 C CG . PRO B 170 ? 0.7084 0.7583 0.7376 -0.0378 -0.0539 -0.0121 171 PRO B CG +5695 C CD . PRO B 170 ? 0.6616 0.7144 0.6917 -0.0342 -0.0533 -0.0114 171 PRO B CD +5696 N N . TYR B 171 ? 0.6163 0.6484 0.6261 -0.0287 -0.0525 -0.0068 172 TYR B N +5697 C CA . TYR B 171 ? 0.6551 0.6806 0.6577 -0.0261 -0.0531 -0.0056 172 TYR B CA +5698 C C . TYR B 171 ? 0.6417 0.6647 0.6419 -0.0242 -0.0508 -0.0037 172 TYR B C +5699 O O . TYR B 171 ? 0.7041 0.7219 0.6986 -0.0219 -0.0511 -0.0027 172 TYR B O +5700 C CB . TYR B 171 ? 0.6306 0.6569 0.6314 -0.0232 -0.0568 -0.0067 172 TYR B CB +5701 C CG . TYR B 171 ? 0.7627 0.7897 0.7646 -0.0254 -0.0589 -0.0084 172 TYR B CG +5702 C CD1 . TYR B 171 ? 0.6724 0.6929 0.6692 -0.0267 -0.0589 -0.0079 172 TYR B CD1 +5703 C CD2 . TYR B 171 ? 0.7291 0.7634 0.7375 -0.0267 -0.0605 -0.0104 172 TYR B CD2 +5704 C CE1 . TYR B 171 ? 0.7766 0.7974 0.7742 -0.0290 -0.0607 -0.0094 172 TYR B CE1 +5705 C CE2 . TYR B 171 ? 0.6554 0.6901 0.6648 -0.0291 -0.0623 -0.0120 172 TYR B CE2 +5706 C CZ . TYR B 171 ? 0.7497 0.7775 0.7535 -0.0302 -0.0624 -0.0114 172 TYR B CZ +5707 O OH . TYR B 171 ? 0.7497 0.7773 0.7540 -0.0326 -0.0642 -0.0130 172 TYR B OH +5708 N N . GLY B 172 ? 0.6426 0.6692 0.6470 -0.0251 -0.0484 -0.0033 173 GLY B N +5709 C CA . GLY B 172 ? 0.5732 0.5971 0.5752 -0.0237 -0.0460 -0.0016 173 GLY B CA +5710 C C . GLY B 172 ? 0.6546 0.6787 0.6545 -0.0195 -0.0473 -0.0014 173 GLY B C +5711 O O . GLY B 172 ? 0.6752 0.6941 0.6700 -0.0178 -0.0464 0.0000 173 GLY B O +5712 N N . LEU B 173 ? 0.7100 0.7400 0.7136 -0.0178 -0.0494 -0.0029 174 LEU B N +5713 C CA . LEU B 173 ? 0.6426 0.6729 0.6441 -0.0136 -0.0510 -0.0029 174 LEU B CA +5714 C C . LEU B 173 ? 0.6554 0.6908 0.6611 -0.0121 -0.0496 -0.0029 174 LEU B C +5715 O O . LEU B 173 ? 0.6545 0.6880 0.6571 -0.0088 -0.0496 -0.0021 174 LEU B O +5716 C CB . LEU B 173 ? 0.6859 0.7187 0.6879 -0.0120 -0.0547 -0.0045 174 LEU B CB +5717 C CG . LEU B 173 ? 0.7439 0.7709 0.7407 -0.0129 -0.0563 -0.0045 174 LEU B CG +5718 C CD1 . LEU B 173 ? 0.7550 0.7847 0.7522 -0.0112 -0.0601 -0.0062 174 LEU B CD1 +5719 C CD2 . LEU B 173 ? 0.7719 0.7910 0.7612 -0.0111 -0.0553 -0.0027 174 LEU B CD2 +5720 N N . THR B 174 ? 0.7374 0.7790 0.7497 -0.0143 -0.0484 -0.0037 175 THR B N +5721 C CA . THR B 174 ? 0.7260 0.7738 0.7431 -0.0127 -0.0475 -0.0042 175 THR B CA +5722 C C . THR B 174 ? 0.7165 0.7657 0.7367 -0.0155 -0.0438 -0.0034 175 THR B C +5723 O O . THR B 174 ? 0.7866 0.8427 0.8131 -0.0162 -0.0429 -0.0044 175 THR B O +5724 C CB . THR B 174 ? 0.8259 0.8817 0.8491 -0.0122 -0.0500 -0.0064 175 THR B CB +5725 O OG1 . THR B 174 ? 0.7757 0.8346 0.8035 -0.0164 -0.0495 -0.0073 175 THR B OG1 +5726 C CG2 . THR B 174 ? 0.7221 0.7763 0.7419 -0.0095 -0.0538 -0.0071 175 THR B CG2 +5727 N N . GLY B 175 ? 0.7494 0.7923 0.7653 -0.0171 -0.0416 -0.0018 176 GLY B N +5728 C CA . GLY B 175 ? 0.7385 0.7821 0.7568 -0.0199 -0.0383 -0.0011 176 GLY B CA +5729 C C . GLY B 175 ? 0.7244 0.7709 0.7446 -0.0181 -0.0362 -0.0006 176 GLY B C +5730 O O . GLY B 175 ? 0.7314 0.7763 0.7486 -0.0146 -0.0367 -0.0001 176 GLY B O +5731 N N . SER B 176 ? 0.7080 0.7583 0.7328 -0.0206 -0.0337 -0.0007 177 SER B N +5732 C CA . SER B 176 ? 0.6776 0.7304 0.7041 -0.0192 -0.0312 -0.0002 177 SER B CA +5733 C C . SER B 176 ? 0.6474 0.7022 0.6774 -0.0230 -0.0281 0.0000 177 SER B C +5734 O O . SER B 176 ? 0.7094 0.7641 0.7410 -0.0264 -0.0280 -0.0003 177 SER B O +5735 C CB . SER B 176 ? 0.6869 0.7467 0.7177 -0.0162 -0.0327 -0.0017 177 SER B CB +5736 O OG . SER B 176 ? 0.7733 0.8404 0.8110 -0.0180 -0.0336 -0.0035 177 SER B OG +5737 N N . VAL B 177 ? 0.6503 0.7064 0.6811 -0.0222 -0.0254 0.0007 178 VAL B N +5738 C CA . VAL B 177 ? 0.6573 0.7155 0.6914 -0.0254 -0.0222 0.0009 178 VAL B CA +5739 C C . VAL B 177 ? 0.6650 0.7325 0.7070 -0.0259 -0.0222 -0.0009 178 VAL B C +5740 O O . VAL B 177 ? 0.6818 0.7540 0.7262 -0.0228 -0.0229 -0.0017 178 VAL B O +5741 C CB . VAL B 177 ? 0.7498 0.8048 0.7807 -0.0244 -0.0192 0.0025 178 VAL B CB +5742 C CG1 . VAL B 177 ? 0.6291 0.6861 0.6631 -0.0278 -0.0158 0.0028 178 VAL B CG1 +5743 C CG2 . VAL B 177 ? 0.6639 0.7100 0.6873 -0.0239 -0.0195 0.0041 178 VAL B CG2 +5744 N N . GLN B 178 ? 0.6197 0.6899 0.6658 -0.0299 -0.0214 -0.0016 179 GLN B N +5745 C CA . GLN B 178 ? 0.7446 0.8239 0.7988 -0.0310 -0.0215 -0.0035 179 GLN B CA +5746 C C . GLN B 178 ? 0.6028 0.6835 0.6601 -0.0353 -0.0180 -0.0032 179 GLN B C +5747 O O . GLN B 178 ? 0.6996 0.7745 0.7535 -0.0381 -0.0169 -0.0022 179 GLN B O +5748 C CB . GLN B 178 ? 0.7821 0.8640 0.8388 -0.0318 -0.0251 -0.0052 179 GLN B CB +5749 C CG . GLN B 178 ? 0.9907 1.0726 1.0453 -0.0276 -0.0287 -0.0058 179 GLN B CG +5750 C CD . GLN B 178 ? 1.2199 1.3083 1.2783 -0.0240 -0.0289 -0.0067 179 GLN B CD +5751 O OE1 . GLN B 178 ? 1.2709 1.3667 1.3360 -0.0251 -0.0273 -0.0078 179 GLN B OE1 +5752 N NE2 . GLN B 178 ? 1.2823 1.3680 1.3364 -0.0197 -0.0307 -0.0062 179 GLN B NE2 +5753 N N . PRO B 179 ? 0.8094 0.8977 0.8731 -0.0358 -0.0163 -0.0043 180 PRO B N +5754 C CA . PRO B 179 ? 0.7118 0.8025 0.7796 -0.0404 -0.0134 -0.0045 180 PRO B CA +5755 C C . PRO B 179 ? 0.6228 0.7142 0.6929 -0.0438 -0.0153 -0.0057 180 PRO B C +5756 O O . PRO B 179 ? 0.6977 0.7926 0.7702 -0.0426 -0.0188 -0.0072 180 PRO B O +5757 C CB . PRO B 179 ? 0.7122 0.8121 0.7871 -0.0396 -0.0118 -0.0057 180 PRO B CB +5758 C CG . PRO B 179 ? 0.8259 0.9297 0.9021 -0.0352 -0.0150 -0.0069 180 PRO B CG +5759 C CD . PRO B 179 ? 0.7576 0.8531 0.8257 -0.0323 -0.0171 -0.0055 180 PRO B CD +5760 N N . VAL B 180 ? 0.6271 0.7144 0.6958 -0.0479 -0.0133 -0.0049 181 VAL B N +5761 C CA . VAL B 180 ? 0.6663 0.7527 0.7361 -0.0514 -0.0149 -0.0058 181 VAL B CA +5762 C C . VAL B 180 ? 0.7013 0.7916 0.7765 -0.0560 -0.0119 -0.0064 181 VAL B C +5763 O O . VAL B 180 ? 0.6914 0.7789 0.7649 -0.0576 -0.0082 -0.0050 181 VAL B O +5764 C CB . VAL B 180 ? 0.7179 0.7944 0.7800 -0.0520 -0.0155 -0.0042 181 VAL B CB +5765 C CG1 . VAL B 180 ? 0.6394 0.7149 0.7026 -0.0555 -0.0172 -0.0053 181 VAL B CG1 +5766 C CG2 . VAL B 180 ? 0.6993 0.7720 0.7561 -0.0476 -0.0180 -0.0035 181 VAL B CG2 +5767 N N . ALA B 181 ? 0.6919 0.7884 0.7733 -0.0582 -0.0135 -0.0085 182 ALA B N +5768 C CA . ALA B 181 ? 0.7331 0.8334 0.8199 -0.0630 -0.0110 -0.0094 182 ALA B CA +5769 C C . ALA B 181 ? 0.6952 0.7884 0.7783 -0.0670 -0.0108 -0.0087 182 ALA B C +5770 O O . ALA B 181 ? 0.7560 0.8445 0.8351 -0.0663 -0.0137 -0.0088 182 ALA B O +5771 C CB . ALA B 181 ? 0.6733 0.7838 0.7689 -0.0637 -0.0130 -0.0121 182 ALA B CB +5772 N N . PRO B 182 ? 0.7404 0.8326 0.8247 -0.0711 -0.0072 -0.0082 183 PRO B N +5773 C CA . PRO B 182 ? 0.5909 0.6761 0.6715 -0.0749 -0.0069 -0.0077 183 PRO B CA +5774 C C . PRO B 182 ? 0.7910 0.8796 0.8759 -0.0774 -0.0098 -0.0099 183 PRO B C +5775 O O . PRO B 182 ? 0.7899 0.8874 0.8822 -0.0780 -0.0108 -0.0120 183 PRO B O +5776 C CB . PRO B 182 ? 0.7368 0.8213 0.8184 -0.0786 -0.0021 -0.0067 183 PRO B CB +5777 C CG . PRO B 182 ? 0.6220 0.7156 0.7103 -0.0777 -0.0004 -0.0076 183 PRO B CG +5778 C CD . PRO B 182 ? 0.6604 0.7566 0.7482 -0.0723 -0.0030 -0.0078 183 PRO B CD +5779 N N . GLU B 183 ? 0.6772 0.7585 0.7569 -0.0786 -0.0115 -0.0095 184 GLU B N +5780 C CA . GLU B 183 ? 0.7154 0.7980 0.7979 -0.0816 -0.0139 -0.0115 184 GLU B CA +5781 C C . GLU B 183 ? 0.7277 0.8060 0.8095 -0.0868 -0.0109 -0.0110 184 GLU B C +5782 O O . GLU B 183 ? 0.8395 0.9089 0.9144 -0.0872 -0.0095 -0.0090 184 GLU B O +5783 C CB . GLU B 183 ? 0.6887 0.7661 0.7658 -0.0792 -0.0178 -0.0115 184 GLU B CB +5784 C CG . GLU B 183 ? 0.8431 0.9204 0.9217 -0.0822 -0.0204 -0.0134 184 GLU B CG +5785 C CD . GLU B 183 ? 0.8552 0.9429 0.9428 -0.0836 -0.0220 -0.0161 184 GLU B CD +5786 O OE1 . GLU B 183 ? 0.7944 0.8880 0.8847 -0.0799 -0.0244 -0.0171 184 GLU B OE1 +5787 O OE2 . GLU B 183 ? 0.8397 0.9294 0.9314 -0.0882 -0.0209 -0.0173 184 GLU B OE2 +5788 N N . TRP B 184 ? 0.8489 0.9334 0.9376 -0.0907 -0.0100 -0.0127 185 TRP B N +5789 C CA . TRP B 184 ? 0.8085 0.8893 0.8970 -0.0959 -0.0068 -0.0123 185 TRP B CA +5790 C C . TRP B 184 ? 0.7756 0.8538 0.8640 -0.0993 -0.0090 -0.0137 185 TRP B C +5791 O O . TRP B 184 ? 0.7723 0.8465 0.8599 -0.1037 -0.0066 -0.0134 185 TRP B O +5792 C CB . TRP B 184 ? 0.6746 0.7633 0.7706 -0.0986 -0.0035 -0.0131 185 TRP B CB +5793 C CG . TRP B 184 ? 0.8257 0.9156 0.9209 -0.0959 -0.0005 -0.0115 185 TRP B CG +5794 C CD1 . TRP B 184 ? 0.6506 0.7490 0.7510 -0.0930 -0.0006 -0.0123 185 TRP B CD1 +5795 C CD2 . TRP B 184 ? 0.5994 0.6816 0.6881 -0.0957 0.0030 -0.0087 185 TRP B CD2 +5796 N NE1 . TRP B 184 ? 0.7825 0.8789 0.8800 -0.0911 0.0027 -0.0102 185 TRP B NE1 +5797 C CE2 . TRP B 184 ? 0.6583 0.7447 0.7485 -0.0928 0.0049 -0.0081 185 TRP B CE2 +5798 C CE3 . TRP B 184 ? 0.8094 0.8813 0.8908 -0.0976 0.0046 -0.0069 185 TRP B CE3 +5799 C CZ2 . TRP B 184 ? 0.6915 0.7724 0.7763 -0.0918 0.0082 -0.0056 185 TRP B CZ2 +5800 C CZ3 . TRP B 184 ? 0.6784 0.7450 0.7546 -0.0966 0.0079 -0.0044 185 TRP B CZ3 +5801 C CH2 . TRP B 184 ? 0.6503 0.7214 0.7282 -0.0937 0.0096 -0.0039 185 TRP B CH2 +5802 N N . GLY B 185 ? 0.7659 0.8459 0.8547 -0.0974 -0.0135 -0.0153 186 GLY B N +5803 C CA . GLY B 185 ? 0.6751 0.7522 0.7632 -0.1002 -0.0159 -0.0167 186 GLY B CA +5804 C C . GLY B 185 ? 0.8195 0.8857 0.8984 -0.0989 -0.0169 -0.0151 186 GLY B C +5805 O O . GLY B 185 ? 0.9282 0.9889 1.0013 -0.0961 -0.0155 -0.0128 186 GLY B O +5806 N N . PRO B 186 ? 0.7537 0.8165 0.8310 -0.1009 -0.0193 -0.0163 187 PRO B N +5807 C CA . PRO B 186 ? 0.9660 1.0183 1.0346 -0.0999 -0.0201 -0.0148 187 PRO B CA +5808 C C . PRO B 186 ? 0.7026 0.7528 0.7665 -0.0944 -0.0225 -0.0139 187 PRO B C +5809 O O . PRO B 186 ? 0.7514 0.7932 0.8081 -0.0931 -0.0224 -0.0122 187 PRO B O +5810 C CB . PRO B 186 ? 0.8358 0.8867 0.9051 -0.1032 -0.0225 -0.0169 187 PRO B CB +5811 C CG . PRO B 186 ? 0.7776 0.8390 0.8553 -0.1039 -0.0246 -0.0195 187 PRO B CG +5812 C CD . PRO B 186 ? 0.7997 0.8678 0.8830 -0.1044 -0.0213 -0.0191 187 PRO B CD +5813 N N . ASP B 187 ? 0.7048 0.7621 0.7725 -0.0912 -0.0248 -0.0149 188 ASP B N +5814 C CA . ASP B 187 ? 0.6690 0.7241 0.7320 -0.0861 -0.0268 -0.0139 188 ASP B CA +5815 C C . ASP B 187 ? 0.8400 0.8922 0.8996 -0.0837 -0.0238 -0.0113 188 ASP B C +5816 O O . ASP B 187 ? 0.6849 0.7334 0.7394 -0.0799 -0.0249 -0.0101 188 ASP B O +5817 C CB . ASP B 187 ? 0.6312 0.6946 0.6991 -0.0834 -0.0301 -0.0158 188 ASP B CB +5818 C CG . ASP B 187 ? 0.7448 0.8051 0.8074 -0.0786 -0.0330 -0.0152 188 ASP B CG +5819 O OD1 . ASP B 187 ? 0.7448 0.7979 0.8015 -0.0785 -0.0344 -0.0148 188 ASP B OD1 +5820 O OD2 . ASP B 187 ? 0.7943 0.8592 0.8585 -0.0749 -0.0339 -0.0152 188 ASP B OD2 +5821 N N . GLY B 188 ? 0.6637 0.7175 0.7259 -0.0860 -0.0201 -0.0106 189 GLY B N +5822 C CA . GLY B 188 ? 0.6447 0.6950 0.7031 -0.0841 -0.0171 -0.0082 189 GLY B CA +5823 C C . GLY B 188 ? 0.7659 0.8058 0.8160 -0.0837 -0.0165 -0.0062 189 GLY B C +5824 O O . GLY B 188 ? 0.7943 0.8308 0.8404 -0.0813 -0.0149 -0.0042 189 GLY B O +5825 N N . PHE B 189 ? 0.6184 0.6534 0.6660 -0.0859 -0.0178 -0.0068 190 PHE B N +5826 C CA . PHE B 189 ? 0.7420 0.7673 0.7819 -0.0854 -0.0175 -0.0051 190 PHE B CA +5827 C C . PHE B 189 ? 0.7722 0.7950 0.8083 -0.0821 -0.0210 -0.0054 190 PHE B C +5828 O O . PHE B 189 ? 0.6735 0.6887 0.7035 -0.0816 -0.0213 -0.0043 190 PHE B O +5829 C CB . PHE B 189 ? 0.6875 0.7080 0.7263 -0.0900 -0.0162 -0.0053 190 PHE B CB +5830 C CG . PHE B 189 ? 0.7082 0.7305 0.7502 -0.0934 -0.0124 -0.0049 190 PHE B CG +5831 C CD1 . PHE B 189 ? 0.7073 0.7249 0.7455 -0.0931 -0.0091 -0.0026 190 PHE B CD1 +5832 C CD2 . PHE B 189 ? 0.7294 0.7583 0.7784 -0.0969 -0.0121 -0.0068 190 PHE B CD2 +5833 C CE1 . PHE B 189 ? 0.7613 0.7803 0.8020 -0.0961 -0.0054 -0.0021 190 PHE B CE1 +5834 C CE2 . PHE B 189 ? 0.7735 0.8041 0.8255 -0.1001 -0.0084 -0.0064 190 PHE B CE2 +5835 C CZ . PHE B 189 ? 0.7594 0.7849 0.8070 -0.0997 -0.0050 -0.0040 190 PHE B CZ +5836 N N . ASN B 190 ? 0.6203 0.6494 0.6599 -0.0800 -0.0238 -0.0069 191 ASN B N +5837 C CA . ASN B 190 ? 0.7361 0.7634 0.7721 -0.0763 -0.0270 -0.0070 191 ASN B CA +5838 C C . ASN B 190 ? 0.6848 0.7096 0.7169 -0.0725 -0.0259 -0.0050 191 ASN B C +5839 O O . ASN B 190 ? 0.6872 0.7170 0.7224 -0.0711 -0.0248 -0.0047 191 ASN B O +5840 C CB . ASN B 190 ? 0.7447 0.7798 0.7859 -0.0753 -0.0301 -0.0093 191 ASN B CB +5841 C CG . ASN B 190 ? 0.7838 0.8175 0.8214 -0.0713 -0.0335 -0.0095 191 ASN B CG +5842 O OD1 . ASN B 190 ? 0.6822 0.7100 0.7139 -0.0689 -0.0333 -0.0079 191 ASN B OD1 +5843 N ND2 . ASN B 190 ? 0.7131 0.7524 0.7544 -0.0707 -0.0366 -0.0116 191 ASN B ND2 +5844 N N . PRO B 191 ? 0.6983 0.7159 0.7238 -0.0708 -0.0263 -0.0036 192 PRO B N +5845 C CA . PRO B 191 ? 0.6886 0.7038 0.7105 -0.0675 -0.0251 -0.0017 192 PRO B CA +5846 C C . PRO B 191 ? 0.6136 0.6337 0.6371 -0.0638 -0.0269 -0.0021 192 PRO B C +5847 O O . PRO B 191 ? 0.6850 0.7050 0.7071 -0.0614 -0.0255 -0.0008 192 PRO B O +5848 C CB . PRO B 191 ? 0.6619 0.6689 0.6769 -0.0666 -0.0257 -0.0007 192 PRO B CB +5849 C CG . PRO B 191 ? 0.7559 0.7621 0.7711 -0.0683 -0.0281 -0.0024 192 PRO B CG +5850 C CD . PRO B 191 ? 0.6331 0.6443 0.6542 -0.0719 -0.0276 -0.0039 192 PRO B CD +5851 N N . TYR B 192 ? 0.6703 0.6949 0.6967 -0.0632 -0.0298 -0.0040 193 TYR B N +5852 C CA . TYR B 192 ? 0.6564 0.6855 0.6841 -0.0595 -0.0318 -0.0045 193 TYR B CA +5853 C C . TYR B 192 ? 0.7108 0.7485 0.7455 -0.0598 -0.0313 -0.0056 193 TYR B C +5854 O O . TYR B 192 ? 0.7289 0.7709 0.7652 -0.0567 -0.0329 -0.0061 193 TYR B O +5855 C CB . TYR B 192 ? 0.6610 0.6896 0.6872 -0.0583 -0.0355 -0.0059 193 TYR B CB +5856 C CG . TYR B 192 ? 0.6597 0.6801 0.6788 -0.0574 -0.0359 -0.0047 193 TYR B CG +5857 C CD1 . TYR B 192 ? 0.6783 0.6954 0.6929 -0.0540 -0.0358 -0.0033 193 TYR B CD1 +5858 C CD2 . TYR B 192 ? 0.5879 0.6038 0.6050 -0.0602 -0.0361 -0.0051 193 TYR B CD2 +5859 C CE1 . TYR B 192 ? 0.7248 0.7347 0.7332 -0.0533 -0.0360 -0.0023 193 TYR B CE1 +5860 C CE2 . TYR B 192 ? 0.7079 0.7165 0.7187 -0.0593 -0.0363 -0.0041 193 TYR B CE2 +5861 C CZ . TYR B 192 ? 0.7680 0.7737 0.7746 -0.0558 -0.0362 -0.0027 193 TYR B CZ +5862 O OH . TYR B 192 ? 0.7065 0.7055 0.7072 -0.0549 -0.0363 -0.0017 193 TYR B OH +5863 N N . ASN B 193 ? 0.6596 0.7000 0.6986 -0.0633 -0.0290 -0.0059 194 ASN B N +5864 C CA . ASN B 193 ? 0.7439 0.7929 0.7899 -0.0637 -0.0283 -0.0071 194 ASN B CA +5865 C C . ASN B 193 ? 0.7009 0.7498 0.7466 -0.0629 -0.0249 -0.0053 194 ASN B C +5866 O O . ASN B 193 ? 0.7126 0.7584 0.7574 -0.0656 -0.0218 -0.0043 194 ASN B O +5867 C CB . ASN B 193 ? 0.7813 0.8337 0.8325 -0.0684 -0.0278 -0.0086 194 ASN B CB +5868 C CG . ASN B 193 ? 0.7416 0.8039 0.8010 -0.0688 -0.0277 -0.0103 194 ASN B CG +5869 O OD1 . ASN B 193 ? 0.8939 0.9595 0.9553 -0.0674 -0.0256 -0.0096 194 ASN B OD1 +5870 N ND2 . ASN B 193 ? 0.8221 0.8893 0.8862 -0.0708 -0.0299 -0.0126 194 ASN B ND2 +5871 N N . PRO B 194 ? 0.6461 0.6979 0.6920 -0.0591 -0.0252 -0.0050 195 PRO B N +5872 C CA . PRO B 194 ? 0.6217 0.6732 0.6671 -0.0582 -0.0219 -0.0034 195 PRO B CA +5873 C C . PRO B 194 ? 0.6183 0.6746 0.6692 -0.0615 -0.0189 -0.0038 195 PRO B C +5874 O O . PRO B 194 ? 0.6903 0.7442 0.7396 -0.0622 -0.0156 -0.0023 195 PRO B O +5875 C CB . PRO B 194 ? 0.5653 0.6203 0.6110 -0.0537 -0.0234 -0.0035 195 PRO B CB +5876 C CG . PRO B 194 ? 0.6261 0.6849 0.6741 -0.0526 -0.0272 -0.0054 195 PRO B CG +5877 C CD . PRO B 194 ? 0.6370 0.6919 0.6833 -0.0554 -0.0286 -0.0060 195 PRO B CD +5878 N N . GLY B 195 ? 0.6674 0.7306 0.7248 -0.0635 -0.0200 -0.0059 196 GLY B N +5879 C CA . GLY B 195 ? 0.6210 0.6892 0.6842 -0.0669 -0.0172 -0.0065 196 GLY B CA +5880 C C . GLY B 195 ? 0.6273 0.6894 0.6877 -0.0709 -0.0143 -0.0053 196 GLY B C +5881 O O . GLY B 195 ? 0.6880 0.7514 0.7504 -0.0728 -0.0108 -0.0046 196 GLY B O +5882 N N . GLY B 196 ? 0.6240 0.6793 0.6797 -0.0720 -0.0157 -0.0050 197 GLY B N +5883 C CA . GLY B 196 ? 0.5501 0.5987 0.6022 -0.0753 -0.0131 -0.0037 197 GLY B CA +5884 C C . GLY B 196 ? 0.7219 0.7650 0.7687 -0.0737 -0.0103 -0.0012 197 GLY B C +5885 O O . GLY B 196 ? 0.7118 0.7514 0.7572 -0.0764 -0.0072 -0.0001 197 GLY B O +5886 N N . VAL B 197 ? 0.6463 0.6885 0.6901 -0.0695 -0.0114 -0.0004 198 VAL B N +5887 C CA . VAL B 197 ? 0.5641 0.6016 0.6031 -0.0678 -0.0090 0.0018 198 VAL B CA +5888 C C . VAL B 197 ? 0.6930 0.7353 0.7360 -0.0688 -0.0056 0.0020 198 VAL B C +5889 O O . VAL B 197 ? 0.6424 0.6806 0.6825 -0.0700 -0.0025 0.0035 198 VAL B O +5890 C CB . VAL B 197 ? 0.6807 0.7167 0.7161 -0.0631 -0.0109 0.0024 198 VAL B CB +5891 C CG1 . VAL B 197 ? 0.5960 0.6279 0.6271 -0.0616 -0.0084 0.0045 198 VAL B CG1 +5892 C CG2 . VAL B 197 ? 0.6078 0.6387 0.6388 -0.0623 -0.0139 0.0024 198 VAL B CG2 +5893 N N . VAL B 198 ? 0.5707 0.6215 0.6201 -0.0680 -0.0062 0.0005 199 VAL B N +5894 C CA . VAL B 198 ? 0.7286 0.7847 0.7823 -0.0689 -0.0030 0.0004 199 VAL B CA +5895 C C . VAL B 198 ? 0.7067 0.7623 0.7625 -0.0739 -0.0003 0.0003 199 VAL B C +5896 O O . VAL B 198 ? 0.6435 0.6972 0.6981 -0.0753 0.0034 0.0016 199 VAL B O +5897 C CB . VAL B 198 ? 0.7244 0.7902 0.7850 -0.0670 -0.0045 -0.0015 199 VAL B CB +5898 C CG1 . VAL B 198 ? 0.6493 0.7210 0.7148 -0.0680 -0.0011 -0.0017 199 VAL B CG1 +5899 C CG2 . VAL B 198 ? 0.6759 0.7411 0.7336 -0.0620 -0.0072 -0.0012 199 VAL B CG2 +5900 N N . ALA B 199 ? 0.6580 0.7148 0.7166 -0.0768 -0.0020 -0.0012 200 ALA B N +5901 C CA . ALA B 199 ? 0.6234 0.6801 0.6844 -0.0818 0.0005 -0.0015 200 ALA B CA +5902 C C . ALA B 199 ? 0.7513 0.7983 0.8053 -0.0834 0.0028 0.0006 200 ALA B C +5903 O O . ALA B 199 ? 0.7340 0.7800 0.7884 -0.0864 0.0064 0.0013 200 ALA B O +5904 C CB . ALA B 199 ? 0.6122 0.6714 0.6770 -0.0844 -0.0022 -0.0037 200 ALA B CB +5905 N N . HIS B 200 ? 0.6780 0.7177 0.7254 -0.0814 0.0008 0.0016 201 HIS B N +5906 C CA . HIS B 200 ? 0.6912 0.7216 0.7317 -0.0824 0.0027 0.0037 201 HIS B CA +5907 C C . HIS B 200 ? 0.6871 0.7161 0.7255 -0.0816 0.0063 0.0054 201 HIS B C +5908 O O . HIS B 200 ? 0.6579 0.6823 0.6937 -0.0842 0.0092 0.0066 201 HIS B O +5909 C CB . HIS B 200 ? 0.6255 0.6495 0.6597 -0.0795 0.0000 0.0045 201 HIS B CB +5910 C CG . HIS B 200 ? 0.6586 0.6740 0.6857 -0.0792 0.0019 0.0067 201 HIS B CG +5911 N ND1 . HIS B 200 ? 0.7204 0.7289 0.7437 -0.0819 0.0026 0.0073 201 HIS B ND1 +5912 C CD2 . HIS B 200 ? 0.5996 0.6121 0.6227 -0.0765 0.0033 0.0084 201 HIS B CD2 +5913 C CE1 . HIS B 200 ? 0.7059 0.7079 0.7233 -0.0808 0.0042 0.0093 201 HIS B CE1 +5914 N NE2 . HIS B 200 ? 0.6452 0.6496 0.6624 -0.0776 0.0047 0.0100 201 HIS B NE2 +5915 N N . HIS B 201 ? 0.6648 0.6972 0.7036 -0.0779 0.0060 0.0057 202 HIS B N +5916 C CA . HIS B 201 ? 0.7182 0.7483 0.7539 -0.0768 0.0092 0.0075 202 HIS B CA +5917 C C . HIS B 201 ? 0.6579 0.6928 0.6984 -0.0796 0.0128 0.0072 202 HIS B C +5918 O O . HIS B 201 ? 0.6780 0.7090 0.7152 -0.0806 0.0161 0.0087 202 HIS B O +5919 C CB . HIS B 201 ? 0.5733 0.6049 0.6076 -0.0719 0.0079 0.0079 202 HIS B CB +5920 C CG . HIS B 201 ? 0.7939 0.8187 0.8218 -0.0694 0.0055 0.0089 202 HIS B CG +5921 N ND1 . HIS B 201 ? 0.5660 0.5916 0.5942 -0.0676 0.0017 0.0079 202 HIS B ND1 +5922 C CD2 . HIS B 201 ? 0.5174 0.5345 0.5385 -0.0684 0.0063 0.0108 202 HIS B CD2 +5923 C CE1 . HIS B 201 ? 0.6859 0.7046 0.7078 -0.0657 0.0006 0.0091 202 HIS B CE1 +5924 N NE2 . HIS B 201 ? 0.6366 0.6504 0.6543 -0.0661 0.0032 0.0108 202 HIS B NE2 +5925 N N . ILE B 202 ? 0.7174 0.7609 0.7655 -0.0809 0.0123 0.0052 203 ILE B N +5926 C CA . ILE B 202 ? 0.7729 0.8214 0.8261 -0.0840 0.0159 0.0047 203 ILE B CA +5927 C C . ILE B 202 ? 0.6496 0.6929 0.7011 -0.0888 0.0181 0.0052 203 ILE B C +5928 O O . ILE B 202 ? 0.7471 0.7882 0.7971 -0.0908 0.0220 0.0064 203 ILE B O +5929 C CB . ILE B 202 ? 0.8013 0.8605 0.8635 -0.0843 0.0144 0.0022 203 ILE B CB +5930 C CG1 . ILE B 202 ? 0.6174 0.6816 0.6811 -0.0794 0.0131 0.0019 203 ILE B CG1 +5931 C CG2 . ILE B 202 ? 0.7302 0.7944 0.7982 -0.0885 0.0180 0.0014 203 ILE B CG2 +5932 C CD1 . ILE B 202 ? 0.6588 0.7327 0.7304 -0.0787 0.0106 -0.0006 203 ILE B CD1 +5933 N N . ALA B 203 ? 0.6828 0.7234 0.7338 -0.0907 0.0156 0.0044 204 ALA B N +5934 C CA . ALA B 203 ? 0.5810 0.6171 0.6310 -0.0954 0.0174 0.0046 204 ALA B CA +5935 C C . ALA B 203 ? 0.7058 0.7312 0.7470 -0.0953 0.0189 0.0070 204 ALA B C +5936 O O . ALA B 203 ? 0.7699 0.7916 0.8092 -0.0984 0.0223 0.0080 204 ALA B O +5937 C CB . ALA B 203 ? 0.6726 0.7098 0.7252 -0.0972 0.0140 0.0027 204 ALA B CB +5938 N N . ALA B 204 ? 0.7606 0.7808 0.7962 -0.0918 0.0163 0.0079 205 ALA B N +5939 C CA . ALA B 204 ? 0.7854 0.7959 0.8128 -0.0913 0.0177 0.0101 205 ALA B CA +5940 C C . ALA B 204 ? 0.7533 0.7631 0.7785 -0.0902 0.0212 0.0118 205 ALA B C +5941 O O . ALA B 204 ? 0.6665 0.6692 0.6862 -0.0914 0.0236 0.0135 205 ALA B O +5942 C CB . ALA B 204 ? 0.7343 0.7402 0.7566 -0.0876 0.0143 0.0107 205 ALA B CB +5943 N N . GLY B 205 ? 0.7101 0.7268 0.7391 -0.0878 0.0214 0.0113 206 GLY B N +5944 C CA . GLY B 205 ? 0.7256 0.7420 0.7528 -0.0869 0.0248 0.0127 206 GLY B CA +5945 C C . GLY B 205 ? 0.7191 0.7361 0.7483 -0.0911 0.0290 0.0129 206 GLY B C +5946 O O . GLY B 205 ? 0.7246 0.7360 0.7487 -0.0916 0.0320 0.0147 206 GLY B O +5947 N N . ILE B 206 ? 0.7579 0.7815 0.7943 -0.0943 0.0292 0.0110 207 ILE B N +5948 C CA . ILE B 206 ? 0.7442 0.7685 0.7829 -0.0989 0.0332 0.0110 207 ILE B CA +5949 C C . ILE B 206 ? 0.7270 0.7414 0.7593 -0.1018 0.0343 0.0124 207 ILE B C +5950 O O . ILE B 206 ? 0.7432 0.7534 0.7724 -0.1038 0.0382 0.0138 207 ILE B O +5951 C CB . ILE B 206 ? 0.8042 0.8379 0.8524 -0.1018 0.0326 0.0085 207 ILE B CB +5952 C CG1 . ILE B 206 ? 0.8705 0.9141 0.9249 -0.0994 0.0330 0.0074 207 ILE B CG1 +5953 C CG2 . ILE B 206 ? 0.8269 0.8595 0.8768 -0.1075 0.0361 0.0083 207 ILE B CG2 +5954 C CD1 . ILE B 206 ? 0.9859 1.0389 1.0489 -0.0997 0.0301 0.0047 207 ILE B CD1 +5955 N N . VAL B 207 ? 0.7089 0.7192 0.7391 -0.1018 0.0311 0.0120 208 VAL B N +5956 C CA . VAL B 207 ? 0.6047 0.6052 0.6285 -0.1041 0.0319 0.0133 208 VAL B CA +5957 C C . VAL B 207 ? 0.7329 0.7255 0.7483 -0.1016 0.0334 0.0158 208 VAL B C +5958 O O . VAL B 207 ? 0.7535 0.7393 0.7642 -0.1039 0.0362 0.0172 208 VAL B O +5959 C CB . VAL B 207 ? 0.7977 0.7955 0.8206 -0.1040 0.0278 0.0123 208 VAL B CB +5960 C CG1 . VAL B 207 ? 0.7603 0.7470 0.7749 -0.1044 0.0280 0.0140 208 VAL B CG1 +5961 C CG2 . VAL B 207 ? 0.6933 0.6965 0.7230 -0.1080 0.0272 0.0100 208 VAL B CG2 +5962 N N . GLY B 208 ? 0.7299 0.7233 0.7435 -0.0969 0.0316 0.0163 209 GLY B N +5963 C CA . GLY B 208 ? 0.6684 0.6547 0.6743 -0.0944 0.0328 0.0185 209 GLY B CA +5964 C C . GLY B 208 ? 0.7302 0.7170 0.7355 -0.0953 0.0372 0.0196 209 GLY B C +5965 O O . GLY B 208 ? 0.7995 0.7788 0.7979 -0.0952 0.0392 0.0215 209 GLY B O +5966 N N . ILE B 209 ? 0.7776 0.7733 0.7899 -0.0960 0.0386 0.0184 210 ILE B N +5967 C CA . ILE B 209 ? 0.7203 0.7171 0.7327 -0.0974 0.0432 0.0192 210 ILE B CA +5968 C C . ILE B 209 ? 0.7777 0.7692 0.7880 -0.1023 0.0463 0.0199 210 ILE B C +5969 O O . ILE B 209 ? 0.8124 0.7972 0.8165 -0.1027 0.0492 0.0218 210 ILE B O +5970 C CB . ILE B 209 ? 0.8168 0.8247 0.8379 -0.0975 0.0440 0.0175 210 ILE B CB +5971 C CG1 . ILE B 209 ? 0.7271 0.7389 0.7486 -0.0923 0.0416 0.0172 210 ILE B CG1 +5972 C CG2 . ILE B 209 ? 0.8865 0.8958 0.9084 -0.1000 0.0491 0.0181 210 ILE B CG2 +5973 C CD1 . ILE B 209 ? 0.7296 0.7526 0.7600 -0.0917 0.0410 0.0152 210 ILE B CD1 +5974 N N . ILE B 210 ? 0.7300 0.7240 0.7451 -0.1059 0.0456 0.0184 211 ILE B N +5975 C CA . ILE B 210 ? 0.7289 0.7178 0.7423 -0.1108 0.0485 0.0188 211 ILE B CA +5976 C C . ILE B 210 ? 0.8094 0.7864 0.8131 -0.1102 0.0482 0.0209 211 ILE B C +5977 O O . ILE B 210 ? 0.7555 0.7261 0.7540 -0.1120 0.0517 0.0226 211 ILE B O +5978 C CB . ILE B 210 ? 0.7339 0.7275 0.7541 -0.1145 0.0469 0.0166 211 ILE B CB +5979 C CG1 . ILE B 210 ? 0.7504 0.7557 0.7804 -0.1159 0.0481 0.0146 211 ILE B CG1 +5980 C CG2 . ILE B 210 ? 0.8397 0.8261 0.8567 -0.1193 0.0492 0.0172 211 ILE B CG2 +5981 C CD1 . ILE B 210 ? 0.8259 0.8374 0.8632 -0.1184 0.0455 0.0121 211 ILE B CD1 +5982 N N . ALA B 211 ? 0.6632 0.6370 0.6641 -0.1076 0.0441 0.0208 212 ALA B N +5983 C CA . ALA B 211 ? 0.7187 0.6815 0.7108 -0.1069 0.0437 0.0226 212 ALA B CA +5984 C C . ALA B 211 ? 0.6746 0.6326 0.6600 -0.1038 0.0453 0.0247 212 ALA B C +5985 O O . ALA B 211 ? 0.7915 0.7404 0.7695 -0.1043 0.0469 0.0265 212 ALA B O +5986 C CB . ALA B 211 ? 0.7473 0.7086 0.7384 -0.1045 0.0389 0.0219 212 ALA B CB +5987 N N . GLY B 212 ? 0.7518 0.7155 0.7394 -0.1005 0.0450 0.0246 213 GLY B N +5988 C CA . GLY B 212 ? 0.7020 0.6618 0.6837 -0.0978 0.0469 0.0265 213 GLY B CA +5989 C C . GLY B 212 ? 0.8686 0.8259 0.8483 -0.1008 0.0519 0.0276 213 GLY B C +5990 O O . GLY B 212 ? 0.7479 0.6973 0.7199 -0.1001 0.0536 0.0296 213 GLY B O +5991 N N . LEU B 213 ? 0.7642 0.7283 0.7508 -0.1043 0.0543 0.0264 214 LEU B N +5992 C CA . LEU B 213 ? 0.8116 0.7734 0.7965 -0.1076 0.0593 0.0274 214 LEU B CA +5993 C C . LEU B 213 ? 0.8293 0.7812 0.8082 -0.1107 0.0604 0.0286 214 LEU B C +5994 O O . LEU B 213 ? 0.8380 0.7826 0.8099 -0.1111 0.0635 0.0306 214 LEU B O +5995 C CB . LEU B 213 ? 0.8642 0.8358 0.8584 -0.1110 0.0615 0.0256 214 LEU B CB +5996 C CG . LEU B 213 ? 0.9129 0.8938 0.9124 -0.1079 0.0615 0.0247 214 LEU B CG +5997 C CD1 . LEU B 213 ? 0.9529 0.9443 0.9627 -0.1109 0.0625 0.0225 214 LEU B CD1 +5998 C CD2 . LEU B 213 ? 0.8601 0.8381 0.8545 -0.1065 0.0653 0.0265 214 LEU B CD2 +5999 N N . PHE B 214 ? 0.7468 0.6978 0.7275 -0.1125 0.0579 0.0275 215 PHE B N +6000 C CA . PHE B 214 ? 0.6974 0.6384 0.6719 -0.1150 0.0585 0.0286 215 PHE B CA +6001 C C . PHE B 214 ? 0.8304 0.7616 0.7948 -0.1115 0.0578 0.0309 215 PHE B C +6002 O O . PHE B 214 ? 0.8478 0.7707 0.8055 -0.1129 0.0606 0.0326 215 PHE B O +6003 C CB . PHE B 214 ? 0.7004 0.6420 0.6781 -0.1166 0.0551 0.0270 215 PHE B CB +6004 C CG . PHE B 214 ? 0.7955 0.7261 0.7659 -0.1178 0.0548 0.0281 215 PHE B CG +6005 C CD1 . PHE B 214 ? 0.8723 0.7981 0.8411 -0.1227 0.0581 0.0285 215 PHE B CD1 +6006 C CD2 . PHE B 214 ? 0.7224 0.6470 0.6870 -0.1141 0.0513 0.0289 215 PHE B CD2 +6007 C CE1 . PHE B 214 ? 0.8490 0.7642 0.8107 -0.1237 0.0578 0.0296 215 PHE B CE1 +6008 C CE2 . PHE B 214 ? 0.7479 0.6623 0.7056 -0.1151 0.0511 0.0299 215 PHE B CE2 +6009 C CZ . PHE B 214 ? 0.9811 0.8906 0.9372 -0.1198 0.0543 0.0303 215 PHE B CZ +6010 N N . HIS B 215 ? 0.9095 0.8414 0.8728 -0.1069 0.0540 0.0308 216 HIS B N +6011 C CA . HIS B 215 ? 0.8624 0.7853 0.8166 -0.1035 0.0530 0.0327 216 HIS B CA +6012 C C . HIS B 215 ? 0.8692 0.7901 0.8188 -0.1017 0.0558 0.0344 216 HIS B C +6013 O O . HIS B 215 ? 0.8098 0.7221 0.7510 -0.0997 0.0559 0.0362 216 HIS B O +6014 C CB . HIS B 215 ? 0.8094 0.7339 0.7640 -0.0994 0.0481 0.0320 216 HIS B CB +6015 C CG . HIS B 215 ? 0.6469 0.5687 0.6018 -0.1004 0.0452 0.0311 216 HIS B CG +6016 N ND1 . HIS B 215 ? 0.7180 0.6299 0.6657 -0.1005 0.0448 0.0323 216 HIS B ND1 +6017 C CD2 . HIS B 215 ? 0.6404 0.5679 0.6017 -0.1014 0.0426 0.0291 216 HIS B CD2 +6018 C CE1 . HIS B 215 ? 0.7156 0.6273 0.6653 -0.1015 0.0421 0.0311 216 HIS B CE1 +6019 N NE2 . HIS B 215 ? 0.7543 0.6753 0.7122 -0.1021 0.0408 0.0291 216 HIS B NE2 +6020 N N . ILE B 216 ? 0.7290 0.6573 0.6835 -0.1022 0.0582 0.0338 217 ILE B N +6021 C CA . ILE B 216 ? 0.7288 0.6545 0.6785 -0.1012 0.0617 0.0355 217 ILE B CA +6022 C C . ILE B 216 ? 0.8610 0.7803 0.8067 -0.1054 0.0661 0.0368 217 ILE B C +6023 O O . ILE B 216 ? 0.7877 0.6992 0.7253 -0.1045 0.0680 0.0388 217 ILE B O +6024 C CB . ILE B 216 ? 0.8767 0.8123 0.8329 -0.1001 0.0629 0.0345 217 ILE B CB +6025 C CG1 . ILE B 216 ? 0.8031 0.7427 0.7607 -0.0953 0.0587 0.0338 217 ILE B CG1 +6026 C CG2 . ILE B 216 ? 0.7475 0.6805 0.6990 -0.0999 0.0671 0.0361 217 ILE B CG2 +6027 C CD1 . ILE B 216 ? 0.7694 0.7198 0.7349 -0.0944 0.0590 0.0322 217 ILE B CD1 +6028 N N . LEU B 217 ? 0.8138 0.7358 0.7648 -0.1101 0.0675 0.0356 218 LEU B N +6029 C CA . LEU B 217 ? 0.8663 0.7838 0.8148 -0.1145 0.0723 0.0366 218 LEU B CA +6030 C C . LEU B 217 ? 0.8993 0.8061 0.8412 -0.1167 0.0722 0.0377 218 LEU B C +6031 O O . LEU B 217 ? 0.9695 0.8693 0.9057 -0.1190 0.0759 0.0393 218 LEU B O +6032 C CB . LEU B 217 ? 0.7967 0.7235 0.7549 -0.1188 0.0746 0.0347 218 LEU B CB +6033 C CG . LEU B 217 ? 0.9162 0.8530 0.8803 -0.1170 0.0757 0.0339 218 LEU B CG +6034 C CD1 . LEU B 217 ? 0.8801 0.8272 0.8548 -0.1208 0.0772 0.0317 218 LEU B CD1 +6035 C CD2 . LEU B 217 ? 0.8310 0.7638 0.7890 -0.1160 0.0797 0.0359 218 LEU B CD2 +6036 N N . VAL B 218 ? 0.9231 0.8283 0.8654 -0.1160 0.0681 0.0369 219 VAL B N +6037 C CA . VAL B 218 ? 0.8004 0.6957 0.7370 -0.1181 0.0680 0.0376 219 VAL B CA +6038 C C . VAL B 218 ? 0.8711 0.7584 0.7995 -0.1136 0.0649 0.0390 219 VAL B C +6039 O O . VAL B 218 ? 0.9646 0.8554 0.8949 -0.1100 0.0608 0.0382 219 VAL B O +6040 C CB . VAL B 218 ? 0.8061 0.7052 0.7492 -0.1213 0.0660 0.0355 219 VAL B CB +6041 C CG1 . VAL B 218 ? 0.7517 0.6402 0.6885 -0.1234 0.0659 0.0363 219 VAL B CG1 +6042 C CG2 . VAL B 218 ? 0.8593 0.7671 0.8110 -0.1256 0.0689 0.0340 219 VAL B CG2 +6043 N N . ARG B 219 ? 0.8692 0.7458 0.7883 -0.1138 0.0668 0.0411 220 ARG B N +6044 C CA . ARG B 219 ? 0.7875 0.6561 0.6985 -0.1096 0.0641 0.0425 220 ARG B CA +6045 C C . ARG B 219 ? 0.9468 0.8125 0.8581 -0.1098 0.0605 0.0416 220 ARG B C +6046 O O . ARG B 219 ? 0.9173 0.7844 0.8328 -0.1139 0.0611 0.0403 220 ARG B O +6047 C CB . ARG B 219 ? 0.7578 0.6155 0.6587 -0.1098 0.0672 0.0450 220 ARG B CB +6048 C CG . ARG B 219 ? 0.8932 0.7527 0.7926 -0.1090 0.0706 0.0460 220 ARG B CG +6049 C CD . ARG B 219 ? 0.8487 0.7142 0.7499 -0.1041 0.0679 0.0457 220 ARG B CD +6050 N NE . ARG B 219 ? 1.0027 0.8618 0.8971 -0.0996 0.0644 0.0467 220 ARG B NE +6051 C CZ . ARG B 219 ? 0.9039 0.7661 0.7982 -0.0951 0.0618 0.0466 220 ARG B CZ +6052 N NH1 . ARG B 219 ? 0.7213 0.5926 0.6215 -0.0942 0.0621 0.0456 220 ARG B NH1 +6053 N NH2 . ARG B 219 ? 0.7446 0.6007 0.6327 -0.0914 0.0587 0.0474 220 ARG B NH2 +6054 N N . PRO B 220 ? 0.8344 0.6960 0.7411 -0.1055 0.0570 0.0421 221 PRO B N +6055 C CA . PRO B 220 ? 0.8931 0.7511 0.7992 -0.1055 0.0538 0.0413 221 PRO B CA +6056 C C . PRO B 220 ? 0.9113 0.7587 0.8107 -0.1083 0.0558 0.0425 221 PRO B C +6057 O O . PRO B 220 ? 0.8324 0.6721 0.7243 -0.1081 0.0584 0.0445 221 PRO B O +6058 C CB . PRO B 220 ? 0.7980 0.6541 0.7003 -0.0999 0.0501 0.0418 221 PRO B CB +6059 C CG . PRO B 220 ? 0.8352 0.6965 0.7385 -0.0973 0.0507 0.0422 221 PRO B CG +6060 C CD . PRO B 220 ? 0.7746 0.6355 0.6773 -0.1005 0.0555 0.0431 221 PRO B CD +6061 N N . PRO B 221 ? 0.8105 0.6563 0.7118 -0.1109 0.0546 0.0413 222 PRO B N +6062 C CA . PRO B 221 ? 0.9214 0.7561 0.8156 -0.1129 0.0558 0.0424 222 PRO B CA +6063 C C . PRO B 221 ? 0.8542 0.6801 0.7394 -0.1084 0.0538 0.0441 222 PRO B C +6064 O O . PRO B 221 ? 0.9051 0.7334 0.7910 -0.1042 0.0500 0.0436 222 PRO B O +6065 C CB . PRO B 221 ? 0.9183 0.7548 0.8174 -0.1155 0.0538 0.0404 222 PRO B CB +6066 C CG . PRO B 221 ? 0.8044 0.6537 0.7138 -0.1159 0.0524 0.0383 222 PRO B CG +6067 C CD . PRO B 221 ? 0.8336 0.6876 0.7434 -0.1116 0.0517 0.0389 222 PRO B CD +6068 N N . GLN B 222 ? 0.8776 0.6929 0.7542 -0.1092 0.0563 0.0460 223 GLN B N +6069 C CA . GLN B 222 ? 0.8118 0.6179 0.6792 -0.1050 0.0546 0.0477 223 GLN B CA +6070 C C . GLN B 222 ? 0.8790 0.6839 0.7466 -0.1026 0.0503 0.0466 223 GLN B C +6071 O O . GLN B 222 ? 0.8453 0.6486 0.7096 -0.0978 0.0474 0.0471 223 GLN B O +6072 C CB . GLN B 222 ? 0.8545 0.6490 0.7130 -0.1071 0.0580 0.0497 223 GLN B CB +6073 C CG . GLN B 222 ? 0.9954 0.7793 0.8438 -0.1031 0.0563 0.0514 223 GLN B CG +6074 C CD . GLN B 222 ? 1.8737 1.6465 1.7130 -0.1050 0.0601 0.0536 223 GLN B CD +6075 O OE1 . GLN B 222 ? 1.5729 1.3408 1.4111 -0.1094 0.0624 0.0535 223 GLN B OE1 +6076 N NE2 . GLN B 222 ? 2.0079 1.7767 1.8406 -0.1019 0.0610 0.0554 223 GLN B NE2 +6077 N N . ARG B 223 ? 0.8132 0.6190 0.6848 -0.1059 0.0497 0.0451 224 ARG B N +6078 C CA . ARG B 223 ? 0.9179 0.7219 0.7894 -0.1038 0.0458 0.0440 224 ARG B CA +6079 C C . ARG B 223 ? 0.8317 0.6453 0.7096 -0.1005 0.0422 0.0426 224 ARG B C +6080 O O . ARG B 223 ? 0.9093 0.7211 0.7853 -0.0969 0.0389 0.0423 224 ARG B O +6081 C CB . ARG B 223 ? 1.0133 0.8154 0.8870 -0.1084 0.0463 0.0427 224 ARG B CB +6082 C CG . ARG B 223 ? 1.1165 0.9083 0.9833 -0.1117 0.0499 0.0443 224 ARG B CG +6083 C CD . ARG B 223 ? 1.0521 0.8382 0.9179 -0.1148 0.0496 0.0433 224 ARG B CD +6084 N NE . ARG B 223 ? 1.2661 1.0442 1.1254 -0.1112 0.0467 0.0438 224 ARG B NE +6085 C CZ . ARG B 223 ? 1.2046 0.9730 1.0585 -0.1130 0.0470 0.0440 224 ARG B CZ +6086 N NH1 . ARG B 223 ? 1.2714 1.0360 1.1248 -0.1183 0.0503 0.0440 224 ARG B NH1 +6087 N NH2 . ARG B 223 ? 1.1834 0.9459 1.0325 -0.1092 0.0441 0.0441 224 ARG B NH2 +6088 N N . LEU B 224 ? 0.8430 0.6669 0.7285 -0.1015 0.0429 0.0415 225 LEU B N +6089 C CA . LEU B 224 ? 0.8476 0.6801 0.7388 -0.0983 0.0395 0.0402 225 LEU B CA +6090 C C . LEU B 224 ? 0.8821 0.7144 0.7696 -0.0935 0.0387 0.0416 225 LEU B C +6091 O O . LEU B 224 ? 0.8331 0.6675 0.7210 -0.0897 0.0354 0.0411 225 LEU B O +6092 C CB . LEU B 224 ? 0.7492 0.5927 0.6499 -0.1010 0.0402 0.0385 225 LEU B CB +6093 C CG . LEU B 224 ? 0.8283 0.6733 0.7337 -0.1052 0.0401 0.0368 225 LEU B CG +6094 C CD1 . LEU B 224 ? 0.7846 0.6410 0.6997 -0.1074 0.0403 0.0349 225 LEU B CD1 +6095 C CD2 . LEU B 224 ? 0.8414 0.6836 0.7456 -0.1033 0.0364 0.0358 225 LEU B CD2 +6096 N N . TYR B 225 ? 0.7701 0.5995 0.6535 -0.0939 0.0419 0.0432 226 TYR B N +6097 C CA . TYR B 225 ? 0.7436 0.5721 0.6229 -0.0897 0.0414 0.0446 226 TYR B CA +6098 C C . TYR B 225 ? 0.9378 0.7585 0.8100 -0.0858 0.0387 0.0455 226 TYR B C +6099 O O . TYR B 225 ? 0.9037 0.7268 0.7757 -0.0816 0.0360 0.0454 226 TYR B O +6100 C CB . TYR B 225 ? 0.8221 0.6475 0.6974 -0.0913 0.0455 0.0462 226 TYR B CB +6101 C CG . TYR B 225 ? 0.7456 0.5715 0.6175 -0.0875 0.0454 0.0474 226 TYR B CG +6102 C CD1 . TYR B 225 ? 0.7774 0.5956 0.6412 -0.0836 0.0440 0.0489 226 TYR B CD1 +6103 C CD2 . TYR B 225 ? 0.7216 0.5557 0.5986 -0.0877 0.0468 0.0470 226 TYR B CD2 +6104 C CE1 . TYR B 225 ? 0.7440 0.5628 0.6048 -0.0802 0.0438 0.0498 226 TYR B CE1 +6105 C CE2 . TYR B 225 ? 0.7260 0.5604 0.5998 -0.0843 0.0468 0.0480 226 TYR B CE2 +6106 C CZ . TYR B 225 ? 0.8801 0.7069 0.7458 -0.0806 0.0453 0.0494 226 TYR B CZ +6107 O OH . TYR B 225 ? 0.9225 0.7498 0.7851 -0.0773 0.0452 0.0503 226 TYR B OH +6108 N N . LYS B 226 ? 0.8105 0.6218 0.6767 -0.0872 0.0395 0.0463 227 LYS B N +6109 C CA . LYS B 226 ? 1.0093 0.8129 0.8687 -0.0835 0.0370 0.0470 227 LYS B CA +6110 C C . LYS B 226 ? 0.8441 0.6518 0.7079 -0.0816 0.0331 0.0453 227 LYS B C +6111 O O . LYS B 226 ? 0.9186 0.7262 0.7807 -0.0772 0.0303 0.0454 227 LYS B O +6112 C CB . LYS B 226 ? 0.8003 0.5927 0.6524 -0.0855 0.0389 0.0483 227 LYS B CB +6113 C CG . LYS B 226 ? 1.1966 0.9826 1.0417 -0.0861 0.0424 0.0504 227 LYS B CG +6114 C CD . LYS B 226 ? 1.3071 1.0805 1.1432 -0.0868 0.0436 0.0519 227 LYS B CD +6115 C CE . LYS B 226 ? 1.8470 1.6142 1.6768 -0.0816 0.0403 0.0525 227 LYS B CE +6116 N NZ . LYS B 226 ? 1.9196 1.6885 1.7528 -0.0805 0.0368 0.0509 227 LYS B NZ +6117 N N . ALA B 227 ? 0.8019 0.6132 0.6715 -0.0848 0.0329 0.0437 228 ALA B N +6118 C CA . ALA B 227 ? 0.8547 0.6688 0.7277 -0.0833 0.0294 0.0420 228 ALA B CA +6119 C C . ALA B 227 ? 0.9330 0.7563 0.8114 -0.0802 0.0269 0.0411 228 ALA B C +6120 O O . ALA B 227 ? 0.8454 0.6691 0.7238 -0.0770 0.0238 0.0404 228 ALA B O +6121 C CB . ALA B 227 ? 0.7352 0.5512 0.6130 -0.0877 0.0299 0.0404 228 ALA B CB +6122 N N . LEU B 228 ? 0.7784 0.6091 0.6617 -0.0812 0.0283 0.0408 229 LEU B N +6123 C CA . LEU B 228 ? 0.7602 0.5994 0.6484 -0.0783 0.0261 0.0400 229 LEU B CA +6124 C C . LEU B 228 ? 0.7941 0.6326 0.6784 -0.0748 0.0261 0.0413 229 LEU B C +6125 O O . LEU B 228 ? 0.7952 0.6403 0.6832 -0.0725 0.0246 0.0407 229 LEU B O +6126 C CB . LEU B 228 ? 0.7911 0.6396 0.6875 -0.0812 0.0271 0.0386 229 LEU B CB +6127 C CG . LEU B 228 ? 0.8180 0.6694 0.7196 -0.0839 0.0260 0.0367 229 LEU B CG +6128 C CD1 . LEU B 228 ? 0.8423 0.7032 0.7520 -0.0865 0.0269 0.0354 229 LEU B CD1 +6129 C CD2 . LEU B 228 ? 0.9331 0.7855 0.8354 -0.0807 0.0222 0.0358 229 LEU B CD2 +6130 N N . ARG B 229 ? 0.7782 0.6085 0.6550 -0.0743 0.0279 0.0432 230 ARG B N +6131 C CA . ARG B 229 ? 0.8264 0.6553 0.6988 -0.0709 0.0278 0.0445 230 ARG B CA +6132 C C . ARG B 229 ? 0.7539 0.5907 0.6309 -0.0712 0.0291 0.0443 230 ARG B C +6133 O O . ARG B 229 ? 0.7842 0.6252 0.6625 -0.0680 0.0273 0.0441 230 ARG B O +6134 C CB . ARG B 229 ? 0.7562 0.5844 0.6268 -0.0663 0.0241 0.0443 230 ARG B CB +6135 C CG . ARG B 229 ? 0.9118 0.7343 0.7798 -0.0656 0.0222 0.0440 230 ARG B CG +6136 C CD . ARG B 229 ? 0.8889 0.7005 0.7480 -0.0652 0.0234 0.0457 230 ARG B CD +6137 N NE . ARG B 229 ? 0.9518 0.7583 0.8078 -0.0630 0.0209 0.0455 230 ARG B NE +6138 C CZ . ARG B 229 ? 1.1755 0.9799 1.0326 -0.0650 0.0205 0.0446 230 ARG B CZ +6139 N NH1 . ARG B 229 ? 1.1505 0.9568 1.0114 -0.0694 0.0224 0.0439 230 ARG B NH1 +6140 N NH2 . ARG B 229 ? 1.1000 0.9002 0.9543 -0.0624 0.0180 0.0443 230 ARG B NH2 +6141 N N . MET B 230 ? 0.7528 0.5915 0.6323 -0.0751 0.0324 0.0443 231 MET B N +6142 C CA . MET B 230 ? 0.7860 0.6327 0.6706 -0.0757 0.0339 0.0439 231 MET B CA +6143 C C . MET B 230 ? 0.8064 0.6513 0.6862 -0.0733 0.0351 0.0453 231 MET B C +6144 O O . MET B 230 ? 0.7793 0.6305 0.6628 -0.0734 0.0362 0.0450 231 MET B O +6145 C CB . MET B 230 ? 0.7826 0.6317 0.6711 -0.0806 0.0372 0.0434 231 MET B CB +6146 C CG . MET B 230 ? 0.7714 0.6224 0.6647 -0.0833 0.0361 0.0419 231 MET B CG +6147 S SD . MET B 230 ? 0.8123 0.6703 0.7129 -0.0884 0.0395 0.0409 231 MET B SD +6148 C CE . MET B 230 ? 0.7427 0.6011 0.6475 -0.0916 0.0379 0.0392 231 MET B CE +6149 N N . GLY B 231 ? 0.7903 0.6266 0.6618 -0.0713 0.0350 0.0469 232 GLY B N +6150 C CA . GLY B 231 ? 0.6853 0.5206 0.5526 -0.0682 0.0352 0.0480 232 GLY B CA +6151 C C . GLY B 231 ? 0.9211 0.7593 0.7890 -0.0638 0.0313 0.0474 232 GLY B C +6152 O O . GLY B 231 ? 0.7852 0.6233 0.6502 -0.0611 0.0311 0.0481 232 GLY B O +6153 N N . ASN B 232 ? 0.7897 0.6306 0.6616 -0.0632 0.0284 0.0461 233 ASN B N +6154 C CA . ASN B 232 ? 0.8808 0.7240 0.7534 -0.0592 0.0247 0.0454 233 ASN B CA +6155 C C . ASN B 232 ? 0.6741 0.5272 0.5549 -0.0593 0.0235 0.0438 233 ASN B C +6156 O O . ASN B 232 ? 0.7799 0.6368 0.6661 -0.0614 0.0230 0.0425 233 ASN B O +6157 C CB . ASN B 232 ? 0.7221 0.5606 0.5925 -0.0581 0.0222 0.0452 233 ASN B CB +6158 C CG . ASN B 232 ? 0.7956 0.6362 0.6664 -0.0540 0.0186 0.0446 233 ASN B CG +6159 O OD1 . ASN B 232 ? 0.8228 0.6693 0.6967 -0.0524 0.0176 0.0440 233 ASN B OD1 +6160 N ND2 . ASN B 232 ? 0.7559 0.5917 0.6237 -0.0523 0.0165 0.0446 233 ASN B ND2 +6161 N N . ILE B 233 ? 0.7440 0.6011 0.6255 -0.0570 0.0229 0.0437 234 ILE B N +6162 C CA . ILE B 233 ? 0.7588 0.6250 0.6475 -0.0569 0.0220 0.0423 234 ILE B CA +6163 C C . ILE B 233 ? 0.7622 0.6313 0.6549 -0.0560 0.0188 0.0409 234 ILE B C +6164 O O . ILE B 233 ? 0.7138 0.5895 0.6130 -0.0571 0.0183 0.0395 234 ILE B O +6165 C CB . ILE B 233 ? 0.8269 0.6956 0.7146 -0.0542 0.0218 0.0426 234 ILE B CB +6166 C CG1 . ILE B 233 ? 0.7361 0.6140 0.6311 -0.0543 0.0213 0.0411 234 ILE B CG1 +6167 C CG2 . ILE B 233 ? 0.5964 0.4617 0.4798 -0.0504 0.0189 0.0429 234 ILE B CG2 +6168 C CD1 . ILE B 233 ? 0.7314 0.6117 0.6255 -0.0525 0.0220 0.0415 234 ILE B CD1 +6169 N N . GLU B 234 ? 0.7251 0.5892 0.6140 -0.0539 0.0167 0.0411 235 GLU B N +6170 C CA . GLU B 234 ? 0.7298 0.5964 0.6221 -0.0530 0.0138 0.0398 235 GLU B CA +6171 C C . GLU B 234 ? 0.8388 0.7062 0.7347 -0.0562 0.0144 0.0389 235 GLU B C +6172 O O . GLU B 234 ? 0.7486 0.6199 0.6488 -0.0561 0.0123 0.0376 235 GLU B O +6173 C CB . GLU B 234 ? 0.7146 0.5755 0.6018 -0.0500 0.0116 0.0403 235 GLU B CB +6174 C CG . GLU B 234 ? 0.7263 0.5911 0.6172 -0.0481 0.0084 0.0389 235 GLU B CG +6175 C CD . GLU B 234 ? 0.8418 0.7029 0.7285 -0.0445 0.0062 0.0393 235 GLU B CD +6176 O OE1 . GLU B 234 ? 0.7581 0.6134 0.6388 -0.0434 0.0068 0.0406 235 GLU B OE1 +6177 O OE2 . GLU B 234 ? 0.7820 0.6461 0.6714 -0.0428 0.0037 0.0382 235 GLU B OE2 +6178 N N . THR B 235 ? 0.6926 0.5567 0.5871 -0.0593 0.0171 0.0396 236 THR B N +6179 C CA . THR B 235 ? 0.7255 0.5912 0.6241 -0.0626 0.0174 0.0385 236 THR B CA +6180 C C . THR B 235 ? 0.6562 0.5310 0.5623 -0.0639 0.0176 0.0372 236 THR B C +6181 O O . THR B 235 ? 0.7566 0.6349 0.6673 -0.0652 0.0163 0.0358 236 THR B O +6182 C CB . THR B 235 ? 0.6693 0.5293 0.5647 -0.0659 0.0204 0.0394 236 THR B CB +6183 O OG1 . THR B 235 ? 0.7293 0.5888 0.6271 -0.0684 0.0199 0.0384 236 THR B OG1 +6184 C CG2 . THR B 235 ? 0.6223 0.4858 0.5201 -0.0685 0.0236 0.0397 236 THR B CG2 +6185 N N . VAL B 236 ? 0.6794 0.5580 0.5867 -0.0635 0.0190 0.0375 237 VAL B N +6186 C CA . VAL B 236 ? 0.7471 0.6344 0.6613 -0.0643 0.0190 0.0363 237 VAL B CA +6187 C C . VAL B 236 ? 0.6627 0.5543 0.5799 -0.0616 0.0157 0.0351 237 VAL B C +6188 O O . VAL B 236 ? 0.7096 0.6070 0.6325 -0.0625 0.0147 0.0337 237 VAL B O +6189 C CB . VAL B 236 ? 0.8095 0.6991 0.7235 -0.0642 0.0214 0.0370 237 VAL B CB +6190 C CG1 . VAL B 236 ? 0.6959 0.5946 0.6172 -0.0649 0.0215 0.0357 237 VAL B CG1 +6191 C CG2 . VAL B 236 ? 0.6992 0.5836 0.6093 -0.0668 0.0248 0.0383 237 VAL B CG2 +6192 N N . LEU B 237 ? 0.7125 0.6013 0.6258 -0.0583 0.0140 0.0357 238 LEU B N +6193 C CA . LEU B 237 ? 0.6858 0.5783 0.6016 -0.0558 0.0110 0.0347 238 LEU B CA +6194 C C . LEU B 237 ? 0.6645 0.5568 0.5824 -0.0568 0.0093 0.0336 238 LEU B C +6195 O O . LEU B 237 ? 0.6535 0.5511 0.5760 -0.0565 0.0077 0.0323 238 LEU B O +6196 C CB . LEU B 237 ? 0.6629 0.5518 0.5738 -0.0523 0.0096 0.0355 238 LEU B CB +6197 C CG . LEU B 237 ? 0.7340 0.6265 0.6471 -0.0497 0.0067 0.0346 238 LEU B CG +6198 C CD1 . LEU B 237 ? 0.5530 0.4529 0.4713 -0.0497 0.0068 0.0337 238 LEU B CD1 +6199 C CD2 . LEU B 237 ? 0.6603 0.5496 0.5689 -0.0464 0.0054 0.0353 238 LEU B CD2 +6200 N N A SER B 238 ? 0.6800 0.5661 0.5944 -0.0580 0.0098 0.0341 239 SER B N +6201 N N B SER B 238 ? 0.6796 0.5656 0.5939 -0.0579 0.0097 0.0341 239 SER B N +6202 C CA A SER B 238 ? 0.6733 0.5584 0.5890 -0.0587 0.0082 0.0331 239 SER B CA +6203 C CA B SER B 238 ? 0.6729 0.5581 0.5887 -0.0587 0.0082 0.0331 239 SER B CA +6204 C C A SER B 238 ? 0.7390 0.6292 0.6605 -0.0618 0.0087 0.0318 239 SER B C +6205 C C B SER B 238 ? 0.7385 0.6289 0.6601 -0.0617 0.0087 0.0318 239 SER B C +6206 O O A SER B 238 ? 0.7051 0.5987 0.6301 -0.0616 0.0067 0.0305 239 SER B O +6207 O O B SER B 238 ? 0.7057 0.5995 0.6308 -0.0615 0.0067 0.0305 239 SER B O +6208 C CB A SER B 238 ? 0.6981 0.5749 0.6083 -0.0593 0.0088 0.0340 239 SER B CB +6209 C CB B SER B 238 ? 0.6978 0.5748 0.6081 -0.0594 0.0088 0.0340 239 SER B CB +6210 O OG A SER B 238 ? 0.6887 0.5607 0.5932 -0.0568 0.0088 0.0354 239 SER B OG +6211 O OG B SER B 238 ? 0.5957 0.4718 0.5074 -0.0603 0.0074 0.0329 239 SER B OG +6212 N N . SER B 239 ? 0.7177 0.6086 0.6403 -0.0646 0.0113 0.0321 240 SER B N +6213 C CA . SER B 239 ? 0.7678 0.6639 0.6962 -0.0676 0.0117 0.0308 240 SER B CA +6214 C C . SER B 239 ? 0.6504 0.5549 0.5843 -0.0667 0.0111 0.0299 240 SER B C +6215 O O . SER B 239 ? 0.6900 0.5994 0.6289 -0.0679 0.0100 0.0284 240 SER B O +6216 C CB . SER B 239 ? 0.6556 0.5496 0.5836 -0.0713 0.0149 0.0313 240 SER B CB +6217 O OG . SER B 239 ? 0.7002 0.5931 0.6255 -0.0707 0.0171 0.0327 240 SER B OG +6218 N N . SER B 240 ? 0.6811 0.5871 0.6140 -0.0646 0.0116 0.0306 241 SER B N +6219 C CA . SER B 240 ? 0.6406 0.5540 0.5782 -0.0633 0.0108 0.0298 241 SER B CA +6220 C C . SER B 240 ? 0.7543 0.6697 0.6934 -0.0612 0.0076 0.0287 241 SER B C +6221 O O . SER B 240 ? 0.6738 0.5950 0.6178 -0.0613 0.0065 0.0275 241 SER B O +6222 C CB . SER B 240 ? 0.6907 0.6043 0.6260 -0.0613 0.0119 0.0308 241 SER B CB +6223 O OG . SER B 240 ? 0.7086 0.6225 0.6440 -0.0633 0.0149 0.0315 241 SER B OG +6224 N N . ILE B 241 ? 0.6848 0.5954 0.6197 -0.0591 0.0062 0.0293 242 ILE B N +6225 C CA . ILE B 241 ? 0.6254 0.5375 0.5614 -0.0571 0.0034 0.0283 242 ILE B CA +6226 C C . ILE B 241 ? 0.5749 0.4881 0.5139 -0.0591 0.0024 0.0270 242 ILE B C +6227 O O . ILE B 241 ? 0.6626 0.5800 0.6049 -0.0584 0.0006 0.0259 242 ILE B O +6228 C CB . ILE B 241 ? 0.6465 0.5531 0.5775 -0.0546 0.0022 0.0291 242 ILE B CB +6229 C CG1 . ILE B 241 ? 0.5901 0.4967 0.5187 -0.0522 0.0025 0.0301 242 ILE B CG1 +6230 C CG2 . ILE B 241 ? 0.6225 0.5299 0.5546 -0.0532 -0.0004 0.0281 242 ILE B CG2 +6231 C CD1 . ILE B 241 ? 0.6062 0.5074 0.5298 -0.0498 0.0014 0.0309 242 ILE B CD1 +6232 N N . ALA B 242 ? 0.6380 0.5475 0.5758 -0.0617 0.0036 0.0272 243 ALA B N +6233 C CA . ALA B 242 ? 0.6156 0.5258 0.5560 -0.0638 0.0028 0.0259 243 ALA B CA +6234 C C . ALA B 242 ? 0.6602 0.5777 0.6067 -0.0655 0.0029 0.0247 243 ALA B C +6235 O O . ALA B 242 ? 0.6405 0.5613 0.5901 -0.0655 0.0010 0.0233 243 ALA B O +6236 C CB . ALA B 242 ? 0.6329 0.5370 0.5703 -0.0664 0.0043 0.0264 243 ALA B CB +6237 N N . ALA B 243 ? 0.5776 0.4978 0.5258 -0.0668 0.0051 0.0251 244 ALA B N +6238 C CA . ALA B 243 ? 0.7173 0.6451 0.6716 -0.0680 0.0052 0.0239 244 ALA B CA +6239 C C . ALA B 243 ? 0.6860 0.6186 0.6425 -0.0650 0.0031 0.0233 244 ALA B C +6240 O O . ALA B 243 ? 0.6597 0.5975 0.6206 -0.0654 0.0018 0.0219 244 ALA B O +6241 C CB . ALA B 243 ? 0.6600 0.5896 0.6153 -0.0694 0.0081 0.0246 244 ALA B CB +6242 N N . VAL B 244 ? 0.6569 0.5877 0.6102 -0.0621 0.0027 0.0243 245 VAL B N +6243 C CA . VAL B 244 ? 0.6128 0.5476 0.5677 -0.0594 0.0010 0.0238 245 VAL B CA +6244 C C . VAL B 244 ? 0.6833 0.6181 0.6387 -0.0585 -0.0016 0.0227 245 VAL B C +6245 O O . VAL B 244 ? 0.6393 0.5789 0.5981 -0.0578 -0.0031 0.0217 245 VAL B O +6246 C CB . VAL B 244 ? 0.6172 0.5499 0.5684 -0.0568 0.0014 0.0251 245 VAL B CB +6247 C CG1 . VAL B 244 ? 0.6941 0.6290 0.6458 -0.0540 -0.0007 0.0246 245 VAL B CG1 +6248 C CG2 . VAL B 244 ? 0.6264 0.5618 0.5787 -0.0572 0.0037 0.0256 245 VAL B CG2 +6249 N N . PHE B 245 ? 0.5992 0.5284 0.5511 -0.0586 -0.0023 0.0230 246 PHE B N +6250 C CA . PHE B 245 ? 0.6390 0.5684 0.5913 -0.0576 -0.0047 0.0220 246 PHE B CA +6251 C C . PHE B 245 ? 0.6335 0.5657 0.5895 -0.0600 -0.0053 0.0205 246 PHE B C +6252 O O . PHE B 245 ? 0.7045 0.6396 0.6626 -0.0592 -0.0072 0.0194 246 PHE B O +6253 C CB . PHE B 245 ? 0.6005 0.5236 0.5481 -0.0565 -0.0054 0.0225 246 PHE B CB +6254 C CG . PHE B 245 ? 0.6365 0.5546 0.5822 -0.0587 -0.0048 0.0225 246 PHE B CG +6255 C CD1 . PHE B 245 ? 0.6584 0.5772 0.6061 -0.0605 -0.0058 0.0212 246 PHE B CD1 +6256 C CD2 . PHE B 245 ? 0.6250 0.5373 0.5662 -0.0587 -0.0035 0.0238 246 PHE B CD2 +6257 C CE1 . PHE B 245 ? 0.7939 0.7076 0.7394 -0.0625 -0.0052 0.0212 246 PHE B CE1 +6258 C CE2 . PHE B 245 ? 0.6913 0.5984 0.6303 -0.0606 -0.0030 0.0239 246 PHE B CE2 +6259 C CZ . PHE B 245 ? 0.6679 0.5757 0.6090 -0.0625 -0.0038 0.0225 246 PHE B CZ +6260 N N . PHE B 246 ? 0.6574 0.5888 0.6143 -0.0630 -0.0037 0.0205 247 PHE B N +6261 C CA . PHE B 246 ? 0.6925 0.6276 0.6537 -0.0655 -0.0040 0.0191 247 PHE B CA +6262 C C . PHE B 246 ? 0.6056 0.5481 0.5715 -0.0647 -0.0048 0.0182 247 PHE B C +6263 O O . PHE B 246 ? 0.6939 0.6395 0.6624 -0.0645 -0.0068 0.0168 247 PHE B O +6264 C CB . PHE B 246 ? 0.6697 0.6032 0.6313 -0.0689 -0.0016 0.0194 247 PHE B CB +6265 C CG . PHE B 246 ? 0.7885 0.7254 0.7545 -0.0720 -0.0019 0.0178 247 PHE B CG +6266 C CD1 . PHE B 246 ? 0.7609 0.7049 0.7323 -0.0730 -0.0015 0.0170 247 PHE B CD1 +6267 C CD2 . PHE B 246 ? 0.8540 0.7869 0.8186 -0.0739 -0.0026 0.0172 247 PHE B CD2 +6268 C CE1 . PHE B 246 ? 0.7084 0.6557 0.6840 -0.0758 -0.0020 0.0154 247 PHE B CE1 +6269 C CE2 . PHE B 246 ? 0.8935 0.8294 0.8621 -0.0768 -0.0030 0.0156 247 PHE B CE2 +6270 C CZ . PHE B 246 ? 0.8109 0.7541 0.7851 -0.0778 -0.0027 0.0147 247 PHE B CZ +6271 N N . ALA B 247 ? 0.6264 0.5716 0.5933 -0.0639 -0.0034 0.0189 248 ALA B N +6272 C CA . ALA B 247 ? 0.7037 0.6558 0.6749 -0.0628 -0.0040 0.0182 248 ALA B CA +6273 C C . ALA B 247 ? 0.6842 0.6372 0.6547 -0.0598 -0.0064 0.0178 248 ALA B C +6274 O O . ALA B 247 ? 0.7026 0.6603 0.6764 -0.0593 -0.0079 0.0166 248 ALA B O +6275 C CB . ALA B 247 ? 0.5534 0.5073 0.5249 -0.0623 -0.0018 0.0192 248 ALA B CB +6276 N N . ALA B 248 ? 0.6144 0.5628 0.5805 -0.0578 -0.0068 0.0188 249 ALA B N +6277 C CA . ALA B 248 ? 0.6970 0.6460 0.6622 -0.0551 -0.0088 0.0185 249 ALA B CA +6278 C C . ALA B 248 ? 0.6607 0.6099 0.6268 -0.0555 -0.0109 0.0172 249 ALA B C +6279 O O . ALA B 248 ? 0.6902 0.6424 0.6577 -0.0540 -0.0126 0.0164 249 ALA B O +6280 C CB . ALA B 248 ? 0.5549 0.4990 0.5154 -0.0531 -0.0087 0.0197 249 ALA B CB +6281 N N . PHE B 249 ? 0.6193 0.5649 0.5842 -0.0574 -0.0109 0.0169 250 PHE B N +6282 C CA . PHE B 249 ? 0.6274 0.5730 0.5930 -0.0580 -0.0128 0.0156 250 PHE B CA +6283 C C . PHE B 249 ? 0.6341 0.5856 0.6044 -0.0592 -0.0136 0.0142 250 PHE B C +6284 O O . PHE B 249 ? 0.6391 0.5927 0.6105 -0.0582 -0.0156 0.0132 250 PHE B O +6285 C CB . PHE B 249 ? 0.6971 0.6374 0.6603 -0.0599 -0.0124 0.0156 250 PHE B CB +6286 C CG . PHE B 249 ? 0.7393 0.6741 0.6979 -0.0582 -0.0129 0.0163 250 PHE B CG +6287 C CD1 . PHE B 249 ? 0.7064 0.6414 0.6640 -0.0560 -0.0147 0.0158 250 PHE B CD1 +6288 C CD2 . PHE B 249 ? 0.6527 0.5822 0.6079 -0.0587 -0.0115 0.0173 250 PHE B CD2 +6289 C CE1 . PHE B 249 ? 0.6200 0.5503 0.5738 -0.0544 -0.0151 0.0163 250 PHE B CE1 +6290 C CE2 . PHE B 249 ? 0.6903 0.6149 0.6414 -0.0569 -0.0121 0.0179 250 PHE B CE2 +6291 C CZ . PHE B 249 ? 0.5736 0.4988 0.5242 -0.0548 -0.0138 0.0173 250 PHE B CZ +6292 N N . VAL B 250 ? 0.6220 0.5764 0.5954 -0.0611 -0.0120 0.0142 251 VAL B N +6293 C CA . VAL B 250 ? 0.6792 0.6398 0.6577 -0.0623 -0.0128 0.0128 251 VAL B CA +6294 C C . VAL B 250 ? 0.5741 0.5393 0.5543 -0.0595 -0.0139 0.0125 251 VAL B C +6295 O O . VAL B 250 ? 0.6630 0.6317 0.6455 -0.0591 -0.0159 0.0112 251 VAL B O +6296 C CB . VAL B 250 ? 0.7460 0.7088 0.7275 -0.0651 -0.0105 0.0128 251 VAL B CB +6297 C CG1 . VAL B 250 ? 0.6187 0.5889 0.6059 -0.0658 -0.0112 0.0114 251 VAL B CG1 +6298 C CG2 . VAL B 250 ? 0.6407 0.5988 0.6206 -0.0682 -0.0096 0.0128 251 VAL B CG2 +6299 N N . VAL B 251 ? 0.5587 0.5238 0.5375 -0.0576 -0.0128 0.0138 252 VAL B N +6300 C CA . VAL B 251 ? 0.5928 0.5620 0.5730 -0.0550 -0.0139 0.0135 252 VAL B CA +6301 C C . VAL B 251 ? 0.6155 0.5827 0.5932 -0.0529 -0.0161 0.0132 252 VAL B C +6302 O O . VAL B 251 ? 0.6484 0.6190 0.6276 -0.0513 -0.0177 0.0124 252 VAL B O +6303 C CB . VAL B 251 ? 0.7186 0.6886 0.6982 -0.0534 -0.0122 0.0147 252 VAL B CB +6304 C CG1 . VAL B 251 ? 0.5765 0.5494 0.5591 -0.0554 -0.0099 0.0148 252 VAL B CG1 +6305 C CG2 . VAL B 251 ? 0.5414 0.5057 0.5160 -0.0521 -0.0116 0.0161 252 VAL B CG2 +6306 N N . ALA B 252 ? 0.6132 0.5749 0.5869 -0.0527 -0.0163 0.0138 253 ALA B N +6307 C CA . ALA B 252 ? 0.6793 0.6391 0.6507 -0.0510 -0.0182 0.0134 253 ALA B CA +6308 C C . ALA B 252 ? 0.7096 0.6713 0.6829 -0.0520 -0.0201 0.0118 253 ALA B C +6309 O O . ALA B 252 ? 0.6328 0.5959 0.6060 -0.0504 -0.0219 0.0112 253 ALA B O +6310 C CB . ALA B 252 ? 0.5295 0.4832 0.4965 -0.0507 -0.0178 0.0143 253 ALA B CB +6311 N N . GLY B 253 ? 0.6129 0.5742 0.5877 -0.0548 -0.0197 0.0112 254 GLY B N +6312 C CA . GLY B 253 ? 0.5301 0.4933 0.5068 -0.0559 -0.0216 0.0096 254 GLY B CA +6313 C C . GLY B 253 ? 0.5889 0.5586 0.5699 -0.0555 -0.0227 0.0085 254 GLY B C +6314 O O . GLY B 253 ? 0.5745 0.5457 0.5556 -0.0543 -0.0248 0.0075 254 GLY B O +6315 N N . THR B 254 ? 0.5967 0.5703 0.5811 -0.0562 -0.0212 0.0088 255 THR B N +6316 C CA . THR B 254 ? 0.6815 0.6617 0.6702 -0.0555 -0.0222 0.0077 255 THR B CA +6317 C C . THR B 254 ? 0.7168 0.6979 0.7040 -0.0521 -0.0234 0.0080 255 THR B C +6318 O O . THR B 254 ? 0.5907 0.5760 0.5802 -0.0509 -0.0252 0.0069 255 THR B O +6319 C CB . THR B 254 ? 0.5729 0.5571 0.5655 -0.0570 -0.0201 0.0079 255 THR B CB +6320 O OG1 . THR B 254 ? 0.5931 0.5752 0.5834 -0.0558 -0.0181 0.0096 255 THR B OG1 +6321 C CG2 . THR B 254 ? 0.6260 0.6096 0.6204 -0.0607 -0.0189 0.0074 255 THR B CG2 +6322 N N . MET B 255 ? 0.6143 0.5917 0.5977 -0.0503 -0.0225 0.0094 256 MET B N +6323 C CA . MET B 255 ? 0.5639 0.5416 0.5456 -0.0472 -0.0237 0.0097 256 MET B CA +6324 C C . MET B 255 ? 0.6338 0.6096 0.6133 -0.0464 -0.0259 0.0089 256 MET B C +6325 O O . MET B 255 ? 0.6136 0.5915 0.5933 -0.0445 -0.0276 0.0083 256 MET B O +6326 C CB . MET B 255 ? 0.5662 0.5405 0.5446 -0.0458 -0.0222 0.0112 256 MET B CB +6327 C CG . MET B 255 ? 0.5715 0.5457 0.5479 -0.0427 -0.0231 0.0116 256 MET B CG +6328 S SD . MET B 255 ? 0.5808 0.5613 0.5609 -0.0411 -0.0235 0.0110 256 MET B SD +6329 C CE . MET B 255 ? 0.4953 0.4766 0.4764 -0.0415 -0.0207 0.0122 256 MET B CE +6330 N N . TRP B 256 ? 0.6125 0.5841 0.5898 -0.0478 -0.0260 0.0088 257 TRP B N +6331 C CA . TRP B 256 ? 0.6193 0.5884 0.5939 -0.0469 -0.0280 0.0081 257 TRP B CA +6332 C C . TRP B 256 ? 0.6018 0.5741 0.5790 -0.0477 -0.0300 0.0064 257 TRP B C +6333 O O . TRP B 256 ? 0.5900 0.5628 0.5660 -0.0460 -0.0319 0.0058 257 TRP B O +6334 C CB . TRP B 256 ? 0.6194 0.5828 0.5905 -0.0478 -0.0274 0.0086 257 TRP B CB +6335 C CG . TRP B 256 ? 0.5260 0.4863 0.4936 -0.0463 -0.0289 0.0083 257 TRP B CG +6336 C CD1 . TRP B 256 ? 0.5587 0.5165 0.5247 -0.0472 -0.0300 0.0074 257 TRP B CD1 +6337 C CD2 . TRP B 256 ? 0.5118 0.4713 0.4769 -0.0437 -0.0293 0.0088 257 TRP B CD2 +6338 N NE1 . TRP B 256 ? 0.6197 0.5751 0.5824 -0.0452 -0.0309 0.0074 257 TRP B NE1 +6339 C CE2 . TRP B 256 ? 0.5829 0.5393 0.5450 -0.0431 -0.0305 0.0083 257 TRP B CE2 +6340 C CE3 . TRP B 256 ? 0.5804 0.5411 0.5453 -0.0418 -0.0286 0.0098 257 TRP B CE3 +6341 C CZ2 . TRP B 256 ? 0.5769 0.5316 0.5360 -0.0409 -0.0310 0.0087 257 TRP B CZ2 +6342 C CZ3 . TRP B 256 ? 0.5695 0.5284 0.5315 -0.0396 -0.0292 0.0101 257 TRP B CZ3 +6343 C CH2 . TRP B 256 ? 0.5657 0.5216 0.5248 -0.0392 -0.0303 0.0095 257 TRP B CH2 +6344 N N . TYR B 257 ? 0.6174 0.5918 0.5978 -0.0504 -0.0297 0.0057 258 TYR B N +6345 C CA . TYR B 257 ? 0.6407 0.6185 0.6239 -0.0514 -0.0317 0.0039 258 TYR B CA +6346 C C . TYR B 257 ? 0.6393 0.6236 0.6267 -0.0504 -0.0325 0.0032 258 TYR B C +6347 O O . TYR B 257 ? 0.6486 0.6360 0.6379 -0.0503 -0.0347 0.0017 258 TYR B O +6348 C CB . TYR B 257 ? 0.5653 0.5425 0.5503 -0.0549 -0.0311 0.0032 258 TYR B CB +6349 C CG . TYR B 257 ? 0.6379 0.6085 0.6186 -0.0558 -0.0304 0.0038 258 TYR B CG +6350 C CD1 . TYR B 257 ? 0.6593 0.6262 0.6363 -0.0546 -0.0320 0.0034 258 TYR B CD1 +6351 C CD2 . TYR B 257 ? 0.6759 0.6438 0.6562 -0.0577 -0.0281 0.0048 258 TYR B CD2 +6352 C CE1 . TYR B 257 ? 0.6542 0.6151 0.6273 -0.0552 -0.0313 0.0039 258 TYR B CE1 +6353 C CE2 . TYR B 257 ? 0.6410 0.6027 0.6173 -0.0582 -0.0275 0.0053 258 TYR B CE2 +6354 C CZ . TYR B 257 ? 0.6746 0.6330 0.6475 -0.0569 -0.0291 0.0048 258 TYR B CZ +6355 O OH . TYR B 257 ? 0.7425 0.6950 0.7115 -0.0572 -0.0285 0.0053 258 TYR B OH +6356 N N . GLY B 258 ? 0.6296 0.6160 0.6185 -0.0496 -0.0308 0.0042 259 GLY B N +6357 C CA . GLY B 258 ? 0.6240 0.6170 0.6174 -0.0489 -0.0313 0.0035 259 GLY B CA +6358 C C . GLY B 258 ? 0.6377 0.6346 0.6361 -0.0518 -0.0300 0.0028 259 GLY B C +6359 O O . GLY B 258 ? 0.6239 0.6192 0.6228 -0.0547 -0.0297 0.0023 259 GLY B O +6360 N N . SER B 259 ? 0.6120 0.6141 0.6141 -0.0512 -0.0292 0.0028 260 SER B N +6361 C CA . SER B 259 ? 0.6170 0.6241 0.6246 -0.0538 -0.0279 0.0020 260 SER B CA +6362 C C . SER B 259 ? 0.6902 0.7032 0.7013 -0.0517 -0.0277 0.0019 260 SER B C +6363 O O . SER B 259 ? 0.5690 0.5814 0.5777 -0.0484 -0.0283 0.0025 260 SER B O +6364 C CB . SER B 259 ? 0.6030 0.6068 0.6097 -0.0563 -0.0249 0.0033 260 SER B CB +6365 O OG . SER B 259 ? 0.6605 0.6640 0.6662 -0.0547 -0.0228 0.0047 260 SER B OG +6366 N N . ALA B 260 ? 0.6243 0.6431 0.6411 -0.0536 -0.0267 0.0010 261 ALA B N +6367 C CA . ALA B 260 ? 0.6122 0.6370 0.6326 -0.0517 -0.0262 0.0008 261 ALA B CA +6368 C C . ALA B 260 ? 0.5874 0.6098 0.6050 -0.0498 -0.0239 0.0027 261 ALA B C +6369 O O . ALA B 260 ? 0.6428 0.6690 0.6621 -0.0474 -0.0238 0.0026 261 ALA B O +6370 C CB . ALA B 260 ? 0.6371 0.6684 0.6642 -0.0545 -0.0250 -0.0004 261 ALA B CB +6371 N N . THR B 261 ? 0.6115 0.6277 0.6249 -0.0509 -0.0220 0.0042 262 THR B N +6372 C CA . THR B 261 ? 0.5763 0.5901 0.5868 -0.0491 -0.0200 0.0059 262 THR B CA +6373 C C . THR B 261 ? 0.5466 0.5549 0.5513 -0.0464 -0.0211 0.0068 262 THR B C +6374 O O . THR B 261 ? 0.5823 0.5881 0.5842 -0.0449 -0.0197 0.0082 262 THR B O +6375 C CB . THR B 261 ? 0.6253 0.6360 0.6348 -0.0516 -0.0169 0.0070 262 THR B CB +6376 O OG1 . THR B 261 ? 0.6560 0.6602 0.6612 -0.0529 -0.0171 0.0077 262 THR B OG1 +6377 C CG2 . THR B 261 ? 0.6103 0.6259 0.6253 -0.0548 -0.0153 0.0061 262 THR B CG2 +6378 N N . THR B 262 ? 0.6029 0.6094 0.6058 -0.0458 -0.0237 0.0062 263 THR B N +6379 C CA . THR B 262 ? 0.6356 0.6375 0.6334 -0.0432 -0.0248 0.0069 263 THR B CA +6380 C C . THR B 262 ? 0.6088 0.6132 0.6071 -0.0409 -0.0276 0.0058 263 THR B C +6381 O O . THR B 262 ? 0.6350 0.6369 0.6310 -0.0408 -0.0296 0.0053 263 THR B O +6382 C CB . THR B 262 ? 0.6733 0.6690 0.6670 -0.0446 -0.0247 0.0076 263 THR B CB +6383 O OG1 . THR B 262 ? 0.6274 0.6236 0.6224 -0.0464 -0.0263 0.0063 263 THR B OG1 +6384 C CG2 . THR B 262 ? 0.6654 0.6584 0.6584 -0.0466 -0.0220 0.0087 263 THR B CG2 +6385 N N . PRO B 263 ? 0.6447 0.6541 0.6458 -0.0390 -0.0279 0.0054 264 PRO B N +6386 C CA . PRO B 263 ? 0.5828 0.5949 0.5846 -0.0368 -0.0307 0.0042 264 PRO B CA +6387 C C . PRO B 263 ? 0.6593 0.6665 0.6555 -0.0342 -0.0321 0.0049 264 PRO B C +6388 O O . PRO B 263 ? 0.6651 0.6682 0.6577 -0.0332 -0.0307 0.0063 264 PRO B O +6389 C CB . PRO B 263 ? 0.6384 0.6563 0.6440 -0.0351 -0.0302 0.0039 264 PRO B CB +6390 C CG . PRO B 263 ? 0.6554 0.6741 0.6628 -0.0369 -0.0271 0.0047 264 PRO B CG +6391 C CD . PRO B 263 ? 0.6506 0.6627 0.6537 -0.0385 -0.0257 0.0060 264 PRO B CD +6392 N N . ILE B 264 ? 0.5786 0.5863 0.5741 -0.0329 -0.0348 0.0039 265 ILE B N +6393 C CA . ILE B 264 ? 0.5730 0.5755 0.5629 -0.0308 -0.0359 0.0045 265 ILE B CA +6394 C C . ILE B 264 ? 0.6481 0.6506 0.6363 -0.0276 -0.0359 0.0052 265 ILE B C +6395 O O . ILE B 264 ? 0.6056 0.6031 0.5889 -0.0261 -0.0358 0.0062 265 ILE B O +6396 C CB . ILE B 264 ? 0.6569 0.6590 0.6457 -0.0305 -0.0388 0.0033 265 ILE B CB +6397 C CG1 . ILE B 264 ? 0.6990 0.7066 0.6909 -0.0286 -0.0410 0.0019 265 ILE B CG1 +6398 C CG2 . ILE B 264 ? 0.6348 0.6362 0.6247 -0.0338 -0.0389 0.0026 265 ILE B CG2 +6399 C CD1 . ILE B 264 ? 0.6866 0.6935 0.6767 -0.0279 -0.0440 0.0008 265 ILE B CD1 +6400 N N . GLU B 265 ? 0.5825 0.5903 0.5745 -0.0264 -0.0358 0.0047 266 GLU B N +6401 C CA . GLU B 265 ? 0.5633 0.5706 0.5533 -0.0232 -0.0356 0.0053 266 GLU B CA +6402 C C . GLU B 265 ? 0.5792 0.5834 0.5671 -0.0234 -0.0329 0.0069 266 GLU B C +6403 O O . GLU B 265 ? 0.5851 0.5868 0.5698 -0.0210 -0.0327 0.0076 266 GLU B O +6404 C CB . GLU B 265 ? 0.6387 0.6527 0.6334 -0.0217 -0.0364 0.0042 266 GLU B CB +6405 C CG . GLU B 265 ? 0.6249 0.6414 0.6204 -0.0202 -0.0396 0.0028 266 GLU B CG +6406 C CD . GLU B 265 ? 0.7371 0.7615 0.7388 -0.0197 -0.0403 0.0014 266 GLU B CD +6407 O OE1 . GLU B 265 ? 0.6680 0.6964 0.6746 -0.0225 -0.0395 0.0006 266 GLU B OE1 +6408 O OE2 . GLU B 265 ? 0.6832 0.7097 0.6850 -0.0164 -0.0417 0.0010 266 GLU B OE2 +6409 N N . LEU B 266 ? 0.6231 0.6269 0.6124 -0.0262 -0.0309 0.0073 267 LEU B N +6410 C CA . LEU B 266 ? 0.6561 0.6569 0.6434 -0.0265 -0.0284 0.0087 267 LEU B CA +6411 C C . LEU B 266 ? 0.6352 0.6297 0.6180 -0.0275 -0.0281 0.0097 267 LEU B C +6412 O O . LEU B 266 ? 0.6319 0.6228 0.6113 -0.0265 -0.0271 0.0108 267 LEU B O +6413 C CB . LEU B 266 ? 0.5925 0.5966 0.5839 -0.0287 -0.0263 0.0087 267 LEU B CB +6414 C CG . LEU B 266 ? 0.6393 0.6502 0.6358 -0.0279 -0.0262 0.0078 267 LEU B CG +6415 C CD1 . LEU B 266 ? 0.5925 0.6056 0.5920 -0.0302 -0.0234 0.0081 267 LEU B CD1 +6416 C CD2 . LEU B 266 ? 0.5719 0.5833 0.5669 -0.0244 -0.0266 0.0080 267 LEU B CD2 +6417 N N . PHE B 267 ? 0.5618 0.5551 0.5446 -0.0294 -0.0289 0.0092 268 PHE B N +6418 C CA . PHE B 267 ? 0.5606 0.5483 0.5395 -0.0304 -0.0285 0.0100 268 PHE B CA +6419 C C . PHE B 267 ? 0.6491 0.6339 0.6249 -0.0297 -0.0305 0.0096 268 PHE B C +6420 O O . PHE B 267 ? 0.6253 0.6054 0.5976 -0.0301 -0.0302 0.0102 268 PHE B O +6421 C CB . PHE B 267 ? 0.5643 0.5517 0.5449 -0.0336 -0.0272 0.0100 268 PHE B CB +6422 C CG . PHE B 267 ? 0.5866 0.5759 0.5695 -0.0346 -0.0249 0.0106 268 PHE B CG +6423 C CD1 . PHE B 267 ? 0.6519 0.6378 0.6320 -0.0341 -0.0232 0.0119 268 PHE B CD1 +6424 C CD2 . PHE B 267 ? 0.7192 0.7136 0.7069 -0.0359 -0.0244 0.0098 268 PHE B CD2 +6425 C CE1 . PHE B 267 ? 0.5999 0.5873 0.5817 -0.0350 -0.0210 0.0125 268 PHE B CE1 +6426 C CE2 . PHE B 267 ? 0.5847 0.5807 0.5743 -0.0369 -0.0221 0.0104 268 PHE B CE2 +6427 C CZ . PHE B 267 ? 0.6290 0.6213 0.6154 -0.0363 -0.0203 0.0118 268 PHE B CZ +6428 N N . GLY B 268 ? 0.6259 0.6134 0.6027 -0.0284 -0.0326 0.0085 269 GLY B N +6429 C CA . GLY B 268 ? 0.5943 0.5791 0.5681 -0.0276 -0.0345 0.0080 269 GLY B CA +6430 C C . GLY B 268 ? 0.6134 0.5993 0.5890 -0.0297 -0.0358 0.0069 269 GLY B C +6431 O O . GLY B 268 ? 0.6540 0.6419 0.6328 -0.0321 -0.0348 0.0066 269 GLY B O +6432 N N . PRO B 269 ? 0.6582 0.6426 0.6314 -0.0289 -0.0378 0.0062 270 PRO B N +6433 C CA . PRO B 269 ? 0.6222 0.6071 0.5965 -0.0308 -0.0392 0.0050 270 PRO B CA +6434 C C . PRO B 269 ? 0.7240 0.7050 0.6969 -0.0332 -0.0378 0.0055 270 PRO B C +6435 O O . PRO B 269 ? 0.6531 0.6304 0.6234 -0.0331 -0.0361 0.0067 270 PRO B O +6436 C CB . PRO B 269 ? 0.6065 0.5895 0.5773 -0.0288 -0.0415 0.0044 270 PRO B CB +6437 C CG . PRO B 269 ? 0.5593 0.5392 0.5262 -0.0264 -0.0409 0.0056 270 PRO B CG +6438 C CD . PRO B 269 ? 0.5944 0.5764 0.5636 -0.0261 -0.0391 0.0064 270 PRO B CD +6439 N N . THR B 270 ? 0.6253 0.6070 0.5999 -0.0354 -0.0385 0.0044 271 THR B N +6440 C CA . THR B 270 ? 0.6457 0.6234 0.6187 -0.0375 -0.0375 0.0047 271 THR B CA +6441 C C . THR B 270 ? 0.6227 0.5962 0.5913 -0.0368 -0.0389 0.0044 271 THR B C +6442 O O . THR B 270 ? 0.5940 0.5681 0.5613 -0.0351 -0.0408 0.0037 271 THR B O +6443 C CB . THR B 270 ? 0.6897 0.6699 0.6666 -0.0405 -0.0373 0.0038 271 THR B CB +6444 O OG1 . THR B 270 ? 0.6517 0.6332 0.6292 -0.0409 -0.0398 0.0021 271 THR B OG1 +6445 C CG2 . THR B 270 ? 0.6212 0.6065 0.6029 -0.0411 -0.0362 0.0038 271 THR B CG2 +6446 N N . ARG B 271 ? 0.5459 0.5150 0.5121 -0.0381 -0.0378 0.0049 272 ARG B N +6447 C CA . ARG B 271 ? 0.6097 0.5748 0.5718 -0.0376 -0.0389 0.0045 272 ARG B CA +6448 C C . ARG B 271 ? 0.6352 0.6017 0.5983 -0.0387 -0.0410 0.0028 272 ARG B C +6449 O O . ARG B 271 ? 0.6275 0.5921 0.5876 -0.0375 -0.0427 0.0021 272 ARG B O +6450 C CB . ARG B 271 ? 0.5945 0.5547 0.5539 -0.0386 -0.0372 0.0053 272 ARG B CB +6451 C CG . ARG B 271 ? 0.5877 0.5473 0.5488 -0.0414 -0.0367 0.0048 272 ARG B CG +6452 C CD . ARG B 271 ? 0.5615 0.5158 0.5189 -0.0419 -0.0361 0.0050 272 ARG B CD +6453 N NE . ARG B 271 ? 0.5908 0.5433 0.5457 -0.0415 -0.0379 0.0039 272 ARG B NE +6454 C CZ . ARG B 271 ? 0.6643 0.6123 0.6152 -0.0408 -0.0377 0.0040 272 ARG B CZ +6455 N NH1 . ARG B 271 ? 0.6094 0.5544 0.5585 -0.0405 -0.0359 0.0051 272 ARG B NH1 +6456 N NH2 . ARG B 271 ? 0.5770 0.5237 0.5256 -0.0404 -0.0394 0.0029 272 ARG B NH2 +6457 N N . TYR B 272 ? 0.6542 0.6240 0.6216 -0.0409 -0.0410 0.0020 273 TYR B N +6458 C CA . TYR B 272 ? 0.6079 0.5788 0.5764 -0.0424 -0.0430 0.0003 273 TYR B CA +6459 C C . TYR B 272 ? 0.6385 0.6133 0.6082 -0.0407 -0.0455 -0.0009 273 TYR B C +6460 O O . TYR B 272 ? 0.7162 0.6907 0.6850 -0.0409 -0.0477 -0.0022 273 TYR B O +6461 C CB . TYR B 272 ? 0.5912 0.5643 0.5640 -0.0455 -0.0420 -0.0002 273 TYR B CB +6462 C CG . TYR B 272 ? 0.7137 0.6821 0.6845 -0.0469 -0.0397 0.0009 273 TYR B CG +6463 C CD1 . TYR B 272 ? 0.5682 0.5318 0.5356 -0.0477 -0.0400 0.0006 273 TYR B CD1 +6464 C CD2 . TYR B 272 ? 0.5567 0.5254 0.5286 -0.0471 -0.0374 0.0024 273 TYR B CD2 +6465 C CE1 . TYR B 272 ? 0.6357 0.5950 0.6011 -0.0487 -0.0380 0.0016 273 TYR B CE1 +6466 C CE2 . TYR B 272 ? 0.6192 0.5836 0.5891 -0.0481 -0.0354 0.0034 273 TYR B CE2 +6467 C CZ . TYR B 272 ? 0.6266 0.5863 0.5933 -0.0488 -0.0358 0.0030 273 TYR B CZ +6468 O OH . TYR B 272 ? 0.6335 0.5888 0.5980 -0.0495 -0.0340 0.0040 273 TYR B OH +6469 N N . GLN B 273 ? 0.6703 0.6484 0.6417 -0.0388 -0.0454 -0.0003 274 GLN B N +6470 C CA . GLN B 273 ? 0.6194 0.6008 0.5914 -0.0368 -0.0478 -0.0013 274 GLN B CA +6471 C C . GLN B 273 ? 0.7164 0.6936 0.6827 -0.0344 -0.0492 -0.0011 274 GLN B C +6472 O O . GLN B 273 ? 0.6110 0.5897 0.5768 -0.0331 -0.0517 -0.0023 274 GLN B O +6473 C CB . GLN B 273 ? 0.5466 0.5321 0.5215 -0.0352 -0.0471 -0.0006 274 GLN B CB +6474 C CG . GLN B 273 ? 0.5895 0.5805 0.5706 -0.0373 -0.0463 -0.0012 274 GLN B CG +6475 C CD . GLN B 273 ? 0.7224 0.7165 0.7059 -0.0360 -0.0448 -0.0003 274 GLN B CD +6476 O OE1 . GLN B 273 ? 0.6611 0.6520 0.6416 -0.0347 -0.0432 0.0013 274 GLN B OE1 +6477 N NE2 . GLN B 273 ? 0.6525 0.6529 0.6413 -0.0363 -0.0453 -0.0012 274 GLN B NE2 +6478 N N . TRP B 274 ? 0.6473 0.6191 0.6092 -0.0340 -0.0475 0.0002 275 TRP B N +6479 C CA . TRP B 274 ? 0.6194 0.5868 0.5757 -0.0323 -0.0485 0.0002 275 TRP B CA +6480 C C . TRP B 274 ? 0.6858 0.6505 0.6403 -0.0339 -0.0495 -0.0009 275 TRP B C +6481 O O . TRP B 274 ? 0.7439 0.7072 0.6954 -0.0327 -0.0516 -0.0018 275 TRP B O +6482 C CB . TRP B 274 ? 0.6199 0.5830 0.5726 -0.0312 -0.0464 0.0019 275 TRP B CB +6483 C CG . TRP B 274 ? 0.6263 0.5846 0.5732 -0.0296 -0.0470 0.0020 275 TRP B CG +6484 C CD1 . TRP B 274 ? 0.5660 0.5197 0.5094 -0.0304 -0.0463 0.0021 275 TRP B CD1 +6485 C CD2 . TRP B 274 ? 0.6314 0.5888 0.5750 -0.0270 -0.0483 0.0021 275 TRP B CD2 +6486 N NE1 . TRP B 274 ? 0.6237 0.5739 0.5621 -0.0285 -0.0470 0.0022 275 TRP B NE1 +6487 C CE2 . TRP B 274 ? 0.6254 0.5777 0.5637 -0.0265 -0.0482 0.0022 275 TRP B CE2 +6488 C CE3 . TRP B 274 ? 0.6142 0.5746 0.5587 -0.0249 -0.0495 0.0021 275 TRP B CE3 +6489 C CZ2 . TRP B 274 ? 0.5634 0.5133 0.4971 -0.0241 -0.0492 0.0024 275 TRP B CZ2 +6490 C CZ3 . TRP B 274 ? 0.5873 0.5451 0.5271 -0.0225 -0.0507 0.0022 275 TRP B CZ3 +6491 C CH2 . TRP B 274 ? 0.5870 0.5394 0.5214 -0.0221 -0.0505 0.0024 275 TRP B CH2 +6492 N N . ASP B 275 ? 0.6214 0.5850 0.5774 -0.0364 -0.0481 -0.0009 276 ASP B N +6493 C CA . ASP B 275 ? 0.7087 0.6692 0.6628 -0.0380 -0.0489 -0.0019 276 ASP B CA +6494 C C . ASP B 275 ? 0.7260 0.6895 0.6816 -0.0384 -0.0518 -0.0038 276 ASP B C +6495 O O . ASP B 275 ? 0.6983 0.6589 0.6505 -0.0383 -0.0533 -0.0048 276 ASP B O +6496 C CB . ASP B 275 ? 0.6716 0.6311 0.6277 -0.0408 -0.0470 -0.0017 276 ASP B CB +6497 C CG . ASP B 275 ? 0.6632 0.6192 0.6172 -0.0404 -0.0444 0.0001 276 ASP B CG +6498 O OD1 . ASP B 275 ? 0.7285 0.6812 0.6784 -0.0386 -0.0440 0.0008 276 ASP B OD1 +6499 O OD2 . ASP B 275 ? 0.7199 0.6765 0.6764 -0.0420 -0.0426 0.0007 276 ASP B OD2 +6500 N N . SER B 276 ? 0.6379 0.6071 0.5986 -0.0389 -0.0526 -0.0045 277 SER B N +6501 C CA . SER B 276 ? 0.7078 0.6806 0.6709 -0.0395 -0.0554 -0.0065 277 SER B CA +6502 C C . SER B 276 ? 0.6846 0.6604 0.6475 -0.0367 -0.0576 -0.0069 277 SER B C +6503 O O . SER B 276 ? 0.7369 0.7167 0.7025 -0.0369 -0.0601 -0.0086 277 SER B O +6504 C CB . SER B 276 ? 0.7123 0.6897 0.6816 -0.0424 -0.0549 -0.0072 277 SER B CB +6505 O OG . SER B 276 ? 0.8055 0.7876 0.7788 -0.0416 -0.0540 -0.0065 277 SER B OG +6506 N N . SER B 277 ? 0.6504 0.6242 0.6100 -0.0340 -0.0569 -0.0055 278 SER B N +6507 C CA . SER B 277 ? 0.6739 0.6499 0.6326 -0.0309 -0.0589 -0.0057 278 SER B CA +6508 C C . SER B 277 ? 0.6999 0.6832 0.6650 -0.0311 -0.0600 -0.0067 278 SER B C +6509 O O . SER B 277 ? 0.7309 0.7173 0.6969 -0.0297 -0.0628 -0.0080 278 SER B O +6510 C CB . SER B 277 ? 0.7243 0.6975 0.6784 -0.0296 -0.0616 -0.0068 278 SER B CB +6511 O OG . SER B 277 ? 0.7424 0.7091 0.6911 -0.0299 -0.0604 -0.0062 278 SER B OG +6512 N N . TYR B 278 ? 0.6772 0.6632 0.6468 -0.0328 -0.0578 -0.0061 279 TYR B N +6513 C CA . TYR B 278 ? 0.6235 0.6166 0.5997 -0.0333 -0.0582 -0.0069 279 TYR B CA +6514 C C . TYR B 278 ? 0.7143 0.7105 0.6906 -0.0299 -0.0598 -0.0069 279 TYR B C +6515 O O . TYR B 278 ? 0.6958 0.6973 0.6757 -0.0293 -0.0621 -0.0085 279 TYR B O +6516 C CB . TYR B 278 ? 0.5745 0.5687 0.5540 -0.0353 -0.0550 -0.0057 279 TYR B CB +6517 C CG . TYR B 278 ? 0.7015 0.7029 0.6878 -0.0360 -0.0548 -0.0064 279 TYR B CG +6518 C CD1 . TYR B 278 ? 0.7409 0.7466 0.7323 -0.0387 -0.0556 -0.0081 279 TYR B CD1 +6519 C CD2 . TYR B 278 ? 0.6625 0.6664 0.6503 -0.0340 -0.0536 -0.0054 279 TYR B CD2 +6520 C CE1 . TYR B 278 ? 0.6356 0.6482 0.6335 -0.0395 -0.0552 -0.0087 279 TYR B CE1 +6521 C CE2 . TYR B 278 ? 0.6929 0.7035 0.6870 -0.0346 -0.0533 -0.0060 279 TYR B CE2 +6522 C CZ . TYR B 278 ? 0.7275 0.7425 0.7267 -0.0373 -0.0540 -0.0077 279 TYR B CZ +6523 O OH . TYR B 278 ? 0.7804 0.8024 0.7861 -0.0380 -0.0535 -0.0083 279 TYR B OH +6524 N N . PHE B 279 ? 0.6907 0.6837 0.6633 -0.0275 -0.0585 -0.0053 280 PHE B N +6525 C CA . PHE B 279 ? 0.7005 0.6958 0.6728 -0.0241 -0.0598 -0.0052 280 PHE B CA +6526 C C . PHE B 279 ? 0.6962 0.6895 0.6642 -0.0218 -0.0628 -0.0060 280 PHE B C +6527 O O . PHE B 279 ? 0.6901 0.6870 0.6592 -0.0194 -0.0651 -0.0068 280 PHE B O +6528 C CB . PHE B 279 ? 0.7442 0.7365 0.7138 -0.0224 -0.0574 -0.0032 280 PHE B CB +6529 C CG . PHE B 279 ? 0.7162 0.7106 0.6899 -0.0242 -0.0546 -0.0023 280 PHE B CG +6530 C CD1 . PHE B 279 ? 0.6242 0.6250 0.6036 -0.0240 -0.0545 -0.0028 280 PHE B CD1 +6531 C CD2 . PHE B 279 ? 0.6216 0.6119 0.5935 -0.0262 -0.0520 -0.0011 280 PHE B CD2 +6532 C CE1 . PHE B 279 ? 0.6593 0.6619 0.6422 -0.0258 -0.0517 -0.0020 280 PHE B CE1 +6533 C CE2 . PHE B 279 ? 0.6627 0.6546 0.6380 -0.0278 -0.0495 -0.0004 280 PHE B CE2 +6534 C CZ . PHE B 279 ? 0.5778 0.5759 0.5585 -0.0277 -0.0492 -0.0008 280 PHE B CZ +6535 N N . GLN B 280 ? 0.7093 0.6968 0.6719 -0.0223 -0.0630 -0.0059 281 GLN B N +6536 C CA . GLN B 280 ? 0.7151 0.7000 0.6728 -0.0201 -0.0657 -0.0066 281 GLN B CA +6537 C C . GLN B 280 ? 0.8236 0.8134 0.7847 -0.0204 -0.0690 -0.0088 281 GLN B C +6538 O O . GLN B 280 ? 0.7638 0.7543 0.7229 -0.0178 -0.0718 -0.0096 281 GLN B O +6539 C CB . GLN B 280 ? 0.7242 0.7020 0.6759 -0.0208 -0.0649 -0.0060 281 GLN B CB +6540 C CG . GLN B 280 ? 0.8327 0.8068 0.7782 -0.0183 -0.0674 -0.0065 281 GLN B CG +6541 C CD . GLN B 280 ? 0.7355 0.7037 0.6759 -0.0195 -0.0670 -0.0065 281 GLN B CD +6542 O OE1 . GLN B 280 ? 1.0323 1.0002 0.9746 -0.0224 -0.0659 -0.0069 281 GLN B OE1 +6543 N NE2 . GLN B 280 ? 0.8689 0.8321 0.8026 -0.0172 -0.0677 -0.0060 281 GLN B NE2 +6544 N N . GLN B 281 ? 0.7776 0.7707 0.7438 -0.0237 -0.0688 -0.0099 282 GLN B N +6545 C CA . GLN B 281 ? 0.7822 0.7804 0.7523 -0.0245 -0.0718 -0.0122 282 GLN B CA +6546 C C . GLN B 281 ? 0.8489 0.8544 0.8243 -0.0227 -0.0732 -0.0129 282 GLN B C +6547 O O . GLN B 281 ? 0.7997 0.8085 0.7761 -0.0213 -0.0765 -0.0146 282 GLN B O +6548 C CB . GLN B 281 ? 0.6501 0.6498 0.6244 -0.0287 -0.0708 -0.0130 282 GLN B CB +6549 C CG . GLN B 281 ? 0.7126 0.7061 0.6819 -0.0302 -0.0709 -0.0132 282 GLN B CG +6550 C CD . GLN B 281 ? 1.0318 1.0254 1.0043 -0.0343 -0.0693 -0.0136 282 GLN B CD +6551 O OE1 . GLN B 281 ? 1.0722 1.0715 1.0513 -0.0363 -0.0690 -0.0144 282 GLN B OE1 +6552 N NE2 . GLN B 281 ? 1.2271 1.2143 1.1951 -0.0355 -0.0680 -0.0131 282 GLN B NE2 +6553 N N . GLU B 282 ? 0.7204 0.7284 0.6992 -0.0227 -0.0707 -0.0117 283 GLU B N +6554 C CA . GLU B 282 ? 0.7110 0.7259 0.6950 -0.0209 -0.0717 -0.0124 283 GLU B CA +6555 C C . GLU B 282 ? 0.7925 0.8058 0.7719 -0.0164 -0.0736 -0.0120 283 GLU B C +6556 O O . GLU B 282 ? 0.7273 0.7458 0.7095 -0.0143 -0.0762 -0.0133 283 GLU B O +6557 C CB . GLU B 282 ? 0.6189 0.6362 0.6069 -0.0219 -0.0683 -0.0111 283 GLU B CB +6558 C CG . GLU B 282 ? 0.7021 0.7259 0.6947 -0.0196 -0.0688 -0.0115 283 GLU B CG +6559 C CD . GLU B 282 ? 0.7846 0.8164 0.7839 -0.0204 -0.0714 -0.0139 283 GLU B CD +6560 O OE1 . GLU B 282 ? 0.8375 0.8701 0.8388 -0.0235 -0.0721 -0.0152 283 GLU B OE1 +6561 O OE2 . GLU B 282 ? 0.8091 0.8462 0.8115 -0.0178 -0.0727 -0.0145 283 GLU B OE2 +6562 N N . ILE B 283 ? 0.7890 0.7951 0.7615 -0.0150 -0.0724 -0.0103 284 ILE B N +6563 C CA . ILE B 283 ? 0.7603 0.7634 0.7273 -0.0109 -0.0739 -0.0097 284 ILE B CA +6564 C C . ILE B 283 ? 0.7247 0.7277 0.6891 -0.0095 -0.0778 -0.0114 284 ILE B C +6565 O O . ILE B 283 ? 0.7893 0.7949 0.7537 -0.0064 -0.0805 -0.0121 284 ILE B O +6566 C CB . ILE B 283 ? 0.7314 0.7266 0.6916 -0.0103 -0.0715 -0.0076 284 ILE B CB +6567 C CG1 . ILE B 283 ? 0.7176 0.7135 0.6801 -0.0105 -0.0682 -0.0060 284 ILE B CG1 +6568 C CG2 . ILE B 283 ? 0.6694 0.6599 0.6224 -0.0066 -0.0734 -0.0072 284 ILE B CG2 +6569 C CD1 . ILE B 283 ? 0.6716 0.6604 0.6284 -0.0106 -0.0655 -0.0040 284 ILE B CD1 +6570 N N . ASN B 284 ? 0.7016 0.7014 0.6638 -0.0118 -0.0783 -0.0120 285 ASN B N +6571 C CA . ASN B 284 ? 0.6975 0.6965 0.6567 -0.0108 -0.0819 -0.0136 285 ASN B CA +6572 C C . ASN B 284 ? 0.9469 0.9542 0.9129 -0.0108 -0.0849 -0.0159 285 ASN B C +6573 O O . ASN B 284 ? 0.8314 0.8401 0.7958 -0.0079 -0.0883 -0.0170 285 ASN B O +6574 C CB . ASN B 284 ? 0.7788 0.7731 0.7349 -0.0136 -0.0814 -0.0139 285 ASN B CB +6575 C CG . ASN B 284 ? 1.1098 1.0955 1.0582 -0.0129 -0.0793 -0.0120 285 ASN B CG +6576 O OD1 . ASN B 284 ? 1.1052 1.0879 1.0492 -0.0099 -0.0789 -0.0107 285 ASN B OD1 +6577 N ND2 . ASN B 284 ? 1.0570 1.0387 1.0035 -0.0156 -0.0778 -0.0119 285 ASN B ND2 +6578 N N . ARG B 285 ? 0.7584 0.7713 0.7319 -0.0140 -0.0836 -0.0166 286 ARG B N +6579 C CA . ARG B 285 ? 0.9094 0.9310 0.8903 -0.0144 -0.0862 -0.0188 286 ARG B CA +6580 C C . ARG B 285 ? 0.9623 0.9881 0.9446 -0.0103 -0.0877 -0.0189 286 ARG B C +6581 O O . ARG B 285 ? 0.9381 0.9683 0.9222 -0.0085 -0.0914 -0.0207 286 ARG B O +6582 C CB . ARG B 285 ? 0.7307 0.7571 0.7192 -0.0184 -0.0837 -0.0191 286 ARG B CB +6583 C CG . ARG B 285 ? 0.9740 1.0096 0.9707 -0.0195 -0.0860 -0.0216 286 ARG B CG +6584 C CD . ARG B 285 ? 1.0815 1.1223 1.0858 -0.0230 -0.0830 -0.0215 286 ARG B CD +6585 N NE . ARG B 285 ? 1.0483 1.0909 1.0543 -0.0211 -0.0807 -0.0200 286 ARG B NE +6586 C CZ . ARG B 285 ? 1.0459 1.0948 1.0559 -0.0183 -0.0820 -0.0207 286 ARG B CZ +6587 N NH1 . ARG B 285 ? 1.5442 1.5988 1.5574 -0.0171 -0.0858 -0.0229 286 ARG B NH1 +6588 N NH2 . ARG B 285 ? 0.8076 0.8571 0.8181 -0.0165 -0.0797 -0.0191 286 ARG B NH2 +6589 N N . ARG B 286 ? 0.7872 0.8115 0.7685 -0.0087 -0.0851 -0.0170 287 ARG B N +6590 C CA . ARG B 286 ? 0.9234 0.9513 0.9058 -0.0047 -0.0864 -0.0169 287 ARG B CA +6591 C C . ARG B 286 ? 0.9317 0.9554 0.9070 -0.0006 -0.0894 -0.0170 287 ARG B C +6592 O O . ARG B 286 ? 0.9543 0.9820 0.9309 0.0026 -0.0922 -0.0180 287 ARG B O +6593 C CB . ARG B 286 ? 0.7264 0.7528 0.7087 -0.0040 -0.0828 -0.0148 287 ARG B CB +6594 C CG . ARG B 286 ? 0.7920 0.8231 0.7813 -0.0073 -0.0799 -0.0147 287 ARG B CG +6595 C CD . ARG B 286 ? 0.7666 0.7969 0.7558 -0.0060 -0.0769 -0.0129 287 ARG B CD +6596 N NE . ARG B 286 ? 0.8948 0.9293 0.8905 -0.0093 -0.0740 -0.0128 287 ARG B NE +6597 C CZ . ARG B 286 ? 0.9430 0.9802 0.9417 -0.0086 -0.0718 -0.0119 287 ARG B CZ +6598 N NH1 . ARG B 286 ? 0.8669 0.9035 0.8632 -0.0046 -0.0721 -0.0112 287 ARG B NH1 +6599 N NH2 . ARG B 286 ? 0.8567 0.8971 0.8607 -0.0119 -0.0690 -0.0118 287 ARG B NH2 +6600 N N . VAL B 287 ? 0.9044 0.9196 0.8717 -0.0007 -0.0888 -0.0158 288 VAL B N +6601 C CA . VAL B 287 ? 1.0109 1.0210 0.9704 0.0031 -0.0914 -0.0156 288 VAL B CA +6602 C C . VAL B 287 ? 1.0292 1.0419 0.9891 0.0033 -0.0956 -0.0180 288 VAL B C +6603 O O . VAL B 287 ? 1.0347 1.0481 0.9923 0.0070 -0.0989 -0.0188 288 VAL B O +6604 C CB . VAL B 287 ? 0.7601 0.7605 0.7113 0.0027 -0.0891 -0.0137 288 VAL B CB +6605 C CG1 . VAL B 287 ? 0.8378 0.8324 0.7806 0.0058 -0.0917 -0.0137 288 VAL B CG1 +6606 C CG2 . VAL B 287 ? 0.7007 0.6986 0.6508 0.0035 -0.0856 -0.0114 288 VAL B CG2 +6607 N N . GLN B 288 ? 0.9929 1.0070 0.9558 -0.0005 -0.0958 -0.0193 289 GLN B N +6608 C CA . GLN B 288 ? 0.8718 0.8898 0.8367 -0.0008 -0.0998 -0.0218 289 GLN B CA +6609 C C . GLN B 288 ? 1.0111 1.0384 0.9831 0.0010 -0.1024 -0.0235 289 GLN B C +6610 O O . GLN B 288 ? 1.1155 1.1446 1.0863 0.0038 -0.1064 -0.0250 289 GLN B O +6611 C CB . GLN B 288 ? 0.8123 0.8314 0.7808 -0.0057 -0.0990 -0.0229 289 GLN B CB +6612 C CG . GLN B 288 ? 1.1106 1.1211 1.0726 -0.0076 -0.0967 -0.0216 289 GLN B CG +6613 C CD . GLN B 288 ? 1.3897 1.3926 1.3420 -0.0043 -0.0978 -0.0207 289 GLN B CD +6614 O OE1 . GLN B 288 ? 1.6280 1.6301 1.5770 -0.0028 -0.1014 -0.0221 289 GLN B OE1 +6615 N NE2 . GLN B 288 ? 1.6114 1.6087 1.5590 -0.0031 -0.0948 -0.0182 289 GLN B NE2 +6616 N N . ALA B 289 ? 0.8395 0.8728 0.8191 -0.0005 -0.1000 -0.0233 290 ALA B N +6617 C CA . ALA B 289 ? 1.0076 1.0503 0.9948 0.0011 -0.1022 -0.0250 290 ALA B CA +6618 C C . ALA B 289 ? 1.1469 1.1889 1.1301 0.0066 -0.1044 -0.0246 290 ALA B C +6619 O O . ALA B 289 ? 1.1428 1.1902 1.1285 0.0090 -0.1083 -0.0265 290 ALA B O +6620 C CB . ALA B 289 ? 0.8611 0.9094 0.8562 -0.0013 -0.0987 -0.0245 290 ALA B CB +6621 N N . SER B 290 ? 1.0642 1.0993 1.0410 0.0088 -0.1021 -0.0222 291 SER B N +6622 C CA . SER B 290 ? 0.9681 1.0013 0.9401 0.0141 -0.1041 -0.0216 291 SER B CA +6623 C C . SER B 290 ? 1.1309 1.1600 1.0960 0.0164 -0.1081 -0.0226 291 SER B C +6624 O O . SER B 290 ? 0.9844 1.0171 0.9499 0.0200 -0.1118 -0.0239 291 SER B O +6625 C CB . SER B 290 ? 0.9478 0.9739 0.9141 0.0153 -0.1005 -0.0188 291 SER B CB +6626 O OG . SER B 290 ? 0.9847 1.0155 0.9571 0.0149 -0.0978 -0.0182 291 SER B OG +6627 N N . LEU B 291 ? 0.9909 1.0125 0.9496 0.0145 -0.1073 -0.0219 292 LEU B N +6628 C CA . LEU B 291 ? 0.9916 1.0086 0.9431 0.0165 -0.1109 -0.0227 292 LEU B CA +6629 C C . LEU B 291 ? 1.1337 1.1581 1.0905 0.0164 -0.1152 -0.0257 292 LEU B C +6630 O O . LEU B 291 ? 1.2321 1.2569 1.1858 0.0201 -0.1193 -0.0268 292 LEU B O +6631 C CB . LEU B 291 ? 0.8188 0.8276 0.7640 0.0138 -0.1089 -0.0217 292 LEU B CB +6632 C CG . LEU B 291 ? 0.8900 0.8901 0.8280 0.0145 -0.1052 -0.0188 292 LEU B CG +6633 C CD1 . LEU B 291 ? 0.9586 0.9515 0.8911 0.0118 -0.1036 -0.0182 292 LEU B CD1 +6634 C CD2 . LEU B 291 ? 0.8277 0.8235 0.7586 0.0195 -0.1068 -0.0179 292 LEU B CD2 +6635 N N . ALA B 292 ? 1.1889 1.2193 1.1537 0.0120 -0.1145 -0.0271 293 ALA B N +6636 C CA . ALA B 292 ? 1.0678 1.1063 1.0389 0.0114 -0.1185 -0.0301 293 ALA B CA +6637 C C . ALA B 292 ? 1.0888 1.1349 1.0647 0.0153 -0.1210 -0.0311 293 ALA B C +6638 O O . ALA B 292 ? 1.4874 1.5381 1.4651 0.0170 -0.1255 -0.0334 293 ALA B O +6639 C CB . ALA B 292 ? 0.8950 0.9387 0.8745 0.0059 -0.1165 -0.0311 293 ALA B CB +6640 N N . SER B 293 ? 1.0124 1.0600 0.9906 0.0167 -0.1183 -0.0296 294 SER B N +6641 C CA . SER B 293 ? 1.0061 1.0610 0.9891 0.0205 -0.1204 -0.0305 294 SER B CA +6642 C C . SER B 293 ? 1.2505 1.2999 1.2252 0.0262 -0.1225 -0.0295 294 SER B C +6643 O O . SER B 293 ? 1.2124 1.2659 1.1895 0.0298 -0.1232 -0.0295 294 SER B O +6644 C CB . SER B 293 ? 1.0940 1.1539 1.0842 0.0191 -0.1166 -0.0296 294 SER B CB +6645 O OG . SER B 293 ? 1.5399 1.5947 1.5249 0.0225 -0.1146 -0.0273 294 SER B OG +6646 N N . GLY B 294 ? 1.0637 1.1037 1.0283 0.0272 -0.1233 -0.0286 295 GLY B N +6647 C CA . GLY B 294 ? 1.1880 1.2225 1.1440 0.0326 -0.1258 -0.0279 295 GLY B CA +6648 C C . GLY B 294 ? 1.0664 1.0925 1.0151 0.0346 -0.1224 -0.0248 295 GLY B C +6649 O O . GLY B 294 ? 1.2910 1.3111 1.2313 0.0388 -0.1242 -0.0241 295 GLY B O +6650 N N . ALA B 295 ? 1.0627 1.0880 1.0139 0.0318 -0.1177 -0.0232 296 ALA B N +6651 C CA . ALA B 295 ? 1.0315 1.0491 0.9761 0.0336 -0.1146 -0.0204 296 ALA B CA +6652 C C . ALA B 295 ? 0.8890 0.8957 0.8230 0.0332 -0.1138 -0.0190 296 ALA B C +6653 O O . ALA B 295 ? 0.9390 0.9441 0.8717 0.0305 -0.1146 -0.0198 296 ALA B O +6654 C CB . ALA B 295 ? 1.3805 1.4002 1.3306 0.0304 -0.1099 -0.0191 296 ALA B CB +6655 N N . THR B 296 ? 0.9416 0.9406 0.8680 0.0358 -0.1122 -0.0168 297 THR B N +6656 C CA . THR B 296 ? 1.0526 1.0414 0.9693 0.0352 -0.1108 -0.0152 297 THR B CA +6657 C C . THR B 296 ? 1.0265 1.0128 0.9446 0.0305 -0.1061 -0.0138 297 THR B C +6658 O O . THR B 296 ? 1.1044 1.0961 1.0301 0.0281 -0.1037 -0.0137 297 THR B O +6659 C CB . THR B 296 ? 1.1118 1.0927 1.0192 0.0395 -0.1107 -0.0134 297 THR B CB +6660 O OG1 . THR B 296 ? 0.9211 0.9018 0.8304 0.0398 -0.1073 -0.0117 297 THR B OG1 +6661 C CG2 . THR B 296 ? 1.0740 1.0568 0.9794 0.0445 -0.1155 -0.0147 297 THR B CG2 +6662 N N . LEU B 297 ? 1.0980 1.0759 1.0085 0.0293 -0.1047 -0.0127 298 LEU B N +6663 C CA . LEU B 297 ? 1.0339 1.0083 0.9444 0.0254 -0.1002 -0.0112 298 LEU B CA +6664 C C . LEU B 297 ? 1.0348 1.0084 0.9463 0.0259 -0.0968 -0.0093 298 LEU B C +6665 O O . LEU B 297 ? 0.8415 0.8173 0.7581 0.0227 -0.0937 -0.0087 298 LEU B O +6666 C CB . LEU B 297 ? 1.0576 1.0226 0.9586 0.0250 -0.0995 -0.0102 298 LEU B CB +6667 C CG . LEU B 297 ? 1.2154 1.1787 1.1171 0.0205 -0.0973 -0.0102 298 LEU B CG +6668 C CD1 . LEU B 297 ? 1.0971 1.0687 1.0079 0.0176 -0.0985 -0.0122 298 LEU B CD1 +6669 C CD2 . LEU B 297 ? 1.0245 0.9803 0.9171 0.0212 -0.0985 -0.0102 298 LEU B CD2 +6670 N N . GLU B 298 ? 0.9390 0.9089 0.8452 0.0300 -0.0975 -0.0083 299 GLU B N +6671 C CA . GLU B 298 ? 0.8607 0.8292 0.7672 0.0307 -0.0944 -0.0065 299 GLU B CA +6672 C C . GLU B 298 ? 0.9186 0.8962 0.8347 0.0306 -0.0943 -0.0074 299 GLU B C +6673 O O . GLU B 298 ? 0.9288 0.9071 0.8479 0.0290 -0.0909 -0.0062 299 GLU B O +6674 C CB . GLU B 298 ? 0.8644 0.8262 0.7623 0.0352 -0.0953 -0.0053 299 GLU B CB +6675 C CG . GLU B 298 ? 1.2431 1.1947 1.1317 0.0345 -0.0931 -0.0035 299 GLU B CG +6676 C CD . GLU B 298 ? 1.5373 1.4824 1.4164 0.0383 -0.0957 -0.0033 299 GLU B CD +6677 O OE1 . GLU B 298 ? 1.4918 1.4324 1.3658 0.0416 -0.0955 -0.0021 299 GLU B OE1 +6678 O OE2 . GLU B 298 ? 1.3211 1.2650 1.1974 0.0381 -0.0980 -0.0044 299 GLU B OE2 +6679 N N . GLU B 299 ? 0.9252 0.9102 0.8464 0.0321 -0.0979 -0.0094 300 GLU B N +6680 C CA . GLU B 299 ? 1.0302 1.0244 0.9610 0.0317 -0.0976 -0.0104 300 GLU B CA +6681 C C . GLU B 299 ? 0.9434 0.9424 0.8817 0.0266 -0.0955 -0.0110 300 GLU B C +6682 O O . GLU B 299 ? 0.9895 0.9928 0.9339 0.0251 -0.0930 -0.0106 300 GLU B O +6683 C CB . GLU B 299 ? 0.9289 0.9297 0.8630 0.0350 -0.1022 -0.0125 300 GLU B CB +6684 C CG . GLU B 299 ? 1.0794 1.0769 1.0078 0.0405 -0.1040 -0.0119 300 GLU B CG +6685 C CD . GLU B 299 ? 1.1785 1.1761 1.1033 0.0437 -0.1089 -0.0135 300 GLU B CD +6686 O OE1 . GLU B 299 ? 1.1852 1.1886 1.1149 0.0421 -0.1114 -0.0155 300 GLU B OE1 +6687 O OE2 . GLU B 299 ? 1.3008 1.2922 1.2176 0.0478 -0.1103 -0.0126 300 GLU B OE2 +6688 N N . ALA B 300 ? 1.0554 1.0537 0.9932 0.0240 -0.0966 -0.0120 301 ALA B N +6689 C CA . ALA B 300 ? 0.8960 0.8983 0.8403 0.0191 -0.0946 -0.0125 301 ALA B CA +6690 C C . ALA B 300 ? 0.9889 0.9870 0.9322 0.0166 -0.0900 -0.0104 301 ALA B C +6691 O O . ALA B 300 ? 0.7696 0.7724 0.7196 0.0141 -0.0877 -0.0104 301 ALA B O +6692 C CB . ALA B 300 ? 0.9362 0.9367 0.8783 0.0170 -0.0965 -0.0138 301 ALA B CB +6693 N N . TRP B 301 ? 0.8228 0.8120 0.7577 0.0173 -0.0885 -0.0087 302 TRP B N +6694 C CA . TRP B 301 ? 0.8980 0.8832 0.8320 0.0149 -0.0842 -0.0068 302 TRP B CA +6695 C C . TRP B 301 ? 0.8934 0.8796 0.8289 0.0166 -0.0822 -0.0056 302 TRP B C +6696 O O . TRP B 301 ? 0.8538 0.8410 0.7928 0.0142 -0.0791 -0.0047 302 TRP B O +6697 C CB . TRP B 301 ? 0.7474 0.7232 0.6724 0.0148 -0.0832 -0.0055 302 TRP B CB +6698 C CG . TRP B 301 ? 0.8819 0.8567 0.8065 0.0117 -0.0837 -0.0064 302 TRP B CG +6699 C CD1 . TRP B 301 ? 0.7452 0.7179 0.6657 0.0126 -0.0866 -0.0075 302 TRP B CD1 +6700 C CD2 . TRP B 301 ? 0.7582 0.7338 0.6865 0.0075 -0.0812 -0.0063 302 TRP B CD2 +6701 N NE1 . TRP B 301 ? 0.8483 0.8204 0.7696 0.0092 -0.0861 -0.0082 302 TRP B NE1 +6702 C CE2 . TRP B 301 ? 0.7736 0.7475 0.6997 0.0060 -0.0827 -0.0074 302 TRP B CE2 +6703 C CE3 . TRP B 301 ? 0.7339 0.7112 0.6667 0.0049 -0.0778 -0.0054 302 TRP B CE3 +6704 C CZ2 . TRP B 301 ? 0.7923 0.7660 0.7207 0.0021 -0.0810 -0.0076 302 TRP B CZ2 +6705 C CZ3 . TRP B 301 ? 0.7281 0.7052 0.6631 0.0011 -0.0761 -0.0055 302 TRP B CZ3 +6706 C CH2 . TRP B 301 ? 0.8274 0.8028 0.7602 -0.0003 -0.0777 -0.0067 302 TRP B CH2 +6707 N N . SER B 302 ? 0.8429 0.8285 0.7756 0.0208 -0.0841 -0.0055 303 SER B N +6708 C CA . SER B 302 ? 0.7862 0.7727 0.7203 0.0226 -0.0823 -0.0045 303 SER B CA +6709 C C . SER B 302 ? 0.8633 0.8589 0.8071 0.0214 -0.0818 -0.0055 303 SER B C +6710 O O . SER B 302 ? 0.8789 0.8754 0.8247 0.0216 -0.0793 -0.0045 303 SER B O +6711 C CB . SER B 302 ? 0.8427 0.8266 0.7716 0.0276 -0.0846 -0.0043 303 SER B CB +6712 O OG . SER B 302 ? 0.9302 0.9050 0.8497 0.0286 -0.0846 -0.0031 303 SER B OG +6713 N N . ALA B 303 ? 0.7877 0.7902 0.7375 0.0200 -0.0839 -0.0075 304 ALA B N +6714 C CA . ALA B 303 ? 0.8368 0.8480 0.7960 0.0182 -0.0831 -0.0085 304 ALA B CA +6715 C C . ALA B 303 ? 0.8947 0.9062 0.8574 0.0135 -0.0797 -0.0079 304 ALA B C +6716 O O . ALA B 303 ? 0.7924 0.8105 0.7626 0.0117 -0.0785 -0.0086 304 ALA B O +6717 C CB . ALA B 303 ? 0.7783 0.7970 0.7430 0.0184 -0.0868 -0.0110 304 ALA B CB +6718 N N . ILE B 304 ? 0.7173 0.7217 0.6747 0.0114 -0.0781 -0.0067 305 ILE B N +6719 C CA . ILE B 304 ? 0.7751 0.7794 0.7354 0.0071 -0.0749 -0.0061 305 ILE B CA +6720 C C . ILE B 304 ? 0.7494 0.7526 0.7100 0.0074 -0.0716 -0.0044 305 ILE B C +6721 O O . ILE B 304 ? 0.7969 0.7942 0.7514 0.0097 -0.0709 -0.0030 305 ILE B O +6722 C CB . ILE B 304 ? 0.7076 0.7052 0.6624 0.0050 -0.0744 -0.0056 305 ILE B CB +6723 C CG1 . ILE B 304 ? 0.6858 0.6855 0.6414 0.0043 -0.0776 -0.0074 305 ILE B CG1 +6724 C CG2 . ILE B 304 ? 0.7222 0.7189 0.6792 0.0011 -0.0709 -0.0046 305 ILE B CG2 +6725 C CD1 . ILE B 304 ? 0.6717 0.6793 0.6359 0.0014 -0.0780 -0.0091 305 ILE B CD1 +6726 N N . PRO B 305 ? 0.7784 0.7867 0.7456 0.0053 -0.0696 -0.0046 306 PRO B N +6727 C CA . PRO B 305 ? 0.7358 0.7428 0.7031 0.0054 -0.0664 -0.0030 306 PRO B CA +6728 C C . PRO B 305 ? 0.6975 0.6967 0.6592 0.0037 -0.0639 -0.0013 306 PRO B C +6729 O O . PRO B 305 ? 0.7486 0.7459 0.7098 0.0007 -0.0633 -0.0013 306 PRO B O +6730 C CB . PRO B 305 ? 0.7209 0.7350 0.6965 0.0027 -0.0649 -0.0037 306 PRO B CB +6731 C CG . PRO B 305 ? 0.7543 0.7748 0.7348 0.0024 -0.0678 -0.0059 306 PRO B CG +6732 C CD . PRO B 305 ? 0.6331 0.6489 0.6082 0.0026 -0.0701 -0.0062 306 PRO B CD +6733 N N . GLU B 306 ? 0.7336 0.7284 0.6911 0.0056 -0.0624 0.0002 307 GLU B N +6734 C CA . GLU B 306 ? 0.7900 0.7780 0.7428 0.0041 -0.0598 0.0019 307 GLU B CA +6735 C C . GLU B 306 ? 0.6656 0.6552 0.6225 0.0002 -0.0572 0.0022 307 GLU B C +6736 O O . GLU B 306 ? 0.7849 0.7700 0.7389 -0.0019 -0.0558 0.0030 307 GLU B O +6737 C CB . GLU B 306 ? 0.7609 0.7451 0.7098 0.0066 -0.0585 0.0032 307 GLU B CB +6738 C CG . GLU B 306 ? 0.8394 0.8178 0.7811 0.0096 -0.0601 0.0037 307 GLU B CG +6739 C CD . GLU B 306 ? 0.9723 0.9449 0.9091 0.0106 -0.0579 0.0054 307 GLU B CD +6740 O OE1 . GLU B 306 ? 1.1053 1.0801 1.0449 0.0111 -0.0563 0.0057 307 GLU B OE1 +6741 O OE2 . GLU B 306 ? 0.8950 0.8609 0.8254 0.0109 -0.0576 0.0062 307 GLU B OE2 +6742 N N . LYS B 307 ? 0.6918 0.6878 0.6553 -0.0006 -0.0564 0.0016 308 LYS B N +6743 C CA . LYS B 307 ? 0.6828 0.6801 0.6499 -0.0042 -0.0539 0.0020 308 LYS B CA +6744 C C . LYS B 307 ? 0.7116 0.7092 0.6799 -0.0071 -0.0547 0.0011 308 LYS B C +6745 O O . LYS B 307 ? 0.6873 0.6820 0.6548 -0.0098 -0.0528 0.0018 308 LYS B O +6746 C CB . LYS B 307 ? 0.7445 0.7485 0.7181 -0.0043 -0.0529 0.0015 308 LYS B CB +6747 C CG . LYS B 307 ? 0.6569 0.6619 0.6338 -0.0076 -0.0500 0.0021 308 LYS B CG +6748 C CD . LYS B 307 ? 0.6235 0.6346 0.6061 -0.0072 -0.0488 0.0018 308 LYS B CD +6749 C CE . LYS B 307 ? 0.6137 0.6259 0.5995 -0.0105 -0.0459 0.0023 308 LYS B CE +6750 N NZ . LYS B 307 ? 0.6203 0.6389 0.6118 -0.0103 -0.0447 0.0018 308 LYS B NZ +6751 N N . LEU B 308 ? 0.7792 0.7802 0.7492 -0.0065 -0.0576 -0.0005 309 LEU B N +6752 C CA . LEU B 308 ? 0.7325 0.7337 0.7036 -0.0093 -0.0585 -0.0014 309 LEU B CA +6753 C C . LEU B 308 ? 0.7607 0.7545 0.7249 -0.0094 -0.0586 -0.0007 309 LEU B C +6754 O O . LEU B 308 ? 0.6908 0.6824 0.6546 -0.0122 -0.0577 -0.0007 309 LEU B O +6755 C CB . LEU B 308 ? 0.6859 0.6929 0.6607 -0.0086 -0.0617 -0.0035 309 LEU B CB +6756 C CG . LEU B 308 ? 0.6752 0.6825 0.6509 -0.0112 -0.0632 -0.0048 309 LEU B CG +6757 C CD1 . LEU B 308 ? 0.6013 0.6108 0.5818 -0.0152 -0.0609 -0.0049 309 LEU B CD1 +6758 C CD2 . LEU B 308 ? 0.6923 0.7050 0.6709 -0.0098 -0.0667 -0.0068 309 LEU B CD2 +6759 N N . ALA B 309 ? 0.6560 0.6457 0.6146 -0.0064 -0.0596 -0.0002 310 ALA B N +6760 C CA . ALA B 309 ? 0.7191 0.7017 0.6709 -0.0065 -0.0595 0.0006 310 ALA B CA +6761 C C . ALA B 309 ? 0.6925 0.6710 0.6427 -0.0084 -0.0562 0.0021 310 ALA B C +6762 O O . ALA B 309 ? 0.6821 0.6565 0.6294 -0.0101 -0.0555 0.0024 310 ALA B O +6763 C CB . ALA B 309 ? 0.6207 0.5996 0.5667 -0.0028 -0.0611 0.0010 310 ALA B CB +6764 N N . PHE B 310 ? 0.6654 0.6449 0.6173 -0.0080 -0.0542 0.0031 311 PHE B N +6765 C CA . PHE B 310 ? 0.6521 0.6280 0.6027 -0.0096 -0.0512 0.0045 311 PHE B CA +6766 C C . PHE B 310 ? 0.6758 0.6528 0.6296 -0.0131 -0.0500 0.0043 311 PHE B C +6767 O O . PHE B 310 ? 0.6737 0.6466 0.6251 -0.0146 -0.0482 0.0052 311 PHE B O +6768 C CB . PHE B 310 ? 0.5480 0.5254 0.5002 -0.0084 -0.0496 0.0054 311 PHE B CB +6769 C CG . PHE B 310 ? 0.6768 0.6497 0.6263 -0.0092 -0.0469 0.0069 311 PHE B CG +6770 C CD1 . PHE B 310 ? 0.6222 0.5889 0.5659 -0.0089 -0.0465 0.0077 311 PHE B CD1 +6771 C CD2 . PHE B 310 ? 0.6302 0.6052 0.5829 -0.0101 -0.0448 0.0075 311 PHE B CD2 +6772 C CE1 . PHE B 310 ? 0.6235 0.5865 0.5650 -0.0097 -0.0441 0.0090 311 PHE B CE1 +6773 C CE2 . PHE B 310 ? 0.5818 0.5529 0.5321 -0.0107 -0.0425 0.0088 311 PHE B CE2 +6774 C CZ . PHE B 310 ? 0.6494 0.6146 0.5943 -0.0105 -0.0422 0.0095 311 PHE B CZ +6775 N N . TYR B 311 ? 0.6511 0.6337 0.6104 -0.0145 -0.0509 0.0030 312 TYR B N +6776 C CA . TYR B 311 ? 0.6385 0.6218 0.6005 -0.0178 -0.0498 0.0027 312 TYR B CA +6777 C C . TYR B 311 ? 0.6562 0.6354 0.6145 -0.0188 -0.0508 0.0023 312 TYR B C +6778 O O . TYR B 311 ? 0.6792 0.6565 0.6377 -0.0213 -0.0495 0.0025 312 TYR B O +6779 C CB . TYR B 311 ? 0.5672 0.5572 0.5357 -0.0192 -0.0507 0.0014 312 TYR B CB +6780 C CG . TYR B 311 ? 0.7057 0.6999 0.6787 -0.0193 -0.0489 0.0018 312 TYR B CG +6781 C CD1 . TYR B 311 ? 0.6711 0.6629 0.6434 -0.0202 -0.0460 0.0032 312 TYR B CD1 +6782 C CD2 . TYR B 311 ? 0.6168 0.6175 0.5947 -0.0184 -0.0501 0.0007 312 TYR B CD2 +6783 C CE1 . TYR B 311 ? 0.6722 0.6676 0.6483 -0.0202 -0.0444 0.0036 312 TYR B CE1 +6784 C CE2 . TYR B 311 ? 0.6108 0.6153 0.5927 -0.0184 -0.0483 0.0010 312 TYR B CE2 +6785 C CZ . TYR B 311 ? 0.5949 0.5966 0.5758 -0.0193 -0.0454 0.0025 312 TYR B CZ +6786 O OH . TYR B 311 ? 0.6745 0.6798 0.6590 -0.0193 -0.0437 0.0028 312 TYR B OH +6787 N N . ASP B 312 ? 0.6547 0.6324 0.6095 -0.0168 -0.0532 0.0017 313 ASP B N +6788 C CA . ASP B 312 ? 0.6997 0.6738 0.6509 -0.0176 -0.0543 0.0011 313 ASP B CA +6789 C C . ASP B 312 ? 0.6978 0.6651 0.6427 -0.0168 -0.0530 0.0024 313 ASP B C +6790 O O . ASP B 312 ? 0.6843 0.6481 0.6243 -0.0153 -0.0543 0.0023 313 ASP B O +6791 C CB . ASP B 312 ? 0.6532 0.6292 0.6039 -0.0159 -0.0577 -0.0004 313 ASP B CB +6792 C CG . ASP B 312 ? 0.7020 0.6756 0.6503 -0.0172 -0.0590 -0.0014 313 ASP B CG +6793 O OD1 . ASP B 312 ? 0.7093 0.6817 0.6587 -0.0200 -0.0576 -0.0014 313 ASP B OD1 +6794 O OD2 . ASP B 312 ? 0.6851 0.6576 0.6302 -0.0154 -0.0615 -0.0022 313 ASP B OD2 +6795 N N . TYR B 313 ? 0.6636 0.6292 0.6086 -0.0178 -0.0503 0.0037 314 TYR B N +6796 C CA . TYR B 313 ? 0.6731 0.6330 0.6129 -0.0171 -0.0487 0.0050 314 TYR B CA +6797 C C . TYR B 313 ? 0.6613 0.6198 0.6023 -0.0195 -0.0462 0.0057 314 TYR B C +6798 O O . TYR B 313 ? 0.6215 0.5830 0.5666 -0.0207 -0.0450 0.0059 314 TYR B O +6799 C CB . TYR B 313 ? 0.6038 0.5633 0.5422 -0.0147 -0.0482 0.0060 314 TYR B CB +6800 C CG . TYR B 313 ? 0.6300 0.5846 0.5646 -0.0145 -0.0459 0.0074 314 TYR B CG +6801 C CD1 . TYR B 313 ? 0.5977 0.5470 0.5268 -0.0142 -0.0458 0.0077 314 TYR B CD1 +6802 C CD2 . TYR B 313 ? 0.5877 0.5429 0.5240 -0.0148 -0.0439 0.0084 314 TYR B CD2 +6803 C CE1 . TYR B 313 ? 0.6058 0.5510 0.5318 -0.0143 -0.0437 0.0089 314 TYR B CE1 +6804 C CE2 . TYR B 313 ? 0.6631 0.6141 0.5962 -0.0148 -0.0420 0.0096 314 TYR B CE2 +6805 C CZ . TYR B 313 ? 0.7062 0.6523 0.6343 -0.0146 -0.0418 0.0098 314 TYR B CZ +6806 O OH . TYR B 313 ? 0.6264 0.5686 0.5516 -0.0148 -0.0398 0.0109 314 TYR B OH +6807 N N . ILE B 314 ? 0.6271 0.5811 0.5643 -0.0202 -0.0456 0.0060 315 ILE B N +6808 C CA . ILE B 314 ? 0.5708 0.5235 0.5091 -0.0225 -0.0436 0.0064 315 ILE B CA +6809 C C . ILE B 314 ? 0.7264 0.6785 0.6653 -0.0224 -0.0413 0.0078 315 ILE B C +6810 O O . ILE B 314 ? 0.6473 0.5998 0.5884 -0.0242 -0.0397 0.0081 315 ILE B O +6811 C CB . ILE B 314 ? 0.7255 0.6737 0.6597 -0.0230 -0.0434 0.0062 315 ILE B CB +6812 C CG1 . ILE B 314 ? 0.6534 0.6015 0.5897 -0.0255 -0.0425 0.0059 315 ILE B CG1 +6813 C CG2 . ILE B 314 ? 0.5728 0.5166 0.5026 -0.0219 -0.0419 0.0074 315 ILE B CG2 +6814 C CD1 . ILE B 314 ? 0.6194 0.5628 0.5518 -0.0261 -0.0419 0.0058 315 ILE B CD1 +6815 N N . GLY B 315 ? 0.6326 0.5837 0.5693 -0.0204 -0.0411 0.0085 316 GLY B N +6816 C CA . GLY B 315 ? 0.5629 0.5136 0.5001 -0.0204 -0.0390 0.0096 316 GLY B CA +6817 C C . GLY B 315 ? 0.6375 0.5924 0.5797 -0.0213 -0.0384 0.0097 316 GLY B C +6818 O O . GLY B 315 ? 0.6251 0.5796 0.5681 -0.0218 -0.0366 0.0106 316 GLY B O +6819 N N . ASN B 316 ? 0.5726 0.5317 0.5183 -0.0215 -0.0398 0.0087 317 ASN B N +6820 C CA . ASN B 316 ? 0.6721 0.6355 0.6227 -0.0226 -0.0391 0.0087 317 ASN B CA +6821 C C . ASN B 316 ? 0.5715 0.5359 0.5248 -0.0252 -0.0387 0.0082 317 ASN B C +6822 O O . ASN B 316 ? 0.6736 0.6414 0.6310 -0.0264 -0.0380 0.0081 317 ASN B O +6823 C CB . ASN B 316 ? 0.6358 0.6037 0.5891 -0.0211 -0.0407 0.0079 317 ASN B CB +6824 C CG . ASN B 316 ? 0.7152 0.6819 0.6658 -0.0184 -0.0409 0.0085 317 ASN B CG +6825 O OD1 . ASN B 316 ? 0.6163 0.5806 0.5652 -0.0180 -0.0392 0.0096 317 ASN B OD1 +6826 N ND2 . ASN B 316 ? 0.6289 0.5972 0.5791 -0.0164 -0.0430 0.0077 317 ASN B ND2 +6827 N N . ASN B 317 ? 0.5663 0.5275 0.5172 -0.0262 -0.0389 0.0079 318 ASN B N +6828 C CA . ASN B 317 ? 0.6013 0.5623 0.5539 -0.0286 -0.0385 0.0075 318 ASN B CA +6829 C C . ASN B 317 ? 0.6480 0.6069 0.6003 -0.0296 -0.0361 0.0086 318 ASN B C +6830 O O . ASN B 317 ? 0.6442 0.5994 0.5931 -0.0289 -0.0353 0.0093 318 ASN B O +6831 C CB . ASN B 317 ? 0.5585 0.5164 0.5078 -0.0288 -0.0397 0.0067 318 ASN B CB +6832 C CG . ASN B 317 ? 0.5648 0.5217 0.5151 -0.0312 -0.0393 0.0062 318 ASN B CG +6833 O OD1 . ASN B 317 ? 0.5651 0.5224 0.5176 -0.0328 -0.0377 0.0067 318 ASN B OD1 +6834 N ND2 . ASN B 317 ? 0.5407 0.4956 0.4887 -0.0314 -0.0407 0.0053 318 ASN B ND2 +6835 N N . PRO B 318 ? 0.6617 0.6227 0.6174 -0.0312 -0.0350 0.0088 319 PRO B N +6836 C CA . PRO B 318 ? 0.6256 0.5846 0.5810 -0.0319 -0.0329 0.0099 319 PRO B CA +6837 C C . PRO B 318 ? 0.5903 0.5452 0.5432 -0.0329 -0.0323 0.0101 319 PRO B C +6838 O O . PRO B 318 ? 0.6229 0.5760 0.5752 -0.0332 -0.0307 0.0110 319 PRO B O +6839 C CB . PRO B 318 ? 0.5694 0.5317 0.5288 -0.0334 -0.0321 0.0099 319 PRO B CB +6840 C CG . PRO B 318 ? 0.6240 0.5887 0.5857 -0.0346 -0.0336 0.0086 319 PRO B CG +6841 C CD . PRO B 318 ? 0.5958 0.5609 0.5558 -0.0327 -0.0356 0.0079 319 PRO B CD +6842 N N . ALA B 319 ? 0.5836 0.5371 0.5350 -0.0332 -0.0336 0.0092 320 ALA B N +6843 C CA . ALA B 319 ? 0.5866 0.5360 0.5355 -0.0340 -0.0330 0.0092 320 ALA B CA +6844 C C . ALA B 319 ? 0.5607 0.5070 0.5056 -0.0324 -0.0330 0.0095 320 ALA B C +6845 O O . ALA B 319 ? 0.5994 0.5427 0.5419 -0.0327 -0.0329 0.0092 320 ALA B O +6846 C CB . ALA B 319 ? 0.5720 0.5213 0.5215 -0.0355 -0.0342 0.0080 320 ALA B CB +6847 N N . LYS B 320 ? 0.5845 0.5314 0.5285 -0.0307 -0.0330 0.0100 321 LYS B N +6848 C CA . LYS B 320 ? 0.6019 0.5457 0.5420 -0.0293 -0.0329 0.0103 321 LYS B CA +6849 C C . LYS B 320 ? 0.6515 0.5940 0.5908 -0.0288 -0.0312 0.0114 321 LYS B C +6850 O O . LYS B 320 ? 0.6602 0.6004 0.5965 -0.0277 -0.0309 0.0118 321 LYS B O +6851 C CB . LYS B 320 ? 0.5638 0.5086 0.5026 -0.0277 -0.0344 0.0099 321 LYS B CB +6852 C CG . LYS B 320 ? 0.6059 0.5508 0.5441 -0.0279 -0.0363 0.0087 321 LYS B CG +6853 C CD . LYS B 320 ? 0.5827 0.5236 0.5173 -0.0281 -0.0361 0.0085 321 LYS B CD +6854 C CE . LYS B 320 ? 0.6089 0.5467 0.5397 -0.0266 -0.0352 0.0093 321 LYS B CE +6855 N NZ . LYS B 320 ? 0.6654 0.5996 0.5928 -0.0269 -0.0348 0.0089 321 LYS B NZ +6856 N N . GLY B 321 ? 0.6485 0.5923 0.5902 -0.0295 -0.0301 0.0120 322 GLY B N +6857 C CA . GLY B 321 ? 0.5667 0.5095 0.5079 -0.0290 -0.0287 0.0130 322 GLY B CA +6858 C C . GLY B 321 ? 0.5675 0.5078 0.5076 -0.0296 -0.0275 0.0133 322 GLY B C +6859 O O . GLY B 321 ? 0.5489 0.4872 0.4876 -0.0301 -0.0277 0.0128 322 GLY B O +6860 N N . GLY B 322 ? 0.5662 0.5063 0.5067 -0.0295 -0.0263 0.0141 323 GLY B N +6861 C CA . GLY B 322 ? 0.6061 0.5441 0.5457 -0.0298 -0.0253 0.0144 323 GLY B CA +6862 C C . GLY B 322 ? 0.5836 0.5224 0.5247 -0.0300 -0.0243 0.0151 323 GLY B C +6863 O O . GLY B 322 ? 0.5906 0.5311 0.5327 -0.0295 -0.0242 0.0155 323 GLY B O +6864 N N . LEU B 323 ? 0.5582 0.4956 0.4994 -0.0306 -0.0236 0.0153 324 LEU B N +6865 C CA . LEU B 323 ? 0.5307 0.4686 0.4731 -0.0308 -0.0228 0.0160 324 LEU B CA +6866 C C . LEU B 323 ? 0.5970 0.5352 0.5389 -0.0299 -0.0223 0.0165 324 LEU B C +6867 O O . LEU B 323 ? 0.6038 0.5431 0.5468 -0.0299 -0.0219 0.0170 324 LEU B O +6868 C CB . LEU B 323 ? 0.6052 0.5412 0.5473 -0.0313 -0.0223 0.0160 324 LEU B CB +6869 C CG . LEU B 323 ? 0.6713 0.6070 0.6140 -0.0315 -0.0216 0.0167 324 LEU B CG +6870 C CD1 . LEU B 323 ? 0.6041 0.5413 0.5484 -0.0323 -0.0215 0.0170 324 LEU B CD1 +6871 C CD2 . LEU B 323 ? 0.6127 0.5461 0.5546 -0.0317 -0.0213 0.0166 324 LEU B CD2 +6872 N N . PHE B 324 ? 0.5809 0.5179 0.5213 -0.0292 -0.0222 0.0164 325 PHE B N +6873 C CA . PHE B 324 ? 0.6087 0.5457 0.5485 -0.0286 -0.0217 0.0168 325 PHE B CA +6874 C C . PHE B 324 ? 0.5891 0.5263 0.5278 -0.0278 -0.0220 0.0168 325 PHE B C +6875 O O . PHE B 324 ? 0.5840 0.5207 0.5219 -0.0273 -0.0216 0.0170 325 PHE B O +6876 C CB . PHE B 324 ? 0.5295 0.4651 0.4686 -0.0285 -0.0211 0.0168 325 PHE B CB +6877 C CG . PHE B 324 ? 0.6106 0.5458 0.5506 -0.0289 -0.0208 0.0170 325 PHE B CG +6878 C CD1 . PHE B 324 ? 0.6671 0.6030 0.6079 -0.0288 -0.0205 0.0175 325 PHE B CD1 +6879 C CD2 . PHE B 324 ? 0.6380 0.5721 0.5779 -0.0292 -0.0208 0.0166 325 PHE B CD2 +6880 C CE1 . PHE B 324 ? 0.7197 0.6549 0.6609 -0.0290 -0.0203 0.0177 325 PHE B CE1 +6881 C CE2 . PHE B 324 ? 0.6726 0.6060 0.6130 -0.0294 -0.0206 0.0168 325 PHE B CE2 +6882 C CZ . PHE B 324 ? 0.5882 0.5221 0.5291 -0.0293 -0.0203 0.0174 325 PHE B CZ +6883 N N . ARG B 325 ? 0.6131 0.5509 0.5517 -0.0277 -0.0228 0.0164 326 ARG B N +6884 C CA . ARG B 325 ? 0.5938 0.5319 0.5313 -0.0268 -0.0233 0.0164 326 ARG B CA +6885 C C . ARG B 325 ? 0.6140 0.5544 0.5533 -0.0265 -0.0234 0.0167 326 ARG B C +6886 O O . ARG B 325 ? 0.6233 0.5655 0.5643 -0.0268 -0.0240 0.0165 326 ARG B O +6887 C CB . ARG B 325 ? 0.6098 0.5477 0.5464 -0.0266 -0.0244 0.0158 326 ARG B CB +6888 C CG . ARG B 325 ? 0.5613 0.4969 0.4959 -0.0269 -0.0242 0.0154 326 ARG B CG +6889 C CD . ARG B 325 ? 0.5885 0.5241 0.5224 -0.0268 -0.0254 0.0147 326 ARG B CD +6890 N NE . ARG B 325 ? 0.6451 0.5784 0.5769 -0.0270 -0.0253 0.0143 326 ARG B NE +6891 C CZ . ARG B 325 ? 0.6550 0.5880 0.5860 -0.0271 -0.0263 0.0136 326 ARG B CZ +6892 N NH1 . ARG B 325 ? 0.6199 0.5548 0.5521 -0.0271 -0.0276 0.0132 326 ARG B NH1 +6893 N NH2 . ARG B 325 ? 0.5471 0.4778 0.4759 -0.0272 -0.0260 0.0132 326 ARG B NH2 +6894 N N . THR B 326 ? 0.5775 0.5177 0.5165 -0.0260 -0.0228 0.0172 327 THR B N +6895 C CA . THR B 326 ? 0.6512 0.5932 0.5917 -0.0258 -0.0226 0.0175 327 THR B CA +6896 C C . THR B 326 ? 0.6666 0.6096 0.6067 -0.0246 -0.0231 0.0174 327 THR B C +6897 O O . THR B 326 ? 0.6613 0.6031 0.5995 -0.0238 -0.0236 0.0173 327 THR B O +6898 C CB . THR B 326 ? 0.6791 0.6202 0.6192 -0.0258 -0.0217 0.0180 327 THR B CB +6899 O OG1 . THR B 326 ? 0.6370 0.5765 0.5751 -0.0251 -0.0215 0.0181 327 THR B OG1 +6900 C CG2 . THR B 326 ? 0.7499 0.6901 0.6904 -0.0267 -0.0212 0.0180 327 THR B CG2 +6901 N N . GLY B 327 ? 0.5813 0.5266 0.5233 -0.0244 -0.0230 0.0176 328 GLY B N +6902 C CA . GLY B 327 ? 0.6070 0.5534 0.5488 -0.0231 -0.0234 0.0176 328 GLY B CA +6903 C C . GLY B 327 ? 0.5987 0.5475 0.5420 -0.0227 -0.0244 0.0170 328 GLY B C +6904 O O . GLY B 327 ? 0.6115 0.5614 0.5563 -0.0238 -0.0248 0.0166 328 GLY B O +6905 N N . PRO B 328 ? 0.6636 0.6132 0.6064 -0.0212 -0.0250 0.0169 329 PRO B N +6906 C CA . PRO B 328 ? 0.5250 0.4773 0.4694 -0.0206 -0.0262 0.0163 329 PRO B CA +6907 C C . PRO B 328 ? 0.6143 0.5649 0.5568 -0.0205 -0.0274 0.0158 329 PRO B C +6908 O O . PRO B 328 ? 0.6418 0.5892 0.5814 -0.0204 -0.0272 0.0160 329 PRO B O +6909 C CB . PRO B 328 ? 0.6492 0.6022 0.5930 -0.0187 -0.0263 0.0163 329 PRO B CB +6910 C CG . PRO B 328 ? 0.6151 0.5644 0.5557 -0.0182 -0.0256 0.0169 329 PRO B CG +6911 C CD . PRO B 328 ? 0.6212 0.5692 0.5620 -0.0199 -0.0245 0.0173 329 PRO B CD +6912 N N . MET B 329 ? 0.5946 0.5478 0.5389 -0.0204 -0.0286 0.0151 330 MET B N +6913 C CA . MET B 329 ? 0.6623 0.6140 0.6045 -0.0201 -0.0299 0.0146 330 MET B CA +6914 C C . MET B 329 ? 0.5767 0.5258 0.5153 -0.0182 -0.0304 0.0148 330 MET B C +6915 O O . MET B 329 ? 0.5989 0.5449 0.5343 -0.0180 -0.0308 0.0148 330 MET B O +6916 C CB . MET B 329 ? 0.6045 0.5596 0.5493 -0.0202 -0.0314 0.0137 330 MET B CB +6917 C CG . MET B 329 ? 0.7191 0.6765 0.6674 -0.0223 -0.0309 0.0134 330 MET B CG +6918 S SD . MET B 329 ? 0.6643 0.6266 0.6167 -0.0227 -0.0324 0.0122 330 MET B SD +6919 C CE . MET B 329 ? 0.5721 0.5322 0.5227 -0.0238 -0.0336 0.0115 330 MET B CE +6920 N N . ASN B 330 ? 0.5995 0.5494 0.5381 -0.0167 -0.0302 0.0151 331 ASN B N +6921 C CA . ASN B 330 ? 0.6625 0.6096 0.5974 -0.0148 -0.0306 0.0153 331 ASN B CA +6922 C C . ASN B 330 ? 0.6881 0.6307 0.6195 -0.0154 -0.0295 0.0159 331 ASN B C +6923 O O . ASN B 330 ? 0.6221 0.5615 0.5498 -0.0144 -0.0298 0.0161 331 ASN B O +6924 C CB . ASN B 330 ? 0.5817 0.5303 0.5174 -0.0133 -0.0304 0.0155 331 ASN B CB +6925 C CG . ASN B 330 ? 0.5740 0.5268 0.5124 -0.0120 -0.0318 0.0148 331 ASN B CG +6926 O OD1 . ASN B 330 ? 0.6610 0.6149 0.5998 -0.0118 -0.0333 0.0142 331 ASN B OD1 +6927 N ND2 . ASN B 330 ? 0.5449 0.5002 0.4853 -0.0110 -0.0313 0.0149 331 ASN B ND2 +6928 N N . LYS B 331 ? 0.6124 0.5548 0.5450 -0.0170 -0.0281 0.0163 332 LYS B N +6929 C CA . LYS B 331 ? 0.6525 0.5913 0.5825 -0.0178 -0.0271 0.0167 332 LYS B CA +6930 C C . LYS B 331 ? 0.6033 0.5400 0.5314 -0.0184 -0.0274 0.0164 332 LYS B C +6931 O O . LYS B 331 ? 0.6666 0.6001 0.5919 -0.0186 -0.0267 0.0167 332 LYS B O +6932 C CB . LYS B 331 ? 0.6140 0.5535 0.5461 -0.0192 -0.0258 0.0170 332 LYS B CB +6933 C CG . LYS B 331 ? 0.7591 0.6957 0.6894 -0.0201 -0.0247 0.0173 332 LYS B CG +6934 C CD . LYS B 331 ? 0.6915 0.6253 0.6189 -0.0193 -0.0242 0.0177 332 LYS B CD +6935 C CE . LYS B 331 ? 0.7712 0.7022 0.6967 -0.0203 -0.0233 0.0178 332 LYS B CE +6936 N NZ . LYS B 331 ? 0.7801 0.7083 0.7030 -0.0199 -0.0226 0.0181 332 LYS B NZ +6937 N N . GLY B 332 ? 0.6039 0.5425 0.5334 -0.0186 -0.0285 0.0158 333 GLY B N +6938 C CA . GLY B 332 ? 0.5500 0.4865 0.4774 -0.0191 -0.0289 0.0155 333 GLY B CA +6939 C C . GLY B 332 ? 0.6935 0.6282 0.6176 -0.0176 -0.0301 0.0153 333 GLY B C +6940 O O . GLY B 332 ? 0.6428 0.5739 0.5631 -0.0170 -0.0296 0.0156 333 GLY B O +6941 N N . ASP B 333 ? 0.6782 0.6151 0.6034 -0.0169 -0.0318 0.0146 334 ASP B N +6942 C CA . ASP B 333 ? 0.6613 0.5964 0.5830 -0.0152 -0.0332 0.0144 334 ASP B CA +6943 C C . ASP B 333 ? 0.6498 0.5843 0.5699 -0.0132 -0.0335 0.0148 334 ASP B C +6944 O O . ASP B 333 ? 0.7206 0.6523 0.6368 -0.0117 -0.0343 0.0148 334 ASP B O +6945 C CB . ASP B 333 ? 0.6206 0.5584 0.5439 -0.0151 -0.0351 0.0134 334 ASP B CB +6946 C CG . ASP B 333 ? 0.6498 0.5927 0.5784 -0.0155 -0.0356 0.0129 334 ASP B CG +6947 O OD1 . ASP B 333 ? 0.6534 0.5978 0.5842 -0.0158 -0.0345 0.0134 334 ASP B OD1 +6948 O OD2 . ASP B 333 ? 0.6830 0.6285 0.6134 -0.0157 -0.0372 0.0121 334 ASP B OD2 +6949 N N . GLY B 334 ? 0.6734 0.6098 0.5960 -0.0131 -0.0327 0.0151 335 GLY B N +6950 C CA . GLY B 334 ? 0.6438 0.5795 0.5648 -0.0111 -0.0329 0.0154 335 GLY B CA +6951 C C . GLY B 334 ? 0.6751 0.6153 0.5998 -0.0101 -0.0340 0.0150 335 GLY B C +6952 O O . GLY B 334 ? 0.6693 0.6135 0.5980 -0.0111 -0.0344 0.0144 335 GLY B O +6953 N N . ILE B 335 ? 0.6359 0.5756 0.5592 -0.0080 -0.0342 0.0152 336 ILE B N +6954 C CA . ILE B 335 ? 0.6462 0.5902 0.5726 -0.0065 -0.0353 0.0147 336 ILE B CA +6955 C C . ILE B 335 ? 0.7465 0.6907 0.6713 -0.0046 -0.0375 0.0141 336 ILE B C +6956 O O . ILE B 335 ? 0.7094 0.6497 0.6295 -0.0028 -0.0381 0.0144 336 ILE B O +6957 C CB . ILE B 335 ? 0.7052 0.6484 0.6307 -0.0050 -0.0344 0.0152 336 ILE B CB +6958 C CG1 . ILE B 335 ? 0.7088 0.6514 0.6355 -0.0068 -0.0324 0.0158 336 ILE B CG1 +6959 C CG2 . ILE B 335 ? 0.7293 0.6773 0.6583 -0.0033 -0.0355 0.0146 336 ILE B CG2 +6960 C CD1 . ILE B 335 ? 0.6934 0.6332 0.6175 -0.0056 -0.0314 0.0164 336 ILE B CD1 +6961 N N . ALA B 336 ? 0.6817 0.6304 0.6103 -0.0051 -0.0388 0.0132 337 ALA B N +6962 C CA . ALA B 336 ? 0.7440 0.6935 0.6715 -0.0033 -0.0412 0.0124 337 ALA B CA +6963 C C . ALA B 336 ? 0.7439 0.6938 0.6703 -0.0002 -0.0422 0.0123 337 ALA B C +6964 O O . ALA B 336 ? 0.6474 0.6005 0.5769 0.0004 -0.0417 0.0123 337 ALA B O +6965 C CB . ALA B 336 ? 0.6490 0.6039 0.5816 -0.0046 -0.0424 0.0113 337 ALA B CB +6966 N N . GLN B 337 ? 0.7494 0.6958 0.6709 0.0019 -0.0437 0.0124 338 GLN B N +6967 C CA . GLN B 337 ? 0.7738 0.7195 0.6931 0.0052 -0.0448 0.0124 338 GLN B CA +6968 C C . GLN B 337 ? 0.8387 0.7876 0.7591 0.0072 -0.0477 0.0113 338 GLN B C +6969 O O . GLN B 337 ? 0.8519 0.8041 0.7743 0.0095 -0.0487 0.0108 338 GLN B O +6970 C CB . GLN B 337 ? 0.6885 0.6268 0.6007 0.0063 -0.0442 0.0134 338 GLN B CB +6971 C CG . GLN B 337 ? 0.8288 0.7636 0.7396 0.0044 -0.0415 0.0144 338 GLN B CG +6972 C CD . GLN B 337 ? 0.9233 0.8601 0.8367 0.0050 -0.0404 0.0146 338 GLN B CD +6973 O OE1 . GLN B 337 ? 1.0339 0.9701 0.9457 0.0077 -0.0411 0.0147 338 GLN B OE1 +6974 N NE2 . GLN B 337 ? 0.8830 0.8222 0.8002 0.0026 -0.0388 0.0148 338 GLN B NE2 +6975 N N . ALA B 338 ? 0.6978 0.6461 0.6169 0.0066 -0.0491 0.0107 339 ALA B N +6976 C CA . ALA B 338 ? 0.7506 0.7015 0.6700 0.0087 -0.0520 0.0096 339 ALA B CA +6977 C C . ALA B 338 ? 0.6957 0.6463 0.6146 0.0069 -0.0531 0.0090 339 ALA B C +6978 O O . ALA B 338 ? 0.7844 0.7303 0.6996 0.0053 -0.0518 0.0096 339 ALA B O +6979 C CB . ALA B 338 ? 0.6026 0.5490 0.5158 0.0122 -0.0534 0.0100 339 ALA B CB +6980 N N . TRP B 339 ? 0.6973 0.6532 0.6200 0.0073 -0.0554 0.0076 340 TRP B N +6981 C CA . TRP B 339 ? 0.6513 0.6066 0.5726 0.0065 -0.0572 0.0068 340 TRP B CA +6982 C C . TRP B 339 ? 0.8004 0.7496 0.7140 0.0091 -0.0585 0.0071 340 TRP B C +6983 O O . TRP B 339 ? 0.7793 0.7280 0.6908 0.0123 -0.0600 0.0071 340 TRP B O +6984 C CB . TRP B 339 ? 0.5887 0.5511 0.5157 0.0068 -0.0596 0.0051 340 TRP B CB +6985 C CG . TRP B 339 ? 0.6884 0.6511 0.6151 0.0054 -0.0613 0.0040 340 TRP B CG +6986 C CD1 . TRP B 339 ? 0.6458 0.6050 0.5704 0.0029 -0.0602 0.0043 340 TRP B CD1 +6987 C CD2 . TRP B 339 ? 0.7069 0.6738 0.6358 0.0065 -0.0646 0.0024 340 TRP B CD2 +6988 N NE1 . TRP B 339 ? 0.6831 0.6438 0.6081 0.0024 -0.0625 0.0029 340 TRP B NE1 +6989 C CE2 . TRP B 339 ? 0.6845 0.6500 0.6122 0.0045 -0.0653 0.0017 340 TRP B CE2 +6990 C CE3 . TRP B 339 ? 0.7975 0.7695 0.7294 0.0091 -0.0671 0.0013 340 TRP B CE3 +6991 C CZ2 . TRP B 339 ? 0.7939 0.7626 0.7231 0.0048 -0.0684 0.0000 340 TRP B CZ2 +6992 C CZ3 . TRP B 339 ? 0.7393 0.7148 0.6728 0.0095 -0.0702 -0.0004 340 TRP B CZ3 +6993 C CH2 . TRP B 339 ? 0.7725 0.7463 0.7046 0.0073 -0.0708 -0.0010 340 TRP B CH2 +6994 N N . LYS B 340 ? 0.7099 0.6541 0.6190 0.0077 -0.0579 0.0075 341 LYS B N +6995 C CA . LYS B 340 ? 0.7595 0.6978 0.6611 0.0099 -0.0591 0.0079 341 LYS B CA +6996 C C . LYS B 340 ? 0.7676 0.7080 0.6688 0.0115 -0.0626 0.0064 341 LYS B C +6997 O O . LYS B 340 ? 0.7609 0.6973 0.6562 0.0142 -0.0642 0.0066 341 LYS B O +6998 C CB . LYS B 340 ? 0.7945 0.7267 0.6913 0.0079 -0.0570 0.0087 341 LYS B CB +6999 C CG . LYS B 340 ? 0.8304 0.7596 0.7263 0.0068 -0.0538 0.0101 341 LYS B CG +7000 C CD . LYS B 340 ? 0.8487 0.7712 0.7386 0.0058 -0.0521 0.0110 341 LYS B CD +7001 C CE . LYS B 340 ? 0.8324 0.7506 0.7194 0.0060 -0.0497 0.0124 341 LYS B CE +7002 N NZ . LYS B 340 ? 1.0240 0.9361 0.9055 0.0048 -0.0479 0.0132 341 LYS B NZ +7003 N N . GLY B 341 ? 0.6966 0.6433 0.6041 0.0100 -0.0638 0.0051 342 GLY B N +7004 C CA . GLY B 341 ? 0.7010 0.6502 0.6087 0.0110 -0.0671 0.0035 342 GLY B CA +7005 C C . GLY B 341 ? 0.6760 0.6244 0.5836 0.0082 -0.0671 0.0029 342 GLY B C +7006 O O . GLY B 341 ? 0.7672 0.7122 0.6734 0.0058 -0.0645 0.0038 342 GLY B O +7007 N N . HIS B 342 ? 0.7756 0.7272 0.6847 0.0086 -0.0701 0.0013 343 HIS B N +7008 C CA . HIS B 342 ? 0.7315 0.6826 0.6406 0.0060 -0.0704 0.0004 343 HIS B CA +7009 C C . HIS B 342 ? 0.8887 0.8324 0.7892 0.0071 -0.0709 0.0008 343 HIS B C +7010 O O . HIS B 342 ? 0.7436 0.6856 0.6398 0.0101 -0.0734 0.0005 343 HIS B O +7011 C CB . HIS B 342 ? 0.7345 0.6922 0.6491 0.0056 -0.0734 -0.0016 343 HIS B CB +7012 C CG . HIS B 342 ? 0.8189 0.7762 0.7339 0.0028 -0.0737 -0.0026 343 HIS B CG +7013 N ND1 . HIS B 342 ? 0.7459 0.7055 0.6658 -0.0007 -0.0716 -0.0027 343 HIS B ND1 +7014 C CD2 . HIS B 342 ? 0.7564 0.7109 0.6670 0.0031 -0.0758 -0.0035 343 HIS B CD2 +7015 C CE1 . HIS B 342 ? 0.7780 0.7362 0.6966 -0.0025 -0.0725 -0.0036 343 HIS B CE1 +7016 N NE2 . HIS B 342 ? 0.8053 0.7605 0.7184 -0.0002 -0.0750 -0.0042 343 HIS B NE2 +7017 N N . ALA B 343 ? 0.7108 0.6503 0.6088 0.0048 -0.0685 0.0015 344 ALA B N +7018 C CA . ALA B 343 ? 0.7402 0.6727 0.6302 0.0054 -0.0685 0.0019 344 ALA B CA +7019 C C . ALA B 343 ? 0.8802 0.8135 0.7696 0.0049 -0.0711 0.0003 344 ALA B C +7020 O O . ALA B 343 ? 0.7693 0.7059 0.6635 0.0022 -0.0709 -0.0007 344 ALA B O +7021 C CB . ALA B 343 ? 0.6659 0.5938 0.5537 0.0032 -0.0648 0.0033 344 ALA B CB +7022 N N . VAL B 344 ? 0.8310 0.7608 0.7142 0.0074 -0.0734 -0.0001 345 VAL B N +7023 C CA . VAL B 344 ? 0.8380 0.7672 0.7189 0.0072 -0.0759 -0.0016 345 VAL B CA +7024 C C . VAL B 344 ? 0.8044 0.7253 0.6765 0.0077 -0.0747 -0.0007 345 VAL B C +7025 O O . VAL B 344 ? 0.9054 0.8214 0.7712 0.0101 -0.0744 0.0004 345 VAL B O +7026 C CB . VAL B 344 ? 0.9322 0.8649 0.8137 0.0100 -0.0802 -0.0031 345 VAL B CB +7027 C CG1 . VAL B 344 ? 0.9180 0.8484 0.7951 0.0103 -0.0829 -0.0045 345 VAL B CG1 +7028 C CG2 . VAL B 344 ? 0.7987 0.7403 0.6898 0.0090 -0.0813 -0.0042 345 VAL B CG2 +7029 N N . PHE B 345 ? 0.7443 0.6634 0.6154 0.0053 -0.0738 -0.0012 346 PHE B N +7030 C CA . PHE B 345 ? 0.7599 0.6714 0.6229 0.0055 -0.0724 -0.0005 346 PHE B CA +7031 C C . PHE B 345 ? 0.7571 0.6671 0.6158 0.0066 -0.0756 -0.0021 346 PHE B C +7032 O O . PHE B 345 ? 0.7770 0.6915 0.6402 0.0054 -0.0779 -0.0038 346 PHE B O +7033 C CB . PHE B 345 ? 0.7702 0.6803 0.6346 0.0023 -0.0688 0.0000 346 PHE B CB +7034 C CG . PHE B 345 ? 0.8050 0.7163 0.6733 0.0012 -0.0656 0.0015 346 PHE B CG +7035 C CD1 . PHE B 345 ? 0.6483 0.5660 0.5249 -0.0004 -0.0654 0.0012 346 PHE B CD1 +7036 C CD2 . PHE B 345 ? 0.7151 0.6211 0.5786 0.0016 -0.0628 0.0032 346 PHE B CD2 +7037 C CE1 . PHE B 345 ? 0.8069 0.7255 0.6867 -0.0014 -0.0626 0.0025 346 PHE B CE1 +7038 C CE2 . PHE B 345 ? 0.8145 0.7215 0.6814 0.0006 -0.0600 0.0045 346 PHE B CE2 +7039 C CZ . PHE B 345 ? 0.7384 0.6518 0.6134 -0.0009 -0.0600 0.0041 346 PHE B CZ +7040 N N A ARG B 346 ? 0.8075 0.7107 0.6572 0.0088 -0.0759 -0.0015 347 ARG B N +7041 N N B ARG B 346 ? 0.8073 0.7105 0.6572 0.0087 -0.0758 -0.0015 347 ARG B N +7042 C CA A ARG B 346 ? 0.8253 0.7257 0.6694 0.0100 -0.0787 -0.0027 347 ARG B CA +7043 C CA B ARG B 346 ? 0.8242 0.7248 0.6688 0.0097 -0.0786 -0.0028 347 ARG B CA +7044 C C A ARG B 346 ? 0.8049 0.6971 0.6406 0.0099 -0.0763 -0.0018 347 ARG B C +7045 C C B ARG B 346 ? 0.8043 0.6967 0.6402 0.0098 -0.0762 -0.0018 347 ARG B C +7046 O O A ARG B 346 ? 0.8345 0.7226 0.6670 0.0100 -0.0731 0.0000 347 ARG B O +7047 O O B ARG B 346 ? 0.8347 0.7230 0.6675 0.0100 -0.0732 0.0000 347 ARG B O +7048 C CB A ARG B 346 ? 0.9037 0.8042 0.7446 0.0138 -0.0825 -0.0032 347 ARG B CB +7049 C CB B ARG B 346 ? 0.9028 0.8043 0.7449 0.0133 -0.0827 -0.0035 347 ARG B CB +7050 C CG A ARG B 346 ? 0.8823 0.7907 0.7313 0.0144 -0.0846 -0.0039 347 ARG B CG +7051 C CG B ARG B 346 ? 0.8344 0.7445 0.6851 0.0135 -0.0854 -0.0048 347 ARG B CG +7052 C CD A ARG B 346 ? 0.8320 0.7404 0.6777 0.0184 -0.0882 -0.0043 347 ARG B CD +7053 C CD B ARG B 346 ? 0.8169 0.7276 0.6648 0.0174 -0.0894 -0.0055 347 ARG B CD +7054 N NE A ARG B 346 ? 0.7356 0.6524 0.5896 0.0189 -0.0905 -0.0054 347 ARG B NE +7055 N NE B ARG B 346 ? 0.8344 0.7530 0.6903 0.0181 -0.0912 -0.0062 347 ARG B NE +7056 C CZ A ARG B 346 ? 0.7289 0.6481 0.5858 0.0204 -0.0899 -0.0045 347 ARG B CZ +7057 C CZ B ARG B 346 ? 1.0587 0.9842 0.9209 0.0174 -0.0942 -0.0082 347 ARG B CZ +7058 N NH1 A ARG B 346 ? 0.7733 0.6871 0.6254 0.0216 -0.0873 -0.0025 347 ARG B NH1 +7059 N NH1 B ARG B 346 ? 0.9367 0.8623 0.7983 0.0160 -0.0960 -0.0099 347 ARG B NH1 +7060 N NH2 A ARG B 346 ? 0.6178 0.5450 0.4826 0.0207 -0.0920 -0.0057 347 ARG B NH2 +7061 N NH2 B ARG B 346 ? 0.8739 0.8066 0.7434 0.0181 -0.0954 -0.0087 347 ARG B NH2 +7062 N N . ASN B 347 ? 0.8535 0.7434 0.6856 0.0094 -0.0775 -0.0030 348 ASN B N +7063 C CA . ASN B 347 ? 0.9511 0.8332 0.7745 0.0097 -0.0755 -0.0022 348 ASN B CA +7064 C C . ASN B 347 ? 0.9500 0.8271 0.7647 0.0132 -0.0780 -0.0022 348 ASN B C +7065 O O . ASN B 347 ? 0.9026 0.7824 0.7181 0.0155 -0.0813 -0.0027 348 ASN B O +7066 C CB . ASN B 347 ? 0.8997 0.7812 0.7232 0.0073 -0.0751 -0.0035 348 ASN B CB +7067 C CG . ASN B 347 ? 0.9880 0.8721 0.8120 0.0078 -0.0795 -0.0058 348 ASN B CG +7068 O OD1 . ASN B 347 ? 0.9105 0.7963 0.7338 0.0103 -0.0831 -0.0064 348 ASN B OD1 +7069 N ND2 . ASN B 347 ? 0.9487 0.8331 0.7740 0.0056 -0.0794 -0.0070 348 ASN B ND2 +7070 N N . LYS B 348 ? 0.8941 0.7637 0.7000 0.0137 -0.0764 -0.0016 349 LYS B N +7071 C CA . LYS B 348 ? 1.0001 0.8637 0.7965 0.0170 -0.0782 -0.0012 349 LYS B CA +7072 C C . LYS B 348 ? 0.9051 0.7709 0.7007 0.0188 -0.0834 -0.0033 349 LYS B C +7073 O O . LYS B 348 ? 1.1032 0.9671 0.8940 0.0220 -0.0861 -0.0033 349 LYS B O +7074 C CB . LYS B 348 ? 0.9340 0.7894 0.7216 0.0167 -0.0752 -0.0003 349 LYS B CB +7075 C CG . LYS B 348 ? 1.0595 0.9148 0.8480 0.0141 -0.0741 -0.0015 349 LYS B CG +7076 C CD . LYS B 348 ? 1.1028 0.9500 0.8823 0.0140 -0.0710 -0.0005 349 LYS B CD +7077 C CE . LYS B 348 ? 1.2329 1.0761 1.0095 0.0143 -0.0672 0.0018 349 LYS B CE +7078 N NZ . LYS B 348 ? 1.4010 1.2365 1.1693 0.0140 -0.0638 0.0026 349 LYS B NZ +7079 N N . GLU B 349 ? 0.9111 0.7809 0.7113 0.0167 -0.0847 -0.0051 350 GLU B N +7080 C CA . GLU B 349 ? 0.9481 0.8211 0.7491 0.0179 -0.0897 -0.0074 350 GLU B CA +7081 C C . GLU B 349 ? 1.0718 0.9528 0.8809 0.0187 -0.0926 -0.0081 350 GLU B C +7082 O O . GLU B 349 ? 1.0721 0.9569 0.8830 0.0195 -0.0968 -0.0101 350 GLU B O +7083 C CB . GLU B 349 ? 0.8409 0.7157 0.6447 0.0150 -0.0899 -0.0091 350 GLU B CB +7084 C CG . GLU B 349 ? 1.3048 1.1723 1.0993 0.0154 -0.0896 -0.0095 350 GLU B CG +7085 C CD . GLU B 349 ? 1.4731 1.3343 1.2629 0.0144 -0.0845 -0.0075 350 GLU B CD +7086 O OE1 . GLU B 349 ? 1.6723 1.5360 1.4680 0.0121 -0.0811 -0.0065 350 GLU B OE1 +7087 O OE2 . GLU B 349 ? 1.7728 1.6267 1.5529 0.0160 -0.0839 -0.0070 350 GLU B OE2 +7088 N N . GLY B 350 ? 0.9992 0.8831 0.8133 0.0184 -0.0905 -0.0067 351 GLY B N +7089 C CA . GLY B 350 ? 0.9421 0.8340 0.7645 0.0189 -0.0928 -0.0075 351 GLY B CA +7090 C C . GLY B 350 ? 0.9573 0.8568 0.7897 0.0156 -0.0931 -0.0090 351 GLY B C +7091 O O . GLY B 350 ? 1.0109 0.9175 0.8504 0.0160 -0.0954 -0.0099 351 GLY B O +7092 N N A GLU B 351 ? 0.8598 0.7581 0.6930 0.0125 -0.0911 -0.0093 352 GLU B N +7093 N N B GLU B 351 ? 0.8594 0.7577 0.6927 0.0125 -0.0909 -0.0093 352 GLU B N +7094 C CA A GLU B 351 ? 0.8368 0.7418 0.6793 0.0093 -0.0910 -0.0105 352 GLU B CA +7095 C CA B GLU B 351 ? 0.8372 0.7421 0.6797 0.0092 -0.0909 -0.0105 352 GLU B CA +7096 C C A GLU B 351 ? 0.9437 0.8525 0.7930 0.0079 -0.0879 -0.0091 352 GLU B C +7097 C C B GLU B 351 ? 0.9432 0.8519 0.7927 0.0077 -0.0878 -0.0091 352 GLU B C +7098 O O A GLU B 351 ? 0.8498 0.7545 0.6964 0.0078 -0.0844 -0.0072 352 GLU B O +7099 O O B GLU B 351 ? 0.8497 0.7545 0.6966 0.0075 -0.0841 -0.0072 352 GLU B O +7100 C CB A GLU B 351 ? 0.8922 0.7945 0.7335 0.0065 -0.0894 -0.0112 352 GLU B CB +7101 C CB B GLU B 351 ? 0.8932 0.7948 0.7337 0.0066 -0.0893 -0.0111 352 GLU B CB +7102 C CG A GLU B 351 ? 1.0802 0.9758 0.9120 0.0079 -0.0907 -0.0118 352 GLU B CG +7103 C CG B GLU B 351 ? 0.9769 0.8814 0.8194 0.0055 -0.0928 -0.0137 352 GLU B CG +7104 C CD A GLU B 351 ? 0.9509 0.8440 0.7819 0.0051 -0.0891 -0.0126 352 GLU B CD +7105 C CD B GLU B 351 ? 1.1194 1.0308 0.9718 0.0022 -0.0925 -0.0147 352 GLU B CD +7106 O OE1 A GLU B 351 ? 0.9839 0.8821 0.8220 0.0025 -0.0896 -0.0139 352 GLU B OE1 +7107 O OE1 B GLU B 351 ? 0.8953 0.8057 0.7486 -0.0005 -0.0914 -0.0154 352 GLU B OE1 +7108 O OE2 A GLU B 351 ? 1.0105 0.8967 0.8338 0.0056 -0.0872 -0.0119 352 GLU B OE2 +7109 O OE2 B GLU B 351 ? 1.2200 1.1377 1.0794 0.0023 -0.0933 -0.0147 352 GLU B OE2 +7110 N N . GLU B 352 ? 0.8500 0.7665 0.7084 0.0066 -0.0892 -0.0101 353 GLU B N +7111 C CA . GLU B 352 ? 0.8968 0.8171 0.7619 0.0050 -0.0862 -0.0089 353 GLU B CA +7112 C C . GLU B 352 ? 0.9293 0.8485 0.7967 0.0014 -0.0829 -0.0086 353 GLU B C +7113 O O . GLU B 352 ? 0.8500 0.7697 0.7183 -0.0005 -0.0838 -0.0100 353 GLU B O +7114 C CB . GLU B 352 ? 0.7597 0.6887 0.6337 0.0047 -0.0884 -0.0101 353 GLU B CB +7115 C CG . GLU B 352 ? 0.8957 0.8278 0.7756 0.0036 -0.0854 -0.0087 353 GLU B CG +7116 C CD . GLU B 352 ? 1.0849 1.0256 0.9735 0.0035 -0.0871 -0.0097 353 GLU B CD +7117 O OE1 . GLU B 352 ? 1.2050 1.1496 1.0955 0.0042 -0.0909 -0.0116 353 GLU B OE1 +7118 O OE2 . GLU B 352 ? 1.0755 1.0190 0.9690 0.0026 -0.0847 -0.0086 353 GLU B OE2 +7119 N N . LEU B 353 ? 0.8251 0.7426 0.6930 0.0006 -0.0791 -0.0067 354 LEU B N +7120 C CA . LEU B 353 ? 0.7621 0.6786 0.6320 -0.0024 -0.0758 -0.0062 354 LEU B CA +7121 C C . LEU B 353 ? 0.8471 0.7687 0.7250 -0.0041 -0.0738 -0.0055 354 LEU B C +7122 O O . LEU B 353 ? 0.7718 0.6958 0.6517 -0.0026 -0.0738 -0.0047 354 LEU B O +7123 C CB . LEU B 353 ? 0.7917 0.7009 0.6546 -0.0021 -0.0727 -0.0047 354 LEU B CB +7124 C CG . LEU B 353 ? 0.9341 0.8372 0.7879 -0.0001 -0.0741 -0.0050 354 LEU B CG +7125 C CD1 . LEU B 353 ? 0.7648 0.6612 0.6123 0.0001 -0.0705 -0.0033 354 LEU B CD1 +7126 C CD2 . LEU B 353 ? 0.8312 0.7343 0.6845 -0.0014 -0.0760 -0.0070 354 LEU B CD2 +7127 N N . PHE B 354 ? 0.7927 0.7159 0.6749 -0.0072 -0.0720 -0.0057 355 PHE B N +7128 C CA . PHE B 354 ? 0.8291 0.7570 0.7187 -0.0090 -0.0702 -0.0052 355 PHE B CA +7129 C C . PHE B 354 ? 0.7496 0.6745 0.6388 -0.0108 -0.0664 -0.0039 355 PHE B C +7130 O O . PHE B 354 ? 0.7692 0.6912 0.6564 -0.0123 -0.0656 -0.0044 355 PHE B O +7131 C CB . PHE B 354 ? 0.7550 0.6889 0.6514 -0.0110 -0.0721 -0.0069 355 PHE B CB +7132 C CG . PHE B 354 ? 1.0229 0.9600 0.9198 -0.0094 -0.0762 -0.0085 355 PHE B CG +7133 C CD1 . PHE B 354 ? 0.8391 0.7815 0.7404 -0.0080 -0.0776 -0.0086 355 PHE B CD1 +7134 C CD2 . PHE B 354 ? 0.8455 0.7802 0.7381 -0.0090 -0.0787 -0.0100 355 PHE B CD2 +7135 C CE1 . PHE B 354 ? 0.8659 0.8116 0.7678 -0.0063 -0.0815 -0.0102 355 PHE B CE1 +7136 C CE2 . PHE B 354 ? 0.9585 0.8962 0.8515 -0.0074 -0.0827 -0.0116 355 PHE B CE2 +7137 C CZ . PHE B 354 ? 0.8252 0.7687 0.7230 -0.0060 -0.0841 -0.0117 355 PHE B CZ +7138 N N . VAL B 355 ? 0.7397 0.6651 0.6306 -0.0106 -0.0640 -0.0023 356 VAL B N +7139 C CA . VAL B 355 ? 0.8173 0.7404 0.7085 -0.0123 -0.0604 -0.0011 356 VAL B CA +7140 C C . VAL B 355 ? 0.7315 0.6582 0.6290 -0.0151 -0.0597 -0.0017 356 VAL B C +7141 O O . VAL B 355 ? 0.7708 0.7029 0.6741 -0.0158 -0.0608 -0.0022 356 VAL B O +7142 C CB . VAL B 355 ? 0.7773 0.7002 0.6688 -0.0112 -0.0584 0.0007 356 VAL B CB +7143 C CG1 . VAL B 355 ? 0.6895 0.6106 0.5817 -0.0129 -0.0548 0.0019 356 VAL B CG1 +7144 C CG2 . VAL B 355 ? 0.7805 0.6991 0.6652 -0.0085 -0.0591 0.0013 356 VAL B CG2 +7145 N N A ARG B 356 ? 0.7058 0.6294 0.6018 -0.0168 -0.0579 -0.0017 357 ARG B N +7146 N N B ARG B 356 ? 0.7060 0.6296 0.6021 -0.0168 -0.0578 -0.0016 357 ARG B N +7147 C CA A ARG B 356 ? 0.5969 0.5230 0.4981 -0.0194 -0.0568 -0.0020 357 ARG B CA +7148 C CA B ARG B 356 ? 0.5971 0.5234 0.4985 -0.0194 -0.0568 -0.0020 357 ARG B CA +7149 C C A ARG B 356 ? 0.7108 0.6392 0.6163 -0.0200 -0.0544 -0.0006 357 ARG B C +7150 C C B ARG B 356 ? 0.7103 0.6387 0.6159 -0.0201 -0.0543 -0.0006 357 ARG B C +7151 O O A ARG B 356 ? 0.6589 0.5844 0.5619 -0.0194 -0.0521 0.0008 357 ARG B O +7152 O O B ARG B 356 ? 0.6586 0.5841 0.5617 -0.0195 -0.0520 0.0008 357 ARG B O +7153 C CB A ARG B 356 ? 0.7171 0.6389 0.6153 -0.0207 -0.0554 -0.0023 357 ARG B CB +7154 C CB B ARG B 356 ? 0.7187 0.6409 0.6172 -0.0207 -0.0556 -0.0024 357 ARG B CB +7155 C CG A ARG B 356 ? 0.6776 0.6011 0.5803 -0.0233 -0.0544 -0.0027 357 ARG B CG +7156 C CG B ARG B 356 ? 0.7890 0.7135 0.6915 -0.0231 -0.0566 -0.0038 357 ARG B CG +7157 C CD A ARG B 356 ? 0.6334 0.5614 0.5407 -0.0245 -0.0570 -0.0042 357 ARG B CD +7158 C CD B ARG B 356 ? 0.7621 0.6849 0.6658 -0.0249 -0.0539 -0.0032 357 ARG B CD +7159 N NE A ARG B 356 ? 0.7016 0.6302 0.6121 -0.0271 -0.0562 -0.0048 357 ARG B NE +7160 N NE B ARG B 356 ? 0.7514 0.6774 0.6604 -0.0273 -0.0543 -0.0041 357 ARG B NE +7161 C CZ A ARG B 356 ? 0.7566 0.6874 0.6717 -0.0286 -0.0543 -0.0040 357 ARG B CZ +7162 C CZ B ARG B 356 ? 0.7392 0.6646 0.6481 -0.0287 -0.0557 -0.0056 357 ARG B CZ +7163 N NH1 A ARG B 356 ? 0.6247 0.5574 0.5418 -0.0278 -0.0530 -0.0026 357 ARG B NH1 +7164 N NH1 B ARG B 356 ? 0.6036 0.5256 0.5075 -0.0279 -0.0571 -0.0066 357 ARG B NH1 +7165 N NH2 A ARG B 356 ? 0.6021 0.5330 0.5197 -0.0309 -0.0539 -0.0047 357 ARG B NH2 +7166 N NH2 B ARG B 356 ? 0.6412 0.5691 0.5550 -0.0310 -0.0556 -0.0061 357 ARG B NH2 +7167 N N . ARG B 357 ? 0.5901 0.5235 0.5017 -0.0213 -0.0549 -0.0009 358 ARG B N +7168 C CA . ARG B 357 ? 0.6954 0.6311 0.6109 -0.0217 -0.0528 0.0004 358 ARG B CA +7169 C C . ARG B 357 ? 0.6976 0.6315 0.6140 -0.0236 -0.0500 0.0011 358 ARG B C +7170 O O . ARG B 357 ? 0.6478 0.5803 0.5639 -0.0251 -0.0499 0.0003 358 ARG B O +7171 C CB . ARG B 357 ? 0.6851 0.6269 0.6069 -0.0224 -0.0540 -0.0003 358 ARG B CB +7172 C CG . ARG B 357 ? 0.6433 0.5876 0.5652 -0.0202 -0.0560 -0.0004 358 ARG B CG +7173 C CD . ARG B 357 ? 0.6479 0.5986 0.5762 -0.0209 -0.0573 -0.0013 358 ARG B CD +7174 N NE . ARG B 357 ? 0.6933 0.6466 0.6220 -0.0185 -0.0589 -0.0013 358 ARG B NE +7175 C CZ . ARG B 357 ? 0.6844 0.6431 0.6184 -0.0184 -0.0593 -0.0015 358 ARG B CZ +7176 N NH1 . ARG B 357 ? 0.6635 0.6258 0.6031 -0.0208 -0.0583 -0.0017 358 ARG B NH1 +7177 N NH2 . ARG B 357 ? 0.6901 0.6506 0.6238 -0.0158 -0.0607 -0.0014 358 ARG B NH2 +7178 N N . MET B 358 ? 0.7282 0.6620 0.6454 -0.0233 -0.0479 0.0025 359 MET B N +7179 C CA . MET B 358 ? 0.6987 0.6313 0.6171 -0.0248 -0.0453 0.0033 359 MET B CA +7180 C C . MET B 358 ? 0.6474 0.5833 0.5711 -0.0269 -0.0452 0.0028 359 MET B C +7181 O O . MET B 358 ? 0.6343 0.5743 0.5621 -0.0271 -0.0457 0.0029 359 MET B O +7182 C CB . MET B 358 ? 0.6226 0.5546 0.5408 -0.0239 -0.0432 0.0048 359 MET B CB +7183 C CG . MET B 358 ? 0.6252 0.5569 0.5455 -0.0253 -0.0408 0.0057 359 MET B CG +7184 S SD . MET B 358 ? 0.6538 0.5852 0.5739 -0.0243 -0.0388 0.0073 359 MET B SD +7185 C CE . MET B 358 ? 0.5739 0.5002 0.4889 -0.0239 -0.0370 0.0077 359 MET B CE +7186 N N . PRO B 359 ? 0.6154 0.5495 0.5392 -0.0286 -0.0446 0.0023 360 PRO B N +7187 C CA . PRO B 359 ? 0.6446 0.5811 0.5730 -0.0307 -0.0439 0.0023 360 PRO B CA +7188 C C . PRO B 359 ? 0.6442 0.5809 0.5742 -0.0308 -0.0415 0.0037 360 PRO B C +7189 O O . PRO B 359 ? 0.6443 0.5782 0.5714 -0.0298 -0.0400 0.0046 360 PRO B O +7190 C CB . PRO B 359 ? 0.6777 0.6111 0.6044 -0.0321 -0.0439 0.0014 360 PRO B CB +7191 C CG . PRO B 359 ? 0.6529 0.5831 0.5745 -0.0307 -0.0450 0.0008 360 PRO B CG +7192 C CD . PRO B 359 ? 0.5930 0.5227 0.5123 -0.0286 -0.0445 0.0018 360 PRO B CD +7193 N N . ALA B 360 ? 0.6062 0.5460 0.5407 -0.0321 -0.0410 0.0040 361 ALA B N +7194 C CA . ALA B 360 ? 0.5773 0.5176 0.5134 -0.0322 -0.0389 0.0053 361 ALA B CA +7195 C C . ALA B 360 ? 0.6831 0.6197 0.6171 -0.0325 -0.0371 0.0059 361 ALA B C +7196 O O . ALA B 360 ? 0.6190 0.5550 0.5529 -0.0320 -0.0355 0.0070 361 ALA B O +7197 C CB . ALA B 360 ? 0.5455 0.4895 0.4865 -0.0337 -0.0387 0.0053 361 ALA B CB +7198 N N . PHE B 361 ? 0.6329 0.5669 0.5654 -0.0335 -0.0373 0.0051 362 PHE B N +7199 C CA . PHE B 361 ? 0.6490 0.5797 0.5797 -0.0337 -0.0356 0.0055 362 PHE B CA +7200 C C . PHE B 361 ? 0.7364 0.6648 0.6639 -0.0320 -0.0345 0.0063 362 PHE B C +7201 O O . PHE B 361 ? 0.5664 0.4933 0.4936 -0.0320 -0.0328 0.0070 362 PHE B O +7202 C CB . PHE B 361 ? 0.5764 0.5045 0.5055 -0.0347 -0.0362 0.0044 362 PHE B CB +7203 C CG . PHE B 361 ? 0.6901 0.6180 0.6216 -0.0365 -0.0356 0.0044 362 PHE B CG +7204 C CD1 . PHE B 361 ? 0.7009 0.6283 0.6334 -0.0366 -0.0337 0.0054 362 PHE B CD1 +7205 C CD2 . PHE B 361 ? 0.6979 0.6260 0.6303 -0.0381 -0.0368 0.0032 362 PHE B CD2 +7206 C CE1 . PHE B 361 ? 0.6437 0.5706 0.5780 -0.0382 -0.0331 0.0054 362 PHE B CE1 +7207 C CE2 . PHE B 361 ? 0.6202 0.5477 0.5545 -0.0399 -0.0361 0.0032 362 PHE B CE2 +7208 C CZ . PHE B 361 ? 0.6871 0.6139 0.6221 -0.0399 -0.0343 0.0043 362 PHE B CZ +7209 N N . PHE B 362 ? 0.5699 0.4979 0.4949 -0.0307 -0.0355 0.0060 363 PHE B N +7210 C CA . PHE B 362 ? 0.6342 0.5592 0.5552 -0.0294 -0.0345 0.0064 363 PHE B CA +7211 C C . PHE B 362 ? 0.5761 0.5021 0.4973 -0.0284 -0.0336 0.0076 363 PHE B C +7212 O O . PHE B 362 ? 0.6389 0.5668 0.5607 -0.0276 -0.0347 0.0077 363 PHE B O +7213 C CB . PHE B 362 ? 0.5735 0.4968 0.4908 -0.0286 -0.0361 0.0055 363 PHE B CB +7214 C CG . PHE B 362 ? 0.6158 0.5374 0.5320 -0.0294 -0.0370 0.0043 363 PHE B CG +7215 C CD1 . PHE B 362 ? 0.6049 0.5286 0.5239 -0.0307 -0.0385 0.0035 363 PHE B CD1 +7216 C CD2 . PHE B 362 ? 0.5364 0.4541 0.4484 -0.0289 -0.0363 0.0040 363 PHE B CD2 +7217 C CE1 . PHE B 362 ? 0.6302 0.5519 0.5477 -0.0316 -0.0393 0.0022 363 PHE B CE1 +7218 C CE2 . PHE B 362 ? 0.5967 0.5125 0.5072 -0.0296 -0.0372 0.0028 363 PHE B CE2 +7219 C CZ . PHE B 362 ? 0.6352 0.5529 0.5484 -0.0310 -0.0388 0.0019 363 PHE B CZ +7220 N N . GLU B 363 ? 0.6099 0.5345 0.5305 -0.0282 -0.0317 0.0083 364 GLU B N +7221 C CA . GLU B 363 ? 0.5849 0.5098 0.5052 -0.0273 -0.0307 0.0093 364 GLU B CA +7222 C C . GLU B 363 ? 0.6576 0.5806 0.5739 -0.0259 -0.0313 0.0093 364 GLU B C +7223 O O . GLU B 363 ? 0.6265 0.5501 0.5424 -0.0250 -0.0314 0.0099 364 GLU B O +7224 C CB . GLU B 363 ? 0.5665 0.4902 0.4869 -0.0274 -0.0286 0.0100 364 GLU B CB +7225 C CG . GLU B 363 ? 0.5805 0.5060 0.5045 -0.0284 -0.0279 0.0104 364 GLU B CG +7226 C CD . GLU B 363 ? 0.6320 0.5603 0.5587 -0.0283 -0.0281 0.0111 364 GLU B CD +7227 O OE1 . GLU B 363 ? 0.6735 0.6019 0.5991 -0.0274 -0.0281 0.0115 364 GLU B OE1 +7228 O OE2 . GLU B 363 ? 0.6107 0.5407 0.5403 -0.0292 -0.0281 0.0112 364 GLU B OE2 +7229 N N . SER B 364 ? 0.6631 0.5834 0.5761 -0.0258 -0.0316 0.0086 365 SER B N +7230 C CA . SER B 364 ? 0.6086 0.5265 0.5171 -0.0245 -0.0322 0.0084 365 SER B CA +7231 C C . SER B 364 ? 0.6215 0.5385 0.5282 -0.0246 -0.0339 0.0072 365 SER B C +7232 O O . SER B 364 ? 0.6624 0.5798 0.5708 -0.0257 -0.0342 0.0065 365 SER B O +7233 C CB . SER B 364 ? 0.6258 0.5406 0.5311 -0.0241 -0.0301 0.0089 365 SER B CB +7234 O OG . SER B 364 ? 0.5944 0.5076 0.4991 -0.0248 -0.0292 0.0084 365 SER B OG +7235 N N . PHE B 365 ? 0.6493 0.5646 0.5522 -0.0233 -0.0351 0.0070 366 PHE B N +7236 C CA . PHE B 365 ? 0.6733 0.5880 0.5745 -0.0232 -0.0372 0.0057 366 PHE B CA +7237 C C . PHE B 365 ? 0.5953 0.5065 0.4906 -0.0217 -0.0377 0.0057 366 PHE B C +7238 O O . PHE B 365 ? 0.7414 0.6522 0.6351 -0.0204 -0.0376 0.0064 366 PHE B O +7239 C CB . PHE B 365 ? 0.6689 0.5875 0.5738 -0.0234 -0.0395 0.0052 366 PHE B CB +7240 C CG . PHE B 365 ? 0.7447 0.6635 0.6495 -0.0241 -0.0414 0.0038 366 PHE B CG +7241 C CD1 . PHE B 365 ? 0.6171 0.5356 0.5235 -0.0257 -0.0409 0.0032 366 PHE B CD1 +7242 C CD2 . PHE B 365 ? 0.6812 0.6001 0.5839 -0.0230 -0.0439 0.0029 366 PHE B CD2 +7243 C CE1 . PHE B 365 ? 0.7002 0.6184 0.6062 -0.0264 -0.0427 0.0018 366 PHE B CE1 +7244 C CE2 . PHE B 365 ? 0.7516 0.6706 0.6541 -0.0237 -0.0459 0.0015 366 PHE B CE2 +7245 C CZ . PHE B 365 ? 0.7114 0.6300 0.6155 -0.0255 -0.0452 0.0009 366 PHE B CZ +7246 N N . PRO B 366 ? 0.6562 0.5647 0.5481 -0.0216 -0.0383 0.0047 367 PRO B N +7247 C CA . PRO B 366 ? 0.7114 0.6163 0.5972 -0.0201 -0.0388 0.0047 367 PRO B CA +7248 C C . PRO B 366 ? 0.7468 0.6531 0.6320 -0.0188 -0.0416 0.0042 367 PRO B C +7249 O O . PRO B 366 ? 0.7240 0.6342 0.6135 -0.0193 -0.0434 0.0037 367 PRO B O +7250 C CB . PRO B 366 ? 0.6623 0.5643 0.5451 -0.0205 -0.0387 0.0036 367 PRO B CB +7251 C CG . PRO B 366 ? 0.6703 0.5749 0.5576 -0.0220 -0.0396 0.0028 367 PRO B CG +7252 C CD . PRO B 366 ? 0.6514 0.5596 0.5442 -0.0229 -0.0386 0.0037 367 PRO B CD +7253 N N . VAL B 367 ? 0.7229 0.6260 0.6027 -0.0171 -0.0421 0.0045 368 VAL B N +7254 C CA . VAL B 367 ? 0.7542 0.6583 0.6327 -0.0156 -0.0448 0.0042 368 VAL B CA +7255 C C . VAL B 367 ? 0.7251 0.6268 0.5995 -0.0150 -0.0469 0.0028 368 VAL B C +7256 O O . VAL B 367 ? 0.6857 0.5828 0.5543 -0.0143 -0.0460 0.0029 368 VAL B O +7257 C CB . VAL B 367 ? 0.7314 0.6332 0.6064 -0.0139 -0.0441 0.0054 368 VAL B CB +7258 C CG1 . VAL B 367 ? 0.7815 0.6838 0.6545 -0.0118 -0.0471 0.0050 368 VAL B CG1 +7259 C CG2 . VAL B 367 ? 0.7360 0.6404 0.6155 -0.0145 -0.0422 0.0066 368 VAL B CG2 +7260 N N . ILE B 368 ? 0.7113 0.6163 0.5887 -0.0153 -0.0496 0.0016 369 ILE B N +7261 C CA . ILE B 368 ? 0.7087 0.6120 0.5829 -0.0151 -0.0518 0.0001 369 ILE B CA +7262 C C . ILE B 368 ? 0.7688 0.6755 0.6445 -0.0141 -0.0553 -0.0009 369 ILE B C +7263 O O . ILE B 368 ? 0.7237 0.6354 0.6054 -0.0148 -0.0562 -0.0010 369 ILE B O +7264 C CB . ILE B 368 ? 0.8661 0.7701 0.7430 -0.0173 -0.0513 -0.0009 369 ILE B CB +7265 C CG1 . ILE B 368 ? 0.8359 0.7364 0.7108 -0.0180 -0.0479 -0.0001 369 ILE B CG1 +7266 C CG2 . ILE B 368 ? 0.7771 0.6797 0.6512 -0.0173 -0.0538 -0.0026 369 ILE B CG2 +7267 C CD1 . ILE B 368 ? 0.9452 0.8462 0.8230 -0.0199 -0.0470 -0.0008 369 ILE B CD1 +7268 N N . LEU B 369 ? 0.7004 0.6042 0.5704 -0.0123 -0.0574 -0.0015 370 LEU B N +7269 C CA . LEU B 369 ? 0.7027 0.6095 0.5736 -0.0109 -0.0610 -0.0025 370 LEU B CA +7270 C C . LEU B 369 ? 0.7292 0.6354 0.5983 -0.0113 -0.0637 -0.0044 370 LEU B C +7271 O O . LEU B 369 ? 0.7856 0.6866 0.6485 -0.0108 -0.0632 -0.0047 370 LEU B O +7272 C CB . LEU B 369 ? 0.6669 0.5711 0.5326 -0.0081 -0.0617 -0.0016 370 LEU B CB +7273 C CG . LEU B 369 ? 0.7705 0.6766 0.6388 -0.0073 -0.0604 -0.0001 370 LEU B CG +7274 C CD1 . LEU B 369 ? 0.8093 0.7131 0.6776 -0.0085 -0.0565 0.0014 370 LEU B CD1 +7275 C CD2 . LEU B 369 ? 0.7636 0.6674 0.6269 -0.0042 -0.0620 0.0004 370 LEU B CD2 +7276 N N . THR B 370 ? 0.7824 0.6936 0.6566 -0.0121 -0.0663 -0.0058 371 THR B N +7277 C CA . THR B 370 ? 0.8175 0.7288 0.6907 -0.0125 -0.0691 -0.0078 371 THR B CA +7278 C C . THR B 370 ? 0.8410 0.7550 0.7140 -0.0105 -0.0730 -0.0088 371 THR B C +7279 O O . THR B 370 ? 0.8213 0.7383 0.6966 -0.0091 -0.0735 -0.0081 371 THR B O +7280 C CB . THR B 370 ? 0.8176 0.7326 0.6972 -0.0155 -0.0691 -0.0089 371 THR B CB +7281 O OG1 . THR B 370 ? 0.7354 0.6568 0.6222 -0.0161 -0.0700 -0.0090 371 THR B OG1 +7282 C CG2 . THR B 370 ? 0.7915 0.7040 0.6715 -0.0173 -0.0654 -0.0079 371 THR B CG2 +7283 N N . ASP B 371 ? 0.9118 0.8247 0.7820 -0.0103 -0.0759 -0.0106 372 ASP B N +7284 C CA . ASP B 371 ? 0.9044 0.8212 0.7761 -0.0090 -0.0800 -0.0121 372 ASP B CA +7285 C C . ASP B 371 ? 0.8548 0.7786 0.7354 -0.0114 -0.0811 -0.0133 372 ASP B C +7286 O O . ASP B 371 ? 0.9301 0.8553 0.8153 -0.0140 -0.0787 -0.0130 372 ASP B O +7287 C CB . ASP B 371 ? 1.0427 0.9557 0.9076 -0.0076 -0.0828 -0.0135 372 ASP B CB +7288 C CG . ASP B 371 ? 0.9339 0.8450 0.7983 -0.0100 -0.0828 -0.0149 372 ASP B CG +7289 O OD1 . ASP B 371 ? 0.9635 0.8774 0.8337 -0.0129 -0.0815 -0.0153 372 ASP B OD1 +7290 O OD2 . ASP B 371 ? 1.2395 1.1457 1.0969 -0.0090 -0.0840 -0.0157 372 ASP B OD2 +7291 N N . LYS B 372 ? 1.0341 0.9625 0.9174 -0.0105 -0.0849 -0.0149 373 LYS B N +7292 C CA . LYS B 372 ? 1.0191 0.9547 0.9111 -0.0128 -0.0860 -0.0162 373 LYS B CA +7293 C C . LYS B 372 ? 0.9681 0.9030 0.8619 -0.0162 -0.0855 -0.0174 373 LYS B C +7294 O O . LYS B 372 ? 1.2096 1.1491 1.1105 -0.0188 -0.0848 -0.0178 373 LYS B O +7295 C CB . LYS B 372 ? 1.2409 1.1812 1.1347 -0.0111 -0.0905 -0.0179 373 LYS B CB +7296 C CG . LYS B 372 ? 1.5199 1.4564 1.4072 -0.0099 -0.0936 -0.0195 373 LYS B CG +7297 C CD . LYS B 372 ? 1.4785 1.4186 1.3659 -0.0073 -0.0980 -0.0209 373 LYS B CD +7298 C CE . LYS B 372 ? 1.5118 1.4471 1.3913 -0.0056 -0.1010 -0.0222 373 LYS B CE +7299 N NZ . LYS B 372 ? 1.5614 1.4985 1.4388 -0.0020 -0.1049 -0.0229 373 LYS B NZ +7300 N N . ASN B 373 ? 1.0763 1.0052 0.9635 -0.0161 -0.0856 -0.0179 374 ASN B N +7301 C CA . ASN B 373 ? 1.0433 0.9706 0.9311 -0.0190 -0.0852 -0.0191 374 ASN B CA +7302 C C . ASN B 373 ? 1.0922 1.0154 0.9787 -0.0204 -0.0809 -0.0176 374 ASN B C +7303 O O . ASN B 373 ? 1.1327 1.0528 1.0176 -0.0222 -0.0804 -0.0184 374 ASN B O +7304 C CB . ASN B 373 ? 1.1592 1.0824 1.0404 -0.0182 -0.0879 -0.0208 374 ASN B CB +7305 C CG . ASN B 373 ? 1.1971 1.1242 1.0791 -0.0167 -0.0925 -0.0226 374 ASN B CG +7306 O OD1 . ASN B 373 ? 1.3021 1.2361 1.1914 -0.0174 -0.0940 -0.0233 374 ASN B OD1 +7307 N ND2 . ASN B 373 ? 1.2906 1.2133 1.1651 -0.0145 -0.0948 -0.0234 374 ASN B ND2 +7308 N N . GLY B 374 ? 0.9425 0.8653 0.8294 -0.0195 -0.0780 -0.0154 375 GLY B N +7309 C CA . GLY B 374 ? 1.0019 0.9215 0.8883 -0.0208 -0.0741 -0.0140 375 GLY B CA +7310 C C . GLY B 374 ? 1.0462 0.9587 0.9246 -0.0198 -0.0726 -0.0135 375 GLY B C +7311 O O . GLY B 374 ? 0.8718 0.7815 0.7497 -0.0210 -0.0696 -0.0127 375 GLY B O +7312 N N . VAL B 375 ? 0.8610 0.7703 0.7330 -0.0175 -0.0746 -0.0140 376 VAL B N +7313 C CA . VAL B 375 ? 0.9803 0.8827 0.8443 -0.0163 -0.0730 -0.0134 376 VAL B CA +7314 C C . VAL B 375 ? 0.9469 0.8474 0.8085 -0.0145 -0.0703 -0.0112 376 VAL B C +7315 O O . VAL B 375 ? 0.8125 0.7153 0.6749 -0.0128 -0.0714 -0.0105 376 VAL B O +7316 C CB . VAL B 375 ? 0.9922 0.8918 0.8499 -0.0145 -0.0763 -0.0149 376 VAL B CB +7317 C CG1 . VAL B 375 ? 0.9167 0.8090 0.7658 -0.0132 -0.0744 -0.0143 376 VAL B CG1 +7318 C CG2 . VAL B 375 ? 0.9293 0.8307 0.7895 -0.0165 -0.0790 -0.0173 376 VAL B CG2 +7319 N N . VAL B 376 ? 0.7422 0.6386 0.6011 -0.0150 -0.0668 -0.0101 377 VAL B N +7320 C CA . VAL B 376 ? 0.8683 0.7629 0.7254 -0.0138 -0.0640 -0.0080 377 VAL B CA +7321 C C . VAL B 376 ? 0.9202 0.8106 0.7697 -0.0110 -0.0651 -0.0077 377 VAL B C +7322 O O . VAL B 376 ? 0.9167 0.8025 0.7598 -0.0104 -0.0655 -0.0084 377 VAL B O +7323 C CB . VAL B 376 ? 0.8942 0.7857 0.7504 -0.0150 -0.0601 -0.0071 377 VAL B CB +7324 C CG1 . VAL B 376 ? 0.7778 0.6664 0.6306 -0.0137 -0.0573 -0.0052 377 VAL B CG1 +7325 C CG2 . VAL B 376 ? 0.8695 0.7652 0.7335 -0.0174 -0.0588 -0.0070 377 VAL B CG2 +7326 N N . LYS B 377 ? 0.8350 0.7268 0.6847 -0.0094 -0.0654 -0.0066 378 LYS B N +7327 C CA . LYS B 377 ? 0.8848 0.7724 0.7272 -0.0066 -0.0663 -0.0061 378 LYS B CA +7328 C C . LYS B 377 ? 0.8356 0.7200 0.6750 -0.0057 -0.0630 -0.0040 378 LYS B C +7329 O O . LYS B 377 ? 0.8381 0.7173 0.6699 -0.0038 -0.0628 -0.0034 378 LYS B O +7330 C CB . LYS B 377 ? 0.8340 0.7252 0.6778 -0.0049 -0.0702 -0.0068 378 LYS B CB +7331 C CG . LYS B 377 ? 0.9246 0.8183 0.7697 -0.0053 -0.0740 -0.0091 378 LYS B CG +7332 C CD . LYS B 377 ? 0.9713 0.8591 0.8083 -0.0044 -0.0749 -0.0100 378 LYS B CD +7333 C CE . LYS B 377 ? 1.2015 1.0914 1.0390 -0.0044 -0.0792 -0.0124 378 LYS B CE +7334 N NZ . LYS B 377 ? 1.2643 1.1553 1.0994 -0.0016 -0.0829 -0.0128 378 LYS B NZ +7335 N N . ALA B 378 ? 0.7981 0.6852 0.6428 -0.0070 -0.0605 -0.0028 379 ALA B N +7336 C CA . ALA B 378 ? 0.7762 0.6604 0.6185 -0.0065 -0.0573 -0.0009 379 ALA B CA +7337 C C . ALA B 378 ? 0.8712 0.7584 0.7199 -0.0087 -0.0544 -0.0001 379 ALA B C +7338 O O . ALA B 378 ? 0.7879 0.6799 0.6432 -0.0102 -0.0552 -0.0008 379 ALA B O +7339 C CB . ALA B 378 ? 0.6587 0.5430 0.4993 -0.0042 -0.0586 0.0000 379 ALA B CB +7340 N N . ASP B 379 ? 0.6049 0.4891 0.4514 -0.0089 -0.0510 0.0013 380 ASP B N +7341 C CA . ASP B 379 ? 0.7022 0.5889 0.5544 -0.0107 -0.0482 0.0021 380 ASP B CA +7342 C C . ASP B 379 ? 0.7410 0.6245 0.5901 -0.0103 -0.0451 0.0038 380 ASP B C +7343 O O . ASP B 379 ? 0.7218 0.6007 0.5642 -0.0087 -0.0449 0.0043 380 ASP B O +7344 C CB . ASP B 379 ? 0.6544 0.5413 0.5085 -0.0127 -0.0471 0.0013 380 ASP B CB +7345 C CG . ASP B 379 ? 0.7227 0.6040 0.5703 -0.0124 -0.0454 0.0011 380 ASP B CG +7346 O OD1 . ASP B 379 ? 0.7308 0.6083 0.5736 -0.0115 -0.0434 0.0022 380 ASP B OD1 +7347 O OD2 . ASP B 379 ? 0.7796 0.6601 0.6266 -0.0132 -0.0459 -0.0001 380 ASP B OD2 +7348 N N . ILE B 380 ? 0.8128 0.6987 0.6668 -0.0117 -0.0428 0.0046 381 ILE B N +7349 C CA . ILE B 380 ? 0.6855 0.5685 0.5373 -0.0117 -0.0395 0.0060 381 ILE B CA +7350 C C . ILE B 380 ? 0.7303 0.6118 0.5819 -0.0132 -0.0369 0.0058 381 ILE B C +7351 O O . ILE B 380 ? 0.7072 0.5920 0.5644 -0.0148 -0.0362 0.0055 381 ILE B O +7352 C CB . ILE B 380 ? 0.7660 0.6523 0.6227 -0.0121 -0.0386 0.0071 381 ILE B CB +7353 C CG1 . ILE B 380 ? 0.7191 0.6062 0.5750 -0.0103 -0.0411 0.0073 381 ILE B CG1 +7354 C CG2 . ILE B 380 ? 0.6665 0.5501 0.5214 -0.0126 -0.0352 0.0084 381 ILE B CG2 +7355 C CD1 . ILE B 380 ? 0.6862 0.5767 0.5470 -0.0105 -0.0405 0.0082 381 ILE B CD1 +7356 N N . PRO B 381 ? 0.7252 0.6017 0.5705 -0.0127 -0.0354 0.0059 382 PRO B N +7357 C CA . PRO B 381 ? 0.6780 0.5532 0.5229 -0.0139 -0.0331 0.0054 382 PRO B CA +7358 C C . PRO B 381 ? 0.7270 0.6031 0.5751 -0.0151 -0.0297 0.0064 382 PRO B C +7359 O O . PRO B 381 ? 0.7133 0.5893 0.5614 -0.0150 -0.0285 0.0076 382 PRO B O +7360 C CB . PRO B 381 ? 0.7159 0.5854 0.5527 -0.0127 -0.0326 0.0053 382 PRO B CB +7361 C CG . PRO B 381 ? 0.7018 0.5691 0.5347 -0.0112 -0.0331 0.0064 382 PRO B CG +7362 C CD . PRO B 381 ? 0.6825 0.5543 0.5202 -0.0109 -0.0360 0.0062 382 PRO B CD +7363 N N A PHE B 382 ? 0.6817 0.5588 0.5324 -0.0163 -0.0282 0.0059 383 PHE B N +7364 N N B PHE B 382 ? 0.6823 0.5596 0.5332 -0.0163 -0.0283 0.0059 383 PHE B N +7365 C CA A PHE B 382 ? 0.7264 0.6044 0.5799 -0.0174 -0.0250 0.0066 383 PHE B CA +7366 C CA B PHE B 382 ? 0.7280 0.6060 0.5815 -0.0175 -0.0250 0.0065 383 PHE B CA +7367 C C A PHE B 382 ? 0.6952 0.5687 0.5430 -0.0172 -0.0224 0.0067 383 PHE B C +7368 C C B PHE B 382 ? 0.6956 0.5690 0.5432 -0.0172 -0.0224 0.0067 383 PHE B C +7369 O O A PHE B 382 ? 0.7461 0.6176 0.5915 -0.0171 -0.0204 0.0077 383 PHE B O +7370 O O B PHE B 382 ? 0.7467 0.6183 0.5922 -0.0171 -0.0204 0.0077 383 PHE B O +7371 C CB A PHE B 382 ? 0.6461 0.5275 0.5053 -0.0187 -0.0250 0.0059 383 PHE B CB +7372 C CB B PHE B 382 ? 0.6447 0.5262 0.5040 -0.0187 -0.0249 0.0058 383 PHE B CB +7373 C CG A PHE B 382 ? 0.6948 0.5783 0.5582 -0.0197 -0.0223 0.0065 383 PHE B CG +7374 C CG B PHE B 382 ? 0.6964 0.5798 0.5598 -0.0197 -0.0222 0.0065 383 PHE B CG +7375 C CD1 A PHE B 382 ? 0.6352 0.5169 0.4972 -0.0201 -0.0195 0.0064 383 PHE B CD1 +7376 C CD1 B PHE B 382 ? 0.6345 0.5162 0.4964 -0.0201 -0.0194 0.0064 383 PHE B CD1 +7377 C CD2 A PHE B 382 ? 0.6169 0.5043 0.4859 -0.0204 -0.0226 0.0071 383 PHE B CD2 +7378 C CD2 B PHE B 382 ? 0.6156 0.5029 0.4845 -0.0204 -0.0226 0.0071 383 PHE B CD2 +7379 C CE1 A PHE B 382 ? 0.6679 0.5519 0.5341 -0.0210 -0.0171 0.0069 383 PHE B CE1 +7380 C CE1 B PHE B 382 ? 0.6688 0.5527 0.5348 -0.0210 -0.0171 0.0069 383 PHE B CE1 +7381 C CE2 A PHE B 382 ? 0.6707 0.5600 0.5435 -0.0213 -0.0203 0.0076 383 PHE B CE2 +7382 C CE2 B PHE B 382 ? 0.6725 0.5617 0.5451 -0.0213 -0.0203 0.0077 383 PHE B CE2 +7383 C CZ A PHE B 382 ? 0.6213 0.5091 0.4928 -0.0216 -0.0177 0.0075 383 PHE B CZ +7384 C CZ B PHE B 382 ? 0.6217 0.5094 0.4931 -0.0216 -0.0176 0.0075 383 PHE B CZ +7385 N N A ARG B 383 ? 0.6761 0.5476 0.5212 -0.0171 -0.0222 0.0057 384 ARG B N +7386 N N B ARG B 383 ? 0.6750 0.5464 0.5200 -0.0170 -0.0224 0.0056 384 ARG B N +7387 C CA A ARG B 383 ? 0.7434 0.6101 0.5821 -0.0166 -0.0200 0.0057 384 ARG B CA +7388 C CA B ARG B 383 ? 0.7436 0.6103 0.5823 -0.0165 -0.0201 0.0056 384 ARG B CA +7389 C C A ARG B 383 ? 0.8636 0.7263 0.6955 -0.0151 -0.0217 0.0058 384 ARG B C +7390 C C B ARG B 383 ? 0.8669 0.7296 0.6986 -0.0150 -0.0217 0.0057 384 ARG B C +7391 O O A ARG B 383 ? 0.7540 0.6166 0.5847 -0.0143 -0.0248 0.0049 384 ARG B O +7392 O O B ARG B 383 ? 0.7559 0.6182 0.5861 -0.0143 -0.0247 0.0048 384 ARG B O +7393 C CB A ARG B 383 ? 0.7400 0.6058 0.5781 -0.0168 -0.0193 0.0044 384 ARG B CB +7394 C CB B ARG B 383 ? 0.7396 0.6055 0.5777 -0.0168 -0.0194 0.0044 384 ARG B CB +7395 C CG A ARG B 383 ? 0.7153 0.5836 0.5582 -0.0180 -0.0165 0.0045 384 ARG B CG +7396 C CG B ARG B 383 ? 0.7148 0.5833 0.5580 -0.0180 -0.0167 0.0044 384 ARG B CG +7397 C CD A ARG B 383 ? 0.7293 0.5966 0.5714 -0.0180 -0.0161 0.0032 384 ARG B CD +7398 C CD B ARG B 383 ? 0.7288 0.5962 0.5710 -0.0180 -0.0162 0.0031 384 ARG B CD +7399 N NE A ARG B 383 ? 0.7589 0.6284 0.6053 -0.0188 -0.0133 0.0032 384 ARG B NE +7400 N NE B ARG B 383 ? 0.7602 0.6296 0.6065 -0.0188 -0.0135 0.0032 384 ARG B NE +7401 C CZ A ARG B 383 ? 0.7365 0.6053 0.5828 -0.0187 -0.0122 0.0022 384 ARG B CZ +7402 C CZ B ARG B 383 ? 0.7376 0.6063 0.5838 -0.0187 -0.0123 0.0022 384 ARG B CZ +7403 N NH1 A ARG B 383 ? 0.6395 0.5055 0.4818 -0.0181 -0.0135 0.0011 384 ARG B NH1 +7404 N NH1 B ARG B 383 ? 0.6367 0.5026 0.4789 -0.0180 -0.0137 0.0010 384 ARG B NH1 +7405 N NH2 A ARG B 383 ? 0.6838 0.5548 0.5340 -0.0193 -0.0097 0.0023 384 ARG B NH2 +7406 N NH2 B ARG B 383 ? 0.6846 0.5556 0.5348 -0.0193 -0.0098 0.0022 384 ARG B NH2 +7407 N N . ARG B 384 ? 0.7270 0.5865 0.5544 -0.0146 -0.0199 0.0068 385 ARG B N +7408 C CA . ARG B 384 ? 0.7878 0.6430 0.6083 -0.0130 -0.0215 0.0071 385 ARG B CA +7409 C C . ARG B 384 ? 0.8139 0.6643 0.6272 -0.0122 -0.0211 0.0063 385 ARG B C +7410 O O . ARG B 384 ? 0.8016 0.6495 0.6101 -0.0107 -0.0238 0.0059 385 ARG B O +7411 C CB . ARG B 384 ? 0.8041 0.6569 0.6218 -0.0127 -0.0198 0.0086 385 ARG B CB +7412 C CG . ARG B 384 ? 0.9015 0.7583 0.7253 -0.0136 -0.0195 0.0095 385 ARG B CG +7413 C CD . ARG B 384 ? 0.8019 0.6633 0.6311 -0.0133 -0.0228 0.0091 385 ARG B CD +7414 N NE . ARG B 384 ? 0.7968 0.6597 0.6284 -0.0133 -0.0230 0.0102 385 ARG B NE +7415 C CZ . ARG B 384 ? 0.8555 0.7224 0.6935 -0.0146 -0.0219 0.0106 385 ARG B CZ +7416 N NH1 . ARG B 384 ? 0.7306 0.6006 0.5736 -0.0160 -0.0206 0.0101 385 ARG B NH1 +7417 N NH2 . ARG B 384 ? 0.7152 0.5827 0.5543 -0.0143 -0.0221 0.0116 385 ARG B NH2 +7418 N N . ALA B 385 ? 0.7518 0.6011 0.5646 -0.0130 -0.0181 0.0060 386 ALA B N +7419 C CA . ALA B 385 ? 0.7766 0.6206 0.5819 -0.0122 -0.0168 0.0055 386 ALA B CA +7420 C C . ALA B 385 ? 0.9607 0.8038 0.7636 -0.0114 -0.0197 0.0040 386 ALA B C +7421 O O . ALA B 385 ? 1.2546 1.0928 1.0503 -0.0104 -0.0192 0.0036 386 ALA B O +7422 C CB . ALA B 385 ? 0.8517 0.6956 0.6579 -0.0134 -0.0127 0.0055 386 ALA B CB +7423 N N . GLU B 386 ? 0.9712 0.8183 0.7795 -0.0117 -0.0226 0.0032 387 GLU B N +7424 C CA . GLU B 386 ? 1.2105 1.0562 1.0157 -0.0108 -0.0258 0.0017 387 GLU B CA +7425 C C . GLU B 386 ? 0.9837 0.8328 0.7923 -0.0104 -0.0298 0.0015 387 GLU B C +7426 O O . GLU B 386 ? 0.9354 0.7859 0.7453 -0.0105 -0.0326 0.0001 387 GLU B O +7427 C CB . GLU B 386 ? 1.3662 1.2125 1.1732 -0.0116 -0.0251 0.0004 387 GLU B CB +7428 C CG . GLU B 386 ? 1.1216 0.9628 0.9218 -0.0110 -0.0224 0.0000 387 GLU B CG +7429 C CD . GLU B 386 ? 1.6924 1.5343 1.4949 -0.0118 -0.0211 -0.0012 387 GLU B CD +7430 O OE1 . GLU B 386 ? 1.8410 1.6864 1.6490 -0.0126 -0.0230 -0.0020 387 GLU B OE1 +7431 O OE2 . GLU B 386 ? 1.5132 1.3520 1.3118 -0.0116 -0.0180 -0.0013 387 GLU B OE2 +7432 N N . SER B 387 ? 0.8235 0.6739 0.6336 -0.0101 -0.0301 0.0027 388 SER B N +7433 C CA . SER B 387 ? 0.8481 0.7015 0.6608 -0.0095 -0.0338 0.0026 388 SER B CA +7434 C C . SER B 387 ? 0.8823 0.7326 0.6887 -0.0078 -0.0370 0.0016 388 SER B C +7435 O O . SER B 387 ? 0.8447 0.6896 0.6434 -0.0065 -0.0363 0.0020 388 SER B O +7436 C CB . SER B 387 ? 0.7879 0.6423 0.6020 -0.0092 -0.0331 0.0041 388 SER B CB +7437 O OG . SER B 387 ? 0.9535 0.8104 0.7694 -0.0082 -0.0367 0.0040 388 SER B OG +7438 N N . LYS B 388 ? 0.7548 0.6083 0.5645 -0.0077 -0.0407 0.0004 389 LYS B N +7439 C CA . LYS B 388 ? 0.8212 0.6729 0.6261 -0.0060 -0.0443 -0.0004 389 LYS B CA +7440 C C . LYS B 388 ? 0.9054 0.7615 0.7146 -0.0053 -0.0475 -0.0004 389 LYS B C +7441 O O . LYS B 388 ? 0.8377 0.6924 0.6429 -0.0035 -0.0506 -0.0009 389 LYS B O +7442 C CB . LYS B 388 ? 0.8743 0.7251 0.6776 -0.0062 -0.0463 -0.0023 389 LYS B CB +7443 C CG . LYS B 388 ? 1.1120 0.9635 0.9184 -0.0081 -0.0439 -0.0029 389 LYS B CG +7444 C CD . LYS B 388 ? 1.2232 1.0689 1.0222 -0.0076 -0.0418 -0.0033 389 LYS B CD +7445 C CE . LYS B 388 ? 1.4289 1.2755 1.2314 -0.0092 -0.0397 -0.0040 389 LYS B CE +7446 N NZ . LYS B 388 ? 1.7628 1.6042 1.5583 -0.0086 -0.0388 -0.0050 389 LYS B NZ +7447 N N . TYR B 389 ? 0.8288 0.6900 0.6459 -0.0066 -0.0469 0.0002 390 TYR B N +7448 C CA . TYR B 389 ? 0.7498 0.6158 0.5717 -0.0062 -0.0499 0.0000 390 TYR B CA +7449 C C . TYR B 389 ? 0.7908 0.6578 0.6142 -0.0056 -0.0487 0.0017 390 TYR B C +7450 O O . TYR B 389 ? 0.7875 0.6592 0.6163 -0.0055 -0.0506 0.0017 390 TYR B O +7451 C CB . TYR B 389 ? 0.7383 0.6099 0.5684 -0.0082 -0.0508 -0.0010 390 TYR B CB +7452 C CG . TYR B 389 ? 0.8158 0.6869 0.6449 -0.0088 -0.0526 -0.0028 390 TYR B CG +7453 C CD1 . TYR B 389 ? 0.9198 0.7910 0.7467 -0.0077 -0.0565 -0.0042 390 TYR B CD1 +7454 C CD2 . TYR B 389 ? 0.8629 0.7333 0.6933 -0.0105 -0.0504 -0.0033 390 TYR B CD2 +7455 C CE1 . TYR B 389 ? 0.9434 0.8139 0.7693 -0.0084 -0.0582 -0.0060 390 TYR B CE1 +7456 C CE2 . TYR B 389 ? 0.9115 0.7810 0.7408 -0.0111 -0.0520 -0.0050 390 TYR B CE2 +7457 C CZ . TYR B 389 ? 0.9431 0.8126 0.7701 -0.0101 -0.0559 -0.0063 390 TYR B CZ +7458 O OH . TYR B 389 ? 1.0476 0.9161 0.8734 -0.0108 -0.0577 -0.0082 390 TYR B OH +7459 N N . SER B 390 ? 0.7228 0.5855 0.5417 -0.0052 -0.0457 0.0030 391 SER B N +7460 C CA . SER B 390 ? 0.7161 0.5794 0.5364 -0.0049 -0.0443 0.0046 391 SER B CA +7461 C C . SER B 390 ? 0.7697 0.6334 0.5884 -0.0027 -0.0476 0.0047 391 SER B C +7462 O O . SER B 390 ? 0.8070 0.6689 0.6213 -0.0011 -0.0504 0.0038 391 SER B O +7463 C CB . SER B 390 ? 0.7163 0.5740 0.5308 -0.0048 -0.0407 0.0059 391 SER B CB +7464 O OG . SER B 390 ? 0.7618 0.6140 0.5677 -0.0028 -0.0417 0.0060 391 SER B OG +7465 N N . PHE B 391 ? 0.7546 0.6211 0.5773 -0.0026 -0.0473 0.0057 392 PHE B N +7466 C CA . PHE B 391 ? 0.8465 0.7136 0.6681 -0.0003 -0.0502 0.0058 392 PHE B CA +7467 C C . PHE B 391 ? 0.8809 0.7411 0.6928 0.0019 -0.0501 0.0065 392 PHE B C +7468 O O . PHE B 391 ? 0.7865 0.6459 0.5952 0.0043 -0.0533 0.0062 392 PHE B O +7469 C CB . PHE B 391 ? 0.7440 0.6144 0.5707 -0.0005 -0.0492 0.0069 392 PHE B CB +7470 C CG . PHE B 391 ? 0.7940 0.6716 0.6300 -0.0020 -0.0502 0.0062 392 PHE B CG +7471 C CD1 . PHE B 391 ? 0.7655 0.6459 0.6056 -0.0039 -0.0503 0.0051 392 PHE B CD1 +7472 C CD2 . PHE B 391 ? 0.7781 0.6596 0.6187 -0.0014 -0.0510 0.0067 392 PHE B CD2 +7473 C CE1 . PHE B 391 ? 0.8961 0.7828 0.7445 -0.0054 -0.0510 0.0045 392 PHE B CE1 +7474 C CE2 . PHE B 391 ? 0.7378 0.6256 0.5866 -0.0028 -0.0516 0.0061 392 PHE B CE2 +7475 C CZ . PHE B 391 ? 0.7419 0.6323 0.5945 -0.0048 -0.0516 0.0051 392 PHE B CZ +7476 N N . GLU B 392 ? 0.8041 0.6593 0.6115 0.0012 -0.0465 0.0076 393 GLU B N +7477 C CA . GLU B 392 ? 0.7887 0.6366 0.5864 0.0030 -0.0459 0.0084 393 GLU B CA +7478 C C . GLU B 392 ? 0.8501 0.6951 0.6420 0.0042 -0.0482 0.0072 393 GLU B C +7479 O O . GLU B 392 ? 0.9451 0.7863 0.7304 0.0067 -0.0503 0.0072 393 GLU B O +7480 C CB . GLU B 392 ? 0.7290 0.5730 0.5241 0.0015 -0.0412 0.0097 393 GLU B CB +7481 C CG . GLU B 392 ? 0.7451 0.5904 0.5439 0.0007 -0.0390 0.0110 393 GLU B CG +7482 C CD . GLU B 392 ? 0.8508 0.7024 0.6590 -0.0017 -0.0378 0.0107 393 GLU B CD +7483 O OE1 . GLU B 392 ? 0.7706 0.6262 0.5831 -0.0025 -0.0394 0.0094 393 GLU B OE1 +7484 O OE2 . GLU B 392 ? 0.8211 0.6736 0.6323 -0.0029 -0.0354 0.0117 393 GLU B OE2 +7485 N N . GLN B 393 ? 0.8297 0.6761 0.6237 0.0026 -0.0478 0.0060 394 GLN B N +7486 C CA . GLN B 393 ? 0.7320 0.5758 0.5208 0.0036 -0.0500 0.0046 394 GLN B CA +7487 C C . GLN B 393 ? 0.9733 0.8209 0.7643 0.0051 -0.0549 0.0033 394 GLN B C +7488 O O . GLN B 393 ? 0.8583 0.7028 0.6432 0.0070 -0.0576 0.0025 394 GLN B O +7489 C CB . GLN B 393 ? 0.8110 0.6558 0.6022 0.0014 -0.0484 0.0036 394 GLN B CB +7490 C CG . GLN B 393 ? 0.8274 0.6674 0.6142 0.0004 -0.0440 0.0045 394 GLN B CG +7491 C CD . GLN B 393 ? 0.9429 0.7855 0.7348 -0.0020 -0.0418 0.0038 394 GLN B CD +7492 O OE1 . GLN B 393 ? 0.8570 0.7051 0.6570 -0.0035 -0.0415 0.0038 394 GLN B OE1 +7493 N NE2 . GLN B 393 ? 0.7516 0.5902 0.5385 -0.0022 -0.0403 0.0032 394 GLN B NE2 +7494 N N . GLN B 394 ? 0.8876 0.7420 0.6873 0.0043 -0.0563 0.0030 395 GLN B N +7495 C CA . GLN B 394 ? 0.8054 0.6643 0.6085 0.0052 -0.0608 0.0014 395 GLN B CA +7496 C C . GLN B 394 ? 0.8017 0.6618 0.6045 0.0076 -0.0632 0.0019 395 GLN B C +7497 O O . GLN B 394 ? 0.8572 0.7213 0.6627 0.0087 -0.0670 0.0006 395 GLN B O +7498 C CB . GLN B 394 ? 0.7935 0.6594 0.6064 0.0027 -0.0609 0.0005 395 GLN B CB +7499 C CG . GLN B 394 ? 0.8766 0.7417 0.6901 0.0005 -0.0591 -0.0003 395 GLN B CG +7500 C CD . GLN B 394 ? 1.0419 0.9034 0.8491 0.0014 -0.0613 -0.0017 395 GLN B CD +7501 O OE1 . GLN B 394 ? 0.8519 0.7147 0.6582 0.0029 -0.0653 -0.0029 395 GLN B OE1 +7502 N NE2 . GLN B 394 ? 0.9315 0.7885 0.7343 0.0006 -0.0588 -0.0017 395 GLN B NE2 +7503 N N . GLY B 395 ? 0.7589 0.6156 0.5585 0.0086 -0.0610 0.0037 396 GLY B N +7504 C CA . GLY B 395 ? 0.8644 0.7213 0.6628 0.0111 -0.0631 0.0043 396 GLY B CA +7505 C C . GLY B 395 ? 1.0448 0.9096 0.8526 0.0108 -0.0649 0.0038 396 GLY B C +7506 O O . GLY B 395 ? 0.8703 0.7377 0.6788 0.0129 -0.0686 0.0030 396 GLY B O +7507 N N . VAL B 396 ? 0.9533 0.8221 0.7684 0.0082 -0.0624 0.0041 397 VAL B N +7508 C CA . VAL B 396 ? 0.8018 0.6782 0.6260 0.0075 -0.0638 0.0036 397 VAL B CA +7509 C C . VAL B 396 ? 0.7678 0.6446 0.5924 0.0093 -0.0638 0.0048 397 VAL B C +7510 O O . VAL B 396 ? 0.8104 0.6830 0.6317 0.0093 -0.0608 0.0064 397 VAL B O +7511 C CB . VAL B 396 ? 0.7898 0.6699 0.6211 0.0041 -0.0611 0.0036 397 VAL B CB +7512 C CG1 . VAL B 396 ? 0.7302 0.6181 0.5706 0.0034 -0.0627 0.0029 397 VAL B CG1 +7513 C CG2 . VAL B 396 ? 0.7845 0.6634 0.6147 0.0024 -0.0607 0.0025 397 VAL B CG2 +7514 N N . THR B 397 ? 0.7868 0.6686 0.6154 0.0108 -0.0670 0.0040 398 THR B N +7515 C CA . THR B 397 ? 0.8258 0.7087 0.6556 0.0127 -0.0672 0.0050 398 THR B CA +7516 C C . THR B 397 ? 0.7349 0.6262 0.5748 0.0115 -0.0680 0.0043 398 THR B C +7517 O O . THR B 397 ? 0.7787 0.6747 0.6239 0.0097 -0.0692 0.0028 398 THR B O +7518 C CB . THR B 397 ? 0.8578 0.7383 0.6818 0.0165 -0.0707 0.0047 398 THR B CB +7519 O OG1 . THR B 397 ? 0.8223 0.7084 0.6503 0.0171 -0.0746 0.0028 398 THR B OG1 +7520 C CG2 . THR B 397 ? 0.7343 0.6064 0.5479 0.0177 -0.0701 0.0053 398 THR B CG2 +7521 N N . VAL B 398 ? 0.8347 0.7276 0.6771 0.0124 -0.0673 0.0052 399 VAL B N +7522 C CA . VAL B 398 ? 0.8725 0.7732 0.7240 0.0116 -0.0682 0.0045 399 VAL B CA +7523 C C . VAL B 398 ? 0.7188 0.6212 0.5704 0.0148 -0.0705 0.0046 399 VAL B C +7524 O O . VAL B 398 ? 0.8277 0.7251 0.6737 0.0169 -0.0697 0.0059 399 VAL B O +7525 C CB . VAL B 398 ? 0.8228 0.7254 0.6796 0.0088 -0.0645 0.0055 399 VAL B CB +7526 C CG1 . VAL B 398 ? 0.7824 0.6802 0.6353 0.0096 -0.0619 0.0073 399 VAL B CG1 +7527 C CG2 . VAL B 398 ? 0.6950 0.6056 0.5611 0.0078 -0.0654 0.0047 399 VAL B CG2 +7528 N N . SER B 399 ? 0.7791 0.6883 0.6366 0.0154 -0.0734 0.0031 400 SER B N +7529 C CA . SER B 399 ? 0.9842 0.8968 0.8437 0.0183 -0.0756 0.0029 400 SER B CA +7530 C C . SER B 399 ? 0.8395 0.7598 0.7088 0.0166 -0.0749 0.0025 400 SER B C +7531 O O . SER B 399 ? 0.8805 0.8051 0.7556 0.0137 -0.0745 0.0017 400 SER B O +7532 C CB . SER B 399 ? 0.8494 0.7637 0.7074 0.0208 -0.0801 0.0013 400 SER B CB +7533 O OG . SER B 399 ? 0.9393 0.8460 0.7877 0.0226 -0.0807 0.0018 400 SER B OG +7534 N N . PHE B 400 ? 0.7939 0.7157 0.6647 0.0186 -0.0748 0.0032 401 PHE B N +7535 C CA . PHE B 400 ? 0.8195 0.7483 0.6990 0.0174 -0.0740 0.0030 401 PHE B CA +7536 C C . PHE B 400 ? 0.8435 0.7784 0.7270 0.0200 -0.0774 0.0017 401 PHE B C +7537 O O . PHE B 400 ? 0.8980 0.8304 0.7767 0.0236 -0.0795 0.0018 401 PHE B O +7538 C CB . PHE B 400 ? 0.8201 0.7463 0.6990 0.0172 -0.0707 0.0047 401 PHE B CB +7539 C CG . PHE B 400 ? 0.8304 0.7535 0.7089 0.0138 -0.0671 0.0057 401 PHE B CG +7540 C CD1 . PHE B 400 ? 0.7973 0.7127 0.6681 0.0137 -0.0656 0.0067 401 PHE B CD1 +7541 C CD2 . PHE B 400 ? 0.7545 0.6824 0.6402 0.0108 -0.0653 0.0056 401 PHE B CD2 +7542 C CE1 . PHE B 400 ? 0.8191 0.7322 0.6899 0.0107 -0.0624 0.0075 401 PHE B CE1 +7543 C CE2 . PHE B 400 ? 0.7757 0.7008 0.6610 0.0080 -0.0622 0.0064 401 PHE B CE2 +7544 C CZ . PHE B 400 ? 0.7788 0.6967 0.6568 0.0079 -0.0608 0.0073 401 PHE B CZ +7545 N N . TYR B 401 ? 0.8133 0.7560 0.7054 0.0182 -0.0780 0.0004 402 TYR B N +7546 C CA . TYR B 401 ? 0.9116 0.8615 0.8091 0.0202 -0.0809 -0.0010 402 TYR B CA +7547 C C . TYR B 401 ? 0.9324 0.8881 0.8378 0.0187 -0.0789 -0.0008 402 TYR B C +7548 O O . TYR B 401 ? 0.8722 0.8299 0.7820 0.0151 -0.0767 -0.0007 402 TYR B O +7549 C CB . TYR B 401 ? 0.8528 0.8071 0.7533 0.0194 -0.0840 -0.0031 402 TYR B CB +7550 C CG . TYR B 401 ? 0.8636 0.8119 0.7560 0.0207 -0.0860 -0.0033 402 TYR B CG +7551 C CD1 . TYR B 401 ? 1.1424 1.0889 1.0299 0.0249 -0.0891 -0.0036 402 TYR B CD1 +7552 C CD2 . TYR B 401 ? 0.8929 0.8371 0.7823 0.0181 -0.0847 -0.0032 402 TYR B CD2 +7553 C CE1 . TYR B 401 ? 0.8996 0.8401 0.7790 0.0263 -0.0909 -0.0038 402 TYR B CE1 +7554 C CE2 . TYR B 401 ? 0.9489 0.8874 0.8305 0.0194 -0.0864 -0.0034 402 TYR B CE2 +7555 C CZ . TYR B 401 ? 1.0706 1.0071 0.9471 0.0234 -0.0894 -0.0037 402 TYR B CZ +7556 O OH . TYR B 401 ? 1.0026 0.9331 0.8710 0.0247 -0.0910 -0.0038 402 TYR B OH +7557 N N . GLY B 402 ? 0.8373 0.7955 0.7442 0.0216 -0.0796 -0.0007 403 GLY B N +7558 C CA . GLY B 402 ? 0.7253 0.6882 0.6386 0.0206 -0.0775 -0.0003 403 GLY B CA +7559 C C . GLY B 402 ? 0.8283 0.7852 0.7379 0.0197 -0.0738 0.0017 403 GLY B C +7560 O O . GLY B 402 ? 0.7705 0.7202 0.6733 0.0195 -0.0727 0.0028 403 GLY B O +7561 N N . GLY B 403 ? 0.8212 0.7815 0.7357 0.0192 -0.0718 0.0022 404 GLY B N +7562 C CA . GLY B 403 ? 0.7102 0.6658 0.6222 0.0181 -0.0683 0.0040 404 GLY B CA +7563 C C . GLY B 403 ? 0.8476 0.7961 0.7517 0.0212 -0.0683 0.0052 404 GLY B C +7564 O O . GLY B 403 ? 0.8752 0.8229 0.7761 0.0246 -0.0709 0.0047 404 GLY B O +7565 N N . GLU B 404 ? 0.7045 0.6477 0.6053 0.0199 -0.0652 0.0067 405 GLU B N +7566 C CA . GLU B 404 ? 0.8766 0.8130 0.7702 0.0225 -0.0648 0.0080 405 GLU B CA +7567 C C . GLU B 404 ? 0.8114 0.7410 0.6969 0.0237 -0.0659 0.0083 405 GLU B C +7568 O O . GLU B 404 ? 0.8991 0.8236 0.7783 0.0267 -0.0666 0.0090 405 GLU B O +7569 C CB . GLU B 404 ? 0.8942 0.8273 0.7872 0.0208 -0.0612 0.0094 405 GLU B CB +7570 C CG . GLU B 404 ? 1.0060 0.9332 0.8946 0.0182 -0.0590 0.0104 405 GLU B CG +7571 C CD . GLU B 404 ? 1.4604 1.3849 1.3488 0.0166 -0.0557 0.0117 405 GLU B CD +7572 O OE1 . GLU B 404 ? 1.1130 1.0418 1.0066 0.0164 -0.0549 0.0116 405 GLU B OE1 +7573 O OE2 . GLU B 404 ? 1.4614 1.3794 1.3443 0.0157 -0.0539 0.0127 405 GLU B OE2 +7574 N N . LEU B 405 ? 0.8137 0.7427 0.6985 0.0215 -0.0661 0.0078 406 LEU B N +7575 C CA . LEU B 405 ? 0.7692 0.6917 0.6461 0.0226 -0.0671 0.0081 406 LEU B CA +7576 C C . LEU B 405 ? 0.8159 0.7412 0.6927 0.0248 -0.0711 0.0066 406 LEU B C +7577 O O . LEU B 405 ? 0.7330 0.6540 0.6042 0.0252 -0.0722 0.0064 406 LEU B O +7578 C CB . LEU B 405 ? 0.7894 0.7088 0.6649 0.0191 -0.0649 0.0085 406 LEU B CB +7579 C CG . LEU B 405 ? 0.9371 0.8527 0.8115 0.0169 -0.0610 0.0100 406 LEU B CG +7580 C CD1 . LEU B 405 ? 0.7469 0.6587 0.6185 0.0141 -0.0592 0.0103 406 LEU B CD1 +7581 C CD2 . LEU B 405 ? 0.8331 0.7429 0.7016 0.0192 -0.0602 0.0113 406 LEU B CD2 +7582 N N . ASN B 406 ? 0.7798 0.7122 0.6626 0.0263 -0.0733 0.0054 407 ASN B N +7583 C CA . ASN B 406 ? 0.8185 0.7546 0.7023 0.0283 -0.0772 0.0037 407 ASN B CA +7584 C C . ASN B 406 ? 0.9417 0.8711 0.8163 0.0317 -0.0793 0.0041 407 ASN B C +7585 O O . ASN B 406 ? 0.8232 0.7477 0.6927 0.0343 -0.0787 0.0053 407 ASN B O +7586 C CB . ASN B 406 ? 0.8294 0.7736 0.7204 0.0300 -0.0789 0.0026 407 ASN B CB +7587 C CG . ASN B 406 ? 0.9034 0.8519 0.7957 0.0323 -0.0832 0.0008 407 ASN B CG +7588 O OD1 . ASN B 406 ? 0.8957 0.8487 0.7923 0.0302 -0.0845 -0.0006 407 ASN B OD1 +7589 N ND2 . ASN B 406 ? 1.0005 0.9475 0.8890 0.0366 -0.0855 0.0008 407 ASN B ND2 +7590 N N . GLY B 407 ? 0.8834 0.8121 0.7555 0.0317 -0.0816 0.0031 408 GLY B N +7591 C CA . GLY B 407 ? 0.8680 0.7907 0.7315 0.0350 -0.0839 0.0032 408 GLY B CA +7592 C C . GLY B 407 ? 0.9711 0.8841 0.8254 0.0344 -0.0816 0.0048 408 GLY B C +7593 O O . GLY B 407 ? 0.9948 0.9020 0.8411 0.0370 -0.0833 0.0050 408 GLY B O +7594 N N . GLN B 408 ? 0.8803 0.7911 0.7354 0.0310 -0.0777 0.0059 409 GLN B N +7595 C CA . GLN B 408 ? 0.7625 0.6644 0.6094 0.0302 -0.0752 0.0074 409 GLN B CA +7596 C C . GLN B 408 ? 0.9731 0.8741 0.8191 0.0274 -0.0749 0.0068 409 GLN B C +7597 O O . GLN B 408 ? 0.8809 0.7881 0.7338 0.0251 -0.0753 0.0056 409 GLN B O +7598 C CB . GLN B 408 ? 0.7940 0.6936 0.6416 0.0283 -0.0712 0.0090 409 GLN B CB +7599 C CG . GLN B 408 ? 0.9057 0.8059 0.7539 0.0310 -0.0714 0.0095 409 GLN B CG +7600 C CD . GLN B 408 ? 1.0094 0.9070 0.8579 0.0293 -0.0676 0.0110 409 GLN B CD +7601 O OE1 . GLN B 408 ? 0.9990 0.8908 0.8431 0.0274 -0.0649 0.0121 409 GLN B OE1 +7602 N NE2 . GLN B 408 ? 1.0330 0.9348 0.8866 0.0301 -0.0674 0.0110 409 GLN B NE2 +7603 N N . THR B 409 ? 0.8547 0.7477 0.6920 0.0278 -0.0740 0.0077 410 THR B N +7604 C CA . THR B 409 ? 0.8206 0.7115 0.6557 0.0255 -0.0734 0.0072 410 THR B CA +7605 C C . THR B 409 ? 0.8779 0.7612 0.7070 0.0240 -0.0695 0.0090 410 THR B C +7606 O O . THR B 409 ? 0.9038 0.7810 0.7265 0.0260 -0.0687 0.0103 410 THR B O +7607 C CB . THR B 409 ? 0.9228 0.8120 0.7528 0.0278 -0.0771 0.0061 410 THR B CB +7608 O OG1 . THR B 409 ? 0.9863 0.8835 0.8230 0.0288 -0.0807 0.0043 410 THR B OG1 +7609 C CG2 . THR B 409 ? 0.8400 0.7261 0.6668 0.0256 -0.0762 0.0057 410 THR B CG2 +7610 N N . PHE B 410 ? 0.8400 0.7235 0.6712 0.0205 -0.0670 0.0090 411 PHE B N +7611 C CA . PHE B 410 ? 0.8748 0.7518 0.7010 0.0189 -0.0632 0.0104 411 PHE B CA +7612 C C . PHE B 410 ? 0.8136 0.6873 0.6355 0.0177 -0.0630 0.0099 411 PHE B C +7613 O O . PHE B 410 ? 0.9057 0.7837 0.7316 0.0166 -0.0646 0.0085 411 PHE B O +7614 C CB . PHE B 410 ? 0.8394 0.7193 0.6719 0.0158 -0.0599 0.0111 411 PHE B CB +7615 C CG . PHE B 410 ? 0.9819 0.8650 0.8186 0.0168 -0.0598 0.0115 411 PHE B CG +7616 C CD1 . PHE B 410 ? 1.0348 0.9126 0.8669 0.0180 -0.0581 0.0130 411 PHE B CD1 +7617 C CD2 . PHE B 410 ? 0.9070 0.7980 0.7520 0.0166 -0.0615 0.0105 411 PHE B CD2 +7618 C CE1 . PHE B 410 ? 0.9778 0.8582 0.8134 0.0191 -0.0581 0.0134 411 PHE B CE1 +7619 C CE2 . PHE B 410 ? 0.9272 0.8209 0.7758 0.0177 -0.0614 0.0109 411 PHE B CE2 +7620 C CZ . PHE B 410 ? 0.8107 0.6992 0.6545 0.0190 -0.0598 0.0123 411 PHE B CZ +7621 N N . THR B 411 ? 0.8909 0.7566 0.7043 0.0181 -0.0611 0.0111 412 THR B N +7622 C CA . THR B 411 ? 0.8721 0.7336 0.6800 0.0175 -0.0608 0.0107 412 THR B CA +7623 C C . THR B 411 ? 0.8015 0.6582 0.6065 0.0150 -0.0564 0.0119 412 THR B C +7624 O O . THR B 411 ? 0.9209 0.7749 0.7224 0.0140 -0.0557 0.0115 412 THR B O +7625 C CB . THR B 411 ? 0.9009 0.7567 0.6996 0.0209 -0.0634 0.0107 412 THR B CB +7626 O OG1 . THR B 411 ? 0.9180 0.7670 0.7100 0.0222 -0.0614 0.0125 412 THR B OG1 +7627 C CG2 . THR B 411 ? 0.8172 0.6778 0.6187 0.0237 -0.0679 0.0095 412 THR B CG2 +7628 N N . ASP B 412 ? 0.7886 0.6440 0.5945 0.0140 -0.0535 0.0132 413 ASP B N +7629 C CA . ASP B 412 ? 1.0018 0.8530 0.8051 0.0116 -0.0493 0.0142 413 ASP B CA +7630 C C . ASP B 412 ? 0.9972 0.8538 0.8081 0.0084 -0.0478 0.0134 413 ASP B C +7631 O O . ASP B 412 ? 0.8668 0.7295 0.6856 0.0074 -0.0482 0.0131 413 ASP B O +7632 C CB . ASP B 412 ? 0.7825 0.6302 0.5841 0.0115 -0.0466 0.0158 413 ASP B CB +7633 C CG . ASP B 412 ? 1.0956 0.9492 0.9051 0.0110 -0.0468 0.0158 413 ASP B CG +7634 O OD1 . ASP B 412 ? 1.1958 1.0528 1.0076 0.0132 -0.0498 0.0153 413 ASP B OD1 +7635 O OD2 . ASP B 412 ? 1.0442 0.8991 0.8576 0.0084 -0.0438 0.0163 413 ASP B OD2 +7636 N N . PRO B 413 ? 0.9482 0.8023 0.7566 0.0068 -0.0461 0.0132 414 PRO B N +7637 C CA . PRO B 413 ? 0.8219 0.6809 0.6370 0.0041 -0.0451 0.0123 414 PRO B CA +7638 C C . PRO B 413 ? 0.9513 0.8146 0.7738 0.0020 -0.0430 0.0128 414 PRO B C +7639 O O . PRO B 413 ? 0.8363 0.7057 0.6661 0.0009 -0.0441 0.0119 414 PRO B O +7640 C CB . PRO B 413 ? 0.8916 0.7454 0.7011 0.0030 -0.0426 0.0124 414 PRO B CB +7641 C CG . PRO B 413 ? 0.8763 0.7240 0.6764 0.0058 -0.0444 0.0126 414 PRO B CG +7642 C CD . PRO B 413 ? 0.8289 0.6757 0.6278 0.0079 -0.0456 0.0135 414 PRO B CD +7643 N N . PRO B 414 ? 0.9049 0.7651 0.7257 0.0014 -0.0401 0.0142 415 PRO B N +7644 C CA . PRO B 414 ? 0.9048 0.7692 0.7327 -0.0005 -0.0383 0.0145 415 PRO B CA +7645 C C . PRO B 414 ? 0.8322 0.7025 0.6664 0.0003 -0.0407 0.0141 415 PRO B C +7646 O O . PRO B 414 ? 0.9602 0.8359 0.8016 -0.0014 -0.0404 0.0137 415 PRO B O +7647 C CB . PRO B 414 ? 0.9282 0.7874 0.7517 -0.0006 -0.0354 0.0160 415 PRO B CB +7648 C CG . PRO B 414 ? 1.0084 0.8609 0.8234 0.0000 -0.0345 0.0163 415 PRO B CG +7649 C CD . PRO B 414 ? 0.8896 0.7422 0.7020 0.0022 -0.0381 0.0154 415 PRO B CD +7650 N N . THR B 415 ? 0.9299 0.7992 0.7614 0.0030 -0.0431 0.0142 416 THR B N +7651 C CA . THR B 415 ? 0.8299 0.7049 0.6673 0.0039 -0.0453 0.0138 416 THR B CA +7652 C C . THR B 415 ? 0.8095 0.6903 0.6521 0.0036 -0.0479 0.0123 416 THR B C +7653 O O . THR B 415 ? 0.8468 0.7336 0.6966 0.0028 -0.0484 0.0118 416 THR B O +7654 C CB . THR B 415 ? 0.8056 0.6778 0.6384 0.0071 -0.0472 0.0143 416 THR B CB +7655 O OG1 . THR B 415 ? 0.8593 0.7256 0.6871 0.0072 -0.0445 0.0157 416 THR B OG1 +7656 C CG2 . THR B 415 ? 0.7492 0.6272 0.5879 0.0084 -0.0493 0.0139 416 THR B CG2 +7657 N N . VAL B 416 ? 0.7986 0.6776 0.6374 0.0043 -0.0495 0.0115 417 VAL B N +7658 C CA . VAL B 416 ? 0.7663 0.6504 0.6096 0.0039 -0.0520 0.0099 417 VAL B CA +7659 C C . VAL B 416 ? 0.8045 0.6919 0.6536 0.0007 -0.0501 0.0095 417 VAL B C +7660 O O . VAL B 416 ? 0.7789 0.6722 0.6347 -0.0003 -0.0513 0.0086 417 VAL B O +7661 C CB . VAL B 416 ? 0.8040 0.6844 0.6409 0.0052 -0.0540 0.0091 417 VAL B CB +7662 C CG1 . VAL B 416 ? 0.7269 0.6126 0.5685 0.0047 -0.0569 0.0073 417 VAL B CG1 +7663 C CG2 . VAL B 416 ? 0.8389 0.7150 0.6690 0.0085 -0.0558 0.0096 417 VAL B CG2 +7664 N N . LYS B 417 ? 0.7752 0.6589 0.6217 -0.0009 -0.0470 0.0102 418 LYS B N +7665 C CA . LYS B 417 ? 0.8180 0.7046 0.6698 -0.0036 -0.0450 0.0099 418 LYS B CA +7666 C C . LYS B 417 ? 0.8927 0.7838 0.7513 -0.0047 -0.0440 0.0104 418 LYS B C +7667 O O . LYS B 417 ? 0.7726 0.6683 0.6373 -0.0063 -0.0440 0.0098 418 LYS B O +7668 C CB . LYS B 417 ? 0.8226 0.7043 0.6701 -0.0048 -0.0418 0.0106 418 LYS B CB +7669 C CG . LYS B 417 ? 0.8005 0.6778 0.6415 -0.0041 -0.0425 0.0100 418 LYS B CG +7670 C CD . LYS B 417 ? 0.8169 0.6910 0.6557 -0.0058 -0.0392 0.0103 418 LYS B CD +7671 C CE . LYS B 417 ? 0.8142 0.6819 0.6457 -0.0050 -0.0371 0.0115 418 LYS B CE +7672 N NZ . LYS B 417 ? 0.7844 0.6488 0.6127 -0.0063 -0.0346 0.0113 418 LYS B NZ +7673 N N . SER B 418 ? 0.7452 0.6347 0.6023 -0.0036 -0.0432 0.0115 419 SER B N +7674 C CA . SER B 418 ? 0.8182 0.7118 0.6813 -0.0043 -0.0425 0.0120 419 SER B CA +7675 C C . SER B 418 ? 0.7654 0.6651 0.6344 -0.0040 -0.0450 0.0110 419 SER B C +7676 O O . SER B 418 ? 0.8089 0.7130 0.6841 -0.0058 -0.0443 0.0108 419 SER B O +7677 C CB . SER B 418 ? 0.7707 0.6613 0.6306 -0.0028 -0.0418 0.0132 419 SER B CB +7678 O OG . SER B 418 ? 1.2321 1.1197 1.0908 -0.0043 -0.0385 0.0141 419 SER B OG +7679 N N . TYR B 419 ? 0.7451 0.6453 0.6124 -0.0019 -0.0480 0.0103 420 TYR B N +7680 C CA . TYR B 419 ? 0.7319 0.6383 0.6051 -0.0016 -0.0504 0.0093 420 TYR B CA +7681 C C . TYR B 419 ? 0.6885 0.5980 0.5653 -0.0036 -0.0511 0.0081 420 TYR B C +7682 O O . TYR B 419 ? 0.7908 0.7059 0.6741 -0.0046 -0.0519 0.0074 420 TYR B O +7683 C CB . TYR B 419 ? 0.7001 0.6065 0.5707 0.0014 -0.0535 0.0088 420 TYR B CB +7684 C CG . TYR B 419 ? 0.8116 0.7168 0.6808 0.0033 -0.0531 0.0099 420 TYR B CG +7685 C CD1 . TYR B 419 ? 0.8406 0.7499 0.7155 0.0027 -0.0521 0.0102 420 TYR B CD1 +7686 C CD2 . TYR B 419 ? 0.9555 0.8550 0.8173 0.0057 -0.0535 0.0106 420 TYR B CD2 +7687 C CE1 . TYR B 419 ? 0.8546 0.7625 0.7281 0.0044 -0.0517 0.0112 420 TYR B CE1 +7688 C CE2 . TYR B 419 ? 0.8423 0.7402 0.7025 0.0074 -0.0531 0.0115 420 TYR B CE2 +7689 C CZ . TYR B 419 ? 0.9796 0.8817 0.8457 0.0068 -0.0522 0.0118 420 TYR B CZ +7690 O OH . TYR B 419 ? 1.0829 0.9832 0.9473 0.0086 -0.0518 0.0127 420 TYR B OH +7691 N N . ALA B 420 ? 0.7067 0.6125 0.5793 -0.0041 -0.0508 0.0077 421 ALA B N +7692 C CA . ALA B 420 ? 0.6660 0.5740 0.5415 -0.0061 -0.0512 0.0066 421 ALA B CA +7693 C C . ALA B 420 ? 0.7239 0.6342 0.6046 -0.0086 -0.0487 0.0070 421 ALA B C +7694 O O . ALA B 420 ? 0.7274 0.6419 0.6134 -0.0101 -0.0493 0.0061 421 ALA B O +7695 C CB . ALA B 420 ? 0.6304 0.5335 0.4998 -0.0060 -0.0512 0.0062 421 ALA B CB +7696 N N . ARG B 421 ? 0.7308 0.6383 0.6101 -0.0091 -0.0458 0.0082 422 ARG B N +7697 C CA . ARG B 421 ? 0.8179 0.7276 0.7020 -0.0112 -0.0435 0.0087 422 ARG B CA +7698 C C . ARG B 421 ? 0.7748 0.6900 0.6653 -0.0115 -0.0443 0.0086 422 ARG B C +7699 O O . ARG B 421 ? 0.7904 0.7087 0.6858 -0.0134 -0.0436 0.0083 422 ARG B O +7700 C CB . ARG B 421 ? 0.7676 0.6738 0.6491 -0.0114 -0.0406 0.0100 422 ARG B CB +7701 C CG . ARG B 421 ? 0.8101 0.7116 0.6867 -0.0119 -0.0389 0.0101 422 ARG B CG +7702 C CD . ARG B 421 ? 0.7746 0.6735 0.6499 -0.0125 -0.0360 0.0113 422 ARG B CD +7703 N NE . ARG B 421 ? 1.0693 0.9629 0.9382 -0.0121 -0.0347 0.0116 422 ARG B NE +7704 C CZ . ARG B 421 ? 1.0883 0.9779 0.9521 -0.0108 -0.0343 0.0124 422 ARG B CZ +7705 N NH1 . ARG B 421 ? 0.9644 0.8546 0.8288 -0.0098 -0.0348 0.0131 422 ARG B NH1 +7706 N NH2 . ARG B 421 ? 0.9362 0.8207 0.7938 -0.0105 -0.0332 0.0126 422 ARG B NH2 +7707 N N . LYS B 422 ? 0.7324 0.6487 0.6227 -0.0096 -0.0456 0.0088 423 LYS B N +7708 C CA . LYS B 422 ? 0.7247 0.6462 0.6210 -0.0098 -0.0461 0.0087 423 LYS B CA +7709 C C . LYS B 422 ? 0.6673 0.5933 0.5675 -0.0102 -0.0485 0.0073 423 LYS B C +7710 O O . LYS B 422 ? 0.7079 0.6385 0.6139 -0.0114 -0.0484 0.0071 423 LYS B O +7711 C CB . LYS B 422 ? 0.6808 0.6021 0.5756 -0.0074 -0.0468 0.0094 423 LYS B CB +7712 C CG . LYS B 422 ? 0.6843 0.6014 0.5757 -0.0072 -0.0444 0.0107 423 LYS B CG +7713 C CD . LYS B 422 ? 0.7777 0.6952 0.6720 -0.0097 -0.0418 0.0112 423 LYS B CD +7714 C CE . LYS B 422 ? 0.8503 0.7645 0.7423 -0.0096 -0.0394 0.0125 423 LYS B CE +7715 N NZ . LYS B 422 ? 0.8996 0.8134 0.7931 -0.0119 -0.0370 0.0128 423 LYS B NZ +7716 N N . ALA B 423 ? 0.6538 0.5784 0.5507 -0.0093 -0.0506 0.0064 424 ALA B N +7717 C CA . ALA B 423 ? 0.6665 0.5953 0.5669 -0.0096 -0.0532 0.0049 424 ALA B CA +7718 C C . ALA B 423 ? 0.6513 0.5819 0.5555 -0.0124 -0.0524 0.0043 424 ALA B C +7719 O O . ALA B 423 ? 0.6395 0.5744 0.5481 -0.0133 -0.0541 0.0031 424 ALA B O +7720 C CB . ALA B 423 ? 0.5790 0.5053 0.4743 -0.0079 -0.0557 0.0041 424 ALA B CB +7721 N N . ILE B 424 ? 0.6801 0.6075 0.5828 -0.0139 -0.0500 0.0049 425 ILE B N +7722 C CA . ILE B 424 ? 0.7230 0.6520 0.6294 -0.0164 -0.0492 0.0044 425 ILE B CA +7723 C C . ILE B 424 ? 0.6429 0.5765 0.5556 -0.0175 -0.0484 0.0047 425 ILE B C +7724 O O . ILE B 424 ? 0.6978 0.6339 0.6144 -0.0195 -0.0483 0.0040 425 ILE B O +7725 C CB . ILE B 424 ? 0.7123 0.6371 0.6158 -0.0175 -0.0468 0.0049 425 ILE B CB +7726 C CG1 . ILE B 424 ? 0.8001 0.7240 0.7041 -0.0176 -0.0441 0.0064 425 ILE B CG1 +7727 C CG2 . ILE B 424 ? 0.6357 0.5556 0.5326 -0.0163 -0.0472 0.0046 425 ILE B CG2 +7728 C CD1 . ILE B 424 ? 0.8379 0.7583 0.7398 -0.0187 -0.0417 0.0068 425 ILE B CD1 +7729 N N . PHE B 425 ? 0.6608 0.5956 0.5744 -0.0164 -0.0478 0.0056 426 PHE B N +7730 C CA . PHE B 425 ? 0.6788 0.6180 0.5981 -0.0172 -0.0470 0.0059 426 PHE B CA +7731 C C . PHE B 425 ? 0.6520 0.5963 0.5752 -0.0166 -0.0492 0.0050 426 PHE B C +7732 O O . PHE B 425 ? 0.7045 0.6526 0.6323 -0.0171 -0.0486 0.0053 426 PHE B O +7733 C CB . PHE B 425 ? 0.6494 0.5873 0.5679 -0.0163 -0.0451 0.0074 426 PHE B CB +7734 C CG . PHE B 425 ? 0.6692 0.6025 0.5842 -0.0168 -0.0428 0.0083 426 PHE B CG +7735 C CD1 . PHE B 425 ? 0.7115 0.6438 0.6271 -0.0188 -0.0416 0.0081 426 PHE B CD1 +7736 C CD2 . PHE B 425 ? 0.6535 0.5836 0.5647 -0.0154 -0.0418 0.0093 426 PHE B CD2 +7737 C CE1 . PHE B 425 ? 0.6917 0.6202 0.6044 -0.0192 -0.0395 0.0088 426 PHE B CE1 +7738 C CE2 . PHE B 425 ? 0.7104 0.6366 0.6187 -0.0161 -0.0396 0.0100 426 PHE B CE2 +7739 C CZ . PHE B 425 ? 0.6711 0.5967 0.5803 -0.0179 -0.0385 0.0098 426 PHE B CZ +7740 N N . GLY B 426 ? 0.6327 0.5772 0.5542 -0.0155 -0.0518 0.0039 427 GLY B N +7741 C CA . GLY B 426 ? 0.6555 0.6050 0.5805 -0.0145 -0.0541 0.0029 427 GLY B CA +7742 C C . GLY B 426 ? 0.7751 0.7241 0.6975 -0.0114 -0.0551 0.0034 427 GLY B C +7743 O O . GLY B 426 ? 0.6828 0.6269 0.5992 -0.0099 -0.0551 0.0040 427 GLY B O +7744 N N . GLU B 427 ? 0.6726 0.6265 0.5993 -0.0105 -0.0560 0.0031 428 GLU B N +7745 C CA . GLU B 427 ? 0.6692 0.6229 0.5937 -0.0074 -0.0570 0.0035 428 GLU B CA +7746 C C . GLU B 427 ? 0.7803 0.7295 0.7012 -0.0068 -0.0545 0.0052 428 GLU B C +7747 O O . GLU B 427 ? 0.6685 0.6172 0.5911 -0.0086 -0.0520 0.0061 428 GLU B O +7748 C CB . GLU B 427 ? 0.6154 0.5756 0.5458 -0.0067 -0.0580 0.0029 428 GLU B CB +7749 C CG . GLU B 427 ? 0.6930 0.6577 0.6263 -0.0065 -0.0611 0.0011 428 GLU B CG +7750 C CD . GLU B 427 ? 0.7665 0.7282 0.6942 -0.0040 -0.0638 0.0005 428 GLU B CD +7751 O OE1 . GLU B 427 ? 0.7550 0.7129 0.6778 -0.0014 -0.0638 0.0014 428 GLU B OE1 +7752 O OE2 . GLU B 427 ? 0.7419 0.7048 0.6699 -0.0046 -0.0660 -0.0009 428 GLU B OE2 +7753 N N . ILE B 428 ? 0.7257 0.6715 0.6415 -0.0041 -0.0553 0.0057 429 ILE B N +7754 C CA . ILE B 428 ? 0.7041 0.6445 0.6152 -0.0034 -0.0532 0.0072 429 ILE B CA +7755 C C . ILE B 428 ? 0.7248 0.6668 0.6372 -0.0016 -0.0528 0.0079 429 ILE B C +7756 O O . ILE B 428 ? 0.7704 0.7149 0.6835 0.0007 -0.0549 0.0073 429 ILE B O +7757 C CB . ILE B 428 ? 0.7398 0.6744 0.6435 -0.0018 -0.0540 0.0074 429 ILE B CB +7758 C CG1 . ILE B 428 ? 0.6504 0.5834 0.5528 -0.0037 -0.0542 0.0067 429 ILE B CG1 +7759 C CG2 . ILE B 428 ? 0.6466 0.5757 0.5454 -0.0011 -0.0518 0.0090 429 ILE B CG2 +7760 C CD1 . ILE B 428 ? 0.7836 0.7113 0.6788 -0.0022 -0.0554 0.0066 429 ILE B CD1 +7761 N N . PHE B 429 ? 0.7032 0.6437 0.6159 -0.0026 -0.0501 0.0090 430 PHE B N +7762 C CA . PHE B 429 ? 0.6718 0.6136 0.5859 -0.0012 -0.0495 0.0096 430 PHE B CA +7763 C C . PHE B 429 ? 0.6642 0.6001 0.5730 -0.0005 -0.0477 0.0110 430 PHE B C +7764 O O . PHE B 429 ? 0.6801 0.6117 0.5857 -0.0019 -0.0462 0.0115 430 PHE B O +7765 C CB . PHE B 429 ? 0.6537 0.6005 0.5745 -0.0031 -0.0481 0.0096 430 PHE B CB +7766 C CG . PHE B 429 ? 0.6553 0.6085 0.5816 -0.0032 -0.0499 0.0083 430 PHE B CG +7767 C CD1 . PHE B 429 ? 0.5828 0.5376 0.5108 -0.0049 -0.0510 0.0073 430 PHE B CD1 +7768 C CD2 . PHE B 429 ? 0.7148 0.6722 0.6442 -0.0014 -0.0508 0.0079 430 PHE B CD2 +7769 C CE1 . PHE B 429 ? 0.7310 0.6916 0.6639 -0.0051 -0.0528 0.0060 430 PHE B CE1 +7770 C CE2 . PHE B 429 ? 0.5594 0.5229 0.4940 -0.0015 -0.0526 0.0066 430 PHE B CE2 +7771 C CZ . PHE B 429 ? 0.6384 0.6035 0.5748 -0.0034 -0.0536 0.0056 430 PHE B CZ +7772 N N . GLU B 430 ? 0.7099 0.6454 0.6178 0.0017 -0.0478 0.0114 431 GLU B N +7773 C CA . GLU B 430 ? 0.6772 0.6076 0.5810 0.0021 -0.0458 0.0127 431 GLU B CA +7774 C C . GLU B 430 ? 0.6801 0.6128 0.5881 0.0004 -0.0437 0.0131 431 GLU B C +7775 O O . GLU B 430 ? 0.7190 0.6569 0.6320 0.0007 -0.0441 0.0127 431 GLU B O +7776 C CB . GLU B 430 ? 0.7058 0.6339 0.6057 0.0054 -0.0471 0.0129 431 GLU B CB +7777 C CG . GLU B 430 ? 0.9118 0.8350 0.8079 0.0059 -0.0451 0.0141 431 GLU B CG +7778 C CD . GLU B 430 ? 1.0707 0.9872 0.9607 0.0050 -0.0438 0.0149 431 GLU B CD +7779 O OE1 . GLU B 430 ? 1.1698 1.0846 1.0570 0.0051 -0.0449 0.0146 431 GLU B OE1 +7780 O OE2 . GLU B 430 ? 1.3411 1.2541 1.2292 0.0041 -0.0416 0.0158 431 GLU B OE2 +7781 N N . PHE B 431 ? 0.7207 0.6498 0.6268 -0.0013 -0.0414 0.0140 432 PHE B N +7782 C CA . PHE B 431 ? 0.7592 0.6900 0.6689 -0.0030 -0.0394 0.0144 432 PHE B CA +7783 C C . PHE B 431 ? 0.8541 0.7804 0.7601 -0.0025 -0.0378 0.0154 432 PHE B C +7784 O O . PHE B 431 ? 0.7716 0.6927 0.6724 -0.0024 -0.0372 0.0159 432 PHE B O +7785 C CB . PHE B 431 ? 0.7239 0.6552 0.6356 -0.0059 -0.0381 0.0144 432 PHE B CB +7786 C CG . PHE B 431 ? 0.7520 0.6879 0.6681 -0.0070 -0.0393 0.0134 432 PHE B CG +7787 C CD1 . PHE B 431 ? 0.6645 0.5997 0.5789 -0.0070 -0.0407 0.0128 432 PHE B CD1 +7788 C CD2 . PHE B 431 ? 0.7433 0.6840 0.6649 -0.0081 -0.0388 0.0132 432 PHE B CD2 +7789 C CE1 . PHE B 431 ? 0.7508 0.6901 0.6691 -0.0081 -0.0419 0.0118 432 PHE B CE1 +7790 C CE2 . PHE B 431 ? 0.7224 0.6673 0.6481 -0.0094 -0.0398 0.0122 432 PHE B CE2 +7791 C CZ . PHE B 431 ? 0.6968 0.6409 0.6208 -0.0094 -0.0414 0.0115 432 PHE B CZ +7792 N N . ASP B 432 ? 0.7139 0.6422 0.6225 -0.0023 -0.0369 0.0157 433 ASP B N +7793 C CA . ASP B 432 ? 0.6367 0.5612 0.5428 -0.0026 -0.0351 0.0165 433 ASP B CA +7794 C C . ASP B 432 ? 0.7094 0.6341 0.6176 -0.0055 -0.0332 0.0168 433 ASP B C +7795 O O . ASP B 432 ? 0.7443 0.6731 0.6572 -0.0067 -0.0328 0.0165 433 ASP B O +7796 C CB . ASP B 432 ? 0.6009 0.5274 0.5088 -0.0010 -0.0351 0.0166 433 ASP B CB +7797 C CG . ASP B 432 ? 0.7066 0.6305 0.6134 -0.0018 -0.0331 0.0173 433 ASP B CG +7798 O OD1 . ASP B 432 ? 0.6906 0.6105 0.5947 -0.0033 -0.0318 0.0178 433 ASP B OD1 +7799 O OD2 . ASP B 432 ? 0.7483 0.6742 0.6572 -0.0009 -0.0329 0.0173 433 ASP B OD2 +7800 N N . THR B 433 ? 0.6945 0.6149 0.5991 -0.0066 -0.0321 0.0172 434 THR B N +7801 C CA . THR B 433 ? 0.7655 0.6857 0.6717 -0.0091 -0.0304 0.0174 434 THR B CA +7802 C C . THR B 433 ? 0.7399 0.6574 0.6446 -0.0096 -0.0287 0.0180 434 THR B C +7803 O O . THR B 433 ? 0.7086 0.6262 0.6148 -0.0116 -0.0273 0.0181 434 THR B O +7804 C CB . THR B 433 ? 0.7415 0.6592 0.6452 -0.0102 -0.0301 0.0173 434 THR B CB +7805 O OG1 . THR B 433 ? 0.9170 0.8293 0.8150 -0.0094 -0.0296 0.0178 434 THR B OG1 +7806 C CG2 . THR B 433 ? 0.7346 0.6545 0.6391 -0.0096 -0.0319 0.0166 434 THR B CG2 +7807 N N A GLU B 434 ? 0.7483 0.6633 0.6501 -0.0079 -0.0288 0.0183 435 GLU B N +7808 N N B GLU B 434 ? 0.7480 0.6631 0.6499 -0.0079 -0.0288 0.0184 435 GLU B N +7809 C CA A GLU B 434 ? 0.7327 0.6445 0.6326 -0.0084 -0.0273 0.0189 435 GLU B CA +7810 C CA B GLU B 434 ? 0.7333 0.6451 0.6331 -0.0084 -0.0273 0.0189 435 GLU B CA +7811 C C A GLU B 434 ? 0.7587 0.6734 0.6621 -0.0086 -0.0268 0.0189 435 GLU B C +7812 C C B GLU B 434 ? 0.7594 0.6741 0.6627 -0.0085 -0.0268 0.0189 435 GLU B C +7813 O O A GLU B 434 ? 0.7546 0.6685 0.6586 -0.0101 -0.0254 0.0191 435 GLU B O +7814 O O B GLU B 434 ? 0.7547 0.6684 0.6584 -0.0100 -0.0254 0.0191 435 GLU B O +7815 C CB A GLU B 434 ? 0.8458 0.7526 0.7402 -0.0065 -0.0275 0.0193 435 GLU B CB +7816 C CB B GLU B 434 ? 0.8457 0.7524 0.7399 -0.0064 -0.0276 0.0193 435 GLU B CB +7817 C CG A GLU B 434 ? 0.9938 0.8952 0.8840 -0.0078 -0.0259 0.0198 435 GLU B CG +7818 C CG B GLU B 434 ? 0.8486 0.7512 0.7401 -0.0071 -0.0260 0.0198 435 GLU B CG +7819 C CD A GLU B 434 ? 0.9482 0.8483 0.8369 -0.0091 -0.0255 0.0197 435 GLU B CD +7820 C CD B GLU B 434 ? 1.2096 1.1067 1.0952 -0.0051 -0.0262 0.0202 435 GLU B CD +7821 O OE1 A GLU B 434 ? 1.2767 1.1769 1.1641 -0.0078 -0.0269 0.0195 435 GLU B OE1 +7822 O OE1 B GLU B 434 ? 1.1702 1.0645 1.0521 -0.0044 -0.0268 0.0204 435 GLU B OE1 +7823 O OE2 A GLU B 434 ? 1.1363 1.0355 1.0254 -0.0113 -0.0239 0.0198 435 GLU B OE2 +7824 O OE2 B GLU B 434 ? 1.1577 1.0531 1.0422 -0.0044 -0.0258 0.0204 435 GLU B OE2 +7825 N N . THR B 435 ? 0.7114 0.6297 0.6173 -0.0070 -0.0280 0.0186 436 THR B N +7826 C CA . THR B 435 ? 0.6463 0.5669 0.5549 -0.0068 -0.0275 0.0186 436 THR B CA +7827 C C . THR B 435 ? 0.7999 0.7228 0.7120 -0.0091 -0.0263 0.0186 436 THR B C +7828 O O . THR B 435 ? 0.7655 0.6878 0.6779 -0.0097 -0.0253 0.0188 436 THR B O +7829 C CB . THR B 435 ? 0.6934 0.6184 0.6049 -0.0049 -0.0288 0.0181 436 THR B CB +7830 O OG1 . THR B 435 ? 0.7478 0.6705 0.6558 -0.0024 -0.0300 0.0181 436 THR B OG1 +7831 C CG2 . THR B 435 ? 0.6055 0.5333 0.5201 -0.0048 -0.0281 0.0181 436 THR B CG2 +7832 N N . LEU B 436 ? 0.7369 0.6624 0.6516 -0.0105 -0.0265 0.0183 437 LEU B N +7833 C CA . LEU B 436 ? 0.7182 0.6457 0.6361 -0.0125 -0.0256 0.0183 437 LEU B CA +7834 C C . LEU B 436 ? 0.7755 0.7005 0.6920 -0.0143 -0.0247 0.0184 437 LEU B C +7835 O O . LEU B 436 ? 0.7501 0.6768 0.6692 -0.0159 -0.0240 0.0183 437 LEU B O +7836 C CB . LEU B 436 ? 0.7890 0.7212 0.7112 -0.0130 -0.0263 0.0179 437 LEU B CB +7837 C CG . LEU B 436 ? 0.7736 0.7094 0.6982 -0.0115 -0.0271 0.0176 437 LEU B CG +7838 C CD1 . LEU B 436 ? 0.7977 0.7377 0.7264 -0.0126 -0.0276 0.0171 437 LEU B CD1 +7839 C CD2 . LEU B 436 ? 0.7128 0.6492 0.6383 -0.0112 -0.0262 0.0178 437 LEU B CD2 +7840 N N . ASN B 437 ? 0.6860 0.6071 0.5986 -0.0140 -0.0246 0.0186 438 ASN B N +7841 C CA . ASN B 437 ? 0.8402 0.7593 0.7516 -0.0156 -0.0237 0.0186 438 ASN B CA +7842 C C . ASN B 437 ? 0.8317 0.7536 0.7458 -0.0166 -0.0242 0.0182 438 ASN B C +7843 O O . ASN B 437 ? 0.7376 0.6603 0.6535 -0.0182 -0.0234 0.0181 438 ASN B O +7844 C CB . ASN B 437 ? 0.7806 0.6986 0.6923 -0.0171 -0.0222 0.0188 438 ASN B CB +7845 C CG . ASN B 437 ? 0.8960 0.8113 0.8057 -0.0185 -0.0212 0.0188 438 ASN B CG +7846 O OD1 . ASN B 437 ? 1.0963 1.0093 1.0032 -0.0182 -0.0214 0.0188 438 ASN B OD1 +7847 N ND2 . ASN B 437 ? 1.1564 1.0721 1.0677 -0.0201 -0.0201 0.0187 438 ASN B ND2 +7848 N N . SER B 438 ? 0.6638 0.5872 0.5781 -0.0154 -0.0256 0.0179 439 SER B N +7849 C CA . SER B 438 ? 0.7226 0.6485 0.6393 -0.0163 -0.0263 0.0174 439 SER B CA +7850 C C . SER B 438 ? 0.6826 0.6059 0.5972 -0.0174 -0.0256 0.0174 439 SER B C +7851 O O . SER B 438 ? 0.6879 0.6076 0.5986 -0.0170 -0.0251 0.0176 439 SER B O +7852 C CB . SER B 438 ? 0.6806 0.6083 0.5976 -0.0148 -0.0280 0.0170 439 SER B CB +7853 O OG . SER B 438 ? 0.6338 0.5640 0.5528 -0.0137 -0.0285 0.0170 439 SER B OG +7854 N N . ASP B 439 ? 0.6306 0.5557 0.5476 -0.0187 -0.0254 0.0170 440 ASP B N +7855 C CA . ASP B 439 ? 0.6362 0.5592 0.5517 -0.0198 -0.0245 0.0169 440 ASP B CA +7856 C C . ASP B 439 ? 0.6260 0.5488 0.5404 -0.0196 -0.0255 0.0164 440 ASP B C +7857 O O . ASP B 439 ? 0.7366 0.6575 0.6494 -0.0204 -0.0248 0.0163 440 ASP B O +7858 C CB . ASP B 439 ? 0.5959 0.5202 0.5142 -0.0214 -0.0234 0.0169 440 ASP B CB +7859 C CG . ASP B 439 ? 0.6748 0.6027 0.5970 -0.0219 -0.0240 0.0167 440 ASP B CG +7860 O OD1 . ASP B 439 ? 0.6474 0.5767 0.5703 -0.0216 -0.0252 0.0163 440 ASP B OD1 +7861 O OD2 . ASP B 439 ? 0.7027 0.6319 0.6273 -0.0226 -0.0233 0.0168 440 ASP B OD2 +7862 N N . GLY B 440 ? 0.6340 0.5588 0.5493 -0.0187 -0.0272 0.0161 441 GLY B N +7863 C CA . GLY B 440 ? 0.5665 0.4909 0.4805 -0.0184 -0.0284 0.0155 441 GLY B CA +7864 C C . GLY B 440 ? 0.6282 0.5547 0.5450 -0.0197 -0.0286 0.0149 441 GLY B C +7865 O O . GLY B 440 ? 0.6049 0.5307 0.5203 -0.0196 -0.0295 0.0143 441 GLY B O +7866 N N . ILE B 441 ? 0.6376 0.5664 0.5580 -0.0208 -0.0279 0.0150 442 ILE B N +7867 C CA . ILE B 441 ? 0.6233 0.5536 0.5462 -0.0222 -0.0279 0.0145 442 ILE B CA +7868 C C . ILE B 441 ? 0.6056 0.5397 0.5325 -0.0224 -0.0287 0.0143 442 ILE B C +7869 O O . ILE B 441 ? 0.5973 0.5329 0.5259 -0.0222 -0.0283 0.0148 442 ILE B O +7870 C CB . ILE B 441 ? 0.7080 0.6374 0.6315 -0.0233 -0.0262 0.0149 442 ILE B CB +7871 C CG1 . ILE B 441 ? 0.6462 0.5722 0.5662 -0.0232 -0.0252 0.0150 442 ILE B CG1 +7872 C CG2 . ILE B 441 ? 0.6382 0.5687 0.5638 -0.0245 -0.0262 0.0144 442 ILE B CG2 +7873 C CD1 . ILE B 441 ? 0.6933 0.6187 0.6140 -0.0240 -0.0235 0.0153 442 ILE B CD1 +7874 N N . PHE B 442 ? 0.6051 0.5406 0.5333 -0.0230 -0.0298 0.0136 443 PHE B N +7875 C CA . PHE B 442 ? 0.6014 0.5406 0.5333 -0.0233 -0.0306 0.0133 443 PHE B CA +7876 C C . PHE B 442 ? 0.6299 0.5706 0.5648 -0.0245 -0.0294 0.0137 443 PHE B C +7877 O O . PHE B 442 ? 0.5966 0.5359 0.5315 -0.0255 -0.0284 0.0139 443 PHE B O +7878 C CB . PHE B 442 ? 0.5446 0.4848 0.4772 -0.0239 -0.0320 0.0123 443 PHE B CB +7879 C CG . PHE B 442 ? 0.6480 0.5870 0.5777 -0.0226 -0.0336 0.0118 443 PHE B CG +7880 C CD1 . PHE B 442 ? 0.5814 0.5219 0.5109 -0.0210 -0.0347 0.0118 443 PHE B CD1 +7881 C CD2 . PHE B 442 ? 0.5733 0.5097 0.5002 -0.0229 -0.0339 0.0113 443 PHE B CD2 +7882 C CE1 . PHE B 442 ? 0.6289 0.5681 0.5554 -0.0197 -0.0363 0.0113 443 PHE B CE1 +7883 C CE2 . PHE B 442 ? 0.6079 0.5430 0.5317 -0.0216 -0.0355 0.0108 443 PHE B CE2 +7884 C CZ . PHE B 442 ? 0.5903 0.5267 0.5138 -0.0200 -0.0367 0.0108 443 PHE B CZ +7885 N N . ARG B 443 ? 0.5962 0.5398 0.5338 -0.0243 -0.0295 0.0139 444 ARG B N +7886 C CA . ARG B 443 ? 0.6380 0.5833 0.5785 -0.0254 -0.0285 0.0142 444 ARG B CA +7887 C C . ARG B 443 ? 0.6155 0.5641 0.5592 -0.0262 -0.0293 0.0136 444 ARG B C +7888 O O . ARG B 443 ? 0.6753 0.6255 0.6195 -0.0257 -0.0307 0.0130 444 ARG B O +7889 C CB . ARG B 443 ? 0.6553 0.6010 0.5958 -0.0245 -0.0277 0.0150 444 ARG B CB +7890 C CG . ARG B 443 ? 0.6818 0.6245 0.6199 -0.0243 -0.0266 0.0155 444 ARG B CG +7891 C CD . ARG B 443 ? 0.6774 0.6194 0.6140 -0.0231 -0.0263 0.0160 444 ARG B CD +7892 N NE . ARG B 443 ? 0.6280 0.5675 0.5629 -0.0232 -0.0251 0.0165 444 ARG B NE +7893 C CZ . ARG B 443 ? 0.6711 0.6078 0.6031 -0.0230 -0.0249 0.0165 444 ARG B CZ +7894 N NH1 . ARG B 443 ? 0.5758 0.5115 0.5061 -0.0227 -0.0258 0.0160 444 ARG B NH1 +7895 N NH2 . ARG B 443 ? 0.6468 0.5818 0.5777 -0.0232 -0.0239 0.0168 444 ARG B NH2 +7896 N N . THR B 444 ? 0.6157 0.5653 0.5617 -0.0276 -0.0284 0.0139 445 THR B N +7897 C CA . THR B 444 ? 0.5837 0.5365 0.5330 -0.0286 -0.0288 0.0133 445 THR B CA +7898 C C . THR B 444 ? 0.6017 0.5577 0.5533 -0.0279 -0.0285 0.0136 445 THR B C +7899 O O . THR B 444 ? 0.5870 0.5423 0.5376 -0.0268 -0.0278 0.0142 445 THR B O +7900 C CB . THR B 444 ? 0.6326 0.5846 0.5831 -0.0305 -0.0280 0.0134 445 THR B CB +7901 O OG1 . THR B 444 ? 0.6592 0.6139 0.6125 -0.0318 -0.0285 0.0127 445 THR B OG1 +7902 C CG2 . THR B 444 ? 0.5603 0.5118 0.5111 -0.0307 -0.0264 0.0143 445 THR B CG2 +7903 N N . SER B 445 ? 0.5802 0.5397 0.5350 -0.0286 -0.0291 0.0129 446 SER B N +7904 C CA . SER B 445 ? 0.5733 0.5364 0.5308 -0.0280 -0.0288 0.0130 446 SER B CA +7905 C C . SER B 445 ? 0.6687 0.6327 0.6283 -0.0295 -0.0271 0.0135 446 SER B C +7906 O O . SER B 445 ? 0.5830 0.5447 0.5419 -0.0309 -0.0263 0.0139 446 SER B O +7907 C CB . SER B 445 ? 0.6194 0.5863 0.5796 -0.0280 -0.0304 0.0119 446 SER B CB +7908 O OG . SER B 445 ? 0.5708 0.5389 0.5333 -0.0302 -0.0304 0.0113 446 SER B OG +7909 N N . PRO B 446 ? 0.6292 0.5963 0.5911 -0.0290 -0.0264 0.0137 447 PRO B N +7910 C CA . PRO B 446 ? 0.5474 0.5155 0.5113 -0.0305 -0.0248 0.0141 447 PRO B CA +7911 C C . PRO B 446 ? 0.6860 0.6549 0.6520 -0.0329 -0.0247 0.0136 447 PRO B C +7912 O O . PRO B 446 ? 0.6359 0.6035 0.6020 -0.0343 -0.0233 0.0142 447 PRO B O +7913 C CB . PRO B 446 ? 0.6480 0.6200 0.6143 -0.0295 -0.0244 0.0141 447 PRO B CB +7914 C CG . PRO B 446 ? 0.6208 0.5919 0.5848 -0.0270 -0.0253 0.0141 447 PRO B CG +7915 C CD . PRO B 446 ? 0.6226 0.5916 0.5846 -0.0269 -0.0269 0.0136 447 PRO B CD +7916 N N . ARG B 447 ? 0.5354 0.5063 0.5030 -0.0333 -0.0263 0.0125 448 ARG B N +7917 C CA . ARG B 447 ? 0.5684 0.5395 0.5377 -0.0356 -0.0264 0.0119 448 ARG B CA +7918 C C . ARG B 447 ? 0.6026 0.5688 0.5688 -0.0365 -0.0259 0.0124 448 ARG B C +7919 O O . ARG B 447 ? 0.6477 0.6129 0.6145 -0.0384 -0.0249 0.0126 448 ARG B O +7920 C CB . ARG B 447 ? 0.6251 0.5987 0.5960 -0.0357 -0.0285 0.0105 448 ARG B CB +7921 C CG . ARG B 447 ? 0.5579 0.5323 0.5311 -0.0384 -0.0286 0.0097 448 ARG B CG +7922 C CD . ARG B 447 ? 0.5579 0.5351 0.5329 -0.0386 -0.0308 0.0082 448 ARG B CD +7923 N NE . ARG B 447 ? 0.6147 0.5971 0.5929 -0.0374 -0.0316 0.0076 448 ARG B NE +7924 C CZ . ARG B 447 ? 0.6125 0.5996 0.5953 -0.0387 -0.0310 0.0070 448 ARG B CZ +7925 N NH1 . ARG B 447 ? 0.5872 0.5743 0.5719 -0.0414 -0.0297 0.0070 448 ARG B NH1 +7926 N NH2 . ARG B 447 ? 0.5729 0.5648 0.5585 -0.0372 -0.0318 0.0064 448 ARG B NH2 +7927 N N . GLY B 448 ? 0.6490 0.6123 0.6119 -0.0351 -0.0267 0.0126 449 GLY B N +7928 C CA . GLY B 448 ? 0.5237 0.4826 0.4838 -0.0357 -0.0263 0.0129 449 GLY B CA +7929 C C . GLY B 448 ? 0.5924 0.5495 0.5517 -0.0359 -0.0245 0.0141 449 GLY B C +7930 O O . GLY B 448 ? 0.5828 0.5377 0.5416 -0.0373 -0.0237 0.0143 449 GLY B O +7931 N N . TRP B 449 ? 0.5575 0.5152 0.5163 -0.0345 -0.0239 0.0148 450 TRP B N +7932 C CA . TRP B 449 ? 0.5210 0.4767 0.4786 -0.0345 -0.0224 0.0158 450 TRP B CA +7933 C C . TRP B 449 ? 0.6495 0.6064 0.6092 -0.0361 -0.0211 0.0161 450 TRP B C +7934 O O . TRP B 449 ? 0.6198 0.5740 0.5782 -0.0369 -0.0201 0.0167 450 TRP B O +7935 C CB . TRP B 449 ? 0.4685 0.4247 0.4252 -0.0326 -0.0220 0.0163 450 TRP B CB +7936 C CG . TRP B 449 ? 0.5983 0.5521 0.5522 -0.0313 -0.0227 0.0164 450 TRP B CG +7937 C CD1 . TRP B 449 ? 0.5291 0.4835 0.4823 -0.0299 -0.0237 0.0161 450 TRP B CD1 +7938 C CD2 . TRP B 449 ? 0.6065 0.5568 0.5580 -0.0313 -0.0225 0.0167 450 TRP B CD2 +7939 N NE1 . TRP B 449 ? 0.5718 0.5233 0.5222 -0.0292 -0.0239 0.0162 450 TRP B NE1 +7940 C CE2 . TRP B 449 ? 0.6330 0.5822 0.5825 -0.0301 -0.0232 0.0165 450 TRP B CE2 +7941 C CE3 . TRP B 449 ? 0.6092 0.5573 0.5601 -0.0323 -0.0218 0.0171 450 TRP B CE3 +7942 C CZ2 . TRP B 449 ? 0.5306 0.4769 0.4779 -0.0298 -0.0230 0.0167 450 TRP B CZ2 +7943 C CZ3 . TRP B 449 ? 0.7251 0.6705 0.6738 -0.0318 -0.0218 0.0172 450 TRP B CZ3 +7944 C CH2 . TRP B 449 ? 0.6256 0.5703 0.5727 -0.0307 -0.0224 0.0170 450 TRP B CH2 +7945 N N . PHE B 450 ? 0.5479 0.5085 0.5106 -0.0366 -0.0211 0.0156 451 PHE B N +7946 C CA . PHE B 450 ? 0.5244 0.4861 0.4890 -0.0384 -0.0197 0.0159 451 PHE B CA +7947 C C . PHE B 450 ? 0.5667 0.5258 0.5309 -0.0404 -0.0196 0.0157 451 PHE B C +7948 O O . PHE B 450 ? 0.6216 0.5784 0.5848 -0.0414 -0.0182 0.0164 451 PHE B O +7949 C CB . PHE B 450 ? 0.5853 0.5520 0.5538 -0.0388 -0.0198 0.0151 451 PHE B CB +7950 C CG . PHE B 450 ? 0.6330 0.6009 0.6036 -0.0408 -0.0181 0.0154 451 PHE B CG +7951 C CD1 . PHE B 450 ? 0.5553 0.5226 0.5270 -0.0432 -0.0180 0.0149 451 PHE B CD1 +7952 C CD2 . PHE B 450 ? 0.5537 0.5230 0.5249 -0.0403 -0.0165 0.0161 451 PHE B CD2 +7953 C CE1 . PHE B 450 ? 0.6279 0.5959 0.6013 -0.0452 -0.0163 0.0152 451 PHE B CE1 +7954 C CE2 . PHE B 450 ? 0.6319 0.6020 0.6047 -0.0422 -0.0147 0.0164 451 PHE B CE2 +7955 C CZ . PHE B 450 ? 0.5576 0.5270 0.5315 -0.0448 -0.0145 0.0160 451 PHE B CZ +7956 N N . THR B 451 ? 0.5839 0.5432 0.5484 -0.0408 -0.0211 0.0147 452 THR B N +7957 C CA . THR B 451 ? 0.6661 0.6231 0.6303 -0.0427 -0.0212 0.0143 452 THR B CA +7958 C C . THR B 451 ? 0.6030 0.5550 0.5636 -0.0424 -0.0206 0.0151 452 THR B C +7959 O O . THR B 451 ? 0.6259 0.5755 0.5859 -0.0439 -0.0197 0.0154 452 THR B O +7960 C CB . THR B 451 ? 0.5617 0.5197 0.5265 -0.0429 -0.0231 0.0130 452 THR B CB +7961 O OG1 . THR B 451 ? 0.6108 0.5737 0.5791 -0.0430 -0.0236 0.0123 452 THR B OG1 +7962 C CG2 . THR B 451 ? 0.5299 0.4854 0.4942 -0.0449 -0.0233 0.0125 452 THR B CG2 +7963 N N . PHE B 452 ? 0.5898 0.5403 0.5481 -0.0406 -0.0212 0.0153 453 PHE B N +7964 C CA . PHE B 452 ? 0.6504 0.5968 0.6058 -0.0401 -0.0208 0.0160 453 PHE B CA +7965 C C . PHE B 452 ? 0.5754 0.5206 0.5301 -0.0402 -0.0192 0.0171 453 PHE B C +7966 O O . PHE B 452 ? 0.6032 0.5453 0.5566 -0.0410 -0.0185 0.0175 453 PHE B O +7967 C CB . PHE B 452 ? 0.6458 0.5916 0.5994 -0.0381 -0.0215 0.0160 453 PHE B CB +7968 C CG . PHE B 452 ? 0.5493 0.4916 0.5003 -0.0373 -0.0210 0.0166 453 PHE B CG +7969 C CD1 . PHE B 452 ? 0.5715 0.5108 0.5210 -0.0378 -0.0212 0.0164 453 PHE B CD1 +7970 C CD2 . PHE B 452 ? 0.6069 0.5493 0.5571 -0.0360 -0.0205 0.0173 453 PHE B CD2 +7971 C CE1 . PHE B 452 ? 0.6108 0.5474 0.5583 -0.0370 -0.0208 0.0168 453 PHE B CE1 +7972 C CE2 . PHE B 452 ? 0.6934 0.6330 0.6415 -0.0353 -0.0201 0.0178 453 PHE B CE2 +7973 C CZ . PHE B 452 ? 0.5857 0.5225 0.5325 -0.0357 -0.0203 0.0175 453 PHE B CZ +7974 N N . ALA B 453 ? 0.5963 0.5437 0.5518 -0.0393 -0.0186 0.0176 454 ALA B N +7975 C CA . ALA B 453 ? 0.5977 0.5437 0.5522 -0.0393 -0.0172 0.0186 454 ALA B CA +7976 C C . ALA B 453 ? 0.6338 0.5792 0.5892 -0.0413 -0.0161 0.0188 454 ALA B C +7977 O O . ALA B 453 ? 0.6947 0.6369 0.6481 -0.0417 -0.0152 0.0195 454 ALA B O +7978 C CB . ALA B 453 ? 0.5142 0.4628 0.4695 -0.0381 -0.0167 0.0190 454 ALA B CB +7979 N N . HIS B 454 ? 0.6237 0.5721 0.5819 -0.0427 -0.0162 0.0181 455 HIS B N +7980 C CA . HIS B 454 ? 0.6427 0.5906 0.6018 -0.0449 -0.0148 0.0183 455 HIS B CA +7981 C C . HIS B 454 ? 0.5650 0.5092 0.5227 -0.0463 -0.0151 0.0181 455 HIS B C +7982 O O . HIS B 454 ? 0.6515 0.5929 0.6079 -0.0475 -0.0138 0.0187 455 HIS B O +7983 C CB . HIS B 454 ? 0.5373 0.4900 0.5003 -0.0460 -0.0146 0.0177 455 HIS B CB +7984 C CG . HIS B 454 ? 0.6604 0.6157 0.6243 -0.0449 -0.0136 0.0182 455 HIS B CG +7985 N ND1 . HIS B 454 ? 0.5994 0.5568 0.5634 -0.0427 -0.0145 0.0180 455 HIS B ND1 +7986 C CD2 . HIS B 454 ? 0.6449 0.6004 0.6089 -0.0454 -0.0117 0.0190 455 HIS B CD2 +7987 C CE1 . HIS B 454 ? 0.6410 0.6000 0.6055 -0.0420 -0.0133 0.0186 455 HIS B CE1 +7988 N NE2 . HIS B 454 ? 0.6162 0.5743 0.5807 -0.0436 -0.0115 0.0192 455 HIS B NE2 +7989 N N . ALA B 455 ? 0.5495 0.4932 0.5069 -0.0461 -0.0166 0.0172 456 ALA B N +7990 C CA . ALA B 455 ? 0.6310 0.5707 0.5866 -0.0472 -0.0168 0.0170 456 ALA B CA +7991 C C . ALA B 455 ? 0.5762 0.5115 0.5283 -0.0460 -0.0163 0.0180 456 ALA B C +7992 O O . ALA B 455 ? 0.6805 0.6120 0.6307 -0.0470 -0.0156 0.0183 456 ALA B O +7993 C CB . ALA B 455 ? 0.5324 0.4723 0.4881 -0.0470 -0.0186 0.0158 456 ALA B CB +7994 N N . VAL B 456 ? 0.6164 0.5520 0.5674 -0.0439 -0.0166 0.0184 457 VAL B N +7995 C CA . VAL B 456 ? 0.6382 0.5702 0.5862 -0.0426 -0.0163 0.0192 457 VAL B CA +7996 C C . VAL B 456 ? 0.6588 0.5893 0.6058 -0.0431 -0.0147 0.0203 457 VAL B C +7997 O O . VAL B 456 ? 0.6213 0.5479 0.5659 -0.0433 -0.0142 0.0208 457 VAL B O +7998 C CB . VAL B 456 ? 0.6585 0.5916 0.6059 -0.0404 -0.0170 0.0192 457 VAL B CB +7999 C CG1 . VAL B 456 ? 0.5839 0.5143 0.5288 -0.0391 -0.0165 0.0201 457 VAL B CG1 +8000 C CG2 . VAL B 456 ? 0.6102 0.5433 0.5575 -0.0399 -0.0183 0.0183 457 VAL B CG2 +8001 N N . PHE B 457 ? 0.6016 0.5352 0.5504 -0.0433 -0.0139 0.0206 458 PHE B N +8002 C CA . PHE B 457 ? 0.6216 0.5537 0.5691 -0.0438 -0.0123 0.0216 458 PHE B CA +8003 C C . PHE B 457 ? 0.6401 0.5699 0.5874 -0.0461 -0.0113 0.0217 458 PHE B C +8004 O O . PHE B 457 ? 0.6908 0.6168 0.6354 -0.0463 -0.0104 0.0226 458 PHE B O +8005 C CB . PHE B 457 ? 0.6910 0.6269 0.6405 -0.0436 -0.0115 0.0219 458 PHE B CB +8006 C CG . PHE B 457 ? 0.6639 0.6011 0.6128 -0.0413 -0.0121 0.0221 458 PHE B CG +8007 C CD1 . PHE B 457 ? 0.7425 0.6767 0.6885 -0.0397 -0.0126 0.0225 458 PHE B CD1 +8008 C CD2 . PHE B 457 ? 0.6800 0.6212 0.6311 -0.0407 -0.0122 0.0217 458 PHE B CD2 +8009 C CE1 . PHE B 457 ? 0.8054 0.7407 0.7510 -0.0379 -0.0132 0.0226 458 PHE B CE1 +8010 C CE2 . PHE B 457 ? 0.6560 0.5979 0.6062 -0.0387 -0.0127 0.0219 458 PHE B CE2 +8011 C CZ . PHE B 457 ? 0.7347 0.6736 0.6822 -0.0374 -0.0132 0.0223 458 PHE B CZ +8012 N N . ALA B 458 ? 0.5933 0.5252 0.5433 -0.0479 -0.0116 0.0208 459 ALA B N +8013 C CA . ALA B 458 ? 0.6198 0.5495 0.5697 -0.0503 -0.0108 0.0207 459 ALA B CA +8014 C C . ALA B 458 ? 0.6333 0.5573 0.5796 -0.0501 -0.0110 0.0210 459 ALA B C +8015 O O . ALA B 458 ? 0.6375 0.5577 0.5816 -0.0512 -0.0098 0.0217 459 ALA B O +8016 C CB . ALA B 458 ? 0.5753 0.5084 0.5287 -0.0521 -0.0116 0.0193 459 ALA B CB +8017 N N . LEU B 459 ? 0.5410 0.4643 0.4865 -0.0487 -0.0126 0.0204 460 LEU B N +8018 C CA . LEU B 459 ? 0.5849 0.5031 0.5271 -0.0482 -0.0130 0.0205 460 LEU B CA +8019 C C . LEU B 459 ? 0.6340 0.5489 0.5730 -0.0467 -0.0122 0.0218 460 LEU B C +8020 O O . LEU B 459 ? 0.7080 0.6182 0.6442 -0.0471 -0.0116 0.0223 460 LEU B O +8021 C CB . LEU B 459 ? 0.5307 0.4493 0.4729 -0.0468 -0.0147 0.0196 460 LEU B CB +8022 C CG . LEU B 459 ? 0.7758 0.6897 0.7153 -0.0465 -0.0152 0.0193 460 LEU B CG +8023 C CD1 . LEU B 459 ? 0.7437 0.6558 0.6834 -0.0491 -0.0149 0.0187 460 LEU B CD1 +8024 C CD2 . LEU B 459 ? 0.7582 0.6731 0.6978 -0.0449 -0.0166 0.0184 460 LEU B CD2 +8025 N N . LEU B 460 ? 0.6251 0.5423 0.5644 -0.0449 -0.0123 0.0223 461 LEU B N +8026 C CA . LEU B 460 ? 0.6276 0.5420 0.5639 -0.0434 -0.0117 0.0234 461 LEU B CA +8027 C C . LEU B 460 ? 0.6729 0.5852 0.6078 -0.0448 -0.0100 0.0244 461 LEU B C +8028 O O . LEU B 460 ? 0.7079 0.6160 0.6394 -0.0441 -0.0095 0.0253 461 LEU B O +8029 C CB . LEU B 460 ? 0.6667 0.5841 0.6036 -0.0414 -0.0122 0.0236 461 LEU B CB +8030 C CG . LEU B 460 ? 0.7991 0.7180 0.7367 -0.0397 -0.0137 0.0228 461 LEU B CG +8031 C CD1 . LEU B 460 ? 0.6417 0.5635 0.5800 -0.0382 -0.0140 0.0230 461 LEU B CD1 +8032 C CD2 . LEU B 460 ? 0.6544 0.5693 0.5893 -0.0385 -0.0144 0.0229 461 LEU B CD2 +8033 N N . PHE B 461 ? 0.6373 0.5527 0.5748 -0.0466 -0.0090 0.0243 462 PHE B N +8034 C CA . PHE B 461 ? 0.6622 0.5759 0.5986 -0.0481 -0.0070 0.0252 462 PHE B CA +8035 C C . PHE B 461 ? 0.6456 0.5547 0.5801 -0.0500 -0.0064 0.0253 462 PHE B C +8036 O O . PHE B 461 ? 0.6636 0.5688 0.5952 -0.0506 -0.0049 0.0264 462 PHE B O +8037 C CB . PHE B 461 ? 0.5538 0.4725 0.4939 -0.0494 -0.0061 0.0249 462 PHE B CB +8038 C CG . PHE B 461 ? 0.6177 0.5388 0.5577 -0.0477 -0.0056 0.0255 462 PHE B CG +8039 C CD1 . PHE B 461 ? 0.5776 0.5005 0.5178 -0.0454 -0.0071 0.0252 462 PHE B CD1 +8040 C CD2 . PHE B 461 ? 0.6165 0.5378 0.5561 -0.0485 -0.0037 0.0264 462 PHE B CD2 +8041 C CE1 . PHE B 461 ? 0.5651 0.4898 0.5050 -0.0438 -0.0068 0.0257 462 PHE B CE1 +8042 C CE2 . PHE B 461 ? 0.5836 0.5066 0.5227 -0.0468 -0.0033 0.0269 462 PHE B CE2 +8043 C CZ . PHE B 461 ? 0.6648 0.5895 0.6041 -0.0445 -0.0050 0.0266 462 PHE B CZ +8044 N N . PHE B 462 ? 0.6062 0.5150 0.5418 -0.0508 -0.0075 0.0243 463 PHE B N +8045 C CA . PHE B 462 ? 0.6873 0.5909 0.6205 -0.0522 -0.0071 0.0243 463 PHE B CA +8046 C C . PHE B 462 ? 0.7743 0.6722 0.7026 -0.0503 -0.0071 0.0253 463 PHE B C +8047 O O . PHE B 462 ? 0.7441 0.6372 0.6694 -0.0514 -0.0059 0.0261 463 PHE B O +8048 C CB . PHE B 462 ? 0.6010 0.5050 0.5356 -0.0527 -0.0087 0.0229 463 PHE B CB +8049 C CG . PHE B 462 ? 0.6687 0.5667 0.6001 -0.0535 -0.0086 0.0229 463 PHE B CG +8050 C CD1 . PHE B 462 ? 0.7785 0.6738 0.7093 -0.0563 -0.0072 0.0231 463 PHE B CD1 +8051 C CD2 . PHE B 462 ? 0.6314 0.5263 0.5602 -0.0514 -0.0099 0.0227 463 PHE B CD2 +8052 C CE1 . PHE B 462 ? 0.7016 0.5907 0.6290 -0.0570 -0.0071 0.0230 463 PHE B CE1 +8053 C CE2 . PHE B 462 ? 0.6985 0.5876 0.6242 -0.0519 -0.0099 0.0227 463 PHE B CE2 +8054 C CZ . PHE B 462 ? 0.8025 0.6885 0.7273 -0.0547 -0.0085 0.0228 463 PHE B CZ +8055 N N . PHE B 463 ? 0.6345 0.5330 0.5621 -0.0475 -0.0084 0.0253 464 PHE B N +8056 C CA . PHE B 463 ? 0.7495 0.6432 0.6727 -0.0455 -0.0086 0.0262 464 PHE B CA +8057 C C . PHE B 463 ? 0.6968 0.5890 0.6179 -0.0454 -0.0071 0.0276 464 PHE B C +8058 O O . PHE B 463 ? 0.7036 0.5904 0.6205 -0.0451 -0.0064 0.0285 464 PHE B O +8059 C CB . PHE B 463 ? 0.6446 0.5398 0.5679 -0.0426 -0.0102 0.0259 464 PHE B CB +8060 C CG . PHE B 463 ? 0.7043 0.5949 0.6235 -0.0404 -0.0106 0.0266 464 PHE B CG +8061 C CD1 . PHE B 463 ? 0.6823 0.5685 0.5991 -0.0399 -0.0112 0.0264 464 PHE B CD1 +8062 C CD2 . PHE B 463 ? 0.6675 0.5579 0.5850 -0.0389 -0.0103 0.0276 464 PHE B CD2 +8063 C CE1 . PHE B 463 ? 0.7272 0.6091 0.6403 -0.0377 -0.0115 0.0271 464 PHE B CE1 +8064 C CE2 . PHE B 463 ? 0.6379 0.5241 0.5515 -0.0368 -0.0108 0.0283 464 PHE B CE2 +8065 C CZ . PHE B 463 ? 0.7274 0.6094 0.6389 -0.0362 -0.0114 0.0280 464 PHE B CZ +8066 N N . GLY B 464 ? 0.5906 0.4873 0.5141 -0.0457 -0.0065 0.0277 465 GLY B N +8067 C CA . GLY B 464 ? 0.6082 0.5036 0.5296 -0.0457 -0.0048 0.0290 465 GLY B CA +8068 C C . GLY B 464 ? 0.7426 0.6343 0.6622 -0.0483 -0.0029 0.0296 465 GLY B C +8069 O O . GLY B 464 ? 0.6743 0.5618 0.5900 -0.0480 -0.0017 0.0309 465 GLY B O +8070 N N . HIS B 465 ? 0.6084 0.5014 0.5308 -0.0509 -0.0025 0.0288 466 HIS B N +8071 C CA . HIS B 465 ? 0.6989 0.5886 0.6200 -0.0538 -0.0005 0.0293 466 HIS B CA +8072 C C . HIS B 465 ? 0.6872 0.5694 0.6033 -0.0534 -0.0006 0.0299 466 HIS B C +8073 O O . HIS B 465 ? 0.6671 0.5445 0.5793 -0.0540 0.0010 0.0311 466 HIS B O +8074 C CB . HIS B 465 ? 0.6065 0.4998 0.5322 -0.0566 -0.0004 0.0280 466 HIS B CB +8075 C CG . HIS B 465 ? 0.7528 0.6421 0.6772 -0.0597 0.0011 0.0281 466 HIS B CG +8076 N ND1 . HIS B 465 ? 0.6973 0.5845 0.6202 -0.0616 0.0036 0.0292 466 HIS B ND1 +8077 C CD2 . HIS B 465 ? 0.6352 0.5220 0.5596 -0.0613 0.0005 0.0273 466 HIS B CD2 +8078 C CE1 . HIS B 465 ? 0.6371 0.5207 0.5592 -0.0644 0.0045 0.0290 466 HIS B CE1 +8079 N NE2 . HIS B 465 ? 0.6708 0.5541 0.5938 -0.0642 0.0026 0.0278 466 HIS B NE2 +8080 N N . ILE B 466 ? 0.6184 0.4993 0.5341 -0.0521 -0.0025 0.0291 467 ILE B N +8081 C CA . ILE B 466 ? 0.6941 0.5682 0.6052 -0.0511 -0.0029 0.0295 467 ILE B CA +8082 C C . ILE B 466 ? 0.7631 0.6335 0.6697 -0.0486 -0.0028 0.0309 467 ILE B C +8083 O O . ILE B 466 ? 0.7298 0.5938 0.6316 -0.0486 -0.0019 0.0319 467 ILE B O +8084 C CB . ILE B 466 ? 0.8426 0.7173 0.7548 -0.0497 -0.0051 0.0283 467 ILE B CB +8085 C CG1 . ILE B 466 ? 0.6957 0.5722 0.6111 -0.0524 -0.0052 0.0270 467 ILE B CG1 +8086 C CG2 . ILE B 466 ? 0.8295 0.6977 0.7367 -0.0477 -0.0057 0.0288 467 ILE B CG2 +8087 C CD1 . ILE B 466 ? 0.7564 0.6293 0.6706 -0.0556 -0.0034 0.0273 467 ILE B CD1 +8088 N N A TRP B 467 ? 0.6855 0.5598 0.5932 -0.0463 -0.0037 0.0309 468 TRP B N +8089 N N B TRP B 467 ? 0.6860 0.5604 0.5938 -0.0463 -0.0037 0.0309 468 TRP B N +8090 C CA A TRP B 467 ? 0.6405 0.5117 0.5441 -0.0436 -0.0039 0.0321 468 TRP B CA +8091 C CA B TRP B 467 ? 0.6394 0.5106 0.5430 -0.0436 -0.0039 0.0321 468 TRP B CA +8092 C C A TRP B 467 ? 0.6918 0.5603 0.5925 -0.0448 -0.0017 0.0334 468 TRP B C +8093 C C B TRP B 467 ? 0.6924 0.5608 0.5930 -0.0448 -0.0017 0.0334 468 TRP B C +8094 O O A TRP B 467 ? 0.7267 0.5891 0.6221 -0.0439 -0.0013 0.0346 468 TRP B O +8095 O O B TRP B 467 ? 0.7283 0.5905 0.6237 -0.0440 -0.0012 0.0346 468 TRP B O +8096 C CB A TRP B 467 ? 0.6240 0.5002 0.5298 -0.0412 -0.0054 0.0316 468 TRP B CB +8097 C CB B TRP B 467 ? 0.6234 0.4996 0.5292 -0.0412 -0.0054 0.0316 468 TRP B CB +8098 C CG A TRP B 467 ? 0.6267 0.5003 0.5285 -0.0387 -0.0056 0.0327 468 TRP B CG +8099 C CG B TRP B 467 ? 0.6256 0.4993 0.5275 -0.0388 -0.0056 0.0327 468 TRP B CG +8100 C CD1 A TRP B 467 ? 0.6470 0.5219 0.5481 -0.0385 -0.0046 0.0335 468 TRP B CD1 +8101 C CD1 B TRP B 467 ? 0.6474 0.5224 0.5486 -0.0386 -0.0045 0.0335 468 TRP B CD1 +8102 C CD2 A TRP B 467 ? 0.6648 0.5340 0.5627 -0.0362 -0.0069 0.0331 468 TRP B CD2 +8103 C CD2 B TRP B 467 ? 0.6638 0.5330 0.5617 -0.0362 -0.0068 0.0331 468 TRP B CD2 +8104 N NE1 A TRP B 467 ? 0.6697 0.5410 0.5665 -0.0360 -0.0053 0.0344 468 TRP B NE1 +8105 N NE1 B TRP B 467 ? 0.6704 0.5417 0.5672 -0.0361 -0.0052 0.0344 468 TRP B NE1 +8106 C CE2 A TRP B 467 ? 0.6764 0.5442 0.5712 -0.0345 -0.0067 0.0341 468 TRP B CE2 +8107 C CE2 B TRP B 467 ? 0.6761 0.5441 0.5710 -0.0345 -0.0066 0.0341 468 TRP B CE2 +8108 C CE3 A TRP B 467 ? 0.6998 0.5659 0.5964 -0.0350 -0.0081 0.0326 468 TRP B CE3 +8109 C CE3 B TRP B 467 ? 0.7005 0.5668 0.5972 -0.0349 -0.0081 0.0326 468 TRP B CE3 +8110 C CZ2 A TRP B 467 ? 0.7286 0.5923 0.6192 -0.0316 -0.0079 0.0346 468 TRP B CZ2 +8111 C CZ2 B TRP B 467 ? 0.7297 0.5937 0.6204 -0.0317 -0.0079 0.0346 468 TRP B CZ2 +8112 C CZ3 A TRP B 467 ? 0.8310 0.6932 0.7236 -0.0321 -0.0092 0.0331 468 TRP B CZ3 +8113 C CZ3 B TRP B 467 ? 0.8344 0.6969 0.7271 -0.0320 -0.0093 0.0331 468 TRP B CZ3 +8114 C CH2 A TRP B 467 ? 0.6824 0.5436 0.5722 -0.0304 -0.0092 0.0341 468 TRP B CH2 +8115 C CH2 B TRP B 467 ? 0.6808 0.5422 0.5706 -0.0304 -0.0092 0.0341 468 TRP B CH2 +8116 N N . HIS B 468 ? 0.6354 0.5082 0.5392 -0.0467 -0.0003 0.0334 469 HIS B N +8117 C CA . HIS B 468 ? 0.6401 0.5108 0.5413 -0.0478 0.0020 0.0347 469 HIS B CA +8118 C C . HIS B 468 ? 0.7180 0.5837 0.6171 -0.0507 0.0039 0.0352 469 HIS B C +8119 O O . HIS B 468 ? 0.7121 0.5726 0.6065 -0.0510 0.0055 0.0365 469 HIS B O +8120 C CB . HIS B 468 ? 0.5929 0.4702 0.4984 -0.0487 0.0028 0.0344 469 HIS B CB +8121 C CG . HIS B 468 ? 0.7213 0.6019 0.6273 -0.0457 0.0014 0.0343 469 HIS B CG +8122 N ND1 . HIS B 468 ? 0.6312 0.5088 0.5328 -0.0436 0.0014 0.0354 469 HIS B ND1 +8123 C CD2 . HIS B 468 ? 0.6577 0.5442 0.5679 -0.0447 -0.0002 0.0332 469 HIS B CD2 +8124 C CE1 . HIS B 468 ? 0.7042 0.5859 0.6075 -0.0414 -0.0001 0.0349 469 HIS B CE1 +8125 N NE2 . HIS B 468 ? 0.6306 0.5175 0.5391 -0.0421 -0.0010 0.0336 469 HIS B NE2 +8126 N N . GLY B 469 ? 0.6594 0.5262 0.5616 -0.0530 0.0037 0.0341 470 GLY B N +8127 C CA . GLY B 469 ? 0.6985 0.5598 0.5983 -0.0556 0.0052 0.0344 470 GLY B CA +8128 C C . GLY B 469 ? 0.7670 0.6202 0.6603 -0.0539 0.0048 0.0354 470 GLY B C +8129 O O . GLY B 469 ? 0.7091 0.5563 0.5980 -0.0551 0.0067 0.0366 470 GLY B O +8130 N N . ALA B 470 ? 0.7344 0.5871 0.6269 -0.0508 0.0024 0.0349 471 ALA B N +8131 C CA . ALA B 470 ? 0.7132 0.5585 0.5997 -0.0486 0.0017 0.0357 471 ALA B CA +8132 C C . ALA B 470 ? 0.7091 0.5509 0.5907 -0.0469 0.0025 0.0373 471 ALA B C +8133 O O . ALA B 470 ? 0.8306 0.6650 0.7065 -0.0467 0.0033 0.0384 471 ALA B O +8134 C CB . ALA B 470 ? 0.6067 0.4535 0.4943 -0.0456 -0.0011 0.0347 471 ALA B CB +8135 N N . ARG B 471 ? 0.7741 0.6210 0.6577 -0.0455 0.0022 0.0374 472 ARG B N +8136 C CA . ARG B 471 ? 0.7003 0.5440 0.5791 -0.0437 0.0028 0.0389 472 ARG B CA +8137 C C . ARG B 471 ? 0.7273 0.5673 0.6033 -0.0465 0.0059 0.0401 472 ARG B C +8138 O O . ARG B 471 ? 0.8258 0.6601 0.6959 -0.0454 0.0067 0.0415 472 ARG B O +8139 C CB . ARG B 471 ? 0.6624 0.5124 0.5440 -0.0420 0.0020 0.0386 472 ARG B CB +8140 C CG . ARG B 471 ? 0.8862 0.7387 0.7691 -0.0388 -0.0008 0.0377 472 ARG B CG +8141 C CD . ARG B 471 ? 0.7428 0.5969 0.6243 -0.0360 -0.0018 0.0382 472 ARG B CD +8142 N NE . ARG B 471 ? 0.7382 0.5924 0.6182 -0.0369 0.0002 0.0392 472 ARG B NE +8143 C CZ . ARG B 471 ? 0.8738 0.7236 0.7482 -0.0353 0.0006 0.0404 472 ARG B CZ +8144 N NH1 . ARG B 471 ? 0.7879 0.6334 0.6581 -0.0324 -0.0012 0.0408 472 ARG B NH1 +8145 N NH2 . ARG B 471 ? 0.7615 0.6112 0.6346 -0.0365 0.0027 0.0413 472 ARG B NH2 +8146 N N . THR B 472 ? 0.7336 0.5770 0.6137 -0.0500 0.0075 0.0395 473 THR B N +8147 C CA . THR B 472 ? 0.8003 0.6406 0.6783 -0.0530 0.0107 0.0406 473 THR B CA +8148 C C . THR B 472 ? 0.7657 0.5972 0.6383 -0.0540 0.0115 0.0413 473 THR B C +8149 O O . THR B 472 ? 0.7792 0.6043 0.6458 -0.0540 0.0131 0.0429 473 THR B O +8150 C CB . THR B 472 ? 0.7939 0.6406 0.6784 -0.0565 0.0121 0.0396 473 THR B CB +8151 O OG1 . THR B 472 ? 0.7611 0.6155 0.6501 -0.0552 0.0112 0.0389 473 THR B OG1 +8152 C CG2 . THR B 472 ? 0.7693 0.6133 0.6519 -0.0597 0.0155 0.0406 473 THR B CG2 +8153 N N . LEU B 473 ? 0.8095 0.6401 0.6836 -0.0548 0.0103 0.0403 474 LEU B N +8154 C CA . LEU B 473 ? 0.8412 0.6636 0.7107 -0.0562 0.0112 0.0408 474 LEU B CA +8155 C C . LEU B 473 ? 0.7705 0.5855 0.6333 -0.0527 0.0097 0.0417 474 LEU B C +8156 O O . LEU B 473 ? 0.8153 0.6222 0.6726 -0.0535 0.0107 0.0426 474 LEU B O +8157 C CB . LEU B 473 ? 0.8264 0.6507 0.7002 -0.0585 0.0105 0.0392 474 LEU B CB +8158 C CG . LEU B 473 ? 0.8752 0.7065 0.7557 -0.0622 0.0118 0.0382 474 LEU B CG +8159 C CD1 . LEU B 473 ? 0.8247 0.6577 0.7090 -0.0642 0.0108 0.0365 474 LEU B CD1 +8160 C CD2 . LEU B 473 ? 0.7699 0.5987 0.6486 -0.0655 0.0152 0.0393 474 LEU B CD2 +8161 N N . PHE B 474 ? 0.7713 0.5890 0.6344 -0.0488 0.0073 0.0415 475 PHE B N +8162 C CA . PHE B 474 ? 0.7437 0.5555 0.6012 -0.0451 0.0055 0.0420 475 PHE B CA +8163 C C . PHE B 474 ? 0.7701 0.5820 0.6246 -0.0420 0.0050 0.0431 475 PHE B C +8164 O O . PHE B 474 ? 0.7831 0.5934 0.6351 -0.0382 0.0028 0.0431 475 PHE B O +8165 C CB . PHE B 474 ? 0.6964 0.5109 0.5569 -0.0429 0.0027 0.0405 475 PHE B CB +8166 C CG . PHE B 474 ? 0.7254 0.5381 0.5874 -0.0453 0.0028 0.0396 475 PHE B CG +8167 C CD1 . PHE B 474 ? 0.7230 0.5414 0.5910 -0.0487 0.0036 0.0384 475 PHE B CD1 +8168 C CD2 . PHE B 474 ? 0.7217 0.5272 0.5790 -0.0440 0.0021 0.0397 475 PHE B CD2 +8169 C CE1 . PHE B 474 ? 0.7440 0.5607 0.6132 -0.0508 0.0035 0.0374 475 PHE B CE1 +8170 C CE2 . PHE B 474 ? 0.7909 0.5945 0.6493 -0.0461 0.0021 0.0387 475 PHE B CE2 +8171 C CZ . PHE B 474 ? 0.7380 0.5472 0.6024 -0.0496 0.0029 0.0375 475 PHE B CZ +8172 N N . ARG B 475 ? 0.7716 0.5853 0.6262 -0.0436 0.0071 0.0439 476 ARG B N +8173 C CA . ARG B 475 ? 0.7673 0.5814 0.6192 -0.0409 0.0067 0.0448 476 ARG B CA +8174 C C . ARG B 475 ? 0.8316 0.6373 0.6755 -0.0379 0.0059 0.0460 476 ARG B C +8175 O O . ARG B 475 ? 0.9066 0.7129 0.7486 -0.0344 0.0041 0.0462 476 ARG B O +8176 C CB . ARG B 475 ? 0.8304 0.6461 0.6826 -0.0435 0.0096 0.0456 476 ARG B CB +8177 C CG . ARG B 475 ? 0.9640 0.7795 0.8128 -0.0411 0.0096 0.0465 476 ARG B CG +8178 C CD . ARG B 475 ? 1.2566 1.0736 1.1059 -0.0439 0.0128 0.0473 476 ARG B CD +8179 N NE . ARG B 475 ? 1.7569 1.5714 1.6010 -0.0419 0.0134 0.0485 476 ARG B NE +8180 C CZ . ARG B 475 ? 1.6842 1.4988 1.5271 -0.0437 0.0163 0.0494 476 ARG B CZ +8181 N NH1 . ARG B 475 ? 1.2815 1.0990 1.1284 -0.0477 0.0189 0.0492 476 ARG B NH1 +8182 N NH2 . ARG B 475 ? 1.9169 1.7287 1.7544 -0.0415 0.0165 0.0505 476 ARG B NH2 +8183 N N . ASP B 476 ? 0.7707 0.5684 0.6096 -0.0391 0.0071 0.0469 477 ASP B N +8184 C CA . ASP B 476 ? 0.7815 0.5704 0.6122 -0.0364 0.0066 0.0482 477 ASP B CA +8185 C C . ASP B 476 ? 0.9235 0.7121 0.7537 -0.0322 0.0032 0.0475 477 ASP B C +8186 O O . ASP B 476 ? 0.9467 0.7306 0.7712 -0.0288 0.0019 0.0483 477 ASP B O +8187 C CB . ASP B 476 ? 0.8572 0.6375 0.6829 -0.0390 0.0090 0.0492 477 ASP B CB +8188 C CG . ASP B 476 ? 0.9149 0.6959 0.7445 -0.0413 0.0088 0.0479 477 ASP B CG +8189 O OD1 . ASP B 476 ? 1.0604 0.8493 0.8974 -0.0434 0.0088 0.0465 477 ASP B OD1 +8190 O OD2 . ASP B 476 ? 1.0581 0.8318 0.8832 -0.0408 0.0085 0.0482 477 ASP B OD2 +8191 N N A VAL B 477 ? 0.7829 0.5763 0.6189 -0.0324 0.0017 0.0458 478 VAL B N +8192 N N B VAL B 477 ? 0.7818 0.5753 0.6178 -0.0324 0.0017 0.0458 478 VAL B N +8193 C CA A VAL B 477 ? 0.8364 0.6299 0.6723 -0.0286 -0.0014 0.0450 478 VAL B CA +8194 C CA B VAL B 477 ? 0.8354 0.6291 0.6715 -0.0287 -0.0014 0.0449 478 VAL B CA +8195 C C A VAL B 477 ? 0.8380 0.6409 0.6804 -0.0270 -0.0034 0.0436 478 VAL B C +8196 C C B VAL B 477 ? 0.8369 0.6400 0.6795 -0.0271 -0.0034 0.0436 478 VAL B C +8197 O O A VAL B 477 ? 0.9447 0.7495 0.7890 -0.0245 -0.0058 0.0425 478 VAL B O +8198 O O B VAL B 477 ? 0.9469 0.7521 0.7915 -0.0246 -0.0058 0.0425 478 VAL B O +8199 C CB A VAL B 477 ? 0.8251 0.6152 0.6612 -0.0295 -0.0017 0.0442 478 VAL B CB +8200 C CB B VAL B 477 ? 0.8230 0.6136 0.6595 -0.0296 -0.0017 0.0441 478 VAL B CB +8201 C CG1 A VAL B 477 ? 0.8527 0.6323 0.6811 -0.0301 -0.0001 0.0456 478 VAL B CG1 +8202 C CG1 B VAL B 477 ? 0.8529 0.6329 0.6817 -0.0303 -0.0001 0.0456 478 VAL B CG1 +8203 C CG2 A VAL B 477 ? 0.8357 0.6314 0.6784 -0.0334 -0.0006 0.0430 478 VAL B CG2 +8204 C CG2 B VAL B 477 ? 0.8356 0.6319 0.6788 -0.0335 -0.0005 0.0429 478 VAL B CG2 +8205 N N A PHE B 478 ? 0.8839 0.6923 0.7293 -0.0282 -0.0026 0.0437 479 PHE B N +8206 N N B PHE B 478 ? 0.8830 0.6917 0.7287 -0.0283 -0.0025 0.0436 479 PHE B N +8207 C CA A PHE B 478 ? 0.9214 0.7386 0.7730 -0.0270 -0.0043 0.0424 479 PHE B CA +8208 C CA B PHE B 478 ? 0.9199 0.7372 0.7716 -0.0271 -0.0043 0.0423 479 PHE B CA +8209 C C A PHE B 478 ? 0.9764 0.7936 0.8262 -0.0225 -0.0071 0.0421 479 PHE B C +8210 C C B PHE B 478 ? 0.9774 0.7947 0.8274 -0.0227 -0.0071 0.0421 479 PHE B C +8211 O O A PHE B 478 ? 0.9615 0.7844 0.8161 -0.0211 -0.0091 0.0407 479 PHE B O +8212 O O B PHE B 478 ? 0.9623 0.7851 0.8169 -0.0213 -0.0091 0.0407 479 PHE B O +8213 C CB A PHE B 478 ? 1.0341 0.8562 0.8881 -0.0287 -0.0028 0.0426 479 PHE B CB +8214 C CB B PHE B 478 ? 1.0358 0.8577 0.8896 -0.0287 -0.0027 0.0427 479 PHE B CB +8215 C CG A PHE B 478 ? 1.1041 0.9348 0.9640 -0.0275 -0.0045 0.0414 479 PHE B CG +8216 C CG B PHE B 478 ? 1.1074 0.9379 0.9671 -0.0275 -0.0044 0.0415 479 PHE B CG +8217 C CD1 A PHE B 478 ? 0.9760 0.8128 0.8426 -0.0290 -0.0049 0.0399 479 PHE B CD1 +8218 C CD1 B PHE B 478 ? 0.9773 0.8139 0.8436 -0.0290 -0.0049 0.0400 479 PHE B CD1 +8219 C CD2 A PHE B 478 ? 0.9424 0.7748 0.8011 -0.0250 -0.0057 0.0416 479 PHE B CD2 +8220 C CD2 B PHE B 478 ? 0.9421 0.7741 0.8003 -0.0250 -0.0055 0.0417 479 PHE B CD2 +8221 C CE1 A PHE B 478 ? 0.9244 0.7686 0.7961 -0.0280 -0.0064 0.0388 479 PHE B CE1 +8222 C CE1 B PHE B 478 ? 0.9262 0.7702 0.7975 -0.0280 -0.0063 0.0389 479 PHE B CE1 +8223 C CE2 A PHE B 478 ? 1.0319 0.8718 0.8958 -0.0241 -0.0071 0.0404 479 PHE B CE2 +8224 C CE2 B PHE B 478 ? 1.0339 0.8732 0.8972 -0.0241 -0.0070 0.0406 479 PHE B CE2 +8225 C CZ A PHE B 478 ? 0.9504 0.7961 0.8207 -0.0256 -0.0074 0.0391 479 PHE B CZ +8226 C CZ B PHE B 478 ? 0.9577 0.8030 0.8275 -0.0256 -0.0073 0.0392 479 PHE B CZ +8227 N N A SER B 479 ? 0.8968 0.7079 0.7399 -0.0203 -0.0074 0.0434 480 SER B N +8228 N N B SER B 479 ? 0.8956 0.7069 0.7389 -0.0204 -0.0073 0.0434 480 SER B N +8229 C CA A SER B 479 ? 0.9428 0.7541 0.7843 -0.0160 -0.0102 0.0431 480 SER B CA +8230 C CA B SER B 479 ? 0.9430 0.7543 0.7845 -0.0161 -0.0101 0.0431 480 SER B CA +8231 C C A SER B 479 ? 0.9111 0.7175 0.7498 -0.0136 -0.0118 0.0429 480 SER B C +8232 C C B SER B 479 ? 0.9098 0.7166 0.7489 -0.0137 -0.0118 0.0428 480 SER B C +8233 O O A SER B 479 ? 1.0037 0.8103 0.8413 -0.0099 -0.0142 0.0425 480 SER B O +8234 O O B SER B 479 ? 1.0062 0.8134 0.8444 -0.0100 -0.0143 0.0424 480 SER B O +8235 C CB A SER B 479 ? 0.8709 0.6784 0.7064 -0.0143 -0.0100 0.0445 480 SER B CB +8236 C CB B SER B 479 ? 0.8693 0.6766 0.7047 -0.0144 -0.0099 0.0446 480 SER B CB +8237 O OG A SER B 479 ? 1.0355 0.8480 0.8738 -0.0161 -0.0088 0.0446 480 SER B OG +8238 O OG B SER B 479 ? 1.0430 0.8548 0.8807 -0.0163 -0.0085 0.0447 480 SER B OG +8239 N N A GLY B 480 ? 0.8966 0.6989 0.7345 -0.0156 -0.0105 0.0429 481 GLY B N +8240 N N B GLY B 480 ? 0.8966 0.6989 0.7345 -0.0156 -0.0105 0.0429 481 GLY B N +8241 C CA A GLY B 480 ? 0.8684 0.6657 0.7035 -0.0133 -0.0119 0.0427 481 GLY B CA +8242 C CA B GLY B 480 ? 0.8677 0.6648 0.7026 -0.0133 -0.0119 0.0427 481 GLY B CA +8243 C C A GLY B 480 ? 0.8700 0.6583 0.6993 -0.0151 -0.0099 0.0439 481 GLY B C +8244 C C B GLY B 480 ? 0.8690 0.6573 0.6983 -0.0153 -0.0098 0.0439 481 GLY B C +8245 O O A GLY B 480 ? 0.9093 0.6951 0.7364 -0.0179 -0.0074 0.0450 481 GLY B O +8246 O O B GLY B 480 ? 0.9094 0.6952 0.7365 -0.0181 -0.0073 0.0450 481 GLY B O +8247 N N A ILE B 481 ? 0.9049 0.6882 0.7317 -0.0137 -0.0107 0.0436 482 ILE B N +8248 N N B ILE B 481 ? 0.9040 0.6874 0.7310 -0.0139 -0.0107 0.0436 482 ILE B N +8249 C CA A ILE B 481 ? 1.0262 0.8006 0.8475 -0.0156 -0.0088 0.0447 482 ILE B CA +8250 C CA B ILE B 481 ? 1.0287 0.8031 0.8500 -0.0158 -0.0087 0.0447 482 ILE B CA +8251 C C A ILE B 481 ? 0.9747 0.7405 0.7872 -0.0127 -0.0091 0.0463 482 ILE B C +8252 C C B ILE B 481 ? 0.9748 0.7407 0.7875 -0.0129 -0.0090 0.0463 482 ILE B C +8253 O O A ILE B 481 ? 0.9364 0.7034 0.7475 -0.0089 -0.0112 0.0464 482 ILE B O +8254 O O B ILE B 481 ? 0.9360 0.7032 0.7474 -0.0091 -0.0111 0.0464 482 ILE B O +8255 C CB A ILE B 481 ? 0.9459 0.7182 0.7682 -0.0157 -0.0094 0.0435 482 ILE B CB +8256 C CB B ILE B 481 ? 0.9462 0.7186 0.7687 -0.0159 -0.0093 0.0435 482 ILE B CB +8257 C CG1 A ILE B 481 ? 0.9571 0.7271 0.7770 -0.0107 -0.0121 0.0431 482 ILE B CG1 +8258 C CG1 B ILE B 481 ? 0.9587 0.7283 0.7784 -0.0110 -0.0120 0.0431 482 ILE B CG1 +8259 C CG2 A ILE B 481 ? 0.8717 0.6526 0.7025 -0.0183 -0.0093 0.0418 482 ILE B CG2 +8260 C CG2 B ILE B 481 ? 0.8704 0.6516 0.7014 -0.0183 -0.0094 0.0418 482 ILE B CG2 +8261 C CD1 A ILE B 481 ? 0.9212 0.6882 0.7413 -0.0106 -0.0126 0.0420 482 ILE B CD1 +8262 C CD1 B ILE B 481 ? 0.9209 0.6870 0.7403 -0.0108 -0.0124 0.0422 482 ILE B CD1 +8263 N N A ASP B 482 ? 1.0288 0.7859 0.8354 -0.0147 -0.0069 0.0476 483 ASP B N +8264 N N B ASP B 482 ? 1.0292 0.7863 0.8358 -0.0148 -0.0068 0.0477 483 ASP B N +8265 C CA A ASP B 482 ? 1.0200 0.7683 0.8177 -0.0125 -0.0067 0.0494 483 ASP B CA +8266 C CA B ASP B 482 ? 1.0188 0.7671 0.8164 -0.0125 -0.0067 0.0494 483 ASP B CA +8267 C C A ASP B 482 ? 0.9793 0.7241 0.7734 -0.0073 -0.0097 0.0492 483 ASP B C +8268 C C B ASP B 482 ? 0.9766 0.7214 0.7707 -0.0073 -0.0097 0.0492 483 ASP B C +8269 O O A ASP B 482 ? 0.9895 0.7317 0.7837 -0.0067 -0.0104 0.0484 483 ASP B O +8270 O O B ASP B 482 ? 0.9874 0.7296 0.7816 -0.0067 -0.0104 0.0484 483 ASP B O +8271 C CB A ASP B 482 ? 1.1380 0.8772 0.9300 -0.0158 -0.0037 0.0508 483 ASP B CB +8272 C CB B ASP B 482 ? 1.1381 0.8772 0.9300 -0.0158 -0.0037 0.0508 483 ASP B CB +8273 C CG A ASP B 482 ? 1.2095 0.9396 0.9920 -0.0139 -0.0031 0.0529 483 ASP B CG +8274 C CG B ASP B 482 ? 1.2100 0.9400 0.9924 -0.0140 -0.0030 0.0529 483 ASP B CG +8275 O OD1 A ASP B 482 ? 1.4178 1.1487 1.1989 -0.0150 -0.0016 0.0539 483 ASP B OD1 +8276 O OD1 B ASP B 482 ? 1.4219 1.1530 1.2032 -0.0151 -0.0016 0.0539 483 ASP B OD1 +8277 O OD2 A ASP B 482 ? 1.1961 0.9182 0.9723 -0.0110 -0.0042 0.0534 483 ASP B OD2 +8278 O OD2 B ASP B 482 ? 1.1981 0.9199 0.9741 -0.0113 -0.0040 0.0535 483 ASP B OD2 +8279 N N A PRO B 483 ? 1.0639 0.8086 0.8550 -0.0034 -0.0116 0.0497 484 PRO B N +8280 N N B PRO B 483 ? 1.0638 0.8084 0.8548 -0.0034 -0.0115 0.0497 484 PRO B N +8281 C CA A PRO B 483 ? 1.0702 0.8121 0.8583 0.0018 -0.0146 0.0493 484 PRO B CA +8282 C CA B PRO B 483 ? 1.0698 0.8117 0.8579 0.0018 -0.0146 0.0493 484 PRO B CA +8283 C C A PRO B 483 ? 1.1921 0.9225 0.9721 0.0028 -0.0141 0.0503 484 PRO B C +8284 C C B PRO B 483 ? 1.1933 0.9238 0.9734 0.0028 -0.0141 0.0503 484 PRO B C +8285 O O A PRO B 483 ? 1.1935 0.9216 0.9719 0.0067 -0.0164 0.0497 484 PRO B O +8286 O O B PRO B 483 ? 1.1943 0.9226 0.9729 0.0065 -0.0163 0.0497 484 PRO B O +8287 C CB A PRO B 483 ? 1.0196 0.7630 0.8053 0.0050 -0.0163 0.0499 484 PRO B CB +8288 C CB B PRO B 483 ? 1.0185 0.7615 0.8039 0.0050 -0.0162 0.0499 484 PRO B CB +8289 C CG A PRO B 483 ? 1.0599 0.8095 0.8497 0.0016 -0.0145 0.0500 484 PRO B CG +8290 C CG B PRO B 483 ? 1.0607 0.8098 0.8500 0.0016 -0.0144 0.0501 484 PRO B CG +8291 C CD A PRO B 483 ? 1.0261 0.7731 0.8162 -0.0035 -0.0111 0.0506 484 PRO B CD +8292 C CD B PRO B 483 ? 1.0254 0.7720 0.8152 -0.0035 -0.0110 0.0507 484 PRO B CD +8293 N N . GLU B 484 ? 1.0190 0.7421 0.7938 -0.0005 -0.0111 0.0519 485 GLU B N +8294 C CA . GLU B 484 ? 1.3201 1.0315 1.0867 0.0000 -0.0102 0.0530 485 GLU B CA +8295 C C . GLU B 484 ? 1.4040 1.1137 1.1729 -0.0044 -0.0080 0.0525 485 GLU B C +8296 O O . GLU B 484 ? 1.4837 1.1841 1.2464 -0.0064 -0.0059 0.0538 485 GLU B O +8297 C CB . GLU B 484 ? 1.2888 0.9917 1.0466 -0.0005 -0.0083 0.0554 485 GLU B CB +8298 C CG . GLU B 484 ? 1.3941 1.0994 1.1500 0.0029 -0.0100 0.0560 485 GLU B CG +8299 C CD . GLU B 484 ? 1.8958 1.5979 1.6474 0.0091 -0.0135 0.0558 485 GLU B CD +8300 O OE1 . GLU B 484 ? 1.7808 1.4808 1.5326 0.0109 -0.0149 0.0549 485 GLU B OE1 +8301 O OE2 . GLU B 484 ? 2.1983 1.9001 1.9464 0.0121 -0.0150 0.0565 485 GLU B OE2 +8302 N N A LEU B 485 ? 1.3804 1.0990 1.1582 -0.0060 -0.0086 0.0506 486 LEU B N +8303 N N B LEU B 485 ? 1.3832 1.1017 1.1609 -0.0059 -0.0086 0.0506 486 LEU B N +8304 C CA A LEU B 485 ? 1.2528 0.9702 1.0330 -0.0099 -0.0069 0.0499 486 LEU B CA +8305 C CA B LEU B 485 ? 1.2511 0.9686 1.0314 -0.0099 -0.0069 0.0499 486 LEU B CA +8306 C C A LEU B 485 ? 1.3871 1.0952 1.1613 -0.0076 -0.0077 0.0499 486 LEU B C +8307 C C B LEU B 485 ? 1.3885 1.0968 1.1629 -0.0077 -0.0077 0.0499 486 LEU B C +8308 O O A LEU B 485 ? 1.2898 0.9988 1.0643 -0.0031 -0.0104 0.0490 486 LEU B O +8309 O O B LEU B 485 ? 1.2897 0.9991 1.0646 -0.0033 -0.0104 0.0489 486 LEU B O +8310 C CB A LEU B 485 ? 1.2792 1.0077 1.0695 -0.0112 -0.0078 0.0477 486 LEU B CB +8311 C CB B LEU B 485 ? 1.2798 1.0085 1.0702 -0.0113 -0.0078 0.0478 486 LEU B CB +8312 C CG A LEU B 485 ? 1.2363 0.9669 1.0311 -0.0166 -0.0056 0.0470 486 LEU B CG +8313 C CG B LEU B 485 ? 1.2362 0.9671 1.0312 -0.0167 -0.0056 0.0470 486 LEU B CG +8314 C CD1 A LEU B 485 ? 1.2387 0.9709 1.0344 -0.0209 -0.0028 0.0480 486 LEU B CD1 +8315 C CD1 B LEU B 485 ? 1.2389 0.9710 1.0344 -0.0209 -0.0027 0.0481 486 LEU B CD1 +8316 C CD2 A LEU B 485 ? 1.2007 0.9413 1.0045 -0.0168 -0.0071 0.0449 486 LEU B CD2 +8317 C CD2 B LEU B 485 ? 1.2011 0.9420 1.0050 -0.0168 -0.0070 0.0449 486 LEU B CD2 +8318 N N . SER B 486 ? 1.1948 0.8939 0.9636 -0.0106 -0.0052 0.0510 487 SER B N +8319 C CA . SER B 486 ? 1.4191 1.1081 1.1813 -0.0088 -0.0056 0.0512 487 SER B CA +8320 C C . SER B 486 ? 1.4251 1.1178 1.1930 -0.0094 -0.0065 0.0491 487 SER B C +8321 O O . SER B 486 ? 1.0334 0.7305 0.8068 -0.0141 -0.0049 0.0482 487 SER B O +8322 C CB . SER B 486 ? 1.5239 1.2021 1.2788 -0.0123 -0.0025 0.0529 487 SER B CB +8323 O OG . SER B 486 ? 1.4950 1.1772 1.2547 -0.0183 0.0003 0.0527 487 SER B OG +8324 N N . PRO B 487 ? 1.1383 0.8292 0.9049 -0.0049 -0.0090 0.0482 488 PRO B N +8325 C CA . PRO B 487 ? 1.2515 0.9450 1.0227 -0.0055 -0.0097 0.0463 488 PRO B CA +8326 C C . PRO B 487 ? 1.3700 1.0570 1.1391 -0.0103 -0.0072 0.0463 488 PRO B C +8327 O O . PRO B 487 ? 1.1923 0.8832 0.9666 -0.0123 -0.0072 0.0446 488 PRO B O +8328 C CB . PRO B 487 ? 1.1042 0.7936 0.8715 0.0005 -0.0123 0.0458 488 PRO B CB +8329 C CG . PRO B 487 ? 1.2100 0.8995 0.9742 0.0045 -0.0138 0.0470 488 PRO B CG +8330 C CD . PRO B 487 ? 1.1589 0.8449 0.9194 0.0010 -0.0113 0.0490 488 PRO B CD +8331 N N . GLU B 488 ? 1.3465 1.0240 1.1083 -0.0124 -0.0049 0.0482 489 GLU B N +8332 C CA . GLU B 488 ? 1.4402 1.1113 1.1999 -0.0171 -0.0025 0.0481 489 GLU B CA +8333 C C . GLU B 488 ? 1.3596 1.0382 1.1265 -0.0230 -0.0005 0.0475 489 GLU B C +8334 O O . GLU B 488 ? 1.4281 1.1053 1.1967 -0.0269 0.0008 0.0466 489 GLU B O +8335 C CB . GLU B 488 ? 1.5637 1.2217 1.3130 -0.0176 -0.0006 0.0503 489 GLU B CB +8336 C CG . GLU B 488 ? 1.4790 1.1280 1.2202 -0.0119 -0.0026 0.0509 489 GLU B CG +8337 C CD . GLU B 488 ? 2.0054 1.6410 1.7359 -0.0125 -0.0005 0.0532 489 GLU B CD +8338 O OE1 . GLU B 488 ? 1.8728 1.5050 1.6023 -0.0181 0.0025 0.0539 489 GLU B OE1 +8339 O OE2 . GLU B 488 ? 2.0235 1.6521 1.7467 -0.0076 -0.0020 0.0543 489 GLU B OE2 +8340 N N . GLN B 489 ? 1.3100 0.9965 1.0811 -0.0237 -0.0002 0.0480 490 GLN B N +8341 C CA . GLN B 489 ? 1.3374 1.0319 1.1160 -0.0289 0.0016 0.0472 490 GLN B CA +8342 C C . GLN B 489 ? 1.4028 1.1062 1.1897 -0.0292 0.0000 0.0449 490 GLN B C +8343 O O . GLN B 489 ? 1.4836 1.1914 1.2758 -0.0338 0.0013 0.0440 490 GLN B O +8344 C CB . GLN B 489 ? 1.6563 1.3573 1.4374 -0.0292 0.0022 0.0482 490 GLN B CB +8345 C CG . GLN B 489 ? 1.9116 1.6192 1.6991 -0.0349 0.0045 0.0477 490 GLN B CG +8346 C CD . GLN B 489 ? 1.6504 1.3688 1.4442 -0.0346 0.0040 0.0476 490 GLN B CD +8347 O OE1 . GLN B 489 ? 1.6412 1.3635 1.4359 -0.0303 0.0017 0.0474 490 GLN B OE1 +8348 N NE2 . GLN B 489 ? 1.3298 1.0532 1.1281 -0.0392 0.0062 0.0475 490 GLN B NE2 +8349 N N A VAL B 490 ? 1.2594 0.9656 1.0477 -0.0245 -0.0028 0.0439 491 VAL B N +8350 N N B VAL B 490 ? 1.2595 0.9659 1.0479 -0.0245 -0.0028 0.0439 491 VAL B N +8351 C CA A VAL B 490 ? 1.1400 0.8552 0.9362 -0.0245 -0.0044 0.0417 491 VAL B CA +8352 C CA B VAL B 490 ? 1.1382 0.8536 0.9345 -0.0244 -0.0044 0.0418 491 VAL B CA +8353 C C A VAL B 490 ? 1.2292 0.9399 1.0237 -0.0228 -0.0055 0.0405 491 VAL B C +8354 C C B VAL B 490 ? 1.2302 0.9410 1.0249 -0.0229 -0.0055 0.0405 491 VAL B C +8355 O O A VAL B 490 ? 1.2057 0.9230 1.0063 -0.0231 -0.0066 0.0386 491 VAL B O +8356 O O B VAL B 490 ? 1.2081 0.9252 1.0088 -0.0235 -0.0064 0.0387 491 VAL B O +8357 C CB A VAL B 490 ? 1.1409 0.8654 0.9420 -0.0207 -0.0066 0.0413 491 VAL B CB +8358 C CB B VAL B 490 ? 1.1424 0.8669 0.9433 -0.0206 -0.0066 0.0413 491 VAL B CB +8359 C CG1 A VAL B 490 ? 1.0449 0.7734 0.8471 -0.0222 -0.0054 0.0425 491 VAL B CG1 +8360 C CG1 B VAL B 490 ? 1.0436 0.7723 0.8460 -0.0221 -0.0055 0.0425 491 VAL B CG1 +8361 C CG2 A VAL B 490 ? 0.9985 0.7187 0.7948 -0.0149 -0.0088 0.0415 491 VAL B CG2 +8362 C CG2 B VAL B 490 ? 0.9967 0.7168 0.7928 -0.0148 -0.0088 0.0416 491 VAL B CG2 +8363 N N A GLU B 491 ? 1.2122 0.9118 0.9985 -0.0211 -0.0054 0.0414 492 GLU B N +8364 N N B GLU B 491 ? 1.2102 0.9100 0.9966 -0.0209 -0.0054 0.0414 492 GLU B N +8365 C CA A GLU B 491 ? 1.3156 1.0096 1.0995 -0.0199 -0.0062 0.0403 492 GLU B CA +8366 C CA B GLU B 491 ? 1.3158 1.0101 1.0999 -0.0199 -0.0062 0.0402 492 GLU B CA +8367 C C A GLU B 491 ? 1.2510 0.9389 1.0329 -0.0252 -0.0038 0.0402 492 GLU B C +8368 C C B GLU B 491 ? 1.2488 0.9374 1.0312 -0.0253 -0.0039 0.0401 492 GLU B C +8369 O O A GLU B 491 ? 1.3410 1.0258 1.1208 -0.0289 -0.0015 0.0415 492 GLU B O +8370 O O B GLU B 491 ? 1.3418 1.0278 1.1225 -0.0292 -0.0015 0.0414 492 GLU B O +8371 C CB A GLU B 491 ? 1.4230 1.1083 1.1990 -0.0146 -0.0075 0.0411 492 GLU B CB +8372 C CB B GLU B 491 ? 1.4239 1.1091 1.2000 -0.0147 -0.0074 0.0411 492 GLU B CB +8373 C CG A GLU B 491 ? 1.3543 1.0460 1.1330 -0.0090 -0.0102 0.0406 492 GLU B CG +8374 C CG B GLU B 491 ? 1.3545 1.0456 1.1328 -0.0090 -0.0102 0.0407 492 GLU B CG +8375 C CD A GLU B 491 ? 1.6876 1.3709 1.4584 -0.0037 -0.0116 0.0416 492 GLU B CD +8376 C CD B GLU B 491 ? 1.6926 1.3748 1.4626 -0.0039 -0.0114 0.0418 492 GLU B CD +8377 O OE1 A GLU B 491 ? 1.7028 1.3756 1.4669 -0.0035 -0.0110 0.0420 492 GLU B OE1 +8378 O OE1 B GLU B 491 ? 1.7015 1.3730 1.4645 -0.0039 -0.0107 0.0423 492 GLU B OE1 +8379 O OE2 A GLU B 491 ? 1.7697 1.4568 1.5409 0.0004 -0.0133 0.0420 492 GLU B OE2 +8380 O OE2 B GLU B 491 ? 1.7782 1.4641 1.5486 0.0001 -0.0131 0.0422 492 GLU B OE2 +8381 N N A TRP B 492 ? 1.1457 0.8318 0.9283 -0.0254 -0.0045 0.0386 493 TRP B N +8382 N N B TRP B 492 ? 1.1448 0.8313 0.9277 -0.0255 -0.0045 0.0385 493 TRP B N +8383 C CA A TRP B 492 ? 1.1554 0.8382 0.9382 -0.0308 -0.0027 0.0379 493 TRP B CA +8384 C CA B TRP B 492 ? 1.1539 0.8369 0.9369 -0.0309 -0.0026 0.0379 493 TRP B CA +8385 C C A TRP B 492 ? 1.3166 0.9856 1.0900 -0.0317 -0.0011 0.0392 493 TRP B C +8386 C C B TRP B 492 ? 1.3188 0.9880 1.0923 -0.0317 -0.0011 0.0392 493 TRP B C +8387 O O A TRP B 492 ? 1.1971 0.8584 0.9640 -0.0275 -0.0022 0.0397 493 TRP B O +8388 O O B TRP B 492 ? 1.1950 0.8567 0.9621 -0.0274 -0.0022 0.0397 493 TRP B O +8389 C CB A TRP B 492 ? 1.1128 0.7996 0.9002 -0.0307 -0.0040 0.0355 493 TRP B CB +8390 C CB B TRP B 492 ? 1.1122 0.7991 0.8996 -0.0309 -0.0040 0.0355 493 TRP B CB +8391 C CG A TRP B 492 ? 1.1313 0.8312 0.9282 -0.0319 -0.0048 0.0342 493 TRP B CG +8392 C CG B TRP B 492 ? 1.1325 0.8325 0.9295 -0.0319 -0.0048 0.0342 493 TRP B CG +8393 C CD1 A TRP B 492 ? 1.0543 0.7597 0.8569 -0.0369 -0.0037 0.0332 493 TRP B CD1 +8394 C CD1 B TRP B 492 ? 1.0536 0.7592 0.8563 -0.0369 -0.0038 0.0332 493 TRP B CD1 +8395 C CD2 A TRP B 492 ? 1.0398 0.7487 0.8415 -0.0280 -0.0067 0.0338 493 TRP B CD2 +8396 C CD2 B TRP B 492 ? 1.0391 0.7480 0.8409 -0.0280 -0.0067 0.0338 493 TRP B CD2 +8397 N NE1 A TRP B 492 ? 1.0991 0.8161 0.9094 -0.0362 -0.0049 0.0322 493 TRP B NE1 +8398 N NE1 B TRP B 492 ? 1.1016 0.8187 0.9120 -0.0361 -0.0050 0.0322 493 TRP B NE1 +8399 C CE2 A TRP B 492 ? 1.0854 0.8047 0.8954 -0.0309 -0.0067 0.0326 493 TRP B CE2 +8400 C CE2 B TRP B 492 ? 1.0881 0.8073 0.8980 -0.0308 -0.0067 0.0326 493 TRP B CE2 +8401 C CE3 A TRP B 492 ? 0.9465 0.6558 0.7465 -0.0224 -0.0085 0.0342 493 TRP B CE3 +8402 C CE3 B TRP B 492 ? 0.9430 0.6521 0.7428 -0.0223 -0.0085 0.0342 493 TRP B CE3 +8403 C CZ2 A TRP B 492 ? 0.9399 0.6693 0.7560 -0.0285 -0.0083 0.0319 493 TRP B CZ2 +8404 C CZ2 B TRP B 492 ? 0.9392 0.6686 0.7552 -0.0283 -0.0083 0.0319 493 TRP B CZ2 +8405 C CZ3 A TRP B 492 ? 1.1095 0.8293 0.9160 -0.0201 -0.0101 0.0334 493 TRP B CZ3 +8406 C CZ3 B TRP B 492 ? 1.1127 0.8323 0.9190 -0.0200 -0.0101 0.0334 493 TRP B CZ3 +8407 C CH2 A TRP B 492 ? 0.9224 0.6520 0.7367 -0.0232 -0.0099 0.0323 493 TRP B CH2 +8408 C CH2 B TRP B 492 ? 0.9208 0.6502 0.7350 -0.0230 -0.0099 0.0323 493 TRP B CH2 +8409 N N . GLY B 493 ? 1.1785 0.8447 0.9514 -0.0374 0.0014 0.0396 494 GLY B N +8410 C CA . GLY B 493 ? 1.5845 1.2376 1.3488 -0.0392 0.0032 0.0407 494 GLY B CA +8411 C C . GLY B 493 ? 1.5083 1.1548 1.2662 -0.0397 0.0052 0.0432 494 GLY B C +8412 O O . GLY B 493 ? 1.6572 1.2956 1.4105 -0.0437 0.0076 0.0441 494 GLY B O +8413 N N . PHE B 494 ? 1.3630 1.0126 1.1203 -0.0356 0.0041 0.0444 495 PHE B N +8414 C CA . PHE B 494 ? 1.2013 0.8437 0.9514 -0.0353 0.0058 0.0469 495 PHE B CA +8415 C C . PHE B 494 ? 1.2096 0.8526 0.9612 -0.0417 0.0090 0.0477 495 PHE B C +8416 O O . PHE B 494 ? 1.3236 0.9567 1.0678 -0.0436 0.0113 0.0494 495 PHE B O +8417 C CB . PHE B 494 ? 1.1860 0.8338 0.9368 -0.0304 0.0040 0.0477 495 PHE B CB +8418 C CG . PHE B 494 ? 1.5191 1.1644 1.2668 -0.0238 0.0010 0.0473 495 PHE B CG +8419 C CD1 . PHE B 494 ? 1.6499 1.3036 1.4042 -0.0213 -0.0015 0.0453 495 PHE B CD1 +8420 C CD2 . PHE B 494 ? 1.4857 1.1202 1.2237 -0.0201 0.0007 0.0490 495 PHE B CD2 +8421 C CE1 . PHE B 494 ? 1.4418 1.0936 1.1936 -0.0153 -0.0041 0.0448 495 PHE B CE1 +8422 C CE2 . PHE B 494 ? 1.6728 1.3054 1.4082 -0.0139 -0.0021 0.0485 495 PHE B CE2 +8423 C CZ . PHE B 494 ? 1.6106 1.2520 1.3531 -0.0115 -0.0045 0.0464 495 PHE B CZ +8424 N N . TYR B 495 ? 1.1232 0.7776 0.8840 -0.0449 0.0093 0.0465 496 TYR B N +8425 C CA . TYR B 495 ? 1.1602 0.8166 0.9236 -0.0510 0.0124 0.0469 496 TYR B CA +8426 C C . TYR B 495 ? 1.2178 0.8771 0.9867 -0.0556 0.0128 0.0449 496 TYR B C +8427 O O . TYR B 495 ? 1.3166 0.9819 1.0907 -0.0541 0.0105 0.0430 496 TYR B O +8428 C CB . TYR B 495 ? 1.1843 0.8519 0.9542 -0.0512 0.0125 0.0473 496 TYR B CB +8429 C CG . TYR B 495 ? 1.2273 0.8940 0.9931 -0.0465 0.0117 0.0490 496 TYR B CG +8430 C CD1 . TYR B 495 ? 1.2938 0.9488 1.0494 -0.0435 0.0118 0.0507 496 TYR B CD1 +8431 C CD2 . TYR B 495 ? 1.4667 1.1442 1.2385 -0.0450 0.0107 0.0489 496 TYR B CD2 +8432 C CE1 . TYR B 495 ? 1.4448 1.0991 1.1966 -0.0391 0.0108 0.0522 496 TYR B CE1 +8433 C CE2 . TYR B 495 ? 1.5943 1.2712 1.3625 -0.0408 0.0098 0.0503 496 TYR B CE2 +8434 C CZ . TYR B 495 ? 1.7887 1.4541 1.5469 -0.0378 0.0099 0.0520 496 TYR B CZ +8435 O OH . TYR B 495 ? 1.7363 1.4010 1.4906 -0.0336 0.0088 0.0534 496 TYR B OH +8436 N N . GLN B 496 ? 1.1751 0.8301 0.9427 -0.0613 0.0157 0.0453 497 GLN B N +8437 C CA . GLN B 496 ? 1.2366 0.8950 1.0099 -0.0660 0.0161 0.0432 497 GLN B CA +8438 C C . GLN B 496 ? 1.1642 0.8369 0.9481 -0.0679 0.0157 0.0420 497 GLN B C +8439 O O . GLN B 496 ? 1.0338 0.7128 0.8239 -0.0689 0.0143 0.0399 497 GLN B O +8440 C CB . GLN B 496 ? 1.2061 0.8563 0.9755 -0.0717 0.0193 0.0438 497 GLN B CB +8441 C CG . GLN B 496 ? 1.5799 1.2150 1.3382 -0.0706 0.0201 0.0451 497 GLN B CG +8442 C CD . GLN B 496 ? 1.5748 1.2025 1.3295 -0.0766 0.0238 0.0461 497 GLN B CD +8443 O OE1 . GLN B 496 ? 1.3690 0.9973 1.1271 -0.0816 0.0248 0.0446 497 GLN B OE1 +8444 N NE2 . GLN B 496 ? 1.5369 1.1583 1.2851 -0.0762 0.0259 0.0485 497 GLN B NE2 +8445 N N . LYS B 497 ? 1.0642 0.7416 0.8499 -0.0686 0.0171 0.0433 498 LYS B N +8446 C CA . LYS B 497 ? 1.0049 0.6954 0.8000 -0.0701 0.0169 0.0424 498 LYS B CA +8447 C C . LYS B 497 ? 1.1925 0.8890 0.9891 -0.0646 0.0147 0.0428 498 LYS B C +8448 O O . LYS B 497 ? 1.0269 0.7185 0.8175 -0.0615 0.0149 0.0447 498 LYS B O +8449 C CB . LYS B 497 ? 1.0283 0.7201 0.8246 -0.0750 0.0203 0.0434 498 LYS B CB +8450 C CG . LYS B 497 ? 1.0469 0.7518 0.8533 -0.0776 0.0203 0.0422 498 LYS B CG +8451 C CD . LYS B 497 ? 1.0677 0.7738 0.8749 -0.0817 0.0237 0.0434 498 LYS B CD +8452 C CE . LYS B 497 ? 1.0026 0.7214 0.8199 -0.0844 0.0239 0.0420 498 LYS B CE +8453 N NZ . LYS B 497 ? 0.9790 0.6995 0.7972 -0.0881 0.0273 0.0432 498 LYS B NZ +8454 N N . VAL B 498 ? 0.9982 0.7049 0.8024 -0.0633 0.0124 0.0411 499 VAL B N +8455 C CA . VAL B 498 ? 0.9201 0.6328 0.7262 -0.0582 0.0101 0.0412 499 VAL B CA +8456 C C . VAL B 498 ? 0.9147 0.6305 0.7208 -0.0581 0.0115 0.0428 499 VAL B C +8457 O O . VAL B 498 ? 0.9899 0.7109 0.8005 -0.0621 0.0134 0.0428 499 VAL B O +8458 C CB . VAL B 498 ? 1.0159 0.7393 0.8306 -0.0576 0.0079 0.0390 499 VAL B CB +8459 C CG1 . VAL B 498 ? 0.9680 0.6979 0.7848 -0.0528 0.0058 0.0392 499 VAL B CG1 +8460 C CG2 . VAL B 498 ? 0.9321 0.6520 0.7460 -0.0571 0.0064 0.0374 499 VAL B CG2 +8461 N N . GLY B 499 ? 0.9523 0.6648 0.7534 -0.0535 0.0105 0.0442 500 GLY B N +8462 C CA . GLY B 499 ? 1.0907 0.8061 0.8914 -0.0527 0.0115 0.0457 500 GLY B CA +8463 C C . GLY B 499 ? 1.3539 1.0621 1.1490 -0.0559 0.0148 0.0476 500 GLY B C +8464 O O . GLY B 499 ? 1.1577 0.8688 0.9531 -0.0561 0.0160 0.0487 500 GLY B O +8465 N N . ASP B 500 ? 1.0792 0.7779 0.8692 -0.0586 0.0165 0.0479 501 ASP B N +8466 C CA . ASP B 500 ? 1.0897 0.7813 0.8744 -0.0621 0.0200 0.0497 501 ASP B CA +8467 C C . ASP B 500 ? 1.0234 0.7016 0.7971 -0.0594 0.0201 0.0513 501 ASP B C +8468 O O . ASP B 500 ? 1.1354 0.8060 0.9055 -0.0600 0.0199 0.0509 501 ASP B O +8469 C CB . ASP B 500 ? 1.0691 0.7613 0.8576 -0.0685 0.0223 0.0487 501 ASP B CB +8470 C CG . ASP B 500 ? 1.2990 0.9857 1.0834 -0.0727 0.0262 0.0504 501 ASP B CG +8471 O OD1 . ASP B 500 ? 1.1126 0.7910 0.8887 -0.0706 0.0272 0.0524 501 ASP B OD1 +8472 O OD2 . ASP B 500 ? 1.2304 0.9212 1.0200 -0.0780 0.0284 0.0496 501 ASP B OD2 +8473 N N . VAL B 501 ? 1.0288 0.7040 0.7972 -0.0564 0.0203 0.0532 502 VAL B N +8474 C CA . VAL B 501 ? 1.1724 0.8357 0.9304 -0.0527 0.0198 0.0548 502 VAL B CA +8475 C C . VAL B 501 ? 1.2630 0.9143 1.0135 -0.0565 0.0231 0.0561 502 VAL B C +8476 O O . VAL B 501 ? 1.3055 0.9456 1.0474 -0.0542 0.0227 0.0570 502 VAL B O +8477 C CB . VAL B 501 ? 1.2421 0.9059 0.9966 -0.0482 0.0189 0.0563 502 VAL B CB +8478 C CG1 . VAL B 501 ? 1.1215 0.7854 0.8747 -0.0516 0.0223 0.0579 502 VAL B CG1 +8479 C CG2 . VAL B 501 ? 1.2922 0.9450 1.0367 -0.0433 0.0175 0.0576 502 VAL B CG2 +8480 N N . THR B 502 ? 1.1563 0.8097 0.9099 -0.0625 0.0264 0.0562 503 THR B N +8481 C CA . THR B 502 ? 1.0720 0.7148 0.8195 -0.0670 0.0297 0.0572 503 THR B CA +8482 C C . THR B 502 ? 1.3307 0.9692 1.0785 -0.0691 0.0292 0.0557 503 THR B C +8483 O O . THR B 502 ? 1.2845 0.9143 1.0277 -0.0732 0.0320 0.0563 503 THR B O +8484 C CB . THR B 502 ? 1.2497 0.8971 1.0014 -0.0729 0.0334 0.0575 503 THR B CB +8485 O OG1 . THR B 502 ? 1.2127 0.8692 0.9743 -0.0769 0.0333 0.0552 503 THR B OG1 +8486 C CG2 . THR B 502 ? 1.1457 0.8000 0.8993 -0.0710 0.0337 0.0585 503 THR B CG2 +8487 N N . THR B 503 ? 1.2602 0.9043 1.0131 -0.0666 0.0260 0.0537 504 THR B N +8488 C CA . THR B 503 ? 1.0141 0.6547 0.7676 -0.0686 0.0254 0.0520 504 THR B CA +8489 C C . THR B 503 ? 1.1772 0.8113 0.9253 -0.0630 0.0224 0.0518 504 THR B C +8490 O O . THR B 503 ? 1.1314 0.7659 0.8819 -0.0630 0.0208 0.0500 504 THR B O +8491 C CB . THR B 503 ? 1.1632 0.8160 0.9279 -0.0716 0.0245 0.0496 504 THR B CB +8492 O OG1 . THR B 503 ? 1.0717 0.7335 0.8417 -0.0669 0.0211 0.0484 504 THR B OG1 +8493 C CG2 . THR B 503 ? 1.1806 0.8409 0.9513 -0.0766 0.0273 0.0497 504 THR B CG2 +8494 N N . ARG B 504 ? 1.2112 0.8393 0.9519 -0.0582 0.0217 0.0536 505 ARG B N +8495 C CA . ARG B 504 ? 1.4726 1.0918 1.2062 -0.0531 0.0194 0.0538 505 ARG B CA +8496 C C . ARG B 504 ? 1.2203 0.8276 0.9478 -0.0560 0.0210 0.0537 505 ARG B C +8497 O O . ARG B 504 ? 1.3731 0.9778 1.1000 -0.0543 0.0190 0.0523 505 ARG B O +8498 C CB . ARG B 504 ? 1.4573 1.0704 1.1828 -0.0482 0.0189 0.0560 505 ARG B CB +8499 C CG . ARG B 504 ? 1.5568 1.1780 1.2858 -0.0421 0.0154 0.0555 505 ARG B CG +8500 C CD . ARG B 504 ? 1.8277 1.4399 1.5470 -0.0362 0.0140 0.0572 505 ARG B CD +8501 N NE . ARG B 504 ? 2.2758 1.8762 1.9876 -0.0346 0.0135 0.0572 505 ARG B NE +8502 C CZ . ARG B 504 ? 2.2015 1.8021 1.9139 -0.0303 0.0105 0.0558 505 ARG B CZ +8503 N NH1 . ARG B 504 ? 2.1718 1.7613 1.8773 -0.0292 0.0103 0.0558 505 ARG B NH1 +8504 N NH2 . ARG B 504 ? 1.7985 1.4105 1.5185 -0.0270 0.0077 0.0544 505 ARG B NH2 +8505 N N . ALA C 5 ? 2.4686 2.1304 2.2294 0.1182 -0.0357 -0.0028 23 ALA C N +8506 C CA . ALA C 5 ? 2.1717 1.8454 1.9413 0.1128 -0.0349 -0.0027 23 ALA C CA +8507 C C . ALA C 5 ? 2.2297 1.9156 2.0070 0.1153 -0.0364 -0.0025 23 ALA C C +8508 O O . ALA C 5 ? 2.2662 1.9537 2.0442 0.1128 -0.0372 -0.0006 23 ALA C O +8509 C CB . ALA C 5 ? 2.1084 1.7766 1.8747 0.1056 -0.0340 -0.0007 23 ALA C CB +8510 N N . THR C 6 ? 1.6341 1.3286 1.4172 0.1203 -0.0368 -0.0045 24 THR C N +8511 C CA . THR C 6 ? 1.7137 1.4202 1.5044 0.1231 -0.0384 -0.0047 24 THR C CA +8512 C C . THR C 6 ? 1.4171 1.1348 1.2162 0.1172 -0.0374 -0.0044 24 THR C C +8513 O O . THR C 6 ? 1.3272 1.0511 1.1313 0.1146 -0.0357 -0.0059 24 THR C O +8514 C CB . THR C 6 ? 1.6080 1.3209 1.4030 0.1297 -0.0388 -0.0071 24 THR C CB +8515 O OG1 . THR C 6 ? 1.9804 1.6856 1.7691 0.1362 -0.0407 -0.0068 24 THR C OG1 +8516 C CG2 . THR C 6 ? 1.2540 0.9829 1.0601 0.1303 -0.0394 -0.0079 24 THR C CG2 +8517 N N . ASN C 7 ? 1.4224 1.1424 1.2226 0.1150 -0.0386 -0.0026 25 ASN C N +8518 C CA . ASN C 7 ? 1.2985 1.0294 1.1066 0.1100 -0.0381 -0.0022 25 ASN C CA +8519 C C . ASN C 7 ? 1.3359 1.0650 1.1437 0.1030 -0.0358 -0.0019 25 ASN C C +8520 O O . ASN C 7 ? 1.2096 0.9484 1.0246 0.0993 -0.0348 -0.0024 25 ASN C O +8521 C CB . ASN C 7 ? 1.4738 1.2188 1.2918 0.1126 -0.0382 -0.0042 25 ASN C CB +8522 C CG . ASN C 7 ? 1.5349 1.2896 1.3591 0.1123 -0.0397 -0.0035 25 ASN C CG +8523 O OD1 . ASN C 7 ? 1.6675 1.4180 1.4879 0.1130 -0.0414 -0.0017 25 ASN C OD1 +8524 N ND2 . ASN C 7 ? 1.4293 1.1968 1.2629 0.1113 -0.0390 -0.0048 25 ASN C ND2 +8525 N N . ARG C 8 ? 1.2564 0.9731 1.0559 0.1011 -0.0350 -0.0012 26 ARG C N +8526 C CA . ARG C 8 ? 1.2039 0.9184 1.0029 0.0948 -0.0331 -0.0012 26 ARG C CA +8527 C C . ARG C 8 ? 1.0060 0.7153 0.8014 0.0893 -0.0329 0.0012 26 ARG C C +8528 O O . ARG C 8 ? 1.1062 0.8096 0.8983 0.0845 -0.0315 0.0014 26 ARG C O +8529 C CB . ARG C 8 ? 1.1256 0.8308 0.9186 0.0959 -0.0320 -0.0024 26 ARG C CB +8530 C CG . ARG C 8 ? 0.9811 0.6930 0.7788 0.0994 -0.0313 -0.0050 26 ARG C CG +8531 C CD . ARG C 8 ? 1.1836 0.8935 0.9805 0.0957 -0.0292 -0.0062 26 ARG C CD +8532 N NE . ARG C 8 ? 1.2867 0.9824 1.0741 0.0947 -0.0288 -0.0058 26 ARG C NE +8533 C CZ . ARG C 8 ? 1.5959 1.2832 1.3773 0.0995 -0.0291 -0.0067 26 ARG C CZ +8534 N NH1 . ARG C 8 ? 1.2502 0.9418 1.0340 0.1060 -0.0298 -0.0081 26 ARG C NH1 +8535 N NH2 . ARG C 8 ? 1.4225 1.0967 1.1952 0.0979 -0.0286 -0.0063 26 ARG C NH2 +8536 N N . ASP C 9 ? 1.0356 0.7472 0.8319 0.0898 -0.0343 0.0028 27 ASP C N +8537 C CA . ASP C 9 ? 1.0742 0.7832 0.8687 0.0843 -0.0340 0.0049 27 ASP C CA +8538 C C . ASP C 9 ? 0.9723 0.6915 0.7732 0.0844 -0.0352 0.0057 27 ASP C C +8539 O O . ASP C 9 ? 1.0814 0.8084 0.8872 0.0888 -0.0364 0.0046 27 ASP C O +8540 C CB . ASP C 9 ? 1.3301 1.0249 1.1145 0.0847 -0.0344 0.0066 27 ASP C CB +8541 C CG . ASP C 9 ? 0.9932 0.6844 0.7738 0.0916 -0.0364 0.0068 27 ASP C CG +8542 O OD1 . ASP C 9 ? 1.1902 0.8861 0.9730 0.0931 -0.0378 0.0079 27 ASP C OD1 +8543 O OD2 . ASP C 9 ? 1.5530 1.2368 1.3285 0.0957 -0.0365 0.0059 27 ASP C OD2 +8544 N N . GLN C 10 ? 0.9564 0.6756 0.7573 0.0793 -0.0348 0.0074 28 GLN C N +8545 C CA . GLN C 10 ? 1.0379 0.7667 0.8447 0.0789 -0.0359 0.0081 28 GLN C CA +8546 C C . GLN C 10 ? 1.2529 0.9792 1.0565 0.0841 -0.0381 0.0091 28 GLN C C +8547 O O . GLN C 10 ? 1.0162 0.7518 0.8256 0.0864 -0.0394 0.0088 28 GLN C O +8548 C CB . GLN C 10 ? 0.9209 0.6500 0.7282 0.0723 -0.0348 0.0097 28 GLN C CB +8549 C CG . GLN C 10 ? 1.1935 0.9312 1.0060 0.0719 -0.0359 0.0107 28 GLN C CG +8550 C CD . GLN C 10 ? 1.2185 0.9594 1.0337 0.0653 -0.0346 0.0117 28 GLN C CD +8551 O OE1 . GLN C 10 ? 1.2412 0.9759 1.0530 0.0611 -0.0331 0.0121 28 GLN C OE1 +8552 N NE2 . GLN C 10 ? 1.1327 0.8833 0.9542 0.0644 -0.0352 0.0119 28 GLN C NE2 +8553 N N . GLU C 11 ? 1.0976 0.8114 0.8920 0.0861 -0.0385 0.0102 29 GLU C N +8554 C CA . GLU C 11 ? 1.2354 0.9459 1.0259 0.0908 -0.0406 0.0114 29 GLU C CA +8555 C C . GLU C 11 ? 1.0307 0.7464 0.8243 0.0978 -0.0423 0.0096 29 GLU C C +8556 O O . GLU C 11 ? 1.1325 0.8545 0.9293 0.1009 -0.0443 0.0097 29 GLU C O +8557 C CB . GLU C 11 ? 1.3212 1.0165 1.1007 0.0911 -0.0405 0.0130 29 GLU C CB +8558 C CG . GLU C 11 ? 1.7385 1.4264 1.5142 0.0851 -0.0382 0.0135 29 GLU C CG +8559 C CD . GLU C 11 ? 1.9518 1.6452 1.7318 0.0784 -0.0370 0.0146 29 GLU C CD +8560 O OE1 . GLU C 11 ? 1.7276 1.4242 1.5087 0.0781 -0.0379 0.0160 29 GLU C OE1 +8561 O OE2 . GLU C 11 ? 1.7157 1.4104 1.4980 0.0737 -0.0352 0.0139 29 GLU C OE2 +8562 N N . SER C 12 ? 1.0560 0.7691 0.8486 0.1002 -0.0417 0.0079 30 SER C N +8563 C CA . SER C 12 ? 1.0415 0.7597 0.8372 0.1069 -0.0431 0.0061 30 SER C CA +8564 C C . SER C 12 ? 1.1386 0.8723 0.9454 0.1066 -0.0432 0.0045 30 SER C C +8565 O O . SER C 12 ? 1.2073 0.9480 1.0183 0.1112 -0.0451 0.0038 30 SER C O +8566 C CB . SER C 12 ? 1.0996 0.8111 0.8914 0.1094 -0.0422 0.0046 30 SER C CB +8567 O OG . SER C 12 ? 1.2740 0.9826 1.0651 0.1037 -0.0398 0.0044 30 SER C OG +8568 N N . SER C 13 ? 1.1797 0.9191 0.9917 0.1011 -0.0412 0.0040 31 SER C N +8569 C CA . SER C 13 ? 1.0779 0.8312 0.9000 0.1008 -0.0409 0.0023 31 SER C CA +8570 C C . SER C 13 ? 1.0037 0.7657 0.8316 0.0974 -0.0414 0.0033 31 SER C C +8571 O O . SER C 13 ? 0.9954 0.7690 0.8314 0.0986 -0.0419 0.0020 31 SER C O +8572 C CB . SER C 13 ? 1.0654 0.8204 0.8901 0.0973 -0.0385 0.0009 31 SER C CB +8573 O OG . SER C 13 ? 1.0505 0.8044 0.8749 0.0905 -0.0371 0.0022 31 SER C OG +8574 N N . GLY C 14 ? 0.9454 0.7022 0.7693 0.0933 -0.0412 0.0054 32 GLY C N +8575 C CA . GLY C 14 ? 0.8171 0.5817 0.6462 0.0895 -0.0414 0.0063 32 GLY C CA +8576 C C . GLY C 14 ? 0.9675 0.7379 0.8018 0.0835 -0.0393 0.0059 32 GLY C C +8577 O O . GLY C 14 ? 0.9729 0.7482 0.8105 0.0797 -0.0392 0.0069 32 GLY C O +8578 N N . PHE C 15 ? 0.9102 0.6798 0.7450 0.0825 -0.0376 0.0045 33 PHE C N +8579 C CA . PHE C 15 ? 0.8949 0.6699 0.7345 0.0772 -0.0357 0.0040 33 PHE C CA +8580 C C . PHE C 15 ? 0.9155 0.6809 0.7490 0.0729 -0.0342 0.0049 33 PHE C C +8581 O O . PHE C 15 ? 0.9398 0.6963 0.7673 0.0747 -0.0339 0.0045 33 PHE C O +8582 C CB . PHE C 15 ? 0.7542 0.5363 0.5993 0.0792 -0.0348 0.0016 33 PHE C CB +8583 C CG . PHE C 15 ? 0.8480 0.6419 0.7010 0.0818 -0.0359 0.0006 33 PHE C CG +8584 C CD1 . PHE C 15 ? 0.7976 0.6006 0.6570 0.0780 -0.0356 0.0009 33 PHE C CD1 +8585 C CD2 . PHE C 15 ? 0.8165 0.6124 0.6705 0.0879 -0.0371 -0.0007 33 PHE C CD2 +8586 C CE1 . PHE C 15 ? 0.9693 0.7830 0.8359 0.0802 -0.0365 -0.0001 33 PHE C CE1 +8587 C CE2 . PHE C 15 ? 0.8331 0.6401 0.6947 0.0901 -0.0381 -0.0017 33 PHE C CE2 +8588 C CZ . PHE C 15 ? 0.8483 0.6641 0.7162 0.0862 -0.0378 -0.0014 33 PHE C CZ +8589 N N . ALA C 16 ? 0.8584 0.6257 0.6936 0.0672 -0.0333 0.0059 34 ALA C N +8590 C CA . ALA C 16 ? 0.8832 0.6427 0.7137 0.0627 -0.0318 0.0065 34 ALA C CA +8591 C C . ALA C 16 ? 0.8393 0.5992 0.6709 0.0622 -0.0304 0.0046 34 ALA C C +8592 O O . ALA C 16 ? 0.8741 0.6414 0.7108 0.0647 -0.0303 0.0029 34 ALA C O +8593 C CB . ALA C 16 ? 0.8268 0.5893 0.6595 0.0569 -0.0311 0.0079 34 ALA C CB +8594 N N . TRP C 17 ? 0.8505 0.6024 0.6772 0.0587 -0.0292 0.0049 35 TRP C N +8595 C CA . TRP C 17 ? 0.8892 0.6403 0.7160 0.0580 -0.0279 0.0031 35 TRP C CA +8596 C C . TRP C 17 ? 0.9360 0.6980 0.7706 0.0553 -0.0270 0.0021 35 TRP C C +8597 O O . TRP C 17 ? 0.8707 0.6357 0.7075 0.0569 -0.0262 0.0002 35 TRP C O +8598 C CB . TRP C 17 ? 0.9158 0.6564 0.7361 0.0542 -0.0270 0.0037 35 TRP C CB +8599 C CG . TRP C 17 ? 0.9963 0.7390 0.8185 0.0479 -0.0263 0.0048 35 TRP C CG +8600 C CD1 . TRP C 17 ? 0.9027 0.6424 0.7228 0.0452 -0.0265 0.0068 35 TRP C CD1 +8601 C CD2 . TRP C 17 ? 1.0880 0.8363 0.9146 0.0436 -0.0251 0.0039 35 TRP C CD2 +8602 N NE1 . TRP C 17 ? 0.9586 0.7019 0.7818 0.0396 -0.0256 0.0071 35 TRP C NE1 +8603 C CE2 . TRP C 17 ? 0.9455 0.6941 0.7726 0.0386 -0.0249 0.0054 35 TRP C CE2 +8604 C CE3 . TRP C 17 ? 0.9925 0.7455 0.8224 0.0436 -0.0243 0.0020 35 TRP C CE3 +8605 C CZ2 . TRP C 17 ? 1.0749 0.8284 0.9059 0.0337 -0.0239 0.0051 35 TRP C CZ2 +8606 C CZ3 . TRP C 17 ? 0.9904 0.7479 0.8238 0.0388 -0.0234 0.0017 35 TRP C CZ3 +8607 C CH2 . TRP C 17 ? 1.2046 0.9623 1.0385 0.0340 -0.0233 0.0032 35 TRP C CH2 +8608 N N A TRP C 18 ? 0.8437 0.6113 0.6822 0.0514 -0.0269 0.0032 36 TRP C N +8609 N N B TRP C 18 ? 0.8425 0.6100 0.6810 0.0514 -0.0269 0.0032 36 TRP C N +8610 C CA A TRP C 18 ? 0.9005 0.6778 0.7459 0.0486 -0.0260 0.0023 36 TRP C CA +8611 C CA B TRP C 18 ? 0.9014 0.6787 0.7468 0.0486 -0.0260 0.0023 36 TRP C CA +8612 C C A TRP C 18 ? 0.8237 0.6109 0.6755 0.0522 -0.0264 0.0012 36 TRP C C +8613 C C B TRP C 18 ? 0.8223 0.6093 0.6740 0.0523 -0.0264 0.0011 36 TRP C C +8614 O O A TRP C 18 ? 0.8602 0.6553 0.7175 0.0506 -0.0255 0.0002 36 TRP C O +8615 O O B TRP C 18 ? 0.8612 0.6558 0.7182 0.0509 -0.0255 0.0000 36 TRP C O +8616 C CB A TRP C 18 ? 0.8726 0.6528 0.7201 0.0434 -0.0258 0.0037 36 TRP C CB +8617 C CB B TRP C 18 ? 0.8713 0.6516 0.7189 0.0435 -0.0258 0.0037 36 TRP C CB +8618 C CG A TRP C 18 ? 0.8890 0.6687 0.7357 0.0439 -0.0270 0.0055 36 TRP C CG +8619 C CG B TRP C 18 ? 0.8881 0.6678 0.7348 0.0441 -0.0270 0.0055 36 TRP C CG +8620 C CD1 A TRP C 18 ? 0.9458 0.7173 0.7869 0.0424 -0.0273 0.0072 36 TRP C CD1 +8621 C CD1 B TRP C 18 ? 0.9469 0.7182 0.7878 0.0426 -0.0273 0.0072 36 TRP C CD1 +8622 C CD2 A TRP C 18 ? 0.8764 0.6642 0.7281 0.0460 -0.0281 0.0058 36 TRP C CD2 +8623 C CD2 B TRP C 18 ? 0.8753 0.6630 0.7269 0.0461 -0.0281 0.0058 36 TRP C CD2 +8624 N NE1 A TRP C 18 ? 0.9266 0.7003 0.7685 0.0435 -0.0284 0.0086 36 TRP C NE1 +8625 N NE1 B TRP C 18 ? 0.9266 0.7000 0.7682 0.0439 -0.0284 0.0085 36 TRP C NE1 +8626 C CE2 A TRP C 18 ? 0.9254 0.7091 0.7738 0.0458 -0.0290 0.0077 36 TRP C CE2 +8627 C CE2 B TRP C 18 ? 0.9262 0.7098 0.7745 0.0460 -0.0290 0.0077 36 TRP C CE2 +8628 C CE3 A TRP C 18 ? 0.8711 0.6689 0.7295 0.0480 -0.0283 0.0046 36 TRP C CE3 +8629 C CE3 B TRP C 18 ? 0.8710 0.6689 0.7295 0.0479 -0.0282 0.0046 36 TRP C CE3 +8630 C CZ2 A TRP C 18 ? 0.8675 0.6570 0.7191 0.0475 -0.0303 0.0084 36 TRP C CZ2 +8631 C CZ2 B TRP C 18 ? 0.8669 0.6561 0.7182 0.0478 -0.0303 0.0084 36 TRP C CZ2 +8632 C CZ3 A TRP C 18 ? 0.8900 0.6937 0.7518 0.0496 -0.0295 0.0053 36 TRP C CZ3 +8633 C CZ3 B TRP C 18 ? 0.8914 0.6950 0.7532 0.0496 -0.0295 0.0053 36 TRP C CZ3 +8634 C CH2 A TRP C 18 ? 0.8263 0.6257 0.6846 0.0494 -0.0306 0.0071 36 TRP C CH2 +8635 C CH2 B TRP C 18 ? 0.8253 0.6246 0.6835 0.0495 -0.0306 0.0071 36 TRP C CH2 +8636 N N . ALA C 19 ? 0.8615 0.6483 0.7126 0.0571 -0.0278 0.0013 37 ALA C N +8637 C CA . ALA C 19 ? 0.7874 0.5825 0.6439 0.0613 -0.0282 -0.0001 37 ALA C CA +8638 C C . ALA C 19 ? 0.8812 0.6712 0.7341 0.0666 -0.0285 -0.0013 37 ALA C C +8639 O O . ALA C 19 ? 0.8342 0.6282 0.6895 0.0714 -0.0296 -0.0021 37 ALA C O +8640 C CB . ALA C 19 ? 0.7617 0.5624 0.6216 0.0626 -0.0298 0.0009 37 ALA C CB +8641 N N . GLY C 20 ? 0.8646 0.6455 0.7115 0.0659 -0.0277 -0.0016 38 GLY C N +8642 C CA . GLY C 20 ? 0.9529 0.7266 0.7946 0.0708 -0.0280 -0.0024 38 GLY C CA +8643 C C . GLY C 20 ? 0.9524 0.7327 0.7986 0.0754 -0.0278 -0.0045 38 GLY C C +8644 O O . GLY C 20 ? 0.9438 0.7212 0.7877 0.0807 -0.0287 -0.0051 38 GLY C O +8645 N N . ASN C 21 ? 0.7898 0.5788 0.6422 0.0735 -0.0265 -0.0058 39 ASN C N +8646 C CA . ASN C 21 ? 0.8380 0.6334 0.6947 0.0777 -0.0259 -0.0078 39 ASN C CA +8647 C C . ASN C 21 ? 0.8253 0.6286 0.6872 0.0814 -0.0274 -0.0079 39 ASN C C +8648 O O . ASN C 21 ? 0.8794 0.6876 0.7447 0.0857 -0.0273 -0.0096 39 ASN C O +8649 C CB . ASN C 21 ? 0.7654 0.5674 0.6268 0.0745 -0.0239 -0.0090 39 ASN C CB +8650 C CG . ASN C 21 ? 1.0347 0.8289 0.8907 0.0723 -0.0226 -0.0096 39 ASN C CG +8651 O OD1 . ASN C 21 ? 0.8832 0.6682 0.7328 0.0748 -0.0228 -0.0099 39 ASN C OD1 +8652 N ND2 . ASN C 21 ? 0.8347 0.6321 0.6930 0.0676 -0.0212 -0.0098 39 ASN C ND2 +8653 N N . ALA C 22 ? 0.7821 0.5870 0.6450 0.0800 -0.0288 -0.0063 40 ALA C N +8654 C CA . ALA C 22 ? 0.8395 0.6506 0.7063 0.0839 -0.0306 -0.0063 40 ALA C CA +8655 C C . ALA C 22 ? 0.9550 0.7589 0.8164 0.0897 -0.0322 -0.0064 40 ALA C C +8656 O O . ALA C 22 ? 0.8576 0.6668 0.7223 0.0942 -0.0337 -0.0070 40 ALA C O +8657 C CB . ALA C 22 ? 0.8680 0.6820 0.7366 0.0807 -0.0317 -0.0045 40 ALA C CB +8658 N N . ARG C 23 ? 0.9044 0.6965 0.7576 0.0897 -0.0320 -0.0057 41 ARG C N +8659 C CA . ARG C 23 ? 0.9561 0.7403 0.8034 0.0952 -0.0333 -0.0058 41 ARG C CA +8660 C C . ARG C 23 ? 1.0120 0.7996 0.8617 0.1004 -0.0329 -0.0082 41 ARG C C +8661 O O . ARG C 23 ? 1.0621 0.8448 0.9080 0.1059 -0.0342 -0.0085 41 ARG C O +8662 C CB . ARG C 23 ? 0.8784 0.6489 0.7163 0.0934 -0.0328 -0.0047 41 ARG C CB +8663 C CG . ARG C 23 ? 0.8370 0.6032 0.6718 0.0887 -0.0332 -0.0024 41 ARG C CG +8664 C CD . ARG C 23 ? 0.8719 0.6264 0.6989 0.0854 -0.0321 -0.0016 41 ARG C CD +8665 N NE . ARG C 23 ? 0.8339 0.5847 0.6584 0.0810 -0.0324 0.0006 41 ARG C NE +8666 C CZ . ARG C 23 ? 1.0637 0.8048 0.8818 0.0773 -0.0316 0.0017 41 ARG C CZ +8667 N NH1 . ARG C 23 ? 0.8516 0.5852 0.6650 0.0774 -0.0305 0.0007 41 ARG C NH1 +8668 N NH2 . ARG C 23 ? 0.8480 0.5868 0.6644 0.0734 -0.0317 0.0037 41 ARG C NH2 +8669 N N . LEU C 24 ? 0.9121 0.7078 0.7678 0.0990 -0.0311 -0.0098 42 LEU C N +8670 C CA . LEU C 24 ? 0.9285 0.7276 0.7868 0.1034 -0.0303 -0.0121 42 LEU C CA +8671 C C . LEU C 24 ? 0.9030 0.7144 0.7697 0.1068 -0.0310 -0.0133 42 LEU C C +8672 O O . LEU C 24 ? 0.9491 0.7650 0.8191 0.1105 -0.0302 -0.0154 42 LEU C O +8673 C CB . LEU C 24 ? 0.8585 0.6588 0.7179 0.0999 -0.0276 -0.0132 42 LEU C CB +8674 C CG . LEU C 24 ? 1.0490 0.8379 0.9006 0.0964 -0.0267 -0.0125 42 LEU C CG +8675 C CD1 . LEU C 24 ? 0.9293 0.7212 0.7831 0.0922 -0.0243 -0.0135 42 LEU C CD1 +8676 C CD2 . LEU C 24 ? 1.0213 0.7996 0.8653 0.1011 -0.0271 -0.0130 42 LEU C CD2 +8677 N N . ILE C 25 ? 0.9342 0.7513 0.8047 0.1056 -0.0325 -0.0122 43 ILE C N +8678 C CA . ILE C 25 ? 0.9418 0.7719 0.8216 0.1073 -0.0329 -0.0135 43 ILE C CA +8679 C C . ILE C 25 ? 0.9317 0.7636 0.8126 0.1145 -0.0342 -0.0151 43 ILE C C +8680 O O . ILE C 25 ? 1.0057 0.8471 0.8935 0.1167 -0.0334 -0.0171 43 ILE C O +8681 C CB . ILE C 25 ? 1.0644 0.8991 0.9472 0.1046 -0.0345 -0.0119 43 ILE C CB +8682 C CG1 . ILE C 25 ? 0.9239 0.7595 0.8076 0.0975 -0.0329 -0.0108 43 ILE C CG1 +8683 C CG2 . ILE C 25 ? 0.9063 0.7534 0.7979 0.1074 -0.0356 -0.0133 43 ILE C CG2 +8684 C CD1 . ILE C 25 ? 1.0046 0.8453 0.8916 0.0944 -0.0342 -0.0093 43 ILE C CD1 +8685 N N . ASN C 26 ? 0.9079 0.7307 0.7818 0.1184 -0.0361 -0.0143 44 ASN C N +8686 C CA . ASN C 26 ? 0.9541 0.7777 0.8283 0.1257 -0.0376 -0.0156 44 ASN C CA +8687 C C . ASN C 26 ? 1.0753 0.8883 0.9420 0.1290 -0.0369 -0.0162 44 ASN C C +8688 O O . ASN C 26 ? 1.0212 0.8295 0.8841 0.1348 -0.0386 -0.0165 44 ASN C O +8689 C CB . ASN C 26 ? 0.8937 0.7161 0.7663 0.1285 -0.0408 -0.0144 44 ASN C CB +8690 C CG . ASN C 26 ? 1.0967 0.9300 0.9769 0.1258 -0.0417 -0.0140 44 ASN C CG +8691 O OD1 . ASN C 26 ? 1.0536 0.8987 0.9426 0.1260 -0.0410 -0.0157 44 ASN C OD1 +8692 N ND2 . ASN C 26 ? 0.9364 0.7657 0.8132 0.1230 -0.0431 -0.0118 44 ASN C ND2 +8693 N N . LEU C 27 ? 1.0574 0.8662 0.9216 0.1254 -0.0344 -0.0165 45 LEU C N +8694 C CA . LEU C 27 ? 0.8981 0.6973 0.7555 0.1279 -0.0334 -0.0173 45 LEU C CA +8695 C C . LEU C 27 ? 1.0208 0.8265 0.8832 0.1275 -0.0307 -0.0195 45 LEU C C +8696 O O . LEU C 27 ? 0.9227 0.7249 0.7828 0.1232 -0.0286 -0.0195 45 LEU C O +8697 C CB . LEU C 27 ? 0.9578 0.7442 0.8062 0.1237 -0.0331 -0.0154 45 LEU C CB +8698 C CG . LEU C 27 ? 0.9985 0.7767 0.8407 0.1246 -0.0355 -0.0132 45 LEU C CG +8699 C CD1 . LEU C 27 ? 0.9304 0.6965 0.7642 0.1198 -0.0348 -0.0114 45 LEU C CD1 +8700 C CD2 . LEU C 27 ? 1.0224 0.7959 0.8608 0.1322 -0.0372 -0.0139 45 LEU C CD2 +8701 N N . SER C 28 ? 0.8742 0.6895 0.7434 0.1320 -0.0308 -0.0215 46 SER C N +8702 C CA . SER C 28 ? 0.9086 0.7324 0.7841 0.1315 -0.0282 -0.0236 46 SER C CA +8703 C C . SER C 28 ? 0.9374 0.7528 0.8069 0.1313 -0.0260 -0.0245 46 SER C C +8704 O O . SER C 28 ? 1.0386 0.8577 0.9107 0.1280 -0.0235 -0.0253 46 SER C O +8705 C CB . SER C 28 ? 1.0337 0.8676 0.9164 0.1373 -0.0287 -0.0256 46 SER C CB +8706 O OG . SER C 28 ? 1.0060 0.8334 0.8838 0.1439 -0.0305 -0.0261 46 SER C OG +8707 N N . GLY C 29 ? 0.9853 0.7892 0.8464 0.1350 -0.0269 -0.0242 47 GLY C N +8708 C CA . GLY C 29 ? 0.8847 0.6806 0.7401 0.1353 -0.0250 -0.0253 47 GLY C CA +8709 C C . GLY C 29 ? 0.9500 0.7390 0.8006 0.1286 -0.0237 -0.0240 47 GLY C C +8710 O O . GLY C 29 ? 0.8947 0.6835 0.7451 0.1263 -0.0214 -0.0251 47 GLY C O +8711 N N . LYS C 30 ? 0.8535 0.6366 0.7001 0.1253 -0.0253 -0.0217 48 LYS C N +8712 C CA . LYS C 30 ? 0.9636 0.7423 0.8073 0.1184 -0.0242 -0.0204 48 LYS C CA +8713 C C . LYS C 30 ? 1.0190 0.8093 0.8710 0.1137 -0.0228 -0.0206 48 LYS C C +8714 O O . LYS C 30 ? 0.9870 0.7763 0.8382 0.1090 -0.0211 -0.0207 48 LYS C O +8715 C CB . LYS C 30 ? 0.8819 0.6524 0.7199 0.1160 -0.0261 -0.0179 48 LYS C CB +8716 C CG . LYS C 30 ? 1.0591 0.8148 0.8868 0.1176 -0.0265 -0.0175 48 LYS C CG +8717 C CD . LYS C 30 ? 1.0076 0.7552 0.8296 0.1150 -0.0281 -0.0150 48 LYS C CD +8718 C CE . LYS C 30 ? 1.0380 0.7711 0.8501 0.1140 -0.0277 -0.0145 48 LYS C CE +8719 N NZ . LYS C 30 ? 1.0213 0.7486 0.8291 0.1202 -0.0276 -0.0162 48 LYS C NZ +8720 N N . LEU C 31 ? 0.8821 0.6835 0.7420 0.1149 -0.0237 -0.0207 49 LEU C N +8721 C CA . LEU C 31 ? 0.8567 0.6689 0.7243 0.1105 -0.0224 -0.0209 49 LEU C CA +8722 C C . LEU C 31 ? 0.9788 0.7959 0.8496 0.1109 -0.0197 -0.0231 49 LEU C C +8723 O O . LEU C 31 ? 0.8641 0.6849 0.7374 0.1061 -0.0179 -0.0231 49 LEU C O +8724 C CB . LEU C 31 ? 0.8398 0.6626 0.7150 0.1119 -0.0239 -0.0207 49 LEU C CB +8725 C CG . LEU C 31 ? 0.9729 0.8063 0.8557 0.1070 -0.0228 -0.0205 49 LEU C CG +8726 C CD1 . LEU C 31 ? 0.8286 0.6570 0.7079 0.1005 -0.0224 -0.0187 49 LEU C CD1 +8727 C CD2 . LEU C 31 ? 0.8410 0.6840 0.7307 0.1082 -0.0245 -0.0202 49 LEU C CD2 +8728 N N . LEU C 32 ? 0.9118 0.7288 0.7824 0.1167 -0.0193 -0.0249 50 LEU C N +8729 C CA . LEU C 32 ? 0.8696 0.6895 0.7419 0.1174 -0.0166 -0.0270 50 LEU C CA +8730 C C . LEU C 32 ? 0.8678 0.6782 0.7331 0.1135 -0.0152 -0.0267 50 LEU C C +8731 O O . LEU C 32 ? 0.8362 0.6503 0.7037 0.1100 -0.0130 -0.0274 50 LEU C O +8732 C CB . LEU C 32 ? 0.9961 0.8160 0.8682 0.1246 -0.0166 -0.0289 50 LEU C CB +8733 C CG . LEU C 32 ? 1.0745 0.8965 0.9476 0.1262 -0.0137 -0.0313 50 LEU C CG +8734 C CD1 . LEU C 32 ? 0.8258 0.6612 0.7083 0.1239 -0.0117 -0.0322 50 LEU C CD1 +8735 C CD2 . LEU C 32 ? 0.9959 0.8158 0.8675 0.1337 -0.0140 -0.0330 50 LEU C CD2 +8736 N N . GLY C 33 ? 0.8240 0.6221 0.6806 0.1140 -0.0164 -0.0257 51 GLY C N +8737 C CA . GLY C 33 ? 0.9572 0.7459 0.8070 0.1103 -0.0154 -0.0255 51 GLY C CA +8738 C C . GLY C 33 ? 1.0249 0.8167 0.8769 0.1032 -0.0147 -0.0243 51 GLY C C +8739 O O . GLY C 33 ? 0.8697 0.6612 0.7210 0.1002 -0.0128 -0.0251 51 GLY C O +8740 N N . ALA C 34 ? 0.9854 0.7803 0.8401 0.1006 -0.0162 -0.0225 52 ALA C N +8741 C CA . ALA C 34 ? 0.9272 0.7251 0.7840 0.0940 -0.0157 -0.0213 52 ALA C CA +8742 C C . ALA C 34 ? 0.9379 0.7463 0.8016 0.0925 -0.0136 -0.0226 52 ALA C C +8743 O O . ALA C 34 ? 0.9109 0.7190 0.7740 0.0881 -0.0122 -0.0226 52 ALA C O +8744 C CB . ALA C 34 ? 0.9225 0.7229 0.7815 0.0922 -0.0177 -0.0192 52 ALA C CB +8745 N N . HIS C 35 ? 0.7694 0.5869 0.6395 0.0963 -0.0133 -0.0238 53 HIS C N +8746 C CA . HIS C 35 ? 0.7213 0.5490 0.5982 0.0949 -0.0111 -0.0250 53 HIS C CA +8747 C C . HIS C 35 ? 0.9215 0.7461 0.7953 0.0954 -0.0087 -0.0268 53 HIS C C +8748 O O . HIS C 35 ? 0.8564 0.6847 0.7323 0.0918 -0.0068 -0.0272 53 HIS C O +8749 C CB . HIS C 35 ? 0.7676 0.6057 0.6522 0.0989 -0.0113 -0.0260 53 HIS C CB +8750 C CG . HIS C 35 ? 0.9295 0.7742 0.8193 0.0968 -0.0130 -0.0245 53 HIS C CG +8751 N ND1 . HIS C 35 ? 0.9884 0.8322 0.8780 0.0996 -0.0156 -0.0236 53 HIS C ND1 +8752 C CD2 . HIS C 35 ? 0.8757 0.7274 0.7705 0.0921 -0.0125 -0.0237 53 HIS C CD2 +8753 C CE1 . HIS C 35 ? 0.9341 0.7841 0.8284 0.0967 -0.0166 -0.0224 53 HIS C CE1 +8754 N NE2 . HIS C 35 ? 0.9053 0.7603 0.8029 0.0921 -0.0147 -0.0224 53 HIS C NE2 +8755 N N . VAL C 36 ? 0.9566 0.7742 0.8254 0.1000 -0.0087 -0.0279 54 VAL C N +8756 C CA . VAL C 36 ? 0.9843 0.7987 0.8500 0.1009 -0.0064 -0.0297 54 VAL C CA +8757 C C . VAL C 36 ? 0.8232 0.6287 0.6821 0.0961 -0.0062 -0.0290 54 VAL C C +8758 O O . VAL C 36 ? 0.8840 0.6905 0.7427 0.0936 -0.0042 -0.0298 54 VAL C O +8759 C CB . VAL C 36 ? 1.0773 0.8869 0.9395 0.1075 -0.0066 -0.0312 54 VAL C CB +8760 C CG1 . VAL C 36 ? 0.8992 0.7045 0.7573 0.1084 -0.0042 -0.0331 54 VAL C CG1 +8761 C CG2 . VAL C 36 ? 0.9979 0.8177 0.8677 0.1122 -0.0068 -0.0321 54 VAL C CG2 +8762 N N . ALA C 37 ? 0.8608 0.6574 0.7141 0.0947 -0.0082 -0.0274 55 ALA C N +8763 C CA . ALA C 37 ? 0.9878 0.7764 0.8353 0.0898 -0.0082 -0.0266 55 ALA C CA +8764 C C . ALA C 37 ? 0.9793 0.7748 0.8313 0.0841 -0.0073 -0.0260 55 ALA C C +8765 O O . ALA C 37 ? 0.9368 0.7295 0.7860 0.0808 -0.0062 -0.0264 55 ALA C O +8766 C CB . ALA C 37 ? 0.9023 0.6816 0.7441 0.0889 -0.0105 -0.0248 55 ALA C CB +8767 N N . HIS C 38 ? 0.8048 0.6093 0.6636 0.0831 -0.0080 -0.0249 56 HIS C N +8768 C CA . HIS C 38 ? 0.8277 0.6386 0.6907 0.0779 -0.0073 -0.0242 56 HIS C CA +8769 C C . HIS C 38 ? 0.8696 0.6871 0.7362 0.0778 -0.0047 -0.0259 56 HIS C C +8770 O O . HIS C 38 ? 0.8459 0.6639 0.7120 0.0736 -0.0036 -0.0258 56 HIS C O +8771 C CB . HIS C 38 ? 0.7189 0.5376 0.5882 0.0771 -0.0086 -0.0227 56 HIS C CB +8772 C CG . HIS C 38 ? 0.7986 0.6243 0.6726 0.0720 -0.0079 -0.0220 56 HIS C CG +8773 N ND1 . HIS C 38 ? 0.7786 0.6142 0.6590 0.0719 -0.0062 -0.0229 56 HIS C ND1 +8774 C CD2 . HIS C 38 ? 0.6804 0.5042 0.5532 0.0669 -0.0087 -0.0204 56 HIS C CD2 +8775 C CE1 . HIS C 38 ? 0.8331 0.6723 0.7159 0.0670 -0.0059 -0.0219 56 HIS C CE1 +8776 N NE2 . HIS C 38 ? 0.8370 0.6693 0.7152 0.0640 -0.0075 -0.0204 56 HIS C NE2 +8777 N N . ALA C 39 ? 0.7939 0.6168 0.6641 0.0825 -0.0036 -0.0274 57 ALA C N +8778 C CA . ALA C 39 ? 0.8256 0.6542 0.6987 0.0826 -0.0008 -0.0291 57 ALA C CA +8779 C C . ALA C 39 ? 0.9455 0.7658 0.8115 0.0816 0.0004 -0.0300 57 ALA C C +8780 O O . ALA C 39 ? 0.8509 0.6736 0.7174 0.0789 0.0022 -0.0306 57 ALA C O +8781 C CB . ALA C 39 ? 0.8489 0.6840 0.7267 0.0882 0.0001 -0.0307 57 ALA C CB +8782 N N . GLY C 40 ? 1.0128 0.8228 0.8718 0.0836 -0.0008 -0.0302 58 GLY C N +8783 C CA . GLY C 40 ? 0.9964 0.7976 0.8482 0.0823 0.0000 -0.0310 58 GLY C CA +8784 C C . GLY C 40 ? 0.8743 0.6737 0.7244 0.0761 -0.0003 -0.0298 58 GLY C C +8785 O O . GLY C 40 ? 0.8717 0.6692 0.7191 0.0741 0.0011 -0.0308 58 GLY C O +8786 N N . LEU C 41 ? 0.8841 0.6840 0.7357 0.0730 -0.0022 -0.0278 59 LEU C N +8787 C CA . LEU C 41 ? 0.8156 0.6149 0.6665 0.0671 -0.0026 -0.0267 59 LEU C CA +8788 C C . LEU C 41 ? 0.7822 0.5905 0.6382 0.0649 -0.0007 -0.0272 59 LEU C C +8789 O O . LEU C 41 ? 0.8219 0.6285 0.6756 0.0615 0.0000 -0.0274 59 LEU C O +8790 C CB . LEU C 41 ? 0.9055 0.7049 0.7578 0.0646 -0.0048 -0.0245 59 LEU C CB +8791 C CG . LEU C 41 ? 0.9338 0.7227 0.7798 0.0648 -0.0067 -0.0237 59 LEU C CG +8792 C CD1 . LEU C 41 ? 0.8365 0.6265 0.6845 0.0623 -0.0086 -0.0215 59 LEU C CD1 +8793 C CD2 . LEU C 41 ? 0.8547 0.6345 0.6937 0.0621 -0.0066 -0.0243 59 LEU C CD2 +8794 N N . ILE C 42 ? 0.7877 0.6057 0.6507 0.0670 0.0002 -0.0274 60 ILE C N +8795 C CA . ILE C 42 ? 0.7154 0.5419 0.5834 0.0650 0.0022 -0.0278 60 ILE C CA +8796 C C . ILE C 42 ? 0.8330 0.6572 0.6976 0.0660 0.0045 -0.0297 60 ILE C C +8797 O O . ILE C 42 ? 0.8422 0.6668 0.7057 0.0626 0.0056 -0.0298 60 ILE C O +8798 C CB . ILE C 42 ? 0.7689 0.6058 0.6449 0.0674 0.0027 -0.0279 60 ILE C CB +8799 C CG1 . ILE C 42 ? 0.7920 0.6313 0.6713 0.0663 0.0004 -0.0260 60 ILE C CG1 +8800 C CG2 . ILE C 42 ? 0.7039 0.5494 0.5849 0.0652 0.0050 -0.0283 60 ILE C CG2 +8801 C CD1 . ILE C 42 ? 0.8185 0.6683 0.7058 0.0683 0.0007 -0.0262 60 ILE C CD1 +8802 N N . VAL C 43 ? 0.8314 0.6531 0.6941 0.0709 0.0053 -0.0312 61 VAL C N +8803 C CA . VAL C 43 ? 0.7798 0.5994 0.6393 0.0723 0.0076 -0.0331 61 VAL C CA +8804 C C . VAL C 43 ? 0.8183 0.6279 0.6697 0.0695 0.0070 -0.0332 61 VAL C C +8805 O O . VAL C 43 ? 0.7807 0.5898 0.6299 0.0680 0.0087 -0.0341 61 VAL C O +8806 C CB . VAL C 43 ? 1.0051 0.8240 0.8643 0.0784 0.0084 -0.0347 61 VAL C CB +8807 C CG1 . VAL C 43 ? 0.8385 0.6538 0.6932 0.0802 0.0108 -0.0368 61 VAL C CG1 +8808 C CG2 . VAL C 43 ? 0.8794 0.7095 0.7473 0.0808 0.0092 -0.0349 61 VAL C CG2 +8809 N N . PHE C 44 ? 0.8513 0.6532 0.6985 0.0685 0.0046 -0.0322 62 PHE C N +8810 C CA . PHE C 44 ? 0.7406 0.5332 0.5806 0.0655 0.0038 -0.0322 62 PHE C CA +8811 C C . PHE C 44 ? 0.8446 0.6406 0.6859 0.0603 0.0041 -0.0315 62 PHE C C +8812 O O . PHE C 44 ? 0.8426 0.6356 0.6799 0.0588 0.0052 -0.0326 62 PHE C O +8813 C CB . PHE C 44 ? 0.7756 0.5606 0.6119 0.0647 0.0012 -0.0309 62 PHE C CB +8814 C CG . PHE C 44 ? 0.9277 0.7028 0.7566 0.0618 0.0003 -0.0312 62 PHE C CG +8815 C CD1 . PHE C 44 ? 0.9086 0.6839 0.7372 0.0564 -0.0004 -0.0303 62 PHE C CD1 +8816 C CD2 . PHE C 44 ? 0.9615 0.7269 0.7836 0.0644 0.0001 -0.0323 62 PHE C CD2 +8817 C CE1 . PHE C 44 ? 1.0420 0.8086 0.8642 0.0536 -0.0013 -0.0306 62 PHE C CE1 +8818 C CE2 . PHE C 44 ? 1.0806 0.8368 0.8959 0.0615 -0.0008 -0.0327 62 PHE C CE2 +8819 C CZ . PHE C 44 ? 1.0265 0.7835 0.8419 0.0561 -0.0015 -0.0318 62 PHE C CZ +8820 N N . TRP C 45 ? 0.9332 0.7351 0.7797 0.0575 0.0031 -0.0298 63 TRP C N +8821 C CA . TRP C 45 ? 0.8706 0.6756 0.7183 0.0526 0.0031 -0.0290 63 TRP C CA +8822 C C . TRP C 45 ? 0.8270 0.6373 0.6763 0.0528 0.0058 -0.0302 63 TRP C C +8823 O O . TRP C 45 ? 0.8112 0.6190 0.6571 0.0501 0.0062 -0.0306 63 TRP C O +8824 C CB . TRP C 45 ? 0.8497 0.6610 0.7033 0.0503 0.0018 -0.0270 63 TRP C CB +8825 C CG . TRP C 45 ? 0.8323 0.6474 0.6876 0.0456 0.0020 -0.0262 63 TRP C CG +8826 C CD1 . TRP C 45 ? 0.7621 0.5730 0.6145 0.0414 0.0004 -0.0253 63 TRP C CD1 +8827 C CD2 . TRP C 45 ? 0.7627 0.5862 0.6229 0.0447 0.0038 -0.0263 63 TRP C CD2 +8828 N NE1 . TRP C 45 ? 0.7711 0.5874 0.6262 0.0382 0.0010 -0.0248 63 TRP C NE1 +8829 C CE2 . TRP C 45 ? 0.8845 0.7083 0.7441 0.0401 0.0031 -0.0254 63 TRP C CE2 +8830 C CE3 . TRP C 45 ? 0.7485 0.5794 0.6134 0.0474 0.0059 -0.0271 63 TRP C CE3 +8831 C CZ2 . TRP C 45 ? 0.7756 0.6064 0.6389 0.0382 0.0046 -0.0252 63 TRP C CZ2 +8832 C CZ3 . TRP C 45 ? 0.7583 0.5962 0.6271 0.0452 0.0075 -0.0269 63 TRP C CZ3 +8833 C CH2 . TRP C 45 ? 0.8044 0.6419 0.6721 0.0407 0.0068 -0.0259 63 TRP C CH2 +8834 N N . ALA C 46 ? 0.8017 0.6191 0.6560 0.0561 0.0076 -0.0309 64 ALA C N +8835 C CA . ALA C 46 ? 0.7653 0.5877 0.6212 0.0564 0.0104 -0.0321 64 ALA C CA +8836 C C . ALA C 46 ? 0.8953 0.7104 0.7440 0.0573 0.0115 -0.0338 64 ALA C C +8837 O O . ALA C 46 ? 0.8479 0.6634 0.6948 0.0550 0.0129 -0.0342 64 ALA C O +8838 C CB . ALA C 46 ? 0.7746 0.6049 0.6366 0.0603 0.0121 -0.0328 64 ALA C CB +8839 N N . GLY C 47 ? 0.8803 0.6884 0.7246 0.0606 0.0110 -0.0347 65 GLY C N +8840 C CA . GLY C 47 ? 0.7923 0.5930 0.6294 0.0616 0.0120 -0.0365 65 GLY C CA +8841 C C . GLY C 47 ? 0.8001 0.5936 0.6314 0.0574 0.0104 -0.0361 65 GLY C C +8842 O O . GLY C 47 ? 0.7755 0.5674 0.6034 0.0558 0.0115 -0.0369 65 GLY C O +8843 N N . ALA C 48 ? 0.8144 0.6039 0.6447 0.0553 0.0077 -0.0347 66 ALA C N +8844 C CA . ALA C 48 ? 0.8239 0.6067 0.6491 0.0512 0.0060 -0.0344 66 ALA C CA +8845 C C . ALA C 48 ? 0.9285 0.7165 0.7561 0.0470 0.0062 -0.0336 66 ALA C C +8846 O O . ALA C 48 ? 0.8644 0.6482 0.6873 0.0445 0.0059 -0.0342 66 ALA C O +8847 C CB . ALA C 48 ? 0.8932 0.6714 0.7176 0.0499 0.0033 -0.0330 66 ALA C CB +8848 N N . MET C 49 ? 0.8447 0.6415 0.6793 0.0460 0.0064 -0.0322 67 MET C N +8849 C CA . MET C 49 ? 0.8300 0.6314 0.6667 0.0420 0.0064 -0.0313 67 MET C CA +8850 C C . MET C 49 ? 0.8259 0.6289 0.6609 0.0424 0.0089 -0.0327 67 MET C C +8851 O O . MET C 49 ? 0.8785 0.6800 0.7107 0.0393 0.0087 -0.0327 67 MET C O +8852 C CB . MET C 49 ? 0.7817 0.5921 0.6262 0.0411 0.0063 -0.0297 67 MET C CB +8853 C CG . MET C 49 ? 0.7366 0.5508 0.5832 0.0366 0.0058 -0.0285 67 MET C CG +8854 S SD . MET C 49 ? 0.8454 0.6543 0.6896 0.0324 0.0025 -0.0271 67 MET C SD +8855 C CE . MET C 49 ? 0.7863 0.5899 0.6241 0.0297 0.0023 -0.0281 67 MET C CE +8856 N N . THR C 50 ? 0.7588 0.5648 0.5953 0.0463 0.0114 -0.0339 68 THR C N +8857 C CA . THR C 50 ? 0.7838 0.5908 0.6182 0.0470 0.0140 -0.0353 68 THR C CA +8858 C C . THR C 50 ? 0.9794 0.7771 0.8053 0.0462 0.0135 -0.0365 68 THR C C +8859 O O . THR C 50 ? 0.8202 0.6175 0.6434 0.0440 0.0142 -0.0369 68 THR C O +8860 C CB . THR C 50 ? 0.7633 0.5739 0.6001 0.0517 0.0167 -0.0366 68 THR C CB +8861 O OG1 . THR C 50 ? 0.8199 0.6394 0.6648 0.0522 0.0171 -0.0355 68 THR C OG1 +8862 C CG2 . THR C 50 ? 0.7416 0.5535 0.5763 0.0522 0.0197 -0.0380 68 THR C CG2 +8863 N N . LEU C 51 ? 0.8766 0.6666 0.6981 0.0480 0.0121 -0.0373 69 LEU C N +8864 C CA . LEU C 51 ? 0.8621 0.6430 0.6754 0.0472 0.0115 -0.0386 69 LEU C CA +8865 C C . LEU C 51 ? 0.8162 0.5951 0.6277 0.0423 0.0093 -0.0377 69 LEU C C +8866 O O . LEU C 51 ? 0.8643 0.6398 0.6710 0.0407 0.0095 -0.0386 69 LEU C O +8867 C CB . LEU C 51 ? 0.8737 0.6466 0.6828 0.0498 0.0103 -0.0394 69 LEU C CB +8868 C CG . LEU C 51 ? 1.0194 0.7927 0.8287 0.0552 0.0126 -0.0408 69 LEU C CG +8869 C CD1 . LEU C 51 ? 0.9786 0.7432 0.7832 0.0575 0.0111 -0.0414 69 LEU C CD1 +8870 C CD2 . LEU C 51 ? 0.9801 0.7530 0.7858 0.0566 0.0153 -0.0426 69 LEU C CD2 +8871 N N . PHE C 52 ? 0.8824 0.6630 0.6975 0.0398 0.0071 -0.0359 70 PHE C N +8872 C CA . PHE C 52 ? 0.9004 0.6803 0.7149 0.0351 0.0050 -0.0349 70 PHE C CA +8873 C C . PHE C 52 ? 0.8399 0.6255 0.6559 0.0333 0.0064 -0.0347 70 PHE C C +8874 O O . PHE C 52 ? 0.8649 0.6473 0.6766 0.0309 0.0057 -0.0352 70 PHE C O +8875 C CB . PHE C 52 ? 0.8352 0.6176 0.6544 0.0332 0.0030 -0.0329 70 PHE C CB +8876 C CG . PHE C 52 ? 0.8607 0.6426 0.6797 0.0284 0.0007 -0.0319 70 PHE C CG +8877 C CD1 . PHE C 52 ? 0.8634 0.6520 0.6859 0.0259 0.0011 -0.0309 70 PHE C CD1 +8878 C CD2 . PHE C 52 ? 0.7477 0.5229 0.5633 0.0264 -0.0017 -0.0318 70 PHE C CD2 +8879 C CE1 . PHE C 52 ? 0.7416 0.5301 0.5642 0.0218 -0.0010 -0.0300 70 PHE C CE1 +8880 C CE2 . PHE C 52 ? 0.8638 0.6391 0.6797 0.0220 -0.0037 -0.0309 70 PHE C CE2 +8881 C CZ . PHE C 52 ? 0.8766 0.6587 0.6961 0.0198 -0.0034 -0.0300 70 PHE C CZ +8882 N N . GLU C 53 ? 0.8396 0.6334 0.6615 0.0346 0.0084 -0.0341 71 GLU C N +8883 C CA . GLU C 53 ? 0.8477 0.6468 0.6710 0.0329 0.0099 -0.0338 71 GLU C CA +8884 C C . GLU C 53 ? 0.9291 0.7239 0.7460 0.0339 0.0115 -0.0357 71 GLU C C +8885 O O . GLU C 53 ? 0.8097 0.6037 0.6237 0.0313 0.0112 -0.0357 71 GLU C O +8886 C CB . GLU C 53 ? 0.7108 0.5190 0.5412 0.0344 0.0120 -0.0331 71 GLU C CB +8887 C CG . GLU C 53 ? 0.7801 0.5937 0.6170 0.0326 0.0104 -0.0311 71 GLU C CG +8888 C CD . GLU C 53 ? 0.8071 0.6300 0.6509 0.0335 0.0125 -0.0305 71 GLU C CD +8889 O OE1 . GLU C 53 ? 0.7816 0.6071 0.6255 0.0353 0.0154 -0.0316 71 GLU C OE1 +8890 O OE2 . GLU C 53 ? 0.7303 0.5580 0.5796 0.0322 0.0114 -0.0290 71 GLU C OE2 +8891 N N . LEU C 54 ? 0.8902 0.6819 0.7045 0.0376 0.0131 -0.0372 72 LEU C N +8892 C CA . LEU C 54 ? 0.8459 0.6335 0.6541 0.0390 0.0150 -0.0390 72 LEU C CA +8893 C C . LEU C 54 ? 0.8414 0.6206 0.6423 0.0367 0.0127 -0.0398 72 LEU C C +8894 O O . LEU C 54 ? 0.8446 0.6222 0.6413 0.0354 0.0132 -0.0405 72 LEU C O +8895 C CB . LEU C 54 ? 0.8356 0.6216 0.6428 0.0437 0.0170 -0.0406 72 LEU C CB +8896 C CG . LEU C 54 ? 1.0160 0.7979 0.8167 0.0454 0.0193 -0.0425 72 LEU C CG +8897 C CD1 . LEU C 54 ? 0.8353 0.6231 0.6376 0.0440 0.0216 -0.0422 72 LEU C CD1 +8898 C CD2 . LEU C 54 ? 0.9446 0.7249 0.7443 0.0502 0.0214 -0.0441 72 LEU C CD2 +8899 N N . ALA C 55 ? 0.8393 0.6130 0.6385 0.0362 0.0101 -0.0397 73 ALA C N +8900 C CA . ALA C 55 ? 0.8065 0.5724 0.5993 0.0337 0.0077 -0.0404 73 ALA C CA +8901 C C . ALA C 55 ? 0.8542 0.6227 0.6477 0.0294 0.0062 -0.0394 73 ALA C C +8902 O O . ALA C 55 ? 0.9000 0.6636 0.6878 0.0277 0.0052 -0.0404 73 ALA C O +8903 C CB . ALA C 55 ? 0.8429 0.6034 0.6350 0.0333 0.0052 -0.0401 73 ALA C CB +8904 N N . HIS C 56 ? 0.8616 0.6375 0.6617 0.0278 0.0061 -0.0376 74 HIS C N +8905 C CA . HIS C 56 ? 0.9421 0.7208 0.7435 0.0239 0.0045 -0.0364 74 HIS C CA +8906 C C . HIS C 56 ? 0.9895 0.7734 0.7916 0.0238 0.0067 -0.0363 74 HIS C C +8907 O O . HIS C 56 ? 1.1829 0.9698 0.9865 0.0209 0.0057 -0.0352 74 HIS C O +8908 C CB . HIS C 56 ? 0.8687 0.6520 0.6766 0.0220 0.0028 -0.0344 74 HIS C CB +8909 C CG . HIS C 56 ? 0.8950 0.6728 0.7015 0.0208 0.0002 -0.0343 74 HIS C CG +8910 N ND1 . HIS C 56 ? 0.8960 0.6731 0.7031 0.0170 -0.0025 -0.0334 74 HIS C ND1 +8911 C CD2 . HIS C 56 ? 0.8202 0.5925 0.6245 0.0229 0.0000 -0.0351 74 HIS C CD2 +8912 C CE1 . HIS C 56 ? 0.9137 0.6852 0.7191 0.0167 -0.0042 -0.0336 74 HIS C CE1 +8913 N NE2 . HIS C 56 ? 0.8333 0.6016 0.6368 0.0203 -0.0028 -0.0346 74 HIS C NE2 +8914 N N . PHE C 57 ? 0.8720 0.6567 0.6730 0.0270 0.0098 -0.0373 75 PHE C N +8915 C CA . PHE C 57 ? 0.9192 0.7096 0.7220 0.0272 0.0125 -0.0370 75 PHE C CA +8916 C C . PHE C 57 ? 0.9148 0.7008 0.7103 0.0267 0.0130 -0.0383 75 PHE C C +8917 O O . PHE C 57 ? 0.9556 0.7352 0.7451 0.0285 0.0134 -0.0401 75 PHE C O +8918 C CB . PHE C 57 ? 0.8253 0.6197 0.6315 0.0309 0.0157 -0.0375 75 PHE C CB +8919 C CG . PHE C 57 ? 0.8637 0.6636 0.6715 0.0315 0.0189 -0.0374 75 PHE C CG +8920 C CD1 . PHE C 57 ? 0.8527 0.6596 0.6659 0.0293 0.0193 -0.0357 75 PHE C CD1 +8921 C CD2 . PHE C 57 ? 0.9502 0.7482 0.7540 0.0342 0.0219 -0.0390 75 PHE C CD2 +8922 C CE1 . PHE C 57 ? 0.8910 0.7028 0.7056 0.0297 0.0225 -0.0357 75 PHE C CE1 +8923 C CE2 . PHE C 57 ? 1.0504 0.8534 0.8556 0.0346 0.0252 -0.0390 75 PHE C CE2 +8924 C CZ . PHE C 57 ? 0.9774 0.7872 0.7880 0.0323 0.0255 -0.0373 75 PHE C CZ +8925 N N . ILE C 58 ? 0.8986 0.6876 0.6943 0.0243 0.0130 -0.0374 76 ILE C N +8926 C CA . ILE C 58 ? 0.9614 0.7474 0.7508 0.0239 0.0138 -0.0383 76 ILE C CA +8927 C C . ILE C 58 ? 0.9318 0.7236 0.7235 0.0251 0.0176 -0.0379 76 ILE C C +8928 O O . ILE C 58 ? 0.8839 0.6820 0.6809 0.0234 0.0179 -0.0363 76 ILE C O +8929 C CB . ILE C 58 ? 1.0022 0.7870 0.7897 0.0202 0.0107 -0.0376 76 ILE C CB +8930 C CG1 . ILE C 58 ? 1.1003 0.8783 0.8839 0.0189 0.0073 -0.0385 76 ILE C CG1 +8931 C CG2 . ILE C 58 ? 0.9075 0.6910 0.6895 0.0198 0.0120 -0.0381 76 ILE C CG2 +8932 C CD1 . ILE C 58 ? 1.2736 1.0528 1.0624 0.0179 0.0051 -0.0375 76 ILE C CD1 +8933 N N . PRO C 59 ? 0.9271 0.7171 0.7151 0.0278 0.0206 -0.0394 77 PRO C N +8934 C CA . PRO C 59 ? 0.9150 0.7109 0.7058 0.0290 0.0246 -0.0391 77 PRO C CA +8935 C C . PRO C 59 ? 0.9132 0.7115 0.7031 0.0265 0.0251 -0.0380 77 PRO C C +8936 O O . PRO C 59 ? 1.0016 0.8059 0.7956 0.0266 0.0279 -0.0372 77 PRO C O +8937 C CB . PRO C 59 ? 0.9935 0.7852 0.7789 0.0323 0.0274 -0.0411 77 PRO C CB +8938 C CG . PRO C 59 ? 1.0700 0.8545 0.8512 0.0332 0.0250 -0.0424 77 PRO C CG +8939 C CD . PRO C 59 ? 0.9780 0.7602 0.7588 0.0299 0.0207 -0.0415 77 PRO C CD +8940 N N . GLU C 60 ? 0.9478 0.7414 0.7322 0.0243 0.0225 -0.0380 78 GLU C N +8941 C CA . GLU C 60 ? 0.9659 0.7611 0.7487 0.0221 0.0227 -0.0370 78 GLU C CA +8942 C C . GLU C 60 ? 0.9048 0.7057 0.6942 0.0194 0.0209 -0.0349 78 GLU C C +8943 O O . GLU C 60 ? 0.9873 0.7905 0.7764 0.0178 0.0215 -0.0339 78 GLU C O +8944 C CB . GLU C 60 ? 0.9059 0.6939 0.6802 0.0210 0.0204 -0.0380 78 GLU C CB +8945 C CG . GLU C 60 ? 1.0494 0.8316 0.8160 0.0234 0.0224 -0.0400 78 GLU C CG +8946 C CD . GLU C 60 ? 0.9617 0.7394 0.7269 0.0254 0.0216 -0.0415 78 GLU C CD +8947 O OE1 . GLU C 60 ? 0.9734 0.7503 0.7413 0.0243 0.0185 -0.0412 78 GLU C OE1 +8948 O OE2 . GLU C 60 ? 1.3339 1.1088 1.0953 0.0282 0.0243 -0.0431 78 GLU C OE2 +8949 N N . LYS C 61 ? 0.8944 0.6970 0.6890 0.0189 0.0186 -0.0343 79 LYS C N +8950 C CA . LYS C 61 ? 0.9037 0.7121 0.7050 0.0166 0.0172 -0.0324 79 LYS C CA +8951 C C . LYS C 61 ? 0.9248 0.7401 0.7333 0.0179 0.0199 -0.0316 79 LYS C C +8952 O O . LYS C 61 ? 0.8320 0.6473 0.6419 0.0205 0.0214 -0.0326 79 LYS C O +8953 C CB . LYS C 61 ? 0.8783 0.6848 0.6813 0.0152 0.0133 -0.0320 79 LYS C CB +8954 C CG . LYS C 61 ? 1.0282 0.8294 0.8258 0.0131 0.0100 -0.0324 79 LYS C CG +8955 C CD . LYS C 61 ? 0.9400 0.7399 0.7401 0.0116 0.0066 -0.0321 79 LYS C CD +8956 C CE . LYS C 61 ? 0.8671 0.6725 0.6732 0.0091 0.0050 -0.0302 79 LYS C CE +8957 N NZ . LYS C 61 ? 1.0743 0.8784 0.8830 0.0079 0.0020 -0.0299 79 LYS C NZ +8958 N N . PRO C 62 ? 0.8346 0.6558 0.6478 0.0163 0.0206 -0.0300 80 PRO C N +8959 C CA . PRO C 62 ? 0.7799 0.6081 0.6008 0.0172 0.0226 -0.0293 80 PRO C CA +8960 C C . PRO C 62 ? 0.8353 0.6640 0.6604 0.0180 0.0206 -0.0292 80 PRO C C +8961 O O . PRO C 62 ? 0.7653 0.5912 0.5898 0.0164 0.0172 -0.0288 80 PRO C O +8962 C CB . PRO C 62 ? 0.7873 0.6204 0.6118 0.0146 0.0225 -0.0275 80 PRO C CB +8963 C CG . PRO C 62 ? 0.7655 0.5942 0.5833 0.0129 0.0214 -0.0275 80 PRO C CG +8964 C CD . PRO C 62 ? 0.8329 0.6546 0.6451 0.0134 0.0189 -0.0288 80 PRO C CD +8965 N N . MET C 63 ? 0.7464 0.5785 0.5758 0.0205 0.0227 -0.0297 81 MET C N +8966 C CA . MET C 63 ? 0.7409 0.5741 0.5748 0.0214 0.0210 -0.0295 81 MET C CA +8967 C C . MET C 63 ? 0.8227 0.6587 0.6609 0.0187 0.0182 -0.0277 81 MET C C +8968 O O . MET C 63 ? 0.7738 0.6073 0.6124 0.0183 0.0154 -0.0274 81 MET C O +8969 C CB . MET C 63 ? 0.7361 0.5749 0.5755 0.0241 0.0238 -0.0298 81 MET C CB +8970 C CG . MET C 63 ? 0.8607 0.6966 0.6962 0.0273 0.0264 -0.0317 81 MET C CG +8971 S SD . MET C 63 ? 0.8714 0.7146 0.7141 0.0305 0.0296 -0.0323 81 MET C SD +8972 C CE . MET C 63 ? 0.9362 0.7758 0.7732 0.0337 0.0331 -0.0345 81 MET C CE +8973 N N . TYR C 64 ? 0.8051 0.6462 0.6465 0.0168 0.0189 -0.0264 82 TYR C N +8974 C CA . TYR C 64 ? 0.7998 0.6444 0.6462 0.0146 0.0166 -0.0247 82 TYR C CA +8975 C C . TYR C 64 ? 0.7857 0.6260 0.6286 0.0121 0.0133 -0.0242 82 TYR C C +8976 O O . TYR C 64 ? 0.7963 0.6383 0.6427 0.0105 0.0110 -0.0230 82 TYR C O +8977 C CB . TYR C 64 ? 0.7393 0.5906 0.5903 0.0133 0.0184 -0.0236 82 TYR C CB +8978 C CG . TYR C 64 ? 0.8205 0.6712 0.6675 0.0124 0.0205 -0.0237 82 TYR C CG +8979 C CD1 . TYR C 64 ? 0.6325 0.4809 0.4761 0.0099 0.0188 -0.0229 82 TYR C CD1 +8980 C CD2 . TYR C 64 ? 0.7006 0.5533 0.5475 0.0140 0.0243 -0.0245 82 TYR C CD2 +8981 C CE1 . TYR C 64 ? 0.7178 0.5653 0.5574 0.0092 0.0206 -0.0229 82 TYR C CE1 +8982 C CE2 . TYR C 64 ? 0.7191 0.5710 0.5621 0.0132 0.0263 -0.0245 82 TYR C CE2 +8983 C CZ . TYR C 64 ? 0.7450 0.5941 0.5842 0.0108 0.0244 -0.0237 82 TYR C CZ +8984 O OH . TYR C 64 ? 0.7698 0.6177 0.6046 0.0100 0.0263 -0.0236 82 TYR C OH +8985 N N . GLU C 65 ? 0.7422 0.5766 0.5781 0.0119 0.0129 -0.0252 83 GLU C N +8986 C CA . GLU C 65 ? 0.7608 0.5907 0.5932 0.0097 0.0095 -0.0251 83 GLU C CA +8987 C C . GLU C 65 ? 0.7745 0.5994 0.6051 0.0105 0.0075 -0.0260 83 GLU C C +8988 O O . GLU C 65 ? 0.8441 0.6650 0.6718 0.0087 0.0048 -0.0261 83 GLU C O +8989 C CB . GLU C 65 ? 0.6957 0.5217 0.5214 0.0090 0.0097 -0.0258 83 GLU C CB +8990 C CG . GLU C 65 ? 0.8042 0.6341 0.6309 0.0073 0.0105 -0.0246 83 GLU C CG +8991 C CD . GLU C 65 ? 0.7765 0.6019 0.5960 0.0066 0.0103 -0.0253 83 GLU C CD +8992 O OE1 . GLU C 65 ? 0.8435 0.6631 0.6574 0.0072 0.0092 -0.0267 83 GLU C OE1 +8993 O OE2 . GLU C 65 ? 0.8539 0.6816 0.6731 0.0054 0.0111 -0.0244 83 GLU C OE2 +8994 N N . GLN C 66 ? 0.7499 0.5747 0.5820 0.0132 0.0088 -0.0267 84 GLN C N +8995 C CA . GLN C 66 ? 0.8155 0.6344 0.6446 0.0142 0.0073 -0.0277 84 GLN C CA +8996 C C . GLN C 66 ? 0.8882 0.7089 0.7223 0.0152 0.0065 -0.0271 84 GLN C C +8997 O O . GLN C 66 ? 0.8232 0.6391 0.6550 0.0165 0.0057 -0.0279 84 GLN C O +8998 C CB . GLN C 66 ? 0.7963 0.6111 0.6203 0.0171 0.0095 -0.0296 84 GLN C CB +8999 C CG . GLN C 66 ? 0.8198 0.6319 0.6380 0.0164 0.0103 -0.0304 84 GLN C CG +9000 C CD . GLN C 66 ? 0.9375 0.7452 0.7503 0.0193 0.0125 -0.0323 84 GLN C CD +9001 O OE1 . GLN C 66 ? 0.8289 0.6307 0.6379 0.0203 0.0114 -0.0336 84 GLN C OE1 +9002 N NE2 . GLN C 66 ? 0.8082 0.6189 0.6209 0.0206 0.0158 -0.0326 84 GLN C NE2 +9003 N N . GLY C 67 ? 0.7696 0.5970 0.6102 0.0146 0.0068 -0.0256 85 GLY C N +9004 C CA . GLY C 67 ? 0.7223 0.5513 0.5674 0.0152 0.0057 -0.0248 85 GLY C CA +9005 C C . GLY C 67 ? 0.6890 0.5185 0.5354 0.0189 0.0075 -0.0257 85 GLY C C +9006 O O . GLY C 67 ? 0.7732 0.6003 0.6201 0.0201 0.0063 -0.0257 85 GLY C O +9007 N N . LEU C 68 ? 0.7435 0.5761 0.5905 0.0207 0.0105 -0.0264 86 LEU C N +9008 C CA . LEU C 68 ? 0.7646 0.5976 0.6124 0.0245 0.0125 -0.0276 86 LEU C CA +9009 C C . LEU C 68 ? 0.7914 0.6326 0.6468 0.0254 0.0138 -0.0267 86 LEU C C +9010 O O . LEU C 68 ? 0.8566 0.7031 0.7150 0.0239 0.0150 -0.0260 86 LEU C O +9011 C CB . LEU C 68 ? 0.6884 0.5196 0.5317 0.0260 0.0152 -0.0291 86 LEU C CB +9012 C CG . LEU C 68 ? 0.7788 0.6020 0.6142 0.0250 0.0141 -0.0301 86 LEU C CG +9013 C CD1 . LEU C 68 ? 0.7854 0.6072 0.6167 0.0269 0.0170 -0.0317 86 LEU C CD1 +9014 C CD2 . LEU C 68 ? 0.7599 0.5764 0.5921 0.0259 0.0118 -0.0308 86 LEU C CD2 +9015 N N . ILE C 69 ? 0.7890 0.6309 0.6472 0.0279 0.0134 -0.0269 87 ILE C N +9016 C CA . ILE C 69 ? 0.7689 0.6185 0.6342 0.0293 0.0146 -0.0264 87 ILE C CA +9017 C C . ILE C 69 ? 0.8447 0.6951 0.7106 0.0335 0.0168 -0.0280 87 ILE C C +9018 O O . ILE C 69 ? 0.7911 0.6484 0.6623 0.0348 0.0189 -0.0281 87 ILE C O +9019 C CB . ILE C 69 ? 0.7746 0.6261 0.6441 0.0284 0.0121 -0.0249 87 ILE C CB +9020 C CG1 . ILE C 69 ? 0.7619 0.6070 0.6283 0.0300 0.0101 -0.0252 87 ILE C CG1 +9021 C CG2 . ILE C 69 ? 0.7260 0.5782 0.5959 0.0243 0.0104 -0.0233 87 ILE C CG2 +9022 C CD1 . ILE C 69 ? 0.7556 0.6023 0.6260 0.0293 0.0077 -0.0237 87 ILE C CD1 +9023 N N . LEU C 70 ? 0.7331 0.5766 0.5937 0.0356 0.0165 -0.0292 88 LEU C N +9024 C CA . LEU C 70 ? 0.8292 0.6735 0.6905 0.0399 0.0184 -0.0307 88 LEU C CA +9025 C C . LEU C 70 ? 0.8481 0.6924 0.7066 0.0411 0.0217 -0.0322 88 LEU C C +9026 O O . LEU C 70 ? 0.7921 0.6420 0.6546 0.0434 0.0243 -0.0330 88 LEU C O +9027 C CB . LEU C 70 ? 0.8792 0.7162 0.7366 0.0422 0.0166 -0.0313 88 LEU C CB +9028 C CG . LEU C 70 ? 0.8192 0.6564 0.6796 0.0419 0.0138 -0.0299 88 LEU C CG +9029 C CD1 . LEU C 70 ? 0.8378 0.6685 0.6947 0.0451 0.0128 -0.0308 88 LEU C CD1 +9030 C CD2 . LEU C 70 ? 0.7969 0.6433 0.6655 0.0425 0.0144 -0.0291 88 LEU C CD2 +9031 N N . ILE C 71 ? 0.6967 0.5350 0.5486 0.0396 0.0216 -0.0327 89 ILE C N +9032 C CA . ILE C 71 ? 0.6953 0.5333 0.5439 0.0405 0.0247 -0.0341 89 ILE C CA +9033 C C . ILE C 71 ? 0.8494 0.6956 0.7032 0.0393 0.0272 -0.0335 89 ILE C C +9034 O O . ILE C 71 ? 0.8059 0.6554 0.6609 0.0416 0.0305 -0.0347 89 ILE C O +9035 C CB . ILE C 71 ? 0.7451 0.5752 0.5856 0.0385 0.0236 -0.0345 89 ILE C CB +9036 C CG1 . ILE C 71 ? 0.8805 0.7023 0.7155 0.0406 0.0221 -0.0357 89 ILE C CG1 +9037 C CG2 . ILE C 71 ? 0.7226 0.5529 0.5597 0.0386 0.0267 -0.0355 89 ILE C CG2 +9038 C CD1 . ILE C 71 ? 0.8253 0.6389 0.6520 0.0390 0.0211 -0.0365 89 ILE C CD1 +9039 N N . PRO C 72 ? 0.8137 0.6637 0.6707 0.0359 0.0261 -0.0318 90 PRO C N +9040 C CA . PRO C 72 ? 0.8196 0.6777 0.6821 0.0349 0.0286 -0.0313 90 PRO C CA +9041 C C . PRO C 72 ? 0.7553 0.6203 0.6247 0.0378 0.0304 -0.0319 90 PRO C C +9042 O O . PRO C 72 ? 0.8097 0.6800 0.6819 0.0382 0.0336 -0.0324 90 PRO C O +9043 C CB . PRO C 72 ? 0.7633 0.6237 0.6287 0.0312 0.0262 -0.0293 90 PRO C CB +9044 C CG . PRO C 72 ? 0.8676 0.7206 0.7272 0.0296 0.0232 -0.0290 90 PRO C CG +9045 C CD . PRO C 72 ? 0.7740 0.6209 0.6295 0.0326 0.0227 -0.0304 90 PRO C CD +9046 N N . HIS C 73 ? 0.7413 0.6063 0.6133 0.0398 0.0284 -0.0318 91 HIS C N +9047 C CA . HIS C 73 ? 0.7731 0.6445 0.6515 0.0429 0.0299 -0.0326 91 HIS C CA +9048 C C . HIS C 73 ? 0.7737 0.6442 0.6499 0.0464 0.0329 -0.0346 91 HIS C C +9049 O O . HIS C 73 ? 0.7664 0.6437 0.6475 0.0480 0.0357 -0.0354 91 HIS C O +9050 C CB . HIS C 73 ? 0.7338 0.6044 0.6145 0.0446 0.0269 -0.0321 91 HIS C CB +9051 C CG . HIS C 73 ? 0.9231 0.7982 0.8090 0.0420 0.0248 -0.0303 91 HIS C CG +9052 N ND1 . HIS C 73 ? 0.7142 0.5855 0.5975 0.0387 0.0221 -0.0288 91 HIS C ND1 +9053 C CD2 . HIS C 73 ? 0.7396 0.6227 0.6330 0.0423 0.0250 -0.0298 91 HIS C CD2 +9054 C CE1 . HIS C 73 ? 0.7783 0.6549 0.6672 0.0371 0.0209 -0.0274 91 HIS C CE1 +9055 N NE2 . HIS C 73 ? 0.7867 0.6704 0.6817 0.0392 0.0225 -0.0280 91 HIS C NE2 +9056 N N . ILE C 74 ? 0.7609 0.6232 0.6298 0.0477 0.0324 -0.0356 92 ILE C N +9057 C CA . ILE C 74 ? 0.8672 0.7277 0.7331 0.0511 0.0353 -0.0376 92 ILE C CA +9058 C C . ILE C 74 ? 0.9083 0.7710 0.7729 0.0497 0.0387 -0.0380 92 ILE C C +9059 O O . ILE C 74 ? 0.8008 0.6676 0.6675 0.0521 0.0421 -0.0393 92 ILE C O +9060 C CB . ILE C 74 ? 0.9648 0.8152 0.8227 0.0526 0.0336 -0.0384 92 ILE C CB +9061 C CG1 . ILE C 74 ? 0.8433 0.6907 0.7019 0.0535 0.0301 -0.0378 92 ILE C CG1 +9062 C CG2 . ILE C 74 ? 0.9518 0.8002 0.8066 0.0565 0.0365 -0.0406 92 ILE C CG2 +9063 C CD1 . ILE C 74 ? 0.7359 0.5727 0.5862 0.0536 0.0281 -0.0383 92 ILE C CD1 +9064 N N . ALA C 75 ? 0.8058 0.6657 0.6666 0.0460 0.0380 -0.0370 93 ALA C N +9065 C CA . ALA C 75 ? 0.6878 0.5486 0.5461 0.0446 0.0412 -0.0373 93 ALA C CA +9066 C C . ALA C 75 ? 0.8043 0.6748 0.6702 0.0440 0.0440 -0.0370 93 ALA C C +9067 O O . ALA C 75 ? 0.8586 0.7317 0.7245 0.0447 0.0478 -0.0380 93 ALA C O +9068 C CB . ALA C 75 ? 0.7831 0.6391 0.6361 0.0407 0.0394 -0.0362 93 ALA C CB +9069 N N . THR C 76 ? 0.8683 0.7442 0.7409 0.0426 0.0422 -0.0356 94 THR C N +9070 C CA . THR C 76 ? 0.8485 0.7338 0.7288 0.0419 0.0444 -0.0353 94 THR C CA +9071 C C . THR C 76 ? 0.7186 0.6089 0.6032 0.0456 0.0474 -0.0371 94 THR C C +9072 O O . THR C 76 ? 0.7931 0.6900 0.6820 0.0452 0.0507 -0.0375 94 THR C O +9073 C CB . THR C 76 ? 0.9346 0.8239 0.8209 0.0402 0.0413 -0.0337 94 THR C CB +9074 O OG1 . THR C 76 ? 0.8062 0.6919 0.6891 0.0364 0.0391 -0.0321 94 THR C OG1 +9075 C CG2 . THR C 76 ? 0.7905 0.6898 0.6856 0.0398 0.0433 -0.0336 94 THR C CG2 +9076 N N . LEU C 77 ? 0.8156 0.7028 0.6990 0.0493 0.0463 -0.0382 95 LEU C N +9077 C CA . LEU C 77 ? 0.8387 0.7303 0.7258 0.0534 0.0489 -0.0400 95 LEU C CA +9078 C C . LEU C 77 ? 1.0005 0.8894 0.8825 0.0549 0.0527 -0.0416 95 LEU C C +9079 O O . LEU C 77 ? 0.9114 0.8038 0.7961 0.0583 0.0552 -0.0433 95 LEU C O +9080 C CB . LEU C 77 ? 0.8595 0.7483 0.7467 0.0569 0.0462 -0.0405 95 LEU C CB +9081 C CG . LEU C 77 ? 0.9823 0.8750 0.8756 0.0564 0.0429 -0.0392 95 LEU C CG +9082 C CD1 . LEU C 77 ? 0.8763 0.7641 0.7677 0.0598 0.0401 -0.0396 95 LEU C CD1 +9083 C CD2 . LEU C 77 ? 0.8061 0.7096 0.7087 0.0570 0.0448 -0.0396 95 LEU C CD2 +9084 N N . GLY C 78 ? 0.8569 0.7398 0.7316 0.0525 0.0531 -0.0413 96 GLY C N +9085 C CA . GLY C 78 ? 0.8242 0.7043 0.6936 0.0536 0.0568 -0.0427 96 GLY C CA +9086 C C . GLY C 78 ? 0.8239 0.6944 0.6846 0.0558 0.0559 -0.0438 96 GLY C C +9087 O O . GLY C 78 ? 0.9871 0.8549 0.8430 0.0570 0.0589 -0.0451 96 GLY C O +9088 N N . TRP C 79 ? 0.8214 0.6864 0.6797 0.0562 0.0519 -0.0434 97 TRP C N +9089 C CA . TRP C 79 ? 0.8324 0.6881 0.6826 0.0583 0.0508 -0.0446 97 TRP C CA +9090 C C . TRP C 79 ? 0.9879 0.8359 0.8305 0.0549 0.0488 -0.0437 97 TRP C C +9091 O O . TRP C 79 ? 0.8994 0.7471 0.7430 0.0519 0.0456 -0.0420 97 TRP C O +9092 C CB . TRP C 79 ? 0.8381 0.6916 0.6897 0.0610 0.0478 -0.0447 97 TRP C CB +9093 C CG . TRP C 79 ? 1.0343 0.8921 0.8903 0.0657 0.0498 -0.0463 97 TRP C CG +9094 C CD1 . TRP C 79 ? 1.0663 0.9236 0.9200 0.0689 0.0533 -0.0483 97 TRP C CD1 +9095 C CD2 . TRP C 79 ? 1.0232 0.8865 0.8866 0.0678 0.0484 -0.0461 97 TRP C CD2 +9096 N NE1 . TRP C 79 ? 0.8796 0.7421 0.7392 0.0730 0.0541 -0.0493 97 TRP C NE1 +9097 C CE2 . TRP C 79 ? 1.0420 0.9082 0.9075 0.0724 0.0511 -0.0480 97 TRP C CE2 +9098 C CE3 . TRP C 79 ? 0.9719 0.8380 0.8402 0.0664 0.0451 -0.0445 97 TRP C CE3 +9099 C CZ2 . TRP C 79 ? 0.9447 0.8164 0.8170 0.0757 0.0504 -0.0484 97 TRP C CZ2 +9100 C CZ3 . TRP C 79 ? 1.0448 0.9160 0.9195 0.0696 0.0445 -0.0448 97 TRP C CZ3 +9101 C CH2 . TRP C 79 ? 1.0917 0.9658 0.9684 0.0742 0.0471 -0.0468 97 TRP C CH2 +9102 N N . GLY C 80 ? 0.9947 0.8367 0.8295 0.0556 0.0505 -0.0449 98 GLY C N +9103 C CA . GLY C 80 ? 0.8581 0.6918 0.6847 0.0532 0.0483 -0.0446 98 GLY C CA +9104 C C . GLY C 80 ? 0.8597 0.6943 0.6844 0.0494 0.0492 -0.0435 98 GLY C C +9105 O O . GLY C 80 ? 0.9396 0.7676 0.7574 0.0474 0.0473 -0.0432 98 GLY C O +9106 N N . VAL C 81 ? 0.8847 0.7274 0.7153 0.0484 0.0520 -0.0428 99 VAL C N +9107 C CA . VAL C 81 ? 0.9501 0.7940 0.7795 0.0447 0.0526 -0.0415 99 VAL C CA +9108 C C . VAL C 81 ? 0.9094 0.7567 0.7386 0.0453 0.0576 -0.0423 99 VAL C C +9109 O O . VAL C 81 ? 0.8697 0.7212 0.7026 0.0482 0.0606 -0.0435 99 VAL C O +9110 C CB . VAL C 81 ? 0.9364 0.7865 0.7733 0.0418 0.0506 -0.0395 99 VAL C CB +9111 C CG1 . VAL C 81 ? 0.8447 0.6906 0.6807 0.0406 0.0456 -0.0386 99 VAL C CG1 +9112 C CG2 . VAL C 81 ? 0.7737 0.6329 0.6201 0.0434 0.0524 -0.0396 99 VAL C CG2 +9113 N N . GLY C 82 ? 0.9334 0.7788 0.7582 0.0425 0.0586 -0.0416 100 GLY C N +9114 C CA . GLY C 82 ? 0.9803 0.8285 0.8043 0.0425 0.0633 -0.0420 100 GLY C CA +9115 C C . GLY C 82 ? 1.0316 0.8830 0.8574 0.0386 0.0636 -0.0401 100 GLY C C +9116 O O . GLY C 82 ? 0.9139 0.7679 0.7442 0.0364 0.0605 -0.0386 100 GLY C O +9117 N N . PRO C 83 ? 0.9898 0.8407 0.8117 0.0376 0.0672 -0.0402 101 PRO C N +9118 C CA . PRO C 83 ? 0.8820 0.7361 0.7055 0.0340 0.0679 -0.0384 101 PRO C CA +9119 C C . PRO C 83 ? 0.8996 0.7506 0.7216 0.0311 0.0632 -0.0368 101 PRO C C +9120 O O . PRO C 83 ? 0.9409 0.7848 0.7564 0.0312 0.0601 -0.0370 101 PRO C O +9121 C CB . PRO C 83 ? 0.8508 0.7009 0.6666 0.0339 0.0717 -0.0390 101 PRO C CB +9122 C CG . PRO C 83 ? 0.8690 0.7182 0.6833 0.0376 0.0746 -0.0411 101 PRO C CG +9123 C CD . PRO C 83 ? 0.9033 0.7500 0.7184 0.0398 0.0707 -0.0419 101 PRO C CD +9124 N N . GLY C 84 ? 0.9217 0.7784 0.7499 0.0286 0.0626 -0.0351 102 GLY C N +9125 C CA . GLY C 84 ? 0.8752 0.7300 0.7028 0.0258 0.0584 -0.0335 102 GLY C CA +9126 C C . GLY C 84 ? 1.0150 0.8687 0.8451 0.0266 0.0540 -0.0334 102 GLY C C +9127 O O . GLY C 84 ? 0.9895 0.8411 0.8188 0.0244 0.0503 -0.0322 102 GLY C O +9128 N N . GLY C 85 ? 0.9481 0.8032 0.7812 0.0296 0.0543 -0.0347 103 GLY C N +9129 C CA . GLY C 85 ? 0.8878 0.7411 0.7225 0.0306 0.0504 -0.0348 103 GLY C CA +9130 C C . GLY C 85 ? 1.0323 0.8767 0.8588 0.0312 0.0478 -0.0355 103 GLY C C +9131 O O . GLY C 85 ? 1.0296 0.8717 0.8568 0.0312 0.0441 -0.0353 103 GLY C O +9132 N N . GLU C 86 ? 0.9279 0.7669 0.7466 0.0317 0.0496 -0.0365 104 GLU C N +9133 C CA . GLU C 86 ? 1.0211 0.8515 0.8318 0.0324 0.0472 -0.0375 104 GLU C CA +9134 C C . GLU C 86 ? 0.8956 0.7240 0.7066 0.0358 0.0470 -0.0391 104 GLU C C +9135 O O . GLU C 86 ? 0.9893 0.8212 0.8031 0.0385 0.0503 -0.0401 104 GLU C O +9136 C CB . GLU C 86 ? 0.9415 0.7668 0.7436 0.0323 0.0494 -0.0382 104 GLU C CB +9137 C CG . GLU C 86 ? 1.4483 1.2645 1.2419 0.0328 0.0467 -0.0393 104 GLU C CG +9138 C CD . GLU C 86 ? 1.3488 1.1599 1.1338 0.0317 0.0476 -0.0395 104 GLU C CD +9139 O OE1 . GLU C 86 ? 1.4681 1.2817 1.2536 0.0294 0.0484 -0.0381 104 GLU C OE1 +9140 O OE2 . GLU C 86 ? 1.7367 1.5407 1.5140 0.0332 0.0473 -0.0410 104 GLU C OE2 +9141 N N . VAL C 87 ? 0.9953 0.8180 0.8033 0.0358 0.0432 -0.0393 105 VAL C N +9142 C CA . VAL C 87 ? 1.0794 0.8992 0.8868 0.0391 0.0427 -0.0407 105 VAL C CA +9143 C C . VAL C 87 ? 1.1422 0.9561 0.9418 0.0414 0.0450 -0.0427 105 VAL C C +9144 O O . VAL C 87 ? 1.0914 0.8987 0.8833 0.0402 0.0438 -0.0431 105 VAL C O +9145 C CB . VAL C 87 ? 1.0547 0.8700 0.8612 0.0381 0.0380 -0.0403 105 VAL C CB +9146 C CG1 . VAL C 87 ? 0.8190 0.6299 0.6236 0.0415 0.0376 -0.0420 105 VAL C CG1 +9147 C CG2 . VAL C 87 ? 1.0062 0.8276 0.8208 0.0361 0.0359 -0.0384 105 VAL C CG2 +9148 N N . VAL C 88 ? 0.9159 0.7321 0.7174 0.0448 0.0482 -0.0440 106 VAL C N +9149 C CA . VAL C 88 ? 1.1746 0.9855 0.9689 0.0473 0.0507 -0.0460 106 VAL C CA +9150 C C . VAL C 88 ? 0.9357 0.7411 0.7274 0.0504 0.0492 -0.0475 106 VAL C C +9151 O O . VAL C 88 ? 1.0766 0.8750 0.8604 0.0520 0.0499 -0.0491 106 VAL C O +9152 C CB . VAL C 88 ? 0.9482 0.7648 0.7452 0.0491 0.0560 -0.0467 106 VAL C CB +9153 C CG1 . VAL C 88 ? 0.8617 0.6830 0.6607 0.0460 0.0576 -0.0452 106 VAL C CG1 +9154 C CG2 . VAL C 88 ? 0.9383 0.7615 0.7437 0.0519 0.0572 -0.0471 106 VAL C CG2 +9155 N N . ASP C 89 ? 0.9868 0.7948 0.7844 0.0513 0.0471 -0.0471 107 ASP C N +9156 C CA . ASP C 89 ? 0.9935 0.7967 0.7892 0.0546 0.0461 -0.0485 107 ASP C CA +9157 C C . ASP C 89 ? 1.0229 0.8275 0.8239 0.0539 0.0424 -0.0473 107 ASP C C +9158 O O . ASP C 89 ? 1.0506 0.8630 0.8598 0.0542 0.0430 -0.0464 107 ASP C O +9159 C CB . ASP C 89 ? 0.9317 0.7385 0.7298 0.0588 0.0501 -0.0500 107 ASP C CB +9160 C CG . ASP C 89 ? 1.1347 0.9368 0.9310 0.0627 0.0492 -0.0515 107 ASP C CG +9161 O OD1 . ASP C 89 ? 1.0616 0.8561 0.8530 0.0621 0.0458 -0.0517 107 ASP C OD1 +9162 O OD2 . ASP C 89 ? 1.1781 0.9843 0.9780 0.0663 0.0520 -0.0526 107 ASP C OD2 +9163 N N . THR C 90 ? 0.9158 0.7131 0.7122 0.0528 0.0387 -0.0473 108 THR C N +9164 C CA . THR C 90 ? 0.9034 0.7013 0.7041 0.0521 0.0353 -0.0461 108 THR C CA +9165 C C . THR C 90 ? 1.0154 0.8117 0.8173 0.0561 0.0354 -0.0472 108 THR C C +9166 O O . THR C 90 ? 0.9807 0.7771 0.7860 0.0559 0.0327 -0.0463 108 THR C O +9167 C CB . THR C 90 ? 0.9379 0.7286 0.7336 0.0490 0.0313 -0.0456 108 THR C CB +9168 O OG1 . THR C 90 ? 0.9485 0.7302 0.7356 0.0504 0.0311 -0.0475 108 THR C OG1 +9169 C CG2 . THR C 90 ? 0.8629 0.6557 0.6583 0.0449 0.0306 -0.0443 108 THR C CG2 +9170 N N . PHE C 91 ? 0.9036 0.6984 0.7029 0.0599 0.0383 -0.0491 109 PHE C N +9171 C CA . PHE C 91 ? 0.9539 0.7462 0.7534 0.0640 0.0380 -0.0502 109 PHE C CA +9172 C C . PHE C 91 ? 0.8410 0.6415 0.6498 0.0655 0.0382 -0.0493 109 PHE C C +9173 O O . PHE C 91 ? 0.9149 0.7130 0.7247 0.0671 0.0359 -0.0492 109 PHE C O +9174 C CB . PHE C 91 ? 0.8790 0.6683 0.6737 0.0679 0.0413 -0.0525 109 PHE C CB +9175 C CG . PHE C 91 ? 1.0662 0.8508 0.8593 0.0721 0.0407 -0.0538 109 PHE C CG +9176 C CD1 . PHE C 91 ? 0.9308 0.7060 0.7180 0.0717 0.0374 -0.0540 109 PHE C CD1 +9177 C CD2 . PHE C 91 ? 1.0544 0.8441 0.8521 0.0765 0.0434 -0.0548 109 PHE C CD2 +9178 C CE1 . PHE C 91 ? 1.0933 0.8635 0.8785 0.0756 0.0368 -0.0552 109 PHE C CE1 +9179 C CE2 . PHE C 91 ? 1.0241 0.8092 0.8200 0.0807 0.0427 -0.0560 109 PHE C CE2 +9180 C CZ . PHE C 91 ? 0.9609 0.7360 0.7504 0.0802 0.0394 -0.0562 109 PHE C CZ +9181 N N . PRO C 92 ? 0.8599 0.6699 0.6756 0.0653 0.0407 -0.0487 110 PRO C N +9182 C CA . PRO C 92 ? 0.8360 0.6540 0.6608 0.0665 0.0404 -0.0479 110 PRO C CA +9183 C C . PRO C 92 ? 0.8944 0.7119 0.7216 0.0639 0.0364 -0.0460 110 PRO C C +9184 O O . PRO C 92 ? 0.9285 0.7482 0.7602 0.0659 0.0351 -0.0456 110 PRO C O +9185 C CB . PRO C 92 ? 0.9050 0.7325 0.7356 0.0653 0.0436 -0.0474 110 PRO C CB +9186 C CG . PRO C 92 ? 0.8870 0.7115 0.7116 0.0653 0.0466 -0.0486 110 PRO C CG +9187 C CD . PRO C 92 ? 0.8548 0.6687 0.6701 0.0641 0.0442 -0.0490 110 PRO C CD +9188 N N . PHE C 93 ? 0.9088 0.7233 0.7331 0.0596 0.0344 -0.0447 111 PHE C N +9189 C CA . PHE C 93 ? 0.9124 0.7262 0.7388 0.0570 0.0306 -0.0430 111 PHE C CA +9190 C C . PHE C 93 ? 1.0046 0.8103 0.8267 0.0590 0.0282 -0.0436 111 PHE C C +9191 O O . PHE C 93 ? 0.9675 0.7740 0.7932 0.0596 0.0261 -0.0427 111 PHE C O +9192 C CB . PHE C 93 ? 0.8438 0.6559 0.6676 0.0522 0.0290 -0.0418 111 PHE C CB +9193 C CG . PHE C 93 ? 0.8816 0.7004 0.7082 0.0502 0.0315 -0.0413 111 PHE C CG +9194 C CD1 . PHE C 93 ? 0.8823 0.7102 0.7167 0.0512 0.0337 -0.0408 111 PHE C CD1 +9195 C CD2 . PHE C 93 ? 0.8887 0.7042 0.7099 0.0475 0.0317 -0.0413 111 PHE C CD2 +9196 C CE1 . PHE C 93 ? 0.8809 0.7145 0.7175 0.0492 0.0362 -0.0404 111 PHE C CE1 +9197 C CE2 . PHE C 93 ? 0.7842 0.6052 0.6074 0.0458 0.0342 -0.0407 111 PHE C CE2 +9198 C CZ . PHE C 93 ? 0.8817 0.7116 0.7125 0.0466 0.0365 -0.0403 111 PHE C CZ +9199 N N . PHE C 94 ? 0.8659 0.6634 0.6801 0.0601 0.0285 -0.0452 112 PHE C N +9200 C CA . PHE C 94 ? 0.8166 0.6056 0.6259 0.0623 0.0266 -0.0461 112 PHE C CA +9201 C C . PHE C 94 ? 0.7998 0.5916 0.6132 0.0669 0.0274 -0.0466 112 PHE C C +9202 O O . PHE C 94 ? 0.8276 0.6165 0.6415 0.0678 0.0250 -0.0460 112 PHE C O +9203 C CB . PHE C 94 ? 0.8698 0.6505 0.6701 0.0631 0.0275 -0.0480 112 PHE C CB +9204 C CG . PHE C 94 ? 0.9571 0.7278 0.7513 0.0644 0.0253 -0.0488 112 PHE C CG +9205 C CD1 . PHE C 94 ? 0.9668 0.7327 0.7592 0.0611 0.0217 -0.0477 112 PHE C CD1 +9206 C CD2 . PHE C 94 ? 1.0030 0.7692 0.7933 0.0689 0.0268 -0.0508 112 PHE C CD2 +9207 C CE1 . PHE C 94 ? 1.0518 0.8082 0.8384 0.0621 0.0197 -0.0485 112 PHE C CE1 +9208 C CE2 . PHE C 94 ? 0.9719 0.7283 0.7562 0.0701 0.0247 -0.0516 112 PHE C CE2 +9209 C CZ . PHE C 94 ? 0.9615 0.7130 0.7440 0.0666 0.0212 -0.0504 112 PHE C CZ +9210 N N . VAL C 95 ? 0.8787 0.6761 0.6950 0.0700 0.0309 -0.0478 113 VAL C N +9211 C CA . VAL C 95 ? 0.8360 0.6360 0.6560 0.0749 0.0318 -0.0486 113 VAL C CA +9212 C C . VAL C 95 ? 0.9317 0.7379 0.7594 0.0745 0.0298 -0.0468 113 VAL C C +9213 O O . VAL C 95 ? 0.9339 0.7373 0.7618 0.0769 0.0280 -0.0468 113 VAL C O +9214 C CB . VAL C 95 ? 0.9804 0.7868 0.8032 0.0778 0.0360 -0.0500 113 VAL C CB +9215 C CG1 . VAL C 95 ? 0.9494 0.7604 0.7776 0.0827 0.0368 -0.0508 113 VAL C CG1 +9216 C CG2 . VAL C 95 ? 0.9502 0.7497 0.7648 0.0789 0.0379 -0.0519 113 VAL C CG2 +9217 N N . VAL C 96 ? 0.9649 0.7793 0.7987 0.0714 0.0303 -0.0455 114 VAL C N +9218 C CA . VAL C 96 ? 0.8352 0.6562 0.6766 0.0709 0.0286 -0.0439 114 VAL C CA +9219 C C . VAL C 96 ? 0.7549 0.5693 0.5935 0.0694 0.0248 -0.0426 114 VAL C C +9220 O O . VAL C 96 ? 0.9164 0.7319 0.7583 0.0714 0.0232 -0.0421 114 VAL C O +9221 C CB . VAL C 96 ? 0.9283 0.7576 0.7752 0.0671 0.0296 -0.0426 114 VAL C CB +9222 C CG1 . VAL C 96 ? 0.8050 0.6408 0.6594 0.0662 0.0277 -0.0409 114 VAL C CG1 +9223 C CG2 . VAL C 96 ? 0.8611 0.6970 0.7109 0.0686 0.0337 -0.0438 114 VAL C CG2 +9224 N N . GLY C 97 ? 0.8437 0.6510 0.6762 0.0660 0.0232 -0.0423 115 GLY C N +9225 C CA . GLY C 97 ? 0.8695 0.6703 0.6992 0.0643 0.0197 -0.0412 115 GLY C CA +9226 C C . GLY C 97 ? 0.9166 0.7100 0.7421 0.0682 0.0189 -0.0422 115 GLY C C +9227 O O . GLY C 97 ? 0.8738 0.6668 0.7015 0.0694 0.0169 -0.0413 115 GLY C O +9228 N N . VAL C 98 ? 0.9458 0.7333 0.7651 0.0705 0.0203 -0.0441 116 VAL C N +9229 C CA . VAL C 98 ? 0.8364 0.6158 0.6507 0.0743 0.0197 -0.0453 116 VAL C CA +9230 C C . VAL C 98 ? 0.8760 0.6603 0.6958 0.0788 0.0200 -0.0453 116 VAL C C +9231 O O . VAL C 98 ? 0.8641 0.6439 0.6827 0.0805 0.0179 -0.0449 116 VAL C O +9232 C CB . VAL C 98 ? 0.9166 0.6905 0.7242 0.0763 0.0218 -0.0476 116 VAL C CB +9233 C CG1 . VAL C 98 ? 0.8726 0.6392 0.6758 0.0812 0.0216 -0.0489 116 VAL C CG1 +9234 C CG2 . VAL C 98 ? 0.8563 0.6235 0.6573 0.0720 0.0207 -0.0476 116 VAL C CG2 +9235 N N . VAL C 99 ? 0.8851 0.6788 0.7110 0.0808 0.0227 -0.0459 117 VAL C N +9236 C CA . VAL C 99 ? 0.9326 0.7309 0.7635 0.0856 0.0231 -0.0463 117 VAL C CA +9237 C C . VAL C 99 ? 0.9703 0.7719 0.8063 0.0845 0.0204 -0.0443 117 VAL C C +9238 O O . VAL C 99 ? 0.9755 0.7754 0.8121 0.0879 0.0190 -0.0443 117 VAL C O +9239 C CB . VAL C 99 ? 0.9694 0.7775 0.8061 0.0878 0.0266 -0.0474 117 VAL C CB +9240 C CG1 . VAL C 99 ? 0.9406 0.7545 0.7833 0.0926 0.0268 -0.0479 117 VAL C CG1 +9241 C CG2 . VAL C 99 ? 0.9836 0.7872 0.8144 0.0895 0.0293 -0.0495 117 VAL C CG2 +9242 N N . HIS C 100 ? 0.9244 0.7305 0.7639 0.0797 0.0195 -0.0426 118 HIS C N +9243 C CA . HIS C 100 ? 0.7851 0.5936 0.6287 0.0783 0.0168 -0.0406 118 HIS C CA +9244 C C . HIS C 100 ? 0.8425 0.6404 0.6798 0.0778 0.0139 -0.0400 118 HIS C C +9245 O O . HIS C 100 ? 0.8987 0.6955 0.7372 0.0800 0.0122 -0.0393 118 HIS C O +9246 C CB . HIS C 100 ? 0.9099 0.7247 0.7579 0.0732 0.0165 -0.0390 118 HIS C CB +9247 C CG . HIS C 100 ? 0.9016 0.7280 0.7580 0.0737 0.0185 -0.0389 118 HIS C CG +9248 N ND1 . HIS C 100 ? 0.8138 0.6450 0.6716 0.0737 0.0216 -0.0401 118 HIS C ND1 +9249 C CD2 . HIS C 100 ? 0.8584 0.6927 0.7223 0.0740 0.0177 -0.0379 118 HIS C CD2 +9250 C CE1 . HIS C 100 ? 0.7918 0.6333 0.6577 0.0739 0.0228 -0.0398 118 HIS C CE1 +9251 N NE2 . HIS C 100 ? 0.8984 0.7421 0.7681 0.0740 0.0203 -0.0385 118 HIS C NE2 +9252 N N . LEU C 101 ? 0.7987 0.5887 0.6291 0.0750 0.0135 -0.0402 119 LEU C N +9253 C CA . LEU C 101 ? 0.8447 0.6244 0.6690 0.0742 0.0109 -0.0397 119 LEU C CA +9254 C C . LEU C 101 ? 1.0293 0.8031 0.8501 0.0795 0.0108 -0.0409 119 LEU C C +9255 O O . LEU C 101 ? 0.9713 0.7409 0.7911 0.0804 0.0086 -0.0399 119 LEU C O +9256 C CB . LEU C 101 ? 0.8958 0.6683 0.7134 0.0704 0.0105 -0.0401 119 LEU C CB +9257 C CG . LEU C 101 ? 0.9714 0.7339 0.7832 0.0683 0.0078 -0.0394 119 LEU C CG +9258 C CD1 . LEU C 101 ? 0.9406 0.7067 0.7569 0.0652 0.0057 -0.0371 119 LEU C CD1 +9259 C CD2 . LEU C 101 ? 0.8623 0.6181 0.6677 0.0648 0.0075 -0.0402 119 LEU C CD2 +9260 N N . ILE C 102 ? 0.8515 0.6251 0.6706 0.0833 0.0131 -0.0429 120 ILE C N +9261 C CA . ILE C 102 ? 0.9466 0.7144 0.7622 0.0888 0.0131 -0.0442 120 ILE C CA +9262 C C . ILE C 102 ? 0.8962 0.6701 0.7181 0.0922 0.0123 -0.0434 120 ILE C C +9263 O O . ILE C 102 ? 0.8893 0.6573 0.7086 0.0947 0.0105 -0.0430 120 ILE C O +9264 C CB . ILE C 102 ? 1.0578 0.8248 0.8706 0.0923 0.0160 -0.0466 120 ILE C CB +9265 C CG1 . ILE C 102 ? 0.9159 0.6745 0.7207 0.0895 0.0163 -0.0475 120 ILE C CG1 +9266 C CG2 . ILE C 102 ? 0.9619 0.7250 0.7727 0.0986 0.0162 -0.0479 120 ILE C CG2 +9267 C CD1 . ILE C 102 ? 1.0086 0.7551 0.8058 0.0881 0.0137 -0.0472 120 ILE C CD1 +9268 N N . SER C 103 ? 0.9122 0.6977 0.7424 0.0922 0.0137 -0.0431 121 SER C N +9269 C CA . SER C 103 ? 0.9222 0.7143 0.7588 0.0955 0.0129 -0.0426 121 SER C CA +9270 C C . SER C 103 ? 1.0218 0.8113 0.8586 0.0935 0.0097 -0.0404 121 SER C C +9271 O O . SER C 103 ? 0.9505 0.7398 0.7887 0.0971 0.0083 -0.0401 121 SER C O +9272 C CB . SER C 103 ? 0.9929 0.7980 0.8385 0.0950 0.0149 -0.0426 121 SER C CB +9273 O OG . SER C 103 ? 0.8689 0.6768 0.7146 0.0972 0.0181 -0.0447 121 SER C OG +9274 N N . SER C 104 ? 0.8252 0.6123 0.6604 0.0878 0.0085 -0.0389 122 SER C N +9275 C CA . SER C 104 ? 0.8598 0.6448 0.6954 0.0858 0.0056 -0.0368 122 SER C CA +9276 C C . SER C 104 ? 0.9052 0.6793 0.7341 0.0885 0.0039 -0.0368 122 SER C C +9277 O O . SER C 104 ? 0.8879 0.6609 0.7176 0.0890 0.0018 -0.0354 122 SER C O +9278 C CB . SER C 104 ? 0.8403 0.6242 0.6748 0.0793 0.0047 -0.0354 122 SER C CB +9279 O OG . SER C 104 ? 0.9542 0.7282 0.7808 0.0774 0.0046 -0.0361 122 SER C OG +9280 N N . ALA C 105 ? 0.9832 0.7490 0.8051 0.0902 0.0047 -0.0384 123 ALA C N +9281 C CA . ALA C 105 ? 1.0312 0.7862 0.8464 0.0931 0.0032 -0.0386 123 ALA C CA +9282 C C . ALA C 105 ? 0.8405 0.5984 0.6585 0.0994 0.0032 -0.0391 123 ALA C C +9283 O O . ALA C 105 ? 0.9193 0.6721 0.7351 0.1012 0.0012 -0.0382 123 ALA C O +9284 C CB . ALA C 105 ? 1.0233 0.7689 0.8304 0.0935 0.0043 -0.0404 123 ALA C CB +9285 N N . VAL C 106 ? 0.9447 0.7109 0.7677 0.1028 0.0053 -0.0406 124 VAL C N +9286 C CA . VAL C 106 ? 0.9871 0.7577 0.8140 0.1087 0.0053 -0.0412 124 VAL C CA +9287 C C . VAL C 106 ? 1.0477 0.8242 0.8804 0.1079 0.0032 -0.0392 124 VAL C C +9288 O O . VAL C 106 ? 1.0002 0.7735 0.8318 0.1113 0.0013 -0.0386 124 VAL C O +9289 C CB . VAL C 106 ? 0.9531 0.7332 0.7855 0.1116 0.0082 -0.0431 124 VAL C CB +9290 C CG1 . VAL C 106 ? 0.9492 0.7333 0.7853 0.1182 0.0081 -0.0440 124 VAL C CG1 +9291 C CG2 . VAL C 106 ? 0.9771 0.7516 0.8036 0.1118 0.0104 -0.0450 124 VAL C CG2 +9292 N N . LEU C 107 ? 1.0377 0.8225 0.8763 0.1033 0.0034 -0.0381 125 LEU C N +9293 C CA . LEU C 107 ? 0.8451 0.6356 0.6892 0.1024 0.0014 -0.0362 125 LEU C CA +9294 C C . LEU C 107 ? 0.9206 0.7019 0.7592 0.1002 -0.0012 -0.0343 125 LEU C C +9295 O O . LEU C 107 ? 0.8347 0.6160 0.6745 0.1024 -0.0032 -0.0333 125 LEU C O +9296 C CB . LEU C 107 ? 0.8580 0.6588 0.7091 0.0978 0.0024 -0.0355 125 LEU C CB +9297 C CG . LEU C 107 ? 1.0089 0.8201 0.8664 0.0996 0.0051 -0.0371 125 LEU C CG +9298 C CD1 . LEU C 107 ? 0.9070 0.7264 0.7698 0.0943 0.0061 -0.0363 125 LEU C CD1 +9299 C CD2 . LEU C 107 ? 0.8249 0.6430 0.6882 0.1050 0.0048 -0.0378 125 LEU C CD2 +9300 N N . GLY C 108 ? 0.8785 0.6517 0.7110 0.0960 -0.0014 -0.0339 126 GLY C N +9301 C CA . GLY C 108 ? 0.8553 0.6193 0.6824 0.0938 -0.0037 -0.0323 126 GLY C CA +9302 C C . GLY C 108 ? 1.1304 0.8858 0.9520 0.0990 -0.0048 -0.0327 126 GLY C C +9303 O O . GLY C 108 ? 0.9880 0.7396 0.8081 0.0994 -0.0069 -0.0311 126 GLY C O +9304 N N . PHE C 109 ? 0.9670 0.7191 0.7855 0.1031 -0.0034 -0.0347 127 PHE C N +9305 C CA . PHE C 109 ? 1.0371 0.7810 0.8502 0.1085 -0.0043 -0.0353 127 PHE C CA +9306 C C . PHE C 109 ? 0.8330 0.5831 0.6514 0.1130 -0.0055 -0.0347 127 PHE C C +9307 O O . PHE C 109 ? 0.9157 0.6596 0.7306 0.1147 -0.0076 -0.0335 127 PHE C O +9308 C CB . PHE C 109 ? 1.0032 0.7439 0.8128 0.1124 -0.0023 -0.0378 127 PHE C CB +9309 C CG . PHE C 109 ? 1.2310 0.9601 1.0328 0.1169 -0.0032 -0.0383 127 PHE C CG +9310 C CD1 . PHE C 109 ? 1.2240 0.9545 1.0273 0.1232 -0.0039 -0.0387 127 PHE C CD1 +9311 C CD2 . PHE C 109 ? 1.1380 0.8545 0.9308 0.1148 -0.0035 -0.0385 127 PHE C CD2 +9312 C CE1 . PHE C 109 ? 1.3161 1.0354 1.1117 0.1275 -0.0049 -0.0392 127 PHE C CE1 +9313 C CE2 . PHE C 109 ? 1.4083 1.1136 1.1935 0.1188 -0.0043 -0.0390 127 PHE C CE2 +9314 C CZ . PHE C 109 ? 1.3412 1.0478 1.1277 0.1253 -0.0050 -0.0393 127 PHE C CZ +9315 N N . GLY C 110 ? 0.9409 0.7031 0.7674 0.1149 -0.0043 -0.0356 128 GLY C N +9316 C CA . GLY C 110 ? 1.0404 0.8094 0.8725 0.1190 -0.0056 -0.0352 128 GLY C CA +9317 C C . GLY C 110 ? 1.1677 0.9376 1.0015 0.1158 -0.0079 -0.0327 128 GLY C C +9318 O O . GLY C 110 ? 0.9879 0.7554 0.8207 0.1189 -0.0099 -0.0318 128 GLY C O +9319 N N . GLY C 111 ? 1.0452 0.8183 0.8812 0.1095 -0.0076 -0.0316 129 GLY C N +9320 C CA . GLY C 111 ? 0.9705 0.7447 0.8082 0.1062 -0.0096 -0.0292 129 GLY C CA +9321 C C . GLY C 111 ? 0.9158 0.6775 0.7453 0.1060 -0.0115 -0.0279 129 GLY C C +9322 O O . GLY C 111 ? 0.9324 0.6935 0.7622 0.1073 -0.0135 -0.0264 129 GLY C O +9323 N N . VAL C 112 ? 1.0124 0.7637 0.8343 0.1044 -0.0110 -0.0283 130 VAL C N +9324 C CA . VAL C 112 ? 0.9547 0.6935 0.7685 0.1038 -0.0127 -0.0270 130 VAL C CA +9325 C C . VAL C 112 ? 1.1149 0.8487 0.9254 0.1104 -0.0138 -0.0273 130 VAL C C +9326 O O . VAL C 112 ? 1.0157 0.7436 0.8228 0.1110 -0.0157 -0.0257 130 VAL C O +9327 C CB . VAL C 112 ? 1.0685 0.7975 0.8751 0.1004 -0.0118 -0.0276 130 VAL C CB +9328 C CG1 . VAL C 112 ? 1.0058 0.7212 0.8036 0.1008 -0.0132 -0.0267 130 VAL C CG1 +9329 C CG2 . VAL C 112 ? 1.1242 0.8570 0.9334 0.0934 -0.0113 -0.0268 130 VAL C CG2 +9330 N N . TYR C 113 ? 0.9577 0.6941 0.7694 0.1157 -0.0127 -0.0294 131 TYR C N +9331 C CA . TYR C 113 ? 1.0854 0.8179 0.8946 0.1226 -0.0138 -0.0299 131 TYR C CA +9332 C C . TYR C 113 ? 1.0685 0.8082 0.8832 0.1247 -0.0157 -0.0286 131 TYR C C +9333 O O . TYR C 113 ? 0.8823 0.6151 0.6925 0.1267 -0.0177 -0.0273 131 TYR C O +9334 C CB . TYR C 113 ? 0.9689 0.7047 0.7795 0.1277 -0.0120 -0.0326 131 TYR C CB +9335 C CG . TYR C 113 ? 1.0274 0.7642 0.8388 0.1352 -0.0131 -0.0332 131 TYR C CG +9336 C CD1 . TYR C 113 ? 1.2200 0.9447 1.0231 0.1391 -0.0145 -0.0330 131 TYR C CD1 +9337 C CD2 . TYR C 113 ? 1.0635 0.8133 0.8841 0.1384 -0.0129 -0.0341 131 TYR C CD2 +9338 C CE1 . TYR C 113 ? 1.1733 0.8987 0.9769 0.1461 -0.0157 -0.0336 131 TYR C CE1 +9339 C CE2 . TYR C 113 ? 0.9561 0.7073 0.7777 0.1454 -0.0141 -0.0347 131 TYR C CE2 +9340 C CZ . TYR C 113 ? 1.3260 1.0650 1.1391 0.1493 -0.0156 -0.0345 131 TYR C CZ +9341 O OH . TYR C 113 ? 1.2949 1.0349 1.1087 0.1565 -0.0170 -0.0351 131 TYR C OH +9342 N N . HIS C 114 ? 0.9290 0.6823 0.7531 0.1244 -0.0150 -0.0291 132 HIS C N +9343 C CA . HIS C 114 ? 0.9711 0.7317 0.8008 0.1265 -0.0169 -0.0281 132 HIS C CA +9344 C C . HIS C 114 ? 1.0406 0.7973 0.8681 0.1221 -0.0187 -0.0254 132 HIS C C +9345 O O . HIS C 114 ? 1.0786 0.8347 0.9058 0.1246 -0.0208 -0.0243 132 HIS C O +9346 C CB . HIS C 114 ? 0.9009 0.6767 0.7412 0.1261 -0.0157 -0.0290 132 HIS C CB +9347 C CG . HIS C 114 ? 0.9525 0.7341 0.7964 0.1318 -0.0143 -0.0315 132 HIS C CG +9348 N ND1 . HIS C 114 ? 1.0318 0.8150 0.8770 0.1384 -0.0157 -0.0322 132 HIS C ND1 +9349 C CD2 . HIS C 114 ? 1.1746 0.9618 1.0218 0.1318 -0.0116 -0.0335 132 HIS C CD2 +9350 C CE1 . HIS C 114 ? 1.1258 0.9153 0.9750 0.1423 -0.0139 -0.0345 132 HIS C CE1 +9351 N NE2 . HIS C 114 ? 1.0479 0.8397 0.8983 0.1383 -0.0114 -0.0353 132 HIS C NE2 +9352 N N . ALA C 115 ? 1.0995 0.8531 0.9249 0.1156 -0.0180 -0.0245 133 ALA C N +9353 C CA . ALA C 115 ? 1.0310 0.7821 0.8551 0.1111 -0.0194 -0.0221 133 ALA C CA +9354 C C . ALA C 115 ? 1.0306 0.7682 0.8456 0.1124 -0.0210 -0.0208 133 ALA C C +9355 O O . ALA C 115 ? 1.0762 0.8125 0.8905 0.1122 -0.0228 -0.0190 133 ALA C O +9356 C CB . ALA C 115 ? 0.8908 0.6427 0.7156 0.1039 -0.0182 -0.0215 133 ALA C CB +9357 N N . ILE C 116 ? 1.0341 0.7612 0.8416 0.1137 -0.0203 -0.0217 134 ILE C N +9358 C CA . ILE C 116 ? 1.3574 1.0709 1.1557 0.1142 -0.0216 -0.0204 134 ILE C CA +9359 C C . ILE C 116 ? 1.1732 0.8794 0.9661 0.1211 -0.0221 -0.0216 134 ILE C C +9360 O O . ILE C 116 ? 1.2444 0.9404 1.0303 0.1229 -0.0235 -0.0204 134 ILE C O +9361 C CB . ILE C 116 ? 1.1627 0.8672 0.9551 0.1081 -0.0208 -0.0199 134 ILE C CB +9362 C CG1 . ILE C 116 ? 1.2994 1.0001 1.0887 0.1088 -0.0191 -0.0221 134 ILE C CG1 +9363 C CG2 . ILE C 116 ? 1.0613 0.7733 0.8592 0.1013 -0.0204 -0.0188 134 ILE C CG2 +9364 C CD1 . ILE C 116 ? 1.5765 1.2696 1.3609 0.1026 -0.0183 -0.0218 134 ILE C CD1 +9365 N N . ARG C 117 ? 1.1154 0.8260 0.9109 0.1253 -0.0209 -0.0239 135 ARG C N +9366 C CA . ARG C 117 ? 1.2533 0.9564 1.0432 0.1321 -0.0212 -0.0252 135 ARG C CA +9367 C C . ARG C 117 ? 1.1604 0.8718 0.9558 0.1388 -0.0223 -0.0259 135 ARG C C +9368 O O . ARG C 117 ? 1.1559 0.8607 0.9466 0.1440 -0.0239 -0.0256 135 ARG C O +9369 C CB . ARG C 117 ? 1.3333 1.0332 1.1205 0.1328 -0.0191 -0.0274 135 ARG C CB +9370 C CG . ARG C 117 ? 1.3462 1.0358 1.1259 0.1391 -0.0194 -0.0286 135 ARG C CG +9371 C CD . ARG C 117 ? 1.3225 0.9974 1.0924 0.1379 -0.0208 -0.0268 135 ARG C CD +9372 N NE . ARG C 117 ? 1.6838 1.3502 1.4475 0.1449 -0.0218 -0.0274 135 ARG C NE +9373 C CZ . ARG C 117 ? 1.8908 1.5426 1.6445 0.1453 -0.0228 -0.0264 135 ARG C CZ +9374 N NH1 . ARG C 117 ? 1.6048 1.2487 1.3537 0.1390 -0.0228 -0.0248 135 ARG C NH1 +9375 N NH2 . ARG C 117 ? 2.0210 1.6659 1.7696 0.1522 -0.0237 -0.0270 135 ARG C NH2 +9376 N N . GLY C 118 ? 1.1027 0.8282 0.9078 0.1389 -0.0214 -0.0269 136 GLY C N +9377 C CA . GLY C 118 ? 1.0424 0.7764 0.8533 0.1453 -0.0221 -0.0281 136 GLY C CA +9378 C C . GLY C 118 ? 1.1765 0.9128 0.9892 0.1469 -0.0248 -0.0263 136 GLY C C +9379 O O . GLY C 118 ? 1.0867 0.8169 0.8953 0.1434 -0.0261 -0.0241 136 GLY C O +9380 N N . PRO C 119 ? 1.0154 0.7606 0.8341 0.1525 -0.0257 -0.0274 137 PRO C N +9381 C CA . PRO C 119 ? 0.9983 0.7469 0.8193 0.1545 -0.0284 -0.0260 137 PRO C CA +9382 C C . PRO C 119 ? 1.2147 0.9712 1.0416 0.1482 -0.0286 -0.0244 137 PRO C C +9383 O O . PRO C 119 ? 1.0720 0.8389 0.9064 0.1450 -0.0269 -0.0253 137 PRO C O +9384 C CB . PRO C 119 ? 1.1731 0.9315 1.0008 0.1614 -0.0289 -0.0281 137 PRO C CB +9385 C CG . PRO C 119 ? 1.1800 0.9440 1.0117 0.1611 -0.0259 -0.0305 137 PRO C CG +9386 C CD . PRO C 119 ? 0.9856 0.7378 0.8090 0.1575 -0.0243 -0.0302 137 PRO C CD +9387 N N . GLU C 120 ? 1.0944 0.8455 0.9175 0.1464 -0.0306 -0.0221 138 GLU C N +9388 C CA . GLU C 120 ? 1.1473 0.9048 0.9751 0.1407 -0.0310 -0.0204 138 GLU C CA +9389 C C . GLU C 120 ? 1.0108 0.7832 0.8490 0.1424 -0.0317 -0.0212 138 GLU C C +9390 O O . GLU C 120 ? 1.1070 0.8885 0.9519 0.1377 -0.0308 -0.0210 138 GLU C O +9391 C CB . GLU C 120 ? 0.9533 0.7014 0.7743 0.1392 -0.0330 -0.0178 138 GLU C CB +9392 C CG . GLU C 120 ? 1.1438 0.8785 0.9556 0.1351 -0.0320 -0.0167 138 GLU C CG +9393 C CD . GLU C 120 ? 1.3580 1.0862 1.1652 0.1316 -0.0334 -0.0140 138 GLU C CD +9394 O OE1 . GLU C 120 ? 1.4679 1.1992 1.2768 0.1340 -0.0355 -0.0130 138 GLU C OE1 +9395 O OE2 . GLU C 120 ? 1.3278 1.0480 1.1298 0.1264 -0.0324 -0.0130 138 GLU C OE2 +9396 N N . THR C 121 ? 0.9826 0.7576 0.8222 0.1492 -0.0335 -0.0221 139 THR C N +9397 C CA . THR C 121 ? 0.9908 0.7803 0.8407 0.1515 -0.0342 -0.0233 139 THR C CA +9398 C C . THR C 121 ? 0.9701 0.7647 0.8237 0.1566 -0.0328 -0.0261 139 THR C C +9399 O O . THR C 121 ? 1.1608 0.9466 1.0080 0.1606 -0.0326 -0.0269 139 THR C O +9400 C CB . THR C 121 ? 1.0820 0.8721 0.9318 0.1552 -0.0375 -0.0222 139 THR C CB +9401 O OG1 . THR C 121 ? 1.0161 0.7963 0.8583 0.1615 -0.0390 -0.0223 139 THR C OG1 +9402 C CG2 . THR C 121 ? 0.9072 0.6932 0.7539 0.1498 -0.0386 -0.0194 139 THR C CG2 +9403 N N . LEU C 122 ? 0.9749 0.7835 0.8387 0.1563 -0.0318 -0.0276 140 LEU C N +9404 C CA . LEU C 122 ? 1.0814 0.8964 0.9498 0.1608 -0.0302 -0.0303 140 LEU C CA +9405 C C . LEU C 122 ? 1.0733 0.8965 0.9474 0.1674 -0.0324 -0.0316 140 LEU C C +9406 O O . LEU C 122 ? 1.0761 0.9037 0.9534 0.1724 -0.0314 -0.0339 140 LEU C O +9407 C CB . LEU C 122 ? 0.9777 0.8028 0.8536 0.1562 -0.0272 -0.0315 140 LEU C CB +9408 C CG . LEU C 122 ? 1.0697 0.8886 0.9413 0.1501 -0.0246 -0.0309 140 LEU C CG +9409 C CD1 . LEU C 122 ? 1.0044 0.8343 0.8839 0.1470 -0.0217 -0.0324 140 LEU C CD1 +9410 C CD2 . LEU C 122 ? 0.9633 0.7690 0.8252 0.1523 -0.0238 -0.0313 140 LEU C CD2 +9411 N N . GLU C 123 ? 1.0415 0.8669 0.9169 0.1677 -0.0352 -0.0302 141 GLU C N +9412 C CA . GLU C 123 ? 1.0122 0.8469 0.8941 0.1735 -0.0374 -0.0315 141 GLU C CA +9413 C C . GLU C 123 ? 1.3339 1.1613 1.2102 0.1814 -0.0390 -0.0324 141 GLU C C +9414 O O . GLU C 123 ? 1.0913 0.9266 0.9732 0.1871 -0.0394 -0.0346 141 GLU C O +9415 C CB . GLU C 123 ? 0.9912 0.8294 0.8754 0.1715 -0.0402 -0.0297 141 GLU C CB +9416 C CG . GLU C 123 ? 1.0610 0.9089 0.9526 0.1645 -0.0388 -0.0293 141 GLU C CG +9417 C CD . GLU C 123 ? 0.9527 0.7933 0.8393 0.1575 -0.0365 -0.0278 141 GLU C CD +9418 O OE1 . GLU C 123 ? 1.0605 0.8891 0.9382 0.1559 -0.0374 -0.0257 141 GLU C OE1 +9419 O OE2 . GLU C 123 ? 0.9919 0.8386 0.8834 0.1537 -0.0336 -0.0287 141 GLU C OE2 +9420 N N . GLU C 124 ? 0.9587 0.7711 0.8238 0.1819 -0.0399 -0.0306 142 GLU C N +9421 C CA . GLU C 124 ? 1.1842 0.9881 1.0428 0.1893 -0.0413 -0.0314 142 GLU C CA +9422 C C . GLU C 124 ? 1.3226 1.1262 1.1813 0.1919 -0.0385 -0.0337 142 GLU C C +9423 O O . GLU C 124 ? 1.2621 1.0661 1.1208 0.1991 -0.0393 -0.0355 142 GLU C O +9424 C CB . GLU C 124 ? 1.4078 1.1950 1.2540 0.1884 -0.0426 -0.0289 142 GLU C CB +9425 C CG . GLU C 124 ? 1.6527 1.4362 1.4965 0.1800 -0.0418 -0.0265 142 GLU C CG +9426 C CD . GLU C 124 ? 1.7086 1.4980 1.5562 0.1781 -0.0442 -0.0249 142 GLU C CD +9427 O OE1 . GLU C 124 ? 1.7365 1.5231 1.5813 0.1828 -0.0473 -0.0242 142 GLU C OE1 +9428 O OE2 . GLU C 124 ? 1.4508 1.2477 1.3042 0.1719 -0.0431 -0.0243 142 GLU C OE2 +9429 N N . TYR C 125 ? 1.2276 1.0310 1.0866 0.1862 -0.0353 -0.0339 143 TYR C N +9430 C CA . TYR C 125 ? 1.1794 0.9805 1.0368 0.1882 -0.0326 -0.0360 143 TYR C CA +9431 C C . TYR C 125 ? 1.0929 0.9092 0.9615 0.1902 -0.0308 -0.0386 143 TYR C C +9432 O O . TYR C 125 ? 1.2541 1.0710 1.1230 0.1959 -0.0299 -0.0408 143 TYR C O +9433 C CB . TYR C 125 ? 1.2354 1.0288 1.0876 0.1813 -0.0301 -0.0350 143 TYR C CB +9434 C CG . TYR C 125 ? 1.3732 1.1671 1.2257 0.1817 -0.0267 -0.0371 143 TYR C CG +9435 C CD1 . TYR C 125 ? 1.3739 1.1568 1.2183 0.1859 -0.0262 -0.0380 143 TYR C CD1 +9436 C CD2 . TYR C 125 ? 1.3625 1.1674 1.2231 0.1777 -0.0241 -0.0382 143 TYR C CD2 +9437 C CE1 . TYR C 125 ? 1.4437 1.2269 1.2881 0.1862 -0.0231 -0.0401 143 TYR C CE1 +9438 C CE2 . TYR C 125 ? 1.4179 1.2231 1.2785 0.1780 -0.0209 -0.0402 143 TYR C CE2 +9439 C CZ . TYR C 125 ? 1.4359 1.2303 1.2884 0.1822 -0.0205 -0.0411 143 TYR C CZ +9440 O OH . TYR C 125 ? 1.6157 1.4102 1.4679 0.1826 -0.0174 -0.0431 143 TYR C OH +9441 N N . SER C 126 ? 1.2320 1.0604 1.1096 0.1857 -0.0301 -0.0386 144 SER C N +9442 C CA . SER C 126 ? 1.1487 0.9916 1.0370 0.1871 -0.0281 -0.0411 144 SER C CA +9443 C C . SER C 126 ? 1.1729 1.0287 1.0707 0.1844 -0.0294 -0.0407 144 SER C C +9444 O O . SER C 126 ? 1.2280 1.0836 1.1259 0.1779 -0.0293 -0.0389 144 SER C O +9445 C CB . SER C 126 ? 1.1246 0.9683 1.0135 0.1827 -0.0241 -0.0421 144 SER C CB +9446 O OG . SER C 126 ? 1.2213 1.0802 1.1214 0.1819 -0.0222 -0.0439 144 SER C OG +9447 N N . SER C 127 ? 1.1220 0.9889 1.0280 0.1894 -0.0305 -0.0426 145 SER C N +9448 C CA . SER C 127 ? 1.1391 1.0191 1.0549 0.1869 -0.0315 -0.0426 145 SER C CA +9449 C C . SER C 127 ? 0.9798 0.8707 0.9040 0.1820 -0.0279 -0.0438 145 SER C C +9450 O O . SER C 127 ? 1.2621 1.1627 1.1936 0.1782 -0.0283 -0.0434 145 SER C O +9451 C CB . SER C 127 ? 1.1550 1.0433 1.0767 0.1939 -0.0342 -0.0442 145 SER C CB +9452 O OG . SER C 127 ? 1.4285 1.3238 1.3555 0.1984 -0.0321 -0.0471 145 SER C OG +9453 N N . PHE C 128 ? 1.2167 1.1062 1.1398 0.1820 -0.0245 -0.0452 146 PHE C N +9454 C CA . PHE C 128 ? 1.0859 0.9845 1.0158 0.1768 -0.0210 -0.0461 146 PHE C CA +9455 C C . PHE C 128 ? 1.1013 0.9939 1.0268 0.1689 -0.0200 -0.0437 146 PHE C C +9456 O O . PHE C 128 ? 1.0954 0.9962 1.0271 0.1637 -0.0191 -0.0433 146 PHE C O +9457 C CB . PHE C 128 ? 1.1260 1.0252 1.0561 0.1795 -0.0175 -0.0484 146 PHE C CB +9458 C CG . PHE C 128 ? 1.0847 0.9914 1.0203 0.1741 -0.0136 -0.0492 146 PHE C CG +9459 C CD1 . PHE C 128 ? 1.0106 0.9324 0.9577 0.1739 -0.0124 -0.0508 146 PHE C CD1 +9460 C CD2 . PHE C 128 ? 1.1249 1.0234 1.0541 0.1692 -0.0113 -0.0482 146 PHE C CD2 +9461 C CE1 . PHE C 128 ? 1.2453 1.1736 1.1970 0.1688 -0.0087 -0.0515 146 PHE C CE1 +9462 C CE2 . PHE C 128 ? 1.2017 1.1068 1.1355 0.1644 -0.0078 -0.0489 146 PHE C CE2 +9463 C CZ . PHE C 128 ? 1.1327 1.0524 1.0775 0.1643 -0.0064 -0.0504 146 PHE C CZ +9464 N N . PHE C 129 ? 1.0825 0.9608 0.9973 0.1681 -0.0203 -0.0422 147 PHE C N +9465 C CA . PHE C 129 ? 1.0681 0.9401 0.9783 0.1608 -0.0197 -0.0400 147 PHE C CA +9466 C C . PHE C 129 ? 1.0580 0.9271 0.9662 0.1585 -0.0229 -0.0376 147 PHE C C +9467 O O . PHE C 129 ? 1.1903 1.0579 1.0975 0.1521 -0.0224 -0.0358 147 PHE C O +9468 C CB . PHE C 129 ? 1.0685 0.9269 0.9684 0.1604 -0.0183 -0.0397 147 PHE C CB +9469 C CG . PHE C 129 ? 1.1947 1.0556 1.0961 0.1614 -0.0148 -0.0419 147 PHE C CG +9470 C CD1 . PHE C 129 ? 1.1958 1.0641 1.1025 0.1563 -0.0118 -0.0424 147 PHE C CD1 +9471 C CD2 . PHE C 129 ? 1.0816 0.9374 0.9791 0.1675 -0.0143 -0.0436 147 PHE C CD2 +9472 C CE1 . PHE C 129 ? 1.1779 1.0484 1.0856 0.1571 -0.0085 -0.0444 147 PHE C CE1 +9473 C CE2 . PHE C 129 ? 1.1216 0.9796 1.0202 0.1684 -0.0109 -0.0457 147 PHE C CE2 +9474 C CZ . PHE C 129 ? 1.1947 1.0601 1.0985 0.1632 -0.0080 -0.0461 147 PHE C CZ +9475 N N . GLY C 130 ? 1.2070 1.0751 1.1144 0.1636 -0.0261 -0.0374 148 GLY C N +9476 C CA . GLY C 130 ? 0.9799 0.8462 0.8860 0.1617 -0.0291 -0.0351 148 GLY C CA +9477 C C . GLY C 130 ? 1.0679 0.9477 0.9840 0.1583 -0.0293 -0.0352 148 GLY C C +9478 O O . GLY C 130 ? 0.9054 0.7971 0.8304 0.1591 -0.0277 -0.0373 148 GLY C O +9479 N N . TYR C 131 ? 0.8684 0.7461 0.7829 0.1541 -0.0310 -0.0329 149 TYR C N +9480 C CA . TYR C 131 ? 1.0120 0.9014 0.9352 0.1508 -0.0315 -0.0328 149 TYR C CA +9481 C C . TYR C 131 ? 0.9633 0.8484 0.8831 0.1491 -0.0346 -0.0304 149 TYR C C +9482 O O . TYR C 131 ? 0.9197 0.7927 0.8304 0.1478 -0.0354 -0.0285 149 TYR C O +9483 C CB . TYR C 131 ? 0.9311 0.8254 0.8582 0.1441 -0.0282 -0.0329 149 TYR C CB +9484 C CG . TYR C 131 ? 0.9578 0.8416 0.8772 0.1386 -0.0273 -0.0307 149 TYR C CG +9485 C CD1 . TYR C 131 ? 0.9857 0.8680 0.9039 0.1338 -0.0286 -0.0285 149 TYR C CD1 +9486 C CD2 . TYR C 131 ? 0.9225 0.7978 0.8356 0.1382 -0.0251 -0.0310 149 TYR C CD2 +9487 C CE1 . TYR C 131 ? 0.9335 0.8065 0.8449 0.1288 -0.0278 -0.0266 149 TYR C CE1 +9488 C CE2 . TYR C 131 ? 0.9699 0.8357 0.8761 0.1331 -0.0244 -0.0292 149 TYR C CE2 +9489 C CZ . TYR C 131 ? 1.0058 0.8707 0.9113 0.1284 -0.0257 -0.0270 149 TYR C CZ +9490 O OH . TYR C 131 ? 0.9644 0.8205 0.8635 0.1234 -0.0251 -0.0252 149 TYR C OH +9491 N N . ASP C 132 ? 0.9976 0.8929 0.9248 0.1490 -0.0363 -0.0307 150 ASP C N +9492 C CA . ASP C 132 ? 1.0565 0.9502 0.9822 0.1462 -0.0388 -0.0285 150 ASP C CA +9493 C C . ASP C 132 ? 0.8485 0.7516 0.7814 0.1399 -0.0373 -0.0283 150 ASP C C +9494 O O . ASP C 132 ? 0.9083 0.8234 0.8504 0.1403 -0.0362 -0.0303 150 ASP C O +9495 C CB . ASP C 132 ? 1.0339 0.9309 0.9614 0.1517 -0.0425 -0.0288 150 ASP C CB +9496 C CG . ASP C 132 ? 1.0688 0.9644 0.9947 0.1489 -0.0450 -0.0267 150 ASP C CG +9497 O OD1 . ASP C 132 ? 1.3063 1.1901 1.2232 0.1475 -0.0459 -0.0244 150 ASP C OD1 +9498 O OD2 . ASP C 132 ? 1.2637 1.1700 1.1974 0.1479 -0.0461 -0.0272 150 ASP C OD2 +9499 N N . TRP C 133 ? 0.8573 0.7552 0.7862 0.1342 -0.0371 -0.0261 151 TRP C N +9500 C CA . TRP C 133 ? 0.8923 0.7982 0.8274 0.1282 -0.0358 -0.0258 151 TRP C CA +9501 C C . TRP C 133 ? 0.8797 0.7978 0.8238 0.1294 -0.0376 -0.0268 151 TRP C C +9502 O O . TRP C 133 ? 0.8312 0.7592 0.7830 0.1260 -0.0359 -0.0277 151 TRP C O +9503 C CB . TRP C 133 ? 0.7776 0.6759 0.7069 0.1228 -0.0363 -0.0230 151 TRP C CB +9504 C CG . TRP C 133 ? 0.7994 0.6864 0.7205 0.1202 -0.0345 -0.0219 151 TRP C CG +9505 C CD1 . TRP C 133 ? 0.7946 0.6691 0.7063 0.1206 -0.0357 -0.0201 151 TRP C CD1 +9506 C CD2 . TRP C 133 ? 0.7444 0.6313 0.6658 0.1167 -0.0311 -0.0225 151 TRP C CD2 +9507 N NE1 . TRP C 133 ? 0.8795 0.7466 0.7861 0.1174 -0.0334 -0.0196 151 TRP C NE1 +9508 C CE2 . TRP C 133 ? 0.7932 0.6676 0.7055 0.1151 -0.0307 -0.0211 151 TRP C CE2 +9509 C CE3 . TRP C 133 ? 0.8930 0.7891 0.8215 0.1148 -0.0285 -0.0241 151 TRP C CE3 +9510 C CZ2 . TRP C 133 ? 0.8135 0.6846 0.7235 0.1117 -0.0279 -0.0213 151 TRP C CZ2 +9511 C CZ3 . TRP C 133 ? 0.8613 0.7537 0.7872 0.1115 -0.0256 -0.0243 151 TRP C CZ3 +9512 C CH2 . TRP C 133 ? 0.9795 0.8596 0.8962 0.1100 -0.0254 -0.0229 151 TRP C CH2 +9513 N N . LYS C 134 ? 0.8830 0.8008 0.8263 0.1342 -0.0410 -0.0268 152 LYS C N +9514 C CA . LYS C 134 ? 0.9409 0.8700 0.8924 0.1352 -0.0430 -0.0277 152 LYS C CA +9515 C C . LYS C 134 ? 0.9411 0.8807 0.9008 0.1397 -0.0425 -0.0307 152 LYS C C +9516 O O . LYS C 134 ? 1.0476 0.9979 1.0152 0.1404 -0.0440 -0.0319 152 LYS C O +9517 C CB . LYS C 134 ? 0.9494 0.8739 0.8965 0.1383 -0.0470 -0.0264 152 LYS C CB +9518 C CG . LYS C 134 ? 1.1590 1.0749 1.0993 0.1336 -0.0477 -0.0235 152 LYS C CG +9519 C CD . LYS C 134 ? 1.3202 1.2333 1.2573 0.1367 -0.0517 -0.0224 152 LYS C CD +9520 C CE . LYS C 134 ? 1.6536 1.5522 1.5794 0.1360 -0.0524 -0.0198 152 LYS C CE +9521 N NZ . LYS C 134 ? 1.6378 1.5307 1.5582 0.1423 -0.0558 -0.0194 152 LYS C NZ +9522 N N . ASP C 135 ? 0.9109 0.8482 0.8692 0.1425 -0.0404 -0.0320 153 ASP C N +9523 C CA . ASP C 135 ? 0.8743 0.8215 0.8404 0.1469 -0.0397 -0.0349 153 ASP C CA +9524 C C . ASP C 135 ? 0.9485 0.9054 0.9225 0.1421 -0.0362 -0.0361 153 ASP C C +9525 O O . ASP C 135 ? 0.9103 0.8646 0.8826 0.1402 -0.0329 -0.0364 153 ASP C O +9526 C CB . ASP C 135 ? 0.9169 0.8570 0.8777 0.1522 -0.0390 -0.0358 153 ASP C CB +9527 C CG . ASP C 135 ? 0.8906 0.8408 0.8592 0.1570 -0.0381 -0.0389 153 ASP C CG +9528 O OD1 . ASP C 135 ? 0.8600 0.8232 0.8387 0.1559 -0.0378 -0.0404 153 ASP C OD1 +9529 O OD2 . ASP C 135 ? 1.0132 0.9584 0.9781 0.1619 -0.0376 -0.0398 153 ASP C OD2 +9530 N N . LYS C 136 ? 1.0021 0.9702 0.9846 0.1402 -0.0370 -0.0368 154 LYS C N +9531 C CA . LYS C 136 ? 0.9047 0.8820 0.8946 0.1352 -0.0338 -0.0378 154 LYS C CA +9532 C C . LYS C 136 ? 0.9689 0.9517 0.9634 0.1376 -0.0307 -0.0403 154 LYS C C +9533 O O . LYS C 136 ? 1.0729 1.0587 1.0700 0.1334 -0.0271 -0.0407 154 LYS C O +9534 C CB . LYS C 136 ? 0.7798 0.7683 0.7783 0.1334 -0.0355 -0.0384 154 LYS C CB +9535 C CG . LYS C 136 ? 0.8144 0.7984 0.8089 0.1310 -0.0385 -0.0360 154 LYS C CG +9536 C CD . LYS C 136 ? 0.7663 0.7618 0.7697 0.1283 -0.0396 -0.0367 154 LYS C CD +9537 C CE . LYS C 136 ? 0.8680 0.8594 0.8675 0.1266 -0.0429 -0.0346 154 LYS C CE +9538 N NZ . LYS C 136 ? 0.7594 0.7443 0.7532 0.1325 -0.0466 -0.0341 154 LYS C NZ +9539 N N . ASN C 137 ? 1.0010 0.9852 0.9965 0.1444 -0.0320 -0.0420 155 ASN C N +9540 C CA . ASN C 137 ? 0.9103 0.9001 0.9104 0.1470 -0.0289 -0.0445 155 ASN C CA +9541 C C . ASN C 137 ? 0.9025 0.8817 0.8945 0.1464 -0.0261 -0.0438 155 ASN C C +9542 O O . ASN C 137 ? 0.8591 0.8413 0.8535 0.1438 -0.0223 -0.0448 155 ASN C O +9543 C CB . ASN C 137 ? 1.0011 0.9959 1.0050 0.1547 -0.0312 -0.0466 155 ASN C CB +9544 C CG . ASN C 137 ? 1.0774 1.0767 1.0849 0.1581 -0.0281 -0.0491 155 ASN C CG +9545 O OD1 . ASN C 137 ? 0.8889 0.8978 0.9040 0.1555 -0.0250 -0.0507 155 ASN C OD1 +9546 N ND2 . ASN C 137 ? 1.1589 1.1507 1.1605 0.1640 -0.0289 -0.0495 155 ASN C ND2 +9547 N N . LYS C 138 ? 0.8932 0.8596 0.8751 0.1485 -0.0280 -0.0422 156 LYS C N +9548 C CA . LYS C 138 ? 0.8923 0.8478 0.8659 0.1480 -0.0256 -0.0415 156 LYS C CA +9549 C C . LYS C 138 ? 0.9245 0.8776 0.8964 0.1404 -0.0230 -0.0401 156 LYS C C +9550 O O . LYS C 138 ? 0.8972 0.8483 0.8675 0.1389 -0.0196 -0.0407 156 LYS C O +9551 C CB . LYS C 138 ? 0.8686 0.8108 0.8319 0.1513 -0.0284 -0.0399 156 LYS C CB +9552 C CG . LYS C 138 ? 0.8649 0.7955 0.8194 0.1519 -0.0263 -0.0396 156 LYS C CG +9553 C CD . LYS C 138 ? 0.9043 0.8407 0.8633 0.1545 -0.0231 -0.0423 156 LYS C CD +9554 C CE . LYS C 138 ? 1.0427 0.9672 0.9925 0.1565 -0.0216 -0.0423 156 LYS C CE +9555 N NZ . LYS C 138 ? 1.0932 1.0084 1.0360 0.1625 -0.0247 -0.0418 156 LYS C NZ +9556 N N . MET C 139 ? 0.9420 0.8954 0.9140 0.1357 -0.0244 -0.0382 157 MET C N +9557 C CA . MET C 139 ? 0.8535 0.8041 0.8234 0.1287 -0.0222 -0.0367 157 MET C CA +9558 C C . MET C 139 ? 0.8082 0.7690 0.7860 0.1256 -0.0186 -0.0383 157 MET C C +9559 O O . MET C 139 ? 0.8421 0.7996 0.8172 0.1218 -0.0157 -0.0379 157 MET C O +9560 C CB . MET C 139 ? 0.8925 0.8418 0.8614 0.1247 -0.0245 -0.0345 157 MET C CB +9561 C CG . MET C 139 ? 0.9112 0.8488 0.8711 0.1263 -0.0275 -0.0324 157 MET C CG +9562 S SD . MET C 139 ? 0.9650 0.8875 0.9135 0.1242 -0.0259 -0.0308 157 MET C SD +9563 C CE . MET C 139 ? 1.0514 0.9696 0.9966 0.1315 -0.0257 -0.0326 157 MET C CE +9564 N N . THR C 140 ? 0.7811 0.7544 0.7686 0.1271 -0.0188 -0.0401 158 THR C N +9565 C CA . THR C 140 ? 0.8008 0.7835 0.7955 0.1242 -0.0151 -0.0417 158 THR C CA +9566 C C . THR C 140 ? 0.8853 0.8675 0.8794 0.1276 -0.0122 -0.0436 158 THR C C +9567 O O . THR C 140 ? 0.8677 0.8536 0.8645 0.1246 -0.0085 -0.0444 158 THR C O +9568 C CB . THR C 140 ? 0.7978 0.7942 0.8033 0.1244 -0.0159 -0.0432 158 THR C CB +9569 O OG1 . THR C 140 ? 0.8712 0.8704 0.8790 0.1309 -0.0188 -0.0445 158 THR C OG1 +9570 C CG2 . THR C 140 ? 0.7948 0.7927 0.8015 0.1193 -0.0177 -0.0414 158 THR C CG2 +9571 N N . THR C 141 ? 0.8831 0.8605 0.8735 0.1338 -0.0136 -0.0443 159 THR C N +9572 C CA . THR C 141 ? 0.9041 0.8799 0.8931 0.1371 -0.0109 -0.0461 159 THR C CA +9573 C C . THR C 141 ? 0.7813 0.7458 0.7613 0.1339 -0.0088 -0.0447 159 THR C C +9574 O O . THR C 141 ? 0.8086 0.7742 0.7890 0.1326 -0.0051 -0.0458 159 THR C O +9575 C CB . THR C 141 ? 0.8819 0.8555 0.8693 0.1448 -0.0132 -0.0472 159 THR C CB +9576 O OG1 . THR C 141 ? 0.9245 0.9111 0.9221 0.1481 -0.0140 -0.0493 159 THR C OG1 +9577 C CG2 . THR C 141 ? 0.7736 0.7410 0.7559 0.1482 -0.0108 -0.0484 159 THR C CG2 +9578 N N . ILE C 142 ? 0.8517 0.8052 0.8233 0.1325 -0.0110 -0.0424 160 ILE C N +9579 C CA . ILE C 142 ? 0.8703 0.8132 0.8336 0.1288 -0.0093 -0.0410 160 ILE C CA +9580 C C . ILE C 142 ? 1.0091 0.9567 0.9756 0.1222 -0.0066 -0.0406 160 ILE C C +9581 O O . ILE C 142 ? 0.8464 0.7910 0.8101 0.1201 -0.0035 -0.0409 160 ILE C O +9582 C CB . ILE C 142 ? 0.9528 0.8841 0.9074 0.1281 -0.0123 -0.0386 160 ILE C CB +9583 C CG1 . ILE C 142 ? 0.8764 0.8019 0.8268 0.1349 -0.0148 -0.0390 160 ILE C CG1 +9584 C CG2 . ILE C 142 ? 0.8583 0.7794 0.8050 0.1237 -0.0106 -0.0372 160 ILE C CG2 +9585 C CD1 . ILE C 142 ? 0.9028 0.8161 0.8442 0.1344 -0.0175 -0.0366 160 ILE C CD1 +9586 N N . LEU C 143 ? 0.8483 0.8029 0.8204 0.1189 -0.0077 -0.0398 161 LEU C N +9587 C CA . LEU C 143 ? 0.7929 0.7534 0.7693 0.1130 -0.0052 -0.0396 161 LEU C CA +9588 C C . LEU C 143 ? 0.7923 0.7607 0.7743 0.1138 -0.0014 -0.0419 161 LEU C C +9589 O O . LEU C 143 ? 0.9118 0.8795 0.8927 0.1099 0.0017 -0.0419 161 LEU C O +9590 C CB . LEU C 143 ? 0.7580 0.7261 0.7406 0.1104 -0.0072 -0.0389 161 LEU C CB +9591 C CG . LEU C 143 ? 0.8665 0.8429 0.8553 0.1049 -0.0049 -0.0389 161 LEU C CG +9592 C CD1 . LEU C 143 ? 0.7483 0.7173 0.7310 0.0993 -0.0034 -0.0371 161 LEU C CD1 +9593 C CD2 . LEU C 143 ? 0.7355 0.7201 0.7310 0.1039 -0.0073 -0.0387 161 LEU C CD2 +9594 N N . GLY C 144 ? 0.9027 0.8786 0.8908 0.1188 -0.0016 -0.0441 162 GLY C N +9595 C CA . GLY C 144 ? 0.8162 0.8004 0.8102 0.1198 0.0021 -0.0464 162 GLY C CA +9596 C C . GLY C 144 ? 0.9199 0.8966 0.9075 0.1210 0.0049 -0.0470 162 GLY C C +9597 O O . GLY C 144 ? 0.8771 0.8571 0.8665 0.1186 0.0087 -0.0480 162 GLY C O +9598 N N . PHE C 145 ? 0.7304 0.6967 0.7101 0.1247 0.0032 -0.0466 163 PHE C N +9599 C CA . PHE C 145 ? 0.8472 0.8054 0.8199 0.1257 0.0057 -0.0471 163 PHE C CA +9600 C C . PHE C 145 ? 0.7916 0.7449 0.7598 0.1193 0.0077 -0.0457 163 PHE C C +9601 O O . PHE C 145 ? 0.8872 0.8401 0.8542 0.1183 0.0112 -0.0466 163 PHE C O +9602 C CB . PHE C 145 ? 0.8116 0.7582 0.7757 0.1300 0.0031 -0.0465 163 PHE C CB +9603 C CG . PHE C 145 ? 0.9893 0.9392 0.9563 0.1371 0.0014 -0.0481 163 PHE C CG +9604 C CD1 . PHE C 145 ? 1.1102 1.0705 1.0850 0.1404 0.0036 -0.0507 163 PHE C CD1 +9605 C CD2 . PHE C 145 ? 1.0397 0.9822 1.0016 0.1406 -0.0024 -0.0471 163 PHE C CD2 +9606 C CE1 . PHE C 145 ? 1.0312 0.9949 1.0090 0.1471 0.0019 -0.0523 163 PHE C CE1 +9607 C CE2 . PHE C 145 ? 1.0811 1.0264 1.0455 0.1474 -0.0041 -0.0486 163 PHE C CE2 +9608 C CZ . PHE C 145 ? 0.9674 0.9235 0.9399 0.1508 -0.0021 -0.0512 163 PHE C CZ +9609 N N . HIS C 146 ? 0.8511 0.8005 0.8168 0.1151 0.0055 -0.0433 164 HIS C N +9610 C CA . HIS C 146 ? 0.8225 0.7664 0.7832 0.1093 0.0070 -0.0418 164 HIS C CA +9611 C C . HIS C 146 ? 0.7510 0.7041 0.7182 0.1049 0.0099 -0.0423 164 HIS C C +9612 O O . HIS C 146 ? 0.8783 0.8282 0.8422 0.1012 0.0123 -0.0419 164 HIS C O +9613 C CB . HIS C 146 ? 0.6893 0.6261 0.6452 0.1065 0.0037 -0.0393 164 HIS C CB +9614 C CG . HIS C 146 ? 0.7196 0.6455 0.6676 0.1100 0.0014 -0.0387 164 HIS C CG +9615 N ND1 . HIS C 146 ? 0.8205 0.7402 0.7645 0.1091 -0.0019 -0.0367 164 HIS C ND1 +9616 C CD2 . HIS C 146 ? 0.8470 0.7667 0.7900 0.1145 0.0020 -0.0399 164 HIS C CD2 +9617 C CE1 . HIS C 146 ? 0.8605 0.7706 0.7973 0.1128 -0.0032 -0.0366 164 HIS C CE1 +9618 N NE2 . HIS C 146 ? 0.8905 0.8003 0.8266 0.1161 -0.0010 -0.0385 164 HIS C NE2 +9619 N N . LEU C 147 ? 0.7901 0.7545 0.7665 0.1052 0.0097 -0.0431 165 LEU C N +9620 C CA . LEU C 147 ? 0.7395 0.7130 0.7224 0.1014 0.0128 -0.0438 165 LEU C CA +9621 C C . LEU C 147 ? 0.8332 0.8092 0.8171 0.1033 0.0168 -0.0459 165 LEU C C +9622 O O . LEU C 147 ? 0.8722 0.8501 0.8566 0.0995 0.0201 -0.0460 165 LEU C O +9623 C CB . LEU C 147 ? 0.7327 0.7177 0.7253 0.1016 0.0115 -0.0444 165 LEU C CB +9624 C CG . LEU C 147 ? 0.8575 0.8428 0.8509 0.0975 0.0088 -0.0423 165 LEU C CG +9625 C CD1 . LEU C 147 ? 0.8626 0.8577 0.8645 0.0994 0.0066 -0.0431 165 LEU C CD1 +9626 C CD2 . LEU C 147 ? 0.6999 0.6867 0.6939 0.0912 0.0112 -0.0414 165 LEU C CD2 +9627 N N . ILE C 148 ? 0.8115 0.7874 0.7955 0.1093 0.0168 -0.0476 166 ILE C N +9628 C CA . ILE C 148 ? 0.8707 0.8484 0.8551 0.1114 0.0207 -0.0497 166 ILE C CA +9629 C C . ILE C 148 ? 0.7666 0.7333 0.7413 0.1096 0.0223 -0.0489 166 ILE C C +9630 O O . ILE C 148 ? 0.8102 0.7781 0.7847 0.1077 0.0261 -0.0498 166 ILE C O +9631 C CB . ILE C 148 ? 0.9140 0.8940 0.9007 0.1186 0.0200 -0.0517 166 ILE C CB +9632 C CG1 . ILE C 148 ? 0.7658 0.7593 0.7637 0.1202 0.0195 -0.0531 166 ILE C CG1 +9633 C CG2 . ILE C 148 ? 0.8337 0.8117 0.8177 0.1213 0.0237 -0.0536 166 ILE C CG2 +9634 C CD1 . ILE C 148 ? 0.8310 0.8266 0.8312 0.1272 0.0175 -0.0547 166 ILE C CD1 +9635 N N . VAL C 149 ? 0.7863 0.7418 0.7527 0.1100 0.0195 -0.0474 167 VAL C N +9636 C CA . VAL C 149 ? 0.8667 0.8115 0.8239 0.1077 0.0207 -0.0466 167 VAL C CA +9637 C C . VAL C 149 ? 0.9723 0.9181 0.9294 0.1011 0.0224 -0.0454 167 VAL C C +9638 O O . VAL C 149 ? 0.9319 0.8754 0.8859 0.0993 0.0254 -0.0458 167 VAL C O +9639 C CB . VAL C 149 ? 0.9288 0.8621 0.8779 0.1089 0.0171 -0.0451 167 VAL C CB +9640 C CG1 . VAL C 149 ? 0.9717 0.8945 0.9118 0.1054 0.0180 -0.0440 167 VAL C CG1 +9641 C CG2 . VAL C 149 ? 1.1738 1.1044 1.1213 0.1157 0.0161 -0.0465 167 VAL C CG2 +9642 N N . LEU C 150 ? 0.8216 0.7709 0.7822 0.0975 0.0204 -0.0437 168 LEU C N +9643 C CA . LEU C 150 ? 0.8392 0.7897 0.8000 0.0914 0.0218 -0.0425 168 LEU C CA +9644 C C . LEU C 150 ? 0.7952 0.7543 0.7616 0.0903 0.0260 -0.0441 168 LEU C C +9645 O O . LEU C 150 ? 0.8068 0.7638 0.7702 0.0866 0.0285 -0.0437 168 LEU C O +9646 C CB . LEU C 150 ? 0.8548 0.8086 0.8192 0.0883 0.0190 -0.0408 168 LEU C CB +9647 C CG . LEU C 150 ? 0.8556 0.8004 0.8138 0.0876 0.0152 -0.0388 168 LEU C CG +9648 C CD1 . LEU C 150 ? 0.7331 0.6833 0.6965 0.0856 0.0127 -0.0375 168 LEU C CD1 +9649 C CD2 . LEU C 150 ? 0.8063 0.7423 0.7568 0.0836 0.0159 -0.0374 168 LEU C CD2 +9650 N N . GLY C 151 ? 0.7448 0.7138 0.7194 0.0933 0.0268 -0.0458 169 GLY C N +9651 C CA . GLY C 151 ? 0.8115 0.7892 0.7919 0.0923 0.0310 -0.0474 169 GLY C CA +9652 C C . GLY C 151 ? 0.8133 0.7865 0.7887 0.0939 0.0344 -0.0487 169 GLY C C +9653 O O . GLY C 151 ? 0.9236 0.8990 0.8993 0.0909 0.0380 -0.0490 169 GLY C O +9654 N N . ILE C 152 ? 0.8637 0.8305 0.8342 0.0987 0.0335 -0.0495 170 ILE C N +9655 C CA . ILE C 152 ? 0.8464 0.8072 0.8106 0.1002 0.0364 -0.0506 170 ILE C CA +9656 C C . ILE C 152 ? 0.8303 0.7826 0.7867 0.0953 0.0369 -0.0489 170 ILE C C +9657 O O . ILE C 152 ? 0.8822 0.8334 0.8359 0.0939 0.0404 -0.0496 170 ILE C O +9658 C CB . ILE C 152 ? 0.8759 0.8300 0.8355 0.1061 0.0346 -0.0514 170 ILE C CB +9659 C CG1 . ILE C 152 ? 0.9315 0.8943 0.8986 0.1116 0.0348 -0.0535 170 ILE C CG1 +9660 C CG2 . ILE C 152 ? 0.9652 0.9104 0.9162 0.1069 0.0369 -0.0521 170 ILE C CG2 +9661 C CD1 . ILE C 152 ? 0.8576 0.8136 0.8203 0.1175 0.0321 -0.0540 170 ILE C CD1 +9662 N N . GLY C 153 ? 0.9188 0.8652 0.8714 0.0927 0.0334 -0.0468 171 GLY C N +9663 C CA . GLY C 153 ? 0.8334 0.7718 0.7787 0.0882 0.0336 -0.0453 171 GLY C CA +9664 C C . GLY C 153 ? 0.8599 0.8038 0.8082 0.0834 0.0364 -0.0449 171 GLY C C +9665 O O . GLY C 153 ? 0.8087 0.7481 0.7517 0.0811 0.0387 -0.0449 171 GLY C O +9666 N N . ALA C 154 ? 0.8235 0.7770 0.7802 0.0817 0.0364 -0.0447 172 ALA C N +9667 C CA . ALA C 154 ? 0.7854 0.7443 0.7451 0.0772 0.0393 -0.0444 172 ALA C CA +9668 C C . ALA C 154 ? 0.7786 0.7409 0.7394 0.0786 0.0439 -0.0464 172 ALA C C +9669 O O . ALA C 154 ? 0.9400 0.9020 0.8989 0.0751 0.0468 -0.0462 172 ALA C O +9670 C CB . ALA C 154 ? 0.7243 0.6930 0.6931 0.0755 0.0383 -0.0440 172 ALA C CB +9671 N N . LEU C 155 ? 0.9030 0.8684 0.8665 0.0837 0.0448 -0.0484 173 LEU C N +9672 C CA . LEU C 155 ? 0.8554 0.8241 0.8199 0.0852 0.0494 -0.0504 173 LEU C CA +9673 C C . LEU C 155 ? 0.7711 0.7295 0.7256 0.0857 0.0508 -0.0506 173 LEU C C +9674 O O . LEU C 155 ? 0.8623 0.8218 0.8157 0.0852 0.0549 -0.0516 173 LEU C O +9675 C CB . LEU C 155 ? 0.8673 0.8433 0.8384 0.0907 0.0499 -0.0526 173 LEU C CB +9676 C CG . LEU C 155 ? 0.8786 0.8663 0.8605 0.0899 0.0492 -0.0528 173 LEU C CG +9677 C CD1 . LEU C 155 ? 0.8432 0.8390 0.8322 0.0953 0.0500 -0.0552 173 LEU C CD1 +9678 C CD2 . LEU C 155 ? 0.7076 0.7013 0.6934 0.0846 0.0521 -0.0523 173 LEU C CD2 +9679 N N . LEU C 156 ? 0.8253 0.7736 0.7724 0.0865 0.0476 -0.0496 174 LEU C N +9680 C CA . LEU C 156 ? 0.8192 0.7573 0.7565 0.0864 0.0486 -0.0496 174 LEU C CA +9681 C C . LEU C 156 ? 0.9217 0.8578 0.8556 0.0808 0.0503 -0.0484 174 LEU C C +9682 O O . LEU C 156 ? 0.8966 0.8287 0.8253 0.0805 0.0532 -0.0491 174 LEU C O +9683 C CB . LEU C 156 ? 0.8515 0.7794 0.7819 0.0879 0.0447 -0.0487 174 LEU C CB +9684 C CG . LEU C 156 ? 0.9973 0.9253 0.9293 0.0939 0.0432 -0.0500 174 LEU C CG +9685 C CD1 . LEU C 156 ? 0.8102 0.7274 0.7348 0.0950 0.0393 -0.0490 174 LEU C CD1 +9686 C CD2 . LEU C 156 ? 0.9988 0.9279 0.9302 0.0979 0.0469 -0.0525 174 LEU C CD2 +9687 N N . LEU C 157 ? 0.9647 0.9035 0.9016 0.0766 0.0485 -0.0466 175 LEU C N +9688 C CA . LEU C 157 ? 0.8333 0.7710 0.7677 0.0715 0.0502 -0.0454 175 LEU C CA +9689 C C . LEU C 157 ? 0.8553 0.8005 0.7940 0.0709 0.0550 -0.0467 175 LEU C C +9690 O O . LEU C 157 ? 0.8054 0.7472 0.7391 0.0687 0.0577 -0.0467 175 LEU C O +9691 C CB . LEU C 157 ? 0.8733 0.8128 0.8104 0.0674 0.0473 -0.0433 175 LEU C CB +9692 C CG . LEU C 157 ? 0.7933 0.7329 0.7289 0.0622 0.0491 -0.0421 175 LEU C CG +9693 C CD1 . LEU C 157 ? 0.7012 0.6302 0.6269 0.0604 0.0481 -0.0412 175 LEU C CD1 +9694 C CD2 . LEU C 157 ? 1.0223 0.9674 0.9636 0.0587 0.0473 -0.0406 175 LEU C CD2 +9695 N N . VAL C 158 ? 0.8293 0.7846 0.7770 0.0727 0.0562 -0.0479 176 VAL C N +9696 C CA . VAL C 158 ? 0.8010 0.7639 0.7534 0.0723 0.0610 -0.0493 176 VAL C CA +9697 C C . VAL C 158 ? 0.9645 0.9234 0.9117 0.0754 0.0642 -0.0510 176 VAL C C +9698 O O . VAL C 158 ? 0.8549 0.8141 0.8001 0.0735 0.0682 -0.0515 176 VAL C O +9699 C CB . VAL C 158 ? 0.9353 0.9100 0.8988 0.0741 0.0613 -0.0504 176 VAL C CB +9700 C CG1 . VAL C 158 ? 0.7749 0.7574 0.7432 0.0738 0.0666 -0.0521 176 VAL C CG1 +9701 C CG2 . VAL C 158 ? 0.8293 0.8083 0.7980 0.0707 0.0584 -0.0488 176 VAL C CG2 +9702 N N . ALA C 159 ? 0.8361 0.7907 0.7806 0.0801 0.0626 -0.0520 177 ALA C N +9703 C CA . ALA C 159 ? 0.8459 0.7960 0.7850 0.0835 0.0653 -0.0538 177 ALA C CA +9704 C C . ALA C 159 ? 0.9446 0.8847 0.8735 0.0807 0.0660 -0.0529 177 ALA C C +9705 O O . ALA C 159 ? 0.8913 0.8304 0.8169 0.0808 0.0700 -0.0540 177 ALA C O +9706 C CB . ALA C 159 ? 0.7534 0.6999 0.6911 0.0890 0.0628 -0.0548 177 ALA C CB +9707 N N . LYS C 160 ? 0.8520 0.7847 0.7757 0.0782 0.0622 -0.0510 178 LYS C N +9708 C CA . LYS C 160 ? 0.9543 0.8783 0.8689 0.0751 0.0626 -0.0501 178 LYS C CA +9709 C C . LYS C 160 ? 0.9804 0.9086 0.8963 0.0711 0.0662 -0.0497 178 LYS C C +9710 O O . LYS C 160 ? 0.9861 0.9097 0.8956 0.0703 0.0689 -0.0501 178 LYS C O +9711 C CB . LYS C 160 ? 0.7629 0.6800 0.6732 0.0725 0.0579 -0.0480 178 LYS C CB +9712 C CG . LYS C 160 ? 0.7801 0.6884 0.6813 0.0694 0.0580 -0.0471 178 LYS C CG +9713 C CD . LYS C 160 ? 0.9420 0.8417 0.8350 0.0726 0.0586 -0.0486 178 LYS C CD +9714 C CE . LYS C 160 ? 0.8395 0.7302 0.7231 0.0696 0.0583 -0.0479 178 LYS C CE +9715 N NZ . LYS C 160 ? 0.8741 0.7680 0.7576 0.0667 0.0621 -0.0478 178 LYS C NZ +9716 N N . ALA C 161 ? 0.8758 0.8126 0.7997 0.0685 0.0662 -0.0489 179 ALA C N +9717 C CA . ALA C 161 ? 0.9414 0.8814 0.8661 0.0642 0.0692 -0.0481 179 ALA C CA +9718 C C . ALA C 161 ? 0.8778 0.8230 0.8048 0.0655 0.0746 -0.0500 179 ALA C C +9719 O O . ALA C 161 ? 0.9023 0.8460 0.8255 0.0629 0.0779 -0.0498 179 ALA C O +9720 C CB . ALA C 161 ? 0.7296 0.6770 0.6622 0.0611 0.0677 -0.0468 179 ALA C CB +9721 N N . MET C 162 ? 0.8830 0.8347 0.8163 0.0696 0.0758 -0.0518 180 MET C N +9722 C CA . MET C 162 ? 0.9154 0.8741 0.8529 0.0707 0.0810 -0.0536 180 MET C CA +9723 C C . MET C 162 ? 0.9402 0.8942 0.8721 0.0749 0.0835 -0.0555 180 MET C C +9724 O O . MET C 162 ? 0.9973 0.9544 0.9296 0.0750 0.0883 -0.0568 180 MET C O +9725 C CB . MET C 162 ? 0.9353 0.9058 0.8845 0.0724 0.0811 -0.0547 180 MET C CB +9726 C CG . MET C 162 ? 0.9578 0.9340 0.9134 0.0683 0.0792 -0.0530 180 MET C CG +9727 S SD . MET C 162 ? 0.9561 0.9469 0.9257 0.0699 0.0799 -0.0545 180 MET C SD +9728 C CE . MET C 162 ? 0.8185 0.8155 0.7907 0.0691 0.0870 -0.0563 180 MET C CE +9729 N N . PHE C 163 ? 0.8552 0.8017 0.7818 0.0783 0.0804 -0.0558 181 PHE C N +9730 C CA . PHE C 163 ? 0.9542 0.8971 0.8766 0.0830 0.0826 -0.0579 181 PHE C CA +9731 C C . PHE C 163 ? 1.1389 1.0689 1.0497 0.0837 0.0806 -0.0576 181 PHE C C +9732 O O . PHE C 163 ? 1.1252 1.0511 1.0309 0.0867 0.0831 -0.0592 181 PHE C O +9733 C CB . PHE C 163 ? 0.8618 0.8100 0.7907 0.0882 0.0814 -0.0595 181 PHE C CB +9734 C CG . PHE C 163 ? 0.9452 0.9067 0.8861 0.0881 0.0830 -0.0601 181 PHE C CG +9735 C CD1 . PHE C 163 ? 0.9539 0.9225 0.8989 0.0871 0.0882 -0.0612 181 PHE C CD1 +9736 C CD2 . PHE C 163 ? 1.2124 1.1789 1.1603 0.0887 0.0792 -0.0595 181 PHE C CD2 +9737 C CE1 . PHE C 163 ? 1.0663 1.0473 1.0225 0.0867 0.0896 -0.0619 181 PHE C CE1 +9738 C CE2 . PHE C 163 ? 1.0306 1.0093 0.9895 0.0885 0.0804 -0.0602 181 PHE C CE2 +9739 C CZ . PHE C 163 ? 1.1285 1.1146 1.0918 0.0874 0.0856 -0.0614 181 PHE C CZ +9740 N N . PHE C 164 ? 0.8285 0.7520 0.7350 0.0809 0.0764 -0.0556 182 PHE C N +9741 C CA . PHE C 164 ? 0.9981 0.9097 0.8944 0.0817 0.0740 -0.0554 182 PHE C CA +9742 C C . PHE C 164 ? 0.7742 0.6795 0.6640 0.0767 0.0729 -0.0536 182 PHE C C +9743 O O . PHE C 164 ? 1.0087 0.9069 0.8937 0.0754 0.0689 -0.0523 182 PHE C O +9744 C CB . PHE C 164 ? 0.9406 0.8491 0.8375 0.0843 0.0693 -0.0550 182 PHE C CB +9745 C CG . PHE C 164 ? 1.2228 1.1357 1.1245 0.0898 0.0699 -0.0570 182 PHE C CG +9746 C CD1 . PHE C 164 ? 1.2136 1.1209 1.1096 0.0941 0.0714 -0.0588 182 PHE C CD1 +9747 C CD2 . PHE C 164 ? 1.0114 0.9339 0.9230 0.0910 0.0690 -0.0570 182 PHE C CD2 +9748 C CE1 . PHE C 164 ? 1.1764 1.0877 1.0768 0.0995 0.0720 -0.0606 182 PHE C CE1 +9749 C CE2 . PHE C 164 ? 1.2910 1.2176 1.2071 0.0964 0.0694 -0.0588 182 PHE C CE2 +9750 C CZ . PHE C 164 ? 1.1818 1.1029 1.0923 0.1007 0.0710 -0.0606 182 PHE C CZ +9751 N N . GLY C 165 ? 0.8396 0.7473 0.7289 0.0739 0.0766 -0.0534 183 GLY C N +9752 C CA . GLY C 165 ? 0.9926 0.8938 0.8745 0.0698 0.0761 -0.0520 183 GLY C CA +9753 C C . GLY C 165 ? 0.8874 0.7931 0.7735 0.0649 0.0754 -0.0500 183 GLY C C +9754 O O . GLY C 165 ? 0.9253 0.8275 0.8062 0.0615 0.0764 -0.0491 183 GLY C O +9755 N N . GLY C 166 ? 1.0734 0.9866 0.9684 0.0645 0.0736 -0.0494 184 GLY C N +9756 C CA . GLY C 166 ? 0.8750 0.7930 0.7744 0.0600 0.0731 -0.0475 184 GLY C CA +9757 C C . GLY C 166 ? 0.8725 0.7854 0.7693 0.0575 0.0681 -0.0455 184 GLY C C +9758 O O . GLY C 166 ? 0.8682 0.7762 0.7626 0.0595 0.0646 -0.0455 184 GLY C O +9759 N N . LEU C 167 ? 0.9264 0.8407 0.8238 0.0530 0.0678 -0.0439 185 LEU C N +9760 C CA . LEU C 167 ? 0.8706 0.7818 0.7670 0.0502 0.0634 -0.0419 185 LEU C CA +9761 C C . LEU C 167 ? 0.8312 0.7375 0.7212 0.0463 0.0638 -0.0406 185 LEU C C +9762 O O . LEU C 167 ? 0.7852 0.6931 0.6741 0.0450 0.0677 -0.0409 185 LEU C O +9763 C CB . LEU C 167 ? 0.6952 0.6149 0.6010 0.0488 0.0620 -0.0409 185 LEU C CB +9764 C CG . LEU C 167 ? 0.7079 0.6332 0.6207 0.0526 0.0612 -0.0421 185 LEU C CG +9765 C CD1 . LEU C 167 ? 0.6980 0.6321 0.6199 0.0508 0.0604 -0.0412 185 LEU C CD1 +9766 C CD2 . LEU C 167 ? 0.7336 0.6519 0.6424 0.0551 0.0572 -0.0420 185 LEU C CD2 +9767 N N . TYR C 168 ? 0.7449 0.6452 0.6307 0.0443 0.0599 -0.0391 186 TYR C N +9768 C CA . TYR C 168 ? 0.8274 0.7239 0.7080 0.0405 0.0600 -0.0378 186 TYR C CA +9769 C C . TYR C 168 ? 0.8158 0.7194 0.7026 0.0371 0.0610 -0.0365 186 TYR C C +9770 O O . TYR C 168 ? 0.8776 0.7858 0.7707 0.0364 0.0586 -0.0357 186 TYR C O +9771 C CB . TYR C 168 ? 0.8300 0.7187 0.7047 0.0391 0.0556 -0.0367 186 TYR C CB +9772 C CG . TYR C 168 ? 0.9522 0.8370 0.8213 0.0356 0.0559 -0.0356 186 TYR C CG +9773 C CD1 . TYR C 168 ? 0.7826 0.6613 0.6435 0.0360 0.0579 -0.0364 186 TYR C CD1 +9774 C CD2 . TYR C 168 ? 0.7240 0.6113 0.5957 0.0320 0.0544 -0.0337 186 TYR C CD2 +9775 C CE1 . TYR C 168 ? 0.8233 0.6983 0.6786 0.0330 0.0581 -0.0355 186 TYR C CE1 +9776 C CE2 . TYR C 168 ? 0.8549 0.7386 0.7212 0.0290 0.0547 -0.0327 186 TYR C CE2 +9777 C CZ . TYR C 168 ? 0.8974 0.7749 0.7555 0.0296 0.0565 -0.0336 186 TYR C CZ +9778 O OH . TYR C 168 ? 0.8125 0.6862 0.6648 0.0268 0.0567 -0.0326 186 TYR C OH +9779 N N . ASP C 169 ? 0.8851 0.7893 0.7698 0.0351 0.0644 -0.0364 187 ASP C N +9780 C CA . ASP C 169 ? 0.7255 0.6363 0.6157 0.0320 0.0660 -0.0354 187 ASP C CA +9781 C C . ASP C 169 ? 0.9345 0.8401 0.8186 0.0283 0.0652 -0.0337 187 ASP C C +9782 O O . ASP C 169 ? 0.7360 0.6380 0.6140 0.0276 0.0679 -0.0340 187 ASP C O +9783 C CB . ASP C 169 ? 0.7218 0.6385 0.6155 0.0328 0.0712 -0.0367 187 ASP C CB +9784 C CG . ASP C 169 ? 0.8297 0.7531 0.7292 0.0294 0.0730 -0.0357 187 ASP C CG +9785 O OD1 . ASP C 169 ? 0.8438 0.7688 0.7464 0.0271 0.0700 -0.0342 187 ASP C OD1 +9786 O OD2 . ASP C 169 ? 0.8463 0.7734 0.7472 0.0291 0.0776 -0.0365 187 ASP C OD2 +9787 N N . THR C 170 ? 0.8061 0.7114 0.6917 0.0261 0.0614 -0.0321 188 THR C N +9788 C CA . THR C 170 ? 0.8481 0.7489 0.7284 0.0228 0.0602 -0.0305 188 THR C CA +9789 C C . THR C 170 ? 0.7400 0.6441 0.6211 0.0203 0.0639 -0.0300 188 THR C C +9790 O O . THR C 170 ? 0.7556 0.6550 0.6305 0.0181 0.0642 -0.0291 188 THR C O +9791 C CB . THR C 170 ? 0.8133 0.7144 0.6963 0.0210 0.0556 -0.0289 188 THR C CB +9792 O OG1 . THR C 170 ? 0.7927 0.6883 0.6696 0.0183 0.0540 -0.0275 188 THR C OG1 +9793 C CG2 . THR C 170 ? 0.6629 0.5725 0.5550 0.0196 0.0560 -0.0283 188 THR C CG2 +9794 N N . TRP C 171 ? 0.8491 0.7611 0.7376 0.0205 0.0669 -0.0306 189 TRP C N +9795 C CA . TRP C 171 ? 0.7371 0.6529 0.6273 0.0179 0.0707 -0.0302 189 TRP C CA +9796 C C . TRP C 171 ? 0.9571 0.8717 0.8435 0.0190 0.0756 -0.0316 189 TRP C C +9797 O O . TRP C 171 ? 0.8989 0.8167 0.7866 0.0170 0.0793 -0.0314 189 TRP C O +9798 C CB . TRP C 171 ? 0.7671 0.6924 0.6678 0.0173 0.0714 -0.0303 189 TRP C CB +9799 C CG . TRP C 171 ? 0.8792 0.8064 0.7841 0.0157 0.0671 -0.0289 189 TRP C CG +9800 C CD1 . TRP C 171 ? 0.7887 0.7181 0.6982 0.0176 0.0636 -0.0291 189 TRP C CD1 +9801 C CD2 . TRP C 171 ? 0.7818 0.7085 0.6863 0.0120 0.0659 -0.0271 189 TRP C CD2 +9802 N NE1 . TRP C 171 ? 0.8568 0.7872 0.7689 0.0152 0.0605 -0.0275 189 TRP C NE1 +9803 C CE2 . TRP C 171 ? 0.8231 0.7520 0.7323 0.0119 0.0617 -0.0263 189 TRP C CE2 +9804 C CE3 . TRP C 171 ? 0.7626 0.6869 0.6630 0.0090 0.0679 -0.0260 189 TRP C CE3 +9805 C CZ2 . TRP C 171 ? 0.7361 0.6652 0.6462 0.0088 0.0596 -0.0245 189 TRP C CZ2 +9806 C CZ3 . TRP C 171 ? 0.8456 0.7701 0.7470 0.0060 0.0657 -0.0242 189 TRP C CZ3 +9807 C CH2 . TRP C 171 ? 0.7886 0.7155 0.6949 0.0059 0.0616 -0.0236 189 TRP C CH2 +9808 N N . ALA C 172 ? 0.8645 0.7750 0.7465 0.0222 0.0759 -0.0329 190 ALA C N +9809 C CA . ALA C 172 ? 1.0331 0.9432 0.9120 0.0236 0.0808 -0.0344 190 ALA C CA +9810 C C . ALA C 172 ? 0.9482 0.8527 0.8190 0.0211 0.0828 -0.0334 190 ALA C C +9811 O O . ALA C 172 ? 0.9863 0.8838 0.8503 0.0200 0.0798 -0.0324 190 ALA C O +9812 C CB . ALA C 172 ? 0.7719 0.6777 0.6468 0.0276 0.0804 -0.0360 190 ALA C CB +9813 N N . PRO C 173 ? 1.2035 1.1109 1.0748 0.0200 0.0879 -0.0338 191 PRO C N +9814 C CA . PRO C 173 ? 1.2491 1.1506 1.1119 0.0179 0.0901 -0.0330 191 PRO C CA +9815 C C . PRO C 173 ? 1.1893 1.0814 1.0417 0.0198 0.0889 -0.0335 191 PRO C C +9816 O O . PRO C 173 ? 1.1903 1.0812 1.0416 0.0231 0.0894 -0.0351 191 PRO C O +9817 C CB . PRO C 173 ? 1.2718 1.1783 1.1373 0.0177 0.0963 -0.0340 191 PRO C CB +9818 C CG . PRO C 173 ? 1.4032 1.3198 1.2806 0.0182 0.0965 -0.0347 191 PRO C CG +9819 C CD . PRO C 173 ? 1.2988 1.2149 1.1783 0.0210 0.0919 -0.0352 191 PRO C CD +9820 N N . GLY C 174 ? 1.0962 0.9815 0.9411 0.0178 0.0869 -0.0321 192 GLY C N +9821 C CA . GLY C 174 ? 1.0123 0.8886 0.8472 0.0192 0.0853 -0.0325 192 GLY C CA +9822 C C . GLY C 174 ? 1.0760 0.9484 0.9095 0.0198 0.0794 -0.0321 192 GLY C C +9823 O O . GLY C 174 ? 1.6093 1.4747 1.4355 0.0216 0.0780 -0.0329 192 GLY C O +9824 N N . GLY C 175 ? 1.2603 1.1366 1.1003 0.0184 0.0761 -0.0310 193 GLY C N +9825 C CA . GLY C 175 ? 0.9179 0.7902 0.7561 0.0184 0.0706 -0.0303 193 GLY C CA +9826 C C . GLY C 175 ? 1.0576 0.9328 0.9018 0.0205 0.0680 -0.0311 193 GLY C C +9827 O O . GLY C 175 ? 1.1302 1.0024 0.9734 0.0203 0.0635 -0.0305 193 GLY C O +9828 N N . GLY C 176 ? 0.9102 0.7914 0.7607 0.0226 0.0706 -0.0323 194 GLY C N +9829 C CA . GLY C 176 ? 0.8661 0.7498 0.7219 0.0249 0.0681 -0.0330 194 GLY C CA +9830 C C . GLY C 176 ? 1.0633 0.9431 0.9150 0.0286 0.0690 -0.0350 194 GLY C C +9831 O O . GLY C 176 ? 0.8318 0.7038 0.6746 0.0290 0.0686 -0.0354 194 GLY C O +9832 N N . ASP C 177 ? 0.9223 0.8071 0.7802 0.0313 0.0699 -0.0362 195 ASP C N +9833 C CA . ASP C 177 ? 0.9442 0.8261 0.7987 0.0350 0.0715 -0.0382 195 ASP C CA +9834 C C . ASP C 177 ? 0.9548 0.8429 0.8174 0.0379 0.0714 -0.0392 195 ASP C C +9835 O O . ASP C 177 ? 0.8761 0.7718 0.7472 0.0369 0.0712 -0.0386 195 ASP C O +9836 C CB . ASP C 177 ? 0.9951 0.8768 0.8460 0.0353 0.0768 -0.0391 195 ASP C CB +9837 C CG . ASP C 177 ? 1.0428 0.9177 0.8860 0.0384 0.0778 -0.0408 195 ASP C CG +9838 O OD1 . ASP C 177 ? 0.9863 0.8573 0.8279 0.0405 0.0746 -0.0414 195 ASP C OD1 +9839 O OD2 . ASP C 177 ? 1.0719 0.9451 0.9104 0.0385 0.0818 -0.0415 195 ASP C OD2 +9840 N N . VAL C 178 ? 0.9899 0.8746 0.8497 0.0416 0.0715 -0.0409 196 VAL C N +9841 C CA . VAL C 178 ? 0.9440 0.8345 0.8111 0.0449 0.0719 -0.0421 196 VAL C CA +9842 C C . VAL C 178 ? 0.8836 0.7814 0.7554 0.0456 0.0772 -0.0432 196 VAL C C +9843 O O . VAL C 178 ? 1.0588 0.9542 0.9255 0.0457 0.0809 -0.0439 196 VAL C O +9844 C CB . VAL C 178 ? 0.8383 0.7225 0.7004 0.0487 0.0705 -0.0436 196 VAL C CB +9845 C CG1 . VAL C 178 ? 0.8066 0.6968 0.6762 0.0524 0.0709 -0.0449 196 VAL C CG1 +9846 C CG2 . VAL C 178 ? 0.9332 0.8101 0.7906 0.0476 0.0654 -0.0425 196 VAL C CG2 +9847 N N . ARG C 179 ? 0.8540 0.7609 0.7357 0.0461 0.0776 -0.0433 197 ARG C N +9848 C CA . ARG C 179 ? 0.8664 0.7815 0.7542 0.0463 0.0823 -0.0443 197 ARG C CA +9849 C C . ARG C 179 ? 1.0041 0.9264 0.9005 0.0498 0.0821 -0.0456 197 ARG C C +9850 O O . ARG C 179 ? 0.9103 0.8341 0.8108 0.0502 0.0781 -0.0450 197 ARG C O +9851 C CB . ARG C 179 ? 0.9024 0.8225 0.7942 0.0418 0.0833 -0.0427 197 ARG C CB +9852 C CG . ARG C 179 ? 0.9175 0.8474 0.8175 0.0416 0.0877 -0.0436 197 ARG C CG +9853 C CD . ARG C 179 ? 0.8869 0.8189 0.7876 0.0369 0.0896 -0.0421 197 ARG C CD +9854 N NE . ARG C 179 ? 0.8728 0.8080 0.7786 0.0343 0.0860 -0.0405 197 ARG C NE +9855 C CZ . ARG C 179 ? 0.8755 0.8193 0.7912 0.0345 0.0854 -0.0407 197 ARG C CZ +9856 N NH1 . ARG C 179 ? 0.8924 0.8431 0.8145 0.0373 0.0878 -0.0426 197 ARG C NH1 +9857 N NH2 . ARG C 179 ? 0.8158 0.7615 0.7351 0.0320 0.0820 -0.0391 197 ARG C NH2 +9858 N N . VAL C 180 ? 0.8516 0.7782 0.7505 0.0524 0.0863 -0.0475 198 VAL C N +9859 C CA . VAL C 180 ? 0.9836 0.9181 0.8912 0.0558 0.0867 -0.0490 198 VAL C CA +9860 C C . VAL C 180 ? 0.8564 0.8013 0.7739 0.0532 0.0879 -0.0485 198 VAL C C +9861 O O . VAL C 180 ? 1.0075 0.9548 0.9253 0.0501 0.0914 -0.0481 198 VAL C O +9862 C CB . VAL C 180 ? 0.9338 0.8688 0.8400 0.0597 0.0908 -0.0513 198 VAL C CB +9863 C CG1 . VAL C 180 ? 0.8009 0.7455 0.7172 0.0632 0.0916 -0.0530 198 VAL C CG1 +9864 C CG2 . VAL C 180 ? 0.8747 0.7993 0.7714 0.0625 0.0890 -0.0519 198 VAL C CG2 +9865 N N . ILE C 181 ? 0.8725 0.8232 0.7978 0.0544 0.0850 -0.0485 199 ILE C N +9866 C CA . ILE C 181 ? 0.8935 0.8539 0.8284 0.0520 0.0856 -0.0480 199 ILE C CA +9867 C C . ILE C 181 ? 0.8900 0.8598 0.8328 0.0547 0.0894 -0.0503 199 ILE C C +9868 O O . ILE C 181 ? 0.8774 0.8505 0.8246 0.0587 0.0879 -0.0515 199 ILE C O +9869 C CB . ILE C 181 ? 1.0020 0.9638 0.9411 0.0516 0.0803 -0.0468 199 ILE C CB +9870 C CG1 . ILE C 181 ? 0.8871 0.8395 0.8183 0.0492 0.0765 -0.0448 199 ILE C CG1 +9871 C CG2 . ILE C 181 ? 0.8502 0.8221 0.7991 0.0489 0.0809 -0.0464 199 ILE C CG2 +9872 C CD1 . ILE C 181 ? 0.8954 0.8450 0.8221 0.0447 0.0785 -0.0434 199 ILE C CD1 +9873 N N . THR C 182 ? 0.8644 0.8387 0.8091 0.0525 0.0943 -0.0507 200 THR C N +9874 C CA . THR C 182 ? 0.9969 0.9800 0.9488 0.0551 0.0983 -0.0530 200 THR C CA +9875 C C . THR C 182 ? 0.9610 0.9558 0.9248 0.0538 0.0984 -0.0533 200 THR C C +9876 O O . THR C 182 ? 1.0475 1.0499 1.0189 0.0572 0.0992 -0.0552 200 THR C O +9877 C CB . THR C 182 ? 0.8953 0.8774 0.8431 0.0540 0.1043 -0.0537 200 THR C CB +9878 O OG1 . THR C 182 ? 0.9983 0.9824 0.9470 0.0488 0.1063 -0.0524 200 THR C OG1 +9879 C CG2 . THR C 182 ? 0.9127 0.8829 0.8483 0.0551 0.1039 -0.0534 200 THR C CG2 +9880 N N . ASN C 183 ? 0.8871 0.8835 0.8530 0.0491 0.0973 -0.0515 201 ASN C N +9881 C CA . ASN C 183 ? 0.8907 0.8978 0.8676 0.0474 0.0970 -0.0517 201 ASN C CA +9882 C C . ASN C 183 ? 0.9203 0.9262 0.8986 0.0458 0.0914 -0.0499 201 ASN C C +9883 O O . ASN C 183 ? 0.8163 0.8215 0.7941 0.0413 0.0908 -0.0482 201 ASN C O +9884 C CB . ASN C 183 ? 0.8941 0.9057 0.8735 0.0430 0.1018 -0.0516 201 ASN C CB +9885 C CG . ASN C 183 ? 1.3023 1.3203 1.2857 0.0448 0.1073 -0.0539 201 ASN C CG +9886 O OD1 . ASN C 183 ? 1.3806 1.3933 1.3570 0.0459 0.1106 -0.0544 201 ASN C OD1 +9887 N ND2 . ASN C 183 ? 1.4698 1.4992 1.4644 0.0454 0.1084 -0.0554 201 ASN C ND2 +9888 N N . PRO C 184 ? 0.9639 0.9696 0.9440 0.0495 0.0873 -0.0503 202 PRO C N +9889 C CA . PRO C 184 ? 0.9286 0.9340 0.9107 0.0482 0.0821 -0.0487 202 PRO C CA +9890 C C . PRO C 184 ? 0.9207 0.9365 0.9130 0.0458 0.0823 -0.0489 202 PRO C C +9891 O O . PRO C 184 ? 0.9009 0.9259 0.9012 0.0471 0.0851 -0.0507 202 PRO C O +9892 C CB . PRO C 184 ? 1.0071 1.0107 0.9892 0.0534 0.0785 -0.0495 202 PRO C CB +9893 C CG . PRO C 184 ? 0.8800 0.8886 0.8655 0.0574 0.0822 -0.0520 202 PRO C CG +9894 C CD . PRO C 184 ? 0.8876 0.8937 0.8682 0.0552 0.0873 -0.0523 202 PRO C CD +9895 N N . THR C 185 ? 0.8340 0.8485 0.8263 0.0422 0.0794 -0.0469 203 THR C N +9896 C CA . THR C 185 ? 0.8720 0.8955 0.8733 0.0394 0.0792 -0.0469 203 THR C CA +9897 C C . THR C 185 ? 0.9157 0.9468 0.9255 0.0430 0.0765 -0.0482 203 THR C C +9898 O O . THR C 185 ? 0.9337 0.9610 0.9416 0.0456 0.0721 -0.0477 203 THR C O +9899 C CB . THR C 185 ? 0.7550 0.7744 0.7535 0.0352 0.0763 -0.0444 203 THR C CB +9900 O OG1 . THR C 185 ? 0.7916 0.8036 0.7817 0.0322 0.0786 -0.0432 203 THR C OG1 +9901 C CG2 . THR C 185 ? 0.7828 0.8111 0.7900 0.0321 0.0765 -0.0445 203 THR C CG2 +9902 N N . LEU C 186 ? 0.8261 0.8678 0.8453 0.0432 0.0791 -0.0500 204 LEU C N +9903 C CA . LEU C 186 ? 0.8509 0.9005 0.8786 0.0468 0.0766 -0.0515 204 LEU C CA +9904 C C . LEU C 186 ? 0.8727 0.9315 0.9097 0.0438 0.0757 -0.0516 204 LEU C C +9905 O O . LEU C 186 ? 0.8765 0.9410 0.9199 0.0463 0.0726 -0.0524 204 LEU C O +9906 C CB . LEU C 186 ? 0.9847 1.0399 1.0164 0.0510 0.0799 -0.0542 204 LEU C CB +9907 C CG . LEU C 186 ? 1.0790 1.1259 1.1026 0.0553 0.0799 -0.0545 204 LEU C CG +9908 C CD1 . LEU C 186 ? 1.0610 1.1142 1.0891 0.0593 0.0836 -0.0572 204 LEU C CD1 +9909 C CD2 . LEU C 186 ? 1.0027 1.0441 1.0233 0.0585 0.0742 -0.0537 204 LEU C CD2 +9910 N N . ASP C 187 ? 0.7632 0.8233 0.8007 0.0386 0.0784 -0.0508 205 ASP C N +9911 C CA . ASP C 187 ? 0.8263 0.8940 0.8716 0.0351 0.0776 -0.0507 205 ASP C CA +9912 C C . ASP C 187 ? 0.8408 0.9059 0.8856 0.0354 0.0717 -0.0492 205 ASP C C +9913 O O . ASP C 187 ? 1.0122 1.0683 1.0492 0.0336 0.0695 -0.0470 205 ASP C O +9914 C CB . ASP C 187 ? 0.9291 0.9950 0.9718 0.0294 0.0811 -0.0495 205 ASP C CB +9915 C CG . ASP C 187 ? 0.9929 1.0672 1.0441 0.0256 0.0812 -0.0497 205 ASP C CG +9916 O OD1 . ASP C 187 ? 0.9874 1.0693 1.0467 0.0274 0.0785 -0.0509 205 ASP C OD1 +9917 O OD2 . ASP C 187 ? 1.2278 1.3010 1.2773 0.0208 0.0840 -0.0488 205 ASP C OD2 +9918 N N . PRO C 188 ? 0.9045 0.9773 0.9575 0.0375 0.0689 -0.0503 206 PRO C N +9919 C CA . PRO C 188 ? 1.0639 1.1337 1.1159 0.0381 0.0632 -0.0489 206 PRO C CA +9920 C C . PRO C 188 ? 0.9040 0.9725 0.9554 0.0328 0.0620 -0.0470 206 PRO C C +9921 O O . PRO C 188 ? 0.8818 0.9450 0.9295 0.0326 0.0577 -0.0453 206 PRO C O +9922 C CB . PRO C 188 ? 0.9087 0.9883 0.9702 0.0417 0.0611 -0.0509 206 PRO C CB +9923 C CG . PRO C 188 ? 1.0075 1.0970 1.0770 0.0406 0.0657 -0.0531 206 PRO C CG +9924 C CD . PRO C 188 ? 0.9385 1.0230 1.0019 0.0395 0.0707 -0.0530 206 PRO C CD +9925 N N . ARG C 189 ? 0.8814 0.9543 0.9361 0.0285 0.0656 -0.0473 207 ARG C N +9926 C CA . ARG C 189 ? 0.8781 0.9484 0.9310 0.0234 0.0648 -0.0454 207 ARG C CA +9927 C C . ARG C 189 ? 0.9357 0.9942 0.9774 0.0220 0.0643 -0.0430 207 ARG C C +9928 O O . ARG C 189 ? 1.0151 1.0690 1.0535 0.0196 0.0613 -0.0411 207 ARG C O +9929 C CB . ARG C 189 ? 0.8244 0.9012 0.8824 0.0191 0.0692 -0.0462 207 ARG C CB +9930 C CG . ARG C 189 ? 0.9957 1.0844 1.0652 0.0190 0.0688 -0.0481 207 ARG C CG +9931 C CD . ARG C 189 ? 1.4337 1.5304 1.5095 0.0208 0.0731 -0.0507 207 ARG C CD +9932 N NE . ARG C 189 ? 1.4205 1.5152 1.4931 0.0176 0.0787 -0.0505 207 ARG C NE +9933 C CZ . ARG C 189 ? 1.6171 1.7168 1.6929 0.0186 0.0833 -0.0524 207 ARG C CZ +9934 N NH1 . ARG C 189 ? 1.5273 1.6349 1.6103 0.0228 0.0832 -0.0548 207 ARG C NH1 +9935 N NH2 . ARG C 189 ? 1.7052 1.8019 1.7769 0.0155 0.0883 -0.0520 207 ARG C NH2 +9936 N N . VAL C 190 ? 0.9731 1.0265 1.0089 0.0234 0.0671 -0.0432 208 VAL C N +9937 C CA . VAL C 190 ? 0.9019 0.9440 0.9270 0.0225 0.0663 -0.0412 208 VAL C CA +9938 C C . VAL C 190 ? 0.9155 0.9521 0.9369 0.0258 0.0614 -0.0404 208 VAL C C +9939 O O . VAL C 190 ? 0.8024 0.8331 0.8192 0.0240 0.0582 -0.0384 208 VAL C O +9940 C CB . VAL C 190 ? 0.8952 0.9333 0.9147 0.0231 0.0708 -0.0417 208 VAL C CB +9941 C CG1 . VAL C 190 ? 0.7972 0.8236 0.8057 0.0225 0.0694 -0.0398 208 VAL C CG1 +9942 C CG2 . VAL C 190 ? 0.8157 0.8584 0.8381 0.0192 0.0758 -0.0422 208 VAL C CG2 +9943 N N . ILE C 191 ? 0.7981 0.8367 0.8216 0.0306 0.0606 -0.0419 209 ILE C N +9944 C CA . ILE C 191 ? 0.8064 0.8387 0.8252 0.0340 0.0564 -0.0412 209 ILE C CA +9945 C C . ILE C 191 ? 0.9010 0.9343 0.9224 0.0332 0.0517 -0.0400 209 ILE C C +9946 O O . ILE C 191 ? 0.8941 0.9199 0.9095 0.0325 0.0486 -0.0382 209 ILE C O +9947 C CB . ILE C 191 ? 0.7767 0.8116 0.7978 0.0395 0.0567 -0.0432 209 ILE C CB +9948 C CG1 . ILE C 191 ? 0.8676 0.8991 0.8839 0.0405 0.0610 -0.0441 209 ILE C CG1 +9949 C CG2 . ILE C 191 ? 0.8395 0.8689 0.8571 0.0431 0.0519 -0.0426 209 ILE C CG2 +9950 C CD1 . ILE C 191 ? 0.7190 0.7390 0.7243 0.0390 0.0609 -0.0423 209 ILE C CD1 +9951 N N . PHE C 192 ? 0.8724 0.9152 0.9029 0.0331 0.0512 -0.0412 210 PHE C N +9952 C CA . PHE C 192 ? 0.7632 0.8073 0.7964 0.0326 0.0468 -0.0402 210 PHE C CA +9953 C C . PHE C 192 ? 0.7686 0.8119 0.8012 0.0273 0.0467 -0.0386 210 PHE C C +9954 O O . PHE C 192 ? 0.7802 0.8216 0.8122 0.0264 0.0429 -0.0372 210 PHE C O +9955 C CB . PHE C 192 ? 0.8174 0.8718 0.8603 0.0353 0.0458 -0.0423 210 PHE C CB +9956 C CG . PHE C 192 ? 1.0650 1.1193 1.1080 0.0411 0.0449 -0.0436 210 PHE C CG +9957 C CD1 . PHE C 192 ? 0.9844 1.0338 1.0241 0.0442 0.0404 -0.0428 210 PHE C CD1 +9958 C CD2 . PHE C 192 ? 1.1721 1.2308 1.2180 0.0434 0.0485 -0.0457 210 PHE C CD2 +9959 C CE1 . PHE C 192 ? 0.9389 0.9876 0.9781 0.0496 0.0396 -0.0440 210 PHE C CE1 +9960 C CE2 . PHE C 192 ? 1.0515 1.1097 1.0971 0.0489 0.0476 -0.0470 210 PHE C CE2 +9961 C CZ . PHE C 192 ? 0.9069 0.9600 0.9490 0.0520 0.0431 -0.0461 210 PHE C CZ +9962 N N . GLY C 193 ? 0.8454 0.8894 0.8775 0.0238 0.0508 -0.0386 211 GLY C N +9963 C CA . GLY C 193 ? 0.7867 0.8281 0.8165 0.0188 0.0509 -0.0368 211 GLY C CA +9964 C C . GLY C 193 ? 0.9018 0.9327 0.9224 0.0181 0.0484 -0.0346 211 GLY C C +9965 O O . GLY C 193 ? 0.8394 0.8681 0.8585 0.0150 0.0466 -0.0330 211 GLY C O +9966 N N . TYR C 194 ? 0.7976 0.8219 0.8119 0.0210 0.0481 -0.0344 212 TYR C N +9967 C CA . TYR C 194 ? 0.6634 0.6782 0.6695 0.0205 0.0454 -0.0324 212 TYR C CA +9968 C C . TYR C 194 ? 0.8159 0.8305 0.8235 0.0214 0.0405 -0.0315 212 TYR C C +9969 O O . TYR C 194 ? 0.6818 0.6906 0.6847 0.0195 0.0382 -0.0297 212 TYR C O +9970 C CB . TYR C 194 ? 0.7258 0.7342 0.7255 0.0237 0.0459 -0.0327 212 TYR C CB +9971 C CG . TYR C 194 ? 0.6639 0.6679 0.6580 0.0220 0.0497 -0.0326 212 TYR C CG +9972 C CD1 . TYR C 194 ? 0.6910 0.6875 0.6778 0.0191 0.0493 -0.0308 212 TYR C CD1 +9973 C CD2 . TYR C 194 ? 0.7729 0.7803 0.7687 0.0235 0.0537 -0.0344 212 TYR C CD2 +9974 C CE1 . TYR C 194 ? 0.7489 0.7412 0.7301 0.0178 0.0526 -0.0307 212 TYR C CE1 +9975 C CE2 . TYR C 194 ? 0.6337 0.6368 0.6238 0.0222 0.0572 -0.0343 212 TYR C CE2 +9976 C CZ . TYR C 194 ? 0.7941 0.7896 0.7769 0.0194 0.0566 -0.0325 212 TYR C CZ +9977 O OH . TYR C 194 ? 0.7490 0.7402 0.7259 0.0182 0.0601 -0.0324 212 TYR C OH +9978 N N . LEU C 195 ? 0.8341 0.8548 0.8479 0.0245 0.0390 -0.0329 213 LEU C N +9979 C CA . LEU C 195 ? 0.7336 0.7540 0.7486 0.0260 0.0344 -0.0322 213 LEU C CA +9980 C C . LEU C 195 ? 0.7346 0.7587 0.7535 0.0224 0.0330 -0.0314 213 LEU C C +9981 O O . LEU C 195 ? 0.7434 0.7654 0.7614 0.0226 0.0293 -0.0302 213 LEU C O +9982 C CB . LEU C 195 ? 0.8498 0.8758 0.8704 0.0305 0.0332 -0.0340 213 LEU C CB +9983 C CG . LEU C 195 ? 0.8186 0.8403 0.8355 0.0353 0.0325 -0.0346 213 LEU C CG +9984 C CD1 . LEU C 195 ? 1.0693 1.0887 1.0828 0.0356 0.0365 -0.0354 213 LEU C CD1 +9985 C CD2 . LEU C 195 ? 1.0396 1.0685 1.0634 0.0393 0.0311 -0.0364 213 LEU C CD2 +9986 N N . LEU C 196 ? 0.7090 0.7385 0.7321 0.0193 0.0360 -0.0319 214 LEU C N +9987 C CA . LEU C 196 ? 0.8026 0.8357 0.8294 0.0158 0.0349 -0.0313 214 LEU C CA +9988 C C . LEU C 196 ? 0.7819 0.8095 0.8034 0.0114 0.0360 -0.0295 214 LEU C C +9989 O O . LEU C 196 ? 0.8638 0.8937 0.8877 0.0082 0.0354 -0.0289 214 LEU C O +9990 C CB . LEU C 196 ? 0.8271 0.8705 0.8631 0.0150 0.0370 -0.0333 214 LEU C CB +9991 C CG . LEU C 196 ? 0.9441 0.9939 0.9862 0.0195 0.0357 -0.0352 214 LEU C CG +9992 C CD1 . LEU C 196 ? 1.0731 1.1336 1.1248 0.0183 0.0371 -0.0371 214 LEU C CD1 +9993 C CD2 . LEU C 196 ? 1.0024 1.0495 1.0431 0.0222 0.0308 -0.0344 214 LEU C CD2 +9994 N N . LYS C 197 ? 0.8253 0.8456 0.8394 0.0112 0.0376 -0.0287 215 LYS C N +9995 C CA . LYS C 197 ? 0.7469 0.7614 0.7553 0.0075 0.0381 -0.0268 215 LYS C CA +9996 C C . LYS C 197 ? 0.6616 0.6714 0.6669 0.0070 0.0339 -0.0250 215 LYS C C +9997 O O . LYS C 197 ? 0.6901 0.6972 0.6937 0.0099 0.0310 -0.0248 215 LYS C O +9998 C CB . LYS C 197 ? 0.7401 0.7479 0.7412 0.0077 0.0405 -0.0265 215 LYS C CB +9999 C CG . LYS C 197 ? 0.8158 0.8265 0.8181 0.0065 0.0454 -0.0276 215 LYS C CG +10000 C CD . LYS C 197 ? 0.8048 0.8087 0.7997 0.0076 0.0474 -0.0275 215 LYS C CD +10001 C CE . LYS C 197 ? 0.8677 0.8650 0.8556 0.0042 0.0483 -0.0258 215 LYS C CE +10002 N NZ . LYS C 197 ? 0.9028 0.8943 0.8839 0.0053 0.0507 -0.0260 215 LYS C NZ +10003 N N . SER C 198 ? 0.6758 0.6844 0.6800 0.0033 0.0337 -0.0237 216 SER C N +10004 C CA . SER C 198 ? 0.6723 0.6757 0.6726 0.0024 0.0302 -0.0219 216 SER C CA +10005 C C . SER C 198 ? 0.6939 0.6889 0.6864 0.0039 0.0293 -0.0209 216 SER C C +10006 O O . SER C 198 ? 0.7143 0.7063 0.7030 0.0040 0.0319 -0.0212 216 SER C O +10007 C CB . SER C 198 ? 0.6717 0.6743 0.6710 -0.0019 0.0309 -0.0207 216 SER C CB +10008 O OG . SER C 198 ? 0.8066 0.8028 0.8005 -0.0028 0.0281 -0.0188 216 SER C OG +10009 N N A PRO C 199 ? 0.6940 0.6851 0.6839 0.0050 0.0257 -0.0198 217 PRO C N +10010 N N B PRO C 199 ? 0.6943 0.6854 0.6843 0.0051 0.0257 -0.0198 217 PRO C N +10011 C CA A PRO C 199 ? 0.6947 0.6776 0.6771 0.0057 0.0247 -0.0188 217 PRO C CA +10012 C CA B PRO C 199 ? 0.6938 0.6767 0.6762 0.0059 0.0247 -0.0188 217 PRO C CA +10013 C C A PRO C 199 ? 0.7104 0.6880 0.6875 0.0025 0.0246 -0.0171 217 PRO C C +10014 C C B PRO C 199 ? 0.7118 0.6894 0.6889 0.0026 0.0246 -0.0171 217 PRO C C +10015 O O A PRO C 199 ? 0.7318 0.7027 0.7029 0.0028 0.0233 -0.0161 217 PRO C O +10016 O O B PRO C 199 ? 0.7339 0.7048 0.7050 0.0030 0.0234 -0.0162 217 PRO C O +10017 C CB A PRO C 199 ? 0.7034 0.6849 0.6860 0.0083 0.0209 -0.0184 217 PRO C CB +10018 C CB B PRO C 199 ? 0.7018 0.6833 0.6844 0.0084 0.0209 -0.0185 217 PRO C CB +10019 C CG A PRO C 199 ? 0.6899 0.6773 0.6784 0.0073 0.0193 -0.0184 217 PRO C CG +10020 C CG B PRO C 199 ? 0.6887 0.6761 0.6772 0.0074 0.0193 -0.0184 217 PRO C CG +10021 C CD A PRO C 199 ? 0.6811 0.6755 0.6753 0.0062 0.0224 -0.0198 217 PRO C CD +10022 C CD B PRO C 199 ? 0.6807 0.6751 0.6749 0.0062 0.0224 -0.0198 217 PRO C CD +10023 N N A PHE C 200 ? 0.6727 0.6528 0.6517 -0.0007 0.0258 -0.0167 218 PHE C N +10024 N N B PHE C 200 ? 0.6723 0.6524 0.6513 -0.0006 0.0258 -0.0167 218 PHE C N +10025 C CA A PHE C 200 ? 0.6760 0.6513 0.6502 -0.0037 0.0254 -0.0150 218 PHE C CA +10026 C CA B PHE C 200 ? 0.6767 0.6519 0.6509 -0.0035 0.0254 -0.0150 218 PHE C CA +10027 C C A PHE C 200 ? 0.6805 0.6525 0.6502 -0.0050 0.0286 -0.0150 218 PHE C C +10028 C C B PHE C 200 ? 0.6818 0.6538 0.6515 -0.0049 0.0286 -0.0150 218 PHE C C +10029 O O A PHE C 200 ? 0.6765 0.6500 0.6467 -0.0038 0.0313 -0.0162 218 PHE C O +10030 O O B PHE C 200 ? 0.6773 0.6508 0.6476 -0.0037 0.0313 -0.0163 218 PHE C O +10031 C CB A PHE C 200 ? 0.6041 0.5831 0.5823 -0.0062 0.0246 -0.0144 218 PHE C CB +10032 C CB B PHE C 200 ? 0.6022 0.5811 0.5803 -0.0061 0.0246 -0.0144 218 PHE C CB +10033 C CG A PHE C 200 ? 0.6409 0.6207 0.6211 -0.0052 0.0209 -0.0139 218 PHE C CG +10034 C CG B PHE C 200 ? 0.6401 0.6197 0.6202 -0.0051 0.0209 -0.0139 218 PHE C CG +10035 C CD1 A PHE C 200 ? 0.6532 0.6277 0.6290 -0.0058 0.0183 -0.0123 218 PHE C CD1 +10036 C CD1 B PHE C 200 ? 0.6532 0.6273 0.6287 -0.0056 0.0183 -0.0123 218 PHE C CD1 +10037 C CD2 A PHE C 200 ? 0.6970 0.6830 0.6836 -0.0035 0.0200 -0.0150 218 PHE C CD2 +10038 C CD2 B PHE C 200 ? 0.6970 0.6828 0.6834 -0.0036 0.0199 -0.0150 218 PHE C CD2 +10039 C CE1 A PHE C 200 ? 0.7084 0.6833 0.6858 -0.0049 0.0150 -0.0117 218 PHE C CE1 +10040 C CE1 B PHE C 200 ? 0.7076 0.6821 0.6847 -0.0047 0.0150 -0.0117 218 PHE C CE1 +10041 C CE2 A PHE C 200 ? 0.7416 0.7279 0.7296 -0.0025 0.0165 -0.0145 218 PHE C CE2 +10042 C CE2 B PHE C 200 ? 0.7418 0.7279 0.7296 -0.0025 0.0165 -0.0144 218 PHE C CE2 +10043 C CZ A PHE C 200 ? 0.7572 0.7378 0.7404 -0.0032 0.0141 -0.0128 218 PHE C CZ +10044 C CZ B PHE C 200 ? 0.7569 0.7372 0.7399 -0.0031 0.0141 -0.0128 218 PHE C CZ +10045 N N A GLY C 201 ? 0.6336 0.6010 0.5986 -0.0075 0.0283 -0.0135 219 GLY C N +10046 N N B GLY C 201 ? 0.6349 0.6023 0.5999 -0.0073 0.0283 -0.0135 219 GLY C N +10047 C CA A GLY C 201 ? 0.6244 0.5873 0.5837 -0.0085 0.0308 -0.0133 219 GLY C CA +10048 C CA B GLY C 201 ? 0.6229 0.5857 0.5821 -0.0083 0.0307 -0.0133 219 GLY C CA +10049 C C A GLY C 201 ? 0.6701 0.6369 0.6318 -0.0095 0.0348 -0.0144 219 GLY C C +10050 C C B GLY C 201 ? 0.6701 0.6368 0.6318 -0.0095 0.0348 -0.0144 219 GLY C C +10051 O O A GLY C 201 ? 0.7244 0.6967 0.6916 -0.0110 0.0358 -0.0147 219 GLY C O +10052 O O B GLY C 201 ? 0.7276 0.6999 0.6948 -0.0109 0.0357 -0.0147 219 GLY C O +10053 N N A GLY C 202 ? 0.6683 0.6320 0.6258 -0.0088 0.0373 -0.0149 220 GLY C N +10054 N N B GLY C 202 ? 0.6685 0.6323 0.6260 -0.0088 0.0373 -0.0149 220 GLY C N +10055 C CA A GLY C 202 ? 0.6949 0.6618 0.6541 -0.0096 0.0416 -0.0159 220 GLY C CA +10056 C CA B GLY C 202 ? 0.6955 0.6626 0.6549 -0.0096 0.0415 -0.0159 220 GLY C CA +10057 C C A GLY C 202 ? 0.6999 0.6736 0.6658 -0.0074 0.0429 -0.0178 220 GLY C C +10058 C C B GLY C 202 ? 0.6996 0.6733 0.6655 -0.0075 0.0428 -0.0178 220 GLY C C +10059 O O A GLY C 202 ? 0.8153 0.7918 0.7827 -0.0077 0.0466 -0.0189 220 GLY C O +10060 O O B GLY C 202 ? 0.8173 0.7938 0.7847 -0.0078 0.0466 -0.0189 220 GLY C O +10061 N N . GLU C 203 ? 0.6140 0.5902 0.5837 -0.0051 0.0399 -0.0182 221 GLU C N +10062 C CA . GLU C 203 ? 0.6328 0.6155 0.6088 -0.0027 0.0407 -0.0200 221 GLU C CA +10063 C C . GLU C 203 ? 0.7126 0.6922 0.6861 0.0011 0.0390 -0.0205 221 GLU C C +10064 O O . GLU C 203 ? 0.7013 0.6810 0.6741 0.0031 0.0413 -0.0217 221 GLU C O +10065 C CB . GLU C 203 ? 0.6260 0.6152 0.6094 -0.0031 0.0388 -0.0202 221 GLU C CB +10066 C CG . GLU C 203 ? 0.8010 0.7930 0.7869 -0.0069 0.0401 -0.0197 221 GLU C CG +10067 C CD . GLU C 203 ? 1.0268 1.0237 1.0161 -0.0080 0.0445 -0.0211 221 GLU C CD +10068 O OE1 . GLU C 203 ? 1.0297 1.0316 1.0237 -0.0056 0.0456 -0.0228 221 GLU C OE1 +10069 O OE2 . GLU C 203 ? 1.3659 1.3613 1.3531 -0.0112 0.0470 -0.0205 221 GLU C OE2 +10070 N N . GLY C 204 ? 0.6882 0.6651 0.6606 0.0022 0.0351 -0.0196 222 GLY C N +10071 C CA . GLY C 204 ? 0.7138 0.6858 0.6821 0.0051 0.0334 -0.0197 222 GLY C CA +10072 C C . GLY C 204 ? 0.6758 0.6515 0.6481 0.0089 0.0331 -0.0213 222 GLY C C +10073 O O . GLY C 204 ? 0.7115 0.6828 0.6801 0.0115 0.0321 -0.0215 222 GLY C O +10074 N N . TRP C 205 ? 0.6824 0.6661 0.6624 0.0092 0.0338 -0.0224 223 TRP C N +10075 C CA . TRP C 205 ? 0.6335 0.6215 0.6181 0.0130 0.0332 -0.0239 223 TRP C CA +10076 C C . TRP C 205 ? 0.6975 0.6832 0.6790 0.0157 0.0354 -0.0251 223 TRP C C +10077 O O . TRP C 205 ? 0.7305 0.7155 0.7100 0.0143 0.0389 -0.0255 223 TRP C O +10078 C CB . TRP C 205 ? 0.6729 0.6587 0.6571 0.0148 0.0288 -0.0231 223 TRP C CB +10079 C CG . TRP C 205 ? 0.8302 0.8211 0.8199 0.0184 0.0274 -0.0245 223 TRP C CG +10080 C CD1 . TRP C 205 ? 0.6986 0.6982 0.6961 0.0190 0.0285 -0.0260 223 TRP C CD1 +10081 C CD2 . TRP C 205 ? 0.7293 0.7168 0.7170 0.0219 0.0246 -0.0244 223 TRP C CD2 +10082 N NE1 . TRP C 205 ? 0.6884 0.6902 0.6887 0.0230 0.0264 -0.0269 223 TRP C NE1 +10083 C CE2 . TRP C 205 ? 0.6807 0.6749 0.6749 0.0248 0.0240 -0.0259 223 TRP C CE2 +10084 C CE3 . TRP C 205 ? 0.6424 0.6216 0.6232 0.0228 0.0225 -0.0233 223 TRP C CE3 +10085 C CZ2 . TRP C 205 ? 0.7540 0.7467 0.7478 0.0287 0.0214 -0.0263 223 TRP C CZ2 +10086 C CZ3 . TRP C 205 ? 0.7917 0.7693 0.7722 0.0265 0.0200 -0.0237 223 TRP C CZ3 +10087 C CH2 . TRP C 205 ? 0.7461 0.7302 0.7329 0.0295 0.0195 -0.0251 223 TRP C CH2 +10088 N N . ILE C 206 ? 0.6475 0.6314 0.6283 0.0194 0.0336 -0.0257 224 ILE C N +10089 C CA . ILE C 206 ? 0.7113 0.6928 0.6891 0.0222 0.0357 -0.0270 224 ILE C CA +10090 C C . ILE C 206 ? 0.7100 0.6825 0.6789 0.0214 0.0360 -0.0260 224 ILE C C +10091 O O . ILE C 206 ? 0.7543 0.7245 0.7200 0.0229 0.0383 -0.0270 224 ILE C O +10092 C CB . ILE C 206 ? 0.7535 0.7359 0.7333 0.0268 0.0338 -0.0281 224 ILE C CB +10093 C CG1 . ILE C 206 ? 0.6719 0.6473 0.6467 0.0278 0.0298 -0.0267 224 ILE C CG1 +10094 C CG2 . ILE C 206 ? 0.6991 0.6908 0.6878 0.0279 0.0332 -0.0291 224 ILE C CG2 +10095 C CD1 . ILE C 206 ? 0.6367 0.6116 0.6122 0.0324 0.0280 -0.0277 224 ILE C CD1 +10096 N N . VAL C 207 ? 0.7375 0.7050 0.7024 0.0190 0.0336 -0.0242 225 VAL C N +10097 C CA . VAL C 207 ? 0.6697 0.6288 0.6263 0.0180 0.0336 -0.0234 225 VAL C CA +10098 C C . VAL C 207 ? 0.6778 0.6368 0.6322 0.0159 0.0373 -0.0236 225 VAL C C +10099 O O . VAL C 207 ? 0.7196 0.6722 0.6672 0.0158 0.0381 -0.0234 225 VAL C O +10100 C CB . VAL C 207 ? 0.6928 0.6477 0.6466 0.0158 0.0302 -0.0214 225 VAL C CB +10101 C CG1 . VAL C 207 ? 0.5802 0.5269 0.5258 0.0144 0.0300 -0.0205 225 VAL C CG1 +10102 C CG2 . VAL C 207 ? 0.6114 0.5659 0.5668 0.0181 0.0266 -0.0212 225 VAL C CG2 +10103 N N . SER C 208 ? 0.6673 0.6329 0.6271 0.0142 0.0397 -0.0240 226 SER C N +10104 C CA . SER C 208 ? 0.6482 0.6135 0.6058 0.0119 0.0434 -0.0241 226 SER C CA +10105 C C . SER C 208 ? 0.6658 0.6324 0.6232 0.0140 0.0471 -0.0258 226 SER C C +10106 O O . SER C 208 ? 0.7051 0.6716 0.6607 0.0122 0.0506 -0.0260 226 SER C O +10107 C CB . SER C 208 ? 0.6414 0.6129 0.6047 0.0088 0.0446 -0.0237 226 SER C CB +10108 O OG . SER C 208 ? 0.7024 0.6822 0.6737 0.0102 0.0458 -0.0253 226 SER C OG +10109 N N . VAL C 209 ? 0.6525 0.6202 0.6116 0.0178 0.0467 -0.0272 227 VAL C N +10110 C CA . VAL C 209 ? 0.7536 0.7228 0.7126 0.0200 0.0503 -0.0289 227 VAL C CA +10111 C C . VAL C 209 ? 0.7659 0.7273 0.7161 0.0193 0.0520 -0.0286 227 VAL C C +10112 O O . VAL C 209 ? 0.7288 0.6828 0.6726 0.0197 0.0495 -0.0277 227 VAL C O +10113 C CB . VAL C 209 ? 0.7619 0.7328 0.7235 0.0245 0.0492 -0.0304 227 VAL C CB +10114 C CG1 . VAL C 209 ? 0.7046 0.6674 0.6599 0.0263 0.0457 -0.0297 227 VAL C CG1 +10115 C CG2 . VAL C 209 ? 0.6966 0.6697 0.6587 0.0268 0.0533 -0.0323 227 VAL C CG2 +10116 N N . ASN C 210 ? 0.6750 0.6380 0.6246 0.0180 0.0563 -0.0292 228 ASN C N +10117 C CA . ASN C 210 ? 0.7624 0.7182 0.7036 0.0165 0.0578 -0.0285 228 ASN C CA +10118 C C . ASN C 210 ? 0.7717 0.7271 0.7105 0.0182 0.0621 -0.0301 228 ASN C C +10119 O O . ASN C 210 ? 0.7250 0.6760 0.6577 0.0166 0.0644 -0.0297 228 ASN C O +10120 C CB . ASN C 210 ? 0.7574 0.7135 0.6981 0.0121 0.0587 -0.0271 228 ASN C CB +10121 C CG . ASN C 210 ? 0.8089 0.7726 0.7559 0.0106 0.0626 -0.0279 228 ASN C CG +10122 O OD1 . ASN C 210 ? 0.8292 0.7993 0.7823 0.0127 0.0643 -0.0295 228 ASN C OD1 +10123 N ND2 . ASN C 210 ? 0.7791 0.7423 0.7247 0.0070 0.0641 -0.0268 228 ASN C ND2 +10124 N N . ASN C 211 ? 0.6723 0.6320 0.6154 0.0216 0.0631 -0.0319 229 ASN C N +10125 C CA . ASN C 211 ? 0.8268 0.7864 0.7679 0.0235 0.0673 -0.0335 229 ASN C CA +10126 C C . ASN C 211 ? 0.6970 0.6583 0.6407 0.0281 0.0665 -0.0351 229 ASN C C +10127 O O . ASN C 211 ? 0.8706 0.8367 0.8206 0.0295 0.0640 -0.0354 229 ASN C O +10128 C CB . ASN C 211 ? 0.6408 0.6074 0.5869 0.0214 0.0719 -0.0341 229 ASN C CB +10129 C CG . ASN C 211 ? 0.7664 0.7431 0.7231 0.0223 0.0719 -0.0352 229 ASN C CG +10130 O OD1 . ASN C 211 ? 0.8225 0.8033 0.7831 0.0256 0.0731 -0.0370 229 ASN C OD1 +10131 N ND2 . ASN C 211 ? 0.7519 0.7326 0.7135 0.0193 0.0705 -0.0341 229 ASN C ND2 +10132 N N . LEU C 212 ? 0.8489 0.8059 0.7873 0.0306 0.0685 -0.0363 230 LEU C N +10133 C CA . LEU C 212 ? 0.7395 0.6965 0.6789 0.0352 0.0674 -0.0378 230 LEU C CA +10134 C C . LEU C 212 ? 0.7332 0.7000 0.6817 0.0374 0.0697 -0.0396 230 LEU C C +10135 O O . LEU C 212 ? 0.8143 0.7831 0.7662 0.0410 0.0677 -0.0405 230 LEU C O +10136 C CB . LEU C 212 ? 0.8714 0.8203 0.8019 0.0371 0.0687 -0.0385 230 LEU C CB +10137 C CG . LEU C 212 ? 0.8485 0.7878 0.7708 0.0359 0.0651 -0.0369 230 LEU C CG +10138 C CD1 . LEU C 212 ? 0.7767 0.7081 0.6903 0.0379 0.0662 -0.0378 230 LEU C CD1 +10139 C CD2 . LEU C 212 ? 0.7204 0.6591 0.6450 0.0372 0.0602 -0.0363 230 LEU C CD2 +10140 N N . GLU C 213 ? 0.6930 0.6659 0.6456 0.0354 0.0738 -0.0401 231 GLU C N +10141 C CA . GLU C 213 ? 0.7827 0.7658 0.7448 0.0371 0.0759 -0.0418 231 GLU C CA +10142 C C . GLU C 213 ? 0.8173 0.8062 0.7871 0.0374 0.0721 -0.0415 231 GLU C C +10143 O O . GLU C 213 ? 0.8281 0.8226 0.8040 0.0409 0.0715 -0.0430 231 GLU C O +10144 C CB . GLU C 213 ? 0.7865 0.7749 0.7516 0.0341 0.0809 -0.0422 231 GLU C CB +10145 C CG . GLU C 213 ? 0.7864 0.7713 0.7457 0.0351 0.0855 -0.0433 231 GLU C CG +10146 C CD . GLU C 213 ? 0.8186 0.7927 0.7668 0.0333 0.0851 -0.0418 231 GLU C CD +10147 O OE1 . GLU C 213 ? 0.9821 0.9527 0.9278 0.0302 0.0822 -0.0398 231 GLU C OE1 +10148 O OE2 . GLU C 213 ? 0.9964 0.9656 0.9382 0.0350 0.0875 -0.0426 231 GLU C OE2 +10149 N N . ASP C 214 ? 0.8050 0.7927 0.7747 0.0338 0.0695 -0.0396 232 ASP C N +10150 C CA . ASP C 214 ? 0.8927 0.8851 0.8688 0.0340 0.0657 -0.0392 232 ASP C CA +10151 C C . ASP C 214 ? 0.7662 0.7536 0.7394 0.0376 0.0615 -0.0391 232 ASP C C +10152 O O . ASP C 214 ? 0.8032 0.7954 0.7822 0.0404 0.0594 -0.0398 232 ASP C O +10153 C CB . ASP C 214 ? 0.7341 0.7258 0.7101 0.0294 0.0641 -0.0372 232 ASP C CB +10154 C CG . ASP C 214 ? 0.8674 0.8655 0.8480 0.0258 0.0680 -0.0374 232 ASP C CG +10155 O OD1 . ASP C 214 ? 0.7273 0.7317 0.7127 0.0270 0.0716 -0.0392 232 ASP C OD1 +10156 O OD2 . ASP C 214 ? 0.7498 0.7463 0.7291 0.0218 0.0675 -0.0358 232 ASP C OD2 +10157 N N . VAL C 215 ? 0.7266 0.7042 0.6907 0.0377 0.0602 -0.0381 233 VAL C N +10158 C CA . VAL C 215 ? 0.6599 0.6321 0.6207 0.0409 0.0563 -0.0379 233 VAL C CA +10159 C C . VAL C 215 ? 0.8603 0.8353 0.8238 0.0459 0.0573 -0.0400 233 VAL C C +10160 O O . VAL C 215 ? 0.7996 0.7758 0.7659 0.0489 0.0543 -0.0403 233 VAL C O +10161 C CB . VAL C 215 ? 0.7417 0.7029 0.6922 0.0400 0.0552 -0.0368 233 VAL C CB +10162 C CG1 . VAL C 215 ? 0.7138 0.6692 0.6607 0.0434 0.0519 -0.0369 233 VAL C CG1 +10163 C CG2 . VAL C 215 ? 0.7800 0.7385 0.7281 0.0354 0.0535 -0.0346 233 VAL C CG2 +10164 N N . VAL C 216 ? 0.7643 0.7401 0.7267 0.0471 0.0615 -0.0416 234 VAL C N +10165 C CA . VAL C 216 ? 0.7220 0.7001 0.6865 0.0521 0.0626 -0.0436 234 VAL C CA +10166 C C . VAL C 216 ? 0.7542 0.7435 0.7295 0.0536 0.0628 -0.0449 234 VAL C C +10167 O O . VAL C 216 ? 0.7324 0.7237 0.7108 0.0576 0.0606 -0.0458 234 VAL C O +10168 C CB . VAL C 216 ? 0.9395 0.9153 0.8996 0.0530 0.0671 -0.0449 234 VAL C CB +10169 C CG1 . VAL C 216 ? 0.7689 0.7484 0.7323 0.0583 0.0686 -0.0473 234 VAL C CG1 +10170 C CG2 . VAL C 216 ? 0.6851 0.6494 0.6342 0.0522 0.0662 -0.0439 234 VAL C CG2 +10171 N N . GLY C 217 ? 0.7019 0.6986 0.6831 0.0503 0.0654 -0.0449 235 GLY C N +10172 C CA . GLY C 217 ? 0.7588 0.7666 0.7506 0.0514 0.0655 -0.0462 235 GLY C CA +10173 C C . GLY C 217 ? 0.8591 0.8685 0.8546 0.0520 0.0605 -0.0453 235 GLY C C +10174 O O . GLY C 217 ? 0.8363 0.8527 0.8390 0.0550 0.0594 -0.0467 235 GLY C O +10175 N N . GLY C 218 ? 0.7971 0.8003 0.7879 0.0492 0.0574 -0.0431 236 GLY C N +10176 C CA . GLY C 218 ? 0.8123 0.8157 0.8054 0.0499 0.0526 -0.0422 236 GLY C CA +10177 C C . GLY C 218 ? 0.7922 0.7917 0.7829 0.0550 0.0499 -0.0428 236 GLY C C +10178 O O . GLY C 218 ? 0.8250 0.8280 0.8202 0.0572 0.0468 -0.0430 236 GLY C O +10179 N N . HIS C 219 ? 0.7104 0.7026 0.6939 0.0569 0.0511 -0.0432 237 HIS C N +10180 C CA . HIS C 219 ? 0.8516 0.8394 0.8323 0.0618 0.0487 -0.0438 237 HIS C CA +10181 C C . HIS C 219 ? 0.8083 0.8034 0.7952 0.0664 0.0504 -0.0463 237 HIS C C +10182 O O . HIS C 219 ? 0.8474 0.8421 0.8352 0.0706 0.0478 -0.0469 237 HIS C O +10183 C CB . HIS C 219 ? 0.6990 0.6755 0.6692 0.0621 0.0489 -0.0433 237 HIS C CB +10184 C CG . HIS C 219 ? 0.9348 0.9036 0.8991 0.0590 0.0456 -0.0410 237 HIS C CG +10185 N ND1 . HIS C 219 ? 0.7080 0.6745 0.6693 0.0541 0.0465 -0.0395 237 HIS C ND1 +10186 C CD2 . HIS C 219 ? 0.7848 0.7478 0.7458 0.0600 0.0414 -0.0399 237 HIS C CD2 +10187 C CE1 . HIS C 219 ? 0.7851 0.7450 0.7417 0.0525 0.0431 -0.0377 237 HIS C CE1 +10188 N NE2 . HIS C 219 ? 0.7163 0.6740 0.6727 0.0558 0.0400 -0.0379 237 HIS C NE2 +10189 N N . ILE C 220 ? 0.7619 0.7639 0.7534 0.0657 0.0548 -0.0477 238 ILE C N +10190 C CA . ILE C 220 ? 0.7557 0.7665 0.7547 0.0697 0.0565 -0.0501 238 ILE C CA +10191 C C . ILE C 220 ? 0.7547 0.7737 0.7624 0.0703 0.0535 -0.0502 238 ILE C C +10192 O O . ILE C 220 ? 0.8012 0.8228 0.8121 0.0750 0.0515 -0.0514 238 ILE C O +10193 C CB . ILE C 220 ? 0.8750 0.8917 0.8772 0.0682 0.0620 -0.0515 238 ILE C CB +10194 C CG1 . ILE C 220 ? 0.7729 0.7819 0.7667 0.0693 0.0650 -0.0519 238 ILE C CG1 +10195 C CG2 . ILE C 220 ? 0.7407 0.7692 0.7533 0.0712 0.0635 -0.0538 238 ILE C CG2 +10196 C CD1 . ILE C 220 ? 0.7935 0.8056 0.7877 0.0661 0.0705 -0.0525 238 ILE C CD1 +10197 N N . TRP C 221 ? 0.8097 0.8326 0.8210 0.0656 0.0531 -0.0490 239 TRP C N +10198 C CA . TRP C 221 ? 0.7374 0.7675 0.7565 0.0657 0.0500 -0.0490 239 TRP C CA +10199 C C . TRP C 221 ? 0.7571 0.7815 0.7728 0.0683 0.0449 -0.0479 239 TRP C C +10200 O O . TRP C 221 ? 0.9078 0.9373 0.9289 0.0717 0.0424 -0.0488 239 TRP C O +10201 C CB . TRP C 221 ? 0.7268 0.7600 0.7485 0.0599 0.0504 -0.0477 239 TRP C CB +10202 C CG . TRP C 221 ? 0.8411 0.8844 0.8707 0.0579 0.0544 -0.0492 239 TRP C CG +10203 C CD1 . TRP C 221 ? 0.7969 0.8403 0.8250 0.0546 0.0590 -0.0493 239 TRP C CD1 +10204 C CD2 . TRP C 221 ? 0.8245 0.8793 0.8647 0.0591 0.0543 -0.0509 239 TRP C CD2 +10205 N NE1 . TRP C 221 ? 0.7785 0.8327 0.8157 0.0535 0.0618 -0.0509 239 TRP C NE1 +10206 C CE2 . TRP C 221 ? 0.8606 0.9222 0.9056 0.0562 0.0590 -0.0520 239 TRP C CE2 +10207 C CE3 . TRP C 221 ? 0.8960 0.9561 0.9421 0.0623 0.0506 -0.0517 239 TRP C CE3 +10208 C CZ2 . TRP C 221 ? 0.9275 1.0012 0.9833 0.0562 0.0602 -0.0539 239 TRP C CZ2 +10209 C CZ3 . TRP C 221 ? 1.1815 1.2537 1.2383 0.0626 0.0515 -0.0536 239 TRP C CZ3 +10210 C CH2 . TRP C 221 ? 1.0655 1.1445 1.1272 0.0594 0.0563 -0.0547 239 TRP C CH2 +10211 N N . ILE C 222 ? 0.8811 0.8949 0.8878 0.0668 0.0432 -0.0460 240 ILE C N +10212 C CA . ILE C 222 ? 0.8140 0.8216 0.8169 0.0690 0.0385 -0.0448 240 ILE C CA +10213 C C . ILE C 222 ? 0.8831 0.8887 0.8847 0.0751 0.0378 -0.0463 240 ILE C C +10214 O O . ILE C 222 ? 0.8513 0.8569 0.8541 0.0783 0.0343 -0.0463 240 ILE C O +10215 C CB . ILE C 222 ? 0.8994 0.8963 0.8932 0.0657 0.0371 -0.0425 240 ILE C CB +10216 C CG1 . ILE C 222 ? 1.0072 1.0060 1.0031 0.0609 0.0356 -0.0408 240 ILE C CG1 +10217 C CG2 . ILE C 222 ? 1.1205 1.1087 1.1080 0.0688 0.0336 -0.0418 240 ILE C CG2 +10218 C CD1 . ILE C 222 ? 0.9693 0.9719 0.9700 0.0622 0.0316 -0.0404 240 ILE C CD1 +10219 N N . GLY C 223 ? 0.8256 0.8292 0.8242 0.0769 0.0412 -0.0476 241 GLY C N +10220 C CA . GLY C 223 ? 0.7935 0.7950 0.7906 0.0828 0.0408 -0.0491 241 GLY C CA +10221 C C . GLY C 223 ? 0.7561 0.7677 0.7625 0.0867 0.0401 -0.0510 241 GLY C C +10222 O O . GLY C 223 ? 0.8880 0.8980 0.8942 0.0909 0.0368 -0.0512 241 GLY C O +10223 N N . LEU C 224 ? 0.8017 0.8239 0.8163 0.0852 0.0430 -0.0523 242 LEU C N +10224 C CA . LEU C 224 ? 0.7707 0.8036 0.7949 0.0887 0.0426 -0.0543 242 LEU C CA +10225 C C . LEU C 224 ? 0.7708 0.8058 0.7984 0.0888 0.0378 -0.0533 242 LEU C C +10226 O O . LEU C 224 ? 0.9555 0.9926 0.9857 0.0936 0.0351 -0.0542 242 LEU C O +10227 C CB . LEU C 224 ? 0.8883 0.9319 0.9207 0.0862 0.0469 -0.0557 242 LEU C CB +10228 C CG . LEU C 224 ? 1.0054 1.0479 1.0350 0.0858 0.0521 -0.0568 242 LEU C CG +10229 C CD1 . LEU C 224 ? 1.2916 1.3453 1.3299 0.0832 0.0562 -0.0583 242 LEU C CD1 +10230 C CD2 . LEU C 224 ? 0.8803 0.9202 0.9075 0.0921 0.0527 -0.0586 242 LEU C CD2 +10231 N N . ILE C 225 ? 0.8483 0.8825 0.8754 0.0835 0.0367 -0.0513 243 ILE C N +10232 C CA . ILE C 225 ? 0.8031 0.8392 0.8331 0.0830 0.0323 -0.0503 243 ILE C CA +10233 C C . ILE C 225 ? 0.8187 0.8466 0.8429 0.0871 0.0282 -0.0494 243 ILE C C +10234 O O . ILE C 225 ? 0.8335 0.8650 0.8615 0.0904 0.0250 -0.0499 243 ILE C O +10235 C CB . ILE C 225 ? 0.7915 0.8257 0.8200 0.0767 0.0320 -0.0481 243 ILE C CB +10236 C CG1 . ILE C 225 ? 0.8946 0.9390 0.9311 0.0731 0.0352 -0.0491 243 ILE C CG1 +10237 C CG2 . ILE C 225 ? 0.7978 0.8297 0.8256 0.0763 0.0271 -0.0465 243 ILE C CG2 +10238 C CD1 . ILE C 225 ? 0.8876 0.9296 0.9218 0.0667 0.0358 -0.0472 243 ILE C CD1 +10239 N N . CYS C 226 ? 0.7125 0.7291 0.7270 0.0870 0.0282 -0.0482 244 CYS C N +10240 C CA . CYS C 226 ? 0.8543 0.8622 0.8624 0.0905 0.0246 -0.0473 244 CYS C CA +10241 C C . CYS C 226 ? 0.8810 0.8911 0.8912 0.0972 0.0243 -0.0494 244 CYS C C +10242 O O . CYS C 226 ? 0.9240 0.9323 0.9336 0.1008 0.0207 -0.0492 244 CYS C O +10243 C CB . CYS C 226 ? 0.8311 0.8268 0.8287 0.0887 0.0250 -0.0458 244 CYS C CB +10244 S SG . CYS C 226 ? 0.8121 0.8025 0.8055 0.0822 0.0235 -0.0430 244 CYS C SG +10245 N N . ILE C 227 ? 0.8908 0.9045 0.9029 0.0990 0.0282 -0.0514 245 ILE C N +10246 C CA . ILE C 227 ? 0.9342 0.9503 0.9485 0.1055 0.0281 -0.0535 245 ILE C CA +10247 C C . ILE C 227 ? 0.9188 0.9463 0.9432 0.1078 0.0263 -0.0548 245 ILE C C +10248 O O . ILE C 227 ? 0.8375 0.8647 0.8623 0.1129 0.0233 -0.0554 245 ILE C O +10249 C CB . ILE C 227 ? 0.8499 0.8674 0.8639 0.1066 0.0330 -0.0554 245 ILE C CB +10250 C CG1 . ILE C 227 ? 0.8684 0.8733 0.8714 0.1057 0.0340 -0.0543 245 ILE C CG1 +10251 C CG2 . ILE C 227 ? 0.9323 0.9552 0.9509 0.1132 0.0334 -0.0580 245 ILE C CG2 +10252 C CD1 . ILE C 227 ? 0.9505 0.9558 0.9522 0.1053 0.0390 -0.0557 245 ILE C CD1 +10253 N N . ALA C 228 ? 0.7770 0.8145 0.8094 0.1041 0.0280 -0.0553 246 ALA C N +10254 C CA . ALA C 228 ? 0.7732 0.8219 0.8155 0.1057 0.0262 -0.0566 246 ALA C CA +10255 C C . ALA C 228 ? 0.8848 0.9302 0.9255 0.1064 0.0209 -0.0550 246 ALA C C +10256 O O . ALA C 228 ? 0.9577 1.0061 1.0014 0.1114 0.0180 -0.0560 246 ALA C O +10257 C CB . ALA C 228 ? 0.8098 0.8682 0.8598 0.1005 0.0289 -0.0570 246 ALA C CB +10258 N N . GLY C 229 ? 0.8709 0.9102 0.9068 0.1015 0.0195 -0.0525 247 GLY C N +10259 C CA . GLY C 229 ? 0.7452 0.7810 0.7791 0.1019 0.0147 -0.0509 247 GLY C CA +10260 C C . GLY C 229 ? 0.8109 0.8376 0.8378 0.1070 0.0119 -0.0504 247 GLY C C +10261 O O . GLY C 229 ? 0.8210 0.8476 0.8484 0.1097 0.0079 -0.0501 247 GLY C O +10262 N N . GLY C 230 ? 0.7999 0.8185 0.8197 0.1084 0.0139 -0.0505 248 GLY C N +10263 C CA . GLY C 230 ? 0.7624 0.7724 0.7756 0.1137 0.0116 -0.0504 248 GLY C CA +10264 C C . GLY C 230 ? 1.0356 1.0524 1.0545 0.1202 0.0106 -0.0527 248 GLY C C +10265 O O . GLY C 230 ? 0.8935 0.9063 0.9098 0.1245 0.0070 -0.0524 248 GLY C O +10266 N N . ILE C 231 ? 0.8414 0.8684 0.8681 0.1212 0.0138 -0.0550 249 ILE C N +10267 C CA . ILE C 231 ? 0.8905 0.9256 0.9240 0.1273 0.0129 -0.0574 249 ILE C CA +10268 C C . ILE C 231 ? 0.8587 0.9011 0.8988 0.1275 0.0092 -0.0573 249 ILE C C +10269 O O . ILE C 231 ? 0.9333 0.9759 0.9740 0.1328 0.0057 -0.0579 249 ILE C O +10270 C CB . ILE C 231 ? 0.9707 1.0154 1.0113 0.1278 0.0176 -0.0600 249 ILE C CB +10271 C CG1 . ILE C 231 ? 0.9414 0.9782 0.9747 0.1289 0.0210 -0.0604 249 ILE C CG1 +10272 C CG2 . ILE C 231 ? 0.8110 0.8666 0.8607 0.1333 0.0165 -0.0626 249 ILE C CG2 +10273 C CD1 . ILE C 231 ? 0.8758 0.9205 0.9146 0.1270 0.0263 -0.0622 249 ILE C CD1 +10274 N N . TRP C 232 ? 0.7907 0.8390 0.8356 0.1218 0.0097 -0.0567 250 TRP C N +10275 C CA . TRP C 232 ? 0.7398 0.7942 0.7902 0.1212 0.0060 -0.0563 250 TRP C CA +10276 C C . TRP C 232 ? 0.8393 0.8845 0.8827 0.1236 0.0012 -0.0544 250 TRP C C +10277 O O . TRP C 232 ? 0.8646 0.9138 0.9116 0.1273 -0.0023 -0.0551 250 TRP C O +10278 C CB . TRP C 232 ? 0.7295 0.7876 0.7829 0.1140 0.0074 -0.0552 250 TRP C CB +10279 C CG . TRP C 232 ? 0.8542 0.9148 0.9101 0.1121 0.0035 -0.0541 250 TRP C CG +10280 C CD1 . TRP C 232 ? 0.8369 0.8887 0.8860 0.1095 0.0008 -0.0514 250 TRP C CD1 +10281 C CD2 . TRP C 232 ? 0.9157 0.9883 0.9817 0.1124 0.0019 -0.0556 250 TRP C CD2 +10282 N NE1 . TRP C 232 ? 0.9375 0.9949 0.9914 0.1084 -0.0023 -0.0511 250 TRP C NE1 +10283 C CE2 . TRP C 232 ? 0.9763 1.0464 1.0406 0.1101 -0.0018 -0.0537 250 TRP C CE2 +10284 C CE3 . TRP C 232 ? 0.8902 0.9757 0.9667 0.1145 0.0033 -0.0584 250 TRP C CE3 +10285 C CZ2 . TRP C 232 ? 0.9478 1.0274 1.0201 0.1098 -0.0043 -0.0546 250 TRP C CZ2 +10286 C CZ3 . TRP C 232 ? 0.8749 0.9700 0.9596 0.1140 0.0008 -0.0593 250 TRP C CZ3 +10287 C CH2 . TRP C 232 ? 0.8666 0.9586 0.9490 0.1117 -0.0030 -0.0574 250 TRP C CH2 +10288 N N . HIS C 233 ? 0.7676 0.8004 0.8010 0.1213 0.0010 -0.0521 251 HIS C N +10289 C CA . HIS C 233 ? 0.8077 0.8318 0.8345 0.1228 -0.0034 -0.0501 251 HIS C CA +10290 C C . HIS C 233 ? 0.8077 0.8256 0.8296 0.1296 -0.0051 -0.0507 251 HIS C C +10291 O O . HIS C 233 ? 0.8791 0.8915 0.8969 0.1321 -0.0090 -0.0495 251 HIS C O +10292 C CB . HIS C 233 ? 0.8542 0.8678 0.8726 0.1174 -0.0032 -0.0474 251 HIS C CB +10293 C CG . HIS C 233 ? 0.8336 0.8514 0.8554 0.1116 -0.0038 -0.0461 251 HIS C CG +10294 N ND1 . HIS C 233 ? 0.8578 0.8790 0.8826 0.1119 -0.0075 -0.0455 251 HIS C ND1 +10295 C CD2 . HIS C 233 ? 0.7762 0.7952 0.7987 0.1055 -0.0011 -0.0453 251 HIS C CD2 +10296 C CE1 . HIS C 233 ? 0.8214 0.8456 0.8486 0.1061 -0.0071 -0.0444 251 HIS C CE1 +10297 N NE2 . HIS C 233 ? 0.8666 0.8895 0.8925 0.1022 -0.0033 -0.0443 251 HIS C NE2 +10298 N N . ILE C 234 ? 0.9381 0.9566 0.9602 0.1329 -0.0023 -0.0526 252 ILE C N +10299 C CA . ILE C 234 ? 0.8392 0.8536 0.8581 0.1401 -0.0040 -0.0536 252 ILE C CA +10300 C C . ILE C 234 ? 0.8779 0.9029 0.9055 0.1448 -0.0064 -0.0555 252 ILE C C +10301 O O . ILE C 234 ? 0.7975 0.8190 0.8224 0.1496 -0.0102 -0.0552 252 ILE C O +10302 C CB . ILE C 234 ? 0.9511 0.9628 0.9674 0.1422 -0.0001 -0.0550 252 ILE C CB +10303 C CG1 . ILE C 234 ? 0.8526 0.8503 0.8576 0.1394 0.0008 -0.0530 252 ILE C CG1 +10304 C CG2 . ILE C 234 ? 0.8997 0.9123 0.9168 0.1502 -0.0013 -0.0570 252 ILE C CG2 +10305 C CD1 . ILE C 234 ? 0.7957 0.7921 0.7990 0.1386 0.0054 -0.0541 252 ILE C CD1 +10306 N N . LEU C 235 ? 0.8659 0.9042 0.9040 0.1433 -0.0044 -0.0574 253 LEU C N +10307 C CA . LEU C 235 ? 0.8784 0.9283 0.9259 0.1479 -0.0062 -0.0597 253 LEU C CA +10308 C C . LEU C 235 ? 1.0051 1.0597 1.0566 0.1464 -0.0102 -0.0589 253 LEU C C +10309 O O . LEU C 235 ? 1.0485 1.1112 1.1066 0.1508 -0.0127 -0.0606 253 LEU C O +10310 C CB . LEU C 235 ? 0.8810 0.9436 0.9385 0.1469 -0.0021 -0.0623 253 LEU C CB +10311 C CG . LEU C 235 ? 0.8974 0.9571 0.9521 0.1481 0.0024 -0.0634 253 LEU C CG +10312 C CD1 . LEU C 235 ? 0.9800 1.0534 1.0455 0.1483 0.0061 -0.0663 253 LEU C CD1 +10313 C CD2 . LEU C 235 ? 0.8988 0.9498 0.9465 0.1550 0.0009 -0.0637 253 LEU C CD2 +10314 N N . THR C 236 ? 0.9865 1.0365 1.0344 0.1406 -0.0109 -0.0564 254 THR C N +10315 C CA . THR C 236 ? 0.7200 0.7747 0.7718 0.1387 -0.0144 -0.0557 254 THR C CA +10316 C C . THR C 236 ? 0.8402 0.8828 0.8824 0.1386 -0.0181 -0.0529 254 THR C C +10317 O O . THR C 236 ? 0.8128 0.8435 0.8455 0.1393 -0.0178 -0.0514 254 THR C O +10318 C CB . THR C 236 ? 0.7788 0.8403 0.8363 0.1316 -0.0122 -0.0555 254 THR C CB +10319 O OG1 . THR C 236 ? 0.9078 0.9597 0.9575 0.1264 -0.0101 -0.0532 254 THR C OG1 +10320 C CG2 . THR C 236 ? 0.8025 0.8765 0.8699 0.1314 -0.0085 -0.0583 254 THR C CG2 +10321 N N . THR C 237 ? 0.8895 0.9357 0.9345 0.1375 -0.0215 -0.0523 255 THR C N +10322 C CA . THR C 237 ? 0.8824 0.9189 0.9196 0.1366 -0.0250 -0.0496 255 THR C CA +10323 C C . THR C 237 ? 0.7629 0.8043 0.8040 0.1306 -0.0256 -0.0486 255 THR C C +10324 O O . THR C 237 ? 0.8558 0.9092 0.9066 0.1291 -0.0247 -0.0504 255 THR C O +10325 C CB . THR C 237 ? 0.9039 0.9389 0.9396 0.1434 -0.0295 -0.0500 255 THR C CB +10326 O OG1 . THR C 237 ? 1.1592 1.1808 1.1841 0.1437 -0.0318 -0.0473 255 THR C OG1 +10327 C CG2 . THR C 237 ? 0.7851 0.8310 0.8293 0.1439 -0.0325 -0.0511 255 THR C CG2 +10328 N N . PRO C 238 ? 0.8614 0.8937 0.8952 0.1268 -0.0267 -0.0458 256 PRO C N +10329 C CA . PRO C 238 ? 0.7604 0.7967 0.7974 0.1206 -0.0268 -0.0448 256 PRO C CA +10330 C C . PRO C 238 ? 0.8513 0.8982 0.8966 0.1218 -0.0297 -0.0462 256 PRO C C +10331 O O . PRO C 238 ? 0.8780 0.9247 0.9228 0.1268 -0.0335 -0.0465 256 PRO C O +10332 C CB . PRO C 238 ? 0.7506 0.7743 0.7774 0.1184 -0.0285 -0.0417 256 PRO C CB +10333 C CG . PRO C 238 ? 0.8256 0.8390 0.8444 0.1208 -0.0271 -0.0411 256 PRO C CG +10334 C CD . PRO C 238 ? 0.7844 0.8024 0.8068 0.1274 -0.0273 -0.0436 256 PRO C CD +10335 N N . PHE C 239 ? 0.9043 0.9605 0.9573 0.1171 -0.0280 -0.0470 257 PHE C N +10336 C CA . PHE C 239 ? 0.9142 0.9811 0.9756 0.1172 -0.0305 -0.0484 257 PHE C CA +10337 C C . PHE C 239 ? 0.8981 0.9603 0.9553 0.1156 -0.0343 -0.0463 257 PHE C C +10338 O O . PHE C 239 ? 0.8683 0.9200 0.9170 0.1130 -0.0344 -0.0437 257 PHE C O +10339 C CB . PHE C 239 ? 0.8547 0.9319 0.9248 0.1121 -0.0272 -0.0497 257 PHE C CB +10340 C CG . PHE C 239 ? 0.9830 1.0658 1.0579 0.1135 -0.0233 -0.0519 257 PHE C CG +10341 C CD1 . PHE C 239 ? 1.0303 1.1183 1.1093 0.1199 -0.0242 -0.0542 257 PHE C CD1 +10342 C CD2 . PHE C 239 ? 0.9164 0.9990 0.9914 0.1086 -0.0187 -0.0516 257 PHE C CD2 +10343 C CE1 . PHE C 239 ? 1.1090 1.2021 1.1923 0.1213 -0.0204 -0.0563 257 PHE C CE1 +10344 C CE2 . PHE C 239 ? 1.1241 1.2116 1.2032 0.1100 -0.0149 -0.0536 257 PHE C CE2 +10345 C CZ . PHE C 239 ? 1.0003 1.0931 1.0836 0.1163 -0.0157 -0.0560 257 PHE C CZ +10346 N N . GLY C 240 ? 0.9142 0.9847 0.9778 0.1171 -0.0375 -0.0475 258 GLY C N +10347 C CA . GLY C 240 ? 0.8714 0.9379 0.9312 0.1167 -0.0416 -0.0458 258 GLY C CA +10348 C C . GLY C 240 ? 0.8540 0.9164 0.9106 0.1098 -0.0405 -0.0436 258 GLY C C +10349 O O . GLY C 240 ? 0.8166 0.8697 0.8653 0.1091 -0.0425 -0.0412 258 GLY C O +10350 N N . TRP C 241 ? 0.8285 0.8977 0.8911 0.1047 -0.0373 -0.0444 259 TRP C N +10351 C CA . TRP C 241 ? 0.7826 0.8479 0.8421 0.0982 -0.0360 -0.0423 259 TRP C CA +10352 C C . TRP C 241 ? 0.9940 1.0468 1.0436 0.0968 -0.0341 -0.0399 259 TRP C C +10353 O O . TRP C 241 ? 0.9090 0.9543 0.9523 0.0938 -0.0351 -0.0375 259 TRP C O +10354 C CB . TRP C 241 ? 0.8217 0.8963 0.8893 0.0932 -0.0327 -0.0437 259 TRP C CB +10355 C CG . TRP C 241 ? 0.9616 1.0385 1.0315 0.0929 -0.0281 -0.0449 259 TRP C CG +10356 C CD1 . TRP C 241 ? 0.9205 1.0069 0.9984 0.0957 -0.0267 -0.0477 259 TRP C CD1 +10357 C CD2 . TRP C 241 ? 1.0655 1.1354 1.1300 0.0896 -0.0244 -0.0435 259 TRP C CD2 +10358 N NE1 . TRP C 241 ? 0.9110 0.9965 0.9884 0.0943 -0.0222 -0.0480 259 TRP C NE1 +10359 C CE2 . TRP C 241 ? 0.8885 0.9638 0.9576 0.0906 -0.0208 -0.0455 259 TRP C CE2 +10360 C CE3 . TRP C 241 ? 0.8321 0.8917 0.8882 0.0859 -0.0238 -0.0408 259 TRP C CE3 +10361 C CZ2 . TRP C 241 ? 0.8305 0.9009 0.8958 0.0881 -0.0167 -0.0448 259 TRP C CZ2 +10362 C CZ3 . TRP C 241 ? 0.8538 0.9088 0.9064 0.0835 -0.0199 -0.0402 259 TRP C CZ3 +10363 C CH2 . TRP C 241 ? 0.8466 0.9069 0.9035 0.0846 -0.0164 -0.0422 259 TRP C CH2 +10364 N N . ALA C 242 ? 0.8925 0.9428 0.9403 0.0991 -0.0316 -0.0405 260 ALA C N +10365 C CA . ALA C 242 ? 0.8154 0.8536 0.8536 0.0981 -0.0302 -0.0384 260 ALA C CA +10366 C C . ALA C 242 ? 0.8608 0.8894 0.8909 0.1015 -0.0337 -0.0367 260 ALA C C +10367 O O . ALA C 242 ? 0.8554 0.8743 0.8777 0.0990 -0.0338 -0.0343 260 ALA C O +10368 C CB . ALA C 242 ? 0.8595 0.8972 0.8976 0.0999 -0.0267 -0.0396 260 ALA C CB +10369 N N . ARG C 243 ? 0.8357 0.8668 0.8675 0.1074 -0.0367 -0.0379 261 ARG C N +10370 C CA . ARG C 243 ? 0.8050 0.8264 0.8286 0.1111 -0.0400 -0.0363 261 ARG C CA +10371 C C . ARG C 243 ? 0.8244 0.8417 0.8442 0.1077 -0.0423 -0.0341 261 ARG C C +10372 O O . ARG C 243 ? 0.8831 0.8894 0.8939 0.1075 -0.0432 -0.0318 261 ARG C O +10373 C CB . ARG C 243 ? 1.0510 1.0769 1.0778 0.1180 -0.0430 -0.0382 261 ARG C CB +10374 C CG . ARG C 243 ? 0.9885 1.0151 1.0162 0.1224 -0.0410 -0.0400 261 ARG C CG +10375 C CD . ARG C 243 ? 1.2623 1.2904 1.2907 0.1298 -0.0443 -0.0414 261 ARG C CD +10376 N NE . ARG C 243 ? 1.3332 1.3751 1.3725 0.1316 -0.0454 -0.0441 261 ARG C NE +10377 C CZ . ARG C 243 ? 1.6131 1.6598 1.6556 0.1330 -0.0492 -0.0444 261 ARG C CZ +10378 N NH1 . ARG C 243 ? 1.6107 1.6496 1.6462 0.1330 -0.0524 -0.0422 261 ARG C NH1 +10379 N NH2 . ARG C 243 ? 1.4866 1.5464 1.5395 0.1345 -0.0499 -0.0471 261 ARG C NH2 +10380 N N . ARG C 244 ? 0.8281 0.8539 0.8545 0.1049 -0.0431 -0.0348 262 ARG C N +10381 C CA . ARG C 244 ? 0.8887 0.9116 0.9122 0.1020 -0.0455 -0.0329 262 ARG C CA +10382 C C . ARG C 244 ? 0.9824 0.9998 1.0018 0.0956 -0.0430 -0.0308 262 ARG C C +10383 O O . ARG C 244 ? 0.9545 0.9665 0.9692 0.0935 -0.0447 -0.0288 262 ARG C O +10384 C CB . ARG C 244 ? 1.0695 1.1036 1.1016 0.1015 -0.0475 -0.0346 262 ARG C CB +10385 C CG . ARG C 244 ? 0.9330 0.9725 0.9688 0.1079 -0.0508 -0.0365 262 ARG C CG +10386 C CD . ARG C 244 ? 1.4163 1.4667 1.4605 0.1070 -0.0531 -0.0381 262 ARG C CD +10387 N NE . ARG C 244 ? 1.5312 1.5924 1.5849 0.1037 -0.0501 -0.0402 262 ARG C NE +10388 C CZ . ARG C 244 ? 1.4160 1.4866 1.4776 0.1067 -0.0494 -0.0429 262 ARG C CZ +10389 N NH1 . ARG C 244 ? 1.3084 1.3790 1.3696 0.1132 -0.0514 -0.0440 262 ARG C NH1 +10390 N NH2 . ARG C 244 ? 1.2129 1.2929 1.2828 0.1030 -0.0465 -0.0446 262 ARG C NH2 +10391 N N . ALA C 245 ? 0.8584 0.8770 0.8795 0.0927 -0.0390 -0.0312 263 ALA C N +10392 C CA . ALA C 245 ? 0.8925 0.9067 0.9103 0.0867 -0.0367 -0.0294 263 ALA C CA +10393 C C . ALA C 245 ? 0.8643 0.8662 0.8724 0.0864 -0.0358 -0.0273 263 ALA C C +10394 O O . ALA C 245 ? 0.7914 0.7882 0.7955 0.0819 -0.0349 -0.0254 263 ALA C O +10395 C CB . ALA C 245 ? 0.8892 0.9106 0.9133 0.0831 -0.0329 -0.0308 263 ALA C CB +10396 N N . PHE C 246 ? 0.7790 0.7761 0.7835 0.0910 -0.0360 -0.0277 264 PHE C N +10397 C CA . PHE C 246 ? 0.7772 0.7633 0.7731 0.0905 -0.0346 -0.0261 264 PHE C CA +10398 C C . PHE C 246 ? 0.7388 0.7155 0.7270 0.0939 -0.0376 -0.0246 264 PHE C C +10399 O O . PHE C 246 ? 0.8538 0.8325 0.8431 0.0980 -0.0406 -0.0252 264 PHE C O +10400 C CB . PHE C 246 ? 0.8221 0.8085 0.8187 0.0925 -0.0318 -0.0276 264 PHE C CB +10401 C CG . PHE C 246 ? 0.8488 0.8415 0.8507 0.0885 -0.0282 -0.0286 264 PHE C CG +10402 C CD1 . PHE C 246 ? 0.9105 0.8984 0.9087 0.0834 -0.0259 -0.0271 264 PHE C CD1 +10403 C CD2 . PHE C 246 ? 0.8883 0.8920 0.8990 0.0897 -0.0271 -0.0310 264 PHE C CD2 +10404 C CE1 . PHE C 246 ? 0.9310 0.9244 0.9336 0.0797 -0.0225 -0.0280 264 PHE C CE1 +10405 C CE2 . PHE C 246 ? 0.8995 0.9089 0.9149 0.0859 -0.0235 -0.0319 264 PHE C CE2 +10406 C CZ . PHE C 246 ? 0.9270 0.9310 0.9382 0.0809 -0.0213 -0.0303 264 PHE C CZ +10407 N N . ILE C 247 ? 0.8230 0.7893 0.8031 0.0920 -0.0367 -0.0227 265 ILE C N +10408 C CA . ILE C 247 ? 0.7705 0.7263 0.7423 0.0953 -0.0386 -0.0213 265 ILE C CA +10409 C C . ILE C 247 ? 0.7959 0.7484 0.7655 0.0990 -0.0371 -0.0225 265 ILE C C +10410 O O . ILE C 247 ? 0.8323 0.7852 0.8027 0.0969 -0.0340 -0.0231 265 ILE C O +10411 C CB . ILE C 247 ? 0.7716 0.7181 0.7361 0.0910 -0.0384 -0.0187 265 ILE C CB +10412 C CG1 . ILE C 247 ? 0.9194 0.8701 0.8867 0.0870 -0.0394 -0.0177 265 ILE C CG1 +10413 C CG2 . ILE C 247 ? 0.6744 0.6100 0.6301 0.0942 -0.0404 -0.0172 265 ILE C CG2 +10414 C CD1 . ILE C 247 ? 0.9298 0.8830 0.8982 0.0902 -0.0431 -0.0178 265 ILE C CD1 +10415 N N . TRP C 248 ? 0.7756 0.7246 0.7423 0.1047 -0.0394 -0.0228 266 TRP C N +10416 C CA . TRP C 248 ? 0.8266 0.7730 0.7917 0.1090 -0.0383 -0.0241 266 TRP C CA +10417 C C . TRP C 248 ? 0.8115 0.7445 0.7661 0.1106 -0.0392 -0.0224 266 TRP C C +10418 O O . TRP C 248 ? 0.8781 0.8070 0.8292 0.1149 -0.0421 -0.0219 266 TRP C O +10419 C CB . TRP C 248 ? 0.7222 0.6767 0.6933 0.1148 -0.0400 -0.0264 266 TRP C CB +10420 C CG . TRP C 248 ? 0.7475 0.7153 0.7291 0.1128 -0.0391 -0.0281 266 TRP C CG +10421 C CD1 . TRP C 248 ? 0.7758 0.7503 0.7621 0.1108 -0.0410 -0.0280 266 TRP C CD1 +10422 C CD2 . TRP C 248 ? 0.7549 0.7308 0.7432 0.1125 -0.0361 -0.0303 266 TRP C CD2 +10423 N NE1 . TRP C 248 ? 0.8357 0.8218 0.8314 0.1092 -0.0393 -0.0300 266 TRP C NE1 +10424 C CE2 . TRP C 248 ? 0.7011 0.6884 0.6983 0.1101 -0.0362 -0.0314 266 TRP C CE2 +10425 C CE3 . TRP C 248 ? 0.6845 0.6590 0.6721 0.1139 -0.0332 -0.0315 266 TRP C CE3 +10426 C CZ2 . TRP C 248 ? 0.8697 0.8670 0.8750 0.1091 -0.0335 -0.0335 266 TRP C CZ2 +10427 C CZ3 . TRP C 248 ? 0.8628 0.8472 0.8584 0.1130 -0.0305 -0.0336 266 TRP C CZ3 +10428 C CH2 . TRP C 248 ? 0.7470 0.7427 0.7514 0.1105 -0.0305 -0.0345 266 TRP C CH2 +10429 N N . SER C 249 ? 0.8144 0.7404 0.7641 0.1071 -0.0368 -0.0213 267 SER C N +10430 C CA . SER C 249 ? 0.7631 0.6760 0.7028 0.1074 -0.0373 -0.0196 267 SER C CA +10431 C C . SER C 249 ? 0.8578 0.7662 0.7946 0.1041 -0.0340 -0.0195 267 SER C C +10432 O O . SER C 249 ? 0.8097 0.7244 0.7515 0.1004 -0.0317 -0.0202 267 SER C O +10433 C CB . SER C 249 ? 0.7394 0.6470 0.6747 0.1045 -0.0391 -0.0171 267 SER C CB +10434 O OG . SER C 249 ? 0.8068 0.7161 0.7435 0.0982 -0.0373 -0.0162 267 SER C OG +10435 N N . GLY C 250 ? 0.8169 0.7140 0.7454 0.1055 -0.0340 -0.0187 268 GLY C N +10436 C CA . GLY C 250 ? 0.8315 0.7234 0.7565 0.1026 -0.0312 -0.0186 268 GLY C CA +10437 C C . GLY C 250 ? 0.8586 0.7511 0.7841 0.0958 -0.0298 -0.0173 268 GLY C C +10438 O O . GLY C 250 ? 0.7590 0.6555 0.6876 0.0928 -0.0273 -0.0181 268 GLY C O +10439 N N . GLU C 251 ? 0.7715 0.6601 0.6938 0.0934 -0.0315 -0.0152 269 GLU C N +10440 C CA . GLU C 251 ? 0.8283 0.7170 0.7508 0.0871 -0.0304 -0.0139 269 GLU C CA +10441 C C . GLU C 251 ? 0.7723 0.6729 0.7036 0.0847 -0.0294 -0.0148 269 GLU C C +10442 O O . GLU C 251 ? 0.7480 0.6506 0.6809 0.0803 -0.0272 -0.0148 269 GLU C O +10443 C CB . GLU C 251 ? 0.7210 0.6037 0.6387 0.0853 -0.0324 -0.0115 269 GLU C CB +10444 C CG . GLU C 251 ? 0.8376 0.7197 0.7549 0.0789 -0.0312 -0.0101 269 GLU C CG +10445 C CD . GLU C 251 ? 0.8233 0.6976 0.7345 0.0769 -0.0326 -0.0078 269 GLU C CD +10446 O OE1 . GLU C 251 ? 0.7788 0.6505 0.6877 0.0800 -0.0349 -0.0071 269 GLU C OE1 +10447 O OE2 . GLU C 251 ? 0.7641 0.6345 0.6727 0.0723 -0.0314 -0.0067 269 GLU C OE2 +10448 N N . ALA C 252 ? 0.8386 0.7473 0.7758 0.0877 -0.0309 -0.0159 270 ALA C N +10449 C CA . ALA C 252 ? 0.7468 0.6668 0.6925 0.0855 -0.0298 -0.0170 270 ALA C CA +10450 C C . ALA C 252 ? 0.7787 0.7025 0.7276 0.0851 -0.0267 -0.0188 270 ALA C C +10451 O O . ALA C 252 ? 0.8376 0.7659 0.7898 0.0808 -0.0247 -0.0189 270 ALA C O +10452 C CB . ALA C 252 ? 0.6979 0.6258 0.6493 0.0892 -0.0321 -0.0181 270 ALA C CB +10453 N N . TYR C 253 ? 0.7974 0.7193 0.7449 0.0896 -0.0263 -0.0202 271 TYR C N +10454 C CA . TYR C 253 ? 0.8138 0.7390 0.7640 0.0895 -0.0232 -0.0219 271 TYR C CA +10455 C C . TYR C 253 ? 0.6565 0.5757 0.6021 0.0848 -0.0210 -0.0208 271 TYR C C +10456 O O . TYR C 253 ? 0.6735 0.5975 0.6226 0.0818 -0.0185 -0.0216 271 TYR C O +10457 C CB . TYR C 253 ? 0.8462 0.7690 0.7947 0.0954 -0.0232 -0.0234 271 TYR C CB +10458 C CG . TYR C 253 ? 0.8801 0.8088 0.8330 0.1005 -0.0256 -0.0245 271 TYR C CG +10459 C CD1 . TYR C 253 ? 0.7811 0.7201 0.7418 0.0995 -0.0265 -0.0250 271 TYR C CD1 +10460 C CD2 . TYR C 253 ? 0.9166 0.8404 0.8658 0.1063 -0.0270 -0.0251 271 TYR C CD2 +10461 C CE1 . TYR C 253 ? 0.7576 0.7020 0.7223 0.1042 -0.0289 -0.0261 271 TYR C CE1 +10462 C CE2 . TYR C 253 ? 0.7984 0.7275 0.7516 0.1111 -0.0294 -0.0261 271 TYR C CE2 +10463 C CZ . TYR C 253 ? 0.8553 0.7949 0.8163 0.1101 -0.0304 -0.0267 271 TYR C CZ +10464 O OH . TYR C 253 ? 0.9657 0.9109 0.9308 0.1149 -0.0329 -0.0278 271 TYR C OH +10465 N N . LEU C 254 ? 0.7958 0.7045 0.7335 0.0840 -0.0220 -0.0192 272 LEU C N +10466 C CA . LEU C 254 ? 0.7870 0.6898 0.7202 0.0794 -0.0203 -0.0181 272 LEU C CA +10467 C C . LEU C 254 ? 0.7879 0.6964 0.7252 0.0741 -0.0196 -0.0173 272 LEU C C +10468 O O . LEU C 254 ? 0.7990 0.7088 0.7371 0.0708 -0.0172 -0.0177 272 LEU C O +10469 C CB . LEU C 254 ? 0.7990 0.6903 0.7237 0.0791 -0.0219 -0.0163 272 LEU C CB +10470 C CG . LEU C 254 ? 0.7607 0.6462 0.6811 0.0740 -0.0205 -0.0152 272 LEU C CG +10471 C CD1 . LEU C 254 ? 0.6850 0.5702 0.6050 0.0738 -0.0178 -0.0167 272 LEU C CD1 +10472 C CD2 . LEU C 254 ? 0.7785 0.6528 0.6908 0.0739 -0.0220 -0.0135 272 LEU C CD2 +10473 N N . SER C 255 ? 0.7563 0.6681 0.6961 0.0733 -0.0216 -0.0164 273 SER C N +10474 C CA . SER C 255 ? 0.7338 0.6502 0.6768 0.0683 -0.0211 -0.0155 273 SER C CA +10475 C C . SER C 255 ? 0.6917 0.6178 0.6419 0.0671 -0.0189 -0.0171 273 SER C C +10476 O O . SER C 255 ? 0.7409 0.6686 0.6922 0.0627 -0.0173 -0.0166 273 SER C O +10477 C CB . SER C 255 ? 0.6976 0.6158 0.6420 0.0683 -0.0238 -0.0143 273 SER C CB +10478 O OG . SER C 255 ? 0.7262 0.6542 0.6779 0.0703 -0.0245 -0.0156 273 SER C OG +10479 N N . TYR C 256 ? 0.6653 0.5978 0.6205 0.0710 -0.0188 -0.0189 274 TYR C N +10480 C CA . TYR C 256 ? 0.6780 0.6198 0.6402 0.0697 -0.0165 -0.0205 274 TYR C CA +10481 C C . TYR C 256 ? 0.7755 0.7145 0.7353 0.0680 -0.0134 -0.0210 274 TYR C C +10482 O O . TYR C 256 ? 0.7325 0.6757 0.6951 0.0643 -0.0113 -0.0212 274 TYR C O +10483 C CB . TYR C 256 ? 0.7468 0.6963 0.7151 0.0744 -0.0169 -0.0226 274 TYR C CB +10484 C CG . TYR C 256 ? 0.7458 0.6977 0.7160 0.0772 -0.0202 -0.0224 274 TYR C CG +10485 C CD1 . TYR C 256 ? 0.7426 0.6944 0.7127 0.0743 -0.0221 -0.0207 274 TYR C CD1 +10486 C CD2 . TYR C 256 ? 0.6759 0.6300 0.6480 0.0828 -0.0215 -0.0238 274 TYR C CD2 +10487 C CE1 . TYR C 256 ? 0.7335 0.6872 0.7049 0.0769 -0.0252 -0.0205 274 TYR C CE1 +10488 C CE2 . TYR C 256 ? 0.7758 0.7320 0.7495 0.0856 -0.0247 -0.0237 274 TYR C CE2 +10489 C CZ . TYR C 256 ? 0.7929 0.7488 0.7661 0.0825 -0.0266 -0.0220 274 TYR C CZ +10490 O OH . TYR C 256 ? 0.7292 0.6869 0.7036 0.0851 -0.0298 -0.0218 274 TYR C OH +10491 N N . SER C 257 ? 0.7149 0.6466 0.6691 0.0707 -0.0132 -0.0213 275 SER C N +10492 C CA . SER C 257 ? 0.7304 0.6584 0.6814 0.0693 -0.0105 -0.0218 275 SER C CA +10493 C C . SER C 257 ? 0.6880 0.6111 0.6350 0.0641 -0.0101 -0.0201 275 SER C C +10494 O O . SER C 257 ? 0.7270 0.6508 0.6739 0.0613 -0.0076 -0.0204 275 SER C O +10495 C CB . SER C 257 ? 0.7485 0.6687 0.6937 0.0734 -0.0107 -0.0224 275 SER C CB +10496 O OG . SER C 257 ? 0.8111 0.7365 0.7604 0.0783 -0.0104 -0.0243 275 SER C OG +10497 N N . LEU C 258 ? 0.7626 0.6806 0.7060 0.0627 -0.0123 -0.0182 276 LEU C N +10498 C CA . LEU C 258 ? 0.7263 0.6401 0.6663 0.0577 -0.0120 -0.0167 276 LEU C CA +10499 C C . LEU C 258 ? 0.7309 0.6525 0.6764 0.0539 -0.0109 -0.0166 276 LEU C C +10500 O O . LEU C 258 ? 0.6996 0.6203 0.6439 0.0503 -0.0092 -0.0162 276 LEU C O +10501 C CB . LEU C 258 ? 0.6618 0.5691 0.5973 0.0571 -0.0146 -0.0148 276 LEU C CB +10502 C CG . LEU C 258 ? 0.7806 0.6781 0.7090 0.0596 -0.0156 -0.0144 276 LEU C CG +10503 C CD1 . LEU C 258 ? 0.7315 0.6239 0.6564 0.0590 -0.0182 -0.0125 276 LEU C CD1 +10504 C CD2 . LEU C 258 ? 0.7906 0.6815 0.7138 0.0577 -0.0140 -0.0145 276 LEU C CD2 +10505 N N . GLY C 259 ? 0.6698 0.5991 0.6214 0.0548 -0.0118 -0.0169 277 GLY C N +10506 C CA . GLY C 259 ? 0.6154 0.5524 0.5725 0.0515 -0.0105 -0.0171 277 GLY C CA +10507 C C . GLY C 259 ? 0.6393 0.5800 0.5988 0.0510 -0.0074 -0.0186 277 GLY C C +10508 O O . GLY C 259 ? 0.6301 0.5724 0.5903 0.0472 -0.0057 -0.0183 277 GLY C O +10509 N N . ALA C 260 ? 0.7278 0.6699 0.6884 0.0550 -0.0065 -0.0203 278 ALA C N +10510 C CA . ALA C 260 ? 0.7344 0.6803 0.6973 0.0549 -0.0033 -0.0219 278 ALA C CA +10511 C C . ALA C 260 ? 0.7274 0.6663 0.6843 0.0525 -0.0016 -0.0214 278 ALA C C +10512 O O . ALA C 260 ? 0.7242 0.6656 0.6822 0.0499 0.0009 -0.0218 278 ALA C O +10513 C CB . ALA C 260 ? 0.7738 0.7221 0.7388 0.0601 -0.0029 -0.0238 278 ALA C CB +10514 N N . LEU C 261 ? 0.7452 0.6751 0.6953 0.0534 -0.0029 -0.0206 279 LEU C N +10515 C CA . LEU C 261 ? 0.7599 0.6830 0.7040 0.0513 -0.0015 -0.0203 279 LEU C CA +10516 C C . LEU C 261 ? 0.7691 0.6918 0.7125 0.0461 -0.0014 -0.0188 279 LEU C C +10517 O O . LEU C 261 ? 0.7207 0.6424 0.6624 0.0437 0.0005 -0.0189 279 LEU C O +10518 C CB . LEU C 261 ? 0.7548 0.6684 0.6922 0.0534 -0.0031 -0.0198 279 LEU C CB +10519 C CG . LEU C 261 ? 0.9597 0.8699 0.8940 0.0564 -0.0014 -0.0214 279 LEU C CG +10520 C CD1 . LEU C 261 ? 0.8041 0.7204 0.7433 0.0611 -0.0009 -0.0231 279 LEU C CD1 +10521 C CD2 . LEU C 261 ? 0.9033 0.8029 0.8300 0.0574 -0.0028 -0.0208 279 LEU C CD2 +10522 N N . SER C 262 ? 0.7028 0.6263 0.6474 0.0446 -0.0036 -0.0173 280 SER C N +10523 C CA . SER C 262 ? 0.6642 0.5877 0.6084 0.0399 -0.0037 -0.0159 280 SER C CA +10524 C C . SER C 262 ? 0.7021 0.6327 0.6510 0.0378 -0.0013 -0.0166 280 SER C C +10525 O O . SER C 262 ? 0.7371 0.6662 0.6840 0.0346 0.0001 -0.0162 280 SER C O +10526 C CB . SER C 262 ? 0.7409 0.6651 0.6864 0.0392 -0.0063 -0.0145 280 SER C CB +10527 O OG . SER C 262 ? 0.7594 0.6858 0.7063 0.0350 -0.0062 -0.0134 280 SER C OG +10528 N N . MET C 263 ? 0.7036 0.6420 0.6588 0.0395 -0.0008 -0.0177 281 MET C N +10529 C CA . MET C 263 ? 0.7033 0.6487 0.6633 0.0376 0.0016 -0.0185 281 MET C CA +10530 C C . MET C 263 ? 0.7710 0.7146 0.7285 0.0374 0.0045 -0.0195 281 MET C C +10531 O O . MET C 263 ? 0.7061 0.6510 0.6637 0.0342 0.0064 -0.0193 281 MET C O +10532 C CB . MET C 263 ? 0.6814 0.6351 0.6485 0.0401 0.0015 -0.0198 281 MET C CB +10533 C CG . MET C 263 ? 0.9004 0.8616 0.8728 0.0389 0.0043 -0.0211 281 MET C CG +10534 S SD . MET C 263 ? 1.0266 0.9979 1.0078 0.0414 0.0034 -0.0224 281 MET C SD +10535 C CE . MET C 263 ? 1.0701 1.0491 1.0566 0.0398 0.0075 -0.0240 281 MET C CE +10536 N N . MET C 264 ? 0.7238 0.6640 0.6787 0.0409 0.0050 -0.0206 282 MET C N +10537 C CA . MET C 264 ? 0.6623 0.6005 0.6145 0.0411 0.0077 -0.0217 282 MET C CA +10538 C C . MET C 264 ? 0.6152 0.5459 0.5608 0.0380 0.0077 -0.0205 282 MET C C +10539 O O . MET C 264 ? 0.7150 0.6457 0.6592 0.0360 0.0100 -0.0208 282 MET C O +10540 C CB . MET C 264 ? 0.6487 0.5846 0.5994 0.0458 0.0079 -0.0231 282 MET C CB +10541 C CG . MET C 264 ? 0.7107 0.6549 0.6684 0.0489 0.0086 -0.0246 282 MET C CG +10542 S SD . MET C 264 ? 0.8507 0.7928 0.8069 0.0548 0.0090 -0.0265 282 MET C SD +10543 C CE . MET C 264 ? 0.8401 0.7773 0.7939 0.0574 0.0049 -0.0254 282 MET C CE +10544 N N . GLY C 265 ? 0.6903 0.6148 0.6317 0.0375 0.0052 -0.0192 283 GLY C N +10545 C CA . GLY C 265 ? 0.6928 0.6108 0.6285 0.0344 0.0049 -0.0181 283 GLY C CA +10546 C C . GLY C 265 ? 0.6580 0.5792 0.5954 0.0302 0.0057 -0.0172 283 GLY C C +10547 O O . GLY C 265 ? 0.7211 0.6395 0.6551 0.0281 0.0070 -0.0171 283 GLY C O +10548 N N . PHE C 266 ? 0.6588 0.5857 0.6012 0.0291 0.0048 -0.0165 284 PHE C N +10549 C CA . PHE C 266 ? 0.6467 0.5769 0.5910 0.0253 0.0056 -0.0157 284 PHE C CA +10550 C C . PHE C 266 ? 0.7373 0.6715 0.6835 0.0249 0.0089 -0.0169 284 PHE C C +10551 O O . PHE C 266 ? 0.6307 0.5641 0.5751 0.0219 0.0102 -0.0165 284 PHE C O +10552 C CB . PHE C 266 ? 0.6540 0.5896 0.6035 0.0245 0.0041 -0.0150 284 PHE C CB +10553 C CG . PHE C 266 ? 0.7206 0.6522 0.6679 0.0240 0.0011 -0.0135 284 PHE C CG +10554 C CD1 . PHE C 266 ? 0.6528 0.5784 0.5951 0.0215 0.0002 -0.0122 284 PHE C CD1 +10555 C CD2 . PHE C 266 ? 0.6888 0.6228 0.6391 0.0259 -0.0009 -0.0133 284 PHE C CD2 +10556 C CE1 . PHE C 266 ? 0.6848 0.6069 0.6252 0.0208 -0.0022 -0.0108 284 PHE C CE1 +10557 C CE2 . PHE C 266 ? 0.7671 0.6974 0.7152 0.0254 -0.0035 -0.0118 284 PHE C CE2 +10558 C CZ . PHE C 266 ? 0.6514 0.5758 0.5947 0.0228 -0.0041 -0.0106 284 PHE C CZ +10559 N N . ILE C 267 ? 0.6044 0.5429 0.5541 0.0278 0.0103 -0.0185 285 ILE C N +10560 C CA . ILE C 267 ? 0.6747 0.6171 0.6263 0.0273 0.0137 -0.0197 285 ILE C CA +10561 C C . ILE C 267 ? 0.6751 0.6111 0.6202 0.0271 0.0152 -0.0200 285 ILE C C +10562 O O . ILE C 267 ? 0.7719 0.7081 0.7157 0.0248 0.0174 -0.0200 285 ILE C O +10563 C CB . ILE C 267 ? 0.6691 0.6180 0.6264 0.0306 0.0148 -0.0214 285 ILE C CB +10564 C CG1 . ILE C 267 ? 0.7579 0.7141 0.7220 0.0301 0.0137 -0.0212 285 ILE C CG1 +10565 C CG2 . ILE C 267 ? 0.6519 0.6037 0.6101 0.0307 0.0186 -0.0228 285 ILE C CG2 +10566 C CD1 . ILE C 267 ? 0.6725 0.6348 0.6423 0.0339 0.0137 -0.0228 285 ILE C CD1 +10567 N N . ALA C 268 ? 0.6846 0.6146 0.6253 0.0295 0.0140 -0.0203 286 ALA C N +10568 C CA . ALA C 268 ? 0.6591 0.5825 0.5933 0.0294 0.0152 -0.0207 286 ALA C CA +10569 C C . ALA C 268 ? 0.6791 0.5984 0.6092 0.0255 0.0145 -0.0193 286 ALA C C +10570 O O . ALA C 268 ? 0.6977 0.6143 0.6239 0.0243 0.0163 -0.0196 286 ALA C O +10571 C CB . ALA C 268 ? 0.6730 0.5904 0.6032 0.0326 0.0136 -0.0211 286 ALA C CB +10572 N N A THR C 269 ? 0.6895 0.6081 0.6200 0.0237 0.0119 -0.0178 287 THR C N +10573 N N B THR C 269 ? 0.6901 0.6087 0.6206 0.0237 0.0119 -0.0178 287 THR C N +10574 C CA A THR C 269 ? 0.6991 0.6145 0.6264 0.0201 0.0112 -0.0164 287 THR C CA +10575 C CA B THR C 269 ? 0.6999 0.6153 0.6271 0.0201 0.0111 -0.0164 287 THR C CA +10576 C C A THR C 269 ? 0.6706 0.5899 0.5994 0.0177 0.0135 -0.0164 287 THR C C +10577 C C B THR C 269 ? 0.6695 0.5887 0.5983 0.0177 0.0135 -0.0164 287 THR C C +10578 O O A THR C 269 ? 0.7258 0.6415 0.6501 0.0158 0.0143 -0.0162 287 THR C O +10579 O O B THR C 269 ? 0.7276 0.6433 0.6520 0.0159 0.0143 -0.0162 287 THR C O +10580 C CB A THR C 269 ? 0.7160 0.6316 0.6449 0.0187 0.0083 -0.0149 287 THR C CB +10581 C CB B THR C 269 ? 0.7170 0.6326 0.6459 0.0187 0.0083 -0.0149 287 THR C CB +10582 O OG1 A THR C 269 ? 0.6791 0.5898 0.6053 0.0206 0.0062 -0.0148 287 THR C OG1 +10583 O OG1 B THR C 269 ? 0.6789 0.5899 0.6054 0.0207 0.0062 -0.0147 287 THR C OG1 +10584 C CG2 A THR C 269 ? 0.6410 0.5544 0.5673 0.0150 0.0076 -0.0136 287 THR C CG2 +10585 C CG2 B THR C 269 ? 0.6405 0.5536 0.5666 0.0150 0.0075 -0.0135 287 THR C CG2 +10586 N N A CYS C 270 ? 0.6990 0.6255 0.6338 0.0177 0.0147 -0.0167 288 CYS C N +10587 N N B CYS C 270 ? 0.6994 0.6258 0.6342 0.0177 0.0146 -0.0167 288 CYS C N +10588 C CA A CYS C 270 ? 0.6708 0.6009 0.6072 0.0152 0.0170 -0.0166 288 CYS C CA +10589 C CA B CYS C 270 ? 0.6698 0.5999 0.6062 0.0153 0.0170 -0.0166 288 CYS C CA +10590 C C A CYS C 270 ? 0.7037 0.6337 0.6384 0.0163 0.0203 -0.0180 288 CYS C C +10591 C C B CYS C 270 ? 0.7043 0.6339 0.6386 0.0163 0.0202 -0.0180 288 CYS C C +10592 O O A CYS C 270 ? 0.7059 0.6351 0.6382 0.0141 0.0221 -0.0179 288 CYS C O +10593 O O B CYS C 270 ? 0.7098 0.6382 0.6414 0.0142 0.0219 -0.0178 288 CYS C O +10594 C CB A CYS C 270 ? 0.6885 0.6264 0.6321 0.0148 0.0172 -0.0166 288 CYS C CB +10595 C CB B CYS C 270 ? 0.6889 0.6266 0.6323 0.0148 0.0172 -0.0166 288 CYS C CB +10596 S SG A CYS C 270 ? 0.7044 0.6425 0.6495 0.0127 0.0138 -0.0148 288 CYS C SG +10597 S SG B CYS C 270 ? 0.7034 0.6416 0.6486 0.0128 0.0138 -0.0148 288 CYS C SG +10598 N N . PHE C 271 ? 0.6788 0.6094 0.6144 0.0197 0.0210 -0.0195 289 PHE C N +10599 C CA . PHE C 271 ? 0.6962 0.6264 0.6298 0.0210 0.0242 -0.0209 289 PHE C CA +10600 C C . PHE C 271 ? 0.6272 0.5500 0.5531 0.0198 0.0244 -0.0206 289 PHE C C +10601 O O . PHE C 271 ? 0.6932 0.6157 0.6170 0.0184 0.0269 -0.0208 289 PHE C O +10602 C CB . PHE C 271 ? 0.7214 0.6523 0.6564 0.0251 0.0244 -0.0224 289 PHE C CB +10603 C CG . PHE C 271 ? 0.7113 0.6495 0.6519 0.0265 0.0274 -0.0238 289 PHE C CG +10604 C CD1 . PHE C 271 ? 0.6382 0.5772 0.5776 0.0258 0.0309 -0.0247 289 PHE C CD1 +10605 C CD2 . PHE C 271 ? 0.7037 0.6481 0.6510 0.0285 0.0266 -0.0244 289 PHE C CD2 +10606 C CE1 . PHE C 271 ? 0.7356 0.6816 0.6804 0.0270 0.0338 -0.0260 289 PHE C CE1 +10607 C CE2 . PHE C 271 ? 0.6814 0.6331 0.6344 0.0297 0.0293 -0.0259 289 PHE C CE2 +10608 C CZ . PHE C 271 ? 0.6554 0.6080 0.6073 0.0289 0.0330 -0.0267 289 PHE C CZ +10609 N N A VAL C 272 ? 0.6997 0.6161 0.6212 0.0203 0.0218 -0.0201 290 VAL C N +10610 N N B VAL C 272 ? 0.7017 0.6181 0.6231 0.0204 0.0218 -0.0202 290 VAL C N +10611 C CA A VAL C 272 ? 0.6719 0.5813 0.5861 0.0193 0.0218 -0.0200 290 VAL C CA +10612 C CA B VAL C 272 ? 0.6710 0.5803 0.5852 0.0194 0.0219 -0.0201 290 VAL C CA +10613 C C A VAL C 272 ? 0.7250 0.6336 0.6376 0.0155 0.0213 -0.0186 290 VAL C C +10614 C C B VAL C 272 ? 0.7259 0.6344 0.6383 0.0157 0.0213 -0.0187 290 VAL C C +10615 O O A VAL C 272 ? 0.7497 0.6544 0.6572 0.0143 0.0222 -0.0187 290 VAL C O +10616 O O B VAL C 272 ? 0.7549 0.6591 0.6620 0.0145 0.0221 -0.0188 290 VAL C O +10617 C CB A VAL C 272 ? 0.7352 0.6382 0.6454 0.0209 0.0192 -0.0201 290 VAL C CB +10618 C CB B VAL C 272 ? 0.7364 0.6392 0.6465 0.0210 0.0193 -0.0202 290 VAL C CB +10619 C CG1 A VAL C 272 ? 0.6540 0.5558 0.5649 0.0191 0.0159 -0.0185 290 VAL C CG1 +10620 C CG1 B VAL C 272 ? 0.6517 0.5539 0.5630 0.0195 0.0160 -0.0186 290 VAL C CG1 +10621 C CG2 A VAL C 272 ? 0.7065 0.6023 0.6092 0.0208 0.0196 -0.0207 290 VAL C CG2 +10622 C CG2 B VAL C 272 ? 0.7066 0.6022 0.6092 0.0205 0.0195 -0.0206 290 VAL C CG2 +10623 N N A TRP C 273 ? 0.7176 0.6300 0.6344 0.0137 0.0199 -0.0174 291 TRP C N +10624 N N B TRP C 273 ? 0.7184 0.6309 0.6352 0.0139 0.0200 -0.0175 291 TRP C N +10625 C CA A TRP C 273 ? 0.6917 0.6032 0.6068 0.0103 0.0193 -0.0161 291 TRP C CA +10626 C CA B TRP C 273 ? 0.6917 0.6034 0.6069 0.0105 0.0195 -0.0162 291 TRP C CA +10627 C C A TRP C 273 ? 0.6886 0.6035 0.6046 0.0089 0.0225 -0.0163 291 TRP C C +10628 C C B TRP C 273 ? 0.6895 0.6048 0.6059 0.0090 0.0226 -0.0163 291 TRP C C +10629 O O A TRP C 273 ? 0.6920 0.6039 0.6038 0.0069 0.0230 -0.0158 291 TRP C O +10630 O O B TRP C 273 ? 0.6873 0.5999 0.5998 0.0068 0.0230 -0.0157 291 TRP C O +10631 C CB A TRP C 273 ? 0.6290 0.5428 0.5477 0.0088 0.0168 -0.0147 291 TRP C CB +10632 C CB B TRP C 273 ? 0.6279 0.5418 0.5467 0.0090 0.0169 -0.0148 291 TRP C CB +10633 C CG A TRP C 273 ? 0.6440 0.5553 0.5599 0.0057 0.0155 -0.0133 291 TRP C CG +10634 C CG B TRP C 273 ? 0.6444 0.5561 0.5606 0.0059 0.0157 -0.0134 291 TRP C CG +10635 C CD1 A TRP C 273 ? 0.6774 0.5922 0.5958 0.0033 0.0158 -0.0123 291 TRP C CD1 +10636 C CD1 B TRP C 273 ? 0.6770 0.5922 0.5957 0.0035 0.0161 -0.0125 291 TRP C CD1 +10637 C CD2 A TRP C 273 ? 0.6784 0.5834 0.5885 0.0047 0.0139 -0.0129 291 TRP C CD2 +10638 C CD2 B TRP C 273 ? 0.6789 0.5842 0.5893 0.0048 0.0140 -0.0129 291 TRP C CD2 +10639 N NE1 A TRP C 273 ? 0.6847 0.5957 0.5992 0.0011 0.0144 -0.0113 291 TRP C NE1 +10640 N NE1 B TRP C 273 ? 0.6894 0.6009 0.6042 0.0013 0.0147 -0.0114 291 TRP C NE1 +10641 C CE2 A TRP C 273 ? 0.6636 0.5689 0.5732 0.0019 0.0131 -0.0116 291 TRP C CE2 +10642 C CE2 B TRP C 273 ? 0.6646 0.5703 0.5745 0.0020 0.0133 -0.0117 291 TRP C CE2 +10643 C CE3 A TRP C 273 ? 0.6911 0.5902 0.5963 0.0060 0.0128 -0.0135 291 TRP C CE3 +10644 C CE3 B TRP C 273 ? 0.6926 0.5920 0.5982 0.0061 0.0129 -0.0135 291 TRP C CE3 +10645 C CZ2 A TRP C 273 ? 0.6094 0.5097 0.5142 0.0003 0.0114 -0.0110 291 TRP C CZ2 +10646 C CZ2 B TRP C 273 ? 0.6083 0.5090 0.5134 0.0004 0.0116 -0.0110 291 TRP C CZ2 +10647 C CZ3 A TRP C 273 ? 0.6482 0.5423 0.5486 0.0042 0.0111 -0.0129 291 TRP C CZ3 +10648 C CZ3 B TRP C 273 ? 0.6493 0.5437 0.5501 0.0043 0.0112 -0.0129 291 TRP C CZ3 +10649 C CH2 A TRP C 273 ? 0.6467 0.5416 0.5471 0.0015 0.0104 -0.0117 291 TRP C CH2 +10650 C CH2 B TRP C 273 ? 0.6476 0.5430 0.5484 0.0015 0.0105 -0.0117 291 TRP C CH2 +10651 N N A PHE C 274 ? 0.7019 0.6229 0.6233 0.0099 0.0246 -0.0171 292 PHE C N +10652 N N B PHE C 274 ? 0.7043 0.6256 0.6259 0.0100 0.0248 -0.0172 292 PHE C N +10653 C CA A PHE C 274 ? 0.6098 0.5344 0.5327 0.0082 0.0277 -0.0172 292 PHE C CA +10654 C CA B PHE C 274 ? 0.6090 0.5338 0.5320 0.0083 0.0278 -0.0173 292 PHE C CA +10655 C C A PHE C 274 ? 0.6779 0.6028 0.5994 0.0098 0.0312 -0.0187 292 PHE C C +10656 C C B PHE C 274 ? 0.6790 0.6041 0.6007 0.0099 0.0313 -0.0188 292 PHE C C +10657 O O A PHE C 274 ? 0.6921 0.6167 0.6114 0.0082 0.0337 -0.0187 292 PHE C O +10658 O O B PHE C 274 ? 0.6932 0.6179 0.6125 0.0083 0.0338 -0.0188 292 PHE C O +10659 C CB A PHE C 274 ? 0.6512 0.5833 0.5816 0.0075 0.0280 -0.0170 292 PHE C CB +10660 C CB B PHE C 274 ? 0.6512 0.5834 0.5817 0.0075 0.0281 -0.0170 292 PHE C CB +10661 C CG A PHE C 274 ? 0.6484 0.5808 0.5801 0.0052 0.0252 -0.0154 292 PHE C CG +10662 C CG B PHE C 274 ? 0.6479 0.5804 0.5796 0.0051 0.0255 -0.0154 292 PHE C CG +10663 C CD1 A PHE C 274 ? 0.6465 0.5782 0.5765 0.0022 0.0257 -0.0143 292 PHE C CD1 +10664 C CD1 B PHE C 274 ? 0.6448 0.5766 0.5747 0.0021 0.0261 -0.0144 292 PHE C CD1 +10665 C CD2 A PHE C 274 ? 0.6255 0.5586 0.5598 0.0062 0.0222 -0.0150 292 PHE C CD2 +10666 C CD2 B PHE C 274 ? 0.6257 0.5590 0.5600 0.0061 0.0224 -0.0150 292 PHE C CD2 +10667 C CE1 A PHE C 274 ? 0.7142 0.6461 0.6453 0.0002 0.0233 -0.0129 292 PHE C CE1 +10668 C CE1 B PHE C 274 ? 0.7146 0.6466 0.6456 0.0001 0.0237 -0.0129 292 PHE C CE1 +10669 C CE2 A PHE C 274 ? 0.7063 0.6398 0.6418 0.0042 0.0199 -0.0135 292 PHE C CE2 +10670 C CE2 B PHE C 274 ? 0.7104 0.6439 0.6458 0.0040 0.0201 -0.0135 292 PHE C CE2 +10671 C CZ A PHE C 274 ? 0.6235 0.5564 0.5574 0.0012 0.0204 -0.0125 292 PHE C CZ +10672 C CZ B PHE C 274 ? 0.6245 0.5576 0.5583 0.0010 0.0208 -0.0125 292 PHE C CZ +10673 N N A ASN C 275 ? 0.6618 0.5872 0.5844 0.0130 0.0316 -0.0201 293 ASN C N +10674 N N B ASN C 275 ? 0.6624 0.5881 0.5853 0.0131 0.0317 -0.0201 293 ASN C N +10675 C CA A ASN C 275 ? 0.7408 0.6681 0.6636 0.0147 0.0352 -0.0216 293 ASN C CA +10676 C CA B ASN C 275 ? 0.7437 0.6711 0.6666 0.0148 0.0353 -0.0217 293 ASN C CA +10677 C C A ASN C 275 ? 0.6385 0.5586 0.5534 0.0153 0.0361 -0.0221 293 ASN C C +10678 C C B ASN C 275 ? 0.6375 0.5577 0.5524 0.0153 0.0361 -0.0221 293 ASN C C +10679 O O A ASN C 275 ? 0.6605 0.5752 0.5714 0.0165 0.0337 -0.0221 293 ASN C O +10680 O O B ASN C 275 ? 0.6608 0.5754 0.5715 0.0164 0.0337 -0.0221 293 ASN C O +10681 C CB A ASN C 275 ? 0.6342 0.5656 0.5620 0.0181 0.0353 -0.0230 293 ASN C CB +10682 C CB B ASN C 275 ? 0.6328 0.5642 0.5606 0.0183 0.0354 -0.0231 293 ASN C CB +10683 C CG A ASN C 275 ? 0.7321 0.6670 0.6615 0.0197 0.0393 -0.0247 293 ASN C CG +10684 C CG B ASN C 275 ? 0.7339 0.6689 0.6634 0.0198 0.0394 -0.0247 293 ASN C CG +10685 O OD1 A ASN C 275 ? 0.7023 0.6327 0.6265 0.0211 0.0408 -0.0255 293 ASN C OD1 +10686 O OD1 B ASN C 275 ? 0.7043 0.6352 0.6288 0.0211 0.0410 -0.0256 293 ASN C OD1 +10687 N ND2 A ASN C 275 ? 0.6916 0.6343 0.6280 0.0193 0.0412 -0.0252 293 ASN C ND2 +10688 N ND2 B ASN C 275 ? 0.6918 0.6348 0.6286 0.0195 0.0411 -0.0252 293 ASN C ND2 +10689 N N . ASN C 276 ? 0.6655 0.5856 0.5780 0.0144 0.0395 -0.0226 294 ASN C N +10690 C CA . ASN C 276 ? 0.7757 0.6892 0.6805 0.0150 0.0406 -0.0231 294 ASN C CA +10691 C C . ASN C 276 ? 0.7058 0.6210 0.6107 0.0174 0.0444 -0.0249 294 ASN C C +10692 O O . ASN C 276 ? 0.6969 0.6076 0.5957 0.0176 0.0463 -0.0255 294 ASN C O +10693 C CB . ASN C 276 ? 0.6567 0.5666 0.5563 0.0119 0.0409 -0.0220 294 ASN C CB +10694 C CG . ASN C 276 ? 0.7103 0.6249 0.6126 0.0098 0.0443 -0.0217 294 ASN C CG +10695 O OD1 . ASN C 276 ? 0.7980 0.7191 0.7066 0.0104 0.0464 -0.0224 294 ASN C OD1 +10696 N ND2 . ASN C 276 ? 0.6633 0.5744 0.5607 0.0073 0.0448 -0.0207 294 ASN C ND2 +10697 N N . THR C 277 ? 0.7592 0.6808 0.6709 0.0194 0.0454 -0.0259 295 THR C N +10698 C CA . THR C 277 ? 0.7142 0.6381 0.6269 0.0220 0.0489 -0.0277 295 THR C CA +10699 C C . THR C 277 ? 0.7530 0.6742 0.6646 0.0258 0.0474 -0.0289 295 THR C C +10700 O O . THR C 277 ? 0.7558 0.6722 0.6619 0.0276 0.0487 -0.0299 295 THR C O +10701 C CB . THR C 277 ? 0.7204 0.6536 0.6417 0.0217 0.0513 -0.0283 295 THR C CB +10702 O OG1 . THR C 277 ? 0.7347 0.6695 0.6562 0.0181 0.0530 -0.0272 295 THR C OG1 +10703 C CG2 . THR C 277 ? 0.7066 0.6428 0.6295 0.0245 0.0550 -0.0303 295 THR C CG2 +10704 N N . VAL C 278 ? 0.6826 0.6066 0.5991 0.0272 0.0447 -0.0288 296 VAL C N +10705 C CA . VAL C 278 ? 0.7200 0.6407 0.6350 0.0308 0.0429 -0.0297 296 VAL C CA +10706 C C . VAL C 278 ? 0.7080 0.6207 0.6169 0.0300 0.0393 -0.0286 296 VAL C C +10707 O O . VAL C 278 ? 0.7550 0.6634 0.6613 0.0327 0.0376 -0.0292 296 VAL C O +10708 C CB . VAL C 278 ? 0.8216 0.7488 0.7445 0.0330 0.0417 -0.0301 296 VAL C CB +10709 C CG1 . VAL C 278 ? 0.6923 0.6279 0.6216 0.0339 0.0453 -0.0314 296 VAL C CG1 +10710 C CG2 . VAL C 278 ? 0.6796 0.6086 0.6058 0.0306 0.0383 -0.0284 296 VAL C CG2 +10711 N N . TYR C 279 ? 0.6900 0.6004 0.5965 0.0265 0.0379 -0.0271 297 TYR C N +10712 C CA . TYR C 279 ? 0.6849 0.5874 0.5846 0.0254 0.0351 -0.0262 297 TYR C CA +10713 C C . TYR C 279 ? 0.7968 0.6962 0.6912 0.0229 0.0368 -0.0259 297 TYR C C +10714 O O . TYR C 279 ? 0.7546 0.6546 0.6492 0.0198 0.0360 -0.0245 297 TYR C O +10715 C CB . TYR C 279 ? 0.6766 0.5792 0.5785 0.0236 0.0314 -0.0246 297 TYR C CB +10716 C CG . TYR C 279 ? 0.7788 0.6838 0.6853 0.0260 0.0295 -0.0248 297 TYR C CG +10717 C CD1 . TYR C 279 ? 0.6772 0.5763 0.5801 0.0279 0.0271 -0.0251 297 TYR C CD1 +10718 C CD2 . TYR C 279 ? 0.6089 0.5218 0.5231 0.0264 0.0300 -0.0248 297 TYR C CD2 +10719 C CE1 . TYR C 279 ? 0.6653 0.5662 0.5719 0.0303 0.0254 -0.0252 297 TYR C CE1 +10720 C CE2 . TYR C 279 ? 0.7365 0.6514 0.6546 0.0288 0.0281 -0.0250 297 TYR C CE2 +10721 C CZ . TYR C 279 ? 0.7255 0.6342 0.6396 0.0308 0.0259 -0.0252 297 TYR C CZ +10722 O OH . TYR C 279 ? 0.8238 0.7342 0.7414 0.0333 0.0240 -0.0253 297 TYR C OH +10723 N N . PRO C 280 ? 0.8203 0.7161 0.7097 0.0243 0.0392 -0.0272 298 PRO C N +10724 C CA . PRO C 280 ? 0.8323 0.7253 0.7164 0.0222 0.0411 -0.0269 298 PRO C CA +10725 C C . PRO C 280 ? 0.6870 0.5739 0.5655 0.0199 0.0380 -0.0257 298 PRO C C +10726 O O . PRO C 280 ? 0.7893 0.6712 0.6648 0.0207 0.0352 -0.0258 298 PRO C O +10727 C CB . PRO C 280 ? 0.7721 0.6618 0.6516 0.0249 0.0438 -0.0287 298 PRO C CB +10728 C CG . PRO C 280 ? 0.7541 0.6479 0.6389 0.0283 0.0444 -0.0299 298 PRO C CG +10729 C CD . PRO C 280 ? 0.8001 0.6947 0.6886 0.0281 0.0404 -0.0289 298 PRO C CD +10730 N N . SER C 281 ? 0.7065 0.5937 0.5837 0.0170 0.0386 -0.0246 299 SER C N +10731 C CA . SER C 281 ? 0.7274 0.6094 0.5997 0.0148 0.0357 -0.0235 299 SER C CA +10732 C C . SER C 281 ? 0.8204 0.6946 0.6843 0.0157 0.0354 -0.0244 299 SER C C +10733 O O . SER C 281 ? 0.8039 0.6733 0.6640 0.0147 0.0322 -0.0239 299 SER C O +10734 C CB . SER C 281 ? 0.7199 0.6040 0.5926 0.0117 0.0365 -0.0221 299 SER C CB +10735 O OG . SER C 281 ? 0.7164 0.6075 0.5969 0.0108 0.0366 -0.0213 299 SER C OG +10736 N N . GLU C 282 ? 0.6909 0.5639 0.5518 0.0175 0.0386 -0.0258 300 GLU C N +10737 C CA . GLU C 282 ? 0.8047 0.6703 0.6576 0.0188 0.0384 -0.0270 300 GLU C CA +10738 C C . GLU C 282 ? 0.7407 0.6024 0.5925 0.0202 0.0351 -0.0275 300 GLU C C +10739 O O . GLU C 282 ? 0.7829 0.6379 0.6284 0.0199 0.0331 -0.0278 300 GLU C O +10740 C CB . GLU C 282 ? 0.7441 0.6100 0.5952 0.0211 0.0426 -0.0286 300 GLU C CB +10741 C CG . GLU C 282 ? 0.8763 0.7454 0.7276 0.0199 0.0465 -0.0283 300 GLU C CG +10742 C CD . GLU C 282 ? 0.9057 0.7835 0.7658 0.0202 0.0489 -0.0283 300 GLU C CD +10743 O OE1 . GLU C 282 ? 0.9401 0.8222 0.8064 0.0194 0.0467 -0.0273 300 GLU C OE1 +10744 O OE2 . GLU C 282 ? 0.8845 0.7651 0.7453 0.0211 0.0530 -0.0292 300 GLU C OE2 +10745 N N . PHE C 283 ? 0.7525 0.6181 0.6104 0.0219 0.0346 -0.0276 301 PHE C N +10746 C CA . PHE C 283 ? 0.7040 0.5659 0.5612 0.0235 0.0318 -0.0281 301 PHE C CA +10747 C C . PHE C 283 ? 0.8116 0.6743 0.6720 0.0215 0.0281 -0.0265 301 PHE C C +10748 O O . PHE C 283 ? 0.7882 0.6456 0.6453 0.0213 0.0252 -0.0265 301 PHE C O +10749 C CB . PHE C 283 ? 0.7535 0.6187 0.6149 0.0269 0.0334 -0.0293 301 PHE C CB +10750 C CG . PHE C 283 ? 0.8827 0.7480 0.7419 0.0291 0.0374 -0.0309 301 PHE C CG +10751 C CD1 . PHE C 283 ? 0.8420 0.7011 0.6932 0.0290 0.0383 -0.0317 301 PHE C CD1 +10752 C CD2 . PHE C 283 ? 0.7935 0.6653 0.6586 0.0313 0.0402 -0.0316 301 PHE C CD2 +10753 C CE1 . PHE C 283 ? 0.8527 0.7117 0.7016 0.0310 0.0421 -0.0331 301 PHE C CE1 +10754 C CE2 . PHE C 283 ? 0.8299 0.7021 0.6932 0.0333 0.0440 -0.0331 301 PHE C CE2 +10755 C CZ . PHE C 283 ? 0.8252 0.6908 0.6801 0.0332 0.0451 -0.0339 301 PHE C CZ +10756 N N . TYR C 284 ? 0.7291 0.5982 0.5958 0.0200 0.0282 -0.0253 302 TYR C N +10757 C CA . TYR C 284 ? 0.8035 0.6739 0.6737 0.0184 0.0249 -0.0239 302 TYR C CA +10758 C C . TYR C 284 ? 0.7504 0.6202 0.6192 0.0149 0.0233 -0.0224 302 TYR C C +10759 O O . TYR C 284 ? 0.7657 0.6359 0.6367 0.0135 0.0205 -0.0213 302 TYR C O +10760 C CB . TYR C 284 ? 0.6897 0.5677 0.5682 0.0192 0.0255 -0.0234 302 TYR C CB +10761 C CG . TYR C 284 ? 0.8018 0.6806 0.6825 0.0227 0.0260 -0.0247 302 TYR C CG +10762 C CD1 . TYR C 284 ? 0.7569 0.6333 0.6382 0.0238 0.0232 -0.0245 302 TYR C CD1 +10763 C CD2 . TYR C 284 ? 0.6947 0.5766 0.5769 0.0251 0.0294 -0.0261 302 TYR C CD2 +10764 C CE1 . TYR C 284 ? 0.6567 0.5335 0.5397 0.0273 0.0235 -0.0256 302 TYR C CE1 +10765 C CE2 . TYR C 284 ? 0.7483 0.6310 0.6325 0.0286 0.0298 -0.0273 302 TYR C CE2 +10766 C CZ . TYR C 284 ? 0.7912 0.6713 0.6758 0.0298 0.0268 -0.0270 302 TYR C CZ +10767 O OH . TYR C 284 ? 0.7594 0.6400 0.6457 0.0334 0.0270 -0.0281 302 TYR C OH +10768 N N A GLY C 285 ? 0.7416 0.6101 0.6065 0.0137 0.0250 -0.0225 303 GLY C N +10769 N N B GLY C 285 ? 0.7417 0.6104 0.6068 0.0137 0.0251 -0.0225 303 GLY C N +10770 C CA A GLY C 285 ? 0.7180 0.5866 0.5819 0.0107 0.0240 -0.0211 303 GLY C CA +10771 C CA B GLY C 285 ? 0.7179 0.5868 0.5821 0.0107 0.0240 -0.0211 303 GLY C CA +10772 C C A GLY C 285 ? 0.7464 0.6220 0.6163 0.0095 0.0257 -0.0201 303 GLY C C +10773 C C B GLY C 285 ? 0.7481 0.6238 0.6181 0.0095 0.0258 -0.0201 303 GLY C C +10774 O O A GLY C 285 ? 0.6860 0.5667 0.5616 0.0108 0.0270 -0.0204 303 GLY C O +10775 O O B GLY C 285 ? 0.6843 0.5652 0.5602 0.0108 0.0270 -0.0204 303 GLY C O +10776 N N A PRO C 286 ? 0.7167 0.5926 0.5853 0.0070 0.0257 -0.0190 304 PRO C N +10777 N N B PRO C 286 ? 0.7174 0.5934 0.5860 0.0071 0.0258 -0.0190 304 PRO C N +10778 C CA A PRO C 286 ? 0.6748 0.5568 0.5486 0.0057 0.0274 -0.0181 304 PRO C CA +10779 C CA B PRO C 286 ? 0.6738 0.5559 0.5477 0.0057 0.0274 -0.0181 304 PRO C CA +10780 C C A PRO C 286 ? 0.7193 0.6057 0.5997 0.0052 0.0253 -0.0172 304 PRO C C +10781 C C B PRO C 286 ? 0.7216 0.6080 0.6020 0.0052 0.0253 -0.0172 304 PRO C C +10782 O O A PRO C 286 ? 0.6625 0.5467 0.5428 0.0050 0.0222 -0.0167 304 PRO C O +10783 O O B PRO C 286 ? 0.6621 0.5462 0.5423 0.0050 0.0221 -0.0168 304 PRO C O +10784 C CB A PRO C 286 ? 0.7067 0.5863 0.5762 0.0032 0.0272 -0.0171 304 PRO C CB +10785 C CB B PRO C 286 ? 0.7070 0.5867 0.5767 0.0032 0.0271 -0.0171 304 PRO C CB +10786 C CG A PRO C 286 ? 0.6691 0.5430 0.5339 0.0028 0.0236 -0.0170 304 PRO C CG +10787 C CG B PRO C 286 ? 0.6688 0.5426 0.5335 0.0029 0.0237 -0.0170 304 PRO C CG +10788 C CD A PRO C 286 ? 0.7004 0.5710 0.5630 0.0053 0.0236 -0.0185 304 PRO C CD +10789 C CD B PRO C 286 ? 0.7008 0.5714 0.5632 0.0054 0.0239 -0.0186 304 PRO C CD +10790 N N A THR C 287 ? 0.6269 0.5197 0.5133 0.0048 0.0271 -0.0169 305 THR C N +10791 N N B THR C 287 ? 0.6253 0.5180 0.5117 0.0049 0.0271 -0.0169 305 THR C N +10792 C CA A THR C 287 ? 0.6418 0.5386 0.5340 0.0040 0.0251 -0.0158 305 THR C CA +10793 C CA B THR C 287 ? 0.6416 0.5385 0.5339 0.0040 0.0251 -0.0159 305 THR C CA +10794 C C A THR C 287 ? 0.6283 0.5240 0.5191 0.0011 0.0232 -0.0143 305 THR C C +10795 C C B THR C 287 ? 0.6275 0.5232 0.5184 0.0012 0.0232 -0.0143 305 THR C C +10796 O O A THR C 287 ? 0.6696 0.5623 0.5557 -0.0001 0.0239 -0.0140 305 THR C O +10797 O O B THR C 287 ? 0.6707 0.5634 0.5568 -0.0001 0.0239 -0.0140 305 THR C O +10798 C CB A THR C 287 ? 0.6673 0.5714 0.5665 0.0043 0.0274 -0.0161 305 THR C CB +10799 C CB B THR C 287 ? 0.6681 0.5722 0.5673 0.0044 0.0274 -0.0161 305 THR C CB +10800 O OG1 A THR C 287 ? 0.6605 0.5666 0.5598 0.0023 0.0297 -0.0155 305 THR C OG1 +10801 O OG1 B THR C 287 ? 0.6616 0.5676 0.5608 0.0022 0.0296 -0.0155 305 THR C OG1 +10802 C CG2 A THR C 287 ? 0.7082 0.6137 0.6087 0.0072 0.0296 -0.0177 305 THR C CG2 +10803 C CG2 B THR C 287 ? 0.7106 0.6159 0.6107 0.0072 0.0298 -0.0178 305 THR C CG2 +10804 N N A GLY C 288 ? 0.6813 0.5793 0.5762 0.0003 0.0208 -0.0133 306 GLY C N +10805 N N B GLY C 288 ? 0.6839 0.5820 0.5790 0.0003 0.0208 -0.0133 306 GLY C N +10806 C CA A GLY C 288 ? 0.5967 0.4945 0.4913 -0.0022 0.0191 -0.0118 306 GLY C CA +10807 C CA B GLY C 288 ? 0.5961 0.4942 0.4911 -0.0022 0.0191 -0.0118 306 GLY C CA +10808 C C A GLY C 288 ? 0.6692 0.5697 0.5645 -0.0039 0.0215 -0.0113 306 GLY C C +10809 C C B GLY C 288 ? 0.6698 0.5706 0.5654 -0.0038 0.0215 -0.0113 306 GLY C C +10810 O O A GLY C 288 ? 0.6314 0.5292 0.5226 -0.0055 0.0212 -0.0106 306 GLY C O +10811 O O B GLY C 288 ? 0.6312 0.5292 0.5228 -0.0055 0.0212 -0.0106 306 GLY C O +10812 N N A PRO C 289 ? 0.6696 0.5756 0.5701 -0.0036 0.0237 -0.0116 307 PRO C N +10813 N N B PRO C 289 ? 0.6711 0.5772 0.5717 -0.0035 0.0238 -0.0117 307 PRO C N +10814 C CA A PRO C 289 ? 0.6185 0.5266 0.5193 -0.0052 0.0265 -0.0113 307 PRO C CA +10815 C CA B PRO C 289 ? 0.6176 0.5258 0.5183 -0.0051 0.0266 -0.0114 307 PRO C CA +10816 C C A PRO C 289 ? 0.7283 0.6322 0.6226 -0.0051 0.0288 -0.0119 307 PRO C C +10817 C C B PRO C 289 ? 0.7307 0.6345 0.6250 -0.0050 0.0288 -0.0119 307 PRO C C +10818 O O A PRO C 289 ? 0.6898 0.5920 0.5809 -0.0068 0.0296 -0.0111 307 PRO C O +10819 O O B PRO C 289 ? 0.6912 0.5934 0.5823 -0.0068 0.0297 -0.0111 307 PRO C O +10820 C CB A PRO C 289 ? 0.6420 0.5564 0.5493 -0.0043 0.0287 -0.0121 307 PRO C CB +10821 C CB B PRO C 289 ? 0.6411 0.5557 0.5485 -0.0043 0.0288 -0.0121 307 PRO C CB +10822 C CG A PRO C 289 ? 0.6373 0.5538 0.5489 -0.0030 0.0260 -0.0121 307 PRO C CG +10823 C CG B PRO C 289 ? 0.6365 0.5531 0.5481 -0.0030 0.0261 -0.0122 307 PRO C CG +10824 C CD A PRO C 289 ? 0.6308 0.5412 0.5373 -0.0019 0.0236 -0.0122 307 PRO C CD +10825 C CD B PRO C 289 ? 0.6309 0.5417 0.5377 -0.0019 0.0238 -0.0123 307 PRO C CD +10826 N N A GLU C 290 ? 0.6669 0.5684 0.5587 -0.0029 0.0296 -0.0132 308 GLU C N +10827 N N B GLU C 290 ? 0.6673 0.5688 0.5591 -0.0028 0.0296 -0.0132 308 GLU C N +10828 C CA A GLU C 290 ? 0.6992 0.5966 0.5848 -0.0025 0.0319 -0.0139 308 GLU C CA +10829 C CA B GLU C 290 ? 0.7011 0.5985 0.5866 -0.0024 0.0319 -0.0139 308 GLU C CA +10830 C C A GLU C 290 ? 0.6573 0.5488 0.5361 -0.0036 0.0299 -0.0131 308 GLU C C +10831 C C B GLU C 290 ? 0.6570 0.5484 0.5358 -0.0036 0.0299 -0.0132 308 GLU C C +10832 O O A GLU C 290 ? 0.7004 0.5895 0.5748 -0.0047 0.0316 -0.0128 308 GLU C O +10833 O O B GLU C 290 ? 0.7017 0.5909 0.5762 -0.0047 0.0316 -0.0128 308 GLU C O +10834 C CB A GLU C 290 ? 0.6897 0.5857 0.5742 0.0003 0.0327 -0.0155 308 GLU C CB +10835 C CB B GLU C 290 ? 0.6895 0.5855 0.5739 0.0004 0.0327 -0.0155 308 GLU C CB +10836 C CG A GLU C 290 ? 0.6123 0.5041 0.4903 0.0010 0.0353 -0.0164 308 GLU C CG +10837 C CG B GLU C 290 ? 0.6100 0.5017 0.4879 0.0011 0.0353 -0.0164 308 GLU C CG +10838 C CD A GLU C 290 ? 0.7336 0.6260 0.6123 0.0038 0.0373 -0.0181 308 GLU C CD +10839 C CD B GLU C 290 ? 0.7343 0.6271 0.6134 0.0039 0.0374 -0.0181 308 GLU C CD +10840 O OE1 A GLU C 290 ? 0.7334 0.6267 0.6150 0.0055 0.0354 -0.0186 308 GLU C OE1 +10841 O OE1 B GLU C 290 ? 0.7350 0.6282 0.6165 0.0057 0.0355 -0.0187 308 GLU C OE1 +10842 O OE2 A GLU C 290 ? 0.7151 0.6072 0.5915 0.0044 0.0407 -0.0189 308 GLU C OE2 +10843 O OE2 B GLU C 290 ? 0.7140 0.6071 0.5913 0.0044 0.0410 -0.0189 308 GLU C OE2 +10844 N N A ALA C 291 ? 0.7178 0.6066 0.5956 -0.0034 0.0263 -0.0129 309 ALA C N +10845 N N B ALA C 291 ? 0.7197 0.6085 0.5974 -0.0034 0.0264 -0.0129 309 ALA C N +10846 C CA A ALA C 291 ? 0.7334 0.6168 0.6051 -0.0044 0.0242 -0.0124 309 ALA C CA +10847 C CA B ALA C 291 ? 0.7348 0.6181 0.6064 -0.0044 0.0242 -0.0124 309 ALA C CA +10848 C C A ALA C 291 ? 0.7300 0.6143 0.6017 -0.0067 0.0237 -0.0109 309 ALA C C +10849 C C B ALA C 291 ? 0.7307 0.6150 0.6025 -0.0067 0.0236 -0.0109 309 ALA C C +10850 O O A ALA C 291 ? 0.7189 0.5993 0.5849 -0.0075 0.0235 -0.0106 309 ALA C O +10851 O O B ALA C 291 ? 0.7207 0.6011 0.5868 -0.0075 0.0235 -0.0106 309 ALA C O +10852 C CB A ALA C 291 ? 0.6722 0.5532 0.5437 -0.0039 0.0205 -0.0125 309 ALA C CB +10853 C CB B ALA C 291 ? 0.6716 0.5526 0.5430 -0.0038 0.0206 -0.0126 309 ALA C CB +10854 N N A SER C 292 ? 0.7102 0.5995 0.5881 -0.0077 0.0234 -0.0101 310 SER C N +10855 N N B SER C 292 ? 0.7120 0.6013 0.5900 -0.0077 0.0233 -0.0101 310 SER C N +10856 C CA A SER C 292 ? 0.6660 0.5564 0.5444 -0.0098 0.0229 -0.0087 310 SER C CA +10857 C CA B SER C 292 ? 0.6657 0.5560 0.5442 -0.0098 0.0227 -0.0087 310 SER C CA +10858 C C A SER C 292 ? 0.6884 0.5786 0.5643 -0.0106 0.0264 -0.0086 310 SER C C +10859 C C B SER C 292 ? 0.6886 0.5789 0.5647 -0.0106 0.0262 -0.0085 310 SER C C +10860 O O A SER C 292 ? 0.6756 0.5631 0.5474 -0.0119 0.0262 -0.0077 310 SER C O +10861 O O B SER C 292 ? 0.6784 0.5661 0.5507 -0.0120 0.0259 -0.0076 310 SER C O +10862 C CB A SER C 292 ? 0.6796 0.5752 0.5652 -0.0105 0.0218 -0.0080 310 SER C CB +10863 C CB B SER C 292 ? 0.6790 0.5747 0.5648 -0.0105 0.0217 -0.0080 310 SER C CB +10864 O OG A SER C 292 ? 0.6097 0.5067 0.4962 -0.0125 0.0218 -0.0067 310 SER C OG +10865 O OG B SER C 292 ? 0.6097 0.5066 0.4962 -0.0125 0.0215 -0.0067 310 SER C OG +10866 N N A GLN C 293 ? 0.6302 0.5234 0.5087 -0.0099 0.0297 -0.0094 311 GLN C N +10867 N N B GLN C 293 ? 0.6280 0.5211 0.5064 -0.0098 0.0295 -0.0094 311 GLN C N +10868 C CA A GLN C 293 ? 0.6334 0.5262 0.5092 -0.0106 0.0334 -0.0095 311 GLN C CA +10869 C CA B GLN C 293 ? 0.6338 0.5265 0.5096 -0.0106 0.0331 -0.0094 311 GLN C CA +10870 C C A GLN C 293 ? 0.7194 0.6057 0.5867 -0.0100 0.0338 -0.0098 311 GLN C C +10871 C C B GLN C 293 ? 0.7206 0.6068 0.5879 -0.0101 0.0336 -0.0098 311 GLN C C +10872 O O A GLN C 293 ? 0.6951 0.5787 0.5578 -0.0111 0.0354 -0.0092 311 GLN C O +10873 O O B GLN C 293 ? 0.6963 0.5799 0.5591 -0.0112 0.0349 -0.0091 311 GLN C O +10874 C CB A GLN C 293 ? 0.6420 0.5395 0.5226 -0.0097 0.0368 -0.0106 311 GLN C CB +10875 C CB B GLN C 293 ? 0.6419 0.5392 0.5223 -0.0098 0.0366 -0.0105 311 GLN C CB +10876 C CG A GLN C 293 ? 0.6510 0.5551 0.5399 -0.0105 0.0364 -0.0102 311 GLN C CG +10877 C CG B GLN C 293 ? 0.6497 0.5537 0.5386 -0.0104 0.0363 -0.0102 311 GLN C CG +10878 C CD A GLN C 293 ? 0.7135 0.6201 0.6041 -0.0127 0.0388 -0.0094 311 GLN C CD +10879 C CD B GLN C 293 ? 0.7151 0.6217 0.6058 -0.0127 0.0387 -0.0094 311 GLN C CD +10880 O OE1 A GLN C 293 ? 0.6902 0.5983 0.5810 -0.0129 0.0426 -0.0101 311 GLN C OE1 +10881 O OE1 B GLN C 293 ? 0.6910 0.5991 0.5819 -0.0130 0.0424 -0.0100 311 GLN C OE1 +10882 N NE2 A GLN C 293 ? 0.6584 0.5651 0.5497 -0.0145 0.0368 -0.0081 311 GLN C NE2 +10883 N NE2 B GLN C 293 ? 0.6609 0.5679 0.5528 -0.0144 0.0366 -0.0081 311 GLN C NE2 +10884 N N A ALA C 294 ? 0.7434 0.6268 0.6082 -0.0082 0.0324 -0.0108 312 ALA C N +10885 N N B ALA C 294 ? 0.7456 0.6290 0.6104 -0.0082 0.0323 -0.0108 312 ALA C N +10886 C CA A ALA C 294 ? 0.6988 0.5759 0.5554 -0.0075 0.0326 -0.0114 312 ALA C CA +10887 C CA B ALA C 294 ? 0.6990 0.5761 0.5556 -0.0075 0.0326 -0.0114 312 ALA C CA +10888 C C A ALA C 294 ? 0.6660 0.5391 0.5177 -0.0088 0.0299 -0.0103 312 ALA C C +10889 C C B ALA C 294 ? 0.6649 0.5379 0.5166 -0.0088 0.0299 -0.0103 312 ALA C C +10890 O O A ALA C 294 ? 0.7328 0.6011 0.5775 -0.0088 0.0307 -0.0104 312 ALA C O +10891 O O B ALA C 294 ? 0.7345 0.6028 0.5792 -0.0088 0.0307 -0.0103 312 ALA C O +10892 C CB A ALA C 294 ? 0.6107 0.4857 0.4662 -0.0054 0.0313 -0.0128 312 ALA C CB +10893 C CB B ALA C 294 ? 0.6079 0.4829 0.4634 -0.0054 0.0313 -0.0128 312 ALA C CB +10894 N N A GLN C 295 ? 0.6778 0.5525 0.5329 -0.0098 0.0267 -0.0094 313 GLN C N +10895 N N B GLN C 295 ? 0.6778 0.5524 0.5327 -0.0097 0.0266 -0.0094 313 GLN C N +10896 C CA A GLN C 295 ? 0.6881 0.5595 0.5391 -0.0109 0.0241 -0.0084 313 GLN C CA +10897 C CA B GLN C 295 ? 0.6880 0.5593 0.5388 -0.0109 0.0241 -0.0084 313 GLN C CA +10898 C C A GLN C 295 ? 0.7246 0.5959 0.5737 -0.0123 0.0263 -0.0073 313 GLN C C +10899 C C B GLN C 295 ? 0.7263 0.5977 0.5754 -0.0123 0.0263 -0.0073 313 GLN C C +10900 O O A GLN C 295 ? 0.7178 0.5845 0.5602 -0.0126 0.0260 -0.0070 313 GLN C O +10901 O O B GLN C 295 ? 0.7181 0.5849 0.5606 -0.0126 0.0260 -0.0069 313 GLN C O +10902 C CB A GLN C 295 ? 0.6502 0.5239 0.5057 -0.0117 0.0205 -0.0076 313 GLN C CB +10903 C CB B GLN C 295 ? 0.6510 0.5244 0.5061 -0.0116 0.0204 -0.0076 313 GLN C CB +10904 C CG A GLN C 295 ? 0.6467 0.5178 0.4986 -0.0129 0.0181 -0.0065 313 GLN C CG +10905 C CG B GLN C 295 ? 0.6457 0.5164 0.4972 -0.0128 0.0179 -0.0066 313 GLN C CG +10906 C CD A GLN C 295 ? 0.7368 0.6094 0.5922 -0.0135 0.0143 -0.0059 313 GLN C CD +10907 C CD B GLN C 295 ? 0.7388 0.6113 0.5941 -0.0135 0.0142 -0.0059 313 GLN C CD +10908 O OE1 A GLN C 295 ? 0.6493 0.5186 0.5011 -0.0136 0.0115 -0.0059 313 GLN C OE1 +10909 O OE1 B GLN C 295 ? 0.6480 0.5175 0.5001 -0.0136 0.0114 -0.0059 313 GLN C OE1 +10910 N NE2 A GLN C 295 ? 0.6264 0.5039 0.4887 -0.0140 0.0141 -0.0054 313 GLN C NE2 +10911 N NE2 B GLN C 295 ? 0.6253 0.5028 0.4875 -0.0140 0.0143 -0.0054 313 GLN C NE2 +10912 N N A ALA C 296 ? 0.6704 0.5466 0.5252 -0.0133 0.0283 -0.0068 314 ALA C N +10913 N N B ALA C 296 ? 0.6697 0.5459 0.5245 -0.0132 0.0283 -0.0068 314 ALA C N +10914 C CA A ALA C 296 ? 0.7203 0.5963 0.5734 -0.0148 0.0306 -0.0058 314 ALA C CA +10915 C CA B ALA C 296 ? 0.7219 0.5980 0.5751 -0.0147 0.0307 -0.0058 314 ALA C CA +10916 C C A ALA C 296 ? 0.6835 0.5555 0.5300 -0.0143 0.0339 -0.0064 314 ALA C C +10917 C C B ALA C 296 ? 0.6816 0.5538 0.5284 -0.0142 0.0340 -0.0064 314 ALA C C +10918 O O A ALA C 296 ? 0.7738 0.6419 0.6144 -0.0150 0.0344 -0.0056 314 ALA C O +10919 O O B ALA C 296 ? 0.7773 0.6456 0.6183 -0.0150 0.0345 -0.0056 314 ALA C O +10920 C CB A ALA C 296 ? 0.5806 0.4627 0.4412 -0.0159 0.0325 -0.0055 314 ALA C CB +10921 C CB B ALA C 296 ? 0.5803 0.4626 0.4411 -0.0158 0.0326 -0.0056 314 ALA C CB +10922 N N A MET C 297 ? 0.7177 0.5907 0.5650 -0.0129 0.0361 -0.0077 315 MET C N +10923 N N B MET C 297 ? 0.7185 0.5915 0.5659 -0.0128 0.0361 -0.0078 315 MET C N +10924 C CA A MET C 297 ? 0.6990 0.5683 0.5402 -0.0122 0.0394 -0.0084 315 MET C CA +10925 C CA B MET C 297 ? 0.6976 0.5670 0.5389 -0.0121 0.0394 -0.0084 315 MET C CA +10926 C C A MET C 297 ? 0.7278 0.5902 0.5602 -0.0115 0.0375 -0.0084 315 MET C C +10927 C C B MET C 297 ? 0.7274 0.5898 0.5598 -0.0114 0.0375 -0.0085 315 MET C C +10928 O O A MET C 297 ? 0.7820 0.6403 0.6079 -0.0118 0.0394 -0.0081 315 MET C O +10929 O O B MET C 297 ? 0.7837 0.6420 0.6095 -0.0118 0.0394 -0.0081 315 MET C O +10930 C CB A MET C 297 ? 0.7588 0.6306 0.6030 -0.0105 0.0416 -0.0099 315 MET C CB +10931 C CB B MET C 297 ? 0.7585 0.6302 0.6025 -0.0105 0.0416 -0.0100 315 MET C CB +10932 C CG A MET C 297 ? 0.9347 0.8023 0.7721 -0.0094 0.0446 -0.0109 315 MET C CG +10933 C CG B MET C 297 ? 0.9387 0.8061 0.7759 -0.0093 0.0446 -0.0109 315 MET C CG +10934 S SD A MET C 297 ? 0.9196 0.7911 0.7599 -0.0099 0.0505 -0.0113 315 MET C SD +10935 S SD B MET C 297 ? 0.9249 0.7965 0.7653 -0.0098 0.0505 -0.0114 315 MET C SD +10936 C CE A MET C 297 ? 0.9096 0.7794 0.7471 -0.0125 0.0513 -0.0095 315 MET C CE +10937 C CE B MET C 297 ? 0.9122 0.7819 0.7494 -0.0124 0.0516 -0.0096 315 MET C CE +10938 N N A THR C 298 ? 0.7191 0.5801 0.5513 -0.0106 0.0337 -0.0089 316 THR C N +10939 N N B THR C 298 ? 0.7196 0.5806 0.5518 -0.0105 0.0336 -0.0089 316 THR C N +10940 C CA A THR C 298 ? 0.6970 0.5517 0.5212 -0.0099 0.0314 -0.0091 316 THR C CA +10941 C CA B THR C 298 ? 0.6964 0.5511 0.5206 -0.0098 0.0314 -0.0092 316 THR C CA +10942 C C A THR C 298 ? 0.7322 0.5842 0.5522 -0.0111 0.0303 -0.0077 316 THR C C +10943 C C B THR C 298 ? 0.7323 0.5843 0.5523 -0.0111 0.0302 -0.0078 316 THR C C +10944 O O A THR C 298 ? 0.7454 0.5920 0.5574 -0.0107 0.0309 -0.0078 316 THR C O +10945 O O B THR C 298 ? 0.7463 0.5930 0.5584 -0.0107 0.0308 -0.0078 316 THR C O +10946 C CB A THR C 298 ? 0.7135 0.5681 0.5396 -0.0091 0.0272 -0.0098 316 THR C CB +10947 C CB B THR C 298 ? 0.7146 0.5691 0.5405 -0.0091 0.0273 -0.0098 316 THR C CB +10948 O OG1 A THR C 298 ? 0.6427 0.4985 0.4710 -0.0076 0.0284 -0.0111 316 THR C OG1 +10949 O OG1 B THR C 298 ? 0.6415 0.4974 0.4700 -0.0076 0.0285 -0.0112 316 THR C OG1 +10950 C CG2 A THR C 298 ? 0.6382 0.4868 0.4568 -0.0087 0.0242 -0.0100 316 THR C CG2 +10951 C CG2 B THR C 298 ? 0.6349 0.4833 0.4532 -0.0086 0.0245 -0.0101 316 THR C CG2 +10952 N N A PHE C 299 ? 0.7392 0.5944 0.5639 -0.0125 0.0287 -0.0065 317 PHE C N +10953 N N B PHE C 299 ? 0.7392 0.5945 0.5640 -0.0125 0.0287 -0.0065 317 PHE C N +10954 C CA A PHE C 299 ? 0.8032 0.6556 0.6238 -0.0135 0.0272 -0.0052 317 PHE C CA +10955 C CA B PHE C 299 ? 0.8056 0.6580 0.6262 -0.0135 0.0272 -0.0053 317 PHE C CA +10956 C C A PHE C 299 ? 0.7617 0.6132 0.5798 -0.0145 0.0310 -0.0044 317 PHE C C +10957 C C B PHE C 299 ? 0.7624 0.6140 0.5806 -0.0145 0.0310 -0.0044 317 PHE C C +10958 O O A PHE C 299 ? 0.7250 0.5720 0.5364 -0.0147 0.0307 -0.0036 317 PHE C O +10959 O O B PHE C 299 ? 0.7243 0.5712 0.5357 -0.0146 0.0307 -0.0037 317 PHE C O +10960 C CB A PHE C 299 ? 0.6902 0.5459 0.5162 -0.0144 0.0237 -0.0044 317 PHE C CB +10961 C CB B PHE C 299 ? 0.6891 0.5448 0.5152 -0.0144 0.0237 -0.0044 317 PHE C CB +10962 C CG A PHE C 299 ? 0.7009 0.5554 0.5265 -0.0136 0.0197 -0.0050 317 PHE C CG +10963 C CG B PHE C 299 ? 0.7004 0.5548 0.5260 -0.0136 0.0196 -0.0050 317 PHE C CG +10964 C CD1 A PHE C 299 ? 0.7586 0.6085 0.5779 -0.0133 0.0170 -0.0049 317 PHE C CD1 +10965 C CD1 B PHE C 299 ? 0.7583 0.6084 0.5779 -0.0133 0.0168 -0.0048 317 PHE C CD1 +10966 C CD2 A PHE C 299 ? 0.7150 0.5722 0.5456 -0.0130 0.0188 -0.0059 317 PHE C CD2 +10967 C CD2 B PHE C 299 ? 0.7155 0.5726 0.5460 -0.0129 0.0187 -0.0060 317 PHE C CD2 +10968 C CE1 A PHE C 299 ? 0.7516 0.6003 0.5704 -0.0126 0.0133 -0.0057 317 PHE C CE1 +10969 C CE1 B PHE C 299 ? 0.7551 0.6039 0.5742 -0.0128 0.0131 -0.0056 317 PHE C CE1 +10970 C CE2 A PHE C 299 ? 0.7637 0.6193 0.5935 -0.0124 0.0153 -0.0067 317 PHE C CE2 +10971 C CE2 B PHE C 299 ? 0.7652 0.6208 0.5949 -0.0124 0.0151 -0.0066 317 PHE C CE2 +10972 C CZ A PHE C 299 ? 0.7244 0.5758 0.5484 -0.0123 0.0126 -0.0066 317 PHE C CZ +10973 C CZ B PHE C 299 ? 0.7255 0.5770 0.5496 -0.0124 0.0124 -0.0065 317 PHE C CZ +10974 N N . LEU C 300 ? 0.7153 0.5711 0.5385 -0.0151 0.0345 -0.0045 318 LEU C N +10975 C CA . LEU C 300 ? 0.7877 0.6422 0.6080 -0.0160 0.0387 -0.0040 318 LEU C CA +10976 C C . LEU C 300 ? 0.8606 0.7091 0.6719 -0.0149 0.0405 -0.0046 318 LEU C C +10977 O O . LEU C 300 ? 0.8667 0.7107 0.6714 -0.0154 0.0418 -0.0037 318 LEU C O +10978 C CB . LEU C 300 ? 0.7163 0.5768 0.5439 -0.0167 0.0422 -0.0045 318 LEU C CB +10979 C CG . LEU C 300 ? 0.9033 0.7637 0.7296 -0.0181 0.0469 -0.0040 318 LEU C CG +10980 C CD1 . LEU C 300 ? 0.7459 0.6134 0.5814 -0.0195 0.0488 -0.0040 318 LEU C CD1 +10981 C CD2 . LEU C 300 ? 0.8895 0.7466 0.7102 -0.0171 0.0505 -0.0050 318 LEU C CD2 +10982 N N . ILE C 301 ? 0.7749 0.6228 0.5854 -0.0132 0.0406 -0.0061 319 ILE C N +10983 C CA . ILE C 301 ? 0.7352 0.5773 0.5371 -0.0120 0.0422 -0.0068 319 ILE C CA +10984 C C . ILE C 301 ? 0.7720 0.6080 0.5660 -0.0116 0.0388 -0.0063 319 ILE C C +10985 O O . ILE C 301 ? 0.7790 0.6096 0.5649 -0.0114 0.0404 -0.0060 319 ILE C O +10986 C CB . ILE C 301 ? 0.7730 0.6158 0.5761 -0.0102 0.0425 -0.0086 319 ILE C CB +10987 C CG1 . ILE C 301 ? 0.7545 0.6028 0.5642 -0.0103 0.0466 -0.0092 319 ILE C CG1 +10988 C CG2 . ILE C 301 ? 0.7388 0.5748 0.5321 -0.0087 0.0432 -0.0095 319 ILE C CG2 +10989 C CD1 . ILE C 301 ? 0.7284 0.5780 0.5402 -0.0084 0.0467 -0.0110 319 ILE C CD1 +10990 N N . ARG C 302 ? 0.8083 0.6450 0.6045 -0.0113 0.0342 -0.0064 320 ARG C N +10991 C CA . ARG C 302 ? 0.8166 0.6481 0.6060 -0.0108 0.0307 -0.0060 320 ARG C CA +10992 C C . ARG C 302 ? 0.8269 0.6562 0.6127 -0.0119 0.0312 -0.0044 320 ARG C C +10993 O O . ARG C 302 ? 0.8743 0.6978 0.6515 -0.0113 0.0312 -0.0042 320 ARG C O +10994 C CB . ARG C 302 ? 0.6909 0.5244 0.4843 -0.0107 0.0257 -0.0063 320 ARG C CB +10995 C CG . ARG C 302 ? 0.8006 0.6291 0.5872 -0.0102 0.0220 -0.0062 320 ARG C CG +10996 C CD . ARG C 302 ? 0.7253 0.5563 0.5164 -0.0106 0.0173 -0.0060 320 ARG C CD +10997 N NE . ARG C 302 ? 0.7895 0.6234 0.5844 -0.0119 0.0170 -0.0044 320 ARG C NE +10998 C CZ . ARG C 302 ? 0.8717 0.7071 0.6691 -0.0123 0.0132 -0.0038 320 ARG C CZ +10999 N NH1 . ARG C 302 ? 0.8643 0.6989 0.6612 -0.0117 0.0094 -0.0047 320 ARG C NH1 +11000 N NH2 . ARG C 302 ? 0.7765 0.6144 0.5772 -0.0134 0.0133 -0.0024 320 ARG C NH2 +11001 N N . ASP C 303 ? 0.8090 0.6428 0.6011 -0.0134 0.0315 -0.0033 321 ASP C N +11002 C CA . ASP C 303 ? 0.7345 0.5662 0.5236 -0.0145 0.0315 -0.0017 321 ASP C CA +11003 C C . ASP C 303 ? 0.7325 0.5608 0.5161 -0.0149 0.0362 -0.0012 321 ASP C C +11004 O O . ASP C 303 ? 0.7851 0.6084 0.5616 -0.0150 0.0362 -0.0002 321 ASP C O +11005 C CB . ASP C 303 ? 0.6999 0.5371 0.4973 -0.0159 0.0305 -0.0007 321 ASP C CB +11006 C CG . ASP C 303 ? 0.8297 0.6694 0.6313 -0.0156 0.0256 -0.0009 321 ASP C CG +11007 O OD1 . ASP C 303 ? 0.7942 0.6314 0.5926 -0.0143 0.0229 -0.0019 321 ASP C OD1 +11008 O OD2 . ASP C 303 ? 0.7853 0.6293 0.5934 -0.0166 0.0245 -0.0002 321 ASP C OD2 +11009 N N . GLN C 304 ? 0.8186 0.6497 0.6055 -0.0153 0.0403 -0.0019 322 GLN C N +11010 C CA . GLN C 304 ? 0.7979 0.6259 0.5796 -0.0158 0.0451 -0.0015 322 GLN C CA +11011 C C . GLN C 304 ? 0.8928 0.7134 0.6638 -0.0143 0.0451 -0.0020 322 GLN C C +11012 O O . GLN C 304 ? 0.7968 0.6123 0.5605 -0.0146 0.0473 -0.0011 322 GLN C O +11013 C CB . GLN C 304 ? 0.8131 0.6461 0.6009 -0.0164 0.0493 -0.0024 322 GLN C CB +11014 C CG . GLN C 304 ? 0.8531 0.6833 0.6361 -0.0171 0.0547 -0.0022 322 GLN C CG +11015 C CD . GLN C 304 ? 0.8286 0.6650 0.6191 -0.0180 0.0589 -0.0030 322 GLN C CD +11016 O OE1 . GLN C 304 ? 0.9015 0.7404 0.6953 -0.0200 0.0616 -0.0022 322 GLN C OE1 +11017 N NE2 . GLN C 304 ? 0.8126 0.6512 0.6056 -0.0165 0.0594 -0.0046 322 GLN C NE2 +11018 N N . LYS C 305 ? 0.8716 0.6912 0.6414 -0.0125 0.0427 -0.0034 323 LYS C N +11019 C CA . LYS C 305 ? 0.9067 0.7193 0.6663 -0.0110 0.0422 -0.0039 323 LYS C CA +11020 C C . LYS C 305 ? 0.8499 0.6577 0.6031 -0.0108 0.0389 -0.0028 323 LYS C C +11021 O O . LYS C 305 ? 0.9427 0.7440 0.6863 -0.0099 0.0394 -0.0027 323 LYS C O +11022 C CB . LYS C 305 ? 0.7676 0.5802 0.5274 -0.0093 0.0396 -0.0057 323 LYS C CB +11023 C CG . LYS C 305 ? 0.9973 0.8115 0.7588 -0.0085 0.0431 -0.0072 323 LYS C CG +11024 C CD . LYS C 305 ? 0.8941 0.7081 0.6563 -0.0069 0.0398 -0.0088 323 LYS C CD +11025 C CE . LYS C 305 ? 0.9345 0.7503 0.6989 -0.0059 0.0428 -0.0103 323 LYS C CE +11026 N NZ . LYS C 305 ? 0.9327 0.7486 0.6986 -0.0045 0.0392 -0.0118 323 LYS C NZ +11027 N N . LEU C 306 ? 0.8579 0.6688 0.6161 -0.0115 0.0354 -0.0020 324 LEU C N +11028 C CA . LEU C 306 ? 0.8594 0.6661 0.6120 -0.0112 0.0322 -0.0009 324 LEU C CA +11029 C C . LEU C 306 ? 0.9009 0.7056 0.6508 -0.0124 0.0349 0.0008 324 LEU C C +11030 O O . LEU C 306 ? 0.8126 0.6134 0.5572 -0.0121 0.0327 0.0018 324 LEU C O +11031 C CB . LEU C 306 ? 0.8933 0.7039 0.6521 -0.0113 0.0271 -0.0009 324 LEU C CB +11032 C CG . LEU C 306 ? 0.9068 0.7182 0.6668 -0.0101 0.0236 -0.0025 324 LEU C CG +11033 C CD1 . LEU C 306 ? 0.9013 0.7177 0.6690 -0.0106 0.0195 -0.0024 324 LEU C CD1 +11034 C CD2 . LEU C 306 ? 0.8228 0.6277 0.5732 -0.0085 0.0213 -0.0031 324 LEU C CD2 +11035 N N . GLY C 307 ? 0.8495 0.6567 0.6028 -0.0139 0.0397 0.0011 325 GLY C N +11036 C CA . GLY C 307 ? 0.8252 0.6302 0.5757 -0.0153 0.0429 0.0026 325 GLY C CA +11037 C C . GLY C 307 ? 0.9199 0.7304 0.6790 -0.0173 0.0434 0.0035 325 GLY C C +11038 O O . GLY C 307 ? 0.9448 0.7531 0.7013 -0.0185 0.0453 0.0049 325 GLY C O +11039 N N . ALA C 308 ? 0.8503 0.6677 0.6190 -0.0176 0.0417 0.0029 326 ALA C N +11040 C CA . ALA C 308 ? 0.8554 0.6780 0.6320 -0.0195 0.0420 0.0037 326 ALA C CA +11041 C C . ALA C 308 ? 0.8466 0.6722 0.6270 -0.0211 0.0474 0.0036 326 ALA C C +11042 O O . ALA C 308 ? 0.7810 0.6079 0.5622 -0.0206 0.0499 0.0024 326 ALA C O +11043 C CB . ALA C 308 ? 0.7889 0.6176 0.5743 -0.0192 0.0383 0.0031 326 ALA C CB +11044 N N . ASN C 309 ? 0.7682 0.5948 0.5508 -0.0231 0.0491 0.0048 327 ASN C N +11045 C CA . ASN C 309 ? 0.8387 0.6696 0.6269 -0.0250 0.0536 0.0046 327 ASN C CA +11046 C C . ASN C 309 ? 0.8117 0.6506 0.6110 -0.0255 0.0517 0.0040 327 ASN C C +11047 O O . ASN C 309 ? 0.8284 0.6695 0.6317 -0.0265 0.0499 0.0049 327 ASN C O +11048 C CB . ASN C 309 ? 0.8263 0.6543 0.6114 -0.0270 0.0564 0.0061 327 ASN C CB +11049 C CG . ASN C 309 ? 0.9442 0.7638 0.7177 -0.0265 0.0587 0.0067 327 ASN C CG +11050 O OD1 . ASN C 309 ? 1.0030 0.8202 0.7721 -0.0252 0.0602 0.0058 327 ASN C OD1 +11051 N ND2 . ASN C 309 ? 1.0612 0.8760 0.8296 -0.0275 0.0591 0.0082 327 ASN C ND2 +11052 N N . VAL C 310 ? 0.8154 0.6585 0.6194 -0.0246 0.0521 0.0026 328 VAL C N +11053 C CA . VAL C 310 ? 0.7581 0.6080 0.5716 -0.0246 0.0497 0.0020 328 VAL C CA +11054 C C . VAL C 310 ? 0.8827 0.7381 0.7038 -0.0268 0.0522 0.0023 328 VAL C C +11055 O O . VAL C 310 ? 0.8073 0.6675 0.6355 -0.0272 0.0498 0.0024 328 VAL C O +11056 C CB . VAL C 310 ? 0.8777 0.7297 0.6934 -0.0228 0.0493 0.0003 328 VAL C CB +11057 C CG1 . VAL C 310 ? 0.7064 0.5530 0.5149 -0.0208 0.0461 0.0001 328 VAL C CG1 +11058 C CG2 . VAL C 310 ? 0.7610 0.6138 0.5764 -0.0229 0.0543 -0.0006 328 VAL C CG2 +11059 N N . GLY C 311 ? 0.8195 0.6742 0.6390 -0.0282 0.0569 0.0024 329 GLY C N +11060 C CA . GLY C 311 ? 0.7238 0.5837 0.5505 -0.0305 0.0594 0.0025 329 GLY C CA +11061 C C . GLY C 311 ? 0.7808 0.6402 0.6083 -0.0320 0.0575 0.0040 329 GLY C C +11062 O O . GLY C 311 ? 0.7709 0.6358 0.6062 -0.0334 0.0573 0.0039 329 GLY C O +11063 N N . SER C 312 ? 0.7447 0.5974 0.5642 -0.0317 0.0559 0.0052 330 SER C N +11064 C CA . SER C 312 ? 0.7966 0.6477 0.6156 -0.0330 0.0545 0.0066 330 SER C CA +11065 C C . SER C 312 ? 0.8012 0.6511 0.6194 -0.0315 0.0491 0.0071 330 SER C C +11066 O O . SER C 312 ? 0.7636 0.6113 0.5800 -0.0322 0.0476 0.0084 330 SER C O +11067 C CB . SER C 312 ? 0.7827 0.6270 0.5931 -0.0341 0.0575 0.0078 330 SER C CB +11068 O OG . SER C 312 ? 0.8693 0.7073 0.6707 -0.0322 0.0571 0.0078 330 SER C OG +11069 N N . ALA C 313 ? 0.6732 0.5245 0.4924 -0.0295 0.0463 0.0062 331 ALA C N +11070 C CA . ALA C 313 ? 0.7801 0.6308 0.5992 -0.0281 0.0412 0.0065 331 ALA C CA +11071 C C . ALA C 313 ? 0.7565 0.6136 0.5847 -0.0290 0.0392 0.0066 331 ALA C C +11072 O O . ALA C 313 ? 0.7625 0.6251 0.5977 -0.0290 0.0394 0.0056 331 ALA C O +11073 C CB . ALA C 313 ? 0.6674 0.5174 0.4846 -0.0260 0.0390 0.0055 331 ALA C CB +11074 N N . GLN C 314 ? 0.7624 0.6183 0.5901 -0.0297 0.0374 0.0078 332 GLN C N +11075 C CA . GLN C 314 ? 0.7552 0.6162 0.5905 -0.0305 0.0353 0.0080 332 GLN C CA +11076 C C . GLN C 314 ? 0.7229 0.5850 0.5597 -0.0288 0.0306 0.0078 332 GLN C C +11077 O O . GLN C 314 ? 0.7486 0.6064 0.5797 -0.0276 0.0282 0.0083 332 GLN C O +11078 C CB . GLN C 314 ? 0.7395 0.5981 0.5729 -0.0319 0.0358 0.0094 332 GLN C CB +11079 C CG . GLN C 314 ? 0.7299 0.5928 0.5699 -0.0327 0.0335 0.0098 332 GLN C CG +11080 C CD . GLN C 314 ? 0.7772 0.6361 0.6133 -0.0335 0.0331 0.0112 332 GLN C CD +11081 O OE1 . GLN C 314 ? 0.8201 0.6730 0.6485 -0.0335 0.0346 0.0119 332 GLN C OE1 +11082 N NE2 . GLN C 314 ? 0.7603 0.6222 0.6012 -0.0340 0.0311 0.0116 332 GLN C NE2 +11083 N N A GLY C 315 ? 0.6769 0.5448 0.5213 -0.0286 0.0293 0.0070 333 GLY C N +11084 N N B GLY C 315 ? 0.6771 0.5450 0.5214 -0.0286 0.0294 0.0070 333 GLY C N +11085 C CA A GLY C 315 ? 0.6933 0.5626 0.5396 -0.0272 0.0251 0.0067 333 GLY C CA +11086 C CA B GLY C 315 ? 0.6931 0.5624 0.5396 -0.0273 0.0252 0.0068 333 GLY C CA +11087 C C A GLY C 315 ? 0.7522 0.6228 0.6012 -0.0278 0.0226 0.0077 333 GLY C C +11088 C C B GLY C 315 ? 0.7530 0.6237 0.6021 -0.0278 0.0226 0.0077 333 GLY C C +11089 O O A GLY C 315 ? 0.7290 0.5994 0.5783 -0.0292 0.0240 0.0085 333 GLY C O +11090 O O B GLY C 315 ? 0.7292 0.5997 0.5787 -0.0292 0.0240 0.0086 333 GLY C O +11091 N N A PRO C 316 ? 0.7660 0.6377 0.6167 -0.0267 0.0188 0.0076 334 PRO C N +11092 N N B PRO C 316 ? 0.7670 0.6389 0.6179 -0.0267 0.0188 0.0076 334 PRO C N +11093 C CA A PRO C 316 ? 0.6855 0.5580 0.5378 -0.0270 0.0161 0.0085 334 PRO C CA +11094 C CA B PRO C 316 ? 0.6839 0.5566 0.5365 -0.0270 0.0162 0.0085 334 PRO C CA +11095 C C A PRO C 316 ? 0.7009 0.5778 0.5597 -0.0284 0.0170 0.0088 334 PRO C C +11096 C C B PRO C 316 ? 0.7016 0.5788 0.5608 -0.0284 0.0170 0.0088 334 PRO C C +11097 O O A PRO C 316 ? 0.6756 0.5519 0.5343 -0.0290 0.0162 0.0098 334 PRO C O +11098 O O B PRO C 316 ? 0.6725 0.5492 0.5317 -0.0290 0.0160 0.0097 334 PRO C O +11099 C CB A PRO C 316 ? 0.7492 0.6229 0.6030 -0.0256 0.0124 0.0080 334 PRO C CB +11100 C CB B PRO C 316 ? 0.7500 0.6238 0.6040 -0.0256 0.0124 0.0080 334 PRO C CB +11101 C CG A PRO C 316 ? 0.7592 0.6306 0.6093 -0.0245 0.0127 0.0071 334 PRO C CG +11102 C CG B PRO C 316 ? 0.7609 0.6324 0.6111 -0.0246 0.0129 0.0071 334 PRO C CG +11103 C CD A PRO C 316 ? 0.7128 0.5847 0.5633 -0.0252 0.0168 0.0066 334 PRO C CD +11104 C CD B PRO C 316 ? 0.7120 0.5842 0.5629 -0.0253 0.0169 0.0066 334 PRO C CD +11105 N N A THR C 317 ? 0.7073 0.5886 0.5717 -0.0289 0.0185 0.0080 335 THR C N +11106 N N B THR C 317 ? 0.7070 0.5884 0.5716 -0.0290 0.0187 0.0080 335 THR C N +11107 C CA A THR C 317 ? 0.6660 0.5519 0.5370 -0.0303 0.0192 0.0081 335 THR C CA +11108 C CA B THR C 317 ? 0.6656 0.5515 0.5367 -0.0303 0.0193 0.0081 335 THR C CA +11109 C C A THR C 317 ? 0.7111 0.5962 0.5812 -0.0320 0.0227 0.0085 335 THR C C +11110 C C B THR C 317 ? 0.7125 0.5977 0.5829 -0.0320 0.0227 0.0085 335 THR C C +11111 O O A THR C 317 ? 0.6664 0.5545 0.5411 -0.0333 0.0231 0.0087 335 THR C O +11112 O O B THR C 317 ? 0.6660 0.5544 0.5411 -0.0333 0.0231 0.0087 335 THR C O +11113 C CB A THR C 317 ? 0.7234 0.6144 0.6008 -0.0299 0.0193 0.0070 335 THR C CB +11114 C CB B THR C 317 ? 0.7242 0.6153 0.6017 -0.0299 0.0193 0.0070 335 THR C CB +11115 O OG1 A THR C 317 ? 0.7042 0.5948 0.5803 -0.0298 0.0223 0.0062 335 THR C OG1 +11116 O OG1 B THR C 317 ? 0.7049 0.5957 0.5812 -0.0298 0.0222 0.0061 335 THR C OG1 +11117 C CG2 A THR C 317 ? 0.6833 0.5750 0.5618 -0.0284 0.0159 0.0067 335 THR C CG2 +11118 C CG2 B THR C 317 ? 0.6840 0.5757 0.5624 -0.0284 0.0159 0.0067 335 THR C CG2 +11119 N N A GLY C 318 ? 0.6684 0.5494 0.5328 -0.0321 0.0252 0.0085 336 GLY C N +11120 N N B GLY C 318 ? 0.6682 0.5494 0.5328 -0.0322 0.0253 0.0085 336 GLY C N +11121 C CA A GLY C 318 ? 0.6737 0.5540 0.5374 -0.0339 0.0291 0.0087 336 GLY C CA +11122 C CA B GLY C 318 ? 0.6734 0.5539 0.5373 -0.0340 0.0291 0.0087 336 GLY C CA +11123 C C A GLY C 318 ? 0.6945 0.5775 0.5607 -0.0342 0.0322 0.0076 336 GLY C C +11124 C C B GLY C 318 ? 0.6951 0.5784 0.5616 -0.0342 0.0322 0.0075 336 GLY C C +11125 O O A GLY C 318 ? 0.7325 0.6137 0.5961 -0.0354 0.0358 0.0076 336 GLY C O +11126 O O B GLY C 318 ? 0.7318 0.6134 0.5960 -0.0355 0.0358 0.0075 336 GLY C O +11127 N N A LEU C 319 ? 0.6937 0.5809 0.5647 -0.0331 0.0311 0.0065 337 LEU C N +11128 N N B LEU C 319 ? 0.6943 0.5816 0.5655 -0.0331 0.0310 0.0065 337 LEU C N +11129 C CA A LEU C 319 ? 0.6717 0.5611 0.5445 -0.0328 0.0337 0.0053 337 LEU C CA +11130 C CA B LEU C 319 ? 0.6718 0.5612 0.5446 -0.0328 0.0337 0.0053 337 LEU C CA +11131 C C A LEU C 319 ? 0.7074 0.5916 0.5728 -0.0315 0.0344 0.0052 337 LEU C C +11132 C C B LEU C 319 ? 0.7081 0.5923 0.5735 -0.0315 0.0343 0.0051 337 LEU C C +11133 O O A LEU C 319 ? 0.6610 0.5410 0.5212 -0.0304 0.0319 0.0057 337 LEU C O +11134 O O B LEU C 319 ? 0.6593 0.5395 0.5198 -0.0304 0.0317 0.0057 337 LEU C O +11135 C CB A LEU C 319 ? 0.6529 0.5477 0.5325 -0.0318 0.0320 0.0043 337 LEU C CB +11136 C CB B LEU C 319 ? 0.6526 0.5474 0.5322 -0.0317 0.0320 0.0043 337 LEU C CB +11137 C CG A LEU C 319 ? 0.6874 0.5879 0.5748 -0.0328 0.0314 0.0042 337 LEU C CG +11138 C CG B LEU C 319 ? 0.6892 0.5898 0.5767 -0.0328 0.0315 0.0042 337 LEU C CG +11139 C CD1 A LEU C 319 ? 0.5965 0.5005 0.4884 -0.0312 0.0286 0.0035 337 LEU C CD1 +11140 C CD1 B LEU C 319 ? 0.5948 0.4990 0.4870 -0.0312 0.0287 0.0035 337 LEU C CD1 +11141 C CD2 A LEU C 319 ? 0.6471 0.5512 0.5384 -0.0342 0.0352 0.0035 337 LEU C CD2 +11142 C CD2 B LEU C 319 ? 0.6477 0.5518 0.5389 -0.0341 0.0353 0.0034 337 LEU C CD2 +11143 N N A GLY C 320 ? 0.6863 0.5709 0.5512 -0.0316 0.0379 0.0043 338 GLY C N +11144 N N B GLY C 320 ? 0.6880 0.5724 0.5527 -0.0316 0.0378 0.0043 338 GLY C N +11145 C CA A GLY C 320 ? 0.6608 0.5405 0.5186 -0.0304 0.0389 0.0040 338 GLY C CA +11146 C CA B GLY C 320 ? 0.6603 0.5398 0.5178 -0.0304 0.0388 0.0041 338 GLY C CA +11147 C C A GLY C 320 ? 0.6631 0.5421 0.5200 -0.0282 0.0353 0.0035 338 GLY C C +11148 C C B GLY C 320 ? 0.6629 0.5415 0.5194 -0.0282 0.0353 0.0036 338 GLY C C +11149 O O A GLY C 320 ? 0.6566 0.5400 0.5194 -0.0275 0.0337 0.0028 338 GLY C O +11150 O O B GLY C 320 ? 0.6571 0.5402 0.5196 -0.0275 0.0336 0.0029 338 GLY C O +11151 N N A LYS C 321 ? 0.7021 0.5753 0.5514 -0.0272 0.0341 0.0039 339 LYS C N +11152 N N B LYS C 321 ? 0.7033 0.5762 0.5521 -0.0272 0.0342 0.0039 339 LYS C N +11153 C CA A LYS C 321 ? 0.7043 0.5762 0.5520 -0.0253 0.0309 0.0033 339 LYS C CA +11154 C CA B LYS C 321 ? 0.7052 0.5768 0.5524 -0.0253 0.0309 0.0033 339 LYS C CA +11155 C C A LYS C 321 ? 0.7159 0.5894 0.5650 -0.0242 0.0325 0.0019 339 LYS C C +11156 C C B LYS C 321 ? 0.7173 0.5905 0.5659 -0.0242 0.0324 0.0019 339 LYS C C +11157 O O A LYS C 321 ? 0.6751 0.5506 0.5272 -0.0230 0.0301 0.0011 339 LYS C O +11158 O O B LYS C 321 ? 0.6799 0.5549 0.5313 -0.0230 0.0300 0.0012 339 LYS C O +11159 C CB A LYS C 321 ? 0.7032 0.5686 0.5422 -0.0246 0.0295 0.0039 339 LYS C CB +11160 C CB B LYS C 321 ? 0.7028 0.5678 0.5412 -0.0245 0.0295 0.0039 339 LYS C CB +11161 C CG A LYS C 321 ? 0.7246 0.5887 0.5621 -0.0229 0.0254 0.0035 339 LYS C CG +11162 C CG B LYS C 321 ? 0.7263 0.5902 0.5634 -0.0229 0.0255 0.0035 339 LYS C CG +11163 C CD A LYS C 321 ? 0.7248 0.5824 0.5533 -0.0221 0.0242 0.0039 339 LYS C CD +11164 C CD B LYS C 321 ? 0.7257 0.5832 0.5541 -0.0220 0.0240 0.0039 339 LYS C CD +11165 C CE A LYS C 321 ? 0.6809 0.5370 0.5078 -0.0228 0.0226 0.0053 339 LYS C CE +11166 C CE B LYS C 321 ? 0.6802 0.5360 0.5067 -0.0228 0.0230 0.0054 339 LYS C CE +11167 N NZ A LYS C 321 ? 0.7233 0.5731 0.5414 -0.0218 0.0214 0.0058 339 LYS C NZ +11168 N NZ B LYS C 321 ? 0.7237 0.5732 0.5415 -0.0217 0.0215 0.0058 339 LYS C NZ +11169 N N A TYR C 322 ? 0.6920 0.5645 0.5388 -0.0245 0.0365 0.0014 340 TYR C N +11170 N N B TYR C 322 ? 0.6936 0.5660 0.5403 -0.0245 0.0365 0.0014 340 TYR C N +11171 C CA A TYR C 322 ? 0.6270 0.5007 0.4745 -0.0233 0.0383 0.0000 340 TYR C CA +11172 C CA B TYR C 322 ? 0.6254 0.4989 0.4727 -0.0233 0.0383 0.0000 340 TYR C CA +11173 C C A TYR C 322 ? 0.7114 0.5909 0.5659 -0.0241 0.0415 -0.0007 340 TYR C C +11174 C C B TYR C 322 ? 0.7129 0.5923 0.5673 -0.0241 0.0414 -0.0007 340 TYR C C +11175 O O A TYR C 322 ? 0.7054 0.5882 0.5641 -0.0230 0.0415 -0.0018 340 TYR C O +11176 O O B TYR C 322 ? 0.7067 0.5894 0.5652 -0.0229 0.0415 -0.0019 340 TYR C O +11177 C CB A TYR C 322 ? 0.6665 0.5343 0.5054 -0.0227 0.0406 -0.0002 340 TYR C CB +11178 C CB B TYR C 322 ? 0.6662 0.5339 0.5049 -0.0227 0.0406 -0.0002 340 TYR C CB +11179 C CG A TYR C 322 ? 0.6680 0.5296 0.4990 -0.0218 0.0377 0.0004 340 TYR C CG +11180 C CG B TYR C 322 ? 0.6674 0.5290 0.4985 -0.0219 0.0377 0.0005 340 TYR C CG +11181 C CD1 A TYR C 322 ? 0.7019 0.5596 0.5280 -0.0228 0.0378 0.0018 340 TYR C CD1 +11182 C CD1 B TYR C 322 ? 0.7026 0.5602 0.5285 -0.0228 0.0379 0.0018 340 TYR C CD1 +11183 C CD2 A TYR C 322 ? 0.6361 0.4959 0.4650 -0.0201 0.0347 -0.0004 340 TYR C CD2 +11184 C CD2 B TYR C 322 ? 0.6344 0.4943 0.4634 -0.0201 0.0346 -0.0003 340 TYR C CD2 +11185 C CE1 A TYR C 322 ? 0.7191 0.5715 0.5383 -0.0218 0.0350 0.0023 340 TYR C CE1 +11186 C CE1 B TYR C 322 ? 0.7199 0.5722 0.5390 -0.0219 0.0350 0.0023 340 TYR C CE1 +11187 C CE2 A TYR C 322 ? 0.7221 0.5767 0.5443 -0.0193 0.0318 0.0001 340 TYR C CE2 +11188 C CE2 B TYR C 322 ? 0.7225 0.5772 0.5449 -0.0194 0.0318 0.0001 340 TYR C CE2 +11189 C CZ A TYR C 322 ? 0.7161 0.5671 0.5334 -0.0201 0.0320 0.0014 340 TYR C CZ +11190 C CZ B TYR C 322 ? 0.7167 0.5678 0.5342 -0.0202 0.0319 0.0014 340 TYR C CZ +11191 O OH A TYR C 322 ? 0.7082 0.5542 0.5189 -0.0192 0.0290 0.0018 340 TYR C OH +11192 O OH B TYR C 322 ? 0.7085 0.5546 0.5194 -0.0193 0.0290 0.0018 340 TYR C OH +11193 N N A LEU C 323 ? 0.6934 0.5741 0.5492 -0.0261 0.0441 0.0000 341 LEU C N +11194 N N B LEU C 323 ? 0.6938 0.5744 0.5496 -0.0261 0.0440 0.0000 341 LEU C N +11195 C CA A LEU C 323 ? 0.7609 0.6469 0.6229 -0.0271 0.0475 -0.0007 341 LEU C CA +11196 C CA B LEU C 323 ? 0.7626 0.6486 0.6246 -0.0271 0.0474 -0.0007 341 LEU C CA +11197 C C A LEU C 323 ? 0.7262 0.6158 0.5935 -0.0291 0.0472 0.0001 341 LEU C C +11198 C C B LEU C 323 ? 0.7279 0.6176 0.5954 -0.0291 0.0470 0.0001 341 LEU C C +11199 O O A LEU C 323 ? 0.6583 0.5447 0.5223 -0.0302 0.0461 0.0014 341 LEU C O +11200 O O B LEU C 323 ? 0.6570 0.5435 0.5213 -0.0302 0.0459 0.0013 341 LEU C O +11201 C CB A LEU C 323 ? 0.7453 0.6289 0.6029 -0.0278 0.0523 -0.0010 341 LEU C CB +11202 C CB B LEU C 323 ? 0.7461 0.6297 0.6037 -0.0278 0.0522 -0.0010 341 LEU C CB +11203 C CG A LEU C 323 ? 0.8095 0.6897 0.6617 -0.0258 0.0534 -0.0020 341 LEU C CG +11204 C CG B LEU C 323 ? 0.8112 0.6912 0.6632 -0.0259 0.0533 -0.0019 341 LEU C CG +11205 C CD1 A LEU C 323 ? 0.8085 0.6852 0.6552 -0.0269 0.0580 -0.0018 341 LEU C CD1 +11206 C CD1 B LEU C 323 ? 0.8090 0.6855 0.6555 -0.0269 0.0580 -0.0017 341 LEU C CD1 +11207 C CD2 A LEU C 323 ? 0.7233 0.6087 0.5816 -0.0243 0.0538 -0.0036 341 LEU C CD2 +11208 C CD2 B LEU C 323 ? 0.7238 0.6088 0.5818 -0.0243 0.0535 -0.0035 341 LEU C CD2 +11209 N N A MET C 324 ? 0.6192 0.5154 0.4947 -0.0296 0.0480 -0.0008 342 MET C N +11210 N N B MET C 324 ? 0.6177 0.5139 0.4933 -0.0295 0.0480 -0.0008 342 MET C N +11211 C CA A MET C 324 ? 0.6491 0.5493 0.5303 -0.0315 0.0478 -0.0002 342 MET C CA +11212 C CA B MET C 324 ? 0.6497 0.5500 0.5311 -0.0314 0.0477 -0.0003 342 MET C CA +11213 C C A MET C 324 ? 0.7047 0.6115 0.5933 -0.0320 0.0506 -0.0015 342 MET C C +11214 C C B MET C 324 ? 0.7063 0.6133 0.5951 -0.0320 0.0505 -0.0015 342 MET C C +11215 O O A MET C 324 ? 0.6731 0.5809 0.5618 -0.0309 0.0529 -0.0027 342 MET C O +11216 O O B MET C 324 ? 0.6725 0.5805 0.5614 -0.0309 0.0528 -0.0027 342 MET C O +11217 C CB A MET C 324 ? 0.6417 0.5431 0.5258 -0.0308 0.0431 0.0003 342 MET C CB +11218 C CB B MET C 324 ? 0.6405 0.5422 0.5249 -0.0308 0.0430 0.0003 342 MET C CB +11219 C CG A MET C 324 ? 0.6757 0.5805 0.5641 -0.0287 0.0409 -0.0008 342 MET C CG +11220 C CG B MET C 324 ? 0.6766 0.5817 0.5653 -0.0287 0.0409 -0.0008 342 MET C CG +11221 S SD A MET C 324 ? 0.6876 0.5937 0.5791 -0.0280 0.0357 -0.0001 342 MET C SD +11222 S SD B MET C 324 ? 0.6865 0.5926 0.5780 -0.0280 0.0356 -0.0001 342 MET C SD +11223 C CE A MET C 324 ? 0.6272 0.5398 0.5271 -0.0297 0.0360 -0.0001 342 MET C CE +11224 C CE B MET C 324 ? 0.6278 0.5404 0.5277 -0.0297 0.0360 -0.0001 342 MET C CE +11225 N N A ARG C 325 ? 0.6888 0.6002 0.5837 -0.0336 0.0502 -0.0014 343 ARG C N +11226 N N B ARG C 325 ? 0.6896 0.6012 0.5847 -0.0335 0.0502 -0.0014 343 ARG C N +11227 C CA A ARG C 325 ? 0.6976 0.6160 0.6003 -0.0342 0.0524 -0.0026 343 ARG C CA +11228 C CA B ARG C 325 ? 0.6980 0.6165 0.6008 -0.0342 0.0524 -0.0027 343 ARG C CA +11229 C C A ARG C 325 ? 0.6763 0.5998 0.5858 -0.0328 0.0491 -0.0032 343 ARG C C +11230 C C B ARG C 325 ? 0.6764 0.6001 0.5861 -0.0328 0.0491 -0.0033 343 ARG C C +11231 O O A ARG C 325 ? 0.6746 0.5974 0.5845 -0.0327 0.0456 -0.0024 343 ARG C O +11232 O O B ARG C 325 ? 0.6757 0.5985 0.5855 -0.0326 0.0455 -0.0024 343 ARG C O +11233 C CB A ARG C 325 ? 0.6529 0.5729 0.5578 -0.0372 0.0548 -0.0022 343 ARG C CB +11234 C CB B ARG C 325 ? 0.6527 0.5729 0.5578 -0.0372 0.0548 -0.0023 343 ARG C CB +11235 C CG A ARG C 325 ? 0.7088 0.6242 0.6075 -0.0388 0.0589 -0.0018 343 ARG C CG +11236 C CG B ARG C 325 ? 0.7098 0.6253 0.6086 -0.0388 0.0588 -0.0018 343 ARG C CG +11237 C CD A ARG C 325 ? 0.6686 0.5866 0.5707 -0.0419 0.0617 -0.0017 343 ARG C CD +11238 C CD B ARG C 325 ? 0.6667 0.5852 0.5693 -0.0418 0.0618 -0.0019 343 ARG C CD +11239 N NE A ARG C 325 ? 0.6755 0.5888 0.5715 -0.0436 0.0659 -0.0013 343 ARG C NE +11240 N NE B ARG C 325 ? 0.6788 0.5927 0.5754 -0.0435 0.0659 -0.0014 343 ARG C NE +11241 C CZ A ARG C 325 ? 0.7168 0.6319 0.6136 -0.0441 0.0702 -0.0023 343 ARG C CZ +11242 C CZ B ARG C 325 ? 0.7181 0.6337 0.6153 -0.0439 0.0702 -0.0024 343 ARG C CZ +11243 N NH1 A ARG C 325 ? 0.6124 0.5339 0.5156 -0.0429 0.0709 -0.0039 343 ARG C NH1 +11244 N NH1 B ARG C 325 ? 0.6061 0.5281 0.5098 -0.0426 0.0708 -0.0041 343 ARG C NH1 +11245 N NH2 A ARG C 325 ? 0.7185 0.6289 0.6093 -0.0459 0.0739 -0.0016 343 ARG C NH2 +11246 N NH2 B ARG C 325 ? 0.7196 0.6304 0.6107 -0.0455 0.0739 -0.0018 343 ARG C NH2 +11247 N N A SER C 326 ? 0.6423 0.5710 0.5572 -0.0316 0.0503 -0.0047 344 SER C N +11248 N N B SER C 326 ? 0.6410 0.5700 0.5562 -0.0317 0.0503 -0.0047 344 SER C N +11249 C CA A SER C 326 ? 0.6724 0.6067 0.5945 -0.0305 0.0478 -0.0054 344 SER C CA +11250 C CA B SER C 326 ? 0.6726 0.6071 0.5950 -0.0305 0.0477 -0.0054 344 SER C CA +11251 C C A SER C 326 ? 0.6784 0.6172 0.6063 -0.0328 0.0479 -0.0052 344 SER C C +11252 C C B SER C 326 ? 0.6793 0.6184 0.6075 -0.0328 0.0479 -0.0053 344 SER C C +11253 O O A SER C 326 ? 0.6896 0.6277 0.6164 -0.0352 0.0507 -0.0049 344 SER C O +11254 O O B SER C 326 ? 0.6902 0.6288 0.6175 -0.0352 0.0506 -0.0049 344 SER C O +11255 C CB A SER C 326 ? 0.7300 0.6684 0.6559 -0.0285 0.0493 -0.0071 344 SER C CB +11256 C CB B SER C 326 ? 0.7325 0.6711 0.6586 -0.0285 0.0493 -0.0071 344 SER C CB +11257 O OG A SER C 326 ? 0.7422 0.6863 0.6738 -0.0300 0.0525 -0.0080 344 SER C OG +11258 O OG B SER C 326 ? 0.7449 0.6892 0.6767 -0.0299 0.0525 -0.0081 344 SER C OG +11259 N N A PRO C 327 ? 0.6679 0.6111 0.6017 -0.0321 0.0451 -0.0055 345 PRO C N +11260 N N B PRO C 327 ? 0.6675 0.6110 0.6017 -0.0321 0.0450 -0.0056 345 PRO C N +11261 C CA A PRO C 327 ? 0.6501 0.5976 0.5893 -0.0343 0.0451 -0.0055 345 PRO C CA +11262 C CA B PRO C 327 ? 0.6491 0.5970 0.5888 -0.0342 0.0450 -0.0056 345 PRO C CA +11263 C C A PRO C 327 ? 0.7371 0.6895 0.6810 -0.0359 0.0490 -0.0067 345 PRO C C +11264 C C B PRO C 327 ? 0.7394 0.6920 0.6835 -0.0359 0.0490 -0.0067 345 PRO C C +11265 O O A PRO C 327 ? 0.6530 0.6079 0.6001 -0.0384 0.0497 -0.0066 345 PRO C O +11266 O O B PRO C 327 ? 0.6534 0.6084 0.6006 -0.0384 0.0497 -0.0066 345 PRO C O +11267 C CB A PRO C 327 ? 0.6754 0.6269 0.6200 -0.0327 0.0414 -0.0058 345 PRO C CB +11268 C CB B PRO C 327 ? 0.6753 0.6274 0.6205 -0.0325 0.0414 -0.0060 345 PRO C CB +11269 C CG A PRO C 327 ? 0.6409 0.5881 0.5810 -0.0302 0.0388 -0.0053 345 PRO C CG +11270 C CG B PRO C 327 ? 0.6405 0.5879 0.5808 -0.0302 0.0387 -0.0054 345 PRO C CG +11271 C CD A PRO C 327 ? 0.5894 0.5335 0.5248 -0.0295 0.0417 -0.0058 345 PRO C CD +11272 C CD B PRO C 327 ? 0.5878 0.5320 0.5233 -0.0295 0.0415 -0.0058 345 PRO C CD +11273 N N . THR C 328 ? 0.6373 0.5914 0.5817 -0.0348 0.0517 -0.0079 346 THR C N +11274 C CA . THR C 328 ? 0.7023 0.6610 0.6508 -0.0364 0.0559 -0.0091 346 THR C CA +11275 C C . THR C 328 ? 0.6969 0.6508 0.6391 -0.0376 0.0600 -0.0088 346 THR C C +11276 O O . THR C 328 ? 0.7085 0.6658 0.6534 -0.0387 0.0639 -0.0098 346 THR C O +11277 C CB . THR C 328 ? 0.7626 0.7280 0.7178 -0.0343 0.0565 -0.0110 346 THR C CB +11278 O OG1 . THR C 328 ? 0.7531 0.7159 0.7051 -0.0311 0.0552 -0.0112 346 THR C OG1 +11279 C CG2 . THR C 328 ? 0.6365 0.6082 0.5996 -0.0341 0.0536 -0.0115 346 THR C CG2 +11280 N N . GLY C 329 ? 0.6634 0.6096 0.5972 -0.0375 0.0591 -0.0073 347 GLY C N +11281 C CA . GLY C 329 ? 0.6208 0.5619 0.5479 -0.0390 0.0627 -0.0067 347 GLY C CA +11282 C C . GLY C 329 ? 0.7365 0.6732 0.6574 -0.0369 0.0639 -0.0069 347 GLY C C +11283 O O . GLY C 329 ? 0.6663 0.5968 0.5797 -0.0377 0.0656 -0.0060 347 GLY C O +11284 N N . GLU C 330 ? 0.6471 0.5865 0.5706 -0.0341 0.0628 -0.0081 348 GLU C N +11285 C CA . GLU C 330 ? 0.7391 0.6747 0.6571 -0.0320 0.0642 -0.0085 348 GLU C CA +11286 C C . GLU C 330 ? 0.7409 0.6682 0.6499 -0.0314 0.0619 -0.0071 348 GLU C C +11287 O O . GLU C 330 ? 0.7132 0.6390 0.6218 -0.0313 0.0580 -0.0061 348 GLU C O +11288 C CB . GLU C 330 ? 0.6665 0.6062 0.5889 -0.0290 0.0628 -0.0099 348 GLU C CB +11289 C CG . GLU C 330 ? 0.6171 0.5650 0.5481 -0.0290 0.0653 -0.0116 348 GLU C CG +11290 C CD . GLU C 330 ? 0.7169 0.6709 0.6559 -0.0300 0.0631 -0.0118 348 GLU C CD +11291 O OE1 . GLU C 330 ? 0.7399 0.6919 0.6780 -0.0304 0.0595 -0.0106 348 GLU C OE1 +11292 O OE2 . GLU C 330 ? 0.8302 0.7913 0.7766 -0.0303 0.0650 -0.0131 348 GLU C OE2 +11293 N N . ILE C 331 ? 0.7362 0.6583 0.6380 -0.0311 0.0644 -0.0069 349 ILE C N +11294 C CA . ILE C 331 ? 0.7556 0.6698 0.6485 -0.0304 0.0623 -0.0058 349 ILE C CA +11295 C C . ILE C 331 ? 0.7761 0.6896 0.6685 -0.0273 0.0591 -0.0064 349 ILE C C +11296 O O . ILE C 331 ? 0.7391 0.6545 0.6327 -0.0256 0.0606 -0.0077 349 ILE C O +11297 C CB . ILE C 331 ? 0.7395 0.6482 0.6246 -0.0311 0.0661 -0.0055 349 ILE C CB +11298 C CG1 . ILE C 331 ? 0.7472 0.6571 0.6336 -0.0342 0.0698 -0.0050 349 ILE C CG1 +11299 C CG2 . ILE C 331 ? 0.7222 0.6228 0.5981 -0.0304 0.0637 -0.0042 349 ILE C CG2 +11300 C CD1 . ILE C 331 ? 0.6569 0.5656 0.5434 -0.0362 0.0676 -0.0036 349 ILE C CD1 +11301 N N A ILE C 332 ? 0.7159 0.6269 0.6066 -0.0268 0.0548 -0.0054 350 ILE C N +11302 N N B ILE C 332 ? 0.7173 0.6283 0.6080 -0.0268 0.0548 -0.0054 350 ILE C N +11303 C CA A ILE C 332 ? 0.6684 0.5790 0.5593 -0.0243 0.0514 -0.0059 350 ILE C CA +11304 C CA B ILE C 332 ? 0.6683 0.5790 0.5594 -0.0243 0.0513 -0.0059 350 ILE C CA +11305 C C A ILE C 332 ? 0.6053 0.5092 0.4889 -0.0238 0.0483 -0.0048 350 ILE C C +11306 C C B ILE C 332 ? 0.6030 0.5071 0.4868 -0.0238 0.0483 -0.0048 350 ILE C C +11307 O O A ILE C 332 ? 0.7015 0.6021 0.5813 -0.0254 0.0482 -0.0036 350 ILE C O +11308 O O B ILE C 332 ? 0.7041 0.6046 0.5838 -0.0254 0.0483 -0.0036 350 ILE C O +11309 C CB A ILE C 332 ? 0.6895 0.6060 0.5886 -0.0239 0.0486 -0.0062 350 ILE C CB +11310 C CB B ILE C 332 ? 0.6908 0.6074 0.5901 -0.0240 0.0485 -0.0062 350 ILE C CB +11311 C CG1 A ILE C 332 ? 0.6227 0.5387 0.5225 -0.0257 0.0461 -0.0047 350 ILE C CG1 +11312 C CG1 B ILE C 332 ? 0.6215 0.5374 0.5212 -0.0257 0.0459 -0.0047 350 ILE C CG1 +11313 C CG2 A ILE C 332 ? 0.6655 0.5891 0.5723 -0.0243 0.0513 -0.0074 350 ILE C CG2 +11314 C CG2 B ILE C 332 ? 0.6636 0.5873 0.5705 -0.0245 0.0513 -0.0073 350 ILE C CG2 +11315 C CD1 A ILE C 332 ? 0.6394 0.5602 0.5461 -0.0253 0.0430 -0.0048 350 ILE C CD1 +11316 C CD1 B ILE C 332 ? 0.6393 0.5601 0.5460 -0.0253 0.0429 -0.0048 350 ILE C CD1 +11317 N N A PHE C 333 ? 0.6886 0.5907 0.5706 -0.0217 0.0458 -0.0053 351 PHE C N +11318 N N B PHE C 333 ? 0.6900 0.5924 0.5723 -0.0217 0.0457 -0.0053 351 PHE C N +11319 C CA A PHE C 333 ? 0.6509 0.5476 0.5271 -0.0212 0.0424 -0.0045 351 PHE C CA +11320 C CA B PHE C 333 ? 0.6508 0.5476 0.5272 -0.0212 0.0423 -0.0045 351 PHE C CA +11321 C C A PHE C 333 ? 0.6816 0.5796 0.5608 -0.0223 0.0391 -0.0033 351 PHE C C +11322 C C B PHE C 333 ? 0.6830 0.5812 0.5624 -0.0223 0.0390 -0.0033 351 PHE C C +11323 O O A PHE C 333 ? 0.6495 0.5527 0.5357 -0.0224 0.0380 -0.0035 351 PHE C O +11324 O O B PHE C 333 ? 0.6497 0.5530 0.5361 -0.0225 0.0380 -0.0035 351 PHE C O +11325 C CB A PHE C 333 ? 0.6181 0.5132 0.4929 -0.0188 0.0404 -0.0055 351 PHE C CB +11326 C CB B PHE C 333 ? 0.6163 0.5115 0.4912 -0.0188 0.0403 -0.0054 351 PHE C CB +11327 C CG A PHE C 333 ? 0.7106 0.6021 0.5798 -0.0176 0.0430 -0.0064 351 PHE C CG +11328 C CG B PHE C 333 ? 0.7107 0.6024 0.5801 -0.0176 0.0429 -0.0064 351 PHE C CG +11329 C CD1 A PHE C 333 ? 0.7347 0.6212 0.5966 -0.0184 0.0448 -0.0058 351 PHE C CD1 +11330 C CD1 B PHE C 333 ? 0.7349 0.6213 0.5968 -0.0183 0.0446 -0.0058 351 PHE C CD1 +11331 C CD2 A PHE C 333 ? 0.7043 0.5973 0.5752 -0.0156 0.0436 -0.0078 351 PHE C CD2 +11332 C CD2 B PHE C 333 ? 0.7042 0.5976 0.5756 -0.0157 0.0437 -0.0078 351 PHE C CD2 +11333 C CE1 A PHE C 333 ? 0.7855 0.6684 0.6418 -0.0172 0.0473 -0.0067 351 PHE C CE1 +11334 C CE1 B PHE C 333 ? 0.7860 0.6690 0.6425 -0.0172 0.0471 -0.0067 351 PHE C CE1 +11335 C CE2 A PHE C 333 ? 0.7827 0.6723 0.6482 -0.0144 0.0461 -0.0088 351 PHE C CE2 +11336 C CE2 B PHE C 333 ? 0.7830 0.6729 0.6490 -0.0145 0.0461 -0.0088 351 PHE C CE2 +11337 C CZ A PHE C 333 ? 0.7465 0.6310 0.6047 -0.0152 0.0479 -0.0082 351 PHE C CZ +11338 C CZ B PHE C 333 ? 0.7463 0.6311 0.6048 -0.0153 0.0479 -0.0082 351 PHE C CZ +11339 N N A GLY C 334 ? 0.6386 0.5319 0.5123 -0.0229 0.0374 -0.0022 352 GLY C N +11340 N N B GLY C 334 ? 0.6388 0.5321 0.5126 -0.0228 0.0372 -0.0022 352 GLY C N +11341 C CA A GLY C 334 ? 0.6506 0.5446 0.5263 -0.0238 0.0343 -0.0011 352 GLY C CA +11342 C CA B GLY C 334 ? 0.6509 0.5447 0.5264 -0.0237 0.0341 -0.0011 352 GLY C CA +11343 C C A GLY C 334 ? 0.6478 0.5407 0.5233 -0.0225 0.0301 -0.0011 352 GLY C C +11344 C C B GLY C 334 ? 0.6485 0.5413 0.5239 -0.0224 0.0299 -0.0011 352 GLY C C +11345 O O A GLY C 334 ? 0.6607 0.5527 0.5352 -0.0208 0.0294 -0.0020 352 GLY C O +11346 O O B GLY C 334 ? 0.6601 0.5521 0.5346 -0.0208 0.0292 -0.0020 352 GLY C O +11347 N N A GLY C 335 ? 0.6770 0.5699 0.5533 -0.0232 0.0274 0.0000 353 GLY C N +11348 N N B GLY C 335 ? 0.6785 0.5713 0.5547 -0.0232 0.0272 0.0000 353 GLY C N +11349 C CA A GLY C 335 ? 0.6385 0.5314 0.5160 -0.0223 0.0235 0.0000 353 GLY C CA +11350 C CA B GLY C 335 ? 0.6373 0.5302 0.5148 -0.0223 0.0233 0.0000 353 GLY C CA +11351 C C A GLY C 335 ? 0.7024 0.6006 0.5873 -0.0218 0.0228 -0.0006 353 GLY C C +11352 C C B GLY C 335 ? 0.7039 0.6020 0.5887 -0.0218 0.0227 -0.0006 353 GLY C C +11353 O O A GLY C 335 ? 0.6991 0.6015 0.5887 -0.0223 0.0250 -0.0010 353 GLY C O +11354 O O B GLY C 335 ? 0.7019 0.6042 0.5915 -0.0223 0.0248 -0.0009 353 GLY C O +11355 N N A GLU C 336 ? 0.6842 0.5821 0.5699 -0.0209 0.0196 -0.0007 354 GLU C N +11356 N N B GLU C 336 ? 0.6846 0.5825 0.5702 -0.0208 0.0196 -0.0007 354 GLU C N +11357 C CA A GLU C 336 ? 0.6601 0.5625 0.5523 -0.0203 0.0185 -0.0011 354 GLU C CA +11358 C CA B GLU C 336 ? 0.6607 0.5631 0.5529 -0.0203 0.0185 -0.0011 354 GLU C CA +11359 C C A GLU C 336 ? 0.6613 0.5662 0.5561 -0.0192 0.0209 -0.0024 354 GLU C C +11360 C C B GLU C 336 ? 0.6619 0.5668 0.5568 -0.0192 0.0208 -0.0024 354 GLU C C +11361 O O A GLU C 336 ? 0.6606 0.5699 0.5613 -0.0189 0.0209 -0.0027 354 GLU C O +11362 O O B GLU C 336 ? 0.6608 0.5702 0.5616 -0.0189 0.0208 -0.0027 354 GLU C O +11363 C CB A GLU C 336 ? 0.5924 0.4933 0.4842 -0.0195 0.0150 -0.0010 354 GLU C CB +11364 C CB B GLU C 336 ? 0.5890 0.4901 0.4810 -0.0196 0.0149 -0.0010 354 GLU C CB +11365 C CG A GLU C 336 ? 0.7052 0.6098 0.6025 -0.0200 0.0131 -0.0005 354 GLU C CG +11366 C CG B GLU C 336 ? 0.7297 0.6349 0.6278 -0.0198 0.0132 -0.0006 354 GLU C CG +11367 C CD A GLU C 336 ? 0.7301 0.6336 0.6276 -0.0195 0.0098 -0.0003 354 GLU C CD +11368 C CD B GLU C 336 ? 0.7348 0.6387 0.6329 -0.0194 0.0098 -0.0004 354 GLU C CD +11369 O OE1 A GLU C 336 ? 0.7241 0.6247 0.6186 -0.0184 0.0090 -0.0010 354 GLU C OE1 +11370 O OE1 B GLU C 336 ? 0.7260 0.6267 0.6206 -0.0185 0.0089 -0.0009 354 GLU C OE1 +11371 O OE2 A GLU C 336 ? 0.6915 0.5969 0.5920 -0.0202 0.0080 0.0005 354 GLU C OE2 +11372 O OE2 B GLU C 336 ? 0.6865 0.5926 0.5878 -0.0201 0.0081 0.0004 354 GLU C OE2 +11373 N N A THR C 337 ? 0.6131 0.5152 0.5036 -0.0185 0.0231 -0.0031 355 THR C N +11374 N N B THR C 337 ? 0.6127 0.5147 0.5032 -0.0184 0.0228 -0.0031 355 THR C N +11375 C CA A THR C 337 ? 0.6650 0.5694 0.5577 -0.0173 0.0256 -0.0044 355 THR C CA +11376 C CA B THR C 337 ? 0.6638 0.5682 0.5566 -0.0172 0.0253 -0.0044 355 THR C CA +11377 C C A THR C 337 ? 0.6509 0.5599 0.5481 -0.0183 0.0286 -0.0045 355 THR C C +11378 C C B THR C 337 ? 0.6530 0.5620 0.5503 -0.0182 0.0284 -0.0045 355 THR C C +11379 O O A THR C 337 ? 0.6469 0.5587 0.5469 -0.0174 0.0308 -0.0056 355 THR C O +11380 O O B THR C 337 ? 0.6480 0.5598 0.5481 -0.0172 0.0305 -0.0057 355 THR C O +11381 C CB A THR C 337 ? 0.6640 0.5638 0.5503 -0.0162 0.0271 -0.0052 355 THR C CB +11382 C CB B THR C 337 ? 0.6666 0.5664 0.5531 -0.0161 0.0269 -0.0052 355 THR C CB +11383 O OG1 A THR C 337 ? 0.6945 0.5959 0.5829 -0.0144 0.0282 -0.0065 355 THR C OG1 +11384 O OG1 B THR C 337 ? 0.6954 0.5969 0.5840 -0.0143 0.0281 -0.0066 355 THR C OG1 +11385 C CG2 A THR C 337 ? 0.5988 0.4973 0.4818 -0.0173 0.0306 -0.0049 355 THR C CG2 +11386 C CG2 B THR C 337 ? 0.5954 0.4939 0.4786 -0.0173 0.0302 -0.0049 355 THR C CG2 +11387 N N A MET C 338 ? 0.6112 0.5212 0.5094 -0.0203 0.0287 -0.0034 356 MET C N +11388 N N B MET C 338 ? 0.6124 0.5223 0.5106 -0.0202 0.0285 -0.0035 356 MET C N +11389 C CA A MET C 338 ? 0.6381 0.5529 0.5415 -0.0215 0.0312 -0.0036 356 MET C CA +11390 C CA B MET C 338 ? 0.6393 0.5540 0.5426 -0.0214 0.0310 -0.0036 356 MET C CA +11391 C C A MET C 338 ? 0.6425 0.5629 0.5530 -0.0204 0.0306 -0.0045 356 MET C C +11392 C C B MET C 338 ? 0.6428 0.5632 0.5534 -0.0204 0.0306 -0.0045 356 MET C C +11393 O O A MET C 338 ? 0.6643 0.5890 0.5791 -0.0207 0.0332 -0.0053 356 MET C O +11394 O O B MET C 338 ? 0.6653 0.5901 0.5801 -0.0206 0.0331 -0.0053 356 MET C O +11395 C CB A MET C 338 ? 0.6205 0.5355 0.5244 -0.0236 0.0304 -0.0023 356 MET C CB +11396 C CB B MET C 338 ? 0.6202 0.5350 0.5239 -0.0235 0.0303 -0.0023 356 MET C CB +11397 C CG A MET C 338 ? 0.6306 0.5471 0.5377 -0.0236 0.0266 -0.0016 356 MET C CG +11398 C CG B MET C 338 ? 0.6324 0.5485 0.5390 -0.0235 0.0266 -0.0016 356 MET C CG +11399 S SD A MET C 338 ? 0.6597 0.5766 0.5677 -0.0259 0.0259 -0.0002 356 MET C SD +11400 S SD B MET C 338 ? 0.6582 0.5752 0.5662 -0.0259 0.0261 -0.0003 356 MET C SD +11401 C CE A MET C 338 ? 0.5905 0.5004 0.4898 -0.0264 0.0256 0.0008 356 MET C CE +11402 C CE B MET C 338 ? 0.5893 0.4994 0.4888 -0.0264 0.0257 0.0008 356 MET C CE +11403 N N A ARG C 339 ? 0.6184 0.5389 0.5303 -0.0192 0.0274 -0.0045 357 ARG C N +11404 N N B ARG C 339 ? 0.6177 0.5381 0.5296 -0.0191 0.0273 -0.0045 357 ARG C N +11405 C CA A ARG C 339 ? 0.6371 0.5623 0.5553 -0.0179 0.0266 -0.0052 357 ARG C CA +11406 C CA B ARG C 339 ? 0.6378 0.5631 0.5560 -0.0178 0.0266 -0.0053 357 ARG C CA +11407 C C A ARG C 339 ? 0.6941 0.6203 0.6128 -0.0159 0.0286 -0.0067 357 ARG C C +11408 C C B ARG C 339 ? 0.6968 0.6230 0.6156 -0.0158 0.0285 -0.0067 357 ARG C C +11409 O O A ARG C 339 ? 0.6150 0.5458 0.5392 -0.0148 0.0288 -0.0076 357 ARG C O +11410 O O B ARG C 339 ? 0.6126 0.5435 0.5370 -0.0147 0.0286 -0.0076 357 ARG C O +11411 C CB A ARG C 339 ? 0.6242 0.5483 0.5429 -0.0170 0.0227 -0.0047 357 ARG C CB +11412 C CB B ARG C 339 ? 0.6234 0.5477 0.5422 -0.0170 0.0227 -0.0047 357 ARG C CB +11413 C CG A ARG C 339 ? 0.6254 0.5445 0.5389 -0.0156 0.0213 -0.0050 357 ARG C CG +11414 C CG B ARG C 339 ? 0.6260 0.5453 0.5398 -0.0155 0.0213 -0.0050 357 ARG C CG +11415 C CD A ARG C 339 ? 0.6358 0.5541 0.5503 -0.0148 0.0177 -0.0045 357 ARG C CD +11416 C CD B ARG C 339 ? 0.6351 0.5538 0.5500 -0.0148 0.0177 -0.0046 357 ARG C CD +11417 N NE A ARG C 339 ? 0.6262 0.5435 0.5400 -0.0165 0.0156 -0.0032 357 ARG C NE +11418 N NE B ARG C 339 ? 0.6267 0.5441 0.5406 -0.0164 0.0156 -0.0033 357 ARG C NE +11419 C CZ A ARG C 339 ? 0.7234 0.6391 0.6366 -0.0164 0.0126 -0.0026 357 ARG C CZ +11420 C CZ B ARG C 339 ? 0.7272 0.6428 0.6404 -0.0163 0.0126 -0.0027 357 ARG C CZ +11421 N NH1 A ARG C 339 ? 0.5975 0.5116 0.5103 -0.0148 0.0112 -0.0032 357 ARG C NH1 +11422 N NH1 B ARG C 339 ? 0.5968 0.5110 0.5097 -0.0147 0.0113 -0.0033 357 ARG C NH1 +11423 N NH2 A ARG C 339 ? 0.6138 0.5293 0.5270 -0.0178 0.0110 -0.0015 357 ARG C NH2 +11424 N NH2 B ARG C 339 ? 0.6153 0.5305 0.5281 -0.0177 0.0110 -0.0015 357 ARG C NH2 +11425 N N A PHE C 340 ? 0.5811 0.5028 0.4940 -0.0152 0.0298 -0.0071 358 PHE C N +11426 N N B PHE C 340 ? 0.5795 0.5014 0.4926 -0.0152 0.0299 -0.0071 358 PHE C N +11427 C CA A PHE C 340 ? 0.6888 0.6107 0.6015 -0.0131 0.0314 -0.0085 358 PHE C CA +11428 C CA B PHE C 340 ? 0.6904 0.6123 0.6031 -0.0130 0.0314 -0.0085 358 PHE C CA +11429 C C A PHE C 340 ? 0.6971 0.6205 0.6096 -0.0134 0.0357 -0.0093 358 PHE C C +11430 C C B PHE C 340 ? 0.6986 0.6220 0.6111 -0.0134 0.0357 -0.0093 358 PHE C C +11431 O O A PHE C 340 ? 0.6990 0.6212 0.6095 -0.0118 0.0374 -0.0104 358 PHE C O +11432 O O B PHE C 340 ? 0.7000 0.6224 0.6107 -0.0117 0.0375 -0.0105 358 PHE C O +11433 C CB A PHE C 340 ? 0.6701 0.5858 0.5764 -0.0118 0.0297 -0.0086 358 PHE C CB +11434 C CB B PHE C 340 ? 0.6708 0.5865 0.5770 -0.0118 0.0298 -0.0086 358 PHE C CB +11435 C CG A PHE C 340 ? 0.6560 0.5707 0.5632 -0.0109 0.0259 -0.0083 358 PHE C CG +11436 C CG B PHE C 340 ? 0.6582 0.5729 0.5653 -0.0110 0.0260 -0.0082 358 PHE C CG +11437 C CD1 A PHE C 340 ? 0.5543 0.4728 0.4669 -0.0095 0.0249 -0.0088 358 PHE C CD1 +11438 C CD1 B PHE C 340 ? 0.5515 0.4700 0.4641 -0.0096 0.0249 -0.0088 358 PHE C CD1 +11439 C CD2 A PHE C 340 ? 0.6261 0.5361 0.5286 -0.0115 0.0233 -0.0074 358 PHE C CD2 +11440 C CD2 B PHE C 340 ? 0.6267 0.5366 0.5291 -0.0115 0.0234 -0.0074 358 PHE C CD2 +11441 C CE1 A PHE C 340 ? 0.6310 0.5481 0.5440 -0.0087 0.0216 -0.0085 358 PHE C CE1 +11442 C CE1 B PHE C 340 ? 0.6315 0.5486 0.5444 -0.0089 0.0216 -0.0084 358 PHE C CE1 +11443 C CE2 A PHE C 340 ? 0.6254 0.5343 0.5286 -0.0109 0.0200 -0.0072 358 PHE C CE2 +11444 C CE2 B PHE C 340 ? 0.6252 0.5342 0.5284 -0.0110 0.0201 -0.0071 358 PHE C CE2 +11445 C CZ A PHE C 340 ? 0.6313 0.5436 0.5396 -0.0095 0.0192 -0.0076 358 PHE C CZ +11446 C CZ B PHE C 340 ? 0.6318 0.5442 0.5401 -0.0097 0.0192 -0.0076 358 PHE C CZ +11447 N N A TRP C 341 ? 0.6881 0.6140 0.6027 -0.0156 0.0375 -0.0088 359 TRP C N +11448 N N B TRP C 341 ? 0.6897 0.6157 0.6043 -0.0156 0.0376 -0.0088 359 TRP C N +11449 C CA A TRP C 341 ? 0.6098 0.5365 0.5235 -0.0164 0.0418 -0.0094 359 TRP C CA +11450 C CA B TRP C 341 ? 0.6075 0.5343 0.5213 -0.0163 0.0419 -0.0095 359 TRP C CA +11451 C C A TRP C 341 ? 0.6916 0.6236 0.6106 -0.0148 0.0441 -0.0110 359 TRP C C +11452 C C B TRP C 341 ? 0.6920 0.6242 0.6112 -0.0147 0.0442 -0.0111 359 TRP C C +11453 O O A TRP C 341 ? 0.6855 0.6180 0.6035 -0.0150 0.0478 -0.0118 359 TRP C O +11454 O O B TRP C 341 ? 0.6875 0.6202 0.6058 -0.0149 0.0479 -0.0118 359 TRP C O +11455 C CB A TRP C 341 ? 0.6064 0.5346 0.5213 -0.0193 0.0433 -0.0085 359 TRP C CB +11456 C CB B TRP C 341 ? 0.6058 0.5340 0.5206 -0.0192 0.0434 -0.0085 359 TRP C CB +11457 C CG A TRP C 341 ? 0.6089 0.5439 0.5320 -0.0202 0.0432 -0.0087 359 TRP C CG +11458 C CG B TRP C 341 ? 0.6073 0.5422 0.5302 -0.0201 0.0433 -0.0088 359 TRP C CG +11459 C CD1 A TRP C 341 ? 0.6425 0.5797 0.5695 -0.0203 0.0398 -0.0082 359 TRP C CD1 +11460 C CD1 B TRP C 341 ? 0.6433 0.5804 0.5701 -0.0202 0.0400 -0.0082 359 TRP C CD1 +11461 C CD2 A TRP C 341 ? 0.7011 0.6416 0.6293 -0.0211 0.0465 -0.0097 359 TRP C CD2 +11462 C CD2 B TRP C 341 ? 0.7021 0.6425 0.6302 -0.0210 0.0467 -0.0097 359 TRP C CD2 +11463 N NE1 A TRP C 341 ? 0.6643 0.6080 0.5984 -0.0212 0.0408 -0.0087 359 TRP C NE1 +11464 N NE1 B TRP C 341 ? 0.6653 0.6089 0.5993 -0.0211 0.0410 -0.0088 359 TRP C NE1 +11465 C CE2 A TRP C 341 ? 0.6656 0.6115 0.6008 -0.0217 0.0449 -0.0097 359 TRP C CE2 +11466 C CE2 B TRP C 341 ? 0.6668 0.6127 0.6019 -0.0217 0.0450 -0.0097 359 TRP C CE2 +11467 C CE3 A TRP C 341 ? 0.7018 0.6433 0.6295 -0.0215 0.0509 -0.0106 359 TRP C CE3 +11468 C CE3 B TRP C 341 ? 0.7027 0.6441 0.6302 -0.0214 0.0510 -0.0106 359 TRP C CE3 +11469 C CZ2 A TRP C 341 ? 0.6776 0.6300 0.6194 -0.0228 0.0472 -0.0106 359 TRP C CZ2 +11470 C CZ2 B TRP C 341 ? 0.6795 0.6318 0.6211 -0.0228 0.0474 -0.0107 359 TRP C CZ2 +11471 C CZ3 A TRP C 341 ? 0.6268 0.5748 0.5612 -0.0226 0.0534 -0.0115 359 TRP C CZ3 +11472 C CZ3 B TRP C 341 ? 0.6253 0.5733 0.5596 -0.0226 0.0536 -0.0115 359 TRP C CZ3 +11473 C CH2 A TRP C 341 ? 0.7112 0.6647 0.6527 -0.0233 0.0515 -0.0115 359 TRP C CH2 +11474 C CH2 B TRP C 341 ? 0.7118 0.6653 0.6532 -0.0233 0.0516 -0.0116 359 TRP C CH2 +11475 N N A ASP C 342 ? 0.6619 0.5977 0.5862 -0.0132 0.0420 -0.0116 360 ASP C N +11476 N N B ASP C 342 ? 0.6613 0.5973 0.5859 -0.0131 0.0421 -0.0117 360 ASP C N +11477 C CA A ASP C 342 ? 0.7275 0.6682 0.6567 -0.0113 0.0439 -0.0133 360 ASP C CA +11478 C CA B ASP C 342 ? 0.7298 0.6708 0.6594 -0.0112 0.0438 -0.0133 360 ASP C CA +11479 C C A ASP C 342 ? 0.7681 0.7052 0.6931 -0.0087 0.0445 -0.0142 360 ASP C C +11480 C C B ASP C 342 ? 0.7705 0.7080 0.6959 -0.0086 0.0446 -0.0143 360 ASP C C +11481 O O A ASP C 342 ? 0.7118 0.6525 0.6401 -0.0068 0.0463 -0.0157 360 ASP C O +11482 O O B ASP C 342 ? 0.7105 0.6517 0.6393 -0.0068 0.0464 -0.0158 360 ASP C O +11483 C CB A ASP C 342 ? 0.6598 0.6055 0.5959 -0.0102 0.0412 -0.0135 360 ASP C CB +11484 C CB B ASP C 342 ? 0.6570 0.6028 0.5933 -0.0101 0.0411 -0.0136 360 ASP C CB +11485 C CG A ASP C 342 ? 0.7125 0.6619 0.6530 -0.0126 0.0404 -0.0127 360 ASP C CG +11486 C CG B ASP C 342 ? 0.7134 0.6628 0.6541 -0.0125 0.0402 -0.0127 360 ASP C CG +11487 O OD1 A ASP C 342 ? 0.7412 0.6947 0.6852 -0.0142 0.0433 -0.0131 360 ASP C OD1 +11488 O OD1 B ASP C 342 ? 0.7422 0.6956 0.6861 -0.0142 0.0430 -0.0131 360 ASP C OD1 +11489 O OD2 A ASP C 342 ? 0.7227 0.6705 0.6628 -0.0131 0.0371 -0.0116 360 ASP C OD2 +11490 O OD2 B ASP C 342 ? 0.7274 0.6756 0.6682 -0.0127 0.0367 -0.0117 360 ASP C OD2 +11491 N N A PHE C 343 ? 0.7065 0.6367 0.6243 -0.0085 0.0429 -0.0136 361 PHE C N +11492 N N B PHE C 343 ? 0.7074 0.6381 0.6257 -0.0084 0.0430 -0.0136 361 PHE C N +11493 C CA A PHE C 343 ? 0.7450 0.6712 0.6581 -0.0061 0.0433 -0.0145 361 PHE C CA +11494 C CA B PHE C 343 ? 0.7454 0.6721 0.6591 -0.0060 0.0434 -0.0146 361 PHE C CA +11495 C C A PHE C 343 ? 0.6853 0.6118 0.5966 -0.0058 0.0478 -0.0155 361 PHE C C +11496 C C B PHE C 343 ? 0.6824 0.6094 0.5943 -0.0058 0.0479 -0.0156 361 PHE C C +11497 O O A PHE C 343 ? 0.7815 0.7072 0.6906 -0.0080 0.0502 -0.0150 361 PHE C O +11498 O O B PHE C 343 ? 0.7858 0.7124 0.6960 -0.0080 0.0504 -0.0151 361 PHE C O +11499 C CB A PHE C 343 ? 0.7556 0.6745 0.6613 -0.0064 0.0408 -0.0136 361 PHE C CB +11500 C CB B PHE C 343 ? 0.7587 0.6781 0.6649 -0.0062 0.0409 -0.0137 361 PHE C CB +11501 C CG A PHE C 343 ? 0.7634 0.6774 0.6631 -0.0044 0.0418 -0.0146 361 PHE C CG +11502 C CG B PHE C 343 ? 0.7637 0.6781 0.6640 -0.0043 0.0418 -0.0146 361 PHE C CG +11503 C CD1 A PHE C 343 ? 0.6719 0.5853 0.5722 -0.0018 0.0404 -0.0156 361 PHE C CD1 +11504 C CD1 B PHE C 343 ? 0.6676 0.5813 0.5683 -0.0017 0.0403 -0.0156 361 PHE C CD1 +11505 C CD2 A PHE C 343 ? 0.7010 0.6109 0.5944 -0.0052 0.0442 -0.0145 361 PHE C CD2 +11506 C CD2 B PHE C 343 ? 0.7013 0.6117 0.5953 -0.0051 0.0443 -0.0146 361 PHE C CD2 +11507 C CE1 A PHE C 343 ? 0.7530 0.6616 0.6475 0.0000 0.0414 -0.0166 361 PHE C CE1 +11508 C CE1 B PHE C 343 ? 0.7545 0.6635 0.6496 0.0001 0.0412 -0.0166 361 PHE C CE1 +11509 C CE2 A PHE C 343 ? 0.7053 0.6105 0.5929 -0.0034 0.0452 -0.0155 361 PHE C CE2 +11510 C CE2 B PHE C 343 ? 0.7048 0.6105 0.5930 -0.0032 0.0452 -0.0156 361 PHE C CE2 +11511 C CZ A PHE C 343 ? 0.7470 0.6517 0.6353 -0.0008 0.0437 -0.0166 361 PHE C CZ +11512 C CZ B PHE C 343 ? 0.7483 0.6534 0.6372 -0.0007 0.0437 -0.0166 361 PHE C CZ +11513 N N A ARG C 344 ? 0.6879 0.6152 0.5999 -0.0032 0.0490 -0.0171 362 ARG C N +11514 N N B ARG C 344 ? 0.6883 0.6159 0.6006 -0.0031 0.0491 -0.0171 362 ARG C N +11515 C CA A ARG C 344 ? 0.7027 0.6296 0.6122 -0.0025 0.0533 -0.0182 362 ARG C CA +11516 C CA B ARG C 344 ? 0.7030 0.6300 0.6126 -0.0024 0.0533 -0.0182 362 ARG C CA +11517 C C A ARG C 344 ? 0.7929 0.7145 0.6968 0.0002 0.0526 -0.0191 362 ARG C C +11518 C C B ARG C 344 ? 0.7955 0.7171 0.6994 0.0002 0.0526 -0.0191 362 ARG C C +11519 O O A ARG C 344 ? 0.7027 0.6246 0.6086 0.0025 0.0502 -0.0197 362 ARG C O +11520 O O B ARG C 344 ? 0.7024 0.6242 0.6082 0.0024 0.0501 -0.0196 362 ARG C O +11521 C CB A ARG C 344 ? 0.6675 0.6022 0.5847 -0.0018 0.0562 -0.0195 362 ARG C CB +11522 C CB B ARG C 344 ? 0.6661 0.6009 0.5834 -0.0017 0.0563 -0.0196 362 ARG C CB +11523 C CG A ARG C 344 ? 0.6434 0.5845 0.5679 -0.0041 0.0562 -0.0189 362 ARG C CG +11524 C CG B ARG C 344 ? 0.6416 0.5828 0.5661 -0.0040 0.0563 -0.0190 362 ARG C CG +11525 C CD A ARG C 344 ? 0.7235 0.6636 0.6456 -0.0074 0.0588 -0.0180 362 ARG C CD +11526 C CD B ARG C 344 ? 0.7232 0.6635 0.6455 -0.0073 0.0589 -0.0181 362 ARG C CD +11527 N NE A ARG C 344 ? 0.8797 0.8211 0.8010 -0.0075 0.0637 -0.0190 362 ARG C NE +11528 N NE B ARG C 344 ? 0.8829 0.8247 0.8047 -0.0074 0.0638 -0.0191 362 ARG C NE +11529 C CZ A ARG C 344 ? 0.8494 0.7979 0.7776 -0.0078 0.0666 -0.0202 362 ARG C CZ +11530 C CZ B ARG C 344 ? 0.8493 0.7983 0.7780 -0.0078 0.0667 -0.0202 362 ARG C CZ +11531 N NH1 A ARG C 344 ? 0.7917 0.7469 0.7281 -0.0079 0.0652 -0.0204 362 ARG C NH1 +11532 N NH1 B ARG C 344 ? 0.7902 0.7458 0.7270 -0.0082 0.0652 -0.0204 362 ARG C NH1 +11533 N NH2 A ARG C 344 ? 0.8862 0.8352 0.8130 -0.0078 0.0713 -0.0211 362 ARG C NH2 +11534 N NH2 B ARG C 344 ? 0.8864 0.8361 0.8139 -0.0079 0.0714 -0.0211 362 ARG C NH2 +11535 N N . GLY C 345 ? 0.7654 0.6818 0.6621 0.0000 0.0547 -0.0192 363 GLY C N +11536 C CA . GLY C 345 ? 0.7068 0.6178 0.5977 0.0025 0.0544 -0.0201 363 GLY C CA +11537 C C . GLY C 345 ? 0.6974 0.6051 0.5823 0.0025 0.0584 -0.0207 363 GLY C C +11538 O O . GLY C 345 ? 0.7775 0.6846 0.6602 0.0001 0.0604 -0.0199 363 GLY C O +11539 N N . PRO C 346 ? 0.7776 0.6828 0.6593 0.0052 0.0595 -0.0222 364 PRO C N +11540 C CA . PRO C 346 ? 0.7564 0.6591 0.6329 0.0054 0.0638 -0.0229 364 PRO C CA +11541 C C . PRO C 346 ? 0.8040 0.6999 0.6719 0.0036 0.0637 -0.0218 364 PRO C C +11542 O O . PRO C 346 ? 0.7467 0.6419 0.6116 0.0026 0.0676 -0.0218 364 PRO C O +11543 C CB . PRO C 346 ? 0.7385 0.6389 0.6127 0.0089 0.0639 -0.0246 364 PRO C CB +11544 C CG . PRO C 346 ? 0.7744 0.6739 0.6505 0.0101 0.0591 -0.0244 364 PRO C CG +11545 C CD . PRO C 346 ? 0.7131 0.6178 0.5961 0.0081 0.0571 -0.0232 364 PRO C CD +11546 N N A TRP C 347 ? 0.7402 0.6312 0.6040 0.0030 0.0596 -0.0208 365 TRP C N +11547 N N B TRP C 347 ? 0.7403 0.6312 0.6040 0.0030 0.0596 -0.0208 365 TRP C N +11548 C CA A TRP C 347 ? 0.7521 0.6367 0.6076 0.0015 0.0593 -0.0198 365 TRP C CA +11549 C CA B TRP C 347 ? 0.7512 0.6358 0.6067 0.0015 0.0592 -0.0198 365 TRP C CA +11550 C C A TRP C 347 ? 0.7513 0.6378 0.6082 -0.0016 0.0601 -0.0183 365 TRP C C +11551 C C B TRP C 347 ? 0.7503 0.6369 0.6073 -0.0016 0.0601 -0.0183 365 TRP C C +11552 O O A TRP C 347 ? 0.8716 0.7533 0.7218 -0.0028 0.0610 -0.0175 365 TRP C O +11553 O O B TRP C 347 ? 0.8750 0.7567 0.7252 -0.0028 0.0609 -0.0175 365 TRP C O +11554 C CB A TRP C 347 ? 0.7825 0.6616 0.6336 0.0019 0.0544 -0.0194 365 TRP C CB +11555 C CB B TRP C 347 ? 0.7827 0.6618 0.6338 0.0019 0.0544 -0.0194 365 TRP C CB +11556 C CG A TRP C 347 ? 0.7888 0.6711 0.6459 0.0010 0.0506 -0.0185 365 TRP C CG +11557 C CG B TRP C 347 ? 0.7897 0.6720 0.6468 0.0011 0.0505 -0.0185 365 TRP C CG +11558 C CD1 A TRP C 347 ? 0.7476 0.6328 0.6101 0.0026 0.0484 -0.0191 365 TRP C CD1 +11559 C CD1 B TRP C 347 ? 0.7476 0.6327 0.6099 0.0026 0.0484 -0.0191 365 TRP C CD1 +11560 C CD2 A TRP C 347 ? 0.7716 0.6545 0.6298 -0.0014 0.0485 -0.0168 365 TRP C CD2 +11561 C CD2 B TRP C 347 ? 0.7722 0.6550 0.6303 -0.0014 0.0483 -0.0168 365 TRP C CD2 +11562 N NE1 A TRP C 347 ? 0.7546 0.6420 0.6212 0.0011 0.0452 -0.0179 365 TRP C NE1 +11563 N NE1 B TRP C 347 ? 0.7549 0.6421 0.6213 0.0012 0.0451 -0.0179 365 TRP C NE1 +11564 C CE2 A TRP C 347 ? 0.7904 0.6765 0.6546 -0.0013 0.0451 -0.0165 365 TRP C CE2 +11565 C CE2 B TRP C 347 ? 0.7909 0.6769 0.6550 -0.0013 0.0450 -0.0165 365 TRP C CE2 +11566 C CE3 A TRP C 347 ? 0.7424 0.6230 0.5967 -0.0036 0.0491 -0.0155 365 TRP C CE3 +11567 C CE3 B TRP C 347 ? 0.7423 0.6227 0.5965 -0.0036 0.0488 -0.0155 365 TRP C CE3 +11568 C CZ2 A TRP C 347 ? 0.7399 0.6274 0.6066 -0.0034 0.0425 -0.0150 365 TRP C CZ2 +11569 C CZ2 B TRP C 347 ? 0.7406 0.6279 0.6072 -0.0033 0.0423 -0.0150 365 TRP C CZ2 +11570 C CZ3 A TRP C 347 ? 0.7052 0.5871 0.5620 -0.0056 0.0464 -0.0140 365 TRP C CZ3 +11571 C CZ3 B TRP C 347 ? 0.7040 0.5857 0.5608 -0.0055 0.0460 -0.0140 365 TRP C CZ3 +11572 C CH2 A TRP C 347 ? 0.7485 0.6338 0.6114 -0.0055 0.0432 -0.0138 365 TRP C CH2 +11573 C CH2 B TRP C 347 ? 0.7477 0.6329 0.6106 -0.0053 0.0429 -0.0138 365 TRP C CH2 +11574 N N A LEU C 348 ? 0.7746 0.6678 0.6400 -0.0027 0.0600 -0.0178 366 LEU C N +11575 N N B LEU C 348 ? 0.7754 0.6686 0.6407 -0.0027 0.0600 -0.0178 366 LEU C N +11576 C CA A LEU C 348 ? 0.7320 0.6270 0.5991 -0.0056 0.0604 -0.0163 366 LEU C CA +11577 C CA B LEU C 348 ? 0.7313 0.6264 0.5985 -0.0056 0.0603 -0.0163 366 LEU C CA +11578 C C A LEU C 348 ? 0.7447 0.6447 0.6159 -0.0068 0.0652 -0.0167 366 LEU C C +11579 C C B LEU C 348 ? 0.7445 0.6447 0.6160 -0.0069 0.0651 -0.0166 366 LEU C C +11580 O O A LEU C 348 ? 0.7577 0.6564 0.6263 -0.0091 0.0671 -0.0156 366 LEU C O +11581 O O B LEU C 348 ? 0.7573 0.6565 0.6267 -0.0093 0.0668 -0.0156 366 LEU C O +11582 C CB A LEU C 348 ? 0.7571 0.6558 0.6305 -0.0064 0.0565 -0.0155 366 LEU C CB +11583 C CB B LEU C 348 ? 0.7572 0.6558 0.6306 -0.0063 0.0564 -0.0155 366 LEU C CB +11584 C CG A LEU C 348 ? 0.7314 0.6318 0.6069 -0.0093 0.0562 -0.0139 366 LEU C CG +11585 C CG B LEU C 348 ? 0.7307 0.6310 0.6062 -0.0093 0.0560 -0.0139 366 LEU C CG +11586 C CD1 A LEU C 348 ? 0.7093 0.6029 0.5763 -0.0106 0.0559 -0.0128 366 LEU C CD1 +11587 C CD1 B LEU C 348 ? 0.7086 0.6022 0.5757 -0.0106 0.0557 -0.0127 366 LEU C CD1 +11588 C CD2 A LEU C 348 ? 0.7294 0.6333 0.6109 -0.0098 0.0523 -0.0132 366 LEU C CD2 +11589 C CD2 B LEU C 348 ? 0.7291 0.6325 0.6102 -0.0096 0.0519 -0.0132 366 LEU C CD2 +11590 N N . GLU C 349 ? 0.7420 0.6476 0.6192 -0.0053 0.0672 -0.0181 367 GLU C N +11591 C CA . GLU C 349 ? 0.7459 0.6574 0.6284 -0.0066 0.0716 -0.0186 367 GLU C CA +11592 C C . GLU C 349 ? 0.8144 0.7227 0.6909 -0.0078 0.0762 -0.0185 367 GLU C C +11593 O O . GLU C 349 ? 0.8758 0.7877 0.7555 -0.0102 0.0792 -0.0181 367 GLU C O +11594 C CB . GLU C 349 ? 0.6817 0.5995 0.5712 -0.0042 0.0728 -0.0204 367 GLU C CB +11595 C CG . GLU C 349 ? 0.7282 0.6497 0.6240 -0.0030 0.0687 -0.0205 367 GLU C CG +11596 C CD . GLU C 349 ? 0.8867 0.8110 0.7868 -0.0056 0.0663 -0.0190 367 GLU C CD +11597 O OE1 . GLU C 349 ? 0.8320 0.7611 0.7368 -0.0077 0.0687 -0.0189 367 GLU C OE1 +11598 O OE2 . GLU C 349 ? 0.7533 0.6747 0.6520 -0.0055 0.0619 -0.0181 367 GLU C OE2 +11599 N N . PRO C 350 ? 0.8092 0.7107 0.6770 -0.0065 0.0771 -0.0188 368 PRO C N +11600 C CA . PRO C 350 ? 0.7232 0.6212 0.5848 -0.0079 0.0814 -0.0185 368 PRO C CA +11601 C C . PRO C 350 ? 0.8836 0.7794 0.7428 -0.0111 0.0812 -0.0166 368 PRO C C +11602 O O . PRO C 350 ? 0.8697 0.7646 0.7263 -0.0129 0.0854 -0.0163 368 PRO C O +11603 C CB . PRO C 350 ? 0.7995 0.6897 0.6514 -0.0058 0.0809 -0.0190 368 PRO C CB +11604 C CG . PRO C 350 ? 0.7509 0.6429 0.6062 -0.0028 0.0784 -0.0204 368 PRO C CG +11605 C CD . PRO C 350 ? 0.7677 0.6654 0.6316 -0.0034 0.0749 -0.0198 368 PRO C CD +11606 N N . LEU C 351 ? 0.8410 0.7358 0.7008 -0.0119 0.0767 -0.0154 369 LEU C N +11607 C CA . LEU C 351 ? 0.8261 0.7187 0.6837 -0.0148 0.0763 -0.0136 369 LEU C CA +11608 C C . LEU C 351 ? 0.7400 0.6397 0.6063 -0.0170 0.0773 -0.0133 369 LEU C C +11609 O O . LEU C 351 ? 0.7896 0.6880 0.6548 -0.0195 0.0771 -0.0118 369 LEU C O +11610 C CB . LEU C 351 ? 0.7869 0.6748 0.6405 -0.0145 0.0710 -0.0124 369 LEU C CB +11611 C CG . LEU C 351 ? 0.9088 0.7894 0.7535 -0.0125 0.0696 -0.0128 369 LEU C CG +11612 C CD1 . LEU C 351 ? 0.8113 0.6882 0.6532 -0.0124 0.0642 -0.0118 369 LEU C CD1 +11613 C CD2 . LEU C 351 ? 0.8987 0.7737 0.7347 -0.0131 0.0734 -0.0125 369 LEU C CD2 +11614 N N . ARG C 352 ? 0.7816 0.6887 0.6565 -0.0162 0.0783 -0.0146 370 ARG C N +11615 C CA . ARG C 352 ? 0.8691 0.7835 0.7532 -0.0180 0.0785 -0.0145 370 ARG C CA +11616 C C . ARG C 352 ? 0.8552 0.7728 0.7412 -0.0200 0.0841 -0.0149 370 ARG C C +11617 O O . ARG C 352 ? 0.9257 0.8440 0.8109 -0.0189 0.0878 -0.0162 370 ARG C O +11618 C CB . ARG C 352 ? 0.9149 0.8356 0.8071 -0.0158 0.0764 -0.0158 370 ARG C CB +11619 C CG . ARG C 352 ? 0.8596 0.7874 0.7611 -0.0172 0.0749 -0.0156 370 ARG C CG +11620 C CD . ARG C 352 ? 0.8401 0.7665 0.7421 -0.0171 0.0695 -0.0145 370 ARG C CD +11621 N NE . ARG C 352 ? 0.7772 0.7030 0.6795 -0.0141 0.0662 -0.0152 370 ARG C NE +11622 C CZ . ARG C 352 ? 0.7363 0.6595 0.6375 -0.0136 0.0616 -0.0143 370 ARG C CZ +11623 N NH1 . ARG C 352 ? 0.7470 0.6686 0.6472 -0.0158 0.0596 -0.0128 370 ARG C NH1 +11624 N NH2 . ARG C 352 ? 0.6479 0.5701 0.5489 -0.0110 0.0590 -0.0150 370 ARG C NH2 +11625 N N . GLY C 353 ? 0.8540 0.7732 0.7424 -0.0231 0.0848 -0.0139 371 GLY C N +11626 C CA . GLY C 353 ? 0.7939 0.7170 0.6856 -0.0254 0.0898 -0.0143 371 GLY C CA +11627 C C . GLY C 353 ? 0.7714 0.7032 0.6739 -0.0267 0.0891 -0.0149 371 GLY C C +11628 O O . GLY C 353 ? 0.8158 0.7502 0.7227 -0.0255 0.0848 -0.0149 371 GLY C O +11629 N N . PRO C 354 ? 1.0382 0.9744 0.9450 -0.0292 0.0933 -0.0153 372 PRO C N +11630 C CA . PRO C 354 ? 0.9184 0.8631 0.8357 -0.0306 0.0926 -0.0159 372 PRO C CA +11631 C C . PRO C 354 ? 0.8749 0.8186 0.7932 -0.0319 0.0881 -0.0145 372 PRO C C +11632 O O . PRO C 354 ? 0.8545 0.8044 0.7807 -0.0315 0.0855 -0.0150 372 PRO C O +11633 C CB . PRO C 354 ? 1.0014 0.9487 0.9205 -0.0339 0.0982 -0.0162 372 PRO C CB +11634 C CG . PRO C 354 ? 0.9968 0.9387 0.9080 -0.0332 0.1021 -0.0163 372 PRO C CG +11635 C CD . PRO C 354 ? 0.8338 0.7670 0.7356 -0.0312 0.0987 -0.0151 372 PRO C CD +11636 N N . ASN C 355 ? 0.8112 0.7473 0.7216 -0.0332 0.0869 -0.0126 373 ASN C N +11637 C CA . ASN C 355 ? 0.7787 0.7135 0.6896 -0.0343 0.0828 -0.0113 373 ASN C CA +11638 C C . ASN C 355 ? 0.9030 0.8339 0.8104 -0.0317 0.0777 -0.0106 373 ASN C C +11639 O O . ASN C 355 ? 0.7511 0.6793 0.6569 -0.0325 0.0743 -0.0093 373 ASN C O +11640 C CB . ASN C 355 ? 0.6835 0.6125 0.5880 -0.0373 0.0844 -0.0096 373 ASN C CB +11641 C CG . ASN C 355 ? 0.9437 0.8771 0.8532 -0.0407 0.0884 -0.0100 373 ASN C CG +11642 O OD1 . ASN C 355 ? 0.9644 0.9058 0.8825 -0.0408 0.0898 -0.0115 373 ASN C OD1 +11643 N ND2 . ASN C 355 ? 1.1379 1.0661 1.0418 -0.0434 0.0903 -0.0086 373 ASN C ND2 +11644 N N . GLY C 356 ? 0.7521 0.6825 0.6581 -0.0287 0.0771 -0.0116 374 GLY C N +11645 C CA . GLY C 356 ? 0.7613 0.6872 0.6632 -0.0264 0.0727 -0.0111 374 GLY C CA +11646 C C . GLY C 356 ? 0.7882 0.7058 0.6797 -0.0256 0.0736 -0.0105 374 GLY C C +11647 O O . GLY C 356 ? 0.8296 0.7457 0.7177 -0.0259 0.0778 -0.0110 374 GLY C O +11648 N N . LEU C 357 ? 0.7009 0.6132 0.5873 -0.0246 0.0695 -0.0095 375 LEU C N +11649 C CA . LEU C 357 ? 0.7720 0.6764 0.6484 -0.0238 0.0696 -0.0090 375 LEU C CA +11650 C C . LEU C 357 ? 0.8060 0.7066 0.6769 -0.0261 0.0734 -0.0081 375 LEU C C +11651 O O . LEU C 357 ? 0.8451 0.7457 0.7168 -0.0285 0.0734 -0.0070 375 LEU C O +11652 C CB . LEU C 357 ? 0.7856 0.6854 0.6581 -0.0231 0.0645 -0.0079 375 LEU C CB +11653 C CG . LEU C 357 ? 0.8984 0.8005 0.7747 -0.0207 0.0607 -0.0087 375 LEU C CG +11654 C CD1 . LEU C 357 ? 0.7562 0.6535 0.6282 -0.0201 0.0560 -0.0077 375 LEU C CD1 +11655 C CD2 . LEU C 357 ? 0.9048 0.8069 0.7801 -0.0182 0.0625 -0.0103 375 LEU C CD2 +11656 N N . ASP C 358 ? 0.9839 0.8811 0.8493 -0.0253 0.0768 -0.0087 376 ASP C N +11657 C CA . ASP C 358 ? 0.7615 0.6550 0.6214 -0.0273 0.0812 -0.0081 376 ASP C CA +11658 C C . ASP C 358 ? 0.7596 0.6440 0.6086 -0.0270 0.0796 -0.0068 376 ASP C C +11659 O O . ASP C 358 ? 0.8270 0.7072 0.6703 -0.0247 0.0786 -0.0073 376 ASP C O +11660 C CB . ASP C 358 ? 1.0159 0.9114 0.8761 -0.0267 0.0862 -0.0095 376 ASP C CB +11661 C CG . ASP C 358 ? 0.8958 0.7891 0.7524 -0.0293 0.0912 -0.0089 376 ASP C CG +11662 O OD1 . ASP C 358 ? 0.9209 0.8064 0.7681 -0.0298 0.0914 -0.0077 376 ASP C OD1 +11663 O OD2 . ASP C 358 ? 1.3119 1.2113 1.1751 -0.0309 0.0948 -0.0097 376 ASP C OD2 +11664 N N . LEU C 359 ? 0.7352 0.6164 0.5811 -0.0292 0.0796 -0.0052 377 LEU C N +11665 C CA . LEU C 359 ? 0.7585 0.6312 0.5944 -0.0288 0.0776 -0.0039 377 LEU C CA +11666 C C . LEU C 359 ? 0.9579 0.8247 0.7848 -0.0280 0.0810 -0.0042 377 LEU C C +11667 O O . LEU C 359 ? 0.9213 0.7817 0.7403 -0.0263 0.0787 -0.0038 377 LEU C O +11668 C CB . LEU C 359 ? 0.9045 0.7754 0.7394 -0.0314 0.0774 -0.0022 377 LEU C CB +11669 C CG . LEU C 359 ? 0.9593 0.8219 0.7846 -0.0310 0.0748 -0.0007 377 LEU C CG +11670 C CD1 . LEU C 359 ? 0.8801 0.7422 0.7054 -0.0286 0.0692 -0.0009 377 LEU C CD1 +11671 C CD2 . LEU C 359 ? 0.8493 0.7109 0.6747 -0.0335 0.0748 0.0008 377 LEU C CD2 +11672 N N . ASN C 360 ? 0.8746 0.7432 0.7025 -0.0291 0.0864 -0.0048 378 ASN C N +11673 C CA . ASN C 360 ? 0.9321 0.7951 0.7514 -0.0283 0.0900 -0.0051 378 ASN C CA +11674 C C . ASN C 360 ? 0.8248 0.6875 0.6428 -0.0251 0.0887 -0.0065 378 ASN C C +11675 O O . ASN C 360 ? 0.8384 0.6941 0.6470 -0.0236 0.0884 -0.0064 378 ASN C O +11676 C CB . ASN C 360 ? 0.8876 0.7534 0.7091 -0.0304 0.0962 -0.0055 378 ASN C CB +11677 C CG . ASN C 360 ? 1.3963 1.2589 1.2147 -0.0335 0.0982 -0.0039 378 ASN C CG +11678 O OD1 . ASN C 360 ? 1.0825 0.9372 0.8916 -0.0335 0.0973 -0.0025 378 ASN C OD1 +11679 N ND2 . ASN C 360 ? 1.1945 1.0633 1.0209 -0.0361 0.1008 -0.0040 378 ASN C ND2 +11680 N N . LYS C 361 ? 0.8376 0.7075 0.6644 -0.0241 0.0880 -0.0080 379 LYS C N +11681 C CA . LYS C 361 ? 0.8606 0.7303 0.6867 -0.0210 0.0863 -0.0094 379 LYS C CA +11682 C C . LYS C 361 ? 0.8129 0.6777 0.6344 -0.0195 0.0807 -0.0088 379 LYS C C +11683 O O . LYS C 361 ? 0.8264 0.6864 0.6415 -0.0173 0.0796 -0.0094 379 LYS C O +11684 C CB . LYS C 361 ? 0.7557 0.6341 0.5926 -0.0202 0.0864 -0.0108 379 LYS C CB +11685 C CG . LYS C 361 ? 0.9042 0.7873 0.7450 -0.0209 0.0921 -0.0120 379 LYS C CG +11686 C CD . LYS C 361 ? 0.8739 0.7663 0.7262 -0.0203 0.0920 -0.0133 379 LYS C CD +11687 C CE . LYS C 361 ? 1.0073 0.9047 0.8637 -0.0212 0.0979 -0.0144 379 LYS C CE +11688 N NZ . LYS C 361 ? 1.2127 1.1200 1.0813 -0.0217 0.0980 -0.0154 379 LYS C NZ +11689 N N . ILE C 362 ? 0.9112 0.7773 0.7360 -0.0206 0.0770 -0.0076 380 ILE C N +11690 C CA . ILE C 362 ? 0.9175 0.7795 0.7384 -0.0194 0.0716 -0.0070 380 ILE C CA +11691 C C . ILE C 362 ? 0.8932 0.7464 0.7027 -0.0192 0.0716 -0.0062 380 ILE C C +11692 O O . ILE C 362 ? 0.8402 0.6889 0.6442 -0.0173 0.0686 -0.0065 380 ILE C O +11693 C CB . ILE C 362 ? 0.8764 0.7417 0.7031 -0.0209 0.0682 -0.0059 380 ILE C CB +11694 C CG1 . ILE C 362 ? 0.8508 0.7235 0.6876 -0.0202 0.0664 -0.0069 380 ILE C CG1 +11695 C CG2 . ILE C 362 ? 0.6879 0.5476 0.5088 -0.0204 0.0635 -0.0048 380 ILE C CG2 +11696 C CD1 . ILE C 362 ? 0.9944 0.8711 0.8376 -0.0219 0.0639 -0.0058 380 ILE C CD1 +11697 N N . LYS C 363 ? 0.8696 0.7201 0.6750 -0.0211 0.0750 -0.0051 381 LYS C N +11698 C CA . LYS C 363 ? 0.8130 0.6549 0.6071 -0.0209 0.0751 -0.0042 381 LYS C CA +11699 C C . LYS C 363 ? 0.9013 0.7388 0.6883 -0.0190 0.0775 -0.0053 381 LYS C C +11700 O O . LYS C 363 ? 0.9750 0.8055 0.7529 -0.0178 0.0757 -0.0050 381 LYS C O +11701 C CB . LYS C 363 ? 0.8598 0.6997 0.6515 -0.0234 0.0783 -0.0027 381 LYS C CB +11702 C CG . LYS C 363 ? 0.9082 0.7494 0.7033 -0.0250 0.0752 -0.0013 381 LYS C CG +11703 C CD . LYS C 363 ? 1.0696 0.9087 0.8623 -0.0276 0.0788 0.0000 381 LYS C CD +11704 C CE . LYS C 363 ? 1.0256 0.8606 0.8146 -0.0282 0.0752 0.0017 381 LYS C CE +11705 N NZ . LYS C 363 ? 1.2236 1.0553 1.0090 -0.0306 0.0785 0.0031 381 LYS C NZ +11706 N N . ASN C 364 ? 0.8726 0.7142 0.6637 -0.0187 0.0814 -0.0066 382 ASN C N +11707 C CA . ASN C 364 ? 0.9332 0.7705 0.7170 -0.0173 0.0848 -0.0076 382 ASN C CA +11708 C C . ASN C 364 ? 1.0556 0.8956 0.8423 -0.0148 0.0847 -0.0095 382 ASN C C +11709 O O . ASN C 364 ? 0.9917 0.8266 0.7708 -0.0130 0.0856 -0.0103 382 ASN C O +11710 C CB . ASN C 364 ? 0.9528 0.7907 0.7361 -0.0192 0.0911 -0.0073 382 ASN C CB +11711 C CG . ASN C 364 ? 1.0301 0.8641 0.8091 -0.0216 0.0917 -0.0054 382 ASN C CG +11712 O OD1 . ASN C 364 ? 1.0855 0.9116 0.8546 -0.0211 0.0904 -0.0044 382 ASN C OD1 +11713 N ND2 . ASN C 364 ? 1.0068 0.8460 0.7930 -0.0242 0.0937 -0.0048 382 ASN C ND2 +11714 N N . ASP C 365 ? 0.8547 0.7024 0.6518 -0.0146 0.0836 -0.0104 383 ASP C N +11715 C CA . ASP C 365 ? 0.8944 0.7454 0.6950 -0.0124 0.0848 -0.0123 383 ASP C CA +11716 C C . ASP C 365 ? 0.9916 0.8433 0.7946 -0.0103 0.0796 -0.0131 383 ASP C C +11717 O O . ASP C 365 ? 0.8996 0.7549 0.7070 -0.0085 0.0801 -0.0146 383 ASP C O +11718 C CB . ASP C 365 ? 0.8711 0.7307 0.6817 -0.0134 0.0885 -0.0130 383 ASP C CB +11719 C CG . ASP C 365 ? 1.1249 0.9843 0.9338 -0.0157 0.0940 -0.0125 383 ASP C CG +11720 O OD1 . ASP C 365 ? 1.2371 1.0892 1.0362 -0.0162 0.0954 -0.0116 383 ASP C OD1 +11721 O OD2 . ASP C 365 ? 1.2434 1.1100 1.0606 -0.0169 0.0970 -0.0130 383 ASP C OD2 +11722 N N . ILE C 366 ? 0.8456 0.6941 0.6461 -0.0105 0.0747 -0.0121 384 ILE C N +11723 C CA . ILE C 366 ? 0.9127 0.7619 0.7157 -0.0088 0.0699 -0.0128 384 ILE C CA +11724 C C . ILE C 366 ? 0.9114 0.7546 0.7064 -0.0064 0.0694 -0.0140 384 ILE C C +11725 O O . ILE C 366 ? 0.8996 0.7359 0.6854 -0.0064 0.0687 -0.0134 384 ILE C O +11726 C CB . ILE C 366 ? 0.9518 0.8003 0.7556 -0.0098 0.0649 -0.0114 384 ILE C CB +11727 C CG1 . ILE C 366 ? 0.9737 0.8290 0.7867 -0.0118 0.0650 -0.0106 384 ILE C CG1 +11728 C CG2 . ILE C 366 ? 0.7926 0.6405 0.5972 -0.0080 0.0602 -0.0123 384 ILE C CG2 +11729 C CD1 . ILE C 366 ? 0.9166 0.7709 0.7299 -0.0131 0.0608 -0.0090 384 ILE C CD1 +11730 N N . GLN C 367 ? 0.8439 0.6894 0.6420 -0.0044 0.0696 -0.0156 385 GLN C N +11731 C CA . GLN C 367 ? 0.8979 0.7385 0.6895 -0.0020 0.0695 -0.0171 385 GLN C CA +11732 C C . GLN C 367 ? 0.9921 0.8300 0.7825 -0.0009 0.0638 -0.0173 385 GLN C C +11733 O O . GLN C 367 ? 0.8458 0.6876 0.6430 -0.0015 0.0605 -0.0169 385 GLN C O +11734 C CB . GLN C 367 ? 0.8386 0.6834 0.6348 -0.0003 0.0729 -0.0188 385 GLN C CB +11735 C CG . GLN C 367 ? 0.9631 0.8117 0.7620 -0.0015 0.0787 -0.0187 385 GLN C CG +11736 C CD . GLN C 367 ? 1.1288 0.9711 0.9180 -0.0022 0.0818 -0.0181 385 GLN C CD +11737 O OE1 . GLN C 367 ? 1.2984 1.1342 1.0790 -0.0006 0.0818 -0.0188 385 GLN C OE1 +11738 N NE2 . GLN C 367 ? 1.3093 1.1530 1.0994 -0.0047 0.0845 -0.0167 385 GLN C NE2 +11739 N N . PRO C 368 ? 0.8858 0.7168 0.6674 0.0005 0.0625 -0.0181 386 PRO C N +11740 C CA . PRO C 368 ? 0.8328 0.6609 0.6129 0.0014 0.0572 -0.0185 386 PRO C CA +11741 C C . PRO C 368 ? 0.8583 0.6910 0.6462 0.0026 0.0554 -0.0195 386 PRO C C +11742 O O . PRO C 368 ? 0.7686 0.6016 0.5589 0.0023 0.0509 -0.0193 386 PRO C O +11743 C CB . PRO C 368 ? 0.8386 0.6591 0.6081 0.0031 0.0575 -0.0196 386 PRO C CB +11744 C CG . PRO C 368 ? 0.8121 0.6300 0.5758 0.0021 0.0615 -0.0187 386 PRO C CG +11745 C CD . PRO C 368 ? 0.8013 0.6262 0.5731 0.0010 0.0657 -0.0183 386 PRO C CD +11746 N N . TRP C 369 ? 0.7361 0.5724 0.5279 0.0039 0.0589 -0.0207 387 TRP C N +11747 C CA . TRP C 369 ? 0.8259 0.6662 0.6247 0.0052 0.0570 -0.0217 387 TRP C CA +11748 C C . TRP C 369 ? 0.9397 0.7864 0.7477 0.0036 0.0551 -0.0205 387 TRP C C +11749 O O . TRP C 369 ? 0.8613 0.7099 0.6740 0.0042 0.0519 -0.0208 387 TRP C O +11750 C CB . TRP C 369 ? 0.7420 0.5849 0.5431 0.0072 0.0611 -0.0232 387 TRP C CB +11751 C CG . TRP C 369 ? 0.9154 0.7649 0.7229 0.0062 0.0655 -0.0228 387 TRP C CG +11752 C CD1 . TRP C 369 ? 0.8220 0.6709 0.6262 0.0055 0.0701 -0.0227 387 TRP C CD1 +11753 C CD2 . TRP C 369 ? 0.8907 0.7482 0.7087 0.0058 0.0656 -0.0227 387 TRP C CD2 +11754 N NE1 . TRP C 369 ? 0.8716 0.7278 0.6840 0.0045 0.0732 -0.0224 387 TRP C NE1 +11755 C CE2 . TRP C 369 ? 0.8536 0.7153 0.6746 0.0047 0.0704 -0.0225 387 TRP C CE2 +11756 C CE3 . TRP C 369 ? 0.8636 0.7249 0.6887 0.0062 0.0622 -0.0227 387 TRP C CE3 +11757 C CZ2 . TRP C 369 ? 0.9216 0.7916 0.7526 0.0040 0.0717 -0.0224 387 TRP C CZ2 +11758 C CZ3 . TRP C 369 ? 0.8074 0.6766 0.6420 0.0057 0.0634 -0.0226 387 TRP C CZ3 +11759 C CH2 . TRP C 369 ? 0.8944 0.7680 0.7321 0.0047 0.0681 -0.0225 387 TRP C CH2 +11760 N N . GLN C 370 ? 0.7897 0.6394 0.6002 0.0015 0.0570 -0.0191 388 GLN C N +11761 C CA . GLN C 370 ? 0.8063 0.6617 0.6250 -0.0002 0.0551 -0.0179 388 GLN C CA +11762 C C . GLN C 370 ? 0.7486 0.6012 0.5653 -0.0013 0.0502 -0.0168 388 GLN C C +11763 O O . GLN C 370 ? 0.8082 0.6640 0.6308 -0.0015 0.0471 -0.0165 388 GLN C O +11764 C CB . GLN C 370 ? 0.7003 0.5596 0.5221 -0.0021 0.0588 -0.0170 388 GLN C CB +11765 C CG . GLN C 370 ? 0.7937 0.6579 0.6201 -0.0014 0.0633 -0.0181 388 GLN C CG +11766 C CD . GLN C 370 ? 0.9227 0.7890 0.7497 -0.0034 0.0675 -0.0172 388 GLN C CD +11767 O OE1 . GLN C 370 ? 0.8950 0.7562 0.7143 -0.0040 0.0696 -0.0168 388 GLN C OE1 +11768 N NE2 . GLN C 370 ? 0.8665 0.7400 0.7024 -0.0046 0.0688 -0.0170 388 GLN C NE2 +11769 N N . GLU C 371 ? 0.7431 0.5897 0.5516 -0.0018 0.0495 -0.0162 389 GLU C N +11770 C CA . GLU C 371 ? 0.7673 0.6109 0.5733 -0.0025 0.0447 -0.0155 389 GLU C CA +11771 C C . GLU C 371 ? 0.7579 0.6001 0.5644 -0.0011 0.0411 -0.0166 389 GLU C C +11772 O O . GLU C 371 ? 0.8781 0.7219 0.6883 -0.0018 0.0373 -0.0160 389 GLU C O +11773 C CB . GLU C 371 ? 0.7483 0.5852 0.5445 -0.0029 0.0447 -0.0150 389 GLU C CB +11774 C CG . GLU C 371 ? 0.8636 0.6971 0.6567 -0.0032 0.0395 -0.0145 389 GLU C CG +11775 C CD . GLU C 371 ? 0.9963 0.8239 0.7804 -0.0037 0.0390 -0.0138 389 GLU C CD +11776 O OE1 . GLU C 371 ? 0.8529 0.6783 0.6324 -0.0037 0.0429 -0.0135 389 GLU C OE1 +11777 O OE2 . GLU C 371 ? 0.9383 0.7633 0.7199 -0.0039 0.0348 -0.0134 389 GLU C OE2 +11778 N N . ARG C 372 ? 0.8304 0.6695 0.6330 0.0009 0.0423 -0.0182 390 ARG C N +11779 C CA . ARG C 372 ? 0.8375 0.6750 0.6403 0.0023 0.0393 -0.0194 390 ARG C CA +11780 C C . ARG C 372 ? 0.8066 0.6500 0.6187 0.0025 0.0384 -0.0194 390 ARG C C +11781 O O . ARG C 372 ? 0.7432 0.5867 0.5577 0.0023 0.0346 -0.0193 390 ARG C O +11782 C CB . ARG C 372 ? 0.7758 0.6095 0.5735 0.0046 0.0415 -0.0212 390 ARG C CB +11783 C CG . ARG C 372 ? 1.0143 0.8405 0.8017 0.0051 0.0410 -0.0218 390 ARG C CG +11784 C CD . ARG C 372 ? 1.0088 0.8314 0.7923 0.0076 0.0419 -0.0238 390 ARG C CD +11785 N NE . ARG C 372 ? 0.8127 0.6379 0.5980 0.0089 0.0469 -0.0246 390 ARG C NE +11786 C CZ . ARG C 372 ? 0.9628 0.7863 0.7432 0.0090 0.0508 -0.0246 390 ARG C CZ +11787 N NH1 . ARG C 372 ? 0.8014 0.6203 0.5746 0.0080 0.0505 -0.0238 390 ARG C NH1 +11788 N NH2 . ARG C 372 ? 0.9302 0.7565 0.7129 0.0103 0.0553 -0.0254 390 ARG C NH2 +11789 N N A ARG C 373 ? 0.7741 0.6226 0.5915 0.0030 0.0421 -0.0196 391 ARG C N +11790 N N B ARG C 373 ? 0.7730 0.6217 0.5907 0.0028 0.0419 -0.0195 391 ARG C N +11791 C CA A ARG C 373 ? 0.7353 0.5895 0.5614 0.0034 0.0412 -0.0197 391 ARG C CA +11792 C CA B ARG C 373 ? 0.7371 0.5915 0.5635 0.0032 0.0411 -0.0196 391 ARG C CA +11793 C C A ARG C 373 ? 0.8458 0.7031 0.6768 0.0013 0.0382 -0.0181 391 ARG C C +11794 C C B ARG C 373 ? 0.8444 0.7018 0.6756 0.0012 0.0380 -0.0180 391 ARG C C +11795 O O A ARG C 373 ? 0.7422 0.6011 0.5775 0.0015 0.0353 -0.0181 391 ARG C O +11796 O O B ARG C 373 ? 0.7407 0.5993 0.5757 0.0014 0.0349 -0.0180 391 ARG C O +11797 C CB A ARG C 373 ? 0.8278 0.6873 0.6589 0.0041 0.0457 -0.0202 391 ARG C CB +11798 C CB B ARG C 373 ? 0.8278 0.6877 0.6595 0.0039 0.0454 -0.0201 391 ARG C CB +11799 C CG A ARG C 373 ? 0.7779 0.6431 0.6174 0.0052 0.0452 -0.0207 391 ARG C CG +11800 C CG B ARG C 373 ? 0.9423 0.8019 0.7741 0.0067 0.0470 -0.0219 391 ARG C CG +11801 C CD A ARG C 373 ? 0.8565 0.7187 0.6942 0.0079 0.0442 -0.0223 391 ARG C CD +11802 C CD B ARG C 373 ? 0.8820 0.7417 0.7169 0.0078 0.0433 -0.0223 391 ARG C CD +11803 N NE A ARG C 373 ? 0.8830 0.7438 0.7174 0.0098 0.0480 -0.0238 391 ARG C NE +11804 N NE B ARG C 373 ? 0.9929 0.8500 0.8255 0.0106 0.0441 -0.0241 391 ARG C NE +11805 C CZ A ARG C 373 ? 1.0972 0.9632 0.9365 0.0109 0.0517 -0.0245 391 ARG C CZ +11806 C CZ B ARG C 373 ? 1.1790 1.0293 1.0040 0.0115 0.0430 -0.0250 391 ARG C CZ +11807 N NH1 A ARG C 373 ? 0.8266 0.6997 0.6744 0.0101 0.0520 -0.0239 391 ARG C NH1 +11808 N NH1 B ARG C 373 ? 1.4308 1.2788 1.2544 0.0141 0.0432 -0.0266 391 ARG C NH1 +11809 N NH2 A ARG C 373 ? 1.2476 1.1119 1.0833 0.0128 0.0550 -0.0259 391 ARG C NH2 +11810 N NH2 B ARG C 373 ? 0.9999 0.8454 0.8185 0.0100 0.0415 -0.0244 391 ARG C NH2 +11811 N N A ALA C 374 ? 0.7465 0.6044 0.5767 -0.0007 0.0389 -0.0167 392 ALA C N +11812 N N B ALA C 374 ? 0.7463 0.6046 0.5770 -0.0008 0.0388 -0.0167 392 ALA C N +11813 C CA A ALA C 374 ? 0.7801 0.6411 0.6150 -0.0026 0.0363 -0.0153 392 ALA C CA +11814 C CA B ALA C 374 ? 0.7813 0.6425 0.6166 -0.0026 0.0361 -0.0152 392 ALA C CA +11815 C C A ALA C 374 ? 0.7665 0.6238 0.5987 -0.0029 0.0316 -0.0149 392 ALA C C +11816 C C B ALA C 374 ? 0.7679 0.6252 0.6001 -0.0030 0.0315 -0.0149 392 ALA C C +11817 O O A ALA C 374 ? 0.7401 0.6001 0.5773 -0.0036 0.0288 -0.0143 392 ALA C O +11818 O O B ALA C 374 ? 0.7414 0.6014 0.5786 -0.0037 0.0286 -0.0143 392 ALA C O +11819 C CB A ALA C 374 ? 0.7098 0.5717 0.5439 -0.0045 0.0383 -0.0139 392 ALA C CB +11820 C CB B ALA C 374 ? 0.7085 0.5707 0.5431 -0.0046 0.0381 -0.0139 392 ALA C CB +11821 N N . ALA C 375 ? 0.7442 0.5954 0.5684 -0.0025 0.0307 -0.0154 393 ALA C N +11822 C CA . ALA C 375 ? 0.6770 0.5247 0.4985 -0.0029 0.0262 -0.0154 393 ALA C CA +11823 C C . ALA C 375 ? 0.7726 0.6205 0.5968 -0.0017 0.0242 -0.0164 393 ALA C C +11824 O O . ALA C 375 ? 0.7485 0.5967 0.5751 -0.0025 0.0207 -0.0160 393 ALA C O +11825 C CB . ALA C 375 ? 0.6370 0.4782 0.4491 -0.0025 0.0259 -0.0158 393 ALA C CB +11826 N N A GLU C 376 ? 0.7600 0.6074 0.5839 0.0002 0.0265 -0.0178 394 GLU C N +11827 N N B GLU C 376 ? 0.7610 0.6085 0.5850 0.0002 0.0265 -0.0178 394 GLU C N +11828 C CA A GLU C 376 ? 0.7378 0.5851 0.5641 0.0015 0.0249 -0.0188 394 GLU C CA +11829 C CA B GLU C 376 ? 0.7374 0.5847 0.5638 0.0015 0.0248 -0.0188 394 GLU C CA +11830 C C A GLU C 376 ? 0.7705 0.6237 0.6055 0.0010 0.0240 -0.0180 394 GLU C C +11831 C C B GLU C 376 ? 0.7717 0.6249 0.6068 0.0009 0.0238 -0.0179 394 GLU C C +11832 O O A GLU C 376 ? 0.7188 0.5717 0.5559 0.0009 0.0209 -0.0180 394 GLU C O +11833 O O B GLU C 376 ? 0.7173 0.5701 0.5544 0.0008 0.0207 -0.0179 394 GLU C O +11834 C CB A GLU C 376 ? 0.7266 0.5725 0.5509 0.0038 0.0280 -0.0204 394 GLU C CB +11835 C CB B GLU C 376 ? 0.7256 0.5714 0.5499 0.0038 0.0278 -0.0204 394 GLU C CB +11836 C CG A GLU C 376 ? 0.7421 0.5881 0.5693 0.0056 0.0269 -0.0215 394 GLU C CG +11837 C CG B GLU C 376 ? 0.7417 0.5878 0.5691 0.0055 0.0267 -0.0214 394 GLU C CG +11838 C CD A GLU C 376 ? 0.8015 0.6419 0.6242 0.0057 0.0233 -0.0222 394 GLU C CD +11839 C CD B GLU C 376 ? 0.8024 0.6428 0.6252 0.0056 0.0231 -0.0222 394 GLU C CD +11840 O OE1 A GLU C 376 ? 0.7489 0.5854 0.5663 0.0045 0.0214 -0.0220 394 GLU C OE1 +11841 O OE1 B GLU C 376 ? 0.7484 0.5849 0.5659 0.0045 0.0213 -0.0220 394 GLU C OE1 +11842 O OE2 A GLU C 376 ? 0.7845 0.6245 0.6094 0.0069 0.0221 -0.0230 394 GLU C OE2 +11843 O OE2 B GLU C 376 ? 0.7864 0.6262 0.6111 0.0069 0.0221 -0.0230 394 GLU C OE2 +11844 N N A TYR C 377 ? 0.7422 0.6006 0.5821 0.0005 0.0266 -0.0173 395 TYR C N +11845 N N B TYR C 377 ? 0.7445 0.6029 0.5846 0.0006 0.0265 -0.0173 395 TYR C N +11846 C CA A TYR C 377 ? 0.7562 0.6203 0.6043 0.0003 0.0258 -0.0167 395 TYR C CA +11847 C CA B TYR C 377 ? 0.7571 0.6213 0.6054 0.0003 0.0257 -0.0167 395 TYR C CA +11848 C C A TYR C 377 ? 0.6857 0.5510 0.5360 -0.0018 0.0227 -0.0151 395 TYR C C +11849 C C B TYR C 377 ? 0.6841 0.5495 0.5345 -0.0018 0.0227 -0.0151 395 TYR C C +11850 O O A TYR C 377 ? 0.7111 0.5783 0.5658 -0.0020 0.0203 -0.0148 395 TYR C O +11851 O O B TYR C 377 ? 0.7132 0.5806 0.5681 -0.0020 0.0203 -0.0148 395 TYR C O +11852 C CB A TYR C 377 ? 0.7093 0.5788 0.5623 0.0006 0.0295 -0.0166 395 TYR C CB +11853 C CB B TYR C 377 ? 0.7098 0.5793 0.5627 0.0006 0.0295 -0.0166 395 TYR C CB +11854 C CG A TYR C 377 ? 0.7092 0.5791 0.5623 0.0030 0.0322 -0.0182 395 TYR C CG +11855 C CG B TYR C 377 ? 0.7095 0.5793 0.5626 0.0030 0.0322 -0.0182 395 TYR C CG +11856 C CD1 A TYR C 377 ? 0.6668 0.5324 0.5166 0.0049 0.0308 -0.0195 395 TYR C CD1 +11857 C CD1 B TYR C 377 ? 0.6647 0.5302 0.5144 0.0049 0.0308 -0.0195 395 TYR C CD1 +11858 C CD2 A TYR C 377 ? 0.7234 0.5978 0.5801 0.0035 0.0360 -0.0186 395 TYR C CD2 +11859 C CD2 B TYR C 377 ? 0.7239 0.5982 0.5805 0.0035 0.0360 -0.0185 395 TYR C CD2 +11860 C CE1 A TYR C 377 ? 0.7243 0.5900 0.5741 0.0074 0.0332 -0.0210 395 TYR C CE1 +11861 C CE1 B TYR C 377 ? 0.7243 0.5900 0.5741 0.0073 0.0332 -0.0209 395 TYR C CE1 +11862 C CE2 A TYR C 377 ? 0.7432 0.6182 0.6002 0.0059 0.0385 -0.0201 395 TYR C CE2 +11863 C CE2 B TYR C 377 ? 0.7429 0.6179 0.6000 0.0059 0.0384 -0.0201 395 TYR C CE2 +11864 C CZ A TYR C 377 ? 0.8003 0.6709 0.6539 0.0079 0.0371 -0.0213 395 TYR C CZ +11865 C CZ B TYR C 377 ? 0.8022 0.6727 0.6557 0.0079 0.0370 -0.0212 395 TYR C CZ +11866 O OH A TYR C 377 ? 0.7713 0.6424 0.6252 0.0105 0.0396 -0.0228 395 TYR C OH +11867 O OH B TYR C 377 ? 0.7720 0.6432 0.6260 0.0105 0.0395 -0.0228 395 TYR C OH +11868 N N A MET C 378 ? 0.7238 0.5877 0.5708 -0.0034 0.0227 -0.0142 396 MET C N +11869 N N B MET C 378 ? 0.7230 0.5870 0.5701 -0.0034 0.0227 -0.0142 396 MET C N +11870 C CA A MET C 378 ? 0.7709 0.6354 0.6192 -0.0052 0.0196 -0.0129 396 MET C CA +11871 C CA B MET C 378 ? 0.7719 0.6365 0.6202 -0.0052 0.0197 -0.0129 396 MET C CA +11872 C C A MET C 378 ? 0.7367 0.5980 0.5834 -0.0053 0.0157 -0.0132 396 MET C C +11873 C C B MET C 378 ? 0.7372 0.5987 0.5841 -0.0052 0.0158 -0.0132 396 MET C C +11874 O O A MET C 378 ? 0.7421 0.6055 0.5926 -0.0064 0.0132 -0.0123 396 MET C O +11875 O O B MET C 378 ? 0.7427 0.6063 0.5935 -0.0063 0.0133 -0.0124 396 MET C O +11876 C CB A MET C 378 ? 0.7809 0.6433 0.6244 -0.0065 0.0203 -0.0121 396 MET C CB +11877 C CB B MET C 378 ? 0.7816 0.6440 0.6251 -0.0064 0.0203 -0.0121 396 MET C CB +11878 C CG A MET C 378 ? 0.8905 0.7525 0.7339 -0.0080 0.0170 -0.0109 396 MET C CG +11879 C CG B MET C 378 ? 0.8968 0.7592 0.7407 -0.0081 0.0172 -0.0109 396 MET C CG +11880 S SD A MET C 378 ? 0.7818 0.6395 0.6177 -0.0089 0.0171 -0.0103 396 MET C SD +11881 S SD B MET C 378 ? 0.7852 0.6430 0.6213 -0.0089 0.0169 -0.0103 396 MET C SD +11882 C CE A MET C 378 ? 0.7473 0.6044 0.5838 -0.0100 0.0121 -0.0096 396 MET C CE +11883 C CE B MET C 378 ? 0.7385 0.5961 0.5759 -0.0101 0.0119 -0.0095 396 MET C CE +11884 N N A THR C 379 ? 0.6937 0.5501 0.5349 -0.0041 0.0153 -0.0145 397 THR C N +11885 N N B THR C 379 ? 0.6922 0.5487 0.5335 -0.0041 0.0153 -0.0145 397 THR C N +11886 C CA A THR C 379 ? 0.7288 0.5817 0.5680 -0.0043 0.0117 -0.0150 397 THR C CA +11887 C CA B THR C 379 ? 0.7276 0.5807 0.5670 -0.0043 0.0118 -0.0150 397 THR C CA +11888 C C A THR C 379 ? 0.7456 0.5986 0.5876 -0.0029 0.0112 -0.0159 397 THR C C +11889 C C B THR C 379 ? 0.7466 0.5997 0.5887 -0.0030 0.0112 -0.0159 397 THR C C +11890 O O A THR C 379 ? 0.7276 0.5774 0.5678 -0.0030 0.0085 -0.0165 397 THR C O +11891 O O B THR C 379 ? 0.7274 0.5775 0.5680 -0.0031 0.0085 -0.0164 397 THR C O +11892 C CB A THR C 379 ? 0.8266 0.6734 0.6574 -0.0039 0.0112 -0.0159 397 THR C CB +11893 C CB B THR C 379 ? 0.8287 0.6758 0.6599 -0.0040 0.0111 -0.0159 397 THR C CB +11894 O OG1 A THR C 379 ? 0.7667 0.6117 0.5942 -0.0022 0.0143 -0.0171 397 THR C OG1 +11895 O OG1 B THR C 379 ? 0.7672 0.6123 0.5948 -0.0022 0.0144 -0.0170 397 THR C OG1 +11896 C CG2 A THR C 379 ? 0.6991 0.5454 0.5269 -0.0053 0.0107 -0.0149 397 THR C CG2 +11897 C CG2 B THR C 379 ? 0.6971 0.5434 0.5252 -0.0054 0.0104 -0.0149 397 THR C CG2 +11898 N N A HIS C 380 ? 0.7298 0.5864 0.5761 -0.0017 0.0137 -0.0161 398 HIS C N +11899 N N B HIS C 380 ? 0.7308 0.5874 0.5771 -0.0017 0.0138 -0.0161 398 HIS C N +11900 C CA A HIS C 380 ? 0.6546 0.5121 0.5046 -0.0004 0.0131 -0.0166 398 HIS C CA +11901 C CA B HIS C 380 ? 0.6524 0.5098 0.5022 -0.0004 0.0132 -0.0167 398 HIS C CA +11902 C C A HIS C 380 ? 0.7748 0.6385 0.6323 -0.0007 0.0137 -0.0156 398 HIS C C +11903 C C B HIS C 380 ? 0.7772 0.6409 0.6347 -0.0006 0.0138 -0.0157 398 HIS C C +11904 O O A HIS C 380 ? 0.7724 0.6384 0.6335 0.0010 0.0149 -0.0162 398 HIS C O +11905 O O B HIS C 380 ? 0.7762 0.6423 0.6373 0.0010 0.0151 -0.0162 398 HIS C O +11906 C CB A HIS C 380 ? 0.6734 0.5283 0.5205 0.0020 0.0152 -0.0183 398 HIS C CB +11907 C CB B HIS C 380 ? 0.6723 0.5272 0.5193 0.0020 0.0154 -0.0183 398 HIS C CB +11908 C CG A HIS C 380 ? 0.7704 0.6188 0.6099 0.0023 0.0144 -0.0194 398 HIS C CG +11909 C CG B HIS C 380 ? 0.7720 0.6204 0.6114 0.0024 0.0144 -0.0194 398 HIS C CG +11910 N ND1 A HIS C 380 ? 0.7451 0.5910 0.5790 0.0018 0.0154 -0.0195 398 HIS C ND1 +11911 N ND1 B HIS C 380 ? 0.7472 0.5928 0.5809 0.0020 0.0155 -0.0196 398 HIS C ND1 +11912 C CD2 A HIS C 380 ? 0.7298 0.5733 0.5659 0.0031 0.0125 -0.0205 398 HIS C CD2 +11913 C CD2 B HIS C 380 ? 0.7270 0.5706 0.5634 0.0030 0.0123 -0.0205 398 HIS C CD2 +11914 C CE1 A HIS C 380 ? 0.7393 0.5792 0.5669 0.0024 0.0141 -0.0207 398 HIS C CE1 +11915 C CE1 B HIS C 380 ? 0.7385 0.5782 0.5661 0.0025 0.0141 -0.0208 398 HIS C CE1 +11916 N NE2 A HIS C 380 ? 0.7746 0.6130 0.6035 0.0031 0.0124 -0.0214 398 HIS C NE2 +11917 N NE2 B HIS C 380 ? 0.7781 0.6166 0.6073 0.0030 0.0121 -0.0214 398 HIS C NE2 +11918 N N A ALA C 381 ? 0.6873 0.5539 0.5473 -0.0026 0.0128 -0.0142 399 ALA C N +11919 N N B ALA C 381 ? 0.6863 0.5528 0.5463 -0.0026 0.0128 -0.0143 399 ALA C N +11920 C CA A ALA C 381 ? 0.7324 0.6046 0.5995 -0.0031 0.0128 -0.0132 399 ALA C CA +11921 C CA B ALA C 381 ? 0.7332 0.6054 0.6002 -0.0030 0.0128 -0.0133 399 ALA C CA +11922 C C A ALA C 381 ? 0.7221 0.5943 0.5922 -0.0023 0.0107 -0.0134 399 ALA C C +11923 C C B ALA C 381 ? 0.7226 0.5948 0.5926 -0.0023 0.0107 -0.0134 399 ALA C C +11924 O O A ALA C 381 ? 0.6919 0.5601 0.5591 -0.0027 0.0082 -0.0136 399 ALA C O +11925 O O B ALA C 381 ? 0.6915 0.5597 0.5587 -0.0026 0.0083 -0.0137 399 ALA C O +11926 C CB A ALA C 381 ? 0.7006 0.5749 0.5692 -0.0053 0.0116 -0.0117 399 ALA C CB +11927 C CB B ALA C 381 ? 0.7010 0.5751 0.5694 -0.0053 0.0115 -0.0117 399 ALA C CB +11928 N N A PRO C 382 ? 0.6952 0.5717 0.5709 -0.0013 0.0115 -0.0133 400 PRO C N +11929 N N B PRO C 382 ? 0.6961 0.5727 0.5718 -0.0013 0.0116 -0.0133 400 PRO C N +11930 C CA A PRO C 382 ? 0.6794 0.5556 0.5576 -0.0005 0.0095 -0.0134 400 PRO C CA +11931 C CA B PRO C 382 ? 0.6789 0.5551 0.5571 -0.0004 0.0096 -0.0134 400 PRO C CA +11932 C C A PRO C 382 ? 0.6774 0.5544 0.5577 -0.0024 0.0067 -0.0120 400 PRO C C +11933 C C B PRO C 382 ? 0.6776 0.5548 0.5581 -0.0023 0.0068 -0.0121 400 PRO C C +11934 O O A PRO C 382 ? 0.6546 0.5356 0.5402 -0.0025 0.0063 -0.0113 400 PRO C O +11935 O O B PRO C 382 ? 0.6529 0.5341 0.5386 -0.0025 0.0065 -0.0113 400 PRO C O +11936 C CB A PRO C 382 ? 0.6285 0.5094 0.5119 0.0013 0.0114 -0.0136 400 PRO C CB +11937 C CB B PRO C 382 ? 0.6284 0.5094 0.5117 0.0014 0.0117 -0.0137 400 PRO C CB +11938 C CG A PRO C 382 ? 0.6695 0.5549 0.5553 0.0001 0.0136 -0.0130 400 PRO C CG +11939 C CG B PRO C 382 ? 0.6696 0.5550 0.5553 0.0003 0.0139 -0.0132 400 PRO C CG +11940 C CD A PRO C 382 ? 0.6578 0.5398 0.5379 -0.0010 0.0143 -0.0131 400 PRO C CD +11941 C CD B PRO C 382 ? 0.6583 0.5402 0.5382 -0.0009 0.0145 -0.0132 400 PRO C CD +11942 N N A LEU C 383 ? 0.6900 0.5633 0.5665 -0.0039 0.0047 -0.0118 401 LEU C N +11943 N N B LEU C 383 ? 0.6901 0.5636 0.5667 -0.0038 0.0048 -0.0118 401 LEU C N +11944 C CA A LEU C 383 ? 0.7042 0.5776 0.5821 -0.0057 0.0019 -0.0108 401 LEU C CA +11945 C CA B LEU C 383 ? 0.7044 0.5779 0.5826 -0.0056 0.0020 -0.0108 401 LEU C CA +11946 C C A LEU C 383 ? 0.6960 0.5640 0.5699 -0.0060 -0.0003 -0.0115 401 LEU C C +11947 C C B LEU C 383 ? 0.6956 0.5637 0.5697 -0.0058 -0.0001 -0.0115 401 LEU C C +11948 O O A LEU C 383 ? 0.7281 0.5922 0.5968 -0.0057 0.0000 -0.0124 401 LEU C O +11949 O O B LEU C 383 ? 0.7262 0.5904 0.5951 -0.0054 0.0002 -0.0125 401 LEU C O +11950 C CB A LEU C 383 ? 0.7125 0.5876 0.5903 -0.0077 0.0015 -0.0097 401 LEU C CB +11951 C CB B LEU C 383 ? 0.7116 0.5869 0.5897 -0.0077 0.0016 -0.0097 401 LEU C CB +11952 C CG A LEU C 383 ? 0.7656 0.6460 0.6476 -0.0083 0.0031 -0.0087 401 LEU C CG +11953 C CG B LEU C 383 ? 0.7666 0.6472 0.6490 -0.0082 0.0032 -0.0087 401 LEU C CG +11954 C CD1 A LEU C 383 ? 0.7785 0.6598 0.6594 -0.0073 0.0063 -0.0093 401 LEU C CD1 +11955 C CD1 B LEU C 383 ? 0.7804 0.6616 0.6612 -0.0073 0.0063 -0.0094 401 LEU C CD1 +11956 C CD2 A LEU C 383 ? 0.7646 0.6456 0.6463 -0.0104 0.0016 -0.0076 401 LEU C CD2 +11957 C CD2 B LEU C 383 ? 0.7681 0.6497 0.6507 -0.0103 0.0017 -0.0075 401 LEU C CD2 +11958 N N A GLY C 384 ? 0.6948 0.5624 0.5707 -0.0065 -0.0023 -0.0110 402 GLY C N +11959 N N B GLY C 384 ? 0.6942 0.5619 0.5702 -0.0065 -0.0023 -0.0110 402 GLY C N +11960 C CA A GLY C 384 ? 0.7045 0.5669 0.5768 -0.0070 -0.0044 -0.0117 402 GLY C CA +11961 C CA B GLY C 384 ? 0.7039 0.5665 0.5764 -0.0069 -0.0043 -0.0117 402 GLY C CA +11962 C C A GLY C 384 ? 0.7191 0.5818 0.5946 -0.0076 -0.0062 -0.0110 402 GLY C C +11963 C C B GLY C 384 ? 0.7207 0.5833 0.5960 -0.0075 -0.0062 -0.0110 402 GLY C C +11964 O O A GLY C 384 ? 0.7531 0.6193 0.6329 -0.0069 -0.0057 -0.0102 402 GLY C O +11965 O O B GLY C 384 ? 0.7565 0.6224 0.6362 -0.0069 -0.0058 -0.0103 402 GLY C O +11966 N N A SER C 385 ? 0.6732 0.5320 0.5462 -0.0088 -0.0084 -0.0113 403 SER C N +11967 N N B SER C 385 ? 0.6732 0.5320 0.5461 -0.0089 -0.0084 -0.0113 403 SER C N +11968 C CA A SER C 385 ? 0.6512 0.5095 0.5263 -0.0098 -0.0101 -0.0106 403 SER C CA +11969 C CA B SER C 385 ? 0.6508 0.5091 0.5259 -0.0099 -0.0102 -0.0106 403 SER C CA +11970 C C A SER C 385 ? 0.6632 0.5181 0.5374 -0.0080 -0.0099 -0.0114 403 SER C C +11971 C C B SER C 385 ? 0.6624 0.5173 0.5365 -0.0080 -0.0099 -0.0113 403 SER C C +11972 O O A SER C 385 ? 0.6628 0.5148 0.5339 -0.0062 -0.0087 -0.0126 403 SER C O +11973 O O B SER C 385 ? 0.6618 0.5143 0.5331 -0.0061 -0.0086 -0.0125 403 SER C O +11974 C CB A SER C 385 ? 0.7210 0.5769 0.5942 -0.0122 -0.0125 -0.0106 403 SER C CB +11975 C CB B SER C 385 ? 0.7247 0.5804 0.5976 -0.0122 -0.0125 -0.0107 403 SER C CB +11976 O OG A SER C 385 ? 0.7125 0.5631 0.5807 -0.0119 -0.0130 -0.0121 403 SER C OG +11977 O OG B SER C 385 ? 0.7140 0.5642 0.5821 -0.0118 -0.0130 -0.0122 403 SER C OG +11978 N N A LEU C 386 ? 0.6502 0.5050 0.5267 -0.0085 -0.0111 -0.0106 404 LEU C N +11979 N N B LEU C 386 ? 0.6498 0.5044 0.5262 -0.0086 -0.0111 -0.0106 404 LEU C N +11980 C CA A LEU C 386 ? 0.6734 0.5247 0.5491 -0.0068 -0.0110 -0.0111 404 LEU C CA +11981 C CA B LEU C 386 ? 0.6718 0.5230 0.5474 -0.0069 -0.0111 -0.0111 404 LEU C CA +11982 C C A LEU C 386 ? 0.7790 0.6236 0.6493 -0.0070 -0.0118 -0.0124 404 LEU C C +11983 C C B LEU C 386 ? 0.7815 0.6262 0.6518 -0.0070 -0.0118 -0.0125 404 LEU C C +11984 O O A LEU C 386 ? 0.7443 0.5854 0.6124 -0.0048 -0.0111 -0.0134 404 LEU C O +11985 O O B LEU C 386 ? 0.7452 0.5864 0.6134 -0.0048 -0.0111 -0.0133 404 LEU C O +11986 C CB A LEU C 386 ? 0.6734 0.5256 0.5523 -0.0076 -0.0122 -0.0098 404 LEU C CB +11987 C CB B LEU C 386 ? 0.6726 0.5249 0.5515 -0.0077 -0.0122 -0.0098 404 LEU C CB +11988 C CG A LEU C 386 ? 0.8865 0.7357 0.7650 -0.0058 -0.0122 -0.0099 404 LEU C CG +11989 C CG B LEU C 386 ? 0.8883 0.7373 0.7667 -0.0059 -0.0123 -0.0099 404 LEU C CG +11990 C CD1 A LEU C 386 ? 0.8566 0.7073 0.7359 -0.0025 -0.0103 -0.0105 404 LEU C CD1 +11991 C CD1 B LEU C 386 ? 0.8586 0.7088 0.7376 -0.0026 -0.0104 -0.0105 404 LEU C CD1 +11992 C CD2 A LEU C 386 ? 0.8809 0.7318 0.7628 -0.0067 -0.0132 -0.0084 404 LEU C CD2 +11993 C CD2 B LEU C 386 ? 0.8821 0.7332 0.7640 -0.0069 -0.0133 -0.0084 404 LEU C CD2 +11994 N N A ASN C 387 ? 0.7006 0.5434 0.5687 -0.0094 -0.0134 -0.0127 405 ASN C N +11995 N N B ASN C 387 ? 0.7013 0.5441 0.5693 -0.0093 -0.0133 -0.0127 405 ASN C N +11996 C CA A ASN C 387 ? 0.6688 0.5056 0.5316 -0.0097 -0.0142 -0.0142 405 ASN C CA +11997 C CA B ASN C 387 ? 0.6680 0.5047 0.5308 -0.0096 -0.0141 -0.0142 405 ASN C CA +11998 C C A ASN C 387 ? 0.7256 0.5615 0.5848 -0.0086 -0.0130 -0.0154 405 ASN C C +11999 C C B ASN C 387 ? 0.7268 0.5628 0.5861 -0.0086 -0.0130 -0.0154 405 ASN C C +12000 O O A ASN C 387 ? 0.7098 0.5412 0.5645 -0.0092 -0.0139 -0.0166 405 ASN C O +12001 O O B ASN C 387 ? 0.7103 0.5419 0.5651 -0.0093 -0.0139 -0.0166 405 ASN C O +12002 C CB A ASN C 387 ? 0.6518 0.4870 0.5140 -0.0128 -0.0165 -0.0141 405 ASN C CB +12003 C CB B ASN C 387 ? 0.6511 0.4862 0.5133 -0.0127 -0.0165 -0.0141 405 ASN C CB +12004 C CG A ASN C 387 ? 0.6964 0.5361 0.5606 -0.0147 -0.0172 -0.0134 405 ASN C CG +12005 C CG B ASN C 387 ? 0.6972 0.5368 0.5614 -0.0146 -0.0172 -0.0134 405 ASN C CG +12006 O OD1 A ASN C 387 ? 0.6711 0.5158 0.5389 -0.0143 -0.0163 -0.0122 405 ASN C OD1 +12007 O OD1 B ASN C 387 ? 0.6720 0.5168 0.5398 -0.0142 -0.0163 -0.0122 405 ASN C OD1 +12008 N ND2 A ASN C 387 ? 0.6540 0.4917 0.5158 -0.0167 -0.0190 -0.0141 405 ASN C ND2 +12009 N ND2 B ASN C 387 ? 0.6536 0.4912 0.5155 -0.0167 -0.0190 -0.0140 405 ASN C ND2 +12010 N N . SER C 388 ? 0.7197 0.5598 0.5809 -0.0070 -0.0110 -0.0151 406 SER C N +12011 C CA . SER C 388 ? 0.6250 0.4644 0.4829 -0.0056 -0.0093 -0.0161 406 SER C CA +12012 C C . SER C 388 ? 0.8040 0.6428 0.6589 -0.0074 -0.0102 -0.0164 406 SER C C +12013 O O . SER C 388 ? 0.7235 0.5585 0.5733 -0.0068 -0.0099 -0.0178 406 SER C O +12014 C CB . SER C 388 ? 0.7081 0.5423 0.5620 -0.0034 -0.0085 -0.0177 406 SER C CB +12015 O OG . SER C 388 ? 0.7164 0.5520 0.5730 -0.0011 -0.0071 -0.0175 406 SER C OG +12016 N N A VAL C 389 ? 0.7021 0.5446 0.5599 -0.0094 -0.0113 -0.0152 407 VAL C N +12017 N N B VAL C 389 ? 0.7019 0.5443 0.5596 -0.0094 -0.0114 -0.0152 407 VAL C N +12018 C CA A VAL C 389 ? 0.7223 0.5657 0.5781 -0.0107 -0.0118 -0.0152 407 VAL C CA +12019 C CA B VAL C 389 ? 0.7227 0.5661 0.5786 -0.0107 -0.0118 -0.0152 407 VAL C CA +12020 C C A VAL C 389 ? 0.7296 0.5773 0.5873 -0.0096 -0.0094 -0.0145 407 VAL C C +12021 C C B VAL C 389 ? 0.7300 0.5779 0.5880 -0.0096 -0.0094 -0.0145 407 VAL C C +12022 O O A VAL C 389 ? 0.7350 0.5874 0.5977 -0.0098 -0.0089 -0.0132 407 VAL C O +12023 O O B VAL C 389 ? 0.7358 0.5883 0.5986 -0.0098 -0.0089 -0.0132 407 VAL C O +12024 C CB A VAL C 389 ? 0.7178 0.5630 0.5759 -0.0133 -0.0143 -0.0143 407 VAL C CB +12025 C CB B VAL C 389 ? 0.7188 0.5640 0.5769 -0.0133 -0.0143 -0.0143 407 VAL C CB +12026 C CG1 A VAL C 389 ? 0.6658 0.5119 0.5217 -0.0143 -0.0149 -0.0143 407 VAL C CG1 +12027 C CG1 B VAL C 389 ? 0.6664 0.5122 0.5221 -0.0143 -0.0150 -0.0144 407 VAL C CG1 +12028 C CG2 A VAL C 389 ? 0.6558 0.4968 0.5125 -0.0146 -0.0165 -0.0150 407 VAL C CG2 +12029 C CG2 B VAL C 389 ? 0.6542 0.4954 0.5112 -0.0145 -0.0164 -0.0149 407 VAL C CG2 +12030 N N A GLY C 390 ? 0.6834 0.5296 0.5372 -0.0085 -0.0079 -0.0154 408 GLY C N +12031 N N B GLY C 390 ? 0.6838 0.5301 0.5378 -0.0085 -0.0079 -0.0153 408 GLY C N +12032 C CA A GLY C 390 ? 0.6521 0.5020 0.5073 -0.0075 -0.0054 -0.0148 408 GLY C CA +12033 C CA B GLY C 390 ? 0.6490 0.4991 0.5045 -0.0075 -0.0053 -0.0148 408 GLY C CA +12034 C C A GLY C 390 ? 0.7430 0.5961 0.5995 -0.0093 -0.0060 -0.0137 408 GLY C C +12035 C C B GLY C 390 ? 0.7396 0.5932 0.5967 -0.0092 -0.0059 -0.0135 408 GLY C C +12036 O O A GLY C 390 ? 0.7880 0.6393 0.6419 -0.0107 -0.0081 -0.0137 408 GLY C O +12037 O O B GLY C 390 ? 0.7898 0.6417 0.6445 -0.0107 -0.0079 -0.0136 408 GLY C O +12038 N N A GLY C 391 ? 0.7248 0.5826 0.5852 -0.0091 -0.0043 -0.0126 409 GLY C N +12039 N N B GLY C 391 ? 0.7191 0.5774 0.5801 -0.0090 -0.0041 -0.0125 409 GLY C N +12040 C CA A GLY C 391 ? 0.8255 0.6862 0.6868 -0.0104 -0.0044 -0.0115 409 GLY C CA +12041 C CA B GLY C 391 ? 0.8315 0.6927 0.6934 -0.0103 -0.0041 -0.0114 409 GLY C CA +12042 C C A GLY C 391 ? 0.7751 0.6404 0.6424 -0.0115 -0.0052 -0.0100 409 GLY C C +12043 C C B GLY C 391 ? 0.7771 0.6428 0.6449 -0.0114 -0.0050 -0.0100 409 GLY C C +12044 O O A GLY C 391 ? 0.7810 0.6475 0.6519 -0.0110 -0.0054 -0.0099 409 GLY C O +12045 O O B GLY C 391 ? 0.7837 0.6507 0.6551 -0.0110 -0.0052 -0.0098 409 GLY C O +12046 N N A VAL C 392 ? 0.7091 0.5767 0.5773 -0.0128 -0.0056 -0.0090 410 VAL C N +12047 N N B VAL C 392 ? 0.7071 0.5751 0.5757 -0.0127 -0.0054 -0.0089 410 VAL C N +12048 C CA A VAL C 392 ? 0.7469 0.6186 0.6202 -0.0139 -0.0064 -0.0076 410 VAL C CA +12049 C CA B VAL C 392 ? 0.7451 0.6172 0.6189 -0.0138 -0.0063 -0.0076 410 VAL C CA +12050 C C A VAL C 392 ? 0.6783 0.5490 0.5528 -0.0149 -0.0092 -0.0076 410 VAL C C +12051 C C B VAL C 392 ? 0.6767 0.5476 0.5515 -0.0149 -0.0090 -0.0075 410 VAL C C +12052 O O A VAL C 392 ? 0.7331 0.6000 0.6042 -0.0152 -0.0106 -0.0085 410 VAL C O +12053 O O B VAL C 392 ? 0.7340 0.6010 0.6052 -0.0151 -0.0105 -0.0085 410 VAL C O +12054 C CB A VAL C 392 ? 0.8104 0.6844 0.6838 -0.0149 -0.0063 -0.0066 410 VAL C CB +12055 C CB B VAL C 392 ? 0.8121 0.6864 0.6860 -0.0149 -0.0062 -0.0066 410 VAL C CB +12056 C CG1 A VAL C 392 ? 0.7799 0.6548 0.6523 -0.0140 -0.0033 -0.0067 410 VAL C CG1 +12057 C CG1 B VAL C 392 ? 0.7806 0.6560 0.6536 -0.0141 -0.0032 -0.0066 410 VAL C CG1 +12058 C CG2 A VAL C 392 ? 0.7349 0.6059 0.6040 -0.0158 -0.0083 -0.0069 410 VAL C CG2 +12059 C CG2 B VAL C 392 ? 0.7317 0.6032 0.6014 -0.0159 -0.0083 -0.0068 410 VAL C CG2 +12060 N N A ALA C 393 ? 0.6922 0.5663 0.5715 -0.0156 -0.0098 -0.0065 411 ALA C N +12061 N N B ALA C 393 ? 0.6913 0.5655 0.5709 -0.0156 -0.0097 -0.0065 411 ALA C N +12062 C CA A ALA C 393 ? 0.7068 0.5801 0.5877 -0.0166 -0.0120 -0.0063 411 ALA C CA +12063 C CA B ALA C 393 ? 0.7075 0.5808 0.5885 -0.0166 -0.0120 -0.0063 411 ALA C CA +12064 C C A ALA C 393 ? 0.7195 0.5913 0.5983 -0.0183 -0.0143 -0.0064 411 ALA C C +12065 C C B ALA C 393 ? 0.7214 0.5931 0.6000 -0.0182 -0.0143 -0.0065 411 ALA C C +12066 O O A ALA C 393 ? 0.6840 0.5540 0.5628 -0.0192 -0.0161 -0.0067 411 ALA C O +12067 O O B ALA C 393 ? 0.6838 0.5536 0.5622 -0.0191 -0.0161 -0.0068 411 ALA C O +12068 C CB A ALA C 393 ? 0.6263 0.5036 0.5126 -0.0170 -0.0120 -0.0051 411 ALA C CB +12069 C CB B ALA C 393 ? 0.6264 0.5038 0.5127 -0.0171 -0.0121 -0.0050 411 ALA C CB +12070 N N A THR C 394 ? 0.7176 0.5901 0.5946 -0.0187 -0.0143 -0.0062 412 THR C N +12071 N N B THR C 394 ? 0.7193 0.5917 0.5961 -0.0186 -0.0142 -0.0062 412 THR C N +12072 C CA A THR C 394 ? 0.6537 0.5252 0.5288 -0.0200 -0.0167 -0.0063 412 THR C CA +12073 C CA B THR C 394 ? 0.6529 0.5244 0.5278 -0.0199 -0.0165 -0.0064 412 THR C CA +12074 C C A THR C 394 ? 0.7196 0.5867 0.5890 -0.0197 -0.0172 -0.0078 412 THR C C +12075 C C B THR C 394 ? 0.7206 0.5877 0.5898 -0.0196 -0.0171 -0.0078 412 THR C C +12076 O O A THR C 394 ? 0.7070 0.5731 0.5744 -0.0206 -0.0193 -0.0081 412 THR C O +12077 O O B THR C 394 ? 0.7070 0.5731 0.5742 -0.0205 -0.0191 -0.0081 412 THR C O +12078 C CB A THR C 394 ? 0.6600 0.5345 0.5361 -0.0205 -0.0166 -0.0053 412 THR C CB +12079 C CB B THR C 394 ? 0.6616 0.5362 0.5376 -0.0204 -0.0164 -0.0052 412 THR C CB +12080 O OG1 A THR C 394 ? 0.6542 0.5285 0.5280 -0.0194 -0.0144 -0.0053 412 THR C OG1 +12081 O OG1 B THR C 394 ? 0.6493 0.5236 0.5229 -0.0193 -0.0141 -0.0053 412 THR C OG1 +12082 C CG2 A THR C 394 ? 0.6303 0.5091 0.5120 -0.0211 -0.0165 -0.0039 412 THR C CG2 +12083 C CG2 B THR C 394 ? 0.6300 0.5087 0.5115 -0.0210 -0.0163 -0.0039 412 THR C CG2 +12084 N N A GLU C 395 ? 0.6852 0.5497 0.5520 -0.0182 -0.0155 -0.0086 413 GLU C N +12085 N N B GLU C 395 ? 0.6863 0.5508 0.5529 -0.0181 -0.0154 -0.0087 413 GLU C N +12086 C CA A GLU C 395 ? 0.7441 0.6042 0.6051 -0.0177 -0.0158 -0.0100 413 GLU C CA +12087 C CA B GLU C 395 ? 0.7444 0.6043 0.6051 -0.0176 -0.0157 -0.0101 413 GLU C CA +12088 C C A GLU C 395 ? 0.7062 0.5631 0.5659 -0.0186 -0.0181 -0.0111 413 GLU C C +12089 C C B GLU C 395 ? 0.7065 0.5634 0.5661 -0.0185 -0.0181 -0.0111 413 GLU C C +12090 O O A GLU C 395 ? 0.6702 0.5275 0.5330 -0.0191 -0.0187 -0.0109 413 GLU C O +12091 O O B GLU C 395 ? 0.6686 0.5260 0.5314 -0.0191 -0.0187 -0.0109 413 GLU C O +12092 C CB A GLU C 395 ? 0.7611 0.6196 0.6199 -0.0158 -0.0130 -0.0107 413 GLU C CB +12093 C CB B GLU C 395 ? 0.7615 0.6197 0.6201 -0.0157 -0.0130 -0.0108 413 GLU C CB +12094 C CG A GLU C 395 ? 0.8739 0.7277 0.7263 -0.0150 -0.0129 -0.0121 413 GLU C CG +12095 C CG B GLU C 395 ? 0.8767 0.7304 0.7288 -0.0149 -0.0128 -0.0122 413 GLU C CG +12096 C CD A GLU C 395 ? 0.8582 0.7118 0.7072 -0.0153 -0.0132 -0.0119 413 GLU C CD +12097 C CD B GLU C 395 ? 0.8606 0.7142 0.7095 -0.0152 -0.0130 -0.0118 413 GLU C CD +12098 O OE1 A GLU C 395 ? 0.7292 0.5823 0.5772 -0.0165 -0.0158 -0.0119 413 GLU C OE1 +12099 O OE1 B GLU C 395 ? 0.7297 0.5830 0.5777 -0.0164 -0.0156 -0.0118 413 GLU C OE1 +12100 O OE2 A GLU C 395 ? 0.8039 0.6577 0.6512 -0.0143 -0.0108 -0.0116 413 GLU C OE2 +12101 O OE2 B GLU C 395 ? 0.8063 0.6604 0.6538 -0.0142 -0.0105 -0.0116 413 GLU C OE2 +12102 N N A ILE C 396 ? 0.7413 0.5948 0.5961 -0.0188 -0.0195 -0.0122 414 ILE C N +12103 N N B ILE C 396 ? 0.7427 0.5962 0.5975 -0.0188 -0.0195 -0.0122 414 ILE C N +12104 C CA A ILE C 396 ? 0.7651 0.6153 0.6181 -0.0198 -0.0218 -0.0135 414 ILE C CA +12105 C CA B ILE C 396 ? 0.7662 0.6164 0.6192 -0.0198 -0.0217 -0.0135 414 ILE C CA +12106 C C A ILE C 396 ? 0.7326 0.5785 0.5826 -0.0185 -0.0206 -0.0147 414 ILE C C +12107 C C B ILE C 396 ? 0.7329 0.5788 0.5830 -0.0185 -0.0205 -0.0147 414 ILE C C +12108 O O A ILE C 396 ? 0.7574 0.6025 0.6056 -0.0167 -0.0181 -0.0149 414 ILE C O +12109 O O B ILE C 396 ? 0.7591 0.6042 0.6074 -0.0167 -0.0181 -0.0149 414 ILE C O +12110 C CB A ILE C 396 ? 0.7864 0.6348 0.6354 -0.0205 -0.0240 -0.0143 414 ILE C CB +12111 C CB B ILE C 396 ? 0.7876 0.6361 0.6368 -0.0206 -0.0240 -0.0143 414 ILE C CB +12112 C CG1 A ILE C 396 ? 0.7117 0.5575 0.5551 -0.0189 -0.0226 -0.0150 414 ILE C CG1 +12113 C CG1 B ILE C 396 ? 0.7105 0.5563 0.5540 -0.0190 -0.0226 -0.0150 414 ILE C CG1 +12114 C CG2 A ILE C 396 ? 0.7259 0.5785 0.5782 -0.0219 -0.0256 -0.0132 414 ILE C CG2 +12115 C CG2 B ILE C 396 ? 0.7257 0.5785 0.5782 -0.0219 -0.0256 -0.0132 414 ILE C CG2 +12116 C CD1 A ILE C 396 ? 0.7713 0.6141 0.6095 -0.0193 -0.0249 -0.0161 414 ILE C CD1 +12117 C CD1 B ILE C 396 ? 0.7722 0.6151 0.6106 -0.0194 -0.0250 -0.0162 414 ILE C CD1 +12118 N N . ASN C 397 ? 0.7502 0.5932 0.5997 -0.0194 -0.0222 -0.0156 415 ASN C N +12119 C CA . ASN C 397 ? 0.7081 0.5462 0.5540 -0.0183 -0.0215 -0.0170 415 ASN C CA +12120 C C . ASN C 397 ? 0.7910 0.6256 0.6306 -0.0172 -0.0212 -0.0183 415 ASN C C +12121 O O . ASN C 397 ? 0.7048 0.5392 0.5422 -0.0181 -0.0229 -0.0186 415 ASN C O +12122 C CB . ASN C 397 ? 0.7137 0.5490 0.5598 -0.0199 -0.0237 -0.0178 415 ASN C CB +12123 C CG . ASN C 397 ? 0.7325 0.5690 0.5830 -0.0201 -0.0231 -0.0169 415 ASN C CG +12124 O OD1 . ASN C 397 ? 0.7529 0.5868 0.6025 -0.0186 -0.0217 -0.0173 415 ASN C OD1 +12125 N ND2 . ASN C 397 ? 0.7247 0.5650 0.5798 -0.0217 -0.0242 -0.0157 415 ASN C ND2 +12126 N N . SER C 398 ? 0.7080 0.5397 0.5448 -0.0152 -0.0190 -0.0191 416 SER C N +12127 C CA . SER C 398 ? 0.7734 0.6007 0.6036 -0.0139 -0.0184 -0.0206 416 SER C CA +12128 C C . SER C 398 ? 0.8064 0.6324 0.6354 -0.0115 -0.0153 -0.0209 416 SER C C +12129 O O . SER C 398 ? 0.8101 0.6312 0.6343 -0.0104 -0.0150 -0.0225 416 SER C O +12130 C CB . SER C 398 ? 0.8277 0.6563 0.6553 -0.0139 -0.0184 -0.0202 416 SER C CB +12131 O OG . SER C 398 ? 0.8613 0.6899 0.6882 -0.0157 -0.0215 -0.0204 416 SER C OG +12132 N N . VAL C 399 ? 0.7087 0.5391 0.5419 -0.0106 -0.0131 -0.0197 417 VAL C N +12133 C CA . VAL C 399 ? 0.7285 0.5586 0.5612 -0.0082 -0.0100 -0.0200 417 VAL C CA +12134 C C . VAL C 399 ? 0.7972 0.6283 0.6341 -0.0076 -0.0095 -0.0197 417 VAL C C +12135 O O . VAL C 399 ? 0.7880 0.6233 0.6304 -0.0084 -0.0098 -0.0183 417 VAL C O +12136 C CB . VAL C 399 ? 0.8200 0.6543 0.6542 -0.0076 -0.0075 -0.0189 417 VAL C CB +12137 C CG1 . VAL C 399 ? 0.7612 0.5956 0.5953 -0.0051 -0.0042 -0.0195 417 VAL C CG1 +12138 C CG2 . VAL C 399 ? 0.7203 0.5532 0.5497 -0.0082 -0.0080 -0.0191 417 VAL C CG2 +12139 N N . ASN C 400 ? 0.7405 0.5673 0.5745 -0.0060 -0.0089 -0.0210 418 ASN C N +12140 C CA . ASN C 400 ? 0.7594 0.5859 0.5963 -0.0050 -0.0085 -0.0210 418 ASN C CA +12141 C C . ASN C 400 ? 0.7798 0.6094 0.6189 -0.0026 -0.0053 -0.0207 418 ASN C C +12142 O O . ASN C 400 ? 0.8315 0.6585 0.6671 -0.0005 -0.0035 -0.0220 418 ASN C O +12143 C CB . ASN C 400 ? 0.6708 0.4906 0.5030 -0.0046 -0.0097 -0.0226 418 ASN C CB +12144 C CG . ASN C 400 ? 0.8066 0.6250 0.6409 -0.0036 -0.0096 -0.0226 418 ASN C CG +12145 O OD1 . ASN C 400 ? 0.8883 0.7013 0.7186 -0.0024 -0.0095 -0.0240 418 ASN C OD1 +12146 N ND2 . ASN C 400 ? 0.7423 0.5652 0.5825 -0.0039 -0.0096 -0.0211 418 ASN C ND2 +12147 N N A PHE C 401 ? 0.7509 0.5864 0.5958 -0.0028 -0.0046 -0.0192 419 PHE C N +12148 N N B PHE C 401 ? 0.7513 0.5867 0.5962 -0.0028 -0.0046 -0.0192 419 PHE C N +12149 C CA A PHE C 401 ? 0.7899 0.6291 0.6374 -0.0008 -0.0016 -0.0190 419 PHE C CA +12150 C CA B PHE C 401 ? 0.7912 0.6304 0.6387 -0.0008 -0.0016 -0.0191 419 PHE C CA +12151 C C A PHE C 401 ? 0.7448 0.5895 0.5991 -0.0011 -0.0015 -0.0176 419 PHE C C +12152 C C B PHE C 401 ? 0.7456 0.5902 0.5999 -0.0010 -0.0016 -0.0176 419 PHE C C +12153 O O A PHE C 401 ? 0.7759 0.6236 0.6330 -0.0031 -0.0029 -0.0163 419 PHE C O +12154 O O B PHE C 401 ? 0.7830 0.6303 0.6400 -0.0031 -0.0030 -0.0164 419 PHE C O +12155 C CB A PHE C 401 ? 0.7425 0.5832 0.5878 -0.0009 0.0002 -0.0190 419 PHE C CB +12156 C CB B PHE C 401 ? 0.7421 0.5829 0.5876 -0.0010 0.0001 -0.0190 419 PHE C CB +12157 C CG A PHE C 401 ? 0.7289 0.5743 0.5776 0.0006 0.0033 -0.0187 419 PHE C CG +12158 C CG B PHE C 401 ? 0.7286 0.5741 0.5774 0.0005 0.0033 -0.0186 419 PHE C CG +12159 C CD1 A PHE C 401 ? 0.7475 0.5917 0.5947 0.0031 0.0058 -0.0199 419 PHE C CD1 +12160 C CD1 B PHE C 401 ? 0.7481 0.5924 0.5956 0.0031 0.0057 -0.0198 419 PHE C CD1 +12161 C CD2 A PHE C 401 ? 0.7653 0.6163 0.6186 -0.0005 0.0039 -0.0172 419 PHE C CD2 +12162 C CD2 B PHE C 401 ? 0.7662 0.6172 0.6196 -0.0006 0.0039 -0.0172 419 PHE C CD2 +12163 C CE1 A PHE C 401 ? 0.7379 0.5870 0.5887 0.0044 0.0088 -0.0197 419 PHE C CE1 +12164 C CE1 B PHE C 401 ? 0.7389 0.5879 0.5898 0.0044 0.0086 -0.0197 419 PHE C CE1 +12165 C CE2 A PHE C 401 ? 0.7313 0.5867 0.5879 0.0006 0.0069 -0.0170 419 PHE C CE2 +12166 C CE2 B PHE C 401 ? 0.7315 0.5869 0.5881 0.0006 0.0068 -0.0170 419 PHE C CE2 +12167 C CZ A PHE C 401 ? 0.6807 0.5354 0.5363 0.0031 0.0093 -0.0182 419 PHE C CZ +12168 C CZ B PHE C 401 ? 0.6793 0.5340 0.5349 0.0031 0.0092 -0.0183 419 PHE C CZ +12169 N N A VAL C 402 ? 0.7087 0.5548 0.5657 0.0011 -0.0001 -0.0178 420 VAL C N +12170 N N B VAL C 402 ? 0.7085 0.5545 0.5652 0.0012 0.0001 -0.0178 420 VAL C N +12171 C CA A VAL C 402 ? 0.6900 0.5421 0.5532 0.0015 0.0009 -0.0166 420 VAL C CA +12172 C CA B VAL C 402 ? 0.6894 0.5415 0.5525 0.0016 0.0010 -0.0167 420 VAL C CA +12173 C C A VAL C 402 ? 0.6882 0.5422 0.5522 0.0042 0.0039 -0.0175 420 VAL C C +12174 C C B VAL C 402 ? 0.6867 0.5407 0.5507 0.0043 0.0040 -0.0175 420 VAL C C +12175 O O A VAL C 402 ? 0.7445 0.5949 0.6058 0.0063 0.0045 -0.0188 420 VAL C O +12176 O O B VAL C 402 ? 0.7467 0.5973 0.6082 0.0064 0.0046 -0.0188 420 VAL C O +12177 C CB A VAL C 402 ? 0.7388 0.5910 0.6053 0.0015 -0.0009 -0.0159 420 VAL C CB +12178 C CB B VAL C 402 ? 0.7401 0.5922 0.6064 0.0014 -0.0009 -0.0160 420 VAL C CB +12179 C CG1 A VAL C 402 ? 0.6581 0.5158 0.5303 0.0030 0.0005 -0.0153 420 VAL C CG1 +12180 C CG1 B VAL C 402 ? 0.6580 0.5155 0.5300 0.0029 0.0004 -0.0153 420 VAL C CG1 +12181 C CG2 A VAL C 402 ? 0.6997 0.5522 0.5672 -0.0014 -0.0034 -0.0148 420 VAL C CG2 +12182 C CG2 B VAL C 402 ? 0.7002 0.5527 0.5675 -0.0015 -0.0033 -0.0148 420 VAL C CG2 +12183 N N A SER C 403 ? 0.7372 0.5967 0.6048 0.0041 0.0057 -0.0168 421 SER C N +12184 N N B SER C 403 ? 0.7379 0.5973 0.6054 0.0042 0.0058 -0.0169 421 SER C N +12185 C CA A SER C 403 ? 0.7730 0.6349 0.6417 0.0064 0.0088 -0.0177 421 SER C CA +12186 C CA B SER C 403 ? 0.7751 0.6369 0.6437 0.0064 0.0089 -0.0177 421 SER C CA +12187 C C A SER C 403 ? 0.7381 0.6006 0.6096 0.0089 0.0090 -0.0182 421 SER C C +12188 C C B SER C 403 ? 0.7388 0.6012 0.6102 0.0090 0.0091 -0.0183 421 SER C C +12189 O O A SER C 403 ? 0.7444 0.6085 0.6196 0.0086 0.0073 -0.0173 421 SER C O +12190 O O B SER C 403 ? 0.7463 0.6100 0.6210 0.0087 0.0073 -0.0174 421 SER C O +12191 C CB A SER C 403 ? 0.7200 0.5880 0.5928 0.0055 0.0106 -0.0168 421 SER C CB +12192 C CB B SER C 403 ? 0.7206 0.5887 0.5935 0.0055 0.0107 -0.0168 421 SER C CB +12193 O OG A SER C 403 ? 0.8143 0.6855 0.6894 0.0076 0.0135 -0.0176 421 SER C OG +12194 O OG B SER C 403 ? 0.8193 0.6906 0.6944 0.0077 0.0136 -0.0177 421 SER C OG +12195 N N A PRO C 404 ? 0.7324 0.5936 0.6022 0.0115 0.0110 -0.0196 422 PRO C N +12196 N N B PRO C 404 ? 0.7353 0.5967 0.6052 0.0116 0.0112 -0.0197 422 PRO C N +12197 C CA A PRO C 404 ? 0.6782 0.5411 0.5514 0.0143 0.0115 -0.0202 422 PRO C CA +12198 C CA B PRO C 404 ? 0.6776 0.5407 0.5508 0.0144 0.0116 -0.0202 422 PRO C CA +12199 C C A PRO C 404 ? 0.6956 0.5660 0.5760 0.0144 0.0122 -0.0192 422 PRO C C +12200 C C B PRO C 404 ? 0.6962 0.5666 0.5767 0.0144 0.0122 -0.0192 422 PRO C C +12201 O O A PRO C 404 ? 0.6904 0.5623 0.5742 0.0159 0.0113 -0.0191 422 PRO C O +12202 O O B PRO C 404 ? 0.6913 0.5630 0.5750 0.0158 0.0112 -0.0190 422 PRO C O +12203 C CB A PRO C 404 ? 0.7097 0.5710 0.5799 0.0169 0.0142 -0.0219 422 PRO C CB +12204 C CB B PRO C 404 ? 0.7097 0.5714 0.5802 0.0170 0.0144 -0.0219 422 PRO C CB +12205 C CG A PRO C 404 ? 0.6769 0.5334 0.5406 0.0155 0.0143 -0.0223 422 PRO C CG +12206 C CG B PRO C 404 ? 0.6763 0.5330 0.5402 0.0156 0.0145 -0.0224 422 PRO C CG +12207 C CD A PRO C 404 ? 0.6873 0.5459 0.5522 0.0122 0.0131 -0.0208 422 PRO C CD +12208 C CD B PRO C 404 ? 0.6869 0.5456 0.5518 0.0123 0.0133 -0.0209 422 PRO C CD +12209 N N A ARG C 405 ? 0.6310 0.5059 0.5136 0.0128 0.0136 -0.0186 423 ARG C N +12210 N N B ARG C 405 ? 0.6299 0.5049 0.5127 0.0128 0.0137 -0.0187 423 ARG C N +12211 C CA A ARG C 405 ? 0.6672 0.5491 0.5566 0.0126 0.0142 -0.0178 423 ARG C CA +12212 C CA B ARG C 405 ? 0.6666 0.5486 0.5562 0.0126 0.0142 -0.0178 423 ARG C CA +12213 C C A ARG C 405 ? 0.6712 0.5537 0.5632 0.0111 0.0112 -0.0164 423 ARG C C +12214 C C B ARG C 405 ? 0.6723 0.5547 0.5643 0.0111 0.0112 -0.0164 423 ARG C C +12215 O O A ARG C 405 ? 0.6909 0.5773 0.5878 0.0120 0.0108 -0.0160 423 ARG C O +12216 O O B ARG C 405 ? 0.6921 0.5783 0.5889 0.0121 0.0107 -0.0161 423 ARG C O +12217 C CB A ARG C 405 ? 0.6744 0.5602 0.5650 0.0109 0.0164 -0.0175 423 ARG C CB +12218 C CB B ARG C 405 ? 0.6745 0.5606 0.5654 0.0108 0.0163 -0.0174 423 ARG C CB +12219 C CG A ARG C 405 ? 0.6531 0.5396 0.5423 0.0125 0.0197 -0.0189 423 ARG C CG +12220 C CG B ARG C 405 ? 0.6522 0.5384 0.5412 0.0123 0.0196 -0.0188 423 ARG C CG +12221 C CD A ARG C 405 ? 0.6346 0.5256 0.5260 0.0108 0.0220 -0.0184 423 ARG C CD +12222 C CD B ARG C 405 ? 0.6338 0.5250 0.5254 0.0107 0.0220 -0.0183 423 ARG C CD +12223 N NE A ARG C 405 ? 0.6820 0.5728 0.5709 0.0117 0.0254 -0.0195 423 ARG C NE +12224 N NE B ARG C 405 ? 0.6829 0.5738 0.5720 0.0117 0.0254 -0.0195 423 ARG C NE +12225 C CZ A ARG C 405 ? 0.7070 0.6025 0.5999 0.0135 0.0281 -0.0205 423 ARG C CZ +12226 C CZ B ARG C 405 ? 0.7085 0.6037 0.6012 0.0136 0.0281 -0.0205 423 ARG C CZ +12227 N NH1 A ARG C 405 ? 0.6743 0.5749 0.5735 0.0148 0.0277 -0.0206 423 ARG C NH1 +12228 N NH1 B ARG C 405 ? 0.6736 0.5737 0.5725 0.0150 0.0276 -0.0206 423 ARG C NH1 +12229 N NH2 A ARG C 405 ? 0.6960 0.5911 0.5863 0.0140 0.0314 -0.0215 423 ARG C NH2 +12230 N NH2 B ARG C 405 ? 0.6970 0.5918 0.5871 0.0142 0.0313 -0.0215 423 ARG C NH2 +12231 N N A SER C 406 ? 0.6346 0.5132 0.5232 0.0088 0.0091 -0.0156 424 SER C N +12232 N N B SER C 406 ? 0.6331 0.5117 0.5217 0.0088 0.0092 -0.0156 424 SER C N +12233 C CA A SER C 406 ? 0.6465 0.5252 0.5372 0.0074 0.0065 -0.0143 424 SER C CA +12234 C CA B SER C 406 ? 0.6455 0.5243 0.5362 0.0074 0.0065 -0.0144 424 SER C CA +12235 C C A SER C 406 ? 0.7400 0.6157 0.6304 0.0093 0.0050 -0.0147 424 SER C C +12236 C C B SER C 406 ? 0.7423 0.6179 0.6326 0.0093 0.0050 -0.0147 424 SER C C +12237 O O A SER C 406 ? 0.7260 0.6043 0.6203 0.0096 0.0039 -0.0139 424 SER C O +12238 O O B SER C 406 ? 0.7283 0.6063 0.6224 0.0097 0.0039 -0.0139 424 SER C O +12239 C CB A SER C 406 ? 0.6286 0.5041 0.5159 0.0045 0.0047 -0.0136 424 SER C CB +12240 C CB B SER C 406 ? 0.6268 0.5025 0.5143 0.0045 0.0047 -0.0136 424 SER C CB +12241 O OG A SER C 406 ? 0.7231 0.6017 0.6111 0.0028 0.0058 -0.0130 424 SER C OG +12242 O OG B SER C 406 ? 0.7241 0.6031 0.6125 0.0028 0.0059 -0.0130 424 SER C OG +12243 N N A TRP C 407 ? 0.7026 0.5726 0.5881 0.0106 0.0050 -0.0158 425 TRP C N +12244 N N B TRP C 407 ? 0.7034 0.5732 0.5887 0.0106 0.0050 -0.0158 425 TRP C N +12245 C CA A TRP C 407 ? 0.6887 0.5551 0.5734 0.0125 0.0037 -0.0162 425 TRP C CA +12246 C CA B TRP C 407 ? 0.6890 0.5552 0.5735 0.0125 0.0037 -0.0162 425 TRP C CA +12247 C C A TRP C 407 ? 0.6786 0.5493 0.5678 0.0154 0.0049 -0.0165 425 TRP C C +12248 C C B TRP C 407 ? 0.6791 0.5495 0.5681 0.0154 0.0048 -0.0165 425 TRP C C +12249 O O A TRP C 407 ? 0.6867 0.5576 0.5780 0.0164 0.0034 -0.0160 425 TRP C O +12250 O O B TRP C 407 ? 0.6872 0.5578 0.5783 0.0162 0.0033 -0.0159 425 TRP C O +12251 C CB A TRP C 407 ? 0.7002 0.5598 0.5788 0.0136 0.0038 -0.0175 425 TRP C CB +12252 C CB B TRP C 407 ? 0.7016 0.5610 0.5799 0.0136 0.0039 -0.0176 425 TRP C CB +12253 C CG A TRP C 407 ? 0.7465 0.6008 0.6202 0.0110 0.0021 -0.0174 425 TRP C CG +12254 C CG B TRP C 407 ? 0.7494 0.6036 0.6229 0.0110 0.0022 -0.0175 425 TRP C CG +12255 C CD1 A TRP C 407 ? 0.7122 0.5634 0.5812 0.0103 0.0028 -0.0183 425 TRP C CD1 +12256 C CD1 B TRP C 407 ? 0.7124 0.5635 0.5812 0.0103 0.0028 -0.0184 425 TRP C CD1 +12257 C CD2 A TRP C 407 ? 0.6514 0.5030 0.5246 0.0088 -0.0005 -0.0164 425 TRP C CD2 +12258 C CD2 B TRP C 407 ? 0.6508 0.5025 0.5239 0.0088 -0.0005 -0.0165 425 TRP C CD2 +12259 N NE1 A TRP C 407 ? 0.6817 0.5287 0.5474 0.0079 0.0005 -0.0180 425 TRP C NE1 +12260 N NE1 B TRP C 407 ? 0.6811 0.5279 0.5466 0.0079 0.0006 -0.0181 425 TRP C NE1 +12261 C CE2 A TRP C 407 ? 0.6912 0.5385 0.5596 0.0069 -0.0014 -0.0169 425 TRP C CE2 +12262 C CE2 B TRP C 407 ? 0.6921 0.5394 0.5604 0.0068 -0.0014 -0.0169 425 TRP C CE2 +12263 C CE3 A TRP C 407 ? 0.6706 0.5232 0.5468 0.0084 -0.0022 -0.0153 425 TRP C CE3 +12264 C CE3 B TRP C 407 ? 0.6685 0.5211 0.5446 0.0084 -0.0021 -0.0153 425 TRP C CE3 +12265 C CZ2 A TRP C 407 ? 0.6399 0.4842 0.5069 0.0044 -0.0039 -0.0162 425 TRP C CZ2 +12266 C CZ2 B TRP C 407 ? 0.6388 0.4832 0.5058 0.0043 -0.0038 -0.0163 425 TRP C CZ2 +12267 C CZ3 A TRP C 407 ? 0.7526 0.6018 0.6272 0.0059 -0.0044 -0.0146 425 TRP C CZ3 +12268 C CZ3 B TRP C 407 ? 0.7539 0.6034 0.6286 0.0059 -0.0044 -0.0146 425 TRP C CZ3 +12269 C CH2 A TRP C 407 ? 0.6826 0.5280 0.5528 0.0038 -0.0053 -0.0151 425 TRP C CH2 +12270 C CH2 B TRP C 407 ? 0.6815 0.5271 0.5519 0.0038 -0.0052 -0.0151 425 TRP C CH2 +12271 N N A LEU C 408 ? 0.6666 0.5410 0.5573 0.0170 0.0075 -0.0175 426 LEU C N +12272 N N B LEU C 408 ? 0.6670 0.5412 0.5576 0.0169 0.0073 -0.0174 426 LEU C N +12273 C CA A LEU C 408 ? 0.6897 0.5684 0.5849 0.0199 0.0085 -0.0180 426 LEU C CA +12274 C CA B LEU C 408 ? 0.6894 0.5677 0.5844 0.0199 0.0083 -0.0180 426 LEU C CA +12275 C C A LEU C 408 ? 0.6866 0.5717 0.5880 0.0190 0.0078 -0.0168 426 LEU C C +12276 C C B LEU C 408 ? 0.6867 0.5714 0.5879 0.0190 0.0077 -0.0168 426 LEU C C +12277 O O A LEU C 408 ? 0.7392 0.6261 0.6438 0.0210 0.0070 -0.0167 426 LEU C O +12278 O O B LEU C 408 ? 0.7422 0.6288 0.6466 0.0210 0.0068 -0.0167 426 LEU C O +12279 C CB A LEU C 408 ? 0.6886 0.5696 0.5840 0.0217 0.0116 -0.0195 426 LEU C CB +12280 C CB B LEU C 408 ? 0.6902 0.5708 0.5853 0.0217 0.0114 -0.0195 426 LEU C CB +12281 C CG A LEU C 408 ? 0.6867 0.5612 0.5762 0.0238 0.0121 -0.0209 426 LEU C CG +12282 C CG B LEU C 408 ? 0.6862 0.5605 0.5755 0.0238 0.0121 -0.0209 426 LEU C CG +12283 C CD1 A LEU C 408 ? 0.7196 0.5959 0.6084 0.0251 0.0154 -0.0223 426 LEU C CD1 +12284 C CD1 B LEU C 408 ? 0.7201 0.5965 0.6090 0.0250 0.0154 -0.0223 426 LEU C CD1 +12285 C CD2 A LEU C 408 ? 0.6865 0.5587 0.5762 0.0270 0.0110 -0.0214 426 LEU C CD2 +12286 C CD2 B LEU C 408 ? 0.6869 0.5590 0.5765 0.0270 0.0110 -0.0214 426 LEU C CD2 +12287 N N A ALA C 409 ? 0.6444 0.5325 0.5473 0.0160 0.0080 -0.0159 427 ALA C N +12288 N N B ALA C 409 ? 0.6447 0.5326 0.5475 0.0161 0.0079 -0.0159 427 ALA C N +12289 C CA A ALA C 409 ? 0.6566 0.5508 0.5653 0.0151 0.0075 -0.0148 427 ALA C CA +12290 C CA B ALA C 409 ? 0.6559 0.5500 0.5647 0.0153 0.0074 -0.0148 427 ALA C CA +12291 C C A ALA C 409 ? 0.6660 0.5581 0.5749 0.0143 0.0046 -0.0135 427 ALA C C +12292 C C B ALA C 409 ? 0.6666 0.5588 0.5755 0.0143 0.0046 -0.0135 427 ALA C C +12293 O O A ALA C 409 ? 0.6876 0.5832 0.6006 0.0153 0.0037 -0.0131 427 ALA C O +12294 O O B ALA C 409 ? 0.6887 0.5844 0.6019 0.0152 0.0037 -0.0130 427 ALA C O +12295 C CB A ALA C 409 ? 0.5849 0.4825 0.4949 0.0122 0.0086 -0.0141 427 ALA C CB +12296 C CB B ALA C 409 ? 0.5837 0.4815 0.4939 0.0125 0.0087 -0.0143 427 ALA C CB +12297 N N A THR C 410 ? 0.6761 0.5628 0.5807 0.0124 0.0030 -0.0130 428 THR C N +12298 N N B THR C 410 ? 0.6764 0.5632 0.5810 0.0124 0.0030 -0.0130 428 THR C N +12299 C CA A THR C 410 ? 0.6786 0.5635 0.5834 0.0113 0.0004 -0.0117 428 THR C CA +12300 C CA B THR C 410 ? 0.6788 0.5638 0.5836 0.0113 0.0005 -0.0117 428 THR C CA +12301 C C A THR C 410 ? 0.7146 0.5965 0.6188 0.0140 -0.0006 -0.0120 428 THR C C +12302 C C B THR C 410 ? 0.7142 0.5963 0.6185 0.0140 -0.0006 -0.0120 428 THR C C +12303 O O A THR C 410 ? 0.7159 0.5994 0.6227 0.0145 -0.0019 -0.0112 428 THR C O +12304 O O B THR C 410 ? 0.7178 0.6015 0.6247 0.0143 -0.0019 -0.0111 428 THR C O +12305 C CB A THR C 410 ? 0.7349 0.6149 0.6354 0.0086 -0.0009 -0.0111 428 THR C CB +12306 C CB B THR C 410 ? 0.7370 0.6170 0.6374 0.0085 -0.0009 -0.0111 428 THR C CB +12307 O OG1 A THR C 410 ? 0.6761 0.5501 0.5714 0.0095 -0.0008 -0.0122 428 THR C OG1 +12308 O OG1 B THR C 410 ? 0.6755 0.5495 0.5708 0.0096 -0.0008 -0.0123 428 THR C OG1 +12309 C CG2 A THR C 410 ? 0.6191 0.5017 0.5198 0.0060 -0.0001 -0.0107 428 THR C CG2 +12310 C CG2 B THR C 410 ? 0.6170 0.4996 0.5176 0.0060 0.0000 -0.0108 428 THR C CG2 +12311 N N A SER C 411 ? 0.7050 0.5823 0.6053 0.0160 0.0000 -0.0133 429 SER C N +12312 N N B SER C 411 ? 0.7051 0.5826 0.6055 0.0160 0.0001 -0.0133 429 SER C N +12313 C CA A SER C 411 ? 0.7479 0.6219 0.6471 0.0188 -0.0009 -0.0136 429 SER C CA +12314 C CA B SER C 411 ? 0.7490 0.6231 0.6482 0.0187 -0.0009 -0.0136 429 SER C CA +12315 C C A SER C 411 ? 0.6811 0.5609 0.5856 0.0214 -0.0004 -0.0138 429 SER C C +12316 C C B SER C 411 ? 0.6806 0.5604 0.5851 0.0214 -0.0004 -0.0138 429 SER C C +12317 O O A SER C 411 ? 0.7333 0.6126 0.6390 0.0226 -0.0020 -0.0131 429 SER C O +12318 O O B SER C 411 ? 0.7348 0.6138 0.6402 0.0227 -0.0020 -0.0132 429 SER C O +12319 C CB A SER C 411 ? 0.6810 0.5495 0.5753 0.0207 0.0001 -0.0152 429 SER C CB +12320 C CB B SER C 411 ? 0.6796 0.5481 0.5739 0.0206 0.0000 -0.0151 429 SER C CB +12321 O OG A SER C 411 ? 0.6856 0.5576 0.5811 0.0220 0.0026 -0.0164 429 SER C OG +12322 O OG B SER C 411 ? 0.6894 0.5617 0.5853 0.0224 0.0025 -0.0164 429 SER C OG +12323 N N . HIS C 412 ? 0.6830 0.5684 0.5909 0.0222 0.0017 -0.0146 430 HIS C N +12324 C CA . HIS C 412 ? 0.6783 0.5694 0.5914 0.0249 0.0021 -0.0150 430 HIS C CA +12325 C C . HIS C 412 ? 0.7352 0.6318 0.6532 0.0233 0.0011 -0.0138 430 HIS C C +12326 O O . HIS C 412 ? 0.6883 0.5882 0.6099 0.0255 0.0004 -0.0138 430 HIS C O +12327 C CB . HIS C 412 ? 0.6527 0.5476 0.5674 0.0266 0.0049 -0.0166 430 HIS C CB +12328 C CG . HIS C 412 ? 0.7792 0.6691 0.6898 0.0295 0.0056 -0.0180 430 HIS C CG +12329 N ND1 . HIS C 412 ? 0.7482 0.6320 0.6530 0.0285 0.0061 -0.0184 430 HIS C ND1 +12330 C CD2 . HIS C 412 ? 0.7435 0.6329 0.6546 0.0334 0.0056 -0.0190 430 HIS C CD2 +12331 C CE1 . HIS C 412 ? 0.9441 0.8239 0.8458 0.0316 0.0065 -0.0196 430 HIS C CE1 +12332 N NE2 . HIS C 412 ? 0.7204 0.6034 0.6259 0.0347 0.0063 -0.0200 430 HIS C NE2 +12333 N N A PHE C 413 ? 0.7133 0.6108 0.6314 0.0198 0.0008 -0.0127 431 PHE C N +12334 N N B PHE C 413 ? 0.7140 0.6114 0.6320 0.0198 0.0008 -0.0127 431 PHE C N +12335 C CA A PHE C 413 ? 0.7142 0.6156 0.6362 0.0184 -0.0005 -0.0114 431 PHE C CA +12336 C CA B PHE C 413 ? 0.7146 0.6160 0.6366 0.0184 -0.0006 -0.0114 431 PHE C CA +12337 C C A PHE C 413 ? 0.7330 0.6303 0.6532 0.0189 -0.0030 -0.0104 431 PHE C C +12338 C C B PHE C 413 ? 0.7344 0.6317 0.6547 0.0190 -0.0030 -0.0104 431 PHE C C +12339 O O A PHE C 413 ? 0.6545 0.5547 0.5780 0.0201 -0.0041 -0.0100 431 PHE C O +12340 O O B PHE C 413 ? 0.6537 0.5539 0.5772 0.0201 -0.0042 -0.0100 431 PHE C O +12341 C CB A PHE C 413 ? 0.7189 0.6219 0.6412 0.0146 -0.0004 -0.0104 431 PHE C CB +12342 C CB B PHE C 413 ? 0.7192 0.6221 0.6415 0.0146 -0.0004 -0.0104 431 PHE C CB +12343 C CG A PHE C 413 ? 0.7511 0.6590 0.6779 0.0134 -0.0014 -0.0093 431 PHE C CG +12344 C CG B PHE C 413 ? 0.7526 0.6605 0.6794 0.0134 -0.0014 -0.0093 431 PHE C CG +12345 C CD1 A PHE C 413 ? 0.7212 0.6358 0.6528 0.0131 0.0000 -0.0096 431 PHE C CD1 +12346 C CD1 B PHE C 413 ? 0.7210 0.6355 0.6525 0.0130 0.0000 -0.0096 431 PHE C CD1 +12347 C CD2 A PHE C 413 ? 0.7229 0.6287 0.6492 0.0127 -0.0037 -0.0081 431 PHE C CD2 +12348 C CD2 B PHE C 413 ? 0.7230 0.6286 0.6491 0.0127 -0.0037 -0.0080 431 PHE C CD2 +12349 C CE1 A PHE C 413 ? 0.7263 0.6453 0.6620 0.0121 -0.0011 -0.0088 431 PHE C CE1 +12350 C CE1 B PHE C 413 ? 0.7271 0.6459 0.6625 0.0119 -0.0011 -0.0087 431 PHE C CE1 +12351 C CE2 A PHE C 413 ? 0.6768 0.5869 0.6070 0.0119 -0.0046 -0.0071 431 PHE C CE2 +12352 C CE2 B PHE C 413 ? 0.6761 0.5860 0.6061 0.0117 -0.0047 -0.0071 431 PHE C CE2 +12353 C CZ A PHE C 413 ? 0.7463 0.6629 0.6811 0.0115 -0.0034 -0.0075 431 PHE C CZ +12354 C CZ B PHE C 413 ? 0.7487 0.6652 0.6834 0.0113 -0.0034 -0.0075 431 PHE C CZ +12355 N N . VAL C 414 ? 0.6452 0.5355 0.5601 0.0181 -0.0039 -0.0102 432 VAL C N +12356 C CA . VAL C 414 ? 0.6216 0.5074 0.5345 0.0183 -0.0061 -0.0092 432 VAL C CA +12357 C C . VAL C 414 ? 0.6936 0.5788 0.6070 0.0222 -0.0065 -0.0098 432 VAL C C +12358 O O . VAL C 414 ? 0.7741 0.6599 0.6890 0.0230 -0.0080 -0.0090 432 VAL C O +12359 C CB . VAL C 414 ? 0.6882 0.5666 0.5954 0.0165 -0.0067 -0.0090 432 VAL C CB +12360 C CG1 . VAL C 414 ? 0.6646 0.5374 0.5690 0.0173 -0.0086 -0.0083 432 VAL C CG1 +12361 C CG2 . VAL C 414 ? 0.6421 0.5213 0.5490 0.0126 -0.0068 -0.0082 432 VAL C CG2 +12362 N N . LEU C 415 ? 0.6803 0.5642 0.5923 0.0248 -0.0052 -0.0113 433 LEU C N +12363 C CA . LEU C 415 ? 0.7504 0.6339 0.6629 0.0289 -0.0055 -0.0120 433 LEU C CA +12364 C C . LEU C 415 ? 0.6570 0.5482 0.5758 0.0305 -0.0055 -0.0121 433 LEU C C +12365 O O . LEU C 415 ? 0.7845 0.6756 0.7042 0.0328 -0.0070 -0.0118 433 LEU C O +12366 C CB . LEU C 415 ? 0.7021 0.5831 0.6121 0.0313 -0.0038 -0.0138 433 LEU C CB +12367 C CG . LEU C 415 ? 0.7488 0.6212 0.6521 0.0306 -0.0041 -0.0140 433 LEU C CG +12368 C CD1 . LEU C 415 ? 0.8211 0.6926 0.7225 0.0323 -0.0019 -0.0157 433 LEU C CD1 +12369 C CD2 . LEU C 415 ? 0.7457 0.6118 0.6456 0.0324 -0.0059 -0.0135 433 LEU C CD2 +12370 N N . ALA C 416 ? 0.6858 0.5836 0.6088 0.0293 -0.0039 -0.0126 434 ALA C N +12371 C CA . ALA C 416 ? 0.7385 0.6441 0.6677 0.0305 -0.0039 -0.0128 434 ALA C CA +12372 C C . ALA C 416 ? 0.7524 0.6592 0.6833 0.0291 -0.0060 -0.0112 434 ALA C C +12373 O O . ALA C 416 ? 0.6916 0.6017 0.6258 0.0313 -0.0071 -0.0113 434 ALA C O +12374 C CB . ALA C 416 ? 0.6436 0.5557 0.5767 0.0289 -0.0016 -0.0135 434 ALA C CB +12375 N N . PHE C 417 ? 0.6776 0.5817 0.6063 0.0256 -0.0067 -0.0099 435 PHE C N +12376 C CA . PHE C 417 ? 0.7287 0.6334 0.6585 0.0242 -0.0086 -0.0084 435 PHE C CA +12377 C C . PHE C 417 ? 0.6824 0.5825 0.6097 0.0267 -0.0105 -0.0079 435 PHE C C +12378 O O . PHE C 417 ? 0.7265 0.6294 0.6564 0.0281 -0.0119 -0.0076 435 PHE C O +12379 C CB . PHE C 417 ? 0.6766 0.5786 0.6040 0.0201 -0.0089 -0.0071 435 PHE C CB +12380 C CG . PHE C 417 ? 0.7329 0.6348 0.6609 0.0189 -0.0109 -0.0056 435 PHE C CG +12381 C CD1 . PHE C 417 ? 0.6283 0.5365 0.5611 0.0184 -0.0112 -0.0052 435 PHE C CD1 +12382 C CD2 . PHE C 417 ? 0.7448 0.6402 0.6685 0.0185 -0.0123 -0.0046 435 PHE C CD2 +12383 C CE1 . PHE C 417 ? 0.7531 0.6611 0.6862 0.0175 -0.0129 -0.0039 435 PHE C CE1 +12384 C CE2 . PHE C 417 ? 0.6442 0.5395 0.5683 0.0174 -0.0139 -0.0032 435 PHE C CE2 +12385 C CZ . PHE C 417 ? 0.7136 0.6152 0.6423 0.0171 -0.0142 -0.0028 435 PHE C CZ +12386 N N . PHE C 418 ? 0.7224 0.6150 0.6443 0.0272 -0.0108 -0.0080 436 PHE C N +12387 C CA . PHE C 418 ? 0.7842 0.6715 0.7030 0.0294 -0.0125 -0.0074 436 PHE C CA +12388 C C . PHE C 418 ? 0.7041 0.5941 0.6252 0.0339 -0.0127 -0.0085 436 PHE C C +12389 O O . PHE C 418 ? 0.7158 0.6042 0.6363 0.0359 -0.0144 -0.0079 436 PHE C O +12390 C CB . PHE C 418 ? 0.6606 0.5393 0.5731 0.0289 -0.0126 -0.0074 436 PHE C CB +12391 C CG . PHE C 418 ? 0.8032 0.6783 0.7131 0.0250 -0.0133 -0.0060 436 PHE C CG +12392 C CD1 . PHE C 418 ? 0.8225 0.6970 0.7326 0.0240 -0.0149 -0.0045 436 PHE C CD1 +12393 C CD2 . PHE C 418 ? 0.7579 0.6305 0.6654 0.0223 -0.0124 -0.0062 436 PHE C CD2 +12394 C CE1 . PHE C 418 ? 0.8017 0.6734 0.7098 0.0204 -0.0154 -0.0032 436 PHE C CE1 +12395 C CE2 . PHE C 418 ? 0.7262 0.5959 0.6316 0.0187 -0.0132 -0.0050 436 PHE C CE2 +12396 C CZ . PHE C 418 ? 0.7754 0.6448 0.6813 0.0177 -0.0146 -0.0035 436 PHE C CZ +12397 N N . PHE C 419 ? 0.6401 0.5342 0.5638 0.0356 -0.0110 -0.0101 437 PHE C N +12398 C CA . PHE C 419 ? 0.7015 0.5989 0.6281 0.0399 -0.0112 -0.0112 437 PHE C CA +12399 C C . PHE C 419 ? 0.7166 0.6217 0.6492 0.0401 -0.0121 -0.0109 437 PHE C C +12400 O O . PHE C 419 ? 0.7277 0.6343 0.6618 0.0435 -0.0134 -0.0113 437 PHE C O +12401 C CB . PHE C 419 ? 0.6507 0.5502 0.5783 0.0417 -0.0089 -0.0131 437 PHE C CB +12402 C CG . PHE C 419 ? 0.7978 0.6896 0.7197 0.0442 -0.0088 -0.0137 437 PHE C CG +12403 C CD1 . PHE C 419 ? 0.6687 0.5527 0.5847 0.0419 -0.0090 -0.0130 437 PHE C CD1 +12404 C CD2 . PHE C 419 ? 0.7431 0.6352 0.6655 0.0488 -0.0088 -0.0150 437 PHE C CD2 +12405 C CE1 . PHE C 419 ? 0.7955 0.6721 0.7061 0.0440 -0.0091 -0.0136 437 PHE C CE1 +12406 C CE2 . PHE C 419 ? 0.7904 0.6750 0.7073 0.0511 -0.0088 -0.0156 437 PHE C CE2 +12407 C CZ . PHE C 419 ? 0.8051 0.6818 0.7160 0.0486 -0.0089 -0.0148 437 PHE C CZ +12408 N N . LEU C 420 ? 0.6704 0.5800 0.6059 0.0365 -0.0116 -0.0104 438 LEU C N +12409 C CA . LEU C 420 ? 0.6626 0.5785 0.6031 0.0363 -0.0127 -0.0099 438 LEU C CA +12410 C C . LEU C 420 ? 0.6538 0.5656 0.5917 0.0364 -0.0152 -0.0084 438 LEU C C +12411 O O . LEU C 420 ? 0.7092 0.6239 0.6496 0.0387 -0.0167 -0.0084 438 LEU C O +12412 C CB . LEU C 420 ? 0.7067 0.6274 0.6503 0.0322 -0.0115 -0.0096 438 LEU C CB +12413 C CG . LEU C 420 ? 0.8127 0.7399 0.7614 0.0317 -0.0126 -0.0092 438 LEU C CG +12414 C CD1 . LEU C 420 ? 0.8395 0.7733 0.7935 0.0350 -0.0123 -0.0109 438 LEU C CD1 +12415 C CD2 . LEU C 420 ? 0.8553 0.7859 0.8061 0.0276 -0.0116 -0.0087 438 LEU C CD2 +12416 N N . VAL C 421 ? 0.7384 0.6433 0.6711 0.0341 -0.0156 -0.0071 439 VAL C N +12417 C CA . VAL C 421 ? 0.7030 0.6033 0.6327 0.0343 -0.0177 -0.0056 439 VAL C CA +12418 C C . VAL C 421 ? 0.8017 0.6986 0.7293 0.0388 -0.0189 -0.0061 439 VAL C C +12419 O O . VAL C 421 ? 0.6803 0.5769 0.6078 0.0405 -0.0207 -0.0054 439 VAL C O +12420 C CB . VAL C 421 ? 0.7750 0.6685 0.6996 0.0310 -0.0177 -0.0044 439 VAL C CB +12421 C CG1 . VAL C 421 ? 0.6952 0.5831 0.6160 0.0313 -0.0196 -0.0029 439 VAL C CG1 +12422 C CG2 . VAL C 421 ? 0.7580 0.6553 0.6850 0.0268 -0.0168 -0.0038 439 VAL C CG2 +12423 N N . GLY C 422 ? 0.6694 0.5634 0.5948 0.0410 -0.0178 -0.0073 440 GLY C N +12424 C CA . GLY C 422 ? 0.5869 0.4771 0.5099 0.0455 -0.0188 -0.0078 440 GLY C CA +12425 C C . GLY C 422 ? 0.7784 0.6758 0.7068 0.0490 -0.0196 -0.0088 440 GLY C C +12426 O O . GLY C 422 ? 0.7075 0.6030 0.6347 0.0521 -0.0215 -0.0085 440 GLY C O +12427 N N . HIS C 423 ? 0.6713 0.5771 0.6057 0.0485 -0.0182 -0.0100 441 HIS C N +12428 C CA . HIS C 423 ? 0.7401 0.6538 0.6805 0.0511 -0.0190 -0.0110 441 HIS C CA +12429 C C . HIS C 423 ? 0.7977 0.7125 0.7390 0.0505 -0.0213 -0.0096 441 HIS C C +12430 O O . HIS C 423 ? 0.7145 0.6306 0.6568 0.0540 -0.0232 -0.0099 441 HIS C O +12431 C CB . HIS C 423 ? 0.6040 0.5262 0.5506 0.0494 -0.0169 -0.0122 441 HIS C CB +12432 C CG . HIS C 423 ? 0.7484 0.6794 0.7017 0.0508 -0.0178 -0.0130 441 HIS C CG +12433 N ND1 . HIS C 423 ? 0.7225 0.6570 0.6787 0.0553 -0.0185 -0.0144 441 HIS C ND1 +12434 C CD2 . HIS C 423 ? 0.8475 0.7843 0.8051 0.0482 -0.0183 -0.0126 441 HIS C CD2 +12435 C CE1 . HIS C 423 ? 0.7703 0.7127 0.7325 0.0554 -0.0194 -0.0149 441 HIS C CE1 +12436 N NE2 . HIS C 423 ? 0.6542 0.5980 0.6173 0.0511 -0.0193 -0.0138 441 HIS C NE2 +12437 N N . LEU C 424 ? 0.6681 0.5827 0.6090 0.0462 -0.0213 -0.0083 442 LEU C N +12438 C CA . LEU C 424 ? 0.7559 0.6715 0.6974 0.0455 -0.0234 -0.0070 442 LEU C CA +12439 C C . LEU C 424 ? 0.7110 0.6188 0.6467 0.0478 -0.0253 -0.0059 442 LEU C C +12440 O O . LEU C 424 ? 0.6875 0.5966 0.6240 0.0502 -0.0273 -0.0057 442 LEU C O +12441 C CB . LEU C 424 ? 0.7779 0.6939 0.7194 0.0405 -0.0228 -0.0057 442 LEU C CB +12442 C CG . LEU C 424 ? 0.8231 0.7465 0.7700 0.0378 -0.0210 -0.0065 442 LEU C CG +12443 C CD1 . LEU C 424 ? 0.7523 0.6744 0.6980 0.0332 -0.0206 -0.0051 442 LEU C CD1 +12444 C CD2 . LEU C 424 ? 0.7170 0.6489 0.6703 0.0393 -0.0218 -0.0075 442 LEU C CD2 +12445 N N A TRP C 425 ? 0.6613 0.5610 0.5911 0.0470 -0.0247 -0.0052 443 TRP C N +12446 N N B TRP C 425 ? 0.6608 0.5604 0.5906 0.0469 -0.0248 -0.0052 443 TRP C N +12447 C CA A TRP C 425 ? 0.6459 0.5373 0.5697 0.0490 -0.0263 -0.0041 443 TRP C CA +12448 C CA B TRP C 425 ? 0.6438 0.5352 0.5676 0.0490 -0.0263 -0.0041 443 TRP C CA +12449 C C A TRP C 425 ? 0.7474 0.6394 0.6716 0.0544 -0.0276 -0.0052 443 TRP C C +12450 C C B TRP C 425 ? 0.7484 0.6406 0.6728 0.0545 -0.0276 -0.0052 443 TRP C C +12451 O O A TRP C 425 ? 0.7631 0.6539 0.6861 0.0566 -0.0297 -0.0045 443 TRP C O +12452 O O B TRP C 425 ? 0.7660 0.6575 0.6896 0.0566 -0.0297 -0.0045 443 TRP C O +12453 C CB A TRP C 425 ? 0.6730 0.5560 0.5909 0.0476 -0.0252 -0.0038 443 TRP C CB +12454 C CB B TRP C 425 ? 0.6730 0.5560 0.5908 0.0476 -0.0252 -0.0037 443 TRP C CB +12455 C CG A TRP C 425 ? 0.7371 0.6110 0.6484 0.0492 -0.0266 -0.0026 443 TRP C CG +12456 C CG B TRP C 425 ? 0.7372 0.6112 0.6486 0.0493 -0.0266 -0.0026 443 TRP C CG +12457 C CD1 A TRP C 425 ? 0.7415 0.6104 0.6493 0.0535 -0.0272 -0.0031 443 TRP C CD1 +12458 C CD1 B TRP C 425 ? 0.7417 0.6108 0.6496 0.0536 -0.0273 -0.0031 443 TRP C CD1 +12459 C CD2 A TRP C 425 ? 0.7723 0.6412 0.6798 0.0467 -0.0275 -0.0006 443 TRP C CD2 +12460 C CD2 B TRP C 425 ? 0.7738 0.6424 0.6811 0.0468 -0.0275 -0.0006 443 TRP C CD2 +12461 N NE1 A TRP C 425 ? 0.7694 0.6299 0.6710 0.0536 -0.0285 -0.0016 443 TRP C NE1 +12462 N NE1 B TRP C 425 ? 0.7702 0.6309 0.6719 0.0538 -0.0285 -0.0016 443 TRP C NE1 +12463 C CE2 A TRP C 425 ? 0.7356 0.5962 0.6371 0.0494 -0.0286 0.0000 443 TRP C CE2 +12464 C CE2 B TRP C 425 ? 0.7349 0.5952 0.6363 0.0496 -0.0286 -0.0001 443 TRP C CE2 +12465 C CE3 A TRP C 425 ? 0.7483 0.6187 0.6567 0.0424 -0.0274 0.0006 443 TRP C CE3 +12466 C CE3 B TRP C 425 ? 0.7501 0.6200 0.6582 0.0425 -0.0274 0.0007 443 TRP C CE3 +12467 C CZ2 A TRP C 425 ? 0.7842 0.6380 0.6807 0.0478 -0.0294 0.0018 443 TRP C CZ2 +12468 C CZ2 B TRP C 425 ? 0.7849 0.6383 0.6811 0.0480 -0.0294 0.0018 443 TRP C CZ2 +12469 C CZ3 A TRP C 425 ? 0.7709 0.6349 0.6745 0.0410 -0.0282 0.0024 443 TRP C CZ3 +12470 C CZ3 B TRP C 425 ? 0.7714 0.6347 0.6746 0.0411 -0.0282 0.0024 443 TRP C CZ3 +12471 C CH2 A TRP C 425 ? 0.8450 0.7008 0.7428 0.0435 -0.0291 0.0030 443 TRP C CH2 +12472 C CH2 B TRP C 425 ? 0.8514 0.7065 0.7487 0.0437 -0.0291 0.0030 443 TRP C CH2 +12473 N N . HIS C 426 ? 0.7226 0.6163 0.6483 0.0569 -0.0264 -0.0069 444 HIS C N +12474 C CA . HIS C 426 ? 0.7119 0.6053 0.6375 0.0624 -0.0275 -0.0080 444 HIS C CA +12475 C C . HIS C 426 ? 0.8015 0.7044 0.7339 0.0648 -0.0287 -0.0091 444 HIS C C +12476 O O . HIS C 426 ? 0.7267 0.6290 0.6586 0.0691 -0.0306 -0.0094 444 HIS C O +12477 C CB . HIS C 426 ? 0.6188 0.5102 0.5432 0.0643 -0.0257 -0.0095 444 HIS C CB +12478 C CG . HIS C 426 ? 0.7304 0.6113 0.6472 0.0634 -0.0252 -0.0087 444 HIS C CG +12479 N ND1 . HIS C 426 ? 0.7120 0.5844 0.6227 0.0658 -0.0268 -0.0078 444 HIS C ND1 +12480 C CD2 . HIS C 426 ? 0.7179 0.5952 0.6322 0.0605 -0.0233 -0.0088 444 HIS C CD2 +12481 C CE1 . HIS C 426 ? 0.7936 0.6578 0.6985 0.0641 -0.0258 -0.0073 444 HIS C CE1 +12482 N NE2 . HIS C 426 ? 0.7308 0.5979 0.6378 0.0609 -0.0238 -0.0079 444 HIS C NE2 +12483 N N . ALA C 427 ? 0.6649 0.5762 0.6036 0.0621 -0.0276 -0.0097 445 ALA C N +12484 C CA . ALA C 427 ? 0.7144 0.6347 0.6596 0.0640 -0.0289 -0.0107 445 ALA C CA +12485 C C . ALA C 427 ? 0.7469 0.6660 0.6908 0.0639 -0.0315 -0.0092 445 ALA C C +12486 O O . ALA C 427 ? 0.8251 0.7471 0.7709 0.0675 -0.0336 -0.0098 445 ALA C O +12487 C CB . ALA C 427 ? 0.6630 0.5922 0.6150 0.0608 -0.0270 -0.0116 445 ALA C CB +12488 N N . GLY C 428 ? 0.7452 0.6601 0.6857 0.0598 -0.0314 -0.0074 446 GLY C N +12489 C CA . GLY C 428 ? 0.6613 0.5745 0.5999 0.0597 -0.0337 -0.0059 446 GLY C CA +12490 C C . GLY C 428 ? 0.7770 0.6824 0.7096 0.0636 -0.0356 -0.0052 446 GLY C C +12491 O O . GLY C 428 ? 0.7347 0.6408 0.6671 0.0661 -0.0379 -0.0049 446 GLY C O +12492 N N . ARG C 429 ? 0.7352 0.6329 0.6624 0.0643 -0.0346 -0.0050 447 ARG C N +12493 C CA . ARG C 429 ? 0.8500 0.7396 0.7710 0.0680 -0.0362 -0.0043 447 ARG C CA +12494 C C . ARG C 429 ? 0.7743 0.6675 0.6978 0.0737 -0.0375 -0.0060 447 ARG C C +12495 O O . ARG C 429 ? 0.7909 0.6811 0.7116 0.0773 -0.0398 -0.0055 447 ARG C O +12496 C CB . ARG C 429 ? 0.6747 0.5549 0.5892 0.0671 -0.0347 -0.0037 447 ARG C CB +12497 C CG . ARG C 429 ? 0.6867 0.5569 0.5935 0.0696 -0.0363 -0.0024 447 ARG C CG +12498 C CD . ARG C 429 ? 0.7704 0.6312 0.6709 0.0696 -0.0350 -0.0023 447 ARG C CD +12499 N NE . ARG C 429 ? 0.7907 0.6416 0.6836 0.0713 -0.0364 -0.0008 447 ARG C NE +12500 C CZ . ARG C 429 ? 0.8272 0.6745 0.7172 0.0766 -0.0380 -0.0011 447 ARG C CZ +12501 N NH1 . ARG C 429 ? 0.8060 0.6584 0.6998 0.0807 -0.0382 -0.0031 447 ARG C NH1 +12502 N NH2 . ARG C 429 ? 0.7860 0.6246 0.6690 0.0777 -0.0393 0.0005 447 ARG C NH2 +12503 N N . ALA C 430 ? 0.7362 0.6361 0.6652 0.0748 -0.0361 -0.0080 448 ALA C N +12504 C CA . ALA C 430 ? 0.7562 0.6604 0.6884 0.0802 -0.0372 -0.0098 448 ALA C CA +12505 C C . ALA C 430 ? 0.7690 0.6799 0.7056 0.0817 -0.0397 -0.0100 448 ALA C C +12506 O O . ALA C 430 ? 0.8148 0.7247 0.7501 0.0865 -0.0420 -0.0103 448 ALA C O +12507 C CB . ALA C 430 ? 0.7567 0.6677 0.6946 0.0804 -0.0349 -0.0119 448 ALA C CB +12508 N N . ARG C 431 ? 0.7801 0.6978 0.7216 0.0779 -0.0393 -0.0099 449 ARG C N +12509 C CA . ARG C 431 ? 0.7659 0.6898 0.7114 0.0787 -0.0417 -0.0100 449 ARG C CA +12510 C C . ARG C 431 ? 0.8030 0.7195 0.7420 0.0802 -0.0443 -0.0082 449 ARG C C +12511 O O . ARG C 431 ? 0.7942 0.7125 0.7339 0.0841 -0.0469 -0.0086 449 ARG C O +12512 C CB . ARG C 431 ? 0.7383 0.6689 0.6890 0.0736 -0.0406 -0.0099 449 ARG C CB +12513 C CG . ARG C 431 ? 0.6876 0.6282 0.6464 0.0732 -0.0389 -0.0121 449 ARG C CG +12514 C CD . ARG C 431 ? 0.6653 0.6147 0.6304 0.0755 -0.0411 -0.0134 449 ARG C CD +12515 N NE . ARG C 431 ? 0.8068 0.7662 0.7802 0.0744 -0.0393 -0.0154 449 ARG C NE +12516 C CZ . ARG C 431 ? 0.7741 0.7423 0.7540 0.0729 -0.0399 -0.0163 449 ARG C CZ +12517 N NH1 . ARG C 431 ? 0.7226 0.6911 0.7020 0.0723 -0.0424 -0.0154 449 ARG C NH1 +12518 N NH2 . ARG C 431 ? 0.8445 0.8212 0.8316 0.0719 -0.0379 -0.0181 449 ARG C NH2 +12519 N N . ALA C 432 ? 0.7148 0.6230 0.6476 0.0769 -0.0435 -0.0062 450 ALA C N +12520 C CA . ALA C 432 ? 0.7333 0.6342 0.6596 0.0778 -0.0456 -0.0043 450 ALA C CA +12521 C C . ALA C 432 ? 0.8474 0.7416 0.7684 0.0833 -0.0471 -0.0043 450 ALA C C +12522 O O . ALA C 432 ? 0.7901 0.6822 0.7084 0.0863 -0.0497 -0.0037 450 ALA C O +12523 C CB . ALA C 432 ? 0.6623 0.5561 0.5835 0.0729 -0.0441 -0.0022 450 ALA C CB +12524 N N . ALA C 433 ? 0.7267 0.6170 0.6456 0.0847 -0.0456 -0.0050 451 ALA C N +12525 C CA . ALA C 433 ? 0.7370 0.6201 0.6503 0.0899 -0.0470 -0.0050 451 ALA C CA +12526 C C . ALA C 433 ? 0.7734 0.6634 0.6914 0.0954 -0.0492 -0.0068 451 ALA C C +12527 O O . ALA C 433 ? 0.8393 0.7250 0.7531 0.0996 -0.0516 -0.0063 451 ALA C O +12528 C CB . ALA C 433 ? 0.6539 0.5314 0.5641 0.0900 -0.0447 -0.0055 451 ALA C CB +12529 N N . ALA C 434 ? 0.7938 0.6945 0.7203 0.0954 -0.0483 -0.0089 452 ALA C N +12530 C CA . ALA C 434 ? 0.8061 0.7144 0.7379 0.1003 -0.0504 -0.0108 452 ALA C CA +12531 C C . ALA C 434 ? 0.8916 0.8020 0.8237 0.1013 -0.0535 -0.0101 452 ALA C C +12532 O O . ALA C 434 ? 0.9606 0.8718 0.8925 0.1066 -0.0562 -0.0108 452 ALA C O +12533 C CB . ALA C 434 ? 0.7917 0.7116 0.7331 0.0991 -0.0486 -0.0130 452 ALA C CB +12534 N N . ALA C 435 ? 0.9188 0.8303 0.8514 0.0965 -0.0533 -0.0088 453 ALA C N +12535 C CA . ALA C 435 ? 0.8690 0.7824 0.8017 0.0969 -0.0561 -0.0081 453 ALA C CA +12536 C C . ALA C 435 ? 0.8623 0.7644 0.7853 0.0979 -0.0576 -0.0057 453 ALA C C +12537 O O . ALA C 435 ? 0.9130 0.8151 0.8346 0.0997 -0.0603 -0.0052 453 ALA C O +12538 C CB . ALA C 435 ? 0.8018 0.7215 0.7393 0.0912 -0.0550 -0.0078 453 ALA C CB +12539 N N . GLY C 436 ? 0.8588 0.7511 0.7751 0.0968 -0.0559 -0.0044 454 GLY C N +12540 C CA . GLY C 436 ? 0.7300 0.6109 0.6368 0.0984 -0.0571 -0.0024 454 GLY C CA +12541 C C . GLY C 436 ? 0.8694 0.7441 0.7711 0.0936 -0.0563 0.0000 454 GLY C C +12542 O O . GLY C 436 ? 0.8423 0.7086 0.7366 0.0950 -0.0577 0.0017 454 GLY C O +12543 N N A PHE C 437 ? 0.7857 0.6639 0.6908 0.0880 -0.0541 0.0003 455 PHE C N +12544 N N B PHE C 437 ? 0.7860 0.6641 0.6911 0.0880 -0.0541 0.0002 455 PHE C N +12545 C CA A PHE C 437 ? 0.8151 0.6874 0.7153 0.0836 -0.0534 0.0025 455 PHE C CA +12546 C CA B PHE C 437 ? 0.8169 0.6890 0.7170 0.0836 -0.0534 0.0025 455 PHE C CA +12547 C C A PHE C 437 ? 0.7759 0.6446 0.6748 0.0788 -0.0502 0.0031 455 PHE C C +12548 C C B PHE C 437 ? 0.7772 0.6461 0.6763 0.0789 -0.0502 0.0031 455 PHE C C +12549 O O A PHE C 437 ? 0.7324 0.6004 0.6308 0.0741 -0.0491 0.0044 455 PHE C O +12550 O O B PHE C 437 ? 0.7332 0.6017 0.6320 0.0741 -0.0491 0.0043 455 PHE C O +12551 C CB A PHE C 437 ? 0.6863 0.5655 0.5907 0.0812 -0.0545 0.0027 455 PHE C CB +12552 C CB B PHE C 437 ? 0.6847 0.5637 0.5890 0.0813 -0.0545 0.0027 455 PHE C CB +12553 C CG A PHE C 437 ? 0.7934 0.6844 0.7074 0.0800 -0.0539 0.0007 455 PHE C CG +12554 C CG B PHE C 437 ? 0.7942 0.6852 0.7082 0.0802 -0.0540 0.0007 455 PHE C CG +12555 C CD1 A PHE C 437 ? 0.7455 0.6397 0.6631 0.0753 -0.0511 0.0005 455 PHE C CD1 +12556 C CD1 B PHE C 437 ? 0.7467 0.6411 0.6644 0.0754 -0.0512 0.0005 455 PHE C CD1 +12557 C CD2 A PHE C 437 ? 0.7234 0.6225 0.6428 0.0834 -0.0562 -0.0009 455 PHE C CD2 +12558 C CD2 B PHE C 437 ? 0.7190 0.6178 0.6382 0.0838 -0.0563 -0.0010 455 PHE C CD2 +12559 C CE1 A PHE C 437 ? 0.7925 0.6974 0.7188 0.0740 -0.0504 -0.0013 455 PHE C CE1 +12560 C CE1 B PHE C 437 ? 0.7947 0.6998 0.7210 0.0741 -0.0506 -0.0013 455 PHE C CE1 +12561 C CE2 A PHE C 437 ? 0.7915 0.7016 0.7199 0.0819 -0.0555 -0.0028 455 PHE C CE2 +12562 C CE2 B PHE C 437 ? 0.7929 0.7028 0.7211 0.0824 -0.0557 -0.0028 455 PHE C CE2 +12563 C CZ A PHE C 437 ? 0.7612 0.6740 0.6928 0.0772 -0.0526 -0.0029 455 PHE C CZ +12564 C CZ B PHE C 437 ? 0.7621 0.6750 0.6937 0.0776 -0.0528 -0.0030 455 PHE C CZ +12565 N N A GLU C 438 ? 0.7493 0.6156 0.6476 0.0802 -0.0488 0.0022 456 GLU C N +12566 N N B GLU C 438 ? 0.7481 0.6145 0.6465 0.0802 -0.0488 0.0021 456 GLU C N +12567 C CA A GLU C 438 ? 0.7298 0.5926 0.6267 0.0759 -0.0460 0.0026 456 GLU C CA +12568 C CA B GLU C 438 ? 0.7289 0.5919 0.6260 0.0759 -0.0460 0.0025 456 GLU C CA +12569 C C A GLU C 438 ? 0.7551 0.6064 0.6434 0.0740 -0.0455 0.0048 456 GLU C C +12570 C C B GLU C 438 ? 0.7551 0.6066 0.6436 0.0740 -0.0455 0.0047 456 GLU C C +12571 O O A GLU C 438 ? 0.8081 0.6566 0.6952 0.0699 -0.0433 0.0053 456 GLU C O +12572 O O B GLU C 438 ? 0.8108 0.6593 0.6979 0.0699 -0.0433 0.0052 456 GLU C O +12573 C CB A GLU C 438 ? 0.7213 0.5850 0.6200 0.0781 -0.0447 0.0008 456 GLU C CB +12574 C CB B GLU C 438 ? 0.7194 0.5834 0.6183 0.0780 -0.0447 0.0008 456 GLU C CB +12575 C CG A GLU C 438 ? 0.8216 0.6749 0.7127 0.0813 -0.0448 0.0012 456 GLU C CG +12576 C CG B GLU C 438 ? 0.8203 0.6741 0.7118 0.0812 -0.0448 0.0011 456 GLU C CG +12577 C CD A GLU C 438 ? 0.9439 0.7959 0.8332 0.0876 -0.0475 0.0007 456 GLU C CD +12578 C CD B GLU C 438 ? 0.9473 0.7997 0.8369 0.0875 -0.0474 0.0007 456 GLU C CD +12579 O OE1 A GLU C 438 ? 0.8075 0.6665 0.7011 0.0895 -0.0495 0.0002 456 GLU C OE1 +12580 O OE1 B GLU C 438 ? 0.8075 0.6666 0.7011 0.0893 -0.0494 0.0002 456 GLU C OE1 +12581 O OE2 A GLU C 438 ? 0.8806 0.7244 0.7640 0.0908 -0.0477 0.0008 456 GLU C OE2 +12582 O OE2 B GLU C 438 ? 0.8792 0.7236 0.7631 0.0906 -0.0475 0.0007 456 GLU C OE2 +12583 N N A LYS C 439 ? 0.7489 0.5936 0.6311 0.0768 -0.0474 0.0060 457 LYS C N +12584 N N B LYS C 439 ? 0.7475 0.5925 0.6300 0.0768 -0.0473 0.0060 457 LYS C N +12585 C CA A LYS C 439 ? 0.7793 0.6129 0.6533 0.0749 -0.0468 0.0081 457 LYS C CA +12586 C CA B LYS C 439 ? 0.7784 0.6123 0.6526 0.0750 -0.0468 0.0081 457 LYS C CA +12587 C C A LYS C 439 ? 0.7515 0.5845 0.6239 0.0719 -0.0473 0.0099 457 LYS C C +12588 C C B LYS C 439 ? 0.7503 0.5836 0.6229 0.0720 -0.0473 0.0099 457 LYS C C +12589 O O A LYS C 439 ? 0.8094 0.6337 0.6752 0.0699 -0.0467 0.0117 457 LYS C O +12590 O O B LYS C 439 ? 0.8090 0.6336 0.6751 0.0698 -0.0466 0.0117 457 LYS C O +12591 C CB A LYS C 439 ? 0.8792 0.7038 0.7460 0.0799 -0.0481 0.0085 457 LYS C CB +12592 C CB B LYS C 439 ? 0.8796 0.7047 0.7468 0.0801 -0.0482 0.0084 457 LYS C CB +12593 C CG A LYS C 439 ? 0.9102 0.7340 0.7775 0.0830 -0.0475 0.0068 457 LYS C CG +12594 C CG B LYS C 439 ? 0.9098 0.7341 0.7775 0.0830 -0.0475 0.0067 457 LYS C CG +12595 C CD A LYS C 439 ? 0.9323 0.7482 0.7931 0.0887 -0.0493 0.0070 457 LYS C CD +12596 C CD B LYS C 439 ? 0.9320 0.7485 0.7933 0.0887 -0.0493 0.0068 457 LYS C CD +12597 C CE A LYS C 439 ? 0.9771 0.7926 0.8387 0.0918 -0.0485 0.0052 457 LYS C CE +12598 C CE B LYS C 439 ? 0.9761 0.7924 0.8384 0.0918 -0.0485 0.0050 457 LYS C CE +12599 N NZ A LYS C 439 ? 1.2538 1.0629 1.1100 0.0979 -0.0504 0.0050 457 LYS C NZ +12600 N NZ B LYS C 439 ? 1.2553 1.0645 1.1117 0.0978 -0.0502 0.0050 457 LYS C NZ +12601 N N A GLY C 440 ? 0.6663 0.5084 0.5447 0.0715 -0.0484 0.0094 458 GLY C N +12602 N N B GLY C 440 ? 0.6640 0.5061 0.5423 0.0717 -0.0484 0.0094 458 GLY C N +12603 C CA A GLY C 440 ? 0.7484 0.5906 0.6256 0.0689 -0.0489 0.0109 458 GLY C CA +12604 C CA B GLY C 440 ? 0.7493 0.5914 0.6265 0.0690 -0.0489 0.0109 458 GLY C CA +12605 C C A GLY C 440 ? 0.7755 0.6223 0.6545 0.0725 -0.0517 0.0105 458 GLY C C +12606 C C B GLY C 440 ? 0.7766 0.6234 0.6556 0.0726 -0.0518 0.0105 458 GLY C C +12607 O O A GLY C 440 ? 0.7743 0.6244 0.6555 0.0771 -0.0534 0.0090 458 GLY C O +12608 O O B GLY C 440 ? 0.7755 0.6250 0.6562 0.0773 -0.0535 0.0092 458 GLY C O +12609 N N A ILE C 441 ? 0.7513 0.5986 0.6295 0.0703 -0.0523 0.0118 459 ILE C N +12610 N N B ILE C 441 ? 0.7495 0.5973 0.6281 0.0702 -0.0523 0.0117 459 ILE C N +12611 C CA A ILE C 441 ? 0.7568 0.6088 0.6367 0.0730 -0.0550 0.0115 459 ILE C CA +12612 C CA B ILE C 441 ? 0.7556 0.6078 0.6356 0.0729 -0.0550 0.0115 459 ILE C CA +12613 C C A ILE C 441 ? 0.8174 0.6605 0.6891 0.0768 -0.0569 0.0128 459 ILE C C +12614 C C B ILE C 441 ? 0.8184 0.6616 0.6902 0.0768 -0.0569 0.0128 459 ILE C C +12615 O O A ILE C 441 ? 0.7927 0.6263 0.6571 0.0752 -0.0559 0.0148 459 ILE C O +12616 O O B ILE C 441 ? 0.7936 0.6274 0.6581 0.0751 -0.0559 0.0147 459 ILE C O +12617 C CB A ILE C 441 ? 0.8102 0.6668 0.6929 0.0687 -0.0546 0.0121 459 ILE C CB +12618 C CB B ILE C 441 ? 0.8117 0.6684 0.6945 0.0686 -0.0546 0.0122 459 ILE C CB +12619 C CG1 A ILE C 441 ? 0.8316 0.6974 0.7227 0.0653 -0.0529 0.0107 459 ILE C CG1 +12620 C CG1 B ILE C 441 ? 0.8345 0.7008 0.7258 0.0654 -0.0530 0.0106 459 ILE C CG1 +12621 C CG2 A ILE C 441 ? 0.6851 0.5449 0.5681 0.0713 -0.0575 0.0121 459 ILE C CG2 +12622 C CG2 B ILE C 441 ? 0.6823 0.5414 0.5647 0.0713 -0.0576 0.0123 459 ILE C CG2 +12623 C CD1 A ILE C 441 ? 0.7037 0.5722 0.5966 0.0601 -0.0517 0.0116 459 ILE C CD1 +12624 C CD1 B ILE C 441 ? 0.7028 0.5717 0.5960 0.0602 -0.0518 0.0115 459 ILE C CD1 +12625 N N A ASP C 442 ? 0.8527 0.6985 0.7252 0.0820 -0.0597 0.0118 460 ASP C N +12626 N N B ASP C 442 ? 0.8538 0.6996 0.7264 0.0820 -0.0597 0.0117 460 ASP C N +12627 C CA A ASP C 442 ? 0.8130 0.6507 0.6776 0.0860 -0.0619 0.0130 460 ASP C CA +12628 C CA B ASP C 442 ? 0.8121 0.6500 0.6769 0.0860 -0.0618 0.0130 460 ASP C CA +12629 C C A ASP C 442 ? 0.7586 0.5950 0.6203 0.0840 -0.0627 0.0146 460 ASP C C +12630 C C B ASP C 442 ? 0.7554 0.5921 0.6174 0.0839 -0.0626 0.0146 460 ASP C C +12631 O O A ASP C 442 ? 0.7956 0.6404 0.6628 0.0835 -0.0639 0.0138 460 ASP C O +12632 O O B ASP C 442 ? 0.7949 0.6400 0.6625 0.0833 -0.0638 0.0137 460 ASP C O +12633 C CB A ASP C 442 ? 0.9366 0.7785 0.8036 0.0923 -0.0649 0.0113 460 ASP C CB +12634 C CB B ASP C 442 ? 0.9372 0.7793 0.8044 0.0922 -0.0648 0.0112 460 ASP C CB +12635 C CG A ASP C 442 ? 0.9543 0.7882 0.8130 0.0969 -0.0675 0.0125 460 ASP C CG +12636 C CG B ASP C 442 ? 0.9550 0.7888 0.8138 0.0968 -0.0674 0.0125 460 ASP C CG +12637 O OD1 A ASP C 442 ? 0.9597 0.7832 0.8100 0.0956 -0.0667 0.0147 460 ASP C OD1 +12638 O OD1 B ASP C 442 ? 0.9688 0.7919 0.8191 0.0957 -0.0664 0.0146 460 ASP C OD1 +12639 O OD2 A ASP C 442 ? 1.0680 0.9060 0.9287 0.1019 -0.0705 0.0112 460 ASP C OD2 +12640 O OD2 B ASP C 442 ? 1.0688 0.9066 0.9293 0.1016 -0.0704 0.0113 460 ASP C OD2 +12641 N N A ARG C 443 ? 0.7611 0.5871 0.6143 0.0827 -0.0618 0.0169 461 ARG C N +12642 N N B ARG C 443 ? 0.7584 0.5845 0.6118 0.0828 -0.0618 0.0168 461 ARG C N +12643 C CA A ARG C 443 ? 0.8367 0.6609 0.6868 0.0804 -0.0621 0.0185 461 ARG C CA +12644 C CA B ARG C 443 ? 0.8356 0.6600 0.6859 0.0805 -0.0621 0.0185 461 ARG C CA +12645 C C A ARG C 443 ? 0.8987 0.7262 0.7488 0.0846 -0.0656 0.0181 461 ARG C C +12646 C C B ARG C 443 ? 0.8986 0.7265 0.7490 0.0846 -0.0656 0.0180 461 ARG C C +12647 O O A ARG C 443 ? 0.9946 0.8270 0.8471 0.0827 -0.0662 0.0182 461 ARG C O +12648 O O B ARG C 443 ? 0.9983 0.8315 0.8515 0.0827 -0.0663 0.0180 461 ARG C O +12649 C CB A ARG C 443 ? 0.8186 0.6304 0.6589 0.0790 -0.0606 0.0210 461 ARG C CB +12650 C CB B ARG C 443 ? 0.8177 0.6296 0.6581 0.0791 -0.0607 0.0210 461 ARG C CB +12651 C CG A ARG C 443 ? 0.8726 0.6815 0.7129 0.0738 -0.0571 0.0217 461 ARG C CG +12652 C CG B ARG C 443 ? 0.8736 0.6827 0.7140 0.0740 -0.0572 0.0216 461 ARG C CG +12653 C CD A ARG C 443 ? 0.8735 0.6703 0.7043 0.0724 -0.0558 0.0240 461 ARG C CD +12654 C CD B ARG C 443 ? 0.8739 0.6706 0.7047 0.0728 -0.0558 0.0239 461 ARG C CD +12655 N NE A ARG C 443 ? 0.8702 0.6643 0.7011 0.0675 -0.0526 0.0245 461 ARG C NE +12656 N NE B ARG C 443 ? 0.8702 0.6644 0.7012 0.0678 -0.0526 0.0244 461 ARG C NE +12657 C CZ A ARG C 443 ? 0.8862 0.6816 0.7184 0.0623 -0.0505 0.0255 461 ARG C CZ +12658 C CZ B ARG C 443 ? 0.8865 0.6821 0.7189 0.0626 -0.0507 0.0254 461 ARG C CZ +12659 N NH1 A ARG C 443 ? 0.8458 0.6454 0.6795 0.0611 -0.0512 0.0259 461 ARG C NH1 +12660 N NH1 B ARG C 443 ? 0.8456 0.6455 0.6795 0.0614 -0.0514 0.0258 461 ARG C NH1 +12661 N NH2 A ARG C 443 ? 0.8431 0.6355 0.6751 0.0582 -0.0478 0.0258 461 ARG C NH2 +12662 N NH2 B ARG C 443 ? 0.8424 0.6349 0.6744 0.0584 -0.0479 0.0258 461 ARG C NH2 +12663 N N . GLU C 444 ? 0.8760 0.7008 0.7232 0.0903 -0.0680 0.0175 462 GLU C N +12664 C CA . GLU C 444 ? 0.9023 0.7297 0.7490 0.0946 -0.0716 0.0170 462 GLU C CA +12665 C C . GLU C 444 ? 0.8338 0.6743 0.6907 0.0959 -0.0733 0.0144 462 GLU C C +12666 O O . GLU C 444 ? 0.9018 0.7459 0.7595 0.0994 -0.0765 0.0137 462 GLU C O +12667 C CB . GLU C 444 ? 0.8918 0.7112 0.7312 0.1007 -0.0737 0.0174 462 GLU C CB +12668 C CG . GLU C 444 ? 1.1642 0.9722 0.9962 0.1001 -0.0715 0.0190 462 GLU C CG +12669 C CD . GLU C 444 ? 1.1067 0.9054 0.9308 0.0964 -0.0696 0.0217 462 GLU C CD +12670 O OE1 . GLU C 444 ? 1.0641 0.8644 0.8875 0.0950 -0.0705 0.0224 462 GLU C OE1 +12671 O OE2 . GLU C 444 ? 1.4043 1.1939 1.2228 0.0948 -0.0673 0.0229 462 GLU C OE2 +12672 N N . SER C 445 ? 0.8062 0.6538 0.6708 0.0931 -0.0713 0.0130 463 SER C N +12673 C CA . SER C 445 ? 0.8977 0.7576 0.7722 0.0943 -0.0726 0.0104 463 SER C CA +12674 C C . SER C 445 ? 0.9300 0.7975 0.8121 0.0887 -0.0700 0.0097 463 SER C C +12675 O O . SER C 445 ? 0.8521 0.7284 0.7422 0.0888 -0.0697 0.0076 463 SER C O +12676 C CB . SER C 445 ? 0.8194 0.6802 0.6957 0.0990 -0.0732 0.0088 463 SER C CB +12677 O OG . SER C 445 ? 1.1876 1.0596 1.0724 0.1014 -0.0752 0.0062 463 SER C OG +12678 N N A GLU C 446 ? 0.8256 0.6899 0.7050 0.0838 -0.0681 0.0114 464 GLU C N +12679 N N B GLU C 446 ? 0.8258 0.6899 0.7052 0.0838 -0.0680 0.0114 464 GLU C N +12680 C CA A GLU C 446 ? 0.7923 0.6624 0.6778 0.0783 -0.0655 0.0110 464 GLU C CA +12681 C CA B GLU C 446 ? 0.7922 0.6623 0.6777 0.0784 -0.0654 0.0110 464 GLU C CA +12682 C C A GLU C 446 ? 0.7726 0.6545 0.6669 0.0781 -0.0668 0.0090 464 GLU C C +12683 C C B GLU C 446 ? 0.7723 0.6542 0.6665 0.0781 -0.0668 0.0090 464 GLU C C +12684 O O A GLU C 446 ? 0.7570 0.6410 0.6510 0.0783 -0.0688 0.0092 464 GLU C O +12685 O O B GLU C 446 ? 0.7562 0.6401 0.6502 0.0782 -0.0687 0.0092 464 GLU C O +12686 C CB A GLU C 446 ? 0.7612 0.6259 0.6421 0.0737 -0.0637 0.0132 464 GLU C CB +12687 C CB B GLU C 446 ? 0.7601 0.6245 0.6408 0.0738 -0.0636 0.0132 464 GLU C CB +12688 C CG A GLU C 446 ? 0.7991 0.6696 0.6859 0.0682 -0.0611 0.0129 464 GLU C CG +12689 C CG B GLU C 446 ? 0.7986 0.6694 0.6854 0.0683 -0.0613 0.0129 464 GLU C CG +12690 C CD A GLU C 446 ? 0.7865 0.6505 0.6683 0.0638 -0.0588 0.0150 464 GLU C CD +12691 C CD B GLU C 446 ? 0.7879 0.6518 0.6697 0.0639 -0.0588 0.0150 464 GLU C CD +12692 O OE1 A GLU C 446 ? 0.7577 0.6129 0.6316 0.0648 -0.0591 0.0168 464 GLU C OE1 +12693 O OE1 B GLU C 446 ? 0.7572 0.6121 0.6310 0.0648 -0.0590 0.0169 464 GLU C OE1 +12694 O OE2 A GLU C 446 ? 0.7850 0.6524 0.6707 0.0594 -0.0565 0.0149 464 GLU C OE2 +12695 O OE2 B GLU C 446 ? 0.7864 0.6540 0.6723 0.0596 -0.0566 0.0148 464 GLU C OE2 +12696 N N . PRO C 447 ? 0.7573 0.6470 0.6592 0.0777 -0.0659 0.0071 465 PRO C N +12697 C CA . PRO C 447 ? 0.8047 0.7057 0.7151 0.0777 -0.0672 0.0050 465 PRO C CA +12698 C C . PRO C 447 ? 0.8208 0.7253 0.7332 0.0735 -0.0670 0.0055 465 PRO C C +12699 O O . PRO C 447 ? 0.7992 0.7101 0.7153 0.0745 -0.0693 0.0043 465 PRO C O +12700 C CB . PRO C 447 ? 0.7372 0.6441 0.6544 0.0768 -0.0652 0.0033 465 PRO C CB +12701 C CG . PRO C 447 ? 0.7296 0.6286 0.6417 0.0787 -0.0640 0.0039 465 PRO C CG +12702 C CD . PRO C 447 ? 0.7049 0.5931 0.6077 0.0775 -0.0636 0.0066 465 PRO C CD +12703 N N A VAL C 448 ? 0.7985 0.6991 0.7084 0.0688 -0.0643 0.0071 466 VAL C N +12704 N N B VAL C 448 ? 0.7990 0.6996 0.7090 0.0688 -0.0644 0.0071 466 VAL C N +12705 C CA A VAL C 448 ? 0.8143 0.7186 0.7265 0.0647 -0.0639 0.0074 466 VAL C CA +12706 C CA B VAL C 448 ? 0.8145 0.7188 0.7267 0.0648 -0.0640 0.0074 466 VAL C CA +12707 C C A VAL C 448 ? 0.8631 0.7641 0.7702 0.0662 -0.0664 0.0085 466 VAL C C +12708 C C B VAL C 448 ? 0.8638 0.7648 0.7710 0.0663 -0.0664 0.0085 466 VAL C C +12709 O O A VAL C 448 ? 0.8265 0.7325 0.7365 0.0646 -0.0673 0.0081 466 VAL C O +12710 O O B VAL C 448 ? 0.8272 0.7334 0.7374 0.0649 -0.0675 0.0080 466 VAL C O +12711 C CB A VAL C 448 ? 0.8067 0.7076 0.7175 0.0597 -0.0605 0.0088 466 VAL C CB +12712 C CB B VAL C 448 ? 0.8073 0.7084 0.7183 0.0597 -0.0606 0.0088 466 VAL C CB +12713 C CG1 A VAL C 448 ? 0.8009 0.7012 0.7101 0.0562 -0.0602 0.0101 466 VAL C CG1 +12714 C CG1 B VAL C 448 ? 0.7996 0.7010 0.7097 0.0561 -0.0602 0.0099 466 VAL C CG1 +12715 C CG2 A VAL C 448 ? 0.7631 0.6708 0.6812 0.0574 -0.0585 0.0073 466 VAL C CG2 +12716 C CG2 B VAL C 448 ? 0.7635 0.6711 0.6816 0.0576 -0.0585 0.0072 466 VAL C CG2 +12717 N N A LEU C 449 ? 0.8859 0.7784 0.7853 0.0694 -0.0675 0.0098 467 LEU C N +12718 N N B LEU C 449 ? 0.8871 0.7795 0.7865 0.0694 -0.0675 0.0098 467 LEU C N +12719 C CA A LEU C 449 ? 0.8642 0.7528 0.7580 0.0711 -0.0698 0.0109 467 LEU C CA +12720 C CA B LEU C 449 ? 0.8639 0.7524 0.7577 0.0711 -0.0698 0.0109 467 LEU C CA +12721 C C A LEU C 449 ? 0.8459 0.7413 0.7434 0.0749 -0.0735 0.0091 467 LEU C C +12722 C C B LEU C 449 ? 0.8451 0.7405 0.7426 0.0749 -0.0734 0.0091 467 LEU C C +12723 O O A LEU C 449 ? 0.9298 0.8244 0.8245 0.0756 -0.0755 0.0096 467 LEU C O +12724 O O B LEU C 449 ? 0.9309 0.8253 0.8254 0.0756 -0.0755 0.0096 467 LEU C O +12725 C CB A LEU C 449 ? 0.8829 0.7601 0.7671 0.0735 -0.0700 0.0129 467 LEU C CB +12726 C CB B LEU C 449 ? 0.8826 0.7598 0.7668 0.0736 -0.0699 0.0129 467 LEU C CB +12727 C CG A LEU C 449 ? 0.8985 0.7685 0.7783 0.0695 -0.0665 0.0149 467 LEU C CG +12728 C CG B LEU C 449 ? 0.8990 0.7689 0.7787 0.0695 -0.0665 0.0149 467 LEU C CG +12729 C CD1 A LEU C 449 ? 0.8411 0.6997 0.7110 0.0717 -0.0667 0.0169 467 LEU C CD1 +12730 C CD1 B LEU C 449 ? 0.8405 0.6990 0.7104 0.0717 -0.0667 0.0169 467 LEU C CD1 +12731 C CD2 A LEU C 449 ? 0.9089 0.7809 0.7899 0.0645 -0.0649 0.0157 467 LEU C CD2 +12732 C CD2 B LEU C 449 ? 0.9100 0.7821 0.7911 0.0646 -0.0650 0.0156 467 LEU C CD2 +12733 N N . SER C 450 ? 0.8489 0.7512 0.7529 0.0772 -0.0743 0.0069 468 SER C N +12734 C CA . SER C 450 ? 0.8621 0.7719 0.7708 0.0806 -0.0777 0.0048 468 SER C CA +12735 C C . SER C 450 ? 0.8593 0.7800 0.7773 0.0774 -0.0774 0.0030 468 SER C C +12736 O O . SER C 450 ? 0.8960 0.8241 0.8191 0.0798 -0.0800 0.0010 468 SER C O +12737 C CB . SER C 450 ? 0.9199 0.8312 0.8304 0.0856 -0.0791 0.0034 468 SER C CB +12738 O OG . SER C 450 ? 1.1042 1.0051 1.0061 0.0885 -0.0792 0.0051 468 SER C OG +12739 N N . MET C 451 ? 0.8836 0.8053 0.8037 0.0723 -0.0743 0.0036 469 MET C N +12740 C CA . MET C 451 ? 0.8195 0.7508 0.7479 0.0691 -0.0737 0.0019 469 MET C CA +12741 C C . MET C 451 ? 0.8454 0.7765 0.7722 0.0661 -0.0741 0.0027 469 MET C C +12742 O O . MET C 451 ? 0.8424 0.7657 0.7621 0.0648 -0.0733 0.0049 469 MET C O +12743 C CB . MET C 451 ? 0.8513 0.7845 0.7837 0.0654 -0.0700 0.0018 469 MET C CB +12744 C CG . MET C 451 ? 0.7470 0.6804 0.6811 0.0680 -0.0693 0.0009 469 MET C CG +12745 S SD . MET C 451 ? 0.8173 0.7517 0.7548 0.0635 -0.0649 0.0009 469 MET C SD +12746 C CE . MET C 451 ? 0.6368 0.5704 0.5750 0.0678 -0.0648 -0.0002 469 MET C CE +12747 N N . PRO C 452 ? 0.8128 0.7524 0.7460 0.0649 -0.0753 0.0010 470 PRO C N +12748 C CA . PRO C 452 ? 0.7695 0.7091 0.7014 0.0616 -0.0754 0.0017 470 PRO C CA +12749 C C . PRO C 452 ? 0.8630 0.7996 0.7939 0.0567 -0.0717 0.0032 470 PRO C C +12750 O O . PRO C 452 ? 0.8767 0.8149 0.8110 0.0549 -0.0691 0.0029 470 PRO C O +12751 C CB . PRO C 452 ? 0.7120 0.6622 0.6524 0.0610 -0.0769 -0.0008 470 PRO C CB +12752 C CG . PRO C 452 ? 0.8877 0.8437 0.8348 0.0621 -0.0761 -0.0026 470 PRO C CG +12753 C CD . PRO C 452 ? 0.7145 0.6641 0.6565 0.0661 -0.0764 -0.0017 470 PRO C CD +12754 N N . SER C 453 ? 0.7405 0.6728 0.6667 0.0545 -0.0714 0.0048 471 SER C N +12755 C CA . SER C 453 ? 0.8866 0.8163 0.8118 0.0499 -0.0680 0.0062 471 SER C CA +12756 C C . SER C 453 ? 0.7862 0.7241 0.7192 0.0463 -0.0668 0.0047 471 SER C C +12757 O O . SER C 453 ? 0.9192 0.8642 0.8574 0.0469 -0.0687 0.0028 471 SER C O +12758 C CB . SER C 453 ? 0.8015 0.7250 0.7198 0.0486 -0.0681 0.0082 471 SER C CB +12759 O OG . SER C 453 ? 1.0671 0.9955 0.9886 0.0461 -0.0685 0.0075 471 SER C OG +12760 N N . LEU C 454 ? 0.8121 0.7491 0.7460 0.0426 -0.0636 0.0055 472 LEU C N +12761 C CA . LEU C 454 ? 0.8781 0.8223 0.8190 0.0392 -0.0621 0.0041 472 LEU C CA +12762 C C . LEU C 454 ? 0.8368 0.7825 0.7777 0.0366 -0.0626 0.0043 472 LEU C C +12763 O O . LEU C 454 ? 0.8911 0.8436 0.8379 0.0348 -0.0626 0.0027 472 LEU C O +12764 C CB . LEU C 454 ? 0.7916 0.7343 0.7333 0.0363 -0.0587 0.0048 472 LEU C CB +12765 C CG . LEU C 454 ? 0.9003 0.8421 0.8428 0.0383 -0.0578 0.0044 472 LEU C CG +12766 C CD1 . LEU C 454 ? 0.8128 0.7517 0.7546 0.0351 -0.0545 0.0055 472 LEU C CD1 +12767 C CD2 . LEU C 454 ? 0.7527 0.7026 0.7024 0.0398 -0.0586 0.0020 472 LEU C CD2 +12768 N N . ASP C 455 ? 0.7774 0.7169 0.7118 0.0364 -0.0628 0.0061 473 ASP C N +12769 C CA . ASP C 455 ? 0.8620 0.8022 0.7957 0.0341 -0.0632 0.0063 473 ASP C CA +12770 C C . ASP C 455 ? 0.9882 0.9211 0.9139 0.0354 -0.0642 0.0081 473 ASP C C +12771 O O . ASP C 455 ? 1.1271 1.0592 1.0508 0.0338 -0.0643 0.0086 473 ASP C O +12772 C CB . ASP C 455 ? 0.8463 0.7874 0.7821 0.0295 -0.0601 0.0068 473 ASP C CB +12773 C CG . ASP C 455 ? 0.8820 0.8169 0.8139 0.0282 -0.0574 0.0087 473 ASP C CG +12774 O OD1 . ASP C 455 ? 0.8826 0.8122 0.8101 0.0307 -0.0577 0.0096 473 ASP C OD1 +12775 O OD2 . ASP C 455 ? 0.8903 0.8256 0.8234 0.0247 -0.0550 0.0092 473 ASP C OD2 +12776 O OXT . ASP C 455 ? 0.9836 0.9109 0.9044 0.0381 -0.0647 0.0092 473 ASP C OXT +12777 N N . GLU D 1 ? 2.0236 1.7373 1.8378 -0.1254 0.0639 0.0527 11 GLU D N +12778 C CA . GLU D 1 ? 2.1472 1.8691 1.9710 -0.1288 0.0626 0.0500 11 GLU D CA +12779 C C . GLU D 1 ? 1.9068 1.6261 1.7300 -0.1262 0.0583 0.0487 11 GLU D C +12780 O O . GLU D 1 ? 1.9972 1.7211 1.8221 -0.1212 0.0546 0.0482 11 GLU D O +12781 C CB . GLU D 1 ? 1.8924 1.6296 1.7270 -0.1285 0.0618 0.0486 11 GLU D CB +12782 C CG . GLU D 1 ? 1.9372 1.6791 1.7748 -0.1320 0.0661 0.0492 11 GLU D CG +12783 C CD . GLU D 1 ? 1.9365 1.6937 1.7859 -0.1326 0.0652 0.0472 11 GLU D CD +12784 O OE1 . GLU D 1 ? 1.7272 1.4908 1.5796 -0.1279 0.0618 0.0467 11 GLU D OE1 +12785 O OE2 . GLU D 1 ? 1.7555 1.5182 1.6113 -0.1378 0.0679 0.0461 11 GLU D OE2 +12786 N N . ARG D 2 ? 1.9458 1.6576 1.7663 -0.1298 0.0589 0.0481 12 ARG D N +12787 C CA . ARG D 2 ? 1.5719 1.2807 1.3918 -0.1281 0.0553 0.0466 12 ARG D CA +12788 C C . ARG D 2 ? 1.4970 1.2117 1.3251 -0.1334 0.0552 0.0440 12 ARG D C +12789 O O . ARG D 2 ? 1.3863 1.0933 1.2114 -0.1369 0.0560 0.0435 12 ARG D O +12790 C CB . ARG D 2 ? 1.9204 1.6134 1.7284 -0.1269 0.0558 0.0483 12 ARG D CB +12791 C CG . ARG D 2 ? 2.1906 1.8771 1.9899 -0.1217 0.0558 0.0509 12 ARG D CG +12792 C CD . ARG D 2 ? 1.7488 1.4417 1.5504 -0.1152 0.0516 0.0505 12 ARG D CD +12793 N NE . ARG D 2 ? 1.8336 1.5289 1.6389 -0.1140 0.0479 0.0483 12 ARG D NE +12794 C CZ . ARG D 2 ? 1.8847 1.5704 1.6837 -0.1124 0.0464 0.0483 12 ARG D CZ +12795 N NH1 . ARG D 2 ? 1.9662 1.6386 1.7547 -0.1120 0.0481 0.0503 12 ARG D NH1 +12796 N NH2 . ARG D 2 ? 1.4626 1.1516 1.2655 -0.1111 0.0430 0.0463 12 ARG D NH2 +12797 N N . GLY D 3 ? 1.1291 0.8573 0.9675 -0.1339 0.0541 0.0424 13 GLY D N +12798 C CA . GLY D 3 ? 1.0174 0.7529 0.8645 -0.1384 0.0537 0.0397 13 GLY D CA +12799 C C . GLY D 3 ? 1.0679 0.8048 0.9171 -0.1360 0.0492 0.0378 13 GLY D C +12800 O O . GLY D 3 ? 1.0927 0.8235 0.9358 -0.1313 0.0468 0.0385 13 GLY D O +12801 N N . TRP D 4 ? 0.9484 0.6937 0.8063 -0.1393 0.0482 0.0353 14 TRP D N +12802 C CA . TRP D 4 ? 1.0576 0.8041 0.9175 -0.1377 0.0442 0.0332 14 TRP D CA +12803 C C . TRP D 4 ? 1.1053 0.8579 0.9670 -0.1314 0.0406 0.0332 14 TRP D C +12804 O O . TRP D 4 ? 0.9458 0.6954 0.8052 -0.1282 0.0374 0.0325 14 TRP D O +12805 C CB . TRP D 4 ? 0.9050 0.6594 0.7738 -0.1427 0.0438 0.0305 14 TRP D CB +12806 C CG . TRP D 4 ? 1.1374 0.9058 1.0158 -0.1428 0.0436 0.0296 14 TRP D CG +12807 C CD1 . TRP D 4 ? 1.0437 0.8179 0.9267 -0.1463 0.0469 0.0299 14 TRP D CD1 +12808 C CD2 . TRP D 4 ? 0.9803 0.7588 0.8650 -0.1391 0.0399 0.0282 14 TRP D CD2 +12809 N NE1 . TRP D 4 ? 1.2514 1.0385 1.1430 -0.1449 0.0453 0.0288 14 TRP D NE1 +12810 C CE2 . TRP D 4 ? 1.2016 0.9914 1.0943 -0.1405 0.0411 0.0277 14 TRP D CE2 +12811 C CE3 . TRP D 4 ? 1.1778 0.9566 1.0618 -0.1347 0.0358 0.0273 14 TRP D CE3 +12812 C CZ2 . TRP D 4 ? 1.1663 0.9674 1.0661 -0.1376 0.0383 0.0265 14 TRP D CZ2 +12813 C CZ3 . TRP D 4 ? 1.1259 0.9161 1.0171 -0.1320 0.0332 0.0261 14 TRP D CZ3 +12814 C CH2 . TRP D 4 ? 0.9881 0.7890 0.8869 -0.1335 0.0343 0.0257 14 TRP D CH2 +12815 N N . PHE D 5 ? 0.9858 0.7471 0.8518 -0.1296 0.0410 0.0338 15 PHE D N +12816 C CA . PHE D 5 ? 0.9498 0.7167 0.8172 -0.1237 0.0378 0.0338 15 PHE D CA +12817 C C . PHE D 5 ? 0.9723 0.7294 0.8304 -0.1188 0.0367 0.0356 15 PHE D C +12818 O O . PHE D 5 ? 0.8776 0.6348 0.7350 -0.1146 0.0334 0.0350 15 PHE D O +12819 C CB . PHE D 5 ? 1.0150 0.7916 0.8877 -0.1228 0.0389 0.0344 15 PHE D CB +12820 C CG . PHE D 5 ? 0.9842 0.7665 0.8584 -0.1170 0.0358 0.0345 15 PHE D CG +12821 C CD1 . PHE D 5 ? 1.0077 0.7851 0.8753 -0.1124 0.0356 0.0365 15 PHE D CD1 +12822 C CD2 . PHE D 5 ? 1.0058 0.7982 0.8879 -0.1162 0.0330 0.0324 15 PHE D CD2 +12823 C CE1 . PHE D 5 ? 0.9590 0.7418 0.8283 -0.1073 0.0328 0.0365 15 PHE D CE1 +12824 C CE2 . PHE D 5 ? 0.8522 0.6496 0.7356 -0.1110 0.0303 0.0324 15 PHE D CE2 +12825 C CZ . PHE D 5 ? 0.9224 0.7151 0.7995 -0.1067 0.0302 0.0344 15 PHE D CZ +12826 N N . ASP D 6 ? 0.9660 0.7145 0.8167 -0.1191 0.0396 0.0379 16 ASP D N +12827 C CA . ASP D 6 ? 0.8986 0.6378 0.7401 -0.1142 0.0387 0.0398 16 ASP D CA +12828 C C . ASP D 6 ? 0.9310 0.6604 0.7670 -0.1139 0.0372 0.0393 16 ASP D C +12829 O O . ASP D 6 ? 1.0081 0.7335 0.8395 -0.1088 0.0347 0.0397 16 ASP D O +12830 C CB . ASP D 6 ? 0.8976 0.6301 0.7325 -0.1148 0.0423 0.0423 16 ASP D CB +12831 C CG . ASP D 6 ? 1.1376 0.8794 0.9775 -0.1146 0.0437 0.0429 16 ASP D CG +12832 O OD1 . ASP D 6 ? 1.1037 0.8509 0.9451 -0.1099 0.0414 0.0431 16 ASP D OD1 +12833 O OD2 . ASP D 6 ? 1.1806 0.9247 1.0232 -0.1193 0.0471 0.0430 16 ASP D OD2 +12834 N N . ILE D 7 ? 1.0480 0.7737 0.8843 -0.1191 0.0387 0.0382 17 ILE D N +12835 C CA . ILE D 7 ? 1.1317 0.8485 0.9631 -0.1189 0.0372 0.0375 17 ILE D CA +12836 C C . ILE D 7 ? 0.9301 0.6536 0.7668 -0.1162 0.0331 0.0353 17 ILE D C +12837 O O . ILE D 7 ? 0.9297 0.6475 0.7616 -0.1124 0.0307 0.0352 17 ILE D O +12838 C CB . ILE D 7 ? 1.2317 0.9436 1.0629 -0.1256 0.0398 0.0367 17 ILE D CB +12839 C CG1 . ILE D 7 ? 1.1763 0.8812 1.0020 -0.1283 0.0441 0.0390 17 ILE D CG1 +12840 C CG2 . ILE D 7 ? 0.9979 0.7002 0.8239 -0.1256 0.0382 0.0358 17 ILE D CG2 +12841 C CD1 . ILE D 7 ? 1.2992 0.9921 1.1137 -0.1242 0.0444 0.0414 17 ILE D CD1 +12842 N N . LEU D 8 ? 0.8928 0.6284 0.7391 -0.1178 0.0322 0.0336 18 LEU D N +12843 C CA . LEU D 8 ? 1.0375 0.7799 0.8887 -0.1150 0.0284 0.0316 18 LEU D CA +12844 C C . LEU D 8 ? 0.9537 0.6972 0.8025 -0.1084 0.0262 0.0327 18 LEU D C +12845 O O . LEU D 8 ? 0.8679 0.6093 0.7148 -0.1049 0.0234 0.0320 18 LEU D O +12846 C CB . LEU D 8 ? 0.8600 0.6152 0.7216 -0.1179 0.0280 0.0297 18 LEU D CB +12847 C CG . LEU D 8 ? 0.9451 0.7080 0.8125 -0.1158 0.0243 0.0275 18 LEU D CG +12848 C CD1 . LEU D 8 ? 0.9027 0.6582 0.7662 -0.1157 0.0224 0.0263 18 LEU D CD1 +12849 C CD2 . LEU D 8 ? 0.8977 0.6720 0.7749 -0.1196 0.0243 0.0256 18 LEU D CD2 +12850 N N . ASP D 9 ? 0.8499 0.5963 0.6986 -0.1067 0.0275 0.0344 19 ASP D N +12851 C CA . ASP D 9 ? 0.8609 0.6082 0.7071 -0.1006 0.0256 0.0355 19 ASP D CA +12852 C C . ASP D 9 ? 1.0882 0.8240 0.9254 -0.0972 0.0246 0.0365 19 ASP D C +12853 O O . ASP D 9 ? 0.9005 0.6371 0.7370 -0.0926 0.0217 0.0361 19 ASP D O +12854 C CB . ASP D 9 ? 0.8517 0.6019 0.6978 -0.1000 0.0277 0.0373 19 ASP D CB +12855 C CG . ASP D 9 ? 1.0934 0.8470 0.9389 -0.0941 0.0255 0.0381 19 ASP D CG +12856 O OD1 . ASP D 9 ? 0.9232 0.6871 0.7756 -0.0928 0.0238 0.0370 19 ASP D OD1 +12857 O OD2 . ASP D 9 ? 0.9580 0.7037 0.7959 -0.0907 0.0254 0.0398 19 ASP D OD2 +12858 N N . ASP D 10 ? 0.9144 0.6395 0.7446 -0.0996 0.0270 0.0377 20 ASP D N +12859 C CA . ASP D 10 ? 0.8991 0.6123 0.7202 -0.0968 0.0263 0.0386 20 ASP D CA +12860 C C . ASP D 10 ? 0.9994 0.7118 0.8214 -0.0955 0.0234 0.0366 20 ASP D C +12861 O O . ASP D 10 ? 0.9285 0.6372 0.7464 -0.0906 0.0212 0.0368 20 ASP D O +12862 C CB . ASP D 10 ? 1.1017 0.8037 0.9160 -0.1008 0.0296 0.0398 20 ASP D CB +12863 C CG . ASP D 10 ? 1.0290 0.7268 0.8380 -0.1001 0.0322 0.0424 20 ASP D CG +12864 O OD1 . ASP D 10 ? 1.0696 0.7722 0.8793 -0.0962 0.0313 0.0433 20 ASP D OD1 +12865 O OD2 . ASP D 10 ? 1.3625 1.0516 1.1661 -0.1037 0.0352 0.0435 20 ASP D OD2 +12866 N N . TRP D 11 ? 0.8266 0.5419 0.6535 -0.1001 0.0236 0.0346 21 TRP D N +12867 C CA . TRP D 11 ? 0.8540 0.5674 0.6809 -0.0993 0.0211 0.0328 21 TRP D CA +12868 C C . TRP D 11 ? 0.9817 0.7044 0.8139 -0.0949 0.0178 0.0316 21 TRP D C +12869 O O . TRP D 11 ? 0.9246 0.6440 0.7540 -0.0912 0.0155 0.0310 21 TRP D O +12870 C CB . TRP D 11 ? 0.8565 0.5708 0.6873 -0.1054 0.0220 0.0309 21 TRP D CB +12871 C CG . TRP D 11 ? 0.9774 0.6878 0.8068 -0.1048 0.0197 0.0290 21 TRP D CG +12872 C CD1 . TRP D 11 ? 1.0076 0.7059 0.8293 -0.1050 0.0200 0.0292 21 TRP D CD1 +12873 C CD2 . TRP D 11 ? 1.0953 0.8136 0.9308 -0.1035 0.0167 0.0268 21 TRP D CD2 +12874 N NE1 . TRP D 11 ? 1.0627 0.7610 0.8855 -0.1041 0.0174 0.0271 21 TRP D NE1 +12875 C CE2 . TRP D 11 ? 0.9862 0.6967 0.8173 -0.1032 0.0154 0.0256 21 TRP D CE2 +12876 C CE3 . TRP D 11 ? 1.0094 0.7403 0.8533 -0.1027 0.0151 0.0256 21 TRP D CE3 +12877 C CZ2 . TRP D 11 ? 1.1348 0.8497 0.9695 -0.1019 0.0126 0.0234 21 TRP D CZ2 +12878 C CZ3 . TRP D 11 ? 1.0149 0.7501 0.8623 -0.1015 0.0122 0.0234 21 TRP D CZ3 +12879 C CH2 . TRP D 11 ? 0.8618 0.5890 0.7046 -0.1012 0.0110 0.0223 21 TRP D CH2 +12880 N N . LEU D 12 ? 0.8738 0.6079 0.7136 -0.0953 0.0176 0.0312 22 LEU D N +12881 C CA . LEU D 12 ? 0.9748 0.7178 0.8198 -0.0916 0.0147 0.0301 22 LEU D CA +12882 C C . LEU D 12 ? 0.9464 0.6867 0.7868 -0.0855 0.0132 0.0314 22 LEU D C +12883 O O . LEU D 12 ? 0.8461 0.5895 0.6880 -0.0819 0.0106 0.0304 22 LEU D O +12884 C CB . LEU D 12 ? 0.8137 0.5687 0.6670 -0.0932 0.0150 0.0297 22 LEU D CB +12885 C CG . LEU D 12 ? 0.9187 0.6784 0.7781 -0.0988 0.0159 0.0279 22 LEU D CG +12886 C CD1 . LEU D 12 ? 0.8458 0.6153 0.7119 -0.1008 0.0172 0.0281 22 LEU D CD1 +12887 C CD2 . LEU D 12 ? 0.7285 0.4919 0.5916 -0.0986 0.0130 0.0254 22 LEU D CD2 +12888 N N . LYS D 13 ? 0.8933 0.6273 0.7276 -0.0842 0.0149 0.0336 23 LYS D N +12889 C CA . LYS D 13 ? 1.0509 0.7833 0.8813 -0.0785 0.0135 0.0349 23 LYS D CA +12890 C C . LYS D 13 ? 1.0426 0.7629 0.8640 -0.0758 0.0132 0.0358 23 LYS D C +12891 O O . LYS D 13 ? 0.9461 0.6635 0.7631 -0.0714 0.0125 0.0372 23 LYS D O +12892 C CB . LYS D 13 ? 1.0350 0.7700 0.8653 -0.0781 0.0152 0.0368 23 LYS D CB +12893 C CG . LYS D 13 ? 0.9101 0.6579 0.7492 -0.0788 0.0148 0.0359 23 LYS D CG +12894 C CD . LYS D 13 ? 0.9417 0.6918 0.7809 -0.0794 0.0169 0.0376 23 LYS D CD +12895 C CE . LYS D 13 ? 0.9096 0.6720 0.7576 -0.0805 0.0166 0.0366 23 LYS D CE +12896 N NZ . LYS D 13 ? 0.9271 0.6919 0.7754 -0.0815 0.0190 0.0381 23 LYS D NZ +12897 N N . ARG D 14 ? 0.8226 0.5361 0.6413 -0.0782 0.0134 0.0348 24 ARG D N +12898 C CA . ARG D 14 ? 1.0319 0.7339 0.8421 -0.0754 0.0129 0.0354 24 ARG D CA +12899 C C . ARG D 14 ? 1.1118 0.8161 0.9223 -0.0696 0.0097 0.0347 24 ARG D C +12900 O O . ARG D 14 ? 1.0610 0.7736 0.8778 -0.0690 0.0079 0.0329 24 ARG D O +12901 C CB . ARG D 14 ? 1.0133 0.7085 0.8215 -0.0794 0.0135 0.0342 24 ARG D CB +12902 C CG . ARG D 14 ? 1.2824 0.9727 1.0887 -0.0851 0.0168 0.0350 24 ARG D CG +12903 C CD . ARG D 14 ? 1.5039 1.1803 1.2997 -0.0843 0.0183 0.0368 24 ARG D CD +12904 N NE . ARG D 14 ? 1.5038 1.1716 1.2951 -0.0842 0.0174 0.0357 24 ARG D NE +12905 C CZ . ARG D 14 ? 1.4192 1.0825 1.2100 -0.0893 0.0187 0.0347 24 ARG D CZ +12906 N NH1 . ARG D 14 ? 1.4612 1.1277 1.2559 -0.0950 0.0211 0.0346 24 ARG D NH1 +12907 N NH2 . ARG D 14 ? 1.6136 1.2692 1.4002 -0.0886 0.0176 0.0336 24 ARG D NH2 +12908 N N . ASP D 15 ? 0.9080 0.6046 0.7112 -0.0652 0.0092 0.0361 25 ASP D N +12909 C CA . ASP D 15 ? 0.9235 0.6213 0.7263 -0.0596 0.0063 0.0354 25 ASP D CA +12910 C C . ASP D 15 ? 0.9495 0.6431 0.7512 -0.0598 0.0052 0.0336 25 ASP D C +12911 O O . ASP D 15 ? 1.2082 0.8910 1.0025 -0.0586 0.0053 0.0340 25 ASP D O +12912 C CB . ASP D 15 ? 0.9828 0.6735 0.7782 -0.0548 0.0060 0.0373 25 ASP D CB +12913 C CG . ASP D 15 ? 1.1716 0.8685 0.9694 -0.0491 0.0033 0.0369 25 ASP D CG +12914 O OD1 . ASP D 15 ? 1.0883 0.7956 0.8938 -0.0492 0.0021 0.0355 25 ASP D OD1 +12915 O OD2 . ASP D 15 ? 1.1461 0.8377 0.9382 -0.0446 0.0024 0.0381 25 ASP D OD2 +12916 N N . ARG D 16 ? 1.0207 0.7222 0.8293 -0.0612 0.0040 0.0315 26 ARG D N +12917 C CA . ARG D 16 ? 0.9159 0.6140 0.7237 -0.0615 0.0028 0.0296 26 ARG D CA +12918 C C . ARG D 16 ? 1.0019 0.7068 0.8135 -0.0570 0.0001 0.0283 26 ARG D C +12919 O O . ARG D 16 ? 0.9866 0.6986 0.8014 -0.0540 -0.0008 0.0288 26 ARG D O +12920 C CB . ARG D 16 ? 0.8615 0.5618 0.6734 -0.0676 0.0038 0.0282 26 ARG D CB +12921 C CG . ARG D 16 ? 0.9126 0.6240 0.7325 -0.0706 0.0045 0.0280 26 ARG D CG +12922 C CD . ARG D 16 ? 1.0907 0.8049 0.9151 -0.0762 0.0050 0.0262 26 ARG D CD +12923 N NE . ARG D 16 ? 0.8886 0.5953 0.7095 -0.0811 0.0075 0.0268 26 ARG D NE +12924 C CZ . ARG D 16 ? 1.1105 0.8204 0.9342 -0.0851 0.0097 0.0276 26 ARG D CZ +12925 N NH1 . ARG D 16 ? 0.9072 0.6271 0.7368 -0.0846 0.0097 0.0280 26 ARG D NH1 +12926 N NH2 . ARG D 16 ? 1.0753 0.7780 0.8957 -0.0896 0.0120 0.0279 26 ARG D NH2 +12927 N N . PHE D 17 ? 0.9648 0.6672 0.7758 -0.0567 -0.0011 0.0265 27 PHE D N +12928 C CA . PHE D 17 ? 0.9621 0.6697 0.7759 -0.0524 -0.0034 0.0252 27 PHE D CA +12929 C C . PHE D 17 ? 0.9825 0.7030 0.8050 -0.0532 -0.0042 0.0243 27 PHE D C +12930 O O . PHE D 17 ? 0.8607 0.5873 0.6859 -0.0492 -0.0056 0.0243 27 PHE D O +12931 C CB . PHE D 17 ? 0.9426 0.6452 0.7542 -0.0525 -0.0043 0.0233 27 PHE D CB +12932 C CG . PHE D 17 ? 0.9893 0.6958 0.8026 -0.0478 -0.0065 0.0220 27 PHE D CG +12933 C CD1 . PHE D 17 ? 1.0084 0.7246 0.8287 -0.0485 -0.0076 0.0204 27 PHE D CD1 +12934 C CD2 . PHE D 17 ? 1.0649 0.7654 0.8728 -0.0427 -0.0073 0.0225 27 PHE D CD2 +12935 C CE1 . PHE D 17 ? 0.9123 0.6321 0.7341 -0.0442 -0.0094 0.0192 27 PHE D CE1 +12936 C CE2 . PHE D 17 ? 1.2595 0.9639 1.0693 -0.0384 -0.0092 0.0212 27 PHE D CE2 +12937 C CZ . PHE D 17 ? 1.0839 0.7980 0.9007 -0.0393 -0.0101 0.0196 27 PHE D CZ +12938 N N . VAL D 18 ? 0.8678 0.5926 0.6948 -0.0582 -0.0033 0.0237 28 VAL D N +12939 C CA . VAL D 18 ? 0.8156 0.5521 0.6506 -0.0594 -0.0037 0.0230 28 VAL D CA +12940 C C . VAL D 18 ? 0.9664 0.7047 0.8028 -0.0628 -0.0017 0.0245 28 VAL D C +12941 O O . VAL D 18 ? 0.8734 0.6091 0.7098 -0.0676 -0.0002 0.0242 28 VAL D O +12942 C CB . VAL D 18 ? 1.0852 0.8258 0.9247 -0.0622 -0.0046 0.0208 28 VAL D CB +12943 C CG1 . VAL D 18 ? 0.9529 0.7057 0.8004 -0.0628 -0.0053 0.0202 28 VAL D CG1 +12944 C CG2 . VAL D 18 ? 1.0019 0.7394 0.8391 -0.0590 -0.0064 0.0193 28 VAL D CG2 +12945 N N . PHE D 19 ? 0.8410 0.5838 0.6788 -0.0605 -0.0016 0.0259 29 PHE D N +12946 C CA . PHE D 19 ? 0.8082 0.5537 0.6477 -0.0634 0.0003 0.0272 29 PHE D CA +12947 C C . PHE D 19 ? 0.9487 0.7025 0.7955 -0.0676 0.0006 0.0259 29 PHE D C +12948 O O . PHE D 19 ? 0.8849 0.6454 0.7366 -0.0670 -0.0011 0.0243 29 PHE D O +12949 C CB . PHE D 19 ? 0.8376 0.5874 0.6778 -0.0597 0.0000 0.0286 29 PHE D CB +12950 C CG . PHE D 19 ? 0.8560 0.6092 0.6982 -0.0623 0.0019 0.0299 29 PHE D CG +12951 C CD1 . PHE D 19 ? 0.8150 0.5785 0.6646 -0.0641 0.0019 0.0293 29 PHE D CD1 +12952 C CD2 . PHE D 19 ? 0.9444 0.6902 0.7808 -0.0630 0.0039 0.0319 29 PHE D CD2 +12953 C CE1 . PHE D 19 ? 0.8911 0.6579 0.7426 -0.0664 0.0037 0.0304 29 PHE D CE1 +12954 C CE2 . PHE D 19 ? 0.8770 0.6258 0.7150 -0.0654 0.0059 0.0330 29 PHE D CE2 +12955 C CZ . PHE D 19 ? 0.8945 0.6540 0.7403 -0.0671 0.0058 0.0323 29 PHE D CZ +12956 N N . VAL D 20 ? 0.9046 0.6577 0.7520 -0.0721 0.0028 0.0265 30 VAL D N +12957 C CA . VAL D 20 ? 0.8411 0.6019 0.6955 -0.0763 0.0030 0.0251 30 VAL D CA +12958 C C . VAL D 20 ? 0.9187 0.6874 0.7776 -0.0768 0.0041 0.0261 30 VAL D C +12959 O O . VAL D 20 ? 0.9363 0.7142 0.8009 -0.0756 0.0027 0.0254 30 VAL D O +12960 C CB . VAL D 20 ? 0.8675 0.6227 0.7204 -0.0815 0.0046 0.0245 30 VAL D CB +12961 C CG1 . VAL D 20 ? 0.7734 0.5372 0.6339 -0.0856 0.0046 0.0228 30 VAL D CG1 +12962 C CG2 . VAL D 20 ? 0.7962 0.5429 0.6440 -0.0807 0.0036 0.0235 30 VAL D CG2 +12963 N N . GLY D 21 ? 0.8663 0.6312 0.7224 -0.0787 0.0065 0.0278 31 GLY D N +12964 C CA . GLY D 21 ? 0.7928 0.5644 0.6526 -0.0794 0.0078 0.0288 31 GLY D CA +12965 C C . GLY D 21 ? 0.7410 0.5206 0.6081 -0.0838 0.0084 0.0275 31 GLY D C +12966 O O . GLY D 21 ? 0.8415 0.6223 0.7113 -0.0862 0.0076 0.0257 31 GLY D O +12967 N N . TRP D 22 ? 0.7672 0.5522 0.6374 -0.0850 0.0100 0.0284 32 TRP D N +12968 C CA . TRP D 22 ? 0.8562 0.6503 0.7341 -0.0884 0.0104 0.0272 32 TRP D CA +12969 C C . TRP D 22 ? 0.8435 0.6461 0.7270 -0.0863 0.0076 0.0255 32 TRP D C +12970 O O . TRP D 22 ? 0.7719 0.5800 0.6609 -0.0890 0.0070 0.0238 32 TRP D O +12971 C CB . TRP D 22 ? 0.7321 0.5304 0.6118 -0.0892 0.0125 0.0285 32 TRP D CB +12972 C CG . TRP D 22 ? 0.9483 0.7400 0.8240 -0.0926 0.0158 0.0299 32 TRP D CG +12973 C CD1 . TRP D 22 ? 0.8526 0.6365 0.7213 -0.0910 0.0173 0.0320 32 TRP D CD1 +12974 C CD2 . TRP D 22 ? 0.8541 0.6465 0.7327 -0.0981 0.0179 0.0292 32 TRP D CD2 +12975 N NE1 . TRP D 22 ? 0.8489 0.6285 0.7157 -0.0953 0.0204 0.0328 32 TRP D NE1 +12976 C CE2 . TRP D 22 ? 0.9830 0.7678 0.8560 -0.0998 0.0209 0.0310 32 TRP D CE2 +12977 C CE3 . TRP D 22 ? 0.7871 0.5860 0.6726 -0.1018 0.0175 0.0271 32 TRP D CE3 +12978 C CZ2 . TRP D 22 ? 0.9189 0.7023 0.7930 -0.1052 0.0237 0.0309 32 TRP D CZ2 +12979 C CZ3 . TRP D 22 ? 0.9217 0.7197 0.8086 -0.1071 0.0201 0.0269 32 TRP D CZ3 +12980 C CH2 . TRP D 22 ? 0.9147 0.7049 0.7959 -0.1089 0.0233 0.0288 32 TRP D CH2 +12981 N N . SER D 23 ? 0.7929 0.5966 0.6751 -0.0815 0.0059 0.0260 33 SER D N +12982 C CA . SER D 23 ? 0.7959 0.6073 0.6831 -0.0794 0.0034 0.0246 33 SER D CA +12983 C C . SER D 23 ? 0.7773 0.5867 0.6646 -0.0801 0.0017 0.0227 33 SER D C +12984 O O . SER D 23 ? 0.7825 0.5986 0.6749 -0.0803 0.0001 0.0211 33 SER D O +12985 C CB . SER D 23 ? 0.6736 0.4858 0.5590 -0.0742 0.0021 0.0255 33 SER D CB +12986 O OG . SER D 23 ? 0.8153 0.6191 0.6944 -0.0717 0.0015 0.0260 33 SER D OG +12987 N N . GLY D 24 ? 0.7470 0.5470 0.6285 -0.0806 0.0022 0.0229 34 GLY D N +12988 C CA . GLY D 24 ? 0.7029 0.5001 0.5837 -0.0813 0.0006 0.0211 34 GLY D CA +12989 C C . GLY D 24 ? 0.7598 0.5610 0.6456 -0.0859 0.0007 0.0193 34 GLY D C +12990 O O . GLY D 24 ? 0.7982 0.6005 0.6855 -0.0861 -0.0011 0.0175 34 GLY D O +12991 N N . ILE D 25 ? 0.8024 0.6060 0.6909 -0.0897 0.0027 0.0197 35 ILE D N +12992 C CA . ILE D 25 ? 0.8355 0.6441 0.7295 -0.0941 0.0027 0.0180 35 ILE D CA +12993 C C . ILE D 25 ? 0.8357 0.6543 0.7360 -0.0927 0.0005 0.0165 35 ILE D C +12994 O O . ILE D 25 ? 0.8037 0.6249 0.7070 -0.0946 -0.0010 0.0145 35 ILE D O +12995 C CB . ILE D 25 ? 0.9321 0.7421 0.8281 -0.0981 0.0056 0.0188 35 ILE D CB +12996 C CG1 . ILE D 25 ? 1.0832 0.8824 0.9724 -0.1001 0.0079 0.0201 35 ILE D CG1 +12997 C CG2 . ILE D 25 ? 0.9244 0.7418 0.8275 -0.1023 0.0054 0.0169 35 ILE D CG2 +12998 C CD1 . ILE D 25 ? 0.9148 0.7144 0.8047 -0.1030 0.0110 0.0215 35 ILE D CD1 +12999 N N . LEU D 26 ? 0.8463 0.6702 0.7484 -0.0894 0.0001 0.0175 36 LEU D N +13000 C CA . LEU D 26 ? 0.7646 0.5970 0.6717 -0.0874 -0.0021 0.0163 36 LEU D CA +13001 C C . LEU D 26 ? 0.6677 0.4975 0.5720 -0.0838 -0.0044 0.0156 36 LEU D C +13002 O O . LEU D 26 ? 0.6751 0.5078 0.5818 -0.0840 -0.0062 0.0138 36 LEU D O +13003 C CB . LEU D 26 ? 0.8499 0.6888 0.7599 -0.0854 -0.0016 0.0175 36 LEU D CB +13004 C CG . LEU D 26 ? 0.8887 0.7369 0.8042 -0.0836 -0.0035 0.0166 36 LEU D CG +13005 C CD1 . LEU D 26 ? 0.7563 0.6105 0.6776 -0.0871 -0.0040 0.0147 36 LEU D CD1 +13006 C CD2 . LEU D 26 ? 0.8062 0.6590 0.7233 -0.0816 -0.0026 0.0181 36 LEU D CD2 +13007 N N . LEU D 27 ? 0.7158 0.5398 0.6148 -0.0805 -0.0042 0.0170 37 LEU D N +13008 C CA . LEU D 27 ? 0.7192 0.5421 0.6162 -0.0765 -0.0061 0.0165 37 LEU D CA +13009 C C . LEU D 27 ? 0.8254 0.6440 0.7205 -0.0774 -0.0074 0.0148 37 LEU D C +13010 O O . LEU D 27 ? 0.7968 0.6189 0.6938 -0.0759 -0.0093 0.0134 37 LEU D O +13011 C CB . LEU D 27 ? 0.6851 0.5024 0.5767 -0.0729 -0.0056 0.0183 37 LEU D CB +13012 C CG . LEU D 27 ? 0.7075 0.5217 0.5961 -0.0691 -0.0073 0.0178 37 LEU D CG +13013 C CD1 . LEU D 27 ? 0.7361 0.5584 0.6291 -0.0667 -0.0092 0.0168 37 LEU D CD1 +13014 C CD2 . LEU D 27 ? 0.8031 0.6110 0.6861 -0.0659 -0.0068 0.0194 37 LEU D CD2 +13015 N N . PHE D 28 ? 0.8490 0.6597 0.7401 -0.0799 -0.0063 0.0148 38 PHE D N +13016 C CA . PHE D 28 ? 0.7511 0.5562 0.6391 -0.0801 -0.0075 0.0133 38 PHE D CA +13017 C C . PHE D 28 ? 0.7582 0.5680 0.6506 -0.0828 -0.0089 0.0111 38 PHE D C +13018 O O . PHE D 28 ? 0.8023 0.6120 0.6941 -0.0810 -0.0107 0.0097 38 PHE D O +13019 C CB . PHE D 28 ? 0.8539 0.6486 0.7358 -0.0817 -0.0059 0.0140 38 PHE D CB +13020 C CG . PHE D 28 ? 0.8625 0.6513 0.7389 -0.0779 -0.0053 0.0159 38 PHE D CG +13021 C CD1 . PHE D 28 ? 0.8632 0.6496 0.7366 -0.0736 -0.0068 0.0156 38 PHE D CD1 +13022 C CD2 . PHE D 28 ? 0.9064 0.6926 0.7808 -0.0785 -0.0033 0.0179 38 PHE D CD2 +13023 C CE1 . PHE D 28 ? 1.0261 0.8076 0.8948 -0.0699 -0.0065 0.0172 38 PHE D CE1 +13024 C CE2 . PHE D 28 ? 0.9454 0.7262 0.8145 -0.0748 -0.0029 0.0195 38 PHE D CE2 +13025 C CZ . PHE D 28 ? 0.8944 0.6731 0.7609 -0.0705 -0.0046 0.0192 38 PHE D CZ +13026 N N . PRO D 29 ? 0.7722 0.5860 0.6689 -0.0870 -0.0081 0.0105 39 PRO D N +13027 C CA . PRO D 29 ? 0.7833 0.6022 0.6843 -0.0891 -0.0099 0.0082 39 PRO D CA +13028 C C . PRO D 29 ? 0.8118 0.6388 0.7167 -0.0861 -0.0118 0.0076 39 PRO D C +13029 O O . PRO D 29 ? 0.8117 0.6393 0.7167 -0.0854 -0.0137 0.0059 39 PRO D O +13030 C CB . PRO D 29 ? 0.8138 0.6365 0.7193 -0.0939 -0.0085 0.0080 39 PRO D CB +13031 C CG . PRO D 29 ? 0.8162 0.6373 0.7203 -0.0940 -0.0061 0.0102 39 PRO D CG +13032 C CD . PRO D 29 ? 0.8208 0.6339 0.7181 -0.0903 -0.0057 0.0117 39 PRO D CD +13033 N N . CYS D 30 ? 0.7869 0.6195 0.6944 -0.0842 -0.0113 0.0090 40 CYS D N +13034 C CA . CYS D 30 ? 0.7207 0.5612 0.6321 -0.0817 -0.0130 0.0084 40 CYS D CA +13035 C C . CYS D 30 ? 0.6808 0.5187 0.5887 -0.0774 -0.0143 0.0083 40 CYS D C +13036 O O . CYS D 30 ? 0.7341 0.5752 0.6436 -0.0763 -0.0161 0.0069 40 CYS D O +13037 C CB . CYS D 30 ? 0.6712 0.5178 0.5859 -0.0808 -0.0119 0.0099 40 CYS D CB +13038 S SG . CYS D 30 ? 0.8185 0.6710 0.7391 -0.0856 -0.0107 0.0095 40 CYS D SG +13039 N N . ALA D 31 ? 0.7156 0.5475 0.6188 -0.0750 -0.0134 0.0097 41 ALA D N +13040 C CA . ALA D 31 ? 0.6964 0.5255 0.5963 -0.0710 -0.0146 0.0095 41 ALA D CA +13041 C C . ALA D 31 ? 0.8523 0.6770 0.7498 -0.0719 -0.0158 0.0077 41 ALA D C +13042 O O . ALA D 31 ? 0.8233 0.6497 0.7209 -0.0697 -0.0173 0.0066 41 ALA D O +13043 C CB . ALA D 31 ? 0.7108 0.5339 0.6059 -0.0685 -0.0134 0.0113 41 ALA D CB +13044 N N . TYR D 32 ? 0.7815 0.6002 0.6766 -0.0751 -0.0150 0.0073 42 TYR D N +13045 C CA . TYR D 32 ? 0.7901 0.6038 0.6824 -0.0761 -0.0161 0.0055 42 TYR D CA +13046 C C . TYR D 32 ? 0.7115 0.5314 0.6082 -0.0776 -0.0178 0.0035 42 TYR D C +13047 O O . TYR D 32 ? 0.7187 0.5372 0.6137 -0.0762 -0.0194 0.0021 42 TYR D O +13048 C CB . TYR D 32 ? 0.8514 0.6576 0.7407 -0.0797 -0.0147 0.0055 42 TYR D CB +13049 C CG . TYR D 32 ? 0.7835 0.5835 0.6693 -0.0808 -0.0158 0.0037 42 TYR D CG +13050 C CD1 . TYR D 32 ? 0.8107 0.6045 0.6913 -0.0774 -0.0163 0.0035 42 TYR D CD1 +13051 C CD2 . TYR D 32 ? 0.7861 0.5864 0.6738 -0.0853 -0.0162 0.0020 42 TYR D CD2 +13052 C CE1 . TYR D 32 ? 0.8277 0.6156 0.7048 -0.0783 -0.0172 0.0018 42 TYR D CE1 +13053 C CE2 . TYR D 32 ? 0.8204 0.6147 0.7047 -0.0864 -0.0172 0.0002 42 TYR D CE2 +13054 C CZ . TYR D 32 ? 0.8533 0.6412 0.7321 -0.0828 -0.0177 0.0001 42 TYR D CZ +13055 O OH . TYR D 32 ? 0.9253 0.7070 0.8004 -0.0837 -0.0186 -0.0016 42 TYR D OH +13056 N N . LEU D 33 ? 0.7053 0.5319 0.6073 -0.0803 -0.0177 0.0033 43 LEU D N +13057 C CA . LEU D 33 ? 0.7368 0.5694 0.6429 -0.0817 -0.0195 0.0014 43 LEU D CA +13058 C C . LEU D 33 ? 0.7752 0.6132 0.6827 -0.0779 -0.0210 0.0013 43 LEU D C +13059 O O . LEU D 33 ? 0.7354 0.5750 0.6433 -0.0774 -0.0228 -0.0004 43 LEU D O +13060 C CB . LEU D 33 ? 0.7066 0.5452 0.6182 -0.0854 -0.0190 0.0013 43 LEU D CB +13061 C CG . LEU D 33 ? 0.8648 0.6988 0.7756 -0.0900 -0.0178 0.0008 43 LEU D CG +13062 C CD1 . LEU D 33 ? 0.7595 0.6005 0.6765 -0.0937 -0.0173 0.0005 43 LEU D CD1 +13063 C CD2 . LEU D 33 ? 0.8335 0.6625 0.7415 -0.0913 -0.0193 -0.0013 43 LEU D CD2 +13064 N N . ALA D 34 ? 0.7480 0.5890 0.6564 -0.0751 -0.0201 0.0030 44 ALA D N +13065 C CA . ALA D 34 ? 0.7485 0.5943 0.6582 -0.0716 -0.0213 0.0030 44 ALA D CA +13066 C C . ALA D 34 ? 0.6785 0.5194 0.5837 -0.0688 -0.0222 0.0023 44 ALA D C +13067 O O . ALA D 34 ? 0.7013 0.5450 0.6072 -0.0675 -0.0236 0.0011 44 ALA D O +13068 C CB . ALA D 34 ? 0.7009 0.5499 0.6119 -0.0694 -0.0202 0.0050 44 ALA D CB +13069 N N . LEU D 35 ? 0.7148 0.5483 0.6154 -0.0679 -0.0212 0.0030 45 LEU D N +13070 C CA . LEU D 35 ? 0.7194 0.5478 0.6156 -0.0652 -0.0218 0.0023 45 LEU D CA +13071 C C . LEU D 35 ? 0.7364 0.5621 0.6313 -0.0673 -0.0231 0.0002 45 LEU D C +13072 O O . LEU D 35 ? 0.8418 0.6675 0.7353 -0.0653 -0.0243 -0.0010 45 LEU D O +13073 C CB . LEU D 35 ? 0.7784 0.5994 0.6699 -0.0638 -0.0205 0.0036 45 LEU D CB +13074 C CG . LEU D 35 ? 0.9404 0.7552 0.8269 -0.0610 -0.0209 0.0029 45 LEU D CG +13075 C CD1 . LEU D 35 ? 1.0983 0.9171 0.9856 -0.0568 -0.0215 0.0030 45 LEU D CD1 +13076 C CD2 . LEU D 35 ? 1.0984 0.9049 0.9800 -0.0604 -0.0197 0.0039 45 LEU D CD2 +13077 N N . GLY D 36 ? 0.8345 0.6577 0.7295 -0.0713 -0.0228 -0.0004 46 GLY D N +13078 C CA . GLY D 36 ? 0.7046 0.5251 0.5984 -0.0735 -0.0240 -0.0025 46 GLY D CA +13079 C C . GLY D 36 ? 0.7812 0.6087 0.6789 -0.0740 -0.0259 -0.0040 46 GLY D C +13080 O O . GLY D 36 ? 0.7810 0.6069 0.6768 -0.0735 -0.0274 -0.0057 46 GLY D O +13081 N N . GLY D 37 ? 0.7817 0.6170 0.6847 -0.0747 -0.0259 -0.0034 47 GLY D N +13082 C CA . GLY D 37 ? 0.6927 0.5350 0.5992 -0.0745 -0.0277 -0.0046 47 GLY D CA +13083 C C . GLY D 37 ? 0.7597 0.6028 0.6644 -0.0704 -0.0285 -0.0047 47 GLY D C +13084 O O . GLY D 37 ? 0.7062 0.5511 0.6109 -0.0700 -0.0302 -0.0063 47 GLY D O +13085 N N . TRP D 38 ? 0.7258 0.5677 0.6288 -0.0672 -0.0273 -0.0031 48 TRP D N +13086 C CA . TRP D 38 ? 0.7402 0.5831 0.6418 -0.0634 -0.0278 -0.0032 48 TRP D CA +13087 C C . TRP D 38 ? 0.6726 0.5090 0.5692 -0.0625 -0.0284 -0.0046 48 TRP D C +13088 O O . TRP D 38 ? 0.6992 0.5370 0.5951 -0.0610 -0.0296 -0.0057 48 TRP D O +13089 C CB . TRP D 38 ? 0.6461 0.4895 0.5473 -0.0603 -0.0264 -0.0012 48 TRP D CB +13090 C CG . TRP D 38 ? 0.7010 0.5462 0.6014 -0.0567 -0.0269 -0.0014 48 TRP D CG +13091 C CD1 . TRP D 38 ? 0.5986 0.4501 0.5018 -0.0559 -0.0278 -0.0016 48 TRP D CD1 +13092 C CD2 . TRP D 38 ? 0.6062 0.4469 0.5026 -0.0536 -0.0265 -0.0014 48 TRP D CD2 +13093 N NE1 . TRP D 38 ? 0.6778 0.5290 0.5790 -0.0526 -0.0278 -0.0018 48 TRP D NE1 +13094 C CE2 . TRP D 38 ? 0.7415 0.5864 0.6388 -0.0512 -0.0270 -0.0017 48 TRP D CE2 +13095 C CE3 . TRP D 38 ? 0.7254 0.5590 0.6176 -0.0527 -0.0257 -0.0012 48 TRP D CE3 +13096 C CZ2 . TRP D 38 ? 0.6522 0.4947 0.5466 -0.0479 -0.0267 -0.0018 48 TRP D CZ2 +13097 C CZ3 . TRP D 38 ? 0.6377 0.4691 0.5271 -0.0492 -0.0255 -0.0014 48 TRP D CZ3 +13098 C CH2 . TRP D 38 ? 0.7404 0.5763 0.6310 -0.0469 -0.0259 -0.0017 48 TRP D CH2 +13099 N N . LEU D 39 ? 0.7953 0.6245 0.6884 -0.0634 -0.0276 -0.0045 49 LEU D N +13100 C CA . LEU D 39 ? 0.7522 0.5749 0.6404 -0.0626 -0.0282 -0.0060 49 LEU D CA +13101 C C . LEU D 39 ? 0.7752 0.5982 0.6637 -0.0654 -0.0299 -0.0081 49 LEU D C +13102 O O . LEU D 39 ? 0.7341 0.5556 0.6201 -0.0641 -0.0310 -0.0096 49 LEU D O +13103 C CB . LEU D 39 ? 0.7233 0.5379 0.6074 -0.0629 -0.0269 -0.0054 49 LEU D CB +13104 C CG . LEU D 39 ? 0.8471 0.6606 0.7299 -0.0595 -0.0255 -0.0034 49 LEU D CG +13105 C CD1 . LEU D 39 ? 0.6842 0.4914 0.5644 -0.0605 -0.0241 -0.0023 49 LEU D CD1 +13106 C CD2 . LEU D 39 ? 0.7531 0.5646 0.6328 -0.0555 -0.0258 -0.0039 49 LEU D CD2 +13107 N N . THR D 40 ? 0.6996 0.5247 0.5913 -0.0693 -0.0302 -0.0085 50 THR D N +13108 C CA . THR D 40 ? 0.8083 0.6344 0.7008 -0.0721 -0.0320 -0.0106 50 THR D CA +13109 C C . THR D 40 ? 0.8428 0.6751 0.7373 -0.0703 -0.0336 -0.0114 50 THR D C +13110 O O . THR D 40 ? 0.7615 0.5922 0.6537 -0.0700 -0.0352 -0.0132 50 THR D O +13111 C CB . THR D 40 ? 0.8020 0.6306 0.6985 -0.0765 -0.0319 -0.0108 50 THR D CB +13112 O OG1 . THR D 40 ? 0.7814 0.6036 0.6755 -0.0782 -0.0303 -0.0099 50 THR D OG1 +13113 C CG2 . THR D 40 ? 0.7792 0.6088 0.6767 -0.0794 -0.0340 -0.0132 50 THR D CG2 +13114 N N . GLY D 41 ? 0.8256 0.6648 0.7241 -0.0691 -0.0333 -0.0101 51 GLY D N +13115 C CA . GLY D 41 ? 0.6949 0.5401 0.5955 -0.0676 -0.0348 -0.0108 51 GLY D CA +13116 C C . GLY D 41 ? 0.7468 0.5898 0.6435 -0.0639 -0.0349 -0.0110 51 GLY D C +13117 O O . GLY D 41 ? 0.6902 0.5338 0.5856 -0.0633 -0.0365 -0.0125 51 GLY D O +13118 N N . THR D 42 ? 0.6586 0.4988 0.5532 -0.0613 -0.0332 -0.0095 52 THR D N +13119 C CA . THR D 42 ? 0.6888 0.5272 0.5800 -0.0577 -0.0332 -0.0098 52 THR D CA +13120 C C . THR D 42 ? 0.7009 0.5327 0.5872 -0.0578 -0.0339 -0.0116 52 THR D C +13121 O O . THR D 42 ? 0.7523 0.5831 0.6358 -0.0554 -0.0343 -0.0124 52 THR D O +13122 C CB . THR D 42 ? 0.6776 0.5148 0.5680 -0.0548 -0.0313 -0.0080 52 THR D CB +13123 O OG1 . THR D 42 ? 0.7093 0.5410 0.5978 -0.0558 -0.0303 -0.0074 52 THR D OG1 +13124 C CG2 . THR D 42 ? 0.6366 0.4806 0.5314 -0.0541 -0.0307 -0.0064 52 THR D CG2 +13125 N N . THR D 43 ? 0.8173 0.6442 0.7021 -0.0606 -0.0341 -0.0124 53 THR D N +13126 C CA . THR D 43 ? 0.7189 0.5391 0.5989 -0.0608 -0.0348 -0.0142 53 THR D CA +13127 C C . THR D 43 ? 0.7336 0.5555 0.6139 -0.0629 -0.0370 -0.0163 53 THR D C +13128 O O . THR D 43 ? 0.7392 0.5583 0.6158 -0.0616 -0.0379 -0.0178 53 THR D O +13129 C CB . THR D 43 ? 0.8025 0.6157 0.6800 -0.0626 -0.0338 -0.0140 53 THR D CB +13130 O OG1 . THR D 43 ? 0.7481 0.5590 0.6243 -0.0600 -0.0320 -0.0122 53 THR D OG1 +13131 C CG2 . THR D 43 ? 0.6589 0.4648 0.5312 -0.0631 -0.0347 -0.0160 53 THR D CG2 +13132 N N . PHE D 44 ? 0.7521 0.5790 0.6369 -0.0660 -0.0379 -0.0165 54 PHE D N +13133 C CA . PHE D 44 ? 0.7316 0.5596 0.6171 -0.0686 -0.0401 -0.0186 54 PHE D CA +13134 C C . PHE D 44 ? 0.8139 0.6503 0.7039 -0.0689 -0.0417 -0.0189 54 PHE D C +13135 O O . PHE D 44 ? 0.7988 0.6361 0.6885 -0.0702 -0.0438 -0.0208 54 PHE D O +13136 C CB . PHE D 44 ? 0.7468 0.5722 0.6333 -0.0729 -0.0402 -0.0192 54 PHE D CB +13137 C CG . PHE D 44 ? 0.8897 0.7059 0.7711 -0.0731 -0.0391 -0.0194 54 PHE D CG +13138 C CD1 . PHE D 44 ? 0.8032 0.6136 0.6794 -0.0723 -0.0400 -0.0212 54 PHE D CD1 +13139 C CD2 . PHE D 44 ? 0.8156 0.6290 0.6973 -0.0741 -0.0371 -0.0178 54 PHE D CD2 +13140 C CE1 . PHE D 44 ? 0.8101 0.6117 0.6813 -0.0723 -0.0390 -0.0214 54 PHE D CE1 +13141 C CE2 . PHE D 44 ? 0.8988 0.7033 0.7755 -0.0742 -0.0362 -0.0180 54 PHE D CE2 +13142 C CZ . PHE D 44 ? 0.7950 0.5936 0.6665 -0.0733 -0.0371 -0.0198 54 PHE D CZ +13143 N N . VAL D 45 ? 0.7063 0.5485 0.6002 -0.0678 -0.0408 -0.0171 55 VAL D N +13144 C CA . VAL D 45 ? 0.7689 0.6190 0.6677 -0.0687 -0.0421 -0.0172 55 VAL D CA +13145 C C . VAL D 45 ? 0.7407 0.5943 0.6389 -0.0653 -0.0426 -0.0169 55 VAL D C +13146 O O . VAL D 45 ? 0.7343 0.5871 0.6310 -0.0623 -0.0411 -0.0155 55 VAL D O +13147 C CB . VAL D 45 ? 0.7067 0.5610 0.6106 -0.0704 -0.0409 -0.0156 55 VAL D CB +13148 C CG1 . VAL D 45 ? 0.6565 0.5191 0.5655 -0.0709 -0.0421 -0.0157 55 VAL D CG1 +13149 C CG2 . VAL D 45 ? 0.7579 0.6086 0.6621 -0.0742 -0.0405 -0.0162 55 VAL D CG2 +13150 N N . THR D 46 ? 0.7308 0.5885 0.6303 -0.0656 -0.0448 -0.0182 56 THR D N +13151 C CA . THR D 46 ? 0.6921 0.5529 0.5908 -0.0627 -0.0455 -0.0181 56 THR D CA +13152 C C . THR D 46 ? 0.7791 0.6470 0.6826 -0.0620 -0.0450 -0.0164 56 THR D C +13153 O O . THR D 46 ? 0.7695 0.6404 0.6773 -0.0639 -0.0443 -0.0156 56 THR D O +13154 C CB . THR D 46 ? 0.7635 0.6248 0.6606 -0.0632 -0.0482 -0.0203 56 THR D CB +13155 O OG1 . THR D 46 ? 0.7192 0.5817 0.6139 -0.0600 -0.0486 -0.0201 56 THR D OG1 +13156 C CG2 . THR D 46 ? 0.6326 0.5001 0.5349 -0.0658 -0.0501 -0.0210 56 THR D CG2 +13157 N N . SER D 47 ? 0.7074 0.5778 0.6100 -0.0591 -0.0452 -0.0160 57 SER D N +13158 C CA . SER D 47 ? 0.7299 0.6070 0.6366 -0.0583 -0.0453 -0.0148 57 SER D CA +13159 C C . SER D 47 ? 0.6696 0.5492 0.5753 -0.0573 -0.0475 -0.0160 57 SER D C +13160 O O . SER D 47 ? 0.8042 0.6879 0.7111 -0.0554 -0.0476 -0.0151 57 SER D O +13161 C CB . SER D 47 ? 0.6185 0.4961 0.5251 -0.0557 -0.0430 -0.0127 57 SER D CB +13162 O OG . SER D 47 ? 0.6972 0.5716 0.6039 -0.0564 -0.0411 -0.0117 57 SER D OG +13163 N N . TRP D 48 ? 0.6816 0.5586 0.5847 -0.0584 -0.0495 -0.0181 58 TRP D N +13164 C CA . TRP D 48 ? 0.6326 0.5110 0.5338 -0.0572 -0.0517 -0.0194 58 TRP D CA +13165 C C . TRP D 48 ? 0.7178 0.6033 0.6238 -0.0579 -0.0534 -0.0194 58 TRP D C +13166 O O . TRP D 48 ? 0.6718 0.5601 0.5773 -0.0557 -0.0541 -0.0190 58 TRP D O +13167 C CB . TRP D 48 ? 0.7103 0.5840 0.6076 -0.0585 -0.0535 -0.0217 58 TRP D CB +13168 C CG . TRP D 48 ? 0.8504 0.7241 0.7442 -0.0569 -0.0557 -0.0230 58 TRP D CG +13169 C CD1 . TRP D 48 ? 0.7114 0.5864 0.6052 -0.0583 -0.0587 -0.0251 58 TRP D CD1 +13170 C CD2 . TRP D 48 ? 0.7813 0.6535 0.6708 -0.0535 -0.0550 -0.0224 58 TRP D CD2 +13171 N NE1 . TRP D 48 ? 0.7179 0.5920 0.6073 -0.0559 -0.0600 -0.0257 58 TRP D NE1 +13172 C CE2 . TRP D 48 ? 0.8148 0.6870 0.7015 -0.0530 -0.0577 -0.0241 58 TRP D CE2 +13173 C CE3 . TRP D 48 ? 0.6336 0.5044 0.5214 -0.0510 -0.0524 -0.0207 58 TRP D CE3 +13174 C CZ2 . TRP D 48 ? 0.7873 0.6579 0.6692 -0.0500 -0.0577 -0.0240 58 TRP D CZ2 +13175 C CZ3 . TRP D 48 ? 0.6890 0.5584 0.5725 -0.0482 -0.0524 -0.0206 58 TRP D CZ3 +13176 C CH2 . TRP D 48 ? 0.8080 0.6772 0.6884 -0.0478 -0.0549 -0.0222 58 TRP D CH2 +13177 N N . TYR D 49 ? 0.6423 0.5306 0.5530 -0.0609 -0.0538 -0.0198 59 TYR D N +13178 C CA . TYR D 49 ? 0.6869 0.5822 0.6025 -0.0617 -0.0556 -0.0202 59 TYR D CA +13179 C C . TYR D 49 ? 0.7480 0.6482 0.6674 -0.0605 -0.0540 -0.0181 59 TYR D C +13180 O O . TYR D 49 ? 0.7247 0.6305 0.6474 -0.0602 -0.0554 -0.0182 59 TYR D O +13181 C CB . TYR D 49 ? 0.7265 0.6234 0.6459 -0.0655 -0.0568 -0.0216 59 TYR D CB +13182 C CG . TYR D 49 ? 0.7541 0.6462 0.6696 -0.0668 -0.0585 -0.0238 59 TYR D CG +13183 C CD1 . TYR D 49 ? 0.7901 0.6830 0.7034 -0.0659 -0.0614 -0.0256 59 TYR D CD1 +13184 C CD2 . TYR D 49 ? 0.7790 0.6653 0.6925 -0.0687 -0.0573 -0.0241 59 TYR D CD2 +13185 C CE1 . TYR D 49 ? 0.7855 0.6736 0.6949 -0.0669 -0.0630 -0.0277 59 TYR D CE1 +13186 C CE2 . TYR D 49 ? 0.7983 0.6797 0.7079 -0.0698 -0.0588 -0.0262 59 TYR D CE2 +13187 C CZ . TYR D 49 ? 0.8527 0.7351 0.7603 -0.0690 -0.0617 -0.0280 59 TYR D CZ +13188 O OH . TYR D 49 ? 0.8891 0.7665 0.7926 -0.0701 -0.0633 -0.0301 59 TYR D OH +13189 N N . THR D 50 ? 0.7087 0.6068 0.6279 -0.0598 -0.0513 -0.0162 60 THR D N +13190 C CA . THR D 50 ? 0.6384 0.5407 0.5609 -0.0586 -0.0497 -0.0142 60 THR D CA +13191 C C . THR D 50 ? 0.6816 0.5828 0.6008 -0.0552 -0.0487 -0.0129 60 THR D C +13192 O O . THR D 50 ? 0.7409 0.6463 0.6622 -0.0538 -0.0485 -0.0119 60 THR D O +13193 C CB . THR D 50 ? 0.7117 0.6129 0.6364 -0.0602 -0.0474 -0.0129 60 THR D CB +13194 O OG1 . THR D 50 ? 0.7893 0.6840 0.7095 -0.0595 -0.0459 -0.0126 60 THR D OG1 +13195 C CG2 . THR D 50 ? 0.6642 0.5669 0.5925 -0.0639 -0.0480 -0.0140 60 THR D CG2 +13196 N N . HIS D 51 ? 0.7386 0.6344 0.6529 -0.0538 -0.0479 -0.0131 61 HIS D N +13197 C CA . HIS D 51 ? 0.6333 0.5280 0.5447 -0.0508 -0.0467 -0.0119 61 HIS D CA +13198 C C . HIS D 51 ? 0.7018 0.5933 0.6081 -0.0491 -0.0478 -0.0130 61 HIS D C +13199 O O . HIS D 51 ? 0.6871 0.5784 0.5911 -0.0467 -0.0469 -0.0122 61 HIS D O +13200 C CB . HIS D 51 ? 0.5856 0.4770 0.4961 -0.0502 -0.0440 -0.0105 61 HIS D CB +13201 C CG . HIS D 51 ? 0.6485 0.5429 0.5634 -0.0510 -0.0425 -0.0090 61 HIS D CG +13202 N ND1 . HIS D 51 ? 0.6378 0.5338 0.5535 -0.0492 -0.0408 -0.0072 61 HIS D ND1 +13203 C CD2 . HIS D 51 ? 0.5888 0.4848 0.5074 -0.0536 -0.0425 -0.0089 61 HIS D CD2 +13204 C CE1 . HIS D 51 ? 0.6805 0.5788 0.6000 -0.0504 -0.0399 -0.0061 61 HIS D CE1 +13205 N NE2 . HIS D 51 ? 0.7010 0.5994 0.6223 -0.0531 -0.0407 -0.0071 61 HIS D NE2 +13206 N N . GLY D 52 ? 0.7371 0.6259 0.6411 -0.0504 -0.0495 -0.0149 62 GLY D N +13207 C CA . GLY D 52 ? 0.6223 0.5068 0.5206 -0.0487 -0.0501 -0.0159 62 GLY D CA +13208 C C . GLY D 52 ? 0.7346 0.6138 0.6294 -0.0477 -0.0478 -0.0154 62 GLY D C +13209 O O . GLY D 52 ? 0.7619 0.6386 0.6526 -0.0454 -0.0471 -0.0153 62 GLY D O +13210 N N . LEU D 53 ? 0.6747 0.5520 0.5711 -0.0492 -0.0465 -0.0150 63 LEU D N +13211 C CA . LEU D 53 ? 0.6789 0.5514 0.5723 -0.0479 -0.0443 -0.0145 63 LEU D CA +13212 C C . LEU D 53 ? 0.7172 0.5849 0.6092 -0.0499 -0.0445 -0.0156 63 LEU D C +13213 O O . LEU D 53 ? 0.7228 0.5917 0.6180 -0.0526 -0.0451 -0.0159 63 LEU D O +13214 C CB . LEU D 53 ? 0.6728 0.5472 0.5690 -0.0470 -0.0420 -0.0123 63 LEU D CB +13215 C CG . LEU D 53 ? 0.7757 0.6548 0.6740 -0.0453 -0.0413 -0.0109 63 LEU D CG +13216 C CD1 . LEU D 53 ? 0.6547 0.5351 0.5559 -0.0450 -0.0392 -0.0091 63 LEU D CD1 +13217 C CD2 . LEU D 53 ? 0.6287 0.5062 0.5228 -0.0427 -0.0409 -0.0110 63 LEU D CD2 +13218 N N . ALA D 54 ? 0.6569 0.5191 0.5441 -0.0485 -0.0437 -0.0162 64 ALA D N +13219 C CA . ALA D 54 ? 0.7095 0.5665 0.5951 -0.0499 -0.0431 -0.0168 64 ALA D CA +13220 C C . ALA D 54 ? 0.6805 0.5373 0.5681 -0.0493 -0.0408 -0.0149 64 ALA D C +13221 O O . ALA D 54 ? 0.7669 0.6257 0.6551 -0.0470 -0.0393 -0.0135 64 ALA D O +13222 C CB . ALA D 54 ? 0.7018 0.5528 0.5814 -0.0484 -0.0431 -0.0182 64 ALA D CB +13223 N N . SER D 55 ? 0.7147 0.5690 0.6033 -0.0514 -0.0404 -0.0149 65 SER D N +13224 C CA . SER D 55 ? 0.6863 0.5408 0.5770 -0.0510 -0.0384 -0.0130 65 SER D CA +13225 C C . SER D 55 ? 0.7539 0.6029 0.6432 -0.0524 -0.0376 -0.0132 65 SER D C +13226 O O . SER D 55 ? 0.7089 0.5583 0.6004 -0.0528 -0.0362 -0.0117 65 SER D O +13227 C CB . SER D 55 ? 0.7064 0.5673 0.6026 -0.0523 -0.0384 -0.0118 65 SER D CB +13228 O OG . SER D 55 ? 0.7455 0.6077 0.6440 -0.0555 -0.0399 -0.0128 65 SER D OG +13229 N N . SER D 56 ? 0.6885 0.5320 0.5738 -0.0530 -0.0383 -0.0149 66 SER D N +13230 C CA . SER D 56 ? 0.7008 0.5382 0.5840 -0.0545 -0.0377 -0.0152 66 SER D CA +13231 C C . SER D 56 ? 0.7670 0.5980 0.6446 -0.0524 -0.0373 -0.0162 66 SER D C +13232 O O . SER D 56 ? 0.7090 0.5399 0.5840 -0.0508 -0.0380 -0.0172 66 SER D O +13233 C CB . SER D 56 ? 0.6976 0.5347 0.5822 -0.0584 -0.0394 -0.0165 66 SER D CB +13234 O OG . SER D 56 ? 0.7468 0.5837 0.6293 -0.0587 -0.0414 -0.0185 66 SER D OG +13235 N N . TYR D 57 ? 0.7115 0.5368 0.5869 -0.0524 -0.0362 -0.0159 67 TYR D N +13236 C CA . TYR D 57 ? 0.7605 0.5790 0.6303 -0.0508 -0.0359 -0.0171 67 TYR D CA +13237 C C . TYR D 57 ? 0.7546 0.5705 0.6216 -0.0525 -0.0379 -0.0194 67 TYR D C +13238 O O . TYR D 57 ? 0.7585 0.5714 0.6213 -0.0506 -0.0382 -0.0206 67 TYR D O +13239 C CB . TYR D 57 ? 0.6668 0.4790 0.5344 -0.0509 -0.0346 -0.0165 67 TYR D CB +13240 C CG . TYR D 57 ? 0.7434 0.5576 0.6133 -0.0491 -0.0328 -0.0143 67 TYR D CG +13241 C CD1 . TYR D 57 ? 0.7309 0.5481 0.6011 -0.0456 -0.0318 -0.0134 67 TYR D CD1 +13242 C CD2 . TYR D 57 ? 0.6775 0.4908 0.5492 -0.0510 -0.0321 -0.0131 67 TYR D CD2 +13243 C CE1 . TYR D 57 ? 0.6802 0.4994 0.5526 -0.0439 -0.0303 -0.0115 67 TYR D CE1 +13244 C CE2 . TYR D 57 ? 0.8114 0.6264 0.6849 -0.0492 -0.0305 -0.0111 67 TYR D CE2 +13245 C CZ . TYR D 57 ? 0.7314 0.5494 0.6053 -0.0457 -0.0297 -0.0103 67 TYR D CZ +13246 O OH . TYR D 57 ? 0.7067 0.5265 0.5825 -0.0440 -0.0284 -0.0085 67 TYR D OH +13247 N N . LEU D 58 ? 0.7108 0.5280 0.5802 -0.0562 -0.0394 -0.0201 68 LEU D N +13248 C CA . LEU D 58 ? 0.7852 0.6003 0.6523 -0.0582 -0.0415 -0.0225 68 LEU D CA +13249 C C . LEU D 58 ? 0.7501 0.5681 0.6159 -0.0561 -0.0427 -0.0233 68 LEU D C +13250 O O . LEU D 58 ? 0.7951 0.6090 0.6564 -0.0557 -0.0437 -0.0252 68 LEU D O +13251 C CB . LEU D 58 ? 0.7739 0.5920 0.6451 -0.0624 -0.0429 -0.0230 68 LEU D CB +13252 C CG . LEU D 58 ? 0.8840 0.6997 0.7531 -0.0648 -0.0453 -0.0256 68 LEU D CG +13253 C CD1 . LEU D 58 ? 0.7343 0.5409 0.5972 -0.0644 -0.0450 -0.0269 68 LEU D CD1 +13254 C CD2 . LEU D 58 ? 0.7504 0.5687 0.6238 -0.0692 -0.0465 -0.0262 68 LEU D CD2 +13255 N N . GLU D 59 ? 0.6662 0.4909 0.5355 -0.0547 -0.0424 -0.0220 69 GLU D N +13256 C CA . GLU D 59 ? 0.6941 0.5218 0.5623 -0.0527 -0.0433 -0.0225 69 GLU D CA +13257 C C . GLU D 59 ? 0.7354 0.5607 0.5998 -0.0489 -0.0416 -0.0220 69 GLU D C +13258 O O . GLU D 59 ? 0.7432 0.5699 0.6057 -0.0472 -0.0421 -0.0226 69 GLU D O +13259 C CB . GLU D 59 ? 0.7053 0.5410 0.5788 -0.0530 -0.0437 -0.0213 69 GLU D CB +13260 C CG . GLU D 59 ? 0.7127 0.5517 0.5904 -0.0567 -0.0454 -0.0219 69 GLU D CG +13261 C CD . GLU D 59 ? 0.7191 0.5656 0.6022 -0.0568 -0.0454 -0.0204 69 GLU D CD +13262 O OE1 . GLU D 59 ? 0.7598 0.6081 0.6459 -0.0567 -0.0437 -0.0186 69 GLU D OE1 +13263 O OE2 . GLU D 59 ? 0.7808 0.6316 0.6652 -0.0570 -0.0473 -0.0212 69 GLU D OE2 +13264 N N . GLY D 60 ? 0.7234 0.5453 0.5868 -0.0475 -0.0395 -0.0211 70 GLY D N +13265 C CA . GLY D 60 ? 0.7545 0.5746 0.6147 -0.0439 -0.0379 -0.0208 70 GLY D CA +13266 C C . GLY D 60 ? 0.8760 0.7003 0.7395 -0.0418 -0.0359 -0.0186 70 GLY D C +13267 O O . GLY D 60 ? 0.7322 0.5557 0.5936 -0.0388 -0.0345 -0.0183 70 GLY D O +13268 N N . CYS D 61 ? 0.7124 0.5412 0.5808 -0.0433 -0.0359 -0.0172 71 CYS D N +13269 C CA . CYS D 61 ? 0.7935 0.6259 0.6649 -0.0415 -0.0341 -0.0152 71 CYS D CA +13270 C C . CYS D 61 ? 0.7933 0.6211 0.6632 -0.0402 -0.0325 -0.0146 71 CYS D C +13271 O O . CYS D 61 ? 0.7735 0.5959 0.6411 -0.0415 -0.0327 -0.0154 71 CYS D O +13272 C CB . CYS D 61 ? 0.6703 0.5083 0.5471 -0.0435 -0.0345 -0.0139 71 CYS D CB +13273 S SG . CYS D 61 ? 0.7633 0.6075 0.6423 -0.0443 -0.0363 -0.0143 71 CYS D SG +13274 N N . ASN D 62 ? 0.7634 0.5936 0.6349 -0.0377 -0.0308 -0.0131 72 ASN D N +13275 C CA . ASN D 62 ? 0.6513 0.4780 0.5218 -0.0361 -0.0293 -0.0124 72 ASN D CA +13276 C C . ASN D 62 ? 0.7922 0.6224 0.6671 -0.0368 -0.0287 -0.0104 72 ASN D C +13277 O O . ASN D 62 ? 0.7350 0.5700 0.6135 -0.0387 -0.0294 -0.0098 72 ASN D O +13278 C CB . ASN D 62 ? 0.7345 0.5607 0.6029 -0.0325 -0.0279 -0.0125 72 ASN D CB +13279 C CG . ASN D 62 ? 0.8242 0.6571 0.6958 -0.0311 -0.0272 -0.0114 72 ASN D CG +13280 O OD1 . ASN D 62 ? 0.8224 0.6594 0.6980 -0.0314 -0.0268 -0.0099 72 ASN D OD1 +13281 N ND2 . ASN D 62 ? 0.7464 0.5800 0.6161 -0.0296 -0.0269 -0.0123 72 ASN D ND2 +13282 N N . PHE D 63 ? 0.7395 0.5671 0.6138 -0.0353 -0.0274 -0.0095 73 PHE D N +13283 C CA . PHE D 63 ? 0.7763 0.6063 0.6541 -0.0359 -0.0269 -0.0078 73 PHE D CA +13284 C C . PHE D 63 ? 0.7618 0.5992 0.6438 -0.0353 -0.0266 -0.0066 73 PHE D C +13285 O O . PHE D 63 ? 0.6938 0.5345 0.5793 -0.0370 -0.0267 -0.0054 73 PHE D O +13286 C CB . PHE D 63 ? 0.7366 0.5627 0.6127 -0.0337 -0.0256 -0.0070 73 PHE D CB +13287 C CG . PHE D 63 ? 0.8563 0.6852 0.7356 -0.0337 -0.0249 -0.0051 73 PHE D CG +13288 C CD1 . PHE D 63 ? 0.7070 0.5353 0.5877 -0.0366 -0.0253 -0.0044 73 PHE D CD1 +13289 C CD2 . PHE D 63 ? 0.7636 0.5956 0.6446 -0.0308 -0.0239 -0.0041 73 PHE D CD2 +13290 C CE1 . PHE D 63 ? 0.7948 0.6254 0.6780 -0.0365 -0.0246 -0.0027 73 PHE D CE1 +13291 C CE2 . PHE D 63 ? 0.8635 0.6978 0.7471 -0.0307 -0.0234 -0.0024 73 PHE D CE2 +13292 C CZ . PHE D 63 ? 0.7749 0.6084 0.6595 -0.0335 -0.0238 -0.0017 73 PHE D CZ +13293 N N . LEU D 64 ? 0.6717 0.5117 0.5536 -0.0330 -0.0261 -0.0068 74 LEU D N +13294 C CA . LEU D 64 ? 0.7296 0.5762 0.6152 -0.0325 -0.0258 -0.0058 74 LEU D CA +13295 C C . LEU D 64 ? 0.6773 0.5275 0.5647 -0.0348 -0.0272 -0.0061 74 LEU D C +13296 O O . LEU D 64 ? 0.7338 0.5890 0.6249 -0.0354 -0.0272 -0.0050 74 LEU D O +13297 C CB . LEU D 64 ? 0.6466 0.4946 0.5314 -0.0296 -0.0247 -0.0060 74 LEU D CB +13298 C CG . LEU D 64 ? 0.7633 0.6084 0.6467 -0.0270 -0.0234 -0.0057 74 LEU D CG +13299 C CD1 . LEU D 64 ? 0.7470 0.5941 0.6301 -0.0242 -0.0222 -0.0060 74 LEU D CD1 +13300 C CD2 . LEU D 64 ? 0.7359 0.5824 0.6222 -0.0270 -0.0230 -0.0041 74 LEU D CD2 +13301 N N . THR D 65 ? 0.6714 0.5192 0.5564 -0.0362 -0.0284 -0.0076 75 THR D N +13302 C CA . THR D 65 ? 0.6613 0.5130 0.5480 -0.0379 -0.0298 -0.0080 75 THR D CA +13303 C C . THR D 65 ? 0.6720 0.5233 0.5600 -0.0412 -0.0312 -0.0084 75 THR D C +13304 O O . THR D 65 ? 0.6911 0.5464 0.5813 -0.0426 -0.0324 -0.0086 75 THR D O +13305 C CB . THR D 65 ? 0.6512 0.5018 0.5345 -0.0369 -0.0304 -0.0095 75 THR D CB +13306 O OG1 . THR D 65 ? 0.6883 0.5330 0.5676 -0.0373 -0.0310 -0.0110 75 THR D OG1 +13307 C CG2 . THR D 65 ? 0.6385 0.4903 0.5210 -0.0338 -0.0289 -0.0090 75 THR D CG2 +13308 N N . VAL D 66 ? 0.6536 0.5004 0.5405 -0.0424 -0.0311 -0.0086 76 VAL D N +13309 C CA . VAL D 66 ? 0.6748 0.5220 0.5636 -0.0458 -0.0322 -0.0089 76 VAL D CA +13310 C C . VAL D 66 ? 0.6303 0.4831 0.5240 -0.0467 -0.0318 -0.0073 76 VAL D C +13311 O O . VAL D 66 ? 0.7013 0.5559 0.5964 -0.0449 -0.0305 -0.0058 76 VAL D O +13312 C CB . VAL D 66 ? 0.6870 0.5279 0.5734 -0.0473 -0.0319 -0.0093 76 VAL D CB +13313 C CG1 . VAL D 66 ? 0.6374 0.4729 0.5192 -0.0471 -0.0327 -0.0112 76 VAL D CG1 +13314 C CG2 . VAL D 66 ? 0.6306 0.4693 0.5168 -0.0456 -0.0301 -0.0078 76 VAL D CG2 +13315 N N . ALA D 67 ? 0.6889 0.5443 0.5852 -0.0495 -0.0330 -0.0077 77 ALA D N +13316 C CA . ALA D 67 ? 0.6873 0.5475 0.5881 -0.0506 -0.0326 -0.0062 77 ALA D CA +13317 C C . ALA D 67 ? 0.6844 0.5455 0.5875 -0.0542 -0.0336 -0.0070 77 ALA D C +13318 O O . ALA D 67 ? 0.7543 0.6140 0.6560 -0.0556 -0.0351 -0.0087 77 ALA D O +13319 C CB . ALA D 67 ? 0.7033 0.5696 0.6065 -0.0491 -0.0328 -0.0056 77 ALA D CB +13320 N N . VAL D 68 ? 0.6592 0.5229 0.5657 -0.0556 -0.0329 -0.0057 78 VAL D N +13321 C CA . VAL D 68 ? 0.6406 0.5082 0.5508 -0.0586 -0.0338 -0.0062 78 VAL D CA +13322 C C . VAL D 68 ? 0.6842 0.5587 0.5979 -0.0574 -0.0342 -0.0055 78 VAL D C +13323 O O . VAL D 68 ? 0.7128 0.5898 0.6284 -0.0563 -0.0329 -0.0038 78 VAL D O +13324 C CB . VAL D 68 ? 0.6935 0.5597 0.6053 -0.0611 -0.0327 -0.0054 78 VAL D CB +13325 C CG1 . VAL D 68 ? 0.6626 0.5338 0.5789 -0.0640 -0.0335 -0.0058 78 VAL D CG1 +13326 C CG2 . VAL D 68 ? 0.6917 0.5503 0.5995 -0.0623 -0.0324 -0.0062 78 VAL D CG2 +13327 N N . SER D 69 ? 0.7120 0.5894 0.6263 -0.0576 -0.0360 -0.0067 79 SER D N +13328 C CA . SER D 69 ? 0.6008 0.4841 0.5176 -0.0561 -0.0365 -0.0062 79 SER D CA +13329 C C . SER D 69 ? 0.7347 0.6234 0.6564 -0.0583 -0.0368 -0.0060 79 SER D C +13330 O O . SER D 69 ? 0.6737 0.5620 0.5971 -0.0612 -0.0372 -0.0066 79 SER D O +13331 C CB . SER D 69 ? 0.6384 0.5222 0.5531 -0.0550 -0.0382 -0.0076 79 SER D CB +13332 O OG . SER D 69 ? 0.6539 0.5329 0.5640 -0.0530 -0.0377 -0.0079 79 SER D OG +13333 N N . THR D 70 ? 0.6419 0.5355 0.5661 -0.0568 -0.0367 -0.0050 80 THR D N +13334 C CA . THR D 70 ? 0.6616 0.5608 0.5905 -0.0582 -0.0370 -0.0046 80 THR D CA +13335 C C . THR D 70 ? 0.6787 0.5808 0.6092 -0.0598 -0.0393 -0.0064 80 THR D C +13336 O O . THR D 70 ? 0.6635 0.5639 0.5912 -0.0590 -0.0408 -0.0077 80 THR D O +13337 C CB . THR D 70 ? 0.6516 0.5549 0.5820 -0.0559 -0.0364 -0.0032 80 THR D CB +13338 O OG1 . THR D 70 ? 0.6390 0.5420 0.5667 -0.0536 -0.0373 -0.0037 80 THR D OG1 +13339 C CG2 . THR D 70 ? 0.6492 0.5507 0.5791 -0.0548 -0.0341 -0.0014 80 THR D CG2 +13340 N N . PRO D 71 ? 0.6581 0.5648 0.5932 -0.0619 -0.0396 -0.0066 81 PRO D N +13341 C CA . PRO D 71 ? 0.6433 0.5535 0.5805 -0.0632 -0.0420 -0.0084 81 PRO D CA +13342 C C . PRO D 71 ? 0.7154 0.6290 0.6522 -0.0606 -0.0435 -0.0086 81 PRO D C +13343 O O . PRO D 71 ? 0.7662 0.6802 0.7020 -0.0581 -0.0425 -0.0072 81 PRO D O +13344 C CB . PRO D 71 ? 0.6433 0.5582 0.5859 -0.0657 -0.0415 -0.0082 81 PRO D CB +13345 C CG . PRO D 71 ? 0.6972 0.6092 0.6395 -0.0663 -0.0388 -0.0065 81 PRO D CG +13346 C CD . PRO D 71 ? 0.6128 0.5215 0.5512 -0.0631 -0.0378 -0.0052 81 PRO D CD +13347 N N . ALA D 72 ? 0.7667 0.6827 0.7044 -0.0614 -0.0459 -0.0103 82 ALA D N +13348 C CA . ALA D 72 ? 0.7065 0.6256 0.6437 -0.0591 -0.0476 -0.0106 82 ALA D CA +13349 C C . ALA D 72 ? 0.7869 0.7116 0.7281 -0.0582 -0.0469 -0.0093 82 ALA D C +13350 O O . ALA D 72 ? 0.6642 0.5919 0.6097 -0.0600 -0.0460 -0.0089 82 ALA D O +13351 C CB . ALA D 72 ? 0.6969 0.6177 0.6347 -0.0603 -0.0505 -0.0129 82 ALA D CB +13352 N N . ASN D 73 ? 0.5907 0.5167 0.5304 -0.0553 -0.0474 -0.0087 83 ASN D N +13353 C CA . ASN D 73 ? 0.6182 0.5492 0.5612 -0.0542 -0.0468 -0.0075 83 ASN D CA +13354 C C . ASN D 73 ? 0.6924 0.6294 0.6406 -0.0557 -0.0483 -0.0085 83 ASN D C +13355 O O . ASN D 73 ? 0.7095 0.6505 0.6615 -0.0558 -0.0473 -0.0076 83 ASN D O +13356 C CB . ASN D 73 ? 0.5986 0.5297 0.5387 -0.0509 -0.0472 -0.0069 83 ASN D CB +13357 C CG . ASN D 73 ? 0.6514 0.5872 0.5947 -0.0497 -0.0467 -0.0057 83 ASN D CG +13358 O OD1 . ASN D 73 ? 0.6670 0.6026 0.6110 -0.0493 -0.0445 -0.0041 83 ASN D OD1 +13359 N ND2 . ASN D 73 ? 0.6851 0.6252 0.6302 -0.0490 -0.0487 -0.0065 83 ASN D ND2 +13360 N N . SER D 74 ? 0.6871 0.6248 0.6355 -0.0568 -0.0507 -0.0105 84 SER D N +13361 C CA . SER D 74 ? 0.6678 0.6116 0.6213 -0.0583 -0.0523 -0.0117 84 SER D CA +13362 C C . SER D 74 ? 0.7209 0.6664 0.6789 -0.0615 -0.0508 -0.0116 84 SER D C +13363 O O . SER D 74 ? 0.6809 0.6322 0.6440 -0.0627 -0.0515 -0.0122 84 SER D O +13364 C CB . SER D 74 ? 0.7014 0.6452 0.6537 -0.0588 -0.0554 -0.0139 84 SER D CB +13365 O OG . SER D 74 ? 0.8192 0.7585 0.7697 -0.0612 -0.0554 -0.0150 84 SER D OG +13366 N N . MET D 75 ? 0.6554 0.5960 0.6116 -0.0630 -0.0488 -0.0109 85 MET D N +13367 C CA . MET D 75 ? 0.6038 0.5457 0.5639 -0.0659 -0.0471 -0.0106 85 MET D CA +13368 C C . MET D 75 ? 0.7727 0.7180 0.7357 -0.0651 -0.0450 -0.0087 85 MET D C +13369 O O . MET D 75 ? 0.6910 0.6384 0.6578 -0.0674 -0.0436 -0.0085 85 MET D O +13370 C CB . MET D 75 ? 0.7377 0.6729 0.6946 -0.0676 -0.0454 -0.0102 85 MET D CB +13371 C CG . MET D 75 ? 0.8353 0.7660 0.7886 -0.0684 -0.0471 -0.0120 85 MET D CG +13372 S SD . MET D 75 ? 1.0054 0.9400 0.9619 -0.0710 -0.0502 -0.0148 85 MET D SD +13373 C CE . MET D 75 ? 0.7552 0.6937 0.7179 -0.0745 -0.0486 -0.0145 85 MET D CE +13374 N N . GLY D 76 ? 0.6893 0.6350 0.6506 -0.0619 -0.0447 -0.0074 86 GLY D N +13375 C CA . GLY D 76 ? 0.5933 0.5413 0.5566 -0.0610 -0.0426 -0.0056 86 GLY D CA +13376 C C . GLY D 76 ? 0.6524 0.5964 0.6147 -0.0623 -0.0400 -0.0043 86 GLY D C +13377 O O . GLY D 76 ? 0.6357 0.5740 0.5938 -0.0620 -0.0394 -0.0040 86 GLY D O +13378 N N . HIS D 77 ? 0.5978 0.5448 0.5638 -0.0637 -0.0384 -0.0036 87 HIS D N +13379 C CA . HIS D 77 ? 0.6342 0.5776 0.5994 -0.0650 -0.0358 -0.0023 87 HIS D CA +13380 C C . HIS D 77 ? 0.6550 0.5982 0.6226 -0.0688 -0.0353 -0.0032 87 HIS D C +13381 O O . HIS D 77 ? 0.6516 0.5934 0.6198 -0.0703 -0.0331 -0.0021 87 HIS D O +13382 C CB . HIS D 77 ? 0.5954 0.5413 0.5622 -0.0637 -0.0340 -0.0005 87 HIS D CB +13383 C CG . HIS D 77 ? 0.6907 0.6365 0.6551 -0.0603 -0.0342 0.0004 87 HIS D CG +13384 N ND1 . HIS D 77 ? 0.6404 0.5912 0.6069 -0.0584 -0.0353 0.0003 87 HIS D ND1 +13385 C CD2 . HIS D 77 ? 0.6050 0.5463 0.5652 -0.0583 -0.0336 0.0014 87 HIS D CD2 +13386 C CE1 . HIS D 77 ? 0.6338 0.5828 0.5972 -0.0557 -0.0353 0.0012 87 HIS D CE1 +13387 N NE2 . HIS D 77 ? 0.6541 0.5976 0.6138 -0.0555 -0.0342 0.0019 87 HIS D NE2 +13388 N N . SER D 78 ? 0.7167 0.6610 0.6854 -0.0704 -0.0374 -0.0051 88 SER D N +13389 C CA . SER D 78 ? 0.6164 0.5604 0.5873 -0.0743 -0.0371 -0.0063 88 SER D CA +13390 C C . SER D 78 ? 0.6608 0.5980 0.6283 -0.0757 -0.0350 -0.0053 88 SER D C +13391 O O . SER D 78 ? 0.6725 0.6039 0.6350 -0.0741 -0.0350 -0.0048 88 SER D O +13392 C CB . SER D 78 ? 0.7044 0.6485 0.6751 -0.0753 -0.0399 -0.0085 88 SER D CB +13393 O OG . SER D 78 ? 0.6379 0.5812 0.6106 -0.0792 -0.0396 -0.0097 88 SER D OG +13394 N N . LEU D 79 ? 0.6403 0.5780 0.6105 -0.0786 -0.0332 -0.0050 89 LEU D N +13395 C CA . LEU D 79 ? 0.6703 0.6012 0.6372 -0.0804 -0.0313 -0.0043 89 LEU D CA +13396 C C . LEU D 79 ? 0.7572 0.6831 0.7210 -0.0816 -0.0328 -0.0058 89 LEU D C +13397 O O . LEU D 79 ? 0.6607 0.5796 0.6198 -0.0816 -0.0318 -0.0052 89 LEU D O +13398 C CB . LEU D 79 ? 0.7268 0.6594 0.6974 -0.0838 -0.0293 -0.0040 89 LEU D CB +13399 C CG . LEU D 79 ? 0.7728 0.7095 0.7458 -0.0826 -0.0274 -0.0023 89 LEU D CG +13400 C CD1 . LEU D 79 ? 0.7482 0.6878 0.7254 -0.0860 -0.0255 -0.0023 89 LEU D CD1 +13401 C CD2 . LEU D 79 ? 0.6447 0.5763 0.6130 -0.0800 -0.0258 -0.0002 89 LEU D CD2 +13402 N N . LEU D 80 ? 0.7644 0.6936 0.7303 -0.0826 -0.0353 -0.0079 90 LEU D N +13403 C CA . LEU D 80 ? 0.6458 0.5706 0.6088 -0.0838 -0.0370 -0.0096 90 LEU D CA +13404 C C . LEU D 80 ? 0.7381 0.6577 0.7000 -0.0874 -0.0354 -0.0097 90 LEU D C +13405 O O . LEU D 80 ? 0.6445 0.5569 0.6015 -0.0874 -0.0352 -0.0098 90 LEU D O +13406 C CB . LEU D 80 ? 0.8297 0.7497 0.7870 -0.0804 -0.0377 -0.0092 90 LEU D CB +13407 C CG . LEU D 80 ? 0.8614 0.7851 0.8189 -0.0780 -0.0403 -0.0103 90 LEU D CG +13408 C CD1 . LEU D 80 ? 0.7932 0.7118 0.7449 -0.0749 -0.0406 -0.0098 90 LEU D CD1 +13409 C CD2 . LEU D 80 ? 0.9034 0.8288 0.8626 -0.0804 -0.0428 -0.0127 90 LEU D CD2 +13410 N N . LEU D 81 ? 0.6447 0.5677 0.6111 -0.0904 -0.0340 -0.0097 91 LEU D N +13411 C CA . LEU D 81 ? 0.7081 0.6269 0.6741 -0.0943 -0.0325 -0.0100 91 LEU D CA +13412 C C . LEU D 81 ? 0.7223 0.6392 0.6877 -0.0966 -0.0348 -0.0125 91 LEU D C +13413 O O . LEU D 81 ? 0.7431 0.6651 0.7112 -0.0963 -0.0374 -0.0142 91 LEU D O +13414 C CB . LEU D 81 ? 0.6943 0.6183 0.6660 -0.0973 -0.0308 -0.0098 91 LEU D CB +13415 C CG . LEU D 81 ? 0.7117 0.6385 0.6847 -0.0953 -0.0287 -0.0076 91 LEU D CG +13416 C CD1 . LEU D 81 ? 0.6709 0.6033 0.6498 -0.0985 -0.0270 -0.0076 91 LEU D CD1 +13417 C CD2 . LEU D 81 ? 0.7043 0.6236 0.6717 -0.0938 -0.0265 -0.0055 91 LEU D CD2 +13418 N N . LEU D 82 ? 0.7803 0.6896 0.7418 -0.0987 -0.0340 -0.0127 92 LEU D N +13419 C CA . LEU D 82 ? 0.8043 0.7110 0.7646 -0.1009 -0.0361 -0.0151 92 LEU D CA +13420 C C . LEU D 82 ? 0.7605 0.6742 0.7273 -0.1043 -0.0374 -0.0171 92 LEU D C +13421 O O . LEU D 82 ? 0.7923 0.7078 0.7598 -0.1048 -0.0402 -0.0193 92 LEU D O +13422 C CB . LEU D 82 ? 0.7102 0.6076 0.6657 -0.1030 -0.0345 -0.0148 92 LEU D CB +13423 C CG . LEU D 82 ? 0.7236 0.6171 0.6776 -0.1061 -0.0362 -0.0172 92 LEU D CG +13424 C CD1 . LEU D 82 ? 0.7469 0.6409 0.6989 -0.1037 -0.0394 -0.0189 92 LEU D CD1 +13425 C CD2 . LEU D 82 ? 0.7794 0.6628 0.7276 -0.1073 -0.0344 -0.0166 92 LEU D CD2 +13426 N N . TRP D 83 ? 0.7914 0.7096 0.7631 -0.1066 -0.0354 -0.0164 93 TRP D N +13427 C CA . TRP D 83 ? 0.7158 0.6413 0.6944 -0.1100 -0.0362 -0.0182 93 TRP D CA +13428 C C . TRP D 83 ? 0.8456 0.7806 0.8294 -0.1077 -0.0374 -0.0182 93 TRP D C +13429 O O . TRP D 83 ? 0.7950 0.7371 0.7852 -0.1102 -0.0377 -0.0194 93 TRP D O +13430 C CB . TRP D 83 ? 0.8399 0.7645 0.8208 -0.1142 -0.0331 -0.0175 93 TRP D CB +13431 C CG . TRP D 83 ? 0.7294 0.6539 0.7099 -0.1125 -0.0300 -0.0148 93 TRP D CG +13432 C CD1 . TRP D 83 ? 0.7364 0.6686 0.7221 -0.1116 -0.0291 -0.0139 93 TRP D CD1 +13433 C CD2 . TRP D 83 ? 0.7119 0.6282 0.6865 -0.1113 -0.0276 -0.0125 93 TRP D CD2 +13434 N NE1 . TRP D 83 ? 0.7471 0.6762 0.7302 -0.1101 -0.0262 -0.0114 93 TRP D NE1 +13435 C CE2 . TRP D 83 ? 0.6905 0.6101 0.6669 -0.1098 -0.0254 -0.0104 93 TRP D CE2 +13436 C CE3 . TRP D 83 ? 0.7609 0.6676 0.7288 -0.1111 -0.0273 -0.0122 93 TRP D CE3 +13437 C CZ2 . TRP D 83 ? 0.7328 0.6462 0.7044 -0.1083 -0.0229 -0.0080 93 TRP D CZ2 +13438 C CZ3 . TRP D 83 ? 0.7589 0.6596 0.7222 -0.1095 -0.0248 -0.0097 93 TRP D CZ3 +13439 C CH2 . TRP D 83 ? 0.6948 0.5990 0.6601 -0.1081 -0.0227 -0.0077 93 TRP D CH2 +13440 N N . GLY D 84 ? 0.8198 0.7550 0.8010 -0.1031 -0.0379 -0.0169 94 GLY D N +13441 C CA . GLY D 84 ? 0.7581 0.7015 0.7435 -0.1005 -0.0390 -0.0168 94 GLY D CA +13442 C C . GLY D 84 ? 0.7556 0.7036 0.7431 -0.1000 -0.0428 -0.0192 94 GLY D C +13443 O O . GLY D 84 ? 0.7835 0.7283 0.7689 -0.1016 -0.0446 -0.0211 94 GLY D O +13444 N N . PRO D 85 ? 0.7967 0.7522 0.7879 -0.0977 -0.0439 -0.0193 95 PRO D N +13445 C CA . PRO D 85 ? 0.7520 0.7129 0.7459 -0.0972 -0.0476 -0.0216 95 PRO D CA +13446 C C . PRO D 85 ? 0.7605 0.7173 0.7487 -0.0940 -0.0501 -0.0221 95 PRO D C +13447 O O . PRO D 85 ? 0.7926 0.7526 0.7819 -0.0937 -0.0533 -0.0241 95 PRO D O +13448 C CB . PRO D 85 ? 0.7882 0.7576 0.7874 -0.0952 -0.0476 -0.0211 95 PRO D CB +13449 C CG . PRO D 85 ? 0.7772 0.7439 0.7739 -0.0930 -0.0446 -0.0182 95 PRO D CG +13450 C CD . PRO D 85 ? 0.7918 0.7513 0.7853 -0.0956 -0.0420 -0.0173 95 PRO D CD +13451 N N . GLU D 86 ? 0.7596 0.7096 0.7416 -0.0916 -0.0488 -0.0203 96 GLU D N +13452 C CA . GLU D 86 ? 0.7414 0.6873 0.7179 -0.0889 -0.0509 -0.0208 96 GLU D CA +13453 C C . GLU D 86 ? 0.8214 0.7607 0.7942 -0.0912 -0.0516 -0.0223 96 GLU D C +13454 O O . GLU D 86 ? 0.7397 0.6791 0.7114 -0.0912 -0.0546 -0.0244 96 GLU D O +13455 C CB . GLU D 86 ? 0.6884 0.6306 0.6604 -0.0851 -0.0492 -0.0184 96 GLU D CB +13456 C CG . GLU D 86 ? 0.6401 0.5883 0.6155 -0.0828 -0.0484 -0.0169 96 GLU D CG +13457 C CD . GLU D 86 ? 0.6868 0.6353 0.6645 -0.0841 -0.0450 -0.0151 96 GLU D CD +13458 O OE1 . GLU D 86 ? 0.7995 0.7435 0.7761 -0.0869 -0.0432 -0.0149 96 GLU D OE1 +13459 O OE2 . GLU D 86 ? 0.7174 0.6707 0.6978 -0.0824 -0.0442 -0.0139 96 GLU D OE2 +13460 N N . ALA D 87 ? 0.7259 0.6591 0.6963 -0.0932 -0.0491 -0.0213 97 ALA D N +13461 C CA . ALA D 87 ? 0.8594 0.7856 0.8258 -0.0954 -0.0496 -0.0226 97 ALA D CA +13462 C C . ALA D 87 ? 0.7481 0.6765 0.7188 -0.1002 -0.0503 -0.0247 97 ALA D C +13463 O O . ALA D 87 ? 0.7415 0.6663 0.7099 -0.1019 -0.0520 -0.0266 97 ALA D O +13464 C CB . ALA D 87 ? 0.7448 0.6629 0.7063 -0.0952 -0.0466 -0.0207 97 ALA D CB +13465 N N . GLN D 88 ? 0.8700 0.8040 0.8467 -0.1025 -0.0487 -0.0243 98 GLN D N +13466 C CA . GLN D 88 ? 0.7898 0.7274 0.7718 -0.1072 -0.0493 -0.0263 98 GLN D CA +13467 C C . GLN D 88 ? 0.8268 0.7564 0.8053 -0.1107 -0.0484 -0.0270 98 GLN D C +13468 O O . GLN D 88 ? 0.8245 0.7540 0.8040 -0.1137 -0.0503 -0.0294 98 GLN D O +13469 C CB . GLN D 88 ? 0.7605 0.7043 0.7457 -0.1070 -0.0532 -0.0289 98 GLN D CB +13470 C CG . GLN D 88 ? 0.9967 0.9477 0.9845 -0.1031 -0.0544 -0.0283 98 GLN D CG +13471 C CD . GLN D 88 ? 1.0482 1.0037 1.0373 -0.1020 -0.0585 -0.0307 98 GLN D CD +13472 O OE1 . GLN D 88 ? 1.3144 1.2725 1.3068 -0.1052 -0.0604 -0.0331 98 GLN D OE1 +13473 N NE2 . GLN D 88 ? 1.0502 1.0062 1.0364 -0.0975 -0.0600 -0.0301 98 GLN D NE2 +13474 N N . GLY D 89 ? 0.8168 0.7394 0.7909 -0.1102 -0.0454 -0.0248 99 GLY D N +13475 C CA . GLY D 89 ? 0.7118 0.6262 0.6822 -0.1134 -0.0442 -0.0252 99 GLY D CA +13476 C C . GLY D 89 ? 0.7626 0.6696 0.7264 -0.1122 -0.0460 -0.0263 99 GLY D C +13477 O O . GLY D 89 ? 0.8738 0.7733 0.8340 -0.1146 -0.0450 -0.0266 99 GLY D O +13478 N N . ASP D 90 ? 0.8533 0.7618 0.8152 -0.1086 -0.0485 -0.0268 100 ASP D N +13479 C CA . ASP D 90 ? 0.7632 0.6652 0.7190 -0.1075 -0.0504 -0.0281 100 ASP D CA +13480 C C . ASP D 90 ? 0.8389 0.7340 0.7882 -0.1039 -0.0486 -0.0260 100 ASP D C +13481 O O . ASP D 90 ? 0.8368 0.7342 0.7855 -0.0999 -0.0485 -0.0246 100 ASP D O +13482 C CB . ASP D 90 ? 0.7730 0.6803 0.7301 -0.1058 -0.0540 -0.0300 100 ASP D CB +13483 C CG . ASP D 90 ? 0.8874 0.7886 0.8386 -0.1049 -0.0563 -0.0317 100 ASP D CG +13484 O OD1 . ASP D 90 ? 0.7714 0.6644 0.7164 -0.1037 -0.0549 -0.0308 100 ASP D OD1 +13485 O OD2 . ASP D 90 ? 0.9871 0.8919 0.9397 -0.1053 -0.0595 -0.0340 100 ASP D OD2 +13486 N N . PHE D 91 ? 0.8424 0.7288 0.7870 -0.1053 -0.0471 -0.0257 101 PHE D N +13487 C CA . PHE D 91 ? 0.7815 0.6613 0.7204 -0.1021 -0.0451 -0.0236 101 PHE D CA +13488 C C . PHE D 91 ? 0.9055 0.7836 0.8399 -0.0978 -0.0468 -0.0238 101 PHE D C +13489 O O . PHE D 91 ? 0.7563 0.6334 0.6884 -0.0942 -0.0455 -0.0219 101 PHE D O +13490 C CB . PHE D 91 ? 0.7691 0.6397 0.7036 -0.1045 -0.0435 -0.0236 101 PHE D CB +13491 C CG . PHE D 91 ? 0.8764 0.7398 0.8048 -0.1012 -0.0417 -0.0217 101 PHE D CG +13492 C CD1 . PHE D 91 ? 0.7831 0.6459 0.7116 -0.1000 -0.0389 -0.0191 101 PHE D CD1 +13493 C CD2 . PHE D 91 ? 0.7165 0.5739 0.6389 -0.0990 -0.0429 -0.0226 101 PHE D CD2 +13494 C CE1 . PHE D 91 ? 0.8064 0.6631 0.7296 -0.0968 -0.0375 -0.0175 101 PHE D CE1 +13495 C CE2 . PHE D 91 ? 0.7305 0.5819 0.6477 -0.0957 -0.0414 -0.0210 101 PHE D CE2 +13496 C CZ . PHE D 91 ? 0.7515 0.6025 0.6691 -0.0947 -0.0387 -0.0185 101 PHE D CZ +13497 N N . THR D 92 ? 0.7964 0.6740 0.7295 -0.0984 -0.0496 -0.0262 102 THR D N +13498 C CA . THR D 92 ? 0.7709 0.6464 0.6992 -0.0945 -0.0512 -0.0266 102 THR D CA +13499 C C . THR D 92 ? 0.8966 0.7795 0.8277 -0.0913 -0.0520 -0.0258 102 THR D C +13500 O O . THR D 92 ? 0.7076 0.5892 0.6356 -0.0874 -0.0513 -0.0244 102 THR D O +13501 C CB . THR D 92 ? 0.7913 0.6643 0.7173 -0.0961 -0.0540 -0.0295 102 THR D CB +13502 O OG1 . THR D 92 ? 0.7676 0.6325 0.6901 -0.0987 -0.0530 -0.0301 102 THR D OG1 +13503 C CG2 . THR D 92 ? 0.6490 0.5199 0.5699 -0.0921 -0.0557 -0.0300 102 THR D CG2 +13504 N N . ARG D 93 ? 0.7365 0.6273 0.6737 -0.0929 -0.0533 -0.0266 103 ARG D N +13505 C CA . ARG D 93 ? 0.7464 0.6444 0.6866 -0.0900 -0.0541 -0.0258 103 ARG D CA +13506 C C . ARG D 93 ? 0.7520 0.6505 0.6927 -0.0879 -0.0511 -0.0229 103 ARG D C +13507 O O . ARG D 93 ? 0.7577 0.6570 0.6965 -0.0842 -0.0510 -0.0217 103 ARG D O +13508 C CB . ARG D 93 ? 0.7891 0.6954 0.7362 -0.0924 -0.0558 -0.0272 103 ARG D CB +13509 C CG . ARG D 93 ? 0.9922 0.8988 0.9390 -0.0941 -0.0592 -0.0302 103 ARG D CG +13510 C CD . ARG D 93 ? 0.9693 0.8760 0.9123 -0.0903 -0.0616 -0.0308 103 ARG D CD +13511 N NE . ARG D 93 ? 0.9775 0.8834 0.9194 -0.0920 -0.0648 -0.0337 103 ARG D NE +13512 C CZ . ARG D 93 ? 1.0158 0.9142 0.9520 -0.0925 -0.0653 -0.0349 103 ARG D CZ +13513 N NH1 . ARG D 93 ? 1.0658 0.9569 0.9968 -0.0911 -0.0630 -0.0334 103 ARG D NH1 +13514 N NH2 . ARG D 93 ? 1.1328 1.0310 1.0685 -0.0943 -0.0683 -0.0376 103 ARG D NH2 +13515 N N . TRP D 94 ? 0.7471 0.6451 0.6902 -0.0904 -0.0488 -0.0219 104 TRP D N +13516 C CA . TRP D 94 ? 0.7678 0.6654 0.7109 -0.0888 -0.0459 -0.0192 104 TRP D CA +13517 C C . TRP D 94 ? 0.6978 0.5897 0.6350 -0.0851 -0.0450 -0.0179 104 TRP D C +13518 O O . TRP D 94 ? 0.7276 0.6217 0.6648 -0.0820 -0.0441 -0.0162 104 TRP D O +13519 C CB . TRP D 94 ? 0.7490 0.6439 0.6934 -0.0922 -0.0435 -0.0185 104 TRP D CB +13520 C CG . TRP D 94 ? 0.7659 0.6610 0.7111 -0.0912 -0.0406 -0.0159 104 TRP D CG +13521 C CD1 . TRP D 94 ? 0.7117 0.6136 0.6614 -0.0903 -0.0399 -0.0147 104 TRP D CD1 +13522 C CD2 . TRP D 94 ? 0.6394 0.5276 0.5807 -0.0911 -0.0381 -0.0143 104 TRP D CD2 +13523 N NE1 . TRP D 94 ? 0.7683 0.6679 0.7170 -0.0896 -0.0371 -0.0125 104 TRP D NE1 +13524 C CE2 . TRP D 94 ? 0.7329 0.6242 0.6765 -0.0901 -0.0360 -0.0122 104 TRP D CE2 +13525 C CE3 . TRP D 94 ? 0.7347 0.6142 0.6705 -0.0916 -0.0375 -0.0145 104 TRP D CE3 +13526 C CZ2 . TRP D 94 ? 0.7211 0.6070 0.6617 -0.0895 -0.0334 -0.0102 104 TRP D CZ2 +13527 C CZ3 . TRP D 94 ? 0.7464 0.6206 0.6793 -0.0910 -0.0349 -0.0125 104 TRP D CZ3 +13528 C CH2 . TRP D 94 ? 0.8321 0.7097 0.7674 -0.0900 -0.0330 -0.0104 104 TRP D CH2 +13529 N N . CYS D 95 ? 0.7095 0.5940 0.6415 -0.0853 -0.0453 -0.0188 105 CYS D N +13530 C CA . CYS D 95 ? 0.7061 0.5852 0.6324 -0.0818 -0.0445 -0.0178 105 CYS D CA +13531 C C . CYS D 95 ? 0.7914 0.6738 0.7168 -0.0784 -0.0462 -0.0181 105 CYS D C +13532 O O . CYS D 95 ? 0.7532 0.6351 0.6766 -0.0751 -0.0451 -0.0166 105 CYS D O +13533 C CB . CYS D 95 ? 0.6553 0.5261 0.5763 -0.0828 -0.0447 -0.0190 105 CYS D CB +13534 S SG . CYS D 95 ? 0.7590 0.6238 0.6791 -0.0856 -0.0420 -0.0180 105 CYS D SG +13535 N N . GLN D 96 ? 0.7357 0.6212 0.6623 -0.0792 -0.0489 -0.0201 106 GLN D N +13536 C CA . GLN D 96 ? 0.7844 0.6721 0.7092 -0.0760 -0.0506 -0.0205 106 GLN D CA +13537 C C . GLN D 96 ? 0.7497 0.6444 0.6785 -0.0742 -0.0503 -0.0190 106 GLN D C +13538 O O . GLN D 96 ? 0.7106 0.6063 0.6374 -0.0709 -0.0508 -0.0185 106 GLN D O +13539 C CB . GLN D 96 ? 0.7332 0.6220 0.6578 -0.0773 -0.0538 -0.0231 106 GLN D CB +13540 C CG . GLN D 96 ? 0.7083 0.5898 0.6285 -0.0791 -0.0544 -0.0248 106 GLN D CG +13541 C CD . GLN D 96 ? 0.8794 0.7628 0.8005 -0.0812 -0.0576 -0.0276 106 GLN D CD +13542 O OE1 . GLN D 96 ? 0.7719 0.6613 0.6986 -0.0836 -0.0588 -0.0284 106 GLN D OE1 +13543 N NE2 . GLN D 96 ? 0.7289 0.6075 0.6446 -0.0802 -0.0592 -0.0291 106 GLN D NE2 +13544 N N . LEU D 97 ? 0.6638 0.5632 0.5980 -0.0761 -0.0494 -0.0183 107 LEU D N +13545 C CA . LEU D 97 ? 0.7380 0.6441 0.6762 -0.0746 -0.0491 -0.0171 107 LEU D CA +13546 C C . LEU D 97 ? 0.7622 0.6671 0.6998 -0.0728 -0.0463 -0.0146 107 LEU D C +13547 O O . LEU D 97 ? 0.7361 0.6459 0.6765 -0.0712 -0.0458 -0.0134 107 LEU D O +13548 C CB . LEU D 97 ? 0.6931 0.6055 0.6377 -0.0776 -0.0497 -0.0178 107 LEU D CB +13549 C CG . LEU D 97 ? 0.7514 0.6669 0.6979 -0.0791 -0.0529 -0.0204 107 LEU D CG +13550 C CD1 . LEU D 97 ? 0.8366 0.7587 0.7900 -0.0822 -0.0530 -0.0210 107 LEU D CD1 +13551 C CD2 . LEU D 97 ? 0.7584 0.6765 0.7033 -0.0758 -0.0550 -0.0208 107 LEU D CD2 +13552 N N . GLY D 98 ? 0.6773 0.5758 0.6114 -0.0729 -0.0445 -0.0138 108 GLY D N +13553 C CA . GLY D 98 ? 0.6732 0.5704 0.6066 -0.0711 -0.0420 -0.0115 108 GLY D CA +13554 C C . GLY D 98 ? 0.7046 0.6021 0.6409 -0.0735 -0.0400 -0.0104 108 GLY D C +13555 O O . GLY D 98 ? 0.7090 0.6071 0.6458 -0.0720 -0.0381 -0.0085 108 GLY D O +13556 N N . GLY D 99 ? 0.7839 0.6809 0.7220 -0.0771 -0.0402 -0.0116 109 GLY D N +13557 C CA . GLY D 99 ? 0.6411 0.5381 0.5817 -0.0796 -0.0382 -0.0106 109 GLY D CA +13558 C C . GLY D 99 ? 0.6757 0.5660 0.6123 -0.0789 -0.0359 -0.0090 109 GLY D C +13559 O O . GLY D 99 ? 0.7131 0.6038 0.6513 -0.0796 -0.0338 -0.0075 109 GLY D O +13560 N N . LEU D 100 ? 0.6756 0.5597 0.6070 -0.0772 -0.0362 -0.0093 110 LEU D N +13561 C CA . LEU D 100 ? 0.6475 0.5254 0.5750 -0.0761 -0.0341 -0.0078 110 LEU D CA +13562 C C . LEU D 100 ? 0.6992 0.5793 0.6270 -0.0730 -0.0328 -0.0057 110 LEU D C +13563 O O . LEU D 100 ? 0.7168 0.5935 0.6430 -0.0725 -0.0309 -0.0042 110 LEU D O +13564 C CB . LEU D 100 ? 0.7450 0.6162 0.6669 -0.0748 -0.0348 -0.0088 110 LEU D CB +13565 C CG . LEU D 100 ? 0.7968 0.6629 0.7169 -0.0781 -0.0354 -0.0105 110 LEU D CG +13566 C CD1 . LEU D 100 ? 0.7681 0.6272 0.6823 -0.0765 -0.0359 -0.0114 110 LEU D CD1 +13567 C CD2 . LEU D 100 ? 0.7636 0.6269 0.6843 -0.0809 -0.0334 -0.0095 110 LEU D CD2 +13568 N N . TRP D 101 ? 0.7270 0.6126 0.6568 -0.0709 -0.0338 -0.0057 111 TRP D N +13569 C CA . TRP D 101 ? 0.7040 0.5916 0.6341 -0.0680 -0.0325 -0.0038 111 TRP D CA +13570 C C . TRP D 101 ? 0.6172 0.5079 0.5508 -0.0694 -0.0309 -0.0024 111 TRP D C +13571 O O . TRP D 101 ? 0.6474 0.5356 0.5797 -0.0685 -0.0291 -0.0008 111 TRP D O +13572 C CB . TRP D 101 ? 0.6592 0.5517 0.5903 -0.0655 -0.0339 -0.0040 111 TRP D CB +13573 C CG . TRP D 101 ? 0.7241 0.6176 0.6548 -0.0626 -0.0325 -0.0022 111 TRP D CG +13574 C CD1 . TRP D 101 ? 0.6402 0.5304 0.5673 -0.0598 -0.0320 -0.0016 111 TRP D CD1 +13575 C CD2 . TRP D 101 ? 0.5962 0.4941 0.5302 -0.0623 -0.0314 -0.0007 111 TRP D CD2 +13576 N NE1 . TRP D 101 ? 0.6678 0.5603 0.5960 -0.0579 -0.0308 0.0001 111 TRP D NE1 +13577 C CE2 . TRP D 101 ? 0.6998 0.5967 0.6319 -0.0593 -0.0304 0.0007 111 TRP D CE2 +13578 C CE3 . TRP D 101 ? 0.6230 0.5257 0.5615 -0.0642 -0.0312 -0.0005 111 TRP D CE3 +13579 C CZ2 . TRP D 101 ? 0.5805 0.4808 0.5148 -0.0583 -0.0293 0.0022 111 TRP D CZ2 +13580 C CZ3 . TRP D 101 ? 0.6651 0.5711 0.6056 -0.0630 -0.0300 0.0011 111 TRP D CZ3 +13581 C CH2 . TRP D 101 ? 0.6009 0.5055 0.5392 -0.0601 -0.0291 0.0024 111 TRP D CH2 +13582 N N . THR D 102 ? 0.5756 0.4717 0.5138 -0.0716 -0.0315 -0.0031 112 THR D N +13583 C CA . THR D 102 ? 0.6654 0.5642 0.6069 -0.0731 -0.0298 -0.0018 112 THR D CA +13584 C C . THR D 102 ? 0.6723 0.5655 0.6120 -0.0755 -0.0281 -0.0014 112 THR D C +13585 O O . THR D 102 ? 0.7685 0.6610 0.7083 -0.0755 -0.0261 0.0003 112 THR D O +13586 C CB . THR D 102 ? 0.7889 0.6948 0.7359 -0.0751 -0.0307 -0.0028 112 THR D CB +13587 O OG1 . THR D 102 ? 0.7491 0.6544 0.6969 -0.0780 -0.0321 -0.0048 112 THR D OG1 +13588 C CG2 . THR D 102 ? 0.5857 0.4973 0.5345 -0.0724 -0.0322 -0.0029 112 THR D CG2 +13589 N N . PHE D 103 ? 0.6801 0.5688 0.6176 -0.0775 -0.0289 -0.0028 113 PHE D N +13590 C CA . PHE D 103 ? 0.6908 0.5731 0.6258 -0.0796 -0.0273 -0.0024 113 PHE D CA +13591 C C . PHE D 103 ? 0.6206 0.4976 0.5512 -0.0769 -0.0257 -0.0006 113 PHE D C +13592 O O . PHE D 103 ? 0.6887 0.5635 0.6188 -0.0777 -0.0238 0.0008 113 PHE D O +13593 C CB . PHE D 103 ? 0.6187 0.4966 0.5514 -0.0817 -0.0286 -0.0044 113 PHE D CB +13594 C CG . PHE D 103 ? 0.7683 0.6390 0.6980 -0.0842 -0.0271 -0.0042 113 PHE D CG +13595 C CD1 . PHE D 103 ? 0.6789 0.5419 0.6029 -0.0823 -0.0265 -0.0035 113 PHE D CD1 +13596 C CD2 . PHE D 103 ? 0.7820 0.6535 0.7146 -0.0884 -0.0264 -0.0047 113 PHE D CD2 +13597 C CE1 . PHE D 103 ? 0.7474 0.6031 0.6681 -0.0845 -0.0251 -0.0033 113 PHE D CE1 +13598 C CE2 . PHE D 103 ? 0.8667 0.7309 0.7960 -0.0909 -0.0250 -0.0046 113 PHE D CE2 +13599 C CZ . PHE D 103 ? 0.7182 0.5743 0.6414 -0.0889 -0.0244 -0.0038 113 PHE D CZ +13600 N N . ILE D 104 ? 0.6674 0.5426 0.5950 -0.0737 -0.0266 -0.0007 114 ILE D N +13601 C CA . ILE D 104 ? 0.7089 0.5795 0.6326 -0.0709 -0.0253 0.0009 114 ILE D CA +13602 C C . ILE D 104 ? 0.6542 0.5289 0.5801 -0.0693 -0.0241 0.0027 114 ILE D C +13603 O O . ILE D 104 ? 0.7123 0.5838 0.6365 -0.0688 -0.0225 0.0042 114 ILE D O +13604 C CB . ILE D 104 ? 0.7807 0.6491 0.7011 -0.0678 -0.0264 0.0003 114 ILE D CB +13605 C CG1 . ILE D 104 ? 0.6896 0.5524 0.6067 -0.0692 -0.0273 -0.0014 114 ILE D CG1 +13606 C CG2 . ILE D 104 ? 0.6437 0.5092 0.5613 -0.0646 -0.0252 0.0019 114 ILE D CG2 +13607 C CD1 . ILE D 104 ? 0.6884 0.5500 0.6028 -0.0665 -0.0287 -0.0025 114 ILE D CD1 +13608 N N . ALA D 105 ? 0.6938 0.5753 0.6233 -0.0684 -0.0249 0.0026 115 ALA D N +13609 C CA . ALA D 105 ? 0.6511 0.5366 0.5826 -0.0667 -0.0240 0.0042 115 ALA D CA +13610 C C . ALA D 105 ? 0.6462 0.5326 0.5798 -0.0690 -0.0223 0.0053 115 ALA D C +13611 O O . ALA D 105 ? 0.6868 0.5722 0.6195 -0.0677 -0.0208 0.0069 115 ALA D O +13612 C CB . ALA D 105 ? 0.5392 0.4315 0.4740 -0.0654 -0.0253 0.0037 115 ALA D CB +13613 N N . LEU D 106 ? 0.6871 0.5754 0.6235 -0.0724 -0.0224 0.0042 116 LEU D N +13614 C CA . LEU D 106 ? 0.7114 0.6008 0.6500 -0.0748 -0.0206 0.0052 116 LEU D CA +13615 C C . LEU D 106 ? 0.6985 0.5805 0.6332 -0.0760 -0.0189 0.0060 116 LEU D C +13616 O O . LEU D 106 ? 0.7075 0.5885 0.6417 -0.0759 -0.0171 0.0076 116 LEU D O +13617 C CB . LEU D 106 ? 0.6634 0.5579 0.6068 -0.0781 -0.0212 0.0037 116 LEU D CB +13618 C CG . LEU D 106 ? 0.7554 0.6576 0.7028 -0.0767 -0.0229 0.0030 116 LEU D CG +13619 C CD1 . LEU D 106 ? 0.7210 0.6277 0.6729 -0.0799 -0.0239 0.0013 116 LEU D CD1 +13620 C CD2 . LEU D 106 ? 0.7139 0.6203 0.6633 -0.0749 -0.0217 0.0046 116 LEU D CD2 +13621 N N . HIS D 107 ? 0.6933 0.5696 0.6249 -0.0771 -0.0195 0.0050 117 HIS D N +13622 C CA . HIS D 107 ? 0.7086 0.5771 0.6358 -0.0780 -0.0179 0.0059 117 HIS D CA +13623 C C . HIS D 107 ? 0.6954 0.5606 0.6188 -0.0742 -0.0173 0.0075 117 HIS D C +13624 O O . HIS D 107 ? 0.7383 0.5992 0.6591 -0.0742 -0.0156 0.0089 117 HIS D O +13625 C CB . HIS D 107 ? 0.6709 0.5336 0.5952 -0.0799 -0.0187 0.0044 117 HIS D CB +13626 C CG . HIS D 107 ? 0.8160 0.6804 0.7435 -0.0844 -0.0187 0.0030 117 HIS D CG +13627 N ND1 . HIS D 107 ? 0.6878 0.5571 0.6187 -0.0855 -0.0207 0.0010 117 HIS D ND1 +13628 C CD2 . HIS D 107 ? 0.7638 0.6255 0.6914 -0.0880 -0.0171 0.0032 117 HIS D CD2 +13629 C CE1 . HIS D 107 ? 0.7653 0.6355 0.6988 -0.0897 -0.0204 0.0001 117 HIS D CE1 +13630 N NE2 . HIS D 107 ? 0.7571 0.6227 0.6887 -0.0914 -0.0181 0.0013 117 HIS D NE2 +13631 N N . GLY D 108 ? 0.7665 0.6338 0.6897 -0.0709 -0.0186 0.0072 118 GLY D N +13632 C CA . GLY D 108 ? 0.7718 0.6370 0.6921 -0.0673 -0.0182 0.0086 118 GLY D CA +13633 C C . GLY D 108 ? 0.6839 0.5524 0.6060 -0.0666 -0.0169 0.0103 118 GLY D C +13634 O O . GLY D 108 ? 0.6956 0.5603 0.6148 -0.0654 -0.0156 0.0118 118 GLY D O +13635 N N . ALA D 109 ? 0.6279 0.5036 0.5547 -0.0673 -0.0172 0.0101 119 ALA D N +13636 C CA . ALA D 109 ? 0.6416 0.5207 0.5703 -0.0668 -0.0159 0.0116 119 ALA D CA +13637 C C . ALA D 109 ? 0.7784 0.6534 0.7055 -0.0690 -0.0139 0.0127 119 ALA D C +13638 O O . ALA D 109 ? 0.7092 0.5821 0.6341 -0.0674 -0.0127 0.0143 119 ALA D O +13639 C CB . ALA D 109 ? 0.5385 0.4256 0.4725 -0.0677 -0.0165 0.0110 119 ALA D CB +13640 N N . PHE D 110 ? 0.7951 0.6689 0.7231 -0.0726 -0.0134 0.0119 120 PHE D N +13641 C CA . PHE D 110 ? 0.7969 0.6665 0.7232 -0.0749 -0.0113 0.0130 120 PHE D CA +13642 C C . PHE D 110 ? 0.7099 0.5707 0.6301 -0.0737 -0.0107 0.0138 120 PHE D C +13643 O O . PHE D 110 ? 0.7295 0.5864 0.6470 -0.0740 -0.0089 0.0153 120 PHE D O +13644 C CB . PHE D 110 ? 0.6595 0.5303 0.5886 -0.0793 -0.0109 0.0118 120 PHE D CB +13645 C CG . PHE D 110 ? 0.7628 0.6421 0.6979 -0.0806 -0.0108 0.0114 120 PHE D CG +13646 C CD1 . PHE D 110 ? 0.7935 0.6751 0.7300 -0.0811 -0.0088 0.0128 120 PHE D CD1 +13647 C CD2 . PHE D 110 ? 0.8188 0.7037 0.7579 -0.0812 -0.0127 0.0096 120 PHE D CD2 +13648 C CE1 . PHE D 110 ? 0.8584 0.7478 0.8005 -0.0821 -0.0087 0.0124 120 PHE D CE1 +13649 C CE2 . PHE D 110 ? 0.8494 0.7421 0.7940 -0.0821 -0.0127 0.0092 120 PHE D CE2 +13650 C CZ . PHE D 110 ? 0.7936 0.6887 0.7398 -0.0826 -0.0107 0.0106 120 PHE D CZ +13651 N N . GLY D 111 ? 0.7444 0.6019 0.6621 -0.0723 -0.0122 0.0128 121 GLY D N +13652 C CA . GLY D 111 ? 0.7048 0.5544 0.6167 -0.0705 -0.0118 0.0135 121 GLY D CA +13653 C C . GLY D 111 ? 0.7609 0.6104 0.6710 -0.0668 -0.0114 0.0152 121 GLY D C +13654 O O . GLY D 111 ? 0.7116 0.5552 0.6176 -0.0660 -0.0103 0.0165 121 GLY D O +13655 N N . LEU D 112 ? 0.7820 0.6379 0.6952 -0.0646 -0.0124 0.0151 122 LEU D N +13656 C CA . LEU D 112 ? 0.6109 0.4674 0.5229 -0.0612 -0.0122 0.0165 122 LEU D CA +13657 C C . LEU D 112 ? 0.7075 0.5644 0.6197 -0.0622 -0.0104 0.0181 122 LEU D C +13658 O O . LEU D 112 ? 0.6954 0.5486 0.6042 -0.0602 -0.0097 0.0195 122 LEU D O +13659 C CB . LEU D 112 ? 0.6294 0.4928 0.5449 -0.0590 -0.0136 0.0159 122 LEU D CB +13660 C CG . LEU D 112 ? 0.6771 0.5402 0.5919 -0.0571 -0.0152 0.0147 122 LEU D CG +13661 C CD1 . LEU D 112 ? 0.6049 0.4751 0.5233 -0.0555 -0.0162 0.0143 122 LEU D CD1 +13662 C CD2 . LEU D 112 ? 0.5995 0.4569 0.5097 -0.0542 -0.0153 0.0152 122 LEU D CD2 +13663 N N . ILE D 113 ? 0.6249 0.4863 0.5410 -0.0650 -0.0097 0.0178 123 ILE D N +13664 C CA . ILE D 113 ? 0.6902 0.5514 0.6062 -0.0664 -0.0077 0.0193 123 ILE D CA +13665 C C . ILE D 113 ? 0.7142 0.5668 0.6249 -0.0674 -0.0063 0.0202 123 ILE D C +13666 O O . ILE D 113 ? 0.7304 0.5799 0.6381 -0.0662 -0.0051 0.0218 123 ILE D O +13667 C CB . ILE D 113 ? 0.7868 0.6536 0.7078 -0.0699 -0.0070 0.0186 123 ILE D CB +13668 C CG1 . ILE D 113 ? 0.7514 0.6265 0.6772 -0.0686 -0.0084 0.0178 123 ILE D CG1 +13669 C CG2 . ILE D 113 ? 0.8168 0.6823 0.7372 -0.0718 -0.0046 0.0200 123 ILE D CG2 +13670 C CD1 . ILE D 113 ? 0.7814 0.6628 0.7125 -0.0714 -0.0078 0.0172 123 ILE D CD1 +13671 N N . GLY D 114 ? 0.7297 0.5780 0.6389 -0.0694 -0.0066 0.0191 124 GLY D N +13672 C CA . GLY D 114 ? 0.7209 0.5606 0.6250 -0.0707 -0.0052 0.0200 124 GLY D CA +13673 C C . GLY D 114 ? 0.7396 0.5733 0.6382 -0.0669 -0.0056 0.0209 124 GLY D C +13674 O O . GLY D 114 ? 0.7657 0.5932 0.6598 -0.0668 -0.0042 0.0224 124 GLY D O +13675 N N . PHE D 115 ? 0.7638 0.5991 0.6626 -0.0638 -0.0075 0.0202 125 PHE D N +13676 C CA . PHE D 115 ? 0.7210 0.5516 0.6153 -0.0599 -0.0080 0.0210 125 PHE D CA +13677 C C . PHE D 115 ? 0.8380 0.6702 0.7318 -0.0578 -0.0073 0.0227 125 PHE D C +13678 O O . PHE D 115 ? 0.7016 0.5282 0.5907 -0.0560 -0.0068 0.0240 125 PHE D O +13679 C CB . PHE D 115 ? 0.7239 0.5567 0.6191 -0.0571 -0.0100 0.0198 125 PHE D CB +13680 C CG . PHE D 115 ? 0.7530 0.5802 0.6435 -0.0536 -0.0105 0.0202 125 PHE D CG +13681 C CD1 . PHE D 115 ? 0.7222 0.5420 0.6084 -0.0538 -0.0106 0.0197 125 PHE D CD1 +13682 C CD2 . PHE D 115 ? 0.7461 0.5753 0.6363 -0.0499 -0.0110 0.0211 125 PHE D CD2 +13683 C CE1 . PHE D 115 ? 0.7414 0.5560 0.6232 -0.0503 -0.0111 0.0201 125 PHE D CE1 +13684 C CE2 . PHE D 115 ? 0.7578 0.5822 0.6439 -0.0465 -0.0117 0.0214 125 PHE D CE2 +13685 C CZ . PHE D 115 ? 0.7145 0.5316 0.5965 -0.0466 -0.0117 0.0209 125 PHE D CZ +13686 N N . MET D 116 ? 0.6906 0.5305 0.5891 -0.0581 -0.0073 0.0228 126 MET D N +13687 C CA . MET D 116 ? 0.8302 0.6716 0.7281 -0.0562 -0.0067 0.0242 126 MET D CA +13688 C C . MET D 116 ? 0.7998 0.6371 0.6951 -0.0584 -0.0045 0.0257 126 MET D C +13689 O O . MET D 116 ? 0.7321 0.5663 0.6239 -0.0565 -0.0039 0.0271 126 MET D O +13690 C CB . MET D 116 ? 0.6434 0.4937 0.5467 -0.0557 -0.0073 0.0239 126 MET D CB +13691 C CG . MET D 116 ? 0.7202 0.5724 0.6230 -0.0532 -0.0071 0.0252 126 MET D CG +13692 S SD . MET D 116 ? 0.8242 0.6861 0.7328 -0.0520 -0.0082 0.0245 126 MET D SD +13693 C CE . MET D 116 ? 0.7985 0.6607 0.7055 -0.0503 -0.0072 0.0262 126 MET D CE +13694 N N . LEU D 117 ? 0.6866 0.5240 0.5836 -0.0624 -0.0032 0.0252 127 LEU D N +13695 C CA . LEU D 117 ? 0.7784 0.6109 0.6723 -0.0647 -0.0009 0.0265 127 LEU D CA +13696 C C . LEU D 117 ? 0.7053 0.5280 0.5923 -0.0637 -0.0006 0.0273 127 LEU D C +13697 O O . LEU D 117 ? 0.7598 0.5776 0.6427 -0.0635 0.0009 0.0289 127 LEU D O +13698 C CB . LEU D 117 ? 0.6983 0.5328 0.5956 -0.0695 0.0003 0.0256 127 LEU D CB +13699 C CG . LEU D 117 ? 0.7536 0.5976 0.6576 -0.0707 0.0004 0.0250 127 LEU D CG +13700 C CD1 . LEU D 117 ? 0.6566 0.5033 0.5646 -0.0750 0.0009 0.0237 127 LEU D CD1 +13701 C CD2 . LEU D 117 ? 0.7158 0.5611 0.6192 -0.0702 0.0021 0.0267 127 LEU D CD2 +13702 N N . ARG D 118 ? 0.6774 0.4969 0.5631 -0.0628 -0.0021 0.0262 128 ARG D N +13703 C CA . ARG D 118 ? 0.7354 0.5455 0.6144 -0.0613 -0.0020 0.0268 128 ARG D CA +13704 C C . ARG D 118 ? 0.7952 0.6037 0.6709 -0.0569 -0.0026 0.0281 128 ARG D C +13705 O O . ARG D 118 ? 0.8173 0.6186 0.6873 -0.0561 -0.0017 0.0295 128 ARG D O +13706 C CB . ARG D 118 ? 0.7337 0.5416 0.6123 -0.0610 -0.0036 0.0252 128 ARG D CB +13707 C CG . ARG D 118 ? 0.6834 0.4817 0.5552 -0.0590 -0.0038 0.0256 128 ARG D CG +13708 C CD . ARG D 118 ? 0.7301 0.5279 0.6024 -0.0582 -0.0055 0.0238 128 ARG D CD +13709 N NE . ARG D 118 ? 0.7827 0.5713 0.6487 -0.0565 -0.0057 0.0240 128 ARG D NE +13710 C CZ . ARG D 118 ? 0.9065 0.6875 0.7687 -0.0592 -0.0046 0.0240 128 ARG D CZ +13711 N NH1 . ARG D 118 ? 0.7699 0.5513 0.6338 -0.0638 -0.0030 0.0239 128 ARG D NH1 +13712 N NH2 . ARG D 118 ? 0.7516 0.5244 0.6081 -0.0572 -0.0050 0.0239 128 ARG D NH2 +13713 N N A GLN D 119 ? 0.7947 0.6098 0.6737 -0.0541 -0.0042 0.0277 129 GLN D N +13714 N N B GLN D 119 ? 0.7965 0.6115 0.6755 -0.0541 -0.0042 0.0277 129 GLN D N +13715 C CA A GLN D 119 ? 0.7457 0.5601 0.6223 -0.0500 -0.0049 0.0288 129 GLN D CA +13716 C CA B GLN D 119 ? 0.7458 0.5603 0.6224 -0.0500 -0.0049 0.0288 129 GLN D CA +13717 C C A GLN D 119 ? 0.7618 0.5753 0.6365 -0.0505 -0.0033 0.0305 129 GLN D C +13718 C C B GLN D 119 ? 0.7623 0.5757 0.6369 -0.0506 -0.0032 0.0305 129 GLN D C +13719 O O A GLN D 119 ? 0.7550 0.5632 0.6246 -0.0481 -0.0031 0.0318 129 GLN D O +13720 O O B GLN D 119 ? 0.7565 0.5641 0.6259 -0.0484 -0.0030 0.0318 129 GLN D O +13721 C CB A GLN D 119 ? 0.7311 0.5535 0.6124 -0.0475 -0.0067 0.0279 129 GLN D CB +13722 C CB B GLN D 119 ? 0.7310 0.5535 0.6124 -0.0476 -0.0067 0.0279 129 GLN D CB +13723 C CG A GLN D 119 ? 0.6680 0.4907 0.5502 -0.0463 -0.0083 0.0263 129 GLN D CG +13724 C CG B GLN D 119 ? 0.6670 0.4898 0.5492 -0.0461 -0.0084 0.0263 129 GLN D CG +13725 C CD A GLN D 119 ? 0.7516 0.5827 0.6391 -0.0448 -0.0098 0.0253 129 GLN D CD +13726 C CD B GLN D 119 ? 0.7534 0.5846 0.6410 -0.0449 -0.0097 0.0253 129 GLN D CD +13727 O OE1 A GLN D 119 ? 0.7237 0.5609 0.6155 -0.0467 -0.0094 0.0250 129 GLN D OE1 +13728 O OE1 B GLN D 119 ? 0.7241 0.5614 0.6161 -0.0469 -0.0093 0.0251 129 GLN D OE1 +13729 N NE2 A GLN D 119 ? 0.6684 0.4996 0.5553 -0.0415 -0.0112 0.0247 129 GLN D NE2 +13730 N NE2 B GLN D 119 ? 0.6663 0.4980 0.5537 -0.0417 -0.0112 0.0246 129 GLN D NE2 +13731 N N . PHE D 120 ? 0.7111 0.5299 0.5898 -0.0534 -0.0020 0.0306 130 PHE D N +13732 C CA . PHE D 120 ? 0.6995 0.5170 0.5763 -0.0543 -0.0001 0.0322 130 PHE D CA +13733 C C . PHE D 120 ? 0.8060 0.6144 0.6770 -0.0561 0.0017 0.0332 130 PHE D C +13734 O O . PHE D 120 ? 0.7868 0.5901 0.6526 -0.0547 0.0026 0.0348 130 PHE D O +13735 C CB . PHE D 120 ? 0.7219 0.5469 0.6045 -0.0573 0.0010 0.0318 130 PHE D CB +13736 C CG . PHE D 120 ? 0.7561 0.5892 0.6430 -0.0552 -0.0002 0.0315 130 PHE D CG +13737 C CD1 . PHE D 120 ? 0.8063 0.6396 0.6912 -0.0524 -0.0003 0.0326 130 PHE D CD1 +13738 C CD2 . PHE D 120 ? 0.7239 0.5645 0.6170 -0.0561 -0.0012 0.0299 130 PHE D CD2 +13739 C CE1 . PHE D 120 ? 0.8399 0.6805 0.7287 -0.0506 -0.0013 0.0323 130 PHE D CE1 +13740 C CE2 . PHE D 120 ? 0.6713 0.5190 0.5682 -0.0543 -0.0022 0.0297 130 PHE D CE2 +13741 C CZ . PHE D 120 ? 0.7002 0.5478 0.5950 -0.0516 -0.0022 0.0309 130 PHE D CZ +13742 N N . GLU D 121 ? 0.7702 0.5760 0.6415 -0.0594 0.0024 0.0324 131 GLU D N +13743 C CA . GLU D 121 ? 0.8682 0.6654 0.7343 -0.0619 0.0044 0.0333 131 GLU D CA +13744 C C . GLU D 121 ? 0.7765 0.5647 0.6352 -0.0587 0.0038 0.0343 131 GLU D C +13745 O O . GLU D 121 ? 0.8391 0.6211 0.6923 -0.0584 0.0053 0.0360 131 GLU D O +13746 C CB . GLU D 121 ? 0.7627 0.5595 0.6312 -0.0660 0.0049 0.0319 131 GLU D CB +13747 C CG . GLU D 121 ? 0.9125 0.7003 0.7758 -0.0691 0.0071 0.0327 131 GLU D CG +13748 C CD . GLU D 121 ? 0.8790 0.6677 0.7456 -0.0739 0.0079 0.0313 131 GLU D CD +13749 O OE1 . GLU D 121 ? 0.8145 0.6071 0.6850 -0.0740 0.0061 0.0295 131 GLU D OE1 +13750 O OE2 . GLU D 121 ? 0.8548 0.6401 0.7201 -0.0777 0.0104 0.0319 131 GLU D OE2 +13751 N N . ILE D 122 ? 0.7777 0.5651 0.6361 -0.0559 0.0016 0.0332 132 ILE D N +13752 C CA . ILE D 122 ? 0.7258 0.5051 0.5775 -0.0525 0.0008 0.0340 132 ILE D CA +13753 C C . ILE D 122 ? 0.8403 0.6200 0.6896 -0.0487 0.0004 0.0354 132 ILE D C +13754 O O . ILE D 122 ? 0.8851 0.6571 0.7278 -0.0471 0.0009 0.0369 132 ILE D O +13755 C CB . ILE D 122 ? 0.7668 0.5460 0.6192 -0.0502 -0.0014 0.0325 132 ILE D CB +13756 C CG1 . ILE D 122 ? 0.7564 0.5333 0.6096 -0.0541 -0.0008 0.0312 132 ILE D CG1 +13757 C CG2 . ILE D 122 ? 0.8051 0.5771 0.6510 -0.0459 -0.0024 0.0332 132 ILE D CG2 +13758 C CD1 . ILE D 122 ? 0.8502 0.6263 0.7036 -0.0523 -0.0027 0.0296 132 ILE D CD1 +13759 N N A ALA D 123 ? 0.7894 0.5779 0.6438 -0.0472 -0.0007 0.0351 133 ALA D N +13760 N N B ALA D 123 ? 0.7909 0.5793 0.6452 -0.0472 -0.0007 0.0350 133 ALA D N +13761 C CA A ALA D 123 ? 0.7803 0.5695 0.6327 -0.0438 -0.0013 0.0362 133 ALA D CA +13762 C CA B ALA D 123 ? 0.7807 0.5699 0.6331 -0.0438 -0.0013 0.0362 133 ALA D CA +13763 C C A ALA D 123 ? 0.8043 0.5892 0.6525 -0.0453 0.0010 0.0381 133 ALA D C +13764 C C B ALA D 123 ? 0.8045 0.5893 0.6527 -0.0452 0.0010 0.0381 133 ALA D C +13765 O O A ALA D 123 ? 0.7659 0.5461 0.6088 -0.0424 0.0008 0.0394 133 ALA D O +13766 O O B ALA D 123 ? 0.7659 0.5457 0.6086 -0.0424 0.0008 0.0394 133 ALA D O +13767 C CB A ALA D 123 ? 0.6880 0.4874 0.5468 -0.0427 -0.0025 0.0355 133 ALA D CB +13768 C CB B ALA D 123 ? 0.6866 0.4860 0.5455 -0.0427 -0.0025 0.0355 133 ALA D CB +13769 N N . ARG D 124 ? 0.7672 0.5536 0.6177 -0.0496 0.0032 0.0382 134 ARG D N +13770 C CA . ARG D 124 ? 0.8387 0.6215 0.6856 -0.0513 0.0056 0.0399 134 ARG D CA +13771 C C . ARG D 124 ? 0.9517 0.7231 0.7906 -0.0517 0.0068 0.0411 134 ARG D C +13772 O O . ARG D 124 ? 0.9121 0.6783 0.7454 -0.0507 0.0080 0.0428 134 ARG D O +13773 C CB . ARG D 124 ? 0.8453 0.6335 0.6974 -0.0559 0.0077 0.0395 134 ARG D CB +13774 C CG . ARG D 124 ? 0.7404 0.5258 0.5895 -0.0582 0.0107 0.0411 134 ARG D CG +13775 C CD . ARG D 124 ? 0.8341 0.6220 0.6821 -0.0553 0.0104 0.0422 134 ARG D CD +13776 N NE . ARG D 124 ? 0.7561 0.5365 0.5967 -0.0515 0.0095 0.0435 134 ARG D NE +13777 C CZ . ARG D 124 ? 0.8900 0.6704 0.7278 -0.0487 0.0092 0.0447 134 ARG D CZ +13778 N NH1 . ARG D 124 ? 0.8449 0.6324 0.6866 -0.0490 0.0097 0.0447 134 ARG D NH1 +13779 N NH2 . ARG D 124 ? 0.8735 0.6463 0.7042 -0.0453 0.0083 0.0458 134 ARG D NH2 +13780 N N . LEU D 125 ? 0.8670 0.6341 0.7049 -0.0528 0.0065 0.0402 135 LEU D N +13781 C CA . LEU D 125 ? 1.0076 0.7632 0.8377 -0.0531 0.0076 0.0412 135 LEU D CA +13782 C C . LEU D 125 ? 0.9301 0.6802 0.7542 -0.0479 0.0057 0.0420 135 LEU D C +13783 O O . LEU D 125 ? 1.0156 0.7573 0.8324 -0.0469 0.0067 0.0436 135 LEU D O +13784 C CB . LEU D 125 ? 0.8537 0.6066 0.6847 -0.0559 0.0076 0.0398 135 LEU D CB +13785 C CG . LEU D 125 ? 0.9488 0.7067 0.7856 -0.0613 0.0093 0.0388 135 LEU D CG +13786 C CD1 . LEU D 125 ? 0.8421 0.5981 0.6802 -0.0636 0.0088 0.0372 135 LEU D CD1 +13787 C CD2 . LEU D 125 ? 0.9049 0.6587 0.7386 -0.0647 0.0126 0.0404 135 LEU D CD2 +13788 N N A VAL D 126 ? 0.9223 0.6771 0.7494 -0.0443 0.0030 0.0408 136 VAL D N +13789 N N B VAL D 126 ? 0.9228 0.6776 0.7499 -0.0443 0.0030 0.0408 136 VAL D N +13790 C CA A VAL D 126 ? 0.9072 0.6576 0.7295 -0.0391 0.0010 0.0413 136 VAL D CA +13791 C CA B VAL D 126 ? 0.9058 0.6561 0.7280 -0.0392 0.0010 0.0413 136 VAL D CA +13792 C C A VAL D 126 ? 0.9324 0.6851 0.7534 -0.0362 0.0004 0.0425 136 VAL D C +13793 C C B VAL D 126 ? 0.9318 0.6842 0.7526 -0.0363 0.0005 0.0425 136 VAL D C +13794 O O A VAL D 126 ? 1.0111 0.7585 0.8265 -0.0323 -0.0007 0.0433 136 VAL D O +13795 O O B VAL D 126 ? 1.0150 0.7618 0.8300 -0.0325 -0.0005 0.0435 136 VAL D O +13796 C CB A VAL D 126 ? 0.9659 0.7209 0.7925 -0.0369 -0.0015 0.0393 136 VAL D CB +13797 C CB B VAL D 126 ? 0.9673 0.7223 0.7938 -0.0369 -0.0015 0.0394 136 VAL D CB +13798 C CG1 A VAL D 126 ? 1.1096 0.8653 0.9347 -0.0314 -0.0040 0.0394 136 VAL D CG1 +13799 C CG1 B VAL D 126 ? 1.1177 0.8724 0.9421 -0.0313 -0.0039 0.0395 136 VAL D CG1 +13800 C CG2 A VAL D 126 ? 0.9253 0.6737 0.7493 -0.0384 -0.0013 0.0386 136 VAL D CG2 +13801 C CG2 B VAL D 126 ? 0.9236 0.6728 0.7483 -0.0386 -0.0013 0.0385 136 VAL D CG2 +13802 N N A GLY D 127 ? 0.8409 0.6011 0.6668 -0.0379 0.0013 0.0425 137 GLY D N +13803 N N B GLY D 127 ? 0.8391 0.5993 0.6649 -0.0380 0.0013 0.0425 137 GLY D N +13804 C CA A GLY D 127 ? 0.9354 0.6981 0.7602 -0.0353 0.0008 0.0436 137 GLY D CA +13805 C CA B GLY D 127 ? 0.9363 0.6988 0.7610 -0.0354 0.0008 0.0436 137 GLY D CA +13806 C C A GLY D 127 ? 0.9596 0.7297 0.7887 -0.0316 -0.0020 0.0425 137 GLY D C +13807 C C B GLY D 127 ? 0.9628 0.7327 0.7918 -0.0316 -0.0020 0.0425 137 GLY D C +13808 O O A GLY D 127 ? 0.8122 0.5817 0.6384 -0.0281 -0.0031 0.0433 137 GLY D O +13809 O O B GLY D 127 ? 0.8112 0.5803 0.6372 -0.0281 -0.0031 0.0433 137 GLY D O +13810 N N A VAL D 128 ? 0.8516 0.6286 0.6873 -0.0321 -0.0031 0.0408 138 VAL D N +13811 N N B VAL D 128 ? 0.8514 0.6285 0.6872 -0.0322 -0.0031 0.0408 138 VAL D N +13812 C CA A VAL D 128 ? 0.8837 0.6683 0.7240 -0.0289 -0.0055 0.0397 138 VAL D CA +13813 C CA B VAL D 128 ? 0.8850 0.6696 0.7253 -0.0290 -0.0055 0.0397 138 VAL D CA +13814 C C A VAL D 128 ? 0.8391 0.6330 0.6861 -0.0312 -0.0050 0.0392 138 VAL D C +13815 C C B VAL D 128 ? 0.8403 0.6342 0.6873 -0.0312 -0.0050 0.0391 138 VAL D C +13816 O O A VAL D 128 ? 0.7829 0.5782 0.6321 -0.0352 -0.0030 0.0392 138 VAL D O +13817 O O B VAL D 128 ? 0.7823 0.5777 0.6316 -0.0352 -0.0030 0.0391 138 VAL D O +13818 C CB A VAL D 128 ? 0.8577 0.6433 0.7000 -0.0271 -0.0074 0.0381 138 VAL D CB +13819 C CB B VAL D 128 ? 0.8591 0.6444 0.7013 -0.0272 -0.0074 0.0382 138 VAL D CB +13820 C CG1 A VAL D 128 ? 0.8637 0.6406 0.6993 -0.0239 -0.0083 0.0387 138 VAL D CG1 +13821 C CG1 B VAL D 128 ? 0.8613 0.6374 0.6964 -0.0243 -0.0081 0.0388 138 VAL D CG1 +13822 C CG2 A VAL D 128 ? 0.7553 0.5425 0.6014 -0.0309 -0.0065 0.0369 138 VAL D CG2 +13823 C CG2 B VAL D 128 ? 0.7541 0.5415 0.6004 -0.0310 -0.0065 0.0369 138 VAL D CG2 +13824 N N A ARG D 129 ? 0.8387 0.6390 0.6889 -0.0285 -0.0067 0.0387 139 ARG D N +13825 N N B ARG D 129 ? 0.8389 0.6393 0.6893 -0.0286 -0.0067 0.0386 139 ARG D N +13826 C CA A ARG D 129 ? 0.8438 0.6529 0.7004 -0.0302 -0.0064 0.0380 139 ARG D CA +13827 C CA B ARG D 129 ? 0.8440 0.6532 0.7007 -0.0302 -0.0065 0.0380 139 ARG D CA +13828 C C A ARG D 129 ? 0.7684 0.5824 0.6308 -0.0321 -0.0068 0.0363 139 ARG D C +13829 C C B ARG D 129 ? 0.7671 0.5812 0.6297 -0.0322 -0.0068 0.0363 139 ARG D C +13830 O O A ARG D 129 ? 0.7594 0.5719 0.6217 -0.0307 -0.0081 0.0354 139 ARG D O +13831 O O B ARG D 129 ? 0.7585 0.5711 0.6210 -0.0309 -0.0081 0.0353 139 ARG D O +13832 C CB A ARG D 129 ? 0.8353 0.6493 0.6934 -0.0269 -0.0082 0.0379 139 ARG D CB +13833 C CB B ARG D 129 ? 0.8342 0.6484 0.6925 -0.0268 -0.0083 0.0378 139 ARG D CB +13834 C CG A ARG D 129 ? 0.8979 0.7062 0.7495 -0.0241 -0.0086 0.0393 139 ARG D CG +13835 C CG B ARG D 129 ? 0.8987 0.7076 0.7507 -0.0242 -0.0085 0.0393 139 ARG D CG +13836 C CD A ARG D 129 ? 0.9287 0.7407 0.7813 -0.0200 -0.0111 0.0388 139 ARG D CD +13837 C CD B ARG D 129 ? 0.9298 0.7422 0.7827 -0.0201 -0.0111 0.0388 139 ARG D CD +13838 N NE A ARG D 129 ? 0.9133 0.7315 0.7689 -0.0201 -0.0111 0.0389 139 ARG D NE +13839 N NE B ARG D 129 ? 0.9111 0.7301 0.7674 -0.0202 -0.0112 0.0387 139 ARG D NE +13840 C CZ A ARG D 129 ? 0.9012 0.7258 0.7609 -0.0182 -0.0129 0.0379 139 ARG D CZ +13841 C CZ B ARG D 129 ? 0.9017 0.7270 0.7620 -0.0181 -0.0131 0.0377 139 ARG D CZ +13842 N NH1 A ARG D 129 ? 0.8849 0.7116 0.7470 -0.0161 -0.0148 0.0366 139 ARG D NH1 +13843 N NH1 B ARG D 129 ? 0.8837 0.7104 0.7458 -0.0159 -0.0150 0.0365 139 ARG D NH1 +13844 N NH2 A ARG D 129 ? 0.9776 0.8067 0.8391 -0.0183 -0.0128 0.0381 139 ARG D NH2 +13845 N NH2 B ARG D 129 ? 0.9935 0.8238 0.8560 -0.0182 -0.0131 0.0378 139 ARG D NH2 +13846 N N A PRO D 130 ? 0.8071 0.6268 0.6744 -0.0352 -0.0057 0.0359 140 PRO D N +13847 N N B PRO D 130 ? 0.8084 0.6281 0.6758 -0.0353 -0.0057 0.0359 140 PRO D N +13848 C CA A PRO D 130 ? 0.8253 0.6487 0.6974 -0.0374 -0.0059 0.0343 140 PRO D CA +13849 C CA B PRO D 130 ? 0.8266 0.6500 0.6988 -0.0376 -0.0058 0.0344 140 PRO D CA +13850 C C A PRO D 130 ? 0.8226 0.6535 0.7000 -0.0357 -0.0078 0.0329 140 PRO D C +13851 C C B PRO D 130 ? 0.8258 0.6566 0.7032 -0.0359 -0.0077 0.0329 140 PRO D C +13852 O O A PRO D 130 ? 0.7296 0.5660 0.6121 -0.0378 -0.0077 0.0319 140 PRO D O +13853 O O B PRO D 130 ? 0.7283 0.5646 0.6108 -0.0380 -0.0076 0.0319 140 PRO D O +13854 C CB A PRO D 130 ? 0.7426 0.5683 0.6171 -0.0415 -0.0038 0.0346 140 PRO D CB +13855 C CB B PRO D 130 ? 0.7416 0.5678 0.6164 -0.0416 -0.0037 0.0346 140 PRO D CB +13856 C CG A PRO D 130 ? 0.7647 0.5929 0.6389 -0.0406 -0.0032 0.0357 140 PRO D CG +13857 C CG B PRO D 130 ? 0.7647 0.5929 0.6388 -0.0405 -0.0032 0.0357 140 PRO D CG +13858 C CD A PRO D 130 ? 0.7743 0.5968 0.6425 -0.0370 -0.0041 0.0367 140 PRO D CD +13859 C CD B PRO D 130 ? 0.7743 0.5963 0.6422 -0.0371 -0.0040 0.0368 140 PRO D CD +13860 N N A TYR D 131 ? 0.7543 0.5854 0.6307 -0.0319 -0.0096 0.0328 141 TYR D N +13861 N N B TYR D 131 ? 0.7565 0.5873 0.6328 -0.0321 -0.0095 0.0328 141 TYR D N +13862 C CA A TYR D 131 ? 0.7444 0.5825 0.6257 -0.0304 -0.0113 0.0315 141 TYR D CA +13863 C CA B TYR D 131 ? 0.7447 0.5825 0.6259 -0.0305 -0.0112 0.0316 141 TYR D CA +13864 C C A TYR D 131 ? 0.7378 0.5769 0.6216 -0.0311 -0.0119 0.0300 141 TYR D C +13865 C C B TYR D 131 ? 0.7390 0.5779 0.6227 -0.0311 -0.0119 0.0301 141 TYR D C +13866 O O A TYR D 131 ? 0.7034 0.5487 0.5919 -0.0311 -0.0127 0.0289 141 TYR D O +13867 O O B TYR D 131 ? 0.7036 0.5487 0.5920 -0.0312 -0.0126 0.0290 141 TYR D O +13868 C CB A TYR D 131 ? 0.6748 0.5130 0.5546 -0.0263 -0.0129 0.0317 141 TYR D CB +13869 C CB B TYR D 131 ? 0.6731 0.5109 0.5526 -0.0264 -0.0128 0.0318 141 TYR D CB +13870 C CG A TYR D 131 ? 0.7904 0.6305 0.6696 -0.0257 -0.0127 0.0327 141 TYR D CG +13871 C CG B TYR D 131 ? 0.7907 0.6305 0.6697 -0.0258 -0.0126 0.0327 141 TYR D CG +13872 C CD1 A TYR D 131 ? 0.8129 0.6472 0.6869 -0.0257 -0.0116 0.0342 141 TYR D CD1 +13873 C CD1 B TYR D 131 ? 0.8140 0.6482 0.6878 -0.0257 -0.0116 0.0343 141 TYR D CD1 +13874 C CD2 A TYR D 131 ? 0.8566 0.7039 0.7403 -0.0254 -0.0133 0.0321 141 TYR D CD2 +13875 C CD2 B TYR D 131 ? 0.8585 0.7055 0.7420 -0.0253 -0.0133 0.0322 141 TYR D CD2 +13876 C CE1 A TYR D 131 ? 0.8777 0.7133 0.7507 -0.0252 -0.0113 0.0351 141 TYR D CE1 +13877 C CE1 B TYR D 131 ? 0.8796 0.7154 0.7526 -0.0251 -0.0113 0.0352 141 TYR D CE1 +13878 C CE2 A TYR D 131 ? 0.8478 0.6965 0.7307 -0.0249 -0.0130 0.0330 141 TYR D CE2 +13879 C CE2 B TYR D 131 ? 0.8484 0.6971 0.7313 -0.0248 -0.0130 0.0330 141 TYR D CE2 +13880 C CZ A TYR D 131 ? 0.9132 0.7561 0.7907 -0.0248 -0.0120 0.0345 141 TYR D CZ +13881 C CZ B TYR D 131 ? 0.9156 0.7586 0.7931 -0.0246 -0.0121 0.0345 141 TYR D CZ +13882 O OH A TYR D 131 ? 0.8800 0.7238 0.7562 -0.0242 -0.0116 0.0354 141 TYR D OH +13883 O OH B TYR D 131 ? 0.8799 0.7241 0.7563 -0.0240 -0.0118 0.0353 141 TYR D OH +13884 N N A ASN D 132 ? 0.7064 0.5391 0.5868 -0.0316 -0.0116 0.0300 142 ASN D N +13885 N N B ASN D 132 ? 0.7061 0.5386 0.5864 -0.0316 -0.0116 0.0300 142 ASN D N +13886 C CA A ASN D 132 ? 0.7377 0.5710 0.6201 -0.0324 -0.0121 0.0285 142 ASN D CA +13887 C CA B ASN D 132 ? 0.7392 0.5724 0.6216 -0.0325 -0.0121 0.0285 142 ASN D CA +13888 C C A ASN D 132 ? 0.6791 0.5167 0.5658 -0.0361 -0.0112 0.0279 142 ASN D C +13889 C C B ASN D 132 ? 0.6786 0.5162 0.5653 -0.0362 -0.0112 0.0279 142 ASN D C +13890 O O A ASN D 132 ? 0.6895 0.5317 0.5801 -0.0364 -0.0120 0.0266 142 ASN D O +13891 O O B ASN D 132 ? 0.6895 0.5317 0.5801 -0.0365 -0.0120 0.0265 142 ASN D O +13892 C CB A ASN D 132 ? 0.6993 0.5244 0.5768 -0.0322 -0.0119 0.0286 142 ASN D CB +13893 C CB B ASN D 132 ? 0.6980 0.5230 0.5755 -0.0324 -0.0119 0.0286 142 ASN D CB +13894 C CG A ASN D 132 ? 0.8033 0.6286 0.6824 -0.0324 -0.0127 0.0270 142 ASN D CG +13895 C CG B ASN D 132 ? 0.8045 0.6299 0.6837 -0.0327 -0.0126 0.0270 142 ASN D CG +13896 O OD1 A ASN D 132 ? 0.8101 0.6398 0.6920 -0.0304 -0.0140 0.0260 142 ASN D OD1 +13897 O OD1 B ASN D 132 ? 0.8126 0.6424 0.6947 -0.0306 -0.0139 0.0260 142 ASN D OD1 +13898 N ND2 A ASN D 132 ? 0.7493 0.5701 0.6267 -0.0351 -0.0118 0.0268 142 ASN D ND2 +13899 N ND2 B ASN D 132 ? 0.7484 0.5694 0.6260 -0.0354 -0.0117 0.0267 142 ASN D ND2 +13900 N N A ALA D 133 ? 0.6846 0.5209 0.5706 -0.0390 -0.0095 0.0288 143 ALA D N +13901 N N B ALA D 133 ? 0.6842 0.5205 0.5702 -0.0390 -0.0095 0.0288 143 ALA D N +13902 C CA A ALA D 133 ? 0.7310 0.5720 0.6214 -0.0424 -0.0087 0.0281 143 ALA D CA +13903 C CA B ALA D 133 ? 0.7314 0.5726 0.6220 -0.0425 -0.0087 0.0281 143 ALA D CA +13904 C C A ALA D 133 ? 0.7374 0.5866 0.6327 -0.0416 -0.0095 0.0277 143 ALA D C +13905 C C B ALA D 133 ? 0.7391 0.5883 0.6344 -0.0417 -0.0094 0.0277 143 ALA D C +13906 O O A ALA D 133 ? 0.7389 0.5931 0.6385 -0.0429 -0.0099 0.0265 143 ALA D O +13907 O O B ALA D 133 ? 0.7408 0.5951 0.6405 -0.0431 -0.0098 0.0266 143 ALA D O +13908 C CB A ALA D 133 ? 0.6329 0.4713 0.5218 -0.0455 -0.0066 0.0292 143 ALA D CB +13909 C CB B ALA D 133 ? 0.6307 0.4690 0.5197 -0.0456 -0.0066 0.0292 143 ALA D CB +13910 N N A ILE D 134 ? 0.7195 0.5699 0.6140 -0.0395 -0.0096 0.0286 144 ILE D N +13911 N N B ILE D 134 ? 0.7198 0.5702 0.6143 -0.0395 -0.0096 0.0286 144 ILE D N +13912 C CA A ILE D 134 ? 0.7179 0.5756 0.6166 -0.0387 -0.0102 0.0283 144 ILE D CA +13913 C CA B ILE D 134 ? 0.7178 0.5755 0.6165 -0.0387 -0.0102 0.0283 144 ILE D CA +13914 C C A ILE D 134 ? 0.7037 0.5649 0.6051 -0.0369 -0.0119 0.0270 144 ILE D C +13915 C C B ILE D 134 ? 0.7049 0.5662 0.6064 -0.0371 -0.0119 0.0270 144 ILE D C +13916 O O A ILE D 134 ? 0.6843 0.5513 0.5899 -0.0377 -0.0123 0.0261 144 ILE D O +13917 O O B ILE D 134 ? 0.6838 0.5510 0.5896 -0.0379 -0.0122 0.0261 144 ILE D O +13918 C CB A ILE D 134 ? 0.7523 0.6096 0.6487 -0.0366 -0.0102 0.0295 144 ILE D CB +13919 C CB B ILE D 134 ? 0.7530 0.6105 0.6496 -0.0366 -0.0102 0.0295 144 ILE D CB +13920 C CG1 A ILE D 134 ? 0.7973 0.6523 0.6918 -0.0387 -0.0082 0.0308 144 ILE D CG1 +13921 C CG1 B ILE D 134 ? 0.7991 0.6545 0.6938 -0.0386 -0.0082 0.0308 144 ILE D CG1 +13922 C CG2 A ILE D 134 ? 0.7014 0.5654 0.6015 -0.0350 -0.0112 0.0291 144 ILE D CG2 +13923 C CG2 B ILE D 134 ? 0.7015 0.5656 0.6017 -0.0350 -0.0113 0.0290 144 ILE D CG2 +13924 C CD1 A ILE D 134 ? 0.7899 0.6427 0.6808 -0.0367 -0.0080 0.0321 144 ILE D CD1 +13925 C CD1 B ILE D 134 ? 0.7848 0.6387 0.6763 -0.0364 -0.0082 0.0320 144 ILE D CD1 +13926 N N A ALA D 135 ? 0.6588 0.5166 0.5577 -0.0345 -0.0130 0.0267 145 ALA D N +13927 N N B ALA D 135 ? 0.6573 0.5152 0.5563 -0.0347 -0.0129 0.0267 145 ALA D N +13928 C CA A ALA D 135 ? 0.6841 0.5450 0.5854 -0.0329 -0.0144 0.0254 145 ALA D CA +13929 C CA B ALA D 135 ? 0.6840 0.5449 0.5853 -0.0330 -0.0143 0.0254 145 ALA D CA +13930 C C A ALA D 135 ? 0.7411 0.6032 0.6447 -0.0352 -0.0143 0.0242 145 ALA D C +13931 C C B ALA D 135 ? 0.7444 0.6064 0.6480 -0.0353 -0.0143 0.0242 145 ALA D C +13932 O O A ALA D 135 ? 0.6836 0.5503 0.5904 -0.0348 -0.0152 0.0231 145 ALA D O +13933 O O B ALA D 135 ? 0.6846 0.5511 0.5913 -0.0349 -0.0151 0.0231 145 ALA D O +13934 C CB A ALA D 135 ? 0.6483 0.5048 0.5462 -0.0299 -0.0153 0.0253 145 ALA D CB +13935 C CB B ALA D 135 ? 0.6477 0.5042 0.5457 -0.0301 -0.0152 0.0254 145 ALA D CB +13936 N N A PHE D 136 ? 0.6922 0.5503 0.5941 -0.0378 -0.0133 0.0243 146 PHE D N +13937 N N B PHE D 136 ? 0.6920 0.5499 0.5938 -0.0378 -0.0133 0.0243 146 PHE D N +13938 C CA A PHE D 136 ? 0.7005 0.5593 0.6043 -0.0400 -0.0134 0.0231 146 PHE D CA +13939 C CA B PHE D 136 ? 0.7015 0.5601 0.6052 -0.0402 -0.0134 0.0231 146 PHE D CA +13940 C C A PHE D 136 ? 0.7016 0.5667 0.6100 -0.0422 -0.0132 0.0227 146 PHE D C +13941 C C B PHE D 136 ? 0.7024 0.5675 0.6108 -0.0423 -0.0132 0.0227 146 PHE D C +13942 O O A PHE D 136 ? 0.6858 0.5528 0.5964 -0.0438 -0.0136 0.0215 146 PHE D O +13943 O O B PHE D 136 ? 0.6859 0.5529 0.5965 -0.0439 -0.0135 0.0215 146 PHE D O +13944 C CB A PHE D 136 ? 0.7345 0.5866 0.6349 -0.0421 -0.0125 0.0233 146 PHE D CB +13945 C CB B PHE D 136 ? 0.7350 0.5872 0.6355 -0.0424 -0.0124 0.0233 146 PHE D CB +13946 C CG A PHE D 136 ? 0.6877 0.5391 0.5890 -0.0440 -0.0128 0.0219 146 PHE D CG +13947 C CG B PHE D 136 ? 0.6871 0.5385 0.5885 -0.0442 -0.0128 0.0219 146 PHE D CG +13948 C CD1 A PHE D 136 ? 0.6808 0.5305 0.5810 -0.0422 -0.0140 0.0209 146 PHE D CD1 +13949 C CD1 B PHE D 136 ? 0.6805 0.5302 0.5807 -0.0422 -0.0139 0.0209 146 PHE D CD1 +13950 C CD2 A PHE D 136 ? 0.6753 0.5281 0.5787 -0.0477 -0.0121 0.0215 146 PHE D CD2 +13951 C CD2 B PHE D 136 ? 0.6752 0.5279 0.5786 -0.0478 -0.0121 0.0215 146 PHE D CD2 +13952 C CE1 A PHE D 136 ? 0.7240 0.5729 0.6248 -0.0438 -0.0144 0.0195 146 PHE D CE1 +13953 C CE1 B PHE D 136 ? 0.7247 0.5735 0.6254 -0.0438 -0.0144 0.0195 146 PHE D CE1 +13954 C CE2 A PHE D 136 ? 0.6854 0.5377 0.5897 -0.0494 -0.0126 0.0201 146 PHE D CE2 +13955 C CE2 B PHE D 136 ? 0.6859 0.5380 0.5902 -0.0495 -0.0126 0.0200 146 PHE D CE2 +13956 C CZ A PHE D 136 ? 0.6949 0.5450 0.5977 -0.0475 -0.0137 0.0191 146 PHE D CZ +13957 C CZ B PHE D 136 ? 0.6949 0.5448 0.5975 -0.0475 -0.0138 0.0191 146 PHE D CZ +13958 N N . SER D 137 ? 0.6549 0.5235 0.5648 -0.0421 -0.0126 0.0235 147 SER D N +13959 C CA . SER D 137 ? 0.6518 0.5268 0.5662 -0.0436 -0.0126 0.0231 147 SER D CA +13960 C C . SER D 137 ? 0.7487 0.6281 0.6658 -0.0422 -0.0140 0.0219 147 SER D C +13961 O O . SER D 137 ? 0.6573 0.5411 0.5778 -0.0436 -0.0143 0.0211 147 SER D O +13962 C CB . SER D 137 ? 0.6640 0.5417 0.5791 -0.0434 -0.0118 0.0242 147 SER D CB +13963 O OG . SER D 137 ? 0.6518 0.5305 0.5662 -0.0403 -0.0126 0.0245 147 SER D OG +13964 N N A ALA D 138 ? 0.6161 0.4942 0.5316 -0.0394 -0.0149 0.0218 148 ALA D N +13965 N N B ALA D 138 ? 0.6154 0.4936 0.5310 -0.0394 -0.0149 0.0217 148 ALA D N +13966 C CA A ALA D 138 ? 0.6304 0.5126 0.5484 -0.0382 -0.0160 0.0207 148 ALA D CA +13967 C CA B ALA D 138 ? 0.6310 0.5133 0.5490 -0.0382 -0.0160 0.0207 148 ALA D CA +13968 C C A ALA D 138 ? 0.6577 0.5393 0.5763 -0.0394 -0.0165 0.0194 148 ALA D C +13969 C C B ALA D 138 ? 0.6588 0.5403 0.5773 -0.0394 -0.0165 0.0194 148 ALA D C +13970 O O A ALA D 138 ? 0.6271 0.5130 0.5486 -0.0404 -0.0169 0.0186 148 ALA D O +13971 O O B ALA D 138 ? 0.6286 0.5144 0.5500 -0.0401 -0.0170 0.0186 148 ALA D O +13972 C CB A ALA D 138 ? 0.5514 0.4330 0.4681 -0.0350 -0.0167 0.0209 148 ALA D CB +13973 C CB B ALA D 138 ? 0.5495 0.4314 0.4663 -0.0350 -0.0167 0.0208 148 ALA D CB +13974 N N A PRO D 139 ? 0.6907 0.5670 0.6064 -0.0395 -0.0165 0.0191 149 PRO D N +13975 N N B PRO D 139 ? 0.6924 0.5686 0.6080 -0.0395 -0.0165 0.0191 149 PRO D N +13976 C CA A PRO D 139 ? 0.7009 0.5765 0.6170 -0.0411 -0.0170 0.0178 149 PRO D CA +13977 C CA B PRO D 139 ? 0.7028 0.5783 0.6188 -0.0411 -0.0170 0.0178 149 PRO D CA +13978 C C A PRO D 139 ? 0.5936 0.4718 0.5122 -0.0442 -0.0166 0.0175 149 PRO D C +13979 C C B PRO D 139 ? 0.5923 0.4705 0.5109 -0.0442 -0.0166 0.0175 149 PRO D C +13980 O O A PRO D 139 ? 0.6415 0.5222 0.5621 -0.0452 -0.0173 0.0163 149 PRO D O +13981 O O B PRO D 139 ? 0.6419 0.5225 0.5624 -0.0452 -0.0174 0.0163 149 PRO D O +13982 C CB A PRO D 139 ? 0.6896 0.5582 0.6016 -0.0410 -0.0167 0.0178 149 PRO D CB +13983 C CB B PRO D 139 ? 0.6900 0.5585 0.6019 -0.0410 -0.0167 0.0179 149 PRO D CB +13984 C CG A PRO D 139 ? 0.6678 0.5342 0.5775 -0.0382 -0.0166 0.0188 149 PRO D CG +13985 C CG B PRO D 139 ? 0.6681 0.5345 0.5777 -0.0382 -0.0166 0.0188 149 PRO D CG +13986 C CD A PRO D 139 ? 0.6606 0.5311 0.5722 -0.0380 -0.0163 0.0198 149 PRO D CD +13987 C CD B PRO D 139 ? 0.6610 0.5314 0.5725 -0.0381 -0.0162 0.0198 149 PRO D CD +13988 N N . ILE D 140 ? 0.6894 0.5673 0.6081 -0.0459 -0.0155 0.0185 150 ILE D N +13989 C CA . ILE D 140 ? 0.7156 0.5964 0.6371 -0.0489 -0.0151 0.0181 150 ILE D CA +13990 C C . ILE D 140 ? 0.7054 0.5930 0.6309 -0.0484 -0.0158 0.0177 150 ILE D C +13991 O O . ILE D 140 ? 0.6588 0.5495 0.5868 -0.0499 -0.0164 0.0167 150 ILE D O +13992 C CB . ILE D 140 ? 0.8709 0.7496 0.7916 -0.0508 -0.0136 0.0192 150 ILE D CB +13993 C CG1 . ILE D 140 ? 0.8245 0.6963 0.7417 -0.0522 -0.0130 0.0192 150 ILE D CG1 +13994 C CG2 . ILE D 140 ? 0.7049 0.5886 0.6296 -0.0533 -0.0131 0.0190 150 ILE D CG2 +13995 C CD1 . ILE D 140 ? 0.7808 0.6500 0.6968 -0.0545 -0.0113 0.0202 150 ILE D CD1 +13996 N N . ALA D 141 ? 0.6397 0.5297 0.5656 -0.0463 -0.0157 0.0185 151 ALA D N +13997 C CA . ALA D 141 ? 0.6806 0.5765 0.6097 -0.0457 -0.0163 0.0182 151 ALA D CA +13998 C C . ALA D 141 ? 0.5653 0.4628 0.4952 -0.0449 -0.0176 0.0170 151 ALA D C +13999 O O . ALA D 141 ? 0.6812 0.5829 0.6139 -0.0457 -0.0181 0.0163 151 ALA D O +14000 C CB . ALA D 141 ? 0.6355 0.5328 0.5644 -0.0436 -0.0160 0.0193 151 ALA D CB +14001 N N . VAL D 142 ? 0.6252 0.5194 0.5527 -0.0433 -0.0180 0.0166 152 VAL D N +14002 C CA . VAL D 142 ? 0.5700 0.4651 0.4978 -0.0427 -0.0191 0.0154 152 VAL D CA +14003 C C . VAL D 142 ? 0.6486 0.5433 0.5770 -0.0451 -0.0195 0.0143 152 VAL D C +14004 O O . VAL D 142 ? 0.6820 0.5800 0.6123 -0.0454 -0.0204 0.0134 152 VAL D O +14005 C CB . VAL D 142 ? 0.6222 0.5136 0.5472 -0.0405 -0.0193 0.0152 152 VAL D CB +14006 C CG1 . VAL D 142 ? 0.5913 0.4829 0.5162 -0.0401 -0.0202 0.0138 152 VAL D CG1 +14007 C CG2 . VAL D 142 ? 0.6429 0.5359 0.5680 -0.0381 -0.0192 0.0160 152 VAL D CG2 +14008 N N . PHE D 143 ? 0.6423 0.5329 0.5692 -0.0468 -0.0190 0.0143 153 PHE D N +14009 C CA . PHE D 143 ? 0.7116 0.6016 0.6390 -0.0491 -0.0196 0.0131 153 PHE D CA +14010 C C . PHE D 143 ? 0.6187 0.5139 0.5498 -0.0510 -0.0198 0.0128 153 PHE D C +14011 O O . PHE D 143 ? 0.6687 0.5662 0.6013 -0.0517 -0.0209 0.0116 153 PHE D O +14012 C CB . PHE D 143 ? 0.6399 0.5243 0.5648 -0.0509 -0.0188 0.0132 153 PHE D CB +14013 C CG . PHE D 143 ? 0.7111 0.5950 0.6367 -0.0535 -0.0194 0.0119 153 PHE D CG +14014 C CD1 . PHE D 143 ? 0.5743 0.4559 0.4982 -0.0531 -0.0205 0.0106 153 PHE D CD1 +14015 C CD2 . PHE D 143 ? 0.6788 0.5651 0.6072 -0.0564 -0.0190 0.0118 153 PHE D CD2 +14016 C CE1 . PHE D 143 ? 0.7263 0.6077 0.6509 -0.0555 -0.0213 0.0092 153 PHE D CE1 +14017 C CE2 . PHE D 143 ? 0.7621 0.6484 0.6914 -0.0589 -0.0197 0.0104 153 PHE D CE2 +14018 C CZ . PHE D 143 ? 0.7103 0.5941 0.6377 -0.0585 -0.0209 0.0091 153 PHE D CZ +14019 N N . VAL D 144 ? 0.6550 0.5523 0.5877 -0.0516 -0.0188 0.0139 154 VAL D N +14020 C CA . VAL D 144 ? 0.6805 0.5828 0.6169 -0.0533 -0.0187 0.0136 154 VAL D CA +14021 C C . VAL D 144 ? 0.7356 0.6429 0.6741 -0.0517 -0.0198 0.0132 154 VAL D C +14022 O O . VAL D 144 ? 0.6893 0.6004 0.6305 -0.0528 -0.0206 0.0123 154 VAL D O +14023 C CB . VAL D 144 ? 0.6627 0.5653 0.5997 -0.0542 -0.0171 0.0149 154 VAL D CB +14024 C CG1 . VAL D 144 ? 0.7804 0.6891 0.7214 -0.0548 -0.0170 0.0150 154 VAL D CG1 +14025 C CG2 . VAL D 144 ? 0.6031 0.5013 0.5387 -0.0567 -0.0161 0.0150 154 VAL D CG2 +14026 N N . SER D 145 ? 0.6126 0.5202 0.5501 -0.0491 -0.0198 0.0139 155 SER D N +14027 C CA . SER D 145 ? 0.6777 0.5897 0.6170 -0.0476 -0.0206 0.0136 155 SER D CA +14028 C C . SER D 145 ? 0.6080 0.5198 0.5466 -0.0472 -0.0220 0.0123 155 SER D C +14029 O O . SER D 145 ? 0.6380 0.5535 0.5785 -0.0473 -0.0229 0.0116 155 SER D O +14030 C CB . SER D 145 ? 0.5646 0.4769 0.5030 -0.0453 -0.0201 0.0147 155 SER D CB +14031 O OG . SER D 145 ? 0.6976 0.6066 0.6333 -0.0436 -0.0204 0.0146 155 SER D OG +14032 N N . VAL D 146 ? 0.6226 0.5301 0.5584 -0.0467 -0.0221 0.0119 156 VAL D N +14033 C CA . VAL D 146 ? 0.5963 0.5033 0.5311 -0.0460 -0.0233 0.0107 156 VAL D CA +14034 C C . VAL D 146 ? 0.6943 0.6012 0.6297 -0.0483 -0.0242 0.0094 156 VAL D C +14035 O O . VAL D 146 ? 0.6276 0.5365 0.5636 -0.0482 -0.0254 0.0084 156 VAL D O +14036 C CB . VAL D 146 ? 0.6455 0.5480 0.5770 -0.0444 -0.0231 0.0106 156 VAL D CB +14037 C CG1 . VAL D 146 ? 0.6180 0.5196 0.5481 -0.0440 -0.0241 0.0093 156 VAL D CG1 +14038 C CG2 . VAL D 146 ? 0.6425 0.5459 0.5737 -0.0421 -0.0224 0.0116 156 VAL D CG2 +14039 N N . PHE D 147 ? 0.6721 0.5764 0.6072 -0.0504 -0.0237 0.0094 157 PHE D N +14040 C CA . PHE D 147 ? 0.6858 0.5893 0.6213 -0.0526 -0.0245 0.0081 157 PHE D CA +14041 C C . PHE D 147 ? 0.6905 0.5984 0.6298 -0.0549 -0.0247 0.0078 157 PHE D C +14042 O O . PHE D 147 ? 0.6630 0.5717 0.6033 -0.0566 -0.0258 0.0064 157 PHE D O +14043 C CB . PHE D 147 ? 0.6652 0.5628 0.5979 -0.0539 -0.0239 0.0080 157 PHE D CB +14044 C CG . PHE D 147 ? 0.6507 0.5439 0.5798 -0.0520 -0.0241 0.0076 157 PHE D CG +14045 C CD1 . PHE D 147 ? 0.6069 0.4979 0.5340 -0.0497 -0.0233 0.0087 157 PHE D CD1 +14046 C CD2 . PHE D 147 ? 0.6734 0.5645 0.6009 -0.0526 -0.0253 0.0061 157 PHE D CD2 +14047 C CE1 . PHE D 147 ? 0.6763 0.5635 0.6003 -0.0479 -0.0235 0.0082 157 PHE D CE1 +14048 C CE2 . PHE D 147 ? 0.7172 0.6041 0.6412 -0.0508 -0.0254 0.0057 157 PHE D CE2 +14049 C CZ . PHE D 147 ? 0.6563 0.5414 0.5787 -0.0484 -0.0244 0.0068 157 PHE D CZ +14050 N N . LEU D 148 ? 0.5983 0.5091 0.5397 -0.0549 -0.0237 0.0089 158 LEU D N +14051 C CA . LEU D 148 ? 0.6803 0.5957 0.6256 -0.0569 -0.0237 0.0086 158 LEU D CA +14052 C C . LEU D 148 ? 0.5925 0.5133 0.5403 -0.0553 -0.0240 0.0090 158 LEU D C +14053 O O . LEU D 148 ? 0.7082 0.6329 0.6583 -0.0556 -0.0253 0.0080 158 LEU D O +14054 C CB . LEU D 148 ? 0.6509 0.5647 0.5966 -0.0588 -0.0219 0.0096 158 LEU D CB +14055 C CG . LEU D 148 ? 0.7484 0.6564 0.6915 -0.0606 -0.0215 0.0092 158 LEU D CG +14056 C CD1 . LEU D 148 ? 0.6761 0.5815 0.6187 -0.0623 -0.0195 0.0103 158 LEU D CD1 +14057 C CD2 . LEU D 148 ? 0.7176 0.6265 0.6622 -0.0628 -0.0229 0.0074 158 LEU D CD2 +14058 N N . ILE D 149 ? 0.6720 0.5930 0.6192 -0.0535 -0.0229 0.0104 159 ILE D N +14059 C CA . ILE D 149 ? 0.5946 0.5205 0.5441 -0.0522 -0.0231 0.0108 159 ILE D CA +14060 C C . ILE D 149 ? 0.6950 0.6223 0.6440 -0.0505 -0.0247 0.0100 159 ILE D C +14061 O O . ILE D 149 ? 0.5987 0.5302 0.5499 -0.0502 -0.0256 0.0095 159 ILE D O +14062 C CB . ILE D 149 ? 0.6147 0.5401 0.5633 -0.0507 -0.0218 0.0123 159 ILE D CB +14063 C CG1 . ILE D 149 ? 0.6759 0.6003 0.6251 -0.0524 -0.0201 0.0132 159 ILE D CG1 +14064 C CG2 . ILE D 149 ? 0.5566 0.4865 0.5070 -0.0490 -0.0221 0.0126 159 ILE D CG2 +14065 C CD1 . ILE D 149 ? 0.6644 0.5867 0.6115 -0.0509 -0.0189 0.0146 159 ILE D CD1 +14066 N N . TYR D 150 ? 0.6042 0.5279 0.5500 -0.0491 -0.0250 0.0099 160 TYR D N +14067 C CA . TYR D 150 ? 0.5802 0.5049 0.5251 -0.0474 -0.0262 0.0092 160 TYR D CA +14068 C C . TYR D 150 ? 0.6212 0.5479 0.5673 -0.0484 -0.0278 0.0078 160 TYR D C +14069 O O . TYR D 150 ? 0.6315 0.5620 0.5792 -0.0476 -0.0287 0.0076 160 TYR D O +14070 C CB . TYR D 150 ? 0.5415 0.4619 0.4828 -0.0460 -0.0261 0.0093 160 TYR D CB +14071 C CG . TYR D 150 ? 0.5674 0.4886 0.5076 -0.0445 -0.0272 0.0085 160 TYR D CG +14072 C CD1 . TYR D 150 ? 0.5634 0.4870 0.5039 -0.0427 -0.0271 0.0091 160 TYR D CD1 +14073 C CD2 . TYR D 150 ? 0.6092 0.5286 0.5478 -0.0449 -0.0283 0.0072 160 TYR D CD2 +14074 C CE1 . TYR D 150 ? 0.5797 0.5037 0.5188 -0.0414 -0.0280 0.0085 160 TYR D CE1 +14075 C CE2 . TYR D 150 ? 0.6371 0.5570 0.5743 -0.0435 -0.0293 0.0066 160 TYR D CE2 +14076 C CZ . TYR D 150 ? 0.6128 0.5350 0.5503 -0.0418 -0.0291 0.0073 160 TYR D CZ +14077 O OH . TYR D 150 ? 0.6415 0.5638 0.5772 -0.0405 -0.0299 0.0068 160 TYR D OH +14078 N N . PRO D 151 ? 0.6216 0.5462 0.5672 -0.0502 -0.0284 0.0068 161 PRO D N +14079 C CA . PRO D 151 ? 0.5953 0.5223 0.5424 -0.0513 -0.0302 0.0053 161 PRO D CA +14080 C C . PRO D 151 ? 0.6208 0.5531 0.5722 -0.0524 -0.0303 0.0052 161 PRO D C +14081 O O . PRO D 151 ? 0.6204 0.5561 0.5732 -0.0521 -0.0319 0.0043 161 PRO D O +14082 C CB . PRO D 151 ? 0.6570 0.5802 0.6027 -0.0533 -0.0304 0.0043 161 PRO D CB +14083 C CG . PRO D 151 ? 0.6394 0.5595 0.5844 -0.0540 -0.0285 0.0055 161 PRO D CG +14084 C CD . PRO D 151 ? 0.5980 0.5178 0.5416 -0.0514 -0.0276 0.0068 161 PRO D CD +14085 N N . LEU D 152 ? 0.5688 0.5019 0.5221 -0.0536 -0.0288 0.0061 162 LEU D N +14086 C CA . LEU D 152 ? 0.5732 0.5116 0.5307 -0.0546 -0.0287 0.0060 162 LEU D CA +14087 C C . LEU D 152 ? 0.6301 0.5722 0.5886 -0.0523 -0.0292 0.0064 162 LEU D C +14088 O O . LEU D 152 ? 0.6676 0.6145 0.6294 -0.0526 -0.0299 0.0059 162 LEU D O +14089 C CB . LEU D 152 ? 0.5819 0.5199 0.5408 -0.0563 -0.0267 0.0070 162 LEU D CB +14090 C CG . LEU D 152 ? 0.7237 0.6591 0.6827 -0.0593 -0.0263 0.0064 162 LEU D CG +14091 C CD1 . LEU D 152 ? 0.6821 0.6160 0.6414 -0.0606 -0.0240 0.0076 162 LEU D CD1 +14092 C CD2 . LEU D 152 ? 0.6000 0.5393 0.5625 -0.0613 -0.0277 0.0047 162 LEU D CD2 +14093 N N . GLY D 153 ? 0.6741 0.6142 0.6299 -0.0500 -0.0287 0.0074 163 GLY D N +14094 C CA . GLY D 153 ? 0.6034 0.5465 0.5596 -0.0479 -0.0292 0.0077 163 GLY D CA +14095 C C . GLY D 153 ? 0.6489 0.5925 0.6039 -0.0468 -0.0312 0.0066 163 GLY D C +14096 O O . GLY D 153 ? 0.5924 0.5392 0.5485 -0.0455 -0.0320 0.0065 163 GLY D O +14097 N N . GLN D 154 ? 0.6038 0.5439 0.5563 -0.0472 -0.0319 0.0059 164 GLN D N +14098 C CA . GLN D 154 ? 0.6267 0.5665 0.5774 -0.0461 -0.0337 0.0048 164 GLN D CA +14099 C C . GLN D 154 ? 0.6241 0.5670 0.5773 -0.0475 -0.0355 0.0033 164 GLN D C +14100 O O . GLN D 154 ? 0.5998 0.5461 0.5567 -0.0490 -0.0352 0.0032 164 GLN D O +14101 C CB . GLN D 154 ? 0.5823 0.5170 0.5290 -0.0458 -0.0335 0.0046 164 GLN D CB +14102 C CG . GLN D 154 ? 0.5804 0.5128 0.5250 -0.0441 -0.0320 0.0060 164 GLN D CG +14103 C CD . GLN D 154 ? 0.6694 0.6033 0.6130 -0.0418 -0.0323 0.0063 164 GLN D CD +14104 O OE1 . GLN D 154 ? 0.6228 0.5584 0.5663 -0.0413 -0.0339 0.0055 164 GLN D OE1 +14105 N NE2 . GLN D 154 ? 0.5993 0.5325 0.5422 -0.0406 -0.0310 0.0075 164 GLN D NE2 +14106 N N . SER D 155 ? 0.5707 0.5126 0.5219 -0.0471 -0.0373 0.0021 165 SER D N +14107 C CA . SER D 155 ? 0.6837 0.6289 0.6372 -0.0482 -0.0393 0.0006 165 SER D CA +14108 C C . SER D 155 ? 0.7079 0.6521 0.6628 -0.0511 -0.0394 -0.0004 165 SER D C +14109 O O . SER D 155 ? 0.6927 0.6408 0.6513 -0.0527 -0.0404 -0.0015 165 SER D O +14110 C CB . SER D 155 ? 0.5880 0.5324 0.5387 -0.0465 -0.0413 -0.0004 165 SER D CB +14111 O OG . SER D 155 ? 0.7060 0.6454 0.6527 -0.0466 -0.0414 -0.0008 165 SER D OG +14112 N N . SER D 156 ? 0.6226 0.5618 0.5748 -0.0519 -0.0383 -0.0002 166 SER D N +14113 C CA . SER D 156 ? 0.6527 0.5901 0.6055 -0.0547 -0.0385 -0.0012 166 SER D CA +14114 C C . SER D 156 ? 0.7738 0.7054 0.7233 -0.0549 -0.0368 -0.0004 166 SER D C +14115 O O . SER D 156 ? 0.6359 0.5654 0.5829 -0.0528 -0.0358 0.0007 166 SER D O +14116 C CB . SER D 156 ? 0.6147 0.5516 0.5662 -0.0550 -0.0409 -0.0031 166 SER D CB +14117 O OG . SER D 156 ? 0.6451 0.5777 0.5918 -0.0532 -0.0412 -0.0031 166 SER D OG +14118 N N . TRP D 157 ? 0.5778 0.5069 0.5274 -0.0574 -0.0366 -0.0011 167 TRP D N +14119 C CA . TRP D 157 ? 0.6386 0.5617 0.5847 -0.0576 -0.0353 -0.0007 167 TRP D CA +14120 C C . TRP D 157 ? 0.6264 0.5457 0.5680 -0.0556 -0.0361 -0.0011 167 TRP D C +14121 O O . TRP D 157 ? 0.6947 0.6095 0.6333 -0.0548 -0.0348 -0.0004 167 TRP D O +14122 C CB . TRP D 157 ? 0.5905 0.5112 0.5371 -0.0607 -0.0353 -0.0016 167 TRP D CB +14123 C CG . TRP D 157 ? 0.6781 0.6016 0.6287 -0.0632 -0.0342 -0.0012 167 TRP D CG +14124 C CD1 . TRP D 157 ? 0.5955 0.5218 0.5495 -0.0660 -0.0350 -0.0025 167 TRP D CD1 +14125 C CD2 . TRP D 157 ? 0.6494 0.5730 0.6010 -0.0633 -0.0319 0.0005 167 TRP D CD2 +14126 N NE1 . TRP D 157 ? 0.6416 0.5699 0.5987 -0.0678 -0.0333 -0.0017 167 TRP D NE1 +14127 C CE2 . TRP D 157 ? 0.6079 0.5342 0.5633 -0.0661 -0.0314 0.0002 167 TRP D CE2 +14128 C CE3 . TRP D 157 ? 0.6458 0.5673 0.5953 -0.0612 -0.0304 0.0022 167 TRP D CE3 +14129 C CZ2 . TRP D 157 ? 0.6391 0.5660 0.5961 -0.0669 -0.0292 0.0016 167 TRP D CZ2 +14130 C CZ3 . TRP D 157 ? 0.6518 0.5739 0.6028 -0.0619 -0.0284 0.0036 167 TRP D CZ3 +14131 C CH2 . TRP D 157 ? 0.6934 0.6181 0.6480 -0.0647 -0.0278 0.0033 167 TRP D CH2 +14132 N N . PHE D 158 ? 0.7107 0.6314 0.6516 -0.0549 -0.0380 -0.0023 168 PHE D N +14133 C CA . PHE D 158 ? 0.7009 0.6179 0.6373 -0.0531 -0.0387 -0.0029 168 PHE D CA +14134 C C . PHE D 158 ? 0.7280 0.6431 0.6621 -0.0507 -0.0371 -0.0014 168 PHE D C +14135 O O . PHE D 158 ? 0.6604 0.5711 0.5909 -0.0497 -0.0366 -0.0015 168 PHE D O +14136 C CB . PHE D 158 ? 0.6482 0.5681 0.5845 -0.0521 -0.0409 -0.0040 168 PHE D CB +14137 C CG . PHE D 158 ? 0.7231 0.6394 0.6546 -0.0503 -0.0416 -0.0045 168 PHE D CG +14138 C CD1 . PHE D 158 ? 0.6756 0.5917 0.6051 -0.0476 -0.0408 -0.0035 168 PHE D CD1 +14139 C CD2 . PHE D 158 ? 0.6157 0.5289 0.5448 -0.0513 -0.0429 -0.0062 168 PHE D CD2 +14140 C CE1 . PHE D 158 ? 0.6599 0.5727 0.5849 -0.0460 -0.0413 -0.0041 168 PHE D CE1 +14141 C CE2 . PHE D 158 ? 0.6802 0.5900 0.6047 -0.0495 -0.0435 -0.0067 168 PHE D CE2 +14142 C CZ . PHE D 158 ? 0.6687 0.5784 0.5912 -0.0469 -0.0426 -0.0057 168 PHE D CZ +14143 N N . PHE D 159 ? 0.6633 0.5816 0.5995 -0.0496 -0.0361 0.0000 169 PHE D N +14144 C CA . PHE D 159 ? 0.7374 0.6545 0.6718 -0.0473 -0.0348 0.0012 169 PHE D CA +14145 C C . PHE D 159 ? 0.6774 0.5922 0.6118 -0.0476 -0.0328 0.0024 169 PHE D C +14146 O O . PHE D 159 ? 0.7603 0.6743 0.6936 -0.0458 -0.0317 0.0035 169 PHE D O +14147 C CB . PHE D 159 ? 0.6420 0.5635 0.5782 -0.0459 -0.0350 0.0020 169 PHE D CB +14148 C CG . PHE D 159 ? 0.6507 0.5732 0.5855 -0.0449 -0.0368 0.0010 169 PHE D CG +14149 C CD1 . PHE D 159 ? 0.5422 0.4618 0.4730 -0.0431 -0.0368 0.0008 169 PHE D CD1 +14150 C CD2 . PHE D 159 ? 0.6067 0.5330 0.5440 -0.0457 -0.0385 0.0001 169 PHE D CD2 +14151 C CE1 . PHE D 159 ? 0.6158 0.5358 0.5447 -0.0421 -0.0384 -0.0001 169 PHE D CE1 +14152 C CE2 . PHE D 159 ? 0.6434 0.5704 0.5790 -0.0446 -0.0403 -0.0009 169 PHE D CE2 +14153 C CZ . PHE D 159 ? 0.6378 0.5614 0.5690 -0.0428 -0.0403 -0.0009 169 PHE D CZ +14154 N N . ALA D 160 ? 0.6639 0.5774 0.5994 -0.0498 -0.0325 0.0022 170 ALA D N +14155 C CA . ALA D 160 ? 0.6018 0.5119 0.5363 -0.0500 -0.0308 0.0032 170 ALA D CA +14156 C C . ALA D 160 ? 0.6527 0.5578 0.5831 -0.0488 -0.0307 0.0028 170 ALA D C +14157 O O . ALA D 160 ? 0.7181 0.6220 0.6466 -0.0486 -0.0319 0.0015 170 ALA D O +14158 C CB . ALA D 160 ? 0.6490 0.5587 0.5854 -0.0528 -0.0305 0.0030 170 ALA D CB +14159 N N . PRO D 161 ? 0.6763 0.5782 0.6052 -0.0480 -0.0293 0.0037 171 PRO D N +14160 C CA . PRO D 161 ? 0.6139 0.5108 0.5390 -0.0470 -0.0291 0.0032 171 PRO D CA +14161 C C . PRO D 161 ? 0.7292 0.6227 0.6530 -0.0491 -0.0298 0.0019 171 PRO D C +14162 O O . PRO D 161 ? 0.6378 0.5312 0.5633 -0.0514 -0.0296 0.0020 171 PRO D O +14163 C CB . PRO D 161 ? 0.6363 0.5312 0.5607 -0.0458 -0.0275 0.0045 171 PRO D CB +14164 C CG . PRO D 161 ? 0.6397 0.5382 0.5672 -0.0463 -0.0268 0.0057 171 PRO D CG +14165 C CD . PRO D 161 ? 0.6574 0.5597 0.5877 -0.0482 -0.0278 0.0052 171 PRO D CD +14166 N N . SER D 162 ? 0.6610 0.5517 0.5819 -0.0485 -0.0306 0.0007 172 SER D N +14167 C CA . SER D 162 ? 0.6271 0.5133 0.5459 -0.0501 -0.0311 -0.0005 172 SER D CA +14168 C C . SER D 162 ? 0.7403 0.6214 0.6564 -0.0493 -0.0297 0.0001 172 SER D C +14169 O O . SER D 162 ? 0.6878 0.5685 0.6030 -0.0469 -0.0287 0.0010 172 SER D O +14170 C CB . SER D 162 ? 0.6074 0.4925 0.5237 -0.0496 -0.0325 -0.0021 172 SER D CB +14171 O OG . SER D 162 ? 0.6730 0.5625 0.5916 -0.0506 -0.0341 -0.0028 172 SER D OG +14172 N N . PHE D 163 ? 0.7456 0.6225 0.6604 -0.0513 -0.0298 -0.0005 173 PHE D N +14173 C CA . PHE D 163 ? 0.6618 0.5333 0.5740 -0.0508 -0.0286 0.0000 173 PHE D CA +14174 C C . PHE D 163 ? 0.7639 0.6307 0.6719 -0.0492 -0.0288 -0.0010 173 PHE D C +14175 O O . PHE D 163 ? 0.7060 0.5686 0.6116 -0.0506 -0.0294 -0.0023 173 PHE D O +14176 C CB . PHE D 163 ? 0.6332 0.5021 0.5457 -0.0539 -0.0283 0.0000 173 PHE D CB +14177 C CG . PHE D 163 ? 0.6589 0.5318 0.5753 -0.0554 -0.0276 0.0012 173 PHE D CG +14178 C CD1 . PHE D 163 ? 0.6381 0.5107 0.5547 -0.0542 -0.0262 0.0029 173 PHE D CD1 +14179 C CD2 . PHE D 163 ? 0.6482 0.5250 0.5679 -0.0580 -0.0285 0.0005 173 PHE D CD2 +14180 C CE1 . PHE D 163 ? 0.7208 0.5967 0.6406 -0.0557 -0.0254 0.0040 173 PHE D CE1 +14181 C CE2 . PHE D 163 ? 0.6691 0.5495 0.5923 -0.0594 -0.0277 0.0016 173 PHE D CE2 +14182 C CZ . PHE D 163 ? 0.6923 0.5721 0.6153 -0.0583 -0.0261 0.0033 173 PHE D CZ +14183 N N . GLY D 164 ? 0.6430 0.5105 0.5500 -0.0463 -0.0283 -0.0006 174 GLY D N +14184 C CA . GLY D 164 ? 0.6092 0.4726 0.5124 -0.0444 -0.0282 -0.0016 174 GLY D CA +14185 C C . GLY D 164 ? 0.7166 0.5815 0.6196 -0.0413 -0.0272 -0.0007 174 GLY D C +14186 O O . GLY D 164 ? 0.6561 0.5258 0.5620 -0.0407 -0.0269 0.0003 174 GLY D O +14187 N N . VAL D 165 ? 0.6305 0.4914 0.5302 -0.0394 -0.0267 -0.0013 175 VAL D N +14188 C CA . VAL D 165 ? 0.7176 0.5799 0.6173 -0.0364 -0.0257 -0.0006 175 VAL D CA +14189 C C . VAL D 165 ? 0.6562 0.5231 0.5572 -0.0356 -0.0259 -0.0008 175 VAL D C +14190 O O . VAL D 165 ? 0.6992 0.5705 0.6029 -0.0348 -0.0254 0.0002 175 VAL D O +14191 C CB . VAL D 165 ? 0.7168 0.5740 0.6129 -0.0344 -0.0250 -0.0014 175 VAL D CB +14192 C CG1 . VAL D 165 ? 0.6423 0.5015 0.5385 -0.0314 -0.0240 -0.0011 175 VAL D CG1 +14193 C CG2 . VAL D 165 ? 0.6539 0.5069 0.5490 -0.0347 -0.0245 -0.0006 175 VAL D CG2 +14194 N N . ALA D 166 ? 0.6273 0.4932 0.5261 -0.0357 -0.0267 -0.0022 176 ALA D N +14195 C CA . ALA D 166 ? 0.5813 0.4508 0.4805 -0.0348 -0.0268 -0.0024 176 ALA D CA +14196 C C . ALA D 166 ? 0.6841 0.5583 0.5866 -0.0364 -0.0277 -0.0019 176 ALA D C +14197 O O . ALA D 166 ? 0.6701 0.5480 0.5738 -0.0356 -0.0276 -0.0014 176 ALA D O +14198 C CB . ALA D 166 ? 0.6388 0.5054 0.5343 -0.0343 -0.0274 -0.0040 176 ALA D CB +14199 N N . ALA D 167 ? 0.6665 0.5404 0.5702 -0.0389 -0.0287 -0.0020 177 ALA D N +14200 C CA . ALA D 167 ? 0.6825 0.5612 0.5896 -0.0403 -0.0295 -0.0016 177 ALA D CA +14201 C C . ALA D 167 ? 0.6817 0.5640 0.5918 -0.0396 -0.0284 0.0001 177 ALA D C +14202 O O . ALA D 167 ? 0.6407 0.5274 0.5531 -0.0396 -0.0287 0.0006 177 ALA D O +14203 C CB . ALA D 167 ? 0.6000 0.4780 0.5081 -0.0432 -0.0306 -0.0021 177 ALA D CB +14204 N N . ILE D 168 ? 0.6584 0.5387 0.5684 -0.0388 -0.0272 0.0009 178 ILE D N +14205 C CA . ILE D 168 ? 0.6337 0.5170 0.5463 -0.0380 -0.0263 0.0025 178 ILE D CA +14206 C C . ILE D 168 ? 0.6147 0.5002 0.5271 -0.0357 -0.0256 0.0027 178 ILE D C +14207 O O . ILE D 168 ? 0.6931 0.5826 0.6080 -0.0354 -0.0254 0.0036 178 ILE D O +14208 C CB . ILE D 168 ? 0.6292 0.5093 0.5412 -0.0379 -0.0254 0.0032 178 ILE D CB +14209 C CG1 . ILE D 168 ? 0.6636 0.5430 0.5768 -0.0405 -0.0258 0.0035 178 ILE D CG1 +14210 C CG2 . ILE D 168 ? 0.6275 0.5095 0.5407 -0.0359 -0.0243 0.0045 178 ILE D CG2 +14211 C CD1 . ILE D 168 ? 0.7485 0.6324 0.6652 -0.0414 -0.0256 0.0046 178 ILE D CD1 +14212 N N . PHE D 169 ? 0.6082 0.4911 0.5179 -0.0342 -0.0253 0.0019 179 PHE D N +14213 C CA . PHE D 169 ? 0.6363 0.5213 0.5457 -0.0323 -0.0246 0.0020 179 PHE D CA +14214 C C . PHE D 169 ? 0.6399 0.5283 0.5502 -0.0329 -0.0253 0.0019 179 PHE D C +14215 O O . PHE D 169 ? 0.6694 0.5608 0.5810 -0.0319 -0.0247 0.0025 179 PHE D O +14216 C CB . PHE D 169 ? 0.6230 0.5045 0.5291 -0.0308 -0.0241 0.0009 179 PHE D CB +14217 C CG . PHE D 169 ? 0.6419 0.5200 0.5470 -0.0298 -0.0233 0.0009 179 PHE D CG +14218 C CD1 . PHE D 169 ? 0.6309 0.5097 0.5379 -0.0295 -0.0228 0.0021 179 PHE D CD1 +14219 C CD2 . PHE D 169 ? 0.6731 0.5469 0.5747 -0.0289 -0.0231 -0.0003 179 PHE D CD2 +14220 C CE1 . PHE D 169 ? 0.6542 0.5296 0.5599 -0.0283 -0.0222 0.0021 179 PHE D CE1 +14221 C CE2 . PHE D 169 ? 0.7459 0.6162 0.6463 -0.0277 -0.0225 -0.0003 179 PHE D CE2 +14222 C CZ . PHE D 169 ? 0.6318 0.5030 0.5343 -0.0273 -0.0220 0.0010 179 PHE D CZ +14223 N N . ARG D 170 ? 0.6261 0.5137 0.5355 -0.0344 -0.0267 0.0010 180 ARG D N +14224 C CA . ARG D 170 ? 0.6886 0.5794 0.5987 -0.0348 -0.0276 0.0008 180 ARG D CA +14225 C C . ARG D 170 ? 0.5964 0.4913 0.5102 -0.0355 -0.0276 0.0021 180 ARG D C +14226 O O . ARG D 170 ? 0.6819 0.5799 0.5967 -0.0349 -0.0277 0.0025 180 ARG D O +14227 C CB . ARG D 170 ? 0.6524 0.5416 0.5610 -0.0364 -0.0293 -0.0005 180 ARG D CB +14228 C CG . ARG D 170 ? 0.6422 0.5349 0.5523 -0.0372 -0.0308 -0.0006 180 ARG D CG +14229 C CD . ARG D 170 ? 0.6459 0.5414 0.5597 -0.0390 -0.0313 0.0000 180 ARG D CD +14230 N NE . ARG D 170 ? 0.6449 0.5442 0.5604 -0.0394 -0.0325 -0.0001 180 ARG D NE +14231 C CZ . ARG D 170 ? 0.7272 0.6300 0.6462 -0.0406 -0.0329 0.0005 180 ARG D CZ +14232 N NH1 . ARG D 170 ? 0.6553 0.5582 0.5765 -0.0416 -0.0320 0.0013 180 ARG D NH1 +14233 N NH2 . ARG D 170 ? 0.6337 0.5400 0.5541 -0.0406 -0.0341 0.0003 180 ARG D NH2 +14234 N N . PHE D 171 ? 0.6110 0.5058 0.5267 -0.0367 -0.0275 0.0026 181 PHE D N +14235 C CA . PHE D 171 ? 0.6731 0.5714 0.5922 -0.0373 -0.0273 0.0038 181 PHE D CA +14236 C C . PHE D 171 ? 0.6209 0.5211 0.5408 -0.0355 -0.0261 0.0049 181 PHE D C +14237 O O . PHE D 171 ? 0.5711 0.4748 0.4929 -0.0354 -0.0262 0.0055 181 PHE D O +14238 C CB . PHE D 171 ? 0.5732 0.4701 0.4934 -0.0388 -0.0272 0.0042 181 PHE D CB +14239 C CG . PHE D 171 ? 0.6908 0.5912 0.6144 -0.0399 -0.0271 0.0052 181 PHE D CG +14240 C CD1 . PHE D 171 ? 0.6238 0.5269 0.5492 -0.0414 -0.0282 0.0048 181 PHE D CD1 +14241 C CD2 . PHE D 171 ? 0.5878 0.4886 0.5125 -0.0393 -0.0260 0.0064 181 PHE D CD2 +14242 C CE1 . PHE D 171 ? 0.6719 0.5782 0.6004 -0.0423 -0.0280 0.0056 181 PHE D CE1 +14243 C CE2 . PHE D 171 ? 0.6039 0.5077 0.5314 -0.0402 -0.0258 0.0073 181 PHE D CE2 +14244 C CZ . PHE D 171 ? 0.7178 0.6244 0.6472 -0.0418 -0.0267 0.0070 181 PHE D CZ +14245 N N . LEU D 172 ? 0.6877 0.5857 0.6063 -0.0341 -0.0251 0.0050 182 LEU D N +14246 C CA . LEU D 172 ? 0.6119 0.5118 0.5314 -0.0325 -0.0240 0.0058 182 LEU D CA +14247 C C . LEU D 172 ? 0.6381 0.5401 0.5572 -0.0318 -0.0240 0.0056 182 LEU D C +14248 O O . LEU D 172 ? 0.6215 0.5265 0.5423 -0.0314 -0.0236 0.0064 182 LEU D O +14249 C CB . LEU D 172 ? 0.6122 0.5094 0.5302 -0.0309 -0.0230 0.0056 182 LEU D CB +14250 C CG . LEU D 172 ? 0.6203 0.5142 0.5377 -0.0312 -0.0229 0.0057 182 LEU D CG +14251 C CD1 . LEU D 172 ? 0.5911 0.4827 0.5070 -0.0293 -0.0220 0.0054 182 LEU D CD1 +14252 C CD2 . LEU D 172 ? 0.5114 0.4071 0.4313 -0.0319 -0.0227 0.0070 182 LEU D CD2 +14253 N N A LEU D 173 ? 0.6539 0.5540 0.5704 -0.0316 -0.0244 0.0045 183 LEU D N +14254 N N B LEU D 173 ? 0.6552 0.5553 0.5716 -0.0316 -0.0244 0.0045 183 LEU D N +14255 C CA A LEU D 173 ? 0.6153 0.5166 0.5305 -0.0307 -0.0242 0.0043 183 LEU D CA +14256 C CA B LEU D 173 ? 0.6147 0.5160 0.5300 -0.0307 -0.0242 0.0043 183 LEU D CA +14257 C C A LEU D 173 ? 0.6310 0.5350 0.5474 -0.0316 -0.0253 0.0046 183 LEU D C +14258 C C B LEU D 173 ? 0.6310 0.5350 0.5474 -0.0316 -0.0253 0.0046 183 LEU D C +14259 O O A LEU D 173 ? 0.6150 0.5210 0.5316 -0.0310 -0.0250 0.0051 183 LEU D O +14260 O O B LEU D 173 ? 0.6158 0.5218 0.5324 -0.0310 -0.0250 0.0051 183 LEU D O +14261 C CB A LEU D 173 ? 0.6683 0.5664 0.5800 -0.0302 -0.0243 0.0031 183 LEU D CB +14262 C CB B LEU D 173 ? 0.6683 0.5665 0.5800 -0.0301 -0.0242 0.0031 183 LEU D CB +14263 C CG A LEU D 173 ? 0.6737 0.5693 0.5843 -0.0291 -0.0231 0.0028 183 LEU D CG +14264 C CG B LEU D 173 ? 0.6750 0.5705 0.5855 -0.0290 -0.0230 0.0028 183 LEU D CG +14265 C CD1 A LEU D 173 ? 0.6341 0.5265 0.5409 -0.0284 -0.0230 0.0015 183 LEU D CD1 +14266 C CD1 B LEU D 173 ? 0.6333 0.5256 0.5401 -0.0285 -0.0231 0.0015 183 LEU D CD1 +14267 C CD2 A LEU D 173 ? 0.5600 0.4576 0.4722 -0.0277 -0.0215 0.0036 183 LEU D CD2 +14268 C CD2 B LEU D 173 ? 0.5600 0.4575 0.4720 -0.0277 -0.0215 0.0035 183 LEU D CD2 +14269 N N . PHE D 174 ? 0.7030 0.6071 0.6201 -0.0331 -0.0267 0.0042 184 PHE D N +14270 C CA . PHE D 174 ? 0.5688 0.4760 0.4877 -0.0338 -0.0277 0.0045 184 PHE D CA +14271 C C . PHE D 174 ? 0.6335 0.5436 0.5552 -0.0336 -0.0270 0.0058 184 PHE D C +14272 O O . PHE D 174 ? 0.6474 0.5599 0.5697 -0.0332 -0.0272 0.0062 184 PHE D O +14273 C CB . PHE D 174 ? 0.6158 0.5229 0.5357 -0.0356 -0.0291 0.0038 184 PHE D CB +14274 C CG . PHE D 174 ? 0.6270 0.5374 0.5489 -0.0364 -0.0304 0.0039 184 PHE D CG +14275 C CD1 . PHE D 174 ? 0.5735 0.4870 0.4986 -0.0368 -0.0301 0.0049 184 PHE D CD1 +14276 C CD2 . PHE D 174 ? 0.6273 0.5378 0.5477 -0.0365 -0.0319 0.0028 184 PHE D CD2 +14277 C CE1 . PHE D 174 ? 0.7152 0.6321 0.6423 -0.0373 -0.0312 0.0049 184 PHE D CE1 +14278 C CE2 . PHE D 174 ? 0.7308 0.6446 0.6531 -0.0370 -0.0332 0.0028 184 PHE D CE2 +14279 C CZ . PHE D 174 ? 0.5987 0.5158 0.5244 -0.0373 -0.0328 0.0038 184 PHE D CZ +14280 N N . PHE D 175 ? 0.5750 0.4847 0.4981 -0.0337 -0.0261 0.0064 185 PHE D N +14281 C CA . PHE D 175 ? 0.6135 0.5260 0.5392 -0.0335 -0.0254 0.0076 185 PHE D CA +14282 C C . PHE D 175 ? 0.5944 0.5079 0.5196 -0.0320 -0.0245 0.0081 185 PHE D C +14283 O O . PHE D 175 ? 0.5949 0.5108 0.5216 -0.0319 -0.0243 0.0088 185 PHE D O +14284 C CB . PHE D 175 ? 0.6317 0.5433 0.5586 -0.0339 -0.0248 0.0082 185 PHE D CB +14285 C CG . PHE D 175 ? 0.5657 0.4784 0.4945 -0.0356 -0.0254 0.0084 185 PHE D CG +14286 C CD1 . PHE D 175 ? 0.5670 0.4791 0.4955 -0.0369 -0.0266 0.0075 185 PHE D CD1 +14287 C CD2 . PHE D 175 ? 0.6271 0.5414 0.5581 -0.0358 -0.0249 0.0095 185 PHE D CD2 +14288 C CE1 . PHE D 175 ? 0.6210 0.5344 0.5516 -0.0386 -0.0270 0.0076 185 PHE D CE1 +14289 C CE2 . PHE D 175 ? 0.6490 0.5643 0.5818 -0.0374 -0.0252 0.0096 185 PHE D CE2 +14290 C CZ . PHE D 175 ? 0.5963 0.5113 0.5291 -0.0389 -0.0262 0.0087 185 PHE D CZ +14291 N N A GLN D 176 ? 0.5805 0.4919 0.5035 -0.0311 -0.0238 0.0075 186 GLN D N +14292 N N B GLN D 176 ? 0.5796 0.4910 0.5026 -0.0311 -0.0238 0.0076 186 GLN D N +14293 C CA A GLN D 176 ? 0.6005 0.5129 0.5231 -0.0299 -0.0228 0.0079 186 GLN D CA +14294 C CA B GLN D 176 ? 0.6019 0.5143 0.5245 -0.0299 -0.0228 0.0079 186 GLN D CA +14295 C C A GLN D 176 ? 0.6305 0.5438 0.5519 -0.0298 -0.0233 0.0077 186 GLN D C +14296 C C B GLN D 176 ? 0.6326 0.5458 0.5539 -0.0299 -0.0233 0.0077 186 GLN D C +14297 O O A GLN D 176 ? 0.5736 0.4889 0.4959 -0.0296 -0.0230 0.0084 186 GLN D O +14298 O O B GLN D 176 ? 0.5711 0.4862 0.4933 -0.0296 -0.0230 0.0084 186 GLN D O +14299 C CB A GLN D 176 ? 0.5869 0.4970 0.5077 -0.0289 -0.0217 0.0073 186 GLN D CB +14300 C CB B GLN D 176 ? 0.5884 0.4986 0.5092 -0.0289 -0.0217 0.0073 186 GLN D CB +14301 C CG A GLN D 176 ? 0.5908 0.5020 0.5112 -0.0279 -0.0205 0.0075 186 GLN D CG +14302 C CG B GLN D 176 ? 0.5905 0.5017 0.5109 -0.0279 -0.0205 0.0075 186 GLN D CG +14303 C CD A GLN D 176 ? 0.6184 0.5323 0.5415 -0.0278 -0.0199 0.0085 186 GLN D CD +14304 C CD B GLN D 176 ? 0.6197 0.5336 0.5428 -0.0278 -0.0199 0.0085 186 GLN D CD +14305 O OE1 A GLN D 176 ? 0.6342 0.5485 0.5591 -0.0277 -0.0198 0.0089 186 GLN D OE1 +14306 O OE1 B GLN D 176 ? 0.6365 0.5508 0.5614 -0.0277 -0.0198 0.0089 186 GLN D OE1 +14307 N NE2 A GLN D 176 ? 0.5732 0.4886 0.4963 -0.0276 -0.0196 0.0089 186 GLN D NE2 +14308 N NE2 B GLN D 176 ? 0.5721 0.4875 0.4953 -0.0276 -0.0195 0.0089 186 GLN D NE2 +14309 N N A GLY D 177 ? 0.5788 0.4904 0.4979 -0.0301 -0.0243 0.0068 187 GLY D N +14310 N N B GLY D 177 ? 0.5781 0.4897 0.4972 -0.0301 -0.0243 0.0068 187 GLY D N +14311 C CA A GLY D 177 ? 0.5510 0.4630 0.4683 -0.0298 -0.0249 0.0067 187 GLY D CA +14312 C CA B GLY D 177 ? 0.5500 0.4619 0.4672 -0.0298 -0.0249 0.0066 187 GLY D CA +14313 C C A GLY D 177 ? 0.5647 0.4792 0.4838 -0.0302 -0.0260 0.0072 187 GLY D C +14314 C C B GLY D 177 ? 0.5646 0.4791 0.4837 -0.0303 -0.0260 0.0072 187 GLY D C +14315 O O A GLY D 177 ? 0.6055 0.5210 0.5239 -0.0296 -0.0259 0.0076 187 GLY D O +14316 O O B GLY D 177 ? 0.6054 0.5209 0.5239 -0.0296 -0.0258 0.0076 187 GLY D O +14317 N N . PHE D 178 ? 0.5617 0.4774 0.4830 -0.0313 -0.0269 0.0071 188 PHE D N +14318 C CA . PHE D 178 ? 0.5918 0.5103 0.5151 -0.0318 -0.0280 0.0074 188 PHE D CA +14319 C C . PHE D 178 ? 0.6034 0.5242 0.5295 -0.0318 -0.0272 0.0085 188 PHE D C +14320 O O . PHE D 178 ? 0.6250 0.5479 0.5519 -0.0315 -0.0275 0.0090 188 PHE D O +14321 C CB . PHE D 178 ? 0.5482 0.4670 0.4724 -0.0331 -0.0295 0.0066 188 PHE D CB +14322 C CG . PHE D 178 ? 0.5914 0.5084 0.5127 -0.0330 -0.0308 0.0054 188 PHE D CG +14323 C CD1 . PHE D 178 ? 0.5966 0.5103 0.5155 -0.0330 -0.0305 0.0046 188 PHE D CD1 +14324 C CD2 . PHE D 178 ? 0.6055 0.5240 0.5264 -0.0326 -0.0323 0.0051 188 PHE D CD2 +14325 C CE1 . PHE D 178 ? 0.6575 0.5694 0.5734 -0.0328 -0.0317 0.0035 188 PHE D CE1 +14326 C CE2 . PHE D 178 ? 0.6353 0.5521 0.5531 -0.0324 -0.0336 0.0040 188 PHE D CE2 +14327 C CZ . PHE D 178 ? 0.6370 0.5504 0.5523 -0.0325 -0.0333 0.0032 188 PHE D CZ +14328 N N . HIS D 179 ? 0.5655 0.4859 0.4929 -0.0321 -0.0262 0.0089 189 HIS D N +14329 C CA . HIS D 179 ? 0.5580 0.4803 0.4879 -0.0322 -0.0256 0.0099 189 HIS D CA +14330 C C . HIS D 179 ? 0.5872 0.5094 0.5170 -0.0313 -0.0243 0.0106 189 HIS D C +14331 O O . HIS D 179 ? 0.5824 0.5063 0.5140 -0.0312 -0.0238 0.0114 189 HIS D O +14332 C CB . HIS D 179 ? 0.5646 0.4866 0.4962 -0.0334 -0.0256 0.0100 189 HIS D CB +14333 C CG . HIS D 179 ? 0.6581 0.5809 0.5907 -0.0347 -0.0268 0.0094 189 HIS D CG +14334 N ND1 . HIS D 179 ? 0.5489 0.4747 0.4832 -0.0349 -0.0276 0.0095 189 HIS D ND1 +14335 C CD2 . HIS D 179 ? 0.6574 0.5787 0.5899 -0.0359 -0.0273 0.0087 189 HIS D CD2 +14336 C CE1 . HIS D 179 ? 0.6608 0.5871 0.5962 -0.0363 -0.0286 0.0088 189 HIS D CE1 +14337 N NE2 . HIS D 179 ? 0.6049 0.5284 0.5392 -0.0370 -0.0284 0.0084 189 HIS D NE2 +14338 N N . ASN D 180 ? 0.5700 0.4904 0.4978 -0.0305 -0.0236 0.0102 190 ASN D N +14339 C CA . ASN D 180 ? 0.6297 0.5501 0.5578 -0.0297 -0.0222 0.0106 190 ASN D CA +14340 C C . ASN D 180 ? 0.6113 0.5322 0.5414 -0.0299 -0.0218 0.0111 190 ASN D C +14341 O O . ASN D 180 ? 0.6063 0.5287 0.5378 -0.0296 -0.0213 0.0118 190 ASN D O +14342 C CB . ASN D 180 ? 0.5119 0.4339 0.4400 -0.0292 -0.0218 0.0111 190 ASN D CB +14343 C CG . ASN D 180 ? 0.5958 0.5173 0.5231 -0.0285 -0.0205 0.0111 190 ASN D CG +14344 O OD1 . ASN D 180 ? 0.6645 0.5846 0.5911 -0.0282 -0.0199 0.0106 190 ASN D OD1 +14345 N ND2 . ASN D 180 ? 0.5969 0.5195 0.5244 -0.0282 -0.0200 0.0116 190 ASN D ND2 +14346 N N . TRP D 181 ? 0.6033 0.5226 0.5333 -0.0303 -0.0221 0.0108 191 TRP D N +14347 C CA . TRP D 181 ? 0.6700 0.5892 0.6015 -0.0307 -0.0220 0.0113 191 TRP D CA +14348 C C . TRP D 181 ? 0.5735 0.4925 0.5053 -0.0296 -0.0210 0.0116 191 TRP D C +14349 O O . TRP D 181 ? 0.5879 0.5075 0.5209 -0.0295 -0.0209 0.0123 191 TRP D O +14350 C CB . TRP D 181 ? 0.5746 0.4917 0.5054 -0.0316 -0.0226 0.0108 191 TRP D CB +14351 C CG . TRP D 181 ? 0.6259 0.5418 0.5574 -0.0320 -0.0224 0.0113 191 TRP D CG +14352 C CD1 . TRP D 181 ? 0.6291 0.5420 0.5593 -0.0319 -0.0222 0.0109 191 TRP D CD1 +14353 C CD2 . TRP D 181 ? 0.6070 0.5242 0.5402 -0.0326 -0.0222 0.0122 191 TRP D CD2 +14354 N NE1 . TRP D 181 ? 0.6048 0.5168 0.5356 -0.0323 -0.0220 0.0115 191 TRP D NE1 +14355 C CE2 . TRP D 181 ? 0.6344 0.5491 0.5671 -0.0328 -0.0220 0.0123 191 TRP D CE2 +14356 C CE3 . TRP D 181 ? 0.5330 0.4530 0.4679 -0.0328 -0.0223 0.0128 191 TRP D CE3 +14357 C CZ2 . TRP D 181 ? 0.6560 0.5708 0.5896 -0.0333 -0.0217 0.0132 191 TRP D CZ2 +14358 C CZ3 . TRP D 181 ? 0.5957 0.5160 0.5317 -0.0333 -0.0220 0.0136 191 TRP D CZ3 +14359 C CH2 . TRP D 181 ? 0.6142 0.5320 0.5496 -0.0336 -0.0217 0.0138 191 TRP D CH2 +14360 N N A THR D 182 ? 0.5660 0.4842 0.4966 -0.0287 -0.0204 0.0111 192 THR D N +14361 N N B THR D 182 ? 0.5655 0.4837 0.4961 -0.0287 -0.0204 0.0111 192 THR D N +14362 C CA A THR D 182 ? 0.6156 0.5343 0.5470 -0.0276 -0.0196 0.0112 192 THR D CA +14363 C CA B THR D 182 ? 0.6161 0.5347 0.5475 -0.0276 -0.0196 0.0112 192 THR D CA +14364 C C A THR D 182 ? 0.6313 0.5525 0.5643 -0.0275 -0.0193 0.0119 192 THR D C +14365 C C B THR D 182 ? 0.6330 0.5542 0.5661 -0.0275 -0.0193 0.0119 192 THR D C +14366 O O A THR D 182 ? 0.6278 0.5498 0.5621 -0.0269 -0.0190 0.0123 192 THR D O +14367 O O B THR D 182 ? 0.6289 0.5509 0.5632 -0.0269 -0.0190 0.0123 192 THR D O +14368 C CB A THR D 182 ? 0.5838 0.5016 0.5139 -0.0267 -0.0188 0.0104 192 THR D CB +14369 C CB B THR D 182 ? 0.5841 0.5020 0.5143 -0.0267 -0.0188 0.0105 192 THR D CB +14370 O OG1 A THR D 182 ? 0.6014 0.5195 0.5302 -0.0271 -0.0188 0.0102 192 THR D OG1 +14371 O OG1 B THR D 182 ? 0.6013 0.5195 0.5302 -0.0271 -0.0187 0.0102 192 THR D OG1 +14372 C CG2 A THR D 182 ? 0.5322 0.4473 0.4608 -0.0264 -0.0188 0.0097 192 THR D CG2 +14373 C CG2 B THR D 182 ? 0.5320 0.4471 0.4607 -0.0264 -0.0188 0.0097 192 THR D CG2 +14374 N N . LEU D 183 ? 0.6148 0.5372 0.5477 -0.0280 -0.0195 0.0121 193 LEU D N +14375 C CA . LEU D 183 ? 0.6078 0.5323 0.5420 -0.0279 -0.0193 0.0128 193 LEU D CA +14376 C C . LEU D 183 ? 0.5893 0.5149 0.5250 -0.0283 -0.0198 0.0135 193 LEU D C +14377 O O . LEU D 183 ? 0.5619 0.4890 0.4986 -0.0281 -0.0196 0.0140 193 LEU D O +14378 C CB . LEU D 183 ? 0.5629 0.4880 0.4961 -0.0282 -0.0194 0.0127 193 LEU D CB +14379 C CG . LEU D 183 ? 0.6543 0.5809 0.5881 -0.0279 -0.0188 0.0131 193 LEU D CG +14380 C CD1 . LEU D 183 ? 0.5955 0.5220 0.5292 -0.0274 -0.0177 0.0126 193 LEU D CD1 +14381 C CD2 . LEU D 183 ? 0.5608 0.4875 0.4933 -0.0281 -0.0190 0.0132 193 LEU D CD2 +14382 N N . ASN D 184 ? 0.5822 0.5067 0.5178 -0.0289 -0.0203 0.0136 194 ASN D N +14383 C CA . ASN D 184 ? 0.5658 0.4912 0.5026 -0.0295 -0.0206 0.0143 194 ASN D CA +14384 C C . ASN D 184 ? 0.5860 0.5110 0.5233 -0.0289 -0.0202 0.0148 194 ASN D C +14385 O O . ASN D 184 ? 0.5759 0.4992 0.5127 -0.0285 -0.0201 0.0146 194 ASN D O +14386 C CB . ASN D 184 ? 0.5698 0.4942 0.5063 -0.0305 -0.0212 0.0141 194 ASN D CB +14387 C CG . ASN D 184 ? 0.5920 0.5178 0.5299 -0.0313 -0.0213 0.0148 194 ASN D CG +14388 O OD1 . ASN D 184 ? 0.6060 0.5317 0.5443 -0.0312 -0.0210 0.0154 194 ASN D OD1 +14389 N ND2 . ASN D 184 ? 0.5590 0.4860 0.4973 -0.0320 -0.0219 0.0146 194 ASN D ND2 +14390 N N . PRO D 185 ? 0.5953 0.5219 0.5336 -0.0287 -0.0201 0.0154 195 PRO D N +14391 C CA . PRO D 185 ? 0.6235 0.5497 0.5621 -0.0280 -0.0200 0.0158 195 PRO D CA +14392 C C . PRO D 185 ? 0.6901 0.6144 0.6282 -0.0283 -0.0201 0.0162 195 PRO D C +14393 O O . PRO D 185 ? 0.5724 0.4955 0.5101 -0.0275 -0.0201 0.0164 195 PRO D O +14394 C CB . PRO D 185 ? 0.5959 0.5242 0.5354 -0.0279 -0.0199 0.0164 195 PRO D CB +14395 C CG . PRO D 185 ? 0.5756 0.5049 0.5152 -0.0287 -0.0201 0.0165 195 PRO D CG +14396 C CD . PRO D 185 ? 0.4776 0.4062 0.4166 -0.0289 -0.0202 0.0157 195 PRO D CD +14397 N N . PHE D 186 ? 0.5523 0.4762 0.4903 -0.0295 -0.0203 0.0163 196 PHE D N +14398 C CA . PHE D 186 ? 0.6375 0.5593 0.5749 -0.0301 -0.0202 0.0166 196 PHE D CA +14399 C C . PHE D 186 ? 0.6300 0.5491 0.5660 -0.0298 -0.0203 0.0160 196 PHE D C +14400 O O . PHE D 186 ? 0.6422 0.5589 0.5772 -0.0295 -0.0202 0.0163 196 PHE D O +14401 C CB . PHE D 186 ? 0.5594 0.4819 0.4974 -0.0316 -0.0203 0.0168 196 PHE D CB +14402 C CG . PHE D 186 ? 0.6038 0.5284 0.5429 -0.0318 -0.0201 0.0175 196 PHE D CG +14403 C CD1 . PHE D 186 ? 0.5711 0.4949 0.5098 -0.0317 -0.0196 0.0183 196 PHE D CD1 +14404 C CD2 . PHE D 186 ? 0.5877 0.5149 0.5278 -0.0319 -0.0203 0.0173 196 PHE D CD2 +14405 C CE1 . PHE D 186 ? 0.6255 0.5511 0.5649 -0.0318 -0.0194 0.0189 196 PHE D CE1 +14406 C CE2 . PHE D 186 ? 0.5853 0.5144 0.5263 -0.0319 -0.0200 0.0179 196 PHE D CE2 +14407 C CZ . PHE D 186 ? 0.5824 0.5108 0.5231 -0.0318 -0.0195 0.0187 196 PHE D CZ +14408 N N . HIS D 187 ? 0.5858 0.5049 0.5215 -0.0298 -0.0205 0.0152 197 HIS D N +14409 C CA . HIS D 187 ? 0.6001 0.5168 0.5346 -0.0292 -0.0204 0.0146 197 HIS D CA +14410 C C . HIS D 187 ? 0.5506 0.4671 0.4849 -0.0275 -0.0202 0.0146 197 HIS D C +14411 O O . HIS D 187 ? 0.6245 0.5386 0.5577 -0.0268 -0.0201 0.0145 197 HIS D O +14412 C CB . HIS D 187 ? 0.5031 0.4200 0.4370 -0.0294 -0.0206 0.0136 197 HIS D CB +14413 C CG . HIS D 187 ? 0.6006 0.5146 0.5329 -0.0290 -0.0206 0.0129 197 HIS D CG +14414 N ND1 . HIS D 187 ? 0.5743 0.4882 0.5060 -0.0278 -0.0202 0.0122 197 HIS D ND1 +14415 C CD2 . HIS D 187 ? 0.5447 0.4557 0.4756 -0.0295 -0.0208 0.0126 197 HIS D CD2 +14416 C CE1 . HIS D 187 ? 0.6075 0.5186 0.5376 -0.0274 -0.0202 0.0116 197 HIS D CE1 +14417 N NE2 . HIS D 187 ? 0.6597 0.5687 0.5892 -0.0285 -0.0206 0.0118 197 HIS D NE2 +14418 N N . MET D 188 ? 0.5235 0.4426 0.4591 -0.0269 -0.0200 0.0146 198 MET D N +14419 C CA . MET D 188 ? 0.6590 0.5787 0.5950 -0.0254 -0.0198 0.0145 198 MET D CA +14420 C C . MET D 188 ? 0.6365 0.5548 0.5721 -0.0247 -0.0200 0.0152 198 MET D C +14421 O O . MET D 188 ? 0.5942 0.5113 0.5293 -0.0234 -0.0201 0.0149 198 MET D O +14422 C CB . MET D 188 ? 0.5912 0.5140 0.5287 -0.0252 -0.0196 0.0146 198 MET D CB +14423 C CG . MET D 188 ? 0.5823 0.5060 0.5198 -0.0255 -0.0192 0.0139 198 MET D CG +14424 S SD . MET D 188 ? 0.6211 0.5477 0.5598 -0.0258 -0.0190 0.0141 198 MET D SD +14425 C CE . MET D 188 ? 0.4818 0.4085 0.4197 -0.0260 -0.0184 0.0133 198 MET D CE +14426 N N . MET D 189 ? 0.5855 0.5039 0.5211 -0.0256 -0.0201 0.0160 199 MET D N +14427 C CA . MET D 189 ? 0.6282 0.5449 0.5629 -0.0250 -0.0203 0.0167 199 MET D CA +14428 C C . MET D 189 ? 0.6619 0.5748 0.5947 -0.0251 -0.0203 0.0166 199 MET D C +14429 O O . MET D 189 ? 0.5919 0.5027 0.5236 -0.0238 -0.0204 0.0169 199 MET D O +14430 C CB . MET D 189 ? 0.6031 0.5206 0.5381 -0.0260 -0.0202 0.0176 199 MET D CB +14431 C CG . MET D 189 ? 0.6212 0.5416 0.5574 -0.0255 -0.0203 0.0178 199 MET D CG +14432 S SD . MET D 189 ? 0.6828 0.6038 0.6190 -0.0263 -0.0201 0.0188 199 MET D SD +14433 C CE . MET D 189 ? 0.5896 0.5121 0.5268 -0.0281 -0.0198 0.0186 199 MET D CE +14434 N N . GLY D 190 ? 0.5781 0.4900 0.5106 -0.0264 -0.0202 0.0162 200 GLY D N +14435 C CA . GLY D 190 ? 0.5385 0.4466 0.4691 -0.0266 -0.0202 0.0160 200 GLY D CA +14436 C C . GLY D 190 ? 0.6065 0.5132 0.5362 -0.0248 -0.0203 0.0153 200 GLY D C +14437 O O . GLY D 190 ? 0.6097 0.5134 0.5378 -0.0239 -0.0203 0.0154 200 GLY D O +14438 N N . VAL D 191 ? 0.6554 0.5644 0.5863 -0.0243 -0.0202 0.0145 201 VAL D N +14439 C CA . VAL D 191 ? 0.5549 0.4634 0.4855 -0.0226 -0.0201 0.0138 201 VAL D CA +14440 C C . VAL D 191 ? 0.5820 0.4907 0.5128 -0.0208 -0.0203 0.0141 201 VAL D C +14441 O O . VAL D 191 ? 0.5862 0.4925 0.5158 -0.0193 -0.0204 0.0138 201 VAL D O +14442 C CB . VAL D 191 ? 0.5651 0.4765 0.4970 -0.0225 -0.0197 0.0130 201 VAL D CB +14443 C CG1 . VAL D 191 ? 0.5509 0.4624 0.4830 -0.0206 -0.0194 0.0122 201 VAL D CG1 +14444 C CG2 . VAL D 191 ? 0.4934 0.4041 0.4245 -0.0239 -0.0197 0.0125 201 VAL D CG2 +14445 N N A ALA D 192 ? 0.5741 0.4854 0.5064 -0.0208 -0.0204 0.0147 202 ALA D N +14446 N N B ALA D 192 ? 0.5733 0.4847 0.5056 -0.0208 -0.0204 0.0147 202 ALA D N +14447 C CA A ALA D 192 ? 0.6723 0.5840 0.6048 -0.0190 -0.0208 0.0150 202 ALA D CA +14448 C CA B ALA D 192 ? 0.6746 0.5862 0.6071 -0.0191 -0.0208 0.0150 202 ALA D CA +14449 C C A ALA D 192 ? 0.6582 0.5658 0.5882 -0.0185 -0.0211 0.0157 202 ALA D C +14450 C C B ALA D 192 ? 0.6600 0.5676 0.5900 -0.0186 -0.0211 0.0157 202 ALA D C +14451 O O A ALA D 192 ? 0.6587 0.5650 0.5879 -0.0166 -0.0215 0.0155 202 ALA D O +14452 O O B ALA D 192 ? 0.6612 0.5673 0.5904 -0.0167 -0.0215 0.0155 202 ALA D O +14453 C CB A ALA D 192 ? 0.5560 0.4709 0.4901 -0.0193 -0.0210 0.0155 202 ALA D CB +14454 C CB B ALA D 192 ? 0.5529 0.4676 0.4869 -0.0195 -0.0210 0.0156 202 ALA D CB +14455 N N A GLY D 193 ? 0.6255 0.5311 0.5543 -0.0202 -0.0209 0.0164 203 GLY D N +14456 N N B GLY D 193 ? 0.6256 0.5312 0.5544 -0.0203 -0.0209 0.0164 203 GLY D N +14457 C CA A GLY D 193 ? 0.5467 0.4480 0.4728 -0.0200 -0.0210 0.0171 203 GLY D CA +14458 C CA B GLY D 193 ? 0.5456 0.4469 0.4717 -0.0201 -0.0210 0.0171 203 GLY D CA +14459 C C A GLY D 193 ? 0.6528 0.5504 0.5770 -0.0193 -0.0210 0.0165 203 GLY D C +14460 C C B GLY D 193 ? 0.6548 0.5523 0.5789 -0.0193 -0.0210 0.0165 203 GLY D C +14461 O O A GLY D 193 ? 0.6003 0.4946 0.5223 -0.0178 -0.0213 0.0168 203 GLY D O +14462 O O B GLY D 193 ? 0.5991 0.4933 0.5211 -0.0179 -0.0213 0.0168 203 GLY D O +14463 N N A VAL D 194 ? 0.5967 0.4945 0.5213 -0.0202 -0.0207 0.0157 204 VAL D N +14464 N N B VAL D 194 ? 0.5960 0.4937 0.5206 -0.0202 -0.0207 0.0156 204 VAL D N +14465 C CA A VAL D 194 ? 0.6128 0.5067 0.5352 -0.0196 -0.0207 0.0150 204 VAL D CA +14466 C CA B VAL D 194 ? 0.6134 0.5072 0.5358 -0.0196 -0.0207 0.0150 204 VAL D CA +14467 C C A VAL D 194 ? 0.6129 0.5073 0.5356 -0.0169 -0.0209 0.0143 204 VAL D C +14468 C C B VAL D 194 ? 0.6140 0.5082 0.5366 -0.0169 -0.0209 0.0143 204 VAL D C +14469 O O A VAL D 194 ? 0.6827 0.5736 0.6033 -0.0154 -0.0211 0.0142 204 VAL D O +14470 O O B VAL D 194 ? 0.6861 0.5767 0.6066 -0.0153 -0.0211 0.0143 204 VAL D O +14471 C CB A VAL D 194 ? 0.6089 0.5027 0.5315 -0.0213 -0.0204 0.0143 204 VAL D CB +14472 C CB B VAL D 194 ? 0.6104 0.5041 0.5330 -0.0213 -0.0204 0.0142 204 VAL D CB +14473 C CG1 A VAL D 194 ? 0.5644 0.4550 0.4851 -0.0203 -0.0204 0.0133 204 VAL D CG1 +14474 C CG1 B VAL D 194 ? 0.5629 0.4531 0.4834 -0.0203 -0.0204 0.0133 204 VAL D CG1 +14475 C CG2 A VAL D 194 ? 0.6004 0.4927 0.5223 -0.0238 -0.0203 0.0148 204 VAL D CG2 +14476 C CG2 B VAL D 194 ? 0.6006 0.4930 0.5225 -0.0239 -0.0203 0.0148 204 VAL D CG2 +14477 N N A LEU D 195 ? 0.6131 0.5120 0.5385 -0.0163 -0.0208 0.0137 205 LEU D N +14478 N N B LEU D 195 ? 0.6139 0.5126 0.5392 -0.0163 -0.0208 0.0137 205 LEU D N +14479 C CA A LEU D 195 ? 0.6435 0.5436 0.5697 -0.0138 -0.0209 0.0130 205 LEU D CA +14480 C CA B LEU D 195 ? 0.6440 0.5440 0.5702 -0.0138 -0.0209 0.0129 205 LEU D CA +14481 C C A LEU D 195 ? 0.6545 0.5546 0.5806 -0.0120 -0.0216 0.0135 205 LEU D C +14482 C C B LEU D 195 ? 0.6561 0.5562 0.5822 -0.0120 -0.0216 0.0135 205 LEU D C +14483 O O A LEU D 195 ? 0.6192 0.5178 0.5445 -0.0097 -0.0220 0.0131 205 LEU D O +14484 O O B LEU D 195 ? 0.6189 0.5176 0.5443 -0.0097 -0.0220 0.0131 205 LEU D O +14485 C CB A LEU D 195 ? 0.6861 0.5909 0.6152 -0.0139 -0.0205 0.0122 205 LEU D CB +14486 C CB B LEU D 195 ? 0.6877 0.5924 0.6167 -0.0140 -0.0205 0.0122 205 LEU D CB +14487 C CG A LEU D 195 ? 0.7084 0.6132 0.6373 -0.0152 -0.0198 0.0114 205 LEU D CG +14488 C CG B LEU D 195 ? 0.7100 0.6148 0.6389 -0.0153 -0.0198 0.0114 205 LEU D CG +14489 C CD1 A LEU D 195 ? 0.6428 0.5520 0.5743 -0.0150 -0.0193 0.0107 205 LEU D CD1 +14490 C CD1 B LEU D 195 ? 0.6421 0.5513 0.5735 -0.0152 -0.0193 0.0108 205 LEU D CD1 +14491 C CD2 A LEU D 195 ? 0.6257 0.5266 0.5523 -0.0144 -0.0197 0.0107 205 LEU D CD2 +14492 C CD2 B LEU D 195 ? 0.6259 0.5267 0.5524 -0.0144 -0.0197 0.0107 205 LEU D CD2 +14493 N N A GLY D 196 ? 0.5984 0.5002 0.5253 -0.0128 -0.0219 0.0144 206 GLY D N +14494 N N B GLY D 196 ? 0.5982 0.4999 0.5250 -0.0128 -0.0219 0.0144 206 GLY D N +14495 C CA A GLY D 196 ? 0.5547 0.4560 0.4809 -0.0111 -0.0227 0.0151 206 GLY D CA +14496 C CA B GLY D 196 ? 0.5525 0.4538 0.4787 -0.0112 -0.0227 0.0150 206 GLY D CA +14497 C C A GLY D 196 ? 0.6661 0.5617 0.5886 -0.0104 -0.0229 0.0157 206 GLY D C +14498 C C B GLY D 196 ? 0.6694 0.5650 0.5919 -0.0104 -0.0229 0.0157 206 GLY D C +14499 O O A GLY D 196 ? 0.6708 0.5651 0.5922 -0.0081 -0.0236 0.0158 206 GLY D O +14500 O O B GLY D 196 ? 0.6740 0.5683 0.5955 -0.0080 -0.0236 0.0157 206 GLY D O +14501 N N A GLY D 197 ? 0.6248 0.5170 0.5453 -0.0124 -0.0224 0.0161 207 GLY D N +14502 N N B GLY D 197 ? 0.6261 0.5183 0.5466 -0.0124 -0.0224 0.0161 207 GLY D N +14503 C CA A GLY D 197 ? 0.6035 0.4898 0.5202 -0.0120 -0.0224 0.0167 207 GLY D CA +14504 C CA B GLY D 197 ? 0.6028 0.4890 0.5195 -0.0119 -0.0224 0.0167 207 GLY D CA +14505 C C A GLY D 197 ? 0.6659 0.5496 0.5813 -0.0099 -0.0226 0.0158 207 GLY D C +14506 C C B GLY D 197 ? 0.6679 0.5515 0.5833 -0.0098 -0.0226 0.0158 207 GLY D C +14507 O O A GLY D 197 ? 0.6668 0.5469 0.5796 -0.0078 -0.0231 0.0161 207 GLY D O +14508 O O B GLY D 197 ? 0.6693 0.5491 0.5819 -0.0079 -0.0231 0.0161 207 GLY D O +14509 N N A ALA D 198 ? 0.5910 0.4762 0.5078 -0.0102 -0.0222 0.0147 208 ALA D N +14510 N N B ALA D 198 ? 0.5896 0.4750 0.5065 -0.0101 -0.0222 0.0147 208 ALA D N +14511 C CA A ALA D 198 ? 0.6635 0.5468 0.5793 -0.0080 -0.0223 0.0137 208 ALA D CA +14512 C CA B ALA D 198 ? 0.6650 0.5482 0.5807 -0.0079 -0.0223 0.0137 208 ALA D CA +14513 C C A ALA D 198 ? 0.6390 0.5247 0.5561 -0.0049 -0.0230 0.0134 208 ALA D C +14514 C C B ALA D 198 ? 0.6387 0.5244 0.5558 -0.0048 -0.0230 0.0133 208 ALA D C +14515 O O A ALA D 198 ? 0.6614 0.5439 0.5764 -0.0025 -0.0234 0.0131 208 ALA D O +14516 O O B ALA D 198 ? 0.6636 0.5461 0.5787 -0.0024 -0.0234 0.0131 208 ALA D O +14517 C CB A ALA D 198 ? 0.5661 0.4514 0.4834 -0.0088 -0.0216 0.0125 208 ALA D CB +14518 C CB B ALA D 198 ? 0.5647 0.4497 0.4819 -0.0088 -0.0216 0.0125 208 ALA D CB +14519 N N A LEU D 199 ? 0.6266 0.5179 0.5472 -0.0050 -0.0231 0.0133 209 LEU D N +14520 N N B LEU D 199 ? 0.6258 0.5171 0.5464 -0.0048 -0.0231 0.0132 209 LEU D N +14521 C CA A LEU D 199 ? 0.6047 0.4989 0.5270 -0.0023 -0.0239 0.0129 209 LEU D CA +14522 C CA B LEU D 199 ? 0.6043 0.4986 0.5267 -0.0021 -0.0239 0.0129 209 LEU D CA +14523 C C A LEU D 199 ? 0.6654 0.5561 0.5849 -0.0006 -0.0249 0.0139 209 LEU D C +14524 C C B LEU D 199 ? 0.6674 0.5581 0.5869 -0.0004 -0.0249 0.0138 209 LEU D C +14525 O O A LEU D 199 ? 0.6632 0.5528 0.5819 0.0023 -0.0256 0.0135 209 LEU D O +14526 O O B LEU D 199 ? 0.6641 0.5540 0.5830 0.0025 -0.0257 0.0134 209 LEU D O +14527 C CB A LEU D 199 ? 0.5524 0.4528 0.4787 -0.0032 -0.0239 0.0127 209 LEU D CB +14528 C CB B LEU D 199 ? 0.5510 0.4514 0.4772 -0.0031 -0.0239 0.0127 209 LEU D CB +14529 C CG A LEU D 199 ? 0.6026 0.5075 0.5317 -0.0010 -0.0247 0.0121 209 LEU D CG +14530 C CG B LEU D 199 ? 0.6026 0.5074 0.5317 -0.0009 -0.0247 0.0121 209 LEU D CG +14531 C CD1 A LEU D 199 ? 0.5685 0.4791 0.5015 -0.0026 -0.0242 0.0117 209 LEU D CD1 +14532 C CD1 B LEU D 199 ? 0.5676 0.4783 0.5006 -0.0024 -0.0242 0.0116 209 LEU D CD1 +14533 C CD2 A LEU D 199 ? 0.6103 0.5136 0.5377 0.0003 -0.0260 0.0131 209 LEU D CD2 +14534 C CD2 B LEU D 199 ? 0.6113 0.5149 0.5390 0.0004 -0.0260 0.0130 209 LEU D CD2 +14535 N N A LEU D 200 ? 0.6098 0.4987 0.5277 -0.0023 -0.0249 0.0151 210 LEU D N +14536 N N B LEU D 200 ? 0.6075 0.4963 0.5253 -0.0022 -0.0250 0.0151 210 LEU D N +14537 C CA A LEU D 200 ? 0.6014 0.4866 0.5161 -0.0009 -0.0258 0.0162 210 LEU D CA +14538 C CA B LEU D 200 ? 0.6000 0.4853 0.5148 -0.0007 -0.0258 0.0161 210 LEU D CA +14539 C C A LEU D 200 ? 0.7012 0.5800 0.6119 0.0005 -0.0258 0.0163 210 LEU D C +14540 C C B LEU D 200 ? 0.7035 0.5823 0.6142 0.0007 -0.0259 0.0162 210 LEU D C +14541 O O A LEU D 200 ? 0.6711 0.5474 0.5796 0.0032 -0.0268 0.0165 210 LEU D O +14542 O O B LEU D 200 ? 0.6694 0.5459 0.5780 0.0035 -0.0268 0.0164 210 LEU D O +14543 C CB A LEU D 200 ? 0.6177 0.5020 0.5313 -0.0033 -0.0254 0.0175 210 LEU D CB +14544 C CB B LEU D 200 ? 0.6168 0.5011 0.5304 -0.0031 -0.0255 0.0174 210 LEU D CB +14545 C CG A LEU D 200 ? 0.6597 0.5493 0.5762 -0.0040 -0.0258 0.0177 210 LEU D CG +14546 C CG B LEU D 200 ? 0.6625 0.5520 0.5789 -0.0037 -0.0258 0.0177 210 LEU D CG +14547 C CD1 A LEU D 200 ? 0.6314 0.5199 0.5469 -0.0067 -0.0250 0.0188 210 LEU D CD1 +14548 C CD1 B LEU D 200 ? 0.6326 0.5211 0.5481 -0.0066 -0.0251 0.0188 210 LEU D CD1 +14549 C CD2 A LEU D 200 ? 0.6641 0.5545 0.5804 -0.0012 -0.0271 0.0178 210 LEU D CD2 +14550 C CD2 B LEU D 200 ? 0.6603 0.5498 0.5759 -0.0010 -0.0272 0.0179 210 LEU D CD2 +14551 N N A CYS D 201 ? 0.6567 0.5325 0.5660 -0.0014 -0.0249 0.0161 211 CYS D N +14552 N N B CYS D 201 ? 0.6582 0.5339 0.5674 -0.0012 -0.0249 0.0161 211 CYS D N +14553 C CA A CYS D 201 ? 0.6860 0.5553 0.5912 -0.0003 -0.0248 0.0161 211 CYS D CA +14554 C CA B CYS D 201 ? 0.6872 0.5565 0.5925 -0.0001 -0.0248 0.0161 211 CYS D CA +14555 C C A CYS D 201 ? 0.6820 0.5517 0.5876 0.0033 -0.0255 0.0150 211 CYS D C +14556 C C B CYS D 201 ? 0.6828 0.5527 0.5885 0.0035 -0.0255 0.0149 211 CYS D C +14557 O O A CYS D 201 ? 0.6847 0.5502 0.5871 0.0059 -0.0262 0.0153 211 CYS D O +14558 O O B CYS D 201 ? 0.6825 0.5481 0.5851 0.0060 -0.0262 0.0152 211 CYS D O +14559 C CB A CYS D 201 ? 0.6511 0.5183 0.5557 -0.0030 -0.0237 0.0157 211 CYS D CB +14560 C CB B CYS D 201 ? 0.6513 0.5186 0.5560 -0.0028 -0.0238 0.0157 211 CYS D CB +14561 S SG A CYS D 201 ? 0.6892 0.5476 0.5883 -0.0025 -0.0235 0.0158 211 CYS D SG +14562 S SG B CYS D 201 ? 0.6860 0.5445 0.5852 -0.0023 -0.0235 0.0157 211 CYS D SG +14563 N N A ALA D 202 ? 0.6902 0.5650 0.5996 0.0037 -0.0252 0.0137 212 ALA D N +14564 N N B ALA D 202 ? 0.6914 0.5666 0.6011 0.0037 -0.0252 0.0136 212 ALA D N +14565 C CA A ALA D 202 ? 0.6390 0.5148 0.5493 0.0070 -0.0256 0.0125 212 ALA D CA +14566 C CA B ALA D 202 ? 0.6388 0.5150 0.5493 0.0070 -0.0256 0.0124 212 ALA D CA +14567 C C A ALA D 202 ? 0.6718 0.5499 0.5830 0.0099 -0.0269 0.0126 212 ALA D C +14568 C C B ALA D 202 ? 0.6725 0.5509 0.5840 0.0100 -0.0269 0.0125 212 ALA D C +14569 O O A ALA D 202 ? 0.6925 0.5679 0.6018 0.0131 -0.0277 0.0123 212 ALA D O +14570 O O B ALA D 202 ? 0.6967 0.5725 0.6063 0.0132 -0.0277 0.0122 212 ALA D O +14571 C CB A ALA D 202 ? 0.5868 0.4680 0.5011 0.0064 -0.0248 0.0111 212 ALA D CB +14572 C CB B ALA D 202 ? 0.5826 0.4644 0.4973 0.0063 -0.0248 0.0111 212 ALA D CB +14573 N N A ILE D 203 ? 0.6355 0.5183 0.5495 0.0089 -0.0273 0.0130 213 ILE D N +14574 N N B ILE D 203 ? 0.6341 0.5169 0.5481 0.0090 -0.0273 0.0130 213 ILE D N +14575 C CA A ILE D 203 ? 0.7512 0.6371 0.6667 0.0116 -0.0287 0.0129 213 ILE D CA +14576 C CA B ILE D 203 ? 0.7536 0.6396 0.6692 0.0118 -0.0287 0.0128 213 ILE D CA +14577 C C A ILE D 203 ? 0.6960 0.5764 0.6069 0.0132 -0.0298 0.0141 213 ILE D C +14578 C C B ILE D 203 ? 0.6950 0.5756 0.6061 0.0135 -0.0298 0.0140 213 ILE D C +14579 O O A ILE D 203 ? 0.6442 0.5247 0.5547 0.0165 -0.0311 0.0138 213 ILE D O +14580 O O B ILE D 203 ? 0.6382 0.5189 0.5490 0.0169 -0.0311 0.0136 213 ILE D O +14581 C CB A ILE D 203 ? 0.6884 0.5809 0.6082 0.0100 -0.0288 0.0128 213 ILE D CB +14582 C CB B ILE D 203 ? 0.6892 0.5819 0.6091 0.0102 -0.0288 0.0127 213 ILE D CB +14583 C CG1 A ILE D 203 ? 0.7037 0.6013 0.6267 0.0128 -0.0300 0.0118 213 ILE D CG1 +14584 C CG1 B ILE D 203 ? 0.7040 0.6014 0.6269 0.0130 -0.0301 0.0119 213 ILE D CG1 +14585 C CG2 A ILE D 203 ? 0.6700 0.5610 0.5880 0.0079 -0.0289 0.0143 213 ILE D CG2 +14586 C CG2 B ILE D 203 ? 0.6708 0.5616 0.5888 0.0078 -0.0288 0.0142 213 ILE D CG2 +14587 C CD1 A ILE D 203 ? 0.6599 0.5643 0.5876 0.0111 -0.0299 0.0114 213 ILE D CD1 +14588 C CD1 B ILE D 203 ? 0.6635 0.5677 0.5910 0.0114 -0.0301 0.0115 213 ILE D CD1 +14589 N N A HIS D 204 ? 0.6746 0.5503 0.5821 0.0109 -0.0292 0.0155 214 HIS D N +14590 N N B HIS D 204 ? 0.6782 0.5541 0.5858 0.0112 -0.0293 0.0154 214 HIS D N +14591 C CA A HIS D 204 ? 0.6654 0.5352 0.5679 0.0122 -0.0300 0.0167 214 HIS D CA +14592 C CA B HIS D 204 ? 0.6665 0.5365 0.5691 0.0127 -0.0301 0.0166 214 HIS D CA +14593 C C A HIS D 204 ? 0.7410 0.6049 0.6397 0.0148 -0.0302 0.0165 214 HIS D C +14594 C C B HIS D 204 ? 0.7438 0.6078 0.6426 0.0151 -0.0303 0.0164 214 HIS D C +14595 O O A HIS D 204 ? 0.6961 0.5577 0.5925 0.0181 -0.0315 0.0166 214 HIS D O +14596 O O B HIS D 204 ? 0.6962 0.5574 0.5924 0.0183 -0.0316 0.0166 214 HIS D O +14597 C CB A HIS D 204 ? 0.6272 0.4933 0.5269 0.0089 -0.0290 0.0182 214 HIS D CB +14598 C CB B HIS D 204 ? 0.6255 0.4921 0.5255 0.0094 -0.0292 0.0181 214 HIS D CB +14599 C CG A HIS D 204 ? 0.7404 0.5999 0.6346 0.0100 -0.0295 0.0196 214 HIS D CG +14600 C CG B HIS D 204 ? 0.7442 0.6041 0.6386 0.0105 -0.0297 0.0195 214 HIS D CG +14601 N ND1 A HIS D 204 ? 0.6445 0.5041 0.5375 0.0127 -0.0310 0.0200 214 HIS D ND1 +14602 N ND1 B HIS D 204 ? 0.6320 0.4921 0.5252 0.0133 -0.0313 0.0199 214 HIS D ND1 +14603 C CD2 A HIS D 204 ? 0.6428 0.4950 0.5321 0.0087 -0.0287 0.0207 214 HIS D CD2 +14604 C CD2 B HIS D 204 ? 0.6447 0.4973 0.5341 0.0093 -0.0289 0.0206 214 HIS D CD2 +14605 C CE1 A HIS D 204 ? 0.6733 0.5259 0.5606 0.0132 -0.0310 0.0214 214 HIS D CE1 +14606 C CE1 B HIS D 204 ? 0.6727 0.5257 0.5602 0.0138 -0.0313 0.0213 214 HIS D CE1 +14607 N NE2 A HIS D 204 ? 0.7443 0.5922 0.6293 0.0107 -0.0296 0.0218 214 HIS D NE2 +14608 N NE2 B HIS D 204 ? 0.7408 0.5891 0.6260 0.0113 -0.0298 0.0217 214 HIS D NE2 +14609 N N A GLY D 205 ? 0.6464 0.5079 0.5445 0.0134 -0.0291 0.0159 215 GLY D N +14610 N N B GLY D 205 ? 0.6463 0.5079 0.5445 0.0136 -0.0291 0.0159 215 GLY D N +14611 C CA A GLY D 205 ? 0.6647 0.5203 0.5591 0.0158 -0.0292 0.0156 215 GLY D CA +14612 C CA B GLY D 205 ? 0.6645 0.5203 0.5590 0.0159 -0.0292 0.0155 215 GLY D CA +14613 C C A GLY D 205 ? 0.7346 0.5932 0.6309 0.0199 -0.0303 0.0143 215 GLY D C +14614 C C B GLY D 205 ? 0.7368 0.5955 0.6333 0.0200 -0.0302 0.0142 215 GLY D C +14615 O O A GLY D 205 ? 0.6938 0.5480 0.5867 0.0232 -0.0313 0.0145 215 GLY D O +14616 O O B GLY D 205 ? 0.6958 0.5501 0.5889 0.0232 -0.0311 0.0143 215 GLY D O +14617 N N A ALA D 206 ? 0.6670 0.5330 0.5689 0.0199 -0.0301 0.0130 216 ALA D N +14618 N N B ALA D 206 ? 0.6660 0.5324 0.5682 0.0200 -0.0301 0.0129 216 ALA D N +14619 C CA A ALA D 206 ? 0.6412 0.5111 0.5458 0.0237 -0.0310 0.0116 216 ALA D CA +14620 C CA B ALA D 206 ? 0.6410 0.5112 0.5459 0.0237 -0.0310 0.0115 216 ALA D CA +14621 C C A ALA D 206 ? 0.7586 0.6300 0.6633 0.0264 -0.0328 0.0120 216 ALA D C +14622 C C B ALA D 206 ? 0.7623 0.6338 0.6671 0.0266 -0.0328 0.0119 216 ALA D C +14623 O O A ALA D 206 ? 0.6755 0.5465 0.5797 0.0304 -0.0340 0.0113 216 ALA D O +14624 O O B ALA D 206 ? 0.6760 0.5467 0.5800 0.0305 -0.0340 0.0113 216 ALA D O +14625 C CB A ALA D 206 ? 0.6096 0.4873 0.5203 0.0225 -0.0301 0.0102 216 ALA D CB +14626 C CB B ALA D 206 ? 0.6074 0.4856 0.5184 0.0226 -0.0302 0.0102 216 ALA D CB +14627 N N A THR D 207 ? 0.6420 0.5155 0.5474 0.0246 -0.0332 0.0130 217 THR D N +14628 N N B THR D 207 ? 0.6403 0.5139 0.5458 0.0248 -0.0333 0.0129 217 THR D N +14629 C CA A THR D 207 ? 0.7048 0.5797 0.6100 0.0271 -0.0351 0.0133 217 THR D CA +14630 C CA B THR D 207 ? 0.7045 0.5797 0.6099 0.0273 -0.0351 0.0132 217 THR D CA +14631 C C A THR D 207 ? 0.7536 0.6205 0.6524 0.0297 -0.0361 0.0143 217 THR D C +14632 C C B THR D 207 ? 0.7560 0.6232 0.6550 0.0298 -0.0361 0.0143 217 THR D C +14633 O O A THR D 207 ? 0.7171 0.5842 0.6154 0.0336 -0.0378 0.0139 217 THR D O +14634 O O B THR D 207 ? 0.7176 0.5849 0.6161 0.0338 -0.0378 0.0138 217 THR D O +14635 C CB A THR D 207 ? 0.6913 0.5690 0.5977 0.0243 -0.0351 0.0143 217 THR D CB +14636 C CB B THR D 207 ? 0.6935 0.5720 0.6006 0.0246 -0.0352 0.0141 217 THR D CB +14637 O OG1 A THR D 207 ? 0.7193 0.6046 0.6317 0.0224 -0.0345 0.0132 217 THR D OG1 +14638 O OG1 B THR D 207 ? 0.7296 0.6157 0.6427 0.0227 -0.0345 0.0130 217 THR D OG1 +14639 C CG2 A THR D 207 ? 0.6291 0.5072 0.5344 0.0269 -0.0371 0.0147 217 THR D CG2 +14640 C CG2 B THR D 207 ? 0.6259 0.5051 0.5321 0.0271 -0.0372 0.0144 217 THR D CG2 +14641 N N A VAL D 208 ? 0.6727 0.5326 0.5666 0.0276 -0.0350 0.0157 218 VAL D N +14642 N N B VAL D 208 ? 0.6723 0.5326 0.5664 0.0276 -0.0351 0.0157 218 VAL D N +14643 C CA A VAL D 208 ? 0.6893 0.5407 0.5765 0.0297 -0.0357 0.0168 218 VAL D CA +14644 C CA B VAL D 208 ? 0.6875 0.5392 0.5750 0.0297 -0.0358 0.0168 218 VAL D CA +14645 C C A VAL D 208 ? 0.7678 0.6167 0.6538 0.0335 -0.0363 0.0157 218 VAL D C +14646 C C B VAL D 208 ? 0.7705 0.6198 0.6567 0.0335 -0.0363 0.0157 218 VAL D C +14647 O O A VAL D 208 ? 0.7273 0.5740 0.6108 0.0374 -0.0379 0.0158 218 VAL D O +14648 O O B VAL D 208 ? 0.7279 0.5748 0.6115 0.0374 -0.0379 0.0158 218 VAL D O +14649 C CB A VAL D 208 ? 0.7044 0.5490 0.5872 0.0261 -0.0341 0.0183 218 VAL D CB +14650 C CB B VAL D 208 ? 0.7044 0.5493 0.5874 0.0261 -0.0341 0.0182 218 VAL D CB +14651 C CG1 A VAL D 208 ? 0.6833 0.5182 0.5588 0.0282 -0.0344 0.0192 218 VAL D CG1 +14652 C CG1 B VAL D 208 ? 0.6817 0.5171 0.5577 0.0282 -0.0344 0.0191 218 VAL D CG1 +14653 C CG2 A VAL D 208 ? 0.6706 0.5168 0.5535 0.0233 -0.0339 0.0195 218 VAL D CG2 +14654 C CG2 B VAL D 208 ? 0.6698 0.5159 0.5526 0.0233 -0.0339 0.0195 218 VAL D CG2 +14655 N N A GLU D 209 ? 0.6726 0.5221 0.5603 0.0325 -0.0350 0.0146 219 GLU D N +14656 N N B GLU D 209 ? 0.6706 0.5209 0.5589 0.0325 -0.0350 0.0146 219 GLU D N +14657 C CA A GLU D 209 ? 0.7463 0.5931 0.6327 0.0360 -0.0352 0.0136 219 GLU D CA +14658 C CA B GLU D 209 ? 0.7466 0.5941 0.6334 0.0358 -0.0352 0.0135 219 GLU D CA +14659 C C A GLU D 209 ? 0.7426 0.5958 0.6332 0.0401 -0.0368 0.0121 219 GLU D C +14660 C C B GLU D 209 ? 0.7427 0.5961 0.6334 0.0401 -0.0368 0.0121 219 GLU D C +14661 O O A GLU D 209 ? 0.7589 0.6097 0.6479 0.0438 -0.0374 0.0113 219 GLU D O +14662 O O B GLU D 209 ? 0.7610 0.6116 0.6498 0.0438 -0.0375 0.0114 219 GLU D O +14663 C CB A GLU D 209 ? 0.7129 0.5598 0.6007 0.0337 -0.0334 0.0126 219 GLU D CB +14664 C CB B GLU D 209 ? 0.7106 0.5582 0.5989 0.0336 -0.0334 0.0126 219 GLU D CB +14665 C CG A GLU D 209 ? 0.7941 0.6328 0.6765 0.0309 -0.0322 0.0138 219 GLU D CG +14666 C CG B GLU D 209 ? 0.7950 0.6343 0.6779 0.0309 -0.0322 0.0137 219 GLU D CG +14667 C CD A GLU D 209 ? 0.8460 0.6757 0.7218 0.0338 -0.0329 0.0143 219 GLU D CD +14668 C CD B GLU D 209 ? 0.8526 0.6832 0.7291 0.0340 -0.0328 0.0141 219 GLU D CD +14669 O OE1 A GLU D 209 ? 0.8438 0.6717 0.7189 0.0364 -0.0328 0.0132 219 GLU D OE1 +14670 O OE1 B GLU D 209 ? 0.8403 0.6703 0.7168 0.0371 -0.0330 0.0128 219 GLU D OE1 +14671 O OE2 A GLU D 209 ? 0.8128 0.6373 0.6841 0.0337 -0.0334 0.0159 219 GLU D OE2 +14672 O OE2 B GLU D 209 ? 0.8220 0.6461 0.6933 0.0334 -0.0330 0.0157 219 GLU D OE2 +14673 N N A ASN D 210 ? 0.7057 0.5669 0.6016 0.0395 -0.0374 0.0117 220 ASN D N +14674 N N B ASN D 210 ? 0.7057 0.5674 0.6019 0.0396 -0.0374 0.0116 220 ASN D N +14675 C CA A ASN D 210 ? 0.7209 0.5887 0.6213 0.0431 -0.0388 0.0102 220 ASN D CA +14676 C CA B ASN D 210 ? 0.7207 0.5888 0.6213 0.0433 -0.0389 0.0101 220 ASN D CA +14677 C C A ASN D 210 ? 0.7421 0.6116 0.6422 0.0450 -0.0410 0.0107 220 ASN D C +14678 C C B ASN D 210 ? 0.7438 0.6134 0.6441 0.0454 -0.0411 0.0106 220 ASN D C +14679 O O A ASN D 210 ? 0.7348 0.6110 0.6395 0.0475 -0.0424 0.0095 220 ASN D O +14680 O O B ASN D 210 ? 0.7376 0.6137 0.6423 0.0480 -0.0425 0.0093 220 ASN D O +14681 C CB A ASN D 210 ? 0.7105 0.5872 0.6181 0.0413 -0.0377 0.0087 220 ASN D CB +14682 C CB B ASN D 210 ? 0.7103 0.5873 0.6181 0.0414 -0.0378 0.0086 220 ASN D CB +14683 C CG A ASN D 210 ? 0.7961 0.6716 0.7040 0.0408 -0.0360 0.0077 220 ASN D CG +14684 C CG B ASN D 210 ? 0.7998 0.6757 0.7080 0.0408 -0.0360 0.0076 220 ASN D CG +14685 O OD1 A ASN D 210 ? 0.7609 0.6380 0.6703 0.0440 -0.0362 0.0063 220 ASN D OD1 +14686 O OD1 B ASN D 210 ? 0.7644 0.6422 0.6744 0.0440 -0.0361 0.0062 220 ASN D OD1 +14687 N ND2 A ASN D 210 ? 0.6870 0.5597 0.5935 0.0368 -0.0342 0.0084 220 ASN D ND2 +14688 N ND2 B ASN D 210 ? 0.6871 0.5600 0.5936 0.0369 -0.0343 0.0083 220 ASN D ND2 +14689 N N A THR D 211 ? 0.6564 0.5198 0.5512 0.0440 -0.0414 0.0126 221 THR D N +14690 N N B THR D 211 ? 0.6534 0.5170 0.5483 0.0442 -0.0414 0.0125 221 THR D N +14691 C CA A THR D 211 ? 0.7852 0.6484 0.6781 0.0464 -0.0435 0.0133 221 THR D CA +14692 C CA B THR D 211 ? 0.7868 0.6500 0.6798 0.0465 -0.0435 0.0132 221 THR D CA +14693 C C A THR D 211 ? 0.7422 0.5951 0.6269 0.0484 -0.0441 0.0147 221 THR D C +14694 C C B THR D 211 ? 0.7420 0.5949 0.6267 0.0485 -0.0441 0.0147 221 THR D C +14695 O O A THR D 211 ? 0.7447 0.5949 0.6258 0.0493 -0.0455 0.0159 221 THR D O +14696 O O B THR D 211 ? 0.7455 0.5955 0.6266 0.0491 -0.0453 0.0160 221 THR D O +14697 C CB A THR D 211 ? 0.7049 0.5716 0.5996 0.0431 -0.0435 0.0141 221 THR D CB +14698 C CB B THR D 211 ? 0.7051 0.5718 0.5998 0.0431 -0.0434 0.0140 221 THR D CB +14699 O OG1 A THR D 211 ? 0.7134 0.5751 0.6047 0.0391 -0.0416 0.0156 221 THR D OG1 +14700 O OG1 B THR D 211 ? 0.7125 0.5739 0.6038 0.0391 -0.0415 0.0155 221 THR D OG1 +14701 C CG2 A THR D 211 ? 0.6674 0.5443 0.5702 0.0415 -0.0431 0.0125 221 THR D CG2 +14702 C CG2 B THR D 211 ? 0.6668 0.5435 0.5695 0.0416 -0.0431 0.0125 221 THR D CG2 +14703 N N A LEU D 212 ? 0.7340 0.5810 0.6154 0.0491 -0.0431 0.0147 222 LEU D N +14704 N N B LEU D 212 ? 0.7347 0.5818 0.6162 0.0494 -0.0432 0.0146 222 LEU D N +14705 C CA A LEU D 212 ? 0.8171 0.6537 0.6904 0.0510 -0.0435 0.0160 222 LEU D CA +14706 C CA B LEU D 212 ? 0.8200 0.6568 0.6934 0.0511 -0.0435 0.0159 222 LEU D CA +14707 C C A LEU D 212 ? 0.8171 0.6527 0.6882 0.0563 -0.0461 0.0159 222 LEU D C +14708 C C B LEU D 212 ? 0.8197 0.6552 0.6907 0.0565 -0.0462 0.0158 222 LEU D C +14709 O O A LEU D 212 ? 0.7448 0.5867 0.6204 0.0595 -0.0475 0.0142 222 LEU D O +14710 O O B LEU D 212 ? 0.7440 0.5859 0.6196 0.0597 -0.0476 0.0142 222 LEU D O +14711 C CB A LEU D 212 ? 0.7708 0.6024 0.6419 0.0513 -0.0421 0.0155 222 LEU D CB +14712 C CB B LEU D 212 ? 0.7713 0.6028 0.6424 0.0512 -0.0421 0.0155 222 LEU D CB +14713 C CG A LEU D 212 ? 0.7611 0.5917 0.6330 0.0464 -0.0396 0.0156 222 LEU D CG +14714 C CG B LEU D 212 ? 0.7601 0.5910 0.6322 0.0462 -0.0396 0.0156 222 LEU D CG +14715 C CD1 A LEU D 212 ? 0.7531 0.5786 0.6225 0.0476 -0.0387 0.0148 222 LEU D CD1 +14716 C CD1 B LEU D 212 ? 0.7503 0.5764 0.6202 0.0472 -0.0386 0.0148 222 LEU D CD1 +14717 C CD2 A LEU D 212 ? 0.7711 0.5958 0.6383 0.0427 -0.0386 0.0176 222 LEU D CD2 +14718 C CD2 B LEU D 212 ? 0.7696 0.5948 0.6372 0.0425 -0.0386 0.0176 222 LEU D CD2 +14719 N N A PHE D 213 ? 0.7167 0.5440 0.5804 0.0572 -0.0468 0.0176 223 PHE D N +14720 N N B PHE D 213 ? 0.7158 0.5433 0.5797 0.0574 -0.0468 0.0176 223 PHE D N +14721 C CA A PHE D 213 ? 0.8274 0.6513 0.6872 0.0626 -0.0492 0.0177 223 PHE D CA +14722 C CA B PHE D 213 ? 0.8288 0.6527 0.6886 0.0628 -0.0493 0.0176 223 PHE D CA +14723 C C A PHE D 213 ? 0.8278 0.6455 0.6840 0.0657 -0.0491 0.0172 223 PHE D C +14724 C C B PHE D 213 ? 0.8299 0.6476 0.6861 0.0658 -0.0491 0.0171 223 PHE D C +14725 O O A PHE D 213 ? 0.8121 0.6238 0.6652 0.0632 -0.0470 0.0177 223 PHE D O +14726 O O B PHE D 213 ? 0.8111 0.6231 0.6645 0.0633 -0.0470 0.0176 223 PHE D O +14727 C CB A PHE D 213 ? 0.6987 0.5154 0.5513 0.0625 -0.0499 0.0198 223 PHE D CB +14728 C CB B PHE D 213 ? 0.6954 0.5120 0.5480 0.0626 -0.0499 0.0198 223 PHE D CB +14729 C CG A PHE D 213 ? 0.7686 0.5914 0.6243 0.0609 -0.0507 0.0201 223 PHE D CG +14730 C CG B PHE D 213 ? 0.7691 0.5916 0.6246 0.0610 -0.0507 0.0201 223 PHE D CG +14731 C CD1 A PHE D 213 ? 0.7204 0.5506 0.5805 0.0641 -0.0532 0.0188 223 PHE D CD1 +14732 C CD1 B PHE D 213 ? 0.7195 0.5495 0.5795 0.0641 -0.0531 0.0189 223 PHE D CD1 +14733 C CD2 A PHE D 213 ? 0.7615 0.5826 0.6157 0.0563 -0.0491 0.0217 223 PHE D CD2 +14734 C CD2 B PHE D 213 ? 0.7623 0.5830 0.6164 0.0562 -0.0490 0.0216 223 PHE D CD2 +14735 C CE1 A PHE D 213 ? 0.7571 0.5928 0.6199 0.0627 -0.0541 0.0190 223 PHE D CE1 +14736 C CE1 B PHE D 213 ? 0.7572 0.5924 0.6197 0.0626 -0.0539 0.0191 223 PHE D CE1 +14737 C CE2 A PHE D 213 ? 0.7739 0.6002 0.6305 0.0550 -0.0499 0.0219 223 PHE D CE2 +14738 C CE2 B PHE D 213 ? 0.7710 0.5970 0.6276 0.0549 -0.0497 0.0219 223 PHE D CE2 +14739 C CZ A PHE D 213 ? 0.7586 0.5920 0.6193 0.0582 -0.0524 0.0206 223 PHE D CZ +14740 C CZ B PHE D 213 ? 0.7605 0.5936 0.6212 0.0580 -0.0522 0.0206 223 PHE D CZ +14741 N N A GLN D 214 ? 0.8018 0.6210 0.6585 0.0711 -0.0513 0.0161 224 GLN D N +14742 N N B GLN D 214 ? 0.8030 0.6222 0.6597 0.0712 -0.0513 0.0160 224 GLN D N +14743 C CA A GLN D 214 ? 0.8516 0.6643 0.7042 0.0746 -0.0513 0.0156 224 GLN D CA +14744 C CA B GLN D 214 ? 0.8519 0.6645 0.7044 0.0747 -0.0514 0.0156 224 GLN D CA +14745 C C A GLN D 214 ? 0.8559 0.6565 0.6984 0.0758 -0.0518 0.0177 224 GLN D C +14746 C C B GLN D 214 ? 0.8557 0.6563 0.6982 0.0759 -0.0518 0.0177 224 GLN D C +14747 O O A GLN D 214 ? 0.8578 0.6564 0.6969 0.0796 -0.0541 0.0182 224 GLN D O +14748 O O B GLN D 214 ? 0.8572 0.6559 0.6964 0.0796 -0.0541 0.0182 224 GLN D O +14749 C CB A GLN D 214 ? 0.9003 0.7187 0.7568 0.0802 -0.0535 0.0137 224 GLN D CB +14750 C CB B GLN D 214 ? 0.9018 0.7201 0.7582 0.0803 -0.0535 0.0136 224 GLN D CB +14751 C CG A GLN D 214 ? 0.9846 0.7954 0.8360 0.0841 -0.0536 0.0133 224 GLN D CG +14752 C CG B GLN D 214 ? 0.9877 0.7982 0.8388 0.0845 -0.0538 0.0134 224 GLN D CG +14753 C CD A GLN D 214 ? 1.0327 0.8497 0.8889 0.0893 -0.0552 0.0111 224 GLN D CD +14754 C CD B GLN D 214 ? 1.0341 0.8512 0.8903 0.0894 -0.0552 0.0111 224 GLN D CD +14755 O OE1 A GLN D 214 ? 1.0368 0.8640 0.9000 0.0904 -0.0566 0.0098 224 GLN D OE1 +14756 O OE1 B GLN D 214 ? 1.0385 0.8655 0.9015 0.0906 -0.0567 0.0098 224 GLN D OE1 +14757 N NE2 A GLN D 214 ? 1.1359 0.9468 0.9882 0.0926 -0.0550 0.0106 224 GLN D NE2 +14758 N NE2 B GLN D 214 ? 1.1384 0.9499 0.9914 0.0923 -0.0548 0.0105 224 GLN D NE2 +14759 N N A ASP D 215 ? 0.8126 0.6051 0.6502 0.0725 -0.0495 0.0189 225 ASP D N +14760 N N B ASP D 215 ? 0.8108 0.6033 0.6484 0.0726 -0.0496 0.0189 225 ASP D N +14761 C CA A ASP D 215 ? 0.8899 0.6706 0.7179 0.0725 -0.0493 0.0210 225 ASP D CA +14762 C CA B ASP D 215 ? 0.8887 0.6694 0.7167 0.0727 -0.0494 0.0210 225 ASP D CA +14763 C C A ASP D 215 ? 0.9686 0.7399 0.7908 0.0746 -0.0487 0.0210 225 ASP D C +14764 C C B ASP D 215 ? 0.9692 0.7405 0.7913 0.0749 -0.0488 0.0210 225 ASP D C +14765 O O A ASP D 215 ? 0.9943 0.7549 0.8084 0.0737 -0.0479 0.0227 225 ASP D O +14766 O O B ASP D 215 ? 0.9975 0.7579 0.8113 0.0742 -0.0481 0.0227 225 ASP D O +14767 C CB A ASP D 215 ? 0.9537 0.7322 0.7804 0.0664 -0.0471 0.0227 225 ASP D CB +14768 C CB B ASP D 215 ? 0.9552 0.7335 0.7817 0.0666 -0.0472 0.0227 225 ASP D CB +14769 C CG A ASP D 215 ? 0.9657 0.7494 0.7945 0.0650 -0.0480 0.0234 225 ASP D CG +14770 C CG B ASP D 215 ? 0.9673 0.7509 0.7959 0.0653 -0.0481 0.0235 225 ASP D CG +14771 O OD1 A ASP D 215 ? 0.9164 0.7029 0.7455 0.0690 -0.0505 0.0232 225 ASP D OD1 +14772 O OD1 B ASP D 215 ? 0.9180 0.7046 0.7471 0.0694 -0.0506 0.0231 225 ASP D OD1 +14773 O OD2 A ASP D 215 ? 0.9736 0.7585 0.8036 0.0600 -0.0462 0.0243 225 ASP D OD2 +14774 O OD2 B ASP D 215 ? 0.9769 0.7615 0.8066 0.0603 -0.0463 0.0244 225 ASP D OD2 +14775 N N A GLY D 216 ? 0.9387 0.7138 0.7648 0.0773 -0.0490 0.0190 226 GLY D N +14776 N N B GLY D 216 ? 0.9390 0.7141 0.7650 0.0773 -0.0490 0.0190 226 GLY D N +14777 C CA A GLY D 216 ? 0.8752 0.6423 0.6963 0.0801 -0.0487 0.0186 226 GLY D CA +14778 C CA B GLY D 216 ? 0.8731 0.6403 0.6943 0.0800 -0.0486 0.0186 226 GLY D CA +14779 C C A GLY D 216 ? 1.0273 0.8018 0.8544 0.0843 -0.0498 0.0162 226 GLY D C +14780 C C B GLY D 216 ? 1.0289 0.8035 0.8560 0.0843 -0.0498 0.0162 226 GLY D C +14781 O O A GLY D 216 ? 0.9365 0.7222 0.7715 0.0846 -0.0506 0.0149 226 GLY D O +14782 O O B GLY D 216 ? 0.9361 0.7217 0.7710 0.0846 -0.0506 0.0149 226 GLY D O +14783 N N . GLU D 217 ? 0.9396 0.7077 0.7627 0.0876 -0.0497 0.0156 227 GLU D N +14784 C CA . GLU D 217 ? 0.9831 0.7568 0.8106 0.0924 -0.0508 0.0133 227 GLU D CA +14785 C C . GLU D 217 ? 0.9843 0.7616 0.8164 0.0904 -0.0487 0.0117 227 GLU D C +14786 O O . GLU D 217 ? 0.9864 0.7708 0.8241 0.0935 -0.0492 0.0096 227 GLU D O +14787 C CB . GLU D 217 ? 0.9656 0.7302 0.7857 0.0985 -0.0525 0.0135 227 GLU D CB +14788 C CG . GLU D 217 ? 1.2828 1.0424 1.0970 0.1014 -0.0548 0.0152 227 GLU D CG +14789 C CD . GLU D 217 ? 1.2670 1.0372 1.0875 0.1045 -0.0574 0.0142 227 GLU D CD +14790 O OE1 . GLU D 217 ? 1.5016 1.2815 1.3298 0.1066 -0.0579 0.0120 227 GLU D OE1 +14791 O OE2 . GLU D 217 ? 1.6885 1.4575 1.5063 0.1046 -0.0588 0.0156 227 GLU D OE2 +14792 N N . GLY D 218 ? 0.8610 0.6334 0.6908 0.0852 -0.0463 0.0124 228 GLY D N +14793 C CA . GLY D 218 ? 0.9301 0.7053 0.7636 0.0833 -0.0443 0.0109 228 GLY D CA +14794 C C . GLY D 218 ? 0.9118 0.6997 0.7551 0.0805 -0.0436 0.0096 228 GLY D C +14795 O O . GLY D 218 ? 0.9402 0.7340 0.7870 0.0783 -0.0441 0.0103 228 GLY D O +14796 N N A ALA D 219 ? 0.9548 0.7468 0.8022 0.0805 -0.0424 0.0078 229 ALA D N +14797 N N B ALA D 219 ? 0.9559 0.7478 0.8032 0.0806 -0.0424 0.0078 229 ALA D N +14798 C CA A ALA D 219 ? 0.9260 0.7293 0.7821 0.0776 -0.0413 0.0066 229 ALA D CA +14799 C CA B ALA D 219 ? 0.9267 0.7299 0.7827 0.0778 -0.0414 0.0065 229 ALA D CA +14800 C C A ALA D 219 ? 0.9374 0.7398 0.7936 0.0710 -0.0393 0.0075 229 ALA D C +14801 C C B ALA D 219 ? 0.9401 0.7425 0.7963 0.0712 -0.0394 0.0075 229 ALA D C +14802 O O A ALA D 219 ? 0.8679 0.6790 0.7305 0.0679 -0.0387 0.0072 229 ALA D O +14803 O O B ALA D 219 ? 0.8685 0.6797 0.7312 0.0681 -0.0387 0.0071 229 ALA D O +14804 C CB A ALA D 219 ? 0.8216 0.6291 0.6816 0.0801 -0.0405 0.0043 229 ALA D CB +14805 C CB B ALA D 219 ? 0.8201 0.6275 0.6800 0.0803 -0.0406 0.0043 229 ALA D CB +14806 N N A SER D 220 ? 0.9131 0.7052 0.7624 0.0688 -0.0383 0.0087 230 SER D N +14807 N N B SER D 220 ? 0.9124 0.7046 0.7617 0.0689 -0.0384 0.0087 230 SER D N +14808 C CA A SER D 220 ? 0.9009 0.6914 0.7495 0.0626 -0.0367 0.0099 230 SER D CA +14809 C CA B SER D 220 ? 0.8992 0.6897 0.7478 0.0628 -0.0368 0.0099 230 SER D CA +14810 C C A SER D 220 ? 0.9312 0.7198 0.7774 0.0615 -0.0377 0.0119 230 SER D C +14811 C C B SER D 220 ? 0.9323 0.7212 0.7786 0.0616 -0.0378 0.0119 230 SER D C +14812 O O A SER D 220 ? 0.9567 0.7364 0.7958 0.0633 -0.0385 0.0132 230 SER D O +14813 O O B SER D 220 ? 0.9572 0.7374 0.7966 0.0635 -0.0386 0.0132 230 SER D O +14814 C CB A SER D 220 ? 1.0169 0.7974 0.8593 0.0606 -0.0353 0.0102 230 SER D CB +14815 C CB B SER D 220 ? 1.0197 0.8000 0.8619 0.0609 -0.0354 0.0103 230 SER D CB +14816 O OG A SER D 220 ? 0.9540 0.7299 0.7933 0.0557 -0.0344 0.0120 230 SER D OG +14817 O OG B SER D 220 ? 0.9598 0.7370 0.8001 0.0554 -0.0342 0.0117 230 SER D OG +14818 N N A THR D 221 ? 0.8618 0.6583 0.7133 0.0584 -0.0376 0.0122 231 THR D N +14819 N N B THR D 221 ? 0.8615 0.6585 0.7134 0.0586 -0.0377 0.0122 231 THR D N +14820 C CA A THR D 221 ? 0.8126 0.6085 0.6624 0.0578 -0.0386 0.0139 231 THR D CA +14821 C CA B THR D 221 ? 0.8101 0.6068 0.6605 0.0579 -0.0387 0.0139 231 THR D CA +14822 C C A THR D 221 ? 0.7959 0.5849 0.6410 0.0530 -0.0372 0.0158 231 THR D C +14823 C C B THR D 221 ? 0.7931 0.5826 0.6385 0.0533 -0.0373 0.0157 231 THR D C +14824 O O A THR D 221 ? 0.8407 0.6275 0.6831 0.0525 -0.0378 0.0174 231 THR D O +14825 O O B THR D 221 ? 0.8406 0.6275 0.6830 0.0528 -0.0380 0.0173 231 THR D O +14826 C CB A THR D 221 ? 0.8721 0.6796 0.7298 0.0568 -0.0391 0.0133 231 THR D CB +14827 C CB B THR D 221 ? 0.8733 0.6816 0.7316 0.0568 -0.0392 0.0133 231 THR D CB +14828 O OG1 A THR D 221 ? 0.8441 0.6566 0.7065 0.0523 -0.0373 0.0127 231 THR D OG1 +14829 O OG1 B THR D 221 ? 0.8455 0.6585 0.7082 0.0521 -0.0373 0.0127 231 THR D OG1 +14830 C CG2 A THR D 221 ? 0.8299 0.6442 0.6922 0.0618 -0.0407 0.0116 231 THR D CG2 +14831 C CG2 B THR D 221 ? 0.8274 0.6428 0.6906 0.0616 -0.0406 0.0114 231 THR D CG2 +14832 N N A PHE D 222 ? 0.8059 0.5914 0.6499 0.0497 -0.0354 0.0155 232 PHE D N +14833 N N B PHE D 222 ? 0.8048 0.5908 0.6490 0.0499 -0.0355 0.0155 232 PHE D N +14834 C CA A PHE D 222 ? 0.8241 0.6038 0.6643 0.0448 -0.0339 0.0171 232 PHE D CA +14835 C CA B PHE D 222 ? 0.8231 0.6033 0.6636 0.0451 -0.0340 0.0171 232 PHE D CA +14836 C C A PHE D 222 ? 0.9168 0.6856 0.7485 0.0461 -0.0343 0.0188 232 PHE D C +14837 C C B PHE D 222 ? 0.9177 0.6870 0.7496 0.0465 -0.0345 0.0188 232 PHE D C +14838 O O A PHE D 222 ? 0.8843 0.6500 0.7133 0.0429 -0.0337 0.0205 232 PHE D O +14839 O O B PHE D 222 ? 0.8790 0.6453 0.7083 0.0436 -0.0340 0.0205 232 PHE D O +14840 C CB A PHE D 222 ? 0.8376 0.6154 0.6780 0.0414 -0.0321 0.0163 232 PHE D CB +14841 C CB B PHE D 222 ? 0.8354 0.6134 0.6760 0.0417 -0.0322 0.0162 232 PHE D CB +14842 C CG A PHE D 222 ? 0.8853 0.6731 0.7335 0.0393 -0.0315 0.0149 232 PHE D CG +14843 C CG B PHE D 222 ? 0.8860 0.6740 0.7343 0.0396 -0.0315 0.0148 232 PHE D CG +14844 C CD1 A PHE D 222 ? 0.8232 0.6167 0.6754 0.0351 -0.0308 0.0155 232 PHE D CD1 +14845 C CD1 B PHE D 222 ? 0.8245 0.6180 0.6767 0.0352 -0.0308 0.0154 232 PHE D CD1 +14846 C CD2 A PHE D 222 ? 0.8309 0.6225 0.6823 0.0418 -0.0315 0.0130 232 PHE D CD2 +14847 C CD2 B PHE D 222 ? 0.8301 0.6218 0.6815 0.0420 -0.0315 0.0129 232 PHE D CD2 +14848 C CE1 A PHE D 222 ? 0.8360 0.6383 0.6950 0.0333 -0.0302 0.0143 232 PHE D CE1 +14849 C CE1 B PHE D 222 ? 0.8376 0.6397 0.6965 0.0334 -0.0302 0.0142 232 PHE D CE1 +14850 C CE2 A PHE D 222 ? 0.8620 0.6625 0.7201 0.0399 -0.0307 0.0117 232 PHE D CE2 +14851 C CE2 B PHE D 222 ? 0.8628 0.6632 0.7209 0.0400 -0.0308 0.0117 232 PHE D CE2 +14852 C CZ A PHE D 222 ? 0.7904 0.5962 0.6523 0.0356 -0.0302 0.0124 232 PHE D CZ +14853 C CZ B PHE D 222 ? 0.7895 0.5949 0.6512 0.0357 -0.0301 0.0123 232 PHE D CZ +14854 N N A ARG D 223 ? 0.8831 0.6460 0.7103 0.0508 -0.0353 0.0185 233 ARG D N +14855 N N B ARG D 223 ? 0.8825 0.6456 0.7099 0.0509 -0.0353 0.0184 233 ARG D N +14856 C CA A ARG D 223 ? 0.9460 0.6974 0.7644 0.0521 -0.0356 0.0201 233 ARG D CA +14857 C CA B ARG D 223 ? 0.9471 0.6985 0.7655 0.0522 -0.0356 0.0200 233 ARG D CA +14858 C C A ARG D 223 ? 0.9606 0.7121 0.7771 0.0538 -0.0370 0.0216 233 ARG D C +14859 C C B ARG D 223 ? 0.9615 0.7130 0.7780 0.0539 -0.0370 0.0215 233 ARG D C +14860 O O A ARG D 223 ? 0.9905 0.7332 0.8000 0.0531 -0.0367 0.0234 233 ARG D O +14861 O O B ARG D 223 ? 0.9910 0.7336 0.8005 0.0531 -0.0367 0.0233 233 ARG D O +14862 C CB A ARG D 223 ? 0.9051 0.6503 0.7192 0.0570 -0.0364 0.0192 233 ARG D CB +14863 C CB B ARG D 223 ? 0.9037 0.6490 0.7179 0.0572 -0.0364 0.0191 233 ARG D CB +14864 C CG A ARG D 223 ? 0.9792 0.7221 0.7934 0.0555 -0.0349 0.0178 233 ARG D CG +14865 C CG B ARG D 223 ? 0.9775 0.7202 0.7916 0.0557 -0.0349 0.0178 233 ARG D CG +14866 C CD A ARG D 223 ? 1.1878 0.9204 0.9948 0.0593 -0.0353 0.0176 233 ARG D CD +14867 C CD B ARG D 223 ? 1.1887 0.9209 0.9953 0.0595 -0.0353 0.0176 233 ARG D CD +14868 N NE A ARG D 223 ? 1.2922 1.0182 1.0960 0.0558 -0.0334 0.0173 233 ARG D NE +14869 N NE B ARG D 223 ? 1.2932 1.0190 1.0969 0.0560 -0.0335 0.0173 233 ARG D NE +14870 C CZ A ARG D 223 ? 1.4647 1.1820 1.2629 0.0581 -0.0333 0.0168 233 ARG D CZ +14871 C CZ B ARG D 223 ? 1.4686 1.1854 1.2664 0.0583 -0.0333 0.0168 233 ARG D CZ +14872 N NH1 A ARG D 223 ? 1.4911 1.2047 1.2858 0.0641 -0.0348 0.0165 233 ARG D NH1 +14873 N NH1 B ARG D 223 ? 1.4926 1.2055 1.2868 0.0643 -0.0348 0.0166 233 ARG D NH1 +14874 N NH2 A ARG D 223 ? 1.5823 1.2945 1.3784 0.0544 -0.0316 0.0164 233 ARG D NH2 +14875 N NH2 B ARG D 223 ? 1.5870 1.2986 1.3826 0.0546 -0.0316 0.0164 233 ARG D NH2 +14876 N N A ALA D 224 ? 0.8819 0.6429 0.7042 0.0560 -0.0386 0.0208 234 ALA D N +14877 N N B ALA D 224 ? 0.8796 0.6405 0.7019 0.0561 -0.0386 0.0208 234 ALA D N +14878 C CA A ALA D 224 ? 0.9425 0.7036 0.7628 0.0582 -0.0402 0.0221 234 ALA D CA +14879 C CA B ALA D 224 ? 0.9421 0.7031 0.7624 0.0583 -0.0403 0.0220 234 ALA D CA +14880 C C A ALA D 224 ? 0.9870 0.7502 0.8084 0.0534 -0.0392 0.0235 234 ALA D C +14881 C C B ALA D 224 ? 0.9886 0.7517 0.8099 0.0535 -0.0393 0.0235 234 ALA D C +14882 O O A ALA D 224 ? 0.9941 0.7647 0.8196 0.0537 -0.0403 0.0235 234 ALA D O +14883 O O B ALA D 224 ? 0.9972 0.7677 0.8227 0.0538 -0.0403 0.0235 234 ALA D O +14884 C CB A ALA D 224 ? 0.9367 0.7071 0.7629 0.0627 -0.0424 0.0206 234 ALA D CB +14885 C CB B ALA D 224 ? 0.9360 0.7065 0.7623 0.0627 -0.0424 0.0205 234 ALA D CB +14886 N N A PHE D 225 ? 0.9293 0.6865 0.7473 0.0488 -0.0371 0.0246 235 PHE D N +14887 N N B PHE D 225 ? 0.9286 0.6853 0.7462 0.0491 -0.0372 0.0246 235 PHE D N +14888 C CA A PHE D 225 ? 0.9992 0.7573 0.8174 0.0443 -0.0360 0.0261 235 PHE D CA +14889 C CA B PHE D 225 ? 1.0012 0.7591 0.8192 0.0446 -0.0361 0.0261 235 PHE D CA +14890 C C A PHE D 225 ? 0.9271 0.6738 0.7374 0.0418 -0.0344 0.0278 235 PHE D C +14891 C C B PHE D 225 ? 0.9260 0.6727 0.7363 0.0418 -0.0344 0.0278 235 PHE D C +14892 O O A PHE D 225 ? 0.9526 0.6933 0.7600 0.0409 -0.0333 0.0275 235 PHE D O +14893 O O B PHE D 225 ? 0.9521 0.6932 0.7599 0.0405 -0.0332 0.0274 235 PHE D O +14894 C CB A PHE D 225 ? 0.9333 0.7003 0.7592 0.0397 -0.0346 0.0251 235 PHE D CB +14895 C CB B PHE D 225 ? 0.9340 0.7010 0.7598 0.0401 -0.0348 0.0251 235 PHE D CB +14896 C CG A PHE D 225 ? 0.9206 0.6882 0.7465 0.0350 -0.0333 0.0266 235 PHE D CG +14897 C CG B PHE D 225 ? 0.9221 0.6898 0.7481 0.0353 -0.0334 0.0266 235 PHE D CG +14898 C CD1 A PHE D 225 ? 0.9190 0.6927 0.7478 0.0353 -0.0343 0.0271 235 PHE D CD1 +14899 C CD1 B PHE D 225 ? 0.9208 0.6943 0.7493 0.0356 -0.0344 0.0271 235 PHE D CD1 +14900 C CD2 A PHE D 225 ? 0.8616 0.6234 0.6846 0.0305 -0.0312 0.0275 235 PHE D CD2 +14901 C CD2 B PHE D 225 ? 0.8599 0.6223 0.6833 0.0307 -0.0313 0.0273 235 PHE D CD2 +14902 C CE1 A PHE D 225 ? 0.9089 0.6830 0.7375 0.0313 -0.0330 0.0285 235 PHE D CE1 +14903 C CE1 B PHE D 225 ? 0.9096 0.6836 0.7381 0.0315 -0.0331 0.0284 235 PHE D CE1 +14904 C CE2 A PHE D 225 ? 0.8560 0.6186 0.6792 0.0264 -0.0299 0.0288 235 PHE D CE2 +14905 C CE2 B PHE D 225 ? 0.8531 0.6164 0.6768 0.0265 -0.0300 0.0286 235 PHE D CE2 +14906 C CZ A PHE D 225 ? 0.9238 0.6923 0.7496 0.0269 -0.0308 0.0293 235 PHE D CZ +14907 C CZ B PHE D 225 ? 0.9240 0.6930 0.7502 0.0270 -0.0308 0.0292 235 PHE D CZ +14908 N N A ASN D 226 ? 0.9526 0.6964 0.7593 0.0404 -0.0342 0.0296 236 ASN D N +14909 N N B ASN D 226 ? 0.9521 0.6956 0.7586 0.0406 -0.0342 0.0296 236 ASN D N +14910 C CA A ASN D 226 ? 1.0228 0.7559 0.8220 0.0377 -0.0324 0.0314 236 ASN D CA +14911 C CA B ASN D 226 ? 1.0240 0.7569 0.8229 0.0379 -0.0325 0.0314 236 ASN D CA +14912 C C A ASN D 226 ? 0.9217 0.6579 0.7229 0.0326 -0.0308 0.0325 236 ASN D C +14913 C C B ASN D 226 ? 0.9182 0.6544 0.7194 0.0326 -0.0308 0.0325 236 ASN D C +14914 O O A ASN D 226 ? 1.0222 0.7631 0.8251 0.0332 -0.0317 0.0331 236 ASN D O +14915 O O B ASN D 226 ? 1.0232 0.7642 0.8262 0.0332 -0.0317 0.0331 236 ASN D O +14916 C CB A ASN D 226 ? 1.0817 0.8058 0.8724 0.0420 -0.0337 0.0328 236 ASN D CB +14917 C CB B ASN D 226 ? 1.0819 0.8058 0.8724 0.0420 -0.0337 0.0329 236 ASN D CB +14918 C CG A ASN D 226 ? 1.1539 0.8659 0.9361 0.0394 -0.0318 0.0346 236 ASN D CG +14919 C CG B ASN D 226 ? 1.1547 0.8665 0.9368 0.0394 -0.0318 0.0347 236 ASN D CG +14920 O OD1 A ASN D 226 ? 1.2039 0.9139 0.9841 0.0360 -0.0304 0.0361 236 ASN D OD1 +14921 O OD1 B ASN D 226 ? 1.2079 0.9178 0.9879 0.0361 -0.0304 0.0362 236 ASN D OD1 +14922 N ND2 A ASN D 226 ? 1.4340 1.1376 1.2113 0.0411 -0.0316 0.0343 236 ASN D ND2 +14923 N ND2 B ASN D 226 ? 1.4381 1.1415 1.2152 0.0410 -0.0316 0.0344 236 ASN D ND2 +14924 N N A PRO D 227 ? 1.0477 0.7816 0.8490 0.0275 -0.0285 0.0327 237 PRO D N +14925 N N B PRO D 227 ? 1.0499 0.7836 0.8511 0.0276 -0.0285 0.0327 237 PRO D N +14926 C CA A PRO D 227 ? 0.9581 0.6959 0.7623 0.0225 -0.0269 0.0336 237 PRO D CA +14927 C CA B PRO D 227 ? 0.9570 0.6947 0.7612 0.0225 -0.0269 0.0335 237 PRO D CA +14928 C C A PRO D 227 ? 1.0899 0.8248 0.8898 0.0227 -0.0268 0.0355 237 PRO D C +14929 C C B PRO D 227 ? 1.0916 0.8262 0.8914 0.0226 -0.0268 0.0355 237 PRO D C +14930 O O A PRO D 227 ? 1.0644 0.8055 0.8682 0.0202 -0.0263 0.0359 237 PRO D O +14931 O O B PRO D 227 ? 1.0663 0.8068 0.8698 0.0198 -0.0261 0.0359 237 PRO D O +14932 C CB A PRO D 227 ? 0.9354 0.6675 0.7376 0.0178 -0.0245 0.0337 237 PRO D CB +14933 C CB B PRO D 227 ? 0.9339 0.6659 0.7361 0.0179 -0.0246 0.0336 237 PRO D CB +14934 C CG A PRO D 227 ? 1.0126 0.7425 0.8147 0.0199 -0.0251 0.0322 237 PRO D CG +14935 C CG B PRO D 227 ? 1.0130 0.7432 0.8153 0.0201 -0.0252 0.0320 237 PRO D CG +14936 C CD A PRO D 227 ? 0.9831 0.7113 0.7824 0.0262 -0.0274 0.0320 237 PRO D CD +14937 C CD B PRO D 227 ? 0.9814 0.7094 0.7806 0.0263 -0.0274 0.0319 237 PRO D CD +14938 N N A THR D 228 ? 1.0854 0.8108 0.8771 0.0256 -0.0273 0.0368 238 THR D N +14939 N N B THR D 228 ? 1.0862 0.8116 0.8779 0.0257 -0.0274 0.0367 238 THR D N +14940 C CA A THR D 228 ? 1.0256 0.7475 0.8125 0.0257 -0.0272 0.0387 238 THR D CA +14941 C CA B THR D 228 ? 1.0253 0.7470 0.8121 0.0258 -0.0272 0.0387 238 THR D CA +14942 C C A THR D 228 ? 1.0074 0.7330 0.7944 0.0308 -0.0299 0.0387 238 THR D C +14943 C C B THR D 228 ? 1.0070 0.7322 0.7938 0.0309 -0.0299 0.0387 238 THR D C +14944 O O A THR D 228 ? 1.0802 0.8030 0.8630 0.0313 -0.0300 0.0402 238 THR D O +14945 O O B THR D 228 ? 1.0813 0.8038 0.8639 0.0313 -0.0300 0.0402 238 THR D O +14946 C CB A THR D 228 ? 1.1117 0.8202 0.8887 0.0253 -0.0258 0.0405 238 THR D CB +14947 C CB B THR D 228 ? 1.1136 0.8220 0.8905 0.0254 -0.0259 0.0404 238 THR D CB +14948 O OG1 A THR D 228 ? 1.0337 0.7360 0.8063 0.0298 -0.0273 0.0400 238 THR D OG1 +14949 O OG1 B THR D 228 ? 1.0332 0.7353 0.8058 0.0299 -0.0273 0.0399 238 THR D OG1 +14950 C CG2 A THR D 228 ? 1.1003 0.8056 0.8773 0.0193 -0.0229 0.0408 238 THR D CG2 +14951 C CG2 B THR D 228 ? 1.1012 0.8064 0.8781 0.0194 -0.0229 0.0407 238 THR D CG2 +14952 N N A GLN D 229 ? 0.9849 0.7166 0.7765 0.0345 -0.0320 0.0369 239 GLN D N +14953 N N B GLN D 229 ? 0.9832 0.7143 0.7745 0.0347 -0.0320 0.0369 239 GLN D N +14954 C CA A GLN D 229 ? 0.9879 0.7238 0.7803 0.0392 -0.0347 0.0367 239 GLN D CA +14955 C CA B GLN D 229 ? 0.9862 0.7217 0.7783 0.0393 -0.0347 0.0367 239 GLN D CA +14956 C C A GLN D 229 ? 1.0547 0.7982 0.8513 0.0370 -0.0346 0.0371 239 GLN D C +14957 C C B GLN D 229 ? 1.0555 0.7985 0.8518 0.0371 -0.0346 0.0371 239 GLN D C +14958 O O A GLN D 229 ? 1.0064 0.7554 0.8082 0.0325 -0.0330 0.0368 239 GLN D O +14959 O O B GLN D 229 ? 1.0082 0.7567 0.8098 0.0325 -0.0329 0.0368 239 GLN D O +14960 C CB A GLN D 229 ? 1.0104 0.7532 0.8086 0.0428 -0.0367 0.0345 239 GLN D CB +14961 C CB B GLN D 229 ? 1.0101 0.7525 0.8080 0.0430 -0.0367 0.0345 239 GLN D CB +14962 C CG A GLN D 229 ? 1.0334 0.7879 0.8416 0.0401 -0.0363 0.0329 239 GLN D CG +14963 C CG B GLN D 229 ? 1.0351 0.7893 0.8430 0.0402 -0.0363 0.0329 239 GLN D CG +14964 C CD A GLN D 229 ? 0.9896 0.7498 0.8029 0.0433 -0.0378 0.0307 239 GLN D CD +14965 C CD B GLN D 229 ? 0.9905 0.7504 0.8036 0.0433 -0.0378 0.0308 239 GLN D CD +14966 O OE1 A GLN D 229 ? 0.9842 0.7396 0.7954 0.0444 -0.0374 0.0301 239 GLN D OE1 +14967 O OE1 B GLN D 229 ? 0.9856 0.7406 0.7965 0.0446 -0.0375 0.0302 239 GLN D OE1 +14968 N NE2 A GLN D 229 ? 0.9225 0.6925 0.7422 0.0450 -0.0394 0.0295 239 GLN D NE2 +14969 N NE2 B GLN D 229 ? 0.9211 0.6912 0.7411 0.0447 -0.0393 0.0295 239 GLN D NE2 +14970 N N A ALA D 230 ? 1.0388 0.7823 0.8328 0.0404 -0.0365 0.0377 240 ALA D N +14971 N N B ALA D 230 ? 1.0389 0.7819 0.8325 0.0404 -0.0365 0.0378 240 ALA D N +14972 C CA A ALA D 230 ? 1.0863 0.8364 0.8836 0.0387 -0.0366 0.0381 240 ALA D CA +14973 C CA B ALA D 230 ? 1.0880 0.8374 0.8848 0.0386 -0.0365 0.0382 240 ALA D CA +14974 C C A ALA D 230 ? 0.9749 0.7371 0.7811 0.0401 -0.0385 0.0361 240 ALA D C +14975 C C B ALA D 230 ? 0.9761 0.7377 0.7819 0.0399 -0.0384 0.0363 240 ALA D C +14976 O O A ALA D 230 ? 0.9441 0.7132 0.7551 0.0374 -0.0380 0.0360 240 ALA D O +14977 O O B ALA D 230 ? 0.9444 0.7128 0.7547 0.0373 -0.0379 0.0362 240 ALA D O +14978 C CB A ALA D 230 ? 0.9906 0.7348 0.7805 0.0413 -0.0377 0.0398 240 ALA D CB +14979 C CB B ALA D 230 ? 0.9905 0.7341 0.7799 0.0411 -0.0375 0.0399 240 ALA D CB +14980 N N A GLU D 231 ? 0.8990 0.6638 0.7076 0.0441 -0.0405 0.0346 241 GLU D N +14981 N N B GLU D 231 ? 0.8959 0.6603 0.7043 0.0438 -0.0403 0.0347 241 GLU D N +14982 C CA A GLU D 231 ? 0.9709 0.7468 0.7875 0.0458 -0.0424 0.0328 241 GLU D CA +14983 C CA B GLU D 231 ? 0.9696 0.7450 0.7858 0.0457 -0.0423 0.0329 241 GLU D CA +14984 C C A GLU D 231 ? 0.9729 0.7564 0.7976 0.0423 -0.0410 0.0313 241 GLU D C +14985 C C B GLU D 231 ? 0.9741 0.7572 0.7985 0.0423 -0.0409 0.0314 241 GLU D C +14986 O O A GLU D 231 ? 0.9537 0.7340 0.7781 0.0404 -0.0393 0.0311 241 GLU D O +14987 O O B GLU D 231 ? 0.9548 0.7346 0.7788 0.0402 -0.0392 0.0312 241 GLU D O +14988 C CB A GLU D 231 ? 0.9861 0.7622 0.8023 0.0517 -0.0452 0.0316 241 GLU D CB +14989 C CB B GLU D 231 ? 0.9851 0.7606 0.8008 0.0516 -0.0451 0.0317 241 GLU D CB +14990 C CG A GLU D 231 ? 1.2343 1.0008 1.0414 0.0557 -0.0465 0.0330 241 GLU D CG +14991 C CG B GLU D 231 ? 1.2414 1.0068 1.0477 0.0555 -0.0463 0.0332 241 GLU D CG +14992 C CD A GLU D 231 ? 1.3043 1.0602 1.1049 0.0556 -0.0450 0.0338 241 GLU D CD +14993 C CD B GLU D 231 ? 1.3070 1.0622 1.1072 0.0554 -0.0449 0.0339 241 GLU D CD +14994 O OE1 A GLU D 231 ? 1.3880 1.1446 1.1909 0.0571 -0.0452 0.0324 241 GLU D OE1 +14995 O OE1 B GLU D 231 ? 1.3915 1.1480 1.1945 0.0567 -0.0450 0.0324 241 GLU D OE1 +14996 O OE2 A GLU D 231 ? 1.3186 1.0656 1.1119 0.0538 -0.0435 0.0357 241 GLU D OE2 +14997 O OE2 B GLU D 231 ? 1.3294 1.0753 1.1220 0.0539 -0.0435 0.0358 241 GLU D OE2 +14998 N N A GLU D 232 ? 0.9202 0.7137 0.7519 0.0416 -0.0417 0.0303 242 GLU D N +14999 N N B GLU D 232 ? 0.9191 0.7123 0.7506 0.0417 -0.0417 0.0303 242 GLU D N +15000 C CA A GLU D 232 ? 0.8998 0.7011 0.7394 0.0392 -0.0408 0.0287 242 GLU D CA +15001 C CA B GLU D 232 ? 0.8993 0.7004 0.7387 0.0393 -0.0408 0.0286 242 GLU D CA +15002 C C A GLU D 232 ? 0.8467 0.6486 0.6879 0.0425 -0.0417 0.0271 242 GLU D C +15003 C C B GLU D 232 ? 0.8466 0.6485 0.6878 0.0427 -0.0418 0.0270 242 GLU D C +15004 O O A GLU D 232 ? 0.8427 0.6441 0.6825 0.0473 -0.0440 0.0266 242 GLU D O +15005 O O B GLU D 232 ? 0.8428 0.6442 0.6826 0.0474 -0.0440 0.0266 242 GLU D O +15006 C CB A GLU D 232 ? 0.9081 0.7196 0.7544 0.0384 -0.0416 0.0278 242 GLU D CB +15007 C CB B GLU D 232 ? 0.9089 0.7203 0.7551 0.0385 -0.0416 0.0278 242 GLU D CB +15008 C CG A GLU D 232 ? 0.9426 0.7574 0.7893 0.0430 -0.0446 0.0272 242 GLU D CG +15009 C CG B GLU D 232 ? 0.9398 0.7549 0.7870 0.0431 -0.0446 0.0270 242 GLU D CG +15010 C CD A GLU D 232 ? 0.9826 0.8081 0.8369 0.0421 -0.0454 0.0260 242 GLU D CD +15011 C CD B GLU D 232 ? 0.9854 0.8112 0.8401 0.0422 -0.0454 0.0258 242 GLU D CD +15012 O OE1 A GLU D 232 ? 0.8943 0.7236 0.7521 0.0379 -0.0437 0.0261 242 GLU D OE1 +15013 O OE1 B GLU D 232 ? 0.8967 0.7262 0.7548 0.0380 -0.0438 0.0260 242 GLU D OE1 +15014 O OE2 A GLU D 232 ? 0.9657 0.7958 0.8225 0.0457 -0.0479 0.0248 242 GLU D OE2 +15015 O OE2 B GLU D 232 ? 0.9662 0.7966 0.8234 0.0458 -0.0479 0.0246 242 GLU D OE2 +15016 N N A THR D 233 ? 0.7926 0.5956 0.6368 0.0401 -0.0401 0.0262 243 THR D N +15017 N N B THR D 233 ? 0.7912 0.5939 0.6352 0.0403 -0.0401 0.0262 243 THR D N +15018 C CA A THR D 233 ? 0.7522 0.5554 0.5978 0.0431 -0.0407 0.0247 243 THR D CA +15019 C CA B THR D 233 ? 0.7513 0.5542 0.5967 0.0433 -0.0407 0.0247 243 THR D CA +15020 C C A THR D 233 ? 0.7825 0.5964 0.6362 0.0446 -0.0418 0.0227 243 THR D C +15021 C C B THR D 233 ? 0.7839 0.5976 0.6374 0.0448 -0.0419 0.0227 243 THR D C +15022 O O A THR D 233 ? 0.7531 0.5681 0.6083 0.0477 -0.0426 0.0213 243 THR D O +15023 O O B THR D 233 ? 0.7525 0.5674 0.6076 0.0480 -0.0427 0.0213 243 THR D O +15024 C CB A THR D 233 ? 0.7195 0.5182 0.5639 0.0401 -0.0385 0.0247 243 THR D CB +15025 C CB B THR D 233 ? 0.7173 0.5159 0.5616 0.0402 -0.0385 0.0247 243 THR D CB +15026 O OG1 A THR D 233 ? 0.7956 0.5921 0.6392 0.0435 -0.0391 0.0235 243 THR D OG1 +15027 O OG1 B THR D 233 ? 0.7965 0.5922 0.6396 0.0435 -0.0390 0.0236 243 THR D OG1 +15028 C CG2 A THR D 233 ? 0.7746 0.5810 0.6260 0.0358 -0.0369 0.0238 243 THR D CG2 +15029 C CG2 B THR D 233 ? 0.7746 0.5811 0.6260 0.0360 -0.0370 0.0237 243 THR D CG2 +15030 N N A TYR D 234 ? 0.8195 0.6412 0.6784 0.0424 -0.0419 0.0225 244 TYR D N +15031 N N B TYR D 234 ? 0.8218 0.6433 0.6806 0.0426 -0.0419 0.0225 244 TYR D N +15032 C CA A TYR D 234 ? 0.7694 0.6012 0.6360 0.0434 -0.0428 0.0206 244 TYR D CA +15033 C CA B TYR D 234 ? 0.7707 0.6024 0.6373 0.0436 -0.0429 0.0206 244 TYR D CA +15034 C C A TYR D 234 ? 0.7220 0.5588 0.5905 0.0438 -0.0443 0.0209 244 TYR D C +15035 C C B TYR D 234 ? 0.7199 0.5566 0.5884 0.0439 -0.0444 0.0209 244 TYR D C +15036 O O A TYR D 234 ? 0.7584 0.5915 0.6230 0.0421 -0.0441 0.0225 244 TYR D O +15037 O O B TYR D 234 ? 0.7591 0.5921 0.6237 0.0423 -0.0441 0.0225 244 TYR D O +15038 C CB A TYR D 234 ? 0.6804 0.5177 0.5529 0.0395 -0.0409 0.0197 244 TYR D CB +15039 C CB B TYR D 234 ? 0.6782 0.5154 0.5506 0.0396 -0.0409 0.0197 244 TYR D CB +15040 C CG A TYR D 234 ? 0.7436 0.5824 0.6170 0.0348 -0.0395 0.0207 244 TYR D CG +15041 C CG B TYR D 234 ? 0.7437 0.5825 0.6171 0.0349 -0.0395 0.0207 244 TYR D CG +15042 C CD1 A TYR D 234 ? 0.7397 0.5716 0.6084 0.0317 -0.0377 0.0222 244 TYR D CD1 +15043 C CD1 B TYR D 234 ? 0.7395 0.5714 0.6082 0.0317 -0.0377 0.0222 244 TYR D CD1 +15044 C CD2 A TYR D 234 ? 0.7688 0.6161 0.6479 0.0334 -0.0398 0.0201 244 TYR D CD2 +15045 C CD2 B TYR D 234 ? 0.7705 0.6176 0.6496 0.0335 -0.0398 0.0201 244 TYR D CD2 +15046 C CE1 A TYR D 234 ? 0.7772 0.6107 0.6470 0.0275 -0.0364 0.0231 244 TYR D CE1 +15047 C CE1 B TYR D 234 ? 0.7774 0.6110 0.6473 0.0276 -0.0364 0.0230 244 TYR D CE1 +15048 C CE2 A TYR D 234 ? 0.7528 0.6014 0.6328 0.0293 -0.0385 0.0210 244 TYR D CE2 +15049 C CE2 B TYR D 234 ? 0.7543 0.6027 0.6341 0.0294 -0.0386 0.0210 244 TYR D CE2 +15050 C CZ A TYR D 234 ? 0.8458 0.6877 0.7212 0.0265 -0.0369 0.0225 244 TYR D CZ +15051 C CZ B TYR D 234 ? 0.8489 0.6907 0.7243 0.0265 -0.0369 0.0225 244 TYR D CZ +15052 O OH A TYR D 234 ? 0.8189 0.6622 0.6952 0.0226 -0.0356 0.0234 244 TYR D OH +15053 O OH B TYR D 234 ? 0.8185 0.6620 0.6950 0.0226 -0.0355 0.0233 244 TYR D OH +15054 N N A SER D 235 ? 0.6915 0.5367 0.5660 0.0458 -0.0459 0.0192 245 SER D N +15055 N N B SER D 235 ? 0.6907 0.5359 0.5652 0.0459 -0.0459 0.0192 245 SER D N +15056 C CA A SER D 235 ? 0.6801 0.5304 0.5567 0.0466 -0.0476 0.0192 245 SER D CA +15057 C CA B SER D 235 ? 0.6782 0.5284 0.5547 0.0469 -0.0477 0.0191 245 SER D CA +15058 C C A SER D 235 ? 0.7680 0.6249 0.6498 0.0423 -0.0464 0.0190 245 SER D C +15059 C C B SER D 235 ? 0.7709 0.6278 0.6527 0.0426 -0.0465 0.0189 245 SER D C +15060 O O A SER D 235 ? 0.7321 0.5965 0.6206 0.0414 -0.0461 0.0174 245 SER D O +15061 O O B SER D 235 ? 0.7344 0.5989 0.6230 0.0417 -0.0462 0.0173 245 SER D O +15062 C CB A SER D 235 ? 0.7087 0.5649 0.5893 0.0510 -0.0500 0.0174 245 SER D CB +15063 C CB B SER D 235 ? 0.7073 0.5632 0.5877 0.0513 -0.0501 0.0173 245 SER D CB +15064 O OG A SER D 235 ? 0.7724 0.6333 0.6548 0.0515 -0.0518 0.0172 245 SER D OG +15065 O OG B SER D 235 ? 0.7815 0.6425 0.6640 0.0519 -0.0519 0.0171 245 SER D OG +15066 N N A MET D 236 ? 0.7030 0.5571 0.5817 0.0398 -0.0458 0.0205 246 MET D N +15067 N N B MET D 236 ? 0.7027 0.5568 0.5814 0.0400 -0.0459 0.0205 246 MET D N +15068 C CA A MET D 236 ? 0.6575 0.5178 0.5407 0.0362 -0.0450 0.0204 246 MET D CA +15069 C CA B MET D 236 ? 0.6540 0.5141 0.5371 0.0363 -0.0450 0.0204 246 MET D CA +15070 C C A MET D 236 ? 0.7170 0.5855 0.6054 0.0380 -0.0471 0.0190 246 MET D C +15071 C C B MET D 236 ? 0.7181 0.5863 0.6063 0.0380 -0.0470 0.0190 246 MET D C +15072 O O A MET D 236 ? 0.7212 0.5967 0.6155 0.0357 -0.0465 0.0180 246 MET D O +15073 O O B MET D 236 ? 0.7232 0.5983 0.6171 0.0356 -0.0464 0.0182 246 MET D O +15074 C CB A MET D 236 ? 0.7730 0.6283 0.6513 0.0338 -0.0441 0.0224 246 MET D CB +15075 C CB B MET D 236 ? 0.7721 0.6268 0.6501 0.0339 -0.0440 0.0224 246 MET D CB +15076 C CG A MET D 236 ? 0.9229 0.7833 0.8051 0.0298 -0.0429 0.0224 246 MET D CG +15077 C CG B MET D 236 ? 0.9294 0.7891 0.8111 0.0299 -0.0428 0.0225 246 MET D CG +15078 S SD A MET D 236 ? 0.8400 0.7022 0.7260 0.0256 -0.0401 0.0220 246 MET D SD +15079 S SD B MET D 236 ? 0.8405 0.7023 0.7263 0.0257 -0.0401 0.0220 246 MET D SD +15080 C CE A MET D 236 ? 0.7756 0.6430 0.6648 0.0218 -0.0393 0.0223 246 MET D CE +15081 C CE B MET D 236 ? 0.7765 0.6437 0.6657 0.0220 -0.0393 0.0223 246 MET D CE +15082 N N A VAL D 237 ? 0.6638 0.5313 0.5500 0.0421 -0.0496 0.0188 247 VAL D N +15083 N N B VAL D 237 ? 0.6633 0.5307 0.5494 0.0422 -0.0495 0.0188 247 VAL D N +15084 C CA A VAL D 237 ? 0.6814 0.5566 0.5723 0.0439 -0.0518 0.0174 247 VAL D CA +15085 C CA B VAL D 237 ? 0.6799 0.5550 0.5708 0.0438 -0.0517 0.0174 247 VAL D CA +15086 C C A VAL D 237 ? 0.6995 0.5823 0.5978 0.0445 -0.0518 0.0153 247 VAL D C +15087 C C B VAL D 237 ? 0.6997 0.5824 0.5980 0.0445 -0.0518 0.0153 247 VAL D C +15088 O O A VAL D 237 ? 0.7177 0.6082 0.6221 0.0428 -0.0518 0.0141 247 VAL D O +15089 O O B VAL D 237 ? 0.7198 0.6102 0.6241 0.0430 -0.0519 0.0141 247 VAL D O +15090 C CB A VAL D 237 ? 0.7253 0.5974 0.6118 0.0484 -0.0546 0.0176 247 VAL D CB +15091 C CB B VAL D 237 ? 0.7247 0.5966 0.6111 0.0483 -0.0545 0.0177 247 VAL D CB +15092 C CG1 A VAL D 237 ? 0.7638 0.6446 0.6562 0.0505 -0.0571 0.0158 247 VAL D CG1 +15093 C CG1 B VAL D 237 ? 0.7650 0.6454 0.6570 0.0505 -0.0570 0.0158 247 VAL D CG1 +15094 C CG2 A VAL D 237 ? 0.7687 0.6346 0.6486 0.0475 -0.0546 0.0196 247 VAL D CG2 +15095 C CG2 B VAL D 237 ? 0.7688 0.6348 0.6489 0.0472 -0.0545 0.0197 247 VAL D CG2 +15096 N N A THR D 238 ? 0.6880 0.5686 0.5857 0.0469 -0.0517 0.0147 248 THR D N +15097 N N B THR D 238 ? 0.6866 0.5670 0.5843 0.0468 -0.0515 0.0147 248 THR D N +15098 C CA A THR D 238 ? 0.6897 0.5772 0.5942 0.0475 -0.0514 0.0127 248 THR D CA +15099 C CA B THR D 238 ? 0.6902 0.5776 0.5946 0.0474 -0.0513 0.0127 248 THR D CA +15100 C C A THR D 238 ? 0.7044 0.5950 0.6128 0.0429 -0.0487 0.0125 248 THR D C +15101 C C B THR D 238 ? 0.7054 0.5962 0.6139 0.0429 -0.0486 0.0124 248 THR D C +15102 O O A THR D 238 ? 0.7301 0.6286 0.6451 0.0419 -0.0484 0.0110 248 THR D O +15103 O O B THR D 238 ? 0.7327 0.6313 0.6478 0.0420 -0.0484 0.0109 248 THR D O +15104 C CB A THR D 238 ? 0.7484 0.6323 0.6508 0.0512 -0.0517 0.0121 248 THR D CB +15105 C CB B THR D 238 ? 0.7468 0.6303 0.6491 0.0510 -0.0515 0.0122 248 THR D CB +15106 O OG1 A THR D 238 ? 0.8271 0.7104 0.7276 0.0559 -0.0546 0.0118 248 THR D OG1 +15107 O OG1 B THR D 238 ? 0.8328 0.7154 0.7330 0.0557 -0.0544 0.0119 248 THR D OG1 +15108 C CG2 A THR D 238 ? 0.6662 0.5564 0.5751 0.0512 -0.0507 0.0102 248 THR D CG2 +15109 C CG2 B THR D 238 ? 0.6646 0.5545 0.5733 0.0511 -0.0506 0.0102 248 THR D CG2 +15110 N N A ALA D 239 ? 0.6609 0.5454 0.5652 0.0401 -0.0467 0.0139 249 ALA D N +15111 N N B ALA D 239 ? 0.6604 0.5451 0.5649 0.0400 -0.0466 0.0139 249 ALA D N +15112 C CA A ALA D 239 ? 0.6912 0.5782 0.5987 0.0358 -0.0443 0.0139 249 ALA D CA +15113 C CA B ALA D 239 ? 0.6912 0.5786 0.5991 0.0357 -0.0442 0.0138 249 ALA D CA +15114 C C A ALA D 239 ? 0.6935 0.5869 0.6052 0.0333 -0.0444 0.0136 249 ALA D C +15115 C C B ALA D 239 ? 0.6938 0.5876 0.6059 0.0332 -0.0443 0.0135 249 ALA D C +15116 O O A ALA D 239 ? 0.6472 0.5468 0.5645 0.0313 -0.0434 0.0125 249 ALA D O +15117 O O B ALA D 239 ? 0.6471 0.5471 0.5647 0.0313 -0.0434 0.0124 249 ALA D O +15118 C CB A ALA D 239 ? 0.6093 0.4886 0.5114 0.0332 -0.0425 0.0156 249 ALA D CB +15119 C CB B ALA D 239 ? 0.6108 0.4905 0.5134 0.0331 -0.0424 0.0154 249 ALA D CB +15120 N N A ASN D 240 ? 0.6422 0.5340 0.5510 0.0334 -0.0456 0.0146 250 ASN D N +15121 N N B ASN D 240 ? 0.6413 0.5332 0.5503 0.0332 -0.0455 0.0146 250 ASN D N +15122 C CA A ASN D 240 ? 0.6526 0.5498 0.5647 0.0312 -0.0458 0.0144 250 ASN D CA +15123 C CA B ASN D 240 ? 0.6509 0.5483 0.5633 0.0311 -0.0457 0.0144 250 ASN D CA +15124 C C A ASN D 240 ? 0.7031 0.6087 0.6217 0.0327 -0.0472 0.0124 250 ASN D C +15125 C C B ASN D 240 ? 0.7040 0.6097 0.6228 0.0326 -0.0471 0.0124 250 ASN D C +15126 O O A ASN D 240 ? 0.7150 0.6265 0.6386 0.0301 -0.0464 0.0117 250 ASN D O +15127 O O B ASN D 240 ? 0.7174 0.6290 0.6410 0.0301 -0.0464 0.0117 250 ASN D O +15128 C CB A ASN D 240 ? 0.6537 0.5470 0.5609 0.0316 -0.0470 0.0159 250 ASN D CB +15129 C CB B ASN D 240 ? 0.6526 0.5461 0.5601 0.0315 -0.0469 0.0159 250 ASN D CB +15130 C CG A ASN D 240 ? 0.7073 0.6061 0.6177 0.0298 -0.0475 0.0155 250 ASN D CG +15131 C CG B ASN D 240 ? 0.7081 0.6071 0.6188 0.0298 -0.0475 0.0155 250 ASN D CG +15132 O OD1 A ASN D 240 ? 0.6928 0.5969 0.6066 0.0316 -0.0495 0.0143 250 ASN D OD1 +15133 O OD1 B ASN D 240 ? 0.6932 0.5970 0.6068 0.0318 -0.0495 0.0143 250 ASN D OD1 +15134 N ND2 A ASN D 240 ? 0.6962 0.5937 0.6056 0.0262 -0.0458 0.0167 250 ASN D ND2 +15135 N ND2 B ASN D 240 ? 0.6977 0.5960 0.6079 0.0261 -0.0457 0.0165 250 ASN D ND2 +15136 N N A ARG D 241 ? 0.6725 0.5790 0.5914 0.0368 -0.0493 0.0115 251 ARG D N +15137 N N B ARG D 241 ? 0.6722 0.5785 0.5910 0.0367 -0.0491 0.0115 251 ARG D N +15138 C CA A ARG D 241 ? 0.7431 0.6582 0.6686 0.0380 -0.0506 0.0095 251 ARG D CA +15139 C CA B ARG D 241 ? 0.7448 0.6596 0.6702 0.0381 -0.0504 0.0095 251 ARG D CA +15140 C C A ARG D 241 ? 0.6605 0.5802 0.5914 0.0366 -0.0487 0.0081 251 ARG D C +15141 C C B ARG D 241 ? 0.6609 0.5805 0.5918 0.0368 -0.0486 0.0081 251 ARG D C +15142 O O A ARG D 241 ? 0.6724 0.5993 0.6092 0.0350 -0.0484 0.0069 251 ARG D O +15143 O O B ARG D 241 ? 0.6751 0.6020 0.6120 0.0354 -0.0485 0.0068 251 ARG D O +15144 C CB A ARG D 241 ? 0.6471 0.5625 0.5720 0.0429 -0.0533 0.0087 251 ARG D CB +15145 C CB B ARG D 241 ? 0.6444 0.5594 0.5690 0.0429 -0.0532 0.0087 251 ARG D CB +15146 C CG A ARG D 241 ? 0.7233 0.6474 0.6543 0.0438 -0.0551 0.0068 251 ARG D CG +15147 C CG B ARG D 241 ? 0.7240 0.6479 0.6551 0.0438 -0.0549 0.0068 251 ARG D CG +15148 C CD A ARG D 241 ? 0.9098 0.8361 0.8423 0.0485 -0.0574 0.0054 251 ARG D CD +15149 C CD B ARG D 241 ? 0.9151 0.8408 0.8471 0.0487 -0.0574 0.0055 251 ARG D CD +15150 N NE A ARG D 241 ? 0.8309 0.7659 0.7697 0.0493 -0.0592 0.0035 251 ARG D NE +15151 N NE B ARG D 241 ? 0.8380 0.7725 0.7765 0.0495 -0.0592 0.0035 251 ARG D NE +15152 C CZ A ARG D 241 ? 0.7428 0.6792 0.6810 0.0506 -0.0618 0.0033 251 ARG D CZ +15153 C CZ B ARG D 241 ? 0.7430 0.6793 0.6811 0.0505 -0.0617 0.0033 251 ARG D CZ +15154 N NH1 A ARG D 241 ? 0.7048 0.6346 0.6362 0.0508 -0.0627 0.0051 251 ARG D NH1 +15155 N NH1 B ARG D 241 ? 0.7026 0.6325 0.6341 0.0505 -0.0625 0.0051 251 ARG D NH1 +15156 N NH2 A ARG D 241 ? 0.6914 0.6360 0.6357 0.0519 -0.0636 0.0012 251 ARG D NH2 +15157 N NH2 B ARG D 241 ? 0.6895 0.6340 0.6339 0.0517 -0.0634 0.0013 251 ARG D NH2 +15158 N N A PHE D 242 ? 0.6845 0.6001 0.6134 0.0373 -0.0474 0.0084 252 PHE D N +15159 N N B PHE D 242 ? 0.6850 0.6004 0.6138 0.0372 -0.0472 0.0084 252 PHE D N +15160 C CA A PHE D 242 ? 0.6372 0.5566 0.5706 0.0361 -0.0455 0.0071 252 PHE D CA +15161 C CA B PHE D 242 ? 0.6381 0.5573 0.5714 0.0359 -0.0453 0.0072 252 PHE D CA +15162 C C A PHE D 242 ? 0.6483 0.5705 0.5843 0.0315 -0.0436 0.0074 252 PHE D C +15163 C C B PHE D 242 ? 0.6490 0.5713 0.5851 0.0314 -0.0435 0.0074 252 PHE D C +15164 O O A PHE D 242 ? 0.6568 0.5858 0.5986 0.0303 -0.0429 0.0060 252 PHE D O +15165 O O B PHE D 242 ? 0.6578 0.5869 0.5997 0.0303 -0.0429 0.0060 252 PHE D O +15166 C CB A PHE D 242 ? 0.6022 0.5153 0.5317 0.0372 -0.0444 0.0076 252 PHE D CB +15167 C CB B PHE D 242 ? 0.5980 0.5108 0.5274 0.0367 -0.0441 0.0077 252 PHE D CB +15168 C CG A PHE D 242 ? 0.6487 0.5645 0.5818 0.0357 -0.0422 0.0066 252 PHE D CG +15169 C CG B PHE D 242 ? 0.6517 0.5675 0.5849 0.0353 -0.0420 0.0066 252 PHE D CG +15170 C CD1 A PHE D 242 ? 0.6191 0.5399 0.5566 0.0383 -0.0425 0.0047 252 PHE D CD1 +15171 C CD1 B PHE D 242 ? 0.6196 0.5404 0.5572 0.0379 -0.0422 0.0047 252 PHE D CD1 +15172 C CD2 A PHE D 242 ? 0.6531 0.5668 0.5852 0.0319 -0.0400 0.0074 252 PHE D CD2 +15173 C CD2 B PHE D 242 ? 0.6545 0.5682 0.5868 0.0315 -0.0397 0.0074 252 PHE D CD2 +15174 C CE1 A PHE D 242 ? 0.6109 0.5342 0.5515 0.0369 -0.0403 0.0037 252 PHE D CE1 +15175 C CE1 B PHE D 242 ? 0.6118 0.5352 0.5525 0.0366 -0.0402 0.0037 252 PHE D CE1 +15176 C CE2 A PHE D 242 ? 0.6465 0.5627 0.5817 0.0306 -0.0381 0.0064 252 PHE D CE2 +15177 C CE2 B PHE D 242 ? 0.6441 0.5604 0.5795 0.0303 -0.0379 0.0063 252 PHE D CE2 +15178 C CZ A PHE D 242 ? 0.6606 0.5814 0.5998 0.0331 -0.0382 0.0046 252 PHE D CZ +15179 C CZ B PHE D 242 ? 0.6597 0.5807 0.5992 0.0328 -0.0380 0.0045 252 PHE D CZ +15180 N N A TRP D 243 ? 0.6346 0.5518 0.5665 0.0289 -0.0426 0.0091 253 TRP D N +15181 N N B TRP D 243 ? 0.6366 0.5540 0.5687 0.0287 -0.0425 0.0091 253 TRP D N +15182 C CA A TRP D 243 ? 0.6570 0.5765 0.5911 0.0247 -0.0407 0.0093 253 TRP D CA +15183 C CA B TRP D 243 ? 0.6547 0.5745 0.5892 0.0245 -0.0406 0.0092 253 TRP D CA +15184 C C A TRP D 243 ? 0.6840 0.6091 0.6216 0.0234 -0.0415 0.0088 253 TRP D C +15185 C C B TRP D 243 ? 0.6848 0.6102 0.6227 0.0232 -0.0414 0.0088 253 TRP D C +15186 O O A TRP D 243 ? 0.6071 0.5369 0.5489 0.0208 -0.0403 0.0082 253 TRP D O +15187 O O B TRP D 243 ? 0.6057 0.5357 0.5477 0.0207 -0.0402 0.0081 253 TRP D O +15188 C CB A TRP D 243 ? 0.6252 0.5379 0.5542 0.0224 -0.0394 0.0111 253 TRP D CB +15189 C CB B TRP D 243 ? 0.6227 0.5359 0.5521 0.0221 -0.0392 0.0111 253 TRP D CB +15190 C CG A TRP D 243 ? 0.6503 0.5590 0.5775 0.0224 -0.0379 0.0112 253 TRP D CG +15191 C CG B TRP D 243 ? 0.6503 0.5593 0.5778 0.0222 -0.0378 0.0111 253 TRP D CG +15192 C CD1 A TRP D 243 ? 0.6744 0.5758 0.5961 0.0237 -0.0379 0.0122 253 TRP D CD1 +15193 C CD1 B TRP D 243 ? 0.6737 0.5754 0.5957 0.0235 -0.0379 0.0122 253 TRP D CD1 +15194 C CD2 A TRP D 243 ? 0.6832 0.5947 0.6138 0.0210 -0.0362 0.0101 253 TRP D CD2 +15195 C CD2 B TRP D 243 ? 0.6831 0.5948 0.6138 0.0210 -0.0362 0.0101 253 TRP D CD2 +15196 N NE1 A TRP D 243 ? 0.6355 0.5352 0.5572 0.0231 -0.0364 0.0117 253 TRP D NE1 +15197 N NE1 B TRP D 243 ? 0.6352 0.5349 0.5569 0.0231 -0.0364 0.0118 253 TRP D NE1 +15198 C CE2 A TRP D 243 ? 0.6521 0.5579 0.5791 0.0216 -0.0354 0.0105 253 TRP D CE2 +15199 C CE2 B TRP D 243 ? 0.6520 0.5577 0.5789 0.0216 -0.0354 0.0105 253 TRP D CE2 +15200 C CE3 A TRP D 243 ? 0.6963 0.6143 0.6323 0.0193 -0.0353 0.0090 253 TRP D CE3 +15201 C CE3 B TRP D 243 ? 0.7006 0.6188 0.6368 0.0194 -0.0352 0.0089 253 TRP D CE3 +15202 C CZ2 A TRP D 243 ? 0.6391 0.5456 0.5677 0.0206 -0.0338 0.0097 253 TRP D CZ2 +15203 C CZ2 B TRP D 243 ? 0.6399 0.5461 0.5683 0.0209 -0.0338 0.0097 253 TRP D CZ2 +15204 C CZ3 A TRP D 243 ? 0.6574 0.5761 0.5949 0.0184 -0.0336 0.0082 253 TRP D CZ3 +15205 C CZ3 B TRP D 243 ? 0.6543 0.5729 0.5918 0.0186 -0.0335 0.0081 253 TRP D CZ3 +15206 C CH2 A TRP D 243 ? 0.6553 0.5684 0.5892 0.0191 -0.0329 0.0086 253 TRP D CH2 +15207 C CH2 B TRP D 243 ? 0.6553 0.5679 0.5889 0.0194 -0.0329 0.0085 253 TRP D CH2 +15208 N N A SER D 244 ? 0.6599 0.5845 0.5958 0.0251 -0.0436 0.0092 254 SER D N +15209 N N B SER D 244 ? 0.6605 0.5854 0.5966 0.0250 -0.0435 0.0091 254 SER D N +15210 C CA A SER D 244 ? 0.6263 0.5562 0.5654 0.0241 -0.0446 0.0086 254 SER D CA +15211 C CA B SER D 244 ? 0.6246 0.5549 0.5640 0.0240 -0.0445 0.0085 254 SER D CA +15212 C C A SER D 244 ? 0.6203 0.5581 0.5662 0.0246 -0.0448 0.0065 254 SER D C +15213 C C B SER D 244 ? 0.6189 0.5570 0.5652 0.0245 -0.0447 0.0064 254 SER D C +15214 O O A SER D 244 ? 0.6807 0.6234 0.6306 0.0221 -0.0442 0.0058 254 SER D O +15215 O O B SER D 244 ? 0.6831 0.6261 0.6333 0.0221 -0.0441 0.0057 254 SER D O +15216 C CB A SER D 244 ? 0.6209 0.5489 0.5568 0.0264 -0.0470 0.0091 254 SER D CB +15217 C CB B SER D 244 ? 0.6181 0.5465 0.5544 0.0262 -0.0470 0.0090 254 SER D CB +15218 O OG A SER D 244 ? 0.6848 0.6056 0.6144 0.0256 -0.0466 0.0111 254 SER D OG +15219 O OG B SER D 244 ? 0.6867 0.6077 0.6164 0.0257 -0.0466 0.0110 254 SER D OG +15220 N N A GLN D 245 ? 0.6843 0.6232 0.6316 0.0277 -0.0455 0.0054 255 GLN D N +15221 N N B GLN D 245 ? 0.6858 0.6250 0.6333 0.0277 -0.0455 0.0053 255 GLN D N +15222 C CA A GLN D 245 ? 0.6440 0.5906 0.5979 0.0284 -0.0457 0.0033 255 GLN D CA +15223 C CA B GLN D 245 ? 0.6433 0.5901 0.5975 0.0285 -0.0457 0.0032 255 GLN D CA +15224 C C A GLN D 245 ? 0.6274 0.5762 0.5845 0.0263 -0.0430 0.0027 255 GLN D C +15225 C C B GLN D 245 ? 0.6273 0.5763 0.5846 0.0264 -0.0431 0.0026 255 GLN D C +15226 O O A GLN D 245 ? 0.6615 0.6169 0.6243 0.0253 -0.0425 0.0012 255 GLN D O +15227 O O B GLN D 245 ? 0.6650 0.6206 0.6280 0.0256 -0.0426 0.0010 255 GLN D O +15228 C CB A GLN D 245 ? 0.6851 0.6326 0.6396 0.0330 -0.0477 0.0023 255 GLN D CB +15229 C CB B GLN D 245 ? 0.6858 0.6334 0.6403 0.0331 -0.0478 0.0022 255 GLN D CB +15230 C CG A GLN D 245 ? 0.7828 0.7294 0.7348 0.0355 -0.0507 0.0025 255 GLN D CG +15231 C CG B GLN D 245 ? 0.7850 0.7316 0.7370 0.0355 -0.0507 0.0025 255 GLN D CG +15232 C CD A GLN D 245 ? 0.7340 0.6820 0.6869 0.0402 -0.0529 0.0013 255 GLN D CD +15233 C CD B GLN D 245 ? 0.7343 0.6825 0.6874 0.0402 -0.0529 0.0013 255 GLN D CD +15234 O OE1 A GLN D 245 ? 0.7629 0.7050 0.7110 0.0429 -0.0533 0.0021 255 GLN D OE1 +15235 O OE1 B GLN D 245 ? 0.7637 0.7062 0.7121 0.0430 -0.0534 0.0020 255 GLN D OE1 +15236 N NE2 A GLN D 245 ? 0.7044 0.6602 0.6634 0.0413 -0.0542 -0.0006 255 GLN D NE2 +15237 N NE2 B GLN D 245 ? 0.7045 0.6607 0.6638 0.0412 -0.0542 -0.0007 255 GLN D NE2 +15238 N N A ILE D 246 ? 0.6602 0.6034 0.6136 0.0255 -0.0414 0.0038 256 ILE D N +15239 N N B ILE D 246 ? 0.6609 0.6044 0.6145 0.0255 -0.0414 0.0037 256 ILE D N +15240 C CA A ILE D 246 ? 0.6456 0.5903 0.6014 0.0235 -0.0389 0.0032 256 ILE D CA +15241 C CA B ILE D 246 ? 0.6448 0.5897 0.6007 0.0235 -0.0389 0.0031 256 ILE D CA +15242 C C A ILE D 246 ? 0.7142 0.6600 0.6709 0.0193 -0.0374 0.0038 256 ILE D C +15243 C C B ILE D 246 ? 0.7167 0.6626 0.6734 0.0193 -0.0374 0.0038 256 ILE D C +15244 O O A ILE D 246 ? 0.6350 0.5857 0.5960 0.0175 -0.0361 0.0028 256 ILE D O +15245 O O B ILE D 246 ? 0.6351 0.5858 0.5961 0.0175 -0.0360 0.0028 256 ILE D O +15246 C CB A ILE D 246 ? 0.6606 0.5989 0.6120 0.0244 -0.0379 0.0040 256 ILE D CB +15247 C CB B ILE D 246 ? 0.6617 0.6002 0.6133 0.0245 -0.0379 0.0039 256 ILE D CB +15248 C CG1 A ILE D 246 ? 0.6859 0.6239 0.6373 0.0287 -0.0391 0.0030 256 ILE D CG1 +15249 C CG1 B ILE D 246 ? 0.6876 0.6262 0.6394 0.0288 -0.0391 0.0029 256 ILE D CG1 +15250 C CG2 A ILE D 246 ? 0.6321 0.5705 0.5845 0.0217 -0.0353 0.0038 256 ILE D CG2 +15251 C CG2 B ILE D 246 ? 0.6320 0.5707 0.5847 0.0217 -0.0353 0.0038 256 ILE D CG2 +15252 C CD1 A ILE D 246 ? 0.5771 0.5220 0.5345 0.0297 -0.0385 0.0010 256 ILE D CD1 +15253 C CD1 B ILE D 246 ? 0.5729 0.5186 0.5309 0.0297 -0.0385 0.0008 256 ILE D CD1 +15254 N N A PHE D 247 ? 0.6905 0.6318 0.6429 0.0178 -0.0376 0.0054 257 PHE D N +15255 N N B PHE D 247 ? 0.6922 0.6334 0.6446 0.0178 -0.0375 0.0054 257 PHE D N +15256 C CA A PHE D 247 ? 0.7058 0.6464 0.6578 0.0141 -0.0360 0.0063 257 PHE D CA +15257 C CA B PHE D 247 ? 0.7069 0.6475 0.6589 0.0141 -0.0360 0.0063 257 PHE D CA +15258 C C A PHE D 247 ? 0.6794 0.6215 0.6315 0.0127 -0.0370 0.0068 257 PHE D C +15259 C C B PHE D 247 ? 0.6796 0.6219 0.6319 0.0127 -0.0370 0.0067 257 PHE D C +15260 O O A PHE D 247 ? 0.7443 0.6868 0.6967 0.0096 -0.0358 0.0073 257 PHE D O +15261 O O B PHE D 247 ? 0.7500 0.6932 0.7031 0.0096 -0.0357 0.0071 257 PHE D O +15262 C CB A PHE D 247 ? 0.6347 0.5683 0.5815 0.0132 -0.0350 0.0078 257 PHE D CB +15263 C CB B PHE D 247 ? 0.6343 0.5679 0.5811 0.0132 -0.0350 0.0079 257 PHE D CB +15264 C CG A PHE D 247 ? 0.6444 0.5773 0.5908 0.0095 -0.0332 0.0086 257 PHE D CG +15265 C CG B PHE D 247 ? 0.6446 0.5775 0.5911 0.0096 -0.0332 0.0086 257 PHE D CG +15266 C CD1 A PHE D 247 ? 0.6514 0.5874 0.6010 0.0077 -0.0316 0.0078 257 PHE D CD1 +15267 C CD1 B PHE D 247 ? 0.6511 0.5875 0.6010 0.0078 -0.0316 0.0077 257 PHE D CD1 +15268 C CD2 A PHE D 247 ? 0.6675 0.5962 0.6101 0.0080 -0.0332 0.0102 257 PHE D CD2 +15269 C CD2 B PHE D 247 ? 0.6682 0.5969 0.6109 0.0080 -0.0331 0.0102 257 PHE D CD2 +15270 C CE1 A PHE D 247 ? 0.6446 0.5798 0.5936 0.0046 -0.0301 0.0085 257 PHE D CE1 +15271 C CE1 B PHE D 247 ? 0.6446 0.5802 0.5939 0.0047 -0.0302 0.0084 257 PHE D CE1 +15272 C CE2 A PHE D 247 ? 0.6361 0.5643 0.5785 0.0049 -0.0317 0.0108 257 PHE D CE2 +15273 C CE2 B PHE D 247 ? 0.6357 0.5640 0.5782 0.0048 -0.0316 0.0108 257 PHE D CE2 +15274 C CZ A PHE D 247 ? 0.6448 0.5761 0.5903 0.0033 -0.0303 0.0100 257 PHE D CZ +15275 C CZ B PHE D 247 ? 0.6445 0.5762 0.5903 0.0032 -0.0302 0.0099 257 PHE D CZ +15276 N N . GLY D 248 ? 0.6314 0.5741 0.5830 0.0149 -0.0392 0.0066 258 GLY D N +15277 C CA . GLY D 248 ? 0.5741 0.5183 0.5258 0.0137 -0.0402 0.0069 258 GLY D CA +15278 C C . GLY D 248 ? 0.6334 0.5715 0.5792 0.0139 -0.0409 0.0087 258 GLY D C +15279 O O . GLY D 248 ? 0.6813 0.6193 0.6258 0.0151 -0.0427 0.0089 258 GLY D O +15280 N N A ILE D 249 ? 0.6856 0.6186 0.6279 0.0126 -0.0394 0.0100 259 ILE D N +15281 N N B ILE D 249 ? 0.6848 0.6178 0.6271 0.0127 -0.0394 0.0100 259 ILE D N +15282 C CA A ILE D 249 ? 0.6955 0.6224 0.6321 0.0125 -0.0396 0.0118 259 ILE D CA +15283 C CA B ILE D 249 ? 0.6955 0.6224 0.6322 0.0126 -0.0396 0.0118 259 ILE D CA +15284 C C A ILE D 249 ? 0.7595 0.6808 0.6924 0.0140 -0.0392 0.0125 259 ILE D C +15285 C C B ILE D 249 ? 0.7622 0.6834 0.6951 0.0140 -0.0392 0.0125 259 ILE D C +15286 O O A ILE D 249 ? 0.7307 0.6523 0.6651 0.0143 -0.0383 0.0118 259 ILE D O +15287 O O B ILE D 249 ? 0.7322 0.6539 0.6667 0.0143 -0.0382 0.0118 259 ILE D O +15288 C CB A ILE D 249 ? 0.7720 0.6978 0.7077 0.0091 -0.0381 0.0129 259 ILE D CB +15289 C CB B ILE D 249 ? 0.7734 0.6993 0.7092 0.0090 -0.0380 0.0128 259 ILE D CB +15290 C CG1 A ILE D 249 ? 0.7148 0.6408 0.6520 0.0068 -0.0359 0.0127 259 ILE D CG1 +15291 C CG1 B ILE D 249 ? 0.7143 0.6404 0.6516 0.0069 -0.0359 0.0127 259 ILE D CG1 +15292 C CG2 A ILE D 249 ? 0.7193 0.6497 0.6577 0.0078 -0.0387 0.0123 259 ILE D CG2 +15293 C CG2 B ILE D 249 ? 0.7182 0.6489 0.6570 0.0078 -0.0386 0.0122 259 ILE D CG2 +15294 C CD1 A ILE D 249 ? 0.8349 0.7553 0.7680 0.0054 -0.0347 0.0142 259 ILE D CD1 +15295 C CD1 B ILE D 249 ? 0.8524 0.7725 0.7855 0.0060 -0.0347 0.0141 259 ILE D CD1 +15296 N N A ALA D 250 ? 0.6640 0.5797 0.5917 0.0148 -0.0398 0.0139 260 ALA D N +15297 N N B ALA D 250 ? 0.6632 0.5788 0.5908 0.0149 -0.0398 0.0139 260 ALA D N +15298 C CA A ALA D 250 ? 0.6513 0.5607 0.5746 0.0161 -0.0394 0.0148 260 ALA D CA +15299 C CA B ALA D 250 ? 0.6513 0.5608 0.5747 0.0163 -0.0395 0.0147 260 ALA D CA +15300 C C A ALA D 250 ? 0.6749 0.5783 0.5927 0.0150 -0.0391 0.0166 260 ALA D C +15301 C C B ALA D 250 ? 0.6745 0.5779 0.5923 0.0153 -0.0391 0.0166 260 ALA D C +15302 O O A ALA D 250 ? 0.7099 0.6140 0.6268 0.0145 -0.0397 0.0172 260 ALA D O +15303 O O B ALA D 250 ? 0.7108 0.6147 0.6276 0.0147 -0.0397 0.0171 260 ALA D O +15304 C CB A ALA D 250 ? 0.6505 0.5594 0.5731 0.0202 -0.0413 0.0140 260 ALA D CB +15305 C CB B ALA D 250 ? 0.6482 0.5575 0.5711 0.0204 -0.0414 0.0139 260 ALA D CB +15306 N N A PHE D 251 ? 0.6669 0.5646 0.5811 0.0145 -0.0379 0.0176 261 PHE D N +15307 N N B PHE D 251 ? 0.6646 0.5622 0.5787 0.0149 -0.0380 0.0175 261 PHE D N +15308 C CA A PHE D 251 ? 0.6709 0.5623 0.5793 0.0141 -0.0376 0.0193 261 PHE D CA +15309 C CA B PHE D 251 ? 0.6711 0.5623 0.5795 0.0144 -0.0377 0.0193 261 PHE D CA +15310 C C A PHE D 251 ? 0.7585 0.6472 0.6634 0.0177 -0.0397 0.0196 261 PHE D C +15311 C C B PHE D 251 ? 0.7606 0.6491 0.6653 0.0179 -0.0398 0.0196 261 PHE D C +15312 O O A PHE D 251 ? 0.6919 0.5812 0.5974 0.0207 -0.0411 0.0187 261 PHE D O +15313 O O B PHE D 251 ? 0.6915 0.5805 0.5968 0.0210 -0.0412 0.0187 261 PHE D O +15314 C CB A PHE D 251 ? 0.6800 0.5655 0.5851 0.0131 -0.0361 0.0201 261 PHE D CB +15315 C CB B PHE D 251 ? 0.6792 0.5647 0.5845 0.0134 -0.0361 0.0200 261 PHE D CB +15316 C CG A PHE D 251 ? 0.6869 0.5738 0.5943 0.0094 -0.0341 0.0202 261 PHE D CG +15317 C CG B PHE D 251 ? 0.6887 0.5755 0.5961 0.0097 -0.0341 0.0201 261 PHE D CG +15318 C CD1 A PHE D 251 ? 0.6825 0.5685 0.5887 0.0066 -0.0329 0.0213 261 PHE D CD1 +15319 C CD1 B PHE D 251 ? 0.6831 0.5692 0.5895 0.0069 -0.0331 0.0212 261 PHE D CD1 +15320 C CD2 A PHE D 251 ? 0.6720 0.5609 0.5824 0.0090 -0.0333 0.0191 261 PHE D CD2 +15321 C CD2 B PHE D 251 ? 0.6682 0.5567 0.5784 0.0092 -0.0333 0.0191 261 PHE D CD2 +15322 C CE1 A PHE D 251 ? 0.6884 0.5758 0.5967 0.0034 -0.0312 0.0213 261 PHE D CE1 +15323 C CE1 B PHE D 251 ? 0.6908 0.5783 0.5992 0.0037 -0.0314 0.0212 261 PHE D CE1 +15324 C CE2 A PHE D 251 ? 0.7195 0.6096 0.6317 0.0057 -0.0316 0.0191 261 PHE D CE2 +15325 C CE2 B PHE D 251 ? 0.7196 0.6091 0.6315 0.0059 -0.0316 0.0191 261 PHE D CE2 +15326 C CZ A PHE D 251 ? 0.6388 0.5283 0.5501 0.0030 -0.0306 0.0202 261 PHE D CZ +15327 C CZ B PHE D 251 ? 0.6403 0.5294 0.5514 0.0032 -0.0307 0.0201 261 PHE D CZ +15328 N N A SER D 252 ? 0.7116 0.5974 0.6127 0.0174 -0.0400 0.0209 262 SER D N +15329 N N B SER D 252 ? 0.7121 0.5977 0.6131 0.0174 -0.0400 0.0209 262 SER D N +15330 C CA A SER D 252 ? 0.7403 0.6216 0.6364 0.0205 -0.0418 0.0216 262 SER D CA +15331 C CA B SER D 252 ? 0.7414 0.6227 0.6375 0.0204 -0.0417 0.0216 262 SER D CA +15332 C C A SER D 252 ? 0.7761 0.6493 0.6655 0.0197 -0.0406 0.0235 262 SER D C +15333 C C B SER D 252 ? 0.7774 0.6506 0.6667 0.0195 -0.0405 0.0235 262 SER D C +15334 O O A SER D 252 ? 0.7843 0.6523 0.6686 0.0223 -0.0417 0.0242 262 SER D O +15335 O O B SER D 252 ? 0.7876 0.6556 0.6718 0.0222 -0.0417 0.0243 262 SER D O +15336 C CB A SER D 252 ? 0.6451 0.5300 0.5420 0.0216 -0.0436 0.0212 262 SER D CB +15337 C CB B SER D 252 ? 0.6419 0.5272 0.5392 0.0214 -0.0435 0.0212 262 SER D CB +15338 O OG A SER D 252 ? 0.6930 0.5771 0.5883 0.0189 -0.0425 0.0223 262 SER D OG +15339 O OG B SER D 252 ? 0.6923 0.5767 0.5879 0.0187 -0.0424 0.0223 262 SER D OG +15340 N N A ASN D 253 ? 0.7433 0.6153 0.6326 0.0160 -0.0383 0.0243 263 ASN D N +15341 N N B ASN D 253 ? 0.7430 0.6151 0.6323 0.0159 -0.0383 0.0244 263 ASN D N +15342 C CA A ASN D 253 ? 0.7256 0.5906 0.6092 0.0147 -0.0369 0.0261 263 ASN D CA +15343 C CA B ASN D 253 ? 0.7255 0.5905 0.6090 0.0145 -0.0369 0.0262 263 ASN D CA +15344 C C A ASN D 253 ? 0.7703 0.6321 0.6536 0.0130 -0.0351 0.0262 263 ASN D C +15345 C C B ASN D 253 ? 0.7706 0.6325 0.6539 0.0127 -0.0350 0.0263 263 ASN D C +15346 O O A ASN D 253 ? 0.7149 0.5805 0.6024 0.0103 -0.0339 0.0256 263 ASN D O +15347 O O B ASN D 253 ? 0.7119 0.5773 0.5992 0.0100 -0.0337 0.0258 263 ASN D O +15348 C CB A ASN D 253 ? 0.6980 0.5643 0.5816 0.0118 -0.0358 0.0269 263 ASN D CB +15349 C CB B ASN D 253 ? 0.6955 0.5618 0.5791 0.0117 -0.0357 0.0270 263 ASN D CB +15350 C CG A ASN D 253 ? 0.7539 0.6130 0.6315 0.0105 -0.0342 0.0288 263 ASN D CG +15351 C CG B ASN D 253 ? 0.7535 0.6127 0.6310 0.0104 -0.0343 0.0288 263 ASN D CG +15352 O OD1 A ASN D 253 ? 0.7681 0.6230 0.6439 0.0090 -0.0327 0.0294 263 ASN D OD1 +15353 O OD1 B ASN D 253 ? 0.7754 0.6305 0.6512 0.0089 -0.0327 0.0294 263 ASN D OD1 +15354 N ND2 A ASN D 253 ? 0.7266 0.5841 0.6009 0.0109 -0.0346 0.0297 263 ASN D ND2 +15355 N ND2 B ASN D 253 ? 0.7268 0.5844 0.6010 0.0111 -0.0348 0.0297 263 ASN D ND2 +15356 N N A LYS D 254 ? 0.7926 0.6474 0.6707 0.0145 -0.0351 0.0270 264 LYS D N +15357 N N B LYS D 254 ? 0.7930 0.6479 0.6712 0.0144 -0.0351 0.0271 264 LYS D N +15358 C CA A LYS D 254 ? 0.7884 0.6397 0.6659 0.0133 -0.0337 0.0270 264 LYS D CA +15359 C CA B LYS D 254 ? 0.7894 0.6409 0.6670 0.0132 -0.0337 0.0270 264 LYS D CA +15360 C C A LYS D 254 ? 0.6998 0.5487 0.5762 0.0091 -0.0313 0.0281 264 LYS D C +15361 C C B LYS D 254 ? 0.6983 0.5473 0.5747 0.0091 -0.0313 0.0281 264 LYS D C +15362 O O A LYS D 254 ? 0.7405 0.5893 0.6186 0.0070 -0.0300 0.0277 264 LYS D O +15363 O O B LYS D 254 ? 0.7415 0.5901 0.6194 0.0070 -0.0300 0.0277 264 LYS D O +15364 C CB A LYS D 254 ? 0.7953 0.6393 0.6672 0.0163 -0.0345 0.0275 264 LYS D CB +15365 C CB B LYS D 254 ? 0.7954 0.6397 0.6674 0.0163 -0.0345 0.0275 264 LYS D CB +15366 C CG A LYS D 254 ? 0.9469 0.7863 0.8172 0.0154 -0.0332 0.0275 264 LYS D CG +15367 C CG B LYS D 254 ? 0.9463 0.7860 0.8168 0.0152 -0.0332 0.0275 264 LYS D CG +15368 C CD A LYS D 254 ? 1.0523 0.8835 0.9160 0.0184 -0.0339 0.0283 264 LYS D CD +15369 C CD B LYS D 254 ? 1.0555 0.8871 0.9196 0.0183 -0.0339 0.0282 264 LYS D CD +15370 C CE A LYS D 254 ? 1.0468 0.8798 0.9109 0.0231 -0.0364 0.0273 264 LYS D CE +15371 C CE B LYS D 254 ? 1.0472 0.8811 0.9120 0.0230 -0.0364 0.0272 264 LYS D CE +15372 N NZ A LYS D 254 ? 1.1357 0.9606 0.9937 0.0261 -0.0370 0.0279 264 LYS D NZ +15373 N NZ B LYS D 254 ? 1.1483 0.9745 1.0074 0.0261 -0.0371 0.0276 264 LYS D NZ +15374 N N A ARG D 255 ? 0.6588 0.5060 0.5325 0.0080 -0.0308 0.0294 265 ARG D N +15375 N N B ARG D 255 ? 0.6573 0.5047 0.5311 0.0078 -0.0307 0.0294 265 ARG D N +15376 C CA A ARG D 255 ? 0.7842 0.6301 0.6575 0.0040 -0.0285 0.0303 265 ARG D CA +15377 C CA B ARG D 255 ? 0.7880 0.6341 0.6615 0.0039 -0.0284 0.0303 265 ARG D CA +15378 C C A ARG D 255 ? 0.7686 0.6220 0.6484 0.0015 -0.0278 0.0293 265 ARG D C +15379 C C B ARG D 255 ? 0.7696 0.6232 0.6495 0.0014 -0.0278 0.0293 265 ARG D C +15380 O O A ARG D 255 ? 0.7075 0.5612 0.5891 -0.0014 -0.0263 0.0291 265 ARG D O +15381 O O B ARG D 255 ? 0.7072 0.5612 0.5889 -0.0015 -0.0262 0.0292 265 ARG D O +15382 C CB A ARG D 255 ? 0.6993 0.5414 0.5679 0.0036 -0.0279 0.0319 265 ARG D CB +15383 C CB B ARG D 255 ? 0.6966 0.5388 0.5653 0.0035 -0.0279 0.0319 265 ARG D CB +15384 C CG A ARG D 255 ? 0.7565 0.5901 0.6179 0.0057 -0.0282 0.0330 265 ARG D CG +15385 C CG B ARG D 255 ? 0.7562 0.5901 0.6178 0.0058 -0.0283 0.0330 265 ARG D CG +15386 C CD A ARG D 255 ? 0.8554 0.6844 0.7114 0.0051 -0.0273 0.0348 265 ARG D CD +15387 C CD B ARG D 255 ? 0.8565 0.6857 0.7128 0.0050 -0.0273 0.0347 265 ARG D CD +15388 N NE A ARG D 255 ? 0.8362 0.6562 0.6851 0.0063 -0.0270 0.0360 265 ARG D NE +15389 N NE B ARG D 255 ? 0.8375 0.6577 0.6866 0.0063 -0.0270 0.0360 265 ARG D NE +15390 C CZ A ARG D 255 ? 0.9067 0.7207 0.7503 0.0047 -0.0252 0.0377 265 ARG D CZ +15391 C CZ B ARG D 255 ? 0.9092 0.7233 0.7529 0.0049 -0.0253 0.0376 265 ARG D CZ +15392 N NH1 A ARG D 255 ? 0.7826 0.5989 0.6272 0.0020 -0.0237 0.0383 265 ARG D NH1 +15393 N NH1 B ARG D 255 ? 0.7827 0.5988 0.6270 0.0023 -0.0239 0.0383 265 ARG D NH1 +15394 N NH2 A ARG D 255 ? 0.8592 0.6646 0.6963 0.0058 -0.0249 0.0387 265 ARG D NH2 +15395 N NH2 B ARG D 255 ? 0.8575 0.6630 0.6948 0.0060 -0.0250 0.0387 265 ARG D NH2 +15396 N N A TRP D 256 ? 0.6554 0.5146 0.5385 0.0025 -0.0291 0.0286 266 TRP D N +15397 N N B TRP D 256 ? 0.6532 0.5128 0.5365 0.0025 -0.0291 0.0285 266 TRP D N +15398 C CA A TRP D 256 ? 0.6723 0.5386 0.5614 0.0004 -0.0286 0.0275 266 TRP D CA +15399 C CA B TRP D 256 ? 0.6709 0.5375 0.5602 0.0004 -0.0287 0.0275 266 TRP D CA +15400 C C A TRP D 256 ? 0.6925 0.5609 0.5851 0.0002 -0.0285 0.0263 266 TRP D C +15401 C C B TRP D 256 ? 0.6933 0.5618 0.5859 0.0002 -0.0285 0.0263 266 TRP D C +15402 O O A TRP D 256 ? 0.6907 0.5613 0.5861 -0.0025 -0.0272 0.0260 266 TRP D O +15403 O O B TRP D 256 ? 0.6928 0.5636 0.5883 -0.0026 -0.0272 0.0260 266 TRP D O +15404 C CB A TRP D 256 ? 0.6324 0.5040 0.5240 0.0019 -0.0302 0.0269 266 TRP D CB +15405 C CB B TRP D 256 ? 0.6298 0.5017 0.5217 0.0020 -0.0303 0.0268 266 TRP D CB +15406 C CG A TRP D 256 ? 0.6645 0.5431 0.5621 0.0004 -0.0300 0.0257 266 TRP D CG +15407 C CG B TRP D 256 ? 0.6637 0.5425 0.5615 0.0004 -0.0301 0.0256 266 TRP D CG +15408 C CD1 A TRP D 256 ? 0.6503 0.5340 0.5521 0.0019 -0.0313 0.0242 266 TRP D CD1 +15409 C CD1 B TRP D 256 ? 0.6501 0.5341 0.5522 0.0018 -0.0312 0.0241 266 TRP D CD1 +15410 C CD2 A TRP D 256 ? 0.6600 0.5410 0.5600 -0.0028 -0.0285 0.0258 266 TRP D CD2 +15411 C CD2 B TRP D 256 ? 0.6594 0.5407 0.5596 -0.0029 -0.0285 0.0258 266 TRP D CD2 +15412 N NE1 A TRP D 256 ? 0.6707 0.5595 0.5770 -0.0004 -0.0305 0.0235 266 TRP D NE1 +15413 N NE1 B TRP D 256 ? 0.6715 0.5605 0.5779 -0.0005 -0.0304 0.0235 266 TRP D NE1 +15414 C CE2 A TRP D 256 ? 0.6760 0.5633 0.5812 -0.0031 -0.0289 0.0245 266 TRP D CE2 +15415 C CE2 B TRP D 256 ? 0.6765 0.5640 0.5819 -0.0032 -0.0288 0.0244 266 TRP D CE2 +15416 C CE3 A TRP D 256 ? 0.7099 0.5886 0.6082 -0.0055 -0.0267 0.0269 266 TRP D CE3 +15417 C CE3 B TRP D 256 ? 0.7103 0.5892 0.6087 -0.0055 -0.0267 0.0269 266 TRP D CE3 +15418 C CZ2 A TRP D 256 ? 0.6242 0.5151 0.5327 -0.0058 -0.0277 0.0242 266 TRP D CZ2 +15419 C CZ2 B TRP D 256 ? 0.6232 0.5141 0.5317 -0.0059 -0.0277 0.0242 266 TRP D CZ2 +15420 C CZ3 A TRP D 256 ? 0.6696 0.5524 0.5715 -0.0081 -0.0256 0.0266 266 TRP D CZ3 +15421 C CZ3 B TRP D 256 ? 0.6693 0.5522 0.5713 -0.0081 -0.0256 0.0266 266 TRP D CZ3 +15422 C CH2 A TRP D 256 ? 0.6781 0.5667 0.5848 -0.0082 -0.0262 0.0253 266 TRP D CH2 +15423 C CH2 B TRP D 256 ? 0.6783 0.5669 0.5850 -0.0082 -0.0262 0.0253 266 TRP D CH2 +15424 N N A LEU D 257 ? 0.6965 0.5640 0.5886 0.0031 -0.0298 0.0255 267 LEU D N +15425 N N B LEU D 257 ? 0.6971 0.5647 0.5894 0.0031 -0.0298 0.0255 267 LEU D N +15426 C CA A LEU D 257 ? 0.6593 0.5285 0.5544 0.0032 -0.0296 0.0243 267 LEU D CA +15427 C CA B LEU D 257 ? 0.6586 0.5278 0.5537 0.0031 -0.0296 0.0243 267 LEU D CA +15428 C C A LEU D 257 ? 0.6973 0.5628 0.5911 0.0005 -0.0279 0.0247 267 LEU D C +15429 C C B LEU D 257 ? 0.6987 0.5642 0.5925 0.0004 -0.0278 0.0247 267 LEU D C +15430 O O A LEU D 257 ? 0.6610 0.5297 0.5583 -0.0013 -0.0271 0.0239 267 LEU D O +15431 O O B LEU D 257 ? 0.6611 0.5300 0.5586 -0.0015 -0.0270 0.0239 267 LEU D O +15432 C CB A LEU D 257 ? 0.7074 0.5747 0.6011 0.0069 -0.0311 0.0237 267 LEU D CB +15433 C CB B LEU D 257 ? 0.7075 0.5746 0.6010 0.0068 -0.0311 0.0237 267 LEU D CB +15434 C CG A LEU D 257 ? 0.7383 0.6079 0.6351 0.0080 -0.0313 0.0222 267 LEU D CG +15435 C CG B LEU D 257 ? 0.7381 0.6078 0.6350 0.0079 -0.0313 0.0222 267 LEU D CG +15436 C CD1 A LEU D 257 ? 0.7198 0.5879 0.6150 0.0122 -0.0330 0.0217 267 LEU D CD1 +15437 C CD1 B LEU D 257 ? 0.7261 0.5953 0.6221 0.0121 -0.0331 0.0216 267 LEU D CD1 +15438 C CD2 A LEU D 257 ? 0.7624 0.6281 0.6578 0.0062 -0.0298 0.0222 267 LEU D CD2 +15439 C CD2 B LEU D 257 ? 0.7647 0.6303 0.6601 0.0063 -0.0299 0.0222 267 LEU D CD2 +15440 N N A HIS D 258 ? 0.6618 0.5205 0.5504 0.0002 -0.0272 0.0260 268 HIS D N +15441 N N B HIS D 258 ? 0.6611 0.5198 0.5498 0.0001 -0.0272 0.0260 268 HIS D N +15442 C CA A HIS D 258 ? 0.7062 0.5610 0.5935 -0.0024 -0.0256 0.0263 268 HIS D CA +15443 C CA B HIS D 258 ? 0.7076 0.5625 0.5950 -0.0024 -0.0256 0.0262 268 HIS D CA +15444 C C A HIS D 258 ? 0.6750 0.5320 0.5641 -0.0062 -0.0241 0.0267 268 HIS D C +15445 C C B HIS D 258 ? 0.6753 0.5322 0.5644 -0.0062 -0.0241 0.0268 268 HIS D C +15446 O O A HIS D 258 ? 0.6546 0.5118 0.5452 -0.0086 -0.0230 0.0264 268 HIS D O +15447 O O B HIS D 258 ? 0.6540 0.5109 0.5444 -0.0086 -0.0230 0.0264 268 HIS D O +15448 C CB A HIS D 258 ? 0.6382 0.4846 0.5191 -0.0014 -0.0254 0.0273 268 HIS D CB +15449 C CB B HIS D 258 ? 0.6362 0.4826 0.5172 -0.0014 -0.0254 0.0273 268 HIS D CB +15450 C CG A HIS D 258 ? 0.6592 0.5031 0.5386 0.0021 -0.0267 0.0266 268 HIS D CG +15451 C CG B HIS D 258 ? 0.6593 0.5034 0.5389 0.0021 -0.0267 0.0266 268 HIS D CG +15452 N ND1 A HIS D 258 ? 0.7018 0.5462 0.5802 0.0058 -0.0285 0.0265 268 HIS D ND1 +15453 N ND1 B HIS D 258 ? 0.7025 0.5469 0.5809 0.0058 -0.0285 0.0266 268 HIS D ND1 +15454 C CD2 A HIS D 258 ? 0.6506 0.4920 0.5296 0.0026 -0.0265 0.0259 268 HIS D CD2 +15455 C CD2 B HIS D 258 ? 0.6492 0.4908 0.5283 0.0027 -0.0266 0.0258 268 HIS D CD2 +15456 C CE1 A HIS D 258 ? 0.6457 0.4881 0.5233 0.0084 -0.0293 0.0257 268 HIS D CE1 +15457 C CE1 B HIS D 258 ? 0.6431 0.4857 0.5207 0.0085 -0.0294 0.0258 268 HIS D CE1 +15458 N NE2 A HIS D 258 ? 0.6677 0.5081 0.5455 0.0066 -0.0281 0.0254 268 HIS D NE2 +15459 N NE2 B HIS D 258 ? 0.6669 0.5076 0.5448 0.0067 -0.0282 0.0253 268 HIS D NE2 +15460 N N A PHE D 259 ? 0.6225 0.4814 0.5116 -0.0067 -0.0240 0.0275 269 PHE D N +15461 N N B PHE D 259 ? 0.6204 0.4792 0.5094 -0.0067 -0.0240 0.0275 269 PHE D N +15462 C CA A PHE D 259 ? 0.6760 0.5380 0.5677 -0.0100 -0.0227 0.0277 269 PHE D CA +15463 C CA B PHE D 259 ? 0.6761 0.5380 0.5677 -0.0100 -0.0227 0.0277 269 PHE D CA +15464 C C A PHE D 259 ? 0.6671 0.5358 0.5644 -0.0107 -0.0229 0.0264 269 PHE D C +15465 C C B PHE D 259 ? 0.6673 0.5359 0.5646 -0.0107 -0.0229 0.0264 269 PHE D C +15466 O O A PHE D 259 ? 0.6923 0.5628 0.5918 -0.0134 -0.0219 0.0261 269 PHE D O +15467 O O B PHE D 259 ? 0.6936 0.5639 0.5930 -0.0134 -0.0218 0.0261 269 PHE D O +15468 C CB A PHE D 259 ? 0.6472 0.5099 0.5376 -0.0102 -0.0225 0.0287 269 PHE D CB +15469 C CB B PHE D 259 ? 0.6458 0.5085 0.5362 -0.0102 -0.0225 0.0287 269 PHE D CB +15470 C CG A PHE D 259 ? 0.7455 0.6121 0.6390 -0.0133 -0.0212 0.0288 269 PHE D CG +15471 C CG B PHE D 259 ? 0.7472 0.6137 0.6406 -0.0133 -0.0212 0.0288 269 PHE D CG +15472 C CD1 A PHE D 259 ? 0.7241 0.5877 0.6161 -0.0161 -0.0194 0.0296 269 PHE D CD1 +15473 C CD1 B PHE D 259 ? 0.7245 0.5881 0.6165 -0.0161 -0.0194 0.0296 269 PHE D CD1 +15474 C CD2 A PHE D 259 ? 0.6451 0.5182 0.5430 -0.0135 -0.0217 0.0280 269 PHE D CD2 +15475 C CD2 B PHE D 259 ? 0.6436 0.5166 0.5414 -0.0134 -0.0217 0.0280 269 PHE D CD2 +15476 C CE1 A PHE D 259 ? 0.6816 0.5490 0.5766 -0.0188 -0.0183 0.0296 269 PHE D CE1 +15477 C CE1 B PHE D 259 ? 0.6802 0.5476 0.5752 -0.0187 -0.0183 0.0296 269 PHE D CE1 +15478 C CE2 A PHE D 259 ? 0.7108 0.5872 0.6113 -0.0161 -0.0206 0.0281 269 PHE D CE2 +15479 C CE2 B PHE D 259 ? 0.7121 0.5884 0.6125 -0.0160 -0.0206 0.0281 269 PHE D CE2 +15480 C CZ A PHE D 259 ? 0.7140 0.5878 0.6132 -0.0187 -0.0189 0.0288 269 PHE D CZ +15481 C CZ B PHE D 259 ? 0.7144 0.5880 0.6135 -0.0186 -0.0189 0.0288 269 PHE D CZ +15482 N N A PHE D 260 ? 0.6202 0.4928 0.5198 -0.0084 -0.0244 0.0255 270 PHE D N +15483 N N B PHE D 260 ? 0.6186 0.4910 0.5181 -0.0084 -0.0243 0.0255 270 PHE D N +15484 C CA A PHE D 260 ? 0.6330 0.5117 0.5377 -0.0090 -0.0245 0.0242 270 PHE D CA +15485 C CA B PHE D 260 ? 0.6338 0.5123 0.5384 -0.0090 -0.0245 0.0242 270 PHE D CA +15486 C C A PHE D 260 ? 0.6389 0.5167 0.5445 -0.0099 -0.0239 0.0234 270 PHE D C +15487 C C B PHE D 260 ? 0.6388 0.5165 0.5444 -0.0098 -0.0239 0.0234 270 PHE D C +15488 O O A PHE D 260 ? 0.6405 0.5219 0.5494 -0.0118 -0.0233 0.0227 270 PHE D O +15489 O O B PHE D 260 ? 0.6411 0.5220 0.5497 -0.0119 -0.0233 0.0228 270 PHE D O +15490 C CB A PHE D 260 ? 0.6707 0.5531 0.5773 -0.0062 -0.0261 0.0233 270 PHE D CB +15491 C CB B PHE D 260 ? 0.6725 0.5547 0.5791 -0.0062 -0.0261 0.0233 270 PHE D CB +15492 C CG A PHE D 260 ? 0.6679 0.5568 0.5796 -0.0070 -0.0262 0.0222 270 PHE D CG +15493 C CG B PHE D 260 ? 0.6698 0.5586 0.5815 -0.0069 -0.0262 0.0222 270 PHE D CG +15494 C CD1 A PHE D 260 ? 0.5757 0.4680 0.4893 -0.0088 -0.0257 0.0225 270 PHE D CD1 +15495 C CD1 B PHE D 260 ? 0.5741 0.4662 0.4876 -0.0088 -0.0257 0.0224 270 PHE D CD1 +15496 C CD2 A PHE D 260 ? 0.6344 0.5258 0.5487 -0.0057 -0.0266 0.0209 270 PHE D CD2 +15497 C CD2 B PHE D 260 ? 0.6343 0.5255 0.5485 -0.0057 -0.0266 0.0209 270 PHE D CD2 +15498 C CE1 A PHE D 260 ? 0.6298 0.5276 0.5476 -0.0095 -0.0257 0.0215 270 PHE D CE1 +15499 C CE1 B PHE D 260 ? 0.6309 0.5286 0.5487 -0.0094 -0.0257 0.0215 270 PHE D CE1 +15500 C CE2 A PHE D 260 ? 0.6455 0.5425 0.5641 -0.0065 -0.0266 0.0199 270 PHE D CE2 +15501 C CE2 B PHE D 260 ? 0.6461 0.5430 0.5647 -0.0065 -0.0266 0.0199 270 PHE D CE2 +15502 C CZ A PHE D 260 ? 0.5658 0.4658 0.4861 -0.0084 -0.0261 0.0202 270 PHE D CZ +15503 C CZ B PHE D 260 ? 0.5650 0.4650 0.4853 -0.0083 -0.0261 0.0202 270 PHE D CZ +15504 N N A MET D 261 ? 0.6610 0.5339 0.5636 -0.0085 -0.0242 0.0234 271 MET D N +15505 N N B MET D 261 ? 0.6634 0.5364 0.5661 -0.0082 -0.0242 0.0233 271 MET D N +15506 C CA A MET D 261 ? 0.6915 0.5629 0.5944 -0.0092 -0.0236 0.0226 271 MET D CA +15507 C CA B MET D 261 ? 0.6925 0.5639 0.5954 -0.0090 -0.0237 0.0225 271 MET D CA +15508 C C A MET D 261 ? 0.6398 0.5094 0.5423 -0.0126 -0.0222 0.0230 271 MET D C +15509 C C B MET D 261 ? 0.6402 0.5099 0.5427 -0.0125 -0.0223 0.0230 271 MET D C +15510 O O A MET D 261 ? 0.6732 0.5442 0.5776 -0.0141 -0.0218 0.0222 271 MET D O +15511 O O B MET D 261 ? 0.6737 0.5447 0.5781 -0.0140 -0.0218 0.0222 271 MET D O +15512 C CB A MET D 261 ? 0.6547 0.5208 0.5541 -0.0068 -0.0242 0.0226 271 MET D CB +15513 C CB B MET D 261 ? 0.6564 0.5222 0.5556 -0.0066 -0.0242 0.0225 271 MET D CB +15514 C CG A MET D 261 ? 0.6770 0.5456 0.5777 -0.0032 -0.0256 0.0217 271 MET D CG +15515 C CG B MET D 261 ? 0.6805 0.5487 0.5809 -0.0031 -0.0257 0.0217 271 MET D CG +15516 S SD A MET D 261 ? 0.7427 0.6046 0.6389 -0.0001 -0.0263 0.0216 271 MET D SD +15517 S SD B MET D 261 ? 0.7432 0.6048 0.6392 0.0000 -0.0263 0.0216 271 MET D SD +15518 C CE A MET D 261 ? 0.6648 0.5253 0.5617 -0.0016 -0.0253 0.0206 271 MET D CE +15519 C CE B MET D 261 ? 0.6643 0.5250 0.5613 -0.0016 -0.0253 0.0205 271 MET D CE +15520 N N A LEU D 262 ? 0.6489 0.5156 0.5488 -0.0140 -0.0215 0.0243 272 LEU D N +15521 N N B LEU D 262 ? 0.6473 0.5141 0.5472 -0.0138 -0.0216 0.0243 272 LEU D N +15522 C CA A LEU D 262 ? 0.7280 0.5945 0.6285 -0.0174 -0.0202 0.0247 272 LEU D CA +15523 C CA B LEU D 262 ? 0.7300 0.5963 0.6303 -0.0172 -0.0203 0.0247 272 LEU D CA +15524 C C A LEU D 262 ? 0.6931 0.5662 0.5981 -0.0189 -0.0200 0.0242 272 LEU D C +15525 C C B LEU D 262 ? 0.6943 0.5672 0.5991 -0.0188 -0.0201 0.0242 272 LEU D C +15526 O O A LEU D 262 ? 0.6612 0.5362 0.5685 -0.0210 -0.0195 0.0236 272 LEU D O +15527 O O B LEU D 262 ? 0.6605 0.5351 0.5675 -0.0209 -0.0195 0.0236 272 LEU D O +15528 C CB A LEU D 262 ? 0.7633 0.6253 0.6600 -0.0184 -0.0193 0.0262 272 LEU D CB +15529 C CB B LEU D 262 ? 0.7630 0.6248 0.6595 -0.0181 -0.0194 0.0262 272 LEU D CB +15530 C CG A LEU D 262 ? 0.8502 0.7112 0.7467 -0.0219 -0.0177 0.0268 272 LEU D CG +15531 C CG B LEU D 262 ? 0.8533 0.7144 0.7498 -0.0216 -0.0178 0.0268 272 LEU D CG +15532 C CD1 A LEU D 262 ? 0.8504 0.7058 0.7422 -0.0218 -0.0170 0.0283 272 LEU D CD1 +15533 C CD1 B LEU D 262 ? 0.8535 0.7087 0.7452 -0.0218 -0.0170 0.0283 272 LEU D CD1 +15534 C CD2 A LEU D 262 ? 0.8189 0.6860 0.7194 -0.0236 -0.0173 0.0267 272 LEU D CD2 +15535 C CD2 B LEU D 262 ? 0.8213 0.6885 0.7217 -0.0232 -0.0174 0.0267 272 LEU D CD2 +15536 N N A PHE D 263 ? 0.6706 0.5471 0.5768 -0.0178 -0.0206 0.0245 273 PHE D N +15537 N N B PHE D 263 ? 0.6718 0.5483 0.5780 -0.0176 -0.0206 0.0245 273 PHE D N +15538 C CA A PHE D 263 ? 0.6423 0.5243 0.5521 -0.0192 -0.0203 0.0243 273 PHE D CA +15539 C CA B PHE D 263 ? 0.6417 0.5235 0.5513 -0.0192 -0.0203 0.0243 273 PHE D CA +15540 C C A PHE D 263 ? 0.6844 0.5707 0.5979 -0.0196 -0.0206 0.0230 273 PHE D C +15541 C C B PHE D 263 ? 0.6863 0.5724 0.5997 -0.0196 -0.0206 0.0230 273 PHE D C +15542 O O A PHE D 263 ? 0.6867 0.5755 0.6024 -0.0217 -0.0200 0.0228 273 PHE D O +15543 O O B PHE D 263 ? 0.6895 0.5783 0.6052 -0.0217 -0.0200 0.0228 273 PHE D O +15544 C CB A PHE D 263 ? 0.5701 0.4544 0.4800 -0.0176 -0.0210 0.0247 273 PHE D CB +15545 C CB B PHE D 263 ? 0.5678 0.4520 0.4777 -0.0177 -0.0210 0.0247 273 PHE D CB +15546 C CG A PHE D 263 ? 0.6216 0.5112 0.5348 -0.0189 -0.0208 0.0245 273 PHE D CG +15547 C CG B PHE D 263 ? 0.6214 0.5109 0.5346 -0.0189 -0.0208 0.0245 273 PHE D CG +15548 C CD1 A PHE D 263 ? 0.6781 0.5678 0.5910 -0.0208 -0.0198 0.0253 273 PHE D CD1 +15549 C CD1 B PHE D 263 ? 0.6790 0.5689 0.5922 -0.0209 -0.0197 0.0253 273 PHE D CD1 +15550 C CD2 A PHE D 263 ? 0.6302 0.5245 0.5468 -0.0181 -0.0215 0.0234 273 PHE D CD2 +15551 C CD2 B PHE D 263 ? 0.6307 0.5249 0.5472 -0.0181 -0.0215 0.0235 273 PHE D CD2 +15552 C CE1 A PHE D 263 ? 0.6705 0.5649 0.5864 -0.0218 -0.0196 0.0251 273 PHE D CE1 +15553 C CE1 B PHE D 263 ? 0.6688 0.5633 0.5848 -0.0219 -0.0195 0.0250 273 PHE D CE1 +15554 C CE2 A PHE D 263 ? 0.6276 0.5263 0.5470 -0.0192 -0.0213 0.0233 273 PHE D CE2 +15555 C CE2 B PHE D 263 ? 0.6275 0.5262 0.5469 -0.0192 -0.0213 0.0233 273 PHE D CE2 +15556 C CZ A PHE D 263 ? 0.7038 0.6025 0.6227 -0.0210 -0.0204 0.0241 273 PHE D CZ +15557 C CZ B PHE D 263 ? 0.7041 0.6028 0.6231 -0.0210 -0.0204 0.0240 273 PHE D CZ +15558 N N A VAL D 264 ? 0.6918 0.5787 0.6060 -0.0175 -0.0214 0.0221 274 VAL D N +15559 N N B VAL D 264 ? 0.6943 0.5811 0.6084 -0.0175 -0.0215 0.0221 274 VAL D N +15560 C CA A VAL D 264 ? 0.6206 0.5120 0.5383 -0.0176 -0.0217 0.0209 274 VAL D CA +15561 C CA B VAL D 264 ? 0.6207 0.5121 0.5384 -0.0175 -0.0217 0.0209 274 VAL D CA +15562 C C A VAL D 264 ? 0.6770 0.5678 0.5953 -0.0196 -0.0210 0.0203 274 VAL D C +15563 C C B VAL D 264 ? 0.6792 0.5699 0.5974 -0.0195 -0.0210 0.0204 274 VAL D C +15564 O O A VAL D 264 ? 0.6289 0.5232 0.5497 -0.0212 -0.0207 0.0200 274 VAL D O +15565 O O B VAL D 264 ? 0.6287 0.5227 0.5493 -0.0213 -0.0206 0.0201 274 VAL D O +15566 C CB A VAL D 264 ? 0.6193 0.5117 0.5376 -0.0148 -0.0226 0.0201 274 VAL D CB +15567 C CB B VAL D 264 ? 0.6195 0.5118 0.5378 -0.0148 -0.0226 0.0201 274 VAL D CB +15568 C CG1 A VAL D 264 ? 0.5887 0.4845 0.5100 -0.0150 -0.0225 0.0188 274 VAL D CG1 +15569 C CG1 B VAL D 264 ? 0.5874 0.4829 0.5086 -0.0150 -0.0225 0.0188 274 VAL D CG1 +15570 C CG2 A VAL D 264 ? 0.5665 0.4614 0.4855 -0.0131 -0.0234 0.0203 274 VAL D CG2 +15571 C CG2 B VAL D 264 ? 0.5659 0.4610 0.4851 -0.0131 -0.0234 0.0203 274 VAL D CG2 +15572 N N A PRO D 265 ? 0.6081 0.4946 0.5242 -0.0195 -0.0209 0.0201 275 PRO D N +15573 N N B PRO D 265 ? 0.6085 0.4949 0.5245 -0.0194 -0.0209 0.0201 275 PRO D N +15574 C CA A PRO D 265 ? 0.6381 0.5244 0.5549 -0.0215 -0.0204 0.0194 275 PRO D CA +15575 C CA B PRO D 265 ? 0.6403 0.5263 0.5569 -0.0214 -0.0204 0.0195 275 PRO D CA +15576 C C A PRO D 265 ? 0.6447 0.5308 0.5616 -0.0243 -0.0196 0.0201 275 PRO D C +15577 C C B PRO D 265 ? 0.6461 0.5320 0.5629 -0.0242 -0.0196 0.0201 275 PRO D C +15578 O O A PRO D 265 ? 0.6792 0.5676 0.5981 -0.0261 -0.0194 0.0195 275 PRO D O +15579 O O B PRO D 265 ? 0.6821 0.5703 0.6009 -0.0260 -0.0194 0.0195 275 PRO D O +15580 C CB A PRO D 265 ? 0.5573 0.4384 0.4711 -0.0206 -0.0204 0.0191 275 PRO D CB +15581 C CB B PRO D 265 ? 0.5562 0.4370 0.4699 -0.0204 -0.0205 0.0192 275 PRO D CB +15582 C CG A PRO D 265 ? 0.6470 0.5244 0.5578 -0.0191 -0.0206 0.0202 275 PRO D CG +15583 C CG B PRO D 265 ? 0.6435 0.5208 0.5542 -0.0187 -0.0207 0.0202 275 PRO D CG +15584 C CD A PRO D 265 ? 0.6018 0.4833 0.5145 -0.0176 -0.0212 0.0204 275 PRO D CD +15585 C CD B PRO D 265 ? 0.5992 0.4809 0.5120 -0.0173 -0.0213 0.0203 275 PRO D CD +15586 N N A VAL D 266 ? 0.6418 0.5254 0.5568 -0.0248 -0.0192 0.0212 276 VAL D N +15587 N N B VAL D 266 ? 0.6413 0.5247 0.5561 -0.0247 -0.0192 0.0212 276 VAL D N +15588 C CA A VAL D 266 ? 0.6625 0.5463 0.5778 -0.0275 -0.0183 0.0218 276 VAL D CA +15589 C CA B VAL D 266 ? 0.6638 0.5474 0.5790 -0.0275 -0.0183 0.0218 276 VAL D CA +15590 C C A VAL D 266 ? 0.6536 0.5432 0.5724 -0.0283 -0.0183 0.0217 276 VAL D C +15591 C C B VAL D 266 ? 0.6544 0.5438 0.5731 -0.0282 -0.0183 0.0217 276 VAL D C +15592 O O A VAL D 266 ? 0.6790 0.5706 0.5997 -0.0304 -0.0179 0.0213 276 VAL D O +15593 O O B VAL D 266 ? 0.6818 0.5732 0.6024 -0.0303 -0.0179 0.0213 276 VAL D O +15594 C CB A VAL D 266 ? 0.6892 0.5690 0.6014 -0.0277 -0.0176 0.0231 276 VAL D CB +15595 C CB B VAL D 266 ? 0.6903 0.5700 0.6024 -0.0277 -0.0176 0.0231 276 VAL D CB +15596 C CG1 A VAL D 266 ? 0.5880 0.4692 0.5013 -0.0303 -0.0166 0.0237 276 VAL D CG1 +15597 C CG1 B VAL D 266 ? 0.5868 0.4681 0.5001 -0.0303 -0.0166 0.0237 276 VAL D CG1 +15598 C CG2 A VAL D 266 ? 0.6331 0.5065 0.5417 -0.0277 -0.0174 0.0232 276 VAL D CG2 +15599 C CG2 B VAL D 266 ? 0.6319 0.5051 0.5403 -0.0276 -0.0174 0.0232 276 VAL D CG2 +15600 N N A THR D 267 ? 0.6481 0.5402 0.5677 -0.0266 -0.0187 0.0219 277 THR D N +15601 N N B THR D 267 ? 0.6488 0.5408 0.5684 -0.0266 -0.0187 0.0219 277 THR D N +15602 C CA A THR D 267 ? 0.6684 0.5656 0.5909 -0.0272 -0.0187 0.0218 277 THR D CA +15603 C CA B THR D 267 ? 0.6696 0.5667 0.5921 -0.0271 -0.0187 0.0218 277 THR D CA +15604 C C A THR D 267 ? 0.6380 0.5383 0.5631 -0.0275 -0.0191 0.0206 277 THR D C +15605 C C B THR D 267 ? 0.6393 0.5394 0.5643 -0.0275 -0.0191 0.0206 277 THR D C +15606 O O A THR D 267 ? 0.6321 0.5353 0.5592 -0.0290 -0.0189 0.0204 277 THR D O +15607 O O B THR D 267 ? 0.6357 0.5386 0.5627 -0.0290 -0.0188 0.0204 277 THR D O +15608 C CB A THR D 267 ? 0.6000 0.4989 0.5226 -0.0252 -0.0193 0.0221 277 THR D CB +15609 C CB B THR D 267 ? 0.5991 0.4979 0.5217 -0.0252 -0.0193 0.0221 277 THR D CB +15610 O OG1 A THR D 267 ? 0.6229 0.5189 0.5429 -0.0250 -0.0189 0.0233 277 THR D OG1 +15611 O OG1 B THR D 267 ? 0.6219 0.5179 0.5419 -0.0250 -0.0189 0.0232 277 THR D OG1 +15612 C CG2 A THR D 267 ? 0.6586 0.5625 0.5841 -0.0257 -0.0193 0.0220 277 THR D CG2 +15613 C CG2 B THR D 267 ? 0.6620 0.5658 0.5874 -0.0258 -0.0193 0.0219 277 THR D CG2 +15614 N N A GLY D 268 ? 0.5950 0.4944 0.5197 -0.0261 -0.0196 0.0199 278 GLY D N +15615 N N B GLY D 268 ? 0.5940 0.4935 0.5188 -0.0260 -0.0196 0.0198 278 GLY D N +15616 C CA A GLY D 268 ? 0.5638 0.4656 0.4904 -0.0263 -0.0198 0.0188 278 GLY D CA +15617 C CA B GLY D 268 ? 0.5635 0.4654 0.4901 -0.0263 -0.0198 0.0188 278 GLY D CA +15618 C C A GLY D 268 ? 0.6269 0.5282 0.5538 -0.0285 -0.0195 0.0184 278 GLY D C +15619 C C B GLY D 268 ? 0.6280 0.5292 0.5548 -0.0285 -0.0195 0.0184 278 GLY D C +15620 O O A GLY D 268 ? 0.6347 0.5390 0.5634 -0.0294 -0.0196 0.0179 278 GLY D O +15621 O O B GLY D 268 ? 0.6360 0.5403 0.5647 -0.0295 -0.0196 0.0179 278 GLY D O +15622 N N . LEU D 269 ? 0.6473 0.5444 0.5721 -0.0293 -0.0193 0.0186 279 LEU D N +15623 C CA . LEU D 269 ? 0.6103 0.5069 0.5354 -0.0316 -0.0191 0.0181 279 LEU D CA +15624 C C . LEU D 269 ? 0.5644 0.4639 0.4914 -0.0334 -0.0187 0.0185 279 LEU D C +15625 O O . LEU D 269 ? 0.5949 0.4967 0.5236 -0.0348 -0.0189 0.0179 279 LEU D O +15626 C CB . LEU D 269 ? 0.6265 0.5178 0.5488 -0.0323 -0.0188 0.0182 279 LEU D CB +15627 C CG . LEU D 269 ? 0.6773 0.5662 0.5985 -0.0319 -0.0192 0.0171 279 LEU D CG +15628 C CD1 . LEU D 269 ? 0.5841 0.4733 0.5049 -0.0291 -0.0196 0.0168 279 LEU D CD1 +15629 C CD2 . LEU D 269 ? 0.6292 0.5127 0.5476 -0.0330 -0.0189 0.0172 279 LEU D CD2 +15630 N N . TRP D 270 ? 0.5575 0.4571 0.4842 -0.0333 -0.0182 0.0196 280 TRP D N +15631 C CA . TRP D 270 ? 0.6111 0.5137 0.5396 -0.0348 -0.0177 0.0200 280 TRP D CA +15632 C C . TRP D 270 ? 0.6418 0.5492 0.5730 -0.0344 -0.0182 0.0196 280 TRP D C +15633 O O . TRP D 270 ? 0.6135 0.5236 0.5466 -0.0358 -0.0181 0.0193 280 TRP D O +15634 C CB . TRP D 270 ? 0.5820 0.4835 0.5093 -0.0345 -0.0170 0.0213 280 TRP D CB +15635 C CG . TRP D 270 ? 0.6776 0.5757 0.6033 -0.0363 -0.0161 0.0219 280 TRP D CG +15636 C CD1 . TRP D 270 ? 0.6213 0.5142 0.5438 -0.0360 -0.0158 0.0223 280 TRP D CD1 +15637 C CD2 . TRP D 270 ? 0.6841 0.5837 0.6113 -0.0387 -0.0153 0.0220 280 TRP D CD2 +15638 N NE1 . TRP D 270 ? 0.6312 0.5221 0.5530 -0.0383 -0.0148 0.0228 280 TRP D NE1 +15639 C CE2 . TRP D 270 ? 0.7206 0.6157 0.6454 -0.0400 -0.0144 0.0226 280 TRP D CE2 +15640 C CE3 . TRP D 270 ? 0.6024 0.5067 0.5328 -0.0398 -0.0152 0.0217 280 TRP D CE3 +15641 C CZ2 . TRP D 270 ? 0.6180 0.5134 0.5438 -0.0426 -0.0133 0.0228 280 TRP D CZ2 +15642 C CZ3 . TRP D 270 ? 0.6515 0.5564 0.5830 -0.0422 -0.0142 0.0219 280 TRP D CZ3 +15643 C CH2 . TRP D 270 ? 0.6439 0.5445 0.5733 -0.0436 -0.0132 0.0224 280 TRP D CH2 +15644 N N . MET D 271 ? 0.5969 0.5053 0.5281 -0.0324 -0.0187 0.0194 281 MET D N +15645 C CA . MET D 271 ? 0.5916 0.5041 0.5249 -0.0320 -0.0190 0.0190 281 MET D CA +15646 C C . MET D 271 ? 0.6482 0.5616 0.5823 -0.0328 -0.0194 0.0180 281 MET D C +15647 O O . MET D 271 ? 0.6414 0.5577 0.5772 -0.0335 -0.0196 0.0177 281 MET D O +15648 C CB . MET D 271 ? 0.6078 0.5211 0.5410 -0.0300 -0.0194 0.0189 281 MET D CB +15649 C CG . MET D 271 ? 0.6111 0.5245 0.5437 -0.0291 -0.0192 0.0199 281 MET D CG +15650 S SD . MET D 271 ? 0.7099 0.6260 0.6438 -0.0303 -0.0187 0.0206 281 MET D SD +15651 C CE . MET D 271 ? 0.6482 0.5612 0.5804 -0.0316 -0.0178 0.0214 281 MET D CE +15652 N N . SER D 272 ? 0.5768 0.4875 0.5096 -0.0326 -0.0197 0.0173 282 SER D N +15653 C CA . SER D 272 ? 0.6222 0.5334 0.5554 -0.0332 -0.0201 0.0163 282 SER D CA +15654 C C . SER D 272 ? 0.5665 0.4786 0.5008 -0.0353 -0.0202 0.0162 282 SER D C +15655 O O . SER D 272 ? 0.5959 0.5101 0.5313 -0.0359 -0.0206 0.0155 282 SER D O +15656 C CB . SER D 272 ? 0.5837 0.4915 0.5150 -0.0325 -0.0202 0.0157 282 SER D CB +15657 O OG . SER D 272 ? 0.6720 0.5761 0.6016 -0.0335 -0.0200 0.0159 282 SER D OG +15658 N N . ALA D 273 ? 0.5992 0.5094 0.5329 -0.0365 -0.0196 0.0168 283 ALA D N +15659 C CA . ALA D 273 ? 0.7030 0.6143 0.6381 -0.0387 -0.0196 0.0166 283 ALA D CA +15660 C C . ALA D 273 ? 0.6096 0.5253 0.5471 -0.0389 -0.0196 0.0167 283 ALA D C +15661 O O . ALA D 273 ? 0.6309 0.5488 0.5700 -0.0401 -0.0201 0.0161 283 ALA D O +15662 C CB . ALA D 273 ? 0.6219 0.5302 0.5559 -0.0399 -0.0187 0.0173 283 ALA D CB +15663 N N . ILE D 274 ? 0.6023 0.5194 0.5400 -0.0378 -0.0192 0.0175 284 ILE D N +15664 C CA . ILE D 274 ? 0.6174 0.5385 0.5573 -0.0378 -0.0192 0.0177 284 ILE D CA +15665 C C . ILE D 274 ? 0.7298 0.6530 0.6704 -0.0372 -0.0201 0.0169 284 ILE D C +15666 O O . ILE D 274 ? 0.6079 0.5340 0.5502 -0.0378 -0.0205 0.0165 284 ILE D O +15667 C CB . ILE D 274 ? 0.6627 0.5843 0.6021 -0.0365 -0.0187 0.0187 284 ILE D CB +15668 C CG1 . ILE D 274 ? 0.6664 0.5860 0.6049 -0.0372 -0.0178 0.0195 284 ILE D CG1 +15669 C CG2 . ILE D 274 ? 0.5831 0.5086 0.5243 -0.0360 -0.0189 0.0187 284 ILE D CG2 +15670 C CD1 . ILE D 274 ? 0.8182 0.7378 0.7558 -0.0358 -0.0174 0.0204 284 ILE D CD1 +15671 N N . GLY D 275 ? 0.5646 0.4866 0.5039 -0.0359 -0.0204 0.0165 285 GLY D N +15672 C CA . GLY D 275 ? 0.5678 0.4914 0.5074 -0.0353 -0.0211 0.0158 285 GLY D CA +15673 C C . GLY D 275 ? 0.5953 0.5188 0.5351 -0.0366 -0.0218 0.0149 285 GLY D C +15674 O O . GLY D 275 ? 0.6052 0.5311 0.5459 -0.0366 -0.0224 0.0144 285 GLY D O +15675 N N . VAL D 276 ? 0.5537 0.4746 0.4927 -0.0376 -0.0218 0.0146 286 VAL D N +15676 C CA . VAL D 276 ? 0.6172 0.5379 0.5564 -0.0389 -0.0225 0.0136 286 VAL D CA +15677 C C . VAL D 276 ? 0.5717 0.4955 0.5134 -0.0403 -0.0227 0.0136 286 VAL D C +15678 O O . VAL D 276 ? 0.5939 0.5195 0.5365 -0.0409 -0.0236 0.0128 286 VAL D O +15679 C CB . VAL D 276 ? 0.7470 0.6637 0.6845 -0.0397 -0.0224 0.0133 286 VAL D CB +15680 C CG1 . VAL D 276 ? 0.6440 0.5606 0.5821 -0.0416 -0.0232 0.0123 286 VAL D CG1 +15681 C CG2 . VAL D 276 ? 0.5622 0.4764 0.4974 -0.0381 -0.0225 0.0129 286 VAL D CG2 +15682 N N . VAL D 277 ? 0.5718 0.4964 0.5145 -0.0408 -0.0218 0.0145 287 VAL D N +15683 C CA . VAL D 277 ? 0.6470 0.5751 0.5923 -0.0419 -0.0218 0.0146 287 VAL D CA +15684 C C . VAL D 277 ? 0.7207 0.6521 0.6671 -0.0408 -0.0225 0.0143 287 VAL D C +15685 O O . VAL D 277 ? 0.6339 0.5680 0.5821 -0.0414 -0.0233 0.0136 287 VAL D O +15686 C CB . VAL D 277 ? 0.6362 0.5644 0.5820 -0.0423 -0.0205 0.0157 287 VAL D CB +15687 C CG1 . VAL D 277 ? 0.5893 0.5215 0.5380 -0.0431 -0.0203 0.0157 287 VAL D CG1 +15688 C CG2 . VAL D 277 ? 0.6041 0.5286 0.5486 -0.0437 -0.0198 0.0159 287 VAL D CG2 +15689 N N . GLY D 278 ? 0.6342 0.5654 0.5794 -0.0390 -0.0224 0.0147 288 GLY D N +15690 C CA . GLY D 278 ? 0.5974 0.5310 0.5430 -0.0378 -0.0231 0.0145 288 GLY D CA +15691 C C . GLY D 278 ? 0.6132 0.5467 0.5581 -0.0378 -0.0243 0.0134 288 GLY D C +15692 O O . GLY D 278 ? 0.5982 0.5342 0.5441 -0.0377 -0.0251 0.0130 288 GLY D O +15693 N N . LEU D 279 ? 0.5628 0.4933 0.5059 -0.0379 -0.0244 0.0130 289 LEU D N +15694 C CA . LEU D 279 ? 0.5878 0.5177 0.5297 -0.0379 -0.0255 0.0119 289 LEU D CA +15695 C C . LEU D 279 ? 0.6486 0.5800 0.5921 -0.0394 -0.0265 0.0111 289 LEU D C +15696 O O . LEU D 279 ? 0.6143 0.5463 0.5573 -0.0393 -0.0276 0.0102 289 LEU D O +15697 C CB . LEU D 279 ? 0.5819 0.5081 0.5213 -0.0376 -0.0253 0.0115 289 LEU D CB +15698 C CG . LEU D 279 ? 0.6711 0.5964 0.6093 -0.0359 -0.0245 0.0121 289 LEU D CG +15699 C CD1 . LEU D 279 ? 0.5990 0.5211 0.5349 -0.0354 -0.0244 0.0116 289 LEU D CD1 +15700 C CD2 . LEU D 279 ? 0.5220 0.4494 0.4602 -0.0348 -0.0247 0.0123 289 LEU D CD2 +15701 N N . ALA D 280 ? 0.5610 0.4928 0.5063 -0.0410 -0.0260 0.0113 290 ALA D N +15702 C CA . ALA D 280 ? 0.6959 0.6298 0.6432 -0.0426 -0.0268 0.0105 290 ALA D CA +15703 C C . ALA D 280 ? 0.6882 0.6261 0.6372 -0.0419 -0.0278 0.0101 290 ALA D C +15704 O O . ALA D 280 ? 0.5977 0.5371 0.5476 -0.0426 -0.0291 0.0091 290 ALA D O +15705 C CB . ALA D 280 ? 0.5316 0.4661 0.4810 -0.0443 -0.0257 0.0110 290 ALA D CB +15706 N N . LEU D 281 ? 0.5881 0.5275 0.5373 -0.0404 -0.0272 0.0110 291 LEU D N +15707 C CA . LEU D 281 ? 0.6051 0.5480 0.5556 -0.0394 -0.0280 0.0108 291 LEU D CA +15708 C C . LEU D 281 ? 0.6228 0.5646 0.5708 -0.0376 -0.0286 0.0108 291 LEU D C +15709 O O . LEU D 281 ? 0.6051 0.5491 0.5534 -0.0364 -0.0292 0.0108 291 LEU D O +15710 C CB . LEU D 281 ? 0.6184 0.5636 0.5708 -0.0391 -0.0269 0.0118 291 LEU D CB +15711 C CG . LEU D 281 ? 0.6870 0.6325 0.6413 -0.0410 -0.0258 0.0121 291 LEU D CG +15712 C CD1 . LEU D 281 ? 0.6970 0.6441 0.6525 -0.0404 -0.0245 0.0132 291 LEU D CD1 +15713 C CD2 . LEU D 281 ? 0.6382 0.5862 0.5952 -0.0427 -0.0267 0.0111 291 LEU D CD2 +15714 N N . ASN D 282 ? 0.6428 0.5812 0.5881 -0.0372 -0.0285 0.0106 292 ASN D N +15715 C CA . ASN D 282 ? 0.6049 0.5418 0.5475 -0.0356 -0.0286 0.0107 292 ASN D CA +15716 C C . ASN D 282 ? 0.6595 0.5968 0.6020 -0.0345 -0.0275 0.0118 292 ASN D C +15717 O O . ASN D 282 ? 0.6417 0.5785 0.5824 -0.0331 -0.0276 0.0119 292 ASN D O +15718 C CB . ASN D 282 ? 0.5968 0.5348 0.5386 -0.0349 -0.0301 0.0100 292 ASN D CB +15719 C CG . ASN D 282 ? 0.6662 0.6030 0.6071 -0.0357 -0.0314 0.0088 292 ASN D CG +15720 O OD1 . ASN D 282 ? 0.6941 0.6284 0.6341 -0.0365 -0.0310 0.0085 292 ASN D OD1 +15721 N ND2 . ASN D 282 ? 0.6538 0.5923 0.5947 -0.0353 -0.0330 0.0080 292 ASN D ND2 +15722 N N . LEU D 283 ? 0.5836 0.5216 0.5277 -0.0350 -0.0265 0.0125 293 LEU D N +15723 C CA . LEU D 283 ? 0.6647 0.6030 0.6087 -0.0339 -0.0255 0.0135 293 LEU D CA +15724 C C . LEU D 283 ? 0.5911 0.5264 0.5330 -0.0335 -0.0248 0.0137 293 LEU D C +15725 O O . LEU D 283 ? 0.5537 0.4879 0.4959 -0.0338 -0.0240 0.0142 293 LEU D O +15726 C CB . LEU D 283 ? 0.5516 0.4915 0.4977 -0.0346 -0.0248 0.0141 293 LEU D CB +15727 C CG . LEU D 283 ? 0.7694 0.7113 0.7163 -0.0337 -0.0243 0.0148 293 LEU D CG +15728 C CD1 . LEU D 283 ? 0.6429 0.5865 0.5897 -0.0326 -0.0252 0.0145 293 LEU D CD1 +15729 C CD2 . LEU D 283 ? 0.7691 0.7127 0.7183 -0.0347 -0.0237 0.0152 293 LEU D CD2 +15730 N N . ARG D 284 ? 0.4877 0.4219 0.4277 -0.0326 -0.0251 0.0134 294 ARG D N +15731 C CA . ARG D 284 ? 0.5796 0.5113 0.5178 -0.0321 -0.0244 0.0133 294 ARG D CA +15732 C C . ARG D 284 ? 0.6346 0.5665 0.5725 -0.0312 -0.0236 0.0140 294 ARG D C +15733 O O . ARG D 284 ? 0.5762 0.5096 0.5146 -0.0307 -0.0236 0.0144 294 ARG D O +15734 C CB . ARG D 284 ? 0.6123 0.5426 0.5483 -0.0317 -0.0250 0.0125 294 ARG D CB +15735 C CG . ARG D 284 ? 0.6153 0.5456 0.5513 -0.0326 -0.0262 0.0117 294 ARG D CG +15736 C CD . ARG D 284 ? 0.5746 0.5042 0.5085 -0.0319 -0.0270 0.0111 294 ARG D CD +15737 N NE . ARG D 284 ? 0.6163 0.5457 0.5502 -0.0328 -0.0282 0.0101 294 ARG D NE +15738 C CZ . ARG D 284 ? 0.6610 0.5904 0.5935 -0.0325 -0.0295 0.0094 294 ARG D CZ +15739 N NH1 . ARG D 284 ? 0.5680 0.4975 0.4988 -0.0313 -0.0297 0.0096 294 ARG D NH1 +15740 N NH2 . ARG D 284 ? 0.6086 0.5377 0.5412 -0.0335 -0.0306 0.0084 294 ARG D NH2 +15741 N N A SER D 285 ? 0.5704 0.5006 0.5075 -0.0309 -0.0228 0.0140 295 SER D N +15742 N N B SER D 285 ? 0.5720 0.5023 0.5091 -0.0308 -0.0228 0.0140 295 SER D N +15743 C CA A SER D 285 ? 0.6385 0.5686 0.5750 -0.0300 -0.0221 0.0143 295 SER D CA +15744 C CA B SER D 285 ? 0.6320 0.5623 0.5685 -0.0300 -0.0221 0.0143 295 SER D CA +15745 C C A SER D 285 ? 0.6711 0.5997 0.6055 -0.0297 -0.0220 0.0136 295 SER D C +15746 C C B SER D 285 ? 0.6630 0.5918 0.5975 -0.0296 -0.0220 0.0138 295 SER D C +15747 O O A SER D 285 ? 0.6684 0.5955 0.6020 -0.0295 -0.0216 0.0133 295 SER D O +15748 O O B SER D 285 ? 0.6634 0.5909 0.5972 -0.0293 -0.0213 0.0135 295 SER D O +15749 C CB A SER D 285 ? 0.6203 0.5499 0.5574 -0.0298 -0.0213 0.0146 295 SER D CB +15750 C CB B SER D 285 ? 0.5712 0.5013 0.5085 -0.0298 -0.0214 0.0148 295 SER D CB +15751 O OG A SER D 285 ? 0.8240 0.7548 0.7625 -0.0300 -0.0213 0.0153 295 SER D OG +15752 O OG B SER D 285 ? 0.6464 0.5748 0.5832 -0.0297 -0.0211 0.0144 295 SER D OG +15753 N N . TYR D 286 ? 0.6115 0.5404 0.5448 -0.0294 -0.0226 0.0135 296 TYR D N +15754 C CA . TYR D 286 ? 0.5536 0.4808 0.4845 -0.0291 -0.0226 0.0129 296 TYR D CA +15755 C C . TYR D 286 ? 0.6563 0.5830 0.5860 -0.0285 -0.0216 0.0131 296 TYR D C +15756 O O . TYR D 286 ? 0.6329 0.5581 0.5611 -0.0283 -0.0209 0.0127 296 TYR D O +15757 C CB . TYR D 286 ? 0.6274 0.5547 0.5572 -0.0291 -0.0239 0.0125 296 TYR D CB +15758 C CG . TYR D 286 ? 0.6422 0.5673 0.5692 -0.0288 -0.0239 0.0118 296 TYR D CG +15759 C CD1 . TYR D 286 ? 0.6055 0.5292 0.5319 -0.0293 -0.0243 0.0111 296 TYR D CD1 +15760 C CD2 . TYR D 286 ? 0.5654 0.4895 0.4900 -0.0281 -0.0235 0.0119 296 TYR D CD2 +15761 C CE1 . TYR D 286 ? 0.6122 0.5338 0.5358 -0.0289 -0.0243 0.0104 296 TYR D CE1 +15762 C CE2 . TYR D 286 ? 0.6113 0.5331 0.5330 -0.0278 -0.0234 0.0113 296 TYR D CE2 +15763 C CZ . TYR D 286 ? 0.6428 0.5634 0.5640 -0.0282 -0.0238 0.0105 296 TYR D CZ +15764 O OH . TYR D 286 ? 0.6801 0.5984 0.5982 -0.0278 -0.0237 0.0099 296 TYR D OH +15765 N N . ASP D 287 ? 0.5329 0.4607 0.4631 -0.0282 -0.0215 0.0137 297 ASP D N +15766 C CA . ASP D 287 ? 0.5857 0.5127 0.5143 -0.0278 -0.0207 0.0139 297 ASP D CA +15767 C C . ASP D 287 ? 0.5275 0.4557 0.4577 -0.0278 -0.0200 0.0144 297 ASP D C +15768 O O . ASP D 287 ? 0.5806 0.5102 0.5128 -0.0280 -0.0203 0.0148 297 ASP D O +15769 C CB . ASP D 287 ? 0.5620 0.4885 0.4886 -0.0273 -0.0214 0.0140 297 ASP D CB +15770 C CG . ASP D 287 ? 0.6562 0.5846 0.5843 -0.0273 -0.0225 0.0142 297 ASP D CG +15771 O OD1 . ASP D 287 ? 0.6264 0.5564 0.5570 -0.0276 -0.0225 0.0145 297 ASP D OD1 +15772 O OD2 . ASP D 287 ? 0.7223 0.6505 0.6490 -0.0267 -0.0234 0.0141 297 ASP D OD2 +15773 N N . PHE D 288 ? 0.6987 0.6261 0.6279 -0.0277 -0.0189 0.0145 298 PHE D N +15774 C CA . PHE D 288 ? 0.6306 0.5587 0.5605 -0.0277 -0.0184 0.0149 298 PHE D CA +15775 C C . PHE D 288 ? 0.6230 0.5499 0.5505 -0.0274 -0.0184 0.0151 298 PHE D C +15776 O O . PHE D 288 ? 0.5932 0.5183 0.5185 -0.0274 -0.0177 0.0149 298 PHE D O +15777 C CB . PHE D 288 ? 0.6004 0.5287 0.5312 -0.0280 -0.0173 0.0147 298 PHE D CB +15778 C CG . PHE D 288 ? 0.5935 0.5230 0.5265 -0.0280 -0.0174 0.0146 298 PHE D CG +15779 C CD1 . PHE D 288 ? 0.6204 0.5511 0.5551 -0.0280 -0.0179 0.0150 298 PHE D CD1 +15780 C CD2 . PHE D 288 ? 0.5400 0.4690 0.4731 -0.0280 -0.0169 0.0140 298 PHE D CD2 +15781 C CE1 . PHE D 288 ? 0.6262 0.5576 0.5626 -0.0279 -0.0180 0.0149 298 PHE D CE1 +15782 C CE2 . PHE D 288 ? 0.6075 0.5372 0.5423 -0.0278 -0.0171 0.0139 298 PHE D CE2 +15783 C CZ . PHE D 288 ? 0.5468 0.4776 0.4832 -0.0278 -0.0177 0.0144 298 PHE D CZ +15784 N N . ILE D 289 ? 0.5794 0.5070 0.5072 -0.0271 -0.0191 0.0156 299 ILE D N +15785 C CA . ILE D 289 ? 0.6067 0.5330 0.5321 -0.0265 -0.0193 0.0158 299 ILE D CA +15786 C C . ILE D 289 ? 0.6495 0.5740 0.5732 -0.0268 -0.0181 0.0159 299 ILE D C +15787 O O . ILE D 289 ? 0.6172 0.5395 0.5379 -0.0266 -0.0178 0.0159 299 ILE D O +15788 C CB . ILE D 289 ? 0.5979 0.5255 0.5242 -0.0260 -0.0202 0.0162 299 ILE D CB +15789 C CG1 . ILE D 289 ? 0.6256 0.5549 0.5535 -0.0259 -0.0214 0.0160 299 ILE D CG1 +15790 C CG2 . ILE D 289 ? 0.5037 0.4296 0.4274 -0.0252 -0.0203 0.0165 299 ILE D CG2 +15791 C CD1 . ILE D 289 ? 0.6439 0.5748 0.5729 -0.0254 -0.0221 0.0163 299 ILE D CD1 +15792 N N . SER D 290 ? 0.5520 0.4775 0.4776 -0.0273 -0.0173 0.0159 300 SER D N +15793 C CA . SER D 290 ? 0.5798 0.5039 0.5041 -0.0278 -0.0161 0.0159 300 SER D CA +15794 C C . SER D 290 ? 0.6126 0.5353 0.5354 -0.0282 -0.0150 0.0155 300 SER D C +15795 O O . SER D 290 ? 0.6294 0.5499 0.5497 -0.0284 -0.0141 0.0156 300 SER D O +15796 C CB . SER D 290 ? 0.5900 0.5158 0.5170 -0.0284 -0.0156 0.0159 300 SER D CB +15797 O OG . SER D 290 ? 0.6149 0.5422 0.5441 -0.0287 -0.0154 0.0155 300 SER D OG +15798 N N . GLN D 291 ? 0.5816 0.5051 0.5056 -0.0283 -0.0150 0.0151 301 GLN D N +15799 C CA . GLN D 291 ? 0.6859 0.6081 0.6083 -0.0285 -0.0140 0.0147 301 GLN D CA +15800 C C . GLN D 291 ? 0.7318 0.6514 0.6504 -0.0280 -0.0143 0.0148 301 GLN D C +15801 O O . GLN D 291 ? 0.6398 0.5574 0.5560 -0.0282 -0.0131 0.0146 301 GLN D O +15802 C CB . GLN D 291 ? 0.6145 0.5379 0.5387 -0.0285 -0.0142 0.0142 301 GLN D CB +15803 C CG . GLN D 291 ? 0.7359 0.6615 0.6634 -0.0287 -0.0139 0.0140 301 GLN D CG +15804 C CD . GLN D 291 ? 0.7453 0.6711 0.6733 -0.0291 -0.0123 0.0134 301 GLN D CD +15805 O OE1 . GLN D 291 ? 0.7475 0.6722 0.6742 -0.0290 -0.0117 0.0130 301 GLN D OE1 +15806 N NE2 . GLN D 291 ? 0.7933 0.7206 0.7233 -0.0296 -0.0117 0.0133 301 GLN D NE2 +15807 N N . GLU D 292 ? 0.5963 0.5162 0.5146 -0.0273 -0.0159 0.0149 302 GLU D N +15808 C CA . GLU D 292 ? 0.6251 0.5428 0.5400 -0.0266 -0.0165 0.0149 302 GLU D CA +15809 C C . GLU D 292 ? 0.6305 0.5458 0.5423 -0.0263 -0.0162 0.0154 302 GLU D C +15810 O O . GLU D 292 ? 0.6461 0.5587 0.5542 -0.0260 -0.0157 0.0154 302 GLU D O +15811 C CB . GLU D 292 ? 0.5410 0.4601 0.4569 -0.0260 -0.0184 0.0149 302 GLU D CB +15812 C CG . GLU D 292 ? 0.5380 0.4587 0.4563 -0.0264 -0.0189 0.0144 302 GLU D CG +15813 C CD . GLU D 292 ? 0.5706 0.4896 0.4869 -0.0265 -0.0184 0.0138 302 GLU D CD +15814 O OE1 . GLU D 292 ? 0.5985 0.5151 0.5115 -0.0263 -0.0177 0.0137 302 GLU D OE1 +15815 O OE2 . GLU D 292 ? 0.6307 0.5506 0.5486 -0.0267 -0.0187 0.0133 302 GLU D OE2 +15816 N N . ILE D 293 ? 0.6708 0.5870 0.5838 -0.0263 -0.0163 0.0158 303 ILE D N +15817 C CA . ILE D 293 ? 0.6833 0.5970 0.5934 -0.0260 -0.0158 0.0163 303 ILE D CA +15818 C C . ILE D 293 ? 0.6735 0.5850 0.5817 -0.0270 -0.0139 0.0163 303 ILE D C +15819 O O . ILE D 293 ? 0.6490 0.5572 0.5532 -0.0267 -0.0133 0.0165 303 ILE D O +15820 C CB . ILE D 293 ? 0.6889 0.6040 0.6009 -0.0259 -0.0163 0.0167 303 ILE D CB +15821 C CG1 . ILE D 293 ? 0.5797 0.4967 0.4930 -0.0249 -0.0181 0.0168 303 ILE D CG1 +15822 C CG2 . ILE D 293 ? 0.6502 0.5623 0.5591 -0.0258 -0.0156 0.0171 303 ILE D CG2 +15823 C CD1 . ILE D 293 ? 0.6176 0.5361 0.5328 -0.0246 -0.0185 0.0171 303 ILE D CD1 +15824 N N . ARG D 294 ? 0.6523 0.5656 0.5634 -0.0281 -0.0127 0.0159 304 ARG D N +15825 C CA . ARG D 294 ? 0.6245 0.5363 0.5344 -0.0291 -0.0107 0.0157 304 ARG D CA +15826 C C . ARG D 294 ? 0.6863 0.5960 0.5932 -0.0289 -0.0101 0.0155 304 ARG D C +15827 O O . ARG D 294 ? 0.6849 0.5914 0.5882 -0.0292 -0.0089 0.0157 304 ARG D O +15828 C CB . ARG D 294 ? 0.6289 0.5436 0.5430 -0.0301 -0.0099 0.0153 304 ARG D CB +15829 C CG . ARG D 294 ? 0.7256 0.6397 0.6395 -0.0313 -0.0078 0.0149 304 ARG D CG +15830 C CD . ARG D 294 ? 0.7442 0.6562 0.6563 -0.0322 -0.0065 0.0151 304 ARG D CD +15831 N NE . ARG D 294 ? 0.8203 0.7322 0.7326 -0.0335 -0.0043 0.0147 304 ARG D NE +15832 C CZ . ARG D 294 ? 0.8332 0.7481 0.7494 -0.0345 -0.0035 0.0141 304 ARG D CZ +15833 N NH1 . ARG D 294 ? 0.8245 0.7423 0.7443 -0.0343 -0.0048 0.0139 304 ARG D NH1 +15834 N NH2 . ARG D 294 ? 0.8435 0.7583 0.7598 -0.0356 -0.0014 0.0136 304 ARG D NH2 +15835 N N . ALA D 295 ? 0.6219 0.5331 0.5302 -0.0285 -0.0109 0.0151 305 ALA D N +15836 C CA . ALA D 295 ? 0.6410 0.5504 0.5467 -0.0283 -0.0103 0.0147 305 ALA D CA +15837 C C . ALA D 295 ? 0.6426 0.5485 0.5434 -0.0274 -0.0110 0.0150 305 ALA D C +15838 O O . ALA D 295 ? 0.6547 0.5578 0.5519 -0.0275 -0.0098 0.0150 305 ALA D O +15839 C CB . ALA D 295 ? 0.5659 0.4775 0.4741 -0.0281 -0.0111 0.0141 305 ALA D CB +15840 N N . ALA D 296 ? 0.6473 0.5536 0.5479 -0.0265 -0.0129 0.0154 306 ALA D N +15841 C CA . ALA D 296 ? 0.6579 0.5610 0.5538 -0.0253 -0.0138 0.0157 306 ALA D CA +15842 C C . ALA D 296 ? 0.6889 0.5883 0.5809 -0.0256 -0.0122 0.0162 306 ALA D C +15843 O O . ALA D 296 ? 0.6859 0.5817 0.5731 -0.0250 -0.0120 0.0164 306 ALA D O +15844 C CB . ALA D 296 ? 0.6000 0.5046 0.4971 -0.0243 -0.0160 0.0159 306 ALA D CB +15845 N N . GLU D 297 ? 0.6150 0.5150 0.5088 -0.0265 -0.0112 0.0165 307 GLU D N +15846 C CA . GLU D 297 ? 0.7394 0.6357 0.6295 -0.0269 -0.0098 0.0170 307 GLU D CA +15847 C C . GLU D 297 ? 0.7344 0.6295 0.6238 -0.0284 -0.0072 0.0168 307 GLU D C +15848 O O . GLU D 297 ? 0.7689 0.6601 0.6543 -0.0288 -0.0057 0.0172 307 GLU D O +15849 C CB . GLU D 297 ? 0.6469 0.5440 0.5388 -0.0272 -0.0099 0.0174 307 GLU D CB +15850 C CG . GLU D 297 ? 1.0277 0.9263 0.9208 -0.0258 -0.0122 0.0176 307 GLU D CG +15851 C CD . GLU D 297 ? 1.2624 1.1623 1.1578 -0.0262 -0.0121 0.0178 307 GLU D CD +15852 O OE1 . GLU D 297 ? 1.0198 0.9201 0.9168 -0.0277 -0.0105 0.0177 307 GLU D OE1 +15853 O OE2 . GLU D 297 ? 1.1533 1.0538 1.0490 -0.0250 -0.0137 0.0181 307 GLU D OE2 +15854 N N . ASP D 298 ? 0.6560 0.5542 0.5491 -0.0292 -0.0065 0.0162 308 ASP D N +15855 C CA . ASP D 298 ? 0.6325 0.5306 0.5262 -0.0307 -0.0039 0.0158 308 ASP D CA +15856 C C . ASP D 298 ? 0.7060 0.6048 0.5998 -0.0306 -0.0034 0.0152 308 ASP D C +15857 O O . ASP D 298 ? 0.6485 0.5510 0.5466 -0.0307 -0.0038 0.0146 308 ASP D O +15858 C CB . ASP D 298 ? 0.6551 0.5567 0.5539 -0.0319 -0.0035 0.0156 308 ASP D CB +15859 C CG . ASP D 298 ? 0.6579 0.5606 0.5584 -0.0334 -0.0011 0.0150 308 ASP D CG +15860 O OD1 . ASP D 298 ? 0.6800 0.5805 0.5777 -0.0338 0.0006 0.0149 308 ASP D OD1 +15861 O OD2 . ASP D 298 ? 0.7636 0.6696 0.6686 -0.0343 -0.0009 0.0146 308 ASP D OD2 +15862 N N . PRO D 299 ? 0.7180 0.6131 0.6069 -0.0303 -0.0025 0.0153 309 PRO D N +15863 C CA . PRO D 299 ? 0.7048 0.6002 0.5933 -0.0299 -0.0022 0.0147 309 PRO D CA +15864 C C . PRO D 299 ? 0.6657 0.5633 0.5571 -0.0311 0.0001 0.0140 309 PRO D C +15865 O O . PRO D 299 ? 0.7311 0.6287 0.6220 -0.0309 0.0007 0.0134 309 PRO D O +15866 C CB . PRO D 299 ? 0.6689 0.5593 0.5506 -0.0292 -0.0018 0.0150 309 PRO D CB +15867 C CG . PRO D 299 ? 0.7425 0.6305 0.6216 -0.0287 -0.0029 0.0158 309 PRO D CG +15868 C CD . PRO D 299 ? 0.6939 0.5841 0.5770 -0.0299 -0.0021 0.0160 309 PRO D CD +15869 N N . GLU D 300 ? 0.6932 0.5927 0.5879 -0.0324 0.0013 0.0139 310 GLU D N +15870 C CA . GLU D 300 ? 0.7554 0.6579 0.6539 -0.0334 0.0031 0.0132 310 GLU D CA +15871 C C . GLU D 300 ? 0.6580 0.5654 0.5625 -0.0332 0.0017 0.0127 310 GLU D C +15872 O O . GLU D 300 ? 0.7054 0.6156 0.6133 -0.0337 0.0028 0.0120 310 GLU D O +15873 C CB . GLU D 300 ? 0.6715 0.5733 0.5699 -0.0352 0.0057 0.0132 310 GLU D CB +15874 C CG . GLU D 300 ? 0.9555 0.8534 0.8489 -0.0356 0.0080 0.0133 310 GLU D CG +15875 C CD . GLU D 300 ? 0.8989 0.7955 0.7916 -0.0375 0.0107 0.0134 310 GLU D CD +15876 O OE1 . GLU D 300 ? 1.1181 1.0127 1.0093 -0.0380 0.0103 0.0141 310 GLU D OE1 +15877 O OE2 . GLU D 300 ? 1.1250 1.0226 1.0188 -0.0386 0.0132 0.0128 310 GLU D OE2 +15878 N N . PHE D 301 ? 0.5936 0.5017 0.4991 -0.0325 -0.0006 0.0131 311 PHE D N +15879 C CA . PHE D 301 ? 0.5904 0.5025 0.5009 -0.0323 -0.0020 0.0128 311 PHE D CA +15880 C C . PHE D 301 ? 0.6600 0.5731 0.5713 -0.0312 -0.0031 0.0124 311 PHE D C +15881 O O . PHE D 301 ? 0.6302 0.5417 0.5391 -0.0303 -0.0046 0.0126 311 PHE D O +15882 C CB . PHE D 301 ? 0.6164 0.5287 0.5275 -0.0320 -0.0038 0.0135 311 PHE D CB +15883 C CG . PHE D 301 ? 0.5866 0.5027 0.5024 -0.0318 -0.0051 0.0133 311 PHE D CG +15884 C CD1 . PHE D 301 ? 0.6545 0.5733 0.5740 -0.0326 -0.0043 0.0129 311 PHE D CD1 +15885 C CD2 . PHE D 301 ? 0.6184 0.5352 0.5347 -0.0307 -0.0071 0.0135 311 PHE D CD2 +15886 C CE1 . PHE D 301 ? 0.5864 0.5083 0.5098 -0.0323 -0.0055 0.0127 311 PHE D CE1 +15887 C CE2 . PHE D 301 ? 0.6482 0.5680 0.5685 -0.0306 -0.0082 0.0134 311 PHE D CE2 +15888 C CZ . PHE D 301 ? 0.6480 0.5702 0.5716 -0.0313 -0.0075 0.0130 311 PHE D CZ +15889 N N A GLU D 302 ? 0.6390 0.5549 0.5538 -0.0313 -0.0024 0.0117 312 GLU D N +15890 N N B GLU D 302 ? 0.6400 0.5559 0.5548 -0.0313 -0.0024 0.0117 312 GLU D N +15891 C CA A GLU D 302 ? 0.6539 0.5705 0.5694 -0.0303 -0.0034 0.0112 312 GLU D CA +15892 C CA B GLU D 302 ? 0.6546 0.5713 0.5701 -0.0303 -0.0034 0.0112 312 GLU D CA +15893 C C A GLU D 302 ? 0.6683 0.5887 0.5888 -0.0302 -0.0038 0.0108 312 GLU D C +15894 C C B GLU D 302 ? 0.6700 0.5903 0.5904 -0.0302 -0.0039 0.0108 312 GLU D C +15895 O O A GLU D 302 ? 0.6217 0.5441 0.5448 -0.0308 -0.0025 0.0104 312 GLU D O +15896 O O B GLU D 302 ? 0.6222 0.5446 0.5453 -0.0308 -0.0026 0.0104 312 GLU D O +15897 C CB A GLU D 302 ? 0.6425 0.5575 0.5556 -0.0302 -0.0017 0.0106 312 GLU D CB +15898 C CB B GLU D 302 ? 0.6425 0.5575 0.5556 -0.0301 -0.0017 0.0106 312 GLU D CB +15899 C CG A GLU D 302 ? 0.5949 0.5100 0.5081 -0.0291 -0.0028 0.0101 312 GLU D CG +15900 C CG B GLU D 302 ? 0.5936 0.5087 0.5068 -0.0291 -0.0028 0.0101 312 GLU D CG +15901 C CD A GLU D 302 ? 0.6786 0.5911 0.5880 -0.0288 -0.0014 0.0096 312 GLU D CD +15902 C CD B GLU D 302 ? 0.6795 0.5920 0.5890 -0.0287 -0.0016 0.0096 312 GLU D CD +15903 O OE1 A GLU D 302 ? 0.6866 0.5981 0.5946 -0.0294 0.0008 0.0095 312 GLU D OE1 +15904 O OE1 B GLU D 302 ? 0.6869 0.5985 0.5949 -0.0293 0.0006 0.0095 312 GLU D OE1 +15905 O OE2 A GLU D 302 ? 0.6741 0.5853 0.5820 -0.0279 -0.0025 0.0092 312 GLU D OE2 +15906 O OE2 B GLU D 302 ? 0.6731 0.5844 0.5811 -0.0279 -0.0027 0.0092 312 GLU D OE2 +15907 N N A THR D 303 ? 0.6570 0.5780 0.5785 -0.0294 -0.0057 0.0108 313 THR D N +15908 N N B THR D 303 ? 0.6591 0.5801 0.5806 -0.0294 -0.0058 0.0109 313 THR D N +15909 C CA A THR D 303 ? 0.6299 0.5538 0.5554 -0.0290 -0.0064 0.0105 313 THR D CA +15910 C CA B THR D 303 ? 0.6298 0.5536 0.5552 -0.0290 -0.0064 0.0105 313 THR D CA +15911 C C A THR D 303 ? 0.6247 0.5479 0.5497 -0.0281 -0.0073 0.0101 313 THR D C +15912 C C B THR D 303 ? 0.6253 0.5485 0.5503 -0.0281 -0.0072 0.0101 313 THR D C +15913 O O A THR D 303 ? 0.5958 0.5166 0.5176 -0.0279 -0.0076 0.0101 313 THR D O +15914 O O B THR D 303 ? 0.5959 0.5166 0.5177 -0.0279 -0.0075 0.0101 313 THR D O +15915 C CB A THR D 303 ? 0.6365 0.5618 0.5640 -0.0291 -0.0079 0.0111 313 THR D CB +15916 C CB B THR D 303 ? 0.6374 0.5627 0.5649 -0.0291 -0.0079 0.0111 313 THR D CB +15917 O OG1 A THR D 303 ? 0.6535 0.5774 0.5793 -0.0287 -0.0096 0.0116 313 THR D OG1 +15918 O OG1 B THR D 303 ? 0.6555 0.5795 0.5815 -0.0287 -0.0096 0.0116 313 THR D OG1 +15919 C CG2 A THR D 303 ? 0.5408 0.4664 0.4685 -0.0300 -0.0073 0.0115 313 THR D CG2 +15920 C CG2 B THR D 303 ? 0.5398 0.4652 0.4672 -0.0300 -0.0073 0.0115 313 THR D CG2 +15921 N N A PHE D 304 ? 0.6347 0.5600 0.5628 -0.0276 -0.0077 0.0098 314 PHE D N +15922 N N B PHE D 304 ? 0.6361 0.5613 0.5642 -0.0276 -0.0077 0.0098 314 PHE D N +15923 C CA A PHE D 304 ? 0.6496 0.5739 0.5772 -0.0269 -0.0086 0.0094 314 PHE D CA +15924 C CA B PHE D 304 ? 0.6521 0.5764 0.5797 -0.0269 -0.0086 0.0095 314 PHE D CA +15925 C C A PHE D 304 ? 0.5999 0.5231 0.5264 -0.0269 -0.0105 0.0100 314 PHE D C +15926 C C B PHE D 304 ? 0.6006 0.5238 0.5272 -0.0269 -0.0105 0.0100 314 PHE D C +15927 O O A PHE D 304 ? 0.6153 0.5369 0.5403 -0.0265 -0.0113 0.0097 314 PHE D O +15928 O O B PHE D 304 ? 0.6165 0.5381 0.5416 -0.0265 -0.0113 0.0097 314 PHE D O +15929 C CB A PHE D 304 ? 0.5656 0.4919 0.4964 -0.0262 -0.0087 0.0090 314 PHE D CB +15930 C CB B PHE D 304 ? 0.5651 0.4915 0.4960 -0.0262 -0.0087 0.0090 314 PHE D CB +15931 C CG A PHE D 304 ? 0.6414 0.5686 0.5729 -0.0258 -0.0070 0.0082 314 PHE D CG +15932 C CG B PHE D 304 ? 0.6437 0.5708 0.5752 -0.0258 -0.0070 0.0082 314 PHE D CG +15933 C CD1 A PHE D 304 ? 0.5786 0.5037 0.5078 -0.0252 -0.0063 0.0075 314 PHE D CD1 +15934 C CD1 B PHE D 304 ? 0.5777 0.5029 0.5070 -0.0252 -0.0064 0.0076 314 PHE D CD1 +15935 C CD2 A PHE D 304 ? 0.5570 0.4869 0.4915 -0.0260 -0.0059 0.0079 314 PHE D CD2 +15936 C CD2 B PHE D 304 ? 0.5568 0.4868 0.4913 -0.0260 -0.0060 0.0079 314 PHE D CD2 +15937 C CE1 A PHE D 304 ? 0.6249 0.5509 0.5547 -0.0247 -0.0046 0.0067 314 PHE D CE1 +15938 C CE1 B PHE D 304 ? 0.6267 0.5527 0.5566 -0.0247 -0.0046 0.0067 314 PHE D CE1 +15939 C CE2 A PHE D 304 ? 0.5978 0.5289 0.5334 -0.0256 -0.0042 0.0070 314 PHE D CE2 +15940 C CE2 B PHE D 304 ? 0.5984 0.5295 0.5339 -0.0256 -0.0043 0.0070 314 PHE D CE2 +15941 C CZ A PHE D 304 ? 0.6302 0.5593 0.5634 -0.0249 -0.0035 0.0064 314 PHE D CZ +15942 C CZ B PHE D 304 ? 0.6318 0.5609 0.5650 -0.0249 -0.0035 0.0064 314 PHE D CZ +15943 N N A TYR D 305 ? 0.5506 0.4746 0.4778 -0.0273 -0.0112 0.0107 315 TYR D N +15944 N N B TYR D 305 ? 0.5488 0.4728 0.4760 -0.0273 -0.0113 0.0107 315 TYR D N +15945 C CA A TYR D 305 ? 0.5815 0.5047 0.5078 -0.0274 -0.0129 0.0112 315 TYR D CA +15946 C CA B TYR D 305 ? 0.5812 0.5044 0.5075 -0.0274 -0.0129 0.0112 315 TYR D CA +15947 C C A TYR D 305 ? 0.6477 0.5685 0.5703 -0.0274 -0.0130 0.0112 315 TYR D C +15948 C C B TYR D 305 ? 0.6502 0.5710 0.5729 -0.0274 -0.0131 0.0112 315 TYR D C +15949 O O A TYR D 305 ? 0.6021 0.5219 0.5236 -0.0272 -0.0143 0.0110 315 TYR D O +15950 O O B TYR D 305 ? 0.6016 0.5213 0.5230 -0.0272 -0.0142 0.0110 315 TYR D O +15951 C CB A TYR D 305 ? 0.5726 0.4973 0.5005 -0.0277 -0.0134 0.0119 315 TYR D CB +15952 C CB B TYR D 305 ? 0.5729 0.4976 0.5007 -0.0277 -0.0135 0.0119 315 TYR D CB +15953 C CG A TYR D 305 ? 0.5514 0.4754 0.4780 -0.0278 -0.0147 0.0124 315 TYR D CG +15954 C CG B TYR D 305 ? 0.5508 0.4748 0.4773 -0.0278 -0.0148 0.0124 315 TYR D CG +15955 C CD1 A TYR D 305 ? 0.5729 0.4974 0.5004 -0.0277 -0.0161 0.0126 315 TYR D CD1 +15956 C CD1 B TYR D 305 ? 0.5734 0.4979 0.5009 -0.0277 -0.0162 0.0126 315 TYR D CD1 +15957 C CD2 A TYR D 305 ? 0.5403 0.4632 0.4647 -0.0279 -0.0146 0.0127 315 TYR D CD2 +15958 C CD2 B TYR D 305 ? 0.5397 0.4625 0.4639 -0.0279 -0.0146 0.0127 315 TYR D CD2 +15959 C CE1 A TYR D 305 ? 0.5710 0.4953 0.4978 -0.0277 -0.0173 0.0129 315 TYR D CE1 +15960 C CE1 B TYR D 305 ? 0.5721 0.4964 0.4988 -0.0277 -0.0173 0.0129 315 TYR D CE1 +15961 C CE2 A TYR D 305 ? 0.5755 0.4979 0.4987 -0.0277 -0.0159 0.0131 315 TYR D CE2 +15962 C CE2 B TYR D 305 ? 0.5763 0.4986 0.4993 -0.0277 -0.0159 0.0131 315 TYR D CE2 +15963 C CZ A TYR D 305 ? 0.5989 0.5223 0.5235 -0.0276 -0.0172 0.0132 315 TYR D CZ +15964 C CZ B TYR D 305 ? 0.5991 0.5224 0.5236 -0.0276 -0.0173 0.0132 315 TYR D CZ +15965 O OH A TYR D 305 ? 0.5433 0.4668 0.4673 -0.0274 -0.0185 0.0134 315 TYR D OH +15966 O OH B TYR D 305 ? 0.5416 0.4650 0.4655 -0.0274 -0.0185 0.0134 315 TYR D OH +15967 N N A THR D 306 ? 0.6047 0.5245 0.5254 -0.0276 -0.0119 0.0113 316 THR D N +15968 N N B THR D 306 ? 0.6055 0.5253 0.5261 -0.0276 -0.0119 0.0113 316 THR D N +15969 C CA A THR D 306 ? 0.5926 0.5098 0.5093 -0.0274 -0.0121 0.0112 316 THR D CA +15970 C CA B THR D 306 ? 0.5923 0.5094 0.5090 -0.0274 -0.0121 0.0112 316 THR D CA +15971 C C A THR D 306 ? 0.6130 0.5286 0.5278 -0.0270 -0.0117 0.0105 316 THR D C +15972 C C B THR D 306 ? 0.6139 0.5295 0.5287 -0.0270 -0.0117 0.0105 316 THR D C +15973 O O A THR D 306 ? 0.5989 0.5125 0.5109 -0.0267 -0.0127 0.0103 316 THR D O +15974 O O B THR D 306 ? 0.5985 0.5121 0.5106 -0.0267 -0.0127 0.0103 316 THR D O +15975 C CB A THR D 306 ? 0.6269 0.5428 0.5413 -0.0277 -0.0109 0.0116 316 THR D CB +15976 C CB B THR D 306 ? 0.6276 0.5434 0.5420 -0.0277 -0.0109 0.0116 316 THR D CB +15977 O OG1 A THR D 306 ? 0.6520 0.5681 0.5669 -0.0281 -0.0088 0.0113 316 THR D OG1 +15978 O OG1 B THR D 306 ? 0.6541 0.5702 0.5690 -0.0281 -0.0088 0.0112 316 THR D OG1 +15979 C CG2 A THR D 306 ? 0.5872 0.5041 0.5029 -0.0280 -0.0115 0.0124 316 THR D CG2 +15980 C CG2 B THR D 306 ? 0.5879 0.5047 0.5035 -0.0280 -0.0114 0.0123 316 THR D CG2 +15981 N N A LYS D 307 ? 0.5711 0.4874 0.4873 -0.0270 -0.0103 0.0099 317 LYS D N +15982 N N B LYS D 307 ? 0.5695 0.4859 0.4858 -0.0269 -0.0103 0.0099 317 LYS D N +15983 C CA A LYS D 307 ? 0.5621 0.4768 0.4765 -0.0265 -0.0099 0.0091 317 LYS D CA +15984 C CA B LYS D 307 ? 0.5609 0.4757 0.4754 -0.0264 -0.0099 0.0091 317 LYS D CA +15985 C C A LYS D 307 ? 0.5981 0.5123 0.5127 -0.0262 -0.0117 0.0089 317 LYS D C +15986 C C B LYS D 307 ? 0.5991 0.5135 0.5139 -0.0261 -0.0117 0.0089 317 LYS D C +15987 O O A LYS D 307 ? 0.6035 0.5155 0.5153 -0.0259 -0.0122 0.0084 317 LYS D O +15988 O O B LYS D 307 ? 0.6052 0.5173 0.5171 -0.0258 -0.0121 0.0083 317 LYS D O +15989 C CB A LYS D 307 ? 0.5720 0.4880 0.4884 -0.0263 -0.0081 0.0086 317 LYS D CB +15990 C CB B LYS D 307 ? 0.5713 0.4874 0.4878 -0.0263 -0.0081 0.0086 317 LYS D CB +15991 C CG A LYS D 307 ? 0.6217 0.5374 0.5368 -0.0267 -0.0058 0.0085 317 LYS D CG +15992 C CG B LYS D 307 ? 0.6229 0.5388 0.5383 -0.0267 -0.0059 0.0085 317 LYS D CG +15993 C CD A LYS D 307 ? 0.6211 0.5394 0.5396 -0.0267 -0.0043 0.0080 317 LYS D CD +15994 C CD B LYS D 307 ? 0.6218 0.5402 0.5405 -0.0266 -0.0042 0.0080 317 LYS D CD +15995 C CE A LYS D 307 ? 0.6384 0.5565 0.5572 -0.0257 -0.0039 0.0071 317 LYS D CE +15996 C CE B LYS D 307 ? 0.6405 0.5586 0.5593 -0.0257 -0.0039 0.0071 317 LYS D CE +15997 N NZ A LYS D 307 ? 0.5801 0.4954 0.4948 -0.0254 -0.0027 0.0066 317 LYS D NZ +15998 N NZ B LYS D 307 ? 0.5782 0.4934 0.4928 -0.0254 -0.0026 0.0066 317 LYS D NZ +15999 N N A ASN D 308 ? 0.5498 0.4660 0.4676 -0.0263 -0.0127 0.0092 318 ASN D N +16000 N N B ASN D 308 ? 0.5468 0.4630 0.4647 -0.0263 -0.0127 0.0092 318 ASN D N +16001 C CA A ASN D 308 ? 0.5985 0.5142 0.5167 -0.0262 -0.0142 0.0089 318 ASN D CA +16002 C CA B ASN D 308 ? 0.5993 0.5151 0.5176 -0.0262 -0.0142 0.0089 318 ASN D CA +16003 C C A ASN D 308 ? 0.5813 0.4960 0.4977 -0.0265 -0.0159 0.0091 318 ASN D C +16004 C C B ASN D 308 ? 0.5812 0.4960 0.4977 -0.0265 -0.0159 0.0091 318 ASN D C +16005 O O A ASN D 308 ? 0.6321 0.5455 0.5473 -0.0265 -0.0169 0.0086 318 ASN D O +16006 O O B ASN D 308 ? 0.6335 0.5469 0.5488 -0.0265 -0.0169 0.0086 318 ASN D O +16007 C CB A ASN D 308 ? 0.5549 0.4727 0.4767 -0.0263 -0.0147 0.0093 318 ASN D CB +16008 C CB B ASN D 308 ? 0.5530 0.4708 0.4749 -0.0263 -0.0147 0.0093 318 ASN D CB +16009 C CG A ASN D 308 ? 0.6737 0.5923 0.5972 -0.0257 -0.0135 0.0089 318 ASN D CG +16010 C CG B ASN D 308 ? 0.6763 0.5949 0.5998 -0.0257 -0.0135 0.0089 318 ASN D CG +16011 O OD1 A ASN D 308 ? 0.6558 0.5732 0.5778 -0.0252 -0.0124 0.0082 318 ASN D OD1 +16012 O OD1 B ASN D 308 ? 0.6577 0.5751 0.5797 -0.0253 -0.0124 0.0082 318 ASN D OD1 +16013 N ND2 A ASN D 308 ? 0.5827 0.5033 0.5093 -0.0257 -0.0136 0.0093 318 ASN D ND2 +16014 N ND2 B ASN D 308 ? 0.5827 0.5033 0.5093 -0.0256 -0.0136 0.0092 318 ASN D ND2 +16015 N N A LEU D 309 ? 0.5822 0.4975 0.4982 -0.0267 -0.0162 0.0097 319 LEU D N +16016 N N B LEU D 309 ? 0.5819 0.4972 0.4980 -0.0267 -0.0162 0.0097 319 LEU D N +16017 C CA A LEU D 309 ? 0.5642 0.4789 0.4786 -0.0267 -0.0178 0.0098 319 LEU D CA +16018 C CA B LEU D 309 ? 0.5635 0.4782 0.4780 -0.0267 -0.0178 0.0098 319 LEU D CA +16019 C C A LEU D 309 ? 0.6290 0.5409 0.5394 -0.0264 -0.0180 0.0092 319 LEU D C +16020 C C B LEU D 309 ? 0.6298 0.5418 0.5403 -0.0264 -0.0179 0.0092 319 LEU D C +16021 O O A LEU D 309 ? 0.6354 0.5467 0.5447 -0.0264 -0.0196 0.0088 319 LEU D O +16022 O O B LEU D 309 ? 0.6368 0.5479 0.5460 -0.0264 -0.0195 0.0087 319 LEU D O +16023 C CB A LEU D 309 ? 0.5820 0.4977 0.4966 -0.0268 -0.0180 0.0106 319 LEU D CB +16024 C CB B LEU D 309 ? 0.5820 0.4977 0.4967 -0.0268 -0.0180 0.0106 319 LEU D CB +16025 C CG A LEU D 309 ? 0.5761 0.4943 0.4943 -0.0271 -0.0181 0.0113 319 LEU D CG +16026 C CG B LEU D 309 ? 0.5762 0.4944 0.4944 -0.0271 -0.0183 0.0113 319 LEU D CG +16027 C CD1 A LEU D 309 ? 0.6232 0.5419 0.5409 -0.0270 -0.0187 0.0119 319 LEU D CD1 +16028 C CD1 B LEU D 309 ? 0.6402 0.5589 0.5578 -0.0270 -0.0191 0.0118 319 LEU D CD1 +16029 C CD2 A LEU D 309 ? 0.5717 0.4911 0.4924 -0.0274 -0.0192 0.0111 319 LEU D CD2 +16030 C CD2 B LEU D 309 ? 0.5730 0.4924 0.4936 -0.0274 -0.0193 0.0111 319 LEU D CD2 +16031 N N A LEU D 310 ? 0.5597 0.4701 0.4678 -0.0261 -0.0163 0.0090 320 LEU D N +16032 N N B LEU D 310 ? 0.5570 0.4674 0.4652 -0.0261 -0.0162 0.0090 320 LEU D N +16033 C CA A LEU D 310 ? 0.6465 0.5540 0.5504 -0.0256 -0.0162 0.0084 320 LEU D CA +16034 C CA B LEU D 310 ? 0.6480 0.5555 0.5519 -0.0256 -0.0161 0.0084 320 LEU D CA +16035 C C A LEU D 310 ? 0.6307 0.5373 0.5344 -0.0256 -0.0168 0.0075 320 LEU D C +16036 C C B LEU D 310 ? 0.6310 0.5377 0.5348 -0.0256 -0.0168 0.0075 320 LEU D C +16037 O O A LEU D 310 ? 0.6422 0.5469 0.5431 -0.0254 -0.0180 0.0069 320 LEU D O +16038 O O B LEU D 310 ? 0.6433 0.5480 0.5442 -0.0254 -0.0180 0.0069 320 LEU D O +16039 C CB A LEU D 310 ? 0.5921 0.4983 0.4939 -0.0255 -0.0138 0.0084 320 LEU D CB +16040 C CB B LEU D 310 ? 0.5914 0.4977 0.4933 -0.0255 -0.0138 0.0084 320 LEU D CB +16041 C CG A LEU D 310 ? 0.6867 0.5927 0.5873 -0.0256 -0.0132 0.0092 320 LEU D CG +16042 C CG B LEU D 310 ? 0.6899 0.5959 0.5905 -0.0256 -0.0131 0.0092 320 LEU D CG +16043 C CD1 A LEU D 310 ? 0.6339 0.5394 0.5339 -0.0258 -0.0105 0.0092 320 LEU D CD1 +16044 C CD1 B LEU D 310 ? 0.6342 0.5398 0.5344 -0.0258 -0.0104 0.0092 320 LEU D CD1 +16045 C CD2 A LEU D 310 ? 0.6085 0.5118 0.5046 -0.0251 -0.0143 0.0093 320 LEU D CD2 +16046 C CD2 B LEU D 310 ? 0.6090 0.5122 0.5050 -0.0251 -0.0142 0.0093 320 LEU D CD2 +16047 N N A LEU D 311 ? 0.6393 0.5471 0.5459 -0.0257 -0.0161 0.0073 321 LEU D N +16048 N N B LEU D 311 ? 0.6415 0.5494 0.5482 -0.0257 -0.0161 0.0073 321 LEU D N +16049 C CA A LEU D 311 ? 0.6197 0.5265 0.5264 -0.0256 -0.0168 0.0065 321 LEU D CA +16050 C CA B LEU D 311 ? 0.6209 0.5277 0.5276 -0.0256 -0.0168 0.0065 321 LEU D CA +16051 C C A LEU D 311 ? 0.6177 0.5248 0.5251 -0.0262 -0.0191 0.0065 321 LEU D C +16052 C C B LEU D 311 ? 0.6191 0.5263 0.5267 -0.0262 -0.0190 0.0065 321 LEU D C +16053 O O A LEU D 311 ? 0.6301 0.5354 0.5357 -0.0262 -0.0201 0.0057 321 LEU D O +16054 O O B LEU D 311 ? 0.6300 0.5354 0.5357 -0.0262 -0.0200 0.0057 321 LEU D O +16055 C CB A LEU D 311 ? 0.5743 0.4823 0.4839 -0.0254 -0.0157 0.0065 321 LEU D CB +16056 C CB B LEU D 311 ? 0.5738 0.4819 0.4835 -0.0254 -0.0157 0.0065 321 LEU D CB +16057 C CG A LEU D 311 ? 0.6315 0.5398 0.5410 -0.0249 -0.0134 0.0064 321 LEU D CG +16058 C CG B LEU D 311 ? 0.6332 0.5415 0.5428 -0.0249 -0.0134 0.0064 321 LEU D CG +16059 C CD1 A LEU D 311 ? 0.5653 0.4753 0.4781 -0.0246 -0.0126 0.0063 321 LEU D CD1 +16060 C CD1 B LEU D 311 ? 0.5648 0.4748 0.4777 -0.0246 -0.0125 0.0063 321 LEU D CD1 +16061 C CD2 A LEU D 311 ? 0.5472 0.4526 0.4526 -0.0244 -0.0126 0.0056 321 LEU D CD2 +16062 C CD2 B LEU D 311 ? 0.5462 0.4516 0.4516 -0.0244 -0.0126 0.0056 321 LEU D CD2 +16063 N N A ASN D 312 ? 0.5695 0.4791 0.4799 -0.0267 -0.0198 0.0072 322 ASN D N +16064 N N B ASN D 312 ? 0.5669 0.4766 0.4773 -0.0266 -0.0197 0.0073 322 ASN D N +16065 C CA A ASN D 312 ? 0.6067 0.5172 0.5183 -0.0273 -0.0217 0.0072 322 ASN D CA +16066 C CA B ASN D 312 ? 0.6073 0.5177 0.5188 -0.0273 -0.0217 0.0072 322 ASN D CA +16067 C C A ASN D 312 ? 0.5731 0.4823 0.4817 -0.0272 -0.0231 0.0068 322 ASN D C +16068 C C B ASN D 312 ? 0.5711 0.4804 0.4798 -0.0272 -0.0231 0.0068 322 ASN D C +16069 O O A ASN D 312 ? 0.6249 0.5335 0.5331 -0.0276 -0.0247 0.0061 322 ASN D O +16070 O O B ASN D 312 ? 0.6255 0.5343 0.5339 -0.0276 -0.0247 0.0061 322 ASN D O +16071 C CB A ASN D 312 ? 0.5505 0.4638 0.4655 -0.0277 -0.0220 0.0081 322 ASN D CB +16072 C CB B ASN D 312 ? 0.5495 0.4628 0.4645 -0.0277 -0.0220 0.0081 322 ASN D CB +16073 C CG A ASN D 312 ? 0.6163 0.5309 0.5342 -0.0278 -0.0211 0.0085 322 ASN D CG +16074 C CG B ASN D 312 ? 0.6188 0.5332 0.5367 -0.0278 -0.0210 0.0085 322 ASN D CG +16075 O OD1 A ASN D 312 ? 0.6306 0.5440 0.5485 -0.0277 -0.0206 0.0081 322 ASN D OD1 +16076 O OD1 B ASN D 312 ? 0.6316 0.5448 0.5493 -0.0277 -0.0205 0.0080 322 ASN D OD1 +16077 N ND2 A ASN D 312 ? 0.5458 0.4626 0.4661 -0.0280 -0.0210 0.0094 322 ASN D ND2 +16078 N ND2 B ASN D 312 ? 0.5485 0.4652 0.4688 -0.0280 -0.0208 0.0094 322 ASN D ND2 +16079 N N A GLU D 313 ? 0.6179 0.5266 0.5243 -0.0266 -0.0226 0.0071 323 GLU D N +16080 N N B GLU D 313 ? 0.6190 0.5278 0.5254 -0.0266 -0.0226 0.0071 323 GLU D N +16081 C CA A GLU D 313 ? 0.5957 0.5030 0.4988 -0.0262 -0.0239 0.0068 323 GLU D CA +16082 C CA B GLU D 313 ? 0.5953 0.5026 0.4984 -0.0262 -0.0239 0.0068 323 GLU D CA +16083 C C A GLU D 313 ? 0.6371 0.5414 0.5367 -0.0259 -0.0242 0.0057 323 GLU D C +16084 C C B GLU D 313 ? 0.6375 0.5418 0.5371 -0.0259 -0.0242 0.0057 323 GLU D C +16085 O O A GLU D 313 ? 0.5990 0.5027 0.4972 -0.0260 -0.0261 0.0050 323 GLU D O +16086 O O B GLU D 313 ? 0.5958 0.4993 0.4937 -0.0259 -0.0260 0.0050 323 GLU D O +16087 C CB A GLU D 313 ? 0.5698 0.4765 0.4707 -0.0255 -0.0229 0.0075 323 GLU D CB +16088 C CB B GLU D 313 ? 0.5686 0.4753 0.4695 -0.0255 -0.0230 0.0075 323 GLU D CB +16089 C CG A GLU D 313 ? 0.5578 0.4670 0.4614 -0.0256 -0.0232 0.0084 323 GLU D CG +16090 C CG B GLU D 313 ? 0.5561 0.4654 0.4599 -0.0256 -0.0232 0.0085 323 GLU D CG +16091 C CD A GLU D 313 ? 0.6556 0.5645 0.5584 -0.0253 -0.0215 0.0093 323 GLU D CD +16092 C CD B GLU D 313 ? 0.6573 0.5661 0.5600 -0.0253 -0.0214 0.0093 323 GLU D CD +16093 O OE1 A GLU D 313 ? 0.6127 0.5190 0.5117 -0.0249 -0.0203 0.0092 323 GLU D OE1 +16094 O OE1 B GLU D 313 ? 0.6136 0.5198 0.5127 -0.0249 -0.0202 0.0091 323 GLU D OE1 +16095 O OE2 A GLU D 313 ? 0.6279 0.5388 0.5335 -0.0256 -0.0212 0.0100 323 GLU D OE2 +16096 O OE2 B GLU D 313 ? 0.6284 0.5393 0.5338 -0.0255 -0.0212 0.0100 323 GLU D OE2 +16097 N N A GLY D 314 ? 0.6245 0.5272 0.5230 -0.0257 -0.0224 0.0054 324 GLY D N +16098 N N B GLY D 314 ? 0.6242 0.5270 0.5228 -0.0257 -0.0224 0.0054 324 GLY D N +16099 C CA A GLY D 314 ? 0.5931 0.4930 0.4885 -0.0254 -0.0226 0.0043 324 GLY D CA +16100 C CA B GLY D 314 ? 0.5930 0.4929 0.4885 -0.0254 -0.0225 0.0043 324 GLY D CA +16101 C C A GLY D 314 ? 0.6209 0.5210 0.5180 -0.0262 -0.0242 0.0036 324 GLY D C +16102 C C B GLY D 314 ? 0.6200 0.5201 0.5171 -0.0262 -0.0241 0.0036 324 GLY D C +16103 O O A GLY D 314 ? 0.6954 0.5938 0.5902 -0.0263 -0.0258 0.0027 324 GLY D O +16104 O O B GLY D 314 ? 0.7002 0.5985 0.5949 -0.0263 -0.0256 0.0026 324 GLY D O +16105 N N A ILE D 315 ? 0.6506 0.5526 0.5517 -0.0268 -0.0239 0.0040 325 ILE D N +16106 N N B ILE D 315 ? 0.6523 0.5543 0.5535 -0.0268 -0.0239 0.0040 325 ILE D N +16107 C CA A ILE D 315 ? 0.6704 0.5723 0.5731 -0.0277 -0.0252 0.0034 325 ILE D CA +16108 C CA B ILE D 315 ? 0.6719 0.5738 0.5746 -0.0277 -0.0252 0.0034 325 ILE D CA +16109 C C A ILE D 315 ? 0.6360 0.5389 0.5389 -0.0284 -0.0275 0.0031 325 ILE D C +16110 C C B ILE D 315 ? 0.6363 0.5393 0.5393 -0.0284 -0.0275 0.0031 325 ILE D C +16111 O O A ILE D 315 ? 0.6982 0.5996 0.5997 -0.0288 -0.0289 0.0020 325 ILE D O +16112 O O B ILE D 315 ? 0.7005 0.6020 0.6023 -0.0289 -0.0288 0.0020 325 ILE D O +16113 C CB A ILE D 315 ? 0.6555 0.5595 0.5624 -0.0282 -0.0245 0.0041 325 ILE D CB +16114 C CB B ILE D 315 ? 0.6571 0.5611 0.5641 -0.0281 -0.0244 0.0041 325 ILE D CB +16115 C CG1 A ILE D 315 ? 0.6337 0.5367 0.5405 -0.0274 -0.0225 0.0041 325 ILE D CG1 +16116 C CG1 B ILE D 315 ? 0.6330 0.5358 0.5397 -0.0274 -0.0225 0.0041 325 ILE D CG1 +16117 C CG2 A ILE D 315 ? 0.6046 0.5087 0.5133 -0.0293 -0.0259 0.0037 325 ILE D CG2 +16118 C CG2 B ILE D 315 ? 0.6041 0.5082 0.5129 -0.0293 -0.0259 0.0037 325 ILE D CG2 +16119 C CD1 A ILE D 315 ? 0.5809 0.4862 0.4917 -0.0276 -0.0217 0.0050 325 ILE D CD1 +16120 C CD1 B ILE D 315 ? 0.5830 0.4880 0.4936 -0.0275 -0.0217 0.0049 325 ILE D CD1 +16121 N N . ARG D 316 ? 0.6476 0.5531 0.5523 -0.0284 -0.0280 0.0039 326 ARG D N +16122 C CA . ARG D 316 ? 0.6068 0.5139 0.5123 -0.0289 -0.0302 0.0035 326 ARG D CA +16123 C C . ARG D 316 ? 0.7272 0.6321 0.6286 -0.0284 -0.0316 0.0025 326 ARG D C +16124 O O . ARG D 316 ? 0.6588 0.5637 0.5603 -0.0291 -0.0334 0.0015 326 ARG D O +16125 C CB . ARG D 316 ? 0.6270 0.5371 0.5346 -0.0286 -0.0303 0.0046 326 ARG D CB +16126 C CG . ARG D 316 ? 0.5910 0.5035 0.5029 -0.0293 -0.0294 0.0055 326 ARG D CG +16127 C CD . ARG D 316 ? 0.5754 0.4910 0.4895 -0.0292 -0.0300 0.0063 326 ARG D CD +16128 N NE . ARG D 316 ? 0.5747 0.4900 0.4869 -0.0280 -0.0293 0.0069 326 ARG D NE +16129 C CZ . ARG D 316 ? 0.7280 0.6437 0.6410 -0.0277 -0.0276 0.0078 326 ARG D CZ +16130 N NH1 . ARG D 316 ? 0.6459 0.5623 0.5614 -0.0283 -0.0265 0.0082 326 ARG D NH1 +16131 N NH2 . ARG D 316 ? 0.6044 0.5199 0.5157 -0.0269 -0.0272 0.0084 326 ARG D NH2 +16132 N N . ALA D 317 ? 0.6061 0.5091 0.5038 -0.0272 -0.0308 0.0027 327 ALA D N +16133 C CA . ALA D 317 ? 0.5801 0.4810 0.4735 -0.0265 -0.0322 0.0019 327 ALA D CA +16134 C C . ALA D 317 ? 0.6607 0.5586 0.5516 -0.0268 -0.0325 0.0006 327 ALA D C +16135 O O . ALA D 317 ? 0.6602 0.5571 0.5490 -0.0269 -0.0346 -0.0005 327 ALA D O +16136 C CB . ALA D 317 ? 0.6353 0.5344 0.5249 -0.0252 -0.0310 0.0025 327 ALA D CB +16137 N N A TRP D 318 ? 0.6807 0.5770 0.5714 -0.0268 -0.0306 0.0006 328 TRP D N +16138 N N B TRP D 318 ? 0.6814 0.5778 0.5722 -0.0269 -0.0306 0.0006 328 TRP D N +16139 C CA A TRP D 318 ? 0.6982 0.5912 0.5859 -0.0268 -0.0306 -0.0006 328 TRP D CA +16140 C CA B TRP D 318 ? 0.6998 0.5928 0.5875 -0.0268 -0.0305 -0.0006 328 TRP D CA +16141 C C A TRP D 318 ? 0.6864 0.5797 0.5765 -0.0282 -0.0319 -0.0015 328 TRP D C +16142 C C B TRP D 318 ? 0.6877 0.5809 0.5778 -0.0281 -0.0319 -0.0014 328 TRP D C +16143 O O A TRP D 318 ? 0.6619 0.5525 0.5493 -0.0284 -0.0330 -0.0027 328 TRP D O +16144 O O B TRP D 318 ? 0.6631 0.5535 0.5504 -0.0283 -0.0328 -0.0027 328 TRP D O +16145 C CB A TRP D 318 ? 0.6162 0.5073 0.5026 -0.0261 -0.0279 -0.0004 328 TRP D CB +16146 C CB B TRP D 318 ? 0.6152 0.5065 0.5018 -0.0261 -0.0278 -0.0003 328 TRP D CB +16147 C CG A TRP D 318 ? 0.6405 0.5300 0.5229 -0.0249 -0.0266 -0.0001 328 TRP D CG +16148 C CG B TRP D 318 ? 0.6405 0.5300 0.5231 -0.0249 -0.0266 -0.0001 328 TRP D CG +16149 C CD1 A TRP D 318 ? 0.6473 0.5382 0.5300 -0.0244 -0.0258 0.0010 328 TRP D CD1 +16150 C CD1 B TRP D 318 ? 0.6460 0.5370 0.5289 -0.0244 -0.0257 0.0011 328 TRP D CD1 +16151 C CD2 A TRP D 318 ? 0.6475 0.5332 0.5246 -0.0240 -0.0260 -0.0009 328 TRP D CD2 +16152 C CD2 B TRP D 318 ? 0.6467 0.5325 0.5240 -0.0240 -0.0260 -0.0009 328 TRP D CD2 +16153 N NE1 A TRP D 318 ? 0.6318 0.5200 0.5098 -0.0235 -0.0246 0.0010 328 TRP D NE1 +16154 N NE1 B TRP D 318 ? 0.6318 0.5201 0.5099 -0.0235 -0.0245 0.0010 328 TRP D NE1 +16155 C CE2 A TRP D 318 ? 0.6376 0.5227 0.5122 -0.0231 -0.0246 -0.0002 328 TRP D CE2 +16156 C CE2 B TRP D 318 ? 0.6363 0.5214 0.5109 -0.0232 -0.0246 -0.0002 328 TRP D CE2 +16157 C CE3 A TRP D 318 ? 0.6933 0.5758 0.5675 -0.0239 -0.0263 -0.0022 328 TRP D CE3 +16158 C CE3 B TRP D 318 ? 0.6945 0.5771 0.5688 -0.0239 -0.0264 -0.0022 328 TRP D CE3 +16159 C CZ2 A TRP D 318 ? 0.7080 0.5895 0.5771 -0.0222 -0.0235 -0.0007 328 TRP D CZ2 +16160 C CZ2 B TRP D 318 ? 0.7094 0.5909 0.5785 -0.0222 -0.0235 -0.0007 328 TRP D CZ2 +16161 C CZ3 A TRP D 318 ? 0.6320 0.5110 0.5008 -0.0228 -0.0253 -0.0028 328 TRP D CZ3 +16162 C CZ3 B TRP D 318 ? 0.6303 0.5094 0.4992 -0.0229 -0.0254 -0.0028 328 TRP D CZ3 +16163 C CH2 A TRP D 318 ? 0.6975 0.5761 0.5638 -0.0220 -0.0238 -0.0020 328 TRP D CH2 +16164 C CH2 B TRP D 318 ? 0.6982 0.5768 0.5646 -0.0220 -0.0239 -0.0020 328 TRP D CH2 +16165 N N . MET D 319 ? 0.6590 0.5552 0.5539 -0.0291 -0.0319 -0.0008 329 MET D N +16166 C CA . MET D 319 ? 0.6675 0.5636 0.5645 -0.0306 -0.0329 -0.0015 329 MET D CA +16167 C C . MET D 319 ? 0.7213 0.6199 0.6205 -0.0317 -0.0353 -0.0019 329 MET D C +16168 O O . MET D 319 ? 0.6771 0.5749 0.5768 -0.0330 -0.0366 -0.0029 329 MET D O +16169 C CB . MET D 319 ? 0.6709 0.5678 0.5712 -0.0310 -0.0314 -0.0006 329 MET D CB +16170 C CG . MET D 319 ? 0.7848 0.6855 0.6898 -0.0319 -0.0317 0.0003 329 MET D CG +16171 S SD . MET D 319 ? 0.7213 0.6225 0.6297 -0.0324 -0.0301 0.0012 329 MET D SD +16172 C CE . MET D 319 ? 0.7017 0.6006 0.6102 -0.0341 -0.0312 0.0001 329 MET D CE +16173 N N . ALA D 320 ? 0.6218 0.5233 0.5222 -0.0313 -0.0359 -0.0012 330 ALA D N +16174 C CA . ALA D 320 ? 0.6409 0.5456 0.5443 -0.0324 -0.0380 -0.0015 330 ALA D CA +16175 C C . ALA D 320 ? 0.7074 0.6111 0.6090 -0.0329 -0.0404 -0.0031 330 ALA D C +16176 O O . ALA D 320 ? 0.7572 0.6628 0.6618 -0.0345 -0.0417 -0.0037 330 ALA D O +16177 C CB . ALA D 320 ? 0.5337 0.4414 0.4383 -0.0314 -0.0382 -0.0005 330 ALA D CB +16178 N N . PRO D 321 ? 0.7842 0.6852 0.6810 -0.0318 -0.0411 -0.0039 331 PRO D N +16179 C CA . PRO D 321 ? 0.6971 0.5974 0.5923 -0.0324 -0.0438 -0.0055 331 PRO D CA +16180 C C . PRO D 321 ? 0.6818 0.5802 0.5775 -0.0341 -0.0441 -0.0067 331 PRO D C +16181 O O . PRO D 321 ? 0.6970 0.5970 0.5947 -0.0356 -0.0461 -0.0077 331 PRO D O +16182 C CB . PRO D 321 ? 0.6682 0.5650 0.5573 -0.0306 -0.0439 -0.0059 331 PRO D CB +16183 C CG . PRO D 321 ? 0.6562 0.5537 0.5449 -0.0292 -0.0421 -0.0043 331 PRO D CG +16184 C CD . PRO D 321 ? 0.6808 0.5798 0.5735 -0.0299 -0.0399 -0.0032 331 PRO D CD +16185 N N . GLN D 322 ? 0.6509 0.5460 0.5449 -0.0339 -0.0421 -0.0065 332 GLN D N +16186 C CA . GLN D 322 ? 0.5970 0.4898 0.4913 -0.0354 -0.0422 -0.0075 332 GLN D CA +16187 C C . GLN D 322 ? 0.8087 0.7041 0.7082 -0.0371 -0.0417 -0.0068 332 GLN D C +16188 O O . GLN D 322 ? 0.7028 0.5980 0.6038 -0.0390 -0.0428 -0.0078 332 GLN D O +16189 C CB . GLN D 322 ? 0.7675 0.6559 0.6580 -0.0344 -0.0403 -0.0075 332 GLN D CB +16190 C CG . GLN D 322 ? 0.7859 0.6710 0.6707 -0.0328 -0.0406 -0.0084 332 GLN D CG +16191 C CD . GLN D 322 ? 1.2055 1.0918 1.0889 -0.0311 -0.0396 -0.0072 332 GLN D CD +16192 O OE1 . GLN D 322 ? 0.8737 0.7632 0.7605 -0.0309 -0.0385 -0.0058 332 GLN D OE1 +16193 N NE2 . GLN D 322 ? 1.0409 0.9246 0.9191 -0.0298 -0.0400 -0.0078 332 GLN D NE2 +16194 N N . ASP D 323 ? 0.6836 0.5814 0.5858 -0.0366 -0.0400 -0.0052 333 ASP D N +16195 C CA . ASP D 323 ? 0.6382 0.5378 0.5448 -0.0380 -0.0393 -0.0045 333 ASP D CA +16196 C C . ASP D 323 ? 0.6672 0.5711 0.5778 -0.0395 -0.0409 -0.0046 333 ASP D C +16197 O O . ASP D 323 ? 0.6840 0.5889 0.5978 -0.0412 -0.0407 -0.0045 333 ASP D O +16198 C CB . ASP D 323 ? 0.6001 0.5005 0.5079 -0.0369 -0.0369 -0.0028 333 ASP D CB +16199 C CG . ASP D 323 ? 0.6422 0.5438 0.5538 -0.0381 -0.0359 -0.0019 333 ASP D CG +16200 O OD1 . ASP D 323 ? 0.6404 0.5392 0.5515 -0.0389 -0.0353 -0.0023 333 ASP D OD1 +16201 O OD2 . ASP D 323 ? 0.6565 0.5617 0.5712 -0.0382 -0.0357 -0.0009 333 ASP D OD2 +16202 N N . GLN D 324 ? 0.7141 0.6203 0.6244 -0.0387 -0.0424 -0.0049 334 GLN D N +16203 C CA . GLN D 324 ? 0.6701 0.5809 0.5844 -0.0398 -0.0441 -0.0051 334 GLN D CA +16204 C C . GLN D 324 ? 0.7381 0.6491 0.6506 -0.0398 -0.0468 -0.0068 334 GLN D C +16205 O O . GLN D 324 ? 0.7238 0.6372 0.6362 -0.0387 -0.0481 -0.0068 334 GLN D O +16206 C CB . GLN D 324 ? 0.6593 0.5736 0.5756 -0.0385 -0.0433 -0.0036 334 GLN D CB +16207 C CG . GLN D 324 ? 0.6258 0.5400 0.5437 -0.0383 -0.0408 -0.0021 334 GLN D CG +16208 C CD . GLN D 324 ? 0.7703 0.6876 0.6899 -0.0371 -0.0401 -0.0007 334 GLN D CD +16209 O OE1 . GLN D 324 ? 0.7470 0.6680 0.6693 -0.0373 -0.0414 -0.0008 334 GLN D OE1 +16210 N NE2 . GLN D 324 ? 0.6332 0.5491 0.5515 -0.0358 -0.0382 0.0004 334 GLN D NE2 +16211 N N . PRO D 325 ? 0.7053 0.6136 0.6163 -0.0412 -0.0478 -0.0082 335 PRO D N +16212 C CA . PRO D 325 ? 0.7565 0.6644 0.6652 -0.0411 -0.0505 -0.0100 335 PRO D CA +16213 C C . PRO D 325 ? 0.6632 0.5763 0.5757 -0.0418 -0.0528 -0.0106 335 PRO D C +16214 O O . PRO D 325 ? 0.7672 0.6809 0.6776 -0.0407 -0.0550 -0.0115 335 PRO D O +16215 C CB . PRO D 325 ? 0.7291 0.6332 0.6362 -0.0429 -0.0508 -0.0114 335 PRO D CB +16216 C CG . PRO D 325 ? 0.7138 0.6180 0.6243 -0.0445 -0.0489 -0.0105 335 PRO D CG +16217 C CD . PRO D 325 ? 0.6520 0.5575 0.5635 -0.0429 -0.0466 -0.0085 335 PRO D CD +16218 N N . HIS D 326 ? 0.6883 0.6052 0.6062 -0.0434 -0.0524 -0.0101 336 HIS D N +16219 C CA . HIS D 326 ? 0.7841 0.7065 0.7061 -0.0440 -0.0544 -0.0108 336 HIS D CA +16220 C C . HIS D 326 ? 0.8294 0.7545 0.7512 -0.0416 -0.0548 -0.0099 336 HIS D C +16221 O O . HIS D 326 ? 0.8104 0.7396 0.7345 -0.0414 -0.0570 -0.0107 336 HIS D O +16222 C CB . HIS D 326 ? 0.6988 0.6245 0.6266 -0.0463 -0.0533 -0.0103 336 HIS D CB +16223 C CG . HIS D 326 ? 0.7667 0.6923 0.6955 -0.0456 -0.0505 -0.0082 336 HIS D CG +16224 N ND1 . HIS D 326 ? 0.7472 0.6684 0.6737 -0.0457 -0.0483 -0.0075 336 HIS D ND1 +16225 C CD2 . HIS D 326 ? 0.6967 0.6257 0.6280 -0.0445 -0.0496 -0.0069 336 HIS D CD2 +16226 C CE1 . HIS D 326 ? 0.7855 0.7077 0.7134 -0.0448 -0.0463 -0.0057 336 HIS D CE1 +16227 N NE2 . HIS D 326 ? 0.7676 0.6944 0.6983 -0.0441 -0.0470 -0.0053 336 HIS D NE2 +16228 N N . GLU D 327 ? 0.7181 0.6413 0.6375 -0.0397 -0.0528 -0.0083 337 GLU D N +16229 C CA . GLU D 327 ? 0.6860 0.6110 0.6045 -0.0374 -0.0532 -0.0075 337 GLU D CA +16230 C C . GLU D 327 ? 0.7350 0.6577 0.6483 -0.0356 -0.0551 -0.0084 337 GLU D C +16231 O O . GLU D 327 ? 0.6678 0.5923 0.5805 -0.0338 -0.0563 -0.0081 337 GLU D O +16232 C CB . GLU D 327 ? 0.7150 0.6385 0.6325 -0.0361 -0.0504 -0.0055 337 GLU D CB +16233 C CG . GLU D 327 ? 0.7629 0.6892 0.6853 -0.0373 -0.0486 -0.0044 337 GLU D CG +16234 C CD . GLU D 327 ? 0.7756 0.7070 0.7019 -0.0369 -0.0492 -0.0039 337 GLU D CD +16235 O OE1 . GLU D 327 ? 0.8349 0.7681 0.7605 -0.0356 -0.0513 -0.0045 337 GLU D OE1 +16236 O OE2 . GLU D 327 ? 0.8645 0.7982 0.7946 -0.0376 -0.0477 -0.0029 337 GLU D OE2 +16237 N N . ASN D 328 ? 0.6952 0.6135 0.6044 -0.0359 -0.0555 -0.0094 338 ASN D N +16238 C CA . ASN D 328 ? 0.7705 0.6861 0.6743 -0.0342 -0.0573 -0.0104 338 ASN D CA +16239 C C . ASN D 328 ? 0.7296 0.6431 0.6294 -0.0317 -0.0559 -0.0089 338 ASN D C +16240 O O . ASN D 328 ? 0.7614 0.6749 0.6584 -0.0299 -0.0575 -0.0091 338 ASN D O +16241 C CB . ASN D 328 ? 0.8159 0.7352 0.7214 -0.0342 -0.0607 -0.0117 338 ASN D CB +16242 C CG . ASN D 328 ? 1.3578 1.2754 1.2614 -0.0353 -0.0629 -0.0138 338 ASN D CG +16243 O OD1 . ASN D 328 ? 1.4759 1.3904 1.3742 -0.0338 -0.0644 -0.0146 338 ASN D OD1 +16244 N ND2 . ASN D 328 ? 1.1307 1.0498 1.0384 -0.0380 -0.0631 -0.0147 338 ASN D ND2 +16245 N N . PHE D 329 ? 0.7789 0.6905 0.6783 -0.0316 -0.0529 -0.0075 339 PHE D N +16246 C CA . PHE D 329 ? 0.7516 0.6609 0.6472 -0.0295 -0.0513 -0.0062 339 PHE D CA +16247 C C . PHE D 329 ? 0.7107 0.6151 0.5996 -0.0283 -0.0517 -0.0070 339 PHE D C +16248 O O . PHE D 329 ? 0.7606 0.6619 0.6477 -0.0291 -0.0512 -0.0078 339 PHE D O +16249 C CB . PHE D 329 ? 0.7952 0.7038 0.6922 -0.0297 -0.0481 -0.0047 339 PHE D CB +16250 C CG . PHE D 329 ? 0.6649 0.5779 0.5678 -0.0306 -0.0473 -0.0037 339 PHE D CG +16251 C CD1 . PHE D 329 ? 0.7391 0.6557 0.6441 -0.0298 -0.0485 -0.0033 339 PHE D CD1 +16252 C CD2 . PHE D 329 ? 0.6482 0.5614 0.5541 -0.0320 -0.0455 -0.0032 339 PHE D CD2 +16253 C CE1 . PHE D 329 ? 0.7065 0.6270 0.6167 -0.0305 -0.0477 -0.0024 339 PHE D CE1 +16254 C CE2 . PHE D 329 ? 0.6940 0.6109 0.6049 -0.0328 -0.0448 -0.0023 339 PHE D CE2 +16255 C CZ . PHE D 329 ? 0.7230 0.6436 0.6361 -0.0321 -0.0458 -0.0019 339 PHE D CZ +16256 N N . VAL D 330 ? 0.7394 0.6429 0.6245 -0.0264 -0.0527 -0.0068 340 VAL D N +16257 C CA . VAL D 330 ? 0.7329 0.6314 0.6110 -0.0250 -0.0525 -0.0072 340 VAL D CA +16258 C C . VAL D 330 ? 0.7596 0.6566 0.6353 -0.0234 -0.0502 -0.0055 340 VAL D C +16259 O O . VAL D 330 ? 0.7495 0.6481 0.6252 -0.0221 -0.0509 -0.0048 340 VAL D O +16260 C CB . VAL D 330 ? 0.8407 0.7388 0.7157 -0.0240 -0.0559 -0.0086 340 VAL D CB +16261 C CG1 . VAL D 330 ? 0.7618 0.6543 0.6290 -0.0224 -0.0555 -0.0089 340 VAL D CG1 +16262 C CG2 . VAL D 330 ? 0.7912 0.6909 0.6690 -0.0260 -0.0582 -0.0105 340 VAL D CG2 +16263 N N . PHE D 331 ? 0.7204 0.6144 0.5943 -0.0235 -0.0474 -0.0049 341 PHE D N +16264 C CA . PHE D 331 ? 0.7994 0.6919 0.6712 -0.0223 -0.0448 -0.0033 341 PHE D CA +16265 C C . PHE D 331 ? 0.9035 0.7908 0.7682 -0.0211 -0.0441 -0.0038 341 PHE D C +16266 O O . PHE D 331 ? 0.7698 0.6547 0.6332 -0.0217 -0.0427 -0.0043 341 PHE D O +16267 C CB . PHE D 331 ? 0.7286 0.6222 0.6043 -0.0233 -0.0419 -0.0023 341 PHE D CB +16268 C CG . PHE D 331 ? 0.7376 0.6361 0.6201 -0.0245 -0.0422 -0.0018 341 PHE D CG +16269 C CD1 . PHE D 331 ? 0.7161 0.6180 0.6011 -0.0243 -0.0443 -0.0017 341 PHE D CD1 +16270 C CD2 . PHE D 331 ? 0.6780 0.5774 0.5641 -0.0256 -0.0401 -0.0012 341 PHE D CD2 +16271 C CE1 . PHE D 331 ? 0.7232 0.6294 0.6143 -0.0253 -0.0442 -0.0012 341 PHE D CE1 +16272 C CE2 . PHE D 331 ? 0.7657 0.6691 0.6576 -0.0267 -0.0401 -0.0006 341 PHE D CE2 +16273 C CZ . PHE D 331 ? 0.7015 0.6084 0.5959 -0.0266 -0.0421 -0.0006 341 PHE D CZ +16274 N N . PRO D 332 ? 0.8098 0.6951 0.6696 -0.0194 -0.0450 -0.0036 342 PRO D N +16275 C CA . PRO D 332 ? 0.7075 0.5875 0.5602 -0.0183 -0.0440 -0.0039 342 PRO D CA +16276 C C . PRO D 332 ? 0.7616 0.6397 0.6136 -0.0185 -0.0402 -0.0028 342 PRO D C +16277 O O . PRO D 332 ? 0.8216 0.7023 0.6778 -0.0189 -0.0384 -0.0016 342 PRO D O +16278 C CB . PRO D 332 ? 0.7398 0.6184 0.5880 -0.0165 -0.0455 -0.0034 342 PRO D CB +16279 C CG . PRO D 332 ? 0.7703 0.6536 0.6232 -0.0166 -0.0482 -0.0035 342 PRO D CG +16280 C CD . PRO D 332 ? 0.7158 0.6034 0.5762 -0.0184 -0.0471 -0.0032 342 PRO D CD +16281 N N . GLU D 333 ? 0.8293 0.7032 0.6762 -0.0180 -0.0388 -0.0033 343 GLU D N +16282 C CA . GLU D 333 ? 0.7889 0.6612 0.6352 -0.0181 -0.0351 -0.0025 343 GLU D CA +16283 C C . GLU D 333 ? 0.9115 0.7844 0.7581 -0.0176 -0.0332 -0.0009 343 GLU D C +16284 O O . GLU D 333 ? 0.7407 0.6149 0.5903 -0.0182 -0.0305 0.0000 343 GLU D O +16285 C CB . GLU D 333 ? 0.8240 0.6911 0.6634 -0.0172 -0.0340 -0.0033 343 GLU D CB +16286 C CG . GLU D 333 ? 0.9097 0.7753 0.7477 -0.0176 -0.0356 -0.0050 343 GLU D CG +16287 C CD . GLU D 333 ? 1.3334 1.1942 1.1657 -0.0169 -0.0333 -0.0055 343 GLU D CD +16288 O OE1 . GLU D 333 ? 1.0479 0.9080 0.8796 -0.0166 -0.0300 -0.0044 343 GLU D OE1 +16289 O OE2 . GLU D 333 ? 1.0961 0.9541 0.9248 -0.0166 -0.0347 -0.0069 343 GLU D OE2 +16290 N N . GLU D 334 ? 0.7112 0.5830 0.5543 -0.0164 -0.0346 -0.0004 344 GLU D N +16291 C CA . GLU D 334 ? 0.7704 0.6415 0.6122 -0.0158 -0.0327 0.0011 344 GLU D CA +16292 C C . GLU D 334 ? 0.6896 0.5652 0.5380 -0.0166 -0.0324 0.0021 344 GLU D C +16293 O O . GLU D 334 ? 0.7066 0.5820 0.5551 -0.0166 -0.0301 0.0033 344 GLU D O +16294 C CB . GLU D 334 ? 0.7057 0.5738 0.5414 -0.0141 -0.0344 0.0012 344 GLU D CB +16295 C CG . GLU D 334 ? 0.7223 0.5933 0.5603 -0.0137 -0.0380 0.0009 344 GLU D CG +16296 C CD . GLU D 334 ? 0.8118 0.6794 0.6431 -0.0118 -0.0403 0.0007 344 GLU D CD +16297 O OE1 . GLU D 334 ? 0.7297 0.5941 0.5562 -0.0112 -0.0412 -0.0004 344 GLU D OE1 +16298 O OE2 . GLU D 334 ? 0.7804 0.6484 0.6111 -0.0107 -0.0411 0.0016 344 GLU D OE2 +16299 N N . VAL D 335 ? 0.6416 0.5212 0.4954 -0.0174 -0.0345 0.0016 345 VAL D N +16300 C CA . VAL D 335 ? 0.6924 0.5763 0.5523 -0.0181 -0.0341 0.0025 345 VAL D CA +16301 C C . VAL D 335 ? 0.7310 0.6169 0.5957 -0.0196 -0.0320 0.0027 345 VAL D C +16302 O O . VAL D 335 ? 0.7708 0.6599 0.6403 -0.0202 -0.0313 0.0035 345 VAL D O +16303 C CB . VAL D 335 ? 0.7743 0.6621 0.6382 -0.0183 -0.0372 0.0021 345 VAL D CB +16304 C CG1 . VAL D 335 ? 0.7865 0.6727 0.6459 -0.0167 -0.0399 0.0017 345 VAL D CG1 +16305 C CG2 . VAL D 335 ? 0.6683 0.5581 0.5359 -0.0196 -0.0384 0.0009 345 VAL D CG2 +16306 N N . LEU D 336 ? 0.7147 0.5988 0.5782 -0.0200 -0.0311 0.0018 346 LEU D N +16307 C CA . LEU D 336 ? 0.7496 0.6356 0.6177 -0.0211 -0.0294 0.0019 346 LEU D CA +16308 C C . LEU D 336 ? 0.7620 0.6480 0.6307 -0.0211 -0.0263 0.0030 346 LEU D C +16309 O O . LEU D 336 ? 0.6813 0.5642 0.5456 -0.0205 -0.0245 0.0032 346 LEU D O +16310 C CB . LEU D 336 ? 0.6907 0.5743 0.5569 -0.0213 -0.0292 0.0006 346 LEU D CB +16311 C CG . LEU D 336 ? 0.7822 0.6665 0.6494 -0.0219 -0.0322 -0.0007 346 LEU D CG +16312 C CD1 . LEU D 336 ? 0.7661 0.6470 0.6301 -0.0219 -0.0317 -0.0019 346 LEU D CD1 +16313 C CD2 . LEU D 336 ? 0.6768 0.5652 0.5506 -0.0232 -0.0328 -0.0005 346 LEU D CD2 +16314 N N A PRO D 337 ? 0.7212 0.6105 0.5952 -0.0219 -0.0255 0.0038 347 PRO D N +16315 N N B PRO D 337 ? 0.7227 0.6121 0.5968 -0.0219 -0.0254 0.0038 347 PRO D N +16316 C CA A PRO D 337 ? 0.6540 0.5435 0.5289 -0.0220 -0.0226 0.0047 347 PRO D CA +16317 C CA B PRO D 337 ? 0.6537 0.5432 0.5286 -0.0220 -0.0225 0.0047 347 PRO D CA +16318 C C A PRO D 337 ? 0.6248 0.5129 0.4990 -0.0221 -0.0205 0.0041 347 PRO D C +16319 C C B PRO D 337 ? 0.6236 0.5117 0.4978 -0.0221 -0.0204 0.0041 347 PRO D C +16320 O O A PRO D 337 ? 0.6208 0.5094 0.4969 -0.0225 -0.0210 0.0033 347 PRO D O +16321 O O B PRO D 337 ? 0.6190 0.5075 0.4950 -0.0225 -0.0210 0.0033 347 PRO D O +16322 C CB A PRO D 337 ? 0.6612 0.5548 0.5421 -0.0228 -0.0227 0.0054 347 PRO D CB +16323 C CB B PRO D 337 ? 0.6611 0.5548 0.5421 -0.0228 -0.0227 0.0054 347 PRO D CB +16324 C CG A PRO D 337 ? 0.7295 0.6246 0.6131 -0.0234 -0.0249 0.0045 347 PRO D CG +16325 C CG B PRO D 337 ? 0.7324 0.6276 0.6160 -0.0234 -0.0250 0.0045 347 PRO D CG +16326 C CD A PRO D 337 ? 0.6354 0.5284 0.5149 -0.0228 -0.0271 0.0037 347 PRO D CD +16327 C CD B PRO D 337 ? 0.6344 0.5274 0.5138 -0.0227 -0.0271 0.0038 347 PRO D CD +16328 N N A ARG D 338 ? 0.6700 0.5561 0.5413 -0.0218 -0.0180 0.0044 348 ARG D N +16329 N N B ARG D 338 ? 0.6712 0.5573 0.5425 -0.0218 -0.0179 0.0044 348 ARG D N +16330 C CA A ARG D 338 ? 0.6679 0.5526 0.5381 -0.0217 -0.0157 0.0038 348 ARG D CA +16331 C CA B ARG D 338 ? 0.6687 0.5533 0.5389 -0.0217 -0.0157 0.0038 348 ARG D CA +16332 C C A ARG D 338 ? 0.6975 0.5820 0.5673 -0.0218 -0.0128 0.0046 348 ARG D C +16333 C C B ARG D 338 ? 0.6995 0.5839 0.5692 -0.0217 -0.0127 0.0046 348 ARG D C +16334 O O A ARG D 338 ? 0.6441 0.5272 0.5110 -0.0215 -0.0125 0.0054 348 ARG D O +16335 O O B ARG D 338 ? 0.6443 0.5274 0.5112 -0.0216 -0.0125 0.0054 348 ARG D O +16336 C CB A ARG D 338 ? 0.6987 0.5792 0.5630 -0.0209 -0.0160 0.0028 348 ARG D CB +16337 C CB B ARG D 338 ? 0.6992 0.5797 0.5635 -0.0209 -0.0161 0.0028 348 ARG D CB +16338 C CG A ARG D 338 ? 0.8049 0.6849 0.6685 -0.0208 -0.0190 0.0018 348 ARG D CG +16339 C CG B ARG D 338 ? 0.8096 0.6897 0.6734 -0.0209 -0.0191 0.0019 348 ARG D CG +16340 C CD A ARG D 338 ? 0.7217 0.5973 0.5789 -0.0200 -0.0193 0.0009 348 ARG D CD +16341 C CD B ARG D 338 ? 0.7190 0.5949 0.5766 -0.0200 -0.0195 0.0009 348 ARG D CD +16342 N NE A ARG D 338 ? 0.7147 0.5888 0.5711 -0.0198 -0.0175 0.0000 348 ARG D NE +16343 N NE B ARG D 338 ? 0.7162 0.5905 0.5728 -0.0199 -0.0176 0.0001 348 ARG D NE +16344 C CZ A ARG D 338 ? 0.7964 0.6671 0.6483 -0.0193 -0.0181 -0.0012 348 ARG D CZ +16345 C CZ B ARG D 338 ? 0.7988 0.6697 0.6509 -0.0193 -0.0182 -0.0011 348 ARG D CZ +16346 N NH1 A ARG D 338 ? 0.7483 0.6169 0.5963 -0.0188 -0.0206 -0.0017 348 ARG D NH1 +16347 N NH1 B ARG D 338 ? 0.7466 0.6154 0.5948 -0.0189 -0.0207 -0.0016 348 ARG D NH1 +16348 N NH2 A ARG D 338 ? 0.6603 0.5297 0.5117 -0.0190 -0.0164 -0.0020 348 ARG D NH2 +16349 N NH2 B ARG D 338 ? 0.6616 0.5312 0.5131 -0.0190 -0.0163 -0.0019 348 ARG D NH2 +16350 N N A GLY D 339 ? 0.6668 0.5526 0.5392 -0.0220 -0.0105 0.0045 349 GLY D N +16351 N N B GLY D 339 ? 0.6676 0.5533 0.5398 -0.0220 -0.0105 0.0044 349 GLY D N +16352 C CA A GLY D 339 ? 0.6522 0.5378 0.5239 -0.0222 -0.0075 0.0050 349 GLY D CA +16353 C CA B GLY D 339 ? 0.6537 0.5392 0.5254 -0.0222 -0.0075 0.0049 349 GLY D CA +16354 C C A GLY D 339 ? 0.7101 0.5916 0.5758 -0.0216 -0.0059 0.0045 349 GLY D C +16355 C C B GLY D 339 ? 0.7120 0.5935 0.5776 -0.0216 -0.0059 0.0045 349 GLY D C +16356 O O A GLY D 339 ? 0.7168 0.5955 0.5784 -0.0209 -0.0074 0.0038 349 GLY D O +16357 O O B GLY D 339 ? 0.7198 0.5984 0.5812 -0.0209 -0.0073 0.0038 349 GLY D O +16358 N N A ASN D 340 ? 0.6678 0.5491 0.5331 -0.0219 -0.0028 0.0047 350 ASN D N +16359 N N B ASN D 340 ? 0.6692 0.5504 0.5343 -0.0219 -0.0028 0.0047 350 ASN D N +16360 C CA A ASN D 340 ? 0.6109 0.4884 0.4704 -0.0214 -0.0008 0.0043 350 ASN D CA +16361 C CA B ASN D 340 ? 0.6090 0.4865 0.4685 -0.0214 -0.0008 0.0043 350 ASN D CA +16362 C C A ASN D 340 ? 0.6697 0.5465 0.5288 -0.0207 -0.0006 0.0030 350 ASN D C +16363 C C B ASN D 340 ? 0.6704 0.5472 0.5294 -0.0207 -0.0005 0.0031 350 ASN D C +16364 O O A ASN D 340 ? 0.6406 0.5204 0.5045 -0.0208 -0.0003 0.0026 350 ASN D O +16365 O O B ASN D 340 ? 0.6421 0.5219 0.5059 -0.0208 -0.0002 0.0026 350 ASN D O +16366 C CB A ASN D 340 ? 0.6085 0.4864 0.4683 -0.0220 0.0027 0.0048 350 ASN D CB +16367 C CB B ASN D 340 ? 0.6077 0.4857 0.4676 -0.0221 0.0027 0.0049 350 ASN D CB +16368 C CG A ASN D 340 ? 0.7176 0.5908 0.5703 -0.0217 0.0047 0.0049 350 ASN D CG +16369 C CG B ASN D 340 ? 0.7195 0.5930 0.5726 -0.0218 0.0048 0.0049 350 ASN D CG +16370 O OD1 A ASN D 340 ? 0.6843 0.5540 0.5319 -0.0212 0.0033 0.0053 350 ASN D OD1 +16371 O OD1 B ASN D 340 ? 0.6851 0.5550 0.5329 -0.0214 0.0037 0.0054 350 ASN D OD1 +16372 N ND2 A ASN D 340 ? 0.6525 0.5256 0.5049 -0.0219 0.0079 0.0044 350 ASN D ND2 +16373 N ND2 B ASN D 340 ? 0.6521 0.5256 0.5051 -0.0219 0.0080 0.0044 350 ASN D ND2 +16374 N N A ALA D 341 ? 0.6611 0.5337 0.5140 -0.0199 -0.0009 0.0024 351 ALA D N +16375 N N B ALA D 341 ? 0.6619 0.5344 0.5147 -0.0199 -0.0007 0.0024 351 ALA D N +16376 C CA A ALA D 341 ? 0.6693 0.5401 0.5202 -0.0191 -0.0003 0.0011 351 ALA D CA +16377 C CA B ALA D 341 ? 0.6671 0.5380 0.5180 -0.0191 0.0000 0.0012 351 ALA D CA +16378 C C A ALA D 341 ? 0.6895 0.5613 0.5429 -0.0188 -0.0031 0.0003 351 ALA D C +16379 C C B ALA D 341 ? 0.6930 0.5648 0.5463 -0.0189 -0.0027 0.0003 351 ALA D C +16380 O O A ALA D 341 ? 0.6852 0.5538 0.5344 -0.0182 -0.0044 -0.0007 351 ALA D O +16381 O O B ALA D 341 ? 0.6808 0.5497 0.5304 -0.0182 -0.0037 -0.0007 351 ALA D O +16382 C CB A ALA D 341 ? 0.6558 0.5284 0.5093 -0.0192 0.0033 0.0008 351 ALA D CB +16383 C CB B ALA D 341 ? 0.6541 0.5267 0.5074 -0.0192 0.0036 0.0009 351 ALA D CB +16384 N N A LEU D 342 ? 0.6991 0.5748 0.5587 -0.0195 -0.0040 0.0006 352 LEU D N +16385 N N B LEU D 342 ? 0.7026 0.5784 0.5621 -0.0195 -0.0039 0.0007 352 LEU D N +16386 C CA A LEU D 342 ? 0.7241 0.6007 0.5862 -0.0194 -0.0063 -0.0002 352 LEU D CA +16387 C CA B LEU D 342 ? 0.7250 0.6016 0.5870 -0.0194 -0.0061 -0.0001 352 LEU D CA +16388 C C A LEU D 342 ? 0.6869 0.5622 0.5471 -0.0196 -0.0097 -0.0003 352 LEU D C +16389 C C B LEU D 342 ? 0.6865 0.5618 0.5466 -0.0196 -0.0095 -0.0002 352 LEU D C +16390 O O A LEU D 342 ? 0.7210 0.5957 0.5815 -0.0195 -0.0115 -0.0011 352 LEU D O +16391 O O B LEU D 342 ? 0.7211 0.5961 0.5819 -0.0196 -0.0114 -0.0010 352 LEU D O +16392 C CB A LEU D 342 ? 0.6604 0.5414 0.5294 -0.0200 -0.0062 0.0003 352 LEU D CB +16393 C CB B LEU D 342 ? 0.6625 0.5436 0.5315 -0.0200 -0.0060 0.0004 352 LEU D CB +16394 C CG A LEU D 342 ? 0.7066 0.5895 0.5784 -0.0198 -0.0031 0.0002 352 LEU D CG +16395 C CG B LEU D 342 ? 0.7083 0.5911 0.5799 -0.0197 -0.0030 0.0002 352 LEU D CG +16396 C CD1 A LEU D 342 ? 0.6946 0.5814 0.5727 -0.0201 -0.0035 0.0004 352 LEU D CD1 +16397 C CD1 B LEU D 342 ? 0.6924 0.5790 0.5704 -0.0200 -0.0037 0.0004 352 LEU D CD1 +16398 C CD2 A LEU D 342 ? 0.6978 0.5780 0.5662 -0.0187 -0.0016 -0.0010 352 LEU D CD2 +16399 C CD2 B LEU D 342 ? 0.6967 0.5766 0.5647 -0.0187 -0.0016 -0.0010 352 LEU D CD2 +16400 O OXT A LEU D 342 ? 0.6911 0.5661 0.5497 -0.0197 -0.0107 0.0005 352 LEU D OXT +16401 O OXT B LEU D 342 ? 0.6923 0.5670 0.5504 -0.0197 -0.0105 0.0005 352 LEU D OXT +16402 N N . THR E 4 ? 1.3356 0.9938 1.1037 -0.0238 -0.0055 0.0350 4 THR E N +16403 C CA . THR E 4 ? 1.4811 1.1383 1.2511 -0.0283 -0.0046 0.0334 4 THR E CA +16404 C C . THR E 4 ? 1.3739 1.0315 1.1456 -0.0349 -0.0022 0.0340 4 THR E C +16405 O O . THR E 4 ? 1.2950 0.9489 1.0631 -0.0360 -0.0007 0.0360 4 THR E O +16406 C CB . THR E 4 ? 1.4693 1.1142 1.2315 -0.0271 -0.0046 0.0330 4 THR E CB +16407 O OG1 . THR E 4 ? 1.6212 1.2636 1.3842 -0.0327 -0.0033 0.0319 4 THR E OG1 +16408 C CG2 . THR E 4 ? 1.8336 1.4670 1.5864 -0.0258 -0.0036 0.0353 4 THR E CG2 +16409 N N . THR E 5 ? 1.3601 1.0220 1.1369 -0.0392 -0.0018 0.0323 5 THR E N +16410 C CA . THR E 5 ? 1.2632 0.9271 1.0429 -0.0456 0.0004 0.0326 5 THR E CA +16411 C C . THR E 5 ? 1.4861 1.1405 1.2614 -0.0500 0.0020 0.0321 5 THR E C +16412 O O . THR E 5 ? 1.4438 1.1002 1.2221 -0.0557 0.0037 0.0320 5 THR E O +16413 C CB . THR E 5 ? 1.2219 0.8989 1.0116 -0.0477 -0.0003 0.0309 5 THR E CB +16414 O OG1 . THR E 5 ? 1.0991 0.7781 0.8908 -0.0457 -0.0022 0.0289 5 THR E OG1 +16415 C CG2 . THR E 5 ? 1.1677 0.8543 0.9621 -0.0454 -0.0010 0.0318 5 THR E CG2 +16416 N N . GLY E 6 ? 1.0977 0.7420 0.8662 -0.0478 0.0014 0.0318 6 GLY E N +16417 C CA . GLY E 6 ? 1.1659 0.7995 0.9289 -0.0518 0.0031 0.0317 6 GLY E CA +16418 C C . GLY E 6 ? 1.3312 0.9647 1.0963 -0.0540 0.0023 0.0292 6 GLY E C +16419 O O . GLY E 6 ? 1.4298 1.0526 1.1888 -0.0556 0.0031 0.0289 6 GLY E O +16420 N N . GLU E 7 ? 1.2582 0.9028 1.0315 -0.0542 0.0009 0.0274 7 GLU E N +16421 C CA . GLU E 7 ? 1.0642 0.7085 0.8390 -0.0557 0.0000 0.0250 7 GLU E CA +16422 C C . GLU E 7 ? 1.1408 0.7779 0.9098 -0.0504 -0.0016 0.0244 7 GLU E C +16423 O O . GLU E 7 ? 1.1589 0.7948 0.9250 -0.0450 -0.0025 0.0256 7 GLU E O +16424 C CB . GLU E 7 ? 1.1958 0.8536 0.9803 -0.0566 -0.0013 0.0233 7 GLU E CB +16425 C CG . GLU E 7 ? 1.0303 0.6962 0.8212 -0.0615 0.0000 0.0236 7 GLU E CG +16426 C CD . GLU E 7 ? 1.1378 0.8115 0.9321 -0.0590 -0.0001 0.0252 7 GLU E CD +16427 O OE1 . GLU E 7 ? 1.0468 0.7184 0.8376 -0.0538 -0.0009 0.0263 7 GLU E OE1 +16428 O OE2 . GLU E 7 ? 1.0031 0.6851 0.8036 -0.0623 0.0007 0.0253 7 GLU E OE2 +16429 N N . ARG E 8 ? 0.9691 0.6015 0.7364 -0.0518 -0.0020 0.0226 8 ARG E N +16430 C CA . ARG E 8 ? 1.0585 0.6835 0.8201 -0.0470 -0.0033 0.0219 8 ARG E CA +16431 C C . ARG E 8 ? 1.1501 0.7847 0.9169 -0.0421 -0.0055 0.0207 8 ARG E C +16432 O O . ARG E 8 ? 1.1596 0.8044 0.9339 -0.0440 -0.0062 0.0194 8 ARG E O +16433 C CB . ARG E 8 ? 1.0795 0.6969 0.8379 -0.0504 -0.0031 0.0200 8 ARG E CB +16434 C CG . ARG E 8 ? 1.0779 0.6869 0.8301 -0.0458 -0.0043 0.0190 8 ARG E CG +16435 C CD . ARG E 8 ? 1.2108 0.8112 0.9593 -0.0499 -0.0038 0.0174 8 ARG E CD +16436 N NE . ARG E 8 ? 1.3532 0.9461 1.0960 -0.0457 -0.0050 0.0162 8 ARG E NE +16437 C CZ . ARG E 8 ? 1.3898 0.9785 1.1311 -0.0476 -0.0054 0.0140 8 ARG E CZ +16438 N NH1 . ARG E 8 ? 1.1964 0.7874 0.9413 -0.0539 -0.0048 0.0127 8 ARG E NH1 +16439 N NH2 . ARG E 8 ? 1.3959 0.9782 1.1322 -0.0430 -0.0065 0.0130 8 ARG E NH2 +16440 N N . PRO E 9 ? 1.1520 0.7839 0.9152 -0.0359 -0.0066 0.0213 9 PRO E N +16441 C CA . PRO E 9 ? 1.0092 0.6503 0.7775 -0.0313 -0.0086 0.0202 9 PRO E CA +16442 C C . PRO E 9 ? 1.2842 0.9284 1.0558 -0.0326 -0.0094 0.0176 9 PRO E C +16443 O O . PRO E 9 ? 1.1064 0.7421 0.8734 -0.0343 -0.0091 0.0165 9 PRO E O +16444 C CB . PRO E 9 ? 1.1153 0.7494 0.8772 -0.0249 -0.0095 0.0209 9 PRO E CB +16445 C CG . PRO E 9 ? 1.2267 0.8515 0.9819 -0.0258 -0.0080 0.0232 9 PRO E CG +16446 C CD . PRO E 9 ? 1.1054 0.7260 0.8598 -0.0327 -0.0062 0.0231 9 PRO E CD +16447 N N . PHE E 10 ? 1.1194 0.7756 0.8988 -0.0318 -0.0105 0.0166 10 PHE E N +16448 C CA . PHE E 10 ? 1.0831 0.7430 0.8657 -0.0325 -0.0114 0.0141 10 PHE E CA +16449 C C . PHE E 10 ? 1.0742 0.7273 0.8516 -0.0280 -0.0124 0.0130 10 PHE E C +16450 O O . PHE E 10 ? 1.1368 0.7861 0.9126 -0.0295 -0.0126 0.0111 10 PHE E O +16451 C CB . PHE E 10 ? 1.1051 0.7789 0.8964 -0.0318 -0.0124 0.0135 10 PHE E CB +16452 C CG . PHE E 10 ? 1.1880 0.8693 0.9854 -0.0370 -0.0117 0.0137 10 PHE E CG +16453 C CD1 . PHE E 10 ? 0.9607 0.6419 0.7597 -0.0422 -0.0114 0.0123 10 PHE E CD1 +16454 C CD2 . PHE E 10 ? 1.1263 0.8150 0.9279 -0.0367 -0.0114 0.0153 10 PHE E CD2 +16455 C CE1 . PHE E 10 ? 1.0386 0.7270 0.8433 -0.0468 -0.0108 0.0125 10 PHE E CE1 +16456 C CE2 . PHE E 10 ? 0.9330 0.6287 0.7401 -0.0413 -0.0107 0.0155 10 PHE E CE2 +16457 C CZ . PHE E 10 ? 1.0285 0.7242 0.8374 -0.0463 -0.0104 0.0141 10 PHE E CZ +16458 N N . SER E 11 ? 0.9890 0.6407 0.7639 -0.0222 -0.0130 0.0139 11 SER E N +16459 C CA . SER E 11 ? 1.2051 0.8507 0.9753 -0.0175 -0.0139 0.0127 11 SER E CA +16460 C C . SER E 11 ? 1.2747 0.9062 1.0362 -0.0189 -0.0131 0.0127 11 SER E C +16461 O O . SER E 11 ? 1.1292 0.7555 0.8874 -0.0173 -0.0136 0.0110 11 SER E O +16462 C CB . SER E 11 ? 1.2084 0.8555 0.9777 -0.0111 -0.0147 0.0138 11 SER E CB +16463 O OG . SER E 11 ? 1.3267 0.9677 1.0913 -0.0107 -0.0140 0.0161 11 SER E OG +16464 N N . ASP E 12 ? 1.1407 0.7659 0.8985 -0.0218 -0.0118 0.0145 12 ASP E N +16465 C CA . ASP E 12 ? 1.1232 0.7352 0.8732 -0.0245 -0.0107 0.0145 12 ASP E CA +16466 C C . ASP E 12 ? 1.0877 0.6999 0.8396 -0.0295 -0.0105 0.0124 12 ASP E C +16467 O O . ASP E 12 ? 1.2390 0.8428 0.9859 -0.0292 -0.0107 0.0110 12 ASP E O +16468 C CB . ASP E 12 ? 1.3258 0.9332 1.0729 -0.0275 -0.0091 0.0169 12 ASP E CB +16469 C CG . ASP E 12 ? 1.4980 1.0907 1.2361 -0.0299 -0.0078 0.0173 12 ASP E CG +16470 O OD1 . ASP E 12 ? 1.4203 1.0074 1.1559 -0.0316 -0.0079 0.0156 12 ASP E OD1 +16471 O OD2 . ASP E 12 ? 1.5522 1.1387 1.2857 -0.0302 -0.0067 0.0195 12 ASP E OD2 +16472 N N . ILE E 13 ? 1.1264 0.7483 0.8858 -0.0340 -0.0103 0.0121 13 ILE E N +16473 C CA . ILE E 13 ? 1.0302 0.6521 0.7914 -0.0395 -0.0101 0.0102 13 ILE E CA +16474 C C . ILE E 13 ? 1.0749 0.6990 0.8373 -0.0373 -0.0115 0.0077 13 ILE E C +16475 O O . ILE E 13 ? 1.0693 0.6861 0.8278 -0.0391 -0.0116 0.0061 13 ILE E O +16476 C CB . ILE E 13 ? 1.1728 0.8051 0.9419 -0.0445 -0.0096 0.0105 13 ILE E CB +16477 C CG1 . ILE E 13 ? 1.1769 0.8063 0.9443 -0.0471 -0.0079 0.0129 13 ILE E CG1 +16478 C CG2 . ILE E 13 ? 1.1641 0.7976 0.9358 -0.0499 -0.0097 0.0084 13 ILE E CG2 +16479 C CD1 . ILE E 13 ? 1.1354 0.7754 0.9107 -0.0515 -0.0073 0.0133 13 ILE E CD1 +16480 N N . ILE E 14 ? 1.1144 0.7483 0.8820 -0.0334 -0.0127 0.0073 14 ILE E N +16481 C CA . ILE E 14 ? 1.3379 0.9755 1.1078 -0.0323 -0.0139 0.0049 14 ILE E CA +16482 C C . ILE E 14 ? 1.3124 0.9415 1.0758 -0.0274 -0.0144 0.0039 14 ILE E C +16483 O O . ILE E 14 ? 1.2203 0.8506 0.9843 -0.0264 -0.0152 0.0018 14 ILE E O +16484 C CB . ILE E 14 ? 1.2918 0.9431 1.0699 -0.0304 -0.0147 0.0046 14 ILE E CB +16485 C CG1 . ILE E 14 ? 1.2596 0.9134 1.0377 -0.0243 -0.0151 0.0059 14 ILE E CG1 +16486 C CG2 . ILE E 14 ? 0.9791 0.6387 0.7636 -0.0354 -0.0143 0.0053 14 ILE E CG2 +16487 C CD1 . ILE E 14 ? 1.1985 0.8636 0.9830 -0.0213 -0.0161 0.0050 14 ILE E CD1 +16488 N N . THR E 15 ? 1.1061 0.7264 0.8631 -0.0243 -0.0140 0.0054 15 THR E N +16489 C CA . THR E 15 ? 1.3023 0.9127 1.0521 -0.0200 -0.0143 0.0045 15 THR E CA +16490 C C . THR E 15 ? 1.1142 0.7109 0.8561 -0.0233 -0.0134 0.0045 15 THR E C +16491 O O . THR E 15 ? 1.2486 0.8353 0.9834 -0.0199 -0.0136 0.0041 15 THR E O +16492 C CB . THR E 15 ? 1.1069 0.7163 0.8543 -0.0135 -0.0147 0.0060 15 THR E CB +16493 O OG1 . THR E 15 ? 1.0738 0.6793 0.8187 -0.0147 -0.0138 0.0085 15 THR E OG1 +16494 C CG2 . THR E 15 ? 1.1933 0.8161 0.9485 -0.0102 -0.0156 0.0058 15 THR E CG2 +16495 N N . SER E 16 ? 1.1866 0.7827 0.9297 -0.0297 -0.0125 0.0048 16 SER E N +16496 C CA . SER E 16 ? 1.0539 0.6375 0.7900 -0.0336 -0.0114 0.0047 16 SER E CA +16497 C C . SER E 16 ? 1.2280 0.8101 0.9643 -0.0370 -0.0119 0.0020 16 SER E C +16498 O O . SER E 16 ? 1.1811 0.7730 0.9245 -0.0399 -0.0125 0.0008 16 SER E O +16499 C CB . SER E 16 ? 1.1447 0.7284 0.8821 -0.0390 -0.0100 0.0066 16 SER E CB +16500 O OG . SER E 16 ? 1.1712 0.7618 0.9148 -0.0449 -0.0099 0.0053 16 SER E OG +16501 N N . VAL E 17 ? 1.2694 0.8388 0.9976 -0.0365 -0.0118 0.0011 17 VAL E N +16502 C CA . VAL E 17 ? 1.2927 0.8596 1.0202 -0.0394 -0.0124 -0.0016 17 VAL E CA +16503 C C . VAL E 17 ? 1.1065 0.6775 0.8387 -0.0471 -0.0119 -0.0022 17 VAL E C +16504 O O . VAL E 17 ? 1.1259 0.7025 0.8622 -0.0494 -0.0129 -0.0043 17 VAL E O +16505 C CB . VAL E 17 ? 1.3289 0.8801 1.0461 -0.0382 -0.0121 -0.0022 17 VAL E CB +16506 C CG1 . VAL E 17 ? 1.1263 0.6740 0.8423 -0.0417 -0.0126 -0.0051 17 VAL E CG1 +16507 C CG2 . VAL E 17 ? 1.2641 0.8123 0.9773 -0.0303 -0.0127 -0.0020 17 VAL E CG2 +16508 N N . ARG E 18 ? 1.0644 0.6329 0.7961 -0.0509 -0.0105 -0.0003 18 ARG E N +16509 C CA . ARG E 18 ? 1.0874 0.6595 0.8235 -0.0583 -0.0099 -0.0008 18 ARG E CA +16510 C C . ARG E 18 ? 1.3199 0.9077 1.0662 -0.0593 -0.0108 -0.0013 18 ARG E C +16511 O O . ARG E 18 ? 1.1476 0.7401 0.8983 -0.0640 -0.0113 -0.0030 18 ARG E O +16512 C CB . ARG E 18 ? 0.9909 0.5576 0.7245 -0.0620 -0.0079 0.0014 18 ARG E CB +16513 C CG . ARG E 18 ? 1.0322 0.6012 0.7698 -0.0699 -0.0071 0.0007 18 ARG E CG +16514 C CD . ARG E 18 ? 1.1721 0.7367 0.9077 -0.0734 -0.0049 0.0030 18 ARG E CD +16515 N NE . ARG E 18 ? 1.2610 0.8340 1.0009 -0.0711 -0.0045 0.0053 18 ARG E NE +16516 C CZ . ARG E 18 ? 1.5541 1.1243 1.2923 -0.0727 -0.0026 0.0077 18 ARG E CZ +16517 N NH1 . ARG E 18 ? 1.4594 1.0180 1.1913 -0.0765 -0.0008 0.0083 18 ARG E NH1 +16518 N NH2 . ARG E 18 ? 1.1478 0.7266 0.8905 -0.0706 -0.0024 0.0096 18 ARG E NH2 +16519 N N . TYR E 19 ? 1.0302 0.6261 0.7802 -0.0549 -0.0111 0.0002 19 TYR E N +16520 C CA . TYR E 19 ? 1.1172 0.7276 0.8766 -0.0554 -0.0120 -0.0003 19 TYR E CA +16521 C C . TYR E 19 ? 1.1947 0.8084 0.9558 -0.0547 -0.0136 -0.0030 19 TYR E C +16522 O O . TYR E 19 ? 1.1180 0.7388 0.8847 -0.0586 -0.0142 -0.0044 19 TYR E O +16523 C CB . TYR E 19 ? 1.0232 0.6408 0.7855 -0.0502 -0.0121 0.0016 19 TYR E CB +16524 C CG . TYR E 19 ? 1.1772 0.8091 0.9485 -0.0500 -0.0131 0.0010 19 TYR E CG +16525 C CD1 . TYR E 19 ? 1.0867 0.7272 0.8645 -0.0540 -0.0126 0.0018 19 TYR E CD1 +16526 C CD2 . TYR E 19 ? 1.0952 0.7319 0.8682 -0.0459 -0.0145 -0.0005 19 TYR E CD2 +16527 C CE1 . TYR E 19 ? 1.0816 0.7346 0.8672 -0.0538 -0.0135 0.0012 19 TYR E CE1 +16528 C CE2 . TYR E 19 ? 1.1319 0.7810 0.9126 -0.0458 -0.0153 -0.0011 19 TYR E CE2 +16529 C CZ . TYR E 19 ? 1.2464 0.9036 1.0333 -0.0497 -0.0149 -0.0002 19 TYR E CZ +16530 O OH . TYR E 19 ? 1.0293 0.6984 0.8235 -0.0495 -0.0158 -0.0007 19 TYR E OH +16531 N N . TRP E 20 ? 1.0826 0.6906 0.8387 -0.0497 -0.0142 -0.0039 20 TRP E N +16532 C CA . TRP E 20 ? 1.2176 0.8285 0.9748 -0.0483 -0.0156 -0.0064 20 TRP E CA +16533 C C . TRP E 20 ? 1.3325 0.9369 1.0868 -0.0531 -0.0159 -0.0086 20 TRP E C +16534 O O . TRP E 20 ? 1.1644 0.7738 0.9217 -0.0540 -0.0171 -0.0108 20 TRP E O +16535 C CB . TRP E 20 ? 1.0895 0.6969 0.8426 -0.0413 -0.0161 -0.0066 20 TRP E CB +16536 C CG . TRP E 20 ? 1.2885 0.9060 1.0468 -0.0369 -0.0163 -0.0053 20 TRP E CG +16537 C CD1 . TRP E 20 ? 1.1623 0.7783 0.9187 -0.0324 -0.0158 -0.0033 20 TRP E CD1 +16538 C CD2 . TRP E 20 ? 1.2785 0.9092 1.0449 -0.0368 -0.0170 -0.0058 20 TRP E CD2 +16539 N NE1 . TRP E 20 ? 1.2962 0.9238 1.0591 -0.0296 -0.0163 -0.0026 20 TRP E NE1 +16540 C CE2 . TRP E 20 ? 1.4390 1.0756 1.2080 -0.0323 -0.0169 -0.0041 20 TRP E CE2 +16541 C CE3 . TRP E 20 ? 1.2529 0.8907 1.0242 -0.0401 -0.0179 -0.0076 20 TRP E CE3 +16542 C CZ2 . TRP E 20 ? 1.2090 0.8582 0.9855 -0.0311 -0.0175 -0.0041 20 TRP E CZ2 +16543 C CZ3 . TRP E 20 ? 1.3394 0.9896 1.1179 -0.0388 -0.0185 -0.0075 20 TRP E CZ3 +16544 C CH2 . TRP E 20 ? 1.5478 1.2035 1.3289 -0.0344 -0.0182 -0.0058 20 TRP E CH2 +16545 N N . VAL E 21 ? 1.1002 0.6934 0.8486 -0.0562 -0.0149 -0.0082 21 VAL E N +16546 C CA . VAL E 21 ? 1.2379 0.8258 0.9844 -0.0616 -0.0152 -0.0103 21 VAL E CA +16547 C C . VAL E 21 ? 1.0984 0.6969 0.8531 -0.0671 -0.0156 -0.0110 21 VAL E C +16548 O O . VAL E 21 ? 1.1236 0.7252 0.8806 -0.0694 -0.0169 -0.0133 21 VAL E O +16549 C CB . VAL E 21 ? 1.3017 0.8758 1.0405 -0.0643 -0.0138 -0.0096 21 VAL E CB +16550 C CG1 . VAL E 21 ? 1.1587 0.7293 0.8973 -0.0711 -0.0140 -0.0117 21 VAL E CG1 +16551 C CG2 . VAL E 21 ? 1.0714 0.6340 0.8014 -0.0589 -0.0137 -0.0097 21 VAL E CG2 +16552 N N . ILE E 22 ? 1.1477 0.7521 0.9069 -0.0689 -0.0146 -0.0089 22 ILE E N +16553 C CA . ILE E 22 ? 1.2217 0.8363 0.9889 -0.0740 -0.0148 -0.0093 22 ILE E CA +16554 C C . ILE E 22 ? 1.1052 0.7321 0.8791 -0.0717 -0.0165 -0.0104 22 ILE E C +16555 O O . ILE E 22 ? 1.0480 0.6802 0.8259 -0.0749 -0.0177 -0.0123 22 ILE E O +16556 C CB . ILE E 22 ? 1.3760 0.9935 1.1460 -0.0761 -0.0132 -0.0067 22 ILE E CB +16557 C CG1 . ILE E 22 ? 1.1255 0.7305 0.8888 -0.0793 -0.0114 -0.0058 22 ILE E CG1 +16558 C CG2 . ILE E 22 ? 1.1470 0.7767 0.9261 -0.0806 -0.0135 -0.0071 22 ILE E CG2 +16559 C CD1 . ILE E 22 ? 1.1946 0.8006 0.9592 -0.0810 -0.0095 -0.0031 22 ILE E CD1 +16560 N N . HIS E 23 ? 1.0641 0.6956 0.8391 -0.0659 -0.0166 -0.0091 23 HIS E N +16561 C CA . HIS E 23 ? 1.2585 0.9026 1.0405 -0.0640 -0.0178 -0.0097 23 HIS E CA +16562 C C . HIS E 23 ? 1.1687 0.8128 0.9492 -0.0609 -0.0192 -0.0119 23 HIS E C +16563 O O . HIS E 23 ? 1.1600 0.8139 0.9459 -0.0600 -0.0203 -0.0127 23 HIS E O +16564 C CB . HIS E 23 ? 1.0343 0.6847 0.8193 -0.0599 -0.0172 -0.0073 23 HIS E CB +16565 C CG . HIS E 23 ? 1.0059 0.6593 0.7941 -0.0632 -0.0159 -0.0052 23 HIS E CG +16566 N ND1 . HIS E 23 ? 0.9895 0.6345 0.7730 -0.0639 -0.0144 -0.0034 23 HIS E ND1 +16567 C CD2 . HIS E 23 ? 1.1195 0.7831 0.9151 -0.0662 -0.0159 -0.0048 23 HIS E CD2 +16568 C CE1 . HIS E 23 ? 1.1494 0.7995 0.9372 -0.0672 -0.0134 -0.0020 23 HIS E CE1 +16569 N NE2 . HIS E 23 ? 1.0064 0.6679 0.8017 -0.0686 -0.0143 -0.0028 23 HIS E NE2 +16570 N N . SER E 24 ? 1.1927 0.8259 0.9657 -0.0592 -0.0192 -0.0130 24 SER E N +16571 C CA . SER E 24 ? 1.0460 0.6784 0.8172 -0.0573 -0.0206 -0.0154 24 SER E CA +16572 C C . SER E 24 ? 0.9457 0.5805 0.7194 -0.0627 -0.0217 -0.0177 24 SER E C +16573 O O . SER E 24 ? 1.0635 0.7002 0.8372 -0.0616 -0.0230 -0.0197 24 SER E O +16574 C CB . SER E 24 ? 1.1391 0.7586 0.9014 -0.0545 -0.0203 -0.0161 24 SER E CB +16575 O OG . SER E 24 ? 1.3281 0.9381 1.0861 -0.0593 -0.0198 -0.0165 24 SER E OG +16576 N N . ILE E 25 ? 1.1670 0.8018 0.9429 -0.0685 -0.0213 -0.0173 25 ILE E N +16577 C CA . ILE E 25 ? 1.1246 0.7630 0.9040 -0.0740 -0.0224 -0.0193 25 ILE E CA +16578 C C . ILE E 25 ? 1.2169 0.8686 1.0053 -0.0760 -0.0228 -0.0186 25 ILE E C +16579 O O . ILE E 25 ? 1.0731 0.7321 0.8657 -0.0770 -0.0243 -0.0202 25 ILE E O +16580 C CB . ILE E 25 ? 1.2269 0.8558 1.0025 -0.0794 -0.0217 -0.0197 25 ILE E CB +16581 C CG1 . ILE E 25 ? 1.4162 1.0315 1.1825 -0.0774 -0.0215 -0.0207 25 ILE E CG1 +16582 C CG2 . ILE E 25 ? 1.1621 0.7957 0.9421 -0.0854 -0.0230 -0.0218 25 ILE E CG2 +16583 C CD1 . ILE E 25 ? 1.2286 0.8429 0.9924 -0.0749 -0.0232 -0.0232 25 ILE E CD1 +16584 N N . THR E 26 ? 0.9814 0.6361 0.7727 -0.0766 -0.0214 -0.0161 26 THR E N +16585 C CA . THR E 26 ? 1.1544 0.8208 0.9540 -0.0793 -0.0215 -0.0155 26 THR E CA +16586 C C . THR E 26 ? 1.0840 0.7608 0.8883 -0.0752 -0.0226 -0.0154 26 THR E C +16587 O O . THR E 26 ? 1.0223 0.7084 0.8328 -0.0774 -0.0236 -0.0161 26 THR E O +16588 C CB . THR E 26 ? 1.1022 0.7691 0.9034 -0.0806 -0.0196 -0.0128 26 THR E CB +16589 O OG1 . THR E 26 ? 1.0406 0.7050 0.8387 -0.0752 -0.0187 -0.0108 26 THR E OG1 +16590 C CG2 . THR E 26 ? 1.0573 0.7151 0.8548 -0.0856 -0.0185 -0.0129 26 THR E CG2 +16591 N N . ILE E 27 ? 0.9529 0.6282 0.7544 -0.0695 -0.0223 -0.0147 27 ILE E N +16592 C CA . ILE E 27 ? 1.0367 0.7213 0.8423 -0.0655 -0.0231 -0.0146 27 ILE E CA +16593 C C . ILE E 27 ? 0.9931 0.6797 0.7989 -0.0657 -0.0248 -0.0172 27 ILE E C +16594 O O . ILE E 27 ? 1.0836 0.7796 0.8951 -0.0669 -0.0258 -0.0178 27 ILE E O +16595 C CB . ILE E 27 ? 1.0233 0.7057 0.8259 -0.0594 -0.0223 -0.0131 27 ILE E CB +16596 C CG1 . ILE E 27 ? 1.0794 0.7623 0.8832 -0.0593 -0.0208 -0.0104 27 ILE E CG1 +16597 C CG2 . ILE E 27 ? 0.9813 0.6721 0.7874 -0.0554 -0.0231 -0.0136 27 ILE E CG2 +16598 C CD1 . ILE E 27 ? 1.0112 0.6904 0.8114 -0.0537 -0.0200 -0.0089 27 ILE E CD1 +16599 N N . PRO E 28 ? 1.0725 0.7505 0.8720 -0.0646 -0.0253 -0.0190 28 PRO E N +16600 C CA . PRO E 28 ? 0.9908 0.6709 0.7905 -0.0651 -0.0270 -0.0216 28 PRO E CA +16601 C C . PRO E 28 ? 1.0219 0.7058 0.8255 -0.0709 -0.0282 -0.0229 28 PRO E C +16602 O O . PRO E 28 ? 1.0915 0.7825 0.8986 -0.0713 -0.0297 -0.0243 28 PRO E O +16603 C CB . PRO E 28 ? 1.1036 0.7719 0.8951 -0.0634 -0.0271 -0.0231 28 PRO E CB +16604 C CG . PRO E 28 ? 1.0889 0.7511 0.8766 -0.0602 -0.0254 -0.0210 28 PRO E CG +16605 C CD . PRO E 28 ? 1.0489 0.7148 0.8408 -0.0628 -0.0244 -0.0188 28 PRO E CD +16606 N N . ALA E 29 ? 0.9485 0.6282 0.7517 -0.0755 -0.0276 -0.0226 29 ALA E N +16607 C CA . ALA E 29 ? 1.0852 0.7691 0.8927 -0.0813 -0.0287 -0.0239 29 ALA E CA +16608 C C . ALA E 29 ? 1.0977 0.7946 0.9135 -0.0817 -0.0291 -0.0231 29 ALA E C +16609 O O . ALA E 29 ? 1.0468 0.7497 0.8663 -0.0840 -0.0308 -0.0248 29 ALA E O +16610 C CB . ALA E 29 ? 1.0406 0.7180 0.8467 -0.0861 -0.0275 -0.0234 29 ALA E CB +16611 N N . LEU E 30 ? 1.0078 0.7090 0.8264 -0.0795 -0.0277 -0.0206 30 LEU E N +16612 C CA . LEU E 30 ? 0.9462 0.6594 0.7723 -0.0796 -0.0281 -0.0197 30 LEU E CA +16613 C C . LEU E 30 ? 1.0124 0.7315 0.8398 -0.0759 -0.0295 -0.0206 30 LEU E C +16614 O O . LEU E 30 ? 0.9091 0.6365 0.7415 -0.0773 -0.0308 -0.0214 30 LEU E O +16615 C CB . LEU E 30 ? 0.9752 0.6908 0.8033 -0.0780 -0.0263 -0.0168 30 LEU E CB +16616 C CG . LEU E 30 ? 0.9899 0.7035 0.8192 -0.0825 -0.0249 -0.0156 30 LEU E CG +16617 C CD1 . LEU E 30 ? 0.9801 0.6934 0.8091 -0.0799 -0.0230 -0.0127 30 LEU E CD1 +16618 C CD2 . LEU E 30 ? 0.9762 0.6987 0.8126 -0.0870 -0.0256 -0.0162 30 LEU E CD2 +16619 N N . PHE E 31 ? 0.8397 0.5545 0.6624 -0.0710 -0.0291 -0.0205 31 PHE E N +16620 C CA . PHE E 31 ? 0.8298 0.5494 0.6531 -0.0674 -0.0301 -0.0215 31 PHE E CA +16621 C C . PHE E 31 ? 0.9068 0.6270 0.7299 -0.0699 -0.0322 -0.0242 31 PHE E C +16622 O O . PHE E 31 ? 1.0001 0.7284 0.8272 -0.0696 -0.0334 -0.0248 31 PHE E O +16623 C CB . PHE E 31 ? 0.9214 0.6346 0.7390 -0.0623 -0.0293 -0.0213 31 PHE E CB +16624 C CG . PHE E 31 ? 0.9267 0.6449 0.7450 -0.0580 -0.0298 -0.0218 31 PHE E CG +16625 C CD1 . PHE E 31 ? 0.8548 0.5796 0.6765 -0.0546 -0.0289 -0.0199 31 PHE E CD1 +16626 C CD2 . PHE E 31 ? 0.8743 0.5901 0.6893 -0.0573 -0.0310 -0.0241 31 PHE E CD2 +16627 C CE1 . PHE E 31 ? 0.9497 0.6789 0.7720 -0.0507 -0.0291 -0.0204 31 PHE E CE1 +16628 C CE2 . PHE E 31 ? 0.9702 0.6903 0.7855 -0.0533 -0.0312 -0.0245 31 PHE E CE2 +16629 C CZ . PHE E 31 ? 0.9342 0.6610 0.7532 -0.0501 -0.0302 -0.0226 31 PHE E CZ +16630 N N . ILE E 32 ? 0.9787 0.6902 0.7969 -0.0722 -0.0326 -0.0258 32 ILE E N +16631 C CA . ILE E 32 ? 0.8873 0.5984 0.7047 -0.0746 -0.0347 -0.0286 32 ILE E CA +16632 C C . ILE E 32 ? 0.8706 0.5897 0.6945 -0.0792 -0.0359 -0.0290 32 ILE E C +16633 O O . ILE E 32 ? 0.8837 0.6076 0.7095 -0.0800 -0.0378 -0.0307 32 ILE E O +16634 C CB . ILE E 32 ? 1.1128 0.8122 0.9234 -0.0764 -0.0347 -0.0302 32 ILE E CB +16635 C CG1 . ILE E 32 ? 1.0692 0.7615 0.8732 -0.0712 -0.0340 -0.0303 32 ILE E CG1 +16636 C CG2 . ILE E 32 ? 1.0634 0.7624 0.8738 -0.0804 -0.0369 -0.0330 32 ILE E CG2 +16637 C CD1 . ILE E 32 ? 1.1912 0.8711 0.9883 -0.0719 -0.0332 -0.0307 32 ILE E CD1 +16638 N N . ALA E 33 ? 0.8117 0.5323 0.6390 -0.0824 -0.0348 -0.0275 33 ALA E N +16639 C CA . ALA E 33 ? 0.9299 0.6588 0.7640 -0.0865 -0.0357 -0.0278 33 ALA E CA +16640 C C . ALA E 33 ? 1.0532 0.7929 0.8926 -0.0839 -0.0363 -0.0270 33 ALA E C +16641 O O . ALA E 33 ? 0.9503 0.6968 0.7938 -0.0859 -0.0381 -0.0283 33 ALA E O +16642 C CB . ALA E 33 ? 0.8441 0.5723 0.6806 -0.0898 -0.0340 -0.0261 33 ALA E CB +16643 N N . GLY E 34 ? 0.8917 0.6329 0.7309 -0.0794 -0.0349 -0.0250 34 GLY E N +16644 C CA . GLY E 34 ? 0.8486 0.5994 0.6922 -0.0768 -0.0354 -0.0243 34 GLY E CA +16645 C C . GLY E 34 ? 0.8433 0.5951 0.6850 -0.0747 -0.0371 -0.0262 34 GLY E C +16646 O O . GLY E 34 ? 0.8365 0.5959 0.6821 -0.0751 -0.0385 -0.0268 34 GLY E O +16647 N N . TRP E 35 ? 0.8692 0.6131 0.7044 -0.0724 -0.0370 -0.0272 35 TRP E N +16648 C CA . TRP E 35 ? 0.8895 0.6333 0.7220 -0.0705 -0.0386 -0.0292 35 TRP E CA +16649 C C . TRP E 35 ? 0.9346 0.6809 0.7689 -0.0746 -0.0410 -0.0315 35 TRP E C +16650 O O . TRP E 35 ? 0.9422 0.6950 0.7789 -0.0738 -0.0424 -0.0322 35 TRP E O +16651 C CB . TRP E 35 ? 0.9035 0.6372 0.7285 -0.0681 -0.0380 -0.0302 35 TRP E CB +16652 C CG . TRP E 35 ? 0.8545 0.5876 0.6761 -0.0653 -0.0390 -0.0319 35 TRP E CG +16653 C CD1 . TRP E 35 ? 0.8955 0.6284 0.7158 -0.0672 -0.0412 -0.0344 35 TRP E CD1 +16654 C CD2 . TRP E 35 ? 0.9172 0.6494 0.7358 -0.0601 -0.0380 -0.0315 35 TRP E CD2 +16655 N NE1 . TRP E 35 ? 0.9720 0.7040 0.7885 -0.0635 -0.0414 -0.0354 35 TRP E NE1 +16656 C CE2 . TRP E 35 ? 0.9293 0.6608 0.7449 -0.0591 -0.0394 -0.0336 35 TRP E CE2 +16657 C CE3 . TRP E 35 ? 0.8109 0.5430 0.6293 -0.0561 -0.0359 -0.0295 35 TRP E CE3 +16658 C CZ2 . TRP E 35 ? 0.9950 0.7257 0.8073 -0.0544 -0.0386 -0.0338 35 TRP E CZ2 +16659 C CZ3 . TRP E 35 ? 0.8624 0.5941 0.6780 -0.0515 -0.0353 -0.0297 35 TRP E CZ3 +16660 C CH2 . TRP E 35 ? 0.8962 0.6271 0.7087 -0.0507 -0.0365 -0.0319 35 TRP E CH2 +16661 N N . LEU E 36 ? 0.9577 0.6992 0.7911 -0.0789 -0.0414 -0.0326 36 LEU E N +16662 C CA . LEU E 36 ? 0.8817 0.6252 0.7169 -0.0830 -0.0438 -0.0349 36 LEU E CA +16663 C C . LEU E 36 ? 0.9249 0.6793 0.7678 -0.0850 -0.0447 -0.0344 36 LEU E C +16664 O O . LEU E 36 ? 0.8803 0.6390 0.7250 -0.0864 -0.0470 -0.0362 36 LEU E O +16665 C CB . LEU E 36 ? 1.0759 0.8118 0.9088 -0.0875 -0.0437 -0.0360 36 LEU E CB +16666 C CG . LEU E 36 ? 1.0870 0.8113 0.9118 -0.0864 -0.0433 -0.0372 36 LEU E CG +16667 C CD1 . LEU E 36 ? 1.2180 0.9351 1.0412 -0.0908 -0.0426 -0.0374 36 LEU E CD1 +16668 C CD2 . LEU E 36 ? 0.9662 0.6884 0.7872 -0.0857 -0.0456 -0.0400 36 LEU E CD2 +16669 N N . PHE E 37 ? 0.8775 0.6363 0.7248 -0.0850 -0.0430 -0.0319 37 PHE E N +16670 C CA . PHE E 37 ? 1.0265 0.7958 0.8811 -0.0863 -0.0436 -0.0312 37 PHE E CA +16671 C C . PHE E 37 ? 0.9671 0.7425 0.8226 -0.0830 -0.0450 -0.0316 37 PHE E C +16672 O O . PHE E 37 ? 0.8137 0.5963 0.6735 -0.0845 -0.0468 -0.0325 37 PHE E O +16673 C CB . PHE E 37 ? 0.9059 0.6779 0.7639 -0.0858 -0.0412 -0.0284 37 PHE E CB +16674 C CG . PHE E 37 ? 0.9695 0.7517 0.8350 -0.0874 -0.0416 -0.0275 37 PHE E CG +16675 C CD1 . PHE E 37 ? 0.8940 0.6796 0.7636 -0.0921 -0.0428 -0.0288 37 PHE E CD1 +16676 C CD2 . PHE E 37 ? 0.9416 0.7299 0.8100 -0.0842 -0.0406 -0.0254 37 PHE E CD2 +16677 C CE1 . PHE E 37 ? 0.8914 0.6865 0.7680 -0.0933 -0.0431 -0.0281 37 PHE E CE1 +16678 C CE2 . PHE E 37 ? 0.8317 0.6290 0.7067 -0.0855 -0.0409 -0.0247 37 PHE E CE2 +16679 C CZ . PHE E 37 ? 0.8479 0.6487 0.7270 -0.0900 -0.0421 -0.0260 37 PHE E CZ +16680 N N . VAL E 38 ? 0.8532 0.6258 0.7045 -0.0785 -0.0442 -0.0311 38 VAL E N +16681 C CA . VAL E 38 ? 0.8314 0.6083 0.6823 -0.0753 -0.0453 -0.0316 38 VAL E CA +16682 C C . VAL E 38 ? 0.9495 0.7222 0.7958 -0.0757 -0.0475 -0.0344 38 VAL E C +16683 O O . VAL E 38 ? 0.9601 0.7377 0.8080 -0.0761 -0.0496 -0.0357 38 VAL E O +16684 C CB . VAL E 38 ? 0.8623 0.6386 0.7113 -0.0703 -0.0433 -0.0298 38 VAL E CB +16685 C CG1 . VAL E 38 ? 0.8646 0.6433 0.7116 -0.0669 -0.0442 -0.0306 38 VAL E CG1 +16686 C CG2 . VAL E 38 ? 0.8383 0.6205 0.6924 -0.0698 -0.0417 -0.0272 38 VAL E CG2 +16687 N N . SER E 39 ? 0.9577 0.7210 0.7980 -0.0755 -0.0470 -0.0355 39 SER E N +16688 C CA . SER E 39 ? 1.0686 0.8276 0.9037 -0.0751 -0.0489 -0.0381 39 SER E CA +16689 C C . SER E 39 ? 0.8895 0.6504 0.7266 -0.0796 -0.0516 -0.0404 39 SER E C +16690 O O . SER E 39 ? 0.8840 0.6453 0.7189 -0.0791 -0.0537 -0.0424 39 SER E O +16691 C CB . SER E 39 ? 0.8259 0.5741 0.6539 -0.0740 -0.0478 -0.0388 39 SER E CB +16692 O OG . SER E 39 ? 1.1174 0.8607 0.9455 -0.0775 -0.0471 -0.0386 39 SER E OG +16693 N N . THR E 40 ? 0.9163 0.6785 0.7575 -0.0839 -0.0516 -0.0402 40 THR E N +16694 C CA . THR E 40 ? 0.8397 0.6053 0.6839 -0.0880 -0.0543 -0.0424 40 THR E CA +16695 C C . THR E 40 ? 1.0872 0.8634 0.9373 -0.0877 -0.0558 -0.0421 40 THR E C +16696 O O . THR E 40 ? 0.9591 0.7390 0.8120 -0.0909 -0.0582 -0.0439 40 THR E O +16697 C CB . THR E 40 ? 1.1437 0.9077 0.9908 -0.0930 -0.0537 -0.0424 40 THR E CB +16698 O OG1 . THR E 40 ? 0.9736 0.7434 0.8263 -0.0931 -0.0518 -0.0397 40 THR E OG1 +16699 C CG2 . THR E 40 ? 0.9860 0.7387 0.8268 -0.0935 -0.0524 -0.0427 40 THR E CG2 +16700 N N . GLY E 41 ? 0.9679 0.7491 0.8199 -0.0841 -0.0544 -0.0399 41 GLY E N +16701 C CA . GLY E 41 ? 0.8169 0.6079 0.6746 -0.0838 -0.0555 -0.0393 41 GLY E CA +16702 C C . GLY E 41 ? 0.8394 0.6366 0.7043 -0.0872 -0.0551 -0.0383 41 GLY E C +16703 O O . GLY E 41 ? 0.8640 0.6696 0.7341 -0.0873 -0.0563 -0.0380 41 GLY E O +16704 N N . LEU E 42 ? 0.9726 0.7657 0.8380 -0.0898 -0.0534 -0.0376 42 LEU E N +16705 C CA . LEU E 42 ? 0.9643 0.7631 0.8364 -0.0932 -0.0529 -0.0367 42 LEU E CA +16706 C C . LEU E 42 ? 0.9568 0.7624 0.8332 -0.0907 -0.0513 -0.0340 42 LEU E C +16707 O O . LEU E 42 ? 0.8605 0.6737 0.7432 -0.0926 -0.0516 -0.0336 42 LEU E O +16708 C CB . LEU E 42 ? 0.9273 0.7192 0.7980 -0.0965 -0.0512 -0.0365 42 LEU E CB +16709 C CG . LEU E 42 ? 1.1544 0.9506 1.0314 -0.1007 -0.0503 -0.0358 42 LEU E CG +16710 C CD1 . LEU E 42 ? 0.8877 0.6910 0.7699 -0.1040 -0.0530 -0.0379 42 LEU E CD1 +16711 C CD2 . LEU E 42 ? 0.9295 0.7171 0.8036 -0.1037 -0.0486 -0.0357 42 LEU E CD2 +16712 N N . ALA E 43 ? 0.8640 0.6672 0.7372 -0.0865 -0.0495 -0.0322 43 ALA E N +16713 C CA . ALA E 43 ? 0.8624 0.6716 0.7395 -0.0842 -0.0478 -0.0297 43 ALA E CA +16714 C C . ALA E 43 ? 0.7853 0.6035 0.6665 -0.0832 -0.0496 -0.0299 43 ALA E C +16715 O O . ALA E 43 ? 0.8851 0.7101 0.7718 -0.0837 -0.0491 -0.0285 43 ALA E O +16716 C CB . ALA E 43 ? 0.8096 0.6144 0.6822 -0.0798 -0.0459 -0.0281 43 ALA E CB +16717 N N . TYR E 44 ? 0.8090 0.6269 0.6873 -0.0816 -0.0516 -0.0316 44 TYR E N +16718 C CA . TYR E 44 ? 0.7422 0.5678 0.6237 -0.0808 -0.0536 -0.0321 44 TYR E CA +16719 C C . TYR E 44 ? 0.9207 0.7528 0.8087 -0.0846 -0.0549 -0.0327 44 TYR E C +16720 O O . TYR E 44 ? 0.8683 0.7081 0.7612 -0.0840 -0.0551 -0.0317 44 TYR E O +16721 C CB . TYR E 44 ? 0.7469 0.5699 0.6236 -0.0796 -0.0559 -0.0343 44 TYR E CB +16722 C CG . TYR E 44 ? 0.8357 0.6537 0.7064 -0.0754 -0.0548 -0.0338 44 TYR E CG +16723 C CD1 . TYR E 44 ? 0.8017 0.6237 0.6730 -0.0717 -0.0538 -0.0321 44 TYR E CD1 +16724 C CD2 . TYR E 44 ? 0.8636 0.6731 0.7281 -0.0751 -0.0546 -0.0351 44 TYR E CD2 +16725 C CE1 . TYR E 44 ? 0.7487 0.5665 0.6148 -0.0680 -0.0526 -0.0317 44 TYR E CE1 +16726 C CE2 . TYR E 44 ? 0.8511 0.6564 0.7103 -0.0712 -0.0535 -0.0347 44 TYR E CE2 +16727 C CZ . TYR E 44 ? 0.7700 0.5797 0.6303 -0.0677 -0.0524 -0.0330 44 TYR E CZ +16728 O OH . TYR E 44 ? 0.8320 0.6379 0.6874 -0.0640 -0.0511 -0.0327 44 TYR E OH +16729 N N . ASP E 45 ? 0.8411 0.6703 0.7293 -0.0886 -0.0558 -0.0345 45 ASP E N +16730 C CA . ASP E 45 ? 0.7765 0.6123 0.6709 -0.0923 -0.0575 -0.0356 45 ASP E CA +16731 C C . ASP E 45 ? 0.7947 0.6339 0.6945 -0.0944 -0.0552 -0.0337 45 ASP E C +16732 O O . ASP E 45 ? 0.8352 0.6824 0.7412 -0.0958 -0.0560 -0.0337 45 ASP E O +16733 C CB . ASP E 45 ? 0.8969 0.7287 0.7897 -0.0959 -0.0595 -0.0385 45 ASP E CB +16734 C CG . ASP E 45 ? 1.0054 0.8342 0.8927 -0.0939 -0.0620 -0.0405 45 ASP E CG +16735 O OD1 . ASP E 45 ? 1.0284 0.8622 0.9163 -0.0911 -0.0634 -0.0405 45 ASP E OD1 +16736 O OD2 . ASP E 45 ? 1.0180 0.8391 0.9002 -0.0950 -0.0623 -0.0420 45 ASP E OD2 +16737 N N . VAL E 46 ? 0.8540 0.6873 0.7514 -0.0944 -0.0525 -0.0321 46 VAL E N +16738 C CA . VAL E 46 ? 0.8324 0.6685 0.7343 -0.0960 -0.0502 -0.0301 46 VAL E CA +16739 C C . VAL E 46 ? 0.9276 0.7712 0.8331 -0.0930 -0.0496 -0.0282 46 VAL E C +16740 O O . VAL E 46 ? 0.8054 0.6560 0.7170 -0.0946 -0.0494 -0.0276 46 VAL E O +16741 C CB . VAL E 46 ? 1.0214 0.8491 0.9191 -0.0960 -0.0474 -0.0287 46 VAL E CB +16742 C CG1 . VAL E 46 ? 0.9338 0.7643 0.8354 -0.0967 -0.0448 -0.0263 46 VAL E CG1 +16743 C CG2 . VAL E 46 ? 0.9843 0.8049 0.8791 -0.0997 -0.0479 -0.0306 46 VAL E CG2 +16744 N N . PHE E 47 ? 0.7496 0.5919 0.6516 -0.0886 -0.0492 -0.0272 47 PHE E N +16745 C CA . PHE E 47 ? 0.8994 0.7475 0.8042 -0.0856 -0.0482 -0.0251 47 PHE E CA +16746 C C . PHE E 47 ? 0.8700 0.7247 0.7768 -0.0838 -0.0504 -0.0258 47 PHE E C +16747 O O . PHE E 47 ? 0.8250 0.6856 0.7351 -0.0820 -0.0498 -0.0242 47 PHE E O +16748 C CB . PHE E 47 ? 0.7546 0.5977 0.6549 -0.0820 -0.0460 -0.0232 47 PHE E CB +16749 C CG . PHE E 47 ? 0.8093 0.6467 0.7082 -0.0833 -0.0436 -0.0220 47 PHE E CG +16750 C CD1 . PHE E 47 ? 0.7311 0.5718 0.6341 -0.0844 -0.0418 -0.0202 47 PHE E CD1 +16751 C CD2 . PHE E 47 ? 0.8184 0.6470 0.7116 -0.0833 -0.0432 -0.0227 47 PHE E CD2 +16752 C CE1 . PHE E 47 ? 0.7755 0.6106 0.6767 -0.0856 -0.0397 -0.0190 47 PHE E CE1 +16753 C CE2 . PHE E 47 ? 0.6928 0.5157 0.5842 -0.0844 -0.0411 -0.0216 47 PHE E CE2 +16754 C CZ . PHE E 47 ? 0.7199 0.5459 0.6151 -0.0855 -0.0393 -0.0197 47 PHE E CZ +16755 N N . GLY E 48 ? 0.7698 0.6236 0.6745 -0.0842 -0.0530 -0.0281 48 GLY E N +16756 C CA . GLY E 48 ? 0.7235 0.5832 0.6296 -0.0825 -0.0553 -0.0289 48 GLY E CA +16757 C C . GLY E 48 ? 0.9123 0.7705 0.8140 -0.0780 -0.0550 -0.0281 48 GLY E C +16758 O O . GLY E 48 ? 0.7155 0.5791 0.6188 -0.0759 -0.0560 -0.0278 48 GLY E O +16759 N N . THR E 49 ? 0.7530 0.6040 0.6492 -0.0764 -0.0537 -0.0278 49 THR E N +16760 C CA . THR E 49 ? 0.7691 0.6183 0.6612 -0.0722 -0.0529 -0.0270 49 THR E CA +16761 C C . THR E 49 ? 0.8456 0.6925 0.7331 -0.0711 -0.0552 -0.0291 49 THR E C +16762 O O . THR E 49 ? 0.9183 0.7604 0.8030 -0.0730 -0.0564 -0.0310 49 THR E O +16763 C CB . THR E 49 ? 0.7557 0.5985 0.6443 -0.0709 -0.0503 -0.0257 49 THR E CB +16764 O OG1 . THR E 49 ? 0.8529 0.6983 0.7455 -0.0714 -0.0482 -0.0235 49 THR E OG1 +16765 C CG2 . THR E 49 ? 0.6804 0.5209 0.5644 -0.0667 -0.0495 -0.0251 49 THR E CG2 +16766 N N . PRO E 50 ? 0.8931 0.7428 0.7795 -0.0680 -0.0558 -0.0287 50 PRO E N +16767 C CA . PRO E 50 ? 0.7941 0.6412 0.6755 -0.0667 -0.0579 -0.0306 50 PRO E CA +16768 C C . PRO E 50 ? 0.8739 0.7127 0.7489 -0.0655 -0.0568 -0.0313 50 PRO E C +16769 O O . PRO E 50 ? 0.7941 0.6299 0.6676 -0.0638 -0.0542 -0.0297 50 PRO E O +16770 C CB . PRO E 50 ? 0.7160 0.5674 0.5974 -0.0634 -0.0579 -0.0295 50 PRO E CB +16771 C CG . PRO E 50 ? 0.6634 0.5214 0.5512 -0.0638 -0.0567 -0.0275 50 PRO E CG +16772 C CD . PRO E 50 ? 0.7587 0.6142 0.6483 -0.0658 -0.0547 -0.0266 50 PRO E CD +16773 N N . ARG E 51 ? 0.8364 0.6713 0.7074 -0.0665 -0.0590 -0.0337 51 ARG E N +16774 C CA . ARG E 51 ? 0.8117 0.6390 0.6757 -0.0646 -0.0584 -0.0345 51 ARG E CA +16775 C C . ARG E 51 ? 0.7353 0.5637 0.5961 -0.0607 -0.0583 -0.0341 51 ARG E C +16776 O O . ARG E 51 ? 0.8342 0.6686 0.6977 -0.0600 -0.0594 -0.0337 51 ARG E O +16777 C CB . ARG E 51 ? 0.7358 0.5587 0.5966 -0.0670 -0.0609 -0.0374 51 ARG E CB +16778 C CG . ARG E 51 ? 0.9224 0.7428 0.7853 -0.0708 -0.0607 -0.0379 51 ARG E CG +16779 C CD . ARG E 51 ? 1.0419 0.8602 0.9033 -0.0738 -0.0637 -0.0409 51 ARG E CD +16780 N NE . ARG E 51 ? 0.9526 0.7665 0.8146 -0.0774 -0.0631 -0.0415 51 ARG E NE +16781 C CZ . ARG E 51 ? 1.1790 0.9968 1.0470 -0.0809 -0.0631 -0.0412 51 ARG E CZ +16782 N NH1 . ARG E 51 ? 1.0092 0.8356 0.8834 -0.0813 -0.0638 -0.0404 51 ARG E NH1 +16783 N NH2 . ARG E 51 ? 1.0475 0.8603 0.9151 -0.0841 -0.0624 -0.0418 51 ARG E NH2 +16784 N N . PRO E 52 ? 0.7662 0.5888 0.6212 -0.0582 -0.0568 -0.0341 52 PRO E N +16785 C CA . PRO E 52 ? 0.7023 0.5258 0.5541 -0.0546 -0.0564 -0.0337 52 PRO E CA +16786 C C . PRO E 52 ? 0.8516 0.6778 0.7023 -0.0545 -0.0593 -0.0351 52 PRO E C +16787 O O . PRO E 52 ? 0.8179 0.6471 0.6680 -0.0521 -0.0591 -0.0343 52 PRO E O +16788 C CB . PRO E 52 ? 0.7708 0.5867 0.6162 -0.0526 -0.0548 -0.0343 52 PRO E CB +16789 C CG . PRO E 52 ? 0.7664 0.5793 0.6135 -0.0540 -0.0531 -0.0335 52 PRO E CG +16790 C CD . PRO E 52 ? 0.7687 0.5841 0.6203 -0.0581 -0.0550 -0.0342 52 PRO E CD +16791 N N . ASP E 53 ? 0.7872 0.6125 0.6377 -0.0572 -0.0621 -0.0373 53 ASP E N +16792 C CA . ASP E 53 ? 0.8558 0.6834 0.7048 -0.0571 -0.0652 -0.0389 53 ASP E CA +16793 C C . ASP E 53 ? 0.8867 0.7220 0.7424 -0.0591 -0.0672 -0.0388 53 ASP E C +16794 O O . ASP E 53 ? 0.8424 0.6800 0.6975 -0.0593 -0.0702 -0.0403 53 ASP E O +16795 C CB . ASP E 53 ? 0.8666 0.6885 0.7106 -0.0584 -0.0674 -0.0417 53 ASP E CB +16796 C CG . ASP E 53 ? 0.9560 0.7769 0.8031 -0.0626 -0.0685 -0.0430 53 ASP E CG +16797 O OD1 . ASP E 53 ? 1.0065 0.8315 0.8599 -0.0646 -0.0677 -0.0418 53 ASP E OD1 +16798 O OD2 . ASP E 53 ? 1.2846 1.1003 1.1276 -0.0639 -0.0702 -0.0453 53 ASP E OD2 +16799 N N . SER E 54 ? 0.7707 0.6101 0.6326 -0.0604 -0.0656 -0.0370 54 SER E N +16800 C CA . SER E 54 ? 0.8139 0.6607 0.6822 -0.0623 -0.0674 -0.0370 54 SER E CA +16801 C C . SER E 54 ? 0.8379 0.6906 0.7107 -0.0607 -0.0656 -0.0344 54 SER E C +16802 O O . SER E 54 ? 0.8187 0.6774 0.6976 -0.0624 -0.0664 -0.0340 54 SER E O +16803 C CB . SER E 54 ? 0.7846 0.6315 0.6571 -0.0665 -0.0679 -0.0379 54 SER E CB +16804 O OG . SER E 54 ? 1.1395 0.9807 1.0102 -0.0670 -0.0653 -0.0372 54 SER E OG +16805 N N . TYR E 55 ? 0.7759 0.6271 0.6457 -0.0574 -0.0634 -0.0328 55 TYR E N +16806 C CA . TYR E 55 ? 0.8199 0.6768 0.6936 -0.0558 -0.0622 -0.0306 55 TYR E CA +16807 C C . TYR E 55 ? 0.8319 0.6935 0.7060 -0.0547 -0.0647 -0.0311 55 TYR E C +16808 O O . TYR E 55 ? 0.7780 0.6459 0.6574 -0.0550 -0.0649 -0.0300 55 TYR E O +16809 C CB . TYR E 55 ? 0.7190 0.5732 0.5895 -0.0527 -0.0591 -0.0288 55 TYR E CB +16810 C CG . TYR E 55 ? 0.8500 0.7017 0.7219 -0.0533 -0.0564 -0.0275 55 TYR E CG +16811 C CD1 . TYR E 55 ? 0.7574 0.6134 0.6347 -0.0538 -0.0548 -0.0256 55 TYR E CD1 +16812 C CD2 . TYR E 55 ? 0.7388 0.5838 0.6064 -0.0533 -0.0554 -0.0283 55 TYR E CD2 +16813 C CE1 . TYR E 55 ? 0.7640 0.6176 0.6423 -0.0542 -0.0524 -0.0244 55 TYR E CE1 +16814 C CE2 . TYR E 55 ? 0.8676 0.7101 0.7362 -0.0537 -0.0531 -0.0272 55 TYR E CE2 +16815 C CZ . TYR E 55 ? 0.8130 0.6599 0.6870 -0.0541 -0.0516 -0.0252 55 TYR E CZ +16816 O OH . TYR E 55 ? 0.7843 0.6284 0.6589 -0.0543 -0.0493 -0.0241 55 TYR E OH +16817 N N . TYR E 56 ? 0.8548 0.7134 0.7234 -0.0534 -0.0665 -0.0327 56 TYR E N +16818 C CA . TYR E 56 ? 0.8581 0.7202 0.7259 -0.0520 -0.0689 -0.0332 56 TYR E CA +16819 C C . TYR E 56 ? 0.8735 0.7338 0.7385 -0.0532 -0.0725 -0.0360 56 TYR E C +16820 O O . TYR E 56 ? 0.8838 0.7386 0.7451 -0.0542 -0.0726 -0.0374 56 TYR E O +16821 C CB . TYR E 56 ? 0.7155 0.5754 0.5780 -0.0483 -0.0676 -0.0321 56 TYR E CB +16822 C CG . TYR E 56 ? 0.9061 0.7680 0.7706 -0.0465 -0.0645 -0.0294 56 TYR E CG +16823 C CD1 . TYR E 56 ? 0.8035 0.6714 0.6721 -0.0458 -0.0647 -0.0281 56 TYR E CD1 +16824 C CD2 . TYR E 56 ? 0.8013 0.6590 0.6633 -0.0454 -0.0613 -0.0284 56 TYR E CD2 +16825 C CE1 . TYR E 56 ? 0.7882 0.6577 0.6583 -0.0442 -0.0619 -0.0258 56 TYR E CE1 +16826 C CE2 . TYR E 56 ? 0.7701 0.6297 0.6339 -0.0437 -0.0586 -0.0261 56 TYR E CE2 +16827 C CZ . TYR E 56 ? 0.8449 0.7103 0.7126 -0.0432 -0.0589 -0.0248 56 TYR E CZ +16828 O OH . TYR E 56 ? 0.8671 0.7342 0.7364 -0.0417 -0.0562 -0.0226 56 TYR E OH +16829 N N . ALA E 57 ? 1.0625 0.9273 0.9287 -0.0528 -0.0753 -0.0367 57 ALA E N +16830 C CA . ALA E 57 ? 1.0752 0.9380 0.9371 -0.0528 -0.0788 -0.0392 57 ALA E CA +16831 C C . ALA E 57 ? 0.9232 0.7806 0.7769 -0.0495 -0.0781 -0.0391 57 ALA E C +16832 O O . ALA E 57 ? 0.9538 0.8106 0.8061 -0.0471 -0.0753 -0.0370 57 ALA E O +16833 C CB . ALA E 57 ? 0.9859 0.8553 0.8517 -0.0532 -0.0822 -0.0401 57 ALA E CB +16834 N N . GLN E 58 ? 1.0082 0.8617 0.8564 -0.0494 -0.0806 -0.0414 58 GLN E N +16835 C CA . GLN E 58 ? 1.1147 0.9616 0.9545 -0.0467 -0.0796 -0.0415 58 GLN E CA +16836 C C . GLN E 58 ? 1.0185 0.8667 0.8558 -0.0433 -0.0784 -0.0397 58 GLN E C +16837 O O . GLN E 58 ? 0.9087 0.7529 0.7417 -0.0412 -0.0754 -0.0385 58 GLN E O +16838 C CB . GLN E 58 ? 1.1232 0.9663 0.9576 -0.0472 -0.0829 -0.0444 58 GLN E CB +16839 C CG . GLN E 58 ? 0.8679 0.7037 0.6931 -0.0445 -0.0818 -0.0448 58 GLN E CG +16840 C CD . GLN E 58 ? 1.0005 0.8310 0.8239 -0.0445 -0.0781 -0.0441 58 GLN E CD +16841 O OE1 . GLN E 58 ? 0.9730 0.8037 0.8007 -0.0471 -0.0773 -0.0441 58 GLN E OE1 +16842 N NE2 . GLN E 58 ? 0.9697 0.7955 0.7867 -0.0417 -0.0759 -0.0434 58 GLN E NE2 +16843 N N . GLU E 59 ? 0.9238 0.7774 0.7637 -0.0427 -0.0806 -0.0395 59 GLU E N +16844 C CA . GLU E 59 ? 0.9777 0.8322 0.8148 -0.0395 -0.0798 -0.0378 59 GLU E CA +16845 C C . GLU E 59 ? 1.1663 1.0267 1.0097 -0.0391 -0.0782 -0.0355 59 GLU E C +16846 O O . GLU E 59 ? 1.2715 1.1324 1.1127 -0.0366 -0.0771 -0.0339 59 GLU E O +16847 C CB . GLU E 59 ? 1.0742 0.9293 0.9076 -0.0382 -0.0838 -0.0394 59 GLU E CB +16848 C CG . GLU E 59 ? 1.2592 1.1089 1.0866 -0.0387 -0.0862 -0.0421 59 GLU E CG +16849 C CD . GLU E 59 ? 1.5437 1.3859 1.3626 -0.0366 -0.0838 -0.0419 59 GLU E CD +16850 O OE1 . GLU E 59 ? 1.6689 1.5104 1.4870 -0.0348 -0.0803 -0.0397 59 GLU E OE1 +16851 O OE2 . GLU E 59 ? 1.6004 1.4376 1.4137 -0.0367 -0.0855 -0.0441 59 GLU E OE2 +16852 N N . GLN E 60 ? 1.1794 1.0441 1.0303 -0.0417 -0.0778 -0.0351 60 GLN E N +16853 C CA . GLN E 60 ? 1.2715 1.1417 1.1282 -0.0414 -0.0762 -0.0329 60 GLN E CA +16854 C C . GLN E 60 ? 1.0247 0.8928 0.8814 -0.0406 -0.0719 -0.0307 60 GLN E C +16855 O O . GLN E 60 ? 1.0965 0.9601 0.9513 -0.0413 -0.0701 -0.0310 60 GLN E O +16856 C CB . GLN E 60 ? 1.1802 1.0562 1.0450 -0.0444 -0.0775 -0.0334 60 GLN E CB +16857 C CG . GLN E 60 ? 1.4651 1.3392 1.3327 -0.0470 -0.0755 -0.0334 60 GLN E CG +16858 C CD . GLN E 60 ? 1.3508 1.2307 1.2266 -0.0490 -0.0746 -0.0323 60 GLN E CD +16859 O OE1 . GLN E 60 ? 1.6452 1.5305 1.5247 -0.0482 -0.0750 -0.0312 60 GLN E OE1 +16860 N NE2 . GLN E 60 ? 1.1988 1.0773 1.0773 -0.0517 -0.0732 -0.0324 60 GLN E NE2 +16861 N N . ARG E 61 ? 1.2359 1.1074 1.0950 -0.0391 -0.0702 -0.0286 61 ARG E N +16862 C CA . ARG E 61 ? 1.2391 1.1096 1.0991 -0.0385 -0.0663 -0.0265 61 ARG E CA +16863 C C . ARG E 61 ? 1.0732 0.9495 0.9404 -0.0393 -0.0652 -0.0248 61 ARG E C +16864 O O . ARG E 61 ? 1.1198 0.9962 0.9880 -0.0384 -0.0622 -0.0229 61 ARG E O +16865 C CB . ARG E 61 ? 1.3675 1.2347 1.2217 -0.0354 -0.0644 -0.0254 61 ARG E CB +16866 C CG . ARG E 61 ? 1.6243 1.4848 1.4710 -0.0345 -0.0640 -0.0266 61 ARG E CG +16867 C CD . ARG E 61 ? 1.4914 1.3491 1.3333 -0.0318 -0.0614 -0.0252 61 ARG E CD +16868 N NE . ARG E 61 ? 1.4417 1.2932 1.2759 -0.0305 -0.0613 -0.0265 61 ARG E NE +16869 C CZ . ARG E 61 ? 1.4890 1.3385 1.3176 -0.0290 -0.0632 -0.0274 61 ARG E CZ +16870 N NH1 . ARG E 61 ? 1.4770 1.3300 1.3065 -0.0285 -0.0656 -0.0273 61 ARG E NH1 +16871 N NH2 . ARG E 61 ? 1.5443 1.3879 1.3658 -0.0279 -0.0628 -0.0285 61 ARG E NH2 +16872 N N . SER E 62 ? 1.0059 0.8873 0.8783 -0.0409 -0.0676 -0.0255 62 SER E N +16873 C CA . SER E 62 ? 0.9607 0.8476 0.8400 -0.0419 -0.0667 -0.0241 62 SER E CA +16874 C C . SER E 62 ? 1.0031 0.8902 0.8868 -0.0449 -0.0658 -0.0244 62 SER E C +16875 O O . SER E 62 ? 0.9788 0.8637 0.8617 -0.0468 -0.0672 -0.0262 62 SER E O +16876 C CB . SER E 62 ? 1.1307 1.0233 1.0133 -0.0418 -0.0696 -0.0246 62 SER E CB +16877 O OG . SER E 62 ? 1.1642 1.0581 1.0487 -0.0441 -0.0725 -0.0269 62 SER E OG +16878 N N . ILE E 63 ? 0.7892 0.6788 0.6773 -0.0453 -0.0633 -0.0225 63 ILE E N +16879 C CA . ILE E 63 ? 0.7698 0.6597 0.6621 -0.0480 -0.0622 -0.0224 63 ILE E CA +16880 C C . ILE E 63 ? 0.8194 0.7145 0.7173 -0.0504 -0.0645 -0.0236 63 ILE E C +16881 O O . ILE E 63 ? 0.7835 0.6838 0.6841 -0.0496 -0.0659 -0.0233 63 ILE E O +16882 C CB . ILE E 63 ? 0.9559 0.8470 0.8510 -0.0475 -0.0590 -0.0201 63 ILE E CB +16883 C CG1 . ILE E 63 ? 0.9151 0.8025 0.8054 -0.0447 -0.0568 -0.0188 63 ILE E CG1 +16884 C CG2 . ILE E 63 ? 0.9354 0.8254 0.8334 -0.0499 -0.0575 -0.0199 63 ILE E CG2 +16885 C CD1 . ILE E 63 ? 0.8738 0.7550 0.7588 -0.0444 -0.0562 -0.0198 63 ILE E CD1 +16886 N N . PRO E 64 ? 0.8692 0.7634 0.7691 -0.0535 -0.0650 -0.0249 64 PRO E N +16887 C CA . PRO E 64 ? 0.8306 0.7304 0.7368 -0.0561 -0.0668 -0.0258 64 PRO E CA +16888 C C . PRO E 64 ? 0.8867 0.7903 0.7986 -0.0571 -0.0645 -0.0239 64 PRO E C +16889 O O . PRO E 64 ? 0.7763 0.6795 0.6912 -0.0598 -0.0633 -0.0239 64 PRO E O +16890 C CB . PRO E 64 ? 0.8280 0.7241 0.7331 -0.0590 -0.0679 -0.0278 64 PRO E CB +16891 C CG . PRO E 64 ? 0.8813 0.7705 0.7818 -0.0583 -0.0653 -0.0271 64 PRO E CG +16892 C CD . PRO E 64 ? 0.9014 0.7891 0.7974 -0.0545 -0.0644 -0.0258 64 PRO E CD +16893 N N . LEU E 65 ? 0.8160 0.7231 0.7293 -0.0549 -0.0637 -0.0223 65 LEU E N +16894 C CA . LEU E 65 ? 0.7312 0.6412 0.6489 -0.0552 -0.0612 -0.0203 65 LEU E CA +16895 C C . LEU E 65 ? 0.7715 0.6881 0.6959 -0.0573 -0.0624 -0.0208 65 LEU E C +16896 O O . LEU E 65 ? 0.7842 0.7051 0.7102 -0.0567 -0.0648 -0.0217 65 LEU E O +16897 C CB . LEU E 65 ? 0.8109 0.7215 0.7270 -0.0520 -0.0598 -0.0184 65 LEU E CB +16898 C CG . LEU E 65 ? 1.0726 0.9843 0.9916 -0.0520 -0.0568 -0.0162 65 LEU E CG +16899 C CD1 . LEU E 65 ? 0.8048 0.7106 0.7207 -0.0521 -0.0543 -0.0155 65 LEU E CD1 +16900 C CD2 . LEU E 65 ? 1.1407 1.0553 1.0599 -0.0493 -0.0562 -0.0146 65 LEU E CD2 +16901 N N . VAL E 66 ? 0.7602 0.6777 0.6886 -0.0597 -0.0606 -0.0201 66 VAL E N +16902 C CA . VAL E 66 ? 0.7455 0.6694 0.6806 -0.0617 -0.0612 -0.0205 66 VAL E CA +16903 C C . VAL E 66 ? 0.8528 0.7819 0.7905 -0.0594 -0.0608 -0.0190 66 VAL E C +16904 O O . VAL E 66 ? 0.7473 0.6750 0.6838 -0.0577 -0.0585 -0.0170 66 VAL E O +16905 C CB . VAL E 66 ? 0.8347 0.7574 0.7726 -0.0648 -0.0590 -0.0200 66 VAL E CB +16906 C CG1 . VAL E 66 ? 0.7381 0.6676 0.6829 -0.0665 -0.0588 -0.0197 66 VAL E CG1 +16907 C CG2 . VAL E 66 ? 0.7188 0.6371 0.6546 -0.0673 -0.0599 -0.0218 66 VAL E CG2 +16908 N N . THR E 67 ? 0.7108 0.6458 0.6521 -0.0594 -0.0632 -0.0200 67 THR E N +16909 C CA . THR E 67 ? 0.7290 0.6688 0.6725 -0.0570 -0.0630 -0.0188 67 THR E CA +16910 C C . THR E 67 ? 0.7567 0.7036 0.7074 -0.0586 -0.0633 -0.0190 67 THR E C +16911 O O . THR E 67 ? 0.8107 0.7617 0.7636 -0.0567 -0.0631 -0.0180 67 THR E O +16912 C CB . THR E 67 ? 0.8548 0.7948 0.7947 -0.0541 -0.0656 -0.0194 67 THR E CB +16913 O OG1 . THR E 67 ? 0.8642 0.8072 0.8059 -0.0553 -0.0689 -0.0218 67 THR E OG1 +16914 C CG2 . THR E 67 ? 0.7022 0.6353 0.6348 -0.0522 -0.0650 -0.0191 67 THR E CG2 +16915 N N . ASP E 68 ? 0.8242 0.7728 0.7787 -0.0621 -0.0637 -0.0204 68 ASP E N +16916 C CA . ASP E 68 ? 0.8691 0.8245 0.8307 -0.0639 -0.0636 -0.0206 68 ASP E CA +16917 C C . ASP E 68 ? 0.8795 0.8332 0.8433 -0.0670 -0.0608 -0.0198 68 ASP E C +16918 O O . ASP E 68 ? 0.9436 0.8915 0.9042 -0.0685 -0.0600 -0.0201 68 ASP E O +16919 C CB . ASP E 68 ? 0.8838 0.8440 0.8489 -0.0653 -0.0669 -0.0231 68 ASP E CB +16920 C CG . ASP E 68 ? 0.9998 0.9678 0.9726 -0.0668 -0.0667 -0.0234 68 ASP E CG +16921 O OD1 . ASP E 68 ? 1.3829 1.3553 1.3577 -0.0644 -0.0668 -0.0225 68 ASP E OD1 +16922 O OD2 . ASP E 68 ? 1.2021 1.1717 1.1789 -0.0705 -0.0664 -0.0245 68 ASP E OD2 +16923 N N . ARG E 69 ? 0.8185 0.7772 0.7878 -0.0679 -0.0592 -0.0190 69 ARG E N +16924 C CA . ARG E 69 ? 0.7094 0.6664 0.6805 -0.0707 -0.0563 -0.0181 69 ARG E CA +16925 C C . ARG E 69 ? 0.7411 0.6996 0.7158 -0.0749 -0.0571 -0.0200 69 ARG E C +16926 O O . ARG E 69 ? 0.7788 0.7320 0.7514 -0.0773 -0.0560 -0.0202 69 ARG E O +16927 C CB . ARG E 69 ? 0.7234 0.6844 0.6982 -0.0701 -0.0540 -0.0162 69 ARG E CB +16928 C CG . ARG E 69 ? 0.7139 0.6737 0.6909 -0.0731 -0.0512 -0.0154 69 ARG E CG +16929 C CD . ARG E 69 ? 0.6478 0.6094 0.6265 -0.0720 -0.0485 -0.0132 69 ARG E CD +16930 N NE . ARG E 69 ? 0.7266 0.6873 0.7075 -0.0752 -0.0459 -0.0126 69 ARG E NE +16931 C CZ . ARG E 69 ? 0.8233 0.7857 0.8063 -0.0751 -0.0434 -0.0109 69 ARG E CZ +16932 N NH1 . ARG E 69 ? 0.7366 0.7018 0.7200 -0.0720 -0.0431 -0.0096 69 ARG E NH1 +16933 N NH2 . ARG E 69 ? 0.7612 0.7221 0.7456 -0.0781 -0.0411 -0.0104 69 ARG E NH2 +16934 N N . PHE E 70 ? 0.7905 0.7561 0.7707 -0.0758 -0.0590 -0.0215 70 PHE E N +16935 C CA . PHE E 70 ? 0.7744 0.7428 0.7594 -0.0800 -0.0594 -0.0233 70 PHE E CA +16936 C C . PHE E 70 ? 0.7872 0.7546 0.7709 -0.0812 -0.0627 -0.0259 70 PHE E C +16937 O O . PHE E 70 ? 0.9324 0.9009 0.9192 -0.0850 -0.0632 -0.0276 70 PHE E O +16938 C CB . PHE E 70 ? 0.7895 0.7668 0.7819 -0.0806 -0.0594 -0.0236 70 PHE E CB +16939 C CG . PHE E 70 ? 0.8817 0.8601 0.8755 -0.0795 -0.0562 -0.0211 70 PHE E CG +16940 C CD1 . PHE E 70 ? 0.8241 0.7993 0.8181 -0.0821 -0.0529 -0.0199 70 PHE E CD1 +16941 C CD2 . PHE E 70 ? 0.7598 0.7418 0.7541 -0.0759 -0.0564 -0.0200 70 PHE E CD2 +16942 C CE1 . PHE E 70 ? 0.8151 0.7910 0.8099 -0.0810 -0.0500 -0.0176 70 PHE E CE1 +16943 C CE2 . PHE E 70 ? 0.7538 0.7365 0.7491 -0.0749 -0.0535 -0.0178 70 PHE E CE2 +16944 C CZ . PHE E 70 ? 0.7695 0.7493 0.7650 -0.0775 -0.0503 -0.0167 70 PHE E CZ +16945 N N . GLU E 71 ? 0.7798 0.7448 0.7586 -0.0782 -0.0650 -0.0264 71 GLU E N +16946 C CA . GLU E 71 ? 0.9270 0.8898 0.9031 -0.0789 -0.0681 -0.0287 71 GLU E CA +16947 C C . GLU E 71 ? 0.8658 0.8195 0.8341 -0.0778 -0.0674 -0.0281 71 GLU E C +16948 O O . GLU E 71 ? 0.9123 0.8632 0.8766 -0.0771 -0.0699 -0.0296 71 GLU E O +16949 C CB . GLU E 71 ? 0.9627 0.9308 0.9398 -0.0763 -0.0716 -0.0300 71 GLU E CB +16950 C CG . GLU E 71 ? 1.6332 1.6062 1.6147 -0.0789 -0.0748 -0.0330 71 GLU E CG +16951 C CD . GLU E 71 ? 1.5814 1.5600 1.5708 -0.0828 -0.0734 -0.0335 71 GLU E CD +16952 O OE1 . GLU E 71 ? 1.3614 1.3450 1.3550 -0.0819 -0.0717 -0.0321 71 GLU E OE1 +16953 O OE2 . GLU E 71 ? 1.5983 1.5760 1.5893 -0.0867 -0.0738 -0.0352 71 GLU E OE2 +16954 N N . ALA E 72 ? 0.9618 0.9110 0.9277 -0.0773 -0.0641 -0.0258 72 ALA E N +16955 C CA . ALA E 72 ? 0.9212 0.8621 0.8800 -0.0761 -0.0632 -0.0252 72 ALA E CA +16956 C C . ALA E 72 ? 0.7618 0.6979 0.7184 -0.0790 -0.0641 -0.0270 72 ALA E C +16957 O O . ALA E 72 ? 0.9014 0.8318 0.8521 -0.0778 -0.0650 -0.0276 72 ALA E O +16958 C CB . ALA E 72 ? 0.8888 0.8266 0.8465 -0.0755 -0.0595 -0.0225 72 ALA E CB +16959 N N . LYS E 73 ? 0.7558 0.6938 0.7170 -0.0830 -0.0637 -0.0280 73 LYS E N +16960 C CA . LYS E 73 ? 0.8708 0.8040 0.8299 -0.0862 -0.0644 -0.0298 73 LYS E CA +16961 C C . LYS E 73 ? 0.8986 0.8327 0.8563 -0.0859 -0.0684 -0.0324 73 LYS E C +16962 O O . LYS E 73 ? 0.8674 0.7952 0.8196 -0.0858 -0.0694 -0.0335 73 LYS E O +16963 C CB . LYS E 73 ? 0.8966 0.8325 0.8616 -0.0907 -0.0632 -0.0303 73 LYS E CB +16964 C CG . LYS E 73 ? 0.9032 0.8341 0.8666 -0.0945 -0.0637 -0.0322 73 LYS E CG +16965 C CD . LYS E 73 ? 0.9794 0.9128 0.9484 -0.0989 -0.0618 -0.0322 73 LYS E CD +16966 C CE . LYS E 73 ? 1.0660 0.9939 1.0333 -0.1030 -0.0620 -0.0340 73 LYS E CE +16967 N NZ . LYS E 73 ? 1.1545 1.0829 1.1208 -0.1034 -0.0660 -0.0369 73 LYS E NZ +16968 N N . GLN E 74 ? 0.9096 0.8515 0.8720 -0.0854 -0.0707 -0.0335 74 GLN E N +16969 C CA . GLN E 74 ? 0.8994 0.8427 0.8605 -0.0847 -0.0747 -0.0359 74 GLN E CA +16970 C C . GLN E 74 ? 0.8957 0.8346 0.8497 -0.0804 -0.0757 -0.0353 74 GLN E C +16971 O O . GLN E 74 ? 0.9375 0.8733 0.8874 -0.0801 -0.0782 -0.0371 74 GLN E O +16972 C CB . GLN E 74 ? 0.8670 0.8200 0.8351 -0.0848 -0.0769 -0.0370 74 GLN E CB +16973 C CG . GLN E 74 ? 1.5372 1.4929 1.5063 -0.0857 -0.0811 -0.0401 74 GLN E CG +16974 C CD . GLN E 74 ? 1.9651 1.9310 1.9422 -0.0863 -0.0829 -0.0412 74 GLN E CD +16975 O OE1 . GLN E 74 ? 1.8592 1.8296 1.8425 -0.0887 -0.0809 -0.0406 74 GLN E OE1 +16976 N NE2 . GLN E 74 ? 2.0672 2.0366 2.0439 -0.0841 -0.0867 -0.0428 74 GLN E NE2 +16977 N N . GLN E 75 ? 0.9452 0.8838 0.8976 -0.0772 -0.0736 -0.0328 75 GLN E N +16978 C CA . GLN E 75 ? 0.8234 0.7577 0.7690 -0.0732 -0.0741 -0.0321 75 GLN E CA +16979 C C . GLN E 75 ? 0.8702 0.7957 0.8093 -0.0736 -0.0732 -0.0323 75 GLN E C +16980 O O . GLN E 75 ? 0.8841 0.8060 0.8177 -0.0718 -0.0750 -0.0333 75 GLN E O +16981 C CB . GLN E 75 ? 0.8685 0.8039 0.8140 -0.0702 -0.0717 -0.0293 75 GLN E CB +16982 C CG . GLN E 75 ? 0.9620 0.9034 0.9095 -0.0674 -0.0734 -0.0292 75 GLN E CG +16983 C CD . GLN E 75 ? 0.8337 0.7756 0.7808 -0.0646 -0.0708 -0.0264 75 GLN E CD +16984 O OE1 . GLN E 75 ? 0.9138 0.8525 0.8602 -0.0651 -0.0677 -0.0247 75 GLN E OE1 +16985 N NE2 . GLN E 75 ? 0.8640 0.8096 0.8113 -0.0617 -0.0723 -0.0261 75 GLN E NE2 +16986 N N . VAL E 76 ? 0.8215 0.7433 0.7608 -0.0757 -0.0704 -0.0313 76 VAL E N +16987 C CA . VAL E 76 ? 0.8745 0.7879 0.8078 -0.0760 -0.0694 -0.0316 76 VAL E CA +16988 C C . VAL E 76 ? 0.9581 0.8695 0.8900 -0.0784 -0.0723 -0.0345 76 VAL E C +16989 O O . VAL E 76 ? 0.9532 0.8589 0.8789 -0.0772 -0.0733 -0.0354 76 VAL E O +16990 C CB . VAL E 76 ? 0.8698 0.7798 0.8038 -0.0778 -0.0659 -0.0299 76 VAL E CB +16991 C CG1 . VAL E 76 ? 0.7331 0.6344 0.6611 -0.0785 -0.0652 -0.0305 76 VAL E CG1 +16992 C CG2 . VAL E 76 ? 0.8817 0.7929 0.8160 -0.0751 -0.0633 -0.0271 76 VAL E CG2 +16993 N N . GLU E 77 ? 0.9133 0.8295 0.8510 -0.0818 -0.0736 -0.0360 77 GLU E N +16994 C CA . GLU E 77 ? 1.0620 0.9768 0.9988 -0.0844 -0.0765 -0.0390 77 GLU E CA +16995 C C . GLU E 77 ? 0.9037 0.8196 0.8374 -0.0817 -0.0800 -0.0405 77 GLU E C +16996 O O . GLU E 77 ? 0.9363 0.8472 0.8650 -0.0819 -0.0819 -0.0423 77 GLU E O +16997 C CB . GLU E 77 ? 0.9465 0.8672 0.8909 -0.0886 -0.0772 -0.0403 77 GLU E CB +16998 C CG . GLU E 77 ? 1.0691 0.9865 1.0151 -0.0921 -0.0740 -0.0394 77 GLU E CG +16999 C CD . GLU E 77 ? 1.0026 0.9271 0.9570 -0.0955 -0.0734 -0.0397 77 GLU E CD +17000 O OE1 . GLU E 77 ? 1.2397 1.1717 1.1990 -0.0958 -0.0760 -0.0412 77 GLU E OE1 +17001 O OE2 . GLU E 77 ? 1.0060 0.9287 0.9621 -0.0977 -0.0703 -0.0383 77 GLU E OE2 +17002 N N . THR E 78 ? 0.8926 0.8145 0.8285 -0.0789 -0.0810 -0.0397 78 THR E N +17003 C CA . THR E 78 ? 0.8250 0.7475 0.7573 -0.0759 -0.0841 -0.0408 78 THR E CA +17004 C C . THR E 78 ? 1.1051 1.0198 1.0288 -0.0729 -0.0832 -0.0399 78 THR E C +17005 O O . THR E 78 ? 0.9594 0.8708 0.8780 -0.0719 -0.0856 -0.0416 78 THR E O +17006 C CB . THR E 78 ? 1.0115 0.9415 0.9478 -0.0734 -0.0849 -0.0398 78 THR E CB +17007 O OG1 . THR E 78 ? 0.8988 0.8364 0.8432 -0.0762 -0.0858 -0.0408 78 THR E OG1 +17008 C CG2 . THR E 78 ? 0.9454 0.8756 0.8774 -0.0702 -0.0882 -0.0409 78 THR E CG2 +17009 N N . PHE E 79 ? 0.9430 0.8548 0.8651 -0.0714 -0.0796 -0.0373 79 PHE E N +17010 C CA . PHE E 79 ? 0.9290 0.8336 0.8433 -0.0686 -0.0784 -0.0365 79 PHE E CA +17011 C C . PHE E 79 ? 1.1077 1.0052 1.0175 -0.0705 -0.0788 -0.0382 79 PHE E C +17012 O O . PHE E 79 ? 1.1028 0.9954 1.0060 -0.0686 -0.0798 -0.0390 79 PHE E O +17013 C CB . PHE E 79 ? 0.9809 0.8841 0.8951 -0.0670 -0.0745 -0.0335 79 PHE E CB +17014 C CG . PHE E 79 ? 1.1526 1.0620 1.0707 -0.0650 -0.0739 -0.0317 79 PHE E CG +17015 C CD1 . PHE E 79 ? 1.0523 0.9661 0.9707 -0.0630 -0.0765 -0.0324 79 PHE E CD1 +17016 C CD2 . PHE E 79 ? 1.1592 1.0700 1.0805 -0.0651 -0.0707 -0.0294 79 PHE E CD2 +17017 C CE1 . PHE E 79 ? 1.0696 0.9888 0.9914 -0.0610 -0.0760 -0.0307 79 PHE E CE1 +17018 C CE2 . PHE E 79 ? 1.1989 1.1153 1.1237 -0.0633 -0.0701 -0.0278 79 PHE E CE2 +17019 C CZ . PHE E 79 ? 1.0884 1.0089 1.0134 -0.0612 -0.0727 -0.0285 79 PHE E CZ +17020 N N . LEU E 80 ? 1.1425 1.0395 1.0557 -0.0743 -0.0780 -0.0389 80 LEU E N +17021 C CA . LEU E 80 ? 1.1861 1.0759 1.0950 -0.0763 -0.0781 -0.0404 80 LEU E CA +17022 C C . LEU E 80 ? 1.3028 1.1924 1.2099 -0.0774 -0.0822 -0.0435 80 LEU E C +17023 O O . LEU E 80 ? 1.1224 1.0053 1.0234 -0.0772 -0.0828 -0.0448 80 LEU E O +17024 C CB . LEU E 80 ? 0.9691 0.8582 0.8821 -0.0802 -0.0761 -0.0401 80 LEU E CB +17025 C CG . LEU E 80 ? 1.0511 0.9375 0.9636 -0.0792 -0.0720 -0.0373 80 LEU E CG +17026 C CD1 . LEU E 80 ? 1.0230 0.9087 0.9393 -0.0831 -0.0702 -0.0371 80 LEU E CD1 +17027 C CD2 . LEU E 80 ? 0.9211 0.7995 0.8260 -0.0766 -0.0705 -0.0367 80 LEU E CD2 +17028 N N . GLU E 81 ? 1.1500 1.0471 1.0623 -0.0783 -0.0850 -0.0448 81 GLU E N +17029 C CA . GLU E 81 ? 1.0986 0.9959 1.0089 -0.0787 -0.0891 -0.0477 81 GLU E CA +17030 C C . GLU E 81 ? 1.1179 1.0113 1.0206 -0.0746 -0.0902 -0.0477 81 GLU E C +17031 O O . GLU E 81 ? 1.3769 1.2651 1.2739 -0.0746 -0.0921 -0.0496 81 GLU E O +17032 C CB . GLU E 81 ? 1.1966 1.1032 1.1141 -0.0798 -0.0919 -0.0489 81 GLU E CB +17033 C CG . GLU E 81 ? 1.2175 1.1293 1.1433 -0.0836 -0.0906 -0.0487 81 GLU E CG +17034 C CD . GLU E 81 ? 1.6639 1.5716 1.5898 -0.0880 -0.0904 -0.0504 81 GLU E CD +17035 O OE1 . GLU E 81 ? 1.8255 1.7301 1.7479 -0.0889 -0.0932 -0.0530 81 GLU E OE1 +17036 O OE2 . GLU E 81 ? 1.7464 1.6537 1.6758 -0.0907 -0.0875 -0.0493 81 GLU E OE2 +17037 N N . GLN E 82 ? 1.1761 1.0717 1.0783 -0.0710 -0.0889 -0.0455 82 GLN E N +17038 C CA . GLN E 82 ? 1.2549 1.1482 1.1506 -0.0671 -0.0903 -0.0454 82 GLN E CA +17039 C C . GLN E 82 ? 1.3918 1.2760 1.2794 -0.0656 -0.0885 -0.0451 82 GLN E C +17040 O O . GLN E 82 ? 1.6557 1.5371 1.5373 -0.0623 -0.0887 -0.0447 82 GLN E O +17041 C CB . GLN E 82 ? 1.3207 1.2184 1.2181 -0.0639 -0.0890 -0.0430 82 GLN E CB +17042 C CG . GLN E 82 ? 1.3553 1.2621 1.2602 -0.0647 -0.0911 -0.0434 82 GLN E CG +17043 C CD . GLN E 82 ? 1.5200 1.4308 1.4274 -0.0621 -0.0891 -0.0407 82 GLN E CD +17044 O OE1 . GLN E 82 ? 1.5625 1.4696 1.4665 -0.0601 -0.0861 -0.0386 82 GLN E OE1 +17045 N NE2 . GLN E 82 ? 1.6488 1.5674 1.5620 -0.0620 -0.0909 -0.0410 82 GLN E NE2 +17046 N N . LEU E 83 ? 1.2430 1.1226 1.1303 -0.0682 -0.0866 -0.0454 83 LEU E N +17047 C CA . LEU E 83 ? 1.5274 1.3984 1.4072 -0.0671 -0.0851 -0.0454 83 LEU E CA +17048 C C . LEU E 83 ? 1.6886 1.5552 1.5635 -0.0681 -0.0882 -0.0484 83 LEU E C +17049 O O . LEU E 83 ? 1.8566 1.7157 1.7258 -0.0680 -0.0871 -0.0490 83 LEU E O +17050 C CB . LEU E 83 ? 1.2640 1.1316 1.1453 -0.0690 -0.0816 -0.0441 83 LEU E CB +17051 C CG . LEU E 83 ? 1.2414 1.1113 1.1256 -0.0674 -0.0780 -0.0410 83 LEU E CG +17052 C CD1 . LEU E 83 ? 0.9822 0.8484 0.8676 -0.0695 -0.0750 -0.0400 83 LEU E CD1 +17053 C CD2 . LEU E 83 ? 1.1561 1.0237 1.0350 -0.0631 -0.0766 -0.0394 83 LEU E CD2 +17054 N N . LYS E 84 ? 2.0680 1.9392 1.9451 -0.0690 -0.0921 -0.0505 84 LYS E N +17055 C CA . LYS E 84 ? 2.0486 1.9166 1.9219 -0.0703 -0.0955 -0.0536 84 LYS E CA +17056 C C . LYS E 84 ? 2.3013 2.1645 2.1747 -0.0742 -0.0949 -0.0550 84 LYS E C +17057 O O . LYS E 84 ? 2.1974 2.0609 2.0750 -0.0763 -0.0921 -0.0537 84 LYS E O +17058 C CB . LYS E 84 ? 2.0072 1.8692 1.8713 -0.0667 -0.0962 -0.0540 84 LYS E CB +17059 C CG . LYS E 84 ? 2.1458 2.0120 2.0086 -0.0635 -0.0985 -0.0539 84 LYS E CG +17060 C CD . LYS E 84 ? 2.2663 2.1266 2.1200 -0.0612 -0.1006 -0.0555 84 LYS E CD +17061 C CE . LYS E 84 ? 2.3619 2.2264 2.2145 -0.0583 -0.1035 -0.0556 84 LYS E CE +17062 N NZ . LYS E 84 ? 2.2231 2.0820 2.0667 -0.0562 -0.1058 -0.0573 84 LYS E NZ +17063 O OXT . LYS E 84 ? 2.3732 2.2318 2.2422 -0.0753 -0.0971 -0.0575 84 LYS E OXT +17064 N N . SER F 11 ? 1.7306 1.2677 1.4389 -0.0659 0.0084 0.0266 12 SER F N +17065 C CA . SER F 11 ? 1.7315 1.2742 1.4412 -0.0622 0.0084 0.0288 12 SER F CA +17066 C C . SER F 11 ? 1.5069 1.0659 1.2280 -0.0644 0.0081 0.0283 12 SER F C +17067 O O . SER F 11 ? 1.5970 1.1597 1.3201 -0.0665 0.0097 0.0300 12 SER F O +17068 C CB . SER F 11 ? 1.8934 1.4347 1.5997 -0.0538 0.0060 0.0291 12 SER F CB +17069 O OG . SER F 11 ? 1.7870 1.3283 1.4908 -0.0502 0.0063 0.0316 12 SER F OG +17070 N N . TYR F 12 ? 1.4433 1.0122 1.1719 -0.0639 0.0060 0.0259 13 TYR F N +17071 C CA . TYR F 12 ? 1.3835 0.9678 1.1228 -0.0655 0.0054 0.0252 13 TYR F CA +17072 C C . TYR F 12 ? 1.3144 0.9028 1.0592 -0.0726 0.0063 0.0235 13 TYR F C +17073 O O . TYR F 12 ? 1.3071 0.8885 1.0489 -0.0753 0.0064 0.0219 13 TYR F O +17074 C CB . TYR F 12 ? 1.2554 0.8485 0.9994 -0.0602 0.0027 0.0238 13 TYR F CB +17075 C CG . TYR F 12 ? 1.3054 0.8976 1.0462 -0.0530 0.0015 0.0252 13 TYR F CG +17076 C CD1 . TYR F 12 ? 1.2478 0.8470 0.9916 -0.0512 0.0016 0.0270 13 TYR F CD1 +17077 C CD2 . TYR F 12 ? 1.3216 0.9064 1.0565 -0.0478 0.0001 0.0246 13 TYR F CD2 +17078 C CE1 . TYR F 12 ? 1.1351 0.7339 0.8761 -0.0446 0.0003 0.0281 13 TYR F CE1 +17079 C CE2 . TYR F 12 ? 1.2156 0.8001 0.9479 -0.0412 -0.0012 0.0257 13 TYR F CE2 +17080 C CZ . TYR F 12 ? 1.2760 0.8675 1.0114 -0.0396 -0.0011 0.0275 13 TYR F CZ +17081 O OH . TYR F 12 ? 1.7235 1.3147 1.4563 -0.0329 -0.0025 0.0285 13 TYR F OH +17082 N N . PRO F 13 ? 1.2682 0.8681 1.0212 -0.0758 0.0069 0.0235 14 PRO F N +17083 C CA . PRO F 13 ? 1.2928 0.8987 1.0524 -0.0818 0.0071 0.0215 14 PRO F CA +17084 C C . PRO F 13 ? 1.3750 0.9883 1.1398 -0.0798 0.0044 0.0190 14 PRO F C +17085 O O . PRO F 13 ? 1.1499 0.7662 0.9149 -0.0739 0.0025 0.0189 14 PRO F O +17086 C CB . PRO F 13 ? 1.1996 0.8157 0.9662 -0.0847 0.0084 0.0226 14 PRO F CB +17087 C CG . PRO F 13 ? 1.4516 1.0715 1.2179 -0.0787 0.0076 0.0244 14 PRO F CG +17088 C CD . PRO F 13 ? 1.1485 0.7564 0.9052 -0.0738 0.0072 0.0254 14 PRO F CD +17089 N N . ILE F 14 ? 1.1438 0.7597 0.9126 -0.0848 0.0042 0.0168 15 ILE F N +17090 C CA . ILE F 14 ? 1.2913 0.9140 1.0649 -0.0836 0.0018 0.0143 15 ILE F CA +17091 C C . ILE F 14 ? 1.2472 0.8846 1.0311 -0.0858 0.0013 0.0136 15 ILE F C +17092 O O . ILE F 14 ? 1.1557 0.8017 0.9441 -0.0822 -0.0007 0.0128 15 ILE F O +17093 C CB . ILE F 14 ? 1.0610 0.6759 0.8312 -0.0870 0.0016 0.0121 15 ILE F CB +17094 C CG1 . ILE F 14 ? 1.3105 0.9115 1.0706 -0.0834 0.0016 0.0127 15 ILE F CG1 +17095 C CG2 . ILE F 14 ? 1.0559 0.6789 0.8319 -0.0867 -0.0008 0.0095 15 ILE F CG2 +17096 C CD1 . ILE F 14 ? 1.4499 1.0422 1.2058 -0.0859 0.0012 0.0105 15 ILE F CD1 +17097 N N . PHE F 15 ? 1.0520 0.6924 0.8395 -0.0914 0.0030 0.0140 16 PHE F N +17098 C CA . PHE F 15 ? 1.1359 0.7896 0.9329 -0.0941 0.0026 0.0131 16 PHE F CA +17099 C C . PHE F 15 ? 1.2228 0.8822 1.0224 -0.0930 0.0039 0.0155 16 PHE F C +17100 O O . PHE F 15 ? 1.2515 0.9074 1.0495 -0.0964 0.0063 0.0170 16 PHE F O +17101 C CB . PHE F 15 ? 1.0454 0.6990 0.8452 -0.1012 0.0034 0.0115 16 PHE F CB +17102 C CG . PHE F 15 ? 1.2742 0.9224 1.0715 -0.1021 0.0019 0.0091 16 PHE F CG +17103 C CD1 . PHE F 15 ? 1.2482 0.9042 1.0505 -0.1009 -0.0006 0.0068 16 PHE F CD1 +17104 C CD2 . PHE F 15 ? 1.5022 1.1370 1.2915 -0.1038 0.0030 0.0090 16 PHE F CD2 +17105 C CE1 . PHE F 15 ? 1.2377 0.8885 1.0372 -0.1015 -0.0020 0.0045 16 PHE F CE1 +17106 C CE2 . PHE F 15 ? 1.4023 1.0318 1.1889 -0.1045 0.0016 0.0067 16 PHE F CE2 +17107 C CZ . PHE F 15 ? 1.4387 1.0762 1.2304 -0.1033 -0.0010 0.0044 16 PHE F CZ +17108 N N . THR F 16 ? 1.1961 0.8638 0.9994 -0.0883 0.0024 0.0159 17 THR F N +17109 C CA . THR F 16 ? 1.1043 0.7786 0.9106 -0.0867 0.0032 0.0179 17 THR F CA +17110 C C . THR F 16 ? 1.1790 0.8674 0.9947 -0.0868 0.0018 0.0168 17 THR F C +17111 O O . THR F 16 ? 1.0330 0.7257 0.8524 -0.0876 0.0001 0.0145 17 THR F O +17112 C CB . THR F 16 ? 1.0414 0.7118 0.8425 -0.0802 0.0026 0.0196 17 THR F CB +17113 O OG1 . THR F 16 ? 0.9797 0.6536 0.7822 -0.0757 0.0001 0.0182 17 THR F OG1 +17114 C CG2 . THR F 16 ? 1.0987 0.7548 0.8901 -0.0797 0.0039 0.0207 17 THR F CG2 +17115 N N . VAL F 17 ? 1.0576 0.7527 0.8767 -0.0859 0.0026 0.0184 18 VAL F N +17116 C CA . VAL F 17 ? 1.0040 0.7121 0.8312 -0.0848 0.0012 0.0177 18 VAL F CA +17117 C C . VAL F 17 ? 0.9294 0.6400 0.7569 -0.0797 -0.0013 0.0166 18 VAL F C +17118 O O . VAL F 17 ? 0.9637 0.6818 0.7967 -0.0801 -0.0029 0.0148 18 VAL F O +17119 C CB . VAL F 17 ? 1.1572 0.8704 0.9865 -0.0837 0.0024 0.0198 18 VAL F CB +17120 C CG1 . VAL F 17 ? 0.8341 0.5602 0.6712 -0.0817 0.0008 0.0192 18 VAL F CG1 +17121 C CG2 . VAL F 17 ? 0.8959 0.6079 0.7258 -0.0891 0.0051 0.0207 18 VAL F CG2 +17122 N N . ARG F 18 ? 0.8916 0.5957 0.7132 -0.0749 -0.0017 0.0176 19 ARG F N +17123 C CA . ARG F 18 ? 0.9730 0.6789 0.7945 -0.0700 -0.0039 0.0166 19 ARG F CA +17124 C C . ARG F 18 ? 1.0511 0.7550 0.8726 -0.0717 -0.0051 0.0141 19 ARG F C +17125 O O . ARG F 18 ? 0.9499 0.6599 0.7750 -0.0697 -0.0069 0.0126 19 ARG F O +17126 C CB . ARG F 18 ? 0.8949 0.5929 0.7094 -0.0650 -0.0040 0.0180 19 ARG F CB +17127 C CG . ARG F 18 ? 0.9809 0.6815 0.7958 -0.0596 -0.0061 0.0170 19 ARG F CG +17128 C CD . ARG F 18 ? 0.9548 0.6467 0.7624 -0.0548 -0.0063 0.0182 19 ARG F CD +17129 N NE . ARG F 18 ? 1.0778 0.7584 0.8789 -0.0558 -0.0059 0.0174 19 ARG F NE +17130 C CZ . ARG F 18 ? 1.1368 0.8082 0.9308 -0.0519 -0.0062 0.0180 19 ARG F CZ +17131 N NH1 . ARG F 18 ? 0.9628 0.6347 0.7551 -0.0467 -0.0067 0.0193 19 ARG F NH1 +17132 N NH2 . ARG F 18 ? 1.0360 0.6974 0.8243 -0.0532 -0.0059 0.0170 19 ARG F NH2 +17133 N N . TRP F 19 ? 1.0262 0.7211 0.8432 -0.0753 -0.0041 0.0137 20 TRP F N +17134 C CA . TRP F 19 ? 0.9005 0.5929 0.7171 -0.0772 -0.0052 0.0113 20 TRP F CA +17135 C C . TRP F 19 ? 0.9711 0.6741 0.7958 -0.0804 -0.0061 0.0096 20 TRP F C +17136 O O . TRP F 19 ? 0.8888 0.5949 0.7153 -0.0792 -0.0080 0.0077 20 TRP F O +17137 C CB . TRP F 19 ? 0.9573 0.6383 0.7680 -0.0812 -0.0037 0.0113 20 TRP F CB +17138 C CG . TRP F 19 ? 0.9759 0.6520 0.7845 -0.0828 -0.0048 0.0088 20 TRP F CG +17139 C CD1 . TRP F 19 ? 1.2282 0.8944 1.0298 -0.0802 -0.0053 0.0083 20 TRP F CD1 +17140 C CD2 . TRP F 19 ? 1.0178 0.6986 0.8313 -0.0875 -0.0055 0.0066 20 TRP F CD2 +17141 N NE1 . TRP F 19 ? 1.0933 0.7575 0.8949 -0.0829 -0.0063 0.0058 20 TRP F NE1 +17142 C CE2 . TRP F 19 ? 1.0948 0.7679 0.9036 -0.0875 -0.0065 0.0047 20 TRP F CE2 +17143 C CE3 . TRP F 19 ? 0.9805 0.6713 0.8018 -0.0915 -0.0055 0.0059 20 TRP F CE3 +17144 C CZ2 . TRP F 19 ? 0.9894 0.6645 0.8010 -0.0914 -0.0076 0.0022 20 TRP F CZ2 +17145 C CZ3 . TRP F 19 ? 1.0705 0.7635 0.8947 -0.0953 -0.0066 0.0034 20 TRP F CZ3 +17146 C CH2 . TRP F 19 ? 1.0548 0.7400 0.8742 -0.0952 -0.0077 0.0016 20 TRP F CH2 +17147 N N . VAL F 20 ? 0.9146 0.6231 0.7440 -0.0844 -0.0049 0.0102 21 VAL F N +17148 C CA . VAL F 20 ? 0.9406 0.6597 0.7779 -0.0873 -0.0058 0.0087 21 VAL F CA +17149 C C . VAL F 20 ? 0.9146 0.6431 0.7564 -0.0829 -0.0075 0.0085 21 VAL F C +17150 O O . VAL F 20 ? 0.9945 0.7283 0.8398 -0.0830 -0.0093 0.0066 21 VAL F O +17151 C CB . VAL F 20 ? 1.0785 0.8017 0.9199 -0.0918 -0.0039 0.0096 21 VAL F CB +17152 C CG1 . VAL F 20 ? 0.9363 0.6718 0.7864 -0.0937 -0.0050 0.0083 21 VAL F CG1 +17153 C CG2 . VAL F 20 ? 1.1894 0.9042 1.0273 -0.0970 -0.0023 0.0093 21 VAL F CG2 +17154 N N . ALA F 21 ? 0.8936 0.6241 0.7351 -0.0792 -0.0071 0.0104 22 ALA F N +17155 C CA . ALA F 21 ? 0.9510 0.6905 0.7968 -0.0753 -0.0086 0.0103 22 ALA F CA +17156 C C . ALA F 21 ? 0.9540 0.6915 0.7976 -0.0718 -0.0104 0.0088 22 ALA F C +17157 O O . ALA F 21 ? 0.9381 0.6829 0.7860 -0.0710 -0.0119 0.0074 22 ALA F O +17158 C CB . ALA F 21 ? 0.8527 0.5938 0.6980 -0.0719 -0.0078 0.0126 22 ALA F CB +17159 N N . VAL F 22 ? 0.9665 0.6941 0.8032 -0.0697 -0.0103 0.0089 23 VAL F N +17160 C CA . VAL F 22 ? 0.8735 0.5986 0.7077 -0.0664 -0.0118 0.0074 23 VAL F CA +17161 C C . VAL F 22 ? 1.0012 0.7285 0.8378 -0.0695 -0.0130 0.0050 23 VAL F C +17162 O O . VAL F 22 ? 0.9233 0.6554 0.7622 -0.0673 -0.0145 0.0036 23 VAL F O +17163 C CB . VAL F 22 ? 0.9713 0.6843 0.7973 -0.0642 -0.0113 0.0079 23 VAL F CB +17164 C CG1 . VAL F 22 ? 0.8976 0.6068 0.7206 -0.0621 -0.0127 0.0059 23 VAL F CG1 +17165 C CG2 . VAL F 22 ? 0.8797 0.5913 0.7031 -0.0598 -0.0107 0.0101 23 VAL F CG2 +17166 N N . HIS F 23 ? 0.8475 0.5716 0.6840 -0.0747 -0.0123 0.0043 24 HIS F N +17167 C CA . HIS F 23 ? 0.9773 0.7017 0.8149 -0.0775 -0.0135 0.0018 24 HIS F CA +17168 C C . HIS F 23 ? 0.9131 0.6489 0.7585 -0.0796 -0.0145 0.0008 24 HIS F C +17169 O O . HIS F 23 ? 0.9955 0.7337 0.8423 -0.0799 -0.0162 -0.0012 24 HIS F O +17170 C CB . HIS F 23 ? 0.9518 0.6674 0.7856 -0.0821 -0.0125 0.0013 24 HIS F CB +17171 C CG . HIS F 23 ? 1.1265 0.8300 0.9519 -0.0799 -0.0121 0.0015 24 HIS F CG +17172 N ND1 . HIS F 23 ? 0.9827 0.6791 0.8033 -0.0786 -0.0105 0.0036 24 HIS F ND1 +17173 C CD2 . HIS F 23 ? 0.9538 0.6511 0.7748 -0.0784 -0.0132 -0.0002 24 HIS F CD2 +17174 C CE1 . HIS F 23 ? 1.0432 0.7295 0.8567 -0.0764 -0.0106 0.0033 24 HIS F CE1 +17175 N NE2 . HIS F 23 ? 0.9573 0.6440 0.7710 -0.0762 -0.0122 0.0009 24 HIS F NE2 +17176 N N . THR F 24 ? 0.8980 0.6408 0.7483 -0.0809 -0.0137 0.0022 25 THR F N +17177 C CA . THR F 24 ? 0.8859 0.6397 0.7435 -0.0823 -0.0147 0.0013 25 THR F CA +17178 C C . THR F 24 ? 0.8168 0.5762 0.6760 -0.0777 -0.0164 0.0008 25 THR F C +17179 O O . THR F 24 ? 0.8927 0.6592 0.7564 -0.0784 -0.0178 -0.0006 25 THR F O +17180 C CB . THR F 24 ? 0.8424 0.6025 0.7046 -0.0841 -0.0134 0.0029 25 THR F CB +17181 O OG1 . THR F 24 ? 1.0113 0.7723 0.8725 -0.0798 -0.0128 0.0049 25 THR F OG1 +17182 C CG2 . THR F 24 ? 0.8088 0.5633 0.6693 -0.0886 -0.0114 0.0036 25 THR F CG2 +17183 N N . LEU F 25 ? 0.8490 0.6052 0.7046 -0.0729 -0.0162 0.0019 26 LEU F N +17184 C CA . LEU F 25 ? 0.8616 0.6219 0.7180 -0.0686 -0.0175 0.0013 26 LEU F CA +17185 C C . LEU F 25 ? 0.8871 0.6414 0.7391 -0.0672 -0.0186 -0.0005 26 LEU F C +17186 O O . LEU F 25 ? 0.9490 0.7077 0.8031 -0.0664 -0.0200 -0.0021 26 LEU F O +17187 C CB . LEU F 25 ? 0.9490 0.7097 0.8043 -0.0640 -0.0169 0.0033 26 LEU F CB +17188 C CG . LEU F 25 ? 1.0247 0.7920 0.8843 -0.0645 -0.0160 0.0051 26 LEU F CG +17189 C CD1 . LEU F 25 ? 1.0468 0.8134 0.9045 -0.0600 -0.0155 0.0068 26 LEU F CD1 +17190 C CD2 . LEU F 25 ? 0.8184 0.5961 0.6846 -0.0654 -0.0170 0.0042 26 LEU F CD2 +17191 N N . ALA F 26 ? 0.9641 0.7083 0.8098 -0.0667 -0.0179 -0.0003 27 ALA F N +17192 C CA . ALA F 26 ? 0.9066 0.6446 0.7476 -0.0646 -0.0188 -0.0019 27 ALA F CA +17193 C C . ALA F 26 ? 0.8793 0.6165 0.7206 -0.0683 -0.0199 -0.0042 27 ALA F C +17194 O O . ALA F 26 ? 0.8716 0.6080 0.7113 -0.0664 -0.0211 -0.0059 27 ALA F O +17195 C CB . ALA F 26 ? 0.9161 0.6432 0.7500 -0.0630 -0.0177 -0.0010 27 ALA F CB +17196 N N . VAL F 27 ? 0.8424 0.5797 0.6856 -0.0734 -0.0195 -0.0045 28 VAL F N +17197 C CA . VAL F 27 ? 0.9050 0.6406 0.7481 -0.0771 -0.0206 -0.0068 28 VAL F CA +17198 C C . VAL F 27 ? 0.8816 0.6265 0.7297 -0.0768 -0.0224 -0.0083 28 VAL F C +17199 O O . VAL F 27 ? 0.8957 0.6385 0.7416 -0.0758 -0.0238 -0.0103 28 VAL F O +17200 C CB . VAL F 27 ? 0.9869 0.7205 0.8311 -0.0829 -0.0196 -0.0068 28 VAL F CB +17201 C CG1 . VAL F 27 ? 0.8548 0.5906 0.7015 -0.0871 -0.0211 -0.0092 28 VAL F CG1 +17202 C CG2 . VAL F 27 ? 0.8947 0.6166 0.7321 -0.0833 -0.0182 -0.0060 28 VAL F CG2 +17203 N N . PRO F 28 ? 1.0336 0.7882 0.8880 -0.0772 -0.0225 -0.0075 29 PRO F N +17204 C CA . PRO F 28 ? 0.8721 0.6350 0.7307 -0.0764 -0.0243 -0.0089 29 PRO F CA +17205 C C . PRO F 28 ? 0.7619 0.5250 0.6183 -0.0712 -0.0248 -0.0090 29 PRO F C +17206 O O . PRO F 28 ? 0.8673 0.6327 0.7240 -0.0705 -0.0264 -0.0107 29 PRO F O +17207 C CB . PRO F 28 ? 0.8492 0.6216 0.7144 -0.0776 -0.0239 -0.0076 29 PRO F CB +17208 C CG . PRO F 28 ? 0.9506 0.7196 0.8155 -0.0806 -0.0221 -0.0062 29 PRO F CG +17209 C CD . PRO F 28 ? 0.9097 0.6684 0.7678 -0.0786 -0.0210 -0.0055 29 PRO F CD +17210 N N . THR F 29 ? 0.7546 0.5152 0.6086 -0.0675 -0.0237 -0.0073 30 THR F N +17211 C CA . THR F 29 ? 0.8063 0.5676 0.6586 -0.0625 -0.0241 -0.0074 30 THR F CA +17212 C C . THR F 29 ? 0.8980 0.6531 0.7456 -0.0618 -0.0250 -0.0096 30 THR F C +17213 O O . THR F 29 ? 0.8997 0.6582 0.7479 -0.0600 -0.0261 -0.0108 30 THR F O +17214 C CB . THR F 29 ? 0.8185 0.5771 0.6687 -0.0588 -0.0227 -0.0054 30 THR F CB +17215 O OG1 . THR F 29 ? 0.8467 0.6118 0.7014 -0.0592 -0.0220 -0.0036 30 THR F OG1 +17216 C CG2 . THR F 29 ? 0.7794 0.5388 0.6281 -0.0537 -0.0231 -0.0057 30 THR F CG2 +17217 N N . ILE F 30 ? 0.9954 0.7410 0.8379 -0.0633 -0.0246 -0.0100 31 ILE F N +17218 C CA . ILE F 30 ? 0.8420 0.5811 0.6795 -0.0625 -0.0254 -0.0120 31 ILE F CA +17219 C C . ILE F 30 ? 0.7698 0.5122 0.6094 -0.0655 -0.0271 -0.0143 31 ILE F C +17220 O O . ILE F 30 ? 0.8587 0.6006 0.6962 -0.0636 -0.0282 -0.0159 31 ILE F O +17221 C CB . ILE F 30 ? 0.9598 0.6876 0.7912 -0.0637 -0.0246 -0.0120 31 ILE F CB +17222 C CG1 . ILE F 30 ? 0.9904 0.7144 0.8191 -0.0600 -0.0231 -0.0099 31 ILE F CG1 +17223 C CG2 . ILE F 30 ? 0.8627 0.5836 0.6889 -0.0633 -0.0255 -0.0143 31 ILE F CG2 +17224 C CD1 . ILE F 30 ? 0.9687 0.6951 0.7968 -0.0544 -0.0232 -0.0097 31 ILE F CD1 +17225 N N . PHE F 31 ? 0.8459 0.5915 0.6892 -0.0702 -0.0274 -0.0145 32 PHE F N +17226 C CA . PHE F 31 ? 0.8083 0.5582 0.6543 -0.0731 -0.0293 -0.0165 32 PHE F CA +17227 C C . PHE F 31 ? 0.8611 0.6195 0.7105 -0.0703 -0.0303 -0.0168 32 PHE F C +17228 O O . PHE F 31 ? 0.8864 0.6452 0.7346 -0.0698 -0.0318 -0.0187 32 PHE F O +17229 C CB . PHE F 31 ? 0.8433 0.5968 0.6940 -0.0783 -0.0292 -0.0163 32 PHE F CB +17230 C CG . PHE F 31 ? 0.9719 0.7306 0.8261 -0.0814 -0.0311 -0.0184 32 PHE F CG +17231 C CD1 . PHE F 31 ? 0.9315 0.7002 0.7912 -0.0807 -0.0321 -0.0183 32 PHE F CD1 +17232 C CD2 . PHE F 31 ? 0.8807 0.6342 0.7326 -0.0851 -0.0321 -0.0205 32 PHE F CD2 +17233 C CE1 . PHE F 31 ? 0.9650 0.7386 0.8279 -0.0834 -0.0341 -0.0203 32 PHE F CE1 +17234 C CE2 . PHE F 31 ? 0.9641 0.7226 0.8194 -0.0880 -0.0341 -0.0225 32 PHE F CE2 +17235 C CZ . PHE F 31 ? 1.0601 0.8287 0.9208 -0.0870 -0.0352 -0.0224 32 PHE F CZ +17236 N N . PHE F 32 ? 0.8016 0.5666 0.6549 -0.0682 -0.0295 -0.0148 33 PHE F N +17237 C CA . PHE F 32 ? 0.7928 0.5656 0.6492 -0.0656 -0.0303 -0.0149 33 PHE F CA +17238 C C . PHE F 32 ? 0.7675 0.5371 0.6196 -0.0612 -0.0303 -0.0155 33 PHE F C +17239 O O . PHE F 32 ? 0.7884 0.5616 0.6410 -0.0599 -0.0314 -0.0167 33 PHE F O +17240 C CB . PHE F 32 ? 0.7554 0.5352 0.6165 -0.0643 -0.0292 -0.0126 33 PHE F CB +17241 C CG . PHE F 32 ? 0.8780 0.6652 0.7450 -0.0677 -0.0297 -0.0124 33 PHE F CG +17242 C CD1 . PHE F 32 ? 0.7686 0.5540 0.6367 -0.0721 -0.0295 -0.0126 33 PHE F CD1 +17243 C CD2 . PHE F 32 ? 0.8002 0.5962 0.6717 -0.0664 -0.0304 -0.0121 33 PHE F CD2 +17244 C CE1 . PHE F 32 ? 0.7905 0.5831 0.6644 -0.0751 -0.0299 -0.0125 33 PHE F CE1 +17245 C CE2 . PHE F 32 ? 0.8406 0.6434 0.7175 -0.0693 -0.0308 -0.0119 33 PHE F CE2 +17246 C CZ . PHE F 32 ? 0.7648 0.5661 0.6431 -0.0736 -0.0306 -0.0121 33 PHE F CZ +17247 N N . LEU F 33 ? 0.7827 0.5456 0.6305 -0.0587 -0.0290 -0.0147 34 LEU F N +17248 C CA . LEU F 33 ? 0.8250 0.5848 0.6688 -0.0544 -0.0289 -0.0154 34 LEU F CA +17249 C C . LEU F 33 ? 0.8788 0.6340 0.7187 -0.0553 -0.0302 -0.0179 34 LEU F C +17250 O O . LEU F 33 ? 0.8721 0.6283 0.7105 -0.0526 -0.0307 -0.0190 34 LEU F O +17251 C CB . LEU F 33 ? 0.8403 0.5936 0.6803 -0.0516 -0.0274 -0.0142 34 LEU F CB +17252 C CG . LEU F 33 ? 0.9907 0.7489 0.8339 -0.0492 -0.0262 -0.0118 34 LEU F CG +17253 C CD1 . LEU F 33 ? 0.9278 0.6786 0.7668 -0.0469 -0.0250 -0.0106 34 LEU F CD1 +17254 C CD2 . LEU F 33 ? 0.8107 0.5758 0.6565 -0.0457 -0.0264 -0.0118 34 LEU F CD2 +17255 N N . GLY F 34 ? 0.8272 0.5771 0.6653 -0.0592 -0.0308 -0.0190 35 GLY F N +17256 C CA . GLY F 34 ? 0.7976 0.5434 0.6322 -0.0604 -0.0322 -0.0215 35 GLY F CA +17257 C C . GLY F 34 ? 0.8424 0.5957 0.6806 -0.0617 -0.0339 -0.0227 35 GLY F C +17258 O O . GLY F 34 ? 0.8313 0.5836 0.6668 -0.0603 -0.0350 -0.0245 35 GLY F O +17259 N N . ALA F 35 ? 0.8209 0.5817 0.6651 -0.0641 -0.0342 -0.0218 36 ALA F N +17260 C CA . ALA F 35 ? 0.8565 0.6248 0.7043 -0.0650 -0.0359 -0.0229 36 ALA F CA +17261 C C . ALA F 35 ? 0.7880 0.5605 0.6359 -0.0606 -0.0358 -0.0225 36 ALA F C +17262 O O . ALA F 35 ? 0.8566 0.6307 0.7034 -0.0600 -0.0372 -0.0241 36 ALA F O +17263 C CB . ALA F 35 ? 0.8064 0.5818 0.6606 -0.0683 -0.0361 -0.0219 36 ALA F CB +17264 N N . ILE F 36 ? 0.8421 0.6163 0.6909 -0.0575 -0.0341 -0.0205 37 ILE F N +17265 C CA . ILE F 36 ? 0.8235 0.6021 0.6729 -0.0536 -0.0337 -0.0201 37 ILE F CA +17266 C C . ILE F 36 ? 0.8085 0.5810 0.6519 -0.0505 -0.0335 -0.0214 37 ILE F C +17267 O O . ILE F 36 ? 0.8125 0.5877 0.6553 -0.0483 -0.0339 -0.0221 37 ILE F O +17268 C CB . ILE F 36 ? 1.0065 0.7890 0.8590 -0.0514 -0.0321 -0.0176 37 ILE F CB +17269 C CG1 . ILE F 36 ? 0.7861 0.5752 0.6445 -0.0542 -0.0322 -0.0163 37 ILE F CG1 +17270 C CG2 . ILE F 36 ? 0.8103 0.5973 0.6634 -0.0473 -0.0315 -0.0172 37 ILE F CG2 +17271 C CD1 . ILE F 36 ? 0.7455 0.5369 0.6064 -0.0527 -0.0306 -0.0139 37 ILE F CD1 +17272 N N . ALA F 37 ? 0.8387 0.6028 0.6776 -0.0504 -0.0329 -0.0218 38 ALA F N +17273 C CA . ALA F 37 ? 0.8580 0.6158 0.6910 -0.0477 -0.0328 -0.0233 38 ALA F CA +17274 C C . ALA F 37 ? 0.8870 0.6442 0.7181 -0.0494 -0.0347 -0.0257 38 ALA F C +17275 O O . ALA F 37 ? 0.8879 0.6449 0.7163 -0.0468 -0.0348 -0.0268 38 ALA F O +17276 C CB . ALA F 37 ? 0.8578 0.6062 0.6861 -0.0476 -0.0320 -0.0234 38 ALA F CB +17277 N N . ALA F 38 ? 0.8663 0.6235 0.6988 -0.0539 -0.0362 -0.0266 39 ALA F N +17278 C CA . ALA F 38 ? 0.8281 0.5852 0.6590 -0.0556 -0.0382 -0.0289 39 ALA F CA +17279 C C . ALA F 38 ? 0.8809 0.6460 0.7147 -0.0542 -0.0390 -0.0289 39 ALA F C +17280 O O . ALA F 38 ? 0.8749 0.6392 0.7057 -0.0534 -0.0401 -0.0306 39 ALA F O +17281 C CB . ALA F 38 ? 0.8172 0.5739 0.6501 -0.0608 -0.0397 -0.0298 39 ALA F CB +17282 N N . MET F 39 ? 0.9007 0.6733 0.7400 -0.0537 -0.0383 -0.0269 40 MET F N +17283 C CA . MET F 39 ? 0.8777 0.6576 0.7195 -0.0524 -0.0390 -0.0268 40 MET F CA +17284 C C . MET F 39 ? 0.8447 0.6235 0.6829 -0.0482 -0.0381 -0.0272 40 MET F C +17285 O O . MET F 39 ? 0.8270 0.6096 0.6653 -0.0473 -0.0390 -0.0278 40 MET F O +17286 C CB . MET F 39 ? 0.8384 0.6260 0.6866 -0.0526 -0.0382 -0.0246 40 MET F CB +17287 C CG . MET F 39 ? 0.8528 0.6429 0.7051 -0.0569 -0.0392 -0.0244 40 MET F CG +17288 S SD . MET F 39 ? 0.8162 0.6138 0.6750 -0.0567 -0.0378 -0.0216 40 MET F SD +17289 C CE . MET F 39 ? 0.7393 0.5377 0.6019 -0.0619 -0.0385 -0.0216 40 MET F CE +17290 N N . GLN F 40 ? 0.8528 0.6264 0.6877 -0.0455 -0.0364 -0.0268 41 GLN F N +17291 C CA . GLN F 40 ? 0.7620 0.5352 0.5941 -0.0413 -0.0353 -0.0270 41 GLN F CA +17292 C C . GLN F 40 ? 0.9207 0.6895 0.7473 -0.0410 -0.0364 -0.0294 41 GLN F C +17293 O O . GLN F 40 ? 0.9828 0.7514 0.8068 -0.0377 -0.0355 -0.0298 41 GLN F O +17294 C CB . GLN F 40 ? 0.7848 0.5539 0.6150 -0.0383 -0.0332 -0.0260 41 GLN F CB +17295 C CG . GLN F 40 ? 0.8633 0.6354 0.6979 -0.0386 -0.0321 -0.0237 41 GLN F CG +17296 C CD . GLN F 40 ? 0.9437 0.7251 0.7841 -0.0386 -0.0320 -0.0222 41 GLN F CD +17297 O OE1 . GLN F 40 ? 0.8407 0.6261 0.6815 -0.0365 -0.0318 -0.0223 41 GLN F OE1 +17298 N NE2 . GLN F 40 ? 0.8004 0.5851 0.6452 -0.0411 -0.0322 -0.0209 41 GLN F NE2 +17299 N N . PHE F 41 ? 0.8211 0.5864 0.6460 -0.0443 -0.0383 -0.0310 42 PHE F N +17300 C CA . PHE F 41 ? 0.9928 0.7537 0.8123 -0.0442 -0.0396 -0.0334 42 PHE F CA +17301 C C . PHE F 41 ? 0.9363 0.7020 0.7578 -0.0467 -0.0420 -0.0345 42 PHE F C +17302 O O . PHE F 41 ? 0.9958 0.7581 0.8131 -0.0472 -0.0436 -0.0366 42 PHE F O +17303 C CB . PHE F 41 ? 0.9058 0.6577 0.7207 -0.0457 -0.0400 -0.0349 42 PHE F CB +17304 C CG . PHE F 41 ? 0.9976 0.7444 0.8103 -0.0430 -0.0378 -0.0339 42 PHE F CG +17305 C CD1 . PHE F 41 ? 0.8640 0.6103 0.6795 -0.0442 -0.0369 -0.0323 42 PHE F CD1 +17306 C CD2 . PHE F 41 ? 0.9715 0.7146 0.7795 -0.0390 -0.0365 -0.0345 42 PHE F CD2 +17307 C CE1 . PHE F 41 ? 0.9629 0.7047 0.7763 -0.0414 -0.0349 -0.0313 42 PHE F CE1 +17308 C CE2 . PHE F 41 ? 0.9731 0.7120 0.7793 -0.0362 -0.0345 -0.0337 42 PHE F CE2 +17309 C CZ . PHE F 41 ? 1.0065 0.7447 0.8153 -0.0374 -0.0338 -0.0320 42 PHE F CZ +17310 N N . ILE F 42 ? 0.8761 0.6494 0.7036 -0.0481 -0.0424 -0.0331 43 ILE F N +17311 C CA . ILE F 42 ? 0.9847 0.7631 0.8142 -0.0499 -0.0447 -0.0339 43 ILE F CA +17312 C C . ILE F 42 ? 0.9517 0.7329 0.7794 -0.0466 -0.0443 -0.0340 43 ILE F C +17313 O O . ILE F 42 ? 0.9901 0.7739 0.8190 -0.0437 -0.0423 -0.0323 43 ILE F O +17314 C CB . ILE F 42 ? 1.0044 0.7900 0.8410 -0.0524 -0.0451 -0.0324 43 ILE F CB +17315 C CG1 . ILE F 42 ? 0.9638 0.7463 0.8021 -0.0557 -0.0451 -0.0323 43 ILE F CG1 +17316 C CG2 . ILE F 42 ? 0.7478 0.5388 0.5865 -0.0540 -0.0476 -0.0334 43 ILE F CG2 +17317 C CD1 . ILE F 42 ? 0.9781 0.7675 0.8233 -0.0583 -0.0454 -0.0309 43 ILE F CD1 +17318 N N . GLN F 43 ? 0.9737 0.7540 0.7982 -0.0471 -0.0464 -0.0359 44 GLN F N +17319 C CA . GLN F 43 ? 0.9188 0.7015 0.7411 -0.0445 -0.0464 -0.0361 44 GLN F CA +17320 C C . GLN F 43 ? 1.0095 0.7989 0.8354 -0.0462 -0.0486 -0.0361 44 GLN F C +17321 O O . GLN F 43 ? 0.9451 0.7357 0.7735 -0.0495 -0.0507 -0.0370 44 GLN F O +17322 C CB . GLN F 43 ? 1.0099 0.7858 0.8248 -0.0433 -0.0471 -0.0385 44 GLN F CB +17323 C CG . GLN F 43 ? 1.1061 0.8750 0.9167 -0.0412 -0.0450 -0.0387 44 GLN F CG +17324 C CD . GLN F 43 ? 1.3431 1.1135 1.1531 -0.0371 -0.0422 -0.0373 44 GLN F CD +17325 O OE1 . GLN F 43 ? 1.3778 1.1538 1.1895 -0.0358 -0.0419 -0.0364 44 GLN F OE1 +17326 N NE2 . GLN F 43 ? 1.4439 1.2096 1.2515 -0.0350 -0.0401 -0.0371 44 GLN F NE2 +17327 N N . ARG F 44 ? 0.8108 0.6045 0.6371 -0.0438 -0.0480 -0.0352 45 ARG F N +17328 C CA . ARG F 44 ? 0.8578 0.6573 0.6867 -0.0450 -0.0502 -0.0354 45 ARG F CA +17329 C C . ARG F 44 ? 0.9255 0.7213 0.7488 -0.0452 -0.0526 -0.0379 45 ARG F C +17330 O O . ARG F 44 ? 0.9641 0.7626 0.7886 -0.0472 -0.0554 -0.0389 45 ARG F O +17331 C CB . ARG F 44 ? 0.9566 0.7617 0.7875 -0.0425 -0.0488 -0.0335 45 ARG F CB +17332 C CG . ARG F 44 ? 0.8561 0.6586 0.6815 -0.0391 -0.0475 -0.0338 45 ARG F CG +17333 C CD . ARG F 44 ? 0.9008 0.7087 0.7289 -0.0370 -0.0456 -0.0317 45 ARG F CD +17334 N NE . ARG F 44 ? 0.7989 0.6047 0.6219 -0.0340 -0.0443 -0.0320 45 ARG F NE +17335 C CZ . ARG F 44 ? 0.7992 0.6053 0.6187 -0.0334 -0.0457 -0.0329 45 ARG F CZ +17336 N NH1 . ARG F 44 ? 0.8398 0.6482 0.6605 -0.0354 -0.0488 -0.0337 45 ARG F NH1 +17337 N NH2 . ARG F 44 ? 0.8830 0.6870 0.6977 -0.0306 -0.0441 -0.0330 45 ARG F NH2 +17338 O OXT . ARG F 44 ? 0.9266 0.7164 0.7438 -0.0434 -0.0518 -0.0390 45 ARG F OXT +17339 N N . ALA G 1 ? 1.2373 1.0644 1.0409 -0.0337 0.0468 0.0568 2 ALA H N +17340 C CA . ALA G 1 ? 0.8955 0.7320 0.7095 -0.0350 0.0462 0.0551 2 ALA H CA +17341 C C . ALA G 1 ? 1.0344 0.8759 0.8507 -0.0353 0.0492 0.0545 2 ALA H C +17342 O O . ALA G 1 ? 1.0281 0.8659 0.8387 -0.0355 0.0525 0.0556 2 ALA H O +17343 C CB . ALA G 1 ? 0.8538 0.6921 0.6733 -0.0385 0.0476 0.0551 2 ALA H CB +17344 N N . ARG G 2 ? 0.8900 0.7399 0.7145 -0.0352 0.0480 0.0529 3 ARG H N +17345 C CA . ARG G 2 ? 0.8278 0.6827 0.6547 -0.0348 0.0501 0.0521 3 ARG H CA +17346 C C . ARG G 2 ? 0.9387 0.7992 0.7724 -0.0383 0.0539 0.0518 3 ARG H C +17347 O O . ARG G 2 ? 0.8719 0.7368 0.7128 -0.0402 0.0530 0.0510 3 ARG H O +17348 C CB . ARG G 2 ? 0.9175 0.7778 0.7488 -0.0324 0.0464 0.0504 3 ARG H CB +17349 C CG . ARG G 2 ? 1.1126 0.9779 0.9461 -0.0315 0.0481 0.0495 3 ARG H CG +17350 C CD . ARG G 2 ? 1.3190 1.1888 1.1563 -0.0291 0.0441 0.0479 3 ARG H CD +17351 N NE . ARG G 2 ? 1.4643 1.3297 1.2973 -0.0269 0.0399 0.0480 3 ARG H NE +17352 C CZ . ARG G 2 ? 1.5476 1.4098 1.3750 -0.0240 0.0380 0.0478 3 ARG H CZ +17353 N NH1 . ARG G 2 ? 1.2719 1.1303 1.0958 -0.0222 0.0343 0.0479 3 ARG H NH1 +17354 N NH2 . ARG G 2 ? 1.1919 1.0551 1.0173 -0.0229 0.0400 0.0476 3 ARG H NH2 +17355 N N . ARG G 3 ? 0.9211 0.7812 0.7525 -0.0391 0.0582 0.0524 4 ARG H N +17356 C CA . ARG G 3 ? 0.7684 0.6343 0.6064 -0.0423 0.0621 0.0520 4 ARG H CA +17357 C C . ARG G 3 ? 0.7926 0.6669 0.6371 -0.0412 0.0619 0.0503 4 ARG H C +17358 O O . ARG G 3 ? 0.8320 0.7060 0.6735 -0.0382 0.0606 0.0499 4 ARG H O +17359 C CB . ARG G 3 ? 0.8100 0.6712 0.6422 -0.0441 0.0672 0.0535 4 ARG H CB +17360 C CG . ARG G 3 ? 0.9859 0.8396 0.8132 -0.0461 0.0682 0.0551 4 ARG H CG +17361 C CD . ARG G 3 ? 1.1554 1.0044 0.9769 -0.0480 0.0735 0.0566 4 ARG H CD +17362 N NE . ARG G 3 ? 1.2348 1.0909 1.0634 -0.0509 0.0776 0.0559 4 ARG H NE +17363 C CZ . ARG G 3 ? 1.4261 1.2812 1.2518 -0.0520 0.0825 0.0567 4 ARG H CZ +17364 N NH1 . ARG G 3 ? 1.4333 1.2802 1.2486 -0.0506 0.0840 0.0582 4 ARG H NH1 +17365 N NH2 . ARG G 3 ? 1.0576 0.9201 0.8908 -0.0547 0.0860 0.0558 4 ARG H NH2 +17366 N N . THR G 4 ? 0.8077 0.6895 0.6614 -0.0435 0.0629 0.0492 5 THR H N +17367 C CA . THR G 4 ? 0.7838 0.6740 0.6442 -0.0427 0.0632 0.0476 5 THR H CA +17368 C C . THR G 4 ? 0.7396 0.6352 0.6062 -0.0460 0.0674 0.0473 5 THR H C +17369 O O . THR G 4 ? 0.7958 0.6898 0.6633 -0.0492 0.0690 0.0480 5 THR H O +17370 C CB . THR G 4 ? 1.0124 0.9078 0.8791 -0.0412 0.0585 0.0461 5 THR H CB +17371 O OG1 . THR G 4 ? 0.9138 0.8136 0.7879 -0.0441 0.0583 0.0454 5 THR H OG1 +17372 C CG2 . THR G 4 ? 0.8118 0.7016 0.6732 -0.0388 0.0541 0.0464 5 THR H CG2 +17373 N N . TRP G 5 ? 0.8376 0.7396 0.7084 -0.0453 0.0691 0.0462 6 TRP H N +17374 C CA . TRP G 5 ? 0.7687 0.6773 0.6464 -0.0482 0.0729 0.0457 6 TRP H CA +17375 C C . TRP G 5 ? 0.8053 0.7184 0.6910 -0.0509 0.0715 0.0448 6 TRP H C +17376 O O . TRP G 5 ? 0.9396 0.8537 0.8280 -0.0544 0.0744 0.0452 6 TRP H O +17377 C CB . TRP G 5 ? 0.8749 0.7903 0.7566 -0.0461 0.0738 0.0443 6 TRP H CB +17378 C CG . TRP G 5 ? 1.2196 1.1442 1.1111 -0.0484 0.0759 0.0430 6 TRP H CG +17379 C CD1 . TRP G 5 ? 1.1462 1.0734 1.0402 -0.0513 0.0808 0.0432 6 TRP H CD1 +17380 C CD2 . TRP G 5 ? 1.1611 1.0938 1.0615 -0.0478 0.0731 0.0412 6 TRP H CD2 +17381 N NE1 . TRP G 5 ? 1.4560 1.3927 1.3602 -0.0526 0.0810 0.0416 6 TRP H NE1 +17382 C CE2 . TRP G 5 ? 1.3317 1.2717 1.2397 -0.0504 0.0763 0.0404 6 TRP H CE2 +17383 C CE3 . TRP G 5 ? 1.4042 1.3385 1.3066 -0.0454 0.0683 0.0402 6 TRP H CE3 +17384 C CZ2 . TRP G 5 ? 1.3993 1.3481 1.3167 -0.0505 0.0747 0.0386 6 TRP H CZ2 +17385 C CZ3 . TRP G 5 ? 1.5023 1.4450 1.4139 -0.0455 0.0668 0.0386 6 TRP H CZ3 +17386 C CH2 . TRP G 5 ? 1.3925 1.3423 1.3114 -0.0480 0.0699 0.0377 6 TRP H CH2 +17387 N N . LEU G 6 ? 0.8379 0.7537 0.7273 -0.0493 0.0669 0.0438 7 LEU H N +17388 C CA . LEU G 6 ? 0.7900 0.7101 0.6868 -0.0517 0.0653 0.0429 7 LEU H CA +17389 C C . LEU G 6 ? 0.7830 0.6963 0.6759 -0.0538 0.0647 0.0442 7 LEU H C +17390 O O . LEU G 6 ? 0.7783 0.6935 0.6756 -0.0571 0.0659 0.0440 7 LEU H O +17391 C CB . LEU G 6 ? 0.8935 0.8181 0.7949 -0.0493 0.0607 0.0415 7 LEU H CB +17392 C CG . LEU G 6 ? 1.0202 0.9500 0.9296 -0.0513 0.0587 0.0403 7 LEU H CG +17393 C CD1 . LEU G 6 ? 0.8667 0.8052 0.7845 -0.0532 0.0612 0.0391 7 LEU H CD1 +17394 C CD2 . LEU G 6 ? 0.8717 0.8029 0.7827 -0.0486 0.0538 0.0394 7 LEU H CD2 +17395 N N . GLY G 7 ? 0.8050 0.7103 0.6896 -0.0518 0.0630 0.0454 8 GLY H N +17396 C CA . GLY G 7 ? 0.8602 0.7583 0.7402 -0.0536 0.0628 0.0467 8 GLY H CA +17397 C C . GLY G 7 ? 0.9337 0.8293 0.8120 -0.0571 0.0677 0.0478 8 GLY H C +17398 O O . GLY G 7 ? 0.9050 0.7990 0.7847 -0.0601 0.0683 0.0481 8 GLY H O +17399 N N . ASP G 8 ? 0.8913 0.7865 0.7665 -0.0568 0.0715 0.0483 9 ASP H N +17400 C CA . ASP G 8 ? 0.8779 0.7708 0.7514 -0.0602 0.0765 0.0494 9 ASP H CA +17401 C C . ASP G 8 ? 0.8465 0.7472 0.7297 -0.0639 0.0784 0.0482 9 ASP H C +17402 O O . ASP G 8 ? 0.8591 0.7575 0.7423 -0.0676 0.0811 0.0489 9 ASP H O +17403 C CB . ASP G 8 ? 0.7985 0.6904 0.6674 -0.0591 0.0804 0.0500 9 ASP H CB +17404 C CG . ASP G 8 ? 0.8119 0.6957 0.6705 -0.0557 0.0790 0.0513 9 ASP H CG +17405 O OD1 . ASP G 8 ? 0.9420 0.8189 0.7952 -0.0548 0.0762 0.0521 9 ASP H OD1 +17406 O OD2 . ASP G 8 ? 0.9914 0.8756 0.8471 -0.0538 0.0808 0.0513 9 ASP H OD2 +17407 N N . ILE G 9 ? 0.8209 0.7308 0.7124 -0.0630 0.0770 0.0463 10 ILE H N +17408 C CA . ILE G 9 ? 0.8424 0.7605 0.7437 -0.0662 0.0784 0.0450 10 ILE H CA +17409 C C . ILE G 9 ? 0.8826 0.7993 0.7864 -0.0683 0.0757 0.0448 10 ILE H C +17410 O O . ILE G 9 ? 0.9394 0.8586 0.8479 -0.0722 0.0778 0.0444 10 ILE H O +17411 C CB . ILE G 9 ? 1.0191 0.9469 0.9281 -0.0641 0.0769 0.0431 10 ILE H CB +17412 C CG1 . ILE G 9 ? 1.0812 1.0111 0.9888 -0.0627 0.0804 0.0431 10 ILE H CG1 +17413 C CG2 . ILE G 9 ? 1.0013 0.9373 0.9205 -0.0670 0.0770 0.0415 10 ILE H CG2 +17414 C CD1 . ILE G 9 ? 1.1499 1.0883 1.0639 -0.0601 0.0788 0.0413 10 ILE H CD1 +17415 N N . LEU G 10 ? 0.7971 0.7103 0.6981 -0.0659 0.0712 0.0449 11 LEU H N +17416 C CA . LEU G 10 ? 0.8026 0.7153 0.7066 -0.0677 0.0685 0.0445 11 LEU H CA +17417 C C . LEU G 10 ? 0.7777 0.6807 0.6744 -0.0693 0.0692 0.0462 11 LEU H C +17418 O O . LEU G 10 ? 0.7792 0.6812 0.6781 -0.0712 0.0676 0.0459 11 LEU H O +17419 C CB . LEU G 10 ? 0.7234 0.6378 0.6290 -0.0644 0.0633 0.0435 11 LEU H CB +17420 C CG . LEU G 10 ? 0.9195 0.8436 0.8330 -0.0630 0.0620 0.0417 11 LEU H CG +17421 C CD1 . LEU G 10 ? 0.7550 0.6794 0.6683 -0.0594 0.0572 0.0410 11 LEU H CD1 +17422 C CD2 . LEU G 10 ? 0.8004 0.7319 0.7231 -0.0662 0.0627 0.0403 11 LEU H CD2 +17423 N N . ARG G 11 ? 0.8455 0.7413 0.7335 -0.0685 0.0716 0.0479 12 ARG H N +17424 C CA . ARG G 11 ? 0.8609 0.7466 0.7409 -0.0696 0.0722 0.0497 12 ARG H CA +17425 C C . ARG G 11 ? 0.8477 0.7325 0.7306 -0.0740 0.0737 0.0497 12 ARG H C +17426 O O . ARG G 11 ? 0.9210 0.8003 0.8009 -0.0742 0.0713 0.0502 12 ARG H O +17427 C CB . ARG G 11 ? 1.0164 0.8962 0.8882 -0.0692 0.0761 0.0513 12 ARG H CB +17428 C CG . ARG G 11 ? 1.3269 1.1971 1.1882 -0.0661 0.0742 0.0529 12 ARG H CG +17429 C CD . ARG G 11 ? 0.9498 0.8113 0.8056 -0.0678 0.0742 0.0543 12 ARG H CD +17430 N NE . ARG G 11 ? 1.3511 1.2134 1.2103 -0.0674 0.0698 0.0534 12 ARG H NE +17431 C CZ . ARG G 11 ? 1.1580 1.0160 1.0128 -0.0641 0.0656 0.0537 12 ARG H CZ +17432 N NH1 . ARG G 11 ? 0.8772 0.7299 0.7242 -0.0608 0.0650 0.0547 12 ARG H NH1 +17433 N NH2 . ARG G 11 ? 0.9054 0.7647 0.7640 -0.0640 0.0620 0.0528 12 ARG H NH2 +17434 N N . PRO G 12 ? 1.0113 0.9013 0.8999 -0.0777 0.0775 0.0491 13 PRO H N +17435 C CA . PRO G 12 ? 0.8740 0.7625 0.7650 -0.0821 0.0788 0.0491 13 PRO H CA +17436 C C . PRO G 12 ? 0.8669 0.7581 0.7631 -0.0823 0.0745 0.0478 13 PRO H C +17437 O O . PRO G 12 ? 0.9225 0.8089 0.8173 -0.0847 0.0743 0.0482 13 PRO H O +17438 C CB . PRO G 12 ? 0.7904 0.6865 0.6884 -0.0855 0.0832 0.0482 13 PRO H CB +17439 C CG . PRO G 12 ? 0.9721 0.8690 0.8669 -0.0831 0.0855 0.0487 13 PRO H CG +17440 C CD . PRO G 12 ? 0.7661 0.6629 0.6587 -0.0781 0.0810 0.0485 13 PRO H CD +17441 N N . LEU G 13 ? 0.8854 0.7838 0.7875 -0.0797 0.0711 0.0462 14 LEU H N +17442 C CA . LEU G 13 ? 0.7397 0.6412 0.6471 -0.0800 0.0672 0.0449 14 LEU H CA +17443 C C . LEU G 13 ? 0.8384 0.7322 0.7395 -0.0777 0.0636 0.0457 14 LEU H C +17444 O O . LEU G 13 ? 0.7910 0.6856 0.6953 -0.0783 0.0607 0.0449 14 LEU H O +17445 C CB . LEU G 13 ? 0.9062 0.8174 0.8213 -0.0778 0.0648 0.0430 14 LEU H CB +17446 C CG . LEU G 13 ? 0.8897 0.8098 0.8125 -0.0800 0.0679 0.0418 14 LEU H CG +17447 C CD1 . LEU G 13 ? 0.7851 0.7141 0.7146 -0.0773 0.0651 0.0401 14 LEU H CD1 +17448 C CD2 . LEU G 13 ? 0.8068 0.7287 0.7346 -0.0848 0.0694 0.0412 14 LEU H CD2 +17449 N N . ASN G 14 ? 0.7937 0.6800 0.6859 -0.0752 0.0637 0.0474 15 ASN H N +17450 C CA . ASN G 14 ? 0.9168 0.7956 0.8029 -0.0731 0.0604 0.0482 15 ASN H CA +17451 C C . ASN G 14 ? 0.9062 0.7746 0.7827 -0.0738 0.0629 0.0503 15 ASN H C +17452 O O . ASN G 14 ? 0.9208 0.7828 0.7897 -0.0707 0.0614 0.0515 15 ASN H O +17453 C CB . ASN G 14 ? 0.7726 0.6523 0.6569 -0.0684 0.0568 0.0479 15 ASN H CB +17454 C CG . ASN G 14 ? 0.7300 0.6041 0.6105 -0.0663 0.0528 0.0482 15 ASN H CG +17455 O OD1 . ASN G 14 ? 0.8167 0.6902 0.6996 -0.0681 0.0515 0.0478 15 ASN H OD1 +17456 N ND2 . ASN G 14 ? 0.7354 0.6055 0.6099 -0.0626 0.0508 0.0490 15 ASN H ND2 +17457 N N . SER G 15 ? 0.8418 0.7081 0.7183 -0.0779 0.0666 0.0508 16 SER H N +17458 C CA . SER G 15 ? 0.8494 0.7058 0.7167 -0.0789 0.0695 0.0529 16 SER H CA +17459 C C . SER G 15 ? 0.9394 0.7893 0.8044 -0.0819 0.0699 0.0535 16 SER H C +17460 O O . SER G 15 ? 0.8865 0.7270 0.7429 -0.0824 0.0720 0.0554 16 SER H O +17461 C CB . SER G 15 ? 0.9313 0.7895 0.7986 -0.0811 0.0748 0.0534 16 SER H CB +17462 O OG . SER G 15 ? 0.9824 0.8466 0.8577 -0.0856 0.0772 0.0523 16 SER H OG +17463 N N . GLU G 16 ? 0.8974 0.7514 0.7692 -0.0837 0.0680 0.0521 17 GLU H N +17464 C CA . GLU G 16 ? 0.8737 0.7220 0.7439 -0.0869 0.0685 0.0524 17 GLU H CA +17465 C C . GLU G 16 ? 0.8123 0.6569 0.6808 -0.0846 0.0639 0.0522 17 GLU H C +17466 O O . GLU G 16 ? 0.8079 0.6514 0.6786 -0.0871 0.0632 0.0516 17 GLU H O +17467 C CB . GLU G 16 ? 0.8532 0.7086 0.7324 -0.0916 0.0705 0.0509 17 GLU H CB +17468 C CG . GLU G 16 ? 1.0409 0.9002 0.9221 -0.0938 0.0754 0.0511 17 GLU H CG +17469 C CD . GLU G 16 ? 1.1234 0.9882 1.0123 -0.0990 0.0780 0.0499 17 GLU H CD +17470 O OE1 . GLU G 16 ? 1.1015 0.9760 0.9997 -0.0994 0.0762 0.0479 17 GLU H OE1 +17471 O OE2 . GLU G 16 ? 1.5449 1.4040 1.4303 -0.1027 0.0817 0.0509 17 GLU H OE2 +17472 N N . TYR G 17 ? 0.8467 0.6893 0.7109 -0.0800 0.0608 0.0526 18 TYR H N +17473 C CA . TYR G 17 ? 0.9365 0.7749 0.7983 -0.0777 0.0566 0.0525 18 TYR H CA +17474 C C . TYR G 17 ? 0.8813 0.7105 0.7375 -0.0800 0.0577 0.0536 18 TYR H C +17475 O O . TYR G 17 ? 0.9327 0.7543 0.7815 -0.0806 0.0606 0.0554 18 TYR H O +17476 C CB . TYR G 17 ? 0.8539 0.6890 0.7096 -0.0726 0.0540 0.0533 18 TYR H CB +17477 C CG . TYR G 17 ? 0.9483 0.7799 0.8021 -0.0701 0.0497 0.0531 18 TYR H CG +17478 C CD1 . TYR G 17 ? 0.9032 0.7417 0.7641 -0.0691 0.0462 0.0513 18 TYR H CD1 +17479 C CD2 . TYR G 17 ? 0.9280 0.7495 0.7728 -0.0685 0.0490 0.0546 18 TYR H CD2 +17480 C CE1 . TYR G 17 ? 0.9855 0.8211 0.8448 -0.0668 0.0425 0.0510 18 TYR H CE1 +17481 C CE2 . TYR G 17 ? 0.8198 0.6385 0.6632 -0.0661 0.0451 0.0543 18 TYR H CE2 +17482 C CZ . TYR G 17 ? 1.0841 0.9101 0.9350 -0.0653 0.0419 0.0525 18 TYR H CZ +17483 O OH . TYR G 17 ? 0.9750 0.7986 0.8247 -0.0629 0.0382 0.0521 18 TYR H OH +17484 N N . GLY G 18 ? 0.8027 0.6324 0.6625 -0.0812 0.0556 0.0526 19 GLY H N +17485 C CA . GLY G 18 ? 0.8386 0.6591 0.6929 -0.0828 0.0560 0.0535 19 GLY H CA +17486 C C . GLY G 18 ? 0.9028 0.7219 0.7587 -0.0882 0.0599 0.0535 19 GLY H C +17487 O O . GLY G 18 ? 0.8962 0.7080 0.7484 -0.0899 0.0601 0.0540 19 GLY H O +17488 N N . LYS G 19 ? 0.9502 0.7762 0.8118 -0.0910 0.0630 0.0529 20 LYS H N +17489 C CA . LYS G 19 ? 0.8436 0.6689 0.7071 -0.0964 0.0669 0.0529 20 LYS H CA +17490 C C . LYS G 19 ? 0.9590 0.7882 0.8296 -0.0990 0.0650 0.0510 20 LYS H C +17491 O O . LYS G 19 ? 0.9448 0.7833 0.8235 -0.0984 0.0627 0.0492 20 LYS H O +17492 C CB . LYS G 19 ? 0.9844 0.8170 0.8527 -0.0984 0.0706 0.0526 20 LYS H CB +17493 C CG . LYS G 19 ? 1.1699 1.0017 1.0399 -0.1041 0.0752 0.0527 20 LYS H CG +17494 C CD . LYS G 19 ? 1.3344 1.1679 1.2035 -0.1053 0.0799 0.0536 20 LYS H CD +17495 C CE . LYS G 19 ? 1.9095 1.7386 1.7771 -0.1109 0.0849 0.0543 20 LYS H CE +17496 N NZ . LYS G 19 ? 1.5914 1.4068 1.4482 -0.1113 0.0859 0.0564 20 LYS H NZ +17497 N N . VAL G 20 ? 0.8769 0.6985 0.7440 -0.1020 0.0661 0.0515 21 VAL H N +17498 C CA . VAL G 20 ? 0.8724 0.6964 0.7452 -0.1049 0.0646 0.0498 21 VAL H CA +17499 C C . VAL G 20 ? 0.8385 0.6616 0.7131 -0.1108 0.0688 0.0497 21 VAL H C +17500 O O . VAL G 20 ? 0.9371 0.7550 0.8067 -0.1127 0.0729 0.0513 21 VAL H O +17501 C CB . VAL G 20 ? 0.8764 0.6921 0.7436 -0.1029 0.0614 0.0502 21 VAL H CB +17502 C CG1 . VAL G 20 ? 0.8521 0.6707 0.7197 -0.0975 0.0568 0.0497 21 VAL H CG1 +17503 C CG2 . VAL G 20 ? 0.8453 0.6483 0.7014 -0.1029 0.0636 0.0525 21 VAL H CG2 +17504 N N . ALA G 21 ? 0.9894 0.8174 0.8713 -0.1139 0.0678 0.0478 22 ALA H N +17505 C CA . ALA G 21 ? 0.9025 0.7288 0.7864 -0.1197 0.0707 0.0473 22 ALA H CA +17506 C C . ALA G 21 ? 1.1494 0.9644 1.0262 -0.1203 0.0697 0.0480 22 ALA H C +17507 O O . ALA G 21 ? 1.0265 0.8394 0.9016 -0.1169 0.0656 0.0477 22 ALA H O +17508 C CB . ALA G 21 ? 0.8146 0.6521 0.7099 -0.1223 0.0695 0.0446 22 ALA H CB +17509 N N . PRO G 22 ? 1.2173 1.0248 1.0898 -0.1245 0.0735 0.0490 23 PRO H N +17510 C CA . PRO G 22 ? 1.0164 0.8121 0.8812 -0.1250 0.0728 0.0499 23 PRO H CA +17511 C C . PRO G 22 ? 0.7989 0.5972 0.6690 -0.1261 0.0694 0.0477 23 PRO H C +17512 O O . PRO G 22 ? 0.9064 0.7139 0.7858 -0.1291 0.0692 0.0457 23 PRO H O +17513 C CB . PRO G 22 ? 0.9335 0.7228 0.7947 -0.1303 0.0780 0.0510 23 PRO H CB +17514 C CG . PRO G 22 ? 1.1313 0.9267 0.9951 -0.1310 0.0815 0.0515 23 PRO H CG +17515 C CD . PRO G 22 ? 1.0371 0.8459 0.9107 -0.1288 0.0787 0.0496 23 PRO H CD +17516 N N . GLY G 23 ? 0.9141 0.7041 0.7779 -0.1234 0.0665 0.0483 24 GLY H N +17517 C CA . GLY G 23 ? 0.8520 0.6415 0.7185 -0.1248 0.0639 0.0466 24 GLY H CA +17518 C C . GLY G 23 ? 1.0824 0.8835 0.9585 -0.1235 0.0602 0.0442 24 GLY H C +17519 O O . GLY G 23 ? 1.0213 0.8278 0.8991 -0.1189 0.0577 0.0441 24 GLY H O +17520 N N . TRP G 24 ? 0.9436 0.7484 0.8260 -0.1274 0.0598 0.0422 25 TRP H N +17521 C CA . TRP G 24 ? 0.8205 0.6358 0.7119 -0.1267 0.0563 0.0397 25 TRP H CA +17522 C C . TRP G 24 ? 0.8901 0.7176 0.7905 -0.1280 0.0576 0.0387 25 TRP H C +17523 O O . TRP G 24 ? 0.9012 0.7380 0.8085 -0.1261 0.0546 0.0370 25 TRP H O +17524 C CB . TRP G 24 ? 0.7807 0.5945 0.6747 -0.1305 0.0553 0.0379 25 TRP H CB +17525 C CG . TRP G 24 ? 0.9397 0.7432 0.8263 -0.1284 0.0530 0.0385 25 TRP H CG +17526 C CD1 . TRP G 24 ? 0.8902 0.6818 0.7689 -0.1304 0.0548 0.0397 25 TRP H CD1 +17527 C CD2 . TRP G 24 ? 1.0514 0.8556 0.9378 -0.1239 0.0485 0.0377 25 TRP H CD2 +17528 N NE1 . TRP G 24 ? 0.9510 0.7359 0.8245 -0.1271 0.0516 0.0397 25 TRP H NE1 +17529 C CE2 . TRP G 24 ? 1.1097 0.9024 0.9880 -0.1232 0.0478 0.0385 25 TRP H CE2 +17530 C CE3 . TRP G 24 ? 0.9882 0.8016 0.8804 -0.1204 0.0451 0.0365 25 TRP H CE3 +17531 C CZ2 . TRP G 24 ? 1.1170 0.9075 0.9932 -0.1191 0.0438 0.0380 25 TRP H CZ2 +17532 C CZ3 . TRP G 24 ? 1.1577 0.9686 1.0475 -0.1164 0.0412 0.0361 25 TRP H CZ3 +17533 C CH2 . TRP G 24 ? 0.9754 0.7752 0.8575 -0.1158 0.0406 0.0368 25 TRP H CH2 +17534 N N . GLY G 25 ? 0.9109 0.7387 0.8112 -0.1309 0.0620 0.0396 26 GLY H N +17535 C CA . GLY G 25 ? 0.7095 0.5488 0.6180 -0.1318 0.0634 0.0387 26 GLY H CA +17536 C C . GLY G 25 ? 0.8891 0.7385 0.8079 -0.1340 0.0613 0.0358 26 GLY H C +17537 O O . GLY G 25 ? 0.9711 0.8191 0.8920 -0.1381 0.0615 0.0346 26 GLY H O +17538 N N . THR G 26 ? 0.8813 0.7408 0.8064 -0.1310 0.0590 0.0348 27 THR H N +17539 C CA . THR G 26 ? 0.7739 0.6441 0.7091 -0.1325 0.0570 0.0321 27 THR H CA +17540 C C . THR G 26 ? 0.8657 0.7361 0.8017 -0.1299 0.0520 0.0308 27 THR H C +17541 O O . THR G 26 ? 0.8609 0.7403 0.8047 -0.1301 0.0497 0.0287 27 THR H O +17542 C CB . THR G 26 ? 0.9677 0.8488 0.9094 -0.1308 0.0574 0.0316 27 THR H CB +17543 O OG1 . THR G 26 ? 0.8471 0.7262 0.7837 -0.1254 0.0564 0.0332 27 THR H OG1 +17544 C CG2 . THR G 26 ? 0.8365 0.7202 0.7807 -0.1348 0.0623 0.0319 27 THR H CG2 +17545 N N . THR G 27 ? 0.8353 0.6959 0.7632 -0.1275 0.0505 0.0320 28 THR H N +17546 C CA . THR G 27 ? 0.7535 0.6138 0.6817 -0.1251 0.0460 0.0309 28 THR H CA +17547 C C . THR G 27 ? 0.8416 0.7062 0.7762 -0.1287 0.0446 0.0284 28 THR H C +17548 O O . THR G 27 ? 0.9620 0.8325 0.9011 -0.1266 0.0410 0.0268 28 THR H O +17549 C CB . THR G 27 ? 0.8208 0.6687 0.7391 -0.1231 0.0453 0.0325 28 THR H CB +17550 O OG1 . THR G 27 ? 0.8380 0.6819 0.7501 -0.1196 0.0464 0.0347 28 THR H OG1 +17551 C CG2 . THR G 27 ? 0.7305 0.5782 0.6488 -0.1200 0.0407 0.0313 28 THR H CG2 +17552 N N . PRO G 28 ? 1.0630 0.9247 0.9983 -0.1341 0.0471 0.0279 29 PRO H N +17553 C CA . PRO G 28 ? 1.0595 0.9254 1.0008 -0.1373 0.0452 0.0253 29 PRO H CA +17554 C C . PRO G 28 ? 0.8697 0.7490 0.8214 -0.1377 0.0442 0.0233 29 PRO H C +17555 O O . PRO G 28 ? 0.8251 0.7094 0.7816 -0.1376 0.0409 0.0213 29 PRO H O +17556 C CB . PRO G 28 ? 1.0933 0.9529 1.0327 -0.1431 0.0487 0.0255 29 PRO H CB +17557 C CG . PRO G 28 ? 0.9943 0.8430 0.9238 -0.1418 0.0512 0.0283 29 PRO H CG +17558 C CD . PRO G 28 ? 0.9642 0.8174 0.8936 -0.1374 0.0513 0.0296 29 PRO H CD +17559 N N . LEU G 29 ? 0.7512 0.6361 0.7060 -0.1382 0.0471 0.0239 30 LEU H N +17560 C CA . LEU G 29 ? 0.9265 0.8242 0.8908 -0.1378 0.0461 0.0222 30 LEU H CA +17561 C C . LEU G 29 ? 0.9651 0.8667 0.9299 -0.1321 0.0420 0.0220 30 LEU H C +17562 O O . LEU G 29 ? 0.9141 0.8238 0.8855 -0.1315 0.0392 0.0199 30 LEU H O +17563 C CB . LEU G 29 ? 0.8532 0.7554 0.8199 -0.1392 0.0502 0.0230 30 LEU H CB +17564 C CG . LEU G 29 ? 1.0722 0.9878 1.0490 -0.1392 0.0496 0.0211 30 LEU H CG +17565 C CD1 . LEU G 29 ? 0.9172 0.8382 0.9015 -0.1440 0.0491 0.0186 30 LEU H CD1 +17566 C CD2 . LEU G 29 ? 1.1296 1.0490 1.1078 -0.1395 0.0536 0.0223 30 LEU H CD2 +17567 N N . MET G 30 ? 0.7767 0.6722 0.7343 -0.1278 0.0417 0.0240 31 MET H N +17568 C CA . MET G 30 ? 0.8897 0.7875 0.8468 -0.1225 0.0380 0.0240 31 MET H CA +17569 C C . MET G 30 ? 0.8619 0.7593 0.8201 -0.1222 0.0341 0.0223 31 MET H C +17570 O O . MET G 30 ? 0.7397 0.6439 0.7024 -0.1197 0.0310 0.0210 31 MET H O +17571 C CB . MET G 30 ? 0.8824 0.7722 0.8309 -0.1186 0.0382 0.0264 31 MET H CB +17572 C CG . MET G 30 ? 0.7641 0.6569 0.7125 -0.1131 0.0347 0.0264 31 MET H CG +17573 S SD . MET G 30 ? 0.8076 0.6907 0.7458 -0.1086 0.0346 0.0290 31 MET H SD +17574 C CE . MET G 30 ? 0.7486 0.6224 0.6816 -0.1091 0.0326 0.0287 31 MET H CE +17575 N N . ALA G 31 ? 0.8411 0.7300 0.7948 -0.1245 0.0343 0.0224 32 ALA H N +17576 C CA . ALA G 31 ? 0.7947 0.6822 0.7486 -0.1240 0.0307 0.0208 32 ALA H CA +17577 C C . ALA G 31 ? 0.8554 0.7523 0.8182 -0.1266 0.0291 0.0182 32 ALA H C +17578 O O . ALA G 31 ? 0.7977 0.6976 0.7626 -0.1246 0.0255 0.0167 32 ALA H O +17579 C CB . ALA G 31 ? 0.7586 0.6349 0.7058 -0.1263 0.0315 0.0214 32 ALA H CB +17580 N N . VAL G 32 ? 0.8450 0.7467 0.8130 -0.1308 0.0318 0.0175 33 VAL H N +17581 C CA . VAL G 32 ? 0.8390 0.7501 0.8158 -0.1333 0.0304 0.0148 33 VAL H CA +17582 C C . VAL G 32 ? 0.7893 0.7103 0.7715 -0.1294 0.0280 0.0141 33 VAL H C +17583 O O . VAL G 32 ? 0.8115 0.7377 0.7980 -0.1287 0.0247 0.0121 33 VAL H O +17584 C CB . VAL G 32 ? 0.8896 0.8038 0.8710 -0.1388 0.0341 0.0143 33 VAL H CB +17585 C CG1 . VAL G 32 ? 0.8425 0.7685 0.8340 -0.1407 0.0327 0.0116 33 VAL H CG1 +17586 C CG2 . VAL G 32 ? 0.8503 0.7551 0.8271 -0.1431 0.0356 0.0144 33 VAL H CG2 +17587 N N . PHE G 33 ? 0.7997 0.7229 0.7812 -0.1268 0.0297 0.0156 34 PHE H N +17588 C CA . PHE G 33 ? 0.8097 0.7416 0.7957 -0.1230 0.0276 0.0151 34 PHE H CA +17589 C C . PHE G 33 ? 0.7079 0.6375 0.6907 -0.1185 0.0236 0.0150 34 PHE H C +17590 O O . PHE G 33 ? 0.7254 0.6618 0.7128 -0.1167 0.0207 0.0135 34 PHE H O +17591 C CB . PHE G 33 ? 0.8218 0.7554 0.8069 -0.1211 0.0304 0.0168 34 PHE H CB +17592 C CG . PHE G 33 ? 0.8244 0.7647 0.8157 -0.1247 0.0336 0.0162 34 PHE H CG +17593 C CD1 . PHE G 33 ? 0.8817 0.8330 0.8818 -0.1252 0.0324 0.0141 34 PHE H CD1 +17594 C CD2 . PHE G 33 ? 1.0281 0.9636 1.0163 -0.1277 0.0379 0.0176 34 PHE H CD2 +17595 C CE1 . PHE G 33 ? 1.0181 0.9760 1.0243 -0.1284 0.0354 0.0134 34 PHE H CE1 +17596 C CE2 . PHE G 33 ? 0.9059 0.8478 0.8999 -0.1311 0.0411 0.0170 34 PHE H CE2 +17597 C CZ . PHE G 33 ? 0.9693 0.9226 0.9725 -0.1315 0.0398 0.0148 34 PHE H CZ +17598 N N . MET G 34 ? 0.7644 0.6842 0.7391 -0.1167 0.0236 0.0167 35 MET H N +17599 C CA . MET G 34 ? 0.8568 0.7738 0.8282 -0.1129 0.0200 0.0166 35 MET H CA +17600 C C . MET G 34 ? 0.7879 0.7068 0.7624 -0.1144 0.0170 0.0143 35 MET H C +17601 O O . MET G 34 ? 0.8664 0.7894 0.8431 -0.1116 0.0139 0.0133 35 MET H O +17602 C CB . MET G 34 ? 0.7065 0.6124 0.6689 -0.1114 0.0207 0.0186 35 MET H CB +17603 C CG . MET G 34 ? 0.9138 0.8181 0.8724 -0.1086 0.0226 0.0208 35 MET H CG +17604 S SD . MET G 34 ? 0.9099 0.8016 0.8579 -0.1062 0.0229 0.0231 35 MET H SD +17605 C CE . MET G 34 ? 0.8675 0.7585 0.8147 -0.1029 0.0183 0.0219 35 MET H CE +17606 N N . GLY G 35 ? 0.8064 0.7220 0.7811 -0.1188 0.0181 0.0135 36 GLY H N +17607 C CA . GLY G 35 ? 0.6884 0.6055 0.6660 -0.1205 0.0153 0.0112 36 GLY H CA +17608 C C . GLY G 35 ? 0.8151 0.7437 0.8013 -0.1207 0.0136 0.0091 36 GLY H C +17609 O O . GLY G 35 ? 0.8131 0.7445 0.8011 -0.1191 0.0101 0.0076 36 GLY H O +17610 N N . LEU G 36 ? 0.6699 0.6051 0.6614 -0.1226 0.0159 0.0090 37 LEU H N +17611 C CA . LEU G 36 ? 0.8069 0.7532 0.8067 -0.1225 0.0143 0.0071 37 LEU H CA +17612 C C . LEU G 36 ? 0.9231 0.8729 0.9227 -0.1170 0.0117 0.0074 37 LEU H C +17613 O O . LEU G 36 ? 0.7233 0.6790 0.7270 -0.1158 0.0086 0.0056 37 LEU H O +17614 C CB . LEU G 36 ? 0.8267 0.7792 0.8318 -0.1251 0.0176 0.0071 37 LEU H CB +17615 C CG . LEU G 36 ? 0.8654 0.8159 0.8719 -0.1310 0.0205 0.0066 37 LEU H CG +17616 C CD1 . LEU G 36 ? 0.9483 0.9052 0.9598 -0.1329 0.0240 0.0068 37 LEU H CD1 +17617 C CD2 . LEU G 36 ? 0.8958 0.8498 0.9071 -0.1338 0.0179 0.0039 37 LEU H CD2 +17618 N N . PHE G 37 ? 0.7243 0.6703 0.7189 -0.1138 0.0129 0.0096 38 PHE H N +17619 C CA . PHE G 37 ? 0.6596 0.6082 0.6535 -0.1087 0.0107 0.0101 38 PHE H CA +17620 C C . PHE G 37 ? 0.7567 0.7020 0.7477 -0.1065 0.0071 0.0094 38 PHE H C +17621 O O . PHE G 37 ? 0.7236 0.6739 0.7170 -0.1037 0.0044 0.0084 38 PHE H O +17622 C CB . PHE G 37 ? 0.8097 0.7540 0.7984 -0.1062 0.0129 0.0126 38 PHE H CB +17623 C CG . PHE G 37 ? 0.8044 0.7527 0.7934 -0.1014 0.0113 0.0131 38 PHE H CG +17624 C CD1 . PHE G 37 ? 0.8154 0.7731 0.8110 -0.1006 0.0102 0.0117 38 PHE H CD1 +17625 C CD2 . PHE G 37 ? 0.8433 0.7858 0.8260 -0.0978 0.0110 0.0148 38 PHE H CD2 +17626 C CE1 . PHE G 37 ? 0.7663 0.7273 0.7619 -0.0963 0.0089 0.0121 38 PHE H CE1 +17627 C CE2 . PHE G 37 ? 0.8576 0.8038 0.8407 -0.0937 0.0096 0.0152 38 PHE H CE2 +17628 C CZ . PHE G 37 ? 0.7314 0.6865 0.7207 -0.0930 0.0086 0.0139 38 PHE H CZ +17629 N N . LEU G 38 ? 0.7153 0.6519 0.7008 -0.1077 0.0072 0.0099 39 LEU H N +17630 C CA . LEU G 38 ? 0.8298 0.7630 0.8125 -0.1059 0.0040 0.0091 39 LEU H CA +17631 C C . LEU G 38 ? 0.8566 0.7961 0.8451 -0.1073 0.0014 0.0065 39 LEU H C +17632 O O . LEU G 38 ? 0.7977 0.7393 0.7864 -0.1045 -0.0017 0.0057 39 LEU H O +17633 C CB . LEU G 38 ? 0.6941 0.6170 0.6703 -0.1073 0.0048 0.0098 39 LEU H CB +17634 C CG . LEU G 38 ? 0.9524 0.8706 0.9250 -0.1057 0.0018 0.0091 39 LEU H CG +17635 C CD1 . LEU G 38 ? 1.0056 0.9133 0.9705 -0.1053 0.0030 0.0107 39 LEU H CD1 +17636 C CD2 . LEU G 38 ? 1.2255 1.1453 1.2015 -0.1092 0.0003 0.0067 39 LEU H CD2 +17637 N N . VAL G 39 ? 0.7032 0.6455 0.6960 -0.1118 0.0025 0.0052 40 VAL H N +17638 C CA . VAL G 39 ? 0.7590 0.7074 0.7574 -0.1132 -0.0002 0.0026 40 VAL H CA +17639 C C . VAL G 39 ? 0.6831 0.6411 0.6868 -0.1104 -0.0017 0.0020 40 VAL H C +17640 O O . VAL G 39 ? 0.7272 0.6890 0.7332 -0.1089 -0.0050 0.0003 40 VAL H O +17641 C CB . VAL G 39 ? 0.8559 0.8058 0.8583 -0.1188 0.0013 0.0012 40 VAL H CB +17642 C CG1 . VAL G 39 ? 0.6870 0.6442 0.6957 -0.1201 -0.0017 -0.0016 40 VAL H CG1 +17643 C CG2 . VAL G 39 ? 0.7074 0.6471 0.7040 -0.1214 0.0024 0.0017 40 VAL H CG2 +17644 N N . PHE G 40 ? 0.7072 0.6685 0.7124 -0.1094 0.0006 0.0032 41 PHE H N +17645 C CA . PHE G 40 ? 0.7237 0.6937 0.7337 -0.1065 -0.0006 0.0028 41 PHE H CA +17646 C C . PHE G 40 ? 0.7364 0.7050 0.7429 -0.1017 -0.0034 0.0032 41 PHE H C +17647 O O . PHE G 40 ? 0.7713 0.7454 0.7810 -0.0999 -0.0062 0.0018 41 PHE H O +17648 C CB . PHE G 40 ? 0.6561 0.6289 0.6676 -0.1064 0.0027 0.0042 41 PHE H CB +17649 C CG . PHE G 40 ? 0.7805 0.7611 0.7957 -0.1029 0.0017 0.0040 41 PHE H CG +17650 C CD1 . PHE G 40 ? 0.8893 0.8789 0.9117 -0.1035 0.0000 0.0019 41 PHE H CD1 +17651 C CD2 . PHE G 40 ? 0.8845 0.8633 0.8960 -0.0991 0.0023 0.0059 41 PHE H CD2 +17652 C CE1 . PHE G 40 ? 0.9062 0.9026 0.9318 -0.1001 -0.0009 0.0017 41 PHE H CE1 +17653 C CE2 . PHE G 40 ? 0.8399 0.8256 0.8548 -0.0959 0.0014 0.0057 41 PHE H CE2 +17654 C CZ . PHE G 40 ? 0.8278 0.8222 0.8496 -0.0964 -0.0002 0.0036 41 PHE H CZ +17655 N N . LEU G 41 ? 0.7532 0.7144 0.7530 -0.0995 -0.0026 0.0052 42 LEU H N +17656 C CA . LEU G 41 ? 0.7220 0.6813 0.7182 -0.0952 -0.0051 0.0056 42 LEU H CA +17657 C C . LEU G 41 ? 0.7779 0.7360 0.7736 -0.0953 -0.0082 0.0039 42 LEU H C +17658 O O . LEU G 41 ? 0.7362 0.6972 0.7325 -0.0923 -0.0109 0.0033 42 LEU H O +17659 C CB . LEU G 41 ? 0.6693 0.6204 0.6585 -0.0934 -0.0036 0.0079 42 LEU H CB +17660 C CG . LEU G 41 ? 0.7033 0.6551 0.6921 -0.0925 -0.0008 0.0097 42 LEU H CG +17661 C CD1 . LEU G 41 ? 0.7258 0.6693 0.7075 -0.0909 0.0004 0.0117 42 LEU H CD1 +17662 C CD2 . LEU G 41 ? 0.6893 0.6484 0.6815 -0.0893 -0.0018 0.0095 42 LEU H CD2 +17663 N N . LEU G 42 ? 0.7331 0.6867 0.7276 -0.0986 -0.0080 0.0032 43 LEU H N +17664 C CA . LEU G 42 ? 0.6315 0.5839 0.6255 -0.0990 -0.0110 0.0014 43 LEU H CA +17665 C C . LEU G 42 ? 0.6916 0.6529 0.6920 -0.0991 -0.0133 -0.0007 43 LEU H C +17666 O O . LEU G 42 ? 0.7339 0.6962 0.7339 -0.0969 -0.0163 -0.0017 43 LEU H O +17667 C CB . LEU G 42 ? 0.7768 0.7236 0.7692 -0.1031 -0.0101 0.0008 43 LEU H CB +17668 C CG . LEU G 42 ? 0.9393 0.8774 0.9252 -0.1024 -0.0112 0.0010 43 LEU H CG +17669 C CD1 . LEU G 42 ? 0.8844 0.8176 0.8647 -0.0985 -0.0106 0.0032 43 LEU H CD1 +17670 C CD2 . LEU G 42 ? 1.0125 0.9446 0.9965 -0.1067 -0.0094 0.0009 43 LEU H CD2 +17671 N N . ILE G 43 ? 0.6920 0.6598 0.6984 -0.1015 -0.0120 -0.0014 44 ILE H N +17672 C CA . ILE G 43 ? 0.6990 0.6756 0.7119 -0.1017 -0.0142 -0.0035 44 ILE H CA +17673 C C . ILE G 43 ? 0.6280 0.6089 0.6414 -0.0970 -0.0159 -0.0031 44 ILE H C +17674 O O . ILE G 43 ? 0.6787 0.6625 0.6932 -0.0954 -0.0191 -0.0045 44 ILE H O +17675 C CB . ILE G 43 ? 0.6411 0.6239 0.6606 -0.1054 -0.0120 -0.0042 44 ILE H CB +17676 C CG1 . ILE G 43 ? 0.7736 0.7533 0.7936 -0.1104 -0.0113 -0.0054 44 ILE H CG1 +17677 C CG2 . ILE G 43 ? 0.6984 0.6914 0.7248 -0.1044 -0.0141 -0.0060 44 ILE H CG2 +17678 C CD1 . ILE G 43 ? 0.7273 0.7121 0.7532 -0.1145 -0.0086 -0.0059 44 ILE H CD1 +17679 N N . ILE G 44 ? 0.7140 0.6951 0.7263 -0.0948 -0.0139 -0.0012 45 ILE H N +17680 C CA . ILE G 44 ? 0.7160 0.7011 0.7288 -0.0905 -0.0154 -0.0009 45 ILE H CA +17681 C C . ILE G 44 ? 0.6420 0.6217 0.6490 -0.0874 -0.0175 -0.0004 45 ILE H C +17682 O O . ILE G 44 ? 0.6608 0.6436 0.6684 -0.0845 -0.0200 -0.0010 45 ILE H O +17683 C CB . ILE G 44 ? 0.8225 0.8094 0.8357 -0.0890 -0.0127 0.0009 45 ILE H CB +17684 C CG1 . ILE G 44 ? 0.6316 0.6103 0.6385 -0.0888 -0.0103 0.0031 45 ILE H CG1 +17685 C CG2 . ILE G 44 ? 0.6282 0.6221 0.6480 -0.0917 -0.0108 0.0001 45 ILE H CG2 +17686 C CD1 . ILE G 44 ? 0.6851 0.6651 0.6916 -0.0867 -0.0081 0.0049 45 ILE H CD1 +17687 N N . LEU G 45 ? 0.6006 0.5721 0.6020 -0.0879 -0.0167 0.0006 46 LEU H N +17688 C CA . LEU G 45 ? 0.6715 0.6381 0.6678 -0.0852 -0.0187 0.0009 46 LEU H CA +17689 C C . LEU G 45 ? 0.6519 0.6202 0.6496 -0.0856 -0.0219 -0.0013 46 LEU H C +17690 O O . LEU G 45 ? 0.7227 0.6921 0.7192 -0.0826 -0.0242 -0.0016 46 LEU H O +17691 C CB . LEU G 45 ? 0.7147 0.6724 0.7051 -0.0858 -0.0171 0.0022 46 LEU H CB +17692 C CG . LEU G 45 ? 0.7034 0.6557 0.6887 -0.0835 -0.0192 0.0022 46 LEU H CG +17693 C CD1 . LEU G 45 ? 0.6919 0.6457 0.6758 -0.0793 -0.0201 0.0031 46 LEU H CD1 +17694 C CD2 . LEU G 45 ? 0.6988 0.6425 0.6786 -0.0844 -0.0176 0.0034 46 LEU H CD2 +17695 N N . GLU G 46 ? 0.6734 0.6417 0.6731 -0.0894 -0.0220 -0.0027 47 GLU H N +17696 C CA . GLU G 46 ? 0.7402 0.7089 0.7403 -0.0899 -0.0251 -0.0048 47 GLU H CA +17697 C C . GLU G 46 ? 0.6597 0.6370 0.6652 -0.0889 -0.0274 -0.0065 47 GLU H C +17698 O O . GLU G 46 ? 0.6850 0.6628 0.6898 -0.0876 -0.0304 -0.0078 47 GLU H O +17699 C CB . GLU G 46 ? 0.6621 0.6276 0.6625 -0.0944 -0.0246 -0.0060 47 GLU H CB +17700 C CG . GLU G 46 ? 0.6209 0.5768 0.6147 -0.0947 -0.0230 -0.0045 47 GLU H CG +17701 C CD . GLU G 46 ? 0.7686 0.7200 0.7616 -0.0989 -0.0225 -0.0055 47 GLU H CD +17702 O OE1 . GLU G 46 ? 0.8009 0.7561 0.7979 -0.1015 -0.0240 -0.0076 47 GLU H OE1 +17703 O OE2 . GLU G 46 ? 0.6911 0.6348 0.6791 -0.0994 -0.0208 -0.0042 47 GLU H OE2 +17704 N N . ILE G 47 ? 0.6441 0.6281 0.6548 -0.0892 -0.0262 -0.0063 48 ILE H N +17705 C CA . ILE G 47 ? 0.6447 0.6369 0.6602 -0.0874 -0.0283 -0.0076 48 ILE H CA +17706 C C . ILE G 47 ? 0.6739 0.6653 0.6860 -0.0826 -0.0298 -0.0067 48 ILE H C +17707 O O . ILE G 47 ? 0.6420 0.6360 0.6545 -0.0807 -0.0328 -0.0080 48 ILE H O +17708 C CB . ILE G 47 ? 0.6736 0.6728 0.6952 -0.0886 -0.0262 -0.0075 48 ILE H CB +17709 C CG1 . ILE G 47 ? 0.7547 0.7560 0.7808 -0.0936 -0.0250 -0.0088 48 ILE H CG1 +17710 C CG2 . ILE G 47 ? 0.5852 0.5924 0.6111 -0.0857 -0.0282 -0.0084 48 ILE H CG2 +17711 C CD1 . ILE G 47 ? 0.6977 0.7057 0.7297 -0.0949 -0.0225 -0.0087 48 ILE H CD1 +17712 N N . TYR G 48 ? 0.6828 0.6709 0.6915 -0.0807 -0.0277 -0.0045 49 TYR H N +17713 C CA . TYR G 48 ? 0.6358 0.6226 0.6410 -0.0764 -0.0288 -0.0035 49 TYR H CA +17714 C C . TYR G 48 ? 0.6685 0.6500 0.6688 -0.0753 -0.0310 -0.0040 49 TYR H C +17715 O O . TYR G 48 ? 0.6218 0.6041 0.6206 -0.0722 -0.0331 -0.0042 49 TYR H O +17716 C CB . TYR G 48 ? 0.6203 0.6035 0.6224 -0.0751 -0.0260 -0.0011 49 TYR H CB +17717 C CG . TYR G 48 ? 0.6538 0.6392 0.6552 -0.0711 -0.0263 -0.0001 49 TYR H CG +17718 C CD1 . TYR G 48 ? 0.6374 0.6233 0.6372 -0.0682 -0.0289 -0.0007 49 TYR H CD1 +17719 C CD2 . TYR G 48 ? 0.6506 0.6371 0.6526 -0.0704 -0.0238 0.0014 49 TYR H CD2 +17720 C CE1 . TYR G 48 ? 0.6817 0.6691 0.6805 -0.0647 -0.0290 0.0003 49 TYR H CE1 +17721 C CE2 . TYR G 48 ? 0.6325 0.6206 0.6336 -0.0669 -0.0240 0.0023 49 TYR H CE2 +17722 C CZ . TYR G 48 ? 0.7179 0.7064 0.7175 -0.0641 -0.0266 0.0017 49 TYR H CZ +17723 O OH . TYR G 48 ? 0.6323 0.6221 0.6309 -0.0608 -0.0267 0.0026 49 TYR H OH +17724 N N . ASN G 49 ? 0.6480 0.6240 0.6458 -0.0778 -0.0305 -0.0042 50 ASN H N +17725 C CA . ASN G 49 ? 0.6829 0.6530 0.6756 -0.0770 -0.0322 -0.0046 50 ASN H CA +17726 C C . ASN G 49 ? 0.7084 0.6810 0.7028 -0.0778 -0.0352 -0.0069 50 ASN H C +17727 O O . ASN G 49 ? 0.6950 0.6634 0.6853 -0.0767 -0.0369 -0.0074 50 ASN H O +17728 C CB . ASN G 49 ? 0.6383 0.6011 0.6273 -0.0792 -0.0303 -0.0038 50 ASN H CB +17729 C CG . ASN G 49 ? 0.7517 0.7079 0.7349 -0.0778 -0.0315 -0.0039 50 ASN H CG +17730 O OD1 . ASN G 49 ? 0.7578 0.7110 0.7399 -0.0799 -0.0325 -0.0052 50 ASN H OD1 +17731 N ND2 . ASN G 49 ? 0.6852 0.6389 0.6647 -0.0744 -0.0314 -0.0025 50 ASN H ND2 +17732 N N . SER G 50 ? 0.6470 0.6265 0.6474 -0.0796 -0.0360 -0.0084 51 SER H N +17733 C CA . SER G 50 ? 0.7246 0.7067 0.7271 -0.0809 -0.0389 -0.0109 51 SER H CA +17734 C C . SER G 50 ? 0.7101 0.6866 0.7103 -0.0841 -0.0390 -0.0118 51 SER H C +17735 O O . SER G 50 ? 0.8392 0.8151 0.8385 -0.0845 -0.0417 -0.0135 51 SER H O +17736 C CB . SER G 50 ? 0.6234 0.6063 0.6237 -0.0773 -0.0419 -0.0114 51 SER H CB +17737 O OG . SER G 50 ? 0.8065 0.7958 0.8102 -0.0750 -0.0423 -0.0112 51 SER H OG +17738 N N . THR G 51 ? 0.6994 0.6713 0.6980 -0.0863 -0.0362 -0.0106 52 THR H N +17739 C CA . THR G 51 ? 0.6528 0.6200 0.6501 -0.0899 -0.0359 -0.0115 52 THR H CA +17740 C C . THR G 51 ? 0.8129 0.7851 0.8164 -0.0940 -0.0354 -0.0129 52 THR H C +17741 O O . THR G 51 ? 0.7291 0.6997 0.7330 -0.0972 -0.0363 -0.0146 52 THR H O +17742 C CB . THR G 51 ? 0.7670 0.7262 0.7591 -0.0900 -0.0332 -0.0094 52 THR H CB +17743 O OG1 . THR G 51 ? 0.7206 0.6743 0.7067 -0.0869 -0.0343 -0.0089 52 THR H OG1 +17744 C CG2 . THR G 51 ? 0.7197 0.6745 0.7114 -0.0943 -0.0318 -0.0100 52 THR H CG2 +17745 N N . LEU G 52 ? 0.7152 0.6936 0.7236 -0.0941 -0.0338 -0.0123 53 LEU H N +17746 C CA . LEU G 52 ? 0.7102 0.6949 0.7254 -0.0978 -0.0332 -0.0137 53 LEU H CA +17747 C C . LEU G 52 ? 0.7362 0.7300 0.7567 -0.0957 -0.0355 -0.0149 53 LEU H C +17748 O O . LEU G 52 ? 0.7005 0.6973 0.7216 -0.0926 -0.0348 -0.0136 53 LEU H O +17749 C CB . LEU G 52 ? 0.7014 0.6857 0.7180 -0.0997 -0.0293 -0.0121 53 LEU H CB +17750 C CG . LEU G 52 ? 0.8334 0.8243 0.8572 -0.1037 -0.0280 -0.0133 53 LEU H CG +17751 C CD1 . LEU G 52 ? 0.7362 0.7262 0.7614 -0.1077 -0.0294 -0.0156 53 LEU H CD1 +17752 C CD2 . LEU G 52 ? 0.7890 0.7778 0.8126 -0.1055 -0.0238 -0.0114 53 LEU H CD2 +17753 N N . ILE G 53 ? 0.7033 0.7014 0.7274 -0.0973 -0.0382 -0.0175 54 ILE H N +17754 C CA . ILE G 53 ? 0.7962 0.8027 0.8250 -0.0952 -0.0409 -0.0189 54 ILE H CA +17755 C C . ILE G 53 ? 0.7586 0.7730 0.7956 -0.0987 -0.0406 -0.0207 54 ILE H C +17756 O O . ILE G 53 ? 0.8203 0.8339 0.8589 -0.1028 -0.0407 -0.0222 54 ILE H O +17757 C CB . ILE G 53 ? 0.7821 0.7872 0.8081 -0.0934 -0.0449 -0.0205 54 ILE H CB +17758 C CG1 . ILE G 53 ? 0.7033 0.6997 0.7210 -0.0906 -0.0448 -0.0188 54 ILE H CG1 +17759 C CG2 . ILE G 53 ? 0.6780 0.6910 0.7077 -0.0904 -0.0477 -0.0216 54 ILE H CG2 +17760 C CD1 . ILE G 53 ? 0.7333 0.7272 0.7472 -0.0890 -0.0483 -0.0202 54 ILE H CD1 +17761 N N . LEU G 54 ? 0.7189 0.7408 0.7609 -0.0973 -0.0399 -0.0204 55 LEU H N +17762 C CA . LEU G 54 ? 0.8310 0.8610 0.8812 -0.1004 -0.0390 -0.0219 55 LEU H CA +17763 C C . LEU G 54 ? 0.8315 0.8707 0.8871 -0.0982 -0.0422 -0.0238 55 LEU H C +17764 O O . LEU G 54 ? 0.9055 0.9453 0.9587 -0.0936 -0.0440 -0.0232 55 LEU H O +17765 C CB . LEU G 54 ? 0.6544 0.6856 0.7064 -0.1010 -0.0348 -0.0199 55 LEU H CB +17766 C CG . LEU G 54 ? 0.7854 0.8079 0.8323 -0.1031 -0.0312 -0.0179 55 LEU H CG +17767 C CD1 . LEU G 54 ? 0.7166 0.7409 0.7650 -0.1029 -0.0273 -0.0159 55 LEU H CD1 +17768 C CD2 . LEU G 54 ? 0.7627 0.7823 0.8104 -0.1084 -0.0306 -0.0191 55 LEU H CD2 +17769 N N . ASP G 55 ? 0.8242 0.8705 0.8869 -0.1014 -0.0431 -0.0262 56 ASP H N +17770 C CA . ASP G 55 ? 0.8462 0.9020 0.9148 -0.0994 -0.0462 -0.0282 56 ASP H CA +17771 C C . ASP G 55 ? 0.8220 0.8830 0.8931 -0.0960 -0.0447 -0.0268 56 ASP H C +17772 O O . ASP G 55 ? 0.8204 0.8828 0.8940 -0.0976 -0.0409 -0.0256 56 ASP H O +17773 C CB . ASP G 55 ? 0.8927 0.9556 0.9693 -0.1039 -0.0469 -0.0309 56 ASP H CB +17774 C CG . ASP G 55 ? 1.0352 1.0966 1.1106 -0.1052 -0.0507 -0.0333 56 ASP H CG +17775 O OD1 . ASP G 55 ? 1.2022 1.2617 1.2735 -0.1015 -0.0540 -0.0335 56 ASP H OD1 +17776 O OD2 . ASP G 55 ? 1.4384 1.5001 1.5168 -0.1101 -0.0504 -0.0349 56 ASP H OD2 +17777 N N . GLY G 56 ? 0.8756 0.9391 0.9457 -0.0913 -0.0476 -0.0270 57 GLY H N +17778 C CA . GLY G 56 ? 0.8725 0.9411 0.9450 -0.0878 -0.0465 -0.0259 57 GLY H CA +17779 C C . GLY G 56 ? 0.9706 1.0329 1.0373 -0.0855 -0.0436 -0.0228 57 GLY H C +17780 O O . GLY G 56 ? 0.9627 1.0288 1.0312 -0.0830 -0.0422 -0.0218 57 GLY H O +17781 N N . VAL G 57 ? 0.8004 0.8533 0.8601 -0.0862 -0.0425 -0.0214 58 VAL H N +17782 C CA . VAL G 57 ? 0.8416 0.8881 0.8954 -0.0839 -0.0401 -0.0185 58 VAL H CA +17783 C C . VAL G 57 ? 0.7823 0.8228 0.8291 -0.0805 -0.0427 -0.0180 58 VAL H C +17784 O O . VAL G 57 ? 0.8306 0.8645 0.8728 -0.0819 -0.0433 -0.0181 58 VAL H O +17785 C CB . VAL G 57 ? 0.8158 0.8562 0.8673 -0.0875 -0.0364 -0.0171 58 VAL H CB +17786 C CG1 . VAL G 57 ? 0.8436 0.8781 0.8893 -0.0849 -0.0339 -0.0142 58 VAL H CG1 +17787 C CG2 . VAL G 57 ? 0.7768 0.8233 0.8353 -0.0913 -0.0339 -0.0179 58 VAL H CG2 +17788 N N . ASN G 58 ? 0.7200 0.7626 0.7658 -0.0761 -0.0441 -0.0175 59 ASN H N +17789 C CA . ASN G 58 ? 0.9042 0.9420 0.9437 -0.0726 -0.0466 -0.0171 59 ASN H CA +17790 C C . ASN G 58 ? 0.7287 0.7607 0.7626 -0.0701 -0.0443 -0.0144 59 ASN H C +17791 O O . ASN G 58 ? 0.7585 0.7934 0.7935 -0.0675 -0.0433 -0.0134 59 ASN H O +17792 C CB . ASN G 58 ? 0.8012 0.8452 0.8432 -0.0693 -0.0500 -0.0186 59 ASN H CB +17793 C CG . ASN G 58 ? 0.9752 1.0141 1.0104 -0.0655 -0.0524 -0.0180 59 ASN H CG +17794 O OD1 . ASN G 58 ? 1.1155 1.1471 1.1450 -0.0660 -0.0526 -0.0175 59 ASN H OD1 +17795 N ND2 . ASN G 58 ? 1.0906 1.1332 1.1262 -0.0615 -0.0540 -0.0180 59 ASN H ND2 +17796 N N . VAL G 59 ? 0.7248 0.7486 0.7528 -0.0708 -0.0434 -0.0133 60 VAL H N +17797 C CA . VAL G 59 ? 0.7330 0.7512 0.7561 -0.0691 -0.0409 -0.0108 60 VAL H CA +17798 C C . VAL G 59 ? 0.6273 0.6431 0.6457 -0.0648 -0.0429 -0.0102 60 VAL H C +17799 O O . VAL G 59 ? 0.7107 0.7205 0.7237 -0.0641 -0.0439 -0.0099 60 VAL H O +17800 C CB . VAL G 59 ? 0.6918 0.7025 0.7109 -0.0718 -0.0390 -0.0099 60 VAL H CB +17801 C CG1 . VAL G 59 ? 0.7759 0.7812 0.7902 -0.0699 -0.0366 -0.0074 60 VAL H CG1 +17802 C CG2 . VAL G 59 ? 0.7623 0.7755 0.7862 -0.0761 -0.0370 -0.0105 60 VAL H CG2 +17803 N N . SER G 60 ? 0.7088 0.7294 0.7292 -0.0619 -0.0432 -0.0100 61 SER H N +17804 C CA . SER G 60 ? 0.6822 0.7014 0.6988 -0.0578 -0.0453 -0.0096 61 SER H CA +17805 C C . SER G 60 ? 0.7211 0.7451 0.7402 -0.0552 -0.0446 -0.0089 61 SER H C +17806 O O . SER G 60 ? 0.6806 0.7107 0.7055 -0.0564 -0.0436 -0.0096 61 SER H O +17807 C CB . SER G 60 ? 0.6841 0.7054 0.7011 -0.0572 -0.0492 -0.0117 61 SER H CB +17808 O OG . SER G 60 ? 0.8615 0.8827 0.8756 -0.0531 -0.0511 -0.0114 61 SER H OG +17809 N N . TRP G 61 ? 0.7301 0.7511 0.7447 -0.0516 -0.0450 -0.0077 62 TRP H N +17810 C CA . TRP G 61 ? 0.7907 0.8160 0.8071 -0.0485 -0.0451 -0.0074 62 TRP H CA +17811 C C . TRP G 61 ? 0.8955 0.9286 0.9175 -0.0480 -0.0474 -0.0094 62 TRP H C +17812 O O . TRP G 61 ? 0.8701 0.9086 0.8959 -0.0464 -0.0469 -0.0094 62 TRP H O +17813 C CB . TRP G 61 ? 0.6639 0.6847 0.6742 -0.0447 -0.0461 -0.0063 62 TRP H CB +17814 C CG . TRP G 61 ? 0.7233 0.7370 0.7283 -0.0446 -0.0440 -0.0043 62 TRP H CG +17815 C CD1 . TRP G 61 ? 0.6387 0.6460 0.6383 -0.0448 -0.0445 -0.0039 62 TRP H CD1 +17816 C CD2 . TRP G 61 ? 0.6244 0.6368 0.6288 -0.0442 -0.0410 -0.0026 62 TRP H CD2 +17817 N NE1 . TRP G 61 ? 0.7103 0.7126 0.7064 -0.0446 -0.0420 -0.0020 62 TRP H NE1 +17818 C CE2 . TRP G 61 ? 0.6301 0.6353 0.6288 -0.0442 -0.0400 -0.0012 62 TRP H CE2 +17819 C CE3 . TRP G 61 ? 0.6519 0.6685 0.6598 -0.0437 -0.0392 -0.0021 62 TRP H CE3 +17820 C CZ2 . TRP G 61 ? 0.6041 0.6065 0.6008 -0.0438 -0.0374 0.0006 62 TRP H CZ2 +17821 C CZ3 . TRP G 61 ? 0.6996 0.7129 0.7051 -0.0434 -0.0365 -0.0002 62 TRP H CZ3 +17822 C CH2 . TRP G 61 ? 0.6011 0.6073 0.6010 -0.0434 -0.0357 0.0011 62 TRP H CH2 +17823 N N . LYS G 62 ? 0.8807 0.9147 0.9034 -0.0491 -0.0502 -0.0112 63 LYS H N +17824 C CA . LYS G 62 ? 1.0746 1.1160 1.1025 -0.0484 -0.0530 -0.0134 63 LYS H CA +17825 C C . LYS G 62 ? 1.0337 1.0824 1.0694 -0.0512 -0.0515 -0.0144 63 LYS H C +17826 O O . LYS G 62 ? 1.1945 1.2505 1.2357 -0.0509 -0.0535 -0.0163 63 LYS H O +17827 C CB . LYS G 62 ? 0.9560 0.9961 0.9823 -0.0492 -0.0562 -0.0151 63 LYS H CB +17828 C CG . LYS G 62 ? 1.1428 1.1792 1.1632 -0.0453 -0.0588 -0.0148 63 LYS H CG +17829 C CD . LYS G 62 ? 1.5895 1.6248 1.6083 -0.0461 -0.0622 -0.0167 63 LYS H CD +17830 C CE . LYS G 62 ? 1.4794 1.5120 1.4928 -0.0420 -0.0650 -0.0167 63 LYS H CE +17831 N NZ . LYS G 62 ? 1.2421 1.2736 1.2538 -0.0427 -0.0683 -0.0186 63 LYS H NZ +17832 N N . ALA G 63 ? 1.1876 1.2345 1.2240 -0.0540 -0.0480 -0.0132 64 ALA H N +17833 C CA . ALA G 63 ? 1.3871 1.4403 1.4303 -0.0560 -0.0457 -0.0136 64 ALA H CA +17834 C C . ALA G 63 ? 1.4554 1.5106 1.4991 -0.0532 -0.0438 -0.0122 64 ALA H C +17835 O O . ALA G 63 ? 1.6212 1.6800 1.6690 -0.0549 -0.0410 -0.0119 64 ALA H O +17836 C CB . ALA G 63 ? 1.0589 1.1088 1.1023 -0.0605 -0.0428 -0.0130 64 ALA H CB +17837 N N . LEU G 64 ? 1.2537 1.3065 1.2930 -0.0490 -0.0451 -0.0113 65 LEU H N +17838 C CA . LEU G 64 ? 1.3744 1.4285 1.4134 -0.0459 -0.0436 -0.0100 65 LEU H CA +17839 C C . LEU G 64 ? 1.5035 1.5531 1.5400 -0.0471 -0.0397 -0.0079 65 LEU H C +17840 O O . LEU G 64 ? 1.2601 1.3044 1.2912 -0.0448 -0.0389 -0.0062 65 LEU H O +17841 C CB . LEU G 64 ? 1.3383 1.4019 1.3847 -0.0452 -0.0439 -0.0115 65 LEU H CB +17842 C CG . LEU G 64 ? 1.4409 1.5100 1.4901 -0.0429 -0.0478 -0.0135 65 LEU H CG +17843 C CD1 . LEU G 64 ? 1.2683 1.3399 1.3207 -0.0459 -0.0501 -0.0156 65 LEU H CD1 +17844 C CD2 . LEU G 64 ? 1.5757 1.6531 1.6309 -0.0410 -0.0474 -0.0142 65 LEU H CD2 +17845 N N . FME H 1 ? 0.9898 1.0217 1.0244 -0.0490 0.0327 -0.0198 1 FME I N +17846 C CN . FME H 1 ? 1.0215 1.0575 1.0607 -0.0497 0.0300 -0.0207 1 FME I CN +17847 O O1 . FME H 1 ? 0.9354 0.9745 0.9775 -0.0469 0.0267 -0.0212 1 FME I O1 +17848 C CA . FME H 1 ? 0.8590 0.8891 0.8910 -0.0450 0.0313 -0.0193 1 FME I CA +17849 C CB . FME H 1 ? 0.7764 0.7996 0.8012 -0.0451 0.0340 -0.0178 1 FME I CB +17850 C CG . FME H 1 ? 0.9018 0.9167 0.9189 -0.0466 0.0333 -0.0156 1 FME I CG +17851 S SD . FME H 1 ? 0.8622 0.8740 0.8768 -0.0442 0.0281 -0.0143 1 FME I SD +17852 C CE . FME H 1 ? 0.7403 0.7425 0.7456 -0.0455 0.0285 -0.0119 1 FME I CE +17853 C C . FME H 1 ? 0.8501 0.8877 0.8888 -0.0425 0.0315 -0.0212 1 FME I C +17854 O O . FME H 1 ? 0.8355 0.8733 0.8741 -0.0388 0.0289 -0.0212 1 FME I O +17855 N N . GLU H 2 ? 0.8798 0.9235 0.9242 -0.0444 0.0345 -0.0230 2 GLU I N +17856 C CA . GLU H 2 ? 0.8478 0.8991 0.8989 -0.0420 0.0350 -0.0250 2 GLU I CA +17857 C C . GLU H 2 ? 0.8263 0.8833 0.8832 -0.0402 0.0308 -0.0262 2 GLU I C +17858 O O . GLU H 2 ? 0.8119 0.8721 0.8714 -0.0365 0.0290 -0.0270 2 GLU I O +17859 C CB . GLU H 2 ? 0.8770 0.9336 0.9331 -0.0449 0.0394 -0.0267 2 GLU I CB +17860 C CG . GLU H 2 ? 1.1334 1.1967 1.1949 -0.0422 0.0410 -0.0286 2 GLU I CG +17861 C CD . GLU H 2 ? 1.6507 1.7089 1.7065 -0.0392 0.0422 -0.0276 2 GLU I CD +17862 O OE1 . GLU H 2 ? 1.5242 1.5750 1.5727 -0.0407 0.0442 -0.0259 2 GLU I OE1 +17863 O OE2 . GLU H 2 ? 1.5005 1.5623 1.5591 -0.0354 0.0411 -0.0286 2 GLU I OE2 +17864 N N . THR H 3 ? 0.8147 0.8724 0.8732 -0.0428 0.0292 -0.0262 3 THR I N +17865 C CA . THR H 3 ? 0.9467 1.0092 1.0099 -0.0412 0.0251 -0.0272 3 THR I CA +17866 C C . THR H 3 ? 0.8368 0.8946 0.8953 -0.0374 0.0213 -0.0257 3 THR I C +17867 O O . THR H 3 ? 0.8335 0.8953 0.8955 -0.0341 0.0185 -0.0266 3 THR I O +17868 C CB . THR H 3 ? 0.7798 0.8429 0.8446 -0.0448 0.0241 -0.0274 3 THR I CB +17869 O OG1 . THR H 3 ? 0.9679 1.0346 1.0364 -0.0487 0.0280 -0.0286 3 THR I OG1 +17870 C CG2 . THR H 3 ? 0.7014 0.7707 0.7721 -0.0432 0.0202 -0.0289 3 THR I CG2 +17871 N N . LEU H 4 ? 0.8795 0.9287 0.9300 -0.0379 0.0211 -0.0235 4 LEU I N +17872 C CA . LEU H 4 ? 0.8421 0.8865 0.8878 -0.0345 0.0180 -0.0220 4 LEU I CA +17873 C C . LEU H 4 ? 0.8226 0.8686 0.8692 -0.0307 0.0181 -0.0226 4 LEU I C +17874 O O . LEU H 4 ? 0.7736 0.8209 0.8213 -0.0273 0.0150 -0.0228 4 LEU I O +17875 C CB . LEU H 4 ? 0.8656 0.9010 0.9029 -0.0358 0.0185 -0.0196 4 LEU I CB +17876 C CG . LEU H 4 ? 0.8619 0.8916 0.8937 -0.0329 0.0155 -0.0180 4 LEU I CG +17877 C CD1 . LEU H 4 ? 0.7732 0.8042 0.8066 -0.0321 0.0115 -0.0179 4 LEU I CD1 +17878 C CD2 . LEU H 4 ? 0.9496 0.9712 0.9738 -0.0345 0.0166 -0.0159 4 LEU I CD2 +17879 N N . LYS H 5 ? 0.6927 0.7385 0.7386 -0.0311 0.0219 -0.0229 5 LYS I N +17880 C CA . LYS H 5 ? 0.7579 0.8046 0.8040 -0.0274 0.0224 -0.0234 5 LYS I CA +17881 C C . LYS H 5 ? 0.7843 0.8393 0.8381 -0.0249 0.0208 -0.0255 5 LYS I C +17882 O O . LYS H 5 ? 0.8199 0.8747 0.8733 -0.0209 0.0185 -0.0256 5 LYS I O +17883 C CB . LYS H 5 ? 0.7097 0.7554 0.7542 -0.0288 0.0270 -0.0236 5 LYS I CB +17884 C CG . LYS H 5 ? 0.7029 0.7488 0.7469 -0.0252 0.0279 -0.0241 5 LYS I CG +17885 C CD . LYS H 5 ? 0.7028 0.7475 0.7450 -0.0267 0.0327 -0.0243 5 LYS I CD +17886 C CE . LYS H 5 ? 1.0367 1.0804 1.0772 -0.0231 0.0337 -0.0247 5 LYS I CE +17887 N NZ . LYS H 5 ? 1.0442 1.0862 1.0822 -0.0246 0.0384 -0.0248 5 LYS I NZ +17888 N N . ILE H 6 ? 0.7926 0.8549 0.8534 -0.0269 0.0220 -0.0274 6 ILE I N +17889 C CA . ILE H 6 ? 0.7370 0.8077 0.8055 -0.0245 0.0204 -0.0296 6 ILE I CA +17890 C C . ILE H 6 ? 0.6317 0.7022 0.7002 -0.0222 0.0155 -0.0292 6 ILE I C +17891 O O . ILE H 6 ? 0.7589 0.8322 0.8297 -0.0183 0.0132 -0.0300 6 ILE I O +17892 C CB . ILE H 6 ? 0.9648 1.0436 1.0412 -0.0276 0.0225 -0.0317 6 ILE I CB +17893 C CG1 . ILE H 6 ? 0.8920 0.9707 0.9680 -0.0301 0.0278 -0.0319 6 ILE I CG1 +17894 C CG2 . ILE H 6 ? 0.7512 0.8393 0.8360 -0.0248 0.0207 -0.0340 6 ILE I CG2 +17895 C CD1 . ILE H 6 ? 1.1999 1.2773 1.2738 -0.0268 0.0296 -0.0319 6 ILE I CD1 +17896 N N . THR H 7 ? 0.6616 0.7285 0.7273 -0.0246 0.0138 -0.0280 7 THR I N +17897 C CA . THR H 7 ? 0.6319 0.6980 0.6970 -0.0227 0.0092 -0.0275 7 THR I CA +17898 C C . THR H 7 ? 0.7137 0.7743 0.7734 -0.0187 0.0072 -0.0261 7 THR I C +17899 O O . THR H 7 ? 0.7697 0.8329 0.8315 -0.0151 0.0044 -0.0268 7 THR I O +17900 C CB . THR H 7 ? 0.7431 0.8050 0.8049 -0.0261 0.0082 -0.0262 7 THR I CB +17901 O OG1 . THR H 7 ? 0.7181 0.7851 0.7850 -0.0298 0.0101 -0.0276 7 THR I OG1 +17902 C CG2 . THR H 7 ? 0.6647 0.7258 0.7257 -0.0242 0.0036 -0.0258 7 THR I CG2 +17903 N N . VAL H 8 ? 0.6681 0.7212 0.7208 -0.0192 0.0087 -0.0242 8 VAL I N +17904 C CA . VAL H 8 ? 0.6858 0.7332 0.7330 -0.0158 0.0069 -0.0229 8 VAL I CA +17905 C C . VAL H 8 ? 0.6279 0.6791 0.6783 -0.0120 0.0072 -0.0243 8 VAL I C +17906 O O . VAL H 8 ? 0.7899 0.8405 0.8397 -0.0084 0.0043 -0.0242 8 VAL I O +17907 C CB . VAL H 8 ? 0.7419 0.7811 0.7815 -0.0172 0.0088 -0.0209 8 VAL I CB +17908 C CG1 . VAL H 8 ? 0.6775 0.7116 0.7122 -0.0137 0.0076 -0.0198 8 VAL I CG1 +17909 C CG2 . VAL H 8 ? 0.6142 0.6491 0.6502 -0.0202 0.0078 -0.0193 8 VAL I CG2 +17910 N N . TYR H 9 ? 0.7192 0.7743 0.7729 -0.0127 0.0107 -0.0256 9 TYR I N +17911 C CA . TYR H 9 ? 0.6706 0.7296 0.7274 -0.0090 0.0112 -0.0271 9 TYR I CA +17912 C C . TYR H 9 ? 0.7885 0.8541 0.8514 -0.0063 0.0080 -0.0287 9 TYR I C +17913 O O . TYR H 9 ? 0.8327 0.8981 0.8953 -0.0021 0.0062 -0.0289 9 TYR I O +17914 C CB . TYR H 9 ? 0.7243 0.7875 0.7847 -0.0106 0.0157 -0.0285 9 TYR I CB +17915 C CG . TYR H 9 ? 0.7294 0.7864 0.7836 -0.0111 0.0188 -0.0273 9 TYR I CG +17916 C CD1 . TYR H 9 ? 0.9069 0.9559 0.9539 -0.0133 0.0189 -0.0251 9 TYR I CD1 +17917 C CD2 . TYR H 9 ? 0.8778 0.9368 0.9334 -0.0093 0.0215 -0.0285 9 TYR I CD2 +17918 C CE1 . TYR H 9 ? 0.8545 0.8977 0.8957 -0.0136 0.0215 -0.0241 9 TYR I CE1 +17919 C CE2 . TYR H 9 ? 1.1257 1.1788 1.1753 -0.0097 0.0243 -0.0274 9 TYR I CE2 +17920 C CZ . TYR H 9 ? 0.9875 1.0327 1.0299 -0.0119 0.0242 -0.0253 9 TYR I CZ +17921 O OH . TYR H 9 ? 1.0135 1.0527 1.0498 -0.0122 0.0267 -0.0243 9 TYR I OH +17922 N N . ILE H 10 ? 0.7026 0.7738 0.7709 -0.0086 0.0073 -0.0298 10 ILE I N +17923 C CA . ILE H 10 ? 0.6787 0.7562 0.7527 -0.0061 0.0039 -0.0313 10 ILE I CA +17924 C C . ILE H 10 ? 0.7944 0.8665 0.8635 -0.0037 -0.0003 -0.0298 10 ILE I C +17925 O O . ILE H 10 ? 0.7915 0.8654 0.8619 0.0004 -0.0030 -0.0304 10 ILE I O +17926 C CB . ILE H 10 ? 0.7437 0.8280 0.8242 -0.0096 0.0041 -0.0328 10 ILE I CB +17927 C CG1 . ILE H 10 ? 0.6849 0.7763 0.7718 -0.0111 0.0080 -0.0348 10 ILE I CG1 +17928 C CG2 . ILE H 10 ? 0.6991 0.7882 0.7838 -0.0074 -0.0003 -0.0339 10 ILE I CG2 +17929 C CD1 . ILE H 10 ? 0.7062 0.8037 0.7992 -0.0152 0.0088 -0.0362 10 ILE I CD1 +17930 N N . VAL H 11 ? 0.7077 0.7733 0.7711 -0.0061 -0.0010 -0.0277 11 VAL I N +17931 C CA . VAL H 11 ? 0.6931 0.7535 0.7517 -0.0041 -0.0048 -0.0262 11 VAL I CA +17932 C C . VAL H 11 ? 0.7303 0.7860 0.7845 -0.0001 -0.0053 -0.0254 11 VAL I C +17933 O O . VAL H 11 ? 0.6940 0.7494 0.7478 0.0034 -0.0084 -0.0254 11 VAL I O +17934 C CB . VAL H 11 ? 0.7849 0.8388 0.8380 -0.0075 -0.0049 -0.0242 11 VAL I CB +17935 C CG1 . VAL H 11 ? 0.7465 0.7935 0.7932 -0.0053 -0.0079 -0.0223 11 VAL I CG1 +17936 C CG2 . VAL H 11 ? 0.6923 0.7506 0.7495 -0.0105 -0.0056 -0.0250 11 VAL I CG2 +17937 N N . VAL H 12 ? 0.7167 0.7682 0.7672 -0.0007 -0.0023 -0.0246 12 VAL I N +17938 C CA . VAL H 12 ? 0.6914 0.7378 0.7372 0.0028 -0.0027 -0.0238 12 VAL I CA +17939 C C . VAL H 12 ? 0.8057 0.8575 0.8561 0.0069 -0.0035 -0.0257 12 VAL I C +17940 O O . VAL H 12 ? 0.8443 0.8935 0.8924 0.0106 -0.0060 -0.0253 12 VAL I O +17941 C CB . VAL H 12 ? 0.7993 0.8407 0.8405 0.0012 0.0008 -0.0229 12 VAL I CB +17942 C CG1 . VAL H 12 ? 0.7338 0.7709 0.7711 0.0048 0.0006 -0.0225 12 VAL I CG1 +17943 C CG2 . VAL H 12 ? 0.6339 0.6690 0.6695 -0.0022 0.0009 -0.0208 12 VAL I CG2 +17944 N N . THR H 13 ? 0.6662 0.7256 0.7233 0.0063 -0.0013 -0.0277 13 THR I N +17945 C CA . THR H 13 ? 0.7884 0.8539 0.8508 0.0103 -0.0019 -0.0297 13 THR I CA +17946 C C . THR H 13 ? 0.7822 0.8504 0.8470 0.0129 -0.0063 -0.0302 13 THR I C +17947 O O . THR H 13 ? 0.7326 0.8005 0.7969 0.0173 -0.0083 -0.0306 13 THR I O +17948 C CB . THR H 13 ? 0.7852 0.8591 0.8550 0.0086 0.0013 -0.0319 13 THR I CB +17949 O OG1 . THR H 13 ? 0.7391 0.8098 0.8059 0.0066 0.0054 -0.0314 13 THR I OG1 +17950 C CG2 . THR H 13 ? 0.7449 0.8258 0.8207 0.0128 0.0006 -0.0341 13 THR I CG2 +17951 N N . PHE H 14 ? 0.7185 0.7890 0.7853 0.0103 -0.0079 -0.0302 14 PHE I N +17952 C CA . PHE H 14 ? 0.7002 0.7728 0.7687 0.0126 -0.0122 -0.0306 14 PHE I CA +17953 C C . PHE H 14 ? 0.8774 0.9421 0.9388 0.0158 -0.0149 -0.0288 14 PHE I C +17954 O O . PHE H 14 ? 0.7617 0.8276 0.8238 0.0201 -0.0175 -0.0294 14 PHE I O +17955 C CB . PHE H 14 ? 0.6080 0.6824 0.6782 0.0088 -0.0133 -0.0305 14 PHE I CB +17956 C CG . PHE H 14 ? 0.7653 0.8409 0.8362 0.0108 -0.0178 -0.0307 14 PHE I CG +17957 C CD1 . PHE H 14 ? 0.8088 0.8922 0.8863 0.0135 -0.0198 -0.0329 14 PHE I CD1 +17958 C CD2 . PHE H 14 ? 0.7992 0.8679 0.8639 0.0100 -0.0199 -0.0286 14 PHE I CD2 +17959 C CE1 . PHE H 14 ? 0.8526 0.9367 0.9302 0.0156 -0.0241 -0.0331 14 PHE I CE1 +17960 C CE2 . PHE H 14 ? 0.9009 0.9702 0.9656 0.0119 -0.0240 -0.0287 14 PHE I CE2 +17961 C CZ . PHE H 14 ? 0.8123 0.8892 0.8833 0.0147 -0.0262 -0.0309 14 PHE I CZ +17962 N N . PHE H 15 ? 0.6876 0.7440 0.7418 0.0138 -0.0143 -0.0265 15 PHE I N +17963 C CA . PHE H 15 ? 0.8492 0.8982 0.8968 0.0165 -0.0169 -0.0247 15 PHE I CA +17964 C C . PHE H 15 ? 0.6453 0.6916 0.6905 0.0203 -0.0162 -0.0248 15 PHE I C +17965 O O . PHE H 15 ? 0.7514 0.7945 0.7937 0.0239 -0.0188 -0.0243 15 PHE I O +17966 C CB . PHE H 15 ? 0.6320 0.6733 0.6730 0.0133 -0.0165 -0.0223 15 PHE I CB +17967 C CG . PHE H 15 ? 0.7337 0.7760 0.7754 0.0107 -0.0183 -0.0219 15 PHE I CG +17968 C CD1 . PHE H 15 ? 0.6266 0.6671 0.6663 0.0125 -0.0220 -0.0213 15 PHE I CD1 +17969 C CD2 . PHE H 15 ? 0.6586 0.7035 0.7027 0.0064 -0.0163 -0.0222 15 PHE I CD2 +17970 C CE1 . PHE H 15 ? 0.6685 0.7098 0.7087 0.0102 -0.0237 -0.0210 15 PHE I CE1 +17971 C CE2 . PHE H 15 ? 0.7281 0.7736 0.7727 0.0040 -0.0180 -0.0219 15 PHE I CE2 +17972 C CZ . PHE H 15 ? 0.6231 0.6669 0.6658 0.0059 -0.0216 -0.0213 15 PHE I CZ +17973 N N . VAL H 16 ? 0.7825 0.8296 0.8286 0.0196 -0.0127 -0.0254 16 VAL I N +17974 C CA . VAL H 16 ? 0.7462 0.7907 0.7900 0.0234 -0.0121 -0.0256 16 VAL I CA +17975 C C . VAL H 16 ? 0.8096 0.8600 0.8584 0.0278 -0.0141 -0.0275 16 VAL I C +17976 O O . VAL H 16 ? 0.7751 0.8219 0.8208 0.0318 -0.0158 -0.0272 16 VAL I O +17977 C CB . VAL H 16 ? 0.8412 0.8858 0.8852 0.0218 -0.0078 -0.0261 16 VAL I CB +17978 C CG1 . VAL H 16 ? 0.8254 0.8677 0.8674 0.0259 -0.0072 -0.0266 16 VAL I CG1 +17979 C CG2 . VAL H 16 ? 0.7056 0.7434 0.7436 0.0180 -0.0063 -0.0240 16 VAL I CG2 +17980 N N . LEU H 17 ? 0.7298 0.7894 0.7865 0.0272 -0.0141 -0.0295 17 LEU I N +17981 C CA . LEU H 17 ? 0.7606 0.8267 0.8228 0.0314 -0.0161 -0.0315 17 LEU I CA +17982 C C . LEU H 17 ? 0.7068 0.7702 0.7664 0.0342 -0.0206 -0.0308 17 LEU I C +17983 O O . LEU H 17 ? 0.7480 0.8116 0.8075 0.0389 -0.0226 -0.0314 17 LEU I O +17984 C CB . LEU H 17 ? 0.8317 0.9084 0.9031 0.0295 -0.0151 -0.0338 17 LEU I CB +17985 C CG . LEU H 17 ? 0.8082 0.8886 0.8830 0.0276 -0.0105 -0.0350 17 LEU I CG +17986 C CD1 . LEU H 17 ? 0.8378 0.9275 0.9208 0.0244 -0.0093 -0.0369 17 LEU I CD1 +17987 C CD2 . LEU H 17 ? 0.7986 0.8807 0.8747 0.0322 -0.0097 -0.0363 17 LEU I CD2 +17988 N N . LEU H 18 ? 0.7031 0.7639 0.7603 0.0315 -0.0223 -0.0294 18 LEU I N +17989 C CA . LEU H 18 ? 0.6181 0.6753 0.6718 0.0339 -0.0264 -0.0285 18 LEU I CA +17990 C C . LEU H 18 ? 0.7225 0.7708 0.7685 0.0369 -0.0270 -0.0268 18 LEU I C +17991 O O . LEU H 18 ? 0.7349 0.7820 0.7796 0.0413 -0.0298 -0.0269 18 LEU I O +17992 C CB . LEU H 18 ? 0.7058 0.7606 0.7572 0.0301 -0.0275 -0.0271 18 LEU I CB +17993 C CG . LEU H 18 ? 0.9044 0.9671 0.9626 0.0271 -0.0277 -0.0285 18 LEU I CG +17994 C CD1 . LEU H 18 ? 0.7836 0.8422 0.8382 0.0234 -0.0287 -0.0269 18 LEU I CD1 +17995 C CD2 . LEU H 18 ? 0.8693 0.9394 0.9335 0.0303 -0.0308 -0.0306 18 LEU I CD2 +17996 N N . PHE H 19 ? 0.7439 0.7858 0.7848 0.0347 -0.0245 -0.0252 19 PHE I N +17997 C CA . PHE H 19 ? 0.6930 0.7263 0.7267 0.0370 -0.0247 -0.0237 19 PHE I CA +17998 C C . PHE H 19 ? 0.7326 0.7676 0.7679 0.0418 -0.0248 -0.0252 19 PHE I C +17999 O O . PHE H 19 ? 0.7065 0.7375 0.7383 0.0457 -0.0272 -0.0247 19 PHE I O +18000 C CB . PHE H 19 ? 0.7139 0.7414 0.7430 0.0336 -0.0216 -0.0223 19 PHE I CB +18001 C CG . PHE H 19 ? 0.6793 0.6977 0.7009 0.0354 -0.0217 -0.0207 19 PHE I CG +18002 C CD1 . PHE H 19 ? 0.6679 0.6850 0.6886 0.0375 -0.0197 -0.0214 19 PHE I CD1 +18003 C CD2 . PHE H 19 ? 0.6482 0.6594 0.6636 0.0349 -0.0237 -0.0187 19 PHE I CD2 +18004 C CE1 . PHE H 19 ? 0.6818 0.6903 0.6954 0.0391 -0.0199 -0.0201 19 PHE I CE1 +18005 C CE2 . PHE H 19 ? 0.7121 0.7149 0.7207 0.0364 -0.0237 -0.0173 19 PHE I CE2 +18006 C CZ . PHE H 19 ? 0.7670 0.7684 0.7747 0.0384 -0.0219 -0.0180 19 PHE I CZ +18007 N N . VAL H 20 ? 0.6343 0.6755 0.6750 0.0417 -0.0220 -0.0270 20 VAL I N +18008 C CA . VAL H 20 ? 0.7723 0.8149 0.8142 0.0462 -0.0215 -0.0284 20 VAL I CA +18009 C C . VAL H 20 ? 0.7336 0.7815 0.7797 0.0505 -0.0249 -0.0299 20 VAL I C +18010 O O . VAL H 20 ? 0.7374 0.7815 0.7802 0.0550 -0.0268 -0.0297 20 VAL I O +18011 C CB . VAL H 20 ? 0.7401 0.7882 0.7869 0.0447 -0.0175 -0.0300 20 VAL I CB +18012 C CG1 . VAL H 20 ? 0.7937 0.8444 0.8427 0.0496 -0.0171 -0.0317 20 VAL I CG1 +18013 C CG2 . VAL H 20 ? 0.5956 0.6373 0.6371 0.0412 -0.0144 -0.0285 20 VAL I CG2 +18014 N N . PHE H 21 ? 0.6401 0.6965 0.6933 0.0493 -0.0258 -0.0314 21 PHE I N +18015 C CA . PHE H 21 ? 0.7484 0.8101 0.8056 0.0534 -0.0293 -0.0328 21 PHE I CA +18016 C C . PHE H 21 ? 0.7516 0.8065 0.8026 0.0553 -0.0332 -0.0311 21 PHE I C +18017 O O . PHE H 21 ? 0.7702 0.8254 0.8210 0.0601 -0.0361 -0.0317 21 PHE I O +18018 C CB . PHE H 21 ? 0.7110 0.7833 0.7771 0.0512 -0.0296 -0.0348 21 PHE I CB +18019 C CG . PHE H 21 ? 0.8976 0.9779 0.9709 0.0504 -0.0261 -0.0369 21 PHE I CG +18020 C CD1 . PHE H 21 ? 1.1312 1.2140 1.2067 0.0547 -0.0254 -0.0384 21 PHE I CD1 +18021 C CD2 . PHE H 21 ? 1.0195 1.1042 1.0968 0.0452 -0.0234 -0.0374 21 PHE I CD2 +18022 C CE1 . PHE H 21 ? 1.1416 1.2317 1.2235 0.0540 -0.0220 -0.0405 21 PHE I CE1 +18023 C CE2 . PHE H 21 ? 1.0576 1.1493 1.1413 0.0443 -0.0200 -0.0393 21 PHE I CE2 +18024 C CZ . PHE H 21 ? 0.9633 1.0579 1.0494 0.0487 -0.0192 -0.0409 21 PHE I CZ +18025 N N . GLY H 22 ? 0.7795 0.8280 0.8251 0.0517 -0.0332 -0.0289 22 GLY I N +18026 C CA . GLY H 22 ? 0.6497 0.6910 0.6887 0.0532 -0.0364 -0.0270 22 GLY I CA +18027 C C . GLY H 22 ? 0.7466 0.7805 0.7794 0.0575 -0.0371 -0.0262 22 GLY I C +18028 O O . GLY H 22 ? 0.7805 0.8135 0.8120 0.0617 -0.0402 -0.0264 22 GLY I O +18029 N N . PHE H 23 ? 0.7114 0.7399 0.7403 0.0565 -0.0342 -0.0253 23 PHE I N +18030 C CA . PHE H 23 ? 0.7242 0.7454 0.7472 0.0603 -0.0346 -0.0246 23 PHE I CA +18031 C C . PHE H 23 ? 0.8121 0.8382 0.8392 0.0654 -0.0350 -0.0268 23 PHE I C +18032 O O . PHE H 23 ? 0.8385 0.8594 0.8612 0.0697 -0.0366 -0.0264 23 PHE I O +18033 C CB . PHE H 23 ? 0.8350 0.8493 0.8528 0.0579 -0.0314 -0.0233 23 PHE I CB +18034 C CG . PHE H 23 ? 0.8097 0.8154 0.8203 0.0550 -0.0319 -0.0207 23 PHE I CG +18035 C CD1 . PHE H 23 ? 0.7352 0.7338 0.7397 0.0574 -0.0346 -0.0192 23 PHE I CD1 +18036 C CD2 . PHE H 23 ? 0.7442 0.7490 0.7543 0.0499 -0.0296 -0.0197 23 PHE I CD2 +18037 C CE1 . PHE H 23 ? 0.6904 0.6815 0.6886 0.0547 -0.0349 -0.0169 23 PHE I CE1 +18038 C CE2 . PHE H 23 ? 0.7108 0.7081 0.7146 0.0473 -0.0301 -0.0175 23 PHE I CE2 +18039 C CZ . PHE H 23 ? 0.6657 0.6563 0.6638 0.0497 -0.0326 -0.0161 23 PHE I CZ +18040 N N . LEU H 24 ? 0.6889 0.7250 0.7244 0.0651 -0.0336 -0.0290 24 LEU I N +18041 C CA . LEU H 24 ? 0.7392 0.7811 0.7795 0.0701 -0.0344 -0.0313 24 LEU I CA +18042 C C . LEU H 24 ? 0.8909 0.9358 0.9330 0.0738 -0.0388 -0.0319 24 LEU I C +18043 O O . LEU H 24 ? 0.9428 0.9913 0.9877 0.0788 -0.0401 -0.0336 24 LEU I O +18044 C CB . LEU H 24 ? 0.8060 0.8582 0.8551 0.0685 -0.0316 -0.0336 24 LEU I CB +18045 C CG . LEU H 24 ? 0.8698 0.9210 0.9186 0.0668 -0.0271 -0.0339 24 LEU I CG +18046 C CD1 . LEU H 24 ? 0.7962 0.8583 0.8543 0.0648 -0.0246 -0.0362 24 LEU I CD1 +18047 C CD2 . LEU H 24 ? 0.7772 0.8236 0.8221 0.0717 -0.0269 -0.0341 24 LEU I CD2 +18048 N N . SER H 25 ? 0.7286 0.7721 0.7689 0.0719 -0.0412 -0.0308 25 SER I N +18049 C CA . SER H 25 ? 0.6737 0.7214 0.7167 0.0749 -0.0453 -0.0317 25 SER I CA +18050 C C . SER H 25 ? 0.7375 0.7762 0.7723 0.0787 -0.0485 -0.0300 25 SER I C +18051 O O . SER H 25 ? 0.8668 0.9023 0.8982 0.0781 -0.0511 -0.0287 25 SER I O +18052 C CB . SER H 25 ? 0.6854 0.7377 0.7319 0.0705 -0.0462 -0.0316 25 SER I CB +18053 O OG . SER H 25 ? 0.8077 0.8698 0.8628 0.0678 -0.0439 -0.0337 25 SER I OG +18054 N N . GLY H 26 ? 0.8048 0.8391 0.8363 0.0829 -0.0482 -0.0300 26 GLY I N +18055 C CA . GLY H 26 ? 0.8268 0.8524 0.8505 0.0870 -0.0510 -0.0286 26 GLY I CA +18056 C C . GLY H 26 ? 0.8546 0.8695 0.8695 0.0841 -0.0509 -0.0256 26 GLY I C +18057 O O . GLY H 26 ? 0.8794 0.8885 0.8887 0.0861 -0.0538 -0.0243 26 GLY I O +18058 N N . ASP H 27 ? 0.8985 0.9105 0.9117 0.0794 -0.0475 -0.0246 27 ASP I N +18059 C CA . ASP H 27 ? 0.8727 0.8754 0.8783 0.0762 -0.0473 -0.0219 27 ASP I CA +18060 C C . ASP H 27 ? 0.7515 0.7434 0.7481 0.0795 -0.0486 -0.0202 27 ASP I C +18061 O O . ASP H 27 ? 0.7044 0.6900 0.6953 0.0784 -0.0503 -0.0182 27 ASP I O +18062 C CB . ASP H 27 ? 0.8077 0.8092 0.8131 0.0711 -0.0435 -0.0212 27 ASP I CB +18063 C CG . ASP H 27 ? 0.7923 0.7863 0.7914 0.0672 -0.0434 -0.0187 27 ASP I CG +18064 O OD1 . ASP H 27 ? 0.6998 0.6970 0.7011 0.0643 -0.0442 -0.0184 27 ASP I OD1 +18065 O OD2 . ASP H 27 ? 0.7331 0.7181 0.7252 0.0673 -0.0426 -0.0171 27 ASP I OD2 +18066 N N . PRO H 28 ? 0.7526 0.7414 0.7472 0.0831 -0.0479 -0.0207 28 PRO I N +18067 C CA . PRO H 28 ? 0.8189 0.7968 0.8045 0.0861 -0.0493 -0.0191 28 PRO I CA +18068 C C . PRO H 28 ? 0.8841 0.8603 0.8672 0.0893 -0.0533 -0.0185 28 PRO I C +18069 O O . PRO H 28 ? 0.8201 0.7868 0.7951 0.0897 -0.0544 -0.0164 28 PRO I O +18070 C CB . PRO H 28 ? 0.8713 0.8491 0.8574 0.0904 -0.0483 -0.0205 28 PRO I CB +18071 C CG . PRO H 28 ? 0.7576 0.7427 0.7504 0.0874 -0.0448 -0.0220 28 PRO I CG +18072 C CD . PRO H 28 ? 0.7249 0.7190 0.7245 0.0843 -0.0454 -0.0227 28 PRO I CD +18073 N N . ALA H 29 ? 0.7518 0.7371 0.7415 0.0913 -0.0555 -0.0203 29 ALA I N +18074 C CA . ALA H 29 ? 0.9041 0.8882 0.8915 0.0947 -0.0595 -0.0200 29 ALA I CA +18075 C C . ALA H 29 ? 0.8818 0.8640 0.8668 0.0908 -0.0606 -0.0183 29 ALA I C +18076 O O . ALA H 29 ? 0.7718 0.7510 0.7530 0.0933 -0.0638 -0.0175 29 ALA I O +18077 C CB . ALA H 29 ? 0.7103 0.7052 0.7059 0.0984 -0.0616 -0.0227 29 ALA I CB +18078 N N . ARG H 30 ? 0.8003 0.7840 0.7871 0.0851 -0.0581 -0.0177 30 ARG I N +18079 C CA . ARG H 30 ? 0.7379 0.7201 0.7227 0.0812 -0.0588 -0.0162 30 ARG I CA +18080 C C . ARG H 30 ? 0.7589 0.7294 0.7343 0.0794 -0.0579 -0.0134 30 ARG I C +18081 O O . ARG H 30 ? 0.8323 0.8005 0.8066 0.0747 -0.0553 -0.0123 30 ARG I O +18082 C CB . ARG H 30 ? 0.7344 0.7244 0.7261 0.0761 -0.0567 -0.0170 30 ARG I CB +18083 C CG . ARG H 30 ? 0.7095 0.7112 0.7106 0.0772 -0.0576 -0.0197 30 ARG I CG +18084 C CD . ARG H 30 ? 0.7565 0.7644 0.7633 0.0717 -0.0550 -0.0203 30 ARG I CD +18085 N NE . ARG H 30 ? 0.8634 0.8824 0.8797 0.0725 -0.0547 -0.0231 30 ARG I NE +18086 C CZ . ARG H 30 ? 0.8735 0.9001 0.8953 0.0733 -0.0572 -0.0247 30 ARG I CZ +18087 N NH1 . ARG H 30 ? 0.7696 0.7941 0.7884 0.0734 -0.0602 -0.0238 30 ARG I NH1 +18088 N NH2 . ARG H 30 ? 0.8175 0.8543 0.8480 0.0741 -0.0567 -0.0273 30 ARG I NH2 +18089 N N . ASN H 31 ? 0.6548 0.6180 0.6236 0.0832 -0.0601 -0.0123 31 ASN I N +18090 C CA . ASN H 31 ? 0.8167 0.7684 0.7762 0.0822 -0.0597 -0.0097 31 ASN I CA +18091 C C . ASN H 31 ? 0.8170 0.7644 0.7714 0.0858 -0.0633 -0.0089 31 ASN I C +18092 O O . ASN H 31 ? 0.8224 0.7750 0.7802 0.0899 -0.0660 -0.0104 31 ASN I O +18093 C CB . ASN H 31 ? 0.6994 0.6446 0.6549 0.0836 -0.0577 -0.0094 31 ASN I CB +18094 C CG . ASN H 31 ? 0.8714 0.8146 0.8250 0.0899 -0.0598 -0.0102 31 ASN I CG +18095 O OD1 . ASN H 31 ? 0.8036 0.7384 0.7498 0.0925 -0.0615 -0.0088 31 ASN I OD1 +18096 N ND2 . ASN H 31 ? 0.7290 0.6798 0.6892 0.0925 -0.0595 -0.0126 31 ASN I ND2 +18097 N N . PRO H 32 ? 0.8856 0.8238 0.8321 0.0843 -0.0634 -0.0064 32 PRO I N +18098 C CA . PRO H 32 ? 0.7999 0.7343 0.7416 0.0873 -0.0668 -0.0055 32 PRO I CA +18099 C C . PRO H 32 ? 0.8784 0.8065 0.8146 0.0931 -0.0686 -0.0054 32 PRO I C +18100 O O . PRO H 32 ? 0.9238 0.8500 0.8568 0.0964 -0.0717 -0.0050 32 PRO I O +18101 C CB . PRO H 32 ? 0.8042 0.7311 0.7395 0.0830 -0.0657 -0.0030 32 PRO I CB +18102 C CG . PRO H 32 ? 0.7370 0.6595 0.6706 0.0801 -0.0622 -0.0022 32 PRO I CG +18103 C CD . PRO H 32 ? 0.8032 0.7344 0.7450 0.0798 -0.0606 -0.0044 32 PRO I CD +18104 N N . LYS H 33 ? 0.9221 0.8469 0.8570 0.0945 -0.0668 -0.0056 33 LYS I N +18105 C CA . LYS H 33 ? 0.9648 0.8824 0.8938 0.0999 -0.0682 -0.0054 33 LYS I CA +18106 C C . LYS H 33 ? 1.0166 0.9416 0.9517 0.1048 -0.0694 -0.0080 33 LYS I C +18107 O O . LYS H 33 ? 1.4998 1.4317 1.4393 0.1075 -0.0721 -0.0094 33 LYS I O +18108 C CB . LYS H 33 ? 0.8819 0.7896 0.8044 0.0983 -0.0654 -0.0038 33 LYS I CB +18109 C CG . LYS H 33 ? 1.1509 1.0464 1.0630 0.0985 -0.0661 -0.0012 33 LYS I CG +18110 C CD . LYS H 33 ? 1.4172 1.3123 1.3279 0.0942 -0.0663 0.0004 33 LYS I CD +18111 C CE . LYS H 33 ? 1.2740 1.1567 1.1743 0.0940 -0.0664 0.0030 33 LYS I CE +18112 N NZ . LYS H 33 ? 1.0718 0.9535 0.9689 0.0959 -0.0695 0.0038 33 LYS I NZ +18113 N N . ARG H 34 ? 1.1826 1.1062 1.1181 0.1059 -0.0673 -0.0087 34 ARG I N +18114 C CA . ARG H 34 ? 1.2408 1.1706 1.1815 0.1108 -0.0682 -0.0111 34 ARG I CA +18115 C C . ARG H 34 ? 1.3703 1.3134 1.3221 0.1089 -0.0672 -0.0135 34 ARG I C +18116 O O . ARG H 34 ? 1.4638 1.4093 1.4188 0.1048 -0.0639 -0.0138 34 ARG I O +18117 C CB . ARG H 34 ? 1.2433 1.1667 1.1802 0.1125 -0.0660 -0.0111 34 ARG I CB +18118 C CG . ARG H 34 ? 1.5291 1.4438 1.4585 0.1183 -0.0682 -0.0105 34 ARG I CG +18119 C CD . ARG H 34 ? 1.6070 1.5083 1.5260 0.1164 -0.0673 -0.0077 34 ARG I CD +18120 N NE . ARG H 34 ? 2.0009 1.8936 1.9135 0.1210 -0.0675 -0.0075 34 ARG I NE +18121 C CZ . ARG H 34 ? 1.9274 1.8178 1.8398 0.1209 -0.0649 -0.0082 34 ARG I CZ +18122 N NH1 . ARG H 34 ? 1.5456 1.4414 1.4634 0.1164 -0.0619 -0.0089 34 ARG I NH1 +18123 N NH2 . ARG H 34 ? 2.1579 2.0403 2.0643 0.1255 -0.0654 -0.0081 34 ARG I NH2 +18124 N N . LYS H 35 ? 1.2510 1.2026 1.2086 0.1119 -0.0700 -0.0153 35 LYS I N +18125 C CA . LYS H 35 ? 1.2457 1.2102 1.2141 0.1107 -0.0691 -0.0178 35 LYS I CA +18126 C C . LYS H 35 ? 1.5650 1.5329 1.5372 0.1141 -0.0677 -0.0198 35 LYS I C +18127 O O . LYS H 35 ? 1.5587 1.5311 1.5358 0.1111 -0.0645 -0.0207 35 LYS I O +18128 C CB . LYS H 35 ? 0.8750 0.8477 0.8486 0.1126 -0.0727 -0.0192 35 LYS I CB +18129 C CG . LYS H 35 ? 1.0573 1.0323 1.0320 0.1076 -0.0730 -0.0183 35 LYS I CG +18130 C CD . LYS H 35 ? 1.2155 1.1791 1.1802 0.1063 -0.0736 -0.0154 35 LYS I CD +18131 C CE . LYS H 35 ? 1.0132 0.9795 0.9789 0.1025 -0.0747 -0.0147 35 LYS I CE +18132 N NZ . LYS H 35 ? 1.2781 1.2333 1.2340 0.1014 -0.0752 -0.0118 35 LYS I NZ +18133 N N . ASP H 36 ? 1.8044 1.7701 1.7743 0.1204 -0.0701 -0.0205 36 ASP I N +18134 C CA . ASP H 36 ? 2.0687 2.0388 2.0429 0.1244 -0.0692 -0.0227 36 ASP I CA +18135 C C . ASP H 36 ? 2.2133 2.1787 2.1854 0.1221 -0.0651 -0.0222 36 ASP I C +18136 O O . ASP H 36 ? 2.1590 2.1149 2.1238 0.1246 -0.0647 -0.0212 36 ASP I O +18137 C CB . ASP H 36 ? 2.1429 2.1085 2.1126 0.1318 -0.0725 -0.0229 36 ASP I CB +18138 C CG . ASP H 36 ? 2.2889 2.2401 2.2466 0.1325 -0.0732 -0.0201 36 ASP I CG +18139 O OD1 . ASP H 36 ? 2.2897 2.2364 2.2433 0.1283 -0.0732 -0.0180 36 ASP I OD1 +18140 O OD2 . ASP H 36 ? 2.3490 2.2931 2.3012 0.1372 -0.0737 -0.0199 36 ASP I OD2 +18141 N N . LEU H 37 ? 1.9688 1.9409 1.9472 0.1172 -0.0620 -0.0230 37 LEU I N +18142 C CA . LEU H 37 ? 1.9165 1.8855 1.8938 0.1147 -0.0580 -0.0229 37 LEU I CA +18143 C C . LEU H 37 ? 1.8927 1.8733 1.8799 0.1148 -0.0561 -0.0256 37 LEU I C +18144 O O . LEU H 37 ? 1.8635 1.8527 1.8577 0.1109 -0.0551 -0.0264 37 LEU I O +18145 C CB . LEU H 37 ? 1.7107 1.6750 1.6846 0.1080 -0.0558 -0.0207 37 LEU I CB +18146 C CG . LEU H 37 ? 1.3348 1.2867 1.2984 0.1072 -0.0569 -0.0179 37 LEU I CG +18147 C CD1 . LEU H 37 ? 1.0332 0.9825 0.9951 0.1005 -0.0549 -0.0161 37 LEU I CD1 +18148 C CD2 . LEU H 37 ? 1.3296 1.2716 1.2860 0.1101 -0.0560 -0.0173 37 LEU I CD2 +18149 N N . GLU H 38 ? 1.7640 1.7446 1.7517 0.1193 -0.0553 -0.0270 38 GLU I N +18150 C CA . GLU H 38 ? 1.3338 1.3252 1.3307 0.1206 -0.0536 -0.0299 38 GLU I CA +18151 C C . GLU H 38 ? 1.5815 1.5696 1.5761 0.1260 -0.0529 -0.0309 38 GLU I C +18152 O O . GLU H 38 ? 1.3829 1.3596 1.3685 0.1281 -0.0534 -0.0294 38 GLU I O +18153 C CB . GLU H 38 ? 1.5441 1.5472 1.5495 0.1225 -0.0564 -0.0318 38 GLU I CB +18154 C CG . GLU H 38 ? 1.5536 1.5693 1.5697 0.1228 -0.0544 -0.0348 38 GLU I CG +18155 C CD . GLU H 38 ? 1.7834 1.8103 1.8078 0.1255 -0.0575 -0.0369 38 GLU I CD +18156 O OE1 . GLU H 38 ? 1.8059 1.8311 1.8279 0.1262 -0.0611 -0.0360 38 GLU I OE1 +18157 O OE2 . GLU H 38 ? 1.6818 1.7191 1.7150 0.1269 -0.0563 -0.0396 38 GLU I OE2 +18158 O OXT . GLU H 38 ? 1.2742 1.2705 1.2757 0.1286 -0.0519 -0.0334 38 GLU I OXT +18159 N N . SER I 2 ? 1.3626 0.9075 1.0781 -0.0480 -0.0079 0.0039 2 SER J N +18160 C CA . SER I 2 ? 1.7525 1.2906 1.4643 -0.0513 -0.0060 0.0061 2 SER J CA +18161 C C . SER I 2 ? 2.0466 1.5883 1.7589 -0.0468 -0.0058 0.0088 2 SER J C +18162 O O . SER I 2 ? 1.6718 1.2234 1.3907 -0.0486 -0.0053 0.0100 2 SER J O +18163 C CB . SER I 2 ? 1.8081 1.3292 1.5092 -0.0519 -0.0051 0.0061 2 SER J CB +18164 O OG . SER I 2 ? 1.7358 1.2532 1.4356 -0.0543 -0.0058 0.0033 2 SER J OG +18165 N N . GLU I 3 ? 2.6160 2.1494 2.3212 -0.0408 -0.0061 0.0096 3 GLU J N +18166 C CA . GLU I 3 ? 2.6641 2.2001 2.3691 -0.0357 -0.0063 0.0119 3 GLU J CA +18167 C C . GLU I 3 ? 2.3064 1.8551 2.0184 -0.0307 -0.0081 0.0110 3 GLU J C +18168 O O . GLU I 3 ? 2.1281 1.6768 1.8397 -0.0274 -0.0093 0.0091 3 GLU J O +18169 C CB . GLU I 3 ? 2.5554 2.0772 2.2497 -0.0311 -0.0060 0.0130 3 GLU J CB +18170 C CG . GLU I 3 ? 2.6102 2.1337 2.3035 -0.0256 -0.0063 0.0154 3 GLU J CG +18171 C CD . GLU I 3 ? 2.8259 2.3380 2.5101 -0.0192 -0.0070 0.0158 3 GLU J CD +18172 O OE1 . GLU I 3 ? 2.8061 2.3099 2.4853 -0.0186 -0.0073 0.0141 3 GLU J OE1 +18173 O OE2 . GLU I 3 ? 2.7307 2.2422 2.4126 -0.0145 -0.0073 0.0177 3 GLU J OE2 +18174 N N . GLY I 4 ? 1.7232 1.2824 1.4415 -0.0301 -0.0081 0.0125 4 GLY J N +18175 C CA . GLY I 4 ? 1.6189 1.1908 1.3444 -0.0261 -0.0096 0.0117 4 GLY J CA +18176 C C . GLY I 4 ? 1.4451 1.0141 1.1667 -0.0183 -0.0108 0.0120 4 GLY J C +18177 O O . GLY I 4 ? 1.9571 1.5207 1.6740 -0.0153 -0.0105 0.0140 4 GLY J O +18178 N N . GLY I 5 ? 1.6413 1.2139 1.3649 -0.0148 -0.0121 0.0100 5 GLY J N +18179 C CA . GLY I 5 ? 1.5344 1.1052 1.2551 -0.0073 -0.0132 0.0099 5 GLY J CA +18180 C C . GLY I 5 ? 1.6172 1.1843 1.3354 -0.0049 -0.0139 0.0074 5 GLY J C +18181 O O . GLY I 5 ? 1.5561 1.1256 1.2746 0.0012 -0.0150 0.0067 5 GLY J O +18182 N N . ARG I 6 ? 1.5803 1.1419 1.2963 -0.0098 -0.0134 0.0060 6 ARG J N +18183 C CA . ARG I 6 ? 1.6348 1.1900 1.3466 -0.0078 -0.0139 0.0037 6 ARG J CA +18184 C C . ARG I 6 ? 1.5882 1.1541 1.3062 -0.0042 -0.0151 0.0019 6 ARG J C +18185 O O . ARG I 6 ? 1.6012 1.1650 1.3166 0.0018 -0.0158 0.0011 6 ARG J O +18186 C CB . ARG I 6 ? 1.6345 1.1838 1.3443 -0.0144 -0.0132 0.0023 6 ARG J CB +18187 C CG . ARG I 6 ? 1.7727 1.3115 1.4767 -0.0187 -0.0118 0.0040 6 ARG J CG +18188 C CD . ARG I 6 ? 2.0869 1.6106 1.7814 -0.0192 -0.0115 0.0028 6 ARG J CD +18189 N NE . ARG I 6 ? 2.2694 1.7866 1.9616 -0.0265 -0.0101 0.0031 6 ARG J NE +18190 C CZ . ARG I 6 ? 2.2490 1.7595 1.9372 -0.0289 -0.0087 0.0053 6 ARG J CZ +18191 N NH1 . ARG I 6 ? 2.1920 1.7008 1.8775 -0.0244 -0.0086 0.0076 6 ARG J NH1 +18192 N NH2 . ARG I 6 ? 2.0451 1.5507 1.7320 -0.0359 -0.0074 0.0052 6 ARG J NH2 +18193 N N . ILE I 7 ? 1.4813 1.0589 1.2076 -0.0077 -0.0153 0.0012 7 ILE J N +18194 C CA . ILE I 7 ? 1.2959 0.8835 1.0280 -0.0051 -0.0162 -0.0006 7 ILE J CA +18195 C C . ILE I 7 ? 1.2958 0.8935 1.0333 -0.0007 -0.0167 0.0007 7 ILE J C +18196 O O . ILE I 7 ? 1.2766 0.8810 1.0188 -0.0032 -0.0164 0.0023 7 ILE J O +18197 C CB . ILE I 7 ? 1.2825 0.8774 1.0205 -0.0110 -0.0162 -0.0020 7 ILE J CB +18198 C CG1 . ILE I 7 ? 1.3137 0.8986 1.0467 -0.0164 -0.0157 -0.0028 7 ILE J CG1 +18199 C CG2 . ILE I 7 ? 1.2545 0.8568 0.9965 -0.0084 -0.0171 -0.0042 7 ILE J CG2 +18200 C CD1 . ILE I 7 ? 1.3586 0.9495 1.0965 -0.0218 -0.0160 -0.0045 7 ILE J CD1 +18201 N N . PRO I 8 ? 1.1136 0.7132 0.8510 0.0056 -0.0174 0.0000 8 PRO J N +18202 C CA . PRO I 8 ? 1.1184 0.7275 0.8610 0.0098 -0.0179 0.0011 8 PRO J CA +18203 C C . PRO I 8 ? 1.3111 0.9342 1.0632 0.0070 -0.0180 0.0010 8 PRO J C +18204 O O . PRO I 8 ? 1.1020 0.7296 0.8573 0.0045 -0.0181 -0.0008 8 PRO J O +18205 C CB . PRO I 8 ? 1.2275 0.8358 0.9683 0.0166 -0.0186 -0.0003 8 PRO J CB +18206 C CG . PRO I 8 ? 1.2099 0.8054 0.9426 0.0164 -0.0183 -0.0016 8 PRO J CG +18207 C CD . PRO I 8 ? 1.2920 0.8856 1.0249 0.0091 -0.0177 -0.0021 8 PRO J CD +18208 N N . LEU I 9 ? 1.1480 0.7779 0.9042 0.0075 -0.0181 0.0029 9 LEU J N +18209 C CA . LEU I 9 ? 1.2515 0.8941 1.0163 0.0047 -0.0182 0.0030 9 LEU J CA +18210 C C . LEU I 9 ? 1.0488 0.7008 0.8190 0.0076 -0.0188 0.0012 9 LEU J C +18211 O O . LEU I 9 ? 1.0867 0.7466 0.8625 0.0044 -0.0188 0.0004 9 LEU J O +18212 C CB . LEU I 9 ? 1.2807 0.9278 1.0480 0.0054 -0.0182 0.0053 9 LEU J CB +18213 C CG . LEU I 9 ? 1.1208 0.7781 0.8955 0.0011 -0.0180 0.0061 9 LEU J CG +18214 C CD1 . LEU I 9 ? 1.1435 0.8007 0.9194 -0.0050 -0.0175 0.0050 9 LEU J CD1 +18215 C CD2 . LEU I 9 ? 1.2653 0.9207 1.0386 0.0001 -0.0175 0.0086 9 LEU J CD2 +18216 N N . TRP I 10 ? 1.0292 0.6801 0.7976 0.0137 -0.0192 0.0007 10 TRP J N +18217 C CA . TRP I 10 ? 0.9930 0.6526 0.7664 0.0167 -0.0196 -0.0010 10 TRP J CA +18218 C C . TRP I 10 ? 1.0850 0.7432 0.8578 0.0142 -0.0193 -0.0032 10 TRP J C +18219 O O . TRP I 10 ? 1.1441 0.8109 0.9220 0.0145 -0.0194 -0.0045 10 TRP J O +18220 C CB . TRP I 10 ? 1.0931 0.7512 0.8644 0.0237 -0.0200 -0.0013 10 TRP J CB +18221 C CG . TRP I 10 ? 1.3233 0.9699 1.0868 0.0265 -0.0200 -0.0025 10 TRP J CG +18222 C CD1 . TRP I 10 ? 1.2043 0.8390 0.9600 0.0276 -0.0200 -0.0016 10 TRP J CD1 +18223 C CD2 . TRP I 10 ? 1.2845 0.9302 1.0469 0.0286 -0.0198 -0.0049 10 TRP J CD2 +18224 N NE1 . TRP I 10 ? 1.1916 0.8181 0.9416 0.0303 -0.0199 -0.0032 10 TRP J NE1 +18225 C CE2 . TRP I 10 ? 1.1354 0.7684 0.8893 0.0309 -0.0198 -0.0053 10 TRP J CE2 +18226 C CE3 . TRP I 10 ? 1.0856 0.7397 0.8532 0.0287 -0.0197 -0.0067 10 TRP J CE3 +18227 C CZ2 . TRP I 10 ? 1.0737 0.7023 0.8242 0.0335 -0.0196 -0.0075 10 TRP J CZ2 +18228 C CZ3 . TRP I 10 ? 1.1706 0.8204 0.9347 0.0312 -0.0194 -0.0088 10 TRP J CZ3 +18229 C CH2 . TRP I 10 ? 1.2610 0.8982 1.0167 0.0335 -0.0194 -0.0092 10 TRP J CH2 +18230 N N . ILE I 11 ? 1.1404 0.7877 0.9066 0.0118 -0.0191 -0.0037 11 ILE J N +18231 C CA . ILE I 11 ? 1.0957 0.7414 0.8611 0.0092 -0.0190 -0.0059 11 ILE J CA +18232 C C . ILE I 11 ? 1.0725 0.7234 0.8424 0.0027 -0.0189 -0.0058 11 ILE J C +18233 O O . ILE I 11 ? 1.0512 0.7074 0.8243 0.0010 -0.0191 -0.0074 11 ILE J O +18234 C CB . ILE I 11 ? 1.2169 0.8485 0.9733 0.0095 -0.0188 -0.0067 11 ILE J CB +18235 C CG1 . ILE I 11 ? 1.1331 0.7604 0.8855 0.0164 -0.0190 -0.0072 11 ILE J CG1 +18236 C CG2 . ILE I 11 ? 1.0806 0.7099 0.8358 0.0058 -0.0188 -0.0089 11 ILE J CG2 +18237 C CD1 . ILE I 11 ? 1.2374 0.8510 0.9809 0.0173 -0.0188 -0.0082 11 ILE J CD1 +18238 N N . VAL I 12 ? 1.1185 0.7679 0.8883 -0.0008 -0.0186 -0.0040 12 VAL J N +18239 C CA . VAL I 12 ? 1.1175 0.7734 0.8926 -0.0066 -0.0185 -0.0037 12 VAL J CA +18240 C C . VAL I 12 ? 1.1841 0.8534 0.9672 -0.0056 -0.0189 -0.0038 12 VAL J C +18241 O O . VAL I 12 ? 1.0724 0.7474 0.8593 -0.0082 -0.0191 -0.0051 12 VAL J O +18242 C CB . VAL I 12 ? 1.2410 0.8941 1.0152 -0.0096 -0.0180 -0.0014 12 VAL J CB +18243 C CG1 . VAL I 12 ? 0.9993 0.6599 0.7795 -0.0154 -0.0179 -0.0011 12 VAL J CG1 +18244 C CG2 . VAL I 12 ? 1.1753 0.8146 0.9412 -0.0108 -0.0175 -0.0013 12 VAL J CG2 +18245 N N . ALA I 13 ? 1.0328 0.7070 0.8184 -0.0016 -0.0190 -0.0025 13 ALA J N +18246 C CA . ALA I 13 ? 1.0625 0.7490 0.8555 -0.0003 -0.0192 -0.0025 13 ALA J CA +18247 C C . ALA I 13 ? 1.1233 0.8134 0.9178 0.0013 -0.0194 -0.0047 13 ALA J C +18248 O O . ALA I 13 ? 1.0267 0.7251 0.8265 -0.0008 -0.0195 -0.0054 13 ALA J O +18249 C CB . ALA I 13 ? 1.0027 0.6924 0.7972 0.0044 -0.0194 -0.0010 13 ALA J CB +18250 N N . THR I 14 ? 0.9657 0.6490 0.7551 0.0051 -0.0193 -0.0060 14 THR J N +18251 C CA . THR I 14 ? 0.9617 0.6479 0.7520 0.0071 -0.0193 -0.0081 14 THR J CA +18252 C C . THR I 14 ? 1.1004 0.7856 0.8903 0.0024 -0.0195 -0.0096 14 THR J C +18253 O O . THR I 14 ? 1.0469 0.7390 0.8406 0.0021 -0.0195 -0.0108 14 THR J O +18254 C CB . THR I 14 ? 0.9455 0.6241 0.7301 0.0123 -0.0192 -0.0091 14 THR J CB +18255 O OG1 . THR I 14 ? 1.1212 0.8014 0.9065 0.0170 -0.0193 -0.0078 14 THR J OG1 +18256 C CG2 . THR I 14 ? 0.9629 0.6447 0.7484 0.0143 -0.0190 -0.0113 14 THR J CG2 +18257 N N . VAL I 15 ? 1.1085 0.7851 0.8939 -0.0013 -0.0195 -0.0096 15 VAL J N +18258 C CA . VAL I 15 ? 1.1344 0.8098 0.9193 -0.0059 -0.0198 -0.0112 15 VAL J CA +18259 C C . VAL I 15 ? 1.0206 0.7055 0.8123 -0.0102 -0.0201 -0.0105 15 VAL J C +18260 O O . VAL I 15 ? 1.0792 0.7689 0.8735 -0.0122 -0.0205 -0.0119 15 VAL J O +18261 C CB . VAL I 15 ? 1.2630 0.9264 1.0411 -0.0087 -0.0198 -0.0114 15 VAL J CB +18262 C CG1 . VAL I 15 ? 1.0536 0.7172 0.8327 -0.0147 -0.0202 -0.0125 15 VAL J CG1 +18263 C CG2 . VAL I 15 ? 1.0397 0.6940 0.8110 -0.0048 -0.0197 -0.0129 15 VAL J CG2 +18264 N N . ALA I 16 ? 0.9399 0.6275 0.7342 -0.0117 -0.0199 -0.0084 16 ALA J N +18265 C CA . ALA I 16 ? 1.2237 0.9206 1.0246 -0.0153 -0.0201 -0.0077 16 ALA J CA +18266 C C . ALA I 16 ? 1.1065 0.8141 0.9131 -0.0128 -0.0202 -0.0081 16 ALA J C +18267 O O . ALA I 16 ? 1.1409 0.8550 0.9516 -0.0155 -0.0206 -0.0088 16 ALA J O +18268 C CB . ALA I 16 ? 0.9687 0.6662 0.7710 -0.0166 -0.0197 -0.0054 16 ALA J CB +18269 N N . GLY I 17 ? 1.0679 0.7771 0.8747 -0.0076 -0.0199 -0.0077 17 GLY J N +18270 C CA . GLY I 17 ? 0.9409 0.6597 0.7528 -0.0051 -0.0199 -0.0082 17 GLY J CA +18271 C C . GLY I 17 ? 1.1405 0.8600 0.9518 -0.0055 -0.0200 -0.0104 17 GLY J C +18272 O O . GLY I 17 ? 1.0905 0.8182 0.9065 -0.0065 -0.0201 -0.0108 17 GLY J O +18273 N N . MET I 18 ? 1.0349 0.7457 0.8402 -0.0046 -0.0200 -0.0118 18 MET J N +18274 C CA . MET I 18 ? 1.1140 0.8251 0.9182 -0.0046 -0.0201 -0.0140 18 MET J CA +18275 C C . MET I 18 ? 1.0346 0.7472 0.8402 -0.0101 -0.0209 -0.0147 18 MET J C +18276 O O . MET I 18 ? 0.9891 0.7064 0.7966 -0.0106 -0.0211 -0.0159 18 MET J O +18277 C CB . MET I 18 ? 1.1230 0.8240 0.9201 -0.0020 -0.0200 -0.0155 18 MET J CB +18278 C CG . MET I 18 ? 1.3066 1.0069 1.1025 0.0041 -0.0193 -0.0154 18 MET J CG +18279 S SD . MET I 18 ? 1.5529 1.2403 1.3399 0.0072 -0.0191 -0.0170 18 MET J SD +18280 C CE . MET I 18 ? 1.6103 1.2986 1.3963 0.0064 -0.0191 -0.0196 18 MET J CE +18281 N N . GLY I 19 ? 1.0432 0.7519 0.8479 -0.0141 -0.0212 -0.0139 19 GLY J N +18282 C CA . GLY I 19 ? 1.0309 0.7423 0.8379 -0.0193 -0.0220 -0.0144 19 GLY J CA +18283 C C . GLY I 19 ? 1.1645 0.8874 0.9786 -0.0203 -0.0221 -0.0137 19 GLY J C +18284 O O . GLY I 19 ? 1.0429 0.7700 0.8591 -0.0226 -0.0228 -0.0148 19 GLY J O +18285 N N . VAL I 20 ? 0.9938 0.7217 0.8115 -0.0184 -0.0216 -0.0118 20 VAL J N +18286 C CA . VAL I 20 ? 0.9452 0.6838 0.7695 -0.0190 -0.0217 -0.0110 20 VAL J CA +18287 C C . VAL I 20 ? 1.1428 0.8863 0.9685 -0.0165 -0.0216 -0.0123 20 VAL J C +18288 O O . VAL I 20 ? 0.9571 0.7071 0.7864 -0.0185 -0.0220 -0.0127 20 VAL J O +18289 C CB . VAL I 20 ? 1.0853 0.8275 0.9125 -0.0171 -0.0211 -0.0088 20 VAL J CB +18290 C CG1 . VAL I 20 ? 1.1314 0.8842 0.9648 -0.0165 -0.0211 -0.0082 20 VAL J CG1 +18291 C CG2 . VAL I 20 ? 0.8890 0.6281 0.7159 -0.0205 -0.0211 -0.0073 20 VAL J CG2 +18292 N N . ILE I 21 ? 0.9402 0.6807 0.7629 -0.0122 -0.0210 -0.0130 21 ILE J N +18293 C CA . ILE I 21 ? 0.8907 0.6357 0.7145 -0.0095 -0.0206 -0.0143 21 ILE J CA +18294 C C . ILE I 21 ? 1.1687 0.9114 0.9900 -0.0118 -0.0212 -0.0162 21 ILE J C +18295 O O . ILE I 21 ? 0.9868 0.7353 0.8105 -0.0117 -0.0212 -0.0170 21 ILE J O +18296 C CB . ILE I 21 ? 1.0113 0.7533 0.8326 -0.0042 -0.0198 -0.0146 21 ILE J CB +18297 C CG1 . ILE I 21 ? 1.1593 0.9059 0.9842 -0.0017 -0.0193 -0.0127 21 ILE J CG1 +18298 C CG2 . ILE I 21 ? 0.9603 0.7047 0.7811 -0.0017 -0.0192 -0.0163 21 ILE J CG2 +18299 C CD1 . ILE I 21 ? 1.1277 0.8691 0.9492 0.0029 -0.0188 -0.0127 21 ILE J CD1 +18300 N N . VAL I 22 ? 0.9548 0.6891 0.7713 -0.0139 -0.0218 -0.0171 22 VAL J N +18301 C CA . VAL I 22 ? 0.9123 0.6444 0.7264 -0.0163 -0.0226 -0.0191 22 VAL J CA +18302 C C . VAL I 22 ? 0.8724 0.6112 0.6911 -0.0205 -0.0236 -0.0188 22 VAL J C +18303 O O . VAL I 22 ? 0.9170 0.6592 0.7364 -0.0211 -0.0241 -0.0200 22 VAL J O +18304 C CB . VAL I 22 ? 0.9468 0.6682 0.7548 -0.0179 -0.0231 -0.0201 22 VAL J CB +18305 C CG1 . VAL I 22 ? 0.8813 0.6010 0.6874 -0.0212 -0.0243 -0.0221 22 VAL J CG1 +18306 C CG2 . VAL I 22 ? 1.0806 0.7954 0.8835 -0.0133 -0.0222 -0.0208 22 VAL J CG2 +18307 N N . ILE I 23 ? 0.9092 0.6497 0.7308 -0.0233 -0.0238 -0.0172 23 ILE J N +18308 C CA . ILE I 23 ? 1.0138 0.7599 0.8395 -0.0275 -0.0248 -0.0172 23 ILE J CA +18309 C C . ILE I 23 ? 1.0942 0.8504 0.9254 -0.0263 -0.0246 -0.0164 23 ILE J C +18310 O O . ILE I 23 ? 0.9757 0.7365 0.8090 -0.0283 -0.0254 -0.0171 23 ILE J O +18311 C CB . ILE I 23 ? 1.0367 0.7811 0.8636 -0.0310 -0.0250 -0.0158 23 ILE J CB +18312 C CG1 . ILE I 23 ? 1.1183 0.8669 0.9485 -0.0357 -0.0262 -0.0163 23 ILE J CG1 +18313 C CG2 . ILE I 23 ? 1.2501 0.9987 1.0805 -0.0292 -0.0240 -0.0135 23 ILE J CG2 +18314 C CD1 . ILE I 23 ? 1.2653 1.0096 1.0920 -0.0378 -0.0273 -0.0186 23 ILE J CD1 +18315 N N . VAL I 24 ? 0.9398 0.6992 0.7729 -0.0228 -0.0235 -0.0151 24 VAL J N +18316 C CA . VAL I 24 ? 0.9661 0.7347 0.8042 -0.0215 -0.0231 -0.0144 24 VAL J CA +18317 C C . VAL I 24 ? 0.9029 0.6726 0.7395 -0.0193 -0.0229 -0.0160 24 VAL J C +18318 O O . VAL I 24 ? 0.9205 0.6963 0.7598 -0.0200 -0.0231 -0.0162 24 VAL J O +18319 C CB . VAL I 24 ? 1.0768 0.8484 0.9175 -0.0187 -0.0222 -0.0126 24 VAL J CB +18320 C CG1 . VAL I 24 ? 0.9383 0.7190 0.7840 -0.0172 -0.0217 -0.0120 24 VAL J CG1 +18321 C CG2 . VAL I 24 ? 0.8062 0.5770 0.6484 -0.0213 -0.0224 -0.0110 24 VAL J CG2 +18322 N N . GLY I 25 ? 1.0022 0.7656 0.8339 -0.0166 -0.0224 -0.0172 25 GLY J N +18323 C CA . GLY I 25 ? 0.9179 0.6815 0.7475 -0.0146 -0.0220 -0.0188 25 GLY J CA +18324 C C . GLY I 25 ? 1.0778 0.8411 0.9061 -0.0178 -0.0233 -0.0203 25 GLY J C +18325 O O . GLY I 25 ? 1.0163 0.7837 0.8453 -0.0172 -0.0232 -0.0210 25 GLY J O +18326 N N . LEU I 26 ? 0.9149 0.6732 0.7412 -0.0212 -0.0245 -0.0207 26 LEU J N +18327 C CA . LEU I 26 ? 0.8846 0.6430 0.7101 -0.0246 -0.0260 -0.0221 26 LEU J CA +18328 C C . LEU I 26 ? 0.8083 0.5756 0.6393 -0.0263 -0.0265 -0.0213 26 LEU J C +18329 O O . LEU I 26 ? 0.8137 0.5833 0.6443 -0.0271 -0.0273 -0.0224 26 LEU J O +18330 C CB . LEU I 26 ? 0.9966 0.7485 0.8198 -0.0282 -0.0271 -0.0225 26 LEU J CB +18331 C CG . LEU I 26 ? 1.0397 0.7913 0.8623 -0.0321 -0.0289 -0.0241 26 LEU J CG +18332 C CD1 . LEU I 26 ? 1.1009 0.8490 0.9186 -0.0308 -0.0293 -0.0263 26 LEU J CD1 +18333 C CD2 . LEU I 26 ? 0.9937 0.7396 0.8149 -0.0357 -0.0296 -0.0242 26 LEU J CD2 +18334 N N . PHE I 27 ? 0.8773 0.6494 0.7130 -0.0270 -0.0262 -0.0193 27 PHE J N +18335 C CA . PHE I 27 ? 0.8525 0.6330 0.6935 -0.0285 -0.0266 -0.0184 27 PHE J CA +18336 C C . PHE I 27 ? 0.8579 0.6436 0.7000 -0.0256 -0.0258 -0.0185 27 PHE J C +18337 O O . PHE I 27 ? 0.8075 0.5977 0.6512 -0.0267 -0.0265 -0.0188 27 PHE J O +18338 C CB . PHE I 27 ? 0.8557 0.6397 0.7011 -0.0295 -0.0263 -0.0163 27 PHE J CB +18339 C CG . PHE I 27 ? 0.8249 0.6051 0.6701 -0.0330 -0.0270 -0.0160 27 PHE J CG +18340 C CD1 . PHE I 27 ? 0.8892 0.6640 0.7310 -0.0356 -0.0282 -0.0177 27 PHE J CD1 +18341 C CD2 . PHE I 27 ? 0.8835 0.6652 0.7316 -0.0338 -0.0265 -0.0141 27 PHE J CD2 +18342 C CE1 . PHE I 27 ? 0.9308 0.7020 0.7723 -0.0391 -0.0287 -0.0175 27 PHE J CE1 +18343 C CE2 . PHE I 27 ? 0.9007 0.6788 0.7485 -0.0372 -0.0269 -0.0139 27 PHE J CE2 +18344 C CZ . PHE I 27 ? 0.8665 0.6393 0.7111 -0.0399 -0.0280 -0.0156 27 PHE J CZ +18345 N N . PHE I 28 ? 0.9000 0.6850 0.7413 -0.0218 -0.0242 -0.0181 28 PHE J N +18346 C CA . PHE I 28 ? 0.8621 0.6516 0.7042 -0.0190 -0.0232 -0.0183 28 PHE J CA +18347 C C . PHE I 28 ? 0.8425 0.6288 0.6801 -0.0187 -0.0235 -0.0204 28 PHE J C +18348 O O . PHE I 28 ? 0.9330 0.7236 0.7714 -0.0183 -0.0233 -0.0207 28 PHE J O +18349 C CB . PHE I 28 ? 0.8372 0.6268 0.6797 -0.0151 -0.0214 -0.0176 28 PHE J CB +18350 C CG . PHE I 28 ? 1.0197 0.8152 0.8676 -0.0149 -0.0210 -0.0156 28 PHE J CG +18351 C CD1 . PHE I 28 ? 0.9809 0.7839 0.8328 -0.0145 -0.0204 -0.0149 28 PHE J CD1 +18352 C CD2 . PHE I 28 ? 0.9395 0.7328 0.7881 -0.0152 -0.0211 -0.0144 28 PHE J CD2 +18353 C CE1 . PHE I 28 ? 1.0329 0.8412 0.8896 -0.0143 -0.0201 -0.0131 28 PHE J CE1 +18354 C CE2 . PHE I 28 ? 0.9234 0.7220 0.7767 -0.0150 -0.0207 -0.0126 28 PHE J CE2 +18355 C CZ . PHE I 28 ? 0.9273 0.7334 0.7846 -0.0146 -0.0203 -0.0120 28 PHE J CZ +18356 N N . TYR I 29 ? 0.9112 0.6898 0.7438 -0.0188 -0.0239 -0.0218 29 TYR J N +18357 C CA . TYR I 29 ? 0.9213 0.6965 0.7493 -0.0190 -0.0246 -0.0238 29 TYR J CA +18358 C C . TYR I 29 ? 0.7770 0.5560 0.6066 -0.0223 -0.0263 -0.0241 29 TYR J C +18359 O O . TYR I 29 ? 0.7950 0.5759 0.6234 -0.0217 -0.0264 -0.0250 29 TYR J O +18360 C CB . TYR I 29 ? 0.9790 0.7450 0.8015 -0.0194 -0.0251 -0.0253 29 TYR J CB +18361 C CG . TYR I 29 ? 0.9935 0.7563 0.8118 -0.0210 -0.0265 -0.0273 29 TYR J CG +18362 C CD1 . TYR I 29 ? 1.0141 0.7754 0.8286 -0.0185 -0.0257 -0.0288 29 TYR J CD1 +18363 C CD2 . TYR I 29 ? 1.0155 0.7773 0.8340 -0.0252 -0.0286 -0.0279 29 TYR J CD2 +18364 C CE1 . TYR I 29 ? 0.9783 0.7366 0.7887 -0.0198 -0.0271 -0.0307 29 TYR J CE1 +18365 C CE2 . TYR I 29 ? 0.9580 0.7172 0.7729 -0.0266 -0.0300 -0.0299 29 TYR J CE2 +18366 C CZ . TYR I 29 ? 1.0434 0.8007 0.8540 -0.0239 -0.0293 -0.0312 29 TYR J CZ +18367 O OH . TYR I 29 ? 1.1775 0.9320 0.9842 -0.0252 -0.0309 -0.0332 29 TYR J OH +18368 N N . GLY I 30 ? 0.8011 0.5814 0.6337 -0.0257 -0.0276 -0.0234 30 GLY J N +18369 C CA . GLY I 30 ? 0.8434 0.6275 0.6780 -0.0288 -0.0293 -0.0237 30 GLY J CA +18370 C C . GLY I 30 ? 0.8309 0.6230 0.6693 -0.0280 -0.0289 -0.0227 30 GLY J C +18371 O O . GLY I 30 ? 0.8137 0.6084 0.6524 -0.0296 -0.0303 -0.0233 30 GLY J O +18372 N N . ALA I 31 ? 0.8639 0.6596 0.7050 -0.0255 -0.0272 -0.0212 31 ALA J N +18373 C CA . ALA I 31 ? 0.7689 0.5718 0.6134 -0.0247 -0.0267 -0.0203 31 ALA J CA +18374 C C . ALA I 31 ? 0.8725 0.6749 0.7133 -0.0231 -0.0263 -0.0216 31 ALA J C +18375 O O . ALA I 31 ? 0.8399 0.6473 0.6824 -0.0232 -0.0264 -0.0212 31 ALA J O +18376 C CB . ALA I 31 ? 0.7535 0.5601 0.6014 -0.0224 -0.0248 -0.0186 31 ALA J CB +18377 N N . TYR I 32 ? 0.7552 0.5515 0.5909 -0.0216 -0.0259 -0.0232 32 TYR J N +18378 C CA . TYR I 32 ? 0.9455 0.7408 0.7772 -0.0197 -0.0253 -0.0244 32 TYR J CA +18379 C C . TYR I 32 ? 0.8234 0.6138 0.6502 -0.0213 -0.0271 -0.0264 32 TYR J C +18380 O O . TYR I 32 ? 0.8598 0.6486 0.6826 -0.0198 -0.0267 -0.0276 32 TYR J O +18381 C CB . TYR I 32 ? 0.7841 0.5765 0.6135 -0.0161 -0.0230 -0.0247 32 TYR J CB +18382 C CG . TYR I 32 ? 0.8405 0.6380 0.6746 -0.0141 -0.0212 -0.0230 32 TYR J CG +18383 C CD1 . TYR I 32 ? 0.8756 0.6786 0.7116 -0.0126 -0.0198 -0.0224 32 TYR J CD1 +18384 C CD2 . TYR I 32 ? 0.7835 0.5802 0.6199 -0.0136 -0.0208 -0.0220 32 TYR J CD2 +18385 C CE1 . TYR I 32 ? 0.7976 0.6054 0.6380 -0.0109 -0.0181 -0.0210 32 TYR J CE1 +18386 C CE2 . TYR I 32 ? 0.9094 0.7109 0.7500 -0.0117 -0.0193 -0.0205 32 TYR J CE2 +18387 C CZ . TYR I 32 ? 0.8453 0.6524 0.6880 -0.0104 -0.0180 -0.0201 32 TYR J CZ +18388 O OH . TYR I 32 ? 0.8231 0.6351 0.6702 -0.0086 -0.0165 -0.0188 32 TYR J OH +18389 N N . ALA I 33 ? 0.8091 0.5973 0.6360 -0.0244 -0.0292 -0.0269 33 ALA J N +18390 C CA . ALA I 33 ? 0.7889 0.5722 0.6113 -0.0261 -0.0311 -0.0289 33 ALA J CA +18391 C C . ALA I 33 ? 0.7634 0.5494 0.5889 -0.0299 -0.0335 -0.0288 33 ALA J C +18392 O O . ALA I 33 ? 0.8736 0.6619 0.7035 -0.0315 -0.0335 -0.0275 33 ALA J O +18393 C CB . ALA I 33 ? 0.8459 0.6211 0.6639 -0.0256 -0.0309 -0.0302 33 ALA J CB +18394 N N . GLY I 34 ? 0.7827 0.5682 0.6058 -0.0314 -0.0354 -0.0303 34 GLY J N +18395 C CA . GLY I 34 ? 0.8577 0.6454 0.6836 -0.0351 -0.0379 -0.0306 34 GLY J CA +18396 C C . GLY I 34 ? 0.8903 0.6861 0.7223 -0.0357 -0.0379 -0.0287 34 GLY J C +18397 O O . GLY I 34 ? 0.8858 0.6856 0.7188 -0.0335 -0.0367 -0.0277 34 GLY J O +18398 N N . LEU I 35 ? 0.8342 0.6323 0.6702 -0.0389 -0.0394 -0.0283 35 LEU J N +18399 C CA . LEU I 35 ? 0.8865 0.6921 0.7284 -0.0398 -0.0396 -0.0267 35 LEU J CA +18400 C C . LEU I 35 ? 0.9203 0.7291 0.7649 -0.0373 -0.0371 -0.0246 35 LEU J C +18401 O O . LEU I 35 ? 0.7485 0.5542 0.5925 -0.0361 -0.0354 -0.0241 35 LEU J O +18402 C CB . LEU I 35 ? 0.8142 0.6212 0.6601 -0.0434 -0.0409 -0.0265 35 LEU J CB +18403 C CG . LEU I 35 ? 0.9332 0.7386 0.7778 -0.0464 -0.0437 -0.0285 35 LEU J CG +18404 C CD1 . LEU I 35 ? 0.8537 0.6626 0.7037 -0.0499 -0.0447 -0.0280 35 LEU J CD1 +18405 C CD2 . LEU I 35 ? 0.8355 0.6435 0.6784 -0.0456 -0.0452 -0.0295 35 LEU J CD2 +18406 N N . GLY I 36 ? 0.7860 0.6010 0.6336 -0.0366 -0.0369 -0.0235 36 GLY J N +18407 C CA . GLY I 36 ? 0.7785 0.5973 0.6295 -0.0347 -0.0347 -0.0215 36 GLY J CA +18408 C C . GLY I 36 ? 0.8089 0.6258 0.6568 -0.0313 -0.0326 -0.0214 36 GLY J C +18409 O O . GLY I 36 ? 0.7765 0.5962 0.6271 -0.0296 -0.0307 -0.0199 36 GLY J O +18410 N N . SER I 37 ? 0.7542 0.5665 0.5967 -0.0302 -0.0327 -0.0231 37 SER J N +18411 C CA . SER I 37 ? 0.8181 0.6285 0.6576 -0.0269 -0.0306 -0.0233 37 SER J CA +18412 C C . SER I 37 ? 0.7689 0.5830 0.6078 -0.0254 -0.0299 -0.0230 37 SER J C +18413 O O . SER I 37 ? 0.7607 0.5737 0.5972 -0.0228 -0.0279 -0.0232 37 SER J O +18414 C CB . SER I 37 ? 0.7869 0.5900 0.6204 -0.0263 -0.0308 -0.0253 37 SER J CB +18415 O OG . SER I 37 ? 0.7884 0.5903 0.6183 -0.0271 -0.0325 -0.0268 37 SER J OG +18416 N N . SER I 38 ? 0.7278 0.5459 0.5686 -0.0270 -0.0315 -0.0227 38 SER J N +18417 C CA . SER I 38 ? 0.8094 0.6304 0.6491 -0.0260 -0.0313 -0.0226 38 SER J CA +18418 C C . SER I 38 ? 0.8854 0.7020 0.7186 -0.0252 -0.0319 -0.0244 38 SER J C +18419 O O . SER I 38 ? 0.7954 0.6136 0.6267 -0.0243 -0.0318 -0.0244 38 SER J O +18420 C CB . SER I 38 ? 0.7845 0.6089 0.6261 -0.0236 -0.0286 -0.0211 38 SER J CB +18421 O OG . SER I 38 ? 0.7465 0.5673 0.5839 -0.0212 -0.0266 -0.0219 38 SER J OG +18422 N N . LEU I 39 ? 0.8777 0.6883 0.7070 -0.0253 -0.0325 -0.0261 39 LEU J N +18423 C CA . LEU I 39 ? 0.9523 0.7582 0.7749 -0.0243 -0.0329 -0.0279 39 LEU J CA +18424 C C . LEU I 39 ? 0.8876 0.6919 0.7082 -0.0267 -0.0362 -0.0294 39 LEU J C +18425 O O . LEU I 39 ? 0.8386 0.6431 0.6619 -0.0293 -0.0380 -0.0296 39 LEU J O +18426 C CB . LEU I 39 ? 0.8895 0.6893 0.7083 -0.0227 -0.0315 -0.0290 39 LEU J CB +18427 C CG . LEU I 39 ? 0.9315 0.7324 0.7512 -0.0198 -0.0282 -0.0279 39 LEU J CG +18428 C CD1 . LEU I 39 ? 0.9707 0.7655 0.7865 -0.0180 -0.0269 -0.0291 39 LEU J CD1 +18429 C CD2 . LEU I 39 ? 0.9639 0.7673 0.7818 -0.0181 -0.0268 -0.0277 39 LEU J CD2 +18430 O OXT . LEU I 39 ? 0.8630 0.6658 0.6791 -0.0262 -0.0372 -0.0306 39 LEU J OXT +18431 N N . LYS J 1 ? 0.8750 0.6426 0.6573 0.0345 0.0140 -0.0433 10 LYS K N +18432 C CA . LYS J 1 ? 1.0287 0.7876 0.8054 0.0356 0.0125 -0.0447 10 LYS K CA +18433 C C . LYS J 1 ? 0.9363 0.6944 0.7135 0.0401 0.0147 -0.0457 10 LYS K C +18434 O O . LYS J 1 ? 1.0349 0.7977 0.8143 0.0427 0.0179 -0.0461 10 LYS K O +18435 C CB . LYS J 1 ? 1.0653 0.8173 0.8334 0.0349 0.0120 -0.0464 10 LYS K CB +18436 C CG . LYS J 1 ? 1.3577 1.1077 1.1240 0.0305 0.0087 -0.0459 10 LYS K CG +18437 C CD . LYS J 1 ? 1.6332 1.3900 1.4026 0.0284 0.0093 -0.0445 10 LYS K CD +18438 C CE . LYS J 1 ? 1.6034 1.3629 1.3770 0.0245 0.0062 -0.0428 10 LYS K CE +18439 N NZ . LYS J 1 ? 1.2441 1.0066 1.0241 0.0248 0.0056 -0.0416 10 LYS K NZ +18440 N N . LEU J 2 ? 0.9540 0.7062 0.7292 0.0410 0.0129 -0.0463 11 LEU K N +18441 C CA . LEU J 2 ? 1.0481 0.7972 0.8216 0.0454 0.0146 -0.0476 11 LEU K CA +18442 C C . LEU J 2 ? 0.9398 0.6828 0.7054 0.0472 0.0162 -0.0499 11 LEU K C +18443 O O . LEU J 2 ? 0.9912 0.7299 0.7514 0.0447 0.0149 -0.0505 11 LEU K O +18444 C CB . LEU J 2 ? 0.8545 0.5976 0.6270 0.0457 0.0122 -0.0476 11 LEU K CB +18445 C CG . LEU J 2 ? 1.0546 0.8020 0.8337 0.0439 0.0102 -0.0454 11 LEU K CG +18446 C CD1 . LEU J 2 ? 0.9832 0.7227 0.7592 0.0437 0.0077 -0.0456 11 LEU K CD1 +18447 C CD2 . LEU J 2 ? 0.9448 0.7006 0.7313 0.0467 0.0123 -0.0445 11 LEU K CD2 +18448 N N . PRO J 3 ? 1.1458 0.8884 0.9104 0.0516 0.0190 -0.0512 12 PRO K N +18449 C CA . PRO J 3 ? 1.0098 0.7455 0.7662 0.0536 0.0204 -0.0535 12 PRO K CA +18450 C C . PRO J 3 ? 0.9746 0.6999 0.7238 0.0520 0.0173 -0.0545 12 PRO K C +18451 O O . PRO J 3 ? 1.0520 0.7745 0.8024 0.0513 0.0149 -0.0539 12 PRO K O +18452 C CB . PRO J 3 ? 1.1106 0.8474 0.8682 0.0588 0.0233 -0.0545 12 PRO K CB +18453 C CG . PRO J 3 ? 1.1203 0.8673 0.8878 0.0592 0.0243 -0.0527 12 PRO K CG +18454 C CD . PRO J 3 ? 1.0289 0.7770 0.7997 0.0552 0.0208 -0.0508 12 PRO K CD +18455 N N . GLU J 4 ? 1.0753 0.7950 0.8170 0.0514 0.0173 -0.0560 13 GLU K N +18456 C CA . GLU J 4 ? 1.1057 0.8158 0.8402 0.0493 0.0143 -0.0572 13 GLU K CA +18457 C C . GLU J 4 ? 1.1448 0.8479 0.8770 0.0514 0.0133 -0.0580 13 GLU K C +18458 O O . GLU J 4 ? 1.1515 0.8489 0.8815 0.0488 0.0101 -0.0579 13 GLU K O +18459 C CB . GLU J 4 ? 1.2169 0.9220 0.9432 0.0497 0.0154 -0.0591 13 GLU K CB +18460 C CG . GLU J 4 ? 1.8175 1.5141 1.5364 0.0466 0.0121 -0.0603 13 GLU K CG +18461 C CD . GLU J 4 ? 2.1231 1.8148 1.8337 0.0477 0.0135 -0.0624 13 GLU K CD +18462 O OE1 . GLU J 4 ? 2.0528 1.7403 1.7585 0.0446 0.0111 -0.0630 13 GLU K OE1 +18463 O OE2 . GLU J 4 ? 2.0455 1.7375 1.7544 0.0516 0.0169 -0.0634 13 GLU K OE2 +18464 N N . ALA J 5 ? 1.1516 0.8548 0.8841 0.0562 0.0159 -0.0588 14 ALA K N +18465 C CA . ALA J 5 ? 1.1777 0.8735 0.9072 0.0587 0.0150 -0.0598 14 ALA K CA +18466 C C . ALA J 5 ? 1.3643 1.0614 1.0990 0.0570 0.0126 -0.0579 14 ALA K C +18467 O O . ALA J 5 ? 1.1741 0.8631 0.9050 0.0568 0.0105 -0.0583 14 ALA K O +18468 C CB . ALA J 5 ? 1.1822 0.8791 0.9119 0.0644 0.0184 -0.0609 14 ALA K CB +18469 N N . TYR J 6 ? 1.2021 0.9088 0.9453 0.0559 0.0129 -0.0558 15 TYR K N +18470 C CA . TYR J 6 ? 1.2580 0.9662 1.0062 0.0545 0.0107 -0.0539 15 TYR K CA +18471 C C . TYR J 6 ? 1.1590 0.8667 0.9077 0.0489 0.0076 -0.0527 15 TYR K C +18472 O O . TYR J 6 ? 1.1492 0.8581 0.9020 0.0473 0.0058 -0.0511 15 TYR K O +18473 C CB . TYR J 6 ? 1.0627 0.7816 0.8200 0.0562 0.0124 -0.0523 15 TYR K CB +18474 C CG . TYR J 6 ? 0.9557 0.6766 0.7141 0.0617 0.0154 -0.0533 15 TYR K CG +18475 C CD1 . TYR J 6 ? 0.9910 0.7156 0.7489 0.0637 0.0186 -0.0545 15 TYR K CD1 +18476 C CD2 . TYR J 6 ? 1.0115 0.7310 0.7716 0.0650 0.0152 -0.0532 15 TYR K CD2 +18477 C CE1 . TYR J 6 ? 1.0240 0.7510 0.7833 0.0688 0.0215 -0.0555 15 TYR K CE1 +18478 C CE2 . TYR J 6 ? 0.9328 0.6546 0.6943 0.0703 0.0178 -0.0542 15 TYR K CE2 +18479 C CZ . TYR J 6 ? 1.0439 0.7697 0.8052 0.0721 0.0210 -0.0554 15 TYR K CZ +18480 O OH . TYR J 6 ? 1.0977 0.8263 0.8608 0.0772 0.0237 -0.0565 15 TYR K OH +18481 N N . ALA J 7 ? 1.2281 0.9339 0.9727 0.0462 0.0070 -0.0535 16 ALA K N +18482 C CA . ALA J 7 ? 1.1519 0.8592 0.8980 0.0410 0.0042 -0.0523 16 ALA K CA +18483 C C . ALA J 7 ? 1.2187 0.9195 0.9633 0.0386 0.0012 -0.0520 16 ALA K C +18484 O O . ALA J 7 ? 1.3235 1.0274 1.0721 0.0348 -0.0009 -0.0504 16 ALA K O +18485 C CB . ALA J 7 ? 1.2133 0.9185 0.9541 0.0390 0.0040 -0.0536 16 ALA K CB +18486 N N . ILE J 8 ? 1.1844 0.8763 0.9233 0.0406 0.0009 -0.0535 17 ILE K N +18487 C CA . ILE J 8 ? 1.2460 0.9313 0.9832 0.0381 -0.0019 -0.0532 17 ILE K CA +18488 C C . ILE J 8 ? 1.2423 0.9321 0.9863 0.0383 -0.0022 -0.0510 17 ILE K C +18489 O O . ILE J 8 ? 1.2779 0.9648 1.0224 0.0351 -0.0046 -0.0501 17 ILE K O +18490 C CB . ILE J 8 ? 1.4260 1.1001 1.1552 0.0404 -0.0020 -0.0553 17 ILE K CB +18491 C CG1 . ILE J 8 ? 1.3259 1.0003 1.0555 0.0462 0.0007 -0.0557 17 ILE K CG1 +18492 C CG2 . ILE J 8 ? 1.5526 1.2215 1.2744 0.0396 -0.0021 -0.0576 17 ILE K CG2 +18493 C CD1 . ILE J 8 ? 1.2796 0.9557 1.0068 0.0496 0.0035 -0.0573 17 ILE K CD1 +18494 N N . PHE J 9 ? 1.1703 0.8669 0.9194 0.0418 0.0000 -0.0502 18 PHE K N +18495 C CA . PHE J 9 ? 1.1539 0.8553 0.9096 0.0422 -0.0003 -0.0481 18 PHE K CA +18496 C C . PHE J 9 ? 1.1765 0.8872 0.9392 0.0388 -0.0009 -0.0461 18 PHE K C +18497 O O . PHE J 9 ? 1.0604 0.7763 0.8292 0.0389 -0.0011 -0.0443 18 PHE K O +18498 C CB . PHE J 9 ? 1.1441 0.8484 0.9021 0.0477 0.0022 -0.0483 18 PHE K CB +18499 C CG . PHE J 9 ? 1.2453 0.9402 0.9969 0.0513 0.0025 -0.0500 18 PHE K CG +18500 C CD1 . PHE J 9 ? 1.3955 1.0850 1.1461 0.0520 0.0011 -0.0493 18 PHE K CD1 +18501 C CD2 . PHE J 9 ? 1.3693 1.0604 1.1153 0.0540 0.0043 -0.0522 18 PHE K CD2 +18502 C CE1 . PHE J 9 ? 1.2516 0.9319 0.9960 0.0554 0.0013 -0.0509 18 PHE K CE1 +18503 C CE2 . PHE J 9 ? 1.5680 1.2501 1.3079 0.0575 0.0046 -0.0538 18 PHE K CE2 +18504 C CZ . PHE J 9 ? 1.3155 0.9921 1.0545 0.0581 0.0031 -0.0531 18 PHE K CZ +18505 N N . ASP J 10 ? 1.0553 0.7680 0.8172 0.0357 -0.0013 -0.0464 19 ASP K N +18506 C CA . ASP J 10 ? 1.1741 0.8956 0.9424 0.0327 -0.0018 -0.0446 19 ASP K CA +18507 C C . ASP J 10 ? 1.1161 0.8382 0.8880 0.0294 -0.0042 -0.0428 19 ASP K C +18508 O O . ASP J 10 ? 1.2025 0.9324 0.9812 0.0290 -0.0039 -0.0409 19 ASP K O +18509 C CB . ASP J 10 ? 1.0991 0.8210 0.8646 0.0300 -0.0022 -0.0454 19 ASP K CB +18510 C CG . ASP J 10 ? 1.3739 1.1054 1.1446 0.0297 -0.0007 -0.0443 19 ASP K CG +18511 O OD1 . ASP J 10 ? 1.4970 1.2305 1.2666 0.0324 0.0019 -0.0452 19 ASP K OD1 +18512 O OD2 . ASP J 10 ? 1.7239 1.4610 1.4999 0.0267 -0.0019 -0.0425 19 ASP K OD2 +18513 N N . PRO J 11 ? 1.1189 0.8334 0.8868 0.0269 -0.0065 -0.0432 20 PRO K N +18514 C CA . PRO J 11 ? 1.0693 0.7847 0.8410 0.0238 -0.0084 -0.0414 20 PRO K CA +18515 C C . PRO J 11 ? 1.0599 0.7769 0.8352 0.0267 -0.0076 -0.0401 20 PRO K C +18516 O O . PRO J 11 ? 1.1500 0.8711 0.9303 0.0248 -0.0086 -0.0382 20 PRO K O +18517 C CB . PRO J 11 ? 1.0579 0.7636 0.8235 0.0211 -0.0106 -0.0425 20 PRO K CB +18518 C CG . PRO J 11 ? 1.0844 0.7861 0.8440 0.0215 -0.0102 -0.0448 20 PRO K CG +18519 C CD . PRO J 11 ? 1.0445 0.7492 0.8043 0.0263 -0.0074 -0.0453 20 PRO K CD +18520 N N . LEU J 12 ? 1.0686 0.7823 0.8413 0.0313 -0.0060 -0.0411 21 LEU K N +18521 C CA . LEU J 12 ? 1.0895 0.8051 0.8656 0.0345 -0.0053 -0.0400 21 LEU K CA +18522 C C . LEU J 12 ? 1.0883 0.8151 0.8720 0.0358 -0.0038 -0.0387 21 LEU K C +18523 O O . LEU J 12 ? 0.9678 0.6992 0.7569 0.0357 -0.0043 -0.0369 21 LEU K O +18524 C CB . LEU J 12 ? 1.0542 0.7630 0.8253 0.0392 -0.0041 -0.0416 21 LEU K CB +18525 C CG . LEU J 12 ? 1.0798 0.7900 0.8539 0.0433 -0.0035 -0.0407 21 LEU K CG +18526 C CD1 . LEU J 12 ? 0.9970 0.7043 0.7720 0.0410 -0.0055 -0.0390 21 LEU K CD1 +18527 C CD2 . LEU J 12 ? 1.0600 0.7635 0.8286 0.0481 -0.0022 -0.0425 21 LEU K CD2 +18528 N N . VAL J 13 ? 0.9753 0.7065 0.7594 0.0370 -0.0020 -0.0397 22 VAL K N +18529 C CA . VAL J 13 ? 0.9730 0.7147 0.7640 0.0379 -0.0003 -0.0387 22 VAL K CA +18530 C C . VAL J 13 ? 0.9599 0.7075 0.7562 0.0337 -0.0018 -0.0367 22 VAL K C +18531 O O . VAL J 13 ? 0.9644 0.7198 0.7672 0.0342 -0.0012 -0.0352 22 VAL K O +18532 C CB . VAL J 13 ? 1.0357 0.7800 0.8252 0.0393 0.0019 -0.0401 22 VAL K CB +18533 C CG1 . VAL J 13 ? 0.8921 0.6472 0.6888 0.0395 0.0036 -0.0390 22 VAL K CG1 +18534 C CG2 . VAL J 13 ? 1.0300 0.7694 0.8152 0.0440 0.0037 -0.0420 22 VAL K CG2 +18535 N N . ASP J 14 ? 0.8689 0.6130 0.6625 0.0294 -0.0038 -0.0367 23 ASP K N +18536 C CA . ASP J 14 ? 0.9535 0.7031 0.7519 0.0254 -0.0052 -0.0349 23 ASP K CA +18537 C C . ASP J 14 ? 1.0450 0.7960 0.8475 0.0251 -0.0062 -0.0331 23 ASP K C +18538 O O . ASP J 14 ? 1.0181 0.7757 0.8261 0.0229 -0.0067 -0.0314 23 ASP K O +18539 C CB . ASP J 14 ? 1.0815 0.8265 0.8759 0.0211 -0.0072 -0.0355 23 ASP K CB +18540 C CG . ASP J 14 ? 1.0622 0.8095 0.8549 0.0202 -0.0065 -0.0365 23 ASP K CG +18541 O OD1 . ASP J 14 ? 1.2334 0.9880 1.0301 0.0213 -0.0048 -0.0359 23 ASP K OD1 +18542 O OD2 . ASP J 14 ? 1.2304 0.9720 1.0178 0.0184 -0.0077 -0.0378 23 ASP K OD2 +18543 N N . VAL J 15 ? 1.0302 0.7750 0.8299 0.0273 -0.0065 -0.0334 24 VAL K N +18544 C CA . VAL J 15 ? 1.0422 0.7860 0.8441 0.0267 -0.0078 -0.0318 24 VAL K CA +18545 C C . VAL J 15 ? 0.9403 0.6881 0.7460 0.0310 -0.0065 -0.0311 24 VAL K C +18546 O O . VAL J 15 ? 0.9313 0.6817 0.7408 0.0307 -0.0073 -0.0294 24 VAL K O +18547 C CB . VAL J 15 ? 1.1797 0.9127 0.9752 0.0257 -0.0092 -0.0326 24 VAL K CB +18548 C CG1 . VAL J 15 ? 1.3948 1.1247 1.1906 0.0272 -0.0098 -0.0314 24 VAL K CG1 +18549 C CG2 . VAL J 15 ? 1.1868 0.9178 0.9808 0.0205 -0.0111 -0.0325 24 VAL K CG2 +18550 N N . LEU J 16 ? 0.9165 0.6651 0.7213 0.0351 -0.0046 -0.0325 25 LEU K N +18551 C CA . LEU J 16 ? 0.8784 0.6302 0.6865 0.0396 -0.0035 -0.0321 25 LEU K CA +18552 C C . LEU J 16 ? 0.9362 0.6978 0.7521 0.0391 -0.0034 -0.0303 25 LEU K C +18553 O O . LEU J 16 ? 0.9054 0.6678 0.7237 0.0412 -0.0039 -0.0294 25 LEU K O +18554 C CB . LEU J 16 ? 0.9847 0.7372 0.7913 0.0438 -0.0012 -0.0340 25 LEU K CB +18555 C CG . LEU J 16 ? 1.0125 0.7552 0.8112 0.0456 -0.0009 -0.0360 25 LEU K CG +18556 C CD1 . LEU J 16 ? 1.0516 0.7965 0.8499 0.0501 0.0017 -0.0377 25 LEU K CD1 +18557 C CD2 . LEU J 16 ? 0.9179 0.6522 0.7127 0.0468 -0.0024 -0.0358 25 LEU K CD2 +18558 N N . PRO J 17 ? 0.9732 0.7423 0.7933 0.0366 -0.0029 -0.0298 26 PRO K N +18559 C CA . PRO J 17 ? 0.9345 0.7128 0.7620 0.0365 -0.0027 -0.0282 26 PRO K CA +18560 C C . PRO J 17 ? 0.8318 0.6095 0.6613 0.0348 -0.0046 -0.0263 26 PRO K C +18561 O O . PRO J 17 ? 0.8790 0.6624 0.7136 0.0362 -0.0046 -0.0252 26 PRO K O +18562 C CB . PRO J 17 ? 0.8647 0.6488 0.6946 0.0333 -0.0021 -0.0280 26 PRO K CB +18563 C CG . PRO J 17 ? 0.9445 0.7243 0.7691 0.0337 -0.0011 -0.0298 26 PRO K CG +18564 C CD . PRO J 17 ? 0.8398 0.6093 0.6578 0.0342 -0.0023 -0.0307 26 PRO K CD +18565 N N . VAL J 18 ? 0.9136 0.6847 0.7392 0.0317 -0.0064 -0.0260 27 VAL K N +18566 C CA . VAL J 18 ? 0.9935 0.7637 0.8206 0.0296 -0.0081 -0.0242 27 VAL K CA +18567 C C . VAL J 18 ? 0.9861 0.7515 0.8114 0.0330 -0.0085 -0.0240 27 VAL K C +18568 O O . VAL J 18 ? 0.9646 0.7306 0.7920 0.0322 -0.0096 -0.0224 27 VAL K O +18569 C CB . VAL J 18 ? 1.0585 0.8236 0.8822 0.0249 -0.0096 -0.0241 27 VAL K CB +18570 C CG1 . VAL J 18 ? 1.1012 0.8556 0.9185 0.0253 -0.0105 -0.0247 27 VAL K CG1 +18571 C CG2 . VAL J 18 ? 1.3393 1.1090 1.1675 0.0214 -0.0108 -0.0221 27 VAL K CG2 +18572 N N . ILE J 19 ? 0.8943 0.6548 0.7156 0.0368 -0.0076 -0.0255 28 ILE K N +18573 C CA . ILE J 19 ? 0.9101 0.6648 0.7288 0.0402 -0.0081 -0.0253 28 ILE K CA +18574 C C . ILE J 19 ? 1.0452 0.8063 0.8695 0.0423 -0.0083 -0.0239 28 ILE K C +18575 O O . ILE J 19 ? 0.9946 0.7516 0.8177 0.0425 -0.0096 -0.0227 28 ILE K O +18576 C CB . ILE J 19 ? 0.9348 0.6843 0.7488 0.0444 -0.0070 -0.0274 28 ILE K CB +18577 C CG1 . ILE J 19 ? 0.9816 0.7215 0.7884 0.0422 -0.0075 -0.0285 28 ILE K CG1 +18578 C CG2 . ILE J 19 ? 0.9242 0.6704 0.7372 0.0490 -0.0072 -0.0272 28 ILE K CG2 +18579 C CD1 . ILE J 19 ? 1.1066 0.8417 0.9085 0.0457 -0.0062 -0.0308 28 ILE K CD1 +18580 N N . PRO J 20 ? 0.9953 0.7661 0.8258 0.0438 -0.0072 -0.0238 29 PRO K N +18581 C CA . PRO J 20 ? 1.0149 0.7916 0.8507 0.0456 -0.0076 -0.0225 29 PRO K CA +18582 C C . PRO J 20 ? 0.9332 0.7096 0.7702 0.0422 -0.0094 -0.0204 29 PRO K C +18583 O O . PRO J 20 ? 0.9811 0.7571 0.8191 0.0441 -0.0102 -0.0194 29 PRO K O +18584 C CB . PRO J 20 ? 0.9645 0.7519 0.8067 0.0459 -0.0061 -0.0228 29 PRO K CB +18585 C CG . PRO J 20 ? 0.9658 0.7514 0.8050 0.0474 -0.0044 -0.0248 29 PRO K CG +18586 C CD . PRO J 20 ? 0.8727 0.6488 0.7050 0.0447 -0.0052 -0.0253 29 PRO K CD +18587 N N . VAL J 21 ? 0.9564 0.7328 0.7933 0.0373 -0.0099 -0.0198 30 VAL K N +18588 C CA . VAL J 21 ? 0.9081 0.6843 0.7461 0.0339 -0.0114 -0.0179 30 VAL K CA +18589 C C . VAL J 21 ? 1.0098 0.7762 0.8423 0.0342 -0.0125 -0.0175 30 VAL K C +18590 O O . VAL J 21 ? 0.9573 0.7231 0.7906 0.0334 -0.0136 -0.0158 30 VAL K O +18591 C CB . VAL J 21 ? 0.9183 0.6962 0.7570 0.0287 -0.0116 -0.0177 30 VAL K CB +18592 C CG1 . VAL J 21 ? 0.9867 0.7638 0.8263 0.0251 -0.0131 -0.0158 30 VAL K CG1 +18593 C CG2 . VAL J 21 ? 0.9394 0.7268 0.7835 0.0283 -0.0105 -0.0179 30 VAL K CG2 +18594 N N . LEU J 22 ? 0.9130 0.6712 0.7395 0.0353 -0.0123 -0.0189 31 LEU K N +18595 C CA . LEU J 22 ? 0.9373 0.6855 0.7580 0.0354 -0.0133 -0.0185 31 LEU K CA +18596 C C . LEU J 22 ? 0.9203 0.6672 0.7409 0.0399 -0.0136 -0.0179 31 LEU K C +18597 O O . LEU J 22 ? 0.9044 0.6449 0.7217 0.0396 -0.0146 -0.0168 31 LEU K O +18598 C CB . LEU J 22 ? 1.0086 0.7484 0.8227 0.0355 -0.0130 -0.0204 31 LEU K CB +18599 C CG . LEU J 22 ? 1.0033 0.7437 0.8170 0.0309 -0.0130 -0.0211 31 LEU K CG +18600 C CD1 . LEU J 22 ? 1.0374 0.7696 0.8445 0.0313 -0.0127 -0.0231 31 LEU K CD1 +18601 C CD2 . LEU J 22 ? 0.9978 0.7370 0.8120 0.0259 -0.0143 -0.0195 31 LEU K CD2 +18602 N N . PHE J 23 ? 0.8442 0.5972 0.6683 0.0442 -0.0127 -0.0185 32 PHE K N +18603 C CA . PHE J 23 ? 0.8498 0.6026 0.6745 0.0486 -0.0132 -0.0179 32 PHE K CA +18604 C C . PHE J 23 ? 0.8711 0.6277 0.6994 0.0468 -0.0144 -0.0157 32 PHE K C +18605 O O . PHE J 23 ? 0.9592 0.7109 0.7850 0.0484 -0.0154 -0.0147 32 PHE K O +18606 C CB . PHE J 23 ? 0.9140 0.6736 0.7425 0.0534 -0.0121 -0.0192 32 PHE K CB +18607 C CG . PHE J 23 ? 1.0650 0.8191 0.8890 0.0567 -0.0111 -0.0212 32 PHE K CG +18608 C CD1 . PHE J 23 ? 1.0274 0.7746 0.8470 0.0612 -0.0115 -0.0215 32 PHE K CD1 +18609 C CD2 . PHE J 23 ? 0.9078 0.6632 0.7313 0.0556 -0.0097 -0.0228 32 PHE K CD2 +18610 C CE1 . PHE J 23 ? 0.9398 0.6815 0.7548 0.0645 -0.0106 -0.0235 32 PHE K CE1 +18611 C CE2 . PHE J 23 ? 1.0181 0.7680 0.8369 0.0588 -0.0087 -0.0247 32 PHE K CE2 +18612 C CZ . PHE J 23 ? 0.9777 0.7209 0.7924 0.0633 -0.0091 -0.0251 32 PHE K CZ +18613 N N . LEU J 24 ? 0.9313 0.6961 0.7651 0.0434 -0.0142 -0.0150 33 LEU K N +18614 C CA . LEU J 24 ? 0.8959 0.6642 0.7330 0.0415 -0.0153 -0.0130 33 LEU K CA +18615 C C . LEU J 24 ? 0.8286 0.5885 0.6609 0.0381 -0.0163 -0.0118 33 LEU K C +18616 O O . LEU J 24 ? 0.9060 0.6636 0.7374 0.0386 -0.0172 -0.0103 33 LEU K O +18617 C CB . LEU J 24 ? 0.8506 0.6287 0.6940 0.0384 -0.0148 -0.0127 33 LEU K CB +18618 C CG . LEU J 24 ? 0.8597 0.6416 0.7065 0.0357 -0.0158 -0.0106 33 LEU K CG +18619 C CD1 . LEU J 24 ? 0.8574 0.6413 0.7060 0.0396 -0.0165 -0.0098 33 LEU K CD1 +18620 C CD2 . LEU J 24 ? 0.9753 0.7665 0.8280 0.0327 -0.0153 -0.0105 33 LEU K CD2 +18621 N N . ALA J 25 ? 0.9191 0.6740 0.7478 0.0347 -0.0161 -0.0125 34 ALA K N +18622 C CA . ALA J 25 ? 0.9923 0.7390 0.8163 0.0313 -0.0169 -0.0116 34 ALA K CA +18623 C C . ALA J 25 ? 1.0693 0.8062 0.8871 0.0345 -0.0173 -0.0116 34 ALA K C +18624 O O . ALA J 25 ? 0.9416 0.6730 0.7566 0.0331 -0.0180 -0.0101 34 ALA K O +18625 C CB . ALA J 25 ? 0.9583 0.7023 0.7802 0.0272 -0.0166 -0.0127 34 ALA K CB +18626 N N . LEU J 26 ? 0.9186 0.6530 0.7340 0.0389 -0.0167 -0.0131 35 LEU K N +18627 C CA . LEU J 26 ? 0.9893 0.7140 0.7985 0.0424 -0.0171 -0.0132 35 LEU K CA +18628 C C . LEU J 26 ? 1.0940 0.8199 0.9045 0.0451 -0.0180 -0.0115 35 LEU K C +18629 O O . LEU J 26 ? 0.9348 0.6521 0.7400 0.0457 -0.0187 -0.0106 35 LEU K O +18630 C CB . LEU J 26 ? 0.8993 0.6223 0.7064 0.0470 -0.0163 -0.0153 35 LEU K CB +18631 C CG . LEU J 26 ? 0.9866 0.6982 0.7861 0.0504 -0.0166 -0.0157 35 LEU K CG +18632 C CD1 . LEU J 26 ? 0.9020 0.6035 0.6955 0.0461 -0.0171 -0.0153 35 LEU K CD1 +18633 C CD2 . LEU J 26 ? 0.9001 0.6105 0.6978 0.0546 -0.0157 -0.0179 35 LEU K CD2 +18634 N N . ALA J 27 ? 0.9251 0.6614 0.7424 0.0467 -0.0180 -0.0112 36 ALA K N +18635 C CA . ALA J 27 ? 0.8715 0.6095 0.6903 0.0494 -0.0190 -0.0097 36 ALA K CA +18636 C C . ALA J 27 ? 0.9305 0.6639 0.7469 0.0457 -0.0198 -0.0076 36 ALA K C +18637 O O . ALA J 27 ? 0.9330 0.6619 0.7466 0.0480 -0.0206 -0.0064 36 ALA K O +18638 C CB . ALA J 27 ? 0.9653 0.7158 0.7922 0.0506 -0.0188 -0.0096 36 ALA K CB +18639 N N . PHE J 28 ? 0.8908 0.6249 0.7081 0.0402 -0.0195 -0.0073 37 PHE K N +18640 C CA . PHE J 28 ? 0.9519 0.6821 0.7673 0.0363 -0.0201 -0.0054 37 PHE K CA +18641 C C . PHE J 28 ? 0.9616 0.6792 0.7690 0.0351 -0.0201 -0.0054 37 PHE K C +18642 O O . PHE J 28 ? 0.9928 0.7048 0.7969 0.0340 -0.0206 -0.0038 37 PHE K O +18643 C CB . PHE J 28 ? 0.9023 0.6392 0.7225 0.0309 -0.0198 -0.0050 37 PHE K CB +18644 C CG . PHE J 28 ? 0.9250 0.6731 0.7525 0.0314 -0.0199 -0.0043 37 PHE K CG +18645 C CD1 . PHE J 28 ? 0.9019 0.6581 0.7341 0.0334 -0.0193 -0.0056 37 PHE K CD1 +18646 C CD2 . PHE J 28 ? 0.9507 0.7010 0.7800 0.0299 -0.0205 -0.0024 37 PHE K CD2 +18647 C CE1 . PHE J 28 ? 0.9692 0.7357 0.8082 0.0337 -0.0194 -0.0051 37 PHE K CE1 +18648 C CE2 . PHE J 28 ? 1.0058 0.7664 0.8418 0.0304 -0.0207 -0.0019 37 PHE K CE2 +18649 C CZ . PHE J 28 ? 0.8884 0.6570 0.7292 0.0322 -0.0202 -0.0032 37 PHE K CZ +18650 N N . VAL J 29 ? 0.9101 0.6228 0.7140 0.0352 -0.0196 -0.0072 38 VAL K N +18651 C CA . VAL J 29 ? 1.1058 0.8060 0.9018 0.0346 -0.0196 -0.0073 38 VAL K CA +18652 C C . VAL J 29 ? 0.9447 0.6387 0.7363 0.0399 -0.0201 -0.0068 38 VAL K C +18653 O O . VAL J 29 ? 1.0041 0.6896 0.7905 0.0392 -0.0205 -0.0055 38 VAL K O +18654 C CB . VAL J 29 ? 1.0564 0.7529 0.8495 0.0340 -0.0190 -0.0095 38 VAL K CB +18655 C CG1 . VAL J 29 ? 0.9127 0.5956 0.6972 0.0338 -0.0191 -0.0098 38 VAL K CG1 +18656 C CG2 . VAL J 29 ? 0.9269 0.6288 0.7238 0.0286 -0.0187 -0.0099 38 VAL K CG2 +18657 N N . TRP J 30 ? 0.9777 0.6763 0.7717 0.0452 -0.0202 -0.0077 39 TRP K N +18658 C CA . TRP J 30 ? 0.9350 0.6293 0.7257 0.0508 -0.0208 -0.0072 39 TRP K CA +18659 C C . TRP J 30 ? 1.0771 0.7717 0.8683 0.0504 -0.0217 -0.0049 39 TRP K C +18660 O O . TRP J 30 ? 1.0301 0.7154 0.8151 0.0516 -0.0222 -0.0039 39 TRP K O +18661 C CB . TRP J 30 ? 0.9737 0.6757 0.7688 0.0561 -0.0207 -0.0086 39 TRP K CB +18662 C CG . TRP J 30 ? 1.0446 0.7456 0.8387 0.0620 -0.0216 -0.0081 39 TRP K CG +18663 C CD1 . TRP J 30 ? 1.1297 0.8199 0.9164 0.0653 -0.0222 -0.0078 39 TRP K CD1 +18664 C CD2 . TRP J 30 ? 1.1920 0.9032 0.9925 0.0656 -0.0221 -0.0080 39 TRP K CD2 +18665 N NE1 . TRP J 30 ? 1.0234 0.7166 0.8117 0.0708 -0.0232 -0.0075 39 TRP K NE1 +18666 C CE2 . TRP J 30 ? 1.1032 0.8094 0.9001 0.0711 -0.0231 -0.0077 39 TRP K CE2 +18667 C CE3 . TRP J 30 ? 0.9892 0.7131 0.7982 0.0647 -0.0218 -0.0082 39 TRP K CE3 +18668 C CZ2 . TRP J 30 ? 1.0934 0.8073 0.8950 0.0756 -0.0240 -0.0076 39 TRP K CZ2 +18669 C CZ3 . TRP J 30 ? 0.9721 0.7035 0.7859 0.0689 -0.0225 -0.0082 39 TRP K CZ3 +18670 C CH2 . TRP J 30 ? 1.1472 0.8737 0.9574 0.0743 -0.0237 -0.0079 39 TRP K CH2 +18671 N N . GLN J 31 ? 1.0103 0.7153 0.8085 0.0485 -0.0219 -0.0041 40 GLN K N +18672 C CA . GLN J 31 ? 1.0354 0.7415 0.8344 0.0483 -0.0227 -0.0019 40 GLN K CA +18673 C C . GLN J 31 ? 0.9283 0.6260 0.7223 0.0436 -0.0226 -0.0004 40 GLN K C +18674 O O . GLN J 31 ? 0.9991 0.6926 0.7902 0.0444 -0.0232 0.0013 40 GLN K O +18675 C CB . GLN J 31 ? 0.9597 0.6785 0.7671 0.0470 -0.0228 -0.0015 40 GLN K CB +18676 C CG . GLN J 31 ? 1.0574 0.7840 0.8694 0.0524 -0.0233 -0.0023 40 GLN K CG +18677 C CD . GLN J 31 ? 1.0214 0.7426 0.8293 0.0575 -0.0245 -0.0015 40 GLN K CD +18678 O OE1 . GLN J 31 ? 1.1114 0.8313 0.9183 0.0569 -0.0253 0.0004 40 GLN K OE1 +18679 N NE2 . GLN J 31 ? 0.9514 0.6694 0.7567 0.0626 -0.0246 -0.0029 40 GLN K NE2 +18680 N N . ALA J 32 ? 0.9444 0.6396 0.7374 0.0387 -0.0218 -0.0010 41 ALA K N +18681 C CA . ALA J 32 ? 1.0122 0.6994 0.8006 0.0342 -0.0216 0.0003 41 ALA K CA +18682 C C . ALA J 32 ? 1.1150 0.7889 0.8945 0.0363 -0.0216 0.0003 41 ALA K C +18683 O O . ALA J 32 ? 1.1452 0.8118 0.9201 0.0348 -0.0217 0.0020 41 ALA K O +18684 C CB . ALA J 32 ? 0.9556 0.6445 0.7459 0.0283 -0.0209 -0.0005 41 ALA K CB +18685 N N . ALA J 33 ? 0.9833 0.6535 0.7600 0.0399 -0.0216 -0.0015 42 ALA K N +18686 C CA . ALA J 33 ? 1.0625 0.7197 0.8304 0.0424 -0.0217 -0.0015 42 ALA K CA +18687 C C . ALA J 33 ? 1.1088 0.7630 0.8741 0.0470 -0.0225 0.0000 42 ALA K C +18688 O O . ALA J 33 ? 1.2240 0.8671 0.9819 0.0470 -0.0226 0.0011 42 ALA K O +18689 C CB . ALA J 33 ? 0.9301 0.5851 0.6961 0.0459 -0.0214 -0.0039 42 ALA K CB +18690 N N . VAL J 34 ? 1.0470 0.7106 0.8178 0.0509 -0.0233 0.0002 43 VAL K N +18691 C CA . VAL J 34 ? 0.9897 0.6511 0.7583 0.0554 -0.0243 0.0016 43 VAL K CA +18692 C C . VAL J 34 ? 1.0198 0.6854 0.7911 0.0526 -0.0247 0.0038 43 VAL K C +18693 O O . VAL J 34 ? 1.0235 0.6898 0.7944 0.0563 -0.0257 0.0050 43 VAL K O +18694 C CB . VAL J 34 ? 1.0954 0.7637 0.8678 0.0620 -0.0251 0.0004 43 VAL K CB +18695 C CG1 . VAL J 34 ? 1.0713 0.7351 0.8405 0.0649 -0.0246 -0.0018 43 VAL K CG1 +18696 C CG2 . VAL J 34 ? 0.9896 0.6726 0.7718 0.0610 -0.0251 0.0000 43 VAL K CG2 +18697 N N . GLY J 35 ? 1.0151 0.6836 0.7892 0.0464 -0.0239 0.0043 44 GLY K N +18698 C CA . GLY J 35 ? 0.9922 0.6632 0.7679 0.0435 -0.0240 0.0064 44 GLY K CA +18699 C C . GLY J 35 ? 1.1495 0.8331 0.9331 0.0450 -0.0248 0.0069 44 GLY K C +18700 O O . GLY J 35 ? 1.0152 0.6995 0.7988 0.0445 -0.0252 0.0087 44 GLY K O +18701 N N . PHE J 36 ? 0.9423 0.6354 0.7322 0.0468 -0.0248 0.0052 45 PHE K N +18702 C CA . PHE J 36 ? 1.2079 0.9133 1.0056 0.0478 -0.0255 0.0054 45 PHE K CA +18703 C C . PHE J 36 ? 1.0013 0.7062 0.7976 0.0525 -0.0268 0.0067 45 PHE K C +18704 O O . PHE J 36 ? 1.1291 0.8401 0.9291 0.0517 -0.0274 0.0079 45 PHE K O +18705 C CB . PHE J 36 ? 0.9781 0.6895 0.7804 0.0419 -0.0249 0.0064 45 PHE K CB +18706 C CG . PHE J 36 ? 1.0769 0.7905 0.8815 0.0375 -0.0238 0.0051 45 PHE K CG +18707 C CD1 . PHE J 36 ? 1.0494 0.7721 0.8600 0.0382 -0.0235 0.0035 45 PHE K CD1 +18708 C CD2 . PHE J 36 ? 1.0143 0.7207 0.8149 0.0327 -0.0230 0.0055 45 PHE K CD2 +18709 C CE1 . PHE J 36 ? 1.0494 0.7737 0.8617 0.0343 -0.0226 0.0023 45 PHE K CE1 +18710 C CE2 . PHE J 36 ? 1.0647 0.7732 0.8673 0.0287 -0.0221 0.0042 45 PHE K CE2 +18711 C CZ . PHE J 36 ? 0.9944 0.7118 0.8028 0.0296 -0.0220 0.0027 45 PHE K CZ +18712 N N . ARG J 37 ? 1.0852 0.7828 0.8761 0.0575 -0.0275 0.0063 46 ARG K N +18713 C CA . ARG J 37 ? 1.1124 0.8071 0.9002 0.0621 -0.0289 0.0075 46 ARG K CA +18714 C C . ARG J 37 ? 1.0514 0.7573 0.8460 0.0662 -0.0302 0.0069 46 ARG K C +18715 O O . ARG J 37 ? 0.9909 0.7061 0.7922 0.0666 -0.0298 0.0053 46 ARG K O +18716 C CB . ARG J 37 ? 1.2381 0.9213 1.0178 0.0664 -0.0293 0.0071 46 ARG K CB +18717 C CG . ARG J 37 ? 1.2952 0.9821 1.0774 0.0709 -0.0293 0.0047 46 ARG K CG +18718 C CD . ARG J 37 ? 1.1785 0.8536 0.9526 0.0745 -0.0294 0.0040 46 ARG K CD +18719 N NE . ARG J 37 ? 1.5269 1.2057 1.3038 0.0768 -0.0288 0.0015 46 ARG K NE +18720 C CZ . ARG J 37 ? 1.4012 1.0721 1.1727 0.0803 -0.0286 0.0003 46 ARG K CZ +18721 N NH1 . ARG J 37 ? 1.5336 1.1919 1.2962 0.0822 -0.0291 0.0013 46 ARG K NH1 +18722 N NH2 . ARG J 37 ? 1.5393 1.2148 1.3141 0.0821 -0.0280 -0.0019 46 ARG K NH2 +18723 O OXT . ARG J 37 ? 1.0422 0.7480 0.8357 0.0694 -0.0316 0.0081 46 ARG K OXT +18724 N N . GLU K 2 ? 1.9414 1.7837 1.7479 -0.0103 0.0133 0.0466 2 GLU L N +18725 C CA . GLU K 2 ? 2.0695 1.9114 1.8783 -0.0129 0.0158 0.0477 2 GLU L CA +18726 C C . GLU K 2 ? 2.0379 1.8822 1.8521 -0.0133 0.0131 0.0471 2 GLU L C +18727 O O . GLU K 2 ? 2.0089 1.8590 1.8309 -0.0150 0.0133 0.0462 2 GLU L O +18728 C CB . GLU K 2 ? 1.9830 1.8297 1.7969 -0.0153 0.0196 0.0475 2 GLU L CB +18729 C CG . GLU K 2 ? 1.7540 1.5996 1.5690 -0.0181 0.0229 0.0487 2 GLU L CG +18730 C CD . GLU K 2 ? 2.0342 1.8858 1.8556 -0.0205 0.0261 0.0482 2 GLU L CD +18731 O OE1 . GLU K 2 ? 1.9799 1.8376 1.8070 -0.0201 0.0249 0.0468 2 GLU L OE1 +18732 O OE2 . GLU K 2 ? 1.9035 1.7538 1.7244 -0.0228 0.0299 0.0493 2 GLU L OE2 +18733 N N . PRO K 3 ? 1.6393 1.4790 1.4493 -0.0117 0.0105 0.0475 3 PRO L N +18734 C CA . PRO K 3 ? 1.4640 1.3060 1.2788 -0.0115 0.0072 0.0467 3 PRO L CA +18735 C C . PRO K 3 ? 1.2990 1.1410 1.1171 -0.0139 0.0089 0.0474 3 PRO L C +18736 O O . PRO K 3 ? 1.1928 1.0294 1.0061 -0.0148 0.0111 0.0489 3 PRO L O +18737 C CB . PRO K 3 ? 1.1765 1.0133 0.9849 -0.0086 0.0041 0.0469 3 PRO L CB +18738 C CG . PRO K 3 ? 1.6912 1.5209 1.4909 -0.0082 0.0066 0.0486 3 PRO L CG +18739 C CD . PRO K 3 ? 1.5334 1.3652 1.3338 -0.0099 0.0104 0.0488 3 PRO L CD +18740 N N . ASN K 4 ? 1.1254 0.9731 0.9513 -0.0151 0.0078 0.0462 4 ASN L N +18741 C CA . ASN K 4 ? 0.9579 0.8060 0.7874 -0.0176 0.0093 0.0467 4 ASN L CA +18742 C C . ASN K 4 ? 1.1668 1.0101 0.9932 -0.0164 0.0071 0.0472 4 ASN L C +18743 O O . ASN K 4 ? 1.0032 0.8474 0.8303 -0.0144 0.0036 0.0463 4 ASN L O +18744 C CB . ASN K 4 ? 0.9962 0.8519 0.8348 -0.0190 0.0087 0.0453 4 ASN L CB +18745 C CG . ASN K 4 ? 0.9481 0.8047 0.7907 -0.0218 0.0104 0.0456 4 ASN L CG +18746 O OD1 . ASN K 4 ? 0.9620 0.8159 0.8040 -0.0218 0.0092 0.0459 4 ASN L OD1 +18747 N ND2 . ASN K 4 ? 0.9123 0.7728 0.7590 -0.0241 0.0132 0.0454 4 ASN L ND2 +18748 N N . PRO K 5 ? 1.0126 0.8508 0.8355 -0.0177 0.0092 0.0486 5 PRO L N +18749 C CA . PRO K 5 ? 1.1331 0.9659 0.9520 -0.0163 0.0071 0.0492 5 PRO L CA +18750 C C . PRO K 5 ? 1.1646 1.0006 0.9897 -0.0170 0.0053 0.0483 5 PRO L C +18751 O O . PRO K 5 ? 1.1448 0.9769 0.9672 -0.0155 0.0032 0.0486 5 PRO L O +18752 C CB . PRO K 5 ? 0.9238 0.7499 0.7369 -0.0178 0.0105 0.0511 5 PRO L CB +18753 C CG . PRO K 5 ? 1.0191 0.8495 0.8375 -0.0212 0.0140 0.0510 5 PRO L CG +18754 C CD . PRO K 5 ? 1.0312 0.8685 0.8542 -0.0207 0.0134 0.0496 5 PRO L CD +18755 N N . ASN K 6 ? 1.0889 0.9315 0.9217 -0.0190 0.0059 0.0472 6 ASN L N +18756 C CA . ASN K 6 ? 1.0062 0.8515 0.8446 -0.0200 0.0046 0.0465 6 ASN L CA +18757 C C . ASN K 6 ? 0.9169 0.7663 0.7590 -0.0180 0.0008 0.0450 6 ASN L C +18758 O O . ASN K 6 ? 1.0082 0.8596 0.8545 -0.0184 -0.0005 0.0443 6 ASN L O +18759 C CB . ASN K 6 ? 0.9926 0.8427 0.8373 -0.0232 0.0071 0.0461 6 ASN L CB +18760 C CG . ASN K 6 ? 1.1524 0.9987 0.9941 -0.0257 0.0109 0.0475 6 ASN L CG +18761 O OD1 . ASN K 6 ? 1.2563 1.0984 1.0962 -0.0267 0.0115 0.0482 6 ASN L OD1 +18762 N ND2 . ASN K 6 ? 0.9583 0.8060 0.7996 -0.0266 0.0135 0.0478 6 ASN L ND2 +18763 N N . ARG K 7 ? 0.9549 0.8056 0.7956 -0.0158 -0.0008 0.0444 7 ARG L N +18764 C CA . ARG K 7 ? 1.0183 0.8732 0.8629 -0.0142 -0.0042 0.0429 7 ARG L CA +18765 C C . ARG K 7 ? 1.0757 0.9275 0.9184 -0.0124 -0.0068 0.0429 7 ARG L C +18766 O O . ARG K 7 ? 1.1478 0.9933 0.9844 -0.0114 -0.0066 0.0441 7 ARG L O +18767 C CB . ARG K 7 ? 0.8684 0.7245 0.7110 -0.0123 -0.0054 0.0423 7 ARG L CB +18768 C CG . ARG K 7 ? 1.6350 1.4960 1.4816 -0.0139 -0.0035 0.0418 7 ARG L CG +18769 C CD . ARG K 7 ? 1.6574 1.5189 1.5013 -0.0122 -0.0044 0.0413 7 ARG L CD +18770 N NE . ARG K 7 ? 2.0173 1.8730 1.8536 -0.0113 -0.0030 0.0426 7 ARG L NE +18771 C CZ . ARG K 7 ? 2.0742 1.9288 1.9065 -0.0098 -0.0032 0.0425 7 ARG L CZ +18772 N NH1 . ARG K 7 ? 2.2840 2.1428 2.1192 -0.0090 -0.0049 0.0411 7 ARG L NH1 +18773 N NH2 . ARG K 7 ? 2.0354 1.8842 1.8603 -0.0091 -0.0017 0.0438 7 ARG L NH2 +18774 N N . GLN K 8 ? 1.0387 0.8948 0.8867 -0.0120 -0.0091 0.0416 8 GLN L N +18775 C CA . GLN K 8 ? 0.9766 0.8309 0.8242 -0.0103 -0.0116 0.0413 8 GLN L CA +18776 C C . GLN K 8 ? 0.9537 0.8133 0.8060 -0.0089 -0.0146 0.0396 8 GLN L C +18777 O O . GLN K 8 ? 0.9316 0.7968 0.7894 -0.0103 -0.0142 0.0386 8 GLN L O +18778 C CB . GLN K 8 ? 0.9924 0.8461 0.8427 -0.0122 -0.0105 0.0415 8 GLN L CB +18779 C CG . GLN K 8 ? 1.0849 0.9319 0.9298 -0.0130 -0.0084 0.0432 8 GLN L CG +18780 C CD . GLN K 8 ? 1.1741 1.0158 1.0144 -0.0105 -0.0104 0.0436 8 GLN L CD +18781 O OE1 . GLN K 8 ? 1.4159 1.2593 1.2592 -0.0096 -0.0124 0.0427 8 GLN L OE1 +18782 N NE2 . GLN K 8 ? 1.4949 1.3303 1.3278 -0.0092 -0.0099 0.0449 8 GLN L NE2 +18783 N N . PRO K 9 ? 0.8716 0.7298 0.7218 -0.0063 -0.0175 0.0392 9 PRO L N +18784 C CA . PRO K 9 ? 0.8297 0.6933 0.6849 -0.0052 -0.0202 0.0375 9 PRO L CA +18785 C C . PRO K 9 ? 0.7902 0.6571 0.6513 -0.0065 -0.0203 0.0367 9 PRO L C +18786 O O . PRO K 9 ? 0.8058 0.6699 0.6663 -0.0072 -0.0194 0.0374 9 PRO L O +18787 C CB . PRO K 9 ? 0.8468 0.7075 0.6978 -0.0021 -0.0230 0.0373 9 PRO L CB +18788 C CG . PRO K 9 ? 0.9333 0.7871 0.7785 -0.0016 -0.0220 0.0389 9 PRO L CG +18789 C CD . PRO K 9 ? 0.8700 0.7218 0.7134 -0.0041 -0.0184 0.0402 9 PRO L CD +18790 N N . VAL K 10 ? 0.6925 0.5652 0.5591 -0.0067 -0.0216 0.0353 10 VAL L N +18791 C CA . VAL K 10 ? 0.7663 0.6427 0.6387 -0.0078 -0.0219 0.0344 10 VAL L CA +18792 C C . VAL K 10 ? 0.6876 0.5660 0.5618 -0.0056 -0.0249 0.0331 10 VAL L C +18793 O O . VAL K 10 ? 0.7137 0.5931 0.5869 -0.0040 -0.0267 0.0325 10 VAL L O +18794 C CB . VAL K 10 ? 0.7764 0.6580 0.6540 -0.0099 -0.0206 0.0336 10 VAL L CB +18795 C CG1 . VAL K 10 ? 0.7678 0.6527 0.6508 -0.0112 -0.0207 0.0329 10 VAL L CG1 +18796 C CG2 . VAL K 10 ? 0.9509 0.8310 0.8267 -0.0117 -0.0178 0.0347 10 VAL L CG2 +18797 N N . GLU K 11 ? 0.6677 0.5467 0.5446 -0.0057 -0.0254 0.0327 11 GLU L N +18798 C CA . GLU K 11 ? 0.7821 0.6634 0.6612 -0.0037 -0.0280 0.0315 11 GLU L CA +18799 C C . GLU K 11 ? 0.7185 0.6042 0.6037 -0.0050 -0.0279 0.0304 11 GLU L C +18800 O O . GLU K 11 ? 0.8027 0.6882 0.6894 -0.0069 -0.0261 0.0309 11 GLU L O +18801 C CB . GLU K 11 ? 0.7366 0.6131 0.6115 -0.0014 -0.0292 0.0321 11 GLU L CB +18802 C CG . GLU K 11 ? 0.7925 0.6660 0.6671 -0.0025 -0.0277 0.0328 11 GLU L CG +18803 C CD . GLU K 11 ? 0.9816 0.8515 0.8535 0.0000 -0.0293 0.0329 11 GLU L CD +18804 O OE1 . GLU K 11 ? 0.9375 0.8019 0.8033 0.0015 -0.0295 0.0340 11 GLU L OE1 +18805 O OE2 . GLU K 11 ? 0.8155 0.6881 0.6912 0.0006 -0.0304 0.0319 11 GLU L OE2 +18806 N N . LEU K 12 ? 0.6945 0.5843 0.5831 -0.0039 -0.0299 0.0290 12 LEU L N +18807 C CA . LEU K 12 ? 0.6613 0.5548 0.5551 -0.0045 -0.0302 0.0279 12 LEU L CA +18808 C C . LEU K 12 ? 0.6649 0.5599 0.5597 -0.0020 -0.0328 0.0268 12 LEU L C +18809 O O . LEU K 12 ? 0.7060 0.6038 0.6018 -0.0013 -0.0343 0.0259 12 LEU L O +18810 C CB . LEU K 12 ? 0.5929 0.4913 0.4914 -0.0065 -0.0294 0.0271 12 LEU L CB +18811 C CG . LEU K 12 ? 0.6314 0.5329 0.5347 -0.0073 -0.0293 0.0262 12 LEU L CG +18812 C CD1 . LEU K 12 ? 0.6730 0.5731 0.5767 -0.0094 -0.0272 0.0270 12 LEU L CD1 +18813 C CD2 . LEU K 12 ? 0.6306 0.5375 0.5386 -0.0081 -0.0298 0.0249 12 LEU L CD2 +18814 N N . ASN K 13 ? 0.6570 0.5504 0.5516 -0.0008 -0.0334 0.0268 13 ASN L N +18815 C CA . ASN K 13 ? 0.6107 0.5058 0.5063 0.0018 -0.0359 0.0257 13 ASN L CA +18816 C C . ASN K 13 ? 0.6733 0.5744 0.5752 0.0011 -0.0365 0.0240 13 ASN L C +18817 O O . ASN K 13 ? 0.6836 0.5871 0.5887 -0.0012 -0.0349 0.0238 13 ASN L O +18818 C CB . ASN K 13 ? 0.5975 0.4884 0.4902 0.0039 -0.0366 0.0262 13 ASN L CB +18819 C CG . ASN K 13 ? 0.7360 0.6261 0.6304 0.0025 -0.0350 0.0263 13 ASN L CG +18820 O OD1 . ASN K 13 ? 0.7367 0.6308 0.6359 0.0009 -0.0343 0.0255 13 ASN L OD1 +18821 N ND2 . ASN K 13 ? 0.7739 0.6583 0.6640 0.0031 -0.0343 0.0275 13 ASN L ND2 +18822 N N . ARG K 14 ? 0.6672 0.5710 0.5709 0.0032 -0.0387 0.0228 14 ARG L N +18823 C CA . ARG K 14 ? 0.6754 0.5852 0.5849 0.0026 -0.0393 0.0212 14 ARG L CA +18824 C C . ARG K 14 ? 0.7099 0.6208 0.6226 0.0016 -0.0380 0.0209 14 ARG L C +18825 O O . ARG K 14 ? 0.7080 0.6228 0.6250 -0.0002 -0.0372 0.0201 14 ARG L O +18826 C CB . ARG K 14 ? 0.6218 0.5340 0.5325 0.0051 -0.0419 0.0199 14 ARG L CB +18827 C CG . ARG K 14 ? 0.7314 0.6500 0.6478 0.0041 -0.0424 0.0182 14 ARG L CG +18828 C CD . ARG K 14 ? 0.7938 0.7156 0.7126 0.0064 -0.0449 0.0167 14 ARG L CD +18829 N NE . ARG K 14 ? 0.8454 0.7660 0.7609 0.0082 -0.0470 0.0166 14 ARG L NE +18830 C CZ . ARG K 14 ? 0.9377 0.8608 0.8545 0.0105 -0.0495 0.0154 14 ARG L CZ +18831 N NH1 . ARG K 14 ? 0.7530 0.6804 0.6747 0.0112 -0.0502 0.0139 14 ARG L NH1 +18832 N NH2 . ARG K 14 ? 0.9956 0.9167 0.9085 0.0122 -0.0514 0.0155 14 ARG L NH2 +18833 N N A THR K 15 ? 0.7148 0.6221 0.6254 0.0028 -0.0379 0.0214 15 THR L N +18834 N N B THR K 15 ? 0.7156 0.6229 0.6262 0.0028 -0.0379 0.0214 15 THR L N +18835 C CA A THR K 15 ? 0.7275 0.6355 0.6407 0.0019 -0.0367 0.0211 15 THR L CA +18836 C CA B THR K 15 ? 0.7287 0.6366 0.6419 0.0020 -0.0367 0.0211 15 THR L CA +18837 C C A THR K 15 ? 0.6709 0.5784 0.5846 -0.0011 -0.0344 0.0219 15 THR L C +18838 C C B THR K 15 ? 0.6716 0.5790 0.5853 -0.0010 -0.0344 0.0219 15 THR L C +18839 O O A THR K 15 ? 0.6244 0.5347 0.5418 -0.0025 -0.0335 0.0212 15 THR L O +18840 O O B THR K 15 ? 0.6234 0.5336 0.5407 -0.0025 -0.0335 0.0212 15 THR L O +18841 C CB A THR K 15 ? 0.7305 0.6340 0.6406 0.0039 -0.0370 0.0217 15 THR L CB +18842 C CB B THR K 15 ? 0.7306 0.6340 0.6406 0.0040 -0.0371 0.0217 15 THR L CB +18843 O OG1 A THR K 15 ? 0.7302 0.6353 0.6410 0.0069 -0.0393 0.0207 15 THR L OG1 +18844 O OG1 B THR K 15 ? 0.7305 0.6353 0.6409 0.0070 -0.0393 0.0207 15 THR L OG1 +18845 C CG2 A THR K 15 ? 0.6568 0.5600 0.5688 0.0028 -0.0356 0.0215 15 THR L CG2 +18846 C CG2 B THR K 15 ? 0.6540 0.5573 0.5660 0.0030 -0.0357 0.0214 15 THR L CG2 +18847 N N . SER K 16 ? 0.6869 0.5909 0.5968 -0.0020 -0.0334 0.0232 16 SER L N +18848 C CA . SER K 16 ? 0.6635 0.5674 0.5741 -0.0048 -0.0313 0.0238 16 SER L CA +18849 C C . SER K 16 ? 0.6539 0.5626 0.5682 -0.0063 -0.0311 0.0230 16 SER L C +18850 O O . SER K 16 ? 0.6486 0.5590 0.5654 -0.0082 -0.0298 0.0229 16 SER L O +18851 C CB . SER K 16 ? 0.6283 0.5276 0.5341 -0.0053 -0.0303 0.0254 16 SER L CB +18852 O OG . SER K 16 ? 0.6721 0.5664 0.5743 -0.0042 -0.0302 0.0262 16 SER L OG +18853 N N . LEU K 17 ? 0.6640 0.5748 0.5786 -0.0054 -0.0324 0.0225 17 LEU L N +18854 C CA . LEU K 17 ? 0.6515 0.5668 0.5696 -0.0067 -0.0324 0.0215 17 LEU L CA +18855 C C . LEU K 17 ? 0.6582 0.5772 0.5809 -0.0071 -0.0324 0.0203 17 LEU L C +18856 O O . LEU K 17 ? 0.6093 0.5306 0.5346 -0.0089 -0.0313 0.0200 17 LEU L O +18857 C CB . LEU K 17 ? 0.6386 0.5552 0.5560 -0.0054 -0.0341 0.0210 17 LEU L CB +18858 C CG . LEU K 17 ? 0.6958 0.6170 0.6170 -0.0066 -0.0344 0.0198 17 LEU L CG +18859 C CD1 . LEU K 17 ? 0.5714 0.4924 0.4920 -0.0086 -0.0328 0.0204 17 LEU L CD1 +18860 C CD2 . LEU K 17 ? 0.6225 0.5454 0.5437 -0.0050 -0.0365 0.0188 17 LEU L CD2 +18861 N N . TYR K 18 ? 0.5986 0.5182 0.5222 -0.0052 -0.0337 0.0196 18 TYR L N +18862 C CA . TYR K 18 ? 0.6711 0.5943 0.5991 -0.0055 -0.0336 0.0183 18 TYR L CA +18863 C C . TYR K 18 ? 0.6373 0.5592 0.5657 -0.0070 -0.0318 0.0188 18 TYR L C +18864 O O . TYR K 18 ? 0.6541 0.5787 0.5855 -0.0085 -0.0309 0.0182 18 TYR L O +18865 C CB . TYR K 18 ? 0.5952 0.5192 0.5240 -0.0030 -0.0352 0.0175 18 TYR L CB +18866 C CG . TYR K 18 ? 0.7074 0.6341 0.6372 -0.0015 -0.0372 0.0165 18 TYR L CG +18867 C CD1 . TYR K 18 ? 0.6745 0.6045 0.6064 -0.0028 -0.0374 0.0158 18 TYR L CD1 +18868 C CD2 . TYR K 18 ? 0.6868 0.6126 0.6152 0.0012 -0.0390 0.0162 18 TYR L CD2 +18869 C CE1 . TYR K 18 ? 0.7254 0.6579 0.6583 -0.0016 -0.0393 0.0148 18 TYR L CE1 +18870 C CE2 . TYR K 18 ? 0.6561 0.5846 0.5856 0.0026 -0.0410 0.0152 18 TYR L CE2 +18871 C CZ . TYR K 18 ? 0.7420 0.6739 0.6738 0.0011 -0.0412 0.0145 18 TYR L CZ +18872 O OH . TYR K 18 ? 0.6805 0.6152 0.6135 0.0024 -0.0433 0.0134 18 TYR L OH +18873 N N A LEU K 19 ? 0.6187 0.5362 0.5437 -0.0067 -0.0313 0.0199 19 LEU L N +18874 N N B LEU K 19 ? 0.6188 0.5363 0.5439 -0.0067 -0.0313 0.0199 19 LEU L N +18875 C CA A LEU K 19 ? 0.6366 0.5526 0.5618 -0.0082 -0.0297 0.0203 19 LEU L CA +18876 C CA B LEU K 19 ? 0.6374 0.5534 0.5626 -0.0082 -0.0297 0.0203 19 LEU L CA +18877 C C A LEU K 19 ? 0.5833 0.5003 0.5093 -0.0106 -0.0284 0.0207 19 LEU L C +18878 C C B LEU K 19 ? 0.5826 0.4996 0.5086 -0.0106 -0.0284 0.0207 19 LEU L C +18879 O O A LEU K 19 ? 0.6175 0.5360 0.5457 -0.0120 -0.0274 0.0203 19 LEU L O +18880 O O B LEU K 19 ? 0.6175 0.5360 0.5457 -0.0120 -0.0274 0.0203 19 LEU L O +18881 C CB A LEU K 19 ? 0.5902 0.5009 0.5114 -0.0075 -0.0294 0.0214 19 LEU L CB +18882 C CB B LEU K 19 ? 0.5890 0.4998 0.5103 -0.0074 -0.0295 0.0213 19 LEU L CB +18883 C CG A LEU K 19 ? 0.6610 0.5698 0.5811 -0.0051 -0.0305 0.0211 19 LEU L CG +18884 C CG B LEU K 19 ? 0.6604 0.5695 0.5808 -0.0050 -0.0306 0.0209 19 LEU L CG +18885 C CD1 A LEU K 19 ? 0.7145 0.6174 0.6296 -0.0043 -0.0304 0.0224 19 LEU L CD1 +18886 C CD1 B LEU K 19 ? 0.7141 0.6174 0.6295 -0.0040 -0.0306 0.0222 19 LEU L CD1 +18887 C CD2 A LEU K 19 ? 0.6571 0.5669 0.5796 -0.0054 -0.0299 0.0202 19 LEU L CD2 +18888 C CD2 B LEU K 19 ? 0.6564 0.5664 0.5792 -0.0053 -0.0299 0.0202 19 LEU L CD2 +18889 N N . GLY K 20 ? 0.5717 0.4878 0.4957 -0.0110 -0.0283 0.0214 20 GLY L N +18890 C CA . GLY K 20 ? 0.5877 0.5048 0.5124 -0.0131 -0.0270 0.0218 20 GLY L CA +18891 C C . GLY K 20 ? 0.6273 0.5487 0.5556 -0.0139 -0.0271 0.0207 20 GLY L C +18892 O O . GLY K 20 ? 0.6636 0.5863 0.5935 -0.0155 -0.0260 0.0206 20 GLY L O +18893 N N . LEU K 21 ? 0.6270 0.5507 0.5565 -0.0128 -0.0284 0.0199 21 LEU L N +18894 C CA . LEU K 21 ? 0.5795 0.5070 0.5122 -0.0137 -0.0284 0.0189 21 LEU L CA +18895 C C . LEU K 21 ? 0.6056 0.5347 0.5410 -0.0142 -0.0278 0.0182 21 LEU L C +18896 O O . LEU K 21 ? 0.6113 0.5423 0.5486 -0.0157 -0.0270 0.0178 21 LEU L O +18897 C CB . LEU K 21 ? 0.6114 0.5410 0.5449 -0.0125 -0.0299 0.0180 21 LEU L CB +18898 C CG . LEU K 21 ? 0.6713 0.5999 0.6024 -0.0122 -0.0305 0.0185 21 LEU L CG +18899 C CD1 . LEU K 21 ? 0.6100 0.5408 0.5421 -0.0110 -0.0323 0.0174 21 LEU L CD1 +18900 C CD2 . LEU K 21 ? 0.6837 0.6127 0.6148 -0.0140 -0.0293 0.0188 21 LEU L CD2 +18901 N N . LEU K 22 ? 0.5924 0.5205 0.5278 -0.0130 -0.0281 0.0179 22 LEU L N +18902 C CA . LEU K 22 ? 0.6140 0.5433 0.5516 -0.0134 -0.0275 0.0172 22 LEU L CA +18903 C C . LEU K 22 ? 0.6163 0.5442 0.5534 -0.0150 -0.0261 0.0178 22 LEU L C +18904 O O . LEU K 22 ? 0.6816 0.6112 0.6206 -0.0161 -0.0254 0.0173 22 LEU L O +18905 C CB . LEU K 22 ? 0.6446 0.5729 0.5819 -0.0115 -0.0282 0.0169 22 LEU L CB +18906 C CG . LEU K 22 ? 0.6333 0.5624 0.5725 -0.0116 -0.0275 0.0162 22 LEU L CG +18907 C CD1 . LEU K 22 ? 0.7319 0.6654 0.6747 -0.0117 -0.0276 0.0149 22 LEU L CD1 +18908 C CD2 . LEU K 22 ? 0.7102 0.6369 0.6481 -0.0096 -0.0281 0.0161 22 LEU L CD2 +18909 N N . LEU K 23 ? 0.6068 0.5314 0.5411 -0.0153 -0.0257 0.0189 23 LEU L N +18910 C CA . LEU K 23 ? 0.6054 0.5288 0.5393 -0.0170 -0.0245 0.0195 23 LEU L CA +18911 C C . LEU K 23 ? 0.6884 0.6143 0.6238 -0.0185 -0.0239 0.0193 23 LEU L C +18912 O O . LEU K 23 ? 0.6029 0.5298 0.5397 -0.0196 -0.0232 0.0190 23 LEU L O +18913 C CB . LEU K 23 ? 0.6324 0.5523 0.5633 -0.0172 -0.0242 0.0206 23 LEU L CB +18914 C CG . LEU K 23 ? 0.6775 0.5965 0.6081 -0.0191 -0.0229 0.0212 23 LEU L CG +18915 C CD1 . LEU K 23 ? 0.6032 0.5214 0.5345 -0.0195 -0.0226 0.0208 23 LEU L CD1 +18916 C CD2 . LEU K 23 ? 0.6893 0.6053 0.6171 -0.0195 -0.0224 0.0224 23 LEU L CD2 +18917 N N . ILE K 24 ? 0.5870 0.5136 0.5219 -0.0184 -0.0243 0.0196 24 ILE L N +18918 C CA . ILE K 24 ? 0.6397 0.5682 0.5756 -0.0197 -0.0237 0.0195 24 ILE L CA +18919 C C . ILE K 24 ? 0.6255 0.5567 0.5639 -0.0200 -0.0238 0.0185 24 ILE L C +18920 O O . ILE K 24 ? 0.6301 0.5622 0.5694 -0.0211 -0.0230 0.0184 24 ILE L O +18921 C CB . ILE K 24 ? 0.6921 0.6203 0.6265 -0.0193 -0.0241 0.0200 24 ILE L CB +18922 C CG1 . ILE K 24 ? 0.6358 0.5612 0.5675 -0.0194 -0.0236 0.0211 24 ILE L CG1 +18923 C CG2 . ILE K 24 ? 0.5412 0.4714 0.4766 -0.0204 -0.0237 0.0197 24 ILE L CG2 +18924 C CD1 . ILE K 24 ? 0.9025 0.8268 0.8321 -0.0184 -0.0242 0.0216 24 ILE L CD1 +18925 N N . LEU K 25 ? 0.5868 0.5195 0.5264 -0.0190 -0.0246 0.0177 25 LEU L N +18926 C CA . LEU K 25 ? 0.5670 0.5023 0.5090 -0.0194 -0.0244 0.0167 25 LEU L CA +18927 C C . LEU K 25 ? 0.6186 0.5538 0.5616 -0.0199 -0.0236 0.0164 25 LEU L C +18928 O O . LEU K 25 ? 0.6306 0.5669 0.5745 -0.0210 -0.0229 0.0161 25 LEU L O +18929 C CB . LEU K 25 ? 0.5639 0.5011 0.5074 -0.0182 -0.0255 0.0158 25 LEU L CB +18930 C CG . LEU K 25 ? 0.6374 0.5750 0.5802 -0.0179 -0.0264 0.0159 25 LEU L CG +18931 C CD1 . LEU K 25 ? 0.6177 0.5571 0.5618 -0.0166 -0.0277 0.0150 25 LEU L CD1 +18932 C CD2 . LEU K 25 ? 0.6320 0.5709 0.5755 -0.0194 -0.0258 0.0157 25 LEU L CD2 +18933 N N . VAL K 26 ? 0.6170 0.5505 0.5592 -0.0191 -0.0237 0.0166 26 VAL L N +18934 C CA . VAL K 26 ? 0.6979 0.6309 0.6405 -0.0196 -0.0230 0.0163 26 VAL L CA +18935 C C . VAL K 26 ? 0.5747 0.5067 0.5165 -0.0210 -0.0222 0.0168 26 VAL L C +18936 O O . VAL K 26 ? 0.5842 0.5169 0.5268 -0.0218 -0.0216 0.0164 26 VAL L O +18937 C CB . VAL K 26 ? 0.7076 0.6386 0.6494 -0.0183 -0.0233 0.0163 26 VAL L CB +18938 C CG1 . VAL K 26 ? 0.6548 0.5847 0.5964 -0.0189 -0.0226 0.0161 26 VAL L CG1 +18939 C CG2 . VAL K 26 ? 0.6920 0.6248 0.6353 -0.0168 -0.0241 0.0154 26 VAL L CG2 +18940 N N . LEU K 27 ? 0.5836 0.5141 0.5239 -0.0214 -0.0222 0.0177 27 LEU L N +18941 C CA . LEU K 27 ? 0.5864 0.5165 0.5262 -0.0227 -0.0215 0.0182 27 LEU L CA +18942 C C . LEU K 27 ? 0.5757 0.5079 0.5166 -0.0235 -0.0213 0.0179 27 LEU L C +18943 O O . LEU K 27 ? 0.5799 0.5124 0.5211 -0.0243 -0.0208 0.0178 27 LEU L O +18944 C CB . LEU K 27 ? 0.5547 0.4832 0.4929 -0.0230 -0.0215 0.0192 27 LEU L CB +18945 C CG . LEU K 27 ? 0.6081 0.5337 0.5447 -0.0229 -0.0213 0.0196 27 LEU L CG +18946 C CD1 . LEU K 27 ? 0.6605 0.5847 0.5956 -0.0234 -0.0210 0.0206 27 LEU L CD1 +18947 C CD2 . LEU K 27 ? 0.5767 0.5018 0.5138 -0.0238 -0.0209 0.0193 27 LEU L CD2 +18948 N N . ALA K 28 ? 0.5889 0.5224 0.5302 -0.0231 -0.0216 0.0178 28 ALA L N +18949 C CA . ALA K 28 ? 0.5965 0.5315 0.5385 -0.0237 -0.0214 0.0174 28 ALA L CA +18950 C C . ALA K 28 ? 0.5821 0.5182 0.5254 -0.0240 -0.0210 0.0166 28 ALA L C +18951 O O . ALA K 28 ? 0.6104 0.5468 0.5537 -0.0248 -0.0205 0.0165 28 ALA L O +18952 C CB . ALA K 28 ? 0.5643 0.5002 0.5063 -0.0233 -0.0219 0.0173 28 ALA L CB +18953 N N . LEU K 29 ? 0.5916 0.5282 0.5358 -0.0233 -0.0212 0.0160 29 LEU L N +18954 C CA . LEU K 29 ? 0.6358 0.5734 0.5812 -0.0235 -0.0207 0.0152 29 LEU L CA +18955 C C . LEU K 29 ? 0.6827 0.6190 0.6273 -0.0240 -0.0201 0.0153 29 LEU L C +18956 O O . LEU K 29 ? 0.7105 0.6473 0.6555 -0.0246 -0.0194 0.0148 29 LEU L O +18957 C CB . LEU K 29 ? 0.6204 0.5589 0.5671 -0.0224 -0.0210 0.0145 29 LEU L CB +18958 C CG . LEU K 29 ? 0.6241 0.5645 0.5726 -0.0226 -0.0203 0.0135 29 LEU L CG +18959 C CD1 . LEU K 29 ? 0.6115 0.5535 0.5609 -0.0236 -0.0201 0.0132 29 LEU L CD1 +18960 C CD2 . LEU K 29 ? 0.7710 0.7126 0.7211 -0.0213 -0.0207 0.0128 29 LEU L CD2 +18961 N N . LEU K 30 ? 0.6185 0.5531 0.5620 -0.0240 -0.0203 0.0159 30 LEU L N +18962 C CA . LEU K 30 ? 0.5495 0.4828 0.4923 -0.0245 -0.0199 0.0159 30 LEU L CA +18963 C C . LEU K 30 ? 0.6384 0.5719 0.5806 -0.0255 -0.0197 0.0162 30 LEU L C +18964 O O . LEU K 30 ? 0.5706 0.5041 0.5126 -0.0260 -0.0193 0.0159 30 LEU L O +18965 C CB . LEU K 30 ? 0.6226 0.5539 0.5644 -0.0242 -0.0202 0.0163 30 LEU L CB +18966 C CG . LEU K 30 ? 0.6540 0.5838 0.5949 -0.0249 -0.0200 0.0163 30 LEU L CG +18967 C CD1 . LEU K 30 ? 0.5502 0.4800 0.4913 -0.0248 -0.0196 0.0155 30 LEU L CD1 +18968 C CD2 . LEU K 30 ? 0.5533 0.4809 0.4931 -0.0248 -0.0202 0.0168 30 LEU L CD2 +18969 N N . PHE K 31 ? 0.5716 0.5052 0.5135 -0.0257 -0.0199 0.0169 31 PHE L N +18970 C CA . PHE K 31 ? 0.5775 0.5112 0.5190 -0.0264 -0.0198 0.0173 31 PHE L CA +18971 C C . PHE K 31 ? 0.6499 0.5847 0.5915 -0.0266 -0.0196 0.0171 31 PHE L C +18972 O O . PHE K 31 ? 0.5901 0.5250 0.5312 -0.0271 -0.0194 0.0172 31 PHE L O +18973 C CB . PHE K 31 ? 0.6106 0.5440 0.5517 -0.0265 -0.0199 0.0180 31 PHE L CB +18974 C CG . PHE K 31 ? 0.6342 0.5662 0.5748 -0.0269 -0.0199 0.0182 31 PHE L CG +18975 C CD1 . PHE K 31 ? 0.6357 0.5679 0.5765 -0.0277 -0.0198 0.0182 31 PHE L CD1 +18976 C CD2 . PHE K 31 ? 0.6171 0.5477 0.5573 -0.0265 -0.0200 0.0184 31 PHE L CD2 +18977 C CE1 . PHE K 31 ? 0.6284 0.5594 0.5690 -0.0283 -0.0198 0.0183 31 PHE L CE1 +18978 C CE2 . PHE K 31 ? 0.7281 0.6571 0.6677 -0.0271 -0.0200 0.0186 31 PHE L CE2 +18979 C CZ . PHE K 31 ? 0.6106 0.5399 0.5505 -0.0281 -0.0198 0.0185 31 PHE L CZ +18980 N N . SER K 32 ? 0.5343 0.4699 0.4764 -0.0263 -0.0196 0.0168 32 SER L N +18981 C CA . SER K 32 ? 0.6060 0.5423 0.5480 -0.0266 -0.0193 0.0166 32 SER L CA +18982 C C . SER K 32 ? 0.5684 0.5044 0.5099 -0.0271 -0.0188 0.0163 32 SER L C +18983 O O . SER K 32 ? 0.6229 0.5586 0.5635 -0.0274 -0.0187 0.0165 32 SER L O +18984 C CB . SER K 32 ? 0.5967 0.5340 0.5397 -0.0264 -0.0194 0.0161 32 SER L CB +18985 O OG . SER K 32 ? 0.6251 0.5627 0.5690 -0.0262 -0.0191 0.0155 32 SER L OG +18986 N N . SER K 33 ? 0.5430 0.4787 0.4847 -0.0271 -0.0185 0.0158 33 SER L N +18987 C CA . SER K 33 ? 0.5182 0.4532 0.4589 -0.0275 -0.0180 0.0156 33 SER L CA +18988 C C . SER K 33 ? 0.6314 0.5657 0.5709 -0.0277 -0.0183 0.0160 33 SER L C +18989 O O . SER K 33 ? 0.5915 0.5252 0.5298 -0.0278 -0.0181 0.0160 33 SER L O +18990 C CB . SER K 33 ? 0.4904 0.4250 0.4312 -0.0274 -0.0176 0.0150 33 SER L CB +18991 O OG . SER K 33 ? 0.6190 0.5546 0.5611 -0.0271 -0.0172 0.0145 33 SER L OG +18992 N N . TYR K 34 ? 0.5744 0.5087 0.5143 -0.0276 -0.0188 0.0163 34 TYR L N +18993 C CA . TYR K 34 ? 0.5741 0.5082 0.5134 -0.0278 -0.0192 0.0166 34 TYR L CA +18994 C C . TYR K 34 ? 0.5853 0.5200 0.5244 -0.0277 -0.0194 0.0171 34 TYR L C +18995 O O . TYR K 34 ? 0.5843 0.5191 0.5228 -0.0277 -0.0196 0.0171 34 TYR L O +18996 C CB . TYR K 34 ? 0.5177 0.4515 0.4575 -0.0280 -0.0196 0.0167 34 TYR L CB +18997 C CG . TYR K 34 ? 0.5628 0.4956 0.5024 -0.0279 -0.0195 0.0162 34 TYR L CG +18998 C CD1 . TYR K 34 ? 0.4868 0.4187 0.4255 -0.0282 -0.0196 0.0158 34 TYR L CD1 +18999 C CD2 . TYR K 34 ? 0.4933 0.4259 0.4334 -0.0275 -0.0193 0.0161 34 TYR L CD2 +19000 C CE1 . TYR K 34 ? 0.6188 0.5497 0.5572 -0.0281 -0.0194 0.0153 34 TYR L CE1 +19001 C CE2 . TYR K 34 ? 0.5210 0.4526 0.4610 -0.0273 -0.0191 0.0156 34 TYR L CE2 +19002 C CZ . TYR K 34 ? 0.5510 0.4817 0.4900 -0.0276 -0.0191 0.0152 34 TYR L CZ +19003 O OH . TYR K 34 ? 0.6434 0.5730 0.5820 -0.0273 -0.0189 0.0146 34 TYR L OH +19004 N N . PHE K 35 ? 0.5898 0.5250 0.5295 -0.0275 -0.0193 0.0173 35 PHE L N +19005 C CA . PHE K 35 ? 0.6596 0.5953 0.5990 -0.0273 -0.0193 0.0177 35 PHE L CA +19006 C C . PHE K 35 ? 0.6123 0.5474 0.5505 -0.0273 -0.0191 0.0174 35 PHE L C +19007 O O . PHE K 35 ? 0.6366 0.5716 0.5740 -0.0270 -0.0192 0.0177 35 PHE L O +19008 C CB . PHE K 35 ? 0.6304 0.5664 0.5702 -0.0271 -0.0194 0.0179 35 PHE L CB +19009 C CG . PHE K 35 ? 0.6073 0.5433 0.5476 -0.0270 -0.0196 0.0183 35 PHE L CG +19010 C CD1 . PHE K 35 ? 0.6445 0.5805 0.5851 -0.0273 -0.0196 0.0184 35 PHE L CD1 +19011 C CD2 . PHE K 35 ? 0.6099 0.5459 0.5503 -0.0267 -0.0197 0.0185 35 PHE L CD2 +19012 C CE1 . PHE K 35 ? 0.6881 0.6237 0.6289 -0.0274 -0.0196 0.0188 35 PHE L CE1 +19013 C CE2 . PHE K 35 ? 0.5911 0.5267 0.5315 -0.0266 -0.0198 0.0189 35 PHE L CE2 +19014 C CZ . PHE K 35 ? 0.6902 0.6255 0.6308 -0.0270 -0.0197 0.0191 35 PHE L CZ +19015 N N . PHE K 36 ? 0.6836 0.6183 0.6217 -0.0275 -0.0187 0.0170 36 PHE L N +19016 C CA . PHE K 36 ? 0.6197 0.5535 0.5565 -0.0277 -0.0182 0.0168 36 PHE L CA +19017 C C . PHE K 36 ? 0.6863 0.6191 0.6217 -0.0277 -0.0182 0.0167 36 PHE L C +19018 O O . PHE K 36 ? 0.6151 0.5469 0.5489 -0.0275 -0.0181 0.0168 36 PHE L O +19019 C CB . PHE K 36 ? 0.6088 0.5426 0.5460 -0.0281 -0.0176 0.0163 36 PHE L CB +19020 C CG . PHE K 36 ? 0.6599 0.5944 0.5980 -0.0282 -0.0177 0.0162 36 PHE L CG +19021 C CD1 . PHE K 36 ? 0.5791 0.5130 0.5162 -0.0282 -0.0177 0.0164 36 PHE L CD1 +19022 C CD2 . PHE K 36 ? 0.6054 0.5411 0.5452 -0.0281 -0.0178 0.0159 36 PHE L CD2 +19023 C CE1 . PHE K 36 ? 0.6002 0.5347 0.5380 -0.0283 -0.0179 0.0163 36 PHE L CE1 +19024 C CE2 . PHE K 36 ? 0.6550 0.5915 0.5956 -0.0281 -0.0181 0.0158 36 PHE L CE2 +19025 C CZ . PHE K 36 ? 0.6016 0.5374 0.5411 -0.0283 -0.0181 0.0159 36 PHE L CZ +19026 N N . ASN K 37 ? 0.6084 0.5413 0.5443 -0.0277 -0.0184 0.0165 37 ASN L N +19027 C CA . ASN K 37 ? 0.5462 0.4782 0.4808 -0.0277 -0.0186 0.0164 37 ASN L CA +19028 C C . ASN K 37 ? 0.6367 0.5672 0.5693 -0.0277 -0.0179 0.0161 37 ASN L C +19029 O O . ASN K 37 ? 0.5889 0.5183 0.5195 -0.0274 -0.0181 0.0163 37 ASN L O +19030 C CB . ASN K 37 ? 0.6027 0.5353 0.5371 -0.0273 -0.0194 0.0167 37 ASN L CB +19031 C CG . ASN K 37 ? 0.6148 0.5471 0.5486 -0.0273 -0.0199 0.0164 37 ASN L CG +19032 O OD1 . ASN K 37 ? 0.6292 0.5605 0.5623 -0.0275 -0.0197 0.0160 37 ASN L OD1 +19033 N ND2 . ASN K 37 ? 0.6662 0.5993 0.6002 -0.0270 -0.0207 0.0166 37 ASN L ND2 +19034 O OXT . ASN K 37 ? 0.5994 0.5296 0.5321 -0.0281 -0.0171 0.0158 37 ASN L OXT +19035 N N . FME L 1 ? 1.0505 0.9711 0.9740 -0.0324 -0.0105 0.0154 1 FME M N +19036 C CN . FME L 1 ? 1.1911 1.1087 1.1117 -0.0331 -0.0093 0.0154 1 FME M CN +19037 O O1 . FME L 1 ? 1.4253 1.3409 1.3432 -0.0328 -0.0088 0.0156 1 FME M O1 +19038 C CA . FME L 1 ? 0.8093 0.7304 0.7326 -0.0312 -0.0116 0.0157 1 FME M CA +19039 C CB . FME L 1 ? 0.8797 0.8035 0.8061 -0.0311 -0.0118 0.0152 1 FME M CB +19040 C CG . FME L 1 ? 0.9162 0.8406 0.8435 -0.0321 -0.0104 0.0146 1 FME M CG +19041 S SD . FME L 1 ? 0.8212 0.7433 0.7455 -0.0319 -0.0095 0.0145 1 FME M SD +19042 C CE . FME L 1 ? 0.7115 0.6352 0.6372 -0.0309 -0.0107 0.0144 1 FME M CE +19043 C C . FME L 1 ? 0.7370 0.6582 0.6601 -0.0302 -0.0130 0.0161 1 FME M C +19044 O O . FME L 1 ? 0.8194 0.7417 0.7440 -0.0303 -0.0134 0.0161 1 FME M O +19045 N N . GLU L 2 ? 0.7281 0.6484 0.6494 -0.0291 -0.0139 0.0165 2 GLU M N +19046 C CA . GLU L 2 ? 0.6622 0.5829 0.5835 -0.0281 -0.0151 0.0169 2 GLU M CA +19047 C C . GLU L 2 ? 0.7975 0.7213 0.7219 -0.0277 -0.0160 0.0169 2 GLU M C +19048 O O . GLU L 2 ? 0.7470 0.6713 0.6714 -0.0271 -0.0169 0.0170 2 GLU M O +19049 C CB . GLU L 2 ? 0.6820 0.6006 0.6001 -0.0271 -0.0156 0.0172 2 GLU M CB +19050 C CG . GLU L 2 ? 1.1716 1.0867 1.0862 -0.0274 -0.0146 0.0174 2 GLU M CG +19051 C CD . GLU L 2 ? 1.4980 1.4105 1.4090 -0.0261 -0.0152 0.0178 2 GLU M CD +19052 O OE1 . GLU L 2 ? 1.3798 1.2936 1.2916 -0.0250 -0.0165 0.0180 2 GLU M OE1 +19053 O OE2 . GLU L 2 ? 1.6339 1.5432 1.5414 -0.0262 -0.0145 0.0179 2 GLU M OE2 +19054 N N . VAL L 3 ? 0.6929 0.6183 0.6197 -0.0283 -0.0159 0.0167 3 VAL M N +19055 C CA . VAL L 3 ? 0.6159 0.5438 0.5453 -0.0280 -0.0167 0.0167 3 VAL M CA +19056 C C . VAL L 3 ? 0.7190 0.6473 0.6483 -0.0272 -0.0174 0.0172 3 VAL M C +19057 O O . VAL L 3 ? 0.6599 0.5869 0.5876 -0.0269 -0.0174 0.0174 3 VAL M O +19058 C CB . VAL L 3 ? 0.6890 0.6183 0.6207 -0.0286 -0.0163 0.0164 3 VAL M CB +19059 C CG1 . VAL L 3 ? 0.7481 0.6773 0.6800 -0.0292 -0.0155 0.0159 3 VAL M CG1 +19060 C CG2 . VAL L 3 ? 0.5837 0.5127 0.5153 -0.0290 -0.0161 0.0163 3 VAL M CG2 +19061 N N . ASN L 4 ? 0.6826 0.6127 0.6137 -0.0269 -0.0181 0.0173 4 ASN M N +19062 C CA . ASN L 4 ? 0.6325 0.5634 0.5639 -0.0262 -0.0187 0.0177 4 ASN M CA +19063 C C . ASN L 4 ? 0.6766 0.6077 0.6086 -0.0264 -0.0184 0.0177 4 ASN M C +19064 O O . ASN L 4 ? 0.7345 0.6665 0.6680 -0.0269 -0.0183 0.0175 4 ASN M O +19065 C CB . ASN L 4 ? 0.6552 0.5879 0.5884 -0.0261 -0.0192 0.0178 4 ASN M CB +19066 C CG . ASN L 4 ? 0.8527 0.7867 0.7867 -0.0256 -0.0195 0.0182 4 ASN M CG +19067 O OD1 . ASN L 4 ? 0.8591 0.7925 0.7921 -0.0251 -0.0195 0.0183 4 ASN M OD1 +19068 N ND2 . ASN L 4 ? 1.0581 0.9936 0.9938 -0.0257 -0.0198 0.0183 4 ASN M ND2 +19069 N N . GLN L 5 ? 0.6675 0.5976 0.5981 -0.0260 -0.0184 0.0179 5 GLN M N +19070 C CA . GLN L 5 ? 0.8994 0.8294 0.8303 -0.0264 -0.0182 0.0177 5 GLN M CA +19071 C C . GLN L 5 ? 0.7889 0.7205 0.7212 -0.0261 -0.0186 0.0179 5 GLN M C +19072 O O . GLN L 5 ? 0.8031 0.7350 0.7361 -0.0264 -0.0186 0.0177 5 GLN M O +19073 C CB . GLN L 5 ? 0.8955 0.8234 0.8240 -0.0261 -0.0180 0.0178 5 GLN M CB +19074 C CG . GLN L 5 ? 1.1424 1.0683 1.0694 -0.0269 -0.0173 0.0175 5 GLN M CG +19075 C CD . GLN L 5 ? 1.4724 1.3960 1.3975 -0.0271 -0.0170 0.0173 5 GLN M CD +19076 O OE1 . GLN L 5 ? 1.4870 1.4112 1.4130 -0.0276 -0.0170 0.0170 5 GLN M OE1 +19077 N NE2 . GLN L 5 ? 1.7604 1.6815 1.6828 -0.0267 -0.0167 0.0175 5 GLN M NE2 +19078 N N . LEU L 6 ? 0.6691 0.6017 0.6020 -0.0254 -0.0189 0.0183 6 LEU M N +19079 C CA . LEU L 6 ? 0.7106 0.6447 0.6448 -0.0253 -0.0191 0.0185 6 LEU M CA +19080 C C . LEU L 6 ? 0.6291 0.5639 0.5648 -0.0259 -0.0191 0.0184 6 LEU M C +19081 O O . LEU L 6 ? 0.6650 0.6004 0.6014 -0.0258 -0.0192 0.0186 6 LEU M O +19082 C CB . LEU L 6 ? 0.7100 0.6454 0.6449 -0.0248 -0.0192 0.0189 6 LEU M CB +19083 C CG . LEU L 6 ? 0.8751 0.8103 0.8090 -0.0239 -0.0192 0.0191 6 LEU M CG +19084 C CD1 . LEU L 6 ? 0.8176 0.7546 0.7527 -0.0235 -0.0194 0.0193 6 LEU M CD1 +19085 C CD2 . LEU L 6 ? 0.7200 0.6546 0.6531 -0.0236 -0.0190 0.0191 6 LEU M CD2 +19086 N N . GLY L 7 ? 0.5906 0.5251 0.5266 -0.0264 -0.0190 0.0180 7 GLY M N +19087 C CA . GLY L 7 ? 0.5991 0.5342 0.5364 -0.0268 -0.0190 0.0178 7 GLY M CA +19088 C C . GLY L 7 ? 0.6422 0.5776 0.5799 -0.0268 -0.0191 0.0176 7 GLY M C +19089 O O . GLY L 7 ? 0.6720 0.6080 0.6107 -0.0267 -0.0194 0.0177 7 GLY M O +19090 N N . LEU L 8 ? 0.5658 0.5006 0.5027 -0.0269 -0.0190 0.0174 8 LEU M N +19091 C CA . LEU L 8 ? 0.5826 0.5176 0.5199 -0.0271 -0.0192 0.0170 8 LEU M CA +19092 C C . LEU L 8 ? 0.6170 0.5524 0.5543 -0.0264 -0.0197 0.0174 8 LEU M C +19093 O O . LEU L 8 ? 0.6498 0.5859 0.5879 -0.0262 -0.0201 0.0174 8 LEU M O +19094 C CB . LEU L 8 ? 0.6072 0.5412 0.5434 -0.0275 -0.0190 0.0167 8 LEU M CB +19095 C CG . LEU L 8 ? 0.7229 0.6574 0.6598 -0.0278 -0.0193 0.0161 8 LEU M CG +19096 C CD1 . LEU L 8 ? 0.7101 0.6460 0.6490 -0.0282 -0.0194 0.0156 8 LEU M CD1 +19097 C CD2 . LEU L 8 ? 0.6084 0.5415 0.5441 -0.0285 -0.0190 0.0157 8 LEU M CD2 +19098 N N . ILE L 9 ? 0.6308 0.5656 0.5668 -0.0260 -0.0196 0.0179 9 ILE M N +19099 C CA . ILE L 9 ? 0.6031 0.5381 0.5387 -0.0254 -0.0199 0.0183 9 ILE M CA +19100 C C . ILE L 9 ? 0.6192 0.5548 0.5557 -0.0253 -0.0199 0.0187 9 ILE M C +19101 O O . ILE L 9 ? 0.6023 0.5379 0.5386 -0.0250 -0.0201 0.0190 9 ILE M O +19102 C CB . ILE L 9 ? 0.6682 0.6025 0.6023 -0.0249 -0.0197 0.0186 9 ILE M CB +19103 C CG1 . ILE L 9 ? 0.6861 0.6204 0.6195 -0.0244 -0.0198 0.0189 9 ILE M CG1 +19104 C CG2 . ILE L 9 ? 0.5820 0.5168 0.5163 -0.0247 -0.0193 0.0190 9 ILE M CG2 +19105 C CD1 . ILE L 9 ? 0.6455 0.5792 0.5775 -0.0237 -0.0195 0.0191 9 ILE M CD1 +19106 N N . ALA L 10 ? 0.6075 0.5435 0.5446 -0.0255 -0.0196 0.0189 10 ALA M N +19107 C CA . ALA L 10 ? 0.6523 0.5886 0.5902 -0.0256 -0.0196 0.0192 10 ALA M CA +19108 C C . ALA L 10 ? 0.6449 0.5811 0.5834 -0.0256 -0.0200 0.0190 10 ALA M C +19109 O O . ALA L 10 ? 0.6637 0.5996 0.6021 -0.0254 -0.0201 0.0193 10 ALA M O +19110 C CB . ALA L 10 ? 0.5455 0.4821 0.4840 -0.0260 -0.0194 0.0192 10 ALA M CB +19111 N N . THR L 11 ? 0.5869 0.5233 0.5260 -0.0259 -0.0201 0.0183 11 THR M N +19112 C CA . THR L 11 ? 0.6003 0.5369 0.5402 -0.0257 -0.0204 0.0180 11 THR M CA +19113 C C . THR L 11 ? 0.7077 0.6443 0.6471 -0.0251 -0.0210 0.0180 11 THR M C +19114 O O . THR L 11 ? 0.6581 0.5944 0.5975 -0.0246 -0.0214 0.0181 11 THR M O +19115 C CB . THR L 11 ? 0.6485 0.5856 0.5894 -0.0261 -0.0202 0.0173 11 THR M CB +19116 O OG1 . THR L 11 ? 0.6604 0.5972 0.6012 -0.0265 -0.0198 0.0173 11 THR M OG1 +19117 C CG2 . THR L 11 ? 0.5539 0.4916 0.4959 -0.0257 -0.0206 0.0168 11 THR M CG2 +19118 N N . ALA L 12 ? 0.6316 0.5681 0.5703 -0.0252 -0.0210 0.0178 12 ALA M N +19119 C CA . ALA L 12 ? 0.5832 0.5196 0.5213 -0.0247 -0.0217 0.0177 12 ALA M CA +19120 C C . ALA L 12 ? 0.6507 0.5863 0.5875 -0.0241 -0.0218 0.0184 12 ALA M C +19121 O O . ALA L 12 ? 0.6220 0.5573 0.5584 -0.0235 -0.0225 0.0184 12 ALA M O +19122 C CB . ALA L 12 ? 0.5872 0.5235 0.5247 -0.0251 -0.0217 0.0173 12 ALA M CB +19123 N N . LEU L 13 ? 0.6239 0.5591 0.5600 -0.0242 -0.0212 0.0191 13 LEU M N +19124 C CA . LEU L 13 ? 0.6369 0.5713 0.5717 -0.0237 -0.0210 0.0198 13 LEU M CA +19125 C C . LEU L 13 ? 0.6673 0.6012 0.6025 -0.0237 -0.0210 0.0202 13 LEU M C +19126 O O . LEU L 13 ? 0.6907 0.6236 0.6247 -0.0231 -0.0211 0.0206 13 LEU M O +19127 C CB . LEU L 13 ? 0.5868 0.5212 0.5211 -0.0239 -0.0202 0.0203 13 LEU M CB +19128 C CG . LEU L 13 ? 0.6973 0.6316 0.6306 -0.0237 -0.0202 0.0200 13 LEU M CG +19129 C CD1 . LEU L 13 ? 0.7433 0.6779 0.6763 -0.0235 -0.0194 0.0204 13 LEU M CD1 +19130 C CD2 . LEU L 13 ? 0.6830 0.6165 0.6149 -0.0231 -0.0207 0.0199 13 LEU M CD2 +19131 N N . PHE L 14 ? 0.6267 0.5611 0.5633 -0.0242 -0.0208 0.0199 14 PHE M N +19132 C CA . PHE L 14 ? 0.6294 0.5632 0.5663 -0.0241 -0.0209 0.0201 14 PHE M CA +19133 C C . PHE L 14 ? 0.6280 0.5613 0.5646 -0.0233 -0.0217 0.0199 14 PHE M C +19134 O O . PHE L 14 ? 0.6281 0.5600 0.5637 -0.0229 -0.0218 0.0204 14 PHE M O +19135 C CB . PHE L 14 ? 0.5896 0.5240 0.5279 -0.0247 -0.0206 0.0198 14 PHE M CB +19136 C CG . PHE L 14 ? 0.6551 0.5885 0.5935 -0.0248 -0.0205 0.0200 14 PHE M CG +19137 C CD1 . PHE L 14 ? 0.7529 0.6857 0.6913 -0.0242 -0.0210 0.0197 14 PHE M CD1 +19138 C CD2 . PHE L 14 ? 0.8605 0.7936 0.7990 -0.0256 -0.0200 0.0203 14 PHE M CD2 +19139 C CE1 . PHE L 14 ? 0.9868 0.9183 0.9250 -0.0243 -0.0209 0.0199 14 PHE M CE1 +19140 C CE2 . PHE L 14 ? 0.9377 0.8696 0.8761 -0.0258 -0.0199 0.0204 14 PHE M CE2 +19141 C CZ . PHE L 14 ? 0.9162 0.8471 0.8543 -0.0251 -0.0203 0.0203 14 PHE M CZ +19142 N N . VAL L 15 ? 0.6637 0.5980 0.6011 -0.0231 -0.0223 0.0191 15 VAL M N +19143 C CA . VAL L 15 ? 0.6320 0.5664 0.5694 -0.0222 -0.0232 0.0188 15 VAL M CA +19144 C C . VAL L 15 ? 0.7589 0.6923 0.6943 -0.0215 -0.0237 0.0192 15 VAL M C +19145 O O . VAL L 15 ? 0.6834 0.6155 0.6175 -0.0206 -0.0242 0.0195 15 VAL M O +19146 C CB . VAL L 15 ? 0.8173 0.7535 0.7565 -0.0223 -0.0236 0.0177 15 VAL M CB +19147 C CG1 . VAL L 15 ? 0.6709 0.6076 0.6103 -0.0213 -0.0248 0.0172 15 VAL M CG1 +19148 C CG2 . VAL L 15 ? 0.5711 0.5081 0.5120 -0.0229 -0.0231 0.0173 15 VAL M CG2 +19149 N N A LEU L 16 ? 0.6596 0.5932 0.5944 -0.0218 -0.0235 0.0191 16 LEU M N +19150 N N B LEU L 16 ? 0.6599 0.5935 0.5946 -0.0218 -0.0235 0.0191 16 LEU M N +19151 C CA A LEU L 16 ? 0.6790 0.6119 0.6119 -0.0211 -0.0242 0.0192 16 LEU M CA +19152 C CA B LEU L 16 ? 0.6802 0.6131 0.6131 -0.0211 -0.0241 0.0192 16 LEU M CA +19153 C C A LEU L 16 ? 0.6678 0.5988 0.5983 -0.0206 -0.0237 0.0202 16 LEU M C +19154 C C B LEU L 16 ? 0.6674 0.5984 0.5980 -0.0206 -0.0237 0.0202 16 LEU M C +19155 O O A LEU L 16 ? 0.6552 0.5849 0.5839 -0.0196 -0.0245 0.0204 16 LEU M O +19156 O O B LEU L 16 ? 0.6576 0.5874 0.5865 -0.0196 -0.0245 0.0204 16 LEU M O +19157 C CB A LEU L 16 ? 0.6161 0.5496 0.5489 -0.0216 -0.0240 0.0188 16 LEU M CB +19158 C CB B LEU L 16 ? 0.6111 0.5444 0.5437 -0.0217 -0.0238 0.0189 16 LEU M CB +19159 C CG A LEU L 16 ? 0.9630 0.8974 0.8964 -0.0214 -0.0252 0.0178 16 LEU M CG +19160 C CG B LEU L 16 ? 0.9459 0.8801 0.8789 -0.0216 -0.0248 0.0179 16 LEU M CG +19161 C CD1 A LEU L 16 ? 0.7833 0.7166 0.7145 -0.0203 -0.0262 0.0179 16 LEU M CD1 +19162 C CD1 B LEU L 16 ? 0.8185 0.7515 0.7491 -0.0207 -0.0255 0.0181 16 LEU M CD1 +19163 C CD2 A LEU L 16 ? 0.7934 0.7294 0.7293 -0.0215 -0.0256 0.0170 16 LEU M CD2 +19164 C CD2 B LEU L 16 ? 0.8674 0.8032 0.8027 -0.0216 -0.0255 0.0171 16 LEU M CD2 +19165 N N . VAL L 17 ? 0.6019 0.5325 0.5322 -0.0213 -0.0225 0.0209 17 VAL M N +19166 C CA . VAL L 17 ? 0.6540 0.5829 0.5821 -0.0210 -0.0219 0.0219 17 VAL M CA +19167 C C . VAL L 17 ? 0.5921 0.5191 0.5190 -0.0205 -0.0221 0.0224 17 VAL M C +19168 O O . VAL L 17 ? 0.7052 0.6306 0.6297 -0.0196 -0.0225 0.0228 17 VAL M O +19169 C CB . VAL L 17 ? 0.7384 0.6677 0.6670 -0.0219 -0.0205 0.0223 17 VAL M CB +19170 C CG1 . VAL L 17 ? 0.7032 0.6309 0.6300 -0.0220 -0.0196 0.0234 17 VAL M CG1 +19171 C CG2 . VAL L 17 ? 0.6725 0.6029 0.6012 -0.0220 -0.0204 0.0220 17 VAL M CG2 +19172 N N . PRO L 18 ? 0.6887 0.6158 0.6170 -0.0209 -0.0220 0.0224 18 PRO M N +19173 C CA . PRO L 18 ? 0.7137 0.6386 0.6405 -0.0202 -0.0223 0.0228 18 PRO M CA +19174 C C . PRO L 18 ? 0.6503 0.5750 0.5766 -0.0188 -0.0238 0.0223 18 PRO M C +19175 O O . PRO L 18 ? 0.6394 0.5618 0.5633 -0.0178 -0.0242 0.0228 18 PRO M O +19176 C CB . PRO L 18 ? 0.6771 0.6022 0.6057 -0.0209 -0.0218 0.0227 18 PRO M CB +19177 C CG . PRO L 18 ? 0.7504 0.6781 0.6815 -0.0216 -0.0218 0.0220 18 PRO M CG +19178 C CD . PRO L 18 ? 0.6256 0.5543 0.5564 -0.0218 -0.0216 0.0219 18 PRO M CD +19179 N N . SER L 19 ? 0.5697 0.4967 0.4981 -0.0187 -0.0246 0.0213 19 SER M N +19180 C CA . SER L 19 ? 0.5936 0.5209 0.5218 -0.0173 -0.0262 0.0206 19 SER M CA +19181 C C . SER L 19 ? 0.6892 0.6153 0.6147 -0.0165 -0.0268 0.0209 19 SER M C +19182 O O . SER L 19 ? 0.6868 0.6116 0.6106 -0.0151 -0.0279 0.0209 19 SER M O +19183 C CB . SER L 19 ? 0.6371 0.5674 0.5684 -0.0177 -0.0267 0.0194 19 SER M CB +19184 O OG . SER L 19 ? 0.7037 0.6349 0.6372 -0.0182 -0.0262 0.0191 19 SER M OG +19185 N N . VAL L 20 ? 0.6367 0.5631 0.5617 -0.0172 -0.0262 0.0210 20 VAL M N +19186 C CA . VAL L 20 ? 0.6805 0.6056 0.6026 -0.0164 -0.0267 0.0212 20 VAL M CA +19187 C C . VAL L 20 ? 0.6724 0.5944 0.5911 -0.0158 -0.0262 0.0224 20 VAL M C +19188 O O . VAL L 20 ? 0.6930 0.6132 0.6089 -0.0145 -0.0271 0.0226 20 VAL M O +19189 C CB . VAL L 20 ? 0.6340 0.5601 0.5564 -0.0173 -0.0259 0.0210 20 VAL M CB +19190 C CG1 . VAL L 20 ? 0.7988 0.7229 0.7178 -0.0169 -0.0255 0.0217 20 VAL M CG1 +19191 C CG2 . VAL L 20 ? 0.6799 0.6082 0.6042 -0.0176 -0.0269 0.0198 20 VAL M CG2 +19192 N N . PHE L 21 ? 0.6525 0.5737 0.5714 -0.0167 -0.0247 0.0232 21 PHE M N +19193 C CA . PHE L 21 ? 0.6966 0.6146 0.6124 -0.0164 -0.0239 0.0244 21 PHE M CA +19194 C C . PHE L 21 ? 0.7004 0.6165 0.6145 -0.0149 -0.0252 0.0244 21 PHE M C +19195 O O . PHE L 21 ? 0.6545 0.5678 0.5650 -0.0138 -0.0256 0.0251 21 PHE M O +19196 C CB . PHE L 21 ? 0.6464 0.5643 0.5635 -0.0178 -0.0223 0.0250 21 PHE M CB +19197 C CG . PHE L 21 ? 0.6749 0.5895 0.5892 -0.0178 -0.0214 0.0261 21 PHE M CG +19198 C CD1 . PHE L 21 ? 0.7788 0.6914 0.6901 -0.0178 -0.0204 0.0270 21 PHE M CD1 +19199 C CD2 . PHE L 21 ? 0.6699 0.5832 0.5846 -0.0179 -0.0215 0.0262 21 PHE M CD2 +19200 C CE1 . PHE L 21 ? 0.8378 0.7470 0.7462 -0.0179 -0.0194 0.0281 21 PHE M CE1 +19201 C CE2 . PHE L 21 ? 0.8315 0.7413 0.7434 -0.0180 -0.0206 0.0273 21 PHE M CE2 +19202 C CZ . PHE L 21 ? 0.6814 0.5891 0.5902 -0.0181 -0.0195 0.0282 21 PHE M CZ +19203 N N . LEU L 22 ? 0.6616 0.5789 0.5782 -0.0147 -0.0260 0.0238 22 LEU M N +19204 C CA . LEU L 22 ? 0.6126 0.5283 0.5280 -0.0131 -0.0273 0.0237 22 LEU M CA +19205 C C . LEU L 22 ? 0.7010 0.6170 0.6151 -0.0115 -0.0291 0.0231 22 LEU M C +19206 O O . LEU L 22 ? 0.6499 0.5633 0.5610 -0.0098 -0.0301 0.0235 22 LEU M O +19207 C CB . LEU L 22 ? 0.6564 0.5740 0.5750 -0.0132 -0.0276 0.0229 22 LEU M CB +19208 C CG . LEU L 22 ? 0.6773 0.5943 0.5971 -0.0146 -0.0261 0.0234 22 LEU M CG +19209 C CD1 . LEU L 22 ? 0.6307 0.5496 0.5535 -0.0144 -0.0267 0.0225 22 LEU M CD1 +19210 C CD2 . LEU L 22 ? 0.6350 0.5478 0.5513 -0.0143 -0.0254 0.0246 22 LEU M CD2 +19211 N N . ILE L 23 ? 0.6421 0.5612 0.5583 -0.0118 -0.0298 0.0221 23 ILE M N +19212 C CA . ILE L 23 ? 0.6452 0.5649 0.5606 -0.0105 -0.0317 0.0213 23 ILE M CA +19213 C C . ILE L 23 ? 0.5973 0.5141 0.5081 -0.0098 -0.0317 0.0221 23 ILE M C +19214 O O . ILE L 23 ? 0.6855 0.6007 0.5937 -0.0080 -0.0332 0.0221 23 ILE M O +19215 C CB . ILE L 23 ? 0.6620 0.5855 0.5808 -0.0114 -0.0321 0.0200 23 ILE M CB +19216 C CG1 . ILE L 23 ? 0.6510 0.5772 0.5740 -0.0118 -0.0323 0.0191 23 ILE M CG1 +19217 C CG2 . ILE L 23 ? 0.6736 0.5976 0.5913 -0.0104 -0.0340 0.0192 23 ILE M CG2 +19218 C CD1 . ILE L 23 ? 0.6756 0.6053 0.6020 -0.0130 -0.0324 0.0179 23 ILE M CD1 +19219 N N . ILE L 24 ? 0.7056 0.6214 0.6152 -0.0110 -0.0299 0.0229 24 ILE M N +19220 C CA . ILE L 24 ? 0.6403 0.5530 0.5453 -0.0103 -0.0296 0.0238 24 ILE M CA +19221 C C . ILE L 24 ? 0.6896 0.5985 0.5910 -0.0091 -0.0297 0.0248 24 ILE M C +19222 O O . ILE L 24 ? 0.7057 0.6121 0.6033 -0.0075 -0.0308 0.0251 24 ILE M O +19223 C CB . ILE L 24 ? 0.7096 0.6221 0.6144 -0.0119 -0.0274 0.0245 24 ILE M CB +19224 C CG1 . ILE L 24 ? 0.6812 0.5968 0.5885 -0.0127 -0.0275 0.0235 24 ILE M CG1 +19225 C CG2 . ILE L 24 ? 0.6587 0.5676 0.5584 -0.0112 -0.0266 0.0256 24 ILE M CG2 +19226 C CD1 . ILE L 24 ? 0.6427 0.5591 0.5512 -0.0143 -0.0254 0.0239 24 ILE M CD1 +19227 N N . LEU L 25 ? 0.6823 0.5902 0.5845 -0.0098 -0.0285 0.0255 25 LEU M N +19228 C CA . LEU L 25 ? 0.7044 0.6081 0.6029 -0.0088 -0.0284 0.0266 25 LEU M CA +19229 C C . LEU L 25 ? 0.6566 0.5598 0.5542 -0.0065 -0.0307 0.0260 25 LEU M C +19230 O O . LEU L 25 ? 0.6654 0.5649 0.5585 -0.0050 -0.0314 0.0267 25 LEU M O +19231 C CB . LEU L 25 ? 0.6357 0.5386 0.5356 -0.0101 -0.0268 0.0272 25 LEU M CB +19232 C CG . LEU L 25 ? 0.8446 0.7469 0.7442 -0.0120 -0.0243 0.0281 25 LEU M CG +19233 C CD1 . LEU L 25 ? 0.7238 0.6248 0.6242 -0.0132 -0.0230 0.0287 25 LEU M CD1 +19234 C CD2 . LEU L 25 ? 0.8499 0.7487 0.7445 -0.0116 -0.0235 0.0292 25 LEU M CD2 +19235 N N . TYR L 26 ? 0.6446 0.5513 0.5464 -0.0063 -0.0320 0.0247 26 TYR M N +19236 C CA . TYR L 26 ? 0.6646 0.5715 0.5663 -0.0042 -0.0343 0.0240 26 TYR M CA +19237 C C . TYR L 26 ? 0.7977 0.7043 0.6967 -0.0026 -0.0362 0.0236 26 TYR M C +19238 O O . TYR L 26 ? 0.6825 0.5863 0.5780 -0.0005 -0.0376 0.0239 26 TYR M O +19239 C CB . TYR L 26 ? 0.5604 0.4718 0.4675 -0.0045 -0.0350 0.0226 26 TYR M CB +19240 C CG . TYR L 26 ? 0.6896 0.6021 0.5972 -0.0022 -0.0375 0.0216 26 TYR M CG +19241 C CD1 . TYR L 26 ? 0.5681 0.4776 0.4733 -0.0003 -0.0383 0.0221 26 TYR M CD1 +19242 C CD2 . TYR L 26 ? 0.6907 0.6072 0.6012 -0.0020 -0.0391 0.0201 26 TYR M CD2 +19243 C CE1 . TYR L 26 ? 0.6740 0.5846 0.5796 0.0020 -0.0406 0.0211 26 TYR M CE1 +19244 C CE2 . TYR L 26 ? 0.7660 0.6840 0.6773 0.0001 -0.0415 0.0190 26 TYR M CE2 +19245 C CZ . TYR L 26 ? 0.7846 0.6998 0.6936 0.0022 -0.0423 0.0196 26 TYR M CZ +19246 O OH . TYR L 26 ? 0.7502 0.6669 0.6599 0.0046 -0.0447 0.0185 26 TYR M OH +19247 N N . VAL L 27 ? 0.6806 0.5898 0.5811 -0.0036 -0.0362 0.0228 27 VAL M N +19248 C CA . VAL L 27 ? 0.6540 0.5635 0.5527 -0.0023 -0.0382 0.0221 27 VAL M CA +19249 C C . VAL L 27 ? 0.7080 0.6126 0.6004 -0.0012 -0.0380 0.0233 27 VAL M C +19250 O O . VAL L 27 ? 0.7046 0.6076 0.5939 0.0009 -0.0400 0.0231 27 VAL M O +19251 C CB . VAL L 27 ? 0.6269 0.5399 0.5286 -0.0038 -0.0381 0.0210 27 VAL M CB +19252 C CG1 . VAL L 27 ? 0.7173 0.6299 0.6162 -0.0027 -0.0399 0.0204 27 VAL M CG1 +19253 C CG2 . VAL L 27 ? 0.6474 0.5650 0.5547 -0.0045 -0.0388 0.0196 27 VAL M CG2 +19254 N N . GLN L 28 ? 0.6898 0.5920 0.5801 -0.0025 -0.0355 0.0247 28 GLN M N +19255 C CA . GLN L 28 ? 0.6927 0.5900 0.5768 -0.0016 -0.0350 0.0260 28 GLN M CA +19256 C C . GLN L 28 ? 0.7228 0.6160 0.6036 0.0000 -0.0354 0.0269 28 GLN M C +19257 O O . GLN L 28 ? 0.7367 0.6255 0.6118 0.0012 -0.0353 0.0280 28 GLN M O +19258 C CB . GLN L 28 ? 0.6265 0.5226 0.5095 -0.0035 -0.0321 0.0270 28 GLN M CB +19259 C CG . GLN L 28 ? 0.7036 0.5993 0.5885 -0.0051 -0.0299 0.0279 28 GLN M CG +19260 C CD . GLN L 28 ? 0.7225 0.6131 0.6028 -0.0045 -0.0289 0.0294 28 GLN M CD +19261 O OE1 . GLN L 28 ? 0.7723 0.6592 0.6475 -0.0039 -0.0283 0.0304 28 GLN M OE1 +19262 N NE2 . GLN L 28 ? 0.7187 0.6086 0.6004 -0.0047 -0.0287 0.0297 28 GLN M NE2 +19263 N N . THR L 29 ? 0.6440 0.5384 0.5278 0.0001 -0.0356 0.0267 29 THR M N +19264 C CA . THR L 29 ? 0.7216 0.6121 0.6022 0.0020 -0.0364 0.0274 29 THR M CA +19265 C C . THR L 29 ? 0.7113 0.6023 0.5908 0.0047 -0.0396 0.0264 29 THR M C +19266 O O . THR L 29 ? 0.7743 0.6611 0.6486 0.0067 -0.0406 0.0271 29 THR M O +19267 C CB . THR L 29 ? 0.7024 0.5937 0.5864 0.0012 -0.0356 0.0274 29 THR M CB +19268 O OG1 . THR L 29 ? 0.7037 0.5949 0.5889 -0.0014 -0.0328 0.0282 29 THR M OG1 +19269 C CG2 . THR L 29 ? 0.6552 0.5417 0.5352 0.0032 -0.0362 0.0283 29 THR M CG2 +19270 N N . GLU L 30 ? 0.7608 0.6572 0.6454 0.0047 -0.0413 0.0247 30 GLU M N +19271 C CA . GLU L 30 ? 0.6986 0.5964 0.5831 0.0071 -0.0444 0.0234 30 GLU M CA +19272 C C . GLU L 30 ? 0.8207 0.7161 0.7001 0.0082 -0.0454 0.0236 30 GLU M C +19273 O O . GLU L 30 ? 0.9137 0.8074 0.7900 0.0108 -0.0478 0.0234 30 GLU M O +19274 C CB . GLU L 30 ? 0.7399 0.6441 0.6310 0.0064 -0.0455 0.0215 30 GLU M CB +19275 C CG . GLU L 30 ? 0.7756 0.6823 0.6714 0.0059 -0.0450 0.0211 30 GLU M CG +19276 C CD . GLU L 30 ? 0.8290 0.7341 0.7234 0.0086 -0.0467 0.0211 30 GLU M CD +19277 O OE1 . GLU L 30 ? 1.1707 1.0793 1.0679 0.0101 -0.0490 0.0196 30 GLU M OE1 +19278 O OE2 . GLU L 30 ? 1.0755 0.9759 0.9663 0.0091 -0.0456 0.0225 30 GLU M OE2 +19279 N N . SER L 31 ? 0.7482 0.6434 0.6268 0.0064 -0.0438 0.0240 31 SER M N +19280 C CA . SER L 31 ? 0.8523 0.7454 0.7263 0.0074 -0.0448 0.0240 31 SER M CA +19281 C C . SER L 31 ? 0.7512 0.6378 0.6178 0.0087 -0.0440 0.0258 31 SER M C +19282 O O . SER L 31 ? 0.9962 0.8803 0.8579 0.0099 -0.0449 0.0259 31 SER M O +19283 C CB . SER L 31 ? 0.7466 0.6418 0.6221 0.0052 -0.0433 0.0237 31 SER M CB +19284 O OG . SER L 31 ? 0.8151 0.7076 0.6886 0.0036 -0.0402 0.0252 31 SER M OG +19285 N N . GLN L 32 ? 0.8449 0.7284 0.7102 0.0085 -0.0423 0.0272 32 GLN M N +19286 C CA . GLN L 32 ? 1.1114 0.9882 0.9695 0.0097 -0.0416 0.0289 32 GLN M CA +19287 C C . GLN L 32 ? 1.0518 0.9264 0.9069 0.0130 -0.0445 0.0287 32 GLN M C +19288 O O . GLN L 32 ? 1.0669 0.9453 0.9263 0.0140 -0.0466 0.0273 32 GLN M O +19289 C CB . GLN L 32 ? 0.8633 0.7375 0.7212 0.0080 -0.0386 0.0304 32 GLN M CB +19290 C CG . GLN L 32 ? 0.8972 0.7728 0.7572 0.0050 -0.0355 0.0309 32 GLN M CG +19291 C CD . GLN L 32 ? 0.9386 0.8125 0.7995 0.0033 -0.0330 0.0320 32 GLN M CD +19292 O OE1 . GLN L 32 ? 1.0756 0.9446 0.9324 0.0043 -0.0328 0.0331 32 GLN M OE1 +19293 N NE2 . GLN L 32 ? 0.8637 0.7412 0.7296 0.0008 -0.0312 0.0317 32 GLN M NE2 +19294 N N . GLN L 33 ? 1.3998 1.2683 1.2475 0.0147 -0.0446 0.0300 33 GLN M N +19295 C CA . GLN L 33 ? 1.7442 1.6096 1.5881 0.0180 -0.0472 0.0300 33 GLN M CA +19296 C C . GLN L 33 ? 1.8086 1.6686 1.6491 0.0184 -0.0457 0.0317 33 GLN M C +19297 O O . GLN L 33 ? 1.9942 1.8552 1.8374 0.0192 -0.0465 0.0313 33 GLN M O +19298 C CB . GLN L 33 ? 1.6027 1.4647 1.4400 0.0202 -0.0490 0.0302 33 GLN M CB +19299 C CG . GLN L 33 ? 1.8839 1.7512 1.7244 0.0204 -0.0514 0.0282 33 GLN M CG +19300 C CD . GLN L 33 ? 2.0871 1.9517 1.9222 0.0205 -0.0511 0.0286 33 GLN M CD +19301 O OE1 . GLN L 33 ? 2.0256 1.8839 1.8530 0.0220 -0.0509 0.0299 33 GLN M OE1 +19302 N NE2 . GLN L 33 ? 1.7996 1.6687 1.6384 0.0188 -0.0510 0.0273 33 GLN M NE2 +19303 N N . THR M 2 ? 1.6842 1.6706 1.6386 -0.0425 0.1280 -0.0253 4 THR O N +19304 C CA . THR M 2 ? 1.6823 1.6659 1.6325 -0.0379 0.1267 -0.0258 4 THR O CA +19305 C C . THR M 2 ? 1.6629 1.6487 1.6169 -0.0347 0.1203 -0.0260 4 THR O C +19306 O O . THR M 2 ? 1.6144 1.6034 1.5712 -0.0309 0.1194 -0.0274 4 THR O O +19307 C CB . THR M 2 ? 1.5523 1.5420 1.5069 -0.0364 0.1317 -0.0280 4 THR O CB +19308 O OG1 . THR M 2 ? 1.6736 1.6622 1.6262 -0.0316 0.1295 -0.0289 4 THR O OG1 +19309 C CG2 . THR M 2 ? 1.5537 1.5555 1.5214 -0.0377 0.1329 -0.0300 4 THR O CG2 +19310 N N . LEU M 3 ? 1.4841 1.4676 1.4377 -0.0361 0.1160 -0.0245 5 LEU O N +19311 C CA . LEU M 3 ? 1.2411 1.2263 1.1981 -0.0335 0.1100 -0.0245 5 LEU O CA +19312 C C . LEU M 3 ? 1.2552 1.2314 1.2027 -0.0308 0.1066 -0.0232 5 LEU O C +19313 O O . LEU M 3 ? 1.2986 1.2663 1.2367 -0.0319 0.1073 -0.0216 5 LEU O O +19314 C CB . LEU M 3 ? 1.3176 1.3047 1.2787 -0.0364 0.1070 -0.0235 5 LEU O CB +19315 C CG . LEU M 3 ? 1.2762 1.2726 1.2475 -0.0393 0.1093 -0.0247 5 LEU O CG +19316 C CD1 . LEU M 3 ? 1.1599 1.1580 1.1352 -0.0412 0.1052 -0.0239 5 LEU O CD1 +19317 C CD2 . LEU M 3 ? 1.3627 1.3686 1.3431 -0.0368 0.1103 -0.0272 5 LEU O CD2 +19318 N N . THR M 4 ? 1.0533 1.0313 1.0033 -0.0271 0.1028 -0.0239 6 THR O N +19319 C CA . THR M 4 ? 0.9482 0.9186 0.8904 -0.0243 0.0991 -0.0230 6 THR O CA +19320 C C . THR M 4 ? 1.0078 0.9769 0.9508 -0.0245 0.0934 -0.0217 6 THR O C +19321 O O . THR M 4 ? 0.7510 0.7256 0.7011 -0.0262 0.0920 -0.0217 6 THR O O +19322 C CB . THR M 4 ? 1.0250 0.9975 0.9687 -0.0201 0.0989 -0.0247 6 THR O CB +19323 O OG1 . THR M 4 ? 0.9650 0.9450 0.9180 -0.0185 0.0959 -0.0257 6 THR O OG1 +19324 C CG2 . THR M 4 ? 1.0971 1.0724 1.0416 -0.0199 0.1047 -0.0262 6 THR O CG2 +19325 N N . TYR M 5 ? 0.8452 0.8069 0.7809 -0.0226 0.0900 -0.0206 7 TYR O N +19326 C CA . TYR M 5 ? 0.8251 0.7849 0.7608 -0.0226 0.0846 -0.0194 7 TYR O CA +19327 C C . TYR M 5 ? 0.8216 0.7892 0.7668 -0.0211 0.0817 -0.0204 7 TYR O C +19328 O O . TYR M 5 ? 0.7823 0.7521 0.7314 -0.0226 0.0790 -0.0197 7 TYR O O +19329 C CB . TYR M 5 ? 0.8638 0.8155 0.7910 -0.0204 0.0816 -0.0185 7 TYR O CB +19330 C CG . TYR M 5 ? 0.8698 0.8192 0.7964 -0.0203 0.0761 -0.0172 7 TYR O CG +19331 C CD1 . TYR M 5 ? 0.7146 0.6605 0.6382 -0.0231 0.0750 -0.0154 7 TYR O CD1 +19332 C CD2 . TYR M 5 ? 0.9332 0.8835 0.8620 -0.0174 0.0722 -0.0176 7 TYR O CD2 +19333 C CE1 . TYR M 5 ? 0.6581 0.6020 0.5813 -0.0230 0.0702 -0.0143 7 TYR O CE1 +19334 C CE2 . TYR M 5 ? 0.7604 0.7085 0.6887 -0.0175 0.0674 -0.0164 7 TYR O CE2 +19335 C CZ . TYR M 5 ? 0.7733 0.7184 0.6988 -0.0203 0.0665 -0.0147 7 TYR O CZ +19336 O OH . TYR M 5 ? 0.7264 0.6694 0.6513 -0.0203 0.0620 -0.0136 7 TYR O OH +19337 N N . ASP M 6 ? 0.8399 0.8115 0.7888 -0.0180 0.0823 -0.0221 8 ASP O N +19338 C CA . ASP M 6 ? 0.7975 0.7763 0.7551 -0.0163 0.0796 -0.0232 8 ASP O CA +19339 C C . ASP M 6 ? 0.8185 0.8058 0.7851 -0.0187 0.0815 -0.0240 8 ASP O C +19340 O O . ASP M 6 ? 0.9063 0.8990 0.8798 -0.0182 0.0785 -0.0244 8 ASP O O +19341 C CB . ASP M 6 ? 0.9574 0.9379 0.9161 -0.0122 0.0800 -0.0249 8 ASP O CB +19342 C CG . ASP M 6 ? 0.9621 0.9351 0.9137 -0.0095 0.0765 -0.0242 8 ASP O CG +19343 O OD1 . ASP M 6 ? 0.9919 0.9648 0.9451 -0.0085 0.0720 -0.0236 8 ASP O OD1 +19344 O OD2 . ASP M 6 ? 0.9687 0.9359 0.9130 -0.0087 0.0784 -0.0241 8 ASP O OD2 +19345 N N . ASP M 7 ? 0.8912 0.8797 0.8579 -0.0214 0.0863 -0.0243 9 ASP O N +19346 C CA . ASP M 7 ? 0.8959 0.8918 0.8705 -0.0244 0.0880 -0.0249 9 ASP O CA +19347 C C . ASP M 7 ? 0.8505 0.8441 0.8244 -0.0274 0.0852 -0.0232 9 ASP O C +19348 O O . ASP M 7 ? 0.9460 0.9460 0.9275 -0.0288 0.0841 -0.0237 9 ASP O O +19349 C CB . ASP M 7 ? 1.1210 1.1179 1.0950 -0.0268 0.0941 -0.0255 9 ASP O CB +19350 C CG . ASP M 7 ? 1.1102 1.1106 1.0861 -0.0241 0.0974 -0.0274 9 ASP O CG +19351 O OD1 . ASP M 7 ? 0.9982 1.0057 0.9817 -0.0215 0.0962 -0.0290 9 ASP O OD1 +19352 O OD2 . ASP M 7 ? 1.0416 1.0372 1.0109 -0.0243 0.1011 -0.0272 9 ASP O OD2 +19353 N N . ILE M 8 ? 0.9483 0.9330 0.9132 -0.0281 0.0840 -0.0213 10 ILE O N +19354 C CA . ILE M 8 ? 0.7835 0.7651 0.7463 -0.0313 0.0824 -0.0195 10 ILE O CA +19355 C C . ILE M 8 ? 0.8825 0.8620 0.8448 -0.0300 0.0766 -0.0185 10 ILE O C +19356 O O . ILE M 8 ? 0.8117 0.7919 0.7760 -0.0321 0.0746 -0.0176 10 ILE O O +19357 C CB . ILE M 8 ? 0.9502 0.9233 0.9031 -0.0331 0.0850 -0.0181 10 ILE O CB +19358 C CG1 . ILE M 8 ? 0.9661 0.9418 0.9205 -0.0356 0.0909 -0.0189 10 ILE O CG1 +19359 C CG2 . ILE M 8 ? 0.8002 0.7676 0.7486 -0.0353 0.0823 -0.0160 10 ILE O CG2 +19360 C CD1 . ILE M 8 ? 1.0838 1.0516 1.0284 -0.0363 0.0942 -0.0180 10 ILE O CD1 +19361 N N . VAL M 9 ? 0.6924 0.6693 0.6520 -0.0264 0.0740 -0.0186 11 VAL O N +19362 C CA . VAL M 9 ? 0.7335 0.7061 0.6901 -0.0254 0.0689 -0.0173 11 VAL O CA +19363 C C . VAL M 9 ? 0.7063 0.6848 0.6706 -0.0256 0.0657 -0.0175 11 VAL O C +19364 O O . VAL M 9 ? 0.8265 0.8121 0.7982 -0.0242 0.0657 -0.0190 11 VAL O O +19365 C CB . VAL M 9 ? 0.7892 0.7579 0.7414 -0.0217 0.0671 -0.0175 11 VAL O CB +19366 C CG1 . VAL M 9 ? 0.8057 0.7807 0.7644 -0.0187 0.0671 -0.0194 11 VAL O CG1 +19367 C CG2 . VAL M 9 ? 0.7183 0.6821 0.6669 -0.0210 0.0621 -0.0160 11 VAL O CG2 +19368 N N . GLY M 10 ? 0.7821 0.7577 0.7446 -0.0273 0.0629 -0.0160 12 GLY O N +19369 C CA . GLY M 10 ? 0.6891 0.6693 0.6578 -0.0278 0.0598 -0.0160 12 GLY O CA +19370 C C . GLY M 10 ? 0.8000 0.7858 0.7747 -0.0309 0.0618 -0.0165 12 GLY O C +19371 O O . GLY M 10 ? 0.7440 0.7333 0.7235 -0.0316 0.0591 -0.0164 12 GLY O O +19372 N N . THR M 11 ? 0.7629 0.7494 0.7372 -0.0331 0.0664 -0.0169 13 THR O N +19373 C CA . THR M 11 ? 0.7800 0.7724 0.7608 -0.0361 0.0685 -0.0177 13 THR O CA +19374 C C . THR M 11 ? 0.7306 0.7190 0.7081 -0.0397 0.0684 -0.0161 13 THR O C +19375 O O . THR M 11 ? 0.8709 0.8639 0.8540 -0.0421 0.0686 -0.0166 13 THR O O +19376 C CB . THR M 11 ? 0.8052 0.8009 0.7879 -0.0371 0.0739 -0.0191 13 THR O CB +19377 O OG1 . THR M 11 ? 0.7409 0.7294 0.7152 -0.0386 0.0769 -0.0179 13 THR O OG1 +19378 C CG2 . THR M 11 ? 0.8132 0.8129 0.7990 -0.0334 0.0743 -0.0207 13 THR O CG2 +19379 N N . GLY M 12 ? 0.8678 0.8476 0.8362 -0.0401 0.0682 -0.0144 14 GLY O N +19380 C CA . GLY M 12 ? 0.6517 0.6268 0.6159 -0.0434 0.0691 -0.0130 14 GLY O CA +19381 C C . GLY M 12 ? 0.8153 0.7871 0.7749 -0.0455 0.0741 -0.0128 14 GLY O C +19382 O O . GLY M 12 ? 0.8183 0.7840 0.7717 -0.0477 0.0748 -0.0113 14 GLY O O +19383 N N . LEU M 13 ? 0.7488 0.7243 0.7108 -0.0448 0.0777 -0.0143 15 LEU O N +19384 C CA . LEU M 13 ? 0.8184 0.7909 0.7761 -0.0469 0.0828 -0.0142 15 LEU O CA +19385 C C . LEU M 13 ? 0.6748 0.6374 0.6213 -0.0462 0.0829 -0.0125 15 LEU O C +19386 O O . LEU M 13 ? 0.7857 0.7436 0.7268 -0.0486 0.0863 -0.0117 15 LEU O O +19387 C CB . LEU M 13 ? 0.9217 0.9002 0.8842 -0.0459 0.0865 -0.0161 15 LEU O CB +19388 C CG . LEU M 13 ? 1.0348 1.0231 1.0080 -0.0476 0.0877 -0.0179 15 LEU O CG +19389 C CD1 . LEU M 13 ? 1.1527 1.1474 1.1311 -0.0455 0.0904 -0.0199 15 LEU O CD1 +19390 C CD2 . LEU M 13 ? 1.0550 1.0426 1.0279 -0.0521 0.0913 -0.0175 15 LEU O CD2 +19391 N N . ALA M 14 ? 0.7447 0.7037 0.6875 -0.0431 0.0792 -0.0119 16 ALA O N +19392 C CA . ALA M 14 ? 0.6367 0.5866 0.5691 -0.0423 0.0789 -0.0105 16 ALA O CA +19393 C C . ALA M 14 ? 0.7542 0.6981 0.6812 -0.0447 0.0777 -0.0086 16 ALA O C +19394 O O . ALA M 14 ? 0.7877 0.7240 0.7059 -0.0447 0.0784 -0.0073 16 ALA O O +19395 C CB . ALA M 14 ? 0.6884 0.6364 0.6188 -0.0386 0.0749 -0.0104 16 ALA O CB +19396 N N . ASN M 15 ? 0.7795 0.7265 0.7115 -0.0465 0.0759 -0.0083 17 ASN O N +19397 C CA . ASN M 15 ? 0.8268 0.7683 0.7540 -0.0488 0.0750 -0.0066 17 ASN O CA +19398 C C . ASN M 15 ? 0.9302 0.8723 0.8582 -0.0526 0.0793 -0.0066 17 ASN O C +19399 O O . ASN M 15 ? 0.8114 0.7495 0.7362 -0.0548 0.0789 -0.0053 17 ASN O O +19400 C CB . ASN M 15 ? 0.6907 0.6343 0.6218 -0.0484 0.0701 -0.0061 17 ASN O CB +19401 C CG . ASN M 15 ? 0.7221 0.6588 0.6468 -0.0497 0.0683 -0.0042 17 ASN O CG +19402 O OD1 . ASN M 15 ? 0.7111 0.6405 0.6273 -0.0489 0.0681 -0.0030 17 ASN O OD1 +19403 N ND2 . ASN M 15 ? 0.7128 0.6517 0.6415 -0.0516 0.0668 -0.0040 17 ASN O ND2 +19404 N N . LYS M 16 ? 0.8606 0.8074 0.7927 -0.0534 0.0835 -0.0081 18 LYS O N +19405 C CA . LYS M 16 ? 0.8789 0.8265 0.8120 -0.0573 0.0880 -0.0082 18 LYS O CA +19406 C C . LYS M 16 ? 0.8312 0.7726 0.7561 -0.0578 0.0924 -0.0077 18 LYS O C +19407 O O . LYS M 16 ? 0.8639 0.8044 0.7862 -0.0553 0.0933 -0.0082 18 LYS O O +19408 C CB . LYS M 16 ? 0.7261 0.6838 0.6699 -0.0583 0.0900 -0.0103 18 LYS O CB +19409 C CG . LYS M 16 ? 0.8757 0.8402 0.8281 -0.0576 0.0858 -0.0111 18 LYS O CG +19410 C CD . LYS M 16 ? 1.0162 0.9777 0.9673 -0.0598 0.0833 -0.0098 18 LYS O CD +19411 C CE . LYS M 16 ? 1.1300 1.0976 1.0888 -0.0588 0.0789 -0.0105 18 LYS O CE +19412 N NZ . LYS M 16 ? 1.3797 1.3441 1.3369 -0.0608 0.0765 -0.0092 18 LYS O NZ +19413 N N . CYS M 17 ? 0.9816 0.9185 0.9023 -0.0611 0.0951 -0.0066 19 CYS O N +19414 C CA . CYS M 17 ? 0.7793 0.7109 0.6928 -0.0621 0.1000 -0.0062 19 CYS O CA +19415 C C . CYS M 17 ? 0.9226 0.8610 0.8427 -0.0640 0.1051 -0.0080 19 CYS O C +19416 O O . CYS M 17 ? 0.8554 0.8016 0.7849 -0.0657 0.1051 -0.0092 19 CYS O O +19417 C CB . CYS M 17 ? 0.7655 0.6888 0.6712 -0.0648 0.1011 -0.0044 19 CYS O CB +19418 S SG . CYS M 17 ? 0.8516 0.7663 0.7487 -0.0626 0.0956 -0.0023 19 CYS O SG +19419 N N . PRO M 18 ? 1.0076 0.9435 0.9230 -0.0636 0.1093 -0.0083 20 PRO O N +19420 C CA . PRO M 18 ? 0.9630 0.9050 0.8842 -0.0658 0.1148 -0.0099 20 PRO O CA +19421 C C . PRO M 18 ? 0.9078 0.8490 0.8296 -0.0705 0.1180 -0.0094 20 PRO O C +19422 O O . PRO M 18 ? 1.0163 0.9495 0.9304 -0.0722 0.1177 -0.0076 20 PRO O O +19423 C CB . PRO M 18 ? 0.8349 0.7720 0.7485 -0.0642 0.1184 -0.0098 20 PRO O CB +19424 C CG . PRO M 18 ? 1.0195 0.9501 0.9257 -0.0605 0.1140 -0.0087 20 PRO O CG +19425 C CD . PRO M 18 ? 0.8639 0.7914 0.7687 -0.0612 0.1094 -0.0072 20 PRO O CD +19426 N N . THR M 19 ? 0.9454 0.8954 0.8767 -0.0728 0.1209 -0.0112 21 THR O N +19427 C CA . THR M 19 ? 1.1509 1.1010 1.0836 -0.0777 0.1247 -0.0111 21 THR O CA +19428 C C . THR M 19 ? 1.2218 1.1729 1.1539 -0.0794 0.1315 -0.0120 21 THR O C +19429 O O . THR M 19 ? 1.0713 1.0267 1.0060 -0.0769 0.1329 -0.0134 21 THR O O +19430 C CB . THR M 19 ? 1.2773 1.2368 1.2218 -0.0796 0.1230 -0.0126 21 THR O CB +19431 O OG1 . THR M 19 ? 1.2799 1.2496 1.2340 -0.0779 0.1237 -0.0149 21 THR O OG1 +19432 C CG2 . THR M 19 ? 1.0156 0.9739 0.9605 -0.0779 0.1164 -0.0117 21 THR O CG2 +19433 N N . LEU M 20 ? 1.2513 1.1982 1.1798 -0.0836 0.1356 -0.0112 22 LEU O N +19434 C CA . LEU M 20 ? 1.1496 1.0982 1.0786 -0.0860 0.1425 -0.0121 22 LEU O CA +19435 C C . LEU M 20 ? 1.0816 1.0408 1.0229 -0.0895 0.1447 -0.0142 22 LEU O C +19436 O O . LEU M 20 ? 1.1740 1.1363 1.1208 -0.0911 0.1416 -0.0143 22 LEU O O +19437 C CB . LEU M 20 ? 0.9932 0.9307 0.9106 -0.0888 0.1462 -0.0101 22 LEU O CB +19438 C CG . LEU M 20 ? 0.9776 0.9047 0.8824 -0.0854 0.1448 -0.0083 22 LEU O CG +19439 C CD1 . LEU M 20 ? 0.9816 0.8977 0.8749 -0.0881 0.1486 -0.0063 22 LEU O CD1 +19440 C CD2 . LEU M 20 ? 0.9950 0.9250 0.9001 -0.0819 0.1462 -0.0095 22 LEU O CD2 +19441 N N . ASP M 21 ? 1.3372 1.3019 1.2828 -0.0904 0.1500 -0.0158 23 ASP O N +19442 C CA . ASP M 21 ? 1.4119 1.3868 1.3691 -0.0939 0.1526 -0.0179 23 ASP O CA +19443 C C . ASP M 21 ? 1.3282 1.2989 1.2833 -0.0993 0.1548 -0.0169 23 ASP O C +19444 O O . ASP M 21 ? 1.4495 1.4094 1.3936 -0.1007 0.1565 -0.0148 23 ASP O O +19445 C CB . ASP M 21 ? 1.3997 1.3803 1.3606 -0.0942 0.1586 -0.0196 23 ASP O CB +19446 C CG . ASP M 21 ? 1.7835 1.7763 1.7579 -0.0972 0.1610 -0.0222 23 ASP O CG +19447 O OD1 . ASP M 21 ? 1.6311 1.6290 1.6128 -0.0983 0.1572 -0.0228 23 ASP O OD1 +19448 O OD2 . ASP M 21 ? 1.9630 1.9603 1.9405 -0.0984 0.1667 -0.0236 23 ASP O OD2 +19449 N N . ASP M 22 ? 1.4551 1.4343 1.4209 -0.1023 0.1544 -0.0184 24 ASP O N +19450 C CA . ASP M 22 ? 1.3342 1.3101 1.2989 -0.1077 0.1566 -0.0177 24 ASP O CA +19451 C C . ASP M 22 ? 1.6888 1.6612 1.6493 -0.1115 0.1642 -0.0176 24 ASP O C +19452 O O . ASP M 22 ? 1.4589 1.4254 1.4151 -0.1159 0.1664 -0.0164 24 ASP O O +19453 C CB . ASP M 22 ? 1.5175 1.5041 1.4952 -0.1100 0.1547 -0.0198 24 ASP O CB +19454 C CG . ASP M 22 ? 1.7243 1.7087 1.7019 -0.1092 0.1481 -0.0188 24 ASP O CG +19455 O OD1 . ASP M 22 ? 1.5926 1.5665 1.5605 -0.1103 0.1472 -0.0165 24 ASP O OD1 +19456 O OD2 . ASP M 22 ? 1.9145 1.9075 1.9013 -0.1073 0.1439 -0.0203 24 ASP O OD2 +19457 N N . THR M 23 ? 1.5894 1.5650 1.5506 -0.1101 0.1682 -0.0186 25 THR O N +19458 C CA . THR M 23 ? 1.3633 1.3351 1.3197 -0.1134 0.1757 -0.0184 25 THR O CA +19459 C C . THR M 23 ? 1.5132 1.4704 1.4537 -0.1126 0.1767 -0.0155 25 THR O C +19460 O O . THR M 23 ? 1.7700 1.7208 1.7042 -0.1164 0.1819 -0.0145 25 THR O O +19461 C CB . THR M 23 ? 1.5073 1.4875 1.4698 -0.1118 0.1796 -0.0205 25 THR O CB +19462 O OG1 . THR M 23 ? 1.6179 1.5948 1.5745 -0.1062 0.1773 -0.0199 25 THR O OG1 +19463 C CG2 . THR M 23 ? 1.4958 1.4907 1.4740 -0.1119 0.1781 -0.0234 25 THR O CG2 +19464 N N . ALA M 24 ? 1.4493 1.4011 1.3832 -0.1078 0.1717 -0.0142 26 ALA O N +19465 C CA . ALA M 24 ? 1.3916 1.3301 1.3106 -0.1064 0.1722 -0.0117 26 ALA O CA +19466 C C . ALA M 24 ? 1.3850 1.3138 1.2962 -0.1101 0.1727 -0.0096 26 ALA O C +19467 O O . ALA M 24 ? 1.2936 1.2162 1.1994 -0.1085 0.1676 -0.0079 26 ALA O O +19468 C CB . ALA M 24 ? 1.1399 1.0755 1.0548 -0.1007 0.1659 -0.0109 26 ALA O CB +19469 N N . ARG M 25 ? 1.4428 1.3704 1.3534 -0.1151 0.1789 -0.0096 27 ARG O N +19470 C CA . ARG M 25 ? 1.4004 1.3177 1.3025 -0.1188 0.1803 -0.0076 27 ARG O CA +19471 C C . ARG M 25 ? 1.4498 1.3558 1.3385 -0.1193 0.1853 -0.0058 27 ARG O C +19472 O O . ARG M 25 ? 1.5811 1.4795 1.4634 -0.1234 0.1888 -0.0044 27 ARG O O +19473 C CB . ARG M 25 ? 1.4120 1.3352 1.3229 -0.1246 0.1833 -0.0089 27 ARG O CB +19474 C CG . ARG M 25 ? 1.5833 1.5184 1.5081 -0.1245 0.1789 -0.0109 27 ARG O CG +19475 C CD . ARG M 25 ? 1.7145 1.6458 1.6370 -0.1221 0.1715 -0.0096 27 ARG O CD +19476 N NE . ARG M 25 ? 1.7460 1.6884 1.6815 -0.1223 0.1675 -0.0116 27 ARG O NE +19477 C CZ . ARG M 25 ? 1.8013 1.7444 1.7384 -0.1192 0.1607 -0.0112 27 ARG O CZ +19478 N NH1 . ARG M 25 ? 1.5131 1.4471 1.4402 -0.1157 0.1569 -0.0091 27 ARG O NH1 +19479 N NH2 . ARG M 25 ? 1.8802 1.8335 1.8291 -0.1197 0.1576 -0.0131 27 ARG O NH2 +19480 N N . GLY M 26 ? 1.4587 1.3632 1.3426 -0.1153 0.1858 -0.0057 28 GLY O N +19481 C CA . GLY M 26 ? 1.0862 0.9815 0.9585 -0.1157 0.1912 -0.0044 28 GLY O CA +19482 C C . GLY M 26 ? 1.2629 1.1435 1.1201 -0.1148 0.1894 -0.0015 28 GLY O C +19483 O O . GLY M 26 ? 1.0766 0.9530 0.9319 -0.1157 0.1856 -0.0002 28 GLY O O +19484 N N . ALA M 27 ? 1.2277 1.1003 1.0738 -0.1128 0.1922 -0.0004 29 ALA O N +19485 C CA . ALA M 27 ? 1.1354 0.9936 0.9662 -0.1118 0.1912 0.0024 29 ALA O CA +19486 C C . ALA M 27 ? 1.1861 1.0400 1.0088 -0.1070 0.1907 0.0028 29 ALA O C +19487 O O . ALA M 27 ? 1.1553 1.0131 0.9797 -0.1065 0.1950 0.0015 29 ALA O O +19488 C CB . ALA M 27 ? 1.3168 1.1667 1.1399 -0.1167 0.1975 0.0037 29 ALA O CB +19489 N N . TYR M 28 ? 1.3008 1.1468 1.1147 -0.1034 0.1852 0.0045 30 TYR O N +19490 C CA . TYR M 28 ? 1.2817 1.1231 1.0876 -0.0986 0.1839 0.0049 30 TYR O CA +19491 C C . TYR M 28 ? 1.2491 1.0759 1.0386 -0.0987 0.1859 0.0073 30 TYR O C +19492 O O . TYR M 28 ? 1.2211 1.0401 1.0038 -0.0983 0.1821 0.0092 30 TYR O O +19493 C CB . TYR M 28 ? 1.1900 1.0340 0.9985 -0.0940 0.1760 0.0047 30 TYR O CB +19494 C CG . TYR M 28 ? 1.1684 1.0089 0.9699 -0.0891 0.1745 0.0047 30 TYR O CG +19495 C CD1 . TYR M 28 ? 0.9703 0.8185 0.7778 -0.0873 0.1764 0.0027 30 TYR O CD1 +19496 C CD2 . TYR M 28 ? 0.9513 0.7805 0.7399 -0.0864 0.1713 0.0067 30 TYR O CD2 +19497 C CE1 . TYR M 28 ? 1.0218 0.8666 0.8227 -0.0830 0.1751 0.0026 30 TYR O CE1 +19498 C CE2 . TYR M 28 ? 1.0310 0.8570 0.8131 -0.0821 0.1699 0.0067 30 TYR O CE2 +19499 C CZ . TYR M 28 ? 1.1629 0.9965 0.9511 -0.0805 0.1718 0.0046 30 TYR O CZ +19500 O OH . TYR M 28 ? 1.1384 0.9686 0.9201 -0.0762 0.1704 0.0044 30 TYR O OH +19501 N N . PRO M 29 ? 1.3954 1.2179 1.1778 -0.0989 0.1917 0.0074 31 PRO O N +19502 C CA . PRO M 29 ? 1.1553 0.9637 0.9220 -0.0996 0.1945 0.0098 31 PRO O CA +19503 C C . PRO M 29 ? 1.2379 1.0378 0.9936 -0.0945 0.1892 0.0112 31 PRO O C +19504 O O . PRO M 29 ? 1.2305 1.0337 0.9873 -0.0905 0.1869 0.0102 31 PRO O O +19505 C CB . PRO M 29 ? 1.3425 1.1510 1.1070 -0.1014 0.2024 0.0091 31 PRO O CB +19506 C CG . PRO M 29 ? 1.2542 1.0741 1.0289 -0.0986 0.2016 0.0066 31 PRO O CG +19507 C CD . PRO M 29 ? 1.4714 1.3017 1.2596 -0.0984 0.1960 0.0053 31 PRO O CD +19508 N N . ILE M 30 ? 1.2611 1.0500 1.0063 -0.0947 0.1873 0.0135 32 ILE O N +19509 C CA . ILE M 30 ? 1.2701 1.0497 1.0036 -0.0903 0.1825 0.0151 32 ILE O CA +19510 C C . ILE M 30 ? 1.4870 1.2549 1.2057 -0.0904 0.1874 0.0165 32 ILE O C +19511 O O . ILE M 30 ? 1.6188 1.3801 1.3318 -0.0941 0.1919 0.0179 32 ILE O O +19512 C CB . ILE M 30 ? 1.2419 1.0170 0.9733 -0.0900 0.1767 0.0166 32 ILE O CB +19513 C CG1 . ILE M 30 ? 1.3195 1.1063 1.0656 -0.0898 0.1719 0.0151 32 ILE O CG1 +19514 C CG2 . ILE M 30 ? 1.1904 0.9556 0.9093 -0.0854 0.1720 0.0182 32 ILE O CG2 +19515 C CD1 . ILE M 30 ? 1.1420 0.9373 0.8950 -0.0859 0.1684 0.0133 32 ILE O CD1 +19516 N N . ASP M 31 ? 1.2932 1.0583 1.0054 -0.0864 0.1866 0.0163 33 ASP O N +19517 C CA . ASP M 31 ? 1.2179 0.9711 0.9148 -0.0856 0.1903 0.0178 33 ASP O CA +19518 C C . ASP M 31 ? 1.3734 1.1164 1.0588 -0.0819 0.1842 0.0197 33 ASP O C +19519 O O . ASP M 31 ? 1.3743 1.1187 1.0595 -0.0776 0.1789 0.0191 33 ASP O O +19520 C CB . ASP M 31 ? 1.3784 1.1348 1.0751 -0.0835 0.1934 0.0162 33 ASP O CB +19521 C CG . ASP M 31 ? 1.4368 1.1809 1.1173 -0.0825 0.1972 0.0176 33 ASP O CG +19522 O OD1 . ASP M 31 ? 1.3386 1.0717 1.0081 -0.0837 0.1980 0.0199 33 ASP O OD1 +19523 O OD2 . ASP M 31 ? 1.6113 1.3564 1.2897 -0.0803 0.1993 0.0165 33 ASP O OD2 +19524 N N . SER M 32 ? 1.5113 1.2438 1.1869 -0.0837 0.1851 0.0219 34 SER O N +19525 C CA . SER M 32 ? 1.4989 1.2219 1.1641 -0.0804 0.1792 0.0237 34 SER O CA +19526 C C . SER M 32 ? 1.4535 1.1699 1.1075 -0.0758 0.1777 0.0240 34 SER O C +19527 O O . SER M 32 ? 1.5513 1.2616 1.1981 -0.0724 0.1719 0.0251 34 SER O O +19528 C CB . SER M 32 ? 1.6430 1.3552 1.2987 -0.0832 0.1814 0.0261 34 SER O CB +19529 O OG . SER M 32 ? 1.8042 1.5125 1.4553 -0.0868 0.1896 0.0264 34 SER O OG +19530 N N . SER M 33 ? 1.3370 1.0545 0.9894 -0.0756 0.1825 0.0229 35 SER O N +19531 C CA . SER M 33 ? 1.4308 1.1431 1.0737 -0.0712 0.1809 0.0228 35 SER O CA +19532 C C . SER M 33 ? 1.6770 1.3990 1.3293 -0.0678 0.1760 0.0208 35 SER O C +19533 O O . SER M 33 ? 1.5325 1.2510 1.1780 -0.0638 0.1734 0.0205 35 SER O O +19534 C CB . SER M 33 ? 1.5694 1.2776 1.2053 -0.0725 0.1886 0.0227 35 SER O CB +19535 O OG . SER M 33 ? 1.2636 0.9832 0.9120 -0.0749 0.1931 0.0206 35 SER O OG +19536 N N . GLN M 34 ? 1.6650 1.3990 1.3326 -0.0693 0.1747 0.0193 36 GLN O N +19537 C CA . GLN M 34 ? 1.5784 1.3228 1.2564 -0.0667 0.1710 0.0171 36 GLN O CA +19538 C C . GLN M 34 ? 1.4020 1.1489 1.0846 -0.0646 0.1629 0.0173 36 GLN O C +19539 O O . GLN M 34 ? 1.3865 1.1326 1.0712 -0.0666 0.1613 0.0184 36 GLN O O +19540 C CB . GLN M 34 ? 1.4365 1.1930 1.1287 -0.0696 0.1753 0.0151 36 GLN O CB +19541 C CG . GLN M 34 ? 1.5494 1.3164 1.2521 -0.0670 0.1724 0.0128 36 GLN O CG +19542 C CD . GLN M 34 ? 1.6256 1.3895 1.3211 -0.0636 0.1736 0.0121 36 GLN O CD +19543 O OE1 . GLN M 34 ? 1.8132 1.5720 1.5013 -0.0647 0.1796 0.0123 36 GLN O OE1 +19544 N NE2 . GLN M 34 ? 1.3239 1.0905 1.0214 -0.0596 0.1679 0.0111 36 GLN O NE2 +19545 N N . THR M 35 ? 1.6040 1.3535 1.2877 -0.0605 0.1579 0.0163 37 THR O N +19546 C CA . THR M 35 ? 1.4114 1.1649 1.1011 -0.0585 0.1504 0.0162 37 THR O CA +19547 C C . THR M 35 ? 1.3324 1.0995 1.0383 -0.0593 0.1497 0.0141 37 THR O C +19548 O O . THR M 35 ? 1.2316 1.0044 0.9420 -0.0583 0.1518 0.0123 37 THR O O +19549 C CB . THR M 35 ? 1.3965 1.1452 1.0785 -0.0538 0.1450 0.0162 37 THR O CB +19550 O OG1 . THR M 35 ? 1.4416 1.1904 1.1207 -0.0520 0.1479 0.0149 37 THR O OG1 +19551 C CG2 . THR M 35 ? 1.3102 1.0462 0.9780 -0.0528 0.1434 0.0185 37 THR O CG2 +19552 N N . TYR M 36 ? 1.1505 0.9225 0.8648 -0.0608 0.1467 0.0143 38 TYR O N +19553 C CA . TYR M 36 ? 1.1140 0.8985 0.8436 -0.0619 0.1461 0.0125 38 TYR O CA +19554 C C . TYR M 36 ? 1.2391 1.0280 0.9744 -0.0592 0.1386 0.0121 38 TYR O C +19555 O O . TYR M 36 ? 1.0717 0.8544 0.8006 -0.0575 0.1339 0.0135 38 TYR O O +19556 C CB . TYR M 36 ? 0.9416 0.7298 0.6781 -0.0665 0.1495 0.0127 38 TYR O CB +19557 C CG . TYR M 36 ? 1.1824 0.9694 0.9167 -0.0698 0.1574 0.0126 38 TYR O CG +19558 C CD1 . TYR M 36 ? 1.0242 0.8003 0.7465 -0.0715 0.1611 0.0145 38 TYR O CD1 +19559 C CD2 . TYR M 36 ? 1.0634 0.8603 0.8081 -0.0711 0.1613 0.0105 38 TYR O CD2 +19560 C CE1 . TYR M 36 ? 1.2128 0.9877 0.9332 -0.0746 0.1686 0.0143 38 TYR O CE1 +19561 C CE2 . TYR M 36 ? 1.4231 1.2193 1.1664 -0.0742 0.1687 0.0103 38 TYR O CE2 +19562 C CZ . TYR M 36 ? 1.3251 1.1103 1.0562 -0.0761 0.1724 0.0122 38 TYR O CZ +19563 O OH . TYR M 36 ? 1.4187 1.2032 1.1484 -0.0793 0.1801 0.0120 38 TYR O OH +19564 N N A ARG M 37 ? 0.9986 0.7981 0.7459 -0.0587 0.1374 0.0102 39 ARG O N +19565 N N B ARG M 37 ? 0.9988 0.7984 0.7461 -0.0586 0.1375 0.0102 39 ARG O N +19566 C CA A ARG M 37 ? 1.0690 0.8733 0.8226 -0.0563 0.1306 0.0097 39 ARG O CA +19567 C CA B ARG M 37 ? 1.0699 0.8751 0.8245 -0.0565 0.1309 0.0096 39 ARG O CA +19568 C C A ARG M 37 ? 1.0000 0.8158 0.7684 -0.0582 0.1304 0.0084 39 ARG O C +19569 C C B ARG M 37 ? 0.9947 0.8101 0.7631 -0.0591 0.1310 0.0086 39 ARG O C +19570 O O A ARG M 37 ? 1.0726 0.8948 0.8476 -0.0597 0.1348 0.0069 39 ARG O O +19571 O O B ARG M 37 ? 0.9179 0.7383 0.6921 -0.0619 0.1361 0.0077 39 ARG O O +19572 C CB A ARG M 37 ? 1.0891 0.8935 0.8404 -0.0522 0.1277 0.0087 39 ARG O CB +19573 C CB B ARG M 37 ? 1.0086 0.8172 0.7648 -0.0528 0.1286 0.0080 39 ARG O CB +19574 C CG A ARG M 37 ? 1.1284 0.9342 0.8821 -0.0495 0.1203 0.0087 39 ARG O CG +19575 C CG B ARG M 37 ? 1.1696 0.9712 0.9169 -0.0491 0.1233 0.0088 39 ARG O CG +19576 C CD A ARG M 37 ? 1.2276 1.0323 0.9778 -0.0456 0.1175 0.0078 39 ARG O CD +19577 C CD B ARG M 37 ? 1.2134 1.0215 0.9676 -0.0461 0.1184 0.0072 39 ARG O CD +19578 N NE A ARG M 37 ? 1.0354 0.8407 0.7871 -0.0432 0.1106 0.0079 39 ARG O NE +19579 N NE B ARG M 37 ? 1.0341 0.8500 0.7961 -0.0460 0.1216 0.0052 39 ARG O NE +19580 C CZ A ARG M 37 ? 1.0955 0.8932 0.8387 -0.0418 0.1069 0.0094 39 ARG O CZ +19581 C CZ B ARG M 37 ? 1.0206 0.8443 0.7916 -0.0443 0.1186 0.0037 39 ARG O CZ +19582 N NH1 A ARG M 37 ? 1.0167 0.8052 0.7486 -0.0423 0.1092 0.0108 39 ARG O NH1 +19583 N NH1 B ARG M 37 ? 1.0633 0.8940 0.8413 -0.0443 0.1217 0.0019 39 ARG O NH1 +19584 N NH2 A ARG M 37 ? 1.0841 0.8837 0.8302 -0.0399 0.1007 0.0093 39 ARG O NH2 +19585 N NH2 B ARG M 37 ? 1.1602 0.9846 0.9331 -0.0425 0.1123 0.0040 39 ARG O NH2 +19586 N N . ILE M 38 ? 0.9953 0.8137 0.7687 -0.0581 0.1253 0.0088 40 ILE O N +19587 C CA . ILE M 38 ? 0.9486 0.7780 0.7359 -0.0591 0.1237 0.0075 40 ILE O CA +19588 C C . ILE M 38 ? 0.9041 0.7387 0.6960 -0.0555 0.1199 0.0060 40 ILE O C +19589 O O . ILE M 38 ? 0.9385 0.7698 0.7266 -0.0527 0.1148 0.0065 40 ILE O O +19590 C CB . ILE M 38 ? 0.9345 0.7640 0.7248 -0.0604 0.1199 0.0085 40 ILE O CB +19591 C CG1 . ILE M 38 ? 0.9528 0.7793 0.7414 -0.0646 0.1243 0.0095 40 ILE O CG1 +19592 C CG2 . ILE M 38 ? 0.9341 0.7742 0.7375 -0.0601 0.1165 0.0071 40 ILE O CG2 +19593 C CD1 . ILE M 38 ? 0.9237 0.7515 0.7167 -0.0663 0.1212 0.0103 40 ILE O CD1 +19594 N N . ALA M 39 ? 0.9945 0.8369 0.7941 -0.0555 0.1226 0.0041 41 ALA O N +19595 C CA . ALA M 39 ? 1.0214 0.8681 0.8246 -0.0520 0.1196 0.0027 41 ALA O CA +19596 C C . ALA M 39 ? 1.1379 0.9926 0.9518 -0.0514 0.1147 0.0020 41 ALA O C +19597 O O . ALA M 39 ? 0.9206 0.7766 0.7356 -0.0483 0.1104 0.0014 41 ALA O O +19598 C CB . ALA M 39 ? 0.9288 0.7800 0.7351 -0.0518 0.1245 0.0009 41 ALA O CB +19599 N N . ARG M 40 ? 0.8803 0.7403 0.7022 -0.0543 0.1154 0.0019 42 ARG O N +19600 C CA . ARG M 40 ? 0.8721 0.7395 0.7040 -0.0538 0.1110 0.0013 42 ARG O CA +19601 C C . ARG M 40 ? 0.9045 0.7728 0.7398 -0.0572 0.1111 0.0022 42 ARG O C +19602 O O . ARG M 40 ? 0.9271 0.7984 0.7660 -0.0604 0.1157 0.0018 42 ARG O O +19603 C CB . ARG M 40 ? 0.7932 0.6707 0.6357 -0.0531 0.1121 -0.0009 42 ARG O CB +19604 C CG . ARG M 40 ? 0.8406 0.7258 0.6934 -0.0527 0.1076 -0.0015 42 ARG O CG +19605 C CD . ARG M 40 ? 0.8128 0.7080 0.6763 -0.0524 0.1093 -0.0037 42 ARG O CD +19606 N NE . ARG M 40 ? 0.8447 0.7468 0.7174 -0.0519 0.1049 -0.0042 42 ARG O NE +19607 C CZ . ARG M 40 ? 0.8073 0.7187 0.6904 -0.0518 0.1054 -0.0060 42 ARG O CZ +19608 N NH1 . ARG M 40 ? 0.9332 0.8489 0.8196 -0.0522 0.1101 -0.0074 42 ARG O NH1 +19609 N NH2 . ARG M 40 ? 0.8577 0.7743 0.7481 -0.0511 0.1011 -0.0063 42 ARG O NH2 +19610 N N . LEU M 41 ? 0.8845 0.7501 0.7183 -0.0567 0.1062 0.0034 43 LEU O N +19611 C CA . LEU M 41 ? 0.8512 0.7184 0.6892 -0.0594 0.1052 0.0040 43 LEU O CA +19612 C C . LEU M 41 ? 0.9306 0.8056 0.7785 -0.0581 0.1004 0.0032 43 LEU O C +19613 O O . LEU M 41 ? 0.8186 0.6928 0.6652 -0.0551 0.0959 0.0033 43 LEU O O +19614 C CB . LEU M 41 ? 0.8005 0.6581 0.6288 -0.0597 0.1036 0.0062 43 LEU O CB +19615 C CG . LEU M 41 ? 0.8519 0.7101 0.6835 -0.0621 0.1021 0.0070 43 LEU O CG +19616 C CD1 . LEU M 41 ? 0.8021 0.6650 0.6401 -0.0662 0.1068 0.0062 43 LEU O CD1 +19617 C CD2 . LEU M 41 ? 0.8083 0.6562 0.6290 -0.0621 0.1009 0.0091 43 LEU O CD2 +19618 N N . CYS M 42 ? 0.8571 0.7395 0.7145 -0.0605 0.1015 0.0023 44 CYS O N +19619 C CA . CYS M 42 ? 0.7876 0.6779 0.6549 -0.0597 0.0976 0.0013 44 CYS O CA +19620 C C . CYS M 42 ? 0.9846 0.8758 0.8553 -0.0627 0.0968 0.0019 44 CYS O C +19621 O O . CYS M 42 ? 0.8327 0.7240 0.7042 -0.0660 0.1009 0.0019 44 CYS O O +19622 C CB . CYS M 42 ? 0.7755 0.6751 0.6522 -0.0596 0.0999 -0.0008 44 CYS O CB +19623 S SG . CYS M 42 ? 0.8038 0.7136 0.6928 -0.0581 0.0951 -0.0022 44 CYS O SG +19624 N N . LEU M 43 ? 0.8707 0.7622 0.7430 -0.0615 0.0916 0.0025 45 LEU O N +19625 C CA . LEU M 43 ? 0.8372 0.7298 0.7131 -0.0639 0.0903 0.0030 45 LEU O CA +19626 C C . LEU M 43 ? 0.8471 0.7482 0.7331 -0.0629 0.0866 0.0019 45 LEU O C +19627 O O . LEU M 43 ? 0.7927 0.6942 0.6788 -0.0598 0.0824 0.0019 45 LEU O O +19628 C CB . LEU M 43 ? 0.8744 0.7584 0.7418 -0.0636 0.0876 0.0050 45 LEU O CB +19629 C CG . LEU M 43 ? 0.9534 0.8281 0.8101 -0.0648 0.0911 0.0064 45 LEU O CG +19630 C CD1 . LEU M 43 ? 0.8719 0.7412 0.7205 -0.0617 0.0904 0.0069 45 LEU O CD1 +19631 C CD2 . LEU M 43 ? 0.8683 0.7369 0.7203 -0.0663 0.0896 0.0081 45 LEU O CD2 +19632 N N . GLN M 44 ? 0.7828 0.6906 0.6772 -0.0654 0.0882 0.0008 46 GLN O N +19633 C CA . GLN M 44 ? 0.7605 0.6765 0.6647 -0.0647 0.0849 -0.0004 46 GLN O CA +19634 C C . GLN M 44 ? 0.7724 0.6884 0.6787 -0.0670 0.0831 0.0002 46 GLN O C +19635 O O . GLN M 44 ? 0.8300 0.7476 0.7391 -0.0704 0.0862 -0.0002 46 GLN O O +19636 C CB . GLN M 44 ? 0.7004 0.6253 0.6134 -0.0654 0.0878 -0.0025 46 GLN O CB +19637 C CG . GLN M 44 ? 0.7527 0.6862 0.6759 -0.0650 0.0847 -0.0037 46 GLN O CG +19638 C CD . GLN M 44 ? 0.8960 0.8383 0.8282 -0.0663 0.0880 -0.0058 46 GLN O CD +19639 O OE1 . GLN M 44 ? 0.8353 0.7782 0.7667 -0.0664 0.0919 -0.0065 46 GLN O OE1 +19640 N NE2 . GLN M 44 ? 0.9199 0.8691 0.8608 -0.0675 0.0863 -0.0068 46 GLN O NE2 +19641 N N . PRO M 45 ? 0.9657 0.8799 0.8710 -0.0654 0.0783 0.0011 47 PRO O N +19642 C CA . PRO M 45 ? 0.8659 0.7800 0.7733 -0.0675 0.0765 0.0016 47 PRO O CA +19643 C C . PRO M 45 ? 0.8444 0.7680 0.7628 -0.0686 0.0759 -0.0001 47 PRO O C +19644 O O . PRO M 45 ? 0.8570 0.7869 0.7814 -0.0664 0.0742 -0.0013 47 PRO O O +19645 C CB . PRO M 45 ? 0.7715 0.6816 0.6748 -0.0648 0.0715 0.0029 47 PRO O CB +19646 C CG . PRO M 45 ? 0.7836 0.6950 0.6866 -0.0613 0.0699 0.0025 47 PRO O CG +19647 C CD . PRO M 45 ? 0.7116 0.6233 0.6133 -0.0616 0.0743 0.0017 47 PRO O CD +19648 N N . THR M 46 ? 0.7972 0.7217 0.7182 -0.0719 0.0772 -0.0002 48 THR O N +19649 C CA . THR M 46 ? 0.7531 0.6862 0.6843 -0.0731 0.0761 -0.0018 48 THR O CA +19650 C C . THR M 46 ? 0.7728 0.7052 0.7052 -0.0737 0.0723 -0.0012 48 THR O C +19651 O O . THR M 46 ? 0.8617 0.8009 0.8018 -0.0734 0.0700 -0.0023 48 THR O O +19652 C CB . THR M 46 ? 0.7922 0.7294 0.7281 -0.0768 0.0808 -0.0031 48 THR O CB +19653 O OG1 . THR M 46 ? 0.8635 0.7936 0.7933 -0.0800 0.0832 -0.0019 48 THR O OG1 +19654 C CG2 . THR M 46 ? 0.7701 0.7097 0.7067 -0.0761 0.0845 -0.0040 48 THR O CG2 +19655 N N . THR M 47 ? 0.7678 0.6922 0.6926 -0.0744 0.0718 0.0005 49 THR O N +19656 C CA . THR M 47 ? 0.9823 0.9059 0.9080 -0.0750 0.0684 0.0010 49 THR O CA +19657 C C . THR M 47 ? 0.8366 0.7515 0.7531 -0.0732 0.0661 0.0031 49 THR O C +19658 O O . THR M 47 ? 0.7934 0.7015 0.7021 -0.0733 0.0684 0.0042 49 THR O O +19659 C CB . THR M 47 ? 0.9615 0.8853 0.8894 -0.0793 0.0708 0.0006 49 THR O CB +19660 O OG1 . THR M 47 ? 1.0429 0.9574 0.9620 -0.0806 0.0717 0.0024 49 THR O OG1 +19661 C CG2 . THR M 47 ? 0.9139 0.8424 0.8464 -0.0820 0.0756 -0.0008 49 THR O CG2 +19662 N N . PHE M 48 ? 0.7404 0.6556 0.6579 -0.0715 0.0617 0.0035 50 PHE O N +19663 C CA . PHE M 48 ? 0.9021 0.8101 0.8120 -0.0696 0.0591 0.0053 50 PHE O CA +19664 C C . PHE M 48 ? 0.8357 0.7420 0.7458 -0.0711 0.0572 0.0058 50 PHE O C +19665 O O . PHE M 48 ? 0.8012 0.7131 0.7180 -0.0711 0.0549 0.0049 50 PHE O O +19666 C CB . PHE M 48 ? 0.8027 0.7124 0.7132 -0.0657 0.0552 0.0054 50 PHE O CB +19667 C CG . PHE M 48 ? 0.7445 0.6544 0.6532 -0.0639 0.0567 0.0051 50 PHE O CG +19668 C CD1 . PHE M 48 ? 0.8053 0.7224 0.7208 -0.0635 0.0577 0.0035 50 PHE O CD1 +19669 C CD2 . PHE M 48 ? 0.6746 0.5775 0.5747 -0.0624 0.0568 0.0063 50 PHE O CD2 +19670 C CE1 . PHE M 48 ? 0.7672 0.6841 0.6808 -0.0616 0.0590 0.0032 50 PHE O CE1 +19671 C CE2 . PHE M 48 ? 0.7507 0.6535 0.6489 -0.0606 0.0580 0.0060 50 PHE O CE2 +19672 C CZ . PHE M 48 ? 0.7467 0.6563 0.6515 -0.0602 0.0591 0.0044 50 PHE O CZ +19673 N N . LEU M 49 ? 0.7987 0.6970 0.7012 -0.0722 0.0582 0.0071 51 LEU O N +19674 C CA . LEU M 49 ? 0.8032 0.6990 0.7050 -0.0737 0.0568 0.0076 51 LEU O CA +19675 C C . LEU M 49 ? 0.8611 0.7500 0.7554 -0.0713 0.0539 0.0094 51 LEU O C +19676 O O . LEU M 49 ? 0.8425 0.7254 0.7294 -0.0701 0.0548 0.0105 51 LEU O O +19677 C CB . LEU M 49 ? 0.9221 0.8147 0.8220 -0.0777 0.0608 0.0076 51 LEU O CB +19678 C CG . LEU M 49 ? 0.8425 0.7417 0.7494 -0.0804 0.0643 0.0059 51 LEU O CG +19679 C CD1 . LEU M 49 ? 1.0990 0.9931 1.0017 -0.0840 0.0689 0.0063 51 LEU O CD1 +19680 C CD2 . LEU M 49 ? 0.8622 0.7691 0.7784 -0.0815 0.0624 0.0044 51 LEU O CD2 +19681 N N . VAL M 50 ? 0.7578 0.6476 0.6541 -0.0705 0.0504 0.0095 52 VAL O N +19682 C CA . VAL M 50 ? 0.9235 0.8079 0.8139 -0.0681 0.0473 0.0110 52 VAL O CA +19683 C C . VAL M 50 ? 0.8363 0.7160 0.7238 -0.0700 0.0473 0.0116 52 VAL O C +19684 O O . VAL M 50 ? 0.8705 0.7539 0.7634 -0.0721 0.0474 0.0107 52 VAL O O +19685 C CB . VAL M 50 ? 0.8853 0.7746 0.7802 -0.0651 0.0430 0.0106 52 VAL O CB +19686 C CG1 . VAL M 50 ? 0.7783 0.6624 0.6675 -0.0627 0.0399 0.0121 52 VAL O CG1 +19687 C CG2 . VAL M 50 ? 0.7562 0.6498 0.6538 -0.0634 0.0433 0.0099 52 VAL O CG2 +19688 N N . LYS M 51 ? 0.8909 0.7624 0.7698 -0.0691 0.0472 0.0131 53 LYS O N +19689 C CA . LYS M 51 ? 0.8987 0.7648 0.7739 -0.0706 0.0471 0.0139 53 LYS O CA +19690 C C . LYS M 51 ? 1.0133 0.8810 0.8907 -0.0687 0.0429 0.0140 53 LYS O C +19691 O O . LYS M 51 ? 1.0282 0.8960 0.9043 -0.0655 0.0399 0.0145 53 LYS O O +19692 C CB . LYS M 51 ? 0.8833 0.7398 0.7482 -0.0701 0.0485 0.0155 53 LYS O CB +19693 C CG . LYS M 51 ? 1.1578 1.0080 1.0184 -0.0721 0.0492 0.0162 53 LYS O CG +19694 C CD . LYS M 51 ? 1.2452 1.0856 1.0952 -0.0709 0.0498 0.0179 53 LYS O CD +19695 C CE . LYS M 51 ? 1.3100 1.1471 1.1557 -0.0724 0.0541 0.0181 53 LYS O CE +19696 N NZ . LYS M 51 ? 1.8010 1.6276 1.6356 -0.0716 0.0549 0.0198 53 LYS O NZ +19697 N N . GLU M 52 ? 1.1963 1.0654 1.0771 -0.0708 0.0426 0.0134 54 GLU O N +19698 C CA . GLU M 52 ? 1.1858 1.0556 1.0680 -0.0693 0.0389 0.0136 54 GLU O CA +19699 C C . GLU M 52 ? 1.4497 1.3107 1.3232 -0.0683 0.0382 0.0151 54 GLU O C +19700 O O . GLU M 52 ? 1.4273 1.2819 1.2952 -0.0702 0.0409 0.0158 54 GLU O O +19701 C CB . GLU M 52 ? 1.5340 1.4081 1.4225 -0.0720 0.0389 0.0123 54 GLU O CB +19702 C CG . GLU M 52 ? 1.8298 1.6990 1.7154 -0.0756 0.0420 0.0123 54 GLU O CG +19703 C CD . GLU M 52 ? 1.9194 1.7924 1.8109 -0.0781 0.0415 0.0110 54 GLU O CD +19704 O OE1 . GLU M 52 ? 1.5634 1.4441 1.4624 -0.0776 0.0396 0.0098 54 GLU O OE1 +19705 O OE2 . GLU M 52 ? 1.9334 1.8014 1.8217 -0.0806 0.0431 0.0112 54 GLU O OE2 +19706 N N . GLU M 53 ? 1.7482 1.6088 1.6206 -0.0652 0.0346 0.0158 55 GLU O N +19707 C CA . GLU M 53 ? 2.1414 1.9942 2.0060 -0.0638 0.0335 0.0172 55 GLU O CA +19708 C C . GLU M 53 ? 2.1989 2.0513 2.0650 -0.0645 0.0319 0.0170 55 GLU O C +19709 O O . GLU M 53 ? 2.0026 1.8597 1.8732 -0.0629 0.0289 0.0165 55 GLU O O +19710 C CB . GLU M 53 ? 2.0009 1.8531 1.8629 -0.0599 0.0307 0.0180 55 GLU O CB +19711 C CG . GLU M 53 ? 1.6590 1.5175 1.5257 -0.0586 0.0301 0.0173 55 GLU O CG +19712 C CD . GLU M 53 ? 2.0145 1.8805 1.8889 -0.0578 0.0274 0.0164 55 GLU O CD +19713 O OE1 . GLU M 53 ? 1.9898 1.8555 1.8638 -0.0557 0.0244 0.0168 55 GLU O OE1 +19714 O OE2 . GLU M 53 ? 2.0620 1.9342 1.9429 -0.0591 0.0283 0.0152 55 GLU O OE2 +19715 N N . PRO M 54 ? 2.0847 1.9314 1.9468 -0.0668 0.0338 0.0173 56 PRO O N +19716 C CA . PRO M 54 ? 2.0255 1.8719 1.8893 -0.0678 0.0325 0.0169 56 PRO O CA +19717 C C . PRO M 54 ? 1.9214 1.7646 1.7815 -0.0644 0.0292 0.0178 56 PRO O C +19718 O O . PRO M 54 ? 1.8799 1.7199 1.7351 -0.0616 0.0281 0.0189 56 PRO O O +19719 C CB . PRO M 54 ? 1.9715 1.8114 1.8308 -0.0711 0.0358 0.0171 56 PRO O CB +19720 C CG . PRO M 54 ? 2.0357 1.8751 1.8936 -0.0726 0.0392 0.0171 56 PRO O CG +19721 C CD . PRO M 54 ? 1.9583 1.7987 1.8146 -0.0690 0.0376 0.0178 56 PRO O CD +19722 N N . LYS M 55 ? 2.0651 1.9093 1.9276 -0.0648 0.0275 0.0173 57 LYS O N +19723 C CA . LYS M 55 ? 1.8536 1.6961 1.7139 -0.0617 0.0243 0.0180 57 LYS O CA +19724 C C . LYS M 55 ? 1.9373 1.7703 1.7888 -0.0611 0.0247 0.0193 57 LYS O C +19725 O O . LYS M 55 ? 1.9627 1.7926 1.8097 -0.0579 0.0229 0.0203 57 LYS O O +19726 C CB . LYS M 55 ? 1.5360 1.3833 1.4023 -0.0622 0.0223 0.0170 57 LYS O CB +19727 C CG . LYS M 55 ? 1.4113 1.2662 1.2836 -0.0599 0.0196 0.0165 57 LYS O CG +19728 C CD . LYS M 55 ? 1.3615 1.2227 1.2411 -0.0613 0.0186 0.0151 57 LYS O CD +19729 C CE . LYS M 55 ? 1.4920 1.3511 1.3704 -0.0605 0.0165 0.0152 57 LYS O CE +19730 N NZ . LYS M 55 ? 0.9285 0.7939 0.8138 -0.0614 0.0150 0.0138 57 LYS O NZ +19731 N N . ASN M 56 ? 1.9663 1.7944 1.8151 -0.0642 0.0271 0.0191 58 ASN O N +19732 C CA . ASN M 56 ? 2.0960 1.9146 1.9360 -0.0635 0.0276 0.0203 58 ASN O CA +19733 C C . ASN M 56 ? 2.2833 2.0956 2.1162 -0.0635 0.0299 0.0215 58 ASN O C +19734 O O . ASN M 56 ? 2.3185 2.1223 2.1433 -0.0625 0.0302 0.0226 58 ASN O O +19735 C CB . ASN M 56 ? 1.8978 1.7130 1.7373 -0.0668 0.0290 0.0198 58 ASN O CB +19736 C CG . ASN M 56 ? 2.0308 1.8485 1.8741 -0.0712 0.0323 0.0187 58 ASN O CG +19737 O OD1 . ASN M 56 ? 2.0866 1.9116 1.9363 -0.0718 0.0326 0.0179 58 ASN O OD1 +19738 N ND2 . ASN M 56 ? 2.2125 2.0239 2.0518 -0.0742 0.0347 0.0188 58 ASN O ND2 +19739 N N . LYS M 57 ? 1.9488 1.7648 1.7842 -0.0643 0.0316 0.0212 59 LYS O N +19740 C CA . LYS M 57 ? 2.0951 1.9058 1.9243 -0.0647 0.0343 0.0221 59 LYS O CA +19741 C C . LYS M 57 ? 2.2408 2.0436 2.0643 -0.0679 0.0376 0.0225 59 LYS O C +19742 O O . LYS M 57 ? 2.2118 2.0081 2.0282 -0.0680 0.0398 0.0235 59 LYS O O +19743 C CB . LYS M 57 ? 2.0439 1.8505 1.8667 -0.0605 0.0323 0.0234 59 LYS O CB +19744 C CG . LYS M 57 ? 1.9147 1.7285 1.7426 -0.0573 0.0289 0.0231 59 LYS O CG +19745 C CD . LYS M 57 ? 1.9703 1.7849 1.7993 -0.0549 0.0254 0.0232 59 LYS O CD +19746 C CE . LYS M 57 ? 1.8303 1.6515 1.6638 -0.0518 0.0223 0.0229 59 LYS O CE +19747 N NZ . LYS M 57 ? 1.8618 1.6918 1.7041 -0.0534 0.0225 0.0216 59 LYS O NZ +19748 N N . ARG M 58 ? 2.3750 2.1780 2.2011 -0.0706 0.0381 0.0217 60 ARG O N +19749 C CA . ARG M 58 ? 2.3326 2.1287 2.1543 -0.0742 0.0414 0.0219 60 ARG O CA +19750 C C . ARG M 58 ? 2.3330 2.1347 2.1620 -0.0787 0.0439 0.0203 60 ARG O C +19751 O O . ARG M 58 ? 2.1913 1.9884 2.0174 -0.0823 0.0473 0.0203 60 ARG O O +19752 C CB . ARG M 58 ? 2.3548 2.1441 2.1715 -0.0736 0.0401 0.0224 60 ARG O CB +19753 C CG . ARG M 58 ? 2.4182 2.2020 2.2276 -0.0689 0.0376 0.0239 60 ARG O CG +19754 C CD . ARG M 58 ? 2.3842 2.1633 2.1904 -0.0675 0.0354 0.0242 60 ARG O CD +19755 N NE . ARG M 58 ? 2.5869 2.3556 2.3848 -0.0692 0.0376 0.0250 60 ARG O NE +19756 C CZ . ARG M 58 ? 2.4978 2.2574 2.2861 -0.0668 0.0377 0.0265 60 ARG O CZ +19757 N NH1 . ARG M 58 ? 2.4564 2.2162 2.2421 -0.0626 0.0355 0.0274 60 ARG O NH1 +19758 N NH2 . ARG M 58 ? 2.1033 1.8533 1.8842 -0.0687 0.0398 0.0272 60 ARG O NH2 +19759 N N . GLN M 59 ? 2.3128 2.1242 2.1511 -0.0787 0.0421 0.0189 61 GLN O N +19760 C CA . GLN M 59 ? 2.3671 2.1855 2.2130 -0.0822 0.0443 0.0173 61 GLN O CA +19761 C C . GLN M 59 ? 2.4854 2.3046 2.3304 -0.0825 0.0469 0.0177 61 GLN O C +19762 O O . GLN M 59 ? 2.4564 2.2724 2.2962 -0.0795 0.0463 0.0189 61 GLN O O +19763 C CB . GLN M 59 ? 2.2007 2.0293 2.0562 -0.0813 0.0413 0.0159 61 GLN O CB +19764 C CG . GLN M 59 ? 2.4606 2.2900 2.3186 -0.0817 0.0390 0.0152 61 GLN O CG +19765 C CD . GLN M 59 ? 2.4465 2.2851 2.3127 -0.0799 0.0357 0.0142 61 GLN O CD +19766 O OE1 . GLN M 59 ? 2.1234 1.9668 1.9922 -0.0774 0.0345 0.0143 61 GLN O OE1 +19767 N NE2 . GLN M 59 ? 1.9956 1.8364 1.8655 -0.0810 0.0342 0.0131 61 GLN O NE2 +19768 N N . GLU M 60 ? 2.5990 2.4225 2.4491 -0.0861 0.0499 0.0165 62 GLU O N +19769 C CA . GLU M 60 ? 2.5297 2.3544 2.3794 -0.0865 0.0527 0.0166 62 GLU O CA +19770 C C . GLU M 60 ? 2.4503 2.2845 2.3073 -0.0842 0.0507 0.0158 62 GLU O C +19771 O O . GLU M 60 ? 2.4732 2.3152 2.3385 -0.0845 0.0489 0.0144 62 GLU O O +19772 C CB . GLU M 60 ? 2.5757 2.4009 2.4276 -0.0914 0.0571 0.0157 62 GLU O CB +19773 C CG . GLU M 60 ? 2.3652 2.1925 2.2176 -0.0920 0.0603 0.0156 62 GLU O CG +19774 C CD . GLU M 60 ? 2.5293 2.3480 2.3714 -0.0900 0.0614 0.0175 62 GLU O CD +19775 O OE1 . GLU M 60 ? 2.5689 2.3789 2.4037 -0.0920 0.0642 0.0184 62 GLU O OE1 +19776 O OE2 . GLU M 60 ? 2.3285 2.1488 2.1698 -0.0863 0.0595 0.0180 62 GLU O OE2 +19777 N N . ALA M 61 ? 1.8362 1.6693 1.6898 -0.0817 0.0509 0.0167 63 ALA O N +19778 C CA . ALA M 61 ? 1.7059 1.5470 1.5655 -0.0796 0.0494 0.0160 63 ALA O CA +19779 C C . ALA M 61 ? 1.4924 1.3383 1.3566 -0.0823 0.0530 0.0148 63 ALA O C +19780 O O . ALA M 61 ? 1.6070 1.4479 1.4663 -0.0842 0.0567 0.0154 63 ALA O O +19781 C CB . ALA M 61 ? 1.5197 1.3574 1.3734 -0.0756 0.0478 0.0173 63 ALA O CB +19782 N N . GLU M 62 ? 1.3976 1.2529 1.2710 -0.0824 0.0520 0.0133 64 GLU O N +19783 C CA . GLU M 62 ? 1.3959 1.2569 1.2748 -0.0848 0.0551 0.0121 64 GLU O CA +19784 C C . GLU M 62 ? 1.0456 0.9131 0.9287 -0.0819 0.0537 0.0116 64 GLU O C +19785 O O . GLU M 62 ? 1.0202 0.8892 0.9038 -0.0786 0.0500 0.0120 64 GLU O O +19786 C CB . GLU M 62 ? 1.3566 1.2234 1.2434 -0.0882 0.0558 0.0103 64 GLU O CB +19787 C CG . GLU M 62 ? 1.8374 1.6978 1.7202 -0.0918 0.0580 0.0106 64 GLU O CG +19788 C CD . GLU M 62 ? 2.1786 2.0437 2.0677 -0.0962 0.0612 0.0089 64 GLU O CD +19789 O OE1 . GLU M 62 ? 2.3188 2.1933 2.2169 -0.0964 0.0604 0.0073 64 GLU O OE1 +19790 O OE2 . GLU M 62 ? 1.7494 1.6088 1.6345 -0.0996 0.0645 0.0091 64 GLU O OE2 +19791 N N . PHE M 63 ? 1.0783 0.9493 0.9643 -0.0833 0.0568 0.0108 65 PHE O N +19792 C CA . PHE M 63 ? 1.0351 0.9125 0.9255 -0.0810 0.0560 0.0101 65 PHE O CA +19793 C C . PHE M 63 ? 0.9576 0.8447 0.8584 -0.0817 0.0547 0.0083 65 PHE O C +19794 O O . PHE M 63 ? 1.1343 1.0247 1.0398 -0.0851 0.0570 0.0071 65 PHE O O +19795 C CB . PHE M 63 ? 0.9021 0.7783 0.7900 -0.0819 0.0601 0.0101 65 PHE O CB +19796 C CG . PHE M 63 ? 1.0527 0.9200 0.9303 -0.0802 0.0608 0.0119 65 PHE O CG +19797 C CD1 . PHE M 63 ? 0.9250 0.7922 0.8002 -0.0766 0.0590 0.0124 65 PHE O CD1 +19798 C CD2 . PHE M 63 ? 1.1015 0.9602 0.9715 -0.0821 0.0630 0.0131 65 PHE O CD2 +19799 C CE1 . PHE M 63 ? 0.9478 0.8069 0.8135 -0.0750 0.0594 0.0140 65 PHE O CE1 +19800 C CE2 . PHE M 63 ? 1.0824 0.9328 0.9427 -0.0804 0.0634 0.0147 65 PHE O CE2 +19801 C CZ . PHE M 63 ? 1.0284 0.8792 0.8866 -0.0767 0.0616 0.0151 65 PHE O CZ +19802 N N . VAL M 64 ? 0.8925 0.7844 0.7970 -0.0786 0.0511 0.0080 66 VAL O N +19803 C CA . VAL M 64 ? 0.8769 0.7778 0.7910 -0.0787 0.0495 0.0063 66 VAL O CA +19804 C C . VAL M 64 ? 0.9575 0.8642 0.8757 -0.0774 0.0504 0.0055 66 VAL O C +19805 O O . VAL M 64 ? 0.7918 0.6956 0.7054 -0.0751 0.0506 0.0064 66 VAL O O +19806 C CB . VAL M 64 ? 0.8506 0.7528 0.7662 -0.0764 0.0449 0.0066 66 VAL O CB +19807 C CG1 . VAL M 64 ? 1.0772 0.9735 0.9885 -0.0777 0.0442 0.0074 66 VAL O CG1 +19808 C CG2 . VAL M 64 ? 0.8217 0.7223 0.7338 -0.0724 0.0424 0.0077 66 VAL O CG2 +19809 N N . PRO M 65 ? 0.9455 0.8603 0.8721 -0.0785 0.0509 0.0037 67 PRO O N +19810 C CA . PRO M 65 ? 0.9984 0.9189 0.9293 -0.0768 0.0514 0.0028 67 PRO O CA +19811 C C . PRO M 65 ? 0.8628 0.7858 0.7952 -0.0730 0.0473 0.0030 67 PRO O C +19812 O O . PRO M 65 ? 0.8159 0.7381 0.7481 -0.0719 0.0439 0.0035 67 PRO O O +19813 C CB . PRO M 65 ? 0.9448 0.8732 0.8845 -0.0794 0.0529 0.0008 67 PRO O CB +19814 C CG . PRO M 65 ? 1.0701 0.9989 1.0120 -0.0806 0.0504 0.0006 67 PRO O CG +19815 C CD . PRO M 65 ? 0.9024 0.8219 0.8355 -0.0808 0.0501 0.0024 67 PRO O CD +19816 N N . THR M 66 ? 0.9402 0.8659 0.8737 -0.0709 0.0476 0.0027 68 THR O N +19817 C CA . THR M 66 ? 0.8100 0.7375 0.7443 -0.0673 0.0441 0.0030 68 THR O CA +19818 C C . THR M 66 ? 0.8112 0.7458 0.7518 -0.0662 0.0447 0.0015 68 THR O C +19819 O O . THR M 66 ? 0.8434 0.7807 0.7865 -0.0679 0.0481 0.0005 68 THR O O +19820 C CB . THR M 66 ? 0.7901 0.7108 0.7162 -0.0651 0.0435 0.0046 68 THR O CB +19821 O OG1 . THR M 66 ? 0.7965 0.7152 0.7195 -0.0656 0.0471 0.0046 68 THR O OG1 +19822 C CG2 . THR M 66 ? 0.7059 0.6193 0.6254 -0.0656 0.0426 0.0060 68 THR O CG2 +19823 N N . LYS M 67 ? 0.7299 0.6674 0.6728 -0.0633 0.0415 0.0014 69 LYS O N +19824 C CA . LYS M 67 ? 0.7633 0.7073 0.7119 -0.0617 0.0414 0.0001 69 LYS O CA +19825 C C . LYS M 67 ? 0.7597 0.7007 0.7038 -0.0588 0.0409 0.0008 69 LYS O C +19826 O O . LYS M 67 ? 0.7424 0.6792 0.6821 -0.0571 0.0384 0.0020 69 LYS O O +19827 C CB . LYS M 67 ? 0.7188 0.6684 0.6738 -0.0606 0.0380 -0.0008 69 LYS O CB +19828 C CG . LYS M 67 ? 1.0858 1.0433 1.0484 -0.0601 0.0386 -0.0025 69 LYS O CG +19829 C CD . LYS M 67 ? 1.0553 1.0184 1.0247 -0.0618 0.0377 -0.0038 69 LYS O CD +19830 C CE . LYS M 67 ? 0.9867 0.9486 0.9557 -0.0609 0.0337 -0.0031 69 LYS O CE +19831 N NZ . LYS M 67 ? 1.2090 1.1776 1.1855 -0.0615 0.0321 -0.0046 69 LYS O NZ +19832 N N . LEU M 68 ? 0.6957 0.6388 0.6409 -0.0584 0.0435 0.0000 70 LEU O N +19833 C CA . LEU M 68 ? 0.6801 0.6205 0.6211 -0.0558 0.0433 0.0005 70 LEU O CA +19834 C C . LEU M 68 ? 0.7565 0.7013 0.7017 -0.0529 0.0401 -0.0001 70 LEU O C +19835 O O . LEU M 68 ? 0.7256 0.6770 0.6778 -0.0528 0.0401 -0.0015 70 LEU O O +19836 C CB . LEU M 68 ? 0.7013 0.6419 0.6414 -0.0566 0.0475 -0.0002 70 LEU O CB +19837 C CG . LEU M 68 ? 0.7536 0.6920 0.6898 -0.0540 0.0478 0.0000 70 LEU O CG +19838 C CD1 . LEU M 68 ? 0.6597 0.5896 0.5866 -0.0534 0.0474 0.0017 70 LEU O CD1 +19839 C CD2 . LEU M 68 ? 0.6929 0.6340 0.6310 -0.0547 0.0520 -0.0012 70 LEU O CD2 +19840 N N . VAL M 69 ? 0.6972 0.6383 0.6382 -0.0506 0.0375 0.0009 71 VAL O N +19841 C CA . VAL M 69 ? 0.6736 0.6180 0.6179 -0.0479 0.0343 0.0005 71 VAL O CA +19842 C C . VAL M 69 ? 0.6779 0.6207 0.6194 -0.0455 0.0345 0.0005 71 VAL O C +19843 O O . VAL M 69 ? 0.6678 0.6129 0.6117 -0.0433 0.0321 0.0001 71 VAL O O +19844 C CB . VAL M 69 ? 0.6617 0.6041 0.6049 -0.0472 0.0306 0.0016 71 VAL O CB +19845 C CG1 . VAL M 69 ? 0.6134 0.5579 0.5599 -0.0494 0.0303 0.0014 71 VAL O CG1 +19846 C CG2 . VAL M 69 ? 0.6470 0.5824 0.5824 -0.0468 0.0300 0.0031 71 VAL O CG2 +19847 N N . THR M 70 ? 0.5972 0.5359 0.5335 -0.0460 0.0372 0.0008 72 THR O N +19848 C CA . THR M 70 ? 0.5816 0.5182 0.5145 -0.0437 0.0372 0.0007 72 THR O CA +19849 C C . THR M 70 ? 0.6442 0.5839 0.5795 -0.0437 0.0406 -0.0006 72 THR O C +19850 O O . THR M 70 ? 0.6689 0.6059 0.6002 -0.0423 0.0416 -0.0006 72 THR O O +19851 C CB . THR M 70 ? 0.6204 0.5496 0.5449 -0.0435 0.0371 0.0021 72 THR O CB +19852 O OG1 . THR M 70 ? 0.7187 0.6449 0.6401 -0.0460 0.0398 0.0027 72 THR O OG1 +19853 C CG2 . THR M 70 ? 0.6187 0.5457 0.5416 -0.0425 0.0332 0.0032 72 THR O CG2 +19854 N N A ARG M 71 ? 0.6682 0.6136 0.6098 -0.0453 0.0424 -0.0017 73 ARG O N +19855 N N B ARG M 71 ? 0.6686 0.6141 0.6103 -0.0452 0.0423 -0.0017 73 ARG O N +19856 C CA A ARG M 71 ? 0.6370 0.5871 0.5827 -0.0448 0.0450 -0.0033 73 ARG O CA +19857 C CA B ARG M 71 ? 0.6358 0.5860 0.5816 -0.0448 0.0450 -0.0033 73 ARG O CA +19858 C C A ARG M 71 ? 0.7396 0.6865 0.6808 -0.0459 0.0492 -0.0033 73 ARG O C +19859 C C B ARG M 71 ? 0.7409 0.6877 0.6820 -0.0459 0.0492 -0.0033 73 ARG O C +19860 O O A ARG M 71 ? 0.6827 0.6243 0.6183 -0.0477 0.0505 -0.0021 73 ARG O O +19861 O O B ARG M 71 ? 0.6841 0.6254 0.6194 -0.0475 0.0503 -0.0021 73 ARG O O +19862 C CB A ARG M 71 ? 0.6470 0.5991 0.5945 -0.0415 0.0427 -0.0039 73 ARG O CB +19863 C CB B ARG M 71 ? 0.6465 0.5986 0.5940 -0.0415 0.0427 -0.0039 73 ARG O CB +19864 C CG A ARG M 71 ? 0.6432 0.5981 0.5948 -0.0405 0.0385 -0.0038 73 ARG O CG +19865 C CG B ARG M 71 ? 0.6432 0.5981 0.5947 -0.0404 0.0385 -0.0038 73 ARG O CG +19866 C CD A ARG M 71 ? 0.6111 0.5677 0.5644 -0.0374 0.0363 -0.0043 73 ARG O CD +19867 C CD B ARG M 71 ? 0.6110 0.5676 0.5642 -0.0373 0.0363 -0.0043 73 ARG O CD +19868 N NE A ARG M 71 ? 0.6649 0.6278 0.6243 -0.0366 0.0379 -0.0060 73 ARG O NE +19869 N NE B ARG M 71 ? 0.6649 0.6277 0.6241 -0.0365 0.0379 -0.0060 73 ARG O NE +19870 C CZ A ARG M 71 ? 0.6837 0.6486 0.6449 -0.0338 0.0368 -0.0068 73 ARG O CZ +19871 C CZ B ARG M 71 ? 0.6845 0.6492 0.6456 -0.0337 0.0367 -0.0068 73 ARG O CZ +19872 N NH1 A ARG M 71 ? 0.6828 0.6436 0.6400 -0.0318 0.0343 -0.0061 73 ARG O NH1 +19873 N NH1 B ARG M 71 ? 0.6836 0.6444 0.6407 -0.0317 0.0341 -0.0061 73 ARG O NH1 +19874 N NH2 A ARG M 71 ? 0.7222 0.6930 0.6892 -0.0331 0.0382 -0.0084 73 ARG O NH2 +19875 N NH2 B ARG M 71 ? 0.7235 0.6941 0.6903 -0.0329 0.0382 -0.0084 73 ARG O NH2 +19876 N N . GLU M 72 ? 0.7172 0.6673 0.6607 -0.0449 0.0515 -0.0046 74 GLU O N +19877 C CA . GLU M 72 ? 0.6901 0.6383 0.6304 -0.0461 0.0561 -0.0048 74 GLU O CA +19878 C C . GLU M 72 ? 0.7209 0.6618 0.6524 -0.0447 0.0563 -0.0038 74 GLU O C +19879 O O . GLU M 72 ? 0.7021 0.6426 0.6319 -0.0432 0.0580 -0.0045 74 GLU O O +19880 C CB . GLU M 72 ? 0.6763 0.6313 0.6229 -0.0454 0.0584 -0.0067 74 GLU O CB +19881 C CG . GLU M 72 ? 0.7565 0.7189 0.7117 -0.0473 0.0591 -0.0079 74 GLU O CG +19882 C CD . GLU M 72 ? 0.8849 0.8458 0.8390 -0.0511 0.0621 -0.0075 74 GLU O CD +19883 O OE1 . GLU M 72 ? 0.9910 0.9491 0.9412 -0.0523 0.0661 -0.0074 74 GLU O OE1 +19884 O OE2 . GLU M 72 ? 1.0649 1.0268 1.0214 -0.0528 0.0604 -0.0072 74 GLU O OE2 +19885 N N . THR M 73 ? 0.6847 0.6196 0.6103 -0.0453 0.0546 -0.0022 75 THR O N +19886 C CA . THR M 73 ? 0.6699 0.5979 0.5872 -0.0436 0.0537 -0.0013 75 THR O CA +19887 C C . THR M 73 ? 0.6952 0.6166 0.6053 -0.0455 0.0554 0.0001 75 THR O C +19888 O O . THR M 73 ? 0.7570 0.6724 0.6604 -0.0445 0.0535 0.0013 75 THR O O +19889 C CB . THR M 73 ? 0.7048 0.6317 0.6216 -0.0415 0.0489 -0.0006 75 THR O CB +19890 O OG1 . THR M 73 ? 0.6890 0.6156 0.6069 -0.0429 0.0468 0.0003 75 THR O OG1 +19891 C CG2 . THR M 73 ? 0.6413 0.5738 0.5643 -0.0393 0.0471 -0.0019 75 THR O CG2 +19892 N N . THR M 74 ? 0.6755 0.5978 0.5869 -0.0483 0.0589 -0.0001 76 THR O N +19893 C CA . THR M 74 ? 0.7365 0.6532 0.6424 -0.0506 0.0599 0.0013 76 THR O CA +19894 C C . THR M 74 ? 0.7668 0.6783 0.6660 -0.0517 0.0642 0.0017 76 THR O C +19895 O O . THR M 74 ? 0.7142 0.6193 0.6067 -0.0529 0.0646 0.0031 76 THR O O +19896 C CB . THR M 74 ? 0.7754 0.6960 0.6871 -0.0534 0.0604 0.0011 76 THR O CB +19897 O OG1 . THR M 74 ? 0.7211 0.6479 0.6392 -0.0548 0.0638 -0.0005 76 THR O OG1 +19898 C CG2 . THR M 74 ? 0.6334 0.5578 0.5504 -0.0524 0.0560 0.0010 76 THR O CG2 +19899 N N . SER M 75 ? 0.7069 0.6207 0.6072 -0.0514 0.0674 0.0005 77 SER O N +19900 C CA . SER M 75 ? 0.6583 0.5682 0.5533 -0.0530 0.0721 0.0008 77 SER O CA +19901 C C . SER M 75 ? 0.7939 0.6963 0.6793 -0.0510 0.0720 0.0017 77 SER O C +19902 O O . SER M 75 ? 0.7542 0.6564 0.6386 -0.0481 0.0695 0.0013 77 SER O O +19903 C CB . SER M 75 ? 0.7226 0.6388 0.6236 -0.0536 0.0760 -0.0010 77 SER O CB +19904 O OG . SER M 75 ? 0.7576 0.6807 0.6673 -0.0558 0.0765 -0.0019 77 SER O OG +19905 N N . LEU M 76 ? 0.7618 0.6574 0.6396 -0.0526 0.0747 0.0028 78 LEU O N +19906 C CA . LEU M 76 ? 0.8381 0.7265 0.7063 -0.0511 0.0755 0.0035 78 LEU O CA +19907 C C . LEU M 76 ? 0.8634 0.7529 0.7312 -0.0516 0.0805 0.0024 78 LEU O C +19908 O O . LEU M 76 ? 0.7826 0.6755 0.6545 -0.0543 0.0843 0.0019 78 LEU O O +19909 C CB . LEU M 76 ? 0.7533 0.6334 0.6129 -0.0523 0.0757 0.0053 78 LEU O CB +19910 C CG . LEU M 76 ? 0.7961 0.6762 0.6576 -0.0529 0.0719 0.0062 78 LEU O CG +19911 C CD1 . LEU M 76 ? 0.7289 0.6007 0.5820 -0.0542 0.0726 0.0079 78 LEU O CD1 +19912 C CD2 . LEU M 76 ? 0.7176 0.5991 0.5806 -0.0499 0.0666 0.0062 78 LEU O CD2 +19913 N N . ASP M 77 ? 0.7500 0.6369 0.6132 -0.0491 0.0805 0.0021 79 ASP O N +19914 C CA . ASP M 77 ? 0.8436 0.7319 0.7067 -0.0492 0.0851 0.0010 79 ASP O CA +19915 C C . ASP M 77 ? 0.7736 0.6554 0.6275 -0.0467 0.0852 0.0013 79 ASP O C +19916 O O . ASP M 77 ? 0.8439 0.7207 0.6923 -0.0449 0.0813 0.0022 79 ASP O O +19917 C CB . ASP M 77 ? 0.7636 0.6613 0.6369 -0.0484 0.0853 -0.0009 79 ASP O CB +19918 C CG . ASP M 77 ? 0.8972 0.7980 0.7726 -0.0495 0.0908 -0.0022 79 ASP O CG +19919 O OD1 . ASP M 77 ? 0.8202 0.7153 0.6883 -0.0507 0.0946 -0.0015 79 ASP O OD1 +19920 O OD2 . ASP M 77 ? 0.8532 0.7619 0.7372 -0.0490 0.0914 -0.0038 79 ASP O OD2 +19921 N N . GLN M 78 ? 0.8765 0.7582 0.7286 -0.0468 0.0897 0.0004 80 GLN O N +19922 C CA . GLN M 78 ? 0.7275 0.6030 0.5706 -0.0448 0.0907 0.0005 80 GLN O CA +19923 C C . GLN M 78 ? 0.8701 0.7359 0.7023 -0.0449 0.0897 0.0024 80 GLN O C +19924 O O . GLN M 78 ? 0.8724 0.7327 0.6972 -0.0425 0.0878 0.0027 80 GLN O O +19925 C CB . GLN M 78 ? 0.7946 0.6721 0.6393 -0.0413 0.0872 -0.0005 80 GLN O CB +19926 C CG . GLN M 78 ? 0.7633 0.6504 0.6190 -0.0408 0.0876 -0.0024 80 GLN O CG +19927 C CD . GLN M 78 ? 1.2626 1.1506 1.1181 -0.0374 0.0862 -0.0036 80 GLN O CD +19928 O OE1 . GLN M 78 ? 1.3558 1.2401 1.2054 -0.0364 0.0889 -0.0040 80 GLN O OE1 +19929 N NE2 . GLN M 78 ? 1.0774 0.9701 0.9393 -0.0358 0.0822 -0.0043 80 GLN O NE2 +19930 N N . ILE M 79 ? 0.8209 0.6845 0.6520 -0.0476 0.0910 0.0036 81 ILE O N +19931 C CA . ILE M 79 ? 0.8935 0.7479 0.7143 -0.0479 0.0904 0.0054 81 ILE O CA +19932 C C . ILE M 79 ? 1.0135 0.8622 0.8263 -0.0487 0.0957 0.0057 81 ILE O C +19933 O O . ILE M 79 ? 0.8436 0.6957 0.6599 -0.0508 0.1006 0.0049 81 ILE O O +19934 C CB . ILE M 79 ? 0.8950 0.7494 0.7181 -0.0504 0.0895 0.0065 81 ILE O CB +19935 C CG1 . ILE M 79 ? 0.9211 0.7798 0.7505 -0.0491 0.0838 0.0064 81 ILE O CG1 +19936 C CG2 . ILE M 79 ? 0.8025 0.6469 0.6145 -0.0511 0.0901 0.0084 81 ILE O CG2 +19937 C CD1 . ILE M 79 ? 0.8749 0.7358 0.7091 -0.0516 0.0830 0.0070 81 ILE O CD1 +19938 N N . GLN M 80 ? 0.9220 0.7619 0.7237 -0.0472 0.0947 0.0068 82 GLN O N +19939 C CA . GLN M 80 ? 0.9915 0.8252 0.7845 -0.0477 0.0995 0.0071 82 GLN O CA +19940 C C . GLN M 80 ? 0.9760 0.7994 0.7571 -0.0471 0.0982 0.0090 82 GLN O C +19941 O O . GLN M 80 ? 0.8881 0.7092 0.6674 -0.0456 0.0931 0.0098 82 GLN O O +19942 C CB . GLN M 80 ? 1.0230 0.8578 0.8149 -0.0452 0.1005 0.0057 82 GLN O CB +19943 C CG . GLN M 80 ? 1.0698 0.9010 0.8567 -0.0417 0.0953 0.0057 82 GLN O CG +19944 C CD . GLN M 80 ? 1.4335 1.2658 1.2195 -0.0393 0.0962 0.0042 82 GLN O CD +19945 O OE1 . GLN M 80 ? 1.3197 1.1580 1.1121 -0.0398 0.0995 0.0028 82 GLN O OE1 +19946 N NE2 . GLN M 80 ? 1.3758 1.2023 1.1539 -0.0366 0.0931 0.0044 82 GLN O NE2 +19947 N N . GLY M 81 ? 0.9927 0.8097 0.7657 -0.0483 0.1029 0.0097 83 GLY O N +19948 C CA . GLY M 81 ? 1.0012 0.8078 0.7620 -0.0478 0.1022 0.0115 83 GLY O CA +19949 C C . GLY M 81 ? 1.0756 0.8765 0.8294 -0.0501 0.1084 0.0122 83 GLY O C +19950 O O . GLY M 81 ? 0.9070 0.7125 0.6661 -0.0524 0.1133 0.0113 83 GLY O O +19951 N N . GLU M 82 ? 1.0702 0.8609 0.8119 -0.0493 0.1081 0.0138 84 GLU O N +19952 C CA . GLU M 82 ? 1.0404 0.8240 0.7734 -0.0512 0.1139 0.0147 84 GLU O CA +19953 C C . GLU M 82 ? 1.2309 1.0148 0.9669 -0.0552 0.1170 0.0156 84 GLU O C +19954 O O . GLU M 82 ? 1.0586 0.8432 0.7976 -0.0559 0.1137 0.0164 84 GLU O O +19955 C CB . GLU M 82 ? 1.0802 0.8524 0.7989 -0.0489 0.1123 0.0162 84 GLU O CB +19956 C CG . GLU M 82 ? 1.5732 1.3378 1.2821 -0.0504 0.1185 0.0170 84 GLU O CG +19957 C CD . GLU M 82 ? 1.7466 1.4994 1.4407 -0.0483 0.1171 0.0186 84 GLU O CD +19958 O OE1 . GLU M 82 ? 1.8072 1.5573 1.4988 -0.0462 0.1115 0.0194 84 GLU O OE1 +19959 O OE2 . GLU M 82 ? 1.8136 1.5599 1.4986 -0.0485 0.1217 0.0190 84 GLU O OE2 +19960 N N . LEU M 83 ? 1.0412 0.8245 0.7762 -0.0579 0.1235 0.0155 85 LEU O N +19961 C CA . LEU M 83 ? 1.1314 0.9134 0.8673 -0.0621 0.1274 0.0163 85 LEU O CA +19962 C C . LEU M 83 ? 1.1927 0.9629 0.9145 -0.0626 0.1313 0.0180 85 LEU O C +19963 O O . LEU M 83 ? 1.1949 0.9637 0.9133 -0.0634 0.1365 0.0176 85 LEU O O +19964 C CB . LEU M 83 ? 0.9072 0.6988 0.6543 -0.0651 0.1320 0.0147 85 LEU O CB +19965 C CG . LEU M 83 ? 1.0000 0.7918 0.7500 -0.0698 0.1362 0.0152 85 LEU O CG +19966 C CD1 . LEU M 83 ? 1.0295 0.8225 0.7838 -0.0706 0.1318 0.0160 85 LEU O CD1 +19967 C CD2 . LEU M 83 ? 1.0934 0.8951 0.8543 -0.0723 0.1407 0.0133 85 LEU O CD2 +19968 N N . LYS M 84 ? 1.2565 1.0182 0.9698 -0.0621 0.1286 0.0199 86 LYS O N +19969 C CA . LYS M 84 ? 1.2388 0.9883 0.9375 -0.0619 0.1312 0.0216 86 LYS O CA +19970 C C . LYS M 84 ? 1.1974 0.9429 0.8939 -0.0663 0.1367 0.0227 86 LYS O C +19971 O O . LYS M 84 ? 1.1299 0.8781 0.8324 -0.0687 0.1359 0.0230 86 LYS O O +19972 C CB . LYS M 84 ? 1.1526 0.8944 0.8426 -0.0587 0.1253 0.0231 86 LYS O CB +19973 C CG . LYS M 84 ? 1.5353 1.2804 1.2270 -0.0545 0.1195 0.0221 86 LYS O CG +19974 C CD . LYS M 84 ? 1.4713 1.2074 1.1520 -0.0511 0.1146 0.0236 86 LYS O CD +19975 C CE . LYS M 84 ? 1.5455 1.2810 1.2283 -0.0514 0.1106 0.0247 86 LYS O CE +19976 N NZ . LYS M 84 ? 1.3963 1.1248 1.0702 -0.0477 0.1050 0.0257 86 LYS O NZ +19977 N N . VAL M 85 ? 1.2654 1.0042 0.9530 -0.0674 0.1424 0.0233 87 VAL O N +19978 C CA . VAL M 85 ? 1.4464 1.1789 1.1289 -0.0714 0.1477 0.0247 87 VAL O CA +19979 C C . VAL M 85 ? 1.1430 0.8628 0.8118 -0.0698 0.1453 0.0270 87 VAL O C +19980 O O . VAL M 85 ? 1.2653 0.9783 0.9240 -0.0662 0.1433 0.0276 87 VAL O O +19981 C CB . VAL M 85 ? 1.3492 1.0803 1.0284 -0.0735 0.1552 0.0243 87 VAL O CB +19982 C CG1 . VAL M 85 ? 1.3519 1.0814 1.0320 -0.0787 0.1610 0.0249 87 VAL O CG1 +19983 C CG2 . VAL M 85 ? 1.3235 1.0659 1.0134 -0.0729 0.1562 0.0218 87 VAL O CG2 +19984 N N . ASN M 86 ? 1.2915 1.0080 0.9599 -0.0722 0.1453 0.0283 88 ASN O N +19985 C CA . ASN M 86 ? 1.4283 1.1333 1.0846 -0.0707 0.1427 0.0305 88 ASN O CA +19986 C C . ASN M 86 ? 1.5639 1.2579 1.2087 -0.0734 0.1489 0.0321 88 ASN O C +19987 O O . ASN M 86 ? 1.2016 0.8975 0.8487 -0.0770 0.1554 0.0316 88 ASN O O +19988 C CB . ASN M 86 ? 1.4348 1.1423 1.0972 -0.0712 0.1382 0.0308 88 ASN O CB +19989 C CG . ASN M 86 ? 1.3466 1.0639 1.0194 -0.0685 0.1319 0.0294 88 ASN O CG +19990 O OD1 . ASN M 86 ? 1.2953 1.0117 0.9646 -0.0643 0.1277 0.0292 88 ASN O OD1 +19991 N ND2 . ASN M 86 ? 1.1293 0.8559 0.8149 -0.0707 0.1312 0.0283 88 ASN O ND2 +19992 N N . SER M 87 ? 1.5278 1.2102 1.1600 -0.0716 0.1468 0.0342 89 SER O N +19993 C CA . SER M 87 ? 1.6046 1.2750 1.2243 -0.0738 0.1521 0.0361 89 SER O CA +19994 C C . SER M 87 ? 1.4713 1.1440 1.0972 -0.0795 0.1575 0.0361 89 SER O C +19995 O O . SER M 87 ? 1.5166 1.1865 1.1392 -0.0828 0.1644 0.0362 89 SER O O +19996 C CB . SER M 87 ? 1.3304 0.9891 0.9378 -0.0710 0.1480 0.0383 89 SER O CB +19997 O OG . SER M 87 ? 1.6205 1.2755 1.2202 -0.0659 0.1437 0.0384 89 SER O OG +19998 N N . ASP M 88 ? 1.2209 0.8991 0.8560 -0.0810 0.1545 0.0358 90 ASP O N +19999 C CA . ASP M 88 ? 1.1475 0.8274 0.7882 -0.0863 0.1588 0.0358 90 ASP O CA +20000 C C . ASP M 88 ? 1.3245 1.0174 0.9797 -0.0896 0.1623 0.0335 90 ASP O C +20001 O O . ASP M 88 ? 1.2195 0.9174 0.8833 -0.0936 0.1640 0.0329 90 ASP O O +20002 C CB . ASP M 88 ? 1.2952 0.9753 0.9395 -0.0863 0.1538 0.0363 90 ASP O CB +20003 C CG . ASP M 88 ? 1.4269 1.1187 1.0836 -0.0837 0.1475 0.0347 90 ASP O CG +20004 O OD1 . ASP M 88 ? 1.5311 1.2250 1.1869 -0.0796 0.1440 0.0341 90 ASP O OD1 +20005 O OD2 . ASP M 88 ? 1.5828 1.2817 1.2501 -0.0860 0.1463 0.0339 90 ASP O OD2 +20006 N N . GLY M 89 ? 1.2346 0.9334 0.8929 -0.0878 0.1631 0.0320 91 GLY O N +20007 C CA . GLY M 89 ? 1.3378 1.0493 1.0099 -0.0903 0.1661 0.0297 91 GLY O CA +20008 C C . GLY M 89 ? 1.4159 1.1398 1.1030 -0.0899 0.1611 0.0281 91 GLY O C +20009 O O . GLY M 89 ? 1.2491 0.9839 0.9483 -0.0921 0.1635 0.0261 91 GLY O O +20010 N N . SER M 90 ? 1.2221 0.9448 0.9088 -0.0870 0.1544 0.0287 92 SER O N +20011 C CA . SER M 90 ? 1.3970 1.1313 1.0974 -0.0862 0.1495 0.0271 92 SER O CA +20012 C C . SER M 90 ? 1.3514 1.0920 1.0553 -0.0820 0.1463 0.0258 92 SER O C +20013 O O . SER M 90 ? 1.3916 1.1260 1.0858 -0.0790 0.1461 0.0264 92 SER O O +20014 C CB . SER M 90 ? 1.0399 0.7711 0.7392 -0.0849 0.1438 0.0283 92 SER O CB +20015 O OG . SER M 90 ? 1.1491 0.8731 0.8386 -0.0802 0.1391 0.0294 92 SER O OG +20016 N N . LEU M 91 ? 1.2665 1.0193 0.9842 -0.0820 0.1439 0.0239 93 LEU O N +20017 C CA . LEU M 91 ? 1.3089 1.0684 1.0314 -0.0782 0.1404 0.0224 93 LEU O CA +20018 C C . LEU M 91 ? 1.0753 0.8368 0.8006 -0.0751 0.1328 0.0226 93 LEU O C +20019 O O . LEU M 91 ? 1.1718 0.9360 0.9029 -0.0766 0.1306 0.0227 93 LEU O O +20020 C CB . LEU M 91 ? 1.2671 1.0391 1.0030 -0.0801 0.1430 0.0201 93 LEU O CB +20021 C CG . LEU M 91 ? 1.4816 1.2535 1.2167 -0.0834 0.1507 0.0196 93 LEU O CG +20022 C CD1 . LEU M 91 ? 1.1347 0.9199 0.8842 -0.0851 0.1528 0.0172 93 LEU O CD1 +20023 C CD2 . LEU M 91 ? 1.3337 1.0979 1.0570 -0.0809 0.1529 0.0203 93 LEU O CD2 +20024 N N . THR M 92 ? 1.0612 0.8214 0.7825 -0.0707 0.1288 0.0225 94 THR O N +20025 C CA . THR M 92 ? 1.1748 0.9377 0.8994 -0.0675 0.1217 0.0224 94 THR O CA +20026 C C . THR M 92 ? 1.1701 0.9417 0.9023 -0.0650 0.1193 0.0206 94 THR O C +20027 O O . THR M 92 ? 1.0759 0.8456 0.8031 -0.0630 0.1205 0.0202 94 THR O O +20028 C CB . THR M 92 ? 1.2076 0.9599 0.9197 -0.0645 0.1181 0.0242 94 THR O CB +20029 O OG1 . THR M 92 ? 1.1946 0.9397 0.9013 -0.0666 0.1192 0.0259 94 THR O OG1 +20030 C CG2 . THR M 92 ? 1.0627 0.8189 0.7786 -0.0608 0.1109 0.0238 94 THR O CG2 +20031 N N . PHE M 93 ? 1.1566 0.9376 0.9006 -0.0650 0.1159 0.0194 95 PHE O N +20032 C CA . PHE M 93 ? 1.0451 0.8340 0.7962 -0.0622 0.1125 0.0178 95 PHE O CA +20033 C C . PHE M 93 ? 0.9267 0.7130 0.6745 -0.0586 0.1058 0.0185 95 PHE O C +20034 O O . PHE M 93 ? 0.9419 0.7268 0.6902 -0.0588 0.1027 0.0194 95 PHE O O +20035 C CB . PHE M 93 ? 0.9618 0.7623 0.7273 -0.0642 0.1126 0.0162 95 PHE O CB +20036 C CG . PHE M 93 ? 1.2487 1.0571 1.0218 -0.0613 0.1087 0.0147 95 PHE O CG +20037 C CD1 . PHE M 93 ? 0.9349 0.7444 0.7065 -0.0593 0.1100 0.0136 95 PHE O CD1 +20038 C CD2 . PHE M 93 ? 1.0148 0.8292 0.7962 -0.0606 0.1038 0.0143 95 PHE O CD2 +20039 C CE1 . PHE M 93 ? 0.9814 0.7976 0.7595 -0.0566 0.1065 0.0122 95 PHE O CE1 +20040 C CE2 . PHE M 93 ? 1.0085 0.8298 0.7965 -0.0580 0.1003 0.0129 95 PHE O CE2 +20041 C CZ . PHE M 93 ? 0.9398 0.7619 0.7261 -0.0560 0.1016 0.0119 95 PHE O CZ +20042 N N . VAL M 94 ? 0.8270 0.6125 0.5714 -0.0552 0.1037 0.0179 96 VAL O N +20043 C CA . VAL M 94 ? 1.0321 0.8161 0.7742 -0.0517 0.0973 0.0183 96 VAL O CA +20044 C C . VAL M 94 ? 0.9931 0.7860 0.7442 -0.0498 0.0947 0.0164 96 VAL O C +20045 O O . VAL M 94 ? 1.0246 0.8179 0.7739 -0.0485 0.0962 0.0155 96 VAL O O +20046 C CB . VAL M 94 ? 1.0888 0.8625 0.8172 -0.0491 0.0966 0.0194 96 VAL O CB +20047 C CG1 . VAL M 94 ? 0.8376 0.6108 0.5647 -0.0455 0.0898 0.0195 96 VAL O CG1 +20048 C CG2 . VAL M 94 ? 1.0166 0.7810 0.7356 -0.0509 0.0994 0.0213 96 VAL O CG2 +20049 N N . GLU M 95 ? 1.0220 0.8218 0.7824 -0.0498 0.0908 0.0159 97 GLU O N +20050 C CA . GLU M 95 ? 1.0162 0.8241 0.7851 -0.0480 0.0881 0.0143 97 GLU O CA +20051 C C . GLU M 95 ? 0.9873 0.7915 0.7499 -0.0444 0.0846 0.0142 97 GLU O C +20052 O O . GLU M 95 ? 1.0488 0.8473 0.8049 -0.0427 0.0809 0.0153 97 GLU O O +20053 C CB . GLU M 95 ? 1.0896 0.9042 0.8682 -0.0484 0.0842 0.0141 97 GLU O CB +20054 C CG . GLU M 95 ? 1.1723 0.9964 0.9614 -0.0476 0.0829 0.0123 97 GLU O CG +20055 C CD . GLU M 95 ? 1.0281 0.8550 0.8207 -0.0451 0.0767 0.0121 97 GLU O CD +20056 O OE1 . GLU M 95 ? 0.9279 0.7501 0.7156 -0.0442 0.0733 0.0133 97 GLU O OE1 +20057 O OE2 . GLU M 95 ? 0.9548 0.7886 0.7549 -0.0442 0.0753 0.0107 97 GLU O OE2 +20058 N N A GLU M 96 ? 0.9567 0.7640 0.7209 -0.0431 0.0856 0.0128 98 GLU O N +20059 N N B GLU M 96 ? 0.9565 0.7640 0.7210 -0.0431 0.0856 0.0127 98 GLU O N +20060 C CA A GLU M 96 ? 1.0185 0.8232 0.7779 -0.0397 0.0820 0.0123 98 GLU O CA +20061 C CA B GLU M 96 ? 1.0191 0.8243 0.7790 -0.0397 0.0824 0.0122 98 GLU O CA +20062 C C A GLU M 96 ? 1.1509 0.9634 0.9195 -0.0381 0.0781 0.0110 98 GLU O C +20063 C C B GLU M 96 ? 1.1488 0.9616 0.9178 -0.0382 0.0779 0.0110 98 GLU O C +20064 O O A GLU M 96 ? 1.0215 0.8325 0.7879 -0.0357 0.0732 0.0110 98 GLU O O +20065 O O B GLU M 96 ? 1.0062 0.8175 0.7734 -0.0360 0.0729 0.0112 98 GLU O O +20066 C CB A GLU M 96 ? 1.0855 0.8859 0.8375 -0.0389 0.0859 0.0119 98 GLU O CB +20067 C CB B GLU M 96 ? 1.0804 0.8835 0.8356 -0.0392 0.0866 0.0114 98 GLU O CB +20068 C CG A GLU M 96 ? 1.2444 1.0340 0.9830 -0.0383 0.0867 0.0134 98 GLU O CG +20069 C CG B GLU M 96 ? 1.1591 0.9614 0.9114 -0.0359 0.0837 0.0104 98 GLU O CG +20070 C CD A GLU M 96 ? 1.3628 1.1481 1.0954 -0.0398 0.0931 0.0136 98 GLU O CD +20071 C CD B GLU M 96 ? 1.2503 1.0529 1.0009 -0.0356 0.0880 0.0091 98 GLU O CD +20072 O OE1 A GLU M 96 ? 1.1940 0.9810 0.9267 -0.0390 0.0954 0.0123 98 GLU O OE1 +20073 O OE1 B GLU M 96 ? 1.2464 1.0567 1.0060 -0.0361 0.0896 0.0077 98 GLU O OE1 +20074 O OE2 A GLU M 96 ? 1.3149 1.0951 1.0426 -0.0419 0.0960 0.0150 98 GLU O OE2 +20075 O OE2 B GLU M 96 ? 1.3969 1.1919 1.1370 -0.0347 0.0898 0.0096 98 GLU O OE2 +20076 N N . ASP M 97 ? 0.9104 0.7313 0.6892 -0.0393 0.0797 0.0097 99 ASP O N +20077 C CA . ASP M 97 ? 0.8844 0.7123 0.6716 -0.0377 0.0760 0.0084 99 ASP O CA +20078 C C . ASP M 97 ? 1.0000 0.8367 0.7985 -0.0397 0.0781 0.0074 99 ASP O C +20079 O O . ASP M 97 ? 0.9270 0.7647 0.7267 -0.0421 0.0829 0.0074 99 ASP O O +20080 C CB . ASP M 97 ? 0.9178 0.7445 0.7014 -0.0350 0.0754 0.0073 99 ASP O CB +20081 C CG . ASP M 97 ? 0.9995 0.8319 0.7900 -0.0331 0.0709 0.0061 99 ASP O CG +20082 O OD1 . ASP M 97 ? 1.1431 0.9785 0.9387 -0.0332 0.0671 0.0065 99 ASP O OD1 +20083 O OD2 . ASP M 97 ? 0.9879 0.8214 0.7785 -0.0314 0.0712 0.0048 99 ASP O OD2 +20084 N N . GLY M 98 ? 0.8153 0.6585 0.6219 -0.0387 0.0746 0.0066 100 GLY O N +20085 C CA . GLY M 98 ? 0.7988 0.6508 0.6163 -0.0397 0.0760 0.0053 100 GLY O CA +20086 C C . GLY M 98 ? 0.8864 0.7437 0.7115 -0.0392 0.0713 0.0052 100 GLY O C +20087 O O . GLY M 98 ? 0.7218 0.5761 0.5440 -0.0379 0.0670 0.0060 100 GLY O O +20088 N N . ILE M 99 ? 0.7501 0.6153 0.5851 -0.0403 0.0722 0.0041 101 ILE O N +20089 C CA . ILE M 99 ? 0.7435 0.6141 0.5863 -0.0401 0.0682 0.0040 101 ILE O CA +20090 C C . ILE M 99 ? 0.8455 0.7155 0.6892 -0.0428 0.0688 0.0051 101 ILE O C +20091 O O . ILE M 99 ? 0.7587 0.6336 0.6087 -0.0451 0.0713 0.0047 101 ILE O O +20092 C CB . ILE M 99 ? 0.8393 0.7183 0.6917 -0.0396 0.0684 0.0024 101 ILE O CB +20093 C CG1 . ILE M 99 ? 0.8206 0.6989 0.6708 -0.0368 0.0678 0.0013 101 ILE O CG1 +20094 C CG2 . ILE M 99 ? 0.7352 0.6192 0.5950 -0.0395 0.0643 0.0024 101 ILE O CG2 +20095 C CD1 . ILE M 99 ? 0.7728 0.6581 0.6305 -0.0362 0.0694 -0.0004 101 ILE O CD1 +20096 N N . ASP M 100 ? 0.7623 0.6261 0.5994 -0.0425 0.0664 0.0066 102 ASP O N +20097 C CA . ASP M 100 ? 0.7468 0.6072 0.5813 -0.0448 0.0676 0.0079 102 ASP O CA +20098 C C . ASP M 100 ? 0.7871 0.6491 0.6252 -0.0449 0.0634 0.0086 102 ASP O C +20099 O O . ASP M 100 ? 0.7452 0.6025 0.5790 -0.0460 0.0631 0.0099 102 ASP O O +20100 C CB . ASP M 100 ? 0.7378 0.5889 0.5607 -0.0445 0.0689 0.0091 102 ASP O CB +20101 C CG . ASP M 100 ? 0.9252 0.7717 0.7421 -0.0416 0.0643 0.0097 102 ASP O CG +20102 O OD1 . ASP M 100 ? 0.7972 0.6474 0.6187 -0.0401 0.0601 0.0093 102 ASP O OD1 +20103 O OD2 . ASP M 100 ? 0.8708 0.7097 0.6781 -0.0409 0.0650 0.0106 102 ASP O OD2 +20104 N N . PHE M 101 ? 0.7598 0.6280 0.6054 -0.0438 0.0603 0.0077 103 PHE O N +20105 C CA . PHE M 101 ? 0.7577 0.6280 0.6073 -0.0438 0.0565 0.0083 103 PHE O CA +20106 C C . PHE M 101 ? 0.7417 0.6203 0.6012 -0.0434 0.0550 0.0069 103 PHE O C +20107 O O . PHE M 101 ? 0.7424 0.6237 0.6038 -0.0419 0.0553 0.0058 103 PHE O O +20108 C CB . PHE M 101 ? 0.7833 0.6490 0.6273 -0.0416 0.0522 0.0092 103 PHE O CB +20109 C CG . PHE M 101 ? 0.7507 0.6181 0.5956 -0.0390 0.0497 0.0083 103 PHE O CG +20110 C CD1 . PHE M 101 ? 0.7719 0.6360 0.6113 -0.0377 0.0513 0.0078 103 PHE O CD1 +20111 C CD2 . PHE M 101 ? 0.7123 0.5845 0.5634 -0.0380 0.0460 0.0078 103 PHE O CD2 +20112 C CE1 . PHE M 101 ? 0.7543 0.6198 0.5944 -0.0354 0.0490 0.0069 103 PHE O CE1 +20113 C CE2 . PHE M 101 ? 0.7094 0.5829 0.5613 -0.0357 0.0438 0.0070 103 PHE O CE2 +20114 C CZ . PHE M 101 ? 0.7245 0.5946 0.5709 -0.0345 0.0453 0.0065 103 PHE O CZ +20115 N N . GLN M 102 ? 0.7382 0.6208 0.6037 -0.0446 0.0535 0.0071 104 GLN O N +20116 C CA . GLN M 102 ? 0.6919 0.5816 0.5661 -0.0439 0.0511 0.0061 104 GLN O CA +20117 C C . GLN M 102 ? 0.6789 0.5689 0.5550 -0.0441 0.0476 0.0069 104 GLN O C +20118 O O . GLN M 102 ? 0.7911 0.6796 0.6665 -0.0462 0.0487 0.0076 104 GLN O O +20119 C CB . GLN M 102 ? 0.6748 0.5713 0.5568 -0.0455 0.0540 0.0048 104 GLN O CB +20120 C CG . GLN M 102 ? 0.7468 0.6441 0.6283 -0.0452 0.0577 0.0037 104 GLN O CG +20121 C CD . GLN M 102 ? 0.8208 0.7193 0.7025 -0.0423 0.0559 0.0029 104 GLN O CD +20122 O OE1 . GLN M 102 ? 0.7640 0.6640 0.6479 -0.0406 0.0519 0.0029 104 GLN O OE1 +20123 N NE2 . GLN M 102 ? 0.7634 0.6611 0.6427 -0.0417 0.0589 0.0022 104 GLN O NE2 +20124 N N . PRO M 103 ? 0.7694 0.6612 0.6476 -0.0422 0.0436 0.0069 105 PRO O N +20125 C CA . PRO M 103 ? 0.6736 0.5671 0.5552 -0.0425 0.0406 0.0074 105 PRO O CA +20126 C C . PRO M 103 ? 0.6913 0.5915 0.5813 -0.0441 0.0417 0.0065 105 PRO O C +20127 O O . PRO M 103 ? 0.6972 0.6022 0.5921 -0.0439 0.0429 0.0053 105 PRO O O +20128 C CB . PRO M 103 ? 0.7113 0.6055 0.5934 -0.0400 0.0366 0.0073 105 PRO O CB +20129 C CG . PRO M 103 ? 0.6689 0.5653 0.5523 -0.0388 0.0378 0.0061 105 PRO O CG +20130 C CD . PRO M 103 ? 0.6756 0.5682 0.5538 -0.0397 0.0418 0.0062 105 PRO O CD +20131 N N . VAL M 104 ? 0.6820 0.5821 0.5733 -0.0459 0.0413 0.0071 106 VAL O N +20132 C CA . VAL M 104 ? 0.6470 0.5530 0.5459 -0.0477 0.0422 0.0063 106 VAL O CA +20133 C C . VAL M 104 ? 0.5795 0.4865 0.4808 -0.0477 0.0388 0.0069 106 VAL O C +20134 O O . VAL M 104 ? 0.7011 0.6031 0.5973 -0.0477 0.0375 0.0081 106 VAL O O +20135 C CB . VAL M 104 ? 0.7347 0.6395 0.6325 -0.0506 0.0464 0.0063 106 VAL O CB +20136 C CG1 . VAL M 104 ? 0.6541 0.5648 0.5597 -0.0527 0.0471 0.0054 106 VAL O CG1 +20137 C CG2 . VAL M 104 ? 0.7141 0.6180 0.6095 -0.0506 0.0501 0.0057 106 VAL O CG2 +20138 N N . THR M 105 ? 0.6255 0.5387 0.5342 -0.0476 0.0374 0.0060 107 THR O N +20139 C CA . THR M 105 ? 0.6075 0.5219 0.5188 -0.0481 0.0347 0.0064 107 THR O CA +20140 C C . THR M 105 ? 0.6978 0.6169 0.6153 -0.0504 0.0363 0.0055 107 THR O C +20141 O O . THR M 105 ? 0.6550 0.5798 0.5783 -0.0504 0.0372 0.0042 107 THR O O +20142 C CB . THR M 105 ? 0.6341 0.5511 0.5483 -0.0458 0.0309 0.0064 107 THR O CB +20143 O OG1 . THR M 105 ? 0.6611 0.5739 0.5698 -0.0437 0.0294 0.0070 107 THR O OG1 +20144 C CG2 . THR M 105 ? 0.5805 0.4981 0.4966 -0.0462 0.0283 0.0069 107 THR O CG2 +20145 N N . VAL M 106 ? 0.6649 0.5816 0.5809 -0.0524 0.0367 0.0062 108 VAL O N +20146 C CA . VAL M 106 ? 0.7547 0.6755 0.6763 -0.0547 0.0376 0.0054 108 VAL O CA +20147 C C . VAL M 106 ? 0.7856 0.7069 0.7088 -0.0544 0.0342 0.0058 108 VAL O C +20148 O O . VAL M 106 ? 0.7560 0.6731 0.6748 -0.0530 0.0319 0.0070 108 VAL O O +20149 C CB . VAL M 106 ? 0.7368 0.6544 0.6556 -0.0577 0.0414 0.0056 108 VAL O CB +20150 C CG1 . VAL M 106 ? 0.6390 0.5570 0.5569 -0.0581 0.0450 0.0049 108 VAL O CG1 +20151 C CG2 . VAL M 106 ? 0.6171 0.5269 0.5280 -0.0579 0.0409 0.0072 108 VAL O CG2 +20152 N N . GLN M 107 ? 0.6676 0.5942 0.5973 -0.0556 0.0338 0.0048 109 GLN O N +20153 C CA . GLN M 107 ? 0.7663 0.6939 0.6981 -0.0554 0.0307 0.0051 109 GLN O CA +20154 C C . GLN M 107 ? 0.7518 0.6791 0.6847 -0.0583 0.0320 0.0049 109 GLN O C +20155 O O . GLN M 107 ? 0.7708 0.7015 0.7076 -0.0604 0.0344 0.0037 109 GLN O O +20156 C CB . GLN M 107 ? 0.6696 0.6037 0.6081 -0.0538 0.0284 0.0041 109 GLN O CB +20157 C CG . GLN M 107 ? 0.6812 0.6162 0.6213 -0.0529 0.0250 0.0044 109 GLN O CG +20158 C CD . GLN M 107 ? 0.7242 0.6645 0.6694 -0.0509 0.0227 0.0036 109 GLN O CD +20159 O OE1 . GLN M 107 ? 0.6998 0.6399 0.6440 -0.0487 0.0221 0.0038 109 GLN O OE1 +20160 N NE2 . GLN M 107 ? 0.6216 0.5666 0.5724 -0.0515 0.0216 0.0027 109 GLN O NE2 +20161 N N . MET M 108 ? 0.7382 0.6613 0.6675 -0.0585 0.0304 0.0059 110 MET O N +20162 C CA . MET M 108 ? 0.7584 0.6806 0.6884 -0.0612 0.0311 0.0057 110 MET O CA +20163 C C . MET M 108 ? 0.7962 0.7240 0.7327 -0.0613 0.0287 0.0048 110 MET O C +20164 O O . MET M 108 ? 0.7982 0.7296 0.7378 -0.0590 0.0262 0.0045 110 MET O O +20165 C CB . MET M 108 ? 0.7978 0.7127 0.7207 -0.0612 0.0305 0.0073 110 MET O CB +20166 C CG . MET M 108 ? 0.9716 0.8804 0.8875 -0.0613 0.0330 0.0082 110 MET O CG +20167 S SD . MET M 108 ? 1.0738 0.9740 0.9814 -0.0612 0.0322 0.0099 110 MET O SD +20168 C CE . MET M 108 ? 1.3130 1.2142 1.2238 -0.0641 0.0323 0.0093 110 MET O CE +20169 N N . ALA M 109 ? 0.7479 0.6763 0.6865 -0.0640 0.0296 0.0042 111 ALA O N +20170 C CA . ALA M 109 ? 0.7916 0.7244 0.7354 -0.0642 0.0272 0.0033 111 ALA O CA +20171 C C . ALA M 109 ? 0.7882 0.7182 0.7290 -0.0619 0.0238 0.0045 111 ALA O C +20172 O O . ALA M 109 ? 0.7761 0.6999 0.7107 -0.0617 0.0238 0.0058 111 ALA O O +20173 C CB . ALA M 109 ? 0.7351 0.6679 0.6804 -0.0676 0.0287 0.0026 111 ALA O CB +20174 N N . GLY M 110 ? 0.7234 0.6579 0.6686 -0.0601 0.0210 0.0040 112 GLY O N +20175 C CA . GLY M 110 ? 0.7897 0.7221 0.7325 -0.0579 0.0179 0.0050 112 GLY O CA +20176 C C . GLY M 110 ? 0.8275 0.7599 0.7690 -0.0550 0.0167 0.0056 112 GLY O C +20177 O O . GLY M 110 ? 0.7572 0.6894 0.6982 -0.0531 0.0139 0.0062 112 GLY O O +20178 N N . GLY M 111 ? 0.8149 0.7473 0.7556 -0.0547 0.0186 0.0055 113 GLY O N +20179 C CA . GLY M 111 ? 0.7967 0.7299 0.7369 -0.0521 0.0176 0.0058 113 GLY O CA +20180 C C . GLY M 111 ? 0.7785 0.7061 0.7122 -0.0511 0.0181 0.0070 113 GLY O C +20181 O O . GLY M 111 ? 0.7682 0.6961 0.7012 -0.0492 0.0175 0.0071 113 GLY O O +20182 N N . GLU M 112 ? 0.7162 0.6384 0.6447 -0.0523 0.0191 0.0079 114 GLU O N +20183 C CA . GLU M 112 ? 0.8238 0.7406 0.7459 -0.0511 0.0194 0.0090 114 GLU O CA +20184 C C . GLU M 112 ? 0.8271 0.7438 0.7481 -0.0513 0.0221 0.0087 114 GLU O C +20185 O O . GLU M 112 ? 0.7431 0.6605 0.6653 -0.0535 0.0249 0.0080 114 GLU O O +20186 C CB . GLU M 112 ? 0.7653 0.6761 0.6819 -0.0523 0.0200 0.0100 114 GLU O CB +20187 C CG . GLU M 112 ? 0.8760 0.7811 0.7856 -0.0509 0.0202 0.0112 114 GLU O CG +20188 C CD . GLU M 112 ? 1.0062 0.9050 0.9100 -0.0519 0.0209 0.0122 114 GLU O CD +20189 O OE1 . GLU M 112 ? 1.2717 1.1705 1.1769 -0.0540 0.0217 0.0119 114 GLU O OE1 +20190 O OE2 . GLU M 112 ? 1.3251 1.2190 1.2230 -0.0505 0.0205 0.0132 114 GLU O OE2 +20191 N N . ARG M 113 ? 0.7113 0.6271 0.6302 -0.0492 0.0212 0.0090 115 ARG O N +20192 C CA . ARG M 113 ? 0.6674 0.5828 0.5848 -0.0490 0.0234 0.0087 115 ARG O CA +20193 C C . ARG M 113 ? 0.7251 0.6338 0.6349 -0.0490 0.0247 0.0097 115 ARG O C +20194 O O . ARG M 113 ? 0.7337 0.6385 0.6393 -0.0477 0.0226 0.0108 115 ARG O O +20195 C CB . ARG M 113 ? 0.6929 0.6109 0.6122 -0.0466 0.0217 0.0083 115 ARG O CB +20196 C CG . ARG M 113 ? 0.8046 0.7292 0.7311 -0.0465 0.0213 0.0071 115 ARG O CG +20197 C CD . ARG M 113 ? 0.7204 0.6470 0.6488 -0.0443 0.0181 0.0071 115 ARG O CD +20198 N NE . ARG M 113 ? 0.7070 0.6394 0.6418 -0.0439 0.0177 0.0060 115 ARG O NE +20199 C CZ . ARG M 113 ? 0.6366 0.5711 0.5734 -0.0419 0.0156 0.0058 115 ARG O CZ +20200 N NH1 . ARG M 113 ? 0.6479 0.5794 0.5811 -0.0402 0.0140 0.0066 115 ARG O NH1 +20201 N NH2 . ARG M 113 ? 0.5620 0.5017 0.5044 -0.0414 0.0154 0.0047 115 ARG O NH2 +20202 N N . ILE M 114 ? 0.6651 0.5724 0.5731 -0.0505 0.0280 0.0095 116 ILE O N +20203 C CA . ILE M 114 ? 0.6202 0.5208 0.5205 -0.0506 0.0296 0.0105 116 ILE O CA +20204 C C . ILE M 114 ? 0.7364 0.6368 0.6350 -0.0495 0.0310 0.0101 116 ILE O C +20205 O O . ILE M 114 ? 0.6961 0.5992 0.5974 -0.0507 0.0338 0.0092 116 ILE O O +20206 C CB . ILE M 114 ? 0.7569 0.6548 0.6554 -0.0535 0.0328 0.0106 116 ILE O CB +20207 C CG1 . ILE M 114 ? 0.7145 0.6136 0.6159 -0.0549 0.0316 0.0106 116 ILE O CG1 +20208 C CG2 . ILE M 114 ? 0.6376 0.5276 0.5272 -0.0533 0.0340 0.0118 116 ILE O CG2 +20209 C CD1 . ILE M 114 ? 0.8537 0.7496 0.7521 -0.0533 0.0284 0.0116 116 ILE O CD1 +20210 N N . PRO M 115 ? 0.7211 0.6185 0.6154 -0.0472 0.0292 0.0107 117 PRO O N +20211 C CA . PRO M 115 ? 0.7262 0.6222 0.6175 -0.0463 0.0308 0.0104 117 PRO O CA +20212 C C . PRO M 115 ? 0.7025 0.5916 0.5858 -0.0469 0.0330 0.0113 117 PRO O C +20213 O O . PRO M 115 ? 0.7154 0.5998 0.5940 -0.0468 0.0320 0.0124 117 PRO O O +20214 C CB . PRO M 115 ? 0.6433 0.5396 0.5341 -0.0436 0.0273 0.0106 117 PRO O CB +20215 C CG . PRO M 115 ? 0.6872 0.5849 0.5806 -0.0432 0.0241 0.0110 117 PRO O CG +20216 C CD . PRO M 115 ? 0.7096 0.6059 0.6027 -0.0453 0.0255 0.0114 117 PRO O CD +20217 N N . LEU M 116 ? 0.6477 0.5363 0.5296 -0.0475 0.0361 0.0108 118 LEU O N +20218 C CA . LEU M 116 ? 0.6819 0.5639 0.5559 -0.0480 0.0385 0.0117 118 LEU O CA +20219 C C . LEU M 116 ? 0.7859 0.6675 0.6577 -0.0469 0.0402 0.0111 118 LEU O C +20220 O O . LEU M 116 ? 0.7265 0.6134 0.6037 -0.0466 0.0408 0.0099 118 LEU O O +20221 C CB . LEU M 116 ? 0.7671 0.6479 0.6409 -0.0510 0.0420 0.0118 118 LEU O CB +20222 C CG . LEU M 116 ? 0.7365 0.6231 0.6169 -0.0528 0.0450 0.0104 118 LEU O CG +20223 C CD1 . LEU M 116 ? 0.7959 0.6788 0.6722 -0.0551 0.0496 0.0106 118 LEU O CD1 +20224 C CD2 . LEU M 116 ? 0.6740 0.5661 0.5619 -0.0542 0.0439 0.0098 118 LEU O CD2 +20225 N N . LEU M 117 ? 0.6772 0.5522 0.5407 -0.0461 0.0408 0.0119 119 LEU O N +20226 C CA . LEU M 117 ? 0.7560 0.6294 0.6160 -0.0452 0.0428 0.0115 119 LEU O CA +20227 C C . LEU M 117 ? 0.7270 0.5984 0.5849 -0.0477 0.0476 0.0115 119 LEU O C +20228 O O . LEU M 117 ? 0.7489 0.6138 0.5996 -0.0483 0.0490 0.0126 119 LEU O O +20229 C CB . LEU M 117 ? 0.6898 0.5572 0.5418 -0.0430 0.0408 0.0123 119 LEU O CB +20230 C CG . LEU M 117 ? 0.7833 0.6492 0.6318 -0.0416 0.0420 0.0117 119 LEU O CG +20231 C CD1 . LEU M 117 ? 0.6918 0.5635 0.5463 -0.0399 0.0397 0.0105 119 LEU O CD1 +20232 C CD2 . LEU M 117 ? 0.7910 0.6496 0.6301 -0.0400 0.0409 0.0126 119 LEU O CD2 +20233 N N . PHE M 118 ? 0.6694 0.5464 0.5338 -0.0492 0.0501 0.0103 120 PHE O N +20234 C CA . PHE M 118 ? 0.7109 0.5867 0.5740 -0.0517 0.0550 0.0101 120 PHE O CA +20235 C C . PHE M 118 ? 0.7837 0.6548 0.6397 -0.0507 0.0572 0.0103 120 PHE O C +20236 O O . PHE M 118 ? 0.7266 0.6004 0.5842 -0.0490 0.0570 0.0093 120 PHE O O +20237 C CB . PHE M 118 ? 0.6215 0.5054 0.4940 -0.0532 0.0568 0.0086 120 PHE O CB +20238 C CG . PHE M 118 ? 0.8291 0.7129 0.7012 -0.0556 0.0620 0.0081 120 PHE O CG +20239 C CD1 . PHE M 118 ? 0.7705 0.6487 0.6372 -0.0579 0.0647 0.0091 120 PHE O CD1 +20240 C CD2 . PHE M 118 ? 0.8172 0.7068 0.6947 -0.0556 0.0642 0.0066 120 PHE O CD2 +20241 C CE1 . PHE M 118 ? 0.8278 0.7059 0.6941 -0.0603 0.0697 0.0086 120 PHE O CE1 +20242 C CE2 . PHE M 118 ? 0.7593 0.6493 0.6368 -0.0578 0.0692 0.0061 120 PHE O CE2 +20243 C CZ . PHE M 118 ? 0.8483 0.7326 0.7203 -0.0603 0.0720 0.0071 120 PHE O CZ +20244 N N . THR M 119 ? 0.7475 0.6113 0.5953 -0.0516 0.0594 0.0114 121 THR O N +20245 C CA . THR M 119 ? 0.7874 0.6460 0.6274 -0.0501 0.0608 0.0116 121 THR O CA +20246 C C . THR M 119 ? 0.9365 0.7888 0.7695 -0.0522 0.0652 0.0125 121 THR O C +20247 O O . THR M 119 ? 0.7609 0.6112 0.5934 -0.0544 0.0663 0.0132 121 THR O O +20248 C CB . THR M 119 ? 0.7009 0.5550 0.5351 -0.0472 0.0566 0.0124 121 THR O CB +20249 O OG1 . THR M 119 ? 0.7817 0.6317 0.6092 -0.0456 0.0577 0.0123 121 THR O OG1 +20250 C CG2 . THR M 119 ? 0.7246 0.5727 0.5531 -0.0475 0.0552 0.0140 121 THR O CG2 +20251 N N . VAL M 120 ? 0.8257 0.6744 0.6528 -0.0514 0.0677 0.0124 122 VAL O N +20252 C CA . VAL M 120 ? 0.8392 0.6798 0.6570 -0.0526 0.0711 0.0135 122 VAL O CA +20253 C C . VAL M 120 ? 0.8376 0.6718 0.6461 -0.0498 0.0698 0.0141 122 VAL O C +20254 O O . VAL M 120 ? 0.8327 0.6615 0.6340 -0.0501 0.0733 0.0144 122 VAL O O +20255 C CB . VAL M 120 ? 0.7623 0.6047 0.5819 -0.0552 0.0769 0.0127 122 VAL O CB +20256 C CG1 . VAL M 120 ? 0.7825 0.6303 0.6102 -0.0585 0.0785 0.0123 122 VAL O CG1 +20257 C CG2 . VAL M 120 ? 0.7216 0.5686 0.5444 -0.0539 0.0781 0.0113 122 VAL O CG2 +20258 N N . LYS M 121 ? 0.8153 0.6497 0.6236 -0.0470 0.0649 0.0141 123 LYS O N +20259 C CA . LYS M 121 ? 0.7773 0.6060 0.5772 -0.0443 0.0633 0.0145 123 LYS O CA +20260 C C . LYS M 121 ? 0.8757 0.6950 0.6647 -0.0446 0.0649 0.0160 123 LYS O C +20261 O O . LYS M 121 ? 0.8494 0.6659 0.6369 -0.0457 0.0645 0.0171 123 LYS O O +20262 C CB . LYS M 121 ? 0.7380 0.5682 0.5394 -0.0416 0.0575 0.0144 123 LYS O CB +20263 C CG . LYS M 121 ? 0.7615 0.5994 0.5712 -0.0405 0.0556 0.0129 123 LYS O CG +20264 C CD . LYS M 121 ? 0.8368 0.6756 0.6475 -0.0382 0.0500 0.0130 123 LYS O CD +20265 C CE . LYS M 121 ? 0.7738 0.6186 0.5908 -0.0368 0.0482 0.0116 123 LYS O CE +20266 N NZ . LYS M 121 ? 0.7662 0.6096 0.5797 -0.0360 0.0509 0.0107 123 LYS O NZ +20267 N N . ASN M 122 ? 0.8668 0.6809 0.6480 -0.0435 0.0668 0.0161 124 ASN O N +20268 C CA . ASN M 122 ? 0.9027 0.7071 0.6723 -0.0435 0.0686 0.0175 124 ASN O CA +20269 C C . ASN M 122 ? 0.9313 0.7335 0.7002 -0.0468 0.0731 0.0183 124 ASN O C +20270 O O . ASN M 122 ? 0.9550 0.7497 0.7161 -0.0472 0.0735 0.0197 124 ASN O O +20271 C CB . ASN M 122 ? 0.8702 0.6694 0.6339 -0.0412 0.0639 0.0186 124 ASN O CB +20272 C CG . ASN M 122 ? 1.1195 0.9212 0.8844 -0.0381 0.0591 0.0178 124 ASN O CG +20273 O OD1 . ASN M 122 ? 1.2205 1.0242 0.9884 -0.0369 0.0547 0.0180 124 ASN O OD1 +20274 N ND2 . ASN M 122 ? 0.9522 0.7538 0.7149 -0.0369 0.0602 0.0169 124 ASN O ND2 +20275 N N . LEU M 123 ? 0.8346 0.6431 0.6113 -0.0494 0.0766 0.0172 125 LEU O N +20276 C CA . LEU M 123 ? 0.9232 0.7301 0.6999 -0.0529 0.0811 0.0178 125 LEU O CA +20277 C C . LEU M 123 ? 0.9938 0.7917 0.7593 -0.0535 0.0852 0.0188 125 LEU O C +20278 O O . LEU M 123 ? 0.9508 0.7471 0.7122 -0.0523 0.0870 0.0183 125 LEU O O +20279 C CB . LEU M 123 ? 0.8829 0.6988 0.6702 -0.0553 0.0842 0.0162 125 LEU O CB +20280 C CG . LEU M 123 ? 0.9072 0.7229 0.6959 -0.0593 0.0895 0.0163 125 LEU O CG +20281 C CD1 . LEU M 123 ? 0.8841 0.6978 0.6732 -0.0610 0.0880 0.0174 125 LEU O CD1 +20282 C CD2 . LEU M 123 ? 0.9124 0.7380 0.7121 -0.0609 0.0918 0.0145 125 LEU O CD2 +20283 N N . VAL M 124 ? 0.9208 0.7122 0.6807 -0.0552 0.0866 0.0203 126 VAL O N +20284 C CA . VAL M 124 ? 0.9493 0.7323 0.6993 -0.0566 0.0914 0.0213 126 VAL O CA +20285 C C . VAL M 124 ? 0.8559 0.6401 0.6099 -0.0609 0.0955 0.0214 126 VAL O C +20286 O O . VAL M 124 ? 0.9844 0.7685 0.7407 -0.0619 0.0935 0.0220 126 VAL O O +20287 C CB . VAL M 124 ? 1.0235 0.7958 0.7611 -0.0544 0.0892 0.0231 126 VAL O CB +20288 C CG1 . VAL M 124 ? 1.0398 0.8031 0.7673 -0.0562 0.0944 0.0243 126 VAL O CG1 +20289 C CG2 . VAL M 124 ? 0.8414 0.6126 0.5749 -0.0503 0.0854 0.0227 126 VAL O CG2 +20290 N N . ALA M 125 ? 0.9322 0.7180 0.6876 -0.0634 0.1010 0.0208 127 ALA O N +20291 C CA . ALA M 125 ? 1.0285 0.8169 0.7892 -0.0677 0.1051 0.0206 127 ALA O CA +20292 C C . ALA M 125 ? 1.0445 0.8263 0.7975 -0.0702 0.1114 0.0212 127 ALA O C +20293 O O . ALA M 125 ? 1.1512 0.9321 0.9008 -0.0692 0.1140 0.0208 127 ALA O O +20294 C CB . ALA M 125 ? 0.8366 0.6371 0.6111 -0.0690 0.1055 0.0185 127 ALA O CB +20295 N N . SER M 126 ? 1.1842 0.9612 0.9344 -0.0733 0.1140 0.0223 128 SER O N +20296 C CA . SER M 126 ? 1.1474 0.9165 0.8888 -0.0758 0.1200 0.0233 128 SER O CA +20297 C C . SER M 126 ? 1.0977 0.8705 0.8458 -0.0809 0.1247 0.0227 128 SER O C +20298 O O . SER M 126 ? 1.0518 0.8294 0.8077 -0.0825 0.1227 0.0223 128 SER O O +20299 C CB . SER M 126 ? 0.9551 0.7116 0.6831 -0.0745 0.1188 0.0255 128 SER O CB +20300 O OG . SER M 126 ? 1.0685 0.8211 0.7895 -0.0700 0.1150 0.0260 128 SER O OG +20301 N N . THR M 127 ? 1.1157 0.8861 0.8605 -0.0834 0.1309 0.0226 129 THR O N +20302 C CA . THR M 127 ? 1.2463 1.0185 0.9955 -0.0885 0.1360 0.0223 129 THR O CA +20303 C C . THR M 127 ? 1.1440 0.9042 0.8822 -0.0906 0.1382 0.0244 129 THR O C +20304 O O . THR M 127 ? 1.0645 0.8152 0.7918 -0.0879 0.1356 0.0261 129 THR O O +20305 C CB . THR M 127 ? 1.1845 0.9612 0.9369 -0.0906 0.1420 0.0210 129 THR O CB +20306 O OG1 . THR M 127 ? 1.2987 1.0661 1.0386 -0.0892 0.1448 0.0222 129 THR O OG1 +20307 C CG2 . THR M 127 ? 1.1746 0.9631 0.9381 -0.0885 0.1399 0.0188 129 THR O CG2 +20308 N N . GLN M 128 ? 1.2381 0.9989 0.9794 -0.0956 0.1430 0.0242 130 GLN O N +20309 C CA . GLN M 128 ? 1.1452 0.8945 0.8759 -0.0982 0.1466 0.0260 130 GLN O CA +20310 C C . GLN M 128 ? 1.2679 1.0098 0.9880 -0.0981 0.1516 0.0268 130 GLN O C +20311 O O . GLN M 128 ? 1.1105 0.8579 0.8339 -0.0970 0.1533 0.0256 130 GLN O O +20312 C CB . GLN M 128 ? 1.1666 0.9194 0.9046 -0.1038 0.1504 0.0253 130 GLN O CB +20313 C CG . GLN M 128 ? 1.5120 1.2763 1.2618 -0.1068 0.1546 0.0230 130 GLN O CG +20314 C CD . GLN M 128 ? 1.6913 1.4690 1.4552 -0.1051 0.1501 0.0210 130 GLN O CD +20315 O OE1 . GLN M 128 ? 1.2177 0.9990 0.9827 -0.1010 0.1469 0.0205 130 GLN O OE1 +20316 N NE2 . GLN M 128 ? 1.4835 1.2686 1.2581 -0.1084 0.1500 0.0197 130 GLN O NE2 +20317 N N . PRO M 129 ? 1.3146 1.0437 1.0216 -0.0989 0.1539 0.0289 131 PRO O N +20318 C CA . PRO M 129 ? 1.2506 0.9716 0.9463 -0.0982 0.1582 0.0299 131 PRO O CA +20319 C C . PRO M 129 ? 1.1600 0.8852 0.8598 -0.1023 0.1656 0.0287 131 PRO O C +20320 O O . PRO M 129 ? 1.1404 0.8733 0.8508 -0.1064 0.1681 0.0274 131 PRO O O +20321 C CB . PRO M 129 ? 1.1865 0.8930 0.8681 -0.0985 0.1588 0.0324 131 PRO O CB +20322 C CG . PRO M 129 ? 1.3168 1.0238 1.0012 -0.0971 0.1526 0.0328 131 PRO O CG +20323 C CD . PRO M 129 ? 1.1836 0.9042 0.8844 -0.0995 0.1518 0.0306 131 PRO O CD +20324 N N . ASN M 130 ? 1.1481 0.8685 0.8396 -0.1011 0.1690 0.0291 132 ASN O N +20325 C CA . ASN M 130 ? 1.4712 1.1933 1.1637 -0.1046 0.1766 0.0284 132 ASN O CA +20326 C C . ASN M 130 ? 1.3411 1.0786 1.0503 -0.1065 0.1777 0.0257 132 ASN O C +20327 O O . ASN M 130 ? 1.4626 1.2050 1.1797 -0.1113 0.1813 0.0248 132 ASN O O +20328 C CB . ASN M 130 ? 1.6290 1.3419 1.3143 -0.1094 0.1822 0.0299 132 ASN O CB +20329 C CG . ASN M 130 ? 2.0915 1.8054 1.7769 -0.1132 0.1904 0.0292 132 ASN O CG +20330 O OD1 . ASN M 130 ? 2.3656 2.0833 2.0577 -0.1184 0.1949 0.0285 132 ASN O OD1 +20331 N ND2 . ASN M 130 ? 2.1661 1.8769 1.8444 -0.1107 0.1926 0.0293 132 ASN O ND2 +20332 N N . VAL M 131 ? 1.3226 1.0674 1.0370 -0.1026 0.1742 0.0244 133 VAL O N +20333 C CA . VAL M 131 ? 1.3725 1.1317 1.1020 -0.1035 0.1748 0.0218 133 VAL O CA +20334 C C . VAL M 131 ? 1.4350 1.1950 1.1621 -0.1032 0.1801 0.0210 133 VAL O C +20335 O O . VAL M 131 ? 1.4816 1.2412 1.2051 -0.0990 0.1780 0.0208 133 VAL O O +20336 C CB . VAL M 131 ? 1.4255 1.1925 1.1629 -0.0994 0.1673 0.0207 133 VAL O CB +20337 C CG1 . VAL M 131 ? 1.4200 1.2013 1.1719 -0.0997 0.1681 0.0181 133 VAL O CG1 +20338 C CG2 . VAL M 131 ? 1.2158 0.9824 0.9561 -0.1000 0.1625 0.0214 133 VAL O CG2 +20339 N N . THR M 132 ? 1.3627 1.1237 1.0916 -0.1079 0.1872 0.0205 134 THR O N +20340 C CA . THR M 132 ? 1.5083 1.2710 1.2359 -0.1078 0.1926 0.0196 134 THR O CA +20341 C C . THR M 132 ? 1.3152 1.0926 1.0575 -0.1068 0.1918 0.0169 134 THR O C +20342 O O . THR M 132 ? 1.3268 1.1064 1.0681 -0.1041 0.1929 0.0160 134 THR O O +20343 C CB . THR M 132 ? 1.3581 1.1167 1.0823 -0.1131 0.2009 0.0201 134 THR O CB +20344 O OG1 . THR M 132 ? 1.3308 1.0997 1.0688 -0.1177 0.2030 0.0184 134 THR O OG1 +20345 C CG2 . THR M 132 ? 1.2771 1.0208 0.9871 -0.1143 0.2015 0.0228 134 THR O CG2 +20346 N N . SER M 133 ? 1.2335 1.0208 0.9890 -0.1087 0.1895 0.0155 135 SER O N +20347 C CA . SER M 133 ? 1.3802 1.1816 1.1499 -0.1074 0.1877 0.0130 135 SER O CA +20348 C C . SER M 133 ? 1.4834 1.2902 1.2611 -0.1061 0.1806 0.0126 135 SER O C +20349 O O . SER M 133 ? 1.3832 1.1870 1.1607 -0.1085 0.1792 0.0136 135 SER O O +20350 C CB . SER M 133 ? 1.3361 1.1466 1.1162 -0.1120 0.1940 0.0111 135 SER O CB +20351 O OG . SER M 133 ? 1.4087 1.2157 1.1826 -0.1129 0.2007 0.0111 135 SER O OG +20352 N N . ILE M 134 ? 1.3145 1.1291 1.0991 -0.1021 0.1760 0.0113 136 ILE O N +20353 C CA . ILE M 134 ? 1.1170 0.9392 0.9117 -0.1014 0.1701 0.0105 136 ILE O CA +20354 C C . ILE M 134 ? 1.1221 0.9556 0.9306 -0.1054 0.1730 0.0084 136 ILE O C +20355 O O . ILE M 134 ? 1.0575 0.8986 0.8724 -0.1058 0.1768 0.0066 136 ILE O O +20356 C CB . ILE M 134 ? 1.3628 1.1895 1.1603 -0.0960 0.1645 0.0097 136 ILE O CB +20357 C CG1 . ILE M 134 ? 1.0793 0.8946 0.8632 -0.0923 0.1609 0.0117 136 ILE O CG1 +20358 C CG2 . ILE M 134 ? 1.0061 0.8423 0.8157 -0.0955 0.1591 0.0085 136 ILE O CG2 +20359 C CD1 . ILE M 134 ? 1.1469 0.9644 0.9304 -0.0873 0.1574 0.0110 136 ILE O CD1 +20360 N N . THR M 135 ? 0.9381 0.7726 0.7510 -0.1084 0.1716 0.0087 137 THR O N +20361 C CA . THR M 135 ? 1.1558 1.0005 0.9815 -0.1126 0.1740 0.0068 137 THR O CA +20362 C C . THR M 135 ? 1.2788 1.1290 1.1128 -0.1123 0.1679 0.0063 137 THR O C +20363 O O . THR M 135 ? 1.1186 0.9636 0.9477 -0.1094 0.1624 0.0076 137 THR O O +20364 C CB . THR M 135 ? 1.2980 1.1377 1.1203 -0.1182 0.1803 0.0074 137 THR O CB +20365 O OG1 . THR M 135 ? 1.1640 0.9937 0.9782 -0.1192 0.1779 0.0095 137 THR O OG1 +20366 C CG2 . THR M 135 ? 1.0792 0.9127 0.8925 -0.1187 0.1867 0.0080 137 THR O CG2 +20367 N N . THR M 136 ? 1.0743 0.9347 0.9209 -0.1156 0.1692 0.0044 138 THR O N +20368 C CA . THR M 136 ? 1.1812 1.0479 1.0368 -0.1156 0.1639 0.0036 138 THR O CA +20369 C C . THR M 136 ? 1.1039 0.9620 0.9533 -0.1176 0.1621 0.0054 138 THR O C +20370 O O . THR M 136 ? 1.3392 1.2013 1.1951 -0.1185 0.1584 0.0049 138 THR O O +20371 C CB . THR M 136 ? 1.2457 1.1254 1.1159 -0.1189 0.1661 0.0010 138 THR O CB +20372 O OG1 . THR M 136 ? 1.3396 1.2169 1.2088 -0.1244 0.1724 0.0010 138 THR O OG1 +20373 C CG2 . THR M 136 ? 1.3657 1.2546 1.2429 -0.1163 0.1671 -0.0009 138 THR O CG2 +20374 N N . SER M 137 ? 1.2917 1.1373 1.1278 -0.1183 0.1647 0.0076 139 SER O N +20375 C CA . SER M 137 ? 1.2164 1.0522 1.0447 -0.1193 0.1626 0.0096 139 SER O CA +20376 C C . SER M 137 ? 1.1457 0.9709 0.9611 -0.1149 0.1593 0.0118 139 SER O C +20377 O O . SER M 137 ? 1.2338 1.0495 1.0409 -0.1151 0.1576 0.0137 139 SER O O +20378 C CB . SER M 137 ? 1.3564 1.1863 1.1805 -0.1249 0.1688 0.0102 139 SER O CB +20379 O OG . SER M 137 ? 1.5631 1.3900 1.3818 -0.1258 0.1749 0.0104 139 SER O OG +20380 N N . THR M 138 ? 1.1414 0.9680 0.9550 -0.1108 0.1583 0.0115 140 THR O N +20381 C CA . THR M 138 ? 1.2250 1.0437 1.0287 -0.1060 0.1538 0.0132 140 THR O CA +20382 C C . THR M 138 ? 1.4035 1.2258 1.2122 -0.1034 0.1465 0.0131 140 THR O C +20383 O O . THR M 138 ? 1.0668 0.8999 0.8877 -0.1036 0.1444 0.0113 140 THR O O +20384 C CB . THR M 138 ? 1.1256 0.9458 0.9272 -0.1025 0.1546 0.0127 140 THR O CB +20385 O OG1 . THR M 138 ? 1.1142 0.9341 0.9142 -0.1052 0.1617 0.0122 140 THR O OG1 +20386 C CG2 . THR M 138 ? 1.3432 1.1530 1.1319 -0.0983 0.1514 0.0146 140 THR O CG2 +20387 N N . ASP M 139 ? 1.1315 0.9447 0.9308 -0.1010 0.1427 0.0151 141 ASP O N +20388 C CA . ASP M 139 ? 1.0664 0.8818 0.8690 -0.0982 0.1359 0.0152 141 ASP O CA +20389 C C . ASP M 139 ? 1.1465 0.9546 0.9391 -0.0934 0.1321 0.0166 141 ASP O C +20390 O O . ASP M 139 ? 1.1448 0.9424 0.9254 -0.0931 0.1342 0.0183 141 ASP O O +20391 C CB . ASP M 139 ? 1.1803 0.9924 0.9828 -0.1007 0.1344 0.0160 141 ASP O CB +20392 C CG . ASP M 139 ? 1.4440 1.2640 1.2573 -0.1054 0.1372 0.0144 141 ASP O CG +20393 O OD1 . ASP M 139 ? 1.5175 1.3325 1.3283 -0.1090 0.1391 0.0151 141 ASP O OD1 +20394 O OD2 . ASP M 139 ? 1.1786 1.0097 1.0028 -0.1055 0.1375 0.0124 141 ASP O OD2 +20395 N N . PHE M 140 ? 1.0977 0.9112 0.8951 -0.0897 0.1266 0.0160 142 PHE O N +20396 C CA . PHE M 140 ? 0.9835 0.7908 0.7726 -0.0852 0.1221 0.0172 142 PHE O CA +20397 C C . PHE M 140 ? 1.0006 0.8072 0.7910 -0.0841 0.1165 0.0180 142 PHE O C +20398 O O . PHE M 140 ? 1.0556 0.8705 0.8564 -0.0848 0.1143 0.0168 142 PHE O O +20399 C CB . PHE M 140 ? 1.0006 0.8139 0.7934 -0.0816 0.1201 0.0160 142 PHE O CB +20400 C CG . PHE M 140 ? 0.9281 0.7403 0.7171 -0.0816 0.1249 0.0156 142 PHE O CG +20401 C CD1 . PHE M 140 ? 0.9580 0.7784 0.7556 -0.0839 0.1291 0.0138 142 PHE O CD1 +20402 C CD2 . PHE M 140 ? 0.9506 0.7538 0.7277 -0.0790 0.1249 0.0168 142 PHE O CD2 +20403 C CE1 . PHE M 140 ? 1.0134 0.8329 0.8075 -0.0836 0.1335 0.0134 142 PHE O CE1 +20404 C CE2 . PHE M 140 ? 0.9848 0.7869 0.7581 -0.0787 0.1292 0.0164 142 PHE O CE2 +20405 C CZ . PHE M 140 ? 0.9539 0.7641 0.7357 -0.0811 0.1337 0.0147 142 PHE O CZ +20406 N N . LYS M 141 ? 0.9901 0.7869 0.7697 -0.0821 0.1143 0.0198 143 LYS O N +20407 C CA . LYS M 141 ? 0.9712 0.7663 0.7506 -0.0804 0.1089 0.0206 143 LYS O CA +20408 C C . LYS M 141 ? 0.9652 0.7552 0.7367 -0.0757 0.1048 0.0216 143 LYS O C +20409 O O . LYS M 141 ? 0.9295 0.7117 0.6908 -0.0747 0.1067 0.0226 143 LYS O O +20410 C CB . LYS M 141 ? 1.0728 0.8603 0.8469 -0.0833 0.1104 0.0220 143 LYS O CB +20411 C CG . LYS M 141 ? 1.3857 1.1799 1.1699 -0.0871 0.1113 0.0210 143 LYS O CG +20412 C CD . LYS M 141 ? 1.6046 1.3915 1.3840 -0.0887 0.1105 0.0223 143 LYS O CD +20413 C CE . LYS M 141 ? 1.7859 1.5802 1.5757 -0.0899 0.1074 0.0213 143 LYS O CE +20414 N NZ . LYS M 141 ? 1.5899 1.3928 1.3903 -0.0940 0.1108 0.0195 143 LYS O NZ +20415 N N . GLY M 142 ? 0.9679 0.7624 0.7443 -0.0729 0.0991 0.0212 144 GLY O N +20416 C CA . GLY M 142 ? 0.9778 0.7686 0.7478 -0.0686 0.0951 0.0219 144 GLY O CA +20417 C C . GLY M 142 ? 0.8893 0.6832 0.6633 -0.0660 0.0888 0.0219 144 GLY O C +20418 O O . GLY M 142 ? 0.9266 0.7259 0.7086 -0.0674 0.0873 0.0213 144 GLY O O +20419 N N . GLU M 143 ? 0.9269 0.7173 0.6950 -0.0621 0.0852 0.0224 145 GLU O N +20420 C CA . GLU M 143 ? 1.0199 0.8127 0.7906 -0.0592 0.0792 0.0224 145 GLU O CA +20421 C C . GLU M 143 ? 0.8684 0.6662 0.6422 -0.0563 0.0767 0.0213 145 GLU O C +20422 O O . GLU M 143 ? 0.8730 0.6693 0.6431 -0.0557 0.0791 0.0210 145 GLU O O +20423 C CB . GLU M 143 ? 0.9587 0.7421 0.7191 -0.0570 0.0765 0.0242 145 GLU O CB +20424 C CG . GLU M 143 ? 1.2978 1.0764 1.0558 -0.0591 0.0772 0.0253 145 GLU O CG +20425 C CD . GLU M 143 ? 1.4316 1.2013 1.1794 -0.0563 0.0742 0.0269 145 GLU O CD +20426 O OE1 . GLU M 143 ? 1.4190 1.1848 1.1599 -0.0534 0.0729 0.0272 145 GLU O OE1 +20427 O OE2 . GLU M 143 ? 1.6692 1.4357 1.4157 -0.0569 0.0730 0.0278 145 GLU O OE2 +20428 N N . PHE M 144 ? 0.9143 0.7175 0.6943 -0.0545 0.0719 0.0208 146 PHE O N +20429 C CA . PHE M 144 ? 0.8690 0.6769 0.6521 -0.0517 0.0690 0.0197 146 PHE O CA +20430 C C . PHE M 144 ? 0.9322 0.7409 0.7164 -0.0491 0.0631 0.0201 146 PHE O C +20431 O O . PHE M 144 ? 0.9157 0.7225 0.6995 -0.0495 0.0615 0.0209 146 PHE O O +20432 C CB . PHE M 144 ? 0.7576 0.5751 0.5514 -0.0531 0.0706 0.0180 146 PHE O CB +20433 C CG . PHE M 144 ? 0.9002 0.7240 0.7034 -0.0551 0.0700 0.0175 146 PHE O CG +20434 C CD1 . PHE M 144 ? 0.8897 0.7143 0.6955 -0.0588 0.0741 0.0174 146 PHE O CD1 +20435 C CD2 . PHE M 144 ? 0.8785 0.7076 0.6880 -0.0536 0.0653 0.0171 146 PHE O CD2 +20436 C CE1 . PHE M 144 ? 0.8625 0.6930 0.6769 -0.0607 0.0733 0.0169 146 PHE O CE1 +20437 C CE2 . PHE M 144 ? 0.7475 0.5823 0.5655 -0.0554 0.0645 0.0166 146 PHE O CE2 +20438 C CZ . PHE M 144 ? 0.9308 0.7663 0.7512 -0.0589 0.0685 0.0165 146 PHE O CZ +20439 N N . ASN M 145 ? 0.8843 0.6956 0.6696 -0.0463 0.0600 0.0194 147 ASN O N +20440 C CA . ASN M 145 ? 0.8951 0.7080 0.6820 -0.0438 0.0545 0.0195 147 ASN O CA +20441 C C . ASN M 145 ? 0.8153 0.6377 0.6137 -0.0442 0.0526 0.0183 147 ASN O C +20442 O O . ASN M 145 ? 0.7792 0.6072 0.5835 -0.0450 0.0545 0.0170 147 ASN O O +20443 C CB . ASN M 145 ? 0.9759 0.7863 0.7574 -0.0406 0.0520 0.0193 147 ASN O CB +20444 C CG . ASN M 145 ? 1.0262 0.8268 0.7957 -0.0395 0.0527 0.0206 147 ASN O CG +20445 O OD1 . ASN M 145 ? 0.9603 0.7558 0.7254 -0.0404 0.0534 0.0218 147 ASN O OD1 +20446 N ND2 . ASN M 145 ? 1.0853 0.8830 0.8492 -0.0376 0.0524 0.0203 147 ASN O ND2 +20447 N N . VAL M 146 ? 0.7690 0.5931 0.5705 -0.0434 0.0488 0.0186 148 VAL O N +20448 C CA . VAL M 146 ? 0.7951 0.6275 0.6066 -0.0433 0.0463 0.0176 148 VAL O CA +20449 C C . VAL M 146 ? 0.7638 0.5962 0.5744 -0.0403 0.0412 0.0177 148 VAL O C +20450 O O . VAL M 146 ? 0.7830 0.6133 0.5920 -0.0396 0.0387 0.0186 148 VAL O O +20451 C CB . VAL M 146 ? 0.8664 0.7017 0.6836 -0.0456 0.0468 0.0177 148 VAL O CB +20452 C CG1 . VAL M 146 ? 0.7217 0.5658 0.5493 -0.0454 0.0443 0.0166 148 VAL O CG1 +20453 C CG2 . VAL M 146 ? 0.7406 0.5750 0.5578 -0.0488 0.0519 0.0177 148 VAL O CG2 +20454 N N . PRO M 147 ? 0.7708 0.6054 0.5822 -0.0385 0.0398 0.0169 149 PRO O N +20455 C CA . PRO M 147 ? 0.8241 0.6594 0.6355 -0.0359 0.0350 0.0168 149 PRO O CA +20456 C C . PRO M 147 ? 0.7977 0.6401 0.6184 -0.0361 0.0325 0.0163 149 PRO O C +20457 O O . PRO M 147 ? 0.7770 0.6243 0.6045 -0.0380 0.0343 0.0158 149 PRO O O +20458 C CB . PRO M 147 ? 0.7934 0.6290 0.6031 -0.0344 0.0349 0.0159 149 PRO O CB +20459 C CG . PRO M 147 ? 0.8411 0.6800 0.6547 -0.0363 0.0391 0.0150 149 PRO O CG +20460 C CD . PRO M 147 ? 0.7537 0.5906 0.5666 -0.0388 0.0426 0.0158 149 PRO O CD +20461 N N . SER M 148 ? 0.7734 0.6163 0.5944 -0.0341 0.0283 0.0164 150 SER O N +20462 C CA . SER M 148 ? 0.7370 0.5862 0.5661 -0.0341 0.0256 0.0160 150 SER O CA +20463 C C . SER M 148 ? 0.6975 0.5531 0.5340 -0.0348 0.0267 0.0147 150 SER O C +20464 O O . SER M 148 ? 0.6905 0.5462 0.5259 -0.0342 0.0278 0.0140 150 SER O O +20465 C CB . SER M 148 ? 0.8062 0.6551 0.6340 -0.0316 0.0212 0.0161 150 SER O CB +20466 O OG . SER M 148 ? 0.8251 0.6800 0.6606 -0.0316 0.0188 0.0156 150 SER O OG +20467 N N . TYR M 149 ? 0.6907 0.5516 0.5346 -0.0361 0.0265 0.0144 151 TYR O N +20468 C CA . TYR M 149 ? 0.6990 0.5662 0.5503 -0.0367 0.0275 0.0132 151 TYR O CA +20469 C C . TYR M 149 ? 0.7882 0.6580 0.6415 -0.0347 0.0247 0.0125 151 TYR O C +20470 O O . TYR M 149 ? 0.6687 0.5409 0.5241 -0.0345 0.0260 0.0115 151 TYR O O +20471 C CB . TYR M 149 ? 0.7016 0.5734 0.5599 -0.0382 0.0272 0.0132 151 TYR O CB +20472 C CG . TYR M 149 ? 0.7206 0.5994 0.5872 -0.0387 0.0275 0.0120 151 TYR O CG +20473 C CD1 . TYR M 149 ? 0.6105 0.4918 0.4800 -0.0404 0.0310 0.0113 151 TYR O CD1 +20474 C CD2 . TYR M 149 ? 0.6503 0.5334 0.5221 -0.0376 0.0243 0.0117 151 TYR O CD2 +20475 C CE1 . TYR M 149 ? 0.6573 0.5451 0.5345 -0.0407 0.0312 0.0102 151 TYR O CE1 +20476 C CE2 . TYR M 149 ? 0.6753 0.5644 0.5544 -0.0380 0.0244 0.0107 151 TYR O CE2 +20477 C CZ . TYR M 149 ? 0.6994 0.5910 0.5812 -0.0394 0.0278 0.0099 151 TYR O CZ +20478 O OH . TYR M 149 ? 0.6789 0.5766 0.5680 -0.0396 0.0277 0.0089 151 TYR O OH +20479 N N A ARG M 150 ? 0.7282 0.5974 0.5807 -0.0332 0.0210 0.0129 152 ARG O N +20480 N N B ARG M 150 ? 0.7289 0.5982 0.5816 -0.0332 0.0210 0.0128 152 ARG O N +20481 C CA A ARG M 150 ? 0.7698 0.6403 0.6229 -0.0314 0.0183 0.0122 152 ARG O CA +20482 C CA B ARG M 150 ? 0.7705 0.6409 0.6235 -0.0314 0.0184 0.0122 152 ARG O CA +20483 C C A ARG M 150 ? 0.8110 0.6756 0.6559 -0.0299 0.0175 0.0126 152 ARG O C +20484 C C B ARG M 150 ? 0.8132 0.6776 0.6579 -0.0300 0.0176 0.0126 152 ARG O C +20485 O O A ARG M 150 ? 0.7530 0.6133 0.5929 -0.0298 0.0172 0.0136 152 ARG O O +20486 O O B ARG M 150 ? 0.7569 0.6169 0.5964 -0.0299 0.0176 0.0136 152 ARG O O +20487 C CB A ARG M 150 ? 0.7169 0.5908 0.5747 -0.0308 0.0147 0.0123 152 ARG O CB +20488 C CB B ARG M 150 ? 0.7183 0.5923 0.5761 -0.0307 0.0148 0.0123 152 ARG O CB +20489 C CG A ARG M 150 ? 0.6365 0.5155 0.5017 -0.0321 0.0151 0.0122 152 ARG O CG +20490 C CG B ARG M 150 ? 0.6350 0.5141 0.5001 -0.0321 0.0151 0.0122 152 ARG O CG +20491 C CD A ARG M 150 ? 0.6501 0.5340 0.5211 -0.0326 0.0165 0.0111 152 ARG O CD +20492 C CD B ARG M 150 ? 0.6487 0.5325 0.5195 -0.0326 0.0167 0.0111 152 ARG O CD +20493 N NE A ARG M 150 ? 0.6757 0.5647 0.5537 -0.0332 0.0154 0.0109 152 ARG O NE +20494 N NE B ARG M 150 ? 0.6781 0.5670 0.5560 -0.0333 0.0156 0.0109 152 ARG O NE +20495 C CZ A ARG M 150 ? 0.7035 0.5973 0.5874 -0.0335 0.0160 0.0101 152 ARG O CZ +20496 C CZ B ARG M 150 ? 0.7059 0.5996 0.5896 -0.0335 0.0162 0.0100 152 ARG O CZ +20497 N NH1 A ARG M 150 ? 0.6137 0.5083 0.4979 -0.0333 0.0179 0.0092 152 ARG O NH1 +20498 N NH1 B ARG M 150 ? 0.6121 0.5066 0.4961 -0.0332 0.0180 0.0091 152 ARG O NH1 +20499 N NH2 A ARG M 150 ? 0.6013 0.4991 0.4908 -0.0339 0.0147 0.0100 152 ARG O NH2 +20500 N NH2 B ARG M 150 ? 0.6011 0.4989 0.4906 -0.0339 0.0149 0.0100 152 ARG O NH2 +20501 N N . THR M 151 ? 0.7324 0.5965 0.5756 -0.0287 0.0169 0.0118 153 THR O N +20502 C CA . THR M 151 ? 0.7515 0.6101 0.5868 -0.0272 0.0158 0.0120 153 THR O CA +20503 C C . THR M 151 ? 0.7107 0.5701 0.5466 -0.0257 0.0114 0.0120 153 THR O C +20504 O O . THR M 151 ? 0.7320 0.5959 0.5741 -0.0259 0.0095 0.0119 153 THR O O +20505 C CB . THR M 151 ? 0.7783 0.6348 0.6099 -0.0268 0.0178 0.0112 153 THR O CB +20506 O OG1 . THR M 151 ? 0.6987 0.5586 0.5341 -0.0259 0.0162 0.0101 153 THR O OG1 +20507 C CG2 . THR M 151 ? 0.6747 0.5314 0.5069 -0.0285 0.0225 0.0112 153 THR O CG2 +20508 N N . ALA M 152 ? 0.7005 0.5555 0.5298 -0.0241 0.0097 0.0121 154 ALA O N +20509 C CA . ALA M 152 ? 0.6945 0.5494 0.5233 -0.0228 0.0056 0.0123 154 ALA O CA +20510 C C . ALA M 152 ? 0.7405 0.6004 0.5754 -0.0224 0.0030 0.0114 154 ALA O C +20511 O O . ALA M 152 ? 0.7149 0.5766 0.5521 -0.0218 0.0000 0.0116 154 ALA O O +20512 C CB . ALA M 152 ? 0.6847 0.5339 0.5050 -0.0212 0.0044 0.0124 154 ALA O CB +20513 N N A ASN M 153 ? 0.6618 0.5238 0.4994 -0.0227 0.0040 0.0104 155 ASN O N +20514 N N B ASN M 153 ? 0.6615 0.5236 0.4991 -0.0227 0.0040 0.0104 155 ASN O N +20515 C CA A ASN M 153 ? 0.6372 0.5033 0.4801 -0.0223 0.0017 0.0095 155 ASN O CA +20516 C CA B ASN M 153 ? 0.6356 0.5018 0.4785 -0.0223 0.0018 0.0095 155 ASN O CA +20517 C C A ASN M 153 ? 0.6972 0.5687 0.5479 -0.0234 0.0016 0.0096 155 ASN O C +20518 C C B ASN M 153 ? 0.6972 0.5688 0.5480 -0.0234 0.0018 0.0096 155 ASN O C +20519 O O A ASN M 153 ? 0.7218 0.5966 0.5769 -0.0231 -0.0006 0.0091 155 ASN O O +20520 O O B ASN M 153 ? 0.7224 0.5972 0.5776 -0.0232 -0.0003 0.0090 155 ASN O O +20521 C CB A ASN M 153 ? 0.6530 0.5192 0.4956 -0.0221 0.0028 0.0083 155 ASN O CB +20522 C CB B ASN M 153 ? 0.6522 0.5182 0.4945 -0.0221 0.0030 0.0083 155 ASN O CB +20523 C CG A ASN M 153 ? 0.7705 0.6322 0.6062 -0.0207 0.0015 0.0078 155 ASN O CG +20524 C CG B ASN M 153 ? 0.7726 0.6343 0.6083 -0.0207 0.0016 0.0078 155 ASN O CG +20525 O OD1 A ASN M 153 ? 0.7910 0.6496 0.6221 -0.0199 -0.0003 0.0083 155 ASN O OD1 +20526 O OD1 B ASN M 153 ? 0.7942 0.6531 0.6257 -0.0199 -0.0005 0.0082 155 ASN O OD1 +20527 N ND2 A ASN M 153 ? 0.7530 0.6142 0.5879 -0.0204 0.0024 0.0067 155 ASN O ND2 +20528 N ND2 B ASN M 153 ? 0.7539 0.6148 0.5884 -0.0204 0.0027 0.0067 155 ASN O ND2 +20529 N N A PHE M 154 ? 0.7083 0.5807 0.5609 -0.0246 0.0040 0.0103 156 PHE O N +20530 N N B PHE M 154 ? 0.7091 0.5814 0.5616 -0.0246 0.0040 0.0103 156 PHE O N +20531 C CA A PHE M 154 ? 0.6881 0.5655 0.5480 -0.0256 0.0042 0.0103 156 PHE O CA +20532 C CA B PHE M 154 ? 0.6876 0.5650 0.5475 -0.0256 0.0042 0.0103 156 PHE O CA +20533 C C A PHE M 154 ? 0.7260 0.6056 0.5890 -0.0253 0.0010 0.0107 156 PHE O C +20534 C C B PHE M 154 ? 0.7282 0.6077 0.5910 -0.0252 0.0010 0.0107 156 PHE O C +20535 O O A PHE M 154 ? 0.6905 0.5679 0.5505 -0.0249 -0.0003 0.0115 156 PHE O O +20536 O O B PHE M 154 ? 0.6942 0.5714 0.5539 -0.0247 -0.0004 0.0114 156 PHE O O +20537 C CB A PHE M 154 ? 0.6414 0.5189 0.5020 -0.0271 0.0073 0.0109 156 PHE O CB +20538 C CB B PHE M 154 ? 0.6397 0.5171 0.5002 -0.0270 0.0072 0.0109 156 PHE O CB +20539 C CG A PHE M 154 ? 0.6879 0.5706 0.5559 -0.0281 0.0077 0.0107 156 PHE O CG +20540 C CG B PHE M 154 ? 0.6885 0.5711 0.5564 -0.0281 0.0077 0.0107 156 PHE O CG +20541 C CD1 A PHE M 154 ? 0.7407 0.6266 0.6129 -0.0286 0.0094 0.0099 156 PHE O CD1 +20542 C CD1 B PHE M 154 ? 0.7429 0.6286 0.6148 -0.0286 0.0095 0.0099 156 PHE O CD1 +20543 C CD2 A PHE M 154 ? 0.6881 0.5723 0.5588 -0.0285 0.0062 0.0114 156 PHE O CD2 +20544 C CD2 B PHE M 154 ? 0.6879 0.5721 0.5586 -0.0285 0.0062 0.0114 156 PHE O CD2 +20545 C CE1 A PHE M 154 ? 0.6629 0.5536 0.5417 -0.0294 0.0095 0.0097 156 PHE O CE1 +20546 C CE1 B PHE M 154 ? 0.6634 0.5539 0.5420 -0.0294 0.0096 0.0097 156 PHE O CE1 +20547 C CE2 A PHE M 154 ? 0.6919 0.5808 0.5692 -0.0295 0.0065 0.0113 156 PHE O CE2 +20548 C CE2 B PHE M 154 ? 0.6923 0.5812 0.5695 -0.0294 0.0065 0.0113 156 PHE O CE2 +20549 C CZ A PHE M 154 ? 0.6900 0.5821 0.5713 -0.0299 0.0081 0.0104 156 PHE O CZ +20550 C CZ B PHE M 154 ? 0.6903 0.5823 0.5714 -0.0299 0.0081 0.0104 156 PHE O CZ +20551 N N A LEU M 155 ? 0.7142 0.5981 0.5831 -0.0254 -0.0002 0.0102 157 LEU O N +20552 N N B LEU M 155 ? 0.7163 0.6001 0.5850 -0.0254 -0.0002 0.0102 157 LEU O N +20553 C CA A LEU M 155 ? 0.6422 0.5285 0.5143 -0.0251 -0.0031 0.0105 157 LEU O CA +20554 C CA B LEU M 155 ? 0.6430 0.5293 0.5151 -0.0251 -0.0031 0.0104 157 LEU O CA +20555 C C A LEU M 155 ? 0.6582 0.5481 0.5357 -0.0262 -0.0024 0.0109 157 LEU O C +20556 C C B LEU M 155 ? 0.6578 0.5478 0.5354 -0.0261 -0.0023 0.0109 157 LEU O C +20557 O O A LEU M 155 ? 0.6612 0.5537 0.5425 -0.0268 -0.0007 0.0105 157 LEU O O +20558 O O B LEU M 155 ? 0.6603 0.5529 0.5417 -0.0268 -0.0008 0.0104 157 LEU O O +20559 C CB A LEU M 155 ? 0.5982 0.4863 0.4725 -0.0245 -0.0051 0.0096 157 LEU O CB +20560 C CB B LEU M 155 ? 0.5964 0.4845 0.4707 -0.0245 -0.0051 0.0096 157 LEU O CB +20561 C CG A LEU M 155 ? 0.6296 0.5144 0.4988 -0.0235 -0.0063 0.0091 157 LEU O CG +20562 C CG B LEU M 155 ? 0.6277 0.5126 0.4970 -0.0234 -0.0065 0.0090 157 LEU O CG +20563 C CD1 A LEU M 155 ? 0.6729 0.5594 0.5445 -0.0232 -0.0080 0.0081 157 LEU O CD1 +20564 C CD1 B LEU M 155 ? 0.6689 0.5558 0.5412 -0.0232 -0.0084 0.0081 157 LEU O CD1 +20565 C CD2 A LEU M 155 ? 0.6242 0.5066 0.4896 -0.0227 -0.0085 0.0096 157 LEU O CD2 +20566 C CD2 B LEU M 155 ? 0.6234 0.5059 0.4888 -0.0227 -0.0085 0.0096 157 LEU O CD2 +20567 N N A ASP M 156 ? 0.6376 0.5277 0.5155 -0.0262 -0.0037 0.0117 158 ASP O N +20568 N N B ASP M 156 ? 0.6384 0.5285 0.5164 -0.0262 -0.0036 0.0116 158 ASP O N +20569 C CA A ASP M 156 ? 0.6825 0.5758 0.5654 -0.0271 -0.0032 0.0121 158 ASP O CA +20570 C CA B ASP M 156 ? 0.6822 0.5755 0.5651 -0.0271 -0.0031 0.0120 158 ASP O CA +20571 C C A ASP M 156 ? 0.6891 0.5865 0.5773 -0.0270 -0.0050 0.0117 158 ASP O C +20572 C C B ASP M 156 ? 0.6923 0.5897 0.5805 -0.0270 -0.0049 0.0116 158 ASP O C +20573 O O A ASP M 156 ? 0.6217 0.5192 0.5097 -0.0263 -0.0065 0.0111 158 ASP O O +20574 O O B ASP M 156 ? 0.6189 0.5164 0.5070 -0.0262 -0.0065 0.0111 158 ASP O O +20575 C CB A ASP M 156 ? 0.6286 0.5201 0.5094 -0.0272 -0.0037 0.0130 158 ASP O CB +20576 C CB B ASP M 156 ? 0.6295 0.5210 0.5102 -0.0272 -0.0036 0.0130 158 ASP O CB +20577 C CG A ASP M 156 ? 0.6706 0.5629 0.5520 -0.0262 -0.0067 0.0133 158 ASP O CG +20578 C CG B ASP M 156 ? 0.6738 0.5662 0.5552 -0.0262 -0.0067 0.0133 158 ASP O CG +20579 O OD1 A ASP M 156 ? 0.6579 0.5525 0.5417 -0.0256 -0.0086 0.0128 158 ASP O OD1 +20580 O OD1 B ASP M 156 ? 0.6580 0.5526 0.5419 -0.0257 -0.0085 0.0128 158 ASP O OD1 +20581 O OD2 A ASP M 156 ? 0.6097 0.5004 0.4892 -0.0259 -0.0072 0.0141 158 ASP O OD2 +20582 O OD2 B ASP M 156 ? 0.6081 0.4987 0.4875 -0.0259 -0.0071 0.0140 158 ASP O OD2 +20583 N N A PRO M 157 ? 0.6114 0.5121 0.5045 -0.0277 -0.0047 0.0119 159 PRO O N +20584 N N B PRO M 157 ? 0.6122 0.5129 0.5053 -0.0277 -0.0047 0.0118 159 PRO O N +20585 C CA A PRO M 157 ? 0.6015 0.5057 0.4994 -0.0276 -0.0061 0.0115 159 PRO O CA +20586 C CA B PRO M 157 ? 0.5995 0.5038 0.4974 -0.0276 -0.0061 0.0114 159 PRO O CA +20587 C C A PRO M 157 ? 0.6392 0.5439 0.5374 -0.0269 -0.0088 0.0116 159 PRO O C +20588 C C B PRO M 157 ? 0.6405 0.5451 0.5387 -0.0269 -0.0088 0.0116 159 PRO O C +20589 O O A PRO M 157 ? 0.6285 0.5353 0.5298 -0.0268 -0.0099 0.0112 159 PRO O O +20590 O O B PRO M 157 ? 0.6299 0.5368 0.5313 -0.0268 -0.0100 0.0112 159 PRO O O +20591 C CB A PRO M 157 ? 0.6152 0.5222 0.5173 -0.0285 -0.0053 0.0118 159 PRO O CB +20592 C CB B PRO M 157 ? 0.6166 0.5237 0.5187 -0.0285 -0.0052 0.0117 159 PRO O CB +20593 C CG A PRO M 157 ? 0.5915 0.4969 0.4915 -0.0293 -0.0027 0.0119 159 PRO O CG +20594 C CG B PRO M 157 ? 0.5906 0.4960 0.4907 -0.0293 -0.0027 0.0118 159 PRO O CG +20595 C CD A PRO M 157 ? 0.6071 0.5083 0.5014 -0.0288 -0.0029 0.0123 159 PRO O CD +20596 C CD B PRO M 157 ? 0.6074 0.5086 0.5017 -0.0288 -0.0029 0.0122 159 PRO O CD +20597 N N . LYS M 158 ? 0.6132 0.5158 0.5082 -0.0264 -0.0100 0.0121 160 LYS O N +20598 C CA . LYS M 158 ? 0.6073 0.5106 0.5026 -0.0257 -0.0126 0.0122 160 LYS O CA +20599 C C . LYS M 158 ? 0.6281 0.5288 0.5194 -0.0249 -0.0136 0.0117 160 LYS O C +20600 O O . LYS M 158 ? 0.7145 0.6155 0.6054 -0.0242 -0.0159 0.0116 160 LYS O O +20601 C CB . LYS M 158 ? 0.5582 0.4614 0.4532 -0.0254 -0.0135 0.0130 160 LYS O CB +20602 C CG . LYS M 158 ? 0.6605 0.5668 0.5601 -0.0261 -0.0132 0.0133 160 LYS O CG +20603 C CD . LYS M 158 ? 0.6682 0.5778 0.5724 -0.0263 -0.0141 0.0129 160 LYS O CD +20604 C CE . LYS M 158 ? 0.5989 0.5092 0.5033 -0.0257 -0.0165 0.0127 160 LYS O CE +20605 N NZ . LYS M 158 ? 0.6228 0.5360 0.5314 -0.0261 -0.0172 0.0125 160 LYS O NZ +20606 N N . GLY M 159 ? 0.6270 0.5255 0.5154 -0.0249 -0.0121 0.0112 161 GLY O N +20607 C CA . GLY M 159 ? 0.6342 0.5300 0.5185 -0.0241 -0.0130 0.0106 161 GLY O CA +20608 C C . GLY M 159 ? 0.7258 0.6180 0.6044 -0.0233 -0.0133 0.0110 161 GLY O C +20609 O O . GLY M 159 ? 0.6360 0.5260 0.5110 -0.0225 -0.0147 0.0105 161 GLY O O +20610 N N . ARG M 160 ? 0.6724 0.5633 0.5497 -0.0235 -0.0123 0.0119 162 ARG O N +20611 C CA . ARG M 160 ? 0.6522 0.5391 0.5236 -0.0226 -0.0125 0.0124 162 ARG O CA +20612 C C . ARG M 160 ? 0.6365 0.5198 0.5034 -0.0229 -0.0099 0.0124 162 ARG O C +20613 O O . ARG M 160 ? 0.7678 0.6520 0.6367 -0.0240 -0.0074 0.0124 162 ARG O O +20614 C CB . ARG M 160 ? 0.6757 0.5629 0.5478 -0.0226 -0.0127 0.0133 162 ARG O CB +20615 C CG . ARG M 160 ? 0.6899 0.5808 0.5665 -0.0223 -0.0151 0.0134 162 ARG O CG +20616 C CD . ARG M 160 ? 0.7242 0.6152 0.6014 -0.0224 -0.0149 0.0142 162 ARG O CD +20617 N NE . ARG M 160 ? 0.6421 0.5344 0.5223 -0.0238 -0.0126 0.0145 162 ARG O NE +20618 C CZ . ARG M 160 ? 0.7077 0.6013 0.5903 -0.0242 -0.0123 0.0150 162 ARG O CZ +20619 N NH1 . ARG M 160 ? 0.6161 0.5096 0.4982 -0.0233 -0.0139 0.0155 162 ARG O NH1 +20620 N NH2 . ARG M 160 ? 0.6894 0.5846 0.5750 -0.0256 -0.0103 0.0150 162 ARG O NH2 +20621 N N . GLY M 161 ? 0.6338 0.5130 0.4946 -0.0218 -0.0104 0.0124 163 GLY O N +20622 C CA . GLY M 161 ? 0.6229 0.4981 0.4787 -0.0221 -0.0078 0.0125 163 GLY O CA +20623 C C . GLY M 161 ? 0.7018 0.5720 0.5502 -0.0208 -0.0087 0.0129 163 GLY O C +20624 O O . GLY M 161 ? 0.6767 0.5467 0.5242 -0.0196 -0.0114 0.0131 163 GLY O O +20625 N N . LEU M 162 ? 0.7597 0.6258 0.6029 -0.0208 -0.0064 0.0130 164 LEU O N +20626 C CA . LEU M 162 ? 0.7212 0.5817 0.5565 -0.0196 -0.0068 0.0135 164 LEU O CA +20627 C C . LEU M 162 ? 0.7721 0.6309 0.6037 -0.0183 -0.0087 0.0126 164 LEU O C +20628 O O . LEU M 162 ? 0.6911 0.5493 0.5209 -0.0168 -0.0118 0.0125 164 LEU O O +20629 C CB . LEU M 162 ? 0.7599 0.6165 0.5910 -0.0205 -0.0031 0.0141 164 LEU O CB +20630 C CG . LEU M 162 ? 0.8743 0.7243 0.6965 -0.0194 -0.0028 0.0147 164 LEU O CG +20631 C CD1 . LEU M 162 ? 0.7024 0.5510 0.5224 -0.0178 -0.0059 0.0153 164 LEU O CD1 +20632 C CD2 . LEU M 162 ? 0.7343 0.5812 0.5538 -0.0208 0.0012 0.0155 164 LEU O CD2 +20633 N N . ALA M 163 ? 0.6337 0.4917 0.4642 -0.0187 -0.0069 0.0118 165 ALA O N +20634 C CA . ALA M 163 ? 0.7181 0.5743 0.5450 -0.0175 -0.0086 0.0109 165 ALA O CA +20635 C C . ALA M 163 ? 0.8060 0.6668 0.6387 -0.0176 -0.0109 0.0098 165 ALA O C +20636 O O . ALA M 163 ? 0.6913 0.5511 0.5217 -0.0168 -0.0128 0.0089 165 ALA O O +20637 C CB . ALA M 163 ? 0.6659 0.5187 0.4883 -0.0178 -0.0056 0.0105 165 ALA O CB +20638 N N . SER M 164 ? 0.7067 0.5723 0.5465 -0.0187 -0.0106 0.0099 166 SER O N +20639 C CA . SER M 164 ? 0.7078 0.5776 0.5531 -0.0189 -0.0127 0.0091 166 SER O CA +20640 C C . SER M 164 ? 0.7633 0.6373 0.6148 -0.0196 -0.0134 0.0097 166 SER O C +20641 O O . SER M 164 ? 0.7806 0.6543 0.6322 -0.0200 -0.0119 0.0107 166 SER O O +20642 C CB . SER M 164 ? 0.6632 0.5339 0.5104 -0.0196 -0.0109 0.0082 166 SER O CB +20643 O OG . SER M 164 ? 0.8773 0.7513 0.7290 -0.0197 -0.0129 0.0074 166 SER O OG +20644 N N . GLY M 165 ? 0.7162 0.5939 0.5726 -0.0198 -0.0156 0.0091 167 GLY O N +20645 C CA . GLY M 165 ? 0.6378 0.5198 0.5003 -0.0205 -0.0160 0.0096 167 GLY O CA +20646 C C . GLY M 165 ? 0.6769 0.5598 0.5398 -0.0197 -0.0189 0.0099 167 GLY O C +20647 O O . GLY M 165 ? 0.6539 0.5344 0.5124 -0.0185 -0.0206 0.0098 167 GLY O O +20648 N N . TYR M 166 ? 0.6429 0.5297 0.5114 -0.0203 -0.0193 0.0103 168 TYR O N +20649 C CA . TYR M 166 ? 0.6689 0.5572 0.5385 -0.0196 -0.0217 0.0107 168 TYR O CA +20650 C C . TYR M 166 ? 0.7048 0.5903 0.5705 -0.0188 -0.0211 0.0116 168 TYR O C +20651 O O . TYR M 166 ? 0.7203 0.6037 0.5843 -0.0194 -0.0185 0.0122 168 TYR O O +20652 C CB . TYR M 166 ? 0.6418 0.5348 0.5182 -0.0204 -0.0220 0.0109 168 TYR O CB +20653 C CG . TYR M 166 ? 0.6336 0.5294 0.5142 -0.0213 -0.0222 0.0101 168 TYR O CG +20654 C CD1 . TYR M 166 ? 0.6534 0.5499 0.5343 -0.0211 -0.0244 0.0092 168 TYR O CD1 +20655 C CD2 . TYR M 166 ? 0.6496 0.5473 0.5341 -0.0224 -0.0203 0.0103 168 TYR O CD2 +20656 C CE1 . TYR M 166 ? 0.6531 0.5517 0.5377 -0.0220 -0.0246 0.0085 168 TYR O CE1 +20657 C CE2 . TYR M 166 ? 0.6357 0.5356 0.5239 -0.0231 -0.0206 0.0096 168 TYR O CE2 +20658 C CZ . TYR M 166 ? 0.6382 0.5384 0.5263 -0.0229 -0.0226 0.0088 168 TYR O CZ +20659 O OH . TYR M 166 ? 0.7178 0.6196 0.6090 -0.0236 -0.0229 0.0081 168 TYR O OH +20660 N N . ASP M 167 ? 0.6274 0.5127 0.4917 -0.0175 -0.0235 0.0118 169 ASP O N +20661 C CA . ASP M 167 ? 0.6405 0.5230 0.5011 -0.0166 -0.0231 0.0128 169 ASP O CA +20662 C C . ASP M 167 ? 0.7796 0.6651 0.6443 -0.0166 -0.0238 0.0134 169 ASP O C +20663 O O . ASP M 167 ? 0.7499 0.6333 0.6117 -0.0156 -0.0241 0.0141 169 ASP O O +20664 C CB . ASP M 167 ? 0.6539 0.5331 0.5087 -0.0148 -0.0253 0.0126 169 ASP O CB +20665 C CG . ASP M 167 ? 0.7841 0.6668 0.6417 -0.0138 -0.0287 0.0119 169 ASP O CG +20666 O OD1 . ASP M 167 ? 0.8657 0.7529 0.7294 -0.0147 -0.0293 0.0116 169 ASP O OD1 +20667 O OD2 . ASP M 167 ? 0.9820 0.8626 0.8355 -0.0121 -0.0308 0.0117 169 ASP O OD2 +20668 N N . SER M 168 ? 0.7317 0.6218 0.6027 -0.0176 -0.0240 0.0131 170 SER O N +20669 C CA . SER M 168 ? 0.7401 0.6329 0.6149 -0.0176 -0.0245 0.0136 170 SER O CA +20670 C C . SER M 168 ? 0.7625 0.6587 0.6429 -0.0193 -0.0230 0.0136 170 SER O C +20671 O O . SER M 168 ? 0.6726 0.5690 0.5540 -0.0202 -0.0219 0.0131 170 SER O O +20672 C CB . SER M 168 ? 0.6653 0.5608 0.5420 -0.0165 -0.0275 0.0132 170 SER O CB +20673 O OG . SER M 168 ? 0.8152 0.7139 0.6956 -0.0172 -0.0285 0.0123 170 SER O OG +20674 N N . ALA M 169 ? 0.6230 0.5215 0.5068 -0.0195 -0.0230 0.0141 171 ALA O N +20675 C CA . ALA M 169 ? 0.7619 0.6638 0.6511 -0.0208 -0.0220 0.0141 171 ALA O CA +20676 C C . ALA M 169 ? 0.6717 0.5774 0.5650 -0.0208 -0.0239 0.0136 171 ALA O C +20677 O O . ALA M 169 ? 0.6923 0.6003 0.5879 -0.0203 -0.0252 0.0137 171 ALA O O +20678 C CB . ALA M 169 ? 0.6176 0.5198 0.5079 -0.0210 -0.0210 0.0149 171 ALA O CB +20679 N N . ILE M 170 ? 0.6123 0.5186 0.5065 -0.0215 -0.0240 0.0128 172 ILE O N +20680 C CA . ILE M 170 ? 0.6867 0.5960 0.5841 -0.0216 -0.0259 0.0122 172 ILE O CA +20681 C C . ILE M 170 ? 0.7280 0.6408 0.6307 -0.0224 -0.0257 0.0124 172 ILE O C +20682 O O . ILE M 170 ? 0.7019 0.6175 0.6076 -0.0226 -0.0272 0.0120 172 ILE O O +20683 C CB . ILE M 170 ? 0.7055 0.6139 0.6020 -0.0220 -0.0261 0.0113 172 ILE O CB +20684 C CG1 . ILE M 170 ? 0.6115 0.5199 0.5096 -0.0231 -0.0240 0.0113 172 ILE O CG1 +20685 C CG2 . ILE M 170 ? 0.6266 0.5312 0.5173 -0.0210 -0.0265 0.0110 172 ILE O CG2 +20686 C CD1 . ILE M 170 ? 0.5874 0.4958 0.4861 -0.0236 -0.0244 0.0103 172 ILE O CD1 +20687 N N . ALA M 171 ? 0.5993 0.5123 0.5034 -0.0231 -0.0238 0.0129 173 ALA O N +20688 C CA . ALA M 171 ? 0.6104 0.5265 0.5191 -0.0238 -0.0236 0.0132 173 ALA O CA +20689 C C . ALA M 171 ? 0.6517 0.5693 0.5616 -0.0232 -0.0244 0.0137 173 ALA O C +20690 O O . ALA M 171 ? 0.6458 0.5661 0.5594 -0.0237 -0.0245 0.0139 173 ALA O O +20691 C CB . ALA M 171 ? 0.5794 0.4953 0.4892 -0.0247 -0.0215 0.0134 173 ALA O CB +20692 N N . LEU M 172 ? 0.6493 0.5651 0.5560 -0.0221 -0.0249 0.0140 174 LEU O N +20693 C CA . LEU M 172 ? 0.6518 0.5686 0.5591 -0.0213 -0.0256 0.0145 174 LEU O CA +20694 C C . LEU M 172 ? 0.7480 0.6649 0.6537 -0.0199 -0.0277 0.0141 174 LEU O C +20695 O O . LEU M 172 ? 0.6747 0.5891 0.5767 -0.0187 -0.0281 0.0144 174 LEU O O +20696 C CB . LEU M 172 ? 0.6109 0.5251 0.5157 -0.0210 -0.0242 0.0152 174 LEU O CB +20697 C CG . LEU M 172 ? 0.6543 0.5681 0.5601 -0.0223 -0.0221 0.0155 174 LEU O CG +20698 C CD1 . LEU M 172 ? 0.7655 0.6761 0.6680 -0.0222 -0.0208 0.0160 174 LEU O CD1 +20699 C CD2 . LEU M 172 ? 0.6502 0.5674 0.5606 -0.0229 -0.0220 0.0156 174 LEU O CD2 +20700 N N . PRO M 173 ? 0.7211 0.6407 0.6295 -0.0202 -0.0292 0.0135 175 PRO O N +20701 C CA . PRO M 173 ? 0.6816 0.6012 0.5882 -0.0191 -0.0313 0.0128 175 PRO O CA +20702 C C . PRO M 173 ? 0.7048 0.6248 0.6104 -0.0174 -0.0325 0.0131 175 PRO O C +20703 O O . PRO M 173 ? 0.7048 0.6233 0.6073 -0.0160 -0.0340 0.0128 175 PRO O O +20704 C CB . PRO M 173 ? 0.6499 0.5729 0.5606 -0.0201 -0.0323 0.0121 175 PRO O CB +20705 C CG . PRO M 173 ? 0.6846 0.6098 0.5993 -0.0213 -0.0310 0.0125 175 PRO O CG +20706 C CD . PRO M 173 ? 0.6362 0.5588 0.5491 -0.0215 -0.0290 0.0132 175 PRO O CD +20707 N N . GLN M 174 ? 0.6055 0.5272 0.5134 -0.0172 -0.0320 0.0137 176 GLN O N +20708 C CA . GLN M 174 ? 0.6362 0.5582 0.5432 -0.0154 -0.0332 0.0139 176 GLN O CA +20709 C C . GLN M 174 ? 0.7513 0.6703 0.6557 -0.0148 -0.0317 0.0148 176 GLN O C +20710 O O . GLN M 174 ? 0.6824 0.6020 0.5868 -0.0135 -0.0322 0.0151 176 GLN O O +20711 C CB . GLN M 174 ? 0.6075 0.5344 0.5195 -0.0153 -0.0342 0.0136 176 GLN O CB +20712 C CG . GLN M 174 ? 0.6450 0.5747 0.5589 -0.0153 -0.0363 0.0125 176 GLN O CG +20713 C CD . GLN M 174 ? 0.8610 0.7898 0.7718 -0.0132 -0.0383 0.0121 176 GLN O CD +20714 O OE1 . GLN M 174 ? 0.6910 0.6155 0.5967 -0.0123 -0.0383 0.0124 176 GLN O OE1 +20715 N NE2 . GLN M 174 ? 0.6649 0.5977 0.5787 -0.0124 -0.0402 0.0115 176 GLN O NE2 +20716 N N . ALA M 175 ? 0.6538 0.5698 0.5560 -0.0159 -0.0298 0.0152 177 ALA O N +20717 C CA . ALA M 175 ? 0.7425 0.6552 0.6417 -0.0155 -0.0285 0.0160 177 ALA O CA +20718 C C . ALA M 175 ? 0.7905 0.6993 0.6842 -0.0137 -0.0293 0.0162 177 ALA O C +20719 O O . ALA M 175 ? 0.7392 0.6473 0.6309 -0.0131 -0.0306 0.0157 177 ALA O O +20720 C CB . ALA M 175 ? 0.6771 0.5881 0.5760 -0.0172 -0.0262 0.0163 177 ALA O CB +20721 N N . LYS M 176 ? 0.8354 0.7416 0.7264 -0.0129 -0.0287 0.0169 178 LYS O N +20722 C CA . LYS M 176 ? 0.8220 0.7238 0.7072 -0.0111 -0.0293 0.0172 178 LYS O CA +20723 C C . LYS M 176 ? 0.7532 0.6506 0.6340 -0.0120 -0.0277 0.0174 178 LYS O C +20724 O O . LYS M 176 ? 0.8977 0.7937 0.7786 -0.0136 -0.0255 0.0178 178 LYS O O +20725 C CB . LYS M 176 ? 0.9764 0.8764 0.8599 -0.0099 -0.0291 0.0178 178 LYS O CB +20726 C CG . LYS M 176 ? 0.9130 0.8166 0.7992 -0.0080 -0.0312 0.0175 178 LYS O CG +20727 C CD . LYS M 176 ? 1.1797 1.0806 1.0629 -0.0062 -0.0313 0.0181 178 LYS O CD +20728 C CE . LYS M 176 ? 1.3402 1.2441 1.2249 -0.0038 -0.0337 0.0177 178 LYS O CE +20729 N NZ . LYS M 176 ? 1.1198 1.0303 1.0114 -0.0046 -0.0344 0.0170 178 LYS O NZ +20730 N N A GLU M 177 ? 0.9485 0.8436 0.8253 -0.0110 -0.0288 0.0171 179 GLU O N +20731 N N B GLU M 177 ? 0.9482 0.8434 0.8252 -0.0111 -0.0288 0.0171 179 GLU O N +20732 C CA A GLU M 177 ? 1.0219 0.9133 0.8949 -0.0119 -0.0274 0.0172 179 GLU O CA +20733 C CA B GLU M 177 ? 1.0207 0.9121 0.8938 -0.0120 -0.0272 0.0172 179 GLU O CA +20734 C C A GLU M 177 ? 1.0556 0.9413 0.9230 -0.0118 -0.0256 0.0180 179 GLU O C +20735 C C B GLU M 177 ? 1.0537 0.9397 0.9217 -0.0120 -0.0254 0.0181 179 GLU O C +20736 O O A GLU M 177 ? 0.9039 0.7871 0.7693 -0.0132 -0.0235 0.0182 179 GLU O O +20737 O O B GLU M 177 ? 0.9145 0.7983 0.7811 -0.0136 -0.0231 0.0183 179 GLU O O +20738 C CB A GLU M 177 ? 1.0250 0.9157 0.8953 -0.0107 -0.0293 0.0165 179 GLU O CB +20739 C CB B GLU M 177 ? 1.0229 0.9132 0.8930 -0.0110 -0.0289 0.0166 179 GLU O CB +20740 C CG A GLU M 177 ? 1.0488 0.9448 0.9242 -0.0110 -0.0312 0.0155 179 GLU O CG +20741 C CG B GLU M 177 ? 1.0496 0.9446 0.9244 -0.0117 -0.0301 0.0156 179 GLU O CG +20742 C CD A GLU M 177 ? 1.0331 0.9290 0.9062 -0.0091 -0.0340 0.0149 179 GLU O CD +20743 C CD B GLU M 177 ? 1.1264 1.0193 0.9976 -0.0113 -0.0311 0.0150 179 GLU O CD +20744 O OE1 A GLU M 177 ? 1.0784 0.9710 0.9467 -0.0072 -0.0348 0.0153 179 GLU O OE1 +20745 O OE1 B GLU M 177 ? 1.0809 0.9711 0.9475 -0.0094 -0.0326 0.0150 179 GLU O OE1 +20746 O OE2 A GLU M 177 ? 1.1581 1.0571 1.0340 -0.0096 -0.0353 0.0139 179 GLU O OE2 +20747 O OE2 B GLU M 177 ? 0.9960 0.8900 0.8690 -0.0128 -0.0303 0.0145 179 GLU O OE2 +20748 N N . GLU M 178 ? 0.9213 0.8050 0.7863 -0.0101 -0.0263 0.0186 180 GLU O N +20749 C CA . GLU M 178 ? 1.0328 0.9104 0.8917 -0.0099 -0.0247 0.0195 180 GLU O CA +20750 C C . GLU M 178 ? 0.9887 0.8658 0.8493 -0.0123 -0.0218 0.0198 180 GLU O C +20751 O O . GLU M 178 ? 0.9782 0.8508 0.8346 -0.0132 -0.0198 0.0203 180 GLU O O +20752 C CB . GLU M 178 ? 1.0175 0.8931 0.8737 -0.0076 -0.0261 0.0199 180 GLU O CB +20753 C CG . GLU M 178 ? 1.2222 1.1005 1.0792 -0.0051 -0.0293 0.0193 180 GLU O CG +20754 C CD . GLU M 178 ? 1.4214 1.3064 1.2857 -0.0052 -0.0305 0.0188 180 GLU O CD +20755 O OE1 . GLU M 178 ? 1.2199 1.1054 1.0856 -0.0048 -0.0302 0.0192 180 GLU O OE1 +20756 O OE2 . GLU M 178 ? 1.2272 1.1166 1.0955 -0.0057 -0.0317 0.0180 180 GLU O OE2 +20757 N N . GLU M 179 ? 0.8809 0.7625 0.7475 -0.0133 -0.0217 0.0196 181 GLU O N +20758 C CA . GLU M 179 ? 1.0458 0.9274 0.9144 -0.0155 -0.0193 0.0198 181 GLU O CA +20759 C C . GLU M 179 ? 1.0140 0.8958 0.8833 -0.0174 -0.0175 0.0195 181 GLU O C +20760 O O . GLU M 179 ? 0.9210 0.8011 0.7897 -0.0191 -0.0152 0.0197 181 GLU O O +20761 C CB . GLU M 179 ? 0.9317 0.8182 0.8063 -0.0159 -0.0199 0.0196 181 GLU O CB +20762 C CG . GLU M 179 ? 1.3650 1.2515 1.2390 -0.0138 -0.0216 0.0199 181 GLU O CG +20763 C CD . GLU M 179 ? 1.8177 1.7095 1.6976 -0.0138 -0.0225 0.0195 181 GLU O CD +20764 O OE1 . GLU M 179 ? 1.5706 1.4661 1.4551 -0.0154 -0.0219 0.0191 181 GLU O OE1 +20765 O OE2 . GLU M 179 ? 1.6415 1.5337 1.5213 -0.0121 -0.0237 0.0197 181 GLU O OE2 +20766 N N . LEU M 180 ? 0.8952 0.7792 0.7656 -0.0172 -0.0186 0.0189 182 LEU O N +20767 C CA . LEU M 180 ? 0.7045 0.5891 0.5760 -0.0188 -0.0171 0.0184 182 LEU O CA +20768 C C . LEU M 180 ? 0.7427 0.6227 0.6082 -0.0184 -0.0164 0.0185 182 LEU O C +20769 O O . LEU M 180 ? 0.7053 0.5857 0.5712 -0.0195 -0.0153 0.0181 182 LEU O O +20770 C CB . LEU M 180 ? 0.7132 0.6029 0.5899 -0.0190 -0.0184 0.0177 182 LEU O CB +20771 C CG . LEU M 180 ? 0.8279 0.7220 0.7105 -0.0197 -0.0187 0.0176 182 LEU O CG +20772 C CD1 . LEU M 180 ? 0.7560 0.6546 0.6430 -0.0196 -0.0203 0.0169 182 LEU O CD1 +20773 C CD2 . LEU M 180 ? 0.7472 0.6418 0.6320 -0.0216 -0.0164 0.0177 182 LEU O CD2 +20774 N N . ALA M 181 ? 0.7516 0.6270 0.6113 -0.0170 -0.0169 0.0191 183 ALA O N +20775 C CA . ALA M 181 ? 0.8005 0.6715 0.6541 -0.0163 -0.0166 0.0191 183 ALA O CA +20776 C C . ALA M 181 ? 0.7714 0.6400 0.6232 -0.0182 -0.0134 0.0192 183 ALA O C +20777 O O . ALA M 181 ? 0.7945 0.6618 0.6441 -0.0184 -0.0129 0.0189 183 ALA O O +20778 C CB . ALA M 181 ? 0.7944 0.6605 0.6417 -0.0142 -0.0177 0.0198 183 ALA O CB +20779 N N . ARG M 182 ? 0.7532 0.6211 0.6061 -0.0198 -0.0113 0.0197 184 ARG O N +20780 C CA . ARG M 182 ? 0.7765 0.6420 0.6276 -0.0216 -0.0082 0.0197 184 ARG O CA +20781 C C . ARG M 182 ? 0.8216 0.6913 0.6774 -0.0229 -0.0074 0.0189 184 ARG O C +20782 O O . ARG M 182 ? 0.7169 0.5847 0.5705 -0.0239 -0.0053 0.0187 184 ARG O O +20783 C CB . ARG M 182 ? 0.8503 0.7145 0.7019 -0.0232 -0.0062 0.0203 184 ARG O CB +20784 C CG . ARG M 182 ? 1.1196 0.9803 0.9681 -0.0250 -0.0028 0.0204 184 ARG O CG +20785 C CD . ARG M 182 ? 1.2064 1.0645 1.0540 -0.0265 -0.0009 0.0210 184 ARG O CD +20786 N NE . ARG M 182 ? 1.2283 1.0832 1.0729 -0.0283 0.0024 0.0211 184 ARG O NE +20787 C CZ . ARG M 182 ? 1.3784 1.2302 1.2211 -0.0300 0.0047 0.0215 184 ARG O CZ +20788 N NH1 . ARG M 182 ? 1.4526 1.3036 1.2959 -0.0301 0.0042 0.0219 184 ARG O NH1 +20789 N NH2 . ARG M 182 ? 1.3212 1.1704 1.1614 -0.0317 0.0078 0.0216 184 ARG O NH2 +20790 N N . ALA M 183 ? 0.7134 0.5885 0.5753 -0.0229 -0.0089 0.0183 185 ALA O N +20791 C CA . ALA M 183 ? 0.7766 0.6555 0.6428 -0.0240 -0.0083 0.0175 185 ALA O CA +20792 C C . ALA M 183 ? 0.6924 0.5718 0.5577 -0.0227 -0.0101 0.0169 185 ALA O C +20793 O O . ALA M 183 ? 0.7675 0.6480 0.6338 -0.0234 -0.0092 0.0163 185 ALA O O +20794 C CB . ALA M 183 ? 0.6039 0.4880 0.4771 -0.0248 -0.0088 0.0173 185 ALA O CB +20795 N N . ASN M 184 ? 0.6924 0.5711 0.5556 -0.0210 -0.0127 0.0170 186 ASN O N +20796 C CA . ASN M 184 ? 0.6673 0.5466 0.5297 -0.0199 -0.0147 0.0164 186 ASN O CA +20797 C C . ASN M 184 ? 0.7270 0.6014 0.5827 -0.0192 -0.0140 0.0164 186 ASN O C +20798 O O . ASN M 184 ? 0.8373 0.7121 0.6925 -0.0191 -0.0145 0.0156 186 ASN O O +20799 C CB . ASN M 184 ? 0.7295 0.6104 0.5927 -0.0182 -0.0178 0.0163 186 ASN O CB +20800 C CG . ASN M 184 ? 0.7047 0.5911 0.5749 -0.0187 -0.0188 0.0161 186 ASN O CG +20801 O OD1 . ASN M 184 ? 0.7469 0.6361 0.6213 -0.0201 -0.0177 0.0157 186 ASN O OD1 +20802 N ND2 . ASN M 184 ? 0.7096 0.5976 0.5810 -0.0175 -0.0209 0.0162 186 ASN O ND2 +20803 N N . VAL M 185 ? 0.7373 0.6069 0.5875 -0.0189 -0.0129 0.0172 187 VAL O N +20804 C CA . VAL M 185 ? 0.7268 0.5910 0.5696 -0.0180 -0.0123 0.0173 187 VAL O CA +20805 C C . VAL M 185 ? 0.7389 0.6009 0.5803 -0.0198 -0.0087 0.0175 187 VAL O C +20806 O O . VAL M 185 ? 0.7927 0.6527 0.6330 -0.0208 -0.0067 0.0182 187 VAL O O +20807 C CB . VAL M 185 ? 0.7266 0.5863 0.5636 -0.0162 -0.0136 0.0181 187 VAL O CB +20808 C CG1 . VAL M 185 ? 0.7320 0.5856 0.5608 -0.0153 -0.0130 0.0183 187 VAL O CG1 +20809 C CG2 . VAL M 185 ? 0.6709 0.5336 0.5103 -0.0145 -0.0172 0.0178 187 VAL O CG2 +20810 N N . LYS M 186 ? 0.7234 0.5859 0.5648 -0.0203 -0.0077 0.0168 188 LYS O N +20811 C CA . LYS M 186 ? 0.7759 0.6369 0.6163 -0.0220 -0.0041 0.0168 188 LYS O CA +20812 C C . LYS M 186 ? 0.7972 0.6514 0.6291 -0.0215 -0.0026 0.0175 188 LYS O C +20813 O O . LYS M 186 ? 0.7517 0.6026 0.5783 -0.0197 -0.0044 0.0175 188 LYS O O +20814 C CB . LYS M 186 ? 0.7184 0.5822 0.5617 -0.0225 -0.0036 0.0157 188 LYS O CB +20815 C CG . LYS M 186 ? 0.7111 0.5810 0.5620 -0.0228 -0.0053 0.0151 188 LYS O CG +20816 C CD . LYS M 186 ? 0.7186 0.5915 0.5746 -0.0240 -0.0046 0.0155 188 LYS O CD +20817 C CE . LYS M 186 ? 0.7343 0.6131 0.5977 -0.0245 -0.0055 0.0148 188 LYS O CE +20818 N NZ . LYS M 186 ? 0.6220 0.5034 0.4899 -0.0257 -0.0047 0.0152 188 LYS O NZ +20819 N N . ARG M 187 ? 0.7955 0.6474 0.6260 -0.0231 0.0007 0.0180 189 ARG O N +20820 C CA . ARG M 187 ? 0.7432 0.5884 0.5656 -0.0230 0.0026 0.0187 189 ARG O CA +20821 C C . ARG M 187 ? 0.8691 0.7137 0.6913 -0.0248 0.0065 0.0184 189 ARG O C +20822 O O . ARG M 187 ? 0.8289 0.6777 0.6571 -0.0266 0.0082 0.0180 189 ARG O O +20823 C CB . ARG M 187 ? 0.7716 0.6133 0.5912 -0.0231 0.0031 0.0198 189 ARG O CB +20824 C CG . ARG M 187 ? 0.9412 0.7817 0.7586 -0.0207 -0.0006 0.0202 189 ARG O CG +20825 C CD . ARG M 187 ? 1.0549 0.8926 0.8706 -0.0208 -0.0003 0.0212 189 ARG O CD +20826 N NE . ARG M 187 ? 1.0798 0.9226 0.9031 -0.0224 0.0002 0.0210 189 ARG O NE +20827 C CZ . ARG M 187 ? 1.3162 1.1572 1.1393 -0.0236 0.0018 0.0217 189 ARG O CZ +20828 N NH1 . ARG M 187 ? 1.2618 1.0961 1.0778 -0.0235 0.0032 0.0226 189 ARG O NH1 +20829 N NH2 . ARG M 187 ? 1.0059 0.8518 0.8359 -0.0250 0.0019 0.0214 189 ARG O NH2 +20830 N N . PHE M 188 ? 0.7416 0.5811 0.5567 -0.0242 0.0077 0.0185 190 PHE O N +20831 C CA . PHE M 188 ? 0.7982 0.6369 0.6124 -0.0257 0.0114 0.0182 190 PHE O CA +20832 C C . PHE M 188 ? 0.8809 0.7139 0.6895 -0.0269 0.0145 0.0192 190 PHE O C +20833 O O . PHE M 188 ? 0.8514 0.6782 0.6520 -0.0257 0.0142 0.0200 190 PHE O O +20834 C CB . PHE M 188 ? 0.7914 0.6282 0.6013 -0.0243 0.0108 0.0175 190 PHE O CB +20835 C CG . PHE M 188 ? 0.8399 0.6771 0.6500 -0.0256 0.0143 0.0169 190 PHE O CG +20836 C CD1 . PHE M 188 ? 0.7354 0.5679 0.5404 -0.0268 0.0181 0.0174 190 PHE O CD1 +20837 C CD2 . PHE M 188 ? 0.7678 0.6097 0.5830 -0.0256 0.0139 0.0156 190 PHE O CD2 +20838 C CE1 . PHE M 188 ? 0.8184 0.6515 0.6238 -0.0280 0.0215 0.0168 190 PHE O CE1 +20839 C CE2 . PHE M 188 ? 0.7896 0.6320 0.6050 -0.0266 0.0171 0.0150 190 PHE O CE2 +20840 C CZ . PHE M 188 ? 0.8126 0.6508 0.6233 -0.0278 0.0210 0.0155 190 PHE O CZ +20841 N N . SER M 189 ? 0.8374 0.6726 0.6501 -0.0293 0.0175 0.0192 191 SER O N +20842 C CA . SER M 189 ? 0.8882 0.7178 0.6955 -0.0307 0.0206 0.0202 191 SER O CA +20843 C C . SER M 189 ? 0.9226 0.7497 0.7263 -0.0318 0.0244 0.0199 191 SER O C +20844 O O . SER M 189 ? 0.9117 0.7428 0.7193 -0.0321 0.0252 0.0189 191 SER O O +20845 C CB . SER M 189 ? 0.9372 0.7695 0.7499 -0.0329 0.0220 0.0204 191 SER O CB +20846 O OG . SER M 189 ? 1.1060 0.9439 0.9256 -0.0348 0.0241 0.0194 191 SER O OG +20847 N N . LEU M 190 ? 0.9082 0.7283 0.7042 -0.0323 0.0267 0.0209 192 LEU O N +20848 C CA . LEU M 190 ? 0.8616 0.6786 0.6537 -0.0337 0.0310 0.0209 192 LEU O CA +20849 C C . LEU M 190 ? 0.9213 0.7335 0.7099 -0.0358 0.0340 0.0219 192 LEU O C +20850 O O . LEU M 190 ? 0.8367 0.6428 0.6185 -0.0347 0.0329 0.0231 192 LEU O O +20851 C CB . LEU M 190 ? 0.8762 0.6879 0.6600 -0.0316 0.0305 0.0210 192 LEU O CB +20852 C CG . LEU M 190 ? 0.9532 0.7597 0.7304 -0.0327 0.0349 0.0213 192 LEU O CG +20853 C CD1 . LEU M 190 ? 0.8555 0.6674 0.6386 -0.0343 0.0378 0.0200 192 LEU O CD1 +20854 C CD2 . LEU M 190 ? 0.9957 0.7955 0.7631 -0.0302 0.0335 0.0217 192 LEU O CD2 +20855 N N . THR M 191 ? 0.8192 0.6344 0.6126 -0.0387 0.0376 0.0215 193 THR O N +20856 C CA . THR M 191 ? 0.8411 0.6525 0.6322 -0.0411 0.0405 0.0224 193 THR O CA +20857 C C . THR M 191 ? 0.8544 0.6644 0.6438 -0.0434 0.0457 0.0221 193 THR O C +20858 O O . THR M 191 ? 0.8556 0.6680 0.6461 -0.0431 0.0468 0.0213 193 THR O O +20859 C CB . THR M 191 ? 0.9377 0.7547 0.7373 -0.0427 0.0398 0.0220 193 THR O CB +20860 O OG1 . THR M 191 ? 0.8511 0.6764 0.6599 -0.0438 0.0403 0.0206 193 THR O OG1 +20861 C CG2 . THR M 191 ? 0.7983 0.6157 0.5985 -0.0404 0.0351 0.0224 193 THR O CG2 +20862 N N . LYS M 192 ? 0.9252 0.7311 0.7119 -0.0459 0.0489 0.0229 194 LYS O N +20863 C CA . LYS M 192 ? 0.9203 0.7245 0.7051 -0.0484 0.0540 0.0227 194 LYS O CA +20864 C C . LYS M 192 ? 0.8883 0.6981 0.6815 -0.0518 0.0566 0.0220 194 LYS O C +20865 O O . LYS M 192 ? 0.9128 0.7246 0.7102 -0.0526 0.0549 0.0221 194 LYS O O +20866 C CB . LYS M 192 ? 1.0673 0.8611 0.8407 -0.0487 0.0564 0.0242 194 LYS O CB +20867 C CG . LYS M 192 ? 1.0852 0.8730 0.8495 -0.0452 0.0541 0.0249 194 LYS O CG +20868 C CD . LYS M 192 ? 1.4301 1.2109 1.1854 -0.0457 0.0581 0.0255 194 LYS O CD +20869 C CE . LYS M 192 ? 1.4605 1.2455 1.2182 -0.0455 0.0596 0.0242 194 LYS O CE +20870 N NZ . LYS M 192 ? 1.2704 1.0478 1.0177 -0.0447 0.0623 0.0249 194 LYS O NZ +20871 N N . GLY M 193 ? 0.8180 0.6310 0.6143 -0.0538 0.0604 0.0211 195 GLY O N +20872 C CA . GLY M 193 ? 0.8244 0.6419 0.6276 -0.0573 0.0636 0.0203 195 GLY O CA +20873 C C . GLY M 193 ? 0.9487 0.7613 0.7467 -0.0599 0.0691 0.0207 195 GLY O C +20874 O O . GLY M 193 ? 0.8914 0.6974 0.6805 -0.0588 0.0705 0.0215 195 GLY O O +20875 N N . GLN M 194 ? 0.7806 0.5965 0.5841 -0.0635 0.0722 0.0201 196 GLN O N +20876 C CA . GLN M 194 ? 0.9482 0.7601 0.7478 -0.0666 0.0778 0.0203 196 GLN O CA +20877 C C . GLN M 194 ? 0.8505 0.6713 0.6600 -0.0691 0.0808 0.0186 196 GLN O C +20878 O O . GLN M 194 ? 0.8702 0.6988 0.6891 -0.0695 0.0788 0.0175 196 GLN O O +20879 C CB . GLN M 194 ? 0.9261 0.7317 0.7214 -0.0690 0.0792 0.0215 196 GLN O CB +20880 C CG . GLN M 194 ? 1.3581 1.1545 1.1433 -0.0664 0.0763 0.0232 196 GLN O CG +20881 C CD . GLN M 194 ? 1.6868 1.4860 1.4758 -0.0643 0.0709 0.0233 196 GLN O CD +20882 O OE1 . GLN M 194 ? 1.5532 1.3591 1.3512 -0.0657 0.0698 0.0224 196 GLN O OE1 +20883 N NE2 . GLN M 194 ? 1.5179 1.3121 1.3002 -0.0608 0.0673 0.0243 196 GLN O NE2 +20884 N N . ILE M 195 ? 0.8642 0.6836 0.6712 -0.0708 0.0857 0.0183 197 ILE O N +20885 C CA . ILE M 195 ? 0.9518 0.7797 0.7680 -0.0730 0.0887 0.0166 197 ILE O CA +20886 C C . ILE M 195 ? 0.9572 0.7816 0.7702 -0.0767 0.0949 0.0168 197 ILE O C +20887 O O . ILE M 195 ? 0.8887 0.7041 0.6913 -0.0766 0.0971 0.0181 197 ILE O O +20888 C CB . ILE M 195 ? 0.8344 0.6676 0.6536 -0.0702 0.0878 0.0155 197 ILE O CB +20889 C CG1 . ILE M 195 ? 0.8986 0.7411 0.7278 -0.0722 0.0908 0.0136 197 ILE O CG1 +20890 C CG2 . ILE M 195 ? 0.8677 0.6935 0.6766 -0.0685 0.0895 0.0163 197 ILE O CG2 +20891 C CD1 . ILE M 195 ? 0.8306 0.6795 0.6649 -0.0693 0.0886 0.0124 197 ILE O CD1 +20892 N N . SER M 196 ? 0.8554 0.6868 0.6772 -0.0800 0.0976 0.0154 198 SER O N +20893 C CA . SER M 196 ? 0.9306 0.7607 0.7515 -0.0838 0.1037 0.0152 198 SER O CA +20894 C C . SER M 196 ? 0.7487 0.5883 0.5785 -0.0844 0.1061 0.0132 198 SER O C +20895 O O . SER M 196 ? 0.9001 0.7489 0.7402 -0.0842 0.1039 0.0117 198 SER O O +20896 C CB . SER M 196 ? 0.9172 0.7467 0.7406 -0.0878 0.1051 0.0153 198 SER O CB +20897 O OG . SER M 196 ? 1.2717 1.0920 1.0867 -0.0873 0.1031 0.0171 198 SER O OG +20898 N N . LEU M 197 ? 0.9271 0.7644 0.7527 -0.0849 0.1107 0.0131 199 LEU O N +20899 C CA . LEU M 197 ? 0.9157 0.7615 0.7491 -0.0857 0.1137 0.0112 199 LEU O CA +20900 C C . LEU M 197 ? 0.9817 0.8271 0.8159 -0.0904 0.1199 0.0109 199 LEU O C +20901 O O . LEU M 197 ? 1.1119 0.9489 0.9366 -0.0917 0.1237 0.0121 199 LEU O O +20902 C CB . LEU M 197 ? 0.8894 0.7334 0.7177 -0.0824 0.1142 0.0112 199 LEU O CB +20903 C CG . LEU M 197 ? 0.9233 0.7674 0.7506 -0.0778 0.1082 0.0115 199 LEU O CG +20904 C CD1 . LEU M 197 ? 1.1809 1.0187 0.9986 -0.0750 0.1088 0.0122 199 LEU O CD1 +20905 C CD2 . LEU M 197 ? 1.1262 0.9814 0.9650 -0.0765 0.1059 0.0096 199 LEU O CD2 +20906 N N . ASN M 198 ? 0.8817 0.7360 0.7268 -0.0932 0.1209 0.0093 200 ASN O N +20907 C CA . ASN M 198 ? 1.0032 0.8586 0.8507 -0.0980 0.1267 0.0087 200 ASN O CA +20908 C C . ASN M 198 ? 0.9355 0.7991 0.7898 -0.0982 0.1303 0.0068 200 ASN O C +20909 O O . ASN M 198 ? 1.0000 0.8741 0.8654 -0.0978 0.1287 0.0049 200 ASN O O +20910 C CB . ASN M 198 ? 1.0390 0.8989 0.8944 -0.1012 0.1255 0.0079 200 ASN O CB +20911 C CG . ASN M 198 ? 1.2217 1.0855 1.0825 -0.1063 0.1313 0.0067 200 ASN O CG +20912 O OD1 . ASN M 198 ? 1.4041 1.2784 1.2757 -0.1072 0.1323 0.0046 200 ASN O OD1 +20913 N ND2 . ASN M 198 ? 1.6030 1.4582 1.4560 -0.1095 0.1351 0.0080 200 ASN O ND2 +20914 N N . VAL M 199 ? 0.9197 0.7783 0.7669 -0.0988 0.1352 0.0072 201 VAL O N +20915 C CA . VAL M 199 ? 0.9843 0.8504 0.8377 -0.0992 0.1392 0.0054 201 VAL O CA +20916 C C . VAL M 199 ? 0.9725 0.8470 0.8366 -0.1037 0.1423 0.0037 201 VAL O C +20917 O O . VAL M 199 ? 1.2940 1.1649 1.1566 -0.1076 0.1444 0.0043 201 VAL O O +20918 C CB . VAL M 199 ? 1.1042 0.9626 0.9472 -0.0991 0.1442 0.0064 201 VAL O CB +20919 C CG1 . VAL M 199 ? 1.0640 0.9303 0.9132 -0.0989 0.1480 0.0044 201 VAL O CG1 +20920 C CG2 . VAL M 199 ? 0.8902 0.7396 0.7219 -0.0948 0.1407 0.0082 201 VAL O CG2 +20921 N N . ALA M 200 ? 0.9700 0.8559 0.8452 -0.1030 0.1423 0.0015 202 ALA O N +20922 C CA . ALA M 200 ? 0.8771 0.7723 0.7637 -0.1069 0.1448 -0.0004 202 ALA O CA +20923 C C . ALA M 200 ? 1.0288 0.9317 0.9215 -0.1075 0.1496 -0.0024 202 ALA O C +20924 O O . ALA M 200 ? 1.1436 1.0528 1.0440 -0.1114 0.1532 -0.0039 202 ALA O O +20925 C CB . ALA M 200 ? 0.9247 0.8284 0.8216 -0.1058 0.1392 -0.0016 202 ALA O CB +20926 N N . LYS M 201 ? 1.1038 1.0067 0.9937 -0.1036 0.1495 -0.0025 203 LYS O N +20927 C CA . LYS M 201 ? 0.9998 0.9088 0.8940 -0.1035 0.1541 -0.0042 203 LYS O CA +20928 C C . LYS M 201 ? 1.0731 0.9737 0.9557 -0.1007 0.1558 -0.0029 203 LYS O C +20929 O O . LYS M 201 ? 1.0664 0.9608 0.9419 -0.0971 0.1514 -0.0015 203 LYS O O +20930 C CB . LYS M 201 ? 1.0495 0.9707 0.9557 -0.1008 0.1512 -0.0064 203 LYS O CB +20931 C CG . LYS M 201 ? 1.1581 1.0884 1.0762 -0.1033 0.1493 -0.0079 203 LYS O CG +20932 C CD . LYS M 201 ? 1.1985 1.1402 1.1276 -0.1001 0.1463 -0.0101 203 LYS O CD +20933 C CE . LYS M 201 ? 1.2416 1.1928 1.1827 -0.1025 0.1445 -0.0117 203 LYS O CE +20934 N NZ . LYS M 201 ? 1.3835 1.3450 1.3344 -0.0990 0.1409 -0.0136 203 LYS O NZ +20935 N N . VAL M 202 ? 1.1007 1.0008 0.9813 -0.1025 0.1622 -0.0033 204 VAL O N +20936 C CA . VAL M 202 ? 0.9731 0.8660 0.8433 -0.0999 0.1644 -0.0024 204 VAL O CA +20937 C C . VAL M 202 ? 1.1698 1.0709 1.0465 -0.0998 0.1692 -0.0046 204 VAL O C +20938 O O . VAL M 202 ? 1.2683 1.1762 1.1528 -0.1036 0.1735 -0.0060 204 VAL O O +20939 C CB . VAL M 202 ? 1.0359 0.9162 0.8930 -0.1024 0.1682 -0.0002 204 VAL O CB +20940 C CG1 . VAL M 202 ? 1.0276 0.9003 0.8736 -0.0993 0.1700 0.0008 204 VAL O CG1 +20941 C CG2 . VAL M 202 ? 0.8875 0.7603 0.7391 -0.1029 0.1639 0.0018 204 VAL O CG2 +20942 N N . ASP M 203 ? 1.2255 1.1263 1.0992 -0.0954 0.1682 -0.0049 205 ASP O N +20943 C CA . ASP M 203 ? 1.0195 0.9262 0.8970 -0.0947 0.1728 -0.0067 205 ASP O CA +20944 C C . ASP M 203 ? 1.2233 1.1193 1.0870 -0.0939 0.1765 -0.0052 205 ASP O C +20945 O O . ASP M 203 ? 1.0560 0.9462 0.9120 -0.0897 0.1734 -0.0043 205 ASP O O +20946 C CB . ASP M 203 ? 1.1806 1.0958 1.0658 -0.0902 0.1687 -0.0084 205 ASP O CB +20947 C CG . ASP M 203 ? 1.1721 1.0943 1.0622 -0.0894 0.1735 -0.0105 205 ASP O CG +20948 O OD1 . ASP M 203 ? 1.1161 1.0325 0.9980 -0.0895 0.1783 -0.0100 205 ASP O OD1 +20949 O OD2 . ASP M 203 ? 1.2068 1.1403 1.1090 -0.0885 0.1723 -0.0126 205 ASP O OD2 +20950 N N . GLY M 204 ? 1.4220 1.3153 1.2828 -0.0979 0.1834 -0.0050 206 GLY O N +20951 C CA . GLY M 204 ? 1.1793 1.0609 1.0259 -0.0978 0.1871 -0.0033 206 GLY O CA +20952 C C . GLY M 204 ? 1.1486 1.0294 0.9908 -0.0936 0.1881 -0.0039 206 GLY O C +20953 O O . GLY M 204 ? 1.3791 1.2493 1.2085 -0.0915 0.1878 -0.0022 206 GLY O O +20954 N N . ARG M 205 ? 1.1917 1.0835 1.0443 -0.0922 0.1891 -0.0063 207 ARG O N +20955 C CA . ARG M 205 ? 1.1881 1.0791 1.0366 -0.0882 0.1904 -0.0070 207 ARG O CA +20956 C C . ARG M 205 ? 1.3250 1.2141 1.1709 -0.0830 0.1832 -0.0067 207 ARG O C +20957 O O . ARG M 205 ? 1.2144 1.0961 1.0501 -0.0798 0.1830 -0.0060 207 ARG O O +20958 C CB . ARG M 205 ? 1.3615 1.2646 1.2215 -0.0885 0.1944 -0.0098 207 ARG O CB +20959 C CG . ARG M 205 ? 1.3982 1.3134 1.2734 -0.0905 0.1928 -0.0115 207 ARG O CG +20960 C CD . ARG M 205 ? 1.7059 1.6334 1.5925 -0.0888 0.1945 -0.0143 207 ARG O CD +20961 N NE . ARG M 205 ? 1.9290 1.8682 1.8302 -0.0908 0.1930 -0.0160 207 ARG O NE +20962 C CZ . ARG M 205 ? 1.8915 1.8366 1.8001 -0.0883 0.1866 -0.0167 207 ARG O CZ +20963 N NH1 . ARG M 205 ? 1.6744 1.6152 1.5780 -0.0837 0.1811 -0.0159 207 ARG O NH1 +20964 N NH2 . ARG M 205 ? 1.7393 1.6949 1.6608 -0.0904 0.1857 -0.0183 207 ARG O NH2 +20965 N N . THR M 206 ? 1.2354 1.1309 1.0901 -0.0820 0.1774 -0.0073 208 THR O N +20966 C CA . THR M 206 ? 0.9679 0.8623 0.8210 -0.0771 0.1708 -0.0071 208 THR O CA +20967 C C . THR M 206 ? 1.1422 1.0259 0.9849 -0.0764 0.1662 -0.0047 208 THR O C +20968 O O . THR M 206 ? 1.3218 1.2021 1.1601 -0.0724 0.1614 -0.0042 208 THR O O +20969 C CB . THR M 206 ? 0.9756 0.8814 0.8423 -0.0760 0.1665 -0.0088 208 THR O CB +20970 O OG1 . THR M 206 ? 1.0857 0.9928 0.9567 -0.0791 0.1642 -0.0081 208 THR O OG1 +20971 C CG2 . THR M 206 ? 0.9955 0.9124 0.8730 -0.0767 0.1709 -0.0114 208 THR O CG2 +20972 N N . GLY M 207 ? 1.0616 0.9398 0.9002 -0.0801 0.1676 -0.0031 209 GLY O N +20973 C CA . GLY M 207 ? 0.9891 0.8579 0.8189 -0.0792 0.1630 -0.0008 209 GLY O CA +20974 C C . GLY M 207 ? 1.1907 1.0641 1.0277 -0.0783 0.1563 -0.0009 209 GLY O C +20975 O O . GLY M 207 ? 1.0164 0.8830 0.8467 -0.0764 0.1514 0.0007 209 GLY O O +20976 N N . GLU M 208 ? 0.9466 0.8311 0.7968 -0.0795 0.1559 -0.0026 210 GLU O N +20977 C CA . GLU M 208 ? 1.1116 1.0008 0.9691 -0.0788 0.1497 -0.0028 210 GLU O CA +20978 C C . GLU M 208 ? 1.1099 0.9984 0.9695 -0.0831 0.1502 -0.0020 210 GLU O C +20979 O O . GLU M 208 ? 1.0305 0.9215 0.8933 -0.0870 0.1554 -0.0025 210 GLU O O +20980 C CB . GLU M 208 ? 0.9523 0.8539 0.8228 -0.0772 0.1485 -0.0052 210 GLU O CB +20981 C CG . GLU M 208 ? 0.9792 0.8822 0.8485 -0.0729 0.1480 -0.0062 210 GLU O CG +20982 C CD . GLU M 208 ? 1.0042 0.9195 0.8863 -0.0720 0.1485 -0.0088 210 GLU O CD +20983 O OE1 . GLU M 208 ? 1.1293 1.0500 1.0166 -0.0744 0.1539 -0.0101 210 GLU O OE1 +20984 O OE2 . GLU M 208 ? 1.1028 1.0226 0.9901 -0.0689 0.1433 -0.0095 210 GLU O OE2 +20985 N N . ILE M 209 ? 1.0894 0.9745 0.9471 -0.0823 0.1447 -0.0007 211 ILE O N +20986 C CA . ILE M 209 ? 0.9391 0.8241 0.7996 -0.0859 0.1441 0.0000 211 ILE O CA +20987 C C . ILE M 209 ? 1.0017 0.8929 0.8705 -0.0843 0.1378 -0.0006 211 ILE O C +20988 O O . ILE M 209 ? 1.0192 0.9108 0.8874 -0.0802 0.1332 -0.0006 211 ILE O O +20989 C CB . ILE M 209 ? 1.0318 0.9042 0.8797 -0.0870 0.1442 0.0025 211 ILE O CB +20990 C CG1 . ILE M 209 ? 0.9300 0.7965 0.7710 -0.0829 0.1382 0.0039 211 ILE O CG1 +20991 C CG2 . ILE M 209 ? 1.0278 0.8933 0.8666 -0.0885 0.1505 0.0032 211 ILE O CG2 +20992 C CD1 . ILE M 209 ? 0.9201 0.7749 0.7495 -0.0836 0.1374 0.0063 211 ILE O CD1 +20993 N N . ALA M 210 ? 1.1230 1.0193 0.9996 -0.0875 0.1377 -0.0011 212 ALA O N +20994 C CA . ALA M 210 ? 0.9312 0.8329 0.8152 -0.0865 0.1319 -0.0016 212 ALA O CA +20995 C C . ALA M 210 ? 1.0320 0.9309 0.9158 -0.0902 0.1316 -0.0006 212 ALA O C +20996 O O . ALA M 210 ? 0.9483 0.8438 0.8294 -0.0940 0.1364 -0.0002 212 ALA O O +20997 C CB . ALA M 210 ? 0.8862 0.8006 0.7835 -0.0860 0.1316 -0.0041 212 ALA O CB +20998 N N . GLY M 211 ? 0.9179 0.8179 0.8046 -0.0891 0.1261 -0.0003 213 GLY O N +20999 C CA . GLY M 211 ? 0.8821 0.7793 0.7685 -0.0923 0.1253 0.0006 213 GLY O CA +21000 C C . GLY M 211 ? 0.8769 0.7758 0.7664 -0.0902 0.1188 0.0008 213 GLY O C +21001 O O . GLY M 211 ? 0.8141 0.7191 0.7092 -0.0871 0.1152 -0.0001 213 GLY O O +21002 N N . THR M 212 ? 0.8869 0.7801 0.7726 -0.0920 0.1174 0.0022 214 THR O N +21003 C CA . THR M 212 ? 0.8746 0.7685 0.7624 -0.0905 0.1115 0.0026 214 THR O CA +21004 C C . THR M 212 ? 0.9868 0.8696 0.8629 -0.0886 0.1092 0.0049 214 THR O C +21005 O O . THR M 212 ? 0.8520 0.7265 0.7187 -0.0895 0.1125 0.0062 214 THR O O +21006 C CB . THR M 212 ? 0.9903 0.8876 0.8845 -0.0942 0.1114 0.0020 214 THR O CB +21007 O OG1 . THR M 212 ? 0.9316 0.8205 0.8184 -0.0976 0.1148 0.0033 214 THR O OG1 +21008 C CG2 . THR M 212 ? 0.7609 0.6694 0.6669 -0.0962 0.1139 -0.0004 214 THR O CG2 +21009 N N . PHE M 213 ? 0.7784 0.6612 0.6549 -0.0859 0.1035 0.0054 215 PHE O N +21010 C CA . PHE M 213 ? 0.8572 0.7303 0.7234 -0.0839 0.1009 0.0075 215 PHE O CA +21011 C C . PHE M 213 ? 0.7544 0.6277 0.6229 -0.0836 0.0962 0.0080 215 PHE O C +21012 O O . PHE M 213 ? 0.7960 0.6772 0.6739 -0.0841 0.0941 0.0067 215 PHE O O +21013 C CB . PHE M 213 ? 0.8649 0.7362 0.7266 -0.0794 0.0986 0.0079 215 PHE O CB +21014 C CG . PHE M 213 ? 0.9311 0.8092 0.7997 -0.0763 0.0934 0.0070 215 PHE O CG +21015 C CD1 . PHE M 213 ? 0.9054 0.7924 0.7824 -0.0754 0.0939 0.0052 215 PHE O CD1 +21016 C CD2 . PHE M 213 ? 0.8155 0.6908 0.6818 -0.0741 0.0883 0.0080 215 PHE O CD2 +21017 C CE1 . PHE M 213 ? 0.8408 0.7334 0.7236 -0.0726 0.0893 0.0044 215 PHE O CE1 +21018 C CE2 . PHE M 213 ? 0.7731 0.6542 0.6453 -0.0713 0.0838 0.0073 215 PHE O CE2 +21019 C CZ . PHE M 213 ? 0.8158 0.7054 0.6961 -0.0706 0.0844 0.0055 215 PHE O CZ +21020 N N . GLU M 214 ? 0.8141 0.6783 0.6734 -0.0828 0.0944 0.0098 216 GLU O N +21021 C CA . GLU M 214 ? 0.8374 0.7003 0.6970 -0.0819 0.0898 0.0105 216 GLU O CA +21022 C C . GLU M 214 ? 0.7992 0.6540 0.6489 -0.0785 0.0870 0.0123 216 GLU O C +21023 O O . GLU M 214 ? 0.8863 0.7327 0.7266 -0.0789 0.0894 0.0136 216 GLU O O +21024 C CB . GLU M 214 ? 0.7773 0.6376 0.6369 -0.0857 0.0914 0.0109 216 GLU O CB +21025 C CG . GLU M 214 ? 1.0907 0.9502 0.9511 -0.0849 0.0867 0.0114 216 GLU O CG +21026 C CD . GLU M 214 ? 1.1597 1.0164 1.0200 -0.0887 0.0884 0.0117 216 GLU O CD +21027 O OE1 . GLU M 214 ? 1.0428 0.9066 0.9119 -0.0916 0.0895 0.0101 216 GLU O OE1 +21028 O OE2 . GLU M 214 ? 1.2121 1.0595 1.0635 -0.0889 0.0884 0.0133 216 GLU O OE2 +21029 N N . SER M 215 ? 0.7897 0.6468 0.6415 -0.0753 0.0819 0.0123 217 SER O N +21030 C CA . SER M 215 ? 0.8240 0.6741 0.6673 -0.0721 0.0787 0.0138 217 SER O CA +21031 C C . SER M 215 ? 0.8072 0.6575 0.6524 -0.0713 0.0742 0.0143 217 SER O C +21032 O O . SER M 215 ? 0.8166 0.6738 0.6705 -0.0723 0.0728 0.0133 217 SER O O +21033 C CB . SER M 215 ? 0.6733 0.5252 0.5160 -0.0685 0.0769 0.0134 217 SER O CB +21034 O OG . SER M 215 ? 0.9105 0.7714 0.7628 -0.0673 0.0740 0.0121 217 SER O OG +21035 N N . GLU M 216 ? 0.8215 0.6641 0.6583 -0.0694 0.0720 0.0159 218 GLU O N +21036 C CA . GLU M 216 ? 0.8325 0.6746 0.6700 -0.0682 0.0676 0.0164 218 GLU O CA +21037 C C . GLU M 216 ? 0.8135 0.6528 0.6461 -0.0641 0.0638 0.0172 218 GLU O C +21038 O O . GLU M 216 ? 0.8532 0.6859 0.6773 -0.0629 0.0649 0.0181 218 GLU O O +21039 C CB . GLU M 216 ? 0.8783 0.7132 0.7102 -0.0702 0.0686 0.0177 218 GLU O CB +21040 C CG . GLU M 216 ? 1.3649 1.2032 1.2028 -0.0742 0.0711 0.0168 218 GLU O CG +21041 C CD . GLU M 216 ? 1.5721 1.4074 1.4092 -0.0749 0.0689 0.0175 218 GLU O CD +21042 O OE1 . GLU M 216 ? 1.5039 1.3440 1.3465 -0.0734 0.0649 0.0170 218 GLU O OE1 +21043 O OE2 . GLU M 216 ? 1.9476 1.7754 1.7782 -0.0768 0.0711 0.0185 218 GLU O OE2 +21044 N N . GLN M 217 ? 0.7910 0.6349 0.6286 -0.0621 0.0595 0.0168 219 GLN O N +21045 C CA . GLN M 217 ? 0.8575 0.6991 0.6910 -0.0584 0.0557 0.0175 219 GLN O CA +21046 C C . GLN M 217 ? 0.8214 0.6668 0.6599 -0.0571 0.0512 0.0174 219 GLN O C +21047 O O . GLN M 217 ? 0.8022 0.6523 0.6475 -0.0588 0.0510 0.0167 219 GLN O O +21048 C CB . GLN M 217 ? 0.6917 0.5364 0.5263 -0.0567 0.0559 0.0167 219 GLN O CB +21049 C CG . GLN M 217 ? 0.7873 0.6417 0.6325 -0.0572 0.0557 0.0150 219 GLN O CG +21050 C CD . GLN M 217 ? 0.8899 0.7474 0.7364 -0.0548 0.0546 0.0143 219 GLN O CD +21051 O OE1 . GLN M 217 ? 0.7520 0.6118 0.6000 -0.0554 0.0576 0.0134 219 GLN O OE1 +21052 N NE2 . GLN M 217 ? 0.7879 0.6452 0.6335 -0.0519 0.0503 0.0145 219 GLN O NE2 +21053 N N . LEU M 218 ? 0.8879 0.7312 0.7229 -0.0539 0.0476 0.0180 220 LEU O N +21054 C CA . LEU M 218 ? 0.8165 0.6635 0.6560 -0.0523 0.0432 0.0179 220 LEU O CA +21055 C C . LEU M 218 ? 0.8959 0.7507 0.7428 -0.0511 0.0416 0.0166 220 LEU O C +21056 O O . LEU M 218 ? 0.8257 0.6816 0.6724 -0.0505 0.0430 0.0160 220 LEU O O +21057 C CB . LEU M 218 ? 0.8033 0.6444 0.6356 -0.0495 0.0401 0.0191 220 LEU O CB +21058 C CG . LEU M 218 ? 0.8349 0.6679 0.6595 -0.0504 0.0414 0.0204 220 LEU O CG +21059 C CD1 . LEU M 218 ? 0.7809 0.6083 0.5983 -0.0474 0.0383 0.0215 220 LEU O CD1 +21060 C CD2 . LEU M 218 ? 0.7787 0.6137 0.6080 -0.0525 0.0414 0.0203 220 LEU O CD2 +21061 N N . SER M 219 ? 0.8021 0.6620 0.6555 -0.0507 0.0387 0.0162 221 SER O N +21062 C CA . SER M 219 ? 0.7326 0.5994 0.5929 -0.0494 0.0367 0.0151 221 SER O CA +21063 C C . SER M 219 ? 0.7793 0.6449 0.6371 -0.0463 0.0327 0.0156 221 SER O C +21064 O O . SER M 219 ? 0.7213 0.5809 0.5721 -0.0451 0.0317 0.0167 221 SER O O +21065 C CB . SER M 219 ? 0.7372 0.6101 0.6057 -0.0508 0.0358 0.0144 221 SER O CB +21066 O OG . SER M 219 ? 0.7429 0.6144 0.6108 -0.0500 0.0328 0.0151 221 SER O OG +21067 N N . ASP M 220 ? 0.7511 0.6224 0.6146 -0.0450 0.0305 0.0148 222 ASP O N +21068 C CA . ASP M 220 ? 0.7595 0.6304 0.6215 -0.0423 0.0269 0.0151 222 ASP O CA +21069 C C . ASP M 220 ? 0.7383 0.6071 0.5988 -0.0416 0.0241 0.0160 222 ASP O C +21070 O O . ASP M 220 ? 0.7864 0.6576 0.6510 -0.0428 0.0238 0.0159 222 ASP O O +21071 C CB . ASP M 220 ? 0.8180 0.6955 0.6870 -0.0415 0.0253 0.0140 222 ASP O CB +21072 C CG . ASP M 220 ? 0.7418 0.6196 0.6103 -0.0390 0.0215 0.0141 222 ASP O CG +21073 O OD1 . ASP M 220 ? 0.8281 0.7015 0.6905 -0.0375 0.0206 0.0146 222 ASP O OD1 +21074 O OD2 . ASP M 220 ? 0.8886 0.7712 0.7629 -0.0386 0.0194 0.0137 222 ASP O OD2 +21075 N N . ASP M 221 ? 0.7267 0.5915 0.5817 -0.0395 0.0220 0.0167 223 ASP O N +21076 C CA . ASP M 221 ? 0.7241 0.5876 0.5782 -0.0384 0.0190 0.0174 223 ASP O CA +21077 C C . ASP M 221 ? 0.7592 0.6263 0.6163 -0.0363 0.0154 0.0170 223 ASP O C +21078 O O . ASP M 221 ? 0.7108 0.5767 0.5666 -0.0349 0.0128 0.0176 223 ASP O O +21079 C CB . ASP M 221 ? 0.7165 0.5725 0.5619 -0.0376 0.0191 0.0185 223 ASP O CB +21080 C CG . ASP M 221 ? 0.8264 0.6793 0.6663 -0.0355 0.0181 0.0186 223 ASP O CG +21081 O OD1 . ASP M 221 ? 0.8423 0.6985 0.6848 -0.0349 0.0178 0.0178 223 ASP O OD1 +21082 O OD2 . ASP M 221 ? 0.8913 0.7383 0.7241 -0.0343 0.0175 0.0195 223 ASP O OD2 +21083 N N . ASP M 222 ? 0.7331 0.6043 0.5940 -0.0360 0.0154 0.0161 224 ASP O N +21084 C CA . ASP M 222 ? 0.6691 0.5437 0.5331 -0.0342 0.0122 0.0157 224 ASP O CA +21085 C C . ASP M 222 ? 0.7579 0.6285 0.6163 -0.0321 0.0097 0.0163 224 ASP O C +21086 O O . ASP M 222 ? 0.7047 0.5766 0.5645 -0.0310 0.0068 0.0165 224 ASP O O +21087 C CB . ASP M 222 ? 0.7301 0.6096 0.6008 -0.0346 0.0105 0.0155 224 ASP O CB +21088 C CG . ASP M 222 ? 0.8333 0.7169 0.7081 -0.0333 0.0080 0.0149 224 ASP O CG +21089 O OD1 . ASP M 222 ? 0.8928 0.7764 0.7666 -0.0324 0.0079 0.0144 224 ASP O OD1 +21090 O OD2 . ASP M 222 ? 0.9149 0.8016 0.7938 -0.0330 0.0060 0.0149 224 ASP O OD2 +21091 N N . MET M 223 ? 0.7999 0.6658 0.6518 -0.0317 0.0109 0.0165 225 MET O N +21092 C CA . MET M 223 ? 0.7256 0.5877 0.5718 -0.0296 0.0086 0.0169 225 MET O CA +21093 C C . MET M 223 ? 0.8400 0.6999 0.6842 -0.0287 0.0066 0.0178 225 MET O C +21094 O O . MET M 223 ? 0.7565 0.6164 0.5997 -0.0268 0.0035 0.0178 225 MET O O +21095 C CB . MET M 223 ? 0.7924 0.6578 0.6413 -0.0282 0.0062 0.0160 225 MET O CB +21096 C CG . MET M 223 ? 0.8702 0.7364 0.7195 -0.0288 0.0083 0.0152 225 MET O CG +21097 S SD . MET M 223 ? 1.1458 1.0127 0.9943 -0.0270 0.0060 0.0143 225 MET O SD +21098 C CE . MET M 223 ? 0.9298 0.7893 0.7683 -0.0262 0.0074 0.0147 225 MET O CE +21099 N N . GLY M 224 ? 0.8118 0.6697 0.6551 -0.0300 0.0084 0.0184 226 GLY O N +21100 C CA . GLY M 224 ? 0.7603 0.6152 0.6009 -0.0293 0.0070 0.0193 226 GLY O CA +21101 C C . GLY M 224 ? 0.8154 0.6748 0.6622 -0.0295 0.0054 0.0192 226 GLY O C +21102 O O . GLY M 224 ? 0.7939 0.6511 0.6387 -0.0287 0.0041 0.0199 226 GLY O O +21103 N N . ALA M 225 ? 0.8262 0.6915 0.6801 -0.0305 0.0054 0.0184 227 ALA O N +21104 C CA . ALA M 225 ? 0.7775 0.6471 0.6370 -0.0305 0.0036 0.0183 227 ALA O CA +21105 C C . ALA M 225 ? 0.8450 0.7139 0.7056 -0.0322 0.0053 0.0187 227 ALA O C +21106 O O . ALA M 225 ? 0.8471 0.7172 0.7098 -0.0319 0.0038 0.0189 227 ALA O O +21107 C CB . ALA M 225 ? 0.7976 0.6733 0.6638 -0.0308 0.0030 0.0174 227 ALA O CB +21108 N N . HIS M 226 ? 0.7929 0.6599 0.6521 -0.0341 0.0085 0.0186 228 HIS O N +21109 C CA . HIS M 226 ? 0.8509 0.7170 0.7109 -0.0360 0.0101 0.0189 228 HIS O CA +21110 C C . HIS M 226 ? 0.8441 0.7050 0.6989 -0.0375 0.0134 0.0193 228 HIS O C +21111 O O . HIS M 226 ? 0.8765 0.7355 0.7280 -0.0373 0.0147 0.0192 228 HIS O O +21112 C CB . HIS M 226 ? 0.8032 0.6755 0.6711 -0.0376 0.0106 0.0180 228 HIS O CB +21113 C CG . HIS M 226 ? 0.8331 0.7081 0.7036 -0.0388 0.0127 0.0172 228 HIS O CG +21114 N ND1 . HIS M 226 ? 0.7949 0.6681 0.6641 -0.0408 0.0161 0.0171 228 HIS O ND1 +21115 C CD2 . HIS M 226 ? 0.8056 0.6850 0.6801 -0.0381 0.0121 0.0164 228 HIS O CD2 +21116 C CE1 . HIS M 226 ? 0.9076 0.7843 0.7800 -0.0413 0.0174 0.0162 228 HIS O CE1 +21117 N NE2 . HIS M 226 ? 0.7578 0.6381 0.6333 -0.0397 0.0150 0.0158 228 HIS O NE2 +21118 N N . GLU M 227 ? 0.8781 0.7366 0.7319 -0.0391 0.0149 0.0197 229 GLU O N +21119 C CA . GLU M 227 ? 0.9841 0.8378 0.8333 -0.0410 0.0183 0.0200 229 GLU O CA +21120 C C . GLU M 227 ? 0.7610 0.6184 0.6143 -0.0431 0.0211 0.0191 229 GLU O C +21121 O O . GLU M 227 ? 0.8908 0.7544 0.7513 -0.0439 0.0208 0.0182 229 GLU O O +21122 C CB . GLU M 227 ? 0.9968 0.8475 0.8449 -0.0425 0.0191 0.0205 229 GLU O CB +21123 C CG . GLU M 227 ? 1.2112 1.0584 1.0555 -0.0403 0.0164 0.0213 229 GLU O CG +21124 C CD . GLU M 227 ? 1.3931 1.2340 1.2291 -0.0383 0.0160 0.0223 229 GLU O CD +21125 O OE1 . GLU M 227 ? 1.5676 1.4042 1.3988 -0.0393 0.0186 0.0226 229 GLU O OE1 +21126 O OE2 . GLU M 227 ? 1.6869 1.5271 1.5212 -0.0357 0.0129 0.0226 229 GLU O OE2 +21127 N N . PRO M 228 ? 0.8465 0.7002 0.6952 -0.0439 0.0239 0.0192 230 PRO O N +21128 C CA . PRO M 228 ? 0.8723 0.7295 0.7249 -0.0460 0.0269 0.0183 230 PRO O CA +21129 C C . PRO M 228 ? 0.8616 0.7186 0.7161 -0.0491 0.0296 0.0182 230 PRO O C +21130 O O . PRO M 228 ? 0.8835 0.7363 0.7347 -0.0496 0.0295 0.0189 230 PRO O O +21131 C CB . PRO M 228 ? 0.8430 0.6954 0.6890 -0.0455 0.0289 0.0187 230 PRO O CB +21132 C CG . PRO M 228 ? 0.8631 0.7077 0.7007 -0.0446 0.0283 0.0200 230 PRO O CG +21133 C CD . PRO M 228 ? 0.7769 0.6230 0.6165 -0.0428 0.0245 0.0203 230 PRO O CD +21134 N N . HIS M 229 ? 0.8353 0.6970 0.6951 -0.0510 0.0319 0.0171 231 HIS O N +21135 C CA . HIS M 229 ? 0.8455 0.7072 0.7071 -0.0543 0.0350 0.0168 231 HIS O CA +21136 C C . HIS M 229 ? 1.0208 0.8785 0.8776 -0.0559 0.0390 0.0169 231 HIS O C +21137 O O . HIS M 229 ? 0.8063 0.6636 0.6609 -0.0547 0.0397 0.0169 231 HIS O O +21138 C CB . HIS M 229 ? 0.7557 0.6257 0.6268 -0.0556 0.0351 0.0153 231 HIS O CB +21139 C CG . HIS M 229 ? 1.0824 0.9559 0.9582 -0.0550 0.0319 0.0151 231 HIS O CG +21140 N ND1 . HIS M 229 ? 0.9096 0.7857 0.7871 -0.0523 0.0284 0.0152 231 HIS O ND1 +21141 C CD2 . HIS M 229 ? 0.9719 0.8466 0.8508 -0.0568 0.0317 0.0149 231 HIS O CD2 +21142 C CE1 . HIS M 229 ? 1.1199 0.9986 1.0013 -0.0524 0.0263 0.0150 231 HIS O CE1 +21143 N NE2 . HIS M 229 ? 1.0874 0.9653 0.9696 -0.0550 0.0282 0.0148 231 HIS O NE2 +21144 N N . GLU M 230 ? 0.8193 0.6740 0.6747 -0.0587 0.0418 0.0171 232 GLU O N +21145 C CA . GLU M 230 ? 0.7963 0.6481 0.6484 -0.0608 0.0462 0.0171 232 GLU O CA +21146 C C . GLU M 230 ? 0.7882 0.6475 0.6486 -0.0631 0.0484 0.0156 232 GLU O C +21147 O O . GLU M 230 ? 0.7904 0.6548 0.6576 -0.0645 0.0478 0.0147 232 GLU O O +21148 C CB . GLU M 230 ? 0.8237 0.6683 0.6700 -0.0630 0.0483 0.0181 232 GLU O CB +21149 C CG . GLU M 230 ? 1.0472 0.8840 0.8848 -0.0607 0.0464 0.0196 232 GLU O CG +21150 C CD . GLU M 230 ? 1.3831 1.2122 1.2144 -0.0629 0.0489 0.0205 232 GLU O CD +21151 O OE1 . GLU M 230 ? 1.2360 1.0635 1.0660 -0.0656 0.0530 0.0204 232 GLU O OE1 +21152 O OE2 . GLU M 230 ? 1.2347 1.0597 1.0626 -0.0620 0.0468 0.0214 232 GLU O OE2 +21153 N N . VAL M 231 ? 0.7368 0.5967 0.5964 -0.0632 0.0510 0.0152 233 VAL O N +21154 C CA . VAL M 231 ? 0.8286 0.6962 0.6962 -0.0646 0.0530 0.0136 233 VAL O CA +21155 C C . VAL M 231 ? 0.8562 0.7212 0.7210 -0.0673 0.0580 0.0135 233 VAL O C +21156 O O . VAL M 231 ? 0.7729 0.6314 0.6297 -0.0666 0.0596 0.0144 233 VAL O O +21157 C CB . VAL M 231 ? 0.9377 0.8100 0.8084 -0.0618 0.0510 0.0129 233 VAL O CB +21158 C CG1 . VAL M 231 ? 0.7818 0.6625 0.6614 -0.0630 0.0526 0.0112 233 VAL O CG1 +21159 C CG2 . VAL M 231 ? 0.8732 0.7465 0.7448 -0.0591 0.0461 0.0133 233 VAL O CG2 +21160 N N . LYS M 232 ? 0.7366 0.6067 0.6080 -0.0702 0.0604 0.0123 234 LYS O N +21161 C CA . LYS M 232 ? 0.8204 0.6894 0.6906 -0.0729 0.0655 0.0119 234 LYS O CA +21162 C C . LYS M 232 ? 0.7928 0.6703 0.6709 -0.0729 0.0667 0.0102 234 LYS O C +21163 O O . LYS M 232 ? 0.8008 0.6857 0.6873 -0.0731 0.0649 0.0090 234 LYS O O +21164 C CB . LYS M 232 ? 1.0141 0.8812 0.8847 -0.0768 0.0679 0.0119 234 LYS O CB +21165 C CG . LYS M 232 ? 0.9514 0.8217 0.8257 -0.0803 0.0728 0.0107 234 LYS O CG +21166 C CD . LYS M 232 ? 1.1764 1.0399 1.0453 -0.0838 0.0763 0.0115 234 LYS O CD +21167 C CE . LYS M 232 ? 1.0417 0.9018 0.9093 -0.0845 0.0737 0.0122 234 LYS O CE +21168 N NZ . LYS M 232 ? 1.4349 1.2859 1.2943 -0.0870 0.0769 0.0134 234 LYS O NZ +21169 N N . ILE M 233 ? 0.7728 0.6491 0.6478 -0.0724 0.0695 0.0101 235 ILE O N +21170 C CA . ILE M 233 ? 0.8390 0.7229 0.7208 -0.0720 0.0707 0.0086 235 ILE O CA +21171 C C . ILE M 233 ? 0.8789 0.7634 0.7614 -0.0752 0.0762 0.0079 235 ILE O C +21172 O O . ILE M 233 ? 0.8384 0.7157 0.7130 -0.0764 0.0792 0.0089 235 ILE O O +21173 C CB . ILE M 233 ? 0.8532 0.7360 0.7314 -0.0683 0.0692 0.0088 235 ILE O CB +21174 C CG1 . ILE M 233 ? 0.8484 0.7300 0.7254 -0.0653 0.0639 0.0095 235 ILE O CG1 +21175 C CG2 . ILE M 233 ? 0.8160 0.7069 0.7017 -0.0676 0.0701 0.0071 235 ILE O CG2 +21176 C CD1 . ILE M 233 ? 0.8412 0.7147 0.7083 -0.0632 0.0629 0.0111 235 ILE O CD1 +21177 N N . GLN M 234 ? 0.7978 0.6908 0.6897 -0.0767 0.0774 0.0061 236 GLN O N +21178 C CA . GLN M 234 ? 0.9508 0.8459 0.8449 -0.0799 0.0826 0.0052 236 GLN O CA +21179 C C . GLN M 234 ? 0.8913 0.7943 0.7920 -0.0784 0.0835 0.0035 236 GLN O C +21180 O O . GLN M 234 ? 0.8930 0.8020 0.7996 -0.0761 0.0800 0.0027 236 GLN O O +21181 C CB . GLN M 234 ? 0.8721 0.7705 0.7719 -0.0837 0.0838 0.0044 236 GLN O CB +21182 C CG . GLN M 234 ? 0.7819 0.6719 0.6747 -0.0856 0.0838 0.0059 236 GLN O CG +21183 C CD . GLN M 234 ? 1.1541 1.0476 1.0531 -0.0886 0.0832 0.0051 236 GLN O CD +21184 O OE1 . GLN M 234 ? 0.9989 0.9014 0.9076 -0.0892 0.0826 0.0034 236 GLN O OE1 +21185 N NE2 . GLN M 234 ? 1.0593 0.9455 0.9524 -0.0903 0.0833 0.0064 236 GLN O NE2 +21186 N N . GLY M 235 ? 0.8202 0.7230 0.7195 -0.0798 0.0882 0.0031 237 GLY O N +21187 C CA . GLY M 235 ? 0.8430 0.7531 0.7484 -0.0786 0.0896 0.0014 237 GLY O CA +21188 C C . GLY M 235 ? 0.7911 0.6999 0.6941 -0.0805 0.0954 0.0011 237 GLY O C +21189 O O . GLY M 235 ? 0.8491 0.7534 0.7482 -0.0837 0.0989 0.0017 237 GLY O O +21190 N N . VAL M 236 ? 0.8064 0.7191 0.7115 -0.0784 0.0966 0.0001 238 VAL O N +21191 C CA . VAL M 236 ? 0.7988 0.7113 0.7023 -0.0798 0.1022 -0.0005 238 VAL O CA +21192 C C . VAL M 236 ? 0.8689 0.7758 0.7642 -0.0765 0.1021 0.0003 238 VAL O C +21193 O O . VAL M 236 ? 0.9109 0.8176 0.8052 -0.0730 0.0978 0.0006 238 VAL O O +21194 C CB . VAL M 236 ? 0.8540 0.7775 0.7687 -0.0807 0.1042 -0.0029 238 VAL O CB +21195 C CG1 . VAL M 236 ? 0.7122 0.6411 0.6350 -0.0839 0.1036 -0.0037 238 VAL O CG1 +21196 C CG2 . VAL M 236 ? 0.7988 0.7278 0.7181 -0.0765 0.1007 -0.0039 238 VAL O CG2 +21197 N N . PHE M 237 ? 0.8589 0.7612 0.7481 -0.0778 0.1070 0.0007 239 PHE O N +21198 C CA . PHE M 237 ? 0.7930 0.6898 0.6741 -0.0749 0.1074 0.0013 239 PHE O CA +21199 C C . PHE M 237 ? 0.9465 0.8461 0.8288 -0.0757 0.1129 0.0001 239 PHE O C +21200 O O . PHE M 237 ? 0.8241 0.7288 0.7124 -0.0789 0.1168 -0.0010 239 PHE O O +21201 C CB . PHE M 237 ? 0.8423 0.7275 0.7110 -0.0749 0.1072 0.0035 239 PHE O CB +21202 C CG . PHE M 237 ? 0.8939 0.7737 0.7572 -0.0785 0.1128 0.0042 239 PHE O CG +21203 C CD1 . PHE M 237 ? 0.9813 0.8607 0.8465 -0.0822 0.1140 0.0046 239 PHE O CD1 +21204 C CD2 . PHE M 237 ? 0.9117 0.7866 0.7676 -0.0781 0.1168 0.0046 239 PHE O CD2 +21205 C CE1 . PHE M 237 ? 0.9246 0.7986 0.7845 -0.0857 0.1193 0.0053 239 PHE O CE1 +21206 C CE2 . PHE M 237 ? 0.8858 0.7553 0.7362 -0.0814 0.1221 0.0053 239 PHE O CE2 +21207 C CZ . PHE M 237 ? 1.0014 0.8705 0.8540 -0.0853 0.1234 0.0057 239 PHE O CZ +21208 N N . TYR M 238 ? 0.9584 0.8549 0.8351 -0.0727 0.1131 0.0002 240 TYR O N +21209 C CA . TYR M 238 ? 0.8371 0.7348 0.7130 -0.0726 0.1180 -0.0008 240 TYR O CA +21210 C C . TYR M 238 ? 0.9745 0.8623 0.8380 -0.0704 0.1182 0.0006 240 TYR O C +21211 O O . TYR M 238 ? 0.8820 0.7657 0.7409 -0.0676 0.1135 0.0016 240 TYR O O +21212 C CB . TYR M 238 ? 0.8562 0.7636 0.7415 -0.0704 0.1172 -0.0029 240 TYR O CB +21213 C CG . TYR M 238 ? 0.9732 0.8810 0.8563 -0.0689 0.1211 -0.0038 240 TYR O CG +21214 C CD1 . TYR M 238 ? 0.9595 0.8624 0.8355 -0.0651 0.1193 -0.0034 240 TYR O CD1 +21215 C CD2 . TYR M 238 ? 1.0193 0.9329 0.9080 -0.0712 0.1265 -0.0053 240 TYR O CD2 +21216 C CE1 . TYR M 238 ? 0.8945 0.7977 0.7685 -0.0637 0.1228 -0.0044 240 TYR O CE1 +21217 C CE2 . TYR M 238 ? 0.8385 0.7527 0.7255 -0.0697 0.1301 -0.0063 240 TYR O CE2 +21218 C CZ . TYR M 238 ? 1.0259 0.9348 0.9054 -0.0659 0.1283 -0.0058 240 TYR O CZ +21219 O OH . TYR M 238 ? 0.9910 0.9003 0.8685 -0.0644 0.1320 -0.0068 240 TYR O OH +21220 N N . ALA M 239 ? 0.8927 0.7766 0.7506 -0.0718 0.1237 0.0008 241 ALA O N +21221 C CA . ALA M 239 ? 0.8873 0.7622 0.7334 -0.0695 0.1242 0.0019 241 ALA O CA +21222 C C . ALA M 239 ? 0.9830 0.8591 0.8281 -0.0698 0.1300 0.0008 241 ALA O C +21223 O O . ALA M 239 ? 0.9891 0.8694 0.8391 -0.0731 0.1348 0.0000 241 ALA O O +21224 C CB . ALA M 239 ? 0.8110 0.6752 0.6464 -0.0711 0.1245 0.0042 241 ALA O CB +21225 N N . SER M 240 ? 0.9096 0.7822 0.7487 -0.0665 0.1295 0.0008 242 SER O N +21226 C CA . SER M 240 ? 0.9137 0.7852 0.7492 -0.0665 0.1350 0.0001 242 SER O CA +21227 C C . SER M 240 ? 1.0172 0.8766 0.8383 -0.0659 0.1361 0.0019 242 SER O C +21228 O O . SER M 240 ? 0.8687 0.7225 0.6831 -0.0629 0.1318 0.0028 242 SER O O +21229 C CB . SER M 240 ? 0.8804 0.7579 0.7206 -0.0630 0.1340 -0.0017 242 SER O CB +21230 O OG . SER M 240 ? 1.2058 1.0772 1.0384 -0.0594 0.1298 -0.0010 242 SER O OG +21231 N N . ILE M 241 ? 0.9300 0.7853 0.7463 -0.0690 0.1420 0.0025 243 ILE O N +21232 C CA . ILE M 241 ? 1.1867 1.0302 0.9888 -0.0686 0.1440 0.0042 243 ILE O CA +21233 C C . ILE M 241 ? 1.0130 0.8563 0.8118 -0.0672 0.1482 0.0032 243 ILE O C +21234 O O . ILE M 241 ? 1.2092 1.0600 1.0157 -0.0686 0.1525 0.0015 243 ILE O O +21235 C CB . ILE M 241 ? 1.1680 1.0062 0.9659 -0.0729 0.1479 0.0056 243 ILE O CB +21236 C CG1 . ILE M 241 ? 1.0264 0.8664 0.8294 -0.0746 0.1440 0.0063 243 ILE O CG1 +21237 C CG2 . ILE M 241 ? 0.9932 0.8185 0.7757 -0.0723 0.1494 0.0076 243 ILE O CG2 +21238 C CD1 . ILE M 241 ? 1.1152 0.9557 0.9210 -0.0796 0.1483 0.0066 243 ILE O CD1 +21239 N N . GLU M 242 ? 1.0716 0.9065 0.8593 -0.0642 0.1470 0.0040 244 GLU O N +21240 C CA . GLU M 242 ? 1.0835 0.9166 0.8662 -0.0629 0.1513 0.0032 244 GLU O CA +21241 C C . GLU M 242 ? 1.1780 0.9983 0.9451 -0.0620 0.1520 0.0051 244 GLU O C +21242 O O . GLU M 242 ? 1.0295 0.8432 0.7903 -0.0609 0.1475 0.0066 244 GLU O O +21243 C CB . GLU M 242 ? 1.1157 0.9545 0.9031 -0.0590 0.1483 0.0014 244 GLU O CB +21244 C CG . GLU M 242 ? 1.1640 0.9981 0.9462 -0.0553 0.1415 0.0022 244 GLU O CG +21245 C CD . GLU M 242 ? 1.1415 0.9824 0.9305 -0.0520 0.1382 0.0003 244 GLU O CD +21246 O OE1 . GLU M 242 ? 1.1008 0.9509 0.8998 -0.0525 0.1406 -0.0014 244 GLU O OE1 +21247 O OE2 . GLU M 242 ? 1.2486 1.0858 1.0331 -0.0488 0.1331 0.0007 244 GLU O OE2 +21248 N N . PRO M 243 ? 1.3011 1.1174 1.0616 -0.0624 0.1578 0.0049 245 PRO O N +21249 C CA . PRO M 243 ? 1.2149 1.0188 0.9599 -0.0610 0.1584 0.0066 245 PRO O CA +21250 C C . PRO M 243 ? 1.1307 0.9318 0.8709 -0.0563 0.1530 0.0063 245 PRO O C +21251 O O . PRO M 243 ? 1.0863 0.8942 0.8332 -0.0540 0.1515 0.0045 245 PRO O O +21252 C CB . PRO M 243 ? 1.0878 0.8902 0.8291 -0.0626 0.1662 0.0061 245 PRO O CB +21253 C CG . PRO M 243 ? 1.2492 1.0638 1.0038 -0.0631 0.1684 0.0037 245 PRO O CG +21254 C CD . PRO M 243 ? 1.0616 0.8846 0.8284 -0.0643 0.1643 0.0033 245 PRO O CD +21255 N N . ALA M 244 ? 1.1588 0.9497 0.8874 -0.0548 0.1500 0.0080 246 ALA O N +21256 C CA . ALA M 244 ? 1.1613 0.9493 0.8854 -0.0505 0.1442 0.0079 246 ALA O CA +21257 C C . ALA M 244 ? 1.2964 1.0734 1.0055 -0.0486 0.1455 0.0087 246 ALA O C +21258 O O . ALA M 244 ? 1.4065 1.1818 1.1118 -0.0451 0.1424 0.0080 246 ALA O O +21259 C CB . ALA M 244 ? 1.2872 1.0743 1.0126 -0.0500 0.1376 0.0090 246 ALA O CB +21260 O OXT . ALA M 244 ? 1.3431 1.1125 1.0434 -0.0505 0.1496 0.0102 246 ALA O OXT +21261 N N . FME N 1 ? 0.6167 0.5504 0.5555 -0.0333 -0.0144 0.0132 1 FME T N +21262 C CN . FME N 1 ? 0.6492 0.5845 0.5901 -0.0341 -0.0137 0.0124 1 FME T CN +21263 O O1 . FME N 1 ? 0.7639 0.7018 0.7074 -0.0338 -0.0142 0.0120 1 FME T O1 +21264 C CA . FME N 1 ? 0.7262 0.6608 0.6656 -0.0322 -0.0157 0.0136 1 FME T CA +21265 C CB . FME N 1 ? 0.7409 0.6732 0.6776 -0.0316 -0.0160 0.0143 1 FME T CB +21266 C CG . FME N 1 ? 0.8471 0.7799 0.7836 -0.0304 -0.0169 0.0150 1 FME T CG +21267 S SD . FME N 1 ? 0.9666 0.8970 0.9003 -0.0297 -0.0168 0.0158 1 FME T SD +21268 C CE . FME N 1 ? 0.8584 0.7872 0.7905 -0.0299 -0.0169 0.0156 1 FME T CE +21269 C C . FME N 1 ? 0.7761 0.7124 0.7171 -0.0313 -0.0162 0.0137 1 FME T C +21270 O O . FME N 1 ? 0.6378 0.5757 0.5804 -0.0307 -0.0171 0.0136 1 FME T O +21271 N N . GLU N 2 ? 0.5878 0.5234 0.5281 -0.0311 -0.0156 0.0139 2 GLU T N +21272 C CA . GLU N 2 ? 0.6037 0.5404 0.5451 -0.0303 -0.0160 0.0141 2 GLU T CA +21273 C C . GLU N 2 ? 0.5857 0.5244 0.5295 -0.0305 -0.0158 0.0133 2 GLU T C +21274 O O . GLU N 2 ? 0.6204 0.5604 0.5656 -0.0297 -0.0165 0.0132 2 GLU T O +21275 C CB . GLU N 2 ? 0.5679 0.5030 0.5075 -0.0301 -0.0157 0.0145 2 GLU T CB +21276 C CG . GLU N 2 ? 0.6718 0.6061 0.6106 -0.0308 -0.0145 0.0142 2 GLU T CG +21277 C CD . GLU N 2 ? 0.8887 0.8209 0.8253 -0.0314 -0.0139 0.0144 2 GLU T CD +21278 O OE1 . GLU N 2 ? 0.7491 0.6799 0.6842 -0.0319 -0.0129 0.0143 2 GLU T OE1 +21279 O OE2 . GLU N 2 ? 0.7754 0.7070 0.7112 -0.0314 -0.0144 0.0146 2 GLU T OE2 +21280 N N . THR N 3 ? 0.6076 0.5465 0.5518 -0.0315 -0.0147 0.0127 3 THR T N +21281 C CA . THR N 3 ? 0.6298 0.5712 0.5769 -0.0317 -0.0144 0.0118 3 THR T CA +21282 C C . THR N 3 ? 0.6377 0.5810 0.5867 -0.0314 -0.0155 0.0113 3 THR T C +21283 O O . THR N 3 ? 0.6779 0.6232 0.6289 -0.0306 -0.0161 0.0110 3 THR T O +21284 C CB . THR N 3 ? 0.6900 0.6314 0.6373 -0.0331 -0.0129 0.0111 3 THR T CB +21285 O OG1 . THR N 3 ? 0.6761 0.6154 0.6211 -0.0332 -0.0118 0.0115 3 THR T OG1 +21286 C CG2 . THR N 3 ? 0.6405 0.5849 0.5911 -0.0332 -0.0125 0.0101 3 THR T CG2 +21287 N N . ILE N 4 ? 0.6096 0.5524 0.5580 -0.0319 -0.0159 0.0114 4 ILE T N +21288 C CA . ILE N 4 ? 0.5500 0.4943 0.4998 -0.0316 -0.0171 0.0110 4 ILE T CA +21289 C C . ILE N 4 ? 0.5856 0.5300 0.5351 -0.0300 -0.0183 0.0116 4 ILE T C +21290 O O . ILE N 4 ? 0.6375 0.5836 0.5887 -0.0292 -0.0193 0.0112 4 ILE T O +21291 C CB . ILE N 4 ? 0.5844 0.5275 0.5328 -0.0323 -0.0174 0.0110 4 ILE T CB +21292 C CG1 . ILE N 4 ? 0.6913 0.6344 0.6402 -0.0340 -0.0162 0.0102 4 ILE T CG1 +21293 C CG2 . ILE N 4 ? 0.5261 0.4704 0.4753 -0.0317 -0.0189 0.0107 4 ILE T CG2 +21294 C CD1 . ILE N 4 ? 0.6773 0.6182 0.6241 -0.0349 -0.0161 0.0103 4 ILE T CD1 +21295 N N . THR N 5 ? 0.5922 0.5346 0.5395 -0.0296 -0.0183 0.0126 5 THR T N +21296 C CA . THR N 5 ? 0.6552 0.5973 0.6021 -0.0284 -0.0192 0.0132 5 THR T CA +21297 C C . THR N 5 ? 0.7060 0.6492 0.6544 -0.0276 -0.0193 0.0130 5 THR T C +21298 O O . THR N 5 ? 0.5822 0.5262 0.5313 -0.0267 -0.0202 0.0129 5 THR T O +21299 C CB . THR N 5 ? 0.6728 0.6130 0.6175 -0.0282 -0.0190 0.0142 5 THR T CB +21300 O OG1 . THR N 5 ? 0.6315 0.5706 0.5747 -0.0286 -0.0190 0.0144 5 THR T OG1 +21301 C CG2 . THR N 5 ? 0.6783 0.6181 0.6226 -0.0272 -0.0197 0.0148 5 THR T CG2 +21302 N N . TYR N 6 ? 0.6218 0.5650 0.5705 -0.0280 -0.0183 0.0127 6 TYR T N +21303 C CA . TYR N 6 ? 0.6658 0.6097 0.6157 -0.0272 -0.0183 0.0124 6 TYR T CA +21304 C C . TYR N 6 ? 0.5349 0.4813 0.4873 -0.0268 -0.0188 0.0115 6 TYR T C +21305 O O . TYR N 6 ? 0.5926 0.5395 0.5457 -0.0256 -0.0196 0.0115 6 TYR T O +21306 C CB . TYR N 6 ? 0.5757 0.5191 0.5252 -0.0277 -0.0171 0.0122 6 TYR T CB +21307 C CG . TYR N 6 ? 0.6133 0.5545 0.5604 -0.0280 -0.0168 0.0130 6 TYR T CG +21308 C CD1 . TYR N 6 ? 0.6209 0.5609 0.5668 -0.0275 -0.0176 0.0138 6 TYR T CD1 +21309 C CD2 . TYR N 6 ? 0.5216 0.4617 0.4675 -0.0288 -0.0157 0.0129 6 TYR T CD2 +21310 C CE1 . TYR N 6 ? 0.5971 0.5355 0.5412 -0.0277 -0.0174 0.0144 6 TYR T CE1 +21311 C CE2 . TYR N 6 ? 0.5406 0.4788 0.4842 -0.0289 -0.0156 0.0136 6 TYR T CE2 +21312 C CZ . TYR N 6 ? 0.5947 0.5323 0.5377 -0.0284 -0.0165 0.0142 6 TYR T CZ +21313 O OH . TYR N 6 ? 0.6245 0.5605 0.5656 -0.0284 -0.0166 0.0147 6 TYR T OH +21314 N N . VAL N 7 ? 0.5949 0.5429 0.5487 -0.0277 -0.0183 0.0107 7 VAL T N +21315 C CA . VAL N 7 ? 0.5965 0.5473 0.5532 -0.0274 -0.0188 0.0097 7 VAL T CA +21316 C C . VAL N 7 ? 0.6328 0.5842 0.5896 -0.0265 -0.0205 0.0098 7 VAL T C +21317 O O . VAL N 7 ? 0.6301 0.5831 0.5885 -0.0253 -0.0214 0.0093 7 VAL T O +21318 C CB . VAL N 7 ? 0.6571 0.6096 0.6155 -0.0289 -0.0178 0.0088 7 VAL T CB +21319 C CG1 . VAL N 7 ? 0.6782 0.6341 0.6399 -0.0287 -0.0184 0.0075 7 VAL T CG1 +21320 C CG2 . VAL N 7 ? 0.5845 0.5362 0.5424 -0.0297 -0.0160 0.0087 7 VAL T CG2 +21321 N N . PHE N 8 ? 0.5788 0.5285 0.5336 -0.0269 -0.0209 0.0104 8 PHE T N +21322 C CA . PHE N 8 ? 0.5672 0.5169 0.5215 -0.0260 -0.0224 0.0106 8 PHE T CA +21323 C C . PHE N 8 ? 0.6343 0.5831 0.5877 -0.0244 -0.0232 0.0112 8 PHE T C +21324 O O . PHE N 8 ? 0.6214 0.5712 0.5756 -0.0232 -0.0244 0.0109 8 PHE T O +21325 C CB . PHE N 8 ? 0.6314 0.5791 0.5833 -0.0267 -0.0224 0.0112 8 PHE T CB +21326 C CG . PHE N 8 ? 0.6654 0.6124 0.6160 -0.0257 -0.0238 0.0116 8 PHE T CG +21327 C CD1 . PHE N 8 ? 0.7131 0.6615 0.6646 -0.0255 -0.0249 0.0109 8 PHE T CD1 +21328 C CD2 . PHE N 8 ? 0.6450 0.5899 0.5934 -0.0249 -0.0238 0.0128 8 PHE T CD2 +21329 C CE1 . PHE N 8 ? 0.8240 0.7714 0.7737 -0.0244 -0.0262 0.0113 8 PHE T CE1 +21330 C CE2 . PHE N 8 ? 0.8629 0.8069 0.8097 -0.0240 -0.0249 0.0132 8 PHE T CE2 +21331 C CZ . PHE N 8 ? 0.6971 0.6422 0.6444 -0.0237 -0.0260 0.0125 8 PHE T CZ +21332 N N . ILE N 9 ? 0.6131 0.5598 0.5648 -0.0243 -0.0225 0.0121 9 ILE T N +21333 C CA . ILE N 9 ? 0.5927 0.5381 0.5433 -0.0230 -0.0231 0.0128 9 ILE T CA +21334 C C . ILE N 9 ? 0.6546 0.6016 0.6072 -0.0220 -0.0234 0.0120 9 ILE T C +21335 O O . ILE N 9 ? 0.6017 0.5486 0.5542 -0.0206 -0.0244 0.0121 9 ILE T O +21336 C CB . ILE N 9 ? 0.6300 0.5732 0.5789 -0.0234 -0.0222 0.0137 9 ILE T CB +21337 C CG1 . ILE N 9 ? 0.6492 0.5911 0.5962 -0.0241 -0.0221 0.0144 9 ILE T CG1 +21338 C CG2 . ILE N 9 ? 0.5458 0.4876 0.4937 -0.0223 -0.0227 0.0142 9 ILE T CG2 +21339 C CD1 . ILE N 9 ? 0.6731 0.6134 0.6188 -0.0245 -0.0214 0.0151 9 ILE T CD1 +21340 N N . PHE N 10 ? 0.6157 0.5640 0.5700 -0.0226 -0.0223 0.0113 10 PHE T N +21341 C CA . PHE N 10 ? 0.5826 0.5327 0.5390 -0.0215 -0.0225 0.0105 10 PHE T CA +21342 C C . PHE N 10 ? 0.6532 0.6058 0.6115 -0.0207 -0.0238 0.0096 10 PHE T C +21343 O O . PHE N 10 ? 0.6338 0.5868 0.5927 -0.0190 -0.0247 0.0094 10 PHE T O +21344 C CB . PHE N 10 ? 0.5799 0.5312 0.5378 -0.0225 -0.0210 0.0098 10 PHE T CB +21345 C CG . PHE N 10 ? 0.5851 0.5387 0.5455 -0.0215 -0.0209 0.0087 10 PHE T CG +21346 C CD1 . PHE N 10 ? 0.6339 0.5864 0.5937 -0.0202 -0.0209 0.0089 10 PHE T CD1 +21347 C CD2 . PHE N 10 ? 0.6640 0.6210 0.6274 -0.0219 -0.0207 0.0076 10 PHE T CD2 +21348 C CE1 . PHE N 10 ? 0.6678 0.6224 0.6299 -0.0190 -0.0208 0.0079 10 PHE T CE1 +21349 C CE2 . PHE N 10 ? 0.6226 0.5822 0.5887 -0.0209 -0.0206 0.0065 10 PHE T CE2 +21350 C CZ . PHE N 10 ? 0.6547 0.6130 0.6201 -0.0193 -0.0206 0.0067 10 PHE T CZ +21351 N N . ALA N 11 ? 0.6133 0.5674 0.5727 -0.0217 -0.0239 0.0091 11 ALA T N +21352 C CA . ALA N 11 ? 0.6494 0.6062 0.6109 -0.0211 -0.0253 0.0082 11 ALA T CA +21353 C C . ALA N 11 ? 0.6952 0.6505 0.6547 -0.0195 -0.0269 0.0088 11 ALA T C +21354 O O . ALA N 11 ? 0.6552 0.6121 0.6159 -0.0180 -0.0283 0.0081 11 ALA T O +21355 C CB . ALA N 11 ? 0.6157 0.5738 0.5781 -0.0229 -0.0250 0.0075 11 ALA T CB +21356 N N . CYS N 12 ? 0.6255 0.5777 0.5818 -0.0198 -0.0269 0.0100 12 CYS T N +21357 C CA . CYS N 12 ? 0.5923 0.5427 0.5463 -0.0183 -0.0282 0.0107 12 CYS T CA +21358 C C . CYS N 12 ? 0.6421 0.5915 0.5957 -0.0165 -0.0286 0.0109 12 CYS T C +21359 O O . CYS N 12 ? 0.6099 0.5592 0.5629 -0.0149 -0.0301 0.0109 12 CYS T O +21360 C CB . CYS N 12 ? 0.5841 0.5314 0.5349 -0.0190 -0.0277 0.0120 12 CYS T CB +21361 S SG . CYS N 12 ? 0.6383 0.5859 0.5886 -0.0206 -0.0276 0.0118 12 CYS T SG +21362 N N . ILE N 13 ? 0.5641 0.5127 0.5178 -0.0168 -0.0274 0.0112 13 ILE T N +21363 C CA . ILE N 13 ? 0.6332 0.5805 0.5863 -0.0151 -0.0278 0.0114 13 ILE T CA +21364 C C . ILE N 13 ? 0.6323 0.5824 0.5879 -0.0136 -0.0287 0.0102 13 ILE T C +21365 O O . ILE N 13 ? 0.6208 0.5700 0.5755 -0.0116 -0.0300 0.0103 13 ILE T O +21366 C CB . ILE N 13 ? 0.5963 0.5422 0.5489 -0.0158 -0.0263 0.0117 13 ILE T CB +21367 C CG1 . ILE N 13 ? 0.6902 0.6332 0.6401 -0.0170 -0.0256 0.0130 13 ILE T CG1 +21368 C CG2 . ILE N 13 ? 0.6311 0.5758 0.5834 -0.0141 -0.0265 0.0117 13 ILE T CG2 +21369 C CD1 . ILE N 13 ? 0.6367 0.5787 0.5864 -0.0180 -0.0242 0.0132 13 ILE T CD1 +21370 N N . ILE N 14 ? 0.6454 0.5991 0.6044 -0.0144 -0.0282 0.0090 14 ILE T N +21371 C CA . ILE N 14 ? 0.7324 0.6897 0.6946 -0.0131 -0.0291 0.0076 14 ILE T CA +21372 C C . ILE N 14 ? 0.6607 0.6189 0.6228 -0.0120 -0.0311 0.0073 14 ILE T C +21373 O O . ILE N 14 ? 0.6693 0.6287 0.6324 -0.0099 -0.0325 0.0067 14 ILE T O +21374 C CB . ILE N 14 ? 0.7347 0.6956 0.7006 -0.0146 -0.0279 0.0064 14 ILE T CB +21375 C CG1 . ILE N 14 ? 0.6827 0.6423 0.6481 -0.0156 -0.0259 0.0067 14 ILE T CG1 +21376 C CG2 . ILE N 14 ? 0.6699 0.6350 0.6396 -0.0132 -0.0287 0.0048 14 ILE T CG2 +21377 C CD1 . ILE N 14 ? 0.6448 0.6029 0.6094 -0.0140 -0.0257 0.0069 14 ILE T CD1 +21378 N N . ALA N 15 ? 0.5827 0.5402 0.5435 -0.0132 -0.0314 0.0077 15 ALA T N +21379 C CA . ALA N 15 ? 0.6159 0.5735 0.5758 -0.0121 -0.0334 0.0076 15 ALA T CA +21380 C C . ALA N 15 ? 0.6227 0.5767 0.5789 -0.0100 -0.0344 0.0087 15 ALA T C +21381 O O . ALA N 15 ? 0.6980 0.6525 0.6540 -0.0081 -0.0362 0.0083 15 ALA T O +21382 C CB . ALA N 15 ? 0.5430 0.5001 0.5017 -0.0138 -0.0334 0.0078 15 ALA T CB +21383 N N . LEU N 16 ? 0.6784 0.6288 0.6319 -0.0105 -0.0332 0.0100 16 LEU T N +21384 C CA . LEU N 16 ? 0.6460 0.5925 0.5958 -0.0089 -0.0338 0.0112 16 LEU T CA +21385 C C . LEU N 16 ? 0.7241 0.6709 0.6746 -0.0067 -0.0346 0.0107 16 LEU T C +21386 O O . LEU N 16 ? 0.6096 0.5545 0.5578 -0.0046 -0.0360 0.0111 16 LEU T O +21387 C CB . LEU N 16 ? 0.6589 0.6019 0.6061 -0.0102 -0.0322 0.0126 16 LEU T CB +21388 C CG . LEU N 16 ? 0.8358 0.7744 0.7791 -0.0090 -0.0325 0.0138 16 LEU T CG +21389 C CD1 . LEU N 16 ? 0.7625 0.6999 0.7034 -0.0079 -0.0339 0.0142 16 LEU T CD1 +21390 C CD2 . LEU N 16 ? 0.8721 0.8079 0.8134 -0.0105 -0.0309 0.0150 16 LEU T CD2 +21391 N N . PHE N 17 ? 0.6078 0.5566 0.5611 -0.0069 -0.0336 0.0099 17 PHE T N +21392 C CA . PHE N 17 ? 0.6391 0.5886 0.5935 -0.0046 -0.0342 0.0093 17 PHE T CA +21393 C C . PHE N 17 ? 0.6065 0.5587 0.5624 -0.0027 -0.0364 0.0083 17 PHE T C +21394 O O . PHE N 17 ? 0.6705 0.6213 0.6250 -0.0001 -0.0377 0.0083 17 PHE T O +21395 C CB . PHE N 17 ? 0.6683 0.6208 0.6264 -0.0054 -0.0329 0.0082 17 PHE T CB +21396 C CG . PHE N 17 ? 0.6539 0.6038 0.6105 -0.0067 -0.0310 0.0090 17 PHE T CG +21397 C CD1 . PHE N 17 ? 0.6187 0.5640 0.5714 -0.0072 -0.0306 0.0105 17 PHE T CD1 +21398 C CD2 . PHE N 17 ? 0.5405 0.4927 0.4999 -0.0075 -0.0295 0.0081 17 PHE T CD2 +21399 C CE1 . PHE N 17 ? 0.6986 0.6418 0.6502 -0.0084 -0.0290 0.0110 17 PHE T CE1 +21400 C CE2 . PHE N 17 ? 0.6275 0.5772 0.5853 -0.0087 -0.0279 0.0087 17 PHE T CE2 +21401 C CZ . PHE N 17 ? 0.6759 0.6213 0.6300 -0.0091 -0.0278 0.0102 17 PHE T CZ +21402 N N . PHE N 18 ? 0.6397 0.5957 0.5984 -0.0038 -0.0369 0.0072 18 PHE T N +21403 C CA . PHE N 18 ? 0.6593 0.6186 0.6201 -0.0021 -0.0390 0.0060 18 PHE T CA +21404 C C . PHE N 18 ? 0.6596 0.6157 0.6163 -0.0003 -0.0409 0.0069 18 PHE T C +21405 O O . PHE N 18 ? 0.6453 0.6017 0.6018 0.0023 -0.0427 0.0064 18 PHE T O +21406 C CB . PHE N 18 ? 0.5736 0.5371 0.5378 -0.0042 -0.0389 0.0048 18 PHE T CB +21407 C CG . PHE N 18 ? 0.6666 0.6336 0.6330 -0.0029 -0.0412 0.0035 18 PHE T CG +21408 C CD1 . PHE N 18 ? 0.7524 0.7243 0.7234 -0.0018 -0.0419 0.0018 18 PHE T CD1 +21409 C CD2 . PHE N 18 ? 0.6186 0.5843 0.5825 -0.0029 -0.0427 0.0038 18 PHE T CD2 +21410 C CE1 . PHE N 18 ? 0.7012 0.6768 0.6745 -0.0006 -0.0442 0.0004 18 PHE T CE1 +21411 C CE2 . PHE N 18 ? 0.7338 0.7028 0.6997 -0.0017 -0.0451 0.0024 18 PHE T CE2 +21412 C CZ . PHE N 18 ? 0.6927 0.6667 0.6633 -0.0006 -0.0459 0.0007 18 PHE T CZ +21413 N N . PHE N 19 ? 0.5983 0.5510 0.5514 -0.0016 -0.0405 0.0081 19 PHE T N +21414 C CA . PHE N 19 ? 0.6902 0.6396 0.6391 -0.0001 -0.0420 0.0090 19 PHE T CA +21415 C C . PHE N 19 ? 0.6993 0.6441 0.6445 0.0018 -0.0420 0.0102 19 PHE T C +21416 O O . PHE N 19 ? 0.7041 0.6469 0.6465 0.0041 -0.0438 0.0105 19 PHE T O +21417 C CB . PHE N 19 ? 0.6669 0.6141 0.6132 -0.0021 -0.0413 0.0100 19 PHE T CB +21418 C CG . PHE N 19 ? 0.6625 0.6135 0.6115 -0.0035 -0.0419 0.0088 19 PHE T CG +21419 C CD1 . PHE N 19 ? 0.7844 0.7366 0.7331 -0.0023 -0.0441 0.0080 19 PHE T CD1 +21420 C CD2 . PHE N 19 ? 0.6957 0.6486 0.6473 -0.0061 -0.0402 0.0084 19 PHE T CD2 +21421 C CE1 . PHE N 19 ? 0.8164 0.7720 0.7677 -0.0037 -0.0446 0.0068 19 PHE T CE1 +21422 C CE2 . PHE N 19 ? 0.7067 0.6627 0.6607 -0.0074 -0.0406 0.0073 19 PHE T CE2 +21423 C CZ . PHE N 19 ? 0.6954 0.6527 0.6492 -0.0064 -0.0428 0.0065 19 PHE T CZ +21424 N N . ALA N 20 ? 0.6320 0.5749 0.5768 0.0009 -0.0401 0.0109 20 ALA T N +21425 C CA . ALA N 20 ? 0.6299 0.5681 0.5711 0.0024 -0.0399 0.0120 20 ALA T CA +21426 C C . ALA N 20 ? 0.6710 0.6105 0.6136 0.0053 -0.0413 0.0111 20 ALA T C +21427 O O . ALA N 20 ? 0.6219 0.5573 0.5608 0.0074 -0.0421 0.0118 20 ALA T O +21428 C CB . ALA N 20 ? 0.6698 0.6061 0.6108 0.0005 -0.0376 0.0127 20 ALA T CB +21429 N N . ILE N 21 ? 0.5907 0.5354 0.5383 0.0054 -0.0415 0.0094 21 ILE T N +21430 C CA . ILE N 21 ? 0.5956 0.5420 0.5448 0.0083 -0.0429 0.0084 21 ILE T CA +21431 C C . ILE N 21 ? 0.6522 0.6006 0.6017 0.0104 -0.0455 0.0076 21 ILE T C +21432 O O . ILE N 21 ? 0.6582 0.6042 0.6050 0.0133 -0.0471 0.0078 21 ILE T O +21433 C CB . ILE N 21 ? 0.6870 0.6383 0.6416 0.0076 -0.0417 0.0069 21 ILE T CB +21434 C CG1 . ILE N 21 ? 0.6108 0.5592 0.5643 0.0064 -0.0394 0.0077 21 ILE T CG1 +21435 C CG2 . ILE N 21 ? 0.6335 0.5882 0.5909 0.0107 -0.0433 0.0054 21 ILE T CG2 +21436 C CD1 . ILE N 21 ? 0.6265 0.5790 0.5844 0.0050 -0.0378 0.0065 21 ILE T CD1 +21437 N N . PHE N 22 ? 0.6226 0.5751 0.5749 0.0090 -0.0461 0.0066 22 PHE T N +21438 C CA . PHE N 22 ? 0.6992 0.6545 0.6525 0.0110 -0.0488 0.0055 22 PHE T CA +21439 C C . PHE N 22 ? 0.6506 0.6022 0.5990 0.0114 -0.0502 0.0066 22 PHE T C +21440 O O . PHE N 22 ? 0.7683 0.7207 0.7161 0.0137 -0.0527 0.0060 22 PHE T O +21441 C CB . PHE N 22 ? 0.7021 0.6642 0.6614 0.0094 -0.0490 0.0037 22 PHE T CB +21442 C CG . PHE N 22 ? 0.7203 0.6866 0.6846 0.0094 -0.0479 0.0024 22 PHE T CG +21443 C CD1 . PHE N 22 ? 0.7036 0.6723 0.6700 0.0124 -0.0494 0.0013 22 PHE T CD1 +21444 C CD2 . PHE N 22 ? 0.7036 0.6711 0.6702 0.0065 -0.0453 0.0024 22 PHE T CD2 +21445 C CE1 . PHE N 22 ? 0.7631 0.7358 0.7342 0.0125 -0.0482 0.0000 22 PHE T CE1 +21446 C CE2 . PHE N 22 ? 0.8268 0.7980 0.7978 0.0065 -0.0441 0.0012 22 PHE T CE2 +21447 C CZ . PHE N 22 ? 0.7728 0.7467 0.7461 0.0095 -0.0455 0.0000 22 PHE T CZ +21448 N N . PHE N 23 ? 0.6468 0.5945 0.5918 0.0093 -0.0486 0.0081 23 PHE T N +21449 C CA . PHE N 23 ? 0.6721 0.6160 0.6121 0.0096 -0.0496 0.0092 23 PHE T CA +21450 C C . PHE N 23 ? 0.6148 0.5521 0.5494 0.0096 -0.0482 0.0113 23 PHE T C +21451 O O . PHE N 23 ? 0.6745 0.6087 0.6057 0.0082 -0.0473 0.0125 23 PHE T O +21452 C CB . PHE N 23 ? 0.6697 0.6156 0.6109 0.0069 -0.0492 0.0089 23 PHE T CB +21453 C CG . PHE N 23 ? 0.8001 0.7518 0.7458 0.0071 -0.0509 0.0069 23 PHE T CG +21454 C CD1 . PHE N 23 ? 0.8631 0.8154 0.8076 0.0094 -0.0537 0.0062 23 PHE T CD1 +21455 C CD2 . PHE N 23 ? 0.7735 0.7300 0.7246 0.0049 -0.0498 0.0056 23 PHE T CD2 +21456 C CE1 . PHE N 23 ? 0.8666 0.8245 0.8156 0.0094 -0.0555 0.0042 23 PHE T CE1 +21457 C CE2 . PHE N 23 ? 0.8465 0.8085 0.8020 0.0048 -0.0513 0.0037 23 PHE T CE2 +21458 C CZ . PHE N 23 ? 0.9284 0.8913 0.8830 0.0070 -0.0542 0.0029 23 PHE T CZ +21459 N N A ARG N 24 ? 0.6506 0.5859 0.5844 0.0113 -0.0480 0.0116 24 ARG T N +21460 N N B ARG N 24 ? 0.6497 0.5851 0.5836 0.0113 -0.0479 0.0115 24 ARG T N +21461 C CA A ARG N 24 ? 0.6568 0.5856 0.5853 0.0117 -0.0470 0.0134 24 ARG T CA +21462 C CA B ARG N 24 ? 0.6558 0.5848 0.5845 0.0117 -0.0470 0.0134 24 ARG T CA +21463 C C A ARG N 24 ? 0.7262 0.6509 0.6494 0.0142 -0.0489 0.0142 24 ARG T C +21464 C C B ARG N 24 ? 0.7264 0.6513 0.6497 0.0142 -0.0489 0.0141 24 ARG T C +21465 O O A ARG N 24 ? 0.7040 0.6310 0.6278 0.0164 -0.0513 0.0132 24 ARG T O +21466 O O B ARG N 24 ? 0.7032 0.6304 0.6272 0.0162 -0.0513 0.0131 24 ARG T O +21467 C CB A ARG N 24 ? 0.6906 0.6184 0.6199 0.0128 -0.0463 0.0133 24 ARG T CB +21468 C CB B ARG N 24 ? 0.6908 0.6187 0.6201 0.0129 -0.0463 0.0133 24 ARG T CB +21469 C CG A ARG N 24 ? 0.7286 0.6580 0.6588 0.0164 -0.0485 0.0122 24 ARG T CG +21470 C CG B ARG N 24 ? 0.7290 0.6584 0.6593 0.0165 -0.0486 0.0122 24 ARG T CG +21471 C CD A ARG N 24 ? 0.7541 0.6809 0.6837 0.0179 -0.0478 0.0124 24 ARG T CD +21472 C CD B ARG N 24 ? 0.7549 0.6822 0.6849 0.0178 -0.0478 0.0122 24 ARG T CD +21473 N NE A ARG N 24 ? 0.7180 0.6463 0.6484 0.0215 -0.0500 0.0113 24 ARG T NE +21474 N NE B ARG N 24 ? 0.7183 0.6467 0.6489 0.0216 -0.0500 0.0113 24 ARG T NE +21475 C CZ A ARG N 24 ? 0.7733 0.6993 0.7028 0.0237 -0.0499 0.0113 24 ARG T CZ +21476 C CZ B ARG N 24 ? 0.7752 0.7015 0.7050 0.0236 -0.0499 0.0112 24 ARG T CZ +21477 N NH1 A ARG N 24 ? 0.6854 0.6075 0.6131 0.0224 -0.0478 0.0122 24 ARG T NH1 +21478 N NH1 B ARG N 24 ? 0.6846 0.6073 0.6129 0.0223 -0.0477 0.0121 24 ARG T NH1 +21479 N NH2 A ARG N 24 ? 0.7076 0.6353 0.6380 0.0272 -0.0521 0.0102 24 ARG T NH2 +21480 N NH2 B ARG N 24 ? 0.7067 0.6344 0.6371 0.0272 -0.0521 0.0102 24 ARG T NH2 +21481 N N A GLU N 25 ? 0.7375 0.6561 0.6553 0.0140 -0.0477 0.0160 25 GLU T N +21482 N N B GLU N 25 ? 0.7377 0.6564 0.6557 0.0140 -0.0478 0.0159 25 GLU T N +21483 C CA A GLU N 25 ? 0.8378 0.7511 0.7497 0.0166 -0.0492 0.0170 25 GLU T CA +21484 C CA B GLU N 25 ? 0.8357 0.7494 0.7479 0.0166 -0.0493 0.0169 25 GLU T CA +21485 C C A GLU N 25 ? 0.7853 0.6983 0.6976 0.0197 -0.0505 0.0164 25 GLU T C +21486 C C B GLU N 25 ? 0.7847 0.6973 0.6966 0.0197 -0.0505 0.0165 25 GLU T C +21487 O O A GLU N 25 ? 0.8365 0.7488 0.7501 0.0193 -0.0491 0.0164 25 GLU T O +21488 O O B GLU N 25 ? 0.8413 0.7518 0.7531 0.0194 -0.0490 0.0169 25 GLU T O +21489 C CB A GLU N 25 ? 0.8743 0.7809 0.7806 0.0154 -0.0473 0.0191 25 GLU T CB +21490 C CB B GLU N 25 ? 0.8702 0.7776 0.7769 0.0151 -0.0474 0.0190 25 GLU T CB +21491 C CG A GLU N 25 ? 0.8287 0.7359 0.7361 0.0118 -0.0448 0.0197 25 GLU T CG +21492 C CG B GLU N 25 ? 1.0402 0.9412 0.9403 0.0177 -0.0483 0.0202 25 GLU T CG +21493 C CD A GLU N 25 ? 0.8197 0.7206 0.7214 0.0108 -0.0433 0.0217 25 GLU T CD +21494 C CD B GLU N 25 ? 0.9918 0.8885 0.8867 0.0168 -0.0477 0.0217 25 GLU T CD +21495 O OE1 A GLU N 25 ? 0.8356 0.7336 0.7328 0.0121 -0.0443 0.0224 25 GLU T OE1 +21496 O OE1 B GLU N 25 ? 1.0633 0.9619 0.9578 0.0173 -0.0492 0.0212 25 GLU T OE1 +21497 O OE2 A GLU N 25 ? 0.5421 0.4411 0.4436 0.0088 -0.0411 0.0225 25 GLU T OE2 +21498 O OE2 B GLU N 25 ? 1.1097 1.0014 1.0009 0.0155 -0.0456 0.0233 25 GLU T OE2 +21499 N N . PRO N 26 ? 0.8269 0.7407 0.7384 0.0228 -0.0532 0.0156 26 PRO T N +21500 C CA . PRO N 26 ? 0.8003 0.7136 0.7119 0.0261 -0.0546 0.0150 26 PRO T CA +21501 C C . PRO N 26 ? 0.8565 0.7620 0.7619 0.0272 -0.0537 0.0168 26 PRO T C +21502 O O . PRO N 26 ? 0.8904 0.7904 0.7898 0.0271 -0.0536 0.0184 26 PRO T O +21503 C CB . PRO N 26 ? 0.9066 0.8221 0.8180 0.0291 -0.0579 0.0140 26 PRO T CB +21504 C CG . PRO N 26 ? 0.9307 0.8504 0.8445 0.0268 -0.0581 0.0134 26 PRO T CG +21505 C CD . PRO N 26 ? 0.9817 0.8977 0.8929 0.0234 -0.0553 0.0150 26 PRO T CD +21506 N N A PRO N 27 ? 0.7935 0.6979 0.6997 0.0281 -0.0530 0.0167 27 PRO T N +21507 N N B PRO N 27 ? 0.7921 0.6964 0.6983 0.0280 -0.0529 0.0167 27 PRO T N +21508 C CA A PRO N 27 ? 0.8370 0.7336 0.7370 0.0297 -0.0526 0.0182 27 PRO T CA +21509 C CA B PRO N 27 ? 0.8358 0.7323 0.7357 0.0297 -0.0526 0.0182 27 PRO T CA +21510 C C A PRO N 27 ? 0.9183 0.8126 0.8146 0.0340 -0.0555 0.0181 27 PRO T C +21511 C C B PRO N 27 ? 0.9183 0.8126 0.8146 0.0340 -0.0555 0.0181 27 PRO T C +21512 O O A PRO N 27 ? 0.9446 0.8439 0.8446 0.0365 -0.0577 0.0164 27 PRO T O +21513 O O B PRO N 27 ? 0.9451 0.8444 0.8451 0.0364 -0.0577 0.0164 27 PRO T O +21514 C CB A PRO N 27 ? 0.7989 0.6961 0.7017 0.0296 -0.0513 0.0176 27 PRO T CB +21515 C CB B PRO N 27 ? 0.7983 0.6954 0.7010 0.0296 -0.0512 0.0177 27 PRO T CB +21516 C CG A PRO N 27 ? 0.8677 0.7735 0.7781 0.0297 -0.0520 0.0155 27 PRO T CG +21517 C CG B PRO N 27 ? 0.8680 0.7736 0.7784 0.0294 -0.0518 0.0156 27 PRO T CG +21518 C CD A PRO N 27 ? 0.7882 0.6983 0.7009 0.0276 -0.0524 0.0151 27 PRO T CD +21519 C CD B PRO N 27 ? 0.7874 0.6972 0.7000 0.0273 -0.0521 0.0152 27 PRO T CD +21520 N N A ARG N 28 ? 0.9511 0.8381 0.8400 0.0348 -0.0555 0.0199 28 ARG T N +21521 N N B ARG N 28 ? 0.9521 0.8390 0.8409 0.0348 -0.0555 0.0199 28 ARG T N +21522 C CA A ARG N 28 ? 1.0062 0.8898 0.8902 0.0388 -0.0583 0.0201 28 ARG T CA +21523 C CA B ARG N 28 ? 1.0063 0.8898 0.8903 0.0389 -0.0583 0.0201 28 ARG T CA +21524 C C A ARG N 28 ? 0.9819 0.8567 0.8592 0.0404 -0.0576 0.0217 28 ARG T C +21525 C C B ARG N 28 ? 0.9816 0.8563 0.8587 0.0405 -0.0576 0.0217 28 ARG T C +21526 O O A ARG N 28 ? 0.9794 0.8486 0.8525 0.0380 -0.0552 0.0234 28 ARG T O +21527 O O B ARG N 28 ? 0.9799 0.8491 0.8530 0.0381 -0.0552 0.0234 28 ARG T O +21528 C CB A ARG N 28 ? 1.0003 0.8828 0.8809 0.0384 -0.0591 0.0208 28 ARG T CB +21529 C CB B ARG N 28 ? 0.9995 0.8819 0.8800 0.0384 -0.0592 0.0208 28 ARG T CB +21530 C CG A ARG N 28 ? 1.0115 0.9019 0.8979 0.0371 -0.0602 0.0191 28 ARG T CG +21531 C CG B ARG N 28 ? 1.0113 0.9017 0.8977 0.0372 -0.0603 0.0191 28 ARG T CG +21532 C CD A ARG N 28 ? 1.1369 1.0315 1.0254 0.0409 -0.0638 0.0174 28 ARG T CD +21533 C CD B ARG N 28 ? 1.1387 1.0330 1.0268 0.0410 -0.0639 0.0175 28 ARG T CD +21534 N NE A ARG N 28 ? 1.2052 1.1077 1.0997 0.0395 -0.0648 0.0157 28 ARG T NE +21535 N NE B ARG N 28 ? 1.2082 1.1104 1.1024 0.0396 -0.0649 0.0157 28 ARG T NE +21536 C CZ A ARG N 28 ? 1.0892 0.9992 0.9913 0.0392 -0.0652 0.0137 28 ARG T CZ +21537 C CZ B ARG N 28 ? 1.0896 0.9993 0.9914 0.0394 -0.0654 0.0138 28 ARG T CZ +21538 N NH1 A ARG N 28 ? 1.0148 0.9259 0.9197 0.0404 -0.0647 0.0131 28 ARG T NH1 +21539 N NH1 B ARG N 28 ? 1.0126 0.9233 0.9170 0.0407 -0.0650 0.0132 28 ARG T NH1 +21540 N NH2 A ARG N 28 ? 1.0871 1.0036 0.9942 0.0377 -0.0660 0.0123 28 ARG T NH2 +21541 N NH2 B ARG N 28 ? 1.0882 1.0045 0.9950 0.0378 -0.0661 0.0123 28 ARG T NH2 +21542 N N A ILE N 29 ? 1.0451 0.9186 0.9211 0.0445 -0.0596 0.0211 29 ILE T N +21543 N N B ILE N 29 ? 1.0452 0.9186 0.9211 0.0446 -0.0597 0.0211 29 ILE T N +21544 C CA A ILE N 29 ? 1.0803 0.9451 0.9498 0.0463 -0.0590 0.0225 29 ILE T CA +21545 C CA B ILE N 29 ? 1.0799 0.9447 0.9492 0.0465 -0.0592 0.0225 29 ILE T CA +21546 C C A ILE N 29 ? 1.2431 1.1005 1.1040 0.0477 -0.0598 0.0243 29 ILE T C +21547 C C B ILE N 29 ? 1.2453 1.1025 1.1060 0.0479 -0.0599 0.0243 29 ILE T C +21548 O O A ILE N 29 ? 1.1832 1.0423 1.0431 0.0496 -0.0622 0.0239 29 ILE T O +21549 O O B ILE N 29 ? 1.1812 1.0402 1.0410 0.0496 -0.0622 0.0240 29 ILE T O +21550 C CB A ILE N 29 ? 1.1112 0.9774 0.9824 0.0505 -0.0610 0.0212 29 ILE T CB +21551 C CB B ILE N 29 ? 1.1123 0.9785 0.9834 0.0507 -0.0611 0.0212 29 ILE T CB +21552 C CG1 A ILE N 29 ? 1.0448 0.9187 0.9245 0.0491 -0.0601 0.0194 29 ILE T CG1 +21553 C CG1 B ILE N 29 ? 1.0462 0.9205 0.9261 0.0493 -0.0603 0.0193 29 ILE T CG1 +21554 C CG2 A ILE N 29 ? 1.1726 1.0295 1.0371 0.0522 -0.0602 0.0226 29 ILE T CG2 +21555 C CG2 B ILE N 29 ? 1.1728 1.0300 1.0375 0.0523 -0.0603 0.0225 29 ILE T CG2 +21556 C CD1 A ILE N 29 ? 1.0708 0.9482 0.9537 0.0533 -0.0623 0.0176 29 ILE T CD1 +21557 C CD1 B ILE N 29 ? 1.0715 0.9490 0.9544 0.0535 -0.0625 0.0176 29 ILE T CD1 +21558 N N A THR N 30 ? 1.5413 1.3901 1.3958 0.0468 -0.0577 0.0263 30 THR T N +21559 N N B THR N 30 ? 1.5438 1.3924 1.3982 0.0470 -0.0579 0.0262 30 THR T N +21560 C CA A THR N 30 ? 1.7134 1.5533 1.5587 0.0488 -0.0584 0.0281 30 THR T CA +21561 C CA B THR N 30 ? 1.7169 1.5567 1.5620 0.0491 -0.0585 0.0281 30 THR T CA +21562 C C A THR N 30 ? 1.6634 1.4949 1.5034 0.0493 -0.0568 0.0294 30 THR T C +21563 C C B THR N 30 ? 1.6655 1.4969 1.5054 0.0495 -0.0569 0.0294 30 THR T C +21564 O O A THR N 30 ? 1.5313 1.3619 1.3730 0.0460 -0.0540 0.0298 30 THR T O +21565 O O B THR N 30 ? 1.5382 1.3694 1.3804 0.0464 -0.0543 0.0296 30 THR T O +21566 C CB A THR N 30 ? 1.7234 1.5608 1.5650 0.0459 -0.0569 0.0296 30 THR T CB +21567 C CB B THR N 30 ? 1.7247 1.5620 1.5662 0.0461 -0.0570 0.0296 30 THR T CB +21568 O OG1 A THR N 30 ? 1.7164 1.5570 1.5625 0.0411 -0.0539 0.0296 30 THR T OG1 +21569 O OG1 B THR N 30 ? 1.7191 1.5595 1.5651 0.0413 -0.0540 0.0297 30 THR T OG1 +21570 C CG2 A THR N 30 ? 1.7976 1.6394 1.6400 0.0474 -0.0595 0.0288 30 THR T CG2 +21571 C CG2 B THR N 30 ? 1.7987 1.6406 1.6411 0.0474 -0.0595 0.0287 30 THR T CG2 +21572 N N . LEU O 9 ? 1.1350 0.9683 0.9416 -0.0098 -0.0140 0.0225 9 LEU U N +21573 C CA . LEU O 9 ? 1.0451 0.8840 0.8581 -0.0117 -0.0133 0.0215 9 LEU U CA +21574 C C . LEU O 9 ? 0.8363 0.6772 0.6492 -0.0102 -0.0160 0.0206 9 LEU U C +21575 O O . LEU O 9 ? 1.1173 0.9618 0.9333 -0.0087 -0.0191 0.0201 9 LEU U O +21576 C CB . LEU O 9 ? 0.8578 0.7031 0.6795 -0.0129 -0.0137 0.0212 9 LEU U CB +21577 C CG . LEU O 9 ? 1.0334 0.8782 0.8569 -0.0152 -0.0105 0.0217 9 LEU U CG +21578 C CD1 . LEU O 9 ? 0.9979 0.8488 0.8295 -0.0161 -0.0112 0.0213 9 LEU U CD1 +21579 C CD2 . LEU O 9 ? 1.0764 0.9205 0.8996 -0.0174 -0.0074 0.0215 9 LEU U CD2 +21580 N N . VAL O 10 ? 0.9991 0.8376 0.8085 -0.0107 -0.0146 0.0203 10 VAL U N +21581 C CA . VAL O 10 ? 0.8151 0.6544 0.6232 -0.0093 -0.0170 0.0194 10 VAL U CA +21582 C C . VAL O 10 ? 0.8467 0.6872 0.6562 -0.0111 -0.0148 0.0187 10 VAL U C +21583 O O . VAL O 10 ? 0.7756 0.6134 0.5832 -0.0128 -0.0113 0.0192 10 VAL U O +21584 C CB . VAL O 10 ? 1.1148 0.9477 0.9137 -0.0068 -0.0184 0.0199 10 VAL U CB +21585 C CG1 . VAL O 10 ? 0.9725 0.8009 0.7652 -0.0069 -0.0169 0.0197 10 VAL U CG1 +21586 C CG2 . VAL O 10 ? 1.2266 1.0623 1.0268 -0.0043 -0.0228 0.0193 10 VAL U CG2 +21587 N N . ASN O 11 ? 0.7413 0.5859 0.5544 -0.0109 -0.0167 0.0176 11 ASN U N +21588 C CA . ASN O 11 ? 0.7347 0.5801 0.5486 -0.0122 -0.0151 0.0168 11 ASN U CA +21589 C C . ASN O 11 ? 0.8743 0.7137 0.6796 -0.0109 -0.0150 0.0168 11 ASN U C +21590 O O . ASN O 11 ? 0.8387 0.6771 0.6410 -0.0089 -0.0181 0.0164 11 ASN U O +21591 C CB . ASN O 11 ? 0.7202 0.5718 0.5410 -0.0124 -0.0173 0.0156 11 ASN U CB +21592 C CG . ASN O 11 ? 0.7652 0.6176 0.5869 -0.0135 -0.0159 0.0147 11 ASN U CG +21593 O OD1 . ASN O 11 ? 0.7289 0.5772 0.5446 -0.0130 -0.0153 0.0145 11 ASN U OD1 +21594 N ND2 . ASN O 11 ? 0.7357 0.5934 0.5647 -0.0150 -0.0153 0.0142 11 ASN U ND2 +21595 N N . VAL O 12 ? 0.6953 0.5305 0.4962 -0.0120 -0.0115 0.0173 12 VAL U N +21596 C CA . VAL O 12 ? 0.8262 0.6549 0.6179 -0.0107 -0.0112 0.0174 12 VAL U CA +21597 C C . VAL O 12 ? 0.8705 0.7001 0.6616 -0.0101 -0.0127 0.0161 12 VAL U C +21598 O O . VAL O 12 ? 0.8493 0.6745 0.6334 -0.0083 -0.0142 0.0160 12 VAL U O +21599 C CB . VAL O 12 ? 0.7899 0.6137 0.5769 -0.0122 -0.0067 0.0183 12 VAL U CB +21600 C CG1 . VAL O 12 ? 0.7363 0.5575 0.5222 -0.0127 -0.0054 0.0196 12 VAL U CG1 +21601 C CG2 . VAL O 12 ? 0.7534 0.5806 0.5455 -0.0145 -0.0037 0.0176 12 VAL U CG2 +21602 N N . VAL O 13 ? 0.8484 0.6836 0.6466 -0.0114 -0.0126 0.0151 13 VAL U N +21603 C CA . VAL O 13 ? 0.7335 0.5693 0.5310 -0.0108 -0.0140 0.0139 13 VAL U CA +21604 C C . VAL O 13 ? 0.7681 0.6056 0.5660 -0.0090 -0.0186 0.0132 13 VAL U C +21605 O O . VAL O 13 ? 0.7873 0.6218 0.5796 -0.0074 -0.0205 0.0126 13 VAL U O +21606 C CB . VAL O 13 ? 0.7870 0.6279 0.5916 -0.0127 -0.0125 0.0130 13 VAL U CB +21607 C CG1 . VAL O 13 ? 0.7047 0.5465 0.5091 -0.0120 -0.0145 0.0116 13 VAL U CG1 +21608 C CG2 . VAL O 13 ? 0.7776 0.6163 0.5807 -0.0143 -0.0079 0.0134 13 VAL U CG2 +21609 N N . ASP O 14 ? 0.7635 0.6060 0.5679 -0.0090 -0.0206 0.0132 14 ASP U N +21610 C CA . ASP O 14 ? 0.7724 0.6167 0.5773 -0.0072 -0.0249 0.0127 14 ASP U CA +21611 C C . ASP O 14 ? 0.8784 0.7170 0.6748 -0.0049 -0.0264 0.0132 14 ASP U C +21612 O O . ASP O 14 ? 0.7707 0.6086 0.5642 -0.0031 -0.0296 0.0124 14 ASP U O +21613 C CB . ASP O 14 ? 0.7664 0.6161 0.5786 -0.0076 -0.0262 0.0129 14 ASP U CB +21614 C CG . ASP O 14 ? 0.7063 0.5620 0.5268 -0.0095 -0.0257 0.0122 14 ASP U CG +21615 O OD1 . ASP O 14 ? 0.7684 0.6252 0.5898 -0.0097 -0.0267 0.0110 14 ASP U OD1 +21616 O OD2 . ASP O 14 ? 0.8071 0.6658 0.6329 -0.0106 -0.0245 0.0127 14 ASP U OD2 +21617 N N . GLU O 15 ? 0.7948 0.6291 0.5871 -0.0048 -0.0242 0.0146 15 GLU U N +21618 C CA . GLU O 15 ? 0.8747 0.7030 0.6585 -0.0025 -0.0253 0.0153 15 GLU U CA +21619 C C . GLU O 15 ? 0.8507 0.6739 0.6267 -0.0017 -0.0252 0.0148 15 GLU U C +21620 O O . GLU O 15 ? 0.8843 0.7050 0.6552 0.0006 -0.0282 0.0144 15 GLU U O +21621 C CB . GLU O 15 ? 0.9372 0.7616 0.7182 -0.0030 -0.0224 0.0169 15 GLU U CB +21622 C CG . GLU O 15 ? 1.2578 1.0755 1.0299 -0.0007 -0.0233 0.0178 15 GLU U CG +21623 C CD . GLU O 15 ? 1.4445 1.2591 1.2151 -0.0015 -0.0206 0.0193 15 GLU U CD +21624 O OE1 . GLU O 15 ? 1.3103 1.1204 1.0767 -0.0029 -0.0169 0.0200 15 GLU U OE1 +21625 O OE2 . GLU O 15 ? 1.6266 1.4436 1.4006 -0.0008 -0.0221 0.0197 15 GLU U OE2 +21626 N N . LYS O 16 ? 0.7941 0.6160 0.5694 -0.0035 -0.0217 0.0147 16 LYS U N +21627 C CA . LYS O 16 ? 0.8139 0.6311 0.5820 -0.0027 -0.0213 0.0142 16 LYS U CA +21628 C C . LYS O 16 ? 0.8213 0.6410 0.5904 -0.0015 -0.0252 0.0126 16 LYS U C +21629 O O . LYS O 16 ? 0.8179 0.6332 0.5798 0.0000 -0.0264 0.0121 16 LYS U O +21630 C CB . LYS O 16 ? 0.7307 0.5475 0.4996 -0.0050 -0.0170 0.0141 16 LYS U CB +21631 C CG . LYS O 16 ? 0.9696 0.7795 0.7292 -0.0044 -0.0149 0.0143 16 LYS U CG +21632 C CD . LYS O 16 ? 1.0051 0.8088 0.7579 -0.0041 -0.0128 0.0159 16 LYS U CD +21633 C CE . LYS O 16 ? 0.9420 0.7398 0.6876 -0.0047 -0.0089 0.0162 16 LYS U CE +21634 N NZ . LYS O 16 ? 0.9303 0.7204 0.6668 -0.0037 -0.0076 0.0177 16 LYS U NZ +21635 N N . LEU O 17 ? 0.8430 0.6697 0.6208 -0.0023 -0.0272 0.0117 17 LEU U N +21636 C CA . LEU O 17 ? 0.8585 0.6879 0.6379 -0.0015 -0.0309 0.0101 17 LEU U CA +21637 C C . LEU O 17 ? 0.8230 0.6509 0.5983 0.0012 -0.0350 0.0100 17 LEU U C +21638 O O . LEU O 17 ? 0.8885 0.7170 0.6627 0.0022 -0.0381 0.0086 17 LEU U O +21639 C CB . LEU O 17 ? 0.8091 0.6462 0.5989 -0.0031 -0.0318 0.0094 17 LEU U CB +21640 C CG . LEU O 17 ? 0.8853 0.7250 0.6801 -0.0055 -0.0287 0.0090 17 LEU U CG +21641 C CD1 . LEU O 17 ? 0.7154 0.5623 0.5200 -0.0067 -0.0301 0.0084 17 LEU U CD1 +21642 C CD2 . LEU O 17 ? 0.7533 0.5903 0.5440 -0.0054 -0.0285 0.0078 17 LEU U CD2 +21643 N N . GLY O 18 ? 0.7975 0.6237 0.5709 0.0024 -0.0352 0.0112 18 GLY U N +21644 C CA . GLY O 18 ? 0.7578 0.5822 0.5268 0.0052 -0.0391 0.0111 18 GLY U CA +21645 C C . GLY O 18 ? 0.9120 0.7282 0.6697 0.0072 -0.0389 0.0116 18 GLY U C +21646 O O . GLY O 18 ? 0.9308 0.7448 0.6839 0.0098 -0.0421 0.0116 18 GLY U O +21647 N N . THR O 19 ? 0.8489 0.6606 0.6019 0.0060 -0.0352 0.0120 19 THR U N +21648 C CA . THR O 19 ? 0.8429 0.6465 0.5848 0.0075 -0.0345 0.0124 19 THR U CA +21649 C C . THR O 19 ? 0.8862 0.6891 0.6258 0.0074 -0.0352 0.0109 19 THR U C +21650 O O . THR O 19 ? 0.9268 0.7354 0.6733 0.0063 -0.0366 0.0095 19 THR U O +21651 C CB . THR O 19 ? 0.8810 0.6792 0.6186 0.0062 -0.0295 0.0141 19 THR U CB +21652 O OG1 . THR O 19 ? 0.8749 0.6747 0.6156 0.0037 -0.0259 0.0137 19 THR U OG1 +21653 C CG2 . THR O 19 ? 0.7294 0.5294 0.4712 0.0056 -0.0284 0.0154 19 THR U CG2 +21654 N N . ALA O 20 ? 0.9274 0.7229 0.6569 0.0086 -0.0342 0.0112 20 ALA U N +21655 C CA . ALA O 20 ? 1.0311 0.8251 0.7571 0.0088 -0.0349 0.0098 20 ALA U CA +21656 C C . ALA O 20 ? 0.8566 0.6538 0.5883 0.0060 -0.0317 0.0091 20 ALA U C +21657 O O . ALA O 20 ? 0.9084 0.7067 0.6404 0.0059 -0.0329 0.0076 20 ALA U O +21658 C CB . ALA O 20 ? 1.0538 0.8387 0.7673 0.0106 -0.0339 0.0104 20 ALA U CB +21659 N N . TYR O 21 ? 0.9463 0.7450 0.6823 0.0039 -0.0277 0.0103 21 TYR U N +21660 C CA . TYR O 21 ? 0.8814 0.6842 0.6240 0.0014 -0.0248 0.0097 21 TYR U CA +21661 C C . TYR O 21 ? 0.8591 0.6691 0.6103 0.0008 -0.0280 0.0081 21 TYR U C +21662 O O . TYR O 21 ? 0.8487 0.6608 0.6029 -0.0004 -0.0270 0.0070 21 TYR U O +21663 C CB . TYR O 21 ? 0.8951 0.6995 0.6422 -0.0006 -0.0209 0.0111 21 TYR U CB +21664 C CG . TYR O 21 ? 0.9274 0.7372 0.6829 -0.0031 -0.0185 0.0104 21 TYR U CG +21665 C CD1 . TYR O 21 ? 0.9632 0.7803 0.7284 -0.0040 -0.0204 0.0099 21 TYR U CD1 +21666 C CD2 . TYR O 21 ? 0.8655 0.6733 0.6192 -0.0044 -0.0143 0.0104 21 TYR U CD2 +21667 C CE1 . TYR O 21 ? 0.8284 0.6502 0.6010 -0.0060 -0.0184 0.0093 21 TYR U CE1 +21668 C CE2 . TYR O 21 ? 0.8116 0.6244 0.5729 -0.0064 -0.0123 0.0098 21 TYR U CE2 +21669 C CZ . TYR O 21 ? 0.8947 0.7144 0.6653 -0.0072 -0.0144 0.0093 21 TYR U CZ +21670 O OH . TYR O 21 ? 0.8994 0.7237 0.6771 -0.0090 -0.0124 0.0087 21 TYR U OH +21671 N N . GLY O 22 ? 0.8767 0.6904 0.6318 0.0018 -0.0316 0.0080 22 GLY U N +21672 C CA . GLY O 22 ? 0.8503 0.6705 0.6132 0.0012 -0.0346 0.0066 22 GLY U CA +21673 C C . GLY O 22 ? 0.9267 0.7461 0.6864 0.0025 -0.0383 0.0049 22 GLY U C +21674 O O . GLY O 22 ? 0.9254 0.7501 0.6913 0.0020 -0.0412 0.0036 22 GLY U O +21675 N N . GLU O 23 ? 0.9300 0.7428 0.6800 0.0041 -0.0384 0.0048 23 GLU U N +21676 C CA . GLU O 23 ? 1.0677 0.8796 0.8143 0.0053 -0.0420 0.0030 23 GLU U CA +21677 C C . GLU O 23 ? 0.8421 0.6478 0.5805 0.0056 -0.0401 0.0025 23 GLU U C +21678 O O . GLU O 23 ? 0.9365 0.7422 0.6735 0.0060 -0.0425 0.0008 23 GLU U O +21679 C CB . GLU O 23 ? 1.0001 0.8108 0.7428 0.0079 -0.0464 0.0029 23 GLU U CB +21680 C CG . GLU O 23 ? 1.1669 0.9720 0.9025 0.0096 -0.0451 0.0047 23 GLU U CG +21681 C CD . GLU O 23 ? 1.6636 1.4669 1.3942 0.0126 -0.0497 0.0044 23 GLU U CD +21682 O OE1 . GLU O 23 ? 1.7369 1.5373 1.4617 0.0140 -0.0522 0.0031 23 GLU U OE1 +21683 O OE2 . GLU O 23 ? 1.5860 1.3908 1.3185 0.0136 -0.0510 0.0053 23 GLU U OE2 +21684 N N . LYS O 24 ? 0.8630 0.6637 0.5960 0.0054 -0.0359 0.0039 24 LYS U N +21685 C CA . LYS O 24 ? 0.9481 0.7431 0.6734 0.0056 -0.0337 0.0034 24 LYS U CA +21686 C C . LYS O 24 ? 0.8467 0.6417 0.5743 0.0034 -0.0281 0.0042 24 LYS U C +21687 O O . LYS O 24 ? 0.8966 0.6956 0.6311 0.0019 -0.0262 0.0052 24 LYS U O +21688 C CB . LYS O 24 ? 0.9913 0.7784 0.7049 0.0080 -0.0342 0.0042 24 LYS U CB +21689 C CG . LYS O 24 ? 1.0730 0.8605 0.7847 0.0104 -0.0398 0.0035 24 LYS U CG +21690 C CD . LYS O 24 ? 1.0957 0.8753 0.7953 0.0129 -0.0410 0.0035 24 LYS U CD +21691 C CE . LYS O 24 ? 1.4067 1.1875 1.1051 0.0152 -0.0470 0.0024 24 LYS U CE +21692 N NZ . LYS O 24 ? 1.6849 1.4579 1.3711 0.0179 -0.0486 0.0022 24 LYS U NZ +21693 N N . ILE O 25 ? 0.8785 0.6689 0.6000 0.0034 -0.0255 0.0038 25 ILE U N +21694 C CA . ILE O 25 ? 0.8869 0.6766 0.6093 0.0016 -0.0201 0.0046 25 ILE U CA +21695 C C . ILE O 25 ? 0.8849 0.6694 0.6012 0.0020 -0.0173 0.0065 25 ILE U C +21696 O O . ILE O 25 ? 0.9711 0.7488 0.6774 0.0037 -0.0175 0.0069 25 ILE U O +21697 C CB . ILE O 25 ? 0.9725 0.7591 0.6907 0.0015 -0.0181 0.0034 25 ILE U CB +21698 C CG1 . ILE O 25 ? 0.9451 0.7366 0.6694 0.0010 -0.0209 0.0014 25 ILE U CG1 +21699 C CG2 . ILE O 25 ? 0.8263 0.6123 0.5453 -0.0002 -0.0123 0.0042 25 ILE U CG2 +21700 C CD1 . ILE O 25 ? 0.9182 0.7060 0.6369 0.0016 -0.0204 -0.0001 25 ILE U CD1 +21701 N N . ASP O 26 ? 0.8846 0.6723 0.6068 0.0005 -0.0150 0.0077 26 ASP U N +21702 C CA . ASP O 26 ? 0.8306 0.6139 0.5482 0.0003 -0.0119 0.0096 26 ASP U CA +21703 C C . ASP O 26 ? 0.9301 0.7107 0.6451 -0.0012 -0.0065 0.0099 26 ASP U C +21704 O O . ASP O 26 ? 0.8468 0.6322 0.5693 -0.0032 -0.0039 0.0095 26 ASP U O +21705 C CB . ASP O 26 ? 0.8514 0.6397 0.5771 -0.0008 -0.0120 0.0106 26 ASP U CB +21706 C CG . ASP O 26 ? 0.9139 0.6980 0.6356 -0.0011 -0.0091 0.0125 26 ASP U CG +21707 O OD1 . ASP O 26 ? 0.9591 0.7365 0.6724 -0.0010 -0.0059 0.0132 26 ASP U OD1 +21708 O OD2 . ASP O 26 ? 0.8330 0.6204 0.5600 -0.0016 -0.0099 0.0133 26 ASP U OD2 +21709 N N . LEU O 27 ? 0.8752 0.6480 0.5795 -0.0001 -0.0047 0.0104 27 LEU U N +21710 C CA . LEU O 27 ? 0.8675 0.6373 0.5685 -0.0013 0.0006 0.0106 27 LEU U CA +21711 C C . LEU O 27 ? 0.8717 0.6434 0.5775 -0.0037 0.0050 0.0119 27 LEU U C +21712 O O . LEU O 27 ? 0.8116 0.5837 0.5186 -0.0053 0.0094 0.0118 27 LEU U O +21713 C CB . LEU O 27 ? 0.8223 0.5829 0.5103 0.0003 0.0016 0.0111 27 LEU U CB +21714 C CG . LEU O 27 ? 0.9693 0.7269 0.6510 0.0029 -0.0028 0.0098 27 LEU U CG +21715 C CD1 . LEU O 27 ? 0.9483 0.6964 0.6166 0.0045 -0.0014 0.0105 27 LEU U CD1 +21716 C CD2 . LEU O 27 ? 0.8690 0.6307 0.5554 0.0024 -0.0036 0.0078 27 LEU U CD2 +21717 N N . ASN O 28 ? 0.7909 0.5638 0.4993 -0.0038 0.0037 0.0130 28 ASN U N +21718 C CA . ASN O 28 ? 0.9214 0.6958 0.6340 -0.0060 0.0075 0.0143 28 ASN U CA +21719 C C . ASN O 28 ? 0.8960 0.6793 0.6211 -0.0079 0.0074 0.0137 28 ASN U C +21720 O O . ASN O 28 ? 0.9377 0.7231 0.6672 -0.0100 0.0111 0.0144 28 ASN U O +21721 C CB . ASN O 28 ? 0.8950 0.6654 0.6033 -0.0052 0.0066 0.0159 28 ASN U CB +21722 C CG . ASN O 28 ? 1.0159 0.7766 0.7113 -0.0040 0.0084 0.0169 28 ASN U CG +21723 O OD1 . ASN O 28 ? 0.9109 0.6683 0.6014 -0.0043 0.0114 0.0166 28 ASN U OD1 +21724 N ND2 . ASN O 28 ? 0.8804 0.6366 0.5704 -0.0026 0.0067 0.0182 28 ASN U ND2 +21725 N N . ASN O 29 ? 0.8364 0.6248 0.5672 -0.0071 0.0033 0.0125 29 ASN U N +21726 C CA . ASN O 29 ? 0.7924 0.5887 0.5345 -0.0087 0.0027 0.0122 29 ASN U CA +21727 C C . ASN O 29 ? 0.8315 0.6332 0.5799 -0.0088 0.0010 0.0106 29 ASN U C +21728 O O . ASN O 29 ? 0.8269 0.6344 0.5839 -0.0105 0.0023 0.0103 29 ASN U O +21729 C CB . ASN O 29 ? 0.7579 0.5561 0.5027 -0.0079 -0.0009 0.0129 29 ASN U CB +21730 C CG . ASN O 29 ? 0.8744 0.6688 0.6157 -0.0082 0.0011 0.0147 29 ASN U CG +21731 O OD1 . ASN O 29 ? 0.7975 0.5938 0.5429 -0.0103 0.0045 0.0153 29 ASN U OD1 +21732 N ND2 . ASN O 29 ? 0.8096 0.5983 0.5429 -0.0062 -0.0009 0.0154 29 ASN U ND2 +21733 N N . THR O 30 ? 0.8326 0.6324 0.5769 -0.0072 -0.0018 0.0094 30 THR U N +21734 C CA . THR O 30 ? 0.8394 0.6444 0.5901 -0.0073 -0.0041 0.0078 30 THR U CA +21735 C C . THR O 30 ? 0.8714 0.6781 0.6250 -0.0087 -0.0005 0.0070 30 THR U C +21736 O O . THR O 30 ? 0.8462 0.6486 0.5939 -0.0088 0.0030 0.0072 30 THR U O +21737 C CB . THR O 30 ? 0.8597 0.6619 0.6048 -0.0053 -0.0082 0.0067 30 THR U CB +21738 O OG1 . THR O 30 ? 0.8296 0.6307 0.5725 -0.0039 -0.0116 0.0074 30 THR U OG1 +21739 C CG2 . THR O 30 ? 0.8037 0.6111 0.5554 -0.0056 -0.0108 0.0051 30 THR U CG2 +21740 N N . ASN O 31 ? 0.7568 0.5699 0.5194 -0.0097 -0.0012 0.0063 31 ASN U N +21741 C CA . ASN O 31 ? 0.7175 0.5328 0.4837 -0.0107 0.0016 0.0053 31 ASN U CA +21742 C C . ASN O 31 ? 0.7988 0.6102 0.5586 -0.0095 0.0012 0.0040 31 ASN U C +21743 O O . ASN O 31 ? 0.7745 0.5839 0.5306 -0.0081 -0.0025 0.0033 31 ASN U O +21744 C CB . ASN O 31 ? 0.7708 0.5933 0.5473 -0.0117 -0.0001 0.0047 31 ASN U CB +21745 C CG . ASN O 31 ? 0.7397 0.5646 0.5199 -0.0123 0.0019 0.0035 31 ASN U CG +21746 O OD1 . ASN O 31 ? 0.8090 0.6333 0.5880 -0.0115 -0.0001 0.0022 31 ASN U OD1 +21747 N ND2 . ASN O 31 ? 0.6791 0.5067 0.4637 -0.0136 0.0057 0.0039 31 ASN U ND2 +21748 N N . ILE O 32 ? 0.7791 0.5895 0.5379 -0.0100 0.0052 0.0036 32 ILE U N +21749 C CA . ILE O 32 ? 0.7957 0.6014 0.5472 -0.0088 0.0057 0.0024 32 ILE U CA +21750 C C . ILE O 32 ? 0.9945 0.8017 0.7477 -0.0080 0.0021 0.0007 32 ILE U C +21751 O O . ILE O 32 ? 0.8433 0.6459 0.5894 -0.0067 0.0009 -0.0002 32 ILE U O +21752 C CB . ILE O 32 ? 0.9295 0.7348 0.6809 -0.0097 0.0111 0.0023 32 ILE U CB +21753 C CG1 . ILE O 32 ? 0.7569 0.5560 0.4988 -0.0083 0.0124 0.0015 32 ILE U CG1 +21754 C CG2 . ILE O 32 ? 0.7773 0.5891 0.5382 -0.0107 0.0119 0.0014 32 ILE U CG2 +21755 C CD1 . ILE O 32 ? 0.8059 0.6042 0.5470 -0.0091 0.0180 0.0015 32 ILE U CD1 +21756 N N . ALA O 33 ? 0.8185 0.6317 0.5806 -0.0089 0.0002 0.0003 33 ALA U N +21757 C CA . ALA O 33 ? 0.8619 0.6763 0.6255 -0.0083 -0.0032 -0.0013 33 ALA U CA +21758 C C . ALA O 33 ? 0.8296 0.6416 0.5888 -0.0071 -0.0079 -0.0017 33 ALA U C +21759 O O . ALA O 33 ? 0.9104 0.7217 0.6684 -0.0065 -0.0106 -0.0032 33 ALA U O +21760 C CB . ALA O 33 ? 0.7247 0.5457 0.4985 -0.0095 -0.0042 -0.0017 33 ALA U CB +21761 N N . ALA O 34 ? 0.8384 0.6491 0.5952 -0.0067 -0.0090 -0.0004 34 ALA U N +21762 C CA . ALA O 34 ? 0.8550 0.6636 0.6074 -0.0053 -0.0135 -0.0008 34 ALA U CA +21763 C C . ALA O 34 ? 0.9446 0.7465 0.6869 -0.0037 -0.0138 -0.0017 34 ALA U C +21764 O O . ALA O 34 ? 0.8198 0.6203 0.5589 -0.0026 -0.0179 -0.0026 34 ALA U O +21765 C CB . ALA O 34 ? 0.8212 0.6293 0.5726 -0.0049 -0.0144 0.0008 34 ALA U CB +21766 N N . PHE O 35 ? 0.7739 0.5719 0.5111 -0.0037 -0.0096 -0.0015 35 PHE U N +21767 C CA . PHE O 35 ? 0.8227 0.6140 0.5496 -0.0020 -0.0099 -0.0023 35 PHE U CA +21768 C C . PHE O 35 ? 0.9577 0.7490 0.6845 -0.0017 -0.0119 -0.0044 35 PHE U C +21769 O O . PHE O 35 ? 0.8904 0.6762 0.6087 -0.0003 -0.0128 -0.0053 35 PHE U O +21770 C CB . PHE O 35 ? 0.7676 0.5545 0.4887 -0.0021 -0.0045 -0.0015 35 PHE U CB +21771 C CG . PHE O 35 ? 0.9115 0.6961 0.6296 -0.0022 -0.0028 0.0005 35 PHE U CG +21772 C CD1 . PHE O 35 ? 0.8774 0.6663 0.6027 -0.0038 -0.0005 0.0018 35 PHE U CD1 +21773 C CD2 . PHE O 35 ? 0.8245 0.6025 0.5325 -0.0005 -0.0038 0.0011 35 PHE U CD2 +21774 C CE1 . PHE O 35 ? 0.8658 0.6524 0.5882 -0.0040 0.0011 0.0036 35 PHE U CE1 +21775 C CE2 . PHE O 35 ? 0.8585 0.6340 0.5634 -0.0006 -0.0022 0.0030 35 PHE U CE2 +21776 C CZ . PHE O 35 ? 0.8605 0.6402 0.5726 -0.0024 0.0002 0.0042 35 PHE U CZ +21777 N N . ILE O 36 ? 0.8919 0.6888 0.6276 -0.0029 -0.0127 -0.0052 36 ILE U N +21778 C CA . ILE O 36 ? 0.8605 0.6576 0.5968 -0.0028 -0.0147 -0.0072 36 ILE U CA +21779 C C . ILE O 36 ? 0.8563 0.6529 0.5906 -0.0019 -0.0202 -0.0082 36 ILE U C +21780 O O . ILE O 36 ? 0.9514 0.7465 0.6837 -0.0015 -0.0223 -0.0100 36 ILE U O +21781 C CB . ILE O 36 ? 0.9440 0.7473 0.6905 -0.0044 -0.0135 -0.0074 36 ILE U CB +21782 C CG1 . ILE O 36 ? 0.8587 0.6617 0.6057 -0.0049 -0.0080 -0.0069 36 ILE U CG1 +21783 C CG2 . ILE O 36 ? 0.8197 0.6244 0.5689 -0.0046 -0.0164 -0.0094 36 ILE U CG2 +21784 C CD1 . ILE O 36 ? 0.9459 0.7554 0.7033 -0.0064 -0.0065 -0.0066 36 ILE U CD1 +21785 N N . GLN O 37 ? 0.8649 0.6626 0.5996 -0.0016 -0.0227 -0.0071 37 GLN U N +21786 C CA . GLN O 37 ? 0.9307 0.7290 0.6648 -0.0008 -0.0281 -0.0081 37 GLN U CA +21787 C C . GLN O 37 ? 0.8825 0.6742 0.6059 0.0011 -0.0300 -0.0091 37 GLN U C +21788 O O . GLN O 37 ? 0.9614 0.7534 0.6840 0.0018 -0.0347 -0.0103 37 GLN U O +21789 C CB . GLN O 37 ? 0.9226 0.7235 0.6595 -0.0006 -0.0299 -0.0067 37 GLN U CB +21790 C CG . GLN O 37 ? 1.1859 0.9933 0.9330 -0.0023 -0.0290 -0.0058 37 GLN U CG +21791 C CD . GLN O 37 ? 1.2887 1.0979 1.0374 -0.0019 -0.0306 -0.0044 37 GLN U CD +21792 O OE1 . GLN O 37 ? 1.7392 1.5519 1.4917 -0.0018 -0.0346 -0.0048 37 GLN U OE1 +21793 N NE2 . GLN O 37 ? 1.1957 1.0024 0.9412 -0.0016 -0.0275 -0.0026 37 GLN U NE2 +21794 N N . TYR O 38 ? 0.8867 0.6726 0.6020 0.0020 -0.0267 -0.0086 38 TYR U N +21795 C CA . TYR O 38 ? 0.9006 0.6798 0.6051 0.0040 -0.0282 -0.0094 38 TYR U CA +21796 C C . TYR O 38 ? 1.0208 0.7957 0.7202 0.0041 -0.0246 -0.0102 38 TYR U C +21797 O O . TYR O 38 ? 0.9731 0.7495 0.6760 0.0030 -0.0201 -0.0095 38 TYR U O +21798 C CB . TYR O 38 ? 0.9334 0.7085 0.6310 0.0054 -0.0281 -0.0077 38 TYR U CB +21799 C CG . TYR O 38 ? 1.0278 0.8073 0.7307 0.0055 -0.0316 -0.0070 38 TYR U CG +21800 C CD1 . TYR O 38 ? 0.9212 0.7025 0.6249 0.0062 -0.0372 -0.0084 38 TYR U CD1 +21801 C CD2 . TYR O 38 ? 0.9151 0.6972 0.6225 0.0047 -0.0295 -0.0050 38 TYR U CD2 +21802 C CE1 . TYR O 38 ? 0.9815 0.7671 0.6904 0.0063 -0.0404 -0.0078 38 TYR U CE1 +21803 C CE2 . TYR O 38 ? 0.8724 0.6586 0.5846 0.0048 -0.0327 -0.0044 38 TYR U CE2 +21804 C CZ . TYR O 38 ? 1.0364 0.8244 0.7494 0.0057 -0.0381 -0.0058 38 TYR U CZ +21805 O OH . TYR O 38 ? 1.0753 0.8676 0.7933 0.0059 -0.0413 -0.0054 38 TYR U OH +21806 N N . ARG O 39 ? 0.8814 0.6513 0.5727 0.0055 -0.0267 -0.0117 39 ARG U N +21807 C CA . ARG O 39 ? 0.9074 0.6731 0.5936 0.0058 -0.0236 -0.0127 39 ARG U CA +21808 C C . ARG O 39 ? 0.8591 0.6200 0.5386 0.0063 -0.0185 -0.0112 39 ARG U C +21809 O O . ARG O 39 ? 0.9699 0.7272 0.6433 0.0074 -0.0186 -0.0099 39 ARG U O +21810 C CB . ARG O 39 ? 1.0152 0.7764 0.6939 0.0072 -0.0275 -0.0148 39 ARG U CB +21811 C CG . ARG O 39 ? 1.1923 0.9497 0.8667 0.0075 -0.0249 -0.0162 39 ARG U CG +21812 C CD . ARG O 39 ? 1.2004 0.9526 0.8663 0.0090 -0.0288 -0.0183 39 ARG U CD +21813 N NE . ARG O 39 ? 1.1731 0.9292 0.8438 0.0086 -0.0346 -0.0195 39 ARG U NE +21814 C CZ . ARG O 39 ? 1.2128 0.9729 0.8907 0.0072 -0.0363 -0.0210 39 ARG U CZ +21815 N NH1 . ARG O 39 ? 1.0484 0.8092 0.7293 0.0062 -0.0330 -0.0216 39 ARG U NH1 +21816 N NH2 . ARG O 39 ? 1.1489 0.9125 0.8309 0.0067 -0.0415 -0.0220 39 ARG U NH2 +21817 N N . GLY O 40 ? 0.9134 0.6743 0.5942 0.0056 -0.0139 -0.0114 40 GLY U N +21818 C CA . GLY O 40 ? 0.8676 0.6233 0.5410 0.0061 -0.0088 -0.0105 40 GLY U CA +21819 C C . GLY O 40 ? 0.9220 0.6797 0.5988 0.0050 -0.0047 -0.0083 40 GLY U C +21820 O O . GLY O 40 ? 0.9554 0.7093 0.6269 0.0051 0.0000 -0.0075 40 GLY U O +21821 N N . LEU O 41 ? 0.8529 0.6164 0.5383 0.0038 -0.0061 -0.0073 41 LEU U N +21822 C CA . LEU O 41 ? 0.8370 0.6020 0.5251 0.0028 -0.0028 -0.0052 41 LEU U CA +21823 C C . LEU O 41 ? 0.9403 0.7106 0.6371 0.0010 0.0014 -0.0049 41 LEU U C +21824 O O . LEU O 41 ? 0.9679 0.7381 0.6649 0.0001 0.0056 -0.0035 41 LEU U O +21825 C CB . LEU O 41 ? 0.7899 0.5581 0.4821 0.0027 -0.0066 -0.0042 41 LEU U CB +21826 C CG . LEU O 41 ? 1.0330 0.7964 0.7169 0.0047 -0.0107 -0.0041 41 LEU U CG +21827 C CD1 . LEU O 41 ? 0.9908 0.7583 0.6801 0.0046 -0.0145 -0.0033 41 LEU U CD1 +21828 C CD2 . LEU O 41 ? 1.0017 0.7574 0.6746 0.0058 -0.0076 -0.0029 41 LEU U CD2 +21829 N N . TYR O 42 ? 0.8948 0.6697 0.5987 0.0003 0.0004 -0.0063 42 TYR U N +21830 C CA . TYR O 42 ? 0.8248 0.6053 0.5378 -0.0013 0.0037 -0.0061 42 TYR U CA +21831 C C . TYR O 42 ? 0.8285 0.6082 0.5408 -0.0010 0.0063 -0.0076 42 TYR U C +21832 O O . TYR O 42 ? 0.8665 0.6445 0.5764 -0.0001 0.0037 -0.0093 42 TYR U O +21833 C CB . TYR O 42 ? 0.8074 0.5947 0.5306 -0.0023 0.0003 -0.0062 42 TYR U CB +21834 C CG . TYR O 42 ? 0.8540 0.6476 0.5872 -0.0039 0.0029 -0.0059 42 TYR U CG +21835 C CD1 . TYR O 42 ? 0.7911 0.5867 0.5280 -0.0041 0.0040 -0.0073 42 TYR U CD1 +21836 C CD2 . TYR O 42 ? 0.8366 0.6340 0.5755 -0.0052 0.0042 -0.0043 42 TYR U CD2 +21837 C CE1 . TYR O 42 ? 0.8354 0.6366 0.5812 -0.0053 0.0062 -0.0071 42 TYR U CE1 +21838 C CE2 . TYR O 42 ? 0.8435 0.6468 0.5916 -0.0066 0.0063 -0.0041 42 TYR U CE2 +21839 C CZ . TYR O 42 ? 0.9010 0.7063 0.6526 -0.0066 0.0072 -0.0055 42 TYR U CZ +21840 O OH . TYR O 42 ? 0.8408 0.6518 0.6012 -0.0077 0.0092 -0.0054 42 TYR U OH +21841 N N . PRO O 43 ? 0.8632 0.6444 0.5780 -0.0018 0.0115 -0.0072 43 PRO U N +21842 C CA . PRO O 43 ? 0.8873 0.6712 0.6061 -0.0032 0.0147 -0.0054 43 PRO U CA +21843 C C . PRO O 43 ? 0.9181 0.6966 0.6286 -0.0030 0.0185 -0.0041 43 PRO U C +21844 O O . PRO O 43 ? 0.8983 0.6785 0.6115 -0.0042 0.0208 -0.0026 43 PRO U O +21845 C CB . PRO O 43 ? 0.7893 0.5783 0.5160 -0.0042 0.0180 -0.0059 43 PRO U CB +21846 C CG . PRO O 43 ? 0.7587 0.5440 0.4799 -0.0028 0.0192 -0.0077 43 PRO U CG +21847 C CD . PRO O 43 ? 0.7286 0.5098 0.4439 -0.0015 0.0142 -0.0086 43 PRO U CD +21848 N N . THR O 44 ? 0.8604 0.6324 0.5611 -0.0015 0.0192 -0.0048 44 THR U N +21849 C CA . THR O 44 ? 0.9038 0.6707 0.5969 -0.0015 0.0240 -0.0039 44 THR U CA +21850 C C . THR O 44 ? 0.9708 0.7342 0.6590 -0.0015 0.0232 -0.0020 44 THR U C +21851 O O . THR O 44 ? 0.8807 0.6445 0.5698 -0.0028 0.0269 -0.0005 44 THR U O +21852 C CB . THR O 44 ? 1.0222 0.7827 0.7055 0.0003 0.0248 -0.0052 44 THR U CB +21853 O OG1 . THR O 44 ? 0.9109 0.6744 0.5987 0.0005 0.0248 -0.0071 44 THR U OG1 +21854 C CG2 . THR O 44 ? 0.9133 0.6690 0.5894 0.0001 0.0306 -0.0044 44 THR U CG2 +21855 N N . LEU O 45 ? 0.8712 0.6312 0.5540 0.0000 0.0184 -0.0022 45 LEU U N +21856 C CA . LEU O 45 ? 0.8963 0.6531 0.5745 0.0002 0.0171 -0.0005 45 LEU U CA +21857 C C . LEU O 45 ? 0.9162 0.6791 0.6040 -0.0014 0.0166 0.0008 45 LEU U C +21858 O O . LEU O 45 ? 1.0094 0.7708 0.6957 -0.0022 0.0189 0.0025 45 LEU U O +21859 C CB . LEU O 45 ? 0.9183 0.6712 0.5900 0.0023 0.0116 -0.0011 45 LEU U CB +21860 C CG . LEU O 45 ? 0.9873 0.7317 0.6463 0.0040 0.0128 -0.0016 45 LEU U CG +21861 C CD1 . LEU O 45 ? 0.9723 0.7130 0.6247 0.0061 0.0071 -0.0026 45 LEU U CD1 +21862 C CD2 . LEU O 45 ? 1.0004 0.7395 0.6523 0.0038 0.0171 0.0003 45 LEU U CD2 +21863 N N . ALA O 46 ? 0.8813 0.6510 0.5787 -0.0020 0.0137 -0.0001 46 ALA U N +21864 C CA . ALA O 46 ? 0.8524 0.6281 0.5591 -0.0034 0.0128 0.0010 46 ALA U CA +21865 C C . ALA O 46 ? 0.8067 0.5842 0.5169 -0.0053 0.0182 0.0022 46 ALA U C +21866 O O . ALA O 46 ? 0.8785 0.6568 0.5904 -0.0062 0.0188 0.0037 46 ALA U O +21867 C CB . ALA O 46 ? 0.8233 0.6057 0.5396 -0.0039 0.0098 -0.0003 46 ALA U CB +21868 N N . LYS O 47 ? 0.8620 0.6406 0.5737 -0.0058 0.0222 0.0013 47 LYS U N +21869 C CA . LYS O 47 ? 0.8404 0.6207 0.5551 -0.0076 0.0276 0.0022 47 LYS U CA +21870 C C . LYS O 47 ? 1.0809 0.8548 0.7869 -0.0077 0.0302 0.0038 47 LYS U C +21871 O O . LYS O 47 ? 1.0098 0.7851 0.7186 -0.0092 0.0322 0.0052 47 LYS U O +21872 C CB . LYS O 47 ? 0.8490 0.6306 0.5650 -0.0077 0.0312 0.0009 47 LYS U CB +21873 C CG . LYS O 47 ? 0.9958 0.7784 0.7135 -0.0093 0.0371 0.0016 47 LYS U CG +21874 C CD . LYS O 47 ? 1.0067 0.7911 0.7263 -0.0091 0.0404 0.0001 47 LYS U CD +21875 C CE . LYS O 47 ? 1.1212 0.9084 0.8446 -0.0110 0.0461 0.0007 47 LYS U CE +21876 N NZ . LYS O 47 ? 1.2320 1.0203 0.9562 -0.0104 0.0494 -0.0009 47 LYS U NZ +21877 N N . LEU O 48 ? 0.9197 0.6863 0.6147 -0.0060 0.0302 0.0036 48 LEU U N +21878 C CA . LEU O 48 ? 0.9264 0.6860 0.6120 -0.0059 0.0328 0.0051 48 LEU U CA +21879 C C . LEU O 48 ? 0.8866 0.6453 0.5717 -0.0059 0.0299 0.0066 48 LEU U C +21880 O O . LEU O 48 ? 0.9542 0.7107 0.6374 -0.0070 0.0327 0.0082 48 LEU U O +21881 C CB . LEU O 48 ? 0.8587 0.6105 0.5324 -0.0039 0.0325 0.0044 48 LEU U CB +21882 C CG . LEU O 48 ? 1.0673 0.8183 0.7391 -0.0038 0.0366 0.0032 48 LEU U CG +21883 C CD1 . LEU O 48 ? 1.0064 0.7491 0.6656 -0.0016 0.0359 0.0026 48 LEU U CD1 +21884 C CD2 . LEU O 48 ? 0.9769 0.7288 0.6506 -0.0058 0.0431 0.0040 48 LEU U CD2 +21885 N N . ILE O 49 ? 0.9208 0.6812 0.6077 -0.0046 0.0241 0.0061 49 ILE U N +21886 C CA . ILE O 49 ? 0.8737 0.6333 0.5601 -0.0043 0.0210 0.0075 49 ILE U CA +21887 C C . ILE O 49 ? 0.9645 0.7299 0.6604 -0.0065 0.0226 0.0085 49 ILE U C +21888 O O . ILE O 49 ? 0.9068 0.6699 0.6006 -0.0070 0.0235 0.0101 49 ILE U O +21889 C CB . ILE O 49 ? 0.9672 0.7282 0.6545 -0.0025 0.0146 0.0064 49 ILE U CB +21890 C CG1 . ILE O 49 ? 0.8294 0.5836 0.5058 -0.0002 0.0128 0.0056 49 ILE U CG1 +21891 C CG2 . ILE O 49 ? 0.8686 0.6312 0.5585 -0.0023 0.0112 0.0076 49 ILE U CG2 +21892 C CD1 . ILE O 49 ? 0.9883 0.7448 0.6666 0.0012 0.0071 0.0039 49 ILE U CD1 +21893 N N . VAL O 50 ? 0.9460 0.7189 0.6523 -0.0078 0.0230 0.0075 50 VAL U N +21894 C CA . VAL O 50 ? 0.8577 0.6364 0.5734 -0.0098 0.0241 0.0084 50 VAL U CA +21895 C C . VAL O 50 ? 0.9981 0.7754 0.7128 -0.0116 0.0299 0.0094 50 VAL U C +21896 O O . VAL O 50 ? 0.9344 0.7120 0.6509 -0.0129 0.0309 0.0108 50 VAL U O +21897 C CB . VAL O 50 ? 0.8706 0.6575 0.5973 -0.0105 0.0227 0.0071 50 VAL U CB +21898 C CG1 . VAL O 50 ? 0.7842 0.5772 0.5205 -0.0127 0.0249 0.0078 50 VAL U CG1 +21899 C CG2 . VAL O 50 ? 0.8411 0.6299 0.5698 -0.0091 0.0168 0.0063 50 VAL U CG2 +21900 N N . LYS O 51 ? 0.8932 0.6685 0.6046 -0.0118 0.0339 0.0088 51 LYS U N +21901 C CA . LYS O 51 ? 0.9831 0.7571 0.6935 -0.0137 0.0398 0.0096 51 LYS U CA +21902 C C . LYS O 51 ? 0.9546 0.7209 0.6554 -0.0137 0.0412 0.0113 51 LYS U C +21903 O O . LYS O 51 ? 0.9925 0.7582 0.6938 -0.0157 0.0454 0.0124 51 LYS U O +21904 C CB . LYS O 51 ? 1.0754 0.8485 0.7834 -0.0135 0.0434 0.0083 51 LYS U CB +21905 C CG . LYS O 51 ? 1.2631 1.0405 0.9773 -0.0158 0.0489 0.0082 51 LYS U CG +21906 C CD . LYS O 51 ? 1.3363 1.1230 1.0633 -0.0167 0.0474 0.0073 51 LYS U CD +21907 C CE . LYS O 51 ? 1.3809 1.1724 1.1144 -0.0187 0.0526 0.0069 51 LYS U CE +21908 N NZ . LYS O 51 ? 1.2552 1.0548 1.0005 -0.0202 0.0516 0.0068 51 LYS U NZ +21909 N N . ASN O 52 ? 0.9857 0.7458 0.6775 -0.0115 0.0379 0.0116 52 ASN U N +21910 C CA . ASN O 52 ? 1.0153 0.7672 0.6968 -0.0111 0.0393 0.0132 52 ASN U CA +21911 C C . ASN O 52 ? 0.9802 0.7312 0.6615 -0.0104 0.0353 0.0144 52 ASN U C +21912 O O . ASN O 52 ? 1.0191 0.7629 0.6915 -0.0098 0.0357 0.0158 52 ASN U O +21913 C CB . ASN O 52 ? 0.9287 0.6728 0.5983 -0.0090 0.0392 0.0128 52 ASN U CB +21914 C CG . ASN O 52 ? 1.0822 0.8255 0.7499 -0.0098 0.0445 0.0121 52 ASN U CG +21915 O OD1 . ASN O 52 ? 1.0619 0.8022 0.7265 -0.0114 0.0496 0.0130 52 ASN U OD1 +21916 N ND2 . ASN O 52 ? 0.9931 0.7389 0.6626 -0.0087 0.0433 0.0103 52 ASN U ND2 +21917 N N . ALA O 53 ? 1.0166 0.7746 0.7074 -0.0106 0.0316 0.0139 53 ALA U N +21918 C CA . ALA O 53 ? 0.9917 0.7500 0.6838 -0.0101 0.0282 0.0150 53 ALA U CA +21919 C C . ALA O 53 ? 0.9286 0.6861 0.6220 -0.0124 0.0320 0.0166 53 ALA U C +21920 O O . ALA O 53 ? 1.0244 0.7842 0.7215 -0.0146 0.0367 0.0165 53 ALA U O +21921 C CB . ALA O 53 ? 0.9179 0.6843 0.6205 -0.0100 0.0239 0.0140 53 ALA U CB +21922 N N . PRO O 54 ? 0.9496 0.7040 0.6401 -0.0118 0.0301 0.0180 54 PRO U N +21923 C CA . PRO O 54 ? 1.0096 0.7620 0.6966 -0.0091 0.0244 0.0180 54 PRO U CA +21924 C C . PRO O 54 ? 1.1028 0.8455 0.7762 -0.0069 0.0240 0.0188 54 PRO U C +21925 O O . PRO O 54 ? 0.9974 0.7343 0.6637 -0.0076 0.0284 0.0194 54 PRO U O +21926 C CB . PRO O 54 ? 0.9524 0.7070 0.6442 -0.0099 0.0232 0.0192 54 PRO U CB +21927 C CG . PRO O 54 ? 0.8998 0.6520 0.5905 -0.0124 0.0288 0.0204 54 PRO U CG +21928 C CD . PRO O 54 ? 1.0054 0.7596 0.6981 -0.0140 0.0331 0.0194 54 PRO U CD +21929 N N . TYR O 55 ? 0.9203 0.6616 0.5906 -0.0042 0.0186 0.0185 55 TYR U N +21930 C CA . TYR O 55 ? 0.8787 0.6117 0.5367 -0.0015 0.0169 0.0189 55 TYR U CA +21931 C C . TYR O 55 ? 1.0618 0.7920 0.7168 0.0002 0.0133 0.0201 55 TYR U C +21932 O O . TYR O 55 ? 0.9738 0.7102 0.6370 0.0003 0.0099 0.0198 55 TYR U O +21933 C CB . TYR O 55 ? 0.9159 0.6501 0.5727 0.0005 0.0132 0.0170 55 TYR U CB +21934 C CG . TYR O 55 ? 1.1073 0.8449 0.7680 -0.0010 0.0162 0.0157 55 TYR U CG +21935 C CD1 . TYR O 55 ? 0.9912 0.7230 0.6438 -0.0012 0.0205 0.0157 55 TYR U CD1 +21936 C CD2 . TYR O 55 ? 0.9843 0.7308 0.6566 -0.0022 0.0150 0.0143 55 TYR U CD2 +21937 C CE1 . TYR O 55 ? 0.9884 0.7233 0.6446 -0.0025 0.0234 0.0145 55 TYR U CE1 +21938 C CE2 . TYR O 55 ? 0.9161 0.6654 0.5917 -0.0034 0.0178 0.0131 55 TYR U CE2 +21939 C CZ . TYR O 55 ? 1.0026 0.7462 0.6702 -0.0034 0.0220 0.0131 55 TYR U CZ +21940 O OH . TYR O 55 ? 0.9590 0.7053 0.6297 -0.0044 0.0249 0.0118 55 TYR U OH +21941 N N . GLU O 56 ? 1.0169 0.7379 0.6601 0.0017 0.0141 0.0214 56 GLU U N +21942 C CA . GLU O 56 ? 1.0761 0.7937 0.7153 0.0038 0.0106 0.0225 56 GLU U CA +21943 C C . GLU O 56 ? 1.0851 0.8030 0.7219 0.0071 0.0043 0.0214 56 GLU U C +21944 O O . GLU O 56 ? 1.0464 0.7660 0.6852 0.0087 0.0002 0.0216 56 GLU U O +21945 C CB . GLU O 56 ? 1.0591 0.7663 0.6863 0.0042 0.0137 0.0244 56 GLU U CB +21946 C CG . GLU O 56 ? 1.4475 1.1543 1.0774 0.0009 0.0193 0.0257 56 GLU U CG +21947 C CD . GLU O 56 ? 1.8118 1.5079 1.4296 0.0011 0.0225 0.0276 56 GLU U CD +21948 O OE1 . GLU O 56 ? 2.0345 1.7230 1.6412 0.0041 0.0203 0.0280 56 GLU U OE1 +21949 O OE2 . GLU O 56 ? 2.1262 1.8211 1.7453 -0.0017 0.0272 0.0287 56 GLU U OE2 +21950 N N . SER O 57 ? 0.9932 0.7094 0.6255 0.0082 0.0036 0.0201 57 SER U N +21951 C CA . SER O 57 ? 1.0097 0.7270 0.6407 0.0111 -0.0024 0.0188 57 SER U CA +21952 C C . SER O 57 ? 0.9828 0.7036 0.6166 0.0106 -0.0025 0.0168 57 SER U C +21953 O O . SER O 57 ? 1.0362 0.7568 0.6704 0.0085 0.0022 0.0167 57 SER U O +21954 C CB . SER O 57 ? 1.1845 0.8923 0.8019 0.0143 -0.0045 0.0195 57 SER U CB +21955 O OG . SER O 57 ? 1.2279 0.9288 0.8360 0.0141 -0.0006 0.0197 57 SER U OG +21956 N N . VAL O 58 ? 0.9232 0.6473 0.5590 0.0124 -0.0080 0.0152 58 VAL U N +21957 C CA . VAL O 58 ? 0.9962 0.7241 0.6355 0.0120 -0.0088 0.0132 58 VAL U CA +21958 C C . VAL O 58 ? 1.1829 0.9037 0.8119 0.0125 -0.0057 0.0130 58 VAL U C +21959 O O . VAL O 58 ? 1.1031 0.8259 0.7349 0.0108 -0.0026 0.0121 58 VAL U O +21960 C CB . VAL O 58 ? 1.1814 0.9130 0.8231 0.0141 -0.0154 0.0116 58 VAL U CB +21961 C CG1 . VAL O 58 ? 1.2588 0.9918 0.9007 0.0141 -0.0164 0.0096 58 VAL U CG1 +21962 C CG2 . VAL O 58 ? 1.0771 0.8175 0.7311 0.0131 -0.0177 0.0115 58 VAL U CG2 +21963 N N . GLU O 59 ? 1.1749 0.8867 0.7915 0.0148 -0.0062 0.0139 59 GLU U N +21964 C CA . GLU O 59 ? 1.1906 0.8951 0.7964 0.0155 -0.0038 0.0136 59 GLU U CA +21965 C C . GLU O 59 ? 1.0168 0.7190 0.6216 0.0130 0.0033 0.0146 59 GLU U C +21966 O O . GLU O 59 ? 1.0833 0.7816 0.6821 0.0130 0.0060 0.0140 59 GLU U O +21967 C CB . GLU O 59 ? 1.1523 0.8475 0.7447 0.0187 -0.0062 0.0145 59 GLU U CB +21968 C CG . GLU O 59 ? 1.3723 1.0694 0.9649 0.0216 -0.0134 0.0134 59 GLU U CG +21969 C CD . GLU O 59 ? 1.7809 1.4810 1.3784 0.0221 -0.0160 0.0145 59 GLU U CD +21970 O OE1 . GLU O 59 ? 1.5734 1.2768 1.1778 0.0197 -0.0127 0.0157 59 GLU U OE1 +21971 O OE2 . GLU O 59 ? 2.1861 1.8853 1.7806 0.0249 -0.0215 0.0142 59 GLU U OE2 +21972 N N . ASP O 60 ? 1.0018 0.7065 0.6124 0.0108 0.0065 0.0161 60 ASP U N +21973 C CA . ASP O 60 ? 1.0193 0.7225 0.6296 0.0081 0.0133 0.0168 60 ASP U CA +21974 C C . ASP O 60 ? 1.0215 0.7303 0.6386 0.0065 0.0154 0.0152 60 ASP U C +21975 O O . ASP O 60 ? 1.1478 0.8547 0.7631 0.0048 0.0210 0.0154 60 ASP U O +21976 C CB . ASP O 60 ? 1.1059 0.8120 0.7228 0.0058 0.0160 0.0184 60 ASP U CB +21977 C CG . ASP O 60 ? 1.1986 0.8979 0.8078 0.0072 0.0151 0.0203 60 ASP U CG +21978 O OD1 . ASP O 60 ? 1.4085 1.0986 1.0050 0.0089 0.0159 0.0210 60 ASP U OD1 +21979 O OD2 . ASP O 60 ? 1.3805 1.0835 0.9960 0.0067 0.0135 0.0210 60 ASP U OD2 +21980 N N . VAL O 61 ? 1.0701 0.7858 0.6951 0.0069 0.0113 0.0134 61 VAL U N +21981 C CA . VAL O 61 ? 1.1145 0.8355 0.7461 0.0055 0.0131 0.0118 61 VAL U CA +21982 C C . VAL O 61 ? 1.0212 0.7358 0.6428 0.0066 0.0150 0.0110 61 VAL U C +21983 O O . VAL O 61 ? 1.1272 0.8436 0.7514 0.0051 0.0190 0.0102 61 VAL U O +21984 C CB . VAL O 61 ? 1.0082 0.7372 0.6496 0.0058 0.0079 0.0102 61 VAL U CB +21985 C CG1 . VAL O 61 ? 0.9632 0.6894 0.5984 0.0085 0.0027 0.0088 61 VAL U CG1 +21986 C CG2 . VAL O 61 ? 1.0490 0.7849 0.6999 0.0037 0.0105 0.0090 61 VAL U CG2 +21987 N N . LEU O 62 ? 1.1464 0.8533 0.7563 0.0092 0.0125 0.0112 62 LEU U N +21988 C CA . LEU O 62 ? 1.2440 0.9438 0.8431 0.0105 0.0143 0.0106 62 LEU U CA +21989 C C . LEU O 62 ? 1.2229 0.9172 0.8159 0.0091 0.0213 0.0120 62 LEU U C +21990 O O . LEU O 62 ? 1.2807 0.9704 0.8665 0.0096 0.0239 0.0113 62 LEU U O +21991 C CB . LEU O 62 ? 1.0427 0.7358 0.6309 0.0138 0.0095 0.0105 62 LEU U CB +21992 C CG . LEU O 62 ? 1.2863 0.9847 0.8799 0.0152 0.0028 0.0086 62 LEU U CG +21993 C CD1 . LEU O 62 ? 1.1776 0.8706 0.7621 0.0184 -0.0027 0.0085 62 LEU U CD1 +21994 C CD2 . LEU O 62 ? 1.0944 0.7954 0.6904 0.0148 0.0033 0.0065 62 LEU U CD2 +21995 N N . ASN O 63 ? 1.1848 0.8795 0.7805 0.0072 0.0245 0.0138 63 ASN U N +21996 C CA . ASN O 63 ? 1.1773 0.8671 0.7678 0.0055 0.0313 0.0151 63 ASN U CA +21997 C C . ASN O 63 ? 1.3425 1.0392 0.9431 0.0025 0.0362 0.0145 63 ASN U C +21998 O O . ASN O 63 ? 1.3088 1.0031 0.9075 0.0005 0.0421 0.0155 63 ASN U O +21999 C CB . ASN O 63 ? 1.3111 0.9965 0.8980 0.0050 0.0326 0.0174 63 ASN U CB +22000 C CG . ASN O 63 ? 1.4435 1.1220 1.0204 0.0082 0.0278 0.0181 63 ASN U CG +22001 O OD1 . ASN O 63 ? 1.2766 0.9491 0.8436 0.0106 0.0260 0.0175 63 ASN U OD1 +22002 N ND2 . ASN O 63 ? 1.3619 1.0412 0.9414 0.0083 0.0255 0.0194 63 ASN U ND2 +22003 N N . ILE O 64 ? 1.1177 0.8229 0.7289 0.0020 0.0339 0.0128 64 ILE U N +22004 C CA . ILE O 64 ? 1.2266 0.9383 0.8472 -0.0006 0.0385 0.0121 64 ILE U CA +22005 C C . ILE O 64 ? 1.2537 0.9607 0.8671 -0.0006 0.0434 0.0116 64 ILE U C +22006 O O . ILE O 64 ? 1.2715 0.9748 0.8781 0.0015 0.0416 0.0104 64 ILE U O +22007 C CB . ILE O 64 ? 1.2424 0.9633 0.8747 -0.0007 0.0349 0.0104 64 ILE U CB +22008 C CG1 . ILE O 64 ? 1.0431 0.7695 0.6839 -0.0012 0.0310 0.0110 64 ILE U CG1 +22009 C CG2 . ILE O 64 ? 0.9549 0.6815 0.5951 -0.0028 0.0395 0.0094 64 ILE U CG2 +22010 C CD1 . ILE O 64 ? 0.9467 0.6815 0.5982 -0.0011 0.0271 0.0092 64 ILE U CD1 +22011 N N . PRO O 65 ? 1.2536 0.9606 0.8681 -0.0029 0.0497 0.0124 65 PRO U N +22012 C CA . PRO O 65 ? 1.3007 1.0033 0.9084 -0.0030 0.0548 0.0119 65 PRO U CA +22013 C C . PRO O 65 ? 1.3306 1.0380 0.9431 -0.0024 0.0543 0.0097 65 PRO U C +22014 O O . PRO O 65 ? 1.4240 1.1401 1.0483 -0.0032 0.0526 0.0086 65 PRO U O +22015 C CB . PRO O 65 ? 1.3097 1.0140 0.9213 -0.0062 0.0614 0.0131 65 PRO U CB +22016 C CG . PRO O 65 ? 1.2575 0.9645 0.8746 -0.0074 0.0594 0.0145 65 PRO U CG +22017 C CD . PRO O 65 ? 1.2410 0.9526 0.8638 -0.0057 0.0525 0.0136 65 PRO U CD +22018 N N . GLY O 66 ? 1.3553 1.0568 0.9583 -0.0009 0.0559 0.0089 66 GLY U N +22019 C CA . GLY O 66 ? 1.1870 0.8917 0.7929 -0.0003 0.0567 0.0068 66 GLY U CA +22020 C C . GLY O 66 ? 1.2193 0.9247 0.8249 0.0020 0.0503 0.0051 66 GLY U C +22021 O O . GLY O 66 ? 1.2937 1.0010 0.9008 0.0026 0.0507 0.0033 66 GLY U O +22022 N N . LEU O 67 ? 1.1682 0.8722 0.7720 0.0033 0.0446 0.0056 67 LEU U N +22023 C CA . LEU O 67 ? 1.2097 0.9150 0.8140 0.0053 0.0384 0.0039 67 LEU U CA +22024 C C . LEU O 67 ? 1.2344 0.9328 0.8277 0.0075 0.0383 0.0026 67 LEU U C +22025 O O . LEU O 67 ? 1.4888 1.1788 1.0703 0.0084 0.0406 0.0035 67 LEU U O +22026 C CB . LEU O 67 ? 1.2194 0.9236 0.8224 0.0065 0.0326 0.0048 67 LEU U CB +22027 C CG . LEU O 67 ? 1.2792 0.9908 0.8937 0.0048 0.0309 0.0057 67 LEU U CG +22028 C CD1 . LEU O 67 ? 1.1377 0.8479 0.7501 0.0064 0.0248 0.0062 67 LEU U CD1 +22029 C CD2 . LEU O 67 ? 1.1281 0.8488 0.7552 0.0036 0.0301 0.0042 67 LEU U CD2 +22030 N N . THR O 68 ? 1.2418 0.9434 0.8387 0.0082 0.0359 0.0005 68 THR U N +22031 C CA . THR O 68 ? 1.1672 0.8623 0.7535 0.0106 0.0343 -0.0009 68 THR U CA +22032 C C . THR O 68 ? 1.3652 1.0564 0.9455 0.0126 0.0277 -0.0009 68 THR U C +22033 O O . THR O 68 ? 1.2661 0.9612 0.8523 0.0123 0.0239 -0.0002 68 THR U O +22034 C CB . THR O 68 ? 1.1603 0.8595 0.7519 0.0108 0.0335 -0.0033 68 THR U CB +22035 O OG1 . THR O 68 ? 1.2365 0.9407 0.8351 0.0111 0.0272 -0.0043 68 THR U OG1 +22036 C CG2 . THR O 68 ? 1.0615 0.7671 0.6628 0.0086 0.0389 -0.0034 68 THR U CG2 +22037 N N . GLU O 69 ? 1.2661 0.9496 0.8344 0.0149 0.0264 -0.0017 69 GLU U N +22038 C CA . GLU O 69 ? 1.2673 0.9468 0.8288 0.0172 0.0201 -0.0019 69 GLU U CA +22039 C C . GLU O 69 ? 1.2878 0.9738 0.8580 0.0174 0.0138 -0.0036 69 GLU U C +22040 O O . GLU O 69 ? 1.1974 0.8838 0.7676 0.0184 0.0085 -0.0033 69 GLU U O +22041 C CB . GLU O 69 ? 1.4997 1.1698 1.0467 0.0195 0.0202 -0.0027 69 GLU U CB +22042 C CG . GLU O 69 ? 1.5182 1.1807 1.0551 0.0195 0.0263 -0.0010 69 GLU U CG +22043 C CD . GLU O 69 ? 1.6541 1.3137 1.1879 0.0195 0.0259 0.0014 69 GLU U CD +22044 O OE1 . GLU O 69 ? 1.4859 1.1452 1.0187 0.0210 0.0199 0.0015 69 GLU U OE1 +22045 O OE2 . GLU O 69 ? 1.6136 1.2715 1.1463 0.0179 0.0316 0.0032 69 GLU U OE2 +22046 N N . ARG O 70 ? 1.1806 0.8719 0.7584 0.0165 0.0143 -0.0054 70 ARG U N +22047 C CA . ARG O 70 ? 1.2497 0.9479 0.8369 0.0162 0.0089 -0.0068 70 ARG U CA +22048 C C . ARG O 70 ? 1.2941 0.9997 0.8927 0.0145 0.0080 -0.0055 70 ARG U C +22049 O O . ARG O 70 ? 1.1391 0.8482 0.7423 0.0148 0.0025 -0.0058 70 ARG U O +22050 C CB . ARG O 70 ? 1.1282 0.8298 0.7206 0.0156 0.0103 -0.0089 70 ARG U CB +22051 C CG . ARG O 70 ? 1.4820 1.1825 1.0721 0.0170 0.0048 -0.0113 70 ARG U CG +22052 C CD . ARG O 70 ? 1.3852 1.0941 0.9876 0.0158 0.0007 -0.0123 70 ARG U CD +22053 N NE . ARG O 70 ? 1.6095 1.3248 1.2224 0.0138 0.0046 -0.0123 70 ARG U NE +22054 C CZ . ARG O 70 ? 1.6328 1.3545 1.2556 0.0128 0.0026 -0.0136 70 ARG U CZ +22055 N NH1 . ARG O 70 ? 1.4795 1.2023 1.1035 0.0133 -0.0032 -0.0151 70 ARG U NH1 +22056 N NH2 . ARG O 70 ? 1.8638 1.5910 1.4956 0.0111 0.0064 -0.0133 70 ARG U NH2 +22057 N N . GLN O 71 ? 1.0581 0.7662 0.6615 0.0126 0.0133 -0.0040 71 GLN U N +22058 C CA . GLN O 71 ? 1.1620 0.8770 0.7761 0.0109 0.0126 -0.0028 71 GLN U CA +22059 C C . GLN O 71 ? 1.1478 0.8598 0.7574 0.0119 0.0093 -0.0013 71 GLN U C +22060 O O . GLN O 71 ? 1.1916 0.9086 0.8083 0.0117 0.0050 -0.0012 71 GLN U O +22061 C CB . GLN O 71 ? 1.0283 0.7463 0.6479 0.0086 0.0190 -0.0016 71 GLN U CB +22062 C CG . GLN O 71 ? 0.9205 0.6425 0.5460 0.0077 0.0219 -0.0031 71 GLN U CG +22063 C CD . GLN O 71 ? 1.1522 0.8770 0.7825 0.0057 0.0284 -0.0021 71 GLN U CD +22064 O OE1 . GLN O 71 ? 1.2263 0.9465 0.8503 0.0054 0.0324 -0.0007 71 GLN U OE1 +22065 N NE2 . GLN O 71 ? 1.1392 0.8716 0.7807 0.0043 0.0294 -0.0029 71 GLN U NE2 +22066 N N . LYS O 72 ? 1.2180 0.9216 0.8156 0.0132 0.0110 -0.0001 72 LYS U N +22067 C CA . LYS O 72 ? 1.1704 0.8704 0.7627 0.0146 0.0077 0.0013 72 LYS U CA +22068 C C . LYS O 72 ? 1.1230 0.8235 0.7144 0.0166 0.0004 -0.0002 72 LYS U C +22069 O O . LYS O 72 ? 1.1006 0.8031 0.6945 0.0172 -0.0036 0.0005 72 LYS U O +22070 C CB . LYS O 72 ? 1.2524 0.9424 0.8308 0.0158 0.0109 0.0026 72 LYS U CB +22071 C CG . LYS O 72 ? 1.4186 1.1074 0.9971 0.0138 0.0177 0.0045 72 LYS U CG +22072 C CD . LYS O 72 ? 1.5330 1.2114 1.0970 0.0150 0.0213 0.0056 72 LYS U CD +22073 C CE . LYS O 72 ? 1.7867 1.4643 1.3512 0.0126 0.0288 0.0070 72 LYS U CE +22074 N NZ . LYS O 72 ? 1.9094 1.5773 1.4603 0.0136 0.0330 0.0075 72 LYS U NZ +22075 N N . GLN O 73 ? 1.0729 0.7718 0.6607 0.0177 -0.0013 -0.0023 73 GLN U N +22076 C CA . GLN O 73 ? 1.1731 0.8727 0.7603 0.0194 -0.0082 -0.0039 73 GLN U CA +22077 C C . GLN O 73 ? 1.2483 0.9575 0.8492 0.0179 -0.0115 -0.0046 73 GLN U C +22078 O O . GLN O 73 ? 1.1244 0.8358 0.7273 0.0188 -0.0169 -0.0049 73 GLN U O +22079 C CB . GLN O 73 ? 1.1845 0.8801 0.7651 0.0205 -0.0088 -0.0061 73 GLN U CB +22080 C CG . GLN O 73 ? 1.4843 1.1767 1.0582 0.0230 -0.0153 -0.0075 73 GLN U CG +22081 C CD . GLN O 73 ? 2.2196 1.9070 1.7857 0.0241 -0.0155 -0.0097 73 GLN U CD +22082 O OE1 . GLN O 73 ? 2.3233 2.0148 1.8952 0.0233 -0.0168 -0.0116 73 GLN U OE1 +22083 N NE2 . GLN O 73 ? 2.0245 1.7028 1.5769 0.0261 -0.0141 -0.0092 73 GLN U NE2 +22084 N N . ILE O 74 ? 1.0964 0.8115 0.7070 0.0156 -0.0082 -0.0049 74 ILE U N +22085 C CA . ILE O 74 ? 1.0456 0.7698 0.6693 0.0141 -0.0110 -0.0055 74 ILE U CA +22086 C C . ILE O 74 ? 0.9955 0.7227 0.6240 0.0136 -0.0118 -0.0036 74 ILE U C +22087 O O . ILE O 74 ? 1.1087 0.8407 0.7433 0.0137 -0.0165 -0.0040 74 ILE U O +22088 C CB . ILE O 74 ? 1.0974 0.8265 0.7295 0.0120 -0.0070 -0.0062 74 ILE U CB +22089 C CG1 . ILE O 74 ? 0.9707 0.6967 0.5980 0.0128 -0.0069 -0.0083 74 ILE U CG1 +22090 C CG2 . ILE O 74 ? 1.0640 0.8022 0.7095 0.0104 -0.0094 -0.0065 74 ILE U CG2 +22091 C CD1 . ILE O 74 ? 1.0170 0.7470 0.6512 0.0112 -0.0027 -0.0090 74 ILE U CD1 +22092 N N . LEU O 75 ? 0.9854 0.7098 0.6109 0.0131 -0.0072 -0.0015 75 LEU U N +22093 C CA . LEU O 75 ? 1.0074 0.7338 0.6364 0.0127 -0.0077 0.0003 75 LEU U CA +22094 C C . LEU O 75 ? 1.1109 0.8339 0.7336 0.0151 -0.0131 0.0005 75 LEU U C +22095 O O . LEU O 75 ? 1.0461 0.7737 0.6751 0.0151 -0.0166 0.0009 75 LEU U O +22096 C CB . LEU O 75 ? 0.9673 0.6900 0.5928 0.0116 -0.0016 0.0024 75 LEU U CB +22097 C CG . LEU O 75 ? 1.1204 0.8482 0.7544 0.0090 0.0036 0.0024 75 LEU U CG +22098 C CD1 . LEU O 75 ? 0.9834 0.7072 0.6132 0.0079 0.0096 0.0043 75 LEU U CD1 +22099 C CD2 . LEU O 75 ? 1.0250 0.7619 0.6724 0.0074 0.0017 0.0024 75 LEU U CD2 +22100 N N . ARG O 76 ? 1.1187 0.8336 0.7290 0.0173 -0.0139 0.0002 76 ARG U N +22101 C CA . ARG O 76 ? 1.0771 0.7883 0.6806 0.0199 -0.0190 0.0004 76 ARG U CA +22102 C C . ARG O 76 ? 1.0772 0.7944 0.6875 0.0204 -0.0254 -0.0015 76 ARG U C +22103 O O . ARG O 76 ? 1.2012 0.9202 0.8130 0.0216 -0.0296 -0.0011 76 ARG U O +22104 C CB . ARG O 76 ? 1.1691 0.8706 0.7580 0.0222 -0.0188 0.0001 76 ARG U CB +22105 C CG . ARG O 76 ? 1.2507 0.9445 0.8300 0.0229 -0.0151 0.0025 76 ARG U CG +22106 C CD . ARG O 76 ? 1.3238 1.0077 0.8879 0.0257 -0.0163 0.0022 76 ARG U CD +22107 N NE . ARG O 76 ? 1.3137 0.9942 0.8729 0.0253 -0.0126 0.0011 76 ARG U NE +22108 C CZ . ARG O 76 ? 1.6369 1.3128 1.1912 0.0243 -0.0062 0.0023 76 ARG U CZ +22109 N NH1 . ARG O 76 ? 1.4896 1.1637 1.0432 0.0233 -0.0025 0.0047 76 ARG U NH1 +22110 N NH2 . ARG O 76 ? 1.5116 1.1848 1.0618 0.0241 -0.0032 0.0012 76 ARG U NH2 +22111 N N . GLU O 77 ? 1.0427 0.7633 0.6572 0.0196 -0.0263 -0.0035 77 GLU U N +22112 C CA . GLU O 77 ? 1.1764 0.9027 0.7977 0.0197 -0.0320 -0.0054 77 GLU U CA +22113 C C . GLU O 77 ? 1.2011 0.9363 0.8355 0.0179 -0.0329 -0.0048 77 GLU U C +22114 O O . GLU O 77 ? 1.2079 0.9481 0.8481 0.0181 -0.0379 -0.0060 77 GLU U O +22115 C CB . GLU O 77 ? 1.2085 0.9356 0.8308 0.0190 -0.0321 -0.0077 77 GLU U CB +22116 C CG . GLU O 77 ? 1.5512 1.2698 1.1606 0.0209 -0.0315 -0.0085 77 GLU U CG +22117 C CD . GLU O 77 ? 1.6925 1.4119 1.3031 0.0203 -0.0322 -0.0110 77 GLU U CD +22118 O OE1 . GLU O 77 ? 1.6381 1.3647 1.2597 0.0184 -0.0327 -0.0118 77 GLU U OE1 +22119 O OE2 . GLU O 77 ? 1.8578 1.5706 1.4583 0.0218 -0.0323 -0.0120 77 GLU U OE2 +22120 N N . ASN O 78 ? 1.1007 0.8379 0.7400 0.0161 -0.0281 -0.0031 78 ASN U N +22121 C CA . ASN O 78 ? 1.1895 0.9351 0.8415 0.0142 -0.0284 -0.0027 78 ASN U CA +22122 C C . ASN O 78 ? 1.2794 1.0251 0.9321 0.0144 -0.0279 -0.0005 78 ASN U C +22123 O O . ASN O 78 ? 1.1412 0.8935 0.8040 0.0128 -0.0277 0.0001 78 ASN U O +22124 C CB . ASN O 78 ? 1.0027 0.7520 0.6617 0.0117 -0.0236 -0.0027 78 ASN U CB +22125 C CG . ASN O 78 ? 1.0864 0.8392 0.7500 0.0110 -0.0254 -0.0050 78 ASN U CG +22126 O OD1 . ASN O 78 ? 1.1315 0.8814 0.7916 0.0108 -0.0228 -0.0059 78 ASN U OD1 +22127 N ND2 . ASN O 78 ? 1.0389 0.7976 0.7102 0.0106 -0.0299 -0.0060 78 ASN U ND2 +22128 N N . LEU O 79 ? 1.1220 0.8604 0.7641 0.0164 -0.0277 0.0007 79 LEU U N +22129 C CA . LEU O 79 ? 1.1803 0.9179 0.8223 0.0166 -0.0267 0.0029 79 LEU U CA +22130 C C . LEU O 79 ? 1.0328 0.7765 0.6823 0.0171 -0.0316 0.0027 79 LEU U C +22131 O O . LEU O 79 ? 1.0225 0.7694 0.6777 0.0161 -0.0304 0.0041 79 LEU U O +22132 C CB . LEU O 79 ? 1.1673 0.8952 0.7956 0.0189 -0.0261 0.0041 79 LEU U CB +22133 C CG . LEU O 79 ? 1.2430 0.9641 0.8633 0.0182 -0.0201 0.0049 79 LEU U CG +22134 C CD1 . LEU O 79 ? 1.2195 0.9309 0.8261 0.0207 -0.0200 0.0062 79 LEU U CD1 +22135 C CD2 . LEU O 79 ? 1.1115 0.8358 0.7386 0.0154 -0.0145 0.0063 79 LEU U CD2 +22136 N N . GLU O 80 ? 0.9630 0.7084 0.6125 0.0186 -0.0371 0.0009 80 GLU U N +22137 C CA . GLU O 80 ? 1.1085 0.8600 0.7654 0.0191 -0.0418 0.0006 80 GLU U CA +22138 C C . GLU O 80 ? 1.1536 0.9141 0.8241 0.0163 -0.0409 0.0004 80 GLU U C +22139 O O . GLU O 80 ? 1.0721 0.8380 0.7495 0.0164 -0.0438 0.0005 80 GLU U O +22140 C CB . GLU O 80 ? 1.1523 0.9041 0.8066 0.0211 -0.0478 -0.0014 80 GLU U CB +22141 C CG . GLU O 80 ? 1.4406 1.1953 1.0985 0.0198 -0.0487 -0.0037 80 GLU U CG +22142 C CD . GLU O 80 ? 1.9317 1.6809 1.5798 0.0219 -0.0519 -0.0053 80 GLU U CD +22143 O OE1 . GLU O 80 ? 2.0189 1.7618 1.6570 0.0245 -0.0533 -0.0046 80 GLU U OE1 +22144 O OE2 . GLU O 80 ? 1.9221 1.6730 1.5722 0.0210 -0.0530 -0.0073 80 GLU U OE2 +22145 N N . HIS O 81 ? 0.9912 0.7533 0.6654 0.0141 -0.0371 0.0000 81 HIS U N +22146 C CA . HIS O 81 ? 1.0332 0.8032 0.7197 0.0115 -0.0358 -0.0001 81 HIS U CA +22147 C C . HIS O 81 ? 1.0188 0.7892 0.7082 0.0100 -0.0309 0.0019 81 HIS U C +22148 O O . HIS O 81 ? 1.0533 0.8301 0.7527 0.0079 -0.0296 0.0020 81 HIS U O +22149 C CB . HIS O 81 ? 0.9489 0.7207 0.6384 0.0101 -0.0346 -0.0018 81 HIS U CB +22150 C CG . HIS O 81 ? 1.1416 0.9129 0.8285 0.0112 -0.0392 -0.0040 81 HIS U CG +22151 N ND1 . HIS O 81 ? 1.1303 0.8969 0.8104 0.0117 -0.0385 -0.0052 81 HIS U ND1 +22152 C CD2 . HIS O 81 ? 1.0009 0.7761 0.6914 0.0119 -0.0447 -0.0052 81 HIS U CD2 +22153 C CE1 . HIS O 81 ? 1.0649 0.8323 0.7443 0.0126 -0.0433 -0.0072 81 HIS U CE1 +22154 N NE2 . HIS O 81 ? 1.0988 0.8715 0.7845 0.0127 -0.0471 -0.0072 81 HIS U NE2 +22155 N N . PHE O 82 ? 0.9583 0.7221 0.6392 0.0108 -0.0280 0.0035 82 PHE U N +22156 C CA . PHE O 82 ? 0.8907 0.6543 0.5736 0.0092 -0.0232 0.0054 82 PHE U CA +22157 C C . PHE O 82 ? 1.0630 0.8259 0.7453 0.0103 -0.0247 0.0069 82 PHE U C +22158 O O . PHE O 82 ? 1.0083 0.7687 0.6855 0.0127 -0.0288 0.0068 82 PHE U O +22159 C CB . PHE O 82 ? 0.9666 0.7231 0.6408 0.0090 -0.0182 0.0061 82 PHE U CB +22160 C CG . PHE O 82 ? 1.0469 0.8037 0.7214 0.0081 -0.0162 0.0047 82 PHE U CG +22161 C CD1 . PHE O 82 ? 0.9194 0.6833 0.6037 0.0067 -0.0173 0.0032 82 PHE U CD1 +22162 C CD2 . PHE O 82 ? 0.9554 0.7053 0.6203 0.0086 -0.0129 0.0048 82 PHE U CD2 +22163 C CE1 . PHE O 82 ? 0.9559 0.7197 0.6402 0.0060 -0.0153 0.0019 82 PHE U CE1 +22164 C CE2 . PHE O 82 ? 1.0477 0.7977 0.7127 0.0079 -0.0108 0.0034 82 PHE U CE2 +22165 C CZ . PHE O 82 ? 1.0209 0.7779 0.6956 0.0066 -0.0121 0.0019 82 PHE U CZ +22166 N N . THR O 83 ? 1.0280 0.7933 0.7156 0.0085 -0.0215 0.0084 83 THR U N +22167 C CA . THR O 83 ? 0.7982 0.5617 0.4842 0.0092 -0.0216 0.0101 83 THR U CA +22168 C C . THR O 83 ? 0.8961 0.6581 0.5827 0.0070 -0.0158 0.0117 83 THR U C +22169 O O . THR O 83 ? 0.9467 0.7102 0.6362 0.0050 -0.0121 0.0113 83 THR U O +22170 C CB . THR O 83 ? 0.9897 0.7602 0.6847 0.0094 -0.0255 0.0099 83 THR U CB +22171 O OG1 . THR O 83 ? 0.9178 0.6852 0.6089 0.0109 -0.0265 0.0114 83 THR U OG1 +22172 C CG2 . THR O 83 ? 0.8539 0.6316 0.5604 0.0065 -0.0230 0.0100 83 THR U CG2 +22173 N N . VAL O 84 ? 0.8492 0.6081 0.5330 0.0075 -0.0150 0.0134 84 VAL U N +22174 C CA . VAL O 84 ? 0.9532 0.7119 0.6394 0.0051 -0.0100 0.0148 84 VAL U CA +22175 C C . VAL O 84 ? 0.9406 0.7020 0.6314 0.0053 -0.0116 0.0159 84 VAL U C +22176 O O . VAL O 84 ? 0.9871 0.7458 0.6735 0.0077 -0.0152 0.0163 84 VAL U O +22177 C CB . VAL O 84 ? 1.0564 0.8061 0.7317 0.0052 -0.0058 0.0161 84 VAL U CB +22178 C CG1 . VAL O 84 ? 0.9517 0.6996 0.6237 0.0046 -0.0032 0.0151 84 VAL U CG1 +22179 C CG2 . VAL O 84 ? 0.9341 0.6764 0.5987 0.0082 -0.0085 0.0169 84 VAL U CG2 +22180 N N . THR O 85 ? 0.9798 0.7468 0.6798 0.0028 -0.0094 0.0162 85 THR U N +22181 C CA . THR O 85 ? 0.8688 0.6372 0.5723 0.0025 -0.0096 0.0174 85 THR U CA +22182 C C . THR O 85 ? 0.9389 0.7062 0.6437 -0.0003 -0.0040 0.0186 85 THR U C +22183 O O . THR O 85 ? 0.9431 0.7098 0.6473 -0.0018 -0.0003 0.0182 85 THR U O +22184 C CB . THR O 85 ? 0.9490 0.7261 0.6634 0.0023 -0.0130 0.0166 85 THR U CB +22185 O OG1 . THR O 85 ? 0.8897 0.6731 0.6133 -0.0004 -0.0106 0.0159 85 THR U OG1 +22186 C CG2 . THR O 85 ? 0.8663 0.6452 0.5803 0.0046 -0.0183 0.0151 85 THR U CG2 +22187 N N A GLU O 86 ? 0.8905 0.6574 0.5967 -0.0007 -0.0033 0.0199 86 GLU U N +22188 N N B GLU O 86 ? 0.8909 0.6583 0.5977 -0.0008 -0.0034 0.0198 86 GLU U N +22189 C CA A GLU O 86 ? 0.9465 0.7126 0.6543 -0.0035 0.0018 0.0209 86 GLU U CA +22190 C CA B GLU O 86 ? 0.9470 0.7140 0.6559 -0.0035 0.0015 0.0208 86 GLU U CA +22191 C C A GLU O 86 ? 0.9670 0.7408 0.6852 -0.0061 0.0038 0.0199 86 GLU U C +22192 C C B GLU O 86 ? 0.9663 0.7405 0.6849 -0.0061 0.0037 0.0198 86 GLU U C +22193 O O A GLU O 86 ? 0.8359 0.6167 0.5622 -0.0060 0.0008 0.0188 86 GLU U O +22194 O O B GLU O 86 ? 0.8315 0.6126 0.5580 -0.0061 0.0009 0.0186 86 GLU U O +22195 C CB A GLU O 86 ? 0.9225 0.6880 0.6315 -0.0036 0.0015 0.0222 86 GLU U CB +22196 C CB B GLU O 86 ? 0.8831 0.6507 0.5946 -0.0036 0.0007 0.0220 86 GLU U CB +22197 C CG A GLU O 86 ? 1.3080 1.0670 1.0082 -0.0005 -0.0015 0.0232 86 GLU U CG +22198 C CG B GLU O 86 ? 1.2986 1.0596 1.0014 -0.0007 -0.0020 0.0230 86 GLU U CG +22199 C CD A GLU O 86 ? 1.4284 1.1773 1.1165 -0.0001 0.0015 0.0244 86 GLU U CD +22200 C CD B GLU O 86 ? 1.2634 1.0263 0.9658 0.0023 -0.0077 0.0220 86 GLU U CD +22201 O OE1 A GLU O 86 ? 1.5115 1.2584 1.1985 -0.0026 0.0065 0.0248 86 GLU U OE1 +22202 O OE1 B GLU O 86 ? 1.0965 0.8661 0.8060 0.0020 -0.0097 0.0205 86 GLU U OE1 +22203 O OE2 A GLU O 86 ? 1.5251 1.2681 1.2048 0.0028 -0.0011 0.0250 86 GLU U OE2 +22204 O OE2 B GLU O 86 ? 1.4839 1.2414 1.1787 0.0051 -0.0101 0.0226 86 GLU U OE2 +22205 N N . VAL O 87 ? 0.9058 0.6785 0.6239 -0.0085 0.0088 0.0202 87 VAL U N +22206 C CA . VAL O 87 ? 0.8431 0.6228 0.5706 -0.0108 0.0110 0.0193 87 VAL U CA +22207 C C . VAL O 87 ? 0.8449 0.6312 0.5822 -0.0120 0.0098 0.0194 87 VAL U C +22208 O O . VAL O 87 ? 0.9072 0.6918 0.6440 -0.0126 0.0106 0.0206 87 VAL U O +22209 C CB . VAL O 87 ? 0.8529 0.6299 0.5780 -0.0131 0.0168 0.0197 87 VAL U CB +22210 C CG1 . VAL O 87 ? 0.9003 0.6848 0.6356 -0.0155 0.0191 0.0188 87 VAL U CG1 +22211 C CG2 . VAL O 87 ? 0.8454 0.6164 0.5613 -0.0119 0.0179 0.0194 87 VAL U CG2 +22212 N N . GLU O 88 ? 0.8729 0.6667 0.6190 -0.0123 0.0078 0.0181 88 GLU U N +22213 C CA . GLU O 88 ? 0.7325 0.5330 0.4883 -0.0135 0.0068 0.0181 88 GLU U CA +22214 C C . GLU O 88 ? 0.8423 0.6473 0.6050 -0.0162 0.0106 0.0176 88 GLU U C +22215 O O . GLU O 88 ? 0.7874 0.5957 0.5532 -0.0164 0.0108 0.0164 88 GLU U O +22216 C CB . GLU O 88 ? 0.7957 0.6013 0.5567 -0.0120 0.0020 0.0171 88 GLU U CB +22217 C CG . GLU O 88 ? 0.8592 0.6721 0.6306 -0.0134 0.0013 0.0169 88 GLU U CG +22218 C CD . GLU O 88 ? 1.0293 0.8410 0.8010 -0.0142 0.0025 0.0183 88 GLU U CD +22219 O OE1 . GLU O 88 ? 0.8837 0.6917 0.6507 -0.0125 0.0003 0.0191 88 GLU U OE1 +22220 O OE2 . GLU O 88 ? 0.8269 0.6411 0.6035 -0.0165 0.0056 0.0185 88 GLU U OE2 +22221 N N . THR O 89 ? 0.7818 0.5871 0.5467 -0.0181 0.0134 0.0185 89 THR U N +22222 C CA . THR O 89 ? 0.9039 0.7136 0.6754 -0.0206 0.0170 0.0181 89 THR U CA +22223 C C . THR O 89 ? 0.9032 0.7208 0.6841 -0.0208 0.0152 0.0167 89 THR U C +22224 O O . THR O 89 ? 0.9230 0.7434 0.7072 -0.0219 0.0175 0.0159 89 THR U O +22225 C CB . THR O 89 ? 0.8700 0.6797 0.6439 -0.0225 0.0190 0.0191 89 THR U CB +22226 O OG1 . THR O 89 ? 1.1055 0.9073 0.8701 -0.0224 0.0211 0.0203 89 THR U OG1 +22227 C CG2 . THR O 89 ? 0.8755 0.6900 0.6563 -0.0252 0.0226 0.0186 89 THR U CG2 +22228 N N . ALA O 90 ? 0.8562 0.6772 0.6411 -0.0198 0.0111 0.0166 90 ALA U N +22229 C CA . ALA O 90 ? 0.8731 0.7013 0.6670 -0.0201 0.0095 0.0155 90 ALA U CA +22230 C C . ALA O 90 ? 0.8870 0.7157 0.6799 -0.0191 0.0086 0.0142 90 ALA U C +22231 O O . ALA O 90 ? 0.8245 0.6583 0.6239 -0.0198 0.0088 0.0132 90 ALA U O +22232 C CB . ALA O 90 ? 0.7630 0.5945 0.5610 -0.0192 0.0055 0.0156 90 ALA U CB +22233 N N . LEU O 91 ? 0.7409 0.5643 0.5257 -0.0174 0.0074 0.0142 91 LEU U N +22234 C CA . LEU O 91 ? 0.7876 0.6107 0.5705 -0.0164 0.0065 0.0130 91 LEU U CA +22235 C C . LEU O 91 ? 0.8630 0.6836 0.6426 -0.0172 0.0108 0.0126 91 LEU U C +22236 O O . LEU O 91 ? 0.8019 0.6234 0.5817 -0.0168 0.0106 0.0114 91 LEU U O +22237 C CB . LEU O 91 ? 0.6925 0.5111 0.4682 -0.0141 0.0030 0.0129 91 LEU U CB +22238 C CG . LEU O 91 ? 0.7675 0.5898 0.5476 -0.0131 -0.0016 0.0128 91 LEU U CG +22239 C CD1 . LEU O 91 ? 0.7614 0.5792 0.5341 -0.0107 -0.0050 0.0129 91 LEU U CD1 +22240 C CD2 . LEU O 91 ? 0.7567 0.5855 0.5449 -0.0135 -0.0034 0.0115 91 LEU U CD2 +22241 N N . VAL O 92 ? 0.7904 0.6078 0.5669 -0.0184 0.0146 0.0136 92 VAL U N +22242 C CA . VAL O 92 ? 0.7496 0.5640 0.5218 -0.0191 0.0186 0.0133 92 VAL U CA +22243 C C . VAL O 92 ? 0.7954 0.6138 0.5738 -0.0214 0.0227 0.0132 92 VAL U C +22244 O O . VAL O 92 ? 0.8365 0.6544 0.6138 -0.0219 0.0260 0.0126 92 VAL U O +22245 C CB . VAL O 92 ? 0.8743 0.6802 0.6355 -0.0184 0.0201 0.0144 92 VAL U CB +22246 C CG1 . VAL O 92 ? 0.7810 0.5830 0.5357 -0.0158 0.0159 0.0143 92 VAL U CG1 +22247 C CG2 . VAL O 92 ? 0.7425 0.5465 0.5031 -0.0197 0.0221 0.0159 92 VAL U CG2 +22248 N N . GLU O 93 ? 0.7254 0.5479 0.5106 -0.0228 0.0228 0.0137 93 GLU U N +22249 C CA . GLU O 93 ? 0.7188 0.5459 0.5107 -0.0250 0.0262 0.0134 93 GLU U CA +22250 C C . GLU O 93 ? 0.8239 0.6571 0.6228 -0.0247 0.0253 0.0119 93 GLU U C +22251 O O . GLU O 93 ? 0.7677 0.6017 0.5668 -0.0231 0.0219 0.0112 93 GLU U O +22252 C CB . GLU O 93 ? 0.7556 0.5854 0.5526 -0.0265 0.0262 0.0142 93 GLU U CB +22253 C CG . GLU O 93 ? 0.8370 0.6610 0.6278 -0.0272 0.0280 0.0156 93 GLU U CG +22254 C CD . GLU O 93 ? 0.8668 0.6883 0.6548 -0.0290 0.0332 0.0158 93 GLU U CD +22255 O OE1 . GLU O 93 ? 0.8944 0.7205 0.6879 -0.0302 0.0357 0.0148 93 GLU U OE1 +22256 O OE2 . GLU O 93 ? 1.1371 0.9521 0.9173 -0.0292 0.0349 0.0169 93 GLU U OE2 +22257 N N . GLY O 94 ? 0.7623 0.5998 0.5671 -0.0264 0.0285 0.0114 94 GLY U N +22258 C CA . GLY O 94 ? 0.7505 0.5936 0.5620 -0.0261 0.0280 0.0101 94 GLY U CA +22259 C C . GLY O 94 ? 0.7735 0.6146 0.5811 -0.0247 0.0283 0.0090 94 GLY U C +22260 O O . GLY O 94 ? 0.8204 0.6655 0.6329 -0.0242 0.0273 0.0079 94 GLY U O +22261 N N . GLY O 95 ? 0.7679 0.6025 0.5665 -0.0240 0.0296 0.0093 95 GLY U N +22262 C CA . GLY O 95 ? 0.6888 0.5210 0.4830 -0.0225 0.0293 0.0083 95 GLY U CA +22263 C C . GLY O 95 ? 0.7695 0.6019 0.5635 -0.0207 0.0244 0.0077 95 GLY U C +22264 O O . GLY O 95 ? 0.7365 0.5688 0.5297 -0.0196 0.0236 0.0065 95 GLY U O +22265 N N . ASP O 96 ? 0.7406 0.5733 0.5355 -0.0206 0.0211 0.0086 96 ASP U N +22266 C CA . ASP O 96 ? 0.7754 0.6096 0.5720 -0.0192 0.0164 0.0080 96 ASP U CA +22267 C C . ASP O 96 ? 0.7268 0.5557 0.5153 -0.0174 0.0145 0.0075 96 ASP U C +22268 O O . ASP O 96 ? 0.7815 0.6118 0.5713 -0.0164 0.0112 0.0066 96 ASP U O +22269 C CB . ASP O 96 ? 0.7449 0.5810 0.5447 -0.0195 0.0137 0.0090 96 ASP U CB +22270 C CG . ASP O 96 ? 0.7806 0.6234 0.5901 -0.0210 0.0142 0.0090 96 ASP U CG +22271 O OD1 . ASP O 96 ? 0.7242 0.5700 0.5378 -0.0217 0.0166 0.0082 96 ASP U OD1 +22272 O OD2 . ASP O 96 ? 0.7178 0.5627 0.5308 -0.0213 0.0122 0.0097 96 ASP U OD2 +22273 N N . ARG O 97 ? 0.7197 0.5424 0.4995 -0.0170 0.0164 0.0081 97 ARG U N +22274 C CA . ARG O 97 ? 0.8014 0.6190 0.5732 -0.0151 0.0147 0.0075 97 ARG U CA +22275 C C . ARG O 97 ? 0.7993 0.6178 0.5716 -0.0148 0.0157 0.0059 97 ARG U C +22276 O O . ARG O 97 ? 0.8485 0.6644 0.6166 -0.0133 0.0132 0.0050 97 ARG U O +22277 C CB . ARG O 97 ? 0.7786 0.5890 0.5404 -0.0147 0.0168 0.0084 97 ARG U CB +22278 C CG . ARG O 97 ? 0.8008 0.6088 0.5601 -0.0145 0.0153 0.0099 97 ARG U CG +22279 C CD . ARG O 97 ? 0.8197 0.6196 0.5676 -0.0133 0.0159 0.0107 97 ARG U CD +22280 N NE . ARG O 97 ? 0.8278 0.6247 0.5703 -0.0111 0.0120 0.0098 97 ARG U NE +22281 C CZ . ARG O 97 ? 0.8795 0.6692 0.6116 -0.0095 0.0118 0.0102 97 ARG U CZ +22282 N NH1 . ARG O 97 ? 0.7670 0.5514 0.4927 -0.0100 0.0155 0.0114 97 ARG U NH1 +22283 N NH2 . ARG O 97 ? 0.8303 0.6181 0.5583 -0.0075 0.0077 0.0093 97 ARG U NH2 +22284 N N . TYR O 98 ? 0.7491 0.5710 0.5265 -0.0160 0.0193 0.0055 98 TYR U N +22285 C CA . TYR O 98 ? 0.7976 0.6205 0.5759 -0.0155 0.0203 0.0040 98 TYR U CA +22286 C C . TYR O 98 ? 0.8534 0.6821 0.6399 -0.0155 0.0176 0.0031 98 TYR U C +22287 O O . TYR O 98 ? 0.8354 0.6638 0.6214 -0.0145 0.0165 0.0018 98 TYR U O +22288 C CB . TYR O 98 ? 0.8141 0.6377 0.5933 -0.0166 0.0256 0.0040 98 TYR U CB +22289 C CG . TYR O 98 ? 0.9080 0.7254 0.6784 -0.0166 0.0286 0.0048 98 TYR U CG +22290 C CD1 . TYR O 98 ? 0.8526 0.6642 0.6143 -0.0151 0.0289 0.0042 98 TYR U CD1 +22291 C CD2 . TYR O 98 ? 0.7847 0.6014 0.5548 -0.0180 0.0309 0.0062 98 TYR U CD2 +22292 C CE1 . TYR O 98 ? 0.8511 0.6565 0.6040 -0.0150 0.0316 0.0050 98 TYR U CE1 +22293 C CE2 . TYR O 98 ? 0.8644 0.6747 0.6257 -0.0181 0.0337 0.0071 98 TYR U CE2 +22294 C CZ . TYR O 98 ? 1.0259 0.8305 0.7785 -0.0165 0.0341 0.0065 98 TYR U CZ +22295 O OH . TYR O 98 ? 0.9468 0.7446 0.6902 -0.0165 0.0369 0.0074 98 TYR U OH +22296 N N . ASN O 99 ? 0.8088 0.6424 0.6027 -0.0166 0.0166 0.0038 99 ASN U N +22297 C CA . ASN O 99 ? 0.7697 0.6088 0.5716 -0.0167 0.0143 0.0030 99 ASN U CA +22298 C C . ASN O 99 ? 0.8261 0.6683 0.6329 -0.0176 0.0124 0.0041 99 ASN U C +22299 O O . ASN O 99 ? 0.7682 0.6125 0.5782 -0.0189 0.0147 0.0050 99 ASN U O +22300 C CB . ASN O 99 ? 0.6864 0.5293 0.4937 -0.0173 0.0174 0.0022 99 ASN U CB +22301 C CG . ASN O 99 ? 0.7664 0.6141 0.5810 -0.0172 0.0150 0.0014 99 ASN U CG +22302 O OD1 . ASN O 99 ? 0.7156 0.5656 0.5338 -0.0175 0.0119 0.0018 99 ASN U OD1 +22303 N ND2 . ASN O 99 ? 0.7009 0.5501 0.5177 -0.0168 0.0166 0.0002 99 ASN U ND2 +22304 N N . ASN O 100 ? 0.6567 0.4992 0.4638 -0.0169 0.0082 0.0041 100 ASN U N +22305 C CA . ASN O 100 ? 0.7236 0.5686 0.5344 -0.0175 0.0061 0.0051 100 ASN U CA +22306 C C . ASN O 100 ? 0.7618 0.6126 0.5811 -0.0179 0.0040 0.0047 100 ASN U C +22307 O O . ASN O 100 ? 0.7278 0.5805 0.5498 -0.0180 0.0013 0.0052 100 ASN U O +22308 C CB . ASN O 100 ? 0.7683 0.6093 0.5731 -0.0163 0.0030 0.0055 100 ASN U CB +22309 C CG . ASN O 100 ? 0.7978 0.6385 0.6014 -0.0152 -0.0006 0.0043 100 ASN U CG +22310 O OD1 . ASN O 100 ? 0.7494 0.5921 0.5562 -0.0153 -0.0007 0.0032 100 ASN U OD1 +22311 N ND2 . ASN O 100 ? 0.7425 0.5805 0.5417 -0.0141 -0.0038 0.0045 100 ASN U ND2 +22312 N N A GLY O 101 ? 0.7150 0.5685 0.5384 -0.0182 0.0053 0.0037 101 GLY U N +22313 N N B GLY O 101 ? 0.7143 0.5676 0.5375 -0.0182 0.0053 0.0037 101 GLY U N +22314 C CA A GLY O 101 ? 0.7186 0.5772 0.5497 -0.0186 0.0038 0.0033 101 GLY U CA +22315 C CA B GLY O 101 ? 0.7187 0.5772 0.5497 -0.0186 0.0038 0.0033 101 GLY U CA +22316 C C A GLY O 101 ? 0.7760 0.6347 0.6073 -0.0179 0.0000 0.0025 101 GLY U C +22317 C C B GLY O 101 ? 0.7768 0.6354 0.6081 -0.0179 0.0000 0.0025 101 GLY U C +22318 O O A GLY O 101 ? 0.8069 0.6695 0.6444 -0.0183 -0.0013 0.0022 101 GLY U O +22319 O O B GLY O 101 ? 0.8096 0.6722 0.6471 -0.0183 -0.0014 0.0022 101 GLY U O +22320 N N . LEU O 102 ? 0.7612 0.6156 0.5861 -0.0169 -0.0016 0.0020 102 LEU U N +22321 C CA . LEU O 102 ? 0.7204 0.5746 0.5451 -0.0164 -0.0053 0.0011 102 LEU U CA +22322 C C . LEU O 102 ? 0.7546 0.6064 0.5762 -0.0157 -0.0047 -0.0003 102 LEU U C +22323 O O . LEU O 102 ? 0.8208 0.6685 0.6362 -0.0150 -0.0028 -0.0006 102 LEU U O +22324 C CB . LEU O 102 ? 0.7879 0.6392 0.6074 -0.0156 -0.0082 0.0014 102 LEU U CB +22325 C CG . LEU O 102 ? 0.9823 0.8365 0.8055 -0.0160 -0.0105 0.0023 102 LEU U CG +22326 C CD1 . LEU O 102 ? 0.8681 0.7230 0.6925 -0.0166 -0.0079 0.0037 102 LEU U CD1 +22327 C CD2 . LEU O 102 ? 0.8892 0.7409 0.7077 -0.0149 -0.0139 0.0022 102 LEU U CD2 +22328 N N A TYR O 103 ? 0.7717 0.6258 0.5975 -0.0158 -0.0061 -0.0013 103 TYR U N +22329 N N B TYR O 103 ? 0.7712 0.6253 0.5970 -0.0158 -0.0062 -0.0013 103 TYR U N +22330 C CA A TYR O 103 ? 0.7901 0.6416 0.6129 -0.0151 -0.0062 -0.0027 103 TYR U CA +22331 C CA B TYR O 103 ? 0.7904 0.6419 0.6133 -0.0151 -0.0061 -0.0027 103 TYR U CA +22332 C C A TYR O 103 ? 0.8147 0.6662 0.6378 -0.0151 -0.0104 -0.0035 103 TYR U C +22333 C C B TYR O 103 ? 0.8119 0.6632 0.6348 -0.0151 -0.0103 -0.0036 103 TYR U C +22334 O O A TYR O 103 ? 0.9642 0.8154 0.7858 -0.0151 -0.0128 -0.0030 103 TYR U O +22335 O O B TYR O 103 ? 0.9998 0.8498 0.8198 -0.0148 -0.0127 -0.0033 103 TYR U O +22336 C CB A TYR O 103 ? 0.7572 0.6112 0.5847 -0.0153 -0.0038 -0.0032 103 TYR U CB +22337 C CB B TYR O 103 ? 0.7558 0.6101 0.5837 -0.0154 -0.0037 -0.0032 103 TYR U CB +22338 C CG A TYR O 103 ? 0.7383 0.5931 0.5664 -0.0155 0.0003 -0.0025 103 TYR U CG +22339 C CG B TYR O 103 ? 0.7374 0.5925 0.5659 -0.0156 0.0004 -0.0025 103 TYR U CG +22340 C CD1 A TYR O 103 ? 0.7906 0.6419 0.6131 -0.0148 0.0031 -0.0029 103 TYR U CD1 +22341 C CD1 B TYR O 103 ? 0.7922 0.6437 0.6149 -0.0149 0.0031 -0.0029 103 TYR U CD1 +22342 C CD2 A TYR O 103 ? 0.7584 0.6177 0.5927 -0.0165 0.0015 -0.0015 103 TYR U CD2 +22343 C CD2 B TYR O 103 ? 0.7600 0.6195 0.5946 -0.0165 0.0015 -0.0014 103 TYR U CD2 +22344 C CE1 A TYR O 103 ? 0.6999 0.5522 0.5232 -0.0152 0.0071 -0.0024 103 TYR U CE1 +22345 C CE1 B TYR O 103 ? 0.6989 0.5513 0.5224 -0.0152 0.0071 -0.0023 103 TYR U CE1 +22346 C CE2 A TYR O 103 ? 0.6713 0.5316 0.5065 -0.0168 0.0052 -0.0010 103 TYR U CE2 +22347 C CE2 B TYR O 103 ? 0.6692 0.5296 0.5045 -0.0169 0.0053 -0.0009 103 TYR U CE2 +22348 C CZ A TYR O 103 ? 0.7233 0.5801 0.5530 -0.0162 0.0080 -0.0014 103 TYR U CZ +22349 C CZ B TYR O 103 ? 0.7221 0.5790 0.5519 -0.0163 0.0080 -0.0013 103 TYR U CZ +22350 O OH A TYR O 103 ? 0.6478 0.5058 0.4785 -0.0168 0.0119 -0.0010 103 TYR U OH +22351 O OH B TYR O 103 ? 0.6466 0.5047 0.4774 -0.0168 0.0119 -0.0009 103 TYR U OH +22352 N N A LYS O 104 ? 0.7376 0.5898 0.5632 -0.0153 -0.0115 -0.0046 104 LYS U N +22353 N N B LYS O 104 ? 0.7341 0.5866 0.5601 -0.0153 -0.0113 -0.0046 104 LYS U N +22354 C CA A LYS O 104 ? 0.8342 0.6871 0.6610 -0.0156 -0.0155 -0.0052 104 LYS U CA +22355 C CA B LYS O 104 ? 0.8372 0.6902 0.6643 -0.0156 -0.0152 -0.0053 104 LYS U CA +22356 C C A LYS O 104 ? 0.9402 0.7981 0.7744 -0.0167 -0.0167 -0.0043 104 LYS U C +22357 C C B LYS O 104 ? 0.9438 0.8017 0.7781 -0.0167 -0.0165 -0.0044 104 LYS U C +22358 O O A LYS O 104 ? 0.8146 0.6754 0.6536 -0.0172 -0.0147 -0.0037 104 LYS U O +22359 O O B LYS O 104 ? 0.8191 0.6801 0.6585 -0.0172 -0.0146 -0.0038 104 LYS U O +22360 C CB A LYS O 104 ? 0.8147 0.6659 0.6408 -0.0155 -0.0163 -0.0069 104 LYS U CB +22361 C CB B LYS O 104 ? 0.8116 0.6627 0.6378 -0.0154 -0.0160 -0.0069 104 LYS U CB +22362 C CG A LYS O 104 ? 0.8129 0.6587 0.6311 -0.0144 -0.0162 -0.0080 104 LYS U CG +22363 C CG B LYS O 104 ? 0.8115 0.6573 0.6297 -0.0143 -0.0160 -0.0080 104 LYS U CG +22364 C CD A LYS O 104 ? 0.8272 0.6711 0.6417 -0.0142 -0.0200 -0.0085 104 LYS U CD +22365 C CD B LYS O 104 ? 0.8265 0.6705 0.6409 -0.0142 -0.0196 -0.0084 104 LYS U CD +22366 C CE A LYS O 104 ? 0.7851 0.6235 0.5915 -0.0131 -0.0202 -0.0098 104 LYS U CE +22367 C CE B LYS O 104 ? 0.7848 0.6233 0.5911 -0.0131 -0.0199 -0.0097 104 LYS U CE +22368 N NZ A LYS O 104 ? 0.8022 0.6392 0.6054 -0.0129 -0.0241 -0.0104 104 LYS U NZ +22369 N NZ B LYS O 104 ? 0.8029 0.6400 0.6063 -0.0129 -0.0240 -0.0104 104 LYS U NZ +22370 O OXT A LYS O 104 ? 0.9585 0.8178 0.7940 -0.0171 -0.0197 -0.0042 104 LYS U OXT +22371 O OXT B LYS O 104 ? 0.9628 0.8220 0.7983 -0.0171 -0.0195 -0.0042 104 LYS U OXT +22372 N N . ALA P 1 ? 0.8726 0.7128 0.7214 -0.0530 -0.0711 -0.0394 1 ALA V N +22373 C CA . ALA P 1 ? 0.8447 0.6814 0.6864 -0.0499 -0.0713 -0.0398 1 ALA V CA +22374 C C . ALA P 1 ? 0.9071 0.7360 0.7428 -0.0492 -0.0696 -0.0405 1 ALA V C +22375 O O . ALA P 1 ? 0.8368 0.6635 0.6740 -0.0499 -0.0671 -0.0397 1 ALA V O +22376 C CB . ALA P 1 ? 0.7701 0.6101 0.6125 -0.0470 -0.0693 -0.0374 1 ALA V CB +22377 N N A GLU P 2 ? 0.8885 0.7128 0.7171 -0.0476 -0.0708 -0.0421 2 GLU V N +22378 N N B GLU P 2 ? 0.8886 0.7129 0.7173 -0.0477 -0.0708 -0.0421 2 GLU V N +22379 C CA A GLU P 2 ? 0.9227 0.7393 0.7452 -0.0469 -0.0695 -0.0432 2 GLU V CA +22380 C CA B GLU P 2 ? 0.9213 0.7380 0.7439 -0.0469 -0.0694 -0.0431 2 GLU V CA +22381 C C A GLU P 2 ? 0.8853 0.6986 0.7005 -0.0436 -0.0690 -0.0434 2 GLU V C +22382 C C B GLU P 2 ? 0.8821 0.6957 0.6975 -0.0434 -0.0687 -0.0431 2 GLU V C +22383 O O A GLU P 2 ? 0.9095 0.7255 0.7234 -0.0423 -0.0708 -0.0434 2 GLU V O +22384 O O B GLU P 2 ? 0.8925 0.7091 0.7070 -0.0420 -0.0702 -0.0429 2 GLU V O +22385 C CB A GLU P 2 ? 0.8942 0.7073 0.7154 -0.0499 -0.0722 -0.0459 2 GLU V CB +22386 C CB B GLU P 2 ? 0.8947 0.7074 0.7153 -0.0496 -0.0720 -0.0458 2 GLU V CB +22387 C CG A GLU P 2 ? 1.0385 0.8430 0.8528 -0.0493 -0.0712 -0.0473 2 GLU V CG +22388 C CG B GLU P 2 ? 0.8202 0.6328 0.6459 -0.0527 -0.0712 -0.0457 2 GLU V CG +22389 C CD A GLU P 2 ? 1.0427 0.8443 0.8577 -0.0486 -0.0673 -0.0457 2 GLU V CD +22390 C CD B GLU P 2 ? 1.0732 0.8831 0.8983 -0.0560 -0.0741 -0.0484 2 GLU V CD +22391 O OE1 A GLU P 2 ? 0.8481 0.6495 0.6614 -0.0456 -0.0645 -0.0440 2 GLU V OE1 +22392 O OE1 B GLU P 2 ? 1.1267 0.9356 0.9481 -0.0560 -0.0771 -0.0505 2 GLU V OE1 +22393 O OE2 A GLU P 2 ? 0.9154 0.7147 0.7324 -0.0511 -0.0671 -0.0462 2 GLU V OE2 +22394 O OE2 B GLU P 2 ? 1.2444 1.0527 1.0724 -0.0587 -0.0733 -0.0485 2 GLU V OE2 +22395 N N . LEU P 3 ? 0.9040 0.7114 0.7143 -0.0419 -0.0664 -0.0433 3 LEU V N +22396 C CA . LEU P 3 ? 1.0311 0.8344 0.8339 -0.0388 -0.0656 -0.0436 3 LEU V CA +22397 C C . LEU P 3 ? 0.9521 0.7509 0.7492 -0.0396 -0.0688 -0.0465 3 LEU V C +22398 O O . LEU P 3 ? 1.0347 0.8278 0.8287 -0.0404 -0.0687 -0.0481 3 LEU V O +22399 C CB . LEU P 3 ? 0.8637 0.6627 0.6639 -0.0369 -0.0616 -0.0427 3 LEU V CB +22400 C CG . LEU P 3 ? 1.0139 0.8095 0.8074 -0.0335 -0.0596 -0.0425 3 LEU V CG +22401 C CD1 . LEU P 3 ? 1.0460 0.8468 0.8416 -0.0318 -0.0585 -0.0403 3 LEU V CD1 +22402 C CD2 . LEU P 3 ? 0.9484 0.7392 0.7397 -0.0321 -0.0562 -0.0422 3 LEU V CD2 +22403 N N . THR P 4 ? 0.9984 0.7995 0.7941 -0.0393 -0.0718 -0.0473 4 THR V N +22404 C CA . THR P 4 ? 0.9748 0.7726 0.7658 -0.0402 -0.0754 -0.0502 4 THR V CA +22405 C C . THR P 4 ? 1.1414 0.9340 0.9232 -0.0371 -0.0752 -0.0509 4 THR V C +22406 O O . THR P 4 ? 1.0157 0.8084 0.7954 -0.0344 -0.0725 -0.0491 4 THR V O +22407 C CB . THR P 4 ? 0.9052 0.7093 0.7007 -0.0419 -0.0793 -0.0508 4 THR V CB +22408 O OG1 . THR P 4 ? 0.9920 0.7999 0.7873 -0.0395 -0.0792 -0.0492 4 THR V OG1 +22409 C CG2 . THR P 4 ? 0.9032 0.7125 0.7079 -0.0451 -0.0793 -0.0500 4 THR V CG2 +22410 N N . PRO P 5 ? 1.1418 0.9295 0.9177 -0.0376 -0.0779 -0.0536 5 PRO V N +22411 C CA . PRO P 5 ? 0.9810 0.7640 0.7479 -0.0347 -0.0780 -0.0544 5 PRO V CA +22412 C C . PRO P 5 ? 0.8378 0.6249 0.6040 -0.0327 -0.0790 -0.0532 5 PRO V C +22413 O O . PRO P 5 ? 0.9339 0.7180 0.6939 -0.0297 -0.0771 -0.0525 5 PRO V O +22414 C CB . PRO P 5 ? 1.0122 0.7907 0.7745 -0.0362 -0.0818 -0.0577 5 PRO V CB +22415 C CG . PRO P 5 ? 1.0425 0.8203 0.8095 -0.0394 -0.0817 -0.0584 5 PRO V CG +22416 C CD . PRO P 5 ? 0.9774 0.7628 0.7541 -0.0407 -0.0804 -0.0560 5 PRO V CD +22417 N N . GLU P 6 ? 0.9846 0.7783 0.7569 -0.0342 -0.0816 -0.0529 6 GLU V N +22418 C CA . GLU P 6 ? 1.0502 0.8480 0.8224 -0.0322 -0.0823 -0.0515 6 GLU V CA +22419 C C . GLU P 6 ? 1.0185 0.8176 0.7918 -0.0301 -0.0778 -0.0485 6 GLU V C +22420 O O . GLU P 6 ? 1.0178 0.8152 0.7857 -0.0273 -0.0766 -0.0477 6 GLU V O +22421 C CB . GLU P 6 ? 0.9826 0.7880 0.7626 -0.0342 -0.0855 -0.0515 6 GLU V CB +22422 C CG . GLU P 6 ? 1.4178 1.2232 1.1969 -0.0361 -0.0905 -0.0545 6 GLU V CG +22423 C CD . GLU P 6 ? 1.5160 1.3185 1.2966 -0.0392 -0.0911 -0.0565 6 GLU V CD +22424 O OE1 . GLU P 6 ? 1.3668 1.1679 1.1499 -0.0401 -0.0878 -0.0554 6 GLU V OE1 +22425 O OE2 . GLU P 6 ? 1.8406 1.6424 1.6199 -0.0408 -0.0951 -0.0591 6 GLU V OE2 +22426 N N . VAL P 7 ? 0.9108 0.7126 0.6908 -0.0314 -0.0752 -0.0470 7 VAL V N +22427 C CA . VAL P 7 ? 1.0453 0.8483 0.8267 -0.0295 -0.0709 -0.0443 7 VAL V CA +22428 C C . VAL P 7 ? 0.9714 0.7679 0.7450 -0.0271 -0.0680 -0.0444 7 VAL V C +22429 O O . VAL P 7 ? 0.9515 0.7480 0.7226 -0.0247 -0.0654 -0.0428 7 VAL V O +22430 C CB . VAL P 7 ? 1.0365 0.8429 0.8260 -0.0314 -0.0688 -0.0430 7 VAL V CB +22431 C CG1 . VAL P 7 ? 0.9179 0.7256 0.7088 -0.0295 -0.0645 -0.0404 7 VAL V CG1 +22432 C CG2 . VAL P 7 ? 0.9068 0.7199 0.7040 -0.0338 -0.0714 -0.0428 7 VAL V CG2 +22433 N N . LEU P 8 ? 0.8556 0.6464 0.6252 -0.0276 -0.0681 -0.0464 8 LEU V N +22434 C CA . LEU P 8 ? 0.9564 0.7409 0.7190 -0.0254 -0.0652 -0.0466 8 LEU V CA +22435 C C . LEU P 8 ? 0.8745 0.6546 0.6280 -0.0232 -0.0664 -0.0478 8 LEU V C +22436 O O . LEU P 8 ? 0.9167 0.6913 0.6637 -0.0213 -0.0640 -0.0482 8 LEU V O +22437 C CB . LEU P 8 ? 1.0379 0.8177 0.7998 -0.0267 -0.0648 -0.0482 8 LEU V CB +22438 C CG . LEU P 8 ? 1.0502 0.8331 0.8200 -0.0284 -0.0627 -0.0469 8 LEU V CG +22439 C CD1 . LEU P 8 ? 0.8747 0.6533 0.6444 -0.0303 -0.0635 -0.0487 8 LEU V CD1 +22440 C CD2 . LEU P 8 ? 0.9008 0.6841 0.6713 -0.0261 -0.0581 -0.0446 8 LEU V CD2 +22441 N N . THR P 9 ? 0.8904 0.6728 0.6431 -0.0234 -0.0700 -0.0484 9 THR V N +22442 C CA . THR P 9 ? 0.9919 0.7703 0.7357 -0.0212 -0.0714 -0.0494 9 THR V CA +22443 C C . THR P 9 ? 0.9743 0.7549 0.7170 -0.0188 -0.0691 -0.0470 9 THR V C +22444 O O . THR P 9 ? 0.9418 0.7284 0.6901 -0.0193 -0.0698 -0.0455 9 THR V O +22445 C CB . THR P 9 ? 1.0096 0.7891 0.7526 -0.0225 -0.0768 -0.0514 9 THR V CB +22446 O OG1 . THR P 9 ? 0.9780 0.7553 0.7219 -0.0249 -0.0789 -0.0538 9 THR V OG1 +22447 C CG2 . THR P 9 ? 0.8262 0.6014 0.5596 -0.0200 -0.0783 -0.0524 9 THR V CG2 +22448 N N . VAL P 10 ? 1.0036 0.7792 0.7388 -0.0163 -0.0662 -0.0467 10 VAL V N +22449 C CA . VAL P 10 ? 0.9867 0.7636 0.7206 -0.0142 -0.0632 -0.0444 10 VAL V CA +22450 C C . VAL P 10 ? 1.0877 0.8588 0.8109 -0.0117 -0.0635 -0.0452 10 VAL V C +22451 O O . VAL P 10 ? 0.9624 0.7279 0.6793 -0.0115 -0.0649 -0.0474 10 VAL V O +22452 C CB . VAL P 10 ? 0.9526 0.7300 0.6896 -0.0136 -0.0580 -0.0426 10 VAL V CB +22453 C CG1 . VAL P 10 ? 0.8426 0.6260 0.5900 -0.0159 -0.0578 -0.0415 10 VAL V CG1 +22454 C CG2 . VAL P 10 ? 0.8646 0.6356 0.5961 -0.0128 -0.0559 -0.0440 10 VAL V CG2 +22455 N N . PRO P 11 ? 0.9865 0.7583 0.7071 -0.0099 -0.0621 -0.0434 11 PRO V N +22456 C CA . PRO P 11 ? 0.8483 0.6142 0.5583 -0.0074 -0.0618 -0.0440 11 PRO V CA +22457 C C . PRO P 11 ? 0.9864 0.7466 0.6909 -0.0061 -0.0577 -0.0444 11 PRO V C +22458 O O . PRO P 11 ? 0.8990 0.6607 0.6069 -0.0058 -0.0533 -0.0427 11 PRO V O +22459 C CB . PRO P 11 ? 0.9055 0.6740 0.6154 -0.0060 -0.0605 -0.0415 11 PRO V CB +22460 C CG . PRO P 11 ? 0.9013 0.6775 0.6217 -0.0079 -0.0617 -0.0402 11 PRO V CG +22461 C CD . PRO P 11 ? 0.8792 0.6572 0.6063 -0.0100 -0.0609 -0.0408 11 PRO V CD +22462 N N . LEU P 12 ? 0.9489 0.7027 0.6449 -0.0052 -0.0591 -0.0466 12 LEU V N +22463 C CA . LEU P 12 ? 0.9196 0.6674 0.6090 -0.0036 -0.0553 -0.0471 12 LEU V CA +22464 C C . LEU P 12 ? 0.9233 0.6686 0.6060 -0.0011 -0.0521 -0.0456 12 LEU V C +22465 O O . LEU P 12 ? 0.9522 0.6963 0.6341 0.0000 -0.0473 -0.0445 12 LEU V O +22466 C CB . LEU P 12 ? 0.9946 0.7362 0.6770 -0.0035 -0.0580 -0.0501 12 LEU V CB +22467 C CG . LEU P 12 ? 1.0685 0.8031 0.7428 -0.0016 -0.0545 -0.0510 12 LEU V CG +22468 C CD1 . LEU P 12 ? 0.9042 0.6401 0.5842 -0.0020 -0.0504 -0.0504 12 LEU V CD1 +22469 C CD2 . LEU P 12 ? 1.0776 0.8059 0.7443 -0.0016 -0.0581 -0.0542 12 LEU V CD2 +22470 N N . ASN P 13 ? 0.8972 0.6418 0.5750 -0.0001 -0.0548 -0.0454 13 ASN V N +22471 C CA . ASN P 13 ? 1.0778 0.8193 0.7484 0.0022 -0.0519 -0.0440 13 ASN V CA +22472 C C . ASN P 13 ? 1.0968 0.8415 0.7681 0.0025 -0.0545 -0.0426 13 ASN V C +22473 O O . ASN P 13 ? 1.0323 0.7822 0.7105 0.0009 -0.0581 -0.0427 13 ASN V O +22474 C CB . ASN P 13 ? 1.0219 0.7551 0.6806 0.0041 -0.0518 -0.0458 13 ASN V CB +22475 C CG . ASN P 13 ? 1.1041 0.8347 0.7584 0.0038 -0.0577 -0.0483 13 ASN V CG +22476 O OD1 . ASN P 13 ? 1.0543 0.7887 0.7118 0.0030 -0.0619 -0.0483 13 ASN V OD1 +22477 N ND2 . ASN P 13 ? 1.1122 0.8364 0.7591 0.0045 -0.0580 -0.0506 13 ASN V ND2 +22478 N N . SER P 14 ? 1.1431 0.8845 0.8070 0.0046 -0.0526 -0.0414 14 SER V N +22479 C CA . SER P 14 ? 1.2437 0.9873 0.9073 0.0052 -0.0546 -0.0399 14 SER V CA +22480 C C . SER P 14 ? 1.2868 1.0284 0.9453 0.0057 -0.0605 -0.0417 14 SER V C +22481 O O . SER P 14 ? 1.2619 1.0068 0.9223 0.0058 -0.0634 -0.0409 14 SER V O +22482 C CB . SER P 14 ? 1.2504 0.9907 0.9075 0.0072 -0.0503 -0.0379 14 SER V CB +22483 O OG . SER P 14 ? 1.4041 1.1466 1.0661 0.0067 -0.0449 -0.0363 14 SER V OG +22484 N N . GLU P 15 ? 1.0303 0.7667 0.6824 0.0061 -0.0624 -0.0443 15 GLU V N +22485 C CA . GLU P 15 ? 1.3019 1.0359 0.9482 0.0068 -0.0680 -0.0461 15 GLU V CA +22486 C C . GLU P 15 ? 1.1454 0.8848 0.7998 0.0045 -0.0731 -0.0477 15 GLU V C +22487 O O . GLU P 15 ? 1.5077 1.2459 1.1584 0.0048 -0.0782 -0.0495 15 GLU V O +22488 C CB . GLU P 15 ? 1.2251 0.9509 0.8606 0.0081 -0.0681 -0.0483 15 GLU V CB +22489 C CG . GLU P 15 ? 1.6109 1.3312 1.2387 0.0102 -0.0624 -0.0470 15 GLU V CG +22490 C CD . GLU P 15 ? 2.1925 1.9058 1.8074 0.0127 -0.0637 -0.0476 15 GLU V CD +22491 O OE1 . GLU P 15 ? 2.2579 1.9654 1.8653 0.0134 -0.0652 -0.0500 15 GLU V OE1 +22492 O OE2 . GLU P 15 ? 2.0770 1.7903 1.6891 0.0141 -0.0634 -0.0457 15 GLU V OE2 +22493 N N . GLY P 16 ? 1.2745 1.0199 0.9397 0.0022 -0.0720 -0.0469 16 GLY V N +22494 C CA . GLY P 16 ? 1.3797 1.1306 1.0531 -0.0001 -0.0764 -0.0482 16 GLY V CA +22495 C C . GLY P 16 ? 1.3585 1.1078 1.0334 -0.0020 -0.0777 -0.0507 16 GLY V C +22496 O O . GLY P 16 ? 1.2942 1.0475 0.9751 -0.0041 -0.0816 -0.0521 16 GLY V O +22497 N N . LYS P 17 ? 1.0161 0.7596 0.6855 -0.0013 -0.0745 -0.0514 17 LYS V N +22498 C CA . LYS P 17 ? 1.0224 0.7645 0.6941 -0.0032 -0.0751 -0.0536 17 LYS V CA +22499 C C . LYS P 17 ? 1.0352 0.7831 0.7181 -0.0053 -0.0726 -0.0522 17 LYS V C +22500 O O . LYS P 17 ? 0.9698 0.7197 0.6555 -0.0047 -0.0682 -0.0498 17 LYS V O +22501 C CB . LYS P 17 ? 1.0142 0.7484 0.6768 -0.0016 -0.0722 -0.0547 17 LYS V CB +22502 C CG . LYS P 17 ? 1.3650 1.0960 1.0270 -0.0031 -0.0741 -0.0575 17 LYS V CG +22503 C CD . LYS P 17 ? 1.7649 1.4873 1.4158 -0.0011 -0.0723 -0.0590 17 LYS V CD +22504 C CE . LYS P 17 ? 1.7658 1.4840 1.4131 -0.0023 -0.0764 -0.0624 17 LYS V CE +22505 N NZ . LYS P 17 ? 1.1712 0.8937 0.8281 -0.0055 -0.0782 -0.0632 17 LYS V NZ +22506 N N . THR P 18 ? 0.9867 0.7372 0.6757 -0.0079 -0.0754 -0.0537 18 THR V N +22507 C CA . THR P 18 ? 0.9982 0.7532 0.6970 -0.0101 -0.0734 -0.0527 18 THR V CA +22508 C C . THR P 18 ? 1.1234 0.8739 0.8208 -0.0108 -0.0719 -0.0544 18 THR V C +22509 O O . THR P 18 ? 1.1355 0.8800 0.8255 -0.0104 -0.0737 -0.0568 18 THR V O +22510 C CB . THR P 18 ? 1.0484 0.8102 0.7561 -0.0127 -0.0773 -0.0530 18 THR V CB +22511 O OG1 . THR P 18 ? 1.0857 0.8453 0.7921 -0.0144 -0.0814 -0.0560 18 THR V OG1 +22512 C CG2 . THR P 18 ? 1.0407 0.8064 0.7487 -0.0117 -0.0797 -0.0519 18 THR V CG2 +22513 N N . ILE P 19 ? 0.9711 0.7242 0.6755 -0.0119 -0.0688 -0.0532 19 ILE V N +22514 C CA . ILE P 19 ? 0.8902 0.6398 0.5950 -0.0130 -0.0675 -0.0545 19 ILE V CA +22515 C C . ILE P 19 ? 1.0150 0.7705 0.7306 -0.0157 -0.0677 -0.0537 19 ILE V C +22516 O O . ILE P 19 ? 0.9894 0.7508 0.7116 -0.0159 -0.0663 -0.0514 19 ILE V O +22517 C CB . ILE P 19 ? 1.0233 0.7687 0.7236 -0.0106 -0.0622 -0.0537 19 ILE V CB +22518 C CG1 . ILE P 19 ? 1.0137 0.7544 0.7127 -0.0112 -0.0613 -0.0555 19 ILE V CG1 +22519 C CG2 . ILE P 19 ? 1.0654 0.8161 0.7723 -0.0101 -0.0581 -0.0507 19 ILE V CG2 +22520 C CD1 . ILE P 19 ? 1.1298 0.8654 0.8228 -0.0086 -0.0567 -0.0553 19 ILE V CD1 +22521 N N . THR P 20 ? 0.9882 0.7418 0.7054 -0.0178 -0.0694 -0.0556 20 THR V N +22522 C CA . THR P 20 ? 0.9098 0.6681 0.6365 -0.0206 -0.0697 -0.0551 20 THR V CA +22523 C C . THR P 20 ? 1.1081 0.8636 0.8360 -0.0204 -0.0658 -0.0547 20 THR V C +22524 O O . THR P 20 ? 1.0528 0.8020 0.7754 -0.0202 -0.0657 -0.0567 20 THR V O +22525 C CB . THR P 20 ? 0.9564 0.7150 0.6849 -0.0234 -0.0746 -0.0575 20 THR V CB +22526 O OG1 . THR P 20 ? 0.9971 0.7592 0.7256 -0.0235 -0.0783 -0.0577 20 THR V OG1 +22527 C CG2 . THR P 20 ? 0.9344 0.6973 0.6725 -0.0264 -0.0745 -0.0569 20 THR V CG2 +22528 N N . LEU P 21 ? 1.0410 0.8011 0.7757 -0.0204 -0.0627 -0.0523 21 LEU V N +22529 C CA . LEU P 21 ? 0.9056 0.6637 0.6419 -0.0199 -0.0590 -0.0517 21 LEU V CA +22530 C C . LEU P 21 ? 1.0889 0.8473 0.8304 -0.0229 -0.0605 -0.0526 21 LEU V C +22531 O O . LEU P 21 ? 0.9419 0.7041 0.6883 -0.0254 -0.0638 -0.0530 21 LEU V O +22532 C CB . LEU P 21 ? 0.9637 0.7268 0.7051 -0.0187 -0.0552 -0.0488 21 LEU V CB +22533 C CG . LEU P 21 ? 1.1430 0.9069 0.8803 -0.0163 -0.0539 -0.0475 21 LEU V CG +22534 C CD1 . LEU P 21 ? 1.0955 0.8662 0.8397 -0.0163 -0.0519 -0.0448 21 LEU V CD1 +22535 C CD2 . LEU P 21 ? 1.1474 0.9056 0.8772 -0.0136 -0.0505 -0.0480 21 LEU V CD2 +22536 N N . THR P 22 ? 0.9164 0.6703 0.6566 -0.0224 -0.0582 -0.0531 22 THR V N +22537 C CA . THR P 22 ? 1.0273 0.7814 0.7729 -0.0250 -0.0588 -0.0535 22 THR V CA +22538 C C . THR P 22 ? 1.1262 0.8862 0.8800 -0.0252 -0.0561 -0.0508 22 THR V C +22539 O O . THR P 22 ? 0.9324 0.6949 0.6870 -0.0230 -0.0531 -0.0489 22 THR V O +22540 C CB . THR P 22 ? 1.0338 0.7803 0.7743 -0.0245 -0.0576 -0.0552 22 THR V CB +22541 O OG1 . THR P 22 ? 1.0998 0.8448 0.8383 -0.0214 -0.0532 -0.0540 22 THR V OG1 +22542 C CG2 . THR P 22 ? 1.0729 0.8133 0.8050 -0.0243 -0.0603 -0.0580 22 THR V CG2 +22543 N N . GLU P 23 ? 0.9278 0.6898 0.6878 -0.0280 -0.0573 -0.0507 23 GLU V N +22544 C CA . GLU P 23 ? 1.0674 0.8340 0.8348 -0.0283 -0.0548 -0.0484 23 GLU V CA +22545 C C . GLU P 23 ? 1.1098 0.8733 0.8751 -0.0256 -0.0506 -0.0476 23 GLU V C +22546 O O . GLU P 23 ? 0.9872 0.7548 0.7565 -0.0243 -0.0479 -0.0453 23 GLU V O +22547 C CB . GLU P 23 ? 0.9398 0.7073 0.7126 -0.0317 -0.0566 -0.0488 23 GLU V CB +22548 C CG . GLU P 23 ? 1.3748 1.1474 1.1556 -0.0325 -0.0546 -0.0464 23 GLU V CG +22549 C CD . GLU P 23 ? 1.3287 1.1039 1.1154 -0.0362 -0.0571 -0.0467 23 GLU V CD +22550 O OE1 . GLU P 23 ? 1.5094 1.2848 1.2953 -0.0382 -0.0605 -0.0484 23 GLU V OE1 +22551 O OE2 . GLU P 23 ? 1.5401 1.3172 1.3321 -0.0372 -0.0555 -0.0453 23 GLU V OE2 +22552 N N . LYS P 24 ? 0.9848 0.7411 0.7437 -0.0246 -0.0502 -0.0494 24 LYS V N +22553 C CA . LYS P 24 ? 1.1196 0.8727 0.8763 -0.0219 -0.0463 -0.0489 24 LYS V CA +22554 C C . LYS P 24 ? 1.1425 0.8975 0.8968 -0.0189 -0.0437 -0.0477 24 LYS V C +22555 O O . LYS P 24 ? 1.0062 0.7632 0.7631 -0.0171 -0.0402 -0.0461 24 LYS V O +22556 C CB . LYS P 24 ? 1.0192 0.7639 0.7691 -0.0215 -0.0467 -0.0514 24 LYS V CB +22557 C CG . LYS P 24 ? 1.2675 1.0082 1.0146 -0.0185 -0.0428 -0.0512 24 LYS V CG +22558 C CD . LYS P 24 ? 1.7655 1.5027 1.5048 -0.0155 -0.0413 -0.0522 24 LYS V CD +22559 C CE . LYS P 24 ? 1.9005 1.6319 1.6354 -0.0128 -0.0382 -0.0530 24 LYS V CE +22560 N NZ . LYS P 24 ? 1.6585 1.3854 1.3849 -0.0102 -0.0372 -0.0544 24 LYS V NZ +22561 N N . GLN P 25 ? 0.9428 0.6971 0.6922 -0.0184 -0.0453 -0.0486 25 GLN V N +22562 C CA . GLN P 25 ? 1.1018 0.8578 0.8487 -0.0158 -0.0428 -0.0474 25 GLN V CA +22563 C C . GLN P 25 ? 0.9459 0.7095 0.7001 -0.0161 -0.0417 -0.0447 25 GLN V C +22564 O O . GLN P 25 ? 0.9585 0.7242 0.7140 -0.0141 -0.0381 -0.0431 25 GLN V O +22565 C CB . GLN P 25 ? 0.9648 0.7182 0.7048 -0.0154 -0.0451 -0.0487 25 GLN V CB +22566 C CG . GLN P 25 ? 1.1419 0.8876 0.8729 -0.0138 -0.0449 -0.0510 25 GLN V CG +22567 C CD . GLN P 25 ? 1.1166 0.8602 0.8411 -0.0137 -0.0477 -0.0523 25 GLN V CD +22568 O OE1 . GLN P 25 ? 1.0577 0.8024 0.7834 -0.0159 -0.0518 -0.0533 25 GLN V OE1 +22569 N NE2 . GLN P 25 ? 0.9821 0.7230 0.7000 -0.0110 -0.0456 -0.0523 25 GLN V NE2 +22570 N N . TYR P 26 ? 0.8270 0.5951 0.5861 -0.0186 -0.0447 -0.0443 26 TYR V N +22571 C CA . TYR P 26 ? 0.8991 0.6744 0.6654 -0.0190 -0.0438 -0.0419 26 TYR V CA +22572 C C . TYR P 26 ? 0.9822 0.7594 0.7539 -0.0186 -0.0407 -0.0403 26 TYR V C +22573 O O . TYR P 26 ? 0.9537 0.7345 0.7278 -0.0171 -0.0379 -0.0385 26 TYR V O +22574 C CB . TYR P 26 ? 0.9670 0.7462 0.7379 -0.0219 -0.0476 -0.0419 26 TYR V CB +22575 C CG . TYR P 26 ? 1.0132 0.7996 0.7921 -0.0226 -0.0467 -0.0395 26 TYR V CG +22576 C CD1 . TYR P 26 ? 0.8261 0.6164 0.6055 -0.0213 -0.0459 -0.0379 26 TYR V CD1 +22577 C CD2 . TYR P 26 ? 0.9114 0.7003 0.6970 -0.0244 -0.0466 -0.0388 26 TYR V CD2 +22578 C CE1 . TYR P 26 ? 0.8485 0.6451 0.6349 -0.0219 -0.0450 -0.0358 26 TYR V CE1 +22579 C CE2 . TYR P 26 ? 0.8431 0.6384 0.6358 -0.0250 -0.0457 -0.0366 26 TYR V CE2 +22580 C CZ . TYR P 26 ? 0.9152 0.7144 0.7083 -0.0237 -0.0450 -0.0351 26 TYR V CZ +22581 O OH . TYR P 26 ? 0.8677 0.6730 0.6675 -0.0242 -0.0441 -0.0330 26 TYR V OH +22582 N N . LEU P 27 ? 0.9892 0.7641 0.7627 -0.0199 -0.0411 -0.0411 27 LEU V N +22583 C CA . LEU P 27 ? 0.9588 0.7353 0.7372 -0.0194 -0.0384 -0.0397 27 LEU V CA +22584 C C . LEU P 27 ? 0.9015 0.6756 0.6765 -0.0162 -0.0346 -0.0395 27 LEU V C +22585 O O . LEU P 27 ? 0.9085 0.6862 0.6879 -0.0151 -0.0319 -0.0378 27 LEU V O +22586 C CB . LEU P 27 ? 0.8833 0.6566 0.6631 -0.0213 -0.0397 -0.0407 27 LEU V CB +22587 C CG . LEU P 27 ? 0.9170 0.6934 0.7017 -0.0247 -0.0429 -0.0407 27 LEU V CG +22588 C CD1 . LEU P 27 ? 0.9484 0.7207 0.7337 -0.0264 -0.0437 -0.0417 27 LEU V CD1 +22589 C CD2 . LEU P 27 ? 0.9823 0.7661 0.7744 -0.0252 -0.0421 -0.0383 27 LEU V CD2 +22590 N N . GLU P 28 ? 0.8568 0.6250 0.6242 -0.0147 -0.0344 -0.0413 28 GLU V N +22591 C CA . GLU P 28 ? 0.8445 0.6106 0.6083 -0.0115 -0.0307 -0.0412 28 GLU V CA +22592 C C . GLU P 28 ? 0.9449 0.7157 0.7095 -0.0103 -0.0288 -0.0396 28 GLU V C +22593 O O . GLU P 28 ? 0.8991 0.6717 0.6653 -0.0083 -0.0252 -0.0385 28 GLU V O +22594 C CB . GLU P 28 ? 0.9001 0.6588 0.6551 -0.0103 -0.0311 -0.0437 28 GLU V CB +22595 C CG . GLU P 28 ? 1.1281 0.8813 0.8813 -0.0098 -0.0305 -0.0450 28 GLU V CG +22596 C CD . GLU P 28 ? 1.3487 1.1027 1.1036 -0.0071 -0.0263 -0.0441 28 GLU V CD +22597 O OE1 . GLU P 28 ? 1.4888 1.2406 1.2389 -0.0045 -0.0238 -0.0446 28 GLU V OE1 +22598 O OE2 . GLU P 28 ? 1.3249 1.0817 1.0860 -0.0076 -0.0256 -0.0428 28 GLU V OE2 +22599 N N . GLY P 29 ? 0.8511 0.6234 0.6143 -0.0113 -0.0310 -0.0395 29 GLY V N +22600 C CA . GLY P 29 ? 0.8728 0.6493 0.6367 -0.0103 -0.0294 -0.0379 29 GLY V CA +22601 C C . GLY P 29 ? 0.8123 0.5954 0.5846 -0.0108 -0.0278 -0.0356 29 GLY V C +22602 O O . GLY P 29 ? 0.8002 0.5858 0.5735 -0.0092 -0.0246 -0.0342 29 GLY V O +22603 N N . LYS P 30 ? 0.7561 0.5419 0.5342 -0.0129 -0.0298 -0.0351 30 LYS V N +22604 C CA . LYS P 30 ? 0.7994 0.5912 0.5854 -0.0135 -0.0285 -0.0330 30 LYS V CA +22605 C C . LYS P 30 ? 0.8561 0.6478 0.6438 -0.0116 -0.0249 -0.0325 30 LYS V C +22606 O O . LYS P 30 ? 0.9154 0.7112 0.7064 -0.0105 -0.0224 -0.0309 30 LYS V O +22607 C CB . LYS P 30 ? 0.8029 0.5967 0.5941 -0.0162 -0.0314 -0.0329 30 LYS V CB +22608 C CG . LYS P 30 ? 0.9038 0.7041 0.7031 -0.0170 -0.0305 -0.0307 30 LYS V CG +22609 C CD . LYS P 30 ? 0.8806 0.6833 0.6844 -0.0199 -0.0337 -0.0306 30 LYS V CD +22610 C CE . LYS P 30 ? 1.0217 0.8279 0.8324 -0.0206 -0.0327 -0.0291 30 LYS V CE +22611 N NZ . LYS P 30 ? 1.1185 0.9285 0.9342 -0.0233 -0.0352 -0.0285 30 LYS V NZ +22612 N N . ARG P 31 ? 0.8022 0.5890 0.5874 -0.0110 -0.0247 -0.0339 31 ARG V N +22613 C CA . ARG P 31 ? 0.9216 0.7080 0.7083 -0.0090 -0.0215 -0.0336 31 ARG V CA +22614 C C . ARG P 31 ? 0.8667 0.6531 0.6502 -0.0064 -0.0181 -0.0335 31 ARG V C +22615 O O . ARG P 31 ? 0.8112 0.6013 0.5986 -0.0050 -0.0153 -0.0323 31 ARG V O +22616 C CB . ARG P 31 ? 0.9920 0.7722 0.7755 -0.0087 -0.0222 -0.0354 31 ARG V CB +22617 C CG . ARG P 31 ? 1.0263 0.8053 0.8105 -0.0063 -0.0191 -0.0354 31 ARG V CG +22618 C CD . ARG P 31 ? 1.1358 0.9075 0.9155 -0.0058 -0.0197 -0.0374 31 ARG V CD +22619 N NE . ARG P 31 ? 1.0615 0.8276 0.8330 -0.0047 -0.0198 -0.0393 31 ARG V NE +22620 C CZ . ARG P 31 ? 1.2197 0.9841 0.9874 -0.0018 -0.0169 -0.0399 31 ARG V CZ +22621 N NH1 . ARG P 31 ? 1.1828 0.9508 0.9540 0.0002 -0.0136 -0.0387 31 ARG V NH1 +22622 N NH2 . ARG P 31 ? 1.0889 0.8479 0.8489 -0.0010 -0.0172 -0.0417 31 ARG V NH2 +22623 N N . LEU P 32 ? 0.8238 0.6064 0.6002 -0.0057 -0.0184 -0.0347 32 LEU V N +22624 C CA . LEU P 32 ? 0.8470 0.6293 0.6199 -0.0033 -0.0150 -0.0346 32 LEU V CA +22625 C C . LEU P 32 ? 0.9026 0.6907 0.6788 -0.0036 -0.0139 -0.0327 32 LEU V C +22626 O O . LEU P 32 ? 0.8203 0.6106 0.5974 -0.0019 -0.0104 -0.0319 32 LEU V O +22627 C CB . LEU P 32 ? 0.8132 0.5893 0.5771 -0.0025 -0.0157 -0.0365 32 LEU V CB +22628 C CG . LEU P 32 ? 0.9762 0.7458 0.7357 -0.0017 -0.0162 -0.0387 32 LEU V CG +22629 C CD1 . LEU P 32 ? 0.9650 0.7287 0.7156 -0.0013 -0.0176 -0.0405 32 LEU V CD1 +22630 C CD2 . LEU P 32 ? 0.9164 0.6854 0.6763 0.0010 -0.0123 -0.0388 32 LEU V CD2 +22631 N N . PHE P 33 ? 0.7106 0.5010 0.4884 -0.0056 -0.0167 -0.0320 33 PHE V N +22632 C CA . PHE P 33 ? 0.7051 0.5011 0.4867 -0.0060 -0.0158 -0.0300 33 PHE V CA +22633 C C . PHE P 33 ? 0.8577 0.6589 0.6470 -0.0059 -0.0137 -0.0284 33 PHE V C +22634 O O . PHE P 33 ? 0.7658 0.5703 0.5569 -0.0050 -0.0108 -0.0272 33 PHE V O +22635 C CB . PHE P 33 ? 0.8116 0.6092 0.5941 -0.0082 -0.0195 -0.0296 33 PHE V CB +22636 C CG . PHE P 33 ? 0.8807 0.6834 0.6664 -0.0086 -0.0189 -0.0277 33 PHE V CG +22637 C CD1 . PHE P 33 ? 0.8726 0.6742 0.6532 -0.0077 -0.0179 -0.0275 33 PHE V CD1 +22638 C CD2 . PHE P 33 ? 0.9057 0.7139 0.6991 -0.0098 -0.0191 -0.0261 33 PHE V CD2 +22639 C CE1 . PHE P 33 ? 0.9345 0.7403 0.7178 -0.0080 -0.0173 -0.0257 33 PHE V CE1 +22640 C CE2 . PHE P 33 ? 0.8844 0.6970 0.6805 -0.0102 -0.0185 -0.0244 33 PHE V CE2 +22641 C CZ . PHE P 33 ? 0.7696 0.5811 0.5608 -0.0093 -0.0176 -0.0241 33 PHE V CZ +22642 N N . GLN P 34 ? 0.7783 0.5803 0.5721 -0.0069 -0.0150 -0.0285 34 GLN V N +22643 C CA . GLN P 34 ? 0.8369 0.6433 0.6375 -0.0066 -0.0132 -0.0271 34 GLN V CA +22644 C C . GLN P 34 ? 0.9099 0.7156 0.7095 -0.0040 -0.0094 -0.0275 34 GLN V C +22645 O O . GLN P 34 ? 0.8395 0.6497 0.6434 -0.0032 -0.0069 -0.0262 34 GLN V O +22646 C CB . GLN P 34 ? 0.7655 0.5717 0.5700 -0.0079 -0.0152 -0.0272 34 GLN V CB +22647 C CG . GLN P 34 ? 0.9074 0.7156 0.7146 -0.0106 -0.0186 -0.0267 34 GLN V CG +22648 C CD . GLN P 34 ? 0.9272 0.7350 0.7381 -0.0119 -0.0202 -0.0267 34 GLN V CD +22649 O OE1 . GLN P 34 ? 1.1634 0.9690 0.9744 -0.0107 -0.0189 -0.0272 34 GLN V OE1 +22650 N NE2 . GLN P 34 ? 0.9141 0.7239 0.7279 -0.0143 -0.0230 -0.0263 34 GLN V NE2 +22651 N N . TYR P 35 ? 0.8437 0.6437 0.6376 -0.0026 -0.0090 -0.0293 35 TYR V N +22652 C CA . TYR P 35 ? 0.8932 0.6923 0.6860 0.0000 -0.0055 -0.0298 35 TYR V CA +22653 C C . TYR P 35 ? 0.8397 0.6413 0.6314 0.0010 -0.0024 -0.0291 35 TYR V C +22654 O O . TYR P 35 ? 0.7955 0.6009 0.5909 0.0023 0.0006 -0.0284 35 TYR V O +22655 C CB . TYR P 35 ? 0.8724 0.6645 0.6588 0.0012 -0.0059 -0.0319 35 TYR V CB +22656 C CG . TYR P 35 ? 0.8429 0.6328 0.6254 0.0040 -0.0023 -0.0329 35 TYR V CG +22657 C CD1 . TYR P 35 ? 0.8342 0.6255 0.6200 0.0060 0.0001 -0.0330 35 TYR V CD1 +22658 C CD2 . TYR P 35 ? 0.8374 0.6237 0.6128 0.0048 -0.0015 -0.0339 35 TYR V CD2 +22659 C CE1 . TYR P 35 ? 0.8734 0.6630 0.6560 0.0087 0.0035 -0.0340 35 TYR V CE1 +22660 C CE2 . TYR P 35 ? 0.9904 0.7747 0.7622 0.0074 0.0020 -0.0348 35 TYR V CE2 +22661 C CZ . TYR P 35 ? 0.8234 0.6095 0.5990 0.0093 0.0045 -0.0349 35 TYR V CZ +22662 O OH . TYR P 35 ? 0.9801 0.7646 0.7524 0.0119 0.0080 -0.0359 35 TYR V OH +22663 N N . ALA P 36 ? 0.7978 0.5973 0.5841 0.0005 -0.0032 -0.0293 36 ALA V N +22664 C CA . ALA P 36 ? 0.8342 0.6341 0.6174 0.0018 -0.0001 -0.0291 36 ALA V CA +22665 C C . ALA P 36 ? 0.8560 0.6600 0.6411 0.0004 -0.0001 -0.0274 36 ALA V C +22666 O O . ALA P 36 ? 0.8133 0.6182 0.5967 0.0013 0.0029 -0.0269 36 ALA V O +22667 C CB . ALA P 36 ? 0.8445 0.6377 0.6185 0.0028 -0.0001 -0.0309 36 ALA V CB +22668 N N . CYS P 37 ? 0.7372 0.5435 0.5256 -0.0017 -0.0033 -0.0265 37 CYS V N +22669 C CA . CYS P 37 ? 0.7894 0.5980 0.5777 -0.0028 -0.0038 -0.0251 37 CYS V CA +22670 C C . CYS P 37 ? 0.7781 0.5927 0.5742 -0.0044 -0.0049 -0.0234 37 CYS V C +22671 O O . CYS P 37 ? 0.7756 0.5933 0.5733 -0.0050 -0.0041 -0.0219 37 CYS V O +22672 C CB . CYS P 37 ? 0.7370 0.5414 0.5191 -0.0036 -0.0071 -0.0259 37 CYS V CB +22673 S SG . CYS P 37 ? 0.7827 0.5793 0.5551 -0.0019 -0.0069 -0.0283 37 CYS V SG +22674 N N . ALA P 38 ? 0.8130 0.6287 0.6138 -0.0053 -0.0068 -0.0234 38 ALA V N +22675 C CA . ALA P 38 ? 0.7699 0.5906 0.5773 -0.0070 -0.0085 -0.0219 38 ALA V CA +22676 C C . ALA P 38 ? 0.8108 0.6370 0.6241 -0.0067 -0.0057 -0.0204 38 ALA V C +22677 O O . ALA P 38 ? 0.7116 0.5419 0.5294 -0.0080 -0.0066 -0.0190 38 ALA V O +22678 C CB . ALA P 38 ? 0.7158 0.5359 0.5262 -0.0081 -0.0111 -0.0225 38 ALA V CB +22679 N N . SER P 39 ? 0.6895 0.5157 0.5027 -0.0049 -0.0024 -0.0208 39 SER V N +22680 C CA . SER P 39 ? 0.7303 0.5618 0.5490 -0.0046 0.0003 -0.0194 39 SER V CA +22681 C C . SER P 39 ? 0.7684 0.6021 0.5867 -0.0055 0.0010 -0.0182 39 SER V C +22682 O O . SER P 39 ? 0.7844 0.6230 0.6082 -0.0062 0.0018 -0.0168 39 SER V O +22683 C CB . SER P 39 ? 0.6513 0.4824 0.4695 -0.0025 0.0039 -0.0203 39 SER V CB +22684 O OG . SER P 39 ? 0.7602 0.5876 0.5716 -0.0015 0.0056 -0.0211 39 SER V OG +22685 N N . CYS P 40 ? 0.7146 0.5447 0.5263 -0.0054 0.0007 -0.0186 40 CYS V N +22686 C CA . CYS P 40 ? 0.7129 0.5443 0.5236 -0.0063 0.0008 -0.0173 40 CYS V CA +22687 C C . CYS P 40 ? 0.7863 0.6164 0.5951 -0.0076 -0.0031 -0.0172 40 CYS V C +22688 O O . CYS P 40 ? 0.7513 0.5835 0.5611 -0.0085 -0.0037 -0.0159 40 CYS V O +22689 C CB . CYS P 40 ? 0.7086 0.5372 0.5131 -0.0052 0.0038 -0.0176 40 CYS V CB +22690 S SG . CYS P 40 ? 0.7922 0.6225 0.5985 -0.0035 0.0088 -0.0180 40 CYS V SG +22691 N N . HIS P 41 ? 0.7249 0.5515 0.5310 -0.0078 -0.0059 -0.0185 41 HIS V N +22692 C CA . HIS P 41 ? 0.7348 0.5597 0.5379 -0.0088 -0.0095 -0.0187 41 HIS V CA +22693 C C . HIS P 41 ? 0.7809 0.6076 0.5886 -0.0104 -0.0129 -0.0188 41 HIS V C +22694 O O . HIS P 41 ? 0.7473 0.5721 0.5525 -0.0112 -0.0161 -0.0194 41 HIS V O +22695 C CB . HIS P 41 ? 0.7806 0.5994 0.5753 -0.0079 -0.0102 -0.0203 41 HIS V CB +22696 C CG . HIS P 41 ? 0.7476 0.5642 0.5365 -0.0067 -0.0077 -0.0201 41 HIS V CG +22697 N ND1 . HIS P 41 ? 0.7726 0.5906 0.5607 -0.0072 -0.0077 -0.0187 41 HIS V ND1 +22698 C CD2 . HIS P 41 ? 0.7931 0.6059 0.5765 -0.0051 -0.0049 -0.0210 41 HIS V CD2 +22699 C CE1 . HIS P 41 ? 0.7990 0.6140 0.5812 -0.0060 -0.0050 -0.0188 41 HIS V CE1 +22700 N NE2 . HIS P 41 ? 0.7770 0.5890 0.5563 -0.0048 -0.0033 -0.0202 41 HIS V NE2 +22701 N N . VAL P 42 ? 0.7124 0.5424 0.5266 -0.0108 -0.0123 -0.0182 42 VAL V N +22702 C CA . VAL P 42 ? 0.6956 0.5272 0.5142 -0.0123 -0.0152 -0.0182 42 VAL V CA +22703 C C . VAL P 42 ? 0.7283 0.5617 0.5476 -0.0137 -0.0180 -0.0175 42 VAL V C +22704 O O . VAL P 42 ? 0.7226 0.5589 0.5432 -0.0138 -0.0172 -0.0162 42 VAL V O +22705 C CB . VAL P 42 ? 0.7716 0.6073 0.5973 -0.0124 -0.0138 -0.0172 42 VAL V CB +22706 C CG1 . VAL P 42 ? 0.7000 0.5401 0.5290 -0.0122 -0.0114 -0.0156 42 VAL V CG1 +22707 C CG2 . VAL P 42 ? 0.7645 0.6021 0.5947 -0.0141 -0.0166 -0.0169 42 VAL V CG2 +22708 N N . GLY P 43 ? 0.7601 0.5919 0.5786 -0.0148 -0.0214 -0.0185 43 GLY V N +22709 C CA . GLY P 43 ? 0.6990 0.5329 0.5185 -0.0162 -0.0243 -0.0180 43 GLY V CA +22710 C C . GLY P 43 ? 0.7730 0.6049 0.5867 -0.0155 -0.0250 -0.0182 43 GLY V C +22711 O O . GLY P 43 ? 0.7739 0.6077 0.5884 -0.0163 -0.0274 -0.0178 43 GLY V O +22712 N N . GLY P 44 ? 0.6951 0.5230 0.5026 -0.0139 -0.0230 -0.0189 44 GLY V N +22713 C CA . GLY P 44 ? 0.7276 0.5529 0.5286 -0.0131 -0.0235 -0.0190 44 GLY V CA +22714 C C . GLY P 44 ? 0.9090 0.7363 0.7100 -0.0124 -0.0211 -0.0173 44 GLY V C +22715 O O . GLY P 44 ? 0.8089 0.6340 0.6046 -0.0118 -0.0217 -0.0172 44 GLY V O +22716 N N . ILE P 45 ? 0.7115 0.5426 0.5181 -0.0126 -0.0186 -0.0160 45 ILE V N +22717 C CA . ILE P 45 ? 0.7285 0.5612 0.5349 -0.0121 -0.0159 -0.0145 45 ILE V CA +22718 C C . ILE P 45 ? 0.7511 0.5814 0.5543 -0.0108 -0.0120 -0.0148 45 ILE V C +22719 O O . ILE P 45 ? 0.7282 0.5554 0.5287 -0.0101 -0.0117 -0.0163 45 ILE V O +22720 C CB . ILE P 45 ? 0.7109 0.5493 0.5251 -0.0132 -0.0154 -0.0128 45 ILE V CB +22721 C CG1 . ILE P 45 ? 0.7809 0.6217 0.6010 -0.0135 -0.0144 -0.0130 45 ILE V CG1 +22722 C CG2 . ILE P 45 ? 0.7144 0.5550 0.5311 -0.0143 -0.0190 -0.0124 45 ILE V CG2 +22723 C CD1 . ILE P 45 ? 0.8388 0.6805 0.6601 -0.0126 -0.0104 -0.0127 45 ILE V CD1 +22724 N N . THR P 46 ? 0.7396 0.5716 0.5435 -0.0105 -0.0089 -0.0136 46 THR V N +22725 C CA . THR P 46 ? 0.8307 0.6613 0.6325 -0.0093 -0.0048 -0.0138 46 THR V CA +22726 C C . THR P 46 ? 0.7715 0.6071 0.5796 -0.0098 -0.0021 -0.0124 46 THR V C +22727 O O . THR P 46 ? 0.7941 0.6310 0.6023 -0.0103 -0.0013 -0.0111 46 THR V O +22728 C CB . THR P 46 ? 0.7756 0.6017 0.5691 -0.0084 -0.0034 -0.0139 46 THR V CB +22729 O OG1 . THR P 46 ? 0.7711 0.5927 0.5587 -0.0080 -0.0064 -0.0152 46 THR V OG1 +22730 C CG2 . THR P 46 ? 0.6664 0.4912 0.4580 -0.0072 0.0010 -0.0144 46 THR V CG2 +22731 N N A LYS P 47 ? 0.7703 0.6085 0.5836 -0.0097 -0.0008 -0.0127 47 LYS V N +22732 N N B LYS P 47 ? 0.7705 0.6086 0.5837 -0.0097 -0.0008 -0.0127 47 LYS V N +22733 C CA A LYS P 47 ? 0.8752 0.7186 0.6954 -0.0102 0.0010 -0.0115 47 LYS V CA +22734 C CA B LYS P 47 ? 0.8769 0.7203 0.6971 -0.0102 0.0011 -0.0115 47 LYS V CA +22735 C C A LYS P 47 ? 0.7785 0.6224 0.5973 -0.0099 0.0050 -0.0108 47 LYS V C +22736 C C B LYS P 47 ? 0.7785 0.6224 0.5973 -0.0099 0.0050 -0.0108 47 LYS V C +22737 O O A LYS P 47 ? 0.8029 0.6504 0.6256 -0.0108 0.0059 -0.0095 47 LYS V O +22738 O O B LYS P 47 ? 0.8044 0.6519 0.6271 -0.0107 0.0060 -0.0095 47 LYS V O +22739 C CB A LYS P 47 ? 0.8426 0.6881 0.6679 -0.0098 0.0015 -0.0121 47 LYS V CB +22740 C CB B LYS P 47 ? 0.8430 0.6886 0.6684 -0.0099 0.0015 -0.0121 47 LYS V CB +22741 C CG A LYS P 47 ? 0.8482 0.6952 0.6775 -0.0108 -0.0020 -0.0121 47 LYS V CG +22742 C CG B LYS P 47 ? 0.8492 0.6958 0.6781 -0.0107 -0.0020 -0.0122 47 LYS V CG +22743 C CD A LYS P 47 ? 0.8211 0.6697 0.6551 -0.0103 -0.0015 -0.0126 47 LYS V CD +22744 C CD B LYS P 47 ? 0.8203 0.6690 0.6543 -0.0103 -0.0014 -0.0126 47 LYS V CD +22745 C CE A LYS P 47 ? 0.8454 0.6959 0.6838 -0.0116 -0.0046 -0.0122 47 LYS V CE +22746 C CE B LYS P 47 ? 0.8448 0.6954 0.6833 -0.0115 -0.0045 -0.0122 47 LYS V CE +22747 N NZ A LYS P 47 ? 0.9138 0.7657 0.7566 -0.0110 -0.0042 -0.0126 47 LYS V NZ +22748 N NZ B LYS P 47 ? 0.9150 0.7669 0.7578 -0.0110 -0.0042 -0.0126 47 LYS V NZ +22749 N N . THR P 48 ? 0.7816 0.6218 0.5948 -0.0087 0.0072 -0.0117 48 THR V N +22750 C CA . THR P 48 ? 0.7068 0.5473 0.5184 -0.0085 0.0113 -0.0112 48 THR V CA +22751 C C . THR P 48 ? 0.7516 0.5890 0.5572 -0.0088 0.0113 -0.0104 48 THR V C +22752 O O . THR P 48 ? 0.7780 0.6152 0.5818 -0.0089 0.0146 -0.0098 48 THR V O +22753 C CB . THR P 48 ? 0.8481 0.6863 0.6566 -0.0070 0.0143 -0.0126 48 THR V CB +22754 O OG1 . THR P 48 ? 0.7989 0.6314 0.6003 -0.0061 0.0125 -0.0138 48 THR V OG1 +22755 C CG2 . THR P 48 ? 0.7460 0.5876 0.5609 -0.0064 0.0149 -0.0132 48 THR V CG2 +22756 N N . ASN P 49 ? 0.6810 0.5160 0.4835 -0.0091 0.0076 -0.0103 49 ASN V N +22757 C CA . ASN P 49 ? 0.6974 0.5297 0.4945 -0.0093 0.0071 -0.0094 49 ASN V CA +22758 C C . ASN P 49 ? 0.8388 0.6708 0.6358 -0.0098 0.0024 -0.0093 49 ASN V C +22759 O O . ASN P 49 ? 0.8196 0.6476 0.6111 -0.0091 0.0000 -0.0103 49 ASN V O +22760 C CB . ASN P 49 ? 0.6788 0.5053 0.4668 -0.0081 0.0088 -0.0102 49 ASN V CB +22761 C CG . ASN P 49 ? 0.8524 0.6759 0.6347 -0.0083 0.0088 -0.0090 49 ASN V CG +22762 O OD1 . ASN P 49 ? 0.7597 0.5852 0.5444 -0.0091 0.0067 -0.0079 49 ASN V OD1 +22763 N ND2 . ASN P 49 ? 0.7513 0.5701 0.5260 -0.0074 0.0112 -0.0093 49 ASN V ND2 +22764 N N A PRO P 50 ? 0.7819 0.6183 0.5851 -0.0109 0.0009 -0.0082 50 PRO V N +22765 N N B PRO P 50 ? 0.7837 0.6200 0.5869 -0.0109 0.0009 -0.0082 50 PRO V N +22766 C CA A PRO P 50 ? 0.7326 0.5695 0.5369 -0.0114 -0.0036 -0.0083 50 PRO V CA +22767 C CA B PRO P 50 ? 0.7329 0.5699 0.5373 -0.0114 -0.0035 -0.0083 50 PRO V CA +22768 C C A PRO P 50 ? 0.7258 0.5592 0.5238 -0.0110 -0.0056 -0.0080 50 PRO V C +22769 C C B PRO P 50 ? 0.7248 0.5583 0.5229 -0.0110 -0.0056 -0.0080 50 PRO V C +22770 O O A PRO P 50 ? 0.7711 0.6046 0.5693 -0.0113 -0.0095 -0.0084 50 PRO V O +22771 O O B PRO P 50 ? 0.7706 0.6043 0.5691 -0.0113 -0.0095 -0.0084 50 PRO V O +22772 C CB A PRO P 50 ? 0.6813 0.5239 0.4937 -0.0126 -0.0038 -0.0070 50 PRO V CB +22773 C CB B PRO P 50 ? 0.6802 0.5228 0.4927 -0.0126 -0.0037 -0.0070 50 PRO V CB +22774 C CG A PRO P 50 ? 0.7036 0.5486 0.5200 -0.0126 -0.0002 -0.0070 50 PRO V CG +22775 C CG B PRO P 50 ? 0.7028 0.5479 0.5193 -0.0126 -0.0002 -0.0070 50 PRO V CG +22776 C CD A PRO P 50 ? 0.7216 0.5631 0.5320 -0.0118 0.0031 -0.0072 50 PRO V CD +22777 C CD B PRO P 50 ? 0.7213 0.5628 0.5318 -0.0118 0.0031 -0.0072 50 PRO V CD +22778 N N . SER P 51 ? 0.7820 0.6123 0.5743 -0.0105 -0.0033 -0.0074 51 SER V N +22779 C CA . SER P 51 ? 0.7560 0.5825 0.5415 -0.0098 -0.0054 -0.0072 51 SER V CA +22780 C C . SER P 51 ? 0.8016 0.6238 0.5813 -0.0089 -0.0080 -0.0088 51 SER V C +22781 O O . SER P 51 ? 0.8436 0.6639 0.6196 -0.0085 -0.0112 -0.0090 51 SER V O +22782 C CB . SER P 51 ? 0.7886 0.6119 0.5685 -0.0094 -0.0019 -0.0062 51 SER V CB +22783 O OG . SER P 51 ? 0.8062 0.6331 0.5911 -0.0104 0.0004 -0.0047 51 SER V OG +22784 N N . LEU P 52 ? 0.7924 0.6133 0.5715 -0.0085 -0.0068 -0.0102 52 LEU V N +22785 C CA . LEU P 52 ? 0.8211 0.6377 0.5945 -0.0076 -0.0090 -0.0119 52 LEU V CA +22786 C C . LEU P 52 ? 0.8700 0.6891 0.6489 -0.0083 -0.0113 -0.0131 52 LEU V C +22787 O O . LEU P 52 ? 0.9041 0.7255 0.6878 -0.0086 -0.0092 -0.0133 52 LEU V O +22788 C CB . LEU P 52 ? 0.8860 0.6980 0.6527 -0.0064 -0.0057 -0.0127 52 LEU V CB +22789 C CG . LEU P 52 ? 0.9160 0.7243 0.6756 -0.0057 -0.0034 -0.0117 52 LEU V CG +22790 C CD1 . LEU P 52 ? 1.0205 0.8251 0.7750 -0.0047 0.0005 -0.0124 52 LEU V CD1 +22791 C CD2 . LEU P 52 ? 0.9090 0.7134 0.6620 -0.0050 -0.0071 -0.0119 52 LEU V CD2 +22792 N N . ASP P 53 ? 0.7749 0.5933 0.5528 -0.0085 -0.0155 -0.0140 53 ASP V N +22793 C CA . ASP P 53 ? 0.8638 0.6840 0.6465 -0.0094 -0.0179 -0.0151 53 ASP V CA +22794 C C . ASP P 53 ? 0.8310 0.6462 0.6073 -0.0087 -0.0199 -0.0171 53 ASP V C +22795 O O . ASP P 53 ? 0.8515 0.6620 0.6199 -0.0074 -0.0193 -0.0176 53 ASP V O +22796 C CB . ASP P 53 ? 0.7301 0.5548 0.5187 -0.0106 -0.0211 -0.0144 53 ASP V CB +22797 C CG . ASP P 53 ? 0.7461 0.5692 0.5303 -0.0103 -0.0244 -0.0144 53 ASP V CG +22798 O OD1 . ASP P 53 ? 0.8097 0.6281 0.5866 -0.0093 -0.0254 -0.0156 53 ASP V OD1 +22799 O OD2 . ASP P 53 ? 0.7715 0.5981 0.5596 -0.0109 -0.0260 -0.0134 53 ASP V OD2 +22800 N N . LEU P 54 ? 0.8171 0.6331 0.5966 -0.0095 -0.0224 -0.0183 54 LEU V N +22801 C CA . LEU P 54 ? 0.8202 0.6317 0.5943 -0.0091 -0.0246 -0.0204 54 LEU V CA +22802 C C . LEU P 54 ? 0.7715 0.5835 0.5457 -0.0100 -0.0294 -0.0211 54 LEU V C +22803 O O . LEU P 54 ? 0.8523 0.6621 0.6249 -0.0104 -0.0318 -0.0229 54 LEU V O +22804 C CB . LEU P 54 ? 0.7759 0.5868 0.5526 -0.0094 -0.0236 -0.0215 54 LEU V CB +22805 C CG . LEU P 54 ? 0.8616 0.6722 0.6387 -0.0084 -0.0189 -0.0212 54 LEU V CG +22806 C CD1 . LEU P 54 ? 0.8371 0.6467 0.6160 -0.0085 -0.0187 -0.0225 54 LEU V CD1 +22807 C CD2 . LEU P 54 ? 0.8299 0.6361 0.5989 -0.0068 -0.0166 -0.0214 54 LEU V CD2 +22808 N N . ARG P 55 ? 0.7511 0.5663 0.5276 -0.0104 -0.0309 -0.0199 55 ARG V N +22809 C CA . ARG P 55 ? 0.7689 0.5847 0.5451 -0.0109 -0.0355 -0.0206 55 ARG V CA +22810 C C . ARG P 55 ? 0.8324 0.6425 0.5992 -0.0096 -0.0372 -0.0220 55 ARG V C +22811 O O . ARG P 55 ? 0.8023 0.6088 0.5627 -0.0081 -0.0348 -0.0215 55 ARG V O +22812 C CB . ARG P 55 ? 0.7651 0.5852 0.5451 -0.0112 -0.0364 -0.0189 55 ARG V CB +22813 C CG . ARG P 55 ? 0.8704 0.6963 0.6597 -0.0127 -0.0358 -0.0178 55 ARG V CG +22814 C CD . ARG P 55 ? 0.8848 0.7146 0.6774 -0.0129 -0.0367 -0.0162 55 ARG V CD +22815 N NE . ARG P 55 ? 1.3194 1.1546 1.1206 -0.0145 -0.0377 -0.0158 55 ARG V NE +22816 C CZ . ARG P 55 ? 1.2982 1.1378 1.1044 -0.0150 -0.0379 -0.0143 55 ARG V CZ +22817 N NH1 . ARG P 55 ? 1.1974 1.0367 1.0010 -0.0139 -0.0372 -0.0130 55 ARG V NH1 +22818 N NH2 . ARG P 55 ? 0.9354 0.7795 0.7490 -0.0165 -0.0388 -0.0141 55 ARG V NH2 +22819 N N . THR P 56 ? 0.7645 0.5740 0.5305 -0.0102 -0.0413 -0.0236 56 THR V N +22820 C CA . THR P 56 ? 0.9271 0.7313 0.6843 -0.0090 -0.0434 -0.0252 56 THR V CA +22821 C C . THR P 56 ? 0.9803 0.7834 0.7326 -0.0075 -0.0438 -0.0240 56 THR V C +22822 O O . THR P 56 ? 0.8772 0.6749 0.6209 -0.0058 -0.0429 -0.0244 56 THR V O +22823 C CB . THR P 56 ? 0.8915 0.6962 0.6500 -0.0102 -0.0481 -0.0271 56 THR V CB +22824 O OG1 . THR P 56 ? 0.9240 0.7294 0.6871 -0.0116 -0.0473 -0.0280 56 THR V OG1 +22825 C CG2 . THR P 56 ? 0.8342 0.6331 0.5834 -0.0090 -0.0503 -0.0290 56 THR V CG2 +22826 N N . GLU P 57 ? 0.8832 0.6910 0.6405 -0.0079 -0.0449 -0.0226 57 GLU V N +22827 C CA . GLU P 57 ? 0.8439 0.6505 0.5965 -0.0064 -0.0451 -0.0213 57 GLU V CA +22828 C C . GLU P 57 ? 0.9117 0.7153 0.6601 -0.0053 -0.0402 -0.0199 57 GLU V C +22829 O O . GLU P 57 ? 0.8882 0.6872 0.6285 -0.0036 -0.0398 -0.0197 57 GLU V O +22830 C CB . GLU P 57 ? 0.8651 0.6776 0.6246 -0.0071 -0.0467 -0.0200 57 GLU V CB +22831 C CG . GLU P 57 ? 1.2412 1.0577 1.0062 -0.0085 -0.0513 -0.0213 57 GLU V CG +22832 C CD . GLU P 57 ? 1.1885 1.0083 0.9612 -0.0106 -0.0507 -0.0219 57 GLU V CD +22833 O OE1 . GLU P 57 ? 0.9761 0.7953 0.7502 -0.0109 -0.0469 -0.0213 57 GLU V OE1 +22834 O OE2 . GLU P 57 ? 1.2355 1.0586 1.0129 -0.0120 -0.0541 -0.0229 57 GLU V OE2 +22835 N N . THR P 58 ? 0.8344 0.6402 0.5879 -0.0061 -0.0365 -0.0190 58 THR V N +22836 C CA . THR P 58 ? 0.8574 0.6607 0.6074 -0.0052 -0.0317 -0.0179 58 THR V CA +22837 C C . THR P 58 ? 0.9113 0.7083 0.6531 -0.0041 -0.0304 -0.0193 58 THR V C +22838 O O . THR P 58 ? 0.8978 0.6909 0.6329 -0.0028 -0.0276 -0.0187 58 THR V O +22839 C CB . THR P 58 ? 0.8659 0.6734 0.6237 -0.0064 -0.0282 -0.0169 58 THR V CB +22840 O OG1 . THR P 58 ? 0.8128 0.6260 0.5784 -0.0076 -0.0297 -0.0157 58 THR V OG1 +22841 C CG2 . THR P 58 ? 0.7571 0.5628 0.5121 -0.0056 -0.0233 -0.0156 58 THR V CG2 +22842 N N . LEU P 59 ? 0.7836 0.5797 0.5257 -0.0045 -0.0321 -0.0212 59 LEU V N +22843 C CA . LEU P 59 ? 0.8536 0.6438 0.5882 -0.0034 -0.0307 -0.0227 59 LEU V CA +22844 C C . LEU P 59 ? 0.9187 0.7036 0.6437 -0.0019 -0.0332 -0.0235 59 LEU V C +22845 O O . LEU P 59 ? 0.8662 0.6458 0.5831 -0.0005 -0.0309 -0.0238 59 LEU V O +22846 C CB . LEU P 59 ? 0.9016 0.6919 0.6391 -0.0043 -0.0319 -0.0246 59 LEU V CB +22847 C CG . LEU P 59 ? 0.8433 0.6375 0.5889 -0.0054 -0.0291 -0.0240 59 LEU V CG +22848 C CD1 . LEU P 59 ? 0.8173 0.6115 0.5657 -0.0064 -0.0312 -0.0259 59 LEU V CD1 +22849 C CD2 . LEU P 59 ? 0.8403 0.6323 0.5833 -0.0043 -0.0239 -0.0235 59 LEU V CD2 +22850 N N . ALA P 60 ? 0.7660 0.5526 0.4918 -0.0022 -0.0379 -0.0239 60 ALA V N +22851 C CA . ALA P 60 ? 0.8742 0.6564 0.5913 -0.0007 -0.0408 -0.0245 60 ALA V CA +22852 C C . ALA P 60 ? 0.8594 0.6383 0.5701 0.0009 -0.0379 -0.0228 60 ALA V C +22853 O O . ALA P 60 ? 0.9666 0.7396 0.6676 0.0026 -0.0383 -0.0234 60 ALA V O +22854 C CB . ALA P 60 ? 0.8329 0.6188 0.5538 -0.0013 -0.0460 -0.0249 60 ALA V CB +22855 N N . LEU P 61 ? 0.8956 0.6780 0.6110 0.0004 -0.0352 -0.0207 61 LEU V N +22856 C CA . LEU P 61 ? 0.8837 0.6631 0.5934 0.0017 -0.0326 -0.0189 61 LEU V CA +22857 C C . LEU P 61 ? 0.9384 0.7153 0.6457 0.0019 -0.0269 -0.0182 61 LEU V C +22858 O O . LEU P 61 ? 0.8749 0.6494 0.5778 0.0027 -0.0240 -0.0167 61 LEU V O +22859 C CB . LEU P 61 ? 0.9231 0.7073 0.6387 0.0011 -0.0330 -0.0170 61 LEU V CB +22860 C CG . LEU P 61 ? 1.0151 0.8017 0.7325 0.0012 -0.0385 -0.0174 61 LEU V CG +22861 C CD1 . LEU P 61 ? 1.0053 0.7973 0.7298 0.0005 -0.0383 -0.0155 61 LEU V CD1 +22862 C CD2 . LEU P 61 ? 1.0358 0.8167 0.7428 0.0033 -0.0408 -0.0177 61 LEU V CD2 +22863 N N . ALA P 62 ? 0.8556 0.6333 0.5660 0.0012 -0.0251 -0.0193 62 ALA V N +22864 C CA . ALA P 62 ? 0.8766 0.6511 0.5833 0.0018 -0.0200 -0.0192 62 ALA V CA +22865 C C . ALA P 62 ? 0.9619 0.7288 0.6565 0.0037 -0.0199 -0.0200 62 ALA V C +22866 O O . ALA P 62 ? 0.9089 0.6730 0.5986 0.0044 -0.0241 -0.0212 62 ALA V O +22867 C CB . ALA P 62 ? 0.8140 0.5906 0.5260 0.0010 -0.0186 -0.0204 62 ALA V CB +22868 N N . THR P 63 ? 0.8996 0.6632 0.5895 0.0044 -0.0149 -0.0194 63 THR V N +22869 C CA . THR P 63 ? 0.8153 0.5714 0.4936 0.0061 -0.0139 -0.0202 63 THR V CA +22870 C C . THR P 63 ? 0.9534 0.7077 0.6307 0.0064 -0.0102 -0.0214 63 THR V C +22871 O O . THR P 63 ? 0.9702 0.7272 0.6519 0.0058 -0.0056 -0.0205 63 THR V O +22872 C CB . THR P 63 ? 0.9479 0.7008 0.6201 0.0069 -0.0110 -0.0183 63 THR V CB +22873 O OG1 . THR P 63 ? 0.9746 0.7288 0.6474 0.0069 -0.0145 -0.0172 63 THR V OG1 +22874 C CG2 . THR P 63 ? 0.8375 0.5822 0.4972 0.0088 -0.0098 -0.0191 63 THR V CG2 +22875 N N . PRO P 64 ? 0.9366 0.6868 0.6085 0.0073 -0.0121 -0.0236 64 PRO V N +22876 C CA . PRO P 64 ? 0.8795 0.6273 0.5477 0.0077 -0.0178 -0.0252 64 PRO V CA +22877 C C . PRO P 64 ? 0.9396 0.6938 0.6180 0.0060 -0.0216 -0.0256 64 PRO V C +22878 O O . PRO P 64 ? 0.9284 0.6877 0.6156 0.0048 -0.0194 -0.0249 64 PRO V O +22879 C CB . PRO P 64 ? 0.9103 0.6525 0.5715 0.0089 -0.0173 -0.0273 64 PRO V CB +22880 C CG . PRO P 64 ? 1.0092 0.7534 0.6750 0.0085 -0.0124 -0.0272 64 PRO V CG +22881 C CD . PRO P 64 ? 0.8673 0.6147 0.5365 0.0080 -0.0083 -0.0248 64 PRO V CD +22882 N N . PRO P 65 ? 0.9604 0.7143 0.6377 0.0060 -0.0271 -0.0267 65 PRO V N +22883 C CA . PRO P 65 ? 0.9725 0.7326 0.6596 0.0042 -0.0306 -0.0270 65 PRO V CA +22884 C C . PRO P 65 ? 1.0111 0.7729 0.7038 0.0031 -0.0294 -0.0283 65 PRO V C +22885 O O . PRO P 65 ? 0.9298 0.6871 0.6173 0.0039 -0.0287 -0.0300 65 PRO V O +22886 C CB . PRO P 65 ? 0.9038 0.6619 0.5867 0.0046 -0.0364 -0.0285 65 PRO V CB +22887 C CG . PRO P 65 ? 0.9357 0.6880 0.6080 0.0067 -0.0360 -0.0280 65 PRO V CG +22888 C CD . PRO P 65 ? 0.9117 0.6601 0.5792 0.0075 -0.0303 -0.0275 65 PRO V CD +22889 N N . ARG P 66 ? 0.8925 0.6608 0.5956 0.0015 -0.0294 -0.0275 66 ARG V N +22890 C CA . ARG P 66 ? 0.8476 0.6178 0.5565 0.0005 -0.0283 -0.0285 66 ARG V CA +22891 C C . ARG P 66 ? 0.8653 0.6392 0.5809 -0.0013 -0.0328 -0.0295 66 ARG V C +22892 O O . ARG P 66 ? 0.8509 0.6269 0.5722 -0.0023 -0.0322 -0.0300 66 ARG V O +22893 C CB . ARG P 66 ? 0.9158 0.6900 0.6311 0.0000 -0.0236 -0.0268 66 ARG V CB +22894 C CG . ARG P 66 ? 0.8730 0.6445 0.5831 0.0014 -0.0188 -0.0256 66 ARG V CG +22895 C CD . ARG P 66 ? 0.9162 0.6816 0.6183 0.0029 -0.0166 -0.0272 66 ARG V CD +22896 N NE . ARG P 66 ? 0.9955 0.7594 0.6946 0.0038 -0.0113 -0.0260 66 ARG V NE +22897 C CZ . ARG P 66 ? 1.0142 0.7735 0.7070 0.0052 -0.0082 -0.0270 66 ARG V CZ +22898 N NH1 . ARG P 66 ? 0.8742 0.6293 0.5624 0.0059 -0.0099 -0.0292 66 ARG V NH1 +22899 N NH2 . ARG P 66 ? 0.8593 0.6181 0.5504 0.0058 -0.0031 -0.0258 66 ARG V NH2 +22900 N N . ASP P 67 ? 0.8274 0.6021 0.5422 -0.0015 -0.0372 -0.0297 67 ASP V N +22901 C CA . ASP P 67 ? 0.8859 0.6644 0.6072 -0.0033 -0.0415 -0.0307 67 ASP V CA +22902 C C . ASP P 67 ? 1.0150 0.7896 0.7323 -0.0035 -0.0444 -0.0334 67 ASP V C +22903 O O . ASP P 67 ? 0.9117 0.6875 0.6302 -0.0045 -0.0490 -0.0346 67 ASP V O +22904 C CB . ASP P 67 ? 0.8999 0.6815 0.6226 -0.0035 -0.0449 -0.0299 67 ASP V CB +22905 C CG . ASP P 67 ? 0.8519 0.6285 0.5649 -0.0017 -0.0471 -0.0306 67 ASP V CG +22906 O OD1 . ASP P 67 ? 1.0152 0.7861 0.7201 -0.0002 -0.0446 -0.0309 67 ASP V OD1 +22907 O OD2 . ASP P 67 ? 1.0194 0.7976 0.7325 -0.0018 -0.0512 -0.0308 67 ASP V OD2 +22908 N N . ASN P 68 ? 0.8016 0.5713 0.5140 -0.0027 -0.0419 -0.0345 68 ASN V N +22909 C CA . ASN P 68 ? 0.8536 0.6190 0.5618 -0.0029 -0.0445 -0.0371 68 ASN V CA +22910 C C . ASN P 68 ? 0.9687 0.7310 0.6755 -0.0023 -0.0406 -0.0377 68 ASN V C +22911 O O . ASN P 68 ? 0.8944 0.6571 0.6015 -0.0013 -0.0360 -0.0362 68 ASN V O +22912 C CB . ASN P 68 ? 0.8034 0.5635 0.5016 -0.0014 -0.0473 -0.0384 68 ASN V CB +22913 C CG . ASN P 68 ? 0.9126 0.6682 0.6026 0.0008 -0.0437 -0.0374 68 ASN V CG +22914 O OD1 . ASN P 68 ? 0.9298 0.6814 0.6156 0.0018 -0.0403 -0.0380 68 ASN V OD1 +22915 N ND2 . ASN P 68 ? 1.0112 0.7676 0.6989 0.0017 -0.0442 -0.0359 68 ASN V ND2 +22916 N N . ILE P 69 ? 0.8301 0.5890 0.5348 -0.0028 -0.0424 -0.0400 69 ILE V N +22917 C CA . ILE P 69 ? 0.8642 0.6205 0.5687 -0.0023 -0.0391 -0.0408 69 ILE V CA +22918 C C . ILE P 69 ? 0.8379 0.5898 0.5349 0.0001 -0.0348 -0.0404 69 ILE V C +22919 O O . ILE P 69 ? 0.8904 0.6434 0.5901 0.0007 -0.0304 -0.0394 69 ILE V O +22920 C CB . ILE P 69 ? 0.9203 0.6726 0.6224 -0.0031 -0.0421 -0.0435 69 ILE V CB +22921 C CG1 . ILE P 69 ? 0.8529 0.6099 0.5635 -0.0058 -0.0456 -0.0438 69 ILE V CG1 +22922 C CG2 . ILE P 69 ? 0.8408 0.5888 0.5400 -0.0020 -0.0386 -0.0444 69 ILE V CG2 +22923 C CD1 . ILE P 69 ? 0.9662 0.7279 0.6861 -0.0068 -0.0429 -0.0423 69 ILE V CD1 +22924 N N . GLU P 70 ? 0.8272 0.5741 0.5148 0.0015 -0.0360 -0.0412 70 GLU V N +22925 C CA . GLU P 70 ? 0.8573 0.5991 0.5367 0.0037 -0.0320 -0.0411 70 GLU V CA +22926 C C . GLU P 70 ? 0.9877 0.7329 0.6698 0.0043 -0.0277 -0.0385 70 GLU V C +22927 O O . GLU P 70 ? 0.8903 0.6344 0.5713 0.0054 -0.0229 -0.0381 70 GLU V O +22928 C CB . GLU P 70 ? 0.9905 0.7263 0.6591 0.0050 -0.0345 -0.0424 70 GLU V CB +22929 C CG . GLU P 70 ? 0.9681 0.6989 0.6318 0.0049 -0.0382 -0.0454 70 GLU V CG +22930 C CD . GLU P 70 ? 1.0024 0.7290 0.6634 0.0057 -0.0351 -0.0468 70 GLU V CD +22931 O OE1 . GLU P 70 ? 1.0432 0.7686 0.7020 0.0073 -0.0301 -0.0458 70 GLU V OE1 +22932 O OE2 . GLU P 70 ? 1.0289 0.7535 0.6903 0.0048 -0.0375 -0.0489 70 GLU V OE2 +22933 N N . GLY P 71 ? 0.8720 0.6214 0.5576 0.0035 -0.0293 -0.0369 71 GLY V N +22934 C CA . GLY P 71 ? 0.8660 0.6188 0.5548 0.0037 -0.0255 -0.0344 71 GLY V CA +22935 C C . GLY P 71 ? 0.9310 0.6887 0.6288 0.0029 -0.0222 -0.0335 71 GLY V C +22936 O O . GLY P 71 ? 0.8966 0.6550 0.5948 0.0036 -0.0175 -0.0323 71 GLY V O +22937 N N . LEU P 72 ? 0.7848 0.5458 0.4898 0.0013 -0.0245 -0.0341 72 LEU V N +22938 C CA . LEU P 72 ? 0.8648 0.6304 0.5784 0.0006 -0.0218 -0.0333 72 LEU V CA +22939 C C . LEU P 72 ? 0.8731 0.6354 0.5842 0.0019 -0.0183 -0.0344 72 LEU V C +22940 O O . LEU P 72 ? 0.8694 0.6344 0.5846 0.0023 -0.0142 -0.0333 72 LEU V O +22941 C CB . LEU P 72 ? 0.8170 0.5866 0.5385 -0.0014 -0.0253 -0.0336 72 LEU V CB +22942 C CG . LEU P 72 ? 0.8545 0.6299 0.5822 -0.0028 -0.0273 -0.0319 72 LEU V CG +22943 C CD1 . LEU P 72 ? 0.8069 0.5859 0.5418 -0.0049 -0.0308 -0.0324 72 LEU V CD1 +22944 C CD2 . LEU P 72 ? 0.8373 0.6167 0.5696 -0.0026 -0.0231 -0.0297 72 LEU V CD2 +22945 N N . VAL P 73 ? 0.8881 0.6446 0.5926 0.0025 -0.0199 -0.0366 73 VAL V N +22946 C CA . VAL P 73 ? 0.8016 0.5541 0.5025 0.0040 -0.0168 -0.0379 73 VAL V CA +22947 C C . VAL P 73 ? 0.8970 0.6474 0.5923 0.0059 -0.0121 -0.0372 73 VAL V C +22948 O O . VAL P 73 ? 0.9141 0.6649 0.6107 0.0070 -0.0079 -0.0370 73 VAL V O +22949 C CB . VAL P 73 ? 0.9542 0.7006 0.6486 0.0043 -0.0200 -0.0406 73 VAL V CB +22950 C CG1 . VAL P 73 ? 0.8856 0.6267 0.5740 0.0063 -0.0166 -0.0420 73 VAL V CG1 +22951 C CG2 . VAL P 73 ? 0.8632 0.6116 0.5638 0.0023 -0.0237 -0.0415 73 VAL V CG2 +22952 N N . ASP P 74 ? 0.8472 0.5954 0.5363 0.0064 -0.0129 -0.0366 74 ASP V N +22953 C CA . ASP P 74 ? 0.9016 0.6479 0.5855 0.0079 -0.0083 -0.0356 74 ASP V CA +22954 C C . ASP P 74 ? 0.9485 0.7012 0.6405 0.0073 -0.0046 -0.0333 74 ASP V C +22955 O O . ASP P 74 ? 0.8696 0.6223 0.5612 0.0083 0.0002 -0.0329 74 ASP V O +22956 C CB . ASP P 74 ? 0.9103 0.6528 0.5859 0.0085 -0.0102 -0.0353 74 ASP V CB +22957 C CG . ASP P 74 ? 0.9739 0.7146 0.6444 0.0097 -0.0055 -0.0339 74 ASP V CG +22958 O OD1 . ASP P 74 ? 0.9703 0.7067 0.6348 0.0113 -0.0021 -0.0348 74 ASP V OD1 +22959 O OD2 . ASP P 74 ? 0.9962 0.7398 0.6688 0.0091 -0.0051 -0.0320 74 ASP V OD2 +22960 N N . TYR P 75 ? 0.8583 0.6166 0.5581 0.0056 -0.0069 -0.0320 75 TYR V N +22961 C CA . TYR P 75 ? 0.8750 0.6394 0.5827 0.0049 -0.0038 -0.0299 75 TYR V CA +22962 C C . TYR P 75 ? 0.8672 0.6339 0.5803 0.0052 -0.0005 -0.0303 75 TYR V C +22963 O O . TYR P 75 ? 0.7892 0.5583 0.5046 0.0057 0.0039 -0.0293 75 TYR V O +22964 C CB . TYR P 75 ? 0.8830 0.6528 0.5981 0.0030 -0.0071 -0.0286 75 TYR V CB +22965 C CG . TYR P 75 ? 1.0015 0.7768 0.7231 0.0023 -0.0041 -0.0264 75 TYR V CG +22966 C CD1 . TYR P 75 ? 0.8506 0.6260 0.5696 0.0023 -0.0033 -0.0248 75 TYR V CD1 +22967 C CD2 . TYR P 75 ? 0.9420 0.7224 0.6724 0.0017 -0.0021 -0.0259 75 TYR V CD2 +22968 C CE1 . TYR P 75 ? 0.8333 0.6135 0.5582 0.0015 -0.0005 -0.0228 75 TYR V CE1 +22969 C CE2 . TYR P 75 ? 0.7988 0.5843 0.5352 0.0010 0.0005 -0.0240 75 TYR V CE2 +22970 C CZ . TYR P 75 ? 0.8616 0.6470 0.5954 0.0009 0.0013 -0.0225 75 TYR V CZ +22971 O OH . TYR P 75 ? 0.8418 0.6322 0.5816 0.0001 0.0039 -0.0207 75 TYR V OH +22972 N N . MET P 76 ? 0.8066 0.5725 0.5217 0.0050 -0.0027 -0.0319 76 MET V N +22973 C CA . MET P 76 ? 0.8392 0.6070 0.5592 0.0056 0.0000 -0.0324 76 MET V CA +22974 C C . MET P 76 ? 0.9739 0.7373 0.6877 0.0077 0.0039 -0.0335 76 MET V C +22975 O O . MET P 76 ? 0.9081 0.6734 0.6258 0.0085 0.0069 -0.0338 76 MET V O +22976 C CB . MET P 76 ? 0.7725 0.5399 0.4957 0.0048 -0.0036 -0.0338 76 MET V CB +22977 C CG . MET P 76 ? 0.8978 0.6706 0.6291 0.0026 -0.0068 -0.0326 76 MET V CG +22978 S SD . MET P 76 ? 0.8991 0.6717 0.6346 0.0014 -0.0106 -0.0340 76 MET V SD +22979 C CE . MET P 76 ? 0.8692 0.6391 0.6002 0.0000 -0.0161 -0.0349 76 MET V CE +22980 N N . LYS P 77 ? 0.9044 0.6621 0.6084 0.0088 0.0040 -0.0343 77 LYS V N +22981 C CA . LYS P 77 ? 0.9872 0.7410 0.6851 0.0108 0.0083 -0.0352 77 LYS V CA +22982 C C . LYS P 77 ? 0.9468 0.7023 0.6438 0.0111 0.0126 -0.0335 77 LYS V C +22983 O O . LYS P 77 ? 0.8715 0.6278 0.5692 0.0123 0.0174 -0.0335 77 LYS V O +22984 C CB . LYS P 77 ? 0.8564 0.6023 0.5434 0.0119 0.0063 -0.0371 77 LYS V CB +22985 C CG . LYS P 77 ? 0.9201 0.6635 0.6072 0.0117 0.0026 -0.0391 77 LYS V CG +22986 C CD . LYS P 77 ? 0.9723 0.7086 0.6494 0.0122 -0.0007 -0.0408 77 LYS V CD +22987 C CE . LYS P 77 ? 0.9242 0.6581 0.6017 0.0117 -0.0044 -0.0429 77 LYS V CE +22988 N NZ . LYS P 77 ? 1.0119 0.7389 0.6797 0.0120 -0.0079 -0.0448 77 LYS V NZ +22989 N N . ASN P 78 ? 0.8133 0.5696 0.5092 0.0101 0.0112 -0.0319 78 ASN V N +22990 C CA . ASN P 78 ? 0.9916 0.7480 0.6847 0.0103 0.0149 -0.0304 78 ASN V CA +22991 C C . ASN P 78 ? 0.9196 0.6800 0.6169 0.0086 0.0129 -0.0283 78 ASN V C +22992 O O . ASN P 78 ? 0.8756 0.6329 0.5669 0.0085 0.0111 -0.0278 78 ASN V O +22993 C CB . ASN P 78 ? 0.9244 0.6732 0.6053 0.0118 0.0156 -0.0313 78 ASN V CB +22994 C CG . ASN P 78 ? 1.0024 0.7505 0.6795 0.0122 0.0204 -0.0299 78 ASN V CG +22995 O OD1 . ASN P 78 ? 1.0893 0.8415 0.7717 0.0121 0.0248 -0.0291 78 ASN V OD1 +22996 N ND2 . ASN P 78 ? 0.9700 0.7129 0.6380 0.0126 0.0195 -0.0295 78 ASN V ND2 +22997 N N . PRO P 79 ? 0.8969 0.6641 0.6045 0.0073 0.0133 -0.0272 79 PRO V N +22998 C CA . PRO P 79 ? 0.8399 0.6110 0.5519 0.0056 0.0110 -0.0254 79 PRO V CA +22999 C C . PRO P 79 ? 0.8524 0.6228 0.5608 0.0056 0.0140 -0.0237 79 PRO V C +23000 O O . PRO P 79 ? 0.8707 0.6405 0.5772 0.0063 0.0188 -0.0234 79 PRO V O +23001 C CB . PRO P 79 ? 0.7998 0.5780 0.5233 0.0045 0.0115 -0.0247 79 PRO V CB +23002 C CG . PRO P 79 ? 0.8436 0.6223 0.5680 0.0057 0.0163 -0.0253 79 PRO V CG +23003 C CD . PRO P 79 ? 0.8611 0.6328 0.5764 0.0074 0.0161 -0.0274 79 PRO V CD +23004 N N . THR P 80 ? 0.8962 0.6667 0.6037 0.0048 0.0110 -0.0225 80 THR V N +23005 C CA . THR P 80 ? 0.8931 0.6625 0.5969 0.0046 0.0132 -0.0208 80 THR V CA +23006 C C . THR P 80 ? 0.8884 0.6636 0.6001 0.0029 0.0119 -0.0189 80 THR V C +23007 O O . THR P 80 ? 0.8316 0.6108 0.5501 0.0020 0.0085 -0.0191 80 THR V O +23008 C CB . THR P 80 ? 0.8347 0.5974 0.5277 0.0056 0.0109 -0.0211 80 THR V CB +23009 O OG1 . THR P 80 ? 0.9418 0.7052 0.6363 0.0051 0.0051 -0.0215 80 THR V OG1 +23010 C CG2 . THR P 80 ? 0.9972 0.7536 0.6815 0.0073 0.0122 -0.0229 80 THR V CG2 +23011 N N . THR P 81 ? 0.8679 0.6431 0.5781 0.0025 0.0145 -0.0172 81 THR V N +23012 C CA . THR P 81 ? 0.9176 0.6966 0.6328 0.0012 0.0125 -0.0155 81 THR V CA +23013 C C . THR P 81 ? 0.8170 0.5935 0.5283 0.0015 0.0070 -0.0158 81 THR V C +23014 O O . THR P 81 ? 0.8825 0.6539 0.5864 0.0027 0.0049 -0.0171 81 THR V O +23015 C CB . THR P 81 ? 0.9804 0.7589 0.6935 0.0008 0.0164 -0.0137 81 THR V CB +23016 O OG1 . THR P 81 ? 0.8924 0.6637 0.5941 0.0021 0.0178 -0.0139 81 THR V OG1 +23017 C CG2 . THR P 81 ? 0.7369 0.5199 0.4566 0.0000 0.0214 -0.0133 81 THR V CG2 +23018 N N . TYR P 82 ? 0.8193 0.5995 0.5356 0.0004 0.0047 -0.0144 82 TYR V N +23019 C CA . TYR P 82 ? 0.8780 0.6576 0.5930 0.0005 -0.0008 -0.0147 82 TYR V CA +23020 C C . TYR P 82 ? 0.8703 0.6431 0.5741 0.0020 -0.0019 -0.0147 82 TYR V C +23021 O O . TYR P 82 ? 0.8589 0.6296 0.5593 0.0026 -0.0065 -0.0157 82 TYR V O +23022 C CB . TYR P 82 ? 0.8036 0.5888 0.5264 -0.0008 -0.0023 -0.0131 82 TYR V CB +23023 C CG . TYR P 82 ? 0.8668 0.6533 0.5912 -0.0010 -0.0080 -0.0135 82 TYR V CG +23024 C CD1 . TYR P 82 ? 0.7471 0.5356 0.4756 -0.0014 -0.0110 -0.0151 82 TYR V CD1 +23025 C CD2 . TYR P 82 ? 0.7926 0.5785 0.5147 -0.0008 -0.0101 -0.0123 82 TYR V CD2 +23026 C CE1 . TYR P 82 ? 0.8426 0.6328 0.5731 -0.0018 -0.0161 -0.0155 82 TYR V CE1 +23027 C CE2 . TYR P 82 ? 0.8038 0.5915 0.5280 -0.0009 -0.0153 -0.0127 82 TYR V CE2 +23028 C CZ . TYR P 82 ? 0.8331 0.6230 0.5615 -0.0014 -0.0182 -0.0144 82 TYR V CZ +23029 O OH . TYR P 82 ? 0.8401 0.6321 0.5709 -0.0017 -0.0232 -0.0149 82 TYR V OH +23030 N N . ASP P 83 ? 0.8489 0.6183 0.5470 0.0024 0.0021 -0.0136 83 ASP V N +23031 C CA . ASP P 83 ? 0.8777 0.6402 0.5646 0.0039 0.0016 -0.0134 83 ASP V CA +23032 C C . ASP P 83 ? 0.9626 0.7192 0.6410 0.0052 0.0037 -0.0149 83 ASP V C +23033 O O . ASP P 83 ? 0.9610 0.7113 0.6293 0.0065 0.0042 -0.0146 83 ASP V O +23034 C CB . ASP P 83 ? 0.8753 0.6371 0.5605 0.0035 0.0047 -0.0112 83 ASP V CB +23035 C CG . ASP P 83 ? 0.9411 0.7047 0.6294 0.0026 0.0109 -0.0105 83 ASP V CG +23036 O OD1 . ASP P 83 ? 0.9466 0.7119 0.6381 0.0025 0.0127 -0.0117 83 ASP V OD1 +23037 O OD2 . ASP P 83 ? 0.9011 0.6645 0.5888 0.0019 0.0138 -0.0087 83 ASP V OD2 +23038 N N . GLY P 84 ? 0.9233 0.6817 0.6054 0.0051 0.0050 -0.0163 84 GLY V N +23039 C CA . GLY P 84 ? 0.8865 0.6398 0.5615 0.0064 0.0071 -0.0179 84 GLY V CA +23040 C C . GLY P 84 ? 0.9334 0.6838 0.6037 0.0068 0.0131 -0.0170 84 GLY V C +23041 O O . GLY P 84 ? 1.0202 0.7665 0.6846 0.0080 0.0154 -0.0183 84 GLY V O +23042 N N A GLU P 85 ? 0.8944 0.6469 0.5671 0.0058 0.0159 -0.0150 85 GLU V N +23043 N N B GLU P 85 ? 0.8934 0.6461 0.5665 0.0058 0.0160 -0.0150 85 GLU V N +23044 C CA A GLU P 85 ? 1.0242 0.7734 0.6914 0.0061 0.0216 -0.0141 85 GLU V CA +23045 C CA B GLU P 85 ? 1.0242 0.7737 0.6918 0.0060 0.0216 -0.0141 85 GLU V CA +23046 C C A GLU P 85 ? 0.9498 0.7018 0.6214 0.0058 0.0265 -0.0149 85 GLU V C +23047 C C B GLU P 85 ? 0.9491 0.7016 0.6214 0.0056 0.0267 -0.0146 85 GLU V C +23048 O O A GLU P 85 ? 0.9915 0.7395 0.6568 0.0065 0.0309 -0.0150 85 GLU V O +23049 O O B GLU P 85 ? 1.0119 0.7612 0.6788 0.0060 0.0315 -0.0144 85 GLU V O +23050 C CB A GLU P 85 ? 0.9713 0.7221 0.6402 0.0048 0.0232 -0.0118 85 GLU V CB +23051 C CB B GLU P 85 ? 0.9707 0.7213 0.6394 0.0049 0.0228 -0.0117 85 GLU V CB +23052 C CG A GLU P 85 ? 1.1500 0.8952 0.8101 0.0052 0.0280 -0.0107 85 GLU V CG +23053 C CG B GLU P 85 ? 0.8184 0.5659 0.4822 0.0054 0.0180 -0.0109 85 GLU V CG +23054 C CD A GLU P 85 ? 0.9556 0.6923 0.6030 0.0072 0.0265 -0.0116 85 GLU V CD +23055 C CD B GLU P 85 ? 1.1498 0.8903 0.8026 0.0063 0.0201 -0.0097 85 GLU V CD +23056 O OE1 A GLU P 85 ? 1.0598 0.7940 0.7031 0.0080 0.0217 -0.0115 85 GLU V OE1 +23057 O OE1 B GLU P 85 ? 1.0862 0.8226 0.7328 0.0068 0.0247 -0.0099 85 GLU V OE1 +23058 O OE2 A GLU P 85 ? 1.2635 0.9964 0.9051 0.0081 0.0301 -0.0125 85 GLU V OE2 +23059 O OE2 B GLU P 85 ? 1.1504 0.8892 0.8004 0.0065 0.0173 -0.0085 85 GLU V OE2 +23060 N N . GLN P 86 ? 0.9329 0.6915 0.6151 0.0049 0.0258 -0.0154 86 GLN V N +23061 C CA . GLN P 86 ? 0.9597 0.7217 0.6469 0.0048 0.0304 -0.0160 86 GLN V CA +23062 C C . GLN P 86 ? 1.0389 0.8033 0.7311 0.0053 0.0281 -0.0179 86 GLN V C +23063 O O . GLN P 86 ? 0.9275 0.6942 0.6239 0.0048 0.0234 -0.0182 86 GLN V O +23064 C CB . GLN P 86 ? 0.9668 0.7353 0.6631 0.0030 0.0333 -0.0144 86 GLN V CB +23065 C CG . GLN P 86 ? 1.3544 1.1249 1.0530 0.0030 0.0393 -0.0148 86 GLN V CG +23066 C CD . GLN P 86 ? 1.7478 1.5262 1.4578 0.0013 0.0412 -0.0138 86 GLN V CD +23067 O OE1 . GLN P 86 ? 1.9980 1.7810 1.7150 0.0015 0.0423 -0.0148 86 GLN V OE1 +23068 N NE2 . GLN P 86 ? 1.7194 1.4991 1.4309 -0.0002 0.0416 -0.0119 86 GLN V NE2 +23069 N N . GLU P 87 ? 0.9070 0.6710 0.5988 0.0062 0.0318 -0.0191 87 GLU V N +23070 C CA . GLU P 87 ? 0.9749 0.7408 0.6710 0.0068 0.0306 -0.0209 87 GLU V CA +23071 C C . GLU P 87 ? 0.9566 0.7302 0.6641 0.0058 0.0329 -0.0204 87 GLU V C +23072 O O . GLU P 87 ? 0.9666 0.7424 0.6760 0.0055 0.0378 -0.0197 87 GLU V O +23073 C CB . GLU P 87 ? 0.8762 0.6367 0.5645 0.0087 0.0332 -0.0226 87 GLU V CB +23074 C CG . GLU P 87 ? 1.0846 0.8374 0.7615 0.0098 0.0305 -0.0233 87 GLU V CG +23075 C CD . GLU P 87 ? 1.1143 0.8612 0.7827 0.0117 0.0330 -0.0250 87 GLU V CD +23076 O OE1 . GLU P 87 ? 1.0726 0.8210 0.7426 0.0122 0.0381 -0.0252 87 GLU V OE1 +23077 O OE2 . GLU P 87 ? 1.0391 0.7801 0.6994 0.0128 0.0298 -0.0262 87 GLU V OE2 +23078 N N . ILE P 88 ? 0.8424 0.6200 0.5573 0.0053 0.0294 -0.0208 88 ILE V N +23079 C CA . ILE P 88 ? 0.8741 0.6592 0.6001 0.0042 0.0306 -0.0201 88 ILE V CA +23080 C C . ILE P 88 ? 0.8713 0.6585 0.6020 0.0051 0.0306 -0.0218 88 ILE V C +23081 O O . ILE P 88 ? 0.8399 0.6328 0.5798 0.0044 0.0299 -0.0215 88 ILE V O +23082 C CB . ILE P 88 ? 0.8360 0.6249 0.5677 0.0025 0.0267 -0.0187 88 ILE V CB +23083 C CG1 . ILE P 88 ? 0.8784 0.6655 0.6094 0.0026 0.0211 -0.0197 88 ILE V CG1 +23084 C CG2 . ILE P 88 ? 0.7767 0.5635 0.5037 0.0018 0.0272 -0.0170 88 ILE V CG2 +23085 C CD1 . ILE P 88 ? 0.8020 0.5938 0.5401 0.0010 0.0174 -0.0186 88 ILE V CD1 +23086 N N . ALA P 89 ? 0.8520 0.6341 0.5761 0.0069 0.0315 -0.0235 89 ALA V N +23087 C CA . ALA P 89 ? 0.8897 0.6727 0.6169 0.0080 0.0317 -0.0251 89 ALA V CA +23088 C C . ALA P 89 ? 0.7838 0.5733 0.5197 0.0080 0.0354 -0.0248 89 ALA V C +23089 O O . ALA P 89 ? 0.9283 0.7207 0.6701 0.0084 0.0345 -0.0256 89 ALA V O +23090 C CB . ALA P 89 ? 0.9154 0.6917 0.6332 0.0100 0.0333 -0.0269 89 ALA V CB +23091 N N . GLU P 90 ? 0.9316 0.7235 0.6685 0.0074 0.0396 -0.0236 90 GLU V N +23092 C CA . GLU P 90 ? 0.9820 0.7802 0.7271 0.0074 0.0433 -0.0234 90 GLU V CA +23093 C C . GLU P 90 ? 1.0386 0.8434 0.7939 0.0059 0.0410 -0.0224 90 GLU V C +23094 O O . GLU P 90 ? 0.8391 0.6494 0.6022 0.0061 0.0430 -0.0225 90 GLU V O +23095 C CB . GLU P 90 ? 1.0094 0.8082 0.7525 0.0069 0.0484 -0.0225 90 GLU V CB +23096 C CG . GLU P 90 ? 1.1791 0.9814 0.9261 0.0080 0.0535 -0.0234 90 GLU V CG +23097 C CD . GLU P 90 ? 1.2669 1.0682 1.0098 0.0077 0.0588 -0.0228 90 GLU V CD +23098 O OE1 . GLU P 90 ? 1.3922 1.1895 1.1287 0.0067 0.0586 -0.0217 90 GLU V OE1 +23099 O OE2 . GLU P 90 ? 1.4284 1.2329 1.1744 0.0085 0.0633 -0.0236 90 GLU V OE2 +23100 N N . VAL P 91 ? 0.7758 0.5803 0.5314 0.0045 0.0369 -0.0213 91 VAL V N +23101 C CA . VAL P 91 ? 0.8394 0.6500 0.6043 0.0031 0.0347 -0.0203 91 VAL V CA +23102 C C . VAL P 91 ? 0.8309 0.6403 0.5965 0.0027 0.0292 -0.0206 91 VAL V C +23103 O O . VAL P 91 ? 0.8407 0.6545 0.6135 0.0016 0.0271 -0.0198 91 VAL V O +23104 C CB . VAL P 91 ? 0.8319 0.6452 0.5989 0.0012 0.0357 -0.0183 91 VAL V CB +23105 C CG1 . VAL P 91 ? 0.7939 0.6100 0.5627 0.0012 0.0413 -0.0180 91 VAL V CG1 +23106 C CG2 . VAL P 91 ? 0.7413 0.5493 0.5002 0.0007 0.0337 -0.0175 91 VAL V CG2 +23107 N N . HIS P 92 ? 0.8040 0.6074 0.5623 0.0037 0.0270 -0.0219 92 HIS V N +23108 C CA . HIS P 92 ? 0.8383 0.6404 0.5971 0.0033 0.0219 -0.0224 92 HIS V CA +23109 C C . HIS P 92 ? 0.8523 0.6505 0.6078 0.0049 0.0214 -0.0245 92 HIS V C +23110 O O . HIS P 92 ? 0.9181 0.7117 0.6664 0.0063 0.0235 -0.0255 92 HIS V O +23111 C CB . HIS P 92 ? 0.7673 0.5657 0.5201 0.0025 0.0186 -0.0219 92 HIS V CB +23112 C CG . HIS P 92 ? 0.8980 0.6964 0.6529 0.0016 0.0134 -0.0223 92 HIS V CG +23113 N ND1 . HIS P 92 ? 0.7696 0.5641 0.5212 0.0024 0.0109 -0.0240 92 HIS V ND1 +23114 C CD2 . HIS P 92 ? 0.7696 0.5717 0.5299 0.0001 0.0104 -0.0211 92 HIS V CD2 +23115 C CE1 . HIS P 92 ? 0.8086 0.6044 0.5634 0.0011 0.0066 -0.0239 92 HIS V CE1 +23116 N NE2 . HIS P 92 ? 0.7636 0.5641 0.5237 -0.0002 0.0062 -0.0222 92 HIS V NE2 +23117 N N . PRO P 93 ? 0.9418 0.7415 0.7021 0.0047 0.0187 -0.0251 93 PRO V N +23118 C CA . PRO P 93 ? 0.9251 0.7208 0.6824 0.0063 0.0181 -0.0271 93 PRO V CA +23119 C C . PRO P 93 ? 0.8931 0.6817 0.6407 0.0068 0.0160 -0.0284 93 PRO V C +23120 O O . PRO P 93 ? 0.8949 0.6821 0.6402 0.0055 0.0125 -0.0279 93 PRO V O +23121 C CB . PRO P 93 ? 0.7774 0.5759 0.5416 0.0054 0.0149 -0.0272 93 PRO V CB +23122 C CG . PRO P 93 ? 0.8619 0.6670 0.6340 0.0041 0.0154 -0.0253 93 PRO V CG +23123 C CD . PRO P 93 ? 0.8218 0.6270 0.5909 0.0032 0.0165 -0.0240 93 PRO V CD +23124 N N . SER P 94 ? 0.8702 0.6544 0.6120 0.0086 0.0181 -0.0300 94 SER V N +23125 C CA . SER P 94 ? 0.8481 0.6251 0.5802 0.0093 0.0163 -0.0313 94 SER V CA +23126 C C . SER P 94 ? 0.9224 0.6955 0.6505 0.0115 0.0185 -0.0333 94 SER V C +23127 O O . SER P 94 ? 0.8904 0.6664 0.6227 0.0126 0.0219 -0.0334 94 SER V O +23128 C CB . SER P 94 ? 0.7763 0.5510 0.5018 0.0092 0.0176 -0.0305 94 SER V CB +23129 O OG . SER P 94 ? 0.8223 0.5971 0.5460 0.0105 0.0229 -0.0304 94 SER V OG +23130 N N . LEU P 95 ? 0.8685 0.6348 0.5882 0.0122 0.0164 -0.0349 95 LEU V N +23131 C CA . LEU P 95 ? 1.0152 0.7768 0.7296 0.0144 0.0186 -0.0369 95 LEU V CA +23132 C C . LEU P 95 ? 0.8979 0.6592 0.6089 0.0159 0.0239 -0.0367 95 LEU V C +23133 O O . LEU P 95 ? 0.9401 0.7017 0.6520 0.0177 0.0274 -0.0376 95 LEU V O +23134 C CB . LEU P 95 ? 0.8662 0.6204 0.5719 0.0147 0.0151 -0.0387 95 LEU V CB +23135 C CG . LEU P 95 ? 1.0186 0.7728 0.7277 0.0132 0.0100 -0.0393 95 LEU V CG +23136 C CD1 . LEU P 95 ? 0.9991 0.7457 0.6995 0.0137 0.0070 -0.0414 95 LEU V CD1 +23137 C CD2 . LEU P 95 ? 0.9228 0.6804 0.6396 0.0135 0.0108 -0.0395 95 LEU V CD2 +23138 N N . ARG P 96 ? 0.8615 0.6224 0.5687 0.0152 0.0248 -0.0354 96 ARG V N +23139 C CA . ARG P 96 ? 0.9086 0.6694 0.6128 0.0163 0.0302 -0.0350 96 ARG V CA +23140 C C . ARG P 96 ? 1.0657 0.8337 0.7792 0.0164 0.0340 -0.0341 96 ARG V C +23141 O O . ARG P 96 ? 1.0024 0.7707 0.7147 0.0178 0.0388 -0.0345 96 ARG V O +23142 C CB . ARG P 96 ? 0.8692 0.6287 0.5687 0.0152 0.0301 -0.0335 96 ARG V CB +23143 C CG . ARG P 96 ? 1.1045 0.8636 0.8004 0.0159 0.0355 -0.0329 96 ARG V CG +23144 C CD . ARG P 96 ? 1.1497 0.9057 0.8392 0.0150 0.0344 -0.0317 96 ARG V CD +23145 N NE . ARG P 96 ? 1.3334 1.0877 1.0177 0.0156 0.0395 -0.0310 96 ARG V NE +23146 C CZ . ARG P 96 ? 1.3450 1.0969 1.0240 0.0148 0.0397 -0.0296 96 ARG V CZ +23147 N NH1 . ARG P 96 ? 1.3076 1.0591 0.9863 0.0136 0.0351 -0.0287 96 ARG V NH1 +23148 N NH2 . ARG P 96 ? 1.5637 1.3136 1.2376 0.0154 0.0446 -0.0292 96 ARG V NH2 +23149 N N . SER P 97 ? 0.8740 0.6479 0.5968 0.0149 0.0321 -0.0330 97 SER V N +23150 C CA . SER P 97 ? 0.9552 0.7363 0.6871 0.0148 0.0353 -0.0321 97 SER V CA +23151 C C . SER P 97 ? 0.9191 0.7029 0.6580 0.0154 0.0338 -0.0329 97 SER V C +23152 O O . SER P 97 ? 0.9282 0.7184 0.6760 0.0147 0.0343 -0.0320 97 SER V O +23153 C CB . SER P 97 ? 0.8655 0.6515 0.6024 0.0126 0.0350 -0.0299 97 SER V CB +23154 O OG . SER P 97 ? 0.8582 0.6439 0.5963 0.0110 0.0299 -0.0293 97 SER V OG +23155 N N . ALA P 98 ? 0.9045 0.6831 0.6388 0.0167 0.0320 -0.0348 98 ALA V N +23156 C CA . ALA P 98 ? 0.8899 0.6697 0.6293 0.0175 0.0306 -0.0357 98 ALA V CA +23157 C C . ALA P 98 ? 0.8232 0.6072 0.5677 0.0194 0.0350 -0.0361 98 ALA V C +23158 O O . ALA P 98 ? 0.8898 0.6768 0.6407 0.0199 0.0342 -0.0363 98 ALA V O +23159 C CB . ALA P 98 ? 0.8142 0.5866 0.5464 0.0186 0.0280 -0.0377 98 ALA V CB +23160 N N . ASP P 99 ? 0.7905 0.5747 0.5322 0.0205 0.0396 -0.0362 99 ASP V N +23161 C CA . ASP P 99 ? 0.8286 0.6178 0.5761 0.0221 0.0438 -0.0365 99 ASP V CA +23162 C C . ASP P 99 ? 0.9215 0.7189 0.6793 0.0206 0.0440 -0.0347 99 ASP V C +23163 O O . ASP P 99 ? 1.0949 0.8968 0.8597 0.0217 0.0450 -0.0350 99 ASP V O +23164 C CB . ASP P 99 ? 0.9626 0.7504 0.7049 0.0233 0.0489 -0.0369 99 ASP V CB +23165 C CG . ASP P 99 ? 1.1606 0.9497 0.9014 0.0213 0.0502 -0.0352 99 ASP V CG +23166 O OD1 . ASP P 99 ? 1.0650 0.8524 0.8039 0.0193 0.0466 -0.0341 99 ASP V OD1 +23167 O OD2 . ASP P 99 ? 1.2924 1.0841 1.0337 0.0217 0.0550 -0.0349 99 ASP V OD2 +23168 N N . ILE P 100 ? 0.9214 0.7207 0.6802 0.0181 0.0429 -0.0329 100 ILE V N +23169 C CA . ILE P 100 ? 0.8914 0.6983 0.6596 0.0166 0.0431 -0.0313 100 ILE V CA +23170 C C . ILE P 100 ? 0.9799 0.7881 0.7524 0.0149 0.0382 -0.0304 100 ILE V C +23171 O O . ILE P 100 ? 0.8985 0.7129 0.6793 0.0139 0.0379 -0.0292 100 ILE V O +23172 C CB . ILE P 100 ? 1.0416 0.8507 0.8093 0.0149 0.0457 -0.0298 100 ILE V CB +23173 C CG1 . ILE P 100 ? 0.9698 0.7733 0.7295 0.0136 0.0432 -0.0292 100 ILE V CG1 +23174 C CG2 . ILE P 100 ? 0.8852 0.6949 0.6510 0.0164 0.0513 -0.0305 100 ILE V CG2 +23175 C CD1 . ILE P 100 ? 0.9265 0.7316 0.6856 0.0119 0.0450 -0.0275 100 ILE V CD1 +23176 N N . PHE P 101 ? 0.8487 0.6513 0.6159 0.0145 0.0342 -0.0310 101 PHE V N +23177 C CA . PHE P 101 ? 0.8140 0.6174 0.5850 0.0131 0.0295 -0.0305 101 PHE V CA +23178 C C . PHE P 101 ? 0.8815 0.6806 0.6503 0.0146 0.0277 -0.0323 101 PHE V C +23179 O O . PHE P 101 ? 0.8636 0.6568 0.6261 0.0144 0.0249 -0.0332 101 PHE V O +23180 C CB . PHE P 101 ? 0.8099 0.6109 0.5771 0.0110 0.0262 -0.0296 101 PHE V CB +23181 C CG . PHE P 101 ? 0.8884 0.6936 0.6583 0.0093 0.0275 -0.0276 101 PHE V CG +23182 C CD1 . PHE P 101 ? 0.8480 0.6591 0.6261 0.0078 0.0263 -0.0261 101 PHE V CD1 +23183 C CD2 . PHE P 101 ? 0.8386 0.6414 0.6024 0.0093 0.0299 -0.0273 101 PHE V CD2 +23184 C CE1 . PHE P 101 ? 0.8607 0.6754 0.6412 0.0062 0.0274 -0.0244 101 PHE V CE1 +23185 C CE2 . PHE P 101 ? 0.8779 0.6841 0.6438 0.0077 0.0311 -0.0255 101 PHE V CE2 +23186 C CZ . PHE P 101 ? 0.8164 0.6286 0.5908 0.0062 0.0298 -0.0241 101 PHE V CZ +23187 N N . PRO P 102 ? 0.9100 0.7118 0.6840 0.0163 0.0292 -0.0328 102 PRO V N +23188 C CA . PRO P 102 ? 0.8382 0.6352 0.6091 0.0182 0.0283 -0.0347 102 PRO V CA +23189 C C . PRO P 102 ? 0.9245 0.7178 0.6941 0.0169 0.0233 -0.0350 102 PRO V C +23190 O O . PRO P 102 ? 0.8556 0.6431 0.6202 0.0181 0.0222 -0.0367 102 PRO V O +23191 C CB . PRO P 102 ? 0.8837 0.6857 0.6619 0.0199 0.0304 -0.0348 102 PRO V CB +23192 C CG . PRO P 102 ? 0.9422 0.7511 0.7259 0.0192 0.0335 -0.0334 102 PRO V CG +23193 C CD . PRO P 102 ? 0.8521 0.6614 0.6350 0.0164 0.0313 -0.0318 102 PRO V CD +23194 N N . LYS P 103 ? 0.8476 0.6437 0.6213 0.0144 0.0204 -0.0335 103 LYS V N +23195 C CA . LYS P 103 ? 0.8814 0.6740 0.6539 0.0131 0.0159 -0.0339 103 LYS V CA +23196 C C . LYS P 103 ? 0.8217 0.6078 0.5854 0.0127 0.0140 -0.0350 103 LYS V C +23197 O O . LYS P 103 ? 0.9752 0.7572 0.7365 0.0120 0.0106 -0.0359 103 LYS V O +23198 C CB . LYS P 103 ? 0.8502 0.6475 0.6293 0.0107 0.0132 -0.0322 103 LYS V CB +23199 C CG . LYS P 103 ? 0.9507 0.7536 0.7384 0.0111 0.0141 -0.0313 103 LYS V CG +23200 C CD . LYS P 103 ? 0.9506 0.7563 0.7437 0.0088 0.0106 -0.0300 103 LYS V CD +23201 C CE . LYS P 103 ? 0.8838 0.6947 0.6806 0.0069 0.0107 -0.0282 103 LYS V CE +23202 N NZ . LYS P 103 ? 0.8566 0.6708 0.6594 0.0050 0.0078 -0.0269 103 LYS V NZ +23203 N N . MET P 104 ? 0.8656 0.6506 0.6243 0.0130 0.0160 -0.0349 104 MET V N +23204 C CA . MET P 104 ? 0.8526 0.6314 0.6024 0.0127 0.0143 -0.0359 104 MET V CA +23205 C C . MET P 104 ? 0.9311 0.7036 0.6740 0.0150 0.0155 -0.0381 104 MET V C +23206 O O . MET P 104 ? 0.8445 0.6110 0.5799 0.0148 0.0134 -0.0393 104 MET V O +23207 C CB . MET P 104 ? 0.8795 0.6593 0.6262 0.0122 0.0162 -0.0348 104 MET V CB +23208 C CG . MET P 104 ? 0.8419 0.6273 0.5945 0.0100 0.0150 -0.0326 104 MET V CG +23209 S SD . MET P 104 ? 0.9005 0.6852 0.6543 0.0075 0.0090 -0.0324 104 MET V SD +23210 C CE . MET P 104 ? 0.8573 0.6358 0.6006 0.0074 0.0072 -0.0331 104 MET V CE +23211 N N . ARG P 105 ? 0.9131 0.6868 0.6584 0.0171 0.0187 -0.0387 105 ARG V N +23212 C CA . ARG P 105 ? 0.9724 0.7404 0.7116 0.0196 0.0204 -0.0408 105 ARG V CA +23213 C C . ARG P 105 ? 0.8967 0.6587 0.6323 0.0195 0.0166 -0.0424 105 ARG V C +23214 O O . ARG P 105 ? 1.1178 0.8735 0.8459 0.0210 0.0170 -0.0442 105 ARG V O +23215 C CB . ARG P 105 ? 0.8334 0.6049 0.5774 0.0220 0.0242 -0.0411 105 ARG V CB +23216 C CG . ARG P 105 ? 1.0115 0.7879 0.7576 0.0227 0.0288 -0.0401 105 ARG V CG +23217 C CD . ARG P 105 ? 0.9310 0.7120 0.6836 0.0248 0.0319 -0.0403 105 ARG V CD +23218 N NE . ARG P 105 ? 1.0181 0.8050 0.7744 0.0249 0.0360 -0.0392 105 ARG V NE +23219 C CZ . ARG P 105 ? 1.1251 0.9174 0.8877 0.0265 0.0392 -0.0392 105 ARG V CZ +23220 N NH1 . ARG P 105 ? 1.0800 0.8726 0.8459 0.0283 0.0388 -0.0401 105 ARG V NH1 +23221 N NH2 . ARG P 105 ? 1.0643 0.8620 0.8302 0.0261 0.0428 -0.0382 105 ARG V NH2 +23222 N N . ASN P 106 ? 1.0647 0.8283 0.8054 0.0177 0.0131 -0.0418 106 ASN V N +23223 C CA . ASN P 106 ? 1.3244 1.0821 1.0617 0.0173 0.0098 -0.0434 106 ASN V CA +23224 C C . ASN P 106 ? 1.1729 0.9289 0.9082 0.0145 0.0053 -0.0432 106 ASN V C +23225 O O . ASN P 106 ? 1.2629 1.0163 0.9986 0.0133 0.0019 -0.0439 106 ASN V O +23226 C CB . ASN P 106 ? 1.2108 0.9699 0.9541 0.0179 0.0093 -0.0434 106 ASN V CB +23227 C CG . ASN P 106 ? 1.3410 1.1081 1.0937 0.0169 0.0099 -0.0413 106 ASN V CG +23228 O OD1 . ASN P 106 ? 1.5376 1.3084 1.2933 0.0146 0.0084 -0.0398 106 ASN V OD1 +23229 N ND2 . ASN P 106 ? 1.2310 1.0008 0.9886 0.0188 0.0122 -0.0412 106 ASN V ND2 +23230 N N . LEU P 107 ? 1.0168 0.7742 0.7500 0.0135 0.0052 -0.0423 107 LEU V N +23231 C CA . LEU P 107 ? 1.0309 0.7864 0.7613 0.0112 0.0010 -0.0424 107 LEU V CA +23232 C C . LEU P 107 ? 1.0199 0.7681 0.7400 0.0122 0.0005 -0.0443 107 LEU V C +23233 O O . LEU P 107 ? 1.0576 0.8044 0.7729 0.0140 0.0037 -0.0445 107 LEU V O +23234 C CB . LEU P 107 ? 0.9722 0.7333 0.7061 0.0096 0.0009 -0.0403 107 LEU V CB +23235 C CG . LEU P 107 ? 1.1060 0.8743 0.8501 0.0084 0.0009 -0.0383 107 LEU V CG +23236 C CD1 . LEU P 107 ? 1.0066 0.7796 0.7535 0.0065 -0.0001 -0.0364 107 LEU V CD1 +23237 C CD2 . LEU P 107 ? 0.8884 0.6559 0.6359 0.0071 -0.0023 -0.0389 107 LEU V CD2 +23238 N N . THR P 108 ? 0.9959 0.7395 0.7126 0.0110 -0.0035 -0.0458 108 THR V N +23239 C CA . THR P 108 ? 1.0566 0.7930 0.7633 0.0117 -0.0046 -0.0477 108 THR V CA +23240 C C . THR P 108 ? 0.9654 0.7023 0.6700 0.0097 -0.0080 -0.0472 108 THR V C +23241 O O . THR P 108 ? 0.9537 0.6960 0.6646 0.0077 -0.0098 -0.0456 108 THR V O +23242 C CB . THR P 108 ? 1.0104 0.7407 0.7139 0.0117 -0.0069 -0.0500 108 THR V CB +23243 O OG1 . THR P 108 ? 0.9381 0.6698 0.6459 0.0089 -0.0113 -0.0498 108 THR V OG1 +23244 C CG2 . THR P 108 ? 0.8199 0.5498 0.5257 0.0139 -0.0038 -0.0504 108 THR V CG2 +23245 N N . GLU P 109 ? 0.9196 0.6506 0.6149 0.0105 -0.0089 -0.0487 109 GLU V N +23246 C CA . GLU P 109 ? 1.0396 0.7703 0.7316 0.0090 -0.0122 -0.0485 109 GLU V CA +23247 C C . GLU P 109 ? 0.9475 0.6802 0.6444 0.0063 -0.0171 -0.0486 109 GLU V C +23248 O O . GLU P 109 ? 0.9788 0.7155 0.6787 0.0046 -0.0193 -0.0473 109 GLU V O +23249 C CB . GLU P 109 ? 0.9752 0.6983 0.6559 0.0104 -0.0128 -0.0505 109 GLU V CB +23250 C CG . GLU P 109 ? 0.9327 0.6550 0.6093 0.0093 -0.0164 -0.0504 109 GLU V CG +23251 C CD . GLU P 109 ? 0.9681 0.6925 0.6427 0.0102 -0.0137 -0.0486 109 GLU V CD +23252 O OE1 . GLU P 109 ? 0.9562 0.6809 0.6302 0.0120 -0.0089 -0.0480 109 GLU V OE1 +23253 O OE2 . GLU P 109 ? 0.9706 0.6962 0.6441 0.0092 -0.0163 -0.0479 109 GLU V OE2 +23254 N N . LYS P 110 ? 0.8495 0.5794 0.5473 0.0057 -0.0187 -0.0501 110 LYS V N +23255 C CA . LYS P 110 ? 0.9622 0.6937 0.6646 0.0029 -0.0231 -0.0503 110 LYS V CA +23256 C C . LYS P 110 ? 1.0591 0.7985 0.7719 0.0014 -0.0227 -0.0479 110 LYS V C +23257 O O . LYS P 110 ? 0.8416 0.5844 0.5585 -0.0009 -0.0260 -0.0473 110 LYS V O +23258 C CB . LYS P 110 ? 0.9678 0.6939 0.6683 0.0027 -0.0244 -0.0525 110 LYS V CB +23259 C CG . LYS P 110 ? 1.0325 0.7609 0.7402 0.0002 -0.0268 -0.0523 110 LYS V CG +23260 C CD . LYS P 110 ? 1.0667 0.7901 0.7729 0.0012 -0.0257 -0.0538 110 LYS V CD +23261 C CE . LYS P 110 ? 1.2397 0.9646 0.9525 -0.0012 -0.0278 -0.0536 110 LYS V CE +23262 N NZ . LYS P 110 ? 1.2207 0.9398 0.9312 -0.0001 -0.0269 -0.0552 110 LYS V NZ +23263 N N . ASP P 111 ? 0.9307 0.6731 0.6477 0.0029 -0.0186 -0.0466 111 ASP V N +23264 C CA . ASP P 111 ? 0.8642 0.6141 0.5906 0.0018 -0.0179 -0.0443 111 ASP V CA +23265 C C . ASP P 111 ? 0.9090 0.6632 0.6365 0.0010 -0.0183 -0.0427 111 ASP V C +23266 O O . ASP P 111 ? 0.9016 0.6607 0.6353 -0.0010 -0.0204 -0.0414 111 ASP V O +23267 C CB . ASP P 111 ? 0.8814 0.6334 0.6113 0.0037 -0.0134 -0.0435 111 ASP V CB +23268 C CG . ASP P 111 ? 0.9250 0.6730 0.6545 0.0046 -0.0130 -0.0450 111 ASP V CG +23269 O OD1 . ASP P 111 ? 0.9189 0.6652 0.6497 0.0028 -0.0163 -0.0458 111 ASP V OD1 +23270 O OD2 . ASP P 111 ? 0.9732 0.7197 0.7009 0.0071 -0.0095 -0.0454 111 ASP V OD2 +23271 N N . LEU P 112 ? 0.8577 0.6098 0.5788 0.0027 -0.0163 -0.0427 112 LEU V N +23272 C CA . LEU P 112 ? 0.8485 0.6040 0.5698 0.0022 -0.0165 -0.0410 112 LEU V CA +23273 C C . LEU P 112 ? 0.8556 0.6112 0.5765 0.0001 -0.0216 -0.0414 112 LEU V C +23274 O O . LEU P 112 ? 0.8727 0.6332 0.5980 -0.0011 -0.0227 -0.0398 112 LEU V O +23275 C CB . LEU P 112 ? 0.8245 0.5765 0.5378 0.0043 -0.0137 -0.0412 112 LEU V CB +23276 C CG . LEU P 112 ? 1.0234 0.7755 0.7366 0.0065 -0.0084 -0.0409 112 LEU V CG +23277 C CD1 . LEU P 112 ? 0.9496 0.6991 0.6554 0.0081 -0.0056 -0.0407 112 LEU V CD1 +23278 C CD2 . LEU P 112 ? 0.9398 0.6988 0.6626 0.0060 -0.0060 -0.0390 112 LEU V CD2 +23279 N N . VAL P 113 ? 0.8441 0.5946 0.5600 -0.0003 -0.0246 -0.0436 113 VAL V N +23280 C CA . VAL P 113 ? 0.8561 0.6070 0.5721 -0.0023 -0.0296 -0.0442 113 VAL V CA +23281 C C . VAL P 113 ? 0.9014 0.6578 0.6269 -0.0047 -0.0315 -0.0433 113 VAL V C +23282 O O . VAL P 113 ? 0.8270 0.5872 0.5558 -0.0063 -0.0343 -0.0425 113 VAL V O +23283 C CB . VAL P 113 ? 0.9515 0.6954 0.6600 -0.0023 -0.0324 -0.0470 113 VAL V CB +23284 C CG1 . VAL P 113 ? 0.8625 0.6075 0.5726 -0.0047 -0.0377 -0.0478 113 VAL V CG1 +23285 C CG2 . VAL P 113 ? 0.7953 0.5338 0.4938 0.0000 -0.0309 -0.0478 113 VAL V CG2 +23286 N N . ALA P 114 ? 0.8398 0.5963 0.5695 -0.0049 -0.0301 -0.0434 114 ALA V N +23287 C CA . ALA P 114 ? 0.7894 0.5505 0.5277 -0.0072 -0.0318 -0.0426 114 ALA V CA +23288 C C . ALA P 114 ? 0.8719 0.6401 0.6172 -0.0074 -0.0302 -0.0400 114 ALA V C +23289 O O . ALA P 114 ? 0.8361 0.6087 0.5865 -0.0094 -0.0328 -0.0392 114 ALA V O +23290 C CB . ALA P 114 ? 0.7249 0.4836 0.4651 -0.0070 -0.0305 -0.0434 114 ALA V CB +23291 N N . ILE P 115 ? 0.8067 0.5761 0.5521 -0.0055 -0.0260 -0.0388 115 ILE V N +23292 C CA . ILE P 115 ? 0.9264 0.7022 0.6777 -0.0058 -0.0244 -0.0364 115 ILE V CA +23293 C C . ILE P 115 ? 0.8211 0.5985 0.5707 -0.0065 -0.0268 -0.0358 115 ILE V C +23294 O O . ILE P 115 ? 0.8763 0.6590 0.6318 -0.0079 -0.0281 -0.0343 115 ILE V O +23295 C CB . ILE P 115 ? 0.8350 0.6115 0.5857 -0.0036 -0.0195 -0.0355 115 ILE V CB +23296 C CG1 . ILE P 115 ? 0.7473 0.5227 0.5002 -0.0026 -0.0173 -0.0360 115 ILE V CG1 +23297 C CG2 . ILE P 115 ? 0.7762 0.5591 0.5327 -0.0040 -0.0181 -0.0330 115 ILE V CG2 +23298 C CD1 . ILE P 115 ? 0.8950 0.6708 0.6469 -0.0003 -0.0125 -0.0355 115 ILE V CD1 +23299 N N . ALA P 116 ? 0.8369 0.6097 0.5781 -0.0053 -0.0272 -0.0368 116 ALA V N +23300 C CA . ALA P 116 ? 0.8247 0.5981 0.5632 -0.0056 -0.0297 -0.0364 116 ALA V CA +23301 C C . ALA P 116 ? 0.8101 0.5858 0.5523 -0.0079 -0.0344 -0.0369 116 ALA V C +23302 O O . ALA P 116 ? 0.8060 0.5860 0.5516 -0.0088 -0.0360 -0.0357 116 ALA V O +23303 C CB . ALA P 116 ? 0.8136 0.5807 0.5417 -0.0040 -0.0297 -0.0379 116 ALA V CB +23304 N N . GLY P 117 ? 0.7912 0.5639 0.5327 -0.0089 -0.0367 -0.0389 117 GLY V N +23305 C CA . GLY P 117 ? 0.7926 0.5675 0.5379 -0.0113 -0.0411 -0.0395 117 GLY V CA +23306 C C . GLY P 117 ? 0.7736 0.5552 0.5287 -0.0130 -0.0410 -0.0378 117 GLY V C +23307 O O . GLY P 117 ? 0.8824 0.6677 0.6413 -0.0146 -0.0440 -0.0375 117 GLY V O +23308 N N . HIS P 118 ? 0.8172 0.6004 0.5766 -0.0125 -0.0376 -0.0367 118 HIS V N +23309 C CA . HIS P 118 ? 0.7816 0.5710 0.5501 -0.0140 -0.0372 -0.0349 118 HIS V CA +23310 C C . HIS P 118 ? 0.8564 0.6506 0.6271 -0.0138 -0.0370 -0.0330 118 HIS V C +23311 O O . HIS P 118 ? 0.8027 0.6014 0.5789 -0.0154 -0.0391 -0.0321 118 HIS V O +23312 C CB . HIS P 118 ? 0.8381 0.6278 0.6098 -0.0131 -0.0335 -0.0341 118 HIS V CB +23313 C CG . HIS P 118 ? 0.9139 0.7099 0.6944 -0.0143 -0.0328 -0.0322 118 HIS V CG +23314 N ND1 . HIS P 118 ? 0.9000 0.6985 0.6860 -0.0166 -0.0354 -0.0322 118 HIS V ND1 +23315 C CD2 . HIS P 118 ? 0.8436 0.6437 0.6282 -0.0135 -0.0298 -0.0302 118 HIS V CD2 +23316 C CE1 . HIS P 118 ? 0.9408 0.7445 0.7336 -0.0170 -0.0340 -0.0303 118 HIS V CE1 +23317 N NE2 . HIS P 118 ? 0.8565 0.6613 0.6487 -0.0152 -0.0307 -0.0291 118 HIS V NE2 +23318 N N . ILE P 119 ? 0.7883 0.5811 0.5545 -0.0118 -0.0344 -0.0323 119 ILE V N +23319 C CA . ILE P 119 ? 0.8121 0.6087 0.5797 -0.0114 -0.0337 -0.0304 119 ILE V CA +23320 C C . ILE P 119 ? 0.8510 0.6482 0.6170 -0.0122 -0.0378 -0.0308 119 ILE V C +23321 O O . ILE P 119 ? 0.8001 0.6020 0.5704 -0.0129 -0.0388 -0.0294 119 ILE V O +23322 C CB . ILE P 119 ? 0.8567 0.6508 0.6189 -0.0092 -0.0300 -0.0298 119 ILE V CB +23323 C CG1 . ILE P 119 ? 0.8008 0.5961 0.5665 -0.0085 -0.0258 -0.0291 119 ILE V CG1 +23324 C CG2 . ILE P 119 ? 0.7313 0.5277 0.4926 -0.0088 -0.0298 -0.0282 119 ILE V CG2 +23325 C CD1 . ILE P 119 ? 0.8170 0.6097 0.5775 -0.0064 -0.0218 -0.0288 119 ILE V CD1 +23326 N N . LEU P 120 ? 0.8096 0.6021 0.5693 -0.0121 -0.0405 -0.0329 120 LEU V N +23327 C CA . LEU P 120 ? 0.8554 0.6486 0.6134 -0.0127 -0.0446 -0.0335 120 LEU V CA +23328 C C . LEU P 120 ? 0.8246 0.6216 0.5893 -0.0151 -0.0482 -0.0340 120 LEU V C +23329 O O . LEU P 120 ? 0.9233 0.7236 0.6899 -0.0158 -0.0510 -0.0337 120 LEU V O +23330 C CB . LEU P 120 ? 0.8033 0.5901 0.5518 -0.0115 -0.0462 -0.0355 120 LEU V CB +23331 C CG . LEU P 120 ? 0.8536 0.6367 0.5946 -0.0091 -0.0432 -0.0348 120 LEU V CG +23332 C CD1 . LEU P 120 ? 0.9754 0.7518 0.7065 -0.0078 -0.0448 -0.0369 120 LEU V CD1 +23333 C CD2 . LEU P 120 ? 0.7519 0.5385 0.4941 -0.0086 -0.0432 -0.0329 120 LEU V CD2 +23334 N N . VAL P 121 ? 0.8206 0.6173 0.5888 -0.0165 -0.0479 -0.0348 121 VAL V N +23335 C CA . VAL P 121 ? 0.9262 0.7261 0.7006 -0.0190 -0.0511 -0.0354 121 VAL V CA +23336 C C . VAL P 121 ? 0.9638 0.7702 0.7469 -0.0201 -0.0500 -0.0333 121 VAL V C +23337 O O . VAL P 121 ? 0.8507 0.6614 0.6386 -0.0218 -0.0527 -0.0331 121 VAL V O +23338 C CB . VAL P 121 ? 0.8389 0.6348 0.6124 -0.0201 -0.0514 -0.0372 121 VAL V CB +23339 C CG1 . VAL P 121 ? 0.8007 0.6002 0.5816 -0.0230 -0.0535 -0.0374 121 VAL V CG1 +23340 C CG2 . VAL P 121 ? 0.8555 0.6454 0.6207 -0.0195 -0.0536 -0.0396 121 VAL V CG2 +23341 N N . GLU P 122 ? 0.7758 0.5831 0.5613 -0.0193 -0.0461 -0.0317 122 GLU V N +23342 C CA . GLU P 122 ? 0.8123 0.6255 0.6061 -0.0203 -0.0450 -0.0298 122 GLU V CA +23343 C C . GLU P 122 ? 0.7578 0.5760 0.5547 -0.0207 -0.0467 -0.0286 122 GLU V C +23344 O O . GLU P 122 ? 0.8216 0.6443 0.6252 -0.0225 -0.0480 -0.0280 122 GLU V O +23345 C CB . GLU P 122 ? 0.8179 0.6313 0.6127 -0.0189 -0.0406 -0.0283 122 GLU V CB +23346 C CG . GLU P 122 ? 0.9184 0.7357 0.7212 -0.0201 -0.0394 -0.0272 122 GLU V CG +23347 C CD . GLU P 122 ? 0.8980 0.7129 0.7019 -0.0216 -0.0406 -0.0286 122 GLU V CD +23348 O OE1 . GLU P 122 ? 0.8603 0.6702 0.6587 -0.0214 -0.0418 -0.0305 122 GLU V OE1 +23349 O OE2 . GLU P 122 ? 1.0341 0.8518 0.8441 -0.0229 -0.0402 -0.0278 122 GLU V OE2 +23350 N N . PRO P 123 ? 0.7906 0.6083 0.5831 -0.0191 -0.0467 -0.0281 123 PRO V N +23351 C CA . PRO P 123 ? 0.8179 0.6402 0.6135 -0.0194 -0.0486 -0.0270 123 PRO V CA +23352 C C . PRO P 123 ? 0.9000 0.7241 0.6976 -0.0211 -0.0531 -0.0284 123 PRO V C +23353 O O . PRO P 123 ? 0.7909 0.6201 0.5941 -0.0221 -0.0545 -0.0275 123 PRO V O +23354 C CB . PRO P 123 ? 0.8061 0.6258 0.5947 -0.0172 -0.0478 -0.0265 123 PRO V CB +23355 C CG . PRO P 123 ? 0.8331 0.6466 0.6145 -0.0160 -0.0466 -0.0279 123 PRO V CG +23356 C CD . PRO P 123 ? 0.8559 0.6689 0.6408 -0.0169 -0.0446 -0.0282 123 PRO V CD +23357 N N . LYS P 124 ? 0.8495 0.6695 0.6428 -0.0216 -0.0553 -0.0306 124 LYS V N +23358 C CA . LYS P 124 ? 0.8275 0.6494 0.6231 -0.0234 -0.0595 -0.0322 124 LYS V CA +23359 C C . LYS P 124 ? 0.7935 0.6193 0.5973 -0.0259 -0.0596 -0.0319 124 LYS V C +23360 O O . LYS P 124 ? 0.9155 0.7452 0.7237 -0.0276 -0.0626 -0.0325 124 LYS V O +23361 C CB . LYS P 124 ? 0.8487 0.6650 0.6378 -0.0235 -0.0616 -0.0347 124 LYS V CB +23362 C CG . LYS P 124 ? 0.9350 0.7470 0.7152 -0.0210 -0.0620 -0.0352 124 LYS V CG +23363 C CD . LYS P 124 ? 0.9516 0.7575 0.7249 -0.0209 -0.0637 -0.0378 124 LYS V CD +23364 C CE . LYS P 124 ? 1.0229 0.8301 0.7965 -0.0223 -0.0688 -0.0397 124 LYS V CE +23365 N NZ . LYS P 124 ? 0.9209 0.7221 0.6876 -0.0223 -0.0708 -0.0423 124 LYS V NZ +23366 N N . ILE P 125 ? 0.8782 0.7032 0.6842 -0.0261 -0.0564 -0.0311 125 ILE V N +23367 C CA . ILE P 125 ? 0.8902 0.7183 0.7036 -0.0283 -0.0561 -0.0306 125 ILE V CA +23368 C C . ILE P 125 ? 0.9219 0.7559 0.7413 -0.0281 -0.0546 -0.0283 125 ILE V C +23369 O O . ILE P 125 ? 0.8826 0.7213 0.7076 -0.0297 -0.0564 -0.0279 125 ILE V O +23370 C CB . ILE P 125 ? 0.9365 0.7605 0.7489 -0.0283 -0.0535 -0.0310 125 ILE V CB +23371 C CG1 . ILE P 125 ? 0.8104 0.6284 0.6165 -0.0284 -0.0551 -0.0334 125 ILE V CG1 +23372 C CG2 . ILE P 125 ? 0.8433 0.6703 0.6630 -0.0304 -0.0529 -0.0302 125 ILE V CG2 +23373 C CD1 . ILE P 125 ? 0.8111 0.6243 0.6150 -0.0279 -0.0525 -0.0338 125 ILE V CD1 +23374 N N . LEU P 126 ? 0.8543 0.6878 0.6724 -0.0262 -0.0513 -0.0267 126 LEU V N +23375 C CA . LEU P 126 ? 0.8346 0.6729 0.6582 -0.0261 -0.0492 -0.0244 126 LEU V CA +23376 C C . LEU P 126 ? 0.8137 0.6555 0.6378 -0.0253 -0.0502 -0.0233 126 LEU V C +23377 O O . LEU P 126 ? 0.8367 0.6827 0.6658 -0.0255 -0.0490 -0.0216 126 LEU V O +23378 C CB . LEU P 126 ? 0.6961 0.5324 0.5183 -0.0245 -0.0451 -0.0233 126 LEU V CB +23379 C CG . LEU P 126 ? 0.8692 0.7029 0.6922 -0.0250 -0.0434 -0.0238 126 LEU V CG +23380 C CD1 . LEU P 126 ? 0.8732 0.7060 0.6954 -0.0232 -0.0394 -0.0227 126 LEU V CD1 +23381 C CD2 . LEU P 126 ? 0.7798 0.6167 0.6097 -0.0272 -0.0443 -0.0235 126 LEU V CD2 +23382 N N . GLY P 127 ? 0.8321 0.6720 0.6510 -0.0244 -0.0524 -0.0243 127 GLY V N +23383 C CA . GLY P 127 ? 0.8035 0.6463 0.6223 -0.0233 -0.0533 -0.0232 127 GLY V CA +23384 C C . GLY P 127 ? 0.9743 0.8174 0.7927 -0.0218 -0.0497 -0.0211 127 GLY V C +23385 O O . GLY P 127 ? 0.8647 0.7041 0.6790 -0.0206 -0.0469 -0.0210 127 GLY V O +23386 N N . ASP P 128 ? 0.8087 0.6565 0.6318 -0.0219 -0.0496 -0.0195 128 ASP V N +23387 C CA . ASP P 128 ? 0.8707 0.7193 0.6939 -0.0206 -0.0464 -0.0175 128 ASP V CA +23388 C C . ASP P 128 ? 0.9090 0.7573 0.7346 -0.0209 -0.0428 -0.0168 128 ASP V C +23389 O O . ASP P 128 ? 0.8075 0.6553 0.6318 -0.0197 -0.0399 -0.0155 128 ASP V O +23390 C CB . ASP P 128 ? 0.9337 0.7876 0.7621 -0.0210 -0.0473 -0.0161 128 ASP V CB +23391 C CG . ASP P 128 ? 1.0961 0.9503 0.9216 -0.0201 -0.0503 -0.0165 128 ASP V CG +23392 O OD1 . ASP P 128 ? 1.2694 1.1192 1.0876 -0.0186 -0.0507 -0.0171 128 ASP V OD1 +23393 O OD2 . ASP P 128 ? 1.4867 1.3453 1.3168 -0.0208 -0.0523 -0.0162 128 ASP V OD2 +23394 N N . LYS P 129 ? 0.8091 0.6578 0.6383 -0.0223 -0.0430 -0.0175 129 LYS V N +23395 C CA . LYS P 129 ? 0.9438 0.7922 0.7752 -0.0222 -0.0397 -0.0168 129 LYS V CA +23396 C C . LYS P 129 ? 0.9223 0.7660 0.7475 -0.0206 -0.0373 -0.0172 129 LYS V C +23397 O O . LYS P 129 ? 0.9119 0.7558 0.7380 -0.0198 -0.0341 -0.0162 129 LYS V O +23398 C CB . LYS P 129 ? 0.8219 0.6706 0.6572 -0.0239 -0.0404 -0.0176 129 LYS V CB +23399 C CG . LYS P 129 ? 0.7876 0.6412 0.6297 -0.0257 -0.0419 -0.0169 129 LYS V CG +23400 C CD . LYS P 129 ? 0.8058 0.6589 0.6512 -0.0272 -0.0418 -0.0175 129 LYS V CD +23401 C CE . LYS P 129 ? 0.9501 0.8081 0.8027 -0.0285 -0.0414 -0.0162 129 LYS V CE +23402 N NZ . LYS P 129 ? 1.0124 0.8740 0.8681 -0.0299 -0.0443 -0.0163 129 LYS V NZ +23403 N N . TRP P 130 ? 0.7872 0.6266 0.6061 -0.0200 -0.0389 -0.0188 130 TRP V N +23404 C CA . TRP P 130 ? 0.7907 0.6252 0.6032 -0.0184 -0.0366 -0.0194 130 TRP V CA +23405 C C . TRP P 130 ? 0.7458 0.5802 0.5550 -0.0169 -0.0348 -0.0181 130 TRP V C +23406 O O . TRP P 130 ? 0.8115 0.6456 0.6178 -0.0165 -0.0368 -0.0181 130 TRP V O +23407 C CB . TRP P 130 ? 0.8292 0.6591 0.6358 -0.0183 -0.0389 -0.0215 130 TRP V CB +23408 C CG . TRP P 130 ? 0.8025 0.6271 0.6022 -0.0166 -0.0367 -0.0222 130 TRP V CG +23409 C CD1 . TRP P 130 ? 0.7534 0.5745 0.5459 -0.0151 -0.0366 -0.0226 130 TRP V CD1 +23410 C CD2 . TRP P 130 ? 0.7139 0.5361 0.5132 -0.0161 -0.0340 -0.0227 130 TRP V CD2 +23411 N NE1 . TRP P 130 ? 0.8370 0.6537 0.6246 -0.0138 -0.0340 -0.0233 130 TRP V NE1 +23412 C CE2 . TRP P 130 ? 0.8034 0.6208 0.5952 -0.0143 -0.0324 -0.0234 130 TRP V CE2 +23413 C CE3 . TRP P 130 ? 0.7130 0.5365 0.5174 -0.0169 -0.0329 -0.0227 130 TRP V CE3 +23414 C CZ2 . TRP P 130 ? 0.8037 0.6179 0.5931 -0.0133 -0.0296 -0.0241 130 TRP V CZ2 +23415 C CZ3 . TRP P 130 ? 0.7680 0.5882 0.5699 -0.0158 -0.0302 -0.0233 130 TRP V CZ3 +23416 C CH2 . TRP P 130 ? 0.7891 0.6048 0.5838 -0.0140 -0.0286 -0.0241 130 TRP V CH2 +23417 N N . GLY P 131 ? 0.8396 0.6738 0.6490 -0.0160 -0.0310 -0.0171 131 GLY V N +23418 C CA . GLY P 131 ? 0.7190 0.5533 0.5260 -0.0149 -0.0288 -0.0157 131 GLY V CA +23419 C C . GLY P 131 ? 0.6667 0.5058 0.4788 -0.0155 -0.0290 -0.0140 131 GLY V C +23420 O O . GLY P 131 ? 0.7918 0.6309 0.6019 -0.0147 -0.0273 -0.0128 131 GLY V O +23421 N N . GLY P 132 ? 0.7715 0.6146 0.5900 -0.0169 -0.0309 -0.0138 132 GLY V N +23422 C CA . GLY P 132 ? 0.7487 0.5963 0.5720 -0.0174 -0.0312 -0.0122 132 GLY V CA +23423 C C . GLY P 132 ? 0.7834 0.6342 0.6119 -0.0177 -0.0281 -0.0108 132 GLY V C +23424 O O . GLY P 132 ? 0.7333 0.5869 0.5642 -0.0177 -0.0276 -0.0093 132 GLY V O +23425 N N . GLY P 133 ? 0.7493 0.5994 0.5792 -0.0177 -0.0262 -0.0112 133 GLY V N +23426 C CA . GLY P 133 ? 0.7442 0.5975 0.5792 -0.0179 -0.0234 -0.0100 133 GLY V CA +23427 C C . GLY P 133 ? 0.7560 0.6138 0.5982 -0.0192 -0.0247 -0.0093 133 GLY V C +23428 O O . GLY P 133 ? 0.7022 0.5607 0.5459 -0.0202 -0.0275 -0.0099 133 GLY V O +23429 N N A LYS P 134 ? 0.7140 0.5749 0.5606 -0.0193 -0.0225 -0.0080 134 LYS V N +23430 N N B LYS P 134 ? 0.7141 0.5750 0.5607 -0.0193 -0.0225 -0.0080 134 LYS V N +23431 C CA A LYS P 134 ? 0.6567 0.5215 0.5099 -0.0204 -0.0231 -0.0073 134 LYS V CA +23432 C CA B LYS P 134 ? 0.6559 0.5207 0.5091 -0.0204 -0.0230 -0.0073 134 LYS V CA +23433 C C A LYS P 134 ? 0.6582 0.5256 0.5138 -0.0214 -0.0259 -0.0069 134 LYS V C +23434 C C B LYS P 134 ? 0.6577 0.5251 0.5133 -0.0214 -0.0258 -0.0069 134 LYS V C +23435 O O A LYS P 134 ? 0.6869 0.5567 0.5471 -0.0226 -0.0271 -0.0068 134 LYS V O +23436 O O B LYS P 134 ? 0.6888 0.5585 0.5489 -0.0226 -0.0271 -0.0068 134 LYS V O +23437 C CB A LYS P 134 ? 0.6829 0.5505 0.5398 -0.0202 -0.0203 -0.0061 134 LYS V CB +23438 C CB B LYS P 134 ? 0.6834 0.5510 0.5403 -0.0201 -0.0202 -0.0060 134 LYS V CB +23439 C CG A LYS P 134 ? 0.7329 0.6023 0.5897 -0.0200 -0.0195 -0.0048 134 LYS V CG +23440 C CG B LYS P 134 ? 0.7326 0.6019 0.5893 -0.0200 -0.0195 -0.0047 134 LYS V CG +23441 C CD A LYS P 134 ? 0.6927 0.5649 0.5534 -0.0199 -0.0167 -0.0036 134 LYS V CD +23442 C CD B LYS P 134 ? 0.6916 0.5640 0.5524 -0.0200 -0.0168 -0.0036 134 LYS V CD +23443 C CE A LYS P 134 ? 0.7597 0.6300 0.6179 -0.0189 -0.0137 -0.0040 134 LYS V CE +23444 C CE B LYS P 134 ? 0.7604 0.6310 0.6191 -0.0190 -0.0137 -0.0040 134 LYS V CE +23445 N NZ A LYS P 134 ? 0.7164 0.5901 0.5792 -0.0189 -0.0111 -0.0031 134 LYS V NZ +23446 N NZ B LYS P 134 ? 0.7157 0.5896 0.5787 -0.0190 -0.0113 -0.0030 134 LYS V NZ +23447 N N . VAL P 135 ? 0.6158 0.4828 0.4684 -0.0210 -0.0267 -0.0066 135 VAL V N +23448 C CA . VAL P 135 ? 0.6430 0.5127 0.4979 -0.0217 -0.0294 -0.0062 135 VAL V CA +23449 C C . VAL P 135 ? 0.7555 0.6250 0.6114 -0.0228 -0.0323 -0.0075 135 VAL V C +23450 O O . VAL P 135 ? 0.7184 0.5914 0.5788 -0.0239 -0.0340 -0.0073 135 VAL V O +23451 C CB . VAL P 135 ? 0.7791 0.6476 0.6296 -0.0207 -0.0301 -0.0058 135 VAL V CB +23452 C CG1 . VAL P 135 ? 0.6946 0.5653 0.5465 -0.0212 -0.0334 -0.0060 135 VAL V CG1 +23453 C CG2 . VAL P 135 ? 0.6677 0.5373 0.5186 -0.0202 -0.0275 -0.0043 135 VAL V CG2 +23454 N N . TYR P 136 ? 0.6285 0.4943 0.4805 -0.0226 -0.0327 -0.0090 136 TYR V N +23455 C CA . TYR P 136 ? 0.6516 0.5167 0.5038 -0.0237 -0.0355 -0.0104 136 TYR V CA +23456 C C . TYR P 136 ? 0.7188 0.5833 0.5737 -0.0246 -0.0348 -0.0110 136 TYR V C +23457 O O . TYR P 136 ? 0.7970 0.6604 0.6519 -0.0257 -0.0369 -0.0123 136 TYR V O +23458 C CB . TYR P 136 ? 0.6656 0.5265 0.5111 -0.0229 -0.0370 -0.0119 136 TYR V CB +23459 C CG . TYR P 136 ? 0.7887 0.6502 0.6317 -0.0220 -0.0382 -0.0114 136 TYR V CG +23460 C CD1 . TYR P 136 ? 0.7955 0.6601 0.6410 -0.0227 -0.0412 -0.0115 136 TYR V CD1 +23461 C CD2 . TYR P 136 ? 0.7411 0.6004 0.5796 -0.0205 -0.0361 -0.0107 136 TYR V CD2 +23462 C CE1 . TYR P 136 ? 0.8934 0.7585 0.7366 -0.0216 -0.0423 -0.0109 136 TYR V CE1 +23463 C CE2 . TYR P 136 ? 0.8218 0.6812 0.6576 -0.0196 -0.0371 -0.0100 136 TYR V CE2 +23464 C CZ . TYR P 136 ? 0.9723 0.8346 0.8105 -0.0200 -0.0403 -0.0102 136 TYR V CZ +23465 O OH . TYR P 136 ? 0.9696 0.8318 0.8049 -0.0189 -0.0413 -0.0096 136 TYR V OH +23466 N N A TYR P 137 ? 0.6775 0.5424 0.5344 -0.0242 -0.0320 -0.0102 137 TYR V N +23467 N N B TYR P 137 ? 0.6767 0.5417 0.5337 -0.0242 -0.0320 -0.0101 137 TYR V N +23468 C CA A TYR P 137 ? 0.7466 0.6106 0.6057 -0.0248 -0.0313 -0.0106 137 TYR V CA +23469 C CA B TYR P 137 ? 0.7485 0.6126 0.6077 -0.0248 -0.0313 -0.0105 137 TYR V CA +23470 C C A TYR P 137 ? 0.7383 0.6047 0.6022 -0.0267 -0.0332 -0.0106 137 TYR V C +23471 C C B TYR P 137 ? 0.7384 0.6051 0.6025 -0.0267 -0.0332 -0.0105 137 TYR V C +23472 O O A TYR P 137 ? 0.7358 0.6004 0.6002 -0.0276 -0.0338 -0.0115 137 TYR V O +23473 O O B TYR P 137 ? 0.7370 0.6020 0.6019 -0.0276 -0.0338 -0.0113 137 TYR V O +23474 C CB A TYR P 137 ? 0.6740 0.5391 0.5354 -0.0239 -0.0282 -0.0095 137 TYR V CB +23475 C CB B TYR P 137 ? 0.6742 0.5394 0.5356 -0.0239 -0.0282 -0.0095 137 TYR V CB +23476 C CG A TYR P 137 ? 0.6983 0.5603 0.5552 -0.0223 -0.0259 -0.0099 137 TYR V CG +23477 C CG B TYR P 137 ? 0.6990 0.5611 0.5559 -0.0223 -0.0259 -0.0099 137 TYR V CG +23478 C CD1 A TYR P 137 ? 0.6894 0.5477 0.5403 -0.0216 -0.0266 -0.0110 137 TYR V CD1 +23479 C CD1 B TYR P 137 ? 0.6885 0.5468 0.5394 -0.0216 -0.0266 -0.0110 137 TYR V CD1 +23480 C CD2 A TYR P 137 ? 0.6616 0.5246 0.5203 -0.0214 -0.0230 -0.0092 137 TYR V CD2 +23481 C CD2 B TYR P 137 ? 0.6609 0.5238 0.5195 -0.0213 -0.0230 -0.0092 137 TYR V CD2 +23482 C CE1 A TYR P 137 ? 0.7025 0.5579 0.5492 -0.0201 -0.0243 -0.0114 137 TYR V CE1 +23483 C CE1 B TYR P 137 ? 0.7022 0.5576 0.5489 -0.0201 -0.0243 -0.0114 137 TYR V CE1 +23484 C CE2 A TYR P 137 ? 0.7113 0.5718 0.5662 -0.0199 -0.0208 -0.0096 137 TYR V CE2 +23485 C CE2 B TYR P 137 ? 0.7105 0.5709 0.5653 -0.0198 -0.0207 -0.0096 137 TYR V CE2 +23486 C CZ A TYR P 137 ? 0.7789 0.6354 0.6277 -0.0193 -0.0213 -0.0107 137 TYR V CZ +23487 C CZ B TYR P 137 ? 0.7806 0.6371 0.6293 -0.0192 -0.0213 -0.0107 137 TYR V CZ +23488 O OH A TYR P 137 ? 0.7690 0.6231 0.6139 -0.0178 -0.0189 -0.0112 137 TYR V OH +23489 O OH B TYR P 137 ? 0.7695 0.6235 0.6142 -0.0178 -0.0188 -0.0112 137 TYR V OH +23490 O OXT A TYR P 137 ? 0.7000 0.5703 0.5675 -0.0273 -0.0341 -0.0096 137 TYR V OXT +23491 O OXT B TYR P 137 ? 0.7000 0.5705 0.5674 -0.0273 -0.0341 -0.0096 137 TYR V OXT +23492 N N . THR Q 1 ? 1.6849 1.7486 1.7749 -0.1246 -0.0350 -0.0323 2 THR X N +23493 C CA . THR Q 1 ? 1.2113 1.2711 1.2986 -0.1261 -0.0385 -0.0341 2 THR X CA +23494 C C . THR Q 1 ? 1.2443 1.2914 1.3221 -0.1262 -0.0373 -0.0322 2 THR X C +23495 O O . THR Q 1 ? 1.2909 1.3328 1.3629 -0.1227 -0.0359 -0.0296 2 THR X O +23496 C CB . THR Q 1 ? 1.1813 1.2451 1.2687 -0.1217 -0.0434 -0.0356 2 THR X CB +23497 O OG1 . THR Q 1 ? 1.4260 1.5017 1.5221 -0.1208 -0.0443 -0.0371 2 THR X OG1 +23498 C CG2 . THR Q 1 ? 1.2216 1.2829 1.3076 -0.1237 -0.0471 -0.0380 2 THR X CG2 +23499 N N . ILE Q 2 ? 1.0604 1.1026 1.1365 -0.1303 -0.0379 -0.0336 3 ILE X N +23500 C CA . ILE Q 2 ? 1.0243 1.0543 1.0914 -0.1306 -0.0370 -0.0320 3 ILE X CA +23501 C C . ILE Q 2 ? 1.0122 1.0392 1.0744 -0.1270 -0.0413 -0.0328 3 ILE X C +23502 O O . ILE Q 2 ? 1.0141 1.0410 1.0768 -0.1289 -0.0443 -0.0352 3 ILE X O +23503 C CB . ILE Q 2 ? 0.9905 1.0161 1.0577 -0.1366 -0.0352 -0.0329 3 ILE X CB +23504 C CG1 . ILE Q 2 ? 0.9525 0.9840 1.0267 -0.1405 -0.0315 -0.0329 3 ILE X CG1 +23505 C CG2 . ILE Q 2 ? 1.0930 1.1060 1.1510 -0.1366 -0.0332 -0.0306 3 ILE X CG2 +23506 C CD1 . ILE Q 2 ? 1.2035 1.2342 1.2762 -0.1382 -0.0278 -0.0299 3 ILE X CD1 +23507 N N . THR Q 3 ? 0.9012 0.9253 0.9583 -0.1219 -0.0416 -0.0307 4 THR X N +23508 C CA . THR Q 3 ? 0.9810 1.0014 1.0327 -0.1182 -0.0452 -0.0311 4 THR X CA +23509 C C . THR Q 3 ? 0.6957 0.7051 0.7398 -0.1197 -0.0448 -0.0306 4 THR X C +23510 O O . THR Q 3 ? 0.8190 0.8232 0.8616 -0.1228 -0.0414 -0.0294 4 THR X O +23511 C CB . THR Q 3 ? 0.9138 0.9344 0.9625 -0.1125 -0.0451 -0.0289 4 THR X CB +23512 O OG1 . THR Q 3 ? 0.9153 0.9297 0.9597 -0.1121 -0.0413 -0.0260 4 THR X OG1 +23513 C CG2 . THR Q 3 ? 0.8034 0.8348 0.8594 -0.1109 -0.0456 -0.0295 4 THR X CG2 +23514 N N . PRO Q 4 ? 0.7878 0.7933 0.8272 -0.1177 -0.0481 -0.0315 5 PRO X N +23515 C CA . PRO Q 4 ? 0.7940 0.7885 0.8257 -0.1186 -0.0475 -0.0309 5 PRO X CA +23516 C C . PRO Q 4 ? 0.7956 0.7832 0.8218 -0.1168 -0.0440 -0.0277 5 PRO X C +23517 O O . PRO Q 4 ? 0.8831 0.8633 0.9056 -0.1193 -0.0417 -0.0268 5 PRO X O +23518 C CB . PRO Q 4 ? 0.8733 0.8660 0.9008 -0.1154 -0.0516 -0.0321 5 PRO X CB +23519 C CG . PRO Q 4 ? 0.8139 0.8168 0.8482 -0.1149 -0.0548 -0.0344 5 PRO X CG +23520 C CD . PRO Q 4 ? 0.8277 0.8383 0.8684 -0.1147 -0.0525 -0.0334 5 PRO X CD +23521 N N . SER Q 5 ? 0.7874 0.7773 0.8129 -0.1124 -0.0435 -0.0258 6 SER X N +23522 C CA . SER Q 5 ? 0.8614 0.8447 0.8815 -0.1106 -0.0404 -0.0229 6 SER X CA +23523 C C . SER Q 5 ? 0.7313 0.7149 0.7542 -0.1137 -0.0364 -0.0215 6 SER X C +23524 O O . SER Q 5 ? 0.7689 0.7449 0.7868 -0.1141 -0.0337 -0.0196 6 SER X O +23525 C CB . SER Q 5 ? 0.7905 0.7754 0.8086 -0.1052 -0.0411 -0.0213 6 SER X CB +23526 O OG . SER Q 5 ? 0.8238 0.8173 0.8479 -0.1041 -0.0405 -0.0211 6 SER X OG +23527 N N . LEU Q 6 ? 0.7031 0.6952 0.7336 -0.1159 -0.0358 -0.0226 7 LEU X N +23528 C CA . LEU Q 6 ? 0.7266 0.7188 0.7596 -0.1192 -0.0317 -0.0214 7 LEU X CA +23529 C C . LEU Q 6 ? 0.9188 0.9045 0.9498 -0.1241 -0.0305 -0.0221 7 LEU X C +23530 O O . LEU Q 6 ? 0.8800 0.8599 0.9081 -0.1258 -0.0271 -0.0204 7 LEU X O +23531 C CB . LEU Q 6 ? 0.7676 0.7708 0.8095 -0.1205 -0.0313 -0.0226 7 LEU X CB +23532 C CG . LEU Q 6 ? 0.8908 0.8958 0.9364 -0.1239 -0.0271 -0.0216 7 LEU X CG +23533 C CD1 . LEU Q 6 ? 0.8482 0.8473 0.8885 -0.1219 -0.0237 -0.0184 7 LEU X CD1 +23534 C CD2 . LEU Q 6 ? 0.7686 0.7854 0.8231 -0.1241 -0.0272 -0.0229 7 LEU X CD2 +23535 N N . LYS Q 7 ? 0.7808 0.7670 0.8130 -0.1262 -0.0334 -0.0247 8 LYS X N +23536 C CA . LYS Q 7 ? 0.8600 0.8388 0.8891 -0.1304 -0.0328 -0.0255 8 LYS X CA +23537 C C . LYS Q 7 ? 0.8098 0.7774 0.8297 -0.1284 -0.0318 -0.0235 8 LYS X C +23538 O O . LYS Q 7 ? 0.8774 0.8378 0.8939 -0.1310 -0.0290 -0.0224 8 LYS X O +23539 C CB . LYS Q 7 ? 0.8039 0.7853 0.8353 -0.1322 -0.0367 -0.0288 8 LYS X CB +23540 C CG . LYS Q 7 ? 1.1152 1.0898 1.1443 -0.1369 -0.0365 -0.0301 8 LYS X CG +23541 C CD . LYS Q 7 ? 1.3557 1.3328 1.3864 -0.1379 -0.0409 -0.0333 8 LYS X CD +23542 C CE . LYS Q 7 ? 1.5996 1.5690 1.6271 -0.1423 -0.0409 -0.0347 8 LYS X CE +23543 N NZ . LYS Q 7 ? 1.7428 1.7142 1.7712 -0.1430 -0.0453 -0.0379 8 LYS X NZ +23544 N N . GLY Q 8 ? 0.8675 0.8332 0.8831 -0.1237 -0.0342 -0.0230 9 GLY X N +23545 C CA . GLY Q 8 ? 0.7488 0.7046 0.7560 -0.1213 -0.0332 -0.0211 9 GLY X CA +23546 C C . GLY Q 8 ? 0.7582 0.7112 0.7635 -0.1204 -0.0294 -0.0182 9 GLY X C +23547 O O . GLY Q 8 ? 0.7502 0.6944 0.7496 -0.1208 -0.0275 -0.0167 9 GLY X O +23548 N N . PHE Q 9 ? 0.7148 0.6750 0.7248 -0.1192 -0.0282 -0.0173 10 PHE X N +23549 C CA . PHE Q 9 ? 0.8734 0.8314 0.8819 -0.1187 -0.0245 -0.0146 10 PHE X CA +23550 C C . PHE Q 9 ? 0.8718 0.8254 0.8801 -0.1235 -0.0214 -0.0144 10 PHE X C +23551 O O . PHE Q 9 ? 0.8192 0.7648 0.8218 -0.1234 -0.0190 -0.0124 10 PHE X O +23552 C CB . PHE Q 9 ? 0.7350 0.7022 0.7492 -0.1169 -0.0239 -0.0141 10 PHE X CB +23553 C CG . PHE Q 9 ? 0.8233 0.7884 0.8357 -0.1158 -0.0203 -0.0114 10 PHE X CG +23554 C CD1 . PHE Q 9 ? 0.9357 0.8972 0.9430 -0.1114 -0.0202 -0.0094 10 PHE X CD1 +23555 C CD2 . PHE Q 9 ? 0.8486 0.8152 0.8641 -0.1194 -0.0170 -0.0109 10 PHE X CD2 +23556 C CE1 . PHE Q 9 ? 0.8986 0.8580 0.9040 -0.1103 -0.0170 -0.0070 10 PHE X CE1 +23557 C CE2 . PHE Q 9 ? 0.8404 0.8048 0.8538 -0.1183 -0.0137 -0.0084 10 PHE X CE2 +23558 C CZ . PHE Q 9 ? 0.9661 0.9269 0.9744 -0.1138 -0.0138 -0.0065 10 PHE X CZ +23559 N N . PHE Q 10 ? 0.9033 0.8616 0.9173 -0.1280 -0.0215 -0.0164 11 PHE X N +23560 C CA . PHE Q 10 ? 0.9913 0.9454 1.0052 -0.1329 -0.0185 -0.0162 11 PHE X CA +23561 C C . PHE Q 10 ? 0.8472 0.7904 0.8540 -0.1341 -0.0187 -0.0162 11 PHE X C +23562 O O . PHE Q 10 ? 0.8654 0.8012 0.8681 -0.1360 -0.0157 -0.0146 11 PHE X O +23563 C CB . PHE Q 10 ? 0.9002 0.8621 0.9222 -0.1375 -0.0187 -0.0186 11 PHE X CB +23564 C CG . PHE Q 10 ? 0.9660 0.9381 0.9952 -0.1370 -0.0175 -0.0184 11 PHE X CG +23565 C CD1 . PHE Q 10 ? 1.0764 1.0476 1.1047 -0.1363 -0.0137 -0.0159 11 PHE X CD1 +23566 C CD2 . PHE Q 10 ? 0.8854 0.8678 0.9219 -0.1369 -0.0201 -0.0207 11 PHE X CD2 +23567 C CE1 . PHE Q 10 ? 0.9615 0.9417 0.9960 -0.1357 -0.0125 -0.0157 11 PHE X CE1 +23568 C CE2 . PHE Q 10 ? 0.8659 0.8575 0.9089 -0.1362 -0.0189 -0.0205 11 PHE X CE2 +23569 C CZ . PHE Q 10 ? 0.9271 0.9176 0.9691 -0.1356 -0.0151 -0.0180 11 PHE X CZ +23570 N N . ILE Q 11 ? 0.8578 0.7993 0.8624 -0.1329 -0.0222 -0.0179 12 ILE X N +23571 C CA . ILE Q 11 ? 0.8041 0.7350 0.8016 -0.1336 -0.0225 -0.0179 12 ILE X CA +23572 C C . ILE Q 11 ? 0.8644 0.7877 0.8547 -0.1299 -0.0207 -0.0150 12 ILE X C +23573 O O . ILE Q 11 ? 0.8914 0.8056 0.8761 -0.1313 -0.0189 -0.0140 12 ILE X O +23574 C CB . ILE Q 11 ? 0.9003 0.8314 0.8969 -0.1325 -0.0267 -0.0202 12 ILE X CB +23575 C CG1 . ILE Q 11 ? 0.9349 0.8729 0.9384 -0.1367 -0.0284 -0.0232 12 ILE X CG1 +23576 C CG2 . ILE Q 11 ? 0.8039 0.7238 0.7925 -0.1324 -0.0269 -0.0201 12 ILE X CG2 +23577 C CD1 . ILE Q 11 ? 1.0576 0.9972 1.0608 -0.1351 -0.0328 -0.0256 12 ILE X CD1 +23578 N N . GLY Q 12 ? 0.8922 0.8190 0.8823 -0.1251 -0.0214 -0.0137 13 GLY X N +23579 C CA . GLY Q 12 ? 0.7632 0.6839 0.7473 -0.1216 -0.0197 -0.0110 13 GLY X CA +23580 C C . GLY Q 12 ? 0.7796 0.6976 0.7631 -0.1237 -0.0157 -0.0091 13 GLY X C +23581 O O . GLY Q 12 ? 0.8241 0.7334 0.8014 -0.1232 -0.0139 -0.0074 13 GLY X O +23582 N N . LEU Q 13 ? 0.7366 0.6620 0.7266 -0.1259 -0.0142 -0.0092 14 LEU X N +23583 C CA . LEU Q 13 ? 0.7791 0.7022 0.7686 -0.1281 -0.0102 -0.0074 14 LEU X CA +23584 C C . LEU Q 13 ? 0.9638 0.8786 0.9499 -0.1325 -0.0085 -0.0077 14 LEU X C +23585 O O . LEU Q 13 ? 0.9172 0.8238 0.8974 -0.1323 -0.0061 -0.0056 14 LEU X O +23586 C CB . LEU Q 13 ? 0.9826 0.9159 0.9802 -0.1299 -0.0090 -0.0079 14 LEU X CB +23587 C CG . LEU Q 13 ? 1.0643 0.9998 1.0623 -0.1279 -0.0062 -0.0056 14 LEU X CG +23588 C CD1 . LEU Q 13 ? 0.9042 0.8396 0.8990 -0.1220 -0.0077 -0.0042 14 LEU X CD1 +23589 C CD2 . LEU Q 13 ? 1.0547 1.0006 1.0611 -0.1298 -0.0054 -0.0066 14 LEU X CD2 +23590 N N A LEU Q 14 ? 0.9027 0.8191 0.8921 -0.1365 -0.0099 -0.0102 15 LEU X N +23591 N N B LEU Q 14 ? 0.9025 0.8189 0.8919 -0.1365 -0.0099 -0.0101 15 LEU X N +23592 C CA A LEU Q 14 ? 0.8389 0.7475 0.8252 -0.1411 -0.0084 -0.0106 15 LEU X CA +23593 C CA B LEU Q 14 ? 0.8378 0.7463 0.8240 -0.1409 -0.0082 -0.0105 15 LEU X CA +23594 C C A LEU Q 14 ? 0.9288 0.8261 0.9062 -0.1389 -0.0089 -0.0097 15 LEU X C +23595 C C B LEU Q 14 ? 0.9279 0.8251 0.9051 -0.1388 -0.0088 -0.0096 15 LEU X C +23596 O O A LEU Q 14 ? 0.9171 0.8058 0.8894 -0.1406 -0.0063 -0.0083 15 LEU X O +23597 O O B LEU Q 14 ? 0.9157 0.8042 0.8877 -0.1403 -0.0062 -0.0081 15 LEU X O +23598 C CB A LEU Q 14 ? 0.9436 0.8566 0.9353 -0.1453 -0.0104 -0.0138 15 LEU X CB +23599 C CB B LEU Q 14 ? 0.9439 0.8567 0.9355 -0.1454 -0.0100 -0.0136 15 LEU X CB +23600 C CG A LEU Q 14 ? 0.9671 0.8727 0.9564 -0.1505 -0.0093 -0.0149 15 LEU X CG +23601 C CG B LEU Q 14 ? 0.8536 0.7760 0.8538 -0.1489 -0.0085 -0.0145 15 LEU X CG +23602 C CD1 A LEU Q 14 ? 0.8143 0.7184 0.8046 -0.1545 -0.0050 -0.0135 15 LEU X CD1 +23603 C CD1 B LEU Q 14 ? 0.9930 0.9204 0.9989 -0.1528 -0.0108 -0.0178 15 LEU X CD1 +23604 C CD2 A LEU Q 14 ? 1.0227 0.9336 1.0174 -0.1537 -0.0122 -0.0182 15 LEU X CD2 +23605 C CD2 B LEU Q 14 ? 1.0132 0.9310 1.0120 -0.1523 -0.0040 -0.0127 15 LEU X CD2 +23606 N N . SER Q 15 ? 0.8612 0.7582 0.8364 -0.1351 -0.0121 -0.0103 16 SER X N +23607 C CA . SER Q 15 ? 0.8159 0.7028 0.7828 -0.1326 -0.0127 -0.0095 16 SER X CA +23608 C C . SER Q 15 ? 0.8627 0.7440 0.8244 -0.1299 -0.0100 -0.0065 16 SER X C +23609 O O . SER Q 15 ? 0.9147 0.7862 0.8699 -0.1302 -0.0087 -0.0055 16 SER X O +23610 C CB . SER Q 15 ? 0.8132 0.7020 0.7791 -0.1286 -0.0163 -0.0106 16 SER X CB +23611 O OG . SER Q 15 ? 0.8874 0.7796 0.8567 -0.1310 -0.0190 -0.0134 16 SER X OG +23612 N N . GLY Q 16 ? 0.8569 0.7442 0.8212 -0.1270 -0.0093 -0.0050 17 GLY X N +23613 C CA . GLY Q 16 ? 0.8152 0.6976 0.7746 -0.1242 -0.0071 -0.0022 17 GLY X CA +23614 C C . GLY Q 16 ? 0.8761 0.7539 0.8340 -0.1277 -0.0034 -0.0009 17 GLY X C +23615 O O . GLY Q 16 ? 0.8703 0.7393 0.8216 -0.1267 -0.0018 0.0009 17 GLY X O +23616 N N . ALA Q 17 ? 0.8942 0.7777 0.8582 -0.1320 -0.0021 -0.0019 18 ALA X N +23617 C CA . ALA Q 17 ? 0.8967 0.7759 0.8595 -0.1359 0.0016 -0.0008 18 ALA X CA +23618 C C . ALA Q 17 ? 0.8220 0.6906 0.7789 -0.1387 0.0020 -0.0011 18 ALA X C +23619 O O . ALA Q 17 ? 0.9662 0.8263 0.9174 -0.1391 0.0046 0.0008 18 ALA X O +23620 C CB . ALA Q 17 ? 0.8493 0.7375 0.8204 -0.1402 0.0027 -0.0021 18 ALA X CB +23621 N N . VAL Q 18 ? 0.8727 0.7413 0.8308 -0.1403 -0.0006 -0.0036 19 VAL X N +23622 C CA . VAL Q 18 ? 0.9076 0.7657 0.8598 -0.1427 -0.0004 -0.0041 19 VAL X CA +23623 C C . VAL Q 18 ? 0.9596 0.8082 0.9032 -0.1384 -0.0005 -0.0022 19 VAL X C +23624 O O . VAL Q 18 ? 0.9709 0.8095 0.9082 -0.1397 0.0015 -0.0011 19 VAL X O +23625 C CB . VAL Q 18 ? 0.9470 0.8074 0.9020 -0.1448 -0.0036 -0.0072 19 VAL X CB +23626 C CG1 . VAL Q 18 ? 0.8180 0.6669 0.7658 -0.1459 -0.0039 -0.0077 19 VAL X CG1 +23627 C CG2 . VAL Q 18 ? 0.9052 0.7733 0.8682 -0.1500 -0.0029 -0.0090 19 VAL X CG2 +23628 N N . VAL Q 19 ? 0.9151 0.7664 0.8580 -0.1331 -0.0028 -0.0019 20 VAL X N +23629 C CA . VAL Q 19 ? 0.9273 0.7703 0.8625 -0.1289 -0.0031 -0.0003 20 VAL X CA +23630 C C . VAL Q 19 ? 1.0377 0.8763 0.9690 -0.1277 0.0001 0.0025 20 VAL X C +23631 O O . VAL Q 19 ? 0.9269 0.7555 0.8511 -0.1271 0.0013 0.0038 20 VAL X O +23632 C CB . VAL Q 19 ? 1.0667 0.9144 1.0026 -0.1238 -0.0061 -0.0007 20 VAL X CB +23633 C CG1 . VAL Q 19 ? 1.0138 0.8543 0.9426 -0.1190 -0.0060 0.0011 20 VAL X CG1 +23634 C CG2 . VAL Q 19 ? 0.8104 0.6596 0.7478 -0.1246 -0.0092 -0.0035 20 VAL X CG2 +23635 N N . LEU Q 20 ? 0.8889 0.7349 0.8248 -0.1274 0.0015 0.0036 21 LEU X N +23636 C CA . LEU Q 20 ? 1.0031 0.8453 0.9355 -0.1265 0.0045 0.0062 21 LEU X CA +23637 C C . LEU Q 20 ? 0.8989 0.7344 0.8289 -0.1314 0.0076 0.0067 21 LEU X C +23638 O O . LEU Q 20 ? 1.0378 0.8648 0.9613 -0.1306 0.0097 0.0088 21 LEU X O +23639 C CB . LEU Q 20 ? 1.0279 0.8797 0.9659 -0.1252 0.0053 0.0071 21 LEU X CB +23640 C CG . LEU Q 20 ? 1.1916 1.0496 1.1315 -0.1202 0.0026 0.0069 21 LEU X CG +23641 C CD1 . LEU Q 20 ? 1.3177 1.1845 1.2626 -0.1191 0.0036 0.0077 21 LEU X CD1 +23642 C CD2 . LEU Q 20 ? 1.0985 0.9491 1.0312 -0.1157 0.0018 0.0083 21 LEU X CD2 +23643 N N . GLY Q 21 ? 0.9797 0.8191 0.9149 -0.1365 0.0080 0.0048 22 GLY X N +23644 C CA . GLY Q 21 ? 0.9145 0.7479 0.8479 -0.1416 0.0111 0.0052 22 GLY X CA +23645 C C . GLY Q 21 ? 1.1447 0.9655 1.0699 -0.1420 0.0111 0.0054 22 GLY X C +23646 O O . GLY Q 21 ? 1.0750 0.8872 0.9941 -0.1427 0.0138 0.0073 22 GLY X O +23647 N N . LEU Q 22 ? 0.9007 0.7199 0.8251 -0.1415 0.0081 0.0034 23 LEU X N +23648 C CA . LEU Q 22 ? 1.1329 0.9402 1.0495 -0.1417 0.0079 0.0034 23 LEU X CA +23649 C C . LEU Q 22 ? 1.0458 0.8456 0.9547 -0.1367 0.0085 0.0060 23 LEU X C +23650 O O . LEU Q 22 ? 1.1093 0.8984 1.0111 -0.1374 0.0103 0.0072 23 LEU X O +23651 C CB . LEU Q 22 ? 0.9569 0.7647 0.8741 -0.1412 0.0043 0.0009 23 LEU X CB +23652 C CG . LEU Q 22 ? 1.2626 1.0770 1.1869 -0.1462 0.0033 -0.0019 23 LEU X CG +23653 C CD1 . LEU Q 22 ? 1.3279 1.1389 1.2503 -0.1462 0.0002 -0.0043 23 LEU X CD1 +23654 C CD2 . LEU Q 22 ? 1.2535 1.0654 1.1788 -0.1523 0.0065 -0.0019 23 LEU X CD2 +23655 N N . THR Q 23 ? 0.9303 0.7356 0.8405 -0.1316 0.0070 0.0067 24 THR X N +23656 C CA . THR Q 23 ? 1.1119 0.9112 1.0155 -0.1265 0.0072 0.0089 24 THR X CA +23657 C C . THR Q 23 ? 0.9723 0.7663 0.8721 -0.1275 0.0107 0.0114 24 THR X C +23658 O O . THR Q 23 ? 0.9800 0.7637 0.8720 -0.1260 0.0117 0.0129 24 THR X O +23659 C CB . THR Q 23 ? 1.0038 0.8116 0.9109 -0.1216 0.0052 0.0092 24 THR X CB +23660 O OG1 . THR Q 23 ? 1.0520 0.8628 0.9610 -0.1203 0.0020 0.0071 24 THR X OG1 +23661 C CG2 . THR Q 23 ? 0.9480 0.7505 0.8489 -0.1166 0.0056 0.0116 24 THR X CG2 +23662 N N . PHE Q 24 ? 0.9378 0.7386 0.8428 -0.1300 0.0128 0.0119 25 PHE X N +23663 C CA . PHE Q 24 ? 1.0091 0.8050 0.9104 -0.1309 0.0163 0.0143 25 PHE X CA +23664 C C . PHE Q 24 ? 1.1043 0.8913 1.0017 -0.1360 0.0187 0.0142 25 PHE X C +23665 O O . PHE Q 24 ? 1.1375 0.9152 1.0279 -0.1357 0.0209 0.0163 25 PHE X O +23666 C CB . PHE Q 24 ? 0.9751 0.7810 0.8829 -0.1317 0.0178 0.0148 25 PHE X CB +23667 C CG . PHE Q 24 ? 0.9753 0.7855 0.8831 -0.1262 0.0168 0.0163 25 PHE X CG +23668 C CD1 . PHE Q 24 ? 1.1542 0.9587 1.0560 -0.1235 0.0186 0.0188 25 PHE X CD1 +23669 C CD2 . PHE Q 24 ? 1.0799 0.8997 0.9935 -0.1236 0.0140 0.0150 25 PHE X CD2 +23670 C CE1 . PHE Q 24 ? 1.1192 0.9277 1.0211 -0.1186 0.0177 0.0200 25 PHE X CE1 +23671 C CE2 . PHE Q 24 ? 1.0790 0.9025 0.9925 -0.1186 0.0132 0.0163 25 PHE X CE2 +23672 C CZ . PHE Q 24 ? 1.0342 0.8521 0.9420 -0.1162 0.0150 0.0187 25 PHE X CZ +23673 N N . ALA Q 25 ? 1.0598 0.8493 0.9616 -0.1407 0.0182 0.0119 26 ALA X N +23674 C CA . ALA Q 25 ? 1.0213 0.8020 0.9195 -0.1457 0.0201 0.0115 26 ALA X CA +23675 C C . ALA Q 25 ? 0.9948 0.7626 0.8832 -0.1432 0.0195 0.0124 26 ALA X C +23676 O O . ALA Q 25 ? 1.0719 0.8297 0.9537 -0.1445 0.0222 0.0140 26 ALA X O +23677 C CB . ALA Q 25 ? 0.9443 0.7301 0.8488 -0.1503 0.0187 0.0085 26 ALA X CB +23678 N N . VAL Q 26 ? 1.0345 0.8022 0.9219 -0.1394 0.0162 0.0113 27 VAL X N +23679 C CA . VAL Q 26 ? 1.0015 0.7572 0.8798 -0.1368 0.0155 0.0119 27 VAL X CA +23680 C C . VAL Q 26 ? 1.0961 0.8464 0.9682 -0.1325 0.0170 0.0149 27 VAL X C +23681 O O . VAL Q 26 ? 1.0676 0.8064 0.9316 -0.1324 0.0184 0.0162 27 VAL X O +23682 C CB . VAL Q 26 ? 0.9709 0.7285 0.8498 -0.1334 0.0117 0.0101 27 VAL X CB +23683 C CG1 . VAL Q 26 ? 1.0860 0.8321 0.9557 -0.1297 0.0110 0.0109 27 VAL X CG1 +23684 C CG2 . VAL Q 26 ? 0.9617 0.7223 0.8452 -0.1379 0.0103 0.0071 27 VAL X CG2 +23685 N N . LEU Q 27 ? 0.9682 0.7265 0.8437 -0.1290 0.0166 0.0160 28 LEU X N +23686 C CA . LEU Q 27 ? 0.9912 0.7450 0.8610 -0.1246 0.0176 0.0186 28 LEU X CA +23687 C C . LEU Q 27 ? 0.9214 0.6692 0.7873 -0.1276 0.0214 0.0206 28 LEU X C +23688 O O . LEU Q 27 ? 0.9490 0.6870 0.8069 -0.1254 0.0225 0.0225 28 LEU X O +23689 C CB . LEU Q 27 ? 0.8393 0.6034 0.7140 -0.1205 0.0163 0.0191 28 LEU X CB +23690 C CG . LEU Q 27 ? 1.0987 0.8668 0.9750 -0.1161 0.0126 0.0178 28 LEU X CG +23691 C CD1 . LEU Q 27 ? 0.8662 0.6441 0.7471 -0.1123 0.0116 0.0184 28 LEU X CD1 +23692 C CD2 . LEU Q 27 ? 0.9304 0.6881 0.7985 -0.1126 0.0116 0.0184 28 LEU X CD2 +23693 N N . ILE Q 28 ? 0.9627 0.7166 0.8345 -0.1323 0.0235 0.0202 29 ILE X N +23694 C CA . ILE Q 28 ? 1.0450 0.7936 0.9135 -0.1355 0.0275 0.0220 29 ILE X CA +23695 C C . ILE Q 28 ? 1.0390 0.7747 0.9003 -0.1385 0.0288 0.0221 29 ILE X C +23696 O O . ILE Q 28 ? 0.9976 0.7233 0.8509 -0.1378 0.0309 0.0243 29 ILE X O +23697 C CB . ILE Q 28 ? 1.1130 0.8715 0.9900 -0.1403 0.0294 0.0212 29 ILE X CB +23698 C CG1 . ILE Q 28 ? 1.0902 0.8596 0.9726 -0.1368 0.0287 0.0219 29 ILE X CG1 +23699 C CG2 . ILE Q 28 ? 1.0160 0.7679 0.8896 -0.1449 0.0337 0.0227 29 ILE X CG2 +23700 C CD1 . ILE Q 28 ? 1.0493 0.8295 0.9406 -0.1407 0.0303 0.0210 29 ILE X CD1 +23701 N N . ALA Q 29 ? 1.0202 0.7558 0.8838 -0.1417 0.0274 0.0197 30 ALA X N +23702 C CA . ALA Q 29 ? 1.0262 0.7494 0.8830 -0.1444 0.0281 0.0194 30 ALA X CA +23703 C C . ALA Q 29 ? 1.0724 0.7844 0.9192 -0.1393 0.0275 0.0212 30 ALA X C +23704 O O . ALA Q 29 ? 1.1113 0.8125 0.9504 -0.1402 0.0301 0.0230 30 ALA X O +23705 C CB . ALA Q 29 ? 0.9673 0.6930 0.8280 -0.1468 0.0256 0.0163 30 ALA X CB +23706 N N . ILE Q 30 ? 1.0364 0.7510 0.8831 -0.1337 0.0242 0.0207 31 ILE X N +23707 C CA . ILE Q 30 ? 1.0174 0.7216 0.8550 -0.1288 0.0232 0.0220 31 ILE X CA +23708 C C . ILE Q 30 ? 1.0342 0.7346 0.8667 -0.1258 0.0252 0.0250 31 ILE X C +23709 O O . ILE Q 30 ? 1.0432 0.7320 0.8667 -0.1240 0.0261 0.0265 31 ILE X O +23710 C CB . ILE Q 30 ? 1.1429 0.8517 0.9824 -0.1237 0.0194 0.0207 31 ILE X CB +23711 C CG1 . ILE Q 30 ? 1.2703 0.9819 1.1141 -0.1266 0.0174 0.0177 31 ILE X CG1 +23712 C CG2 . ILE Q 30 ? 1.0349 0.7336 0.8655 -0.1184 0.0184 0.0219 31 ILE X CG2 +23713 C CD1 . ILE Q 30 ? 1.4051 1.1213 1.2507 -0.1218 0.0138 0.0163 31 ILE X CD1 +23714 N N . SER Q 31 ? 1.1053 0.8153 0.9432 -0.1251 0.0259 0.0258 32 SER X N +23715 C CA . SER Q 31 ? 1.0135 0.7202 0.8467 -0.1225 0.0278 0.0286 32 SER X CA +23716 C C . SER Q 31 ? 1.1024 0.7993 0.9297 -0.1267 0.0316 0.0301 32 SER X C +23717 O O . SER Q 31 ? 0.9465 0.6350 0.7660 -0.1242 0.0330 0.0325 32 SER X O +23718 C CB . SER Q 31 ? 0.9606 0.6797 0.8010 -0.1215 0.0279 0.0290 32 SER X CB +23719 O OG . SER Q 31 ? 1.0264 0.7518 0.8732 -0.1271 0.0302 0.0283 32 SER X OG +23720 N N . GLN Q 32 ? 0.9977 0.6957 0.8287 -0.1331 0.0334 0.0288 33 GLN X N +23721 C CA . GLN Q 32 ? 1.2255 0.9142 1.0512 -0.1378 0.0373 0.0301 33 GLN X CA +23722 C C . GLN Q 32 ? 1.1078 0.7820 0.9241 -0.1377 0.0372 0.0303 33 GLN X C +23723 O O . GLN Q 32 ? 1.2513 0.9148 1.0598 -0.1389 0.0400 0.0323 33 GLN X O +23724 C CB . GLN Q 32 ? 1.1553 0.8506 0.9888 -0.1448 0.0391 0.0284 33 GLN X CB +23725 C CG . GLN Q 32 ? 1.2031 0.9121 1.0456 -0.1453 0.0397 0.0283 33 GLN X CG +23726 C CD . GLN Q 32 ? 1.1953 0.9024 1.0351 -0.1464 0.0436 0.0308 33 GLN X CD +23727 O OE1 . GLN Q 32 ? 1.4600 1.1553 1.2909 -0.1465 0.0458 0.0327 33 GLN X OE1 +23728 N NE2 . GLN Q 32 ? 1.3299 1.0486 1.1774 -0.1471 0.0444 0.0307 33 GLN X NE2 +23729 N N . ILE Q 33 ? 1.1105 0.7836 0.9268 -0.1360 0.0341 0.0284 34 ILE X N +23730 C CA . ILE Q 33 ? 1.1726 0.8318 0.9799 -0.1358 0.0339 0.0285 34 ILE X CA +23731 C C . ILE Q 33 ? 1.2572 0.9088 1.0561 -0.1291 0.0328 0.0305 34 ILE X C +23732 O O . ILE Q 33 ? 1.3930 1.0316 1.1825 -0.1288 0.0345 0.0321 34 ILE X O +23733 C CB . ILE Q 33 ? 1.2896 0.9506 1.1002 -0.1369 0.0310 0.0255 34 ILE X CB +23734 C CG1 . ILE Q 33 ? 1.1981 0.8653 1.0163 -0.1440 0.0322 0.0234 34 ILE X CG1 +23735 C CG2 . ILE Q 33 ? 1.2576 0.9043 1.0587 -0.1358 0.0305 0.0255 34 ILE X CG2 +23736 C CD1 . ILE Q 33 ? 1.3437 1.0133 1.1655 -0.1452 0.0292 0.0204 34 ILE X CD1 +23737 N N . ASP Q 34 ? 1.1494 0.8086 0.9514 -0.1234 0.0301 0.0305 35 ASP X N +23738 C CA . ASP Q 34 ? 1.1767 0.8300 0.9717 -0.1166 0.0285 0.0320 35 ASP X CA +23739 C C . ASP Q 34 ? 1.2391 0.8968 1.0344 -0.1137 0.0294 0.0342 35 ASP X C +23740 O O . ASP Q 34 ? 1.2878 0.9552 1.0882 -0.1099 0.0273 0.0340 35 ASP X O +23741 C CB . ASP Q 34 ? 1.1017 0.7595 0.8994 -0.1123 0.0245 0.0301 35 ASP X CB +23742 C CG . ASP Q 34 ? 1.2995 0.9500 1.0897 -0.1056 0.0228 0.0313 35 ASP X CG +23743 O OD1 . ASP Q 34 ? 1.3951 1.0365 1.1775 -0.1042 0.0245 0.0336 35 ASP X OD1 +23744 O OD2 . ASP Q 34 ? 1.2721 0.9258 1.0639 -0.1017 0.0198 0.0300 35 ASP X OD2 +23745 N N . LYS Q 35 ? 1.2109 0.8615 1.0006 -0.1157 0.0327 0.0364 36 LYS X N +23746 C CA . LYS Q 35 ? 1.0720 0.7255 0.8611 -0.1133 0.0339 0.0386 36 LYS X CA +23747 C C . LYS Q 35 ? 1.2605 0.9067 1.0414 -0.1065 0.0324 0.0403 36 LYS X C +23748 O O . LYS Q 35 ? 1.2742 0.9106 1.0483 -0.1043 0.0313 0.0403 36 LYS X O +23749 C CB . LYS Q 35 ? 1.1158 0.7647 0.9022 -0.1183 0.0383 0.0402 36 LYS X CB +23750 C CG . LYS Q 35 ? 1.1641 0.8208 0.9589 -0.1251 0.0401 0.0385 36 LYS X CG +23751 C CD . LYS Q 35 ? 1.3408 0.9939 1.1330 -0.1292 0.0445 0.0404 36 LYS X CD +23752 C CE . LYS Q 35 ? 1.4036 1.0656 1.2048 -0.1359 0.0465 0.0389 36 LYS X CE +23753 N NZ . LYS Q 35 ? 1.6079 1.2660 1.4099 -0.1407 0.0465 0.0368 36 LYS X NZ +23754 N N . VAL Q 36 ? 1.0352 0.6864 0.8168 -0.1031 0.0324 0.0418 37 VAL X N +23755 C CA . VAL Q 36 ? 1.4137 1.0593 1.1881 -0.0967 0.0309 0.0436 37 VAL X CA +23756 C C . VAL Q 36 ? 1.3151 0.9481 1.0795 -0.0975 0.0340 0.0461 37 VAL X C +23757 O O . VAL Q 36 ? 1.2385 0.8712 1.0033 -0.1023 0.0373 0.0469 37 VAL X O +23758 C CB . VAL Q 36 ? 1.2990 0.9559 1.0790 -0.0928 0.0295 0.0439 37 VAL X CB +23759 C CG1 . VAL Q 36 ? 1.4305 1.0821 1.2033 -0.0863 0.0281 0.0457 37 VAL X CG1 +23760 C CG2 . VAL Q 36 ? 1.1766 0.8453 0.9660 -0.0919 0.0265 0.0414 37 VAL X CG2 +23761 N N . GLN Q 37 ? 1.3225 0.9449 1.0777 -0.0929 0.0329 0.0473 38 GLN X N +23762 C CA . GLN Q 37 ? 1.4576 1.0676 1.2024 -0.0928 0.0354 0.0499 38 GLN X CA +23763 C C . GLN Q 37 ? 1.4354 1.0486 1.1789 -0.0890 0.0355 0.0519 38 GLN X C +23764 O O . GLN Q 37 ? 1.5456 1.1623 1.2893 -0.0830 0.0325 0.0519 38 GLN X O +23765 C CB . GLN Q 37 ? 1.4944 1.0911 1.2295 -0.0892 0.0340 0.0503 38 GLN X CB +23766 C CG . GLN Q 37 ? 1.7547 1.3490 1.4912 -0.0911 0.0328 0.0480 38 GLN X CG +23767 C CD . GLN Q 37 ? 1.9585 1.5493 1.6957 -0.0988 0.0359 0.0474 38 GLN X CD +23768 O OE1 . GLN Q 37 ? 1.9894 1.5903 1.7356 -0.1034 0.0369 0.0462 38 GLN X OE1 +23769 N NE2 . GLN Q 37 ? 2.0621 1.6386 1.7901 -0.1002 0.0374 0.0482 38 GLN X NE2 +23770 N N . ARG Q 38 ? 1.2013 0.8134 0.9434 -0.0924 0.0390 0.0535 39 ARG X N +23771 C CA . ARG Q 38 ? 1.6338 1.2455 1.3718 -0.0889 0.0396 0.0557 39 ARG X CA +23772 C C . ARG Q 38 ? 1.4496 1.0464 1.1756 -0.0894 0.0424 0.0583 39 ARG X C +23773 O O . ARG Q 38 ? 1.7275 1.3198 1.4469 -0.0851 0.0421 0.0602 39 ARG X O +23774 C CB . ARG Q 38 ? 1.2432 0.8670 0.9894 -0.0915 0.0412 0.0557 39 ARG X CB +23775 C CG . ARG Q 38 ? 1.2586 0.8969 1.0152 -0.0893 0.0381 0.0537 39 ARG X CG +23776 C CD . ARG Q 38 ? 1.3031 0.9526 1.0670 -0.0915 0.0397 0.0539 39 ARG X CD +23777 N NE . ARG Q 38 ? 1.3112 0.9740 1.0847 -0.0894 0.0367 0.0520 39 ARG X NE +23778 C CZ . ARG Q 38 ? 1.3003 0.9717 1.0828 -0.0927 0.0361 0.0497 39 ARG X CZ +23779 N NH1 . ARG Q 38 ? 1.0448 0.7137 0.8286 -0.0984 0.0382 0.0489 39 ARG X NH1 +23780 N NH2 . ARG Q 38 ? 1.2567 0.9394 1.0470 -0.0901 0.0333 0.0482 39 ARG X NH2 +23781 N N . VAL R 2 ? 1.7798 1.4808 1.5422 0.0033 -0.0193 -0.0437 18 VAL Y N +23782 C CA . VAL R 2 ? 1.8041 1.5097 1.5722 -0.0003 -0.0207 -0.0417 18 VAL Y CA +23783 C C . VAL R 2 ? 1.7563 1.4558 1.5236 -0.0014 -0.0215 -0.0413 18 VAL Y C +23784 O O . VAL R 2 ? 1.8354 1.5379 1.6070 -0.0008 -0.0209 -0.0394 18 VAL Y O +23785 C CB . VAL R 2 ? 2.1645 1.8725 1.9333 -0.0047 -0.0229 -0.0422 18 VAL Y CB +23786 C CG1 . VAL R 2 ? 1.2325 0.9468 1.0081 -0.0079 -0.0239 -0.0401 18 VAL Y CG1 +23787 C CG2 . VAL R 2 ? 1.8739 1.5862 1.6419 -0.0034 -0.0222 -0.0430 18 VAL Y CG2 +23788 N N . ILE R 3 ? 1.6702 1.3609 1.4316 -0.0032 -0.0228 -0.0430 19 ILE Y N +23789 C CA . ILE R 3 ? 1.8392 1.5221 1.5980 -0.0033 -0.0230 -0.0428 19 ILE Y CA +23790 C C . ILE R 3 ? 1.8285 1.5094 1.5859 0.0021 -0.0208 -0.0426 19 ILE Y C +23791 O O . ILE R 3 ? 1.6058 1.2836 1.3636 0.0030 -0.0205 -0.0415 19 ILE Y O +23792 C CB . ILE R 3 ? 1.8149 1.4881 1.5669 -0.0058 -0.0246 -0.0451 19 ILE Y CB +23793 C CG1 . ILE R 3 ? 1.6872 1.3623 1.4415 -0.0115 -0.0270 -0.0451 19 ILE Y CG1 +23794 C CG2 . ILE R 3 ? 1.5063 1.1699 1.2539 -0.0047 -0.0244 -0.0452 19 ILE Y CG2 +23795 C CD1 . ILE R 3 ? 1.8119 1.4782 1.5599 -0.0143 -0.0288 -0.0475 19 ILE Y CD1 +23796 N N . ALA R 4 ? 1.9461 1.6291 1.7022 0.0057 -0.0193 -0.0435 20 ALA Y N +23797 C CA . ALA R 4 ? 1.8905 1.5728 1.6460 0.0110 -0.0171 -0.0434 20 ALA Y CA +23798 C C . ALA R 4 ? 1.7487 1.4392 1.5115 0.0123 -0.0161 -0.0409 20 ALA Y C +23799 O O . ALA R 4 ? 1.7346 1.4226 1.4975 0.0149 -0.0155 -0.0401 20 ALA Y O +23800 C CB . ALA R 4 ? 1.8681 1.5515 1.6209 0.0142 -0.0155 -0.0450 20 ALA Y CB +23801 N N . GLN R 5 ? 1.6223 1.3221 1.3909 0.0106 -0.0162 -0.0398 21 GLN Y N +23802 C CA . GLN R 5 ? 1.6273 1.3351 1.4030 0.0116 -0.0154 -0.0375 21 GLN Y CA +23803 C C . GLN R 5 ? 1.3939 1.0989 1.1709 0.0096 -0.0165 -0.0360 21 GLN Y C +23804 O O . GLN R 5 ? 1.3545 1.0611 1.1341 0.0122 -0.0157 -0.0346 21 GLN Y O +23805 C CB . GLN R 5 ? 1.5438 1.2612 1.3249 0.0093 -0.0156 -0.0366 21 GLN Y CB +23806 C CG . GLN R 5 ? 1.4363 1.1592 1.2184 0.0122 -0.0136 -0.0371 21 GLN Y CG +23807 C CD . GLN R 5 ? 1.4982 1.2271 1.2827 0.0093 -0.0143 -0.0369 21 GLN Y CD +23808 O OE1 . GLN R 5 ? 1.4767 1.2050 1.2613 0.0052 -0.0163 -0.0368 21 GLN Y OE1 +23809 N NE2 . GLN R 5 ? 1.4109 1.1459 1.1974 0.0114 -0.0125 -0.0369 21 GLN Y NE2 +23810 N N . LEU R 6 ? 1.4357 1.1369 1.2111 0.0051 -0.0184 -0.0362 22 LEU Y N +23811 C CA . LEU R 6 ? 1.5381 1.2364 1.3146 0.0029 -0.0194 -0.0347 22 LEU Y CA +23812 C C . LEU R 6 ? 1.4220 1.1109 1.1932 0.0057 -0.0189 -0.0352 22 LEU Y C +23813 O O . LEU R 6 ? 1.3741 1.0625 1.1471 0.0067 -0.0186 -0.0336 22 LEU Y O +23814 C CB . LEU R 6 ? 1.5227 1.2191 1.2987 -0.0027 -0.0214 -0.0351 22 LEU Y CB +23815 C CG . LEU R 6 ? 1.5489 1.2548 1.3305 -0.0054 -0.0220 -0.0344 22 LEU Y CG +23816 C CD1 . LEU R 6 ? 1.5700 1.2749 1.3525 -0.0109 -0.0240 -0.0343 22 LEU Y CD1 +23817 C CD2 . LEU R 6 ? 1.4555 1.1702 1.2438 -0.0037 -0.0209 -0.0322 22 LEU Y CD2 +23818 N N . THR R 7 ? 1.4182 1.0994 1.1828 0.0070 -0.0188 -0.0373 23 THR Y N +23819 C CA . THR R 7 ? 1.5629 1.2350 1.3221 0.0102 -0.0182 -0.0379 23 THR Y CA +23820 C C . THR R 7 ? 1.4316 1.1074 1.1933 0.0156 -0.0165 -0.0370 23 THR Y C +23821 O O . THR R 7 ? 1.3274 0.9998 1.0886 0.0174 -0.0163 -0.0359 23 THR Y O +23822 C CB . THR R 7 ? 1.5262 1.1901 1.2780 0.0110 -0.0183 -0.0405 23 THR Y CB +23823 O OG1 . THR R 7 ? 1.4783 1.1395 1.2282 0.0059 -0.0201 -0.0415 23 THR Y OG1 +23824 C CG2 . THR R 7 ? 1.2964 0.9499 1.0421 0.0139 -0.0179 -0.0411 23 THR Y CG2 +23825 N N . MET R 8 ? 1.1805 0.8634 0.9449 0.0182 -0.0152 -0.0374 24 MET Y N +23826 C CA . MET R 8 ? 1.3230 1.0104 1.0903 0.0233 -0.0134 -0.0368 24 MET Y CA +23827 C C . MET R 8 ? 1.3633 1.0558 1.1364 0.0230 -0.0137 -0.0343 24 MET Y C +23828 O O . MET R 8 ? 1.0865 0.7761 0.8589 0.0261 -0.0133 -0.0336 24 MET Y O +23829 C CB . MET R 8 ? 1.1950 0.8905 0.9652 0.0252 -0.0120 -0.0374 24 MET Y CB +23830 C CG . MET R 8 ? 1.3897 1.0805 1.1540 0.0265 -0.0113 -0.0399 24 MET Y CG +23831 S SD . MET R 8 ? 1.6173 1.2952 1.3730 0.0298 -0.0111 -0.0417 24 MET Y SD +23832 C CE . MET R 8 ? 1.5822 1.2513 1.3323 0.0241 -0.0134 -0.0427 24 MET Y CE +23833 N N . ILE R 9 ? 1.1314 0.8315 0.9100 0.0194 -0.0144 -0.0330 25 ILE Y N +23834 C CA . ILE R 9 ? 1.4554 1.1609 1.2396 0.0191 -0.0145 -0.0306 25 ILE Y CA +23835 C C . ILE R 9 ? 1.1822 0.8803 0.9637 0.0174 -0.0157 -0.0297 25 ILE Y C +23836 O O . ILE R 9 ? 1.2568 0.9564 1.0409 0.0188 -0.0156 -0.0280 25 ILE Y O +23837 C CB . ILE R 9 ? 1.4690 1.1842 1.2595 0.0156 -0.0149 -0.0295 25 ILE Y CB +23838 C CG1 . ILE R 9 ? 1.3247 1.0467 1.1215 0.0162 -0.0148 -0.0273 25 ILE Y CG1 +23839 C CG2 . ILE R 9 ? 1.3176 1.0301 1.1068 0.0101 -0.0166 -0.0297 25 ILE Y CG2 +23840 C CD1 . ILE R 9 ? 1.1150 0.8419 0.9146 0.0213 -0.0133 -0.0271 25 ILE Y CD1 +23841 N N . ALA R 10 ? 1.3223 1.0118 1.0983 0.0144 -0.0167 -0.0308 26 ALA Y N +23842 C CA . ALA R 10 ? 1.2673 0.9485 1.0398 0.0130 -0.0175 -0.0301 26 ALA Y CA +23843 C C . ALA R 10 ? 1.2297 0.9040 0.9978 0.0181 -0.0167 -0.0304 26 ALA Y C +23844 O O . ALA R 10 ? 1.1293 0.8010 0.8973 0.0190 -0.0169 -0.0288 26 ALA Y O +23845 C CB . ALA R 10 ? 1.2659 0.9397 1.0337 0.0085 -0.0188 -0.0314 26 ALA Y CB +23846 N N . MET R 11 ? 1.2042 0.8755 0.9685 0.0216 -0.0159 -0.0323 27 MET Y N +23847 C CA . MET R 11 ? 1.1336 0.7987 0.8938 0.0268 -0.0151 -0.0327 27 MET Y CA +23848 C C . MET R 11 ? 1.1956 0.8684 0.9612 0.0311 -0.0141 -0.0314 27 MET Y C +23849 O O . MET R 11 ? 1.2127 0.8817 0.9768 0.0340 -0.0141 -0.0305 27 MET Y O +23850 C CB . MET R 11 ? 1.3208 0.9808 1.0755 0.0294 -0.0143 -0.0352 27 MET Y CB +23851 C CG . MET R 11 ? 1.6219 1.2738 1.3709 0.0253 -0.0154 -0.0368 27 MET Y CG +23852 S SD . MET R 11 ? 1.9405 1.5872 1.6832 0.0286 -0.0144 -0.0398 27 MET Y SD +23853 C CE . MET R 11 ? 1.7831 1.4207 1.5204 0.0343 -0.0137 -0.0400 27 MET Y CE +23854 N N . ILE R 12 ? 1.1087 0.7921 0.8802 0.0315 -0.0134 -0.0313 28 ILE Y N +23855 C CA . ILE R 12 ? 1.1329 0.8246 0.9103 0.0351 -0.0125 -0.0300 28 ILE Y CA +23856 C C . ILE R 12 ? 1.0043 0.6983 0.7853 0.0332 -0.0135 -0.0276 28 ILE Y C +23857 O O . ILE R 12 ? 1.0759 0.7709 0.8584 0.0366 -0.0134 -0.0266 28 ILE Y O +23858 C CB . ILE R 12 ? 1.0758 0.7782 0.8588 0.0353 -0.0115 -0.0304 28 ILE Y CB +23859 C CG1 . ILE R 12 ? 1.0967 0.7971 0.8761 0.0380 -0.0102 -0.0328 28 ILE Y CG1 +23860 C CG2 . ILE R 12 ? 1.0445 0.7560 0.8341 0.0382 -0.0108 -0.0291 28 ILE Y CG2 +23861 C CD1 . ILE R 12 ? 1.1548 0.8646 0.9387 0.0372 -0.0091 -0.0332 28 ILE Y CD1 +23862 N N . GLY R 13 ? 1.0230 0.7180 0.8055 0.0277 -0.0146 -0.0268 29 GLY Y N +23863 C CA . GLY R 13 ? 0.9511 0.6483 0.7368 0.0256 -0.0154 -0.0245 29 GLY Y CA +23864 C C . GLY R 13 ? 1.1525 0.8398 0.9331 0.0263 -0.0160 -0.0238 29 GLY Y C +23865 O O . GLY R 13 ? 1.2591 0.9479 1.0419 0.0268 -0.0163 -0.0219 29 GLY Y O +23866 N N . ILE R 14 ? 1.1849 0.8619 0.9585 0.0263 -0.0161 -0.0252 30 ILE Y N +23867 C CA . ILE R 14 ? 1.2055 0.8722 0.9735 0.0268 -0.0166 -0.0245 30 ILE Y CA +23868 C C . ILE R 14 ? 1.2075 0.8722 0.9739 0.0333 -0.0160 -0.0245 30 ILE Y C +23869 O O . ILE R 14 ? 1.0291 0.6888 0.7933 0.0346 -0.0164 -0.0231 30 ILE Y O +23870 C CB . ILE R 14 ? 1.2259 0.8820 0.9868 0.0241 -0.0170 -0.0261 30 ILE Y CB +23871 C CG1 . ILE R 14 ? 1.5215 1.1756 1.2826 0.0177 -0.0180 -0.0251 30 ILE Y CG1 +23872 C CG2 . ILE R 14 ? 1.1758 0.8205 0.9292 0.0278 -0.0169 -0.0267 30 ILE Y CG2 +23873 C CD1 . ILE R 14 ? 1.6013 1.2661 1.3695 0.0138 -0.0183 -0.0246 30 ILE Y CD1 +23874 N N . ALA R 15 ? 1.0578 0.7267 0.8254 0.0375 -0.0150 -0.0259 31 ALA Y N +23875 C CA . ALA R 15 ? 1.1286 0.7959 0.8949 0.0439 -0.0144 -0.0261 31 ALA Y CA +23876 C C . ALA R 15 ? 1.2282 0.8990 0.9979 0.0456 -0.0149 -0.0240 31 ALA Y C +23877 O O . ALA R 15 ? 1.1333 0.7973 0.8990 0.0490 -0.0152 -0.0235 31 ALA Y O +23878 C CB . ALA R 15 ? 1.0464 0.7208 0.8157 0.0474 -0.0132 -0.0277 31 ALA Y CB +23879 N N . GLY R 16 ? 1.0998 0.7811 0.8769 0.0435 -0.0150 -0.0226 32 GLY Y N +23880 C CA . GLY R 16 ? 0.9543 0.6401 0.7353 0.0451 -0.0155 -0.0207 32 GLY Y CA +23881 C C . GLY R 16 ? 1.0908 0.7683 0.8676 0.0437 -0.0165 -0.0190 32 GLY Y C +23882 O O . GLY R 16 ? 0.9854 0.6585 0.7595 0.0478 -0.0168 -0.0184 32 GLY Y O +23883 N N . PRO R 17 ? 1.0408 0.7159 0.8168 0.0379 -0.0170 -0.0182 33 PRO Y N +23884 C CA . PRO R 17 ? 1.0885 0.7550 0.8600 0.0361 -0.0177 -0.0167 33 PRO Y CA +23885 C C . PRO R 17 ? 1.1777 0.8314 0.9407 0.0388 -0.0177 -0.0176 33 PRO Y C +23886 O O . PRO R 17 ? 1.1981 0.8453 0.9573 0.0405 -0.0181 -0.0163 33 PRO Y O +23887 C CB . PRO R 17 ? 1.0488 0.7154 0.8212 0.0292 -0.0180 -0.0163 33 PRO Y CB +23888 C CG . PRO R 17 ? 1.1064 0.7847 0.8859 0.0277 -0.0177 -0.0169 33 PRO Y CG +23889 C CD . PRO R 17 ? 1.0376 0.7188 0.8175 0.0327 -0.0169 -0.0185 33 PRO Y CD +23890 N N . MET R 18 ? 1.1209 0.7706 0.8804 0.0395 -0.0172 -0.0198 34 MET Y N +23891 C CA . MET R 18 ? 1.2373 0.8749 0.9885 0.0424 -0.0172 -0.0208 34 MET Y CA +23892 C C . MET R 18 ? 1.2121 0.8488 0.9624 0.0492 -0.0172 -0.0203 34 MET Y C +23893 O O . MET R 18 ? 1.0576 0.6843 0.8017 0.0511 -0.0175 -0.0197 34 MET Y O +23894 C CB . MET R 18 ? 1.2874 0.9228 1.0360 0.0427 -0.0166 -0.0234 34 MET Y CB +23895 C CG . MET R 18 ? 1.5797 1.2012 1.3190 0.0438 -0.0166 -0.0246 34 MET Y CG +23896 S SD . MET R 18 ? 1.7730 1.3838 1.5070 0.0378 -0.0174 -0.0233 34 MET Y SD +23897 C CE . MET R 18 ? 1.5689 1.1865 1.3076 0.0305 -0.0177 -0.0238 34 MET Y CE +23898 N N . ILE R 19 ? 1.0037 0.6509 0.7602 0.0529 -0.0168 -0.0206 35 ILE Y N +23899 C CA . ILE R 19 ? 1.0746 0.7221 0.8309 0.0594 -0.0169 -0.0203 35 ILE Y CA +23900 C C . ILE R 19 ? 1.1852 0.8299 0.9407 0.0593 -0.0179 -0.0179 35 ILE Y C +23901 O O . ILE R 19 ? 1.1997 0.8360 0.9496 0.0631 -0.0183 -0.0175 35 ILE Y O +23902 C CB . ILE R 19 ? 1.1123 0.7728 0.8766 0.0626 -0.0163 -0.0209 35 ILE Y CB +23903 C CG1 . ILE R 19 ? 1.2071 0.8689 0.9710 0.0636 -0.0151 -0.0234 35 ILE Y CG1 +23904 C CG2 . ILE R 19 ? 1.0536 0.7156 0.8187 0.0690 -0.0167 -0.0204 35 ILE Y CG2 +23905 C CD1 . ILE R 19 ? 1.1652 0.8399 0.9369 0.0660 -0.0142 -0.0241 35 ILE Y CD1 +23906 N N . ILE R 20 ? 1.1366 0.7878 0.8971 0.0549 -0.0182 -0.0162 36 ILE Y N +23907 C CA . ILE R 20 ? 1.0429 0.6920 0.8027 0.0546 -0.0190 -0.0139 36 ILE Y CA +23908 C C . ILE R 20 ? 1.2428 0.8776 0.9938 0.0527 -0.0193 -0.0133 36 ILE Y C +23909 O O . ILE R 20 ? 1.0473 0.6754 0.7939 0.0555 -0.0198 -0.0121 36 ILE Y O +23910 C CB . ILE R 20 ? 1.1355 0.7940 0.9022 0.0498 -0.0192 -0.0124 36 ILE Y CB +23911 C CG1 . ILE R 20 ? 1.0429 0.7153 0.8182 0.0514 -0.0188 -0.0130 36 ILE Y CG1 +23912 C CG2 . ILE R 20 ? 0.9447 0.6011 0.7106 0.0494 -0.0200 -0.0099 36 ILE Y CG2 +23913 C CD1 . ILE R 20 ? 0.9346 0.6107 0.7117 0.0583 -0.0190 -0.0135 36 ILE Y CD1 +23914 N N . PHE R 21 ? 1.1466 0.7764 0.8947 0.0479 -0.0189 -0.0143 37 PHE Y N +23915 C CA . PHE R 21 ? 1.1726 0.7890 0.9126 0.0453 -0.0190 -0.0139 37 PHE Y CA +23916 C C . PHE R 21 ? 1.2126 0.8180 0.9447 0.0506 -0.0190 -0.0148 37 PHE Y C +23917 O O . PHE R 21 ? 1.2042 0.7996 0.9300 0.0513 -0.0193 -0.0136 37 PHE Y O +23918 C CB . PHE R 21 ? 1.1010 0.7157 0.8403 0.0392 -0.0187 -0.0151 37 PHE Y CB +23919 C CG . PHE R 21 ? 1.3332 0.9344 1.0645 0.0361 -0.0187 -0.0150 37 PHE Y CG +23920 C CD1 . PHE R 21 ? 1.3277 0.9255 1.0580 0.0317 -0.0188 -0.0130 37 PHE Y CD1 +23921 C CD2 . PHE R 21 ? 1.3351 0.9268 1.0597 0.0374 -0.0185 -0.0170 37 PHE Y CD2 +23922 C CE1 . PHE R 21 ? 1.3223 0.9075 1.0451 0.0286 -0.0187 -0.0130 37 PHE Y CE1 +23923 C CE2 . PHE R 21 ? 1.2533 0.8321 0.9702 0.0344 -0.0185 -0.0170 37 PHE Y CE2 +23924 C CZ . PHE R 21 ? 1.3309 0.9065 1.0470 0.0299 -0.0186 -0.0150 37 PHE Y CZ +23925 N N . LEU R 22 ? 1.1783 0.7852 0.9103 0.0546 -0.0186 -0.0169 38 LEU Y N +23926 C CA . LEU R 22 ? 1.1764 0.7734 0.9012 0.0601 -0.0186 -0.0180 38 LEU Y CA +23927 C C . LEU R 22 ? 1.2331 0.8303 0.9578 0.0658 -0.0193 -0.0165 38 LEU Y C +23928 O O . LEU R 22 ? 1.2354 0.8214 0.9525 0.0689 -0.0196 -0.0162 38 LEU Y O +23929 C CB . LEU R 22 ? 1.1035 0.7037 0.8293 0.0633 -0.0179 -0.0205 38 LEU Y CB +23930 C CG . LEU R 22 ? 1.3912 0.9885 1.1151 0.0583 -0.0174 -0.0222 38 LEU Y CG +23931 C CD1 . LEU R 22 ? 1.0670 0.6676 0.7916 0.0617 -0.0166 -0.0248 38 LEU Y CD1 +23932 C CD2 . LEU R 22 ? 1.2688 0.8511 0.9834 0.0555 -0.0176 -0.0222 38 LEU Y CD2 +23933 N N . LEU R 23 ? 1.1417 0.7512 0.8743 0.0673 -0.0195 -0.0156 39 LEU Y N +23934 C CA . LEU R 23 ? 1.1915 0.8015 0.9242 0.0725 -0.0204 -0.0143 39 LEU Y CA +23935 C C . LEU R 23 ? 1.1551 0.7587 0.8842 0.0698 -0.0210 -0.0118 39 LEU Y C +23936 O O . LEU R 23 ? 1.2796 0.8771 1.0043 0.0740 -0.0218 -0.0107 39 LEU Y O +23937 C CB . LEU R 23 ? 1.1194 0.7446 0.8618 0.0748 -0.0205 -0.0142 39 LEU Y CB +23938 C CG . LEU R 23 ? 1.1830 0.8127 0.9274 0.0797 -0.0199 -0.0166 39 LEU Y CG +23939 C CD1 . LEU R 23 ? 1.1097 0.7549 0.8643 0.0809 -0.0197 -0.0167 39 LEU Y CD1 +23940 C CD2 . LEU R 23 ? 1.0086 0.6301 0.7470 0.0866 -0.0203 -0.0171 39 LEU Y CD2 +23941 N N . ALA R 24 ? 1.2376 0.8424 0.9684 0.0629 -0.0208 -0.0108 40 ALA Y N +23942 C CA . ALA R 24 ? 1.2443 0.8429 0.9716 0.0600 -0.0211 -0.0084 40 ALA Y CA +23943 C C . ALA R 24 ? 1.2492 0.8317 0.9662 0.0594 -0.0209 -0.0085 40 ALA Y C +23944 O O . ALA R 24 ? 1.5082 1.0826 1.2197 0.0610 -0.0214 -0.0068 40 ALA Y O +23945 C CB . ALA R 24 ? 1.0273 0.6327 0.7601 0.0529 -0.0208 -0.0075 40 ALA Y CB +23946 N N . VAL R 25 ? 1.3878 0.9652 1.1017 0.0570 -0.0203 -0.0103 41 VAL Y N +23947 C CA . VAL R 25 ? 1.2839 0.8456 0.9877 0.0566 -0.0201 -0.0107 41 VAL Y CA +23948 C C . VAL R 25 ? 1.3091 0.8637 1.0071 0.0643 -0.0206 -0.0108 41 VAL Y C +23949 O O . VAL R 25 ? 1.3843 0.9281 1.0752 0.0654 -0.0208 -0.0094 41 VAL Y O +23950 C CB . VAL R 25 ? 1.5097 1.0686 1.2119 0.0534 -0.0194 -0.0131 41 VAL Y CB +23951 C CG1 . VAL R 25 ? 1.4904 1.0335 1.1821 0.0549 -0.0193 -0.0139 41 VAL Y CG1 +23952 C CG2 . VAL R 25 ? 1.3070 0.8696 1.0129 0.0453 -0.0191 -0.0127 41 VAL Y CG2 +23953 N N . ARG R 26 ? 1.3537 0.9143 1.0547 0.0697 -0.0207 -0.0125 42 ARG Y N +23954 C CA . ARG R 26 ? 1.2827 0.8379 0.9792 0.0774 -0.0212 -0.0129 42 ARG Y CA +23955 C C . ARG R 26 ? 1.3903 0.9500 1.0892 0.0816 -0.0222 -0.0110 42 ARG Y C +23956 O O . ARG R 26 ? 1.4350 0.9939 1.1324 0.0887 -0.0228 -0.0115 42 ARG Y O +23957 C CB . ARG R 26 ? 1.3616 0.9224 1.0609 0.0816 -0.0207 -0.0156 42 ARG Y CB +23958 C CG . ARG R 26 ? 1.4835 1.0394 1.1798 0.0780 -0.0198 -0.0177 42 ARG Y CG +23959 C CD . ARG R 26 ? 1.4961 1.0597 1.1965 0.0816 -0.0192 -0.0201 42 ARG Y CD +23960 N NE . ARG R 26 ? 1.6086 1.1721 1.3079 0.0897 -0.0195 -0.0207 42 ARG Y NE +23961 C CZ . ARG R 26 ? 1.8864 1.4514 1.5858 0.0943 -0.0189 -0.0230 42 ARG Y CZ +23962 N NH1 . ARG R 26 ? 1.9555 1.5219 1.6556 0.0917 -0.0179 -0.0249 42 ARG Y NH1 +23963 N NH2 . ARG R 26 ? 1.8986 1.4636 1.5973 0.1018 -0.0193 -0.0233 42 ARG Y NH2 +23964 N N . ARG R 27 ? 1.3554 0.9197 1.0579 0.0775 -0.0225 -0.0089 43 ARG Y N +23965 C CA . ARG R 27 ? 1.4299 0.9992 1.1351 0.0808 -0.0235 -0.0070 43 ARG Y CA +23966 C C . ARG R 27 ? 1.4078 0.9874 1.1190 0.0875 -0.0241 -0.0082 43 ARG Y C +23967 O O . ARG R 27 ? 1.5595 1.1355 1.2674 0.0939 -0.0251 -0.0080 43 ARG Y O +23968 C CB . ARG R 27 ? 1.5179 1.0733 1.2135 0.0830 -0.0241 -0.0053 43 ARG Y CB +23969 C CG . ARG R 27 ? 1.6368 1.1833 1.3275 0.0760 -0.0234 -0.0036 43 ARG Y CG +23970 C CD . ARG R 27 ? 2.2364 1.7675 1.9164 0.0783 -0.0238 -0.0022 43 ARG Y CD +23971 N NE . ARG R 27 ? 2.5530 2.0859 2.2333 0.0814 -0.0248 0.0001 43 ARG Y NE +23972 C CZ . ARG R 27 ? 2.5567 2.0778 2.2283 0.0846 -0.0254 0.0016 43 ARG Y CZ +23973 N NH1 . ARG R 27 ? 2.4822 1.9886 2.1441 0.0853 -0.0249 0.0011 43 ARG Y NH1 +23974 N NH2 . ARG R 27 ? 2.3416 1.8656 2.0141 0.0871 -0.0264 0.0036 43 ARG Y NH2 +23975 N N . GLY R 28 ? 1.2888 0.8814 1.0088 0.0860 -0.0236 -0.0094 44 GLY Y N +23976 C CA . GLY R 28 ? 1.1488 0.7517 0.8750 0.0917 -0.0239 -0.0108 44 GLY Y CA +23977 C C . GLY R 28 ? 1.0169 0.6325 0.7514 0.0924 -0.0247 -0.0095 44 GLY Y C +23978 O O . GLY R 28 ? 1.0921 0.7088 0.8277 0.0888 -0.0251 -0.0075 44 GLY Y O +23979 N N . ASN R 29 ? 1.1994 0.8250 0.9400 0.0972 -0.0249 -0.0109 45 ASN Y N +23980 C CA . ASN R 29 ? 1.1721 0.8099 0.9206 0.0995 -0.0258 -0.0102 45 ASN Y CA +23981 C C . ASN R 29 ? 1.3065 0.9563 1.0636 0.0938 -0.0251 -0.0099 45 ASN Y C +23982 O O . ASN R 29 ? 1.1835 0.8455 0.9487 0.0951 -0.0249 -0.0110 45 ASN Y O +23983 C CB . ASN R 29 ? 1.3532 0.9964 1.1047 0.1067 -0.0260 -0.0121 45 ASN Y CB +23984 C CG . ASN R 29 ? 1.5651 1.2163 1.3214 0.1112 -0.0276 -0.0113 45 ASN Y CG +23985 O OD1 . ASN R 29 ? 1.6445 1.2978 1.4023 0.1089 -0.0285 -0.0093 45 ASN Y OD1 +23986 N ND2 . ASN R 29 ? 1.8027 1.4584 1.5615 0.1177 -0.0278 -0.0130 45 ASN Y ND2 +23987 N N . LEU R 30 ? 1.2194 0.8655 0.9747 0.0874 -0.0248 -0.0084 46 LEU Y N +23988 C CA . LEU R 30 ? 1.1639 0.8203 0.9267 0.0818 -0.0244 -0.0078 46 LEU Y CA +23989 C C . LEU R 30 ? 1.1196 0.7848 0.8880 0.0830 -0.0255 -0.0063 46 LEU Y C +23990 O O . LEU R 30 ? 1.1644 0.8415 0.9409 0.0812 -0.0253 -0.0064 46 LEU Y O +23991 C CB . LEU R 30 ? 1.0893 0.7388 0.8482 0.0748 -0.0238 -0.0066 46 LEU Y CB +23992 C CG . LEU R 30 ? 1.2562 0.9000 1.0117 0.0715 -0.0227 -0.0082 46 LEU Y CG +23993 C CD1 . LEU R 30 ? 1.0440 0.6809 0.7958 0.0648 -0.0223 -0.0069 46 LEU Y CD1 +23994 C CD2 . LEU R 30 ? 1.0780 0.7330 0.8408 0.0706 -0.0218 -0.0100 46 LEU Y CD2 +23995 O OXT . LEU R 30 ? 1.3215 0.9818 1.0861 0.0857 -0.0267 -0.0048 46 LEU Y OXT +23996 N N . ALA S 11 ? 1.5893 1.4917 1.4087 -0.0085 0.0990 0.0396 11 ALA a N +23997 C CA . ALA S 11 ? 1.8109 1.7153 1.6348 -0.0126 0.1011 0.0407 11 ALA a CA +23998 C C . ALA S 11 ? 1.8403 1.7554 1.6767 -0.0140 0.1019 0.0394 11 ALA a C +23999 O O . ALA S 11 ? 1.5194 1.4376 1.3619 -0.0171 0.1016 0.0398 11 ALA a O +24000 C CB . ALA S 11 ? 2.0154 1.9158 1.8333 -0.0142 0.1067 0.0422 11 ALA a CB +24001 N N . ASN S 12 ? 1.6284 1.5490 1.4685 -0.0116 0.1029 0.0378 12 ASN a N +24002 C CA . ASN S 12 ? 1.4999 1.4308 1.3517 -0.0122 0.1030 0.0364 12 ASN a CA +24003 C C . ASN S 12 ? 1.4199 1.3525 1.2759 -0.0111 0.0969 0.0354 12 ASN a C +24004 O O . ASN S 12 ? 1.1559 1.0821 1.0059 -0.0097 0.0929 0.0358 12 ASN a O +24005 C CB . ASN S 12 ? 1.4153 1.3512 1.2690 -0.0099 0.1065 0.0350 12 ASN a CB +24006 C CG . ASN S 12 ? 1.3400 1.2758 1.1926 -0.0057 0.1029 0.0336 12 ASN a CG +24007 O OD1 . ASN S 12 ? 1.5487 1.4914 1.4092 -0.0047 0.1011 0.0321 12 ASN a OD1 +24008 N ND2 . ASN S 12 ? 1.3508 1.2785 1.1932 -0.0034 0.1018 0.0340 12 ASN a ND2 +24009 N N . LEU S 13 ? 1.2362 1.1777 1.1026 -0.0116 0.0963 0.0341 13 LEU a N +24010 C CA . LEU S 13 ? 1.1753 1.1186 1.0465 -0.0115 0.0909 0.0335 13 LEU a CA +24011 C C . LEU S 13 ? 1.1542 1.0949 1.0219 -0.0077 0.0869 0.0325 13 LEU a C +24012 O O . LEU S 13 ? 1.0192 0.9562 0.8850 -0.0074 0.0823 0.0326 13 LEU a O +24013 C CB . LEU S 13 ? 1.3888 1.3421 1.2717 -0.0130 0.0913 0.0323 13 LEU a CB +24014 C CG . LEU S 13 ? 1.3761 1.3310 1.2642 -0.0161 0.0887 0.0327 13 LEU a CG +24015 C CD1 . LEU S 13 ? 1.3677 1.3212 1.2552 -0.0200 0.0925 0.0342 13 LEU a CD1 +24016 C CD2 . LEU S 13 ? 1.3215 1.2856 1.2203 -0.0160 0.0870 0.0311 13 LEU a CD2 +24017 N N . TRP S 14 ? 0.9462 0.8889 0.8132 -0.0048 0.0886 0.0314 14 TRP a N +24018 C CA . TRP S 14 ? 1.0662 1.0068 0.9305 -0.0012 0.0849 0.0303 14 TRP a CA +24019 C C . TRP S 14 ? 1.1824 1.1132 1.0360 -0.0001 0.0828 0.0312 14 TRP a C +24020 O O . TRP S 14 ? 1.0229 0.9508 0.8746 0.0014 0.0782 0.0307 14 TRP a O +24021 C CB . TRP S 14 ? 0.8927 0.8372 0.7580 0.0017 0.0876 0.0289 14 TRP a CB +24022 C CG . TRP S 14 ? 0.9141 0.8557 0.7758 0.0054 0.0843 0.0278 14 TRP a CG +24023 C CD1 . TRP S 14 ? 0.9400 0.8762 0.7934 0.0082 0.0851 0.0275 14 TRP a CD1 +24024 C CD2 . TRP S 14 ? 0.9961 0.9398 0.8619 0.0067 0.0796 0.0267 14 TRP a CD2 +24025 N NE1 . TRP S 14 ? 1.0459 0.9807 0.8982 0.0110 0.0812 0.0263 14 TRP a NE1 +24026 C CE2 . TRP S 14 ? 1.1152 1.0545 0.9750 0.0101 0.0778 0.0258 14 TRP a CE2 +24027 C CE3 . TRP S 14 ? 0.8926 0.8412 0.7664 0.0052 0.0767 0.0264 14 TRP a CE3 +24028 C CZ2 . TRP S 14 ? 1.0543 0.9938 0.9158 0.0120 0.0734 0.0247 14 TRP a CZ2 +24029 C CZ3 . TRP S 14 ? 0.9348 0.8837 0.8102 0.0072 0.0724 0.0253 14 TRP a CZ3 +24030 C CH2 . TRP S 14 ? 0.9441 0.8885 0.8134 0.0105 0.0708 0.0245 14 TRP a CH2 +24031 N N . GLU S 15 ? 1.1342 1.0598 0.9808 -0.0010 0.0861 0.0325 15 GLU a N +24032 C CA . GLU S 15 ? 1.0627 0.9789 0.8987 0.0001 0.0843 0.0333 15 GLU a CA +24033 C C . GLU S 15 ? 1.0530 0.9654 0.8881 -0.0017 0.0802 0.0343 15 GLU a C +24034 O O . GLU S 15 ? 0.8549 0.7616 0.6842 -0.0001 0.0764 0.0342 15 GLU a O +24035 C CB . GLU S 15 ? 1.2549 1.1668 1.0839 -0.0005 0.0893 0.0346 15 GLU a CB +24036 C CG . GLU S 15 ? 1.5086 1.4108 1.3258 0.0011 0.0882 0.0354 15 GLU a CG +24037 C CD . GLU S 15 ? 1.9375 1.8355 1.7480 0.0002 0.0933 0.0367 15 GLU a CD +24038 O OE1 . GLU S 15 ? 1.7808 1.6840 1.5956 -0.0010 0.0982 0.0367 15 GLU a OE1 +24039 O OE2 . GLU S 15 ? 1.9532 1.8428 1.7541 0.0006 0.0926 0.0378 15 GLU a OE2 +24040 N N . ARG S 16 ? 0.8550 0.7707 0.6959 -0.0049 0.0808 0.0350 16 ARG a N +24041 C CA . ARG S 16 ? 1.0711 0.9837 0.9118 -0.0065 0.0769 0.0358 16 ARG a CA +24042 C C . ARG S 16 ? 1.0303 0.9458 0.8759 -0.0053 0.0719 0.0345 16 ARG a C +24043 O O . ARG S 16 ? 0.9839 0.8951 0.8265 -0.0050 0.0678 0.0348 16 ARG a O +24044 C CB . ARG S 16 ? 1.0788 0.9941 0.9243 -0.0103 0.0790 0.0368 16 ARG a CB +24045 C CG . ARG S 16 ? 1.2403 1.1521 1.0807 -0.0119 0.0840 0.0383 16 ARG a CG +24046 C CD . ARG S 16 ? 1.4739 1.3863 1.3176 -0.0158 0.0850 0.0395 16 ARG a CD +24047 N NE . ARG S 16 ? 1.8209 1.7277 1.6612 -0.0162 0.0808 0.0403 16 ARG a NE +24048 C CZ . ARG S 16 ? 1.8559 1.7643 1.7011 -0.0188 0.0791 0.0407 16 ARG a CZ +24049 N NH1 . ARG S 16 ? 1.8033 1.7186 1.6571 -0.0213 0.0812 0.0403 16 ARG a NH1 +24050 N NH2 . ARG S 16 ? 1.7100 1.6129 1.5513 -0.0188 0.0753 0.0414 16 ARG a NH2 +24051 N N . PHE S 17 ? 1.0303 0.9533 0.8836 -0.0046 0.0723 0.0331 17 PHE a N +24052 C CA . PHE S 17 ? 0.9253 0.8508 0.7828 -0.0032 0.0678 0.0319 17 PHE a CA +24053 C C . PHE S 17 ? 0.9982 0.9181 0.8485 0.0000 0.0652 0.0313 17 PHE a C +24054 O O . PHE S 17 ? 0.8663 0.7835 0.7155 0.0004 0.0608 0.0311 17 PHE a O +24055 C CB . PHE S 17 ? 0.8894 0.8236 0.7557 -0.0027 0.0691 0.0305 17 PHE a CB +24056 C CG . PHE S 17 ? 1.0576 0.9945 0.9284 -0.0012 0.0648 0.0292 17 PHE a CG +24057 C CD1 . PHE S 17 ? 0.8901 0.8272 0.7642 -0.0029 0.0612 0.0295 17 PHE a CD1 +24058 C CD2 . PHE S 17 ? 0.9036 0.8428 0.7753 0.0018 0.0645 0.0278 17 PHE a CD2 +24059 C CE1 . PHE S 17 ? 1.0489 0.9883 0.9268 -0.0016 0.0574 0.0284 17 PHE a CE1 +24060 C CE2 . PHE S 17 ? 1.0962 1.0375 0.9717 0.0031 0.0606 0.0267 17 PHE a CE2 +24061 C CZ . PHE S 17 ? 0.7808 0.7222 0.6593 0.0013 0.0571 0.0270 17 PHE a CZ +24062 N N . CYS S 18 ? 0.8501 0.7682 0.6955 0.0021 0.0678 0.0309 18 CYS a N +24063 C CA . CYS S 18 ? 0.7993 0.7120 0.6376 0.0050 0.0655 0.0302 18 CYS a CA +24064 C C . CYS S 18 ? 0.9393 0.8442 0.7701 0.0046 0.0628 0.0312 18 CYS a C +24065 O O . CYS S 18 ? 0.8960 0.7973 0.7234 0.0063 0.0590 0.0306 18 CYS a O +24066 C CB . CYS S 18 ? 0.8619 0.7734 0.6955 0.0072 0.0693 0.0299 18 CYS a CB +24067 S SG . CYS S 18 ? 0.8642 0.7844 0.7057 0.0086 0.0722 0.0284 18 CYS a SG +24068 N N . ASN S 19 ? 0.8505 0.7525 0.6784 0.0025 0.0647 0.0328 19 ASN a N +24069 C CA . ASN S 19 ? 0.9253 0.8198 0.7458 0.0023 0.0622 0.0338 19 ASN a CA +24070 C C . ASN S 19 ? 0.8145 0.7098 0.6392 0.0010 0.0577 0.0338 19 ASN a C +24071 O O . ASN S 19 ? 0.8854 0.7758 0.7054 0.0018 0.0540 0.0338 19 ASN a O +24072 C CB . ASN S 19 ? 1.0816 0.9724 0.8974 0.0005 0.0657 0.0355 19 ASN a CB +24073 C CG . ASN S 19 ? 1.1792 1.0669 0.9880 0.0021 0.0697 0.0357 19 ASN a CG +24074 O OD1 . ASN S 19 ? 1.3050 1.1899 1.1089 0.0049 0.0687 0.0347 19 ASN a OD1 +24075 N ND2 . ASN S 19 ? 1.2279 1.1161 1.0363 0.0003 0.0744 0.0368 19 ASN a ND2 +24076 N N . TRP S 20 ? 0.8115 0.7130 0.6449 -0.0011 0.0580 0.0338 20 TRP a N +24077 C CA . TRP S 20 ? 0.7712 0.6739 0.6089 -0.0021 0.0538 0.0336 20 TRP a CA +24078 C C . TRP S 20 ? 0.8085 0.7125 0.6479 0.0000 0.0502 0.0320 20 TRP a C +24079 O O . TRP S 20 ? 0.8371 0.7377 0.6742 0.0005 0.0462 0.0319 20 TRP a O +24080 C CB . TRP S 20 ? 0.7677 0.6767 0.6142 -0.0048 0.0550 0.0338 20 TRP a CB +24081 C CG . TRP S 20 ? 0.8447 0.7551 0.6957 -0.0057 0.0508 0.0335 20 TRP a CG +24082 C CD1 . TRP S 20 ? 0.8950 0.8018 0.7442 -0.0070 0.0484 0.0345 20 TRP a CD1 +24083 C CD2 . TRP S 20 ? 0.8869 0.8027 0.7449 -0.0051 0.0485 0.0322 20 TRP a CD2 +24084 N NE1 . TRP S 20 ? 0.8417 0.7514 0.6963 -0.0074 0.0449 0.0338 20 TRP a NE1 +24085 C CE2 . TRP S 20 ? 0.9518 0.8670 0.8118 -0.0063 0.0449 0.0324 20 TRP a CE2 +24086 C CE3 . TRP S 20 ? 0.8935 0.8145 0.7560 -0.0036 0.0492 0.0309 20 TRP a CE3 +24087 C CZ2 . TRP S 20 ? 0.7464 0.6657 0.6125 -0.0062 0.0421 0.0314 20 TRP a CZ2 +24088 C CZ3 . TRP S 20 ? 0.8563 0.7813 0.7248 -0.0034 0.0463 0.0299 20 TRP a CZ3 +24089 C CH2 . TRP S 20 ? 0.8888 0.8128 0.7590 -0.0047 0.0428 0.0302 20 TRP a CH2 +24090 N N . VAL S 21 ? 0.7679 0.6764 0.6109 0.0015 0.0516 0.0309 21 VAL a N +24091 C CA . VAL S 21 ? 0.7341 0.6434 0.5784 0.0036 0.0485 0.0294 21 VAL a CA +24092 C C . VAL S 21 ? 0.8598 0.7621 0.6958 0.0054 0.0459 0.0292 21 VAL a C +24093 O O . VAL S 21 ? 0.8405 0.7414 0.6765 0.0059 0.0419 0.0285 21 VAL a O +24094 C CB . VAL S 21 ? 0.8753 0.7896 0.7232 0.0053 0.0508 0.0282 21 VAL a CB +24095 C CG1 . VAL S 21 ? 0.7340 0.6469 0.5804 0.0080 0.0479 0.0268 21 VAL a CG1 +24096 C CG2 . VAL S 21 ? 0.7848 0.7068 0.6424 0.0037 0.0517 0.0280 21 VAL a CG2 +24097 N N . THR S 22 ? 0.8341 0.7318 0.6626 0.0065 0.0482 0.0296 22 THR a N +24098 C CA . THR S 22 ? 0.8320 0.7233 0.6525 0.0084 0.0459 0.0292 22 THR a CA +24099 C C . THR S 22 ? 0.7446 0.6300 0.5593 0.0074 0.0442 0.0304 22 THR a C +24100 O O . THR S 22 ? 0.8848 0.7645 0.6920 0.0089 0.0427 0.0302 22 THR a O +24101 C CB . THR S 22 ? 0.8870 0.7760 0.7017 0.0107 0.0488 0.0287 22 THR a CB +24102 O OG1 . THR S 22 ? 0.8983 0.7864 0.7103 0.0097 0.0531 0.0300 22 THR a OG1 +24103 C CG2 . THR S 22 ? 0.7657 0.6598 0.5854 0.0122 0.0500 0.0273 22 THR a CG2 +24104 N N . SER S 23 ? 0.7607 0.6476 0.5789 0.0049 0.0443 0.0315 23 SER a N +24105 C CA . SER S 23 ? 0.7373 0.6186 0.5500 0.0041 0.0428 0.0327 23 SER a CA +24106 C C . SER S 23 ? 0.8341 0.7126 0.6451 0.0048 0.0377 0.0320 23 SER a C +24107 O O . SER S 23 ? 0.9195 0.8015 0.7364 0.0045 0.0351 0.0312 23 SER a O +24108 C CB . SER S 23 ? 0.7710 0.6546 0.5883 0.0013 0.0439 0.0340 23 SER a CB +24109 O OG . SER S 23 ? 0.8934 0.7723 0.7069 0.0006 0.0411 0.0348 23 SER a OG +24110 N N . THR S 24 ? 0.8741 0.7461 0.6769 0.0058 0.0363 0.0324 24 THR a N +24111 C CA . THR S 24 ? 0.7415 0.6104 0.5419 0.0065 0.0315 0.0318 24 THR a CA +24112 C C . THR S 24 ? 0.8374 0.7058 0.6397 0.0047 0.0295 0.0328 24 THR a C +24113 O O . THR S 24 ? 0.8355 0.7012 0.6356 0.0052 0.0256 0.0324 24 THR a O +24114 C CB . THR S 24 ? 0.9627 0.8249 0.7533 0.0085 0.0309 0.0316 24 THR a CB +24115 O OG1 . THR S 24 ? 0.9948 0.8533 0.7800 0.0081 0.0338 0.0332 24 THR a OG1 +24116 C CG2 . THR S 24 ? 0.9960 0.8580 0.7843 0.0106 0.0320 0.0303 24 THR a CG2 +24117 N N . ASP S 25 ? 0.7609 0.6317 0.5669 0.0027 0.0321 0.0340 25 ASP a N +24118 C CA . ASP S 25 ? 0.7937 0.6639 0.6014 0.0010 0.0304 0.0350 25 ASP a CA +24119 C C . ASP S 25 ? 0.9750 0.8514 0.7922 -0.0007 0.0292 0.0346 25 ASP a C +24120 O O . ASP S 25 ? 0.8638 0.7400 0.6829 -0.0020 0.0275 0.0352 25 ASP a O +24121 C CB . ASP S 25 ? 1.0091 0.8769 0.8138 -0.0004 0.0339 0.0368 25 ASP a CB +24122 C CG . ASP S 25 ? 1.1074 0.9689 0.9023 0.0012 0.0356 0.0374 25 ASP a CG +24123 O OD1 . ASP S 25 ? 1.0366 0.8943 0.8259 0.0033 0.0330 0.0366 25 ASP a OD1 +24124 O OD2 . ASP S 25 ? 1.2601 1.1204 1.0528 0.0003 0.0396 0.0386 25 ASP a OD2 +24125 N N . ASN S 26 ? 0.7562 0.6378 0.5790 -0.0006 0.0301 0.0335 26 ASN a N +24126 C CA . ASN S 26 ? 0.8911 0.7781 0.7224 -0.0019 0.0287 0.0330 26 ASN a CA +24127 C C . ASN S 26 ? 0.6482 0.5342 0.4799 -0.0013 0.0240 0.0321 26 ASN a C +24128 O O . ASN S 26 ? 0.8387 0.7220 0.6663 0.0005 0.0221 0.0312 26 ASN a O +24129 C CB . ASN S 26 ? 0.8160 0.7084 0.6525 -0.0015 0.0306 0.0321 26 ASN a CB +24130 C CG . ASN S 26 ? 0.8188 0.7142 0.6579 -0.0029 0.0351 0.0329 26 ASN a CG +24131 O OD1 . ASN S 26 ? 0.8929 0.7883 0.7333 -0.0049 0.0360 0.0340 26 ASN a OD1 +24132 N ND2 . ASN S 26 ? 0.8482 0.7460 0.6879 -0.0018 0.0378 0.0324 26 ASN a ND2 +24133 N N . ARG S 27 ? 0.7881 0.6761 0.6245 -0.0029 0.0221 0.0324 27 ARG a N +24134 C CA . ARG S 27 ? 0.7814 0.6688 0.6187 -0.0026 0.0179 0.0316 27 ARG a CA +24135 C C . ARG S 27 ? 0.8836 0.7732 0.7231 -0.0013 0.0163 0.0300 27 ARG a C +24136 O O . ARG S 27 ? 0.7469 0.6341 0.5838 -0.0003 0.0133 0.0291 27 ARG a O +24137 C CB . ARG S 27 ? 0.7392 0.6294 0.5823 -0.0046 0.0169 0.0321 27 ARG a CB +24138 C CG . ARG S 27 ? 0.7953 0.6858 0.6406 -0.0045 0.0128 0.0313 27 ARG a CG +24139 C CD . ARG S 27 ? 0.7069 0.5923 0.5459 -0.0034 0.0103 0.0313 27 ARG a CD +24140 N NE . ARG S 27 ? 0.8007 0.6868 0.6421 -0.0034 0.0065 0.0304 27 ARG a NE +24141 C CZ . ARG S 27 ? 0.7628 0.6493 0.6043 -0.0024 0.0044 0.0290 27 ARG a CZ +24142 N NH1 . ARG S 27 ? 0.6684 0.5544 0.5076 -0.0011 0.0055 0.0283 27 ARG a NH1 +24143 N NH2 . ARG S 27 ? 0.6462 0.5333 0.4900 -0.0026 0.0011 0.0282 27 ARG a NH2 +24144 N N . LEU S 28 ? 0.7977 0.6916 0.6416 -0.0014 0.0184 0.0296 28 LEU a N +24145 C CA . LEU S 28 ? 0.7889 0.6841 0.6337 0.0001 0.0177 0.0282 28 LEU a CA +24146 C C . LEU S 28 ? 0.8246 0.7200 0.6671 0.0013 0.0212 0.0282 28 LEU a C +24147 O O . LEU S 28 ? 0.8335 0.7319 0.6790 0.0004 0.0243 0.0289 28 LEU a O +24148 C CB . LEU S 28 ? 0.7698 0.6702 0.6223 -0.0007 0.0166 0.0275 28 LEU a CB +24149 C CG . LEU S 28 ? 0.8093 0.7101 0.6647 -0.0019 0.0134 0.0275 28 LEU a CG +24150 C CD1 . LEU S 28 ? 0.8720 0.7780 0.7348 -0.0028 0.0130 0.0270 28 LEU a CD1 +24151 C CD2 . LEU S 28 ? 0.7823 0.6795 0.6339 -0.0009 0.0101 0.0266 28 LEU a CD2 +24152 N N . TYR S 29 ? 0.7293 0.6214 0.5666 0.0033 0.0208 0.0274 29 TYR a N +24153 C CA . TYR S 29 ? 0.6886 0.5807 0.5233 0.0047 0.0241 0.0272 29 TYR a CA +24154 C C . TYR S 29 ? 0.7821 0.6798 0.6232 0.0049 0.0256 0.0265 29 TYR a C +24155 O O . TYR S 29 ? 0.7483 0.6478 0.5928 0.0053 0.0232 0.0256 29 TYR a O +24156 C CB . TYR S 29 ? 0.6793 0.5664 0.5068 0.0068 0.0230 0.0263 29 TYR a CB +24157 C CG . TYR S 29 ? 0.8349 0.7215 0.6591 0.0084 0.0265 0.0262 29 TYR a CG +24158 C CD1 . TYR S 29 ? 0.8200 0.7043 0.6397 0.0083 0.0296 0.0273 29 TYR a CD1 +24159 C CD2 . TYR S 29 ? 0.8270 0.7153 0.6525 0.0101 0.0269 0.0249 29 TYR a CD2 +24160 C CE1 . TYR S 29 ? 0.7437 0.6276 0.5604 0.0098 0.0331 0.0271 29 TYR a CE1 +24161 C CE2 . TYR S 29 ? 0.7851 0.6731 0.6077 0.0117 0.0303 0.0247 29 TYR a CE2 +24162 C CZ . TYR S 29 ? 0.8453 0.7313 0.6636 0.0115 0.0334 0.0258 29 TYR a CZ +24163 O OH . TYR S 29 ? 0.7945 0.6803 0.6100 0.0131 0.0370 0.0256 29 TYR a OH +24164 N N . VAL S 30 ? 0.7822 0.6826 0.6248 0.0048 0.0294 0.0270 30 VAL a N +24165 C CA . VAL S 30 ? 0.7612 0.6672 0.6098 0.0053 0.0310 0.0263 30 VAL a CA +24166 C C . VAL S 30 ? 0.8174 0.7220 0.6622 0.0079 0.0323 0.0253 30 VAL a C +24167 O O . VAL S 30 ? 0.8446 0.7486 0.6892 0.0094 0.0301 0.0241 30 VAL a O +24168 C CB . VAL S 30 ? 0.8269 0.7374 0.6801 0.0035 0.0345 0.0272 30 VAL a CB +24169 C CG1 . VAL S 30 ? 0.7603 0.6772 0.6202 0.0041 0.0360 0.0264 30 VAL a CG1 +24170 C CG2 . VAL S 30 ? 0.7890 0.7000 0.6452 0.0010 0.0330 0.0282 30 VAL a CG2 +24171 N N . GLY S 31 ? 0.7119 0.6155 0.5532 0.0085 0.0359 0.0258 31 GLY a N +24172 C CA . GLY S 31 ? 0.6674 0.5694 0.5045 0.0110 0.0374 0.0249 31 GLY a CA +24173 C C . GLY S 31 ? 0.7795 0.6872 0.6225 0.0121 0.0390 0.0240 31 GLY a C +24174 O O . GLY S 31 ? 0.8109 0.7238 0.6612 0.0110 0.0384 0.0239 31 GLY a O +24175 N N . TRP S 32 ? 0.7426 0.6494 0.5823 0.0145 0.0411 0.0232 32 TRP a N +24176 C CA . TRP S 32 ? 0.8075 0.7199 0.6526 0.0159 0.0428 0.0223 32 TRP a CA +24177 C C . TRP S 32 ? 0.7954 0.7087 0.6436 0.0169 0.0393 0.0211 32 TRP a C +24178 O O . TRP S 32 ? 0.7921 0.7111 0.6470 0.0170 0.0395 0.0207 32 TRP a O +24179 C CB . TRP S 32 ? 0.7866 0.6977 0.6272 0.0183 0.0461 0.0217 32 TRP a CB +24180 C CG . TRP S 32 ? 0.9118 0.8225 0.7500 0.0171 0.0499 0.0229 32 TRP a CG +24181 C CD1 . TRP S 32 ? 0.7967 0.7013 0.6265 0.0177 0.0510 0.0234 32 TRP a CD1 +24182 C CD2 . TRP S 32 ? 0.7370 0.6532 0.5811 0.0150 0.0529 0.0238 32 TRP a CD2 +24183 N NE1 . TRP S 32 ? 0.7858 0.6916 0.6156 0.0161 0.0547 0.0247 32 TRP a NE1 +24184 C CE2 . TRP S 32 ? 0.8053 0.7182 0.6439 0.0144 0.0560 0.0249 32 TRP a CE2 +24185 C CE3 . TRP S 32 ? 0.7587 0.6820 0.6118 0.0137 0.0533 0.0238 32 TRP a CE3 +24186 C CZ2 . TRP S 32 ? 0.7840 0.7005 0.6260 0.0122 0.0595 0.0259 32 TRP a CZ2 +24187 C CZ3 . TRP S 32 ? 0.8949 0.8220 0.7516 0.0115 0.0567 0.0247 32 TRP a CZ3 +24188 C CH2 . TRP S 32 ? 0.8766 0.8003 0.7279 0.0107 0.0599 0.0258 32 TRP a CH2 +24189 N N . PHE S 33 ? 0.7349 0.6428 0.5781 0.0176 0.0360 0.0206 33 PHE a N +24190 C CA . PHE S 33 ? 0.8123 0.7208 0.6584 0.0180 0.0327 0.0197 33 PHE a CA +24191 C C . PHE S 33 ? 0.7731 0.6853 0.6257 0.0155 0.0309 0.0203 33 PHE a C +24192 O O . PHE S 33 ? 0.7149 0.6306 0.5728 0.0158 0.0297 0.0198 33 PHE a O +24193 C CB . PHE S 33 ? 0.6812 0.5830 0.5207 0.0189 0.0296 0.0190 33 PHE a CB +24194 C CG . PHE S 33 ? 0.7689 0.6676 0.6032 0.0217 0.0305 0.0178 33 PHE a CG +24195 C CD1 . PHE S 33 ? 0.7713 0.6717 0.6080 0.0236 0.0303 0.0167 33 PHE a CD1 +24196 C CD2 . PHE S 33 ? 0.8205 0.7142 0.6473 0.0226 0.0317 0.0179 33 PHE a CD2 +24197 C CE1 . PHE S 33 ? 0.7699 0.6672 0.6016 0.0264 0.0312 0.0156 33 PHE a CE1 +24198 C CE2 . PHE S 33 ? 0.7482 0.6387 0.5699 0.0253 0.0326 0.0168 33 PHE a CE2 +24199 C CZ . PHE S 33 ? 0.7701 0.6624 0.5943 0.0272 0.0323 0.0156 33 PHE a CZ +24200 N N . GLY S 34 ? 0.6894 0.6007 0.5416 0.0133 0.0309 0.0215 34 GLY a N +24201 C CA . GLY S 34 ? 0.7049 0.6195 0.5629 0.0109 0.0293 0.0221 34 GLY a CA +24202 C C . GLY S 34 ? 0.7909 0.7124 0.6563 0.0102 0.0316 0.0223 34 GLY a C +24203 O O . GLY S 34 ? 0.7398 0.6647 0.6109 0.0089 0.0300 0.0223 34 GLY a O +24204 N N . VAL S 35 ? 0.7127 0.6364 0.5782 0.0110 0.0353 0.0224 35 VAL a N +24205 C CA . VAL S 35 ? 0.7339 0.6647 0.6067 0.0105 0.0375 0.0223 35 VAL a CA +24206 C C . VAL S 35 ? 0.8507 0.7849 0.7280 0.0122 0.0359 0.0211 35 VAL a C +24207 O O . VAL S 35 ? 0.7423 0.6823 0.6267 0.0112 0.0359 0.0210 35 VAL a O +24208 C CB . VAL S 35 ? 0.8225 0.7545 0.6937 0.0113 0.0420 0.0225 35 VAL a CB +24209 C CG1 . VAL S 35 ? 0.8114 0.7506 0.6894 0.0121 0.0441 0.0218 35 VAL a CG1 +24210 C CG2 . VAL S 35 ? 0.6870 0.6174 0.5562 0.0089 0.0440 0.0239 35 VAL a CG2 +24211 N N . ILE S 36 ? 0.7120 0.6428 0.5854 0.0146 0.0344 0.0201 36 ILE a N +24212 C CA . ILE S 36 ? 0.7781 0.7109 0.6547 0.0162 0.0324 0.0191 36 ILE a CA +24213 C C . ILE S 36 ? 0.6827 0.6133 0.5599 0.0149 0.0285 0.0191 36 ILE a C +24214 O O . ILE S 36 ? 0.7165 0.6506 0.5989 0.0146 0.0270 0.0189 36 ILE a O +24215 C CB . ILE S 36 ? 0.8040 0.7337 0.6759 0.0195 0.0328 0.0180 36 ILE a CB +24216 C CG1 . ILE S 36 ? 0.7897 0.7223 0.6617 0.0210 0.0369 0.0177 36 ILE a CG1 +24217 C CG2 . ILE S 36 ? 0.6529 0.5836 0.5273 0.0212 0.0305 0.0169 36 ILE a CG2 +24218 C CD1 . ILE S 36 ? 0.8352 0.7757 0.7152 0.0212 0.0386 0.0175 36 ILE a CD1 +24219 N N . MET S 37 ? 0.7555 0.6804 0.6272 0.0141 0.0268 0.0195 37 MET a N +24220 C CA . MET S 37 ? 0.7042 0.6265 0.5756 0.0130 0.0231 0.0194 37 MET a CA +24221 C C . MET S 37 ? 0.7243 0.6505 0.6018 0.0105 0.0221 0.0202 37 MET a C +24222 O O . MET S 37 ? 0.7270 0.6539 0.6072 0.0101 0.0196 0.0198 37 MET a O +24223 C CB . MET S 37 ? 0.7211 0.6372 0.5859 0.0124 0.0218 0.0197 37 MET a CB +24224 C CG . MET S 37 ? 0.6833 0.5971 0.5481 0.0112 0.0181 0.0196 37 MET a CG +24225 S SD . MET S 37 ? 0.7574 0.6650 0.6154 0.0102 0.0165 0.0200 37 MET a SD +24226 C CE . MET S 37 ? 0.7644 0.6744 0.6255 0.0076 0.0174 0.0215 37 MET a CE +24227 N N . ILE S 38 ? 0.6847 0.6130 0.5638 0.0087 0.0241 0.0212 38 ILE a N +24228 C CA . ILE S 38 ? 0.7418 0.6726 0.6255 0.0062 0.0230 0.0219 38 ILE a CA +24229 C C . ILE S 38 ? 0.7664 0.7030 0.6571 0.0062 0.0228 0.0214 38 ILE a C +24230 O O . ILE S 38 ? 0.7740 0.7111 0.6673 0.0054 0.0202 0.0213 38 ILE a O +24231 C CB . ILE S 38 ? 0.6910 0.6219 0.5742 0.0042 0.0252 0.0231 38 ILE a CB +24232 C CG1 . ILE S 38 ? 0.7634 0.6880 0.6397 0.0039 0.0242 0.0236 38 ILE a CG1 +24233 C CG2 . ILE S 38 ? 0.5905 0.5253 0.4796 0.0017 0.0248 0.0237 38 ILE a CG2 +24234 C CD1 . ILE S 38 ? 0.7543 0.6777 0.6281 0.0027 0.0269 0.0248 38 ILE a CD1 +24235 N N . PRO S 39 ? 0.7819 0.7230 0.6758 0.0073 0.0253 0.0211 39 PRO a N +24236 C CA . PRO S 39 ? 0.6861 0.6329 0.5869 0.0074 0.0248 0.0205 39 PRO a CA +24237 C C . PRO S 39 ? 0.7175 0.6630 0.6180 0.0093 0.0221 0.0196 39 PRO a C +24238 O O . PRO S 39 ? 0.6669 0.6150 0.5717 0.0087 0.0203 0.0194 39 PRO a O +24239 C CB . PRO S 39 ? 0.7519 0.7036 0.6555 0.0085 0.0282 0.0202 39 PRO a CB +24240 C CG . PRO S 39 ? 0.8012 0.7500 0.7002 0.0078 0.0309 0.0210 39 PRO a CG +24241 C CD . PRO S 39 ? 0.6794 0.6211 0.5714 0.0083 0.0289 0.0211 39 PRO a CD +24242 N N . THR S 40 ? 0.6707 0.6121 0.5660 0.0115 0.0218 0.0190 40 THR a N +24243 C CA . THR S 40 ? 0.7333 0.6734 0.6283 0.0133 0.0195 0.0180 40 THR a CA +24244 C C . THR S 40 ? 0.7354 0.6718 0.6290 0.0118 0.0163 0.0182 40 THR a C +24245 O O . THR S 40 ? 0.7707 0.7080 0.6668 0.0120 0.0143 0.0179 40 THR a O +24246 C CB . THR S 40 ? 0.7680 0.7045 0.6577 0.0162 0.0203 0.0172 40 THR a CB +24247 O OG1 . THR S 40 ? 0.7100 0.6411 0.5934 0.0157 0.0205 0.0176 40 THR a OG1 +24248 C CG2 . THR S 40 ? 0.6448 0.5859 0.5369 0.0181 0.0234 0.0168 40 THR a CG2 +24249 N N . LEU S 41 ? 0.6989 0.6313 0.5885 0.0103 0.0157 0.0188 41 LEU a N +24250 C CA . LEU S 41 ? 0.7002 0.6297 0.5891 0.0087 0.0128 0.0190 41 LEU a CA +24251 C C . LEU S 41 ? 0.7146 0.6482 0.6093 0.0066 0.0121 0.0196 41 LEU a C +24252 O O . LEU S 41 ? 0.7311 0.6641 0.6271 0.0059 0.0097 0.0194 41 LEU a O +24253 C CB . LEU S 41 ? 0.6077 0.5324 0.4913 0.0078 0.0123 0.0194 41 LEU a CB +24254 C CG . LEU S 41 ? 0.7269 0.6464 0.6040 0.0096 0.0121 0.0187 41 LEU a CG +24255 C CD1 . LEU S 41 ? 0.7659 0.6812 0.6387 0.0082 0.0110 0.0192 41 LEU a CD1 +24256 C CD2 . LEU S 41 ? 0.7004 0.6178 0.5765 0.0109 0.0100 0.0177 41 LEU a CD2 +24257 N N . LEU S 42 ? 0.6734 0.6109 0.5714 0.0055 0.0142 0.0202 42 LEU a N +24258 C CA . LEU S 42 ? 0.6937 0.6351 0.5972 0.0035 0.0136 0.0206 42 LEU a CA +24259 C C . LEU S 42 ? 0.7405 0.6857 0.6485 0.0047 0.0127 0.0199 42 LEU a C +24260 O O . LEU S 42 ? 0.7354 0.6813 0.6460 0.0036 0.0106 0.0199 42 LEU a O +24261 C CB . LEU S 42 ? 0.6120 0.5567 0.5180 0.0020 0.0161 0.0214 42 LEU a CB +24262 C CG . LEU S 42 ? 0.8228 0.7640 0.7255 0.0002 0.0164 0.0224 42 LEU a CG +24263 C CD1 . LEU S 42 ? 0.7040 0.6479 0.6084 -0.0012 0.0194 0.0232 42 LEU a CD1 +24264 C CD2 . LEU S 42 ? 0.6826 0.6225 0.5862 -0.0016 0.0136 0.0227 42 LEU a CD2 +24265 N N . ALA S 43 ? 0.6478 0.5954 0.5567 0.0069 0.0142 0.0193 43 ALA a N +24266 C CA . ALA S 43 ? 0.7003 0.6511 0.6129 0.0084 0.0133 0.0185 43 ALA a CA +24267 C C . ALA S 43 ? 0.6738 0.6204 0.5837 0.0091 0.0104 0.0181 43 ALA a C +24268 O O . ALA S 43 ? 0.6501 0.5982 0.5630 0.0086 0.0086 0.0180 43 ALA a O +24269 C CB . ALA S 43 ? 0.5984 0.5517 0.5114 0.0111 0.0153 0.0178 43 ALA a CB +24270 N N . ALA S 44 ? 0.6019 0.5432 0.5061 0.0102 0.0100 0.0178 44 ALA a N +24271 C CA . ALA S 44 ? 0.6091 0.5461 0.5105 0.0107 0.0075 0.0174 44 ALA a CA +24272 C C . ALA S 44 ? 0.6894 0.6253 0.5918 0.0081 0.0054 0.0179 44 ALA a C +24273 O O . ALA S 44 ? 0.6637 0.5990 0.5670 0.0081 0.0035 0.0176 44 ALA a O +24274 C CB . ALA S 44 ? 0.5435 0.4750 0.4385 0.0119 0.0076 0.0170 44 ALA a CB +24275 N N . THR S 45 ? 0.6578 0.5934 0.5599 0.0061 0.0059 0.0187 45 THR a N +24276 C CA . THR S 45 ? 0.6481 0.5825 0.5508 0.0038 0.0040 0.0191 45 THR a CA +24277 C C . THR S 45 ? 0.6882 0.6270 0.5965 0.0027 0.0034 0.0193 45 THR a C +24278 O O . THR S 45 ? 0.6769 0.6148 0.5860 0.0019 0.0013 0.0192 45 THR a O +24279 C CB . THR S 45 ? 0.6821 0.6152 0.5830 0.0021 0.0047 0.0199 45 THR a CB +24280 O OG1 . THR S 45 ? 0.6717 0.6002 0.5669 0.0031 0.0047 0.0196 45 THR a OG1 +24281 C CG2 . THR S 45 ? 0.5916 0.5241 0.4938 -0.0002 0.0029 0.0204 45 THR a CG2 +24282 N N . ILE S 46 ? 0.6168 0.5602 0.5289 0.0025 0.0051 0.0196 46 ILE a N +24283 C CA . ILE S 46 ? 0.6197 0.5674 0.5372 0.0013 0.0045 0.0197 46 ILE a CA +24284 C C . ILE S 46 ? 0.7240 0.6725 0.6428 0.0030 0.0031 0.0190 46 ILE a C +24285 O O . ILE S 46 ? 0.6566 0.6053 0.5772 0.0021 0.0013 0.0190 46 ILE a O +24286 C CB . ILE S 46 ? 0.6357 0.5883 0.5571 0.0007 0.0068 0.0199 46 ILE a CB +24287 C CG1 . ILE S 46 ? 0.6875 0.6387 0.6073 -0.0013 0.0080 0.0208 46 ILE a CG1 +24288 C CG2 . ILE S 46 ? 0.5915 0.5488 0.5185 -0.0001 0.0061 0.0198 46 ILE a CG2 +24289 C CD1 . ILE S 46 ? 0.7809 0.7358 0.7031 -0.0018 0.0108 0.0211 46 ILE a CD1 +24290 N N . CYS S 47 ? 0.6949 0.6437 0.6127 0.0055 0.0039 0.0183 47 CYS a N +24291 C CA . CYS S 47 ? 0.6359 0.5849 0.5544 0.0073 0.0025 0.0177 47 CYS a CA +24292 C C . CYS S 47 ? 0.6625 0.6063 0.5776 0.0069 0.0002 0.0176 47 CYS a C +24293 O O . CYS S 47 ? 0.6143 0.5584 0.5308 0.0069 -0.0014 0.0175 47 CYS a O +24294 C CB . CYS S 47 ? 0.6132 0.5628 0.5306 0.0103 0.0037 0.0170 47 CYS a CB +24295 S SG . CYS S 47 ? 0.6747 0.6248 0.5931 0.0129 0.0021 0.0162 47 CYS a SG +24296 N N . PHE S 48 ? 0.6589 0.5981 0.5694 0.0065 0.0002 0.0177 48 PHE a N +24297 C CA . PHE S 48 ? 0.6704 0.6047 0.5776 0.0060 -0.0018 0.0175 48 PHE a CA +24298 C C . PHE S 48 ? 0.6747 0.6098 0.5843 0.0036 -0.0033 0.0180 48 PHE a C +24299 O O . PHE S 48 ? 0.6558 0.5892 0.5652 0.0035 -0.0049 0.0178 48 PHE a O +24300 C CB . PHE S 48 ? 0.6216 0.5513 0.5239 0.0059 -0.0017 0.0175 48 PHE a CB +24301 C CG . PHE S 48 ? 0.6716 0.5968 0.5711 0.0048 -0.0037 0.0173 48 PHE a CG +24302 C CD1 . PHE S 48 ? 0.6363 0.5583 0.5332 0.0062 -0.0047 0.0166 48 PHE a CD1 +24303 C CD2 . PHE S 48 ? 0.6674 0.5917 0.5668 0.0025 -0.0046 0.0177 48 PHE a CD2 +24304 C CE1 . PHE S 48 ? 0.6464 0.5643 0.5410 0.0050 -0.0064 0.0164 48 PHE a CE1 +24305 C CE2 . PHE S 48 ? 0.6360 0.5567 0.5334 0.0015 -0.0064 0.0174 48 PHE a CE2 +24306 C CZ . PHE S 48 ? 0.6792 0.5968 0.5743 0.0026 -0.0072 0.0168 48 PHE a CZ +24307 N N . VAL S 49 ? 0.6345 0.5718 0.5463 0.0018 -0.0026 0.0186 49 VAL a N +24308 C CA . VAL S 49 ? 0.6108 0.5485 0.5247 -0.0005 -0.0039 0.0191 49 VAL a CA +24309 C C . VAL S 49 ? 0.6897 0.6308 0.6076 -0.0004 -0.0046 0.0189 49 VAL a C +24310 O O . VAL S 49 ? 0.6030 0.5431 0.5213 -0.0012 -0.0062 0.0189 49 VAL a O +24311 C CB . VAL S 49 ? 0.6325 0.5713 0.5472 -0.0023 -0.0030 0.0198 49 VAL a CB +24312 C CG1 . VAL S 49 ? 0.6295 0.5694 0.5469 -0.0044 -0.0042 0.0202 49 VAL a CG1 +24313 C CG2 . VAL S 49 ? 0.6724 0.6070 0.5824 -0.0024 -0.0029 0.0198 49 VAL a CG2 +24314 N N . ILE S 50 ? 0.6564 0.6018 0.5774 0.0007 -0.0034 0.0188 50 ILE a N +24315 C CA . ILE S 50 ? 0.6790 0.6279 0.6038 0.0010 -0.0041 0.0186 50 ILE a CA +24316 C C . ILE S 50 ? 0.6618 0.6081 0.5846 0.0028 -0.0056 0.0181 50 ILE a C +24317 O O . ILE S 50 ? 0.6274 0.5736 0.5512 0.0022 -0.0071 0.0181 50 ILE a O +24318 C CB . ILE S 50 ? 0.6173 0.5715 0.5460 0.0018 -0.0025 0.0184 50 ILE a CB +24319 C CG1 . ILE S 50 ? 0.7451 0.7015 0.6757 -0.0003 -0.0010 0.0190 50 ILE a CG1 +24320 C CG2 . ILE S 50 ? 0.6145 0.5725 0.5471 0.0024 -0.0036 0.0180 50 ILE a CG2 +24321 C CD1 . ILE S 50 ? 0.6625 0.6246 0.5975 -0.0001 0.0007 0.0188 50 ILE a CD1 +24322 N N . ALA S 51 ? 0.6348 0.5788 0.5545 0.0049 -0.0051 0.0176 51 ALA a N +24323 C CA . ALA S 51 ? 0.6612 0.6021 0.5783 0.0067 -0.0063 0.0172 51 ALA a CA +24324 C C . ALA S 51 ? 0.6665 0.6027 0.5807 0.0052 -0.0079 0.0173 51 ALA a C +24325 O O . ALA S 51 ? 0.6393 0.5742 0.5532 0.0056 -0.0092 0.0172 51 ALA a O +24326 C CB . ALA S 51 ? 0.6434 0.5822 0.5572 0.0092 -0.0054 0.0167 51 ALA a CB +24327 N N . PHE S 52 ? 0.6546 0.5882 0.5666 0.0037 -0.0077 0.0176 52 PHE a N +24328 C CA . PHE S 52 ? 0.6547 0.5842 0.5643 0.0022 -0.0092 0.0176 52 PHE a CA +24329 C C . PHE S 52 ? 0.6565 0.5878 0.5691 0.0005 -0.0102 0.0179 52 PHE a C +24330 O O . PHE S 52 ? 0.6814 0.6101 0.5928 0.0000 -0.0114 0.0178 52 PHE a O +24331 C CB . PHE S 52 ? 0.5849 0.5119 0.4921 0.0008 -0.0089 0.0177 52 PHE a CB +24332 C CG . PHE S 52 ? 0.6088 0.5313 0.5130 -0.0002 -0.0102 0.0174 52 PHE a CG +24333 C CD1 . PHE S 52 ? 0.6205 0.5431 0.5261 -0.0024 -0.0113 0.0177 52 PHE a CD1 +24334 C CD2 . PHE S 52 ? 0.6147 0.5329 0.5146 0.0009 -0.0104 0.0169 52 PHE a CD2 +24335 C CE1 . PHE S 52 ? 0.5905 0.5092 0.4936 -0.0035 -0.0124 0.0174 52 PHE a CE1 +24336 C CE2 . PHE S 52 ? 0.6625 0.5765 0.5597 -0.0003 -0.0116 0.0165 52 PHE a CE2 +24337 C CZ . PHE S 52 ? 0.5860 0.5006 0.4851 -0.0025 -0.0125 0.0168 52 PHE a CZ +24338 N N . ILE S 53 ? 0.6623 0.5980 0.5789 -0.0004 -0.0096 0.0183 53 ILE a N +24339 C CA . ILE S 53 ? 0.7003 0.6377 0.6197 -0.0020 -0.0106 0.0186 53 ILE a CA +24340 C C . ILE S 53 ? 0.7441 0.6834 0.6653 -0.0007 -0.0113 0.0183 53 ILE a C +24341 O O . ILE S 53 ? 0.6399 0.5780 0.5610 -0.0013 -0.0125 0.0183 53 ILE a O +24342 C CB . ILE S 53 ? 0.6508 0.5915 0.5733 -0.0037 -0.0098 0.0190 53 ILE a CB +24343 C CG1 . ILE S 53 ? 0.6469 0.5852 0.5672 -0.0051 -0.0095 0.0193 53 ILE a CG1 +24344 C CG2 . ILE S 53 ? 0.5659 0.5088 0.4916 -0.0052 -0.0107 0.0192 53 ILE a CG2 +24345 C CD1 . ILE S 53 ? 0.6945 0.6354 0.6171 -0.0065 -0.0085 0.0199 53 ILE a CD1 +24346 N N . ALA S 54 ? 0.5636 0.5057 0.4862 0.0012 -0.0106 0.0180 54 ALA a N +24347 C CA . ALA S 54 ? 0.6166 0.5620 0.5422 0.0021 -0.0113 0.0178 54 ALA a CA +24348 C C . ALA S 54 ? 0.5927 0.5384 0.5176 0.0051 -0.0114 0.0173 54 ALA a C +24349 O O . ALA S 54 ? 0.6783 0.6271 0.6058 0.0061 -0.0121 0.0170 54 ALA a O +24350 C CB . ALA S 54 ? 0.6750 0.6259 0.6055 0.0009 -0.0106 0.0179 54 ALA a CB +24351 N N . ALA S 55 ? 0.6190 0.5618 0.5405 0.0068 -0.0107 0.0170 55 ALA a N +24352 C CA . ALA S 55 ? 0.6026 0.5460 0.5236 0.0099 -0.0107 0.0165 55 ALA a CA +24353 C C . ALA S 55 ? 0.6553 0.5956 0.5740 0.0110 -0.0124 0.0164 55 ALA a C +24354 O O . ALA S 55 ? 0.6508 0.5866 0.5666 0.0096 -0.0132 0.0166 55 ALA a O +24355 C CB . ALA S 55 ? 0.5805 0.5212 0.4980 0.0114 -0.0095 0.0162 55 ALA a CB +24356 N N . PRO S 56 ? 0.7047 0.6473 0.6249 0.0133 -0.0130 0.0160 56 PRO a N +24357 C CA . PRO S 56 ? 0.6003 0.5395 0.5179 0.0146 -0.0146 0.0159 56 PRO a CA +24358 C C . PRO S 56 ? 0.6686 0.6019 0.5806 0.0165 -0.0145 0.0157 56 PRO a C +24359 O O . PRO S 56 ? 0.6102 0.5426 0.5208 0.0171 -0.0133 0.0155 56 PRO a O +24360 C CB . PRO S 56 ? 0.6832 0.6275 0.6044 0.0168 -0.0152 0.0154 56 PRO a CB +24361 C CG . PRO S 56 ? 0.7096 0.6583 0.6336 0.0179 -0.0136 0.0151 56 PRO a CG +24362 C CD . PRO S 56 ? 0.7215 0.6702 0.6459 0.0149 -0.0122 0.0155 56 PRO a CD +24363 N N A PRO S 57 ? 0.6590 0.5877 0.5675 0.0173 -0.0158 0.0157 57 PRO a N +24364 N N B PRO S 57 ? 0.6602 0.5889 0.5687 0.0174 -0.0158 0.0157 57 PRO a N +24365 C CA A PRO S 57 ? 0.6013 0.5236 0.5041 0.0187 -0.0157 0.0156 57 PRO a CA +24366 C CA B PRO S 57 ? 0.6006 0.5229 0.5034 0.0188 -0.0157 0.0156 57 PRO a CA +24367 C C A PRO S 57 ? 0.6367 0.5597 0.5388 0.0221 -0.0150 0.0150 57 PRO a C +24368 C C B PRO S 57 ? 0.6374 0.5605 0.5395 0.0222 -0.0150 0.0150 57 PRO a C +24369 O O A PRO S 57 ? 0.6207 0.5486 0.5262 0.0242 -0.0151 0.0147 57 PRO a O +24370 O O B PRO S 57 ? 0.6207 0.5488 0.5263 0.0242 -0.0151 0.0147 57 PRO a O +24371 C CB A PRO S 57 ? 0.5681 0.4863 0.4680 0.0191 -0.0172 0.0158 57 PRO a CB +24372 C CB B PRO S 57 ? 0.5663 0.4845 0.4662 0.0192 -0.0172 0.0158 57 PRO a CB +24373 C CG A PRO S 57 ? 0.5848 0.5058 0.4880 0.0163 -0.0178 0.0162 57 PRO a CG +24374 C CG B PRO S 57 ? 0.5841 0.5051 0.4873 0.0165 -0.0178 0.0162 57 PRO a CG +24375 C CD A PRO S 57 ? 0.6311 0.5595 0.5401 0.0163 -0.0172 0.0160 57 PRO a CD +24376 C CD B PRO S 57 ? 0.6315 0.5599 0.5405 0.0165 -0.0172 0.0160 57 PRO a CD +24377 N N A VAL S 58 ? 0.5973 0.5154 0.4949 0.0228 -0.0143 0.0148 58 VAL a N +24378 N N B VAL S 58 ? 0.5973 0.5153 0.4948 0.0230 -0.0144 0.0148 58 VAL a N +24379 C CA A VAL S 58 ? 0.5927 0.5108 0.4891 0.0258 -0.0134 0.0142 58 VAL a CA +24380 C CA B VAL S 58 ? 0.5900 0.5082 0.4864 0.0259 -0.0134 0.0142 58 VAL a CA +24381 C C A VAL S 58 ? 0.6614 0.5728 0.5519 0.0281 -0.0140 0.0140 58 VAL a C +24382 C C B VAL S 58 ? 0.6636 0.5750 0.5540 0.0283 -0.0140 0.0139 58 VAL a C +24383 O O A VAL S 58 ? 0.6719 0.5772 0.5581 0.0266 -0.0144 0.0142 58 VAL a O +24384 O O B VAL S 58 ? 0.6731 0.5783 0.5592 0.0267 -0.0144 0.0141 58 VAL a O +24385 C CB A VAL S 58 ? 0.6333 0.5514 0.5292 0.0245 -0.0118 0.0141 58 VAL a CB +24386 C CB B VAL S 58 ? 0.6353 0.5536 0.5314 0.0246 -0.0118 0.0141 58 VAL a CB +24387 C CG1 A VAL S 58 ? 0.5725 0.4892 0.4659 0.0277 -0.0108 0.0135 58 VAL a CG1 +24388 C CG1 B VAL S 58 ? 0.5706 0.4873 0.4640 0.0277 -0.0108 0.0135 58 VAL a CG1 +24389 C CG2 A VAL S 58 ? 0.6004 0.5252 0.5020 0.0225 -0.0109 0.0144 58 VAL a CG2 +24390 C CG2 B VAL S 58 ? 0.6007 0.5259 0.5026 0.0227 -0.0110 0.0144 58 VAL a CG2 +24391 N N A ASP S 59 ? 0.6604 0.5730 0.5508 0.0319 -0.0140 0.0135 59 ASP a N +24392 N N B ASP S 59 ? 0.6626 0.5749 0.5527 0.0321 -0.0141 0.0135 59 ASP a N +24393 C CA A ASP S 59 ? 0.6558 0.5618 0.5404 0.0346 -0.0146 0.0132 59 ASP a CA +24394 C CA B ASP S 59 ? 0.6563 0.5620 0.5406 0.0347 -0.0147 0.0132 59 ASP a CA +24395 C C A ASP S 59 ? 0.7176 0.6197 0.5982 0.0355 -0.0133 0.0127 59 ASP a C +24396 C C B ASP S 59 ? 0.7215 0.6231 0.6018 0.0355 -0.0134 0.0127 59 ASP a C +24397 O O A ASP S 59 ? 0.6766 0.5793 0.5566 0.0388 -0.0127 0.0121 59 ASP a O +24398 O O B ASP S 59 ? 0.6770 0.5797 0.5569 0.0386 -0.0127 0.0121 59 ASP a O +24399 C CB A ASP S 59 ? 0.6848 0.5938 0.5709 0.0385 -0.0154 0.0128 59 ASP a CB +24400 C CB B ASP S 59 ? 0.6833 0.5915 0.5687 0.0387 -0.0155 0.0128 59 ASP a CB +24401 C CG A ASP S 59 ? 0.7043 0.6062 0.5841 0.0416 -0.0161 0.0126 59 ASP a CG +24402 C CG B ASP S 59 ? 0.7112 0.6121 0.5902 0.0417 -0.0161 0.0126 59 ASP a CG +24403 O OD1 A ASP S 59 ? 0.6953 0.5899 0.5699 0.0402 -0.0165 0.0129 59 ASP a OD1 +24404 O OD1 B ASP S 59 ? 0.6973 0.5911 0.5713 0.0400 -0.0165 0.0130 59 ASP a OD1 +24405 O OD2 A ASP S 59 ? 0.6994 0.6029 0.5794 0.0455 -0.0162 0.0120 59 ASP a OD2 +24406 O OD2 B ASP S 59 ? 0.7028 0.6048 0.5816 0.0456 -0.0162 0.0121 59 ASP a OD2 +24407 N N A ILE S 60 ? 0.6552 0.5528 0.5329 0.0326 -0.0131 0.0129 60 ILE a N +24408 N N B ILE S 60 ? 0.6563 0.5533 0.5336 0.0326 -0.0132 0.0129 60 ILE a N +24409 C CA A ILE S 60 ? 0.6552 0.5493 0.5295 0.0327 -0.0120 0.0124 60 ILE a CA +24410 C CA B ILE S 60 ? 0.6544 0.5482 0.5285 0.0326 -0.0121 0.0125 60 ILE a CA +24411 C C A ILE S 60 ? 0.7408 0.6295 0.6098 0.0363 -0.0120 0.0119 60 ILE a C +24412 C C B ILE S 60 ? 0.7436 0.6319 0.6123 0.0362 -0.0120 0.0119 60 ILE a C +24413 O O A ILE S 60 ? 0.6996 0.5888 0.5678 0.0386 -0.0109 0.0113 60 ILE a O +24414 O O B ILE S 60 ? 0.7007 0.5898 0.5688 0.0384 -0.0109 0.0113 60 ILE a O +24415 C CB A ILE S 60 ? 0.6765 0.5665 0.5485 0.0289 -0.0121 0.0127 60 ILE a CB +24416 C CB B ILE S 60 ? 0.6784 0.5682 0.5503 0.0288 -0.0122 0.0127 60 ILE a CB +24417 C CG1 A ILE S 60 ? 0.6433 0.5290 0.5110 0.0293 -0.0112 0.0121 60 ILE a CG1 +24418 C CG1 B ILE S 60 ? 0.6437 0.5296 0.5116 0.0291 -0.0112 0.0121 60 ILE a CG1 +24419 C CG2 A ILE S 60 ? 0.6266 0.5111 0.4953 0.0278 -0.0134 0.0130 60 ILE a CG2 +24420 C CG2 B ILE S 60 ? 0.6258 0.5098 0.4942 0.0276 -0.0134 0.0130 60 ILE a CG2 +24421 C CD1 A ILE S 60 ? 0.6291 0.5116 0.4951 0.0255 -0.0113 0.0121 60 ILE a CD1 +24422 C CD1 B ILE S 60 ? 0.6283 0.5105 0.4941 0.0254 -0.0114 0.0121 60 ILE a CD1 +24423 N N A ASP S 61 ? 0.7006 0.5837 0.5657 0.0369 -0.0132 0.0120 61 ASP a N +24424 N N B ASP S 61 ? 0.7024 0.5850 0.5671 0.0368 -0.0132 0.0120 61 ASP a N +24425 C CA A ASP S 61 ? 0.7007 0.5773 0.5598 0.0400 -0.0132 0.0115 61 ASP a CA +24426 C CA B ASP S 61 ? 0.7020 0.5779 0.5606 0.0399 -0.0132 0.0115 61 ASP a CA +24427 C C A ASP S 61 ? 0.6483 0.5269 0.5081 0.0444 -0.0137 0.0113 61 ASP a C +24428 C C B ASP S 61 ? 0.6488 0.5267 0.5080 0.0443 -0.0137 0.0113 61 ASP a C +24429 O O A ASP S 61 ? 0.7152 0.5880 0.5698 0.0472 -0.0140 0.0109 61 ASP a O +24430 O O B ASP S 61 ? 0.7181 0.5900 0.5721 0.0471 -0.0140 0.0109 61 ASP a O +24431 C CB A ASP S 61 ? 0.6620 0.5302 0.5155 0.0382 -0.0141 0.0118 61 ASP a CB +24432 C CB B ASP S 61 ? 0.6593 0.5268 0.5123 0.0381 -0.0141 0.0117 61 ASP a CB +24433 C CG A ASP S 61 ? 0.7414 0.6070 0.5936 0.0343 -0.0136 0.0117 61 ASP a CG +24434 C CG B ASP S 61 ? 0.7454 0.6101 0.5969 0.0343 -0.0136 0.0116 61 ASP a CG +24435 O OD1 A ASP S 61 ? 0.7036 0.5700 0.5556 0.0345 -0.0126 0.0112 61 ASP a OD1 +24436 O OD1 B ASP S 61 ? 0.7052 0.5709 0.5567 0.0344 -0.0126 0.0111 61 ASP a OD1 +24437 O OD2 A ASP S 61 ? 0.7582 0.6211 0.6096 0.0311 -0.0142 0.0121 61 ASP a OD2 +24438 O OD2 B ASP S 61 ? 0.7635 0.6253 0.6141 0.0312 -0.0142 0.0120 61 ASP a OD2 +24439 N N A GLY S 62 ? 0.6754 0.5622 0.5414 0.0451 -0.0138 0.0114 62 GLY a N +24440 N N B GLY S 62 ? 0.6745 0.5606 0.5400 0.0451 -0.0138 0.0114 62 GLY a N +24441 C CA A GLY S 62 ? 0.6804 0.5703 0.5479 0.0495 -0.0142 0.0110 62 GLY a CA +24442 C CA B GLY S 62 ? 0.6768 0.5659 0.5436 0.0495 -0.0141 0.0109 62 GLY a CA +24443 C C A GLY S 62 ? 0.7420 0.6283 0.6067 0.0515 -0.0159 0.0112 62 GLY a C +24444 C C B GLY S 62 ? 0.7449 0.6307 0.6092 0.0514 -0.0158 0.0112 62 GLY a C +24445 O O A GLY S 62 ? 0.7026 0.5900 0.5671 0.0556 -0.0163 0.0108 62 GLY a O +24446 O O B GLY S 62 ? 0.7032 0.5907 0.5679 0.0554 -0.0164 0.0108 62 GLY a O +24447 N N A ILE S 63 ? 0.6845 0.5666 0.5470 0.0487 -0.0168 0.0119 63 ILE a N +24448 N N B ILE S 63 ? 0.6850 0.5664 0.5469 0.0486 -0.0167 0.0119 63 ILE a N +24449 C CA A ILE S 63 ? 0.6544 0.5316 0.5131 0.0502 -0.0184 0.0123 63 ILE a CA +24450 C CA B ILE S 63 ? 0.6523 0.5289 0.5105 0.0500 -0.0183 0.0123 63 ILE a CA +24451 C C A ILE S 63 ? 0.7352 0.6171 0.5982 0.0485 -0.0195 0.0129 63 ILE a C +24452 C C B ILE S 63 ? 0.7360 0.6173 0.5985 0.0485 -0.0195 0.0129 63 ILE a C +24453 O O A ILE S 63 ? 0.7029 0.5801 0.5626 0.0480 -0.0206 0.0134 63 ILE a O +24454 O O B ILE S 63 ? 0.7048 0.5816 0.5641 0.0482 -0.0206 0.0134 63 ILE a O +24455 C CB A ILE S 63 ? 0.7554 0.6226 0.6068 0.0485 -0.0184 0.0126 63 ILE a CB +24456 C CB B ILE S 63 ? 0.7603 0.6269 0.6113 0.0482 -0.0183 0.0126 63 ILE a CB +24457 C CG1 A ILE S 63 ? 0.6945 0.5618 0.5473 0.0434 -0.0177 0.0129 63 ILE a CG1 +24458 C CG1 B ILE S 63 ? 0.6955 0.5623 0.5480 0.0431 -0.0177 0.0129 63 ILE a CG1 +24459 C CG2 A ILE S 63 ? 0.6687 0.5301 0.5146 0.0513 -0.0176 0.0119 63 ILE a CG2 +24460 C CG2 B ILE S 63 ? 0.6649 0.5256 0.5105 0.0507 -0.0175 0.0119 63 ILE a CG2 +24461 C CD1 A ILE S 63 ? 0.6765 0.5349 0.5233 0.0409 -0.0179 0.0133 63 ILE a CD1 +24462 C CD1 B ILE S 63 ? 0.6704 0.5282 0.5168 0.0407 -0.0177 0.0132 63 ILE a CD1 +24463 N N A ARG S 64 ? 0.6962 0.5869 0.5663 0.0476 -0.0192 0.0127 64 ARG a N +24464 N N B ARG S 64 ? 0.6984 0.5886 0.5680 0.0475 -0.0191 0.0127 64 ARG a N +24465 C CA A ARG S 64 ? 0.6472 0.5430 0.5218 0.0461 -0.0203 0.0132 64 ARG a CA +24466 C CA B ARG S 64 ? 0.6472 0.5424 0.5213 0.0461 -0.0202 0.0132 64 ARG a CA +24467 C C A ARG S 64 ? 0.7291 0.6206 0.6016 0.0421 -0.0206 0.0139 64 ARG a C +24468 C C B ARG S 64 ? 0.7316 0.6226 0.6037 0.0421 -0.0206 0.0139 64 ARG a C +24469 O O A ARG S 64 ? 0.6891 0.5793 0.5608 0.0419 -0.0219 0.0144 64 ARG a O +24470 O O B ARG S 64 ? 0.6898 0.5793 0.5609 0.0419 -0.0219 0.0144 64 ARG a O +24471 C CB A ARG S 64 ? 0.6437 0.5407 0.5183 0.0499 -0.0220 0.0130 64 ARG a CB +24472 C CB B ARG S 64 ? 0.6462 0.5425 0.5203 0.0500 -0.0219 0.0130 64 ARG a CB +24473 C CG A ARG S 64 ? 0.6452 0.5446 0.5203 0.0545 -0.0217 0.0121 64 ARG a CG +24474 C CG B ARG S 64 ? 0.6456 0.5445 0.5204 0.0545 -0.0216 0.0121 64 ARG a CG +24475 C CD A ARG S 64 ? 0.6611 0.5695 0.5434 0.0540 -0.0204 0.0116 64 ARG a CD +24476 C CD B ARG S 64 ? 0.6621 0.5701 0.5440 0.0541 -0.0204 0.0116 64 ARG a CD +24477 N NE A ARG S 64 ? 0.7056 0.6162 0.5883 0.0582 -0.0198 0.0107 64 ARG a NE +24478 N NE B ARG S 64 ? 0.7069 0.6172 0.5893 0.0583 -0.0198 0.0107 64 ARG a NE +24479 C CZ A ARG S 64 ? 0.7256 0.6403 0.6106 0.0621 -0.0209 0.0102 64 ARG a CZ +24480 C CZ B ARG S 64 ? 0.7283 0.6427 0.6130 0.0622 -0.0209 0.0102 64 ARG a CZ +24481 N NH1 A ARG S 64 ? 0.6489 0.5656 0.5355 0.0625 -0.0228 0.0104 64 ARG a NH1 +24482 N NH1 B ARG S 64 ? 0.6485 0.5647 0.5347 0.0626 -0.0229 0.0104 64 ARG a NH1 +24483 N NH2 A ARG S 64 ? 0.6326 0.5495 0.5182 0.0657 -0.0200 0.0093 64 ARG a NH2 +24484 N NH2 B ARG S 64 ? 0.6323 0.5492 0.5179 0.0658 -0.0201 0.0093 64 ARG a NH2 +24485 N N A GLU S 65 ? 0.6961 0.5852 0.5674 0.0390 -0.0194 0.0140 65 GLU a N +24486 N N B GLU S 65 ? 0.6957 0.5845 0.5668 0.0389 -0.0194 0.0140 65 GLU a N +24487 C CA A GLU S 65 ? 0.7798 0.6652 0.6495 0.0350 -0.0195 0.0146 65 GLU a CA +24488 C CA B GLU S 65 ? 0.7827 0.6678 0.6522 0.0350 -0.0195 0.0146 65 GLU a CA +24489 C C A GLU S 65 ? 0.7004 0.5905 0.5746 0.0316 -0.0185 0.0147 65 GLU a C +24490 C C B GLU S 65 ? 0.7013 0.5911 0.5753 0.0316 -0.0185 0.0147 65 GLU a C +24491 O O A GLU S 65 ? 0.7325 0.6197 0.6047 0.0299 -0.0176 0.0145 65 GLU a O +24492 O O B GLU S 65 ? 0.7346 0.6214 0.6065 0.0300 -0.0175 0.0145 65 GLU a O +24493 C CB A GLU S 65 ? 0.6787 0.5547 0.5412 0.0348 -0.0193 0.0147 65 GLU a CB +24494 C CB B GLU S 65 ? 0.6769 0.5526 0.5391 0.0348 -0.0193 0.0147 65 GLU a CB +24495 C CG A GLU S 65 ? 0.7378 0.6095 0.5981 0.0311 -0.0195 0.0152 65 GLU a CG +24496 C CG B GLU S 65 ? 0.7377 0.6092 0.5979 0.0310 -0.0195 0.0152 65 GLU a CG +24497 C CD A GLU S 65 ? 0.9386 0.8015 0.7924 0.0302 -0.0190 0.0151 65 GLU a CD +24498 C CD B GLU S 65 ? 0.9433 0.8060 0.7969 0.0303 -0.0190 0.0151 65 GLU a CD +24499 O OE1 A GLU S 65 ? 0.8448 0.7021 0.6934 0.0331 -0.0192 0.0149 65 GLU a OE1 +24500 O OE1 B GLU S 65 ? 0.8475 0.7050 0.6962 0.0334 -0.0192 0.0149 65 GLU a OE1 +24501 O OE2 A GLU S 65 ? 0.9675 0.8291 0.8213 0.0266 -0.0184 0.0152 65 GLU a OE2 +24502 O OE2 B GLU S 65 ? 0.9755 0.8364 0.8288 0.0268 -0.0184 0.0151 65 GLU a OE2 +24503 N N A PRO S 66 ? 0.6985 0.5957 0.5786 0.0306 -0.0187 0.0148 66 PRO a N +24504 N N B PRO S 66 ? 0.6964 0.5932 0.5762 0.0305 -0.0187 0.0148 66 PRO a N +24505 C CA A PRO S 66 ? 0.7184 0.6205 0.6029 0.0279 -0.0176 0.0148 66 PRO a CA +24506 C CA B PRO S 66 ? 0.7199 0.6216 0.6041 0.0278 -0.0176 0.0148 66 PRO a CA +24507 C C A PRO S 66 ? 0.7240 0.6229 0.6072 0.0240 -0.0174 0.0152 66 PRO a C +24508 C C B PRO S 66 ? 0.7255 0.6239 0.6083 0.0239 -0.0174 0.0152 66 PRO a C +24509 O O A PRO S 66 ? 0.6679 0.5641 0.5497 0.0224 -0.0182 0.0156 66 PRO a O +24510 O O B PRO S 66 ? 0.6685 0.5642 0.5499 0.0223 -0.0182 0.0156 66 PRO a O +24511 C CB A PRO S 66 ? 0.6804 0.5902 0.5711 0.0278 -0.0182 0.0149 66 PRO a CB +24512 C CB B PRO S 66 ? 0.6806 0.5899 0.5710 0.0277 -0.0181 0.0149 66 PRO a CB +24513 C CG A PRO S 66 ? 0.7283 0.6382 0.6182 0.0313 -0.0194 0.0147 66 PRO a CG +24514 C CG B PRO S 66 ? 0.7295 0.6391 0.6191 0.0314 -0.0193 0.0147 66 PRO a CG +24515 C CD A PRO S 66 ? 0.6588 0.5600 0.5418 0.0319 -0.0200 0.0149 66 PRO a CD +24516 C CD B PRO S 66 ? 0.6586 0.5597 0.5415 0.0320 -0.0199 0.0149 66 PRO a CD +24517 N N A VAL S 67 ? 0.6360 0.5352 0.5195 0.0225 -0.0163 0.0150 67 VAL a N +24518 N N B VAL S 67 ? 0.6328 0.5315 0.5159 0.0223 -0.0163 0.0150 67 VAL a N +24519 C CA A VAL S 67 ? 0.6164 0.5132 0.4991 0.0189 -0.0161 0.0153 67 VAL a CA +24520 C CA B VAL S 67 ? 0.6148 0.5113 0.4973 0.0187 -0.0161 0.0153 67 VAL a CA +24521 C C A VAL S 67 ? 0.6900 0.5932 0.5783 0.0166 -0.0158 0.0156 67 VAL a C +24522 C C B VAL S 67 ? 0.6918 0.5948 0.5800 0.0165 -0.0158 0.0156 67 VAL a C +24523 O O A VAL S 67 ? 0.7060 0.6139 0.5974 0.0173 -0.0150 0.0154 67 VAL a O +24524 O O B VAL S 67 ? 0.7086 0.6164 0.5999 0.0173 -0.0150 0.0154 67 VAL a O +24525 C CB A VAL S 67 ? 0.6661 0.5586 0.5450 0.0188 -0.0153 0.0148 67 VAL a CB +24526 C CB B VAL S 67 ? 0.6683 0.5605 0.5470 0.0184 -0.0153 0.0148 67 VAL a CB +24527 C CG1 A VAL S 67 ? 0.6668 0.5577 0.5454 0.0151 -0.0152 0.0149 67 VAL a CG1 +24528 C CG1 B VAL S 67 ? 0.6678 0.5586 0.5465 0.0147 -0.0152 0.0150 67 VAL a CG1 +24529 C CG2 A VAL S 67 ? 0.6475 0.5329 0.5203 0.0209 -0.0156 0.0145 67 VAL a CG2 +24530 C CG2 B VAL S 67 ? 0.6455 0.5306 0.5182 0.0205 -0.0156 0.0145 67 VAL a CG2 +24531 N N A SER S 68 ? 0.6348 0.5379 0.5241 0.0137 -0.0163 0.0160 68 SER a N +24532 N N B SER S 68 ? 0.6334 0.5365 0.5228 0.0136 -0.0163 0.0160 68 SER a N +24533 C CA A SER S 68 ? 0.6824 0.5909 0.5767 0.0115 -0.0161 0.0163 68 SER a CA +24534 C CA B SER S 68 ? 0.6825 0.5911 0.5769 0.0115 -0.0160 0.0163 68 SER a CA +24535 C C A SER S 68 ? 0.6706 0.5786 0.5647 0.0094 -0.0153 0.0162 68 SER a C +24536 C C B SER S 68 ? 0.6709 0.5790 0.5650 0.0094 -0.0152 0.0162 68 SER a C +24537 O O A SER S 68 ? 0.6731 0.5767 0.5642 0.0078 -0.0154 0.0161 68 SER a O +24538 O O B SER S 68 ? 0.6726 0.5763 0.5638 0.0077 -0.0154 0.0161 68 SER a O +24539 C CB A SER S 68 ? 0.6843 0.5930 0.5798 0.0096 -0.0170 0.0167 68 SER a CB +24540 C CB B SER S 68 ? 0.6859 0.5949 0.5816 0.0095 -0.0169 0.0167 68 SER a CB +24541 O OG A SER S 68 ? 0.8099 0.7230 0.7096 0.0072 -0.0167 0.0170 68 SER a OG +24542 O OG B SER S 68 ? 0.8118 0.7254 0.7118 0.0072 -0.0167 0.0170 68 SER a OG +24543 N N A GLY S 69 ? 0.6831 0.5956 0.5803 0.0095 -0.0144 0.0162 69 GLY a N +24544 N N B GLY S 69 ? 0.6849 0.5974 0.5821 0.0095 -0.0144 0.0162 69 GLY a N +24545 C CA A GLY S 69 ? 0.5934 0.5054 0.4901 0.0078 -0.0137 0.0161 69 GLY a CA +24546 C CA B GLY S 69 ? 0.5907 0.5027 0.4874 0.0078 -0.0137 0.0161 69 GLY a CA +24547 C C A GLY S 69 ? 0.7126 0.6284 0.6131 0.0052 -0.0136 0.0166 69 GLY a C +24548 C C B GLY S 69 ? 0.7159 0.6318 0.6164 0.0052 -0.0136 0.0166 69 GLY a C +24549 O O A GLY S 69 ? 0.6717 0.5861 0.5713 0.0034 -0.0134 0.0166 69 GLY a O +24550 O O B GLY S 69 ? 0.6727 0.5873 0.5724 0.0034 -0.0134 0.0166 69 GLY a O +24551 N N . SER S 70 ? 0.6082 0.5287 0.5129 0.0051 -0.0137 0.0169 70 SER a N +24552 C CA . SER S 70 ? 0.6390 0.5635 0.5475 0.0031 -0.0134 0.0173 70 SER a CA +24553 C C . SER S 70 ? 0.6185 0.5425 0.5279 0.0007 -0.0143 0.0176 70 SER a C +24554 O O . SER S 70 ? 0.5856 0.5072 0.4935 0.0007 -0.0152 0.0175 70 SER a O +24555 C CB . SER S 70 ? 0.5904 0.5206 0.5030 0.0041 -0.0128 0.0173 70 SER a CB +24556 O OG . SER S 70 ? 0.6602 0.5920 0.5747 0.0044 -0.0138 0.0173 70 SER a OG +24557 N N . LEU S 71 ? 0.6103 0.5364 0.5219 -0.0013 -0.0140 0.0179 71 LEU a N +24558 C CA . LEU S 71 ? 0.6503 0.5761 0.5629 -0.0036 -0.0147 0.0181 71 LEU a CA +24559 C C . LEU S 71 ? 0.6851 0.6131 0.6001 -0.0037 -0.0154 0.0183 71 LEU a C +24560 O O . LEU S 71 ? 0.6832 0.6094 0.5975 -0.0047 -0.0162 0.0183 71 LEU a O +24561 C CB . LEU S 71 ? 0.5863 0.5139 0.5007 -0.0054 -0.0143 0.0184 71 LEU a CB +24562 C CG . LEU S 71 ? 0.7317 0.6572 0.6436 -0.0057 -0.0138 0.0183 71 LEU a CG +24563 C CD1 . LEU S 71 ? 0.6278 0.5554 0.5417 -0.0073 -0.0134 0.0187 71 LEU a CD1 +24564 C CD2 . LEU S 71 ? 0.6090 0.5299 0.5175 -0.0063 -0.0145 0.0179 71 LEU a CD2 +24565 N N . LEU S 72 ? 0.6255 0.5578 0.5436 -0.0026 -0.0151 0.0183 72 LEU a N +24566 C CA . LEU S 72 ? 0.6280 0.5626 0.5485 -0.0027 -0.0159 0.0184 72 LEU a CA +24567 C C . LEU S 72 ? 0.7147 0.6466 0.6327 -0.0010 -0.0168 0.0181 72 LEU a C +24568 O O . LEU S 72 ? 0.7244 0.6567 0.6432 -0.0013 -0.0177 0.0182 72 LEU a O +24569 C CB . LEU S 72 ? 0.7749 0.7148 0.6993 -0.0020 -0.0154 0.0183 72 LEU a CB +24570 C CG . LEU S 72 ? 1.0389 0.9818 0.9664 -0.0042 -0.0148 0.0186 72 LEU a CG +24571 C CD1 . LEU S 72 ? 0.7803 0.7281 0.7115 -0.0036 -0.0139 0.0185 72 LEU a CD1 +24572 C CD2 . LEU S 72 ? 0.8206 0.7637 0.7495 -0.0060 -0.0157 0.0188 72 LEU a CD2 +24573 N N . TYR S 73 ? 0.6803 0.6092 0.5950 0.0008 -0.0166 0.0179 73 TYR a N +24574 C CA . TYR S 73 ? 0.6560 0.5815 0.5676 0.0024 -0.0174 0.0178 73 TYR a CA +24575 C C . TYR S 73 ? 0.6940 0.6137 0.6015 0.0014 -0.0176 0.0178 73 TYR a C +24576 O O . TYR S 73 ? 0.6524 0.5680 0.5561 0.0029 -0.0177 0.0176 73 TYR a O +24577 C CB . TYR S 73 ? 0.6225 0.5483 0.5332 0.0054 -0.0171 0.0174 73 TYR a CB +24578 C CG . TYR S 73 ? 0.6598 0.5914 0.5747 0.0068 -0.0172 0.0172 73 TYR a CG +24579 C CD1 . TYR S 73 ? 0.6334 0.5698 0.5522 0.0059 -0.0162 0.0173 73 TYR a CD1 +24580 C CD2 . TYR S 73 ? 0.7485 0.6808 0.6635 0.0089 -0.0182 0.0170 73 TYR a CD2 +24581 C CE1 . TYR S 73 ? 0.7578 0.6996 0.6807 0.0069 -0.0162 0.0170 73 TYR a CE1 +24582 C CE2 . TYR S 73 ? 0.6913 0.6293 0.6104 0.0101 -0.0183 0.0167 73 TYR a CE2 +24583 C CZ . TYR S 73 ? 0.8179 0.7607 0.7412 0.0090 -0.0173 0.0167 73 TYR a CZ +24584 O OH . TYR S 73 ? 0.8513 0.7999 0.7790 0.0100 -0.0174 0.0163 73 TYR a OH +24585 N N . GLY S 74 ? 0.6420 0.5612 0.5501 -0.0013 -0.0175 0.0180 74 GLY a N +24586 C CA . GLY S 74 ? 0.6641 0.5785 0.5690 -0.0026 -0.0178 0.0180 74 GLY a CA +24587 C C . GLY S 74 ? 0.7034 0.6148 0.6059 -0.0033 -0.0173 0.0177 74 GLY a C +24588 O O . GLY S 74 ? 0.7231 0.6298 0.6221 -0.0038 -0.0174 0.0175 74 GLY a O +24589 N N . ASN S 75 ? 0.6909 0.6044 0.5947 -0.0035 -0.0167 0.0176 75 ASN a N +24590 C CA . ASN S 75 ? 0.6028 0.5134 0.5041 -0.0042 -0.0164 0.0173 75 ASN a CA +24591 C C . ASN S 75 ? 0.6943 0.6066 0.5977 -0.0065 -0.0164 0.0174 75 ASN a C +24592 O O . ASN S 75 ? 0.6601 0.5763 0.5670 -0.0073 -0.0163 0.0177 75 ASN a O +24593 C CB . ASN S 75 ? 0.6373 0.5483 0.5376 -0.0022 -0.0157 0.0171 75 ASN a CB +24594 C CG . ASN S 75 ? 0.7129 0.6204 0.6098 0.0001 -0.0157 0.0168 75 ASN a CG +24595 O OD1 . ASN S 75 ? 0.6609 0.5636 0.5540 -0.0001 -0.0158 0.0164 75 ASN a OD1 +24596 N ND2 . ASN S 75 ? 0.6318 0.5415 0.5299 0.0022 -0.0158 0.0169 75 ASN a ND2 +24597 N N . ASN S 76 ? 0.6380 0.5473 0.5392 -0.0077 -0.0165 0.0170 76 ASN a N +24598 C CA . ASN S 76 ? 0.6399 0.5508 0.5428 -0.0095 -0.0165 0.0170 76 ASN a CA +24599 C C . ASN S 76 ? 0.6623 0.5727 0.5636 -0.0087 -0.0161 0.0167 76 ASN a C +24600 O O . ASN S 76 ? 0.6589 0.5684 0.5584 -0.0067 -0.0156 0.0166 76 ASN a O +24601 C CB . ASN S 76 ? 0.6132 0.5220 0.5156 -0.0116 -0.0171 0.0167 76 ASN a CB +24602 C CG . ASN S 76 ? 0.6761 0.5800 0.5745 -0.0117 -0.0173 0.0161 76 ASN a CG +24603 O OD1 . ASN S 76 ? 0.6816 0.5838 0.5777 -0.0106 -0.0171 0.0158 76 ASN a OD1 +24604 N ND2 . ASN S 76 ? 0.6037 0.5054 0.5014 -0.0132 -0.0175 0.0159 76 ASN a ND2 +24605 N N . ILE S 77 ? 0.6636 0.5745 0.5653 -0.0100 -0.0163 0.0166 77 ILE a N +24606 C CA . ILE S 77 ? 0.6044 0.5147 0.5044 -0.0093 -0.0159 0.0164 77 ILE a CA +24607 C C . ILE S 77 ? 0.6429 0.5488 0.5387 -0.0085 -0.0160 0.0157 77 ILE a C +24608 O O . ILE S 77 ? 0.6582 0.5632 0.5520 -0.0069 -0.0154 0.0156 77 ILE a O +24609 C CB . ILE S 77 ? 0.7087 0.6201 0.6097 -0.0109 -0.0164 0.0164 77 ILE a CB +24610 C CG1 . ILE S 77 ? 0.6855 0.6010 0.5901 -0.0113 -0.0160 0.0171 77 ILE a CG1 +24611 C CG2 . ILE S 77 ? 0.5965 0.5061 0.4947 -0.0103 -0.0163 0.0160 77 ILE a CG2 +24612 C CD1 . ILE S 77 ? 0.7981 0.7155 0.7030 -0.0098 -0.0149 0.0176 77 ILE a CD1 +24613 N N . ILE S 78 ? 0.6777 0.5806 0.5721 -0.0097 -0.0167 0.0153 78 ILE a N +24614 C CA . ILE S 78 ? 0.6147 0.5130 0.5051 -0.0094 -0.0169 0.0145 78 ILE a CA +24615 C C . ILE S 78 ? 0.7259 0.6220 0.6141 -0.0073 -0.0164 0.0146 78 ILE a C +24616 O O . ILE S 78 ? 0.6439 0.5367 0.5286 -0.0060 -0.0162 0.0141 78 ILE a O +24617 C CB . ILE S 78 ? 0.6052 0.5011 0.4951 -0.0117 -0.0177 0.0140 78 ILE a CB +24618 C CG1 . ILE S 78 ? 0.5800 0.4784 0.4722 -0.0135 -0.0183 0.0139 78 ILE a CG1 +24619 C CG2 . ILE S 78 ? 0.5754 0.4662 0.4610 -0.0117 -0.0179 0.0132 78 ILE a CG2 +24620 C CD1 . ILE S 78 ? 0.5806 0.4784 0.4711 -0.0130 -0.0185 0.0135 78 ILE a CD1 +24621 N N A THR S 79 ? 0.6484 0.5462 0.5385 -0.0067 -0.0163 0.0151 79 THR a N +24622 N N B THR S 79 ? 0.6490 0.5467 0.5390 -0.0067 -0.0163 0.0151 79 THR a N +24623 C CA A THR S 79 ? 0.6437 0.5393 0.5315 -0.0046 -0.0160 0.0151 79 THR a CA +24624 C CA B THR S 79 ? 0.6437 0.5392 0.5315 -0.0046 -0.0160 0.0151 79 THR a CA +24625 C C A THR S 79 ? 0.6570 0.5558 0.5462 -0.0022 -0.0153 0.0154 79 THR a C +24626 C C B THR S 79 ? 0.6581 0.5568 0.5472 -0.0022 -0.0153 0.0154 79 THR a C +24627 O O A THR S 79 ? 0.7069 0.6037 0.5938 0.0001 -0.0151 0.0153 79 THR a O +24628 O O B THR S 79 ? 0.7092 0.6060 0.5961 0.0001 -0.0151 0.0153 79 THR a O +24629 C CB A THR S 79 ? 0.6402 0.5349 0.5284 -0.0050 -0.0164 0.0155 79 THR a CB +24630 C CB B THR S 79 ? 0.6411 0.5359 0.5294 -0.0051 -0.0164 0.0155 79 THR a CB +24631 O OG1 A THR S 79 ? 0.6329 0.5324 0.5251 -0.0049 -0.0163 0.0161 79 THR a OG1 +24632 O OG1 B THR S 79 ? 0.6319 0.5314 0.5241 -0.0050 -0.0164 0.0161 79 THR a OG1 +24633 C CG2 A THR S 79 ? 0.5920 0.4843 0.4796 -0.0078 -0.0168 0.0152 79 THR a CG2 +24634 C CG2 B THR S 79 ? 0.5917 0.4840 0.4794 -0.0078 -0.0168 0.0152 79 THR a CG2 +24635 N N A GLY S 80 ? 0.6207 0.5241 0.5134 -0.0025 -0.0150 0.0158 80 GLY a N +24636 N N B GLY S 80 ? 0.6196 0.5231 0.5124 -0.0025 -0.0150 0.0158 80 GLY a N +24637 C CA A GLY S 80 ? 0.6118 0.5188 0.5064 -0.0005 -0.0142 0.0161 80 GLY a CA +24638 C CA B GLY S 80 ? 0.6114 0.5183 0.5059 -0.0005 -0.0142 0.0161 80 GLY a CA +24639 C C A GLY S 80 ? 0.7093 0.6149 0.6012 0.0013 -0.0134 0.0157 80 GLY a C +24640 C C B GLY S 80 ? 0.7121 0.6176 0.6040 0.0013 -0.0134 0.0157 80 GLY a C +24641 O O A GLY S 80 ? 0.6507 0.5535 0.5399 0.0007 -0.0134 0.0153 80 GLY a O +24642 O O B GLY S 80 ? 0.6512 0.5541 0.5405 0.0006 -0.0135 0.0153 80 GLY a O +24643 N N A ALA S 81 ? 0.6339 0.5418 0.5267 0.0036 -0.0127 0.0158 81 ALA a N +24644 N N B ALA S 81 ? 0.6342 0.5419 0.5268 0.0036 -0.0127 0.0157 81 ALA a N +24645 C CA A ALA S 81 ? 0.6123 0.5194 0.5029 0.0056 -0.0117 0.0154 81 ALA a CA +24646 C CA B ALA S 81 ? 0.6123 0.5192 0.5028 0.0056 -0.0117 0.0154 81 ALA a CA +24647 C C A ALA S 81 ? 0.6936 0.6055 0.5873 0.0076 -0.0108 0.0156 81 ALA a C +24648 C C B ALA S 81 ? 0.6954 0.6070 0.5890 0.0076 -0.0108 0.0156 81 ALA a C +24649 O O A ALA S 81 ? 0.6984 0.6131 0.5951 0.0078 -0.0111 0.0159 81 ALA a O +24650 O O B ALA S 81 ? 0.7012 0.6158 0.5978 0.0078 -0.0112 0.0159 81 ALA a O +24651 C CB A ALA S 81 ? 0.6031 0.5045 0.4888 0.0071 -0.0120 0.0147 81 ALA a CB +24652 C CB B ALA S 81 ? 0.6022 0.5034 0.4878 0.0071 -0.0120 0.0147 81 ALA a CB +24653 N N A VAL S 82 ? 0.6126 0.5253 0.5056 0.0090 -0.0095 0.0154 82 VAL a N +24654 N N B VAL S 82 ? 0.6128 0.5254 0.5057 0.0090 -0.0096 0.0153 82 VAL a N +24655 C CA A VAL S 82 ? 0.6514 0.5674 0.5461 0.0116 -0.0085 0.0152 82 VAL a CA +24656 C CA B VAL S 82 ? 0.6523 0.5681 0.5468 0.0116 -0.0086 0.0152 82 VAL a CA +24657 C C A VAL S 82 ? 0.6801 0.5918 0.5706 0.0142 -0.0087 0.0146 82 VAL a C +24658 C C B VAL S 82 ? 0.6825 0.5940 0.5729 0.0142 -0.0087 0.0146 82 VAL a C +24659 O O A VAL S 82 ? 0.6458 0.5532 0.5320 0.0145 -0.0084 0.0142 82 VAL a O +24660 O O B VAL S 82 ? 0.6465 0.5539 0.5327 0.0146 -0.0084 0.0142 82 VAL a O +24661 C CB A VAL S 82 ? 0.6962 0.6156 0.5924 0.0119 -0.0068 0.0153 82 VAL a CB +24662 C CB B VAL S 82 ? 0.6978 0.6170 0.5938 0.0119 -0.0069 0.0153 82 VAL a CB +24663 C CG1 A VAL S 82 ? 0.6190 0.5419 0.5170 0.0147 -0.0058 0.0151 82 VAL a CG1 +24664 C CG1 B VAL S 82 ? 0.6185 0.5412 0.5164 0.0147 -0.0058 0.0150 82 VAL a CG1 +24665 C CG2 A VAL S 82 ? 0.6371 0.5605 0.5373 0.0093 -0.0067 0.0160 82 VAL a CG2 +24666 C CG2 B VAL S 82 ? 0.6381 0.5613 0.5381 0.0093 -0.0067 0.0160 82 VAL a CG2 +24667 N N A VAL S 83 ? 0.6195 0.5318 0.5108 0.0160 -0.0092 0.0145 83 VAL a N +24668 N N B VAL S 83 ? 0.6182 0.5304 0.5094 0.0160 -0.0092 0.0145 83 VAL a N +24669 C CA A VAL S 83 ? 0.6236 0.5310 0.5106 0.0182 -0.0097 0.0140 83 VAL a CA +24670 C CA B VAL S 83 ? 0.6239 0.5312 0.5108 0.0183 -0.0097 0.0140 83 VAL a CA +24671 C C A VAL S 83 ? 0.6374 0.5456 0.5234 0.0214 -0.0084 0.0135 83 VAL a C +24672 C C B VAL S 83 ? 0.6386 0.5466 0.5244 0.0215 -0.0085 0.0135 83 VAL a C +24673 O O A VAL S 83 ? 0.6517 0.5655 0.5416 0.0225 -0.0076 0.0136 83 VAL a O +24674 O O B VAL S 83 ? 0.6526 0.5664 0.5425 0.0227 -0.0076 0.0135 83 VAL a O +24675 C CB A VAL S 83 ? 0.7550 0.6626 0.6430 0.0190 -0.0109 0.0142 83 VAL a CB +24676 C CB B VAL S 83 ? 0.7586 0.6663 0.6468 0.0190 -0.0109 0.0142 83 VAL a CB +24677 C CG1 A VAL S 83 ? 0.5932 0.4955 0.4765 0.0216 -0.0114 0.0138 83 VAL a CG1 +24678 C CG1 B VAL S 83 ? 0.5917 0.4941 0.4751 0.0216 -0.0114 0.0138 83 VAL a CG1 +24679 C CG2 A VAL S 83 ? 0.6137 0.5206 0.5027 0.0158 -0.0120 0.0147 83 VAL a CG2 +24680 C CG2 B VAL S 83 ? 0.6128 0.5198 0.5019 0.0158 -0.0120 0.0147 83 VAL a CG2 +24681 N N A PRO S 84 ? 0.6411 0.5438 0.5218 0.0228 -0.0083 0.0129 84 PRO a N +24682 N N B PRO S 84 ? 0.6412 0.5437 0.5218 0.0229 -0.0083 0.0129 84 PRO a N +24683 C CA A PRO S 84 ? 0.7027 0.6058 0.5821 0.0261 -0.0070 0.0124 84 PRO a CA +24684 C CA B PRO S 84 ? 0.7040 0.6069 0.5833 0.0262 -0.0071 0.0123 84 PRO a CA +24685 C C A PRO S 84 ? 0.7006 0.6070 0.5825 0.0291 -0.0071 0.0122 84 PRO a C +24686 C C B PRO S 84 ? 0.7015 0.6077 0.5832 0.0291 -0.0072 0.0122 84 PRO a C +24687 O O A PRO S 84 ? 0.6871 0.5938 0.5702 0.0291 -0.0084 0.0125 84 PRO a O +24688 O O B PRO S 84 ? 0.6901 0.5963 0.5728 0.0291 -0.0085 0.0125 84 PRO a O +24689 C CB A PRO S 84 ? 0.6196 0.5148 0.4923 0.0269 -0.0074 0.0117 84 PRO a CB +24690 C CB B PRO S 84 ? 0.6177 0.5127 0.4903 0.0269 -0.0074 0.0117 84 PRO a CB +24691 C CG A PRO S 84 ? 0.6928 0.5851 0.5642 0.0233 -0.0082 0.0120 84 PRO a CG +24692 C CG B PRO S 84 ? 0.6942 0.5865 0.5656 0.0233 -0.0082 0.0120 84 PRO a CG +24693 C CD A PRO S 84 ? 0.6641 0.5602 0.5401 0.0211 -0.0091 0.0127 84 PRO a CD +24694 C CD B PRO S 84 ? 0.6649 0.5608 0.5407 0.0212 -0.0091 0.0127 84 PRO a CD +24695 N N A SER S 85 ? 0.6462 0.5554 0.5288 0.0318 -0.0057 0.0118 85 SER a N +24696 N N B SER S 85 ? 0.6468 0.5559 0.5295 0.0318 -0.0058 0.0118 85 SER a N +24697 C CA A SER S 85 ? 0.7501 0.6637 0.6359 0.0347 -0.0057 0.0115 85 SER a CA +24698 C CA B SER S 85 ? 0.7527 0.6661 0.6385 0.0348 -0.0058 0.0115 85 SER a CA +24699 C C A SER S 85 ? 0.7243 0.6326 0.6057 0.0377 -0.0068 0.0111 85 SER a C +24700 C C B SER S 85 ? 0.7252 0.6332 0.6064 0.0378 -0.0068 0.0111 85 SER a C +24701 O O A SER S 85 ? 0.6639 0.5652 0.5395 0.0380 -0.0070 0.0108 85 SER a O +24702 O O B SER S 85 ? 0.6634 0.5644 0.5388 0.0380 -0.0070 0.0108 85 SER a O +24703 C CB A SER S 85 ? 0.6798 0.5990 0.5687 0.0365 -0.0037 0.0112 85 SER a CB +24704 C CB B SER S 85 ? 0.6806 0.5993 0.5692 0.0366 -0.0038 0.0111 85 SER a CB +24705 O OG A SER S 85 ? 0.7449 0.6600 0.6292 0.0379 -0.0025 0.0106 85 SER a OG +24706 O OG B SER S 85 ? 0.7468 0.6613 0.6307 0.0376 -0.0027 0.0107 85 SER a OG +24707 N N A SER S 86 ? 0.6923 0.6039 0.5764 0.0401 -0.0074 0.0110 86 SER a N +24708 N N B SER S 86 ? 0.6932 0.6045 0.5771 0.0401 -0.0075 0.0110 86 SER a N +24709 C CA A SER S 86 ? 0.6804 0.5873 0.5607 0.0427 -0.0088 0.0108 86 SER a CA +24710 C CA B SER S 86 ? 0.6794 0.5858 0.5594 0.0427 -0.0089 0.0108 86 SER a CA +24711 C C A SER S 86 ? 0.7105 0.6121 0.5854 0.0458 -0.0081 0.0100 86 SER a C +24712 C C B SER S 86 ? 0.7124 0.6136 0.5870 0.0459 -0.0082 0.0100 86 SER a C +24713 O O A SER S 86 ? 0.7056 0.6100 0.5814 0.0478 -0.0066 0.0095 86 SER a O +24714 O O B SER S 86 ? 0.7066 0.6107 0.5822 0.0477 -0.0067 0.0095 86 SER a O +24715 C CB A SER S 86 ? 0.6903 0.6027 0.5750 0.0450 -0.0096 0.0107 86 SER a CB +24716 C CB B SER S 86 ? 0.6923 0.6042 0.5767 0.0450 -0.0097 0.0107 86 SER a CB +24717 O OG A SER S 86 ? 0.7060 0.6136 0.5864 0.0483 -0.0108 0.0104 86 SER a OG +24718 O OG B SER S 86 ? 0.7096 0.6166 0.5897 0.0481 -0.0110 0.0105 86 SER a OG +24719 N N A ASN S 87 ? 0.6757 0.5694 0.5447 0.0464 -0.0093 0.0100 87 ASN a N +24720 N N B ASN S 87 ? 0.6755 0.5688 0.5441 0.0465 -0.0093 0.0100 87 ASN a N +24721 C CA A ASN S 87 ? 0.6804 0.5683 0.5436 0.0497 -0.0089 0.0093 87 ASN a CA +24722 C CA B ASN S 87 ? 0.6806 0.5680 0.5434 0.0497 -0.0089 0.0093 87 ASN a CA +24723 C C A ASN S 87 ? 0.7402 0.6319 0.6052 0.0544 -0.0086 0.0087 87 ASN a C +24724 C C B ASN S 87 ? 0.7421 0.6332 0.6067 0.0544 -0.0086 0.0087 87 ASN a C +24725 O O A ASN S 87 ? 0.7373 0.6267 0.5992 0.0573 -0.0076 0.0080 87 ASN a O +24726 O O B ASN S 87 ? 0.7368 0.6251 0.5979 0.0573 -0.0077 0.0080 87 ASN a O +24727 C CB A ASN S 87 ? 0.6212 0.5000 0.4780 0.0493 -0.0102 0.0095 87 ASN a CB +24728 C CB B ASN S 87 ? 0.6197 0.4981 0.4762 0.0493 -0.0102 0.0095 87 ASN a CB +24729 C CG A ASN S 87 ? 0.7590 0.6305 0.6090 0.0520 -0.0097 0.0087 87 ASN a CG +24730 C CG B ASN S 87 ? 0.7610 0.6321 0.6107 0.0520 -0.0097 0.0087 87 ASN a CG +24731 O OD1 A ASN S 87 ? 0.7519 0.6228 0.6006 0.0519 -0.0084 0.0082 87 ASN a OD1 +24732 O OD1 B ASN S 87 ? 0.7545 0.6246 0.6026 0.0517 -0.0085 0.0082 87 ASN a OD1 +24733 N ND2 A ASN S 87 ? 0.6931 0.5587 0.5385 0.0543 -0.0107 0.0086 87 ASN a ND2 +24734 N ND2 B ASN S 87 ? 0.6926 0.5583 0.5380 0.0546 -0.0107 0.0086 87 ASN a ND2 +24735 N N A ALA S 88 ? 0.6834 0.5809 0.5534 0.0552 -0.0095 0.0090 88 ALA a N +24736 N N B ALA S 88 ? 0.6839 0.5811 0.5536 0.0552 -0.0095 0.0090 88 ALA a N +24737 C CA A ALA S 88 ? 0.7581 0.6603 0.6307 0.0596 -0.0093 0.0083 88 ALA a CA +24738 C CA B ALA S 88 ? 0.7597 0.6616 0.6320 0.0596 -0.0093 0.0083 88 ALA a CA +24739 C C A ALA S 88 ? 0.7951 0.7040 0.6720 0.0603 -0.0072 0.0078 88 ALA a C +24740 C C B ALA S 88 ? 0.7980 0.7066 0.6746 0.0603 -0.0072 0.0078 88 ALA a C +24741 O O A ALA S 88 ? 0.7509 0.6623 0.6286 0.0643 -0.0065 0.0070 88 ALA a O +24742 O O B ALA S 88 ? 0.7523 0.6636 0.6298 0.0643 -0.0065 0.0070 88 ALA a O +24743 C CB A ALA S 88 ? 0.6301 0.5374 0.5073 0.0601 -0.0109 0.0086 88 ALA a CB +24744 C CB B ALA S 88 ? 0.6288 0.5360 0.5060 0.0600 -0.0109 0.0086 88 ALA a CB +24745 N N A ILE S 89 ? 0.7185 0.6303 0.5980 0.0566 -0.0060 0.0082 89 ILE a N +24746 N N B ILE S 89 ? 0.7192 0.6305 0.5983 0.0566 -0.0060 0.0082 89 ILE a N +24747 C CA A ILE S 89 ? 0.6603 0.5775 0.5430 0.0570 -0.0037 0.0077 89 ILE a CA +24748 C CA B ILE S 89 ? 0.6587 0.5755 0.5412 0.0569 -0.0038 0.0077 89 ILE a CA +24749 C C A ILE S 89 ? 0.7022 0.6134 0.5790 0.0580 -0.0024 0.0072 89 ILE a C +24750 C C B ILE S 89 ? 0.7036 0.6146 0.5801 0.0581 -0.0024 0.0072 89 ILE a C +24751 O O A ILE S 89 ? 0.7413 0.6555 0.6190 0.0602 -0.0005 0.0066 89 ILE a O +24752 O O B ILE S 89 ? 0.7448 0.6587 0.6222 0.0604 -0.0006 0.0066 89 ILE a O +24753 C CB A ILE S 89 ? 0.7186 0.6412 0.6065 0.0527 -0.0031 0.0084 89 ILE a CB +24754 C CB B ILE S 89 ? 0.7199 0.6418 0.6072 0.0526 -0.0031 0.0084 89 ILE a CB +24755 C CG1 A ILE S 89 ? 0.7316 0.6618 0.6264 0.0525 -0.0040 0.0086 89 ILE a CG1 +24756 C CG1 B ILE S 89 ? 0.7360 0.6652 0.6301 0.0521 -0.0042 0.0087 89 ILE a CG1 +24757 C CG2 A ILE S 89 ? 0.6536 0.5794 0.5429 0.0521 -0.0005 0.0082 89 ILE a CG2 +24758 C CG2 B ILE S 89 ? 0.6542 0.5796 0.5431 0.0522 -0.0006 0.0082 89 ILE a CG2 +24759 C CD1 A ILE S 89 ? 0.6759 0.6096 0.5748 0.0479 -0.0041 0.0094 89 ILE a CD1 +24760 C CD1 B ILE S 89 ? 0.6761 0.6090 0.5744 0.0475 -0.0041 0.0095 89 ILE a CD1 +24761 N N A GLY S 90 ? 0.6895 0.5923 0.5601 0.0565 -0.0033 0.0075 90 GLY a N +24762 N N B GLY S 90 ? 0.6874 0.5898 0.5576 0.0567 -0.0033 0.0074 90 GLY a N +24763 C CA A GLY S 90 ? 0.6996 0.5964 0.5642 0.0573 -0.0022 0.0069 90 GLY a CA +24764 C CA B GLY S 90 ? 0.6980 0.5944 0.5623 0.0574 -0.0022 0.0069 90 GLY a CA +24765 C C A GLY S 90 ? 0.7549 0.6550 0.6213 0.0553 -0.0002 0.0069 90 GLY a C +24766 C C B GLY S 90 ? 0.7578 0.6576 0.6239 0.0554 -0.0002 0.0069 90 GLY a C +24767 O O A GLY S 90 ? 0.7208 0.6228 0.5895 0.0514 -0.0003 0.0076 90 GLY a O +24768 O O B GLY S 90 ? 0.7222 0.6240 0.5908 0.0515 -0.0003 0.0076 90 GLY a O +24769 N N A LEU S 91 ? 0.7439 0.6444 0.6089 0.0581 0.0016 0.0061 91 LEU a N +24770 N N B LEU S 91 ? 0.7465 0.6465 0.6110 0.0581 0.0016 0.0061 91 LEU a N +24771 C CA A LEU S 91 ? 0.7287 0.6323 0.5949 0.0568 0.0038 0.0061 91 LEU a CA +24772 C CA B LEU S 91 ? 0.7291 0.6322 0.5949 0.0567 0.0037 0.0061 91 LEU a CA +24773 C C A LEU S 91 ? 0.7718 0.6850 0.6451 0.0578 0.0054 0.0061 91 LEU a C +24774 C C B LEU S 91 ? 0.7731 0.6858 0.6461 0.0577 0.0054 0.0061 91 LEU a C +24775 O O A LEU S 91 ? 0.7217 0.6379 0.5962 0.0572 0.0076 0.0060 91 LEU a O +24776 O O B LEU S 91 ? 0.7215 0.6372 0.5956 0.0571 0.0075 0.0060 91 LEU a O +24777 C CB A LEU S 91 ? 0.6804 0.5782 0.5402 0.0590 0.0050 0.0052 91 LEU a CB +24778 C CB B LEU S 91 ? 0.6801 0.5774 0.5395 0.0587 0.0050 0.0053 91 LEU a CB +24779 C CG A LEU S 91 ? 0.7420 0.6302 0.5945 0.0574 0.0038 0.0051 91 LEU a CG +24780 C CG B LEU S 91 ? 0.7435 0.6311 0.5955 0.0573 0.0037 0.0051 91 LEU a CG +24781 C CD1 A LEU S 91 ? 0.7328 0.6157 0.5791 0.0598 0.0051 0.0042 91 LEU a CD1 +24782 C CD1 B LEU S 91 ? 0.7329 0.6156 0.5790 0.0599 0.0051 0.0041 91 LEU a CD1 +24783 C CD2 A LEU S 91 ? 0.6981 0.5860 0.5513 0.0525 0.0032 0.0059 91 LEU a CD2 +24784 C CD2 B LEU S 91 ? 0.6928 0.5796 0.5452 0.0525 0.0031 0.0059 91 LEU a CD2 +24785 N N A HIS S 92 ? 0.6968 0.6150 0.5750 0.0592 0.0045 0.0061 92 HIS a N +24786 N N B HIS S 92 ? 0.6945 0.6122 0.5723 0.0591 0.0044 0.0061 92 HIS a N +24787 C CA A HIS S 92 ? 0.7141 0.6419 0.5996 0.0599 0.0060 0.0059 92 HIS a CA +24788 C CA B HIS S 92 ? 0.7158 0.6431 0.6008 0.0600 0.0059 0.0059 92 HIS a CA +24789 C C A HIS S 92 ? 0.7374 0.6698 0.6273 0.0556 0.0067 0.0068 92 HIS a C +24790 C C B HIS S 92 ? 0.7376 0.6695 0.6271 0.0556 0.0067 0.0068 92 HIS a C +24791 O O A HIS S 92 ? 0.7110 0.6408 0.6002 0.0522 0.0052 0.0075 92 HIS a O +24792 O O B HIS S 92 ? 0.7122 0.6418 0.6012 0.0522 0.0052 0.0075 92 HIS a O +24793 C CB A HIS S 92 ? 0.6837 0.6159 0.5733 0.0623 0.0045 0.0057 92 HIS a CB +24794 C CB B HIS S 92 ? 0.6840 0.6155 0.5731 0.0623 0.0044 0.0057 92 HIS a CB +24795 C CG A HIS S 92 ? 0.7451 0.6749 0.6318 0.0674 0.0043 0.0047 92 HIS a CG +24796 C CG B HIS S 92 ? 0.7455 0.6747 0.6317 0.0674 0.0043 0.0047 92 HIS a CG +24797 N ND1 A HIS S 92 ? 0.6965 0.6331 0.5879 0.0709 0.0050 0.0040 92 HIS a ND1 +24798 N ND1 B HIS S 92 ? 0.6958 0.6319 0.5869 0.0708 0.0048 0.0040 92 HIS a ND1 +24799 C CD2 A HIS S 92 ? 0.7174 0.6385 0.5967 0.0695 0.0036 0.0044 92 HIS a CD2 +24800 C CD2 B HIS S 92 ? 0.7184 0.6390 0.5972 0.0696 0.0036 0.0044 92 HIS a CD2 +24801 C CE1 A HIS S 92 ? 0.6952 0.6274 0.5822 0.0752 0.0046 0.0032 92 HIS a CE1 +24802 C CE1 B HIS S 92 ? 0.6936 0.6255 0.5804 0.0752 0.0045 0.0032 92 HIS a CE1 +24803 N NE2 A HIS S 92 ? 0.7403 0.6629 0.6197 0.0744 0.0038 0.0035 92 HIS a NE2 +24804 N NE2 B HIS S 92 ? 0.7404 0.6627 0.6195 0.0745 0.0038 0.0034 92 HIS a NE2 +24805 N N A PHE S 93 ? 0.7866 0.7256 0.6809 0.0557 0.0090 0.0066 93 PHE a N +24806 N N B PHE S 93 ? 0.7891 0.7278 0.6830 0.0558 0.0090 0.0065 93 PHE a N +24807 C CA A PHE S 93 ? 0.6913 0.6352 0.5900 0.0519 0.0101 0.0073 93 PHE a CA +24808 C CA B PHE S 93 ? 0.6901 0.6340 0.5888 0.0521 0.0101 0.0073 93 PHE a CA +24809 C C A PHE S 93 ? 0.7499 0.7002 0.6554 0.0508 0.0088 0.0076 93 PHE a C +24810 C C B PHE S 93 ? 0.7524 0.7025 0.6578 0.0510 0.0087 0.0076 93 PHE a C +24811 O O A PHE S 93 ? 0.7135 0.6692 0.6232 0.0534 0.0089 0.0070 93 PHE a O +24812 O O B PHE S 93 ? 0.7166 0.6717 0.6258 0.0538 0.0086 0.0069 93 PHE a O +24813 C CB A PHE S 93 ? 0.7504 0.6986 0.6508 0.0527 0.0133 0.0069 93 PHE a CB +24814 C CB B PHE S 93 ? 0.7508 0.6994 0.6516 0.0529 0.0133 0.0069 93 PHE a CB +24815 C CG A PHE S 93 ? 0.7206 0.6727 0.6244 0.0490 0.0148 0.0077 93 PHE a CG +24816 C CG B PHE S 93 ? 0.7197 0.6720 0.6236 0.0491 0.0148 0.0077 93 PHE a CG +24817 C CD1 A PHE S 93 ? 0.7768 0.7239 0.6767 0.0457 0.0145 0.0085 93 PHE a CD1 +24818 C CD1 B PHE S 93 ? 0.7777 0.7247 0.6777 0.0459 0.0143 0.0085 93 PHE a CD1 +24819 C CD2 A PHE S 93 ? 0.7084 0.6692 0.6192 0.0487 0.0166 0.0076 93 PHE a CD2 +24820 C CD2 B PHE S 93 ? 0.7067 0.6675 0.6175 0.0487 0.0166 0.0076 93 PHE a CD2 +24821 C CE1 A PHE S 93 ? 0.8095 0.7598 0.7122 0.0424 0.0158 0.0093 93 PHE a CE1 +24822 C CE1 B PHE S 93 ? 0.8106 0.7606 0.7131 0.0425 0.0157 0.0092 93 PHE a CE1 +24823 C CE2 A PHE S 93 ? 0.8110 0.7749 0.7245 0.0452 0.0181 0.0084 93 PHE a CE2 +24824 C CE2 B PHE S 93 ? 0.8120 0.7756 0.7253 0.0452 0.0181 0.0084 93 PHE a CE2 +24825 C CZ A PHE S 93 ? 0.7639 0.7224 0.6732 0.0421 0.0177 0.0092 93 PHE a CZ +24826 C CZ B PHE S 93 ? 0.7638 0.7218 0.6728 0.0422 0.0176 0.0092 93 PHE a CZ +24827 N N A TYR S 94 ? 0.6699 0.6197 0.5765 0.0469 0.0075 0.0085 94 TYR a N +24828 N N B TYR S 94 ? 0.6693 0.6193 0.5760 0.0471 0.0076 0.0085 94 TYR a N +24829 C CA A TYR S 94 ? 0.7139 0.6684 0.6259 0.0457 0.0059 0.0088 94 TYR a CA +24830 C CA B TYR S 94 ? 0.7152 0.6696 0.6272 0.0458 0.0059 0.0088 94 TYR a CA +24831 C C A TYR S 94 ? 0.6780 0.6371 0.5946 0.0417 0.0068 0.0095 94 TYR a C +24832 C C B TYR S 94 ? 0.6777 0.6367 0.5943 0.0417 0.0068 0.0095 94 TYR a C +24833 O O A TYR S 94 ? 0.6871 0.6443 0.6036 0.0386 0.0053 0.0103 94 TYR a O +24834 O O B TYR S 94 ? 0.6879 0.6451 0.6044 0.0387 0.0053 0.0103 94 TYR a O +24835 C CB A TYR S 94 ? 0.7041 0.6525 0.6125 0.0451 0.0030 0.0092 94 TYR a CB +24836 C CB B TYR S 94 ? 0.7042 0.6525 0.6125 0.0453 0.0030 0.0091 94 TYR a CB +24837 C CG A TYR S 94 ? 0.6464 0.5987 0.5593 0.0448 0.0010 0.0093 94 TYR a CG +24838 C CG B TYR S 94 ? 0.6455 0.5976 0.5582 0.0449 0.0010 0.0093 94 TYR a CG +24839 C CD1 A TYR S 94 ? 0.6335 0.5919 0.5510 0.0477 0.0009 0.0086 94 TYR a CD1 +24840 C CD1 B TYR S 94 ? 0.6302 0.5880 0.5473 0.0478 0.0007 0.0086 94 TYR a CD1 +24841 C CD2 A TYR S 94 ? 0.6588 0.6086 0.5712 0.0418 -0.0008 0.0101 94 TYR a CD2 +24842 C CD2 B TYR S 94 ? 0.6586 0.6082 0.5708 0.0417 -0.0007 0.0101 94 TYR a CD2 +24843 C CE1 A TYR S 94 ? 0.7171 0.6788 0.6384 0.0475 -0.0011 0.0086 94 TYR a CE1 +24844 C CE1 B TYR S 94 ? 0.7213 0.6823 0.6421 0.0475 -0.0013 0.0087 94 TYR a CE1 +24845 C CE2 A TYR S 94 ? 0.6994 0.6524 0.6155 0.0416 -0.0027 0.0102 94 TYR a CE2 +24846 C CE2 B TYR S 94 ? 0.7004 0.6531 0.6163 0.0414 -0.0026 0.0102 94 TYR a CE2 +24847 C CZ A TYR S 94 ? 0.7008 0.6596 0.6212 0.0444 -0.0029 0.0094 94 TYR a CZ +24848 C CZ B TYR S 94 ? 0.7013 0.6596 0.6214 0.0442 -0.0029 0.0095 94 TYR a CZ +24849 O OH A TYR S 94 ? 0.6802 0.6423 0.6042 0.0443 -0.0048 0.0094 94 TYR a OH +24850 O OH B TYR S 94 ? 0.6809 0.6421 0.6043 0.0440 -0.0049 0.0095 94 TYR a OH +24851 N N . PRO S 95 ? 0.7534 0.7185 0.6741 0.0416 0.0092 0.0093 95 PRO a N +24852 C CA . PRO S 95 ? 0.6509 0.6208 0.5763 0.0379 0.0101 0.0100 95 PRO a CA +24853 C C . PRO S 95 ? 0.7073 0.6826 0.6387 0.0372 0.0085 0.0099 95 PRO a C +24854 O O . PRO S 95 ? 0.6354 0.6119 0.5679 0.0399 0.0069 0.0093 95 PRO a O +24855 C CB . PRO S 95 ? 0.7085 0.6832 0.6364 0.0386 0.0134 0.0096 95 PRO a CB +24856 C CG . PRO S 95 ? 0.6548 0.6316 0.5834 0.0431 0.0135 0.0085 95 PRO a CG +24857 C CD . PRO S 95 ? 0.6639 0.6327 0.5859 0.0451 0.0113 0.0084 95 PRO a CD +24858 N N . ILE S 96 ? 0.6621 0.6407 0.5973 0.0336 0.0088 0.0106 96 ILE a N +24859 C CA . ILE S 96 ? 0.7300 0.7135 0.6708 0.0325 0.0071 0.0105 96 ILE a CA +24860 C C . ILE S 96 ? 0.7995 0.7903 0.7458 0.0353 0.0075 0.0094 96 ILE a C +24861 O O . ILE S 96 ? 0.7528 0.7456 0.7013 0.0366 0.0053 0.0090 96 ILE a O +24862 C CB . ILE S 96 ? 0.7475 0.7334 0.6914 0.0282 0.0078 0.0113 96 ILE a CB +24863 C CG1 . ILE S 96 ? 0.6425 0.6214 0.5812 0.0256 0.0070 0.0123 96 ILE a CG1 +24864 C CG2 . ILE S 96 ? 0.6939 0.6856 0.6440 0.0271 0.0063 0.0111 96 ILE a CG2 +24865 C CD1 . ILE S 96 ? 0.7574 0.7379 0.6986 0.0216 0.0074 0.0131 96 ILE a CD1 +24866 N N . TRP S 97 ? 0.6967 0.6917 0.6452 0.0363 0.0103 0.0090 97 TRP a N +24867 C CA . TRP S 97 ? 0.6658 0.6689 0.6205 0.0386 0.0110 0.0078 97 TRP a CA +24868 C C . TRP S 97 ? 0.7449 0.7468 0.6977 0.0434 0.0097 0.0069 97 TRP a C +24869 O O . TRP S 97 ? 0.7153 0.7238 0.6732 0.0457 0.0097 0.0059 97 TRP a O +24870 C CB . TRP S 97 ? 0.6783 0.6863 0.6359 0.0381 0.0147 0.0076 97 TRP a CB +24871 C CG . TRP S 97 ? 0.7214 0.7241 0.6729 0.0395 0.0168 0.0077 97 TRP a CG +24872 C CD1 . TRP S 97 ? 0.7281 0.7300 0.6773 0.0436 0.0177 0.0069 97 TRP a CD1 +24873 C CD2 . TRP S 97 ? 0.7309 0.7286 0.6779 0.0368 0.0183 0.0087 97 TRP a CD2 +24874 N NE1 . TRP S 97 ? 0.7450 0.7416 0.6884 0.0435 0.0196 0.0073 97 TRP a NE1 +24875 C CE2 . TRP S 97 ? 0.7373 0.7312 0.6792 0.0394 0.0200 0.0084 97 TRP a CE2 +24876 C CE3 . TRP S 97 ? 0.6786 0.6744 0.6252 0.0326 0.0183 0.0099 97 TRP a CE3 +24877 C CZ2 . TRP S 97 ? 0.7307 0.7191 0.6671 0.0379 0.0216 0.0091 97 TRP a CZ2 +24878 C CZ3 . TRP S 97 ? 0.6960 0.6864 0.6371 0.0312 0.0199 0.0106 97 TRP a CZ3 +24879 C CH2 . TRP S 97 ? 0.6466 0.6334 0.5827 0.0339 0.0214 0.0102 97 TRP a CH2 +24880 N N . GLU S 98 ? 0.6681 0.6616 0.6135 0.0449 0.0086 0.0072 98 GLU a N +24881 C CA . GLU S 98 ? 0.7230 0.7142 0.6659 0.0493 0.0069 0.0065 98 GLU a CA +24882 C C . GLU S 98 ? 0.8481 0.8377 0.7909 0.0493 0.0035 0.0066 98 GLU a C +24883 O O . GLU S 98 ? 0.8341 0.8215 0.7746 0.0529 0.0019 0.0061 98 GLU a O +24884 C CB . GLU S 98 ? 0.7731 0.7557 0.7078 0.0510 0.0074 0.0066 98 GLU a CB +24885 C CG . GLU S 98 ? 0.9135 0.8973 0.8473 0.0527 0.0105 0.0061 98 GLU a CG +24886 C CD . GLU S 98 ? 1.0885 1.0787 1.0266 0.0568 0.0113 0.0048 98 GLU a CD +24887 O OE1 . GLU S 98 ? 1.1865 1.1750 1.1230 0.0604 0.0093 0.0042 98 GLU a OE1 +24888 O OE2 . GLU S 98 ? 1.0653 1.0624 1.0084 0.0565 0.0138 0.0044 98 GLU a OE2 +24889 N N . ALA S 99 ? 0.7013 0.6914 0.6460 0.0455 0.0025 0.0074 99 ALA a N +24890 C CA . ALA S 99 ? 0.7243 0.7132 0.6692 0.0453 -0.0006 0.0076 99 ALA a CA +24891 C C . ALA S 99 ? 0.8108 0.8087 0.7636 0.0453 -0.0013 0.0069 99 ALA a C +24892 O O . ALA S 99 ? 0.7406 0.7451 0.6988 0.0436 0.0007 0.0066 99 ALA a O +24893 C CB . ALA S 99 ? 0.5487 0.5327 0.4909 0.0411 -0.0014 0.0087 99 ALA a CB +24894 N N . ALA S 100 ? 0.7098 0.7077 0.6628 0.0473 -0.0040 0.0065 100 ALA a N +24895 C CA . ALA S 100 ? 0.7254 0.7313 0.6854 0.0472 -0.0052 0.0058 100 ALA a CA +24896 C C . ALA S 100 ? 0.6945 0.7019 0.6574 0.0424 -0.0056 0.0065 100 ALA a C +24897 O O . ALA S 100 ? 0.7486 0.7635 0.7182 0.0412 -0.0057 0.0060 100 ALA a O +24898 C CB . ALA S 100 ? 0.6444 0.6490 0.6031 0.0506 -0.0083 0.0054 100 ALA a CB +24899 N N . SER S 101 ? 0.6865 0.6869 0.6444 0.0397 -0.0059 0.0077 101 SER a N +24900 C CA . SER S 101 ? 0.6017 0.6028 0.5617 0.0354 -0.0063 0.0084 101 SER a CA +24901 C C . SER S 101 ? 0.6183 0.6117 0.5724 0.0329 -0.0056 0.0095 101 SER a C +24902 O O . SER S 101 ? 0.6760 0.6631 0.6242 0.0346 -0.0056 0.0097 101 SER a O +24903 C CB . SER S 101 ? 0.6255 0.6269 0.5865 0.0354 -0.0094 0.0083 101 SER a CB +24904 O OG . SER S 101 ? 0.7098 0.7036 0.6642 0.0371 -0.0112 0.0087 101 SER a OG +24905 N N . LEU S 102 ? 0.5971 0.5912 0.5529 0.0289 -0.0052 0.0102 102 LEU a N +24906 C CA . LEU S 102 ? 0.6631 0.6503 0.6138 0.0264 -0.0051 0.0113 102 LEU a CA +24907 C C . LEU S 102 ? 0.6802 0.6609 0.6259 0.0273 -0.0075 0.0116 102 LEU a C +24908 O O . LEU S 102 ? 0.6954 0.6694 0.6354 0.0271 -0.0074 0.0121 102 LEU a O +24909 C CB . LEU S 102 ? 0.6325 0.6218 0.5863 0.0222 -0.0046 0.0119 102 LEU a CB +24910 C CG . LEU S 102 ? 0.6897 0.6828 0.6463 0.0208 -0.0017 0.0119 102 LEU a CG +24911 C CD1 . LEU S 102 ? 0.7690 0.7645 0.7289 0.0168 -0.0013 0.0124 102 LEU a CD1 +24912 C CD2 . LEU S 102 ? 0.6614 0.6493 0.6127 0.0212 0.0000 0.0124 102 LEU a CD2 +24913 N N . ASP S 103 ? 0.6351 0.6177 0.5827 0.0283 -0.0097 0.0112 103 ASP a N +24914 C CA . ASP S 103 ? 0.6587 0.6351 0.6014 0.0290 -0.0118 0.0115 103 ASP a CA +24915 C C . ASP S 103 ? 0.7353 0.7064 0.6726 0.0324 -0.0119 0.0113 103 ASP a C +24916 O O . ASP S 103 ? 0.6552 0.6191 0.5869 0.0320 -0.0125 0.0119 103 ASP a O +24917 C CB . ASP S 103 ? 0.7281 0.7075 0.6737 0.0296 -0.0141 0.0112 103 ASP a CB +24918 C CG . ASP S 103 ? 0.7990 0.7817 0.7486 0.0259 -0.0144 0.0115 103 ASP a CG +24919 O OD1 . ASP S 103 ? 0.8306 0.8096 0.7780 0.0229 -0.0141 0.0123 103 ASP a OD1 +24920 O OD2 . ASP S 103 ? 0.8747 0.8639 0.8297 0.0260 -0.0150 0.0108 103 ASP a OD2 +24921 N N . GLU S 104 ? 0.6173 0.5920 0.5564 0.0357 -0.0113 0.0105 104 GLU a N +24922 C CA . GLU S 104 ? 0.6545 0.6242 0.5884 0.0390 -0.0111 0.0103 104 GLU a CA +24923 C C . GLU S 104 ? 0.6529 0.6177 0.5827 0.0374 -0.0092 0.0108 104 GLU a C +24924 O O . GLU S 104 ? 0.6366 0.5938 0.5602 0.0376 -0.0098 0.0112 104 GLU a O +24925 C CB . GLU S 104 ? 0.5901 0.5651 0.5271 0.0428 -0.0104 0.0092 104 GLU a CB +24926 C CG . GLU S 104 ? 0.5978 0.5678 0.5294 0.0464 -0.0099 0.0089 104 GLU a CG +24927 C CD . GLU S 104 ? 0.7471 0.7228 0.6821 0.0492 -0.0081 0.0079 104 GLU a CD +24928 O OE1 . GLU S 104 ? 0.6776 0.6603 0.6180 0.0510 -0.0086 0.0071 104 GLU a OE1 +24929 O OE2 . GLU S 104 ? 0.7227 0.6960 0.6550 0.0495 -0.0060 0.0079 104 GLU a OE2 +24930 N N . TRP S 105 ? 0.6596 0.6284 0.5926 0.0354 -0.0071 0.0109 105 TRP a N +24931 C CA . TRP S 105 ? 0.6907 0.6555 0.6200 0.0341 -0.0053 0.0113 105 TRP a CA +24932 C C . TRP S 105 ? 0.6450 0.6030 0.5698 0.0314 -0.0063 0.0121 105 TRP a C +24933 O O . TRP S 105 ? 0.6761 0.6279 0.5955 0.0317 -0.0060 0.0123 105 TRP a O +24934 C CB . TRP S 105 ? 0.6144 0.5849 0.5484 0.0319 -0.0031 0.0114 105 TRP a CB +24935 C CG . TRP S 105 ? 0.7531 0.7206 0.6838 0.0311 -0.0009 0.0116 105 TRP a CG +24936 C CD1 . TRP S 105 ? 0.7484 0.7144 0.6763 0.0338 0.0006 0.0111 105 TRP a CD1 +24937 C CD2 . TRP S 105 ? 0.6821 0.6478 0.6119 0.0276 0.0000 0.0124 105 TRP a CD2 +24938 N NE1 . TRP S 105 ? 0.8021 0.7653 0.7272 0.0321 0.0023 0.0116 105 TRP a NE1 +24939 C CE2 . TRP S 105 ? 0.7134 0.6765 0.6396 0.0283 0.0019 0.0124 105 TRP a CE2 +24940 C CE3 . TRP S 105 ? 0.7863 0.7523 0.7177 0.0240 -0.0007 0.0132 105 TRP a CE3 +24941 C CZ2 . TRP S 105 ? 0.7327 0.6935 0.6570 0.0256 0.0031 0.0131 105 TRP a CZ2 +24942 C CZ3 . TRP S 105 ? 0.6798 0.6434 0.6093 0.0214 0.0004 0.0138 105 TRP a CZ3 +24943 C CH2 . TRP S 105 ? 0.6373 0.5984 0.5633 0.0222 0.0022 0.0138 105 TRP a CH2 +24944 N N . LEU S 106 ? 0.6646 0.6239 0.5918 0.0287 -0.0076 0.0126 106 LEU a N +24945 C CA . LEU S 106 ? 0.6593 0.6127 0.5827 0.0262 -0.0086 0.0133 106 LEU a CA +24946 C C . LEU S 106 ? 0.6837 0.6307 0.6018 0.0280 -0.0101 0.0133 106 LEU a C +24947 O O . LEU S 106 ? 0.6591 0.5998 0.5722 0.0270 -0.0101 0.0136 106 LEU a O +24948 C CB . LEU S 106 ? 0.6403 0.5969 0.5677 0.0233 -0.0095 0.0137 106 LEU a CB +24949 C CG . LEU S 106 ? 0.6530 0.6148 0.5849 0.0208 -0.0079 0.0139 106 LEU a CG +24950 C CD1 . LEU S 106 ? 0.6614 0.6267 0.5975 0.0184 -0.0090 0.0142 106 LEU a CD1 +24951 C CD2 . LEU S 106 ? 0.5490 0.5070 0.4777 0.0189 -0.0065 0.0145 106 LEU a CD2 +24952 N N A TYR S 107 ? 0.6503 0.5985 0.5691 0.0306 -0.0115 0.0129 107 TYR a N +24953 N N B TYR S 107 ? 0.6516 0.5998 0.5704 0.0306 -0.0115 0.0128 107 TYR a N +24954 C CA A TYR S 107 ? 0.6157 0.5574 0.5291 0.0324 -0.0130 0.0129 107 TYR a CA +24955 C CA B TYR S 107 ? 0.6148 0.5565 0.5282 0.0324 -0.0130 0.0129 107 TYR a CA +24956 C C A TYR S 107 ? 0.6544 0.5906 0.5625 0.0343 -0.0121 0.0126 107 TYR a C +24957 C C B TYR S 107 ? 0.6556 0.5918 0.5636 0.0343 -0.0120 0.0126 107 TYR a C +24958 O O A TYR S 107 ? 0.6753 0.6045 0.5780 0.0339 -0.0127 0.0129 107 TYR a O +24959 O O B TYR S 107 ? 0.6772 0.6063 0.5798 0.0340 -0.0127 0.0129 107 TYR a O +24960 C CB A TYR S 107 ? 0.6607 0.6052 0.5759 0.0354 -0.0145 0.0124 107 TYR a CB +24961 C CB B TYR S 107 ? 0.6613 0.6057 0.5764 0.0355 -0.0145 0.0124 107 TYR a CB +24962 C CG A TYR S 107 ? 0.6510 0.5888 0.5606 0.0376 -0.0161 0.0125 107 TYR a CG +24963 C CG B TYR S 107 ? 0.6511 0.5888 0.5605 0.0376 -0.0160 0.0125 107 TYR a CG +24964 C CD1 A TYR S 107 ? 0.6642 0.5984 0.5698 0.0410 -0.0158 0.0120 107 TYR a CD1 +24965 C CD1 B TYR S 107 ? 0.6642 0.5983 0.5697 0.0411 -0.0158 0.0120 107 TYR a CD1 +24966 C CD2 A TYR S 107 ? 0.6590 0.5938 0.5669 0.0361 -0.0177 0.0130 107 TYR a CD2 +24967 C CD2 B TYR S 107 ? 0.6602 0.5947 0.5679 0.0360 -0.0176 0.0130 107 TYR a CD2 +24968 C CE1 A TYR S 107 ? 0.6505 0.5779 0.5503 0.0430 -0.0172 0.0121 107 TYR a CE1 +24969 C CE1 B TYR S 107 ? 0.6498 0.5771 0.5496 0.0430 -0.0171 0.0121 107 TYR a CE1 +24970 C CE2 A TYR S 107 ? 0.6287 0.5569 0.5310 0.0380 -0.0190 0.0131 107 TYR a CE2 +24971 C CE2 B TYR S 107 ? 0.6291 0.5569 0.5311 0.0379 -0.0189 0.0131 107 TYR a CE2 +24972 C CZ A TYR S 107 ? 0.6817 0.6061 0.5800 0.0414 -0.0187 0.0127 107 TYR a CZ +24973 C CZ B TYR S 107 ? 0.6830 0.6071 0.5810 0.0413 -0.0186 0.0127 107 TYR a CZ +24974 O OH A TYR S 107 ? 0.6724 0.5898 0.5648 0.0432 -0.0199 0.0128 107 TYR a OH +24975 O OH B TYR S 107 ? 0.6732 0.5902 0.5652 0.0431 -0.0198 0.0129 107 TYR a OH +24976 N N A ASN S 108 ? 0.6172 0.5566 0.5268 0.0361 -0.0105 0.0121 108 ASN a N +24977 N N B ASN S 108 ? 0.6173 0.5566 0.5268 0.0361 -0.0104 0.0121 108 ASN a N +24978 C CA A ASN S 108 ? 0.6313 0.5660 0.5360 0.0384 -0.0095 0.0117 108 ASN a CA +24979 C CA B ASN S 108 ? 0.6308 0.5653 0.5353 0.0384 -0.0095 0.0117 108 ASN a CA +24980 C C A ASN S 108 ? 0.6314 0.5635 0.5339 0.0360 -0.0080 0.0119 108 ASN a C +24981 C C B ASN S 108 ? 0.6311 0.5629 0.5333 0.0360 -0.0080 0.0119 108 ASN a C +24982 O O A ASN S 108 ? 0.6427 0.5709 0.5410 0.0376 -0.0071 0.0116 108 ASN a O +24983 O O B ASN S 108 ? 0.6432 0.5711 0.5413 0.0377 -0.0071 0.0115 108 ASN a O +24984 C CB A ASN S 108 ? 0.6627 0.6022 0.5699 0.0421 -0.0086 0.0109 108 ASN a CB +24985 C CB B ASN S 108 ? 0.6626 0.6019 0.5696 0.0421 -0.0085 0.0109 108 ASN a CB +24986 C CG A ASN S 108 ? 0.7599 0.6999 0.6673 0.0454 -0.0104 0.0105 108 ASN a CG +24987 C CG B ASN S 108 ? 0.7626 0.7029 0.6702 0.0454 -0.0103 0.0104 108 ASN a CG +24988 O OD1 A ASN S 108 ? 0.7554 0.6894 0.6575 0.0479 -0.0111 0.0103 108 ASN a OD1 +24989 O OD1 B ASN S 108 ? 0.7564 0.6909 0.6588 0.0480 -0.0111 0.0102 108 ASN a OD1 +24990 N ND2 A ASN S 108 ? 0.7051 0.6519 0.6183 0.0454 -0.0112 0.0103 108 ASN a ND2 +24991 N ND2 B ASN S 108 ? 0.7066 0.6539 0.6202 0.0453 -0.0110 0.0103 108 ASN a ND2 +24992 N N A GLY S 109 ? 0.6687 0.6025 0.5735 0.0323 -0.0078 0.0125 109 GLY a N +24993 N N B GLY S 109 ? 0.6705 0.6040 0.5751 0.0323 -0.0078 0.0125 109 GLY a N +24994 C CA A GLY S 109 ? 0.6080 0.5386 0.5101 0.0301 -0.0067 0.0128 109 GLY a CA +24995 C CA B GLY S 109 ? 0.6066 0.5370 0.5084 0.0301 -0.0067 0.0128 109 GLY a CA +24996 C C A GLY S 109 ? 0.6618 0.5964 0.5661 0.0302 -0.0045 0.0126 109 GLY a C +24997 C C B GLY S 109 ? 0.6626 0.5970 0.5666 0.0303 -0.0045 0.0126 109 GLY a C +24998 O O A GLY S 109 ? 0.6566 0.5878 0.5574 0.0295 -0.0036 0.0126 109 GLY a O +24999 O O B GLY S 109 ? 0.6558 0.5867 0.5562 0.0299 -0.0035 0.0126 109 GLY a O +25000 N N A GLY S 110 ? 0.7010 0.6429 0.6109 0.0308 -0.0037 0.0125 110 GLY a N +25001 N N B GLY S 110 ? 0.7034 0.6451 0.6132 0.0308 -0.0037 0.0125 110 GLY a N +25002 C CA A GLY S 110 ? 0.6242 0.5702 0.5365 0.0306 -0.0014 0.0124 110 GLY a CA +25003 C CA B GLY S 110 ? 0.6230 0.5689 0.5352 0.0306 -0.0014 0.0124 110 GLY a CA +25004 C C A GLY S 110 ? 0.6412 0.5857 0.5524 0.0273 -0.0005 0.0130 110 GLY a C +25005 C C B GLY S 110 ? 0.6412 0.5857 0.5524 0.0273 -0.0005 0.0130 110 GLY a C +25006 O O A GLY S 110 ? 0.6741 0.6177 0.5833 0.0277 0.0013 0.0129 110 GLY a O +25007 O O B GLY S 110 ? 0.6755 0.6192 0.5848 0.0277 0.0013 0.0129 110 GLY a O +25008 N N A PRO S 111 ? 0.6493 0.5936 0.5618 0.0242 -0.0016 0.0137 111 PRO a N +25009 N N B PRO S 111 ? 0.6493 0.5937 0.5618 0.0242 -0.0016 0.0137 111 PRO a N +25010 C CA A PRO S 111 ? 0.6572 0.6002 0.5687 0.0212 -0.0008 0.0143 111 PRO a CA +25011 C CA B PRO S 111 ? 0.6574 0.6004 0.5689 0.0213 -0.0008 0.0143 111 PRO a CA +25012 C C A PRO S 111 ? 0.6700 0.6067 0.5754 0.0215 -0.0005 0.0141 111 PRO a C +25013 C C B PRO S 111 ? 0.6705 0.6071 0.5758 0.0216 -0.0005 0.0141 111 PRO a C +25014 O O A PRO S 111 ? 0.6720 0.6085 0.5764 0.0204 0.0009 0.0144 111 PRO a O +25015 O O B PRO S 111 ? 0.6724 0.6088 0.5766 0.0206 0.0010 0.0143 111 PRO a O +25016 C CB A PRO S 111 ? 0.6285 0.5713 0.5416 0.0184 -0.0025 0.0149 111 PRO a CB +25017 C CB B PRO S 111 ? 0.6287 0.5714 0.5417 0.0184 -0.0025 0.0148 111 PRO a CB +25018 C CG A PRO S 111 ? 0.6528 0.5999 0.5702 0.0195 -0.0035 0.0146 111 PRO a CG +25019 C CG B PRO S 111 ? 0.6542 0.6011 0.5714 0.0195 -0.0035 0.0146 111 PRO a CG +25020 C CD A PRO S 111 ? 0.6263 0.5727 0.5420 0.0232 -0.0034 0.0139 111 PRO a CD +25021 C CD B PRO S 111 ? 0.6262 0.5727 0.5420 0.0233 -0.0034 0.0139 111 PRO a CD +25022 N N A TYR S 112 ? 0.6331 0.5644 0.5342 0.0229 -0.0018 0.0138 112 TYR a N +25023 N N B TYR S 112 ? 0.6326 0.5639 0.5337 0.0228 -0.0018 0.0138 112 TYR a N +25024 C CA A TYR S 112 ? 0.6996 0.6247 0.5948 0.0231 -0.0016 0.0135 112 TYR a CA +25025 C CA B TYR S 112 ? 0.7018 0.6268 0.5969 0.0231 -0.0017 0.0135 112 TYR a CA +25026 C C A TYR S 112 ? 0.6926 0.6184 0.5864 0.0250 0.0005 0.0131 112 TYR a C +25027 C C B TYR S 112 ? 0.6936 0.6195 0.5875 0.0250 0.0004 0.0131 112 TYR a C +25028 O O A TYR S 112 ? 0.7120 0.6353 0.6028 0.0241 0.0013 0.0131 112 TYR a O +25029 O O B TYR S 112 ? 0.7131 0.6367 0.6043 0.0239 0.0013 0.0132 112 TYR a O +25030 C CB A TYR S 112 ? 0.6225 0.5420 0.5136 0.0246 -0.0032 0.0131 112 TYR a CB +25031 C CB B TYR S 112 ? 0.6212 0.5407 0.5122 0.0247 -0.0032 0.0130 112 TYR a CB +25032 C CG A TYR S 112 ? 0.6574 0.5701 0.5422 0.0246 -0.0033 0.0127 112 TYR a CG +25033 C CG B TYR S 112 ? 0.6589 0.5715 0.5437 0.0247 -0.0033 0.0127 112 TYR a CG +25034 C CD1 A TYR S 112 ? 0.6292 0.5384 0.5120 0.0217 -0.0042 0.0129 112 TYR a CD1 +25035 C CD1 B TYR S 112 ? 0.6286 0.5377 0.5114 0.0218 -0.0043 0.0129 112 TYR a CD1 +25036 C CD2 A TYR S 112 ? 0.6244 0.5342 0.5054 0.0275 -0.0024 0.0119 112 TYR a CD2 +25037 C CD2 B TYR S 112 ? 0.6232 0.5331 0.5042 0.0275 -0.0024 0.0119 112 TYR a CD2 +25038 C CE1 A TYR S 112 ? 0.6337 0.5368 0.5109 0.0216 -0.0045 0.0124 112 TYR a CE1 +25039 C CE1 B TYR S 112 ? 0.6345 0.5376 0.5118 0.0216 -0.0045 0.0124 112 TYR a CE1 +25040 C CE2 A TYR S 112 ? 0.6433 0.5467 0.5185 0.0275 -0.0026 0.0115 112 TYR a CE2 +25041 C CE2 B TYR S 112 ? 0.6434 0.5469 0.5186 0.0274 -0.0026 0.0115 112 TYR a CE2 +25042 C CZ A TYR S 112 ? 0.6391 0.5393 0.5125 0.0244 -0.0037 0.0117 112 TYR a CZ +25043 C CZ B TYR S 112 ? 0.6390 0.5392 0.5125 0.0244 -0.0037 0.0117 112 TYR a CZ +25044 O OH A TYR S 112 ? 0.6599 0.5539 0.5277 0.0242 -0.0040 0.0111 112 TYR a OH +25045 O OH B TYR S 112 ? 0.6608 0.5548 0.5286 0.0241 -0.0040 0.0112 112 TYR a OH +25046 N N A GLN S 113 ? 0.6665 0.5957 0.5623 0.0279 0.0014 0.0126 113 GLN a N +25047 N N B GLN S 113 ? 0.6680 0.5971 0.5637 0.0279 0.0014 0.0126 113 GLN a N +25048 C CA A GLN S 113 ? 0.6520 0.5820 0.5465 0.0301 0.0036 0.0121 113 GLN a CA +25049 C CA B GLN S 113 ? 0.6516 0.5815 0.5460 0.0300 0.0035 0.0121 113 GLN a CA +25050 C C A GLN S 113 ? 0.6545 0.5887 0.5518 0.0281 0.0055 0.0126 113 GLN a C +25051 C C B GLN S 113 ? 0.6536 0.5878 0.5509 0.0281 0.0055 0.0126 113 GLN a C +25052 O O A GLN S 113 ? 0.7098 0.6419 0.6038 0.0282 0.0069 0.0125 113 GLN a O +25053 O O B GLN S 113 ? 0.7115 0.6435 0.6055 0.0282 0.0069 0.0125 113 GLN a O +25054 C CB A GLN S 113 ? 0.5826 0.5161 0.4793 0.0336 0.0041 0.0114 113 GLN a CB +25055 C CB B GLN S 113 ? 0.5812 0.5144 0.4777 0.0336 0.0041 0.0114 113 GLN a CB +25056 C CG A GLN S 113 ? 0.6833 0.6109 0.5749 0.0365 0.0030 0.0107 113 GLN a CG +25057 C CG B GLN S 113 ? 0.6829 0.6101 0.5741 0.0364 0.0030 0.0108 113 GLN a CG +25058 C CD A GLN S 113 ? 0.7885 0.7191 0.6814 0.0406 0.0040 0.0099 113 GLN a CD +25059 C CD B GLN S 113 ? 0.7938 0.7238 0.6862 0.0405 0.0038 0.0100 113 GLN a CD +25060 O OE1 A GLN S 113 ? 0.7294 0.6660 0.6263 0.0413 0.0060 0.0098 113 GLN a OE1 +25061 O OE1 B GLN S 113 ? 0.7332 0.6689 0.6293 0.0415 0.0058 0.0097 113 GLN a OE1 +25062 N NE2 A GLN S 113 ? 0.6894 0.6160 0.5791 0.0433 0.0027 0.0094 113 GLN a NE2 +25063 N NE2 B GLN S 113 ? 0.6803 0.6060 0.5695 0.0429 0.0024 0.0095 113 GLN a NE2 +25064 N N . LEU S 114 ? 0.6304 0.5704 0.5335 0.0264 0.0055 0.0131 114 LEU a N +25065 C CA . LEU S 114 ? 0.6923 0.6359 0.5981 0.0243 0.0073 0.0137 114 LEU a CA +25066 C C . LEU S 114 ? 0.6977 0.6366 0.5994 0.0219 0.0071 0.0142 114 LEU a C +25067 O O . LEU S 114 ? 0.7020 0.6405 0.6020 0.0215 0.0089 0.0144 114 LEU a O +25068 C CB . LEU S 114 ? 0.5716 0.5213 0.4839 0.0225 0.0069 0.0141 114 LEU a CB +25069 C CG . LEU S 114 ? 0.7183 0.6727 0.6343 0.0204 0.0090 0.0146 114 LEU a CG +25070 C CD1 . LEU S 114 ? 0.6444 0.6061 0.5675 0.0201 0.0091 0.0145 114 LEU a CD1 +25071 C CD2 . LEU S 114 ? 0.6167 0.5682 0.5311 0.0170 0.0085 0.0155 114 LEU a CD2 +25072 N N . ILE S 115 ? 0.6897 0.6248 0.5897 0.0203 0.0048 0.0145 115 ILE a N +25073 C CA . ILE S 115 ? 0.6773 0.6084 0.5740 0.0179 0.0043 0.0149 115 ILE a CA +25074 C C . ILE S 115 ? 0.6662 0.5920 0.5567 0.0193 0.0048 0.0144 115 ILE a C +25075 O O . ILE S 115 ? 0.6957 0.6204 0.5841 0.0184 0.0059 0.0147 115 ILE a O +25076 C CB . ILE S 115 ? 0.6929 0.6216 0.5896 0.0160 0.0018 0.0152 115 ILE a CB +25077 C CG1 . ILE S 115 ? 0.6197 0.5534 0.5221 0.0142 0.0014 0.0157 115 ILE a CG1 +25078 C CG2 . ILE S 115 ? 0.6354 0.5597 0.5283 0.0140 0.0012 0.0154 115 ILE a CG2 +25079 C CD1 . ILE S 115 ? 0.6653 0.5974 0.5682 0.0133 -0.0009 0.0158 115 ILE a CD1 +25080 N N A ILE S 116 ? 0.6493 0.5714 0.5365 0.0215 0.0041 0.0137 116 ILE a N +25081 N N B ILE S 116 ? 0.6485 0.5707 0.5358 0.0215 0.0041 0.0137 116 ILE a N +25082 C CA A ILE S 116 ? 0.7239 0.6403 0.6050 0.0224 0.0043 0.0131 116 ILE a CA +25083 C CA B ILE S 116 ? 0.7247 0.6411 0.6057 0.0224 0.0043 0.0131 116 ILE a CA +25084 C C A ILE S 116 ? 0.7210 0.6389 0.6010 0.0243 0.0069 0.0129 116 ILE a C +25085 C C B ILE S 116 ? 0.7218 0.6397 0.6018 0.0243 0.0069 0.0129 116 ILE a C +25086 O O A ILE S 116 ? 0.7307 0.6450 0.6062 0.0241 0.0075 0.0128 116 ILE a O +25087 O O B ILE S 116 ? 0.7315 0.6460 0.6071 0.0241 0.0075 0.0128 116 ILE a O +25088 C CB A ILE S 116 ? 0.7561 0.6672 0.6331 0.0241 0.0028 0.0123 116 ILE a CB +25089 C CB B ILE S 116 ? 0.7580 0.6691 0.6350 0.0241 0.0028 0.0123 116 ILE a CB +25090 C CG1 A ILE S 116 ? 0.7156 0.6290 0.5942 0.0274 0.0035 0.0118 116 ILE a CG1 +25091 C CG1 B ILE S 116 ? 0.7148 0.6280 0.5931 0.0275 0.0036 0.0118 116 ILE a CG1 +25092 C CG2 A ILE S 116 ? 0.6326 0.5410 0.5096 0.0219 0.0003 0.0126 116 ILE a CG2 +25093 C CG2 B ILE S 116 ? 0.6330 0.5419 0.5103 0.0220 0.0004 0.0126 116 ILE a CG2 +25094 C CD1 A ILE S 116 ? 0.7384 0.6459 0.6119 0.0296 0.0026 0.0110 116 ILE a CD1 +25095 C CD1 B ILE S 116 ? 0.7395 0.6468 0.6129 0.0295 0.0025 0.0110 116 ILE a CD1 +25096 N N A PHE S 117 ? 0.6800 0.6031 0.5639 0.0261 0.0084 0.0128 117 PHE a N +25097 N N B PHE S 117 ? 0.6799 0.6030 0.5638 0.0261 0.0085 0.0128 117 PHE a N +25098 C CA A PHE S 117 ? 0.7383 0.6630 0.6213 0.0279 0.0112 0.0125 117 PHE a CA +25099 C CA B PHE S 117 ? 0.7385 0.6632 0.6214 0.0279 0.0112 0.0125 117 PHE a CA +25100 C C A PHE S 117 ? 0.7559 0.6827 0.6398 0.0255 0.0127 0.0133 117 PHE a C +25101 C C B PHE S 117 ? 0.7569 0.6837 0.6409 0.0256 0.0127 0.0133 117 PHE a C +25102 O O A PHE S 117 ? 0.7177 0.6421 0.5976 0.0260 0.0142 0.0132 117 PHE a O +25103 O O B PHE S 117 ? 0.7182 0.6427 0.5982 0.0260 0.0143 0.0132 117 PHE a O +25104 C CB A PHE S 117 ? 0.7233 0.6536 0.6106 0.0304 0.0125 0.0121 117 PHE a CB +25105 C CB B PHE S 117 ? 0.7226 0.6529 0.6100 0.0304 0.0125 0.0120 117 PHE a CB +25106 C CG A PHE S 117 ? 0.7913 0.7193 0.6771 0.0333 0.0112 0.0112 117 PHE a CG +25107 C CG B PHE S 117 ? 0.7917 0.7196 0.6775 0.0333 0.0112 0.0112 117 PHE a CG +25108 C CD1 A PHE S 117 ? 0.8143 0.7350 0.6939 0.0340 0.0098 0.0108 117 PHE a CD1 +25109 C CD1 B PHE S 117 ? 0.8153 0.7359 0.6948 0.0340 0.0098 0.0108 117 PHE a CD1 +25110 C CD2 A PHE S 117 ? 0.7903 0.7233 0.6808 0.0352 0.0113 0.0109 117 PHE a CD2 +25111 C CD2 B PHE S 117 ? 0.7906 0.7235 0.6810 0.0353 0.0113 0.0109 117 PHE a CD2 +25112 C CE1 A PHE S 117 ? 0.8881 0.8061 0.7658 0.0366 0.0087 0.0101 117 PHE a CE1 +25113 C CE1 B PHE S 117 ? 0.8903 0.8082 0.7679 0.0366 0.0086 0.0101 117 PHE a CE1 +25114 C CE2 A PHE S 117 ? 0.7962 0.7266 0.6848 0.0380 0.0100 0.0102 117 PHE a CE2 +25115 C CE2 B PHE S 117 ? 0.7972 0.7277 0.6858 0.0382 0.0101 0.0102 117 PHE a CE2 +25116 C CZ A PHE S 117 ? 0.7658 0.6886 0.6479 0.0387 0.0088 0.0098 117 PHE a CZ +25117 C CZ B PHE S 117 ? 0.7656 0.6882 0.6476 0.0388 0.0088 0.0098 117 PHE a CZ +25118 N N . HIS S 118 ? 0.6754 0.6063 0.5644 0.0231 0.0123 0.0141 118 HIS a N +25119 C CA . HIS S 118 ? 0.7290 0.6613 0.6186 0.0207 0.0137 0.0149 118 HIS a CA +25120 C C . HIS S 118 ? 0.7196 0.6459 0.6037 0.0192 0.0124 0.0152 118 HIS a C +25121 O O . HIS S 118 ? 0.7195 0.6444 0.6008 0.0187 0.0139 0.0155 118 HIS a O +25122 C CB . HIS S 118 ? 0.5499 0.4873 0.4457 0.0184 0.0133 0.0156 118 HIS a CB +25123 C CG . HIS S 118 ? 0.7800 0.7242 0.6815 0.0193 0.0151 0.0155 118 HIS a CG +25124 N ND1 . HIS S 118 ? 0.6586 0.6060 0.5638 0.0209 0.0142 0.0149 118 HIS a ND1 +25125 C CD2 . HIS S 118 ? 0.7020 0.6506 0.6063 0.0187 0.0178 0.0158 118 HIS a CD2 +25126 C CE1 . HIS S 118 ? 0.7166 0.6704 0.6269 0.0213 0.0162 0.0148 118 HIS a CE1 +25127 N NE2 . HIS S 118 ? 0.6634 0.6180 0.5733 0.0199 0.0185 0.0153 118 HIS a NE2 +25128 N N . PHE S 119 ? 0.7411 0.6637 0.6236 0.0186 0.0097 0.0150 119 PHE a N +25129 C CA . PHE S 119 ? 0.7135 0.6307 0.5912 0.0171 0.0083 0.0151 119 PHE a CA +25130 C C . PHE S 119 ? 0.7508 0.6633 0.6222 0.0189 0.0091 0.0144 119 PHE a C +25131 O O . PHE S 119 ? 0.7134 0.6233 0.5813 0.0180 0.0094 0.0146 119 PHE a O +25132 C CB . PHE S 119 ? 0.6761 0.5907 0.5538 0.0160 0.0054 0.0149 119 PHE a CB +25133 C CG . PHE S 119 ? 0.6784 0.5874 0.5510 0.0150 0.0038 0.0146 119 PHE a CG +25134 C CD1 . PHE S 119 ? 0.6976 0.6062 0.5700 0.0126 0.0033 0.0152 119 PHE a CD1 +25135 C CD2 . PHE S 119 ? 0.6150 0.5190 0.4830 0.0164 0.0029 0.0136 119 PHE a CD2 +25136 C CE1 . PHE S 119 ? 0.7546 0.6583 0.6225 0.0118 0.0017 0.0148 119 PHE a CE1 +25137 C CE2 . PHE S 119 ? 0.7408 0.6397 0.6042 0.0153 0.0014 0.0132 119 PHE a CE2 +25138 C CZ . PHE S 119 ? 0.7658 0.6648 0.6293 0.0131 0.0007 0.0138 119 PHE a CZ +25139 N N A LEU S 120 ? 0.7267 0.6376 0.5963 0.0215 0.0093 0.0135 120 LEU a N +25140 N N B LEU S 120 ? 0.7275 0.6384 0.5971 0.0215 0.0092 0.0135 120 LEU a N +25141 C CA A LEU S 120 ? 0.7270 0.6330 0.5903 0.0233 0.0099 0.0127 120 LEU a CA +25142 C CA B LEU S 120 ? 0.7262 0.6323 0.5896 0.0233 0.0099 0.0127 120 LEU a CA +25143 C C A LEU S 120 ? 0.7452 0.6531 0.6076 0.0240 0.0128 0.0130 120 LEU a C +25144 C C B LEU S 120 ? 0.7463 0.6542 0.6088 0.0240 0.0128 0.0130 120 LEU a C +25145 O O A LEU S 120 ? 0.7503 0.6542 0.6075 0.0241 0.0132 0.0129 120 LEU a O +25146 O O B LEU S 120 ? 0.7489 0.6528 0.6062 0.0239 0.0131 0.0129 120 LEU a O +25147 C CB A LEU S 120 ? 0.6825 0.5865 0.5442 0.0261 0.0096 0.0117 120 LEU a CB +25148 C CB B LEU S 120 ? 0.6799 0.5843 0.5419 0.0262 0.0097 0.0117 120 LEU a CB +25149 C CG A LEU S 120 ? 0.7854 0.6854 0.6457 0.0255 0.0068 0.0113 120 LEU a CG +25150 C CG B LEU S 120 ? 0.7881 0.6883 0.6485 0.0256 0.0069 0.0113 120 LEU a CG +25151 C CD1 A LEU S 120 ? 0.6937 0.5918 0.5525 0.0284 0.0067 0.0104 120 LEU a CD1 +25152 C CD1 B LEU S 120 ? 0.6928 0.5910 0.5516 0.0286 0.0067 0.0104 120 LEU a CD1 +25153 C CD2 A LEU S 120 ? 0.6942 0.5883 0.5491 0.0240 0.0052 0.0110 120 LEU a CD2 +25154 C CD2 B LEU S 120 ? 0.6931 0.5873 0.5480 0.0242 0.0054 0.0109 120 LEU a CD2 +25155 N N . LEU S 121 ? 0.7163 0.6302 0.5838 0.0245 0.0149 0.0134 121 LEU a N +25156 C CA . LEU S 121 ? 0.7786 0.6950 0.6461 0.0247 0.0179 0.0138 121 LEU a CA +25157 C C . LEU S 121 ? 0.7633 0.6784 0.6295 0.0219 0.0177 0.0148 121 LEU a C +25158 O O . LEU S 121 ? 0.7367 0.6490 0.5982 0.0221 0.0190 0.0149 121 LEU a O +25159 C CB . LEU S 121 ? 0.7305 0.6542 0.6048 0.0251 0.0198 0.0141 121 LEU a CB +25160 C CG . LEU S 121 ? 1.1030 1.0288 0.9772 0.0281 0.0224 0.0134 121 LEU a CG +25161 C CD1 . LEU S 121 ? 0.9792 0.9127 0.8608 0.0283 0.0239 0.0135 121 LEU a CD1 +25162 C CD2 . LEU S 121 ? 1.0320 0.9556 0.9015 0.0283 0.0249 0.0136 121 LEU a CD2 +25163 N N . GLY S 122 ? 0.7674 0.6845 0.6375 0.0195 0.0161 0.0155 122 GLY a N +25164 C CA . GLY S 122 ? 0.6425 0.5588 0.5118 0.0170 0.0159 0.0164 122 GLY a CA +25165 C C . GLY S 122 ? 0.6616 0.5715 0.5244 0.0167 0.0142 0.0162 122 GLY a C +25166 O O . GLY S 122 ? 0.7294 0.6372 0.5890 0.0158 0.0148 0.0167 122 GLY a O +25167 N N . ALA S 123 ? 0.6898 0.5962 0.5505 0.0174 0.0119 0.0153 123 ALA a N +25168 C CA . ALA S 123 ? 0.7141 0.6145 0.5689 0.0170 0.0100 0.0148 123 ALA a CA +25169 C C . ALA S 123 ? 0.7353 0.6320 0.5840 0.0190 0.0115 0.0142 123 ALA a C +25170 O O . ALA S 123 ? 0.6971 0.5897 0.5408 0.0185 0.0108 0.0142 123 ALA a O +25171 C CB . ALA S 123 ? 0.6648 0.5627 0.5194 0.0168 0.0072 0.0141 123 ALA a CB +25172 N N . SER S 124 ? 0.6766 0.5747 0.5254 0.0215 0.0135 0.0137 124 SER a N +25173 C CA . SER S 124 ? 0.7071 0.6021 0.5503 0.0235 0.0154 0.0132 124 SER a CA +25174 C C . SER S 124 ? 0.8081 0.7041 0.6501 0.0227 0.0176 0.0141 124 SER a C +25175 O O . SER S 124 ? 0.7462 0.6378 0.5820 0.0232 0.0180 0.0140 124 SER a O +25176 C CB . SER S 124 ? 0.6741 0.5713 0.5186 0.0263 0.0173 0.0125 124 SER a CB +25177 O OG . SER S 124 ? 0.7392 0.6339 0.5832 0.0273 0.0152 0.0116 124 SER a OG +25178 N N . CYS S 125 ? 0.6518 0.5533 0.4994 0.0215 0.0192 0.0152 125 CYS a N +25179 C CA . CYS S 125 ? 0.6922 0.5947 0.5391 0.0204 0.0213 0.0162 125 CYS a CA +25180 C C . CYS S 125 ? 0.8486 0.7479 0.6929 0.0182 0.0192 0.0168 125 CYS a C +25181 O O . CYS S 125 ? 0.7942 0.6914 0.6347 0.0178 0.0204 0.0175 125 CYS a O +25182 C CB . CYS S 125 ? 0.5939 0.5032 0.4479 0.0193 0.0233 0.0170 125 CYS a CB +25183 S SG . CYS S 125 ? 0.7955 0.7091 0.6522 0.0221 0.0264 0.0163 125 CYS a SG +25184 N N . TYR S 126 ? 0.6847 0.5834 0.5310 0.0168 0.0161 0.0167 126 TYR a N +25185 C CA . TYR S 126 ? 0.7343 0.6298 0.5780 0.0150 0.0138 0.0171 126 TYR a CA +25186 C C . TYR S 126 ? 0.7489 0.6384 0.5849 0.0162 0.0131 0.0163 126 TYR a C +25187 O O . TYR S 126 ? 0.7555 0.6424 0.5877 0.0155 0.0129 0.0169 126 TYR a O +25188 C CB . TYR S 126 ? 0.6761 0.5723 0.5235 0.0136 0.0107 0.0168 126 TYR a CB +25189 C CG . TYR S 126 ? 0.6338 0.5279 0.4800 0.0116 0.0082 0.0172 126 TYR a CG +25190 C CD1 . TYR S 126 ? 0.7338 0.6229 0.5750 0.0117 0.0059 0.0164 126 TYR a CD1 +25191 C CD2 . TYR S 126 ? 0.7011 0.5981 0.5512 0.0096 0.0082 0.0183 126 TYR a CD2 +25192 C CE1 . TYR S 126 ? 0.6626 0.5501 0.5030 0.0101 0.0035 0.0166 126 TYR a CE1 +25193 C CE2 . TYR S 126 ? 0.6627 0.5578 0.5117 0.0080 0.0060 0.0186 126 TYR a CE2 +25194 C CZ . TYR S 126 ? 0.7205 0.6109 0.5647 0.0083 0.0036 0.0177 126 TYR a CZ +25195 O OH . TYR S 126 ? 0.7291 0.6179 0.5724 0.0069 0.0012 0.0179 126 TYR a OH +25196 N N . MET S 127 ? 0.6972 0.5842 0.5304 0.0182 0.0128 0.0151 127 MET a N +25197 C CA . MET S 127 ? 0.7926 0.6738 0.6183 0.0194 0.0122 0.0142 127 MET a CA +25198 C C . MET S 127 ? 0.8480 0.7284 0.6697 0.0207 0.0153 0.0147 127 MET a C +25199 O O . MET S 127 ? 0.7810 0.6574 0.5971 0.0206 0.0149 0.0148 127 MET a O +25200 C CB . MET S 127 ? 0.7260 0.6048 0.5501 0.0212 0.0113 0.0128 127 MET a CB +25201 C CG . MET S 127 ? 0.7066 0.5791 0.5228 0.0226 0.0106 0.0117 127 MET a CG +25202 S SD . MET S 127 ? 0.8123 0.6811 0.6259 0.0246 0.0095 0.0100 127 MET a SD +25203 C CE . MET S 127 ? 0.7522 0.6254 0.5690 0.0271 0.0133 0.0102 127 MET a CE +25204 N N . GLY S 128 ? 0.7372 0.6215 0.5619 0.0218 0.0185 0.0150 128 GLY a N +25205 C CA . GLY S 128 ? 0.7186 0.6027 0.5401 0.0227 0.0219 0.0156 128 GLY a CA +25206 C C . GLY S 128 ? 0.7544 0.6384 0.5752 0.0207 0.0222 0.0169 128 GLY a C +25207 O O . GLY S 128 ? 0.7896 0.6702 0.6046 0.0212 0.0234 0.0172 128 GLY a O +25208 N N . ARG S 129 ? 0.7896 0.6772 0.6163 0.0185 0.0212 0.0178 129 ARG a N +25209 C CA . ARG S 129 ? 0.7854 0.6730 0.6119 0.0165 0.0212 0.0191 129 ARG a CA +25210 C C . ARG S 129 ? 0.7458 0.6277 0.5661 0.0162 0.0185 0.0189 129 ARG a C +25211 O O . ARG S 129 ? 0.7388 0.6186 0.5556 0.0156 0.0193 0.0199 129 ARG a O +25212 C CB . ARG S 129 ? 0.8165 0.7088 0.6506 0.0143 0.0201 0.0197 129 ARG a CB +25213 C CG . ARG S 129 ? 0.7301 0.6228 0.5650 0.0121 0.0200 0.0211 129 ARG a CG +25214 C CD . ARG S 129 ? 0.6282 0.5264 0.4711 0.0104 0.0200 0.0217 129 ARG a CD +25215 N NE . ARG S 129 ? 0.7234 0.6215 0.5671 0.0082 0.0194 0.0229 129 ARG a NE +25216 C CZ . ARG S 129 ? 0.7025 0.5991 0.5465 0.0071 0.0161 0.0229 129 ARG a CZ +25217 N NH1 . ARG S 129 ? 0.7397 0.6348 0.5832 0.0076 0.0132 0.0218 129 ARG a NH1 +25218 N NH2 . ARG S 129 ? 0.6629 0.5596 0.5077 0.0053 0.0158 0.0240 129 ARG a NH2 +25219 N N A GLN S 130 ? 0.7178 0.5969 0.5365 0.0166 0.0154 0.0177 130 GLN a N +25220 N N B GLN S 130 ? 0.7175 0.5967 0.5362 0.0166 0.0154 0.0177 130 GLN a N +25221 C CA A GLN S 130 ? 0.7482 0.6221 0.5610 0.0164 0.0128 0.0174 130 GLN a CA +25222 C CA B GLN S 130 ? 0.7488 0.6226 0.5615 0.0165 0.0128 0.0173 130 GLN a CA +25223 C C A GLN S 130 ? 0.8101 0.6794 0.6149 0.0184 0.0143 0.0170 130 GLN a C +25224 C C B GLN S 130 ? 0.8113 0.6807 0.6162 0.0184 0.0144 0.0170 130 GLN a C +25225 O O A GLN S 130 ? 0.8092 0.6748 0.6088 0.0182 0.0135 0.0174 130 GLN a O +25226 O O B GLN S 130 ? 0.8108 0.6765 0.6105 0.0182 0.0136 0.0174 130 GLN a O +25227 C CB A GLN S 130 ? 0.7334 0.6057 0.5467 0.0162 0.0092 0.0160 130 GLN a CB +25228 C CB B GLN S 130 ? 0.7321 0.6043 0.5452 0.0163 0.0092 0.0160 130 GLN a CB +25229 C CG A GLN S 130 ? 0.7568 0.6325 0.5766 0.0141 0.0070 0.0164 130 GLN a CG +25230 C CG B GLN S 130 ? 0.7590 0.6345 0.5785 0.0142 0.0070 0.0163 130 GLN a CG +25231 C CD A GLN S 130 ? 0.7579 0.6317 0.5777 0.0139 0.0037 0.0150 130 GLN a CD +25232 C CD B GLN S 130 ? 0.7592 0.6329 0.5789 0.0140 0.0038 0.0149 130 GLN a CD +25233 O OE1 A GLN S 130 ? 0.7772 0.6489 0.5946 0.0153 0.0038 0.0139 130 GLN a OE1 +25234 O OE1 B GLN S 130 ? 0.7787 0.6505 0.5963 0.0154 0.0039 0.0138 130 GLN a OE1 +25235 N NE2 A GLN S 130 ? 0.7310 0.6054 0.5534 0.0120 0.0010 0.0151 130 GLN a NE2 +25236 N NE2 B GLN S 130 ? 0.7322 0.6063 0.5542 0.0121 0.0010 0.0150 130 GLN a NE2 +25237 N N . TRP S 131 ? 0.7017 0.5711 0.5054 0.0203 0.0166 0.0163 131 TRP a N +25238 C CA . TRP S 131 ? 0.6985 0.5638 0.4947 0.0222 0.0186 0.0161 131 TRP a CA +25239 C C . TRP S 131 ? 0.8237 0.6901 0.6192 0.0215 0.0217 0.0177 131 TRP a C +25240 O O . TRP S 131 ? 0.7520 0.6142 0.5412 0.0217 0.0217 0.0182 131 TRP a O +25241 C CB . TRP S 131 ? 0.7465 0.6119 0.5418 0.0245 0.0208 0.0151 131 TRP a CB +25242 C CG . TRP S 131 ? 0.8738 0.7367 0.6630 0.0260 0.0240 0.0155 131 TRP a CG +25243 C CD1 . TRP S 131 ? 0.8023 0.6589 0.5828 0.0271 0.0233 0.0150 131 TRP a CD1 +25244 C CD2 . TRP S 131 ? 0.7740 0.6403 0.5650 0.0263 0.0283 0.0165 131 TRP a CD2 +25245 N NE1 . TRP S 131 ? 0.8228 0.6787 0.5995 0.0281 0.0271 0.0157 131 TRP a NE1 +25246 C CE2 . TRP S 131 ? 0.8783 0.7401 0.6614 0.0276 0.0303 0.0166 131 TRP a CE2 +25247 C CE3 . TRP S 131 ? 0.7776 0.6504 0.5762 0.0255 0.0308 0.0173 131 TRP a CE3 +25248 C CZ2 . TRP S 131 ? 0.7760 0.6396 0.5586 0.0280 0.0347 0.0175 131 TRP a CZ2 +25249 C CZ3 . TRP S 131 ? 0.7932 0.6681 0.5916 0.0258 0.0351 0.0181 131 TRP a CZ3 +25250 C CH2 . TRP S 131 ? 0.8550 0.7253 0.6455 0.0271 0.0371 0.0183 131 TRP a CH2 +25251 N N . GLU S 132 ? 0.7668 0.6389 0.5690 0.0206 0.0241 0.0186 132 GLU a N +25252 C CA . GLU S 132 ? 0.8348 0.7085 0.6369 0.0201 0.0277 0.0201 132 GLU a CA +25253 C C . GLU S 132 ? 0.9633 0.8343 0.7626 0.0184 0.0265 0.0213 132 GLU a C +25254 O O . GLU S 132 ? 0.7736 0.6415 0.5672 0.0188 0.0285 0.0220 132 GLU a O +25255 C CB . GLU S 132 ? 0.7416 0.6222 0.5523 0.0191 0.0299 0.0206 132 GLU a CB +25256 C CG . GLU S 132 ? 0.7899 0.6727 0.6010 0.0184 0.0340 0.0219 132 GLU a CG +25257 C CD . GLU S 132 ? 0.8844 0.7743 0.7041 0.0174 0.0362 0.0223 132 GLU a CD +25258 O OE1 . GLU S 132 ? 0.8562 0.7494 0.6810 0.0179 0.0348 0.0214 132 GLU a OE1 +25259 O OE2 . GLU S 132 ? 0.8174 0.7094 0.6386 0.0161 0.0391 0.0235 132 GLU a OE2 +25260 N N . LEU S 133 ? 0.7323 0.6044 0.5354 0.0167 0.0233 0.0215 133 LEU a N +25261 C CA . LEU S 133 ? 0.8255 0.6950 0.6259 0.0153 0.0220 0.0226 133 LEU a CA +25262 C C . LEU S 133 ? 0.7973 0.6603 0.5889 0.0167 0.0201 0.0220 133 LEU a C +25263 O O . LEU S 133 ? 0.7914 0.6510 0.5780 0.0165 0.0206 0.0230 133 LEU a O +25264 C CB . LEU S 133 ? 0.6786 0.5506 0.4847 0.0134 0.0189 0.0227 133 LEU a CB +25265 C CG . LEU S 133 ? 0.7853 0.6551 0.5893 0.0120 0.0178 0.0240 133 LEU a CG +25266 C CD1 . LEU S 133 ? 0.6598 0.5307 0.4638 0.0112 0.0217 0.0256 133 LEU a CD1 +25267 C CD2 . LEU S 133 ? 0.7107 0.5830 0.5203 0.0103 0.0146 0.0240 133 LEU a CD2 +25268 N N A SER S 134 ? 0.7539 0.6147 0.5434 0.0179 0.0178 0.0204 134 SER a N +25269 N N B SER S 134 ? 0.7535 0.6143 0.5430 0.0179 0.0178 0.0204 134 SER a N +25270 C CA A SER S 134 ? 0.8359 0.6906 0.6172 0.0191 0.0158 0.0196 134 SER a CA +25271 C CA B SER S 134 ? 0.8371 0.6917 0.6183 0.0191 0.0158 0.0196 134 SER a CA +25272 C C A SER S 134 ? 0.8962 0.7475 0.6704 0.0206 0.0191 0.0202 134 SER a C +25273 C C B SER S 134 ? 0.8985 0.7498 0.6727 0.0206 0.0191 0.0202 134 SER a C +25274 O O A SER S 134 ? 0.8130 0.6595 0.5803 0.0211 0.0182 0.0204 134 SER a O +25275 O O B SER S 134 ? 0.8125 0.6589 0.5797 0.0211 0.0183 0.0205 134 SER a O +25276 C CB A SER S 134 ? 0.7737 0.6267 0.5540 0.0202 0.0132 0.0177 134 SER a CB +25277 C CB B SER S 134 ? 0.7730 0.6260 0.5532 0.0201 0.0132 0.0177 134 SER a CB +25278 O OG A SER S 134 ? 0.8219 0.6746 0.6003 0.0221 0.0159 0.0170 134 SER a OG +25279 O OG B SER S 134 ? 0.8224 0.6749 0.6006 0.0221 0.0158 0.0170 134 SER a OG +25280 N N . TYR S 135 ? 0.7589 0.6129 0.5350 0.0214 0.0230 0.0203 135 TYR a N +25281 C CA . TYR S 135 ? 0.8709 0.7223 0.6409 0.0228 0.0268 0.0209 135 TYR a CA +25282 C C . TYR S 135 ? 0.8837 0.7351 0.6530 0.0214 0.0289 0.0228 135 TYR a C +25283 O O . TYR S 135 ? 0.8669 0.7135 0.6286 0.0222 0.0301 0.0234 135 TYR a O +25284 C CB . TYR S 135 ? 0.8489 0.7040 0.6222 0.0240 0.0302 0.0204 135 TYR a CB +25285 C CG . TYR S 135 ? 0.8365 0.6891 0.6038 0.0258 0.0342 0.0205 135 TYR a CG +25286 C CD1 . TYR S 135 ? 0.8752 0.7218 0.6340 0.0279 0.0335 0.0194 135 TYR a CD1 +25287 C CD2 . TYR S 135 ? 0.9262 0.7825 0.6963 0.0253 0.0388 0.0216 135 TYR a CD2 +25288 C CE1 . TYR S 135 ? 0.8395 0.6838 0.5925 0.0296 0.0373 0.0195 135 TYR a CE1 +25289 C CE2 . TYR S 135 ? 0.9214 0.7757 0.6861 0.0270 0.0427 0.0217 135 TYR a CE2 +25290 C CZ . TYR S 135 ? 0.8540 0.7021 0.6099 0.0292 0.0420 0.0207 135 TYR a CZ +25291 O OH . TYR S 135 ? 0.9359 0.7818 0.6862 0.0308 0.0460 0.0208 135 TYR a OH +25292 N N . ARG S 136 ? 0.7953 0.6518 0.5722 0.0194 0.0294 0.0238 136 ARG a N +25293 C CA . ARG S 136 ? 0.7138 0.5700 0.4901 0.0178 0.0313 0.0256 136 ARG a CA +25294 C C . ARG S 136 ? 0.9013 0.7524 0.6722 0.0175 0.0281 0.0261 136 ARG a C +25295 O O . ARG S 136 ? 0.8860 0.7346 0.6531 0.0170 0.0297 0.0275 136 ARG a O +25296 C CB . ARG S 136 ? 0.7849 0.6474 0.5706 0.0156 0.0322 0.0264 136 ARG a CB +25297 C CG . ARG S 136 ? 0.8165 0.6852 0.6094 0.0157 0.0344 0.0258 136 ARG a CG +25298 C CD . ARG S 136 ? 0.8378 0.7073 0.6288 0.0169 0.0392 0.0260 136 ARG a CD +25299 N NE . ARG S 136 ? 0.8990 0.7752 0.6980 0.0167 0.0412 0.0255 136 ARG a NE +25300 C CZ . ARG S 136 ? 0.8785 0.7564 0.6775 0.0185 0.0440 0.0247 136 ARG a CZ +25301 N NH1 . ARG S 136 ? 0.8148 0.6882 0.6061 0.0205 0.0456 0.0243 136 ARG a NH1 +25302 N NH2 . ARG S 136 ? 0.8655 0.7497 0.6722 0.0185 0.0451 0.0241 136 ARG a NH2 +25303 N N A LEU S 137 ? 0.8403 0.6899 0.6107 0.0179 0.0236 0.0249 137 LEU a N +25304 N N B LEU S 137 ? 0.8412 0.6909 0.6119 0.0178 0.0236 0.0249 137 LEU a N +25305 C CA A LEU S 137 ? 0.8822 0.7277 0.6484 0.0176 0.0203 0.0253 137 LEU a CA +25306 C CA B LEU S 137 ? 0.8835 0.7291 0.6499 0.0175 0.0202 0.0253 137 LEU a CA +25307 C C A LEU S 137 ? 0.8632 0.7023 0.6199 0.0196 0.0188 0.0244 137 LEU a C +25308 C C B LEU S 137 ? 0.8641 0.7034 0.6210 0.0196 0.0188 0.0244 137 LEU a C +25309 O O A LEU S 137 ? 0.8209 0.6563 0.5733 0.0197 0.0158 0.0245 137 LEU a O +25310 O O B LEU S 137 ? 0.8209 0.6564 0.5736 0.0197 0.0158 0.0245 137 LEU a O +25311 C CB A LEU S 137 ? 0.8177 0.6659 0.5899 0.0163 0.0161 0.0246 137 LEU a CB +25312 C CB B LEU S 137 ? 0.8167 0.6650 0.5891 0.0163 0.0160 0.0246 137 LEU a CB +25313 C CG A LEU S 137 ? 0.8840 0.7379 0.6651 0.0141 0.0167 0.0255 137 LEU a CG +25314 C CG B LEU S 137 ? 0.8858 0.7397 0.6670 0.0141 0.0166 0.0255 137 LEU a CG +25315 C CD1 A LEU S 137 ? 0.7830 0.6386 0.5687 0.0131 0.0122 0.0247 137 LEU a CD1 +25316 C CD1 B LEU S 137 ? 0.7824 0.6381 0.5682 0.0130 0.0122 0.0248 137 LEU a CD1 +25317 C CD2 A LEU S 137 ? 0.7854 0.6390 0.5660 0.0130 0.0191 0.0274 137 LEU a CD2 +25318 C CD2 B LEU S 137 ? 0.7850 0.6385 0.5654 0.0130 0.0192 0.0274 137 LEU a CD2 +25319 N N A GLY S 138 ? 0.8533 0.6910 0.6065 0.0213 0.0207 0.0235 138 GLY a N +25320 N N B GLY S 138 ? 0.8534 0.6912 0.6068 0.0213 0.0208 0.0235 138 GLY a N +25321 C CA A GLY S 138 ? 0.7696 0.6010 0.5136 0.0233 0.0193 0.0225 138 GLY a CA +25322 C CA B GLY S 138 ? 0.7676 0.5993 0.5119 0.0233 0.0193 0.0225 138 GLY a CA +25323 C C A GLY S 138 ? 0.9062 0.7365 0.6502 0.0237 0.0144 0.0207 138 GLY a C +25324 C C B GLY S 138 ? 0.9079 0.7384 0.6523 0.0236 0.0145 0.0207 138 GLY a C +25325 O O A GLY S 138 ? 0.8511 0.6762 0.5880 0.0247 0.0119 0.0200 138 GLY a O +25326 O O B GLY S 138 ? 0.8503 0.6758 0.5878 0.0246 0.0118 0.0200 138 GLY a O +25327 N N A MET S 139 ? 0.9148 0.7497 0.6665 0.0227 0.0131 0.0198 139 MET a N +25328 N N B MET S 139 ? 0.9155 0.7506 0.6676 0.0226 0.0132 0.0199 139 MET a N +25329 C CA A MET S 139 ? 0.8276 0.6619 0.5804 0.0227 0.0088 0.0181 139 MET a CA +25330 C CA B MET S 139 ? 0.8266 0.6611 0.5796 0.0226 0.0089 0.0181 139 MET a CA +25331 C C A MET S 139 ? 0.8392 0.6720 0.5895 0.0243 0.0094 0.0164 139 MET a C +25332 C C B MET S 139 ? 0.8392 0.6720 0.5895 0.0243 0.0095 0.0165 139 MET a C +25333 O O A MET S 139 ? 0.8361 0.6698 0.5862 0.0253 0.0132 0.0167 139 MET a O +25334 O O B MET S 139 ? 0.8365 0.6702 0.5865 0.0253 0.0133 0.0167 139 MET a O +25335 C CB A MET S 139 ? 0.9357 0.7756 0.6980 0.0207 0.0072 0.0181 139 MET a CB +25336 C CB B MET S 139 ? 0.9381 0.7782 0.7007 0.0207 0.0073 0.0181 139 MET a CB +25337 C CG A MET S 139 ? 0.9179 0.7592 0.6831 0.0190 0.0054 0.0192 139 MET a CG +25338 C CG B MET S 139 ? 0.9198 0.7614 0.6854 0.0190 0.0057 0.0193 139 MET a CG +25339 S SD A MET S 139 ? 0.8446 0.6927 0.6210 0.0168 0.0046 0.0193 139 MET a SD +25340 S SD B MET S 139 ? 0.8457 0.6941 0.6226 0.0168 0.0048 0.0194 139 MET a SD +25341 C CE A MET S 139 ? 0.6563 0.5044 0.4343 0.0172 0.0018 0.0171 139 MET a CE +25342 C CE B MET S 139 ? 0.6538 0.5019 0.4319 0.0171 0.0015 0.0171 139 MET a CE +25343 N N A ARG S 140 ? 0.7738 0.6044 0.5227 0.0245 0.0056 0.0147 140 ARG a N +25344 N N B ARG S 140 ? 0.7719 0.6025 0.5208 0.0245 0.0057 0.0147 140 ARG a N +25345 C CA A ARG S 140 ? 0.8570 0.6864 0.6048 0.0258 0.0058 0.0130 140 ARG a CA +25346 C CA B ARG S 140 ? 0.8576 0.6872 0.6056 0.0257 0.0059 0.0131 140 ARG a CA +25347 C C A ARG S 140 ? 0.9049 0.7400 0.6615 0.0248 0.0067 0.0130 140 ARG a C +25348 C C B ARG S 140 ? 0.9070 0.7423 0.6640 0.0248 0.0068 0.0131 140 ARG a C +25349 O O A ARG S 140 ? 0.7827 0.6221 0.5461 0.0230 0.0062 0.0139 140 ARG a O +25350 O O B ARG S 140 ? 0.7802 0.6198 0.5439 0.0229 0.0064 0.0141 140 ARG a O +25351 C CB A ARG S 140 ? 0.8654 0.6906 0.6088 0.0260 0.0014 0.0112 140 ARG a CB +25352 C CB B ARG S 140 ? 0.8660 0.6913 0.6096 0.0260 0.0015 0.0112 140 ARG a CB +25353 C CG A ARG S 140 ? 0.8320 0.6508 0.5651 0.0279 0.0015 0.0108 140 ARG a CG +25354 C CG B ARG S 140 ? 0.8308 0.6498 0.5641 0.0278 0.0014 0.0109 140 ARG a CG +25355 C CD A ARG S 140 ? 0.8605 0.6755 0.5892 0.0277 -0.0033 0.0096 140 ARG a CD +25356 C CD B ARG S 140 ? 0.8608 0.6762 0.5900 0.0275 -0.0035 0.0096 140 ARG a CD +25357 N NE A ARG S 140 ? 0.8498 0.6653 0.5816 0.0269 -0.0067 0.0077 140 ARG a NE +25358 N NE B ARG S 140 ? 0.8502 0.6660 0.5825 0.0267 -0.0067 0.0077 140 ARG a NE +25359 C CZ A ARG S 140 ? 0.8746 0.6868 0.6026 0.0279 -0.0073 0.0059 140 ARG a CZ +25360 C CZ B ARG S 140 ? 0.8732 0.6857 0.6017 0.0278 -0.0073 0.0059 140 ARG a CZ +25361 N NH1 A ARG S 140 ? 0.8669 0.6752 0.5881 0.0301 -0.0049 0.0056 140 ARG a NH1 +25362 N NH1 B ARG S 140 ? 0.8684 0.6771 0.5901 0.0300 -0.0048 0.0057 140 ARG a NH1 +25363 N NH2 A ARG S 140 ? 0.8771 0.6896 0.6081 0.0268 -0.0105 0.0043 140 ARG a NH2 +25364 N NH2 B ARG S 140 ? 0.8769 0.6898 0.6085 0.0267 -0.0104 0.0043 140 ARG a NH2 +25365 N N A PRO S 141 ? 0.8485 0.6836 0.6051 0.0262 0.0083 0.0120 141 PRO a N +25366 N N B PRO S 141 ? 0.8486 0.6840 0.6057 0.0261 0.0083 0.0121 141 PRO a N +25367 C CA A PRO S 141 ? 0.8168 0.6573 0.5811 0.0258 0.0106 0.0124 141 PRO a CA +25368 C CA B PRO S 141 ? 0.8165 0.6574 0.5813 0.0257 0.0106 0.0125 141 PRO a CA +25369 C C A PRO S 141 ? 0.8262 0.6692 0.5964 0.0248 0.0080 0.0114 141 PRO a C +25370 C C B PRO S 141 ? 0.8278 0.6707 0.5980 0.0249 0.0081 0.0114 141 PRO a C +25371 O O A PRO S 141 ? 0.8340 0.6817 0.6108 0.0244 0.0096 0.0119 141 PRO a O +25372 O O B PRO S 141 ? 0.8400 0.6875 0.6165 0.0247 0.0098 0.0117 141 PRO a O +25373 C CB A PRO S 141 ? 0.8016 0.6408 0.5622 0.0282 0.0141 0.0119 141 PRO a CB +25374 C CB B PRO S 141 ? 0.7987 0.6384 0.5598 0.0281 0.0142 0.0121 141 PRO a CB +25375 C CG A PRO S 141 ? 0.7929 0.6257 0.5456 0.0296 0.0118 0.0103 141 PRO a CG +25376 C CG B PRO S 141 ? 0.7948 0.6280 0.5478 0.0295 0.0121 0.0105 141 PRO a CG +25377 C CD A PRO S 141 ? 0.8464 0.6764 0.5953 0.0285 0.0091 0.0107 141 PRO a CD +25378 C CD B PRO S 141 ? 0.8459 0.6762 0.5954 0.0283 0.0090 0.0107 141 PRO a CD +25379 N N A TRP S 142 ? 0.8005 0.6404 0.5687 0.0243 0.0042 0.0101 142 TRP a N +25380 N N B TRP S 142 ? 0.8001 0.6400 0.5683 0.0243 0.0042 0.0101 142 TRP a N +25381 C CA A TRP S 142 ? 0.7680 0.6084 0.5394 0.0241 0.0026 0.0088 142 TRP a CA +25382 C CA B TRP S 142 ? 0.7661 0.6064 0.5374 0.0241 0.0025 0.0087 142 TRP a CA +25383 C C A TRP S 142 ? 0.8086 0.6528 0.5873 0.0217 0.0002 0.0090 142 TRP a C +25384 C C B TRP S 142 ? 0.8088 0.6529 0.5874 0.0218 0.0002 0.0090 142 TRP a C +25385 O O A TRP S 142 ? 0.7761 0.6199 0.5567 0.0212 -0.0018 0.0079 142 TRP a O +25386 O O B TRP S 142 ? 0.7765 0.6202 0.5569 0.0213 -0.0018 0.0078 142 TRP a O +25387 C CB A TRP S 142 ? 0.8167 0.6511 0.5814 0.0250 0.0001 0.0069 142 TRP a CB +25388 C CB B TRP S 142 ? 0.8162 0.6504 0.5806 0.0250 0.0001 0.0068 142 TRP a CB +25389 C CG A TRP S 142 ? 0.9406 0.7710 0.6980 0.0275 0.0025 0.0064 142 TRP a CG +25390 C CG B TRP S 142 ? 0.9435 0.7738 0.7008 0.0276 0.0025 0.0063 142 TRP a CG +25391 C CD1 A TRP S 142 ? 0.8607 0.6923 0.6185 0.0293 0.0061 0.0065 142 TRP a CD1 +25392 C CD1 B TRP S 142 ? 0.8601 0.6915 0.6178 0.0294 0.0060 0.0064 142 TRP a CD1 +25393 C CD2 A TRP S 142 ? 0.8724 0.6971 0.6212 0.0286 0.0016 0.0056 142 TRP a CD2 +25394 C CD2 B TRP S 142 ? 0.8725 0.6971 0.6211 0.0287 0.0016 0.0056 142 TRP a CD2 +25395 N NE1 A TRP S 142 ? 0.8633 0.6903 0.6133 0.0315 0.0076 0.0059 142 TRP a NE1 +25396 N NE1 B TRP S 142 ? 0.8641 0.6909 0.6139 0.0315 0.0075 0.0058 142 TRP a NE1 +25397 C CE2 A TRP S 142 ? 0.9974 0.8200 0.7415 0.0311 0.0049 0.0053 142 TRP a CE2 +25398 C CE2 B TRP S 142 ? 1.0023 0.8247 0.7462 0.0311 0.0048 0.0053 142 TRP a CE2 +25399 C CE3 A TRP S 142 ? 0.9088 0.7302 0.6533 0.0279 -0.0017 0.0051 142 TRP a CE3 +25400 C CE3 B TRP S 142 ? 0.9099 0.7312 0.6542 0.0279 -0.0017 0.0051 142 TRP a CE3 +25401 C CZ2 A TRP S 142 ? 0.9025 0.7192 0.6375 0.0328 0.0049 0.0046 142 TRP a CZ2 +25402 C CZ2 B TRP S 142 ? 0.9016 0.7182 0.6364 0.0328 0.0049 0.0045 142 TRP a CZ2 +25403 C CZ3 A TRP S 142 ? 0.8975 0.7132 0.6330 0.0296 -0.0018 0.0043 142 TRP a CZ3 +25404 C CZ3 B TRP S 142 ? 0.8970 0.7125 0.6322 0.0296 -0.0018 0.0043 142 TRP a CZ3 +25405 C CH2 A TRP S 142 ? 0.9214 0.7346 0.6520 0.0320 0.0015 0.0040 142 TRP a CH2 +25406 C CH2 B TRP S 142 ? 0.9224 0.7356 0.6529 0.0320 0.0015 0.0040 142 TRP a CH2 +25407 N N A ILE S 143 ? 0.8223 0.6700 0.6049 0.0202 0.0003 0.0105 143 ILE a N +25408 N N B ILE S 143 ? 0.8242 0.6718 0.6067 0.0203 0.0003 0.0105 143 ILE a N +25409 C CA A ILE S 143 ? 0.7691 0.6206 0.5589 0.0181 -0.0016 0.0107 143 ILE a CA +25410 C CA B ILE S 143 ? 0.7683 0.6198 0.5581 0.0182 -0.0016 0.0107 143 ILE a CA +25411 C C A ILE S 143 ? 0.8166 0.6716 0.6118 0.0184 0.0000 0.0107 143 ILE a C +25412 C C B ILE S 143 ? 0.8185 0.6734 0.6137 0.0184 0.0000 0.0107 143 ILE a C +25413 O O A ILE S 143 ? 0.7632 0.6194 0.5623 0.0173 -0.0019 0.0100 143 ILE a O +25414 O O B ILE S 143 ? 0.7643 0.6203 0.5634 0.0173 -0.0019 0.0100 143 ILE a O +25415 C CB A ILE S 143 ? 0.8112 0.6657 0.6042 0.0167 -0.0015 0.0124 143 ILE a CB +25416 C CB B ILE S 143 ? 0.8129 0.6674 0.6059 0.0167 -0.0014 0.0124 143 ILE a CB +25417 C CG1 A ILE S 143 ? 0.7319 0.5830 0.5204 0.0161 -0.0045 0.0121 143 ILE a CG1 +25418 C CG1 B ILE S 143 ? 0.7311 0.5825 0.5200 0.0161 -0.0044 0.0121 143 ILE a CG1 +25419 C CG2 A ILE S 143 ? 0.7329 0.5922 0.5339 0.0148 -0.0023 0.0128 143 ILE a CG2 +25420 C CG2 B ILE S 143 ? 0.7331 0.5927 0.5344 0.0149 -0.0020 0.0129 143 ILE a CG2 +25421 C CD1 A ILE S 143 ? 0.7193 0.5722 0.5093 0.0151 -0.0043 0.0137 143 ILE a CD1 +25422 C CD1 B ILE S 143 ? 0.7183 0.5716 0.5088 0.0151 -0.0041 0.0138 143 ILE a CD1 +25423 N N A CYS S 144 ? 0.7294 0.5859 0.5246 0.0199 0.0036 0.0113 144 CYS a N +25424 N N B CYS S 144 ? 0.7277 0.5843 0.5231 0.0199 0.0036 0.0113 144 CYS a N +25425 C CA A CYS S 144 ? 0.7162 0.5761 0.5165 0.0205 0.0052 0.0112 144 CYS a CA +25426 C CA B CYS S 144 ? 0.7147 0.5748 0.5152 0.0204 0.0052 0.0112 144 CYS a CA +25427 C C A CYS S 144 ? 0.8433 0.7001 0.6415 0.0215 0.0038 0.0096 144 CYS a C +25428 C C B CYS S 144 ? 0.8462 0.7031 0.6446 0.0215 0.0038 0.0095 144 CYS a C +25429 O O A CYS S 144 ? 0.8392 0.6983 0.6420 0.0214 0.0037 0.0093 144 CYS a O +25430 O O B CYS S 144 ? 0.8426 0.7017 0.6455 0.0214 0.0036 0.0093 144 CYS a O +25431 C CB A CYS S 144 ? 0.7583 0.6205 0.5587 0.0220 0.0093 0.0120 144 CYS a CB +25432 C CB B CYS S 144 ? 0.7582 0.6206 0.5589 0.0220 0.0093 0.0120 144 CYS a CB +25433 S SG A CYS S 144 ? 0.7993 0.6564 0.5911 0.0249 0.0113 0.0110 144 CYS a SG +25434 S SG B CYS S 144 ? 0.7993 0.6564 0.5911 0.0249 0.0113 0.0111 144 CYS a SG +25435 N N A VAL S 145 ? 0.7869 0.6382 0.5781 0.0225 0.0027 0.0084 145 VAL a N +25436 N N B VAL S 145 ? 0.7875 0.6388 0.5787 0.0226 0.0028 0.0084 145 VAL a N +25437 C CA A VAL S 145 ? 0.7426 0.5902 0.5312 0.0233 0.0012 0.0067 145 VAL a CA +25438 C CA B VAL S 145 ? 0.7415 0.5891 0.5301 0.0234 0.0013 0.0067 145 VAL a CA +25439 C C A VAL S 145 ? 0.7333 0.5811 0.5253 0.0212 -0.0022 0.0061 145 VAL a C +25440 C C B VAL S 145 ? 0.7323 0.5801 0.5243 0.0212 -0.0021 0.0061 145 VAL a C +25441 O O A VAL S 145 ? 0.7584 0.6053 0.5517 0.0213 -0.0029 0.0053 145 VAL a O +25442 O O B VAL S 145 ? 0.7601 0.6071 0.5535 0.0213 -0.0028 0.0053 145 VAL a O +25443 C CB A VAL S 145 ? 0.8760 0.7175 0.6560 0.0248 0.0008 0.0056 145 VAL a CB +25444 C CB B VAL S 145 ? 0.8785 0.7199 0.6584 0.0248 0.0008 0.0055 145 VAL a CB +25445 C CG1 A VAL S 145 ? 0.7677 0.6048 0.5446 0.0254 -0.0010 0.0037 145 VAL a CG1 +25446 C CG1 B VAL S 145 ? 0.7660 0.6030 0.5429 0.0255 -0.0009 0.0037 145 VAL a CG1 +25447 C CG2 A VAL S 145 ? 0.8266 0.6679 0.6032 0.0271 0.0045 0.0061 145 VAL a CG2 +25448 C CG2 B VAL S 145 ? 0.8263 0.6674 0.6026 0.0271 0.0044 0.0061 145 VAL a CG2 +25449 N N A ALA S 146 ? 0.7380 0.5864 0.5310 0.0192 -0.0043 0.0065 146 ALA a N +25450 N N B ALA S 146 ? 0.7362 0.5848 0.5294 0.0192 -0.0041 0.0066 146 ALA a N +25451 C CA A ALA S 146 ? 0.7597 0.6089 0.5566 0.0170 -0.0073 0.0061 146 ALA a CA +25452 C CA B ALA S 146 ? 0.7606 0.6099 0.5575 0.0170 -0.0072 0.0061 146 ALA a CA +25453 C C A ALA S 146 ? 0.7604 0.6147 0.5648 0.0161 -0.0064 0.0070 146 ALA a C +25454 C C B ALA S 146 ? 0.7612 0.6155 0.5656 0.0161 -0.0063 0.0070 146 ALA a C +25455 O O A ALA S 146 ? 0.7248 0.5792 0.5319 0.0151 -0.0079 0.0063 146 ALA a O +25456 O O B ALA S 146 ? 0.7248 0.5790 0.5317 0.0152 -0.0078 0.0063 146 ALA a O +25457 C CB A ALA S 146 ? 0.7288 0.5780 0.5252 0.0153 -0.0097 0.0063 146 ALA a CB +25458 C CB B ALA S 146 ? 0.7281 0.5775 0.5246 0.0154 -0.0095 0.0064 146 ALA a CB +25459 N N A TYR S 147 ? 0.7503 0.6088 0.5580 0.0164 -0.0039 0.0085 147 TYR a N +25460 N N B TYR S 147 ? 0.7505 0.6091 0.5584 0.0163 -0.0039 0.0085 147 TYR a N +25461 C CA A TYR S 147 ? 0.7156 0.5791 0.5303 0.0157 -0.0030 0.0093 147 TYR a CA +25462 C CA B TYR S 147 ? 0.7145 0.5780 0.5293 0.0157 -0.0030 0.0093 147 TYR a CA +25463 C C A TYR S 147 ? 0.8227 0.6859 0.6379 0.0174 -0.0017 0.0087 147 TYR a C +25464 C C B TYR S 147 ? 0.8254 0.6887 0.6407 0.0174 -0.0017 0.0087 147 TYR a C +25465 O O A TYR S 147 ? 0.7539 0.6200 0.5742 0.0168 -0.0019 0.0089 147 TYR a O +25466 O O B TYR S 147 ? 0.7552 0.6213 0.5755 0.0169 -0.0019 0.0089 147 TYR a O +25467 C CB A TYR S 147 ? 0.7458 0.6136 0.5637 0.0156 -0.0007 0.0109 147 TYR a CB +25468 C CB B TYR S 147 ? 0.7463 0.6142 0.5643 0.0155 -0.0007 0.0109 147 TYR a CB +25469 C CG A TYR S 147 ? 0.8091 0.6824 0.6343 0.0149 0.0003 0.0118 147 TYR a CG +25470 C CG B TYR S 147 ? 0.8120 0.6852 0.6372 0.0149 0.0003 0.0118 147 TYR a CG +25471 C CD1 A TYR S 147 ? 0.7329 0.6083 0.5628 0.0128 -0.0017 0.0120 147 TYR a CD1 +25472 C CD1 B TYR S 147 ? 0.7335 0.6089 0.5635 0.0128 -0.0017 0.0120 147 TYR a CD1 +25473 C CD2 A TYR S 147 ? 0.7302 0.6065 0.5575 0.0164 0.0033 0.0123 147 TYR a CD2 +25474 C CD2 B TYR S 147 ? 0.7312 0.6075 0.5584 0.0163 0.0034 0.0123 147 TYR a CD2 +25475 C CE1 A TYR S 147 ? 0.7296 0.6098 0.5659 0.0123 -0.0008 0.0128 147 TYR a CE1 +25476 C CE1 B TYR S 147 ? 0.7294 0.6095 0.5657 0.0123 -0.0008 0.0127 147 TYR a CE1 +25477 C CE2 A TYR S 147 ? 0.6567 0.5380 0.4905 0.0158 0.0041 0.0130 147 TYR a CE2 +25478 C CE2 B TYR S 147 ? 0.6561 0.5375 0.4900 0.0158 0.0041 0.0130 147 TYR a CE2 +25479 C CZ A TYR S 147 ? 0.7141 0.5972 0.5523 0.0138 0.0020 0.0132 147 TYR a CZ +25480 C CZ B TYR S 147 ? 0.7147 0.5979 0.5529 0.0138 0.0020 0.0132 147 TYR a CZ +25481 O OH A TYR S 147 ? 0.7226 0.6106 0.5671 0.0133 0.0027 0.0139 147 TYR a OH +25482 O OH B TYR S 147 ? 0.7238 0.6118 0.5682 0.0133 0.0027 0.0139 147 TYR a OH +25483 N N . SER S 148 ? 0.6774 0.5371 0.4872 0.0196 -0.0005 0.0079 148 SER a N +25484 C CA . SER S 148 ? 0.8085 0.6676 0.6183 0.0215 0.0007 0.0072 148 SER a CA +25485 C C . SER S 148 ? 0.7643 0.6210 0.5747 0.0207 -0.0018 0.0062 148 SER a C +25486 O O . SER S 148 ? 0.7427 0.5999 0.5549 0.0218 -0.0011 0.0059 148 SER a O +25487 C CB . SER S 148 ? 0.7496 0.6045 0.5527 0.0241 0.0022 0.0063 148 SER a CB +25488 O OG . SER S 148 ? 0.8153 0.6643 0.6129 0.0239 -0.0001 0.0049 148 SER a OG +25489 N N A ALA S 149 ? 0.6779 0.5321 0.4870 0.0186 -0.0047 0.0056 149 ALA a N +25490 N N B ALA S 149 ? 0.6765 0.5306 0.4855 0.0186 -0.0047 0.0055 149 ALA a N +25491 C CA A ALA S 149 ? 0.7134 0.5654 0.5232 0.0175 -0.0068 0.0046 149 ALA a CA +25492 C CA B ALA S 149 ? 0.7126 0.5645 0.5223 0.0175 -0.0068 0.0046 149 ALA a CA +25493 C C A ALA S 149 ? 0.7689 0.6255 0.5857 0.0162 -0.0070 0.0055 149 ALA a C +25494 C C B ALA S 149 ? 0.7707 0.6271 0.5874 0.0162 -0.0070 0.0055 149 ALA a C +25495 O O A ALA S 149 ? 0.7291 0.5849 0.5469 0.0168 -0.0069 0.0051 149 ALA a O +25496 O O B ALA S 149 ? 0.7285 0.5843 0.5463 0.0169 -0.0068 0.0051 149 ALA a O +25497 C CB A ALA S 149 ? 0.6732 0.5216 0.4800 0.0156 -0.0098 0.0036 149 ALA a CB +25498 C CB B ALA S 149 ? 0.6726 0.5209 0.4792 0.0157 -0.0097 0.0036 149 ALA a CB +25499 N N A PRO S 150 ? 0.7364 0.5973 0.5578 0.0144 -0.0073 0.0066 150 PRO a N +25500 N N B PRO S 150 ? 0.7372 0.5981 0.5586 0.0144 -0.0073 0.0066 150 PRO a N +25501 C CA A PRO S 150 ? 0.7123 0.5775 0.5401 0.0134 -0.0072 0.0075 150 PRO a CA +25502 C CA B PRO S 150 ? 0.7124 0.5775 0.5402 0.0134 -0.0072 0.0075 150 PRO a CA +25503 C C A PRO S 150 ? 0.7377 0.6061 0.5680 0.0155 -0.0046 0.0082 150 PRO a C +25504 C C B PRO S 150 ? 0.7391 0.6075 0.5694 0.0154 -0.0046 0.0082 150 PRO a C +25505 O O A PRO S 150 ? 0.7310 0.6009 0.5645 0.0157 -0.0046 0.0082 150 PRO a O +25506 O O B PRO S 150 ? 0.7323 0.6023 0.5660 0.0156 -0.0046 0.0083 150 PRO a O +25507 C CB A PRO S 150 ? 0.7165 0.5853 0.5479 0.0113 -0.0079 0.0085 150 PRO a CB +25508 C CB B PRO S 150 ? 0.7171 0.5858 0.5484 0.0113 -0.0080 0.0084 150 PRO a CB +25509 C CG A PRO S 150 ? 0.7136 0.5807 0.5407 0.0117 -0.0077 0.0085 150 PRO a CG +25510 C CG B PRO S 150 ? 0.7136 0.5807 0.5407 0.0118 -0.0077 0.0085 150 PRO a CG +25511 C CD A PRO S 150 ? 0.6744 0.5358 0.4951 0.0130 -0.0083 0.0070 150 PRO a CD +25512 C CD B PRO S 150 ? 0.6729 0.5344 0.4936 0.0130 -0.0082 0.0071 150 PRO a CD +25513 N N . LEU S 151 ? 0.7104 0.5799 0.5392 0.0171 -0.0024 0.0086 151 LEU a N +25514 C CA . LEU S 151 ? 0.7394 0.6125 0.5709 0.0190 0.0002 0.0091 151 LEU a CA +25515 C C . LEU S 151 ? 0.7823 0.6525 0.6116 0.0212 0.0005 0.0081 151 LEU a C +25516 O O . LEU S 151 ? 0.7560 0.6291 0.5892 0.0221 0.0012 0.0084 151 LEU a O +25517 C CB . LEU S 151 ? 0.7464 0.6208 0.5762 0.0202 0.0027 0.0097 151 LEU a CB +25518 C CG . LEU S 151 ? 0.7146 0.5930 0.5473 0.0223 0.0055 0.0101 151 LEU a CG +25519 C CD1 . LEU S 151 ? 0.6663 0.5505 0.5064 0.0210 0.0056 0.0111 151 LEU a CD1 +25520 C CD2 . LEU S 151 ? 0.6755 0.5547 0.5059 0.0235 0.0083 0.0105 151 LEU a CD2 +25521 N N A ALA S 152 ? 0.7095 0.5740 0.5326 0.0221 -0.0002 0.0069 152 ALA a N +25522 N N B ALA S 152 ? 0.7086 0.5731 0.5317 0.0221 -0.0002 0.0069 152 ALA a N +25523 C CA A ALA S 152 ? 0.7959 0.6570 0.6164 0.0242 -0.0001 0.0059 152 ALA a CA +25524 C CA B ALA S 152 ? 0.7967 0.6578 0.6173 0.0242 -0.0001 0.0059 152 ALA a CA +25525 C C A ALA S 152 ? 0.7625 0.6230 0.5857 0.0230 -0.0019 0.0058 152 ALA a C +25526 C C B ALA S 152 ? 0.7633 0.6239 0.5867 0.0229 -0.0020 0.0058 152 ALA a C +25527 O O A ALA S 152 ? 0.7331 0.5930 0.5566 0.0247 -0.0015 0.0055 152 ALA a O +25528 O O B ALA S 152 ? 0.7337 0.5940 0.5577 0.0246 -0.0015 0.0055 152 ALA a O +25529 C CB A ALA S 152 ? 0.7192 0.5737 0.5322 0.0252 -0.0006 0.0046 152 ALA a CB +25530 C CB B ALA S 152 ? 0.7183 0.5728 0.5315 0.0252 -0.0007 0.0046 152 ALA a CB +25531 N N A SER S 153 ? 0.7334 0.5942 0.5585 0.0201 -0.0040 0.0060 153 SER a N +25532 N N B SER S 153 ? 0.7338 0.5943 0.5587 0.0200 -0.0041 0.0059 153 SER a N +25533 C CA A SER S 153 ? 0.7555 0.6159 0.5832 0.0186 -0.0057 0.0059 153 SER a CA +25534 C CA B SER S 153 ? 0.7570 0.6173 0.5847 0.0185 -0.0058 0.0059 153 SER a CA +25535 C C A SER S 153 ? 0.7444 0.6104 0.5782 0.0188 -0.0047 0.0070 153 SER a C +25536 C C B SER S 153 ? 0.7457 0.6117 0.5796 0.0188 -0.0047 0.0070 153 SER a C +25537 O O A SER S 153 ? 0.7606 0.6259 0.5955 0.0194 -0.0050 0.0069 153 SER a O +25538 O O B SER S 153 ? 0.7635 0.6290 0.5986 0.0193 -0.0051 0.0069 153 SER a O +25539 C CB A SER S 153 ? 0.7442 0.6039 0.5725 0.0154 -0.0080 0.0058 153 SER a CB +25540 C CB B SER S 153 ? 0.7444 0.6042 0.5728 0.0153 -0.0080 0.0058 153 SER a CB +25541 O OG A SER S 153 ? 0.7226 0.5771 0.5452 0.0151 -0.0091 0.0046 153 SER a OG +25542 O OG B SER S 153 ? 0.7229 0.5774 0.5457 0.0149 -0.0092 0.0046 153 SER a OG +25543 N N A ALA S 154 ? 0.7282 0.5996 0.5660 0.0184 -0.0035 0.0081 154 ALA a N +25544 N N B ALA S 154 ? 0.7301 0.6013 0.5676 0.0185 -0.0035 0.0081 154 ALA a N +25545 C CA A ALA S 154 ? 0.7039 0.5809 0.5475 0.0188 -0.0025 0.0090 154 ALA a CA +25546 C CA B ALA S 154 ? 0.7046 0.5814 0.5480 0.0188 -0.0025 0.0090 154 ALA a CA +25547 C C A ALA S 154 ? 0.6704 0.5476 0.5135 0.0220 -0.0009 0.0087 154 ALA a C +25548 C C B ALA S 154 ? 0.6689 0.5460 0.5119 0.0220 -0.0008 0.0087 154 ALA a C +25549 O O A ALA S 154 ? 0.7415 0.6204 0.5876 0.0226 -0.0010 0.0089 154 ALA a O +25550 O O B ALA S 154 ? 0.7455 0.6245 0.5916 0.0226 -0.0010 0.0089 154 ALA a O +25551 C CB A ALA S 154 ? 0.6162 0.4983 0.4634 0.0178 -0.0013 0.0102 154 ALA a CB +25552 C CB B ALA S 154 ? 0.6146 0.4966 0.4616 0.0178 -0.0013 0.0101 154 ALA a CB +25553 N N A PHE S 155 ? 0.7061 0.5817 0.5454 0.0241 0.0007 0.0082 155 PHE a N +25554 N N B PHE S 155 ? 0.7073 0.5827 0.5464 0.0241 0.0007 0.0082 155 PHE a N +25555 C CA A PHE S 155 ? 0.6770 0.5527 0.5155 0.0274 0.0023 0.0078 155 PHE a CA +25556 C CA B PHE S 155 ? 0.6759 0.5514 0.5142 0.0274 0.0023 0.0078 155 PHE a CA +25557 C C A PHE S 155 ? 0.7467 0.6176 0.5826 0.0284 0.0009 0.0069 155 PHE a C +25558 C C B PHE S 155 ? 0.7481 0.6188 0.5837 0.0284 0.0010 0.0069 155 PHE a C +25559 O O A PHE S 155 ? 0.7359 0.6079 0.5732 0.0306 0.0016 0.0068 155 PHE a O +25560 O O B PHE S 155 ? 0.7380 0.6099 0.5750 0.0307 0.0017 0.0068 155 PHE a O +25561 C CB A PHE S 155 ? 0.7472 0.6209 0.5810 0.0294 0.0042 0.0072 155 PHE a CB +25562 C CB B PHE S 155 ? 0.7471 0.6208 0.5808 0.0294 0.0042 0.0072 155 PHE a CB +25563 C CG A PHE S 155 ? 0.7714 0.6508 0.6085 0.0300 0.0067 0.0080 155 PHE a CG +25564 C CG B PHE S 155 ? 0.7723 0.6516 0.6093 0.0299 0.0067 0.0081 155 PHE a CG +25565 C CD1 A PHE S 155 ? 0.7329 0.6163 0.5728 0.0326 0.0087 0.0081 155 PHE a CD1 +25566 C CD1 B PHE S 155 ? 0.7329 0.6163 0.5728 0.0325 0.0087 0.0081 155 PHE a CD1 +25567 C CD2 A PHE S 155 ? 0.7278 0.6087 0.5651 0.0280 0.0071 0.0087 155 PHE a CD2 +25568 C CD2 B PHE S 155 ? 0.7257 0.6064 0.5629 0.0279 0.0070 0.0088 155 PHE a CD2 +25569 C CE1 A PHE S 155 ? 0.8168 0.7057 0.6600 0.0329 0.0113 0.0088 155 PHE a CE1 +25570 C CE1 B PHE S 155 ? 0.8169 0.7057 0.6601 0.0327 0.0112 0.0088 155 PHE a CE1 +25571 C CE2 A PHE S 155 ? 0.7992 0.6850 0.6393 0.0284 0.0096 0.0095 155 PHE a CE2 +25572 C CE2 B PHE S 155 ? 0.8002 0.6859 0.6402 0.0283 0.0095 0.0095 155 PHE a CE2 +25573 C CZ A PHE S 155 ? 0.7436 0.6336 0.5868 0.0307 0.0118 0.0095 155 PHE a CZ +25574 C CZ B PHE S 155 ? 0.7429 0.6327 0.5860 0.0306 0.0117 0.0095 155 PHE a CZ +25575 N N A ALA S 156 ? 0.7062 0.5715 0.5380 0.0267 -0.0010 0.0063 156 ALA a N +25576 N N B ALA S 156 ? 0.7059 0.5711 0.5377 0.0267 -0.0010 0.0063 156 ALA a N +25577 C CA A ALA S 156 ? 0.6844 0.5442 0.5128 0.0275 -0.0021 0.0054 156 ALA a CA +25578 C CA B ALA S 156 ? 0.6834 0.5432 0.5117 0.0276 -0.0021 0.0054 156 ALA a CA +25579 C C A ALA S 156 ? 0.7433 0.6053 0.5761 0.0269 -0.0030 0.0060 156 ALA a C +25580 C C B ALA S 156 ? 0.7458 0.6076 0.5785 0.0268 -0.0031 0.0060 156 ALA a C +25581 O O A ALA S 156 ? 0.7144 0.5750 0.5466 0.0291 -0.0028 0.0057 156 ALA a O +25582 O O B ALA S 156 ? 0.7145 0.5747 0.5464 0.0290 -0.0029 0.0057 156 ALA a O +25583 C CB A ALA S 156 ? 0.6594 0.5133 0.4831 0.0255 -0.0040 0.0045 156 ALA a CB +25584 C CB B ALA S 156 ? 0.6573 0.5109 0.4806 0.0257 -0.0039 0.0044 156 ALA a CB +25585 N N A VAL S 157 ? 0.6811 0.5465 0.5183 0.0240 -0.0040 0.0068 157 VAL a N +25586 N N B VAL S 157 ? 0.6804 0.5456 0.5174 0.0240 -0.0040 0.0068 157 VAL a N +25587 C CA A VAL S 157 ? 0.6974 0.5642 0.5380 0.0231 -0.0050 0.0073 157 VAL a CA +25588 C CA B VAL S 157 ? 0.6978 0.5643 0.5383 0.0230 -0.0051 0.0073 157 VAL a CA +25589 C C A VAL S 157 ? 0.6915 0.5646 0.5375 0.0246 -0.0038 0.0082 157 VAL a C +25590 C C B VAL S 157 ? 0.6919 0.5649 0.5379 0.0245 -0.0039 0.0082 157 VAL a C +25591 O O A VAL S 157 ? 0.7388 0.6124 0.5867 0.0251 -0.0044 0.0084 157 VAL a O +25592 O O B VAL S 157 ? 0.7411 0.6147 0.5891 0.0248 -0.0046 0.0084 157 VAL a O +25593 C CB A VAL S 157 ? 0.6943 0.5616 0.5371 0.0194 -0.0067 0.0077 157 VAL a CB +25594 C CB B VAL S 157 ? 0.6963 0.5633 0.5389 0.0193 -0.0068 0.0077 157 VAL a CB +25595 C CG1 A VAL S 157 ? 0.6446 0.5054 0.4823 0.0178 -0.0082 0.0067 157 VAL a CG1 +25596 C CG1 B VAL S 157 ? 0.6388 0.4995 0.4762 0.0178 -0.0082 0.0066 157 VAL a CG1 +25597 C CG2 A VAL S 157 ? 0.6633 0.5359 0.5098 0.0179 -0.0062 0.0085 157 VAL a CG2 +25598 C CG2 B VAL S 157 ? 0.6626 0.5354 0.5094 0.0178 -0.0062 0.0086 157 VAL a CG2 +25599 N N A PHE S 158 ? 0.6731 0.5509 0.5214 0.0254 -0.0021 0.0086 158 PHE a N +25600 N N B PHE S 158 ? 0.6740 0.5517 0.5222 0.0253 -0.0022 0.0086 158 PHE a N +25601 C CA A PHE S 158 ? 0.6785 0.5629 0.5324 0.0265 -0.0010 0.0093 158 PHE a CA +25602 C CA B PHE S 158 ? 0.6777 0.5619 0.5315 0.0264 -0.0011 0.0093 158 PHE a CA +25603 C C A PHE S 158 ? 0.6950 0.5804 0.5482 0.0302 0.0008 0.0088 158 PHE a C +25604 C C B PHE S 158 ? 0.6956 0.5808 0.5487 0.0301 0.0007 0.0088 158 PHE a C +25605 O O A PHE S 158 ? 0.7255 0.6158 0.5832 0.0316 0.0014 0.0092 158 PHE a O +25606 O O B PHE S 158 ? 0.7281 0.6181 0.5856 0.0315 0.0012 0.0092 158 PHE a O +25607 C CB A PHE S 158 ? 0.6890 0.5787 0.5468 0.0246 -0.0001 0.0101 158 PHE a CB +25608 C CB B PHE S 158 ? 0.6895 0.5791 0.5473 0.0246 -0.0001 0.0101 158 PHE a CB +25609 C CG A PHE S 158 ? 0.6855 0.5758 0.5455 0.0212 -0.0017 0.0107 158 PHE a CG +25610 C CG B PHE S 158 ? 0.6862 0.5764 0.5462 0.0211 -0.0017 0.0107 158 PHE a CG +25611 C CD1 A PHE S 158 ? 0.6588 0.5487 0.5207 0.0201 -0.0033 0.0109 158 PHE a CD1 +25612 C CD1 B PHE S 158 ? 0.6582 0.5482 0.5202 0.0201 -0.0033 0.0109 158 PHE a CD1 +25613 C CD2 A PHE S 158 ? 0.6639 0.5549 0.5238 0.0192 -0.0015 0.0111 158 PHE a CD2 +25614 C CD2 B PHE S 158 ? 0.6638 0.5548 0.5238 0.0191 -0.0016 0.0111 158 PHE a CD2 +25615 C CE1 A PHE S 158 ? 0.6989 0.5894 0.5628 0.0171 -0.0046 0.0114 158 PHE a CE1 +25616 C CE1 B PHE S 158 ? 0.7003 0.5910 0.5644 0.0170 -0.0047 0.0114 158 PHE a CE1 +25617 C CE2 A PHE S 158 ? 0.6826 0.5743 0.5447 0.0162 -0.0030 0.0116 158 PHE a CE2 +25618 C CE2 B PHE S 158 ? 0.6831 0.5747 0.5451 0.0161 -0.0031 0.0116 158 PHE a CE2 +25619 C CZ A PHE S 158 ? 0.6844 0.5760 0.5486 0.0151 -0.0045 0.0117 158 PHE a CZ +25620 C CZ B PHE S 158 ? 0.6840 0.5756 0.5483 0.0151 -0.0046 0.0117 158 PHE a CZ +25621 N N A LEU S 159 ? 0.6574 0.5388 0.5054 0.0320 0.0016 0.0080 159 LEU a N +25622 N N B LEU S 159 ? 0.6571 0.5381 0.5050 0.0319 0.0015 0.0080 159 LEU a N +25623 C CA A LEU S 159 ? 0.7039 0.5865 0.5512 0.0357 0.0035 0.0075 159 LEU a CA +25624 C CA B LEU S 159 ? 0.7030 0.5856 0.5505 0.0355 0.0034 0.0075 159 LEU a CA +25625 C C A LEU S 159 ? 0.7123 0.5879 0.5532 0.0381 0.0032 0.0064 159 LEU a C +25626 C C B LEU S 159 ? 0.7119 0.5876 0.5530 0.0380 0.0032 0.0064 159 LEU a C +25627 O O A LEU S 159 ? 0.7330 0.6086 0.5740 0.0411 0.0035 0.0060 159 LEU a O +25628 O O B LEU S 159 ? 0.7341 0.6098 0.5753 0.0409 0.0034 0.0061 159 LEU a O +25629 C CB A LEU S 159 ? 0.6593 0.5450 0.5069 0.0359 0.0058 0.0077 159 LEU a CB +25630 C CB B LEU S 159 ? 0.6561 0.5419 0.5040 0.0357 0.0056 0.0077 159 LEU a CB +25631 C CG A LEU S 159 ? 0.8237 0.7122 0.6719 0.0395 0.0082 0.0072 159 LEU a CG +25632 C CG B LEU S 159 ? 0.8255 0.7139 0.6737 0.0393 0.0080 0.0073 159 LEU a CG +25633 C CD1 A LEU S 159 ? 0.8044 0.6996 0.6592 0.0406 0.0085 0.0076 159 LEU a CD1 +25634 C CD1 B LEU S 159 ? 0.8050 0.7003 0.6599 0.0404 0.0085 0.0077 159 LEU a CD1 +25635 C CD2 A LEU S 159 ? 0.8433 0.7338 0.6907 0.0395 0.0104 0.0074 159 LEU a CD2 +25636 C CD2 B LEU S 159 ? 0.8441 0.7340 0.6911 0.0394 0.0103 0.0073 159 LEU a CD2 +25637 N N A ILE S 160 ? 0.7614 0.6311 0.5968 0.0371 0.0025 0.0058 160 ILE a N +25638 N N B ILE S 160 ? 0.7618 0.6316 0.5973 0.0370 0.0026 0.0058 160 ILE a N +25639 C CA A ILE S 160 ? 0.7864 0.6494 0.6154 0.0395 0.0025 0.0046 160 ILE a CA +25640 C CA B ILE S 160 ? 0.7875 0.6506 0.6166 0.0394 0.0025 0.0047 160 ILE a CA +25641 C C A ILE S 160 ? 0.8052 0.6639 0.6328 0.0397 0.0008 0.0044 160 ILE a C +25642 C C B ILE S 160 ? 0.8075 0.6663 0.6352 0.0396 0.0008 0.0044 160 ILE a C +25643 O O A ILE S 160 ? 0.7560 0.6119 0.5810 0.0428 0.0011 0.0038 160 ILE a O +25644 O O B ILE S 160 ? 0.7578 0.6139 0.5830 0.0428 0.0011 0.0038 160 ILE a O +25645 C CB A ILE S 160 ? 0.7477 0.6053 0.5710 0.0382 0.0022 0.0039 160 ILE a CB +25646 C CB B ILE S 160 ? 0.7474 0.6051 0.5707 0.0381 0.0021 0.0040 160 ILE a CB +25647 C CG1 A ILE S 160 ? 0.7628 0.6242 0.5869 0.0380 0.0040 0.0043 160 ILE a CG1 +25648 C CG1 B ILE S 160 ? 0.7627 0.6241 0.5868 0.0378 0.0039 0.0043 160 ILE a CG1 +25649 C CG2 A ILE S 160 ? 0.7981 0.6484 0.6145 0.0407 0.0022 0.0026 160 ILE a CG2 +25650 C CG2 B ILE S 160 ? 0.7991 0.6495 0.6156 0.0405 0.0021 0.0027 160 ILE a CG2 +25651 C CD1 A ILE S 160 ? 0.7548 0.6207 0.5808 0.0412 0.0066 0.0043 160 ILE a CD1 +25652 C CD1 B ILE S 160 ? 0.7554 0.6211 0.5813 0.0411 0.0066 0.0043 160 ILE a CD1 +25653 N N A TYR S 161 ? 0.7163 0.5741 0.5452 0.0364 -0.0011 0.0048 161 TYR a N +25654 N N B TYR S 161 ? 0.7159 0.5737 0.5448 0.0363 -0.0011 0.0048 161 TYR a N +25655 C CA A TYR S 161 ? 0.7272 0.5808 0.5546 0.0365 -0.0026 0.0047 161 TYR a CA +25656 C CA B TYR S 161 ? 0.7278 0.5814 0.5553 0.0363 -0.0026 0.0047 161 TYR a CA +25657 C C A TYR S 161 ? 0.7258 0.5834 0.5570 0.0390 -0.0022 0.0052 161 TYR a C +25658 C C B TYR S 161 ? 0.7270 0.5844 0.5581 0.0389 -0.0022 0.0052 161 TYR a C +25659 O O A TYR S 161 ? 0.7248 0.5783 0.5528 0.0416 -0.0024 0.0047 161 TYR a O +25660 O O B TYR S 161 ? 0.7254 0.5785 0.5531 0.0414 -0.0024 0.0046 161 TYR a O +25661 C CB A TYR S 161 ? 0.6820 0.5343 0.5105 0.0324 -0.0045 0.0051 161 TYR a CB +25662 C CB B TYR S 161 ? 0.6799 0.5325 0.5086 0.0322 -0.0045 0.0051 161 TYR a CB +25663 C CG A TYR S 161 ? 0.7891 0.6356 0.6147 0.0322 -0.0059 0.0048 161 TYR a CG +25664 C CG B TYR S 161 ? 0.7910 0.6378 0.6169 0.0320 -0.0059 0.0048 161 TYR a CG +25665 C CD1 A TYR S 161 ? 0.7085 0.5472 0.5275 0.0328 -0.0063 0.0037 161 TYR a CD1 +25666 C CD1 B TYR S 161 ? 0.7058 0.5448 0.5251 0.0327 -0.0063 0.0037 161 TYR a CD1 +25667 C CD2 A TYR S 161 ? 0.7224 0.5712 0.5518 0.0314 -0.0067 0.0056 161 TYR a CD2 +25668 C CD2 B TYR S 161 ? 0.7204 0.5694 0.5499 0.0310 -0.0067 0.0056 161 TYR a CD2 +25669 C CE1 A TYR S 161 ? 0.7535 0.5864 0.5695 0.0325 -0.0075 0.0035 161 TYR a CE1 +25670 C CE1 B TYR S 161 ? 0.7539 0.5872 0.5702 0.0324 -0.0074 0.0035 161 TYR a CE1 +25671 C CE2 A TYR S 161 ? 0.7116 0.5546 0.5378 0.0313 -0.0078 0.0054 161 TYR a CE2 +25672 C CE2 B TYR S 161 ? 0.7087 0.5520 0.5352 0.0308 -0.0079 0.0054 161 TYR a CE2 +25673 C CZ A TYR S 161 ? 0.7824 0.6176 0.6021 0.0318 -0.0081 0.0044 161 TYR a CZ +25674 C CZ B TYR S 161 ? 0.7854 0.6207 0.6052 0.0315 -0.0082 0.0044 161 TYR a CZ +25675 O OH A TYR S 161 ? 0.7418 0.5708 0.5580 0.0315 -0.0091 0.0042 161 TYR a OH +25676 O OH B TYR S 161 ? 0.7435 0.5727 0.5599 0.0312 -0.0091 0.0042 161 TYR a OH +25677 N N A PRO S 162 ? 0.6626 0.5278 0.5003 0.0386 -0.0016 0.0061 162 PRO a N +25678 N N B PRO S 162 ? 0.6614 0.5265 0.4990 0.0385 -0.0016 0.0060 162 PRO a N +25679 C CA A PRO S 162 ? 0.6734 0.5428 0.5146 0.0414 -0.0011 0.0063 162 PRO a CA +25680 C CA B PRO S 162 ? 0.6715 0.5405 0.5125 0.0414 -0.0012 0.0063 162 PRO a CA +25681 C C A PRO S 162 ? 0.7114 0.5798 0.5500 0.0458 0.0004 0.0055 162 PRO a C +25682 C C B PRO S 162 ? 0.7110 0.5790 0.5494 0.0457 0.0002 0.0055 162 PRO a C +25683 O O A PRO S 162 ? 0.7248 0.5925 0.5632 0.0486 0.0000 0.0053 162 PRO a O +25684 O O B PRO S 162 ? 0.7253 0.5925 0.5633 0.0485 -0.0001 0.0053 162 PRO a O +25685 C CB A PRO S 162 ? 0.6467 0.5247 0.4950 0.0400 -0.0003 0.0072 162 PRO a CB +25686 C CB B PRO S 162 ? 0.6460 0.5236 0.4941 0.0400 -0.0005 0.0072 162 PRO a CB +25687 C CG A PRO S 162 ? 0.7154 0.5929 0.5642 0.0359 -0.0012 0.0077 162 PRO a CG +25688 C CG B PRO S 162 ? 0.7172 0.5943 0.5658 0.0359 -0.0014 0.0077 162 PRO a CG +25689 C CD A PRO S 162 ? 0.6824 0.5526 0.5247 0.0352 -0.0017 0.0069 162 PRO a CD +25690 C CD B PRO S 162 ? 0.6829 0.5532 0.5251 0.0353 -0.0016 0.0069 162 PRO a CD +25691 N N A ILE S 163 ? 0.7347 0.6031 0.5712 0.0466 0.0020 0.0050 163 ILE a N +25692 N N B ILE S 163 ? 0.7364 0.6047 0.5730 0.0465 0.0019 0.0050 163 ILE a N +25693 C CA A ILE S 163 ? 0.7223 0.5901 0.5566 0.0508 0.0036 0.0042 163 ILE a CA +25694 C CA B ILE S 163 ? 0.7217 0.5895 0.5560 0.0508 0.0035 0.0042 163 ILE a CA +25695 C C A ILE S 163 ? 0.7630 0.6223 0.5905 0.0528 0.0026 0.0033 163 ILE a C +25696 C C B ILE S 163 ? 0.7648 0.6239 0.5922 0.0527 0.0025 0.0033 163 ILE a C +25697 O O A ILE S 163 ? 0.7758 0.6345 0.6025 0.0565 0.0029 0.0029 163 ILE a O +25698 O O B ILE S 163 ? 0.7787 0.6371 0.6053 0.0564 0.0028 0.0029 163 ILE a O +25699 C CB A ILE S 163 ? 0.7879 0.6572 0.6210 0.0511 0.0056 0.0038 163 ILE a CB +25700 C CB B ILE S 163 ? 0.7890 0.6582 0.6222 0.0510 0.0055 0.0039 163 ILE a CB +25701 C CG1 A ILE S 163 ? 0.7604 0.6388 0.6005 0.0502 0.0071 0.0047 163 ILE a CG1 +25702 C CG1 B ILE S 163 ? 0.7589 0.6373 0.5992 0.0501 0.0070 0.0047 163 ILE a CG1 +25703 C CG2 A ILE S 163 ? 0.6831 0.5495 0.5119 0.0554 0.0071 0.0028 163 ILE a CG2 +25704 C CG2 B ILE S 163 ? 0.6824 0.5488 0.5112 0.0552 0.0070 0.0028 163 ILE a CG2 +25705 C CD1 A ILE S 163 ? 0.7744 0.6540 0.6131 0.0504 0.0093 0.0044 163 ILE a CD1 +25706 C CD1 B ILE S 163 ? 0.7751 0.6549 0.6141 0.0501 0.0092 0.0045 163 ILE a CD1 +25707 N N A GLY S 164 ? 0.7386 0.5911 0.5612 0.0503 0.0014 0.0030 164 GLY a N +25708 N N B GLY S 164 ? 0.7394 0.5918 0.5619 0.0503 0.0013 0.0030 164 GLY a N +25709 C CA A GLY S 164 ? 0.7272 0.5710 0.5429 0.0519 0.0005 0.0021 164 GLY a CA +25710 C CA B GLY S 164 ? 0.7259 0.5695 0.5416 0.0517 0.0004 0.0021 164 GLY a CA +25711 C C A GLY S 164 ? 0.7695 0.6114 0.5856 0.0525 -0.0009 0.0024 164 GLY a C +25712 C C B GLY S 164 ? 0.7704 0.6119 0.5864 0.0522 -0.0011 0.0024 164 GLY a C +25713 O O A GLY S 164 ? 0.7583 0.5952 0.5702 0.0557 -0.0010 0.0018 164 GLY a O +25714 O O B GLY S 164 ? 0.7580 0.5940 0.5695 0.0551 -0.0013 0.0018 164 GLY a O +25715 N N A GLN S 165 ? 0.7439 0.5896 0.5649 0.0498 -0.0020 0.0034 165 GLN a N +25716 N N B GLN S 165 ? 0.7429 0.5884 0.5638 0.0495 -0.0021 0.0034 165 GLN a N +25717 C CA A GLN S 165 ? 0.7387 0.5826 0.5600 0.0500 -0.0034 0.0039 165 GLN a CA +25718 C CA B GLN S 165 ? 0.7381 0.5818 0.5594 0.0496 -0.0035 0.0039 165 GLN a CA +25719 C C A GLN S 165 ? 0.7349 0.5852 0.5611 0.0530 -0.0030 0.0043 165 GLN a C +25720 C C B GLN S 165 ? 0.7365 0.5864 0.5626 0.0527 -0.0031 0.0043 165 GLN a C +25721 O O A GLN S 165 ? 0.7557 0.6042 0.5817 0.0541 -0.0041 0.0046 165 GLN a O +25722 O O B GLN S 165 ? 0.7593 0.6073 0.5850 0.0538 -0.0042 0.0046 165 GLN a O +25723 C CB A GLN S 165 ? 0.7523 0.5964 0.5758 0.0454 -0.0048 0.0046 165 GLN a CB +25724 C CB B GLN S 165 ? 0.7516 0.5959 0.5753 0.0450 -0.0049 0.0047 165 GLN a CB +25725 C CG A GLN S 165 ? 0.7498 0.5878 0.5687 0.0423 -0.0055 0.0041 165 GLN a CG +25726 C CG B GLN S 165 ? 0.7475 0.5857 0.5666 0.0419 -0.0055 0.0041 165 GLN a CG +25727 C CD A GLN S 165 ? 0.8319 0.6604 0.6432 0.0438 -0.0060 0.0031 165 GLN a CD +25728 C CD B GLN S 165 ? 0.8330 0.6617 0.6447 0.0433 -0.0061 0.0032 165 GLN a CD +25729 O OE1 A GLN S 165 ? 0.8461 0.6707 0.6556 0.0441 -0.0069 0.0033 165 GLN a OE1 +25730 O OE1 B GLN S 165 ? 0.8499 0.6748 0.6600 0.0435 -0.0070 0.0034 165 GLN a OE1 +25731 N NE2 A GLN S 165 ? 0.7996 0.6242 0.6063 0.0447 -0.0053 0.0021 165 GLN a NE2 +25732 N NE2 B GLN S 165 ? 0.8003 0.6250 0.6072 0.0444 -0.0054 0.0022 165 GLN a NE2 +25733 N N A GLY S 166 ? 0.7174 0.5749 0.5481 0.0544 -0.0014 0.0043 166 GLY a N +25734 N N B GLY S 166 ? 0.7178 0.5749 0.5483 0.0541 -0.0015 0.0043 166 GLY a N +25735 C CA A GLY S 166 ? 0.7133 0.5771 0.5487 0.0575 -0.0009 0.0045 166 GLY a CA +25736 C CA B GLY S 166 ? 0.7131 0.5763 0.5481 0.0574 -0.0010 0.0045 166 GLY a CA +25737 C C A GLY S 166 ? 0.7590 0.6303 0.6016 0.0556 -0.0015 0.0055 166 GLY a C +25738 C C B GLY S 166 ? 0.7611 0.6320 0.6035 0.0554 -0.0016 0.0055 166 GLY a C +25739 O O A GLY S 166 ? 0.7396 0.6160 0.5862 0.0581 -0.0014 0.0055 166 GLY a O +25740 O O B GLY S 166 ? 0.7407 0.6167 0.5870 0.0580 -0.0015 0.0055 166 GLY a O +25741 N N A SER S 167 ? 0.7046 0.5769 0.5492 0.0512 -0.0021 0.0061 167 SER a N +25742 N N B SER S 167 ? 0.7034 0.5754 0.5478 0.0511 -0.0022 0.0062 167 SER a N +25743 C CA A SER S 167 ? 0.6880 0.5669 0.5391 0.0494 -0.0028 0.0070 167 SER a CA +25744 C CA B SER S 167 ? 0.6880 0.5666 0.5389 0.0493 -0.0028 0.0070 167 SER a CA +25745 C C A SER S 167 ? 0.6758 0.5570 0.5294 0.0450 -0.0027 0.0077 167 SER a C +25746 C C B SER S 167 ? 0.6771 0.5578 0.5304 0.0448 -0.0029 0.0077 167 SER a C +25747 O O A SER S 167 ? 0.6583 0.5342 0.5083 0.0424 -0.0034 0.0076 167 SER a O +25748 O O B SER S 167 ? 0.6588 0.5340 0.5083 0.0423 -0.0036 0.0076 167 SER a O +25749 C CB A SER S 167 ? 0.7164 0.5919 0.5664 0.0494 -0.0047 0.0074 167 SER a CB +25750 C CB B SER S 167 ? 0.7171 0.5925 0.5671 0.0494 -0.0048 0.0074 167 SER a CB +25751 O OG A SER S 167 ? 0.6857 0.5676 0.5419 0.0479 -0.0054 0.0082 167 SER a OG +25752 O OG B SER S 167 ? 0.6850 0.5669 0.5412 0.0480 -0.0054 0.0082 167 SER a OG +25753 N N A PHE S 168 ? 0.6513 0.5404 0.5113 0.0440 -0.0020 0.0082 168 PHE a N +25754 N N B PHE S 168 ? 0.6476 0.5362 0.5073 0.0438 -0.0021 0.0082 168 PHE a N +25755 C CA A PHE S 168 ? 0.7036 0.5952 0.5665 0.0399 -0.0022 0.0089 168 PHE a CA +25756 C CA B PHE S 168 ? 0.7056 0.5965 0.5680 0.0397 -0.0024 0.0089 168 PHE a CA +25757 C C A PHE S 168 ? 0.7708 0.6603 0.6340 0.0372 -0.0042 0.0095 168 PHE a C +25758 C C B PHE S 168 ? 0.7778 0.6664 0.6404 0.0371 -0.0043 0.0095 168 PHE a C +25759 O O A PHE S 168 ? 0.7003 0.5899 0.5644 0.0338 -0.0046 0.0099 168 PHE a O +25760 O O B PHE S 168 ? 0.7038 0.5923 0.5672 0.0336 -0.0048 0.0099 168 PHE a O +25761 C CB A PHE S 168 ? 0.6679 0.5682 0.5374 0.0395 -0.0009 0.0093 168 PHE a CB +25762 C CB B PHE S 168 ? 0.6632 0.5628 0.5322 0.0393 -0.0011 0.0093 168 PHE a CB +25763 C CG A PHE S 168 ? 0.7516 0.6537 0.6205 0.0409 0.0013 0.0089 168 PHE a CG +25764 C CG B PHE S 168 ? 0.7526 0.6543 0.6213 0.0408 0.0012 0.0089 168 PHE a CG +25765 C CD1 A PHE S 168 ? 0.7584 0.6576 0.6242 0.0390 0.0020 0.0089 168 PHE a CD1 +25766 C CD1 B PHE S 168 ? 0.7588 0.6582 0.6248 0.0388 0.0019 0.0089 168 PHE a CD1 +25767 C CD2 A PHE S 168 ? 0.7442 0.6507 0.6155 0.0443 0.0028 0.0084 168 PHE a CD2 +25768 C CD2 B PHE S 168 ? 0.7470 0.6529 0.6180 0.0442 0.0025 0.0084 168 PHE a CD2 +25769 C CE1 A PHE S 168 ? 0.7914 0.6918 0.6561 0.0404 0.0041 0.0085 168 PHE a CE1 +25770 C CE1 B PHE S 168 ? 0.7935 0.6945 0.6588 0.0403 0.0041 0.0086 168 PHE a CE1 +25771 C CE2 A PHE S 168 ? 0.6466 0.5546 0.5172 0.0456 0.0050 0.0080 168 PHE a CE2 +25772 C CE2 B PHE S 168 ? 0.6429 0.5508 0.5136 0.0456 0.0048 0.0080 168 PHE a CE2 +25773 C CZ A PHE S 168 ? 0.7753 0.6802 0.6425 0.0436 0.0058 0.0081 168 PHE a CZ +25774 C CZ B PHE S 168 ? 0.7769 0.6821 0.6445 0.0436 0.0056 0.0081 168 PHE a CZ +25775 N N A SER S 169 ? 0.7355 0.6227 0.5976 0.0389 -0.0054 0.0095 169 SER a N +25776 N N B SER S 169 ? 0.7366 0.6233 0.5984 0.0388 -0.0055 0.0095 169 SER a N +25777 C CA A SER S 169 ? 0.7057 0.5900 0.5672 0.0365 -0.0071 0.0100 169 SER a CA +25778 C CA B SER S 169 ? 0.7059 0.5897 0.5672 0.0364 -0.0072 0.0100 169 SER a CA +25779 C C A SER S 169 ? 0.7031 0.5799 0.5592 0.0343 -0.0077 0.0097 169 SER a C +25780 C C B SER S 169 ? 0.7032 0.5795 0.5590 0.0343 -0.0078 0.0097 169 SER a C +25781 O O A SER S 169 ? 0.6981 0.5729 0.5541 0.0316 -0.0089 0.0101 169 SER a O +25782 O O B SER S 169 ? 0.6966 0.5708 0.5522 0.0316 -0.0090 0.0101 169 SER a O +25783 C CB A SER S 169 ? 0.6804 0.5633 0.5413 0.0391 -0.0081 0.0100 169 SER a CB +25784 C CB B SER S 169 ? 0.6799 0.5626 0.5406 0.0391 -0.0082 0.0100 169 SER a CB +25785 O OG A SER S 169 ? 0.7062 0.5823 0.5610 0.0418 -0.0082 0.0093 169 SER a OG +25786 O OG B SER S 169 ? 0.7070 0.5828 0.5616 0.0418 -0.0083 0.0093 169 SER a OG +25787 N N A ASP S 170 ? 0.6727 0.5453 0.5242 0.0355 -0.0069 0.0090 170 ASP a N +25788 N N B ASP S 170 ? 0.6717 0.5440 0.5231 0.0352 -0.0070 0.0090 170 ASP a N +25789 C CA A ASP S 170 ? 0.7392 0.6053 0.5860 0.0331 -0.0075 0.0086 170 ASP a CA +25790 C CA B ASP S 170 ? 0.7391 0.6049 0.5857 0.0329 -0.0076 0.0086 170 ASP a CA +25791 C C A ASP S 170 ? 0.7380 0.6061 0.5856 0.0309 -0.0068 0.0085 170 ASP a C +25792 C C B ASP S 170 ? 0.7404 0.6081 0.5878 0.0307 -0.0070 0.0085 170 ASP a C +25793 O O A ASP S 170 ? 0.8112 0.6744 0.6549 0.0292 -0.0073 0.0080 170 ASP a O +25794 O O B ASP S 170 ? 0.8176 0.6803 0.6610 0.0290 -0.0074 0.0080 170 ASP a O +25795 C CB A ASP S 170 ? 0.6974 0.5560 0.5374 0.0356 -0.0074 0.0077 170 ASP a CB +25796 C CB B ASP S 170 ? 0.6957 0.5540 0.5356 0.0354 -0.0076 0.0077 170 ASP a CB +25797 C CG A ASP S 170 ? 0.7304 0.5838 0.5675 0.0361 -0.0086 0.0078 170 ASP a CG +25798 C CG B ASP S 170 ? 0.7304 0.5836 0.5675 0.0359 -0.0088 0.0078 170 ASP a CG +25799 O OD1 A ASP S 170 ? 0.7689 0.6165 0.6009 0.0387 -0.0086 0.0072 170 ASP a OD1 +25800 O OD1 B ASP S 170 ? 0.7641 0.6112 0.5959 0.0384 -0.0088 0.0072 170 ASP a OD1 +25801 O OD2 A ASP S 170 ? 0.7644 0.6195 0.6043 0.0340 -0.0096 0.0085 170 ASP a OD2 +25802 O OD2 B ASP S 170 ? 0.7667 0.6217 0.6067 0.0338 -0.0097 0.0086 170 ASP a OD2 +25803 N N A GLY S 171 ? 0.7393 0.6145 0.5920 0.0307 -0.0058 0.0090 171 GLY a N +25804 N N B GLY S 171 ? 0.7398 0.6145 0.5922 0.0305 -0.0060 0.0090 171 GLY a N +25805 C CA A GLY S 171 ? 0.6994 0.5764 0.5531 0.0282 -0.0054 0.0092 171 GLY a CA +25806 C CA B GLY S 171 ? 0.6990 0.5756 0.5525 0.0280 -0.0056 0.0092 171 GLY a CA +25807 C C A GLY S 171 ? 0.7172 0.5945 0.5729 0.0244 -0.0068 0.0097 171 GLY a C +25808 C C B GLY S 171 ? 0.7184 0.5952 0.5738 0.0242 -0.0069 0.0097 171 GLY a C +25809 O O A GLY S 171 ? 0.6858 0.5635 0.5434 0.0237 -0.0078 0.0101 171 GLY a O +25810 O O B GLY S 171 ? 0.6852 0.5618 0.5420 0.0235 -0.0080 0.0101 171 GLY a O +25811 N N A MET S 172 ? 0.7054 0.5823 0.5605 0.0220 -0.0069 0.0097 172 MET a N +25812 N N B MET S 172 ? 0.7071 0.5843 0.5625 0.0219 -0.0069 0.0097 172 MET a N +25813 C CA A MET S 172 ? 0.6805 0.5577 0.5375 0.0185 -0.0082 0.0101 172 MET a CA +25814 C CA B MET S 172 ? 0.6812 0.5586 0.5384 0.0184 -0.0082 0.0101 172 MET a CA +25815 C C A MET S 172 ? 0.6885 0.5723 0.5517 0.0176 -0.0081 0.0111 172 MET a C +25816 C C B MET S 172 ? 0.6888 0.5729 0.5523 0.0175 -0.0081 0.0111 172 MET a C +25817 O O A MET S 172 ? 0.6651 0.5538 0.5313 0.0182 -0.0069 0.0114 172 MET a O +25818 O O B MET S 172 ? 0.6643 0.5533 0.5308 0.0182 -0.0069 0.0115 172 MET a O +25819 C CB A MET S 172 ? 0.6492 0.5249 0.5044 0.0165 -0.0084 0.0098 172 MET a CB +25820 C CB B MET S 172 ? 0.6489 0.5250 0.5043 0.0164 -0.0084 0.0098 172 MET a CB +25821 C CG A MET S 172 ? 0.6817 0.5565 0.5378 0.0131 -0.0100 0.0099 172 MET a CG +25822 C CG B MET S 172 ? 0.6820 0.5566 0.5380 0.0130 -0.0100 0.0099 172 MET a CG +25823 S SD A MET S 172 ? 0.7300 0.6037 0.5844 0.0108 -0.0105 0.0095 172 MET a SD +25824 S SD B MET S 172 ? 0.7316 0.6053 0.5860 0.0107 -0.0106 0.0095 172 MET a SD +25825 C CE A MET S 172 ? 0.6387 0.5197 0.4988 0.0098 -0.0098 0.0106 172 MET a CE +25826 C CE B MET S 172 ? 0.6394 0.5204 0.4992 0.0100 -0.0097 0.0106 172 MET a CE +25827 N N A PRO S 173 ? 0.6788 0.5628 0.5440 0.0160 -0.0092 0.0115 173 PRO a N +25828 N N B PRO S 173 ? 0.6785 0.5627 0.5439 0.0158 -0.0093 0.0115 173 PRO a N +25829 C CA A PRO S 173 ? 0.7300 0.6201 0.6010 0.0149 -0.0092 0.0123 173 PRO a CA +25830 C CA B PRO S 173 ? 0.7322 0.6224 0.6033 0.0147 -0.0093 0.0124 173 PRO a CA +25831 C C A PRO S 173 ? 0.7225 0.6153 0.5957 0.0124 -0.0092 0.0127 173 PRO a C +25832 C C B PRO S 173 ? 0.7240 0.6169 0.5972 0.0122 -0.0092 0.0127 173 PRO a C +25833 O O A PRO S 173 ? 0.7341 0.6238 0.6045 0.0109 -0.0096 0.0123 173 PRO a O +25834 O O B PRO S 173 ? 0.7364 0.6262 0.6069 0.0108 -0.0096 0.0123 173 PRO a O +25835 C CB A PRO S 173 ? 0.6225 0.5108 0.4938 0.0138 -0.0106 0.0126 173 PRO a CB +25836 C CB B PRO S 173 ? 0.6186 0.5069 0.4900 0.0135 -0.0106 0.0126 173 PRO a CB +25837 C CG A PRO S 173 ? 0.6125 0.4939 0.4782 0.0152 -0.0109 0.0119 173 PRO a CG +25838 C CG B PRO S 173 ? 0.6123 0.4939 0.4782 0.0149 -0.0110 0.0119 173 PRO a CG +25839 C CD A PRO S 173 ? 0.6440 0.5225 0.5061 0.0152 -0.0105 0.0112 173 PRO a CD +25840 C CD B PRO S 173 ? 0.6439 0.5226 0.5062 0.0151 -0.0105 0.0112 173 PRO a CD +25841 N N A LEU S 174 ? 0.6812 0.5797 0.5592 0.0119 -0.0087 0.0134 174 LEU a N +25842 N N B LEU S 174 ? 0.6825 0.5811 0.5606 0.0117 -0.0087 0.0134 174 LEU a N +25843 C CA A LEU S 174 ? 0.6746 0.5760 0.5549 0.0097 -0.0084 0.0139 174 LEU a CA +25844 C CA B LEU S 174 ? 0.6736 0.5751 0.5540 0.0095 -0.0085 0.0139 174 LEU a CA +25845 C C A LEU S 174 ? 0.6549 0.5568 0.5375 0.0070 -0.0098 0.0143 174 LEU a C +25846 C C B LEU S 174 ? 0.6539 0.5559 0.5366 0.0068 -0.0098 0.0143 174 LEU a C +25847 O O A LEU S 174 ? 0.6443 0.5506 0.5312 0.0062 -0.0097 0.0149 174 LEU a O +25848 O O B LEU S 174 ? 0.6458 0.5520 0.5328 0.0060 -0.0098 0.0149 174 LEU a O +25849 C CB A LEU S 174 ? 0.6465 0.5535 0.5305 0.0106 -0.0069 0.0144 174 LEU a CB +25850 C CB B LEU S 174 ? 0.6436 0.5507 0.5277 0.0104 -0.0070 0.0144 174 LEU a CB +25851 C CG A LEU S 174 ? 0.7044 0.6118 0.5870 0.0136 -0.0054 0.0140 174 LEU a CG +25852 C CG B LEU S 174 ? 0.7083 0.6158 0.5910 0.0133 -0.0055 0.0140 174 LEU a CG +25853 C CD1 A LEU S 174 ? 0.6855 0.5989 0.5723 0.0137 -0.0038 0.0145 174 LEU a CD1 +25854 C CD1 B LEU S 174 ? 0.6850 0.5983 0.5718 0.0135 -0.0038 0.0145 174 LEU a CD1 +25855 C CD2 A LEU S 174 ? 0.6770 0.5796 0.5542 0.0142 -0.0051 0.0133 174 LEU a CD2 +25856 C CD2 B LEU S 174 ? 0.6768 0.5795 0.5541 0.0139 -0.0052 0.0134 174 LEU a CD2 +25857 N N A GLY S 175 ? 0.6891 0.5866 0.5688 0.0057 -0.0109 0.0138 175 GLY a N +25858 N N B GLY S 175 ? 0.6907 0.5883 0.5705 0.0054 -0.0110 0.0139 175 GLY a N +25859 C CA A GLY S 175 ? 0.6585 0.5563 0.5402 0.0031 -0.0121 0.0141 175 GLY a CA +25860 C CA B GLY S 175 ? 0.6586 0.5563 0.5403 0.0030 -0.0122 0.0141 175 GLY a CA +25861 C C A GLY S 175 ? 0.6362 0.5289 0.5143 0.0017 -0.0131 0.0134 175 GLY a C +25862 C C B GLY S 175 ? 0.6358 0.5284 0.5139 0.0016 -0.0132 0.0134 175 GLY a C +25863 O O A GLY S 175 ? 0.6469 0.5355 0.5208 0.0028 -0.0131 0.0127 175 GLY a O +25864 O O B GLY S 175 ? 0.6462 0.5348 0.5201 0.0026 -0.0131 0.0127 175 GLY a O +25865 N N A ILE S 176 ? 0.6185 0.5116 0.4983 -0.0008 -0.0141 0.0135 176 ILE a N +25866 N N B ILE S 176 ? 0.6185 0.5117 0.4984 -0.0009 -0.0141 0.0135 176 ILE a N +25867 C CA A ILE S 176 ? 0.5924 0.4817 0.4697 -0.0026 -0.0151 0.0128 176 ILE a CA +25868 C CA B ILE S 176 ? 0.5918 0.4811 0.4691 -0.0027 -0.0152 0.0128 176 ILE a CA +25869 C C A ILE S 176 ? 0.6325 0.5170 0.5068 -0.0024 -0.0155 0.0123 176 ILE a C +25870 C C B ILE S 176 ? 0.6322 0.5168 0.5065 -0.0024 -0.0155 0.0123 176 ILE a C +25871 O O A ILE S 176 ? 0.7055 0.5856 0.5758 -0.0022 -0.0157 0.0115 176 ILE a O +25872 O O B ILE S 176 ? 0.7084 0.5885 0.5787 -0.0022 -0.0157 0.0115 176 ILE a O +25873 C CB A ILE S 176 ? 0.6296 0.5214 0.5102 -0.0052 -0.0159 0.0131 176 ILE a CB +25874 C CB B ILE S 176 ? 0.6285 0.5203 0.5091 -0.0053 -0.0160 0.0131 176 ILE a CB +25875 C CG1 A ILE S 176 ? 0.6264 0.5212 0.5083 -0.0053 -0.0157 0.0134 176 ILE a CG1 +25876 C CG1 B ILE S 176 ? 0.6284 0.5232 0.5104 -0.0056 -0.0158 0.0133 176 ILE a CG1 +25877 C CG2 A ILE S 176 ? 0.6025 0.4909 0.4815 -0.0073 -0.0170 0.0123 176 ILE a CG2 +25878 C CG2 B ILE S 176 ? 0.6019 0.4901 0.4807 -0.0074 -0.0171 0.0123 176 ILE a CG2 +25879 C CD1 A ILE S 176 ? 0.6089 0.5073 0.4948 -0.0073 -0.0162 0.0139 176 ILE a CD1 +25880 C CD1 B ILE S 176 ? 0.6080 0.5066 0.4942 -0.0074 -0.0162 0.0139 176 ILE a CD1 +25881 N N A SER S 177 ? 0.6673 0.5525 0.5433 -0.0024 -0.0155 0.0128 177 SER a N +25882 N N B SER S 177 ? 0.6694 0.5546 0.5454 -0.0025 -0.0155 0.0128 177 SER a N +25883 C CA A SER S 177 ? 0.6045 0.4848 0.4772 -0.0021 -0.0157 0.0124 177 SER a CA +25884 C CA B SER S 177 ? 0.6031 0.4836 0.4759 -0.0021 -0.0158 0.0125 177 SER a CA +25885 C C A SER S 177 ? 0.6488 0.5267 0.5183 0.0010 -0.0151 0.0122 177 SER a C +25886 C C B SER S 177 ? 0.6500 0.5280 0.5196 0.0009 -0.0151 0.0122 177 SER a C +25887 O O A SER S 177 ? 0.6629 0.5355 0.5282 0.0015 -0.0152 0.0117 177 SER a O +25888 O O B SER S 177 ? 0.6632 0.5358 0.5285 0.0013 -0.0153 0.0116 177 SER a O +25889 C CB A SER S 177 ? 0.6197 0.5010 0.4946 -0.0028 -0.0160 0.0131 177 SER a CB +25890 C CB B SER S 177 ? 0.6198 0.5015 0.4950 -0.0028 -0.0160 0.0131 177 SER a CB +25891 O OG A SER S 177 ? 0.6271 0.5093 0.5040 -0.0057 -0.0166 0.0130 177 SER a OG +25892 O OG B SER S 177 ? 0.6261 0.5084 0.5031 -0.0057 -0.0166 0.0131 177 SER a OG +25893 N N A GLY S 178 ? 0.6251 0.5070 0.4966 0.0031 -0.0143 0.0127 178 GLY a N +25894 N N B GLY S 178 ? 0.6254 0.5072 0.4969 0.0030 -0.0143 0.0126 178 GLY a N +25895 C CA A GLY S 178 ? 0.6582 0.5381 0.5268 0.0061 -0.0136 0.0123 178 GLY a CA +25896 C CA B GLY S 178 ? 0.6590 0.5389 0.5275 0.0061 -0.0136 0.0123 178 GLY a CA +25897 C C A GLY S 178 ? 0.7240 0.5999 0.5883 0.0064 -0.0135 0.0115 178 GLY a C +25898 C C B GLY S 178 ? 0.7260 0.6018 0.5902 0.0063 -0.0135 0.0114 178 GLY a C +25899 O O A GLY S 178 ? 0.7222 0.5937 0.5824 0.0082 -0.0133 0.0109 178 GLY a O +25900 O O B GLY S 178 ? 0.7239 0.5953 0.5840 0.0081 -0.0133 0.0109 178 GLY a O +25901 N N A THR S 179 ? 0.6826 0.5598 0.5476 0.0046 -0.0137 0.0113 179 THR a N +25902 N N B THR S 179 ? 0.6832 0.5603 0.5481 0.0046 -0.0137 0.0113 179 THR a N +25903 C CA A THR S 179 ? 0.6648 0.5380 0.5256 0.0046 -0.0138 0.0104 179 THR a CA +25904 C CA B THR S 179 ? 0.6652 0.5384 0.5259 0.0046 -0.0138 0.0104 179 THR a CA +25905 C C A THR S 179 ? 0.6769 0.5440 0.5338 0.0035 -0.0147 0.0096 179 THR a C +25906 C C B THR S 179 ? 0.6778 0.5448 0.5347 0.0034 -0.0147 0.0096 179 THR a C +25907 O O A THR S 179 ? 0.6802 0.5425 0.5325 0.0048 -0.0145 0.0088 179 THR a O +25908 O O B THR S 179 ? 0.6801 0.5423 0.5323 0.0047 -0.0146 0.0088 179 THR a O +25909 C CB A THR S 179 ? 0.6870 0.5627 0.5493 0.0028 -0.0141 0.0104 179 THR a CB +25910 C CB B THR S 179 ? 0.6878 0.5633 0.5499 0.0027 -0.0142 0.0103 179 THR a CB +25911 O OG1 A THR S 179 ? 0.6605 0.5412 0.5257 0.0039 -0.0131 0.0111 179 THR a OG1 +25912 O OG1 B THR S 179 ? 0.6608 0.5416 0.5262 0.0037 -0.0132 0.0111 179 THR a OG1 +25913 C CG2 A THR S 179 ? 0.6678 0.5390 0.5254 0.0026 -0.0146 0.0093 179 THR a CG2 +25914 C CG2 B THR S 179 ? 0.6693 0.5406 0.5268 0.0028 -0.0145 0.0093 179 THR a CG2 +25915 N N A PHE S 180 ? 0.6205 0.4875 0.4792 0.0010 -0.0155 0.0098 180 PHE a N +25916 N N B PHE S 180 ? 0.6187 0.4857 0.4774 0.0010 -0.0155 0.0098 180 PHE a N +25917 C CA A PHE S 180 ? 0.6710 0.5322 0.5262 -0.0004 -0.0161 0.0090 180 PHE a CA +25918 C CA B PHE S 180 ? 0.6717 0.5330 0.5270 -0.0005 -0.0162 0.0091 180 PHE a CA +25919 C C A PHE S 180 ? 0.7115 0.5684 0.5632 0.0019 -0.0157 0.0090 180 PHE a C +25920 C C B PHE S 180 ? 0.7122 0.5692 0.5640 0.0018 -0.0157 0.0090 180 PHE a C +25921 O O A PHE S 180 ? 0.7557 0.6066 0.6027 0.0020 -0.0158 0.0082 180 PHE a O +25922 O O B PHE S 180 ? 0.7590 0.6101 0.6061 0.0019 -0.0159 0.0082 180 PHE a O +25923 C CB A PHE S 180 ? 0.6716 0.5341 0.5298 -0.0034 -0.0168 0.0093 180 PHE a CB +25924 C CB B PHE S 180 ? 0.6718 0.5346 0.5302 -0.0035 -0.0168 0.0094 180 PHE a CB +25925 C CG A PHE S 180 ? 0.6662 0.5332 0.5281 -0.0055 -0.0174 0.0094 180 PHE a CG +25926 C CG B PHE S 180 ? 0.6662 0.5332 0.5281 -0.0056 -0.0174 0.0094 180 PHE a CG +25927 C CD1 A PHE S 180 ? 0.6565 0.5234 0.5171 -0.0055 -0.0177 0.0087 180 PHE a CD1 +25928 C CD1 B PHE S 180 ? 0.6562 0.5231 0.5167 -0.0056 -0.0177 0.0087 180 PHE a CD1 +25929 C CD2 A PHE S 180 ? 0.6709 0.5417 0.5371 -0.0073 -0.0176 0.0100 180 PHE a CD2 +25930 C CD2 B PHE S 180 ? 0.6713 0.5422 0.5376 -0.0074 -0.0177 0.0100 180 PHE a CD2 +25931 C CE1 A PHE S 180 ? 0.6773 0.5481 0.5409 -0.0072 -0.0183 0.0088 180 PHE a CE1 +25932 C CE1 B PHE S 180 ? 0.6784 0.5488 0.5418 -0.0072 -0.0183 0.0087 180 PHE a CE1 +25933 C CE2 A PHE S 180 ? 0.6331 0.5077 0.5025 -0.0090 -0.0182 0.0100 180 PHE a CE2 +25934 C CE2 B PHE S 180 ? 0.6338 0.5082 0.5030 -0.0090 -0.0182 0.0100 180 PHE a CE2 +25935 C CZ A PHE S 180 ? 0.6683 0.5429 0.5364 -0.0089 -0.0186 0.0094 180 PHE a CZ +25936 C CZ B PHE S 180 ? 0.6685 0.5428 0.5363 -0.0089 -0.0186 0.0094 180 PHE a CZ +25937 N N A ASN S 181 ? 0.6740 0.5339 0.5280 0.0038 -0.0151 0.0099 181 ASN a N +25938 N N B ASN S 181 ? 0.6743 0.5342 0.5283 0.0036 -0.0152 0.0099 181 ASN a N +25939 C CA A ASN S 181 ? 0.6908 0.5469 0.5415 0.0063 -0.0148 0.0099 181 ASN a CA +25940 C CA B ASN S 181 ? 0.6918 0.5480 0.5426 0.0063 -0.0148 0.0099 181 ASN a CA +25941 C C A ASN S 181 ? 0.6775 0.5304 0.5241 0.0089 -0.0143 0.0092 181 ASN a C +25942 C C B ASN S 181 ? 0.6776 0.5306 0.5243 0.0088 -0.0143 0.0092 181 ASN a C +25943 O O A ASN S 181 ? 0.6929 0.5396 0.5346 0.0099 -0.0143 0.0086 181 ASN a O +25944 O O B ASN S 181 ? 0.6921 0.5389 0.5339 0.0097 -0.0143 0.0086 181 ASN a O +25945 C CB A ASN S 181 ? 0.6132 0.4741 0.4677 0.0081 -0.0145 0.0109 181 ASN a CB +25946 C CB B ASN S 181 ? 0.6106 0.4716 0.4651 0.0081 -0.0145 0.0109 181 ASN a CB +25947 C CG A ASN S 181 ? 0.7292 0.5866 0.5806 0.0111 -0.0143 0.0110 181 ASN a CG +25948 C CG B ASN S 181 ? 0.7322 0.5898 0.5836 0.0111 -0.0142 0.0109 181 ASN a CG +25949 O OD1 A ASN S 181 ? 0.6796 0.5378 0.5303 0.0142 -0.0137 0.0108 181 ASN a OD1 +25950 O OD1 B ASN S 181 ? 0.6790 0.5376 0.5298 0.0142 -0.0136 0.0108 181 ASN a OD1 +25951 N ND2 A ASN S 181 ? 0.6285 0.4820 0.4779 0.0102 -0.0148 0.0111 181 ASN a ND2 +25952 N ND2 B ASN S 181 ? 0.6274 0.4808 0.4767 0.0103 -0.0147 0.0111 181 ASN a ND2 +25953 N N A PHE S 182 ? 0.6985 0.5554 0.5468 0.0100 -0.0137 0.0092 182 PHE a N +25954 N N B PHE S 182 ? 0.6993 0.5564 0.5477 0.0099 -0.0137 0.0092 182 PHE a N +25955 C CA A PHE S 182 ? 0.7296 0.5840 0.5741 0.0124 -0.0130 0.0085 182 PHE a CA +25956 C CA B PHE S 182 ? 0.7328 0.5873 0.5774 0.0122 -0.0130 0.0085 182 PHE a CA +25957 C C A PHE S 182 ? 0.7418 0.5899 0.5813 0.0110 -0.0136 0.0074 182 PHE a C +25958 C C B PHE S 182 ? 0.7430 0.5912 0.5826 0.0108 -0.0136 0.0074 182 PHE a C +25959 O O A PHE S 182 ? 0.7515 0.5942 0.5860 0.0129 -0.0134 0.0067 182 PHE a O +25960 O O B PHE S 182 ? 0.7547 0.5975 0.5894 0.0127 -0.0134 0.0067 182 PHE a O +25961 C CB A PHE S 182 ? 0.6799 0.5401 0.5275 0.0132 -0.0122 0.0088 182 PHE a CB +25962 C CB B PHE S 182 ? 0.6778 0.5380 0.5254 0.0129 -0.0122 0.0087 182 PHE a CB +25963 C CG A PHE S 182 ? 0.6942 0.5524 0.5381 0.0155 -0.0113 0.0080 182 PHE a CG +25964 C CG B PHE S 182 ? 0.6939 0.5523 0.5380 0.0153 -0.0113 0.0080 182 PHE a CG +25965 C CD1 A PHE S 182 ? 0.6816 0.5406 0.5250 0.0191 -0.0102 0.0081 182 PHE a CD1 +25966 C CD1 B PHE S 182 ? 0.6811 0.5405 0.5248 0.0188 -0.0102 0.0081 182 PHE a CD1 +25967 C CD2 A PHE S 182 ? 0.6316 0.4875 0.4729 0.0142 -0.0116 0.0073 182 PHE a CD2 +25968 C CD2 B PHE S 182 ? 0.6306 0.4865 0.4718 0.0141 -0.0116 0.0073 182 PHE a CD2 +25969 C CE1 A PHE S 182 ? 0.6940 0.5513 0.5340 0.0213 -0.0092 0.0074 182 PHE a CE1 +25970 C CE1 B PHE S 182 ? 0.6942 0.5520 0.5346 0.0211 -0.0092 0.0075 182 PHE a CE1 +25971 C CE2 A PHE S 182 ? 0.7045 0.5585 0.5422 0.0164 -0.0107 0.0066 182 PHE a CE2 +25972 C CE2 B PHE S 182 ? 0.7050 0.5590 0.5426 0.0164 -0.0107 0.0066 182 PHE a CE2 +25973 C CZ A PHE S 182 ? 0.7041 0.5588 0.5411 0.0199 -0.0094 0.0067 182 PHE a CZ +25974 C CZ B PHE S 182 ? 0.7044 0.5593 0.5416 0.0199 -0.0094 0.0067 182 PHE a CZ +25975 N N A MET S 183 ? 0.6493 0.4977 0.4900 0.0077 -0.0145 0.0071 183 MET a N +25976 N N B MET S 183 ? 0.6470 0.4957 0.4879 0.0075 -0.0145 0.0071 183 MET a N +25977 C CA A MET S 183 ? 0.7034 0.5463 0.5398 0.0060 -0.0152 0.0060 183 MET a CA +25978 C CA B MET S 183 ? 0.7033 0.5464 0.5399 0.0058 -0.0153 0.0059 183 MET a CA +25979 C C A MET S 183 ? 0.7428 0.5792 0.5754 0.0055 -0.0156 0.0055 183 MET a C +25980 C C B MET S 183 ? 0.7438 0.5803 0.5765 0.0054 -0.0156 0.0055 183 MET a C +25981 O O A MET S 183 ? 0.7181 0.5485 0.5455 0.0060 -0.0157 0.0045 183 MET a O +25982 O O B MET S 183 ? 0.7186 0.5491 0.5461 0.0059 -0.0157 0.0045 183 MET a O +25983 C CB A MET S 183 ? 0.6542 0.4997 0.4935 0.0025 -0.0162 0.0058 183 MET a CB +25984 C CB B MET S 183 ? 0.6519 0.4976 0.4913 0.0024 -0.0163 0.0058 183 MET a CB +25985 C CG A MET S 183 ? 0.6823 0.5332 0.5244 0.0027 -0.0160 0.0061 183 MET a CG +25986 C CG B MET S 183 ? 0.6819 0.5333 0.5246 0.0026 -0.0160 0.0062 183 MET a CG +25987 S SD A MET S 183 ? 0.7374 0.5915 0.5833 -0.0011 -0.0173 0.0060 183 MET a SD +25988 S SD B MET S 183 ? 0.7353 0.5897 0.5814 -0.0012 -0.0173 0.0061 183 MET a SD +25989 C CE A MET S 183 ? 0.6811 0.5301 0.5219 -0.0021 -0.0184 0.0044 183 MET a CE +25990 C CE B MET S 183 ? 0.6811 0.5303 0.5220 -0.0019 -0.0183 0.0045 183 MET a CE +25991 N N A ILE S 184 ? 0.7147 0.5519 0.5496 0.0043 -0.0157 0.0063 184 ILE a N +25992 N N B ILE S 184 ? 0.7146 0.5520 0.5496 0.0043 -0.0157 0.0063 184 ILE a N +25993 C CA A ILE S 184 ? 0.7218 0.5526 0.5530 0.0034 -0.0160 0.0060 184 ILE a CA +25994 C CA B ILE S 184 ? 0.7228 0.5536 0.5540 0.0035 -0.0160 0.0060 184 ILE a CA +25995 C C A ILE S 184 ? 0.7638 0.5901 0.5905 0.0070 -0.0153 0.0059 184 ILE a C +25996 C C B ILE S 184 ? 0.7654 0.5918 0.5922 0.0070 -0.0153 0.0059 184 ILE a C +25997 O O A ILE S 184 ? 0.7638 0.5830 0.5851 0.0071 -0.0154 0.0050 184 ILE a O +25998 O O B ILE S 184 ? 0.7655 0.5848 0.5868 0.0071 -0.0154 0.0050 184 ILE a O +25999 C CB A ILE S 184 ? 0.6660 0.4990 0.5007 0.0016 -0.0161 0.0069 184 ILE a CB +26000 C CB B ILE S 184 ? 0.6641 0.4971 0.4988 0.0016 -0.0161 0.0068 184 ILE a CB +26001 C CG1 A ILE S 184 ? 0.6947 0.5315 0.5335 -0.0020 -0.0168 0.0068 184 ILE a CG1 +26002 C CG1 B ILE S 184 ? 0.6936 0.5307 0.5325 -0.0020 -0.0168 0.0068 184 ILE a CG1 +26003 C CG2 A ILE S 184 ? 0.7230 0.5490 0.5534 0.0011 -0.0161 0.0068 184 ILE a CG2 +26004 C CG2 B ILE S 184 ? 0.7246 0.5506 0.5551 0.0009 -0.0161 0.0067 184 ILE a CG2 +26005 C CD1 A ILE S 184 ? 0.7008 0.5418 0.5442 -0.0034 -0.0168 0.0078 184 ILE a CD1 +26006 C CD1 B ILE S 184 ? 0.7032 0.5441 0.5465 -0.0034 -0.0168 0.0078 184 ILE a CD1 +26007 N N A VAL S 185 ? 0.7315 0.5617 0.5603 0.0101 -0.0147 0.0067 185 VAL a N +26008 N N B VAL S 185 ? 0.7319 0.5622 0.5608 0.0101 -0.0147 0.0067 185 VAL a N +26009 C CA A VAL S 185 ? 0.7600 0.5865 0.5848 0.0139 -0.0141 0.0066 185 VAL a CA +26010 C CA B VAL S 185 ? 0.7607 0.5874 0.5857 0.0139 -0.0141 0.0066 185 VAL a CA +26011 C C A VAL S 185 ? 0.7361 0.5592 0.5567 0.0154 -0.0138 0.0055 185 VAL a C +26012 C C B VAL S 185 ? 0.7360 0.5593 0.5568 0.0154 -0.0138 0.0055 185 VAL a C +26013 O O A VAL S 185 ? 0.7788 0.5955 0.5940 0.0173 -0.0136 0.0049 185 VAL a O +26014 O O B VAL S 185 ? 0.7802 0.5972 0.5956 0.0174 -0.0136 0.0049 185 VAL a O +26015 C CB A VAL S 185 ? 0.7500 0.5824 0.5788 0.0168 -0.0136 0.0075 185 VAL a CB +26016 C CB B VAL S 185 ? 0.7504 0.5831 0.5794 0.0168 -0.0135 0.0075 185 VAL a CB +26017 C CG1 A VAL S 185 ? 0.6997 0.5292 0.5248 0.0211 -0.0130 0.0073 185 VAL a CG1 +26018 C CG1 B VAL S 185 ? 0.6989 0.5286 0.5242 0.0211 -0.0130 0.0073 185 VAL a CG1 +26019 C CG2 A VAL S 185 ? 0.7282 0.5625 0.5600 0.0156 -0.0140 0.0085 185 VAL a CG2 +26020 C CG2 B VAL S 185 ? 0.7301 0.5648 0.5621 0.0156 -0.0140 0.0085 185 VAL a CG2 +26021 N N A PHE S 186 ? 0.7692 0.5964 0.5920 0.0148 -0.0137 0.0052 186 PHE a N +26022 N N B PHE S 186 ? 0.7714 0.5986 0.5942 0.0146 -0.0137 0.0052 186 PHE a N +26023 C CA A PHE S 186 ? 0.7452 0.5691 0.5637 0.0160 -0.0134 0.0041 186 PHE a CA +26024 C CA B PHE S 186 ? 0.7465 0.5705 0.5651 0.0159 -0.0134 0.0041 186 PHE a CA +26025 C C A PHE S 186 ? 0.7062 0.5222 0.5193 0.0141 -0.0142 0.0030 186 PHE a C +26026 C C B PHE S 186 ? 0.7048 0.5209 0.5180 0.0140 -0.0142 0.0030 186 PHE a C +26027 O O A PHE S 186 ? 0.7517 0.5620 0.5594 0.0160 -0.0139 0.0021 186 PHE a O +26028 O O B PHE S 186 ? 0.7517 0.5622 0.5594 0.0159 -0.0139 0.0021 186 PHE a O +26029 C CB A PHE S 186 ? 0.7318 0.5611 0.5534 0.0151 -0.0133 0.0041 186 PHE a CB +26030 C CB B PHE S 186 ? 0.7310 0.5604 0.5527 0.0149 -0.0133 0.0041 186 PHE a CB +26031 C CG A PHE S 186 ? 0.7151 0.5438 0.5338 0.0178 -0.0124 0.0035 186 PHE a CG +26032 C CG B PHE S 186 ? 0.7135 0.5424 0.5324 0.0177 -0.0124 0.0035 186 PHE a CG +26033 C CD1 A PHE S 186 ? 0.7482 0.5710 0.5614 0.0177 -0.0127 0.0022 186 PHE a CD1 +26034 C CD1 B PHE S 186 ? 0.7496 0.5723 0.5627 0.0176 -0.0127 0.0022 186 PHE a CD1 +26035 C CD2 A PHE S 186 ? 0.7134 0.5477 0.5351 0.0205 -0.0111 0.0041 186 PHE a CD2 +26036 C CD2 B PHE S 186 ? 0.7122 0.5466 0.5340 0.0204 -0.0111 0.0041 186 PHE a CD2 +26037 C CE1 A PHE S 186 ? 0.7389 0.5609 0.5491 0.0203 -0.0118 0.0016 186 PHE a CE1 +26038 C CE1 B PHE S 186 ? 0.7390 0.5610 0.5492 0.0203 -0.0118 0.0016 186 PHE a CE1 +26039 C CE2 A PHE S 186 ? 0.7641 0.5980 0.5833 0.0230 -0.0100 0.0036 186 PHE a CE2 +26040 C CE2 B PHE S 186 ? 0.7656 0.5995 0.5847 0.0229 -0.0101 0.0036 186 PHE a CE2 +26041 C CZ A PHE S 186 ? 0.7299 0.5576 0.5431 0.0230 -0.0104 0.0023 186 PHE a CZ +26042 C CZ B PHE S 186 ? 0.7295 0.5572 0.5427 0.0230 -0.0104 0.0023 186 PHE a CZ +26043 N N A GLN S 187 ? 0.7232 0.5387 0.5378 0.0102 -0.0151 0.0029 187 GLN a N +26044 N N B GLN S 187 ? 0.7230 0.5386 0.5376 0.0101 -0.0151 0.0029 187 GLN a N +26045 C CA A GLN S 187 ? 0.7394 0.5478 0.5493 0.0079 -0.0158 0.0018 187 GLN a CA +26046 C CA B GLN S 187 ? 0.7391 0.5476 0.5492 0.0078 -0.0159 0.0018 187 GLN a CA +26047 C C A GLN S 187 ? 0.8094 0.6107 0.6144 0.0094 -0.0155 0.0017 187 GLN a C +26048 C C B GLN S 187 ? 0.8118 0.6133 0.6170 0.0093 -0.0155 0.0017 187 GLN a C +26049 O O A GLN S 187 ? 0.7836 0.5777 0.5827 0.0098 -0.0156 0.0006 187 GLN a O +26050 O O B GLN S 187 ? 0.7857 0.5799 0.5851 0.0094 -0.0157 0.0007 187 GLN a O +26051 C CB A GLN S 187 ? 0.6491 0.4595 0.4625 0.0035 -0.0168 0.0018 187 GLN a CB +26052 C CB B GLN S 187 ? 0.6461 0.4566 0.4596 0.0034 -0.0168 0.0018 187 GLN a CB +26053 C CG A GLN S 187 ? 0.7089 0.5125 0.5185 0.0005 -0.0175 0.0007 187 GLN a CG +26054 C CG B GLN S 187 ? 0.7069 0.5107 0.5167 0.0004 -0.0175 0.0007 187 GLN a CG +26055 C CD A GLN S 187 ? 0.8228 0.6215 0.6275 0.0004 -0.0180 -0.0009 187 GLN a CD +26056 C CD B GLN S 187 ? 0.8258 0.6248 0.6306 0.0005 -0.0180 -0.0009 187 GLN a CD +26057 O OE1 A GLN S 187 ? 0.7804 0.5817 0.5851 0.0020 -0.0180 -0.0012 187 GLN a OE1 +26058 O OE1 B GLN S 187 ? 0.7804 0.5821 0.5854 0.0019 -0.0180 -0.0012 187 GLN a OE1 +26059 N NE2 A GLN S 187 ? 0.7125 0.5040 0.5127 -0.0015 -0.0184 -0.0019 187 GLN a NE2 +26060 N NE2 B GLN S 187 ? 0.7111 0.5025 0.5111 -0.0010 -0.0183 -0.0019 187 GLN a NE2 +26061 N N A ALA S 188 ? 0.7894 0.5923 0.5964 0.0105 -0.0151 0.0029 188 ALA a N +26062 N N B ALA S 188 ? 0.7904 0.5937 0.5977 0.0105 -0.0151 0.0029 188 ALA a N +26063 C CA A ALA S 188 ? 0.7930 0.5892 0.5953 0.0122 -0.0148 0.0030 188 ALA a CA +26064 C CA B ALA S 188 ? 0.7938 0.5904 0.5965 0.0122 -0.0148 0.0031 188 ALA a CA +26065 C C A ALA S 188 ? 0.7713 0.5642 0.5691 0.0166 -0.0142 0.0025 188 ALA a C +26066 C C B ALA S 188 ? 0.7708 0.5638 0.5688 0.0164 -0.0142 0.0025 188 ALA a C +26067 O O A ALA S 188 ? 0.7682 0.5532 0.5600 0.0177 -0.0141 0.0020 188 ALA a O +26068 O O B ALA S 188 ? 0.7661 0.5511 0.5580 0.0173 -0.0142 0.0020 188 ALA a O +26069 C CB A ALA S 188 ? 0.8012 0.6005 0.6067 0.0129 -0.0147 0.0044 188 ALA a CB +26070 C CB B ALA S 188 ? 0.8018 0.6018 0.6079 0.0129 -0.0147 0.0045 188 ALA a CB +26071 N N A GLU S 189 ? 0.7496 0.5484 0.5503 0.0191 -0.0137 0.0027 189 GLU a N +26072 N N B GLU S 189 ? 0.7497 0.5484 0.5503 0.0191 -0.0137 0.0027 189 GLU a N +26073 C CA A GLU S 189 ? 0.7914 0.5883 0.5888 0.0236 -0.0129 0.0024 189 GLU a CA +26074 C CA B GLU S 189 ? 0.7922 0.5885 0.5891 0.0235 -0.0129 0.0024 189 GLU a CA +26075 C C A GLU S 189 ? 0.8783 0.6724 0.6719 0.0243 -0.0127 0.0011 189 GLU a C +26076 C C B GLU S 189 ? 0.8828 0.6763 0.6760 0.0241 -0.0127 0.0011 189 GLU a C +26077 O O A GLU S 189 ? 0.8528 0.6433 0.6422 0.0278 -0.0120 0.0006 189 GLU a O +26078 O O B GLU S 189 ? 0.8526 0.6423 0.6414 0.0276 -0.0121 0.0005 189 GLU a O +26079 C CB A GLU S 189 ? 0.7474 0.5525 0.5502 0.0264 -0.0122 0.0034 189 GLU a CB +26080 C CB B GLU S 189 ? 0.7447 0.5488 0.5467 0.0265 -0.0122 0.0034 189 GLU a CB +26081 C CG A GLU S 189 ? 0.7913 0.5979 0.5967 0.0263 -0.0125 0.0046 189 GLU a CG +26082 C CG B GLU S 189 ? 0.7922 0.5991 0.5979 0.0260 -0.0126 0.0046 189 GLU a CG +26083 C CD A GLU S 189 ? 0.7511 0.5651 0.5614 0.0292 -0.0120 0.0055 189 GLU a CD +26084 C CD B GLU S 189 ? 0.7516 0.5650 0.5614 0.0293 -0.0120 0.0054 189 GLU a CD +26085 O OE1 A GLU S 189 ? 0.7584 0.5778 0.5715 0.0306 -0.0113 0.0054 189 GLU a OE1 +26086 O OE1 B GLU S 189 ? 0.7830 0.6013 0.5951 0.0310 -0.0113 0.0052 189 GLU a OE1 +26087 O OE2 A GLU S 189 ? 0.8042 0.6183 0.6154 0.0300 -0.0124 0.0062 189 GLU a OE2 +26088 O OE2 B GLU S 189 ? 0.8057 0.6193 0.6164 0.0303 -0.0123 0.0062 189 GLU a OE2 +26089 N N A HIS S 190 ? 0.7693 0.5645 0.5639 0.0210 -0.0133 0.0006 190 HIS a N +26090 N N B HIS S 190 ? 0.7694 0.5644 0.5639 0.0209 -0.0133 0.0005 190 HIS a N +26091 C CA A HIS S 190 ? 0.7351 0.5277 0.5259 0.0215 -0.0132 -0.0007 190 HIS a CA +26092 C CA B HIS S 190 ? 0.7344 0.5268 0.5252 0.0213 -0.0132 -0.0007 190 HIS a CA +26093 C C A HIS S 190 ? 0.7746 0.5629 0.5631 0.0175 -0.0144 -0.0018 190 HIS a C +26094 C C B HIS S 190 ? 0.7747 0.5630 0.5632 0.0173 -0.0144 -0.0018 190 HIS a C +26095 O O A HIS S 190 ? 0.8011 0.5862 0.5857 0.0178 -0.0145 -0.0030 190 HIS a O +26096 O O B HIS S 190 ? 0.8020 0.5872 0.5867 0.0176 -0.0145 -0.0030 190 HIS a O +26097 C CB A HIS S 190 ? 0.6833 0.4835 0.4783 0.0225 -0.0125 -0.0004 190 HIS a CB +26098 C CB B HIS S 190 ? 0.6808 0.4810 0.4758 0.0224 -0.0126 -0.0004 190 HIS a CB +26099 C CG A HIS S 190 ? 0.7603 0.5657 0.5584 0.0261 -0.0113 0.0006 190 HIS a CG +26100 C CG B HIS S 190 ? 0.7617 0.5669 0.5597 0.0261 -0.0113 0.0006 190 HIS a CG +26101 N ND1 A HIS S 190 ? 0.7448 0.5479 0.5395 0.0304 -0.0103 0.0002 190 HIS a ND1 +26102 N ND1 B HIS S 190 ? 0.7457 0.5483 0.5401 0.0303 -0.0103 0.0002 190 HIS a ND1 +26103 C CD2 A HIS S 190 ? 0.6881 0.5010 0.4926 0.0262 -0.0110 0.0019 190 HIS a CD2 +26104 C CD2 B HIS S 190 ? 0.6872 0.4999 0.4915 0.0263 -0.0110 0.0019 190 HIS a CD2 +26105 C CE1 A HIS S 190 ? 0.7518 0.5611 0.5509 0.0328 -0.0094 0.0012 190 HIS a CE1 +26106 C CE1 B HIS S 190 ? 0.7519 0.5606 0.5506 0.0329 -0.0095 0.0011 190 HIS a CE1 +26107 N NE2 A HIS S 190 ? 0.7595 0.5746 0.5644 0.0303 -0.0099 0.0022 190 HIS a NE2 +26108 N NE2 B HIS S 190 ? 0.7616 0.5764 0.5663 0.0304 -0.0099 0.0021 190 HIS a NE2 +26109 N N A ASN S 191 ? 0.7507 0.5390 0.5414 0.0138 -0.0152 -0.0015 191 ASN a N +26110 N N B ASN S 191 ? 0.7498 0.5379 0.5404 0.0136 -0.0152 -0.0016 191 ASN a N +26111 C CA A ASN S 191 ? 0.8301 0.6155 0.6196 0.0097 -0.0164 -0.0027 191 ASN a CA +26112 C CA B ASN S 191 ? 0.8323 0.6175 0.6217 0.0096 -0.0164 -0.0027 191 ASN a CA +26113 C C A ASN S 191 ? 0.8573 0.6466 0.6482 0.0090 -0.0168 -0.0033 191 ASN a C +26114 C C B ASN S 191 ? 0.8603 0.6495 0.6512 0.0089 -0.0169 -0.0033 191 ASN a C +26115 O O A ASN S 191 ? 0.8021 0.5871 0.5888 0.0084 -0.0174 -0.0047 191 ASN a O +26116 O O B ASN S 191 ? 0.8026 0.5875 0.5892 0.0083 -0.0175 -0.0048 191 ASN a O +26117 C CB A ASN S 191 ? 0.7845 0.5598 0.5666 0.0095 -0.0166 -0.0039 191 ASN a CB +26118 C CB B ASN S 191 ? 0.7835 0.5587 0.5655 0.0094 -0.0166 -0.0040 191 ASN a CB +26119 C CG A ASN S 191 ? 0.8435 0.6155 0.6251 0.0047 -0.0177 -0.0048 191 ASN a CG +26120 C CG B ASN S 191 ? 0.8446 0.6164 0.6260 0.0046 -0.0178 -0.0049 191 ASN a CG +26121 O OD1 A ASN S 191 ? 0.8491 0.6263 0.6358 0.0016 -0.0184 -0.0045 191 ASN a OD1 +26122 O OD1 B ASN S 191 ? 0.8499 0.6268 0.6365 0.0015 -0.0184 -0.0046 191 ASN a OD1 +26123 N ND2 A ASN S 191 ? 0.8548 0.6182 0.6303 0.0041 -0.0179 -0.0060 191 ASN a ND2 +26124 N ND2 B ASN S 191 ? 0.8561 0.6191 0.6312 0.0040 -0.0180 -0.0060 191 ASN a ND2 +26125 N N A ILE S 192 ? 0.7706 0.5682 0.5675 0.0092 -0.0166 -0.0022 192 ILE a N +26126 N N B ILE S 192 ? 0.7714 0.5688 0.5681 0.0092 -0.0166 -0.0023 192 ILE a N +26127 C CA A ILE S 192 ? 0.7579 0.5594 0.5559 0.0092 -0.0168 -0.0026 192 ILE a CA +26128 C CA B ILE S 192 ? 0.7579 0.5594 0.5559 0.0092 -0.0168 -0.0026 192 ILE a CA +26129 C C A ILE S 192 ? 0.7673 0.5674 0.5649 0.0054 -0.0184 -0.0037 192 ILE a C +26130 C C B ILE S 192 ? 0.7679 0.5680 0.5655 0.0054 -0.0184 -0.0038 192 ILE a C +26131 O O A ILE S 192 ? 0.7683 0.5679 0.5637 0.0056 -0.0188 -0.0047 192 ILE a O +26132 O O B ILE S 192 ? 0.7691 0.5690 0.5648 0.0055 -0.0189 -0.0047 192 ILE a O +26133 C CB A ILE S 192 ? 0.8156 0.6259 0.6201 0.0099 -0.0161 -0.0011 192 ILE a CB +26134 C CB B ILE S 192 ? 0.8176 0.6279 0.6221 0.0099 -0.0161 -0.0011 192 ILE a CB +26135 C CG1 A ILE S 192 ? 0.7446 0.5586 0.5502 0.0096 -0.0164 -0.0014 192 ILE a CG1 +26136 C CG1 B ILE S 192 ? 0.7445 0.5586 0.5503 0.0094 -0.0164 -0.0014 192 ILE a CG1 +26137 C CG2 A ILE S 192 ? 0.7165 0.5305 0.5264 0.0072 -0.0166 -0.0001 192 ILE a CG2 +26138 C CG2 B ILE S 192 ? 0.7168 0.5307 0.5267 0.0072 -0.0166 -0.0001 192 ILE a CG2 +26139 C CD1 A ILE S 192 ? 0.6695 0.4915 0.4805 0.0108 -0.0154 0.0000 192 ILE a CD1 +26140 C CD1 B ILE S 192 ? 0.6692 0.4909 0.4800 0.0109 -0.0154 0.0000 192 ILE a CD1 +26141 N N A LEU S 193 ? 0.7557 0.5550 0.5552 0.0021 -0.0192 -0.0038 193 LEU a N +26142 N N B LEU S 193 ? 0.7561 0.5554 0.5556 0.0020 -0.0192 -0.0038 193 LEU a N +26143 C CA A LEU S 193 ? 0.7797 0.5781 0.5792 -0.0016 -0.0208 -0.0050 193 LEU a CA +26144 C CA B LEU S 193 ? 0.7801 0.5786 0.5797 -0.0017 -0.0208 -0.0050 193 LEU a CA +26145 C C A LEU S 193 ? 0.8251 0.6161 0.6179 -0.0016 -0.0214 -0.0068 193 LEU a C +26146 C C B LEU S 193 ? 0.8267 0.6177 0.6195 -0.0017 -0.0215 -0.0068 193 LEU a C +26147 O O A LEU S 193 ? 0.7792 0.5702 0.5713 -0.0033 -0.0227 -0.0080 193 LEU a O +26148 O O B LEU S 193 ? 0.7800 0.5711 0.5722 -0.0034 -0.0228 -0.0080 193 LEU a O +26149 C CB A LEU S 193 ? 0.7255 0.5239 0.5279 -0.0052 -0.0213 -0.0048 193 LEU a CB +26150 C CB B LEU S 193 ? 0.7246 0.5232 0.5272 -0.0053 -0.0214 -0.0048 193 LEU a CB +26151 C CG A LEU S 193 ? 0.8015 0.6077 0.6110 -0.0060 -0.0211 -0.0033 193 LEU a CG +26152 C CG B LEU S 193 ? 0.8037 0.6100 0.6133 -0.0061 -0.0211 -0.0034 193 LEU a CG +26153 C CD1 A LEU S 193 ? 0.6693 0.4749 0.4811 -0.0091 -0.0213 -0.0031 193 LEU a CD1 +26154 C CD1 B LEU S 193 ? 0.6676 0.4734 0.4796 -0.0094 -0.0214 -0.0032 193 LEU a CD1 +26155 C CD2 A LEU S 193 ? 0.6864 0.4985 0.4995 -0.0071 -0.0221 -0.0035 193 LEU a CD2 +26156 C CD2 B LEU S 193 ? 0.6852 0.4976 0.4984 -0.0070 -0.0220 -0.0034 193 LEU a CD2 +26157 N N A MET S 194 ? 0.7927 0.5772 0.5803 0.0004 -0.0206 -0.0071 194 MET a N +26158 N N B MET S 194 ? 0.7924 0.5769 0.5801 0.0003 -0.0207 -0.0071 194 MET a N +26159 C CA A MET S 194 ? 0.8426 0.6194 0.6234 0.0007 -0.0211 -0.0088 194 MET a CA +26160 C CA B MET S 194 ? 0.8436 0.6204 0.6244 0.0006 -0.0211 -0.0088 194 MET a CA +26161 C C A MET S 194 ? 0.8389 0.6154 0.6163 0.0045 -0.0204 -0.0091 194 MET a C +26162 C C B MET S 194 ? 0.8394 0.6160 0.6169 0.0043 -0.0205 -0.0091 194 MET a C +26163 O O A MET S 194 ? 0.8072 0.5770 0.5783 0.0056 -0.0205 -0.0104 194 MET a O +26164 O O B MET S 194 ? 0.8086 0.5785 0.5798 0.0053 -0.0206 -0.0105 194 MET a O +26165 C CB A MET S 194 ? 0.8095 0.5787 0.5858 0.0010 -0.0205 -0.0089 194 MET a CB +26166 C CB B MET S 194 ? 0.8089 0.5781 0.5852 0.0009 -0.0206 -0.0090 194 MET a CB +26167 C CG A MET S 194 ? 0.7942 0.5619 0.5724 -0.0032 -0.0212 -0.0091 194 MET a CG +26168 C CG B MET S 194 ? 0.7943 0.5619 0.5724 -0.0033 -0.0212 -0.0091 194 MET a CG +26169 S SD A MET S 194 ? 0.8621 0.6275 0.6394 -0.0079 -0.0231 -0.0112 194 MET a SD +26170 S SD B MET S 194 ? 0.8609 0.6264 0.6382 -0.0079 -0.0232 -0.0112 194 MET a SD +26171 C CE A MET S 194 ? 0.9514 0.7049 0.7195 -0.0074 -0.0230 -0.0128 194 MET a CE +26172 C CE B MET S 194 ? 0.9523 0.7060 0.7207 -0.0076 -0.0231 -0.0128 194 MET a CE +26173 N N A HIS S 195 ? 0.8072 0.5910 0.5887 0.0065 -0.0196 -0.0079 195 HIS a N +26174 N N B HIS S 195 ? 0.8080 0.5916 0.5894 0.0063 -0.0197 -0.0079 195 HIS a N +26175 C CA A HIS S 195 ? 0.7608 0.5445 0.5392 0.0100 -0.0187 -0.0081 195 HIS a CA +26176 C CA B HIS S 195 ? 0.7592 0.5427 0.5375 0.0099 -0.0187 -0.0082 195 HIS a CA +26177 C C A HIS S 195 ? 0.8396 0.6255 0.6181 0.0086 -0.0198 -0.0089 195 HIS a C +26178 C C B HIS S 195 ? 0.8409 0.6268 0.6194 0.0086 -0.0198 -0.0089 195 HIS a C +26179 O O A HIS S 195 ? 0.7936 0.5855 0.5774 0.0064 -0.0205 -0.0083 195 HIS a O +26180 O O B HIS S 195 ? 0.7943 0.5863 0.5781 0.0065 -0.0205 -0.0083 195 HIS a O +26181 C CB A HIS S 195 ? 0.7366 0.5262 0.5188 0.0132 -0.0170 -0.0065 195 HIS a CB +26182 C CB B HIS S 195 ? 0.7340 0.5232 0.5160 0.0131 -0.0170 -0.0065 195 HIS a CB +26183 C CG A HIS S 195 ? 0.8021 0.5910 0.5808 0.0171 -0.0156 -0.0067 195 HIS a CG +26184 C CG B HIS S 195 ? 0.8031 0.5919 0.5819 0.0170 -0.0157 -0.0067 195 HIS a CG +26185 N ND1 A HIS S 195 ? 0.7974 0.5876 0.5747 0.0174 -0.0157 -0.0073 195 HIS a ND1 +26186 N ND1 B HIS S 195 ? 0.7967 0.5871 0.5743 0.0174 -0.0157 -0.0072 195 HIS a ND1 +26187 C CD2 A HIS S 195 ? 0.7743 0.5614 0.5507 0.0210 -0.0141 -0.0064 195 HIS a CD2 +26188 C CD2 B HIS S 195 ? 0.7742 0.5612 0.5506 0.0209 -0.0141 -0.0064 195 HIS a CD2 +26189 C CE1 A HIS S 195 ? 0.8600 0.6493 0.6342 0.0213 -0.0142 -0.0074 195 HIS a CE1 +26190 C CE1 B HIS S 195 ? 0.8607 0.6504 0.6354 0.0212 -0.0142 -0.0073 195 HIS a CE1 +26191 N NE2 A HIS S 195 ? 0.8147 0.6023 0.5885 0.0235 -0.0131 -0.0069 195 HIS a NE2 +26192 N NE2 B HIS S 195 ? 0.8143 0.6020 0.5884 0.0234 -0.0132 -0.0068 195 HIS a NE2 +26193 N N A PRO S 196 ? 0.8856 0.6667 0.6582 0.0098 -0.0201 -0.0103 196 PRO a N +26194 N N B PRO S 196 ? 0.8884 0.6695 0.6610 0.0098 -0.0201 -0.0103 196 PRO a N +26195 C CA A PRO S 196 ? 0.8460 0.6286 0.6182 0.0082 -0.0215 -0.0113 196 PRO a CA +26196 C CA B PRO S 196 ? 0.8473 0.6298 0.6193 0.0083 -0.0215 -0.0113 196 PRO a CA +26197 C C A PRO S 196 ? 0.7380 0.5279 0.5140 0.0095 -0.0208 -0.0100 196 PRO a C +26198 C C B PRO S 196 ? 0.7362 0.5262 0.5124 0.0095 -0.0208 -0.0100 196 PRO a C +26199 O O A PRO S 196 ? 0.8091 0.6020 0.5869 0.0075 -0.0221 -0.0103 196 PRO a O +26200 O O B PRO S 196 ? 0.8105 0.6035 0.5885 0.0074 -0.0221 -0.0103 196 PRO a O +26201 C CB A PRO S 196 ? 0.8558 0.6309 0.6201 0.0097 -0.0217 -0.0130 196 PRO a CB +26202 C CB B PRO S 196 ? 0.8552 0.6304 0.6193 0.0100 -0.0216 -0.0129 196 PRO a CB +26203 C CG A PRO S 196 ? 0.9522 0.7235 0.7133 0.0131 -0.0199 -0.0127 196 PRO a CG +26204 C CG B PRO S 196 ? 0.9547 0.7260 0.7159 0.0132 -0.0198 -0.0126 196 PRO a CG +26205 C CD A PRO S 196 ? 0.8488 0.6221 0.6145 0.0121 -0.0195 -0.0114 196 PRO a CD +26206 C CD B PRO S 196 ? 0.8479 0.6210 0.6135 0.0121 -0.0195 -0.0114 196 PRO a CD +26207 N N A PHE S 197 ? 0.7728 0.5658 0.5503 0.0127 -0.0187 -0.0087 197 PHE a N +26208 N N B PHE S 197 ? 0.7736 0.5668 0.5513 0.0126 -0.0187 -0.0087 197 PHE a N +26209 C CA A PHE S 197 ? 0.7688 0.5688 0.5502 0.0136 -0.0178 -0.0075 197 PHE a CA +26210 C CA B PHE S 197 ? 0.7676 0.5678 0.5492 0.0135 -0.0179 -0.0075 197 PHE a CA +26211 C C A PHE S 197 ? 0.8055 0.6121 0.5942 0.0110 -0.0185 -0.0062 197 PHE a C +26212 C C B PHE S 197 ? 0.8071 0.6137 0.5958 0.0109 -0.0185 -0.0062 197 PHE a C +26213 O O A PHE S 197 ? 0.7500 0.5613 0.5414 0.0103 -0.0188 -0.0057 197 PHE a O +26214 O O B PHE S 197 ? 0.7507 0.5620 0.5421 0.0101 -0.0189 -0.0058 197 PHE a O +26215 C CB A PHE S 197 ? 0.7706 0.5725 0.5520 0.0176 -0.0154 -0.0065 197 PHE a CB +26216 C CB B PHE S 197 ? 0.7685 0.5707 0.5502 0.0175 -0.0154 -0.0065 197 PHE a CB +26217 C CG A PHE S 197 ? 0.8486 0.6461 0.6235 0.0206 -0.0144 -0.0075 197 PHE a CG +26218 C CG B PHE S 197 ? 0.8484 0.6462 0.6236 0.0205 -0.0145 -0.0075 197 PHE a CG +26219 C CD1 A PHE S 197 ? 0.8374 0.6289 0.6065 0.0196 -0.0159 -0.0092 197 PHE a CD1 +26220 C CD1 B PHE S 197 ? 0.8375 0.6289 0.6067 0.0196 -0.0159 -0.0092 197 PHE a CD1 +26221 C CD2 A PHE S 197 ? 0.8814 0.6810 0.6562 0.0242 -0.0121 -0.0068 197 PHE a CD2 +26222 C CD2 B PHE S 197 ? 0.8817 0.6817 0.6568 0.0241 -0.0121 -0.0067 197 PHE a CD2 +26223 C CE1 A PHE S 197 ? 0.8705 0.6578 0.6334 0.0223 -0.0150 -0.0102 197 PHE a CE1 +26224 C CE1 B PHE S 197 ? 0.8692 0.6564 0.6322 0.0223 -0.0150 -0.0102 197 PHE a CE1 +26225 C CE2 A PHE S 197 ? 0.8979 0.6934 0.6666 0.0270 -0.0111 -0.0078 197 PHE a CE2 +26226 C CE2 B PHE S 197 ? 0.8969 0.6929 0.6659 0.0269 -0.0111 -0.0077 197 PHE a CE2 +26227 C CZ A PHE S 197 ? 0.8751 0.6643 0.6376 0.0261 -0.0125 -0.0095 197 PHE a CZ +26228 C CZ B PHE S 197 ? 0.8747 0.6641 0.6375 0.0260 -0.0125 -0.0094 197 PHE a CZ +26229 N N A HIS S 198 ? 0.7878 0.5945 0.5795 0.0096 -0.0187 -0.0057 198 HIS a N +26230 N N B HIS S 198 ? 0.7888 0.5955 0.5805 0.0095 -0.0187 -0.0057 198 HIS a N +26231 C CA A HIS S 198 ? 0.7583 0.5704 0.5564 0.0068 -0.0195 -0.0048 198 HIS a CA +26232 C CA B HIS S 198 ? 0.7585 0.5707 0.5566 0.0067 -0.0195 -0.0048 198 HIS a CA +26233 C C A HIS S 198 ? 0.7713 0.5825 0.5692 0.0033 -0.0217 -0.0060 198 HIS a C +26234 C C B HIS S 198 ? 0.7724 0.5836 0.5704 0.0033 -0.0217 -0.0060 198 HIS a C +26235 O O A HIS S 198 ? 0.7715 0.5877 0.5737 0.0016 -0.0225 -0.0055 198 HIS a O +26236 O O B HIS S 198 ? 0.7740 0.5903 0.5764 0.0015 -0.0226 -0.0055 198 HIS a O +26237 C CB A HIS S 198 ? 0.6987 0.5109 0.4996 0.0062 -0.0191 -0.0040 198 HIS a CB +26238 C CB B HIS S 198 ? 0.6976 0.5099 0.4985 0.0061 -0.0191 -0.0040 198 HIS a CB +26239 C CG A HIS S 198 ? 0.7395 0.5569 0.5466 0.0033 -0.0198 -0.0032 198 HIS a CG +26240 C CG B HIS S 198 ? 0.7409 0.5584 0.5481 0.0033 -0.0198 -0.0032 198 HIS a CG +26241 N ND1 A HIS S 198 ? 0.6787 0.4943 0.4866 -0.0002 -0.0213 -0.0039 198 HIS a ND1 +26242 N ND1 B HIS S 198 ? 0.6790 0.4950 0.4871 -0.0002 -0.0214 -0.0039 198 HIS a ND1 +26243 C CD2 A HIS S 198 ? 0.6395 0.4637 0.4523 0.0033 -0.0192 -0.0017 198 HIS a CD2 +26244 C CD2 B HIS S 198 ? 0.6377 0.4620 0.4505 0.0034 -0.0192 -0.0017 198 HIS a CD2 +26245 C CE1 A HIS S 198 ? 0.6979 0.5192 0.5117 -0.0020 -0.0216 -0.0029 198 HIS a CE1 +26246 C CE1 B HIS S 198 ? 0.6987 0.5204 0.5128 -0.0020 -0.0216 -0.0029 198 HIS a CE1 +26247 N NE2 A HIS S 198 ? 0.7178 0.5442 0.5346 0.0001 -0.0204 -0.0016 198 HIS a NE2 +26248 N NE2 B HIS S 198 ? 0.7187 0.5454 0.5357 0.0002 -0.0204 -0.0015 198 HIS a NE2 +26249 N N . GLN S 199 ? 0.7140 0.5185 0.5069 0.0023 -0.0228 -0.0077 199 GLN a N +26250 C CA . GLN S 199 ? 0.8408 0.6442 0.6333 -0.0009 -0.0250 -0.0091 199 GLN a CA +26251 C C . GLN S 199 ? 0.7832 0.5890 0.5748 -0.0003 -0.0258 -0.0094 199 GLN a C +26252 O O . GLN S 199 ? 0.7950 0.6040 0.5895 -0.0027 -0.0274 -0.0097 199 GLN a O +26253 C CB . GLN S 199 ? 0.7806 0.5761 0.5675 -0.0019 -0.0258 -0.0109 199 GLN a CB +26254 C CG . GLN S 199 ? 0.7713 0.5639 0.5589 -0.0030 -0.0253 -0.0106 199 GLN a CG +26255 C CD . GLN S 199 ? 0.8973 0.6813 0.6783 -0.0029 -0.0255 -0.0121 199 GLN a CD +26256 O OE1 . GLN S 199 ? 0.8500 0.6299 0.6260 -0.0025 -0.0263 -0.0136 199 GLN a OE1 +26257 N NE2 . GLN S 199 ? 0.8718 0.6524 0.6524 -0.0033 -0.0247 -0.0117 199 GLN a NE2 +26258 N N . LEU S 200 ? 0.7647 0.5689 0.5522 0.0029 -0.0245 -0.0094 200 LEU a N +26259 C CA . LEU S 200 ? 0.7907 0.5972 0.5772 0.0037 -0.0250 -0.0094 200 LEU a CA +26260 C C . LEU S 200 ? 0.8314 0.6455 0.6240 0.0036 -0.0244 -0.0077 200 LEU a C +26261 O O . LEU S 200 ? 0.7887 0.6056 0.5823 0.0027 -0.0256 -0.0077 200 LEU a O +26262 C CB . LEU S 200 ? 0.7687 0.5717 0.5492 0.0073 -0.0234 -0.0097 200 LEU a CB +26263 C CG . LEU S 200 ? 0.9525 0.7478 0.7259 0.0074 -0.0244 -0.0118 200 LEU a CG +26264 C CD1 . LEU S 200 ? 0.8515 0.6431 0.6194 0.0113 -0.0224 -0.0119 200 LEU a CD1 +26265 C CD2 . LEU S 200 ? 0.8760 0.6705 0.6474 0.0056 -0.0269 -0.0131 200 LEU a CD2 +26266 N N . GLY S 201 ? 0.7847 0.6020 0.5812 0.0046 -0.0226 -0.0062 201 GLY a N +26267 C CA . GLY S 201 ? 0.6784 0.5027 0.4810 0.0042 -0.0221 -0.0045 201 GLY a CA +26268 C C . GLY S 201 ? 0.6986 0.5258 0.5056 0.0008 -0.0241 -0.0046 201 GLY a C +26269 O O . GLY S 201 ? 0.7636 0.5952 0.5735 0.0001 -0.0246 -0.0040 201 GLY a O +26270 N N . VAL S 202 ? 0.7206 0.5452 0.5281 -0.0015 -0.0251 -0.0054 202 VAL a N +26271 C CA . VAL S 202 ? 0.7299 0.5571 0.5415 -0.0048 -0.0269 -0.0058 202 VAL a CA +26272 C C . VAL S 202 ? 0.7974 0.6244 0.6072 -0.0058 -0.0290 -0.0070 202 VAL a C +26273 O O . VAL S 202 ? 0.7638 0.5955 0.5774 -0.0071 -0.0300 -0.0066 202 VAL a O +26274 C CB . VAL S 202 ? 0.6861 0.5099 0.4978 -0.0071 -0.0275 -0.0066 202 VAL a CB +26275 C CG1 . VAL S 202 ? 0.7078 0.5339 0.5232 -0.0107 -0.0295 -0.0073 202 VAL a CG1 +26276 C CG2 . VAL S 202 ? 0.6998 0.5244 0.5138 -0.0062 -0.0257 -0.0052 202 VAL a CG2 +26277 N N A ALA S 203 ? 0.7939 0.6154 0.5976 -0.0052 -0.0297 -0.0085 203 ALA a N +26278 N N B ALA S 203 ? 0.7953 0.6168 0.5990 -0.0051 -0.0296 -0.0085 203 ALA a N +26279 C CA A ALA S 203 ? 0.8053 0.6261 0.6063 -0.0056 -0.0316 -0.0097 203 ALA a CA +26280 C CA B ALA S 203 ? 0.8056 0.6265 0.6067 -0.0057 -0.0316 -0.0097 203 ALA a CA +26281 C C A ALA S 203 ? 0.7683 0.5935 0.5703 -0.0039 -0.0311 -0.0085 203 ALA a C +26282 C C B ALA S 203 ? 0.7684 0.5937 0.5706 -0.0040 -0.0311 -0.0085 203 ALA a C +26283 O O A ALA S 203 ? 0.7781 0.6059 0.5815 -0.0050 -0.0328 -0.0088 203 ALA a O +26284 O O B ALA S 203 ? 0.7795 0.6073 0.5830 -0.0051 -0.0329 -0.0088 203 ALA a O +26285 C CB A ALA S 203 ? 0.7795 0.5934 0.5731 -0.0045 -0.0319 -0.0114 203 ALA a CB +26286 C CB B ALA S 203 ? 0.7786 0.5926 0.5724 -0.0046 -0.0320 -0.0114 203 ALA a CB +26287 N N A GLY S 204 ? 0.7624 0.5885 0.5638 -0.0011 -0.0286 -0.0071 204 GLY a N +26288 N N B GLY S 204 ? 0.7633 0.5894 0.5649 -0.0012 -0.0287 -0.0071 204 GLY a N +26289 C CA A GLY S 204 ? 0.6759 0.5060 0.4785 0.0004 -0.0277 -0.0058 204 GLY a CA +26290 C CA B GLY S 204 ? 0.6727 0.5030 0.4755 0.0003 -0.0279 -0.0058 204 GLY a CA +26291 C C A GLY S 204 ? 0.7561 0.5923 0.5652 -0.0014 -0.0284 -0.0047 204 GLY a C +26292 C C B GLY S 204 ? 0.7581 0.5943 0.5673 -0.0015 -0.0285 -0.0047 204 GLY a C +26293 O O A GLY S 204 ? 0.6981 0.5365 0.5075 -0.0017 -0.0295 -0.0045 204 GLY a O +26294 O O B GLY S 204 ? 0.6959 0.5343 0.5055 -0.0019 -0.0298 -0.0047 204 GLY a O +26295 N N A VAL S 205 ? 0.7031 0.5419 0.5173 -0.0026 -0.0277 -0.0038 205 VAL a N +26296 N N B VAL S 205 ? 0.7034 0.5423 0.5177 -0.0026 -0.0278 -0.0038 205 VAL a N +26297 C CA A VAL S 205 ? 0.7017 0.5463 0.5220 -0.0039 -0.0280 -0.0027 205 VAL a CA +26298 C CA B VAL S 205 ? 0.7017 0.5464 0.5221 -0.0040 -0.0281 -0.0027 205 VAL a CA +26299 C C A VAL S 205 ? 0.7258 0.5713 0.5484 -0.0069 -0.0306 -0.0038 205 VAL a C +26300 C C B VAL S 205 ? 0.7266 0.5722 0.5493 -0.0069 -0.0307 -0.0038 205 VAL a C +26301 O O A VAL S 205 ? 0.7448 0.5941 0.5703 -0.0076 -0.0317 -0.0034 205 VAL a O +26302 O O B VAL S 205 ? 0.7464 0.5958 0.5719 -0.0076 -0.0317 -0.0034 205 VAL a O +26303 C CB A VAL S 205 ? 0.7362 0.5838 0.5611 -0.0037 -0.0262 -0.0012 205 VAL a CB +26304 C CB B VAL S 205 ? 0.7372 0.5848 0.5622 -0.0038 -0.0262 -0.0012 205 VAL a CB +26305 C CG1 A VAL S 205 ? 0.7032 0.5507 0.5264 -0.0008 -0.0236 -0.0001 205 VAL a CG1 +26306 C CG1 B VAL S 205 ? 0.7034 0.5511 0.5267 -0.0008 -0.0237 -0.0001 205 VAL a CG1 +26307 C CG2 A VAL S 205 ? 0.7582 0.6037 0.5843 -0.0054 -0.0265 -0.0018 205 VAL a CG2 +26308 C CG2 B VAL S 205 ? 0.7632 0.6082 0.5886 -0.0052 -0.0265 -0.0019 205 VAL a CG2 +26309 N N A PHE S 206 ? 0.6674 0.5093 0.4888 -0.0086 -0.0317 -0.0053 206 PHE a N +26310 N N B PHE S 206 ? 0.6655 0.5076 0.4870 -0.0086 -0.0318 -0.0053 206 PHE a N +26311 C CA A PHE S 206 ? 0.7205 0.5631 0.5436 -0.0114 -0.0343 -0.0067 206 PHE a CA +26312 C CA B PHE S 206 ? 0.7207 0.5633 0.5438 -0.0114 -0.0343 -0.0067 206 PHE a CA +26313 C C A PHE S 206 ? 0.7160 0.5580 0.5359 -0.0109 -0.0362 -0.0076 206 PHE a C +26314 C C B PHE S 206 ? 0.7158 0.5579 0.5357 -0.0109 -0.0362 -0.0076 206 PHE a C +26315 O O A PHE S 206 ? 0.7160 0.5615 0.5389 -0.0122 -0.0380 -0.0079 206 PHE a O +26316 O O B PHE S 206 ? 0.7168 0.5622 0.5395 -0.0121 -0.0380 -0.0079 206 PHE a O +26317 C CB A PHE S 206 ? 0.6968 0.5348 0.5181 -0.0133 -0.0350 -0.0083 206 PHE a CB +26318 C CB B PHE S 206 ? 0.6956 0.5337 0.5169 -0.0132 -0.0350 -0.0082 206 PHE a CB +26319 C CG A PHE S 206 ? 0.7393 0.5786 0.5650 -0.0151 -0.0342 -0.0077 206 PHE a CG +26320 C CG B PHE S 206 ? 0.7386 0.5781 0.5645 -0.0151 -0.0342 -0.0077 206 PHE a CG +26321 C CD1 A PHE S 206 ? 0.7405 0.5849 0.5715 -0.0150 -0.0330 -0.0060 206 PHE a CD1 +26322 C CD1 B PHE S 206 ? 0.7411 0.5858 0.5723 -0.0150 -0.0331 -0.0060 206 PHE a CD1 +26323 C CD2 A PHE S 206 ? 0.7557 0.5906 0.5797 -0.0169 -0.0345 -0.0090 206 PHE a CD2 +26324 C CD2 B PHE S 206 ? 0.7569 0.5922 0.5813 -0.0170 -0.0346 -0.0090 206 PHE a CD2 +26325 C CE1 A PHE S 206 ? 0.7636 0.6089 0.5982 -0.0167 -0.0323 -0.0055 206 PHE a CE1 +26326 C CE1 B PHE S 206 ? 0.7619 0.6077 0.5969 -0.0167 -0.0324 -0.0055 206 PHE a CE1 +26327 C CE2 A PHE S 206 ? 0.8053 0.6408 0.6328 -0.0186 -0.0337 -0.0085 206 PHE a CE2 +26328 C CE2 B PHE S 206 ? 0.8085 0.6447 0.6366 -0.0188 -0.0337 -0.0084 206 PHE a CE2 +26329 C CZ A PHE S 206 ? 0.8368 0.6775 0.6695 -0.0185 -0.0326 -0.0068 206 PHE a CZ +26330 C CZ B PHE S 206 ? 0.8397 0.6813 0.6731 -0.0185 -0.0327 -0.0067 206 PHE a CZ +26331 N N A GLY S 207 ? 0.6997 0.5373 0.5134 -0.0089 -0.0358 -0.0082 207 GLY a N +26332 N N B GLY S 207 ? 0.6999 0.5375 0.5135 -0.0088 -0.0358 -0.0082 207 GLY a N +26333 C CA A GLY S 207 ? 0.7022 0.5388 0.5121 -0.0082 -0.0375 -0.0091 207 GLY a CA +26334 C CA B GLY S 207 ? 0.7000 0.5365 0.5098 -0.0080 -0.0375 -0.0091 207 GLY a CA +26335 C C A GLY S 207 ? 0.7587 0.5992 0.5699 -0.0066 -0.0370 -0.0075 207 GLY a C +26336 C C B GLY S 207 ? 0.7609 0.6016 0.5721 -0.0066 -0.0370 -0.0075 207 GLY a C +26337 O O A GLY S 207 ? 0.7418 0.5841 0.5533 -0.0071 -0.0390 -0.0080 207 GLY a O +26338 O O B GLY S 207 ? 0.7419 0.5841 0.5532 -0.0070 -0.0390 -0.0079 207 GLY a O +26339 N N A GLY S 208 ? 0.7476 0.5898 0.5599 -0.0049 -0.0343 -0.0057 208 GLY a N +26340 N N B GLY S 208 ? 0.7494 0.5917 0.5618 -0.0048 -0.0342 -0.0057 208 GLY a N +26341 C CA A GLY S 208 ? 0.6641 0.5103 0.4783 -0.0037 -0.0335 -0.0041 208 GLY a CA +26342 C CA B GLY S 208 ? 0.6615 0.5079 0.4759 -0.0037 -0.0335 -0.0040 208 GLY a CA +26343 C C A GLY S 208 ? 0.7717 0.6227 0.5917 -0.0057 -0.0351 -0.0037 208 GLY a C +26344 C C B GLY S 208 ? 0.7735 0.6246 0.5936 -0.0058 -0.0351 -0.0037 208 GLY a C +26345 O O A GLY S 208 ? 0.7449 0.5976 0.5647 -0.0054 -0.0363 -0.0035 208 GLY a O +26346 O O B GLY S 208 ? 0.7450 0.5980 0.5650 -0.0054 -0.0362 -0.0034 208 GLY a O +26347 N N A ALA S 209 ? 0.6969 0.5498 0.5218 -0.0077 -0.0352 -0.0038 209 ALA a N +26348 N N B ALA S 209 ? 0.6959 0.5487 0.5207 -0.0078 -0.0353 -0.0039 209 ALA a N +26349 C CA A ALA S 209 ? 0.7452 0.6027 0.5757 -0.0097 -0.0366 -0.0036 209 ALA a CA +26350 C CA B ALA S 209 ? 0.7467 0.6042 0.5772 -0.0097 -0.0367 -0.0036 209 ALA a CA +26351 C C A ALA S 209 ? 0.7336 0.5907 0.5632 -0.0110 -0.0397 -0.0053 209 ALA a C +26352 C C B ALA S 209 ? 0.7345 0.5916 0.5641 -0.0111 -0.0398 -0.0054 209 ALA a C +26353 O O A ALA S 209 ? 0.7173 0.5778 0.5493 -0.0112 -0.0411 -0.0051 209 ALA a O +26354 O O B ALA S 209 ? 0.7194 0.5798 0.5513 -0.0113 -0.0412 -0.0052 209 ALA a O +26355 C CB A ALA S 209 ? 0.6856 0.5447 0.5210 -0.0116 -0.0359 -0.0034 209 ALA a CB +26356 C CB B ALA S 209 ? 0.6852 0.5444 0.5206 -0.0116 -0.0360 -0.0034 209 ALA a CB +26357 N N A LEU S 210 ? 0.7117 0.5648 0.5382 -0.0119 -0.0409 -0.0072 210 LEU a N +26358 N N B LEU S 210 ? 0.7123 0.5654 0.5388 -0.0120 -0.0410 -0.0073 210 LEU a N +26359 C CA A LEU S 210 ? 0.8195 0.6721 0.6448 -0.0131 -0.0441 -0.0091 210 LEU a CA +26360 C CA B LEU S 210 ? 0.8231 0.6757 0.6484 -0.0132 -0.0442 -0.0092 210 LEU a CA +26361 C C A LEU S 210 ? 0.7329 0.5850 0.5542 -0.0111 -0.0451 -0.0090 210 LEU a C +26362 C C B LEU S 210 ? 0.7319 0.5841 0.5533 -0.0112 -0.0452 -0.0091 210 LEU a C +26363 O O A LEU S 210 ? 0.7446 0.5995 0.5676 -0.0115 -0.0473 -0.0094 210 LEU a O +26364 O O B LEU S 210 ? 0.7447 0.5997 0.5679 -0.0117 -0.0474 -0.0095 210 LEU a O +26365 C CB A LEU S 210 ? 0.7818 0.6293 0.6034 -0.0142 -0.0448 -0.0111 210 LEU a CB +26366 C CB B LEU S 210 ? 0.7819 0.6293 0.6034 -0.0143 -0.0450 -0.0112 210 LEU a CB +26367 C CG A LEU S 210 ? 0.8435 0.6900 0.6647 -0.0165 -0.0480 -0.0136 210 LEU a CG +26368 C CG B LEU S 210 ? 0.8458 0.6926 0.6674 -0.0166 -0.0481 -0.0136 210 LEU a CG +26369 C CD1 A LEU S 210 ? 0.8051 0.6457 0.6221 -0.0173 -0.0479 -0.0152 210 LEU a CD1 +26370 C CD1 B LEU S 210 ? 0.8024 0.6435 0.6200 -0.0176 -0.0482 -0.0153 210 LEU a CD1 +26371 C CD2 A LEU S 210 ? 0.7709 0.6175 0.5891 -0.0154 -0.0504 -0.0144 210 LEU a CD2 +26372 C CD2 B LEU S 210 ? 0.7676 0.6147 0.5865 -0.0157 -0.0507 -0.0145 210 LEU a CD2 +26373 N N A PHE S 211 ? 0.7651 0.6137 0.5808 -0.0087 -0.0435 -0.0084 211 PHE a N +26374 N N B PHE S 211 ? 0.7658 0.6145 0.5817 -0.0088 -0.0436 -0.0085 211 PHE a N +26375 C CA A PHE S 211 ? 0.8344 0.6818 0.6454 -0.0067 -0.0444 -0.0084 211 PHE a CA +26376 C CA B PHE S 211 ? 0.8360 0.6836 0.6473 -0.0068 -0.0444 -0.0084 211 PHE a CA +26377 C C A PHE S 211 ? 0.8643 0.7160 0.6784 -0.0058 -0.0437 -0.0065 211 PHE a C +26378 C C B PHE S 211 ? 0.8672 0.7191 0.6816 -0.0060 -0.0438 -0.0065 211 PHE a C +26379 O O A PHE S 211 ? 0.7884 0.6405 0.6005 -0.0050 -0.0454 -0.0065 211 PHE a O +26380 O O B PHE S 211 ? 0.7867 0.6392 0.5993 -0.0052 -0.0455 -0.0066 211 PHE a O +26381 C CB A PHE S 211 ? 0.7489 0.5914 0.5531 -0.0044 -0.0426 -0.0083 211 PHE a CB +26382 C CB B PHE S 211 ? 0.7460 0.5887 0.5506 -0.0044 -0.0426 -0.0082 211 PHE a CB +26383 C CG A PHE S 211 ? 0.8408 0.6784 0.6413 -0.0051 -0.0435 -0.0103 211 PHE a CG +26384 C CG B PHE S 211 ? 0.8406 0.6784 0.6413 -0.0051 -0.0434 -0.0102 211 PHE a CG +26385 C CD1 A PHE S 211 ? 0.8592 0.6959 0.6594 -0.0070 -0.0467 -0.0124 211 PHE a CD1 +26386 C CD1 B PHE S 211 ? 0.8583 0.6952 0.6588 -0.0070 -0.0465 -0.0123 211 PHE a CD1 +26387 C CD2 A PHE S 211 ? 0.8627 0.6967 0.6601 -0.0039 -0.0411 -0.0101 211 PHE a CD2 +26388 C CD2 B PHE S 211 ? 0.8652 0.6994 0.6626 -0.0037 -0.0410 -0.0100 211 PHE a CD2 +26389 C CE1 A PHE S 211 ? 0.8461 0.6781 0.6429 -0.0079 -0.0474 -0.0143 211 PHE a CE1 +26390 C CE1 B PHE S 211 ? 0.8442 0.6763 0.6411 -0.0078 -0.0472 -0.0142 211 PHE a CE1 +26391 C CE2 A PHE S 211 ? 0.7550 0.5842 0.5489 -0.0046 -0.0419 -0.0120 211 PHE a CE2 +26392 C CE2 B PHE S 211 ? 0.7518 0.5810 0.5454 -0.0043 -0.0417 -0.0118 211 PHE a CE2 +26393 C CZ A PHE S 211 ? 0.8754 0.7034 0.6688 -0.0067 -0.0450 -0.0141 211 PHE a CZ +26394 C CZ B PHE S 211 ? 0.8748 0.7028 0.6681 -0.0064 -0.0448 -0.0139 211 PHE a CZ +26395 N N A CYS S 212 ? 0.7568 0.6115 0.5754 -0.0060 -0.0414 -0.0048 212 CYS a N +26396 N N B CYS S 212 ? 0.7547 0.6097 0.5737 -0.0062 -0.0415 -0.0048 212 CYS a N +26397 C CA A CYS S 212 ? 0.7149 0.5739 0.5371 -0.0056 -0.0408 -0.0030 212 CYS a CA +26398 C CA B CYS S 212 ? 0.7141 0.5732 0.5365 -0.0057 -0.0408 -0.0030 212 CYS a CA +26399 C C A CYS S 212 ? 0.7477 0.6100 0.5737 -0.0072 -0.0437 -0.0038 212 CYS a C +26400 C C B CYS S 212 ? 0.7488 0.6112 0.5750 -0.0072 -0.0437 -0.0038 212 CYS a C +26401 O O A CYS S 212 ? 0.7090 0.5723 0.5341 -0.0062 -0.0449 -0.0034 212 CYS a O +26402 O O B CYS S 212 ? 0.7083 0.5716 0.5333 -0.0062 -0.0449 -0.0034 212 CYS a O +26403 C CB A CYS S 212 ? 0.6756 0.5373 0.5026 -0.0059 -0.0381 -0.0015 212 CYS a CB +26404 C CB B CYS S 212 ? 0.6739 0.5358 0.5011 -0.0060 -0.0381 -0.0014 212 CYS a CB +26405 S SG A CYS S 212 ? 0.7162 0.5828 0.5475 -0.0055 -0.0370 0.0007 212 CYS a SG +26406 S SG B CYS S 212 ? 0.7161 0.5827 0.5473 -0.0054 -0.0369 0.0008 212 CYS a SG +26407 N N A ALA S 213 ? 0.7516 0.6154 0.5818 -0.0095 -0.0448 -0.0050 213 ALA a N +26408 N N B ALA S 213 ? 0.7536 0.6177 0.5842 -0.0096 -0.0448 -0.0049 213 ALA a N +26409 C CA A ALA S 213 ? 0.7390 0.6064 0.5735 -0.0111 -0.0474 -0.0058 213 ALA a CA +26410 C CA B ALA S 213 ? 0.7380 0.6056 0.5726 -0.0111 -0.0475 -0.0058 213 ALA a CA +26411 C C A ALA S 213 ? 0.7549 0.6205 0.5853 -0.0106 -0.0505 -0.0075 213 ALA a C +26412 C C B ALA S 213 ? 0.7543 0.6200 0.5848 -0.0106 -0.0505 -0.0075 213 ALA a C +26413 O O A ALA S 213 ? 0.8127 0.6809 0.6445 -0.0104 -0.0525 -0.0076 213 ALA a O +26414 O O B ALA S 213 ? 0.8158 0.6840 0.6476 -0.0104 -0.0526 -0.0076 213 ALA a O +26415 C CB A ALA S 213 ? 0.6787 0.5478 0.5182 -0.0138 -0.0478 -0.0068 213 ALA a CB +26416 C CB B ALA S 213 ? 0.6792 0.5486 0.5189 -0.0138 -0.0478 -0.0068 213 ALA a CB +26417 N N A MET S 214 ? 0.7705 0.6314 0.5956 -0.0104 -0.0509 -0.0088 214 MET a N +26418 N N B MET S 214 ? 0.7702 0.6312 0.5955 -0.0104 -0.0509 -0.0088 214 MET a N +26419 C CA A MET S 214 ? 0.7758 0.6345 0.5967 -0.0100 -0.0539 -0.0107 214 MET a CA +26420 C CA B MET S 214 ? 0.7742 0.6330 0.5951 -0.0100 -0.0539 -0.0106 214 MET a CA +26421 C C A MET S 214 ? 0.8173 0.6754 0.6341 -0.0074 -0.0543 -0.0096 214 MET a C +26422 C C B MET S 214 ? 0.8178 0.6761 0.6347 -0.0074 -0.0543 -0.0096 214 MET a C +26423 O O A MET S 214 ? 0.7876 0.6474 0.6045 -0.0072 -0.0570 -0.0103 214 MET a O +26424 O O B MET S 214 ? 0.7869 0.6470 0.6043 -0.0073 -0.0569 -0.0102 214 MET a O +26425 C CB A MET S 214 ? 0.8467 0.7000 0.6623 -0.0101 -0.0538 -0.0121 214 MET a CB +26426 C CB B MET S 214 ? 0.8461 0.6994 0.6616 -0.0100 -0.0537 -0.0121 214 MET a CB +26427 C CG A MET S 214 ? 1.0466 0.8979 0.8592 -0.0108 -0.0572 -0.0146 214 MET a CG +26428 C CG B MET S 214 ? 1.0488 0.9001 0.8614 -0.0108 -0.0572 -0.0146 214 MET a CG +26429 S SD A MET S 214 ? 1.0958 0.9503 0.9151 -0.0146 -0.0594 -0.0166 214 MET a SD +26430 S SD B MET S 214 ? 1.1003 0.9549 0.9196 -0.0146 -0.0594 -0.0166 214 MET a SD +26431 C CE A MET S 214 ? 1.0733 0.9271 0.8893 -0.0145 -0.0639 -0.0191 214 MET a CE +26432 C CE B MET S 214 ? 1.0747 0.9289 0.8912 -0.0147 -0.0639 -0.0191 214 MET a CE +26433 N N A HIS S 215 ? 0.7749 0.6306 0.5878 -0.0054 -0.0514 -0.0080 215 HIS a N +26434 N N B HIS S 215 ? 0.7745 0.6301 0.5872 -0.0054 -0.0516 -0.0081 215 HIS a N +26435 C CA A HIS S 215 ? 0.6983 0.5530 0.5070 -0.0030 -0.0513 -0.0068 215 HIS a CA +26436 C CA B HIS S 215 ? 0.6947 0.5494 0.5033 -0.0030 -0.0514 -0.0068 215 HIS a CA +26437 C C A HIS S 215 ? 0.8299 0.6892 0.6433 -0.0030 -0.0516 -0.0055 215 HIS a C +26438 C C B HIS S 215 ? 0.8322 0.6915 0.6455 -0.0031 -0.0518 -0.0055 215 HIS a C +26439 O O A HIS S 215 ? 0.8503 0.7097 0.6615 -0.0018 -0.0535 -0.0054 215 HIS a O +26440 O O B HIS S 215 ? 0.8526 0.7119 0.6636 -0.0018 -0.0537 -0.0055 215 HIS a O +26441 C CB A HIS S 215 ? 0.7487 0.6006 0.5535 -0.0011 -0.0477 -0.0052 215 HIS a CB +26442 C CB B HIS S 215 ? 0.7469 0.5989 0.5517 -0.0011 -0.0477 -0.0052 215 HIS a CB +26443 C CG A HIS S 215 ? 0.8289 0.6792 0.6286 0.0013 -0.0471 -0.0040 215 HIS a CG +26444 C CG B HIS S 215 ? 0.8287 0.6791 0.6286 0.0012 -0.0471 -0.0039 215 HIS a CG +26445 N ND1 A HIS S 215 ? 0.8169 0.6640 0.6105 0.0025 -0.0494 -0.0051 215 HIS a ND1 +26446 N ND1 B HIS S 215 ? 0.8143 0.6617 0.6083 0.0025 -0.0494 -0.0049 215 HIS a ND1 +26447 C CD2 A HIS S 215 ? 0.8185 0.6699 0.6184 0.0025 -0.0445 -0.0018 215 HIS a CD2 +26448 C CD2 B HIS S 215 ? 0.8187 0.6700 0.6186 0.0025 -0.0443 -0.0017 215 HIS a CD2 +26449 C CE1 A HIS S 215 ? 0.8573 0.7033 0.6472 0.0045 -0.0482 -0.0035 215 HIS a CE1 +26450 C CE1 B HIS S 215 ? 0.8565 0.7028 0.6468 0.0045 -0.0480 -0.0033 215 HIS a CE1 +26451 N NE2 A HIS S 215 ? 0.8462 0.6948 0.6399 0.0045 -0.0451 -0.0015 215 HIS a NE2 +26452 N NE2 B HIS S 215 ? 0.8481 0.6968 0.6421 0.0045 -0.0448 -0.0013 215 HIS a NE2 +26453 N N A GLY S 216 ? 0.8032 0.6662 0.6229 -0.0043 -0.0499 -0.0043 216 GLY a N +26454 N N B GLY S 216 ? 0.8045 0.6675 0.6242 -0.0044 -0.0502 -0.0045 216 GLY a N +26455 C CA A GLY S 216 ? 0.7234 0.5906 0.5476 -0.0044 -0.0503 -0.0032 216 GLY a CA +26456 C CA B GLY S 216 ? 0.7221 0.5894 0.5464 -0.0044 -0.0505 -0.0033 216 GLY a CA +26457 C C A GLY S 216 ? 0.8244 0.6941 0.6511 -0.0053 -0.0540 -0.0047 216 GLY a C +26458 C C B GLY S 216 ? 0.8259 0.6959 0.6529 -0.0054 -0.0542 -0.0048 216 GLY a C +26459 O O A GLY S 216 ? 0.8401 0.7113 0.6668 -0.0043 -0.0553 -0.0042 216 GLY a O +26460 O O B GLY S 216 ? 0.8415 0.7129 0.6684 -0.0043 -0.0555 -0.0043 216 GLY a O +26461 N N A SER S 217 ? 0.7198 0.5899 0.5486 -0.0073 -0.0557 -0.0068 217 SER a N +26462 N N B SER S 217 ? 0.7182 0.5887 0.5476 -0.0075 -0.0559 -0.0068 217 SER a N +26463 C CA A SER S 217 ? 0.8065 0.6798 0.6387 -0.0085 -0.0592 -0.0084 217 SER a CA +26464 C CA B SER S 217 ? 0.8073 0.6809 0.6399 -0.0086 -0.0594 -0.0085 217 SER a CA +26465 C C A SER S 217 ? 0.7979 0.6686 0.6244 -0.0070 -0.0622 -0.0098 217 SER a C +26466 C C B SER S 217 ? 0.7979 0.6690 0.6249 -0.0070 -0.0623 -0.0098 217 SER a C +26467 O O A SER S 217 ? 0.7714 0.6449 0.5999 -0.0069 -0.0651 -0.0106 217 SER a O +26468 O O B SER S 217 ? 0.7677 0.6415 0.5964 -0.0068 -0.0651 -0.0105 217 SER a O +26469 C CB A SER S 217 ? 0.7135 0.5883 0.5502 -0.0114 -0.0599 -0.0102 217 SER a CB +26470 C CB B SER S 217 ? 0.7113 0.5862 0.5481 -0.0115 -0.0601 -0.0104 217 SER a CB +26471 O OG A SER S 217 ? 0.8121 0.6826 0.6442 -0.0118 -0.0606 -0.0119 217 SER a OG +26472 O OG B SER S 217 ? 0.8145 0.6848 0.6465 -0.0117 -0.0602 -0.0117 217 SER a OG +26473 N N A LEU S 218 ? 0.7576 0.6232 0.5772 -0.0058 -0.0617 -0.0101 218 LEU a N +26474 N N B LEU S 218 ? 0.7567 0.6226 0.5767 -0.0058 -0.0619 -0.0101 218 LEU a N +26475 C CA A LEU S 218 ? 0.8285 0.6914 0.6423 -0.0043 -0.0647 -0.0114 218 LEU a CA +26476 C CA B LEU S 218 ? 0.8278 0.6911 0.6420 -0.0044 -0.0648 -0.0115 218 LEU a CA +26477 C C A LEU S 218 ? 0.8083 0.6708 0.6188 -0.0017 -0.0647 -0.0098 218 LEU a C +26478 C C B LEU S 218 ? 0.8073 0.6700 0.6181 -0.0017 -0.0648 -0.0098 218 LEU a C +26479 O O A LEU S 218 ? 0.8250 0.6883 0.6344 -0.0008 -0.0678 -0.0106 218 LEU a O +26480 O O B LEU S 218 ? 0.8238 0.6874 0.6336 -0.0009 -0.0679 -0.0106 218 LEU a O +26481 C CB A LEU S 218 ? 0.8520 0.7093 0.6592 -0.0039 -0.0642 -0.0125 218 LEU a CB +26482 C CB B LEU S 218 ? 0.8515 0.7092 0.6591 -0.0040 -0.0643 -0.0125 218 LEU a CB +26483 C CG A LEU S 218 ? 0.9067 0.7635 0.7160 -0.0065 -0.0652 -0.0147 218 LEU a CG +26484 C CG B LEU S 218 ? 0.9046 0.7618 0.7144 -0.0066 -0.0651 -0.0146 218 LEU a CG +26485 C CD1 A LEU S 218 ? 1.0339 0.8848 0.8365 -0.0058 -0.0641 -0.0154 218 LEU a CD1 +26486 C CD1 B LEU S 218 ? 1.0332 0.8845 0.8363 -0.0059 -0.0641 -0.0153 218 LEU a CD1 +26487 C CD2 A LEU S 218 ? 0.8784 0.7375 0.6899 -0.0079 -0.0694 -0.0172 218 LEU a CD2 +26488 C CD2 B LEU S 218 ? 0.8776 0.7373 0.6899 -0.0081 -0.0693 -0.0171 218 LEU a CD2 +26489 N N A VAL S 219 ? 0.8722 0.7333 0.6809 -0.0004 -0.0612 -0.0074 219 VAL a N +26490 N N B VAL S 219 ? 0.8739 0.7352 0.6829 -0.0005 -0.0613 -0.0074 219 VAL a N +26491 C CA A VAL S 219 ? 0.8201 0.6807 0.6260 0.0018 -0.0607 -0.0056 219 VAL a CA +26492 C CA B VAL S 219 ? 0.8183 0.6793 0.6247 0.0017 -0.0608 -0.0056 219 VAL a CA +26493 C C A VAL S 219 ? 0.8831 0.7487 0.6951 0.0013 -0.0623 -0.0052 219 VAL a C +26494 C C B VAL S 219 ? 0.8838 0.7498 0.6963 0.0012 -0.0623 -0.0052 219 VAL a C +26495 O O A VAL S 219 ? 0.8824 0.7480 0.6922 0.0029 -0.0643 -0.0050 219 VAL a O +26496 O O B VAL S 219 ? 0.8816 0.7476 0.6920 0.0028 -0.0645 -0.0051 219 VAL a O +26497 C CB A VAL S 219 ? 0.8159 0.6747 0.6199 0.0028 -0.0564 -0.0032 219 VAL a CB +26498 C CB B VAL S 219 ? 0.8154 0.6747 0.6200 0.0027 -0.0564 -0.0032 219 VAL a CB +26499 C CG1 A VAL S 219 ? 0.7931 0.6521 0.5954 0.0046 -0.0556 -0.0011 219 VAL a CG1 +26500 C CG1 B VAL S 219 ? 0.7907 0.6500 0.5935 0.0045 -0.0557 -0.0012 219 VAL a CG1 +26501 C CG2 A VAL S 219 ? 0.8162 0.6698 0.6134 0.0038 -0.0549 -0.0036 219 VAL a CG2 +26502 C CG2 B VAL S 219 ? 0.8143 0.6683 0.6120 0.0037 -0.0550 -0.0036 219 VAL a CG2 +26503 N N A THR S 220 ? 0.8454 0.7152 0.6648 -0.0008 -0.0613 -0.0051 220 THR a N +26504 N N B THR S 220 ? 0.8461 0.7162 0.6659 -0.0008 -0.0611 -0.0049 220 THR a N +26505 C CA A THR S 220 ? 0.8970 0.7717 0.7224 -0.0012 -0.0625 -0.0047 220 THR a CA +26506 C CA B THR S 220 ? 0.8999 0.7748 0.7257 -0.0012 -0.0623 -0.0045 220 THR a CA +26507 C C A THR S 220 ? 0.8357 0.7123 0.6624 -0.0015 -0.0668 -0.0069 220 THR a C +26508 C C B THR S 220 ? 0.8347 0.7115 0.6616 -0.0014 -0.0666 -0.0067 220 THR a C +26509 O O A THR S 220 ? 0.9075 0.7866 0.7359 -0.0005 -0.0686 -0.0067 220 THR a O +26510 O O B THR S 220 ? 0.9111 0.7903 0.7396 -0.0004 -0.0684 -0.0064 220 THR a O +26511 C CB A THR S 220 ? 0.8630 0.7414 0.6958 -0.0035 -0.0604 -0.0042 220 THR a CB +26512 C CB B THR S 220 ? 0.8627 0.7414 0.6959 -0.0035 -0.0603 -0.0041 220 THR a CB +26513 O OG1 A THR S 220 ? 0.8476 0.7246 0.6794 -0.0030 -0.0565 -0.0021 220 THR a OG1 +26514 O OG1 B THR S 220 ? 0.8471 0.7244 0.6795 -0.0031 -0.0564 -0.0020 220 THR a OG1 +26515 C CG2 A THR S 220 ? 0.7982 0.6817 0.6374 -0.0040 -0.0616 -0.0040 220 THR a CG2 +26516 C CG2 B THR S 220 ? 0.7960 0.6796 0.6353 -0.0040 -0.0615 -0.0038 220 THR a CG2 +26517 N N A SER S 221 ? 0.8502 0.7260 0.6763 -0.0028 -0.0686 -0.0092 221 SER a N +26518 N N B SER S 221 ? 0.8491 0.7250 0.6753 -0.0027 -0.0684 -0.0090 221 SER a N +26519 C CA A SER S 221 ? 0.9142 0.7922 0.7420 -0.0034 -0.0728 -0.0116 221 SER a CA +26520 C CA B SER S 221 ? 0.9146 0.7930 0.7428 -0.0033 -0.0725 -0.0113 221 SER a CA +26521 C C A SER S 221 ? 0.9239 0.7995 0.7455 -0.0007 -0.0755 -0.0119 221 SER a C +26522 C C B SER S 221 ? 0.9268 0.8022 0.7482 -0.0008 -0.0753 -0.0119 221 SER a C +26523 O O A SER S 221 ? 0.8510 0.7293 0.6745 -0.0006 -0.0792 -0.0135 221 SER a O +26524 O O B SER S 221 ? 0.8644 0.7420 0.6872 -0.0009 -0.0791 -0.0138 221 SER a O +26525 C CB A SER S 221 ? 0.8705 0.7475 0.6985 -0.0056 -0.0738 -0.0140 221 SER a CB +26526 C CB B SER S 221 ? 0.8241 0.7024 0.6540 -0.0058 -0.0733 -0.0136 221 SER a CB +26527 O OG A SER S 221 ? 1.0728 0.9444 0.8927 -0.0041 -0.0747 -0.0147 221 SER a OG +26528 O OG B SER S 221 ? 1.1280 1.0012 0.9505 -0.0048 -0.0744 -0.0146 221 SER a OG +26529 N N A SER S 222 ? 0.8380 0.7087 0.6523 0.0014 -0.0739 -0.0105 222 SER a N +26530 N N B SER S 222 ? 0.8351 0.7057 0.6494 0.0014 -0.0736 -0.0103 222 SER a N +26531 C CA A SER S 222 ? 0.9689 0.8361 0.7760 0.0040 -0.0763 -0.0108 222 SER a CA +26532 C CA B SER S 222 ? 0.9707 0.8377 0.7777 0.0039 -0.0760 -0.0107 222 SER a CA +26533 C C A SER S 222 ? 0.8989 0.7643 0.7023 0.0065 -0.0746 -0.0082 222 SER a C +26534 C C B SER S 222 ? 0.8980 0.7634 0.7015 0.0064 -0.0745 -0.0082 222 SER a C +26535 O O A SER S 222 ? 0.8727 0.7336 0.6684 0.0088 -0.0753 -0.0079 222 SER a O +26536 O O B SER S 222 ? 0.8717 0.7326 0.6675 0.0087 -0.0751 -0.0078 222 SER a O +26537 C CB A SER S 222 ? 0.9564 0.8182 0.7564 0.0043 -0.0764 -0.0120 222 SER a CB +26538 C CB B SER S 222 ? 0.9575 0.8191 0.7574 0.0043 -0.0759 -0.0118 222 SER a CB +26539 O OG A SER S 222 ? 1.0132 0.8715 0.8098 0.0047 -0.0723 -0.0102 222 SER a OG +26540 O OG B SER S 222 ? 1.0235 0.8818 0.8203 0.0047 -0.0716 -0.0099 222 SER a OG +26541 N N A LEU S 223 ? 0.9069 0.7755 0.7156 0.0060 -0.0724 -0.0064 223 LEU a N +26542 N N B LEU S 223 ? 0.9066 0.7754 0.7155 0.0059 -0.0725 -0.0065 223 LEU a N +26543 C CA A LEU S 223 ? 0.9280 0.7954 0.7341 0.0081 -0.0712 -0.0041 223 LEU a CA +26544 C CA B LEU S 223 ? 0.9285 0.7961 0.7349 0.0081 -0.0714 -0.0041 223 LEU a CA +26545 C C A LEU S 223 ? 0.9330 0.8006 0.7369 0.0101 -0.0752 -0.0048 223 LEU a C +26546 C C B LEU S 223 ? 0.9342 0.8019 0.7381 0.0101 -0.0754 -0.0049 223 LEU a C +26547 O O A LEU S 223 ? 0.9481 0.8199 0.7569 0.0094 -0.0784 -0.0066 223 LEU a O +26548 O O B LEU S 223 ? 0.9494 0.8211 0.7579 0.0094 -0.0787 -0.0068 223 LEU a O +26549 C CB A LEU S 223 ? 0.8989 0.7703 0.7119 0.0070 -0.0688 -0.0024 223 LEU a CB +26550 C CB B LEU S 223 ? 0.8983 0.7700 0.7117 0.0069 -0.0690 -0.0025 223 LEU a CB +26551 C CG A LEU S 223 ? 0.9464 0.8183 0.7625 0.0051 -0.0647 -0.0014 223 LEU a CG +26552 C CG B LEU S 223 ? 0.9504 0.8223 0.7664 0.0053 -0.0648 -0.0013 223 LEU a CG +26553 C CD1 A LEU S 223 ? 0.8662 0.7421 0.6889 0.0043 -0.0629 0.0002 223 LEU a CD1 +26554 C CD1 B LEU S 223 ? 0.8641 0.7402 0.6870 0.0044 -0.0631 0.0002 223 LEU a CD1 +26555 C CD2 A LEU S 223 ? 0.8877 0.7544 0.6968 0.0064 -0.0618 0.0000 223 LEU a CD2 +26556 C CD2 B LEU S 223 ? 0.8837 0.7504 0.6926 0.0067 -0.0618 0.0003 223 LEU a CD2 +26557 N N A ILE S 224 ? 0.8281 0.6912 0.6245 0.0127 -0.0750 -0.0034 224 ILE a N +26558 N N B ILE S 224 ? 0.8244 0.6878 0.6212 0.0127 -0.0750 -0.0034 224 ILE a N +26559 C CA A ILE S 224 ? 0.9266 0.7891 0.7198 0.0150 -0.0787 -0.0039 224 ILE a CA +26560 C CA B ILE S 224 ? 0.9259 0.7886 0.7194 0.0150 -0.0787 -0.0039 224 ILE a CA +26561 C C A ILE S 224 ? 0.8947 0.7611 0.6933 0.0153 -0.0788 -0.0027 224 ILE a C +26562 C C B ILE S 224 ? 0.8942 0.7607 0.6929 0.0154 -0.0788 -0.0027 224 ILE a C +26563 O O A ILE S 224 ? 0.9325 0.7989 0.7327 0.0150 -0.0753 -0.0005 224 ILE a O +26564 O O B ILE S 224 ? 0.9326 0.7988 0.7324 0.0153 -0.0754 -0.0004 224 ILE a O +26565 C CB A ILE S 224 ? 0.9465 0.8024 0.7294 0.0177 -0.0781 -0.0027 224 ILE a CB +26566 C CB B ILE S 224 ? 0.9465 0.8024 0.7295 0.0177 -0.0781 -0.0027 224 ILE a CB +26567 C CG1 A ILE S 224 ? 0.8944 0.7466 0.6721 0.0174 -0.0782 -0.0042 224 ILE a CG1 +26568 C CG1 B ILE S 224 ? 0.8932 0.7455 0.6710 0.0174 -0.0785 -0.0043 224 ILE a CG1 +26569 C CG2 A ILE S 224 ? 0.8655 0.7203 0.6446 0.0204 -0.0818 -0.0029 224 ILE a CG2 +26570 C CG2 B ILE S 224 ? 0.8617 0.7165 0.6409 0.0204 -0.0816 -0.0027 224 ILE a CG2 +26571 C CD1 A ILE S 224 ? 0.9377 0.7839 0.7075 0.0187 -0.0747 -0.0023 224 ILE a CD1 +26572 C CD1 B ILE S 224 ? 0.9291 0.7752 0.6983 0.0190 -0.0754 -0.0026 224 ILE a CD1 +26573 N N A ARG S 225 ? 0.9281 0.7980 0.7299 0.0159 -0.0828 -0.0043 225 ARG a N +26574 N N B ARG S 225 ? 0.9273 0.7973 0.7292 0.0159 -0.0829 -0.0043 225 ARG a N +26575 C CA A ARG S 225 ? 0.9914 0.8651 0.7984 0.0163 -0.0833 -0.0034 225 ARG a CA +26576 C CA B ARG S 225 ? 0.9920 0.8658 0.7991 0.0164 -0.0834 -0.0034 225 ARG a CA +26577 C C A ARG S 225 ? 0.9343 0.8038 0.7354 0.0189 -0.0818 -0.0008 225 ARG a C +26578 C C B ARG S 225 ? 0.9322 0.8018 0.7335 0.0189 -0.0819 -0.0008 225 ARG a C +26579 O O A ARG S 225 ? 1.0384 0.9040 0.8324 0.0215 -0.0841 -0.0009 225 ARG a O +26580 O O B ARG S 225 ? 1.0410 0.9069 0.8354 0.0216 -0.0842 -0.0009 225 ARG a O +26581 C CB A ARG S 225 ? 0.9407 0.8187 0.7514 0.0168 -0.0882 -0.0058 225 ARG a CB +26582 C CB B ARG S 225 ? 0.9381 0.8162 0.7489 0.0169 -0.0883 -0.0058 225 ARG a CB +26583 C CG A ARG S 225 ? 1.0498 0.9316 0.8654 0.0178 -0.0889 -0.0050 225 ARG a CG +26584 C CG B ARG S 225 ? 1.0500 0.9321 0.8661 0.0177 -0.0890 -0.0051 225 ARG a CG +26585 C CD A ARG S 225 ? 1.0874 0.9749 0.9087 0.0177 -0.0934 -0.0077 225 ARG a CD +26586 C CD B ARG S 225 ? 1.0869 0.9745 0.9083 0.0177 -0.0936 -0.0078 225 ARG a CD +26587 N NE A ARG S 225 ? 1.2999 1.1851 1.1154 0.0198 -0.0975 -0.0094 225 ARG a NE +26588 N NE B ARG S 225 ? 1.3020 1.1873 1.1175 0.0198 -0.0976 -0.0094 225 ARG a NE +26589 C CZ A ARG S 225 ? 1.3827 1.2689 1.1985 0.0185 -0.0999 -0.0119 225 ARG a CZ +26590 C CZ B ARG S 225 ? 1.3858 1.2722 1.2018 0.0185 -0.1000 -0.0120 225 ARG a CZ +26591 N NH1 A ARG S 225 ? 1.2077 1.0970 1.0293 0.0152 -0.0987 -0.0132 225 ARG a NH1 +26592 N NH1 B ARG S 225 ? 1.2070 1.0968 1.0291 0.0152 -0.0989 -0.0133 225 ARG a NH1 +26593 N NH2 A ARG S 225 ? 1.4664 1.3501 1.2762 0.0207 -0.1037 -0.0133 225 ARG a NH2 +26594 N NH2 B ARG S 225 ? 1.4689 1.3526 1.2788 0.0206 -0.1037 -0.0134 225 ARG a NH2 +26595 N N A GLU S 226 ? 0.9433 0.8131 0.7469 0.0181 -0.0781 0.0014 226 GLU a N +26596 N N B GLU S 226 ? 0.9420 0.8119 0.7457 0.0182 -0.0781 0.0014 226 GLU a N +26597 C CA A GLU S 226 ? 0.9493 0.8154 0.7484 0.0201 -0.0763 0.0039 226 GLU a CA +26598 C CA B GLU S 226 ? 0.9478 0.8139 0.7468 0.0201 -0.0763 0.0039 226 GLU a CA +26599 C C A GLU S 226 ? 0.9282 0.7981 0.7336 0.0197 -0.0755 0.0050 226 GLU a C +26600 C C B GLU S 226 ? 0.9267 0.7966 0.7321 0.0198 -0.0755 0.0051 226 GLU a C +26601 O O A GLU S 226 ? 0.9817 0.8486 0.7839 0.0211 -0.0738 0.0072 226 GLU a O +26602 O O B GLU S 226 ? 0.9827 0.8496 0.7849 0.0211 -0.0738 0.0072 226 GLU a O +26603 C CB A GLU S 226 ? 0.9793 0.8409 0.7736 0.0197 -0.0717 0.0059 226 GLU a CB +26604 C CB B GLU S 226 ? 0.9784 0.8401 0.7729 0.0196 -0.0717 0.0059 226 GLU a CB +26605 C CG A GLU S 226 ? 1.1173 0.9747 0.9048 0.0201 -0.0719 0.0050 226 GLU a CG +26606 C CG B GLU S 226 ? 1.1185 0.9761 0.9063 0.0200 -0.0718 0.0050 226 GLU a CG +26607 C CD A GLU S 226 ? 1.1900 1.0418 0.9680 0.0232 -0.0738 0.0054 226 GLU a CD +26608 C CD B GLU S 226 ? 1.1921 1.0439 0.9702 0.0230 -0.0736 0.0054 226 GLU a CD +26609 O OE1 A GLU S 226 ? 1.1880 1.0398 0.9653 0.0250 -0.0759 0.0059 226 GLU a OE1 +26610 O OE1 B GLU S 226 ? 1.1899 1.0414 0.9669 0.0250 -0.0756 0.0060 226 GLU a OE1 +26611 O OE2 A GLU S 226 ? 1.2125 1.0597 0.9834 0.0239 -0.0731 0.0053 226 GLU a OE2 +26612 O OE2 B GLU S 226 ? 1.2183 1.0659 0.9898 0.0236 -0.0731 0.0051 226 GLU a OE2 +26613 N N A THR S 227 ? 0.9339 0.8099 0.7480 0.0178 -0.0765 0.0036 227 THR a N +26614 N N B THR S 227 ? 0.9332 0.8092 0.7473 0.0179 -0.0765 0.0036 227 THR a N +26615 C CA A THR S 227 ? 0.9331 0.8128 0.7538 0.0171 -0.0753 0.0046 227 THR a CA +26616 C CA B THR S 227 ? 0.9308 0.8104 0.7513 0.0173 -0.0754 0.0046 227 THR a CA +26617 C C A THR S 227 ? 0.9607 0.8462 0.7877 0.0171 -0.0791 0.0024 227 THR a C +26618 C C B THR S 227 ? 0.9601 0.8454 0.7869 0.0172 -0.0791 0.0025 227 THR a C +26619 O O A THR S 227 ? 0.9861 0.8732 0.8136 0.0169 -0.0821 0.0001 227 THR a O +26620 O O B THR S 227 ? 0.9874 0.8743 0.8145 0.0171 -0.0822 0.0002 227 THR a O +26621 C CB A THR S 227 ? 1.0150 0.8968 0.8409 0.0142 -0.0714 0.0053 227 THR a CB +26622 C CB B THR S 227 ? 1.0168 0.8984 0.8424 0.0144 -0.0713 0.0055 227 THR a CB +26623 O OG1 A THR S 227 ? 0.9586 0.8426 0.7873 0.0121 -0.0719 0.0033 227 THR a OG1 +26624 O OG1 B THR S 227 ? 0.9714 0.8557 0.8006 0.0122 -0.0719 0.0035 227 THR a OG1 +26625 C CG2 A THR S 227 ? 0.8995 0.7766 0.7203 0.0143 -0.0673 0.0076 227 THR a CG2 +26626 C CG2 B THR S 227 ? 0.8999 0.7766 0.7200 0.0146 -0.0674 0.0078 227 THR a CG2 +26627 N N . THR S 228 ? 0.9975 0.8859 0.8293 0.0173 -0.0788 0.0032 228 THR a N +26628 C CA . THR S 228 ? 1.0666 0.9611 0.9056 0.0171 -0.0818 0.0013 228 THR a CA +26629 C C . THR S 228 ? 1.0284 0.9278 0.8755 0.0137 -0.0799 0.0005 228 THR a C +26630 O O . THR S 228 ? 1.1043 1.0022 0.9513 0.0119 -0.0764 0.0016 228 THR a O +26631 C CB . THR S 228 ? 1.0226 0.9177 0.8625 0.0192 -0.0824 0.0024 228 THR a CB +26632 O OG1 . THR S 228 ? 1.1323 1.0272 0.9746 0.0179 -0.0785 0.0045 228 THR a OG1 +26633 C CG2 . THR S 228 ? 0.9829 0.8721 0.8137 0.0226 -0.0839 0.0035 228 THR a CG2 +26634 N N . GLU S 229 ? 1.0629 0.9682 0.9170 0.0129 -0.0821 -0.0015 229 GLU a N +26635 C CA . GLU S 229 ? 1.2317 1.1414 1.0932 0.0096 -0.0804 -0.0023 229 GLU a CA +26636 C C . GLU S 229 ? 1.0770 0.9883 0.9429 0.0087 -0.0773 -0.0005 229 GLU a C +26637 O O . GLU S 229 ? 1.2005 1.1150 1.0720 0.0061 -0.0754 -0.0009 229 GLU a O +26638 C CB . GLU S 229 ? 1.2537 1.1692 1.1213 0.0086 -0.0836 -0.0051 229 GLU a CB +26639 C CG . GLU S 229 ? 1.3320 1.2516 1.2034 0.0105 -0.0863 -0.0058 229 GLU a CG +26640 C CD . GLU S 229 ? 1.8232 1.7493 1.7019 0.0089 -0.0888 -0.0087 229 GLU a CD +26641 O OE1 . GLU S 229 ? 1.6643 1.5933 1.5484 0.0058 -0.0870 -0.0093 229 GLU a OE1 +26642 O OE2 . GLU S 229 ? 1.9675 1.8957 1.8464 0.0107 -0.0927 -0.0103 229 GLU a OE2 +26643 N N . THR S 230 ? 1.1349 1.0440 0.9982 0.0108 -0.0766 0.0013 230 THR a N +26644 C CA . THR S 230 ? 1.0860 0.9961 0.9528 0.0099 -0.0735 0.0030 230 THR a CA +26645 C C . THR S 230 ? 1.0694 0.9747 0.9319 0.0093 -0.0697 0.0053 230 THR a C +26646 O O . THR S 230 ? 1.3069 1.2123 1.1714 0.0087 -0.0671 0.0069 230 THR a O +26647 C CB . THR S 230 ? 0.9388 0.8492 0.8059 0.0123 -0.0747 0.0038 230 THR a CB +26648 O OG1 . THR S 230 ? 1.1600 1.0648 1.0190 0.0150 -0.0754 0.0051 230 THR a OG1 +26649 C CG2 . THR S 230 ? 1.1743 1.0901 1.0465 0.0130 -0.0784 0.0014 230 THR a CG2 +26650 N N . GLU S 231 ? 0.9284 0.8297 0.7851 0.0094 -0.0692 0.0055 231 GLU a N +26651 C CA . GLU S 231 ? 0.9773 0.8747 0.8304 0.0088 -0.0655 0.0075 231 GLU a CA +26652 C C . GLU S 231 ? 0.9000 0.7968 0.7524 0.0070 -0.0643 0.0067 231 GLU a C +26653 O O . GLU S 231 ? 0.8689 0.7668 0.7215 0.0067 -0.0667 0.0047 231 GLU a O +26654 C CB . GLU S 231 ? 0.9444 0.8360 0.7894 0.0113 -0.0652 0.0092 231 GLU a CB +26655 C CG . GLU S 231 ? 1.1142 1.0033 0.9535 0.0133 -0.0684 0.0081 231 GLU a CG +26656 C CD . GLU S 231 ? 1.4429 1.3266 1.2746 0.0161 -0.0686 0.0097 231 GLU a CD +26657 O OE1 . GLU S 231 ? 1.4383 1.3192 1.2680 0.0161 -0.0655 0.0119 231 GLU a OE1 +26658 O OE2 . GLU S 231 ? 1.1580 1.0402 0.9856 0.0183 -0.0720 0.0088 231 GLU a OE2 +26659 N N A SER S 232 ? 0.8249 0.7199 0.6766 0.0058 -0.0607 0.0082 232 SER a N +26660 N N B SER S 232 ? 0.8235 0.7185 0.6752 0.0058 -0.0607 0.0082 232 SER a N +26661 C CA A SER S 232 ? 0.8692 0.7631 0.7197 0.0044 -0.0593 0.0077 232 SER a CA +26662 C CA B SER S 232 ? 0.8696 0.7633 0.7199 0.0045 -0.0593 0.0077 232 SER a CA +26663 C C A SER S 232 ? 0.9067 0.7961 0.7496 0.0060 -0.0606 0.0073 232 SER a C +26664 C C B SER S 232 ? 0.9073 0.7967 0.7501 0.0061 -0.0607 0.0073 232 SER a C +26665 O O A SER S 232 ? 0.8867 0.7721 0.7238 0.0080 -0.0601 0.0087 232 SER a O +26666 O O B SER S 232 ? 0.8886 0.7740 0.7256 0.0081 -0.0604 0.0086 232 SER a O +26667 C CB A SER S 232 ? 0.8027 0.6954 0.6535 0.0032 -0.0552 0.0095 232 SER a CB +26668 C CB B SER S 232 ? 0.8015 0.6939 0.6519 0.0034 -0.0551 0.0096 232 SER a CB +26669 O OG A SER S 232 ? 0.7870 0.6777 0.6352 0.0025 -0.0539 0.0091 232 SER a OG +26670 O OG B SER S 232 ? 0.7869 0.6775 0.6350 0.0026 -0.0538 0.0093 232 SER a OG +26671 N N A ALA S 233 ? 0.8228 0.7125 0.6654 0.0052 -0.0622 0.0053 233 ALA a N +26672 N N B ALA S 233 ? 0.8211 0.7109 0.6638 0.0053 -0.0622 0.0054 233 ALA a N +26673 C CA A ALA S 233 ? 0.8731 0.7583 0.7083 0.0066 -0.0632 0.0049 233 ALA a CA +26674 C CA B ALA S 233 ? 0.8728 0.7581 0.7081 0.0066 -0.0632 0.0049 233 ALA a CA +26675 C C A ALA S 233 ? 0.9218 0.8026 0.7517 0.0071 -0.0597 0.0068 233 ALA a C +26676 C C B ALA S 233 ? 0.9234 0.8042 0.7534 0.0071 -0.0597 0.0068 233 ALA a C +26677 O O A ALA S 233 ? 0.8960 0.7724 0.7188 0.0087 -0.0601 0.0070 233 ALA a O +26678 O O B ALA S 233 ? 0.8967 0.7730 0.7194 0.0088 -0.0601 0.0071 233 ALA a O +26679 C CB A ALA S 233 ? 0.8787 0.7650 0.7150 0.0053 -0.0651 0.0025 233 ALA a CB +26680 C CB B ALA S 233 ? 0.8777 0.7642 0.7143 0.0052 -0.0650 0.0025 233 ALA a CB +26681 N N A ASN S 234 ? 0.8391 0.7210 0.6724 0.0056 -0.0562 0.0082 234 ASN a N +26682 N N B ASN S 234 ? 0.8389 0.7209 0.6723 0.0056 -0.0562 0.0081 234 ASN a N +26683 C CA A ASN S 234 ? 0.8259 0.7041 0.6548 0.0060 -0.0527 0.0099 234 ASN a CA +26684 C CA B ASN S 234 ? 0.8260 0.7044 0.6550 0.0059 -0.0527 0.0099 234 ASN a CA +26685 C C A ASN S 234 ? 0.8460 0.7205 0.6692 0.0081 -0.0522 0.0117 234 ASN a C +26686 C C B ASN S 234 ? 0.8460 0.7206 0.6693 0.0080 -0.0522 0.0116 234 ASN a C +26687 O O A ASN S 234 ? 0.8263 0.6967 0.6436 0.0089 -0.0501 0.0127 234 ASN a O +26688 O O B ASN S 234 ? 0.8255 0.6961 0.6430 0.0089 -0.0501 0.0127 234 ASN a O +26689 C CB A ASN S 234 ? 0.7617 0.6424 0.5959 0.0041 -0.0494 0.0110 234 ASN a CB +26690 C CB B ASN S 234 ? 0.7608 0.6417 0.5952 0.0040 -0.0494 0.0109 234 ASN a CB +26691 C CG A ASN S 234 ? 0.8713 0.7547 0.7100 0.0021 -0.0494 0.0095 234 ASN a CG +26692 C CG B ASN S 234 ? 0.8738 0.7573 0.7127 0.0020 -0.0496 0.0093 234 ASN a CG +26693 O OD1 A ASN S 234 ? 0.8744 0.7566 0.7108 0.0021 -0.0509 0.0079 234 ASN a OD1 +26694 O OD1 B ASN S 234 ? 0.8756 0.7580 0.7123 0.0020 -0.0511 0.0077 234 ASN a OD1 +26695 N ND2 A ASN S 234 ? 0.7662 0.6529 0.6109 0.0004 -0.0476 0.0099 234 ASN a ND2 +26696 N ND2 B ASN S 234 ? 0.7643 0.6514 0.6095 0.0004 -0.0480 0.0098 234 ASN a ND2 +26697 N N A TYR S 235 ? 0.8098 0.6855 0.6343 0.0090 -0.0539 0.0120 235 TYR a N +26698 N N B TYR S 235 ? 0.8068 0.6826 0.6315 0.0089 -0.0539 0.0120 235 TYR a N +26699 C CA A TYR S 235 ? 0.8587 0.7304 0.6775 0.0110 -0.0536 0.0137 235 TYR a CA +26700 C CA B TYR S 235 ? 0.8562 0.7280 0.6752 0.0110 -0.0536 0.0136 235 TYR a CA +26701 C C A TYR S 235 ? 0.9374 0.8047 0.7483 0.0132 -0.0558 0.0130 235 TYR a C +26702 C C B TYR S 235 ? 0.9378 0.8053 0.7490 0.0131 -0.0559 0.0130 235 TYR a C +26703 O O A TYR S 235 ? 0.9133 0.7761 0.7178 0.0149 -0.0550 0.0145 235 TYR a O +26704 O O B TYR S 235 ? 0.9120 0.7750 0.7168 0.0149 -0.0550 0.0145 235 TYR a O +26705 C CB A TYR S 235 ? 0.9208 0.7947 0.7432 0.0115 -0.0550 0.0141 235 TYR a CB +26706 C CB B TYR S 235 ? 0.9197 0.7938 0.7423 0.0115 -0.0550 0.0140 235 TYR a CB +26707 C CG A TYR S 235 ? 1.0224 0.8990 0.8505 0.0098 -0.0520 0.0154 235 TYR a CG +26708 C CG B TYR S 235 ? 1.0240 0.9007 0.8522 0.0098 -0.0521 0.0154 235 TYR a CG +26709 C CD1 A TYR S 235 ? 1.0550 0.9289 0.8806 0.0095 -0.0483 0.0174 235 TYR a CD1 +26710 C CD1 B TYR S 235 ? 1.0563 0.9301 0.8818 0.0096 -0.0484 0.0175 235 TYR a CD1 +26711 C CD2 A TYR S 235 ? 1.0195 0.9013 0.8553 0.0084 -0.0529 0.0145 235 TYR a CD2 +26712 C CD2 B TYR S 235 ? 1.0204 0.9023 0.8564 0.0083 -0.0528 0.0144 235 TYR a CD2 +26713 C CE1 A TYR S 235 ? 1.1825 1.0588 1.0132 0.0079 -0.0457 0.0185 235 TYR a CE1 +26714 C CE1 B TYR S 235 ? 1.1850 1.0612 1.0156 0.0081 -0.0459 0.0186 235 TYR a CE1 +26715 C CE2 A TYR S 235 ? 0.9752 0.8592 0.8159 0.0069 -0.0502 0.0156 235 TYR a CE2 +26716 C CE2 B TYR S 235 ? 0.9745 0.8585 0.8152 0.0068 -0.0502 0.0156 235 TYR a CE2 +26717 C CZ A TYR S 235 ? 1.1519 1.0331 0.9900 0.0066 -0.0468 0.0176 235 TYR a CZ +26718 C CZ B TYR S 235 ? 1.1549 1.0361 0.9930 0.0067 -0.0468 0.0176 235 TYR a CZ +26719 O OH A TYR S 235 ? 1.0313 0.9147 0.8741 0.0051 -0.0442 0.0186 235 TYR a OH +26720 O OH B TYR S 235 ? 1.0337 0.9170 0.8765 0.0052 -0.0443 0.0187 235 TYR a OH +26721 N N A GLY S 236 ? 0.8491 0.7174 0.6600 0.0130 -0.0585 0.0108 236 GLY a N +26722 N N B GLY S 236 ? 0.8477 0.7163 0.6591 0.0130 -0.0586 0.0108 236 GLY a N +26723 C CA A GLY S 236 ? 0.8618 0.7258 0.6651 0.0150 -0.0606 0.0101 236 GLY a CA +26724 C CA B GLY S 236 ? 0.8611 0.7256 0.6649 0.0149 -0.0608 0.0100 236 GLY a CA +26725 C C A GLY S 236 ? 0.9265 0.7860 0.7235 0.0152 -0.0577 0.0109 236 GLY a C +26726 C C B GLY S 236 ? 0.9263 0.7859 0.7235 0.0153 -0.0579 0.0109 236 GLY a C +26727 O O A GLY S 236 ? 0.9401 0.7955 0.7299 0.0169 -0.0592 0.0104 236 GLY a O +26728 O O B GLY S 236 ? 0.9421 0.7974 0.7319 0.0171 -0.0593 0.0106 236 GLY a O +26729 N N A TYR S 237 ? 0.9211 0.7812 0.7205 0.0137 -0.0538 0.0121 237 TYR a N +26730 N N B TYR S 237 ? 0.9209 0.7811 0.7204 0.0137 -0.0540 0.0121 237 TYR a N +26731 C CA A TYR S 237 ? 0.8729 0.7289 0.6666 0.0140 -0.0507 0.0131 237 TYR a CA +26732 C CA B TYR S 237 ? 0.8709 0.7269 0.6646 0.0141 -0.0508 0.0131 237 TYR a CA +26733 C C A TYR S 237 ? 0.9725 0.8270 0.7652 0.0142 -0.0471 0.0156 237 TYR a C +26734 C C B TYR S 237 ? 0.9738 0.8285 0.7668 0.0141 -0.0471 0.0156 237 TYR a C +26735 O O A TYR S 237 ? 0.9618 0.8197 0.7606 0.0128 -0.0458 0.0164 237 TYR a O +26736 O O B TYR S 237 ? 0.9620 0.8202 0.7613 0.0126 -0.0456 0.0164 237 TYR a O +26737 C CB A TYR S 237 ? 0.9101 0.7679 0.7070 0.0122 -0.0490 0.0121 237 TYR a CB +26738 C CB B TYR S 237 ? 0.9117 0.7694 0.7084 0.0123 -0.0492 0.0121 237 TYR a CB +26739 C CG A TYR S 237 ? 0.9182 0.7724 0.7101 0.0126 -0.0452 0.0133 237 TYR a CG +26740 C CG B TYR S 237 ? 0.9205 0.7747 0.7125 0.0126 -0.0454 0.0133 237 TYR a CG +26741 C CD1 A TYR S 237 ? 0.8947 0.7441 0.6787 0.0141 -0.0456 0.0128 237 TYR a CD1 +26742 C CD1 B TYR S 237 ? 0.8950 0.7445 0.6791 0.0141 -0.0458 0.0127 237 TYR a CD1 +26743 C CD2 A TYR S 237 ? 0.7992 0.6546 0.5940 0.0115 -0.0413 0.0150 237 TYR a CD2 +26744 C CD2 B TYR S 237 ? 0.7973 0.6528 0.5923 0.0115 -0.0415 0.0149 237 TYR a CD2 +26745 C CE1 A TYR S 237 ? 0.8133 0.6596 0.5928 0.0146 -0.0420 0.0139 237 TYR a CE1 +26746 C CE1 B TYR S 237 ? 0.8102 0.6566 0.5900 0.0145 -0.0421 0.0138 237 TYR a CE1 +26747 C CE2 A TYR S 237 ? 0.8170 0.6696 0.6077 0.0119 -0.0378 0.0161 237 TYR a CE2 +26748 C CE2 B TYR S 237 ? 0.8153 0.6680 0.6063 0.0118 -0.0379 0.0160 237 TYR a CE2 +26749 C CZ A TYR S 237 ? 0.8747 0.7228 0.6578 0.0135 -0.0381 0.0156 237 TYR a CZ +26750 C CZ B TYR S 237 ? 0.8750 0.7232 0.6584 0.0134 -0.0382 0.0155 237 TYR a CZ +26751 O OH A TYR S 237 ? 0.8769 0.7223 0.6560 0.0139 -0.0343 0.0166 237 TYR a OH +26752 O OH B TYR S 237 ? 0.8764 0.7220 0.6559 0.0138 -0.0345 0.0165 237 TYR a OH +26753 N N A LYS S 238 ? 0.9609 0.8102 0.7457 0.0157 -0.0455 0.0169 238 LYS a N +26754 N N B LYS S 238 ? 0.9615 0.8110 0.7467 0.0157 -0.0457 0.0169 238 LYS a N +26755 C CA A LYS S 238 ? 1.0176 0.8649 0.8007 0.0157 -0.0418 0.0193 238 LYS a CA +26756 C CA B LYS S 238 ? 1.0187 0.8662 0.8022 0.0157 -0.0419 0.0193 238 LYS a CA +26757 C C A LYS S 238 ? 0.9706 0.8161 0.7511 0.0152 -0.0380 0.0199 238 LYS a C +26758 C C B LYS S 238 ? 0.9707 0.8165 0.7517 0.0151 -0.0381 0.0199 238 LYS a C +26759 O O A LYS S 238 ? 0.9489 0.7913 0.7237 0.0163 -0.0384 0.0191 238 LYS a O +26760 O O B LYS S 238 ? 0.9489 0.7916 0.7243 0.0162 -0.0385 0.0190 238 LYS a O +26761 C CB A LYS S 238 ? 1.1081 0.9505 0.8840 0.0179 -0.0427 0.0205 238 LYS a CB +26762 C CB B LYS S 238 ? 1.1090 0.9515 0.8851 0.0179 -0.0426 0.0206 238 LYS a CB +26763 C CG A LYS S 238 ? 1.1178 0.9611 0.8943 0.0192 -0.0473 0.0195 238 LYS a CG +26764 C CG B LYS S 238 ? 1.1181 0.9612 0.8944 0.0192 -0.0472 0.0196 238 LYS a CG +26765 C CD A LYS S 238 ? 1.1394 0.9871 0.9234 0.0181 -0.0477 0.0199 238 LYS a CD +26766 C CD B LYS S 238 ? 1.1396 0.9874 0.9238 0.0181 -0.0478 0.0198 238 LYS a CD +26767 C CE A LYS S 238 ? 1.2822 1.1311 1.0670 0.0196 -0.0524 0.0186 238 LYS a CE +26768 C CE B LYS S 238 ? 1.2845 1.1331 1.0689 0.0197 -0.0524 0.0187 238 LYS a CE +26769 N NZ A LYS S 238 ? 1.4406 1.2939 1.2329 0.0186 -0.0527 0.0189 238 LYS a NZ +26770 N NZ B LYS S 238 ? 1.4467 1.2996 1.2384 0.0188 -0.0528 0.0190 238 LYS a NZ +26771 N N A PHE S 239 ? 0.9535 0.8013 0.7384 0.0137 -0.0344 0.0212 239 PHE a N +26772 N N B PHE S 239 ? 0.9527 0.8007 0.7381 0.0136 -0.0345 0.0211 239 PHE a N +26773 C CA A PHE S 239 ? 0.9362 0.7828 0.7193 0.0132 -0.0306 0.0218 239 PHE a CA +26774 C CA B PHE S 239 ? 0.9343 0.7812 0.7178 0.0131 -0.0307 0.0217 239 PHE a CA +26775 C C A PHE S 239 ? 1.0363 0.8769 0.8100 0.0150 -0.0292 0.0228 239 PHE a C +26776 C C B PHE S 239 ? 1.0371 0.8781 0.8113 0.0150 -0.0294 0.0227 239 PHE a C +26777 O O A PHE S 239 ? 1.0152 0.8530 0.7853 0.0158 -0.0286 0.0243 239 PHE a O +26778 O O B PHE S 239 ? 1.0120 0.8500 0.7824 0.0158 -0.0288 0.0242 239 PHE a O +26779 C CB A PHE S 239 ? 0.8660 0.7157 0.6548 0.0115 -0.0270 0.0232 239 PHE a CB +26780 C CB B PHE S 239 ? 0.8645 0.7145 0.6537 0.0114 -0.0271 0.0232 239 PHE a CB +26781 C CG A PHE S 239 ? 0.8395 0.6888 0.6274 0.0110 -0.0230 0.0238 239 PHE a CG +26782 C CG B PHE S 239 ? 0.8378 0.6872 0.6259 0.0110 -0.0231 0.0238 239 PHE a CG +26783 C CD1 A PHE S 239 ? 0.8568 0.7076 0.6462 0.0107 -0.0228 0.0224 239 PHE a CD1 +26784 C CD1 B PHE S 239 ? 0.8567 0.7078 0.6466 0.0106 -0.0229 0.0224 239 PHE a CD1 +26785 C CD2 A PHE S 239 ? 0.9121 0.7596 0.6977 0.0109 -0.0193 0.0258 239 PHE a CD2 +26786 C CD2 B PHE S 239 ? 0.9114 0.7589 0.6969 0.0109 -0.0195 0.0258 239 PHE a CD2 +26787 C CE1 A PHE S 239 ? 0.8335 0.6842 0.6222 0.0105 -0.0191 0.0229 239 PHE a CE1 +26788 C CE1 B PHE S 239 ? 0.8329 0.6837 0.6219 0.0104 -0.0192 0.0229 239 PHE a CE1 +26789 C CE2 A PHE S 239 ? 0.9093 0.7569 0.6945 0.0105 -0.0155 0.0263 239 PHE a CE2 +26790 C CE2 B PHE S 239 ? 0.9099 0.7574 0.6948 0.0106 -0.0157 0.0262 239 PHE a CE2 +26791 C CZ A PHE S 239 ? 0.7875 0.6369 0.5743 0.0104 -0.0154 0.0248 239 PHE a CZ +26792 C CZ B PHE S 239 ? 0.7867 0.6361 0.5736 0.0104 -0.0156 0.0248 239 PHE a CZ +26793 N N A GLY S 240 ? 0.9938 0.8323 0.7632 0.0157 -0.0286 0.0219 240 GLY a N +26794 N N B GLY S 240 ? 0.9918 0.8306 0.7617 0.0157 -0.0288 0.0218 240 GLY a N +26795 C CA A GLY S 240 ? 1.1432 0.9760 0.9035 0.0174 -0.0269 0.0227 240 GLY a CA +26796 C CA B GLY S 240 ? 1.1458 0.9789 0.9067 0.0173 -0.0271 0.0227 240 GLY a CA +26797 C C A GLY S 240 ? 1.0690 0.8974 0.8220 0.0195 -0.0305 0.0218 240 GLY a C +26798 C C B GLY S 240 ? 1.0693 0.8980 0.8227 0.0195 -0.0306 0.0218 240 GLY a C +26799 O O A GLY S 240 ? 1.0682 0.8915 0.8129 0.0211 -0.0292 0.0224 240 GLY a O +26800 O O B GLY S 240 ? 1.0680 0.8915 0.8132 0.0210 -0.0293 0.0224 240 GLY a O +26801 N N A GLN S 241 ? 0.9987 0.8290 0.7543 0.0197 -0.0349 0.0205 241 GLN a N +26802 N N B GLN S 241 ? 0.9979 0.8285 0.7539 0.0197 -0.0350 0.0203 241 GLN a N +26803 C CA A GLN S 241 ? 0.9947 0.8212 0.7436 0.0218 -0.0387 0.0194 241 GLN a CA +26804 C CA B GLN S 241 ? 0.9937 0.8205 0.7429 0.0218 -0.0388 0.0194 241 GLN a CA +26805 C C A GLN S 241 ? 1.0423 0.8661 0.7860 0.0226 -0.0389 0.0179 241 GLN a C +26806 C C B GLN S 241 ? 1.0427 0.8666 0.7865 0.0226 -0.0390 0.0179 241 GLN a C +26807 O O A GLN S 241 ? 0.9625 0.7888 0.7100 0.0213 -0.0378 0.0169 241 GLN a O +26808 O O B GLN S 241 ? 0.9609 0.7873 0.7085 0.0213 -0.0381 0.0168 241 GLN a O +26809 C CB A GLN S 241 ? 0.8822 0.7124 0.6362 0.0216 -0.0434 0.0178 241 GLN a CB +26810 C CB B GLN S 241 ? 0.8792 0.7095 0.6334 0.0216 -0.0434 0.0178 241 GLN a CB +26811 C CG A GLN S 241 ? 0.9328 0.7674 0.6930 0.0200 -0.0450 0.0156 241 GLN a CG +26812 C CG B GLN S 241 ? 0.9314 0.7663 0.6920 0.0200 -0.0450 0.0156 241 GLN a CG +26813 C CD A GLN S 241 ? 0.9221 0.7604 0.6873 0.0198 -0.0495 0.0140 241 GLN a CD +26814 C CD B GLN S 241 ? 0.9208 0.7594 0.6865 0.0197 -0.0494 0.0140 241 GLN a CD +26815 O OE1 A GLN S 241 ? 0.9765 0.8178 0.7466 0.0193 -0.0501 0.0147 241 GLN a OE1 +26816 O OE1 B GLN S 241 ? 0.9789 0.8204 0.7496 0.0192 -0.0498 0.0148 241 GLN a OE1 +26817 N NE2 A GLN S 241 ? 0.9299 0.7681 0.6937 0.0201 -0.0528 0.0117 241 GLN a NE2 +26818 N NE2 B GLN S 241 ? 0.9277 0.7662 0.6920 0.0201 -0.0529 0.0118 241 GLN a NE2 +26819 N N A GLU S 242 ? 1.0584 0.8767 0.7930 0.0248 -0.0404 0.0179 242 GLU a N +26820 N N B GLU S 242 ? 1.0582 0.8765 0.7929 0.0248 -0.0404 0.0179 242 GLU a N +26821 C CA A GLU S 242 ? 1.0427 0.8575 0.7710 0.0258 -0.0404 0.0166 242 GLU a CA +26822 C CA B GLU S 242 ? 1.0409 0.8557 0.7692 0.0258 -0.0405 0.0166 242 GLU a CA +26823 C C A GLU S 242 ? 1.0577 0.8743 0.7880 0.0256 -0.0447 0.0139 242 GLU a C +26824 C C B GLU S 242 ? 1.0575 0.8742 0.7879 0.0256 -0.0448 0.0139 242 GLU a C +26825 O O A GLU S 242 ? 1.0310 0.8468 0.7597 0.0255 -0.0443 0.0125 242 GLU a O +26826 O O B GLU S 242 ? 1.0293 0.8453 0.7585 0.0254 -0.0443 0.0125 242 GLU a O +26827 C CB A GLU S 242 ? 1.1421 0.9500 0.8594 0.0284 -0.0405 0.0175 242 GLU a CB +26828 C CB B GLU S 242 ? 1.1406 0.9485 0.8580 0.0283 -0.0405 0.0176 242 GLU a CB +26829 C CG A GLU S 242 ? 1.3623 1.1671 1.0757 0.0286 -0.0356 0.0201 242 GLU a CG +26830 C CG B GLU S 242 ? 1.3634 1.1683 1.0769 0.0285 -0.0355 0.0201 242 GLU a CG +26831 C CD A GLU S 242 ? 1.6516 1.4494 1.3537 0.0307 -0.0345 0.0205 242 GLU a CD +26832 C CD B GLU S 242 ? 1.6544 1.4523 1.3566 0.0307 -0.0344 0.0205 242 GLU a CD +26833 O OE1 A GLU S 242 ? 1.5974 1.3936 1.2962 0.0313 -0.0350 0.0189 242 GLU a OE1 +26834 O OE1 B GLU S 242 ? 1.5992 1.3956 1.2982 0.0312 -0.0349 0.0189 242 GLU a OE1 +26835 O OE2 A GLU S 242 ? 1.7785 1.5719 1.4746 0.0319 -0.0331 0.0224 242 GLU a OE2 +26836 O OE2 B GLU S 242 ? 1.7806 1.5742 1.4768 0.0319 -0.0331 0.0224 242 GLU a OE2 +26837 N N A GLU S 243 ? 0.9568 0.7760 0.6906 0.0256 -0.0488 0.0129 243 GLU a N +26838 N N B GLU S 243 ? 0.9523 0.7714 0.6858 0.0258 -0.0490 0.0129 243 GLU a N +26839 C CA A GLU S 243 ? 1.0981 0.9189 0.8333 0.0255 -0.0532 0.0102 243 GLU a CA +26840 C CA B GLU S 243 ? 1.0977 0.9182 0.8325 0.0256 -0.0534 0.0102 243 GLU a CA +26841 C C A GLU S 243 ? 1.0885 0.9150 0.8332 0.0229 -0.0530 0.0090 243 GLU a C +26842 C C B GLU S 243 ? 1.0912 0.9177 0.8357 0.0230 -0.0532 0.0090 243 GLU a C +26843 O O A GLU S 243 ? 0.9756 0.8063 0.7275 0.0214 -0.0513 0.0101 243 GLU a O +26844 O O B GLU S 243 ? 0.9743 0.8048 0.7258 0.0215 -0.0515 0.0100 243 GLU a O +26845 C CB A GLU S 243 ? 1.2128 1.0341 0.9477 0.0267 -0.0578 0.0095 243 GLU a CB +26846 C CB B GLU S 243 ? 1.2150 1.0359 0.9492 0.0269 -0.0580 0.0095 243 GLU a CB +26847 C CG A GLU S 243 ? 1.4930 1.3079 1.2173 0.0296 -0.0590 0.0102 243 GLU a CG +26848 C CG B GLU S 243 ? 1.4964 1.3109 1.2201 0.0298 -0.0591 0.0102 243 GLU a CG +26849 C CD A GLU S 243 ? 1.7803 1.5958 1.5042 0.0311 -0.0640 0.0093 243 GLU a CD +26850 C CD B GLU S 243 ? 1.7843 1.5993 1.5074 0.0313 -0.0641 0.0093 243 GLU a CD +26851 O OE1 A GLU S 243 ? 1.8005 1.6204 1.5312 0.0304 -0.0650 0.0096 243 GLU a OE1 +26852 O OE1 B GLU S 243 ? 1.8072 1.6263 1.5369 0.0306 -0.0649 0.0098 243 GLU a OE1 +26853 O OE2 A GLU S 243 ? 1.8955 1.7071 1.6121 0.0331 -0.0671 0.0081 243 GLU a OE2 +26854 O OE2 B GLU S 243 ? 1.8992 1.7105 1.6153 0.0332 -0.0672 0.0081 243 GLU a OE2 +26855 N N A GLU S 244 ? 1.0179 0.8444 0.7623 0.0224 -0.0547 0.0067 244 GLU a N +26856 N N B GLU S 244 ? 1.0179 0.8443 0.7621 0.0225 -0.0551 0.0067 244 GLU a N +26857 C CA A GLU S 244 ? 0.9664 0.7979 0.7192 0.0200 -0.0553 0.0053 244 GLU a CA +26858 C CA B GLU S 244 ? 0.9644 0.7959 0.7171 0.0201 -0.0556 0.0053 244 GLU a CA +26859 C C A GLU S 244 ? 1.0266 0.8629 0.7862 0.0192 -0.0585 0.0047 244 GLU a C +26860 C C B GLU S 244 ? 1.0283 0.8648 0.7881 0.0192 -0.0587 0.0047 244 GLU a C +26861 O O A GLU S 244 ? 0.9431 0.7787 0.7002 0.0206 -0.0617 0.0044 244 GLU a O +26862 O O B GLU S 244 ? 0.9420 0.7778 0.6994 0.0206 -0.0620 0.0043 244 GLU a O +26863 C CB A GLU S 244 ? 0.9620 0.7917 0.7121 0.0198 -0.0570 0.0029 244 GLU a CB +26864 C CB B GLU S 244 ? 0.9620 0.7917 0.7120 0.0199 -0.0574 0.0028 244 GLU a CB +26865 C CG A GLU S 244 ? 0.9704 0.8035 0.7272 0.0174 -0.0561 0.0017 244 GLU a CG +26866 C CG B GLU S 244 ? 0.9694 0.8025 0.7261 0.0175 -0.0563 0.0017 244 GLU a CG +26867 C CD A GLU S 244 ? 1.1165 0.9520 0.8781 0.0163 -0.0515 0.0037 244 GLU a CD +26868 C CD B GLU S 244 ? 1.1310 0.9657 0.8913 0.0166 -0.0514 0.0037 244 GLU a CD +26869 O OE1 A GLU S 244 ? 0.9373 0.7769 0.7053 0.0153 -0.0512 0.0048 244 GLU a OE1 +26870 O OE1 B GLU S 244 ? 0.9325 0.7712 0.6991 0.0155 -0.0505 0.0050 244 GLU a OE1 +26871 O OE2 A GLU S 244 ? 1.1124 0.9457 0.8714 0.0164 -0.0483 0.0041 244 GLU a OE2 +26872 O OE2 B GLU S 244 ? 1.1529 0.9847 0.9096 0.0169 -0.0486 0.0040 244 GLU a OE2 +26873 N N A THR S 245 ? 0.9933 0.8347 0.7617 0.0169 -0.0576 0.0045 245 THR a N +26874 N N B THR S 245 ? 0.9943 0.8357 0.7626 0.0169 -0.0576 0.0046 245 THR a N +26875 C CA A THR S 245 ? 0.9345 0.7810 0.7102 0.0159 -0.0596 0.0044 245 THR a CA +26876 C CA B THR S 245 ? 0.9324 0.7788 0.7080 0.0160 -0.0597 0.0044 245 THR a CA +26877 C C A THR S 245 ? 0.9412 0.7912 0.7219 0.0144 -0.0632 0.0017 245 THR a C +26878 C C B THR S 245 ? 0.9410 0.7909 0.7213 0.0146 -0.0633 0.0018 245 THR a C +26879 O O A THR S 245 ? 0.9775 0.8320 0.7644 0.0136 -0.0652 0.0013 245 THR a O +26880 O O B THR S 245 ? 0.9777 0.8319 0.7639 0.0139 -0.0655 0.0012 245 THR a O +26881 C CB A THR S 245 ? 0.9779 0.8277 0.7600 0.0144 -0.0560 0.0062 245 THR a CB +26882 C CB B THR S 245 ? 0.9790 0.8289 0.7612 0.0144 -0.0562 0.0062 245 THR a CB +26883 O OG1 A THR S 245 ? 0.8819 0.7357 0.6698 0.0140 -0.0576 0.0065 245 THR a OG1 +26884 O OG1 B THR S 245 ? 0.8810 0.7350 0.6691 0.0140 -0.0580 0.0064 245 THR a OG1 +26885 C CG2 A THR S 245 ? 0.8713 0.7234 0.6583 0.0122 -0.0542 0.0054 245 THR a CG2 +26886 C CG2 B THR S 245 ? 0.8696 0.7219 0.6568 0.0123 -0.0544 0.0054 245 THR a CG2 +26887 N N A TYR S 246 ? 0.9580 0.8061 0.7361 0.0140 -0.0639 -0.0001 246 TYR a N +26888 N N B TYR S 246 ? 0.9571 0.8052 0.7351 0.0141 -0.0640 0.0000 246 TYR a N +26889 C CA A TYR S 246 ? 0.9896 0.8404 0.7716 0.0124 -0.0673 -0.0027 246 TYR a CA +26890 C CA B TYR S 246 ? 0.9900 0.8408 0.7718 0.0125 -0.0673 -0.0027 246 TYR a CA +26891 C C A TYR S 246 ? 0.9766 0.8229 0.7510 0.0137 -0.0698 -0.0045 246 TYR a C +26892 C C B TYR S 246 ? 0.9770 0.8234 0.7514 0.0138 -0.0699 -0.0045 246 TYR a C +26893 O O A TYR S 246 ? 0.9787 0.8199 0.7451 0.0156 -0.0684 -0.0036 246 TYR a O +26894 O O B TYR S 246 ? 0.9792 0.8204 0.7457 0.0156 -0.0684 -0.0036 246 TYR a O +26895 C CB A TYR S 246 ? 0.9279 0.7814 0.7161 0.0098 -0.0653 -0.0033 246 TYR a CB +26896 C CB B TYR S 246 ? 0.9278 0.7814 0.7159 0.0099 -0.0653 -0.0032 246 TYR a CB +26897 C CG A TYR S 246 ? 0.9375 0.7870 0.7212 0.0098 -0.0626 -0.0033 246 TYR a CG +26898 C CG B TYR S 246 ? 0.9358 0.7853 0.7194 0.0099 -0.0627 -0.0033 246 TYR a CG +26899 C CD1 A TYR S 246 ? 1.0031 0.8500 0.7834 0.0109 -0.0586 -0.0011 246 TYR a CD1 +26900 C CD1 B TYR S 246 ? 1.0034 0.8503 0.7836 0.0109 -0.0587 -0.0011 246 TYR a CD1 +26901 C CD2 A TYR S 246 ? 1.0603 0.9086 0.8431 0.0087 -0.0641 -0.0056 246 TYR a CD2 +26902 C CD2 B TYR S 246 ? 1.0616 0.9101 0.8447 0.0087 -0.0642 -0.0055 246 TYR a CD2 +26903 C CE1 A TYR S 246 ? 1.0234 0.8669 0.7998 0.0110 -0.0561 -0.0012 246 TYR a CE1 +26904 C CE1 B TYR S 246 ? 1.0241 0.8676 0.8004 0.0111 -0.0562 -0.0012 246 TYR a CE1 +26905 C CE2 A TYR S 246 ? 1.0548 0.8992 0.8333 0.0089 -0.0617 -0.0056 246 TYR a CE2 +26906 C CE2 B TYR S 246 ? 1.0556 0.9003 0.8345 0.0089 -0.0618 -0.0057 246 TYR a CE2 +26907 C CZ A TYR S 246 ? 1.0535 0.8957 0.8289 0.0102 -0.0577 -0.0034 246 TYR a CZ +26908 C CZ B TYR S 246 ? 1.0532 0.8955 0.8287 0.0101 -0.0578 -0.0035 246 TYR a CZ +26909 O OH A TYR S 246 ? 1.2829 1.1215 1.0543 0.0105 -0.0552 -0.0035 246 TYR a OH +26910 O OH B TYR S 246 ? 1.2874 1.1262 1.0589 0.0105 -0.0554 -0.0036 246 TYR a OH +26911 N N A ASN S 247 ? 0.9059 0.7543 0.6828 0.0125 -0.0734 -0.0071 247 ASN a N +26912 N N B ASN S 247 ? 0.9066 0.7551 0.6835 0.0127 -0.0736 -0.0071 247 ASN a N +26913 C CA A ASN S 247 ? 0.9007 0.7454 0.6712 0.0136 -0.0766 -0.0092 247 ASN a CA +26914 C CA B ASN S 247 ? 0.8984 0.7434 0.6691 0.0136 -0.0768 -0.0092 247 ASN a CA +26915 C C A ASN S 247 ? 0.9479 0.7912 0.7183 0.0117 -0.0757 -0.0108 247 ASN a C +26916 C C B ASN S 247 ? 0.9472 0.7909 0.7182 0.0117 -0.0758 -0.0108 247 ASN a C +26917 O O A ASN S 247 ? 0.8932 0.7400 0.6697 0.0094 -0.0773 -0.0127 247 ASN a O +26918 O O B ASN S 247 ? 0.8914 0.7386 0.6683 0.0094 -0.0774 -0.0127 247 ASN a O +26919 C CB A ASN S 247 ? 0.9445 0.7926 0.7178 0.0136 -0.0816 -0.0112 247 ASN a CB +26920 C CB B ASN S 247 ? 0.9439 0.7922 0.7174 0.0136 -0.0818 -0.0113 247 ASN a CB +26921 C CG A ASN S 247 ? 1.0578 0.9023 0.8244 0.0147 -0.0854 -0.0136 247 ASN a CG +26922 C CG B ASN S 247 ? 1.0604 0.9051 0.8271 0.0148 -0.0855 -0.0135 247 ASN a CG +26923 O OD1 A ASN S 247 ? 0.9623 0.8028 0.7241 0.0145 -0.0846 -0.0144 247 ASN a OD1 +26924 O OD1 B ASN S 247 ? 0.9649 0.8052 0.7263 0.0147 -0.0845 -0.0142 247 ASN a OD1 +26925 N ND2 A ASN S 247 ? 0.9391 0.7853 0.7056 0.0159 -0.0897 -0.0147 247 ASN a ND2 +26926 N ND2 B ASN S 247 ? 0.9373 0.7838 0.7041 0.0159 -0.0899 -0.0148 247 ASN a ND2 +26927 N N A ILE S 248 ? 0.9947 0.8328 0.7583 0.0129 -0.0731 -0.0101 248 ILE a N +26928 N N B ILE S 248 ? 0.9926 0.8312 0.7569 0.0127 -0.0730 -0.0100 248 ILE a N +26929 C CA A ILE S 248 ? 1.0962 0.9328 0.8600 0.0113 -0.0716 -0.0113 248 ILE a CA +26930 C CA B ILE S 248 ? 1.0972 0.9341 0.8614 0.0112 -0.0717 -0.0113 248 ILE a CA +26931 C C A ILE S 248 ? 1.0702 0.9051 0.8314 0.0107 -0.0756 -0.0144 248 ILE a C +26932 C C B ILE S 248 ? 1.0712 0.9065 0.8328 0.0107 -0.0757 -0.0143 248 ILE a C +26933 O O A ILE S 248 ? 1.0235 0.8589 0.7874 0.0086 -0.0757 -0.0160 248 ILE a O +26934 O O B ILE S 248 ? 1.0223 0.8576 0.7861 0.0087 -0.0757 -0.0159 248 ILE a O +26935 C CB A ILE S 248 ? 1.1148 0.9466 0.8724 0.0127 -0.0674 -0.0097 248 ILE a CB +26936 C CB B ILE S 248 ? 1.1153 0.9473 0.8731 0.0127 -0.0676 -0.0097 248 ILE a CB +26937 C CG1 A ILE S 248 ? 1.2129 1.0441 0.9725 0.0109 -0.0653 -0.0105 248 ILE a CG1 +26938 C CG1 B ILE S 248 ? 1.2135 1.0449 0.9733 0.0110 -0.0654 -0.0105 248 ILE a CG1 +26939 C CG2 A ILE S 248 ? 1.0861 0.9120 0.8335 0.0152 -0.0686 -0.0102 248 ILE a CG2 +26940 C CG2 B ILE S 248 ? 1.0844 0.9106 0.8321 0.0152 -0.0689 -0.0102 248 ILE a CG2 +26941 C CD1 A ILE S 248 ? 1.3163 1.1429 1.0698 0.0124 -0.0615 -0.0094 248 ILE a CD1 +26942 C CD1 B ILE S 248 ? 1.3191 1.1459 1.0729 0.0124 -0.0615 -0.0092 248 ILE a CD1 +26943 N N A VAL S 249 ? 1.0018 0.8349 0.7578 0.0125 -0.0791 -0.0153 249 VAL a N +26944 N N B VAL S 249 ? 0.9967 0.8304 0.7535 0.0124 -0.0793 -0.0153 249 VAL a N +26945 C CA A VAL S 249 ? 1.0610 0.8932 0.8153 0.0118 -0.0833 -0.0184 249 VAL a CA +26946 C CA B VAL S 249 ? 1.0610 0.8937 0.8159 0.0118 -0.0835 -0.0184 249 VAL a CA +26947 C C A VAL S 249 ? 1.0230 0.8614 0.7866 0.0091 -0.0859 -0.0201 249 VAL a C +26948 C C B VAL S 249 ? 1.0228 0.8618 0.7871 0.0091 -0.0861 -0.0201 249 VAL a C +26949 O O A VAL S 249 ? 0.9366 0.7753 0.7021 0.0070 -0.0875 -0.0225 249 VAL a O +26950 O O B VAL S 249 ? 0.9340 0.7732 0.7000 0.0069 -0.0876 -0.0225 249 VAL a O +26951 C CB A VAL S 249 ? 1.1299 0.9587 0.8762 0.0146 -0.0865 -0.0190 249 VAL a CB +26952 C CB B VAL S 249 ? 1.1362 0.9656 0.8833 0.0146 -0.0867 -0.0188 249 VAL a CB +26953 C CG1 A VAL S 249 ? 0.9760 0.8050 0.7218 0.0138 -0.0915 -0.0223 249 VAL a CG1 +26954 C CG1 B VAL S 249 ? 0.9729 0.8022 0.7190 0.0139 -0.0916 -0.0222 249 VAL a CG1 +26955 C CG2 A VAL S 249 ? 0.9950 0.8168 0.7314 0.0169 -0.0838 -0.0178 249 VAL a CG2 +26956 C CG2 B VAL S 249 ? 0.9939 0.8165 0.7311 0.0170 -0.0838 -0.0174 249 VAL a CG2 +26957 N N A ALA S 250 ? 0.9628 0.8063 0.7325 0.0090 -0.0861 -0.0190 250 ALA a N +26958 N N B ALA S 250 ? 0.9616 0.8056 0.7320 0.0090 -0.0864 -0.0190 250 ALA a N +26959 C CA A ALA S 250 ? 1.0141 0.8639 0.7933 0.0064 -0.0880 -0.0204 250 ALA a CA +26960 C CA B ALA S 250 ? 1.0144 0.8647 0.7942 0.0063 -0.0882 -0.0204 250 ALA a CA +26961 C C A ALA S 250 ? 0.9699 0.8212 0.7546 0.0035 -0.0850 -0.0203 250 ALA a C +26962 C C B ALA S 250 ? 0.9702 0.8219 0.7555 0.0035 -0.0851 -0.0203 250 ALA a C +26963 O O A ALA S 250 ? 0.9207 0.7748 0.7105 0.0009 -0.0867 -0.0224 250 ALA a O +26964 O O B ALA S 250 ? 0.9208 0.7753 0.7111 0.0008 -0.0868 -0.0224 250 ALA a O +26965 C CB A ALA S 250 ? 0.9216 0.7762 0.7058 0.0072 -0.0884 -0.0188 250 ALA a CB +26966 C CB B ALA S 250 ? 0.9144 0.7696 0.6994 0.0071 -0.0887 -0.0189 250 ALA a CB +26967 N N A ALA S 251 ? 0.9111 0.7605 0.6948 0.0039 -0.0805 -0.0180 251 ALA a N +26968 N N B ALA S 251 ? 0.9081 0.7579 0.6922 0.0039 -0.0806 -0.0179 251 ALA a N +26969 C CA A ALA S 251 ? 0.9957 0.8461 0.7841 0.0015 -0.0777 -0.0179 251 ALA a CA +26970 C CA B ALA S 251 ? 0.9956 0.8463 0.7842 0.0015 -0.0777 -0.0178 251 ALA a CA +26971 C C A ALA S 251 ? 1.0890 0.9354 0.8736 0.0004 -0.0783 -0.0200 251 ALA a C +26972 C C B ALA S 251 ? 1.0934 0.9400 0.8782 0.0004 -0.0783 -0.0199 251 ALA a C +26973 O O A ALA S 251 ? 0.9399 0.7880 0.7293 -0.0024 -0.0785 -0.0214 251 ALA a O +26974 O O B ALA S 251 ? 0.9401 0.7883 0.7295 -0.0023 -0.0785 -0.0214 251 ALA a O +26975 C CB A ALA S 251 ? 0.9056 0.7549 0.6934 0.0024 -0.0729 -0.0150 251 ALA a CB +26976 C CB B ALA S 251 ? 0.9044 0.7539 0.6924 0.0025 -0.0730 -0.0149 251 ALA a CB +26977 N N A HIS S 252 ? 0.9235 0.7642 0.6993 0.0025 -0.0786 -0.0203 252 HIS a N +26978 N N B HIS S 252 ? 0.9213 0.7622 0.6972 0.0026 -0.0786 -0.0202 252 HIS a N +26979 C CA A HIS S 252 ? 0.9513 0.7877 0.7228 0.0017 -0.0793 -0.0225 252 HIS a CA +26980 C CA B HIS S 252 ? 0.9473 0.7838 0.7188 0.0018 -0.0794 -0.0224 252 HIS a CA +26981 C C A HIS S 252 ? 0.9778 0.8160 0.7515 -0.0002 -0.0839 -0.0255 252 HIS a C +26982 C C B HIS S 252 ? 0.9771 0.8156 0.7510 -0.0001 -0.0840 -0.0254 252 HIS a C +26983 O O A HIS S 252 ? 0.9496 0.7871 0.7248 -0.0026 -0.0844 -0.0275 252 HIS a O +26984 O O B HIS S 252 ? 0.9475 0.7849 0.7224 -0.0024 -0.0845 -0.0274 252 HIS a O +26985 C CB A HIS S 252 ? 1.0632 0.8931 0.8244 0.0046 -0.0786 -0.0220 252 HIS a CB +26986 C CB B HIS S 252 ? 1.0607 0.8908 0.8219 0.0047 -0.0788 -0.0219 252 HIS a CB +26987 C CG A HIS S 252 ? 1.2319 1.0568 0.9874 0.0042 -0.0800 -0.0244 252 HIS a CG +26988 C CG B HIS S 252 ? 1.2329 1.0580 0.9884 0.0043 -0.0801 -0.0243 252 HIS a CG +26989 N ND1 A HIS S 252 ? 1.2605 1.0828 1.0158 0.0029 -0.0776 -0.0248 252 HIS a ND1 +26990 N ND1 B HIS S 252 ? 1.2627 1.0855 1.0184 0.0029 -0.0777 -0.0248 252 HIS a ND1 +26991 C CD2 A HIS S 252 ? 1.1117 0.9334 0.8611 0.0051 -0.0836 -0.0265 252 HIS a CD2 +26992 C CD2 B HIS S 252 ? 1.1088 0.9304 0.8579 0.0053 -0.0835 -0.0264 252 HIS a CD2 +26993 C CE1 A HIS S 252 ? 1.2871 1.1048 1.0365 0.0029 -0.0796 -0.0272 252 HIS a CE1 +26994 C CE1 B HIS S 252 ? 1.2867 1.1048 1.0365 0.0029 -0.0796 -0.0270 252 HIS a CE1 +26995 N NE2 A HIS S 252 ? 1.2482 1.0654 0.9939 0.0042 -0.0833 -0.0282 252 HIS a NE2 +26996 N NE2 B HIS S 252 ? 1.2474 1.0647 0.9931 0.0043 -0.0831 -0.0281 252 HIS a NE2 +26997 N N A GLY S 253 ? 0.9559 0.7969 0.7303 0.0008 -0.0874 -0.0261 253 GLY a N +26998 N N B GLY S 253 ? 0.9530 0.7945 0.7279 0.0008 -0.0874 -0.0260 253 GLY a N +26999 C CA A GLY S 253 ? 0.9551 0.7990 0.7328 -0.0010 -0.0919 -0.0291 253 GLY a CA +27000 C CA B GLY S 253 ? 0.9510 0.7952 0.7290 -0.0010 -0.0919 -0.0290 253 GLY a CA +27001 C C A GLY S 253 ? 0.9863 0.8356 0.7738 -0.0045 -0.0916 -0.0298 253 GLY a C +27002 C C B GLY S 253 ? 0.9868 0.8364 0.7746 -0.0045 -0.0916 -0.0298 253 GLY a C +27003 O O A GLY S 253 ? 0.9673 0.8177 0.7573 -0.0070 -0.0940 -0.0325 253 GLY a O +27004 O O B GLY S 253 ? 0.9666 0.8173 0.7568 -0.0069 -0.0941 -0.0324 253 GLY a O +27005 N N A TYR S 254 ? 1.0100 0.8629 0.8031 -0.0048 -0.0886 -0.0275 254 TYR a N +27006 N N B TYR S 254 ? 1.0107 0.8639 0.8042 -0.0048 -0.0887 -0.0275 254 TYR a N +27007 C CA A TYR S 254 ? 0.8970 0.7545 0.6989 -0.0081 -0.0877 -0.0280 254 TYR a CA +27008 C CA B TYR S 254 ? 0.8958 0.7536 0.6980 -0.0081 -0.0878 -0.0280 254 TYR a CA +27009 C C A TYR S 254 ? 0.8560 0.7098 0.6567 -0.0100 -0.0851 -0.0284 254 TYR a C +27010 C C B TYR S 254 ? 0.8541 0.7084 0.6553 -0.0100 -0.0852 -0.0284 254 TYR a C +27011 O O A TYR S 254 ? 0.8881 0.7427 0.6921 -0.0129 -0.0863 -0.0305 254 TYR a O +27012 O O B TYR S 254 ? 0.8874 0.7426 0.6921 -0.0130 -0.0864 -0.0304 254 TYR a O +27013 C CB A TYR S 254 ? 0.8872 0.7492 0.6950 -0.0078 -0.0852 -0.0254 254 TYR a CB +27014 C CB B TYR S 254 ? 0.8865 0.7489 0.6946 -0.0078 -0.0854 -0.0254 254 TYR a CB +27015 C CG A TYR S 254 ? 0.8631 0.7287 0.6787 -0.0110 -0.0833 -0.0254 254 TYR a CG +27016 C CG B TYR S 254 ? 0.8640 0.7299 0.6799 -0.0110 -0.0834 -0.0254 254 TYR a CG +27017 C CD1 A TYR S 254 ? 0.8330 0.7042 0.6561 -0.0133 -0.0856 -0.0271 254 TYR a CD1 +27018 C CD1 B TYR S 254 ? 0.8325 0.7040 0.6560 -0.0134 -0.0857 -0.0271 254 TYR a CD1 +27019 C CD2 A TYR S 254 ? 0.7974 0.6607 0.6129 -0.0115 -0.0792 -0.0238 254 TYR a CD2 +27020 C CD2 B TYR S 254 ? 0.7967 0.6603 0.6125 -0.0115 -0.0793 -0.0238 254 TYR a CD2 +27021 C CE1 A TYR S 254 ? 0.8376 0.7118 0.6675 -0.0162 -0.0838 -0.0271 254 TYR a CE1 +27022 C CE1 B TYR S 254 ? 0.8371 0.7115 0.6673 -0.0163 -0.0838 -0.0271 254 TYR a CE1 +27023 C CE2 A TYR S 254 ? 0.8203 0.6864 0.6424 -0.0143 -0.0775 -0.0238 254 TYR a CE2 +27024 C CE2 B TYR S 254 ? 0.8205 0.6869 0.6428 -0.0143 -0.0776 -0.0238 254 TYR a CE2 +27025 C CZ A TYR S 254 ? 0.8386 0.7101 0.6678 -0.0167 -0.0798 -0.0254 254 TYR a CZ +27026 C CZ B TYR S 254 ? 0.8387 0.7103 0.6681 -0.0167 -0.0798 -0.0254 254 TYR a CZ +27027 O OH A TYR S 254 ? 0.8450 0.7190 0.6804 -0.0195 -0.0780 -0.0254 254 TYR a OH +27028 O OH B TYR S 254 ? 0.8469 0.7211 0.6826 -0.0195 -0.0779 -0.0253 254 TYR a OH +27029 N N A PHE S 255 ? 0.8480 0.6975 0.6439 -0.0083 -0.0816 -0.0264 255 PHE a N +27030 N N B PHE S 255 ? 0.8451 0.6951 0.6416 -0.0084 -0.0817 -0.0263 255 PHE a N +27031 C CA A PHE S 255 ? 0.9287 0.7751 0.7242 -0.0098 -0.0787 -0.0264 255 PHE a CA +27032 C CA B PHE S 255 ? 0.9251 0.7720 0.7212 -0.0099 -0.0788 -0.0263 255 PHE a CA +27033 C C A PHE S 255 ? 0.9849 0.8264 0.7752 -0.0107 -0.0806 -0.0290 255 PHE a C +27034 C C B PHE S 255 ? 0.9830 0.8251 0.7740 -0.0108 -0.0807 -0.0289 255 PHE a C +27035 O O A PHE S 255 ? 0.9481 0.7884 0.7402 -0.0132 -0.0799 -0.0301 255 PHE a O +27036 O O B PHE S 255 ? 0.9401 0.7812 0.7332 -0.0134 -0.0800 -0.0301 255 PHE a O +27037 C CB A PHE S 255 ? 1.0208 0.8644 0.8129 -0.0076 -0.0745 -0.0236 255 PHE a CB +27038 C CB B PHE S 255 ? 1.0194 0.8634 0.8119 -0.0077 -0.0746 -0.0236 255 PHE a CB +27039 C CG A PHE S 255 ? 1.0726 0.9137 0.8651 -0.0089 -0.0714 -0.0233 255 PHE a CG +27040 C CG B PHE S 255 ? 1.0718 0.9132 0.8646 -0.0089 -0.0714 -0.0232 255 PHE a CG +27041 C CD1 A PHE S 255 ? 1.1089 0.9532 0.9084 -0.0119 -0.0708 -0.0237 255 PHE a CD1 +27042 C CD1 B PHE S 255 ? 1.1089 0.9534 0.9086 -0.0119 -0.0708 -0.0236 255 PHE a CD1 +27043 C CD2 A PHE S 255 ? 1.1167 0.9523 0.9024 -0.0071 -0.0689 -0.0226 255 PHE a CD2 +27044 C CD2 B PHE S 255 ? 1.1126 0.9485 0.8986 -0.0070 -0.0690 -0.0225 255 PHE a CD2 +27045 C CE1 A PHE S 255 ? 1.1481 0.9897 0.9476 -0.0129 -0.0680 -0.0234 255 PHE a CE1 +27046 C CE1 B PHE S 255 ? 1.1485 0.9902 0.9480 -0.0128 -0.0680 -0.0233 255 PHE a CE1 +27047 C CE2 A PHE S 255 ? 1.2933 1.1265 1.0792 -0.0080 -0.0662 -0.0223 255 PHE a CE2 +27048 C CE2 B PHE S 255 ? 1.2948 1.1283 1.0809 -0.0079 -0.0662 -0.0222 255 PHE a CE2 +27049 C CZ A PHE S 255 ? 1.2767 1.1128 1.0694 -0.0109 -0.0658 -0.0227 255 PHE a CZ +27050 C CZ B PHE S 255 ? 1.2785 1.1147 1.0712 -0.0108 -0.0658 -0.0226 255 PHE a CZ +27051 N N A GLY S 256 ? 1.0455 0.8837 0.8288 -0.0086 -0.0830 -0.0300 256 GLY a N +27052 N N B GLY S 256 ? 1.0471 0.8859 0.8312 -0.0088 -0.0830 -0.0299 256 GLY a N +27053 C CA A GLY S 256 ? 0.9774 0.8108 0.7554 -0.0094 -0.0852 -0.0326 256 GLY a CA +27054 C CA B GLY S 256 ? 0.9738 0.8077 0.7525 -0.0095 -0.0851 -0.0326 256 GLY a CA +27055 C C A GLY S 256 ? 1.0043 0.8409 0.7878 -0.0128 -0.0884 -0.0355 256 GLY a C +27056 C C B GLY S 256 ? 1.0024 0.8395 0.7865 -0.0129 -0.0884 -0.0354 256 GLY a C +27057 O O A GLY S 256 ? 1.0506 0.8842 0.8331 -0.0149 -0.0886 -0.0373 256 GLY a O +27058 O O B GLY S 256 ? 1.0495 0.8835 0.8325 -0.0150 -0.0887 -0.0373 256 GLY a O +27059 N N A ARG S 257 ? 0.9498 0.7926 0.7393 -0.0134 -0.0909 -0.0359 257 ARG a N +27060 N N B ARG S 257 ? 0.9482 0.7915 0.7382 -0.0134 -0.0910 -0.0358 257 ARG a N +27061 C CA A ARG S 257 ? 0.8690 0.7156 0.6646 -0.0169 -0.0938 -0.0386 257 ARG a CA +27062 C CA B ARG S 257 ? 0.8660 0.7131 0.6621 -0.0169 -0.0939 -0.0385 257 ARG a CA +27063 C C A ARG S 257 ? 0.9852 0.8342 0.7878 -0.0200 -0.0910 -0.0381 257 ARG a C +27064 C C B ARG S 257 ? 0.9866 0.8362 0.7898 -0.0200 -0.0911 -0.0380 257 ARG a C +27065 O O A ARG S 257 ? 1.0239 0.8734 0.8296 -0.0233 -0.0922 -0.0403 257 ARG a O +27066 O O B ARG S 257 ? 1.0268 0.8771 0.8333 -0.0233 -0.0924 -0.0403 257 ARG a O +27067 C CB A ARG S 257 ? 0.9349 0.7877 0.7349 -0.0164 -0.0974 -0.0393 257 ARG a CB +27068 C CB B ARG S 257 ? 0.9331 0.7863 0.7335 -0.0163 -0.0975 -0.0392 257 ARG a CB +27069 C CG A ARG S 257 ? 1.0911 0.9411 0.8838 -0.0136 -0.1008 -0.0403 257 ARG a CG +27070 C CG B ARG S 257 ? 1.0911 0.9416 0.8843 -0.0137 -0.1010 -0.0404 257 ARG a CG +27071 C CD A ARG S 257 ? 1.1224 0.9785 0.9193 -0.0128 -0.1046 -0.0410 257 ARG a CD +27072 C CD B ARG S 257 ? 1.1223 0.9787 0.9195 -0.0128 -0.1047 -0.0411 257 ARG a CD +27073 N NE A ARG S 257 ? 1.1815 1.0346 0.9711 -0.0102 -0.1082 -0.0423 257 ARG a NE +27074 N NE B ARG S 257 ? 1.1805 1.0338 0.9703 -0.0102 -0.1083 -0.0423 257 ARG a NE +27075 C CZ A ARG S 257 ? 1.1992 1.0492 0.9821 -0.0065 -0.1076 -0.0403 257 ARG a CZ +27076 C CZ B ARG S 257 ? 1.1972 1.0471 0.9800 -0.0065 -0.1077 -0.0404 257 ARG a CZ +27077 N NH1 A ARG S 257 ? 1.1765 1.0262 0.9594 -0.0049 -0.1038 -0.0371 257 ARG a NH1 +27078 N NH1 B ARG S 257 ? 1.1758 1.0252 0.9584 -0.0049 -0.1037 -0.0372 257 ARG a NH1 +27079 N NH2 A ARG S 257 ? 1.2948 1.1417 1.0708 -0.0043 -0.1111 -0.0417 257 ARG a NH2 +27080 N NH2 B ARG S 257 ? 1.2931 1.1399 1.0689 -0.0044 -0.1112 -0.0418 257 ARG a NH2 +27081 N N A LEU S 258 ? 0.9695 0.8200 0.7748 -0.0191 -0.0873 -0.0352 258 LEU a N +27082 N N B LEU S 258 ? 0.9686 0.8196 0.7743 -0.0191 -0.0874 -0.0351 258 LEU a N +27083 C CA A LEU S 258 ? 1.0051 0.8576 0.8166 -0.0218 -0.0846 -0.0345 258 LEU a CA +27084 C CA B LEU S 258 ? 1.0053 0.8583 0.8173 -0.0219 -0.0847 -0.0345 258 LEU a CA +27085 C C A LEU S 258 ? 1.0034 0.8501 0.8113 -0.0235 -0.0832 -0.0356 258 LEU a C +27086 C C B LEU S 258 ? 1.0034 0.8505 0.8117 -0.0235 -0.0832 -0.0355 258 LEU a C +27087 O O A LEU S 258 ? 0.9133 0.7611 0.7256 -0.0269 -0.0833 -0.0371 258 LEU a O +27088 O O B LEU S 258 ? 0.9064 0.7546 0.7192 -0.0269 -0.0831 -0.0369 258 LEU a O +27089 C CB A LEU S 258 ? 0.9352 0.7895 0.7488 -0.0202 -0.0809 -0.0312 258 LEU a CB +27090 C CB B LEU S 258 ? 0.9332 0.7881 0.7474 -0.0202 -0.0810 -0.0312 258 LEU a CB +27091 C CG A LEU S 258 ? 0.9300 0.7866 0.7500 -0.0228 -0.0781 -0.0304 258 LEU a CG +27092 C CG B LEU S 258 ? 0.9300 0.7870 0.7505 -0.0228 -0.0782 -0.0304 258 LEU a CG +27093 C CD1 A LEU S 258 ? 0.7926 0.6553 0.6207 -0.0258 -0.0802 -0.0320 258 LEU a CD1 +27094 C CD1 B LEU S 258 ? 0.7911 0.6543 0.6197 -0.0258 -0.0803 -0.0320 258 LEU a CD1 +27095 C CD2 A LEU S 258 ? 0.9139 0.7717 0.7353 -0.0209 -0.0745 -0.0272 258 LEU a CD2 +27096 C CD2 B LEU S 258 ? 0.9136 0.7719 0.7355 -0.0210 -0.0746 -0.0272 258 LEU a CD2 +27097 N N A ILE S 259 ? 0.8961 0.7366 0.6961 -0.0212 -0.0817 -0.0349 259 ILE a N +27098 N N B ILE S 259 ? 0.8918 0.7327 0.6920 -0.0212 -0.0819 -0.0350 259 ILE a N +27099 C CA A ILE S 259 ? 1.0255 0.8597 0.8208 -0.0222 -0.0806 -0.0361 259 ILE a CA +27100 C CA B ILE S 259 ? 1.0255 0.8600 0.8209 -0.0222 -0.0808 -0.0361 259 ILE a CA +27101 C C A ILE S 259 ? 1.1037 0.9340 0.8927 -0.0219 -0.0841 -0.0388 259 ILE a C +27102 C C B ILE S 259 ? 1.1037 0.9344 0.8930 -0.0219 -0.0844 -0.0388 259 ILE a C +27103 O O A ILE S 259 ? 1.0797 0.9118 0.8714 -0.0245 -0.0874 -0.0414 259 ILE a O +27104 O O B ILE S 259 ? 1.0702 0.9032 0.8623 -0.0242 -0.0878 -0.0413 259 ILE a O +27105 C CB A ILE S 259 ? 1.1222 0.9519 0.9128 -0.0198 -0.0765 -0.0337 259 ILE a CB +27106 C CB B ILE S 259 ? 1.1228 0.9529 0.9136 -0.0198 -0.0767 -0.0337 259 ILE a CB +27107 C CG1 A ILE S 259 ? 1.0234 0.8577 0.8200 -0.0194 -0.0735 -0.0309 259 ILE a CG1 +27108 C CG1 B ILE S 259 ? 1.0216 0.8562 0.8183 -0.0194 -0.0737 -0.0309 259 ILE a CG1 +27109 C CG2 A ILE S 259 ? 1.1297 0.9535 0.9169 -0.0212 -0.0751 -0.0348 259 ILE a CG2 +27110 C CG2 B ILE S 259 ? 1.1282 0.9524 0.9157 -0.0212 -0.0752 -0.0348 259 ILE a CG2 +27111 C CD1 A ILE S 259 ? 1.0022 0.8401 0.8066 -0.0229 -0.0727 -0.0311 259 ILE a CD1 +27112 C CD1 B ILE S 259 ? 1.0021 0.8402 0.8064 -0.0228 -0.0729 -0.0311 259 ILE a CD1 +27113 N N A PHE S 260 ? 1.1059 0.9307 0.8865 -0.0189 -0.0835 -0.0382 260 PHE a N +27114 N N B PHE S 260 ? 1.1057 0.9305 0.8864 -0.0190 -0.0836 -0.0383 260 PHE a N +27115 C CA A PHE S 260 ? 1.1914 1.0128 0.9654 -0.0177 -0.0869 -0.0403 260 PHE a CA +27116 C CA B PHE S 260 ? 1.1920 1.0133 0.9659 -0.0177 -0.0869 -0.0404 260 PHE a CA +27117 C C A PHE S 260 ? 1.1589 0.9778 0.9263 -0.0135 -0.0857 -0.0383 260 PHE a C +27118 C C B PHE S 260 ? 1.1569 0.9760 0.9245 -0.0135 -0.0857 -0.0383 260 PHE a C +27119 O O A PHE S 260 ? 1.1283 0.9473 0.8959 -0.0118 -0.0820 -0.0356 260 PHE a O +27120 O O B PHE S 260 ? 1.1254 0.9447 0.8933 -0.0119 -0.0820 -0.0356 260 PHE a O +27121 C CB A PHE S 260 ? 1.0469 0.8618 0.8158 -0.0193 -0.0874 -0.0427 260 PHE a CB +27122 C CB B PHE S 260 ? 1.0422 0.8569 0.8107 -0.0191 -0.0874 -0.0427 260 PHE a CB +27123 C CG A PHE S 260 ? 1.3132 1.1231 1.0792 -0.0188 -0.0833 -0.0414 260 PHE a CG +27124 C CG B PHE S 260 ? 1.3140 1.1239 1.0799 -0.0188 -0.0832 -0.0413 260 PHE a CG +27125 C CD1 A PHE S 260 ? 1.3915 1.2023 1.1628 -0.0217 -0.0813 -0.0413 260 PHE a CD1 +27126 C CD1 B PHE S 260 ? 1.3929 1.2038 1.1643 -0.0217 -0.0814 -0.0412 260 PHE a CD1 +27127 C CD2 A PHE S 260 ? 1.3924 1.1968 1.1502 -0.0155 -0.0813 -0.0403 260 PHE a CD2 +27128 C CD2 B PHE S 260 ? 1.3924 1.1968 1.1503 -0.0154 -0.0811 -0.0402 260 PHE a CD2 +27129 C CE1 A PHE S 260 ? 1.4026 1.2087 1.1711 -0.0211 -0.0777 -0.0400 260 PHE a CE1 +27130 C CE1 B PHE S 260 ? 1.4016 1.2081 1.1705 -0.0211 -0.0777 -0.0400 260 PHE a CE1 +27131 C CE2 A PHE S 260 ? 1.5076 1.3077 1.2630 -0.0149 -0.0776 -0.0391 260 PHE a CE2 +27132 C CE2 B PHE S 260 ? 1.5083 1.3086 1.2640 -0.0149 -0.0774 -0.0390 260 PHE a CE2 +27133 C CZ A PHE S 260 ? 1.5003 1.3013 1.2611 -0.0176 -0.0758 -0.0390 260 PHE a CZ +27134 C CZ B PHE S 260 ? 1.4999 1.3012 1.2611 -0.0177 -0.0757 -0.0389 260 PHE a CZ +27135 N N A GLN S 261 ? 1.2982 1.1152 1.0600 -0.0119 -0.0889 -0.0397 261 GLN a N +27136 N N B GLN S 261 ? 1.2985 1.1157 1.0604 -0.0118 -0.0889 -0.0396 261 GLN a N +27137 C CA A GLN S 261 ? 1.3053 1.1214 1.0620 -0.0080 -0.0883 -0.0378 261 GLN a CA +27138 C CA B GLN S 261 ? 1.3042 1.1205 1.0612 -0.0080 -0.0882 -0.0377 261 GLN a CA +27139 C C A GLN S 261 ? 1.3762 1.1872 1.1272 -0.0057 -0.0840 -0.0357 261 GLN a C +27140 C C B GLN S 261 ? 1.3755 1.1867 1.1267 -0.0057 -0.0839 -0.0356 261 GLN a C +27141 O O A GLN S 261 ? 1.3512 1.1631 1.1012 -0.0032 -0.0817 -0.0331 261 GLN a O +27142 O O B GLN S 261 ? 1.3493 1.1615 1.0997 -0.0032 -0.0816 -0.0330 261 GLN a O +27143 C CB A GLN S 261 ? 1.4242 1.2379 1.1747 -0.0066 -0.0925 -0.0398 261 GLN a CB +27144 C CB B GLN S 261 ? 1.4239 1.2378 1.1745 -0.0065 -0.0924 -0.0397 261 GLN a CB +27145 C CG A GLN S 261 ? 1.4500 1.2633 1.1957 -0.0028 -0.0922 -0.0378 261 GLN a CG +27146 C CG B GLN S 261 ? 1.4496 1.2629 1.1953 -0.0027 -0.0920 -0.0377 261 GLN a CG +27147 C CD A GLN S 261 ? 1.5242 1.3316 1.2599 -0.0005 -0.0945 -0.0392 261 GLN a CD +27148 C CD B GLN S 261 ? 1.5242 1.3318 1.2601 -0.0005 -0.0946 -0.0392 261 GLN a CD +27149 O OE1 A GLN S 261 ? 1.5965 1.4022 1.3302 -0.0018 -0.0981 -0.0422 261 GLN a OE1 +27150 O OE1 B GLN S 261 ? 1.5962 1.4024 1.3305 -0.0019 -0.0983 -0.0422 261 GLN a OE1 +27151 N NE2 A GLN S 261 ? 1.5271 1.3312 1.2562 0.0029 -0.0924 -0.0371 261 GLN a NE2 +27152 N NE2 B GLN S 261 ? 1.5271 1.3313 1.2562 0.0030 -0.0927 -0.0372 261 GLN a NE2 +27153 N N A TYR S 262 ? 1.3794 1.1851 1.1266 -0.0064 -0.0827 -0.0368 262 TYR a N +27154 N N B TYR S 262 ? 1.3783 1.1841 1.1255 -0.0064 -0.0827 -0.0367 262 TYR a N +27155 C CA A TYR S 262 ? 1.4756 1.2759 1.2163 -0.0039 -0.0790 -0.0353 262 TYR a CA +27156 C CA B TYR S 262 ? 1.4754 1.2759 1.2161 -0.0038 -0.0790 -0.0352 262 TYR a CA +27157 C C A TYR S 262 ? 1.4188 1.2203 1.1639 -0.0044 -0.0747 -0.0332 262 TYR a C +27158 C C B TYR S 262 ? 1.4168 1.2185 1.1620 -0.0043 -0.0746 -0.0331 262 TYR a C +27159 O O A TYR S 262 ? 1.4933 1.2908 1.2337 -0.0024 -0.0714 -0.0319 262 TYR a O +27160 O O B TYR S 262 ? 1.4913 1.2891 1.2319 -0.0023 -0.0714 -0.0318 262 TYR a O +27161 C CB A TYR S 262 ? 1.5466 1.3397 1.2794 -0.0038 -0.0802 -0.0377 262 TYR a CB +27162 C CB B TYR S 262 ? 1.5449 1.3381 1.2777 -0.0037 -0.0802 -0.0376 262 TYR a CB +27163 C CG A TYR S 262 ? 1.5850 1.3767 1.3130 -0.0032 -0.0847 -0.0399 262 TYR a CG +27164 C CG B TYR S 262 ? 1.5831 1.3749 1.3112 -0.0031 -0.0846 -0.0398 262 TYR a CG +27165 C CD1 A TYR S 262 ? 1.6201 1.4138 1.3514 -0.0060 -0.0888 -0.0427 262 TYR a CD1 +27166 C CD1 B TYR S 262 ? 1.6201 1.4136 1.3512 -0.0060 -0.0887 -0.0427 262 TYR a CD1 +27167 C CD2 A TYR S 262 ? 1.6323 1.4210 1.3527 0.0003 -0.0848 -0.0391 262 TYR a CD2 +27168 C CD2 B TYR S 262 ? 1.6313 1.4204 1.3520 0.0004 -0.0847 -0.0390 262 TYR a CD2 +27169 C CE1 A TYR S 262 ? 1.7004 1.4931 1.4275 -0.0054 -0.0931 -0.0448 262 TYR a CE1 +27170 C CE1 B TYR S 262 ? 1.7014 1.4940 1.4283 -0.0053 -0.0931 -0.0447 262 TYR a CE1 +27171 C CE2 A TYR S 262 ? 1.6623 1.4497 1.3781 0.0011 -0.0890 -0.0410 262 TYR a CE2 +27172 C CE2 B TYR S 262 ? 1.6609 1.4486 1.3770 0.0011 -0.0890 -0.0409 262 TYR a CE2 +27173 C CZ A TYR S 262 ? 1.7314 1.5209 1.4506 -0.0017 -0.0933 -0.0439 262 TYR a CZ +27174 C CZ B TYR S 262 ? 1.7316 1.5212 1.4509 -0.0017 -0.0932 -0.0438 262 TYR a CZ +27175 O OH A TYR S 262 ? 1.8130 1.6014 1.5277 -0.0009 -0.0977 -0.0460 262 TYR a OH +27176 O OH B TYR S 262 ? 1.8141 1.6025 1.5288 -0.0008 -0.0977 -0.0459 262 TYR a OH +27177 N N A ALA S 263 ? 1.5414 1.3485 1.2954 -0.0069 -0.0745 -0.0327 263 ALA a N +27178 N N B ALA S 263 ? 1.5418 1.3490 1.2958 -0.0069 -0.0746 -0.0327 263 ALA a N +27179 C CA A ALA S 263 ? 1.5950 1.4042 1.3536 -0.0071 -0.0706 -0.0304 263 ALA a CA +27180 C CA B ALA S 263 ? 1.5966 1.4059 1.3554 -0.0071 -0.0706 -0.0304 263 ALA a CA +27181 C C A ALA S 263 ? 1.4934 1.3076 1.2555 -0.0055 -0.0691 -0.0277 263 ALA a C +27182 C C B ALA S 263 ? 1.4931 1.3074 1.2554 -0.0055 -0.0692 -0.0277 263 ALA a C +27183 O O A ALA S 263 ? 1.5118 1.3286 1.2785 -0.0056 -0.0661 -0.0257 263 ALA a O +27184 O O B ALA S 263 ? 1.5130 1.3301 1.2802 -0.0058 -0.0662 -0.0257 263 ALA a O +27185 C CB A ALA S 263 ? 1.4509 1.2630 1.2169 -0.0108 -0.0709 -0.0313 263 ALA a CB +27186 C CB B ALA S 263 ? 1.4494 1.2615 1.2155 -0.0108 -0.0710 -0.0313 263 ALA a CB +27187 N N A SER S 264 ? 1.4156 1.2308 1.1754 -0.0038 -0.0713 -0.0276 264 SER a N +27188 N N B SER S 264 ? 1.4151 1.2305 1.1750 -0.0038 -0.0713 -0.0276 264 SER a N +27189 C CA A SER S 264 ? 1.3921 1.2120 1.1552 -0.0025 -0.0704 -0.0252 264 SER a CA +27190 C CA B SER S 264 ? 1.3926 1.2125 1.1557 -0.0025 -0.0704 -0.0252 264 SER a CA +27191 C C A SER S 264 ? 1.3646 1.1809 1.1203 0.0010 -0.0686 -0.0237 264 SER a C +27192 C C B SER S 264 ? 1.3645 1.1809 1.1202 0.0010 -0.0687 -0.0237 264 SER a C +27193 O O A SER S 264 ? 1.3238 1.1359 1.0723 0.0025 -0.0705 -0.0249 264 SER a O +27194 O O B SER S 264 ? 1.3223 1.1347 1.0709 0.0025 -0.0707 -0.0249 264 SER a O +27195 C CB A SER S 264 ? 1.2661 1.0906 1.0331 -0.0034 -0.0744 -0.0263 264 SER a CB +27196 C CB B SER S 264 ? 1.2656 1.0901 1.0326 -0.0035 -0.0744 -0.0263 264 SER a CB +27197 O OG A SER S 264 ? 1.2520 1.0806 1.0221 -0.0021 -0.0735 -0.0240 264 SER a OG +27198 O OG B SER S 264 ? 1.2531 1.0817 1.0230 -0.0021 -0.0736 -0.0241 264 SER a OG +27199 N N A PHE S 265 ? 1.4397 1.2578 1.1973 0.0023 -0.0649 -0.0209 265 PHE a N +27200 N N B PHE S 265 ? 1.4418 1.2597 1.1992 0.0023 -0.0649 -0.0210 265 PHE a N +27201 C CA A PHE S 265 ? 1.3858 1.2013 1.1372 0.0054 -0.0629 -0.0192 265 PHE a CA +27202 C CA B PHE S 265 ? 1.3869 1.2022 1.1381 0.0054 -0.0629 -0.0192 265 PHE a CA +27203 C C A PHE S 265 ? 1.3938 1.2111 1.1442 0.0065 -0.0655 -0.0188 265 PHE a C +27204 C C B PHE S 265 ? 1.3953 1.2124 1.1454 0.0066 -0.0655 -0.0189 265 PHE a C +27205 O O A PHE S 265 ? 1.4168 1.2394 1.1738 0.0053 -0.0669 -0.0184 265 PHE a O +27206 O O B PHE S 265 ? 1.4273 1.2495 1.1837 0.0053 -0.0673 -0.0188 265 PHE a O +27207 C CB A PHE S 265 ? 1.2865 1.1041 1.0411 0.0061 -0.0584 -0.0164 265 PHE a CB +27208 C CB B PHE S 265 ? 1.2874 1.1049 1.0419 0.0061 -0.0585 -0.0165 265 PHE a CB +27209 C CG A PHE S 265 ? 1.2506 1.0661 1.0054 0.0057 -0.0555 -0.0164 265 PHE a CG +27210 C CG B PHE S 265 ? 1.2515 1.0670 1.0063 0.0057 -0.0555 -0.0164 265 PHE a CG +27211 C CD1 A PHE S 265 ? 1.2274 1.0382 0.9756 0.0080 -0.0529 -0.0160 265 PHE a CD1 +27212 C CD1 B PHE S 265 ? 1.2291 1.0397 0.9772 0.0079 -0.0530 -0.0161 265 PHE a CD1 +27213 C CD2 A PHE S 265 ? 1.2107 1.0290 0.9724 0.0032 -0.0552 -0.0168 265 PHE a CD2 +27214 C CD2 B PHE S 265 ? 1.2100 1.0284 0.9718 0.0032 -0.0551 -0.0167 265 PHE a CD2 +27215 C CE1 A PHE S 265 ? 1.1829 0.9918 0.9313 0.0078 -0.0502 -0.0160 265 PHE a CE1 +27216 C CE1 B PHE S 265 ? 1.1841 0.9928 0.9323 0.0078 -0.0503 -0.0160 265 PHE a CE1 +27217 C CE2 A PHE S 265 ? 1.1784 0.9946 0.9400 0.0030 -0.0526 -0.0167 265 PHE a CE2 +27218 C CE2 B PHE S 265 ? 1.1776 0.9939 0.9394 0.0031 -0.0525 -0.0165 265 PHE a CE2 +27219 C CZ A PHE S 265 ? 1.1327 0.9442 0.8877 0.0054 -0.0502 -0.0163 265 PHE a CZ +27220 C CZ B PHE S 265 ? 1.1323 0.9439 0.8874 0.0054 -0.0501 -0.0162 265 PHE a CZ +27221 N N A ASN S 266 ? 1.2117 1.0246 0.9537 0.0091 -0.0659 -0.0189 266 ASN a N +27222 N N B ASN S 266 ? 1.2087 1.0214 0.9504 0.0092 -0.0657 -0.0188 266 ASN a N +27223 C CA A ASN S 266 ? 1.3195 1.1337 1.0599 0.0108 -0.0670 -0.0176 266 ASN a CA +27224 C CA B ASN S 266 ? 1.3210 1.1348 1.0609 0.0109 -0.0670 -0.0176 266 ASN a CA +27225 C C A ASN S 266 ? 1.2069 1.0181 0.9416 0.0135 -0.0633 -0.0152 266 ASN a C +27226 C C B ASN S 266 ? 1.2078 1.0186 0.9418 0.0137 -0.0634 -0.0153 266 ASN a C +27227 O O A ASN S 266 ? 1.2518 1.0637 0.9850 0.0150 -0.0636 -0.0138 266 ASN a O +27228 O O B ASN S 266 ? 1.2545 1.0655 0.9863 0.0153 -0.0640 -0.0141 266 ASN a O +27229 C CB A ASN S 266 ? 1.3781 1.1903 1.1138 0.0114 -0.0718 -0.0198 266 ASN a CB +27230 C CB B ASN S 266 ? 1.3795 1.1914 1.1150 0.0113 -0.0718 -0.0200 266 ASN a CB +27231 C CG A ASN S 266 ? 1.3481 1.1534 1.0739 0.0132 -0.0718 -0.0209 266 ASN a CG +27232 C CG B ASN S 266 ? 1.3482 1.1532 1.0738 0.0131 -0.0720 -0.0211 266 ASN a CG +27233 O OD1 A ASN S 266 ? 1.4328 1.2348 1.1558 0.0135 -0.0688 -0.0207 266 ASN a OD1 +27234 O OD1 B ASN S 266 ? 1.4534 1.2552 1.1766 0.0131 -0.0693 -0.0212 266 ASN a OD1 +27235 N ND2 A ASN S 266 ? 1.5102 1.3132 1.2303 0.0146 -0.0754 -0.0222 266 ASN a ND2 +27236 N ND2 B ASN S 266 ? 1.5138 1.3164 1.2334 0.0147 -0.0752 -0.0221 266 ASN a ND2 +27237 N N A ASN S 267 ? 0.9998 0.8078 0.7316 0.0142 -0.0598 -0.0147 267 ASN a N +27238 N N B ASN S 267 ? 0.9966 0.8043 0.7279 0.0143 -0.0598 -0.0147 267 ASN a N +27239 C CA A ASN S 267 ? 0.9995 0.8057 0.7275 0.0164 -0.0557 -0.0124 267 ASN a CA +27240 C CA B ASN S 267 ? 1.0000 0.8060 0.7276 0.0165 -0.0557 -0.0123 267 ASN a CA +27241 C C A ASN S 267 ? 0.9797 0.7910 0.7157 0.0153 -0.0525 -0.0102 267 ASN a C +27242 C C B ASN S 267 ? 0.9808 0.7919 0.7164 0.0154 -0.0525 -0.0102 267 ASN a C +27243 O O A ASN S 267 ? 0.9429 0.7553 0.6830 0.0140 -0.0508 -0.0105 267 ASN a O +27244 O O B ASN S 267 ? 0.9427 0.7550 0.6825 0.0141 -0.0508 -0.0105 267 ASN a O +27245 C CB A ASN S 267 ? 0.9246 0.7251 0.6454 0.0178 -0.0535 -0.0130 267 ASN a CB +27246 C CB B ASN S 267 ? 0.9228 0.7232 0.6432 0.0180 -0.0535 -0.0129 267 ASN a CB +27247 C CG A ASN S 267 ? 0.9908 0.7896 0.7075 0.0202 -0.0492 -0.0107 267 ASN a CG +27248 C CG B ASN S 267 ? 0.9922 0.7909 0.7085 0.0203 -0.0491 -0.0106 267 ASN a CG +27249 O OD1 A ASN S 267 ? 0.9322 0.7347 0.6535 0.0201 -0.0466 -0.0084 267 ASN a OD1 +27250 O OD1 B ASN S 267 ? 0.9326 0.7350 0.6537 0.0202 -0.0465 -0.0083 267 ASN a OD1 +27251 N ND2 A ASN S 267 ? 0.9564 0.7493 0.6641 0.0223 -0.0483 -0.0113 267 ASN a ND2 +27252 N ND2 B ASN S 267 ? 0.9526 0.7455 0.6600 0.0224 -0.0481 -0.0111 267 ASN a ND2 +27253 N N A SER S 268 ? 0.9664 0.7803 0.7041 0.0160 -0.0516 -0.0082 268 SER a N +27254 N N B SER S 268 ? 0.9673 0.7810 0.7047 0.0161 -0.0516 -0.0081 268 SER a N +27255 C CA A SER S 268 ? 0.9629 0.7818 0.7084 0.0148 -0.0489 -0.0062 268 SER a CA +27256 C CA B SER S 268 ? 0.9633 0.7820 0.7085 0.0149 -0.0490 -0.0062 268 SER a CA +27257 C C A SER S 268 ? 0.9339 0.7518 0.6789 0.0155 -0.0443 -0.0050 268 SER a C +27258 C C B SER S 268 ? 0.9350 0.7529 0.6799 0.0156 -0.0443 -0.0050 268 SER a C +27259 O O A SER S 268 ? 0.8763 0.6980 0.6280 0.0142 -0.0423 -0.0041 268 SER a O +27260 O O B SER S 268 ? 0.8768 0.6984 0.6284 0.0143 -0.0424 -0.0041 268 SER a O +27261 C CB A SER S 268 ? 0.9405 0.7616 0.6870 0.0156 -0.0490 -0.0043 268 SER a CB +27262 C CB B SER S 268 ? 0.9396 0.7606 0.6858 0.0156 -0.0490 -0.0043 268 SER a CB +27263 O OG A SER S 268 ? 1.0431 0.8689 0.7969 0.0145 -0.0465 -0.0025 268 SER a OG +27264 O OG B SER S 268 ? 1.0458 0.8718 0.7999 0.0144 -0.0469 -0.0026 268 SER a OG +27265 N N A ARG S 269 ? 0.9251 0.7381 0.6621 0.0177 -0.0425 -0.0049 269 ARG a N +27266 N N B ARG S 269 ? 0.9260 0.7390 0.6630 0.0177 -0.0425 -0.0048 269 ARG a N +27267 C CA A ARG S 269 ? 0.8732 0.6855 0.6097 0.0186 -0.0381 -0.0038 269 ARG a CA +27268 C CA B ARG S 269 ? 0.8717 0.6841 0.6083 0.0185 -0.0381 -0.0038 269 ARG a CA +27269 C C A ARG S 269 ? 0.9862 0.7978 0.7247 0.0176 -0.0380 -0.0054 269 ARG a C +27270 C C B ARG S 269 ? 0.9896 0.8012 0.7280 0.0176 -0.0380 -0.0054 269 ARG a C +27271 O O A ARG S 269 ? 0.9470 0.7610 0.6900 0.0171 -0.0351 -0.0045 269 ARG a O +27272 O O B ARG S 269 ? 0.9515 0.7650 0.6938 0.0173 -0.0350 -0.0045 269 ARG a O +27273 C CB A ARG S 269 ? 0.8867 0.6940 0.6141 0.0212 -0.0361 -0.0033 269 ARG a CB +27274 C CB B ARG S 269 ? 0.8861 0.6935 0.6137 0.0212 -0.0360 -0.0032 269 ARG a CB +27275 C CG A ARG S 269 ? 0.8827 0.6899 0.6076 0.0222 -0.0361 -0.0016 269 ARG a CG +27276 C CG B ARG S 269 ? 0.8786 0.6862 0.6040 0.0221 -0.0357 -0.0014 269 ARG a CG +27277 C CD A ARG S 269 ? 0.9292 0.7320 0.6458 0.0246 -0.0331 -0.0006 269 ARG a CD +27278 C CD B ARG S 269 ? 0.9292 0.7323 0.6463 0.0246 -0.0329 -0.0005 269 ARG a CD +27279 N NE A ARG S 269 ? 0.9047 0.7085 0.6209 0.0252 -0.0318 0.0016 269 ARG a NE +27280 N NE B ARG S 269 ? 0.9046 0.7087 0.6212 0.0252 -0.0315 0.0018 269 ARG a NE +27281 C CZ A ARG S 269 ? 0.8995 0.7007 0.6103 0.0269 -0.0284 0.0031 269 ARG a CZ +27282 C CZ B ARG S 269 ? 0.8993 0.7006 0.6102 0.0269 -0.0281 0.0033 269 ARG a CZ +27283 N NH1 A ARG S 269 ? 0.9202 0.7174 0.6249 0.0285 -0.0261 0.0026 269 ARG a NH1 +27284 N NH1 B ARG S 269 ? 0.9201 0.7176 0.6252 0.0284 -0.0258 0.0027 269 ARG a NH1 +27285 N NH2 A ARG S 269 ? 0.9015 0.7040 0.6129 0.0270 -0.0272 0.0052 269 ARG a NH2 +27286 N NH2 B ARG S 269 ? 0.9012 0.7037 0.6125 0.0271 -0.0268 0.0054 269 ARG a NH2 +27287 N N A SER S 270 ? 0.8223 0.6306 0.5572 0.0172 -0.0411 -0.0078 270 SER a N +27288 N N B SER S 270 ? 0.8172 0.6258 0.5525 0.0171 -0.0413 -0.0078 270 SER a N +27289 C CA A SER S 270 ? 0.8739 0.6812 0.6105 0.0160 -0.0413 -0.0093 270 SER a CA +27290 C CA B SER S 270 ? 0.8738 0.6814 0.6109 0.0158 -0.0416 -0.0094 270 SER a CA +27291 C C A SER S 270 ? 0.8839 0.6965 0.6299 0.0134 -0.0419 -0.0092 270 SER a C +27292 C C B SER S 270 ? 0.8825 0.6955 0.6290 0.0133 -0.0420 -0.0091 270 SER a C +27293 O O A SER S 270 ? 0.8051 0.6186 0.5546 0.0128 -0.0400 -0.0091 270 SER a O +27294 O O B SER S 270 ? 0.8046 0.6183 0.5545 0.0127 -0.0400 -0.0090 270 SER a O +27295 C CB A SER S 270 ? 0.8491 0.6518 0.5802 0.0159 -0.0448 -0.0120 270 SER a CB +27296 C CB B SER S 270 ? 0.8204 0.6240 0.5528 0.0154 -0.0455 -0.0121 270 SER a CB +27297 O OG A SER S 270 ? 1.0392 0.8367 0.7611 0.0184 -0.0442 -0.0123 270 SER a OG +27298 O OG B SER S 270 ? 1.0355 0.8334 0.7586 0.0177 -0.0449 -0.0127 270 SER a OG +27299 N N A LEU S 271 ? 0.8423 0.6585 0.5925 0.0121 -0.0446 -0.0091 271 LEU a N +27300 N N B LEU S 271 ? 0.8381 0.6547 0.5889 0.0119 -0.0446 -0.0091 271 LEU a N +27301 C CA A LEU S 271 ? 0.9316 0.7529 0.6906 0.0096 -0.0453 -0.0089 271 LEU a CA +27302 C CA B LEU S 271 ? 0.9362 0.7580 0.6959 0.0095 -0.0452 -0.0088 271 LEU a CA +27303 C C A LEU S 271 ? 0.8759 0.7007 0.6399 0.0097 -0.0414 -0.0067 271 LEU a C +27304 C C B LEU S 271 ? 0.8752 0.7002 0.6396 0.0097 -0.0413 -0.0066 271 LEU a C +27305 O O A LEU S 271 ? 0.7993 0.6259 0.5682 0.0084 -0.0404 -0.0067 271 LEU a O +27306 O O B LEU S 271 ? 0.7979 0.6244 0.5668 0.0084 -0.0402 -0.0066 271 LEU a O +27307 C CB A LEU S 271 ? 0.9204 0.7449 0.6823 0.0087 -0.0485 -0.0091 271 LEU a CB +27308 C CB B LEU S 271 ? 0.9197 0.7448 0.6823 0.0087 -0.0483 -0.0088 271 LEU a CB +27309 C CG A LEU S 271 ? 0.9524 0.7828 0.7237 0.0064 -0.0488 -0.0085 271 LEU a CG +27310 C CG B LEU S 271 ? 0.9462 0.7771 0.7180 0.0064 -0.0488 -0.0083 271 LEU a CG +27311 C CD1 A LEU S 271 ? 0.9985 0.8289 0.7730 0.0041 -0.0499 -0.0103 271 LEU a CD1 +27312 C CD1 B LEU S 271 ? 0.9974 0.8283 0.7723 0.0041 -0.0500 -0.0102 271 LEU a CD1 +27313 C CD2 A LEU S 271 ? 0.9506 0.7842 0.7243 0.0060 -0.0516 -0.0084 271 LEU a CD2 +27314 C CD2 B LEU S 271 ? 0.9509 0.7847 0.7246 0.0061 -0.0518 -0.0083 271 LEU a CD2 +27315 N N A HIS S 272 ? 0.8124 0.6381 0.5753 0.0112 -0.0394 -0.0047 272 HIS a N +27316 N N B HIS S 272 ? 0.8106 0.6367 0.5740 0.0111 -0.0393 -0.0046 272 HIS a N +27317 C CA A HIS S 272 ? 0.8058 0.6352 0.5737 0.0112 -0.0359 -0.0026 272 HIS a CA +27318 C CA B HIS S 272 ? 0.8051 0.6347 0.5734 0.0111 -0.0358 -0.0025 272 HIS a CA +27319 C C A HIS S 272 ? 0.8831 0.7105 0.6492 0.0123 -0.0326 -0.0024 272 HIS a C +27320 C C B HIS S 272 ? 0.8854 0.7131 0.6520 0.0122 -0.0326 -0.0024 272 HIS a C +27321 O O A HIS S 272 ? 0.7859 0.6165 0.5575 0.0117 -0.0304 -0.0014 272 HIS a O +27322 O O B HIS S 272 ? 0.7850 0.6158 0.5570 0.0116 -0.0304 -0.0014 272 HIS a O +27323 C CB A HIS S 272 ? 0.6933 0.5239 0.4602 0.0123 -0.0347 -0.0006 272 HIS a CB +27324 C CB B HIS S 272 ? 0.6896 0.5204 0.4569 0.0123 -0.0345 -0.0005 272 HIS a CB +27325 C CG A HIS S 272 ? 0.8107 0.6445 0.5814 0.0112 -0.0374 -0.0003 272 HIS a CG +27326 C CG B HIS S 272 ? 0.8114 0.6453 0.5822 0.0112 -0.0373 -0.0002 272 HIS a CG +27327 N ND1 A HIS S 272 ? 0.8698 0.7017 0.6365 0.0116 -0.0407 -0.0013 272 HIS a ND1 +27328 N ND1 B HIS S 272 ? 0.8714 0.7033 0.6380 0.0117 -0.0405 -0.0012 272 HIS a ND1 +27329 C CD2 A HIS S 272 ? 0.7963 0.6351 0.5744 0.0096 -0.0374 0.0007 272 HIS a CD2 +27330 C CD2 B HIS S 272 ? 0.7965 0.6355 0.5748 0.0096 -0.0374 0.0007 272 HIS a CD2 +27331 C CE1 A HIS S 272 ? 0.7635 0.5991 0.5351 0.0105 -0.0426 -0.0009 272 HIS a CE1 +27332 C CE1 B HIS S 272 ? 0.7616 0.5973 0.5331 0.0106 -0.0424 -0.0008 272 HIS a CE1 +27333 N NE2 A HIS S 272 ? 0.8159 0.6558 0.5945 0.0093 -0.0406 0.0003 272 HIS a NE2 +27334 N NE2 B HIS S 272 ? 0.8175 0.6573 0.5959 0.0093 -0.0405 0.0004 272 HIS a NE2 +27335 N N A PHE S 273 ? 0.8299 0.6522 0.5887 0.0139 -0.0323 -0.0035 273 PHE a N +27336 N N B PHE S 273 ? 0.8297 0.6522 0.5888 0.0139 -0.0323 -0.0034 273 PHE a N +27337 C CA A PHE S 273 ? 0.8585 0.6788 0.6158 0.0150 -0.0296 -0.0036 273 PHE a CA +27338 C CA B PHE S 273 ? 0.8586 0.6791 0.6162 0.0149 -0.0295 -0.0036 273 PHE a CA +27339 C C A PHE S 273 ? 0.8803 0.7010 0.6417 0.0132 -0.0307 -0.0050 273 PHE a C +27340 C C B PHE S 273 ? 0.8817 0.7025 0.6433 0.0132 -0.0307 -0.0049 273 PHE a C +27341 O O A PHE S 273 ? 0.8118 0.6336 0.5761 0.0134 -0.0283 -0.0044 273 PHE a O +27342 O O B PHE S 273 ? 0.8124 0.6343 0.5769 0.0133 -0.0283 -0.0044 273 PHE a O +27343 C CB A PHE S 273 ? 0.8291 0.6435 0.5774 0.0171 -0.0292 -0.0047 273 PHE a CB +27344 C CB B PHE S 273 ? 0.8278 0.6423 0.5763 0.0171 -0.0293 -0.0047 273 PHE a CB +27345 C CG A PHE S 273 ? 0.8422 0.6540 0.5887 0.0182 -0.0269 -0.0053 273 PHE a CG +27346 C CG B PHE S 273 ? 0.8415 0.6534 0.5882 0.0182 -0.0269 -0.0053 273 PHE a CG +27347 C CD1 A PHE S 273 ? 0.8188 0.6327 0.5675 0.0194 -0.0229 -0.0038 273 PHE a CD1 +27348 C CD1 B PHE S 273 ? 0.8184 0.6323 0.5669 0.0195 -0.0229 -0.0037 273 PHE a CD1 +27349 C CD2 A PHE S 273 ? 0.8612 0.6687 0.6043 0.0180 -0.0288 -0.0075 273 PHE a CD2 +27350 C CD2 B PHE S 273 ? 0.8595 0.6672 0.6030 0.0179 -0.0288 -0.0075 273 PHE a CD2 +27351 C CE1 A PHE S 273 ? 0.8459 0.6577 0.5932 0.0207 -0.0209 -0.0044 273 PHE a CE1 +27352 C CE1 B PHE S 273 ? 0.8470 0.6588 0.5941 0.0207 -0.0208 -0.0043 273 PHE a CE1 +27353 C CE2 A PHE S 273 ? 0.9229 0.7278 0.6642 0.0191 -0.0267 -0.0081 273 PHE a CE2 +27354 C CE2 B PHE S 273 ? 0.9218 0.7270 0.6635 0.0190 -0.0266 -0.0080 273 PHE a CE2 +27355 C CZ A PHE S 273 ? 0.8244 0.6315 0.5678 0.0206 -0.0227 -0.0065 273 PHE a CZ +27356 C CZ B PHE S 273 ? 0.8217 0.6291 0.5653 0.0206 -0.0227 -0.0064 273 PHE a CZ +27357 N N A PHE S 274 ? 0.8264 0.6460 0.5877 0.0116 -0.0344 -0.0068 274 PHE a N +27358 N N B PHE S 274 ? 0.8248 0.6446 0.5864 0.0115 -0.0344 -0.0067 274 PHE a N +27359 C CA A PHE S 274 ? 0.8488 0.6684 0.6138 0.0096 -0.0355 -0.0081 274 PHE a CA +27360 C CA B PHE S 274 ? 0.8502 0.6703 0.6157 0.0095 -0.0356 -0.0080 274 PHE a CA +27361 C C A PHE S 274 ? 0.8667 0.6920 0.6403 0.0080 -0.0344 -0.0066 274 PHE a C +27362 C C B PHE S 274 ? 0.8672 0.6929 0.6412 0.0079 -0.0346 -0.0066 274 PHE a C +27363 O O A PHE S 274 ? 0.8219 0.6475 0.5983 0.0075 -0.0331 -0.0066 274 PHE a O +27364 O O B PHE S 274 ? 0.8225 0.6484 0.5994 0.0073 -0.0333 -0.0066 274 PHE a O +27365 C CB A PHE S 274 ? 0.8904 0.7085 0.6542 0.0079 -0.0397 -0.0102 274 PHE a CB +27366 C CB B PHE S 274 ? 0.8902 0.7086 0.6543 0.0078 -0.0397 -0.0102 274 PHE a CB +27367 C CG A PHE S 274 ? 0.8958 0.7141 0.6636 0.0054 -0.0410 -0.0116 274 PHE a CG +27368 C CG B PHE S 274 ? 0.8971 0.7155 0.6650 0.0054 -0.0410 -0.0116 274 PHE a CG +27369 C CD1 A PHE S 274 ? 0.8880 0.7016 0.6523 0.0056 -0.0404 -0.0129 274 PHE a CD1 +27370 C CD1 B PHE S 274 ? 0.8852 0.6988 0.6493 0.0057 -0.0405 -0.0129 274 PHE a CD1 +27371 C CD2 A PHE S 274 ? 0.9050 0.7277 0.6796 0.0029 -0.0428 -0.0116 274 PHE a CD2 +27372 C CD2 B PHE S 274 ? 0.9048 0.7278 0.6797 0.0029 -0.0427 -0.0116 274 PHE a CD2 +27373 C CE1 A PHE S 274 ? 0.9470 0.7602 0.7145 0.0033 -0.0415 -0.0142 274 PHE a CE1 +27374 C CE1 B PHE S 274 ? 0.9486 0.7617 0.7157 0.0033 -0.0417 -0.0142 274 PHE a CE1 +27375 C CE2 A PHE S 274 ? 0.9159 0.7386 0.6940 0.0005 -0.0438 -0.0129 274 PHE a CE2 +27376 C CE2 B PHE S 274 ? 0.9152 0.7379 0.6933 0.0005 -0.0438 -0.0129 274 PHE a CE2 +27377 C CZ A PHE S 274 ? 0.8925 0.7103 0.6669 0.0006 -0.0432 -0.0141 274 PHE a CZ +27378 C CZ B PHE S 274 ? 0.8932 0.7110 0.6674 0.0007 -0.0432 -0.0141 274 PHE a CZ +27379 N N A LEU S 275 ? 0.8054 0.6349 0.5827 0.0074 -0.0350 -0.0054 275 LEU a N +27380 N N B LEU S 275 ? 0.8037 0.6336 0.5814 0.0073 -0.0351 -0.0053 275 LEU a N +27381 C CA A LEU S 275 ? 0.7855 0.6203 0.5707 0.0060 -0.0340 -0.0040 275 LEU a CA +27382 C CA B LEU S 275 ? 0.7849 0.6200 0.5704 0.0060 -0.0341 -0.0039 275 LEU a CA +27383 C C A LEU S 275 ? 0.7964 0.6325 0.5831 0.0073 -0.0302 -0.0024 275 LEU a C +27384 C C B LEU S 275 ? 0.7968 0.6330 0.5836 0.0073 -0.0302 -0.0023 275 LEU a C +27385 O O A LEU S 275 ? 0.7798 0.6185 0.5718 0.0063 -0.0292 -0.0019 275 LEU a O +27386 O O B LEU S 275 ? 0.7799 0.6186 0.5720 0.0063 -0.0293 -0.0019 275 LEU a O +27387 C CB A LEU S 275 ? 0.7974 0.6359 0.5853 0.0056 -0.0352 -0.0029 275 LEU a CB +27388 C CB B LEU S 275 ? 0.7964 0.6352 0.5846 0.0056 -0.0351 -0.0028 275 LEU a CB +27389 C CG A LEU S 275 ? 0.8594 0.6982 0.6476 0.0042 -0.0392 -0.0044 275 LEU a CG +27390 C CG B LEU S 275 ? 0.8611 0.7000 0.6493 0.0042 -0.0391 -0.0043 275 LEU a CG +27391 C CD1 A LEU S 275 ? 0.8590 0.7019 0.6507 0.0040 -0.0398 -0.0030 275 LEU a CD1 +27392 C CD1 B LEU S 275 ? 0.8595 0.7024 0.6510 0.0041 -0.0398 -0.0029 275 LEU a CD1 +27393 C CD2 A LEU S 275 ? 0.7756 0.6153 0.5680 0.0017 -0.0409 -0.0059 275 LEU a CD2 +27394 C CD2 B LEU S 275 ? 0.7742 0.6141 0.5666 0.0018 -0.0410 -0.0058 275 LEU a CD2 +27395 N N A ALA S 276 ? 0.8074 0.6419 0.5896 0.0096 -0.0279 -0.0015 276 ALA a N +27396 N N B ALA S 276 ? 0.8076 0.6420 0.5898 0.0096 -0.0280 -0.0015 276 ALA a N +27397 C CA A ALA S 276 ? 0.8467 0.6824 0.6302 0.0109 -0.0242 -0.0002 276 ALA a CA +27398 C CA B ALA S 276 ? 0.8480 0.6837 0.6315 0.0109 -0.0243 -0.0002 276 ALA a CA +27399 C C A ALA S 276 ? 0.8632 0.6959 0.6451 0.0115 -0.0235 -0.0014 276 ALA a C +27400 C C B ALA S 276 ? 0.8649 0.6975 0.6468 0.0114 -0.0236 -0.0014 276 ALA a C +27401 O O A ALA S 276 ? 0.8761 0.7109 0.6621 0.0114 -0.0218 -0.0008 276 ALA a O +27402 O O B ALA S 276 ? 0.8788 0.7136 0.6649 0.0113 -0.0219 -0.0008 276 ALA a O +27403 C CB A ALA S 276 ? 0.8037 0.6383 0.5828 0.0132 -0.0218 0.0009 276 ALA a CB +27404 C CB B ALA S 276 ? 0.8044 0.6388 0.5832 0.0132 -0.0219 0.0008 276 ALA a CB +27405 N N A ALA S 277 ? 0.7920 0.6194 0.5677 0.0120 -0.0250 -0.0032 277 ALA a N +27406 N N B ALA S 277 ? 0.7921 0.6195 0.5679 0.0120 -0.0250 -0.0032 277 ALA a N +27407 C CA A ALA S 277 ? 0.7343 0.5580 0.5071 0.0131 -0.0238 -0.0042 277 ALA a CA +27408 C CA B ALA S 277 ? 0.7321 0.5557 0.5049 0.0131 -0.0239 -0.0042 277 ALA a CA +27409 C C A ALA S 277 ? 0.7964 0.6204 0.5734 0.0112 -0.0250 -0.0050 277 ALA a C +27410 C C B ALA S 277 ? 0.7970 0.6211 0.5741 0.0112 -0.0249 -0.0050 277 ALA a C +27411 O O A ALA S 277 ? 0.7677 0.5913 0.5457 0.0120 -0.0231 -0.0048 277 ALA a O +27412 O O B ALA S 277 ? 0.7675 0.5912 0.5457 0.0120 -0.0230 -0.0047 277 ALA a O +27413 C CB A ALA S 277 ? 0.8134 0.6310 0.5780 0.0143 -0.0251 -0.0059 277 ALA a CB +27414 C CB B ALA S 277 ? 0.8128 0.6304 0.5774 0.0143 -0.0251 -0.0059 277 ALA a CB +27415 N N A TRP S 278 ? 0.7464 0.5713 0.5260 0.0087 -0.0280 -0.0058 278 TRP a N +27416 N N B TRP S 278 ? 0.7450 0.5698 0.5245 0.0087 -0.0280 -0.0059 278 TRP a N +27417 C CA A TRP S 278 ? 0.7888 0.6130 0.5713 0.0068 -0.0290 -0.0068 278 TRP a CA +27418 C CA B TRP S 278 ? 0.7885 0.6128 0.5711 0.0068 -0.0290 -0.0068 278 TRP a CA +27419 C C A TRP S 278 ? 0.7767 0.6048 0.5654 0.0065 -0.0270 -0.0053 278 TRP a C +27420 C C B TRP S 278 ? 0.7764 0.6047 0.5652 0.0065 -0.0270 -0.0053 278 TRP a C +27421 O O A TRP S 278 ? 0.7786 0.6046 0.5669 0.0070 -0.0259 -0.0057 278 TRP a O +27422 O O B TRP S 278 ? 0.7784 0.6045 0.5668 0.0069 -0.0259 -0.0056 278 TRP a O +27423 C CB A TRP S 278 ? 0.8024 0.6273 0.5869 0.0040 -0.0325 -0.0081 278 TRP a CB +27424 C CB B TRP S 278 ? 0.8018 0.6269 0.5864 0.0040 -0.0325 -0.0080 278 TRP a CB +27425 C CG A TRP S 278 ? 0.8898 0.7139 0.6771 0.0017 -0.0335 -0.0091 278 TRP a CG +27426 C CG B TRP S 278 ? 0.8911 0.7153 0.6785 0.0017 -0.0336 -0.0091 278 TRP a CG +27427 C CD1 A TRP S 278 ? 0.7581 0.5858 0.5518 0.0002 -0.0329 -0.0082 278 TRP a CD1 +27428 C CD1 B TRP S 278 ? 0.7561 0.5838 0.5499 0.0002 -0.0330 -0.0082 278 TRP a CD1 +27429 C CD2 A TRP S 278 ? 0.9427 0.7618 0.7264 0.0006 -0.0353 -0.0113 278 TRP a CD2 +27430 C CD2 B TRP S 278 ? 0.9443 0.7634 0.7279 0.0007 -0.0354 -0.0113 278 TRP a CD2 +27431 N NE1 A TRP S 278 ? 0.8508 0.6759 0.6449 -0.0017 -0.0340 -0.0096 278 TRP a NE1 +27432 N NE1 B TRP S 278 ? 0.8524 0.6774 0.6464 -0.0018 -0.0341 -0.0097 278 TRP a NE1 +27433 C CE2 A TRP S 278 ? 0.9018 0.7216 0.6899 -0.0016 -0.0355 -0.0115 278 TRP a CE2 +27434 C CE2 B TRP S 278 ? 0.9030 0.7226 0.6908 -0.0016 -0.0356 -0.0115 278 TRP a CE2 +27435 C CE3 A TRP S 278 ? 0.9111 0.7248 0.6880 0.0012 -0.0368 -0.0131 278 TRP a CE3 +27436 C CE3 B TRP S 278 ? 0.9101 0.7238 0.6867 0.0014 -0.0368 -0.0130 278 TRP a CE3 +27437 C CZ2 A TRP S 278 ? 0.9405 0.7558 0.7265 -0.0033 -0.0370 -0.0134 278 TRP a CZ2 +27438 C CZ2 B TRP S 278 ? 0.9415 0.7567 0.7271 -0.0032 -0.0371 -0.0135 278 TRP a CZ2 +27439 C CZ3 A TRP S 278 ? 0.9284 0.7378 0.7033 -0.0005 -0.0384 -0.0151 278 TRP a CZ3 +27440 C CZ3 B TRP S 278 ? 0.9269 0.7363 0.7014 -0.0003 -0.0384 -0.0151 278 TRP a CZ3 +27441 C CH2 A TRP S 278 ? 0.9000 0.7103 0.6795 -0.0028 -0.0384 -0.0152 278 TRP a CH2 +27442 C CH2 B TRP S 278 ? 0.8994 0.7095 0.6784 -0.0026 -0.0385 -0.0153 278 TRP a CH2 +27443 N N A PRO S 279 ? 0.8110 0.6447 0.6054 0.0057 -0.0266 -0.0037 279 PRO a N +27444 N N B PRO S 279 ? 0.8121 0.6459 0.6064 0.0058 -0.0265 -0.0037 279 PRO a N +27445 C CA A PRO S 279 ? 0.7723 0.6096 0.5723 0.0055 -0.0247 -0.0024 279 PRO a CA +27446 C CA B PRO S 279 ? 0.7729 0.6102 0.5729 0.0056 -0.0246 -0.0024 279 PRO a CA +27447 C C A PRO S 279 ? 0.7985 0.6355 0.5971 0.0081 -0.0215 -0.0015 279 PRO a C +27448 C C B PRO S 279 ? 0.7998 0.6370 0.5985 0.0082 -0.0215 -0.0014 279 PRO a C +27449 O O A PRO S 279 ? 0.7777 0.6152 0.5786 0.0085 -0.0203 -0.0012 279 PRO a O +27450 O O B PRO S 279 ? 0.7797 0.6173 0.5807 0.0085 -0.0202 -0.0012 279 PRO a O +27451 C CB A PRO S 279 ? 0.7371 0.5799 0.5426 0.0042 -0.0251 -0.0011 279 PRO a CB +27452 C CB B PRO S 279 ? 0.7357 0.5786 0.5412 0.0043 -0.0250 -0.0010 279 PRO a CB +27453 C CG A PRO S 279 ? 0.7496 0.5917 0.5513 0.0051 -0.0258 -0.0010 279 PRO a CG +27454 C CG B PRO S 279 ? 0.7483 0.5906 0.5501 0.0052 -0.0257 -0.0010 279 PRO a CG +27455 C CD A PRO S 279 ? 0.8067 0.6434 0.6023 0.0052 -0.0277 -0.0031 279 PRO a CD +27456 C CD B PRO S 279 ? 0.8079 0.6447 0.6035 0.0053 -0.0276 -0.0030 279 PRO a CD +27457 N N A VAL S 280 ? 0.7224 0.5589 0.5173 0.0101 -0.0202 -0.0010 280 VAL a N +27458 N N B VAL S 280 ? 0.7210 0.5576 0.5159 0.0102 -0.0201 -0.0010 280 VAL a N +27459 C CA A VAL S 280 ? 0.7453 0.5823 0.5393 0.0127 -0.0170 -0.0001 280 VAL a CA +27460 C CA B VAL S 280 ? 0.7446 0.5816 0.5386 0.0127 -0.0169 -0.0001 280 VAL a CA +27461 C C A VAL S 280 ? 0.8296 0.6618 0.6198 0.0140 -0.0165 -0.0014 280 VAL a C +27462 C C B VAL S 280 ? 0.8323 0.6645 0.6224 0.0141 -0.0164 -0.0014 280 VAL a C +27463 O O A VAL S 280 ? 0.7649 0.5982 0.5572 0.0151 -0.0147 -0.0009 280 VAL a O +27464 O O B VAL S 280 ? 0.7650 0.5982 0.5573 0.0151 -0.0147 -0.0009 280 VAL a O +27465 C CB A VAL S 280 ? 0.7951 0.6318 0.5852 0.0144 -0.0156 0.0005 280 VAL a CB +27466 C CB B VAL S 280 ? 0.7958 0.6325 0.5858 0.0145 -0.0155 0.0005 280 VAL a CB +27467 C CG1 A VAL S 280 ? 0.7023 0.5384 0.4902 0.0171 -0.0124 0.0009 280 VAL a CG1 +27468 C CG1 B VAL S 280 ? 0.7005 0.5368 0.4886 0.0172 -0.0122 0.0010 280 VAL a CG1 +27469 C CG2 A VAL S 280 ? 0.8015 0.6433 0.5960 0.0133 -0.0155 0.0021 280 VAL a CG2 +27470 C CG2 B VAL S 280 ? 0.8034 0.6450 0.5977 0.0133 -0.0154 0.0021 280 VAL a CG2 +27471 N N A VAL S 281 ? 0.7701 0.5970 0.5544 0.0140 -0.0182 -0.0031 281 VAL a N +27472 N N B VAL S 281 ? 0.7700 0.5969 0.5543 0.0141 -0.0181 -0.0031 281 VAL a N +27473 C CA A VAL S 281 ? 0.8614 0.6832 0.6415 0.0153 -0.0177 -0.0044 281 VAL a CA +27474 C CA B VAL S 281 ? 0.8641 0.6857 0.6442 0.0152 -0.0178 -0.0044 281 VAL a CA +27475 C C A VAL S 281 ? 0.7881 0.6100 0.5721 0.0138 -0.0185 -0.0046 281 VAL a C +27476 C C B VAL S 281 ? 0.7884 0.6104 0.5726 0.0136 -0.0186 -0.0046 281 VAL a C +27477 O O A VAL S 281 ? 0.7494 0.5697 0.5330 0.0153 -0.0170 -0.0046 281 VAL a O +27478 O O B VAL S 281 ? 0.7473 0.5678 0.5312 0.0151 -0.0171 -0.0046 281 VAL a O +27479 C CB A VAL S 281 ? 0.8147 0.6305 0.5876 0.0154 -0.0196 -0.0062 281 VAL a CB +27480 C CB B VAL S 281 ? 0.8141 0.6298 0.5872 0.0152 -0.0198 -0.0063 281 VAL a CB +27481 C CG1 A VAL S 281 ? 0.8003 0.6102 0.5687 0.0166 -0.0193 -0.0076 281 VAL a CG1 +27482 C CG1 B VAL S 281 ? 0.8004 0.6104 0.5693 0.0161 -0.0197 -0.0078 281 VAL a CG1 +27483 C CG2 A VAL S 281 ? 0.7908 0.6060 0.5592 0.0174 -0.0185 -0.0059 281 VAL a CG2 +27484 C CG2 B VAL S 281 ? 0.7892 0.6041 0.5575 0.0173 -0.0186 -0.0060 281 VAL a CG2 +27485 N N A GLY S 282 ? 0.7821 0.6055 0.5697 0.0108 -0.0208 -0.0048 282 GLY a N +27486 N N B GLY S 282 ? 0.7813 0.6050 0.5692 0.0107 -0.0209 -0.0048 282 GLY a N +27487 C CA A GLY S 282 ? 0.8104 0.6338 0.6015 0.0091 -0.0214 -0.0050 282 GLY a CA +27488 C CA B GLY S 282 ? 0.8096 0.6335 0.6012 0.0089 -0.0215 -0.0049 282 GLY a CA +27489 C C A GLY S 282 ? 0.8827 0.7101 0.6786 0.0101 -0.0192 -0.0034 282 GLY a C +27490 C C B GLY S 282 ? 0.8852 0.7129 0.6815 0.0100 -0.0192 -0.0033 282 GLY a C +27491 O O A GLY S 282 ? 0.8367 0.6621 0.6327 0.0106 -0.0185 -0.0036 282 GLY a O +27492 O O B GLY S 282 ? 0.8393 0.6650 0.6355 0.0106 -0.0185 -0.0035 282 GLY a O +27493 N N A VAL S 283 ? 0.7461 0.5790 0.5460 0.0104 -0.0181 -0.0018 283 VAL a N +27494 N N B VAL S 283 ? 0.7436 0.5768 0.5438 0.0104 -0.0180 -0.0018 283 VAL a N +27495 C CA A VAL S 283 ? 0.7554 0.5927 0.5604 0.0113 -0.0161 -0.0003 283 VAL a CA +27496 C CA B VAL S 283 ? 0.7556 0.5931 0.5607 0.0113 -0.0160 -0.0003 283 VAL a CA +27497 C C A VAL S 283 ? 0.7578 0.5939 0.5601 0.0145 -0.0135 -0.0002 283 VAL a C +27498 C C B VAL S 283 ? 0.7578 0.5939 0.5601 0.0145 -0.0135 -0.0002 283 VAL a C +27499 O O A VAL S 283 ? 0.7767 0.6144 0.5817 0.0155 -0.0123 0.0004 283 VAL a O +27500 O O B VAL S 283 ? 0.7786 0.6162 0.5836 0.0155 -0.0123 0.0004 283 VAL a O +27501 C CB A VAL S 283 ? 0.7801 0.6235 0.5901 0.0103 -0.0158 0.0011 283 VAL a CB +27502 C CB B VAL S 283 ? 0.7824 0.6260 0.5926 0.0103 -0.0157 0.0012 283 VAL a CB +27503 C CG1 A VAL S 283 ? 0.6962 0.5444 0.5110 0.0114 -0.0135 0.0027 283 VAL a CG1 +27504 C CG1 B VAL S 283 ? 0.6950 0.5433 0.5099 0.0115 -0.0134 0.0027 283 VAL a CG1 +27505 C CG2 A VAL S 283 ? 0.6677 0.5127 0.4814 0.0071 -0.0182 0.0010 283 VAL a CG2 +27506 C CG2 B VAL S 283 ? 0.6674 0.5126 0.4812 0.0072 -0.0181 0.0011 283 VAL a CG2 +27507 N N . TRP S 284 ? 0.7495 0.5829 0.5464 0.0163 -0.0128 -0.0007 284 TRP a N +27508 C CA . TRP S 284 ? 0.8364 0.6675 0.6298 0.0195 -0.0106 -0.0010 284 TRP a CA +27509 C C . TRP S 284 ? 0.7477 0.5743 0.5393 0.0200 -0.0111 -0.0020 284 TRP a C +27510 O O . TRP S 284 ? 0.8177 0.6451 0.6105 0.0219 -0.0094 -0.0016 284 TRP a O +27511 C CB . TRP S 284 ? 0.7487 0.5763 0.5356 0.0211 -0.0101 -0.0018 284 TRP a CB +27512 C CG . TRP S 284 ? 0.8916 0.7232 0.6794 0.0220 -0.0083 -0.0005 284 TRP a CG +27513 C CD1 . TRP S 284 ? 0.7863 0.6240 0.5798 0.0221 -0.0065 0.0011 284 TRP a CD1 +27514 C CD2 . TRP S 284 ? 0.8948 0.7242 0.6773 0.0229 -0.0080 -0.0009 284 TRP a CD2 +27515 N NE1 . TRP S 284 ? 0.8149 0.6543 0.6071 0.0229 -0.0050 0.0018 284 TRP a NE1 +27516 C CE2 . TRP S 284 ? 0.9684 0.8027 0.7537 0.0234 -0.0059 0.0007 284 TRP a CE2 +27517 C CE3 . TRP S 284 ? 0.8453 0.6688 0.6208 0.0233 -0.0093 -0.0024 284 TRP a CE3 +27518 C CZ2 . TRP S 284 ? 0.8552 0.6885 0.6363 0.0243 -0.0049 0.0009 284 TRP a CZ2 +27519 C CZ3 . TRP S 284 ? 0.8574 0.6801 0.6286 0.0243 -0.0086 -0.0022 284 TRP a CZ3 +27520 C CH2 . TRP S 284 ? 0.8949 0.7225 0.6690 0.0248 -0.0063 -0.0005 284 TRP a CH2 +27521 N N A PHE S 285 ? 0.7582 0.5801 0.5468 0.0181 -0.0134 -0.0034 285 PHE a N +27522 N N B PHE S 285 ? 0.7572 0.5792 0.5458 0.0181 -0.0134 -0.0034 285 PHE a N +27523 C CA A PHE S 285 ? 0.7841 0.6012 0.5706 0.0183 -0.0139 -0.0043 285 PHE a CA +27524 C CA B PHE S 285 ? 0.7835 0.6006 0.5699 0.0184 -0.0138 -0.0044 285 PHE a CA +27525 C C A PHE S 285 ? 0.8499 0.6700 0.6421 0.0172 -0.0139 -0.0034 285 PHE a C +27526 C C B PHE S 285 ? 0.8528 0.6728 0.6448 0.0173 -0.0138 -0.0034 285 PHE a C +27527 O O A PHE S 285 ? 0.7808 0.5987 0.5722 0.0187 -0.0130 -0.0035 285 PHE a O +27528 O O B PHE S 285 ? 0.7809 0.5987 0.5722 0.0188 -0.0130 -0.0035 285 PHE a O +27529 C CB A PHE S 285 ? 0.7852 0.5966 0.5674 0.0161 -0.0164 -0.0061 285 PHE a CB +27530 C CB B PHE S 285 ? 0.7854 0.5967 0.5674 0.0163 -0.0163 -0.0061 285 PHE a CB +27531 C CG A PHE S 285 ? 0.8594 0.6656 0.6342 0.0180 -0.0163 -0.0074 285 PHE a CG +27532 C CG B PHE S 285 ? 0.8592 0.6653 0.6338 0.0181 -0.0162 -0.0074 285 PHE a CG +27533 C CD1 A PHE S 285 ? 0.8952 0.6970 0.6655 0.0208 -0.0148 -0.0080 285 PHE a CD1 +27534 C CD1 B PHE S 285 ? 0.8968 0.6982 0.6667 0.0209 -0.0148 -0.0081 285 PHE a CD1 +27535 C CD2 A PHE S 285 ? 0.9366 0.7421 0.7088 0.0170 -0.0177 -0.0081 285 PHE a CD2 +27536 C CD2 B PHE S 285 ? 0.9386 0.7444 0.7109 0.0171 -0.0175 -0.0080 285 PHE a CD2 +27537 C CE1 A PHE S 285 ? 0.9729 0.7696 0.7362 0.0226 -0.0146 -0.0093 285 PHE a CE1 +27538 C CE1 B PHE S 285 ? 0.9747 0.7712 0.7377 0.0226 -0.0147 -0.0094 285 PHE a CE1 +27539 C CE2 A PHE S 285 ? 0.9356 0.7360 0.7006 0.0187 -0.0176 -0.0094 285 PHE a CE2 +27540 C CE2 B PHE S 285 ? 0.9338 0.7346 0.6990 0.0189 -0.0175 -0.0093 285 PHE a CE2 +27541 C CZ A PHE S 285 ? 0.9454 0.7415 0.7060 0.0215 -0.0160 -0.0100 285 PHE a CZ +27542 C CZ B PHE S 285 ? 0.9440 0.7402 0.7046 0.0215 -0.0160 -0.0100 285 PHE a CZ +27543 N N A ALA S 286 ? 0.7583 0.5834 0.5561 0.0147 -0.0148 -0.0024 286 ALA a N +27544 N N B ALA S 286 ? 0.7588 0.5837 0.5564 0.0147 -0.0148 -0.0025 286 ALA a N +27545 C CA A ALA S 286 ? 0.7456 0.5739 0.5488 0.0138 -0.0146 -0.0014 286 ALA a CA +27546 C CA B ALA S 286 ? 0.7455 0.5736 0.5485 0.0138 -0.0146 -0.0015 286 ALA a CA +27547 C C A ALA S 286 ? 0.7742 0.6058 0.5796 0.0167 -0.0122 -0.0003 286 ALA a C +27548 C C B ALA S 286 ? 0.7766 0.6080 0.5819 0.0167 -0.0122 -0.0003 286 ALA a C +27549 O O A ALA S 286 ? 0.7702 0.6007 0.5763 0.0177 -0.0117 -0.0002 286 ALA a O +27550 O O B ALA S 286 ? 0.7716 0.6023 0.5779 0.0176 -0.0117 -0.0001 286 ALA a O +27551 C CB A ALA S 286 ? 0.7317 0.5652 0.5405 0.0110 -0.0157 -0.0006 286 ALA a CB +27552 C CB B ALA S 286 ? 0.7331 0.5662 0.5416 0.0109 -0.0158 -0.0007 286 ALA a CB +27553 N N A ALA S 287 ? 0.7438 0.5792 0.5501 0.0181 -0.0107 0.0004 287 ALA a N +27554 N N B ALA S 287 ? 0.7441 0.5793 0.5502 0.0181 -0.0107 0.0004 287 ALA a N +27555 C CA A ALA S 287 ? 0.7320 0.5710 0.5407 0.0208 -0.0083 0.0014 287 ALA a CA +27556 C CA B ALA S 287 ? 0.7324 0.5713 0.5410 0.0208 -0.0084 0.0014 287 ALA a CA +27557 C C A ALA S 287 ? 0.7681 0.6026 0.5723 0.0238 -0.0073 0.0005 287 ALA a C +27558 C C B ALA S 287 ? 0.7689 0.6032 0.5729 0.0238 -0.0073 0.0005 287 ALA a C +27559 O O A ALA S 287 ? 0.7251 0.5613 0.5314 0.0257 -0.0061 0.0010 287 ALA a O +27560 O O B ALA S 287 ? 0.7254 0.5613 0.5315 0.0257 -0.0062 0.0010 287 ALA a O +27561 C CB A ALA S 287 ? 0.7220 0.5654 0.5320 0.0216 -0.0068 0.0022 287 ALA a CB +27562 C CB B ALA S 287 ? 0.7218 0.5652 0.5317 0.0216 -0.0068 0.0022 287 ALA a CB +27563 N N A LEU S 288 ? 0.7445 0.5730 0.5421 0.0244 -0.0078 -0.0008 288 LEU a N +27564 N N B LEU S 288 ? 0.7442 0.5726 0.5418 0.0244 -0.0078 -0.0009 288 LEU a N +27565 C CA A LEU S 288 ? 0.7957 0.6192 0.5884 0.0273 -0.0069 -0.0018 288 LEU a CA +27566 C CA B LEU S 288 ? 0.7966 0.6199 0.5891 0.0272 -0.0070 -0.0018 288 LEU a CA +27567 C C A LEU S 288 ? 0.7903 0.6095 0.5821 0.0267 -0.0081 -0.0023 288 LEU a C +27568 C C B LEU S 288 ? 0.7912 0.6103 0.5830 0.0266 -0.0082 -0.0024 288 LEU a C +27569 O O A LEU S 288 ? 0.7893 0.6060 0.5791 0.0294 -0.0071 -0.0026 288 LEU a O +27570 O O B LEU S 288 ? 0.7913 0.6076 0.5808 0.0292 -0.0073 -0.0027 288 LEU a O +27571 C CB A LEU S 288 ? 0.7330 0.5511 0.5187 0.0280 -0.0071 -0.0031 288 LEU a CB +27572 C CB B LEU S 288 ? 0.7313 0.5493 0.5169 0.0279 -0.0072 -0.0032 288 LEU a CB +27573 C CG A LEU S 288 ? 0.8325 0.6539 0.6178 0.0294 -0.0054 -0.0027 288 LEU a CG +27574 C CG B LEU S 288 ? 0.8359 0.6571 0.6210 0.0294 -0.0054 -0.0027 288 LEU a CG +27575 C CD1 A LEU S 288 ? 0.7720 0.5878 0.5500 0.0299 -0.0059 -0.0040 288 LEU a CD1 +27576 C CD1 B LEU S 288 ? 0.7705 0.5860 0.5483 0.0299 -0.0059 -0.0041 288 LEU a CD1 +27577 C CD2 A LEU S 288 ? 0.7601 0.5850 0.5473 0.0328 -0.0026 -0.0020 288 LEU a CD2 +27578 C CD2 B LEU S 288 ? 0.7617 0.5860 0.5484 0.0329 -0.0026 -0.0021 288 LEU a CD2 +27579 N N A GLY S 289 ? 0.7526 0.5708 0.5458 0.0233 -0.0102 -0.0025 289 GLY a N +27580 N N B GLY S 289 ? 0.7521 0.5703 0.5454 0.0231 -0.0103 -0.0025 289 GLY a N +27581 C CA A GLY S 289 ? 0.7371 0.5520 0.5302 0.0224 -0.0111 -0.0027 289 GLY a CA +27582 C CA B GLY S 289 ? 0.7362 0.5513 0.5296 0.0222 -0.0112 -0.0027 289 GLY a CA +27583 C C A GLY S 289 ? 0.7896 0.6086 0.5874 0.0240 -0.0099 -0.0014 289 GLY a C +27584 C C B GLY S 289 ? 0.7911 0.6103 0.5891 0.0237 -0.0100 -0.0014 289 GLY a C +27585 O O A GLY S 289 ? 0.7612 0.5769 0.5568 0.0261 -0.0094 -0.0016 289 GLY a O +27586 O O B GLY S 289 ? 0.7602 0.5761 0.5561 0.0258 -0.0095 -0.0016 289 GLY a O +27587 N N A ILE S 290 ? 0.7926 0.6188 0.5967 0.0230 -0.0096 -0.0001 290 ILE a N +27588 N N B ILE S 290 ? 0.7938 0.6202 0.5981 0.0228 -0.0096 -0.0001 290 ILE a N +27589 C CA A ILE S 290 ? 0.7519 0.5825 0.5607 0.0243 -0.0086 0.0010 290 ILE a CA +27590 C CA B ILE S 290 ? 0.7517 0.5826 0.5607 0.0241 -0.0087 0.0011 290 ILE a CA +27591 C C A ILE S 290 ? 0.7873 0.6184 0.5946 0.0284 -0.0066 0.0010 290 ILE a C +27592 C C B ILE S 290 ? 0.7890 0.6202 0.5964 0.0283 -0.0067 0.0010 290 ILE a C +27593 O O A ILE S 290 ? 0.7765 0.6072 0.5843 0.0305 -0.0061 0.0012 290 ILE a O +27594 O O B ILE S 290 ? 0.7776 0.6082 0.5854 0.0303 -0.0063 0.0012 290 ILE a O +27595 C CB A ILE S 290 ? 0.7862 0.6244 0.6017 0.0224 -0.0086 0.0024 290 ILE a CB +27596 C CB B ILE S 290 ? 0.7878 0.6263 0.6034 0.0224 -0.0085 0.0024 290 ILE a CB +27597 C CG1 A ILE S 290 ? 0.7233 0.5612 0.5404 0.0184 -0.0105 0.0023 290 ILE a CG1 +27598 C CG1 B ILE S 290 ? 0.7201 0.5585 0.5374 0.0184 -0.0105 0.0024 290 ILE a CG1 +27599 C CG2 A ILE S 290 ? 0.7057 0.5487 0.5262 0.0238 -0.0076 0.0035 290 ILE a CG2 +27600 C CG2 B ILE S 290 ? 0.7053 0.5486 0.5259 0.0237 -0.0076 0.0035 290 ILE a CG2 +27601 C CD1 A ILE S 290 ? 0.7087 0.5434 0.5258 0.0171 -0.0116 0.0022 290 ILE a CD1 +27602 C CD1 B ILE S 290 ? 0.7081 0.5430 0.5251 0.0169 -0.0117 0.0021 290 ILE a CD1 +27603 N N A SER S 291 ? 0.7310 0.5631 0.5365 0.0298 -0.0054 0.0007 291 SER a N +27604 N N B SER S 291 ? 0.7303 0.5622 0.5357 0.0297 -0.0055 0.0007 291 SER a N +27605 C CA A SER S 291 ? 0.7253 0.5587 0.5299 0.0337 -0.0033 0.0007 291 SER a CA +27606 C CA B SER S 291 ? 0.7244 0.5578 0.5291 0.0337 -0.0033 0.0007 291 SER a CA +27607 C C A SER S 291 ? 0.8075 0.6339 0.6060 0.0364 -0.0031 -0.0005 291 SER a C +27608 C C B SER S 291 ? 0.8093 0.6356 0.6079 0.0363 -0.0032 -0.0005 291 SER a C +27609 O O A SER S 291 ? 0.8129 0.6403 0.6113 0.0399 -0.0015 -0.0005 291 SER a O +27610 O O B SER S 291 ? 0.8153 0.6426 0.6137 0.0398 -0.0016 -0.0005 291 SER a O +27611 C CB A SER S 291 ? 0.7827 0.6184 0.5864 0.0342 -0.0019 0.0007 291 SER a CB +27612 C CB B SER S 291 ? 0.7836 0.6195 0.5876 0.0343 -0.0019 0.0007 291 SER a CB +27613 O OG A SER S 291 ? 0.7285 0.5710 0.5380 0.0322 -0.0017 0.0019 291 SER a OG +27614 O OG B SER S 291 ? 0.7297 0.5717 0.5390 0.0319 -0.0020 0.0019 291 SER a OG +27615 N N A THR S 292 ? 0.7515 0.5708 0.5450 0.0349 -0.0047 -0.0015 292 THR a N +27616 N N B THR S 292 ? 0.7499 0.5691 0.5433 0.0348 -0.0048 -0.0015 292 THR a N +27617 C CA A THR S 292 ? 0.7971 0.6092 0.5845 0.0373 -0.0046 -0.0026 292 THR a CA +27618 C CA B THR S 292 ? 0.7972 0.6093 0.5847 0.0373 -0.0047 -0.0026 292 THR a CA +27619 C C A THR S 292 ? 0.8321 0.6411 0.6198 0.0367 -0.0058 -0.0025 292 THR a C +27620 C C B THR S 292 ? 0.8340 0.6429 0.6216 0.0367 -0.0058 -0.0025 292 THR a C +27621 O O A THR S 292 ? 0.8551 0.6604 0.6398 0.0397 -0.0053 -0.0029 292 THR a O +27622 O O B THR S 292 ? 0.8581 0.6631 0.6426 0.0397 -0.0053 -0.0029 292 THR a O +27623 C CB A THR S 292 ? 0.8413 0.6465 0.6219 0.0365 -0.0055 -0.0041 292 THR a CB +27624 C CB B THR S 292 ? 0.8426 0.6478 0.6232 0.0365 -0.0055 -0.0041 292 THR a CB +27625 O OG1 A THR S 292 ? 0.8305 0.6341 0.6115 0.0323 -0.0076 -0.0044 292 THR a OG1 +27626 O OG1 B THR S 292 ? 0.8322 0.6357 0.6131 0.0323 -0.0076 -0.0044 292 THR a OG1 +27627 C CG2 A THR S 292 ? 0.7654 0.5728 0.5446 0.0378 -0.0041 -0.0044 292 THR a CG2 +27628 C CG2 B THR S 292 ? 0.7642 0.5718 0.5436 0.0378 -0.0041 -0.0043 292 THR a CG2 +27629 N N A MET S 293 ? 0.7726 0.5830 0.5636 0.0331 -0.0073 -0.0019 293 MET a N +27630 N N B MET S 293 ? 0.7733 0.5836 0.5643 0.0331 -0.0073 -0.0019 293 MET a N +27631 C CA A MET S 293 ? 0.7725 0.5815 0.5648 0.0327 -0.0080 -0.0014 293 MET a CA +27632 C CA B MET S 293 ? 0.7723 0.5810 0.5645 0.0328 -0.0080 -0.0014 293 MET a CA +27633 C C A MET S 293 ? 0.7766 0.5913 0.5735 0.0355 -0.0068 -0.0003 293 MET a C +27634 C C B MET S 293 ? 0.7776 0.5922 0.5745 0.0355 -0.0068 -0.0003 293 MET a C +27635 O O A MET S 293 ? 0.7938 0.6063 0.5903 0.0368 -0.0070 -0.0001 293 MET a O +27636 O O B MET S 293 ? 0.7959 0.6085 0.5926 0.0365 -0.0071 0.0000 293 MET a O +27637 C CB A MET S 293 ? 0.6675 0.4773 0.4627 0.0282 -0.0096 -0.0011 293 MET a CB +27638 C CB B MET S 293 ? 0.6655 0.4749 0.4605 0.0283 -0.0097 -0.0011 293 MET a CB +27639 C CG A MET S 293 ? 0.7636 0.5658 0.5534 0.0259 -0.0110 -0.0024 293 MET a CG +27640 C CG B MET S 293 ? 0.7634 0.5654 0.5531 0.0258 -0.0111 -0.0024 293 MET a CG +27641 S SD A MET S 293 ? 0.8469 0.6499 0.6397 0.0204 -0.0130 -0.0023 293 MET a SD +27642 S SD B MET S 293 ? 0.8490 0.6521 0.6420 0.0203 -0.0130 -0.0023 293 MET a SD +27643 C CE A MET S 293 ? 0.7324 0.5413 0.5280 0.0192 -0.0131 -0.0023 293 MET a CE +27644 C CE B MET S 293 ? 0.7331 0.5418 0.5287 0.0190 -0.0132 -0.0023 293 MET a CE +27645 N N A ALA S 294 ? 0.7315 0.5532 0.5325 0.0366 -0.0054 0.0003 294 ALA a N +27646 N N B ALA S 294 ? 0.7309 0.5525 0.5319 0.0366 -0.0055 0.0003 294 ALA a N +27647 C CA A ALA S 294 ? 0.7080 0.5354 0.5132 0.0396 -0.0041 0.0011 294 ALA a CA +27648 C CA B ALA S 294 ? 0.7066 0.5338 0.5118 0.0396 -0.0042 0.0011 294 ALA a CA +27649 C C A ALA S 294 ? 0.8356 0.6589 0.6366 0.0439 -0.0033 0.0004 294 ALA a C +27650 C C B ALA S 294 ? 0.8381 0.6613 0.6391 0.0439 -0.0033 0.0004 294 ALA a C +27651 O O A ALA S 294 ? 0.7702 0.5964 0.5739 0.0464 -0.0028 0.0009 294 ALA a O +27652 O O B ALA S 294 ? 0.7706 0.5966 0.5743 0.0463 -0.0029 0.0009 294 ALA a O +27653 C CB A ALA S 294 ? 0.6640 0.4987 0.4733 0.0400 -0.0026 0.0016 294 ALA a CB +27654 C CB B ALA S 294 ? 0.6585 0.4932 0.4680 0.0399 -0.0027 0.0016 294 ALA a CB +27655 N N A PHE S 295 ? 0.7635 0.5801 0.5579 0.0450 -0.0031 -0.0009 295 PHE a N +27656 N N B PHE S 295 ? 0.7622 0.5788 0.5566 0.0450 -0.0032 -0.0009 295 PHE a N +27657 C CA A PHE S 295 ? 0.8424 0.6540 0.6318 0.0490 -0.0024 -0.0017 295 PHE a CA +27658 C CA B PHE S 295 ? 0.8429 0.6544 0.6323 0.0491 -0.0024 -0.0017 295 PHE a CA +27659 C C A PHE S 295 ? 0.8524 0.6546 0.6359 0.0481 -0.0039 -0.0024 295 PHE a C +27660 C C B PHE S 295 ? 0.8544 0.6566 0.6379 0.0482 -0.0039 -0.0024 295 PHE a C +27661 O O A PHE S 295 ? 0.8448 0.6405 0.6221 0.0508 -0.0036 -0.0035 295 PHE a O +27662 O O B PHE S 295 ? 0.8462 0.6420 0.6237 0.0510 -0.0036 -0.0034 295 PHE a O +27663 C CB A PHE S 295 ? 0.8055 0.6163 0.5914 0.0514 -0.0008 -0.0026 295 PHE a CB +27664 C CB B PHE S 295 ? 0.8063 0.6172 0.5923 0.0514 -0.0008 -0.0026 295 PHE a CB +27665 C CG A PHE S 295 ? 0.7920 0.6117 0.5835 0.0518 0.0008 -0.0019 295 PHE a CG +27666 C CG B PHE S 295 ? 0.7923 0.6120 0.5839 0.0518 0.0008 -0.0019 295 PHE a CG +27667 C CD1 A PHE S 295 ? 0.7772 0.6033 0.5737 0.0546 0.0021 -0.0012 295 PHE a CD1 +27668 C CD1 B PHE S 295 ? 0.7765 0.6028 0.5732 0.0545 0.0021 -0.0012 295 PHE a CD1 +27669 C CD2 A PHE S 295 ? 0.7781 0.5996 0.5699 0.0493 0.0010 -0.0019 295 PHE a CD2 +27670 C CD2 B PHE S 295 ? 0.7780 0.5994 0.5698 0.0493 0.0010 -0.0019 295 PHE a CD2 +27671 C CE1 A PHE S 295 ? 0.8531 0.6875 0.6550 0.0546 0.0037 -0.0006 295 PHE a CE1 +27672 C CE1 B PHE S 295 ? 0.8541 0.6885 0.6560 0.0546 0.0037 -0.0005 295 PHE a CE1 +27673 C CE2 A PHE S 295 ? 0.7992 0.6285 0.5959 0.0495 0.0026 -0.0011 295 PHE a CE2 +27674 C CE2 B PHE S 295 ? 0.8001 0.6292 0.5967 0.0495 0.0026 -0.0011 295 PHE a CE2 +27675 C CZ A PHE S 295 ? 0.8045 0.6403 0.6064 0.0520 0.0041 -0.0005 295 PHE a CZ +27676 C CZ B PHE S 295 ? 0.8058 0.6414 0.6075 0.0520 0.0040 -0.0005 295 PHE a CZ +27677 N N A ASN S 296 ? 0.7698 0.5712 0.5549 0.0443 -0.0055 -0.0019 296 ASN a N +27678 N N B ASN S 296 ? 0.7695 0.5708 0.5545 0.0443 -0.0055 -0.0019 296 ASN a N +27679 C CA A ASN S 296 ? 0.8296 0.6232 0.6104 0.0431 -0.0068 -0.0023 296 ASN a CA +27680 C CA B ASN S 296 ? 0.8305 0.6240 0.6113 0.0430 -0.0069 -0.0023 296 ASN a CA +27681 C C A ASN S 296 ? 0.8271 0.6121 0.6005 0.0421 -0.0074 -0.0038 296 ASN a C +27682 C C B ASN S 296 ? 0.8279 0.6128 0.6014 0.0420 -0.0074 -0.0038 296 ASN a C +27683 O O A ASN S 296 ? 0.8437 0.6208 0.6118 0.0427 -0.0079 -0.0044 296 ASN a O +27684 O O B ASN S 296 ? 0.8415 0.6186 0.6099 0.0421 -0.0081 -0.0043 296 ASN a O +27685 C CB A ASN S 296 ? 0.8222 0.6136 0.6017 0.0467 -0.0065 -0.0020 296 ASN a CB +27686 C CB B ASN S 296 ? 0.8225 0.6137 0.6019 0.0466 -0.0066 -0.0020 296 ASN a CB +27687 C CG A ASN S 296 ? 0.8045 0.6041 0.5910 0.0476 -0.0062 -0.0007 296 ASN a CG +27688 C CG B ASN S 296 ? 0.8050 0.6044 0.5915 0.0474 -0.0063 -0.0007 296 ASN a CG +27689 O OD1 A ASN S 296 ? 0.7895 0.5939 0.5812 0.0443 -0.0069 0.0002 296 ASN a OD1 +27690 O OD1 B ASN S 296 ? 0.7911 0.5950 0.5825 0.0442 -0.0070 0.0002 296 ASN a OD1 +27691 N ND2 A ASN S 296 ? 0.8053 0.6069 0.5924 0.0521 -0.0052 -0.0006 296 ASN a ND2 +27692 N ND2 B ASN S 296 ? 0.8056 0.6071 0.5927 0.0519 -0.0053 -0.0006 296 ASN a ND2 +27693 N N A LEU S 297 ? 0.8032 0.5892 0.5761 0.0406 -0.0073 -0.0044 297 LEU a N +27694 N N B LEU S 297 ? 0.8030 0.5889 0.5757 0.0409 -0.0073 -0.0044 297 LEU a N +27695 C CA A LEU S 297 ? 0.8439 0.6220 0.6104 0.0388 -0.0083 -0.0059 297 LEU a CA +27696 C CA B LEU S 297 ? 0.8448 0.6231 0.6113 0.0388 -0.0083 -0.0058 297 LEU a CA +27697 C C A LEU S 297 ? 0.8328 0.6121 0.6022 0.0337 -0.0099 -0.0056 297 LEU a C +27698 C C B LEU S 297 ? 0.8340 0.6137 0.6037 0.0337 -0.0099 -0.0056 297 LEU a C +27699 O O A LEU S 297 ? 0.8242 0.6091 0.5975 0.0317 -0.0101 -0.0053 297 LEU a O +27700 O O B LEU S 297 ? 0.8247 0.6104 0.5986 0.0317 -0.0101 -0.0052 297 LEU a O +27701 C CB A LEU S 297 ? 0.8017 0.5796 0.5651 0.0404 -0.0074 -0.0068 297 LEU a CB +27702 C CB B LEU S 297 ? 0.8016 0.5797 0.5651 0.0402 -0.0075 -0.0068 297 LEU a CB +27703 C CG A LEU S 297 ? 0.8237 0.5934 0.5800 0.0390 -0.0085 -0.0085 297 LEU a CG +27704 C CG B LEU S 297 ? 0.8239 0.5938 0.5803 0.0389 -0.0085 -0.0085 297 LEU a CG +27705 C CD1 A LEU S 297 ? 0.7757 0.5363 0.5256 0.0407 -0.0086 -0.0094 297 LEU a CD1 +27706 C CD1 B LEU S 297 ? 0.7735 0.5344 0.5238 0.0405 -0.0087 -0.0093 297 LEU a CD1 +27707 C CD2 A LEU S 297 ? 0.8528 0.6234 0.6066 0.0406 -0.0075 -0.0093 297 LEU a CD2 +27708 C CD2 B LEU S 297 ? 0.8530 0.6233 0.6065 0.0410 -0.0074 -0.0093 297 LEU a CD2 +27709 N N A ASN S 298 ? 0.8032 0.5771 0.5707 0.0316 -0.0110 -0.0058 298 ASN a N +27710 N N B ASN S 298 ? 0.8023 0.5766 0.5701 0.0316 -0.0110 -0.0058 298 ASN a N +27711 C CA A ASN S 298 ? 0.7999 0.5762 0.5716 0.0273 -0.0123 -0.0052 298 ASN a CA +27712 C CA B ASN S 298 ? 0.7987 0.5752 0.5705 0.0272 -0.0123 -0.0052 298 ASN a CA +27713 C C A ASN S 298 ? 0.8711 0.6427 0.6398 0.0234 -0.0137 -0.0065 298 ASN a C +27714 C C B ASN S 298 ? 0.8737 0.6455 0.6424 0.0234 -0.0137 -0.0065 298 ASN a C +27715 O O A ASN S 298 ? 0.8472 0.6131 0.6101 0.0240 -0.0139 -0.0079 298 ASN a O +27716 O O B ASN S 298 ? 0.8477 0.6139 0.6106 0.0240 -0.0139 -0.0079 298 ASN a O +27717 C CB A ASN S 298 ? 0.8533 0.6280 0.6259 0.0274 -0.0123 -0.0043 298 ASN a CB +27718 C CB B ASN S 298 ? 0.8540 0.6283 0.6263 0.0272 -0.0124 -0.0044 298 ASN a CB +27719 C CG A ASN S 298 ? 0.8389 0.6192 0.6152 0.0310 -0.0112 -0.0030 298 ASN a CG +27720 C CG B ASN S 298 ? 0.8424 0.6227 0.6189 0.0305 -0.0113 -0.0030 298 ASN a CG +27721 O OD1 A ASN S 298 ? 0.8459 0.6338 0.6270 0.0319 -0.0105 -0.0024 298 ASN a OD1 +27722 O OD1 B ASN S 298 ? 0.8545 0.6427 0.6363 0.0309 -0.0107 -0.0023 298 ASN a OD1 +27723 N ND2 A ASN S 298 ? 0.8544 0.6310 0.6286 0.0332 -0.0109 -0.0027 298 ASN a ND2 +27724 N ND2 B ASN S 298 ? 0.8558 0.6322 0.6299 0.0330 -0.0110 -0.0027 298 ASN a ND2 +27725 N N A GLY S 299 ? 0.8000 0.5744 0.5728 0.0193 -0.0148 -0.0061 299 GLY a N +27726 N N B GLY S 299 ? 0.8004 0.5747 0.5731 0.0193 -0.0148 -0.0062 299 GLY a N +27727 C CA A GLY S 299 ? 0.7800 0.5509 0.5510 0.0154 -0.0163 -0.0074 299 GLY a CA +27728 C CA B GLY S 299 ? 0.7805 0.5513 0.5513 0.0154 -0.0163 -0.0074 299 GLY a CA +27729 C C A GLY S 299 ? 0.8894 0.6504 0.6535 0.0150 -0.0167 -0.0086 299 GLY a C +27730 C C B GLY S 299 ? 0.8912 0.6520 0.6552 0.0149 -0.0167 -0.0087 299 GLY a C +27731 O O A GLY S 299 ? 0.8847 0.6412 0.6457 0.0173 -0.0159 -0.0083 299 GLY a O +27732 O O B GLY S 299 ? 0.8863 0.6428 0.6474 0.0172 -0.0159 -0.0083 299 GLY a O +27733 N N A PHE S 300 ? 0.8851 0.6424 0.6467 0.0118 -0.0180 -0.0101 300 PHE a N +27734 N N B PHE S 300 ? 0.8873 0.6444 0.6488 0.0117 -0.0181 -0.0101 300 PHE a N +27735 C CA A PHE S 300 ? 0.8432 0.5907 0.5980 0.0109 -0.0185 -0.0115 300 PHE a CA +27736 C CA B PHE S 300 ? 0.8425 0.5898 0.5971 0.0109 -0.0185 -0.0115 300 PHE a CA +27737 C C A PHE S 300 ? 0.8647 0.6089 0.6196 0.0096 -0.0183 -0.0108 300 PHE a C +27738 C C B PHE S 300 ? 0.8661 0.6101 0.6210 0.0095 -0.0183 -0.0108 300 PHE a C +27739 O O A PHE S 300 ? 0.7952 0.5441 0.5557 0.0069 -0.0186 -0.0098 300 PHE a O +27740 O O B PHE S 300 ? 0.7947 0.5435 0.5551 0.0068 -0.0186 -0.0099 300 PHE a O +27741 C CB A PHE S 300 ? 0.8665 0.6117 0.6198 0.0070 -0.0202 -0.0132 300 PHE a CB +27742 C CB B PHE S 300 ? 0.8664 0.6111 0.6193 0.0071 -0.0202 -0.0133 300 PHE a CB +27743 C CG A PHE S 300 ? 0.8624 0.6075 0.6127 0.0086 -0.0205 -0.0144 300 PHE a CG +27744 C CG B PHE S 300 ? 0.8624 0.6071 0.6123 0.0087 -0.0205 -0.0144 300 PHE a CG +27745 C CD1 A PHE S 300 ? 0.9124 0.6509 0.6557 0.0119 -0.0198 -0.0153 300 PHE a CD1 +27746 C CD1 B PHE S 300 ? 0.9124 0.6508 0.6556 0.0122 -0.0197 -0.0153 300 PHE a CD1 +27747 C CD2 A PHE S 300 ? 0.8043 0.5555 0.5584 0.0068 -0.0215 -0.0146 300 PHE a CD2 +27748 C CD2 B PHE S 300 ? 0.8048 0.5553 0.5583 0.0069 -0.0215 -0.0147 300 PHE a CD2 +27749 C CE1 A PHE S 300 ? 0.9837 0.7218 0.7238 0.0133 -0.0201 -0.0165 300 PHE a CE1 +27750 C CE1 B PHE S 300 ? 0.9862 0.7242 0.7262 0.0137 -0.0199 -0.0164 300 PHE a CE1 +27751 C CE2 A PHE S 300 ? 0.8638 0.6145 0.6146 0.0083 -0.0219 -0.0156 300 PHE a CE2 +27752 C CE2 B PHE S 300 ? 0.8643 0.6144 0.6146 0.0084 -0.0218 -0.0157 300 PHE a CE2 +27753 C CZ A PHE S 300 ? 0.9512 0.6953 0.6950 0.0115 -0.0211 -0.0166 300 PHE a CZ +27754 C CZ B PHE S 300 ? 0.9534 0.6973 0.6969 0.0118 -0.0210 -0.0165 300 PHE a CZ +27755 N N A ASN S 301 ? 0.8641 0.6000 0.6127 0.0115 -0.0177 -0.0112 301 ASN a N +27756 N N B ASN S 301 ? 0.8647 0.6004 0.6133 0.0115 -0.0177 -0.0112 301 ASN a N +27757 C CA A ASN S 301 ? 0.8437 0.5747 0.5909 0.0106 -0.0174 -0.0106 301 ASN a CA +27758 C CA B ASN S 301 ? 0.8437 0.5747 0.5909 0.0106 -0.0174 -0.0106 301 ASN a CA +27759 C C A ASN S 301 ? 0.8438 0.5654 0.5851 0.0075 -0.0182 -0.0122 301 ASN a C +27760 C C B ASN S 301 ? 0.8440 0.5657 0.5854 0.0075 -0.0182 -0.0122 301 ASN a C +27761 O O A ASN S 301 ? 0.8627 0.5766 0.5971 0.0095 -0.0180 -0.0133 301 ASN a O +27762 O O B ASN S 301 ? 0.8632 0.5772 0.5976 0.0095 -0.0180 -0.0133 301 ASN a O +27763 C CB A ASN S 301 ? 0.7685 0.4973 0.5130 0.0157 -0.0161 -0.0097 301 ASN a CB +27764 C CB B ASN S 301 ? 0.7667 0.4955 0.5112 0.0156 -0.0161 -0.0096 301 ASN a CB +27765 C CG A ASN S 301 ? 0.8721 0.5962 0.6151 0.0151 -0.0158 -0.0088 301 ASN a CG +27766 C CG B ASN S 301 ? 0.8740 0.5983 0.6172 0.0151 -0.0158 -0.0087 301 ASN a CG +27767 O OD1 A ASN S 301 ? 0.8207 0.5396 0.5618 0.0113 -0.0163 -0.0093 301 ASN a OD1 +27768 O OD1 B ASN S 301 ? 0.8204 0.5397 0.5618 0.0113 -0.0163 -0.0092 301 ASN a OD1 +27769 N ND2 A ASN S 301 ? 0.8124 0.5384 0.5564 0.0190 -0.0149 -0.0074 301 ASN a ND2 +27770 N ND2 B ASN S 301 ? 0.8118 0.5381 0.5559 0.0190 -0.0149 -0.0074 301 ASN a ND2 +27771 N N . PHE S 302 ? 0.8519 0.5742 0.5960 0.0026 -0.0190 -0.0125 302 PHE a N +27772 C CA . PHE S 302 ? 0.7633 0.4769 0.5025 -0.0009 -0.0196 -0.0139 302 PHE a CA +27773 C C . PHE S 302 ? 0.8539 0.5636 0.5927 -0.0027 -0.0190 -0.0130 302 PHE a C +27774 O O . PHE S 302 ? 0.8420 0.5477 0.5798 -0.0072 -0.0194 -0.0139 302 PHE a O +27775 C CB . PHE S 302 ? 0.8346 0.5510 0.5765 -0.0053 -0.0211 -0.0154 302 PHE a CB +27776 C CG . PHE S 302 ? 0.8734 0.5926 0.6147 -0.0036 -0.0219 -0.0164 302 PHE a CG +27777 C CD1 . PHE S 302 ? 0.8548 0.5668 0.5887 -0.0011 -0.0218 -0.0177 302 PHE a CD1 +27778 C CD2 . PHE S 302 ? 0.8449 0.5735 0.5926 -0.0042 -0.0225 -0.0160 302 PHE a CD2 +27779 C CE1 . PHE S 302 ? 0.8765 0.5907 0.6094 0.0007 -0.0223 -0.0186 302 PHE a CE1 +27780 C CE2 . PHE S 302 ? 0.9029 0.6337 0.6495 -0.0024 -0.0231 -0.0168 302 PHE a CE2 +27781 C CZ . PHE S 302 ? 0.9585 0.6820 0.6977 0.0000 -0.0230 -0.0181 302 PHE a CZ +27782 N N A ASN S 303 ? 0.8362 0.5469 0.5755 0.0006 -0.0178 -0.0113 303 ASN a N +27783 N N B ASN S 303 ? 0.8355 0.5464 0.5749 0.0006 -0.0178 -0.0113 303 ASN a N +27784 C CA A ASN S 303 ? 0.8825 0.5892 0.6209 -0.0007 -0.0171 -0.0102 303 ASN a CA +27785 C CA B ASN S 303 ? 0.8828 0.5897 0.6214 -0.0008 -0.0172 -0.0103 303 ASN a CA +27786 C C A ASN S 303 ? 0.9253 0.6198 0.6550 -0.0008 -0.0168 -0.0113 303 ASN a C +27787 C C B ASN S 303 ? 0.9257 0.6203 0.6555 -0.0009 -0.0169 -0.0113 303 ASN a C +27788 O O A ASN S 303 ? 0.9519 0.6411 0.6759 0.0034 -0.0164 -0.0115 303 ASN a O +27789 O O B ASN S 303 ? 0.9533 0.6428 0.6775 0.0033 -0.0165 -0.0116 303 ASN a O +27790 C CB A ASN S 303 ? 0.8255 0.5365 0.5663 0.0034 -0.0162 -0.0083 303 ASN a CB +27791 C CB B ASN S 303 ? 0.8243 0.5354 0.5653 0.0032 -0.0162 -0.0083 303 ASN a CB +27792 C CG A ASN S 303 ? 0.8506 0.5734 0.5999 0.0034 -0.0164 -0.0072 303 ASN a CG +27793 C CG B ASN S 303 ? 0.8512 0.5741 0.6007 0.0033 -0.0164 -0.0072 303 ASN a CG +27794 O OD1 A ASN S 303 ? 0.8505 0.5782 0.6047 -0.0005 -0.0171 -0.0076 303 ASN a OD1 +27795 O OD1 B ASN S 303 ? 0.8512 0.5792 0.6056 -0.0005 -0.0172 -0.0076 303 ASN a OD1 +27796 N ND2 A ASN S 303 ? 0.8230 0.5505 0.5744 0.0078 -0.0158 -0.0060 303 ASN a ND2 +27797 N ND2 B ASN S 303 ? 0.8230 0.5503 0.5743 0.0078 -0.0158 -0.0060 303 ASN a ND2 +27798 N N . HIS S 304 ? 0.8128 0.5027 0.5413 -0.0056 -0.0170 -0.0118 304 HIS a N +27799 C CA . HIS S 304 ? 0.8843 0.5621 0.6047 -0.0067 -0.0167 -0.0129 304 HIS a CA +27800 C C . HIS S 304 ? 0.9356 0.6087 0.6510 -0.0062 -0.0175 -0.0149 304 HIS a C +27801 O O . HIS S 304 ? 0.9709 0.6343 0.6785 -0.0042 -0.0171 -0.0156 304 HIS a O +27802 C CB . HIS S 304 ? 0.8778 0.5492 0.5929 -0.0027 -0.0155 -0.0116 304 HIS a CB +27803 C CG . HIS S 304 ? 0.9224 0.5973 0.6415 -0.0032 -0.0148 -0.0096 304 HIS a CG +27804 N ND1 . HIS S 304 ? 0.9319 0.6011 0.6466 -0.0003 -0.0139 -0.0083 304 HIS a ND1 +27805 C CD2 . HIS S 304 ? 0.8891 0.5728 0.6159 -0.0060 -0.0149 -0.0087 304 HIS a CD2 +27806 C CE1 . HIS S 304 ? 0.8870 0.5612 0.6065 -0.0014 -0.0135 -0.0067 304 HIS a CE1 +27807 N NE2 . HIS S 304 ? 0.9227 0.6058 0.6497 -0.0048 -0.0140 -0.0069 304 HIS a NE2 +27808 N N . SER S 305 ? 1.0104 0.6902 0.7301 -0.0077 -0.0186 -0.0160 305 SER a N +27809 C CA . SER S 305 ? 1.0026 0.6780 0.7175 -0.0073 -0.0195 -0.0180 305 SER a CA +27810 C C . SER S 305 ? 0.9970 0.6642 0.7076 -0.0121 -0.0201 -0.0199 305 SER a C +27811 O O . SER S 305 ? 0.9729 0.6321 0.6766 -0.0113 -0.0205 -0.0215 305 SER a O +27812 C CB . SER S 305 ? 0.8984 0.5831 0.6186 -0.0071 -0.0206 -0.0185 305 SER a CB +27813 O OG . SER S 305 ? 0.9077 0.5965 0.6283 -0.0017 -0.0199 -0.0175 305 SER a OG +27814 N N . VAL S 306 ? 0.9373 0.6062 0.6519 -0.0171 -0.0203 -0.0198 306 VAL a N +27815 C CA . VAL S 306 ? 0.8619 0.5241 0.5736 -0.0223 -0.0208 -0.0216 306 VAL a CA +27816 C C . VAL S 306 ? 1.0256 0.6792 0.7328 -0.0233 -0.0193 -0.0207 306 VAL a C +27817 O O . VAL S 306 ? 0.9965 0.6538 0.7078 -0.0242 -0.0184 -0.0190 306 VAL a O +27818 C CB . VAL S 306 ? 0.9930 0.6631 0.7123 -0.0275 -0.0219 -0.0222 306 VAL a CB +27819 C CG1 . VAL S 306 ? 0.9385 0.6016 0.6550 -0.0331 -0.0224 -0.0242 306 VAL a CG1 +27820 C CG2 . VAL S 306 ? 0.8659 0.5444 0.5894 -0.0263 -0.0234 -0.0229 306 VAL a CG2 +27821 N N . ILE S 307 ? 1.0196 0.6617 0.7183 -0.0233 -0.0191 -0.0219 307 ILE a N +27822 C CA . ILE S 307 ? 1.0933 0.7259 0.7869 -0.0248 -0.0178 -0.0213 307 ILE a CA +27823 C C . ILE S 307 ? 0.9660 0.5901 0.6550 -0.0298 -0.0182 -0.0236 307 ILE a C +27824 O O . ILE S 307 ? 1.0108 0.6344 0.6986 -0.0308 -0.0196 -0.0257 307 ILE a O +27825 C CB . ILE S 307 ? 1.0990 0.7246 0.7857 -0.0190 -0.0166 -0.0201 307 ILE a CB +27826 C CG1 . ILE S 307 ? 0.9725 0.5928 0.6529 -0.0154 -0.0172 -0.0216 307 ILE a CG1 +27827 C CG2 . ILE S 307 ? 1.0887 0.7232 0.7806 -0.0146 -0.0161 -0.0178 307 ILE a CG2 +27828 C CD1 . ILE S 307 ? 1.1670 0.7804 0.8407 -0.0095 -0.0161 -0.0204 307 ILE a CD1 +27829 N N . ASP S 308 ? 1.0020 0.6196 0.6886 -0.0332 -0.0171 -0.0232 308 ASP a N +27830 C CA . ASP S 308 ? 1.0782 0.6887 0.7618 -0.0390 -0.0174 -0.0253 308 ASP a CA +27831 C C . ASP S 308 ? 1.0638 0.6601 0.7363 -0.0373 -0.0169 -0.0262 308 ASP a C +27832 O O . ASP S 308 ? 1.0214 0.6140 0.6889 -0.0315 -0.0165 -0.0254 308 ASP a O +27833 C CB . ASP S 308 ? 0.9373 0.5492 0.6250 -0.0443 -0.0163 -0.0245 308 ASP a CB +27834 C CG . ASP S 308 ? 1.0865 0.6890 0.7681 -0.0434 -0.0142 -0.0229 308 ASP a CG +27835 O OD1 . ASP S 308 ? 0.9960 0.5923 0.6712 -0.0381 -0.0136 -0.0219 308 ASP a OD1 +27836 O OD2 . ASP S 308 ? 1.0095 0.6110 0.6929 -0.0482 -0.0131 -0.0225 308 ASP a OD2 +27837 N N . ALA S 309 ? 1.0483 0.6364 0.7169 -0.0425 -0.0168 -0.0280 309 ALA a N +27838 C CA . ALA S 309 ? 1.2128 0.7868 0.8706 -0.0415 -0.0164 -0.0291 309 ALA a CA +27839 C C . ALA S 309 ? 1.1977 0.7638 0.8493 -0.0375 -0.0146 -0.0269 309 ALA a C +27840 O O . ALA S 309 ? 1.1350 0.6935 0.7790 -0.0327 -0.0145 -0.0270 309 ALA a O +27841 C CB . ALA S 309 ? 1.0211 0.5882 0.6767 -0.0484 -0.0165 -0.0312 309 ALA a CB +27842 N N . LYS S 310 ? 1.0836 0.6515 0.7382 -0.0392 -0.0132 -0.0250 310 LYS a N +27843 C CA . LYS S 310 ? 1.0909 0.6518 0.7397 -0.0354 -0.0116 -0.0229 310 LYS a CA +27844 C C . LYS S 310 ? 1.1775 0.7445 0.8280 -0.0281 -0.0118 -0.0212 310 LYS a C +27845 O O . LYS S 310 ? 1.1237 0.6836 0.7675 -0.0232 -0.0110 -0.0201 310 LYS a O +27846 C CB . LYS S 310 ? 1.0347 0.5964 0.6866 -0.0394 -0.0101 -0.0214 310 LYS a CB +27847 C CG . LYS S 310 ? 1.1526 0.7047 0.7971 -0.0365 -0.0083 -0.0194 310 LYS a CG +27848 C CD . LYS S 310 ? 1.1095 0.6633 0.7576 -0.0408 -0.0068 -0.0179 310 LYS a CD +27849 C CE . LYS S 310 ? 1.2070 0.7507 0.8473 -0.0381 -0.0051 -0.0159 310 LYS a CE +27850 N NZ . LYS S 310 ? 1.0528 0.5997 0.6972 -0.0415 -0.0036 -0.0142 310 LYS a NZ +27851 N N . GLY S 311 ? 1.1359 0.7162 0.7953 -0.0274 -0.0128 -0.0210 311 GLY a N +27852 C CA . GLY S 311 ? 1.0624 0.6503 0.7250 -0.0212 -0.0129 -0.0193 311 GLY a CA +27853 C C . GLY S 311 ? 1.0689 0.6672 0.7400 -0.0219 -0.0125 -0.0173 311 GLY a C +27854 O O . GLY S 311 ? 1.0377 0.6422 0.7116 -0.0170 -0.0124 -0.0157 311 GLY a O +27855 N N . ASN S 312 ? 1.0023 0.6026 0.6775 -0.0278 -0.0120 -0.0173 312 ASN a N +27856 C CA . ASN S 312 ? 0.9462 0.5580 0.6305 -0.0291 -0.0118 -0.0157 312 ASN a CA +27857 C C . ASN S 312 ? 0.9934 0.6175 0.6853 -0.0273 -0.0133 -0.0161 312 ASN a C +27858 O O . ASN S 312 ? 0.9515 0.5768 0.6439 -0.0285 -0.0146 -0.0180 312 ASN a O +27859 C CB . ASN S 312 ? 1.0602 0.6726 0.7480 -0.0363 -0.0114 -0.0164 312 ASN a CB +27860 C CG . ASN S 312 ? 1.2496 0.8504 0.9306 -0.0386 -0.0097 -0.0158 312 ASN a CG +27861 O OD1 . ASN S 312 ? 1.1945 0.7920 0.8725 -0.0356 -0.0085 -0.0138 312 ASN a OD1 +27862 N ND2 . ASN S 312 ? 1.0285 0.6229 0.7069 -0.0440 -0.0095 -0.0176 312 ASN a ND2 +27863 N N . VAL S 313 ? 0.9537 0.5870 0.6518 -0.0248 -0.0131 -0.0142 313 VAL a N +27864 C CA . VAL S 313 ? 1.0114 0.6571 0.7176 -0.0241 -0.0143 -0.0144 313 VAL a CA +27865 C C . VAL S 313 ? 0.9226 0.5744 0.6356 -0.0303 -0.0148 -0.0152 313 VAL a C +27866 O O . VAL S 313 ? 0.9539 0.6061 0.6692 -0.0336 -0.0138 -0.0143 313 VAL a O +27867 C CB . VAL S 313 ? 1.0354 0.6889 0.7459 -0.0196 -0.0140 -0.0122 313 VAL a CB +27868 C CG1 . VAL S 313 ? 0.9894 0.6556 0.7085 -0.0195 -0.0151 -0.0123 313 VAL a CG1 +27869 C CG2 . VAL S 313 ? 0.9955 0.6439 0.6999 -0.0133 -0.0136 -0.0116 313 VAL a CG2 +27870 N N . ILE S 314 ? 0.9265 0.5830 0.6425 -0.0318 -0.0163 -0.0169 314 ILE a N +27871 C CA . ILE S 314 ? 0.9309 0.5955 0.6546 -0.0367 -0.0171 -0.0177 314 ILE a CA +27872 C C . ILE S 314 ? 0.9734 0.6501 0.7046 -0.0340 -0.0179 -0.0168 314 ILE a C +27873 O O . ILE S 314 ? 0.8556 0.5350 0.5867 -0.0312 -0.0190 -0.0175 314 ILE a O +27874 C CB . ILE S 314 ? 1.0052 0.6669 0.7273 -0.0403 -0.0185 -0.0205 314 ILE a CB +27875 C CG1 . ILE S 314 ? 0.9956 0.6441 0.7091 -0.0422 -0.0178 -0.0215 314 ILE a CG1 +27876 C CG2 . ILE S 314 ? 1.0052 0.6754 0.7356 -0.0456 -0.0194 -0.0213 314 ILE a CG2 +27877 C CD1 . ILE S 314 ? 0.9359 0.5809 0.6497 -0.0470 -0.0164 -0.0211 314 ILE a CD1 +27878 N N . ASN S 315 ? 0.9699 0.6537 0.7073 -0.0348 -0.0172 -0.0151 315 ASN a N +27879 C CA . ASN S 315 ? 0.9600 0.6553 0.7047 -0.0327 -0.0179 -0.0142 315 ASN a CA +27880 C C . ASN S 315 ? 0.8996 0.6012 0.6489 -0.0350 -0.0196 -0.0159 315 ASN a C +27881 O O . ASN S 315 ? 0.8984 0.5988 0.6486 -0.0398 -0.0202 -0.0175 315 ASN a O +27882 C CB . ASN S 315 ? 0.7602 0.4615 0.5109 -0.0342 -0.0170 -0.0124 315 ASN a CB +27883 C CG . ASN S 315 ? 0.9955 0.6929 0.7428 -0.0309 -0.0155 -0.0104 315 ASN a CG +27884 O OD1 . ASN S 315 ? 0.9853 0.6784 0.7275 -0.0262 -0.0153 -0.0100 315 ASN a OD1 +27885 N ND2 . ASN S 315 ? 1.0022 0.7012 0.7523 -0.0330 -0.0145 -0.0092 315 ASN a ND2 +27886 N N . THR S 316 ? 0.8016 0.5099 0.5536 -0.0315 -0.0204 -0.0156 316 THR a N +27887 C CA . THR S 316 ? 0.8146 0.5314 0.5725 -0.0330 -0.0220 -0.0165 316 THR a CA +27888 C C . THR S 316 ? 0.8682 0.5953 0.6335 -0.0316 -0.0217 -0.0147 316 THR a C +27889 O O . THR S 316 ? 0.8059 0.5335 0.5716 -0.0293 -0.0205 -0.0128 316 THR a O +27890 C CB . THR S 316 ? 0.9795 0.6952 0.7339 -0.0301 -0.0231 -0.0177 316 THR a CB +27891 O OG1 . THR S 316 ? 0.9077 0.6263 0.6620 -0.0247 -0.0224 -0.0161 316 THR a OG1 +27892 C CG2 . THR S 316 ? 0.9197 0.6241 0.6656 -0.0304 -0.0231 -0.0193 316 THR a CG2 +27893 N N . TRP S 317 ? 0.8734 0.6086 0.6443 -0.0326 -0.0231 -0.0152 317 TRP a N +27894 C CA . TRP S 317 ? 0.8814 0.6263 0.6591 -0.0311 -0.0230 -0.0136 317 TRP a CA +27895 C C . TRP S 317 ? 0.8250 0.5708 0.6010 -0.0256 -0.0222 -0.0122 317 TRP a C +27896 O O . TRP S 317 ? 0.8888 0.6408 0.6694 -0.0240 -0.0216 -0.0104 317 TRP a O +27897 C CB . TRP S 317 ? 0.8162 0.5687 0.5992 -0.0328 -0.0247 -0.0146 317 TRP a CB +27898 C CG . TRP S 317 ? 0.7963 0.5515 0.5839 -0.0381 -0.0253 -0.0156 317 TRP a CG +27899 C CD1 . TRP S 317 ? 0.8428 0.5965 0.6300 -0.0416 -0.0268 -0.0178 317 TRP a CD1 +27900 C CD2 . TRP S 317 ? 0.7990 0.5588 0.5922 -0.0404 -0.0245 -0.0145 317 TRP a CD2 +27901 N NE1 . TRP S 317 ? 0.7346 0.4921 0.5272 -0.0460 -0.0269 -0.0182 317 TRP a NE1 +27902 C CE2 . TRP S 317 ? 0.8173 0.5785 0.6135 -0.0453 -0.0255 -0.0162 317 TRP a CE2 +27903 C CE3 . TRP S 317 ? 0.7549 0.5180 0.5509 -0.0389 -0.0231 -0.0124 317 TRP a CE3 +27904 C CZ2 . TRP S 317 ? 0.8082 0.5738 0.6100 -0.0486 -0.0249 -0.0157 317 TRP a CZ2 +27905 C CZ3 . TRP S 317 ? 0.7727 0.5398 0.5739 -0.0421 -0.0226 -0.0119 317 TRP a CZ3 +27906 C CH2 . TRP S 317 ? 0.7859 0.5543 0.5901 -0.0469 -0.0234 -0.0135 317 TRP a CH2 +27907 N N . ALA S 318 ? 0.7538 0.4935 0.5234 -0.0227 -0.0222 -0.0128 318 ALA a N +27908 C CA . ALA S 318 ? 0.9029 0.6434 0.6710 -0.0174 -0.0213 -0.0115 318 ALA a CA +27909 C C . ALA S 318 ? 0.8690 0.6068 0.6360 -0.0159 -0.0198 -0.0098 318 ALA a C +27910 O O . ALA S 318 ? 0.8819 0.6244 0.6515 -0.0127 -0.0191 -0.0082 318 ALA a O +27911 C CB . ALA S 318 ? 0.8482 0.5825 0.6095 -0.0145 -0.0215 -0.0127 318 ALA a CB +27912 N N . ASP S 319 ? 0.8099 0.5400 0.5729 -0.0183 -0.0193 -0.0102 319 ASP a N +27913 C CA . ASP S 319 ? 0.8363 0.5633 0.5977 -0.0169 -0.0180 -0.0086 319 ASP a CA +27914 C C . ASP S 319 ? 0.8247 0.5592 0.5931 -0.0186 -0.0176 -0.0071 319 ASP a C +27915 O O . ASP S 319 ? 0.8220 0.5577 0.5910 -0.0160 -0.0168 -0.0055 319 ASP a O +27916 C CB . ASP S 319 ? 0.8114 0.5276 0.5663 -0.0193 -0.0175 -0.0094 319 ASP a CB +27917 C CG . ASP S 319 ? 0.9489 0.6567 0.6962 -0.0173 -0.0177 -0.0107 319 ASP a CG +27918 O OD1 . ASP S 319 ? 0.9030 0.6075 0.6461 -0.0126 -0.0171 -0.0101 319 ASP a OD1 +27919 O OD2 . ASP S 319 ? 0.9121 0.6169 0.6576 -0.0204 -0.0186 -0.0126 319 ASP a OD2 +27920 N N . ILE S 320 ? 0.8880 0.6277 0.6617 -0.0228 -0.0184 -0.0078 320 ILE a N +27921 C CA . ILE S 320 ? 0.8848 0.6322 0.6654 -0.0243 -0.0181 -0.0065 320 ILE a CA +27922 C C . ILE S 320 ? 0.7824 0.5380 0.5674 -0.0205 -0.0182 -0.0053 320 ILE a C +27923 O O . ILE S 320 ? 0.8249 0.5843 0.6129 -0.0193 -0.0175 -0.0037 320 ILE a O +27924 C CB . ILE S 320 ? 0.8615 0.6130 0.6470 -0.0293 -0.0189 -0.0077 320 ILE a CB +27925 C CG1 . ILE S 320 ? 0.8563 0.5997 0.6376 -0.0333 -0.0187 -0.0091 320 ILE a CG1 +27926 C CG2 . ILE S 320 ? 0.7575 0.5167 0.5500 -0.0308 -0.0185 -0.0064 320 ILE a CG2 +27927 C CD1 . ILE S 320 ? 0.8705 0.6084 0.6491 -0.0342 -0.0171 -0.0080 320 ILE a CD1 +27928 N N A ILE S 321 ? 0.8759 0.6340 0.6609 -0.0187 -0.0191 -0.0061 321 ILE a N +27929 N N B ILE S 321 ? 0.8779 0.6360 0.6629 -0.0187 -0.0191 -0.0061 321 ILE a N +27930 C CA A ILE S 321 ? 0.8048 0.5698 0.5932 -0.0150 -0.0190 -0.0050 321 ILE a CA +27931 C CA B ILE S 321 ? 0.8048 0.5698 0.5932 -0.0149 -0.0190 -0.0049 321 ILE a CA +27932 C C A ILE S 321 ? 0.8717 0.6340 0.6571 -0.0108 -0.0179 -0.0036 321 ILE a C +27933 C C B ILE S 321 ? 0.8743 0.6365 0.6596 -0.0108 -0.0179 -0.0036 321 ILE a C +27934 O O A ILE S 321 ? 0.8085 0.5766 0.5979 -0.0088 -0.0175 -0.0022 321 ILE a O +27935 O O B ILE S 321 ? 0.8100 0.5780 0.5993 -0.0087 -0.0175 -0.0022 321 ILE a O +27936 C CB A ILE S 321 ? 0.8038 0.5701 0.5911 -0.0135 -0.0199 -0.0061 321 ILE a CB +27937 C CB B ILE S 321 ? 0.8032 0.5695 0.5906 -0.0135 -0.0199 -0.0061 321 ILE a CB +27938 C CG1 A ILE S 321 ? 0.7740 0.5447 0.5653 -0.0172 -0.0212 -0.0072 321 ILE a CG1 +27939 C CG1 B ILE S 321 ? 0.7726 0.5436 0.5641 -0.0171 -0.0212 -0.0072 321 ILE a CG1 +27940 C CG2 A ILE S 321 ? 0.8283 0.6000 0.6176 -0.0091 -0.0194 -0.0050 321 ILE a CG2 +27941 C CG2 B ILE S 321 ? 0.8289 0.6004 0.6180 -0.0090 -0.0194 -0.0049 321 ILE a CG2 +27942 C CD1 A ILE S 321 ? 0.7882 0.5589 0.5773 -0.0159 -0.0222 -0.0085 321 ILE a CD1 +27943 C CD1 B ILE S 321 ? 0.7890 0.5596 0.5781 -0.0160 -0.0222 -0.0085 321 ILE a CD1 +27944 N N A ASN S 322 ? 0.8363 0.5896 0.6147 -0.0095 -0.0175 -0.0042 322 ASN a N +27945 N N B ASN S 322 ? 0.8368 0.5901 0.6150 -0.0093 -0.0175 -0.0042 322 ASN a N +27946 C CA A ASN S 322 ? 0.8240 0.5742 0.5990 -0.0052 -0.0166 -0.0031 322 ASN a CA +27947 C CA B ASN S 322 ? 0.8241 0.5744 0.5991 -0.0050 -0.0166 -0.0031 322 ASN a CA +27948 C C A ASN S 322 ? 0.8463 0.5972 0.6232 -0.0057 -0.0159 -0.0015 322 ASN a C +27949 C C B ASN S 322 ? 0.8488 0.5998 0.6257 -0.0056 -0.0159 -0.0015 322 ASN a C +27950 O O A ASN S 322 ? 0.7818 0.5350 0.5595 -0.0022 -0.0154 -0.0003 322 ASN a O +27951 O O B ASN S 322 ? 0.7808 0.5344 0.5588 -0.0021 -0.0155 -0.0002 322 ASN a O +27952 C CB A ASN S 322 ? 0.7987 0.5385 0.5654 -0.0038 -0.0164 -0.0041 322 ASN a CB +27953 C CB B ASN S 322 ? 0.7977 0.5375 0.5643 -0.0037 -0.0164 -0.0041 322 ASN a CB +27954 C CG A ASN S 322 ? 0.8743 0.6116 0.6374 0.0016 -0.0157 -0.0032 322 ASN a CG +27955 C CG B ASN S 322 ? 0.8765 0.6138 0.6396 0.0016 -0.0157 -0.0032 322 ASN a CG +27956 O OD1 A ASN S 322 ? 0.8577 0.6013 0.6239 0.0049 -0.0156 -0.0027 322 ASN a OD1 +27957 O OD1 B ASN S 322 ? 0.8591 0.6026 0.6253 0.0050 -0.0155 -0.0026 322 ASN a OD1 +27958 N ND2 A ASN S 322 ? 0.8148 0.5433 0.5717 0.0026 -0.0151 -0.0031 322 ASN a ND2 +27959 N ND2 B ASN S 322 ? 0.8149 0.5431 0.5715 0.0025 -0.0151 -0.0032 322 ASN a ND2 +27960 N N A ARG S 323 ? 0.7176 0.4668 0.4954 -0.0101 -0.0158 -0.0017 323 ARG a N +27961 N N B ARG S 323 ? 0.7141 0.4632 0.4917 -0.0100 -0.0159 -0.0017 323 ARG a N +27962 C CA A ARG S 323 ? 0.8192 0.5692 0.5987 -0.0108 -0.0151 -0.0002 323 ARG a CA +27963 C CA B ARG S 323 ? 0.8201 0.5701 0.5996 -0.0108 -0.0152 -0.0003 323 ARG a CA +27964 C C A ARG S 323 ? 0.8289 0.5893 0.6159 -0.0100 -0.0153 0.0009 323 ARG a C +27965 C C B ARG S 323 ? 0.8305 0.5907 0.6173 -0.0098 -0.0153 0.0009 323 ARG a C +27966 O O A ARG S 323 ? 0.7874 0.5495 0.5754 -0.0078 -0.0148 0.0023 323 ARG a O +27967 O O B ARG S 323 ? 0.7888 0.5507 0.5765 -0.0074 -0.0148 0.0023 323 ARG a O +27968 C CB A ARG S 323 ? 0.7941 0.5404 0.5732 -0.0160 -0.0148 -0.0007 323 ARG a CB +27969 C CB B ARG S 323 ? 0.7942 0.5410 0.5737 -0.0161 -0.0149 -0.0009 323 ARG a CB +27970 C CG A ARG S 323 ? 0.7596 0.4949 0.5311 -0.0172 -0.0145 -0.0018 323 ARG a CG +27971 C CG B ARG S 323 ? 0.7584 0.4943 0.5303 -0.0173 -0.0145 -0.0019 323 ARG a CG +27972 C CD A ARG S 323 ? 0.7946 0.5226 0.5597 -0.0136 -0.0137 -0.0008 323 ARG a CD +27973 C CD B ARG S 323 ? 0.7920 0.5209 0.5578 -0.0136 -0.0137 -0.0008 323 ARG a CD +27974 N NE A ARG S 323 ? 0.8446 0.5739 0.6114 -0.0136 -0.0129 0.0008 323 ARG a NE +27975 N NE B ARG S 323 ? 0.8437 0.5733 0.6108 -0.0139 -0.0129 0.0008 323 ARG a NE +27976 C CZ A ARG S 323 ? 0.9265 0.6509 0.6888 -0.0103 -0.0123 0.0020 323 ARG a CZ +27977 C CZ B ARG S 323 ? 0.9271 0.6517 0.6897 -0.0107 -0.0123 0.0019 323 ARG a CZ +27978 N NH1 A ARG S 323 ? 0.8811 0.5989 0.6371 -0.0067 -0.0123 0.0017 323 ARG a NH1 +27979 N NH1 B ARG S 323 ? 0.8838 0.6024 0.6404 -0.0068 -0.0124 0.0017 323 ARG a NH1 +27980 N NH2 A ARG S 323 ? 0.8566 0.5826 0.6206 -0.0106 -0.0117 0.0034 323 ARG a NH2 +27981 N NH2 B ARG S 323 ? 0.8592 0.5848 0.6231 -0.0112 -0.0117 0.0033 323 ARG a NH2 +27982 N N A ALA S 324 ? 0.8122 0.5794 0.6044 -0.0118 -0.0161 0.0003 324 ALA a N +27983 N N B ALA S 324 ? 0.8136 0.5808 0.6057 -0.0117 -0.0161 0.0003 324 ALA a N +27984 C CA A ALA S 324 ? 0.7864 0.5631 0.5854 -0.0110 -0.0162 0.0013 324 ALA a CA +27985 C CA B ALA S 324 ? 0.7873 0.5641 0.5863 -0.0109 -0.0162 0.0013 324 ALA a CA +27986 C C A ALA S 324 ? 0.7523 0.5316 0.5512 -0.0060 -0.0161 0.0021 324 ALA a C +27987 C C B ALA S 324 ? 0.7520 0.5314 0.5509 -0.0059 -0.0160 0.0021 324 ALA a C +27988 O O A ALA S 324 ? 0.7309 0.5147 0.5329 -0.0042 -0.0157 0.0034 324 ALA a O +27989 O O B ALA S 324 ? 0.7301 0.5142 0.5323 -0.0041 -0.0157 0.0034 324 ALA a O +27990 C CB A ALA S 324 ? 0.7009 0.4835 0.5046 -0.0138 -0.0171 0.0004 324 ALA a CB +27991 C CB B ALA S 324 ? 0.7001 0.4828 0.5039 -0.0136 -0.0171 0.0005 324 ALA a CB +27992 N N A ASN S 325 ? 0.7284 0.5049 0.5236 -0.0037 -0.0162 0.0012 325 ASN a N +27993 N N B ASN S 325 ? 0.7275 0.5041 0.5226 -0.0036 -0.0162 0.0012 325 ASN a N +27994 C CA A ASN S 325 ? 0.7629 0.5415 0.5577 0.0011 -0.0159 0.0017 325 ASN a CA +27995 C CA B ASN S 325 ? 0.7617 0.5406 0.5567 0.0012 -0.0159 0.0018 325 ASN a CA +27996 C C A ASN S 325 ? 0.7764 0.5520 0.5688 0.0039 -0.0152 0.0029 325 ASN a C +27997 C C B ASN S 325 ? 0.7760 0.5518 0.5685 0.0041 -0.0152 0.0029 325 ASN a C +27998 O O A ASN S 325 ? 0.7770 0.5577 0.5724 0.0068 -0.0150 0.0039 325 ASN a O +27999 O O B ASN S 325 ? 0.7784 0.5593 0.5738 0.0071 -0.0150 0.0039 325 ASN a O +28000 C CB A ASN S 325 ? 0.7753 0.5494 0.5651 0.0030 -0.0160 0.0005 325 ASN a CB +28001 C CB B ASN S 325 ? 0.7753 0.5504 0.5657 0.0031 -0.0160 0.0006 325 ASN a CB +28002 C CG A ASN S 325 ? 0.8247 0.6027 0.6169 0.0010 -0.0167 -0.0006 325 ASN a CG +28003 C CG B ASN S 325 ? 0.8259 0.6045 0.6187 0.0009 -0.0167 -0.0005 325 ASN a CG +28004 O OD1 A ASN S 325 ? 0.7934 0.5781 0.5914 -0.0013 -0.0171 -0.0002 325 ASN a OD1 +28005 O OD1 B ASN S 325 ? 0.7922 0.5775 0.5907 -0.0014 -0.0171 -0.0001 325 ASN a OD1 +28006 N ND2 A ASN S 325 ? 0.8223 0.5959 0.6099 0.0021 -0.0169 -0.0018 325 ASN a ND2 +28007 N ND2 B ASN S 325 ? 0.8246 0.5987 0.6128 0.0016 -0.0170 -0.0018 325 ASN a ND2 +28008 N N A LEU S 326 ? 0.8026 0.5698 0.5896 0.0029 -0.0150 0.0027 326 LEU a N +28009 N N B LEU S 326 ? 0.8031 0.5706 0.5902 0.0031 -0.0150 0.0027 326 LEU a N +28010 C CA A LEU S 326 ? 0.8096 0.5731 0.5937 0.0056 -0.0145 0.0038 326 LEU a CA +28011 C CA B LEU S 326 ? 0.8107 0.5744 0.5949 0.0057 -0.0145 0.0038 326 LEU a CA +28012 C C A LEU S 326 ? 0.8144 0.5840 0.6038 0.0049 -0.0144 0.0052 326 LEU a C +28013 C C B LEU S 326 ? 0.8161 0.5859 0.6057 0.0050 -0.0144 0.0052 326 LEU a C +28014 O O A LEU S 326 ? 0.7638 0.5355 0.5539 0.0083 -0.0143 0.0062 326 LEU a O +28015 O O B LEU S 326 ? 0.7636 0.5354 0.5538 0.0083 -0.0143 0.0062 326 LEU a O +28016 C CB A LEU S 326 ? 0.7295 0.4824 0.5066 0.0041 -0.0142 0.0033 326 LEU a CB +28017 C CB B LEU S 326 ? 0.7262 0.4794 0.5034 0.0042 -0.0142 0.0033 326 LEU a CB +28018 C CG A LEU S 326 ? 0.8452 0.5901 0.6152 0.0062 -0.0141 0.0022 326 LEU a CG +28019 C CG B LEU S 326 ? 0.8469 0.5920 0.6171 0.0061 -0.0141 0.0022 326 LEU a CG +28020 C CD1 A LEU S 326 ? 0.8271 0.5622 0.5911 0.0032 -0.0139 0.0015 326 LEU a CD1 +28021 C CD1 B LEU S 326 ? 0.8272 0.5626 0.5915 0.0029 -0.0139 0.0015 326 LEU a CD1 +28022 C CD2 A LEU S 326 ? 0.7892 0.5324 0.5561 0.0119 -0.0138 0.0028 326 LEU a CD2 +28023 C CD2 B LEU S 326 ? 0.7891 0.5323 0.5561 0.0117 -0.0138 0.0028 326 LEU a CD2 +28024 N N A GLY S 327 ? 0.7989 0.5715 0.5922 0.0005 -0.0145 0.0052 327 GLY a N +28025 N N B GLY S 327 ? 0.7998 0.5725 0.5932 0.0006 -0.0145 0.0052 327 GLY a N +28026 C CA A GLY S 327 ? 0.8321 0.6107 0.6306 -0.0003 -0.0145 0.0064 327 GLY a CA +28027 C CA B GLY S 327 ? 0.8348 0.6138 0.6336 -0.0002 -0.0145 0.0064 327 GLY a CA +28028 C C A GLY S 327 ? 0.8021 0.5895 0.6061 0.0024 -0.0147 0.0070 327 GLY a C +28029 C C B GLY S 327 ? 0.8028 0.5905 0.6069 0.0026 -0.0148 0.0070 327 GLY a C +28030 O O A GLY S 327 ? 0.8283 0.6189 0.6344 0.0043 -0.0147 0.0082 327 GLY a O +28031 O O B GLY S 327 ? 0.8311 0.6216 0.6370 0.0046 -0.0147 0.0081 327 GLY a O +28032 N N A MET S 328 ? 0.7664 0.5578 0.5726 0.0028 -0.0150 0.0063 328 MET a N +28033 N N B MET S 328 ? 0.7675 0.5592 0.5739 0.0027 -0.0151 0.0063 328 MET a N +28034 C CA A MET S 328 ? 0.7050 0.5045 0.5160 0.0053 -0.0151 0.0068 328 MET a CA +28035 C CA B MET S 328 ? 0.7027 0.5024 0.5138 0.0053 -0.0151 0.0068 328 MET a CA +28036 C C A MET S 328 ? 0.7910 0.5890 0.5993 0.0102 -0.0148 0.0072 328 MET a C +28037 C C B MET S 328 ? 0.7923 0.5904 0.6007 0.0102 -0.0148 0.0072 328 MET a C +28038 O O A MET S 328 ? 0.7848 0.5883 0.5967 0.0124 -0.0148 0.0081 328 MET a O +28039 O O B MET S 328 ? 0.7875 0.5913 0.5996 0.0124 -0.0148 0.0081 328 MET a O +28040 C CB A MET S 328 ? 0.6869 0.4899 0.4999 0.0046 -0.0154 0.0059 328 MET a CB +28041 C CB B MET S 328 ? 0.6857 0.4888 0.4987 0.0046 -0.0154 0.0059 328 MET a CB +28042 C CG A MET S 328 ? 0.7501 0.5540 0.5651 0.0001 -0.0159 0.0053 328 MET a CG +28043 C CG B MET S 328 ? 0.7519 0.5559 0.5670 0.0001 -0.0159 0.0052 328 MET a CG +28044 S SD A MET S 328 ? 0.7973 0.6028 0.6122 0.0001 -0.0163 0.0040 328 MET a SD +28045 S SD B MET S 328 ? 0.7995 0.6049 0.6144 -0.0001 -0.0164 0.0039 328 MET a SD +28046 C CE A MET S 328 ? 0.7695 0.5716 0.5836 -0.0050 -0.0171 0.0028 328 MET a CE +28047 C CE B MET S 328 ? 0.7693 0.5706 0.5828 -0.0051 -0.0171 0.0027 328 MET a CE +28048 N N A GLU S 329 ? 0.7022 0.4929 0.5043 0.0119 -0.0147 0.0065 329 GLU a N +28049 N N B GLU S 329 ? 0.7001 0.4907 0.5021 0.0118 -0.0147 0.0065 329 GLU a N +28050 C CA A GLU S 329 ? 0.7791 0.5682 0.5784 0.0168 -0.0144 0.0066 329 GLU a CA +28051 C CA B GLU S 329 ? 0.7800 0.5691 0.5793 0.0167 -0.0144 0.0066 329 GLU a CA +28052 C C A GLU S 329 ? 0.7811 0.5693 0.5799 0.0186 -0.0144 0.0078 329 GLU a C +28053 C C B GLU S 329 ? 0.7821 0.5703 0.5809 0.0186 -0.0144 0.0078 329 GLU a C +28054 O O A GLU S 329 ? 0.7735 0.5663 0.5748 0.0220 -0.0145 0.0084 329 GLU a O +28055 O O B GLU S 329 ? 0.7752 0.5678 0.5762 0.0221 -0.0144 0.0083 329 GLU a O +28056 C CB A GLU S 329 ? 0.7841 0.5646 0.5762 0.0181 -0.0142 0.0055 329 GLU a CB +28057 C CB B GLU S 329 ? 0.7838 0.5642 0.5758 0.0180 -0.0142 0.0055 329 GLU a CB +28058 C CG A GLU S 329 ? 0.8638 0.6396 0.6511 0.0228 -0.0140 0.0057 329 GLU a CG +28059 C CG B GLU S 329 ? 0.8646 0.6410 0.6523 0.0229 -0.0139 0.0057 329 GLU a CG +28060 C CD A GLU S 329 ? 0.8984 0.6645 0.6780 0.0235 -0.0138 0.0046 329 GLU a CD +28061 C CD B GLU S 329 ? 0.8992 0.6658 0.6790 0.0238 -0.0138 0.0046 329 GLU a CD +28062 O OE1 A GLU S 329 ? 0.8872 0.6524 0.6658 0.0219 -0.0138 0.0035 329 GLU a OE1 +28063 O OE1 B GLU S 329 ? 0.8957 0.6614 0.6744 0.0226 -0.0137 0.0035 329 GLU a OE1 +28064 O OE2 A GLU S 329 ? 0.9463 0.7053 0.7204 0.0256 -0.0137 0.0048 329 GLU a OE2 +28065 O OE2 B GLU S 329 ? 0.9471 0.7066 0.7216 0.0255 -0.0137 0.0048 329 GLU a OE2 +28066 N N A VAL S 330 ? 0.7220 0.5042 0.5175 0.0164 -0.0144 0.0080 330 VAL a N +28067 N N B VAL S 330 ? 0.7201 0.5026 0.5159 0.0163 -0.0144 0.0081 330 VAL a N +28068 C CA A VAL S 330 ? 0.7984 0.5784 0.5921 0.0184 -0.0145 0.0091 330 VAL a CA +28069 C CA B VAL S 330 ? 0.7978 0.5782 0.5919 0.0183 -0.0145 0.0091 330 VAL a CA +28070 C C A VAL S 330 ? 0.8017 0.5898 0.6020 0.0178 -0.0148 0.0101 330 VAL a C +28071 C C B VAL S 330 ? 0.8036 0.5923 0.6043 0.0179 -0.0148 0.0102 330 VAL a C +28072 O O A VAL S 330 ? 0.8284 0.6172 0.6285 0.0206 -0.0151 0.0110 330 VAL a O +28073 O O B VAL S 330 ? 0.8317 0.6209 0.6321 0.0207 -0.0151 0.0110 330 VAL a O +28074 C CB A VAL S 330 ? 0.7946 0.5649 0.5821 0.0164 -0.0143 0.0092 330 VAL a CB +28075 C CB B VAL S 330 ? 0.7928 0.5638 0.5809 0.0161 -0.0143 0.0092 330 VAL a CB +28076 C CG1 A VAL S 330 ? 0.7368 0.4983 0.5173 0.0172 -0.0140 0.0081 330 VAL a CG1 +28077 C CG1 B VAL S 330 ? 0.7381 0.5001 0.5191 0.0168 -0.0140 0.0081 330 VAL a CG1 +28078 C CG2 A VAL S 330 ? 0.6690 0.4405 0.4593 0.0110 -0.0141 0.0093 330 VAL a CG2 +28079 C CG2 B VAL S 330 ? 0.6630 0.4356 0.4542 0.0108 -0.0141 0.0093 330 VAL a CG2 +28080 N N A MET S 331 ? 0.7525 0.5470 0.5585 0.0145 -0.0148 0.0101 331 MET a N +28081 N N B MET S 331 ? 0.7527 0.5477 0.5590 0.0146 -0.0149 0.0101 331 MET a N +28082 C CA A MET S 331 ? 0.7090 0.5109 0.5210 0.0137 -0.0151 0.0110 331 MET a CA +28083 C CA B MET S 331 ? 0.7075 0.5099 0.5199 0.0138 -0.0151 0.0110 331 MET a CA +28084 C C A MET S 331 ? 0.7637 0.5743 0.5813 0.0161 -0.0153 0.0111 331 MET a C +28085 C C B MET S 331 ? 0.7630 0.5741 0.5809 0.0161 -0.0153 0.0111 331 MET a C +28086 O O A MET S 331 ? 0.7951 0.6111 0.6167 0.0169 -0.0155 0.0119 331 MET a O +28087 O O B MET S 331 ? 0.7960 0.6127 0.6181 0.0169 -0.0155 0.0119 331 MET a O +28088 C CB A MET S 331 ? 0.7385 0.5424 0.5537 0.0088 -0.0150 0.0110 331 MET a CB +28089 C CB B MET S 331 ? 0.7381 0.5425 0.5536 0.0089 -0.0150 0.0110 331 MET a CB +28090 C CG A MET S 331 ? 0.7365 0.5336 0.5478 0.0062 -0.0147 0.0112 331 MET a CG +28091 C CG B MET S 331 ? 0.7375 0.5349 0.5490 0.0063 -0.0147 0.0112 331 MET a CG +28092 S SD A MET S 331 ? 0.8007 0.5947 0.6091 0.0088 -0.0148 0.0125 331 MET a SD +28093 S SD B MET S 331 ? 0.8009 0.5956 0.6098 0.0087 -0.0148 0.0125 331 MET a SD +28094 C CE A MET S 331 ? 0.7323 0.5363 0.5484 0.0086 -0.0152 0.0134 331 MET a CE +28095 C CE B MET S 331 ? 0.7419 0.5473 0.5589 0.0088 -0.0152 0.0133 331 MET a CE +28096 N N A HIS S 332 ? 0.7182 0.5304 0.5361 0.0170 -0.0150 0.0104 332 HIS a N +28097 N N B HIS S 332 ? 0.7187 0.5313 0.5369 0.0170 -0.0150 0.0103 332 HIS a N +28098 C CA A HIS S 332 ? 0.7438 0.5645 0.5673 0.0186 -0.0150 0.0105 332 HIS a CA +28099 C CA B HIS S 332 ? 0.7448 0.5658 0.5685 0.0186 -0.0150 0.0105 332 HIS a CA +28100 C C A HIS S 332 ? 0.6895 0.5121 0.5132 0.0231 -0.0151 0.0110 332 HIS a C +28101 C C B HIS S 332 ? 0.6898 0.5127 0.5138 0.0230 -0.0150 0.0109 332 HIS a C +28102 O O A HIS S 332 ? 0.7121 0.5289 0.5307 0.0260 -0.0150 0.0107 332 HIS a O +28103 O O B HIS S 332 ? 0.7129 0.5301 0.5317 0.0259 -0.0150 0.0107 332 HIS a O +28104 C CB A HIS S 332 ? 0.6966 0.5180 0.5198 0.0187 -0.0146 0.0096 332 HIS a CB +28105 C CB B HIS S 332 ? 0.6944 0.5160 0.5177 0.0187 -0.0146 0.0095 332 HIS a CB +28106 C CG A HIS S 332 ? 0.7650 0.5837 0.5845 0.0229 -0.0142 0.0090 332 HIS a CG +28107 C CG B HIS S 332 ? 0.7656 0.5843 0.5851 0.0228 -0.0142 0.0090 332 HIS a CG +28108 N ND1 A HIS S 332 ? 0.7792 0.5893 0.5919 0.0243 -0.0142 0.0086 332 HIS a ND1 +28109 N ND1 B HIS S 332 ? 0.7828 0.5928 0.5954 0.0241 -0.0142 0.0085 332 HIS a ND1 +28110 C CD2 A HIS S 332 ? 0.7458 0.5693 0.5675 0.0260 -0.0137 0.0089 332 HIS a CD2 +28111 C CD2 B HIS S 332 ? 0.7472 0.5705 0.5687 0.0259 -0.0137 0.0088 332 HIS a CD2 +28112 C CE1 A HIS S 332 ? 0.7330 0.5427 0.5438 0.0282 -0.0138 0.0081 332 HIS a CE1 +28113 C CE1 B HIS S 332 ? 0.7310 0.5404 0.5416 0.0280 -0.0138 0.0080 332 HIS a CE1 +28114 N NE2 A HIS S 332 ? 0.7181 0.5360 0.5344 0.0293 -0.0134 0.0083 332 HIS a NE2 +28115 N NE2 B HIS S 332 ? 0.7155 0.5330 0.5315 0.0291 -0.0134 0.0082 332 HIS a NE2 +28116 N N A GLU S 333 ? 0.6983 0.5289 0.5280 0.0237 -0.0152 0.0115 333 GLU a N +28117 N N B GLU S 333 ? 0.6980 0.5289 0.5279 0.0236 -0.0152 0.0115 333 GLU a N +28118 C CA A GLU S 333 ? 0.6883 0.5223 0.5194 0.0278 -0.0154 0.0118 333 GLU a CA +28119 C CA B GLU S 333 ? 0.6861 0.5205 0.5176 0.0277 -0.0153 0.0118 333 GLU a CA +28120 C C A GLU S 333 ? 0.7637 0.5915 0.5900 0.0299 -0.0159 0.0122 333 GLU a C +28121 C C B GLU S 333 ? 0.7653 0.5933 0.5917 0.0297 -0.0159 0.0122 333 GLU a C +28122 O O A GLU S 333 ? 0.6991 0.5240 0.5220 0.0337 -0.0159 0.0119 333 GLU a O +28123 O O B GLU S 333 ? 0.6973 0.5219 0.5200 0.0335 -0.0159 0.0119 333 GLU a O +28124 C CB A GLU S 333 ? 0.7280 0.5635 0.5589 0.0308 -0.0147 0.0111 333 GLU a CB +28125 C CB B GLU S 333 ? 0.7283 0.5645 0.5597 0.0307 -0.0147 0.0111 333 GLU a CB +28126 C CG A GLU S 333 ? 0.7010 0.5440 0.5375 0.0293 -0.0141 0.0109 333 GLU a CG +28127 C CG B GLU S 333 ? 0.6983 0.5410 0.5346 0.0290 -0.0141 0.0109 333 GLU a CG +28128 C CD A GLU S 333 ? 0.7741 0.6172 0.6092 0.0315 -0.0132 0.0101 333 GLU a CD +28129 C CD B GLU S 333 ? 0.7786 0.6210 0.6132 0.0313 -0.0132 0.0101 333 GLU a CD +28130 O OE1 A GLU S 333 ? 0.7913 0.6293 0.6215 0.0346 -0.0131 0.0096 333 GLU a OE1 +28131 O OE1 B GLU S 333 ? 0.7894 0.6262 0.6189 0.0342 -0.0131 0.0096 333 GLU a OE1 +28132 O OE2 A GLU S 333 ? 0.7558 0.6040 0.5945 0.0303 -0.0127 0.0100 333 GLU a OE2 +28133 O OE2 B GLU S 333 ? 0.7581 0.6054 0.5961 0.0302 -0.0126 0.0099 333 GLU a OE2 +28134 N N A ARG S 334 ? 0.6992 0.5252 0.5252 0.0273 -0.0163 0.0128 334 ARG a N +28135 N N B ARG S 334 ? 0.6989 0.5252 0.5251 0.0272 -0.0163 0.0128 334 ARG a N +28136 C CA A ARG S 334 ? 0.7303 0.5484 0.5504 0.0279 -0.0166 0.0132 334 ARG a CA +28137 C CA B ARG S 334 ? 0.7294 0.5478 0.5497 0.0278 -0.0166 0.0132 334 ARG a CA +28138 C C A ARG S 334 ? 0.7566 0.5747 0.5755 0.0324 -0.0173 0.0136 334 ARG a C +28139 C C B ARG S 334 ? 0.7581 0.5764 0.5771 0.0325 -0.0173 0.0135 334 ARG a C +28140 O O A ARG S 334 ? 0.7614 0.5719 0.5742 0.0339 -0.0176 0.0138 334 ARG a O +28141 O O B ARG S 334 ? 0.7612 0.5720 0.5741 0.0340 -0.0175 0.0137 334 ARG a O +28142 C CB A ARG S 334 ? 0.7141 0.5318 0.5353 0.0239 -0.0168 0.0138 334 ARG a CB +28143 C CB B ARG S 334 ? 0.7131 0.5311 0.5345 0.0239 -0.0168 0.0138 334 ARG a CB +28144 C CG A ARG S 334 ? 0.7218 0.5467 0.5485 0.0241 -0.0174 0.0146 334 ARG a CG +28145 C CG B ARG S 334 ? 0.7213 0.5466 0.5483 0.0243 -0.0174 0.0146 334 ARG a CG +28146 C CD A ARG S 334 ? 0.6325 0.4596 0.4623 0.0196 -0.0172 0.0150 334 ARG a CD +28147 C CD B ARG S 334 ? 0.6305 0.4579 0.4605 0.0199 -0.0173 0.0150 334 ARG a CD +28148 N NE A ARG S 334 ? 0.7518 0.5864 0.5872 0.0201 -0.0178 0.0156 334 ARG a NE +28149 N NE B ARG S 334 ? 0.7589 0.5934 0.5941 0.0205 -0.0179 0.0156 334 ARG a NE +28150 C CZ A ARG S 334 ? 0.7660 0.6085 0.6072 0.0204 -0.0178 0.0154 334 ARG a CZ +28151 C CZ B ARG S 334 ? 0.7684 0.6111 0.6097 0.0207 -0.0179 0.0154 334 ARG a CZ +28152 N NH1 A ARG S 334 ? 0.7475 0.5919 0.5903 0.0198 -0.0173 0.0148 334 ARG a NH1 +28153 N NH1 B ARG S 334 ? 0.7467 0.5916 0.5898 0.0199 -0.0173 0.0148 334 ARG a NH1 +28154 N NH2 A ARG S 334 ? 0.7132 0.5617 0.5588 0.0215 -0.0184 0.0158 334 ARG a NH2 +28155 N NH2 B ARG S 334 ? 0.7086 0.5571 0.5541 0.0218 -0.0185 0.0159 334 ARG a NH2 +28156 N N A ASN S 335 ? 0.7270 0.5532 0.5513 0.0347 -0.0176 0.0136 335 ASN a N +28157 N N B ASN S 335 ? 0.7282 0.5547 0.5528 0.0347 -0.0176 0.0136 335 ASN a N +28158 C CA A ASN S 335 ? 0.7376 0.5648 0.5615 0.0391 -0.0185 0.0139 335 ASN a CA +28159 C CA B ASN S 335 ? 0.7376 0.5650 0.5616 0.0391 -0.0184 0.0138 335 ASN a CA +28160 C C A ASN S 335 ? 0.8048 0.6344 0.6292 0.0432 -0.0182 0.0131 335 ASN a C +28161 C C B ASN S 335 ? 0.8086 0.6387 0.6333 0.0431 -0.0181 0.0131 335 ASN a C +28162 O O A ASN S 335 ? 0.7805 0.6125 0.6056 0.0471 -0.0189 0.0132 335 ASN a O +28163 O O B ASN S 335 ? 0.7881 0.6205 0.6135 0.0471 -0.0188 0.0131 335 ASN a O +28164 C CB A ASN S 335 ? 0.7219 0.5568 0.5518 0.0387 -0.0192 0.0145 335 ASN a CB +28165 C CB B ASN S 335 ? 0.7225 0.5574 0.5524 0.0388 -0.0192 0.0144 335 ASN a CB +28166 C CG A ASN S 335 ? 0.7544 0.5869 0.5836 0.0352 -0.0195 0.0152 335 ASN a CG +28167 C CG B ASN S 335 ? 0.7569 0.5896 0.5862 0.0351 -0.0194 0.0152 335 ASN a CG +28168 O OD1 A ASN S 335 ? 0.7742 0.5990 0.5975 0.0352 -0.0197 0.0156 335 ASN a OD1 +28169 O OD1 B ASN S 335 ? 0.7801 0.6047 0.6034 0.0346 -0.0195 0.0155 335 ASN a OD1 +28170 N ND2 A ASN S 335 ? 0.7107 0.5498 0.5458 0.0321 -0.0195 0.0155 335 ASN a ND2 +28171 N ND2 B ASN S 335 ? 0.7096 0.5491 0.5449 0.0324 -0.0195 0.0154 335 ASN a ND2 +28172 N N A ALA S 336 ? 0.7774 0.6066 0.6014 0.0425 -0.0172 0.0124 336 ALA a N +28173 N N B ALA S 336 ? 0.7745 0.6042 0.5989 0.0423 -0.0171 0.0124 336 ALA a N +28174 C CA A ALA S 336 ? 0.7652 0.5985 0.5911 0.0459 -0.0167 0.0117 336 ALA a CA +28175 C CA B ALA S 336 ? 0.7652 0.5989 0.5914 0.0457 -0.0166 0.0117 336 ALA a CA +28176 C C A ALA S 336 ? 0.8540 0.6799 0.6732 0.0493 -0.0164 0.0111 336 ALA a C +28177 C C B ALA S 336 ? 0.8588 0.6851 0.6783 0.0492 -0.0163 0.0110 336 ALA a C +28178 O O A ALA S 336 ? 0.8334 0.6624 0.6537 0.0530 -0.0161 0.0105 336 ALA a O +28179 O O B ALA S 336 ? 0.8378 0.6671 0.6583 0.0528 -0.0159 0.0104 336 ALA a O +28180 C CB A ALA S 336 ? 0.7469 0.5852 0.5769 0.0432 -0.0157 0.0113 336 ALA a CB +28181 C CB B ALA S 336 ? 0.7420 0.5807 0.5723 0.0430 -0.0155 0.0113 336 ALA a CB +28182 N N A HIS S 337 ? 0.7235 0.5398 0.5358 0.0482 -0.0165 0.0111 337 HIS a N +28183 N N B HIS S 337 ? 0.7213 0.5381 0.5340 0.0481 -0.0164 0.0110 337 HIS a N +28184 C CA A HIS S 337 ? 0.7674 0.5759 0.5728 0.0512 -0.0162 0.0104 337 HIS a CA +28185 C CA B HIS S 337 ? 0.7657 0.5745 0.5714 0.0512 -0.0162 0.0104 337 HIS a CA +28186 C C A HIS S 337 ? 0.7720 0.5745 0.5723 0.0544 -0.0171 0.0109 337 HIS a C +28187 C C B HIS S 337 ? 0.7717 0.5748 0.5725 0.0542 -0.0171 0.0109 337 HIS a C +28188 O O A HIS S 337 ? 0.8234 0.6220 0.6216 0.0523 -0.0177 0.0116 337 HIS a O +28189 O O B HIS S 337 ? 0.8237 0.6232 0.6226 0.0521 -0.0177 0.0116 337 HIS a O +28190 C CB A HIS S 337 ? 0.6681 0.4695 0.4689 0.0478 -0.0156 0.0099 337 HIS a CB +28191 C CB B HIS S 337 ? 0.6654 0.4670 0.4663 0.0478 -0.0155 0.0099 337 HIS a CB +28192 C CG A HIS S 337 ? 0.7949 0.6017 0.6005 0.0441 -0.0149 0.0096 337 HIS a CG +28193 C CG B HIS S 337 ? 0.7968 0.6037 0.6025 0.0439 -0.0149 0.0097 337 HIS a CG +28194 N ND1 A HIS S 337 ? 0.7783 0.5883 0.5877 0.0397 -0.0151 0.0102 337 HIS a ND1 +28195 N ND1 B HIS S 337 ? 0.7799 0.5894 0.5890 0.0394 -0.0151 0.0102 337 HIS a ND1 +28196 C CD2 A HIS S 337 ? 0.7411 0.5508 0.5481 0.0445 -0.0141 0.0088 337 HIS a CD2 +28197 C CD2 B HIS S 337 ? 0.7405 0.5508 0.5480 0.0441 -0.0141 0.0089 337 HIS a CD2 +28198 C CE1 A HIS S 337 ? 0.7691 0.5836 0.5820 0.0375 -0.0145 0.0098 337 HIS a CE1 +28199 C CE1 B HIS S 337 ? 0.7692 0.5832 0.5819 0.0370 -0.0146 0.0098 337 HIS a CE1 +28200 N NE2 A HIS S 337 ? 0.7658 0.5800 0.5772 0.0402 -0.0139 0.0090 337 HIS a NE2 +28201 N NE2 B HIS S 337 ? 0.7679 0.5824 0.5797 0.0398 -0.0139 0.0090 337 HIS a NE2 +28202 N N A ASN S 338 ? 0.8374 0.6391 0.6357 0.0595 -0.0173 0.0104 338 ASN a N +28203 N N B ASN S 338 ? 0.8369 0.6394 0.6358 0.0594 -0.0173 0.0104 338 ASN a N +28204 C CA A ASN S 338 ? 0.8488 0.6439 0.6413 0.0632 -0.0182 0.0107 338 ASN a CA +28205 C CA B ASN S 338 ? 0.8526 0.6483 0.6456 0.0630 -0.0182 0.0107 338 ASN a CA +28206 C C A ASN S 338 ? 0.7830 0.5671 0.5668 0.0647 -0.0178 0.0102 338 ASN a C +28207 C C B ASN S 338 ? 0.7790 0.5639 0.5634 0.0644 -0.0177 0.0102 338 ASN a C +28208 O O A ASN S 338 ? 0.8309 0.6070 0.6083 0.0664 -0.0184 0.0106 338 ASN a O +28209 O O B ASN S 338 ? 0.8342 0.6110 0.6123 0.0660 -0.0184 0.0106 338 ASN a O +28210 C CB A ASN S 338 ? 0.7732 0.5748 0.5692 0.0684 -0.0189 0.0106 338 ASN a CB +28211 C CB B ASN S 338 ? 0.7728 0.5751 0.5694 0.0683 -0.0189 0.0106 338 ASN a CB +28212 C CG A ASN S 338 ? 0.8489 0.6604 0.6529 0.0672 -0.0196 0.0111 338 ASN a CG +28213 C CG B ASN S 338 ? 0.8486 0.6607 0.6530 0.0671 -0.0196 0.0111 338 ASN a CG +28214 O OD1 A ASN S 338 ? 0.7873 0.5991 0.5926 0.0631 -0.0198 0.0119 338 ASN a OD1 +28215 O OD1 B ASN S 338 ? 0.7900 0.6027 0.5961 0.0629 -0.0197 0.0118 338 ASN a OD1 +28216 N ND2 A ASN S 338 ? 0.7406 0.5602 0.5497 0.0707 -0.0199 0.0107 338 ASN a ND2 +28217 N ND2 B ASN S 338 ? 0.7373 0.5573 0.5467 0.0708 -0.0200 0.0108 338 ASN a ND2 +28218 N N A PHE S 339 ? 0.8200 0.6033 0.6030 0.0641 -0.0167 0.0093 339 PHE a N +28219 N N B PHE S 339 ? 0.8192 0.6031 0.6028 0.0637 -0.0167 0.0093 339 PHE a N +28220 C CA A PHE S 339 ? 0.8537 0.6271 0.6287 0.0659 -0.0162 0.0085 339 PHE a CA +28221 C CA B PHE S 339 ? 0.8503 0.6243 0.6259 0.0654 -0.0162 0.0086 339 PHE a CA +28222 C C A PHE S 339 ? 0.8456 0.6142 0.6182 0.0608 -0.0155 0.0082 339 PHE a C +28223 C C B PHE S 339 ? 0.8449 0.6139 0.6180 0.0603 -0.0155 0.0082 339 PHE a C +28224 O O A PHE S 339 ? 0.8405 0.6150 0.6185 0.0567 -0.0152 0.0083 339 PHE a O +28225 O O B PHE S 339 ? 0.8420 0.6167 0.6204 0.0562 -0.0152 0.0084 339 PHE a O +28226 C CB A PHE S 339 ? 0.7923 0.5692 0.5683 0.0707 -0.0157 0.0075 339 PHE a CB +28227 C CB B PHE S 339 ? 0.7875 0.5650 0.5641 0.0701 -0.0157 0.0076 339 PHE a CB +28228 C CG A PHE S 339 ? 0.8410 0.6245 0.6209 0.0753 -0.0165 0.0078 339 PHE a CG +28229 C CG B PHE S 339 ? 0.8399 0.6237 0.6202 0.0748 -0.0165 0.0078 339 PHE a CG +28230 C CD1 A PHE S 339 ? 0.8903 0.6688 0.6659 0.0785 -0.0177 0.0083 339 PHE a CD1 +28231 C CD1 B PHE S 339 ? 0.8959 0.6747 0.6719 0.0779 -0.0176 0.0084 339 PHE a CD1 +28232 C CD2 A PHE S 339 ? 0.8259 0.6207 0.6139 0.0762 -0.0161 0.0075 339 PHE a CD2 +28233 C CD2 B PHE S 339 ? 0.8259 0.6209 0.6141 0.0760 -0.0161 0.0075 339 PHE a CD2 +28234 C CE1 A PHE S 339 ? 0.8493 0.6342 0.6288 0.0826 -0.0187 0.0085 339 PHE a CE1 +28235 C CE1 B PHE S 339 ? 0.8501 0.6351 0.6298 0.0822 -0.0186 0.0085 339 PHE a CE1 +28236 C CE2 A PHE S 339 ? 0.8415 0.6429 0.6337 0.0802 -0.0170 0.0077 339 PHE a CE2 +28237 C CE2 B PHE S 339 ? 0.8431 0.6444 0.6352 0.0802 -0.0169 0.0076 339 PHE a CE2 +28238 C CZ A PHE S 339 ? 0.8623 0.6589 0.6503 0.0834 -0.0183 0.0081 339 PHE a CZ +28239 C CZ B PHE S 339 ? 0.8637 0.6601 0.6516 0.0833 -0.0183 0.0081 339 PHE a CZ +28240 N N A PRO S 340 ? 0.8257 0.5835 0.5902 0.0609 -0.0152 0.0077 340 PRO a N +28241 N N B PRO S 340 ? 0.8262 0.5844 0.5911 0.0604 -0.0152 0.0077 340 PRO a N +28242 C CA A PRO S 340 ? 0.8461 0.5982 0.6078 0.0554 -0.0148 0.0075 340 PRO a CA +28243 C CA B PRO S 340 ? 0.8454 0.5980 0.6076 0.0550 -0.0148 0.0076 340 PRO a CA +28244 C C A PRO S 340 ? 0.8773 0.6329 0.6418 0.0526 -0.0141 0.0066 340 PRO a C +28245 C C B PRO S 340 ? 0.8784 0.6346 0.6435 0.0523 -0.0141 0.0066 340 PRO a C +28246 O O A PRO S 340 ? 0.8717 0.6250 0.6360 0.0477 -0.0139 0.0065 340 PRO a O +28247 O O B PRO S 340 ? 0.8676 0.6222 0.6329 0.0473 -0.0139 0.0065 340 PRO a O +28248 C CB A PRO S 340 ? 0.8199 0.5593 0.5718 0.0569 -0.0148 0.0072 340 PRO a CB +28249 C CB B PRO S 340 ? 0.8172 0.5570 0.5696 0.0565 -0.0148 0.0072 340 PRO a CB +28250 C CG A PRO S 340 ? 0.8676 0.6067 0.6174 0.0632 -0.0149 0.0068 340 PRO a CG +28251 C CG B PRO S 340 ? 0.8683 0.6078 0.6186 0.0628 -0.0149 0.0068 340 PRO a CG +28252 C CD A PRO S 340 ? 0.8156 0.5653 0.5728 0.0657 -0.0154 0.0074 340 PRO a CD +28253 C CD B PRO S 340 ? 0.8135 0.5636 0.5711 0.0653 -0.0155 0.0075 340 PRO a CD +28254 N N A LEU S 341 ? 0.7622 0.5230 0.5293 0.0555 -0.0136 0.0059 341 LEU a N +28255 N N B LEU S 341 ? 0.7595 0.5206 0.5269 0.0553 -0.0136 0.0059 341 LEU a N +28256 C CA A LEU S 341 ? 0.8076 0.5708 0.5765 0.0531 -0.0129 0.0049 341 LEU a CA +28257 C CA B LEU S 341 ? 0.8059 0.5694 0.5750 0.0531 -0.0129 0.0049 341 LEU a CA +28258 C C A LEU S 341 ? 0.8032 0.5783 0.5808 0.0528 -0.0127 0.0052 341 LEU a C +28259 C C B LEU S 341 ? 0.8037 0.5793 0.5816 0.0528 -0.0126 0.0052 341 LEU a C +28260 O O A LEU S 341 ? 0.8343 0.6153 0.6153 0.0567 -0.0126 0.0054 341 LEU a O +28261 O O B LEU S 341 ? 0.8370 0.6184 0.6182 0.0567 -0.0126 0.0054 341 LEU a O +28262 C CB A LEU S 341 ? 0.8404 0.5983 0.6037 0.0564 -0.0123 0.0037 341 LEU a CB +28263 C CB B LEU S 341 ? 0.8397 0.5978 0.6032 0.0565 -0.0123 0.0037 341 LEU a CB +28264 C CG A LEU S 341 ? 0.9316 0.6768 0.6855 0.0575 -0.0124 0.0033 341 LEU a CG +28265 C CG B LEU S 341 ? 0.9338 0.6792 0.6879 0.0570 -0.0124 0.0033 341 LEU a CG +28266 C CD1 A LEU S 341 ? 0.9378 0.6793 0.6871 0.0613 -0.0118 0.0020 341 LEU a CD1 +28267 C CD1 B LEU S 341 ? 0.9384 0.6797 0.6878 0.0609 -0.0118 0.0020 341 LEU a CD1 +28268 C CD2 A LEU S 341 ? 0.9081 0.6469 0.6589 0.0519 -0.0126 0.0031 341 LEU a CD2 +28269 C CD2 B LEU S 341 ? 0.9120 0.6518 0.6637 0.0512 -0.0125 0.0031 341 LEU a CD2 +28270 N N A ASP S 342 ? 0.8128 0.5916 0.5940 0.0482 -0.0125 0.0052 342 ASP a N +28271 N N B ASP S 342 ? 0.8131 0.5922 0.5946 0.0482 -0.0125 0.0052 342 ASP a N +28272 C CA A ASP S 342 ? 0.7841 0.5736 0.5732 0.0473 -0.0122 0.0054 342 ASP a CA +28273 C CA B ASP S 342 ? 0.7821 0.5720 0.5716 0.0472 -0.0122 0.0054 342 ASP a CA +28274 C C A ASP S 342 ? 0.8384 0.6286 0.6265 0.0488 -0.0112 0.0043 342 ASP a C +28275 C C B ASP S 342 ? 0.8384 0.6296 0.6274 0.0485 -0.0113 0.0044 342 ASP a C +28276 O O A ASP S 342 ? 0.8529 0.6410 0.6396 0.0458 -0.0111 0.0036 342 ASP a O +28277 O O B ASP S 342 ? 0.8459 0.6371 0.6351 0.0453 -0.0111 0.0039 342 ASP a O +28278 C CB A ASP S 342 ? 0.7348 0.5270 0.5276 0.0419 -0.0126 0.0059 342 ASP a CB +28279 C CB B ASP S 342 ? 0.7303 0.5227 0.5234 0.0417 -0.0126 0.0060 342 ASP a CB +28280 C CG A ASP S 342 ? 0.8176 0.6207 0.6187 0.0408 -0.0124 0.0064 342 ASP a CG +28281 C CG B ASP S 342 ? 0.8203 0.6235 0.6216 0.0406 -0.0124 0.0065 342 ASP a CG +28282 O OD1 A ASP S 342 ? 0.7678 0.5769 0.5723 0.0441 -0.0119 0.0064 342 ASP a OD1 +28283 O OD1 B ASP S 342 ? 0.7638 0.5731 0.5686 0.0438 -0.0120 0.0065 342 ASP a OD1 +28284 O OD2 A ASP S 342 ? 0.8386 0.6441 0.6428 0.0366 -0.0127 0.0067 342 ASP a OD2 +28285 O OD2 B ASP S 342 ? 0.8421 0.6477 0.6465 0.0363 -0.0127 0.0067 342 ASP a OD2 +28286 N N A LEU S 343 ? 0.8320 0.6251 0.6208 0.0535 -0.0106 0.0040 343 LEU a N +28287 N N B LEU S 343 ? 0.8319 0.6244 0.6202 0.0534 -0.0107 0.0040 343 LEU a N +28288 C CA A LEU S 343 ? 0.8201 0.6127 0.6068 0.0556 -0.0096 0.0029 343 LEU a CA +28289 C CA B LEU S 343 ? 0.8189 0.6110 0.6053 0.0553 -0.0097 0.0030 343 LEU a CA +28290 C C A LEU S 343 ? 0.8949 0.6971 0.6881 0.0548 -0.0087 0.0030 343 LEU a C +28291 C C B LEU S 343 ? 0.9026 0.7042 0.6955 0.0543 -0.0088 0.0030 343 LEU a C +28292 O O A LEU S 343 ? 0.8348 0.6373 0.6267 0.0563 -0.0077 0.0021 343 LEU a O +28293 O O B LEU S 343 ? 0.8293 0.6305 0.6206 0.0549 -0.0079 0.0021 343 LEU a O +28294 C CB A LEU S 343 ? 0.8147 0.6046 0.5978 0.0613 -0.0092 0.0025 343 LEU a CB +28295 C CB B LEU S 343 ? 0.8145 0.6040 0.5975 0.0611 -0.0092 0.0025 343 LEU a CB +28296 C CG A LEU S 343 ? 0.8331 0.6119 0.6083 0.0625 -0.0099 0.0023 343 LEU a CG +28297 C CG B LEU S 343 ? 0.8343 0.6130 0.6094 0.0626 -0.0099 0.0023 343 LEU a CG +28298 C CD1 A LEU S 343 ? 0.8173 0.5940 0.5893 0.0686 -0.0096 0.0019 343 LEU a CD1 +28299 C CD1 B LEU S 343 ? 0.8161 0.5935 0.5886 0.0688 -0.0096 0.0019 343 LEU a CD1 +28300 C CD2 A LEU S 343 ? 0.7613 0.5316 0.5303 0.0596 -0.0098 0.0014 343 LEU a CD2 +28301 C CD2 B LEU S 343 ? 0.7589 0.5287 0.5274 0.0600 -0.0098 0.0013 343 LEU a CD2 +28302 N N A ALA S 344 ? 0.9132 0.7230 0.7132 0.0526 -0.0090 0.0039 344 ALA a N +28303 N N B ALA S 344 ? 0.9174 0.7271 0.7173 0.0530 -0.0091 0.0040 344 ALA a N +28304 C CA A ALA S 344 ? 0.8653 0.6837 0.6714 0.0512 -0.0082 0.0041 344 ALA a CA +28305 C CA B ALA S 344 ? 0.8670 0.6852 0.6730 0.0513 -0.0083 0.0041 344 ALA a CA +28306 C C A ALA S 344 ? 0.8592 0.6822 0.6706 0.0476 -0.0091 0.0051 344 ALA a C +28307 C C B ALA S 344 ? 0.8613 0.6840 0.6725 0.0474 -0.0091 0.0051 344 ALA a C +28308 O O A ALA S 344 ? 0.8158 0.6438 0.6313 0.0446 -0.0088 0.0054 344 ALA a O +28309 O O B ALA S 344 ? 0.8132 0.6398 0.6276 0.0442 -0.0089 0.0052 344 ALA a O +28310 C CB A ALA S 344 ? 0.7912 0.6163 0.6009 0.0553 -0.0071 0.0040 344 ALA a CB +28311 C CB B ALA S 344 ? 0.7902 0.6155 0.6001 0.0552 -0.0072 0.0040 344 ALA a CB +28312 O OXT A ALA S 344 ? 0.8147 0.6362 0.6259 0.0478 -0.0100 0.0057 344 ALA a OXT +28313 O OXT B ALA S 344 ? 0.8175 0.6399 0.6295 0.0475 -0.0100 0.0058 344 ALA a OXT +28314 N N . GLY T 1 ? 0.9517 0.8437 0.8050 0.0101 -0.0564 0.0157 2 GLY b N +28315 C CA . GLY T 1 ? 0.8297 0.7272 0.6903 0.0093 -0.0578 0.0143 2 GLY b CA +28316 C C . GLY T 1 ? 0.8551 0.7567 0.7202 0.0074 -0.0586 0.0123 2 GLY b C +28317 O O . GLY T 1 ? 0.8337 0.7338 0.6960 0.0069 -0.0584 0.0119 2 GLY b O +28318 N N . LEU T 2 ? 0.7024 0.6091 0.5744 0.0064 -0.0595 0.0111 3 LEU b N +28319 C CA . LEU T 2 ? 0.6764 0.5867 0.5528 0.0042 -0.0597 0.0094 3 LEU b CA +28320 C C . LEU T 2 ? 0.7900 0.6995 0.6671 0.0021 -0.0562 0.0104 3 LEU b C +28321 O O . LEU T 2 ? 0.7570 0.6659 0.6350 0.0016 -0.0538 0.0120 3 LEU b O +28322 C CB . LEU T 2 ? 0.7720 0.6879 0.6557 0.0035 -0.0610 0.0080 3 LEU b CB +28323 C CG . LEU T 2 ? 0.8806 0.7988 0.7653 0.0053 -0.0648 0.0064 3 LEU b CG +28324 C CD1 . LEU T 2 ? 0.9700 0.8937 0.8621 0.0045 -0.0653 0.0054 3 LEU b CD1 +28325 C CD2 . LEU T 2 ? 0.7192 0.6380 0.6027 0.0050 -0.0671 0.0045 3 LEU b CD2 +28326 N N . PRO T 3 ? 0.7831 0.6924 0.6596 0.0008 -0.0559 0.0096 4 PRO b N +28327 C CA . PRO T 3 ? 0.7351 0.6444 0.6132 -0.0013 -0.0528 0.0102 4 PRO b CA +28328 C C . PRO T 3 ? 0.7694 0.6835 0.6547 -0.0032 -0.0525 0.0094 4 PRO b C +28329 O O . PRO T 3 ? 0.7069 0.6243 0.5959 -0.0031 -0.0547 0.0080 4 PRO b O +28330 C CB . PRO T 3 ? 0.6999 0.6075 0.5750 -0.0018 -0.0532 0.0092 4 PRO b CB +28331 C CG . PRO T 3 ? 0.7804 0.6864 0.6513 0.0002 -0.0563 0.0083 4 PRO b CG +28332 C CD . PRO T 3 ? 0.7489 0.6576 0.6228 0.0013 -0.0585 0.0079 4 PRO b CD +28333 N N . TRP T 4 ? 0.7132 0.6274 0.6004 -0.0048 -0.0496 0.0103 5 TRP b N +28334 C CA . TRP T 4 ? 0.7637 0.6818 0.6572 -0.0064 -0.0489 0.0099 5 TRP b CA +28335 C C . TRP T 4 ? 0.7217 0.6430 0.6189 -0.0078 -0.0506 0.0078 5 TRP b C +28336 O O . TRP T 4 ? 0.7373 0.6624 0.6396 -0.0085 -0.0513 0.0069 5 TRP b O +28337 C CB . TRP T 4 ? 0.7087 0.6262 0.6031 -0.0078 -0.0457 0.0112 5 TRP b CB +28338 C CG . TRP T 4 ? 0.6628 0.5791 0.5558 -0.0089 -0.0448 0.0107 5 TRP b CG +28339 C CD1 . TRP T 4 ? 0.6667 0.5794 0.5547 -0.0083 -0.0437 0.0115 5 TRP b CD1 +28340 C CD2 . TRP T 4 ? 0.6091 0.5275 0.5055 -0.0108 -0.0447 0.0095 5 TRP b CD2 +28341 N NE1 . TRP T 4 ? 0.6567 0.5692 0.5448 -0.0095 -0.0431 0.0107 5 TRP b NE1 +28342 C CE2 . TRP T 4 ? 0.6800 0.5957 0.5730 -0.0111 -0.0436 0.0095 5 TRP b CE2 +28343 C CE3 . TRP T 4 ? 0.7000 0.6220 0.6017 -0.0123 -0.0452 0.0083 5 TRP b CE3 +28344 C CZ2 . TRP T 4 ? 0.6590 0.5754 0.5537 -0.0128 -0.0433 0.0085 5 TRP b CZ2 +28345 C CZ3 . TRP T 4 ? 0.6834 0.6060 0.5867 -0.0141 -0.0447 0.0073 5 TRP b CZ3 +28346 C CH2 . TRP T 4 ? 0.6904 0.6101 0.5902 -0.0143 -0.0438 0.0074 5 TRP b CH2 +28347 N N A TYR T 5 ? 0.6433 0.5631 0.5380 -0.0083 -0.0511 0.0069 6 TYR b N +28348 N N B TYR T 5 ? 0.6428 0.5626 0.5374 -0.0083 -0.0511 0.0069 6 TYR b N +28349 C CA A TYR T 5 ? 0.7275 0.6500 0.6255 -0.0099 -0.0526 0.0048 6 TYR b CA +28350 C CA B TYR T 5 ? 0.7294 0.6519 0.6274 -0.0099 -0.0526 0.0048 6 TYR b CA +28351 C C A TYR T 5 ? 0.6913 0.6163 0.5907 -0.0090 -0.0559 0.0032 6 TYR b C +28352 C C B TYR T 5 ? 0.6921 0.6171 0.5916 -0.0090 -0.0559 0.0032 6 TYR b C +28353 O O A TYR T 5 ? 0.6894 0.6168 0.5918 -0.0104 -0.0572 0.0013 6 TYR b O +28354 O O B TYR T 5 ? 0.6903 0.6179 0.5930 -0.0104 -0.0572 0.0013 6 TYR b O +28355 C CB A TYR T 5 ? 0.6622 0.5819 0.5567 -0.0106 -0.0522 0.0043 6 TYR b CB +28356 C CB B TYR T 5 ? 0.6609 0.5806 0.5555 -0.0106 -0.0522 0.0043 6 TYR b CB +28357 C CG A TYR T 5 ? 0.7402 0.6557 0.6280 -0.0087 -0.0528 0.0048 6 TYR b CG +28358 C CG B TYR T 5 ? 0.7410 0.6566 0.6289 -0.0087 -0.0528 0.0048 6 TYR b CG +28359 C CD1 A TYR T 5 ? 0.7452 0.6603 0.6307 -0.0078 -0.0557 0.0033 6 TYR b CD1 +28360 C CD1 B TYR T 5 ? 0.7467 0.6618 0.6322 -0.0078 -0.0557 0.0033 6 TYR b CD1 +28361 C CD2 A TYR T 5 ? 0.6451 0.5573 0.5290 -0.0078 -0.0505 0.0067 6 TYR b CD2 +28362 C CD2 B TYR T 5 ? 0.6431 0.5554 0.5271 -0.0078 -0.0505 0.0067 6 TYR b CD2 +28363 C CE1 A TYR T 5 ? 0.7233 0.6342 0.6021 -0.0060 -0.0563 0.0038 6 TYR b CE1 +28364 C CE1 B TYR T 5 ? 0.7227 0.6337 0.6016 -0.0059 -0.0563 0.0038 6 TYR b CE1 +28365 C CE2 A TYR T 5 ? 0.6858 0.5942 0.5635 -0.0061 -0.0508 0.0072 6 TYR b CE2 +28366 C CE2 B TYR T 5 ? 0.6840 0.5924 0.5618 -0.0061 -0.0508 0.0072 6 TYR b CE2 +28367 C CZ A TYR T 5 ? 0.7455 0.6530 0.6204 -0.0051 -0.0537 0.0058 6 TYR b CZ +28368 C CZ B TYR T 5 ? 0.7453 0.6529 0.6203 -0.0051 -0.0537 0.0058 6 TYR b CZ +28369 O OH A TYR T 5 ? 0.7674 0.6708 0.6357 -0.0033 -0.0541 0.0063 6 TYR b OH +28370 O OH B TYR T 5 ? 0.7657 0.6691 0.6340 -0.0034 -0.0541 0.0063 6 TYR b OH +28371 N N . ARG T 6 ? 0.6245 0.5489 0.5220 -0.0067 -0.0572 0.0038 7 ARG b N +28372 C CA . ARG T 6 ? 0.7253 0.6523 0.6244 -0.0056 -0.0605 0.0022 7 ARG b CA +28373 C C . ARG T 6 ? 0.7408 0.6708 0.6436 -0.0045 -0.0611 0.0025 7 ARG b C +28374 O O . ARG T 6 ? 0.7797 0.7120 0.6837 -0.0032 -0.0639 0.0012 7 ARG b O +28375 C CB . ARG T 6 ? 0.7059 0.6293 0.5985 -0.0033 -0.0626 0.0022 7 ARG b CB +28376 C CG . ARG T 6 ? 0.6929 0.6142 0.5822 -0.0040 -0.0632 0.0012 7 ARG b CG +28377 C CD . ARG T 6 ? 0.8102 0.7281 0.6930 -0.0016 -0.0655 0.0010 7 ARG b CD +28378 N NE . ARG T 6 ? 0.8276 0.7422 0.7061 -0.0022 -0.0652 0.0006 7 ARG b NE +28379 C CZ . ARG T 6 ? 0.8917 0.8019 0.7633 -0.0004 -0.0659 0.0010 7 ARG b CZ +28380 N NH1 . ARG T 6 ? 0.8259 0.7341 0.6937 0.0021 -0.0671 0.0019 7 ARG b NH1 +28381 N NH2 . ARG T 6 ? 0.7189 0.6263 0.5870 -0.0012 -0.0653 0.0005 7 ARG b NH2 +28382 N N . VAL T 7 ? 0.7266 0.6567 0.6313 -0.0050 -0.0586 0.0039 8 VAL b N +28383 C CA . VAL T 7 ? 0.7375 0.6694 0.6445 -0.0036 -0.0590 0.0044 8 VAL b CA +28384 C C . VAL T 7 ? 0.7160 0.6533 0.6288 -0.0038 -0.0612 0.0024 8 VAL b C +28385 O O . VAL T 7 ? 0.7635 0.7021 0.6772 -0.0019 -0.0628 0.0023 8 VAL b O +28386 C CB . VAL T 7 ? 0.6145 0.5460 0.5231 -0.0044 -0.0559 0.0061 8 VAL b CB +28387 C CG1 . VAL T 7 ? 0.6438 0.5703 0.5468 -0.0037 -0.0541 0.0082 8 VAL b CG1 +28388 C CG2 . VAL T 7 ? 0.6521 0.5858 0.5649 -0.0072 -0.0541 0.0056 8 VAL b CG2 +28389 N N . HIS T 8 ? 0.6620 0.6022 0.5786 -0.0061 -0.0612 0.0008 9 HIS b N +28390 C CA . HIS T 8 ? 0.7148 0.6606 0.6377 -0.0067 -0.0628 -0.0011 9 HIS b CA +28391 C C . HIS T 8 ? 0.8101 0.7577 0.7328 -0.0055 -0.0664 -0.0030 9 HIS b C +28392 O O . HIS T 8 ? 0.7002 0.6527 0.6281 -0.0058 -0.0681 -0.0048 9 HIS b O +28393 C CB . HIS T 8 ? 0.6159 0.5642 0.5433 -0.0099 -0.0610 -0.0019 9 HIS b CB +28394 C CG . HIS T 8 ? 0.7420 0.6900 0.6712 -0.0110 -0.0579 -0.0005 9 HIS b CG +28395 N ND1 . HIS T 8 ? 0.6518 0.6004 0.5834 -0.0137 -0.0558 -0.0006 9 HIS b ND1 +28396 C CD2 . HIS T 8 ? 0.6959 0.6429 0.6246 -0.0097 -0.0566 0.0012 9 HIS b CD2 +28397 C CE1 . HIS T 8 ? 0.7123 0.6605 0.6449 -0.0139 -0.0534 0.0008 9 HIS b CE1 +28398 N NE2 . HIS T 8 ? 0.6490 0.5963 0.5800 -0.0117 -0.0538 0.0019 9 HIS b NE2 +28399 N N . THR T 9 ? 0.6319 0.5755 0.5485 -0.0042 -0.0678 -0.0028 10 THR b N +28400 C CA . THR T 9 ? 0.7487 0.6937 0.6646 -0.0028 -0.0715 -0.0046 10 THR b CA +28401 C C . THR T 9 ? 0.7491 0.6956 0.6654 0.0001 -0.0737 -0.0046 10 THR b C +28402 O O . THR T 9 ? 0.7621 0.7110 0.6790 0.0014 -0.0770 -0.0064 10 THR b O +28403 C CB . THR T 9 ? 0.7276 0.6675 0.6363 -0.0020 -0.0723 -0.0043 10 THR b CB +28404 O OG1 . THR T 9 ? 0.7362 0.6713 0.6391 0.0001 -0.0712 -0.0020 10 THR b OG1 +28405 C CG2 . THR T 9 ? 0.7011 0.6393 0.6090 -0.0047 -0.0701 -0.0043 10 THR b CG2 +28406 N N . VAL T 10 ? 0.7031 0.6486 0.6194 0.0013 -0.0720 -0.0028 11 VAL b N +28407 C CA . VAL T 10 ? 0.7088 0.6556 0.6255 0.0042 -0.0740 -0.0028 11 VAL b CA +28408 C C . VAL T 10 ? 0.7782 0.7319 0.7024 0.0039 -0.0756 -0.0049 11 VAL b C +28409 O O . VAL T 10 ? 0.7462 0.7015 0.6713 0.0065 -0.0777 -0.0054 11 VAL b O +28410 C CB . VAL T 10 ? 0.7538 0.6975 0.6685 0.0054 -0.0717 -0.0004 11 VAL b CB +28411 C CG1 . VAL T 10 ? 0.6756 0.6127 0.5830 0.0058 -0.0700 0.0017 11 VAL b CG1 +28412 C CG2 . VAL T 10 ? 0.6733 0.6201 0.5939 0.0030 -0.0688 -0.0002 11 VAL b CG2 +28413 N N . LEU T 11 ? 0.7439 0.7014 0.6735 0.0008 -0.0746 -0.0063 12 LEU b N +28414 C CA . LEU T 11 ? 0.7348 0.6990 0.6718 0.0001 -0.0759 -0.0085 12 LEU b CA +28415 C C . LEU T 11 ? 0.7082 0.6756 0.6467 -0.0001 -0.0793 -0.0110 12 LEU b C +28416 O O . LEU T 11 ? 0.7142 0.6876 0.6587 -0.0001 -0.0810 -0.0130 12 LEU b O +28417 C CB . LEU T 11 ? 0.7029 0.6697 0.6451 -0.0033 -0.0729 -0.0086 12 LEU b CB +28418 C CG . LEU T 11 ? 0.7273 0.6922 0.6695 -0.0037 -0.0694 -0.0065 12 LEU b CG +28419 C CD1 . LEU T 11 ? 0.6539 0.6199 0.5993 -0.0073 -0.0666 -0.0067 12 LEU b CD1 +28420 C CD2 . LEU T 11 ? 0.6871 0.6551 0.6329 -0.0018 -0.0698 -0.0065 12 LEU b CD2 +28421 N N . ILE T 12 ? 0.6616 0.6252 0.5948 -0.0003 -0.0803 -0.0111 13 ILE b N +28422 C CA . ILE T 12 ? 0.8720 0.8384 0.8066 -0.0010 -0.0833 -0.0137 13 ILE b CA +28423 C C . ILE T 12 ? 0.8409 0.8120 0.7785 0.0016 -0.0871 -0.0154 13 ILE b C +28424 O O . ILE T 12 ? 0.8158 0.7927 0.7593 0.0003 -0.0889 -0.0179 13 ILE b O +28425 C CB . ILE T 12 ? 0.8051 0.7658 0.7322 -0.0006 -0.0841 -0.0132 13 ILE b CB +28426 C CG1 . ILE T 12 ? 0.7828 0.7402 0.7084 -0.0036 -0.0806 -0.0122 13 ILE b CG1 +28427 C CG2 . ILE T 12 ? 0.7980 0.7613 0.7258 -0.0006 -0.0879 -0.0159 13 ILE b CG2 +28428 C CD1 . ILE T 12 ? 0.7199 0.6711 0.6378 -0.0031 -0.0805 -0.0112 13 ILE b CD1 +28429 N N . ASN T 13 ? 0.7056 0.6742 0.6393 0.0052 -0.0883 -0.0141 14 ASN b N +28430 C CA . ASN T 13 ? 0.8845 0.8575 0.8211 0.0080 -0.0919 -0.0157 14 ASN b CA +28431 C C . ASN T 13 ? 0.8713 0.8466 0.8113 0.0097 -0.0910 -0.0149 14 ASN b C +28432 O O . ASN T 13 ? 0.8652 0.8399 0.8031 0.0133 -0.0932 -0.0147 14 ASN b O +28433 C CB . ASN T 13 ? 1.1317 1.1006 1.0610 0.0113 -0.0951 -0.0155 14 ASN b CB +28434 C CG . ASN T 13 ? 1.3957 1.3666 1.3253 0.0106 -0.0983 -0.0180 14 ASN b CG +28435 O OD1 . ASN T 13 ? 1.4032 1.3803 1.3382 0.0110 -0.1013 -0.0204 14 ASN b OD1 +28436 N ND2 . ASN T 13 ? 1.3378 1.3039 1.2620 0.0092 -0.0976 -0.0175 14 ASN b ND2 +28437 N N . ASP T 14 ? 0.7577 0.7355 0.7028 0.0072 -0.0878 -0.0146 15 ASP b N +28438 C CA . ASP T 14 ? 0.8160 0.7961 0.7647 0.0084 -0.0865 -0.0139 15 ASP b CA +28439 C C . ASP T 14 ? 0.7216 0.7081 0.6788 0.0053 -0.0849 -0.0155 15 ASP b C +28440 O O . ASP T 14 ? 0.8172 0.8026 0.7755 0.0027 -0.0814 -0.0144 15 ASP b O +28441 C CB . ASP T 14 ? 0.7552 0.7290 0.6989 0.0089 -0.0834 -0.0109 15 ASP b CB +28442 C CG . ASP T 14 ? 0.7702 0.7452 0.7161 0.0110 -0.0826 -0.0101 15 ASP b CG +28443 O OD1 . ASP T 14 ? 0.7830 0.7643 0.7356 0.0111 -0.0834 -0.0118 15 ASP b OD1 +28444 O OD2 . ASP T 14 ? 0.7776 0.7472 0.7184 0.0124 -0.0811 -0.0077 15 ASP b OD2 +28445 N N . PRO T 15 ? 0.8469 0.8401 0.8100 0.0052 -0.0875 -0.0182 16 PRO b N +28446 C CA . PRO T 15 ? 0.6888 0.6879 0.6598 0.0017 -0.0858 -0.0199 16 PRO b CA +28447 C C . PRO T 15 ? 0.7408 0.7415 0.7155 0.0014 -0.0827 -0.0189 16 PRO b C +28448 O O . PRO T 15 ? 0.7684 0.7702 0.7463 -0.0019 -0.0797 -0.0188 16 PRO b O +28449 C CB . PRO T 15 ? 0.7217 0.7278 0.6981 0.0025 -0.0895 -0.0229 16 PRO b CB +28450 C CG . PRO T 15 ? 0.6789 0.6815 0.6491 0.0053 -0.0931 -0.0230 16 PRO b CG +28451 C CD . PRO T 15 ? 0.7717 0.7674 0.7347 0.0080 -0.0920 -0.0200 16 PRO b CD +28452 N N . GLY T 16 ? 0.8011 0.8014 0.7749 0.0049 -0.0834 -0.0180 17 GLY b N +28453 C CA . GLY T 16 ? 0.7482 0.7496 0.7251 0.0048 -0.0806 -0.0170 17 GLY b CA +28454 C C . GLY T 16 ? 0.7331 0.7285 0.7057 0.0031 -0.0768 -0.0145 17 GLY b C +28455 O O . GLY T 16 ? 0.6845 0.6814 0.6607 0.0011 -0.0739 -0.0141 17 GLY b O +28456 N N . ARG T 17 ? 0.7088 0.6976 0.6741 0.0039 -0.0769 -0.0126 18 ARG b N +28457 C CA . ARG T 17 ? 0.6851 0.6689 0.6470 0.0020 -0.0733 -0.0104 18 ARG b CA +28458 C C . ARG T 17 ? 0.7359 0.7198 0.6989 -0.0019 -0.0717 -0.0110 18 ARG b C +28459 O O . ARG T 17 ? 0.7089 0.6914 0.6723 -0.0041 -0.0685 -0.0098 18 ARG b O +28460 C CB . ARG T 17 ? 0.6569 0.6335 0.6107 0.0043 -0.0735 -0.0081 18 ARG b CB +28461 C CG . ARG T 17 ? 0.6118 0.5872 0.5646 0.0073 -0.0734 -0.0069 18 ARG b CG +28462 C CD . ARG T 17 ? 0.7167 0.6847 0.6618 0.0090 -0.0726 -0.0044 18 ARG b CD +28463 N NE . ARG T 17 ? 0.7625 0.7296 0.7074 0.0114 -0.0722 -0.0034 18 ARG b NE +28464 C CZ . ARG T 17 ? 0.8277 0.7888 0.7668 0.0130 -0.0713 -0.0012 18 ARG b CZ +28465 N NH1 . ARG T 17 ? 0.6981 0.6536 0.6309 0.0127 -0.0707 0.0003 18 ARG b NH1 +28466 N NH2 . ARG T 17 ? 0.7435 0.7043 0.6833 0.0149 -0.0708 -0.0006 18 ARG b NH2 +28467 N N . LEU T 18 ? 0.6170 0.6027 0.5805 -0.0027 -0.0740 -0.0128 19 LEU b N +28468 C CA . LEU T 18 ? 0.6897 0.6765 0.6554 -0.0065 -0.0726 -0.0137 19 LEU b CA +28469 C C . LEU T 18 ? 0.6628 0.6547 0.6357 -0.0089 -0.0705 -0.0146 19 LEU b C +28470 O O . LEU T 18 ? 0.6690 0.6594 0.6421 -0.0117 -0.0675 -0.0139 19 LEU b O +28471 C CB . LEU T 18 ? 0.7211 0.7098 0.6870 -0.0069 -0.0757 -0.0158 19 LEU b CB +28472 C CG . LEU T 18 ? 0.6930 0.6820 0.6604 -0.0109 -0.0745 -0.0169 19 LEU b CG +28473 C CD1 . LEU T 18 ? 0.6984 0.6804 0.6590 -0.0117 -0.0727 -0.0149 19 LEU b CD1 +28474 C CD2 . LEU T 18 ? 0.7294 0.7221 0.6990 -0.0112 -0.0779 -0.0195 19 LEU b CD2 +28475 N N . ILE T 19 ? 0.6870 0.6849 0.6655 -0.0077 -0.0719 -0.0163 20 ILE b N +28476 C CA . ILE T 19 ? 0.6151 0.6180 0.6004 -0.0097 -0.0698 -0.0172 20 ILE b CA +28477 C C . ILE T 19 ? 0.6917 0.6913 0.6754 -0.0098 -0.0663 -0.0149 20 ILE b C +28478 O O . ILE T 19 ? 0.6573 0.6576 0.6434 -0.0127 -0.0635 -0.0148 20 ILE b O +28479 C CB . ILE T 19 ? 0.6904 0.7001 0.6815 -0.0077 -0.0721 -0.0192 20 ILE b CB +28480 C CG1 . ILE T 19 ? 0.6641 0.6784 0.6585 -0.0086 -0.0751 -0.0219 20 ILE b CG1 +28481 C CG2 . ILE T 19 ? 0.6281 0.6423 0.6254 -0.0088 -0.0696 -0.0196 20 ILE b CG2 +28482 C CD1 . ILE T 19 ? 0.6370 0.6573 0.6359 -0.0057 -0.0783 -0.0238 20 ILE b CD1 +28483 N N . ALA T 20 ? 0.6416 0.6374 0.6210 -0.0068 -0.0666 -0.0131 21 ALA b N +28484 C CA . ALA T 20 ? 0.6192 0.6116 0.5968 -0.0070 -0.0635 -0.0110 21 ALA b CA +28485 C C . ALA T 20 ? 0.6907 0.6787 0.6650 -0.0098 -0.0609 -0.0096 21 ALA b C +28486 O O . ALA T 20 ? 0.6352 0.6233 0.6113 -0.0118 -0.0580 -0.0090 21 ALA b O +28487 C CB . ALA T 20 ? 0.6047 0.5932 0.5776 -0.0034 -0.0643 -0.0093 21 ALA b CB +28488 N N . ALA T 21 ? 0.6291 0.6134 0.5986 -0.0099 -0.0620 -0.0092 22 ALA b N +28489 C CA . ALA T 21 ? 0.6507 0.6307 0.6169 -0.0123 -0.0597 -0.0080 22 ALA b CA +28490 C C . ALA T 21 ? 0.6630 0.6462 0.6338 -0.0158 -0.0583 -0.0094 22 ALA b C +28491 O O . ALA T 21 ? 0.6586 0.6399 0.6290 -0.0179 -0.0555 -0.0085 22 ALA b O +28492 C CB . ALA T 21 ? 0.6266 0.6024 0.5870 -0.0116 -0.0613 -0.0076 22 ALA b CB +28493 N N . HIS T 22 ? 0.6536 0.6416 0.6286 -0.0166 -0.0603 -0.0118 23 HIS b N +28494 C CA . HIS T 22 ? 0.6444 0.6355 0.6239 -0.0200 -0.0588 -0.0132 23 HIS b CA +28495 C C . HIS T 22 ? 0.5948 0.5888 0.5788 -0.0208 -0.0563 -0.0130 23 HIS b C +28496 O O . HIS T 22 ? 0.6602 0.6539 0.6456 -0.0237 -0.0537 -0.0130 23 HIS b O +28497 C CB . HIS T 22 ? 0.6303 0.6263 0.6137 -0.0207 -0.0615 -0.0159 23 HIS b CB +28498 C CG . HIS T 22 ? 0.7961 0.7891 0.7752 -0.0208 -0.0636 -0.0162 23 HIS b CG +28499 N ND1 . HIS T 22 ? 0.6516 0.6480 0.6330 -0.0212 -0.0664 -0.0186 23 HIS b ND1 +28500 C CD2 . HIS T 22 ? 0.6753 0.6621 0.6479 -0.0206 -0.0631 -0.0146 23 HIS b CD2 +28501 C CE1 . HIS T 22 ? 0.7538 0.7460 0.7301 -0.0213 -0.0677 -0.0184 23 HIS b CE1 +28502 N NE2 . HIS T 22 ? 0.6929 0.6792 0.6637 -0.0208 -0.0656 -0.0160 23 HIS b NE2 +28503 N N . LEU T 23 ? 0.6526 0.6490 0.6385 -0.0183 -0.0570 -0.0130 24 LEU b N +28504 C CA . LEU T 23 ? 0.6255 0.6241 0.6150 -0.0187 -0.0545 -0.0127 24 LEU b CA +28505 C C . LEU T 23 ? 0.6521 0.6453 0.6375 -0.0195 -0.0516 -0.0104 24 LEU b C +28506 O O . LEU T 23 ? 0.6291 0.6228 0.6166 -0.0218 -0.0490 -0.0102 24 LEU b O +28507 C CB . LEU T 23 ? 0.5628 0.5641 0.5542 -0.0154 -0.0560 -0.0129 24 LEU b CB +28508 C CG . LEU T 23 ? 0.7217 0.7302 0.7194 -0.0150 -0.0581 -0.0156 24 LEU b CG +28509 C CD1 . LEU T 23 ? 0.5886 0.5988 0.5869 -0.0110 -0.0601 -0.0156 24 LEU b CD1 +28510 C CD2 . LEU T 23 ? 0.6241 0.6375 0.6281 -0.0180 -0.0559 -0.0169 24 LEU b CD2 +28511 N N . MET T 24 ? 0.6074 0.5954 0.5870 -0.0177 -0.0520 -0.0085 25 MET b N +28512 C CA . MET T 24 ? 0.6603 0.6436 0.6363 -0.0183 -0.0494 -0.0064 25 MET b CA +28513 C C . MET T 24 ? 0.6107 0.5919 0.5855 -0.0214 -0.0477 -0.0063 25 MET b C +28514 O O . MET T 24 ? 0.6078 0.5875 0.5825 -0.0229 -0.0450 -0.0053 25 MET b O +28515 C CB . MET T 24 ? 0.7455 0.7239 0.7156 -0.0159 -0.0503 -0.0046 25 MET b CB +28516 C CG . MET T 24 ? 0.7428 0.7166 0.7095 -0.0163 -0.0477 -0.0024 25 MET b CG +28517 S SD . MET T 24 ? 0.7073 0.6828 0.6771 -0.0159 -0.0457 -0.0020 25 MET b SD +28518 C CE . MET T 24 ? 0.6760 0.6522 0.6453 -0.0122 -0.0480 -0.0020 25 MET b CE +28519 N N . HIS T 25 ? 0.7023 0.6830 0.6759 -0.0224 -0.0491 -0.0072 26 HIS b N +28520 C CA . HIS T 25 ? 0.5896 0.5684 0.5623 -0.0253 -0.0476 -0.0072 26 HIS b CA +28521 C C . HIS T 25 ? 0.6356 0.6181 0.6135 -0.0279 -0.0458 -0.0084 26 HIS b C +28522 O O . HIS T 25 ? 0.6617 0.6421 0.6389 -0.0299 -0.0433 -0.0077 26 HIS b O +28523 C CB . HIS T 25 ? 0.6121 0.5902 0.5831 -0.0259 -0.0497 -0.0083 26 HIS b CB +28524 C CG . HIS T 25 ? 0.6278 0.6031 0.5971 -0.0287 -0.0482 -0.0084 26 HIS b CG +28525 N ND1 . HIS T 25 ? 0.6434 0.6214 0.6165 -0.0316 -0.0476 -0.0100 26 HIS b ND1 +28526 C CD2 . HIS T 25 ? 0.6371 0.6072 0.6014 -0.0291 -0.0470 -0.0069 26 HIS b CD2 +28527 C CE1 . HIS T 25 ? 0.5643 0.5385 0.5344 -0.0335 -0.0463 -0.0096 26 HIS b CE1 +28528 N NE2 . HIS T 25 ? 0.6792 0.6486 0.6440 -0.0319 -0.0460 -0.0077 26 HIS b NE2 +28529 N N . THR T 26 ? 0.6403 0.6284 0.6235 -0.0277 -0.0469 -0.0102 27 THR b N +28530 C CA . THR T 26 ? 0.6043 0.5961 0.5926 -0.0302 -0.0451 -0.0114 27 THR b CA +28531 C C . THR T 26 ? 0.6341 0.6252 0.6228 -0.0301 -0.0423 -0.0101 27 THR b C +28532 O O . THR T 26 ? 0.6469 0.6375 0.6365 -0.0326 -0.0398 -0.0100 27 THR b O +28533 C CB . THR T 26 ? 0.6286 0.6271 0.6228 -0.0298 -0.0470 -0.0137 27 THR b CB +28534 O OG1 . THR T 26 ? 0.6686 0.6675 0.6619 -0.0295 -0.0499 -0.0149 27 THR b OG1 +28535 C CG2 . THR T 26 ? 0.5309 0.5335 0.5306 -0.0329 -0.0450 -0.0152 27 THR b CG2 +28536 N N . ALA T 27 ? 0.6240 0.6147 0.6117 -0.0272 -0.0428 -0.0091 28 ALA b N +28537 C CA . ALA T 27 ? 0.6266 0.6159 0.6138 -0.0269 -0.0404 -0.0077 28 ALA b CA +28538 C C . ALA T 27 ? 0.5601 0.5441 0.5429 -0.0283 -0.0384 -0.0060 28 ALA b C +28539 O O . ALA T 27 ? 0.5885 0.5720 0.5719 -0.0298 -0.0359 -0.0055 28 ALA b O +28540 C CB . ALA T 27 ? 0.6015 0.5901 0.5872 -0.0235 -0.0416 -0.0067 28 ALA b CB +28541 N N . LEU T 28 ? 0.6836 0.6636 0.6618 -0.0278 -0.0394 -0.0050 29 LEU b N +28542 C CA . LEU T 28 ? 0.6508 0.6259 0.6248 -0.0289 -0.0376 -0.0034 29 LEU b CA +28543 C C . LEU T 28 ? 0.6822 0.6572 0.6573 -0.0321 -0.0359 -0.0042 29 LEU b C +28544 O O . LEU T 28 ? 0.6666 0.6393 0.6404 -0.0332 -0.0336 -0.0032 29 LEU b O +28545 C CB . LEU T 28 ? 0.6251 0.5962 0.5941 -0.0277 -0.0390 -0.0025 29 LEU b CB +28546 C CG . LEU T 28 ? 0.6960 0.6656 0.6626 -0.0248 -0.0400 -0.0012 29 LEU b CG +28547 C CD1 . LEU T 28 ? 0.6636 0.6300 0.6257 -0.0236 -0.0416 -0.0007 29 LEU b CD1 +28548 C CD2 . LEU T 28 ? 0.6034 0.5706 0.5685 -0.0245 -0.0379 0.0005 29 LEU b CD2 +28549 N N . VAL T 29 ? 0.5903 0.5678 0.5678 -0.0335 -0.0371 -0.0059 30 VAL b N +28550 C CA . VAL T 29 ? 0.5551 0.5319 0.5330 -0.0366 -0.0356 -0.0066 30 VAL b CA +28551 C C . VAL T 29 ? 0.6163 0.5958 0.5980 -0.0381 -0.0333 -0.0070 30 VAL b C +28552 O O . VAL T 29 ? 0.6589 0.6360 0.6394 -0.0401 -0.0310 -0.0064 30 VAL b O +28553 C CB . VAL T 29 ? 0.6132 0.5918 0.5926 -0.0378 -0.0374 -0.0084 30 VAL b CB +28554 C CG1 . VAL T 29 ? 0.5334 0.5112 0.5135 -0.0413 -0.0357 -0.0092 30 VAL b CG1 +28555 C CG2 . VAL T 29 ? 0.6510 0.6262 0.6257 -0.0362 -0.0396 -0.0078 30 VAL b CG2 +28556 N N . ALA T 30 ? 0.6806 0.6651 0.6669 -0.0372 -0.0338 -0.0080 31 ALA b N +28557 C CA . ALA T 30 ? 0.5873 0.5745 0.5773 -0.0385 -0.0315 -0.0085 31 ALA b CA +28558 C C . ALA T 30 ? 0.6384 0.6224 0.6258 -0.0377 -0.0295 -0.0066 31 ALA b C +28559 O O . ALA T 30 ? 0.6542 0.6377 0.6421 -0.0395 -0.0269 -0.0065 31 ALA b O +28560 C CB . ALA T 30 ? 0.6125 0.6058 0.6080 -0.0372 -0.0328 -0.0101 31 ALA b CB +28561 N N . GLY T 31 ? 0.6220 0.6036 0.6062 -0.0351 -0.0305 -0.0052 32 GLY b N +28562 C CA . GLY T 31 ? 0.6213 0.5995 0.6026 -0.0344 -0.0287 -0.0035 32 GLY b CA +28563 C C . GLY T 31 ? 0.7247 0.6982 0.7020 -0.0361 -0.0272 -0.0023 32 GLY b C +28564 O O . GLY T 31 ? 0.6691 0.6406 0.6451 -0.0366 -0.0252 -0.0014 32 GLY b O +28565 N N . TRP T 32 ? 0.5671 0.5386 0.5422 -0.0368 -0.0283 -0.0025 33 TRP b N +28566 C CA . TRP T 32 ? 0.5365 0.5036 0.5080 -0.0384 -0.0268 -0.0016 33 TRP b CA +28567 C C . TRP T 32 ? 0.6488 0.6166 0.6223 -0.0411 -0.0247 -0.0024 33 TRP b C +28568 O O . TRP T 32 ? 0.6601 0.6248 0.6311 -0.0420 -0.0227 -0.0013 33 TRP b O +28569 C CB . TRP T 32 ? 0.5184 0.4832 0.4872 -0.0386 -0.0284 -0.0017 33 TRP b CB +28570 C CG . TRP T 32 ? 0.6431 0.6035 0.6083 -0.0402 -0.0269 -0.0010 33 TRP b CG +28571 C CD1 . TRP T 32 ? 0.6658 0.6219 0.6267 -0.0393 -0.0262 0.0006 33 TRP b CD1 +28572 C CD2 . TRP T 32 ? 0.5775 0.5373 0.5432 -0.0430 -0.0258 -0.0020 33 TRP b CD2 +28573 N NE1 . TRP T 32 ? 0.6141 0.5670 0.5727 -0.0411 -0.0249 0.0008 33 TRP b NE1 +28574 C CE2 . TRP T 32 ? 0.6935 0.6482 0.6547 -0.0434 -0.0246 -0.0007 33 TRP b CE2 +28575 C CE3 . TRP T 32 ? 0.6019 0.5647 0.5713 -0.0451 -0.0257 -0.0038 33 TRP b CE3 +28576 C CZ2 . TRP T 32 ? 0.6009 0.5532 0.5609 -0.0458 -0.0233 -0.0012 33 TRP b CZ2 +28577 C CZ3 . TRP T 32 ? 0.6638 0.6244 0.6322 -0.0478 -0.0244 -0.0042 33 TRP b CZ3 +28578 C CH2 . TRP T 32 ? 0.7231 0.6782 0.6866 -0.0481 -0.0231 -0.0029 33 TRP b CH2 +28579 N N . ALA T 33 ? 0.5939 0.5658 0.5716 -0.0426 -0.0250 -0.0042 34 ALA b N +28580 C CA . ALA T 33 ? 0.6082 0.5806 0.5876 -0.0454 -0.0228 -0.0050 34 ALA b CA +28581 C C . ALA T 33 ? 0.5913 0.5642 0.5716 -0.0454 -0.0206 -0.0043 34 ALA b C +28582 O O . ALA T 33 ? 0.6138 0.5841 0.5925 -0.0471 -0.0183 -0.0038 34 ALA b O +28583 C CB . ALA T 33 ? 0.5876 0.5650 0.5721 -0.0470 -0.0237 -0.0072 34 ALA b CB +28584 N N . GLY T 34 ? 0.6757 0.6516 0.6583 -0.0432 -0.0212 -0.0043 35 GLY b N +28585 C CA . GLY T 34 ? 0.6776 0.6536 0.6606 -0.0428 -0.0192 -0.0037 35 GLY b CA +28586 C C . GLY T 34 ? 0.6063 0.5771 0.5842 -0.0421 -0.0182 -0.0017 35 GLY b C +28587 O O . GLY T 34 ? 0.6487 0.6178 0.6255 -0.0432 -0.0160 -0.0012 35 GLY b O +28588 N N . SER T 35 ? 0.6525 0.6210 0.6275 -0.0402 -0.0199 -0.0007 36 SER b N +28589 C CA . SER T 35 ? 0.6998 0.6636 0.6702 -0.0395 -0.0192 0.0011 36 SER b CA +28590 C C . SER T 35 ? 0.6026 0.5629 0.5702 -0.0416 -0.0178 0.0015 36 SER b C +28591 O O . SER T 35 ? 0.6929 0.6504 0.6581 -0.0419 -0.0161 0.0025 36 SER b O +28592 C CB . SER T 35 ? 0.6010 0.5631 0.5689 -0.0375 -0.0212 0.0020 36 SER b CB +28593 O OG . SER T 35 ? 0.8747 0.8395 0.8446 -0.0355 -0.0226 0.0017 36 SER b OG +28594 N N . MET T 36 ? 0.6513 0.6112 0.6188 -0.0429 -0.0185 0.0007 37 MET b N +28595 C CA . MET T 36 ? 0.6205 0.5764 0.5848 -0.0447 -0.0173 0.0011 37 MET b CA +28596 C C . MET T 36 ? 0.5782 0.5342 0.5436 -0.0468 -0.0148 0.0007 37 MET b C +28597 O O . MET T 36 ? 0.6284 0.5804 0.5903 -0.0475 -0.0132 0.0016 37 MET b O +28598 C CB . MET T 36 ? 0.6866 0.6424 0.6509 -0.0459 -0.0185 0.0001 37 MET b CB +28599 C CG . MET T 36 ? 0.5711 0.5219 0.5313 -0.0473 -0.0175 0.0006 37 MET b CG +28600 S SD . MET T 36 ? 0.6501 0.5964 0.6051 -0.0450 -0.0184 0.0024 37 MET b SD +28601 C CE . MET T 36 ? 0.5640 0.5068 0.5160 -0.0452 -0.0160 0.0038 37 MET b CE +28602 N N . ALA T 37 ? 0.6460 0.6066 0.6161 -0.0477 -0.0143 -0.0007 38 ALA b N +28603 C CA . ALA T 37 ? 0.6834 0.6442 0.6545 -0.0498 -0.0118 -0.0011 38 ALA b CA +28604 C C . ALA T 37 ? 0.7101 0.6693 0.6794 -0.0487 -0.0102 0.0001 38 ALA b C +28605 O O . ALA T 37 ? 0.6625 0.6187 0.6294 -0.0500 -0.0081 0.0007 38 ALA b O +28606 C CB . ALA T 37 ? 0.6750 0.6417 0.6520 -0.0509 -0.0116 -0.0029 38 ALA b CB +28607 N N . LEU T 38 ? 0.5964 0.5572 0.5665 -0.0462 -0.0113 0.0006 39 LEU b N +28608 C CA . LEU T 38 ? 0.6503 0.6096 0.6186 -0.0451 -0.0101 0.0017 39 LEU b CA +28609 C C . LEU T 38 ? 0.5900 0.5439 0.5530 -0.0449 -0.0098 0.0032 39 LEU b C +28610 O O . LEU T 38 ? 0.6847 0.6361 0.6454 -0.0454 -0.0080 0.0039 39 LEU b O +28611 C CB . LEU T 38 ? 0.6394 0.6013 0.6095 -0.0426 -0.0115 0.0018 39 LEU b CB +28612 C CG . LEU T 38 ? 0.7535 0.7208 0.7288 -0.0423 -0.0117 0.0003 39 LEU b CG +28613 C CD1 . LEU T 38 ? 0.7152 0.6840 0.6913 -0.0396 -0.0131 0.0006 39 LEU b CD1 +28614 C CD2 . LEU T 38 ? 0.7272 0.6954 0.7038 -0.0439 -0.0090 -0.0002 39 LEU b CD2 +28615 N N . TYR T 39 ? 0.6357 0.5877 0.5965 -0.0441 -0.0115 0.0038 40 TYR b N +28616 C CA . TYR T 39 ? 0.6585 0.6056 0.6145 -0.0437 -0.0113 0.0051 40 TYR b CA +28617 C C . TYR T 39 ? 0.6548 0.5988 0.6086 -0.0458 -0.0095 0.0051 40 TYR b C +28618 O O . TYR T 39 ? 0.7074 0.6478 0.6576 -0.0457 -0.0084 0.0062 40 TYR b O +28619 C CB . TYR T 39 ? 0.6366 0.5828 0.5912 -0.0425 -0.0133 0.0055 40 TYR b CB +28620 C CG . TYR T 39 ? 0.6639 0.6055 0.6139 -0.0421 -0.0132 0.0068 40 TYR b CG +28621 C CD1 . TYR T 39 ? 0.6526 0.5928 0.6006 -0.0403 -0.0135 0.0080 40 TYR b CD1 +28622 C CD2 . TYR T 39 ? 0.6509 0.5895 0.5986 -0.0435 -0.0128 0.0067 40 TYR b CD2 +28623 C CE1 . TYR T 39 ? 0.7751 0.7116 0.7193 -0.0397 -0.0136 0.0090 40 TYR b CE1 +28624 C CE2 . TYR T 39 ? 0.6599 0.5944 0.6034 -0.0428 -0.0128 0.0077 40 TYR b CE2 +28625 C CZ . TYR T 39 ? 0.7233 0.6570 0.6652 -0.0409 -0.0132 0.0089 40 TYR b CZ +28626 O OH . TYR T 39 ? 0.8361 0.7662 0.7742 -0.0402 -0.0132 0.0099 40 TYR b OH +28627 N N . GLU T 40 ? 0.6666 0.6117 0.6221 -0.0479 -0.0092 0.0040 41 GLU b N +28628 C CA . GLU T 40 ? 0.6567 0.5984 0.6099 -0.0501 -0.0073 0.0040 41 GLU b CA +28629 C C . GLU T 40 ? 0.6694 0.6109 0.6226 -0.0510 -0.0049 0.0040 41 GLU b C +28630 O O . GLU T 40 ? 0.6844 0.6216 0.6338 -0.0517 -0.0034 0.0049 41 GLU b O +28631 C CB . GLU T 40 ? 0.6523 0.5952 0.6075 -0.0523 -0.0076 0.0026 41 GLU b CB +28632 C CG . GLU T 40 ? 0.6165 0.5583 0.5705 -0.0515 -0.0098 0.0025 41 GLU b CG +28633 C CD . GLU T 40 ? 0.7024 0.6446 0.6576 -0.0538 -0.0100 0.0012 41 GLU b CD +28634 O OE1 . GLU T 40 ? 0.6911 0.6349 0.6488 -0.0561 -0.0085 0.0001 41 GLU b OE1 +28635 O OE2 . GLU T 40 ? 0.6561 0.5968 0.6097 -0.0533 -0.0117 0.0011 41 GLU b OE2 +28636 N N . LEU T 41 ? 0.6484 0.5946 0.6060 -0.0510 -0.0046 0.0032 42 LEU b N +28637 C CA . LEU T 41 ? 0.6948 0.6410 0.6525 -0.0516 -0.0022 0.0032 42 LEU b CA +28638 C C . LEU T 41 ? 0.6902 0.6332 0.6440 -0.0498 -0.0020 0.0047 42 LEU b C +28639 O O . LEU T 41 ? 0.7375 0.6779 0.6888 -0.0506 0.0000 0.0051 42 LEU b O +28640 C CB . LEU T 41 ? 0.6450 0.5971 0.6082 -0.0513 -0.0022 0.0020 42 LEU b CB +28641 C CG . LEU T 41 ? 0.8659 0.8216 0.8333 -0.0536 -0.0018 0.0003 42 LEU b CG +28642 C CD1 . LEU T 41 ? 0.7197 0.6818 0.6930 -0.0528 -0.0024 -0.0010 42 LEU b CD1 +28643 C CD2 . LEU T 41 ? 0.7235 0.6770 0.6897 -0.0564 0.0011 0.0001 42 LEU b CD2 +28644 N N . ALA T 42 ? 0.6308 0.5738 0.5838 -0.0475 -0.0040 0.0054 43 ALA b N +28645 C CA . ALA T 42 ? 0.7103 0.6504 0.6598 -0.0458 -0.0040 0.0067 43 ALA b CA +28646 C C . ALA T 42 ? 0.6290 0.5637 0.5734 -0.0462 -0.0035 0.0078 43 ALA b C +28647 O O . ALA T 42 ? 0.7866 0.7187 0.7279 -0.0454 -0.0029 0.0087 43 ALA b O +28648 C CB . ALA T 42 ? 0.6529 0.5944 0.6031 -0.0435 -0.0062 0.0072 43 ALA b CB +28649 N N . THR T 43 ? 0.6277 0.5609 0.5711 -0.0472 -0.0039 0.0076 44 THR b N +28650 C CA . THR T 43 ? 0.6753 0.6033 0.6138 -0.0473 -0.0037 0.0086 44 THR b CA +28651 C C . THR T 43 ? 0.6896 0.6147 0.6263 -0.0497 -0.0017 0.0082 44 THR b C +28652 O O . THR T 43 ? 0.8235 0.7437 0.7555 -0.0497 -0.0012 0.0091 44 THR b O +28653 C CB . THR T 43 ? 0.7420 0.6694 0.6798 -0.0462 -0.0058 0.0088 44 THR b CB +28654 O OG1 . THR T 43 ? 0.8518 0.7808 0.7919 -0.0477 -0.0061 0.0077 44 THR b OG1 +28655 C CG2 . THR T 43 ? 0.7048 0.6352 0.6445 -0.0440 -0.0076 0.0091 44 THR b CG2 +28656 N N . PHE T 44 ? 0.7587 0.6866 0.6988 -0.0517 -0.0006 0.0070 45 PHE b N +28657 C CA . PHE T 44 ? 0.6924 0.6177 0.6311 -0.0544 0.0013 0.0066 45 PHE b CA +28658 C C . PHE T 44 ? 0.7088 0.6310 0.6444 -0.0550 0.0037 0.0072 45 PHE b C +28659 O O . PHE T 44 ? 0.6857 0.6104 0.6232 -0.0547 0.0046 0.0071 45 PHE b O +28660 C CB . PHE T 44 ? 0.6551 0.5850 0.5991 -0.0564 0.0017 0.0050 45 PHE b CB +28661 C CG . PHE T 44 ? 0.7255 0.6530 0.6685 -0.0595 0.0038 0.0044 45 PHE b CG +28662 C CD1 . PHE T 44 ? 0.6207 0.5435 0.5599 -0.0604 0.0035 0.0047 45 PHE b CD1 +28663 C CD2 . PHE T 44 ? 0.5911 0.5211 0.5370 -0.0615 0.0060 0.0035 45 PHE b CD2 +28664 C CE1 . PHE T 44 ? 0.7543 0.6745 0.6925 -0.0634 0.0055 0.0041 45 PHE b CE1 +28665 C CE2 . PHE T 44 ? 0.8394 0.7672 0.7845 -0.0646 0.0081 0.0029 45 PHE b CE2 +28666 C CZ . PHE T 44 ? 0.7814 0.7041 0.7225 -0.0656 0.0078 0.0032 45 PHE b CZ +28667 N N . ASP T 45 ? 0.7034 0.6200 0.6341 -0.0560 0.0048 0.0079 46 ASP b N +28668 C CA . ASP T 45 ? 0.7466 0.6595 0.6737 -0.0569 0.0072 0.0085 46 ASP b CA +28669 C C . ASP T 45 ? 0.8372 0.7496 0.7652 -0.0602 0.0096 0.0075 46 ASP b C +28670 O O . ASP T 45 ? 0.7197 0.6286 0.6455 -0.0617 0.0098 0.0075 46 ASP b O +28671 C CB . ASP T 45 ? 0.6383 0.5447 0.5588 -0.0556 0.0069 0.0099 46 ASP b CB +28672 C CG . ASP T 45 ? 0.7840 0.6858 0.6999 -0.0565 0.0094 0.0106 46 ASP b CG +28673 O OD1 . ASP T 45 ? 0.7285 0.6321 0.6463 -0.0579 0.0115 0.0100 46 ASP b OD1 +28674 O OD2 . ASP T 45 ? 0.9757 0.8719 0.8860 -0.0556 0.0093 0.0116 46 ASP b OD2 +28675 N N . PRO T 46 ? 0.8293 0.7450 0.7606 -0.0615 0.0115 0.0068 47 PRO b N +28676 C CA . PRO T 46 ? 0.6503 0.5661 0.5830 -0.0649 0.0140 0.0058 47 PRO b CA +28677 C C . PRO T 46 ? 0.7434 0.6529 0.6704 -0.0664 0.0168 0.0066 47 PRO b C +28678 O O . PRO T 46 ? 0.8321 0.7417 0.7602 -0.0693 0.0192 0.0058 47 PRO b O +28679 C CB . PRO T 46 ? 0.7506 0.6731 0.6894 -0.0653 0.0147 0.0045 47 PRO b CB +28680 C CG . PRO T 46 ? 0.7630 0.6857 0.7004 -0.0625 0.0142 0.0055 47 PRO b CG +28681 C CD . PRO T 46 ? 0.7358 0.6554 0.6697 -0.0600 0.0116 0.0067 47 PRO b CD +28682 N N . SER T 47 ? 0.7242 0.6284 0.6452 -0.0645 0.0165 0.0081 48 SER b N +28683 C CA . SER T 47 ? 0.7441 0.6431 0.6600 -0.0656 0.0193 0.0089 48 SER b CA +28684 C C . SER T 47 ? 0.8280 0.7208 0.7393 -0.0679 0.0207 0.0091 48 SER b C +28685 O O . SER T 47 ? 0.8520 0.7405 0.7594 -0.0694 0.0234 0.0096 48 SER b O +28686 C CB . SER T 47 ? 0.6009 0.4966 0.5119 -0.0627 0.0185 0.0103 48 SER b CB +28687 O OG . SER T 47 ? 0.8784 0.7702 0.7855 -0.0608 0.0164 0.0112 48 SER b OG +28688 N N . ASP T 48 ? 0.8395 0.7314 0.7510 -0.0682 0.0190 0.0088 49 ASP b N +28689 C CA . ASP T 48 ? 0.7902 0.6757 0.6971 -0.0704 0.0203 0.0091 49 ASP b CA +28690 C C . ASP T 48 ? 0.8415 0.7294 0.7522 -0.0722 0.0192 0.0078 49 ASP b C +28691 O O . ASP T 48 ? 0.7126 0.5992 0.6222 -0.0708 0.0169 0.0080 49 ASP b O +28692 C CB . ASP T 48 ? 0.6713 0.5498 0.5709 -0.0680 0.0192 0.0107 49 ASP b CB +28693 C CG . ASP T 48 ? 0.7366 0.6080 0.6309 -0.0700 0.0206 0.0110 49 ASP b CG +28694 O OD1 . ASP T 48 ? 0.7733 0.6448 0.6693 -0.0735 0.0227 0.0100 49 ASP b OD1 +28695 O OD2 . ASP T 48 ? 0.8427 0.7083 0.7312 -0.0681 0.0195 0.0121 49 ASP b OD2 +28696 N N . PRO T 49 ? 0.8252 0.7165 0.7405 -0.0755 0.0210 0.0063 50 PRO b N +28697 C CA . PRO T 49 ? 0.7254 0.6190 0.6443 -0.0774 0.0200 0.0049 50 PRO b CA +28698 C C . PRO T 49 ? 0.8417 0.7280 0.7552 -0.0791 0.0205 0.0052 50 PRO b C +28699 O O . PRO T 49 ? 0.8840 0.7714 0.7998 -0.0807 0.0195 0.0041 50 PRO b O +28700 C CB . PRO T 49 ? 0.7637 0.6630 0.6889 -0.0805 0.0220 0.0033 50 PRO b CB +28701 C CG . PRO T 49 ? 0.8129 0.7103 0.7357 -0.0809 0.0250 0.0041 50 PRO b CG +28702 C CD . PRO T 49 ? 0.7124 0.6070 0.6307 -0.0771 0.0237 0.0058 50 PRO b CD +28703 N N . VAL T 50 ? 0.7999 0.6786 0.7061 -0.0786 0.0219 0.0067 51 VAL b N +28704 C CA . VAL T 50 ? 0.8032 0.6742 0.7036 -0.0802 0.0227 0.0071 51 VAL b CA +28705 C C . VAL T 50 ? 0.8583 0.7259 0.7548 -0.0770 0.0198 0.0080 51 VAL b C +28706 O O . VAL T 50 ? 0.8292 0.6959 0.7260 -0.0776 0.0185 0.0074 51 VAL b O +28707 C CB . VAL T 50 ? 0.8733 0.7373 0.7673 -0.0815 0.0260 0.0082 51 VAL b CB +28708 C CG1 . VAL T 50 ? 0.7363 0.5916 0.6234 -0.0824 0.0264 0.0089 51 VAL b CG1 +28709 C CG2 . VAL T 50 ? 0.7940 0.6612 0.6919 -0.0852 0.0291 0.0071 51 VAL b CG2 +28710 N N . LEU T 51 ? 0.7516 0.6173 0.6445 -0.0736 0.0189 0.0095 52 LEU b N +28711 C CA . LEU T 51 ? 0.7647 0.6272 0.6539 -0.0705 0.0164 0.0104 52 LEU b CA +28712 C C . LEU T 51 ? 0.7996 0.6685 0.6934 -0.0675 0.0135 0.0103 52 LEU b C +28713 O O . LEU T 51 ? 0.7343 0.6015 0.6258 -0.0650 0.0113 0.0108 52 LEU b O +28714 C CB . LEU T 51 ? 0.7013 0.5566 0.5827 -0.0685 0.0171 0.0122 52 LEU b CB +28715 C CG . LEU T 51 ? 0.7293 0.5766 0.6048 -0.0710 0.0198 0.0125 52 LEU b CG +28716 C CD1 . LEU T 51 ? 0.7176 0.5576 0.5850 -0.0687 0.0201 0.0143 52 LEU b CD1 +28717 C CD2 . LEU T 51 ? 0.8175 0.6619 0.6922 -0.0728 0.0193 0.0117 52 LEU b CD2 +28718 N N . ASN T 52 ? 0.7017 0.5778 0.6016 -0.0677 0.0134 0.0095 53 ASN b N +28719 C CA . ASN T 52 ? 0.7022 0.5843 0.6066 -0.0652 0.0108 0.0093 53 ASN b CA +28720 C C . ASN T 52 ? 0.6974 0.5869 0.6093 -0.0669 0.0105 0.0077 53 ASN b C +28721 O O . ASN T 52 ? 0.6699 0.5649 0.5860 -0.0659 0.0101 0.0074 53 ASN b O +28722 C CB . ASN T 52 ? 0.5824 0.4654 0.4858 -0.0624 0.0104 0.0104 53 ASN b CB +28723 C CG . ASN T 52 ? 0.6548 0.5421 0.5610 -0.0595 0.0075 0.0105 53 ASN b CG +28724 O OD1 . ASN T 52 ? 0.7196 0.6074 0.6265 -0.0589 0.0057 0.0102 53 ASN b OD1 +28725 N ND2 . ASN T 52 ? 0.7102 0.6007 0.6180 -0.0577 0.0072 0.0110 53 ASN b ND2 +28726 N N . PRO T 53 ? 0.7879 0.6776 0.7015 -0.0694 0.0106 0.0065 54 PRO b N +28727 C CA . PRO T 53 ? 0.7476 0.6446 0.6685 -0.0708 0.0100 0.0048 54 PRO b CA +28728 C C . PRO T 53 ? 0.7802 0.6818 0.7043 -0.0681 0.0068 0.0046 54 PRO b C +28729 O O . PRO T 53 ? 0.6783 0.5774 0.5992 -0.0655 0.0052 0.0056 54 PRO b O +28730 C CB . PRO T 53 ? 0.7735 0.6683 0.6943 -0.0741 0.0106 0.0036 54 PRO b CB +28731 C CG . PRO T 53 ? 0.6576 0.5450 0.5717 -0.0730 0.0100 0.0047 54 PRO b CG +28732 C CD . PRO T 53 ? 0.7043 0.5877 0.6134 -0.0709 0.0109 0.0065 54 PRO b CD +28733 N N . MET T 54 ? 0.6544 0.5628 0.5851 -0.0689 0.0061 0.0032 55 MET b N +28734 C CA . MET T 54 ? 0.6156 0.5288 0.5497 -0.0665 0.0033 0.0029 55 MET b CA +28735 C C . MET T 54 ? 0.7148 0.6251 0.6461 -0.0652 0.0011 0.0032 55 MET b C +28736 O O . MET T 54 ? 0.6642 0.5757 0.5953 -0.0623 -0.0008 0.0039 55 MET b O +28737 C CB . MET T 54 ? 0.6706 0.5910 0.6118 -0.0678 0.0029 0.0012 55 MET b CB +28738 C CG . MET T 54 ? 0.7079 0.6284 0.6508 -0.0711 0.0032 -0.0004 55 MET b CG +28739 S SD . MET T 54 ? 0.7535 0.6832 0.7052 -0.0722 0.0023 -0.0026 55 MET b SD +28740 C CE . MET T 54 ? 0.7094 0.6418 0.6641 -0.0742 0.0056 -0.0030 55 MET b CE +28741 N N . TRP T 55 ? 0.6761 0.5825 0.6050 -0.0673 0.0015 0.0026 56 TRP b N +28742 C CA . TRP T 55 ? 0.7815 0.6857 0.7082 -0.0661 -0.0006 0.0026 56 TRP b CA +28743 C C . TRP T 55 ? 0.6888 0.5874 0.6094 -0.0635 -0.0009 0.0043 56 TRP b C +28744 O O . TRP T 55 ? 0.6926 0.5898 0.6114 -0.0618 -0.0028 0.0046 56 TRP b O +28745 C CB . TRP T 55 ? 0.6381 0.5401 0.5645 -0.0691 -0.0004 0.0013 56 TRP b CB +28746 C CG . TRP T 55 ? 0.7348 0.6314 0.6577 -0.0718 0.0024 0.0014 56 TRP b CG +28747 C CD1 . TRP T 55 ? 0.6607 0.5592 0.5865 -0.0750 0.0046 0.0005 56 TRP b CD1 +28748 C CD2 . TRP T 55 ? 0.6649 0.5535 0.5807 -0.0716 0.0033 0.0026 56 TRP b CD2 +28749 N NE1 . TRP T 55 ? 0.6714 0.5631 0.5921 -0.0769 0.0069 0.0011 56 TRP b NE1 +28750 C CE2 . TRP T 55 ? 0.6414 0.5268 0.5558 -0.0748 0.0061 0.0024 56 TRP b CE2 +28751 C CE3 . TRP T 55 ? 0.6452 0.5288 0.5557 -0.0690 0.0021 0.0038 56 TRP b CE3 +28752 C CZ2 . TRP T 55 ? 0.6578 0.5350 0.5654 -0.0754 0.0077 0.0033 56 TRP b CZ2 +28753 C CZ3 . TRP T 55 ? 0.6405 0.5164 0.5446 -0.0695 0.0035 0.0046 56 TRP b CZ3 +28754 C CH2 . TRP T 55 ? 0.6956 0.5680 0.5980 -0.0726 0.0062 0.0045 56 TRP b CH2 +28755 N N . ARG T 56 ? 0.6532 0.5486 0.5707 -0.0631 0.0008 0.0055 57 ARG b N +28756 C CA . ARG T 56 ? 0.7327 0.6237 0.6450 -0.0604 0.0004 0.0071 57 ARG b CA +28757 C C . ARG T 56 ? 0.7350 0.6303 0.6496 -0.0574 -0.0011 0.0078 57 ARG b C +28758 O O . ARG T 56 ? 0.6501 0.5431 0.5615 -0.0548 -0.0021 0.0089 57 ARG b O +28759 C CB . ARG T 56 ? 0.6656 0.5514 0.5733 -0.0611 0.0027 0.0081 57 ARG b CB +28760 C CG . ARG T 56 ? 0.7015 0.5812 0.6052 -0.0638 0.0043 0.0078 57 ARG b CG +28761 C CD . ARG T 56 ? 0.6142 0.4878 0.5123 -0.0621 0.0033 0.0085 57 ARG b CD +28762 N NE . ARG T 56 ? 0.7264 0.5973 0.6205 -0.0590 0.0030 0.0101 57 ARG b NE +28763 C CZ . ARG T 56 ? 0.7878 0.6545 0.6774 -0.0567 0.0018 0.0109 57 ARG b CZ +28764 N NH1 . ARG T 56 ? 0.7132 0.5768 0.6008 -0.0572 0.0012 0.0104 57 ARG b NH1 +28765 N NH2 . ARG T 56 ? 0.7067 0.5725 0.5939 -0.0538 0.0012 0.0122 57 ARG b NH2 +28766 N N . GLN T 57 ? 0.6178 0.5192 0.5378 -0.0578 -0.0013 0.0071 58 GLN b N +28767 C CA . GLN T 57 ? 0.6254 0.5305 0.5474 -0.0554 -0.0022 0.0077 58 GLN b CA +28768 C C . GLN T 57 ? 0.6713 0.5810 0.5970 -0.0539 -0.0045 0.0072 58 GLN b C +28769 O O . GLN T 57 ? 0.6698 0.5832 0.5979 -0.0522 -0.0053 0.0075 58 GLN b O +28770 C CB . GLN T 57 ? 0.6422 0.5505 0.5673 -0.0566 -0.0005 0.0074 58 GLN b CB +28771 C CG . GLN T 57 ? 0.6613 0.5649 0.5823 -0.0576 0.0020 0.0081 58 GLN b CG +28772 C CD . GLN T 57 ? 0.7462 0.6530 0.6699 -0.0583 0.0036 0.0079 58 GLN b CD +28773 O OE1 . GLN T 57 ? 0.6990 0.6098 0.6256 -0.0566 0.0027 0.0080 58 GLN b OE1 +28774 N NE2 . GLN T 57 ? 0.7112 0.6161 0.6341 -0.0609 0.0061 0.0076 58 GLN b NE2 +28775 N N . GLY T 58 ? 0.7409 0.6502 0.6668 -0.0546 -0.0056 0.0064 59 GLY b N +28776 C CA . GLY T 58 ? 0.6561 0.5692 0.5848 -0.0533 -0.0078 0.0059 59 GLY b CA +28777 C C . GLY T 58 ? 0.6795 0.5987 0.6141 -0.0542 -0.0082 0.0047 59 GLY b C +28778 O O . GLY T 58 ? 0.7104 0.6332 0.6474 -0.0526 -0.0100 0.0045 59 GLY b O +28779 N N . MET T 59 ? 0.6871 0.6076 0.6239 -0.0567 -0.0066 0.0038 60 MET b N +28780 C CA . MET T 59 ? 0.6074 0.5340 0.5501 -0.0576 -0.0069 0.0024 60 MET b CA +28781 C C . MET T 59 ? 0.6807 0.6092 0.6256 -0.0587 -0.0085 0.0010 60 MET b C +28782 O O . MET T 59 ? 0.6727 0.5978 0.6155 -0.0606 -0.0081 0.0005 60 MET b O +28783 C CB . MET T 59 ? 0.6097 0.5371 0.5540 -0.0599 -0.0044 0.0020 60 MET b CB +28784 C CG . MET T 59 ? 0.6635 0.5888 0.6053 -0.0588 -0.0028 0.0034 60 MET b CG +28785 S SD . MET T 59 ? 0.7004 0.6305 0.6452 -0.0558 -0.0041 0.0038 60 MET b SD +28786 C CE . MET T 59 ? 0.6597 0.5849 0.5989 -0.0534 -0.0040 0.0058 60 MET b CE +28787 N N . PHE T 60 ? 0.6376 0.5710 0.5864 -0.0575 -0.0104 0.0003 61 PHE b N +28788 C CA . PHE T 60 ? 0.6348 0.5704 0.5857 -0.0580 -0.0123 -0.0011 61 PHE b CA +28789 C C . PHE T 60 ? 0.6718 0.6137 0.6289 -0.0592 -0.0126 -0.0028 61 PHE b C +28790 O O . PHE T 60 ? 0.7135 0.6567 0.6726 -0.0612 -0.0132 -0.0043 61 PHE b O +28791 C CB . PHE T 60 ? 0.6822 0.6178 0.6316 -0.0550 -0.0146 -0.0004 61 PHE b CB +28792 C CG . PHE T 60 ? 0.7251 0.6622 0.6757 -0.0552 -0.0168 -0.0016 61 PHE b CG +28793 C CD1 . PHE T 60 ? 0.6660 0.6001 0.6147 -0.0572 -0.0169 -0.0025 61 PHE b CD1 +28794 C CD2 . PHE T 60 ? 0.7381 0.6792 0.6912 -0.0532 -0.0189 -0.0019 61 PHE b CD2 +28795 C CE1 . PHE T 60 ? 0.7860 0.7214 0.7356 -0.0573 -0.0190 -0.0037 61 PHE b CE1 +28796 C CE2 . PHE T 60 ? 0.6603 0.6027 0.6142 -0.0532 -0.0211 -0.0031 61 PHE b CE2 +28797 C CZ . PHE T 60 ? 0.7707 0.7103 0.7229 -0.0552 -0.0211 -0.0040 61 PHE b CZ +28798 N N . VAL T 61 ? 0.6489 0.5949 0.6092 -0.0580 -0.0124 -0.0026 62 VAL b N +28799 C CA . VAL T 61 ? 0.6274 0.5797 0.5938 -0.0590 -0.0127 -0.0043 62 VAL b CA +28800 C C . VAL T 61 ? 0.6453 0.5985 0.6137 -0.0614 -0.0099 -0.0048 62 VAL b C +28801 O O . VAL T 61 ? 0.7460 0.7035 0.7192 -0.0634 -0.0097 -0.0065 62 VAL b O +28802 C CB . VAL T 61 ? 0.6436 0.6003 0.6129 -0.0562 -0.0143 -0.0042 62 VAL b CB +28803 C CG1 . VAL T 61 ? 0.6159 0.5727 0.5843 -0.0543 -0.0172 -0.0042 62 VAL b CG1 +28804 C CG2 . VAL T 61 ? 0.6588 0.6140 0.6262 -0.0543 -0.0131 -0.0025 62 VAL b CG2 +28805 N N . LEU T 62 ? 0.6248 0.5743 0.5899 -0.0614 -0.0078 -0.0034 63 LEU b N +28806 C CA . LEU T 62 ? 0.7056 0.6550 0.6716 -0.0639 -0.0049 -0.0038 63 LEU b CA +28807 C C . LEU T 62 ? 0.8146 0.7637 0.7818 -0.0674 -0.0040 -0.0052 63 LEU b C +28808 O O . LEU T 62 ? 0.6763 0.6297 0.6482 -0.0694 -0.0028 -0.0066 63 LEU b O +28809 C CB . LEU T 62 ? 0.7016 0.6454 0.6622 -0.0634 -0.0030 -0.0020 63 LEU b CB +28810 C CG . LEU T 62 ? 0.8004 0.7453 0.7619 -0.0634 -0.0006 -0.0016 63 LEU b CG +28811 C CD1 . LEU T 62 ? 0.7694 0.7191 0.7342 -0.0608 -0.0019 -0.0016 63 LEU b CD1 +28812 C CD2 . LEU T 62 ? 0.8479 0.7865 0.8032 -0.0629 0.0009 0.0002 63 LEU b CD2 +28813 N N . PRO T 63 ? 0.6551 0.5994 0.6185 -0.0683 -0.0046 -0.0051 64 PRO b N +28814 C CA . PRO T 63 ? 0.8004 0.7443 0.7649 -0.0719 -0.0038 -0.0066 64 PRO b CA +28815 C C . PRO T 63 ? 0.6473 0.5979 0.6182 -0.0729 -0.0054 -0.0088 64 PRO b C +28816 O O . PRO T 63 ? 0.7160 0.6683 0.6898 -0.0762 -0.0042 -0.0103 64 PRO b O +28817 C CB . PRO T 63 ? 0.6474 0.5849 0.6062 -0.0718 -0.0048 -0.0059 64 PRO b CB +28818 C CG . PRO T 63 ? 0.7246 0.6618 0.6814 -0.0680 -0.0070 -0.0047 64 PRO b CG +28819 C CD . PRO T 63 ? 0.6591 0.5981 0.6168 -0.0663 -0.0059 -0.0036 64 PRO b CD +28820 N N . PHE T 64 ? 0.6585 0.6131 0.6318 -0.0702 -0.0082 -0.0090 65 PHE b N +28821 C CA . PHE T 64 ? 0.6510 0.6121 0.6304 -0.0708 -0.0100 -0.0111 65 PHE b CA +28822 C C . PHE T 64 ? 0.7185 0.6859 0.7038 -0.0713 -0.0087 -0.0120 65 PHE b C +28823 O O . PHE T 64 ? 0.6917 0.6645 0.6826 -0.0730 -0.0091 -0.0141 65 PHE b O +28824 C CB . PHE T 64 ? 0.6382 0.6007 0.6174 -0.0677 -0.0134 -0.0110 65 PHE b CB +28825 C CG . PHE T 64 ? 0.6911 0.6489 0.6659 -0.0678 -0.0149 -0.0108 65 PHE b CG +28826 C CD1 . PHE T 64 ? 0.6722 0.6312 0.6488 -0.0698 -0.0163 -0.0127 65 PHE b CD1 +28827 C CD2 . PHE T 64 ? 0.5992 0.5511 0.5679 -0.0659 -0.0149 -0.0088 65 PHE b CD2 +28828 C CE1 . PHE T 64 ? 0.6505 0.6048 0.6227 -0.0699 -0.0176 -0.0126 65 PHE b CE1 +28829 C CE2 . PHE T 64 ? 0.6657 0.6130 0.6301 -0.0659 -0.0161 -0.0087 65 PHE b CE2 +28830 C CZ . PHE T 64 ? 0.7145 0.6629 0.6805 -0.0679 -0.0174 -0.0106 65 PHE b CZ +28831 N N . MET T 65 ? 0.6738 0.6409 0.6583 -0.0697 -0.0072 -0.0107 66 MET b N +28832 C CA . MET T 65 ? 0.6507 0.6232 0.6404 -0.0704 -0.0055 -0.0116 66 MET b CA +28833 C C . MET T 65 ? 0.7459 0.7174 0.7362 -0.0743 -0.0023 -0.0123 66 MET b C +28834 O O . MET T 65 ? 0.6933 0.6703 0.6894 -0.0763 -0.0014 -0.0141 66 MET b O +28835 C CB . MET T 65 ? 0.6386 0.6108 0.6269 -0.0675 -0.0048 -0.0100 66 MET b CB +28836 C CG . MET T 65 ? 0.6178 0.5933 0.6077 -0.0639 -0.0077 -0.0099 66 MET b CG +28837 S SD . MET T 65 ? 0.7065 0.6809 0.6942 -0.0606 -0.0071 -0.0080 66 MET b SD +28838 C CE . MET T 65 ? 0.6489 0.6150 0.6286 -0.0598 -0.0071 -0.0058 66 MET b CE +28839 N N . ALA T 66 ? 0.6095 0.5737 0.5937 -0.0755 -0.0005 -0.0109 67 ALA b N +28840 C CA . ALA T 66 ? 0.5964 0.5583 0.5800 -0.0792 0.0027 -0.0113 67 ALA b CA +28841 C C . ALA T 66 ? 0.6876 0.6513 0.6743 -0.0826 0.0023 -0.0133 67 ALA b C +28842 O O . ALA T 66 ? 0.6547 0.6205 0.6446 -0.0858 0.0047 -0.0146 67 ALA b O +28843 C CB . ALA T 66 ? 0.5899 0.5432 0.5656 -0.0792 0.0042 -0.0093 67 ALA b CB +28844 N N . ARG T 67 ? 0.7174 0.6801 0.7030 -0.0820 -0.0006 -0.0137 68 ARG b N +28845 C CA . ARG T 67 ? 0.7296 0.6935 0.7176 -0.0851 -0.0012 -0.0157 68 ARG b CA +28846 C C . ARG T 67 ? 0.6774 0.6500 0.6739 -0.0868 -0.0011 -0.0180 68 ARG b C +28847 O O . ARG T 67 ? 0.6521 0.6260 0.6514 -0.0906 0.0003 -0.0196 68 ARG b O +28848 C CB . ARG T 67 ? 0.6802 0.6427 0.6663 -0.0834 -0.0048 -0.0159 68 ARG b CB +28849 C CG . ARG T 67 ? 0.7625 0.7252 0.7501 -0.0867 -0.0057 -0.0179 68 ARG b CG +28850 C CD . ARG T 67 ? 0.6638 0.6230 0.6475 -0.0850 -0.0088 -0.0177 68 ARG b CD +28851 N NE . ARG T 67 ? 0.7013 0.6655 0.6879 -0.0817 -0.0121 -0.0181 68 ARG b NE +28852 C CZ . ARG T 67 ? 0.6992 0.6618 0.6834 -0.0801 -0.0150 -0.0182 68 ARG b CZ +28853 N NH1 . ARG T 67 ? 0.6143 0.5705 0.5932 -0.0812 -0.0151 -0.0179 68 ARG b NH1 +28854 N NH2 . ARG T 67 ? 0.6428 0.6102 0.6298 -0.0773 -0.0179 -0.0187 68 ARG b NH2 +28855 N N . LEU T 68 ? 0.6734 0.6520 0.6740 -0.0839 -0.0025 -0.0182 69 LEU b N +28856 C CA . LEU T 68 ? 0.7144 0.7017 0.7232 -0.0848 -0.0029 -0.0205 69 LEU b CA +28857 C C . LEU T 68 ? 0.7014 0.6924 0.7137 -0.0852 0.0001 -0.0205 69 LEU b C +28858 O O . LEU T 68 ? 0.7660 0.7648 0.7853 -0.0852 -0.0003 -0.0223 69 LEU b O +28859 C CB . LEU T 68 ? 0.6849 0.6770 0.6966 -0.0814 -0.0068 -0.0211 69 LEU b CB +28860 C CG . LEU T 68 ? 0.6933 0.6838 0.7033 -0.0813 -0.0101 -0.0218 69 LEU b CG +28861 C CD1 . LEU T 68 ? 0.6164 0.6111 0.6285 -0.0774 -0.0137 -0.0221 69 LEU b CD1 +28862 C CD2 . LEU T 68 ? 0.6046 0.5977 0.6186 -0.0853 -0.0100 -0.0242 69 LEU b CD2 +28863 N N . GLY T 69 ? 0.6746 0.6602 0.6821 -0.0855 0.0031 -0.0187 70 GLY b N +28864 C CA . GLY T 69 ? 0.7021 0.6906 0.7125 -0.0865 0.0065 -0.0189 70 GLY b CA +28865 C C . GLY T 69 ? 0.6904 0.6774 0.6981 -0.0832 0.0073 -0.0170 70 GLY b C +28866 O O . GLY T 69 ? 0.7632 0.7512 0.7719 -0.0842 0.0104 -0.0169 70 GLY b O +28867 N N . VAL T 70 ? 0.7269 0.7117 0.7312 -0.0795 0.0047 -0.0156 71 VAL b N +28868 C CA . VAL T 70 ? 0.7050 0.6883 0.7067 -0.0765 0.0055 -0.0139 71 VAL b CA +28869 C C . VAL T 70 ? 0.6788 0.6535 0.6727 -0.0770 0.0073 -0.0118 71 VAL b C +28870 O O . VAL T 70 ? 0.7563 0.7259 0.7453 -0.0761 0.0056 -0.0107 71 VAL b O +28871 C CB . VAL T 70 ? 0.7063 0.6914 0.7081 -0.0724 0.0020 -0.0133 71 VAL b CB +28872 C CG1 . VAL T 70 ? 0.6930 0.6761 0.6919 -0.0696 0.0028 -0.0116 71 VAL b CG1 +28873 C CG2 . VAL T 70 ? 0.7726 0.7661 0.7820 -0.0717 0.0001 -0.0154 71 VAL b CG2 +28874 N N . THR T 71 ? 0.6410 0.6141 0.6337 -0.0784 0.0108 -0.0113 72 THR b N +28875 C CA . THR T 71 ? 0.6688 0.6338 0.6542 -0.0791 0.0128 -0.0095 72 THR b CA +28876 C C . THR T 71 ? 0.8049 0.7678 0.7872 -0.0771 0.0145 -0.0080 72 THR b C +28877 O O . THR T 71 ? 0.7385 0.6946 0.7144 -0.0775 0.0161 -0.0064 72 THR b O +28878 C CB . THR T 71 ? 0.8186 0.7816 0.8037 -0.0835 0.0159 -0.0102 72 THR b CB +28879 O OG1 . THR T 71 ? 0.7966 0.7649 0.7869 -0.0850 0.0184 -0.0114 72 THR b OG1 +28880 C CG2 . THR T 71 ? 0.8138 0.7778 0.8012 -0.0859 0.0143 -0.0117 72 THR b CG2 +28881 N N . GLY T 72 ? 0.6956 0.6639 0.6819 -0.0751 0.0142 -0.0084 73 GLY b N +28882 C CA . GLY T 72 ? 0.7451 0.7118 0.7290 -0.0737 0.0162 -0.0073 73 GLY b CA +28883 C C . GLY T 72 ? 0.6912 0.6591 0.6748 -0.0696 0.0138 -0.0064 73 GLY b C +28884 O O . GLY T 72 ? 0.7349 0.7069 0.7220 -0.0679 0.0110 -0.0071 73 GLY b O +28885 N N . SER T 73 ? 0.8272 0.7915 0.8066 -0.0682 0.0151 -0.0050 74 SER b N +28886 C CA . SER T 73 ? 0.7035 0.6685 0.6822 -0.0646 0.0134 -0.0042 74 SER b CA +28887 C C . SER T 73 ? 0.6569 0.6258 0.6387 -0.0639 0.0153 -0.0048 74 SER b C +28888 O O . SER T 73 ? 0.7356 0.7039 0.7171 -0.0660 0.0185 -0.0051 74 SER b O +28889 C CB . SER T 73 ? 0.6509 0.6088 0.6223 -0.0631 0.0131 -0.0021 74 SER b CB +28890 O OG . SER T 73 ? 0.6656 0.6238 0.6361 -0.0600 0.0119 -0.0013 74 SER b OG +28891 N N . TRP T 74 ? 0.7091 0.6817 0.6935 -0.0610 0.0134 -0.0050 75 TRP b N +28892 C CA . TRP T 74 ? 0.7619 0.7370 0.7479 -0.0598 0.0151 -0.0053 75 TRP b CA +28893 C C . TRP T 74 ? 0.6608 0.6299 0.6406 -0.0596 0.0171 -0.0038 75 TRP b C +28894 O O . TRP T 74 ? 0.7279 0.6981 0.7083 -0.0596 0.0195 -0.0041 75 TRP b O +28895 C CB . TRP T 74 ? 0.7105 0.6890 0.6990 -0.0564 0.0125 -0.0055 75 TRP b CB +28896 C CG . TRP T 74 ? 0.6440 0.6292 0.6392 -0.0561 0.0108 -0.0072 75 TRP b CG +28897 C CD1 . TRP T 74 ? 0.6522 0.6420 0.6524 -0.0585 0.0119 -0.0089 75 TRP b CD1 +28898 C CD2 . TRP T 74 ? 0.7000 0.6880 0.6973 -0.0532 0.0076 -0.0074 75 TRP b CD2 +28899 N NE1 . TRP T 74 ? 0.7084 0.7041 0.7141 -0.0571 0.0094 -0.0102 75 TRP b NE1 +28900 C CE2 . TRP T 74 ? 0.7109 0.7053 0.7146 -0.0538 0.0068 -0.0092 75 TRP b CE2 +28901 C CE3 . TRP T 74 ? 0.6327 0.6183 0.6270 -0.0502 0.0055 -0.0061 75 TRP b CE3 +28902 C CZ2 . TRP T 74 ? 0.6528 0.6511 0.6598 -0.0513 0.0037 -0.0099 75 TRP b CZ2 +28903 C CZ3 . TRP T 74 ? 0.7025 0.6917 0.7000 -0.0479 0.0026 -0.0067 75 TRP b CZ3 +28904 C CH2 . TRP T 74 ? 0.6963 0.6917 0.6999 -0.0483 0.0017 -0.0085 75 TRP b CH2 +28905 N N . SER T 75 ? 0.4956 0.4586 0.4695 -0.0593 0.0163 -0.0022 76 SER b N +28906 C CA A SER T 75 ? 0.6421 0.5992 0.6097 -0.0590 0.0179 -0.0008 76 SER b CA +28907 C CA B SER T 75 ? 0.6418 0.5991 0.6095 -0.0589 0.0180 -0.0008 76 SER b CA +28908 C C . SER T 75 ? 0.5058 0.4598 0.4709 -0.0620 0.0214 -0.0007 76 SER b C +28909 O O . SER T 75 ? 0.5068 0.4557 0.4664 -0.0618 0.0229 0.0004 76 SER b O +28910 C CB A SER T 75 ? 0.6621 0.6139 0.6244 -0.0575 0.0156 0.0008 76 SER b CB +28911 C CB B SER T 75 ? 0.6675 0.6198 0.6301 -0.0571 0.0156 0.0008 76 SER b CB +28912 O OG A SER T 75 ? 0.8928 0.8393 0.8493 -0.0569 0.0169 0.0021 76 SER b OG +28913 O OG B SER T 75 ? 0.6242 0.5730 0.5842 -0.0587 0.0151 0.0012 76 SER b OG +28914 N N . GLY T 76 ? 0.6631 0.6199 0.6320 -0.0648 0.0225 -0.0020 77 GLY b N +28915 C CA . GLY T 76 ? 0.6840 0.6387 0.6515 -0.0679 0.0261 -0.0022 77 GLY b CA +28916 C C . GLY T 76 ? 0.9003 0.8498 0.8639 -0.0703 0.0266 -0.0016 77 GLY b C +28917 O O . GLY T 76 ? 0.8106 0.7580 0.7729 -0.0732 0.0298 -0.0018 77 GLY b O +28918 N N . TRP T 77 ? 0.7054 0.6522 0.6668 -0.0694 0.0238 -0.0009 78 TRP b N +28919 C CA . TRP T 77 ? 0.7041 0.6458 0.6617 -0.0716 0.0241 -0.0004 78 TRP b CA +28920 C C . TRP T 77 ? 0.6811 0.6268 0.6438 -0.0734 0.0228 -0.0019 78 TRP b C +28921 O O . TRP T 77 ? 0.6823 0.6343 0.6509 -0.0724 0.0209 -0.0031 78 TRP b O +28922 C CB . TRP T 77 ? 0.7682 0.7038 0.7195 -0.0694 0.0219 0.0013 78 TRP b CB +28923 C CG . TRP T 77 ? 0.8703 0.8085 0.8234 -0.0663 0.0183 0.0015 78 TRP b CG +28924 C CD1 . TRP T 77 ? 0.7362 0.6749 0.6884 -0.0633 0.0170 0.0023 78 TRP b CD1 +28925 C CD2 . TRP T 77 ? 0.6370 0.5772 0.5926 -0.0661 0.0155 0.0010 78 TRP b CD2 +28926 N NE1 . TRP T 77 ? 0.7627 0.7036 0.7168 -0.0613 0.0137 0.0023 78 TRP b NE1 +28927 C CE2 . TRP T 77 ? 0.8096 0.7515 0.7657 -0.0628 0.0128 0.0015 78 TRP b CE2 +28928 C CE3 . TRP T 77 ? 0.7387 0.6794 0.6960 -0.0683 0.0151 0.0000 78 TRP b CE3 +28929 C CZ2 . TRP T 77 ? 0.6682 0.6120 0.6262 -0.0617 0.0098 0.0012 78 TRP b CZ2 +28930 C CZ3 . TRP T 77 ? 0.6737 0.6164 0.6330 -0.0672 0.0120 -0.0003 78 TRP b CZ3 +28931 C CH2 . TRP T 77 ? 0.7594 0.7036 0.7189 -0.0639 0.0094 0.0003 78 TRP b CH2 +28932 N N . SER T 78 ? 0.8008 0.7423 0.7609 -0.0761 0.0238 -0.0019 79 SER b N +28933 C CA . SER T 78 ? 0.7945 0.7386 0.7583 -0.0780 0.0224 -0.0032 79 SER b CA +28934 C C . SER T 78 ? 0.7274 0.6647 0.6854 -0.0781 0.0211 -0.0022 79 SER b C +28935 O O . SER T 78 ? 0.7743 0.7048 0.7256 -0.0777 0.0222 -0.0006 79 SER b O +28936 C CB . SER T 78 ? 0.7915 0.7387 0.7596 -0.0819 0.0251 -0.0049 79 SER b CB +28937 O OG . SER T 78 ? 0.8989 0.8392 0.8617 -0.0847 0.0275 -0.0042 79 SER b OG +28938 N N . ILE T 79 ? 0.7884 0.7275 0.7489 -0.0787 0.0188 -0.0031 80 ILE b N +28939 C CA . ILE T 79 ? 0.7593 0.6920 0.7144 -0.0787 0.0176 -0.0022 80 ILE b CA +28940 C C . ILE T 79 ? 0.8414 0.7688 0.7930 -0.0823 0.0203 -0.0022 80 ILE b C +28941 O O . ILE T 79 ? 0.8159 0.7366 0.7616 -0.0822 0.0198 -0.0012 80 ILE b O +28942 C CB . ILE T 79 ? 0.9501 0.8858 0.9082 -0.0781 0.0142 -0.0031 80 ILE b CB +28943 C CG1 . ILE T 79 ? 0.9587 0.8996 0.9230 -0.0812 0.0147 -0.0053 80 ILE b CG1 +28944 C CG2 . ILE T 79 ? 0.7883 0.7278 0.7484 -0.0743 0.0114 -0.0028 80 ILE b CG2 +28945 C CD1 . ILE T 79 ? 0.9609 0.9023 0.9262 -0.0816 0.0120 -0.0062 80 ILE b CD1 +28946 N N . THR T 80 ? 0.7190 0.6487 0.6736 -0.0854 0.0232 -0.0033 81 THR b N +28947 C CA . THR T 80 ? 0.8738 0.7977 0.8245 -0.0889 0.0262 -0.0031 81 THR b CA +28948 C C . THR T 80 ? 0.8695 0.7878 0.8143 -0.0887 0.0290 -0.0015 81 THR b C +28949 O O . THR T 80 ? 0.9496 0.8627 0.8906 -0.0915 0.0319 -0.0013 81 THR b O +28950 C CB . THR T 80 ? 0.8057 0.7346 0.7626 -0.0929 0.0281 -0.0052 81 THR b CB +28951 O OG1 . THR T 80 ? 0.8518 0.7854 0.8124 -0.0931 0.0304 -0.0057 81 THR b OG1 +28952 C CG2 . THR T 80 ? 0.8870 0.8226 0.8506 -0.0929 0.0250 -0.0070 81 THR b CG2 +28953 N N . GLY T 81 ? 0.9272 0.8462 0.8708 -0.0853 0.0284 -0.0005 82 GLY b N +28954 C CA . GLY T 81 ? 0.8544 0.7677 0.7917 -0.0846 0.0306 0.0012 82 GLY b CA +28955 C C . GLY T 81 ? 0.9650 0.8818 0.9048 -0.0852 0.0334 0.0008 82 GLY b C +28956 O O . GLY T 81 ? 0.8967 0.8091 0.8312 -0.0841 0.0350 0.0021 82 GLY b O +28957 N N . GLU T 82 ? 0.9209 0.8454 0.8684 -0.0867 0.0340 -0.0011 83 GLU b N +28958 C CA . GLU T 82 ? 0.9978 0.9259 0.9480 -0.0872 0.0369 -0.0016 83 GLU b CA +28959 C C . GLU T 82 ? 1.0621 0.9927 1.0127 -0.0832 0.0353 -0.0009 83 GLU b C +28960 O O . GLU T 82 ? 0.9174 0.8504 0.8698 -0.0805 0.0318 -0.0009 83 GLU b O +28961 C CB . GLU T 82 ? 0.9048 0.8409 0.8636 -0.0898 0.0377 -0.0039 83 GLU b CB +28962 C CG . GLU T 82 ? 1.1935 1.1276 1.1525 -0.0939 0.0391 -0.0047 83 GLU b CG +28963 C CD . GLU T 82 ? 1.3925 1.3350 1.3605 -0.0958 0.0383 -0.0070 83 GLU b CD +28964 O OE1 . GLU T 82 ? 1.4251 1.3748 1.3989 -0.0936 0.0365 -0.0080 83 GLU b OE1 +28965 O OE2 . GLU T 82 ? 1.8545 1.7961 1.8235 -0.0995 0.0395 -0.0080 83 GLU b OE2 +28966 N N . THR T 83 ? 0.9132 0.8429 0.8620 -0.0830 0.0380 -0.0005 84 THR b N +28967 C CA . THR T 83 ? 1.0823 1.0143 1.0314 -0.0796 0.0371 0.0000 84 THR b CA +28968 C C . THR T 83 ? 0.9915 0.9300 0.9464 -0.0804 0.0395 -0.0015 84 THR b C +28969 O O . THR T 83 ? 1.1306 1.0704 1.0878 -0.0838 0.0426 -0.0024 84 THR b O +28970 C CB . THR T 83 ? 0.8954 0.8198 0.8360 -0.0780 0.0379 0.0019 84 THR b CB +28971 O OG1 . THR T 83 ? 1.1789 1.0992 1.1160 -0.0807 0.0420 0.0022 84 THR b OG1 +28972 C CG2 . THR T 83 ? 1.2127 1.1311 1.1478 -0.0767 0.0353 0.0033 84 THR b CG2 +28973 N N . GLY T 84 ? 0.9261 0.8687 0.8836 -0.0774 0.0381 -0.0016 85 GLY b N +28974 C CA . GLY T 84 ? 0.7590 0.7078 0.7220 -0.0776 0.0402 -0.0030 85 GLY b CA +28975 C C . GLY T 84 ? 1.0183 0.9754 0.9902 -0.0792 0.0398 -0.0051 85 GLY b C +28976 O O . GLY T 84 ? 1.1211 1.0832 1.0977 -0.0803 0.0423 -0.0064 85 GLY b O +28977 N N . ILE T 85 ? 1.0081 0.9667 0.9823 -0.0792 0.0367 -0.0055 86 ILE b N +28978 C CA . ILE T 85 ? 0.9642 0.9305 0.9467 -0.0808 0.0361 -0.0076 86 ILE b CA +28979 C C . ILE T 85 ? 1.0253 0.9982 1.0131 -0.0774 0.0334 -0.0084 86 ILE b C +28980 O O . ILE T 85 ? 0.9843 0.9550 0.9689 -0.0741 0.0315 -0.0072 86 ILE b O +28981 C CB . ILE T 85 ? 1.0168 0.9814 0.9992 -0.0827 0.0342 -0.0079 86 ILE b CB +28982 C CG1 . ILE T 85 ? 1.0446 1.0055 1.0229 -0.0797 0.0304 -0.0065 86 ILE b CG1 +28983 C CG2 . ILE T 85 ? 1.0830 1.0414 1.0607 -0.0863 0.0373 -0.0074 86 ILE b CG2 +28984 C CD1 . ILE T 85 ? 0.9130 0.8800 0.8967 -0.0772 0.0266 -0.0074 86 ILE b CD1 +28985 N N . ASP T 86 ? 0.9616 0.9423 0.9573 -0.0783 0.0331 -0.0105 87 ASP b N +28986 C CA . ASP T 86 ? 0.9228 0.9100 0.9239 -0.0752 0.0303 -0.0114 87 ASP b CA +28987 C C . ASP T 86 ? 0.9364 0.9282 0.9427 -0.0760 0.0275 -0.0128 87 ASP b C +28988 O O . ASP T 86 ? 1.0612 1.0582 1.0734 -0.0786 0.0288 -0.0147 87 ASP b O +28989 C CB . ASP T 86 ? 0.9008 0.8940 0.9069 -0.0747 0.0327 -0.0127 87 ASP b CB +28990 C CG . ASP T 86 ? 1.0866 1.0861 1.0978 -0.0712 0.0298 -0.0136 87 ASP b CG +28991 O OD1 . ASP T 86 ? 1.0748 1.0740 1.0857 -0.0692 0.0260 -0.0132 87 ASP b OD1 +28992 O OD2 . ASP T 86 ? 1.5129 1.5175 1.5284 -0.0704 0.0314 -0.0147 87 ASP b OD2 +28993 N N . PRO T 87 ? 0.9449 0.9352 0.9496 -0.0737 0.0237 -0.0121 88 PRO b N +28994 C CA . PRO T 87 ? 0.8675 0.8614 0.8763 -0.0744 0.0210 -0.0134 88 PRO b CA +28995 C C . PRO T 87 ? 0.7747 0.7771 0.7910 -0.0724 0.0189 -0.0151 88 PRO b C +28996 O O . PRO T 87 ? 0.9548 0.9602 0.9743 -0.0723 0.0160 -0.0161 88 PRO b O +28997 C CB . PRO T 87 ? 0.8261 0.8140 0.8291 -0.0726 0.0180 -0.0117 88 PRO b CB +28998 C CG . PRO T 87 ? 0.8386 0.8236 0.8375 -0.0694 0.0180 -0.0101 88 PRO b CG +28999 C CD . PRO T 87 ? 0.7669 0.7518 0.7654 -0.0706 0.0219 -0.0101 88 PRO b CD +29000 N N . GLY T 88 ? 0.8042 0.8103 0.8231 -0.0706 0.0201 -0.0155 89 GLY b N +29001 C CA . GLY T 88 ? 0.6349 0.6482 0.6599 -0.0680 0.0178 -0.0169 89 GLY b CA +29002 C C . GLY T 88 ? 0.7108 0.7220 0.7331 -0.0644 0.0138 -0.0158 89 GLY b C +29003 O O . GLY T 88 ? 0.7231 0.7276 0.7388 -0.0635 0.0133 -0.0138 89 GLY b O +29004 N N . PHE T 89 ? 0.6787 0.6960 0.7064 -0.0624 0.0110 -0.0171 90 PHE b N +29005 C CA . PHE T 89 ? 0.6530 0.6685 0.6782 -0.0590 0.0073 -0.0161 90 PHE b CA +29006 C C . PHE T 89 ? 0.7518 0.7628 0.7732 -0.0600 0.0053 -0.0153 90 PHE b C +29007 O O . PHE T 89 ? 0.6977 0.7040 0.7142 -0.0579 0.0034 -0.0136 90 PHE b O +29008 C CB . PHE T 89 ? 0.6669 0.6895 0.6982 -0.0565 0.0047 -0.0176 90 PHE b CB +29009 C CG . PHE T 89 ? 0.7326 0.7529 0.7610 -0.0530 0.0011 -0.0165 90 PHE b CG +29010 C CD1 . PHE T 89 ? 0.7057 0.7230 0.7306 -0.0501 0.0011 -0.0151 90 PHE b CD1 +29011 C CD2 . PHE T 89 ? 0.7646 0.7852 0.7933 -0.0529 -0.0020 -0.0169 90 PHE b CD2 +29012 C CE1 . PHE T 89 ? 0.7161 0.7311 0.7382 -0.0471 -0.0020 -0.0141 90 PHE b CE1 +29013 C CE2 . PHE T 89 ? 0.7001 0.7183 0.7257 -0.0498 -0.0051 -0.0157 90 PHE b CE2 +29014 C CZ . PHE T 89 ? 0.8380 0.8533 0.8603 -0.0470 -0.0050 -0.0143 90 PHE b CZ +29015 N N . TRP T 90 ? 0.6293 0.6415 0.6529 -0.0633 0.0057 -0.0164 91 TRP b N +29016 C CA . TRP T 90 ? 0.6904 0.6989 0.7109 -0.0642 0.0035 -0.0159 91 TRP b CA +29017 C C . TRP T 90 ? 0.6712 0.6715 0.6845 -0.0658 0.0054 -0.0141 91 TRP b C +29018 O O . TRP T 90 ? 0.7300 0.7279 0.7422 -0.0690 0.0064 -0.0144 91 TRP b O +29019 C CB . TRP T 90 ? 0.7148 0.7281 0.7407 -0.0668 0.0028 -0.0181 91 TRP b CB +29020 C CG . TRP T 90 ? 0.7089 0.7300 0.7413 -0.0647 0.0002 -0.0199 91 TRP b CG +29021 C CD1 . TRP T 90 ? 0.6890 0.7177 0.7288 -0.0656 0.0011 -0.0221 91 TRP b CD1 +29022 C CD2 . TRP T 90 ? 0.6616 0.6833 0.6936 -0.0610 -0.0035 -0.0195 91 TRP b CD2 +29023 N NE1 . TRP T 90 ? 0.7469 0.7810 0.7909 -0.0627 -0.0021 -0.0231 91 TRP b NE1 +29024 C CE2 . TRP T 90 ? 0.6361 0.6659 0.6752 -0.0599 -0.0050 -0.0216 91 TRP b CE2 +29025 C CE3 . TRP T 90 ? 0.7115 0.7278 0.7377 -0.0587 -0.0058 -0.0177 91 TRP b CE3 +29026 C CZ2 . TRP T 90 ? 0.6152 0.6473 0.6554 -0.0563 -0.0086 -0.0218 91 TRP b CZ2 +29027 C CZ3 . TRP T 90 ? 0.6416 0.6603 0.6691 -0.0554 -0.0092 -0.0179 91 TRP b CZ3 +29028 C CH2 . TRP T 90 ? 0.6906 0.7168 0.7247 -0.0542 -0.0106 -0.0199 91 TRP b CH2 +29029 N N . SER T 91 ? 0.6407 0.6366 0.6491 -0.0636 0.0057 -0.0122 92 SER b N +29030 C CA . SER T 91 ? 0.6745 0.6625 0.6756 -0.0641 0.0065 -0.0103 92 SER b CA +29031 C C . SER T 91 ? 0.6682 0.6533 0.6662 -0.0623 0.0032 -0.0094 92 SER b C +29032 O O . SER T 91 ? 0.6281 0.6171 0.6294 -0.0607 0.0004 -0.0102 92 SER b O +29033 C CB . SER T 91 ? 0.6216 0.6066 0.6191 -0.0624 0.0082 -0.0088 92 SER b CB +29034 O OG . SER T 91 ? 0.7055 0.6921 0.7035 -0.0588 0.0059 -0.0084 92 SER b OG +29035 N N . PHE T 92 ? 0.6116 0.5898 0.6032 -0.0625 0.0034 -0.0077 93 PHE b N +29036 C CA . PHE T 92 ? 0.6758 0.6510 0.6641 -0.0605 0.0005 -0.0067 93 PHE b CA +29037 C C . PHE T 92 ? 0.6528 0.6304 0.6421 -0.0569 -0.0014 -0.0062 93 PHE b C +29038 O O . PHE T 92 ? 0.7134 0.6923 0.7035 -0.0552 -0.0043 -0.0064 93 PHE b O +29039 C CB . PHE T 92 ? 0.6580 0.6257 0.6393 -0.0608 0.0014 -0.0048 93 PHE b CB +29040 C CG . PHE T 92 ? 0.7454 0.7099 0.7249 -0.0641 0.0032 -0.0051 93 PHE b CG +29041 C CD1 . PHE T 92 ? 0.8350 0.8001 0.8158 -0.0657 0.0018 -0.0061 93 PHE b CD1 +29042 C CD2 . PHE T 92 ? 0.6989 0.6593 0.6749 -0.0657 0.0062 -0.0043 93 PHE b CD2 +29043 C CE1 . PHE T 92 ? 0.7033 0.6650 0.6822 -0.0689 0.0035 -0.0064 93 PHE b CE1 +29044 C CE2 . PHE T 92 ? 0.7253 0.6823 0.6993 -0.0688 0.0079 -0.0046 93 PHE b CE2 +29045 C CZ . PHE T 92 ? 0.7957 0.7533 0.7712 -0.0705 0.0066 -0.0056 93 PHE b CZ +29046 N N . GLU T 93 ? 0.6068 0.5846 0.5959 -0.0557 0.0001 -0.0057 94 GLU b N +29047 C CA . GLU T 93 ? 0.5802 0.5598 0.5700 -0.0524 -0.0015 -0.0053 94 GLU b CA +29048 C C . GLU T 93 ? 0.6868 0.6731 0.6828 -0.0514 -0.0031 -0.0070 94 GLU b C +29049 O O . GLU T 93 ? 0.6561 0.6435 0.6525 -0.0489 -0.0057 -0.0068 94 GLU b O +29050 C CB . GLU T 93 ? 0.6041 0.5823 0.5922 -0.0517 0.0008 -0.0046 94 GLU b CB +29051 C CG . GLU T 93 ? 0.6196 0.5912 0.6014 -0.0522 0.0022 -0.0029 94 GLU b CG +29052 C CD . GLU T 93 ? 0.6600 0.6295 0.6406 -0.0553 0.0052 -0.0031 94 GLU b CD +29053 O OE1 . GLU T 93 ? 0.6946 0.6682 0.6796 -0.0572 0.0066 -0.0046 94 GLU b OE1 +29054 O OE2 . GLU T 93 ? 0.6930 0.6568 0.6682 -0.0558 0.0060 -0.0017 94 GLU b OE2 +29055 N N . GLY T 94 ? 0.6100 0.6010 0.6108 -0.0532 -0.0015 -0.0086 95 GLY b N +29056 C CA . GLY T 94 ? 0.6163 0.6141 0.6234 -0.0522 -0.0031 -0.0104 95 GLY b CA +29057 C C . GLY T 94 ? 0.6563 0.6550 0.6642 -0.0520 -0.0062 -0.0110 95 GLY b C +29058 O O . GLY T 94 ? 0.6846 0.6865 0.6948 -0.0496 -0.0087 -0.0115 95 GLY b O +29059 N N . VAL T 95 ? 0.7177 0.7134 0.7234 -0.0545 -0.0060 -0.0109 96 VAL b N +29060 C CA . VAL T 95 ? 0.6660 0.6619 0.6718 -0.0544 -0.0088 -0.0113 96 VAL b CA +29061 C C . VAL T 95 ? 0.6634 0.6562 0.6653 -0.0512 -0.0113 -0.0098 96 VAL b C +29062 O O . VAL T 95 ? 0.6667 0.6619 0.6701 -0.0494 -0.0141 -0.0104 96 VAL b O +29063 C CB . VAL T 95 ? 0.7128 0.7049 0.7160 -0.0576 -0.0079 -0.0113 96 VAL b CB +29064 C CG1 . VAL T 95 ? 0.6351 0.6262 0.6372 -0.0572 -0.0109 -0.0115 96 VAL b CG1 +29065 C CG2 . VAL T 95 ? 0.6541 0.6500 0.6620 -0.0611 -0.0058 -0.0131 96 VAL b CG2 +29066 N N . ALA T 96 ? 0.6313 0.6187 0.6279 -0.0505 -0.0102 -0.0079 97 ALA b N +29067 C CA . ALA T 96 ? 0.6270 0.6113 0.6199 -0.0477 -0.0123 -0.0065 97 ALA b CA +29068 C C . ALA T 96 ? 0.5914 0.5793 0.5869 -0.0448 -0.0138 -0.0067 97 ALA b C +29069 O O . ALA T 96 ? 0.6932 0.6817 0.6886 -0.0428 -0.0164 -0.0067 97 ALA b O +29070 C CB . ALA T 96 ? 0.6082 0.5866 0.5955 -0.0476 -0.0109 -0.0045 97 ALA b CB +29071 N N . LEU T 97 ? 0.6784 0.6686 0.6762 -0.0445 -0.0120 -0.0070 98 LEU b N +29072 C CA . LEU T 97 ? 0.7072 0.7009 0.7077 -0.0417 -0.0130 -0.0074 98 LEU b CA +29073 C C . LEU T 97 ? 0.6702 0.6691 0.6753 -0.0410 -0.0155 -0.0091 98 LEU b C +29074 O O . LEU T 97 ? 0.6843 0.6838 0.6891 -0.0383 -0.0179 -0.0089 98 LEU b O +29075 C CB . LEU T 97 ? 0.6605 0.6564 0.6633 -0.0421 -0.0104 -0.0079 98 LEU b CB +29076 C CG . LEU T 97 ? 0.8839 0.8838 0.8900 -0.0394 -0.0110 -0.0086 98 LEU b CG +29077 C CD1 . LEU T 97 ? 0.8125 0.8095 0.8152 -0.0363 -0.0130 -0.0073 98 LEU b CD1 +29078 C CD2 . LEU T 97 ? 0.8265 0.8270 0.8334 -0.0400 -0.0079 -0.0088 98 LEU b CD2 +29079 N N . ALA T 98 ? 0.6460 0.6486 0.6550 -0.0434 -0.0149 -0.0108 99 ALA b N +29080 C CA . ALA T 98 ? 0.6533 0.6613 0.6671 -0.0428 -0.0172 -0.0126 99 ALA b CA +29081 C C . ALA T 98 ? 0.5816 0.5873 0.5925 -0.0415 -0.0204 -0.0120 99 ALA b C +29082 O O . ALA T 98 ? 0.6780 0.6866 0.6908 -0.0391 -0.0229 -0.0126 99 ALA b O +29083 C CB . ALA T 98 ? 0.6295 0.6412 0.6476 -0.0462 -0.0160 -0.0144 99 ALA b CB +29084 N N . HIS T 99 ? 0.6337 0.6340 0.6398 -0.0427 -0.0202 -0.0108 100 HIS b N +29085 C CA . HIS T 99 ? 0.6226 0.6205 0.6257 -0.0415 -0.0229 -0.0102 100 HIS b CA +29086 C C . HIS T 99 ? 0.6139 0.6094 0.6138 -0.0381 -0.0242 -0.0087 100 HIS b C +29087 O O . HIS T 99 ? 0.6181 0.6143 0.6178 -0.0361 -0.0269 -0.0089 100 HIS b O +29088 C CB . HIS T 99 ? 0.6170 0.6097 0.6157 -0.0437 -0.0222 -0.0094 100 HIS b CB +29089 C CG . HIS T 99 ? 0.6618 0.6564 0.6629 -0.0466 -0.0222 -0.0110 100 HIS b CG +29090 N ND1 . HIS T 99 ? 0.6403 0.6366 0.6442 -0.0495 -0.0197 -0.0119 100 HIS b ND1 +29091 C CD2 . HIS T 99 ? 0.6211 0.6158 0.6221 -0.0473 -0.0243 -0.0119 100 HIS b CD2 +29092 C CE1 . HIS T 99 ? 0.6038 0.6013 0.6093 -0.0519 -0.0202 -0.0133 100 HIS b CE1 +29093 N NE2 . HIS T 99 ? 0.7409 0.7374 0.7447 -0.0506 -0.0231 -0.0134 100 HIS b NE2 +29094 N N . ILE T 100 ? 0.6619 0.6546 0.6594 -0.0375 -0.0224 -0.0073 101 ILE b N +29095 C CA . ILE T 100 ? 0.5892 0.5798 0.5841 -0.0345 -0.0234 -0.0060 101 ILE b CA +29096 C C . ILE T 100 ? 0.6212 0.6165 0.6200 -0.0321 -0.0250 -0.0071 101 ILE b C +29097 O O . ILE T 100 ? 0.6465 0.6410 0.6437 -0.0297 -0.0272 -0.0066 101 ILE b O +29098 C CB . ILE T 100 ? 0.7262 0.7136 0.7185 -0.0346 -0.0210 -0.0046 101 ILE b CB +29099 C CG1 . ILE T 100 ? 0.6697 0.6522 0.6577 -0.0365 -0.0198 -0.0034 101 ILE b CG1 +29100 C CG2 . ILE T 100 ? 0.6618 0.6475 0.6520 -0.0316 -0.0219 -0.0035 101 ILE b CG2 +29101 C CD1 . ILE T 100 ? 0.7200 0.6990 0.7040 -0.0355 -0.0218 -0.0024 101 ILE b CD1 +29102 N N . VAL T 101 ? 0.6711 0.6713 0.6748 -0.0327 -0.0239 -0.0086 102 VAL b N +29103 C CA . VAL T 101 ? 0.6060 0.6107 0.6134 -0.0301 -0.0254 -0.0097 102 VAL b CA +29104 C C . VAL T 101 ? 0.6316 0.6390 0.6408 -0.0294 -0.0285 -0.0108 102 VAL b C +29105 O O . VAL T 101 ? 0.7368 0.7446 0.7455 -0.0265 -0.0308 -0.0107 102 VAL b O +29106 C CB . VAL T 101 ? 0.6265 0.6362 0.6392 -0.0310 -0.0234 -0.0111 102 VAL b CB +29107 C CG1 . VAL T 101 ? 0.5887 0.6034 0.6055 -0.0281 -0.0251 -0.0124 102 VAL b CG1 +29108 C CG2 . VAL T 101 ? 0.6060 0.6125 0.6162 -0.0313 -0.0205 -0.0099 102 VAL b CG2 +29109 N N . LEU T 102 ? 0.6464 0.6552 0.6572 -0.0320 -0.0286 -0.0119 103 LEU b N +29110 C CA . LEU T 102 ? 0.6574 0.6683 0.6694 -0.0315 -0.0316 -0.0130 103 LEU b CA +29111 C C . LEU T 102 ? 0.5970 0.6031 0.6035 -0.0294 -0.0337 -0.0115 103 LEU b C +29112 O O . LEU T 102 ? 0.6969 0.7044 0.7037 -0.0271 -0.0364 -0.0119 103 LEU b O +29113 C CB . LEU T 102 ? 0.6641 0.6761 0.6777 -0.0350 -0.0310 -0.0142 103 LEU b CB +29114 C CG . LEU T 102 ? 0.6538 0.6675 0.6683 -0.0351 -0.0340 -0.0155 103 LEU b CG +29115 C CD1 . LEU T 102 ? 0.6523 0.6729 0.6727 -0.0335 -0.0360 -0.0175 103 LEU b CD1 +29116 C CD2 . LEU T 102 ? 0.5428 0.5559 0.5577 -0.0389 -0.0329 -0.0162 103 LEU b CD2 +29117 N N . SER T 103 ? 0.6356 0.6359 0.6370 -0.0302 -0.0324 -0.0096 104 SER b N +29118 C CA . SER T 103 ? 0.6469 0.6424 0.6430 -0.0284 -0.0339 -0.0080 104 SER b CA +29119 C C . SER T 103 ? 0.6208 0.6165 0.6163 -0.0249 -0.0352 -0.0075 104 SER b C +29120 O O . SER T 103 ? 0.6414 0.6360 0.6348 -0.0229 -0.0376 -0.0072 104 SER b O +29121 C CB . SER T 103 ? 0.6184 0.6083 0.6097 -0.0296 -0.0319 -0.0061 104 SER b CB +29122 O OG . SER T 103 ? 0.7233 0.7090 0.7098 -0.0279 -0.0333 -0.0047 104 SER b OG +29123 N N . GLY T 104 ? 0.7165 0.7133 0.7136 -0.0242 -0.0336 -0.0073 105 GLY b N +29124 C CA . GLY T 104 ? 0.5993 0.5958 0.5957 -0.0210 -0.0347 -0.0068 105 GLY b CA +29125 C C . GLY T 104 ? 0.7021 0.7035 0.7022 -0.0189 -0.0372 -0.0084 105 GLY b C +29126 O O . GLY T 104 ? 0.6386 0.6385 0.6365 -0.0162 -0.0394 -0.0079 105 GLY b O +29127 N N . LEU T 105 ? 0.6807 0.6877 0.6864 -0.0203 -0.0370 -0.0104 106 LEU b N +29128 C CA . LEU T 105 ? 0.6355 0.6478 0.6453 -0.0184 -0.0395 -0.0122 106 LEU b CA +29129 C C . LEU T 105 ? 0.6941 0.7052 0.7016 -0.0177 -0.0425 -0.0123 106 LEU b C +29130 O O . LEU T 105 ? 0.6991 0.7113 0.7065 -0.0147 -0.0452 -0.0127 106 LEU b O +29131 C CB . LEU T 105 ? 0.6977 0.7165 0.7142 -0.0205 -0.0385 -0.0144 106 LEU b CB +29132 C CG . LEU T 105 ? 0.7577 0.7788 0.7773 -0.0205 -0.0358 -0.0147 106 LEU b CG +29133 C CD1 . LEU T 105 ? 0.7787 0.8064 0.8050 -0.0226 -0.0347 -0.0169 106 LEU b CD1 +29134 C CD2 . LEU T 105 ? 0.7769 0.7985 0.7964 -0.0166 -0.0370 -0.0144 106 LEU b CD2 +29135 N N . LEU T 106 ? 0.6477 0.6563 0.6530 -0.0202 -0.0422 -0.0120 107 LEU b N +29136 C CA . LEU T 106 ? 0.6224 0.6295 0.6250 -0.0195 -0.0450 -0.0121 107 LEU b CA +29137 C C . LEU T 106 ? 0.6984 0.7001 0.6951 -0.0168 -0.0460 -0.0101 107 LEU b C +29138 O O . LEU T 106 ? 0.6698 0.6712 0.6648 -0.0147 -0.0488 -0.0103 107 LEU b O +29139 C CB . LEU T 106 ? 0.5997 0.6048 0.6009 -0.0228 -0.0442 -0.0122 107 LEU b CB +29140 C CG . LEU T 106 ? 0.6637 0.6737 0.6704 -0.0259 -0.0431 -0.0141 107 LEU b CG +29141 C CD1 . LEU T 106 ? 0.6546 0.6611 0.6589 -0.0292 -0.0414 -0.0137 107 LEU b CD1 +29142 C CD2 . LEU T 106 ? 0.6890 0.7043 0.6998 -0.0252 -0.0460 -0.0164 107 LEU b CD2 +29143 N N . PHE T 107 ? 0.6872 0.6845 0.6805 -0.0170 -0.0438 -0.0082 108 PHE b N +29144 C CA . PHE T 107 ? 0.6632 0.6553 0.6510 -0.0147 -0.0446 -0.0063 108 PHE b CA +29145 C C . PHE T 107 ? 0.6304 0.6242 0.6190 -0.0111 -0.0466 -0.0067 108 PHE b C +29146 O O . PHE T 107 ? 0.6879 0.6793 0.6730 -0.0090 -0.0488 -0.0061 108 PHE b O +29147 C CB . PHE T 107 ? 0.6730 0.6611 0.6581 -0.0155 -0.0418 -0.0045 108 PHE b CB +29148 C CG . PHE T 107 ? 0.7940 0.7772 0.7740 -0.0133 -0.0422 -0.0026 108 PHE b CG +29149 C CD1 . PHE T 107 ? 0.7676 0.7507 0.7478 -0.0109 -0.0422 -0.0023 108 PHE b CD1 +29150 C CD2 . PHE T 107 ? 0.6090 0.5876 0.5841 -0.0135 -0.0425 -0.0013 108 PHE b CD2 +29151 C CE1 . PHE T 107 ? 0.7571 0.7355 0.7326 -0.0091 -0.0425 -0.0006 108 PHE b CE1 +29152 C CE2 . PHE T 107 ? 0.7554 0.7295 0.7259 -0.0116 -0.0428 0.0004 108 PHE b CE2 +29153 C CZ . PHE T 107 ? 0.7016 0.6755 0.6723 -0.0095 -0.0428 0.0008 108 PHE b CZ +29154 N N . LEU T 108 ? 0.6671 0.6648 0.6600 -0.0105 -0.0459 -0.0077 109 LEU b N +29155 C CA . LEU T 108 ? 0.6989 0.6984 0.6929 -0.0070 -0.0477 -0.0081 109 LEU b CA +29156 C C . LEU T 108 ? 0.7317 0.7347 0.7275 -0.0056 -0.0510 -0.0097 109 LEU b C +29157 O O . LEU T 108 ? 0.6635 0.6650 0.6568 -0.0025 -0.0533 -0.0094 109 LEU b O +29158 C CB . LEU T 108 ? 0.6700 0.6736 0.6688 -0.0067 -0.0462 -0.0091 109 LEU b CB +29159 C CG . LEU T 108 ? 0.8011 0.8013 0.7979 -0.0072 -0.0433 -0.0076 109 LEU b CG +29160 C CD1 . LEU T 108 ? 0.6784 0.6831 0.6802 -0.0070 -0.0418 -0.0089 109 LEU b CD1 +29161 C CD2 . LEU T 108 ? 0.7025 0.6970 0.6937 -0.0046 -0.0440 -0.0058 109 LEU b CD2 +29162 N N . ALA T 109 ? 0.6177 0.6250 0.6176 -0.0079 -0.0513 -0.0115 110 ALA b N +29163 C CA . ALA T 109 ? 0.6462 0.6571 0.6480 -0.0068 -0.0546 -0.0132 110 ALA b CA +29164 C C . ALA T 109 ? 0.6798 0.6856 0.6755 -0.0059 -0.0566 -0.0120 110 ALA b C +29165 O O . ALA T 109 ? 0.6323 0.6386 0.6269 -0.0032 -0.0596 -0.0126 110 ALA b O +29166 C CB . ALA T 109 ? 0.6472 0.6635 0.6546 -0.0099 -0.0543 -0.0153 110 ALA b CB +29167 N N . ALA T 110 ? 0.6802 0.6809 0.6715 -0.0079 -0.0548 -0.0104 111 ALA b N +29168 C CA . ALA T 110 ? 0.6204 0.6159 0.6056 -0.0071 -0.0563 -0.0092 111 ALA b CA +29169 C C . ALA T 110 ? 0.6725 0.6644 0.6534 -0.0035 -0.0575 -0.0078 111 ALA b C +29170 O O . ALA T 110 ? 0.6702 0.6600 0.6476 -0.0015 -0.0599 -0.0076 111 ALA b O +29171 C CB . ALA T 110 ? 0.5901 0.5810 0.5717 -0.0098 -0.0540 -0.0077 111 ALA b CB +29172 N N . CYS T 111 ? 0.6378 0.6287 0.6188 -0.0026 -0.0557 -0.0068 112 CYS b N +29173 C CA . CYS T 111 ? 0.6726 0.6597 0.6495 0.0007 -0.0566 -0.0054 112 CYS b CA +29174 C C . CYS T 111 ? 0.6965 0.6869 0.6753 0.0039 -0.0598 -0.0069 112 CYS b C +29175 O O . CYS T 111 ? 0.6522 0.6393 0.6265 0.0066 -0.0618 -0.0061 112 CYS b O +29176 C CB . CYS T 111 ? 0.7904 0.7759 0.7673 0.0010 -0.0542 -0.0043 112 CYS b CB +29177 S SG . CYS T 111 ? 0.7269 0.7075 0.7006 -0.0020 -0.0508 -0.0023 112 CYS b SG +29178 N N . TRP T 112 ? 0.6388 0.6359 0.6242 0.0038 -0.0601 -0.0089 113 TRP b N +29179 C CA . TRP T 112 ? 0.6921 0.6932 0.6799 0.0069 -0.0632 -0.0105 113 TRP b CA +29180 C C . TRP T 112 ? 0.7129 0.7138 0.6986 0.0075 -0.0664 -0.0112 113 TRP b C +29181 O O . TRP T 112 ? 0.7832 0.7817 0.7652 0.0107 -0.0689 -0.0108 113 TRP b O +29182 C CB . TRP T 112 ? 0.6077 0.6165 0.6035 0.0062 -0.0628 -0.0128 113 TRP b CB +29183 C CG . TRP T 112 ? 0.7597 0.7727 0.7584 0.0098 -0.0658 -0.0143 113 TRP b CG +29184 C CD1 . TRP T 112 ? 0.6812 0.6945 0.6805 0.0129 -0.0658 -0.0141 113 TRP b CD1 +29185 C CD2 . TRP T 112 ? 0.7515 0.7687 0.7524 0.0110 -0.0692 -0.0162 113 TRP b CD2 +29186 N NE1 . TRP T 112 ? 0.8181 0.8357 0.8200 0.0160 -0.0691 -0.0159 113 TRP b NE1 +29187 C CE2 . TRP T 112 ? 0.8092 0.8295 0.8123 0.0149 -0.0713 -0.0172 113 TRP b CE2 +29188 C CE3 . TRP T 112 ? 0.6375 0.6563 0.6390 0.0091 -0.0709 -0.0174 113 TRP b CE3 +29189 C CZ2 . TRP T 112 ? 0.7464 0.7713 0.7522 0.0171 -0.0750 -0.0192 113 TRP b CZ2 +29190 C CZ3 . TRP T 112 ? 0.7369 0.7603 0.7410 0.0110 -0.0745 -0.0194 113 TRP b CZ3 +29191 C CH2 . TRP T 112 ? 0.7955 0.8220 0.8018 0.0150 -0.0766 -0.0203 113 TRP b CH2 +29192 N N . HIS T 113 ? 0.7307 0.7334 0.7181 0.0044 -0.0661 -0.0122 114 HIS b N +29193 C CA . HIS T 113 ? 0.6239 0.6264 0.6094 0.0047 -0.0691 -0.0130 114 HIS b CA +29194 C C . HIS T 113 ? 0.7480 0.7429 0.7252 0.0059 -0.0695 -0.0108 114 HIS b C +29195 O O . HIS T 113 ? 0.6909 0.6848 0.6651 0.0077 -0.0725 -0.0112 114 HIS b O +29196 C CB . HIS T 113 ? 0.5956 0.6014 0.5847 0.0008 -0.0684 -0.0144 114 HIS b CB +29197 C CG . HIS T 113 ? 0.7196 0.7336 0.7166 0.0002 -0.0695 -0.0172 114 HIS b CG +29198 N ND1 . HIS T 113 ? 0.7371 0.7551 0.7362 0.0020 -0.0732 -0.0192 114 HIS b ND1 +29199 C CD2 . HIS T 113 ? 0.7118 0.7309 0.7152 -0.0020 -0.0673 -0.0184 114 HIS b CD2 +29200 C CE1 . HIS T 113 ? 0.6741 0.6996 0.6809 0.0008 -0.0732 -0.0215 114 HIS b CE1 +29201 N NE2 . HIS T 113 ? 0.6627 0.6889 0.6722 -0.0016 -0.0696 -0.0210 114 HIS b NE2 +29202 N N . TRP T 114 ? 0.7418 0.7314 0.7150 0.0050 -0.0668 -0.0086 115 TRP b N +29203 C CA . TRP T 114 ? 0.7656 0.7482 0.7311 0.0063 -0.0671 -0.0065 115 TRP b CA +29204 C C . TRP T 114 ? 0.8064 0.7867 0.7688 0.0104 -0.0690 -0.0058 115 TRP b C +29205 O O . TRP T 114 ? 0.7274 0.7040 0.6845 0.0124 -0.0710 -0.0052 115 TRP b O +29206 C CB . TRP T 114 ? 0.6946 0.6725 0.6572 0.0041 -0.0636 -0.0044 115 TRP b CB +29207 C CG . TRP T 114 ? 0.7248 0.6958 0.6799 0.0051 -0.0635 -0.0023 115 TRP b CG +29208 C CD1 . TRP T 114 ? 0.6586 0.6248 0.6091 0.0073 -0.0632 -0.0005 115 TRP b CD1 +29209 C CD2 . TRP T 114 ? 0.7301 0.6979 0.6812 0.0037 -0.0637 -0.0019 115 TRP b CD2 +29210 N NE1 . TRP T 114 ? 0.7101 0.6707 0.6543 0.0073 -0.0629 0.0011 115 TRP b NE1 +29211 C CE2 . TRP T 114 ? 0.7077 0.6692 0.6521 0.0052 -0.0633 0.0003 115 TRP b CE2 +29212 C CE3 . TRP T 114 ? 0.6994 0.6691 0.6519 0.0014 -0.0640 -0.0031 115 TRP b CE3 +29213 C CZ2 . TRP T 114 ? 0.7486 0.7059 0.6879 0.0045 -0.0631 0.0012 115 TRP b CZ2 +29214 C CZ3 . TRP T 114 ? 0.7025 0.6678 0.6498 0.0008 -0.0640 -0.0021 115 TRP b CZ3 +29215 C CH2 . TRP T 114 ? 0.6535 0.6128 0.5943 0.0024 -0.0635 0.0000 115 TRP b CH2 +29216 N N . VAL T 115 ? 0.7269 0.7091 0.6922 0.0118 -0.0683 -0.0059 116 VAL b N +29217 C CA . VAL T 115 ? 0.7305 0.7099 0.6925 0.0158 -0.0698 -0.0051 116 VAL b CA +29218 C C . VAL T 115 ? 0.7752 0.7587 0.7391 0.0186 -0.0737 -0.0070 116 VAL b C +29219 O O . VAL T 115 ? 0.7963 0.7761 0.7550 0.0216 -0.0760 -0.0064 116 VAL b O +29220 C CB . VAL T 115 ? 0.7012 0.6810 0.6654 0.0164 -0.0677 -0.0046 116 VAL b CB +29221 C CG1 . VAL T 115 ? 0.6753 0.6528 0.6366 0.0206 -0.0695 -0.0041 116 VAL b CG1 +29222 C CG2 . VAL T 115 ? 0.6831 0.6582 0.6444 0.0140 -0.0643 -0.0026 116 VAL b CG2 +29223 N N . TYR T 116 ? 0.7563 0.7472 0.7274 0.0177 -0.0745 -0.0094 117 TYR b N +29224 C CA . TYR T 116 ? 0.7738 0.7696 0.7478 0.0203 -0.0783 -0.0116 117 TYR b CA +29225 C C . TYR T 116 ? 0.6655 0.6632 0.6399 0.0184 -0.0801 -0.0129 117 TYR b C +29226 O O . TYR T 116 ? 0.7431 0.7477 0.7239 0.0171 -0.0811 -0.0153 117 TYR b O +29227 C CB . TYR T 116 ? 0.6906 0.6939 0.6727 0.0206 -0.0781 -0.0136 117 TYR b CB +29228 C CG . TYR T 116 ? 0.7848 0.7862 0.7662 0.0230 -0.0768 -0.0125 117 TYR b CG +29229 C CD1 . TYR T 116 ? 0.8395 0.8381 0.8170 0.0274 -0.0791 -0.0119 117 TYR b CD1 +29230 C CD2 . TYR T 116 ? 0.8236 0.8259 0.8080 0.0208 -0.0732 -0.0120 117 TYR b CD2 +29231 C CE1 . TYR T 116 ? 0.8890 0.8856 0.8658 0.0295 -0.0779 -0.0110 117 TYR b CE1 +29232 C CE2 . TYR T 116 ? 0.7645 0.7649 0.7481 0.0229 -0.0720 -0.0111 117 TYR b CE2 +29233 C CZ . TYR T 116 ? 0.8168 0.8144 0.7968 0.0272 -0.0743 -0.0106 117 TYR b CZ +29234 O OH . TYR T 116 ? 0.9567 0.9519 0.9356 0.0293 -0.0731 -0.0097 117 TYR b OH +29235 N N . TRP T 117 ? 0.7494 0.7409 0.7168 0.0184 -0.0804 -0.0114 118 TRP b N +29236 C CA . TRP T 117 ? 0.7831 0.7752 0.7498 0.0166 -0.0819 -0.0124 118 TRP b CA +29237 C C . TRP T 117 ? 0.8532 0.8486 0.8206 0.0193 -0.0863 -0.0144 118 TRP b C +29238 O O . TRP T 117 ? 0.8770 0.8760 0.8471 0.0176 -0.0879 -0.0163 118 TRP b O +29239 C CB . TRP T 117 ? 0.7766 0.7608 0.7353 0.0158 -0.0807 -0.0101 118 TRP b CB +29240 C CG . TRP T 117 ? 0.7742 0.7525 0.7259 0.0196 -0.0821 -0.0084 118 TRP b CG +29241 C CD1 . TRP T 117 ? 0.7360 0.7097 0.6843 0.0211 -0.0802 -0.0063 118 TRP b CD1 +29242 C CD2 . TRP T 117 ? 0.7631 0.7394 0.7101 0.0225 -0.0856 -0.0087 118 TRP b CD2 +29243 N NE1 . TRP T 117 ? 0.7599 0.7287 0.7017 0.0245 -0.0822 -0.0052 118 TRP b NE1 +29244 C CE2 . TRP T 117 ? 0.8698 0.8400 0.8105 0.0256 -0.0856 -0.0066 118 TRP b CE2 +29245 C CE3 . TRP T 117 ? 0.8364 0.8151 0.7837 0.0227 -0.0888 -0.0105 118 TRP b CE3 +29246 C CZ2 . TRP T 117 ? 0.8894 0.8557 0.8239 0.0289 -0.0886 -0.0063 118 TRP b CZ2 +29247 C CZ3 . TRP T 117 ? 0.8020 0.7770 0.7431 0.0261 -0.0919 -0.0103 118 TRP b CZ3 +29248 C CH2 . TRP T 117 ? 0.8400 0.8089 0.7748 0.0292 -0.0917 -0.0081 118 TRP b CH2 +29249 N N . ASP T 118 ? 0.8976 0.8916 0.8625 0.0235 -0.0885 -0.0140 119 ASP b N +29250 C CA . ASP T 118 ? 0.8365 0.8322 0.8003 0.0267 -0.0930 -0.0155 119 ASP b CA +29251 C C . ASP T 118 ? 0.7605 0.7653 0.7330 0.0276 -0.0950 -0.0183 119 ASP b C +29252 O O . ASP T 118 ? 0.8877 0.8941 0.8607 0.0315 -0.0974 -0.0189 119 ASP b O +29253 C CB . ASP T 118 ? 0.8495 0.8385 0.8057 0.0309 -0.0943 -0.0136 119 ASP b CB +29254 C CG . ASP T 118 ? 1.0464 1.0352 0.9993 0.0341 -0.0989 -0.0147 119 ASP b CG +29255 O OD1 . ASP T 118 ? 1.0440 1.0366 0.9993 0.0327 -0.1009 -0.0167 119 ASP b OD1 +29256 O OD2 . ASP T 118 ? 1.2121 1.1967 1.1597 0.0381 -0.1006 -0.0136 119 ASP b OD2 +29257 N N . LEU T 119 ? 0.8864 0.8972 0.8657 0.0240 -0.0940 -0.0202 120 LEU b N +29258 C CA . LEU T 119 ? 0.9244 0.9444 0.9126 0.0243 -0.0956 -0.0230 120 LEU b CA +29259 C C . LEU T 119 ? 0.9800 1.0036 0.9690 0.0257 -0.1002 -0.0253 120 LEU b C +29260 O O . LEU T 119 ? 0.9783 0.9987 0.9630 0.0245 -0.1013 -0.0252 120 LEU b O +29261 C CB . LEU T 119 ? 0.8758 0.9007 0.8709 0.0196 -0.0925 -0.0241 120 LEU b CB +29262 C CG . LEU T 119 ? 0.8611 0.8836 0.8564 0.0183 -0.0881 -0.0222 120 LEU b CG +29263 C CD1 . LEU T 119 ? 0.8814 0.9094 0.8841 0.0140 -0.0852 -0.0235 120 LEU b CD1 +29264 C CD2 . LEU T 119 ? 0.7810 0.8039 0.7767 0.0223 -0.0884 -0.0217 120 LEU b CD2 +29265 N N . GLU T 120 ? 0.9218 0.9520 0.9162 0.0285 -0.1029 -0.0274 121 GLU b N +29266 C CA . GLU T 120 ? 0.9617 0.9957 0.9572 0.0302 -0.1077 -0.0298 121 GLU b CA +29267 C C . GLU T 120 ? 0.8739 0.9132 0.8747 0.0258 -0.1078 -0.0321 121 GLU b C +29268 O O . GLU T 120 ? 0.8184 0.8578 0.8173 0.0260 -0.1110 -0.0333 121 GLU b O +29269 C CB . GLU T 120 ? 0.9496 0.9899 0.9501 0.0343 -0.1105 -0.0316 121 GLU b CB +29270 C CG . GLU T 120 ? 1.0409 1.0845 1.0416 0.0372 -0.1158 -0.0338 121 GLU b CG +29271 C CD . GLU T 120 ? 1.1870 1.2410 1.1976 0.0348 -0.1173 -0.0374 121 GLU b CD +29272 O OE1 . GLU T 120 ? 1.2001 1.2566 1.2108 0.0353 -0.1212 -0.0393 121 GLU b OE1 +29273 O OE2 . GLU T 120 ? 1.1524 1.2122 1.1708 0.0322 -0.1144 -0.0383 121 GLU b OE2 +29274 N N . LEU T 121 ? 0.7975 0.8408 0.8047 0.0219 -0.1043 -0.0326 122 LEU b N +29275 C CA . LEU T 121 ? 0.7518 0.7996 0.7640 0.0173 -0.1039 -0.0347 122 LEU b CA +29276 C C . LEU T 121 ? 0.7660 0.8075 0.7715 0.0153 -0.1042 -0.0337 122 LEU b C +29277 O O . LEU T 121 ? 0.8779 0.9225 0.8859 0.0128 -0.1057 -0.0358 122 LEU b O +29278 C CB . LEU T 121 ? 0.7407 0.7915 0.7588 0.0134 -0.0994 -0.0346 122 LEU b CB +29279 C CG . LEU T 121 ? 0.8942 0.9492 0.9177 0.0082 -0.0980 -0.0364 122 LEU b CG +29280 C CD1 . LEU T 121 ? 0.8151 0.8788 0.8456 0.0082 -0.1016 -0.0400 122 LEU b CD1 +29281 C CD2 . LEU T 121 ? 0.7086 0.7656 0.7368 0.0051 -0.0933 -0.0359 122 LEU b CD2 +29282 N N . PHE T 122 ? 0.7864 0.8190 0.7833 0.0163 -0.1027 -0.0307 123 PHE b N +29283 C CA . PHE T 122 ? 0.8989 0.9251 0.8892 0.0142 -0.1022 -0.0296 123 PHE b CA +29284 C C . PHE T 122 ? 0.8718 0.8948 0.8558 0.0171 -0.1064 -0.0299 123 PHE b C +29285 O O . PHE T 122 ? 0.9505 0.9684 0.9290 0.0156 -0.1064 -0.0292 123 PHE b O +29286 C CB . PHE T 122 ? 0.9087 0.9271 0.8929 0.0134 -0.0982 -0.0263 123 PHE b CB +29287 C CG . PHE T 122 ? 0.7547 0.7752 0.7439 0.0106 -0.0940 -0.0258 123 PHE b CG +29288 C CD1 . PHE T 122 ? 0.6977 0.7245 0.6945 0.0068 -0.0929 -0.0278 123 PHE b CD1 +29289 C CD2 . PHE T 122 ? 0.6556 0.6718 0.6420 0.0116 -0.0912 -0.0232 123 PHE b CD2 +29290 C CE1 . PHE T 122 ? 0.7328 0.7613 0.7337 0.0042 -0.0890 -0.0273 123 PHE b CE1 +29291 C CE2 . PHE T 122 ? 0.6876 0.7057 0.6783 0.0090 -0.0873 -0.0228 123 PHE b CE2 +29292 C CZ . PHE T 122 ? 0.7075 0.7315 0.7053 0.0054 -0.0862 -0.0248 123 PHE b CZ +29293 N N . ARG T 123 ? 0.9632 0.9885 0.9475 0.0214 -0.1099 -0.0307 124 ARG b N +29294 C CA . ARG T 123 ? 1.0835 1.1056 1.0616 0.0246 -0.1141 -0.0310 124 ARG b CA +29295 C C . ARG T 123 ? 0.9176 0.9471 0.9012 0.0242 -0.1181 -0.0345 124 ARG b C +29296 O O . ARG T 123 ? 0.9571 0.9951 0.9497 0.0236 -0.1187 -0.0368 124 ARG b O +29297 C CB . ARG T 123 ? 0.9097 0.9291 0.8838 0.0300 -0.1158 -0.0297 124 ARG b CB +29298 C CG . ARG T 123 ? 1.0963 1.1092 1.0658 0.0305 -0.1120 -0.0264 124 ARG b CG +29299 C CD . ARG T 123 ? 1.1303 1.1335 1.0897 0.0303 -0.1108 -0.0238 124 ARG b CD +29300 N NE . ARG T 123 ? 1.1713 1.1680 1.1252 0.0324 -0.1086 -0.0208 124 ARG b NE +29301 C CZ . ARG T 123 ? 1.2279 1.2160 1.1725 0.0339 -0.1082 -0.0184 124 ARG b CZ +29302 N NH1 . ARG T 123 ? 1.2266 1.2112 1.1657 0.0337 -0.1100 -0.0185 124 ARG b NH1 +29303 N NH2 . ARG T 123 ? 1.1273 1.1101 1.0678 0.0356 -0.1061 -0.0159 124 ARG b NH2 +29304 N N . ASP T 124 ? 1.0097 1.0360 0.9881 0.0243 -0.1208 -0.0351 125 ASP b N +29305 C CA . ASP T 124 ? 0.9328 0.9656 0.9156 0.0245 -0.1252 -0.0385 125 ASP b CA +29306 C C . ASP T 124 ? 1.1435 1.1797 1.1274 0.0297 -0.1292 -0.0394 125 ASP b C +29307 O O . ASP T 124 ? 1.0303 1.0602 1.0064 0.0338 -0.1302 -0.0374 125 ASP b O +29308 C CB . ASP T 124 ? 1.3768 1.4046 1.3527 0.0237 -0.1273 -0.0387 125 ASP b CB +29309 C CG . ASP T 124 ? 1.3578 1.3923 1.3382 0.0237 -0.1320 -0.0424 125 ASP b CG +29310 O OD1 . ASP T 124 ? 1.2633 1.2993 1.2424 0.0280 -0.1363 -0.0434 125 ASP b OD1 +29311 O OD2 . ASP T 124 ? 1.3298 1.3681 1.3151 0.0193 -0.1314 -0.0443 125 ASP b OD2 +29312 N N . PRO T 125 ? 1.3361 1.3821 1.3293 0.0299 -0.1313 -0.0425 126 PRO b N +29313 C CA . PRO T 125 ? 1.3689 1.4183 1.3634 0.0352 -0.1349 -0.0433 126 PRO b CA +29314 C C . PRO T 125 ? 1.5455 1.5907 1.5323 0.0392 -0.1398 -0.0435 126 PRO b C +29315 O O . PRO T 125 ? 1.5287 1.5710 1.5110 0.0442 -0.1416 -0.0423 126 PRO b O +29316 C CB . PRO T 125 ? 1.2169 1.2784 1.2236 0.0337 -0.1363 -0.0470 126 PRO b CB +29317 C CG . PRO T 125 ? 1.1994 1.2628 1.2111 0.0275 -0.1320 -0.0473 126 PRO b CG +29318 C CD . PRO T 125 ? 1.3309 1.3852 1.3338 0.0253 -0.1306 -0.0453 126 PRO b CD +29319 N N . ARG T 126 ? 1.3205 1.3648 1.3050 0.0371 -0.1418 -0.0448 127 ARG b N +29320 C CA . ARG T 126 ? 1.4920 1.5322 1.4687 0.0408 -0.1465 -0.0451 127 ARG b CA +29321 C C . ARG T 126 ? 1.4051 1.4335 1.3698 0.0427 -0.1447 -0.0413 127 ARG b C +29322 O O . ARG T 126 ? 1.3473 1.3716 1.3061 0.0476 -0.1467 -0.0400 127 ARG b O +29323 C CB . ARG T 126 ? 1.5681 1.6105 1.5458 0.0377 -0.1489 -0.0477 127 ARG b CB +29324 C CG . ARG T 126 ? 1.5809 1.6351 1.5707 0.0354 -0.1507 -0.0516 127 ARG b CG +29325 C CD . ARG T 126 ? 1.8384 1.8947 1.8336 0.0290 -0.1465 -0.0520 127 ARG b CD +29326 N NE . ARG T 126 ? 1.9963 2.0463 1.9850 0.0261 -0.1461 -0.0516 127 ARG b NE +29327 C CZ . ARG T 126 ? 1.9099 1.9600 1.9011 0.0207 -0.1429 -0.0519 127 ARG b CZ +29328 N NH1 . ARG T 126 ? 1.8780 1.9217 1.8627 0.0185 -0.1426 -0.0513 127 ARG b NH1 +29329 N NH2 . ARG T 126 ? 1.6763 1.7328 1.6768 0.0174 -0.1398 -0.0527 127 ARG b NH2 +29330 N N . THR T 127 ? 1.3501 1.3727 1.3108 0.0389 -0.1410 -0.0395 128 THR b N +29331 C CA . THR T 127 ? 1.2427 1.2543 1.1919 0.0403 -0.1394 -0.0362 128 THR b CA +29332 C C . THR T 127 ? 1.2548 1.2623 1.2020 0.0417 -0.1357 -0.0331 128 THR b C +29333 O O . THR T 127 ? 1.0615 1.0608 0.9995 0.0447 -0.1355 -0.0305 128 THR b O +29334 C CB . THR T 127 ? 1.3347 1.3418 1.2804 0.0359 -0.1368 -0.0355 128 THR b CB +29335 O OG1 . THR T 127 ? 1.2008 1.2046 1.1465 0.0333 -0.1313 -0.0330 128 THR b OG1 +29336 C CG2 . THR T 127 ? 1.2432 1.2576 1.1964 0.0320 -0.1382 -0.0389 128 THR b CG2 +29337 N N . GLY T 128 ? 1.3113 1.3240 1.2665 0.0397 -0.1326 -0.0333 129 GLY b N +29338 C CA . GLY T 128 ? 0.9847 0.9936 0.9383 0.0404 -0.1288 -0.0305 129 GLY b CA +29339 C C . GLY T 128 ? 1.1421 1.1437 1.0906 0.0372 -0.1241 -0.0277 129 GLY b C +29340 O O . GLY T 128 ? 1.0896 1.0872 1.0359 0.0378 -0.1209 -0.0252 129 GLY b O +29341 N N . GLU T 129 ? 1.0223 1.0221 0.9688 0.0340 -0.1236 -0.0281 130 GLU b N +29342 C CA . GLU T 129 ? 1.1744 1.1683 1.1170 0.0306 -0.1192 -0.0258 130 GLU b CA +29343 C C . GLU T 129 ? 0.9638 0.9631 0.9149 0.0260 -0.1159 -0.0267 130 GLU b C +29344 O O . GLU T 129 ? 0.9862 0.9937 0.9457 0.0248 -0.1173 -0.0294 130 GLU b O +29345 C CB . GLU T 129 ? 1.1481 1.1373 1.0842 0.0296 -0.1205 -0.0259 130 GLU b CB +29346 C CG . GLU T 129 ? 1.3057 1.2883 1.2322 0.0339 -0.1233 -0.0248 130 GLU b CG +29347 C CD . GLU T 129 ? 1.8517 1.8323 1.7738 0.0331 -0.1259 -0.0261 130 GLU b CD +29348 O OE1 . GLU T 129 ? 1.6624 1.6479 1.5901 0.0297 -0.1262 -0.0284 130 GLU b OE1 +29349 O OE2 . GLU T 129 ? 2.0781 2.0520 1.9911 0.0360 -0.1275 -0.0249 130 GLU b OE2 +29350 N N . PRO T 130 ? 0.9458 0.9407 0.8949 0.0233 -0.1114 -0.0245 131 PRO b N +29351 C CA . PRO T 130 ? 0.8453 0.8447 0.8017 0.0188 -0.1082 -0.0252 131 PRO b CA +29352 C C . PRO T 130 ? 0.8002 0.8032 0.7597 0.0156 -0.1097 -0.0277 131 PRO b C +29353 O O . PRO T 130 ? 0.8645 0.8633 0.8182 0.0155 -0.1111 -0.0278 131 PRO b O +29354 C CB . PRO T 130 ? 0.9722 0.9646 0.9236 0.0170 -0.1037 -0.0222 131 PRO b CB +29355 C CG . PRO T 130 ? 0.9616 0.9472 0.9049 0.0209 -0.1042 -0.0198 131 PRO b CG +29356 C CD . PRO T 130 ? 0.9179 0.9036 0.8580 0.0241 -0.1090 -0.0212 131 PRO b CD +29357 N N . ALA T 131 ? 0.7947 0.8054 0.7634 0.0130 -0.1092 -0.0299 132 ALA b N +29358 C CA . ALA T 131 ? 0.8233 0.8380 0.7957 0.0099 -0.1108 -0.0326 132 ALA b CA +29359 C C . ALA T 131 ? 0.8176 0.8389 0.7992 0.0060 -0.1082 -0.0340 132 ALA b C +29360 O O . ALA T 131 ? 0.9009 0.9278 0.8888 0.0070 -0.1080 -0.0347 132 ALA b O +29361 C CB . ALA T 131 ? 0.9517 0.9706 0.9254 0.0125 -0.1162 -0.0353 132 ALA b CB +29362 N N . LEU T 132 ? 0.8153 0.8356 0.7976 0.0017 -0.1062 -0.0344 133 LEU b N +29363 C CA . LEU T 132 ? 0.8145 0.8406 0.8051 -0.0024 -0.1038 -0.0359 133 LEU b CA +29364 C C . LEU T 132 ? 0.7654 0.7951 0.7589 -0.0051 -0.1063 -0.0389 133 LEU b C +29365 O O . LEU T 132 ? 0.9379 0.9626 0.9256 -0.0060 -0.1071 -0.0388 133 LEU b O +29366 C CB . LEU T 132 ? 0.7588 0.7801 0.7473 -0.0055 -0.0988 -0.0336 133 LEU b CB +29367 C CG . LEU T 132 ? 0.8021 0.8202 0.7884 -0.0034 -0.0960 -0.0308 133 LEU b CG +29368 C CD1 . LEU T 132 ? 0.8493 0.8627 0.8335 -0.0066 -0.0914 -0.0287 133 LEU b CD1 +29369 C CD2 . LEU T 132 ? 0.8121 0.8372 0.8059 -0.0023 -0.0959 -0.0317 133 LEU b CD2 +29370 N N . ASP T 133 ? 0.7715 0.8099 0.7740 -0.0065 -0.1074 -0.0417 134 ASP b N +29371 C CA . ASP T 133 ? 0.6962 0.7388 0.7027 -0.0096 -0.1095 -0.0448 134 ASP b CA +29372 C C . ASP T 133 ? 0.7013 0.7424 0.7094 -0.0148 -0.1054 -0.0446 134 ASP b C +29373 O O . ASP T 133 ? 0.7265 0.7733 0.7422 -0.0178 -0.1034 -0.0459 134 ASP b O +29374 C CB . ASP T 133 ? 0.9213 0.9741 0.9370 -0.0089 -0.1123 -0.0479 134 ASP b CB +29375 C CG . ASP T 133 ? 0.7977 0.8550 0.8173 -0.0118 -0.1151 -0.0514 134 ASP b CG +29376 O OD1 . ASP T 133 ? 0.8100 0.8621 0.8244 -0.0138 -0.1154 -0.0513 134 ASP b OD1 +29377 O OD2 . ASP T 133 ? 0.9436 1.0099 0.9717 -0.0120 -0.1171 -0.0542 134 ASP b OD2 +29378 N N . LEU T 134 ? 0.7594 0.7924 0.7597 -0.0159 -0.1041 -0.0428 135 LEU b N +29379 C CA . LEU T 134 ? 0.7107 0.7411 0.7113 -0.0205 -0.1001 -0.0423 135 LEU b CA +29380 C C . LEU T 134 ? 0.6578 0.6939 0.6654 -0.0248 -0.1005 -0.0454 135 LEU b C +29381 O O . LEU T 134 ? 0.7494 0.7868 0.7610 -0.0284 -0.0969 -0.0453 135 LEU b O +29382 C CB . LEU T 134 ? 0.6871 0.7081 0.6781 -0.0205 -0.0993 -0.0403 135 LEU b CB +29383 C CG . LEU T 134 ? 0.8438 0.8588 0.8279 -0.0167 -0.0984 -0.0370 135 LEU b CG +29384 C CD1 . LEU T 134 ? 0.6382 0.6447 0.6129 -0.0163 -0.0984 -0.0355 135 LEU b CD1 +29385 C CD2 . LEU T 134 ? 0.8105 0.8251 0.7965 -0.0174 -0.0940 -0.0348 135 LEU b CD2 +29386 N N . PRO T 135 ? 0.7658 0.8053 0.7750 -0.0250 -0.1046 -0.0482 136 PRO b N +29387 C CA . PRO T 135 ? 0.6471 0.6921 0.6633 -0.0295 -0.1047 -0.0512 136 PRO b CA +29388 C C . PRO T 135 ? 0.6336 0.6873 0.6598 -0.0308 -0.1032 -0.0525 136 PRO b C +29389 O O . PRO T 135 ? 0.7052 0.7610 0.7361 -0.0353 -0.1004 -0.0534 136 PRO b O +29390 C CB . PRO T 135 ? 0.7980 0.8454 0.8138 -0.0284 -0.1100 -0.0540 136 PRO b CB +29391 C CG . PRO T 135 ? 0.6997 0.7392 0.7054 -0.0247 -0.1116 -0.0519 136 PRO b CG +29392 C CD . PRO T 135 ? 0.6403 0.6775 0.6439 -0.0215 -0.1092 -0.0488 136 PRO b CD +29393 N N . LYS T 136 ? 0.6823 0.7409 0.7117 -0.0270 -0.1048 -0.0526 137 LYS b N +29394 C CA . LYS T 136 ? 0.8095 0.8764 0.8485 -0.0281 -0.1033 -0.0540 137 LYS b CA +29395 C C . LYS T 136 ? 0.7857 0.8499 0.8244 -0.0289 -0.0981 -0.0512 137 LYS b C +29396 O O . LYS T 136 ? 0.7378 0.8068 0.7833 -0.0319 -0.0953 -0.0521 137 LYS b O +29397 C CB . LYS T 136 ? 0.6945 0.7680 0.7375 -0.0237 -0.1070 -0.0553 137 LYS b CB +29398 C CG . LYS T 136 ? 0.7270 0.8105 0.7810 -0.0251 -0.1059 -0.0574 137 LYS b CG +29399 C CD . LYS T 136 ? 0.9117 1.0012 0.9693 -0.0203 -0.1090 -0.0583 137 LYS b CD +29400 C CE . LYS T 136 ? 0.9330 1.0254 0.9905 -0.0183 -0.1148 -0.0608 137 LYS b CE +29401 N NZ . LYS T 136 ? 1.1075 1.2014 1.1637 -0.0123 -0.1180 -0.0604 137 LYS b NZ +29402 N N . MET T 137 ? 0.7565 0.8130 0.7873 -0.0263 -0.0969 -0.0480 138 MET b N +29403 C CA . MET T 137 ? 0.7366 0.7894 0.7660 -0.0274 -0.0920 -0.0453 138 MET b CA +29404 C C . MET T 137 ? 0.7607 0.8120 0.7913 -0.0328 -0.0888 -0.0457 138 MET b C +29405 O O . MET T 137 ? 0.6720 0.7256 0.7072 -0.0352 -0.0852 -0.0455 138 MET b O +29406 C CB . MET T 137 ? 0.7822 0.8261 0.8021 -0.0244 -0.0914 -0.0420 138 MET b CB +29407 C CG . MET T 137 ? 0.7266 0.7712 0.7453 -0.0193 -0.0931 -0.0409 138 MET b CG +29408 S SD . MET T 137 ? 0.8246 0.8586 0.8318 -0.0161 -0.0928 -0.0373 138 MET b SD +29409 C CE . MET T 137 ? 0.7124 0.7413 0.7177 -0.0200 -0.0872 -0.0351 138 MET b CE +29410 N N . PHE T 138 ? 0.7331 0.7804 0.7597 -0.0347 -0.0900 -0.0464 139 PHE b N +29411 C CA . PHE T 138 ? 0.7443 0.7893 0.7712 -0.0397 -0.0871 -0.0467 139 PHE b CA +29412 C C . PHE T 138 ? 0.7261 0.7793 0.7627 -0.0434 -0.0863 -0.0494 139 PHE b C +29413 O O . PHE T 138 ? 0.7471 0.7997 0.7857 -0.0470 -0.0824 -0.0490 139 PHE b O +29414 C CB . PHE T 138 ? 0.6941 0.7338 0.7152 -0.0410 -0.0890 -0.0473 139 PHE b CB +29415 C CG . PHE T 138 ? 0.8177 0.8553 0.8394 -0.0461 -0.0864 -0.0479 139 PHE b CG +29416 C CD1 . PHE T 138 ? 0.6929 0.7245 0.7109 -0.0477 -0.0821 -0.0454 139 PHE b CD1 +29417 C CD2 . PHE T 138 ? 0.6499 0.6916 0.6761 -0.0495 -0.0881 -0.0511 139 PHE b CD2 +29418 C CE1 . PHE T 138 ? 0.7625 0.7917 0.7806 -0.0524 -0.0796 -0.0460 139 PHE b CE1 +29419 C CE2 . PHE T 138 ? 0.8238 0.8632 0.8504 -0.0544 -0.0855 -0.0517 139 PHE b CE2 +29420 C CZ . PHE T 138 ? 0.7517 0.7846 0.7741 -0.0557 -0.0812 -0.0491 139 PHE b CZ +29421 N N . GLY T 139 ? 0.7677 0.8287 0.8103 -0.0425 -0.0898 -0.0523 140 GLY b N +29422 C CA . GLY T 139 ? 0.6983 0.7676 0.7505 -0.0460 -0.0890 -0.0550 140 GLY b CA +29423 C C . GLY T 139 ? 0.7840 0.8571 0.8413 -0.0458 -0.0855 -0.0541 140 GLY b C +29424 O O . GLY T 139 ? 0.7601 0.8354 0.8220 -0.0498 -0.0821 -0.0547 140 GLY b O +29425 N N . ILE T 140 ? 0.7821 0.8558 0.8384 -0.0411 -0.0862 -0.0526 141 ILE b N +29426 C CA . ILE T 140 ? 0.6720 0.7485 0.7321 -0.0404 -0.0830 -0.0515 141 ILE b CA +29427 C C . ILE T 140 ? 0.7899 0.8602 0.8465 -0.0433 -0.0780 -0.0490 141 ILE b C +29428 O O . ILE T 140 ? 0.7184 0.7918 0.7801 -0.0464 -0.0746 -0.0495 141 ILE b O +29429 C CB . ILE T 140 ? 0.8321 0.9081 0.8896 -0.0347 -0.0847 -0.0498 141 ILE b CB +29430 C CG1 . ILE T 140 ? 0.7285 0.8114 0.7902 -0.0317 -0.0896 -0.0524 141 ILE b CG1 +29431 C CG2 . ILE T 140 ? 0.7918 0.8691 0.8518 -0.0338 -0.0810 -0.0483 141 ILE b CG2 +29432 C CD1 . ILE T 140 ? 0.7114 0.7923 0.7690 -0.0259 -0.0918 -0.0508 141 ILE b CD1 +29433 N N . HIS T 141 ? 0.7490 0.8103 0.7968 -0.0424 -0.0775 -0.0465 142 HIS b N +29434 C CA . HIS T 141 ? 0.6886 0.7437 0.7325 -0.0446 -0.0730 -0.0441 142 HIS b CA +29435 C C . HIS T 141 ? 0.6951 0.7500 0.7411 -0.0501 -0.0709 -0.0454 142 HIS b C +29436 O O . HIS T 141 ? 0.7048 0.7586 0.7519 -0.0527 -0.0668 -0.0445 142 HIS b O +29437 C CB . HIS T 141 ? 0.6754 0.7213 0.7095 -0.0422 -0.0733 -0.0412 142 HIS b CB +29438 C CG . HIS T 141 ? 0.6583 0.7035 0.6899 -0.0372 -0.0744 -0.0395 142 HIS b CG +29439 N ND1 . HIS T 141 ? 0.6448 0.6831 0.6683 -0.0343 -0.0756 -0.0374 142 HIS b ND1 +29440 C CD2 . HIS T 141 ? 0.6959 0.7460 0.7318 -0.0346 -0.0744 -0.0395 142 HIS b CD2 +29441 C CE1 . HIS T 141 ? 0.6880 0.7269 0.7109 -0.0303 -0.0763 -0.0362 142 HIS b CE1 +29442 N NE2 . HIS T 141 ? 0.7577 0.8036 0.7880 -0.0303 -0.0757 -0.0375 142 HIS b NE2 +29443 N N . LEU T 142 ? 0.7104 0.7663 0.7570 -0.0520 -0.0736 -0.0477 143 LEU b N +29444 C CA . LEU T 142 ? 0.6382 0.6937 0.6867 -0.0573 -0.0716 -0.0491 143 LEU b CA +29445 C C . LEU T 142 ? 0.5772 0.6410 0.6352 -0.0602 -0.0697 -0.0511 143 LEU b C +29446 O O . LEU T 142 ? 0.6841 0.7467 0.7434 -0.0641 -0.0659 -0.0509 143 LEU b O +29447 C CB . LEU T 142 ? 0.6787 0.7333 0.7255 -0.0585 -0.0752 -0.0511 143 LEU b CB +29448 C CG . LEU T 142 ? 0.7712 0.8252 0.8197 -0.0641 -0.0738 -0.0529 143 LEU b CG +29449 C CD1 . LEU T 142 ? 0.6182 0.6636 0.6606 -0.0663 -0.0697 -0.0505 143 LEU b CD1 +29450 C CD2 . LEU T 142 ? 0.7078 0.7612 0.7544 -0.0643 -0.0781 -0.0550 143 LEU b CD2 +29451 N N . PHE T 143 ? 0.6672 0.7395 0.7320 -0.0581 -0.0724 -0.0532 144 PHE b N +29452 C CA . PHE T 143 ? 0.6996 0.7805 0.7738 -0.0601 -0.0706 -0.0550 144 PHE b CA +29453 C C . PHE T 143 ? 0.7973 0.8764 0.8712 -0.0602 -0.0658 -0.0527 144 PHE b C +29454 O O . PHE T 143 ? 0.7502 0.8313 0.8282 -0.0641 -0.0623 -0.0532 144 PHE b O +29455 C CB . PHE T 143 ? 0.7778 0.8674 0.8581 -0.0566 -0.0744 -0.0571 144 PHE b CB +29456 C CG . PHE T 143 ? 0.8831 0.9824 0.9735 -0.0581 -0.0729 -0.0592 144 PHE b CG +29457 C CD1 . PHE T 143 ? 0.8413 0.9468 0.9388 -0.0624 -0.0731 -0.0624 144 PHE b CD1 +29458 C CD2 . PHE T 143 ? 0.8670 0.9693 0.9600 -0.0552 -0.0712 -0.0581 144 PHE b CD2 +29459 C CE1 . PHE T 143 ? 0.8132 0.9280 0.9203 -0.0639 -0.0714 -0.0644 144 PHE b CE1 +29460 C CE2 . PHE T 143 ? 0.9818 1.0932 1.0842 -0.0565 -0.0697 -0.0601 144 PHE b CE2 +29461 C CZ . PHE T 143 ? 0.8441 0.9618 0.9536 -0.0609 -0.0697 -0.0633 144 PHE b CZ +29462 N N . LEU T 144 ? 0.6993 0.7742 0.7680 -0.0560 -0.0658 -0.0500 145 LEU b N +29463 C CA . LEU T 144 ? 0.6412 0.7139 0.7090 -0.0557 -0.0616 -0.0477 145 LEU b CA +29464 C C . LEU T 144 ? 0.6819 0.7475 0.7451 -0.0595 -0.0578 -0.0461 145 LEU b C +29465 O O . LEU T 144 ? 0.7281 0.7946 0.7940 -0.0620 -0.0539 -0.0458 145 LEU b O +29466 C CB . LEU T 144 ? 0.6887 0.7574 0.7509 -0.0505 -0.0626 -0.0451 145 LEU b CB +29467 C CG . LEU T 144 ? 0.8085 0.8843 0.8757 -0.0466 -0.0655 -0.0464 145 LEU b CG +29468 C CD1 . LEU T 144 ? 0.9151 0.9859 0.9758 -0.0416 -0.0668 -0.0439 145 LEU b CD1 +29469 C CD2 . LEU T 144 ? 0.9628 1.0457 1.0379 -0.0476 -0.0628 -0.0474 145 LEU b CD2 +29470 N N . ALA T 145 ? 0.6929 0.7511 0.7489 -0.0598 -0.0589 -0.0451 146 ALA b N +29471 C CA . ALA T 145 ? 0.7404 0.7916 0.7917 -0.0633 -0.0555 -0.0436 146 ALA b CA +29472 C C . ALA T 145 ? 0.7364 0.7912 0.7934 -0.0685 -0.0535 -0.0459 146 ALA b C +29473 O O . ALA T 145 ? 0.7974 0.8491 0.8534 -0.0714 -0.0495 -0.0448 146 ALA b O +29474 C CB . ALA T 145 ? 0.6581 0.7017 0.7015 -0.0627 -0.0574 -0.0427 146 ALA b CB +29475 N N . GLY T 146 ? 0.7414 0.8028 0.8043 -0.0698 -0.0562 -0.0490 147 GLY b N +29476 C CA . GLY T 146 ? 0.6972 0.7622 0.7656 -0.0751 -0.0545 -0.0513 147 GLY b CA +29477 C C . GLY T 146 ? 0.7325 0.8034 0.8078 -0.0765 -0.0510 -0.0517 147 GLY b C +29478 O O . GLY T 146 ? 0.7257 0.7953 0.8020 -0.0807 -0.0473 -0.0518 147 GLY b O +29479 N N . LEU T 147 ? 0.7203 0.7977 0.8002 -0.0729 -0.0522 -0.0521 148 LEU b N +29480 C CA . LEU T 147 ? 0.7282 0.8107 0.8139 -0.0736 -0.0488 -0.0522 148 LEU b CA +29481 C C . LEU T 147 ? 0.8431 0.9183 0.9233 -0.0744 -0.0442 -0.0492 148 LEU b C +29482 O O . LEU T 147 ? 0.7706 0.8464 0.8533 -0.0781 -0.0403 -0.0494 148 LEU b O +29483 C CB . LEU T 147 ? 0.7712 0.8597 0.8605 -0.0686 -0.0508 -0.0523 148 LEU b CB +29484 C CG . LEU T 147 ? 0.9915 1.0899 1.0888 -0.0673 -0.0546 -0.0555 148 LEU b CG +29485 C CD1 . LEU T 147 ? 0.9193 1.0219 1.0188 -0.0622 -0.0557 -0.0550 148 LEU b CD1 +29486 C CD2 . LEU T 147 ? 0.9869 1.0927 1.0929 -0.0721 -0.0526 -0.0584 148 LEU b CD2 +29487 N N A LEU T 148 ? 0.7032 0.7713 0.7756 -0.0711 -0.0448 -0.0464 149 LEU b N +29488 N N B LEU T 148 ? 0.7032 0.7714 0.7756 -0.0710 -0.0448 -0.0464 149 LEU b N +29489 C CA A LEU T 148 ? 0.7554 0.8166 0.8224 -0.0714 -0.0408 -0.0435 149 LEU b CA +29490 C CA B LEU T 148 ? 0.7553 0.8163 0.8220 -0.0713 -0.0409 -0.0435 149 LEU b CA +29491 C C A LEU T 148 ? 0.7675 0.8228 0.8309 -0.0761 -0.0383 -0.0432 149 LEU b C +29492 C C B LEU T 148 ? 0.7676 0.8230 0.8312 -0.0761 -0.0383 -0.0432 149 LEU b C +29493 O O A LEU T 148 ? 0.7342 0.7873 0.7972 -0.0784 -0.0342 -0.0422 149 LEU b O +29494 O O B LEU T 148 ? 0.7343 0.7879 0.7978 -0.0785 -0.0342 -0.0424 149 LEU b O +29495 C CB A LEU T 148 ? 0.7577 0.8129 0.8173 -0.0669 -0.0423 -0.0408 149 LEU b CB +29496 C CB B LEU T 148 ? 0.7583 0.8128 0.8173 -0.0670 -0.0424 -0.0408 149 LEU b CB +29497 C CG A LEU T 148 ? 0.8481 0.8982 0.9033 -0.0656 -0.0390 -0.0379 149 LEU b CG +29498 C CG B LEU T 148 ? 0.7345 0.7925 0.7948 -0.0620 -0.0444 -0.0402 149 LEU b CG +29499 C CD1 A LEU T 148 ? 0.6332 0.6892 0.6945 -0.0658 -0.0363 -0.0384 149 LEU b CD1 +29500 C CD1 B LEU T 148 ? 0.7539 0.8045 0.8059 -0.0586 -0.0457 -0.0376 149 LEU b CD1 +29501 C CD2 A LEU T 148 ? 0.7334 0.7795 0.7830 -0.0608 -0.0412 -0.0358 149 LEU b CD2 +29502 C CD2 B LEU T 148 ? 0.7305 0.7916 0.7944 -0.0618 -0.0410 -0.0397 149 LEU b CD2 +29503 N N . CYS T 149 ? 0.6905 0.7425 0.7509 -0.0773 -0.0406 -0.0440 150 CYS b N +29504 C CA . CYS T 149 ? 0.6598 0.7061 0.7169 -0.0818 -0.0384 -0.0439 150 CYS b CA +29505 C C . CYS T 149 ? 0.6659 0.7175 0.7300 -0.0865 -0.0357 -0.0461 150 CYS b C +29506 O O . CYS T 149 ? 0.7115 0.7591 0.7738 -0.0896 -0.0317 -0.0451 150 CYS b O +29507 C CB . CYS T 149 ? 0.6453 0.6884 0.6988 -0.0822 -0.0419 -0.0448 150 CYS b CB +29508 S SG . CYS T 149 ? 0.6992 0.7341 0.7474 -0.0871 -0.0399 -0.0447 150 CYS b SG +29509 N N . PHE T 150 ? 0.7971 0.8579 0.8694 -0.0870 -0.0378 -0.0490 151 PHE b N +29510 C CA . PHE T 150 ? 0.8199 0.8866 0.8996 -0.0915 -0.0353 -0.0512 151 PHE b CA +29511 C C . PHE T 150 ? 0.7264 0.7944 0.8080 -0.0916 -0.0309 -0.0499 151 PHE b C +29512 O O . PHE T 150 ? 0.8284 0.8947 0.9105 -0.0957 -0.0269 -0.0499 151 PHE b O +29513 C CB . PHE T 150 ? 0.7911 0.8682 0.8797 -0.0913 -0.0387 -0.0546 151 PHE b CB +29514 C CG . PHE T 150 ? 0.8620 0.9469 0.9594 -0.0952 -0.0360 -0.0570 151 PHE b CG +29515 C CD1 . PHE T 150 ? 0.8288 0.9132 0.9280 -0.1008 -0.0345 -0.0587 151 PHE b CD1 +29516 C CD2 . PHE T 150 ? 0.8489 0.9414 0.9528 -0.0933 -0.0348 -0.0574 151 PHE b CD2 +29517 C CE1 . PHE T 150 ? 0.8830 0.9745 0.9904 -0.1046 -0.0318 -0.0608 151 PHE b CE1 +29518 C CE2 . PHE T 150 ? 0.8776 0.9773 0.9897 -0.0970 -0.0322 -0.0596 151 PHE b CE2 +29519 C CZ . PHE T 150 ? 0.7888 0.8882 0.9029 -0.1027 -0.0306 -0.0613 151 PHE b CZ +29520 N N . GLY T 151 ? 0.7200 0.7906 0.8024 -0.0871 -0.0315 -0.0488 152 GLY b N +29521 C CA . GLY T 151 ? 0.6782 0.7500 0.7623 -0.0869 -0.0275 -0.0477 152 GLY b CA +29522 C C . GLY T 151 ? 0.7433 0.8056 0.8195 -0.0879 -0.0239 -0.0447 152 GLY b C +29523 O O . GLY T 151 ? 0.7136 0.7755 0.7908 -0.0903 -0.0197 -0.0443 152 GLY b O +29524 N N . PHE T 152 ? 0.7602 0.8145 0.8282 -0.0860 -0.0255 -0.0427 153 PHE b N +29525 C CA . PHE T 152 ? 0.7282 0.7733 0.7886 -0.0870 -0.0224 -0.0400 153 PHE b CA +29526 C C . PHE T 152 ? 0.7003 0.7427 0.7606 -0.0925 -0.0194 -0.0408 153 PHE b C +29527 O O . PHE T 152 ? 0.7965 0.8356 0.8550 -0.0945 -0.0154 -0.0396 153 PHE b O +29528 C CB . PHE T 152 ? 0.7380 0.7755 0.7902 -0.0841 -0.0249 -0.0380 153 PHE b CB +29529 C CG . PHE T 152 ? 0.7996 0.8275 0.8438 -0.0852 -0.0221 -0.0354 153 PHE b CG +29530 C CD1 . PHE T 152 ? 0.6307 0.6562 0.6728 -0.0842 -0.0189 -0.0334 153 PHE b CD1 +29531 C CD2 . PHE T 152 ? 0.6613 0.6825 0.6999 -0.0868 -0.0229 -0.0351 153 PHE b CD2 +29532 C CE1 . PHE T 152 ? 0.7464 0.7632 0.7811 -0.0850 -0.0166 -0.0311 153 PHE b CE1 +29533 C CE2 . PHE T 152 ? 0.7297 0.7422 0.7610 -0.0875 -0.0204 -0.0328 153 PHE b CE2 +29534 C CZ . PHE T 152 ? 0.7776 0.7879 0.8069 -0.0866 -0.0173 -0.0308 153 PHE b CZ +29535 N N . GLY T 153 ? 0.7591 0.8030 0.8216 -0.0952 -0.0214 -0.0430 154 GLY b N +29536 C CA . GLY T 153 ? 0.7252 0.7665 0.7877 -0.1007 -0.0187 -0.0440 154 GLY b CA +29537 C C . GLY T 153 ? 0.7430 0.7914 0.8133 -0.1040 -0.0155 -0.0457 154 GLY b C +29538 O O . GLY T 153 ? 0.7686 0.8133 0.8373 -0.1075 -0.0114 -0.0451 154 GLY b O +29539 N N . ALA T 154 ? 0.7649 0.8232 0.8436 -0.1028 -0.0173 -0.0479 155 ALA b N +29540 C CA . ALA T 154 ? 0.7229 0.7888 0.8099 -0.1063 -0.0146 -0.0501 155 ALA b CA +29541 C C . ALA T 154 ? 0.8705 0.9368 0.9578 -0.1055 -0.0104 -0.0485 155 ALA b C +29542 O O . ALA T 154 ? 0.7939 0.8620 0.8846 -0.1094 -0.0064 -0.0493 155 ALA b O +29543 C CB . ALA T 154 ? 0.7142 0.7912 0.8104 -0.1051 -0.0181 -0.0531 155 ALA b CB +29544 N N . PHE T 155 ? 0.7808 0.8453 0.8647 -0.1006 -0.0111 -0.0463 156 PHE b N +29545 C CA . PHE T 155 ? 0.8114 0.8768 0.8959 -0.0993 -0.0076 -0.0450 156 PHE b CA +29546 C C . PHE T 155 ? 0.7578 0.8130 0.8329 -0.0985 -0.0052 -0.0416 156 PHE b C +29547 O O . PHE T 155 ? 0.7533 0.8062 0.8273 -0.1008 -0.0009 -0.0408 156 PHE b O +29548 C CB . PHE T 155 ? 0.7334 0.8059 0.8223 -0.0943 -0.0102 -0.0454 156 PHE b CB +29549 C CG . PHE T 155 ? 0.8040 0.8870 0.9024 -0.0947 -0.0126 -0.0487 156 PHE b CG +29550 C CD1 . PHE T 155 ? 0.8004 0.8908 0.9068 -0.0981 -0.0098 -0.0509 156 PHE b CD1 +29551 C CD2 . PHE T 155 ? 0.7665 0.8521 0.8659 -0.0918 -0.0177 -0.0497 156 PHE b CD2 +29552 C CE1 . PHE T 155 ? 0.8677 0.9682 0.9832 -0.0985 -0.0122 -0.0542 156 PHE b CE1 +29553 C CE2 . PHE T 155 ? 0.9462 1.0418 1.0544 -0.0921 -0.0202 -0.0529 156 PHE b CE2 +29554 C CZ . PHE T 155 ? 0.8649 0.9681 0.9814 -0.0954 -0.0175 -0.0551 156 PHE b CZ +29555 N N . HIS T 156 ? 0.7548 0.8039 0.8231 -0.0953 -0.0078 -0.0397 157 HIS b N +29556 C CA . HIS T 156 ? 0.7455 0.7854 0.8052 -0.0942 -0.0057 -0.0366 157 HIS b CA +29557 C C . HIS T 156 ? 0.6105 0.6431 0.6655 -0.0987 -0.0029 -0.0361 157 HIS b C +29558 O O . HIS T 156 ? 0.7425 0.7714 0.7948 -0.1002 0.0010 -0.0347 157 HIS b O +29559 C CB . HIS T 156 ? 0.6498 0.6852 0.7037 -0.0898 -0.0092 -0.0348 157 HIS b CB +29560 C CG . HIS T 156 ? 0.7163 0.7434 0.7621 -0.0881 -0.0073 -0.0317 157 HIS b CG +29561 N ND1 . HIS T 156 ? 0.7606 0.7871 0.8043 -0.0836 -0.0082 -0.0300 157 HIS b ND1 +29562 C CD2 . HIS T 156 ? 0.6676 0.6865 0.7070 -0.0902 -0.0048 -0.0300 157 HIS b CD2 +29563 C CE1 . HIS T 156 ? 0.7425 0.7612 0.7790 -0.0832 -0.0063 -0.0275 157 HIS b CE1 +29564 N NE2 . HIS T 156 ? 0.6494 0.6634 0.6831 -0.0870 -0.0042 -0.0275 157 HIS b NE2 +29565 N N . LEU T 157 ? 0.6916 0.7220 0.7453 -0.1008 -0.0049 -0.0371 158 LEU b N +29566 C CA . LEU T 157 ? 0.7325 0.7545 0.7802 -0.1044 -0.0026 -0.0362 158 LEU b CA +29567 C C . LEU T 157 ? 0.7757 0.8000 0.8276 -0.1096 0.0013 -0.0377 158 LEU b C +29568 O O . LEU T 157 ? 0.7308 0.7481 0.7776 -0.1121 0.0047 -0.0364 158 LEU b O +29569 C CB . LEU T 157 ? 0.6607 0.6791 0.7053 -0.1049 -0.0059 -0.0368 158 LEU b CB +29570 C CG . LEU T 157 ? 0.8121 0.8274 0.8518 -0.0999 -0.0094 -0.0351 158 LEU b CG +29571 C CD1 . LEU T 157 ? 0.7157 0.7288 0.7533 -0.1005 -0.0129 -0.0362 158 LEU b CD1 +29572 C CD2 . LEU T 157 ? 0.6740 0.6806 0.7053 -0.0983 -0.0073 -0.0319 158 LEU b CD2 +29573 N N . THR T 158 ? 0.6558 0.6896 0.7168 -0.1113 0.0008 -0.0405 159 THR b N +29574 C CA . THR T 158 ? 0.6873 0.7238 0.7529 -0.1164 0.0047 -0.0421 159 THR b CA +29575 C C . THR T 158 ? 0.8223 0.8593 0.8881 -0.1161 0.0090 -0.0408 159 THR b C +29576 O O . THR T 158 ? 0.8640 0.9000 0.9307 -0.1203 0.0131 -0.0412 159 THR b O +29577 C CB . THR T 158 ? 0.7237 0.7710 0.7996 -0.1182 0.0029 -0.0456 159 THR b CB +29578 O OG1 . THR T 158 ? 0.7302 0.7856 0.8116 -0.1140 0.0013 -0.0461 159 THR b OG1 +29579 C CG2 . THR T 158 ? 0.7218 0.7686 0.7973 -0.1186 -0.0014 -0.0470 159 THR b CG2 +29580 N N . GLY T 159 ? 0.8329 0.8709 0.8977 -0.1113 0.0082 -0.0393 160 GLY b N +29581 C CA . GLY T 159 ? 0.7036 0.7438 0.7700 -0.1108 0.0118 -0.0385 160 GLY b CA +29582 C C . GLY T 159 ? 0.7492 0.8007 0.8260 -0.1114 0.0123 -0.0411 160 GLY b C +29583 O O . GLY T 159 ? 0.8434 0.8973 0.9223 -0.1115 0.0158 -0.0409 160 GLY b O +29584 N N . LEU T 160 ? 0.8111 0.8699 0.8946 -0.1117 0.0090 -0.0437 161 LEU b N +29585 C CA . LEU T 160 ? 0.7780 0.8481 0.8717 -0.1117 0.0091 -0.0463 161 LEU b CA +29586 C C . LEU T 160 ? 0.8147 0.8881 0.9094 -0.1064 0.0083 -0.0453 161 LEU b C +29587 O O . LEU T 160 ? 0.9223 1.0028 1.0232 -0.1063 0.0105 -0.0464 161 LEU b O +29588 C CB . LEU T 160 ? 0.7331 0.8101 0.8332 -0.1124 0.0050 -0.0492 161 LEU b CB +29589 C CG . LEU T 160 ? 0.9946 1.0763 1.1012 -0.1182 0.0066 -0.0520 161 LEU b CG +29590 C CD1 . LEU T 160 ? 1.1990 1.2762 1.3032 -0.1225 0.0125 -0.0511 161 LEU b CD1 +29591 C CD2 . LEU T 160 ? 1.1445 1.2231 1.2490 -0.1202 0.0033 -0.0530 161 LEU b CD2 +29592 N N . PHE T 161 ? 0.8325 0.9010 0.9211 -0.1021 0.0054 -0.0433 162 PHE b N +29593 C CA . PHE T 161 ? 0.7923 0.8624 0.8805 -0.0969 0.0044 -0.0421 162 PHE b CA +29594 C C . PHE T 161 ? 0.6999 0.7608 0.7787 -0.0938 0.0026 -0.0392 162 PHE b C +29595 O O . PHE T 161 ? 0.7481 0.8092 0.8259 -0.0906 -0.0016 -0.0391 162 PHE b O +29596 C CB . PHE T 161 ? 0.6974 0.7775 0.7936 -0.0941 0.0007 -0.0444 162 PHE b CB +29597 C CG . PHE T 161 ? 0.7648 0.8472 0.8614 -0.0889 0.0000 -0.0434 162 PHE b CG +29598 C CD1 . PHE T 161 ? 0.8889 0.9713 0.9854 -0.0886 0.0040 -0.0424 162 PHE b CD1 +29599 C CD2 . PHE T 161 ? 0.8178 0.9021 0.9145 -0.0844 -0.0046 -0.0434 162 PHE b CD2 +29600 C CE1 . PHE T 161 ? 0.8144 0.8985 0.9109 -0.0840 0.0034 -0.0416 162 PHE b CE1 +29601 C CE2 . PHE T 161 ? 0.9208 1.0068 1.0175 -0.0798 -0.0052 -0.0425 162 PHE b CE2 +29602 C CZ . PHE T 161 ? 0.8183 0.9042 0.9150 -0.0796 -0.0012 -0.0416 162 PHE b CZ +29603 N N . GLY T 162 ? 0.6841 0.7368 0.7558 -0.0948 0.0057 -0.0368 163 GLY b N +29604 C CA . GLY T 162 ? 0.7714 0.8149 0.8340 -0.0927 0.0043 -0.0342 163 GLY b CA +29605 C C . GLY T 162 ? 0.8152 0.8503 0.8713 -0.0960 0.0080 -0.0326 163 GLY b C +29606 O O . GLY T 162 ? 0.7581 0.7943 0.8167 -0.1000 0.0114 -0.0336 163 GLY b O +29607 N N . PRO T 163 ? 0.8433 0.8697 0.8909 -0.0942 0.0074 -0.0301 164 PRO b N +29608 C CA . PRO T 163 ? 0.6030 0.6211 0.6439 -0.0964 0.0111 -0.0282 164 PRO b CA +29609 C C . PRO T 163 ? 0.7296 0.7418 0.7667 -0.1001 0.0114 -0.0283 164 PRO b C +29610 O O . PRO T 163 ? 0.7350 0.7410 0.7674 -0.1026 0.0147 -0.0272 164 PRO b O +29611 C CB . PRO T 163 ? 0.8031 0.8153 0.8370 -0.0921 0.0099 -0.0255 164 PRO b CB +29612 C CG . PRO T 163 ? 0.7483 0.7623 0.7829 -0.0893 0.0052 -0.0259 164 PRO b CG +29613 C CD . PRO T 163 ? 0.6882 0.7123 0.7321 -0.0896 0.0037 -0.0287 164 PRO b CD +29614 N N . GLY T 164 ? 0.7106 0.7244 0.7494 -0.1004 0.0080 -0.0297 165 GLY b N +29615 C CA . GLY T 164 ? 0.6655 0.6729 0.6999 -0.1035 0.0080 -0.0297 165 GLY b CA +29616 C C . GLY T 164 ? 0.7421 0.7417 0.7685 -0.1008 0.0056 -0.0276 165 GLY b C +29617 O O . GLY T 164 ? 0.7296 0.7310 0.7559 -0.0968 0.0024 -0.0271 165 GLY b O +29618 N N . MET T 165 ? 0.6962 0.6872 0.7157 -0.1029 0.0072 -0.0264 166 MET b N +29619 C CA . MET T 165 ? 0.7681 0.7516 0.7800 -0.1004 0.0051 -0.0244 166 MET b CA +29620 C C . MET T 165 ? 0.7592 0.7333 0.7634 -0.1021 0.0082 -0.0226 166 MET b C +29621 O O . MET T 165 ? 0.8157 0.7887 0.8204 -0.1058 0.0117 -0.0230 166 MET b O +29622 C CB . MET T 165 ? 0.7525 0.7362 0.7648 -0.1008 0.0016 -0.0258 166 MET b CB +29623 C CG . MET T 165 ? 0.9526 0.9336 0.9646 -0.1057 0.0027 -0.0273 166 MET b CG +29624 S SD . MET T 165 ? 0.9132 0.8942 0.9253 -0.1059 -0.0018 -0.0290 166 MET b SD +29625 C CE . MET T 165 ? 0.8099 0.7788 0.8109 -0.1047 -0.0018 -0.0265 166 MET b CE +29626 N N . TRP T 166 ? 0.7440 0.7114 0.7412 -0.0993 0.0070 -0.0205 167 TRP b N +29627 C CA . TRP T 166 ? 0.7013 0.6594 0.6906 -0.1003 0.0095 -0.0186 167 TRP b CA +29628 C C . TRP T 166 ? 0.8157 0.7694 0.8030 -0.1044 0.0102 -0.0196 167 TRP b C +29629 O O . TRP T 166 ? 0.8646 0.8186 0.8525 -0.1046 0.0074 -0.0207 167 TRP b O +29630 C CB . TRP T 166 ? 0.6827 0.6352 0.6653 -0.0962 0.0077 -0.0163 167 TRP b CB +29631 C CG . TRP T 166 ? 0.7252 0.6687 0.6999 -0.0966 0.0101 -0.0142 167 TRP b CG +29632 C CD1 . TRP T 166 ? 0.7519 0.6877 0.7207 -0.0982 0.0105 -0.0137 167 TRP b CD1 +29633 C CD2 . TRP T 166 ? 0.7635 0.7046 0.7351 -0.0950 0.0124 -0.0123 167 TRP b CD2 +29634 N NE1 . TRP T 166 ? 0.7961 0.7249 0.7583 -0.0977 0.0129 -0.0116 167 TRP b NE1 +29635 C CE2 . TRP T 166 ? 0.7763 0.7081 0.7401 -0.0958 0.0140 -0.0108 167 TRP b CE2 +29636 C CE3 . TRP T 166 ? 0.7012 0.6468 0.6757 -0.0930 0.0131 -0.0119 167 TRP b CE3 +29637 C CZ2 . TRP T 166 ? 0.7173 0.6445 0.6761 -0.0946 0.0162 -0.0088 167 TRP b CZ2 +29638 C CZ3 . TRP T 166 ? 0.7068 0.6479 0.6765 -0.0919 0.0154 -0.0099 167 TRP b CZ3 +29639 C CH2 . TRP T 166 ? 0.6997 0.6316 0.6615 -0.0926 0.0168 -0.0084 167 TRP b CH2 +29640 N N . VAL T 167 ? 0.7335 0.6829 0.7184 -0.1077 0.0140 -0.0192 168 VAL b N +29641 C CA . VAL T 167 ? 0.7787 0.7225 0.7606 -0.1118 0.0153 -0.0199 168 VAL b CA +29642 C C . VAL T 167 ? 0.7497 0.6840 0.7233 -0.1123 0.0184 -0.0177 168 VAL b C +29643 O O . VAL T 167 ? 0.7936 0.7275 0.7659 -0.1109 0.0205 -0.0162 168 VAL b O +29644 C CB . VAL T 167 ? 0.7925 0.7421 0.7815 -0.1166 0.0170 -0.0225 168 VAL b CB +29645 C CG1 . VAL T 167 ? 0.7086 0.6673 0.7055 -0.1162 0.0136 -0.0249 168 VAL b CG1 +29646 C CG2 . VAL T 167 ? 0.8306 0.7833 0.8225 -0.1176 0.0208 -0.0222 168 VAL b CG2 +29647 N N . SER T 168 ? 0.8229 0.7494 0.7908 -0.1142 0.0187 -0.0174 169 SER b N +29648 C CA . SER T 168 ? 0.8571 0.7739 0.8166 -0.1146 0.0214 -0.0153 169 SER b CA +29649 C C . SER T 168 ? 0.9184 0.8289 0.8747 -0.1192 0.0231 -0.0161 169 SER b C +29650 O O . SER T 168 ? 0.8266 0.7402 0.7870 -0.1219 0.0219 -0.0183 169 SER b O +29651 C CB . SER T 168 ? 0.8175 0.7287 0.7701 -0.1100 0.0193 -0.0131 169 SER b CB +29652 O OG . SER T 168 ? 0.8184 0.7219 0.7639 -0.1096 0.0220 -0.0109 169 SER b OG +29653 N N . ASP T 169 ? 0.7878 0.6894 0.7365 -0.1199 0.0259 -0.0143 170 ASP b N +29654 C CA . ASP T 169 ? 0.8935 0.7868 0.8368 -0.1235 0.0275 -0.0145 170 ASP b CA +29655 C C . ASP T 169 ? 0.8146 0.7023 0.7525 -0.1210 0.0242 -0.0140 170 ASP b C +29656 O O . ASP T 169 ? 0.8295 0.7188 0.7668 -0.1165 0.0214 -0.0130 170 ASP b O +29657 C CB . ASP T 169 ? 0.7339 0.6194 0.6705 -0.1246 0.0315 -0.0126 170 ASP b CB +29658 C CG . ASP T 169 ? 0.7900 0.6696 0.7192 -0.1197 0.0307 -0.0099 170 ASP b CG +29659 O OD1 . ASP T 169 ? 0.8547 0.7388 0.7860 -0.1167 0.0304 -0.0091 170 ASP b OD1 +29660 O OD2 . ASP T 169 ? 0.8362 0.7070 0.7577 -0.1189 0.0302 -0.0088 170 ASP b OD2 +29661 N N . PRO T 170 ? 0.9207 0.8015 0.8544 -0.1239 0.0246 -0.0145 171 PRO b N +29662 C CA . PRO T 170 ? 0.8375 0.7131 0.7661 -0.1216 0.0215 -0.0142 171 PRO b CA +29663 C C . PRO T 170 ? 0.7692 0.6384 0.6902 -0.1169 0.0210 -0.0115 171 PRO b C +29664 O O . PRO T 170 ? 0.8010 0.6671 0.7185 -0.1142 0.0182 -0.0111 171 PRO b O +29665 C CB . PRO T 170 ? 0.8222 0.6906 0.7471 -0.1261 0.0231 -0.0152 171 PRO b CB +29666 C CG . PRO T 170 ? 0.9058 0.7794 0.8371 -0.1310 0.0257 -0.0169 171 PRO b CG +29667 C CD . PRO T 170 ? 0.7158 0.5938 0.6496 -0.1296 0.0278 -0.0158 171 PRO b CD +29668 N N . TYR T 171 ? 0.7680 0.6348 0.6860 -0.1159 0.0235 -0.0096 172 TYR b N +29669 C CA . TYR T 171 ? 0.8003 0.6606 0.7108 -0.1117 0.0230 -0.0072 172 TYR b CA +29670 C C . TYR T 171 ? 0.8432 0.7092 0.7563 -0.1076 0.0221 -0.0060 172 TYR b C +29671 O O . TYR T 171 ? 0.7971 0.6584 0.7045 -0.1042 0.0220 -0.0040 172 TYR b O +29672 C CB . TYR T 171 ? 0.8239 0.6744 0.7266 -0.1135 0.0265 -0.0057 172 TYR b CB +29673 C CG . TYR T 171 ? 0.8839 0.7270 0.7821 -0.1163 0.0267 -0.0065 172 TYR b CG +29674 C CD1 . TYR T 171 ? 0.8932 0.7306 0.7859 -0.1136 0.0242 -0.0059 172 TYR b CD1 +29675 C CD2 . TYR T 171 ? 0.8263 0.6686 0.7264 -0.1218 0.0292 -0.0081 172 TYR b CD2 +29676 C CE1 . TYR T 171 ? 0.9410 0.7716 0.8296 -0.1160 0.0242 -0.0067 172 TYR b CE1 +29677 C CE2 . TYR T 171 ? 0.8204 0.6557 0.7164 -0.1245 0.0292 -0.0089 172 TYR b CE2 +29678 C CZ . TYR T 171 ? 0.9524 0.7817 0.8425 -0.1215 0.0266 -0.0082 172 TYR b CZ +29679 O OH . TYR T 171 ? 0.9767 0.7988 0.8623 -0.1238 0.0265 -0.0090 172 TYR b OH +29680 N N . GLY T 172 ? 0.7894 0.6653 0.7110 -0.1078 0.0212 -0.0074 173 GLY b N +29681 C CA . GLY T 172 ? 0.7780 0.6597 0.7025 -0.1039 0.0200 -0.0065 173 GLY b CA +29682 C C . GLY T 172 ? 0.7640 0.6432 0.6854 -0.1031 0.0228 -0.0047 173 GLY b C +29683 O O . GLY T 172 ? 0.7535 0.6323 0.6725 -0.0992 0.0218 -0.0031 173 GLY b O +29684 N N . LEU T 173 ? 0.8423 0.7198 0.7635 -0.1069 0.0263 -0.0051 174 LEU b N +29685 C CA . LEU T 173 ? 0.7344 0.6089 0.6521 -0.1064 0.0293 -0.0035 174 LEU b CA +29686 C C . LEU T 173 ? 0.8522 0.7350 0.7769 -0.1072 0.0308 -0.0042 174 LEU b C +29687 O O . LEU T 173 ? 0.8386 0.7213 0.7616 -0.1050 0.0319 -0.0029 174 LEU b O +29688 C CB . LEU T 173 ? 0.8529 0.7184 0.7642 -0.1099 0.0326 -0.0029 174 LEU b CB +29689 C CG . LEU T 173 ? 0.8627 0.7186 0.7657 -0.1088 0.0315 -0.0019 174 LEU b CG +29690 C CD1 . LEU T 173 ? 0.9703 0.8173 0.8670 -0.1123 0.0352 -0.0013 174 LEU b CD1 +29691 C CD2 . LEU T 173 ? 0.8736 0.7266 0.7716 -0.1036 0.0297 0.0002 174 LEU b CD2 +29692 N N . THR T 174 ? 0.7876 0.6777 0.7201 -0.1101 0.0308 -0.0065 175 THR b N +29693 C CA . THR T 174 ? 0.7458 0.6432 0.6848 -0.1116 0.0331 -0.0074 175 THR b CA +29694 C C . THR T 174 ? 0.7894 0.6975 0.7377 -0.1107 0.0304 -0.0093 175 THR b C +29695 O O . THR T 174 ? 0.8883 0.8031 0.8435 -0.1134 0.0317 -0.0111 175 THR b O +29696 C CB . THR T 174 ? 0.9058 0.8013 0.8453 -0.1170 0.0369 -0.0084 175 THR b CB +29697 O OG1 . THR T 174 ? 0.9243 0.8218 0.8675 -0.1200 0.0355 -0.0105 175 THR b OG1 +29698 C CG2 . THR T 174 ? 0.8783 0.7625 0.8080 -0.1179 0.0395 -0.0066 175 THR b CG2 +29699 N N . GLY T 175 ? 0.7448 0.6545 0.6932 -0.1069 0.0266 -0.0089 176 GLY b N +29700 C CA . GLY T 175 ? 0.6558 0.5749 0.6123 -0.1059 0.0238 -0.0106 176 GLY b CA +29701 C C . GLY T 175 ? 0.7850 0.7117 0.7473 -0.1050 0.0249 -0.0110 176 GLY b C +29702 O O . GLY T 175 ? 0.7287 0.6534 0.6880 -0.1034 0.0267 -0.0094 176 GLY b O +29703 N N . SER T 176 ? 0.7050 0.6406 0.6757 -0.1058 0.0237 -0.0131 177 SER b N +29704 C CA . SER T 176 ? 0.7330 0.6768 0.7101 -0.1046 0.0242 -0.0137 177 SER b CA +29705 C C . SER T 176 ? 0.7988 0.7515 0.7842 -0.1049 0.0215 -0.0161 177 SER b C +29706 O O . SER T 176 ? 0.8084 0.7607 0.7946 -0.1066 0.0198 -0.0173 177 SER b O +29707 C CB . SER T 176 ? 0.7466 0.6908 0.7248 -0.1077 0.0288 -0.0140 177 SER b CB +29708 O OG . SER T 176 ? 0.8482 0.7947 0.8306 -0.1124 0.0302 -0.0160 177 SER b OG +29709 N N . VAL T 177 ? 0.7329 0.6934 0.7244 -0.1032 0.0213 -0.0168 178 VAL b N +29710 C CA . VAL T 177 ? 0.8301 0.7997 0.8300 -0.1032 0.0188 -0.0192 178 VAL b CA +29711 C C . VAL T 177 ? 0.8117 0.7863 0.8178 -0.1076 0.0216 -0.0213 178 VAL b C +29712 O O . VAL T 177 ? 0.8082 0.7839 0.8153 -0.1086 0.0251 -0.0210 178 VAL b O +29713 C CB . VAL T 177 ? 0.7704 0.7459 0.7737 -0.0988 0.0168 -0.0189 178 VAL b CB +29714 C CG1 . VAL T 177 ? 0.7339 0.7187 0.7456 -0.0986 0.0141 -0.0213 178 VAL b CG1 +29715 C CG2 . VAL T 177 ? 0.8071 0.7772 0.8040 -0.0949 0.0143 -0.0168 178 VAL b CG2 +29716 N N . GLN T 178 ? 0.7299 0.7078 0.7403 -0.1103 0.0202 -0.0234 179 GLN b N +29717 C CA . GLN T 178 ? 0.7802 0.7626 0.7965 -0.1149 0.0227 -0.0256 179 GLN b CA +29718 C C . GLN T 178 ? 0.7530 0.7440 0.7772 -0.1152 0.0193 -0.0282 179 GLN b C +29719 O O . GLN T 178 ? 0.7671 0.7569 0.7897 -0.1133 0.0155 -0.0283 179 GLN b O +29720 C CB . GLN T 178 ? 0.7249 0.6994 0.7360 -0.1194 0.0251 -0.0254 179 GLN b CB +29721 C CG . GLN T 178 ? 0.7849 0.7504 0.7878 -0.1195 0.0287 -0.0229 179 GLN b CG +29722 C CD . GLN T 178 ? 1.0918 1.0606 1.0975 -0.1206 0.0327 -0.0229 179 GLN b CD +29723 O OE1 . GLN T 178 ? 1.2740 1.2489 1.2865 -0.1240 0.0347 -0.0249 179 GLN b OE1 +29724 N NE2 . GLN T 178 ? 1.0861 1.0509 1.0867 -0.1177 0.0340 -0.0206 179 GLN b NE2 +29725 N N . PRO T 179 ? 0.8948 0.8944 0.9275 -0.1173 0.0205 -0.0305 180 PRO b N +29726 C CA . PRO T 179 ? 0.6686 0.6760 0.7088 -0.1182 0.0175 -0.0333 180 PRO b CA +29727 C C . PRO T 179 ? 0.7845 0.7872 0.8224 -0.1222 0.0171 -0.0342 180 PRO b C +29728 O O . PRO T 179 ? 0.8776 0.8732 0.9105 -0.1254 0.0203 -0.0333 180 PRO b O +29729 C CB . PRO T 179 ? 0.8059 0.8226 0.8551 -0.1203 0.0199 -0.0353 180 PRO b CB +29730 C CG . PRO T 179 ? 0.8338 0.8459 0.8793 -0.1221 0.0250 -0.0338 180 PRO b CG +29731 C CD . PRO T 179 ? 0.6860 0.6885 0.7217 -0.1190 0.0249 -0.0306 180 PRO b CD +29732 N N . VAL T 180 ? 0.7662 0.7723 0.8070 -0.1217 0.0130 -0.0359 181 VAL b N +29733 C CA . VAL T 180 ? 0.8332 0.8347 0.8715 -0.1251 0.0120 -0.0368 181 VAL b CA +29734 C C . VAL T 180 ? 0.7484 0.7590 0.7958 -0.1274 0.0100 -0.0403 181 VAL b C +29735 O O . VAL T 180 ? 0.8760 0.8943 0.9288 -0.1243 0.0067 -0.0414 181 VAL b O +29736 C CB . VAL T 180 ? 0.7637 0.7579 0.7943 -0.1218 0.0087 -0.0352 181 VAL b CB +29737 C CG1 . VAL T 180 ? 0.7318 0.7218 0.7602 -0.1251 0.0075 -0.0364 181 VAL b CG1 +29738 C CG2 . VAL T 180 ? 0.7376 0.7229 0.7594 -0.1197 0.0109 -0.0319 181 VAL b CG2 +29739 N N . ALA T 181 ? 0.8517 0.8616 0.9008 -0.1329 0.0118 -0.0420 182 ALA b N +29740 C CA . ALA T 181 ? 0.7762 0.7941 0.8336 -0.1359 0.0100 -0.0454 182 ALA b CA +29741 C C . ALA T 181 ? 0.6544 0.6692 0.7089 -0.1353 0.0056 -0.0461 182 ALA b C +29742 O O . ALA T 181 ? 0.8507 0.8555 0.8965 -0.1353 0.0057 -0.0444 182 ALA b O +29743 C CB . ALA T 181 ? 0.7271 0.7448 0.7871 -0.1423 0.0142 -0.0469 182 ALA b CB +29744 N N . PRO T 182 ? 0.7948 0.8178 0.8562 -0.1348 0.0018 -0.0487 183 PRO b N +29745 C CA . PRO T 182 ? 0.8417 0.8618 0.9003 -0.1345 -0.0023 -0.0496 183 PRO b CA +29746 C C . PRO T 182 ? 0.9118 0.9262 0.9679 -0.1402 -0.0007 -0.0507 183 PRO b C +29747 O O . PRO T 182 ? 0.9679 0.9852 1.0287 -0.1450 0.0024 -0.0523 183 PRO b O +29748 C CB . PRO T 182 ? 0.7882 0.8197 0.8559 -0.1332 -0.0063 -0.0525 183 PRO b CB +29749 C CG . PRO T 182 ? 0.7476 0.7880 0.8240 -0.1349 -0.0035 -0.0538 183 PRO b CG +29750 C CD . PRO T 182 ? 0.7605 0.7959 0.8324 -0.1342 0.0010 -0.0510 183 PRO b CD +29751 N N . GLU T 183 ? 0.8541 0.8600 0.9024 -0.1395 -0.0028 -0.0499 184 GLU b N +29752 C CA . GLU T 183 ? 0.7439 0.7437 0.7892 -0.1444 -0.0021 -0.0510 184 GLU b CA +29753 C C . GLU T 183 ? 0.8931 0.8973 0.9420 -0.1446 -0.0069 -0.0538 184 GLU b C +29754 O O . GLU T 183 ? 0.7712 0.7736 0.8165 -0.1404 -0.0107 -0.0531 184 GLU b O +29755 C CB . GLU T 183 ? 0.7202 0.7071 0.7540 -0.1436 -0.0008 -0.0482 184 GLU b CB +29756 C CG . GLU T 183 ? 0.8935 0.8732 0.9230 -0.1476 -0.0011 -0.0493 184 GLU b CG +29757 C CD . GLU T 183 ? 1.0013 0.9830 1.0356 -0.1542 0.0021 -0.0515 184 GLU b CD +29758 O OE1 . GLU T 183 ? 0.9116 0.8917 0.9456 -0.1563 0.0067 -0.0504 184 GLU b OE1 +29759 O OE2 . GLU T 183 ? 1.0615 1.0464 1.0999 -0.1574 0.0000 -0.0545 184 GLU b OE2 +29760 N N . TRP T 184 ? 0.9177 0.9280 0.9739 -0.1494 -0.0067 -0.0570 185 TRP b N +29761 C CA . TRP T 184 ? 0.8336 0.8498 0.8947 -0.1497 -0.0114 -0.0600 185 TRP b CA +29762 C C . TRP T 184 ? 0.9962 1.0051 1.0527 -0.1535 -0.0123 -0.0612 185 TRP b C +29763 O O . TRP T 184 ? 0.8458 0.8577 0.9043 -0.1533 -0.0166 -0.0635 185 TRP b O +29764 C CB . TRP T 184 ? 0.8491 0.8779 0.9223 -0.1523 -0.0112 -0.0632 185 TRP b CB +29765 C CG . TRP T 184 ? 0.9108 0.9479 0.9893 -0.1479 -0.0116 -0.0625 185 TRP b CG +29766 C CD1 . TRP T 184 ? 0.7805 0.8231 0.8644 -0.1488 -0.0079 -0.0624 185 TRP b CD1 +29767 C CD2 . TRP T 184 ? 0.7850 0.8255 0.8635 -0.1418 -0.0159 -0.0620 185 TRP b CD2 +29768 N NE1 . TRP T 184 ? 0.6977 0.7469 0.7851 -0.1436 -0.0097 -0.0618 185 TRP b NE1 +29769 C CE2 . TRP T 184 ? 0.7842 0.8323 0.8684 -0.1393 -0.0146 -0.0615 185 TRP b CE2 +29770 C CE3 . TRP T 184 ? 0.8644 0.9022 0.9386 -0.1383 -0.0207 -0.0618 185 TRP b CE3 +29771 C CZ2 . TRP T 184 ? 0.7892 0.8418 0.8746 -0.1334 -0.0180 -0.0609 185 TRP b CZ2 +29772 C CZ3 . TRP T 184 ? 0.7632 0.8056 0.8386 -0.1326 -0.0239 -0.0612 185 TRP b CZ3 +29773 C CH2 . TRP T 184 ? 0.8053 0.8550 0.8864 -0.1302 -0.0226 -0.0607 185 TRP b CH2 +29774 N N . GLY T 185 ? 0.7009 0.7001 0.7507 -0.1567 -0.0085 -0.0598 186 GLY b N +29775 C CA . GLY T 185 ? 0.9367 0.9274 0.9806 -0.1599 -0.0092 -0.0606 186 GLY b CA +29776 C C . GLY T 185 ? 0.9418 0.9241 0.9762 -0.1554 -0.0120 -0.0585 186 GLY b C +29777 O O . GLY T 185 ? 0.8604 0.8441 0.8934 -0.1498 -0.0139 -0.0567 186 GLY b O +29778 N N . PRO T 186 ? 1.0773 1.0503 1.1050 -0.1578 -0.0122 -0.0588 187 PRO b N +29779 C CA . PRO T 186 ? 1.0232 0.9879 1.0416 -0.1537 -0.0148 -0.0570 187 PRO b CA +29780 C C . PRO T 186 ? 0.9096 0.8663 0.9200 -0.1503 -0.0123 -0.0531 187 PRO b C +29781 O O . PRO T 186 ? 0.8775 0.8293 0.8814 -0.1458 -0.0145 -0.0513 187 PRO b O +29782 C CB . PRO T 186 ? 0.9827 0.9400 0.9968 -0.1581 -0.0152 -0.0586 187 PRO b CB +29783 C CG . PRO T 186 ? 0.8347 0.7923 0.8523 -0.1643 -0.0109 -0.0597 187 PRO b CG +29784 C CD . PRO T 186 ? 0.9554 0.9257 0.9839 -0.1645 -0.0104 -0.0610 187 PRO b CD +29785 N N . ASP T 187 ? 0.9090 0.8642 0.9194 -0.1522 -0.0076 -0.0516 188 ASP b N +29786 C CA . ASP T 187 ? 0.9354 0.8840 0.9385 -0.1483 -0.0057 -0.0480 188 ASP b CA +29787 C C . ASP T 187 ? 0.8908 0.8463 0.8972 -0.1429 -0.0072 -0.0467 188 ASP b C +29788 O O . ASP T 187 ? 0.8447 0.7955 0.8455 -0.1392 -0.0061 -0.0437 188 ASP b O +29789 C CB . ASP T 187 ? 0.7890 0.7328 0.7900 -0.1518 -0.0003 -0.0467 188 ASP b CB +29790 C CG . ASP T 187 ? 0.9512 0.8843 0.9420 -0.1490 0.0016 -0.0431 188 ASP b CG +29791 O OD1 . ASP T 187 ? 0.8407 0.7663 0.8242 -0.1471 -0.0004 -0.0424 188 ASP b OD1 +29792 O OD2 . ASP T 187 ? 0.8521 0.7842 0.8420 -0.1486 0.0051 -0.0412 188 ASP b OD2 +29793 N N . GLY T 188 ? 0.8256 0.7921 0.8408 -0.1422 -0.0098 -0.0488 189 GLY b N +29794 C CA . GLY T 188 ? 0.8715 0.8440 0.8892 -0.1368 -0.0120 -0.0478 189 GLY b CA +29795 C C . GLY T 188 ? 0.8496 0.8173 0.8607 -0.1319 -0.0155 -0.0463 189 GLY b C +29796 O O . GLY T 188 ? 0.9071 0.8772 0.9179 -0.1271 -0.0166 -0.0447 189 GLY b O +29797 N N . PHE T 189 ? 0.8474 0.8082 0.8529 -0.1331 -0.0170 -0.0469 190 PHE b N +29798 C CA . PHE T 189 ? 0.8055 0.7611 0.8042 -0.1288 -0.0201 -0.0456 190 PHE b CA +29799 C C . PHE T 189 ? 0.8142 0.7585 0.8030 -0.1277 -0.0178 -0.0427 190 PHE b C +29800 O O . PHE T 189 ? 0.8277 0.7669 0.8103 -0.1242 -0.0199 -0.0415 190 PHE b O +29801 C CB . PHE T 189 ? 0.7729 0.7287 0.7720 -0.1304 -0.0237 -0.0483 190 PHE b CB +29802 C CG . PHE T 189 ? 0.8297 0.7968 0.8385 -0.1312 -0.0264 -0.0513 190 PHE b CG +29803 C CD1 . PHE T 189 ? 0.7007 0.6741 0.7122 -0.1265 -0.0298 -0.0512 190 PHE b CD1 +29804 C CD2 . PHE T 189 ? 0.8708 0.8425 0.8861 -0.1365 -0.0254 -0.0540 190 PHE b CD2 +29805 C CE1 . PHE T 189 ? 0.8820 0.8658 0.9023 -0.1268 -0.0323 -0.0539 190 PHE b CE1 +29806 C CE2 . PHE T 189 ? 0.8950 0.8777 0.9196 -0.1370 -0.0279 -0.0568 190 PHE b CE2 +29807 C CZ . PHE T 189 ? 0.7339 0.7226 0.7609 -0.1320 -0.0315 -0.0567 190 PHE b CZ +29808 N N . ASN T 190 ? 0.7374 0.6778 0.7247 -0.1306 -0.0135 -0.0417 191 ASN b N +29809 C CA . ASN T 190 ? 0.7686 0.6991 0.7472 -0.1291 -0.0110 -0.0387 191 ASN b CA +29810 C C . ASN T 190 ? 0.8829 0.8156 0.8609 -0.1238 -0.0112 -0.0362 191 ASN b C +29811 O O . ASN T 190 ? 0.7929 0.7326 0.7768 -0.1235 -0.0100 -0.0361 191 ASN b O +29812 C CB . ASN T 190 ? 0.7404 0.6676 0.7186 -0.1337 -0.0064 -0.0385 191 ASN b CB +29813 C CG . ASN T 190 ? 0.8455 0.7620 0.8145 -0.1325 -0.0036 -0.0355 191 ASN b CG +29814 O OD1 . ASN T 190 ? 0.9051 0.8177 0.8685 -0.1280 -0.0049 -0.0334 191 ASN b OD1 +29815 N ND2 . ASN T 190 ? 0.8493 0.7610 0.8164 -0.1367 0.0002 -0.0354 191 ASN b ND2 +29816 N N . PRO T 191 ? 0.7893 0.7164 0.7604 -0.1196 -0.0126 -0.0342 192 PRO b N +29817 C CA . PRO T 191 ? 0.7834 0.7128 0.7542 -0.1147 -0.0129 -0.0319 192 PRO b CA +29818 C C . PRO T 191 ? 0.8644 0.7925 0.8346 -0.1150 -0.0089 -0.0300 192 PRO b C +29819 O O . PRO T 191 ? 0.7508 0.6830 0.7230 -0.1118 -0.0088 -0.0286 192 PRO b O +29820 C CB . PRO T 191 ? 0.6842 0.6066 0.6472 -0.1110 -0.0147 -0.0303 192 PRO b CB +29821 C CG . PRO T 191 ? 0.7916 0.7059 0.7492 -0.1140 -0.0143 -0.0311 192 PRO b CG +29822 C CD . PRO T 191 ? 0.7556 0.6743 0.7192 -0.1191 -0.0141 -0.0340 192 PRO b CD +29823 N N . TYR T 192 ? 0.6997 0.6222 0.6672 -0.1188 -0.0056 -0.0298 193 TYR b N +29824 C CA . TYR T 192 ? 0.7290 0.6495 0.6952 -0.1193 -0.0018 -0.0280 193 TYR b CA +29825 C C . TYR T 192 ? 0.8934 0.8209 0.8673 -0.1231 0.0005 -0.0296 193 TYR b C +29826 O O . TYR T 192 ? 0.8132 0.7391 0.7863 -0.1242 0.0041 -0.0284 193 TYR b O +29827 C CB . TYR T 192 ? 0.7559 0.6651 0.7134 -0.1207 0.0007 -0.0265 193 TYR b CB +29828 C CG . TYR T 192 ? 0.8080 0.7106 0.7579 -0.1166 -0.0013 -0.0248 193 TYR b CG +29829 C CD1 . TYR T 192 ? 0.8073 0.7083 0.7538 -0.1122 -0.0010 -0.0222 193 TYR b CD1 +29830 C CD2 . TYR T 192 ? 0.8271 0.7253 0.7735 -0.1170 -0.0035 -0.0258 193 TYR b CD2 +29831 C CE1 . TYR T 192 ? 0.7017 0.5972 0.6418 -0.1085 -0.0028 -0.0207 193 TYR b CE1 +29832 C CE2 . TYR T 192 ? 0.8255 0.7179 0.7651 -0.1131 -0.0053 -0.0243 193 TYR b CE2 +29833 C CZ . TYR T 192 ? 0.9300 0.8213 0.8667 -0.1089 -0.0048 -0.0217 193 TYR b CZ +29834 O OH . TYR T 192 ? 0.7912 0.6773 0.7217 -0.1051 -0.0065 -0.0203 193 TYR b OH +29835 N N . ASN T 193 ? 0.7743 0.7095 0.7556 -0.1251 -0.0014 -0.0324 194 ASN b N +29836 C CA . ASN T 193 ? 0.9191 0.8616 0.9083 -0.1286 0.0008 -0.0340 194 ASN b CA +29837 C C . ASN T 193 ? 0.7741 0.7262 0.7698 -0.1251 -0.0006 -0.0340 194 ASN b C +29838 O O . ASN T 193 ? 0.8212 0.7792 0.8209 -0.1233 -0.0044 -0.0355 194 ASN b O +29839 C CB . ASN T 193 ? 0.8397 0.7854 0.8337 -0.1333 0.0000 -0.0372 194 ASN b CB +29840 C CG . ASN T 193 ? 0.8543 0.8065 0.8559 -0.1375 0.0030 -0.0388 194 ASN b CG +29841 O OD1 . ASN T 193 ? 0.9436 0.9023 0.9500 -0.1360 0.0041 -0.0384 194 ASN b OD1 +29842 N ND2 . ASN T 193 ? 1.0191 0.9693 1.0215 -0.1429 0.0046 -0.0406 194 ASN b ND2 +29843 N N . PRO T 194 ? 0.7679 0.7215 0.7644 -0.1240 0.0021 -0.0325 195 PRO b N +29844 C CA . PRO T 194 ? 0.7567 0.7189 0.7590 -0.1205 0.0007 -0.0325 195 PRO b CA +29845 C C . PRO T 194 ? 0.7682 0.7410 0.7805 -0.1226 -0.0003 -0.0355 195 PRO b C +29846 O O . PRO T 194 ? 0.7409 0.7210 0.7581 -0.1194 -0.0030 -0.0361 195 PRO b O +29847 C CB . PRO T 194 ? 0.7545 0.7149 0.7549 -0.1197 0.0045 -0.0303 195 PRO b CB +29848 C CG . PRO T 194 ? 0.7382 0.6912 0.7341 -0.1239 0.0081 -0.0299 195 PRO b CG +29849 C CD . PRO T 194 ? 0.7444 0.6909 0.7355 -0.1253 0.0064 -0.0304 195 PRO b CD +29850 N N . GLY T 195 ? 0.7716 0.7453 0.7871 -0.1279 0.0017 -0.0374 196 GLY b N +29851 C CA . GLY T 195 ? 0.8058 0.7897 0.8311 -0.1301 0.0005 -0.0406 196 GLY b CA +29852 C C . GLY T 195 ? 0.7213 0.7089 0.7488 -0.1283 -0.0046 -0.0423 196 GLY b C +29853 O O . GLY T 195 ? 0.7556 0.7529 0.7910 -0.1275 -0.0068 -0.0443 196 GLY b O +29854 N N . GLY T 196 ? 0.7807 0.7607 0.8011 -0.1273 -0.0066 -0.0415 197 GLY b N +29855 C CA . GLY T 196 ? 0.7904 0.7731 0.8118 -0.1252 -0.0115 -0.0429 197 GLY b CA +29856 C C . GLY T 196 ? 0.7641 0.7515 0.7869 -0.1195 -0.0142 -0.0419 197 GLY b C +29857 O O . GLY T 196 ? 0.8446 0.8384 0.8719 -0.1179 -0.0178 -0.0437 197 GLY b O +29858 N N . VAL T 197 ? 0.8006 0.7845 0.8191 -0.1164 -0.0124 -0.0390 198 VAL b N +29859 C CA . VAL T 197 ? 0.6774 0.6655 0.6972 -0.1111 -0.0146 -0.0379 198 VAL b CA +29860 C C . VAL T 197 ? 0.7437 0.7429 0.7732 -0.1111 -0.0151 -0.0399 198 VAL b C +29861 O O . VAL T 197 ? 0.7425 0.7474 0.7754 -0.1080 -0.0186 -0.0407 198 VAL b O +29862 C CB . VAL T 197 ? 0.8104 0.7930 0.8244 -0.1084 -0.0121 -0.0347 198 VAL b CB +29863 C CG1 . VAL T 197 ? 0.7622 0.7495 0.7780 -0.1032 -0.0142 -0.0336 198 VAL b CG1 +29864 C CG2 . VAL T 197 ? 0.7033 0.6752 0.7078 -0.1080 -0.0119 -0.0328 198 VAL b CG2 +29865 N N . VAL T 198 ? 0.7799 0.7822 0.8139 -0.1146 -0.0116 -0.0407 199 VAL b N +29866 C CA . VAL T 198 ? 0.6879 0.7010 0.7315 -0.1149 -0.0117 -0.0427 199 VAL b CA +29867 C C . VAL T 198 ? 0.8310 0.8505 0.8805 -0.1165 -0.0152 -0.0459 199 VAL b C +29868 O O . VAL T 198 ? 0.7611 0.7883 0.8160 -0.1137 -0.0183 -0.0472 199 VAL b O +29869 C CB . VAL T 198 ? 0.7124 0.7268 0.7591 -0.1187 -0.0068 -0.0429 199 VAL b CB +29870 C CG1 . VAL T 198 ? 0.7674 0.7932 0.8242 -0.1188 -0.0067 -0.0449 199 VAL b CG1 +29871 C CG2 . VAL T 198 ? 0.6656 0.6728 0.7054 -0.1171 -0.0036 -0.0396 199 VAL b CG2 +29872 N N . ALA T 199 ? 0.8132 0.8292 0.8616 -0.1209 -0.0149 -0.0474 200 ALA b N +29873 C CA . ALA T 199 ? 0.7190 0.7408 0.7729 -0.1228 -0.0182 -0.0506 200 ALA b CA +29874 C C . ALA T 199 ? 0.6576 0.6794 0.7091 -0.1185 -0.0232 -0.0506 200 ALA b C +29875 O O . ALA T 199 ? 0.7188 0.7486 0.7766 -0.1176 -0.0266 -0.0529 200 ALA b O +29876 C CB . ALA T 199 ? 0.7783 0.7950 0.8302 -0.1284 -0.0168 -0.0519 200 ALA b CB +29877 N N . HIS T 200 ? 0.7320 0.7450 0.7745 -0.1157 -0.0238 -0.0481 201 HIS b N +29878 C CA . HIS T 200 ? 0.6577 0.6702 0.6973 -0.1114 -0.0283 -0.0478 201 HIS b CA +29879 C C . HIS T 200 ? 0.7193 0.7404 0.7645 -0.1073 -0.0305 -0.0481 201 HIS b C +29880 O O . HIS T 200 ? 0.7437 0.7697 0.7920 -0.1056 -0.0346 -0.0499 201 HIS b O +29881 C CB . HIS T 200 ? 0.6524 0.6549 0.6820 -0.1085 -0.0280 -0.0447 201 HIS b CB +29882 C CG . HIS T 200 ? 0.6685 0.6714 0.6957 -0.1033 -0.0319 -0.0439 201 HIS b CG +29883 N ND1 . HIS T 200 ? 0.7524 0.7534 0.7768 -0.1027 -0.0356 -0.0450 201 HIS b ND1 +29884 C CD2 . HIS T 200 ? 0.7078 0.7131 0.7351 -0.0987 -0.0328 -0.0423 201 HIS b CD2 +29885 C CE1 . HIS T 200 ? 0.8163 0.8183 0.8391 -0.0978 -0.0384 -0.0440 201 HIS b CE1 +29886 N NE2 . HIS T 200 ? 0.6751 0.6798 0.6996 -0.0954 -0.0368 -0.0424 201 HIS b NE2 +29887 N N . HIS T 201 ? 0.6958 0.7184 0.7421 -0.1055 -0.0279 -0.0463 202 HIS b N +29888 C CA . HIS T 201 ? 0.7512 0.7804 0.8013 -0.1010 -0.0299 -0.0462 202 HIS b CA +29889 C C . HIS T 201 ? 0.6358 0.6761 0.6962 -0.1022 -0.0311 -0.0492 202 HIS b C +29890 O O . HIS T 201 ? 0.7727 0.8188 0.8364 -0.0987 -0.0345 -0.0501 202 HIS b O +29891 C CB . HIS T 201 ? 0.5968 0.6239 0.6446 -0.0986 -0.0269 -0.0434 202 HIS b CB +29892 C CG . HIS T 201 ? 0.6996 0.7177 0.7381 -0.0956 -0.0270 -0.0404 202 HIS b CG +29893 N ND1 . HIS T 201 ? 0.6463 0.6557 0.6782 -0.0974 -0.0241 -0.0385 202 HIS b ND1 +29894 C CD2 . HIS T 201 ? 0.6011 0.6175 0.6359 -0.0910 -0.0299 -0.0390 202 HIS b CD2 +29895 C CE1 . HIS T 201 ? 0.6837 0.6869 0.7085 -0.0940 -0.0252 -0.0362 202 HIS b CE1 +29896 N NE2 . HIS T 201 ? 0.7055 0.7129 0.7320 -0.0901 -0.0286 -0.0364 202 HIS b NE2 +29897 N N . ILE T 202 ? 0.6842 0.7274 0.7495 -0.1071 -0.0282 -0.0509 203 ILE b N +29898 C CA . ILE T 202 ? 0.8392 0.8931 0.9147 -0.1088 -0.0293 -0.0542 203 ILE b CA +29899 C C . ILE T 202 ? 0.7709 0.8274 0.8480 -0.1091 -0.0340 -0.0567 203 ILE b C +29900 O O . ILE T 202 ? 0.7128 0.7770 0.7953 -0.1065 -0.0375 -0.0584 203 ILE b O +29901 C CB . ILE T 202 ? 0.8392 0.8947 0.9189 -0.1145 -0.0248 -0.0553 203 ILE b CB +29902 C CG1 . ILE T 202 ? 0.7287 0.7840 0.8085 -0.1137 -0.0205 -0.0533 203 ILE b CG1 +29903 C CG2 . ILE T 202 ? 0.8236 0.8897 0.9137 -0.1173 -0.0262 -0.0592 203 ILE b CG2 +29904 C CD1 . ILE T 202 ? 0.6427 0.6957 0.7230 -0.1191 -0.0154 -0.0534 203 ILE b CD1 +29905 N N . ALA T 203 ? 0.6712 0.7206 0.7430 -0.1119 -0.0343 -0.0569 204 ALA b N +29906 C CA . ALA T 203 ? 0.7361 0.7872 0.8091 -0.1128 -0.0385 -0.0594 204 ALA b CA +29907 C C . ALA T 203 ? 0.7337 0.7836 0.8026 -0.1074 -0.0431 -0.0586 204 ALA b C +29908 O O . ALA T 203 ? 0.8386 0.8950 0.9119 -0.1059 -0.0472 -0.0608 204 ALA b O +29909 C CB . ALA T 203 ? 0.7370 0.7801 0.8049 -0.1174 -0.0372 -0.0597 204 ALA b CB +29910 N N . ALA T 204 ? 0.7544 0.7959 0.8147 -0.1043 -0.0424 -0.0554 205 ALA b N +29911 C CA . ALA T 204 ? 0.7585 0.7984 0.8144 -0.0992 -0.0464 -0.0544 205 ALA b CA +29912 C C . ALA T 204 ? 0.7123 0.7602 0.7735 -0.0950 -0.0481 -0.0545 205 ALA b C +29913 O O . ALA T 204 ? 0.7495 0.7998 0.8106 -0.0916 -0.0523 -0.0552 205 ALA b O +29914 C CB . ALA T 204 ? 0.7681 0.7976 0.8141 -0.0971 -0.0450 -0.0510 205 ALA b CB +29915 N N . GLY T 205 ? 0.7184 0.7703 0.7841 -0.0952 -0.0449 -0.0539 206 GLY b N +29916 C CA . GLY T 205 ? 0.7678 0.8275 0.8389 -0.0913 -0.0464 -0.0542 206 GLY b CA +29917 C C . GLY T 205 ? 0.6770 0.7464 0.7564 -0.0917 -0.0500 -0.0578 206 GLY b C +29918 O O . GLY T 205 ? 0.8103 0.8839 0.8912 -0.0875 -0.0536 -0.0582 206 GLY b O +29919 N N . ILE T 206 ? 0.8311 0.9039 0.9156 -0.0968 -0.0491 -0.0604 207 ILE b N +29920 C CA . ILE T 206 ? 0.7254 0.8077 0.8182 -0.0978 -0.0524 -0.0641 207 ILE b CA +29921 C C . ILE T 206 ? 0.7060 0.7862 0.7950 -0.0958 -0.0575 -0.0650 207 ILE b C +29922 O O . ILE T 206 ? 0.7485 0.8351 0.8413 -0.0927 -0.0616 -0.0666 207 ILE b O +29923 C CB . ILE T 206 ? 1.1061 1.1916 1.2048 -0.1042 -0.0497 -0.0665 207 ILE b CB +29924 C CG1 . ILE T 206 ? 0.7865 0.8771 0.8911 -0.1054 -0.0453 -0.0662 207 ILE b CG1 +29925 C CG2 . ILE T 206 ? 0.7323 0.8254 0.8377 -0.1060 -0.0538 -0.0705 207 ILE b CG2 +29926 C CD1 . ILE T 206 ? 0.9142 1.0043 1.0215 -0.1118 -0.0412 -0.0673 207 ILE b CD1 +29927 N N . VAL T 207 ? 0.7123 0.7834 0.7935 -0.0976 -0.0574 -0.0640 208 VAL b N +29928 C CA . VAL T 207 ? 0.7912 0.8590 0.8675 -0.0955 -0.0620 -0.0646 208 VAL b CA +29929 C C . VAL T 207 ? 0.6904 0.7574 0.7629 -0.0891 -0.0645 -0.0626 208 VAL b C +29930 O O . VAL T 207 ? 0.8128 0.8829 0.8859 -0.0863 -0.0691 -0.0639 208 VAL b O +29931 C CB . VAL T 207 ? 0.7485 0.8056 0.8163 -0.0981 -0.0608 -0.0634 208 VAL b CB +29932 C CG1 . VAL T 207 ? 0.7471 0.7994 0.8081 -0.0950 -0.0649 -0.0632 208 VAL b CG1 +29933 C CG2 . VAL T 207 ? 0.7486 0.8070 0.8203 -0.1043 -0.0596 -0.0661 208 VAL b CG2 +29934 N N . GLY T 208 ? 0.7777 0.8411 0.8468 -0.0867 -0.0616 -0.0595 209 GLY b N +29935 C CA . GLY T 208 ? 0.6884 0.7512 0.7542 -0.0809 -0.0636 -0.0575 209 GLY b CA +29936 C C . GLY T 208 ? 0.7558 0.8284 0.8292 -0.0779 -0.0660 -0.0591 209 GLY b C +29937 O O . GLY T 208 ? 0.7834 0.8566 0.8547 -0.0733 -0.0696 -0.0588 209 GLY b O +29938 N N . ILE T 209 ? 0.7923 0.8728 0.8744 -0.0803 -0.0641 -0.0609 210 ILE b N +29939 C CA . ILE T 209 ? 0.7348 0.8254 0.8249 -0.0777 -0.0666 -0.0629 210 ILE b CA +29940 C C . ILE T 209 ? 0.8289 0.9242 0.9219 -0.0778 -0.0717 -0.0661 210 ILE b C +29941 O O . ILE T 209 ? 0.7790 0.8779 0.8729 -0.0735 -0.0757 -0.0667 210 ILE b O +29942 C CB . ILE T 209 ? 0.7906 0.8887 0.8895 -0.0806 -0.0631 -0.0642 210 ILE b CB +29943 C CG1 . ILE T 209 ? 0.8430 0.9368 0.9387 -0.0796 -0.0586 -0.0610 210 ILE b CG1 +29944 C CG2 . ILE T 209 ? 0.7577 0.8670 0.8655 -0.0782 -0.0660 -0.0667 210 ILE b CG2 +29945 C CD1 . ILE T 209 ? 0.7606 0.8578 0.8621 -0.0840 -0.0538 -0.0617 210 ILE b CD1 +29946 N N . ILE T 210 ? 0.7637 0.8583 0.8577 -0.0828 -0.0716 -0.0681 211 ILE b N +29947 C CA . ILE T 210 ? 0.7999 0.8990 0.8970 -0.0833 -0.0764 -0.0713 211 ILE b CA +29948 C C . ILE T 210 ? 0.7080 0.8010 0.7967 -0.0791 -0.0805 -0.0702 211 ILE b C +29949 O O . ILE T 210 ? 0.7261 0.8237 0.8166 -0.0756 -0.0850 -0.0716 211 ILE b O +29950 C CB . ILE T 210 ? 0.7841 0.8825 0.8831 -0.0897 -0.0752 -0.0735 211 ILE b CB +29951 C CG1 . ILE T 210 ? 0.7072 0.8133 0.8158 -0.0937 -0.0717 -0.0752 211 ILE b CG1 +29952 C CG2 . ILE T 210 ? 0.8812 0.9824 0.9815 -0.0902 -0.0804 -0.0766 211 ILE b CG2 +29953 C CD1 . ILE T 210 ? 0.7539 0.8604 0.8655 -0.1002 -0.0705 -0.0777 211 ILE b CD1 +29954 N N . ALA T 211 ? 0.7983 0.8806 0.8774 -0.0794 -0.0789 -0.0676 212 ALA b N +29955 C CA . ALA T 211 ? 0.6596 0.7354 0.7301 -0.0753 -0.0821 -0.0661 212 ALA b CA +29956 C C . ALA T 211 ? 0.7934 0.8713 0.8633 -0.0694 -0.0837 -0.0645 212 ALA b C +29957 O O . ALA T 211 ? 0.8669 0.9441 0.9334 -0.0656 -0.0879 -0.0647 212 ALA b O +29958 C CB . ALA T 211 ? 0.8187 0.8832 0.8798 -0.0764 -0.0793 -0.0633 212 ALA b CB +29959 N N . GLY T 212 ? 0.7103 0.7903 0.7830 -0.0684 -0.0804 -0.0629 213 GLY b N +29960 C CA . GLY T 212 ? 0.7293 0.8113 0.8017 -0.0629 -0.0818 -0.0614 213 GLY b CA +29961 C C . GLY T 212 ? 0.7197 0.8111 0.7989 -0.0605 -0.0862 -0.0643 213 GLY b C +29962 O O . GLY T 212 ? 0.7597 0.8504 0.8355 -0.0558 -0.0898 -0.0639 213 GLY b O +29963 N N . LEU T 213 ? 0.7891 0.8894 0.8779 -0.0636 -0.0859 -0.0673 214 LEU b N +29964 C CA . LEU T 213 ? 0.7486 0.8584 0.8445 -0.0617 -0.0903 -0.0704 214 LEU b CA +29965 C C . LEU T 213 ? 0.8809 0.9886 0.9727 -0.0607 -0.0954 -0.0719 214 LEU b C +29966 O O . LEU T 213 ? 0.7318 0.8427 0.8238 -0.0562 -0.0998 -0.0727 214 LEU b O +29967 C CB . LEU T 213 ? 0.8305 0.9497 0.9372 -0.0661 -0.0888 -0.0736 214 LEU b CB +29968 C CG . LEU T 213 ? 0.9225 1.0451 1.0340 -0.0665 -0.0842 -0.0724 214 LEU b CG +29969 C CD1 . LEU T 213 ? 1.0059 1.1382 1.1284 -0.0709 -0.0827 -0.0756 214 LEU b CD1 +29970 C CD2 . LEU T 213 ? 0.8843 1.0096 0.9962 -0.0604 -0.0857 -0.0712 214 LEU b CD2 +29971 N N . PHE T 214 ? 0.7713 0.8734 0.8591 -0.0646 -0.0950 -0.0723 215 PHE b N +29972 C CA . PHE T 214 ? 0.8362 0.9353 0.9191 -0.0637 -0.0996 -0.0735 215 PHE b CA +29973 C C . PHE T 214 ? 0.7680 0.8607 0.8420 -0.0580 -0.1017 -0.0708 215 PHE b C +29974 O O . PHE T 214 ? 0.9144 1.0093 0.9877 -0.0544 -0.1065 -0.0720 215 PHE b O +29975 C CB . PHE T 214 ? 0.6466 0.7391 0.7253 -0.0686 -0.0982 -0.0738 215 PHE b CB +29976 C CG . PHE T 214 ? 0.7841 0.8709 0.8552 -0.0671 -0.1022 -0.0742 215 PHE b CG +29977 C CD1 . PHE T 214 ? 0.8085 0.9007 0.8833 -0.0675 -0.1071 -0.0777 215 PHE b CD1 +29978 C CD2 . PHE T 214 ? 0.7484 0.8246 0.8089 -0.0652 -0.1013 -0.0711 215 PHE b CD2 +29979 C CE1 . PHE T 214 ? 0.7417 0.8286 0.8093 -0.0660 -0.1109 -0.0781 215 PHE b CE1 +29980 C CE2 . PHE T 214 ? 0.8491 0.9202 0.9026 -0.0637 -0.1050 -0.0715 215 PHE b CE2 +29981 C CZ . PHE T 214 ? 0.7943 0.8705 0.8511 -0.0640 -0.1097 -0.0749 215 PHE b CZ +29982 N N . HIS T 215 ? 0.8626 0.9471 0.9297 -0.0570 -0.0981 -0.0672 216 HIS b N +29983 C CA . HIS T 215 ? 0.8220 0.8997 0.8802 -0.0521 -0.0998 -0.0645 216 HIS b CA +29984 C C . HIS T 215 ? 0.7880 0.8704 0.8485 -0.0468 -0.1015 -0.0639 216 HIS b C +29985 O O . HIS T 215 ? 0.8461 0.9242 0.9001 -0.0423 -0.1038 -0.0624 216 HIS b O +29986 C CB . HIS T 215 ? 0.7872 0.8552 0.8377 -0.0527 -0.0955 -0.0609 216 HIS b CB +29987 C CG . HIS T 215 ? 0.6261 0.6865 0.6700 -0.0555 -0.0953 -0.0609 216 HIS b CG +29988 N ND1 . HIS T 215 ? 0.6832 0.7377 0.7192 -0.0530 -0.0984 -0.0603 216 HIS b ND1 +29989 C CD2 . HIS T 215 ? 0.6435 0.7010 0.6874 -0.0606 -0.0925 -0.0613 216 HIS b CD2 +29990 C CE1 . HIS T 215 ? 0.7407 0.7892 0.7722 -0.0562 -0.0974 -0.0604 216 HIS b CE1 +29991 N NE2 . HIS T 215 ? 0.6738 0.7238 0.7099 -0.0609 -0.0939 -0.0610 216 HIS b NE2 +29992 N N . ILE T 216 ? 0.7744 0.8655 0.8440 -0.0472 -0.1005 -0.0653 217 ILE b N +29993 C CA . ILE T 216 ? 0.7943 0.8905 0.8665 -0.0421 -0.1028 -0.0653 217 ILE b CA +29994 C C . ILE T 216 ? 0.7585 0.8612 0.8345 -0.0404 -0.1085 -0.0686 217 ILE b C +29995 O O . ILE T 216 ? 0.7867 0.8893 0.8598 -0.0353 -0.1120 -0.0682 217 ILE b O +29996 C CB . ILE T 216 ? 0.8341 0.9365 0.9140 -0.0427 -0.0993 -0.0652 217 ILE b CB +29997 C CG1 . ILE T 216 ? 0.7574 0.8525 0.8321 -0.0429 -0.0944 -0.0615 217 ILE b CG1 +29998 C CG2 . ILE T 216 ? 0.8415 0.9508 0.9258 -0.0378 -0.1022 -0.0660 217 ILE b CG2 +29999 C CD1 . ILE T 216 ? 0.7656 0.8658 0.8475 -0.0449 -0.0901 -0.0615 217 ILE b CD1 +30000 N N . LEU T 217 ? 0.7982 0.9065 0.8805 -0.0445 -0.1095 -0.0719 218 LEU b N +30001 C CA . LEU T 217 ? 0.7536 0.8699 0.8413 -0.0432 -0.1148 -0.0754 218 LEU b CA +30002 C C . LEU T 217 ? 0.9307 1.0421 1.0117 -0.0426 -0.1191 -0.0763 218 LEU b C +30003 O O . LEU T 217 ? 1.0158 1.1319 1.0985 -0.0396 -0.1242 -0.0784 218 LEU b O +30004 C CB . LEU T 217 ? 0.9189 1.0448 1.0177 -0.0480 -0.1139 -0.0789 218 LEU b CB +30005 C CG . LEU T 217 ? 0.8196 0.9512 0.9257 -0.0484 -0.1099 -0.0784 218 LEU b CG +30006 C CD1 . LEU T 217 ? 0.8151 0.9533 0.9303 -0.0545 -0.1074 -0.0810 218 LEU b CD1 +30007 C CD2 . LEU T 217 ? 0.8014 0.9406 0.9123 -0.0431 -0.1129 -0.0792 218 LEU b CD2 +30008 N N . VAL T 218 ? 0.8943 0.9967 0.9678 -0.0452 -0.1174 -0.0749 219 VAL b N +30009 C CA . VAL T 218 ? 0.8895 0.9875 0.9570 -0.0453 -0.1212 -0.0760 219 VAL b CA +30010 C C . VAL T 218 ? 0.7938 0.8812 0.8494 -0.0415 -0.1213 -0.0726 219 VAL b C +30011 O O . VAL T 218 ? 0.9081 0.9881 0.9585 -0.0426 -0.1171 -0.0696 219 VAL b O +30012 C CB . VAL T 218 ? 0.9691 1.0653 1.0375 -0.0516 -0.1196 -0.0776 219 VAL b CB +30013 C CG1 . VAL T 218 ? 0.8055 0.8962 0.8668 -0.0515 -0.1234 -0.0787 219 VAL b CG1 +30014 C CG2 . VAL T 218 ? 0.7997 0.9066 0.8800 -0.0555 -0.1195 -0.0812 219 VAL b CG2 +30015 N N . ARG T 219 ? 0.7724 0.8591 0.8239 -0.0372 -0.1262 -0.0731 220 ARG b N +30016 C CA . ARG T 219 ? 0.8026 0.8796 0.8428 -0.0334 -0.1266 -0.0700 220 ARG b CA +30017 C C . ARG T 219 ? 0.8326 0.9011 0.8652 -0.0362 -0.1261 -0.0696 220 ARG b C +30018 O O . ARG T 219 ? 0.8886 0.9592 0.9240 -0.0401 -0.1274 -0.0724 220 ARG b O +30019 C CB . ARG T 219 ? 0.7997 0.8785 0.8377 -0.0280 -0.1320 -0.0708 220 ARG b CB +30020 C CG . ARG T 219 ? 0.9448 1.0313 0.9894 -0.0244 -0.1328 -0.0710 220 ARG b CG +30021 C CD . ARG T 219 ? 0.8748 0.9575 0.9173 -0.0230 -0.1281 -0.0673 220 ARG b CD +30022 N NE . ARG T 219 ? 0.8199 0.8922 0.8509 -0.0199 -0.1277 -0.0640 220 ARG b NE +30023 C CZ . ARG T 219 ? 0.8655 0.9329 0.8926 -0.0181 -0.1243 -0.0605 220 ARG b CZ +30024 N NH1 . ARG T 219 ? 0.8783 0.9500 0.9116 -0.0187 -0.1210 -0.0598 220 ARG b NH1 +30025 N NH2 . ARG T 219 ? 0.7429 0.8011 0.7598 -0.0157 -0.1240 -0.0578 220 ARG b NH2 +30026 N N . PRO T 220 ? 0.7559 0.8148 0.7788 -0.0344 -0.1242 -0.0663 221 PRO b N +30027 C CA . PRO T 220 ? 0.9156 0.9661 0.9308 -0.0366 -0.1236 -0.0658 221 PRO b CA +30028 C C . PRO T 220 ? 0.8243 0.8746 0.8365 -0.0357 -0.1290 -0.0683 221 PRO b C +30029 O O . PRO T 220 ? 0.7793 0.8319 0.7906 -0.0313 -0.1330 -0.0689 221 PRO b O +30030 C CB . PRO T 220 ? 0.7198 0.7613 0.7257 -0.0335 -0.1212 -0.0616 221 PRO b CB +30031 C CG . PRO T 220 ? 0.7521 0.7972 0.7622 -0.0314 -0.1189 -0.0599 221 PRO b CG +30032 C CD . PRO T 220 ? 0.8697 0.9250 0.8887 -0.0304 -0.1221 -0.0627 221 PRO b CD +30033 N N . PRO T 221 ? 0.7804 0.8277 0.7909 -0.0396 -0.1292 -0.0700 222 PRO b N +30034 C CA . PRO T 221 ? 0.7763 0.8212 0.7816 -0.0384 -0.1340 -0.0719 222 PRO b CA +30035 C C . PRO T 221 ? 0.8694 0.9060 0.8637 -0.0336 -0.1348 -0.0690 222 PRO b C +30036 O O . PRO T 221 ? 0.8682 0.8978 0.8569 -0.0332 -0.1308 -0.0657 222 PRO b O +30037 C CB . PRO T 221 ? 0.8156 0.8569 0.8197 -0.0438 -0.1326 -0.0733 222 PRO b CB +30038 C CG . PRO T 221 ? 0.8713 0.9166 0.8834 -0.0482 -0.1281 -0.0733 222 PRO b CG +30039 C CD . PRO T 221 ? 0.7561 0.8022 0.7693 -0.0453 -0.1251 -0.0702 222 PRO b CD +30040 N N . GLN T 222 ? 0.8559 0.8933 0.8473 -0.0299 -0.1399 -0.0703 223 GLN b N +30041 C CA . GLN T 222 ? 0.7540 0.7836 0.7348 -0.0252 -0.1409 -0.0678 223 GLN b CA +30042 C C . GLN T 222 ? 0.9368 0.9561 0.9084 -0.0268 -0.1384 -0.0660 223 GLN b C +30043 O O . GLN T 222 ? 0.8321 0.8444 0.7960 -0.0240 -0.1364 -0.0627 223 GLN b O +30044 C CB . GLN T 222 ? 0.8708 0.9028 0.8498 -0.0217 -0.1472 -0.0700 223 GLN b CB +30045 C CG . GLN T 222 ? 1.0140 1.0367 0.9808 -0.0181 -0.1489 -0.0684 223 GLN b CG +30046 C CD . GLN T 222 ? 1.3874 1.4080 1.3498 -0.0124 -0.1492 -0.0656 223 GLN b CD +30047 O OE1 . GLN T 222 ? 1.3294 1.3524 1.2907 -0.0085 -0.1538 -0.0667 223 GLN b OE1 +30048 N NE2 . GLN T 222 ? 1.3371 1.3530 1.2967 -0.0120 -0.1444 -0.0620 223 GLN b NE2 +30049 N N . ARG T 223 ? 0.8005 0.8188 0.7727 -0.0312 -0.1384 -0.0681 224 ARG b N +30050 C CA . ARG T 223 ? 0.9154 0.9239 0.8788 -0.0325 -0.1360 -0.0665 224 ARG b CA +30051 C C . ARG T 223 ? 1.0864 1.0911 1.0493 -0.0341 -0.1300 -0.0633 224 ARG b C +30052 O O . ARG T 223 ? 0.8840 0.8802 0.8385 -0.0330 -0.1277 -0.0607 224 ARG b O +30053 C CB . ARG T 223 ? 0.8590 0.8671 0.8231 -0.0368 -0.1376 -0.0697 224 ARG b CB +30054 C CG . ARG T 223 ? 1.0648 1.0762 1.0286 -0.0351 -0.1438 -0.0729 224 ARG b CG +30055 C CD . ARG T 223 ? 1.1281 1.1356 1.0879 -0.0379 -0.1458 -0.0754 224 ARG b CD +30056 N NE . ARG T 223 ? 1.3869 1.3839 1.3348 -0.0358 -0.1453 -0.0734 224 ARG b NE +30057 C CZ . ARG T 223 ? 1.0580 1.0507 0.9996 -0.0358 -0.1486 -0.0752 224 ARG b CZ +30058 N NH1 . ARG T 223 ? 1.0247 1.0226 0.9706 -0.0375 -0.1531 -0.0792 224 ARG b NH1 +30059 N NH2 . ARG T 223 ? 1.1163 1.0992 1.0472 -0.0341 -0.1474 -0.0731 224 ARG b NH2 +30060 N N . LEU T 224 ? 0.8000 0.8108 0.7718 -0.0367 -0.1273 -0.0635 225 LEU b N +30061 C CA . LEU T 224 ? 0.8194 0.8268 0.7907 -0.0379 -0.1218 -0.0604 225 LEU b CA +30062 C C . LEU T 224 ? 0.8885 0.8945 0.8571 -0.0333 -0.1206 -0.0572 225 LEU b C +30063 O O . LEU T 224 ? 0.8302 0.8294 0.7927 -0.0325 -0.1173 -0.0541 225 LEU b O +30064 C CB . LEU T 224 ? 0.7648 0.7787 0.7461 -0.0423 -0.1192 -0.0617 225 LEU b CB +30065 C CG . LEU T 224 ? 0.8083 0.8229 0.7924 -0.0476 -0.1193 -0.0645 225 LEU b CG +30066 C CD1 . LEU T 224 ? 0.7143 0.7340 0.7071 -0.0517 -0.1158 -0.0651 225 LEU b CD1 +30067 C CD2 . LEU T 224 ? 0.8085 0.8132 0.7836 -0.0488 -0.1177 -0.0634 225 LEU b CD2 +30068 N N . TYR T 225 ? 0.7553 0.7676 0.7281 -0.0303 -0.1234 -0.0580 226 TYR b N +30069 C CA . TYR T 225 ? 0.6998 0.7108 0.6698 -0.0258 -0.1227 -0.0551 226 TYR b CA +30070 C C . TYR T 225 ? 0.9082 0.9098 0.8670 -0.0228 -0.1226 -0.0526 226 TYR b C +30071 O O . TYR T 225 ? 0.9141 0.9112 0.8690 -0.0212 -0.1193 -0.0494 226 TYR b O +30072 C CB . TYR T 225 ? 0.6758 0.6941 0.6506 -0.0225 -0.1268 -0.0568 226 TYR b CB +30073 C CG . TYR T 225 ? 0.7565 0.7747 0.7302 -0.0182 -0.1259 -0.0541 226 TYR b CG +30074 C CD1 . TYR T 225 ? 0.8060 0.8178 0.7707 -0.0139 -0.1270 -0.0519 226 TYR b CD1 +30075 C CD2 . TYR T 225 ? 0.7184 0.7428 0.7001 -0.0186 -0.1239 -0.0538 226 TYR b CD2 +30076 C CE1 . TYR T 225 ? 0.7068 0.7181 0.6703 -0.0102 -0.1261 -0.0495 226 TYR b CE1 +30077 C CE2 . TYR T 225 ? 0.7791 0.8032 0.7596 -0.0147 -0.1231 -0.0515 226 TYR b CE2 +30078 C CZ . TYR T 225 ? 0.8133 0.8307 0.7848 -0.0106 -0.1242 -0.0493 226 TYR b CZ +30079 O OH . TYR T 225 ? 0.8974 0.9142 0.8678 -0.0069 -0.1233 -0.0470 226 TYR b OH +30080 N N . LYS T 226 ? 0.8714 0.8698 0.8247 -0.0222 -0.1260 -0.0542 227 LYS b N +30081 C CA . LYS T 226 ? 0.9090 0.8987 0.8514 -0.0191 -0.1263 -0.0520 227 LYS b CA +30082 C C . LYS T 226 ? 0.7981 0.7804 0.7353 -0.0217 -0.1224 -0.0504 227 LYS b C +30083 O O . LYS T 226 ? 0.8426 0.8183 0.7728 -0.0196 -0.1200 -0.0474 227 LYS b O +30084 C CB . LYS T 226 ? 0.8862 0.8756 0.8247 -0.0172 -0.1317 -0.0544 227 LYS b CB +30085 C CG . LYS T 226 ? 1.1432 1.1242 1.0703 -0.0134 -0.1325 -0.0524 227 LYS b CG +30086 C CD . LYS T 226 ? 1.5496 1.5303 1.4728 -0.0115 -0.1380 -0.0549 227 LYS b CD +30087 C CE . LYS T 226 ? 1.7756 1.7548 1.6981 -0.0153 -0.1391 -0.0576 227 LYS b CE +30088 N NZ . LYS T 226 ? 1.3303 1.3102 1.2498 -0.0136 -0.1448 -0.0604 227 LYS b NZ +30089 N N . ALA T 227 ? 0.7014 0.6845 0.6417 -0.0262 -0.1215 -0.0524 228 ALA b N +30090 C CA . ALA T 227 ? 0.9201 0.8961 0.8556 -0.0287 -0.1179 -0.0510 228 ALA b CA +30091 C C . ALA T 227 ? 0.9408 0.9155 0.8776 -0.0292 -0.1128 -0.0479 228 ALA b C +30092 O O . ALA T 227 ? 0.8591 0.8267 0.7893 -0.0287 -0.1099 -0.0455 228 ALA b O +30093 C CB . ALA T 227 ? 0.7225 0.6999 0.6616 -0.0336 -0.1181 -0.0539 228 ALA b CB +30094 N N . LEU T 228 ? 0.7746 0.7560 0.7197 -0.0300 -0.1116 -0.0480 229 LEU b N +30095 C CA . LEU T 228 ? 0.7660 0.7466 0.7128 -0.0305 -0.1069 -0.0452 229 LEU b CA +30096 C C . LEU T 228 ? 0.9529 0.9338 0.8984 -0.0263 -0.1066 -0.0428 229 LEU b C +30097 O O . LEU T 228 ? 0.8682 0.8487 0.8150 -0.0263 -0.1030 -0.0405 229 LEU b O +30098 C CB . LEU T 228 ? 0.7754 0.7627 0.7319 -0.0343 -0.1053 -0.0467 229 LEU b CB +30099 C CG . LEU T 228 ? 0.7852 0.7708 0.7425 -0.0391 -0.1040 -0.0483 229 LEU b CG +30100 C CD1 . LEU T 228 ? 0.8511 0.8437 0.8181 -0.0428 -0.1026 -0.0500 229 LEU b CD1 +30101 C CD2 . LEU T 228 ? 0.8399 0.8173 0.7906 -0.0397 -0.1001 -0.0456 229 LEU b CD2 +30102 N N . ARG T 229 ? 0.7892 0.7707 0.7319 -0.0225 -0.1104 -0.0432 230 ARG b N +30103 C CA . ARG T 229 ? 0.7892 0.7701 0.7297 -0.0183 -0.1103 -0.0409 230 ARG b CA +30104 C C . ARG T 229 ? 0.7920 0.7796 0.7409 -0.0186 -0.1088 -0.0406 230 ARG b C +30105 O O . ARG T 229 ? 0.7457 0.7315 0.6939 -0.0175 -0.1057 -0.0379 230 ARG b O +30106 C CB . ARG T 229 ? 0.6917 0.6643 0.6239 -0.0168 -0.1072 -0.0375 230 ARG b CB +30107 C CG . ARG T 229 ? 0.7600 0.7255 0.6840 -0.0172 -0.1076 -0.0376 230 ARG b CG +30108 C CD . ARG T 229 ? 0.8624 0.8264 0.7811 -0.0140 -0.1121 -0.0387 230 ARG b CD +30109 N NE . ARG T 229 ? 1.0161 0.9719 0.9252 -0.0132 -0.1116 -0.0376 230 ARG b NE +30110 C CZ . ARG T 229 ? 1.3439 1.2968 1.2503 -0.0154 -0.1123 -0.0392 230 ARG b CZ +30111 N NH1 . ARG T 229 ? 1.0967 1.0541 1.0090 -0.0188 -0.1137 -0.0422 230 ARG b NH1 +30112 N NH2 . ARG T 229 ? 1.1064 1.0518 1.0039 -0.0143 -0.1114 -0.0380 230 ARG b NH2 +30113 N N . MET T 230 ? 0.8096 0.8050 0.7665 -0.0200 -0.1111 -0.0435 231 MET b N +30114 C CA . MET T 230 ? 0.8034 0.8057 0.7690 -0.0209 -0.1095 -0.0437 231 MET b CA +30115 C C . MET T 230 ? 0.8147 0.8190 0.7807 -0.0165 -0.1103 -0.0423 231 MET b C +30116 O O . MET T 230 ? 0.9277 0.9373 0.9004 -0.0168 -0.1088 -0.0422 231 MET b O +30117 C CB . MET T 230 ? 0.6985 0.7088 0.6726 -0.0236 -0.1117 -0.0474 231 MET b CB +30118 C CG . MET T 230 ? 0.7378 0.7467 0.7127 -0.0285 -0.1103 -0.0488 231 MET b CG +30119 S SD . MET T 230 ? 0.8343 0.8535 0.8210 -0.0323 -0.1115 -0.0526 231 MET b SD +30120 C CE . MET T 230 ? 0.7059 0.7210 0.6910 -0.0378 -0.1098 -0.0539 231 MET b CE +30121 N N . GLY T 231 ? 0.7082 0.7080 0.6669 -0.0125 -0.1125 -0.0411 232 GLY b N +30122 C CA . GLY T 231 ? 0.7640 0.7637 0.7215 -0.0084 -0.1125 -0.0391 232 GLY b CA +30123 C C . GLY T 231 ? 0.7510 0.7439 0.7027 -0.0075 -0.1086 -0.0355 232 GLY b C +30124 O O . GLY T 231 ? 0.8719 0.8637 0.8217 -0.0042 -0.1084 -0.0336 232 GLY b O +30125 N N . ASN T 232 ? 0.7699 0.7580 0.7187 -0.0104 -0.1054 -0.0344 233 ASN b N +30126 C CA . ASN T 232 ? 0.6957 0.6773 0.6389 -0.0098 -0.1016 -0.0311 233 ASN b CA +30127 C C . ASN T 232 ? 0.7625 0.7459 0.7110 -0.0132 -0.0974 -0.0303 233 ASN b C +30128 O O . ASN T 232 ? 0.7131 0.6971 0.6640 -0.0169 -0.0962 -0.0316 233 ASN b O +30129 C CB . ASN T 232 ? 0.6687 0.6428 0.6035 -0.0100 -0.1015 -0.0304 233 ASN b CB +30130 C CG . ASN T 232 ? 0.8155 0.7832 0.7449 -0.0097 -0.0975 -0.0271 233 ASN b CG +30131 O OD1 . ASN T 232 ? 0.7769 0.7455 0.7090 -0.0099 -0.0946 -0.0254 233 ASN b OD1 +30132 N ND2 . ASN T 232 ? 0.7149 0.6761 0.6366 -0.0093 -0.0973 -0.0263 233 ASN b ND2 +30133 N N . ILE T 233 ? 0.7914 0.7754 0.7415 -0.0118 -0.0951 -0.0283 234 ILE b N +30134 C CA . ILE T 233 ? 0.7101 0.6962 0.6654 -0.0146 -0.0913 -0.0277 234 ILE b CA +30135 C C . ILE T 233 ? 0.7615 0.7421 0.7131 -0.0173 -0.0881 -0.0264 234 ILE b C +30136 O O . ILE T 233 ? 0.7452 0.7273 0.7008 -0.0206 -0.0855 -0.0267 234 ILE b O +30137 C CB . ILE T 233 ? 0.7866 0.7736 0.7433 -0.0123 -0.0897 -0.0257 234 ILE b CB +30138 C CG1 . ILE T 233 ? 0.7664 0.7564 0.7291 -0.0151 -0.0861 -0.0254 234 ILE b CG1 +30139 C CG2 . ILE T 233 ? 0.6524 0.6321 0.6009 -0.0098 -0.0883 -0.0227 234 ILE b CG2 +30140 C CD1 . ILE T 233 ? 0.7514 0.7431 0.7163 -0.0130 -0.0847 -0.0239 234 ILE b CD1 +30141 N N . GLU T 234 ? 0.7361 0.7100 0.6796 -0.0159 -0.0882 -0.0250 235 GLU b N +30142 C CA . GLU T 234 ? 0.7067 0.6754 0.6465 -0.0181 -0.0851 -0.0238 235 GLU b CA +30143 C C . GLU T 234 ? 0.7564 0.7259 0.6981 -0.0217 -0.0856 -0.0261 235 GLU b C +30144 O O . GLU T 234 ? 0.7401 0.7067 0.6810 -0.0242 -0.0827 -0.0255 235 GLU b O +30145 C CB . GLU T 234 ? 0.6422 0.6038 0.5731 -0.0157 -0.0851 -0.0219 235 GLU b CB +30146 C CG . GLU T 234 ? 0.7496 0.7061 0.6771 -0.0171 -0.0811 -0.0198 235 GLU b CG +30147 C CD . GLU T 234 ? 0.8231 0.7732 0.7426 -0.0146 -0.0804 -0.0175 235 GLU b CD +30148 O OE1 . GLU T 234 ? 0.7308 0.6800 0.6469 -0.0116 -0.0828 -0.0174 235 GLU b OE1 +30149 O OE2 . GLU T 234 ? 0.7689 0.7150 0.6855 -0.0156 -0.0773 -0.0159 235 GLU b OE2 +30150 N N . THR T 235 ? 0.6509 0.6243 0.5952 -0.0219 -0.0892 -0.0289 236 THR b N +30151 C CA . THR T 235 ? 0.7057 0.6802 0.6525 -0.0257 -0.0895 -0.0312 236 THR b CA +30152 C C . THR T 235 ? 0.6377 0.6165 0.5918 -0.0290 -0.0868 -0.0316 236 THR b C +30153 O O . THR T 235 ? 0.6583 0.6354 0.6129 -0.0324 -0.0849 -0.0322 236 THR b O +30154 C CB . THR T 235 ? 0.7713 0.7495 0.7198 -0.0255 -0.0941 -0.0343 236 THR b CB +30155 O OG1 . THR T 235 ? 0.7807 0.7579 0.7294 -0.0291 -0.0942 -0.0362 236 THR b OG1 +30156 C CG2 . THR T 235 ? 0.5881 0.5749 0.5452 -0.0255 -0.0958 -0.0361 236 THR b CG2 +30157 N N . VAL T 236 ? 0.6608 0.6450 0.6206 -0.0279 -0.0865 -0.0314 237 VAL b N +30158 C CA . VAL T 236 ? 0.7361 0.7242 0.7026 -0.0308 -0.0837 -0.0316 237 VAL b CA +30159 C C . VAL T 236 ? 0.7145 0.6974 0.6778 -0.0318 -0.0794 -0.0290 237 VAL b C +30160 O O . VAL T 236 ? 0.6904 0.6734 0.6562 -0.0352 -0.0769 -0.0293 237 VAL b O +30161 C CB . VAL T 236 ? 0.7906 0.7853 0.7632 -0.0290 -0.0843 -0.0319 237 VAL b CB +30162 C CG1 . VAL T 236 ? 0.6598 0.6588 0.6395 -0.0322 -0.0813 -0.0323 237 VAL b CG1 +30163 C CG2 . VAL T 236 ? 0.7133 0.7131 0.6887 -0.0275 -0.0888 -0.0344 237 VAL b CG2 +30164 N N . LEU T 237 ? 0.7251 0.7033 0.6826 -0.0289 -0.0786 -0.0265 238 LEU b N +30165 C CA . LEU T 237 ? 0.7262 0.6993 0.6803 -0.0298 -0.0748 -0.0241 238 LEU b CA +30166 C C . LEU T 237 ? 0.8021 0.7706 0.7527 -0.0323 -0.0739 -0.0245 238 LEU b C +30167 O O . LEU T 237 ? 0.7050 0.6717 0.6560 -0.0347 -0.0708 -0.0237 238 LEU b O +30168 C CB . LEU T 237 ? 0.6637 0.6327 0.6122 -0.0262 -0.0743 -0.0214 238 LEU b CB +30169 C CG . LEU T 237 ? 0.7749 0.7393 0.7204 -0.0267 -0.0704 -0.0188 238 LEU b CG +30170 C CD1 . LEU T 237 ? 0.6901 0.6578 0.6414 -0.0285 -0.0677 -0.0184 238 LEU b CD1 +30171 C CD2 . LEU T 237 ? 0.6256 0.5862 0.5658 -0.0233 -0.0702 -0.0165 238 LEU b CD2 +30172 N N A SER T 238 ? 0.7478 0.7144 0.6947 -0.0319 -0.0767 -0.0259 239 SER b N +30173 N N B SER T 238 ? 0.7471 0.7136 0.6940 -0.0319 -0.0767 -0.0259 239 SER b N +30174 C CA A SER T 238 ? 0.7039 0.6657 0.6469 -0.0342 -0.0761 -0.0265 239 SER b CA +30175 C CA B SER T 238 ? 0.7039 0.6656 0.6469 -0.0342 -0.0759 -0.0264 239 SER b CA +30176 C C A SER T 238 ? 0.6925 0.6570 0.6409 -0.0384 -0.0750 -0.0283 239 SER b C +30177 C C B SER T 238 ? 0.6925 0.6570 0.6408 -0.0384 -0.0750 -0.0283 239 SER b C +30178 O O A SER T 238 ? 0.6964 0.6573 0.6432 -0.0406 -0.0722 -0.0276 239 SER b O +30179 O O B SER T 238 ? 0.6962 0.6569 0.6429 -0.0406 -0.0723 -0.0276 239 SER b O +30180 C CB A SER T 238 ? 0.7103 0.6699 0.6486 -0.0329 -0.0795 -0.0279 239 SER b CB +30181 C CB B SER T 238 ? 0.7096 0.6688 0.6476 -0.0328 -0.0792 -0.0276 239 SER b CB +30182 O OG A SER T 238 ? 0.8931 0.8502 0.8265 -0.0290 -0.0806 -0.0262 239 SER b OG +30183 O OG B SER T 238 ? 0.5866 0.5407 0.5204 -0.0348 -0.0783 -0.0280 239 SER b OG +30184 N N . SER T 239 ? 0.7364 0.7073 0.6909 -0.0395 -0.0772 -0.0307 240 SER b N +30185 C CA . SER T 239 ? 0.7953 0.7687 0.7548 -0.0438 -0.0762 -0.0327 240 SER b CA +30186 C C . SER T 239 ? 0.6261 0.6016 0.5902 -0.0454 -0.0726 -0.0315 240 SER b C +30187 O O . SER T 239 ? 0.7257 0.7002 0.6912 -0.0488 -0.0704 -0.0320 240 SER b O +30188 C CB . SER T 239 ? 0.6669 0.6468 0.6320 -0.0447 -0.0797 -0.0359 240 SER b CB +30189 O OG . SER T 239 ? 0.6972 0.6814 0.6642 -0.0412 -0.0822 -0.0359 240 SER b OG +30190 N N . SER T 240 ? 0.7494 0.7273 0.7152 -0.0429 -0.0719 -0.0299 241 SER b N +30191 C CA . SER T 240 ? 0.7119 0.6916 0.6816 -0.0442 -0.0684 -0.0287 241 SER b CA +30192 C C . SER T 240 ? 0.6609 0.6339 0.6256 -0.0450 -0.0650 -0.0265 241 SER b C +30193 O O . SER T 240 ? 0.6707 0.6434 0.6375 -0.0479 -0.0623 -0.0264 241 SER b O +30194 C CB . SER T 240 ? 0.6785 0.6616 0.6505 -0.0411 -0.0685 -0.0275 241 SER b CB +30195 O OG . SER T 240 ? 0.6814 0.6716 0.6595 -0.0407 -0.0711 -0.0297 241 SER b OG +30196 N N . ILE T 241 ? 0.7025 0.6701 0.6605 -0.0424 -0.0652 -0.0247 242 ILE b N +30197 C CA . ILE T 241 ? 0.6603 0.6216 0.6133 -0.0430 -0.0622 -0.0227 242 ILE b CA +30198 C C . ILE T 241 ? 0.6937 0.6522 0.6456 -0.0464 -0.0616 -0.0241 242 ILE b C +30199 O O . ILE T 241 ? 0.7142 0.6703 0.6660 -0.0485 -0.0586 -0.0232 242 ILE b O +30200 C CB . ILE T 241 ? 0.6867 0.6431 0.6328 -0.0397 -0.0629 -0.0209 242 ILE b CB +30201 C CG1 . ILE T 241 ? 0.6553 0.6137 0.6022 -0.0367 -0.0626 -0.0191 242 ILE b CG1 +30202 C CG2 . ILE T 241 ? 0.6280 0.5778 0.5687 -0.0404 -0.0603 -0.0194 242 ILE b CG2 +30203 C CD1 . ILE T 241 ? 0.7245 0.6787 0.6650 -0.0333 -0.0635 -0.0175 242 ILE b CD1 +30204 N N . ALA T 242 ? 0.6701 0.6288 0.6213 -0.0471 -0.0644 -0.0262 243 ALA b N +30205 C CA . ALA T 242 ? 0.6363 0.5921 0.5865 -0.0505 -0.0640 -0.0277 243 ALA b CA +30206 C C . ALA T 242 ? 0.6530 0.6124 0.6094 -0.0542 -0.0620 -0.0288 243 ALA b C +30207 O O . ALA T 242 ? 0.6570 0.6127 0.6120 -0.0568 -0.0596 -0.0285 243 ALA b O +30208 C CB . ALA T 242 ? 0.6702 0.6265 0.6193 -0.0507 -0.0677 -0.0302 243 ALA b CB +30209 N N . ALA T 243 ? 0.6704 0.6370 0.6336 -0.0545 -0.0631 -0.0301 244 ALA b N +30210 C CA . ALA T 243 ? 0.6526 0.6229 0.6219 -0.0579 -0.0610 -0.0310 244 ALA b CA +30211 C C . ALA T 243 ? 0.7682 0.7358 0.7365 -0.0581 -0.0571 -0.0285 244 ALA b C +30212 O O . ALA T 243 ? 0.7183 0.6849 0.6881 -0.0612 -0.0545 -0.0287 244 ALA b O +30213 C CB . ALA T 243 ? 0.6571 0.6359 0.6339 -0.0576 -0.0627 -0.0326 244 ALA b CB +30214 N N . VAL T 244 ? 0.6565 0.6228 0.6222 -0.0546 -0.0566 -0.0262 245 VAL b N +30215 C CA . VAL T 244 ? 0.6611 0.6255 0.6262 -0.0545 -0.0532 -0.0240 245 VAL b CA +30216 C C . VAL T 244 ? 0.6477 0.6047 0.6069 -0.0555 -0.0511 -0.0227 245 VAL b C +30217 O O . VAL T 244 ? 0.6553 0.6107 0.6149 -0.0573 -0.0481 -0.0218 245 VAL b O +30218 C CB . VAL T 244 ? 0.7712 0.7370 0.7358 -0.0506 -0.0536 -0.0221 245 VAL b CB +30219 C CG1 . VAL T 244 ? 0.6706 0.6315 0.6310 -0.0495 -0.0509 -0.0194 245 VAL b CG1 +30220 C CG2 . VAL T 244 ? 0.6475 0.6204 0.6191 -0.0506 -0.0536 -0.0228 245 VAL b CG2 +30221 N N . PHE T 245 ? 0.6177 0.5700 0.5712 -0.0543 -0.0525 -0.0226 246 PHE b N +30222 C CA . PHE T 245 ? 0.7306 0.6760 0.6785 -0.0552 -0.0505 -0.0215 246 PHE b CA +30223 C C . PHE T 245 ? 0.7094 0.6533 0.6581 -0.0592 -0.0498 -0.0233 246 PHE b C +30224 O O . PHE T 245 ? 0.7682 0.7074 0.7142 -0.0607 -0.0473 -0.0224 246 PHE b O +30225 C CB . PHE T 245 ? 0.6974 0.6377 0.6385 -0.0525 -0.0517 -0.0205 246 PHE b CB +30226 C CG . PHE T 245 ? 0.6801 0.6189 0.6187 -0.0530 -0.0544 -0.0225 246 PHE b CG +30227 C CD1 . PHE T 245 ? 0.7856 0.7206 0.7224 -0.0559 -0.0540 -0.0238 246 PHE b CD1 +30228 C CD2 . PHE T 245 ? 0.7078 0.6478 0.6450 -0.0504 -0.0573 -0.0229 246 PHE b CD2 +30229 C CE1 . PHE T 245 ? 0.8090 0.7422 0.7431 -0.0563 -0.0565 -0.0257 246 PHE b CE1 +30230 C CE2 . PHE T 245 ? 0.8490 0.7873 0.7835 -0.0507 -0.0599 -0.0247 246 PHE b CE2 +30231 C CZ . PHE T 245 ? 0.8102 0.7451 0.7432 -0.0537 -0.0595 -0.0261 246 PHE b CZ +30232 N N . PHE T 246 ? 0.7277 0.6754 0.6801 -0.0610 -0.0521 -0.0258 247 PHE b N +30233 C CA . PHE T 246 ? 0.7495 0.6971 0.7042 -0.0653 -0.0512 -0.0277 247 PHE b CA +30234 C C . PHE T 246 ? 0.7313 0.6807 0.6899 -0.0673 -0.0480 -0.0270 247 PHE b C +30235 O O . PHE T 246 ? 0.6881 0.6330 0.6445 -0.0697 -0.0454 -0.0265 247 PHE b O +30236 C CB . PHE T 246 ? 0.6690 0.6221 0.6284 -0.0666 -0.0544 -0.0306 247 PHE b CB +30237 C CG . PHE T 246 ? 0.7498 0.7028 0.7115 -0.0711 -0.0539 -0.0329 247 PHE b CG +30238 C CD1 . PHE T 246 ? 0.7476 0.7056 0.7159 -0.0741 -0.0523 -0.0339 247 PHE b CD1 +30239 C CD2 . PHE T 246 ? 0.9621 0.9100 0.9192 -0.0725 -0.0550 -0.0341 247 PHE b CD2 +30240 C CE1 . PHE T 246 ? 0.9251 0.8828 0.8955 -0.0785 -0.0517 -0.0359 247 PHE b CE1 +30241 C CE2 . PHE T 246 ? 1.0716 1.0190 1.0306 -0.0770 -0.0546 -0.0362 247 PHE b CE2 +30242 C CZ . PHE T 246 ? 0.9605 0.9130 0.9263 -0.0800 -0.0529 -0.0371 247 PHE b CZ +30243 N N . ALA T 247 ? 0.6644 0.6201 0.6285 -0.0663 -0.0479 -0.0268 248 ALA b N +30244 C CA . ALA T 247 ? 0.6385 0.5962 0.6063 -0.0680 -0.0449 -0.0261 248 ALA b CA +30245 C C . ALA T 247 ? 0.6483 0.6000 0.6110 -0.0671 -0.0419 -0.0234 248 ALA b C +30246 O O . ALA T 247 ? 0.6897 0.6392 0.6525 -0.0696 -0.0391 -0.0230 248 ALA b O +30247 C CB . ALA T 247 ? 0.6183 0.5834 0.5921 -0.0664 -0.0456 -0.0263 248 ALA b CB +30248 N N . ALA T 248 ? 0.7174 0.6661 0.6755 -0.0636 -0.0426 -0.0216 249 ALA b N +30249 C CA . ALA T 248 ? 0.6664 0.6101 0.6202 -0.0625 -0.0400 -0.0191 249 ALA b CA +30250 C C . ALA T 248 ? 0.6504 0.5872 0.5991 -0.0644 -0.0386 -0.0190 249 ALA b C +30251 O O . ALA T 248 ? 0.7192 0.6525 0.6660 -0.0650 -0.0359 -0.0176 249 ALA b O +30252 C CB . ALA T 248 ? 0.6743 0.6168 0.6247 -0.0584 -0.0410 -0.0173 249 ALA b CB +30253 N N . PHE T 249 ? 0.6226 0.5569 0.5688 -0.0651 -0.0405 -0.0205 250 PHE b N +30254 C CA . PHE T 249 ? 0.6016 0.5292 0.5430 -0.0672 -0.0392 -0.0205 250 PHE b CA +30255 C C . PHE T 249 ? 0.6506 0.5787 0.5952 -0.0713 -0.0371 -0.0216 250 PHE b C +30256 O O . PHE T 249 ? 0.6596 0.5822 0.6008 -0.0726 -0.0347 -0.0207 250 PHE b O +30257 C CB . PHE T 249 ? 0.7140 0.6389 0.6521 -0.0671 -0.0417 -0.0221 250 PHE b CB +30258 C CG . PHE T 249 ? 0.6654 0.5861 0.5975 -0.0636 -0.0425 -0.0206 250 PHE b CG +30259 C CD1 . PHE T 249 ? 0.7280 0.6428 0.6550 -0.0625 -0.0403 -0.0186 250 PHE b CD1 +30260 C CD2 . PHE T 249 ? 0.6897 0.6121 0.6210 -0.0613 -0.0454 -0.0212 250 PHE b CD2 +30261 C CE1 . PHE T 249 ? 0.6658 0.5771 0.5876 -0.0592 -0.0409 -0.0172 250 PHE b CE1 +30262 C CE2 . PHE T 249 ? 0.6436 0.5619 0.5691 -0.0582 -0.0459 -0.0198 250 PHE b CE2 +30263 C CZ . PHE T 249 ? 0.6921 0.6051 0.6131 -0.0572 -0.0436 -0.0179 250 PHE b CZ +30264 N N . VAL T 250 ? 0.6643 0.5988 0.6154 -0.0732 -0.0379 -0.0234 251 VAL b N +30265 C CA . VAL T 250 ? 0.7942 0.7297 0.7488 -0.0774 -0.0358 -0.0246 251 VAL b CA +30266 C C . VAL T 250 ? 0.7574 0.6924 0.7125 -0.0774 -0.0325 -0.0226 251 VAL b C +30267 O O . VAL T 250 ? 0.6883 0.6191 0.6415 -0.0799 -0.0299 -0.0223 251 VAL b O +30268 C CB . VAL T 250 ? 0.6961 0.6393 0.6581 -0.0793 -0.0375 -0.0271 251 VAL b CB +30269 C CG1 . VAL T 250 ? 0.6496 0.5948 0.6159 -0.0834 -0.0349 -0.0280 251 VAL b CG1 +30270 C CG2 . VAL T 250 ? 0.6768 0.6195 0.6377 -0.0800 -0.0406 -0.0293 251 VAL b CG2 +30271 N N . VAL T 251 ? 0.6722 0.6112 0.6296 -0.0745 -0.0326 -0.0213 252 VAL b N +30272 C CA . VAL T 251 ? 0.7097 0.6485 0.6676 -0.0745 -0.0295 -0.0196 252 VAL b CA +30273 C C . VAL T 251 ? 0.6308 0.5619 0.5817 -0.0733 -0.0279 -0.0174 252 VAL b C +30274 O O . VAL T 251 ? 0.7236 0.6521 0.6734 -0.0744 -0.0251 -0.0163 252 VAL b O +30275 C CB . VAL T 251 ? 0.6871 0.6320 0.6493 -0.0719 -0.0299 -0.0188 252 VAL b CB +30276 C CG1 . VAL T 251 ? 0.6560 0.6087 0.6254 -0.0732 -0.0313 -0.0210 252 VAL b CG1 +30277 C CG2 . VAL T 251 ? 0.5962 0.5400 0.5551 -0.0677 -0.0317 -0.0173 252 VAL b CG2 +30278 N N . ALA T 252 ? 0.6579 0.5854 0.6041 -0.0708 -0.0295 -0.0167 253 ALA b N +30279 C CA . ALA T 252 ? 0.6453 0.5655 0.5849 -0.0696 -0.0280 -0.0149 253 ALA b CA +30280 C C . ALA T 252 ? 0.7140 0.6287 0.6506 -0.0729 -0.0265 -0.0156 253 ALA b C +30281 O O . ALA T 252 ? 0.7606 0.6704 0.6938 -0.0733 -0.0241 -0.0142 253 ALA b O +30282 C CB . ALA T 252 ? 0.6644 0.5822 0.5997 -0.0663 -0.0300 -0.0142 253 ALA b CB +30283 N N . GLY T 253 ? 0.6923 0.6072 0.6299 -0.0753 -0.0280 -0.0178 254 GLY b N +30284 C CA . GLY T 253 ? 0.6295 0.5388 0.5641 -0.0786 -0.0266 -0.0186 254 GLY b CA +30285 C C . GLY T 253 ? 0.6907 0.6006 0.6280 -0.0818 -0.0238 -0.0187 254 GLY b C +30286 O O . GLY T 253 ? 0.7212 0.6249 0.6542 -0.0829 -0.0214 -0.0177 254 GLY b O +30287 N N . THR T 254 ? 0.7149 0.6322 0.6592 -0.0831 -0.0238 -0.0198 255 THR b N +30288 C CA . THR T 254 ? 0.7422 0.6602 0.6892 -0.0864 -0.0209 -0.0200 255 THR b CA +30289 C C . THR T 254 ? 0.7079 0.6240 0.6529 -0.0846 -0.0184 -0.0175 255 THR b C +30290 O O . THR T 254 ? 0.7188 0.6322 0.6629 -0.0870 -0.0155 -0.0170 255 THR b O +30291 C CB . THR T 254 ? 0.7150 0.6419 0.6705 -0.0883 -0.0214 -0.0219 255 THR b CB +30292 O OG1 . THR T 254 ? 0.7034 0.6362 0.6623 -0.0850 -0.0225 -0.0211 255 THR b OG1 +30293 C CG2 . THR T 254 ? 0.7048 0.6339 0.6625 -0.0902 -0.0241 -0.0246 255 THR b CG2 +30294 N N . MET T 255 ? 0.7056 0.6230 0.6496 -0.0805 -0.0194 -0.0159 256 MET b N +30295 C CA . MET T 255 ? 0.7228 0.6374 0.6640 -0.0788 -0.0173 -0.0135 256 MET b CA +30296 C C . MET T 255 ? 0.6733 0.5790 0.6070 -0.0788 -0.0159 -0.0123 256 MET b C +30297 O O . MET T 255 ? 0.6825 0.5846 0.6139 -0.0795 -0.0134 -0.0111 256 MET b O +30298 C CB . MET T 255 ? 0.6283 0.5462 0.5702 -0.0746 -0.0187 -0.0122 256 MET b CB +30299 C CG . MET T 255 ? 0.7120 0.6276 0.6513 -0.0727 -0.0167 -0.0098 256 MET b CG +30300 S SD . MET T 255 ? 0.6788 0.5978 0.6224 -0.0748 -0.0138 -0.0097 256 MET b SD +30301 C CE . MET T 255 ? 0.6113 0.5399 0.5624 -0.0734 -0.0158 -0.0107 256 MET b CE +30302 N N . TRP T 256 ? 0.6415 0.5433 0.5712 -0.0779 -0.0177 -0.0127 257 TRP b N +30303 C CA . TRP T 256 ? 0.7130 0.6063 0.6354 -0.0773 -0.0167 -0.0115 257 TRP b CA +30304 C C . TRP T 256 ? 0.7316 0.6198 0.6519 -0.0812 -0.0148 -0.0124 257 TRP b C +30305 O O . TRP T 256 ? 0.6951 0.5771 0.6105 -0.0814 -0.0127 -0.0111 257 TRP b O +30306 C CB . TRP T 256 ? 0.7126 0.6034 0.6313 -0.0747 -0.0191 -0.0115 257 TRP b CB +30307 C CG . TRP T 256 ? 0.6752 0.5583 0.5867 -0.0729 -0.0181 -0.0100 257 TRP b CG +30308 C CD1 . TRP T 256 ? 0.7240 0.6005 0.6302 -0.0734 -0.0184 -0.0104 257 TRP b CD1 +30309 C CD2 . TRP T 256 ? 0.6939 0.5752 0.6029 -0.0701 -0.0169 -0.0077 257 TRP b CD2 +30310 N NE1 . TRP T 256 ? 0.6844 0.5551 0.5848 -0.0709 -0.0174 -0.0086 257 TRP b NE1 +30311 C CE2 . TRP T 256 ? 0.7134 0.5871 0.6156 -0.0690 -0.0164 -0.0069 257 TRP b CE2 +30312 C CE3 . TRP T 256 ? 0.6716 0.5569 0.5833 -0.0685 -0.0161 -0.0063 257 TRP b CE3 +30313 C CZ2 . TRP T 256 ? 0.6658 0.5362 0.5641 -0.0662 -0.0154 -0.0049 257 TRP b CZ2 +30314 C CZ3 . TRP T 256 ? 0.6990 0.5809 0.6068 -0.0659 -0.0151 -0.0043 257 TRP b CZ3 +30315 C CH2 . TRP T 256 ? 0.7586 0.6332 0.6599 -0.0648 -0.0147 -0.0036 257 TRP b CH2 +30316 N N . TYR T 257 ? 0.7349 0.6254 0.6585 -0.0845 -0.0156 -0.0147 258 TYR b N +30317 C CA . TYR T 257 ? 0.7422 0.6279 0.6640 -0.0886 -0.0138 -0.0157 258 TYR b CA +30318 C C . TYR T 257 ? 0.7648 0.6533 0.6906 -0.0915 -0.0111 -0.0157 258 TYR b C +30319 O O . TYR T 257 ? 0.7089 0.5921 0.6319 -0.0944 -0.0086 -0.0157 258 TYR b O +30320 C CB . TYR T 257 ? 0.7254 0.6121 0.6489 -0.0912 -0.0158 -0.0182 258 TYR b CB +30321 C CG . TYR T 257 ? 0.7258 0.6096 0.6451 -0.0884 -0.0184 -0.0183 258 TYR b CG +30322 C CD1 . TYR T 257 ? 0.7265 0.6021 0.6383 -0.0867 -0.0178 -0.0169 258 TYR b CD1 +30323 C CD2 . TYR T 257 ? 0.7170 0.6064 0.6399 -0.0873 -0.0215 -0.0197 258 TYR b CD2 +30324 C CE1 . TYR T 257 ? 0.7738 0.6468 0.6818 -0.0840 -0.0200 -0.0170 258 TYR b CE1 +30325 C CE2 . TYR T 257 ? 0.6902 0.5767 0.6089 -0.0847 -0.0237 -0.0198 258 TYR b CE2 +30326 C CZ . TYR T 257 ? 0.7571 0.6355 0.6685 -0.0831 -0.0229 -0.0184 258 TYR b CZ +30327 O OH . TYR T 257 ? 0.8273 0.7026 0.7343 -0.0805 -0.0248 -0.0184 258 TYR b OH +30328 N N . GLY T 258 ? 0.7009 0.5973 0.6329 -0.0908 -0.0114 -0.0158 259 GLY b N +30329 C CA . GLY T 258 ? 0.7149 0.6142 0.6509 -0.0938 -0.0087 -0.0162 259 GLY b CA +30330 C C . GLY T 258 ? 0.7215 0.6273 0.6645 -0.0971 -0.0095 -0.0188 259 GLY b C +30331 O O . GLY T 258 ? 0.8100 0.7150 0.7529 -0.0987 -0.0113 -0.0206 259 GLY b O +30332 N N . SER T 259 ? 0.7445 0.6570 0.6937 -0.0980 -0.0084 -0.0192 260 SER b N +30333 C CA . SER T 259 ? 0.8285 0.7476 0.7849 -0.1015 -0.0086 -0.0217 260 SER b CA +30334 C C . SER T 259 ? 0.7826 0.7061 0.7433 -0.1026 -0.0058 -0.0214 260 SER b C +30335 O O . SER T 259 ? 0.8176 0.7388 0.7756 -0.1005 -0.0041 -0.0192 260 SER b O +30336 C CB . SER T 259 ? 0.6190 0.5451 0.5802 -0.0997 -0.0124 -0.0233 260 SER b CB +30337 O OG . SER T 259 ? 0.7622 0.6948 0.7275 -0.0967 -0.0129 -0.0225 260 SER b OG +30338 N N . ALA T 260 ? 0.8126 0.7426 0.7804 -0.1058 -0.0054 -0.0235 261 ALA b N +30339 C CA . ALA T 260 ? 0.6956 0.6309 0.6685 -0.1068 -0.0029 -0.0235 261 ALA b CA +30340 C C . ALA T 260 ? 0.8128 0.7537 0.7884 -0.1024 -0.0042 -0.0224 261 ALA b C +30341 O O . ALA T 260 ? 0.7069 0.6503 0.6846 -0.1022 -0.0019 -0.0216 261 ALA b O +30342 C CB . ALA T 260 ? 0.6814 0.6235 0.6620 -0.1109 -0.0027 -0.0263 261 ALA b CB +30343 N N . THR T 261 ? 0.7216 0.6643 0.6970 -0.0989 -0.0077 -0.0224 262 THR b N +30344 C CA . THR T 261 ? 0.7038 0.6512 0.6815 -0.0949 -0.0088 -0.0213 262 THR b CA +30345 C C . THR T 261 ? 0.6415 0.5830 0.6124 -0.0912 -0.0088 -0.0186 262 THR b C +30346 O O . THR T 261 ? 0.7957 0.7404 0.7677 -0.0877 -0.0099 -0.0176 262 THR b O +30347 C CB . THR T 261 ? 0.7845 0.7389 0.7672 -0.0932 -0.0126 -0.0229 262 THR b CB +30348 O OG1 . THR T 261 ? 0.7206 0.6709 0.6986 -0.0911 -0.0153 -0.0226 262 THR b OG1 +30349 C CG2 . THR T 261 ? 0.6895 0.6500 0.6791 -0.0969 -0.0129 -0.0259 262 THR b CG2 +30350 N N . THR T 262 ? 0.6825 0.6156 0.6465 -0.0919 -0.0076 -0.0174 263 THR b N +30351 C CA . THR T 262 ? 0.7155 0.6431 0.6733 -0.0885 -0.0073 -0.0149 263 THR b CA +30352 C C . THR T 262 ? 0.7782 0.6993 0.7313 -0.0903 -0.0038 -0.0136 263 THR b C +30353 O O . THR T 262 ? 0.7159 0.6293 0.6624 -0.0902 -0.0034 -0.0126 263 THR b O +30354 C CB . THR T 262 ? 0.6845 0.6079 0.6375 -0.0863 -0.0098 -0.0145 263 THR b CB +30355 O OG1 . THR T 262 ? 0.7374 0.6550 0.6868 -0.0891 -0.0094 -0.0153 263 THR b OG1 +30356 C CG2 . THR T 262 ? 0.6526 0.5823 0.6099 -0.0845 -0.0133 -0.0158 263 THR b CG2 +30357 N N . PRO T 263 ? 0.7066 0.6305 0.6627 -0.0917 -0.0012 -0.0134 264 PRO b N +30358 C CA . PRO T 263 ? 0.7667 0.6845 0.7185 -0.0937 0.0023 -0.0123 264 PRO b CA +30359 C C . PRO T 263 ? 0.8532 0.7645 0.7979 -0.0905 0.0026 -0.0098 264 PRO b C +30360 O O . PRO T 263 ? 0.7938 0.7070 0.7384 -0.0868 0.0009 -0.0087 264 PRO b O +30361 C CB . PRO T 263 ? 0.7219 0.6454 0.6790 -0.0950 0.0045 -0.0127 264 PRO b CB +30362 C CG . PRO T 263 ? 0.7174 0.6501 0.6821 -0.0939 0.0021 -0.0142 264 PRO b CG +30363 C CD . PRO T 263 ? 0.7351 0.6674 0.6980 -0.0907 -0.0014 -0.0140 264 PRO b CD +30364 N N . ILE T 264 ? 0.7166 0.6199 0.6552 -0.0921 0.0048 -0.0089 265 ILE b N +30365 C CA . ILE T 264 ? 0.7892 0.6858 0.7207 -0.0892 0.0050 -0.0067 265 ILE b CA +30366 C C . ILE T 264 ? 0.8121 0.7098 0.7434 -0.0874 0.0066 -0.0051 265 ILE b C +30367 O O . ILE T 264 ? 0.8093 0.7037 0.7362 -0.0841 0.0060 -0.0033 265 ILE b O +30368 C CB . ILE T 264 ? 0.8615 0.7488 0.7860 -0.0911 0.0066 -0.0061 265 ILE b CB +30369 C CG1 . ILE T 264 ? 0.7975 0.6826 0.7214 -0.0945 0.0103 -0.0061 265 ILE b CG1 +30370 C CG2 . ILE T 264 ? 0.7378 0.6237 0.6623 -0.0931 0.0050 -0.0078 265 ILE b CG2 +30371 C CD1 . ILE T 264 ? 0.9454 0.8205 0.8618 -0.0962 0.0120 -0.0054 265 ILE b CD1 +30372 N N . GLU T 265 ? 0.7271 0.6295 0.6631 -0.0894 0.0086 -0.0057 266 GLU b N +30373 C CA . GLU T 265 ? 0.8420 0.7457 0.7779 -0.0875 0.0099 -0.0044 266 GLU b CA +30374 C C . GLU T 265 ? 0.7013 0.6114 0.6412 -0.0839 0.0075 -0.0042 266 GLU b C +30375 O O . GLU T 265 ? 0.7506 0.6608 0.6893 -0.0815 0.0080 -0.0028 266 GLU b O +30376 C CB . GLU T 265 ? 0.7342 0.6405 0.6735 -0.0907 0.0131 -0.0051 266 GLU b CB +30377 C CG . GLU T 265 ? 0.8096 0.7079 0.7431 -0.0935 0.0163 -0.0044 266 GLU b CG +30378 C CD . GLU T 265 ? 0.7894 0.6904 0.7269 -0.0978 0.0193 -0.0058 266 GLU b CD +30379 O OE1 . GLU T 265 ? 0.7197 0.6251 0.6625 -0.1003 0.0185 -0.0079 266 GLU b OE1 +30380 O OE2 . GLU T 265 ? 0.7520 0.6510 0.6876 -0.0987 0.0223 -0.0050 266 GLU b OE2 +30381 N N . LEU T 266 ? 0.6835 0.5986 0.6279 -0.0836 0.0049 -0.0056 267 LEU b N +30382 C CA . LEU T 266 ? 0.6854 0.6061 0.6331 -0.0802 0.0024 -0.0055 267 LEU b CA +30383 C C . LEU T 266 ? 0.7093 0.6268 0.6530 -0.0772 -0.0002 -0.0045 267 LEU b C +30384 O O . LEU T 266 ? 0.7695 0.6883 0.7128 -0.0739 -0.0013 -0.0034 267 LEU b O +30385 C CB . LEU T 266 ? 0.6682 0.5968 0.6234 -0.0814 0.0010 -0.0076 267 LEU b CB +30386 C CG . LEU T 266 ? 0.8156 0.7484 0.7758 -0.0845 0.0036 -0.0088 267 LEU b CG +30387 C CD1 . LEU T 266 ? 0.6147 0.5562 0.5827 -0.0848 0.0019 -0.0109 267 LEU b CD1 +30388 C CD2 . LEU T 266 ? 0.6812 0.6133 0.6402 -0.0837 0.0061 -0.0075 267 LEU b CD2 +30389 N N . PHE T 267 ? 0.7263 0.6398 0.6671 -0.0782 -0.0011 -0.0050 268 PHE b N +30390 C CA . PHE T 267 ? 0.6436 0.5544 0.5808 -0.0753 -0.0035 -0.0043 268 PHE b CA +30391 C C . PHE T 267 ? 0.7312 0.6335 0.6610 -0.0749 -0.0026 -0.0029 268 PHE b C +30392 O O . PHE T 267 ? 0.7521 0.6518 0.6785 -0.0724 -0.0043 -0.0022 268 PHE b O +30393 C CB . PHE T 267 ? 0.5869 0.5004 0.5268 -0.0761 -0.0059 -0.0060 268 PHE b CB +30394 C CG . PHE T 267 ? 0.7075 0.6294 0.6547 -0.0762 -0.0071 -0.0074 268 PHE b CG +30395 C CD1 . PHE T 267 ? 0.6876 0.6138 0.6369 -0.0728 -0.0091 -0.0069 268 PHE b CD1 +30396 C CD2 . PHE T 267 ? 0.6730 0.5988 0.6251 -0.0795 -0.0062 -0.0093 268 PHE b CD2 +30397 C CE1 . PHE T 267 ? 0.6370 0.5706 0.5926 -0.0726 -0.0102 -0.0082 268 PHE b CE1 +30398 C CE2 . PHE T 267 ? 0.7220 0.6559 0.6810 -0.0794 -0.0075 -0.0107 268 PHE b CE2 +30399 C CZ . PHE T 267 ? 0.6622 0.5999 0.6228 -0.0758 -0.0095 -0.0101 268 PHE b CZ +30400 N N . GLY T 268 ? 0.6554 0.5531 0.5822 -0.0772 0.0002 -0.0025 269 GLY b N +30401 C CA . GLY T 268 ? 0.6213 0.5105 0.5408 -0.0769 0.0011 -0.0013 269 GLY b CA +30402 C C . GLY T 268 ? 0.7726 0.6579 0.6901 -0.0795 0.0009 -0.0026 269 GLY b C +30403 O O . GLY T 268 ? 0.7148 0.6041 0.6365 -0.0811 -0.0005 -0.0043 269 GLY b O +30404 N N . PRO T 269 ? 0.6090 0.4861 0.5198 -0.0797 0.0020 -0.0017 270 PRO b N +30405 C CA . PRO T 269 ? 0.7359 0.6081 0.6440 -0.0823 0.0020 -0.0028 270 PRO b CA +30406 C C . PRO T 269 ? 0.7464 0.6189 0.6540 -0.0804 -0.0009 -0.0034 270 PRO b C +30407 O O . PRO T 269 ? 0.7357 0.6111 0.6440 -0.0769 -0.0028 -0.0027 270 PRO b O +30408 C CB . PRO T 269 ? 0.6966 0.5597 0.5970 -0.0823 0.0041 -0.0013 270 PRO b CB +30409 C CG . PRO T 269 ? 0.7674 0.6304 0.6658 -0.0786 0.0040 0.0007 270 PRO b CG +30410 C CD . PRO T 269 ? 0.7593 0.6311 0.6645 -0.0777 0.0034 0.0004 270 PRO b CD +30411 N N . THR T 270 ? 0.7035 0.5729 0.6098 -0.0829 -0.0012 -0.0048 271 THR b N +30412 C CA . THR T 270 ? 0.6680 0.5367 0.5730 -0.0814 -0.0039 -0.0055 271 THR b CA +30413 C C . THR T 270 ? 0.7626 0.6224 0.6596 -0.0797 -0.0037 -0.0043 271 THR b C +30414 O O . THR T 270 ? 0.7080 0.5617 0.6004 -0.0804 -0.0015 -0.0032 271 THR b O +30415 C CB . THR T 270 ? 0.7419 0.6121 0.6499 -0.0849 -0.0047 -0.0079 271 THR b CB +30416 O OG1 . THR T 270 ? 0.7314 0.5941 0.6346 -0.0878 -0.0029 -0.0082 271 THR b OG1 +30417 C CG2 . THR T 270 ? 0.6222 0.5007 0.5381 -0.0873 -0.0043 -0.0092 271 THR b CG2 +30418 N N . ARG T 271 ? 0.7119 0.5709 0.6070 -0.0772 -0.0060 -0.0044 272 ARG b N +30419 C CA . ARG T 271 ? 0.7637 0.6145 0.6514 -0.0754 -0.0059 -0.0035 272 ARG b CA +30420 C C . ARG T 271 ? 0.7426 0.5867 0.6266 -0.0789 -0.0048 -0.0046 272 ARG b C +30421 O O . ARG T 271 ? 0.7754 0.6115 0.6528 -0.0783 -0.0036 -0.0036 272 ARG b O +30422 C CB . ARG T 271 ? 0.7181 0.5698 0.6048 -0.0721 -0.0086 -0.0036 272 ARG b CB +30423 C CG . ARG T 271 ? 0.7214 0.5749 0.6102 -0.0738 -0.0105 -0.0057 272 ARG b CG +30424 C CD . ARG T 271 ? 0.7183 0.5682 0.6027 -0.0710 -0.0123 -0.0056 272 ARG b CD +30425 N NE . ARG T 271 ? 0.7018 0.5425 0.5789 -0.0710 -0.0111 -0.0051 272 ARG b NE +30426 C CZ . ARG T 271 ? 0.7593 0.5954 0.6312 -0.0678 -0.0118 -0.0043 272 ARG b CZ +30427 N NH1 . ARG T 271 ? 0.6809 0.5206 0.5538 -0.0643 -0.0135 -0.0039 272 ARG b NH1 +30428 N NH2 . ARG T 271 ? 0.7418 0.5694 0.6071 -0.0680 -0.0106 -0.0039 272 ARG b NH2 +30429 N N . TYR T 272 ? 0.7322 0.5794 0.6203 -0.0825 -0.0051 -0.0066 273 TYR b N +30430 C CA . TYR T 272 ? 0.7500 0.5910 0.6349 -0.0861 -0.0041 -0.0078 273 TYR b CA +30431 C C . TYR T 272 ? 0.7659 0.6025 0.6486 -0.0888 -0.0009 -0.0071 273 TYR b C +30432 O O . TYR T 272 ? 0.7719 0.6005 0.6492 -0.0908 0.0003 -0.0073 273 TYR b O +30433 C CB . TYR T 272 ? 0.7002 0.5464 0.5907 -0.0892 -0.0056 -0.0104 273 TYR b CB +30434 C CG . TYR T 272 ? 0.7825 0.6322 0.6742 -0.0863 -0.0088 -0.0109 273 TYR b CG +30435 C CD1 . TYR T 272 ? 0.7392 0.5830 0.6253 -0.0848 -0.0101 -0.0111 273 TYR b CD1 +30436 C CD2 . TYR T 272 ? 0.7001 0.5587 0.5981 -0.0846 -0.0104 -0.0111 273 TYR b CD2 +30437 C CE1 . TYR T 272 ? 0.7713 0.6181 0.6581 -0.0819 -0.0128 -0.0115 273 TYR b CE1 +30438 C CE2 . TYR T 272 ? 0.6337 0.4951 0.5323 -0.0818 -0.0132 -0.0115 273 TYR b CE2 +30439 C CZ . TYR T 272 ? 0.7773 0.6328 0.6702 -0.0804 -0.0143 -0.0116 273 TYR b CZ +30440 O OH . TYR T 272 ? 0.7113 0.5694 0.6046 -0.0777 -0.0169 -0.0120 273 TYR b OH +30441 N N . GLN T 273 ? 0.7389 0.5799 0.6250 -0.0887 0.0005 -0.0062 274 GLN b N +30442 C CA . GLN T 273 ? 0.7944 0.6306 0.6775 -0.0908 0.0037 -0.0053 274 GLN b CA +30443 C C . GLN T 273 ? 0.7158 0.5434 0.5906 -0.0880 0.0044 -0.0032 274 GLN b C +30444 O O . GLN T 273 ? 0.7274 0.5477 0.5972 -0.0899 0.0067 -0.0027 274 GLN b O +30445 C CB . GLN T 273 ? 0.7060 0.5493 0.5949 -0.0913 0.0049 -0.0049 274 GLN b CB +30446 C CG . GLN T 273 ? 0.6972 0.5474 0.5936 -0.0952 0.0051 -0.0071 274 GLN b CG +30447 C CD . GLN T 273 ? 0.8684 0.7271 0.7715 -0.0949 0.0056 -0.0070 274 GLN b CD +30448 O OE1 . GLN T 273 ? 0.8010 0.6630 0.7049 -0.0911 0.0044 -0.0057 274 GLN b OE1 +30449 N NE2 . GLN T 273 ? 0.7027 0.5654 0.6109 -0.0989 0.0072 -0.0084 274 GLN b NE2 +30450 N N . TRP T 274 ? 0.8197 0.6478 0.6929 -0.0834 0.0025 -0.0021 275 TRP b N +30451 C CA . TRP T 274 ? 0.8346 0.6546 0.6999 -0.0805 0.0029 -0.0004 275 TRP b CA +30452 C C . TRP T 274 ? 0.7886 0.6012 0.6484 -0.0810 0.0022 -0.0012 275 TRP b C +30453 O O . TRP T 274 ? 0.8570 0.6608 0.7098 -0.0811 0.0037 -0.0004 275 TRP b O +30454 C CB . TRP T 274 ? 0.6782 0.5015 0.5438 -0.0755 0.0011 0.0009 275 TRP b CB +30455 C CG . TRP T 274 ? 0.7168 0.5326 0.5749 -0.0721 0.0012 0.0026 275 TRP b CG +30456 C CD1 . TRP T 274 ? 0.6408 0.4534 0.4952 -0.0692 -0.0005 0.0027 275 TRP b CD1 +30457 C CD2 . TRP T 274 ? 0.7083 0.5190 0.5616 -0.0710 0.0030 0.0043 275 TRP b CD2 +30458 N NE1 . TRP T 274 ? 0.7466 0.5528 0.5946 -0.0664 0.0001 0.0043 275 TRP b NE1 +30459 C CE2 . TRP T 274 ? 0.6516 0.4564 0.4987 -0.0674 0.0022 0.0053 275 TRP b CE2 +30460 C CE3 . TRP T 274 ? 0.7439 0.5548 0.5976 -0.0726 0.0053 0.0051 275 TRP b CE3 +30461 C CZ2 . TRP T 274 ? 0.7525 0.5516 0.5938 -0.0653 0.0033 0.0071 275 TRP b CZ2 +30462 C CZ3 . TRP T 274 ? 0.7857 0.5904 0.6333 -0.0707 0.0065 0.0068 275 TRP b CZ3 +30463 C CH2 . TRP T 274 ? 0.7477 0.5466 0.5892 -0.0670 0.0054 0.0078 275 TRP b CH2 +30464 N N . ASP T 275 ? 0.7927 0.6086 0.6552 -0.0810 0.0000 -0.0027 276 ASP b N +30465 C CA . ASP T 275 ? 0.7961 0.6052 0.6536 -0.0813 -0.0009 -0.0036 276 ASP b CA +30466 C C . ASP T 275 ? 0.8402 0.6422 0.6941 -0.0856 0.0014 -0.0043 276 ASP b C +30467 O O . ASP T 275 ? 0.8118 0.6047 0.6583 -0.0851 0.0019 -0.0039 276 ASP b O +30468 C CB . ASP T 275 ? 0.8254 0.6399 0.6873 -0.0818 -0.0034 -0.0056 276 ASP b CB +30469 C CG . ASP T 275 ? 0.8220 0.6422 0.6863 -0.0774 -0.0057 -0.0049 276 ASP b CG +30470 O OD1 . ASP T 275 ? 0.7779 0.5950 0.6379 -0.0736 -0.0058 -0.0033 276 ASP b OD1 +30471 O OD2 . ASP T 275 ? 0.8165 0.6442 0.6868 -0.0778 -0.0074 -0.0061 276 ASP b OD2 +30472 N N . SER T 276 ? 0.7423 0.5481 0.6011 -0.0898 0.0028 -0.0053 277 SER b N +30473 C CA . SER T 276 ? 0.8251 0.6250 0.6814 -0.0946 0.0049 -0.0063 277 SER b CA +30474 C C . SER T 276 ? 0.8580 0.6537 0.7113 -0.0958 0.0081 -0.0047 277 SER b C +30475 O O . SER T 276 ? 0.9011 0.6927 0.7531 -0.1001 0.0103 -0.0054 277 SER b O +30476 C CB . SER T 276 ? 0.8341 0.6409 0.6979 -0.0988 0.0045 -0.0086 277 SER b CB +30477 O OG . SER T 276 ? 0.9283 0.7433 0.7988 -0.0995 0.0054 -0.0084 277 SER b OG +30478 N N . SER T 277 ? 0.8278 0.6243 0.6798 -0.0921 0.0084 -0.0027 278 SER b N +30479 C CA . SER T 277 ? 0.8721 0.6643 0.7207 -0.0927 0.0113 -0.0011 278 SER b CA +30480 C C . SER T 277 ? 0.9446 0.7409 0.7984 -0.0976 0.0136 -0.0020 278 SER b C +30481 O O . SER T 277 ? 0.8692 0.6596 0.7193 -0.1003 0.0165 -0.0015 278 SER b O +30482 C CB . SER T 277 ? 0.8608 0.6409 0.6996 -0.0926 0.0126 -0.0002 278 SER b CB +30483 O OG . SER T 277 ? 0.9116 0.6885 0.7460 -0.0878 0.0106 0.0008 278 SER b OG +30484 N N . TYR T 278 ? 0.6964 0.5030 0.5589 -0.0984 0.0123 -0.0034 279 TYR b N +30485 C CA . TYR T 278 ? 0.8655 0.6774 0.7342 -0.1030 0.0141 -0.0047 279 TYR b CA +30486 C C . TYR T 278 ? 0.9650 0.7761 0.8328 -0.1036 0.0172 -0.0032 279 TYR b C +30487 O O . TYR T 278 ? 0.8781 0.6872 0.7460 -0.1078 0.0200 -0.0038 279 TYR b O +30488 C CB . TYR T 278 ? 0.6882 0.5116 0.5661 -0.1025 0.0118 -0.0061 279 TYR b CB +30489 C CG . TYR T 278 ? 0.9264 0.7571 0.8120 -0.1065 0.0132 -0.0076 279 TYR b CG +30490 C CD1 . TYR T 278 ? 0.8087 0.6400 0.6971 -0.1111 0.0136 -0.0099 279 TYR b CD1 +30491 C CD2 . TYR T 278 ? 0.8603 0.6982 0.7510 -0.1055 0.0139 -0.0070 279 TYR b CD2 +30492 C CE1 . TYR T 278 ? 0.8599 0.6987 0.7560 -0.1147 0.0147 -0.0114 279 TYR b CE1 +30493 C CE2 . TYR T 278 ? 0.7480 0.5931 0.6461 -0.1089 0.0152 -0.0085 279 TYR b CE2 +30494 C CZ . TYR T 278 ? 0.8406 0.6863 0.7416 -0.1135 0.0156 -0.0107 279 TYR b CZ +30495 O OH . TYR T 278 ? 0.8337 0.6869 0.7424 -0.1170 0.0167 -0.0123 279 TYR b OH +30496 N N . PHE T 279 ? 0.8390 0.6520 0.7062 -0.0994 0.0166 -0.0015 280 PHE b N +30497 C CA . PHE T 279 ? 0.7977 0.6100 0.6638 -0.0996 0.0193 -0.0001 280 PHE b CA +30498 C C . PHE T 279 ? 0.8489 0.6498 0.7053 -0.0995 0.0214 0.0016 280 PHE b C +30499 O O . PHE T 279 ? 0.8277 0.6255 0.6821 -0.1018 0.0245 0.0022 280 PHE b O +30500 C CB . PHE T 279 ? 0.8102 0.6287 0.6791 -0.0953 0.0179 0.0012 280 PHE b CB +30501 C CG . PHE T 279 ? 0.8291 0.6587 0.7073 -0.0953 0.0161 -0.0003 280 PHE b CG +30502 C CD1 . PHE T 279 ? 0.7988 0.6349 0.6834 -0.0982 0.0178 -0.0012 280 PHE b CD1 +30503 C CD2 . PHE T 279 ? 0.7697 0.6031 0.6500 -0.0923 0.0128 -0.0006 280 PHE b CD2 +30504 C CE1 . PHE T 279 ? 0.7003 0.5466 0.5934 -0.0980 0.0159 -0.0025 280 PHE b CE1 +30505 C CE2 . PHE T 279 ? 0.7094 0.5526 0.5978 -0.0921 0.0111 -0.0019 280 PHE b CE2 +30506 C CZ . PHE T 279 ? 0.6809 0.5306 0.5757 -0.0949 0.0126 -0.0028 280 PHE b CZ +30507 N N . GLN T 280 ? 0.8060 0.6002 0.6561 -0.0966 0.0198 0.0022 281 GLN b N +30508 C CA . GLN T 280 ? 0.8407 0.6236 0.6812 -0.0962 0.0216 0.0038 281 GLN b CA +30509 C C . GLN T 280 ? 0.9678 0.7446 0.8058 -0.1015 0.0244 0.0029 281 GLN b C +30510 O O . GLN T 280 ? 0.8577 0.6268 0.6894 -0.1026 0.0271 0.0041 281 GLN b O +30511 C CB . GLN T 280 ? 0.8198 0.5970 0.6544 -0.0921 0.0193 0.0045 281 GLN b CB +30512 C CG . GLN T 280 ? 0.8840 0.6492 0.7082 -0.0911 0.0209 0.0061 281 GLN b CG +30513 C CD . GLN T 280 ? 0.8968 0.6561 0.7152 -0.0874 0.0187 0.0065 281 GLN b CD +30514 O OE1 . GLN T 280 ? 1.1166 0.8770 0.9367 -0.0880 0.0170 0.0051 281 GLN b OE1 +30515 N NE2 . GLN T 280 ? 1.0125 0.7658 0.8241 -0.0836 0.0187 0.0084 281 GLN b NE2 +30516 N N . GLN T 281 ? 0.8481 0.6283 0.6909 -0.1050 0.0237 0.0007 282 GLN b N +30517 C CA . GLN T 281 ? 0.8791 0.6537 0.7199 -0.1104 0.0262 -0.0005 282 GLN b CA +30518 C C . GLN T 281 ? 0.9027 0.6808 0.7474 -0.1143 0.0294 -0.0007 282 GLN b C +30519 O O . GLN T 281 ? 0.9365 0.7075 0.7768 -0.1179 0.0326 -0.0005 282 GLN b O +30520 C CB . GLN T 281 ? 0.8689 0.6466 0.7140 -0.1128 0.0243 -0.0029 282 GLN b CB +30521 C CG . GLN T 281 ? 1.0070 0.7785 0.8465 -0.1103 0.0219 -0.0029 282 GLN b CG +30522 C CD . GLN T 281 ? 1.3575 1.1331 1.2018 -0.1124 0.0197 -0.0054 282 GLN b CD +30523 O OE1 . GLN T 281 ? 1.4468 1.2293 1.2984 -0.1163 0.0202 -0.0072 282 GLN b OE1 +30524 N NE2 . GLN T 281 ? 1.4093 1.1810 1.2497 -0.1098 0.0173 -0.0056 282 GLN b NE2 +30525 N N . GLU T 282 ? 0.8118 0.6007 0.6648 -0.1137 0.0288 -0.0011 283 GLU b N +30526 C CA . GLU T 282 ? 0.8998 0.6923 0.7566 -0.1169 0.0320 -0.0012 283 GLU b CA +30527 C C . GLU T 282 ? 0.9559 0.7422 0.8059 -0.1151 0.0344 0.0012 283 GLU b C +30528 O O . GLU T 282 ? 1.0016 0.7843 0.8497 -0.1186 0.0379 0.0015 283 GLU b O +30529 C CB . GLU T 282 ? 0.8683 0.6738 0.7355 -0.1163 0.0306 -0.0023 283 GLU b CB +30530 C CG . GLU T 282 ? 0.9292 0.7397 0.8011 -0.1193 0.0337 -0.0025 283 GLU b CG +30531 C CD . GLU T 282 ? 1.0574 0.8670 0.9315 -0.1256 0.0365 -0.0043 283 GLU b CD +30532 O OE1 . GLU T 282 ? 1.0168 0.8221 0.8891 -0.1280 0.0358 -0.0055 283 GLU b OE1 +30533 O OE2 . GLU T 282 ? 1.0658 0.8790 0.9435 -0.1284 0.0394 -0.0046 283 GLU b OE2 +30534 N N . ILE T 283 ? 0.9080 0.6932 0.7546 -0.1097 0.0324 0.0029 284 ILE b N +30535 C CA . ILE T 283 ? 0.9403 0.7189 0.7797 -0.1076 0.0342 0.0052 284 ILE b CA +30536 C C . ILE T 283 ? 1.0291 0.7951 0.8591 -0.1097 0.0366 0.0059 284 ILE b C +30537 O O . ILE T 283 ? 0.9569 0.7179 0.7827 -0.1116 0.0399 0.0069 284 ILE b O +30538 C CB . ILE T 283 ? 0.7908 0.5699 0.6278 -0.1014 0.0313 0.0067 284 ILE b CB +30539 C CG1 . ILE T 283 ? 0.9350 0.7259 0.7806 -0.0993 0.0295 0.0064 284 ILE b CG1 +30540 C CG2 . ILE T 283 ? 0.7851 0.5554 0.6130 -0.0989 0.0327 0.0090 284 ILE b CG2 +30541 C CD1 . ILE T 283 ? 0.7682 0.5609 0.6130 -0.0938 0.0261 0.0073 284 ILE b CD1 +30542 N N . ASN T 284 ? 0.9902 0.7508 0.8165 -0.1095 0.0349 0.0054 285 ASN b N +30543 C CA . ASN T 284 ? 1.1138 0.8619 0.9308 -0.1114 0.0369 0.0060 285 ASN b CA +30544 C C . ASN T 284 ? 1.0816 0.8283 0.9002 -0.1179 0.0404 0.0047 285 ASN b C +30545 O O . ASN T 284 ? 0.9216 0.6595 0.7333 -0.1198 0.0436 0.0058 285 ASN b O +30546 C CB . ASN T 284 ? 0.9772 0.7207 0.7908 -0.1098 0.0343 0.0054 285 ASN b CB +30547 C CG . ASN T 284 ? 1.2223 0.9627 1.0307 -0.1034 0.0318 0.0071 285 ASN b CG +30548 O OD1 . ASN T 284 ? 1.1949 0.9345 1.0005 -0.1004 0.0323 0.0089 285 ASN b OD1 +30549 N ND2 . ASN T 284 ? 1.1968 0.9356 1.0039 -0.1013 0.0290 0.0064 285 ASN b ND2 +30550 N N . ARG T 285 ? 0.9567 0.7122 0.7845 -0.1213 0.0400 0.0024 286 ARG b N +30551 C CA . ARG T 285 ? 0.9318 0.6877 0.7625 -0.1276 0.0434 0.0011 286 ARG b CA +30552 C C . ARG T 285 ? 1.0293 0.7857 0.8597 -0.1287 0.0469 0.0023 286 ARG b C +30553 O O . ARG T 285 ? 1.0041 0.7541 0.8305 -0.1328 0.0506 0.0025 286 ARG b O +30554 C CB . ARG T 285 ? 1.0988 0.8660 0.9405 -0.1303 0.0418 -0.0016 286 ARG b CB +30555 C CG . ARG T 285 ? 1.1905 0.9590 1.0362 -0.1370 0.0450 -0.0033 286 ARG b CG +30556 C CD . ARG T 285 ? 1.1749 0.9569 1.0328 -0.1389 0.0437 -0.0057 286 ARG b CD +30557 N NE . ARG T 285 ? 1.2366 1.0271 1.0998 -0.1369 0.0442 -0.0050 286 ARG b NE +30558 C CZ . ARG T 285 ? 1.3248 1.1170 1.1900 -0.1398 0.0479 -0.0048 286 ARG b CZ +30559 N NH1 . ARG T 285 ? 1.4191 1.2050 1.2811 -0.1449 0.0516 -0.0051 286 ARG b NH1 +30560 N NH2 . ARG T 285 ? 1.1604 0.9607 1.0306 -0.1376 0.0480 -0.0043 286 ARG b NH2 +30561 N N . ARG T 286 ? 1.1036 0.8675 0.9380 -0.1252 0.0459 0.0031 287 ARG b N +30562 C CA . ARG T 286 ? 0.9658 0.7310 0.8004 -0.1261 0.0491 0.0042 287 ARG b CA +30563 C C . ARG T 286 ? 1.1036 0.8568 0.9268 -0.1245 0.0512 0.0066 287 ARG b C +30564 O O . ARG T 286 ? 1.0432 0.7930 0.8637 -0.1273 0.0550 0.0073 287 ARG b O +30565 C CB . ARG T 286 ? 1.0352 0.8113 0.8769 -0.1226 0.0472 0.0043 287 ARG b CB +30566 C CG . ARG T 286 ? 1.0186 0.8073 0.8722 -0.1254 0.0470 0.0020 287 ARG b CG +30567 C CD . ARG T 286 ? 0.8539 0.6526 0.7139 -0.1209 0.0435 0.0019 287 ARG b CD +30568 N NE . ARG T 286 ? 1.1849 0.9928 1.0522 -0.1216 0.0448 0.0015 287 ARG b NE +30569 C CZ . ARG T 286 ? 1.1927 1.0115 1.0700 -0.1226 0.0434 -0.0005 287 ARG b CZ +30570 N NH1 . ARG T 286 ? 1.1582 0.9805 1.0396 -0.1232 0.0407 -0.0022 287 ARG b NH1 +30571 N NH2 . ARG T 286 ? 1.2814 1.1079 1.1646 -0.1229 0.0448 -0.0007 287 ARG b NH2 +30572 N N . VAL T 287 ? 1.0953 0.8419 0.9115 -0.1201 0.0488 0.0079 288 VAL b N +30573 C CA . VAL T 287 ? 1.0788 0.8139 0.8838 -0.1180 0.0503 0.0103 288 VAL b CA +30574 C C . VAL T 287 ? 1.1831 0.9067 0.9807 -0.1221 0.0531 0.0103 288 VAL b C +30575 O O . VAL T 287 ? 1.2028 0.9183 0.9932 -0.1232 0.0563 0.0117 288 VAL b O +30576 C CB . VAL T 287 ? 1.1393 0.8723 0.9402 -0.1116 0.0465 0.0116 288 VAL b CB +30577 C CG1 . VAL T 287 ? 1.0700 0.7897 0.8585 -0.1094 0.0476 0.0137 288 VAL b CG1 +30578 C CG2 . VAL T 287 ? 0.9822 0.7247 0.7886 -0.1076 0.0446 0.0121 288 VAL b CG2 +30579 N N . GLN T 288 ? 1.1235 0.8458 0.9223 -0.1244 0.0519 0.0086 289 GLN b N +30580 C CA . GLN T 288 ? 1.1973 0.9090 0.9896 -0.1289 0.0548 0.0084 289 GLN b CA +30581 C C . GLN T 288 ? 1.1310 0.8443 0.9263 -0.1347 0.0592 0.0078 289 GLN b C +30582 O O . GLN T 288 ? 1.2216 0.9249 1.0092 -0.1372 0.0627 0.0088 289 GLN b O +30583 C CB . GLN T 288 ? 1.0197 0.7309 0.8140 -0.1309 0.0528 0.0064 289 GLN b CB +30584 C CG . GLN T 288 ? 1.3033 1.0155 1.0969 -0.1256 0.0482 0.0064 289 GLN b CG +30585 C CD . GLN T 288 ? 1.5539 1.2541 1.3360 -0.1214 0.0476 0.0085 289 GLN b CD +30586 O OE1 . GLN T 288 ? 1.6156 1.3072 1.3898 -0.1213 0.0503 0.0103 289 GLN b OE1 +30587 N NE2 . GLN T 288 ? 1.5993 1.2989 1.3802 -0.1176 0.0440 0.0083 289 GLN b NE2 +30588 N N . ALA T 289 ? 1.1153 0.8411 0.9219 -0.1369 0.0591 0.0060 290 ALA b N +30589 C CA . ALA T 289 ? 1.2379 0.9664 1.0483 -0.1424 0.0633 0.0053 290 ALA b CA +30590 C C . ALA T 289 ? 1.3083 1.0321 1.1127 -0.1412 0.0664 0.0075 290 ALA b C +30591 O O . ALA T 289 ? 1.3365 1.0540 1.1367 -0.1453 0.0707 0.0079 290 ALA b O +30592 C CB . ALA T 289 ? 0.9998 0.7434 0.8235 -0.1438 0.0622 0.0031 290 ALA b CB +30593 N N . SER T 290 ? 1.4322 1.1586 1.2356 -0.1355 0.0644 0.0091 291 SER b N +30594 C CA . SER T 290 ? 1.2105 0.9321 1.0077 -0.1339 0.0669 0.0113 291 SER b CA +30595 C C . SER T 290 ? 1.2376 0.9437 1.0214 -0.1335 0.0686 0.0132 291 SER b C +30596 O O . SER T 290 ? 1.2418 0.9415 1.0197 -0.1352 0.0724 0.0145 291 SER b O +30597 C CB . SER T 290 ? 1.0549 0.7825 0.8538 -0.1278 0.0639 0.0124 291 SER b CB +30598 O OG . SER T 290 ? 1.2345 0.9750 1.0441 -0.1286 0.0638 0.0111 291 SER b OG +30599 N N . LEU T 291 ? 1.1402 0.8401 0.9190 -0.1311 0.0658 0.0134 292 LEU b N +30600 C CA . LEU T 291 ? 1.3655 1.0504 1.1315 -0.1305 0.0672 0.0151 292 LEU b CA +30601 C C . LEU T 291 ? 1.4667 1.1445 1.2299 -0.1371 0.0713 0.0143 292 LEU b C +30602 O O . LEU T 291 ? 1.4019 1.0690 1.1558 -0.1384 0.0746 0.0159 292 LEU b O +30603 C CB . LEU T 291 ? 1.1080 0.7886 0.8698 -0.1260 0.0631 0.0154 292 LEU b CB +30604 C CG . LEU T 291 ? 1.0994 0.7838 0.8610 -0.1190 0.0595 0.0167 292 LEU b CG +30605 C CD1 . LEU T 291 ? 1.1878 0.8670 0.9445 -0.1149 0.0560 0.0170 292 LEU b CD1 +30606 C CD2 . LEU T 291 ? 0.9880 0.6671 0.7424 -0.1167 0.0614 0.0191 292 LEU b CD2 +30607 N N . ALA T 292 ? 1.4325 1.1166 1.2039 -0.1415 0.0710 0.0119 293 ALA b N +30608 C CA . ALA T 292 ? 1.2842 0.9632 1.0546 -0.1484 0.0748 0.0107 293 ALA b CA +30609 C C . ALA T 292 ? 1.2941 0.9729 1.0644 -0.1521 0.0797 0.0113 293 ALA b C +30610 O O . ALA T 292 ? 1.6117 1.2820 1.3768 -0.1570 0.0837 0.0114 293 ALA b O +30611 C CB . ALA T 292 ? 1.1746 0.8631 0.9558 -0.1520 0.0732 0.0077 293 ALA b CB +30612 N N . SER T 293 ? 1.1746 0.8628 0.9507 -0.1501 0.0797 0.0116 294 SER b N +30613 C CA . SER T 293 ? 1.3843 1.0719 1.1594 -0.1529 0.0844 0.0124 294 SER b CA +30614 C C . SER T 293 ? 1.3320 1.0111 1.0965 -0.1484 0.0852 0.0154 294 SER b C +30615 O O . SER T 293 ? 1.3761 1.0577 1.1411 -0.1485 0.0878 0.0162 294 SER b O +30616 C CB . SER T 293 ? 1.2302 0.9332 1.0181 -0.1541 0.0846 0.0108 294 SER b CB +30617 O OG . SER T 293 ? 1.4746 1.1849 1.2657 -0.1481 0.0809 0.0115 294 SER b OG +30618 N N . GLY T 294 ? 1.4625 1.1319 1.2176 -0.1441 0.0828 0.0169 295 GLY b N +30619 C CA . GLY T 294 ? 1.5486 1.2078 1.2921 -0.1404 0.0837 0.0197 295 GLY b CA +30620 C C . GLY T 294 ? 1.4703 1.1358 1.2155 -0.1347 0.0815 0.0208 295 GLY b C +30621 O O . GLY T 294 ? 1.3950 1.0541 1.1323 -0.1327 0.0833 0.0229 295 GLY b O +30622 N N . ALA T 295 ? 1.4403 1.1180 1.1953 -0.1320 0.0777 0.0196 296 ALA b N +30623 C CA . ALA T 295 ? 1.3502 1.0329 1.1058 -0.1262 0.0750 0.0208 296 ALA b CA +30624 C C . ALA T 295 ? 1.0284 0.7030 0.7753 -0.1204 0.0717 0.0224 296 ALA b C +30625 O O . ALA T 295 ? 1.2750 0.9437 1.0185 -0.1205 0.0703 0.0221 296 ALA b O +30626 C CB . ALA T 295 ? 1.2058 0.9039 0.9746 -0.1253 0.0722 0.0190 296 ALA b CB +30627 N N . THR T 296 ? 1.1083 0.7825 0.8515 -0.1154 0.0703 0.0241 297 THR b N +30628 C CA . THR T 296 ? 1.3136 0.9821 1.0500 -0.1095 0.0667 0.0254 297 THR b CA +30629 C C . THR T 296 ? 1.2489 0.9275 0.9941 -0.1067 0.0621 0.0240 297 THR b C +30630 O O . THR T 296 ? 1.1340 0.8239 0.8901 -0.1089 0.0616 0.0222 297 THR b O +30631 C CB . THR T 296 ? 1.1032 0.7684 0.8330 -0.1049 0.0664 0.0275 297 THR b CB +30632 O OG1 . THR T 296 ? 1.2356 0.9131 0.9741 -0.1026 0.0646 0.0270 297 THR b OG1 +30633 C CG2 . THR T 296 ? 1.3315 0.9884 1.0539 -0.1079 0.0712 0.0287 297 THR b CG2 +30634 N N . LEU T 297 ? 1.1081 0.7823 0.8483 -0.1018 0.0586 0.0248 298 LEU b N +30635 C CA . LEU T 297 ? 1.1151 0.7984 0.8626 -0.0984 0.0542 0.0238 298 LEU b CA +30636 C C . LEU T 297 ? 1.2357 0.9305 0.9909 -0.0961 0.0529 0.0237 298 LEU b C +30637 O O . LEU T 297 ? 1.0664 0.7723 0.8318 -0.0967 0.0512 0.0221 298 LEU b O +30638 C CB . LEU T 297 ? 1.1051 0.7810 0.8449 -0.0931 0.0512 0.0250 298 LEU b CB +30639 C CG . LEU T 297 ? 1.2824 0.9601 1.0252 -0.0921 0.0481 0.0237 298 LEU b CG +30640 C CD1 . LEU T 297 ? 1.0830 0.7632 0.8315 -0.0980 0.0496 0.0216 298 LEU b CD1 +30641 C CD2 . LEU T 297 ? 1.1618 0.8277 0.8939 -0.0886 0.0469 0.0249 298 LEU b CD2 +30642 N N . GLU T 298 ? 1.1081 0.8002 0.8582 -0.0934 0.0536 0.0254 299 GLU b N +30643 C CA . GLU T 298 ? 1.1185 0.8207 0.8750 -0.0910 0.0522 0.0254 299 GLU b CA +30644 C C . GLU T 298 ? 1.2185 0.9297 0.9841 -0.0956 0.0547 0.0240 299 GLU b C +30645 O O . GLU T 298 ? 1.1503 0.8728 0.9251 -0.0946 0.0529 0.0230 299 GLU b O +30646 C CB . GLU T 298 ? 1.0248 0.7211 0.7730 -0.0875 0.0528 0.0275 299 GLU b CB +30647 C CG . GLU T 298 ? 1.3339 1.0197 1.0719 -0.0833 0.0508 0.0290 299 GLU b CG +30648 C CD . GLU T 298 ? 1.6887 1.3690 1.4186 -0.0795 0.0509 0.0309 299 GLU b CD +30649 O OE1 . GLU T 298 ? 1.6782 1.3634 1.4108 -0.0798 0.0521 0.0311 299 GLU b OE1 +30650 O OE2 . GLU T 298 ? 1.8428 1.5138 1.5636 -0.0761 0.0496 0.0322 299 GLU b OE2 +30651 N N . GLU T 299 ? 1.1139 0.8203 0.8773 -0.1007 0.0589 0.0238 300 GLU b N +30652 C CA . GLU T 299 ? 1.2310 0.9461 1.0033 -0.1053 0.0614 0.0222 300 GLU b CA +30653 C C . GLU T 299 ? 0.9694 0.6930 0.7516 -0.1076 0.0596 0.0200 300 GLU b C +30654 O O . GLU T 299 ? 1.0252 0.7600 0.8173 -0.1088 0.0594 0.0186 300 GLU b O +30655 C CB . GLU T 299 ? 1.2697 0.9772 1.0369 -0.1104 0.0665 0.0225 300 GLU b CB +30656 C CG . GLU T 299 ? 1.5219 1.2219 1.2801 -0.1089 0.0688 0.0246 300 GLU b CG +30657 C CD . GLU T 299 ? 1.4790 1.1694 1.2306 -0.1139 0.0739 0.0251 300 GLU b CD +30658 O OE1 . GLU T 299 ? 1.2940 0.9802 1.0448 -0.1176 0.0750 0.0243 300 GLU b OE1 +30659 O OE2 . GLU T 299 ? 1.7875 1.4745 1.5343 -0.1141 0.0768 0.0263 300 GLU b OE2 +30660 N N . ALA T 300 ? 1.0508 0.7693 0.8303 -0.1081 0.0583 0.0195 301 ALA b N +30661 C CA . ALA T 300 ? 1.0447 0.7700 0.8327 -0.1109 0.0570 0.0173 301 ALA b CA +30662 C C . ALA T 300 ? 1.2048 0.9402 1.0002 -0.1068 0.0526 0.0166 301 ALA b C +30663 O O . ALA T 300 ? 0.9756 0.7212 0.7809 -0.1086 0.0517 0.0148 301 ALA b O +30664 C CB . ALA T 300 ? 0.9730 0.6891 0.7554 -0.1127 0.0571 0.0170 301 ALA b CB +30665 N N . TRP T 301 ? 0.9996 0.7320 0.7901 -0.1013 0.0498 0.0180 302 TRP b N +30666 C CA . TRP T 301 ? 1.0725 0.8139 0.8693 -0.0973 0.0458 0.0176 302 TRP b CA +30667 C C . TRP T 301 ? 1.1103 0.8609 0.9133 -0.0963 0.0459 0.0176 302 TRP b C +30668 O O . TRP T 301 ? 0.9029 0.6638 0.7147 -0.0955 0.0437 0.0165 302 TRP b O +30669 C CB . TRP T 301 ? 1.0020 0.7372 0.7916 -0.0919 0.0429 0.0191 302 TRP b CB +30670 C CG . TRP T 301 ? 1.0713 0.8020 0.8588 -0.0921 0.0413 0.0184 302 TRP b CG +30671 C CD1 . TRP T 301 ? 1.0633 0.7822 0.8415 -0.0926 0.0424 0.0191 302 TRP b CD1 +30672 C CD2 . TRP T 301 ? 1.0320 0.7698 0.8266 -0.0919 0.0385 0.0167 302 TRP b CD2 +30673 N NE1 . TRP T 301 ? 1.0073 0.7255 0.7864 -0.0926 0.0403 0.0180 302 TRP b NE1 +30674 C CE2 . TRP T 301 ? 1.0220 0.7517 0.8111 -0.0922 0.0380 0.0165 302 TRP b CE2 +30675 C CE3 . TRP T 301 ? 0.9149 0.6646 0.7195 -0.0913 0.0364 0.0155 302 TRP b CE3 +30676 C CZ2 . TRP T 301 ? 0.9887 0.7222 0.7822 -0.0920 0.0354 0.0150 302 TRP b CZ2 +30677 C CZ3 . TRP T 301 ? 1.0015 0.7548 0.8102 -0.0911 0.0339 0.0141 302 TRP b CZ3 +30678 C CH2 . TRP T 301 ? 0.9767 0.7220 0.7799 -0.0915 0.0334 0.0139 302 TRP b CH2 +30679 N N . SER T 302 ? 0.9971 0.7440 0.7955 -0.0963 0.0485 0.0189 303 SER b N +30680 C CA . SER T 302 ? 0.9170 0.6723 0.7209 -0.0953 0.0487 0.0190 303 SER b CA +30681 C C . SER T 302 ? 0.8894 0.6541 0.7032 -0.0995 0.0503 0.0171 303 SER b C +30682 O O . SER T 302 ? 1.0138 0.7873 0.8340 -0.0985 0.0497 0.0166 303 SER b O +30683 C CB . SER T 302 ? 0.9193 0.6681 0.7156 -0.0948 0.0515 0.0207 303 SER b CB +30684 O OG . SER T 302 ? 0.9783 0.7189 0.7655 -0.0904 0.0499 0.0225 303 SER b OG +30685 N N . ALA T 303 ? 1.0433 0.8064 0.8585 -0.1043 0.0523 0.0158 304 ALA b N +30686 C CA . ALA T 303 ? 0.9452 0.7175 0.7702 -0.1084 0.0537 0.0138 304 ALA b CA +30687 C C . ALA T 303 ? 1.0320 0.8131 0.8655 -0.1077 0.0501 0.0121 304 ALA b C +30688 O O . ALA T 303 ? 0.9583 0.7482 0.8008 -0.1105 0.0506 0.0103 304 ALA b O +30689 C CB . ALA T 303 ? 0.9388 0.7056 0.7617 -0.1142 0.0575 0.0131 304 ALA b CB +30690 N N . ILE T 304 ? 0.9075 0.6863 0.7385 -0.1041 0.0466 0.0125 305 ILE b N +30691 C CA . ILE T 304 ? 0.9517 0.7386 0.7901 -0.1028 0.0430 0.0111 305 ILE b CA +30692 C C . ILE T 304 ? 0.9137 0.7105 0.7587 -0.0999 0.0413 0.0111 305 ILE b C +30693 O O . ILE T 304 ? 0.9783 0.7737 0.8196 -0.0957 0.0401 0.0126 305 ILE b O +30694 C CB . ILE T 304 ? 0.9227 0.7039 0.7557 -0.0996 0.0400 0.0118 305 ILE b CB +30695 C CG1 . ILE T 304 ? 0.9346 0.7058 0.7612 -0.1027 0.0418 0.0117 305 ILE b CG1 +30696 C CG2 . ILE T 304 ? 0.8712 0.6607 0.7116 -0.0979 0.0363 0.0104 305 ILE b CG2 +30697 C CD1 . ILE T 304 ? 0.9234 0.6983 0.7561 -0.1078 0.0428 0.0095 305 ILE b CD1 +30698 N N . PRO T 305 ? 0.8860 0.6928 0.7406 -0.1018 0.0410 0.0093 306 PRO b N +30699 C CA . PRO T 305 ? 0.9052 0.7212 0.7660 -0.0990 0.0393 0.0092 306 PRO b CA +30700 C C . PRO T 305 ? 0.8438 0.6610 0.7040 -0.0941 0.0352 0.0099 306 PRO b C +30701 O O . PRO T 305 ? 0.8525 0.6681 0.7122 -0.0937 0.0331 0.0093 306 PRO b O +30702 C CB . PRO T 305 ? 0.8473 0.6730 0.7182 -0.1022 0.0394 0.0070 306 PRO b CB +30703 C CG . PRO T 305 ? 0.9076 0.7290 0.7774 -0.1072 0.0418 0.0060 306 PRO b CG +30704 C CD . PRO T 305 ? 0.8352 0.6452 0.6953 -0.1064 0.0418 0.0072 306 PRO b CD +30705 N N . GLU T 306 ? 0.9063 0.7264 0.7667 -0.0905 0.0342 0.0109 307 GLU b N +30706 C CA . GLU T 306 ? 0.8919 0.7137 0.7522 -0.0859 0.0305 0.0115 307 GLU b CA +30707 C C . GLU T 306 ? 0.8178 0.6474 0.6857 -0.0859 0.0278 0.0099 307 GLU b C +30708 O O . GLU T 306 ? 0.8654 0.6942 0.7322 -0.0833 0.0250 0.0101 307 GLU b O +30709 C CB . GLU T 306 ? 0.8582 0.6830 0.7187 -0.0826 0.0299 0.0126 307 GLU b CB +30710 C CG . GLU T 306 ? 1.1131 0.9295 0.9644 -0.0802 0.0307 0.0146 307 GLU b CG +30711 C CD . GLU T 306 ? 1.2685 1.0884 1.1204 -0.0763 0.0292 0.0155 307 GLU b CD +30712 O OE1 . GLU T 306 ? 1.2248 1.0519 1.0826 -0.0768 0.0297 0.0149 307 GLU b OE1 +30713 O OE2 . GLU T 306 ? 1.0147 0.8301 0.8610 -0.0728 0.0276 0.0168 307 GLU b OE2 +30714 N N . LYS T 307 ? 0.7465 0.5838 0.6222 -0.0886 0.0286 0.0084 308 LYS b N +30715 C CA . LYS T 307 ? 0.7588 0.6037 0.6419 -0.0887 0.0261 0.0068 308 LYS b CA +30716 C C . LYS T 307 ? 0.8435 0.6844 0.7247 -0.0902 0.0251 0.0059 308 LYS b C +30717 O O . LYS T 307 ? 0.7689 0.6123 0.6521 -0.0883 0.0221 0.0054 308 LYS b O +30718 C CB . LYS T 307 ? 0.7596 0.6126 0.6507 -0.0915 0.0275 0.0052 308 LYS b CB +30719 C CG . LYS T 307 ? 0.8765 0.7380 0.7756 -0.0916 0.0250 0.0035 308 LYS b CG +30720 C CD . LYS T 307 ? 0.7800 0.6499 0.6869 -0.0936 0.0263 0.0022 308 LYS b CD +30721 C CE . LYS T 307 ? 0.7826 0.6613 0.6971 -0.0925 0.0234 0.0007 308 LYS b CE +30722 N NZ . LYS T 307 ? 0.7102 0.5971 0.6325 -0.0946 0.0246 -0.0008 308 LYS b NZ +30723 N N . LEU T 308 ? 0.9992 0.8334 0.8763 -0.0937 0.0277 0.0058 309 LEU b N +30724 C CA . LEU T 308 ? 0.7941 0.6237 0.6689 -0.0954 0.0270 0.0050 309 LEU b CA +30725 C C . LEU T 308 ? 0.8410 0.6637 0.7086 -0.0917 0.0251 0.0064 309 LEU b C +30726 O O . LEU T 308 ? 0.8141 0.6369 0.6822 -0.0908 0.0226 0.0057 309 LEU b O +30727 C CB . LEU T 308 ? 0.7519 0.5757 0.6237 -0.1002 0.0306 0.0046 309 LEU b CB +30728 C CG . LEU T 308 ? 0.8378 0.6561 0.7068 -0.1025 0.0302 0.0037 309 LEU b CG +30729 C CD1 . LEU T 308 ? 0.7865 0.6125 0.6630 -0.1032 0.0275 0.0016 309 LEU b CD1 +30730 C CD2 . LEU T 308 ? 0.8275 0.6403 0.6938 -0.1075 0.0339 0.0033 309 LEU b CD2 +30731 N N . ALA T 309 ? 0.7787 0.5956 0.6397 -0.0894 0.0260 0.0083 310 ALA b N +30732 C CA . ALA T 309 ? 0.8276 0.6384 0.6820 -0.0855 0.0241 0.0096 310 ALA b CA +30733 C C . ALA T 309 ? 0.9293 0.7466 0.7879 -0.0817 0.0206 0.0095 310 ALA b C +30734 O O . ALA T 309 ? 0.8072 0.6216 0.6630 -0.0794 0.0185 0.0097 310 ALA b O +30735 C CB . ALA T 309 ? 0.8007 0.6054 0.6482 -0.0834 0.0255 0.0116 310 ALA b CB +30736 N N . PHE T 310 ? 0.7420 0.5680 0.6073 -0.0809 0.0200 0.0092 311 PHE b N +30737 C CA . PHE T 310 ? 0.7551 0.5872 0.6242 -0.0773 0.0168 0.0092 311 PHE b CA +30738 C C . PHE T 310 ? 0.8318 0.6673 0.7048 -0.0779 0.0147 0.0077 311 PHE b C +30739 O O . PHE T 310 ? 0.7511 0.5878 0.6241 -0.0748 0.0121 0.0079 311 PHE b O +30740 C CB . PHE T 310 ? 0.7674 0.6074 0.6424 -0.0767 0.0170 0.0092 311 PHE b CB +30741 C CG . PHE T 310 ? 0.7664 0.6115 0.6439 -0.0726 0.0142 0.0096 311 PHE b CG +30742 C CD1 . PHE T 310 ? 0.7419 0.5828 0.6142 -0.0689 0.0128 0.0110 311 PHE b CD1 +30743 C CD2 . PHE T 310 ? 0.7286 0.5827 0.6137 -0.0725 0.0130 0.0087 311 PHE b CD2 +30744 C CE1 . PHE T 310 ? 0.7088 0.5546 0.5837 -0.0654 0.0103 0.0115 311 PHE b CE1 +30745 C CE2 . PHE T 310 ? 0.7275 0.5860 0.6149 -0.0689 0.0106 0.0092 311 PHE b CE2 +30746 C CZ . PHE T 310 ? 0.6816 0.5360 0.5639 -0.0654 0.0093 0.0105 311 PHE b CZ +30747 N N . TYR T 311 ? 0.7899 0.6269 0.6663 -0.0820 0.0158 0.0061 312 TYR b N +30748 C CA . TYR T 311 ? 0.7396 0.5787 0.6188 -0.0828 0.0138 0.0045 312 TYR b CA +30749 C C . TYR T 311 ? 0.8027 0.6337 0.6751 -0.0817 0.0129 0.0050 312 TYR b C +30750 O O . TYR T 311 ? 0.8073 0.6397 0.6809 -0.0807 0.0106 0.0041 312 TYR b O +30751 C CB . TYR T 311 ? 0.7204 0.5623 0.6043 -0.0876 0.0152 0.0027 312 TYR b CB +30752 C CG . TYR T 311 ? 0.7206 0.5721 0.6128 -0.0887 0.0154 0.0017 312 TYR b CG +30753 C CD1 . TYR T 311 ? 0.8126 0.6715 0.7098 -0.0858 0.0128 0.0015 312 TYR b CD1 +30754 C CD2 . TYR T 311 ? 0.7811 0.6342 0.6761 -0.0926 0.0181 0.0009 312 TYR b CD2 +30755 C CE1 . TYR T 311 ? 0.6812 0.5487 0.5859 -0.0866 0.0129 0.0006 312 TYR b CE1 +30756 C CE2 . TYR T 311 ? 0.7285 0.5907 0.6313 -0.0934 0.0183 -0.0001 312 TYR b CE2 +30757 C CZ . TYR T 311 ? 0.7119 0.5811 0.6195 -0.0903 0.0156 -0.0003 312 TYR b CZ +30758 O OH . TYR T 311 ? 0.7700 0.6478 0.6850 -0.0910 0.0157 -0.0013 312 TYR b OH +30759 N N . ASP T 312 ? 0.7651 0.5875 0.6301 -0.0816 0.0147 0.0062 313 ASP b N +30760 C CA . ASP T 312 ? 0.7952 0.6090 0.6531 -0.0807 0.0141 0.0066 313 ASP b CA +30761 C C . ASP T 312 ? 0.7822 0.5941 0.6363 -0.0756 0.0123 0.0081 313 ASP b C +30762 O O . ASP T 312 ? 0.8274 0.6312 0.6740 -0.0740 0.0129 0.0094 313 ASP b O +30763 C CB . ASP T 312 ? 0.7495 0.5545 0.6012 -0.0836 0.0171 0.0070 313 ASP b CB +30764 C CG . ASP T 312 ? 0.8541 0.6504 0.6993 -0.0838 0.0167 0.0069 313 ASP b CG +30765 O OD1 . ASP T 312 ? 0.8008 0.5991 0.6482 -0.0836 0.0146 0.0056 313 ASP b OD1 +30766 O OD2 . ASP T 312 ? 0.8493 0.6365 0.6869 -0.0839 0.0184 0.0080 313 ASP b OD2 +30767 N N . TYR T 313 ? 0.7584 0.5778 0.6176 -0.0730 0.0100 0.0080 314 TYR b N +30768 C CA . TYR T 313 ? 0.6964 0.5157 0.5533 -0.0682 0.0083 0.0094 314 TYR b CA +30769 C C . TYR T 313 ? 0.7618 0.5870 0.6231 -0.0664 0.0055 0.0085 314 TYR b C +30770 O O . TYR T 313 ? 0.7129 0.5454 0.5809 -0.0678 0.0049 0.0074 314 TYR b O +30771 C CB . TYR T 313 ? 0.7679 0.5905 0.6261 -0.0668 0.0090 0.0105 314 TYR b CB +30772 C CG . TYR T 313 ? 0.7404 0.5664 0.5993 -0.0623 0.0068 0.0115 314 TYR b CG +30773 C CD1 . TYR T 313 ? 0.6672 0.4878 0.5202 -0.0589 0.0058 0.0126 314 TYR b CD1 +30774 C CD2 . TYR T 313 ? 0.7342 0.5687 0.5997 -0.0614 0.0058 0.0113 314 TYR b CD2 +30775 C CE1 . TYR T 313 ? 0.6702 0.4942 0.5243 -0.0549 0.0040 0.0134 314 TYR b CE1 +30776 C CE2 . TYR T 313 ? 0.7546 0.5922 0.6208 -0.0575 0.0040 0.0121 314 TYR b CE2 +30777 C CZ . TYR T 313 ? 0.7400 0.5723 0.6005 -0.0544 0.0030 0.0132 314 TYR b CZ +30778 O OH . TYR T 313 ? 0.7577 0.5931 0.6191 -0.0507 0.0013 0.0139 314 TYR b OH +30779 N N . ILE T 314 ? 0.7252 0.5469 0.5826 -0.0633 0.0039 0.0091 315 ILE b N +30780 C CA . ILE T 314 ? 0.7359 0.5618 0.5964 -0.0619 0.0016 0.0082 315 ILE b CA +30781 C C . ILE T 314 ? 0.8019 0.6362 0.6681 -0.0596 0.0001 0.0084 315 ILE b C +30782 O O . ILE T 314 ? 0.7314 0.5709 0.6019 -0.0592 -0.0016 0.0075 315 ILE b O +30783 C CB . ILE T 314 ? 0.7980 0.6176 0.6525 -0.0591 0.0005 0.0086 315 ILE b CB +30784 C CG1 . ILE T 314 ? 0.7003 0.5215 0.5567 -0.0596 -0.0012 0.0071 315 ILE b CG1 +30785 C CG2 . ILE T 314 ? 0.7242 0.5447 0.5772 -0.0545 -0.0007 0.0101 315 ILE b CG2 +30786 C CD1 . ILE T 314 ? 0.7523 0.5682 0.6032 -0.0565 -0.0024 0.0075 315 ILE b CD1 +30787 N N . GLY T 315 ? 0.6826 0.5181 0.5488 -0.0581 0.0007 0.0097 316 GLY b N +30788 C CA . GLY T 315 ? 0.6421 0.4854 0.5137 -0.0564 -0.0004 0.0099 316 GLY b CA +30789 C C . GLY T 315 ? 0.7395 0.5897 0.6180 -0.0590 -0.0003 0.0087 316 GLY b C +30790 O O . GLY T 315 ? 0.7770 0.6338 0.6602 -0.0576 -0.0016 0.0086 316 GLY b O +30791 N N . ASN T 316 ? 0.7405 0.5895 0.6198 -0.0628 0.0011 0.0076 317 ASN b N +30792 C CA . ASN T 316 ? 0.7915 0.6474 0.6776 -0.0653 0.0010 0.0062 317 ASN b CA +30793 C C . ASN T 316 ? 0.7393 0.5961 0.6272 -0.0667 -0.0004 0.0046 317 ASN b C +30794 O O . ASN T 316 ? 0.7452 0.6075 0.6386 -0.0689 -0.0006 0.0032 317 ASN b O +30795 C CB . ASN T 316 ? 0.7278 0.5834 0.6149 -0.0686 0.0036 0.0059 317 ASN b CB +30796 C CG . ASN T 316 ? 0.8417 0.6974 0.7277 -0.0671 0.0048 0.0074 317 ASN b CG +30797 O OD1 . ASN T 316 ? 0.8185 0.6787 0.7069 -0.0644 0.0035 0.0079 317 ASN b OD1 +30798 N ND2 . ASN T 316 ? 0.7673 0.6179 0.6495 -0.0689 0.0073 0.0079 317 ASN b ND2 +30799 N N . ASN T 317 ? 0.6864 0.5381 0.5696 -0.0653 -0.0013 0.0047 318 ASN b N +30800 C CA . ASN T 317 ? 0.6861 0.5381 0.5702 -0.0662 -0.0029 0.0033 318 ASN b CA +30801 C C . ASN T 317 ? 0.7501 0.6086 0.6383 -0.0636 -0.0053 0.0031 318 ASN b C +30802 O O . ASN T 317 ? 0.7813 0.6394 0.6675 -0.0601 -0.0062 0.0043 318 ASN b O +30803 C CB . ASN T 317 ? 0.6748 0.5183 0.5517 -0.0654 -0.0029 0.0036 318 ASN b CB +30804 C CG . ASN T 317 ? 0.7051 0.5480 0.5820 -0.0660 -0.0045 0.0021 318 ASN b CG +30805 O OD1 . ASN T 317 ? 0.7172 0.5662 0.5991 -0.0664 -0.0060 0.0010 318 ASN b OD1 +30806 N ND2 . ASN T 317 ? 0.7184 0.5534 0.5891 -0.0661 -0.0042 0.0021 318 ASN b ND2 +30807 N N . PRO T 318 ? 0.7177 0.5819 0.6113 -0.0652 -0.0064 0.0016 319 PRO b N +30808 C CA . PRO T 318 ? 0.6722 0.5425 0.5696 -0.0628 -0.0086 0.0015 319 PRO b CA +30809 C C . PRO T 318 ? 0.6685 0.5362 0.5625 -0.0602 -0.0103 0.0016 319 PRO b C +30810 O O . PRO T 318 ? 0.6783 0.5503 0.5746 -0.0579 -0.0119 0.0018 319 PRO b O +30811 C CB . PRO T 318 ? 0.6620 0.5380 0.5653 -0.0654 -0.0092 -0.0004 319 PRO b CB +30812 C CG . PRO T 318 ? 0.7524 0.6242 0.6541 -0.0692 -0.0079 -0.0015 319 PRO b CG +30813 C CD . PRO T 318 ? 0.7837 0.6492 0.6803 -0.0694 -0.0056 -0.0001 319 PRO b CD +30814 N N . ALA T 319 ? 0.6534 0.5141 0.5419 -0.0604 -0.0099 0.0016 320 ALA b N +30815 C CA . ALA T 319 ? 0.7216 0.5795 0.6065 -0.0580 -0.0114 0.0016 320 ALA b CA +30816 C C . ALA T 319 ? 0.6923 0.5462 0.5725 -0.0547 -0.0110 0.0033 320 ALA b C +30817 O O . ALA T 319 ? 0.7087 0.5584 0.5847 -0.0528 -0.0117 0.0035 320 ALA b O +30818 C CB . ALA T 319 ? 0.6966 0.5491 0.5782 -0.0602 -0.0115 0.0002 320 ALA b CB +30819 N N . LYS T 320 ? 0.6791 0.5344 0.5601 -0.0538 -0.0100 0.0046 321 LYS b N +30820 C CA . LYS T 320 ? 0.6907 0.5430 0.5678 -0.0505 -0.0098 0.0062 321 LYS b CA +30821 C C . LYS T 320 ? 0.7535 0.6116 0.6339 -0.0477 -0.0108 0.0071 321 LYS b C +30822 O O . LYS T 320 ? 0.6763 0.5330 0.5544 -0.0451 -0.0106 0.0084 321 LYS b O +30823 C CB . LYS T 320 ? 0.7372 0.5850 0.6112 -0.0515 -0.0078 0.0071 321 LYS b CB +30824 C CG . LYS T 320 ? 0.7578 0.5978 0.6265 -0.0534 -0.0067 0.0066 321 LYS b CG +30825 C CD . LYS T 320 ? 0.7315 0.5662 0.5947 -0.0506 -0.0075 0.0070 321 LYS b CD +30826 C CE . LYS T 320 ? 0.6954 0.5291 0.5562 -0.0469 -0.0075 0.0087 321 LYS b CE +30827 N NZ . LYS T 320 ? 0.6635 0.4934 0.5199 -0.0438 -0.0085 0.0090 321 LYS b NZ +30828 N N . GLY T 321 ? 0.6560 0.5205 0.5416 -0.0480 -0.0119 0.0064 322 GLY b N +30829 C CA . GLY T 321 ? 0.6896 0.5596 0.5785 -0.0457 -0.0128 0.0072 322 GLY b CA +30830 C C . GLY T 321 ? 0.6611 0.5317 0.5490 -0.0429 -0.0142 0.0073 322 GLY b C +30831 O O . GLY T 321 ? 0.6302 0.4964 0.5141 -0.0420 -0.0145 0.0071 322 GLY b O +30832 N N . GLY T 322 ? 0.7050 0.5810 0.5965 -0.0413 -0.0151 0.0078 323 GLY b N +30833 C CA . GLY T 322 ? 0.6477 0.5251 0.5389 -0.0387 -0.0163 0.0080 323 GLY b CA +30834 C C . GLY T 322 ? 0.7057 0.5895 0.6018 -0.0386 -0.0173 0.0078 323 GLY b C +30835 O O . GLY T 322 ? 0.6941 0.5813 0.5936 -0.0395 -0.0169 0.0080 323 GLY b O +30836 N N . LEU T 323 ? 0.6650 0.5501 0.5611 -0.0372 -0.0185 0.0075 324 LEU b N +30837 C CA . LEU T 323 ? 0.6487 0.5392 0.5489 -0.0372 -0.0196 0.0071 324 LEU b CA +30838 C C . LEU T 323 ? 0.7026 0.5971 0.6057 -0.0359 -0.0194 0.0083 324 LEU b C +30839 O O . LEU T 323 ? 0.6859 0.5845 0.5928 -0.0367 -0.0197 0.0081 324 LEU b O +30840 C CB . LEU T 323 ? 0.5954 0.4857 0.4942 -0.0358 -0.0208 0.0067 324 LEU b CB +30841 C CG . LEU T 323 ? 0.7893 0.6845 0.6914 -0.0354 -0.0221 0.0065 324 LEU b CG +30842 C CD1 . LEU T 323 ? 0.6946 0.5928 0.6005 -0.0378 -0.0226 0.0054 324 LEU b CD1 +30843 C CD2 . LEU T 323 ? 0.6442 0.5380 0.5438 -0.0340 -0.0231 0.0061 324 LEU b CD2 +30844 N N . PHE T 324 ? 0.6769 0.5701 0.5780 -0.0338 -0.0188 0.0094 325 PHE b N +30845 C CA . PHE T 324 ? 0.6440 0.5408 0.5476 -0.0326 -0.0187 0.0105 325 PHE b CA +30846 C C . PHE T 324 ? 0.7568 0.6524 0.6600 -0.0329 -0.0175 0.0112 325 PHE b C +30847 O O . PHE T 324 ? 0.6575 0.5551 0.5618 -0.0315 -0.0174 0.0121 325 PHE b O +30848 C CB . PHE T 324 ? 0.6486 0.5459 0.5511 -0.0299 -0.0191 0.0112 325 PHE b CB +30849 C CG . PHE T 324 ? 0.6693 0.5681 0.5723 -0.0295 -0.0201 0.0107 325 PHE b CG +30850 C CD1 . PHE T 324 ? 0.7837 0.6868 0.6902 -0.0297 -0.0208 0.0106 325 PHE b CD1 +30851 C CD2 . PHE T 324 ? 0.6780 0.5738 0.5778 -0.0288 -0.0204 0.0102 325 PHE b CD2 +30852 C CE1 . PHE T 324 ? 0.7104 0.6147 0.6170 -0.0291 -0.0218 0.0102 325 PHE b CE1 +30853 C CE2 . PHE T 324 ? 0.6843 0.5813 0.5841 -0.0282 -0.0214 0.0097 325 PHE b CE2 +30854 C CZ . PHE T 324 ? 0.6306 0.5319 0.5338 -0.0285 -0.0221 0.0098 325 PHE b CZ +30855 N N . ARG T 325 ? 0.6717 0.5638 0.5731 -0.0346 -0.0167 0.0108 326 ARG b N +30856 C CA . ARG T 325 ? 0.6601 0.5512 0.5612 -0.0352 -0.0156 0.0113 326 ARG b CA +30857 C C . ARG T 325 ? 0.6397 0.5346 0.5450 -0.0372 -0.0153 0.0108 326 ARG b C +30858 O O . ARG T 325 ? 0.7101 0.6045 0.6160 -0.0396 -0.0149 0.0099 326 ARG b O +30859 C CB . ARG T 325 ? 0.6702 0.5554 0.5669 -0.0362 -0.0146 0.0112 326 ARG b CB +30860 C CG . ARG T 325 ? 0.6859 0.5670 0.5783 -0.0342 -0.0149 0.0115 326 ARG b CG +30861 C CD . ARG T 325 ? 0.6265 0.5014 0.5145 -0.0352 -0.0139 0.0114 326 ARG b CD +30862 N NE . ARG T 325 ? 0.6312 0.5015 0.5146 -0.0333 -0.0142 0.0116 326 ARG b NE +30863 C CZ . ARG T 325 ? 0.7005 0.5649 0.5796 -0.0341 -0.0136 0.0112 326 ARG b CZ +30864 N NH1 . ARG T 325 ? 0.6391 0.5015 0.5179 -0.0370 -0.0126 0.0107 326 ARG b NH1 +30865 N NH2 . ARG T 325 ? 0.5641 0.4245 0.4391 -0.0320 -0.0138 0.0114 326 ARG b NH2 +30866 N N . THR T 326 ? 0.6932 0.5920 0.6013 -0.0364 -0.0155 0.0114 327 THR b N +30867 C CA . THR T 326 ? 0.6689 0.5718 0.5812 -0.0378 -0.0155 0.0109 327 THR b CA +30868 C C . THR T 326 ? 0.6280 0.5306 0.5408 -0.0391 -0.0142 0.0111 327 THR b C +30869 O O . THR T 326 ? 0.6547 0.5543 0.5646 -0.0385 -0.0133 0.0119 327 THR b O +30870 C CB . THR T 326 ? 0.7134 0.6207 0.6285 -0.0361 -0.0165 0.0113 327 THR b CB +30871 O OG1 . THR T 326 ? 0.7026 0.6097 0.6170 -0.0346 -0.0161 0.0124 327 THR b OG1 +30872 C CG2 . THR T 326 ? 0.7064 0.6137 0.6206 -0.0348 -0.0177 0.0112 327 THR b CG2 +30873 N N . GLY T 327 ? 0.6558 0.5615 0.5721 -0.0409 -0.0139 0.0103 328 GLY b N +30874 C CA . GLY T 327 ? 0.6255 0.5318 0.5429 -0.0420 -0.0126 0.0104 328 GLY b CA +30875 C C . GLY T 327 ? 0.7361 0.6395 0.6522 -0.0445 -0.0112 0.0098 328 GLY b C +30876 O O . GLY T 327 ? 0.6848 0.5863 0.5999 -0.0458 -0.0114 0.0090 328 GLY b O +30877 N N . PRO T 328 ? 0.7036 0.6067 0.6198 -0.0454 -0.0097 0.0101 329 PRO b N +30878 C CA . PRO T 328 ? 0.6308 0.5310 0.5457 -0.0480 -0.0081 0.0095 329 PRO b CA +30879 C C . PRO T 328 ? 0.7855 0.6792 0.6947 -0.0478 -0.0075 0.0101 329 PRO b C +30880 O O . PRO T 328 ? 0.6362 0.5277 0.5424 -0.0455 -0.0081 0.0112 329 PRO b O +30881 C CB . PRO T 328 ? 0.6309 0.5325 0.5470 -0.0486 -0.0066 0.0099 329 PRO b CB +30882 C CG . PRO T 328 ? 0.6902 0.5930 0.6061 -0.0459 -0.0075 0.0109 329 PRO b CG +30883 C CD . PRO T 328 ? 0.6413 0.5467 0.5589 -0.0443 -0.0095 0.0108 329 PRO b CD +30884 N N . MET T 329 ? 0.6347 0.5253 0.5424 -0.0503 -0.0063 0.0095 330 MET b N +30885 C CA . MET T 329 ? 0.6872 0.5709 0.5891 -0.0503 -0.0054 0.0100 330 MET b CA +30886 C C . MET T 329 ? 0.6442 0.5251 0.5427 -0.0489 -0.0045 0.0114 330 MET b C +30887 O O . MET T 329 ? 0.6642 0.5404 0.5580 -0.0473 -0.0047 0.0122 330 MET b O +30888 C CB . MET T 329 ? 0.6918 0.5728 0.5930 -0.0537 -0.0040 0.0091 330 MET b CB +30889 C CG . MET T 329 ? 0.7448 0.6279 0.6486 -0.0550 -0.0052 0.0077 330 MET b CG +30890 S SD . MET T 329 ? 0.7623 0.6441 0.6671 -0.0594 -0.0035 0.0062 330 MET b SD +30891 C CE . MET T 329 ? 0.6453 0.5189 0.5435 -0.0596 -0.0034 0.0064 330 MET b CE +30892 N N . ASN T 330 ? 0.6486 0.5323 0.5494 -0.0494 -0.0036 0.0116 331 ASN b N +30893 C CA . ASN T 330 ? 0.7091 0.5905 0.6068 -0.0479 -0.0029 0.0128 331 ASN b CA +30894 C C . ASN T 330 ? 0.7062 0.5878 0.6026 -0.0446 -0.0046 0.0137 331 ASN b C +30895 O O . ASN T 330 ? 0.7465 0.6249 0.6391 -0.0431 -0.0043 0.0147 331 ASN b O +30896 C CB . ASN T 330 ? 0.5932 0.4784 0.4942 -0.0488 -0.0018 0.0126 331 ASN b CB +30897 C CG . ASN T 330 ? 0.7099 0.5941 0.6114 -0.0520 0.0003 0.0119 331 ASN b CG +30898 O OD1 . ASN T 330 ? 0.6675 0.5466 0.5653 -0.0535 0.0014 0.0119 331 ASN b OD1 +30899 N ND2 . ASN T 330 ? 0.6168 0.5057 0.5227 -0.0532 0.0010 0.0113 331 ASN b ND2 +30900 N N . LYS T 331 ? 0.6825 0.5680 0.5820 -0.0434 -0.0063 0.0133 332 LYS b N +30901 C CA . LYS T 331 ? 0.7129 0.5990 0.6116 -0.0404 -0.0077 0.0141 332 LYS b CA +30902 C C . LYS T 331 ? 0.6723 0.5531 0.5660 -0.0391 -0.0080 0.0145 332 LYS b C +30903 O O . LYS T 331 ? 0.7572 0.6374 0.6492 -0.0366 -0.0089 0.0153 332 LYS b O +30904 C CB . LYS T 331 ? 0.7134 0.6049 0.6166 -0.0398 -0.0092 0.0136 332 LYS b CB +30905 C CG . LYS T 331 ? 0.8499 0.7428 0.7530 -0.0370 -0.0106 0.0143 332 LYS b CG +30906 C CD . LYS T 331 ? 0.7471 0.6413 0.6505 -0.0357 -0.0105 0.0151 332 LYS b CD +30907 C CE . LYS T 331 ? 0.8300 0.7246 0.7324 -0.0330 -0.0118 0.0158 332 LYS b CE +30908 N NZ . LYS T 331 ? 0.9352 0.8306 0.8374 -0.0316 -0.0120 0.0165 332 LYS b NZ +30909 N N . GLY T 332 ? 0.7416 0.6186 0.6331 -0.0408 -0.0073 0.0140 333 GLY b N +30910 C CA . GLY T 332 ? 0.5855 0.4571 0.4721 -0.0397 -0.0076 0.0143 333 GLY b CA +30911 C C . GLY T 332 ? 0.7121 0.5777 0.5933 -0.0396 -0.0063 0.0151 333 GLY b C +30912 O O . GLY T 332 ? 0.6980 0.5625 0.5770 -0.0372 -0.0067 0.0160 333 GLY b O +30913 N N . ASP T 333 ? 0.6544 0.5160 0.5334 -0.0422 -0.0048 0.0147 334 ASP b N +30914 C CA . ASP T 333 ? 0.7295 0.5846 0.6028 -0.0422 -0.0035 0.0155 334 ASP b CA +30915 C C . ASP T 333 ? 0.7058 0.5621 0.5795 -0.0424 -0.0025 0.0161 334 ASP b C +30916 O O . ASP T 333 ? 0.7983 0.6498 0.6671 -0.0413 -0.0019 0.0170 334 ASP b O +30917 C CB . ASP T 333 ? 0.6908 0.5408 0.5613 -0.0451 -0.0020 0.0148 334 ASP b CB +30918 C CG . ASP T 333 ? 0.7638 0.6177 0.6393 -0.0486 -0.0011 0.0136 334 ASP b CG +30919 O OD1 . ASP T 333 ? 0.7497 0.6102 0.6307 -0.0488 -0.0016 0.0133 334 ASP b OD1 +30920 O OD2 . ASP T 333 ? 0.7912 0.6416 0.6651 -0.0512 0.0000 0.0130 334 ASP b OD2 +30921 N N . GLY T 334 ? 0.6901 0.5524 0.5692 -0.0434 -0.0024 0.0156 335 GLY b N +30922 C CA . GLY T 334 ? 0.6588 0.5225 0.5384 -0.0435 -0.0015 0.0161 335 GLY b CA +30923 C C . GLY T 334 ? 0.6981 0.5634 0.5805 -0.0469 0.0004 0.0153 335 GLY b C +30924 O O . GLY T 334 ? 0.7525 0.6183 0.6367 -0.0492 0.0008 0.0144 335 GLY b O +30925 N N . ILE T 335 ? 0.6741 0.5405 0.5568 -0.0470 0.0014 0.0157 336 ILE b N +30926 C CA . ILE T 335 ? 0.6487 0.5162 0.5333 -0.0500 0.0035 0.0151 336 ILE b CA +30927 C C . ILE T 335 ? 0.7303 0.5905 0.6090 -0.0515 0.0056 0.0156 336 ILE b C +30928 O O . ILE T 335 ? 0.7692 0.6251 0.6429 -0.0500 0.0060 0.0167 336 ILE b O +30929 C CB . ILE T 335 ? 0.6780 0.5498 0.5655 -0.0494 0.0038 0.0153 336 ILE b CB +30930 C CG1 . ILE T 335 ? 0.6722 0.5503 0.5647 -0.0476 0.0016 0.0150 336 ILE b CG1 +30931 C CG2 . ILE T 335 ? 0.7214 0.5951 0.6116 -0.0525 0.0060 0.0145 336 ILE b CG2 +30932 C CD1 . ILE T 335 ? 0.6635 0.5450 0.5579 -0.0464 0.0015 0.0153 336 ILE b CD1 +30933 N N . ALA T 336 ? 0.7645 0.6232 0.6436 -0.0545 0.0070 0.0148 337 ALA b N +30934 C CA . ALA T 336 ? 0.7603 0.6116 0.6335 -0.0563 0.0091 0.0152 337 ALA b CA +30935 C C . ALA T 336 ? 0.8567 0.7070 0.7284 -0.0571 0.0113 0.0157 337 ALA b C +30936 O O . ALA T 336 ? 0.7325 0.5881 0.6092 -0.0587 0.0122 0.0150 337 ALA b O +30937 C CB . ALA T 336 ? 0.7218 0.5723 0.5965 -0.0597 0.0102 0.0140 337 ALA b CB +30938 N N . GLN T 337 ? 0.7839 0.6274 0.6487 -0.0561 0.0122 0.0169 338 GLN b N +30939 C CA . GLN T 337 ? 0.8291 0.6707 0.6912 -0.0565 0.0142 0.0175 338 GLN b CA +30940 C C . GLN T 337 ? 0.8909 0.7260 0.7485 -0.0596 0.0172 0.0176 338 GLN b C +30941 O O . GLN T 337 ? 0.8008 0.6371 0.6597 -0.0619 0.0196 0.0173 338 GLN b O +30942 C CB . GLN T 337 ? 0.7331 0.5716 0.5903 -0.0529 0.0129 0.0188 338 GLN b CB +30943 C CG . GLN T 337 ? 0.7881 0.6330 0.6498 -0.0501 0.0103 0.0188 338 GLN b CG +30944 C CD . GLN T 337 ? 0.9877 0.8391 0.8549 -0.0510 0.0109 0.0182 338 GLN b CD +30945 O OE1 . GLN T 337 ? 1.0692 0.9193 0.9343 -0.0512 0.0123 0.0186 338 GLN b OE1 +30946 N NE2 . GLN T 337 ? 0.8912 0.7494 0.7653 -0.0515 0.0098 0.0172 338 GLN b NE2 +30947 N N . ALA T 338 ? 0.7724 0.6007 0.6247 -0.0597 0.0173 0.0180 339 ALA b N +30948 C CA . ALA T 338 ? 0.8795 0.7008 0.7266 -0.0625 0.0202 0.0183 339 ALA b CA +30949 C C . ALA T 338 ? 0.8028 0.6180 0.6458 -0.0628 0.0197 0.0183 339 ALA b C +30950 O O . ALA T 338 ? 0.9154 0.7294 0.7566 -0.0598 0.0173 0.0187 339 ALA b O +30951 C CB . ALA T 338 ? 0.7383 0.5538 0.5785 -0.0611 0.0215 0.0197 339 ALA b CB +30952 N N . TRP T 339 ? 0.8614 0.6730 0.7031 -0.0666 0.0221 0.0178 340 TRP b N +30953 C CA . TRP T 339 ? 0.7638 0.5677 0.6001 -0.0672 0.0223 0.0179 340 TRP b CA +30954 C C . TRP T 339 ? 0.8850 0.6798 0.7118 -0.0650 0.0228 0.0196 340 TRP b C +30955 O O . TRP T 339 ? 0.8583 0.6501 0.6817 -0.0657 0.0250 0.0204 340 TRP b O +30956 C CB . TRP T 339 ? 0.7359 0.5384 0.5733 -0.0722 0.0250 0.0169 340 TRP b CB +30957 C CG . TRP T 339 ? 0.8702 0.6649 0.7024 -0.0735 0.0254 0.0168 340 TRP b CG +30958 C CD1 . TRP T 339 ? 0.8777 0.6701 0.7081 -0.0714 0.0230 0.0167 340 TRP b CD1 +30959 C CD2 . TRP T 339 ? 1.0112 0.7991 0.8392 -0.0774 0.0285 0.0167 340 TRP b CD2 +30960 N NE1 . TRP T 339 ? 0.8959 0.6804 0.7212 -0.0737 0.0244 0.0165 340 TRP b NE1 +30961 C CE2 . TRP T 339 ? 0.9552 0.7368 0.7789 -0.0775 0.0278 0.0165 340 TRP b CE2 +30962 C CE3 . TRP T 339 ? 0.8595 0.6461 0.6871 -0.0809 0.0320 0.0167 340 TRP b CE3 +30963 C CZ2 . TRP T 339 ? 0.9235 0.6972 0.7423 -0.0811 0.0303 0.0164 340 TRP b CZ2 +30964 C CZ3 . TRP T 339 ? 1.0353 0.8144 0.8582 -0.0845 0.0346 0.0166 340 TRP b CZ3 +30965 C CH2 . TRP T 339 ? 0.9246 0.6972 0.7432 -0.0846 0.0338 0.0164 340 TRP b CH2 +30966 N N . LYS T 340 ? 0.8639 0.6541 0.6863 -0.0622 0.0209 0.0201 341 LYS b N +30967 C CA . LYS T 340 ? 0.9053 0.6867 0.7185 -0.0597 0.0211 0.0217 341 LYS b CA +30968 C C . LYS T 340 ? 0.9641 0.7359 0.7704 -0.0625 0.0238 0.0220 341 LYS b C +30969 O O . LYS T 340 ? 0.9072 0.6709 0.7053 -0.0610 0.0246 0.0234 341 LYS b O +30970 C CB . LYS T 340 ? 0.8552 0.6356 0.6664 -0.0553 0.0179 0.0222 341 LYS b CB +30971 C CG . LYS T 340 ? 0.9310 0.7190 0.7467 -0.0519 0.0156 0.0224 341 LYS b CG +30972 C CD . LYS T 340 ? 0.9682 0.7550 0.7814 -0.0474 0.0127 0.0229 341 LYS b CD +30973 C CE . LYS T 340 ? 1.0359 0.8257 0.8492 -0.0440 0.0112 0.0237 341 LYS b CE +30974 N NZ . LYS T 340 ? 1.1469 0.9377 0.9598 -0.0397 0.0082 0.0240 341 LYS b NZ +30975 N N . GLY T 341 ? 0.8932 0.6656 0.7025 -0.0667 0.0253 0.0208 342 GLY b N +30976 C CA . GLY T 341 ? 0.8349 0.5982 0.6381 -0.0697 0.0277 0.0209 342 GLY b CA +30977 C C . GLY T 341 ? 0.9618 0.7212 0.7629 -0.0691 0.0262 0.0205 342 GLY b C +30978 O O . GLY T 341 ? 0.8905 0.6534 0.6939 -0.0659 0.0232 0.0202 342 GLY b O +30979 N N . HIS T 342 ? 0.8700 0.6219 0.6666 -0.0724 0.0284 0.0202 343 HIS b N +30980 C CA . HIS T 342 ? 0.8474 0.5949 0.6417 -0.0725 0.0273 0.0196 343 HIS b CA +30981 C C . HIS T 342 ? 0.9505 0.6884 0.7352 -0.0686 0.0263 0.0212 343 HIS b C +30982 O O . HIS T 342 ? 0.9078 0.6380 0.6851 -0.0684 0.0282 0.0225 343 HIS b O +30983 C CB . HIS T 342 ? 0.8359 0.5796 0.6299 -0.0780 0.0300 0.0186 343 HIS b CB +30984 C CG . HIS T 342 ? 1.0129 0.7515 0.8041 -0.0784 0.0289 0.0179 343 HIS b CG +30985 N ND1 . HIS T 342 ? 0.9196 0.6646 0.7173 -0.0787 0.0268 0.0163 343 HIS b ND1 +30986 C CD2 . HIS T 342 ? 1.0007 0.7280 0.7830 -0.0783 0.0297 0.0185 343 HIS b CD2 +30987 C CE1 . HIS T 342 ? 1.0048 0.7427 0.7977 -0.0789 0.0263 0.0159 343 HIS b CE1 +30988 N NE2 . HIS T 342 ? 1.0282 0.7554 0.8118 -0.0787 0.0281 0.0172 343 HIS b NE2 +30989 N N . ALA T 343 ? 0.8643 0.6029 0.6490 -0.0652 0.0234 0.0210 344 ALA b N +30990 C CA . ALA T 343 ? 0.9144 0.6449 0.6908 -0.0610 0.0221 0.0222 344 ALA b CA +30991 C C . ALA T 343 ? 0.9704 0.6911 0.7405 -0.0629 0.0232 0.0220 344 ALA b C +30992 O O . ALA T 343 ? 1.0256 0.7484 0.7995 -0.0656 0.0231 0.0205 344 ALA b O +30993 C CB . ALA T 343 ? 0.9837 0.7199 0.7634 -0.0563 0.0186 0.0221 344 ALA b CB +30994 N N . VAL T 344 ? 0.9332 0.6432 0.6935 -0.0616 0.0244 0.0233 345 VAL b N +30995 C CA . VAL T 344 ? 0.9062 0.6055 0.6591 -0.0629 0.0254 0.0233 345 VAL b CA +30996 C C . VAL T 344 ? 0.9499 0.6428 0.6955 -0.0573 0.0233 0.0245 345 VAL b C +30997 O O . VAL T 344 ? 0.9583 0.6486 0.6993 -0.0541 0.0231 0.0260 345 VAL b O +30998 C CB . VAL T 344 ? 0.9639 0.6550 0.7111 -0.0671 0.0292 0.0239 345 VAL b CB +30999 C CG1 . VAL T 344 ? 0.9729 0.6514 0.7107 -0.0676 0.0301 0.0242 345 VAL b CG1 +31000 C CG2 . VAL T 344 ? 0.9895 0.6871 0.7445 -0.0729 0.0313 0.0224 345 VAL b CG2 +31001 N N . PHE T 345 ? 0.8744 0.5651 0.6189 -0.0559 0.0216 0.0238 346 PHE b N +31002 C CA . PHE T 345 ? 1.0635 0.7487 0.8016 -0.0504 0.0195 0.0247 346 PHE b CA +31003 C C . PHE T 345 ? 0.9700 0.6415 0.6977 -0.0511 0.0210 0.0252 346 PHE b C +31004 O O . PHE T 345 ? 1.0247 0.6928 0.7522 -0.0554 0.0226 0.0241 346 PHE b O +31005 C CB . PHE T 345 ? 0.9686 0.6606 0.7122 -0.0476 0.0164 0.0236 346 PHE b CB +31006 C CG . PHE T 345 ? 0.9199 0.6248 0.6732 -0.0465 0.0148 0.0232 346 PHE b CG +31007 C CD1 . PHE T 345 ? 0.8262 0.5397 0.5882 -0.0505 0.0153 0.0218 346 PHE b CD1 +31008 C CD2 . PHE T 345 ? 0.8573 0.5658 0.6109 -0.0414 0.0126 0.0241 346 PHE b CD2 +31009 C CE1 . PHE T 345 ? 0.9305 0.6554 0.7010 -0.0494 0.0138 0.0215 346 PHE b CE1 +31010 C CE2 . PHE T 345 ? 0.9449 0.6648 0.7071 -0.0405 0.0112 0.0237 346 PHE b CE2 +31011 C CZ . PHE T 345 ? 0.8477 0.5756 0.6182 -0.0445 0.0118 0.0225 346 PHE b CZ +31012 N N A ARG T 346 ? 0.9415 0.6051 0.6606 -0.0469 0.0205 0.0267 347 ARG b N +31013 N N B ARG T 346 ? 0.9414 0.6051 0.6606 -0.0470 0.0205 0.0267 347 ARG b N +31014 C CA A ARG T 346 ? 1.0182 0.6679 0.7262 -0.0467 0.0218 0.0275 347 ARG b CA +31015 C CA B ARG T 346 ? 1.0167 0.6668 0.7253 -0.0468 0.0217 0.0273 347 ARG b CA +31016 C C A ARG T 346 ? 0.9570 0.6027 0.6596 -0.0402 0.0191 0.0283 347 ARG b C +31017 C C B ARG T 346 ? 0.9553 0.6015 0.6584 -0.0402 0.0190 0.0281 347 ARG b C +31018 O O A ARG T 346 ? 0.9924 0.6442 0.6977 -0.0359 0.0169 0.0288 347 ARG b O +31019 O O B ARG T 346 ? 0.9902 0.6428 0.6962 -0.0360 0.0168 0.0287 347 ARG b O +31020 C CB A ARG T 346 ? 1.0255 0.6678 0.7268 -0.0485 0.0247 0.0290 347 ARG b CB +31021 C CB B ARG T 346 ? 1.0390 0.6805 0.7404 -0.0493 0.0248 0.0287 347 ARG b CB +31022 C CG A ARG T 346 ? 1.0003 0.6463 0.7067 -0.0550 0.0277 0.0283 347 ARG b CG +31023 C CG B ARG T 346 ? 0.9489 0.5933 0.6550 -0.0561 0.0279 0.0278 347 ARG b CG +31024 C CD A ARG T 346 ? 0.9943 0.6327 0.6936 -0.0567 0.0307 0.0298 347 ARG b CD +31025 C CD B ARG T 346 ? 1.0107 0.6447 0.7083 -0.0588 0.0314 0.0291 347 ARG b CD +31026 N NE A ARG T 346 ? 0.9022 0.5431 0.6058 -0.0632 0.0340 0.0290 347 ARG b NE +31027 N NE B ARG T 346 ? 1.0359 0.6743 0.7391 -0.0649 0.0343 0.0284 347 ARG b NE +31028 C CZ A ARG T 346 ? 0.8145 0.4630 0.5238 -0.0650 0.0352 0.0291 347 ARG b CZ +31029 C CZ B ARG T 346 ? 1.1501 0.7862 0.8545 -0.0704 0.0365 0.0271 347 ARG b CZ +31030 N NH1 A ARG T 346 ? 0.9130 0.5665 0.6237 -0.0610 0.0335 0.0300 347 ARG b NH1 +31031 N NH1 B ARG T 346 ? 0.9633 0.5919 0.6631 -0.0708 0.0362 0.0266 347 ARG b NH1 +31032 N NH2 A ARG T 346 ? 0.9199 0.5709 0.6336 -0.0709 0.0381 0.0281 347 ARG b NH2 +31033 N NH2 B ARG T 346 ? 1.1990 0.8404 0.9092 -0.0756 0.0390 0.0264 347 ARG b NH2 +31034 N N . ASN T 347 ? 0.9582 0.5941 0.6537 -0.0394 0.0191 0.0281 348 ASN b N +31035 C CA . ASN T 347 ? 1.0411 0.6718 0.7302 -0.0331 0.0168 0.0290 348 ASN b CA +31036 C C . ASN T 347 ? 1.2150 0.8337 0.8927 -0.0316 0.0182 0.0308 348 ASN b C +31037 O O . ASN T 347 ? 1.0745 0.6901 0.7501 -0.0352 0.0208 0.0315 348 ASN b O +31038 C CB . ASN T 347 ? 1.0265 0.6532 0.7137 -0.0321 0.0157 0.0279 348 ASN b CB +31039 C CG . ASN T 347 ? 1.0830 0.6986 0.7636 -0.0366 0.0184 0.0276 348 ASN b CG +31040 O OD1 . ASN T 347 ? 1.1260 0.7354 0.8023 -0.0402 0.0211 0.0283 348 ASN b OD1 +31041 N ND2 . ASN T 347 ? 1.0602 0.6729 0.7398 -0.0365 0.0175 0.0264 348 ASN b ND2 +31042 N N . LYS T 348 ? 1.0496 0.6615 0.7200 -0.0260 0.0164 0.0316 349 LYS b N +31043 C CA . LYS T 348 ? 1.2379 0.8388 0.8974 -0.0235 0.0171 0.0334 349 LYS b CA +31044 C C . LYS T 348 ? 1.1122 0.7002 0.7631 -0.0278 0.0204 0.0338 349 LYS b C +31045 O O . LYS T 348 ? 1.3471 0.9279 0.9913 -0.0288 0.0224 0.0352 349 LYS b O +31046 C CB . LYS T 348 ? 1.0811 0.6784 0.7353 -0.0163 0.0142 0.0340 349 LYS b CB +31047 C CG . LYS T 348 ? 1.2249 0.8172 0.8766 -0.0152 0.0134 0.0330 349 LYS b CG +31048 C CD . LYS T 348 ? 1.3582 0.9469 1.0044 -0.0078 0.0106 0.0336 349 LYS b CD +31049 C CE . LYS T 348 ? 1.4086 1.0079 1.0607 -0.0034 0.0080 0.0340 349 LYS b CE +31050 N NZ . LYS T 348 ? 1.6403 1.2385 1.2894 0.0037 0.0050 0.0341 349 LYS b NZ +31051 N N . GLU T 349 ? 1.1889 0.7737 0.8399 -0.0307 0.0211 0.0326 350 GLU b N +31052 C CA . GLU T 349 ? 1.1148 0.6889 0.7596 -0.0360 0.0244 0.0325 350 GLU b CA +31053 C C . GLU T 349 ? 1.2309 0.8093 0.8809 -0.0426 0.0274 0.0322 350 GLU b C +31054 O O . GLU T 349 ? 1.3449 0.9149 0.9901 -0.0474 0.0304 0.0322 350 GLU b O +31055 C CB . GLU T 349 ? 1.1070 0.6785 0.7523 -0.0376 0.0241 0.0309 350 GLU b CB +31056 C CG . GLU T 349 ? 1.5961 1.1577 1.2323 -0.0324 0.0225 0.0314 350 GLU b CG +31057 C CD . GLU T 349 ? 1.7582 1.3268 1.3974 -0.0254 0.0188 0.0315 350 GLU b CD +31058 O OE1 . GLU T 349 ? 1.9654 1.5465 1.6150 -0.0252 0.0170 0.0302 350 GLU b OE1 +31059 O OE2 . GLU T 349 ? 1.7978 1.3596 1.4290 -0.0201 0.0177 0.0329 350 GLU b OE2 +31060 N N . GLY T 350 ? 1.2035 0.7950 0.8635 -0.0432 0.0268 0.0318 351 GLY b N +31061 C CA . GLY T 350 ? 1.2006 0.7968 0.8661 -0.0495 0.0296 0.0314 351 GLY b CA +31062 C C . GLY T 350 ? 1.1119 0.7133 0.7850 -0.0548 0.0304 0.0293 351 GLY b C +31063 O O . GLY T 350 ? 1.1990 0.8031 0.8761 -0.0604 0.0330 0.0287 351 GLY b O +31064 N N A GLU T 351 ? 1.0251 0.6275 0.7000 -0.0532 0.0282 0.0281 352 GLU b N +31065 N N B GLU T 351 ? 1.0245 0.6276 0.6999 -0.0531 0.0281 0.0281 352 GLU b N +31066 C CA A GLU T 351 ? 1.1164 0.7256 0.7996 -0.0576 0.0283 0.0260 352 GLU b CA +31067 C CA B GLU T 351 ? 1.1167 0.7259 0.7999 -0.0577 0.0283 0.0260 352 GLU b CA +31068 C C A GLU T 351 ? 1.1267 0.7513 0.8220 -0.0581 0.0272 0.0252 352 GLU b C +31069 C C B GLU T 351 ? 1.1271 0.7519 0.8227 -0.0581 0.0270 0.0251 352 GLU b C +31070 O O A GLU T 351 ? 1.0281 0.6593 0.7263 -0.0534 0.0248 0.0258 352 GLU b O +31071 O O B GLU T 351 ? 1.0494 0.6809 0.7481 -0.0532 0.0244 0.0255 352 GLU b O +31072 C CB A GLU T 351 ? 1.1086 0.7157 0.7906 -0.0550 0.0260 0.0249 352 GLU b CB +31073 C CB B GLU T 351 ? 1.1099 0.7154 0.7909 -0.0556 0.0264 0.0249 352 GLU b CB +31074 C CG A GLU T 351 ? 1.2114 0.8042 0.8812 -0.0520 0.0260 0.0259 352 GLU b CG +31075 C CG B GLU T 351 ? 1.2150 0.8285 0.9049 -0.0592 0.0257 0.0227 352 GLU b CG +31076 C CD A GLU T 351 ? 1.0757 0.6672 0.7451 -0.0497 0.0238 0.0246 352 GLU b CD +31077 C CD B GLU T 351 ? 1.1935 0.7980 0.8791 -0.0639 0.0276 0.0216 352 GLU b CD +31078 O OE1 A GLU T 351 ? 1.1283 0.7243 0.8038 -0.0537 0.0239 0.0228 352 GLU b OE1 +31079 O OE1 B GLU T 351 ? 1.3374 0.9390 1.0225 -0.0694 0.0306 0.0215 352 GLU b OE1 +31080 O OE2 A GLU T 351 ? 1.0555 0.6421 0.7191 -0.0440 0.0219 0.0254 352 GLU b OE2 +31081 O OE2 B GLU T 351 ? 1.2796 0.8801 0.9624 -0.0620 0.0260 0.0208 352 GLU b OE2 +31082 N N . GLU T 352 ? 1.1246 0.7552 0.8272 -0.0639 0.0288 0.0239 353 GLU b N +31083 C CA . GLU T 352 ? 1.0315 0.6766 0.7457 -0.0645 0.0276 0.0230 353 GLU b CA +31084 C C . GLU T 352 ? 1.1851 0.8372 0.9054 -0.0625 0.0246 0.0215 353 GLU b C +31085 O O . GLU T 352 ? 1.0099 0.6581 0.7288 -0.0642 0.0244 0.0203 353 GLU b O +31086 C CB . GLU T 352 ? 1.0295 0.6789 0.7495 -0.0712 0.0304 0.0219 353 GLU b CB +31087 C CG . GLU T 352 ? 1.1759 0.8400 0.9076 -0.0716 0.0293 0.0212 353 GLU b CG +31088 C CD . GLU T 352 ? 1.3372 1.0062 1.0752 -0.0781 0.0319 0.0200 353 GLU b CD +31089 O OE1 . GLU T 352 ? 1.4494 1.1109 1.1834 -0.0826 0.0346 0.0196 353 GLU b OE1 +31090 O OE2 . GLU T 352 ? 1.1904 0.8709 0.9376 -0.0787 0.0314 0.0194 353 GLU b OE2 +31091 N N . LEU T 353 ? 1.0209 0.6832 0.7476 -0.0589 0.0222 0.0216 354 LEU b N +31092 C CA . LEU T 353 ? 1.0397 0.7090 0.7721 -0.0566 0.0193 0.0203 354 LEU b CA +31093 C C . LEU T 353 ? 1.0290 0.7115 0.7729 -0.0592 0.0188 0.0191 354 LEU b C +31094 O O . LEU T 353 ? 1.0122 0.6998 0.7600 -0.0609 0.0200 0.0195 354 LEU b O +31095 C CB . LEU T 353 ? 1.0088 0.6787 0.7389 -0.0498 0.0166 0.0214 354 LEU b CB +31096 C CG . LEU T 353 ? 1.0350 0.6922 0.7537 -0.0465 0.0167 0.0226 354 LEU b CG +31097 C CD1 . LEU T 353 ? 1.0705 0.7300 0.7885 -0.0397 0.0137 0.0232 354 LEU b CD1 +31098 C CD2 . LEU T 353 ? 1.0179 0.6657 0.7311 -0.0490 0.0177 0.0217 354 LEU b CD2 +31099 N N . PHE T 354 ? 0.9867 0.6746 0.7360 -0.0593 0.0170 0.0175 355 PHE b N +31100 C CA . PHE T 354 ? 0.9473 0.6472 0.7072 -0.0617 0.0164 0.0162 355 PHE b CA +31101 C C . PHE T 354 ? 0.9627 0.6704 0.7275 -0.0575 0.0132 0.0158 355 PHE b C +31102 O O . PHE T 354 ? 0.8759 0.5804 0.6380 -0.0555 0.0118 0.0153 355 PHE b O +31103 C CB . PHE T 354 ? 0.9185 0.6180 0.6810 -0.0674 0.0176 0.0144 355 PHE b CB +31104 C CG . PHE T 354 ? 1.1424 0.8341 0.9001 -0.0718 0.0208 0.0147 355 PHE b CG +31105 C CD1 . PHE T 354 ? 0.9198 0.6164 0.6823 -0.0756 0.0229 0.0146 355 PHE b CD1 +31106 C CD2 . PHE T 354 ? 1.0915 0.7707 0.8398 -0.0722 0.0219 0.0150 355 PHE b CD2 +31107 C CE1 . PHE T 354 ? 1.2175 0.9069 0.9756 -0.0799 0.0261 0.0149 355 PHE b CE1 +31108 C CE2 . PHE T 354 ? 1.1418 0.8133 0.8853 -0.0765 0.0251 0.0153 355 PHE b CE2 +31109 C CZ . PHE T 354 ? 0.9814 0.6581 0.7299 -0.0804 0.0273 0.0153 355 PHE b CZ +31110 N N . VAL T 355 ? 0.9200 0.6378 0.6918 -0.0563 0.0123 0.0161 356 VAL b N +31111 C CA . VAL T 355 ? 0.9303 0.6563 0.7075 -0.0526 0.0096 0.0157 356 VAL b CA +31112 C C . VAL T 355 ? 0.8160 0.5474 0.5993 -0.0553 0.0087 0.0138 356 VAL b C +31113 O O . VAL T 355 ? 0.9764 0.7120 0.7647 -0.0597 0.0098 0.0128 356 VAL b O +31114 C CB . VAL T 355 ? 0.9478 0.6825 0.7305 -0.0508 0.0090 0.0165 356 VAL b CB +31115 C CG1 . VAL T 355 ? 0.8225 0.5647 0.6098 -0.0469 0.0062 0.0163 356 VAL b CG1 +31116 C CG2 . VAL T 355 ? 0.8818 0.6110 0.6582 -0.0484 0.0098 0.0184 356 VAL b CG2 +31117 N N . ARG T 356 ? 0.8041 0.5354 0.5867 -0.0526 0.0067 0.0132 357 ARG b N +31118 C CA . ARG T 356 ? 0.7583 0.4954 0.5467 -0.0544 0.0055 0.0114 357 ARG b CA +31119 C C . ARG T 356 ? 0.8840 0.6334 0.6818 -0.0542 0.0044 0.0111 357 ARG b C +31120 O O . ARG T 356 ? 0.7936 0.5476 0.5932 -0.0502 0.0030 0.0120 357 ARG b O +31121 C CB . ARG T 356 ? 0.8954 0.6292 0.6803 -0.0508 0.0037 0.0110 357 ARG b CB +31122 C CG . ARG T 356 ? 1.1153 0.8539 0.9050 -0.0523 0.0024 0.0092 357 ARG b CG +31123 C CD . ARG T 356 ? 0.9173 0.6541 0.7081 -0.0581 0.0038 0.0078 357 ARG b CD +31124 N NE . ARG T 356 ? 1.0966 0.8341 0.8888 -0.0592 0.0024 0.0060 357 ARG b NE +31125 C CZ . ARG T 356 ? 1.1304 0.8767 0.9301 -0.0608 0.0013 0.0047 357 ARG b CZ +31126 N NH1 . ARG T 356 ? 1.1324 0.8879 0.9392 -0.0610 0.0011 0.0051 357 ARG b NH1 +31127 N NH2 . ARG T 356 ? 0.9872 0.7328 0.7872 -0.0622 0.0002 0.0030 357 ARG b NH2 +31128 N N . ARG T 357 ? 0.7942 0.5489 0.5980 -0.0585 0.0050 0.0099 358 ARG b N +31129 C CA . ARG T 357 ? 0.7741 0.5399 0.5864 -0.0585 0.0041 0.0097 358 ARG b CA +31130 C C . ARG T 357 ? 0.8120 0.5839 0.6284 -0.0559 0.0016 0.0090 358 ARG b C +31131 O O . ARG T 357 ? 0.8490 0.6180 0.6634 -0.0558 0.0007 0.0079 358 ARG b O +31132 C CB . ARG T 357 ? 0.8454 0.6152 0.6630 -0.0637 0.0055 0.0086 358 ARG b CB +31133 C CG . ARG T 357 ? 0.7792 0.5475 0.5959 -0.0656 0.0079 0.0096 358 ARG b CG +31134 C CD . ARG T 357 ? 0.8560 0.6272 0.6773 -0.0711 0.0096 0.0082 358 ARG b CD +31135 N NE . ARG T 357 ? 0.8757 0.6466 0.6968 -0.0727 0.0119 0.0092 358 ARG b NE +31136 C CZ . ARG T 357 ? 0.9234 0.7003 0.7506 -0.0762 0.0132 0.0085 358 ARG b CZ +31137 N NH1 . ARG T 357 ? 0.8147 0.5986 0.6489 -0.0784 0.0122 0.0067 358 ARG b NH1 +31138 N NH2 . ARG T 357 ? 0.8197 0.5954 0.6457 -0.0773 0.0155 0.0095 358 ARG b NH2 +31139 N N . MET T 358 ? 0.7948 0.5751 0.6168 -0.0539 0.0006 0.0095 359 MET b N +31140 C CA . MET T 358 ? 0.7476 0.5344 0.5739 -0.0515 -0.0017 0.0089 359 MET b CA +31141 C C . MET T 358 ? 0.7080 0.4993 0.5394 -0.0550 -0.0022 0.0070 359 MET b C +31142 O O . MET T 358 ? 0.7674 0.5632 0.6036 -0.0582 -0.0013 0.0065 359 MET b O +31143 C CB . MET T 358 ? 0.7633 0.5578 0.5942 -0.0489 -0.0024 0.0099 359 MET b CB +31144 C CG . MET T 358 ? 0.7113 0.5137 0.5478 -0.0473 -0.0044 0.0093 359 MET b CG +31145 S SD . MET T 358 ? 0.7564 0.5672 0.5981 -0.0445 -0.0052 0.0104 359 MET b SD +31146 C CE . MET T 358 ? 0.6901 0.4978 0.5271 -0.0391 -0.0063 0.0115 359 MET b CE +31147 N N . PRO T 359 ? 0.6786 0.4690 0.5092 -0.0543 -0.0036 0.0060 360 PRO b N +31148 C CA . PRO T 359 ? 0.7354 0.5314 0.5715 -0.0568 -0.0047 0.0042 360 PRO b CA +31149 C C . PRO T 359 ? 0.8378 0.6435 0.6804 -0.0547 -0.0062 0.0044 360 PRO b C +31150 O O . PRO T 359 ? 0.7247 0.5318 0.5667 -0.0508 -0.0069 0.0056 360 PRO b O +31151 C CB . PRO T 359 ? 0.7338 0.5246 0.5656 -0.0561 -0.0057 0.0032 360 PRO b CB +31152 C CG . PRO T 359 ? 0.7910 0.5725 0.6146 -0.0537 -0.0048 0.0044 360 PRO b CG +31153 C CD . PRO T 359 ? 0.7552 0.5390 0.5794 -0.0512 -0.0043 0.0062 360 PRO b CD +31154 N N . ALA T 360 ? 0.6927 0.5049 0.5416 -0.0574 -0.0067 0.0032 361 ALA b N +31155 C CA . ALA T 360 ? 0.7693 0.5905 0.6244 -0.0559 -0.0079 0.0034 361 ALA b CA +31156 C C . ALA T 360 ? 0.7098 0.5326 0.5644 -0.0522 -0.0098 0.0035 361 ALA b C +31157 O O . ALA T 360 ? 0.7663 0.5950 0.6245 -0.0499 -0.0106 0.0042 361 ALA b O +31158 C CB . ALA T 360 ? 0.6853 0.5128 0.5469 -0.0593 -0.0083 0.0019 361 ALA b CB +31159 N N . PHE T 361 ? 0.7398 0.5574 0.5900 -0.0516 -0.0104 0.0028 362 PHE b N +31160 C CA . PHE T 361 ? 0.7490 0.5680 0.5986 -0.0482 -0.0120 0.0028 362 PHE b CA +31161 C C . PHE T 361 ? 0.7357 0.5545 0.5833 -0.0440 -0.0120 0.0045 362 PHE b C +31162 O O . PHE T 361 ? 0.7242 0.5471 0.5736 -0.0412 -0.0131 0.0047 362 PHE b O +31163 C CB . PHE T 361 ? 0.7504 0.5628 0.5949 -0.0485 -0.0125 0.0016 362 PHE b CB +31164 C CG . PHE T 361 ? 0.7690 0.5847 0.6163 -0.0500 -0.0140 -0.0001 362 PHE b CG +31165 C CD1 . PHE T 361 ? 0.8417 0.6643 0.6932 -0.0482 -0.0155 -0.0001 362 PHE b CD1 +31166 C CD2 . PHE T 361 ? 0.7790 0.5904 0.6243 -0.0531 -0.0141 -0.0017 362 PHE b CD2 +31167 C CE1 . PHE T 361 ? 0.8028 0.6282 0.6565 -0.0494 -0.0170 -0.0017 362 PHE b CE1 +31168 C CE2 . PHE T 361 ? 0.7460 0.5603 0.5937 -0.0545 -0.0157 -0.0034 362 PHE b CE2 +31169 C CZ . PHE T 361 ? 0.7772 0.5984 0.6289 -0.0525 -0.0172 -0.0034 362 PHE b CZ +31170 N N . PHE T 362 ? 0.6384 0.4526 0.4825 -0.0435 -0.0106 0.0056 363 PHE b N +31171 C CA . PHE T 362 ? 0.9052 0.7174 0.7460 -0.0394 -0.0106 0.0070 363 PHE b CA +31172 C C . PHE T 362 ? 0.7119 0.5300 0.5568 -0.0381 -0.0104 0.0083 363 PHE b C +31173 O O . PHE T 362 ? 0.7754 0.5937 0.6213 -0.0402 -0.0093 0.0087 363 PHE b O +31174 C CB . PHE T 362 ? 0.6599 0.4629 0.4937 -0.0393 -0.0094 0.0076 363 PHE b CB +31175 C CG . PHE T 362 ? 0.7947 0.5908 0.6234 -0.0395 -0.0096 0.0065 363 PHE b CG +31176 C CD1 . PHE T 362 ? 0.6760 0.4702 0.5048 -0.0435 -0.0093 0.0051 363 PHE b CD1 +31177 C CD2 . PHE T 362 ? 0.6676 0.4589 0.4910 -0.0358 -0.0099 0.0070 363 PHE b CD2 +31178 C CE1 . PHE T 362 ? 0.7880 0.5754 0.6118 -0.0439 -0.0095 0.0041 363 PHE b CE1 +31179 C CE2 . PHE T 362 ? 0.8189 0.6034 0.6372 -0.0360 -0.0101 0.0060 363 PHE b CE2 +31180 C CZ . PHE T 362 ? 0.7255 0.5079 0.5439 -0.0400 -0.0099 0.0046 363 PHE b CZ +31181 N N . GLU T 363 ? 0.8013 0.6237 0.6480 -0.0348 -0.0115 0.0089 364 GLU b N +31182 C CA . GLU T 363 ? 0.7278 0.5551 0.5776 -0.0332 -0.0114 0.0101 364 GLU b CA +31183 C C . GLU T 363 ? 0.7524 0.5745 0.5976 -0.0316 -0.0105 0.0113 364 GLU b C +31184 O O . GLU T 363 ? 0.7437 0.5680 0.5905 -0.0317 -0.0100 0.0121 364 GLU b O +31185 C CB . GLU T 363 ? 0.6794 0.5122 0.5321 -0.0301 -0.0127 0.0104 364 GLU b CB +31186 C CG . GLU T 363 ? 0.6045 0.4434 0.4623 -0.0313 -0.0136 0.0095 364 GLU b CG +31187 C CD . GLU T 363 ? 0.7283 0.5734 0.5918 -0.0334 -0.0135 0.0096 364 GLU b CD +31188 O OE1 . GLU T 363 ? 0.7212 0.5669 0.5853 -0.0333 -0.0128 0.0105 364 GLU b OE1 +31189 O OE2 . GLU T 363 ? 0.7551 0.6041 0.6222 -0.0351 -0.0141 0.0086 364 GLU b OE2 +31190 N N . SER T 364 ? 0.7569 0.5721 0.5961 -0.0300 -0.0104 0.0113 365 SER b N +31191 C CA . SER T 364 ? 0.8048 0.6141 0.6387 -0.0282 -0.0097 0.0124 365 SER b CA +31192 C C . SER T 364 ? 0.8334 0.6337 0.6610 -0.0295 -0.0090 0.0118 365 SER b C +31193 O O . SER T 364 ? 0.8079 0.6070 0.6352 -0.0308 -0.0093 0.0107 365 SER b O +31194 C CB . SER T 364 ? 0.6572 0.4677 0.4901 -0.0235 -0.0107 0.0132 365 SER b CB +31195 O OG . SER T 364 ? 0.7485 0.5560 0.5785 -0.0217 -0.0113 0.0126 365 SER b OG +31196 N N . PHE T 365 ? 0.8772 0.6708 0.6994 -0.0292 -0.0080 0.0127 366 PHE b N +31197 C CA . PHE T 365 ? 0.7935 0.5781 0.6096 -0.0309 -0.0070 0.0122 366 PHE b CA +31198 C C . PHE T 365 ? 0.7212 0.4986 0.5306 -0.0284 -0.0064 0.0135 366 PHE b C +31199 O O . PHE T 365 ? 0.7948 0.5737 0.6048 -0.0278 -0.0060 0.0145 366 PHE b O +31200 C CB . PHE T 365 ? 0.7106 0.4948 0.5284 -0.0360 -0.0057 0.0115 366 PHE b CB +31201 C CG . PHE T 365 ? 0.8005 0.5770 0.6136 -0.0385 -0.0050 0.0105 366 PHE b CG +31202 C CD1 . PHE T 365 ? 0.7811 0.5582 0.5950 -0.0389 -0.0060 0.0092 366 PHE b CD1 +31203 C CD2 . PHE T 365 ? 0.8846 0.6531 0.6923 -0.0405 -0.0032 0.0109 366 PHE b CD2 +31204 C CE1 . PHE T 365 ? 0.8140 0.5839 0.6235 -0.0413 -0.0054 0.0081 366 PHE b CE1 +31205 C CE2 . PHE T 365 ? 0.7582 0.5195 0.5616 -0.0430 -0.0025 0.0099 366 PHE b CE2 +31206 C CZ . PHE T 365 ? 0.8700 0.6320 0.6743 -0.0434 -0.0037 0.0085 366 PHE b CZ +31207 N N . PRO T 366 ? 0.7957 0.5649 0.5984 -0.0269 -0.0063 0.0133 367 PRO b N +31208 C CA . PRO T 366 ? 0.8047 0.5664 0.6005 -0.0245 -0.0058 0.0145 367 PRO b CA +31209 C C . PRO T 366 ? 0.9262 0.6827 0.7191 -0.0280 -0.0039 0.0150 367 PRO b C +31210 O O . PRO T 366 ? 0.8524 0.6101 0.6480 -0.0325 -0.0030 0.0142 367 PRO b O +31211 C CB . PRO T 366 ? 0.7343 0.4886 0.5239 -0.0225 -0.0061 0.0140 367 PRO b CB +31212 C CG . PRO T 366 ? 0.7931 0.5488 0.5853 -0.0255 -0.0063 0.0124 367 PRO b CG +31213 C CD . PRO T 366 ? 0.8293 0.5955 0.6302 -0.0274 -0.0068 0.0120 367 PRO b CD +31214 N N . VAL T 367 ? 0.8817 0.6328 0.6692 -0.0258 -0.0035 0.0163 368 VAL b N +31215 C CA . VAL T 367 ? 0.8185 0.5637 0.6020 -0.0286 -0.0016 0.0169 368 VAL b CA +31216 C C . VAL T 367 ? 0.9207 0.6543 0.6954 -0.0286 -0.0007 0.0170 368 VAL b C +31217 O O . VAL T 367 ? 0.8339 0.5621 0.6028 -0.0245 -0.0014 0.0177 368 VAL b O +31218 C CB . VAL T 367 ? 0.9233 0.6700 0.7064 -0.0263 -0.0016 0.0184 368 VAL b CB +31219 C CG1 . VAL T 367 ? 0.8660 0.6058 0.6442 -0.0291 0.0005 0.0192 368 VAL b CG1 +31220 C CG2 . VAL T 367 ? 0.8202 0.5782 0.6119 -0.0265 -0.0024 0.0183 368 VAL b CG2 +31221 N N . ILE T 368 ? 0.8474 0.5768 0.6209 -0.0332 0.0008 0.0161 369 ILE b N +31222 C CA . ILE T 368 ? 0.8015 0.5197 0.5669 -0.0339 0.0018 0.0159 369 ILE b CA +31223 C C . ILE T 368 ? 0.9415 0.6549 0.7047 -0.0388 0.0042 0.0161 369 ILE b C +31224 O O . ILE T 368 ? 0.8584 0.5776 0.6278 -0.0430 0.0050 0.0153 369 ILE b O +31225 C CB . ILE T 368 ? 0.9940 0.7120 0.7603 -0.0348 0.0009 0.0143 369 ILE b CB +31226 C CG1 . ILE T 368 ? 0.9057 0.6279 0.6735 -0.0297 -0.0013 0.0142 369 ILE b CG1 +31227 C CG2 . ILE T 368 ? 0.9178 0.6238 0.6757 -0.0362 0.0020 0.0139 369 ILE b CG2 +31228 C CD1 . ILE T 368 ? 0.8366 0.5632 0.6086 -0.0307 -0.0023 0.0127 369 ILE b CD1 +31229 N N . LEU T 369 ? 0.8721 0.5749 0.6266 -0.0382 0.0054 0.0171 370 LEU b N +31230 C CA . LEU T 369 ? 0.9258 0.6224 0.6768 -0.0426 0.0080 0.0174 370 LEU b CA +31231 C C . LEU T 369 ? 0.9200 0.6055 0.6635 -0.0443 0.0090 0.0168 370 LEU b C +31232 O O . LEU T 369 ? 0.9303 0.6085 0.6669 -0.0405 0.0082 0.0173 370 LEU b O +31233 C CB . LEU T 369 ? 0.9081 0.6013 0.6547 -0.0407 0.0089 0.0193 370 LEU b CB +31234 C CG . LEU T 369 ? 0.9599 0.6629 0.7132 -0.0403 0.0086 0.0199 370 LEU b CG +31235 C CD1 . LEU T 369 ? 0.7905 0.5016 0.5484 -0.0354 0.0058 0.0199 370 LEU b CD1 +31236 C CD2 . LEU T 369 ? 0.8935 0.5911 0.6413 -0.0399 0.0101 0.0215 370 LEU b CD2 +31237 N N . THR T 370 ? 1.0122 0.6964 0.7572 -0.0499 0.0107 0.0157 371 THR b N +31238 C CA . THR T 370 ? 0.9222 0.5960 0.6606 -0.0525 0.0119 0.0150 371 THR b CA +31239 C C . THR T 370 ? 1.0813 0.7476 0.8148 -0.0564 0.0150 0.0158 371 THR b C +31240 O O . THR T 370 ? 0.9923 0.6632 0.7294 -0.0584 0.0162 0.0164 371 THR b O +31241 C CB . THR T 370 ? 1.0242 0.7019 0.7678 -0.0563 0.0115 0.0128 371 THR b CB +31242 O OG1 . THR T 370 ? 1.0317 0.7175 0.7832 -0.0609 0.0126 0.0122 371 THR b OG1 +31243 C CG2 . THR T 370 ? 0.9432 0.6277 0.6911 -0.0524 0.0087 0.0121 371 THR b CG2 +31244 N N . ASP T 371 ? 1.0230 0.6773 0.7480 -0.0577 0.0162 0.0157 372 ASP b N +31245 C CA . ASP T 371 ? 1.1700 0.8174 0.8911 -0.0626 0.0193 0.0161 372 ASP b CA +31246 C C . ASP T 371 ? 1.1269 0.7790 0.8547 -0.0690 0.0204 0.0141 372 ASP b C +31247 O O . ASP T 371 ? 1.1176 0.7782 0.8527 -0.0693 0.0186 0.0126 372 ASP b O +31248 C CB . ASP T 371 ? 1.2134 0.8457 0.9225 -0.0618 0.0205 0.0169 372 ASP b CB +31249 C CG . ASP T 371 ? 1.2451 0.8718 0.9511 -0.0621 0.0196 0.0154 372 ASP b CG +31250 O OD1 . ASP T 371 ? 1.1967 0.8292 0.9092 -0.0654 0.0191 0.0135 372 ASP b OD1 +31251 O OD2 . ASP T 371 ? 1.2462 0.8623 0.9429 -0.0589 0.0194 0.0162 372 ASP b OD2 +31252 N N . LYS T 372 ? 1.2749 0.9216 1.0002 -0.0741 0.0234 0.0141 373 LYS b N +31253 C CA . LYS T 372 ? 1.3498 1.0012 1.0817 -0.0804 0.0246 0.0122 373 LYS b CA +31254 C C . LYS T 372 ? 1.3364 0.9862 1.0686 -0.0816 0.0232 0.0102 373 LYS b C +31255 O O . LYS T 372 ? 1.2853 0.9423 1.0251 -0.0856 0.0229 0.0083 373 LYS b O +31256 C CB . LYS T 372 ? 1.4151 1.0592 1.1428 -0.0855 0.0283 0.0126 373 LYS b CB +31257 C CG . LYS T 372 ? 1.6067 1.2353 1.3222 -0.0854 0.0298 0.0135 373 LYS b CG +31258 C CD . LYS T 372 ? 2.0176 1.6390 1.7275 -0.0879 0.0333 0.0150 373 LYS b CD +31259 C CE . LYS T 372 ? 1.7429 1.3483 1.4396 -0.0863 0.0344 0.0163 373 LYS b CE +31260 N NZ . LYS T 372 ? 1.5947 1.1935 1.2850 -0.0867 0.0372 0.0184 373 LYS b NZ +31261 N N . ASN T 373 ? 1.3451 0.9860 1.0694 -0.0782 0.0221 0.0105 374 ASN b N +31262 C CA . ASN T 373 ? 1.4758 1.1141 1.1993 -0.0790 0.0207 0.0087 374 ASN b CA +31263 C C . ASN T 373 ? 1.4459 1.0929 1.1748 -0.0747 0.0174 0.0080 374 ASN b C +31264 O O . ASN T 373 ? 1.5363 1.1813 1.2642 -0.0745 0.0160 0.0065 374 ASN b O +31265 C CB . ASN T 373 ? 1.5119 1.1353 1.2236 -0.0776 0.0214 0.0093 374 ASN b CB +31266 C CG . ASN T 373 ? 1.4726 1.0861 1.1778 -0.0816 0.0248 0.0101 374 ASN b CG +31267 O OD1 . ASN T 373 ? 1.3751 0.9896 1.0836 -0.0878 0.0267 0.0089 374 ASN b OD1 +31268 N ND2 . ASN T 373 ? 1.4547 1.0590 1.1509 -0.0781 0.0256 0.0122 374 ASN b ND2 +31269 N N . GLY T 374 ? 1.2967 0.9532 1.0312 -0.0713 0.0161 0.0089 375 GLY b N +31270 C CA . GLY T 374 ? 1.1920 0.8564 0.9312 -0.0672 0.0132 0.0084 375 GLY b CA +31271 C C . GLY T 374 ? 1.0352 0.6940 0.7677 -0.0609 0.0117 0.0094 375 GLY b C +31272 O O . GLY T 374 ? 1.2147 0.8790 0.9504 -0.0575 0.0093 0.0088 375 GLY b O +31273 N N . VAL T 375 ? 1.0954 0.7434 0.8188 -0.0592 0.0129 0.0109 376 VAL b N +31274 C CA . VAL T 375 ? 1.1771 0.8192 0.8936 -0.0531 0.0115 0.0119 376 VAL b CA +31275 C C . VAL T 375 ? 1.1206 0.7693 0.8398 -0.0485 0.0105 0.0135 376 VAL b C +31276 O O . VAL T 375 ? 1.0131 0.6632 0.7331 -0.0497 0.0119 0.0147 376 VAL b O +31277 C CB . VAL T 375 ? 1.2904 0.9174 0.9953 -0.0534 0.0133 0.0127 376 VAL b CB +31278 C CG1 . VAL T 375 ? 1.0635 0.6846 0.7612 -0.0466 0.0120 0.0140 376 VAL b CG1 +31279 C CG2 . VAL T 375 ? 1.1900 0.8103 0.8921 -0.0573 0.0138 0.0108 376 VAL b CG2 +31280 N N . VAL T 376 ? 0.9936 0.6465 0.7142 -0.0432 0.0081 0.0135 377 VAL b N +31281 C CA . VAL T 376 ? 1.0708 0.7307 0.7945 -0.0388 0.0070 0.0149 377 VAL b CA +31282 C C . VAL T 376 ? 1.0408 0.6918 0.7560 -0.0358 0.0078 0.0168 377 VAL b C +31283 O O . VAL T 376 ? 1.1803 0.8212 0.8870 -0.0332 0.0077 0.0171 377 VAL b O +31284 C CB . VAL T 376 ? 1.0356 0.7019 0.7629 -0.0340 0.0044 0.0144 377 VAL b CB +31285 C CG1 . VAL T 376 ? 0.9481 0.6210 0.6782 -0.0295 0.0032 0.0158 377 VAL b CG1 +31286 C CG2 . VAL T 376 ? 0.9013 0.5767 0.6370 -0.0368 0.0036 0.0127 377 VAL b CG2 +31287 N N . LYS T 377 ? 1.0084 0.6632 0.7257 -0.0358 0.0084 0.0180 378 LYS b N +31288 C CA . LYS T 377 ? 0.9138 0.5611 0.6234 -0.0330 0.0091 0.0199 378 LYS b CA +31289 C C . LYS T 377 ? 1.1784 0.8329 0.8911 -0.0281 0.0073 0.0210 378 LYS b C +31290 O O . LYS T 377 ? 0.9507 0.5990 0.6566 -0.0243 0.0071 0.0224 378 LYS b O +31291 C CB . LYS T 377 ? 1.0602 0.7029 0.7674 -0.0379 0.0119 0.0205 378 LYS b CB +31292 C CG . LYS T 377 ? 1.2502 0.8819 0.9510 -0.0422 0.0140 0.0198 378 LYS b CG +31293 C CD . LYS T 377 ? 1.2222 0.8408 0.9116 -0.0384 0.0138 0.0207 378 LYS b CD +31294 C CE . LYS T 377 ? 1.4043 1.0118 1.0872 -0.0425 0.0157 0.0199 378 LYS b CE +31295 N NZ . LYS T 377 ? 1.2679 0.8683 0.9463 -0.0470 0.0188 0.0208 378 LYS b NZ +31296 N N . ALA T 378 ? 0.9690 0.6361 0.6915 -0.0280 0.0060 0.0204 379 ALA b N +31297 C CA . ALA T 378 ? 0.9464 0.6204 0.6720 -0.0233 0.0043 0.0214 379 ALA b CA +31298 C C . ALA T 378 ? 0.9530 0.6399 0.6890 -0.0234 0.0027 0.0203 379 ALA b C +31299 O O . ALA T 378 ? 0.8999 0.5912 0.6412 -0.0276 0.0033 0.0191 379 ALA b O +31300 C CB . ALA T 378 ? 0.8141 0.4880 0.5387 -0.0242 0.0055 0.0228 379 ALA b CB +31301 N N . ASP T 379 ? 0.8530 0.5460 0.5917 -0.0186 0.0008 0.0208 380 ASP b N +31302 C CA . ASP T 379 ? 0.9171 0.6222 0.6653 -0.0182 -0.0007 0.0199 380 ASP b CA +31303 C C . ASP T 379 ? 0.9320 0.6431 0.6827 -0.0136 -0.0023 0.0209 380 ASP b C +31304 O O . ASP T 379 ? 0.8786 0.5844 0.6234 -0.0103 -0.0026 0.0221 380 ASP b O +31305 C CB . ASP T 379 ? 0.8427 0.5484 0.5921 -0.0175 -0.0017 0.0186 380 ASP b CB +31306 C CG . ASP T 379 ? 0.8786 0.5785 0.6218 -0.0122 -0.0029 0.0189 380 ASP b CG +31307 O OD1 . ASP T 379 ? 0.8737 0.5751 0.6161 -0.0077 -0.0040 0.0198 380 ASP b OD1 +31308 O OD2 . ASP T 379 ? 0.9133 0.6073 0.6526 -0.0124 -0.0028 0.0180 380 ASP b OD2 +31309 N N . ILE T 380 ? 0.8836 0.6058 0.6429 -0.0134 -0.0035 0.0204 381 ILE b N +31310 C CA . ILE T 380 ? 0.8476 0.5764 0.6101 -0.0089 -0.0053 0.0209 381 ILE b CA +31311 C C . ILE T 380 ? 0.8500 0.5806 0.6133 -0.0054 -0.0068 0.0202 381 ILE b C +31312 O O . ILE T 380 ? 0.8601 0.5954 0.6282 -0.0072 -0.0070 0.0190 381 ILE b O +31313 C CB . ILE T 380 ? 0.8887 0.6283 0.6598 -0.0106 -0.0055 0.0209 381 ILE b CB +31314 C CG1 . ILE T 380 ? 0.8875 0.6248 0.6573 -0.0138 -0.0039 0.0217 381 ILE b CG1 +31315 C CG2 . ILE T 380 ? 0.7722 0.5182 0.5464 -0.0060 -0.0074 0.0214 381 ILE b CG2 +31316 C CD1 . ILE T 380 ? 0.8351 0.5822 0.6127 -0.0156 -0.0040 0.0217 381 ILE b CD1 +31317 N N . PRO T 381 ? 0.9957 0.7219 0.7539 -0.0005 -0.0078 0.0207 382 PRO b N +31318 C CA . PRO T 381 ? 0.8095 0.5366 0.5678 0.0027 -0.0090 0.0199 382 PRO b CA +31319 C C . PRO T 381 ? 0.9228 0.6613 0.6891 0.0050 -0.0105 0.0196 382 PRO b C +31320 O O . PRO T 381 ? 0.8448 0.5892 0.6149 0.0059 -0.0111 0.0203 382 PRO b O +31321 C CB . PRO T 381 ? 0.8907 0.6092 0.6406 0.0073 -0.0095 0.0206 382 PRO b CB +31322 C CG . PRO T 381 ? 0.7841 0.5014 0.5321 0.0078 -0.0094 0.0220 382 PRO b CG +31323 C CD . PRO T 381 ? 0.7919 0.5110 0.5430 0.0020 -0.0078 0.0220 382 PRO b CD +31324 N N A PHE T 382 ? 0.7973 0.5386 0.5660 0.0059 -0.0110 0.0185 383 PHE b N +31325 N N B PHE T 382 ? 0.7964 0.5377 0.5651 0.0058 -0.0110 0.0185 383 PHE b N +31326 C CA A PHE T 382 ? 0.8560 0.6068 0.6310 0.0088 -0.0124 0.0182 383 PHE b CA +31327 C CA B PHE T 382 ? 0.8575 0.6084 0.6327 0.0087 -0.0124 0.0182 383 PHE b CA +31328 C C A PHE T 382 ? 0.7848 0.5333 0.5561 0.0146 -0.0135 0.0186 383 PHE b C +31329 C C B PHE T 382 ? 0.7834 0.5320 0.5548 0.0145 -0.0135 0.0186 383 PHE b C +31330 O O A PHE T 382 ? 0.9050 0.6572 0.6778 0.0173 -0.0145 0.0194 383 PHE b O +31331 O O B PHE T 382 ? 0.9077 0.6605 0.6810 0.0173 -0.0145 0.0193 383 PHE b O +31332 C CB A PHE T 382 ? 0.7736 0.5278 0.5524 0.0070 -0.0123 0.0169 383 PHE b CB +31333 C CB B PHE T 382 ? 0.7711 0.5255 0.5500 0.0069 -0.0123 0.0169 383 PHE b CB +31334 C CG A PHE T 382 ? 0.7984 0.5636 0.5851 0.0083 -0.0133 0.0166 383 PHE b CG +31335 C CG B PHE T 382 ? 0.7986 0.5639 0.5854 0.0083 -0.0133 0.0166 383 PHE b CG +31336 C CD1 A PHE T 382 ? 0.7281 0.4956 0.5151 0.0128 -0.0142 0.0164 383 PHE b CD1 +31337 C CD1 B PHE T 382 ? 0.7265 0.4942 0.5137 0.0128 -0.0142 0.0164 383 PHE b CD1 +31338 C CD2 A PHE T 382 ? 0.7787 0.5516 0.5723 0.0050 -0.0131 0.0165 383 PHE b CD2 +31339 C CD2 B PHE T 382 ? 0.7780 0.5511 0.5718 0.0049 -0.0131 0.0165 383 PHE b CD2 +31340 C CE1 A PHE T 382 ? 0.7913 0.5687 0.5855 0.0138 -0.0149 0.0160 383 PHE b CE1 +31341 C CE1 B PHE T 382 ? 0.7921 0.5696 0.5864 0.0139 -0.0149 0.0161 383 PHE b CE1 +31342 C CE2 A PHE T 382 ? 0.8224 0.6050 0.6231 0.0061 -0.0139 0.0162 383 PHE b CE2 +31343 C CE2 B PHE T 382 ? 0.8235 0.6061 0.6242 0.0060 -0.0139 0.0162 383 PHE b CE2 +31344 C CZ A PHE T 382 ? 0.7734 0.5581 0.5742 0.0104 -0.0148 0.0160 383 PHE b CZ +31345 C CZ B PHE T 382 ? 0.7735 0.5583 0.5745 0.0104 -0.0148 0.0160 383 PHE b CZ +31346 N N A ARG T 383 ? 0.8087 0.5510 0.5749 0.0166 -0.0135 0.0180 384 ARG b N +31347 N N B ARG T 383 ? 0.8088 0.5506 0.5747 0.0165 -0.0135 0.0180 384 ARG b N +31348 C CA A ARG T 383 ? 0.9236 0.6622 0.6851 0.0222 -0.0145 0.0184 384 ARG b CA +31349 C CA B ARG T 383 ? 0.9261 0.6644 0.6875 0.0221 -0.0145 0.0184 384 ARG b CA +31350 C C A ARG T 383 ? 0.9460 0.6751 0.6996 0.0229 -0.0142 0.0194 384 ARG b C +31351 C C B ARG T 383 ? 0.9476 0.6764 0.7011 0.0229 -0.0141 0.0194 384 ARG b C +31352 O O A ARG T 383 ? 0.9194 0.6396 0.6672 0.0202 -0.0129 0.0194 384 ARG b O +31353 O O B ARG T 383 ? 0.9207 0.6405 0.6682 0.0203 -0.0129 0.0194 384 ARG b O +31354 C CB A ARG T 383 ? 0.8282 0.5627 0.5865 0.0241 -0.0145 0.0173 384 ARG b CB +31355 C CB B ARG T 383 ? 0.8267 0.5610 0.5849 0.0240 -0.0144 0.0173 384 ARG b CB +31356 C CG A ARG T 383 ? 0.8524 0.5962 0.6175 0.0257 -0.0151 0.0165 384 ARG b CG +31357 C CG B ARG T 383 ? 0.8511 0.5945 0.6161 0.0249 -0.0150 0.0164 384 ARG b CG +31358 C CD A ARG T 383 ? 0.8327 0.5719 0.5941 0.0272 -0.0149 0.0154 384 ARG b CD +31359 C CD B ARG T 383 ? 0.8334 0.5718 0.5941 0.0274 -0.0149 0.0154 384 ARG b CD +31360 N NE A ARG T 383 ? 0.8328 0.5802 0.5996 0.0298 -0.0155 0.0147 384 ARG b NE +31361 N NE B ARG T 383 ? 0.8333 0.5803 0.5999 0.0295 -0.0155 0.0147 384 ARG b NE +31362 C CZ A ARG T 383 ? 0.8892 0.6346 0.6540 0.0316 -0.0154 0.0137 384 ARG b CZ +31363 C CZ B ARG T 383 ? 0.8915 0.6365 0.6561 0.0315 -0.0154 0.0137 384 ARG b CZ +31364 N NH1 A ARG T 383 ? 0.8548 0.5900 0.6121 0.0315 -0.0149 0.0132 384 ARG b NH1 +31365 N NH1 B ARG T 383 ? 0.8546 0.5893 0.6115 0.0318 -0.0149 0.0133 384 ARG b NH1 +31366 N NH2 A ARG T 383 ? 0.8193 0.5729 0.5897 0.0336 -0.0158 0.0131 384 ARG b NH2 +31367 N NH2 B ARG T 383 ? 0.8194 0.5728 0.5897 0.0332 -0.0158 0.0131 384 ARG b NH2 +31368 N N . ARG T 384 ? 0.8804 0.6111 0.6336 0.0264 -0.0152 0.0203 385 ARG b N +31369 C CA . ARG T 384 ? 0.9186 0.6401 0.6640 0.0271 -0.0149 0.0214 385 ARG b CA +31370 C C . ARG T 384 ? 0.9025 0.6141 0.6392 0.0312 -0.0152 0.0215 385 ARG b C +31371 O O . ARG T 384 ? 0.9318 0.6328 0.6604 0.0303 -0.0143 0.0221 385 ARG b O +31372 C CB . ARG T 384 ? 0.8378 0.5641 0.5853 0.0293 -0.0161 0.0224 385 ARG b CB +31373 C CG . ARG T 384 ? 1.1216 0.8588 0.8783 0.0263 -0.0162 0.0223 385 ARG b CG +31374 C CD . ARG T 384 ? 0.9121 0.6490 0.6707 0.0201 -0.0144 0.0222 385 ARG b CD +31375 N NE . ARG T 384 ? 0.9932 0.7370 0.7571 0.0180 -0.0144 0.0227 385 ARG b NE +31376 C CZ . ARG T 384 ? 0.9650 0.7193 0.7376 0.0170 -0.0150 0.0222 385 ARG b CZ +31377 N NH1 . ARG T 384 ? 0.8274 0.5873 0.6047 0.0176 -0.0154 0.0212 385 ARG b NH1 +31378 N NH2 . ARG T 384 ? 0.9058 0.6651 0.6822 0.0152 -0.0149 0.0227 385 ARG b NH2 +31379 N N . ALA T 385 ? 1.0052 0.7195 0.7431 0.0355 -0.0163 0.0207 386 ALA b N +31380 C CA . ALA T 385 ? 1.0059 0.7122 0.7361 0.0405 -0.0170 0.0208 386 ALA b CA +31381 C C . ALA T 385 ? 1.1266 0.8206 0.8483 0.0389 -0.0157 0.0206 386 ALA b C +31382 O O . ALA T 385 ? 1.1856 0.8707 0.8993 0.0427 -0.0160 0.0210 386 ALA b O +31383 C CB . ALA T 385 ? 1.0040 0.7167 0.7381 0.0451 -0.0182 0.0199 386 ALA b CB +31384 N N . GLU T 386 ? 1.0433 0.7362 0.7662 0.0336 -0.0142 0.0200 387 GLU b N +31385 C CA . GLU T 386 ? 1.1565 0.8370 0.8709 0.0318 -0.0129 0.0199 387 GLU b CA +31386 C C . GLU T 386 ? 0.9622 0.6401 0.6765 0.0253 -0.0112 0.0201 387 GLU b C +31387 O O . GLU T 386 ? 1.1383 0.8105 0.8499 0.0216 -0.0100 0.0194 387 GLU b O +31388 C CB . GLU T 386 ? 1.3395 1.0184 1.0532 0.0324 -0.0128 0.0184 387 GLU b CB +31389 C CG . GLU T 386 ? 1.3181 0.9944 1.0278 0.0391 -0.0141 0.0183 387 GLU b CG +31390 C CD . GLU T 386 ? 1.6216 1.2970 1.3310 0.0401 -0.0140 0.0168 387 GLU b CD +31391 O OE1 . GLU T 386 ? 1.7830 1.4558 1.4922 0.0355 -0.0128 0.0160 387 GLU b OE1 +31392 O OE2 . GLU T 386 ? 1.6162 1.2937 1.3257 0.0454 -0.0150 0.0165 387 GLU b OE2 +31393 N N . SER T 387 ? 0.9003 0.5829 0.6180 0.0238 -0.0112 0.0211 388 SER b N +31394 C CA . SER T 387 ? 0.9763 0.6572 0.6944 0.0179 -0.0095 0.0214 388 SER b CA +31395 C C . SER T 387 ? 1.0370 0.7041 0.7446 0.0170 -0.0082 0.0221 388 SER b C +31396 O O . SER T 387 ? 0.9485 0.6092 0.6494 0.0211 -0.0088 0.0231 388 SER b O +31397 C CB . SER T 387 ? 0.9229 0.6123 0.6470 0.0171 -0.0099 0.0222 388 SER b CB +31398 O OG . SER T 387 ? 1.0238 0.7098 0.7464 0.0122 -0.0082 0.0228 388 SER b OG +31399 N N . LYS T 388 ? 0.9271 0.5894 0.6332 0.0116 -0.0064 0.0216 389 LYS b N +31400 C CA . LYS T 388 ? 0.9422 0.5920 0.6391 0.0095 -0.0047 0.0224 389 LYS b CA +31401 C C . LYS T 388 ? 1.0097 0.6605 0.7087 0.0039 -0.0029 0.0229 389 LYS b C +31402 O O . LYS T 388 ? 1.0036 0.6451 0.6953 0.0028 -0.0015 0.0239 389 LYS b O +31403 C CB . LYS T 388 ? 0.9994 0.6404 0.6910 0.0079 -0.0038 0.0213 389 LYS b CB +31404 C CG . LYS T 388 ? 1.1727 0.8118 0.8615 0.0134 -0.0054 0.0207 389 LYS b CG +31405 C CD . LYS T 388 ? 1.3736 1.0051 1.0581 0.0116 -0.0046 0.0195 389 LYS b CD +31406 C CE . LYS T 388 ? 1.5700 1.2085 1.2621 0.0062 -0.0040 0.0180 389 LYS b CE +31407 N NZ . LYS T 388 ? 1.6356 1.2669 1.3235 0.0046 -0.0035 0.0167 389 LYS b NZ +31408 N N . TYR T 389 ? 1.0191 0.6808 0.7276 0.0006 -0.0028 0.0223 390 TYR b N +31409 C CA . TYR T 389 ? 0.9088 0.5718 0.6199 -0.0052 -0.0010 0.0225 390 TYR b CA +31410 C C . TYR T 389 ? 0.9188 0.5910 0.6361 -0.0049 -0.0015 0.0233 390 TYR b C +31411 O O . TYR T 389 ? 0.9455 0.6217 0.6671 -0.0095 -0.0002 0.0232 390 TYR b O +31412 C CB . TYR T 389 ? 0.9373 0.6041 0.6539 -0.0102 -0.0002 0.0209 390 TYR b CB +31413 C CG . TYR T 389 ? 1.0122 0.6698 0.7228 -0.0112 0.0004 0.0200 390 TYR b CG +31414 C CD1 . TYR T 389 ? 1.0683 0.7142 0.7709 -0.0140 0.0023 0.0203 390 TYR b CD1 +31415 C CD2 . TYR T 389 ? 1.0385 0.6989 0.7515 -0.0095 -0.0009 0.0187 390 TYR b CD2 +31416 C CE1 . TYR T 389 ? 1.0779 0.7150 0.7749 -0.0151 0.0029 0.0194 390 TYR b CE1 +31417 C CE2 . TYR T 389 ? 1.0729 0.7246 0.7802 -0.0104 -0.0005 0.0177 390 TYR b CE2 +31418 C CZ . TYR T 389 ? 1.1880 0.8282 0.8874 -0.0133 0.0014 0.0180 390 TYR b CZ +31419 O OH . TYR T 389 ? 1.2770 0.9084 0.9707 -0.0143 0.0019 0.0170 390 TYR b OH +31420 N N . SER T 390 ? 0.8939 0.5695 0.6114 0.0004 -0.0033 0.0240 391 SER b N +31421 C CA . SER T 390 ? 0.8649 0.5493 0.5883 0.0008 -0.0040 0.0246 391 SER b CA +31422 C C . SER T 390 ? 1.0119 0.6914 0.7316 -0.0023 -0.0021 0.0257 391 SER b C +31423 O O . SER T 390 ? 0.9958 0.6639 0.7065 -0.0027 -0.0008 0.0264 391 SER b O +31424 C CB . SER T 390 ? 0.9718 0.6591 0.6948 0.0071 -0.0062 0.0252 391 SER b CB +31425 O OG . SER T 390 ? 0.9668 0.6439 0.6803 0.0098 -0.0061 0.0265 391 SER b OG +31426 N N . PHE T 391 ? 0.9154 0.6032 0.6417 -0.0045 -0.0019 0.0259 392 PHE b N +31427 C CA . PHE T 391 ? 0.9887 0.6728 0.7120 -0.0073 -0.0001 0.0269 392 PHE b CA +31428 C C . PHE T 391 ? 1.0156 0.6918 0.7302 -0.0031 -0.0006 0.0283 392 PHE b C +31429 O O . PHE T 391 ? 0.9953 0.6631 0.7032 -0.0051 0.0013 0.0293 392 PHE b O +31430 C CB . PHE T 391 ? 0.9148 0.6098 0.6468 -0.0093 -0.0001 0.0268 392 PHE b CB +31431 C CG . PHE T 391 ? 0.9356 0.6365 0.6747 -0.0147 0.0012 0.0256 392 PHE b CG +31432 C CD1 . PHE T 391 ? 0.9330 0.6340 0.6739 -0.0160 0.0010 0.0243 392 PHE b CD1 +31433 C CD2 . PHE T 391 ? 0.9067 0.6129 0.6506 -0.0183 0.0024 0.0257 392 PHE b CD2 +31434 C CE1 . PHE T 391 ? 0.8778 0.5844 0.6254 -0.0207 0.0019 0.0232 392 PHE b CE1 +31435 C CE2 . PHE T 391 ? 0.8965 0.6084 0.6472 -0.0230 0.0034 0.0246 392 PHE b CE2 +31436 C CZ . PHE T 391 ? 0.9242 0.6365 0.6769 -0.0242 0.0031 0.0233 392 PHE b CZ +31437 N N . GLU T 392 ? 0.9504 0.6293 0.6650 0.0026 -0.0030 0.0286 393 GLU b N +31438 C CA . GLU T 392 ? 0.9467 0.6185 0.6532 0.0070 -0.0039 0.0299 393 GLU b CA +31439 C C . GLU T 392 ? 1.0699 0.7282 0.7659 0.0079 -0.0030 0.0302 393 GLU b C +31440 O O . GLU T 392 ? 1.0898 0.7386 0.7773 0.0083 -0.0020 0.0315 393 GLU b O +31441 C CB . GLU T 392 ? 0.8780 0.5568 0.5879 0.0129 -0.0069 0.0298 393 GLU b CB +31442 C CG . GLU T 392 ? 0.9023 0.5938 0.6217 0.0126 -0.0080 0.0296 393 GLU b CG +31443 C CD . GLU T 392 ? 0.9548 0.6567 0.6842 0.0102 -0.0082 0.0282 393 GLU b CD +31444 O OE1 . GLU T 392 ? 0.9101 0.6097 0.6396 0.0080 -0.0072 0.0273 393 GLU b OE1 +31445 O OE2 . GLU T 392 ? 0.9093 0.6216 0.6465 0.0106 -0.0093 0.0279 393 GLU b OE2 +31446 N N . GLN T 393 ? 0.9683 0.6250 0.6644 0.0081 -0.0032 0.0292 394 GLN b N +31447 C CA . GLN T 393 ? 0.8990 0.5426 0.5851 0.0089 -0.0023 0.0294 394 GLN b CA +31448 C C . GLN T 393 ? 1.0769 0.7123 0.7584 0.0031 0.0007 0.0297 394 GLN b C +31449 O O . GLN T 393 ? 1.0235 0.6465 0.6949 0.0035 0.0018 0.0306 394 GLN b O +31450 C CB . GLN T 393 ? 0.9476 0.5920 0.6354 0.0100 -0.0032 0.0281 394 GLN b CB +31451 C CG . GLN T 393 ? 0.8982 0.5456 0.5863 0.0168 -0.0058 0.0279 394 GLN b CG +31452 C CD . GLN T 393 ? 1.0929 0.7462 0.7868 0.0171 -0.0067 0.0264 394 GLN b CD +31453 O OE1 . GLN T 393 ? 0.9847 0.6471 0.6871 0.0136 -0.0064 0.0255 394 GLN b OE1 +31454 N NE2 . GLN T 393 ? 0.9399 0.5878 0.6288 0.0214 -0.0077 0.0261 394 GLN b NE2 +31455 N N . GLN T 394 ? 1.0520 0.6940 0.7408 -0.0025 0.0021 0.0290 395 GLN b N +31456 C CA . GLN T 394 ? 0.9759 0.6113 0.6617 -0.0084 0.0051 0.0289 395 GLN b CA +31457 C C . GLN T 394 ? 1.0229 0.6576 0.7076 -0.0110 0.0068 0.0301 395 GLN b C +31458 O O . GLN T 394 ? 1.0213 0.6513 0.7041 -0.0163 0.0095 0.0300 395 GLN b O +31459 C CB . GLN T 394 ? 0.9763 0.6190 0.6706 -0.0131 0.0056 0.0272 395 GLN b CB +31460 C CG . GLN T 394 ? 0.9497 0.5927 0.6447 -0.0108 0.0041 0.0260 395 GLN b CG +31461 C CD . GLN T 394 ? 1.1508 0.7800 0.8354 -0.0101 0.0049 0.0261 395 GLN b CD +31462 O OE1 . GLN T 394 ? 1.0836 0.7040 0.7624 -0.0139 0.0072 0.0265 395 GLN b OE1 +31463 N NE2 . GLN T 394 ? 1.0773 0.7042 0.7591 -0.0054 0.0031 0.0258 395 GLN b NE2 +31464 N N . GLY T 395 ? 1.0611 0.7001 0.7467 -0.0075 0.0054 0.0310 396 GLY b N +31465 C CA . GLY T 395 ? 0.9670 0.6066 0.6523 -0.0096 0.0068 0.0320 396 GLY b CA +31466 C C . GLY T 395 ? 1.1021 0.7479 0.7946 -0.0160 0.0090 0.0313 396 GLY b C +31467 O O . GLY T 395 ? 1.0612 0.7009 0.7497 -0.0200 0.0117 0.0318 396 GLY b O +31468 N N . VAL T 396 ? 1.0064 0.6641 0.7095 -0.0171 0.0079 0.0300 397 VAL b N +31469 C CA . VAL T 396 ? 0.9352 0.5994 0.6457 -0.0229 0.0097 0.0291 397 VAL b CA +31470 C C . VAL T 396 ? 0.9496 0.6186 0.6626 -0.0236 0.0103 0.0299 397 VAL b C +31471 O O . VAL T 396 ? 0.9808 0.6546 0.6953 -0.0196 0.0083 0.0305 397 VAL b O +31472 C CB . VAL T 396 ? 0.9514 0.6263 0.6717 -0.0234 0.0081 0.0275 397 VAL b CB +31473 C CG1 . VAL T 396 ? 0.9332 0.6149 0.6612 -0.0292 0.0098 0.0265 397 VAL b CG1 +31474 C CG2 . VAL T 396 ? 0.8734 0.5430 0.5906 -0.0225 0.0075 0.0267 397 VAL b CG2 +31475 N N . THR T 397 ? 0.8806 0.5486 0.5943 -0.0289 0.0131 0.0299 398 THR b N +31476 C CA . THR T 397 ? 0.8548 0.5276 0.5714 -0.0303 0.0141 0.0305 398 THR b CA +31477 C C . THR T 397 ? 0.9549 0.6353 0.6801 -0.0359 0.0158 0.0292 398 THR b C +31478 O O . THR T 397 ? 0.9949 0.6746 0.7220 -0.0392 0.0167 0.0281 398 THR b O +31479 C CB . THR T 397 ? 1.1753 0.8374 0.8821 -0.0309 0.0164 0.0320 398 THR b CB +31480 O OG1 . THR T 397 ? 1.0128 0.6684 0.7169 -0.0364 0.0196 0.0317 398 THR b OG1 +31481 C CG2 . THR T 397 ? 1.0334 0.6859 0.7303 -0.0256 0.0149 0.0332 398 THR b CG2 +31482 N N . VAL T 398 ? 0.9405 0.6284 0.6710 -0.0370 0.0162 0.0294 399 VAL b N +31483 C CA . VAL T 398 ? 0.9312 0.6265 0.6699 -0.0420 0.0178 0.0283 399 VAL b CA +31484 C C . VAL T 398 ? 1.0230 0.7174 0.7603 -0.0445 0.0203 0.0291 399 VAL b C +31485 O O . VAL T 398 ? 0.9719 0.6665 0.7069 -0.0415 0.0196 0.0302 399 VAL b O +31486 C CB . VAL T 398 ? 0.9662 0.6745 0.7156 -0.0409 0.0154 0.0271 399 VAL b CB +31487 C CG1 . VAL T 398 ? 0.8334 0.5475 0.5848 -0.0371 0.0136 0.0279 399 VAL b CG1 +31488 C CG2 . VAL T 398 ? 0.8522 0.5676 0.6098 -0.0462 0.0170 0.0258 399 VAL b CG2 +31489 N N . SER T 399 ? 0.8959 0.5892 0.6346 -0.0500 0.0233 0.0285 400 SER b N +31490 C CA . SER T 399 ? 1.0327 0.7259 0.7711 -0.0531 0.0261 0.0289 400 SER b CA +31491 C C . SER T 399 ? 0.9878 0.6916 0.7369 -0.0572 0.0269 0.0274 400 SER b C +31492 O O . SER T 399 ? 0.9990 0.7059 0.7529 -0.0596 0.0266 0.0260 400 SER b O +31493 C CB . SER T 399 ? 0.9676 0.6487 0.6971 -0.0563 0.0295 0.0296 400 SER b CB +31494 O OG . SER T 399 ? 1.0414 0.7121 0.7606 -0.0524 0.0286 0.0310 400 SER b OG +31495 N N . PHE T 400 ? 0.8936 0.6026 0.6460 -0.0581 0.0280 0.0277 401 PHE b N +31496 C CA . PHE T 400 ? 0.9183 0.6378 0.6808 -0.0615 0.0287 0.0264 401 PHE b CA +31497 C C . PHE T 400 ? 0.9452 0.6621 0.7069 -0.0666 0.0327 0.0263 401 PHE b C +31498 O O . PHE T 400 ? 1.0436 0.7541 0.7986 -0.0665 0.0346 0.0276 401 PHE b O +31499 C CB . PHE T 400 ? 0.8365 0.5654 0.6048 -0.0584 0.0266 0.0265 401 PHE b CB +31500 C CG . PHE T 400 ? 1.0168 0.7520 0.7899 -0.0549 0.0229 0.0259 401 PHE b CG +31501 C CD1 . PHE T 400 ? 0.9345 0.6788 0.7169 -0.0566 0.0219 0.0243 401 PHE b CD1 +31502 C CD2 . PHE T 400 ? 0.9241 0.6557 0.6922 -0.0498 0.0205 0.0268 401 PHE b CD2 +31503 C CE1 . PHE T 400 ? 0.9516 0.7014 0.7381 -0.0535 0.0187 0.0238 401 PHE b CE1 +31504 C CE2 . PHE T 400 ? 0.9702 0.7077 0.7429 -0.0467 0.0173 0.0263 401 PHE b CE2 +31505 C CZ . PHE T 400 ? 0.9295 0.6759 0.7113 -0.0486 0.0165 0.0248 401 PHE b CZ +31506 N N . TYR T 401 ? 0.9572 0.6794 0.7259 -0.0710 0.0339 0.0247 402 TYR b N +31507 C CA . TYR T 401 ? 0.9551 0.6767 0.7249 -0.0762 0.0377 0.0243 402 TYR b CA +31508 C C . TYR T 401 ? 0.9366 0.6708 0.7178 -0.0784 0.0375 0.0228 402 TYR b C +31509 O O . TYR T 401 ? 0.9441 0.6849 0.7321 -0.0786 0.0355 0.0214 402 TYR b O +31510 C CB . TYR T 401 ? 0.9200 0.6341 0.6861 -0.0803 0.0397 0.0237 402 TYR b CB +31511 C CG . TYR T 401 ? 1.1180 0.8192 0.8726 -0.0781 0.0398 0.0251 402 TYR b CG +31512 C CD1 . TYR T 401 ? 1.0737 0.7719 0.8259 -0.0752 0.0370 0.0250 402 TYR b CD1 +31513 C CD2 . TYR T 401 ? 1.1252 0.8170 0.8709 -0.0787 0.0426 0.0267 402 TYR b CD2 +31514 C CE1 . TYR T 401 ? 1.0649 0.7512 0.8064 -0.0729 0.0370 0.0263 402 TYR b CE1 +31515 C CE2 . TYR T 401 ? 1.0871 0.7667 0.8218 -0.0764 0.0426 0.0280 402 TYR b CE2 +31516 C CZ . TYR T 401 ? 1.1901 0.8671 0.9228 -0.0734 0.0397 0.0278 402 TYR b CZ +31517 O OH . TYR T 401 ? 1.1315 0.7966 0.8535 -0.0709 0.0395 0.0291 402 TYR b OH +31518 N N . GLY T 402 ? 0.9580 0.6952 0.7410 -0.0799 0.0397 0.0230 403 GLY b N +31519 C CA . GLY T 402 ? 0.9586 0.7075 0.7517 -0.0810 0.0395 0.0218 403 GLY b CA +31520 C C . GLY T 402 ? 0.9358 0.6911 0.7319 -0.0762 0.0362 0.0223 403 GLY b C +31521 O O . GLY T 402 ? 0.9884 0.7398 0.7795 -0.0719 0.0339 0.0233 403 GLY b O +31522 N N . GLY T 403 ? 0.8823 0.6477 0.6869 -0.0768 0.0360 0.0214 404 GLY b N +31523 C CA . GLY T 403 ? 0.8872 0.6599 0.6961 -0.0729 0.0330 0.0215 404 GLY b CA +31524 C C . GLY T 403 ? 0.8741 0.6426 0.6765 -0.0691 0.0325 0.0232 404 GLY b C +31525 O O . GLY T 403 ? 1.0034 0.7646 0.7988 -0.0698 0.0349 0.0242 404 GLY b O +31526 N N . GLU T 404 ? 1.0713 0.8446 0.8762 -0.0650 0.0292 0.0234 405 GLU b N +31527 C CA . GLU T 404 ? 1.0367 0.8082 0.8372 -0.0614 0.0284 0.0247 405 GLU b CA +31528 C C . GLU T 404 ? 1.0201 0.7810 0.8102 -0.0589 0.0281 0.0261 405 GLU b C +31529 O O . GLU T 404 ? 0.9900 0.7465 0.7742 -0.0571 0.0287 0.0273 405 GLU b O +31530 C CB . GLU T 404 ? 0.9322 0.7121 0.7385 -0.0579 0.0250 0.0244 405 GLU b CB +31531 C CG . GLU T 404 ? 1.3592 1.1485 1.1738 -0.0594 0.0255 0.0234 405 GLU b CG +31532 C CD . GLU T 404 ? 1.7553 1.5502 1.5726 -0.0557 0.0229 0.0237 405 GLU b CD +31533 O OE1 . GLU T 404 ? 1.4799 1.2757 1.2972 -0.0524 0.0199 0.0239 405 GLU b OE1 +31534 O OE2 . GLU T 404 ? 1.7272 1.5257 1.5466 -0.0561 0.0239 0.0237 405 GLU b OE2 +31535 N N . LEU T 405 ? 0.9067 0.6634 0.6944 -0.0583 0.0270 0.0260 406 LEU b N +31536 C CA . LEU T 405 ? 0.9753 0.7221 0.7532 -0.0555 0.0264 0.0274 406 LEU b CA +31537 C C . LEU T 405 ? 0.9398 0.6765 0.7104 -0.0587 0.0296 0.0279 406 LEU b C +31538 O O . LEU T 405 ? 0.9341 0.6617 0.6965 -0.0568 0.0293 0.0288 406 LEU b O +31539 C CB . LEU T 405 ? 0.9746 0.7219 0.7531 -0.0524 0.0232 0.0271 406 LEU b CB +31540 C CG . LEU T 405 ? 1.0323 0.7883 0.8167 -0.0487 0.0198 0.0269 406 LEU b CG +31541 C CD1 . LEU T 405 ? 0.9323 0.6871 0.7154 -0.0452 0.0170 0.0269 406 LEU b CD1 +31542 C CD2 . LEU T 405 ? 0.9468 0.7029 0.7285 -0.0461 0.0194 0.0279 406 LEU b CD2 +31543 N N . ASN T 406 ? 0.9342 0.6723 0.7077 -0.0634 0.0328 0.0272 407 ASN b N +31544 C CA . ASN T 406 ? 0.9375 0.6666 0.7049 -0.0671 0.0363 0.0275 407 ASN b CA +31545 C C . ASN T 406 ? 0.9830 0.7010 0.7388 -0.0648 0.0371 0.0294 407 ASN b C +31546 O O . ASN T 406 ? 0.9612 0.6795 0.7147 -0.0625 0.0369 0.0303 407 ASN b O +31547 C CB . ASN T 406 ? 0.9176 0.6510 0.6899 -0.0720 0.0396 0.0267 407 ASN b CB +31548 C CG . ASN T 406 ? 1.1437 0.8679 0.9097 -0.0761 0.0436 0.0271 407 ASN b CG +31549 O OD1 . ASN T 406 ? 1.0177 0.7379 0.7827 -0.0784 0.0441 0.0265 407 ASN b OD1 +31550 N ND2 . ASN T 406 ? 1.0763 0.7964 0.8375 -0.0770 0.0464 0.0281 407 ASN b ND2 +31551 N N . GLY T 407 ? 0.9594 0.6675 0.7078 -0.0654 0.0379 0.0299 408 GLY b N +31552 C CA . GLY T 407 ? 1.0466 0.7432 0.7834 -0.0633 0.0387 0.0317 408 GLY b CA +31553 C C . GLY T 407 ? 1.0653 0.7592 0.7976 -0.0573 0.0350 0.0326 408 GLY b C +31554 O O . GLY T 407 ? 1.1286 0.8121 0.8507 -0.0552 0.0354 0.0340 408 GLY b O +31555 N N . GLN T 408 ? 1.1174 0.8200 0.8567 -0.0544 0.0316 0.0318 409 GLN b N +31556 C CA . GLN T 408 ? 1.0374 0.7381 0.7728 -0.0486 0.0281 0.0326 409 GLN b CA +31557 C C . GLN T 408 ? 1.0702 0.7664 0.8032 -0.0474 0.0266 0.0323 409 GLN b C +31558 O O . GLN T 408 ? 1.0344 0.7330 0.7721 -0.0505 0.0271 0.0311 409 GLN b O +31559 C CB . GLN T 408 ? 1.1287 0.8407 0.8722 -0.0458 0.0252 0.0320 409 GLN b CB +31560 C CG . GLN T 408 ? 1.0942 0.8107 0.8401 -0.0468 0.0265 0.0322 409 GLN b CG +31561 C CD . GLN T 408 ? 1.1771 0.9031 0.9291 -0.0434 0.0234 0.0319 409 GLN b CD +31562 O OE1 . GLN T 408 ? 1.2880 1.0136 1.0379 -0.0389 0.0204 0.0324 409 GLN b OE1 +31563 N NE2 . GLN T 408 ? 1.1399 0.8744 0.8995 -0.0457 0.0242 0.0311 409 GLN b NE2 +31564 N N . THR T 409 ? 0.9658 0.6555 0.6913 -0.0427 0.0247 0.0334 410 THR b N +31565 C CA . THR T 409 ? 1.0476 0.7326 0.7700 -0.0405 0.0229 0.0332 410 THR b CA +31566 C C . THR T 409 ? 1.0981 0.7866 0.8210 -0.0345 0.0191 0.0335 410 THR b C +31567 O O . THR T 409 ? 1.1285 0.8165 0.8482 -0.0315 0.0182 0.0345 410 THR b O +31568 C CB . THR T 409 ? 1.0082 0.6791 0.7190 -0.0410 0.0249 0.0344 410 THR b CB +31569 O OG1 . THR T 409 ? 1.2146 0.8828 0.9260 -0.0469 0.0284 0.0337 410 THR b OG1 +31570 C CG2 . THR T 409 ? 0.9549 0.6203 0.6612 -0.0374 0.0227 0.0344 410 THR b CG2 +31571 N N . PHE T 410 ? 1.0375 0.7302 0.7648 -0.0329 0.0168 0.0326 411 PHE b N +31572 C CA . PHE T 410 ? 1.0197 0.7160 0.7479 -0.0273 0.0132 0.0328 411 PHE b CA +31573 C C . PHE T 410 ? 1.0781 0.7667 0.8002 -0.0246 0.0120 0.0329 411 PHE b C +31574 O O . PHE T 410 ? 1.0263 0.7113 0.7478 -0.0273 0.0133 0.0323 411 PHE b O +31575 C CB . PHE T 410 ? 1.0020 0.7114 0.7416 -0.0273 0.0113 0.0315 411 PHE b CB +31576 C CG . PHE T 410 ? 0.9938 0.7107 0.7394 -0.0296 0.0122 0.0313 411 PHE b CG +31577 C CD1 . PHE T 410 ? 1.0797 0.7998 0.8253 -0.0266 0.0108 0.0320 411 PHE b CD1 +31578 C CD2 . PHE T 410 ? 1.0419 0.7626 0.7930 -0.0348 0.0145 0.0304 411 PHE b CD2 +31579 C CE1 . PHE T 410 ? 1.0898 0.8165 0.8406 -0.0287 0.0118 0.0317 411 PHE b CE1 +31580 C CE2 . PHE T 410 ? 1.0090 0.7365 0.7655 -0.0368 0.0155 0.0302 411 PHE b CE2 +31581 C CZ . PHE T 410 ? 1.0749 0.8053 0.8311 -0.0337 0.0141 0.0309 411 PHE b CZ +31582 N N . THR T 411 ? 0.9535 0.6397 0.6710 -0.0192 0.0096 0.0337 412 THR b N +31583 C CA . THR T 411 ? 1.0924 0.7703 0.8030 -0.0160 0.0085 0.0340 412 THR b CA +31584 C C . THR T 411 ? 0.9790 0.6621 0.6921 -0.0104 0.0049 0.0338 412 THR b C +31585 O O . THR T 411 ? 1.1290 0.8069 0.8380 -0.0078 0.0039 0.0337 412 THR b O +31586 C CB . THR T 411 ? 1.2074 0.8724 0.9058 -0.0148 0.0098 0.0356 412 THR b CB +31587 O OG1 . THR T 411 ? 0.9940 0.6602 0.6902 -0.0111 0.0083 0.0365 412 THR b OG1 +31588 C CG2 . THR T 411 ? 0.9435 0.6024 0.6386 -0.0205 0.0138 0.0359 412 THR b CG2 +31589 N N . ASP T 412 ? 0.9061 0.5989 0.6256 -0.0085 0.0030 0.0336 413 ASP b N +31590 C CA . ASP T 412 ? 1.1398 0.8380 0.8625 -0.0035 -0.0003 0.0332 413 ASP b CA +31591 C C . ASP T 412 ? 1.0771 0.7826 0.8079 -0.0049 -0.0008 0.0318 413 ASP b C +31592 O O . ASP T 412 ? 0.9128 0.6254 0.6510 -0.0088 0.0002 0.0310 413 ASP b O +31593 C CB . ASP T 412 ? 0.8614 0.5676 0.5884 -0.0012 -0.0022 0.0334 413 ASP b CB +31594 C CG . ASP T 412 ? 1.2603 0.9756 0.9959 -0.0052 -0.0011 0.0327 413 ASP b CG +31595 O OD1 . ASP T 412 ? 1.2663 0.9782 1.0003 -0.0096 0.0017 0.0329 413 ASP b OD1 +31596 O OD2 . ASP T 412 ? 1.1231 0.8488 0.8671 -0.0042 -0.0029 0.0319 413 ASP b OD2 +31597 N N . PRO T 413 ? 0.9794 0.6833 0.7089 -0.0017 -0.0024 0.0314 414 PRO b N +31598 C CA . PRO T 413 ? 1.0595 0.7680 0.7950 -0.0033 -0.0025 0.0301 414 PRO b CA +31599 C C . PRO T 413 ? 0.9979 0.7194 0.7444 -0.0045 -0.0035 0.0292 414 PRO b C +31600 O O . PRO T 413 ? 1.0171 0.7424 0.7689 -0.0083 -0.0024 0.0282 414 PRO b O +31601 C CB . PRO T 413 ? 1.0330 0.7380 0.7646 0.0017 -0.0045 0.0300 414 PRO b CB +31602 C CG . PRO T 413 ? 1.0959 0.7892 0.8165 0.0039 -0.0041 0.0314 414 PRO b CG +31603 C CD . PRO T 413 ? 0.9245 0.6203 0.6455 0.0033 -0.0038 0.0322 414 PRO b CD +31604 N N . PRO T 414 ? 1.1289 0.8574 0.8792 -0.0015 -0.0055 0.0293 415 PRO b N +31605 C CA . PRO T 414 ? 1.0043 0.7448 0.7650 -0.0029 -0.0062 0.0285 415 PRO b CA +31606 C C . PRO T 414 ? 0.9633 0.7064 0.7279 -0.0083 -0.0039 0.0282 415 PRO b C +31607 O O . PRO T 414 ? 0.9908 0.7398 0.7620 -0.0110 -0.0036 0.0272 415 PRO b O +31608 C CB . PRO T 414 ? 0.9363 0.6817 0.6985 0.0007 -0.0082 0.0289 415 PRO b CB +31609 C CG . PRO T 414 ? 1.1584 0.8964 0.9127 0.0053 -0.0095 0.0297 415 PRO b CG +31610 C CD . PRO T 414 ? 1.0390 0.7654 0.7848 0.0035 -0.0074 0.0302 415 PRO b CD +31611 N N . THR T 415 ? 0.9702 0.7090 0.7307 -0.0100 -0.0024 0.0290 416 THR b N +31612 C CA . THR T 415 ? 0.9210 0.6625 0.6853 -0.0150 -0.0001 0.0287 416 THR b CA +31613 C C . THR T 415 ? 0.9897 0.7271 0.7532 -0.0191 0.0019 0.0280 416 THR b C +31614 O O . THR T 415 ? 0.9681 0.7113 0.7382 -0.0228 0.0029 0.0271 416 THR b O +31615 C CB . THR T 415 ? 1.0210 0.7579 0.7801 -0.0156 0.0012 0.0298 416 THR b CB +31616 O OG1 . THR T 415 ? 1.0131 0.7546 0.7736 -0.0120 -0.0009 0.0302 416 THR b OG1 +31617 C CG2 . THR T 415 ? 0.8648 0.6046 0.6279 -0.0208 0.0038 0.0294 416 THR b CG2 +31618 N N . VAL T 416 ? 0.9337 0.6611 0.6893 -0.0183 0.0025 0.0285 417 VAL b N +31619 C CA . VAL T 416 ? 0.8787 0.6016 0.6332 -0.0221 0.0044 0.0278 417 VAL b CA +31620 C C . VAL T 416 ? 0.8563 0.5862 0.6179 -0.0224 0.0031 0.0264 417 VAL b C +31621 O O . VAL T 416 ? 0.8714 0.6039 0.6373 -0.0266 0.0043 0.0254 417 VAL b O +31622 C CB . VAL T 416 ? 0.9323 0.6426 0.6763 -0.0208 0.0051 0.0285 417 VAL b CB +31623 C CG1 . VAL T 416 ? 0.8359 0.5413 0.5786 -0.0252 0.0071 0.0277 417 VAL b CG1 +31624 C CG2 . VAL T 416 ? 1.0032 0.7064 0.7396 -0.0201 0.0062 0.0300 417 VAL b CG2 +31625 N N . LYS T 417 ? 0.9447 0.6776 0.7074 -0.0180 0.0006 0.0263 418 LYS b N +31626 C CA . LYS T 417 ? 0.9816 0.7213 0.7508 -0.0178 -0.0007 0.0251 418 LYS b CA +31627 C C . LYS T 417 ? 0.9551 0.7055 0.7338 -0.0204 -0.0007 0.0244 418 LYS b C +31628 O O . LYS T 417 ? 0.9035 0.6582 0.6874 -0.0229 -0.0006 0.0233 418 LYS b O +31629 C CB . LYS T 417 ? 0.9610 0.7025 0.7299 -0.0124 -0.0032 0.0252 418 LYS b CB +31630 C CG . LYS T 417 ? 0.8595 0.5919 0.6207 -0.0097 -0.0035 0.0254 418 LYS b CG +31631 C CD . LYS T 417 ? 0.9801 0.7132 0.7393 -0.0039 -0.0058 0.0260 418 LYS b CD +31632 C CE . LYS T 417 ? 0.9428 0.6707 0.6974 -0.0005 -0.0068 0.0258 418 LYS b CE +31633 N NZ . LYS T 417 ? 1.0394 0.7715 0.7952 0.0050 -0.0091 0.0261 418 LYS b NZ +31634 N N . SER T 418 ? 0.8513 0.6061 0.6322 -0.0196 -0.0010 0.0250 419 SER b N +31635 C CA . SER T 418 ? 0.8954 0.6600 0.6848 -0.0218 -0.0011 0.0244 419 SER b CA +31636 C C . SER T 418 ? 0.9645 0.7290 0.7561 -0.0272 0.0012 0.0237 419 SER b C +31637 O O . SER T 418 ? 0.8778 0.6495 0.6766 -0.0293 0.0011 0.0227 419 SER b O +31638 C CB . SER T 418 ? 0.9150 0.6825 0.7049 -0.0201 -0.0016 0.0253 419 SER b CB +31639 O OG . SER T 418 ? 1.6135 1.3903 1.4115 -0.0220 -0.0017 0.0247 419 SER b OG +31640 N N . TYR T 419 ? 0.8772 0.6335 0.6627 -0.0294 0.0034 0.0243 420 TYR b N +31641 C CA . TYR T 419 ? 0.8308 0.5874 0.6188 -0.0347 0.0057 0.0235 420 TYR b CA +31642 C C . TYR T 419 ? 0.8531 0.6077 0.6415 -0.0367 0.0059 0.0224 420 TYR b C +31643 O O . TYR T 419 ? 0.8625 0.6210 0.6560 -0.0406 0.0069 0.0213 420 TYR b O +31644 C CB . TYR T 419 ? 0.8546 0.6035 0.6362 -0.0367 0.0082 0.0244 420 TYR b CB +31645 C CG . TYR T 419 ? 0.9195 0.6724 0.7029 -0.0364 0.0085 0.0251 420 TYR b CG +31646 C CD1 . TYR T 419 ? 0.9035 0.6651 0.6949 -0.0390 0.0090 0.0244 420 TYR b CD1 +31647 C CD2 . TYR T 419 ? 0.9410 0.6890 0.7181 -0.0333 0.0082 0.0265 420 TYR b CD2 +31648 C CE1 . TYR T 419 ? 0.8369 0.6021 0.6298 -0.0387 0.0093 0.0250 420 TYR b CE1 +31649 C CE2 . TYR T 419 ? 0.9360 0.6877 0.7147 -0.0331 0.0084 0.0270 420 TYR b CE2 +31650 C CZ . TYR T 419 ? 0.8412 0.6015 0.6279 -0.0358 0.0090 0.0262 420 TYR b CZ +31651 O OH . TYR T 419 ? 1.1110 0.8748 0.8992 -0.0356 0.0093 0.0267 420 TYR b OH +31652 N N . ALA T 420 ? 0.8094 0.5577 0.5922 -0.0341 0.0050 0.0226 421 ALA b N +31653 C CA . ALA T 420 ? 0.9558 0.7020 0.7387 -0.0357 0.0049 0.0214 421 ALA b CA +31654 C C . ALA T 420 ? 0.8809 0.6370 0.6722 -0.0353 0.0031 0.0203 421 ALA b C +31655 O O . ALA T 420 ? 0.8192 0.5774 0.6140 -0.0384 0.0035 0.0190 421 ALA b O +31656 C CB . ALA T 420 ? 0.8141 0.5513 0.5890 -0.0325 0.0043 0.0219 421 ALA b CB +31657 N N . ARG T 421 ? 0.7736 0.5357 0.5680 -0.0315 0.0012 0.0207 422 ARG b N +31658 C CA . ARG T 421 ? 0.8901 0.6619 0.6926 -0.0312 -0.0003 0.0198 422 ARG b CA +31659 C C . ARG T 421 ? 0.7508 0.5288 0.5598 -0.0354 0.0007 0.0190 422 ARG b C +31660 O O . ARG T 421 ? 0.9455 0.7286 0.7597 -0.0370 0.0001 0.0179 422 ARG b O +31661 C CB . ARG T 421 ? 0.7978 0.5751 0.6027 -0.0269 -0.0022 0.0204 422 ARG b CB +31662 C CG . ARG T 421 ? 0.8823 0.6575 0.6842 -0.0227 -0.0039 0.0205 422 ARG b CG +31663 C CD . ARG T 421 ? 0.9682 0.7498 0.7734 -0.0189 -0.0057 0.0210 422 ARG b CD +31664 N NE . ARG T 421 ? 1.1218 0.8980 0.9210 -0.0147 -0.0066 0.0219 422 ARG b NE +31665 C CZ . ARG T 421 ? 1.1467 0.9211 0.9428 -0.0127 -0.0068 0.0229 422 ARG b CZ +31666 N NH1 . ARG T 421 ? 1.0486 0.8267 0.8475 -0.0143 -0.0063 0.0233 422 ARG b NH1 +31667 N NH2 . ARG T 421 ? 1.0129 0.7816 0.8029 -0.0088 -0.0076 0.0235 422 ARG b NH2 +31668 N N . LYS T 422 ? 0.8290 0.6068 0.6378 -0.0372 0.0022 0.0196 423 LYS b N +31669 C CA . LYS T 422 ? 0.7720 0.5558 0.5871 -0.0410 0.0032 0.0189 423 LYS b CA +31670 C C . LYS T 422 ? 0.8670 0.6473 0.6815 -0.0454 0.0049 0.0179 423 LYS b C +31671 O O . LYS T 422 ? 0.7897 0.5759 0.6104 -0.0484 0.0052 0.0168 423 LYS b O +31672 C CB . LYS T 422 ? 0.8357 0.6205 0.6507 -0.0415 0.0044 0.0198 423 LYS b CB +31673 C CG . LYS T 422 ? 0.8319 0.6210 0.6483 -0.0374 0.0026 0.0206 423 LYS b CG +31674 C CD . LYS T 422 ? 0.9354 0.7334 0.7591 -0.0364 0.0007 0.0198 423 LYS b CD +31675 C CE . LYS T 422 ? 1.0046 0.8062 0.8292 -0.0322 -0.0012 0.0205 423 LYS b CE +31676 N NZ . LYS T 422 ? 0.9605 0.7699 0.7916 -0.0312 -0.0029 0.0198 423 LYS b NZ +31677 N N . ALA T 423 ? 0.7421 0.5128 0.5491 -0.0459 0.0061 0.0182 424 ALA b N +31678 C CA . ALA T 423 ? 0.8097 0.5762 0.6156 -0.0505 0.0080 0.0173 424 ALA b CA +31679 C C . ALA T 423 ? 0.8243 0.5928 0.6332 -0.0517 0.0069 0.0158 424 ALA b C +31680 O O . ALA T 423 ? 0.8682 0.6364 0.6789 -0.0559 0.0081 0.0147 424 ALA b O +31681 C CB . ALA T 423 ? 0.7388 0.4936 0.5352 -0.0507 0.0096 0.0182 424 ALA b CB +31682 N N . ILE T 424 ? 0.8028 0.5734 0.6124 -0.0481 0.0046 0.0157 425 ILE b N +31683 C CA . ILE T 424 ? 0.7209 0.4945 0.5340 -0.0492 0.0035 0.0142 425 ILE b CA +31684 C C . ILE T 424 ? 0.7774 0.5607 0.5993 -0.0518 0.0033 0.0131 425 ILE b C +31685 O O . ILE T 424 ? 0.8230 0.6083 0.6480 -0.0540 0.0028 0.0117 425 ILE b O +31686 C CB . ILE T 424 ? 0.8825 0.6572 0.6950 -0.0447 0.0012 0.0142 425 ILE b CB +31687 C CG1 . ILE T 424 ? 0.9543 0.7379 0.7725 -0.0419 -0.0003 0.0147 425 ILE b CG1 +31688 C CG2 . ILE T 424 ? 0.8369 0.6027 0.6411 -0.0416 0.0011 0.0152 425 ILE b CG2 +31689 C CD1 . ILE T 424 ? 0.9025 0.6886 0.7216 -0.0383 -0.0024 0.0145 425 ILE b CD1 +31690 N N . PHE T 425 ? 0.7238 0.5128 0.5497 -0.0516 0.0035 0.0138 426 PHE b N +31691 C CA . PHE T 425 ? 0.7995 0.5975 0.6336 -0.0539 0.0034 0.0128 426 PHE b CA +31692 C C . PHE T 425 ? 0.8096 0.6068 0.6449 -0.0587 0.0057 0.0122 426 PHE b C +31693 O O . PHE T 425 ? 0.7973 0.6019 0.6394 -0.0608 0.0058 0.0114 426 PHE b O +31694 C CB . PHE T 425 ? 0.8291 0.6339 0.6671 -0.0514 0.0026 0.0137 426 PHE b CB +31695 C CG . PHE T 425 ? 0.7959 0.6025 0.6335 -0.0469 0.0005 0.0143 426 PHE b CG +31696 C CD1 . PHE T 425 ? 0.7710 0.5782 0.6091 -0.0456 -0.0011 0.0136 426 PHE b CD1 +31697 C CD2 . PHE T 425 ? 0.7551 0.5628 0.5919 -0.0439 0.0001 0.0156 426 PHE b CD2 +31698 C CE1 . PHE T 425 ? 0.7254 0.5344 0.5633 -0.0414 -0.0029 0.0141 426 PHE b CE1 +31699 C CE2 . PHE T 425 ? 0.7816 0.5914 0.6185 -0.0398 -0.0018 0.0161 426 PHE b CE2 +31700 C CZ . PHE T 425 ? 0.7781 0.5887 0.6156 -0.0386 -0.0032 0.0154 426 PHE b CZ +31701 N N . GLY T 426 ? 0.8363 0.6250 0.6653 -0.0604 0.0076 0.0126 427 GLY b N +31702 C CA . GLY T 426 ? 0.7313 0.5188 0.5610 -0.0649 0.0102 0.0122 427 GLY b CA +31703 C C . GLY T 426 ? 0.8509 0.6365 0.6781 -0.0646 0.0119 0.0136 427 GLY b C +31704 O O . GLY T 426 ? 0.8116 0.5921 0.6329 -0.0613 0.0117 0.0150 427 GLY b O +31705 N N . GLU T 427 ? 0.7597 0.5495 0.5912 -0.0678 0.0137 0.0132 428 GLU b N +31706 C CA . GLU T 427 ? 0.7789 0.5671 0.6080 -0.0677 0.0155 0.0144 428 GLU b CA +31707 C C . GLU T 427 ? 0.9037 0.6968 0.7346 -0.0634 0.0138 0.0154 428 GLU b C +31708 O O . GLU T 427 ? 0.7817 0.5824 0.6185 -0.0619 0.0117 0.0148 428 GLU b O +31709 C CB . GLU T 427 ? 0.8418 0.6340 0.6758 -0.0721 0.0179 0.0136 428 GLU b CB +31710 C CG . GLU T 427 ? 0.8107 0.5965 0.6416 -0.0767 0.0204 0.0128 428 GLU b CG +31711 C CD . GLU T 427 ? 0.8750 0.6498 0.6962 -0.0763 0.0222 0.0143 428 GLU b CD +31712 O OE1 . GLU T 427 ? 0.8458 0.6190 0.6637 -0.0735 0.0224 0.0158 428 GLU b OE1 +31713 O OE2 . GLU T 427 ? 0.9146 0.6821 0.7313 -0.0788 0.0235 0.0139 428 GLU b OE2 +31714 N N . ILE T 428 ? 0.7946 0.5833 0.6202 -0.0617 0.0147 0.0169 429 ILE b N +31715 C CA . ILE T 428 ? 0.7777 0.5689 0.6031 -0.0573 0.0128 0.0180 429 ILE b CA +31716 C C . ILE T 428 ? 0.9071 0.7040 0.7365 -0.0580 0.0138 0.0182 429 ILE b C +31717 O O . ILE T 428 ? 0.8070 0.6011 0.6345 -0.0605 0.0164 0.0185 429 ILE b O +31718 C CB . ILE T 428 ? 0.7648 0.5471 0.5812 -0.0542 0.0127 0.0195 429 ILE b CB +31719 C CG1 . ILE T 428 ? 0.7373 0.5143 0.5499 -0.0532 0.0116 0.0192 429 ILE b CG1 +31720 C CG2 . ILE T 428 ? 0.8069 0.5922 0.6234 -0.0499 0.0109 0.0204 429 ILE b CG2 +31721 C CD1 . ILE T 428 ? 0.7563 0.5232 0.5593 -0.0507 0.0119 0.0205 429 ILE b CD1 +31722 N N . PHE T 429 ? 0.8128 0.6175 0.6477 -0.0556 0.0118 0.0181 430 PHE b N +31723 C CA . PHE T 429 ? 0.8000 0.6109 0.6396 -0.0562 0.0124 0.0181 430 PHE b CA +31724 C C . PHE T 429 ? 0.8048 0.6177 0.6437 -0.0521 0.0107 0.0191 430 PHE b C +31725 O O . PHE T 429 ? 0.7712 0.5834 0.6085 -0.0489 0.0085 0.0195 430 PHE b O +31726 C CB . PHE T 429 ? 0.7016 0.5215 0.5501 -0.0583 0.0119 0.0166 430 PHE b CB +31727 C CG . PHE T 429 ? 0.7812 0.6006 0.6314 -0.0629 0.0142 0.0155 430 PHE b CG +31728 C CD1 . PHE T 429 ? 0.7716 0.5876 0.6206 -0.0647 0.0142 0.0147 430 PHE b CD1 +31729 C CD2 . PHE T 429 ? 0.7650 0.5871 0.6178 -0.0653 0.0164 0.0153 430 PHE b CD2 +31730 C CE1 . PHE T 429 ? 0.8192 0.6347 0.6699 -0.0692 0.0163 0.0136 430 PHE b CE1 +31731 C CE2 . PHE T 429 ? 0.8007 0.6227 0.6555 -0.0697 0.0186 0.0142 430 PHE b CE2 +31732 C CZ . PHE T 429 ? 0.7763 0.5950 0.6301 -0.0717 0.0186 0.0134 430 PHE b CZ +31733 N N . GLU T 430 ? 0.7440 0.5590 0.5837 -0.0523 0.0117 0.0195 431 GLU b N +31734 C CA . GLU T 430 ? 0.7952 0.6134 0.6356 -0.0490 0.0101 0.0203 431 GLU b CA +31735 C C . GLU T 430 ? 0.7499 0.5778 0.5988 -0.0490 0.0088 0.0193 431 GLU b C +31736 O O . GLU T 430 ? 0.8215 0.6535 0.6752 -0.0520 0.0100 0.0184 431 GLU b O +31737 C CB . GLU T 430 ? 0.8244 0.6397 0.6610 -0.0491 0.0118 0.0211 431 GLU b CB +31738 C CG . GLU T 430 ? 1.0476 0.8667 0.8853 -0.0460 0.0102 0.0217 431 GLU b CG +31739 C CD . GLU T 430 ? 1.3104 1.1259 1.1433 -0.0420 0.0080 0.0226 431 GLU b CD +31740 O OE1 . GLU T 430 ? 1.3080 1.1158 1.1343 -0.0415 0.0085 0.0232 431 GLU b OE1 +31741 O OE2 . GLU T 430 ? 1.5701 1.3904 1.4059 -0.0393 0.0059 0.0227 431 GLU b OE2 +31742 N N . PHE T 431 ? 0.7486 0.5801 0.5994 -0.0458 0.0062 0.0195 432 PHE b N +31743 C CA . PHE T 431 ? 0.7822 0.6223 0.6406 -0.0455 0.0048 0.0188 432 PHE b CA +31744 C C . PHE T 431 ? 0.8240 0.6675 0.6834 -0.0428 0.0035 0.0194 432 PHE b C +31745 O O . PHE T 431 ? 0.7572 0.5976 0.6124 -0.0400 0.0024 0.0203 432 PHE b O +31746 C CB . PHE T 431 ? 0.6725 0.5146 0.5331 -0.0444 0.0028 0.0182 432 PHE b CB +31747 C CG . PHE T 431 ? 0.7426 0.5828 0.6034 -0.0472 0.0037 0.0173 432 PHE b CG +31748 C CD1 . PHE T 431 ? 0.7127 0.5454 0.5676 -0.0473 0.0042 0.0176 432 PHE b CD1 +31749 C CD2 . PHE T 431 ? 0.7375 0.5833 0.6045 -0.0496 0.0038 0.0161 432 PHE b CD2 +31750 C CE1 . PHE T 431 ? 0.7925 0.6232 0.6475 -0.0500 0.0049 0.0167 432 PHE b CE1 +31751 C CE2 . PHE T 431 ? 0.6833 0.5276 0.5508 -0.0523 0.0045 0.0151 432 PHE b CE2 +31752 C CZ . PHE T 431 ? 0.6750 0.5118 0.5366 -0.0525 0.0050 0.0154 432 PHE b CZ +31753 N N . ASP T 432 ? 0.7257 0.5758 0.5909 -0.0436 0.0035 0.0188 433 ASP b N +31754 C CA . ASP T 432 ? 0.7413 0.5959 0.6089 -0.0412 0.0019 0.0191 433 ASP b CA +31755 C C . ASP T 432 ? 0.7863 0.6455 0.6581 -0.0397 -0.0003 0.0187 433 ASP b C +31756 O O . ASP T 432 ? 0.7123 0.5760 0.5891 -0.0413 -0.0004 0.0178 433 ASP b O +31757 C CB . ASP T 432 ? 0.6969 0.5556 0.5681 -0.0427 0.0031 0.0187 433 ASP b CB +31758 C CG . ASP T 432 ? 0.8486 0.7131 0.7238 -0.0407 0.0014 0.0187 433 ASP b CG +31759 O OD1 . ASP T 432 ? 0.7551 0.6201 0.6297 -0.0380 -0.0007 0.0192 433 ASP b OD1 +31760 O OD2 . ASP T 432 ? 0.8015 0.6703 0.6806 -0.0418 0.0021 0.0183 433 ASP b OD2 +31761 N N . THR T 433 ? 0.7545 0.6125 0.6240 -0.0367 -0.0020 0.0193 434 THR b N +31762 C CA . THR T 433 ? 0.7554 0.6177 0.6285 -0.0351 -0.0040 0.0190 434 THR b CA +31763 C C . THR T 433 ? 0.8333 0.7010 0.7099 -0.0333 -0.0054 0.0192 434 THR b C +31764 O O . THR T 433 ? 0.8415 0.7130 0.7213 -0.0320 -0.0069 0.0189 434 THR b O +31765 C CB . THR T 433 ? 0.7705 0.6285 0.6393 -0.0329 -0.0050 0.0195 434 THR b CB +31766 O OG1 . THR T 433 ? 0.7997 0.6546 0.6642 -0.0306 -0.0055 0.0204 434 THR b OG1 +31767 C CG2 . THR T 433 ? 0.7770 0.6294 0.6422 -0.0347 -0.0037 0.0193 434 THR b CG2 +31768 N N . GLU T 434 ? 0.7750 0.6426 0.6507 -0.0331 -0.0049 0.0195 435 GLU b N +31769 C CA . GLU T 434 ? 0.8137 0.6855 0.6918 -0.0314 -0.0062 0.0197 435 GLU b CA +31770 C C . GLU T 434 ? 0.7359 0.6138 0.6200 -0.0328 -0.0061 0.0190 435 GLU b C +31771 O O . GLU T 434 ? 0.7871 0.6695 0.6748 -0.0316 -0.0075 0.0189 435 GLU b O +31772 C CB . GLU T 434 ? 0.8575 0.7260 0.7313 -0.0304 -0.0058 0.0203 435 GLU b CB +31773 C CG . GLU T 434 ? 1.1998 1.0629 1.0678 -0.0282 -0.0065 0.0211 435 GLU b CG +31774 C CD . GLU T 434 ? 1.8564 1.7223 1.7259 -0.0254 -0.0088 0.0212 435 GLU b CD +31775 O OE1 . GLU T 434 ? 2.2402 2.1074 2.1094 -0.0235 -0.0100 0.0214 435 GLU b OE1 +31776 O OE2 . GLU T 434 ? 1.7262 1.5933 1.5975 -0.0251 -0.0094 0.0209 435 GLU b OE2 +31777 N N . THR T 435 ? 0.7645 0.6424 0.6496 -0.0353 -0.0043 0.0186 436 THR b N +31778 C CA . THR T 435 ? 0.7067 0.5901 0.5972 -0.0364 -0.0041 0.0179 436 THR b CA +31779 C C . THR T 435 ? 0.7702 0.6583 0.6655 -0.0361 -0.0055 0.0174 436 THR b C +31780 O O . THR T 435 ? 0.7743 0.6668 0.6732 -0.0353 -0.0065 0.0173 436 THR b O +31781 C CB . THR T 435 ? 0.7704 0.6531 0.6614 -0.0393 -0.0019 0.0174 436 THR b CB +31782 O OG1 . THR T 435 ? 0.7712 0.6492 0.6574 -0.0395 -0.0004 0.0179 436 THR b OG1 +31783 C CG2 . THR T 435 ? 0.6602 0.5486 0.5568 -0.0403 -0.0016 0.0166 436 THR b CG2 +31784 N N . LEU T 436 ? 0.7376 0.6246 0.6327 -0.0366 -0.0057 0.0171 437 LEU b N +31785 C CA . LEU T 436 ? 0.6248 0.5159 0.5239 -0.0362 -0.0071 0.0167 437 LEU b CA +31786 C C . LEU T 436 ? 0.6740 0.5642 0.5716 -0.0339 -0.0086 0.0171 437 LEU b C +31787 O O . LEU T 436 ? 0.7214 0.6141 0.6214 -0.0336 -0.0096 0.0168 437 LEU b O +31788 C CB . LEU T 436 ? 0.6255 0.5168 0.5263 -0.0384 -0.0065 0.0158 437 LEU b CB +31789 C CG . LEU T 436 ? 0.8129 0.7047 0.7151 -0.0410 -0.0047 0.0152 437 LEU b CG +31790 C CD1 . LEU T 436 ? 0.7564 0.6483 0.6601 -0.0431 -0.0043 0.0143 437 LEU b CD1 +31791 C CD2 . LEU T 436 ? 0.7873 0.6842 0.6938 -0.0410 -0.0048 0.0149 437 LEU b CD2 +31792 N N . ASN T 437 ? 0.6746 0.5614 0.5681 -0.0323 -0.0088 0.0179 438 ASN b N +31793 C CA . ASN T 437 ? 0.7062 0.5917 0.5977 -0.0300 -0.0102 0.0183 438 ASN b CA +31794 C C . ASN T 437 ? 0.8208 0.7045 0.7116 -0.0305 -0.0101 0.0179 438 ASN b C +31795 O O . ASN T 437 ? 0.7652 0.6513 0.6581 -0.0297 -0.0112 0.0177 438 ASN b O +31796 C CB . ASN T 437 ? 0.7493 0.6398 0.6444 -0.0283 -0.0116 0.0183 438 ASN b CB +31797 C CG . ASN T 437 ? 1.0106 0.9003 0.9041 -0.0259 -0.0129 0.0187 438 ASN b CG +31798 O OD1 . ASN T 437 ? 1.0150 0.9002 0.9041 -0.0248 -0.0128 0.0191 438 ASN b OD1 +31799 N ND2 . ASN T 437 ? 0.9536 0.8476 0.8506 -0.0249 -0.0140 0.0186 438 ASN b ND2 +31800 N N . SER T 438 ? 0.7614 0.6405 0.6490 -0.0321 -0.0088 0.0178 439 SER b N +31801 C CA . SER T 438 ? 0.6822 0.5592 0.5690 -0.0331 -0.0086 0.0173 439 SER b CA +31802 C C . SER T 438 ? 0.7346 0.6088 0.6182 -0.0307 -0.0097 0.0177 439 SER b C +31803 O O . SER T 438 ? 0.7369 0.6084 0.6170 -0.0288 -0.0099 0.0184 439 SER b O +31804 C CB . SER T 438 ? 0.6626 0.5351 0.5465 -0.0355 -0.0069 0.0171 439 SER b CB +31805 O OG . SER T 438 ? 0.7178 0.5933 0.6051 -0.0378 -0.0058 0.0166 439 SER b OG +31806 N N . ASP T 439 ? 0.6514 0.5266 0.5362 -0.0306 -0.0103 0.0172 440 ASP b N +31807 C CA . ASP T 439 ? 0.6948 0.5679 0.5770 -0.0281 -0.0113 0.0175 440 ASP b CA +31808 C C . ASP T 439 ? 0.7116 0.5782 0.5887 -0.0285 -0.0106 0.0174 440 ASP b C +31809 O O . ASP T 439 ? 0.7850 0.6490 0.6591 -0.0262 -0.0113 0.0177 440 ASP b O +31810 C CB . ASP T 439 ? 0.6834 0.5610 0.5693 -0.0274 -0.0124 0.0170 440 ASP b CB +31811 C CG . ASP T 439 ? 0.7653 0.6445 0.6538 -0.0298 -0.0122 0.0161 440 ASP b CG +31812 O OD1 . ASP T 439 ? 0.6923 0.5679 0.5788 -0.0318 -0.0113 0.0156 440 ASP b OD1 +31813 O OD2 . ASP T 439 ? 0.7001 0.5841 0.5927 -0.0297 -0.0129 0.0158 440 ASP b OD2 +31814 N N . GLY T 440 ? 0.6699 0.5335 0.5457 -0.0312 -0.0093 0.0170 441 GLY b N +31815 C CA . GLY T 440 ? 0.6322 0.4890 0.5027 -0.0316 -0.0086 0.0170 441 GLY b CA +31816 C C . GLY T 440 ? 0.6976 0.5534 0.5681 -0.0324 -0.0089 0.0162 441 GLY b C +31817 O O . GLY T 440 ? 0.7274 0.5773 0.5932 -0.0322 -0.0085 0.0162 441 GLY b O +31818 N N . ILE T 441 ? 0.7052 0.5663 0.5806 -0.0332 -0.0096 0.0154 442 ILE b N +31819 C CA . ILE T 441 ? 0.6319 0.4926 0.5075 -0.0337 -0.0101 0.0146 442 ILE b CA +31820 C C . ILE T 441 ? 0.6949 0.5578 0.5739 -0.0371 -0.0096 0.0135 442 ILE b C +31821 O O . ILE T 441 ? 0.6780 0.5461 0.5616 -0.0380 -0.0096 0.0134 442 ILE b O +31822 C CB . ILE T 441 ? 0.6827 0.5478 0.5609 -0.0314 -0.0116 0.0146 442 ILE b CB +31823 C CG1 . ILE T 441 ? 0.6806 0.5444 0.5563 -0.0280 -0.0121 0.0155 442 ILE b CG1 +31824 C CG2 . ILE T 441 ? 0.6743 0.5384 0.5521 -0.0317 -0.0122 0.0137 442 ILE b CG2 +31825 C CD1 . ILE T 441 ? 0.6927 0.5611 0.5712 -0.0258 -0.0134 0.0156 442 ILE b CD1 +31826 N N . PHE T 442 ? 0.6664 0.5252 0.5431 -0.0390 -0.0091 0.0128 443 PHE b N +31827 C CA . PHE T 442 ? 0.7573 0.6178 0.6370 -0.0425 -0.0084 0.0117 443 PHE b CA +31828 C C . PHE T 442 ? 0.8137 0.6809 0.6990 -0.0428 -0.0097 0.0109 443 PHE b C +31829 O O . PHE T 442 ? 0.6381 0.5068 0.5238 -0.0410 -0.0110 0.0108 443 PHE b O +31830 C CB . PHE T 442 ? 0.6946 0.5495 0.5707 -0.0444 -0.0078 0.0109 443 PHE b CB +31831 C CG . PHE T 442 ? 0.6745 0.5222 0.5448 -0.0446 -0.0064 0.0116 443 PHE b CG +31832 C CD1 . PHE T 442 ? 0.7328 0.5798 0.6029 -0.0462 -0.0048 0.0120 443 PHE b CD1 +31833 C CD2 . PHE T 442 ? 0.6815 0.5229 0.5463 -0.0432 -0.0066 0.0118 443 PHE b CD2 +31834 C CE1 . PHE T 442 ? 0.7504 0.5902 0.6147 -0.0464 -0.0034 0.0128 443 PHE b CE1 +31835 C CE2 . PHE T 442 ? 0.7748 0.6090 0.6337 -0.0433 -0.0053 0.0125 443 PHE b CE2 +31836 C CZ . PHE T 442 ? 0.7239 0.5572 0.5825 -0.0450 -0.0037 0.0130 443 PHE b CZ +31837 N N . ARG T 443 ? 0.5933 0.4643 0.4828 -0.0452 -0.0091 0.0103 444 ARG b N +31838 C CA . ARG T 443 ? 0.7043 0.5813 0.5990 -0.0458 -0.0102 0.0094 444 ARG b CA +31839 C C . ARG T 443 ? 0.7142 0.5914 0.6107 -0.0492 -0.0097 0.0079 444 ARG b C +31840 O O . ARG T 443 ? 0.7215 0.5951 0.6161 -0.0514 -0.0082 0.0077 444 ARG b O +31841 C CB . ARG T 443 ? 0.6689 0.5514 0.5677 -0.0451 -0.0102 0.0099 444 ARG b CB +31842 C CG . ARG T 443 ? 0.7201 0.6035 0.6181 -0.0418 -0.0112 0.0110 444 ARG b CG +31843 C CD . ARG T 443 ? 0.6812 0.5682 0.5818 -0.0410 -0.0110 0.0117 444 ARG b CD +31844 N NE . ARG T 443 ? 0.7038 0.5926 0.6045 -0.0381 -0.0120 0.0126 444 ARG b NE +31845 C CZ . ARG T 443 ? 0.6820 0.5678 0.5791 -0.0360 -0.0120 0.0135 444 ARG b CZ +31846 N NH1 . ARG T 443 ? 0.6584 0.5385 0.5509 -0.0361 -0.0113 0.0137 444 ARG b NH1 +31847 N NH2 . ARG T 443 ? 0.7409 0.6295 0.6393 -0.0338 -0.0128 0.0142 444 ARG b NH2 +31848 N N . THR T 444 ? 0.6677 0.5489 0.5678 -0.0497 -0.0111 0.0069 445 THR b N +31849 C CA . THR T 444 ? 0.6570 0.5391 0.5593 -0.0529 -0.0108 0.0053 445 THR b CA +31850 C C . THR T 444 ? 0.7152 0.6025 0.6226 -0.0545 -0.0101 0.0050 445 THR b C +31851 O O . THR T 444 ? 0.7070 0.5973 0.6162 -0.0530 -0.0100 0.0058 445 THR b O +31852 C CB . THR T 444 ? 0.7346 0.6185 0.6383 -0.0528 -0.0127 0.0042 445 THR b CB +31853 O OG1 . THR T 444 ? 0.7135 0.5978 0.6190 -0.0561 -0.0125 0.0026 445 THR b OG1 +31854 C CG2 . THR T 444 ? 0.5984 0.4889 0.5066 -0.0511 -0.0142 0.0042 445 THR b CG2 +31855 N N . SER T 445 ? 0.7076 0.5957 0.6172 -0.0577 -0.0095 0.0036 446 SER b N +31856 C CA . SER T 445 ? 0.6623 0.5550 0.5767 -0.0595 -0.0085 0.0031 446 SER b CA +31857 C C . SER T 445 ? 0.5992 0.4987 0.5193 -0.0596 -0.0102 0.0019 446 SER b C +31858 O O . SER T 445 ? 0.6439 0.5438 0.5636 -0.0583 -0.0121 0.0015 446 SER b O +31859 C CB . SER T 445 ? 0.7059 0.5957 0.6195 -0.0631 -0.0065 0.0023 446 SER b CB +31860 O OG . SER T 445 ? 0.6787 0.5684 0.5932 -0.0650 -0.0075 0.0007 446 SER b OG +31861 N N . PRO T 446 ? 0.7139 0.6185 0.6390 -0.0608 -0.0096 0.0013 447 PRO b N +31862 C CA . PRO T 446 ? 0.6282 0.5390 0.5585 -0.0608 -0.0115 0.0000 447 PRO b CA +31863 C C . PRO T 446 ? 0.6280 0.5382 0.5587 -0.0628 -0.0125 -0.0017 447 PRO b C +31864 O O . PRO T 446 ? 0.7104 0.6242 0.6435 -0.0620 -0.0146 -0.0025 447 PRO b O +31865 C CB . PRO T 446 ? 0.6523 0.5678 0.5874 -0.0622 -0.0102 -0.0005 447 PRO b CB +31866 C CG . PRO T 446 ? 0.6798 0.5923 0.6121 -0.0617 -0.0082 0.0010 447 PRO b CG +31867 C CD . PRO T 446 ? 0.6408 0.5462 0.5670 -0.0619 -0.0075 0.0017 447 PRO b CD +31868 N N . ARG T 447 ? 0.7150 0.6208 0.6431 -0.0655 -0.0111 -0.0022 448 ARG b N +31869 C CA . ARG T 447 ? 0.6665 0.5710 0.5944 -0.0674 -0.0121 -0.0038 448 ARG b CA +31870 C C . ARG T 447 ? 0.6578 0.5597 0.5821 -0.0650 -0.0141 -0.0035 448 ARG b C +31871 O O . ARG T 447 ? 0.6442 0.5483 0.5702 -0.0651 -0.0161 -0.0047 448 ARG b O +31872 C CB . ARG T 447 ? 0.6887 0.5878 0.6136 -0.0706 -0.0100 -0.0041 448 ARG b CB +31873 C CG . ARG T 447 ? 0.6759 0.5744 0.6017 -0.0735 -0.0107 -0.0061 448 ARG b CG +31874 C CD . ARG T 447 ? 0.6428 0.5353 0.5652 -0.0767 -0.0085 -0.0064 448 ARG b CD +31875 N NE . ARG T 447 ? 0.6737 0.5681 0.5990 -0.0794 -0.0060 -0.0066 448 ARG b NE +31876 C CZ . ARG T 447 ? 0.7164 0.6157 0.6473 -0.0824 -0.0057 -0.0084 448 ARG b CZ +31877 N NH1 . ARG T 447 ? 0.6748 0.5781 0.6093 -0.0831 -0.0080 -0.0102 448 ARG b NH1 +31878 N NH2 . ARG T 447 ? 0.6791 0.5795 0.6121 -0.0848 -0.0031 -0.0085 448 ARG b NH2 +31879 N N . GLY T 448 ? 0.6779 0.5749 0.5971 -0.0628 -0.0136 -0.0018 449 GLY b N +31880 C CA . GLY T 448 ? 0.6195 0.5145 0.5355 -0.0601 -0.0154 -0.0014 449 GLY b CA +31881 C C . GLY T 448 ? 0.7508 0.6512 0.6700 -0.0577 -0.0173 -0.0013 449 GLY b C +31882 O O . GLY T 448 ? 0.6830 0.5841 0.6020 -0.0569 -0.0192 -0.0020 449 GLY b O +31883 N N . TRP T 449 ? 0.6921 0.5965 0.6143 -0.0566 -0.0168 -0.0004 450 TRP b N +31884 C CA . TRP T 449 ? 0.6587 0.5677 0.5835 -0.0542 -0.0185 -0.0001 450 TRP b CA +31885 C C . TRP T 449 ? 0.6124 0.5263 0.5417 -0.0554 -0.0201 -0.0019 450 TRP b C +31886 O O . TRP T 449 ? 0.6323 0.5480 0.5619 -0.0537 -0.0221 -0.0022 450 TRP b O +31887 C CB . TRP T 449 ? 0.6553 0.5670 0.5820 -0.0528 -0.0176 0.0011 450 TRP b CB +31888 C CG . TRP T 449 ? 0.6909 0.5990 0.6134 -0.0505 -0.0169 0.0029 450 TRP b CG +31889 C CD1 . TRP T 449 ? 0.6307 0.5363 0.5514 -0.0506 -0.0151 0.0040 450 TRP b CD1 +31890 C CD2 . TRP T 449 ? 0.5626 0.4690 0.4822 -0.0479 -0.0181 0.0037 450 TRP b CD2 +31891 N NE1 . TRP T 449 ? 0.6323 0.5351 0.5494 -0.0481 -0.0152 0.0053 450 TRP b NE1 +31892 C CE2 . TRP T 449 ? 0.6191 0.5223 0.5356 -0.0465 -0.0169 0.0052 450 TRP b CE2 +31893 C CE3 . TRP T 449 ? 0.6305 0.5378 0.5498 -0.0466 -0.0199 0.0033 450 TRP b CE3 +31894 C CZ2 . TRP T 449 ? 0.6260 0.5274 0.5395 -0.0439 -0.0175 0.0062 450 TRP b CZ2 +31895 C CZ3 . TRP T 449 ? 0.7142 0.6194 0.6303 -0.0440 -0.0203 0.0044 450 TRP b CZ3 +31896 C CH2 . TRP T 449 ? 0.5744 0.4769 0.4879 -0.0427 -0.0191 0.0058 450 TRP b CH2 +31897 N N . PHE T 450 ? 0.6202 0.5365 0.5530 -0.0582 -0.0193 -0.0031 451 PHE b N +31898 C CA . PHE T 450 ? 0.6490 0.5703 0.5865 -0.0593 -0.0209 -0.0049 451 PHE b CA +31899 C C . PHE T 450 ? 0.6970 0.6161 0.6322 -0.0596 -0.0227 -0.0060 451 PHE b C +31900 O O . PHE T 450 ? 0.6740 0.5963 0.6110 -0.0584 -0.0250 -0.0068 451 PHE b O +31901 C CB . PHE T 450 ? 0.6638 0.5876 0.6052 -0.0626 -0.0195 -0.0061 451 PHE b CB +31902 C CG . PHE T 450 ? 0.6729 0.6024 0.6195 -0.0637 -0.0213 -0.0081 451 PHE b CG +31903 C CD1 . PHE T 450 ? 0.6174 0.5458 0.5636 -0.0654 -0.0226 -0.0098 451 PHE b CD1 +31904 C CD2 . PHE T 450 ? 0.6980 0.6338 0.6499 -0.0629 -0.0217 -0.0084 451 PHE b CD2 +31905 C CE1 . PHE T 450 ? 0.7628 0.6965 0.7137 -0.0663 -0.0245 -0.0117 451 PHE b CE1 +31906 C CE2 . PHE T 450 ? 0.7362 0.6774 0.6929 -0.0636 -0.0236 -0.0103 451 PHE b CE2 +31907 C CZ . PHE T 450 ? 0.7660 0.7063 0.7223 -0.0654 -0.0250 -0.0120 451 PHE b CZ +31908 N N . THR T 451 ? 0.6995 0.6129 0.6306 -0.0611 -0.0218 -0.0061 452 THR b N +31909 C CA . THR T 451 ? 0.7074 0.6181 0.6361 -0.0618 -0.0233 -0.0074 452 THR b CA +31910 C C . THR T 451 ? 0.6091 0.5185 0.5346 -0.0585 -0.0250 -0.0066 452 THR b C +31911 O O . THR T 451 ? 0.6818 0.5925 0.6076 -0.0581 -0.0272 -0.0077 452 THR b O +31912 C CB . THR T 451 ? 0.6599 0.5642 0.5845 -0.0641 -0.0216 -0.0075 452 THR b CB +31913 O OG1 . THR T 451 ? 0.6852 0.5910 0.6131 -0.0674 -0.0200 -0.0084 452 THR b OG1 +31914 C CG2 . THR T 451 ? 0.6194 0.5201 0.5409 -0.0647 -0.0231 -0.0088 452 THR b CG2 +31915 N N . PHE T 452 ? 0.6935 0.6001 0.6157 -0.0561 -0.0241 -0.0047 453 PHE b N +31916 C CA . PHE T 452 ? 0.7298 0.6354 0.6491 -0.0530 -0.0254 -0.0038 453 PHE b CA +31917 C C . PHE T 452 ? 0.6495 0.5606 0.5723 -0.0515 -0.0273 -0.0042 453 PHE b C +31918 O O . PHE T 452 ? 0.6708 0.5819 0.5924 -0.0505 -0.0292 -0.0048 453 PHE b O +31919 C CB . PHE T 452 ? 0.6183 0.5214 0.5348 -0.0508 -0.0239 -0.0018 453 PHE b CB +31920 C CG . PHE T 452 ? 0.6885 0.5914 0.6028 -0.0476 -0.0250 -0.0008 453 PHE b CG +31921 C CD1 . PHE T 452 ? 0.6184 0.5179 0.5288 -0.0467 -0.0260 -0.0013 453 PHE b CD1 +31922 C CD2 . PHE T 452 ? 0.6396 0.5456 0.5556 -0.0454 -0.0249 0.0005 453 PHE b CD2 +31923 C CE1 . PHE T 452 ? 0.6688 0.5681 0.5771 -0.0438 -0.0268 -0.0004 453 PHE b CE1 +31924 C CE2 . PHE T 452 ? 0.7082 0.6140 0.6222 -0.0427 -0.0257 0.0014 453 PHE b CE2 +31925 C CZ . PHE T 452 ? 0.6420 0.5445 0.5522 -0.0419 -0.0266 0.0009 453 PHE b CZ +31926 N N . ALA T 453 ? 0.7253 0.6410 0.6523 -0.0513 -0.0269 -0.0037 454 ALA b N +31927 C CA . ALA T 453 ? 0.7153 0.6359 0.6453 -0.0495 -0.0286 -0.0038 454 ALA b CA +31928 C C . ALA T 453 ? 0.6679 0.5913 0.6004 -0.0508 -0.0306 -0.0059 454 ALA b C +31929 O O . ALA T 453 ? 0.6768 0.6017 0.6091 -0.0491 -0.0326 -0.0062 454 ALA b O +31930 C CB . ALA T 453 ? 0.6486 0.5734 0.5827 -0.0493 -0.0276 -0.0031 454 ALA b CB +31931 N N . HIS T 454 ? 0.6372 0.5612 0.5720 -0.0539 -0.0301 -0.0074 455 HIS b N +31932 C CA . HIS T 454 ? 0.6227 0.5502 0.5607 -0.0552 -0.0322 -0.0095 455 HIS b CA +31933 C C . HIS T 454 ? 0.6452 0.5690 0.5792 -0.0554 -0.0337 -0.0105 455 HIS b C +31934 O O . HIS T 454 ? 0.7085 0.6348 0.6438 -0.0550 -0.0361 -0.0118 455 HIS b O +31935 C CB . HIS T 454 ? 0.5904 0.5210 0.5331 -0.0584 -0.0311 -0.0108 455 HIS b CB +31936 C CG . HIS T 454 ? 0.6946 0.6306 0.6422 -0.0578 -0.0305 -0.0104 455 HIS b CG +31937 N ND1 . HIS T 454 ? 0.6397 0.5749 0.5870 -0.0574 -0.0282 -0.0087 455 HIS b ND1 +31938 C CD2 . HIS T 454 ? 0.6188 0.5609 0.5712 -0.0571 -0.0321 -0.0113 455 HIS b CD2 +31939 C CE1 . HIS T 454 ? 0.6758 0.6162 0.6276 -0.0566 -0.0283 -0.0087 455 HIS b CE1 +31940 N NE2 . HIS T 454 ? 0.6464 0.5911 0.6014 -0.0564 -0.0306 -0.0102 455 HIS b NE2 +31941 N N . ALA T 455 ? 0.5922 0.5098 0.5212 -0.0557 -0.0325 -0.0098 456 ALA b N +31942 C CA . ALA T 455 ? 0.6308 0.5444 0.5554 -0.0554 -0.0339 -0.0106 456 ALA b CA +31943 C C . ALA T 455 ? 0.6849 0.5985 0.6070 -0.0519 -0.0354 -0.0097 456 ALA b C +31944 O O . ALA T 455 ? 0.6909 0.6043 0.6116 -0.0513 -0.0375 -0.0107 456 ALA b O +31945 C CB . ALA T 455 ? 0.6703 0.5771 0.5900 -0.0565 -0.0321 -0.0101 456 ALA b CB +31946 N N . VAL T 456 ? 0.6417 0.5553 0.5630 -0.0496 -0.0342 -0.0077 457 VAL b N +31947 C CA . VAL T 456 ? 0.6850 0.5985 0.6040 -0.0464 -0.0353 -0.0067 457 VAL b CA +31948 C C . VAL T 456 ? 0.6337 0.5524 0.5562 -0.0456 -0.0375 -0.0074 457 VAL b C +31949 O O . VAL T 456 ? 0.6711 0.5895 0.5914 -0.0439 -0.0392 -0.0077 457 VAL b O +31950 C CB . VAL T 456 ? 0.7647 0.6773 0.6825 -0.0445 -0.0335 -0.0044 457 VAL b CB +31951 C CG1 . VAL T 456 ? 0.6256 0.5393 0.5422 -0.0414 -0.0345 -0.0034 457 VAL b CG1 +31952 C CG2 . VAL T 456 ? 0.6972 0.6039 0.6104 -0.0446 -0.0318 -0.0037 457 VAL b CG2 +31953 N N . PHE T 457 ? 0.7151 0.6387 0.6429 -0.0466 -0.0373 -0.0077 458 PHE b N +31954 C CA . PHE T 457 ? 0.6614 0.5900 0.5926 -0.0455 -0.0394 -0.0085 458 PHE b CA +31955 C C . PHE T 457 ? 0.6840 0.6135 0.6157 -0.0467 -0.0418 -0.0107 458 PHE b C +31956 O O . PHE T 457 ? 0.7016 0.6330 0.6332 -0.0450 -0.0440 -0.0112 458 PHE b O +31957 C CB . PHE T 457 ? 0.6100 0.5437 0.5469 -0.0464 -0.0386 -0.0085 458 PHE b CB +31958 C CG . PHE T 457 ? 0.7685 0.7023 0.7055 -0.0448 -0.0369 -0.0064 458 PHE b CG +31959 C CD1 . PHE T 457 ? 0.6757 0.6077 0.6094 -0.0420 -0.0371 -0.0049 458 PHE b CD1 +31960 C CD2 . PHE T 457 ? 0.6791 0.6148 0.6194 -0.0461 -0.0350 -0.0061 458 PHE b CD2 +31961 C CE1 . PHE T 457 ? 0.9436 0.8759 0.8775 -0.0406 -0.0355 -0.0031 458 PHE b CE1 +31962 C CE2 . PHE T 457 ? 0.7436 0.6795 0.6839 -0.0446 -0.0335 -0.0043 458 PHE b CE2 +31963 C CZ . PHE T 457 ? 0.7939 0.7281 0.7311 -0.0419 -0.0338 -0.0028 458 PHE b CZ +31964 N N . ALA T 458 ? 0.6682 0.5963 0.6003 -0.0497 -0.0413 -0.0121 459 ALA b N +31965 C CA . ALA T 458 ? 0.7356 0.6645 0.6684 -0.0512 -0.0436 -0.0144 459 ALA b CA +31966 C C . ALA T 458 ? 0.6683 0.5930 0.5954 -0.0494 -0.0451 -0.0144 459 ALA b C +31967 O O . ALA T 458 ? 0.6586 0.5851 0.5857 -0.0485 -0.0477 -0.0156 459 ALA b O +31968 C CB . ALA T 458 ? 0.5875 0.5151 0.5216 -0.0550 -0.0424 -0.0158 459 ALA b CB +31969 N N . LEU T 459 ? 0.7066 0.6257 0.6286 -0.0488 -0.0435 -0.0131 460 LEU b N +31970 C CA . LEU T 459 ? 0.6976 0.6125 0.6138 -0.0468 -0.0446 -0.0129 460 LEU b CA +31971 C C . LEU T 459 ? 0.7104 0.6276 0.6262 -0.0436 -0.0460 -0.0121 460 LEU b C +31972 O O . LEU T 459 ? 0.7775 0.6945 0.6913 -0.0425 -0.0483 -0.0130 460 LEU b O +31973 C CB . LEU T 459 ? 0.6392 0.5483 0.5506 -0.0462 -0.0423 -0.0114 460 LEU b CB +31974 C CG . LEU T 459 ? 0.9245 0.8284 0.8297 -0.0447 -0.0430 -0.0115 460 LEU b CG +31975 C CD1 . LEU T 459 ? 0.7542 0.6564 0.6584 -0.0469 -0.0446 -0.0139 460 LEU b CD1 +31976 C CD2 . LEU T 459 ? 0.7380 0.6369 0.6392 -0.0440 -0.0406 -0.0100 460 LEU b CD2 +31977 N N . LEU T 460 ? 0.7465 0.6660 0.6643 -0.0421 -0.0448 -0.0103 461 LEU b N +31978 C CA . LEU T 460 ? 0.6823 0.6036 0.5995 -0.0392 -0.0459 -0.0093 461 LEU b CA +31979 C C . LEU T 460 ? 0.7187 0.6445 0.6392 -0.0391 -0.0486 -0.0109 461 LEU b C +31980 O O . LEU T 460 ? 0.6075 0.5333 0.5257 -0.0369 -0.0504 -0.0109 461 LEU b O +31981 C CB . LEU T 460 ? 0.7410 0.6638 0.6599 -0.0380 -0.0439 -0.0073 461 LEU b CB +31982 C CG . LEU T 460 ? 0.8786 0.7972 0.7936 -0.0368 -0.0417 -0.0054 461 LEU b CG +31983 C CD1 . LEU T 460 ? 0.7821 0.7027 0.6995 -0.0361 -0.0400 -0.0037 461 LEU b CD1 +31984 C CD2 . LEU T 460 ? 0.7820 0.6974 0.6918 -0.0345 -0.0424 -0.0048 461 LEU b CD2 +31985 N N . PHE T 461 ? 0.6419 0.5717 0.5677 -0.0414 -0.0488 -0.0122 462 PHE b N +31986 C CA . PHE T 461 ? 0.6449 0.5795 0.5743 -0.0413 -0.0515 -0.0139 462 PHE b CA +31987 C C . PHE T 461 ? 0.7369 0.6701 0.6639 -0.0418 -0.0541 -0.0159 462 PHE b C +31988 O O . PHE T 461 ? 0.7077 0.6438 0.6357 -0.0405 -0.0568 -0.0169 462 PHE b O +31989 C CB . PHE T 461 ? 0.6708 0.6104 0.6068 -0.0436 -0.0509 -0.0148 462 PHE b CB +31990 C CG . PHE T 461 ? 0.6345 0.5777 0.5738 -0.0420 -0.0500 -0.0134 462 PHE b CG +31991 C CD1 . PHE T 461 ? 0.6096 0.5504 0.5469 -0.0409 -0.0476 -0.0112 462 PHE b CD1 +31992 C CD2 . PHE T 461 ? 0.7231 0.6720 0.6672 -0.0414 -0.0518 -0.0145 462 PHE b CD2 +31993 C CE1 . PHE T 461 ? 0.6642 0.6079 0.6042 -0.0395 -0.0469 -0.0099 462 PHE b CE1 +31994 C CE2 . PHE T 461 ? 0.6447 0.5964 0.5913 -0.0398 -0.0510 -0.0132 462 PHE b CE2 +31995 C CZ . PHE T 461 ? 0.6176 0.5667 0.5621 -0.0389 -0.0485 -0.0109 462 PHE b CZ +31996 N N . PHE T 462 ? 0.6710 0.5996 0.5946 -0.0434 -0.0534 -0.0164 463 PHE b N +31997 C CA . PHE T 462 ? 0.7689 0.6952 0.6892 -0.0436 -0.0558 -0.0182 463 PHE b CA +31998 C C . PHE T 462 ? 0.7684 0.6931 0.6841 -0.0401 -0.0573 -0.0173 463 PHE b C +31999 O O . PHE T 462 ? 0.6938 0.6199 0.6091 -0.0393 -0.0602 -0.0187 463 PHE b O +32000 C CB . PHE T 462 ? 0.7439 0.6646 0.6604 -0.0455 -0.0544 -0.0185 463 PHE b CB +32001 C CG . PHE T 462 ? 0.7762 0.6930 0.6874 -0.0449 -0.0564 -0.0197 463 PHE b CG +32002 C CD1 . PHE T 462 ? 0.6861 0.6049 0.5987 -0.0462 -0.0593 -0.0222 463 PHE b CD1 +32003 C CD2 . PHE T 462 ? 0.6999 0.6109 0.6046 -0.0430 -0.0554 -0.0183 463 PHE b CD2 +32004 C CE1 . PHE T 462 ? 0.7811 0.6959 0.6884 -0.0455 -0.0612 -0.0233 463 PHE b CE1 +32005 C CE2 . PHE T 462 ? 0.7983 0.7055 0.6978 -0.0422 -0.0571 -0.0194 463 PHE b CE2 +32006 C CZ . PHE T 462 ? 0.7303 0.6392 0.6309 -0.0435 -0.0601 -0.0219 463 PHE b CZ +32007 N N . PHE T 463 ? 0.7927 0.7145 0.7051 -0.0380 -0.0554 -0.0149 464 PHE b N +32008 C CA . PHE T 463 ? 0.8097 0.7302 0.7180 -0.0347 -0.0565 -0.0139 464 PHE b CA +32009 C C . PHE T 463 ? 0.7792 0.7047 0.6909 -0.0333 -0.0585 -0.0142 464 PHE b C +32010 O O . PHE T 463 ? 0.6782 0.6035 0.5873 -0.0315 -0.0610 -0.0148 464 PHE b O +32011 C CB . PHE T 463 ? 0.7061 0.6235 0.6112 -0.0329 -0.0538 -0.0113 464 PHE b CB +32012 C CG . PHE T 463 ? 0.6599 0.5751 0.5601 -0.0298 -0.0546 -0.0103 464 PHE b CG +32013 C CD1 . PHE T 463 ? 0.7421 0.6525 0.6363 -0.0290 -0.0549 -0.0106 464 PHE b CD1 +32014 C CD2 . PHE T 463 ? 0.6893 0.6070 0.5906 -0.0277 -0.0549 -0.0091 464 PHE b CD2 +32015 C CE1 . PHE T 463 ? 0.8018 0.7102 0.6914 -0.0263 -0.0555 -0.0097 464 PHE b CE1 +32016 C CE2 . PHE T 463 ? 0.7982 0.7136 0.6947 -0.0250 -0.0555 -0.0081 464 PHE b CE2 +32017 C CZ . PHE T 463 ? 0.7622 0.6730 0.6529 -0.0243 -0.0558 -0.0084 464 PHE b CZ +32018 N N . GLY T 464 ? 0.6784 0.6082 0.5955 -0.0339 -0.0576 -0.0137 465 GLY b N +32019 C CA . GLY T 464 ? 0.6985 0.6332 0.6192 -0.0325 -0.0596 -0.0141 465 GLY b CA +32020 C C . GLY T 464 ? 0.6760 0.6132 0.5981 -0.0331 -0.0629 -0.0167 465 GLY b C +32021 O O . GLY T 464 ? 0.6797 0.6182 0.6009 -0.0309 -0.0654 -0.0170 465 GLY b O +32022 N N . HIS T 465 ? 0.7172 0.6550 0.6417 -0.0362 -0.0631 -0.0185 466 HIS b N +32023 C CA . HIS T 465 ? 0.6920 0.6323 0.6181 -0.0372 -0.0663 -0.0212 466 HIS b CA +32024 C C . HIS T 465 ? 0.6884 0.6249 0.6082 -0.0352 -0.0685 -0.0216 466 HIS b C +32025 O O . HIS T 465 ? 0.7368 0.6755 0.6567 -0.0337 -0.0716 -0.0227 466 HIS b O +32026 C CB . HIS T 465 ? 0.6740 0.6145 0.6028 -0.0411 -0.0655 -0.0230 466 HIS b CB +32027 C CG . HIS T 465 ? 0.7412 0.6829 0.6705 -0.0424 -0.0687 -0.0258 466 HIS b CG +32028 N ND1 . HIS T 465 ? 0.7345 0.6819 0.6679 -0.0418 -0.0718 -0.0275 466 HIS b ND1 +32029 C CD2 . HIS T 465 ? 0.6701 0.6082 0.5963 -0.0443 -0.0694 -0.0273 466 HIS b CD2 +32030 C CE1 . HIS T 465 ? 0.7253 0.6726 0.6583 -0.0432 -0.0743 -0.0299 466 HIS b CE1 +32031 N NE2 . HIS T 465 ? 0.7743 0.7158 0.7028 -0.0448 -0.0729 -0.0299 466 HIS b NE2 +32032 N N . ILE T 466 ? 0.7156 0.6460 0.6296 -0.0350 -0.0670 -0.0206 467 ILE b N +32033 C CA . ILE T 466 ? 0.7029 0.6290 0.6102 -0.0332 -0.0687 -0.0209 467 ILE b CA +32034 C C . ILE T 466 ? 0.7731 0.6995 0.6780 -0.0296 -0.0698 -0.0195 467 ILE b C +32035 O O . ILE T 466 ? 0.7650 0.6912 0.6672 -0.0280 -0.0727 -0.0205 467 ILE b O +32036 C CB . ILE T 466 ? 0.7967 0.7163 0.6985 -0.0335 -0.0662 -0.0198 467 ILE b CB +32037 C CG1 . ILE T 466 ? 0.7392 0.6574 0.6419 -0.0370 -0.0659 -0.0216 467 ILE b CG1 +32038 C CG2 . ILE T 466 ? 0.8488 0.7638 0.7432 -0.0308 -0.0672 -0.0192 467 ILE b CG2 +32039 C CD1 . ILE T 466 ? 0.7811 0.7017 0.6857 -0.0386 -0.0693 -0.0246 467 ILE b CD1 +32040 N N A TRP T 467 ? 0.6906 0.6172 0.5960 -0.0283 -0.0674 -0.0171 468 TRP b N +32041 N N B TRP T 467 ? 0.6898 0.6166 0.5954 -0.0283 -0.0674 -0.0171 468 TRP b N +32042 C CA A TRP T 467 ? 0.6435 0.5697 0.5462 -0.0249 -0.0679 -0.0155 468 TRP b CA +32043 C CA B TRP T 467 ? 0.6420 0.5683 0.5448 -0.0249 -0.0680 -0.0155 468 TRP b CA +32044 C C A TRP T 467 ? 0.6951 0.6262 0.6013 -0.0239 -0.0710 -0.0167 468 TRP b C +32045 C C B TRP T 467 ? 0.6948 0.6260 0.6010 -0.0238 -0.0710 -0.0167 468 TRP b C +32046 O O A TRP T 467 ? 0.7267 0.6568 0.6292 -0.0214 -0.0733 -0.0168 468 TRP b O +32047 O O B TRP T 467 ? 0.7282 0.6583 0.6308 -0.0214 -0.0733 -0.0168 468 TRP b O +32048 C CB A TRP T 467 ? 0.6721 0.5981 0.5757 -0.0242 -0.0647 -0.0129 468 TRP b CB +32049 C CB B TRP T 467 ? 0.6722 0.5981 0.5756 -0.0242 -0.0648 -0.0129 468 TRP b CB +32050 C CG A TRP T 467 ? 0.6402 0.5662 0.5416 -0.0211 -0.0653 -0.0114 468 TRP b CG +32051 C CG B TRP T 467 ? 0.6385 0.5645 0.5399 -0.0211 -0.0654 -0.0114 468 TRP b CG +32052 C CD1 A TRP T 467 ? 0.6723 0.6023 0.5776 -0.0201 -0.0658 -0.0109 468 TRP b CD1 +32053 C CD1 B TRP T 467 ? 0.6729 0.6028 0.5782 -0.0201 -0.0658 -0.0109 468 TRP b CD1 +32054 C CD2 A TRP T 467 ? 0.7011 0.6227 0.5957 -0.0186 -0.0655 -0.0103 468 TRP b CD2 +32055 C CD2 B TRP T 467 ? 0.7015 0.6231 0.5962 -0.0186 -0.0656 -0.0103 468 TRP b CD2 +32056 N NE1 A TRP T 467 ? 0.6539 0.5819 0.5552 -0.0171 -0.0662 -0.0094 468 TRP b NE1 +32057 N NE1 B TRP T 467 ? 0.6535 0.5816 0.5548 -0.0171 -0.0663 -0.0095 468 TRP b NE1 +32058 C CE2 A TRP T 467 ? 0.6945 0.6174 0.5892 -0.0162 -0.0661 -0.0090 468 TRP b CE2 +32059 C CE2 B TRP T 467 ? 0.6950 0.6180 0.5897 -0.0162 -0.0662 -0.0091 468 TRP b CE2 +32060 C CE3 A TRP T 467 ? 0.7261 0.6425 0.6145 -0.0181 -0.0652 -0.0102 468 TRP b CE3 +32061 C CE3 B TRP T 467 ? 0.7279 0.6443 0.6162 -0.0181 -0.0653 -0.0103 468 TRP b CE3 +32062 C CZ2 A TRP T 467 ? 0.6833 0.6025 0.5719 -0.0135 -0.0662 -0.0077 468 TRP b CZ2 +32063 C CZ2 B TRP T 467 ? 0.6821 0.6014 0.5708 -0.0135 -0.0663 -0.0077 468 TRP b CZ2 +32064 C CZ3 A TRP T 467 ? 0.7104 0.6234 0.5929 -0.0154 -0.0654 -0.0089 468 TRP b CZ3 +32065 C CZ3 B TRP T 467 ? 0.7088 0.6219 0.5913 -0.0153 -0.0655 -0.0090 468 TRP b CZ3 +32066 C CH2 A TRP T 467 ? 0.7328 0.6472 0.6154 -0.0132 -0.0658 -0.0076 468 TRP b CH2 +32067 C CH2 B TRP T 467 ? 0.7325 0.6470 0.6152 -0.0132 -0.0659 -0.0077 468 TRP b CH2 +32068 N N . HIS T 468 ? 0.6571 0.5937 0.5704 -0.0255 -0.0711 -0.0176 469 HIS b N +32069 C CA . HIS T 468 ? 0.7197 0.6613 0.6366 -0.0242 -0.0740 -0.0187 469 HIS b CA +32070 C C . HIS T 468 ? 0.6938 0.6370 0.6111 -0.0250 -0.0775 -0.0216 469 HIS b C +32071 O O . HIS T 468 ? 0.7867 0.7320 0.7039 -0.0229 -0.0806 -0.0224 469 HIS b O +32072 C CB . HIS T 468 ? 0.5963 0.5433 0.5205 -0.0253 -0.0727 -0.0186 469 HIS b CB +32073 C CG . HIS T 468 ? 0.7275 0.6734 0.6512 -0.0239 -0.0700 -0.0159 469 HIS b CG +32074 N ND1 . HIS T 468 ? 0.6875 0.6328 0.6087 -0.0207 -0.0707 -0.0145 469 HIS b ND1 +32075 C CD2 . HIS T 468 ? 0.6712 0.6162 0.5962 -0.0252 -0.0666 -0.0144 469 HIS b CD2 +32076 C CE1 . HIS T 468 ? 0.7733 0.7176 0.6946 -0.0202 -0.0678 -0.0123 469 HIS b CE1 +32077 N NE2 . HIS T 468 ? 0.7446 0.6887 0.6682 -0.0229 -0.0654 -0.0122 469 HIS b NE2 +32078 N N . GLY T 469 ? 0.7621 0.7042 0.6798 -0.0280 -0.0773 -0.0231 470 GLY b N +32079 C CA . GLY T 469 ? 0.6800 0.6225 0.5969 -0.0286 -0.0807 -0.0258 470 GLY b CA +32080 C C . GLY T 469 ? 0.7589 0.6968 0.6682 -0.0257 -0.0826 -0.0254 470 GLY b C +32081 O O . GLY T 469 ? 0.7532 0.6929 0.6619 -0.0242 -0.0862 -0.0269 470 GLY b O +32082 N N . ALA T 470 ? 0.7211 0.6530 0.6242 -0.0248 -0.0802 -0.0234 471 ALA b N +32083 C CA . ALA T 470 ? 0.7130 0.6401 0.6083 -0.0219 -0.0816 -0.0228 471 ALA b CA +32084 C C . ALA T 470 ? 0.7840 0.7133 0.6790 -0.0186 -0.0834 -0.0220 471 ALA b C +32085 O O . ALA T 470 ? 0.8738 0.8021 0.7652 -0.0167 -0.0866 -0.0230 471 ALA b O +32086 C CB . ALA T 470 ? 0.7245 0.6457 0.6142 -0.0213 -0.0783 -0.0205 471 ALA b CB +32087 N N . ARG T 471 ? 0.7459 0.6776 0.6443 -0.0179 -0.0816 -0.0202 472 ARG b N +32088 C CA . ARG T 471 ? 0.7028 0.6358 0.6004 -0.0147 -0.0831 -0.0192 472 ARG b CA +32089 C C . ARG T 471 ? 0.7890 0.7272 0.6905 -0.0142 -0.0872 -0.0217 472 ARG b C +32090 O O . ARG T 471 ? 0.7890 0.7268 0.6875 -0.0113 -0.0897 -0.0216 472 ARG b O +32091 C CB . ARG T 471 ? 0.7842 0.7191 0.6853 -0.0142 -0.0804 -0.0171 472 ARG b CB +32092 C CG . ARG T 471 ? 0.9663 0.8962 0.8629 -0.0137 -0.0768 -0.0144 472 ARG b CG +32093 C CD . ARG T 471 ? 0.8846 0.8143 0.7805 -0.0112 -0.0757 -0.0121 472 ARG b CD +32094 N NE . ARG T 471 ? 0.7177 0.6527 0.6188 -0.0103 -0.0774 -0.0127 472 ARG b NE +32095 C CZ . ARG T 471 ? 0.7571 0.6917 0.6559 -0.0073 -0.0788 -0.0118 472 ARG b CZ +32096 N NH1 . ARG T 471 ? 0.7435 0.6729 0.6351 -0.0051 -0.0786 -0.0102 472 ARG b NH1 +32097 N NH2 . ARG T 471 ? 0.7609 0.7004 0.6647 -0.0065 -0.0805 -0.0125 472 ARG b NH2 +32098 N N . THR T 472 ? 0.7273 0.6703 0.6356 -0.0171 -0.0878 -0.0238 473 THR b N +32099 C CA . THR T 472 ? 0.7804 0.7290 0.6930 -0.0168 -0.0917 -0.0263 473 THR b CA +32100 C C . THR T 472 ? 0.7992 0.7454 0.7068 -0.0160 -0.0952 -0.0281 473 THR b C +32101 O O . THR T 472 ? 0.8219 0.7694 0.7281 -0.0132 -0.0986 -0.0288 473 THR b O +32102 C CB . THR T 472 ? 0.7235 0.6778 0.6445 -0.0204 -0.0911 -0.0282 473 THR b CB +32103 O OG1 . THR T 472 ? 0.7767 0.7330 0.7019 -0.0210 -0.0879 -0.0264 473 THR b OG1 +32104 C CG2 . THR T 472 ? 0.7215 0.6822 0.6477 -0.0202 -0.0951 -0.0309 473 THR b CG2 +32105 N N . LEU T 473 ? 0.7867 0.7290 0.6911 -0.0181 -0.0946 -0.0289 474 LEU b N +32106 C CA . LEU T 473 ? 0.8438 0.7838 0.7437 -0.0177 -0.0979 -0.0309 474 LEU b CA +32107 C C . LEU T 473 ? 0.8579 0.7915 0.7484 -0.0144 -0.0984 -0.0294 474 LEU b C +32108 O O . LEU T 473 ? 0.8434 0.7753 0.7297 -0.0133 -0.1016 -0.0309 474 LEU b O +32109 C CB . LEU T 473 ? 0.7362 0.6743 0.6363 -0.0214 -0.0969 -0.0325 474 LEU b CB +32110 C CG . LEU T 473 ? 0.7358 0.6801 0.6449 -0.0250 -0.0966 -0.0343 474 LEU b CG +32111 C CD1 . LEU T 473 ? 0.6548 0.5962 0.5634 -0.0287 -0.0949 -0.0353 474 LEU b CD1 +32112 C CD2 . LEU T 473 ? 0.8008 0.7515 0.7149 -0.0249 -0.1009 -0.0370 474 LEU b CD2 +32113 N N . PHE T 474 ? 0.8232 0.7534 0.7103 -0.0127 -0.0952 -0.0263 475 PHE b N +32114 C CA . PHE T 474 ? 0.7397 0.6637 0.6179 -0.0096 -0.0952 -0.0247 475 PHE b CA +32115 C C . PHE T 474 ? 0.7673 0.6918 0.6449 -0.0065 -0.0949 -0.0225 475 PHE b C +32116 O O . PHE T 474 ? 0.8508 0.7704 0.7222 -0.0044 -0.0931 -0.0202 475 PHE b O +32117 C CB . PHE T 474 ? 0.7593 0.6774 0.6326 -0.0105 -0.0916 -0.0231 475 PHE b CB +32118 C CG . PHE T 474 ? 0.7430 0.6592 0.6153 -0.0131 -0.0920 -0.0251 475 PHE b CG +32119 C CD1 . PHE T 474 ? 0.7370 0.6566 0.6159 -0.0167 -0.0912 -0.0265 475 PHE b CD1 +32120 C CD2 . PHE T 474 ? 0.8586 0.7693 0.7232 -0.0120 -0.0932 -0.0257 475 PHE b CD2 +32121 C CE1 . PHE T 474 ? 0.8281 0.7455 0.7058 -0.0192 -0.0915 -0.0284 475 PHE b CE1 +32122 C CE2 . PHE T 474 ? 0.7880 0.6966 0.6514 -0.0144 -0.0936 -0.0276 475 PHE b CE2 +32123 C CZ . PHE T 474 ? 0.7627 0.6746 0.6326 -0.0180 -0.0928 -0.0290 475 PHE b CZ +32124 N N . ARG T 475 ? 0.8415 0.7722 0.7256 -0.0062 -0.0965 -0.0232 476 ARG b N +32125 C CA . ARG T 475 ? 0.9211 0.8523 0.8049 -0.0033 -0.0962 -0.0213 476 ARG b CA +32126 C C . ARG T 475 ? 0.8003 0.7266 0.6756 0.0003 -0.0981 -0.0204 476 ARG b C +32127 O O . ARG T 475 ? 0.9380 0.8611 0.8096 0.0025 -0.0963 -0.0179 476 ARG b O +32128 C CB . ARG T 475 ? 0.7670 0.7056 0.6588 -0.0033 -0.0984 -0.0227 476 ARG b CB +32129 C CG . ARG T 475 ? 0.9030 0.8422 0.7943 0.0000 -0.0988 -0.0211 476 ARG b CG +32130 C CD . ARG T 475 ? 0.9882 0.9350 0.8878 0.0000 -0.1009 -0.0227 476 ARG b CD +32131 N NE . ARG T 475 ? 1.2737 1.2209 1.1712 0.0039 -0.1036 -0.0223 476 ARG b NE +32132 C CZ . ARG T 475 ? 1.6974 1.6495 1.6004 0.0051 -0.1042 -0.0224 476 ARG b CZ +32133 N NH1 . ARG T 475 ? 1.5852 1.5423 1.4961 0.0027 -0.1022 -0.0227 476 ARG b NH1 +32134 N NH2 . ARG T 475 ? 1.7165 1.6681 1.6166 0.0089 -0.1068 -0.0220 476 ARG b NH2 +32135 N N . ASP T 476 ? 0.8387 0.7638 0.7105 0.0009 -0.1016 -0.0225 477 ASP b N +32136 C CA . ASP T 476 ? 0.8271 0.7475 0.6905 0.0044 -0.1037 -0.0219 477 ASP b CA +32137 C C . ASP T 476 ? 0.9762 0.8891 0.8314 0.0052 -0.1005 -0.0195 477 ASP b C +32138 O O . ASP T 476 ? 0.9067 0.8153 0.7551 0.0083 -0.1009 -0.0180 477 ASP b O +32139 C CB . ASP T 476 ? 0.7944 0.7152 0.6559 0.0047 -0.1082 -0.0248 477 ASP b CB +32140 C CG . ASP T 476 ? 0.8501 0.7697 0.7116 0.0014 -0.1076 -0.0265 477 ASP b CG +32141 O OD1 . ASP T 476 ? 0.9576 0.8800 0.8253 -0.0018 -0.1052 -0.0268 477 ASP b OD1 +32142 O OD2 . ASP T 476 ? 1.0524 0.9679 0.9075 0.0020 -0.1095 -0.0276 477 ASP b OD2 +32143 N N A VAL T 477 ? 0.8011 0.7121 0.6565 0.0026 -0.0974 -0.0192 478 VAL b N +32144 N N B VAL T 477 ? 0.8004 0.7115 0.6559 0.0026 -0.0972 -0.0190 478 VAL b N +32145 C CA A VAL T 477 ? 0.8092 0.7134 0.6570 0.0034 -0.0944 -0.0171 478 VAL b CA +32146 C CA B VAL T 477 ? 0.8070 0.7114 0.6551 0.0033 -0.0942 -0.0169 478 VAL b CA +32147 C C A VAL T 477 ? 0.8765 0.7805 0.7267 0.0023 -0.0897 -0.0146 478 VAL b C +32148 C C B VAL T 477 ? 0.8742 0.7785 0.7250 0.0022 -0.0895 -0.0145 478 VAL b C +32149 O O A VAL T 477 ? 1.0098 0.9090 0.8551 0.0023 -0.0868 -0.0131 478 VAL b O +32150 O O B VAL T 477 ? 1.0194 0.9192 0.8659 0.0020 -0.0865 -0.0130 478 VAL b O +32151 C CB A VAL T 477 ? 0.8925 0.7932 0.7363 0.0019 -0.0947 -0.0187 478 VAL b CB +32152 C CB B VAL T 477 ? 0.8917 0.7926 0.7358 0.0019 -0.0944 -0.0184 478 VAL b CB +32153 C CG1 A VAL T 477 ? 0.8565 0.7560 0.6957 0.0035 -0.0993 -0.0208 478 VAL b CG1 +32154 C CG1 B VAL T 477 ? 0.8548 0.7540 0.6938 0.0037 -0.0989 -0.0204 478 VAL b CG1 +32155 C CG2 A VAL T 477 ? 0.8592 0.7634 0.7098 -0.0019 -0.0938 -0.0202 478 VAL b CG2 +32156 C CG2 B VAL T 477 ? 0.8595 0.7641 0.7105 -0.0019 -0.0938 -0.0202 478 VAL b CG2 +32157 N N A PHE T 478 ? 0.8445 0.7536 0.7021 0.0015 -0.0891 -0.0142 479 PHE b N +32158 N N B PHE T 478 ? 0.8457 0.7550 0.7035 0.0016 -0.0889 -0.0140 479 PHE b N +32159 C CA A PHE T 478 ? 0.9936 0.9029 0.8540 0.0003 -0.0848 -0.0120 479 PHE b CA +32160 C CA B PHE T 478 ? 0.9971 0.9065 0.8578 0.0004 -0.0846 -0.0118 479 PHE b CA +32161 C C A PHE T 478 ? 1.0157 0.9196 0.8694 0.0024 -0.0822 -0.0093 479 PHE b C +32162 C C B PHE T 478 ? 1.0125 0.9168 0.8669 0.0026 -0.0820 -0.0090 479 PHE b C +32163 O O A PHE T 478 ? 0.9006 0.8021 0.7534 0.0013 -0.0786 -0.0077 479 PHE b O +32164 O O B PHE T 478 ? 0.9177 0.8206 0.7724 0.0015 -0.0783 -0.0073 479 PHE b O +32165 C CB A PHE T 478 ? 0.9678 0.8829 0.8359 -0.0001 -0.0849 -0.0120 479 PHE b CB +32166 C CB B PHE T 478 ? 0.9686 0.8841 0.8374 -0.0002 -0.0847 -0.0119 479 PHE b CB +32167 C CG A PHE T 478 ? 1.1638 1.0792 1.0348 -0.0011 -0.0808 -0.0097 479 PHE b CG +32168 C CG B PHE T 478 ? 1.1728 1.0887 1.0446 -0.0013 -0.0806 -0.0097 479 PHE b CG +32169 C CD1 A PHE T 478 ? 1.1213 1.0373 0.9956 -0.0040 -0.0781 -0.0098 479 PHE b CD1 +32170 C CD1 B PHE T 478 ? 1.1239 1.0404 0.9990 -0.0042 -0.0780 -0.0098 479 PHE b CD1 +32171 C CD2 A PHE T 478 ? 1.0489 0.9638 0.9192 0.0009 -0.0797 -0.0076 479 PHE b CD2 +32172 C CD2 B PHE T 478 ? 1.0471 0.9627 0.9185 0.0006 -0.0795 -0.0076 479 PHE b CD2 +32173 C CE1 A PHE T 478 ? 0.9800 0.8964 0.8568 -0.0048 -0.0746 -0.0078 479 PHE b CE1 +32174 C CE1 B PHE T 478 ? 0.9731 0.8901 0.8509 -0.0051 -0.0744 -0.0079 479 PHE b CE1 +32175 C CE2 A PHE T 478 ? 1.0809 0.9962 0.9539 -0.0001 -0.0761 -0.0057 479 PHE b CE2 +32176 C CE2 B PHE T 478 ? 1.0852 1.0012 0.9594 -0.0004 -0.0759 -0.0058 479 PHE b CE2 +32177 C CZ A PHE T 478 ? 0.9852 0.9014 0.8616 -0.0029 -0.0736 -0.0058 479 PHE b CZ +32178 C CZ B PHE T 478 ? 0.9723 0.8892 0.8499 -0.0033 -0.0734 -0.0059 479 PHE b CZ +32179 N N A SER T 479 ? 0.9668 0.8686 0.8158 0.0054 -0.0840 -0.0086 480 SER b N +32180 N N B SER T 479 ? 0.9647 0.8664 0.8136 0.0056 -0.0839 -0.0084 480 SER b N +32181 C CA A SER T 479 ? 1.0226 0.9196 0.8658 0.0074 -0.0815 -0.0058 480 SER b CA +32182 C CA B SER T 479 ? 1.0232 0.9200 0.8660 0.0076 -0.0815 -0.0057 480 SER b CA +32183 C C A SER T 479 ? 1.0314 0.9222 0.8659 0.0084 -0.0809 -0.0055 480 SER b C +32184 C C B SER T 479 ? 1.0326 0.9233 0.8669 0.0085 -0.0809 -0.0054 480 SER b C +32185 O O A SER T 479 ? 1.0676 0.9541 0.8967 0.0100 -0.0787 -0.0033 480 SER b O +32186 O O B SER T 479 ? 1.0708 0.9571 0.8996 0.0100 -0.0787 -0.0032 480 SER b O +32187 C CB A SER T 479 ? 1.0175 0.9147 0.8593 0.0102 -0.0834 -0.0050 480 SER b CB +32188 C CB B SER T 479 ? 1.0165 0.9134 0.8578 0.0105 -0.0834 -0.0049 480 SER b CB +32189 O OG A SER T 479 ? 1.0229 0.9246 0.8717 0.0096 -0.0824 -0.0044 480 SER b OG +32190 O OG B SER T 479 ? 1.0290 0.9307 0.8775 0.0098 -0.0829 -0.0045 480 SER b OG +32191 N N A GLY T 480 ? 0.8910 0.7811 0.7240 0.0075 -0.0827 -0.0076 481 GLY b N +32192 N N B GLY T 480 ? 0.8890 0.7792 0.7221 0.0075 -0.0828 -0.0076 481 GLY b N +32193 C CA A GLY T 480 ? 0.9760 0.8603 0.8006 0.0086 -0.0826 -0.0075 481 GLY b CA +32194 C CA B GLY T 480 ? 0.9769 0.8613 0.8016 0.0086 -0.0827 -0.0076 481 GLY b CA +32195 C C A GLY T 480 ? 0.9903 0.8745 0.8124 0.0093 -0.0871 -0.0102 481 GLY b C +32196 C C B GLY T 480 ? 0.9904 0.8746 0.8125 0.0093 -0.0871 -0.0102 481 GLY b C +32197 O O A GLY T 480 ? 1.0023 0.8905 0.8281 0.0097 -0.0905 -0.0116 481 GLY b O +32198 O O B GLY T 480 ? 1.0020 0.8903 0.8279 0.0097 -0.0906 -0.0117 481 GLY b O +32199 N N A ILE T 481 ? 0.9600 0.8396 0.7758 0.0095 -0.0871 -0.0108 482 ILE b N +32200 N N B ILE T 481 ? 0.9589 0.8385 0.7746 0.0095 -0.0872 -0.0109 482 ILE b N +32201 C CA A ILE T 481 ? 1.0833 0.9623 0.8962 0.0100 -0.0914 -0.0135 482 ILE b CA +32202 C CA B ILE T 481 ? 1.0850 0.9640 0.8978 0.0101 -0.0915 -0.0135 482 ILE b CA +32203 C C A ILE T 481 ? 1.1200 0.9955 0.9256 0.0136 -0.0938 -0.0129 482 ILE b C +32204 C C B ILE T 481 ? 1.1206 0.9961 0.9261 0.0137 -0.0938 -0.0129 482 ILE b C +32205 O O A ILE T 481 ? 1.0488 0.9208 0.8497 0.0155 -0.0915 -0.0104 482 ILE b O +32206 O O B ILE T 481 ? 1.0473 0.9191 0.8479 0.0156 -0.0915 -0.0104 482 ILE b O +32207 C CB A ILE T 481 ? 1.0213 0.8968 0.8306 0.0086 -0.0908 -0.0147 482 ILE b CB +32208 C CB B ILE T 481 ? 1.0211 0.8966 0.8302 0.0087 -0.0908 -0.0147 482 ILE b CB +32209 C CG1 A ILE T 481 ? 0.9450 0.8137 0.7453 0.0105 -0.0880 -0.0127 482 ILE b CG1 +32210 C CG1 B ILE T 481 ? 0.9426 0.8112 0.7426 0.0106 -0.0882 -0.0128 482 ILE b CG1 +32211 C CG2 A ILE T 481 ? 0.9836 0.8621 0.7998 0.0052 -0.0884 -0.0152 482 ILE b CG2 +32212 C CG2 B ILE T 481 ? 0.9840 0.8622 0.7998 0.0053 -0.0882 -0.0150 482 ILE b CG2 +32213 C CD1 A ILE T 481 ? 1.0420 0.9065 0.8374 0.0097 -0.0877 -0.0140 482 ILE b CD1 +32214 C CD1 B ILE T 481 ? 1.0426 0.9072 0.8382 0.0096 -0.0875 -0.0140 482 ILE b CD1 +32215 N N A ASP T 482 ? 1.1374 1.0139 0.9419 0.0145 -0.0984 -0.0153 483 ASP b N +32216 N N B ASP T 482 ? 1.1377 1.0143 0.9422 0.0145 -0.0985 -0.0153 483 ASP b N +32217 C CA A ASP T 482 ? 1.2965 1.1703 1.0945 0.0180 -0.1014 -0.0151 483 ASP b CA +32218 C CA B ASP T 482 ? 1.2990 1.1729 1.0971 0.0181 -0.1014 -0.0150 483 ASP b CA +32219 C C A ASP T 482 ? 1.1796 1.0456 0.9672 0.0200 -0.0992 -0.0132 483 ASP b C +32220 C C B ASP T 482 ? 1.1783 1.0444 0.9660 0.0200 -0.0992 -0.0131 483 ASP b C +32221 O O A ASP T 482 ? 1.0788 0.9414 0.8624 0.0191 -0.0982 -0.0139 483 ASP b O +32222 O O B ASP T 482 ? 1.0731 0.9358 0.8568 0.0191 -0.0983 -0.0139 483 ASP b O +32223 C CB A ASP T 482 ? 1.4005 1.2763 1.1985 0.0183 -0.1067 -0.0183 483 ASP b CB +32224 C CB B ASP T 482 ? 1.4042 1.2800 1.2022 0.0185 -0.1068 -0.0182 483 ASP b CB +32225 C CG A ASP T 482 ? 1.4237 1.2971 1.2154 0.0221 -0.1102 -0.0182 483 ASP b CG +32226 C CG B ASP T 482 ? 1.4246 1.2977 1.2159 0.0224 -0.1102 -0.0180 483 ASP b CG +32227 O OD1 A ASP T 482 ? 1.4678 1.3420 1.2604 0.0240 -0.1099 -0.0164 483 ASP b OD1 +32228 O OD1 B ASP T 482 ? 1.4696 1.3439 1.2621 0.0242 -0.1101 -0.0164 483 ASP b OD1 +32229 O OD2 A ASP T 482 ? 1.5477 1.4179 1.3333 0.0233 -0.1133 -0.0199 483 ASP b OD2 +32230 O OD2 B ASP T 482 ? 1.5548 1.4242 1.3394 0.0236 -0.1129 -0.0194 483 ASP b OD2 +32231 N N A PRO T 483 ? 1.2891 1.1522 1.0723 0.0226 -0.0981 -0.0108 484 PRO b N +32232 N N B PRO T 483 ? 1.2907 1.1537 1.0738 0.0226 -0.0981 -0.0107 484 PRO b N +32233 C CA A PRO T 483 ? 1.2426 1.0983 1.0158 0.0244 -0.0956 -0.0089 484 PRO b CA +32234 C CA B PRO T 483 ? 1.2418 1.0974 1.0149 0.0244 -0.0956 -0.0089 484 PRO b CA +32235 C C A PRO T 483 ? 1.2977 1.1488 1.0626 0.0260 -0.0987 -0.0106 484 PRO b C +32236 C C B PRO T 483 ? 1.2966 1.1478 1.0616 0.0260 -0.0987 -0.0106 484 PRO b C +32237 O O A PRO T 483 ? 1.3328 1.1782 1.0903 0.0266 -0.0964 -0.0098 484 PRO b O +32238 O O B PRO T 483 ? 1.3329 1.1784 1.0905 0.0265 -0.0964 -0.0098 484 PRO b O +32239 C CB A PRO T 483 ? 1.1998 1.0539 0.9706 0.0268 -0.0948 -0.0064 484 PRO b CB +32240 C CB B PRO T 483 ? 1.1986 1.0524 0.9691 0.0269 -0.0946 -0.0063 484 PRO b CB +32241 C CG A PRO T 483 ? 1.1621 1.0228 0.9429 0.0254 -0.0946 -0.0063 484 PRO b CG +32242 C CG B PRO T 483 ? 1.1615 1.0219 0.9419 0.0255 -0.0947 -0.0062 484 PRO b CG +32243 C CD A PRO T 483 ? 1.2177 1.0840 1.0050 0.0237 -0.0983 -0.0094 484 PRO b CD +32244 C CD B PRO T 483 ? 1.2181 1.0841 1.0049 0.0239 -0.0985 -0.0094 484 PRO b CD +32245 N N . GLU T 484 ? 1.2760 1.1298 1.0420 0.0269 -0.1038 -0.0130 485 GLU b N +32246 C CA . GLU T 484 ? 1.7000 1.5499 1.4586 0.0282 -0.1073 -0.0150 485 GLU b CA +32247 C C . GLU T 484 ? 1.7105 1.5641 1.4743 0.0254 -0.1095 -0.0182 485 GLU b C +32248 O O . GLU T 484 ? 1.6964 1.5516 1.4599 0.0260 -0.1143 -0.0208 485 GLU b O +32249 C CB . GLU T 484 ? 1.6709 1.5204 1.4258 0.0315 -0.1119 -0.0156 485 GLU b CB +32250 C CG . GLU T 484 ? 1.7191 1.5645 1.4684 0.0345 -0.1102 -0.0125 485 GLU b CG +32251 C CD . GLU T 484 ? 1.8761 1.7264 1.6312 0.0356 -0.1123 -0.0123 485 GLU b CD +32252 O OE1 . GLU T 484 ? 1.8652 1.7226 1.6300 0.0335 -0.1139 -0.0141 485 GLU b OE1 +32253 O OE2 . GLU T 484 ? 2.0365 1.8835 1.7865 0.0385 -0.1124 -0.0103 485 GLU b OE2 +32254 N N A LEU T 485 ? 1.8064 1.6612 1.5746 0.0223 -0.1060 -0.0181 486 LEU b N +32255 N N B LEU T 485 ? 1.8082 1.6632 1.5766 0.0223 -0.1060 -0.0181 486 LEU b N +32256 C CA A LEU T 485 ? 1.8384 1.6962 1.6113 0.0194 -0.1077 -0.0210 486 LEU b CA +32257 C CA B LEU T 485 ? 1.8395 1.6974 1.6125 0.0194 -0.1077 -0.0210 486 LEU b CA +32258 C C A LEU T 485 ? 1.9357 1.7883 1.7002 0.0204 -0.1101 -0.0229 486 LEU b C +32259 C C B LEU T 485 ? 1.9361 1.7888 1.7007 0.0204 -0.1101 -0.0229 486 LEU b C +32260 O O A LEU T 485 ? 1.8940 1.7403 1.6506 0.0214 -0.1075 -0.0216 486 LEU b O +32261 O O B LEU T 485 ? 1.8935 1.7398 1.6501 0.0215 -0.1075 -0.0216 486 LEU b O +32262 C CB A LEU T 485 ? 1.7250 1.5839 1.5029 0.0163 -0.1031 -0.0202 486 LEU b CB +32263 C CB B LEU T 485 ? 1.7248 1.5840 1.5030 0.0163 -0.1032 -0.0203 486 LEU b CB +32264 C CG A LEU T 485 ? 1.7478 1.6129 1.5355 0.0128 -0.1042 -0.0225 486 LEU b CG +32265 C CG B LEU T 485 ? 1.7497 1.6150 1.5376 0.0127 -0.1043 -0.0225 486 LEU b CG +32266 C CD1 A LEU T 485 ? 1.6165 1.4817 1.4079 0.0100 -0.0995 -0.0214 486 LEU b CD1 +32267 C CD1 B LEU T 485 ? 1.6182 1.4836 1.4099 0.0101 -0.0996 -0.0214 486 LEU b CD1 +32268 C CD2 A LEU T 485 ? 1.6820 1.5472 1.4686 0.0118 -0.1084 -0.0259 486 LEU b CD2 +32269 C CD2 B LEU T 485 ? 1.6810 1.5462 1.4676 0.0118 -0.1084 -0.0259 486 LEU b CD2 +32270 N N . SER T 486 ? 1.8465 1.7019 1.6128 0.0200 -0.1150 -0.0260 487 SER b N +32271 C CA . SER T 486 ? 1.9342 1.7854 1.6932 0.0208 -0.1182 -0.0283 487 SER b CA +32272 C C . SER T 486 ? 1.9866 1.8332 1.7420 0.0190 -0.1151 -0.0284 487 SER b C +32273 O O . SER T 486 ? 2.0053 1.8548 1.7669 0.0157 -0.1144 -0.0299 487 SER b O +32274 C CB . SER T 486 ? 1.7597 1.6163 1.5243 0.0195 -0.1235 -0.0318 487 SER b CB +32275 O OG . SER T 486 ? 2.1690 2.0217 1.9269 0.0200 -0.1267 -0.0343 487 SER b OG +32276 N N . PRO T 487 ? 1.8094 1.6488 1.5549 0.0212 -0.1130 -0.0270 488 PRO b N +32277 C CA . PRO T 487 ? 1.8521 1.6870 1.5940 0.0198 -0.1098 -0.0270 488 PRO b CA +32278 C C . PRO T 487 ? 1.9321 1.7668 1.6740 0.0178 -0.1129 -0.0305 488 PRO b C +32279 O O . PRO T 487 ? 1.6138 1.4468 1.3562 0.0156 -0.1104 -0.0310 488 PRO b O +32280 C CB . PRO T 487 ? 1.6852 1.5125 1.4156 0.0230 -0.1080 -0.0251 488 PRO b CB +32281 C CG . PRO T 487 ? 1.8263 1.6546 1.5560 0.0257 -0.1087 -0.0231 488 PRO b CG +32282 C CD . PRO T 487 ? 1.7522 1.5869 1.4889 0.0251 -0.1136 -0.0252 488 PRO b CD +32283 N N . GLU T 488 ? 2.3348 2.1712 2.0763 0.0185 -0.1183 -0.0331 489 GLU b N +32284 C CA . GLU T 488 ? 2.2101 2.0472 1.9527 0.0162 -0.1217 -0.0367 489 GLU b CA +32285 C C . GLU T 488 ? 2.1976 2.0420 1.9520 0.0124 -0.1221 -0.0381 489 GLU b C +32286 O O . GLU T 488 ? 2.1590 2.0037 1.9153 0.0097 -0.1234 -0.0408 489 GLU b O +32287 C CB . GLU T 488 ? 2.3511 2.1876 2.0891 0.0184 -0.1276 -0.0389 489 GLU b CB +32288 C CG . GLU T 488 ? 2.2494 2.0786 1.9753 0.0225 -0.1277 -0.0375 489 GLU b CG +32289 C CD . GLU T 488 ? 2.3361 2.1643 2.0569 0.0245 -0.1337 -0.0401 489 GLU b CD +32290 O OE1 . GLU T 488 ? 2.2778 2.1118 2.0053 0.0229 -0.1380 -0.0428 489 GLU b OE1 +32291 O OE2 . GLU T 488 ? 2.2412 2.0629 1.9513 0.0278 -0.1342 -0.0393 489 GLU b OE2 +32292 N N . GLN T 489 ? 1.8716 1.7218 1.6339 0.0121 -0.1209 -0.0366 490 GLN b N +32293 C CA . GLN T 489 ? 1.8089 1.6660 1.5824 0.0084 -0.1208 -0.0378 490 GLN b CA +32294 C C . GLN T 489 ? 1.9138 1.7697 1.6899 0.0057 -0.1159 -0.0367 490 GLN b C +32295 O O . GLN T 489 ? 1.6430 1.5025 1.4260 0.0022 -0.1160 -0.0383 490 GLN b O +32296 C CB . GLN T 489 ? 1.8050 1.6684 1.5856 0.0092 -0.1212 -0.0364 490 GLN b CB +32297 C CG . GLN T 489 ? 1.6608 1.5311 1.4528 0.0057 -0.1197 -0.0368 490 GLN b CG +32298 C CD . GLN T 489 ? 1.7166 1.5935 1.5155 0.0066 -0.1212 -0.0362 490 GLN b CD +32299 O OE1 . GLN T 489 ? 1.8777 1.7562 1.6754 0.0088 -0.1255 -0.0374 490 GLN b OE1 +32300 N NE2 . GLN T 489 ? 1.3781 1.2587 1.1841 0.0050 -0.1178 -0.0345 490 GLN b NE2 +32301 N N A VAL T 490 ? 1.8651 1.7158 1.6355 0.0073 -0.1117 -0.0339 491 VAL b N +32302 N N B VAL T 490 ? 1.8672 1.7179 1.6375 0.0073 -0.1117 -0.0339 491 VAL b N +32303 C CA A VAL T 490 ? 1.6332 1.4826 1.4056 0.0051 -0.1070 -0.0328 491 VAL b CA +32304 C CA B VAL T 490 ? 1.6329 1.4822 1.4052 0.0051 -0.1070 -0.0327 491 VAL b CA +32305 C C A VAL T 490 ? 1.6755 1.5179 1.4401 0.0050 -0.1060 -0.0337 491 VAL b C +32306 C C B VAL T 490 ? 1.6765 1.5189 1.4411 0.0050 -0.1060 -0.0337 491 VAL b C +32307 O O A VAL T 490 ? 1.6115 1.4528 1.3779 0.0029 -0.1029 -0.0335 491 VAL b O +32308 O O B VAL T 490 ? 1.6139 1.4551 1.3802 0.0030 -0.1028 -0.0334 491 VAL b O +32309 C CB A VAL T 490 ? 1.4438 1.2929 1.2165 0.0066 -0.1025 -0.0291 491 VAL b CB +32310 C CB B VAL T 490 ? 1.4431 1.2922 1.2157 0.0066 -0.1025 -0.0291 491 VAL b CB +32311 C CG1 A VAL T 490 ? 1.3799 1.2310 1.1589 0.0038 -0.0985 -0.0281 491 VAL b CG1 +32312 C CG1 B VAL T 490 ? 1.3813 1.2326 1.1605 0.0038 -0.0986 -0.0281 491 VAL b CG1 +32313 C CG2 A VAL T 490 ? 1.5220 1.3759 1.2986 0.0081 -0.1041 -0.0280 491 VAL b CG2 +32314 C CG2 B VAL T 490 ? 1.5221 1.3755 1.2980 0.0083 -0.1041 -0.0280 491 VAL b CG2 +32315 N N . GLU T 491 ? 1.7407 1.5785 1.4967 0.0073 -0.1087 -0.0348 492 GLU b N +32316 C CA . GLU T 491 ? 1.8037 1.6348 1.5520 0.0073 -0.1081 -0.0359 492 GLU b CA +32317 C C . GLU T 491 ? 1.8203 1.6522 1.5702 0.0049 -0.1121 -0.0397 492 GLU b C +32318 O O . GLU T 491 ? 1.7859 1.6224 1.5397 0.0044 -0.1165 -0.0416 492 GLU b O +32319 C CB . GLU T 491 ? 2.0089 1.8337 1.7460 0.0112 -0.1084 -0.0350 492 GLU b CB +32320 C CG . GLU T 491 ? 1.9053 1.7280 1.6396 0.0133 -0.1037 -0.0313 492 GLU b CG +32321 C CD . GLU T 491 ? 2.3002 2.1170 2.0237 0.0171 -0.1042 -0.0303 492 GLU b CD +32322 O OE1 . GLU T 491 ? 2.4364 2.2483 2.1524 0.0180 -0.1064 -0.0323 492 GLU b OE1 +32323 O OE2 . GLU T 491 ? 2.0761 1.8930 1.7984 0.0192 -0.1023 -0.0276 492 GLU b OE2 +32324 N N A TRP T 492 ? 1.5958 1.4233 1.3427 0.0033 -0.1107 -0.0408 493 TRP b N +32325 N N B TRP T 492 ? 1.5967 1.4242 1.3435 0.0033 -0.1107 -0.0409 493 TRP b N +32326 C CA A TRP T 492 ? 1.5171 1.3446 1.2650 0.0007 -0.1142 -0.0445 493 TRP b CA +32327 C CA B TRP T 492 ? 1.5158 1.3434 1.2637 0.0007 -0.1141 -0.0445 493 TRP b CA +32328 C C A TRP T 492 ? 1.6341 1.4580 1.3739 0.0028 -0.1186 -0.0466 493 TRP b C +32329 C C B TRP T 492 ? 1.6340 1.4579 1.3737 0.0028 -0.1186 -0.0466 493 TRP b C +32330 O O A TRP T 492 ? 1.6800 1.4990 1.4111 0.0062 -0.1181 -0.0452 493 TRP b O +32331 O O B TRP T 492 ? 1.6799 1.4989 1.4110 0.0062 -0.1181 -0.0452 493 TRP b O +32332 C CB A TRP T 492 ? 1.5239 1.3470 1.2701 -0.0014 -0.1112 -0.0450 493 TRP b CB +32333 C CB B TRP T 492 ? 1.5238 1.3469 1.2701 -0.0014 -0.1111 -0.0450 493 TRP b CB +32334 C CG A TRP T 492 ? 1.4547 1.2813 1.2093 -0.0041 -0.1075 -0.0436 493 TRP b CG +32335 C CG B TRP T 492 ? 1.4546 1.2815 1.2094 -0.0041 -0.1075 -0.0436 493 TRP b CG +32336 C CD1 A TRP T 492 ? 1.4074 1.2376 1.1695 -0.0080 -0.1081 -0.0454 493 TRP b CD1 +32337 C CD1 B TRP T 492 ? 1.4070 1.2375 1.1694 -0.0080 -0.1082 -0.0454 493 TRP b CD1 +32338 C CD2 A TRP T 492 ? 1.3899 1.2168 1.1460 -0.0031 -0.1025 -0.0402 493 TRP b CD2 +32339 C CD2 B TRP T 492 ? 1.3897 1.2168 1.1460 -0.0031 -0.1026 -0.0402 493 TRP b CD2 +32340 N NE1 A TRP T 492 ? 1.3601 1.1925 1.1280 -0.0093 -0.1039 -0.0433 493 TRP b NE1 +32341 N NE1 B TRP T 492 ? 1.3609 1.1937 1.1292 -0.0093 -0.1040 -0.0433 493 TRP b NE1 +32342 C CE2 A TRP T 492 ? 1.3735 1.2040 1.1378 -0.0064 -0.1006 -0.0402 493 TRP b CE2 +32343 C CE2 B TRP T 492 ? 1.3740 1.2049 1.1388 -0.0064 -0.1006 -0.0401 493 TRP b CE2 +32344 C CE3 A TRP T 492 ? 1.3476 1.1719 1.0987 0.0002 -0.0996 -0.0373 493 TRP b CE3 +32345 C CE3 B TRP T 492 ? 1.3462 1.1707 1.0974 0.0002 -0.0996 -0.0373 493 TRP b CE3 +32346 C CZ2 A TRP T 492 ? 1.2264 1.0582 0.9942 -0.0063 -0.0960 -0.0373 493 TRP b CZ2 +32347 C CZ2 B TRP T 492 ? 1.2260 1.0582 0.9942 -0.0063 -0.0961 -0.0373 493 TRP b CZ2 +32348 C CZ3 A TRP T 492 ? 1.3603 1.1861 1.1152 0.0000 -0.0950 -0.0345 493 TRP b CZ3 +32349 C CZ3 B TRP T 492 ? 1.3595 1.1855 1.1146 0.0000 -0.0951 -0.0345 493 TRP b CZ3 +32350 C CH2 A TRP T 492 ? 1.3095 1.1390 1.0726 -0.0031 -0.0934 -0.0345 493 TRP b CH2 +32351 C CH2 B TRP T 492 ? 1.3115 1.1413 1.0749 -0.0031 -0.0934 -0.0345 493 TRP b CH2 +32352 N N . GLY T 493 ? 1.5887 1.4150 1.3313 0.0006 -0.1231 -0.0500 494 GLY b N +32353 C CA . GLY T 493 ? 1.7363 1.5591 1.4715 0.0021 -0.1277 -0.0525 494 GLY b CA +32354 C C . GLY T 493 ? 1.7029 1.5291 1.4379 0.0047 -0.1319 -0.0528 494 GLY b C +32355 O O . GLY T 493 ? 1.6971 1.5200 1.4251 0.0064 -0.1358 -0.0548 494 GLY b O +32356 N N . PHE T 494 ? 1.5789 1.4113 1.3209 0.0051 -0.1314 -0.0510 495 PHE b N +32357 C CA . PHE T 494 ? 1.6449 1.4805 1.3867 0.0078 -0.1353 -0.0511 495 PHE b CA +32358 C C . PHE T 494 ? 1.5106 1.3547 1.2626 0.0055 -0.1393 -0.0536 495 PHE b C +32359 O O . PHE T 494 ? 1.6025 1.4483 1.3532 0.0069 -0.1444 -0.0557 495 PHE b O +32360 C CB . PHE T 494 ? 1.6834 1.5192 1.4246 0.0107 -0.1321 -0.0472 495 PHE b CB +32361 C CG . PHE T 494 ? 1.6989 1.5265 1.4290 0.0137 -0.1292 -0.0450 495 PHE b CG +32362 C CD1 . PHE T 494 ? 1.8068 1.6304 1.5278 0.0174 -0.1319 -0.0449 495 PHE b CD1 +32363 C CD2 . PHE T 494 ? 1.6685 1.4926 1.3971 0.0130 -0.1237 -0.0429 495 PHE b CD2 +32364 C CE1 . PHE T 494 ? 1.7615 1.5776 1.4722 0.0202 -0.1290 -0.0429 495 PHE b CE1 +32365 C CE2 . PHE T 494 ? 1.7791 1.5960 1.4978 0.0158 -0.1209 -0.0409 495 PHE b CE2 +32366 C CZ . PHE T 494 ? 1.8333 1.6462 1.5430 0.0193 -0.1234 -0.0409 495 PHE b CZ +32367 N N . TYR T 495 ? 1.7370 1.5866 1.4991 0.0021 -0.1372 -0.0535 496 TYR b N +32368 C CA . TYR T 495 ? 1.7452 1.6032 1.5176 -0.0003 -0.1404 -0.0558 496 TYR b CA +32369 C C . TYR T 495 ? 1.4609 1.3196 1.2377 -0.0050 -0.1404 -0.0584 496 TYR b C +32370 O O . TYR T 495 ? 1.6114 1.4663 1.3871 -0.0067 -0.1362 -0.0574 496 TYR b O +32371 C CB . TYR T 495 ? 1.6604 1.5249 1.4416 -0.0005 -0.1381 -0.0534 496 TYR b CB +32372 C CG . TYR T 495 ? 1.7555 1.6197 1.5332 0.0039 -0.1382 -0.0508 496 TYR b CG +32373 C CD1 . TYR T 495 ? 1.9727 1.8332 1.7418 0.0074 -0.1418 -0.0514 496 TYR b CD1 +32374 C CD2 . TYR T 495 ? 1.9237 1.7912 1.7065 0.0044 -0.1348 -0.0479 496 TYR b CD2 +32375 C CE1 . TYR T 495 ? 2.0205 1.8802 1.7859 0.0114 -0.1418 -0.0490 496 TYR b CE1 +32376 C CE2 . TYR T 495 ? 2.0516 1.9184 1.8309 0.0082 -0.1348 -0.0455 496 TYR b CE2 +32377 C CZ . TYR T 495 ? 2.1290 1.9919 1.8997 0.0117 -0.1383 -0.0460 496 TYR b CZ +32378 O OH . TYR T 495 ? 1.9882 1.8499 1.7550 0.0156 -0.1383 -0.0436 496 TYR b OH +32379 N N . GLN T 496 ? 1.3006 1.1642 1.0823 -0.0070 -0.1451 -0.0620 497 GLN b N +32380 C CA . GLN T 496 ? 1.5231 1.3882 1.3101 -0.0118 -0.1452 -0.0646 497 GLN b CA +32381 C C . GLN T 496 ? 1.2573 1.1275 1.0543 -0.0148 -0.1413 -0.0632 497 GLN b C +32382 O O . GLN T 496 ? 1.2461 1.1133 1.0434 -0.0173 -0.1375 -0.0626 497 GLN b O +32383 C CB . GLN T 496 ? 1.3895 1.2594 1.1801 -0.0132 -0.1513 -0.0687 497 GLN b CB +32384 C CG . GLN T 496 ? 1.6806 1.5452 1.4613 -0.0106 -0.1555 -0.0707 497 GLN b CG +32385 C CD . GLN T 496 ? 1.8484 1.7188 1.6333 -0.0116 -0.1618 -0.0746 497 GLN b CD +32386 O OE1 . GLN T 496 ? 1.8137 1.6864 1.6035 -0.0157 -0.1634 -0.0777 497 GLN b OE1 +32387 N NE2 . GLN T 496 ? 1.5116 1.3844 1.2948 -0.0078 -0.1655 -0.0745 497 GLN b NE2 +32388 N N . LYS T 497 ? 1.5207 1.3986 1.3256 -0.0143 -0.1421 -0.0626 498 LYS b N +32389 C CA . LYS T 497 ? 1.5666 1.4499 1.3811 -0.0168 -0.1387 -0.0611 498 LYS b CA +32390 C C . LYS T 497 ? 1.6229 1.5051 1.4357 -0.0137 -0.1348 -0.0570 498 LYS b C +32391 O O . LYS T 497 ? 1.4901 1.3729 1.3001 -0.0100 -0.1365 -0.0558 498 LYS b O +32392 C CB . LYS T 497 ? 1.3665 1.2595 1.1914 -0.0184 -0.1421 -0.0634 498 LYS b CB +32393 C CG . LYS T 497 ? 1.2231 1.1222 1.0585 -0.0215 -0.1389 -0.0625 498 LYS b CG +32394 C CD . LYS T 497 ? 1.1232 1.0320 0.9681 -0.0222 -0.1425 -0.0645 498 LYS b CD +32395 C CE . LYS T 497 ? 1.1754 1.0904 1.0308 -0.0254 -0.1394 -0.0639 498 LYS b CE +32396 N NZ . LYS T 497 ? 1.0822 1.0070 0.9473 -0.0262 -0.1428 -0.0661 498 LYS b NZ +32397 N N . VAL T 498 ? 1.2420 1.1221 1.0560 -0.0152 -0.1296 -0.0547 499 VAL b N +32398 C CA . VAL T 498 ? 1.4479 1.3257 1.2593 -0.0125 -0.1256 -0.0508 499 VAL b CA +32399 C C . VAL T 498 ? 1.3985 1.2830 1.2161 -0.0110 -0.1263 -0.0496 499 VAL b C +32400 O O . VAL T 498 ? 1.4099 1.3015 1.2371 -0.0134 -0.1267 -0.0505 499 VAL b O +32401 C CB . VAL T 498 ? 1.3556 1.2311 1.1687 -0.0149 -0.1203 -0.0491 499 VAL b CB +32402 C CG1 . VAL T 498 ? 1.0890 0.9616 0.8985 -0.0120 -0.1161 -0.0452 499 VAL b CG1 +32403 C CG2 . VAL T 498 ? 1.1569 1.0260 0.9644 -0.0167 -0.1199 -0.0507 499 VAL b CG2 +32404 N N . GLY T 499 ? 1.4891 1.3714 1.3012 -0.0069 -0.1264 -0.0474 500 GLY b N +32405 C CA . GLY T 499 ? 1.6574 1.5452 1.4744 -0.0049 -0.1269 -0.0460 500 GLY b CA +32406 C C . GLY T 499 ? 1.7490 1.6408 1.5669 -0.0033 -0.1326 -0.0483 500 GLY b C +32407 O O . GLY T 499 ? 1.8913 1.7849 1.7089 -0.0001 -0.1337 -0.0469 500 GLY b O +32408 N N . ASP T 500 ? 1.7054 1.5983 1.5242 -0.0053 -0.1362 -0.0518 501 ASP b N +32409 C CA . ASP T 500 ? 1.6645 1.5620 1.4852 -0.0041 -0.1420 -0.0545 501 ASP b CA +32410 C C . ASP T 500 ? 1.7780 1.6694 1.5876 0.0000 -0.1447 -0.0544 501 ASP b C +32411 O O . ASP T 500 ? 1.6233 1.5088 1.4257 -0.0002 -0.1454 -0.0556 501 ASP b O +32412 C CB . ASP T 500 ? 1.4513 1.3523 1.2773 -0.0082 -0.1447 -0.0585 501 ASP b CB +32413 C CG . ASP T 500 ? 1.3477 1.2573 1.1813 -0.0082 -0.1495 -0.0611 501 ASP b CG +32414 O OD1 . ASP T 500 ? 1.3831 1.2933 1.2135 -0.0043 -0.1528 -0.0610 501 ASP b OD1 +32415 O OD2 . ASP T 500 ? 1.6316 1.5473 1.4743 -0.0121 -0.1500 -0.0633 501 ASP b OD2 +32416 N N . VAL T 501 ? 1.8008 1.6933 1.6088 0.0039 -0.1461 -0.0528 502 VAL b N +32417 C CA . VAL T 501 ? 1.7653 1.6518 1.5624 0.0081 -0.1484 -0.0523 502 VAL b CA +32418 C C . VAL T 501 ? 1.6871 1.5750 1.4827 0.0084 -0.1546 -0.0561 502 VAL b C +32419 O O . VAL T 501 ? 1.7385 1.6201 1.5242 0.0109 -0.1566 -0.0566 502 VAL b O +32420 C CB . VAL T 501 ? 1.7024 1.5896 1.4984 0.0120 -0.1480 -0.0495 502 VAL b CB +32421 C CG1 . VAL T 501 ? 1.6806 1.5601 1.4642 0.0163 -0.1492 -0.0483 502 VAL b CG1 +32422 C CG2 . VAL T 501 ? 1.8499 1.7373 1.6494 0.0111 -0.1420 -0.0461 502 VAL b CG2 +32423 N N . THR T 502 ? 1.5960 1.4921 1.4013 0.0061 -0.1577 -0.0590 503 THR b N +32424 C CA . THR T 502 ? 1.5740 1.4725 1.3792 0.0061 -0.1639 -0.0629 503 THR b CA +32425 C C . THR T 502 ? 1.6091 1.5043 1.4120 0.0027 -0.1645 -0.0656 503 THR b C +32426 O O . THR T 502 ? 1.4962 1.3952 1.3022 0.0012 -0.1691 -0.0693 503 THR b O +32427 C CB . THR T 502 ? 1.5960 1.5051 1.4131 0.0048 -0.1669 -0.0650 503 THR b CB +32428 O OG1 . THR T 502 ? 1.4006 1.3142 1.2271 -0.0002 -0.1642 -0.0659 503 THR b OG1 +32429 C CG2 . THR T 502 ? 1.3489 1.2613 1.1686 0.0081 -0.1661 -0.0623 503 THR b CG2 +32430 N N . THR T 503 ? 1.6824 1.5706 1.4800 0.0015 -0.1600 -0.0639 504 THR b N +32431 C CA . THR T 503 ? 1.5973 1.4812 1.3915 -0.0015 -0.1603 -0.0663 504 THR b CA +32432 C C . THR T 503 ? 1.4338 1.3073 1.2152 0.0009 -0.1582 -0.0646 504 THR b C +32433 O O . THR T 503 ? 1.2506 1.1191 1.0288 -0.0014 -0.1561 -0.0651 504 THR b O +32434 C CB . THR T 503 ? 1.5986 1.4850 1.4009 -0.0065 -0.1565 -0.0665 504 THR b CB +32435 O OG1 . THR T 503 ? 1.4131 1.2989 1.2170 -0.0060 -0.1509 -0.0627 504 THR b OG1 +32436 C CG2 . THR T 503 ? 1.3997 1.2959 1.2139 -0.0096 -0.1594 -0.0694 504 THR b CG2 +32437 N N . ARG T 504 ? 1.7830 1.6530 1.5569 0.0056 -0.1588 -0.0625 505 ARG b N +32438 C CA . ARG T 504 ? 1.8492 1.7095 1.6105 0.0081 -0.1573 -0.0611 505 ARG b CA +32439 C C . ARG T 504 ? 1.4991 1.3557 1.2545 0.0075 -0.1614 -0.0647 505 ARG b C +32440 O O . ARG T 504 ? 1.5075 1.3574 1.2567 0.0065 -0.1594 -0.0649 505 ARG b O +32441 C CB . ARG T 504 ? 1.6276 1.4850 1.3820 0.0132 -0.1575 -0.0584 505 ARG b CB +32442 C CG . ARG T 504 ? 1.7517 1.5992 1.4939 0.0156 -0.1542 -0.0561 505 ARG b CG +32443 C CD . ARG T 504 ? 2.0484 1.8903 1.7795 0.0191 -0.1585 -0.0574 505 ARG b CD +32444 N NE . ARG T 504 ? 2.2578 2.1004 1.9888 0.0172 -0.1632 -0.0617 505 ARG b NE +32445 C CZ . ARG T 504 ? 2.0109 1.8478 1.7367 0.0155 -0.1626 -0.0632 505 ARG b CZ +32446 N NH1 . ARG T 504 ? 2.1691 1.9996 1.8894 0.0155 -0.1574 -0.0609 505 ARG b NH1 +32447 N NH2 . ARG T 504 ? 1.7484 1.5865 1.4748 0.0136 -0.1673 -0.0672 505 ARG b NH2 +32448 N N . ASN U 1 ? 2.1108 1.7463 1.5989 0.0660 -0.0473 -0.0484 19 ASN c N +32449 C CA . ASN U 1 ? 1.8404 1.4762 1.3274 0.0644 -0.0533 -0.0495 19 ASN c CA +32450 C C . ASN U 1 ? 2.1216 1.7666 1.6216 0.0611 -0.0553 -0.0480 19 ASN c C +32451 O O . ASN U 1 ? 1.9295 1.5760 1.4336 0.0583 -0.0605 -0.0499 19 ASN c O +32452 C CB . ASN U 1 ? 1.8531 1.4853 1.3300 0.0673 -0.0528 -0.0485 19 ASN c CB +32453 C CG . ASN U 1 ? 2.0589 1.6946 1.5374 0.0692 -0.0468 -0.0448 19 ASN c CG +32454 O OD1 . ASN U 1 ? 1.8728 1.5141 1.3566 0.0683 -0.0469 -0.0425 19 ASN c OD1 +32455 N ND2 . ASN U 1 ? 2.1413 1.7739 1.6154 0.0717 -0.0413 -0.0442 19 ASN c ND2 +32456 N N . SER U 2 ? 1.9127 1.5638 1.4192 0.0614 -0.0511 -0.0446 20 SER c N +32457 C CA . SER U 2 ? 1.5916 1.2513 1.1100 0.0587 -0.0524 -0.0429 20 SER c CA +32458 C C . SER U 2 ? 1.6236 1.2888 1.1527 0.0572 -0.0489 -0.0416 20 SER c C +32459 O O . SER U 2 ? 1.3148 0.9789 0.8428 0.0590 -0.0438 -0.0407 20 SER c O +32460 C CB . SER U 2 ? 1.6323 1.2949 1.1501 0.0600 -0.0507 -0.0399 20 SER c CB +32461 O OG . SER U 2 ? 1.4808 1.1521 1.0107 0.0577 -0.0503 -0.0378 20 SER c OG +32462 N N . ILE U 3 ? 1.3261 0.9976 0.8659 0.0538 -0.0517 -0.0417 21 ILE c N +32463 C CA . ILE U 3 ? 1.5357 1.2127 1.0860 0.0522 -0.0488 -0.0404 21 ILE c CA +32464 C C . ILE U 3 ? 1.4968 1.1786 1.0510 0.0536 -0.0435 -0.0368 21 ILE c C +32465 O O . ILE U 3 ? 1.2778 0.9625 0.8377 0.0537 -0.0395 -0.0357 21 ILE c O +32466 C CB . ILE U 3 ? 1.4291 1.1117 0.9896 0.0483 -0.0530 -0.0411 21 ILE c CB +32467 C CG1 . ILE U 3 ? 1.5631 1.2496 1.1329 0.0466 -0.0505 -0.0405 21 ILE c CG1 +32468 C CG2 . ILE U 3 ? 1.3619 1.0506 0.9276 0.0474 -0.0544 -0.0391 21 ILE c CG2 +32469 C CD1 . ILE U 3 ? 1.4599 1.1521 1.0399 0.0428 -0.0540 -0.0410 21 ILE c CD1 +32470 N N . PHE U 4 ? 1.3266 1.0093 0.8778 0.0548 -0.0433 -0.0351 22 PHE c N +32471 C CA . PHE U 4 ? 1.3531 1.0400 0.9074 0.0560 -0.0383 -0.0318 22 PHE c CA +32472 C C . PHE U 4 ? 1.1947 0.8763 0.7389 0.0596 -0.0339 -0.0310 22 PHE c C +32473 O O . PHE U 4 ? 1.2793 0.9632 0.8236 0.0608 -0.0302 -0.0284 22 PHE c O +32474 C CB . PHE U 4 ? 1.2224 0.9140 0.7806 0.0548 -0.0405 -0.0300 22 PHE c CB +32475 C CG . PHE U 4 ? 1.5433 1.2408 1.1119 0.0514 -0.0444 -0.0306 22 PHE c CG +32476 C CD1 . PHE U 4 ? 1.2292 0.9322 0.8082 0.0495 -0.0425 -0.0298 22 PHE c CD1 +32477 C CD2 . PHE U 4 ? 1.2998 0.9973 0.8677 0.0501 -0.0501 -0.0319 22 PHE c CD2 +32478 C CE1 . PHE U 4 ? 1.3740 1.0822 0.9624 0.0463 -0.0460 -0.0303 22 PHE c CE1 +32479 C CE2 . PHE U 4 ? 1.6324 1.3354 1.2100 0.0469 -0.0536 -0.0325 22 PHE c CE2 +32480 C CZ . PHE U 4 ? 1.4500 1.1583 1.0378 0.0449 -0.0515 -0.0317 22 PHE c CZ +32481 N N . ALA U 5 ? 1.2681 0.9425 0.8035 0.0613 -0.0341 -0.0334 23 ALA c N +32482 C CA . ALA U 5 ? 1.4218 1.0906 0.9467 0.0648 -0.0303 -0.0329 23 ALA c CA +32483 C C . ALA U 5 ? 1.2232 0.8951 0.7517 0.0662 -0.0236 -0.0308 23 ALA c C +32484 O O . ALA U 5 ? 1.3441 1.0142 0.8668 0.0687 -0.0195 -0.0292 23 ALA c O +32485 C CB . ALA U 5 ? 1.3263 0.9866 0.8409 0.0662 -0.0323 -0.0361 23 ALA c CB +32486 N N . THR U 6 ? 1.3309 1.0073 0.8687 0.0648 -0.0223 -0.0306 24 THR c N +32487 C CA . THR U 6 ? 1.1536 0.8328 0.6947 0.0664 -0.0162 -0.0290 24 THR c CA +32488 C C . THR U 6 ? 1.1858 0.8732 0.7365 0.0651 -0.0137 -0.0258 24 THR c C +32489 O O . THR U 6 ? 1.1861 0.8769 0.7407 0.0631 -0.0167 -0.0249 24 THR c O +32490 C CB . THR U 6 ? 1.3259 1.0049 0.8711 0.0659 -0.0159 -0.0306 24 THR c CB +32491 O OG1 . THR U 6 ? 1.2782 0.9640 0.8353 0.0628 -0.0177 -0.0299 24 THR c OG1 +32492 C CG2 . THR U 6 ? 1.2223 0.8934 0.7593 0.0661 -0.0199 -0.0340 24 THR c CG2 +32493 N N . ASN U 7 ? 1.1546 0.8454 0.7092 0.0663 -0.0082 -0.0242 25 ASN c N +32494 C CA . ASN U 7 ? 1.3559 1.0549 0.9204 0.0649 -0.0058 -0.0214 25 ASN c CA +32495 C C . ASN U 7 ? 1.3231 1.0281 0.8994 0.0624 -0.0070 -0.0215 25 ASN c C +32496 O O . ASN U 7 ? 1.2250 0.9369 0.8101 0.0614 -0.0046 -0.0193 25 ASN c O +32497 C CB . ASN U 7 ? 1.0372 0.7376 0.6004 0.0673 0.0008 -0.0195 25 ASN c CB +32498 C CG . ASN U 7 ? 1.2398 0.9393 0.8033 0.0692 0.0042 -0.0205 25 ASN c CG +32499 O OD1 . ASN U 7 ? 1.2938 0.9919 0.8592 0.0685 0.0017 -0.0224 25 ASN c OD1 +32500 N ND2 . ASN U 7 ? 1.2036 0.9040 0.7655 0.0715 0.0099 -0.0191 25 ASN c ND2 +32501 N N . ARG U 8 ? 1.2512 0.9533 0.8273 0.0614 -0.0106 -0.0239 26 ARG c N +32502 C CA . ARG U 8 ? 1.1004 0.8070 0.6865 0.0592 -0.0117 -0.0242 26 ARG c CA +32503 C C . ARG U 8 ? 1.1220 0.8311 0.7131 0.0559 -0.0171 -0.0246 26 ARG c C +32504 O O . ARG U 8 ? 1.0841 0.7912 0.6760 0.0542 -0.0209 -0.0268 26 ARG c O +32505 C CB . ARG U 8 ? 0.9933 0.6951 0.5762 0.0603 -0.0117 -0.0265 26 ARG c CB +32506 C CG . ARG U 8 ? 1.1516 0.8513 0.7301 0.0638 -0.0062 -0.0261 26 ARG c CG +32507 C CD . ARG U 8 ? 1.1462 0.8414 0.7224 0.0649 -0.0062 -0.0283 26 ARG c CD +32508 N NE . ARG U 8 ? 1.3063 0.9940 0.8743 0.0646 -0.0105 -0.0311 26 ARG c NE +32509 C CZ . ARG U 8 ? 1.4072 1.0875 0.9640 0.0672 -0.0099 -0.0326 26 ARG c CZ +32510 N NH1 . ARG U 8 ? 1.1882 0.8677 0.7403 0.0703 -0.0051 -0.0314 26 ARG c NH1 +32511 N NH2 . ARG U 8 ? 1.2925 0.9662 0.8426 0.0666 -0.0142 -0.0352 26 ARG c NH2 +32512 N N . ASP U 9 ? 1.0698 0.7834 0.6644 0.0548 -0.0173 -0.0226 27 ASP c N +32513 C CA . ASP U 9 ? 1.0247 0.7415 0.6246 0.0519 -0.0221 -0.0228 27 ASP c CA +32514 C C . ASP U 9 ? 1.0628 0.7863 0.6695 0.0510 -0.0203 -0.0198 27 ASP c C +32515 O O . ASP U 9 ? 1.0802 0.8051 0.6862 0.0527 -0.0157 -0.0179 27 ASP c O +32516 C CB . ASP U 9 ? 1.2416 0.9530 0.8333 0.0519 -0.0268 -0.0246 27 ASP c CB +32517 C CG . ASP U 9 ? 1.2135 0.9204 0.7950 0.0547 -0.0249 -0.0239 27 ASP c CG +32518 O OD1 . ASP U 9 ? 1.0204 0.7305 0.6034 0.0554 -0.0217 -0.0213 27 ASP c OD1 +32519 O OD2 . ASP U 9 ? 1.1209 0.8208 0.6927 0.0561 -0.0267 -0.0259 27 ASP c OD2 +32520 N N . GLN U 10 ? 1.0616 0.7894 0.6752 0.0483 -0.0239 -0.0196 28 GLN c N +32521 C CA . GLN U 10 ? 1.1530 0.8871 0.7732 0.0473 -0.0225 -0.0170 28 GLN c CA +32522 C C . GLN U 10 ? 1.1801 0.9116 0.7930 0.0489 -0.0219 -0.0157 28 GLN c C +32523 O O . GLN U 10 ? 1.1826 0.9171 0.7972 0.0496 -0.0181 -0.0133 28 GLN c O +32524 C CB . GLN U 10 ? 0.9199 0.6588 0.5487 0.0441 -0.0266 -0.0172 28 GLN c CB +32525 C CG . GLN U 10 ? 1.2108 0.9566 0.8477 0.0430 -0.0250 -0.0145 28 GLN c CG +32526 C CD . GLN U 10 ? 1.2190 0.9699 0.8649 0.0399 -0.0287 -0.0147 28 GLN c CD +32527 O OE1 . GLN U 10 ? 1.2556 1.0052 0.9021 0.0385 -0.0325 -0.0169 28 GLN c OE1 +32528 N NE2 . GLN U 10 ? 1.2731 1.0299 0.9261 0.0388 -0.0274 -0.0124 28 GLN c NE2 +32529 N N . GLU U 11 ? 1.3777 1.1037 0.9822 0.0496 -0.0256 -0.0175 29 GLU c N +32530 C CA . GLU U 11 ? 1.1936 0.9163 0.7901 0.0513 -0.0256 -0.0165 29 GLU c CA +32531 C C . GLU U 11 ? 1.0058 0.7264 0.5969 0.0539 -0.0198 -0.0149 29 GLU c C +32532 O O . GLU U 11 ? 1.0373 0.7590 0.6273 0.0545 -0.0176 -0.0126 29 GLU c O +32533 C CB . GLU U 11 ? 1.2639 0.9802 0.8515 0.0519 -0.0305 -0.0191 29 GLU c CB +32534 C CG . GLU U 11 ? 1.3421 1.0534 0.9194 0.0541 -0.0306 -0.0185 29 GLU c CG +32535 C CD . GLU U 11 ? 1.1840 0.8889 0.7512 0.0570 -0.0270 -0.0189 29 GLU c CD +32536 O OE1 . GLU U 11 ? 1.2342 0.9359 0.7991 0.0574 -0.0273 -0.0211 29 GLU c OE1 +32537 O OE2 . GLU U 11 ? 1.4446 1.1476 1.0061 0.0589 -0.0238 -0.0171 29 GLU c OE2 +32538 N N . SER U 12 ? 1.0404 0.7581 0.6284 0.0554 -0.0171 -0.0160 30 SER c N +32539 C CA . SER U 12 ? 1.2051 0.9211 0.7882 0.0579 -0.0114 -0.0145 30 SER c CA +32540 C C . SER U 12 ? 1.2734 0.9965 0.8661 0.0572 -0.0067 -0.0121 30 SER c C +32541 O O . SER U 12 ? 1.2964 1.0204 0.8875 0.0583 -0.0025 -0.0100 30 SER c O +32542 C CB . SER U 12 ? 1.1795 0.8896 0.7554 0.0601 -0.0100 -0.0166 30 SER c CB +32543 O OG . SER U 12 ? 1.3386 1.0414 0.9035 0.0614 -0.0131 -0.0183 30 SER c OG +32544 N N . SER U 13 ? 1.2989 1.0270 0.9013 0.0554 -0.0073 -0.0125 31 SER c N +32545 C CA . SER U 13 ? 1.2190 0.9531 0.8295 0.0552 -0.0026 -0.0106 31 SER c CA +32546 C C . SER U 13 ? 1.0838 0.8250 0.7039 0.0528 -0.0030 -0.0085 31 SER c C +32547 O O . SER U 13 ? 1.0064 0.7524 0.6319 0.0528 0.0013 -0.0066 31 SER c O +32548 C CB . SER U 13 ? 1.0823 0.8175 0.6975 0.0550 -0.0024 -0.0121 31 SER c CB +32549 O OG . SER U 13 ? 1.0679 0.8050 0.6889 0.0525 -0.0071 -0.0132 31 SER c OG +32550 N N . GLY U 14 ? 1.1119 0.8541 0.7344 0.0507 -0.0078 -0.0089 32 GLY c N +32551 C CA . GLY U 14 ? 0.9975 0.7463 0.6295 0.0484 -0.0085 -0.0072 32 GLY c CA +32552 C C . GLY U 14 ? 1.1561 0.9099 0.7982 0.0462 -0.0098 -0.0077 32 GLY c C +32553 O O . GLY U 14 ? 1.0131 0.7720 0.6629 0.0440 -0.0113 -0.0067 32 GLY c O +32554 N N . PHE U 15 ? 0.9726 0.7247 0.6145 0.0469 -0.0092 -0.0094 33 PHE c N +32555 C CA . PHE U 15 ? 0.9570 0.7132 0.6077 0.0452 -0.0099 -0.0099 33 PHE c CA +32556 C C . PHE U 15 ? 1.0790 0.8318 0.7281 0.0440 -0.0148 -0.0125 33 PHE c C +32557 O O . PHE U 15 ? 1.0240 0.7705 0.6648 0.0455 -0.0158 -0.0144 33 PHE c O +32558 C CB . PHE U 15 ? 0.9677 0.7246 0.6198 0.0469 -0.0055 -0.0098 33 PHE c CB +32559 C CG . PHE U 15 ? 1.1457 0.9077 0.8022 0.0474 -0.0007 -0.0074 33 PHE c CG +32560 C CD1 . PHE U 15 ? 0.8696 0.6387 0.5365 0.0454 -0.0002 -0.0059 33 PHE c CD1 +32561 C CD2 . PHE U 15 ? 0.8976 0.6574 0.5479 0.0498 0.0033 -0.0065 33 PHE c CD2 +32562 C CE1 . PHE U 15 ? 0.9728 0.7467 0.6440 0.0458 0.0041 -0.0037 33 PHE c CE1 +32563 C CE2 . PHE U 15 ? 1.0251 0.7897 0.6797 0.0501 0.0078 -0.0043 33 PHE c CE2 +32564 C CZ . PHE U 15 ? 0.9879 0.7597 0.6530 0.0480 0.0081 -0.0029 33 PHE c CZ +32565 N N . ALA U 16 ? 0.9192 0.6761 0.5763 0.0413 -0.0177 -0.0127 34 ALA c N +32566 C CA . ALA U 16 ? 0.9954 0.7499 0.6525 0.0398 -0.0220 -0.0151 34 ALA c CA +32567 C C . ALA U 16 ? 1.0522 0.8041 0.7086 0.0406 -0.0204 -0.0165 34 ALA c C +32568 O O . ALA U 16 ? 1.0157 0.7687 0.6732 0.0423 -0.0162 -0.0155 34 ALA c O +32569 C CB . ALA U 16 ? 0.9379 0.6979 0.6043 0.0366 -0.0249 -0.0148 34 ALA c CB +32570 N N . TRP U 17 ? 0.9714 0.7195 0.6257 0.0395 -0.0240 -0.0189 35 TRP c N +32571 C CA . TRP U 17 ? 0.9587 0.7031 0.6111 0.0404 -0.0231 -0.0205 35 TRP c CA +32572 C C . TRP U 17 ? 1.0234 0.7727 0.6846 0.0396 -0.0208 -0.0194 35 TRP c C +32573 O O . TRP U 17 ? 0.9900 0.7375 0.6500 0.0414 -0.0180 -0.0197 35 TRP c O +32574 C CB . TRP U 17 ? 1.0065 0.7461 0.6556 0.0388 -0.0277 -0.0233 35 TRP c CB +32575 C CG . TRP U 17 ? 1.0831 0.8270 0.7404 0.0352 -0.0311 -0.0236 35 TRP c CG +32576 C CD1 . TRP U 17 ? 1.1136 0.8603 0.7735 0.0333 -0.0345 -0.0235 35 TRP c CD1 +32577 C CD2 . TRP U 17 ? 1.0640 0.8099 0.7281 0.0333 -0.0312 -0.0240 35 TRP c CD2 +32578 N NE1 . TRP U 17 ? 1.1096 0.8601 0.7776 0.0302 -0.0367 -0.0238 35 TRP c NE1 +32579 C CE2 . TRP U 17 ? 1.0366 0.7866 0.7072 0.0301 -0.0347 -0.0241 35 TRP c CE2 +32580 C CE3 . TRP U 17 ? 1.0686 0.8131 0.7338 0.0342 -0.0288 -0.0242 35 TRP c CE3 +32581 C CZ2 . TRP U 17 ? 1.1826 0.9351 0.8603 0.0276 -0.0356 -0.0244 35 TRP c CZ2 +32582 C CZ3 . TRP U 17 ? 1.0710 0.8178 0.7431 0.0317 -0.0299 -0.0245 35 TRP c CZ3 +32583 C CH2 . TRP U 17 ? 1.1324 0.8831 0.8106 0.0284 -0.0332 -0.0246 35 TRP c CH2 +32584 N N A TRP U 18 ? 0.9275 0.6828 0.5975 0.0370 -0.0221 -0.0183 36 TRP c N +32585 N N B TRP U 18 ? 0.9258 0.6812 0.5958 0.0370 -0.0221 -0.0183 36 TRP c N +32586 C CA A TRP U 18 ? 1.0363 0.7962 0.7146 0.0362 -0.0202 -0.0173 36 TRP c CA +32587 C CA B TRP U 18 ? 1.0377 0.7976 0.7160 0.0362 -0.0202 -0.0173 36 TRP c CA +32588 C C A TRP U 18 ? 1.0099 0.7736 0.6907 0.0382 -0.0154 -0.0151 36 TRP c C +32589 C C B TRP U 18 ? 1.0103 0.7741 0.6912 0.0382 -0.0154 -0.0151 36 TRP c C +32590 O O A TRP U 18 ? 1.0458 0.8127 0.7324 0.0382 -0.0134 -0.0144 36 TRP c O +32591 O O B TRP U 18 ? 1.0475 0.8150 0.7347 0.0380 -0.0135 -0.0143 36 TRP c O +32592 C CB A TRP U 18 ? 0.9568 0.7219 0.6435 0.0329 -0.0230 -0.0168 36 TRP c CB +32593 C CB B TRP U 18 ? 0.9543 0.7195 0.6411 0.0328 -0.0230 -0.0168 36 TRP c CB +32594 C CG A TRP U 18 ? 1.0108 0.7791 0.6987 0.0320 -0.0245 -0.0156 36 TRP c CG +32595 C CG B TRP U 18 ? 1.0114 0.7798 0.6995 0.0319 -0.0245 -0.0156 36 TRP c CG +32596 C CD1 A TRP U 18 ? 0.8938 0.6605 0.5794 0.0305 -0.0286 -0.0168 36 TRP c CD1 +32597 C CD1 B TRP U 18 ? 0.8898 0.6568 0.5757 0.0305 -0.0286 -0.0168 36 TRP c CD1 +32598 C CD2 A TRP U 18 ? 1.0215 0.7949 0.7132 0.0324 -0.0219 -0.0131 36 TRP c CD2 +32599 C CD2 B TRP U 18 ? 1.0227 0.7963 0.7146 0.0323 -0.0219 -0.0131 36 TRP c CD2 +32600 N NE1 A TRP U 18 ? 0.9718 0.7423 0.6595 0.0302 -0.0288 -0.0151 36 TRP c NE1 +32601 N NE1 B TRP U 18 ? 0.9707 0.7413 0.6586 0.0302 -0.0288 -0.0151 36 TRP c NE1 +32602 C CE2 A TRP U 18 ? 0.9572 0.7316 0.6485 0.0313 -0.0247 -0.0128 36 TRP c CE2 +32603 C CE2 B TRP U 18 ? 0.9557 0.7303 0.6472 0.0312 -0.0246 -0.0128 36 TRP c CE2 +32604 C CE3 A TRP U 18 ? 0.9445 0.7219 0.6402 0.0335 -0.0176 -0.0111 36 TRP c CE3 +32605 C CE3 B TRP U 18 ? 0.9433 0.7207 0.6391 0.0335 -0.0176 -0.0111 36 TRP c CE3 +32606 C CZ2 A TRP U 18 ? 0.9542 0.7328 0.6483 0.0313 -0.0232 -0.0106 36 TRP c CZ2 +32607 C CZ2 B TRP U 18 ? 0.9534 0.7322 0.6477 0.0313 -0.0231 -0.0105 36 TRP c CZ2 +32608 C CZ3 A TRP U 18 ? 0.9427 0.7245 0.6414 0.0334 -0.0161 -0.0089 36 TRP c CZ3 +32609 C CZ3 B TRP U 18 ? 0.9426 0.7244 0.6413 0.0334 -0.0161 -0.0089 36 TRP c CZ3 +32610 C CH2 A TRP U 18 ? 0.9009 0.6831 0.5987 0.0322 -0.0189 -0.0086 36 TRP c CH2 +32611 C CH2 B TRP U 18 ? 0.8996 0.6818 0.5974 0.0323 -0.0188 -0.0086 36 TRP c CH2 +32612 N N . ALA U 19 ? 0.9816 0.7447 0.6576 0.0400 -0.0134 -0.0141 37 ALA c N +32613 C CA . ALA U 19 ? 0.9616 0.7273 0.6385 0.0422 -0.0085 -0.0123 37 ALA c CA +32614 C C . ALA U 19 ? 1.0640 0.8238 0.7312 0.0453 -0.0064 -0.0133 37 ALA c C +32615 O O . ALA U 19 ? 0.8951 0.6557 0.5600 0.0472 -0.0027 -0.0119 37 ALA c O +32616 C CB . ALA U 19 ? 0.9116 0.6825 0.5923 0.0414 -0.0073 -0.0100 37 ALA c CB +32617 N N . GLY U 20 ? 0.9759 0.7294 0.6371 0.0458 -0.0086 -0.0156 38 GLY c N +32618 C CA . GLY U 20 ? 1.0384 0.7852 0.6891 0.0484 -0.0076 -0.0168 38 GLY c CA +32619 C C . GLY U 20 ? 1.0856 0.8328 0.7347 0.0515 -0.0024 -0.0160 38 GLY c C +32620 O O . GLY U 20 ? 1.0475 0.7916 0.6895 0.0537 -0.0003 -0.0158 38 GLY c O +32621 N N . ASN U 21 ? 0.9532 0.7041 0.6089 0.0517 -0.0002 -0.0155 39 ASN c N +32622 C CA . ASN U 21 ? 0.9148 0.6666 0.5697 0.0548 0.0047 -0.0149 39 ASN c CA +32623 C C . ASN U 21 ? 0.9181 0.6750 0.5755 0.0552 0.0082 -0.0125 39 ASN c C +32624 O O . ASN U 21 ? 0.9714 0.7289 0.6271 0.0578 0.0125 -0.0120 39 ASN c O +32625 C CB . ASN U 21 ? 0.9672 0.7218 0.6288 0.0549 0.0056 -0.0150 39 ASN c CB +32626 C CG . ASN U 21 ? 1.1133 0.8614 0.7704 0.0554 0.0033 -0.0174 39 ASN c CG +32627 O OD1 . ASN U 21 ? 1.0567 0.7980 0.7047 0.0569 0.0027 -0.0191 39 ASN c OD1 +32628 N ND2 . ASN U 21 ? 0.9349 0.6848 0.5981 0.0541 0.0020 -0.0177 39 ASN c ND2 +32629 N N . ALA U 22 ? 0.9706 0.7312 0.6319 0.0528 0.0066 -0.0111 40 ALA c N +32630 C CA . ALA U 22 ? 0.9077 0.6717 0.5695 0.0532 0.0098 -0.0090 40 ALA c CA +32631 C C . ALA U 22 ? 1.0390 0.7972 0.6902 0.0551 0.0106 -0.0094 40 ALA c C +32632 O O . ALA U 22 ? 1.0140 0.7736 0.6637 0.0563 0.0144 -0.0078 40 ALA c O +32633 C CB . ALA U 22 ? 0.9114 0.6806 0.5801 0.0503 0.0079 -0.0074 40 ALA c CB +32634 N N . ARG U 23 ? 0.9826 0.7339 0.6261 0.0554 0.0073 -0.0114 41 ARG c N +32635 C CA . ARG U 23 ? 1.1195 0.8646 0.7522 0.0575 0.0081 -0.0120 41 ARG c CA +32636 C C . ARG U 23 ? 1.1729 0.9164 0.8015 0.0608 0.0130 -0.0121 41 ARG c C +32637 O O . ARG U 23 ? 1.1040 0.8430 0.7238 0.0627 0.0147 -0.0122 41 ARG c O +32638 C CB . ARG U 23 ? 0.9696 0.7077 0.5950 0.0573 0.0034 -0.0145 41 ARG c CB +32639 C CG . ARG U 23 ? 0.9860 0.7252 0.6144 0.0542 -0.0017 -0.0146 41 ARG c CG +32640 C CD . ARG U 23 ? 0.9784 0.7120 0.6025 0.0535 -0.0065 -0.0174 41 ARG c CD +32641 N NE . ARG U 23 ? 1.0148 0.7501 0.6422 0.0506 -0.0112 -0.0176 41 ARG c NE +32642 C CZ . ARG U 23 ? 0.9837 0.7153 0.6086 0.0493 -0.0159 -0.0198 41 ARG c CZ +32643 N NH1 . ARG U 23 ? 0.9424 0.6679 0.5611 0.0504 -0.0167 -0.0221 41 ARG c NH1 +32644 N NH2 . ARG U 23 ? 0.9717 0.7059 0.6006 0.0467 -0.0199 -0.0198 41 ARG c NH2 +32645 N N . LEU U 24 ? 1.0007 0.7478 0.6352 0.0616 0.0155 -0.0121 42 LEU c N +32646 C CA . LEU U 24 ? 1.0906 0.8361 0.7216 0.0648 0.0199 -0.0125 42 LEU c CA +32647 C C . LEU U 24 ? 1.0258 0.7776 0.6614 0.0657 0.0251 -0.0103 42 LEU c C +32648 O O . LEU U 24 ? 1.1464 0.8978 0.7798 0.0684 0.0292 -0.0106 42 LEU c O +32649 C CB . LEU U 24 ? 0.9952 0.7406 0.6295 0.0656 0.0194 -0.0140 42 LEU c CB +32650 C CG . LEU U 24 ? 1.1056 0.8445 0.7353 0.0650 0.0148 -0.0164 42 LEU c CG +32651 C CD1 . LEU U 24 ? 1.0272 0.7676 0.6630 0.0648 0.0141 -0.0172 42 LEU c CD1 +32652 C CD2 . LEU U 24 ? 1.0734 0.8041 0.6913 0.0677 0.0155 -0.0181 42 LEU c CD2 +32653 N N . ILE U 25 ? 0.9486 0.7060 0.5906 0.0633 0.0252 -0.0083 43 ILE c N +32654 C CA . ILE U 25 ? 1.0485 0.8126 0.6966 0.0636 0.0299 -0.0063 43 ILE c CA +32655 C C . ILE U 25 ? 1.2752 1.0368 0.9160 0.0663 0.0346 -0.0059 43 ILE c C +32656 O O . ILE U 25 ? 1.1018 0.8672 0.7456 0.0680 0.0391 -0.0055 43 ILE c O +32657 C CB . ILE U 25 ? 1.0414 0.8108 0.6960 0.0605 0.0288 -0.0042 43 ILE c CB +32658 C CG1 . ILE U 25 ? 1.0979 0.8710 0.7612 0.0580 0.0251 -0.0044 43 ILE c CG1 +32659 C CG2 . ILE U 25 ? 0.8901 0.6657 0.5496 0.0607 0.0340 -0.0021 43 ILE c CG2 +32660 C CD1 . ILE U 25 ? 0.9644 0.7424 0.6340 0.0550 0.0236 -0.0025 43 ILE c CD1 +32661 N N . ASN U 26 ? 0.9648 0.7200 0.5957 0.0668 0.0336 -0.0063 44 ASN c N +32662 C CA . ASN U 26 ? 1.1587 0.9109 0.7818 0.0692 0.0379 -0.0059 44 ASN c CA +32663 C C . ASN U 26 ? 1.0869 0.8309 0.6993 0.0720 0.0374 -0.0082 44 ASN c C +32664 O O . ASN U 26 ? 1.1361 0.8754 0.7395 0.0736 0.0394 -0.0081 44 ASN c O +32665 C CB . ASN U 26 ? 1.1481 0.8993 0.7677 0.0678 0.0377 -0.0042 44 ASN c CB +32666 C CG . ASN U 26 ? 1.2096 0.9687 0.8388 0.0655 0.0395 -0.0018 44 ASN c CG +32667 O OD1 . ASN U 26 ? 1.2939 1.0586 0.9291 0.0660 0.0438 -0.0009 44 ASN c OD1 +32668 N ND2 . ASN U 26 ? 1.2829 1.0425 0.9138 0.0629 0.0360 -0.0008 44 ASN c ND2 +32669 N N . LEU U 27 ? 1.0462 0.7880 0.6591 0.0725 0.0348 -0.0102 45 LEU c N +32670 C CA . LEU U 27 ? 1.0759 0.8100 0.6793 0.0752 0.0344 -0.0125 45 LEU c CA +32671 C C . LEU U 27 ? 1.1284 0.8649 0.7357 0.0775 0.0375 -0.0133 45 LEU c C +32672 O O . LEU U 27 ? 1.0938 0.8291 0.7033 0.0775 0.0349 -0.0148 45 LEU c O +32673 C CB . LEU U 27 ? 1.0268 0.7554 0.6266 0.0739 0.0284 -0.0144 45 LEU c CB +32674 C CG . LEU U 27 ? 1.2496 0.9763 0.8461 0.0717 0.0250 -0.0137 45 LEU c CG +32675 C CD1 . LEU U 27 ? 1.0844 0.8062 0.6779 0.0704 0.0190 -0.0158 45 LEU c CD1 +32676 C CD2 . LEU U 27 ? 1.0857 0.8078 0.6721 0.0737 0.0276 -0.0133 45 LEU c CD2 +32677 N N . SER U 28 ? 1.1876 0.9273 0.7955 0.0795 0.0431 -0.0122 46 SER c N +32678 C CA . SER U 28 ? 1.0673 0.8112 0.6808 0.0816 0.0464 -0.0126 46 SER c CA +32679 C C . SER U 28 ? 1.2344 0.9719 0.8421 0.0842 0.0452 -0.0151 46 SER c C +32680 O O . SER U 28 ? 1.1257 0.8660 0.7389 0.0853 0.0459 -0.0158 46 SER c O +32681 C CB . SER U 28 ? 1.1846 0.9323 0.7984 0.0834 0.0527 -0.0112 46 SER c CB +32682 O OG . SER U 28 ? 1.1660 0.9073 0.7685 0.0854 0.0546 -0.0117 46 SER c OG +32683 N N . GLY U 29 ? 1.1504 0.8793 0.7470 0.0852 0.0434 -0.0167 47 GLY c N +32684 C CA . GLY U 29 ? 1.0149 0.7373 0.6055 0.0877 0.0424 -0.0192 47 GLY c CA +32685 C C . GLY U 29 ? 1.1404 0.8605 0.7334 0.0858 0.0370 -0.0206 47 GLY c C +32686 O O . GLY U 29 ? 1.0877 0.8069 0.6824 0.0873 0.0369 -0.0219 47 GLY c O +32687 N N . LYS U 30 ? 1.0932 0.8122 0.6861 0.0826 0.0325 -0.0204 48 LYS c N +32688 C CA . LYS U 30 ? 1.1603 0.8784 0.7571 0.0802 0.0275 -0.0214 48 LYS c CA +32689 C C . LYS U 30 ? 1.1853 0.9118 0.7946 0.0788 0.0282 -0.0201 48 LYS c C +32690 O O . LYS U 30 ? 0.9891 0.7151 0.6017 0.0784 0.0261 -0.0211 48 LYS c O +32691 C CB . LYS U 30 ? 1.1716 0.8876 0.7662 0.0771 0.0228 -0.0214 48 LYS c CB +32692 C CG . LYS U 30 ? 1.1475 0.8542 0.7299 0.0780 0.0205 -0.0234 48 LYS c CG +32693 C CD . LYS U 30 ? 1.2857 0.9894 0.8681 0.0750 0.0143 -0.0248 48 LYS c CD +32694 C CE . LYS U 30 ? 1.1499 0.8454 0.7212 0.0753 0.0112 -0.0266 48 LYS c CE +32695 N NZ . LYS U 30 ? 1.2200 0.9087 0.7808 0.0790 0.0139 -0.0280 48 LYS c NZ +32696 N N . LEU U 31 ? 1.0715 0.8056 0.6875 0.0779 0.0310 -0.0177 49 LEU c N +32697 C CA . LEU U 31 ? 1.0926 0.8347 0.7203 0.0767 0.0317 -0.0164 49 LEU c CA +32698 C C . LEU U 31 ? 1.1645 0.9075 0.7940 0.0798 0.0346 -0.0173 49 LEU c C +32699 O O . LEU U 31 ? 1.0924 0.8384 0.7288 0.0792 0.0334 -0.0174 49 LEU c O +32700 C CB . LEU U 31 ? 0.9582 0.7078 0.5919 0.0754 0.0345 -0.0139 49 LEU c CB +32701 C CG . LEU U 31 ? 0.9945 0.7529 0.6407 0.0736 0.0349 -0.0123 49 LEU c CG +32702 C CD1 . LEU U 31 ? 0.9586 0.7168 0.6089 0.0707 0.0297 -0.0129 49 LEU c CD1 +32703 C CD2 . LEU U 31 ? 0.8711 0.6358 0.5220 0.0719 0.0371 -0.0100 49 LEU c CD2 +32704 N N . LEU U 32 ? 1.1338 0.8739 0.7567 0.0833 0.0383 -0.0179 50 LEU c N +32705 C CA . LEU U 32 ? 1.0801 0.8200 0.7035 0.0866 0.0409 -0.0190 50 LEU c CA +32706 C C . LEU U 32 ? 1.0926 0.8258 0.7125 0.0869 0.0370 -0.0212 50 LEU c C +32707 O O . LEU U 32 ? 1.0725 0.8073 0.6972 0.0878 0.0370 -0.0217 50 LEU c O +32708 C CB . LEU U 32 ? 1.1777 0.9151 0.7939 0.0903 0.0455 -0.0195 50 LEU c CB +32709 C CG . LEU U 32 ? 1.3429 1.0797 0.9586 0.0943 0.0483 -0.0208 50 LEU c CG +32710 C CD1 . LEU U 32 ? 1.1403 0.8867 0.7677 0.0944 0.0508 -0.0194 50 LEU c CD1 +32711 C CD2 . LEU U 32 ? 1.2182 0.9513 0.8252 0.0978 0.0526 -0.0214 50 LEU c CD2 +32712 N N . GLY U 33 ? 1.0344 0.7597 0.6457 0.0860 0.0337 -0.0226 51 GLY c N +32713 C CA . GLY U 33 ? 1.1333 0.8521 0.7412 0.0858 0.0298 -0.0248 51 GLY c CA +32714 C C . GLY U 33 ? 1.0586 0.7811 0.6753 0.0825 0.0264 -0.0243 51 GLY c C +32715 O O . GLY U 33 ? 1.0951 0.8153 0.7130 0.0829 0.0250 -0.0254 51 GLY c O +32716 N N . ALA U 34 ? 1.1253 0.8533 0.7480 0.0792 0.0250 -0.0225 52 ALA c N +32717 C CA . ALA U 34 ? 1.1638 0.8959 0.7952 0.0760 0.0220 -0.0219 52 ALA c CA +32718 C C . ALA U 34 ? 1.0091 0.7465 0.6483 0.0775 0.0244 -0.0212 52 ALA c C +32719 O O . ALA U 34 ? 1.0227 0.7589 0.6647 0.0769 0.0223 -0.0220 52 ALA c O +32720 C CB . ALA U 34 ? 0.9322 0.6699 0.5689 0.0727 0.0209 -0.0199 52 ALA c CB +32721 N N . HIS U 35 ? 0.9708 0.7139 0.6132 0.0796 0.0290 -0.0199 53 HIS c N +32722 C CA . HIS U 35 ? 0.9732 0.7221 0.6234 0.0812 0.0314 -0.0192 53 HIS c CA +32723 C C . HIS U 35 ? 0.9927 0.7364 0.6387 0.0846 0.0319 -0.0211 53 HIS c C +32724 O O . HIS U 35 ? 1.0653 0.8106 0.7165 0.0848 0.0311 -0.0212 53 HIS c O +32725 C CB . HIS U 35 ? 0.8840 0.6403 0.5383 0.0825 0.0362 -0.0175 53 HIS c CB +32726 C CG . HIS U 35 ? 1.1043 0.8675 0.7657 0.0791 0.0357 -0.0154 53 HIS c CG +32727 N ND1 . HIS U 35 ? 1.0974 0.8612 0.7561 0.0781 0.0369 -0.0143 53 HIS c ND1 +32728 C CD2 . HIS U 35 ? 1.0899 0.8591 0.7607 0.0764 0.0341 -0.0141 53 HIS c CD2 +32729 C CE1 . HIS U 35 ? 1.0558 0.8258 0.7220 0.0750 0.0361 -0.0125 53 HIS c CE1 +32730 N NE2 . HIS U 35 ? 1.1051 0.8786 0.7789 0.0739 0.0344 -0.0124 53 HIS c NE2 +32731 N N . VAL U 36 ? 1.0971 0.8340 0.7333 0.0873 0.0332 -0.0226 54 VAL c N +32732 C CA . VAL U 36 ? 1.0316 0.7634 0.6634 0.0910 0.0342 -0.0244 54 VAL c CA +32733 C C . VAL U 36 ? 1.0839 0.8086 0.7128 0.0894 0.0296 -0.0261 54 VAL c C +32734 O O . VAL U 36 ? 1.0026 0.7259 0.6329 0.0911 0.0294 -0.0269 54 VAL c O +32735 C CB . VAL U 36 ? 1.0446 0.7713 0.6667 0.0944 0.0372 -0.0256 54 VAL c CB +32736 C CG1 . VAL U 36 ? 1.0099 0.7303 0.6267 0.0982 0.0378 -0.0276 54 VAL c CG1 +32737 C CG2 . VAL U 36 ? 0.9563 0.6905 0.5822 0.0960 0.0422 -0.0239 54 VAL c CG2 +32738 N N . ALA U 37 ? 1.0920 0.8124 0.7169 0.0863 0.0259 -0.0266 55 ALA c N +32739 C CA . ALA U 37 ? 1.0773 0.7918 0.7005 0.0841 0.0214 -0.0281 55 ALA c CA +32740 C C . ALA U 37 ? 1.1263 0.8465 0.7596 0.0819 0.0200 -0.0269 55 ALA c C +32741 O O . ALA U 37 ? 1.0426 0.7590 0.6760 0.0818 0.0181 -0.0279 55 ALA c O +32742 C CB . ALA U 37 ? 0.9770 0.6871 0.5951 0.0810 0.0177 -0.0288 55 ALA c CB +32743 N N . HIS U 38 ? 1.0723 0.8013 0.7141 0.0799 0.0208 -0.0247 56 HIS c N +32744 C CA . HIS U 38 ? 1.0989 0.8336 0.7503 0.0779 0.0196 -0.0235 56 HIS c CA +32745 C C . HIS U 38 ? 1.0610 0.7978 0.7158 0.0813 0.0223 -0.0235 56 HIS c C +32746 O O . HIS U 38 ? 0.9885 0.7246 0.6465 0.0808 0.0206 -0.0237 56 HIS c O +32747 C CB . HIS U 38 ? 1.0251 0.7686 0.6844 0.0753 0.0201 -0.0212 56 HIS c CB +32748 C CG . HIS U 38 ? 1.1012 0.8508 0.7705 0.0731 0.0189 -0.0199 56 HIS c CG +32749 N ND1 . HIS U 38 ? 1.0361 0.7926 0.7126 0.0748 0.0217 -0.0187 56 HIS c ND1 +32750 C CD2 . HIS U 38 ? 0.8885 0.6382 0.5614 0.0695 0.0152 -0.0198 56 HIS c CD2 +32751 C CE1 . HIS U 38 ? 1.0293 0.7896 0.7132 0.0724 0.0197 -0.0178 56 HIS c CE1 +32752 N NE2 . HIS U 38 ? 0.9644 0.7207 0.6464 0.0691 0.0159 -0.0184 56 HIS c NE2 +32753 N N . ALA U 39 ? 0.9911 0.7306 0.6450 0.0849 0.0265 -0.0232 57 ALA c N +32754 C CA . ALA U 39 ? 0.9990 0.7402 0.6555 0.0886 0.0290 -0.0234 57 ALA c CA +32755 C C . ALA U 39 ? 1.0968 0.8288 0.7466 0.0904 0.0272 -0.0255 57 ALA c C +32756 O O . ALA U 39 ? 1.0503 0.7826 0.7033 0.0918 0.0271 -0.0257 57 ALA c O +32757 C CB . ALA U 39 ? 0.9569 0.7017 0.6126 0.0923 0.0338 -0.0231 57 ALA c CB +32758 N N . GLY U 40 ? 1.0879 0.8113 0.7281 0.0902 0.0257 -0.0272 58 GLY c N +32759 C CA . GLY U 40 ? 1.0553 0.7693 0.6888 0.0913 0.0236 -0.0293 58 GLY c CA +32760 C C . GLY U 40 ? 1.1713 0.8843 0.8089 0.0879 0.0199 -0.0292 58 GLY c C +32761 O O . GLY U 40 ? 1.1272 0.8359 0.7637 0.0894 0.0192 -0.0301 58 GLY c O +32762 N N . LEU U 41 ? 0.9953 0.7119 0.6375 0.0835 0.0174 -0.0281 59 LEU c N +32763 C CA . LEU U 41 ? 1.0062 0.7227 0.6531 0.0800 0.0140 -0.0279 59 LEU c CA +32764 C C . LEU U 41 ? 0.9852 0.7071 0.6398 0.0815 0.0154 -0.0267 59 LEU c C +32765 O O . LEU U 41 ? 0.9423 0.6604 0.5969 0.0813 0.0138 -0.0274 59 LEU c O +32766 C CB . LEU U 41 ? 1.0086 0.7295 0.6600 0.0754 0.0116 -0.0268 59 LEU c CB +32767 C CG . LEU U 41 ? 1.1402 0.8551 0.7845 0.0731 0.0089 -0.0282 59 LEU c CG +32768 C CD1 . LEU U 41 ? 1.1034 0.8241 0.7531 0.0690 0.0070 -0.0268 59 LEU c CD1 +32769 C CD2 . LEU U 41 ? 1.0163 0.7220 0.6549 0.0720 0.0058 -0.0303 59 LEU c CD2 +32770 N N . ILE U 42 ? 0.9486 0.6793 0.6097 0.0829 0.0185 -0.0250 60 ILE c N +32771 C CA . ILE U 42 ? 1.0835 0.8199 0.7521 0.0844 0.0198 -0.0239 60 ILE c CA +32772 C C . ILE U 42 ? 1.0509 0.7818 0.7150 0.0887 0.0209 -0.0253 60 ILE c C +32773 O O . ILE U 42 ? 1.0823 0.8112 0.7481 0.0887 0.0195 -0.0255 60 ILE c O +32774 C CB . ILE U 42 ? 0.9391 0.6857 0.6147 0.0854 0.0231 -0.0221 60 ILE c CB +32775 C CG1 . ILE U 42 ? 0.9975 0.7494 0.6777 0.0811 0.0219 -0.0207 60 ILE c CG1 +32776 C CG2 . ILE U 42 ? 0.9008 0.6533 0.5840 0.0874 0.0245 -0.0212 60 ILE c CG2 +32777 C CD1 . ILE U 42 ? 0.8939 0.6555 0.5810 0.0817 0.0251 -0.0189 60 ILE c CD1 +32778 N N . VAL U 43 ? 1.1644 0.8923 0.8222 0.0924 0.0235 -0.0264 61 VAL c N +32779 C CA . VAL U 43 ? 0.9786 0.7009 0.6314 0.0969 0.0248 -0.0278 61 VAL c CA +32780 C C . VAL U 43 ? 1.0220 0.7338 0.6681 0.0957 0.0215 -0.0295 61 VAL c C +32781 O O . VAL U 43 ? 0.9516 0.6597 0.5969 0.0978 0.0212 -0.0301 61 VAL c O +32782 C CB . VAL U 43 ? 1.1849 0.9060 0.8318 0.1007 0.0283 -0.0287 61 VAL c CB +32783 C CG1 . VAL U 43 ? 1.2722 0.9877 0.9139 0.1057 0.0298 -0.0302 61 VAL c CG1 +32784 C CG2 . VAL U 43 ? 1.0605 0.7925 0.7149 0.1016 0.0317 -0.0269 61 VAL c CG2 +32785 N N . PHE U 44 ? 1.0291 0.7359 0.6704 0.0922 0.0188 -0.0303 62 PHE c N +32786 C CA . PHE U 44 ? 1.0196 0.7168 0.6552 0.0904 0.0155 -0.0319 62 PHE c CA +32787 C C . PHE U 44 ? 1.1076 0.8064 0.7495 0.0883 0.0135 -0.0310 62 PHE c C +32788 O O . PHE U 44 ? 1.1721 0.8645 0.8108 0.0897 0.0128 -0.0320 62 PHE c O +32789 C CB . PHE U 44 ? 0.9791 0.6725 0.6104 0.0863 0.0127 -0.0327 62 PHE c CB +32790 C CG . PHE U 44 ? 1.0880 0.7715 0.7131 0.0843 0.0093 -0.0346 62 PHE c CG +32791 C CD1 . PHE U 44 ? 1.2067 0.8901 0.8362 0.0805 0.0064 -0.0342 62 PHE c CD1 +32792 C CD2 . PHE U 44 ? 1.2836 0.9576 0.8982 0.0860 0.0090 -0.0368 62 PHE c CD2 +32793 C CE1 . PHE U 44 ? 1.1172 0.7913 0.7410 0.0783 0.0034 -0.0360 62 PHE c CE1 +32794 C CE2 . PHE U 44 ? 1.2716 0.9364 0.8806 0.0838 0.0059 -0.0387 62 PHE c CE2 +32795 C CZ . PHE U 44 ? 1.1849 0.8498 0.7986 0.0799 0.0031 -0.0382 62 PHE c CZ +32796 N N . TRP U 45 ? 1.1374 0.8444 0.7880 0.0850 0.0128 -0.0292 63 TRP c N +32797 C CA . TRP U 45 ? 1.0290 0.7377 0.6856 0.0827 0.0109 -0.0283 63 TRP c CA +32798 C C . TRP U 45 ? 0.9539 0.6636 0.6127 0.0867 0.0127 -0.0280 63 TRP c C +32799 O O . TRP U 45 ? 0.9313 0.6354 0.5883 0.0867 0.0112 -0.0285 63 TRP c O +32800 C CB . TRP U 45 ? 1.0252 0.7435 0.6910 0.0789 0.0102 -0.0263 63 TRP c CB +32801 C CG . TRP U 45 ? 0.9753 0.6954 0.6473 0.0766 0.0084 -0.0253 63 TRP c CG +32802 C CD1 . TRP U 45 ? 0.9710 0.6865 0.6422 0.0727 0.0051 -0.0258 63 TRP c CD1 +32803 C CD2 . TRP U 45 ? 0.8174 0.5441 0.4968 0.0783 0.0098 -0.0238 63 TRP c CD2 +32804 N NE1 . TRP U 45 ? 0.9053 0.6239 0.5827 0.0718 0.0045 -0.0246 63 TRP c NE1 +32805 C CE2 . TRP U 45 ? 1.0373 0.7628 0.7198 0.0752 0.0072 -0.0234 63 TRP c CE2 +32806 C CE3 . TRP U 45 ? 0.9790 0.7126 0.6628 0.0820 0.0129 -0.0228 63 TRP c CE3 +32807 C CZ2 . TRP U 45 ? 0.8482 0.5788 0.5376 0.0759 0.0076 -0.0220 63 TRP c CZ2 +32808 C CZ3 . TRP U 45 ? 0.8823 0.6214 0.5733 0.0826 0.0132 -0.0215 63 TRP c CZ3 +32809 C CH2 . TRP U 45 ? 0.9217 0.6590 0.6151 0.0796 0.0105 -0.0211 63 TRP c CH2 +32810 N N . ALA U 46 ? 0.9056 0.6222 0.5681 0.0903 0.0161 -0.0271 64 ALA c N +32811 C CA . ALA U 46 ? 0.9637 0.6821 0.6287 0.0945 0.0178 -0.0268 64 ALA c CA +32812 C C . ALA U 46 ? 1.0972 0.8050 0.7535 0.0976 0.0175 -0.0287 64 ALA c C +32813 O O . ALA U 46 ? 1.1393 0.8447 0.7964 0.0989 0.0168 -0.0287 64 ALA c O +32814 C CB . ALA U 46 ? 1.0146 0.7412 0.6835 0.0981 0.0217 -0.0260 64 ALA c CB +32815 N N . GLY U 47 ? 1.1348 0.8356 0.7823 0.0988 0.0179 -0.0304 65 GLY c N +32816 C CA . GLY U 47 ? 0.9275 0.6175 0.5660 0.1016 0.0176 -0.0324 65 GLY c CA +32817 C C . GLY U 47 ? 0.9906 0.6722 0.6254 0.0980 0.0140 -0.0332 65 GLY c C +32818 O O . GLY U 47 ? 1.0907 0.7670 0.7236 0.0996 0.0134 -0.0336 65 GLY c O +32819 N N . ALA U 48 ? 1.0198 0.6997 0.6534 0.0931 0.0115 -0.0335 66 ALA c N +32820 C CA . ALA U 48 ? 0.9676 0.6398 0.5981 0.0894 0.0081 -0.0344 66 ALA c CA +32821 C C . ALA U 48 ? 1.1577 0.8333 0.7954 0.0877 0.0071 -0.0329 66 ALA c C +32822 O O . ALA U 48 ? 1.0247 0.6928 0.6591 0.0868 0.0053 -0.0336 66 ALA c O +32823 C CB . ALA U 48 ? 1.1121 0.7835 0.7414 0.0844 0.0057 -0.0349 66 ALA c CB +32824 N N . MET U 49 ? 1.1258 0.8122 0.7730 0.0872 0.0081 -0.0308 67 MET c N +32825 C CA . MET U 49 ? 1.1045 0.7941 0.7583 0.0854 0.0069 -0.0294 67 MET c CA +32826 C C . MET U 49 ? 1.0955 0.7824 0.7482 0.0900 0.0082 -0.0294 67 MET c C +32827 O O . MET U 49 ? 1.0494 0.7318 0.7017 0.0889 0.0066 -0.0293 67 MET c O +32828 C CB . MET U 49 ? 1.0258 0.7277 0.6898 0.0837 0.0076 -0.0272 67 MET c CB +32829 C CG . MET U 49 ? 0.9344 0.6399 0.6055 0.0804 0.0058 -0.0258 67 MET c CG +32830 S SD . MET U 49 ? 1.0189 0.7185 0.6880 0.0739 0.0020 -0.0264 67 MET c SD +32831 C CE . MET U 49 ? 0.8806 0.5713 0.5460 0.0748 0.0009 -0.0270 67 MET c CE +32832 N N . THR U 50 ? 1.0233 0.7128 0.6753 0.0952 0.0111 -0.0296 68 THR c N +32833 C CA . THR U 50 ? 1.0497 0.7363 0.7000 0.1001 0.0123 -0.0298 68 THR c CA +32834 C C . THR U 50 ? 1.1480 0.8215 0.7886 0.1008 0.0109 -0.0316 68 THR c C +32835 O O . THR U 50 ? 1.1669 0.8363 0.8069 0.1021 0.0102 -0.0315 68 THR c O +32836 C CB . THR U 50 ? 1.0222 0.7133 0.6727 0.1055 0.0157 -0.0300 68 THR c CB +32837 O OG1 . THR U 50 ? 0.9962 0.6995 0.6559 0.1047 0.0171 -0.0283 68 THR c OG1 +32838 C CG2 . THR U 50 ? 1.0724 0.7608 0.7213 0.1109 0.0169 -0.0304 68 THR c CG2 +32839 N N . LEU U 51 ? 1.0590 0.7254 0.6918 0.1001 0.0104 -0.0334 69 LEU c N +32840 C CA . LEU U 51 ? 1.3627 1.0162 0.9860 0.1004 0.0090 -0.0352 69 LEU c CA +32841 C C . LEU U 51 ? 1.1191 0.7686 0.7433 0.0954 0.0060 -0.0349 69 LEU c C +32842 O O . LEU U 51 ? 1.0875 0.7281 0.7066 0.0961 0.0050 -0.0357 69 LEU c O +32843 C CB . LEU U 51 ? 1.0639 0.7110 0.6788 0.1003 0.0089 -0.0372 69 LEU c CB +32844 C CG . LEU U 51 ? 1.1482 0.7967 0.7600 0.1059 0.0121 -0.0379 69 LEU c CG +32845 C CD1 . LEU U 51 ? 1.0424 0.6843 0.6456 0.1053 0.0118 -0.0398 69 LEU c CD1 +32846 C CD2 . LEU U 51 ? 1.1788 0.8227 0.7874 0.1115 0.0136 -0.0384 69 LEU c CD2 +32847 N N . PHE U 52 ? 1.0783 0.7338 0.7084 0.0902 0.0045 -0.0339 70 PHE c N +32848 C CA . PHE U 52 ? 1.1279 0.7811 0.7602 0.0853 0.0018 -0.0334 70 PHE c CA +32849 C C . PHE U 52 ? 0.9629 0.6184 0.5998 0.0870 0.0022 -0.0319 70 PHE c C +32850 O O . PHE U 52 ? 0.9479 0.5957 0.5814 0.0862 0.0009 -0.0323 70 PHE c O +32851 C CB . PHE U 52 ? 1.0674 0.7282 0.7062 0.0800 0.0004 -0.0325 70 PHE c CB +32852 C CG . PHE U 52 ? 1.1294 0.7879 0.7702 0.0745 -0.0023 -0.0322 70 PHE c CG +32853 C CD1 . PHE U 52 ? 0.9860 0.6494 0.6339 0.0734 -0.0026 -0.0304 70 PHE c CD1 +32854 C CD2 . PHE U 52 ? 0.9209 0.5727 0.5567 0.0704 -0.0046 -0.0338 70 PHE c CD2 +32855 C CE1 . PHE U 52 ? 0.9463 0.6077 0.5960 0.0683 -0.0049 -0.0302 70 PHE c CE1 +32856 C CE2 . PHE U 52 ? 1.0266 0.6768 0.6647 0.0652 -0.0070 -0.0337 70 PHE c CE2 +32857 C CZ . PHE U 52 ? 1.1381 0.7930 0.7831 0.0642 -0.0070 -0.0318 70 PHE c CZ +32858 N N . GLU U 53 ? 0.9978 0.6637 0.6423 0.0895 0.0041 -0.0303 71 GLU c N +32859 C CA . GLU U 53 ? 1.0573 0.7263 0.7067 0.0913 0.0044 -0.0289 71 GLU c CA +32860 C C . GLU U 53 ? 1.0968 0.7567 0.7390 0.0960 0.0050 -0.0299 71 GLU c C +32861 O O . GLU U 53 ? 1.0799 0.7345 0.7208 0.0955 0.0038 -0.0296 71 GLU c O +32862 C CB . GLU U 53 ? 0.9933 0.6749 0.6515 0.0936 0.0064 -0.0272 71 GLU c CB +32863 C CG . GLU U 53 ? 0.9957 0.6867 0.6625 0.0888 0.0056 -0.0257 71 GLU c CG +32864 C CD . GLU U 53 ? 1.0174 0.7202 0.6931 0.0911 0.0074 -0.0240 71 GLU c CD +32865 O OE1 . GLU U 53 ? 1.0127 0.7165 0.6882 0.0963 0.0093 -0.0241 71 GLU c OE1 +32866 O OE2 . GLU U 53 ? 0.9735 0.6846 0.6564 0.0877 0.0071 -0.0227 71 GLU c OE2 +32867 N N . LEU U 54 ? 1.1255 0.7829 0.7626 0.1007 0.0069 -0.0311 72 LEU c N +32868 C CA . LEU U 54 ? 1.1536 0.8019 0.7833 0.1055 0.0075 -0.0322 72 LEU c CA +32869 C C . LEU U 54 ? 1.0331 0.6685 0.6547 0.1027 0.0053 -0.0335 72 LEU c C +32870 O O . LEU U 54 ? 1.0837 0.7128 0.7024 0.1043 0.0047 -0.0335 72 LEU c O +32871 C CB . LEU U 54 ? 1.1754 0.8230 0.8006 0.1105 0.0099 -0.0336 72 LEU c CB +32872 C CG . LEU U 54 ? 1.3008 0.9394 0.9186 0.1161 0.0107 -0.0347 72 LEU c CG +32873 C CD1 . LEU U 54 ? 1.1829 0.8251 0.8057 0.1190 0.0109 -0.0333 72 LEU c CD1 +32874 C CD2 . LEU U 54 ? 1.2415 0.8803 0.8553 0.1212 0.0133 -0.0360 72 LEU c CD2 +32875 N N . ALA U 55 ? 1.0854 0.7169 0.7033 0.0985 0.0039 -0.0347 73 ALA c N +32876 C CA . ALA U 55 ? 1.1306 0.7500 0.7410 0.0953 0.0018 -0.0361 73 ALA c CA +32877 C C . ALA U 55 ? 1.1588 0.7775 0.7728 0.0917 0.0001 -0.0348 73 ALA c C +32878 O O . ALA U 55 ? 1.2372 0.8455 0.8451 0.0910 -0.0010 -0.0355 73 ALA c O +32879 C CB . ALA U 55 ? 1.1802 0.7973 0.7876 0.0909 0.0004 -0.0374 73 ALA c CB +32880 N N . HIS U 56 ? 1.2603 0.8897 0.8840 0.0892 -0.0001 -0.0329 74 HIS c N +32881 C CA . HIS U 56 ? 1.1763 0.8060 0.8040 0.0856 -0.0017 -0.0316 74 HIS c CA +32882 C C . HIS U 56 ? 1.2033 0.8363 0.8347 0.0897 -0.0006 -0.0300 74 HIS c C +32883 O O . HIS U 56 ? 1.5000 1.1338 1.1350 0.0872 -0.0017 -0.0287 74 HIS c O +32884 C CB . HIS U 56 ? 1.1059 0.7447 0.7417 0.0801 -0.0028 -0.0305 74 HIS c CB +32885 C CG . HIS U 56 ? 1.2387 0.8735 0.8710 0.0754 -0.0044 -0.0320 74 HIS c CG +32886 N ND1 . HIS U 56 ? 1.0484 0.6812 0.6820 0.0694 -0.0066 -0.0320 74 HIS c ND1 +32887 C CD2 . HIS U 56 ? 0.9865 0.6188 0.6139 0.0759 -0.0043 -0.0337 74 HIS c CD2 +32888 C CE1 . HIS U 56 ? 1.0266 0.6560 0.6565 0.0664 -0.0078 -0.0336 74 HIS c CE1 +32889 N NE2 . HIS U 56 ? 1.0561 0.6851 0.6820 0.0703 -0.0065 -0.0346 74 HIS c NE2 +32890 N N . PHE U 57 ? 1.2202 0.8550 0.8506 0.0959 0.0014 -0.0301 75 PHE c N +32891 C CA . PHE U 57 ? 1.1389 0.7781 0.7735 0.1002 0.0024 -0.0288 75 PHE c CA +32892 C C . PHE U 57 ? 1.2236 0.8514 0.8509 0.1024 0.0018 -0.0292 75 PHE c C +32893 O O . PHE U 57 ? 1.1475 0.7653 0.7658 0.1050 0.0021 -0.0309 75 PHE c O +32894 C CB . PHE U 57 ? 1.0842 0.7300 0.7207 0.1059 0.0049 -0.0289 75 PHE c CB +32895 C CG . PHE U 57 ? 1.1981 0.8511 0.8405 0.1103 0.0059 -0.0275 75 PHE c CG +32896 C CD1 . PHE U 57 ? 1.1410 0.8021 0.7919 0.1078 0.0052 -0.0256 75 PHE c CD1 +32897 C CD2 . PHE U 57 ? 1.3065 0.9585 0.9461 0.1170 0.0077 -0.0282 75 PHE c CD2 +32898 C CE1 . PHE U 57 ? 1.1886 0.8567 0.8452 0.1118 0.0060 -0.0244 75 PHE c CE1 +32899 C CE2 . PHE U 57 ? 1.3918 1.0510 1.0373 0.1212 0.0086 -0.0270 75 PHE c CE2 +32900 C CZ . PHE U 57 ? 1.1422 0.8094 0.7962 0.1185 0.0077 -0.0251 75 PHE c CZ +32901 N N . ILE U 58 ? 1.0943 0.7232 0.7252 0.1015 0.0009 -0.0277 76 ILE c N +32902 C CA . ILE U 58 ? 1.0346 0.6546 0.6601 0.1046 0.0006 -0.0276 76 ILE c CA +32903 C C . ILE U 58 ? 1.1345 0.7626 0.7656 0.1100 0.0018 -0.0263 76 ILE c C +32904 O O . ILE U 58 ? 1.2500 0.8873 0.8896 0.1084 0.0014 -0.0246 76 ILE c O +32905 C CB . ILE U 58 ? 1.2661 0.8806 0.8907 0.0994 -0.0013 -0.0268 76 ILE c CB +32906 C CG1 . ILE U 58 ? 1.3443 0.9496 0.9625 0.0944 -0.0025 -0.0284 76 ILE c CG1 +32907 C CG2 . ILE U 58 ? 1.2025 0.8098 0.8230 0.1029 -0.0015 -0.0262 76 ILE c CG2 +32908 C CD1 . ILE U 58 ? 1.3629 0.9660 0.9827 0.0879 -0.0042 -0.0277 76 ILE c CD1 +32909 N N . PRO U 59 ? 1.4518 1.0771 1.0787 0.1166 0.0031 -0.0271 77 PRO c N +32910 C CA . PRO U 59 ? 1.2486 0.8837 0.8820 0.1219 0.0045 -0.0261 77 PRO c CA +32911 C C . PRO U 59 ? 1.2662 0.9027 0.9029 0.1229 0.0035 -0.0245 77 PRO c C +32912 O O . PRO U 59 ? 1.2156 0.8627 0.8601 0.1256 0.0042 -0.0234 77 PRO c O +32913 C CB . PRO U 59 ? 1.2774 0.9071 0.9040 0.1286 0.0060 -0.0277 77 PRO c CB +32914 C CG . PRO U 59 ? 1.2611 0.8812 0.8794 0.1260 0.0058 -0.0295 77 PRO c CG +32915 C CD . PRO U 59 ? 1.2162 0.8299 0.8326 0.1195 0.0036 -0.0291 77 PRO c CD +32916 N N . GLU U 60 ? 1.0579 0.6840 0.6889 0.1210 0.0019 -0.0243 78 GLU c N +32917 C CA . GLU U 60 ? 1.1706 0.7983 0.8047 0.1222 0.0011 -0.0227 78 GLU c CA +32918 C C . GLU U 60 ? 1.1777 0.8132 0.8200 0.1163 0.0000 -0.0210 78 GLU c C +32919 O O . GLU U 60 ? 1.4015 1.0395 1.0472 0.1169 -0.0008 -0.0196 78 GLU c O +32920 C CB . GLU U 60 ? 1.1356 0.7487 0.7598 0.1235 0.0001 -0.0230 78 GLU c CB +32921 C CG . GLU U 60 ? 1.4549 1.0570 1.0722 0.1178 -0.0009 -0.0239 78 GLU c CG +32922 C CD . GLU U 60 ? 1.6217 1.2132 1.2292 0.1200 -0.0003 -0.0260 78 GLU c CD +32923 O OE1 . GLU U 60 ? 1.3200 0.9158 0.9280 0.1241 0.0012 -0.0270 78 GLU c OE1 +32924 O OE2 . GLU U 60 ? 1.8613 1.4400 1.4603 0.1178 -0.0011 -0.0267 78 GLU c OE2 +32925 N N . LYS U 61 ? 1.1410 0.7806 0.7867 0.1103 -0.0002 -0.0212 79 LYS c N +32926 C CA . LYS U 61 ? 1.1542 0.8037 0.8091 0.1056 -0.0009 -0.0197 79 LYS c CA +32927 C C . LYS U 61 ? 1.1205 0.7839 0.7843 0.1079 0.0004 -0.0191 79 LYS c C +32928 O O . LYS U 61 ? 1.1249 0.7905 0.7879 0.1108 0.0019 -0.0202 79 LYS c O +32929 C CB . LYS U 61 ? 1.0337 0.6814 0.6883 0.0986 -0.0018 -0.0201 79 LYS c CB +32930 C CG . LYS U 61 ? 1.2557 0.8929 0.9048 0.0945 -0.0033 -0.0201 79 LYS c CG +32931 C CD . LYS U 61 ? 1.1336 0.7686 0.7817 0.0881 -0.0041 -0.0210 79 LYS c CD +32932 C CE . LYS U 61 ? 1.2069 0.8515 0.8641 0.0830 -0.0049 -0.0196 79 LYS c CE +32933 N NZ . LYS U 61 ? 1.3206 0.9619 0.9765 0.0765 -0.0060 -0.0204 79 LYS c NZ +32934 N N . PRO U 62 ? 1.1077 0.7806 0.7800 0.1066 0.0000 -0.0174 80 PRO c N +32935 C CA . PRO U 62 ? 1.0802 0.7666 0.7616 0.1074 0.0012 -0.0169 80 PRO c CA +32936 C C . PRO U 62 ? 1.0617 0.7504 0.7438 0.1034 0.0017 -0.0176 80 PRO c C +32937 O O . PRO U 62 ? 0.9831 0.6661 0.6621 0.0984 0.0005 -0.0180 80 PRO c O +32938 C CB . PRO U 62 ? 1.0689 0.7630 0.7583 0.1050 0.0002 -0.0150 80 PRO c CB +32939 C CG . PRO U 62 ? 1.1404 0.8249 0.8244 0.1050 -0.0012 -0.0146 80 PRO c CG +32940 C CD . PRO U 62 ? 1.1263 0.7978 0.8003 0.1036 -0.0015 -0.0160 80 PRO c CD +32941 N N . MET U 63 ? 0.9729 0.6695 0.6588 0.1059 0.0034 -0.0180 81 MET c N +32942 C CA . MET U 63 ? 1.0324 0.7320 0.7193 0.1025 0.0040 -0.0186 81 MET c CA +32943 C C . MET U 63 ? 1.1796 0.8839 0.8721 0.0961 0.0026 -0.0174 81 MET c C +32944 O O . MET U 63 ? 0.9700 0.6706 0.6600 0.0916 0.0018 -0.0180 81 MET c O +32945 C CB . MET U 63 ? 1.0166 0.7258 0.7082 0.1060 0.0063 -0.0187 81 MET c CB +32946 C CG . MET U 63 ? 1.0444 0.7490 0.7299 0.1118 0.0079 -0.0202 81 MET c CG +32947 S SD . MET U 63 ? 1.0674 0.7849 0.7600 0.1156 0.0108 -0.0201 81 MET c SD +32948 C CE . MET U 63 ? 1.1010 0.8113 0.7857 0.1230 0.0124 -0.0218 81 MET c CE +32949 N N . TYR U 64 ? 1.0551 0.7679 0.7556 0.0956 0.0024 -0.0158 82 TYR c N +32950 C CA . TYR U 64 ? 0.9322 0.6510 0.6391 0.0900 0.0013 -0.0146 82 TYR c CA +32951 C C . TYR U 64 ? 0.9785 0.6890 0.6815 0.0853 -0.0007 -0.0146 82 TYR c C +32952 O O . TYR U 64 ? 0.9816 0.6959 0.6889 0.0802 -0.0016 -0.0139 82 TYR c O +32953 C CB . TYR U 64 ? 0.9226 0.6518 0.6384 0.0910 0.0015 -0.0130 82 TYR c CB +32954 C CG . TYR U 64 ? 0.9967 0.7231 0.7115 0.0946 0.0009 -0.0125 82 TYR c CG +32955 C CD1 . TYR U 64 ? 0.9238 0.6439 0.6362 0.0921 -0.0008 -0.0119 82 TYR c CD1 +32956 C CD2 . TYR U 64 ? 0.8725 0.6030 0.5890 0.1005 0.0022 -0.0126 82 TYR c CD2 +32957 C CE1 . TYR U 64 ? 0.9122 0.6297 0.6234 0.0954 -0.0014 -0.0113 82 TYR c CE1 +32958 C CE2 . TYR U 64 ? 0.9270 0.6552 0.6425 0.1040 0.0015 -0.0121 82 TYR c CE2 +32959 C CZ . TYR U 64 ? 0.9675 0.6890 0.6802 0.1015 -0.0003 -0.0114 82 TYR c CZ +32960 O OH . TYR U 64 ? 0.9734 0.6923 0.6848 0.1051 -0.0010 -0.0109 82 TYR c OH +32961 N N . GLU U 65 ? 0.9234 0.6228 0.6183 0.0868 -0.0012 -0.0154 83 GLU c N +32962 C CA . GLU U 65 ? 0.9427 0.6335 0.6332 0.0821 -0.0029 -0.0156 83 GLU c CA +32963 C C . GLU U 65 ? 0.9552 0.6396 0.6398 0.0796 -0.0031 -0.0173 83 GLU c C +32964 O O . GLU U 65 ? 1.0775 0.7542 0.7580 0.0756 -0.0045 -0.0178 83 GLU c O +32965 C CB . GLU U 65 ? 1.0648 0.7459 0.7491 0.0845 -0.0034 -0.0156 83 GLU c CB +32966 C CG . GLU U 65 ? 1.0139 0.6997 0.7031 0.0863 -0.0037 -0.0139 83 GLU c CG +32967 C CD . GLU U 65 ? 1.0844 0.7596 0.7671 0.0872 -0.0046 -0.0138 83 GLU c CD +32968 O OE1 . GLU U 65 ? 1.0574 0.7213 0.7316 0.0866 -0.0049 -0.0150 83 GLU c OE1 +32969 O OE2 . GLU U 65 ? 1.1146 0.7923 0.8003 0.0884 -0.0050 -0.0124 83 GLU c OE2 +32970 N N . GLN U 66 ? 0.9341 0.6212 0.6181 0.0819 -0.0019 -0.0182 84 GLN c N +32971 C CA . GLN U 66 ? 1.0271 0.7065 0.7038 0.0807 -0.0021 -0.0200 84 GLN c CA +32972 C C . GLN U 66 ? 1.0892 0.7751 0.7694 0.0779 -0.0019 -0.0203 84 GLN c C +32973 O O . GLN U 66 ? 1.0258 0.7062 0.7002 0.0772 -0.0020 -0.0219 84 GLN c O +32974 C CB . GLN U 66 ? 1.0335 0.7065 0.7031 0.0865 -0.0008 -0.0213 84 GLN c CB +32975 C CG . GLN U 66 ? 1.1303 0.7952 0.7951 0.0894 -0.0011 -0.0212 84 GLN c CG +32976 C CD . GLN U 66 ? 1.1152 0.7731 0.7725 0.0953 0.0001 -0.0226 84 GLN c CD +32977 O OE1 . GLN U 66 ? 1.1109 0.7602 0.7605 0.0949 -0.0001 -0.0242 84 GLN c OE1 +32978 N NE2 . GLN U 66 ? 1.0124 0.6743 0.6720 0.1008 0.0012 -0.0219 84 GLN c NE2 +32979 N N . GLY U 67 ? 0.9370 0.6341 0.6261 0.0764 -0.0016 -0.0189 85 GLY c N +32980 C CA . GLY U 67 ? 0.9091 0.6122 0.6014 0.0737 -0.0015 -0.0190 85 GLY c CA +32981 C C . GLY U 67 ? 1.0161 0.7225 0.7074 0.0776 0.0005 -0.0197 85 GLY c C +32982 O O . GLY U 67 ? 0.9532 0.6599 0.6430 0.0758 0.0006 -0.0205 85 GLY c O +32983 N N . LEU U 68 ? 0.9363 0.6453 0.6286 0.0829 0.0023 -0.0194 86 LEU c N +32984 C CA . LEU U 68 ? 0.9795 0.6909 0.6703 0.0870 0.0045 -0.0201 86 LEU c CA +32985 C C . LEU U 68 ? 1.0633 0.7874 0.7631 0.0874 0.0060 -0.0188 86 LEU c C +32986 O O . LEU U 68 ? 0.9168 0.6475 0.6234 0.0877 0.0060 -0.0174 86 LEU c O +32987 C CB . LEU U 68 ? 1.0251 0.7313 0.7110 0.0930 0.0056 -0.0209 86 LEU c CB +32988 C CG . LEU U 68 ? 1.0062 0.6994 0.6832 0.0928 0.0042 -0.0220 86 LEU c CG +32989 C CD1 . LEU U 68 ? 1.0554 0.7440 0.7278 0.0991 0.0054 -0.0227 86 LEU c CD1 +32990 C CD2 . LEU U 68 ? 0.9602 0.6460 0.6305 0.0897 0.0033 -0.0236 86 LEU c CD2 +32991 N N . ILE U 69 ? 0.9167 0.6440 0.6162 0.0874 0.0073 -0.0193 87 ILE c N +32992 C CA . ILE U 69 ? 0.9242 0.6629 0.6314 0.0884 0.0092 -0.0182 87 ILE c CA +32993 C C . ILE U 69 ? 1.0790 0.8188 0.7835 0.0930 0.0119 -0.0191 87 ILE c C +32994 O O . ILE U 69 ? 0.9360 0.6850 0.6467 0.0952 0.0139 -0.0183 87 ILE c O +32995 C CB . ILE U 69 ? 0.9534 0.6975 0.6651 0.0832 0.0083 -0.0173 87 ILE c CB +32996 C CG1 . ILE U 69 ? 0.9293 0.6672 0.6343 0.0811 0.0077 -0.0187 87 ILE c CG1 +32997 C CG2 . ILE U 69 ? 0.8854 0.6301 0.6012 0.0790 0.0060 -0.0163 87 ILE c CG2 +32998 C CD1 . ILE U 69 ? 0.9295 0.6727 0.6386 0.0762 0.0068 -0.0179 87 ILE c CD1 +32999 N N . LEU U 70 ? 0.9099 0.6408 0.6056 0.0947 0.0121 -0.0208 88 LEU c N +33000 C CA . LEU U 70 ? 1.0471 0.7788 0.7399 0.0992 0.0148 -0.0217 88 LEU c CA +33001 C C . LEU U 70 ? 0.9159 0.6452 0.6067 0.1049 0.0160 -0.0223 88 LEU c C +33002 O O . LEU U 70 ? 0.9085 0.6449 0.6033 0.1088 0.0184 -0.0220 88 LEU c O +33003 C CB . LEU U 70 ? 0.9915 0.7153 0.6757 0.0981 0.0146 -0.0233 88 LEU c CB +33004 C CG . LEU U 70 ? 0.9671 0.6943 0.6533 0.0931 0.0137 -0.0228 88 LEU c CG +33005 C CD1 . LEU U 70 ? 1.0366 0.7584 0.7152 0.0934 0.0143 -0.0244 88 LEU c CD1 +33006 C CD2 . LEU U 70 ? 0.8866 0.6262 0.5824 0.0925 0.0153 -0.0211 88 LEU c CD2 +33007 N N . ILE U 71 ? 0.9694 0.6889 0.6540 0.1056 0.0144 -0.0231 89 ILE c N +33008 C CA . ILE U 71 ? 0.9816 0.6983 0.6641 0.1112 0.0152 -0.0235 89 ILE c CA +33009 C C . ILE U 71 ? 1.0452 0.7720 0.7369 0.1132 0.0159 -0.0220 89 ILE c C +33010 O O . ILE U 71 ? 1.0882 0.8182 0.7809 0.1185 0.0179 -0.0224 89 ILE c O +33011 C CB . ILE U 71 ? 1.0232 0.7276 0.6980 0.1108 0.0130 -0.0244 89 ILE c CB +33012 C CG1 . ILE U 71 ? 1.0382 0.7325 0.7030 0.1108 0.0130 -0.0263 89 ILE c CG1 +33013 C CG2 . ILE U 71 ? 1.1316 0.8337 0.8051 0.1163 0.0136 -0.0245 89 ILE c CG2 +33014 C CD1 . ILE U 71 ? 1.0997 0.7812 0.7563 0.1096 0.0109 -0.0273 89 ILE c CD1 +33015 N N . PRO U 72 ? 1.1071 0.8399 0.8060 0.1093 0.0145 -0.0204 90 PRO c N +33016 C CA . PRO U 72 ? 0.9740 0.7173 0.6819 0.1112 0.0153 -0.0192 90 PRO c CA +33017 C C . PRO U 72 ? 1.0335 0.7867 0.7466 0.1134 0.0182 -0.0190 90 PRO c C +33018 O O . PRO U 72 ? 0.9594 0.7194 0.6776 0.1173 0.0196 -0.0187 90 PRO c O +33019 C CB . PRO U 72 ? 1.0816 0.8288 0.7954 0.1058 0.0133 -0.0176 90 PRO c CB +33020 C CG . PRO U 72 ? 1.1613 0.8976 0.8680 0.1024 0.0110 -0.0182 90 PRO c CG +33021 C CD . PRO U 72 ? 0.9831 0.7120 0.6815 0.1035 0.0118 -0.0199 90 PRO c CD +33022 N N . HIS U 73 ? 0.8743 0.6289 0.5866 0.1109 0.0192 -0.0193 91 HIS c N +33023 C CA . HIS U 73 ? 1.1154 0.8783 0.8315 0.1131 0.0222 -0.0193 91 HIS c CA +33024 C C . HIS U 73 ? 0.9492 0.7091 0.6605 0.1192 0.0245 -0.0207 91 HIS c C +33025 O O . HIS U 73 ? 0.9870 0.7549 0.7035 0.1228 0.0268 -0.0206 91 HIS c O +33026 C CB . HIS U 73 ? 0.9968 0.7604 0.7117 0.1091 0.0227 -0.0192 91 HIS c CB +33027 C CG . HIS U 73 ? 1.0275 0.7986 0.7501 0.1041 0.0217 -0.0176 91 HIS c CG +33028 N ND1 . HIS U 73 ? 0.8663 0.6338 0.5884 0.0993 0.0188 -0.0170 91 HIS c ND1 +33029 C CD2 . HIS U 73 ? 0.8937 0.6757 0.6244 0.1033 0.0233 -0.0164 91 HIS c CD2 +33030 C CE1 . HIS U 73 ? 0.8614 0.6372 0.5911 0.0958 0.0186 -0.0156 91 HIS c CE1 +33031 N NE2 . HIS U 73 ? 0.9470 0.7315 0.6819 0.0981 0.0213 -0.0152 91 HIS c NE2 +33032 N N . ILE U 74 ? 1.0224 0.7710 0.7239 0.1205 0.0238 -0.0222 92 ILE c N +33033 C CA . ILE U 74 ? 1.0354 0.7804 0.7317 0.1265 0.0259 -0.0237 92 ILE c CA +33034 C C . ILE U 74 ? 1.1213 0.8680 0.8204 0.1310 0.0257 -0.0235 92 ILE c C +33035 O O . ILE U 74 ? 1.0585 0.8112 0.7607 0.1358 0.0281 -0.0239 92 ILE c O +33036 C CB . ILE U 74 ? 1.1346 0.8664 0.8194 0.1266 0.0250 -0.0253 92 ILE c CB +33037 C CG1 . ILE U 74 ? 0.9886 0.7191 0.6709 0.1219 0.0247 -0.0255 92 ILE c CG1 +33038 C CG2 . ILE U 74 ? 1.0317 0.7597 0.7107 0.1329 0.0273 -0.0270 92 ILE c CG2 +33039 C CD1 . ILE U 74 ? 0.9860 0.7036 0.6582 0.1200 0.0227 -0.0269 92 ILE c CD1 +33040 N N . ALA U 75 ? 0.9681 0.7098 0.6663 0.1295 0.0229 -0.0230 93 ALA c N +33041 C CA . ALA U 75 ? 0.9783 0.7212 0.6789 0.1335 0.0224 -0.0227 93 ALA c CA +33042 C C . ALA U 75 ? 1.0386 0.7952 0.7499 0.1352 0.0240 -0.0217 93 ALA c C +33043 O O . ALA U 75 ? 1.0937 0.8533 0.8067 0.1407 0.0251 -0.0222 93 ALA c O +33044 C CB . ALA U 75 ? 0.9559 0.6931 0.6554 0.1303 0.0192 -0.0219 93 ALA c CB +33045 N N . THR U 76 ? 1.0107 0.7757 0.7292 0.1306 0.0240 -0.0205 94 THR c N +33046 C CA . THR U 76 ? 1.0217 0.7997 0.7508 0.1316 0.0253 -0.0195 94 THR c CA +33047 C C . THR U 76 ? 1.1566 0.9404 0.8873 0.1363 0.0287 -0.0204 94 THR c C +33048 O O . THR U 76 ? 0.9910 0.7833 0.7284 0.1397 0.0298 -0.0202 94 THR c O +33049 C CB . THR U 76 ? 1.2144 0.9991 0.9498 0.1254 0.0248 -0.0180 94 THR c CB +33050 O OG1 . THR U 76 ? 1.0616 0.8416 0.7962 0.1214 0.0216 -0.0172 94 THR c OG1 +33051 C CG2 . THR U 76 ? 0.8731 0.6718 0.6197 0.1259 0.0263 -0.0170 94 THR c CG2 +33052 N N . LEU U 77 ? 1.1199 0.8993 0.8443 0.1367 0.0305 -0.0215 95 LEU c N +33053 C CA . LEU U 77 ? 1.2763 1.0603 1.0013 0.1412 0.0340 -0.0225 95 LEU c CA +33054 C C . LEU U 77 ? 1.1815 0.9608 0.9020 0.1479 0.0346 -0.0239 95 LEU c C +33055 O O . LEU U 77 ? 1.1051 0.8881 0.8259 0.1521 0.0376 -0.0249 95 LEU c O +33056 C CB . LEU U 77 ? 1.0923 0.8727 0.8117 0.1391 0.0356 -0.0231 95 LEU c CB +33057 C CG . LEU U 77 ? 1.1576 0.9447 0.8826 0.1334 0.0358 -0.0217 95 LEU c CG +33058 C CD1 . LEU U 77 ? 1.0998 0.8809 0.8177 0.1307 0.0363 -0.0223 95 LEU c CD1 +33059 C CD2 . LEU U 77 ? 0.9208 0.7212 0.6554 0.1346 0.0386 -0.0211 95 LEU c CD2 +33060 N N . GLY U 78 ? 1.0907 0.8625 0.8073 0.1490 0.0320 -0.0240 96 GLY c N +33061 C CA . GLY U 78 ? 1.0378 0.8057 0.7509 0.1555 0.0322 -0.0251 96 GLY c CA +33062 C C . GLY U 78 ? 1.2997 1.0538 1.0008 0.1575 0.0319 -0.0267 96 GLY c C +33063 O O . GLY U 78 ? 1.3199 1.0701 1.0170 0.1634 0.0324 -0.0278 96 GLY c O +33064 N N . TRP U 79 ? 1.1525 0.8991 0.8474 0.1530 0.0310 -0.0268 97 TRP c N +33065 C CA . TRP U 79 ? 1.2026 0.9361 0.8860 0.1544 0.0307 -0.0284 97 TRP c CA +33066 C C . TRP U 79 ? 0.9993 0.7222 0.6771 0.1522 0.0273 -0.0282 97 TRP c C +33067 O O . TRP U 79 ? 1.0766 0.7991 0.7563 0.1465 0.0252 -0.0271 97 TRP c O +33068 C CB . TRP U 79 ? 1.0323 0.7638 0.7118 0.1510 0.0319 -0.0289 97 TRP c CB +33069 C CG . TRP U 79 ? 1.1551 0.8919 0.8352 0.1547 0.0356 -0.0298 97 TRP c CG +33070 C CD1 . TRP U 79 ? 1.1525 0.8872 0.8288 0.1612 0.0376 -0.0312 97 TRP c CD1 +33071 C CD2 . TRP U 79 ? 1.3520 1.0965 1.0360 0.1521 0.0378 -0.0294 97 TRP c CD2 +33072 N NE1 . TRP U 79 ? 1.2352 0.9762 0.9133 0.1628 0.0411 -0.0317 97 TRP c NE1 +33073 C CE2 . TRP U 79 ? 1.2788 1.0256 0.9614 0.1573 0.0413 -0.0306 97 TRP c CE2 +33074 C CE3 . TRP U 79 ? 1.3691 1.1187 1.0577 0.1461 0.0372 -0.0280 97 TRP c CE3 +33075 C CZ2 . TRP U 79 ? 1.1768 0.9307 0.8622 0.1564 0.0443 -0.0305 97 TRP c CZ2 +33076 C CZ3 . TRP U 79 ? 1.3736 1.1299 1.0647 0.1454 0.0401 -0.0279 97 TRP c CZ3 +33077 C CH2 . TRP U 79 ? 1.1570 0.9154 0.8465 0.1504 0.0437 -0.0291 97 TRP c CH2 +33078 N N . GLY U 80 ? 1.0726 0.7865 0.7434 0.1569 0.0268 -0.0293 98 GLY c N +33079 C CA . GLY U 80 ? 1.0702 0.7715 0.7333 0.1550 0.0240 -0.0295 98 GLY c CA +33080 C C . GLY U 80 ? 1.1961 0.8978 0.8626 0.1551 0.0218 -0.0282 98 GLY c C +33081 O O . GLY U 80 ? 1.0984 0.7896 0.7586 0.1532 0.0195 -0.0282 98 GLY c O +33082 N N . VAL U 81 ? 1.0344 0.7474 0.7102 0.1572 0.0224 -0.0272 99 VAL c N +33083 C CA . VAL U 81 ? 1.1593 0.8743 0.8395 0.1567 0.0202 -0.0258 99 VAL c CA +33084 C C . VAL U 81 ? 1.1405 0.8616 0.8249 0.1634 0.0211 -0.0260 99 VAL c C +33085 O O . VAL U 81 ? 1.1586 0.8877 0.8470 0.1670 0.0236 -0.0266 99 VAL c O +33086 C CB . VAL U 81 ? 1.1277 0.8521 0.8170 0.1506 0.0193 -0.0241 99 VAL c CB +33087 C CG1 . VAL U 81 ? 1.0656 0.7833 0.7508 0.1439 0.0178 -0.0238 99 VAL c CG1 +33088 C CG2 . VAL U 81 ? 0.9251 0.6634 0.6236 0.1511 0.0218 -0.0238 99 VAL c CG2 +33089 N N . GLY U 82 ? 0.9887 0.7065 0.6726 0.1650 0.0190 -0.0253 100 GLY c N +33090 C CA . GLY U 82 ? 1.1640 0.8876 0.8521 0.1712 0.0193 -0.0254 100 GLY c CA +33091 C C . GLY U 82 ? 1.1698 0.9009 0.8660 0.1696 0.0174 -0.0237 100 GLY c C +33092 O O . GLY U 82 ? 1.2216 0.9589 0.9240 0.1639 0.0169 -0.0225 100 GLY c O +33093 N N . PRO U 83 ? 1.3835 1.1139 1.0796 0.1748 0.0164 -0.0237 101 PRO c N +33094 C CA . PRO U 83 ? 1.1472 0.8848 0.8509 0.1740 0.0145 -0.0222 101 PRO c CA +33095 C C . PRO U 83 ? 1.2143 0.9468 0.9167 0.1673 0.0122 -0.0208 101 PRO c C +33096 O O . PRO U 83 ? 1.1267 0.8464 0.8199 0.1656 0.0110 -0.0209 101 PRO c O +33097 C CB . PRO U 83 ? 1.2072 0.9406 0.9075 0.1810 0.0135 -0.0227 101 PRO c CB +33098 C CG . PRO U 83 ? 1.1729 0.9032 0.8682 0.1864 0.0158 -0.0245 101 PRO c CG +33099 C CD . PRO U 83 ? 1.1452 0.8684 0.8344 0.1820 0.0168 -0.0251 101 PRO c CD +33100 N N . GLY U 84 ? 1.1973 0.9400 0.9089 0.1635 0.0116 -0.0194 102 GLY c N +33101 C CA . GLY U 84 ? 1.0922 0.8317 0.8037 0.1569 0.0096 -0.0180 102 GLY c CA +33102 C C . GLY U 84 ? 1.2269 0.9621 0.9351 0.1511 0.0101 -0.0182 102 GLY c C +33103 O O . GLY U 84 ? 1.1525 0.8836 0.8595 0.1456 0.0084 -0.0172 102 GLY c O +33104 N N . GLY U 85 ? 1.1561 0.8922 0.8628 0.1521 0.0124 -0.0194 103 GLY c N +33105 C CA . GLY U 85 ? 1.0542 0.7865 0.7577 0.1468 0.0128 -0.0196 103 GLY c CA +33106 C C . GLY U 85 ? 1.0970 0.8142 0.7891 0.1458 0.0117 -0.0204 103 GLY c C +33107 O O . GLY U 85 ? 1.0645 0.7774 0.7538 0.1404 0.0112 -0.0205 103 GLY c O +33108 N N . GLU U 86 ? 1.0989 0.8076 0.7844 0.1507 0.0111 -0.0211 104 GLU c N +33109 C CA . GLU U 86 ? 1.2177 0.9116 0.8918 0.1503 0.0104 -0.0221 104 GLU c CA +33110 C C . GLU U 86 ? 1.2720 0.9634 0.9417 0.1508 0.0124 -0.0237 104 GLU c C +33111 O O . GLU U 86 ? 1.0799 0.7782 0.7526 0.1548 0.0146 -0.0244 104 GLU c O +33112 C CB . GLU U 86 ? 1.2652 0.9512 0.9332 0.1564 0.0097 -0.0226 104 GLU c CB +33113 C CG . GLU U 86 ? 1.4585 1.1284 1.1149 0.1555 0.0086 -0.0234 104 GLU c CG +33114 C CD . GLU U 86 ? 1.6772 1.3394 1.3279 0.1612 0.0078 -0.0235 104 GLU c CD +33115 O OE1 . GLU U 86 ? 1.7517 1.4216 1.4078 0.1661 0.0080 -0.0231 104 GLU c OE1 +33116 O OE2 . GLU U 86 ? 1.7596 1.4080 1.4004 0.1608 0.0068 -0.0241 104 GLU c OE2 +33117 N N . VAL U 87 ? 1.1266 0.8082 0.7891 0.1466 0.0116 -0.0243 105 VAL c N +33118 C CA . VAL U 87 ? 1.1478 0.8253 0.8047 0.1470 0.0132 -0.0259 105 VAL c CA +33119 C C . VAL U 87 ? 1.3188 0.9857 0.9662 0.1530 0.0137 -0.0275 105 VAL c C +33120 O O . VAL U 87 ? 1.2861 0.9412 0.9259 0.1527 0.0121 -0.0277 105 VAL c O +33121 C CB . VAL U 87 ? 1.3646 1.0361 1.0176 0.1402 0.0120 -0.0261 105 VAL c CB +33122 C CG1 . VAL U 87 ? 1.2335 0.8998 0.8798 0.1412 0.0135 -0.0280 105 VAL c CG1 +33123 C CG2 . VAL U 87 ? 1.1221 0.8040 0.7844 0.1346 0.0116 -0.0247 105 VAL c CG2 +33124 N N . VAL U 88 ? 1.1676 0.8384 0.8152 0.1583 0.0160 -0.0286 106 VAL c N +33125 C CA . VAL U 88 ? 1.2198 0.8815 0.8589 0.1645 0.0168 -0.0301 106 VAL c CA +33126 C C . VAL U 88 ? 1.1979 0.8517 0.8287 0.1641 0.0179 -0.0319 106 VAL c C +33127 O O . VAL U 88 ? 1.2490 0.8910 0.8701 0.1673 0.0178 -0.0333 106 VAL c O +33128 C CB . VAL U 88 ? 1.1181 0.7887 0.7625 0.1717 0.0186 -0.0303 106 VAL c CB +33129 C CG1 . VAL U 88 ? 1.1104 0.7867 0.7613 0.1728 0.0171 -0.0288 106 VAL c CG1 +33130 C CG2 . VAL U 88 ? 1.0895 0.7726 0.7414 0.1713 0.0211 -0.0304 106 VAL c CG2 +33131 N N . ASP U 89 ? 1.2868 0.9464 0.9208 0.1603 0.0190 -0.0320 107 ASP c N +33132 C CA . ASP U 89 ? 1.1647 0.8185 0.7915 0.1604 0.0204 -0.0337 107 ASP c CA +33133 C C . ASP U 89 ? 1.1988 0.8568 0.8287 0.1536 0.0201 -0.0333 107 ASP c C +33134 O O . ASP U 89 ? 1.1102 0.7803 0.7485 0.1528 0.0215 -0.0324 107 ASP c O +33135 C CB . ASP U 89 ? 1.2467 0.9060 0.8745 0.1670 0.0234 -0.0347 107 ASP c CB +33136 C CG . ASP U 89 ? 1.3008 0.9546 0.9212 0.1675 0.0251 -0.0366 107 ASP c CG +33137 O OD1 . ASP U 89 ? 1.2409 0.8831 0.8525 0.1647 0.0237 -0.0375 107 ASP c OD1 +33138 O OD2 . ASP U 89 ? 1.4056 1.0671 1.0292 0.1709 0.0279 -0.0371 107 ASP c OD2 +33139 N N . THR U 90 ? 1.0778 0.7258 0.7008 0.1490 0.0184 -0.0339 108 THR c N +33140 C CA . THR U 90 ? 1.0267 0.6777 0.6519 0.1427 0.0178 -0.0336 108 THR c CA +33141 C C . THR U 90 ? 1.2618 0.9127 0.8832 0.1435 0.0198 -0.0350 108 THR c C +33142 O O . THR U 90 ? 1.2110 0.8649 0.8342 0.1387 0.0195 -0.0348 108 THR c O +33143 C CB . THR U 90 ? 1.1676 0.8085 0.7874 0.1371 0.0150 -0.0338 108 THR c CB +33144 O OG1 . THR U 90 ? 1.1978 0.8250 0.8062 0.1393 0.0147 -0.0356 108 THR c OG1 +33145 C CG2 . THR U 90 ? 1.2170 0.8586 0.8410 0.1353 0.0131 -0.0321 108 THR c CG2 +33146 N N . PHE U 91 ? 1.2279 0.8751 0.8439 0.1495 0.0217 -0.0365 109 PHE c N +33147 C CA . PHE U 91 ? 1.1971 0.8435 0.8088 0.1506 0.0238 -0.0379 109 PHE c CA +33148 C C . PHE U 91 ? 1.1765 0.8365 0.7970 0.1495 0.0258 -0.0369 109 PHE c C +33149 O O . PHE U 91 ? 1.1154 0.7751 0.7336 0.1466 0.0262 -0.0375 109 PHE c O +33150 C CB . PHE U 91 ? 1.3472 0.9875 0.9518 0.1578 0.0257 -0.0396 109 PHE c CB +33151 C CG . PHE U 91 ? 1.3519 0.9896 0.9505 0.1592 0.0277 -0.0413 109 PHE c CG +33152 C CD1 . PHE U 91 ? 1.1612 0.7883 0.7509 0.1558 0.0263 -0.0427 109 PHE c CD1 +33153 C CD2 . PHE U 91 ? 1.2557 0.9017 0.8577 0.1637 0.0311 -0.0416 109 PHE c CD2 +33154 C CE1 . PHE U 91 ? 1.2854 0.9100 0.8693 0.1570 0.0281 -0.0442 109 PHE c CE1 +33155 C CE2 . PHE U 91 ? 1.3462 0.9898 0.9425 0.1649 0.0331 -0.0430 109 PHE c CE2 +33156 C CZ . PHE U 91 ? 1.1592 0.7920 0.7463 0.1616 0.0315 -0.0444 109 PHE c CZ +33157 N N . PRO U 92 ? 1.2485 0.9203 0.8787 0.1516 0.0271 -0.0356 110 PRO c N +33158 C CA . PRO U 92 ? 1.2012 0.8855 0.8396 0.1498 0.0290 -0.0346 110 PRO c CA +33159 C C . PRO U 92 ? 1.2275 0.9139 0.8688 0.1425 0.0271 -0.0335 110 PRO c C +33160 O O . PRO U 92 ? 1.1438 0.8354 0.7870 0.1405 0.0285 -0.0334 110 PRO c O +33161 C CB . PRO U 92 ? 1.1599 0.8554 0.8082 0.1528 0.0301 -0.0333 110 PRO c CB +33162 C CG . PRO U 92 ? 1.1591 0.8478 0.8026 0.1585 0.0298 -0.0342 110 PRO c CG +33163 C CD . PRO U 92 ? 1.0829 0.7573 0.7167 0.1561 0.0271 -0.0350 110 PRO c CD +33164 N N . PHE U 93 ? 1.1757 0.8579 0.8171 0.1384 0.0241 -0.0328 111 PHE c N +33165 C CA . PHE U 93 ? 1.1705 0.8540 0.8141 0.1316 0.0222 -0.0320 111 PHE c CA +33166 C C . PHE U 93 ? 1.0905 0.7658 0.7255 0.1296 0.0219 -0.0336 111 PHE c C +33167 O O . PHE U 93 ? 1.2818 0.9615 0.9187 0.1264 0.0223 -0.0333 111 PHE c O +33168 C CB . PHE U 93 ? 1.0338 0.7136 0.6787 0.1278 0.0191 -0.0311 111 PHE c CB +33169 C CG . PHE U 93 ? 1.0981 0.7844 0.7503 0.1300 0.0190 -0.0297 111 PHE c CG +33170 C CD1 . PHE U 93 ? 1.1249 0.8241 0.7864 0.1316 0.0209 -0.0285 111 PHE c CD1 +33171 C CD2 . PHE U 93 ? 1.0248 0.7041 0.6742 0.1304 0.0171 -0.0295 111 PHE c CD2 +33172 C CE1 . PHE U 93 ? 1.0950 0.8003 0.7632 0.1336 0.0207 -0.0273 111 PHE c CE1 +33173 C CE2 . PHE U 93 ? 1.1095 0.7945 0.7652 0.1325 0.0169 -0.0282 111 PHE c CE2 +33174 C CZ . PHE U 93 ? 1.0949 0.7931 0.7602 0.1342 0.0186 -0.0272 111 PHE c CZ +33175 N N . PHE U 94 ? 1.3436 1.0066 0.9687 0.1315 0.0211 -0.0353 112 PHE c N +33176 C CA . PHE U 94 ? 1.1553 0.8094 0.7712 0.1301 0.0207 -0.0371 112 PHE c CA +33177 C C . PHE U 94 ? 1.1235 0.7826 0.7391 0.1322 0.0236 -0.0376 112 PHE c C +33178 O O . PHE U 94 ? 1.1264 0.7840 0.7390 0.1290 0.0231 -0.0382 112 PHE c O +33179 C CB . PHE U 94 ? 1.2196 0.8605 0.8253 0.1334 0.0202 -0.0389 112 PHE c CB +33180 C CG . PHE U 94 ? 1.2369 0.8675 0.8326 0.1317 0.0193 -0.0408 112 PHE c CG +33181 C CD1 . PHE U 94 ? 1.1808 0.8060 0.7742 0.1256 0.0163 -0.0411 112 PHE c CD1 +33182 C CD2 . PHE U 94 ? 1.3080 0.9340 0.8964 0.1363 0.0215 -0.0426 112 PHE c CD2 +33183 C CE1 . PHE U 94 ? 1.3712 0.9868 0.9553 0.1240 0.0153 -0.0430 112 PHE c CE1 +33184 C CE2 . PHE U 94 ? 1.2377 0.8539 0.8166 0.1348 0.0205 -0.0445 112 PHE c CE2 +33185 C CZ . PHE U 94 ? 1.3083 0.9192 0.8850 0.1286 0.0174 -0.0448 112 PHE c CZ +33186 N N . VAL U 95 ? 1.1996 0.8648 0.8182 0.1377 0.0266 -0.0375 113 VAL c N +33187 C CA . VAL U 95 ? 1.1547 0.8244 0.7727 0.1402 0.0297 -0.0380 113 VAL c CA +33188 C C . VAL U 95 ? 1.2556 0.9357 0.8813 0.1358 0.0301 -0.0365 113 VAL c C +33189 O O . VAL U 95 ? 1.1365 0.8158 0.7588 0.1341 0.0307 -0.0371 113 VAL c O +33190 C CB . VAL U 95 ? 1.2705 0.9452 0.8911 0.1470 0.0328 -0.0382 113 VAL c CB +33191 C CG1 . VAL U 95 ? 1.2334 0.9166 0.8569 0.1488 0.0364 -0.0381 113 VAL c CG1 +33192 C CG2 . VAL U 95 ? 1.1997 0.8628 0.8105 0.1518 0.0329 -0.0401 113 VAL c CG2 +33193 N N . VAL U 96 ? 1.2073 0.8970 0.8432 0.1342 0.0297 -0.0346 114 VAL c N +33194 C CA . VAL U 96 ? 1.1066 0.8062 0.7502 0.1300 0.0300 -0.0330 114 VAL c CA +33195 C C . VAL U 96 ? 1.0406 0.7348 0.6800 0.1243 0.0275 -0.0333 114 VAL c C +33196 O O . VAL U 96 ? 1.0727 0.7702 0.7123 0.1223 0.0284 -0.0331 114 VAL c O +33197 C CB . VAL U 96 ? 1.1576 0.8662 0.8118 0.1286 0.0292 -0.0311 114 VAL c CB +33198 C CG1 . VAL U 96 ? 0.9940 0.7107 0.6551 0.1233 0.0286 -0.0295 114 VAL c CG1 +33199 C CG2 . VAL U 96 ? 1.0640 0.7802 0.7235 0.1341 0.0320 -0.0307 114 VAL c CG2 +33200 N N . GLY U 97 ? 0.9322 0.6179 0.5676 0.1217 0.0243 -0.0338 115 GLY c N +33201 C CA . GLY U 97 ? 1.0916 0.7723 0.7233 0.1163 0.0217 -0.0342 115 GLY c CA +33202 C C . GLY U 97 ? 1.2275 0.9016 0.8501 0.1172 0.0224 -0.0360 115 GLY c C +33203 O O . GLY U 97 ? 1.1665 0.8426 0.7889 0.1140 0.0221 -0.0359 115 GLY c O +33204 N N . VAL U 98 ? 1.2941 0.9601 0.9087 0.1217 0.0235 -0.0377 116 VAL c N +33205 C CA . VAL U 98 ? 1.1191 0.7777 0.7241 0.1231 0.0242 -0.0397 116 VAL c CA +33206 C C . VAL U 98 ? 1.0364 0.7030 0.6438 0.1243 0.0272 -0.0392 116 VAL c C +33207 O O . VAL U 98 ? 1.0302 0.6951 0.6338 0.1218 0.0268 -0.0397 116 VAL c O +33208 C CB . VAL U 98 ? 1.3589 1.0082 0.9558 0.1285 0.0252 -0.0414 116 VAL c CB +33209 C CG1 . VAL U 98 ? 1.1693 0.8141 0.7578 0.1319 0.0274 -0.0432 116 VAL c CG1 +33210 C CG2 . VAL U 98 ? 1.0992 0.7374 0.6904 0.1262 0.0218 -0.0424 116 VAL c CG2 +33211 N N . VAL U 99 ? 1.0574 0.7328 0.6711 0.1281 0.0303 -0.0382 117 VAL c N +33212 C CA . VAL U 99 ? 1.0362 0.7184 0.6514 0.1297 0.0337 -0.0379 117 VAL c CA +33213 C C . VAL U 99 ? 1.3303 1.0194 0.9509 0.1245 0.0329 -0.0364 117 VAL c C +33214 O O . VAL U 99 ? 1.2344 0.9239 0.8518 0.1238 0.0341 -0.0366 117 VAL c O +33215 C CB . VAL U 99 ? 1.1774 0.8681 0.7989 0.1348 0.0372 -0.0372 117 VAL c CB +33216 C CG1 . VAL U 99 ? 1.1706 0.8684 0.7937 0.1362 0.0409 -0.0369 117 VAL c CG1 +33217 C CG2 . VAL U 99 ? 1.1454 0.8287 0.7608 0.1403 0.0380 -0.0388 117 VAL c CG2 +33218 N N . HIS U 100 ? 1.0941 0.7885 0.7228 0.1207 0.0308 -0.0347 118 HIS c N +33219 C CA . HIS U 100 ? 1.2149 0.9146 0.8480 0.1155 0.0295 -0.0334 118 HIS c CA +33220 C C . HIS U 100 ? 1.1044 0.7954 0.7295 0.1120 0.0268 -0.0347 118 HIS c C +33221 O O . HIS U 100 ? 1.0291 0.7223 0.6535 0.1097 0.0270 -0.0344 118 HIS c O +33222 C CB . HIS U 100 ? 1.1611 0.8671 0.8037 0.1122 0.0275 -0.0316 118 HIS c CB +33223 C CG . HIS U 100 ? 0.9833 0.7011 0.6359 0.1139 0.0301 -0.0299 118 HIS c CG +33224 N ND1 . HIS U 100 ? 1.0064 0.7266 0.6622 0.1181 0.0315 -0.0298 118 HIS c ND1 +33225 C CD2 . HIS U 100 ? 1.0361 0.7639 0.6960 0.1120 0.0315 -0.0283 118 HIS c CD2 +33226 C CE1 . HIS U 100 ? 1.0945 0.8260 0.7595 0.1185 0.0335 -0.0283 118 HIS c CE1 +33227 N NE2 . HIS U 100 ? 1.0790 0.8152 0.7466 0.1148 0.0337 -0.0273 118 HIS c NE2 +33228 N N . LEU U 101 ? 1.0584 0.7393 0.6772 0.1116 0.0243 -0.0362 119 LEU c N +33229 C CA . LEU U 101 ? 1.1257 0.7988 0.7377 0.1078 0.0213 -0.0374 119 LEU c CA +33230 C C . LEU U 101 ? 1.3087 0.9763 0.9113 0.1101 0.0227 -0.0391 119 LEU c C +33231 O O . LEU U 101 ? 1.2077 0.8738 0.8073 0.1070 0.0214 -0.0395 119 LEU c O +33232 C CB . LEU U 101 ? 1.0059 0.6696 0.6137 0.1066 0.0183 -0.0386 119 LEU c CB +33233 C CG . LEU U 101 ? 1.2129 0.8691 0.8149 0.1020 0.0148 -0.0399 119 LEU c CG +33234 C CD1 . LEU U 101 ? 1.1943 0.8580 0.8039 0.0966 0.0129 -0.0383 119 LEU c CD1 +33235 C CD2 . LEU U 101 ? 1.1030 0.7489 0.6998 0.1011 0.0123 -0.0413 119 LEU c CD2 +33236 N N . ILE U 102 ? 1.0983 0.7625 0.6961 0.1155 0.0254 -0.0402 120 ILE c N +33237 C CA . ILE U 102 ? 1.1890 0.8485 0.7781 0.1181 0.0273 -0.0417 120 ILE c CA +33238 C C . ILE U 102 ? 1.2670 0.9353 0.8600 0.1174 0.0296 -0.0404 120 ILE c C +33239 O O . ILE U 102 ? 1.1526 0.8181 0.7403 0.1157 0.0291 -0.0410 120 ILE c O +33240 C CB . ILE U 102 ? 1.2782 0.9336 0.8624 0.1244 0.0301 -0.0430 120 ILE c CB +33241 C CG1 . ILE U 102 ? 1.1589 0.8034 0.7370 0.1252 0.0278 -0.0446 120 ILE c CG1 +33242 C CG2 . ILE U 102 ? 1.0645 0.7170 0.6409 0.1274 0.0329 -0.0443 120 ILE c CG2 +33243 C CD1 . ILE U 102 ? 1.3043 0.9384 0.8740 0.1215 0.0243 -0.0463 120 ILE c CD1 +33244 N N . SER U 103 ? 1.1446 0.8237 0.7471 0.1187 0.0322 -0.0385 121 SER c N +33245 C CA . SER U 103 ? 1.2313 0.9191 0.8380 0.1182 0.0348 -0.0371 121 SER c CA +33246 C C . SER U 103 ? 1.1857 0.8755 0.7944 0.1125 0.0321 -0.0361 121 SER c C +33247 O O . SER U 103 ? 1.1313 0.8245 0.7394 0.1120 0.0337 -0.0356 121 SER c O +33248 C CB . SER U 103 ? 1.0451 0.7441 0.6623 0.1200 0.0376 -0.0353 121 SER c CB +33249 O OG . SER U 103 ? 1.1986 0.8962 0.8147 0.1253 0.0397 -0.0362 121 SER c OG +33250 N N . SER U 104 ? 1.0696 0.7574 0.6806 0.1084 0.0282 -0.0360 122 SER c N +33251 C CA . SER U 104 ? 1.2032 0.8929 0.8159 0.1033 0.0256 -0.0352 122 SER c CA +33252 C C . SER U 104 ? 1.1352 0.8170 0.7378 0.1026 0.0244 -0.0369 122 SER c C +33253 O O . SER U 104 ? 1.1761 0.8604 0.7790 0.0997 0.0236 -0.0362 122 SER c O +33254 C CB . SER U 104 ? 1.0379 0.7272 0.6553 0.0991 0.0217 -0.0347 122 SER c CB +33255 O OG . SER U 104 ? 1.0478 0.7267 0.6579 0.0980 0.0187 -0.0367 122 SER c OG +33256 N N . ALA U 105 ? 1.2244 0.8964 0.8177 0.1052 0.0242 -0.0391 123 ALA c N +33257 C CA . ALA U 105 ? 1.2801 0.9442 0.8630 0.1051 0.0233 -0.0409 123 ALA c CA +33258 C C . ALA U 105 ? 1.0887 0.7568 0.6698 0.1075 0.0270 -0.0403 123 ALA c C +33259 O O . ALA U 105 ? 1.0999 0.7669 0.6772 0.1055 0.0261 -0.0405 123 ALA c O +33260 C CB . ALA U 105 ? 1.2884 0.9414 0.8620 0.1078 0.0227 -0.0433 123 ALA c CB +33261 N N . VAL U 106 ? 1.1537 0.8266 0.7376 0.1118 0.0313 -0.0397 124 VAL c N +33262 C CA . VAL U 106 ? 1.1130 0.7905 0.6961 0.1140 0.0352 -0.0390 124 VAL c CA +33263 C C . VAL U 106 ? 1.3580 1.0437 0.9478 0.1101 0.0349 -0.0369 124 VAL c C +33264 O O . VAL U 106 ? 1.2364 0.9217 0.8219 0.1095 0.0357 -0.0367 124 VAL c O +33265 C CB . VAL U 106 ? 1.2985 0.9810 0.8852 0.1190 0.0398 -0.0386 124 VAL c CB +33266 C CG1 . VAL U 106 ? 1.2820 0.9695 0.8681 0.1210 0.0441 -0.0379 124 VAL c CG1 +33267 C CG2 . VAL U 106 ? 1.3135 0.9873 0.8930 0.1231 0.0400 -0.0408 124 VAL c CG2 +33268 N N . LEU U 107 ? 1.2718 0.9649 0.8720 0.1075 0.0338 -0.0351 125 LEU c N +33269 C CA . LEU U 107 ? 1.2238 0.9250 0.8307 0.1040 0.0336 -0.0330 125 LEU c CA +33270 C C . LEU U 107 ? 1.0983 0.7949 0.7010 0.0997 0.0295 -0.0335 125 LEU c C +33271 O O . LEU U 107 ? 1.0736 0.7724 0.6753 0.0983 0.0300 -0.0327 125 LEU c O +33272 C CB . LEU U 107 ? 1.3082 1.0180 0.9268 0.1024 0.0334 -0.0312 125 LEU c CB +33273 C CG . LEU U 107 ? 1.1268 0.8431 0.7510 0.1065 0.0375 -0.0305 125 LEU c CG +33274 C CD1 . LEU U 107 ? 1.1588 0.8818 0.7934 0.1050 0.0364 -0.0291 125 LEU c CD1 +33275 C CD2 . LEU U 107 ? 0.9810 0.7038 0.6068 0.1077 0.0417 -0.0293 125 LEU c CD2 +33276 N N . GLY U 108 ? 1.1681 0.8583 0.7686 0.0976 0.0255 -0.0348 126 GLY c N +33277 C CA . GLY U 108 ? 1.1225 0.8083 0.7190 0.0937 0.0215 -0.0355 126 GLY c CA +33278 C C . GLY U 108 ? 1.2562 0.9357 0.8422 0.0951 0.0220 -0.0369 126 GLY c C +33279 O O . GLY U 108 ? 1.1945 0.8741 0.7786 0.0924 0.0201 -0.0366 126 GLY c O +33280 N N . PHE U 109 ? 1.1901 0.8641 0.7688 0.0994 0.0244 -0.0384 127 PHE c N +33281 C CA . PHE U 109 ? 1.1517 0.8194 0.7198 0.1012 0.0253 -0.0398 127 PHE c CA +33282 C C . PHE U 109 ? 1.2052 0.8794 0.7750 0.1014 0.0282 -0.0380 127 PHE c C +33283 O O . PHE U 109 ? 1.2122 0.8846 0.7779 0.0993 0.0265 -0.0380 127 PHE c O +33284 C CB . PHE U 109 ? 1.3575 1.0191 0.9186 0.1062 0.0279 -0.0415 127 PHE c CB +33285 C CG . PHE U 109 ? 1.3439 0.9966 0.8926 0.1078 0.0279 -0.0435 127 PHE c CG +33286 C CD1 . PHE U 109 ? 1.3565 1.0110 0.9015 0.1101 0.0315 -0.0430 127 PHE c CD1 +33287 C CD2 . PHE U 109 ? 1.5690 1.2115 1.1097 0.1069 0.0242 -0.0459 127 PHE c CD2 +33288 C CE1 . PHE U 109 ? 1.6359 1.2820 1.1691 0.1117 0.0314 -0.0448 127 PHE c CE1 +33289 C CE2 . PHE U 109 ? 1.7224 1.3565 1.2514 0.1084 0.0240 -0.0479 127 PHE c CE2 +33290 C CZ . PHE U 109 ? 1.4329 1.0688 0.9581 0.1109 0.0275 -0.0473 127 PHE c CZ +33291 N N . GLY U 110 ? 1.1046 0.7864 0.6804 0.1038 0.0326 -0.0364 128 GLY c N +33292 C CA . GLY U 110 ? 1.1741 0.8623 0.7520 0.1038 0.0357 -0.0346 128 GLY c CA +33293 C C . GLY U 110 ? 1.3235 1.0167 0.9071 0.0991 0.0330 -0.0329 128 GLY c C +33294 O O . GLY U 110 ? 1.1792 0.8730 0.7600 0.0981 0.0335 -0.0322 128 GLY c O +33295 N N . GLY U 111 ? 1.2250 0.9214 0.8165 0.0961 0.0300 -0.0323 129 GLY c N +33296 C CA . GLY U 111 ? 1.1128 0.8138 0.7099 0.0917 0.0273 -0.0308 129 GLY c CA +33297 C C . GLY U 111 ? 1.0929 0.7872 0.6824 0.0893 0.0234 -0.0320 129 GLY c C +33298 O O . GLY U 111 ? 1.0569 0.7537 0.6463 0.0875 0.0231 -0.0309 129 GLY c O +33299 N N . VAL U 112 ? 1.0921 0.7779 0.6751 0.0893 0.0205 -0.0344 130 VAL c N +33300 C CA . VAL U 112 ? 1.2747 0.9538 0.8499 0.0872 0.0166 -0.0358 130 VAL c CA +33301 C C . VAL U 112 ? 1.4160 1.0918 0.9823 0.0897 0.0189 -0.0362 130 VAL c C +33302 O O . VAL U 112 ? 1.1840 0.8588 0.7469 0.0878 0.0170 -0.0360 130 VAL c O +33303 C CB . VAL U 112 ? 1.3648 1.0352 0.9348 0.0868 0.0132 -0.0384 130 VAL c CB +33304 C CG1 . VAL U 112 ? 1.2014 0.8644 0.7624 0.0851 0.0095 -0.0402 130 VAL c CG1 +33305 C CG2 . VAL U 112 ? 1.1867 0.8602 0.7653 0.0837 0.0106 -0.0380 130 VAL c CG2 +33306 N N . TYR U 113 ? 1.1196 0.7938 0.6819 0.0940 0.0232 -0.0366 131 TYR c N +33307 C CA . TYR U 113 ? 1.2759 0.9473 0.8297 0.0964 0.0259 -0.0367 131 TYR c CA +33308 C C . TYR U 113 ? 1.3897 1.0685 0.9481 0.0950 0.0276 -0.0342 131 TYR c C +33309 O O . TYR U 113 ? 1.1626 0.8387 0.7152 0.0939 0.0264 -0.0342 131 TYR c O +33310 C CB . TYR U 113 ? 1.2582 0.9281 0.8086 0.1014 0.0308 -0.0374 131 TYR c CB +33311 C CG . TYR U 113 ? 1.3085 0.9784 0.8529 0.1037 0.0347 -0.0368 131 TYR c CG +33312 C CD1 . TYR U 113 ? 1.4071 1.0687 0.9398 0.1043 0.0334 -0.0384 131 TYR c CD1 +33313 C CD2 . TYR U 113 ? 1.3038 0.9820 0.8542 0.1051 0.0396 -0.0346 131 TYR c CD2 +33314 C CE1 . TYR U 113 ? 1.3600 1.0211 0.8867 0.1064 0.0370 -0.0378 131 TYR c CE1 +33315 C CE2 . TYR U 113 ? 1.3047 0.9826 0.8494 0.1070 0.0433 -0.0340 131 TYR c CE2 +33316 C CZ . TYR U 113 ? 1.4552 1.1245 0.9879 0.1077 0.0421 -0.0356 131 TYR c CZ +33317 O OH . TYR U 113 ? 1.3663 1.0350 0.8930 0.1096 0.0459 -0.0349 131 TYR c OH +33318 N N . HIS U 114 ? 1.1364 0.8244 0.7050 0.0949 0.0306 -0.0321 132 HIS c N +33319 C CA . HIS U 114 ? 1.1930 0.8878 0.7657 0.0936 0.0326 -0.0297 132 HIS c CA +33320 C C . HIS U 114 ? 1.1684 0.8647 0.7440 0.0892 0.0282 -0.0289 132 HIS c C +33321 O O . HIS U 114 ? 1.1770 0.8757 0.7520 0.0881 0.0288 -0.0275 132 HIS c O +33322 C CB . HIS U 114 ? 1.0895 0.7938 0.6726 0.0944 0.0366 -0.0278 132 HIS c CB +33323 C CG . HIS U 114 ? 1.2642 0.9693 0.8449 0.0988 0.0421 -0.0279 132 HIS c CG +33324 N ND1 . HIS U 114 ? 1.1911 0.8971 0.7677 0.1001 0.0460 -0.0269 132 HIS c ND1 +33325 C CD2 . HIS U 114 ? 1.1642 0.8697 0.7463 0.1021 0.0446 -0.0287 132 HIS c CD2 +33326 C CE1 . HIS U 114 ? 1.3054 1.0127 0.8813 0.1040 0.0507 -0.0273 132 HIS c CE1 +33327 N NE2 . HIS U 114 ? 1.2367 0.9437 0.8159 0.1053 0.0499 -0.0284 132 HIS c NE2 +33328 N N . ALA U 115 ? 1.1663 0.8606 0.7442 0.0867 0.0236 -0.0300 133 ALA c N +33329 C CA . ALA U 115 ? 1.1926 0.8889 0.7742 0.0825 0.0193 -0.0293 133 ALA c CA +33330 C C . ALA U 115 ? 1.2872 0.9763 0.8592 0.0816 0.0158 -0.0308 133 ALA c C +33331 O O . ALA U 115 ? 1.2291 0.9203 0.8021 0.0792 0.0138 -0.0298 133 ALA c O +33332 C CB . ALA U 115 ? 1.0565 0.7546 0.6456 0.0800 0.0161 -0.0296 133 ALA c CB +33333 N N A ILE U 116 ? 1.3122 0.9925 0.8747 0.0835 0.0149 -0.0333 134 ILE c N +33334 N N B ILE U 116 ? 1.3118 0.9922 0.8744 0.0835 0.0148 -0.0333 134 ILE c N +33335 C CA A ILE U 116 ? 1.4057 1.0789 0.9594 0.0823 0.0108 -0.0350 134 ILE c CA +33336 C CA B ILE U 116 ? 1.4057 1.0788 0.9593 0.0824 0.0109 -0.0350 134 ILE c CA +33337 C C A ILE U 116 ? 1.3372 1.0025 0.8785 0.0858 0.0126 -0.0366 134 ILE c C +33338 C C B ILE U 116 ? 1.3560 1.0232 0.8982 0.0859 0.0135 -0.0359 134 ILE c C +33339 O O A ILE U 116 ? 1.4065 1.0656 0.9397 0.0852 0.0094 -0.0381 134 ILE c O +33340 O O B ILE U 116 ? 1.2991 0.9633 0.8350 0.0853 0.0118 -0.0360 134 ILE c O +33341 C CB A ILE U 116 ? 1.3623 1.0316 0.9167 0.0797 0.0056 -0.0370 134 ILE c CB +33342 C CB B ILE U 116 ? 1.3371 1.0045 0.8891 0.0809 0.0065 -0.0375 134 ILE c CB +33343 C CG1 A ILE U 116 ? 1.2940 0.9574 0.8446 0.0821 0.0065 -0.0390 134 ILE c CG1 +33344 C CG1 B ILE U 116 ? 1.2743 0.9475 0.8369 0.0769 0.0034 -0.0366 134 ILE c CG1 +33345 C CG2 A ILE U 116 ? 1.1862 0.8630 0.7525 0.0760 0.0036 -0.0355 134 ILE c CG2 +33346 C CG2 B ILE U 116 ? 1.2307 0.8896 0.7720 0.0805 0.0028 -0.0398 134 ILE c CG2 +33347 C CD1 A ILE U 116 ? 1.3809 1.0394 0.9310 0.0795 0.0017 -0.0412 134 ILE c CD1 +33348 C CD1 B ILE U 116 ? 1.4767 1.1448 1.0385 0.0748 -0.0009 -0.0388 134 ILE c CD1 +33349 N N . ARG U 117 ? 1.3338 0.9994 0.8734 0.0896 0.0177 -0.0363 135 ARG c N +33350 C CA . ARG U 117 ? 1.2056 0.8643 0.7336 0.0930 0.0200 -0.0376 135 ARG c CA +33351 C C . ARG U 117 ? 1.2628 0.9257 0.7904 0.0953 0.0255 -0.0355 135 ARG c C +33352 O O . ARG U 117 ? 1.3903 1.0490 0.9091 0.0966 0.0263 -0.0358 135 ARG c O +33353 C CB . ARG U 117 ? 1.4549 1.1077 0.9786 0.0960 0.0210 -0.0398 135 ARG c CB +33354 C CG . ARG U 117 ? 1.6127 1.2565 1.1231 0.0992 0.0221 -0.0417 135 ARG c CG +33355 C CD . ARG U 117 ? 1.5591 1.1961 1.0614 0.0971 0.0171 -0.0433 135 ARG c CD +33356 N NE . ARG U 117 ? 1.7297 1.3614 1.2208 0.0997 0.0190 -0.0438 135 ARG c NE +33357 C CZ . ARG U 117 ? 2.0001 1.6236 1.4809 0.0995 0.0155 -0.0459 135 ARG c CZ +33358 N NH1 . ARG U 117 ? 1.7752 1.3950 1.2555 0.0966 0.0099 -0.0477 135 ARG c NH1 +33359 N NH2 . ARG U 117 ? 2.0177 1.6368 1.4884 0.1021 0.0178 -0.0461 135 ARG c NH2 +33360 N N . GLY U 118 ? 1.2484 0.9195 0.7854 0.0959 0.0293 -0.0336 136 GLY c N +33361 C CA . GLY U 118 ? 1.0730 0.7479 0.6097 0.0984 0.0351 -0.0320 136 GLY c CA +33362 C C . GLY U 118 ? 1.1882 0.8672 0.7263 0.0963 0.0354 -0.0298 136 GLY c C +33363 O O . GLY U 118 ? 1.2505 0.9290 0.7892 0.0931 0.0310 -0.0296 136 GLY c O +33364 N N . PRO U 119 ? 1.1556 0.8386 0.6943 0.0981 0.0408 -0.0281 137 PRO c N +33365 C CA . PRO U 119 ? 1.1290 0.8157 0.6687 0.0963 0.0418 -0.0258 137 PRO c CA +33366 C C . PRO U 119 ? 1.4243 1.1185 0.9755 0.0924 0.0393 -0.0241 137 PRO c C +33367 O O . PRO U 119 ? 1.2459 0.9466 0.8071 0.0920 0.0403 -0.0234 137 PRO c O +33368 C CB . PRO U 119 ? 1.1995 0.8899 0.7395 0.0990 0.0487 -0.0245 137 PRO c CB +33369 C CG . PRO U 119 ? 1.2043 0.8966 0.7484 0.1015 0.0510 -0.0255 137 PRO c CG +33370 C CD . PRO U 119 ? 1.2475 0.9322 0.7864 0.1019 0.0465 -0.0282 137 PRO c CD +33371 N N . GLU U 120 ? 1.1665 0.8599 0.7161 0.0898 0.0360 -0.0233 138 GLU c N +33372 C CA . GLU U 120 ? 1.1780 0.8778 0.7375 0.0861 0.0331 -0.0218 138 GLU c CA +33373 C C . GLU U 120 ? 1.1891 0.8977 0.7572 0.0855 0.0375 -0.0190 138 GLU c C +33374 O O . GLU U 120 ? 1.2122 0.9278 0.7911 0.0833 0.0366 -0.0179 138 GLU c O +33375 C CB . GLU U 120 ? 1.1782 0.8740 0.7324 0.0839 0.0286 -0.0218 138 GLU c CB +33376 C CG . GLU U 120 ? 1.3057 1.0065 0.8686 0.0801 0.0245 -0.0209 138 GLU c CG +33377 C CD . GLU U 120 ? 1.4219 1.1169 0.9794 0.0784 0.0184 -0.0226 138 GLU c CD +33378 O OE1 . GLU U 120 ? 1.2579 0.9479 0.8120 0.0789 0.0158 -0.0250 138 GLU c OE1 +33379 O OE2 . GLU U 120 ? 1.4252 1.1208 0.9820 0.0766 0.0162 -0.0215 138 GLU c OE2 +33380 N N . THR U 121 ? 1.2574 0.9660 0.8211 0.0874 0.0423 -0.0179 139 THR c N +33381 C CA . THR U 121 ? 1.1934 0.9101 0.7647 0.0873 0.0473 -0.0156 139 THR c CA +33382 C C . THR U 121 ? 1.2962 1.0127 0.8647 0.0911 0.0529 -0.0162 139 THR c C +33383 O O . THR U 121 ? 1.4851 1.1943 1.0439 0.0938 0.0532 -0.0180 139 THR c O +33384 C CB . THR U 121 ? 1.2908 1.0083 0.8598 0.0858 0.0484 -0.0135 139 THR c CB +33385 O OG1 . THR U 121 ? 1.4367 1.1463 0.9929 0.0880 0.0494 -0.0142 139 THR c OG1 +33386 C CG2 . THR U 121 ? 1.0744 0.7930 0.6471 0.0822 0.0431 -0.0128 139 THR c CG2 +33387 N N . LEU U 122 ? 1.2280 0.9526 0.8052 0.0913 0.0573 -0.0146 140 LEU c N +33388 C CA . LEU U 122 ? 1.2419 0.9677 0.8182 0.0948 0.0628 -0.0151 140 LEU c CA +33389 C C . LEU U 122 ? 1.3046 1.0332 0.8794 0.0955 0.0685 -0.0133 140 LEU c C +33390 O O . LEU U 122 ? 1.2461 0.9747 0.8182 0.0986 0.0733 -0.0139 140 LEU c O +33391 C CB . LEU U 122 ? 1.1536 0.8868 0.7413 0.0951 0.0638 -0.0152 140 LEU c CB +33392 C CG . LEU U 122 ? 1.2436 0.9750 0.8341 0.0946 0.0589 -0.0168 140 LEU c CG +33393 C CD1 . LEU U 122 ? 1.0723 0.8115 0.6739 0.0952 0.0605 -0.0165 140 LEU c CD1 +33394 C CD2 . LEU U 122 ? 1.1500 0.8718 0.7296 0.0972 0.0574 -0.0194 140 LEU c CD2 +33395 N N . GLU U 123 ? 1.1016 0.8326 0.6782 0.0926 0.0682 -0.0113 141 GLU c N +33396 C CA . GLU U 123 ? 1.3449 1.0796 0.9220 0.0927 0.0739 -0.0093 141 GLU c CA +33397 C C . GLU U 123 ? 1.5839 1.3113 1.1481 0.0955 0.0769 -0.0099 141 GLU c C +33398 O O . GLU U 123 ? 1.2968 1.0267 0.8604 0.0969 0.0829 -0.0090 141 GLU c O +33399 C CB . GLU U 123 ? 1.2101 0.9483 0.7917 0.0890 0.0724 -0.0069 141 GLU c CB +33400 C CG . GLU U 123 ? 1.1125 0.8595 0.7079 0.0863 0.0707 -0.0059 141 GLU c CG +33401 C CD . GLU U 123 ? 1.2370 0.9826 0.8352 0.0858 0.0652 -0.0077 141 GLU c CD +33402 O OE1 . GLU U 123 ? 1.2529 0.9919 0.8446 0.0851 0.0604 -0.0087 141 GLU c OE1 +33403 O OE2 . GLU U 123 ? 1.1883 0.9393 0.7950 0.0862 0.0656 -0.0081 141 GLU c OE2 +33404 N N . GLU U 124 ? 1.3483 1.0665 0.9019 0.0962 0.0730 -0.0114 142 GLU c N +33405 C CA . GLU U 124 ? 1.6507 1.3615 1.1916 0.0991 0.0759 -0.0122 142 GLU c CA +33406 C C . GLU U 124 ? 1.6157 1.3248 1.1542 0.1029 0.0784 -0.0143 142 GLU c C +33407 O O . GLU U 124 ? 1.6772 1.3846 1.2100 0.1056 0.0836 -0.0144 142 GLU c O +33408 C CB . GLU U 124 ? 1.5829 1.2843 1.1127 0.0986 0.0709 -0.0131 142 GLU c CB +33409 C CG . GLU U 124 ? 1.8972 1.5980 1.4308 0.0962 0.0639 -0.0141 142 GLU c CG +33410 C CD . GLU U 124 ? 1.9332 1.6379 1.4724 0.0925 0.0614 -0.0119 142 GLU c CD +33411 O OE1 . GLU U 124 ? 2.0202 1.7234 1.5544 0.0921 0.0633 -0.0103 142 GLU c OE1 +33412 O OE2 . GLU U 124 ? 1.8543 1.5636 1.4027 0.0901 0.0578 -0.0118 142 GLU c OE2 +33413 N N . TYR U 125 ? 1.2777 0.9869 0.8204 0.1031 0.0749 -0.0160 143 TYR c N +33414 C CA . TYR U 125 ? 1.2520 0.9583 0.7913 0.1069 0.0767 -0.0182 143 TYR c CA +33415 C C . TYR U 125 ? 1.4050 1.1192 0.9519 0.1088 0.0829 -0.0176 143 TYR c C +33416 O O . TYR U 125 ? 1.5755 1.2872 1.1172 0.1125 0.0866 -0.0189 143 TYR c O +33417 C CB . TYR U 125 ? 1.2937 0.9976 0.8352 0.1065 0.0713 -0.0202 143 TYR c CB +33418 C CG . TYR U 125 ? 1.6918 1.3949 1.2332 0.1102 0.0733 -0.0221 143 TYR c CG +33419 C CD1 . TYR U 125 ? 1.5066 1.2011 1.0363 0.1136 0.0742 -0.0242 143 TYR c CD1 +33420 C CD2 . TYR U 125 ? 1.4552 1.1660 1.0080 0.1104 0.0744 -0.0218 143 TYR c CD2 +33421 C CE1 . TYR U 125 ? 1.9222 1.6157 1.4516 0.1171 0.0761 -0.0260 143 TYR c CE1 +33422 C CE2 . TYR U 125 ? 1.5623 1.2721 1.1148 0.1140 0.0762 -0.0236 143 TYR c CE2 +33423 C CZ . TYR U 125 ? 1.7485 1.4497 1.2893 0.1173 0.0771 -0.0257 143 TYR c CZ +33424 O OH . TYR U 125 ? 1.6084 1.3085 1.1488 0.1211 0.0789 -0.0274 143 TYR c OH +33425 N N . SER U 126 ? 1.3154 1.0391 0.8744 0.1065 0.0840 -0.0157 144 SER c N +33426 C CA . SER U 126 ? 1.2333 0.9653 0.8004 0.1081 0.0895 -0.0151 144 SER c CA +33427 C C . SER U 126 ? 1.3862 1.1276 0.9643 0.1048 0.0909 -0.0125 144 SER c C +33428 O O . SER U 126 ? 1.5042 1.2483 1.0889 0.1017 0.0865 -0.0118 144 SER c O +33429 C CB . SER U 126 ? 1.2963 1.0303 0.8689 0.1102 0.0884 -0.0168 144 SER c CB +33430 O OG . SER U 126 ? 1.4202 1.1635 1.0024 0.1113 0.0932 -0.0161 144 SER c OG +33431 N N . SER U 127 ? 1.3719 1.1183 0.9521 0.1054 0.0970 -0.0112 145 SER c N +33432 C CA . SER U 127 ? 1.3843 1.1404 0.9759 0.1024 0.0989 -0.0090 145 SER c CA +33433 C C . SER U 127 ? 1.5466 1.3109 1.1507 0.1026 0.0983 -0.0094 145 SER c C +33434 O O . SER U 127 ? 1.3642 1.1363 0.9786 0.0997 0.0981 -0.0078 145 SER c O +33435 C CB . SER U 127 ? 1.4281 1.1876 1.0189 0.1031 0.1059 -0.0077 145 SER c CB +33436 O OG . SER U 127 ? 1.8450 1.6088 1.4391 0.1064 0.1104 -0.0088 145 SER c OG +33437 N N . PHE U 128 ? 1.2612 1.0239 0.8644 0.1060 0.0982 -0.0115 146 PHE c N +33438 C CA . PHE U 128 ? 1.4608 1.2308 1.0751 0.1065 0.0977 -0.0119 146 PHE c CA +33439 C C . PHE U 128 ? 1.1920 0.9615 0.8108 0.1039 0.0911 -0.0120 146 PHE c C +33440 O O . PHE U 128 ? 1.2409 1.0176 0.8698 0.1010 0.0901 -0.0106 146 PHE c O +33441 C CB . PHE U 128 ? 1.2979 1.0659 0.9092 0.1113 0.0998 -0.0142 146 PHE c CB +33442 C CG . PHE U 128 ? 1.4418 1.2170 1.0640 0.1124 0.0993 -0.0147 146 PHE c CG +33443 C CD1 . PHE U 128 ? 1.3536 1.1394 0.9862 0.1124 0.1036 -0.0137 146 PHE c CD1 +33444 C CD2 . PHE U 128 ? 1.3981 1.1694 1.0200 0.1132 0.0946 -0.0163 146 PHE c CD2 +33445 C CE1 . PHE U 128 ? 1.3652 1.1575 1.0076 0.1135 0.1030 -0.0142 146 PHE c CE1 +33446 C CE2 . PHE U 128 ? 1.3542 1.1316 0.9855 0.1143 0.0941 -0.0167 146 PHE c CE2 +33447 C CZ . PHE U 128 ? 1.3012 1.0892 0.9428 0.1146 0.0982 -0.0157 146 PHE c CZ +33448 N N . PHE U 129 ? 1.1256 0.8863 0.7365 0.1046 0.0867 -0.0137 147 PHE c N +33449 C CA . PHE U 129 ? 1.0777 0.8373 0.6922 0.1022 0.0806 -0.0140 147 PHE c CA +33450 C C . PHE U 129 ? 1.3395 1.0987 0.9543 0.0980 0.0773 -0.0124 147 PHE c C +33451 O O . PHE U 129 ? 1.1935 0.9545 0.8142 0.0954 0.0729 -0.0121 147 PHE c O +33452 C CB . PHE U 129 ? 1.1008 0.8510 0.7065 0.1043 0.0771 -0.0165 147 PHE c CB +33453 C CG . PHE U 129 ? 1.1938 0.9439 0.7995 0.1085 0.0795 -0.0182 147 PHE c CG +33454 C CD1 . PHE U 129 ? 1.3954 1.1501 1.0098 0.1090 0.0781 -0.0186 147 PHE c CD1 +33455 C CD2 . PHE U 129 ? 1.2896 1.0349 0.8863 0.1123 0.0832 -0.0194 147 PHE c CD2 +33456 C CE1 . PHE U 129 ? 1.2795 1.0340 0.8938 0.1131 0.0802 -0.0202 147 PHE c CE1 +33457 C CE2 . PHE U 129 ? 1.3146 1.0599 0.9113 0.1164 0.0854 -0.0210 147 PHE c CE2 +33458 C CZ . PHE U 129 ? 1.5123 1.2622 1.1178 0.1168 0.0839 -0.0214 147 PHE c CZ +33459 N N . GLY U 130 ? 1.1576 0.9142 0.7660 0.0973 0.0794 -0.0113 148 GLY c N +33460 C CA . GLY U 130 ? 1.0418 0.7986 0.6510 0.0935 0.0767 -0.0096 148 GLY c CA +33461 C C . GLY U 130 ? 1.1235 0.8903 0.7444 0.0909 0.0788 -0.0074 148 GLY c C +33462 O O . GLY U 130 ? 1.1906 0.9639 0.8171 0.0922 0.0836 -0.0070 148 GLY c O +33463 N N . TYR U 131 ? 1.0862 0.8542 0.7105 0.0873 0.0751 -0.0061 149 TYR c N +33464 C CA . TYR U 131 ? 1.1555 0.9324 0.7909 0.0844 0.0762 -0.0041 149 TYR c CA +33465 C C . TYR U 131 ? 1.0807 0.8559 0.7151 0.0809 0.0728 -0.0026 149 TYR c C +33466 O O . TYR U 131 ? 1.1058 0.8743 0.7339 0.0803 0.0681 -0.0035 149 TYR c O +33467 C CB . TYR U 131 ? 1.1672 0.9505 0.8136 0.0840 0.0743 -0.0045 149 TYR c CB +33468 C CG . TYR U 131 ? 1.0404 0.8195 0.6863 0.0829 0.0679 -0.0057 149 TYR c CG +33469 C CD1 . TYR U 131 ? 0.9868 0.7675 0.6372 0.0792 0.0638 -0.0046 149 TYR c CD1 +33470 C CD2 . TYR U 131 ? 1.0727 0.8462 0.7135 0.0855 0.0661 -0.0079 149 TYR c CD2 +33471 C CE1 . TYR U 131 ? 0.9324 0.7094 0.5824 0.0781 0.0581 -0.0058 149 TYR c CE1 +33472 C CE2 . TYR U 131 ? 1.1435 0.9130 0.7837 0.0843 0.0605 -0.0091 149 TYR c CE2 +33473 C CZ . TYR U 131 ? 1.0424 0.8138 0.6873 0.0806 0.0565 -0.0080 149 TYR c CZ +33474 O OH . TYR U 131 ? 1.0587 0.8262 0.7030 0.0794 0.0511 -0.0092 149 TYR c OH +33475 N N . ASP U 132 ? 1.0042 0.7856 0.6450 0.0786 0.0751 -0.0005 150 ASP c N +33476 C CA . ASP U 132 ? 1.0961 0.8780 0.7390 0.0750 0.0720 0.0011 150 ASP c CA +33477 C C . ASP U 132 ? 1.2819 1.0727 0.9379 0.0727 0.0712 0.0020 150 ASP c C +33478 O O . ASP U 132 ? 1.0501 0.8480 0.7132 0.0730 0.0755 0.0027 150 ASP c O +33479 C CB . ASP U 132 ? 1.0802 0.8612 0.7185 0.0741 0.0756 0.0030 150 ASP c CB +33480 C CG . ASP U 132 ? 1.3043 1.0854 0.9443 0.0706 0.0725 0.0047 150 ASP c CG +33481 O OD1 . ASP U 132 ? 1.4425 1.2240 1.0864 0.0689 0.0673 0.0043 150 ASP c OD1 +33482 O OD2 . ASP U 132 ? 1.5662 1.3469 1.2034 0.0695 0.0753 0.0064 150 ASP c OD2 +33483 N N . TRP U 133 ? 1.1242 0.9148 0.7836 0.0705 0.0658 0.0019 151 TRP c N +33484 C CA . TRP U 133 ? 1.2738 1.0723 0.9453 0.0682 0.0647 0.0028 151 TRP c CA +33485 C C . TRP U 133 ? 1.2458 1.0512 0.9235 0.0665 0.0688 0.0049 151 TRP c C +33486 O O . TRP U 133 ? 1.0160 0.8291 0.7036 0.0659 0.0704 0.0053 151 TRP c O +33487 C CB . TRP U 133 ? 0.9038 0.7007 0.5769 0.0656 0.0587 0.0028 151 TRP c CB +33488 C CG . TRP U 133 ? 0.9927 0.7836 0.6611 0.0666 0.0542 0.0007 151 TRP c CG +33489 C CD1 . TRP U 133 ? 1.0176 0.8011 0.6778 0.0662 0.0503 0.0000 151 TRP c CD1 +33490 C CD2 . TRP U 133 ? 0.8793 0.6711 0.5513 0.0680 0.0528 -0.0009 151 TRP c CD2 +33491 N NE1 . TRP U 133 ? 1.0109 0.7907 0.6694 0.0671 0.0468 -0.0020 151 TRP c NE1 +33492 C CE2 . TRP U 133 ? 1.0112 0.7957 0.6767 0.0682 0.0483 -0.0025 151 TRP c CE2 +33493 C CE3 . TRP U 133 ? 0.9862 0.7841 0.6661 0.0691 0.0550 -0.0011 151 TRP c CE3 +33494 C CZ2 . TRP U 133 ? 0.9778 0.7607 0.6443 0.0694 0.0460 -0.0043 151 TRP c CZ2 +33495 C CZ3 . TRP U 133 ? 0.9470 0.7432 0.6278 0.0706 0.0526 -0.0028 151 TRP c CZ3 +33496 C CH2 . TRP U 133 ? 1.0591 0.8476 0.7330 0.0706 0.0482 -0.0044 151 TRP c CH2 +33497 N N . LYS U 134 ? 1.0268 0.8292 0.6985 0.0656 0.0708 0.0063 152 LYS c N +33498 C CA . LYS U 134 ? 1.0718 0.8801 0.7490 0.0637 0.0747 0.0083 152 LYS c CA +33499 C C . LYS U 134 ? 1.0704 0.8830 0.7494 0.0656 0.0810 0.0083 152 LYS c C +33500 O O . LYS U 134 ? 1.0603 0.8788 0.7451 0.0639 0.0846 0.0099 152 LYS c O +33501 C CB . LYS U 134 ? 1.0556 0.8589 0.7255 0.0621 0.0747 0.0099 152 LYS c CB +33502 C CG . LYS U 134 ? 1.3420 1.1446 1.0141 0.0592 0.0695 0.0107 152 LYS c CG +33503 C CD . LYS U 134 ? 1.4512 1.2467 1.1164 0.0601 0.0641 0.0090 152 LYS c CD +33504 C CE . LYS U 134 ? 1.9277 1.7163 1.5837 0.0594 0.0623 0.0099 152 LYS c CE +33505 N NZ . LYS U 134 ? 1.8770 1.6685 1.5380 0.0561 0.0605 0.0117 152 LYS c NZ +33506 N N . ASP U 135 ? 0.9213 0.7313 0.5958 0.0690 0.0825 0.0066 153 ASP c N +33507 C CA . ASP U 135 ? 1.0639 0.8778 0.7398 0.0711 0.0886 0.0064 153 ASP c CA +33508 C C . ASP U 135 ? 0.9367 0.7597 0.6247 0.0712 0.0893 0.0060 153 ASP c C +33509 O O . ASP U 135 ? 1.0192 0.8420 0.7083 0.0735 0.0876 0.0043 153 ASP c O +33510 C CB . ASP U 135 ? 1.0946 0.9017 0.7603 0.0748 0.0898 0.0047 153 ASP c CB +33511 C CG . ASP U 135 ? 1.2017 1.0122 0.8675 0.0772 0.0965 0.0045 153 ASP c CG +33512 O OD1 . ASP U 135 ? 1.0508 0.8701 0.7263 0.0763 0.0998 0.0053 153 ASP c OD1 +33513 O OD2 . ASP U 135 ? 1.1184 0.9227 0.7745 0.0800 0.0984 0.0035 153 ASP c OD2 +33514 N N . LYS U 136 ? 0.9048 0.7356 0.6016 0.0689 0.0919 0.0075 154 LYS c N +33515 C CA . LYS U 136 ? 0.8961 0.7359 0.6050 0.0686 0.0920 0.0073 154 LYS c CA +33516 C C . LYS U 136 ? 1.2032 1.0466 0.9139 0.0722 0.0959 0.0058 154 LYS c C +33517 O O . LYS U 136 ? 1.0917 0.9398 0.8096 0.0734 0.0946 0.0048 154 LYS c O +33518 C CB . LYS U 136 ? 0.9580 0.8051 0.6753 0.0652 0.0941 0.0092 154 LYS c CB +33519 C CG . LYS U 136 ? 1.0356 0.8797 0.7518 0.0616 0.0903 0.0108 154 LYS c CG +33520 C CD . LYS U 136 ? 1.0180 0.8697 0.7436 0.0582 0.0921 0.0125 154 LYS c CD +33521 C CE . LYS U 136 ? 1.0975 0.9456 0.8204 0.0550 0.0895 0.0142 154 LYS c CE +33522 N NZ . LYS U 136 ? 1.1210 0.9603 0.8317 0.0556 0.0901 0.0146 154 LYS c NZ +33523 N N . ASN U 137 ? 1.0608 0.9019 0.7651 0.0741 0.1007 0.0057 155 ASN c N +33524 C CA . ASN U 137 ? 1.0820 0.9260 0.7873 0.0778 0.1044 0.0042 155 ASN c CA +33525 C C . ASN U 137 ? 1.0592 0.8969 0.7587 0.0811 0.1010 0.0021 155 ASN c C +33526 O O . ASN U 137 ? 1.0490 0.8905 0.7537 0.0834 0.1007 0.0008 155 ASN c O +33527 C CB . ASN U 137 ? 1.2262 1.0691 0.9257 0.0789 0.1105 0.0046 155 ASN c CB +33528 C CG . ASN U 137 ? 1.2284 1.0757 0.9303 0.0826 0.1150 0.0032 155 ASN c CG +33529 O OD1 . ASN U 137 ? 1.5082 1.3645 1.2190 0.0822 0.1189 0.0036 155 ASN c OD1 +33530 N ND2 . ASN U 137 ? 1.5047 1.3458 1.1988 0.0863 0.1144 0.0014 155 ASN c ND2 +33531 N N . LYS U 138 ? 1.0124 0.8404 0.7009 0.0814 0.0985 0.0018 156 LYS c N +33532 C CA . LYS U 138 ? 1.0417 0.8631 0.7241 0.0842 0.0951 -0.0002 156 LYS c CA +33533 C C . LYS U 138 ? 1.0636 0.8872 0.7530 0.0833 0.0900 -0.0008 156 LYS c C +33534 O O . LYS U 138 ? 1.0106 0.8329 0.6998 0.0861 0.0886 -0.0025 156 LYS c O +33535 C CB . LYS U 138 ? 0.9856 0.7964 0.6554 0.0840 0.0927 -0.0004 156 LYS c CB +33536 C CG . LYS U 138 ? 1.0221 0.8254 0.6849 0.0867 0.0892 -0.0026 156 LYS c CG +33537 C CD . LYS U 138 ? 1.2049 1.0091 0.8668 0.0910 0.0929 -0.0042 156 LYS c CD +33538 C CE . LYS U 138 ? 1.3547 1.1488 1.0044 0.0939 0.0916 -0.0061 156 LYS c CE +33539 N NZ . LYS U 138 ? 1.2873 1.0753 0.9265 0.0938 0.0937 -0.0055 156 LYS c NZ +33540 N N . MET U 139 ? 1.0490 0.8755 0.7442 0.0796 0.0871 0.0006 157 MET c N +33541 C CA . MET U 139 ? 0.9969 0.8252 0.6983 0.0786 0.0823 0.0002 157 MET c CA +33542 C C . MET U 139 ? 1.1098 0.9464 0.8212 0.0801 0.0841 -0.0003 157 MET c C +33543 O O . MET U 139 ? 0.9836 0.8194 0.6963 0.0820 0.0817 -0.0018 157 MET c O +33544 C CB . MET U 139 ? 1.0015 0.8310 0.7067 0.0743 0.0790 0.0018 157 MET c CB +33545 C CG . MET U 139 ? 0.9493 0.7700 0.6450 0.0730 0.0755 0.0019 157 MET c CG +33546 S SD . MET U 139 ? 1.1888 1.0010 0.8776 0.0748 0.0703 -0.0003 157 MET c SD +33547 C CE . MET U 139 ? 0.9720 0.7771 0.6487 0.0786 0.0737 -0.0016 157 MET c CE +33548 N N . THR U 140 ? 0.9428 0.7876 0.6613 0.0793 0.0885 0.0008 158 THR c N +33549 C CA . THR U 140 ? 0.9759 0.8292 0.7041 0.0809 0.0903 0.0002 158 THR c CA +33550 C C . THR U 140 ? 1.0585 0.9101 0.7828 0.0856 0.0928 -0.0017 158 THR c C +33551 O O . THR U 140 ? 1.1431 0.9996 0.8738 0.0878 0.0928 -0.0027 158 THR c O +33552 C CB . THR U 140 ? 1.0196 0.8820 0.7560 0.0790 0.0947 0.0017 158 THR c CB +33553 O OG1 . THR U 140 ? 1.1595 1.0196 0.8895 0.0791 0.0991 0.0023 158 THR c OG1 +33554 C CG2 . THR U 140 ? 0.9749 0.8404 0.7174 0.0745 0.0919 0.0034 158 THR c CG2 +33555 N N . THR U 141 ? 1.1378 0.9823 0.8516 0.0874 0.0946 -0.0023 159 THR c N +33556 C CA . THR U 141 ? 1.1625 1.0048 0.8720 0.0921 0.0970 -0.0041 159 THR c CA +33557 C C . THR U 141 ? 1.0193 0.8550 0.7245 0.0940 0.0922 -0.0058 159 THR c C +33558 O O . THR U 141 ? 1.0070 0.8443 0.7144 0.0974 0.0927 -0.0073 159 THR c O +33559 C CB . THR U 141 ? 1.1696 1.0066 0.8691 0.0932 0.1009 -0.0041 159 THR c CB +33560 O OG1 . THR U 141 ? 1.0645 0.9089 0.7692 0.0921 0.1062 -0.0028 159 THR c OG1 +33561 C CG2 . THR U 141 ? 0.8080 0.6400 0.5003 0.0979 0.1023 -0.0061 159 THR c CG2 +33562 N N . ILE U 142 ? 0.9328 0.7610 0.6320 0.0920 0.0877 -0.0057 160 ILE c N +33563 C CA . ILE U 142 ? 1.0816 0.9041 0.7780 0.0931 0.0828 -0.0072 160 ILE c CA +33564 C C . ILE U 142 ? 1.1770 1.0060 0.8840 0.0924 0.0806 -0.0071 160 ILE c C +33565 O O . ILE U 142 ? 0.9856 0.8134 0.6931 0.0951 0.0790 -0.0085 160 ILE c O +33566 C CB . ILE U 142 ? 0.9599 0.7742 0.6488 0.0905 0.0784 -0.0069 160 ILE c CB +33567 C CG1 . ILE U 142 ? 1.0581 0.8649 0.7354 0.0917 0.0803 -0.0073 160 ILE c CG1 +33568 C CG2 . ILE U 142 ? 1.0956 0.9046 0.7827 0.0910 0.0733 -0.0084 160 ILE c CG2 +33569 C CD1 . ILE U 142 ? 1.0454 0.8447 0.7156 0.0892 0.0759 -0.0071 160 ILE c CD1 +33570 N N . LEU U 143 ? 1.0327 0.8687 0.7483 0.0890 0.0803 -0.0053 161 LEU c N +33571 C CA . LEU U 143 ? 1.1182 0.9612 0.8443 0.0883 0.0786 -0.0051 161 LEU c CA +33572 C C . LEU U 143 ? 1.1516 1.0005 0.8829 0.0921 0.0819 -0.0061 161 LEU c C +33573 O O . LEU U 143 ? 1.0465 0.8968 0.7818 0.0937 0.0797 -0.0070 161 LEU c O +33574 C CB . LEU U 143 ? 0.9814 0.8312 0.7154 0.0841 0.0786 -0.0031 161 LEU c CB +33575 C CG . LEU U 143 ? 0.9638 0.8222 0.7096 0.0830 0.0776 -0.0026 161 LEU c CG +33576 C CD1 . LEU U 143 ? 0.9457 0.8006 0.6921 0.0823 0.0720 -0.0031 161 LEU c CD1 +33577 C CD2 . LEU U 143 ? 0.8029 0.6678 0.5554 0.0792 0.0789 -0.0006 161 LEU c CD2 +33578 N N . GLY U 144 ? 0.9858 0.8382 0.7167 0.0936 0.0872 -0.0060 162 GLY c N +33579 C CA . GLY U 144 ? 1.0287 0.8870 0.7644 0.0974 0.0907 -0.0071 162 GLY c CA +33580 C C . GLY U 144 ? 1.0666 0.9186 0.7959 0.1019 0.0897 -0.0092 162 GLY c C +33581 O O . GLY U 144 ? 1.0310 0.8867 0.7655 0.1046 0.0895 -0.0102 162 GLY c O +33582 N N . PHE U 145 ? 1.1115 0.9536 0.8293 0.1028 0.0891 -0.0099 163 PHE c N +33583 C CA . PHE U 145 ? 1.1736 1.0088 0.8846 0.1069 0.0879 -0.0120 163 PHE c CA +33584 C C . PHE U 145 ? 1.0211 0.8550 0.7355 0.1067 0.0829 -0.0125 163 PHE c C +33585 O O . PHE U 145 ? 1.0510 0.8849 0.7663 0.1104 0.0829 -0.0139 163 PHE c O +33586 C CB . PHE U 145 ? 1.0971 0.9212 0.7952 0.1070 0.0870 -0.0126 163 PHE c CB +33587 C CG . PHE U 145 ? 1.1782 1.0017 0.8708 0.1082 0.0921 -0.0125 163 PHE c CG +33588 C CD1 . PHE U 145 ? 1.1615 0.9918 0.8581 0.1110 0.0974 -0.0128 163 PHE c CD1 +33589 C CD2 . PHE U 145 ? 1.3058 1.1219 0.9889 0.1065 0.0915 -0.0121 163 PHE c CD2 +33590 C CE1 . PHE U 145 ? 1.2449 1.0744 0.9362 0.1120 0.1022 -0.0126 163 PHE c CE1 +33591 C CE2 . PHE U 145 ? 1.2915 1.1066 0.9690 0.1075 0.0962 -0.0119 163 PHE c CE2 +33592 C CZ . PHE U 145 ? 1.0804 0.9021 0.7619 0.1102 0.1017 -0.0121 163 PHE c CZ +33593 N N . HIS U 146 ? 1.0992 0.9318 0.8151 0.1026 0.0788 -0.0114 164 HIS c N +33594 C CA . HIS U 146 ? 1.1884 1.0185 0.9062 0.1021 0.0739 -0.0119 164 HIS c CA +33595 C C . HIS U 146 ? 0.9373 0.7766 0.6665 0.1026 0.0740 -0.0115 164 HIS c C +33596 O O . HIS U 146 ? 1.0126 0.8505 0.7430 0.1046 0.0718 -0.0125 164 HIS c O +33597 C CB . HIS U 146 ? 1.1040 0.9300 0.8198 0.0975 0.0698 -0.0109 164 HIS c CB +33598 C CG . HIS U 146 ? 1.2027 1.0185 0.9068 0.0974 0.0685 -0.0117 164 HIS c CG +33599 N ND1 . HIS U 146 ? 0.9887 0.8007 0.6894 0.0937 0.0657 -0.0109 164 HIS c ND1 +33600 C CD2 . HIS U 146 ? 1.1918 1.0004 0.8866 0.1008 0.0696 -0.0134 164 HIS c CD2 +33601 C CE1 . HIS U 146 ? 1.0221 0.8252 0.7122 0.0947 0.0649 -0.0120 164 HIS c CE1 +33602 N NE2 . HIS U 146 ? 1.0169 0.8176 0.7030 0.0989 0.0673 -0.0135 164 HIS c NE2 +33603 N N . LEU U 147 ? 1.0480 0.8966 0.7854 0.1008 0.0767 -0.0101 165 LEU c N +33604 C CA . LEU U 147 ? 0.9468 0.8048 0.6949 0.1018 0.0775 -0.0100 165 LEU c CA +33605 C C . LEU U 147 ? 1.1309 0.9892 0.8782 0.1072 0.0796 -0.0117 165 LEU c C +33606 O O . LEU U 147 ? 1.0087 0.8686 0.7601 0.1091 0.0775 -0.0124 165 LEU c O +33607 C CB . LEU U 147 ? 1.0410 0.9085 0.7968 0.0996 0.0811 -0.0085 165 LEU c CB +33608 C CG . LEU U 147 ? 1.0254 0.8953 0.7857 0.0943 0.0787 -0.0067 165 LEU c CG +33609 C CD1 . LEU U 147 ? 0.9423 0.8212 0.7096 0.0923 0.0827 -0.0053 165 LEU c CD1 +33610 C CD2 . LEU U 147 ? 1.0257 0.8976 0.7923 0.0934 0.0744 -0.0066 165 LEU c CD2 +33611 N N . ILE U 148 ? 1.1259 0.9823 0.8675 0.1099 0.0835 -0.0125 166 ILE c N +33612 C CA . ILE U 148 ? 0.8951 0.7519 0.6357 0.1153 0.0859 -0.0143 166 ILE c CA +33613 C C . ILE U 148 ? 0.9231 0.7713 0.6578 0.1176 0.0820 -0.0157 166 ILE c C +33614 O O . ILE U 148 ? 0.9742 0.8244 0.7121 0.1211 0.0816 -0.0167 166 ILE c O +33615 C CB . ILE U 148 ? 1.1050 0.9598 0.8390 0.1174 0.0907 -0.0148 166 ILE c CB +33616 C CG1 . ILE U 148 ? 1.1606 1.0253 0.9017 0.1158 0.0953 -0.0136 166 ILE c CG1 +33617 C CG2 . ILE U 148 ? 0.9202 0.7722 0.6500 0.1233 0.0925 -0.0169 166 ILE c CG2 +33618 C CD1 . ILE U 148 ? 1.1904 1.0524 0.9244 0.1164 0.0998 -0.0136 166 ILE c CD1 +33619 N N . VAL U 149 ? 1.0302 0.8686 0.7561 0.1158 0.0790 -0.0158 167 VAL c N +33620 C CA . VAL U 149 ? 1.0787 0.9083 0.7987 0.1174 0.0751 -0.0171 167 VAL c CA +33621 C C . VAL U 149 ? 1.1955 1.0286 0.9232 0.1163 0.0715 -0.0167 167 VAL c C +33622 O O . VAL U 149 ? 1.0679 0.8980 0.7947 0.1193 0.0698 -0.0178 167 VAL c O +33623 C CB . VAL U 149 ? 1.0407 0.8600 0.7508 0.1149 0.0723 -0.0173 167 VAL c CB +33624 C CG1 . VAL U 149 ? 1.1613 0.9716 0.8656 0.1160 0.0682 -0.0186 167 VAL c CG1 +33625 C CG2 . VAL U 149 ? 1.3641 1.1794 1.0658 0.1166 0.0759 -0.0179 167 VAL c CG2 +33626 N N . LEU U 150 ? 1.0265 0.8657 0.7617 0.1121 0.0703 -0.0149 168 LEU c N +33627 C CA . LEU U 150 ? 1.0127 0.8553 0.7552 0.1108 0.0670 -0.0144 168 LEU c CA +33628 C C . LEU U 150 ? 0.9279 0.7786 0.6782 0.1145 0.0689 -0.0149 168 LEU c C +33629 O O . LEU U 150 ? 1.0106 0.8601 0.7624 0.1164 0.0665 -0.0155 168 LEU c O +33630 C CB . LEU U 150 ? 0.9560 0.8033 0.7045 0.1055 0.0655 -0.0125 168 LEU c CB +33631 C CG . LEU U 150 ? 1.0879 0.9269 0.8294 0.1019 0.0621 -0.0122 168 LEU c CG +33632 C CD1 . LEU U 150 ? 0.9966 0.8402 0.7439 0.0969 0.0607 -0.0103 168 LEU c CD1 +33633 C CD2 . LEU U 150 ? 0.9397 0.7705 0.6766 0.1026 0.0579 -0.0132 168 LEU c CD2 +33634 N N . GLY U 151 ? 0.8869 0.7457 0.6420 0.1157 0.0734 -0.0147 169 GLY c N +33635 C CA . GLY U 151 ? 1.0607 0.9278 0.8235 0.1192 0.0754 -0.0152 169 GLY c CA +33636 C C . GLY U 151 ? 1.1439 1.0059 0.9014 0.1248 0.0757 -0.0172 169 GLY c C +33637 O O . GLY U 151 ? 1.1206 0.9862 0.8831 0.1278 0.0749 -0.0178 169 GLY c O +33638 N N . ILE U 152 ? 1.0563 0.9098 0.8035 0.1265 0.0768 -0.0182 170 ILE c N +33639 C CA . ILE U 152 ? 1.1817 1.0287 0.9225 0.1317 0.0767 -0.0201 170 ILE c CA +33640 C C . ILE U 152 ? 1.0600 0.9004 0.7987 0.1314 0.0716 -0.0204 170 ILE c C +33641 O O . ILE U 152 ? 1.1104 0.9494 0.8491 0.1355 0.0709 -0.0215 170 ILE c O +33642 C CB . ILE U 152 ? 1.0925 0.9311 0.8221 0.1330 0.0787 -0.0211 170 ILE c CB +33643 C CG1 . ILE U 152 ? 1.0711 0.9165 0.8028 0.1346 0.0844 -0.0211 170 ILE c CG1 +33644 C CG2 . ILE U 152 ? 0.9342 0.7633 0.6554 0.1374 0.0774 -0.0230 170 ILE c CG2 +33645 C CD1 . ILE U 152 ? 1.3069 1.1458 1.0292 0.1335 0.0863 -0.0212 170 ILE c CD1 +33646 N N . GLY U 153 ? 1.0926 0.9285 0.8293 0.1266 0.0681 -0.0193 171 GLY c N +33647 C CA . GLY U 153 ? 1.1798 1.0098 0.9150 0.1258 0.0634 -0.0195 171 GLY c CA +33648 C C . GLY U 153 ? 1.0894 0.9269 0.8343 0.1264 0.0621 -0.0189 171 GLY c C +33649 O O . GLY U 153 ? 1.0266 0.8603 0.7702 0.1290 0.0599 -0.0197 171 GLY c O +33650 N N . ALA U 154 ? 0.9915 0.8396 0.7460 0.1242 0.0635 -0.0176 172 ALA c N +33651 C CA . ALA U 154 ? 1.2149 1.0709 0.9789 0.1251 0.0625 -0.0172 172 ALA c CA +33652 C C . ALA U 154 ? 1.1477 1.0057 0.9125 0.1313 0.0645 -0.0187 172 ALA c C +33653 O O . ALA U 154 ? 1.1707 1.0283 0.9375 0.1336 0.0622 -0.0191 172 ALA c O +33654 C CB . ALA U 154 ? 0.8736 0.7408 0.6475 0.1218 0.0642 -0.0157 172 ALA c CB +33655 N N . LEU U 155 ? 1.1100 0.9697 0.8727 0.1342 0.0687 -0.0196 173 LEU c N +33656 C CA . LEU U 155 ? 0.9684 0.8308 0.7322 0.1403 0.0709 -0.0211 173 LEU c CA +33657 C C . LEU U 155 ? 0.9666 0.8178 0.7212 0.1440 0.0687 -0.0225 173 LEU c C +33658 O O . LEU U 155 ? 1.0371 0.8898 0.7935 0.1488 0.0688 -0.0236 173 LEU c O +33659 C CB . LEU U 155 ? 0.9681 0.8352 0.7320 0.1422 0.0762 -0.0216 173 LEU c CB +33660 C CG . LEU U 155 ? 1.0810 0.9598 0.8546 0.1389 0.0787 -0.0203 173 LEU c CG +33661 C CD1 . LEU U 155 ? 1.1552 1.0376 0.9277 0.1403 0.0842 -0.0207 173 LEU c CD1 +33662 C CD2 . LEU U 155 ? 0.9578 0.8471 0.7429 0.1398 0.0781 -0.0200 173 LEU c CD2 +33663 N N . LEU U 156 ? 0.9845 0.8248 0.7296 0.1418 0.0666 -0.0226 174 LEU c N +33664 C CA . LEU U 156 ? 0.8882 0.7176 0.6248 0.1449 0.0642 -0.0240 174 LEU c CA +33665 C C . LEU U 156 ? 1.1502 0.9796 0.8908 0.1451 0.0606 -0.0237 174 LEU c C +33666 O O . LEU U 156 ? 1.0766 0.9010 0.8136 0.1495 0.0596 -0.0248 174 LEU c O +33667 C CB . LEU U 156 ? 1.1165 0.9344 0.8428 0.1418 0.0623 -0.0242 174 LEU c CB +33668 C CG . LEU U 156 ? 1.2853 1.0994 1.0041 0.1425 0.0654 -0.0249 174 LEU c CG +33669 C CD1 . LEU U 156 ? 1.1251 0.9288 0.8351 0.1386 0.0627 -0.0249 174 LEU c CD1 +33670 C CD2 . LEU U 156 ? 1.0471 0.8576 0.7606 0.1488 0.0678 -0.0269 174 LEU c CD2 +33671 N N . LEU U 157 ? 1.1645 0.9991 0.9120 0.1406 0.0585 -0.0220 175 LEU c N +33672 C CA . LEU U 157 ? 1.0675 0.9031 0.8195 0.1407 0.0551 -0.0216 175 LEU c CA +33673 C C . LEU U 157 ? 1.0235 0.8675 0.7825 0.1456 0.0568 -0.0221 175 LEU c C +33674 O O . LEU U 157 ? 0.9321 0.7728 0.6899 0.1492 0.0550 -0.0228 175 LEU c O +33675 C CB . LEU U 157 ? 1.2092 1.0493 0.9675 0.1348 0.0530 -0.0197 175 LEU c CB +33676 C CG . LEU U 157 ? 1.0448 0.8864 0.8080 0.1347 0.0496 -0.0192 175 LEU c CG +33677 C CD1 . LEU U 157 ? 0.9148 0.7439 0.6691 0.1354 0.0463 -0.0198 175 LEU c CD1 +33678 C CD2 . LEU U 157 ? 1.0340 0.8815 0.8043 0.1291 0.0480 -0.0174 175 LEU c CD2 +33679 N N . VAL U 158 ? 0.9499 0.8047 0.7163 0.1460 0.0603 -0.0219 176 VAL c N +33680 C CA . VAL U 158 ? 0.9356 0.7995 0.7094 0.1507 0.0622 -0.0226 176 VAL c CA +33681 C C . VAL U 158 ? 1.3113 1.1693 1.0784 0.1571 0.0632 -0.0245 176 VAL c C +33682 O O . VAL U 158 ? 1.1942 1.0536 0.9636 0.1614 0.0621 -0.0251 176 VAL c O +33683 C CB . VAL U 158 ? 0.9482 0.8238 0.7298 0.1497 0.0663 -0.0222 176 VAL c CB +33684 C CG1 . VAL U 158 ? 0.9936 0.8790 0.7831 0.1547 0.0682 -0.0231 176 VAL c CG1 +33685 C CG2 . VAL U 158 ? 0.8938 0.7748 0.6817 0.1434 0.0652 -0.0203 176 VAL c CG2 +33686 N N . ALA U 159 ? 1.1209 0.9719 0.8793 0.1580 0.0652 -0.0254 177 ALA c N +33687 C CA . ALA U 159 ? 1.1500 0.9952 0.9016 0.1641 0.0666 -0.0272 177 ALA c CA +33688 C C . ALA U 159 ? 1.1654 1.0002 0.9107 0.1661 0.0626 -0.0278 177 ALA c C +33689 O O . ALA U 159 ? 1.1645 0.9985 0.9090 0.1717 0.0627 -0.0290 177 ALA c O +33690 C CB . ALA U 159 ? 0.9588 0.7977 0.7017 0.1640 0.0693 -0.0280 177 ALA c CB +33691 N N . LYS U 160 ? 1.0464 0.8730 0.7868 0.1615 0.0592 -0.0270 178 LYS c N +33692 C CA . LYS U 160 ? 1.0121 0.8294 0.7473 0.1627 0.0554 -0.0273 178 LYS c CA +33693 C C . LYS U 160 ? 1.1354 0.9596 0.8789 0.1647 0.0538 -0.0268 178 LYS c C +33694 O O . LYS U 160 ? 1.0327 0.8522 0.7732 0.1692 0.0524 -0.0277 178 LYS c O +33695 C CB . LYS U 160 ? 1.0412 0.8506 0.7718 0.1567 0.0521 -0.0263 178 LYS c CB +33696 C CG . LYS U 160 ? 1.0117 0.8119 0.7377 0.1571 0.0482 -0.0264 178 LYS c CG +33697 C CD . LYS U 160 ? 1.0208 0.8076 0.7345 0.1592 0.0477 -0.0280 178 LYS c CD +33698 C CE . LYS U 160 ? 1.0567 0.8341 0.7655 0.1600 0.0441 -0.0282 178 LYS c CE +33699 N NZ . LYS U 160 ? 1.0174 0.7996 0.7315 0.1647 0.0438 -0.0282 178 LYS c NZ +33700 N N . ALA U 161 ? 0.9954 0.8305 0.7491 0.1614 0.0538 -0.0254 179 ALA c N +33701 C CA . ALA U 161 ? 1.1974 1.0393 0.9592 0.1629 0.0520 -0.0249 179 ALA c CA +33702 C C . ALA U 161 ? 1.2363 1.0848 1.0020 0.1696 0.0544 -0.0262 179 ALA c C +33703 O O . ALA U 161 ? 1.1489 0.9964 0.9151 0.1735 0.0526 -0.0267 179 ALA c O +33704 C CB . ALA U 161 ? 0.9905 0.8425 0.7621 0.1576 0.0517 -0.0232 179 ALA c CB +33705 N N . MET U 162 ? 1.0464 0.9016 0.8147 0.1710 0.0586 -0.0268 180 MET c N +33706 C CA . MET U 162 ? 1.1349 0.9986 0.9089 0.1769 0.0611 -0.0280 180 MET c CA +33707 C C . MET U 162 ? 1.2050 1.0612 0.9705 0.1831 0.0626 -0.0299 180 MET c C +33708 O O . MET U 162 ? 1.1911 1.0513 0.9596 0.1889 0.0633 -0.0310 180 MET c O +33709 C CB . MET U 162 ? 1.0048 0.8811 0.7874 0.1754 0.0652 -0.0278 180 MET c CB +33710 C CG . MET U 162 ? 0.9719 0.8566 0.7636 0.1696 0.0640 -0.0260 180 MET c CG +33711 S SD . MET U 162 ? 1.0921 0.9934 0.8960 0.1690 0.0685 -0.0259 180 MET c SD +33712 C CE . MET U 162 ? 1.2178 1.1264 1.0277 0.1767 0.0689 -0.0275 180 MET c CE +33713 N N . PHE U 163 ? 1.0021 0.8471 0.7569 0.1822 0.0631 -0.0304 181 PHE c N +33714 C CA . PHE U 163 ? 1.0679 0.9068 0.8149 0.1879 0.0653 -0.0323 181 PHE c CA +33715 C C . PHE U 163 ? 1.2443 1.0672 0.9784 0.1884 0.0629 -0.0330 181 PHE c C +33716 O O . PHE U 163 ? 1.4365 1.2535 1.1638 0.1936 0.0645 -0.0346 181 PHE c O +33717 C CB . PHE U 163 ? 1.1808 1.0242 0.9279 0.1878 0.0701 -0.0328 181 PHE c CB +33718 C CG . PHE U 163 ? 1.0590 0.9179 0.8185 0.1870 0.0729 -0.0322 181 PHE c CG +33719 C CD1 . PHE U 163 ? 1.2111 1.0794 0.9787 0.1918 0.0736 -0.0329 181 PHE c CD1 +33720 C CD2 . PHE U 163 ? 1.3067 1.1708 1.0696 0.1816 0.0748 -0.0310 181 PHE c CD2 +33721 C CE1 . PHE U 163 ? 1.2175 1.1002 0.9967 0.1909 0.0762 -0.0325 181 PHE c CE1 +33722 C CE2 . PHE U 163 ? 1.0784 0.9567 0.8527 0.1807 0.0775 -0.0305 181 PHE c CE2 +33723 C CZ . PHE U 163 ? 1.1717 1.0594 0.9542 0.1852 0.0782 -0.0313 181 PHE c CZ +33724 N N . PHE U 164 ? 1.1454 0.9610 0.8758 0.1833 0.0595 -0.0319 182 PHE c N +33725 C CA . PHE U 164 ? 1.0701 0.8705 0.7881 0.1833 0.0574 -0.0326 182 PHE c CA +33726 C C . PHE U 164 ? 1.0352 0.8293 0.7518 0.1816 0.0528 -0.0318 182 PHE c C +33727 O O . PHE U 164 ? 1.2584 1.0437 0.9691 0.1771 0.0504 -0.0313 182 PHE c O +33728 C CB . PHE U 164 ? 1.2283 1.0234 0.9403 0.1785 0.0581 -0.0324 182 PHE c CB +33729 C CG . PHE U 164 ? 1.4812 1.2802 1.1925 0.1803 0.0627 -0.0333 182 PHE c CG +33730 C CD1 . PHE U 164 ? 1.5493 1.3393 1.2506 0.1841 0.0642 -0.0350 182 PHE c CD1 +33731 C CD2 . PHE U 164 ? 1.4129 1.2242 1.1332 0.1782 0.0654 -0.0324 182 PHE c CD2 +33732 C CE1 . PHE U 164 ? 1.6067 1.4002 1.3069 0.1859 0.0686 -0.0358 182 PHE c CE1 +33733 C CE2 . PHE U 164 ? 1.4841 1.2989 1.2035 0.1798 0.0698 -0.0331 182 PHE c CE2 +33734 C CZ . PHE U 164 ? 1.3088 1.1147 1.0182 0.1837 0.0714 -0.0348 182 PHE c CZ +33735 N N . GLY U 165 ? 1.1613 0.9595 0.8829 0.1852 0.0516 -0.0318 183 GLY c N +33736 C CA . GLY U 165 ? 1.1382 0.9299 0.8578 0.1846 0.0475 -0.0312 183 GLY c CA +33737 C C . GLY U 165 ? 1.1699 0.9706 0.8996 0.1811 0.0455 -0.0295 183 GLY c C +33738 O O . GLY U 165 ? 1.2143 1.0139 0.9452 0.1830 0.0430 -0.0291 183 GLY c O +33739 N N . GLY U 166 ? 1.1653 0.9744 0.9017 0.1761 0.0466 -0.0283 184 GLY c N +33740 C CA . GLY U 166 ? 1.0345 0.8521 0.7803 0.1722 0.0448 -0.0267 184 GLY c CA +33741 C C . GLY U 166 ? 1.1848 0.9961 0.9276 0.1656 0.0419 -0.0253 184 GLY c C +33742 O O . GLY U 166 ? 1.1025 0.9047 0.8372 0.1630 0.0417 -0.0256 184 GLY c O +33743 N N . LEU U 167 ? 1.1944 1.0108 0.9440 0.1628 0.0395 -0.0240 185 LEU c N +33744 C CA . LEU U 167 ? 1.1617 0.9739 0.9103 0.1564 0.0367 -0.0226 185 LEU c CA +33745 C C . LEU U 167 ? 1.1258 0.9335 0.8736 0.1570 0.0332 -0.0221 185 LEU c C +33746 O O . LEU U 167 ? 1.0550 0.8665 0.8064 0.1615 0.0328 -0.0223 185 LEU c O +33747 C CB . LEU U 167 ? 1.0578 0.8810 0.8157 0.1514 0.0375 -0.0212 185 LEU c CB +33748 C CG . LEU U 167 ? 0.9896 0.8175 0.7487 0.1500 0.0409 -0.0214 185 LEU c CG +33749 C CD1 . LEU U 167 ? 1.0021 0.8408 0.7708 0.1453 0.0414 -0.0199 185 LEU c CD1 +33750 C CD2 . LEU U 167 ? 1.0369 0.8540 0.7860 0.1474 0.0408 -0.0218 185 LEU c CD2 +33751 N N . TYR U 168 ? 1.0007 0.8001 0.7437 0.1524 0.0306 -0.0213 186 TYR c N +33752 C CA . TYR U 168 ? 1.0306 0.8261 0.7734 0.1520 0.0273 -0.0206 186 TYR c CA +33753 C C . TYR U 168 ? 1.0492 0.8563 0.8030 0.1499 0.0265 -0.0192 186 TYR c C +33754 O O . TYR U 168 ? 0.9233 0.7367 0.6824 0.1450 0.0269 -0.0182 186 TYR c O +33755 C CB . TYR U 168 ? 0.9522 0.7364 0.6875 0.1472 0.0249 -0.0202 186 TYR c CB +33756 C CG . TYR U 168 ? 1.1588 0.9384 0.8932 0.1472 0.0218 -0.0194 186 TYR c CG +33757 C CD1 . TYR U 168 ? 1.0864 0.8566 0.8135 0.1517 0.0208 -0.0203 186 TYR c CD1 +33758 C CD2 . TYR U 168 ? 1.1049 0.8897 0.8458 0.1429 0.0199 -0.0179 186 TYR c CD2 +33759 C CE1 . TYR U 168 ? 1.0256 0.7911 0.7513 0.1519 0.0181 -0.0196 186 TYR c CE1 +33760 C CE2 . TYR U 168 ? 1.1165 0.8969 0.8563 0.1430 0.0172 -0.0172 186 TYR c CE2 +33761 C CZ . TYR U 168 ? 1.1356 0.9063 0.8676 0.1476 0.0163 -0.0180 186 TYR c CZ +33762 O OH . TYR U 168 ? 0.9885 0.7542 0.7188 0.1478 0.0137 -0.0173 186 TYR c OH +33763 N N . ASP U 169 ? 0.9659 0.7758 0.7229 0.1538 0.0253 -0.0191 187 ASP c N +33764 C CA . ASP U 169 ? 1.0347 0.8559 0.8021 0.1527 0.0245 -0.0180 187 ASP c CA +33765 C C . ASP U 169 ? 1.0442 0.8601 0.8101 0.1514 0.0210 -0.0171 187 ASP c C +33766 O O . ASP U 169 ? 0.9968 0.8078 0.7591 0.1559 0.0197 -0.0175 187 ASP c O +33767 C CB . ASP U 169 ? 0.8673 0.6979 0.6409 0.1586 0.0262 -0.0189 187 ASP c CB +33768 C CG . ASP U 169 ? 1.0237 0.8666 0.8085 0.1574 0.0255 -0.0179 187 ASP c CG +33769 O OD1 . ASP U 169 ? 1.0196 0.8648 0.8079 0.1516 0.0243 -0.0166 187 ASP c OD1 +33770 O OD2 . ASP U 169 ? 1.0792 0.9296 0.8693 0.1622 0.0262 -0.0186 187 ASP c OD2 +33771 N N . THR U 170 ? 1.0237 0.8401 0.7918 0.1452 0.0195 -0.0157 188 THR c N +33772 C CA . THR U 170 ? 1.0329 0.8443 0.7996 0.1435 0.0163 -0.0147 188 THR c CA +33773 C C . THR U 170 ? 1.0054 0.8246 0.7790 0.1467 0.0152 -0.0143 188 THR c C +33774 O O . THR U 170 ? 0.9114 0.7253 0.6823 0.1477 0.0127 -0.0139 188 THR c O +33775 C CB . THR U 170 ? 1.0496 0.8610 0.8180 0.1362 0.0152 -0.0134 188 THR c CB +33776 O OG1 . THR U 170 ? 0.8916 0.6955 0.6562 0.1344 0.0123 -0.0126 188 THR c OG1 +33777 C CG2 . THR U 170 ? 0.8622 0.6872 0.6417 0.1337 0.0159 -0.0125 188 THR c CG2 +33778 N N . TRP U 171 ? 0.8749 0.7064 0.6573 0.1485 0.0170 -0.0146 189 TRP c N +33779 C CA . TRP U 171 ? 0.8172 0.6576 0.6072 0.1515 0.0161 -0.0144 189 TRP c CA +33780 C C . TRP U 171 ? 1.0236 0.8638 0.8120 0.1591 0.0165 -0.0158 189 TRP c C +33781 O O . TRP U 171 ? 1.1198 0.9683 0.9149 0.1622 0.0159 -0.0159 189 TRP c O +33782 C CB . TRP U 171 ? 0.7629 0.6174 0.5638 0.1492 0.0178 -0.0141 189 TRP c CB +33783 C CG . TRP U 171 ? 1.1105 0.9669 0.9143 0.1421 0.0173 -0.0127 189 TRP c CG +33784 C CD1 . TRP U 171 ? 0.9159 0.7727 0.7194 0.1379 0.0192 -0.0125 189 TRP c CD1 +33785 C CD2 . TRP U 171 ? 1.0892 0.9475 0.8969 0.1385 0.0147 -0.0113 189 TRP c CD2 +33786 N NE1 . TRP U 171 ? 0.9148 0.7737 0.7217 0.1320 0.0179 -0.0111 189 TRP c NE1 +33787 C CE2 . TRP U 171 ? 1.0805 0.9404 0.8901 0.1321 0.0152 -0.0104 189 TRP c CE2 +33788 C CE3 . TRP U 171 ? 0.9163 0.7750 0.7257 0.1400 0.0120 -0.0109 189 TRP c CE3 +33789 C CZ2 . TRP U 171 ? 0.9546 0.8165 0.7679 0.1274 0.0132 -0.0090 189 TRP c CZ2 +33790 C CZ3 . TRP U 171 ? 0.9572 0.8177 0.7701 0.1352 0.0101 -0.0095 189 TRP c CZ3 +33791 C CH2 . TRP U 171 ? 0.9726 0.8348 0.7875 0.1290 0.0107 -0.0086 189 TRP c CH2 +33792 N N . ALA U 172 ? 1.0222 0.8533 0.8019 0.1623 0.0176 -0.0169 190 ALA c N +33793 C CA . ALA U 172 ? 1.1065 0.9382 0.8850 0.1697 0.0184 -0.0183 190 ALA c CA +33794 C C . ALA U 172 ? 1.2196 1.0456 0.9948 0.1734 0.0154 -0.0181 190 ALA c C +33795 O O . ALA U 172 ? 1.1845 0.9998 0.9527 0.1710 0.0133 -0.0174 190 ALA c O +33796 C CB . ALA U 172 ? 0.9706 0.7939 0.7406 0.1720 0.0205 -0.0196 190 ALA c CB +33797 N N . PRO U 173 ? 1.4028 1.2358 1.1829 0.1792 0.0152 -0.0188 191 PRO c N +33798 C CA . PRO U 173 ? 1.3230 1.1503 1.0994 0.1835 0.0123 -0.0188 191 PRO c CA +33799 C C . PRO U 173 ? 1.2084 1.0194 0.9720 0.1847 0.0113 -0.0189 191 PRO c C +33800 O O . PRO U 173 ? 1.4679 1.2731 1.2253 0.1870 0.0132 -0.0201 191 PRO c O +33801 C CB . PRO U 173 ? 1.2421 1.0780 1.0236 0.1907 0.0134 -0.0202 191 PRO c CB +33802 C CG . PRO U 173 ? 1.4538 1.3041 1.2460 0.1884 0.0159 -0.0203 191 PRO c CG +33803 C CD . PRO U 173 ? 1.2425 1.0895 1.0322 0.1819 0.0176 -0.0197 191 PRO c CD +33804 N N . GLY U 174 ? 1.2321 1.0353 0.9913 0.1829 0.0084 -0.0178 192 GLY c N +33805 C CA . GLY U 174 ? 1.3990 1.1865 1.1461 0.1842 0.0073 -0.0180 192 GLY c CA +33806 C C . GLY U 174 ? 1.4011 1.1794 1.1421 0.1777 0.0074 -0.0174 192 GLY c C +33807 O O . GLY U 174 ? 1.7501 1.5168 1.4814 0.1786 0.0079 -0.0181 192 GLY c O +33808 N N . GLY U 175 ? 1.5196 1.3031 1.2660 0.1712 0.0069 -0.0161 193 GLY c N +33809 C CA . GLY U 175 ? 1.4816 1.2569 1.2228 0.1647 0.0066 -0.0154 193 GLY c CA +33810 C C . GLY U 175 ? 1.2236 1.0008 0.9652 0.1616 0.0091 -0.0160 193 GLY c C +33811 O O . GLY U 175 ? 1.2725 1.0425 1.0093 0.1565 0.0088 -0.0157 193 GLY c O +33812 N N . GLY U 176 ? 1.1529 0.9393 0.8998 0.1644 0.0115 -0.0169 194 GLY c N +33813 C CA . GLY U 176 ? 1.1711 0.9596 0.9184 0.1614 0.0140 -0.0174 194 GLY c CA +33814 C C . GLY U 176 ? 1.3715 1.1522 1.1105 0.1653 0.0157 -0.0190 194 GLY c C +33815 O O . GLY U 176 ? 1.2611 1.0297 0.9909 0.1673 0.0146 -0.0195 194 GLY c O +33816 N N . ASP U 177 ? 1.1530 0.9402 0.8951 0.1663 0.0186 -0.0199 195 ASP c N +33817 C CA . ASP U 177 ? 1.1292 0.9101 0.8640 0.1706 0.0205 -0.0215 195 ASP c CA +33818 C C . ASP U 177 ? 1.0977 0.8850 0.8355 0.1691 0.0237 -0.0221 195 ASP c C +33819 O O . ASP U 177 ? 1.0448 0.8430 0.7914 0.1657 0.0246 -0.0213 195 ASP c O +33820 C CB . ASP U 177 ? 1.2960 1.0787 1.0313 0.1785 0.0208 -0.0225 195 ASP c CB +33821 C CG . ASP U 177 ? 1.2022 0.9734 0.9269 0.1831 0.0215 -0.0241 195 ASP c CG +33822 O OD1 . ASP U 177 ? 1.2059 0.9676 0.9228 0.1802 0.0218 -0.0244 195 ASP c OD1 +33823 O OD2 . ASP U 177 ? 1.3570 1.1289 1.0814 0.1898 0.0217 -0.0250 195 ASP c OD2 +33824 N N . VAL U 178 ? 1.0302 0.8105 0.7604 0.1718 0.0254 -0.0235 196 VAL c N +33825 C CA . VAL U 178 ? 1.0405 0.8269 0.7730 0.1720 0.0288 -0.0243 196 VAL c CA +33826 C C . VAL U 178 ? 1.0081 0.8063 0.7485 0.1774 0.0309 -0.0249 196 VAL c C +33827 O O . VAL U 178 ? 1.2511 1.0478 0.9902 0.1833 0.0303 -0.0257 196 VAL c O +33828 C CB . VAL U 178 ? 1.0546 0.8297 0.7761 0.1735 0.0300 -0.0257 196 VAL c CB +33829 C CG1 . VAL U 178 ? 0.9779 0.7593 0.7015 0.1741 0.0337 -0.0265 196 VAL c CG1 +33830 C CG2 . VAL U 178 ? 0.9496 0.7136 0.6638 0.1679 0.0279 -0.0252 196 VAL c CG2 +33831 N N . ARG U 179 ? 1.0798 0.8895 0.8284 0.1755 0.0333 -0.0246 197 ARG c N +33832 C CA . ARG U 179 ? 1.0927 0.9149 0.8502 0.1799 0.0351 -0.0252 197 ARG c CA +33833 C C . ARG U 179 ? 1.1970 1.0270 0.9582 0.1790 0.0391 -0.0256 197 ARG c C +33834 O O . ARG U 179 ? 1.0641 0.8952 0.8262 0.1733 0.0397 -0.0248 197 ARG c O +33835 C CB . ARG U 179 ? 1.1884 1.0199 0.9557 0.1779 0.0331 -0.0238 197 ARG c CB +33836 C CG . ARG U 179 ? 1.1651 1.0116 0.9434 0.1808 0.0352 -0.0242 197 ARG c CG +33837 C CD . ARG U 179 ? 1.0317 0.8855 0.8182 0.1799 0.0325 -0.0232 197 ARG c CD +33838 N NE . ARG U 179 ? 1.0349 0.8939 0.8271 0.1729 0.0320 -0.0216 197 ARG c NE +33839 C CZ . ARG U 179 ? 1.0689 0.9404 0.8707 0.1707 0.0340 -0.0213 197 ARG c CZ +33840 N NH1 . ARG U 179 ? 1.0611 0.9414 0.8680 0.1746 0.0370 -0.0225 197 ARG c NH1 +33841 N NH2 . ARG U 179 ? 1.0919 0.9670 0.8982 0.1644 0.0331 -0.0198 197 ARG c NH2 +33842 N N . VAL U 180 ? 1.0494 0.8846 0.8127 0.1848 0.0417 -0.0270 198 VAL c N +33843 C CA . VAL U 180 ? 0.9970 0.8408 0.7648 0.1845 0.0458 -0.0275 198 VAL c CA +33844 C C . VAL U 180 ? 0.9570 0.8158 0.7377 0.1825 0.0464 -0.0266 198 VAL c C +33845 O O . VAL U 180 ? 1.1213 0.9860 0.9082 0.1850 0.0448 -0.0265 198 VAL c O +33846 C CB . VAL U 180 ? 1.0786 0.9218 0.8432 0.1916 0.0486 -0.0295 198 VAL c CB +33847 C CG1 . VAL U 180 ? 0.9648 0.8172 0.7341 0.1913 0.0530 -0.0299 198 VAL c CG1 +33848 C CG2 . VAL U 180 ? 1.0569 0.8847 0.8083 0.1932 0.0479 -0.0304 198 VAL c CG2 +33849 N N . ILE U 181 ? 1.1070 0.9716 0.8916 0.1778 0.0487 -0.0259 199 ILE c N +33850 C CA . ILE U 181 ? 1.1734 1.0517 0.9699 0.1749 0.0495 -0.0250 199 ILE c CA +33851 C C . ILE U 181 ? 1.1395 1.0279 0.9417 0.1787 0.0537 -0.0262 199 ILE c C +33852 O O . ILE U 181 ? 1.4324 1.3201 1.2316 0.1780 0.0570 -0.0266 199 ILE c O +33853 C CB . ILE U 181 ? 1.2196 1.0982 1.0170 0.1674 0.0494 -0.0235 199 ILE c CB +33854 C CG1 . ILE U 181 ? 1.0766 0.9446 0.8679 0.1637 0.0453 -0.0224 199 ILE c CG1 +33855 C CG2 . ILE U 181 ? 1.1534 1.0459 0.9631 0.1644 0.0503 -0.0225 199 ILE c CG2 +33856 C CD1 . ILE U 181 ? 1.0080 0.8778 0.8033 0.1647 0.0420 -0.0219 199 ILE c CD1 +33857 N N . THR U 182 ? 1.1555 1.0534 0.9658 0.1827 0.0537 -0.0268 200 THR c N +33858 C CA . THR U 182 ? 1.0524 0.9599 0.8682 0.1869 0.0576 -0.0282 200 THR c CA +33859 C C . THR U 182 ? 1.0123 0.9348 0.8407 0.1839 0.0595 -0.0276 200 THR c C +33860 O O . THR U 182 ? 1.2193 1.1498 1.0521 0.1857 0.0635 -0.0285 200 THR c O +33861 C CB . THR U 182 ? 1.0998 1.0077 0.9157 0.1946 0.0567 -0.0297 200 THR c CB +33862 O OG1 . THR U 182 ? 1.1311 1.0467 0.9555 0.1950 0.0539 -0.0292 200 THR c OG1 +33863 C CG2 . THR U 182 ? 1.1853 1.0779 0.9889 0.1972 0.0544 -0.0301 200 THR c CG2 +33864 N N . ASN U 183 ? 1.1123 1.0386 0.9464 0.1794 0.0568 -0.0262 201 ASN c N +33865 C CA . ASN U 183 ? 1.0964 1.0361 0.9420 0.1757 0.0583 -0.0255 201 ASN c CA +33866 C C . ASN U 183 ? 1.1254 1.0624 0.9703 0.1681 0.0570 -0.0236 201 ASN c C +33867 O O . ASN U 183 ? 1.1363 1.0756 0.9857 0.1652 0.0539 -0.0225 201 ASN c O +33868 C CB . ASN U 183 ? 1.4037 1.3532 1.2590 0.1782 0.0562 -0.0258 201 ASN c CB +33869 C CG . ASN U 183 ? 1.6575 1.6140 1.5167 0.1852 0.0584 -0.0277 201 ASN c CG +33870 O OD1 . ASN U 183 ? 1.5069 1.4562 1.3593 0.1908 0.0577 -0.0289 201 ASN c OD1 +33871 N ND2 . ASN U 183 ? 1.5734 1.5440 1.4436 0.1850 0.0610 -0.0282 201 ASN c ND2 +33872 N N . PRO U 184 ? 1.1947 1.1269 1.0341 0.1649 0.0593 -0.0232 202 PRO c N +33873 C CA . PRO U 184 ? 1.0723 1.0031 0.9119 0.1578 0.0583 -0.0214 202 PRO c CA +33874 C C . PRO U 184 ? 1.0882 1.0323 0.9397 0.1545 0.0595 -0.0207 202 PRO c C +33875 O O . PRO U 184 ? 1.1028 1.0573 0.9615 0.1570 0.0625 -0.0216 202 PRO c O +33876 C CB . PRO U 184 ? 1.1091 1.0334 0.9408 0.1562 0.0613 -0.0215 202 PRO c CB +33877 C CG . PRO U 184 ? 1.0750 1.0032 0.9072 0.1617 0.0651 -0.0232 202 PRO c CG +33878 C CD . PRO U 184 ? 1.0281 0.9566 0.8614 0.1677 0.0631 -0.0244 202 PRO c CD +33879 N N . THR U 185 ? 1.0277 0.9717 0.8813 0.1489 0.0572 -0.0191 203 THR c N +33880 C CA . THR U 185 ? 1.0981 1.0541 0.9627 0.1455 0.0578 -0.0184 203 THR c CA +33881 C C . THR U 185 ? 1.0725 1.0327 0.9387 0.1421 0.0620 -0.0180 203 THR c C +33882 O O . THR U 185 ? 1.0079 0.9604 0.8671 0.1389 0.0625 -0.0172 203 THR c O +33883 C CB . THR U 185 ? 1.0102 0.9642 0.8761 0.1408 0.0538 -0.0169 203 THR c CB +33884 O OG1 . THR U 185 ? 1.0676 1.0159 0.9303 0.1440 0.0500 -0.0172 203 THR c OG1 +33885 C CG2 . THR U 185 ? 0.8398 0.8062 0.7174 0.1377 0.0541 -0.0162 203 THR c CG2 +33886 N N . LEU U 186 ? 0.9858 0.9581 0.8613 0.1428 0.0651 -0.0186 204 LEU c N +33887 C CA . LEU U 186 ? 1.0312 1.0080 0.9086 0.1399 0.0695 -0.0182 204 LEU c CA +33888 C C . LEU U 186 ? 0.9404 0.9281 0.8283 0.1353 0.0703 -0.0173 204 LEU c C +33889 O O . LEU U 186 ? 1.0640 1.0536 0.9524 0.1315 0.0733 -0.0166 204 LEU c O +33890 C CB . LEU U 186 ? 1.0529 1.0335 0.9305 0.1449 0.0738 -0.0199 204 LEU c CB +33891 C CG . LEU U 186 ? 1.1900 1.1586 1.0558 0.1488 0.0737 -0.0207 204 LEU c CG +33892 C CD1 . LEU U 186 ? 1.1889 1.1609 1.0545 0.1543 0.0778 -0.0225 204 LEU c CD1 +33893 C CD2 . LEU U 186 ? 1.1442 1.1027 1.0010 0.1444 0.0736 -0.0195 204 LEU c CD2 +33894 N N . ASP U 187 ? 0.9040 0.8984 0.7997 0.1355 0.0676 -0.0173 205 ASP c N +33895 C CA . ASP U 187 ? 1.0349 1.0393 0.9406 0.1310 0.0679 -0.0165 205 ASP c CA +33896 C C . ASP U 187 ? 1.0074 1.0064 0.9096 0.1245 0.0670 -0.0146 205 ASP c C +33897 O O . ASP U 187 ? 0.9914 0.9822 0.8885 0.1230 0.0632 -0.0137 205 ASP c O +33898 C CB . ASP U 187 ? 0.9002 0.9101 0.8129 0.1324 0.0641 -0.0168 205 ASP c CB +33899 C CG . ASP U 187 ? 1.0752 1.0973 0.9995 0.1287 0.0647 -0.0164 205 ASP c CG +33900 O OD1 . ASP U 187 ? 1.2249 1.2500 1.1512 0.1243 0.0676 -0.0156 205 ASP c OD1 +33901 O OD2 . ASP U 187 ? 1.4064 1.4350 1.3377 0.1304 0.0623 -0.0170 205 ASP c OD2 +33902 N N . PRO U 188 ? 1.1233 1.1264 1.0280 0.1207 0.0706 -0.0139 206 PRO c N +33903 C CA . PRO U 188 ? 1.0868 1.0845 0.9877 0.1148 0.0698 -0.0122 206 PRO c CA +33904 C C . PRO U 188 ? 1.1478 1.1479 1.0540 0.1110 0.0660 -0.0111 206 PRO c C +33905 O O . PRO U 188 ? 1.1059 1.0995 1.0078 0.1069 0.0640 -0.0097 206 PRO c O +33906 C CB . PRO U 188 ? 1.1181 1.1214 1.0220 0.1121 0.0748 -0.0118 206 PRO c CB +33907 C CG . PRO U 188 ? 1.1431 1.1582 1.0562 0.1154 0.0774 -0.0133 206 PRO c CG +33908 C CD . PRO U 188 ? 1.1113 1.1240 1.0220 0.1216 0.0756 -0.0148 206 PRO c CD +33909 N N . ARG U 189 ? 0.9897 0.9990 0.9051 0.1124 0.0649 -0.0117 207 ARG c N +33910 C CA . ARG U 189 ? 0.9381 0.9491 0.8578 0.1092 0.0611 -0.0108 207 ARG c CA +33911 C C . ARG U 189 ? 0.9811 0.9820 0.8937 0.1104 0.0565 -0.0105 207 ARG c C +33912 O O . ARG U 189 ? 1.0215 1.0197 0.9340 0.1067 0.0534 -0.0093 207 ARG c O +33913 C CB . ARG U 189 ? 1.1232 1.1466 1.0543 0.1105 0.0609 -0.0117 207 ARG c CB +33914 C CG . ARG U 189 ? 1.3754 1.4091 1.3144 0.1081 0.0653 -0.0118 207 ARG c CG +33915 C CD . ARG U 189 ? 1.6300 1.6762 1.5808 0.1085 0.0646 -0.0127 207 ARG c CD +33916 N NE . ARG U 189 ? 1.8121 1.8616 1.7650 0.1148 0.0637 -0.0144 207 ARG c NE +33917 C CZ . ARG U 189 ? 1.8307 1.8861 1.7866 0.1186 0.0672 -0.0159 207 ARG c CZ +33918 N NH1 . ARG U 189 ? 1.8123 1.8716 1.7697 0.1168 0.0720 -0.0159 207 ARG c NH1 +33919 N NH2 . ARG U 189 ? 1.6220 1.6796 1.5792 0.1246 0.0658 -0.0174 207 ARG c NH2 +33920 N N . VAL U 190 ? 1.0366 1.0317 0.9432 0.1155 0.0560 -0.0115 208 VAL c N +33921 C CA . VAL U 190 ? 1.1027 1.0872 1.0016 0.1164 0.0520 -0.0112 208 VAL c CA +33922 C C . VAL U 190 ? 1.1294 1.1032 1.0187 0.1134 0.0522 -0.0102 208 VAL c C +33923 O O . VAL U 190 ? 1.0339 1.0011 0.9195 0.1104 0.0491 -0.0092 208 VAL c O +33924 C CB . VAL U 190 ? 1.0128 0.9947 0.9086 0.1230 0.0512 -0.0127 208 VAL c CB +33925 C CG1 . VAL U 190 ? 0.8850 0.8552 0.7723 0.1237 0.0473 -0.0123 208 VAL c CG1 +33926 C CG2 . VAL U 190 ? 0.9775 0.9701 0.8829 0.1260 0.0507 -0.0137 208 VAL c CG2 +33927 N N . ILE U 191 ? 1.0567 1.0288 0.9420 0.1142 0.0559 -0.0107 209 ILE c N +33928 C CA . ILE U 191 ? 0.9559 0.9173 0.8312 0.1123 0.0560 -0.0101 209 ILE c CA +33929 C C . ILE U 191 ? 0.8721 0.8334 0.7484 0.1060 0.0556 -0.0084 209 ILE c C +33930 O O . ILE U 191 ? 0.9645 0.9178 0.8354 0.1033 0.0528 -0.0075 209 ILE c O +33931 C CB . ILE U 191 ? 0.9327 0.8928 0.8037 0.1150 0.0602 -0.0110 209 ILE c CB +33932 C CG1 . ILE U 191 ? 0.8659 0.8253 0.7351 0.1215 0.0604 -0.0127 209 ILE c CG1 +33933 C CG2 . ILE U 191 ? 0.9283 0.8777 0.7891 0.1126 0.0603 -0.0104 209 ILE c CG2 +33934 C CD1 . ILE U 191 ? 0.9083 0.8560 0.7685 0.1237 0.0569 -0.0130 209 ILE c CD1 +33935 N N . PHE U 192 ? 0.9775 0.9476 0.8608 0.1034 0.0585 -0.0080 210 PHE c N +33936 C CA . PHE U 192 ? 0.9694 0.9396 0.8538 0.0976 0.0583 -0.0064 210 PHE c CA +33937 C C . PHE U 192 ? 1.0303 1.0041 0.9209 0.0948 0.0549 -0.0056 210 PHE c C +33938 O O . PHE U 192 ? 0.9720 0.9441 0.8623 0.0900 0.0538 -0.0042 210 PHE c O +33939 C CB . PHE U 192 ? 0.9265 0.9039 0.8151 0.0958 0.0629 -0.0062 210 PHE c CB +33940 C CG . PHE U 192 ? 1.0872 1.0598 0.9686 0.0976 0.0663 -0.0067 210 PHE c CG +33941 C CD1 . PHE U 192 ? 1.0774 1.0413 0.9505 0.0949 0.0663 -0.0058 210 PHE c CD1 +33942 C CD2 . PHE U 192 ? 1.1952 1.1717 1.0777 0.1022 0.0695 -0.0082 210 PHE c CD2 +33943 C CE1 . PHE U 192 ? 0.9521 0.9111 0.8180 0.0966 0.0693 -0.0063 210 PHE c CE1 +33944 C CE2 . PHE U 192 ? 1.1036 1.0753 0.9790 0.1040 0.0726 -0.0086 210 PHE c CE2 +33945 C CZ . PHE U 192 ? 1.1589 1.1217 1.0258 0.1011 0.0725 -0.0077 210 PHE c CZ +33946 N N . GLY U 193 ? 1.0389 1.0173 0.9346 0.0977 0.0530 -0.0064 211 GLY c N +33947 C CA . GLY U 193 ? 0.9659 0.9461 0.8660 0.0955 0.0493 -0.0057 211 GLY c CA +33948 C C . GLY U 193 ? 0.9802 0.9499 0.8729 0.0942 0.0456 -0.0049 211 GLY c C +33949 O O . GLY U 193 ? 0.9437 0.9132 0.8384 0.0908 0.0429 -0.0039 211 GLY c O +33950 N N . TYR U 194 ? 0.8923 0.8530 0.7761 0.0970 0.0453 -0.0055 212 TYR c N +33951 C CA . TYR U 194 ? 0.8299 0.7801 0.7062 0.0951 0.0422 -0.0048 212 TYR c CA +33952 C C . TYR U 194 ? 1.0142 0.9622 0.8889 0.0896 0.0425 -0.0035 212 TYR c C +33953 O O . TYR U 194 ? 0.8442 0.7878 0.7171 0.0866 0.0395 -0.0025 212 TYR c O +33954 C CB . TYR U 194 ? 0.8088 0.7499 0.6758 0.0988 0.0424 -0.0058 212 TYR c CB +33955 C CG . TYR U 194 ? 0.8738 0.8121 0.7392 0.1034 0.0402 -0.0067 212 TYR c CG +33956 C CD1 . TYR U 194 ? 0.7735 0.7058 0.6361 0.1026 0.0363 -0.0063 212 TYR c CD1 +33957 C CD2 . TYR U 194 ? 0.7871 0.7284 0.6532 0.1087 0.0421 -0.0081 212 TYR c CD2 +33958 C CE1 . TYR U 194 ? 0.9182 0.8474 0.7787 0.1070 0.0343 -0.0071 212 TYR c CE1 +33959 C CE2 . TYR U 194 ? 0.7824 0.7206 0.6465 0.1133 0.0401 -0.0090 212 TYR c CE2 +33960 C CZ . TYR U 194 ? 0.8166 0.7486 0.6777 0.1124 0.0362 -0.0085 212 TYR c CZ +33961 O OH . TYR U 194 ? 0.8765 0.8049 0.7350 0.1169 0.0342 -0.0093 212 TYR c OH +33962 N N . LEU U 195 ? 0.8468 0.7978 0.7219 0.0885 0.0461 -0.0033 213 LEU c N +33963 C CA . LEU U 195 ? 0.8148 0.7629 0.6874 0.0838 0.0467 -0.0021 213 LEU c CA +33964 C C . LEU U 195 ? 0.7673 0.7213 0.6471 0.0794 0.0456 -0.0009 213 LEU c C +33965 O O . LEU U 195 ? 0.9426 0.8928 0.8199 0.0754 0.0445 0.0002 213 LEU c O +33966 C CB . LEU U 195 ? 0.9896 0.9395 0.8608 0.0840 0.0511 -0.0023 213 LEU c CB +33967 C CG . LEU U 195 ? 1.1432 1.0846 1.0046 0.0857 0.0524 -0.0028 213 LEU c CG +33968 C CD1 . LEU U 195 ? 1.2765 1.2206 1.1378 0.0839 0.0565 -0.0023 213 LEU c CD1 +33969 C CD2 . LEU U 195 ? 0.8697 0.8008 0.7234 0.0839 0.0491 -0.0024 213 LEU c CD2 +33970 N N . LEU U 196 ? 0.8916 0.8550 0.7802 0.0801 0.0460 -0.0012 214 LEU c N +33971 C CA . LEU U 196 ? 0.9127 0.8822 0.8085 0.0761 0.0451 -0.0002 214 LEU c CA +33972 C C . LEU U 196 ? 0.8767 0.8452 0.7743 0.0758 0.0409 0.0000 214 LEU c C +33973 O O . LEU U 196 ? 0.9076 0.8817 0.8118 0.0731 0.0398 0.0006 214 LEU c O +33974 C CB . LEU U 196 ? 1.0200 1.0008 0.9248 0.0765 0.0480 -0.0007 214 LEU c CB +33975 C CG . LEU U 196 ? 1.2090 1.1920 1.1132 0.0762 0.0527 -0.0007 214 LEU c CG +33976 C CD1 . LEU U 196 ? 1.0391 1.0338 0.9531 0.0763 0.0554 -0.0012 214 LEU c CD1 +33977 C CD2 . LEU U 196 ? 1.0605 1.0389 0.9605 0.0717 0.0533 0.0007 214 LEU c CD2 +33978 N N . LYS U 197 ? 0.9038 0.8650 0.7956 0.0783 0.0384 -0.0004 215 LYS c N +33979 C CA . LYS U 197 ? 0.9675 0.9272 0.8603 0.0783 0.0346 -0.0003 215 LYS c CA +33980 C C . LYS U 197 ? 0.8660 0.8189 0.7547 0.0741 0.0322 0.0009 215 LYS c C +33981 O O . LYS U 197 ? 0.9110 0.8569 0.7929 0.0730 0.0326 0.0012 215 LYS c O +33982 C CB . LYS U 197 ? 0.8015 0.7567 0.6901 0.0834 0.0333 -0.0014 215 LYS c CB +33983 C CG . LYS U 197 ? 1.0359 0.9842 0.9206 0.0833 0.0295 -0.0011 215 LYS c CG +33984 C CD . LYS U 197 ? 1.0351 0.9776 0.9141 0.0883 0.0289 -0.0022 215 LYS c CD +33985 C CE . LYS U 197 ? 1.0950 1.0451 0.9795 0.0929 0.0300 -0.0034 215 LYS c CE +33986 N NZ . LYS U 197 ? 1.0531 0.9975 0.9329 0.0976 0.0281 -0.0042 215 LYS c NZ +33987 N N . SER U 198 ? 0.9267 0.8820 0.8197 0.0718 0.0297 0.0016 216 SER c N +33988 C CA . SER U 198 ? 0.8079 0.7577 0.6979 0.0678 0.0273 0.0027 216 SER c CA +33989 C C . SER U 198 ? 0.8116 0.7509 0.6928 0.0690 0.0255 0.0025 216 SER c C +33990 O O . SER U 198 ? 0.7644 0.7007 0.6427 0.0728 0.0247 0.0016 216 SER c O +33991 C CB . SER U 198 ? 0.9771 0.9308 0.8728 0.0662 0.0247 0.0032 216 SER c CB +33992 O OG . SER U 198 ? 0.8019 0.7491 0.6938 0.0634 0.0220 0.0040 216 SER c OG +33993 N N A PRO U 199 ? 0.8180 0.7514 0.6945 0.0657 0.0248 0.0032 217 PRO c N +33994 N N B PRO U 199 ? 0.8192 0.7526 0.6957 0.0656 0.0248 0.0032 217 PRO c N +33995 C CA A PRO U 199 ? 0.7913 0.7148 0.6598 0.0662 0.0228 0.0030 217 PRO c CA +33996 C CA B PRO U 199 ? 0.7913 0.7147 0.6597 0.0661 0.0228 0.0030 217 PRO c CA +33997 C C A PRO U 199 ? 0.7786 0.6992 0.6471 0.0651 0.0193 0.0034 217 PRO c C +33998 C C B PRO U 199 ? 0.7789 0.6991 0.6471 0.0650 0.0193 0.0034 217 PRO c C +33999 O O A PRO U 199 ? 0.7984 0.7107 0.6605 0.0649 0.0176 0.0033 217 PRO c O +34000 O O B PRO U 199 ? 0.8009 0.7128 0.6625 0.0648 0.0177 0.0032 217 PRO c O +34001 C CB A PRO U 199 ? 0.7717 0.6911 0.6359 0.0629 0.0235 0.0036 217 PRO c CB +34002 C CB B PRO U 199 ? 0.7696 0.6893 0.6341 0.0627 0.0236 0.0036 217 PRO c CB +34003 C CG A PRO U 199 ? 0.8349 0.7610 0.7057 0.0593 0.0240 0.0046 217 PRO c CG +34004 C CG B PRO U 199 ? 0.8341 0.7609 0.7053 0.0592 0.0241 0.0047 217 PRO c CG +34005 C CD A PRO U 199 ? 0.7852 0.7205 0.6633 0.0613 0.0257 0.0043 217 PRO c CD +34006 C CD B PRO U 199 ? 0.7841 0.7197 0.6624 0.0614 0.0259 0.0043 217 PRO c CD +34007 N N A PHE U 200 ? 0.7128 0.6396 0.5880 0.0642 0.0183 0.0038 218 PHE c N +34008 N N B PHE U 200 ? 0.7113 0.6375 0.5861 0.0642 0.0182 0.0038 218 PHE c N +34009 C CA A PHE U 200 ? 0.7555 0.6794 0.6306 0.0628 0.0152 0.0043 218 PHE c CA +34010 C CA B PHE U 200 ? 0.7550 0.6782 0.6295 0.0628 0.0151 0.0043 218 PHE c CA +34011 C C A PHE U 200 ? 0.8336 0.7560 0.7077 0.0669 0.0138 0.0036 218 PHE c C +34012 C C B PHE U 200 ? 0.8375 0.7592 0.7111 0.0668 0.0137 0.0036 218 PHE c C +34013 O O A PHE U 200 ? 0.7367 0.6602 0.6103 0.0709 0.0152 0.0026 218 PHE c O +34014 O O B PHE U 200 ? 0.7387 0.6614 0.6117 0.0708 0.0151 0.0026 218 PHE c O +34015 C CB A PHE U 200 ? 0.7098 0.6403 0.5919 0.0594 0.0146 0.0052 218 PHE c CB +34016 C CB B PHE U 200 ? 0.7086 0.6385 0.5902 0.0594 0.0145 0.0052 218 PHE c CB +34017 C CG A PHE U 200 ? 0.8056 0.7353 0.6872 0.0551 0.0152 0.0061 218 PHE c CG +34018 C CG B PHE U 200 ? 0.8073 0.7367 0.6886 0.0552 0.0151 0.0061 218 PHE c CG +34019 C CD1 A PHE U 200 ? 0.7202 0.6440 0.5982 0.0522 0.0130 0.0067 218 PHE c CD1 +34020 C CD1 B PHE U 200 ? 0.7188 0.6421 0.5963 0.0522 0.0131 0.0067 218 PHE c CD1 +34021 C CD2 A PHE U 200 ? 0.8147 0.7493 0.6990 0.0541 0.0179 0.0063 218 PHE c CD2 +34022 C CD2 B PHE U 200 ? 0.8149 0.7497 0.6995 0.0542 0.0178 0.0063 218 PHE c CD2 +34023 C CE1 A PHE U 200 ? 0.7743 0.6973 0.6517 0.0486 0.0134 0.0075 218 PHE c CE1 +34024 C CE1 B PHE U 200 ? 0.7742 0.6971 0.6513 0.0486 0.0136 0.0074 218 PHE c CE1 +34025 C CE2 A PHE U 200 ? 0.8539 0.7873 0.7372 0.0504 0.0184 0.0071 218 PHE c CE2 +34026 C CE2 B PHE U 200 ? 0.8546 0.7885 0.7384 0.0505 0.0184 0.0071 218 PHE c CE2 +34027 C CZ A PHE U 200 ? 0.8041 0.7317 0.6839 0.0477 0.0160 0.0077 218 PHE c CZ +34028 C CZ B PHE U 200 ? 0.8039 0.7319 0.6840 0.0478 0.0162 0.0077 218 PHE c CZ +34029 N N A GLY U 201 ? 0.8356 0.7550 0.7092 0.0659 0.0110 0.0040 219 GLY c N +34030 N N B GLY U 201 ? 0.8374 0.7566 0.7109 0.0658 0.0110 0.0040 219 GLY c N +34031 C CA A GLY U 201 ? 0.7653 0.6807 0.6359 0.0695 0.0094 0.0034 219 GLY c CA +34032 C CA B GLY U 201 ? 0.7647 0.6798 0.6351 0.0694 0.0093 0.0034 219 GLY c CA +34033 C C A GLY U 201 ? 0.7457 0.6681 0.6214 0.0734 0.0099 0.0027 219 GLY c C +34034 C C B GLY U 201 ? 0.7446 0.6668 0.6202 0.0733 0.0099 0.0028 219 GLY c C +34035 O O A GLY U 201 ? 0.7715 0.7026 0.6546 0.0726 0.0106 0.0029 219 GLY c O +34036 O O B GLY U 201 ? 0.7727 0.7036 0.6557 0.0725 0.0105 0.0030 219 GLY c O +34037 N N A GLY U 202 ? 0.7437 0.6621 0.6154 0.0778 0.0097 0.0019 220 GLY c N +34038 N N B GLY U 202 ? 0.7434 0.6617 0.6150 0.0778 0.0097 0.0019 220 GLY c N +34039 C CA A GLY U 202 ? 0.8013 0.7262 0.6775 0.0821 0.0103 0.0010 220 GLY c CA +34040 C CA B GLY U 202 ? 0.8022 0.7268 0.6780 0.0822 0.0103 0.0010 220 GLY c CA +34041 C C A GLY U 202 ? 0.8706 0.8017 0.7499 0.0836 0.0135 0.0004 220 GLY c C +34042 C C B GLY U 202 ? 0.8724 0.8035 0.7517 0.0836 0.0135 0.0004 220 GLY c C +34043 O O A GLY U 202 ? 0.8355 0.7723 0.7187 0.0874 0.0142 -0.0005 220 GLY c O +34044 O O B GLY U 202 ? 0.8356 0.7727 0.7190 0.0873 0.0142 -0.0005 220 GLY c O +34045 N N . GLU U 203 ? 0.7639 0.6939 0.6415 0.0809 0.0155 0.0007 221 GLU c N +34046 C CA . GLU U 203 ? 0.7571 0.6921 0.6368 0.0822 0.0188 0.0001 221 GLU c CA +34047 C C . GLU U 203 ? 0.8057 0.7328 0.6773 0.0828 0.0201 -0.0003 221 GLU c C +34048 O O . GLU U 203 ? 0.8927 0.8182 0.7614 0.0869 0.0214 -0.0014 221 GLU c O +34049 C CB . GLU U 203 ? 0.9014 0.8440 0.7877 0.0781 0.0203 0.0008 221 GLU c CB +34050 C CG . GLU U 203 ? 0.9868 0.9372 0.8812 0.0771 0.0189 0.0012 221 GLU c CG +34051 C CD . GLU U 203 ? 1.1486 1.1080 1.0496 0.0805 0.0203 0.0002 221 GLU c CD +34052 O OE1 . GLU U 203 ? 1.0889 1.0493 0.9887 0.0835 0.0228 -0.0007 221 GLU c OE1 +34053 O OE2 . GLU U 203 ? 1.2852 1.2510 1.1926 0.0803 0.0189 0.0002 221 GLU c OE2 +34054 N N . GLY U 204 ? 0.8056 0.7278 0.6736 0.0787 0.0198 0.0005 222 GLY c N +34055 C CA . GLY U 204 ? 0.7968 0.7100 0.6562 0.0791 0.0202 0.0001 222 GLY c CA +34056 C C . GLY U 204 ? 0.8252 0.7394 0.6829 0.0801 0.0235 -0.0004 222 GLY c C +34057 O O . GLY U 204 ? 0.8587 0.7653 0.7089 0.0810 0.0238 -0.0010 222 GLY c O +34058 N N . TRP U 205 ? 0.7717 0.6948 0.6358 0.0799 0.0259 -0.0004 223 TRP c N +34059 C CA . TRP U 205 ? 0.9373 0.8621 0.8003 0.0803 0.0294 -0.0007 223 TRP c CA +34060 C C . TRP U 205 ? 0.8462 0.7661 0.7034 0.0851 0.0305 -0.0020 223 TRP c C +34061 O O . TRP U 205 ? 0.8634 0.7848 0.7220 0.0890 0.0299 -0.0028 223 TRP c O +34062 C CB . TRP U 205 ? 0.7917 0.7128 0.6515 0.0758 0.0296 0.0003 223 TRP c CB +34063 C CG . TRP U 205 ? 0.8536 0.7770 0.7128 0.0753 0.0331 0.0002 223 TRP c CG +34064 C CD1 . TRP U 205 ? 0.8529 0.7851 0.7186 0.0755 0.0361 0.0003 223 TRP c CD1 +34065 C CD2 . TRP U 205 ? 0.8473 0.7639 0.6991 0.0744 0.0341 0.0002 223 TRP c CD2 +34066 N NE1 . TRP U 205 ? 0.8772 0.8083 0.7396 0.0748 0.0389 0.0003 223 TRP c NE1 +34067 C CE2 . TRP U 205 ? 0.8398 0.7613 0.6935 0.0742 0.0377 0.0003 223 TRP c CE2 +34068 C CE3 . TRP U 205 ? 0.8189 0.7257 0.6624 0.0738 0.0322 0.0000 223 TRP c CE3 +34069 C CZ2 . TRP U 205 ? 0.8844 0.8012 0.7318 0.0736 0.0395 0.0003 223 TRP c CZ2 +34070 C CZ3 . TRP U 205 ? 0.9806 0.8829 0.8181 0.0731 0.0338 -0.0001 223 TRP c CZ3 +34071 C CH2 . TRP U 205 ? 0.9118 0.8190 0.7511 0.0731 0.0374 0.0001 223 TRP c CH2 +34072 N N . ILE U 206 ? 0.8180 0.7320 0.6683 0.0851 0.0319 -0.0023 224 ILE c N +34073 C CA . ILE U 206 ? 0.8781 0.7879 0.7229 0.0898 0.0333 -0.0037 224 ILE c CA +34074 C C . ILE U 206 ? 0.8294 0.7298 0.6675 0.0915 0.0304 -0.0041 224 ILE c C +34075 O O . ILE U 206 ? 0.8731 0.7704 0.7076 0.0959 0.0308 -0.0053 224 ILE c O +34076 C CB . ILE U 206 ? 0.8164 0.7234 0.6562 0.0895 0.0361 -0.0039 224 ILE c CB +34077 C CG1 . ILE U 206 ? 0.8134 0.7111 0.6457 0.0863 0.0343 -0.0035 224 ILE c CG1 +34078 C CG2 . ILE U 206 ? 0.7785 0.6944 0.6246 0.0875 0.0391 -0.0033 224 ILE c CG2 +34079 C CD1 . ILE U 206 ? 0.8262 0.7208 0.6530 0.0857 0.0368 -0.0037 224 ILE c CD1 +34080 N N . VAL U 207 ? 0.9078 0.8036 0.7442 0.0880 0.0274 -0.0033 225 VAL c N +34081 C CA . VAL U 207 ? 0.7976 0.6845 0.6279 0.0890 0.0247 -0.0037 225 VAL c CA +34082 C C . VAL U 207 ? 0.8573 0.7464 0.6904 0.0929 0.0235 -0.0041 225 VAL c C +34083 O O . VAL U 207 ? 0.8161 0.6976 0.6435 0.0951 0.0219 -0.0047 225 VAL c O +34084 C CB . VAL U 207 ? 0.8416 0.7245 0.6708 0.0841 0.0220 -0.0026 225 VAL c CB +34085 C CG1 . VAL U 207 ? 0.7905 0.6635 0.6129 0.0845 0.0193 -0.0030 225 VAL c CG1 +34086 C CG2 . VAL U 207 ? 0.8728 0.7542 0.6995 0.0805 0.0231 -0.0022 225 VAL c CG2 +34087 N N . SER U 208 ? 0.7303 0.6293 0.5718 0.0938 0.0244 -0.0040 226 SER c N +34088 C CA . SER U 208 ? 0.7971 0.6991 0.6419 0.0975 0.0232 -0.0044 226 SER c CA +34089 C C . SER U 208 ? 0.9532 0.8553 0.7962 0.1034 0.0250 -0.0058 226 SER c C +34090 O O . SER U 208 ? 0.9691 0.8732 0.8142 0.1070 0.0239 -0.0063 226 SER c O +34091 C CB . SER U 208 ? 0.7755 0.6886 0.6304 0.0961 0.0233 -0.0038 226 SER c CB +34092 O OG . SER U 208 ? 0.8481 0.7694 0.7081 0.0969 0.0265 -0.0041 226 SER c OG +34093 N N . VAL U 209 ? 0.9009 0.8009 0.7398 0.1045 0.0276 -0.0065 227 VAL c N +34094 C CA . VAL U 209 ? 0.8800 0.7811 0.7179 0.1102 0.0296 -0.0079 227 VAL c CA +34095 C C . VAL U 209 ? 0.8626 0.7554 0.6943 0.1139 0.0273 -0.0086 227 VAL c C +34096 O O . VAL U 209 ? 0.8708 0.7534 0.6947 0.1126 0.0257 -0.0085 227 VAL c O +34097 C CB . VAL U 209 ? 0.9590 0.8583 0.7927 0.1105 0.0328 -0.0085 227 VAL c CB +34098 C CG1 . VAL U 209 ? 0.7709 0.6588 0.5952 0.1081 0.0317 -0.0083 227 VAL c CG1 +34099 C CG2 . VAL U 209 ? 0.8455 0.7459 0.6780 0.1165 0.0350 -0.0100 227 VAL c CG2 +34100 N N . ASN U 210 ? 0.7974 0.6946 0.6327 0.1184 0.0270 -0.0092 228 ASN c N +34101 C CA . ASN U 210 ? 0.9248 0.8151 0.7556 0.1216 0.0243 -0.0096 228 ASN c CA +34102 C C . ASN U 210 ? 0.9232 0.8125 0.7515 0.1283 0.0254 -0.0111 228 ASN c C +34103 O O . ASN U 210 ? 0.9714 0.8567 0.7973 0.1316 0.0233 -0.0114 228 ASN c O +34104 C CB . ASN U 210 ? 0.8071 0.7021 0.6440 0.1204 0.0216 -0.0087 228 ASN c CB +34105 C CG . ASN U 210 ? 0.8223 0.7300 0.6692 0.1225 0.0228 -0.0090 228 ASN c CG +34106 O OD1 . ASN U 210 ? 0.9940 0.9079 0.8442 0.1239 0.0258 -0.0097 228 ASN c OD1 +34107 N ND2 . ASN U 210 ? 0.9547 0.8662 0.8064 0.1224 0.0204 -0.0085 228 ASN c ND2 +34108 N N . ASN U 211 ? 0.9339 0.8266 0.7627 0.1304 0.0287 -0.0120 229 ASN c N +34109 C CA . ASN U 211 ? 0.9830 0.8739 0.8086 0.1368 0.0300 -0.0135 229 ASN c CA +34110 C C . ASN U 211 ? 0.9025 0.7916 0.7240 0.1375 0.0334 -0.0143 229 ASN c C +34111 O O . ASN U 211 ? 0.8901 0.7834 0.7143 0.1337 0.0354 -0.0138 229 ASN c O +34112 C CB . ASN U 211 ? 0.7591 0.6613 0.5937 0.1407 0.0305 -0.0141 229 ASN c CB +34113 C CG . ASN U 211 ? 0.8824 0.7964 0.7257 0.1385 0.0334 -0.0139 229 ASN c CG +34114 O OD1 . ASN U 211 ? 1.0541 0.9712 0.8977 0.1407 0.0367 -0.0149 229 ASN c OD1 +34115 N ND2 . ASN U 211 ? 0.9540 0.8742 0.8042 0.1340 0.0323 -0.0128 229 ASN c ND2 +34116 N N . LEU U 212 ? 1.0192 0.9017 0.8338 0.1424 0.0341 -0.0156 230 LEU c N +34117 C CA . LEU U 212 ? 0.8923 0.7711 0.7013 0.1431 0.0371 -0.0165 230 LEU c CA +34118 C C . LEU U 212 ? 0.9867 0.8765 0.8025 0.1450 0.0409 -0.0171 230 LEU c C +34119 O O . LEU U 212 ? 1.0181 0.9076 0.8317 0.1434 0.0437 -0.0172 230 LEU c O +34120 C CB . LEU U 212 ? 1.0587 0.9266 0.8579 0.1478 0.0365 -0.0177 230 LEU c CB +34121 C CG . LEU U 212 ? 0.9303 0.7860 0.7215 0.1456 0.0331 -0.0172 230 LEU c CG +34122 C CD1 . LEU U 212 ? 0.9739 0.8187 0.7554 0.1504 0.0328 -0.0185 230 LEU c CD1 +34123 C CD2 . LEU U 212 ? 1.0656 0.9174 0.8538 0.1395 0.0331 -0.0163 230 LEU c CD2 +34124 N N . GLU U 213 ? 0.9057 0.8053 0.7298 0.1482 0.0412 -0.0175 231 GLU c N +34125 C CA . GLU U 213 ? 0.8966 0.8076 0.7282 0.1495 0.0450 -0.0181 231 GLU c CA +34126 C C . GLU U 213 ? 1.0907 1.0073 0.9270 0.1434 0.0466 -0.0169 231 GLU c C +34127 O O . GLU U 213 ? 0.9594 0.8798 0.7965 0.1431 0.0503 -0.0172 231 GLU c O +34128 C CB . GLU U 213 ? 0.9149 0.8361 0.7557 0.1531 0.0444 -0.0186 231 GLU c CB +34129 C CG . GLU U 213 ? 0.9428 0.8610 0.7802 0.1603 0.0441 -0.0202 231 GLU c CG +34130 C CD . GLU U 213 ? 1.0013 0.9081 0.8310 0.1615 0.0401 -0.0199 231 GLU c CD +34131 O OE1 . GLU U 213 ? 1.2711 1.1749 1.1005 0.1570 0.0373 -0.0186 231 GLU c OE1 +34132 O OE2 . GLU U 213 ? 1.2527 1.1532 1.0763 0.1669 0.0399 -0.0211 231 GLU c OE2 +34133 N N . ASP U 214 ? 0.9780 0.8953 0.8172 0.1385 0.0439 -0.0155 232 ASP c N +34134 C CA . ASP U 214 ? 0.8465 0.7680 0.6894 0.1326 0.0451 -0.0142 232 ASP c CA +34135 C C . ASP U 214 ? 0.8061 0.7185 0.6402 0.1299 0.0461 -0.0139 232 ASP c C +34136 O O . ASP U 214 ? 0.8879 0.8036 0.7232 0.1275 0.0490 -0.0136 232 ASP c O +34137 C CB . ASP U 214 ? 0.9432 0.8667 0.7907 0.1284 0.0418 -0.0128 232 ASP c CB +34138 C CG . ASP U 214 ? 1.2108 1.1458 1.0689 0.1298 0.0414 -0.0130 232 ASP c CG +34139 O OD1 . ASP U 214 ? 0.9592 0.9022 0.8223 0.1333 0.0442 -0.0140 232 ASP c OD1 +34140 O OD2 . ASP U 214 ? 0.9967 0.9331 0.8583 0.1275 0.0384 -0.0121 232 ASP c OD2 +34141 N N . VAL U 215 ? 0.8681 0.7688 0.6931 0.1304 0.0437 -0.0141 233 VAL c N +34142 C CA . VAL U 215 ? 0.8732 0.7647 0.6893 0.1281 0.0442 -0.0140 233 VAL c CA +34143 C C . VAL U 215 ? 1.0285 0.9205 0.8416 0.1312 0.0482 -0.0152 233 VAL c C +34144 O O . VAL U 215 ? 1.0079 0.9004 0.8198 0.1285 0.0505 -0.0148 233 VAL c O +34145 C CB . VAL U 215 ? 0.9477 0.8267 0.7547 0.1286 0.0410 -0.0142 233 VAL c CB +34146 C CG1 . VAL U 215 ? 0.9133 0.7825 0.7105 0.1274 0.0417 -0.0147 233 VAL c CG1 +34147 C CG2 . VAL U 215 ? 0.8939 0.7719 0.7033 0.1247 0.0373 -0.0129 233 VAL c CG2 +34148 N N . VAL U 216 ? 0.9305 0.8218 0.7420 0.1372 0.0491 -0.0166 234 VAL c N +34149 C CA . VAL U 216 ? 0.9381 0.8295 0.7464 0.1407 0.0529 -0.0179 234 VAL c CA +34150 C C . VAL U 216 ? 0.9745 0.8775 0.7910 0.1392 0.0566 -0.0175 234 VAL c C +34151 O O . VAL U 216 ? 0.9168 0.8190 0.7303 0.1378 0.0595 -0.0176 234 VAL c O +34152 C CB . VAL U 216 ? 0.9664 0.8568 0.7732 0.1476 0.0531 -0.0194 234 VAL c CB +34153 C CG1 . VAL U 216 ? 1.0121 0.9044 0.8171 0.1513 0.0575 -0.0208 234 VAL c CG1 +34154 C CG2 . VAL U 216 ? 0.8900 0.7676 0.6874 0.1490 0.0498 -0.0198 234 VAL c CG2 +34155 N N . GLY U 217 ? 0.8820 0.7958 0.7088 0.1394 0.0565 -0.0173 235 GLY c N +34156 C CA . GLY U 217 ? 0.9506 0.8758 0.7857 0.1380 0.0601 -0.0170 235 GLY c CA +34157 C C . GLY U 217 ? 1.0037 0.9290 0.8390 0.1316 0.0607 -0.0155 235 GLY c C +34158 O O . GLY U 217 ? 1.0279 0.9590 0.8662 0.1303 0.0644 -0.0154 235 GLY c O +34159 N N . GLY U 218 ? 1.0179 0.9369 0.8501 0.1277 0.0572 -0.0144 236 GLY c N +34160 C CA . GLY U 218 ? 0.9445 0.8628 0.7761 0.1218 0.0575 -0.0130 236 GLY c CA +34161 C C . GLY U 218 ? 1.0444 0.9551 0.8670 0.1215 0.0595 -0.0133 236 GLY c C +34162 O O . GLY U 218 ? 0.8697 0.7828 0.6930 0.1181 0.0618 -0.0125 236 GLY c O +34163 N N . HIS U 219 ? 0.9809 0.8823 0.7947 0.1249 0.0588 -0.0144 237 HIS c N +34164 C CA . HIS U 219 ? 1.0929 0.9866 0.8974 0.1250 0.0607 -0.0149 237 HIS c CA +34165 C C . HIS U 219 ? 1.1628 1.0616 0.9683 0.1283 0.0656 -0.0158 237 HIS c C +34166 O O . HIS U 219 ? 1.0857 0.9810 0.8856 0.1273 0.0679 -0.0159 237 HIS c O +34167 C CB . HIS U 219 ? 0.9000 0.7816 0.6947 0.1274 0.0581 -0.0159 237 HIS c CB +34168 C CG . HIS U 219 ? 1.1754 1.0498 0.9666 0.1232 0.0539 -0.0149 237 HIS c CG +34169 N ND1 . HIS U 219 ? 0.8943 0.7691 0.6891 0.1225 0.0504 -0.0144 237 HIS c ND1 +34170 C CD2 . HIS U 219 ? 1.0298 0.8965 0.8142 0.1196 0.0527 -0.0144 237 HIS c CD2 +34171 C CE1 . HIS U 219 ? 0.8720 0.7398 0.6626 0.1185 0.0474 -0.0136 237 HIS c CE1 +34172 N NE2 . HIS U 219 ? 0.8841 0.7471 0.6685 0.1167 0.0487 -0.0137 237 HIS c NE2 +34173 N N . ILE U 220 ? 0.9963 0.9035 0.8088 0.1322 0.0671 -0.0166 238 ILE c N +34174 C CA . ILE U 220 ? 0.9027 0.8168 0.7180 0.1346 0.0721 -0.0174 238 ILE c CA +34175 C C . ILE U 220 ? 1.0357 0.9572 0.8568 0.1298 0.0745 -0.0161 238 ILE c C +34176 O O . ILE U 220 ? 0.9448 0.8665 0.7632 0.1294 0.0783 -0.0161 238 ILE c O +34177 C CB . ILE U 220 ? 0.9034 0.8254 0.7257 0.1398 0.0729 -0.0186 238 ILE c CB +34178 C CG1 . ILE U 220 ? 0.8710 0.7847 0.6860 0.1452 0.0713 -0.0201 238 ILE c CG1 +34179 C CG2 . ILE U 220 ? 0.9661 0.8980 0.7941 0.1413 0.0780 -0.0192 238 ILE c CG2 +34180 C CD1 . ILE U 220 ? 0.9508 0.8708 0.7722 0.1500 0.0706 -0.0211 238 ILE c CD1 +34181 N N . TRP U 221 ? 0.9890 0.9160 0.8175 0.1260 0.0723 -0.0148 239 TRP c N +34182 C CA . TRP U 221 ? 1.1315 1.0650 0.9653 0.1212 0.0744 -0.0135 239 TRP c CA +34183 C C . TRP U 221 ? 0.9253 0.8504 0.7509 0.1172 0.0742 -0.0125 239 TRP c C +34184 O O . TRP U 221 ? 1.0229 0.9501 0.8480 0.1154 0.0777 -0.0120 239 TRP c O +34185 C CB . TRP U 221 ? 0.9712 0.9117 0.8142 0.1180 0.0718 -0.0124 239 TRP c CB +34186 C CG . TRP U 221 ? 1.0220 0.9744 0.8755 0.1202 0.0736 -0.0131 239 TRP c CG +34187 C CD1 . TRP U 221 ? 1.0454 1.0012 0.9033 0.1240 0.0716 -0.0140 239 TRP c CD1 +34188 C CD2 . TRP U 221 ? 0.9511 0.9139 0.8123 0.1187 0.0776 -0.0129 239 TRP c CD2 +34189 N NE1 . TRP U 221 ? 1.0436 1.0117 0.9117 0.1251 0.0740 -0.0145 239 TRP c NE1 +34190 C CE2 . TRP U 221 ? 1.0042 0.9768 0.8746 0.1217 0.0778 -0.0138 239 TRP c CE2 +34191 C CE3 . TRP U 221 ? 1.1807 1.1454 1.0419 0.1151 0.0811 -0.0120 239 TRP c CE3 +34192 C CZ2 . TRP U 221 ? 1.0562 1.0407 0.9361 0.1211 0.0813 -0.0140 239 TRP c CZ2 +34193 C CZ3 . TRP U 221 ? 1.0496 1.0258 0.9199 0.1144 0.0847 -0.0121 239 TRP c CZ3 +34194 C CH2 . TRP U 221 ? 1.2439 1.2300 1.1237 0.1173 0.0849 -0.0131 239 TRP c CH2 +34195 N N . ILE U 222 ? 0.9900 0.9056 0.8091 0.1159 0.0702 -0.0122 240 ILE c N +34196 C CA . ILE U 222 ? 1.1189 1.0266 0.9304 0.1122 0.0695 -0.0113 240 ILE c CA +34197 C C . ILE U 222 ? 1.0102 0.9128 0.8135 0.1145 0.0728 -0.0123 240 ILE c C +34198 O O . ILE U 222 ? 1.0131 0.9150 0.8138 0.1118 0.0750 -0.0115 240 ILE c O +34199 C CB . ILE U 222 ? 1.0984 0.9970 0.9047 0.1107 0.0645 -0.0111 240 ILE c CB +34200 C CG1 . ILE U 222 ? 1.0216 0.9246 0.8349 0.1063 0.0617 -0.0096 240 ILE c CG1 +34201 C CG2 . ILE U 222 ? 1.1087 0.9971 0.9047 0.1089 0.0639 -0.0110 240 ILE c CG2 +34202 C CD1 . ILE U 222 ? 1.1461 1.0546 0.9635 0.1019 0.0638 -0.0083 240 ILE c CD1 +34203 N N . GLY U 223 ? 1.0089 0.9079 0.8080 0.1196 0.0733 -0.0139 241 GLY c N +34204 C CA . GLY U 223 ? 1.0818 0.9757 0.8728 0.1223 0.0765 -0.0149 241 GLY c CA +34205 C C . GLY U 223 ? 0.9844 0.8862 0.7794 0.1221 0.0817 -0.0147 241 GLY c C +34206 O O . GLY U 223 ? 0.9874 0.8854 0.7763 0.1209 0.0840 -0.0144 241 GLY c O +34207 N N . LEU U 224 ? 0.9784 0.8914 0.7837 0.1233 0.0836 -0.0148 242 LEU c N +34208 C CA . LEU U 224 ? 1.0143 0.9357 0.8244 0.1229 0.0888 -0.0146 242 LEU c CA +34209 C C . LEU U 224 ? 1.0433 0.9666 0.8553 0.1170 0.0893 -0.0127 242 LEU c C +34210 O O . LEU U 224 ? 1.0322 0.9563 0.8420 0.1158 0.0932 -0.0124 242 LEU c O +34211 C CB . LEU U 224 ? 0.9880 0.9212 0.8091 0.1255 0.0903 -0.0153 242 LEU c CB +34212 C CG . LEU U 224 ? 1.2347 1.1660 1.0537 0.1319 0.0900 -0.0171 242 LEU c CG +34213 C CD1 . LEU U 224 ? 1.2415 1.1851 1.0717 0.1348 0.0917 -0.0180 242 LEU c CD1 +34214 C CD2 . LEU U 224 ? 0.9962 0.9206 0.8056 0.1352 0.0929 -0.0183 242 LEU c CD2 +34215 N N . ILE U 225 ? 0.9623 0.8865 0.7784 0.1132 0.0855 -0.0115 243 ILE c N +34216 C CA . ILE U 225 ? 0.9078 0.8332 0.7252 0.1076 0.0857 -0.0097 243 ILE c CA +34217 C C . ILE U 225 ? 0.8859 0.8009 0.6922 0.1060 0.0856 -0.0094 243 ILE c C +34218 O O . ILE U 225 ? 1.0006 0.9162 0.8055 0.1032 0.0882 -0.0083 243 ILE c O +34219 C CB . ILE U 225 ? 1.0326 0.9604 0.8562 0.1041 0.0814 -0.0086 243 ILE c CB +34220 C CG1 . ILE U 225 ? 1.0162 0.9555 0.8514 0.1052 0.0820 -0.0089 243 ILE c CG1 +34221 C CG2 . ILE U 225 ? 0.8377 0.7650 0.6613 0.0984 0.0811 -0.0068 243 ILE c CG2 +34222 C CD1 . ILE U 225 ? 1.1090 1.0501 0.9497 0.1029 0.0775 -0.0082 243 ILE c CD1 +34223 N N . CYS U 226 ? 0.8760 0.7811 0.6737 0.1080 0.0827 -0.0102 244 CYS c N +34224 C CA . CYS U 226 ? 0.9689 0.8638 0.7559 0.1066 0.0821 -0.0100 244 CYS c CA +34225 C C . CYS U 226 ? 1.2076 1.1005 0.9884 0.1091 0.0867 -0.0108 244 CYS c C +34226 O O . CYS U 226 ? 1.1128 1.0020 0.8882 0.1066 0.0880 -0.0100 244 CYS c O +34227 C CB . CYS U 226 ? 1.0075 0.8926 0.7875 0.1079 0.0775 -0.0109 244 CYS c CB +34228 S SG . CYS U 226 ? 1.1233 1.0070 0.9066 0.1034 0.0718 -0.0096 244 CYS c SG +34229 N N A ILE U 227 ? 1.0885 0.9835 0.8696 0.1141 0.0892 -0.0123 245 ILE c N +34230 N N B ILE U 227 ? 1.0886 0.9834 0.8696 0.1141 0.0891 -0.0123 245 ILE c N +34231 C CA A ILE U 227 ? 1.0732 0.9668 0.8488 0.1165 0.0940 -0.0131 245 ILE c CA +34232 C CA B ILE U 227 ? 1.0729 0.9667 0.8487 0.1166 0.0940 -0.0131 245 ILE c CA +34233 C C A ILE U 227 ? 1.0894 0.9917 0.8709 0.1141 0.0985 -0.0119 245 ILE c C +34234 C C B ILE U 227 ? 1.0890 0.9911 0.8705 0.1139 0.0983 -0.0119 245 ILE c C +34235 O O A ILE U 227 ? 1.1723 1.0718 0.9481 0.1133 0.1016 -0.0116 245 ILE c O +34236 O O B ILE U 227 ? 1.1686 1.0675 0.9441 0.1128 0.1012 -0.0115 245 ILE c O +34237 C CB A ILE U 227 ? 1.1013 0.9954 0.8761 0.1226 0.0957 -0.0151 245 ILE c CB +34238 C CB B ILE U 227 ? 1.0980 0.9935 0.8743 0.1226 0.0958 -0.0150 245 ILE c CB +34239 C CG1 A ILE U 227 ? 1.0439 0.9500 0.8308 0.1244 0.0970 -0.0153 245 ILE c CG1 +34240 C CG1 B ILE U 227 ? 0.9840 0.8702 0.7537 0.1251 0.0914 -0.0161 245 ILE c CG1 +34241 C CG2 A ILE U 227 ? 0.9929 0.8771 0.7605 0.1249 0.0913 -0.0161 245 ILE c CG2 +34242 C CG2 B ILE U 227 ? 0.8817 0.7766 0.6528 0.1253 0.1011 -0.0158 245 ILE c CG2 +34243 C CD1 A ILE U 227 ? 1.0131 0.9279 0.8047 0.1257 0.1030 -0.0156 245 ILE c CD1 +34244 C CD1 B ILE U 227 ? 0.9424 0.8309 0.7143 0.1308 0.0921 -0.0178 245 ILE c CD1 +34245 N N . ALA U 228 ? 0.9756 0.8883 0.7686 0.1126 0.0987 -0.0113 246 ALA c N +34246 C CA . ALA U 228 ? 0.9173 0.8383 0.7165 0.1099 0.1029 -0.0102 246 ALA c CA +34247 C C . ALA U 228 ? 1.2065 1.1238 1.0026 0.1045 0.1019 -0.0083 246 ALA c C +34248 O O . ALA U 228 ? 1.1057 1.0237 0.8997 0.1027 0.1057 -0.0076 246 ALA c O +34249 C CB . ALA U 228 ? 0.8950 0.8280 0.7073 0.1096 0.1032 -0.0102 246 ALA c CB +34250 N N . GLY U 229 ? 1.0632 0.9764 0.8588 0.1018 0.0967 -0.0076 247 GLY c N +34251 C CA . GLY U 229 ? 1.0068 0.9159 0.7989 0.0970 0.0954 -0.0059 247 GLY c CA +34252 C C . GLY U 229 ? 0.9545 0.8532 0.7342 0.0975 0.0959 -0.0061 247 GLY c C +34253 O O . GLY U 229 ? 1.0135 0.9101 0.7898 0.0944 0.0972 -0.0049 247 GLY c O +34254 N N . GLY U 230 ? 0.9802 0.8718 0.7527 0.1013 0.0947 -0.0077 248 GLY c N +34255 C CA . GLY U 230 ? 1.1253 1.0073 0.8859 0.1022 0.0954 -0.0081 248 GLY c CA +34256 C C . GLY U 230 ? 1.2173 1.1017 0.9758 0.1032 0.1014 -0.0080 248 GLY c C +34257 O O . GLY U 230 ? 1.0908 0.9700 0.8421 0.1014 0.1025 -0.0073 248 GLY c O +34258 N N . ILE U 231 ? 1.0464 0.9389 0.8113 0.1061 0.1052 -0.0088 249 ILE c N +34259 C CA . ILE U 231 ? 1.1119 1.0079 0.8761 0.1069 0.1113 -0.0088 249 ILE c CA +34260 C C . ILE U 231 ? 1.1067 1.0073 0.8750 0.1020 0.1132 -0.0068 249 ILE c C +34261 O O . ILE U 231 ? 1.0824 0.9798 0.8446 0.1008 0.1164 -0.0061 249 ILE c O +34262 C CB . ILE U 231 ? 1.1333 1.0381 0.9050 0.1109 0.1147 -0.0101 249 ILE c CB +34263 C CG1 . ILE U 231 ? 1.0227 0.9215 0.7878 0.1163 0.1140 -0.0122 249 ILE c CG1 +34264 C CG2 . ILE U 231 ? 1.0345 0.9462 0.8092 0.1106 0.1212 -0.0098 249 ILE c CG2 +34265 C CD1 . ILE U 231 ? 1.1224 1.0296 0.8956 0.1204 0.1157 -0.0136 249 ILE c CD1 +34266 N N . TRP U 232 ? 1.0860 0.9937 0.8642 0.0991 0.1112 -0.0058 250 TRP c N +34267 C CA . TRP U 232 ? 0.9811 0.8926 0.7634 0.0942 0.1123 -0.0039 250 TRP c CA +34268 C C . TRP U 232 ? 0.9851 0.8869 0.7576 0.0913 0.1105 -0.0027 250 TRP c C +34269 O O . TRP U 232 ? 1.0914 0.9932 0.8618 0.0888 0.1136 -0.0014 250 TRP c O +34270 C CB . TRP U 232 ? 0.9673 0.8857 0.7603 0.0916 0.1090 -0.0032 250 TRP c CB +34271 C CG . TRP U 232 ? 1.0432 0.9635 0.8392 0.0863 0.1087 -0.0012 250 TRP c CG +34272 C CD1 . TRP U 232 ? 0.9165 0.8308 0.7088 0.0830 0.1045 0.0000 250 TRP c CD1 +34273 C CD2 . TRP U 232 ? 1.0147 0.9433 0.8177 0.0836 0.1129 -0.0002 250 TRP c CD2 +34274 N NE1 . TRP U 232 ? 1.0414 0.9595 0.8379 0.0786 0.1057 0.0017 250 TRP c NE1 +34275 C CE2 . TRP U 232 ? 1.0239 0.9506 0.8268 0.0788 0.1109 0.0017 250 TRP c CE2 +34276 C CE3 . TRP U 232 ? 1.0226 0.9600 0.8320 0.0848 0.1182 -0.0007 250 TRP c CE3 +34277 C CZ2 . TRP U 232 ? 1.0741 1.0070 0.8829 0.0752 0.1140 0.0031 250 TRP c CZ2 +34278 C CZ3 . TRP U 232 ? 0.9401 0.8840 0.7556 0.0810 0.1213 0.0007 250 TRP c CZ3 +34279 C CH2 . TRP U 232 ? 1.1019 1.0433 0.9168 0.0762 0.1191 0.0025 250 TRP c CH2 +34280 N N . HIS U 233 ? 1.0264 0.9200 0.7928 0.0917 0.1055 -0.0031 251 HIS c N +34281 C CA . HIS U 233 ? 1.1675 1.0528 0.9257 0.0887 0.1031 -0.0020 251 HIS c CA +34282 C C . HIS U 233 ? 1.1253 1.0024 0.8716 0.0906 0.1055 -0.0025 251 HIS c C +34283 O O . HIS U 233 ? 1.0217 0.8935 0.7617 0.0881 0.1053 -0.0014 251 HIS c O +34284 C CB . HIS U 233 ? 0.9007 0.7809 0.6578 0.0877 0.0967 -0.0022 251 HIS c CB +34285 C CG . HIS U 233 ? 1.0822 0.9681 0.8483 0.0838 0.0941 -0.0008 251 HIS c CG +34286 N ND1 . HIS U 233 ? 0.9944 0.8829 0.7628 0.0798 0.0954 0.0010 251 HIS c ND1 +34287 C CD2 . HIS U 233 ? 0.9572 0.8467 0.7306 0.0834 0.0905 -0.0010 251 HIS c CD2 +34288 C CE1 . HIS U 233 ? 1.1377 1.0312 0.9144 0.0771 0.0927 0.0018 251 HIS c CE1 +34289 N NE2 . HIS U 233 ? 1.0419 0.9361 0.8217 0.0792 0.0896 0.0006 251 HIS c NE2 +34290 N N . ILE U 234 ? 1.0262 0.9019 0.7691 0.0952 0.1077 -0.0042 252 ILE c N +34291 C CA . ILE U 234 ? 0.9573 0.8264 0.6895 0.0972 0.1110 -0.0047 252 ILE c CA +34292 C C . ILE U 234 ? 1.0731 0.9475 0.8073 0.0958 0.1169 -0.0036 252 ILE c C +34293 O O . ILE U 234 ? 1.1452 1.0141 0.8714 0.0945 0.1187 -0.0027 252 ILE c O +34294 C CB . ILE U 234 ? 1.0859 0.9525 0.8144 0.1025 0.1119 -0.0070 252 ILE c CB +34295 C CG1 . ILE U 234 ? 0.9776 0.8359 0.7006 0.1036 0.1061 -0.0081 252 ILE c CG1 +34296 C CG2 . ILE U 234 ? 1.1417 1.0038 0.8609 0.1048 0.1166 -0.0075 252 ILE c CG2 +34297 C CD1 . ILE U 234 ? 1.1201 0.9770 0.8414 0.1088 0.1064 -0.0102 252 ILE c CD1 +34298 N N . LEU U 235 ? 1.1058 0.9910 0.8508 0.0959 0.1201 -0.0035 253 LEU c N +34299 C CA . LEU U 235 ? 0.9812 0.8721 0.7287 0.0950 0.1263 -0.0027 253 LEU c CA +34300 C C . LEU U 235 ? 1.0955 0.9891 0.8467 0.0897 0.1266 -0.0005 253 LEU c C +34301 O O . LEU U 235 ? 1.1024 0.9987 0.8535 0.0884 0.1317 0.0004 253 LEU c O +34302 C CB . LEU U 235 ? 1.1061 1.0080 0.8642 0.0973 0.1297 -0.0038 253 LEU c CB +34303 C CG . LEU U 235 ? 1.0838 0.9837 0.8380 0.1030 0.1311 -0.0060 253 LEU c CG +34304 C CD1 . LEU U 235 ? 1.1674 1.0788 0.9324 0.1053 0.1347 -0.0069 253 LEU c CD1 +34305 C CD2 . LEU U 235 ? 0.9928 0.8850 0.7351 0.1046 0.1346 -0.0062 253 LEU c CD2 +34306 N N . THR U 236 ? 1.1246 1.0177 0.8790 0.0866 0.1215 0.0004 254 THR c N +34307 C CA . THR U 236 ? 0.9938 0.8897 0.7520 0.0817 0.1219 0.0025 254 THR c CA +34308 C C . THR U 236 ? 1.0042 0.8905 0.7539 0.0793 0.1178 0.0036 254 THR c C +34309 O O . THR U 236 ? 0.9557 0.8335 0.6966 0.0813 0.1147 0.0027 254 THR c O +34310 C CB . THR U 236 ? 1.0647 0.9701 0.8360 0.0796 0.1200 0.0029 254 THR c CB +34311 O OG1 . THR U 236 ? 1.0359 0.9384 0.8078 0.0802 0.1139 0.0022 254 THR c OG1 +34312 C CG2 . THR U 236 ? 0.9925 0.9082 0.7731 0.0817 0.1241 0.0018 254 THR c CG2 +34313 N N . THR U 237 ? 0.9354 0.8234 0.6877 0.0750 0.1177 0.0055 255 THR c N +34314 C CA . THR U 237 ? 1.0606 0.9413 0.8070 0.0722 0.1137 0.0067 255 THR c CA +34315 C C . THR U 237 ? 1.1596 1.0462 0.9155 0.0681 0.1116 0.0081 255 THR c C +34316 O O . THR U 237 ? 1.0340 0.9295 0.7990 0.0668 0.1148 0.0086 255 THR c O +34317 C CB . THR U 237 ? 1.0477 0.9220 0.7841 0.0714 0.1169 0.0078 255 THR c CB +34318 O OG1 . THR U 237 ? 1.3427 1.2066 1.0687 0.0717 0.1127 0.0077 255 THR c OG1 +34319 C CG2 . THR U 237 ? 0.8955 0.7736 0.6360 0.0671 0.1192 0.0100 255 THR c CG2 +34320 N N . PRO U 238 ? 1.0461 0.9283 0.8004 0.0662 0.1061 0.0087 256 PRO c N +34321 C CA . PRO U 238 ? 1.0764 0.9640 0.8398 0.0626 0.1036 0.0098 256 PRO c CA +34322 C C . PRO U 238 ? 1.1301 1.0226 0.8978 0.0592 0.1074 0.0115 256 PRO c C +34323 O O . PRO U 238 ? 1.0982 0.9862 0.8589 0.0581 0.1100 0.0126 256 PRO c O +34324 C CB . PRO U 238 ? 0.9746 0.8544 0.7322 0.0612 0.0978 0.0102 256 PRO c CB +34325 C CG . PRO U 238 ? 1.1138 0.9867 0.8634 0.0648 0.0961 0.0085 256 PRO c CG +34326 C CD . PRO U 238 ? 1.0804 0.9529 0.8254 0.0676 0.1016 0.0079 256 PRO c CD +34327 N N . PHE U 239 ? 1.0036 0.9052 0.7828 0.0575 0.1078 0.0118 257 PHE c N +34328 C CA . PHE U 239 ? 1.0553 0.9621 0.8398 0.0538 0.1109 0.0134 257 PHE c CA +34329 C C . PHE U 239 ? 1.1929 1.0948 0.9744 0.0502 0.1077 0.0151 257 PHE c C +34330 O O . PHE U 239 ? 1.0265 0.9229 0.8043 0.0503 0.1026 0.0149 257 PHE c O +34331 C CB . PHE U 239 ? 0.9422 0.8600 0.7398 0.0530 0.1116 0.0130 257 PHE c CB +34332 C CG . PHE U 239 ? 1.1198 1.0433 0.9214 0.0565 0.1145 0.0113 257 PHE c CG +34333 C CD1 . PHE U 239 ? 1.3963 1.3216 1.1961 0.0576 0.1205 0.0112 257 PHE c CD1 +34334 C CD2 . PHE U 239 ? 1.1350 1.0620 0.9421 0.0589 0.1114 0.0098 257 PHE c CD2 +34335 C CE1 . PHE U 239 ? 1.3455 1.2765 1.1492 0.0611 0.1234 0.0095 257 PHE c CE1 +34336 C CE2 . PHE U 239 ? 1.3529 1.2852 1.1636 0.0625 0.1141 0.0082 257 PHE c CE2 +34337 C CZ . PHE U 239 ? 1.3587 1.2931 1.1678 0.0636 0.1200 0.0080 257 PHE c CZ +34338 N N . GLY U 240 ? 1.0777 0.9821 0.8613 0.0469 0.1109 0.0167 258 GLY c N +34339 C CA . GLY U 240 ? 1.0083 0.9076 0.7884 0.0436 0.1084 0.0185 258 GLY c CA +34340 C C . GLY U 240 ? 1.2075 1.1089 0.9940 0.0418 0.1030 0.0186 258 GLY c C +34341 O O . GLY U 240 ? 0.9827 0.8779 0.7643 0.0407 0.0988 0.0192 258 GLY c O +34342 N N . TRP U 241 ? 1.1806 1.0910 0.9782 0.0414 0.1029 0.0180 259 TRP c N +34343 C CA . TRP U 241 ? 1.1148 1.0273 0.9185 0.0397 0.0978 0.0180 259 TRP c CA +34344 C C . TRP U 241 ? 0.9711 0.8778 0.7700 0.0421 0.0927 0.0169 259 TRP c C +34345 O O . TRP U 241 ? 1.1221 1.0252 0.9198 0.0404 0.0882 0.0175 259 TRP c O +34346 C CB . TRP U 241 ? 1.0285 0.9516 0.8445 0.0394 0.0987 0.0174 259 TRP c CB +34347 C CG . TRP U 241 ? 1.0603 0.9876 0.8795 0.0432 0.0998 0.0155 259 TRP c CG +34348 C CD1 . TRP U 241 ? 1.0183 0.9508 0.8400 0.0448 0.1049 0.0148 259 TRP c CD1 +34349 C CD2 . TRP U 241 ? 1.0952 1.0221 0.9154 0.0460 0.0957 0.0140 259 TRP c CD2 +34350 N NE1 . TRP U 241 ? 1.0370 0.9722 0.8611 0.0485 0.1042 0.0130 259 TRP c NE1 +34351 C CE2 . TRP U 241 ? 1.0245 0.9561 0.8476 0.0493 0.0986 0.0125 259 TRP c CE2 +34352 C CE3 . TRP U 241 ? 1.0466 0.9694 0.8655 0.0459 0.0901 0.0138 259 TRP c CE3 +34353 C CZ2 . TRP U 241 ? 1.0530 0.9850 0.8774 0.0527 0.0960 0.0109 259 TRP c CZ2 +34354 C CZ3 . TRP U 241 ? 1.0956 1.0188 0.9158 0.0491 0.0875 0.0122 259 TRP c CZ3 +34355 C CH2 . TRP U 241 ? 1.1129 1.0405 0.9356 0.0525 0.0905 0.0108 259 TRP c CH2 +34356 N N . ALA U 242 ? 1.0712 0.9765 0.8668 0.0458 0.0934 0.0154 260 ALA c N +34357 C CA . ALA U 242 ? 0.9389 0.8375 0.7286 0.0480 0.0889 0.0143 260 ALA c CA +34358 C C . ALA U 242 ? 1.1245 1.0137 0.9036 0.0473 0.0873 0.0151 260 ALA c C +34359 O O . ALA U 242 ? 1.0407 0.9252 0.8171 0.0467 0.0824 0.0150 260 ALA c O +34360 C CB . ALA U 242 ? 0.9383 0.8370 0.7261 0.0522 0.0905 0.0125 260 ALA c CB +34361 N N . ARG U 243 ? 1.0809 0.9672 0.8538 0.0472 0.0914 0.0159 261 ARG c N +34362 C CA . ARG U 243 ? 1.1180 0.9950 0.8799 0.0469 0.0901 0.0165 261 ARG c CA +34363 C C . ARG U 243 ? 0.9914 0.8666 0.7541 0.0435 0.0866 0.0180 261 ARG c C +34364 O O . ARG U 243 ? 0.9769 0.8452 0.7330 0.0435 0.0826 0.0180 261 ARG c O +34365 C CB . ARG U 243 ? 1.0994 0.9742 0.8552 0.0473 0.0957 0.0173 261 ARG c CB +34366 C CG . ARG U 243 ? 1.2487 1.1231 1.0009 0.0511 0.0989 0.0158 261 ARG c CG +34367 C CD . ARG U 243 ? 1.3872 1.2564 1.1300 0.0516 0.1034 0.0165 261 ARG c CD +34368 N NE . ARG U 243 ? 1.4536 1.3290 1.2013 0.0500 0.1092 0.0175 261 ARG c NE +34369 C CZ . ARG U 243 ? 1.6133 1.4890 1.3618 0.0466 0.1107 0.0194 261 ARG c CZ +34370 N NH1 . ARG U 243 ? 1.6136 1.4840 1.3583 0.0445 0.1068 0.0206 261 ARG c NH1 +34371 N NH2 . ARG U 243 ? 1.3865 1.2681 1.1397 0.0452 0.1162 0.0202 261 ARG c NH2 +34372 N N . ARG U 244 ? 0.9162 0.7976 0.6869 0.0406 0.0880 0.0192 262 ARG c N +34373 C CA . ARG U 244 ? 1.0370 0.9173 0.8092 0.0374 0.0848 0.0206 262 ARG c CA +34374 C C . ARG U 244 ? 1.1634 1.0454 0.9410 0.0370 0.0794 0.0198 262 ARG c C +34375 O O . ARG U 244 ? 1.0165 0.8966 0.7943 0.0347 0.0761 0.0207 262 ARG c O +34376 C CB . ARG U 244 ? 1.0586 0.9448 0.8373 0.0343 0.0884 0.0220 262 ARG c CB +34377 C CG . ARG U 244 ? 1.5434 1.4274 1.3164 0.0341 0.0939 0.0230 262 ARG c CG +34378 C CD . ARG U 244 ? 1.1266 1.0155 0.9054 0.0306 0.0972 0.0246 262 ARG c CD +34379 N NE . ARG U 244 ? 1.4360 1.3346 1.2254 0.0303 0.0999 0.0239 262 ARG c NE +34380 C CZ . ARG U 244 ? 1.5481 1.4505 1.3387 0.0315 0.1052 0.0235 262 ARG c CZ +34381 N NH1 . ARG U 244 ? 1.4458 1.3428 1.2273 0.0329 0.1086 0.0237 262 ARG c NH1 +34382 N NH2 . ARG U 244 ? 1.3375 1.2493 1.1385 0.0312 0.1071 0.0227 262 ARG c NH2 +34383 N N . ALA U 245 ? 0.9348 0.8202 0.7166 0.0392 0.0785 0.0182 263 ALA c N +34384 C CA . ALA U 245 ? 1.0750 0.9623 0.8623 0.0388 0.0738 0.0176 263 ALA c CA +34385 C C . ALA U 245 ? 1.0780 0.9585 0.8589 0.0406 0.0694 0.0164 263 ALA c C +34386 O O . ALA U 245 ? 0.9375 0.8177 0.7211 0.0396 0.0650 0.0163 263 ALA c O +34387 C CB . ALA U 245 ? 0.8327 0.7283 0.6295 0.0399 0.0749 0.0167 263 ALA c CB +34388 N N . PHE U 246 ? 0.8651 0.7400 0.6374 0.0433 0.0706 0.0156 264 PHE c N +34389 C CA . PHE U 246 ? 0.9133 0.7820 0.6798 0.0451 0.0667 0.0142 264 PHE c CA +34390 C C . PHE U 246 ? 0.8696 0.7298 0.6259 0.0448 0.0651 0.0147 264 PHE c C +34391 O O . PHE U 246 ? 1.0063 0.8650 0.7588 0.0439 0.0678 0.0159 264 PHE c O +34392 C CB . PHE U 246 ? 1.0225 0.8908 0.7869 0.0489 0.0685 0.0125 264 PHE c CB +34393 C CG . PHE U 246 ? 1.1466 1.0223 0.9204 0.0498 0.0687 0.0118 264 PHE c CG +34394 C CD1 . PHE U 246 ? 1.1014 0.9767 0.8779 0.0502 0.0644 0.0108 264 PHE c CD1 +34395 C CD2 . PHE U 246 ? 0.9816 0.8645 0.7615 0.0502 0.0732 0.0120 264 PHE c CD2 +34396 C CE1 . PHE U 246 ? 0.9739 0.8556 0.7586 0.0512 0.0645 0.0101 264 PHE c CE1 +34397 C CE2 . PHE U 246 ? 1.1934 1.0832 0.9820 0.0512 0.0732 0.0112 264 PHE c CE2 +34398 C CZ . PHE U 246 ? 0.9944 0.8833 0.7851 0.0518 0.0688 0.0103 264 PHE c CZ +34399 N N . ILE U 247 ? 1.0106 0.8656 0.7628 0.0454 0.0605 0.0137 265 ILE c N +34400 C CA . ILE U 247 ? 1.0089 0.8555 0.7508 0.0458 0.0587 0.0135 265 ILE c CA +34401 C C . ILE U 247 ? 1.0374 0.8796 0.7722 0.0492 0.0600 0.0119 265 ILE c C +34402 O O . ILE U 247 ? 1.0805 0.9232 0.8170 0.0510 0.0588 0.0104 265 ILE c O +34403 C CB . ILE U 247 ? 0.9595 0.8031 0.7012 0.0443 0.0528 0.0132 265 ILE c CB +34404 C CG1 . ILE U 247 ? 0.9013 0.7491 0.6499 0.0411 0.0514 0.0147 265 ILE c CG1 +34405 C CG2 . ILE U 247 ? 0.8722 0.7072 0.6032 0.0451 0.0506 0.0127 265 ILE c CG2 +34406 C CD1 . ILE U 247 ? 0.9340 0.7813 0.6804 0.0394 0.0539 0.0165 265 ILE c CD1 +34407 N N . TRP U 248 ? 1.0144 0.8519 0.7408 0.0502 0.0626 0.0122 266 TRP c N +34408 C CA . TRP U 248 ? 0.9959 0.8295 0.7154 0.0536 0.0647 0.0108 266 TRP c CA +34409 C C . TRP U 248 ? 0.9884 0.8130 0.6979 0.0544 0.0610 0.0099 266 TRP c C +34410 O O . TRP U 248 ? 1.0794 0.8988 0.7808 0.0543 0.0616 0.0105 266 TRP c O +34411 C CB . TRP U 248 ? 0.9684 0.8033 0.6856 0.0543 0.0707 0.0117 266 TRP c CB +34412 C CG . TRP U 248 ? 0.9653 0.8095 0.6932 0.0531 0.0741 0.0126 266 TRP c CG +34413 C CD1 . TRP U 248 ? 0.9986 0.8474 0.7323 0.0500 0.0749 0.0144 266 TRP c CD1 +34414 C CD2 . TRP U 248 ? 0.9019 0.7520 0.6358 0.0551 0.0768 0.0116 266 TRP c CD2 +34415 N NE1 . TRP U 248 ? 1.0565 0.9138 0.7997 0.0498 0.0781 0.0145 266 TRP c NE1 +34416 C CE2 . TRP U 248 ? 0.9531 0.8115 0.6966 0.0530 0.0792 0.0128 266 TRP c CE2 +34417 C CE3 . TRP U 248 ? 0.9105 0.7596 0.6425 0.0586 0.0774 0.0098 266 TRP c CE3 +34418 C CZ2 . TRP U 248 ? 0.9542 0.8203 0.7057 0.0542 0.0821 0.0122 266 TRP c CZ2 +34419 C CZ3 . TRP U 248 ? 0.9234 0.7799 0.6631 0.0600 0.0804 0.0092 266 TRP c CZ3 +34420 C CH2 . TRP U 248 ? 0.8404 0.7055 0.5900 0.0578 0.0826 0.0104 266 TRP c CH2 +34421 N N . SER U 249 ? 0.9241 0.7468 0.6340 0.0551 0.0570 0.0083 267 SER c N +34422 C CA . SER U 249 ? 0.9385 0.7530 0.6395 0.0559 0.0531 0.0071 267 SER c CA +34423 C C . SER U 249 ? 0.9176 0.7310 0.6196 0.0574 0.0506 0.0051 267 SER c C +34424 O O . SER U 249 ? 0.9682 0.7872 0.6785 0.0574 0.0508 0.0049 267 SER c O +34425 C CB . SER U 249 ? 1.0532 0.8657 0.7537 0.0531 0.0489 0.0079 267 SER c CB +34426 O OG . SER U 249 ? 0.9591 0.7750 0.6672 0.0514 0.0451 0.0076 267 SER c OG +34427 N N . GLY U 250 ? 1.0064 0.8122 0.6997 0.0588 0.0480 0.0036 268 GLY c N +34428 C CA . GLY U 250 ? 0.9341 0.7376 0.6270 0.0603 0.0456 0.0016 268 GLY c CA +34429 C C . GLY U 250 ? 1.0777 0.8842 0.7782 0.0581 0.0416 0.0015 268 GLY c C +34430 O O . GLY U 250 ? 0.9094 0.7181 0.6145 0.0590 0.0412 0.0007 268 GLY c O +34431 N N . GLU U 251 ? 0.9802 0.7868 0.6820 0.0553 0.0385 0.0025 269 GLU c N +34432 C CA . GLU U 251 ? 1.0162 0.8258 0.7253 0.0530 0.0348 0.0025 269 GLU c CA +34433 C C . GLU U 251 ? 0.9194 0.7374 0.6390 0.0521 0.0370 0.0037 269 GLU c C +34434 O O . GLU U 251 ? 0.9665 0.7873 0.6923 0.0516 0.0351 0.0032 269 GLU c O +34435 C CB . GLU U 251 ? 0.8516 0.6593 0.5594 0.0503 0.0311 0.0031 269 GLU c CB +34436 C CG . GLU U 251 ? 0.9698 0.7797 0.6841 0.0481 0.0269 0.0028 269 GLU c CG +34437 C CD . GLU U 251 ? 0.9439 0.7509 0.6559 0.0459 0.0228 0.0029 269 GLU c CD +34438 O OE1 . GLU U 251 ? 0.9408 0.7463 0.6488 0.0455 0.0233 0.0039 269 GLU c OE1 +34439 O OE2 . GLU U 251 ? 0.9600 0.7662 0.6741 0.0446 0.0189 0.0019 269 GLU c OE2 +34440 N N . ALA U 252 ? 0.8824 0.7044 0.6041 0.0520 0.0409 0.0052 270 ALA c N +34441 C CA . ALA U 252 ? 0.8711 0.7013 0.6026 0.0512 0.0433 0.0062 270 ALA c CA +34442 C C . ALA U 252 ? 0.9812 0.8135 0.7152 0.0539 0.0451 0.0050 270 ALA c C +34443 O O . ALA U 252 ? 0.9919 0.8289 0.7336 0.0535 0.0441 0.0049 270 ALA c O +34444 C CB . ALA U 252 ? 0.8736 0.7071 0.6060 0.0505 0.0474 0.0079 270 ALA c CB +34445 N N . TYR U 253 ? 0.9424 0.7710 0.6698 0.0569 0.0476 0.0040 271 TYR c N +34446 C CA . TYR U 253 ? 0.8933 0.7236 0.6226 0.0598 0.0493 0.0027 271 TYR c CA +34447 C C . TYR U 253 ? 1.0139 0.8419 0.7443 0.0599 0.0452 0.0014 271 TYR c C +34448 O O . TYR U 253 ? 0.8368 0.6690 0.5735 0.0609 0.0454 0.0010 271 TYR c O +34449 C CB . TYR U 253 ? 0.9230 0.7486 0.6437 0.0629 0.0524 0.0017 271 TYR c CB +34450 C CG . TYR U 253 ? 0.9771 0.8040 0.6956 0.0628 0.0567 0.0030 271 TYR c CG +34451 C CD1 . TYR U 253 ? 0.8939 0.7284 0.6203 0.0609 0.0592 0.0047 271 TYR c CD1 +34452 C CD2 . TYR U 253 ? 1.0028 0.8233 0.7110 0.0644 0.0582 0.0026 271 TYR c CD2 +34453 C CE1 . TYR U 253 ? 0.9856 0.8212 0.7100 0.0605 0.0632 0.0060 271 TYR c CE1 +34454 C CE2 . TYR U 253 ? 0.8773 0.6987 0.5831 0.0642 0.0624 0.0039 271 TYR c CE2 +34455 C CZ . TYR U 253 ? 1.0883 0.9174 0.8024 0.0622 0.0649 0.0056 271 TYR c CZ +34456 O OH . TYR U 253 ? 1.0433 0.8735 0.7555 0.0617 0.0691 0.0069 271 TYR c OH +34457 N N . LEU U 254 ? 0.9068 0.7282 0.6312 0.0590 0.0413 0.0006 272 LEU c N +34458 C CA . LEU U 254 ? 0.9137 0.7325 0.6390 0.0587 0.0373 -0.0006 272 LEU c CA +34459 C C . LEU U 254 ? 0.9437 0.7688 0.6789 0.0562 0.0355 0.0004 272 LEU c C +34460 O O . LEU U 254 ? 0.9369 0.7633 0.6762 0.0568 0.0344 -0.0003 272 LEU c O +34461 C CB . LEU U 254 ? 0.8504 0.6617 0.5680 0.0576 0.0335 -0.0015 272 LEU c CB +34462 C CG . LEU U 254 ? 0.9505 0.7588 0.6689 0.0564 0.0289 -0.0026 272 LEU c CG +34463 C CD1 . LEU U 254 ? 0.9055 0.7107 0.6217 0.0592 0.0292 -0.0043 272 LEU c CD1 +34464 C CD2 . LEU U 254 ? 0.9496 0.7518 0.6615 0.0547 0.0253 -0.0032 272 LEU c CD2 +34465 N N . SER U 255 ? 0.8700 0.6987 0.6090 0.0534 0.0354 0.0020 273 SER c N +34466 C CA . SER U 255 ? 0.8725 0.7067 0.6204 0.0510 0.0336 0.0030 273 SER c CA +34467 C C . SER U 255 ? 0.8789 0.7200 0.6344 0.0522 0.0364 0.0033 273 SER c C +34468 O O . SER U 255 ? 0.8651 0.7092 0.6267 0.0516 0.0345 0.0032 273 SER c O +34469 C CB . SER U 255 ? 0.8005 0.6371 0.5505 0.0480 0.0332 0.0047 273 SER c CB +34470 O OG . SER U 255 ? 0.8389 0.6808 0.5924 0.0481 0.0373 0.0060 273 SER c OG +34471 N N . TYR U 256 ? 0.8101 0.6539 0.5654 0.0541 0.0407 0.0036 274 TYR c N +34472 C CA . TYR U 256 ? 0.8786 0.7292 0.6413 0.0555 0.0433 0.0037 274 TYR c CA +34473 C C . TYR U 256 ? 1.0298 0.8785 0.7921 0.0581 0.0421 0.0021 274 TYR c C +34474 O O . TYR U 256 ? 0.9608 0.8142 0.7301 0.0582 0.0417 0.0022 274 TYR c O +34475 C CB . TYR U 256 ? 0.8128 0.6664 0.5748 0.0571 0.0484 0.0042 274 TYR c CB +34476 C CG . TYR U 256 ? 0.8840 0.7382 0.6446 0.0548 0.0500 0.0057 274 TYR c CG +34477 C CD1 . TYR U 256 ? 0.7805 0.6363 0.5447 0.0514 0.0477 0.0070 274 TYR c CD1 +34478 C CD2 . TYR U 256 ? 0.9768 0.8296 0.7322 0.0563 0.0540 0.0059 274 TYR c CD2 +34479 C CE1 . TYR U 256 ? 0.9384 0.7943 0.7010 0.0494 0.0492 0.0085 274 TYR c CE1 +34480 C CE2 . TYR U 256 ? 0.8626 0.7155 0.6163 0.0542 0.0557 0.0074 274 TYR c CE2 +34481 C CZ . TYR U 256 ? 0.9457 0.8000 0.7029 0.0508 0.0532 0.0087 274 TYR c CZ +34482 O OH . TYR U 256 ? 0.8799 0.7338 0.6351 0.0489 0.0547 0.0102 274 TYR c OH +34483 N N . SER U 257 ? 0.9224 0.7638 0.6762 0.0601 0.0415 0.0007 275 SER c N +34484 C CA . SER U 257 ? 0.8901 0.7289 0.6428 0.0627 0.0405 -0.0008 275 SER c CA +34485 C C . SER U 257 ? 0.8355 0.6722 0.5901 0.0608 0.0360 -0.0012 275 SER c C +34486 O O . SER U 257 ? 0.8593 0.6967 0.6167 0.0623 0.0352 -0.0019 275 SER c O +34487 C CB . SER U 257 ? 0.9190 0.7503 0.6618 0.0654 0.0412 -0.0023 275 SER c CB +34488 O OG . SER U 257 ? 0.9836 0.8170 0.7249 0.0678 0.0458 -0.0022 275 SER c OG +34489 N N . LEU U 258 ? 0.9362 0.7705 0.6894 0.0577 0.0330 -0.0007 276 LEU c N +34490 C CA . LEU U 258 ? 0.9193 0.7525 0.6752 0.0555 0.0290 -0.0008 276 LEU c CA +34491 C C . LEU U 258 ? 0.8381 0.6789 0.6039 0.0545 0.0291 0.0002 276 LEU c C +34492 O O . LEU U 258 ? 0.8450 0.6856 0.6135 0.0546 0.0271 -0.0003 276 LEU c O +34493 C CB . LEU U 258 ? 0.7894 0.6194 0.5425 0.0524 0.0260 -0.0005 276 LEU c CB +34494 C CG . LEU U 258 ? 0.8800 0.7018 0.6231 0.0532 0.0249 -0.0018 276 LEU c CG +34495 C CD1 . LEU U 258 ? 0.8377 0.6574 0.5786 0.0502 0.0222 -0.0013 276 LEU c CD1 +34496 C CD2 . LEU U 258 ? 0.8179 0.6340 0.5573 0.0546 0.0228 -0.0036 276 LEU c CD2 +34497 N N . GLY U 259 ? 0.7918 0.6390 0.5627 0.0534 0.0314 0.0017 277 GLY c N +34498 C CA . GLY U 259 ? 0.8373 0.6920 0.6175 0.0526 0.0319 0.0026 277 GLY c CA +34499 C C . GLY U 259 ? 1.0281 0.8853 0.8109 0.0559 0.0336 0.0018 277 GLY c C +34500 O O . GLY U 259 ? 0.9523 0.8119 0.7401 0.0558 0.0321 0.0017 277 GLY c O +34501 N N . ALA U 260 ? 0.8574 0.7136 0.6363 0.0589 0.0368 0.0011 278 ALA c N +34502 C CA . ALA U 260 ? 0.8569 0.7154 0.6379 0.0624 0.0385 0.0002 278 ALA c CA +34503 C C . ALA U 260 ? 0.8750 0.7279 0.6530 0.0637 0.0355 -0.0010 278 ALA c C +34504 O O . ALA U 260 ? 0.8381 0.6939 0.6208 0.0650 0.0350 -0.0013 278 ALA c O +34505 C CB . ALA U 260 ? 0.9451 0.8027 0.7214 0.0654 0.0424 -0.0004 278 ALA c CB +34506 N N . LEU U 261 ? 0.7958 0.6406 0.5660 0.0633 0.0334 -0.0019 279 LEU c N +34507 C CA . LEU U 261 ? 0.7763 0.6150 0.5430 0.0644 0.0307 -0.0032 279 LEU c CA +34508 C C . LEU U 261 ? 0.8985 0.7388 0.6706 0.0618 0.0275 -0.0026 279 LEU c C +34509 O O . LEU U 261 ? 0.9124 0.7514 0.6855 0.0631 0.0262 -0.0033 279 LEU c O +34510 C CB . LEU U 261 ? 0.8359 0.6658 0.5931 0.0644 0.0292 -0.0043 279 LEU c CB +34511 C CG . LEU U 261 ? 1.0425 0.8671 0.7931 0.0685 0.0308 -0.0060 279 LEU c CG +34512 C CD1 . LEU U 261 ? 0.9552 0.7844 0.7068 0.0713 0.0352 -0.0058 279 LEU c CD1 +34513 C CD2 . LEU U 261 ? 0.8722 0.6880 0.6133 0.0681 0.0291 -0.0072 279 LEU c CD2 +34514 N N . SER U 262 ? 0.8957 0.7385 0.6709 0.0581 0.0261 -0.0014 280 SER c N +34515 C CA . SER U 262 ? 0.8751 0.7201 0.6560 0.0555 0.0233 -0.0008 280 SER c CA +34516 C C . SER U 262 ? 0.9173 0.7686 0.7054 0.0570 0.0244 -0.0004 280 SER c C +34517 O O . SER U 262 ? 0.8199 0.6698 0.6092 0.0575 0.0226 -0.0008 280 SER c O +34518 C CB . SER U 262 ? 0.8729 0.7209 0.6567 0.0518 0.0225 0.0006 280 SER c CB +34519 O OG . SER U 262 ? 0.8847 0.7339 0.6730 0.0492 0.0196 0.0010 280 SER c OG +34520 N N . MET U 263 ? 0.8067 0.6650 0.5997 0.0576 0.0274 0.0005 281 MET c N +34521 C CA . MET U 263 ? 0.8160 0.6810 0.6162 0.0591 0.0286 0.0008 281 MET c CA +34522 C C . MET U 263 ? 0.9607 0.8229 0.7585 0.0630 0.0287 -0.0005 281 MET c C +34523 O O . MET U 263 ? 0.8351 0.6991 0.6369 0.0636 0.0273 -0.0006 281 MET c O +34524 C CB . MET U 263 ? 0.8318 0.7040 0.6362 0.0594 0.0322 0.0016 281 MET c CB +34525 C CG . MET U 263 ? 1.0532 0.9323 0.8642 0.0619 0.0341 0.0015 281 MET c CG +34526 S SD . MET U 263 ? 1.1536 1.0413 0.9700 0.0614 0.0383 0.0024 281 MET c SD +34527 C CE . MET U 263 ? 1.3023 1.1896 1.1192 0.0564 0.0368 0.0039 281 MET c CE +34528 N N . MET U 264 ? 0.8228 0.6800 0.6138 0.0656 0.0301 -0.0017 282 MET c N +34529 C CA . MET U 264 ? 0.8573 0.7116 0.6458 0.0696 0.0303 -0.0029 282 MET c CA +34530 C C . MET U 264 ? 0.8986 0.7464 0.6841 0.0688 0.0267 -0.0035 282 MET c C +34531 O O . MET U 264 ? 0.8119 0.6593 0.5986 0.0711 0.0260 -0.0040 282 MET c O +34532 C CB . MET U 264 ? 0.8021 0.6522 0.5835 0.0725 0.0327 -0.0041 282 MET c CB +34533 C CG . MET U 264 ? 0.9475 0.8043 0.7320 0.0742 0.0369 -0.0037 282 MET c CG +34534 S SD . MET U 264 ? 0.9637 0.8144 0.7388 0.0777 0.0396 -0.0051 282 MET c SD +34535 C CE . MET U 264 ? 0.9693 0.8222 0.7435 0.0749 0.0418 -0.0040 282 MET c CE +34536 N N . GLY U 265 ? 0.8049 0.6473 0.5862 0.0658 0.0243 -0.0035 283 GLY c N +34537 C CA . GLY U 265 ? 0.7902 0.6265 0.5690 0.0646 0.0210 -0.0041 283 GLY c CA +34538 C C . GLY U 265 ? 0.8775 0.7182 0.6633 0.0633 0.0194 -0.0032 283 GLY c C +34539 O O . GLY U 265 ? 0.8558 0.6932 0.6407 0.0644 0.0179 -0.0037 283 GLY c O +34540 N N . PHE U 266 ? 0.8117 0.6596 0.6043 0.0608 0.0197 -0.0018 284 PHE c N +34541 C CA . PHE U 266 ? 0.8007 0.6533 0.6002 0.0595 0.0184 -0.0009 284 PHE c CA +34542 C C . PHE U 266 ? 0.8210 0.6770 0.6238 0.0632 0.0197 -0.0012 284 PHE c C +34543 O O . PHE U 266 ? 0.8976 0.7534 0.7026 0.0635 0.0179 -0.0012 284 PHE c O +34544 C CB . PHE U 266 ? 0.7887 0.6485 0.5947 0.0565 0.0189 0.0005 284 PHE c CB +34545 C CG . PHE U 266 ? 0.8389 0.6961 0.6431 0.0526 0.0171 0.0010 284 PHE c CG +34546 C CD1 . PHE U 266 ? 0.8365 0.6886 0.6385 0.0506 0.0140 0.0007 284 PHE c CD1 +34547 C CD2 . PHE U 266 ? 0.8272 0.6869 0.6316 0.0510 0.0185 0.0017 284 PHE c CD2 +34548 C CE1 . PHE U 266 ? 0.7746 0.6246 0.5752 0.0471 0.0122 0.0010 284 PHE c CE1 +34549 C CE2 . PHE U 266 ? 0.8644 0.7216 0.6670 0.0477 0.0166 0.0020 284 PHE c CE2 +34550 C CZ . PHE U 266 ? 0.7754 0.6280 0.5763 0.0458 0.0134 0.0017 284 PHE c CZ +34551 N N . ILE U 267 ? 0.8513 0.7110 0.6548 0.0661 0.0227 -0.0015 285 ILE c N +34552 C CA . ILE U 267 ? 0.8609 0.7244 0.6676 0.0699 0.0241 -0.0019 285 ILE c CA +34553 C C . ILE U 267 ? 0.8297 0.6856 0.6304 0.0729 0.0228 -0.0032 285 ILE c C +34554 O O . ILE U 267 ? 0.8507 0.7073 0.6536 0.0749 0.0219 -0.0033 285 ILE c O +34555 C CB . ILE U 267 ? 0.8949 0.7636 0.7032 0.0722 0.0278 -0.0021 285 ILE c CB +34556 C CG1 . ILE U 267 ? 0.8265 0.7034 0.6417 0.0693 0.0291 -0.0007 285 ILE c CG1 +34557 C CG2 . ILE U 267 ? 0.8066 0.6781 0.6168 0.0770 0.0293 -0.0029 285 ILE c CG2 +34558 C CD1 . ILE U 267 ? 0.8507 0.7322 0.6669 0.0708 0.0329 -0.0008 285 ILE c CD1 +34559 N N . ALA U 268 ? 0.8138 0.6618 0.6064 0.0731 0.0226 -0.0041 286 ALA c N +34560 C CA . ALA U 268 ? 0.7809 0.6209 0.5673 0.0757 0.0214 -0.0053 286 ALA c CA +34561 C C . ALA U 268 ? 0.8723 0.7086 0.6588 0.0735 0.0181 -0.0050 286 ALA c C +34562 O O . ALA U 268 ? 0.8704 0.7029 0.6549 0.0759 0.0172 -0.0056 286 ALA c O +34563 C CB . ALA U 268 ? 0.7887 0.6210 0.5663 0.0761 0.0218 -0.0064 286 ALA c CB +34564 N N A THR U 269 ? 0.8019 0.6391 0.5905 0.0690 0.0164 -0.0041 287 THR c N +34565 N N B THR U 269 ? 0.8017 0.6388 0.5903 0.0690 0.0164 -0.0041 287 THR c N +34566 C CA A THR U 269 ? 0.8654 0.6996 0.6546 0.0667 0.0135 -0.0038 287 THR c CA +34567 C CA B THR U 269 ? 0.8671 0.7012 0.6563 0.0667 0.0135 -0.0038 287 THR c CA +34568 C C A THR U 269 ? 0.7801 0.6192 0.5752 0.0683 0.0133 -0.0032 287 THR c C +34569 C C B THR U 269 ? 0.7794 0.6183 0.5744 0.0683 0.0133 -0.0032 287 THR c C +34570 O O A THR U 269 ? 0.8077 0.6423 0.6009 0.0691 0.0116 -0.0035 287 THR c O +34571 O O B THR U 269 ? 0.8082 0.6425 0.6010 0.0694 0.0117 -0.0035 287 THR c O +34572 C CB A THR U 269 ? 0.8749 0.7108 0.6666 0.0618 0.0121 -0.0029 287 THR c CB +34573 C CB B THR U 269 ? 0.8768 0.7127 0.6685 0.0618 0.0121 -0.0029 287 THR c CB +34574 O OG1 A THR U 269 ? 0.8699 0.6997 0.6551 0.0603 0.0116 -0.0036 287 THR c OG1 +34575 O OG1 B THR U 269 ? 0.8711 0.7013 0.6565 0.0604 0.0117 -0.0036 287 THR c OG1 +34576 C CG2 A THR U 269 ? 0.7841 0.6188 0.5780 0.0593 0.0094 -0.0023 287 THR c CG2 +34577 C CG2 B THR U 269 ? 0.7841 0.6180 0.5774 0.0593 0.0093 -0.0024 287 THR c CG2 +34578 N N A CYS U 270 ? 0.7919 0.6400 0.5940 0.0688 0.0149 -0.0024 288 CYS c N +34579 N N B CYS U 270 ? 0.7911 0.6392 0.5933 0.0687 0.0148 -0.0024 288 CYS c N +34580 C CA A CYS U 270 ? 0.8298 0.6830 0.6377 0.0704 0.0146 -0.0019 288 CYS c CA +34581 C CA B CYS U 270 ? 0.8295 0.6827 0.6374 0.0703 0.0146 -0.0019 288 CYS c CA +34582 C C A CYS U 270 ? 0.8465 0.6984 0.6524 0.0756 0.0157 -0.0029 288 CYS c C +34583 C C B CYS U 270 ? 0.8471 0.6988 0.6529 0.0755 0.0156 -0.0029 288 CYS c C +34584 O O A CYS U 270 ? 0.8810 0.7331 0.6885 0.0773 0.0145 -0.0029 288 CYS c O +34585 O O B CYS U 270 ? 0.8834 0.7352 0.6907 0.0773 0.0145 -0.0029 288 CYS c O +34586 C CB A CYS U 270 ? 0.8568 0.7202 0.6731 0.0690 0.0159 -0.0009 288 CYS c CB +34587 C CB B CYS U 270 ? 0.8570 0.7205 0.6733 0.0690 0.0159 -0.0009 288 CYS c CB +34588 S SG A CYS U 270 ? 0.8381 0.7031 0.6573 0.0631 0.0144 0.0004 288 CYS c SG +34589 S SG B CYS U 270 ? 0.8390 0.7044 0.6585 0.0631 0.0144 0.0004 288 CYS c SG +34590 N N . PHE U 271 ? 0.7957 0.6459 0.5976 0.0781 0.0178 -0.0039 289 PHE c N +34591 C CA . PHE U 271 ? 0.8186 0.6673 0.6181 0.0834 0.0190 -0.0049 289 PHE c CA +34592 C C . PHE U 271 ? 0.8586 0.6979 0.6517 0.0846 0.0168 -0.0056 289 PHE c C +34593 O O . PHE U 271 ? 0.8815 0.7208 0.6757 0.0875 0.0161 -0.0058 289 PHE c O +34594 C CB . PHE U 271 ? 0.8593 0.7073 0.6550 0.0856 0.0218 -0.0058 289 PHE c CB +34595 C CG . PHE U 271 ? 0.7646 0.6209 0.5656 0.0891 0.0246 -0.0060 289 PHE c CG +34596 C CD1 . PHE U 271 ? 0.7949 0.6518 0.5964 0.0938 0.0249 -0.0068 289 PHE c CD1 +34597 C CD2 . PHE U 271 ? 0.8468 0.7105 0.6524 0.0876 0.0270 -0.0054 289 PHE c CD2 +34598 C CE1 . PHE U 271 ? 0.8065 0.6718 0.6135 0.0970 0.0275 -0.0070 289 PHE c CE1 +34599 C CE2 . PHE U 271 ? 0.8329 0.7046 0.6438 0.0905 0.0297 -0.0057 289 PHE c CE2 +34600 C CZ . PHE U 271 ? 0.8598 0.7326 0.6716 0.0952 0.0299 -0.0065 289 PHE c CZ +34601 N N A VAL U 272 ? 0.7569 0.5878 0.5432 0.0823 0.0155 -0.0060 290 VAL c N +34602 N N B VAL U 272 ? 0.7547 0.5857 0.5411 0.0823 0.0156 -0.0060 290 VAL c N +34603 C CA A VAL U 272 ? 0.8449 0.6664 0.6248 0.0832 0.0136 -0.0067 290 VAL c CA +34604 C CA B VAL U 272 ? 0.8448 0.6661 0.6245 0.0831 0.0136 -0.0068 290 VAL c CA +34605 C C A VAL U 272 ? 0.9026 0.7242 0.6857 0.0811 0.0111 -0.0058 290 VAL c C +34606 C C B VAL U 272 ? 0.9050 0.7264 0.6879 0.0811 0.0111 -0.0058 290 VAL c C +34607 O O A VAL U 272 ? 0.8433 0.6587 0.6226 0.0827 0.0098 -0.0062 290 VAL c O +34608 O O B VAL U 272 ? 0.8445 0.6597 0.6236 0.0828 0.0098 -0.0062 290 VAL c O +34609 C CB A VAL U 272 ? 0.8185 0.6312 0.5905 0.0811 0.0129 -0.0076 290 VAL c CB +34610 C CB B VAL U 272 ? 0.8178 0.6306 0.5899 0.0808 0.0129 -0.0076 290 VAL c CB +34611 C CG1 A VAL U 272 ? 0.7747 0.5881 0.5485 0.0756 0.0113 -0.0068 290 VAL c CG1 +34612 C CG1 B VAL U 272 ? 0.7737 0.5878 0.5481 0.0753 0.0113 -0.0067 290 VAL c CG1 +34613 C CG2 A VAL U 272 ? 0.7765 0.5789 0.5410 0.0829 0.0115 -0.0086 290 VAL c CG2 +34614 C CG2 B VAL U 272 ? 0.7746 0.5770 0.5392 0.0823 0.0114 -0.0086 290 VAL c CG2 +34615 N N A TRP U 273 ? 0.8612 0.6896 0.6510 0.0775 0.0106 -0.0046 291 TRP c N +34616 N N B TRP U 273 ? 0.8624 0.6905 0.6520 0.0775 0.0106 -0.0046 291 TRP c N +34617 C CA A TRP U 273 ? 0.8819 0.7100 0.6743 0.0753 0.0083 -0.0037 291 TRP c CA +34618 C CA B TRP U 273 ? 0.8831 0.7110 0.6753 0.0753 0.0083 -0.0037 291 TRP c CA +34619 C C A TRP U 273 ? 0.8741 0.7076 0.6715 0.0785 0.0084 -0.0033 291 TRP c C +34620 C C B TRP U 273 ? 0.8761 0.7093 0.6733 0.0785 0.0084 -0.0033 291 TRP c C +34621 O O A TRP U 273 ? 0.8563 0.6860 0.6524 0.0790 0.0067 -0.0031 291 TRP c O +34622 O O B TRP U 273 ? 0.8578 0.6873 0.6537 0.0789 0.0066 -0.0031 291 TRP c O +34623 C CB A TRP U 273 ? 0.8304 0.6629 0.6274 0.0702 0.0076 -0.0026 291 TRP c CB +34624 C CB B TRP U 273 ? 0.8315 0.6637 0.6283 0.0702 0.0076 -0.0026 291 TRP c CB +34625 C CG A TRP U 273 ? 0.8152 0.6456 0.6133 0.0674 0.0052 -0.0019 291 TRP c CG +34626 C CG B TRP U 273 ? 0.8147 0.6448 0.6126 0.0674 0.0052 -0.0019 291 TRP c CG +34627 C CD1 A TRP U 273 ? 0.8406 0.6773 0.6454 0.0660 0.0044 -0.0008 291 TRP c CD1 +34628 C CD1 B TRP U 273 ? 0.8429 0.6793 0.6475 0.0661 0.0044 -0.0008 291 TRP c CD1 +34629 C CD2 A TRP U 273 ? 0.7900 0.6112 0.5821 0.0656 0.0033 -0.0023 291 TRP c CD2 +34630 C CD2 B TRP U 273 ? 0.7896 0.6106 0.5815 0.0656 0.0033 -0.0023 291 TRP c CD2 +34631 N NE1 A TRP U 273 ? 0.7806 0.6125 0.5839 0.0635 0.0023 -0.0004 291 TRP c NE1 +34632 N NE1 B TRP U 273 ? 0.7814 0.6130 0.5844 0.0636 0.0022 -0.0004 291 TRP c NE1 +34633 C CE2 A TRP U 273 ? 0.8010 0.6235 0.5966 0.0632 0.0016 -0.0013 291 TRP c CE2 +34634 C CE2 B TRP U 273 ? 0.8022 0.6245 0.5976 0.0632 0.0016 -0.0014 291 TRP c CE2 +34635 C CE3 A TRP U 273 ? 0.7542 0.5662 0.5383 0.0658 0.0029 -0.0035 291 TRP c CE3 +34636 C CE3 B TRP U 273 ? 0.7525 0.5642 0.5363 0.0657 0.0029 -0.0035 291 TRP c CE3 +34637 C CZ2 A TRP U 273 ? 0.7888 0.6039 0.5804 0.0609 -0.0003 -0.0014 291 TRP c CZ2 +34638 C CZ2 B TRP U 273 ? 0.7899 0.6048 0.5812 0.0609 -0.0003 -0.0014 291 TRP c CZ2 +34639 C CZ3 A TRP U 273 ? 0.7252 0.5298 0.5053 0.0634 0.0009 -0.0036 291 TRP c CZ3 +34640 C CZ3 B TRP U 273 ? 0.7230 0.5274 0.5030 0.0633 0.0009 -0.0036 291 TRP c CZ3 +34641 C CH2 A TRP U 273 ? 0.8090 0.6152 0.5929 0.0609 -0.0006 -0.0026 291 TRP c CH2 +34642 C CH2 B TRP U 273 ? 0.8090 0.6150 0.5927 0.0609 -0.0006 -0.0026 291 TRP c CH2 +34643 N N A PHE U 274 ? 0.7865 0.6285 0.5894 0.0806 0.0104 -0.0032 292 PHE c N +34644 N N B PHE U 274 ? 0.7861 0.6278 0.5888 0.0807 0.0104 -0.0033 292 PHE c N +34645 C CA A PHE U 274 ? 0.7943 0.6427 0.6030 0.0834 0.0104 -0.0029 292 PHE c CA +34646 C CA B PHE U 274 ? 0.7936 0.6417 0.6021 0.0834 0.0103 -0.0029 292 PHE c CA +34647 C C A PHE U 274 ? 0.8560 0.7040 0.6628 0.0892 0.0117 -0.0040 292 PHE c C +34648 C C B PHE U 274 ? 0.8573 0.7053 0.6642 0.0892 0.0117 -0.0040 292 PHE c C +34649 O O A PHE U 274 ? 0.8463 0.6952 0.6546 0.0921 0.0108 -0.0040 292 PHE c O +34650 O O B PHE U 274 ? 0.8473 0.6961 0.6556 0.0920 0.0107 -0.0040 292 PHE c O +34651 C CB A PHE U 274 ? 0.7589 0.6184 0.5765 0.0817 0.0115 -0.0020 292 PHE c CB +34652 C CB B PHE U 274 ? 0.7581 0.6173 0.5755 0.0816 0.0115 -0.0020 292 PHE c CB +34653 C CG A PHE U 274 ? 0.8256 0.6867 0.6465 0.0766 0.0100 -0.0009 292 PHE c CG +34654 C CG B PHE U 274 ? 0.8272 0.6881 0.6480 0.0766 0.0099 -0.0009 292 PHE c CG +34655 C CD1 A PHE U 274 ? 0.7900 0.6517 0.6135 0.0758 0.0078 -0.0002 292 PHE c CD1 +34656 C CD1 B PHE U 274 ? 0.7899 0.6515 0.6134 0.0759 0.0078 -0.0002 292 PHE c CD1 +34657 C CD2 A PHE U 274 ? 0.7635 0.6252 0.5844 0.0728 0.0105 -0.0005 292 PHE c CD2 +34658 C CD2 B PHE U 274 ? 0.7624 0.6238 0.5831 0.0726 0.0104 -0.0005 292 PHE c CD2 +34659 C CE1 A PHE U 274 ? 0.7439 0.6071 0.5704 0.0712 0.0065 0.0008 292 PHE c CE1 +34660 C CE1 B PHE U 274 ? 0.7423 0.6054 0.5688 0.0713 0.0064 0.0008 292 PHE c CE1 +34661 C CE2 A PHE U 274 ? 0.8041 0.6674 0.6281 0.0682 0.0091 0.0005 292 PHE c CE2 +34662 C CE2 B PHE U 274 ? 0.8038 0.6667 0.6276 0.0682 0.0089 0.0006 292 PHE c CE2 +34663 C CZ A PHE U 274 ? 0.8133 0.6774 0.6402 0.0674 0.0071 0.0012 292 PHE c CZ +34664 C CZ B PHE U 274 ? 0.8154 0.6794 0.6422 0.0675 0.0070 0.0012 292 PHE c CZ +34665 N N A ASN U 275 ? 0.8263 0.6733 0.6299 0.0911 0.0139 -0.0049 293 ASN c N +34666 N N B ASN U 275 ? 0.8267 0.6738 0.6305 0.0911 0.0139 -0.0049 293 ASN c N +34667 C CA A ASN U 275 ? 0.8506 0.6993 0.6539 0.0966 0.0156 -0.0059 293 ASN c CA +34668 C CA B ASN U 275 ? 0.8512 0.7001 0.6547 0.0967 0.0156 -0.0059 293 ASN c CA +34669 C C A ASN U 275 ? 0.8898 0.7281 0.6847 0.0999 0.0146 -0.0069 293 ASN c C +34670 C C B ASN U 275 ? 0.8917 0.7302 0.6867 0.0999 0.0146 -0.0069 293 ASN c C +34671 O O A ASN U 275 ? 0.8064 0.6358 0.5940 0.0982 0.0139 -0.0073 293 ASN c O +34672 O O B ASN U 275 ? 0.8059 0.6357 0.5937 0.0982 0.0141 -0.0073 293 ASN c O +34673 C CB A ASN U 275 ? 0.8389 0.6911 0.6424 0.0974 0.0187 -0.0064 293 ASN c CB +34674 C CB B ASN U 275 ? 0.8377 0.6906 0.6418 0.0974 0.0186 -0.0064 293 ASN c CB +34675 C CG A ASN U 275 ? 0.9223 0.7780 0.7268 0.1030 0.0207 -0.0075 293 ASN c CG +34676 C CG B ASN U 275 ? 0.9248 0.7809 0.7296 0.1031 0.0207 -0.0074 293 ASN c CG +34677 O OD1 A ASN U 275 ? 0.8715 0.7203 0.6695 0.1067 0.0208 -0.0086 293 ASN c OD1 +34678 O OD1 B ASN U 275 ? 0.8709 0.7200 0.6693 0.1067 0.0207 -0.0085 293 ASN c OD1 +34679 N ND2 A ASN U 275 ? 0.7768 0.6433 0.5895 0.1038 0.0224 -0.0072 293 ASN c ND2 +34680 N ND2 B ASN U 275 ? 0.7753 0.6421 0.5883 0.1039 0.0225 -0.0072 293 ASN c ND2 +34681 N N . ASN U 276 ? 0.7536 0.5928 0.5494 0.1044 0.0142 -0.0072 294 ASN c N +34682 C CA . ASN U 276 ? 0.8043 0.6337 0.5921 0.1080 0.0134 -0.0082 294 ASN c CA +34683 C C . ASN U 276 ? 0.9044 0.7355 0.6913 0.1141 0.0154 -0.0094 294 ASN c C +34684 O O . ASN U 276 ? 0.9140 0.7385 0.6955 0.1181 0.0148 -0.0102 294 ASN c O +34685 C CB . ASN U 276 ? 0.7989 0.6251 0.5864 0.1084 0.0107 -0.0075 294 ASN c CB +34686 C CG . ASN U 276 ? 0.8408 0.6767 0.6364 0.1107 0.0105 -0.0071 294 ASN c CG +34687 O OD1 . ASN U 276 ? 0.8749 0.7201 0.6768 0.1121 0.0124 -0.0073 294 ASN c OD1 +34688 N ND2 . ASN U 276 ? 0.8589 0.6923 0.6544 0.1109 0.0081 -0.0065 294 ASN c ND2 +34689 N N . THR U 277 ? 0.9286 0.7685 0.7208 0.1148 0.0180 -0.0096 295 THR c N +34690 C CA . THR U 277 ? 0.8371 0.6789 0.6286 0.1204 0.0204 -0.0109 295 THR c CA +34691 C C . THR U 277 ? 0.8879 0.7230 0.6719 0.1205 0.0221 -0.0119 295 THR c C +34692 O O . THR U 277 ? 0.9168 0.7436 0.6932 0.1240 0.0220 -0.0130 295 THR c O +34693 C CB . THR U 277 ? 0.8638 0.7189 0.6652 0.1213 0.0224 -0.0107 295 THR c CB +34694 O OG1 . THR U 277 ? 0.8875 0.7484 0.6954 0.1215 0.0206 -0.0100 295 THR c OG1 +34695 C CG2 . THR U 277 ? 0.9588 0.8163 0.7596 0.1270 0.0251 -0.0121 295 THR c CG2 +34696 N N . VAL U 278 ? 0.8419 0.6801 0.6274 0.1167 0.0235 -0.0115 296 VAL c N +34697 C CA . VAL U 278 ? 0.8466 0.6781 0.6246 0.1165 0.0250 -0.0124 296 VAL c CA +34698 C C . VAL U 278 ? 0.9022 0.7231 0.6728 0.1128 0.0226 -0.0122 296 VAL c C +34699 O O . VAL U 278 ? 0.9441 0.7582 0.7076 0.1127 0.0233 -0.0131 296 VAL c O +34700 C CB . VAL U 278 ? 0.9271 0.7659 0.7090 0.1145 0.0277 -0.0121 296 VAL c CB +34701 C CG1 . VAL U 278 ? 0.7670 0.6162 0.5560 0.1183 0.0303 -0.0124 296 VAL c CG1 +34702 C CG2 . VAL U 278 ? 0.7886 0.6312 0.5752 0.1084 0.0265 -0.0106 296 VAL c CG2 +34703 N N . TYR U 279 ? 0.9023 0.7214 0.6742 0.1099 0.0198 -0.0113 297 TYR c N +34704 C CA . TYR U 279 ? 0.8778 0.6860 0.6424 0.1072 0.0174 -0.0114 297 TYR c CA +34705 C C . TYR U 279 ? 0.9670 0.7710 0.7302 0.1096 0.0154 -0.0113 297 TYR c C +34706 O O . TYR U 279 ? 0.9211 0.7272 0.6883 0.1071 0.0135 -0.0102 297 TYR c O +34707 C CB . TYR U 279 ? 0.8186 0.6281 0.5857 0.1009 0.0161 -0.0103 297 TYR c CB +34708 C CG . TYR U 279 ? 0.8432 0.6556 0.6107 0.0985 0.0178 -0.0103 297 TYR c CG +34709 C CD1 . TYR U 279 ? 0.8354 0.6396 0.5950 0.0972 0.0177 -0.0112 297 TYR c CD1 +34710 C CD2 . TYR U 279 ? 0.8203 0.6433 0.5958 0.0973 0.0194 -0.0095 297 TYR c CD2 +34711 C CE1 . TYR U 279 ? 0.8637 0.6702 0.6232 0.0951 0.0192 -0.0112 297 TYR c CE1 +34712 C CE2 . TYR U 279 ? 0.9420 0.7673 0.7173 0.0951 0.0211 -0.0094 297 TYR c CE2 +34713 C CZ . TYR U 279 ? 1.0032 0.8202 0.7705 0.0941 0.0210 -0.0102 297 TYR c CZ +34714 O OH . TYR U 279 ? 0.9206 0.7398 0.6875 0.0920 0.0225 -0.0101 297 TYR c OH +34715 N N . PRO U 280 ? 1.1206 0.9186 0.8781 0.1145 0.0158 -0.0125 298 PRO c N +34716 C CA . PRO U 280 ? 0.8871 0.6816 0.6434 0.1174 0.0140 -0.0124 298 PRO c CA +34717 C C . PRO U 280 ? 0.8723 0.6584 0.6244 0.1136 0.0113 -0.0118 298 PRO c C +34718 O O . PRO U 280 ? 0.9376 0.7157 0.6834 0.1107 0.0108 -0.0122 298 PRO c O +34719 C CB . PRO U 280 ? 1.0892 0.8776 0.8387 0.1233 0.0152 -0.0139 298 PRO c CB +34720 C CG . PRO U 280 ? 0.9269 0.7216 0.6787 0.1245 0.0182 -0.0146 298 PRO c CG +34721 C CD . PRO U 280 ? 0.8888 0.6846 0.6417 0.1184 0.0181 -0.0139 298 PRO c CD +34722 N N . SER U 281 ? 0.8503 0.6384 0.6060 0.1134 0.0096 -0.0108 299 SER c N +34723 C CA . SER U 281 ? 0.8516 0.6321 0.6036 0.1097 0.0072 -0.0101 299 SER c CA +34724 C C . SER U 281 ? 0.9001 0.6676 0.6419 0.1118 0.0065 -0.0111 299 SER c C +34725 O O . SER U 281 ? 0.9275 0.6869 0.6643 0.1081 0.0050 -0.0111 299 SER c O +34726 C CB . SER U 281 ? 0.8617 0.6472 0.6196 0.1094 0.0056 -0.0089 299 SER c CB +34727 O OG . SER U 281 ? 0.9014 0.6988 0.6686 0.1073 0.0064 -0.0081 299 SER c OG +34728 N N . GLU U 282 ? 0.9333 0.6988 0.6719 0.1178 0.0075 -0.0122 300 GLU c N +34729 C CA . GLU U 282 ? 1.0291 0.7819 0.7573 0.1202 0.0071 -0.0133 300 GLU c CA +34730 C C . GLU U 282 ? 0.9551 0.7013 0.6775 0.1167 0.0075 -0.0142 300 GLU c C +34731 O O . GLU U 282 ? 0.9398 0.6748 0.6543 0.1154 0.0063 -0.0147 300 GLU c O +34732 C CB . GLU U 282 ? 1.0291 0.7821 0.7554 0.1272 0.0087 -0.0145 300 GLU c CB +34733 C CG . GLU U 282 ? 1.0228 0.7816 0.7540 0.1316 0.0083 -0.0140 300 GLU c CG +34734 C CD . GLU U 282 ? 1.0560 0.8291 0.7974 0.1324 0.0098 -0.0136 300 GLU c CD +34735 O OE1 . GLU U 282 ? 1.0315 0.8110 0.7785 0.1275 0.0100 -0.0128 300 GLU c OE1 +34736 O OE2 . GLU U 282 ? 1.0620 0.8400 0.8060 0.1379 0.0109 -0.0142 300 GLU c OE2 +34737 N N . PHE U 283 ? 0.8400 0.5928 0.5659 0.1152 0.0092 -0.0144 301 PHE c N +34738 C CA . PHE U 283 ? 0.8856 0.6325 0.6059 0.1124 0.0095 -0.0153 301 PHE c CA +34739 C C . PHE U 283 ? 1.0539 0.8024 0.7770 0.1056 0.0082 -0.0144 301 PHE c C +34740 O O . PHE U 283 ? 0.9919 0.7320 0.7090 0.1023 0.0070 -0.0149 301 PHE c O +34741 C CB . PHE U 283 ? 0.8851 0.6369 0.6062 0.1150 0.0122 -0.0162 301 PHE c CB +34742 C CG . PHE U 283 ? 0.9364 0.6880 0.6555 0.1219 0.0137 -0.0171 301 PHE c CG +34743 C CD1 . PHE U 283 ? 0.9425 0.6841 0.6542 0.1253 0.0128 -0.0179 301 PHE c CD1 +34744 C CD2 . PHE U 283 ? 1.1200 0.8816 0.8450 0.1250 0.0162 -0.0172 301 PHE c CD2 +34745 C CE1 . PHE U 283 ? 1.1096 0.8511 0.8196 0.1319 0.0142 -0.0188 301 PHE c CE1 +34746 C CE2 . PHE U 283 ? 0.9800 0.7419 0.7036 0.1314 0.0177 -0.0182 301 PHE c CE2 +34747 C CZ . PHE U 283 ? 0.9658 0.7178 0.6820 0.1350 0.0166 -0.0190 301 PHE c CZ +34748 N N . TYR U 284 ? 0.9129 0.6719 0.6449 0.1034 0.0083 -0.0131 302 TYR c N +34749 C CA . TYR U 284 ? 0.9398 0.7013 0.6751 0.0972 0.0073 -0.0123 302 TYR c CA +34750 C C . TYR U 284 ? 0.9976 0.7584 0.7353 0.0939 0.0050 -0.0111 302 TYR c C +34751 O O . TYR U 284 ? 0.9395 0.7014 0.6794 0.0887 0.0040 -0.0104 302 TYR c O +34752 C CB . TYR U 284 ? 0.8500 0.6233 0.5934 0.0962 0.0088 -0.0116 302 TYR c CB +34753 C CG . TYR U 284 ? 0.9087 0.6830 0.6499 0.0980 0.0111 -0.0126 302 TYR c CG +34754 C CD1 . TYR U 284 ? 0.9830 0.7542 0.7208 0.0946 0.0110 -0.0130 302 TYR c CD1 +34755 C CD2 . TYR U 284 ? 1.0002 0.7789 0.7429 0.1033 0.0133 -0.0131 302 TYR c CD2 +34756 C CE1 . TYR U 284 ? 0.8512 0.6233 0.5866 0.0962 0.0132 -0.0139 302 TYR c CE1 +34757 C CE2 . TYR U 284 ? 1.0144 0.7942 0.7550 0.1049 0.0156 -0.0140 302 TYR c CE2 +34758 C CZ . TYR U 284 ? 0.9975 0.7738 0.7343 0.1014 0.0155 -0.0144 302 TYR c CZ +34759 O OH . TYR U 284 ? 0.9592 0.7362 0.6935 0.1031 0.0178 -0.0152 302 TYR c OH +34760 N N A GLY U 285 ? 0.8779 0.6365 0.6150 0.0969 0.0043 -0.0107 303 GLY c N +34761 N N B GLY U 285 ? 0.8779 0.6366 0.6151 0.0969 0.0043 -0.0107 303 GLY c N +34762 C CA A GLY U 285 ? 0.8393 0.5979 0.5791 0.0942 0.0024 -0.0095 303 GLY c CA +34763 C CA B GLY U 285 ? 0.8383 0.5972 0.5783 0.0942 0.0024 -0.0095 303 GLY c CA +34764 C C A GLY U 285 ? 0.8222 0.5927 0.5717 0.0946 0.0027 -0.0083 303 GLY c C +34765 C C B GLY U 285 ? 0.8211 0.5917 0.5706 0.0948 0.0027 -0.0083 303 GLY c C +34766 O O A GLY U 285 ? 0.8558 0.6348 0.6104 0.0961 0.0043 -0.0083 303 GLY c O +34767 O O B GLY U 285 ? 0.8562 0.6354 0.6109 0.0962 0.0044 -0.0083 303 GLY c O +34768 N N A PRO U 286 ? 0.8813 0.6524 0.6333 0.0934 0.0011 -0.0072 304 PRO c N +34769 N N B PRO U 286 ? 0.8819 0.6530 0.6339 0.0935 0.0011 -0.0072 304 PRO c N +34770 C CA A PRO U 286 ? 0.8784 0.6606 0.6395 0.0936 0.0012 -0.0061 304 PRO c CA +34771 C CA B PRO U 286 ? 0.8784 0.6606 0.6396 0.0936 0.0012 -0.0061 304 PRO c CA +34772 C C A PRO U 286 ? 0.8690 0.6585 0.6362 0.0886 0.0015 -0.0054 304 PRO c C +34773 C C B PRO U 286 ? 0.8706 0.6599 0.6376 0.0886 0.0014 -0.0054 304 PRO c C +34774 O O A PRO U 286 ? 0.8097 0.5950 0.5743 0.0843 0.0009 -0.0054 304 PRO c O +34775 O O B PRO U 286 ? 0.8089 0.5940 0.5734 0.0842 0.0008 -0.0054 304 PRO c O +34776 C CB A PRO U 286 ? 0.9263 0.7051 0.6868 0.0932 -0.0008 -0.0052 304 PRO c CB +34777 C CB B PRO U 286 ? 0.9282 0.7068 0.6886 0.0932 -0.0008 -0.0052 304 PRO c CB +34778 C CG A PRO U 286 ? 0.8157 0.5837 0.5691 0.0896 -0.0019 -0.0054 304 PRO c CG +34779 C CG B PRO U 286 ? 0.8142 0.5820 0.5674 0.0897 -0.0019 -0.0054 304 PRO c CG +34780 C CD A PRO U 286 ? 0.8974 0.6592 0.6442 0.0912 -0.0007 -0.0069 304 PRO c CD +34781 C CD B PRO U 286 ? 0.8984 0.6601 0.6451 0.0914 -0.0007 -0.0069 304 PRO c CD +34782 N N A THR U 287 ? 0.8306 0.6311 0.6059 0.0894 0.0024 -0.0048 305 THR c N +34783 N N B THR U 287 ? 0.8295 0.6297 0.6046 0.0894 0.0024 -0.0049 305 THR c N +34784 C CA A THR U 287 ? 0.8107 0.6182 0.5923 0.0847 0.0024 -0.0039 305 THR c CA +34785 C CA B THR U 287 ? 0.8103 0.6176 0.5916 0.0847 0.0025 -0.0040 305 THR c CA +34786 C C A THR U 287 ? 0.8160 0.6230 0.5997 0.0811 0.0004 -0.0028 305 THR c C +34787 C C B THR U 287 ? 0.8164 0.6231 0.5998 0.0811 0.0004 -0.0028 305 THR c C +34788 O O A THR U 287 ? 0.8263 0.6293 0.6079 0.0827 -0.0009 -0.0025 305 THR c O +34789 O O B THR U 287 ? 0.8280 0.6303 0.6090 0.0826 -0.0009 -0.0026 305 THR c O +34790 C CB A THR U 287 ? 0.8527 0.6719 0.6424 0.0863 0.0040 -0.0036 305 THR c CB +34791 C CB B THR U 287 ? 0.8542 0.6732 0.6438 0.0863 0.0040 -0.0036 305 THR c CB +34792 O OG1 A THR U 287 ? 0.8081 0.6323 0.6028 0.0880 0.0031 -0.0029 305 THR c OG1 +34793 O OG1 B THR U 287 ? 0.8087 0.6323 0.6030 0.0880 0.0030 -0.0029 305 THR c OG1 +34794 C CG2 A THR U 287 ? 0.8274 0.6475 0.6153 0.0908 0.0062 -0.0047 305 THR c CG2 +34795 C CG2 B THR U 287 ? 0.8274 0.6477 0.6154 0.0908 0.0062 -0.0047 305 THR c CG2 +34796 N N A GLY U 288 ? 0.8579 0.6690 0.6456 0.0763 0.0001 -0.0021 306 GLY c N +34797 N N B GLY U 288 ? 0.8608 0.6717 0.6483 0.0763 0.0001 -0.0021 306 GLY c N +34798 C CA A GLY U 288 ? 0.7763 0.5883 0.5670 0.0727 -0.0015 -0.0010 306 GLY c CA +34799 C CA B GLY U 288 ? 0.7758 0.5877 0.5663 0.0727 -0.0015 -0.0010 306 GLY c CA +34800 C C A GLY U 288 ? 0.7954 0.6132 0.5913 0.0749 -0.0020 -0.0002 306 GLY c C +34801 C C B GLY U 288 ? 0.7966 0.6143 0.5924 0.0749 -0.0020 -0.0002 306 GLY c C +34802 O O A GLY U 288 ? 0.7489 0.5627 0.5431 0.0749 -0.0035 0.0003 306 GLY c O +34803 O O B GLY U 288 ? 0.7487 0.5624 0.5428 0.0749 -0.0035 0.0003 306 GLY c O +34804 N N A PRO U 289 ? 0.7747 0.6020 0.5770 0.0768 -0.0008 -0.0001 307 PRO c N +34805 N N B PRO U 289 ? 0.7758 0.6029 0.5780 0.0768 -0.0008 -0.0001 307 PRO c N +34806 C CA A PRO U 289 ? 0.7172 0.5500 0.5243 0.0795 -0.0014 0.0004 307 PRO c CA +34807 C CA B PRO U 289 ? 0.7151 0.5478 0.5221 0.0795 -0.0014 0.0004 307 PRO c CA +34808 C C A PRO U 289 ? 0.8324 0.6587 0.6341 0.0841 -0.0021 -0.0001 307 PRO c C +34809 C C B PRO U 289 ? 0.8344 0.6605 0.6359 0.0840 -0.0021 -0.0001 307 PRO c C +34810 O O A PRO U 289 ? 0.8007 0.6260 0.6027 0.0848 -0.0036 0.0005 307 PRO c O +34811 O O B PRO U 289 ? 0.8013 0.6266 0.6033 0.0847 -0.0036 0.0005 307 PRO c O +34812 C CB A PRO U 289 ? 0.7662 0.6091 0.5797 0.0814 0.0005 0.0002 307 PRO c CB +34813 C CB B PRO U 289 ? 0.7674 0.6101 0.5807 0.0814 0.0005 0.0002 307 PRO c CB +34814 C CG A PRO U 289 ? 0.7340 0.5784 0.5482 0.0777 0.0017 0.0002 307 PRO c CG +34815 C CG B PRO U 289 ? 0.7337 0.5779 0.5477 0.0776 0.0017 0.0002 307 PRO c CG +34816 C CD A PRO U 289 ? 0.7341 0.5677 0.5398 0.0763 0.0011 -0.0004 307 PRO c CD +34817 C CD B PRO U 289 ? 0.7326 0.5662 0.5384 0.0760 0.0010 -0.0003 307 PRO c CD +34818 N N A GLU U 290 ? 0.7905 0.6115 0.5865 0.0872 -0.0010 -0.0012 308 GLU c N +34819 N N B GLU U 290 ? 0.7907 0.6113 0.5864 0.0871 -0.0011 -0.0012 308 GLU c N +34820 C CA A GLU U 290 ? 0.7607 0.5755 0.5513 0.0921 -0.0015 -0.0018 308 GLU c CA +34821 C CA B GLU U 290 ? 0.7593 0.5736 0.5496 0.0920 -0.0016 -0.0018 308 GLU c CA +34822 C C A GLU U 290 ? 0.7762 0.5811 0.5607 0.0905 -0.0034 -0.0014 308 GLU c C +34823 C C B GLU U 290 ? 0.7761 0.5805 0.5602 0.0903 -0.0034 -0.0014 308 GLU c C +34824 O O A GLU U 290 ? 0.8214 0.6241 0.6047 0.0931 -0.0046 -0.0011 308 GLU c O +34825 O O B GLU U 290 ? 0.8236 0.6255 0.6063 0.0930 -0.0046 -0.0011 308 GLU c O +34826 C CB A GLU U 290 ? 0.7943 0.6048 0.5796 0.0952 0.0001 -0.0031 308 GLU c CB +34827 C CB B GLU U 290 ? 0.7935 0.6038 0.5787 0.0951 0.0001 -0.0031 308 GLU c CB +34828 C CG A GLU U 290 ? 0.9016 0.7051 0.6807 0.1006 -0.0002 -0.0039 308 GLU c CG +34829 C CG B GLU U 290 ? 0.9024 0.7060 0.6816 0.1006 -0.0002 -0.0039 308 GLU c CG +34830 C CD A GLU U 290 ? 0.9917 0.7951 0.7685 0.1045 0.0018 -0.0052 308 GLU c CD +34831 C CD B GLU U 290 ? 0.9954 0.7992 0.7724 0.1045 0.0018 -0.0052 308 GLU c CD +34832 O OE1 A GLU U 290 ? 0.8885 0.6915 0.6641 0.1021 0.0031 -0.0057 308 GLU c OE1 +34833 O OE1 B GLU U 290 ? 0.8892 0.6934 0.6657 0.1022 0.0031 -0.0056 308 GLU c OE1 +34834 O OE2 A GLU U 290 ? 0.9230 0.7272 0.6993 0.1099 0.0022 -0.0058 308 GLU c OE2 +34835 O OE2 B GLU U 290 ? 0.9252 0.7289 0.7011 0.1100 0.0021 -0.0058 308 GLU c OE2 +34836 N N A ALA U 291 ? 0.7875 0.5860 0.5678 0.0862 -0.0037 -0.0014 309 ALA c N +34837 N N B ALA U 291 ? 0.7873 0.5856 0.5675 0.0860 -0.0037 -0.0014 309 ALA c N +34838 C CA A ALA U 291 ? 0.7803 0.5691 0.5546 0.0843 -0.0052 -0.0011 309 ALA c CA +34839 C CA B ALA U 291 ? 0.7789 0.5675 0.5531 0.0839 -0.0052 -0.0011 309 ALA c CA +34840 C C A ALA U 291 ? 0.8954 0.6876 0.6740 0.0822 -0.0066 0.0002 309 ALA c C +34841 C C B ALA U 291 ? 0.8980 0.6902 0.6767 0.0819 -0.0066 0.0002 309 ALA c C +34842 O O A ALA U 291 ? 0.8302 0.6161 0.6048 0.0831 -0.0078 0.0006 309 ALA c O +34843 O O B ALA U 291 ? 0.8289 0.6148 0.6036 0.0825 -0.0078 0.0006 309 ALA c O +34844 C CB A ALA U 291 ? 0.7598 0.5424 0.5299 0.0797 -0.0052 -0.0015 309 ALA c CB +34845 C CB B ALA U 291 ? 0.7552 0.5381 0.5255 0.0792 -0.0052 -0.0015 309 ALA c CB +34846 N N A SER U 292 ? 0.8915 0.6934 0.6781 0.0796 -0.0065 0.0009 310 SER c N +34847 N N B SER U 292 ? 0.8949 0.6969 0.6816 0.0794 -0.0064 0.0009 310 SER c N +34848 C CA A SER U 292 ? 0.8281 0.6336 0.6190 0.0775 -0.0078 0.0021 310 SER c CA +34849 C CA B SER U 292 ? 0.8289 0.6347 0.6200 0.0773 -0.0077 0.0021 310 SER c CA +34850 C C A SER U 292 ? 0.8040 0.6125 0.5968 0.0822 -0.0084 0.0023 310 SER c C +34851 C C B SER U 292 ? 0.8036 0.6120 0.5963 0.0821 -0.0084 0.0023 310 SER c C +34852 O O A SER U 292 ? 0.8357 0.6408 0.6268 0.0823 -0.0098 0.0030 310 SER c O +34853 O O B SER U 292 ? 0.8370 0.6420 0.6281 0.0821 -0.0098 0.0030 310 SER c O +34854 C CB A SER U 292 ? 0.7660 0.5809 0.5647 0.0736 -0.0073 0.0026 310 SER c CB +34855 C CB B SER U 292 ? 0.7637 0.5792 0.5628 0.0736 -0.0073 0.0026 310 SER c CB +34856 O OG A SER U 292 ? 0.7867 0.6073 0.5909 0.0726 -0.0083 0.0036 310 SER c OG +34857 O OG B SER U 292 ? 0.7917 0.6113 0.5954 0.0720 -0.0084 0.0037 310 SER c OG +34858 N N A GLN U 293 ? 0.8125 0.6274 0.6087 0.0863 -0.0074 0.0017 311 GLN c N +34859 N N B GLN U 293 ? 0.8130 0.6275 0.6089 0.0862 -0.0073 0.0017 311 GLN c N +34860 C CA A GLN U 293 ? 0.8288 0.6464 0.6265 0.0913 -0.0081 0.0017 311 GLN c CA +34861 C CA B GLN U 293 ? 0.8306 0.6478 0.6280 0.0912 -0.0081 0.0017 311 GLN c CA +34862 C C A GLN U 293 ? 0.8987 0.7053 0.6876 0.0947 -0.0090 0.0014 311 GLN c C +34863 C C B GLN U 293 ? 0.9011 0.7074 0.6898 0.0945 -0.0089 0.0014 311 GLN c C +34864 O O A GLN U 293 ? 0.8677 0.6729 0.6558 0.0969 -0.0104 0.0019 311 GLN c O +34865 O O B GLN U 293 ? 0.8695 0.6744 0.6574 0.0967 -0.0104 0.0019 311 GLN c O +34866 C CB A GLN U 293 ? 0.7770 0.6028 0.5794 0.0951 -0.0066 0.0008 311 GLN c CB +34867 C CB B GLN U 293 ? 0.7769 0.6027 0.5793 0.0950 -0.0066 0.0009 311 GLN c CB +34868 C CG A GLN U 293 ? 0.7504 0.5872 0.5615 0.0921 -0.0056 0.0012 311 GLN c CG +34869 C CG B GLN U 293 ? 0.7483 0.5852 0.5595 0.0920 -0.0056 0.0012 311 GLN c CG +34870 C CD A GLN U 293 ? 0.8269 0.6726 0.6454 0.0930 -0.0066 0.0017 311 GLN c CD +34871 C CD B GLN U 293 ? 0.8281 0.6739 0.6468 0.0927 -0.0066 0.0018 311 GLN c CD +34872 O OE1 A GLN U 293 ? 0.7656 0.6165 0.5871 0.0975 -0.0063 0.0012 311 GLN c OE1 +34873 O OE1 B GLN U 293 ? 0.7647 0.6160 0.5867 0.0971 -0.0064 0.0012 311 GLN c OE1 +34874 N NE2 A GLN U 293 ? 0.7980 0.6453 0.6193 0.0889 -0.0077 0.0028 311 GLN c NE2 +34875 N NE2 B GLN U 293 ? 0.7983 0.6456 0.6196 0.0884 -0.0077 0.0028 311 GLN c NE2 +34876 N N A ALA U 294 ? 0.8035 0.6018 0.5854 0.0949 -0.0081 0.0006 312 ALA c N +34877 N N B ALA U 294 ? 0.8029 0.6010 0.5847 0.0950 -0.0081 0.0005 312 ALA c N +34878 C CA A ALA U 294 ? 0.7502 0.5374 0.5233 0.0981 -0.0088 0.0002 312 ALA c CA +34879 C CA B ALA U 294 ? 0.7477 0.5346 0.5206 0.0980 -0.0088 0.0002 312 ALA c CA +34880 C C A ALA U 294 ? 0.8888 0.6688 0.6580 0.0952 -0.0104 0.0012 312 ALA c C +34881 C C B ALA U 294 ? 0.8917 0.6717 0.6609 0.0952 -0.0104 0.0012 312 ALA c C +34882 O O A ALA U 294 ? 0.8362 0.6092 0.5999 0.0983 -0.0114 0.0013 312 ALA c O +34883 O O B ALA U 294 ? 0.8363 0.6095 0.6002 0.0984 -0.0114 0.0014 312 ALA c O +34884 C CB A ALA U 294 ? 0.7570 0.5368 0.5236 0.0982 -0.0076 -0.0009 312 ALA c CB +34885 C CB B ALA U 294 ? 0.7547 0.5338 0.5209 0.0979 -0.0076 -0.0009 312 ALA c CB +34886 N N A GLN U 295 ? 0.8747 0.6561 0.6465 0.0893 -0.0106 0.0019 313 GLN c N +34887 N N B GLN U 295 ? 0.8756 0.6569 0.6474 0.0893 -0.0106 0.0019 313 GLN c N +34888 C CA A GLN U 295 ? 0.9147 0.6898 0.6832 0.0865 -0.0119 0.0029 313 GLN c CA +34889 C CA B GLN U 295 ? 0.9169 0.6920 0.6854 0.0865 -0.0119 0.0029 313 GLN c CA +34890 C C A GLN U 295 ? 0.8359 0.6155 0.6080 0.0887 -0.0132 0.0038 313 GLN c C +34891 C C B GLN U 295 ? 0.8349 0.6145 0.6070 0.0886 -0.0132 0.0038 313 GLN c C +34892 O O A GLN U 295 ? 0.8681 0.6407 0.6350 0.0901 -0.0143 0.0043 313 GLN c O +34893 O O B GLN U 295 ? 0.8695 0.6420 0.6363 0.0900 -0.0143 0.0043 313 GLN c O +34894 C CB A GLN U 295 ? 0.8490 0.6250 0.6198 0.0799 -0.0118 0.0034 313 GLN c CB +34895 C CB B GLN U 295 ? 0.8492 0.6252 0.6200 0.0798 -0.0118 0.0034 313 GLN c CB +34896 C CG A GLN U 295 ? 0.8017 0.5732 0.5706 0.0769 -0.0131 0.0045 313 GLN c CG +34897 C CG B GLN U 295 ? 0.8008 0.5718 0.5694 0.0768 -0.0131 0.0044 313 GLN c CG +34898 C CD A GLN U 295 ? 0.8564 0.6284 0.6273 0.0704 -0.0130 0.0048 313 GLN c CD +34899 C CD B GLN U 295 ? 0.8582 0.6302 0.6291 0.0704 -0.0130 0.0048 313 GLN c CD +34900 O OE1 A GLN U 295 ? 0.8442 0.6078 0.6099 0.0674 -0.0132 0.0050 313 GLN c OE1 +34901 O OE1 B GLN U 295 ? 0.8457 0.6093 0.6113 0.0673 -0.0132 0.0050 313 GLN c OE1 +34902 N NE2 A GLN U 295 ? 0.7680 0.5500 0.5467 0.0681 -0.0125 0.0050 313 GLN c NE2 +34903 N NE2 B GLN U 295 ? 0.7664 0.5485 0.5452 0.0682 -0.0126 0.0050 313 GLN c NE2 +34904 N N A ALA U 296 ? 0.8287 0.6201 0.6095 0.0890 -0.0131 0.0040 314 ALA c N +34905 N N B ALA U 296 ? 0.8288 0.6201 0.6096 0.0887 -0.0131 0.0040 314 ALA c N +34906 C CA A ALA U 296 ? 0.8568 0.6532 0.6414 0.0913 -0.0145 0.0047 314 ALA c CA +34907 C CA B ALA U 296 ? 0.8569 0.6534 0.6417 0.0911 -0.0145 0.0047 314 ALA c CA +34908 C C A ALA U 296 ? 0.8674 0.6595 0.6474 0.0977 -0.0151 0.0042 314 ALA c C +34909 C C B ALA U 296 ? 0.8676 0.6598 0.6477 0.0975 -0.0151 0.0043 314 ALA c C +34910 O O A ALA U 296 ? 0.8961 0.6842 0.6730 0.0994 -0.0166 0.0049 314 ALA c O +34911 O O B ALA U 296 ? 0.8970 0.6853 0.6742 0.0991 -0.0166 0.0049 314 ALA c O +34912 C CB A ALA U 296 ? 0.7393 0.5491 0.5340 0.0909 -0.0140 0.0047 314 ALA c CB +34913 C CB B ALA U 296 ? 0.7363 0.5462 0.5311 0.0907 -0.0140 0.0047 314 ALA c CB +34914 N N A MET U 297 ? 0.8296 0.6220 0.6084 0.1014 -0.0140 0.0031 315 MET c N +34915 N N B MET U 297 ? 0.8286 0.6212 0.6076 0.1012 -0.0140 0.0031 315 MET c N +34916 C CA A MET U 297 ? 0.8680 0.6564 0.6424 0.1079 -0.0145 0.0025 315 MET c CA +34917 C CA B MET U 297 ? 0.8682 0.6569 0.6428 0.1076 -0.0145 0.0025 315 MET c CA +34918 C C A MET U 297 ? 0.8943 0.6688 0.6583 0.1083 -0.0153 0.0028 315 MET c C +34919 C C B MET U 297 ? 0.8951 0.6699 0.6594 0.1082 -0.0152 0.0028 315 MET c C +34920 O O A MET U 297 ? 0.8667 0.6372 0.6272 0.1122 -0.0166 0.0031 315 MET c O +34921 O O B MET U 297 ? 0.8671 0.6381 0.6279 0.1121 -0.0166 0.0031 315 MET c O +34922 C CB A MET U 297 ? 0.8467 0.6375 0.6214 0.1112 -0.0128 0.0012 315 MET c CB +34923 C CB B MET U 297 ? 0.8453 0.6366 0.6205 0.1109 -0.0128 0.0012 315 MET c CB +34924 C CG A MET U 297 ? 0.9466 0.7317 0.7155 0.1178 -0.0131 0.0004 315 MET c CG +34925 C CG B MET U 297 ? 0.9477 0.7325 0.7165 0.1173 -0.0130 0.0004 315 MET c CG +34926 S SD A MET U 297 ? 1.0780 0.8754 0.8548 0.1239 -0.0130 -0.0004 315 MET c SD +34927 S SD B MET U 297 ? 1.0856 0.8822 0.8618 0.1237 -0.0128 -0.0004 315 MET c SD +34928 C CE A MET U 297 ? 1.0958 0.8969 0.8761 0.1243 -0.0155 0.0008 315 MET c CE +34929 C CE B MET U 297 ? 1.0947 0.8969 0.8759 0.1236 -0.0152 0.0007 315 MET c CE +34930 N N A THR U 298 ? 0.8404 0.6073 0.5994 0.1043 -0.0145 0.0027 316 THR c N +34931 N N B THR U 298 ? 0.8401 0.6072 0.5993 0.1041 -0.0145 0.0027 316 THR c N +34932 C CA A THR U 298 ? 0.8289 0.5822 0.5780 0.1040 -0.0150 0.0029 316 THR c CA +34933 C CA B THR U 298 ? 0.8266 0.5800 0.5758 0.1041 -0.0150 0.0029 316 THR c CA +34934 C C A THR U 298 ? 0.8898 0.6403 0.6376 0.1029 -0.0166 0.0042 316 THR c C +34935 C C B THR U 298 ? 0.8910 0.6414 0.6387 0.1030 -0.0165 0.0042 316 THR c C +34936 O O A THR U 298 ? 0.8766 0.6184 0.6174 0.1060 -0.0175 0.0045 316 THR c O +34937 O O B THR U 298 ? 0.8778 0.6197 0.6186 0.1063 -0.0174 0.0044 316 THR c O +34938 C CB A THR U 298 ? 0.8718 0.6193 0.6175 0.0989 -0.0139 0.0025 316 THR c CB +34939 C CB B THR U 298 ? 0.8726 0.6199 0.6181 0.0991 -0.0139 0.0025 316 THR c CB +34940 O OG1 A THR U 298 ? 0.8719 0.6198 0.6167 0.1010 -0.0126 0.0012 316 THR c OG1 +34941 O OG1 B THR U 298 ? 0.8715 0.6199 0.6166 0.1010 -0.0125 0.0012 316 THR c OG1 +34942 C CG2 A THR U 298 ? 0.8335 0.5673 0.5696 0.0973 -0.0144 0.0029 316 THR c CG2 +34943 C CG2 B THR U 298 ? 0.8283 0.5615 0.5638 0.0981 -0.0144 0.0027 316 THR c CG2 +34944 N N A PHE U 299 ? 0.9243 0.6817 0.6786 0.0985 -0.0169 0.0051 317 PHE c N +34945 N N B PHE U 299 ? 0.9266 0.6836 0.6805 0.0986 -0.0169 0.0051 317 PHE c N +34946 C CA A PHE U 299 ? 0.9013 0.6555 0.6539 0.0971 -0.0183 0.0063 317 PHE c CA +34947 C CA B PHE U 299 ? 0.9020 0.6559 0.6543 0.0972 -0.0183 0.0063 317 PHE c CA +34948 C C A PHE U 299 ? 0.8859 0.6463 0.6422 0.1016 -0.0197 0.0067 317 PHE c C +34949 C C B PHE U 299 ? 0.8863 0.6467 0.6426 0.1016 -0.0197 0.0067 317 PHE c C +34950 O O A PHE U 299 ? 0.8690 0.6238 0.6209 0.1027 -0.0210 0.0075 317 PHE c O +34951 O O B PHE U 299 ? 0.8698 0.6253 0.6223 0.1024 -0.0210 0.0076 317 PHE c O +34952 C CB A PHE U 299 ? 0.8580 0.6150 0.6145 0.0902 -0.0180 0.0070 317 PHE c CB +34953 C CB B PHE U 299 ? 0.8581 0.6151 0.6145 0.0903 -0.0180 0.0070 317 PHE c CB +34954 C CG A PHE U 299 ? 0.8913 0.6387 0.6416 0.0859 -0.0171 0.0069 317 PHE c CG +34955 C CG B PHE U 299 ? 0.8922 0.6398 0.6427 0.0859 -0.0172 0.0069 317 PHE c CG +34956 C CD1 A PHE U 299 ? 0.8685 0.6054 0.6115 0.0844 -0.0176 0.0076 317 PHE c CD1 +34957 C CD1 B PHE U 299 ? 0.8678 0.6048 0.6110 0.0843 -0.0176 0.0076 317 PHE c CD1 +34958 C CD2 A PHE U 299 ? 0.7978 0.5461 0.5489 0.0837 -0.0159 0.0059 317 PHE c CD2 +34959 C CD2 B PHE U 299 ? 0.7932 0.5421 0.5449 0.0836 -0.0159 0.0060 317 PHE c CD2 +34960 C CE1 A PHE U 299 ? 0.9432 0.6710 0.6805 0.0804 -0.0168 0.0073 317 PHE c CE1 +34961 C CE1 B PHE U 299 ? 0.9448 0.6731 0.6825 0.0802 -0.0168 0.0073 317 PHE c CE1 +34962 C CE2 A PHE U 299 ? 0.9388 0.6780 0.6841 0.0800 -0.0153 0.0056 317 PHE c CE2 +34963 C CE2 B PHE U 299 ? 0.9410 0.6814 0.6872 0.0796 -0.0153 0.0057 317 PHE c CE2 +34964 C CZ A PHE U 299 ? 0.8798 0.6090 0.6184 0.0782 -0.0157 0.0063 317 PHE c CZ +34965 C CZ B PHE U 299 ? 0.8802 0.6103 0.6195 0.0779 -0.0157 0.0063 317 PHE c CZ +34966 N N . LEU U 300 ? 0.7937 0.5649 0.5573 0.1044 -0.0195 0.0060 318 LEU c N +34967 C CA . LEU U 300 ? 0.8914 0.6679 0.6578 0.1096 -0.0209 0.0061 318 LEU c CA +34968 C C . LEU U 300 ? 1.0803 0.8472 0.8381 0.1153 -0.0216 0.0058 318 LEU c C +34969 O O . LEU U 300 ? 1.0061 0.7707 0.7616 0.1183 -0.0234 0.0064 318 LEU c O +34970 C CB . LEU U 300 ? 0.7688 0.5582 0.5444 0.1116 -0.0203 0.0052 318 LEU c CB +34971 C CG . LEU U 300 ? 0.9229 0.7205 0.7037 0.1163 -0.0218 0.0051 318 LEU c CG +34972 C CD1 . LEU U 300 ? 0.8340 0.6458 0.6257 0.1155 -0.0210 0.0046 318 LEU c CD1 +34973 C CD2 . LEU U 300 ? 1.0045 0.7979 0.7804 0.1234 -0.0223 0.0043 318 LEU c CD2 +34974 N N . ILE U 301 ? 0.9555 0.7161 0.7080 0.1169 -0.0204 0.0049 319 ILE c N +34975 C CA . ILE U 301 ? 0.9328 0.6837 0.6768 0.1224 -0.0209 0.0045 319 ILE c CA +34976 C C . ILE U 301 ? 0.9877 0.7258 0.7226 0.1207 -0.0218 0.0055 319 ILE c C +34977 O O . ILE U 301 ? 0.9055 0.6382 0.6353 0.1250 -0.0232 0.0059 319 ILE c O +34978 C CB . ILE U 301 ? 0.9915 0.7387 0.7321 0.1240 -0.0192 0.0032 319 ILE c CB +34979 C CG1 . ILE U 301 ? 0.8963 0.6556 0.6449 0.1273 -0.0184 0.0021 319 ILE c CG1 +34980 C CG2 . ILE U 301 ? 0.9858 0.7199 0.7155 0.1284 -0.0196 0.0029 319 ILE c CG2 +34981 C CD1 . ILE U 301 ? 0.9707 0.7280 0.7172 0.1278 -0.0164 0.0008 319 ILE c CD1 +34982 N N . ARG U 302 ? 0.9153 0.6483 0.6479 0.1145 -0.0209 0.0060 320 ARG c N +34983 C CA . ARG U 302 ? 0.9469 0.6675 0.6708 0.1125 -0.0214 0.0069 320 ARG c CA +34984 C C . ARG U 302 ? 1.0104 0.7328 0.7355 0.1129 -0.0230 0.0082 320 ARG c C +34985 O O . ARG U 302 ? 1.0020 0.7151 0.7194 0.1154 -0.0240 0.0088 320 ARG c O +34986 C CB . ARG U 302 ? 0.8359 0.5524 0.5584 0.1054 -0.0201 0.0071 320 ARG c CB +34987 C CG . ARG U 302 ? 0.9050 0.6088 0.6188 0.1031 -0.0204 0.0080 320 ARG c CG +34988 C CD . ARG U 302 ? 1.0000 0.7025 0.7148 0.0955 -0.0195 0.0084 320 ARG c CD +34989 N NE . ARG U 302 ? 0.9409 0.6522 0.6631 0.0923 -0.0201 0.0094 320 ARG c NE +34990 C CZ . ARG U 302 ? 0.9772 0.6870 0.6998 0.0863 -0.0197 0.0101 320 ARG c CZ +34991 N NH1 . ARG U 302 ? 0.9230 0.6230 0.6394 0.0825 -0.0187 0.0100 320 ARG c NH1 +34992 N NH2 . ARG U 302 ? 0.8912 0.6092 0.6206 0.0840 -0.0203 0.0110 320 ARG c NH2 +34993 N N . ASP U 303 ? 0.9682 0.7022 0.7026 0.1105 -0.0234 0.0086 321 ASP c N +34994 C CA . ASP U 303 ? 0.9076 0.6434 0.6433 0.1103 -0.0250 0.0097 321 ASP c CA +34995 C C . ASP U 303 ? 0.9538 0.6930 0.6902 0.1172 -0.0267 0.0096 321 ASP c C +34996 O O . ASP U 303 ? 0.9051 0.6399 0.6376 0.1189 -0.0283 0.0105 321 ASP c O +34997 C CB . ASP U 303 ? 0.8470 0.5937 0.5922 0.1051 -0.0247 0.0101 321 ASP c CB +34998 C CG . ASP U 303 ? 0.8742 0.6169 0.6182 0.0981 -0.0233 0.0105 321 ASP c CG +34999 O OD1 . ASP U 303 ? 0.8957 0.6273 0.6317 0.0970 -0.0225 0.0103 321 ASP c OD1 +35000 O OD2 . ASP U 303 ? 0.8488 0.5994 0.5999 0.0936 -0.0231 0.0108 321 ASP c OD2 +35001 N N . GLN U 304 ? 0.8274 0.5743 0.5686 0.1213 -0.0266 0.0084 322 GLN c N +35002 C CA . GLN U 304 ? 0.8875 0.6373 0.6292 0.1282 -0.0283 0.0081 322 GLN c CA +35003 C C . GLN U 304 ? 0.9881 0.7245 0.7185 0.1327 -0.0290 0.0083 322 GLN c C +35004 O O . GLN U 304 ? 0.9573 0.6917 0.6849 0.1368 -0.0309 0.0087 322 GLN c O +35005 C CB . GLN U 304 ? 0.9105 0.6709 0.6595 0.1316 -0.0276 0.0067 322 GLN c CB +35006 C CG . GLN U 304 ? 0.9879 0.7537 0.7393 0.1386 -0.0294 0.0061 322 GLN c CG +35007 C CD . GLN U 304 ? 0.9605 0.7388 0.7209 0.1411 -0.0286 0.0048 322 GLN c CD +35008 O OE1 . GLN U 304 ? 0.9181 0.7080 0.6870 0.1419 -0.0296 0.0046 322 GLN c OE1 +35009 N NE2 . GLN U 304 ? 0.9032 0.6791 0.6615 0.1422 -0.0268 0.0038 322 GLN c NE2 +35010 N N . LYS U 305 ? 0.9606 0.6872 0.6840 0.1318 -0.0275 0.0079 323 LYS c N +35011 C CA . LYS U 305 ? 1.0593 0.7718 0.7711 0.1354 -0.0280 0.0081 323 LYS c CA +35012 C C . LYS U 305 ? 1.0747 0.7786 0.7803 0.1331 -0.0290 0.0096 323 LYS c C +35013 O O . LYS U 305 ? 1.0862 0.7810 0.7837 0.1374 -0.0301 0.0101 323 LYS c O +35014 C CB . LYS U 305 ? 0.9070 0.6103 0.6125 0.1338 -0.0261 0.0073 323 LYS c CB +35015 C CG . LYS U 305 ? 1.0290 0.7375 0.7376 0.1375 -0.0251 0.0057 323 LYS c CG +35016 C CD . LYS U 305 ? 0.9453 0.6427 0.6460 0.1359 -0.0234 0.0051 323 LYS c CD +35017 C CE . LYS U 305 ? 0.9884 0.6902 0.6915 0.1394 -0.0222 0.0035 323 LYS c CE +35018 N NZ . LYS U 305 ? 1.1339 0.8242 0.8287 0.1381 -0.0208 0.0028 323 LYS c NZ +35019 N N . LEU U 306 ? 0.9867 0.6930 0.6957 0.1265 -0.0284 0.0104 324 LEU c N +35020 C CA . LEU U 306 ? 0.9715 0.6702 0.6750 0.1240 -0.0291 0.0119 324 LEU c CA +35021 C C . LEU U 306 ? 0.9173 0.6225 0.6245 0.1268 -0.0313 0.0126 324 LEU c C +35022 O O . LEU U 306 ? 0.9673 0.6665 0.6700 0.1254 -0.0320 0.0139 324 LEU c O +35023 C CB . LEU U 306 ? 0.9496 0.6483 0.6553 0.1159 -0.0277 0.0125 324 LEU c CB +35024 C CG . LEU U 306 ? 1.1043 0.7943 0.8047 0.1126 -0.0257 0.0119 324 LEU c CG +35025 C CD1 . LEU U 306 ? 0.9074 0.5988 0.6110 0.1045 -0.0244 0.0124 324 LEU c CD1 +35026 C CD2 . LEU U 306 ? 0.9396 0.6139 0.6275 0.1150 -0.0259 0.0124 324 LEU c CD2 +35027 N N . GLY U 307 ? 1.0130 0.7303 0.7285 0.1307 -0.0323 0.0118 325 GLY c N +35028 C CA . GLY U 307 ? 0.9587 0.6828 0.6782 0.1336 -0.0345 0.0122 325 GLY c CA +35029 C C . GLY U 307 ? 1.0375 0.7757 0.7685 0.1300 -0.0346 0.0122 325 GLY c C +35030 O O . GLY U 307 ? 1.0379 0.7823 0.7726 0.1322 -0.0366 0.0124 325 GLY c O +35031 N N . ALA U 308 ? 0.9902 0.7335 0.7268 0.1246 -0.0327 0.0118 326 ALA c N +35032 C CA . ALA U 308 ? 0.9214 0.6777 0.6687 0.1211 -0.0328 0.0118 326 ALA c CA +35033 C C . ALA U 308 ? 0.8719 0.6408 0.6278 0.1254 -0.0336 0.0106 326 ALA c C +35034 O O . ALA U 308 ? 0.9595 0.7295 0.7156 0.1290 -0.0329 0.0095 326 ALA c O +35035 C CB . ALA U 308 ? 0.8889 0.6468 0.6394 0.1145 -0.0306 0.0117 326 ALA c CB +35036 N N . ASN U 309 ? 0.8375 0.6160 0.6005 0.1252 -0.0350 0.0108 327 ASN c N +35037 C CA . ASN U 309 ? 0.8323 0.6246 0.6054 0.1278 -0.0356 0.0097 327 ASN c CA +35038 C C . ASN U 309 ? 0.9133 0.7139 0.6944 0.1222 -0.0336 0.0094 327 ASN c C +35039 O O . ASN U 309 ? 0.8358 0.6408 0.6212 0.1175 -0.0337 0.0101 327 ASN c O +35040 C CB . ASN U 309 ? 0.8847 0.6833 0.6616 0.1299 -0.0381 0.0100 327 ASN c CB +35041 C CG . ASN U 309 ? 0.9698 0.7606 0.7388 0.1359 -0.0403 0.0102 327 ASN c CG +35042 O OD1 . ASN U 309 ? 1.1372 0.9219 0.9007 0.1403 -0.0400 0.0097 327 ASN c OD1 +35043 N ND2 . ASN U 309 ? 1.0375 0.8283 0.8057 0.1363 -0.0424 0.0110 327 ASN c ND2 +35044 N N . VAL U 310 ? 0.8743 0.6765 0.6568 0.1228 -0.0318 0.0085 328 VAL c N +35045 C CA . VAL U 310 ? 0.8962 0.7033 0.6840 0.1172 -0.0297 0.0083 328 VAL c CA +35046 C C . VAL U 310 ? 0.8870 0.7087 0.6863 0.1161 -0.0298 0.0079 328 VAL c C +35047 O O . VAL U 310 ? 0.9757 0.8020 0.7798 0.1108 -0.0287 0.0082 328 VAL c O +35048 C CB . VAL U 310 ? 0.8880 0.6914 0.6729 0.1180 -0.0277 0.0075 328 VAL c CB +35049 C CG1 . VAL U 310 ? 0.8230 0.6115 0.5967 0.1172 -0.0273 0.0080 328 VAL c CG1 +35050 C CG2 . VAL U 310 ? 0.8534 0.6614 0.6404 0.1245 -0.0279 0.0062 328 VAL c CG2 +35051 N N . GLY U 311 ? 0.8268 0.6557 0.6304 0.1211 -0.0313 0.0072 329 GLY c N +35052 C CA . GLY U 311 ? 0.7633 0.6061 0.5778 0.1202 -0.0315 0.0067 329 GLY c CA +35053 C C . GLY U 311 ? 0.9580 0.8043 0.7759 0.1164 -0.0328 0.0076 329 GLY c C +35054 O O . GLY U 311 ? 0.8789 0.7357 0.7056 0.1137 -0.0324 0.0073 329 GLY c O +35055 N N . SER U 312 ? 0.7904 0.6280 0.6014 0.1161 -0.0342 0.0086 330 SER c N +35056 C CA . SER U 312 ? 0.8298 0.6701 0.6433 0.1131 -0.0357 0.0095 330 SER c CA +35057 C C . SER U 312 ? 0.8200 0.6518 0.6282 0.1076 -0.0348 0.0107 330 SER c C +35058 O O . SER U 312 ? 0.7957 0.6279 0.6045 0.1051 -0.0359 0.0115 330 SER c O +35059 C CB . SER U 312 ? 0.8331 0.6720 0.6438 0.1181 -0.0385 0.0096 330 SER c CB +35060 O OG . SER U 312 ? 0.8321 0.6580 0.6320 0.1206 -0.0389 0.0101 330 SER c OG +35061 N N . ALA U 313 ? 0.7894 0.6135 0.5924 0.1058 -0.0329 0.0108 331 ALA c N +35062 C CA . ALA U 313 ? 0.8662 0.6826 0.6646 0.1004 -0.0320 0.0119 331 ALA c CA +35063 C C . ALA U 313 ? 0.8928 0.7173 0.6990 0.0947 -0.0308 0.0120 331 ALA c C +35064 O O . ALA U 313 ? 0.8476 0.6770 0.6581 0.0936 -0.0292 0.0113 331 ALA c O +35065 C CB . ALA U 313 ? 0.7993 0.6046 0.5894 0.1004 -0.0306 0.0119 331 ALA c CB +35066 N N . GLN U 314 ? 0.8360 0.6616 0.6437 0.0912 -0.0315 0.0128 332 GLN c N +35067 C CA . GLN U 314 ? 0.8173 0.6500 0.6320 0.0859 -0.0306 0.0130 332 GLN c CA +35068 C C . GLN U 314 ? 0.7545 0.5800 0.5650 0.0809 -0.0289 0.0136 332 GLN c C +35069 O O . GLN U 314 ? 0.8218 0.6377 0.6250 0.0800 -0.0291 0.0143 332 GLN c O +35070 C CB . GLN U 314 ? 0.7499 0.5865 0.5674 0.0848 -0.0323 0.0136 332 GLN c CB +35071 C CG . GLN U 314 ? 0.7711 0.6146 0.5954 0.0794 -0.0317 0.0139 332 GLN c CG +35072 C CD . GLN U 314 ? 0.8849 0.7284 0.7089 0.0780 -0.0333 0.0147 332 GLN c CD +35073 O OE1 . GLN U 314 ? 0.8662 0.7050 0.6853 0.0814 -0.0349 0.0150 332 GLN c OE1 +35074 N NE2 . GLN U 314 ? 0.7567 0.6050 0.5858 0.0733 -0.0328 0.0151 332 GLN c NE2 +35075 N N A GLY U 315 ? 0.7318 0.5619 0.5469 0.0778 -0.0273 0.0131 333 GLY c N +35076 N N B GLY U 315 ? 0.7311 0.5611 0.5461 0.0778 -0.0273 0.0131 333 GLY c N +35077 C CA A GLY U 315 ? 0.7589 0.5832 0.5710 0.0729 -0.0258 0.0135 333 GLY c CA +35078 C CA B GLY U 315 ? 0.7585 0.5829 0.5706 0.0729 -0.0258 0.0135 333 GLY c CA +35079 C C A GLY U 315 ? 0.7750 0.6017 0.5901 0.0680 -0.0259 0.0143 333 GLY c C +35080 C C B GLY U 315 ? 0.7752 0.6019 0.5903 0.0679 -0.0259 0.0143 333 GLY c C +35081 O O A GLY U 315 ? 0.7438 0.5769 0.5637 0.0681 -0.0270 0.0145 333 GLY c O +35082 O O B GLY U 315 ? 0.7442 0.5773 0.5641 0.0680 -0.0270 0.0145 333 GLY c O +35083 N N A PRO U 316 ? 0.7912 0.6126 0.6036 0.0635 -0.0247 0.0146 334 PRO c N +35084 N N B PRO U 316 ? 0.7919 0.6132 0.6042 0.0635 -0.0247 0.0146 334 PRO c N +35085 C CA A PRO U 316 ? 0.7455 0.5681 0.5600 0.0588 -0.0247 0.0154 334 PRO c CA +35086 C CA B PRO U 316 ? 0.7450 0.5673 0.5593 0.0587 -0.0246 0.0154 334 PRO c CA +35087 C C A PRO U 316 ? 0.8086 0.6423 0.6322 0.0568 -0.0247 0.0153 334 PRO c C +35088 C C B PRO U 316 ? 0.8108 0.6443 0.6342 0.0566 -0.0247 0.0153 334 PRO c C +35089 O O A PRO U 316 ? 0.7280 0.5640 0.5538 0.0545 -0.0253 0.0159 334 PRO c O +35090 O O B PRO U 316 ? 0.7267 0.5624 0.5524 0.0542 -0.0252 0.0159 334 PRO c O +35091 C CB A PRO U 316 ? 0.7669 0.5829 0.5776 0.0547 -0.0232 0.0154 334 PRO c CB +35092 C CB B PRO U 316 ? 0.7664 0.5821 0.5769 0.0547 -0.0232 0.0154 334 PRO c CB +35093 C CG A PRO U 316 ? 0.8717 0.6789 0.6749 0.0578 -0.0230 0.0151 334 PRO c CG +35094 C CG B PRO U 316 ? 0.8756 0.6831 0.6790 0.0579 -0.0229 0.0150 334 PRO c CG +35095 C CD A PRO U 316 ? 0.8182 0.6307 0.6241 0.0630 -0.0235 0.0144 334 PRO c CD +35096 C CD B PRO U 316 ? 0.8185 0.6317 0.6249 0.0629 -0.0234 0.0143 334 PRO c CD +35097 N N A THR U 317 ? 0.7446 0.5850 0.5732 0.0575 -0.0240 0.0145 335 THR c N +35098 N N B THR U 317 ? 0.7438 0.5840 0.5723 0.0574 -0.0240 0.0145 335 THR c N +35099 C CA A THR U 317 ? 0.7561 0.6067 0.5932 0.0554 -0.0239 0.0144 335 THR c CA +35100 C CA B THR U 317 ? 0.7570 0.6075 0.5940 0.0553 -0.0238 0.0144 335 THR c CA +35101 C C A THR U 317 ? 0.8077 0.6656 0.6494 0.0587 -0.0253 0.0142 335 THR c C +35102 C C B THR U 317 ? 0.8102 0.6679 0.6518 0.0585 -0.0252 0.0142 335 THR c C +35103 O O A THR U 317 ? 0.7825 0.6487 0.6311 0.0569 -0.0254 0.0142 335 THR c O +35104 O O B THR U 317 ? 0.7835 0.6494 0.6320 0.0567 -0.0254 0.0142 335 THR c O +35105 C CB A THR U 317 ? 0.7730 0.6276 0.6135 0.0544 -0.0224 0.0137 335 THR c CB +35106 C CB B THR U 317 ? 0.7743 0.6287 0.6147 0.0545 -0.0223 0.0137 335 THR c CB +35107 O OG1 A THR U 317 ? 0.7876 0.6432 0.6275 0.0591 -0.0223 0.0130 335 THR c OG1 +35108 O OG1 B THR U 317 ? 0.7893 0.6447 0.6291 0.0592 -0.0223 0.0129 335 THR c OG1 +35109 C CG2 A THR U 317 ? 0.6471 0.4947 0.4831 0.0512 -0.0211 0.0138 335 THR c CG2 +35110 C CG2 B THR U 317 ? 0.6448 0.4923 0.4808 0.0512 -0.0211 0.0137 335 THR c CG2 +35111 N N A GLY U 318 ? 0.6713 0.5264 0.5095 0.0635 -0.0264 0.0140 336 GLY c N +35112 N N B GLY U 318 ? 0.6696 0.5246 0.5078 0.0633 -0.0263 0.0140 336 GLY c N +35113 C CA A GLY U 318 ? 0.6893 0.5515 0.5320 0.0671 -0.0278 0.0136 336 GLY c CA +35114 C CA B GLY U 318 ? 0.6880 0.5501 0.5306 0.0670 -0.0278 0.0136 336 GLY c CA +35115 C C A GLY U 318 ? 0.7520 0.6186 0.5972 0.0709 -0.0273 0.0125 336 GLY c C +35116 C C B GLY U 318 ? 0.7537 0.6198 0.5985 0.0709 -0.0273 0.0126 336 GLY c C +35117 O O A GLY U 318 ? 0.7309 0.6011 0.5776 0.0752 -0.0286 0.0121 336 GLY c O +35118 O O B GLY U 318 ? 0.7325 0.6017 0.5784 0.0753 -0.0286 0.0121 336 GLY c O +35119 N N A LEU U 319 ? 0.7110 0.5776 0.5567 0.0696 -0.0254 0.0121 337 LEU c N +35120 N N B LEU U 319 ? 0.7112 0.5774 0.5565 0.0695 -0.0254 0.0122 337 LEU c N +35121 C CA A LEU U 319 ? 0.7253 0.5939 0.5715 0.0734 -0.0247 0.0112 337 LEU c CA +35122 C CA B LEU U 319 ? 0.7264 0.5944 0.5722 0.0732 -0.0246 0.0112 337 LEU c CA +35123 C C A LEU U 319 ? 0.8023 0.6615 0.6402 0.0773 -0.0252 0.0111 337 LEU c C +35124 C C B LEU U 319 ? 0.8057 0.6643 0.6432 0.0772 -0.0251 0.0111 337 LEU c C +35125 O O A LEU U 319 ? 0.7158 0.5656 0.5468 0.0759 -0.0254 0.0118 337 LEU c O +35126 O O B LEU U 319 ? 0.7143 0.5636 0.5449 0.0758 -0.0253 0.0118 337 LEU c O +35127 C CB A LEU U 319 ? 0.6843 0.5545 0.5324 0.0706 -0.0225 0.0109 337 LEU c CB +35128 C CB B LEU U 319 ? 0.6819 0.5513 0.5295 0.0704 -0.0225 0.0109 337 LEU c CB +35129 C CG A LEU U 319 ? 0.7813 0.6608 0.6375 0.0671 -0.0217 0.0108 337 LEU c CG +35130 C CG B LEU U 319 ? 0.7853 0.6641 0.6410 0.0668 -0.0216 0.0109 337 LEU c CG +35131 C CD1 A LEU U 319 ? 0.6941 0.5724 0.5499 0.0640 -0.0197 0.0107 337 LEU c CD1 +35132 C CD1 B LEU U 319 ? 0.6925 0.5698 0.5477 0.0636 -0.0197 0.0108 337 LEU c CD1 +35133 C CD2 A LEU U 319 ? 0.6608 0.5500 0.5237 0.0702 -0.0218 0.0101 337 LEU c CD2 +35134 C CD2 B LEU U 319 ? 0.6604 0.5489 0.5229 0.0698 -0.0217 0.0101 337 LEU c CD2 +35135 N N A GLY U 320 ? 0.7529 0.6145 0.5914 0.0822 -0.0252 0.0102 338 GLY c N +35136 N N B GLY U 320 ? 0.7554 0.6165 0.5936 0.0821 -0.0252 0.0102 338 GLY c N +35137 C CA A GLY U 320 ? 0.7071 0.5599 0.5377 0.0863 -0.0255 0.0100 338 GLY c CA +35138 C CA B GLY U 320 ? 0.7053 0.5576 0.5356 0.0862 -0.0255 0.0100 338 GLY c CA +35139 C C A GLY U 320 ? 0.8067 0.6496 0.6304 0.0840 -0.0242 0.0102 338 GLY c C +35140 C C B GLY U 320 ? 0.8095 0.6519 0.6328 0.0839 -0.0242 0.0103 338 GLY c C +35141 O O A GLY U 320 ? 0.7712 0.6158 0.5968 0.0812 -0.0225 0.0099 338 GLY c O +35142 O O B GLY U 320 ? 0.7718 0.6158 0.5970 0.0810 -0.0225 0.0100 338 GLY c O +35143 N N A LYS U 321 ? 0.8021 0.6345 0.6174 0.0851 -0.0249 0.0107 339 LYS c N +35144 N N B LYS U 321 ? 0.8029 0.6348 0.6179 0.0850 -0.0249 0.0108 339 LYS c N +35145 C CA A LYS U 321 ? 0.7945 0.6168 0.6026 0.0830 -0.0238 0.0109 339 LYS c CA +35146 C CA B LYS U 321 ? 0.7950 0.6168 0.6028 0.0829 -0.0238 0.0109 339 LYS c CA +35147 C C A LYS U 321 ? 0.8578 0.6785 0.6639 0.0859 -0.0225 0.0098 339 LYS c C +35148 C C B LYS U 321 ? 0.8614 0.6818 0.6673 0.0857 -0.0225 0.0098 339 LYS c C +35149 O O A LYS U 321 ? 0.7862 0.6030 0.5900 0.0832 -0.0211 0.0096 339 LYS c O +35150 O O B LYS U 321 ? 0.7844 0.6012 0.5883 0.0829 -0.0211 0.0096 339 LYS c O +35151 C CB A LYS U 321 ? 0.7620 0.5734 0.5615 0.0839 -0.0248 0.0116 339 LYS c CB +35152 C CB B LYS U 321 ? 0.7608 0.5718 0.5600 0.0839 -0.0248 0.0116 339 LYS c CB +35153 C CG A LYS U 321 ? 0.8324 0.6335 0.6250 0.0804 -0.0236 0.0119 339 LYS c CG +35154 C CG B LYS U 321 ? 0.8349 0.6354 0.6270 0.0805 -0.0237 0.0119 339 LYS c CG +35155 C CD A LYS U 321 ? 0.8388 0.6287 0.6226 0.0814 -0.0245 0.0126 339 LYS c CD +35156 C CD B LYS U 321 ? 0.8386 0.6281 0.6220 0.0817 -0.0246 0.0127 339 LYS c CD +35157 C CE A LYS U 321 ? 0.8155 0.6065 0.6005 0.0793 -0.0256 0.0137 339 LYS c CE +35158 C CE B LYS U 321 ? 0.8170 0.6074 0.6015 0.0794 -0.0257 0.0138 339 LYS c CE +35159 N NZ A LYS U 321 ? 0.8388 0.6188 0.6146 0.0813 -0.0265 0.0144 339 LYS c NZ +35160 N NZ B LYS U 321 ? 0.8364 0.6154 0.6116 0.0807 -0.0264 0.0146 339 LYS c NZ +35161 N N A TYR U 322 ? 0.8040 0.6274 0.6108 0.0916 -0.0231 0.0091 340 TYR c N +35162 N N B TYR U 322 ? 0.8061 0.6292 0.6126 0.0914 -0.0231 0.0092 340 TYR c N +35163 C CA A TYR U 322 ? 0.7761 0.5981 0.5808 0.0951 -0.0220 0.0081 340 TYR c CA +35164 C CA B TYR U 322 ? 0.7750 0.5965 0.5794 0.0949 -0.0220 0.0081 340 TYR c CA +35165 C C A TYR U 322 ? 0.7785 0.6122 0.5917 0.0968 -0.0212 0.0072 340 TYR c C +35166 C C B TYR U 322 ? 0.7782 0.6113 0.5909 0.0967 -0.0212 0.0072 340 TYR c C +35167 O O A TYR U 322 ? 0.7724 0.6069 0.5858 0.0972 -0.0196 0.0064 340 TYR c O +35168 O O B TYR U 322 ? 0.7713 0.6050 0.5842 0.0970 -0.0195 0.0064 340 TYR c O +35169 C CB A TYR U 322 ? 0.8237 0.6383 0.6214 0.1009 -0.0231 0.0079 340 TYR c CB +35170 C CB B TYR U 322 ? 0.8251 0.6392 0.6225 0.1007 -0.0231 0.0079 340 TYR c CB +35171 C CG A TYR U 322 ? 0.8257 0.6281 0.6144 0.0997 -0.0239 0.0088 340 TYR c CG +35172 C CG B TYR U 322 ? 0.8264 0.6283 0.6147 0.0996 -0.0239 0.0088 340 TYR c CG +35173 C CD1 A TYR U 322 ? 0.7390 0.5311 0.5203 0.0982 -0.0228 0.0087 340 TYR c CD1 +35174 C CD1 B TYR U 322 ? 0.7384 0.5297 0.5191 0.0983 -0.0228 0.0087 340 TYR c CD1 +35175 C CD2 A TYR U 322 ? 0.7886 0.5899 0.5764 0.1000 -0.0257 0.0097 340 TYR c CD2 +35176 C CD2 B TYR U 322 ? 0.7890 0.5898 0.5764 0.0998 -0.0256 0.0097 340 TYR c CD2 +35177 C CE1 A TYR U 322 ? 0.8223 0.6031 0.5954 0.0968 -0.0233 0.0095 340 TYR c CE1 +35178 C CE1 B TYR U 322 ? 0.8239 0.6040 0.5963 0.0971 -0.0233 0.0095 340 TYR c CE1 +35179 C CE2 A TYR U 322 ? 0.7853 0.5751 0.5646 0.0987 -0.0262 0.0106 340 TYR c CE2 +35180 C CE2 B TYR U 322 ? 0.7844 0.5737 0.5632 0.0988 -0.0261 0.0106 340 TYR c CE2 +35181 C CZ A TYR U 322 ? 0.8173 0.5970 0.5894 0.0971 -0.0249 0.0105 340 TYR c CZ +35182 C CZ B TYR U 322 ? 0.8195 0.5986 0.5911 0.0973 -0.0249 0.0105 340 TYR c CZ +35183 O OH A TYR U 322 ? 0.8232 0.5916 0.5871 0.0956 -0.0252 0.0114 340 TYR c OH +35184 O OH B TYR U 322 ? 0.8233 0.5909 0.5864 0.0960 -0.0252 0.0113 340 TYR c OH +35185 N N A LEU U 323 ? 0.7217 0.5643 0.5415 0.0979 -0.0224 0.0073 341 LEU c N +35186 N N B LEU U 323 ? 0.7216 0.5637 0.5410 0.0978 -0.0223 0.0073 341 LEU c N +35187 C CA A LEU U 323 ? 0.7575 0.6116 0.5855 0.0999 -0.0218 0.0064 341 LEU c CA +35188 C CA B LEU U 323 ? 0.7563 0.6098 0.5840 0.0998 -0.0217 0.0064 341 LEU c CA +35189 C C A LEU U 323 ? 0.7468 0.6102 0.5830 0.0963 -0.0222 0.0068 341 LEU c C +35190 C C B LEU U 323 ? 0.7482 0.6113 0.5841 0.0962 -0.0222 0.0068 341 LEU c C +35191 O O A LEU U 323 ? 0.7175 0.5796 0.5532 0.0947 -0.0238 0.0077 341 LEU c O +35192 O O B LEU U 323 ? 0.7164 0.5781 0.5518 0.0947 -0.0238 0.0077 341 LEU c O +35193 C CB A LEU U 323 ? 0.8589 0.7147 0.6867 0.1067 -0.0230 0.0056 341 LEU c CB +35194 C CB B LEU U 323 ? 0.8635 0.7189 0.6910 0.1065 -0.0229 0.0056 341 LEU c CB +35195 C CG A LEU U 323 ? 0.8722 0.7186 0.6917 0.1112 -0.0228 0.0051 341 LEU c CG +35196 C CG B LEU U 323 ? 0.8737 0.7199 0.6930 0.1109 -0.0225 0.0050 341 LEU c CG +35197 C CD1 A LEU U 323 ? 0.8515 0.7000 0.6711 0.1178 -0.0244 0.0044 341 LEU c CD1 +35198 C CD1 B LEU U 323 ? 0.8523 0.6998 0.6711 0.1174 -0.0242 0.0045 341 LEU c CD1 +35199 C CD2 A LEU U 323 ? 0.8285 0.6756 0.6483 0.1110 -0.0203 0.0042 341 LEU c CD2 +35200 C CD2 B LEU U 323 ? 0.8244 0.6727 0.6450 0.1110 -0.0201 0.0041 341 LEU c CD2 +35201 N N A MET U 324 ? 0.6815 0.5543 0.5251 0.0950 -0.0208 0.0063 342 MET c N +35202 N N B MET U 324 ? 0.6803 0.5527 0.5236 0.0950 -0.0207 0.0063 342 MET c N +35203 C CA A MET U 324 ? 0.7674 0.6495 0.6191 0.0916 -0.0209 0.0066 342 MET c CA +35204 C CA B MET U 324 ? 0.7680 0.6498 0.6195 0.0915 -0.0209 0.0066 342 MET c CA +35205 C C A MET U 324 ? 0.7369 0.6295 0.5962 0.0932 -0.0195 0.0056 342 MET c C +35206 C C B MET U 324 ? 0.7373 0.6296 0.5964 0.0930 -0.0195 0.0056 342 MET c C +35207 O O A MET U 324 ? 0.7949 0.6874 0.6530 0.0971 -0.0186 0.0047 342 MET c O +35208 O O B MET U 324 ? 0.7973 0.6894 0.6551 0.0969 -0.0185 0.0047 342 MET c O +35209 C CB A MET U 324 ? 0.7591 0.6388 0.6104 0.0854 -0.0201 0.0074 342 MET c CB +35210 C CB B MET U 324 ? 0.7603 0.6396 0.6113 0.0853 -0.0201 0.0075 342 MET c CB +35211 C CG A MET U 324 ? 0.7739 0.6511 0.6234 0.0836 -0.0178 0.0071 342 MET c CG +35212 C CG B MET U 324 ? 0.7742 0.6519 0.6241 0.0834 -0.0178 0.0071 342 MET c CG +35213 S SD A MET U 324 ? 0.7808 0.6555 0.6300 0.0765 -0.0171 0.0081 342 MET c SD +35214 S SD B MET U 324 ? 0.7826 0.6569 0.6316 0.0764 -0.0171 0.0081 342 MET c SD +35215 C CE A MET U 324 ? 0.7140 0.6017 0.5738 0.0740 -0.0165 0.0080 342 MET c CE +35216 C CE B MET U 324 ? 0.7134 0.6004 0.5729 0.0734 -0.0165 0.0082 342 MET c CE +35217 N N A ARG U 325 ? 0.6610 0.5626 0.5281 0.0900 -0.0193 0.0057 343 ARG c N +35218 N N B ARG U 325 ? 0.6588 0.5601 0.5257 0.0900 -0.0193 0.0057 343 ARG c N +35219 C CA A ARG U 325 ? 0.7859 0.6977 0.6606 0.0906 -0.0177 0.0049 343 ARG c CA +35220 C CA B ARG U 325 ? 0.7875 0.6991 0.6621 0.0906 -0.0177 0.0049 343 ARG c CA +35221 C C A ARG U 325 ? 0.7830 0.6960 0.6594 0.0859 -0.0154 0.0052 343 ARG c C +35222 C C B ARG U 325 ? 0.7853 0.6981 0.6616 0.0859 -0.0154 0.0052 343 ARG c C +35223 O O A ARG U 325 ? 0.7606 0.6705 0.6357 0.0813 -0.0156 0.0061 343 ARG c O +35224 O O B ARG U 325 ? 0.7629 0.6726 0.6379 0.0813 -0.0156 0.0061 343 ARG c O +35225 C CB A ARG U 325 ? 0.6997 0.6217 0.5826 0.0907 -0.0190 0.0047 343 ARG c CB +35226 C CB B ARG U 325 ? 0.6993 0.6209 0.5820 0.0907 -0.0191 0.0047 343 ARG c CB +35227 C CG A ARG U 325 ? 0.7479 0.6712 0.6307 0.0962 -0.0211 0.0040 343 ARG c CG +35228 C CG B ARG U 325 ? 0.7475 0.6704 0.6301 0.0963 -0.0211 0.0040 343 ARG c CG +35229 C CD A ARG U 325 ? 0.7699 0.7044 0.6617 0.0962 -0.0222 0.0035 343 ARG c CD +35230 C CD B ARG U 325 ? 0.7706 0.7045 0.6619 0.0964 -0.0223 0.0035 343 ARG c CD +35231 N NE A ARG U 325 ? 0.8476 0.7834 0.7393 0.1013 -0.0247 0.0029 343 ARG c NE +35232 N NE B ARG U 325 ? 0.8511 0.7862 0.7423 0.1016 -0.0247 0.0029 343 ARG c NE +35233 C CZ A ARG U 325 ? 0.8272 0.7674 0.7212 0.1064 -0.0246 0.0017 343 ARG c CZ +35234 C CZ B ARG U 325 ? 0.8274 0.7674 0.7212 0.1065 -0.0245 0.0017 343 ARG c CZ +35235 N NH1 A ARG U 325 ? 0.7156 0.6594 0.6121 0.1072 -0.0221 0.0009 343 ARG c NH1 +35236 N NH1 B ARG U 325 ? 0.7137 0.6579 0.6105 0.1070 -0.0220 0.0009 343 ARG c NH1 +35237 N NH2 A ARG U 325 ? 0.8089 0.7502 0.7028 0.1109 -0.0271 0.0012 343 ARG c NH2 +35238 N NH2 B ARG U 325 ? 0.8070 0.7478 0.7003 0.1112 -0.0270 0.0011 343 ARG c NH2 +35239 N N A SER U 326 ? 0.7462 0.6637 0.6254 0.0872 -0.0133 0.0044 344 SER c N +35240 N N B SER U 326 ? 0.7467 0.6642 0.6259 0.0872 -0.0133 0.0044 344 SER c N +35241 C CA A SER U 326 ? 0.6760 0.5965 0.5580 0.0832 -0.0111 0.0045 344 SER c CA +35242 C CA B SER U 326 ? 0.6749 0.5956 0.5570 0.0832 -0.0111 0.0045 344 SER c CA +35243 C C A SER U 326 ? 0.7437 0.6742 0.6344 0.0804 -0.0111 0.0047 344 SER c C +35244 C C B SER U 326 ? 0.7454 0.6761 0.6362 0.0805 -0.0111 0.0047 344 SER c C +35245 O O A SER U 326 ? 0.7063 0.6419 0.6011 0.0820 -0.0128 0.0045 344 SER c O +35246 O O B SER U 326 ? 0.7063 0.6424 0.6014 0.0823 -0.0127 0.0044 344 SER c O +35247 C CB A SER U 326 ? 0.6863 0.6083 0.5680 0.0859 -0.0088 0.0036 344 SER c CB +35248 C CB B SER U 326 ? 0.6855 0.6075 0.5673 0.0859 -0.0088 0.0036 344 SER c CB +35249 O OG A SER U 326 ? 0.7217 0.6545 0.6115 0.0876 -0.0079 0.0028 344 SER c OG +35250 O OG B SER U 326 ? 0.7226 0.6553 0.6123 0.0876 -0.0079 0.0028 344 SER c OG +35251 N N A PRO U 327 ? 0.7165 0.6499 0.6101 0.0761 -0.0094 0.0051 345 PRO c N +35252 N N B PRO U 327 ? 0.7175 0.6508 0.6110 0.0761 -0.0095 0.0051 345 PRO c N +35253 C CA A PRO U 327 ? 0.6640 0.6064 0.5656 0.0732 -0.0095 0.0053 345 PRO c CA +35254 C CA B PRO U 327 ? 0.6626 0.6050 0.5642 0.0732 -0.0095 0.0053 345 PRO c CA +35255 C C A PRO U 327 ? 0.6586 0.6110 0.5675 0.0761 -0.0089 0.0043 345 PRO c C +35256 C C B PRO U 327 ? 0.6577 0.6100 0.5665 0.0761 -0.0089 0.0043 345 PRO c C +35257 O O A PRO U 327 ? 0.7402 0.6998 0.6555 0.0745 -0.0096 0.0043 345 PRO c O +35258 O O B PRO U 327 ? 0.7434 0.7029 0.6586 0.0746 -0.0097 0.0043 345 PRO c O +35259 C CB A PRO U 327 ? 0.6803 0.6224 0.5822 0.0687 -0.0075 0.0059 345 PRO c CB +35260 C CB B PRO U 327 ? 0.6805 0.6228 0.5825 0.0688 -0.0074 0.0059 345 PRO c CB +35261 C CG A PRO U 327 ? 0.6787 0.6105 0.5724 0.0682 -0.0075 0.0063 345 PRO c CG +35262 C CG B PRO U 327 ? 0.6778 0.6096 0.5716 0.0681 -0.0075 0.0063 345 PRO c CG +35263 C CD A PRO U 327 ? 0.7100 0.6378 0.5992 0.0734 -0.0078 0.0055 345 PRO c CD +35264 C CD B PRO U 327 ? 0.7125 0.6398 0.6015 0.0732 -0.0080 0.0056 345 PRO c CD +35265 N N . THR U 328 ? 0.7247 0.6779 0.6328 0.0802 -0.0077 0.0034 346 THR c N +35266 C CA . THR U 328 ? 0.6985 0.6614 0.6136 0.0833 -0.0072 0.0022 346 THR c CA +35267 C C . THR U 328 ? 0.7855 0.7472 0.6987 0.0888 -0.0093 0.0015 346 THR c C +35268 O O . THR U 328 ? 0.7863 0.7555 0.7047 0.0922 -0.0090 0.0004 346 THR c O +35269 C CB . THR U 328 ? 0.7334 0.7002 0.6506 0.0840 -0.0040 0.0016 346 THR c CB +35270 O OG1 . THR U 328 ? 0.7296 0.6880 0.6390 0.0859 -0.0030 0.0015 346 THR c OG1 +35271 C CG2 . THR U 328 ? 0.7054 0.6760 0.6264 0.0788 -0.0021 0.0022 346 THR c CG2 +35272 N N . GLY U 329 ? 0.7204 0.6729 0.6265 0.0898 -0.0113 0.0021 347 GLY c N +35273 C CA . GLY U 329 ? 0.7363 0.6877 0.6409 0.0942 -0.0139 0.0017 347 GLY c CA +35274 C C . GLY U 329 ? 0.7587 0.7021 0.6557 0.0989 -0.0141 0.0013 347 GLY c C +35275 O O . GLY U 329 ? 0.7869 0.7268 0.6808 0.1022 -0.0164 0.0012 347 GLY c O +35276 N N . GLU U 330 ? 0.7449 0.6850 0.6387 0.0994 -0.0117 0.0010 348 GLU c N +35277 C CA . GLU U 330 ? 0.7985 0.7310 0.6851 0.1041 -0.0117 0.0005 348 GLU c CA +35278 C C . GLU U 330 ? 0.8529 0.7738 0.7307 0.1037 -0.0137 0.0014 348 GLU c C +35279 O O . GLU U 330 ? 0.8006 0.7175 0.6765 0.0989 -0.0139 0.0024 348 GLU c O +35280 C CB . GLU U 330 ? 0.7578 0.6885 0.6422 0.1039 -0.0087 0.0001 348 GLU c CB +35281 C CG . GLU U 330 ? 0.7190 0.6606 0.6112 0.1050 -0.0063 -0.0010 348 GLU c CG +35282 C CD . GLU U 330 ? 0.8335 0.7830 0.7330 0.0998 -0.0051 -0.0005 348 GLU c CD +35283 O OE1 . GLU U 330 ? 0.7628 0.7091 0.6610 0.0951 -0.0058 0.0006 348 GLU c OE1 +35284 O OE2 . GLU U 330 ? 0.7129 0.6720 0.6196 0.1004 -0.0034 -0.0013 348 GLU c OE2 +35285 N N . ILE U 331 ? 0.7791 0.6946 0.6517 0.1088 -0.0151 0.0010 349 ILE c N +35286 C CA . ILE U 331 ? 0.7155 0.6193 0.5792 0.1087 -0.0167 0.0018 349 ILE c CA +35287 C C . ILE U 331 ? 0.8371 0.7319 0.6938 0.1073 -0.0149 0.0019 349 ILE c C +35288 O O . ILE U 331 ? 0.7382 0.6323 0.5932 0.1102 -0.0133 0.0010 349 ILE c O +35289 C CB . ILE U 331 ? 0.8027 0.7034 0.6629 0.1148 -0.0188 0.0013 349 ILE c CB +35290 C CG1 . ILE U 331 ? 0.8067 0.7170 0.6742 0.1166 -0.0207 0.0010 349 ILE c CG1 +35291 C CG2 . ILE U 331 ? 0.6770 0.5650 0.5275 0.1145 -0.0203 0.0023 349 ILE c CG2 +35292 C CD1 . ILE U 331 ? 0.8455 0.7569 0.7152 0.1121 -0.0223 0.0020 349 ILE c CD1 +35293 N N A ILE U 332 ? 0.7810 0.6688 0.6334 0.1027 -0.0152 0.0030 350 ILE c N +35294 N N B ILE U 332 ? 0.7824 0.6702 0.6347 0.1027 -0.0152 0.0030 350 ILE c N +35295 C CA A ILE U 332 ? 0.7432 0.6233 0.5897 0.1003 -0.0136 0.0031 350 ILE c CA +35296 C CA B ILE U 332 ? 0.7426 0.6227 0.5892 0.1003 -0.0136 0.0031 350 ILE c CA +35297 C C A ILE U 332 ? 0.7570 0.6260 0.5957 0.0985 -0.0150 0.0040 350 ILE c C +35298 C C B ILE U 332 ? 0.7568 0.6257 0.5954 0.0984 -0.0150 0.0040 350 ILE c C +35299 O O A ILE U 332 ? 0.7825 0.6509 0.6214 0.0978 -0.0169 0.0048 350 ILE c O +35300 O O B ILE U 332 ? 0.7851 0.6530 0.6234 0.0981 -0.0169 0.0047 350 ILE c O +35301 C CB A ILE U 332 ? 0.8207 0.7063 0.6723 0.0951 -0.0118 0.0034 350 ILE c CB +35302 C CB B ILE U 332 ? 0.8234 0.7089 0.6749 0.0951 -0.0118 0.0034 350 ILE c CB +35303 C CG1 A ILE U 332 ? 0.6773 0.5647 0.5319 0.0903 -0.0131 0.0045 350 ILE c CG1 +35304 C CG1 B ILE U 332 ? 0.6756 0.5628 0.5300 0.0903 -0.0131 0.0045 350 ILE c CG1 +35305 C CG2 A ILE U 332 ? 0.6730 0.5697 0.5325 0.0967 -0.0102 0.0026 350 ILE c CG2 +35306 C CG2 B ILE U 332 ? 0.6716 0.5682 0.5310 0.0966 -0.0102 0.0026 350 ILE c CG2 +35307 C CD1 A ILE U 332 ? 0.7415 0.6314 0.5989 0.0848 -0.0116 0.0050 350 ILE c CD1 +35308 C CD1 B ILE U 332 ? 0.7417 0.6319 0.5994 0.0848 -0.0116 0.0050 350 ILE c CD1 +35309 N N A PHE U 333 ? 0.7435 0.6037 0.5753 0.0976 -0.0140 0.0039 351 PHE c N +35310 N N B PHE U 333 ? 0.7427 0.6031 0.5747 0.0972 -0.0139 0.0040 351 PHE c N +35311 C CA A PHE U 333 ? 0.7740 0.6236 0.5985 0.0950 -0.0149 0.0047 351 PHE c CA +35312 C CA B PHE U 333 ? 0.7739 0.6235 0.5984 0.0948 -0.0149 0.0047 351 PHE c CA +35313 C C A PHE U 333 ? 0.8286 0.6804 0.6564 0.0890 -0.0153 0.0057 351 PHE c C +35314 C C B PHE U 333 ? 0.8304 0.6820 0.6581 0.0889 -0.0153 0.0058 351 PHE c C +35315 O O A PHE U 333 ? 0.7754 0.6342 0.6090 0.0859 -0.0141 0.0057 351 PHE c O +35316 O O B PHE U 333 ? 0.7758 0.6344 0.6094 0.0857 -0.0142 0.0058 351 PHE c O +35317 C CB A PHE U 333 ? 0.7567 0.5975 0.5741 0.0946 -0.0136 0.0043 351 PHE c CB +35318 C CB B PHE U 333 ? 0.7550 0.5958 0.5724 0.0944 -0.0135 0.0043 351 PHE c CB +35319 C CG A PHE U 333 ? 0.8673 0.7028 0.6791 0.1004 -0.0135 0.0034 351 PHE c CG +35320 C CG B PHE U 333 ? 0.8683 0.7035 0.6800 0.1002 -0.0135 0.0034 351 PHE c CG +35321 C CD1 A PHE U 333 ? 0.8703 0.7015 0.6785 0.1043 -0.0153 0.0035 351 PHE c CD1 +35322 C CD1 B PHE U 333 ? 0.8706 0.7012 0.6783 0.1039 -0.0153 0.0036 351 PHE c CD1 +35323 C CD2 A PHE U 333 ? 0.9005 0.7350 0.7105 0.1020 -0.0117 0.0024 351 PHE c CD2 +35324 C CD2 B PHE U 333 ? 0.9022 0.7366 0.7122 0.1021 -0.0117 0.0024 351 PHE c CD2 +35325 C CE1 A PHE U 333 ? 0.9159 0.7419 0.7187 0.1099 -0.0152 0.0027 351 PHE c CE1 +35326 C CE1 B PHE U 333 ? 0.9155 0.7407 0.7177 0.1093 -0.0153 0.0028 351 PHE c CE1 +35327 C CE2 A PHE U 333 ? 0.9255 0.7549 0.7302 0.1075 -0.0116 0.0015 351 PHE c CE2 +35328 C CE2 B PHE U 333 ? 0.9276 0.7568 0.7322 0.1075 -0.0117 0.0015 351 PHE c CE2 +35329 C CZ A PHE U 333 ? 0.9176 0.7429 0.7188 0.1115 -0.0134 0.0017 351 PHE c CZ +35330 C CZ B PHE U 333 ? 0.9194 0.7440 0.7202 0.1112 -0.0135 0.0018 351 PHE c CZ +35331 N N A GLY U 334 ? 0.7836 0.6292 0.6075 0.0874 -0.0168 0.0066 352 GLY c N +35332 N N B GLY U 334 ? 0.7853 0.6302 0.6086 0.0875 -0.0168 0.0066 352 GLY c N +35333 C CA A GLY U 334 ? 0.7249 0.5718 0.5513 0.0821 -0.0172 0.0076 352 GLY c CA +35334 C CA B GLY U 334 ? 0.7263 0.5723 0.5519 0.0823 -0.0173 0.0076 352 GLY c CA +35335 C C A GLY U 334 ? 0.7691 0.6079 0.5902 0.0778 -0.0165 0.0079 352 GLY c C +35336 C C B GLY U 334 ? 0.7708 0.6095 0.5918 0.0778 -0.0165 0.0079 352 GLY c C +35337 O O A GLY U 334 ? 0.7498 0.5819 0.5653 0.0788 -0.0156 0.0073 352 GLY c O +35338 O O B GLY U 334 ? 0.7486 0.5814 0.5646 0.0784 -0.0155 0.0073 352 GLY c O +35339 N N A GLY U 335 ? 0.7580 0.5974 0.5809 0.0731 -0.0169 0.0087 353 GLY c N +35340 N N B GLY U 335 ? 0.7577 0.5967 0.5803 0.0731 -0.0170 0.0087 353 GLY c N +35341 C CA A GLY U 335 ? 0.7726 0.6068 0.5926 0.0684 -0.0162 0.0089 353 GLY c CA +35342 C CA B GLY U 335 ? 0.7704 0.6047 0.5905 0.0683 -0.0162 0.0089 353 GLY c CA +35343 C C A GLY U 335 ? 0.8033 0.6436 0.6280 0.0661 -0.0147 0.0085 353 GLY c C +35344 C C B GLY U 335 ? 0.8065 0.6468 0.6312 0.0661 -0.0147 0.0085 353 GLY c C +35345 O O A GLY U 335 ? 0.7295 0.5786 0.5604 0.0673 -0.0141 0.0082 353 GLY c O +35346 O O B GLY U 335 ? 0.7306 0.5795 0.5613 0.0676 -0.0142 0.0082 353 GLY c O +35347 N N A GLU U 336 ? 0.7359 0.5712 0.5574 0.0625 -0.0140 0.0084 354 GLU c N +35348 N N B GLU U 336 ? 0.7356 0.5709 0.5572 0.0625 -0.0140 0.0084 354 GLU c N +35349 C CA A GLU U 336 ? 0.7307 0.5710 0.5560 0.0600 -0.0127 0.0081 354 GLU c CA +35350 C CA B GLU U 336 ? 0.7302 0.5706 0.5557 0.0601 -0.0128 0.0081 354 GLU c CA +35351 C C A GLU U 336 ? 0.7754 0.6193 0.6019 0.0637 -0.0115 0.0072 354 GLU c C +35352 C C B GLU U 336 ? 0.7771 0.6205 0.6032 0.0636 -0.0115 0.0072 354 GLU c C +35353 O O A GLU U 336 ? 0.7859 0.6372 0.6179 0.0626 -0.0104 0.0071 354 GLU c O +35354 O O B GLU U 336 ? 0.7884 0.6388 0.6197 0.0626 -0.0104 0.0070 354 GLU c O +35355 C CB A GLU U 336 ? 0.7482 0.5816 0.5690 0.0563 -0.0124 0.0079 354 GLU c CB +35356 C CB B GLU U 336 ? 0.7432 0.5772 0.5646 0.0560 -0.0125 0.0080 354 GLU c CB +35357 C CG A GLU U 336 ? 0.7827 0.6180 0.6065 0.0514 -0.0129 0.0087 354 GLU c CG +35358 C CG B GLU U 336 ? 0.7390 0.5782 0.5656 0.0513 -0.0125 0.0086 354 GLU c CG +35359 C CD A GLU U 336 ? 0.7598 0.5932 0.5826 0.0475 -0.0123 0.0084 354 GLU c CD +35360 C CD B GLU U 336 ? 0.7450 0.5801 0.5691 0.0473 -0.0121 0.0084 354 GLU c CD +35361 O OE1 A GLU U 336 ? 0.7804 0.6072 0.5977 0.0481 -0.0118 0.0076 354 GLU c OE1 +35362 O OE1 B GLU U 336 ? 0.7821 0.6098 0.6000 0.0481 -0.0118 0.0077 354 GLU c OE1 +35363 O OE2 A GLU U 336 ? 0.7707 0.6088 0.5981 0.0439 -0.0123 0.0088 354 GLU c OE2 +35364 O OE2 B GLU U 336 ? 0.7739 0.6130 0.6021 0.0435 -0.0122 0.0088 354 GLU c OE2 +35365 N N A THR U 337 ? 0.7226 0.5617 0.5443 0.0681 -0.0115 0.0066 355 THR c N +35366 N N B THR U 337 ? 0.7224 0.5607 0.5436 0.0680 -0.0115 0.0066 355 THR c N +35367 C CA A THR U 337 ? 0.7455 0.5875 0.5678 0.0719 -0.0102 0.0056 355 THR c CA +35368 C CA B THR U 337 ? 0.7465 0.5879 0.5684 0.0717 -0.0102 0.0057 355 THR c CA +35369 C C A THR U 337 ? 0.6916 0.5444 0.5217 0.0741 -0.0099 0.0056 355 THR c C +35370 C C B THR U 337 ? 0.6877 0.5401 0.5176 0.0738 -0.0099 0.0057 355 THR c C +35371 O O A THR U 337 ? 0.7940 0.6503 0.6255 0.0774 -0.0087 0.0049 355 THR c O +35372 O O B THR U 337 ? 0.7927 0.6488 0.6241 0.0767 -0.0086 0.0049 355 THR c O +35373 C CB A THR U 337 ? 0.8397 0.6734 0.6546 0.0763 -0.0103 0.0050 355 THR c CB +35374 C CB B THR U 337 ? 0.8415 0.6748 0.6562 0.0762 -0.0103 0.0050 355 THR c CB +35375 O OG1 A THR U 337 ? 0.7765 0.6110 0.5905 0.0789 -0.0087 0.0039 355 THR c OG1 +35376 O OG1 B THR U 337 ? 0.7773 0.6114 0.5910 0.0787 -0.0087 0.0039 355 THR c OG1 +35377 C CG2 A THR U 337 ? 0.7887 0.6234 0.6040 0.0807 -0.0116 0.0051 355 THR c CG2 +35378 C CG2 B THR U 337 ? 0.7896 0.6243 0.6049 0.0806 -0.0115 0.0051 355 THR c CG2 +35379 N N A MET U 338 ? 0.7137 0.5719 0.5490 0.0723 -0.0110 0.0064 356 MET c N +35380 N N B MET U 338 ? 0.7132 0.5710 0.5483 0.0721 -0.0110 0.0064 356 MET c N +35381 C CA A MET U 338 ? 0.7485 0.6177 0.5921 0.0733 -0.0106 0.0064 356 MET c CA +35382 C CA B MET U 338 ? 0.7487 0.6175 0.5920 0.0732 -0.0106 0.0064 356 MET c CA +35383 C C A MET U 338 ? 0.7920 0.6667 0.6394 0.0715 -0.0086 0.0060 356 MET c C +35384 C C B MET U 338 ? 0.7939 0.6684 0.6411 0.0715 -0.0086 0.0060 356 MET c C +35385 O O A MET U 338 ? 0.7476 0.6305 0.6006 0.0734 -0.0077 0.0056 356 MET c O +35386 O O B MET U 338 ? 0.7486 0.6313 0.6015 0.0734 -0.0077 0.0056 356 MET c O +35387 C CB A MET U 338 ? 0.7153 0.5886 0.5634 0.0706 -0.0121 0.0073 356 MET c CB +35388 C CB B MET U 338 ? 0.7166 0.5898 0.5646 0.0706 -0.0120 0.0072 356 MET c CB +35389 C CG A MET U 338 ? 0.7241 0.5980 0.5739 0.0649 -0.0118 0.0080 356 MET c CG +35390 C CG B MET U 338 ? 0.7251 0.5987 0.5747 0.0649 -0.0117 0.0079 356 MET c CG +35391 S SD A MET U 338 ? 0.7331 0.6125 0.5887 0.0617 -0.0132 0.0089 356 MET c SD +35392 S SD B MET U 338 ? 0.7345 0.6137 0.5899 0.0618 -0.0132 0.0089 356 MET c SD +35393 C CE A MET U 338 ? 0.6863 0.5560 0.5350 0.0618 -0.0150 0.0095 356 MET c CE +35394 C CE B MET U 338 ? 0.6860 0.5552 0.5342 0.0621 -0.0150 0.0095 356 MET c CE +35395 N N A ARG U 339 ? 0.7294 0.6000 0.5740 0.0679 -0.0080 0.0062 357 ARG c N +35396 N N B ARG U 339 ? 0.7288 0.5993 0.5733 0.0679 -0.0079 0.0061 357 ARG c N +35397 C CA A ARG U 339 ? 0.7820 0.6570 0.6294 0.0664 -0.0061 0.0059 357 ARG c CA +35398 C CA B ARG U 339 ? 0.7829 0.6580 0.6302 0.0665 -0.0060 0.0058 357 ARG c CA +35399 C C A ARG U 339 ? 0.8140 0.6884 0.6591 0.0703 -0.0045 0.0049 357 ARG c C +35400 C C B ARG U 339 ? 0.8161 0.6903 0.6609 0.0705 -0.0044 0.0048 357 ARG c C +35401 O O A ARG U 339 ? 0.7830 0.6629 0.6314 0.0702 -0.0027 0.0046 357 ARG c O +35402 O O B ARG U 339 ? 0.7837 0.6635 0.6320 0.0705 -0.0026 0.0045 357 ARG c O +35403 C CB A ARG U 339 ? 0.6947 0.5652 0.5392 0.0618 -0.0059 0.0062 357 ARG c CB +35404 C CB B ARG U 339 ? 0.6918 0.5623 0.5363 0.0619 -0.0058 0.0062 357 ARG c CB +35405 C CG A ARG U 339 ? 0.7056 0.5659 0.5418 0.0624 -0.0060 0.0056 357 ARG c CG +35406 C CG B ARG U 339 ? 0.7055 0.5656 0.5416 0.0623 -0.0061 0.0057 357 ARG c CG +35407 C CD A ARG U 339 ? 0.7482 0.6047 0.5821 0.0577 -0.0060 0.0058 357 ARG c CD +35408 C CD B ARG U 339 ? 0.7490 0.6057 0.5831 0.0576 -0.0060 0.0058 357 ARG c CD +35409 N NE A ARG U 339 ? 0.7348 0.5917 0.5709 0.0539 -0.0073 0.0067 357 ARG c NE +35410 N NE B ARG U 339 ? 0.7350 0.5920 0.5712 0.0538 -0.0073 0.0067 357 ARG c NE +35411 C CZ A ARG U 339 ? 0.7808 0.6331 0.6143 0.0500 -0.0079 0.0069 357 ARG c CZ +35412 C CZ B ARG U 339 ? 0.7834 0.6355 0.6167 0.0500 -0.0079 0.0069 357 ARG c CZ +35413 N NH1 A ARG U 339 ? 0.7505 0.5970 0.5789 0.0493 -0.0074 0.0062 357 ARG c NH1 +35414 N NH1 B ARG U 339 ? 0.7508 0.5972 0.5791 0.0493 -0.0074 0.0062 357 ARG c NH1 +35415 N NH2 A ARG U 339 ? 0.6736 0.5268 0.5094 0.0469 -0.0090 0.0077 357 ARG c NH2 +35416 N NH2 B ARG U 339 ? 0.6719 0.5249 0.5076 0.0468 -0.0090 0.0077 357 ARG c NH2 +35417 N N A PHE U 340 ? 0.8079 0.6756 0.6471 0.0740 -0.0050 0.0043 358 PHE c N +35418 N N B PHE U 340 ? 0.8102 0.6775 0.6490 0.0740 -0.0050 0.0043 358 PHE c N +35419 C CA A PHE U 340 ? 0.7857 0.6507 0.6211 0.0776 -0.0036 0.0033 358 PHE c CA +35420 C CA B PHE U 340 ? 0.7857 0.6506 0.6209 0.0777 -0.0035 0.0032 358 PHE c CA +35421 C C A PHE U 340 ? 0.7856 0.6553 0.6236 0.0830 -0.0033 0.0026 358 PHE c C +35422 C C B PHE U 340 ? 0.7852 0.6547 0.6230 0.0831 -0.0034 0.0026 358 PHE c C +35423 O O A PHE U 340 ? 0.8212 0.6872 0.6550 0.0868 -0.0025 0.0017 358 PHE c O +35424 O O B PHE U 340 ? 0.8242 0.6899 0.6577 0.0870 -0.0026 0.0017 358 PHE c O +35425 C CB A PHE U 340 ? 0.7314 0.5848 0.5577 0.0779 -0.0042 0.0029 358 PHE c CB +35426 C CB B PHE U 340 ? 0.7304 0.5836 0.5565 0.0780 -0.0041 0.0029 358 PHE c CB +35427 C CG A PHE U 340 ? 0.7952 0.6441 0.6185 0.0733 -0.0039 0.0031 358 PHE c CG +35428 C CG B PHE U 340 ? 0.7968 0.6456 0.6200 0.0733 -0.0038 0.0031 358 PHE c CG +35429 C CD1 A PHE U 340 ? 0.7518 0.6048 0.5774 0.0716 -0.0023 0.0029 358 PHE c CD1 +35430 C CD1 B PHE U 340 ? 0.7519 0.6049 0.5775 0.0715 -0.0022 0.0028 358 PHE c CD1 +35431 C CD2 A PHE U 340 ? 0.7492 0.5898 0.5674 0.0707 -0.0053 0.0034 358 PHE c CD2 +35432 C CD2 B PHE U 340 ? 0.7501 0.5907 0.5682 0.0708 -0.0052 0.0034 358 PHE c CD2 +35433 C CE1 A PHE U 340 ? 0.7273 0.5763 0.5502 0.0675 -0.0022 0.0029 358 PHE c CE1 +35434 C CE1 B PHE U 340 ? 0.7265 0.5755 0.5494 0.0675 -0.0022 0.0029 358 PHE c CE1 +35435 C CE2 A PHE U 340 ? 0.7778 0.6148 0.5936 0.0665 -0.0052 0.0034 358 PHE c CE2 +35436 C CE2 B PHE U 340 ? 0.7785 0.6154 0.5942 0.0665 -0.0051 0.0034 358 PHE c CE2 +35437 C CZ A PHE U 340 ? 0.7130 0.5540 0.5310 0.0651 -0.0037 0.0032 358 PHE c CZ +35438 C CZ B PHE U 340 ? 0.7123 0.5534 0.5304 0.0650 -0.0037 0.0031 358 PHE c CZ +35439 N N A TRP U 341 ? 0.7858 0.6636 0.6306 0.0834 -0.0040 0.0030 359 TRP c N +35440 N N B TRP U 341 ? 0.7877 0.6653 0.6323 0.0834 -0.0040 0.0030 359 TRP c N +35441 C CA A TRP U 341 ? 0.7962 0.6782 0.6433 0.0887 -0.0042 0.0023 359 TRP c CA +35442 C CA B TRP U 341 ? 0.7978 0.6797 0.6449 0.0886 -0.0042 0.0023 359 TRP c CA +35443 C C A TRP U 341 ? 0.8195 0.7075 0.6697 0.0913 -0.0018 0.0014 359 TRP c C +35444 C C B TRP U 341 ? 0.8217 0.7095 0.6718 0.0912 -0.0018 0.0014 359 TRP c C +35445 O O A TRP U 341 ? 0.7864 0.6769 0.6376 0.0962 -0.0017 0.0006 359 TRP c O +35446 O O B TRP U 341 ? 0.7869 0.6773 0.6380 0.0961 -0.0017 0.0006 359 TRP c O +35447 C CB A TRP U 341 ? 0.6867 0.5761 0.5406 0.0884 -0.0057 0.0028 359 TRP c CB +35448 C CB B TRP U 341 ? 0.6851 0.5745 0.5390 0.0882 -0.0057 0.0029 359 TRP c CB +35449 C CG A TRP U 341 ? 0.6905 0.5905 0.5530 0.0857 -0.0045 0.0030 359 TRP c CG +35450 C CG B TRP U 341 ? 0.6895 0.5894 0.5520 0.0854 -0.0045 0.0031 359 TRP c CG +35451 C CD1 A TRP U 341 ? 0.6919 0.5935 0.5567 0.0805 -0.0042 0.0038 359 TRP c CD1 +35452 C CD1 B TRP U 341 ? 0.6916 0.5929 0.5563 0.0802 -0.0042 0.0039 359 TRP c CD1 +35453 C CD2 A TRP U 341 ? 0.6751 0.5854 0.5450 0.0881 -0.0035 0.0024 359 TRP c CD2 +35454 C CD2 B TRP U 341 ? 0.6730 0.5832 0.5428 0.0878 -0.0035 0.0024 359 TRP c CD2 +35455 N NE1 A TRP U 341 ? 0.7216 0.6334 0.5944 0.0794 -0.0030 0.0038 359 TRP c NE1 +35456 N NE1 B TRP U 341 ? 0.7221 0.6336 0.5948 0.0791 -0.0031 0.0038 359 TRP c NE1 +35457 C CE2 A TRP U 341 ? 0.6879 0.6053 0.5641 0.0838 -0.0026 0.0029 359 TRP c CE2 +35458 C CE2 B TRP U 341 ? 0.6877 0.6049 0.5638 0.0835 -0.0026 0.0029 359 TRP c CE2 +35459 C CE3 A TRP U 341 ? 0.7650 0.6793 0.6368 0.0934 -0.0034 0.0014 359 TRP c CE3 +35460 C CE3 B TRP U 341 ? 0.7662 0.6803 0.6379 0.0930 -0.0033 0.0014 359 TRP c CE3 +35461 C CZ2 A TRP U 341 ? 0.6958 0.6240 0.5801 0.0845 -0.0013 0.0024 359 TRP c CZ2 +35462 C CZ2 B TRP U 341 ? 0.6958 0.6236 0.5799 0.0842 -0.0014 0.0025 359 TRP c CZ2 +35463 C CZ3 A TRP U 341 ? 0.6890 0.6146 0.5694 0.0941 -0.0022 0.0008 359 TRP c CZ3 +35464 C CZ3 B TRP U 341 ? 0.6881 0.6134 0.5683 0.0937 -0.0021 0.0009 359 TRP c CZ3 +35465 C CH2 A TRP U 341 ? 0.7469 0.6791 0.6334 0.0895 -0.0012 0.0014 359 TRP c CH2 +35466 C CH2 B TRP U 341 ? 0.7481 0.6801 0.6344 0.0892 -0.0011 0.0014 359 TRP c CH2 +35467 N N A ASP U 342 ? 0.7276 0.6180 0.5794 0.0884 0.0001 0.0014 360 ASP c N +35468 N N B ASP U 342 ? 0.7261 0.6162 0.5777 0.0882 0.0001 0.0014 360 ASP c N +35469 C CA A ASP U 342 ? 0.7633 0.6585 0.6171 0.0909 0.0026 0.0005 360 ASP c CA +35470 C CA B ASP U 342 ? 0.7636 0.6584 0.6171 0.0907 0.0026 0.0005 360 ASP c CA +35471 C C A ASP U 342 ? 0.8196 0.7068 0.6657 0.0945 0.0034 -0.0005 360 ASP c C +35472 C C B ASP U 342 ? 0.8209 0.7076 0.6666 0.0944 0.0033 -0.0004 360 ASP c C +35473 O O A ASP U 342 ? 0.7770 0.6673 0.6239 0.0974 0.0055 -0.0014 360 ASP c O +35474 O O B ASP U 342 ? 0.7766 0.6666 0.6233 0.0974 0.0053 -0.0013 360 ASP c O +35475 C CB A ASP U 342 ? 0.7245 0.6240 0.5816 0.0868 0.0045 0.0008 360 ASP c CB +35476 C CB B ASP U 342 ? 0.7223 0.6210 0.5788 0.0865 0.0045 0.0009 360 ASP c CB +35477 C CG A ASP U 342 ? 0.7944 0.7010 0.6586 0.0830 0.0039 0.0017 360 ASP c CG +35478 C CG B ASP U 342 ? 0.7954 0.7016 0.6593 0.0828 0.0039 0.0018 360 ASP c CG +35479 O OD1 A ASP U 342 ? 0.8286 0.7438 0.6996 0.0845 0.0040 0.0016 360 ASP c OD1 +35480 O OD1 B ASP U 342 ? 0.8342 0.7485 0.7046 0.0845 0.0038 0.0016 360 ASP c OD1 +35481 O OD2 A ASP U 342 ? 0.8458 0.7494 0.7087 0.0785 0.0032 0.0026 360 ASP c OD2 +35482 O OD2 B ASP U 342 ? 0.8542 0.7580 0.7172 0.0782 0.0034 0.0026 360 ASP c OD2 +35483 N N A PHE U 343 ? 0.7425 0.6192 0.5809 0.0942 0.0018 -0.0003 361 PHE c N +35484 N N B PHE U 343 ? 0.7398 0.6161 0.5780 0.0940 0.0018 -0.0003 361 PHE c N +35485 C CA A PHE U 343 ? 0.8550 0.7232 0.6855 0.0973 0.0024 -0.0012 361 PHE c CA +35486 C CA B PHE U 343 ? 0.8557 0.7236 0.6860 0.0972 0.0024 -0.0012 361 PHE c CA +35487 C C A PHE U 343 ? 0.8896 0.7597 0.7203 0.1036 0.0026 -0.0021 361 PHE c C +35488 C C B PHE U 343 ? 0.8918 0.7618 0.7225 0.1035 0.0026 -0.0021 361 PHE c C +35489 O O A PHE U 343 ? 0.8403 0.7134 0.6740 0.1058 0.0011 -0.0020 361 PHE c O +35490 O O B PHE U 343 ? 0.8401 0.7136 0.6741 0.1056 0.0011 -0.0019 361 PHE c O +35491 C CB A PHE U 343 ? 0.8447 0.7015 0.6673 0.0958 0.0005 -0.0008 361 PHE c CB +35492 C CB B PHE U 343 ? 0.8455 0.7019 0.6679 0.0958 0.0005 -0.0008 361 PHE c CB +35493 C CG A PHE U 343 ? 0.9214 0.7690 0.7357 0.0998 0.0007 -0.0018 361 PHE c CG +35494 C CG B PHE U 343 ? 0.9236 0.7710 0.7377 0.0997 0.0007 -0.0018 361 PHE c CG +35495 C CD1 A PHE U 343 ? 0.8835 0.7266 0.6930 0.0994 0.0023 -0.0025 361 PHE c CD1 +35496 C CD1 B PHE U 343 ? 0.8842 0.7271 0.6936 0.0993 0.0023 -0.0025 361 PHE c CD1 +35497 C CD2 A PHE U 343 ? 0.8646 0.7083 0.6758 0.1041 -0.0006 -0.0020 361 PHE c CD2 +35498 C CD2 B PHE U 343 ? 0.8649 0.7084 0.6760 0.1040 -0.0006 -0.0020 361 PHE c CD2 +35499 C CE1 A PHE U 343 ? 0.8540 0.6885 0.6558 0.1030 0.0026 -0.0035 361 PHE c CE1 +35500 C CE1 B PHE U 343 ? 0.8531 0.6876 0.6548 0.1030 0.0026 -0.0035 361 PHE c CE1 +35501 C CE2 A PHE U 343 ? 0.8633 0.6984 0.6667 0.1079 -0.0004 -0.0029 361 PHE c CE2 +35502 C CE2 B PHE U 343 ? 0.8632 0.6981 0.6665 0.1078 -0.0004 -0.0029 361 PHE c CE2 +35503 C CZ A PHE U 343 ? 0.9139 0.7444 0.7127 0.1073 0.0013 -0.0037 361 PHE c CZ +35504 C CZ B PHE U 343 ? 0.9145 0.7448 0.7131 0.1072 0.0013 -0.0037 361 PHE c CZ +35505 N N A ARG U 344 ? 0.8150 0.6829 0.6422 0.1067 0.0045 -0.0032 362 ARG c N +35506 N N B ARG U 344 ? 0.8144 0.6822 0.6416 0.1066 0.0045 -0.0032 362 ARG c N +35507 C CA A ARG U 344 ? 0.8835 0.7520 0.7099 0.1130 0.0049 -0.0043 362 ARG c CA +35508 C CA B ARG U 344 ? 0.8843 0.7527 0.7106 0.1129 0.0048 -0.0042 362 ARG c CA +35509 C C A ARG U 344 ? 0.9107 0.7684 0.7275 0.1152 0.0055 -0.0051 362 ARG c C +35510 C C B ARG U 344 ? 0.9117 0.7693 0.7284 0.1151 0.0054 -0.0051 362 ARG c C +35511 O O A ARG U 344 ? 0.9088 0.7636 0.7225 0.1131 0.0070 -0.0053 362 ARG c O +35512 O O B ARG U 344 ? 0.9101 0.7649 0.7238 0.1130 0.0070 -0.0053 362 ARG c O +35513 C CB A ARG U 344 ? 0.8107 0.6904 0.6445 0.1151 0.0073 -0.0050 362 ARG c CB +35514 C CB B ARG U 344 ? 0.8095 0.6893 0.6435 0.1150 0.0072 -0.0049 362 ARG c CB +35515 C CG A ARG U 344 ? 0.7892 0.6800 0.6328 0.1118 0.0074 -0.0042 362 ARG c CG +35516 C CG B ARG U 344 ? 0.7884 0.6792 0.6321 0.1118 0.0071 -0.0042 362 ARG c CG +35517 C CD A ARG U 344 ? 0.8736 0.7692 0.7220 0.1136 0.0051 -0.0040 362 ARG c CD +35518 C CD B ARG U 344 ? 0.8762 0.7713 0.7243 0.1140 0.0049 -0.0040 362 ARG c CD +35519 N NE A ARG U 344 ? 0.9241 0.8237 0.7744 0.1197 0.0055 -0.0051 362 ARG c NE +35520 N NE B ARG U 344 ? 0.9260 0.8256 0.7762 0.1201 0.0055 -0.0052 362 ARG c NE +35521 C CZ A ARG U 344 ? 0.8682 0.7789 0.7265 0.1214 0.0071 -0.0058 362 ARG c CZ +35522 C CZ B ARG U 344 ? 0.8684 0.7792 0.7267 0.1215 0.0071 -0.0058 362 ARG c CZ +35523 N NH1 A ARG U 344 ? 0.8426 0.7611 0.7074 0.1173 0.0087 -0.0054 362 ARG c NH1 +35524 N NH1 B ARG U 344 ? 0.8413 0.7597 0.7062 0.1172 0.0085 -0.0053 362 ARG c NH1 +35525 N NH2 A ARG U 344 ? 0.9321 0.8460 0.7919 0.1272 0.0072 -0.0069 362 ARG c NH2 +35526 N NH2 B ARG U 344 ? 0.9328 0.8472 0.7928 0.1272 0.0075 -0.0070 362 ARG c NH2 +35527 N N . GLY U 345 ? 0.9183 0.7696 0.7299 0.1195 0.0041 -0.0055 363 GLY c N +35528 C CA . GLY U 345 ? 0.8309 0.6716 0.6332 0.1220 0.0045 -0.0064 363 GLY c CA +35529 C C . GLY U 345 ? 0.9725 0.8110 0.7722 0.1287 0.0039 -0.0072 363 GLY c C +35530 O O . GLY U 345 ? 0.9388 0.7814 0.7424 0.1308 0.0023 -0.0069 363 GLY c O +35531 N N . PRO U 346 ? 0.9890 0.8208 0.7819 0.1323 0.0051 -0.0083 364 PRO c N +35532 C CA . PRO U 346 ? 0.8783 0.7084 0.6689 0.1392 0.0047 -0.0093 364 PRO c CA +35533 C C . PRO U 346 ? 0.9018 0.7241 0.6875 0.1407 0.0019 -0.0087 364 PRO c C +35534 O O . PRO U 346 ? 0.9249 0.7492 0.7116 0.1459 0.0010 -0.0090 364 PRO c O +35535 C CB . PRO U 346 ? 1.0163 0.8394 0.7996 0.1417 0.0067 -0.0105 364 PRO c CB +35536 C CG . PRO U 346 ? 1.0489 0.8665 0.8284 0.1358 0.0071 -0.0101 364 PRO c CG +35537 C CD . PRO U 346 ? 0.9381 0.7650 0.7261 0.1306 0.0070 -0.0090 364 PRO c CD +35538 N N A TRP U 347 ? 0.9145 0.7277 0.6946 0.1363 0.0006 -0.0078 365 TRP c N +35539 N N B TRP U 347 ? 0.9144 0.7276 0.6944 0.1363 0.0006 -0.0078 365 TRP c N +35540 C CA A TRP U 347 ? 0.8836 0.6892 0.6589 0.1373 -0.0019 -0.0071 365 TRP c CA +35541 C CA B TRP U 347 ? 0.8816 0.6872 0.6568 0.1373 -0.0020 -0.0071 365 TRP c CA +35542 C C A TRP U 347 ? 0.9746 0.7880 0.7571 0.1362 -0.0037 -0.0060 365 TRP c C +35543 C C B TRP U 347 ? 0.9756 0.7890 0.7581 0.1362 -0.0037 -0.0060 365 TRP c C +35544 O O A TRP U 347 ? 0.9655 0.7743 0.7449 0.1384 -0.0058 -0.0056 365 TRP c O +35545 O O B TRP U 347 ? 0.9663 0.7751 0.7457 0.1383 -0.0058 -0.0056 365 TRP c O +35546 C CB A TRP U 347 ? 0.9541 0.7479 0.7214 0.1327 -0.0027 -0.0066 365 TRP c CB +35547 C CB B TRP U 347 ? 0.9543 0.7479 0.7214 0.1327 -0.0027 -0.0066 365 TRP c CB +35548 C CG A TRP U 347 ? 1.0354 0.8327 0.8066 0.1257 -0.0023 -0.0057 365 TRP c CG +35549 C CG B TRP U 347 ? 1.0376 0.8346 0.8086 0.1257 -0.0024 -0.0057 365 TRP c CG +35550 C CD1 A TRP U 347 ? 0.9712 0.7698 0.7429 0.1226 -0.0005 -0.0062 365 TRP c CD1 +35551 C CD1 B TRP U 347 ? 0.9717 0.7697 0.7430 0.1225 -0.0006 -0.0062 365 TRP c CD1 +35552 C CD2 A TRP U 347 ? 0.9817 0.7815 0.7567 0.1211 -0.0039 -0.0044 365 TRP c CD2 +35553 C CD2 B TRP U 347 ? 0.9822 0.7818 0.7571 0.1211 -0.0039 -0.0044 365 TRP c CD2 +35554 N NE1 A TRP U 347 ? 0.9296 0.7313 0.7052 0.1164 -0.0010 -0.0051 365 TRP c NE1 +35555 N NE1 B TRP U 347 ? 0.9295 0.7306 0.7047 0.1164 -0.0010 -0.0051 365 TRP c NE1 +35556 C CE2 A TRP U 347 ? 0.9910 0.7937 0.7689 0.1154 -0.0030 -0.0041 365 TRP c CE2 +35557 C CE2 B TRP U 347 ? 0.9931 0.7954 0.7707 0.1154 -0.0030 -0.0041 365 TRP c CE2 +35558 C CE3 A TRP U 347 ? 0.9347 0.7346 0.7109 0.1214 -0.0060 -0.0034 365 TRP c CE3 +35559 C CE3 B TRP U 347 ? 0.9343 0.7343 0.7106 0.1215 -0.0060 -0.0034 365 TRP c CE3 +35560 C CZ2 A TRP U 347 ? 0.8789 0.6846 0.6608 0.1101 -0.0040 -0.0028 365 TRP c CZ2 +35561 C CZ2 B TRP U 347 ? 0.8788 0.6842 0.6605 0.1101 -0.0040 -0.0028 365 TRP c CZ2 +35562 C CZ3 A TRP U 347 ? 0.9630 0.7657 0.7431 0.1160 -0.0070 -0.0022 365 TRP c CZ3 +35563 C CZ3 B TRP U 347 ? 0.9644 0.7673 0.7446 0.1161 -0.0069 -0.0022 365 TRP c CZ3 +35564 C CH2 A TRP U 347 ? 0.9261 0.7317 0.7091 0.1104 -0.0059 -0.0019 365 TRP c CH2 +35565 C CH2 B TRP U 347 ? 0.9269 0.7325 0.7099 0.1105 -0.0059 -0.0019 365 TRP c CH2 +35566 N N . LEU U 348 ? 0.8723 0.6969 0.6639 0.1329 -0.0030 -0.0056 366 LEU c N +35567 C CA . LEU U 348 ? 0.8640 0.6958 0.6624 0.1311 -0.0047 -0.0046 366 LEU c CA +35568 C C . LEU U 348 ? 0.9855 0.8294 0.7925 0.1351 -0.0045 -0.0052 366 LEU c C +35569 O O . LEU U 348 ? 0.9200 0.7666 0.7296 0.1367 -0.0066 -0.0048 366 LEU c O +35570 C CB . LEU U 348 ? 0.8881 0.7235 0.6907 0.1240 -0.0042 -0.0037 366 LEU c CB +35571 C CG . LEU U 348 ? 0.9657 0.8075 0.7747 0.1212 -0.0060 -0.0025 366 LEU c CG +35572 C CD1 . LEU U 348 ? 0.7443 0.5782 0.5479 0.1225 -0.0085 -0.0019 366 LEU c CD1 +35573 C CD2 . LEU U 348 ? 0.8362 0.6802 0.6482 0.1143 -0.0054 -0.0017 366 LEU c CD2 +35574 N N . GLU U 349 ? 0.8800 0.7311 0.6913 0.1367 -0.0022 -0.0062 367 GLU c N +35575 C CA . GLU U 349 ? 0.9208 0.7844 0.7411 0.1400 -0.0016 -0.0069 367 GLU c CA +35576 C C . GLU U 349 ? 0.9006 0.7644 0.7204 0.1464 -0.0035 -0.0074 367 GLU c C +35577 O O . GLU U 349 ? 0.9922 0.8664 0.8202 0.1479 -0.0042 -0.0076 367 GLU c O +35578 C CB . GLU U 349 ? 0.8674 0.7361 0.6901 0.1414 0.0016 -0.0080 367 GLU c CB +35579 C CG . GLU U 349 ? 0.8560 0.7263 0.6803 0.1353 0.0035 -0.0075 367 GLU c CG +35580 C CD . GLU U 349 ? 1.0546 0.9303 0.8850 0.1296 0.0024 -0.0062 367 GLU c CD +35581 O OE1 . GLU U 349 ? 0.9063 0.7931 0.7456 0.1298 0.0024 -0.0062 367 GLU c OE1 +35582 O OE2 . GLU U 349 ? 0.9384 0.8072 0.7646 0.1250 0.0015 -0.0052 367 GLU c OE2 +35583 N N . PRO U 350 ? 0.9302 0.7830 0.7409 0.1503 -0.0044 -0.0077 368 PRO c N +35584 C CA . PRO U 350 ? 0.9072 0.7600 0.7173 0.1563 -0.0065 -0.0081 368 PRO c CA +35585 C C . PRO U 350 ? 0.9902 0.8456 0.8036 0.1548 -0.0093 -0.0070 368 PRO c C +35586 O O . PRO U 350 ? 0.8388 0.7001 0.6562 0.1591 -0.0108 -0.0074 368 PRO c O +35587 C CB . PRO U 350 ? 0.9037 0.7418 0.7019 0.1593 -0.0070 -0.0083 368 PRO c CB +35588 C CG . PRO U 350 ? 0.8944 0.7291 0.6893 0.1574 -0.0043 -0.0089 368 PRO c CG +35589 C CD . PRO U 350 ? 0.8376 0.6786 0.6385 0.1505 -0.0032 -0.0081 368 PRO c CD +35590 N N . LEU U 351 ? 0.9748 0.8264 0.7867 0.1487 -0.0100 -0.0057 369 LEU c N +35591 C CA . LEU U 351 ? 0.9276 0.7816 0.7425 0.1470 -0.0126 -0.0046 369 LEU c CA +35592 C C . LEU U 351 ? 0.8710 0.7390 0.6974 0.1442 -0.0123 -0.0045 369 LEU c C +35593 O O . LEU U 351 ? 0.9542 0.8253 0.7838 0.1425 -0.0143 -0.0037 369 LEU c O +35594 C CB . LEU U 351 ? 0.8617 0.7052 0.6699 0.1418 -0.0134 -0.0032 369 LEU c CB +35595 C CG . LEU U 351 ? 0.9522 0.7815 0.7489 0.1444 -0.0136 -0.0034 369 LEU c CG +35596 C CD1 . LEU U 351 ? 1.0090 0.8283 0.7993 0.1386 -0.0136 -0.0024 369 LEU c CD1 +35597 C CD2 . LEU U 351 ? 1.0004 0.8258 0.7933 0.1501 -0.0159 -0.0035 369 LEU c CD2 +35598 N N . ARG U 352 ? 0.9612 0.8375 0.7935 0.1437 -0.0098 -0.0053 370 ARG c N +35599 C CA . ARG U 352 ? 0.9728 0.8616 0.8156 0.1402 -0.0091 -0.0052 370 ARG c CA +35600 C C . ARG U 352 ? 0.9496 0.8496 0.8003 0.1450 -0.0097 -0.0062 370 ARG c C +35601 O O . ARG U 352 ? 1.1343 1.0348 0.9839 0.1506 -0.0091 -0.0074 370 ARG c O +35602 C CB . ARG U 352 ? 0.9919 0.8835 0.8367 0.1367 -0.0059 -0.0054 370 ARG c CB +35603 C CG . ARG U 352 ? 1.1213 1.0243 0.9759 0.1321 -0.0049 -0.0051 370 ARG c CG +35604 C CD . ARG U 352 ? 0.9903 0.8892 0.8431 0.1252 -0.0047 -0.0038 370 ARG c CD +35605 N NE . ARG U 352 ? 0.9071 0.7973 0.7527 0.1237 -0.0031 -0.0038 370 ARG c NE +35606 C CZ . ARG U 352 ? 0.9028 0.7863 0.7442 0.1186 -0.0033 -0.0028 370 ARG c CZ +35607 N NH1 . ARG U 352 ? 0.8913 0.7756 0.7349 0.1146 -0.0050 -0.0017 370 ARG c NH1 +35608 N NH2 . ARG U 352 ? 0.8539 0.7297 0.6888 0.1175 -0.0019 -0.0030 370 ARG c NH2 +35609 N N . GLY U 353 ? 1.0179 0.9267 0.8764 0.1427 -0.0110 -0.0058 371 GLY c N +35610 C CA . GLY U 353 ? 0.8049 0.7257 0.6722 0.1463 -0.0115 -0.0069 371 GLY c CA +35611 C C . GLY U 353 ? 0.9067 0.8394 0.7841 0.1417 -0.0100 -0.0069 371 GLY c C +35612 O O . GLY U 353 ? 1.0210 0.9522 0.8981 0.1363 -0.0083 -0.0061 371 GLY c O +35613 N N . PRO U 354 ? 1.0217 0.9662 0.9082 0.1438 -0.0106 -0.0078 372 PRO c N +35614 C CA . PRO U 354 ? 0.9079 0.8639 0.8043 0.1395 -0.0090 -0.0078 372 PRO c CA +35615 C C . PRO U 354 ? 0.8641 0.8187 0.7610 0.1327 -0.0098 -0.0063 372 PRO c C +35616 O O . PRO U 354 ? 1.0197 0.9795 0.9214 0.1282 -0.0077 -0.0061 372 PRO c O +35617 C CB . PRO U 354 ? 0.9911 0.9585 0.8960 0.1432 -0.0105 -0.0090 372 PRO c CB +35618 C CG . PRO U 354 ? 0.9477 0.9108 0.8478 0.1503 -0.0118 -0.0099 372 PRO c CG +35619 C CD . PRO U 354 ? 1.0376 0.9855 0.9258 0.1502 -0.0128 -0.0088 372 PRO c CD +35620 N N . ASN U 355 ? 0.9443 0.8920 0.8365 0.1321 -0.0127 -0.0054 373 ASN c N +35621 C CA . ASN U 355 ? 0.8620 0.8084 0.7548 0.1261 -0.0137 -0.0040 373 ASN c CA +35622 C C . ASN U 355 ? 0.7882 0.7224 0.6719 0.1228 -0.0132 -0.0028 373 ASN c C +35623 O O . ASN U 355 ? 0.8674 0.7985 0.7499 0.1185 -0.0145 -0.0016 373 ASN c O +35624 C CB . ASN U 355 ? 0.9669 0.9145 0.8609 0.1274 -0.0172 -0.0038 373 ASN c CB +35625 C CG . ASN U 355 ? 1.1310 1.0914 1.0347 0.1300 -0.0179 -0.0050 373 ASN c CG +35626 O OD1 . ASN U 355 ? 1.3170 1.2871 1.2287 0.1277 -0.0160 -0.0055 373 ASN c OD1 +35627 N ND2 . ASN U 355 ? 0.9660 0.9264 0.8688 0.1349 -0.0207 -0.0055 373 ASN c ND2 +35628 N N . GLY U 356 ? 0.8058 0.7331 0.6832 0.1248 -0.0116 -0.0031 374 GLY c N +35629 C CA . GLY U 356 ? 0.7971 0.7123 0.6655 0.1222 -0.0114 -0.0022 374 GLY c CA +35630 C C . GLY U 356 ? 0.8566 0.7614 0.7161 0.1267 -0.0131 -0.0023 374 GLY c C +35631 O O . GLY U 356 ? 0.9579 0.8643 0.8175 0.1325 -0.0137 -0.0033 374 GLY c O +35632 N N . LEU U 357 ? 0.8348 0.7286 0.6864 0.1240 -0.0137 -0.0013 375 LEU c N +35633 C CA . LEU U 357 ? 0.8561 0.7387 0.6985 0.1275 -0.0153 -0.0011 375 LEU c CA +35634 C C . LEU U 357 ? 0.8548 0.7402 0.6988 0.1319 -0.0179 -0.0013 375 LEU c C +35635 O O . LEU U 357 ? 0.8519 0.7425 0.7007 0.1298 -0.0195 -0.0007 375 LEU c O +35636 C CB . LEU U 357 ? 0.8511 0.7232 0.6865 0.1228 -0.0159 0.0001 375 LEU c CB +35637 C CG . LEU U 357 ? 0.9184 0.7864 0.7511 0.1187 -0.0136 0.0003 375 LEU c CG +35638 C CD1 . LEU U 357 ? 0.8366 0.6949 0.6630 0.1142 -0.0145 0.0014 375 LEU c CD1 +35639 C CD2 . LEU U 357 ? 0.9203 0.7836 0.7479 0.1226 -0.0120 -0.0008 375 LEU c CD2 +35640 N N . ASP U 358 ? 1.0556 0.9373 0.8954 0.1381 -0.0185 -0.0021 376 ASP c N +35641 C CA . ASP U 358 ? 0.8878 0.7723 0.7288 0.1433 -0.0210 -0.0026 376 ASP c CA +35642 C C . ASP U 358 ? 0.9968 0.8690 0.8283 0.1444 -0.0232 -0.0016 376 ASP c C +35643 O O . ASP U 358 ? 0.9603 0.8215 0.7828 0.1461 -0.0228 -0.0016 376 ASP c O +35644 C CB . ASP U 358 ? 1.0591 0.9474 0.9015 0.1499 -0.0202 -0.0041 376 ASP c CB +35645 C CG . ASP U 358 ? 1.0142 0.9088 0.8606 0.1552 -0.0227 -0.0048 376 ASP c CG +35646 O OD1 . ASP U 358 ? 1.0627 0.9499 0.9030 0.1576 -0.0253 -0.0042 376 ASP c OD1 +35647 O OD2 . ASP U 358 ? 1.2395 1.1465 1.0952 0.1567 -0.0222 -0.0059 376 ASP c OD2 +35648 N N . LEU U 359 ? 0.8823 0.7563 0.7156 0.1433 -0.0257 -0.0008 377 LEU c N +35649 C CA . LEU U 359 ? 0.9436 0.8062 0.7681 0.1436 -0.0277 0.0003 377 LEU c CA +35650 C C . LEU U 359 ? 0.9681 0.8241 0.7859 0.1508 -0.0290 -0.0003 377 LEU c C +35651 O O . LEU U 359 ? 0.9930 0.8362 0.8007 0.1514 -0.0296 0.0004 377 LEU c O +35652 C CB . LEU U 359 ? 0.9981 0.8652 0.8266 0.1413 -0.0300 0.0011 377 LEU c CB +35653 C CG . LEU U 359 ? 1.0938 0.9496 0.9138 0.1400 -0.0318 0.0025 377 LEU c CG +35654 C CD1 . LEU U 359 ? 1.0120 0.8583 0.8259 0.1347 -0.0299 0.0034 377 LEU c CD1 +35655 C CD2 . LEU U 359 ? 1.1012 0.9628 0.9262 0.1377 -0.0338 0.0031 377 LEU c CD2 +35656 N N . ASN U 360 ? 0.8965 0.7608 0.7195 0.1563 -0.0295 -0.0016 378 ASN c N +35657 C CA . ASN U 360 ? 1.1233 0.9815 0.9399 0.1635 -0.0307 -0.0023 378 ASN c CA +35658 C C . ASN U 360 ? 1.1076 0.9568 0.9170 0.1646 -0.0284 -0.0027 378 ASN c C +35659 O O . ASN U 360 ? 1.0124 0.8495 0.8118 0.1676 -0.0292 -0.0024 378 ASN c O +35660 C CB . ASN U 360 ? 1.0002 0.8703 0.8248 0.1691 -0.0317 -0.0038 378 ASN c CB +35661 C CG . ASN U 360 ? 1.2111 1.0872 1.0403 0.1694 -0.0347 -0.0034 378 ASN c CG +35662 O OD1 . ASN U 360 ? 1.1779 1.0458 1.0004 0.1703 -0.0371 -0.0025 378 ASN c OD1 +35663 N ND2 . ASN U 360 ? 1.1735 1.0640 1.0141 0.1686 -0.0347 -0.0043 378 ASN c ND2 +35664 N N . LYS U 361 ? 0.9321 0.7868 0.7461 0.1622 -0.0256 -0.0034 379 LYS c N +35665 C CA . LYS U 361 ? 0.8201 0.6663 0.6273 0.1629 -0.0234 -0.0038 379 LYS c CA +35666 C C . LYS U 361 ? 0.9398 0.7728 0.7378 0.1582 -0.0232 -0.0025 379 LYS c C +35667 O O . LYS U 361 ? 0.9606 0.7822 0.7493 0.1602 -0.0228 -0.0026 379 LYS c O +35668 C CB . LYS U 361 ? 0.8861 0.7413 0.7003 0.1609 -0.0204 -0.0047 379 LYS c CB +35669 C CG . LYS U 361 ? 0.9541 0.8216 0.7766 0.1658 -0.0201 -0.0062 379 LYS c CG +35670 C CD . LYS U 361 ? 0.9721 0.8475 0.8008 0.1637 -0.0168 -0.0070 379 LYS c CD +35671 C CE . LYS U 361 ? 1.2044 1.0932 1.0425 0.1680 -0.0164 -0.0084 379 LYS c CE +35672 N NZ . LYS U 361 ? 1.2736 1.1733 1.1208 0.1637 -0.0138 -0.0087 379 LYS c NZ +35673 N N . ILE U 362 ? 0.8843 0.7188 0.6849 0.1520 -0.0235 -0.0013 380 ILE c N +35674 C CA . ILE U 362 ? 0.9304 0.7530 0.7230 0.1474 -0.0236 -0.0001 380 ILE c CA +35675 C C . ILE U 362 ? 0.9873 0.7990 0.7709 0.1508 -0.0258 0.0006 380 ILE c C +35676 O O . ILE U 362 ? 0.9443 0.7433 0.7183 0.1500 -0.0255 0.0011 380 ILE c O +35677 C CB . ILE U 362 ? 0.9650 0.7928 0.7631 0.1405 -0.0237 0.0010 380 ILE c CB +35678 C CG1 . ILE U 362 ? 0.9843 0.8186 0.7882 0.1362 -0.0211 0.0006 380 ILE c CG1 +35679 C CG2 . ILE U 362 ? 0.8432 0.6595 0.6335 0.1367 -0.0245 0.0024 380 ILE c CG2 +35680 C CD1 . ILE U 362 ? 0.9106 0.7536 0.7225 0.1307 -0.0211 0.0013 380 ILE c CD1 +35681 N N . LYS U 363 ? 0.9551 0.7715 0.7415 0.1548 -0.0282 0.0006 381 LYS c N +35682 C CA . LYS U 363 ? 0.9874 0.7935 0.7651 0.1579 -0.0305 0.0013 381 LYS c CA +35683 C C . LYS U 363 ? 1.0193 0.8168 0.7890 0.1643 -0.0304 0.0005 381 LYS c C +35684 O O . LYS U 363 ? 0.9318 0.7164 0.6913 0.1654 -0.0313 0.0013 381 LYS c O +35685 C CB . LYS U 363 ? 0.9707 0.7845 0.7537 0.1604 -0.0331 0.0015 381 LYS c CB +35686 C CG . LYS U 363 ? 1.0145 0.8291 0.7992 0.1549 -0.0342 0.0028 381 LYS c CG +35687 C CD . LYS U 363 ? 1.0780 0.9024 0.8695 0.1576 -0.0367 0.0026 381 LYS c CD +35688 C CE . LYS U 363 ? 1.1173 0.9416 0.9096 0.1526 -0.0379 0.0039 381 LYS c CE +35689 N NZ . LYS U 363 ? 1.3132 1.1448 1.1100 0.1557 -0.0408 0.0038 381 LYS c NZ +35690 N N . ASN U 364 ? 0.9773 0.7815 0.7512 0.1686 -0.0293 -0.0010 382 ASN c N +35691 C CA . ASN U 364 ? 1.0270 0.8250 0.7946 0.1757 -0.0296 -0.0019 382 ASN c CA +35692 C C . ASN U 364 ? 1.0845 0.8785 0.8488 0.1761 -0.0269 -0.0029 382 ASN c C +35693 O O . ASN U 364 ? 1.1661 0.9490 0.9211 0.1799 -0.0269 -0.0031 382 ASN c O +35694 C CB . ASN U 364 ? 1.0351 0.8445 0.8100 0.1820 -0.0310 -0.0031 382 ASN c CB +35695 C CG . ASN U 364 ? 1.1214 0.9340 0.8985 0.1829 -0.0341 -0.0023 382 ASN c CG +35696 O OD1 . ASN U 364 ? 1.1135 0.9154 0.8821 0.1834 -0.0358 -0.0012 382 ASN c OD1 +35697 N ND2 . ASN U 364 ? 1.0024 0.8295 0.7906 0.1830 -0.0347 -0.0029 382 ASN c ND2 +35698 N N . ASP U 365 ? 0.9959 0.7982 0.7673 0.1723 -0.0246 -0.0034 383 ASP c N +35699 C CA . ASP U 365 ? 0.9480 0.7505 0.7188 0.1745 -0.0221 -0.0047 383 ASP c CA +35700 C C . ASP U 365 ? 1.0289 0.8237 0.7947 0.1691 -0.0199 -0.0045 383 ASP c C +35701 O O . ASP U 365 ? 1.0549 0.8515 0.8216 0.1697 -0.0176 -0.0056 383 ASP c O +35702 C CB . ASP U 365 ? 1.0128 0.8313 0.7955 0.1756 -0.0210 -0.0059 383 ASP c CB +35703 C CG . ASP U 365 ? 1.0602 0.8863 0.8475 0.1822 -0.0229 -0.0066 383 ASP c CG +35704 O OD1 . ASP U 365 ? 1.6272 1.4467 1.4081 0.1885 -0.0239 -0.0072 383 ASP c OD1 +35705 O OD2 . ASP U 365 ? 1.2927 1.1314 1.0900 0.1811 -0.0236 -0.0067 383 ASP c OD2 +35706 N N . ILE U 366 ? 1.0300 0.8163 0.7907 0.1638 -0.0205 -0.0032 384 ILE c N +35707 C CA . ILE U 366 ? 1.0532 0.8331 0.8099 0.1585 -0.0185 -0.0030 384 ILE c CA +35708 C C . ILE U 366 ? 1.0248 0.7910 0.7703 0.1619 -0.0181 -0.0036 384 ILE c C +35709 O O . ILE U 366 ? 1.2032 0.9584 0.9403 0.1632 -0.0196 -0.0029 384 ILE c O +35710 C CB . ILE U 366 ? 1.0430 0.8197 0.7990 0.1514 -0.0191 -0.0015 384 ILE c CB +35711 C CG1 . ILE U 366 ? 1.0518 0.8422 0.8191 0.1479 -0.0193 -0.0011 384 ILE c CG1 +35712 C CG2 . ILE U 366 ? 0.8802 0.6488 0.6310 0.1464 -0.0173 -0.0015 384 ILE c CG2 +35713 C CD1 . ILE U 366 ? 0.9004 0.6888 0.6679 0.1410 -0.0198 0.0003 384 ILE c CD1 +35714 N N . GLN U 367 ? 1.0990 0.8654 0.8438 0.1631 -0.0159 -0.0048 385 GLN c N +35715 C CA . GLN U 367 ? 1.0097 0.7637 0.7442 0.1665 -0.0153 -0.0056 385 GLN c CA +35716 C C . GLN U 367 ? 1.1033 0.8458 0.8303 0.1607 -0.0147 -0.0050 385 GLN c C +35717 O O . GLN U 367 ? 1.0900 0.8358 0.8208 0.1541 -0.0141 -0.0044 385 GLN c O +35718 C CB . GLN U 367 ? 1.0008 0.7601 0.7379 0.1700 -0.0131 -0.0072 385 GLN c CB +35719 C CG . GLN U 367 ? 1.0526 0.8242 0.7979 0.1755 -0.0134 -0.0080 385 GLN c CG +35720 C CD . GLN U 367 ? 1.4023 1.1700 1.1440 0.1812 -0.0159 -0.0078 385 GLN c CD +35721 O OE1 . GLN U 367 ? 1.3680 1.1232 1.0996 0.1846 -0.0165 -0.0079 385 GLN c OE1 +35722 N NE2 . GLN U 367 ? 1.4523 1.2303 1.2019 0.1822 -0.0176 -0.0074 385 GLN c NE2 +35723 N N . PRO U 368 ? 1.0964 0.8250 0.8124 0.1629 -0.0148 -0.0053 386 PRO c N +35724 C CA . PRO U 368 ? 1.2002 0.9176 0.9090 0.1572 -0.0142 -0.0049 386 PRO c CA +35725 C C . PRO U 368 ? 1.0111 0.7314 0.7221 0.1534 -0.0120 -0.0058 386 PRO c C +35726 O O . PRO U 368 ? 1.0048 0.7207 0.7139 0.1471 -0.0116 -0.0053 386 PRO c O +35727 C CB . PRO U 368 ? 1.0907 0.7932 0.7874 0.1616 -0.0147 -0.0053 386 PRO c CB +35728 C CG . PRO U 368 ? 0.9624 0.6674 0.6600 0.1679 -0.0165 -0.0050 386 PRO c CG +35729 C CD . PRO U 368 ? 1.2223 0.9438 0.9316 0.1701 -0.0161 -0.0056 386 PRO c CD +35730 N N . TRP U 369 ? 0.9558 0.6833 0.6709 0.1570 -0.0105 -0.0071 387 TRP c N +35731 C CA . TRP U 369 ? 1.0921 0.8221 0.8090 0.1532 -0.0084 -0.0078 387 TRP c CA +35732 C C . TRP U 369 ? 1.0946 0.8353 0.8208 0.1471 -0.0082 -0.0069 387 TRP c C +35733 O O . TRP U 369 ? 1.0132 0.7528 0.7393 0.1417 -0.0072 -0.0070 387 TRP c O +35734 C CB . TRP U 369 ? 0.9418 0.6766 0.6604 0.1586 -0.0067 -0.0094 387 TRP c CB +35735 C CG . TRP U 369 ? 1.0240 0.7736 0.7531 0.1616 -0.0065 -0.0095 387 TRP c CG +35736 C CD1 . TRP U 369 ? 0.9913 0.7447 0.7224 0.1679 -0.0076 -0.0098 387 TRP c CD1 +35737 C CD2 . TRP U 369 ? 0.9527 0.7155 0.6920 0.1584 -0.0051 -0.0095 387 TRP c CD2 +35738 N NE1 . TRP U 369 ? 1.0714 0.8399 0.8137 0.1687 -0.0069 -0.0100 387 TRP c NE1 +35739 C CE2 . TRP U 369 ? 1.0386 0.8129 0.7859 0.1629 -0.0053 -0.0098 387 TRP c CE2 +35740 C CE3 . TRP U 369 ? 0.9473 0.7132 0.6895 0.1523 -0.0037 -0.0094 387 TRP c CE3 +35741 C CZ2 . TRP U 369 ? 1.0174 0.8058 0.7754 0.1611 -0.0041 -0.0099 387 TRP c CZ2 +35742 C CZ3 . TRP U 369 ? 0.9544 0.7340 0.7069 0.1508 -0.0025 -0.0094 387 TRP c CZ3 +35743 C CH2 . TRP U 369 ? 0.9163 0.7069 0.6766 0.1551 -0.0027 -0.0096 387 TRP c CH2 +35744 N N . GLN U 370 ? 1.0567 0.8074 0.7909 0.1478 -0.0093 -0.0062 388 GLN c N +35745 C CA . GLN U 370 ? 1.0106 0.7707 0.7533 0.1420 -0.0093 -0.0052 388 GLN c CA +35746 C C . GLN U 370 ? 0.9533 0.7056 0.6919 0.1360 -0.0104 -0.0040 388 GLN c C +35747 O O . GLN U 370 ? 0.9444 0.6990 0.6858 0.1301 -0.0097 -0.0037 388 GLN c O +35748 C CB . GLN U 370 ? 0.8601 0.6318 0.6115 0.1445 -0.0104 -0.0048 388 GLN c CB +35749 C CG . GLN U 370 ? 0.9240 0.7054 0.6812 0.1494 -0.0090 -0.0061 388 GLN c CG +35750 C CD . GLN U 370 ? 0.9514 0.7434 0.7165 0.1526 -0.0103 -0.0059 388 GLN c CD +35751 O OE1 . GLN U 370 ? 1.0684 0.8566 0.8303 0.1568 -0.0122 -0.0057 388 GLN c OE1 +35752 N NE2 . GLN U 370 ? 0.9584 0.7634 0.7336 0.1507 -0.0094 -0.0059 388 GLN c NE2 +35753 N N . GLU U 371 ? 0.9886 0.7316 0.7205 0.1376 -0.0120 -0.0034 389 GLU c N +35754 C CA . GLU U 371 ? 0.9375 0.6720 0.6646 0.1320 -0.0128 -0.0024 389 GLU c CA +35755 C C . GLU U 371 ? 1.0355 0.7621 0.7571 0.1282 -0.0114 -0.0030 389 GLU c C +35756 O O . GLU U 371 ? 0.9626 0.6897 0.6860 0.1219 -0.0112 -0.0025 389 GLU c O +35757 C CB . GLU U 371 ? 0.9159 0.6404 0.6354 0.1350 -0.0145 -0.0017 389 GLU c CB +35758 C CG . GLU U 371 ? 1.0126 0.7280 0.7269 0.1294 -0.0151 -0.0006 389 GLU c CG +35759 C CD . GLU U 371 ? 1.0997 0.8065 0.8075 0.1319 -0.0168 0.0004 389 GLU c CD +35760 O OE1 . GLU U 371 ? 1.0229 0.7321 0.7313 0.1380 -0.0178 0.0003 389 GLU c OE1 +35761 O OE2 . GLU U 371 ? 1.0386 0.7361 0.7407 0.1277 -0.0170 0.0011 389 GLU c OE2 +35762 N N . ARG U 372 ? 0.9702 0.6895 0.6849 0.1321 -0.0106 -0.0042 390 ARG c N +35763 C CA . ARG U 372 ? 1.0442 0.7558 0.7533 0.1289 -0.0094 -0.0051 390 ARG c CA +35764 C C . ARG U 372 ? 0.9553 0.6766 0.6718 0.1247 -0.0081 -0.0054 390 ARG c C +35765 O O . ARG U 372 ? 0.9500 0.6682 0.6652 0.1189 -0.0079 -0.0053 390 ARG c O +35766 C CB . ARG U 372 ? 0.9394 0.6440 0.6414 0.1346 -0.0086 -0.0065 390 ARG c CB +35767 C CG . ARG U 372 ? 1.0799 0.7698 0.7709 0.1367 -0.0095 -0.0065 390 ARG c CG +35768 C CD . ARG U 372 ? 1.0846 0.7662 0.7678 0.1408 -0.0084 -0.0081 390 ARG c CD +35769 N NE . ARG U 372 ? 1.0232 0.7130 0.7106 0.1468 -0.0074 -0.0091 390 ARG c NE +35770 C CZ . ARG U 372 ? 1.1214 0.8128 0.8089 0.1535 -0.0081 -0.0092 390 ARG c CZ +35771 N NH1 . ARG U 372 ? 1.0268 0.7122 0.7103 0.1552 -0.0098 -0.0082 390 ARG c NH1 +35772 N NH2 . ARG U 372 ? 0.9629 0.6620 0.6545 0.1585 -0.0069 -0.0103 390 ARG c NH2 +35773 N N A ARG U 373 ? 0.9251 0.6577 0.6490 0.1277 -0.0072 -0.0058 391 ARG c N +35774 N N B ARG U 373 ? 0.9244 0.6574 0.6486 0.1275 -0.0072 -0.0058 391 ARG c N +35775 C CA A ARG U 373 ? 0.9673 0.7087 0.6977 0.1242 -0.0058 -0.0061 391 ARG c CA +35776 C CA B ARG U 373 ? 0.9678 0.7095 0.6984 0.1240 -0.0058 -0.0061 391 ARG c CA +35777 C C A ARG U 373 ? 1.0371 0.7838 0.7734 0.1178 -0.0065 -0.0049 391 ARG c C +35778 C C B ARG U 373 ? 1.0369 0.7838 0.7733 0.1175 -0.0065 -0.0048 391 ARG c C +35779 O O A ARG U 373 ? 0.9791 0.7262 0.7162 0.1128 -0.0058 -0.0049 391 ARG c O +35780 O O B ARG U 373 ? 0.9782 0.7248 0.7150 0.1125 -0.0059 -0.0049 391 ARG c O +35781 C CB A ARG U 373 ? 1.0074 0.7604 0.7450 0.1286 -0.0046 -0.0067 391 ARG c CB +35782 C CB B ARG U 373 ? 1.0076 0.7609 0.7455 0.1284 -0.0046 -0.0067 391 ARG c CB +35783 C CG A ARG U 373 ? 0.9864 0.7473 0.7294 0.1257 -0.0027 -0.0072 391 ARG c CG +35784 C CG B ARG U 373 ? 1.1436 0.8953 0.8783 0.1315 -0.0027 -0.0082 391 ARG c CG +35785 C CD A ARG U 373 ? 1.0606 0.8164 0.7979 0.1284 -0.0010 -0.0087 391 ARG c CD +35786 C CD B ARG U 373 ? 1.0412 0.7902 0.7740 0.1263 -0.0016 -0.0086 391 ARG c CD +35787 N NE A ARG U 373 ? 1.1858 0.9461 0.9247 0.1352 -0.0001 -0.0096 391 ARG c NE +35788 N NE B ARG U 373 ? 1.0595 0.7960 0.7820 0.1275 -0.0013 -0.0097 391 ARG c NE +35789 C CZ A ARG U 373 ? 1.0345 0.7897 0.7678 0.1394 0.0011 -0.0110 391 ARG c CZ +35790 C CZ B ARG U 373 ? 1.1030 0.8382 0.8228 0.1289 0.0004 -0.0110 391 ARG c CZ +35791 N NH1 A ARG U 373 ? 1.1499 0.8949 0.8751 0.1376 0.0016 -0.0117 391 ARG c NH1 +35792 N NH1 B ARG U 373 ? 1.1155 0.8608 0.8418 0.1290 0.0021 -0.0114 391 ARG c NH1 +35793 N NH2 A ARG U 373 ? 1.2671 1.0277 1.0030 0.1456 0.0020 -0.0117 391 ARG c NH2 +35794 N NH2 B ARG U 373 ? 1.3795 1.1024 1.0894 0.1301 0.0005 -0.0120 391 ARG c NH2 +35795 N N A ALA U 374 ? 0.9877 0.7387 0.7281 0.1180 -0.0079 -0.0037 392 ALA c N +35796 N N B ALA U 374 ? 0.9892 0.7408 0.7301 0.1177 -0.0078 -0.0037 392 ALA c N +35797 C CA A ALA U 374 ? 0.9500 0.7065 0.6963 0.1122 -0.0085 -0.0025 392 ALA c CA +35798 C CA B ALA U 374 ? 0.9501 0.7068 0.6966 0.1118 -0.0085 -0.0025 392 ALA c CA +35799 C C A ALA U 374 ? 0.8990 0.6457 0.6394 0.1068 -0.0091 -0.0021 392 ALA c C +35800 C C B ALA U 374 ? 0.8997 0.6463 0.6400 0.1067 -0.0090 -0.0021 392 ALA c C +35801 O O A ALA U 374 ? 0.8562 0.6063 0.6002 0.1013 -0.0089 -0.0017 392 ALA c O +35802 O O B ALA U 374 ? 0.8563 0.6059 0.6000 0.1011 -0.0088 -0.0018 392 ALA c O +35803 C CB A ALA U 374 ? 0.8459 0.6079 0.5968 0.1138 -0.0100 -0.0015 392 ALA c CB +35804 C CB B ALA U 374 ? 0.8434 0.6056 0.5945 0.1134 -0.0100 -0.0014 392 ALA c CB +35805 N N . ALA U 375 ? 0.8452 0.5798 0.5765 0.1084 -0.0097 -0.0022 393 ALA c N +35806 C CA . ALA U 375 ? 0.9463 0.6711 0.6716 0.1034 -0.0101 -0.0020 393 ALA c CA +35807 C C . ALA U 375 ? 0.9847 0.7068 0.7078 0.1005 -0.0089 -0.0031 393 ALA c C +35808 O O . ALA U 375 ? 0.9046 0.6253 0.6280 0.0946 -0.0090 -0.0029 393 ALA c O +35809 C CB . ALA U 375 ? 0.9364 0.6484 0.6520 0.1062 -0.0109 -0.0019 393 ALA c CB +35810 N N A GLU U 376 ? 0.9432 0.6650 0.6642 0.1046 -0.0078 -0.0044 394 GLU c N +35811 N N B GLU U 376 ? 0.9445 0.6661 0.6654 0.1046 -0.0078 -0.0044 394 GLU c N +35812 C CA A GLU U 376 ? 0.8935 0.6126 0.6119 0.1023 -0.0067 -0.0055 394 GLU c CA +35813 C CA B GLU U 376 ? 0.8922 0.6111 0.6105 0.1022 -0.0067 -0.0055 394 GLU c CA +35814 C C A GLU U 376 ? 0.9214 0.6511 0.6481 0.0980 -0.0061 -0.0053 394 GLU c C +35815 C C B GLU U 376 ? 0.9231 0.6527 0.6498 0.0980 -0.0061 -0.0052 394 GLU c C +35816 O O A GLU U 376 ? 0.8730 0.6004 0.5988 0.0930 -0.0061 -0.0055 394 GLU c O +35817 O O B GLU U 376 ? 0.8730 0.6003 0.5987 0.0929 -0.0061 -0.0055 394 GLU c O +35818 C CB A GLU U 376 ? 0.9200 0.6370 0.6346 0.1081 -0.0055 -0.0069 394 GLU c CB +35819 C CB B GLU U 376 ? 0.9195 0.6365 0.6341 0.1081 -0.0055 -0.0069 394 GLU c CB +35820 C CG A GLU U 376 ? 0.9184 0.6351 0.6316 0.1068 -0.0041 -0.0082 394 GLU c CG +35821 C CG B GLU U 376 ? 0.9174 0.6342 0.6307 0.1067 -0.0041 -0.0082 394 GLU c CG +35822 C CD A GLU U 376 ? 0.9680 0.6725 0.6727 0.1032 -0.0045 -0.0089 394 GLU c CD +35823 C CD B GLU U 376 ? 0.9682 0.6729 0.6729 0.1032 -0.0045 -0.0090 394 GLU c CD +35824 O OE1 A GLU U 376 ? 0.9834 0.6791 0.6827 0.1021 -0.0056 -0.0085 394 GLU c OE1 +35825 O OE1 B GLU U 376 ? 0.9840 0.6797 0.6833 0.1020 -0.0056 -0.0085 394 GLU c OE1 +35826 O OE2 A GLU U 376 ? 0.9899 0.6936 0.6931 0.1014 -0.0037 -0.0100 394 GLU c OE2 +35827 O OE2 B GLU U 376 ? 0.9907 0.6948 0.6940 0.1016 -0.0036 -0.0100 394 GLU c OE2 +35828 N N A TYR U 377 ? 0.8530 0.5944 0.5880 0.1000 -0.0057 -0.0048 395 TYR c N +35829 N N B TYR U 377 ? 0.8513 0.5927 0.5863 0.0999 -0.0057 -0.0048 395 TYR c N +35830 C CA A TYR U 377 ? 0.9377 0.6894 0.6806 0.0964 -0.0050 -0.0045 395 TYR c CA +35831 C CA B TYR U 377 ? 0.9395 0.6911 0.6824 0.0964 -0.0050 -0.0045 395 TYR c CA +35832 C C A TYR U 377 ? 0.9064 0.6601 0.6529 0.0906 -0.0061 -0.0033 395 TYR c C +35833 C C B TYR U 377 ? 0.9080 0.6614 0.6544 0.0904 -0.0061 -0.0033 395 TYR c C +35834 O O A TYR U 377 ? 0.9094 0.6663 0.6589 0.0861 -0.0058 -0.0033 395 TYR c O +35835 O O B TYR U 377 ? 0.9125 0.6686 0.6614 0.0859 -0.0058 -0.0034 395 TYR c O +35836 C CB A TYR U 377 ? 0.8523 0.6156 0.6029 0.1003 -0.0041 -0.0044 395 TYR c CB +35837 C CB B TYR U 377 ? 0.8509 0.6141 0.6014 0.1002 -0.0041 -0.0044 395 TYR c CB +35838 C CG A TYR U 377 ? 0.9176 0.6811 0.6660 0.1051 -0.0025 -0.0058 395 TYR c CG +35839 C CG B TYR U 377 ? 0.9180 0.6815 0.6665 0.1050 -0.0025 -0.0057 395 TYR c CG +35840 C CD1 A TYR U 377 ? 0.9206 0.6749 0.6611 0.1052 -0.0018 -0.0069 395 TYR c CD1 +35841 C CD1 B TYR U 377 ? 0.9208 0.6752 0.6614 0.1052 -0.0019 -0.0069 395 TYR c CD1 +35842 C CD2 A TYR U 377 ? 0.8890 0.6620 0.6434 0.1093 -0.0015 -0.0059 395 TYR c CD2 +35843 C CD2 B TYR U 377 ? 0.8875 0.6604 0.6419 0.1093 -0.0016 -0.0059 395 TYR c CD2 +35844 C CE1 A TYR U 377 ? 0.9331 0.6875 0.6715 0.1097 -0.0002 -0.0082 395 TYR c CE1 +35845 C CE1 B TYR U 377 ? 0.9333 0.6878 0.6718 0.1096 -0.0002 -0.0082 395 TYR c CE1 +35846 C CE2 A TYR U 377 ? 0.9180 0.6914 0.6706 0.1137 0.0002 -0.0072 395 TYR c CE2 +35847 C CE2 B TYR U 377 ? 0.9175 0.6909 0.6702 0.1137 0.0001 -0.0072 395 TYR c CE2 +35848 C CZ A TYR U 377 ? 0.9847 0.7487 0.7292 0.1140 0.0008 -0.0083 395 TYR c CZ +35849 C CZ B TYR U 377 ? 0.9857 0.7498 0.7303 0.1139 0.0008 -0.0083 395 TYR c CZ +35850 O OH A TYR U 377 ? 0.9316 0.6960 0.6741 0.1184 0.0026 -0.0096 395 TYR c OH +35851 O OH B TYR U 377 ? 0.9313 0.6957 0.6739 0.1184 0.0026 -0.0095 395 TYR c OH +35852 N N A MET U 378 ? 0.9198 0.6715 0.6661 0.0907 -0.0074 -0.0023 396 MET c N +35853 N N B MET U 378 ? 0.9206 0.6722 0.6669 0.0905 -0.0074 -0.0023 396 MET c N +35854 C CA A MET U 378 ? 0.9074 0.6598 0.6563 0.0852 -0.0084 -0.0012 396 MET c CA +35855 C CA B MET U 378 ? 0.9070 0.6592 0.6557 0.0850 -0.0084 -0.0012 396 MET c CA +35856 C C A MET U 378 ? 0.9440 0.6874 0.6871 0.0805 -0.0086 -0.0016 396 MET c C +35857 C C B MET U 378 ? 0.9460 0.6891 0.6888 0.0804 -0.0086 -0.0017 396 MET c C +35858 O O A MET U 378 ? 0.8745 0.6206 0.6210 0.0753 -0.0089 -0.0012 396 MET c O +35859 O O B MET U 378 ? 0.8745 0.6201 0.6206 0.0751 -0.0089 -0.0013 396 MET c O +35860 C CB A MET U 378 ? 0.9532 0.7038 0.7016 0.0868 -0.0097 -0.0002 396 MET c CB +35861 C CB B MET U 378 ? 0.9543 0.7045 0.7024 0.0866 -0.0097 -0.0002 396 MET c CB +35862 C CG A MET U 378 ? 0.9444 0.6898 0.6907 0.0818 -0.0106 0.0007 396 MET c CG +35863 C CG B MET U 378 ? 0.9467 0.6927 0.6936 0.0813 -0.0106 0.0007 396 MET c CG +35864 S SD A MET U 378 ? 0.9139 0.6554 0.6579 0.0837 -0.0121 0.0019 396 MET c SD +35865 S SD B MET U 378 ? 0.9202 0.6607 0.6637 0.0831 -0.0121 0.0019 396 MET c SD +35866 C CE A MET U 378 ? 0.8431 0.5786 0.5849 0.0765 -0.0125 0.0025 396 MET c CE +35867 C CE B MET U 378 ? 0.8378 0.5722 0.5789 0.0759 -0.0124 0.0024 396 MET c CE +35868 N N A THR U 379 ? 0.9065 0.6394 0.6410 0.0823 -0.0084 -0.0026 397 THR c N +35869 N N B THR U 379 ? 0.9076 0.6401 0.6418 0.0823 -0.0084 -0.0026 397 THR c N +35870 C CA A THR U 379 ? 0.8754 0.5992 0.6041 0.0780 -0.0087 -0.0032 397 THR c CA +35871 C CA B THR U 379 ? 0.8746 0.5979 0.6029 0.0780 -0.0087 -0.0032 397 THR c CA +35872 C C A THR U 379 ? 0.8691 0.5932 0.5969 0.0768 -0.0078 -0.0045 397 THR c C +35873 C C B THR U 379 ? 0.8683 0.5922 0.5959 0.0767 -0.0078 -0.0045 397 THR c C +35874 O O A THR U 379 ? 0.8855 0.6022 0.6084 0.0734 -0.0080 -0.0052 397 THR c O +35875 O O B THR U 379 ? 0.8851 0.6017 0.6079 0.0732 -0.0080 -0.0052 397 THR c O +35876 C CB A THR U 379 ? 0.9530 0.6638 0.6720 0.0800 -0.0091 -0.0035 397 THR c CB +35877 C CB B THR U 379 ? 0.9545 0.6649 0.6732 0.0802 -0.0091 -0.0036 397 THR c CB +35878 O OG1 A THR U 379 ? 0.9355 0.6442 0.6510 0.0861 -0.0085 -0.0043 397 THR c OG1 +35879 O OG1 B THR U 379 ? 0.9369 0.6455 0.6522 0.0864 -0.0084 -0.0044 397 THR c OG1 +35880 C CG2 A THR U 379 ? 0.8595 0.5684 0.5785 0.0798 -0.0101 -0.0021 397 THR c CG2 +35881 C CG2 B THR U 379 ? 0.8596 0.5681 0.5782 0.0799 -0.0101 -0.0022 397 THR c CG2 +35882 N N A HIS U 380 ? 0.8750 0.6075 0.6075 0.0794 -0.0067 -0.0048 398 HIS c N +35883 N N B HIS U 380 ? 0.8750 0.6073 0.6073 0.0794 -0.0068 -0.0048 398 HIS c N +35884 C CA A HIS U 380 ? 0.9009 0.6350 0.6333 0.0781 -0.0058 -0.0059 398 HIS c CA +35885 C CA B HIS U 380 ? 0.9006 0.6346 0.6329 0.0781 -0.0058 -0.0059 398 HIS c CA +35886 C C A HIS U 380 ? 0.9577 0.7042 0.6993 0.0764 -0.0053 -0.0052 398 HIS c C +35887 C C B HIS U 380 ? 0.9602 0.7066 0.7017 0.0765 -0.0053 -0.0052 398 HIS c C +35888 O O A HIS U 380 ? 0.9239 0.6753 0.6675 0.0781 -0.0040 -0.0058 398 HIS c O +35889 O O B HIS U 380 ? 0.9256 0.6775 0.6695 0.0785 -0.0040 -0.0057 398 HIS c O +35890 C CB A HIS U 380 ? 0.8623 0.5925 0.5895 0.0832 -0.0047 -0.0072 398 HIS c CB +35891 C CB B HIS U 380 ? 0.8611 0.5912 0.5883 0.0833 -0.0047 -0.0072 398 HIS c CB +35892 C CG A HIS U 380 ? 0.9630 0.6800 0.6803 0.0845 -0.0052 -0.0080 398 HIS c CG +35893 C CG B HIS U 380 ? 0.9641 0.6810 0.6814 0.0845 -0.0052 -0.0080 398 HIS c CG +35894 N ND1 A HIS U 380 ? 0.9402 0.6515 0.6538 0.0874 -0.0058 -0.0076 398 HIS c ND1 +35895 N ND1 B HIS U 380 ? 0.9402 0.6513 0.6537 0.0874 -0.0058 -0.0075 398 HIS c ND1 +35896 C CD2 A HIS U 380 ? 0.9536 0.6616 0.6637 0.0830 -0.0051 -0.0093 398 HIS c CD2 +35897 C CD2 B HIS U 380 ? 0.9537 0.6617 0.6638 0.0832 -0.0051 -0.0093 398 HIS c CD2 +35898 C CE1 A HIS U 380 ? 0.9909 0.6901 0.6953 0.0878 -0.0060 -0.0085 398 HIS c CE1 +35899 C CE1 B HIS U 380 ? 0.9914 0.6905 0.6958 0.0877 -0.0060 -0.0085 398 HIS c CE1 +35900 N NE2 A HIS U 380 ? 0.9889 0.6861 0.6913 0.0851 -0.0056 -0.0097 398 HIS c NE2 +35901 N NE2 B HIS U 380 ? 0.9893 0.6864 0.6916 0.0852 -0.0056 -0.0096 398 HIS c NE2 +35902 N N A ALA U 381 ? 0.9090 0.6605 0.6562 0.0731 -0.0062 -0.0040 399 ALA c N +35903 N N B ALA U 381 ? 0.9087 0.6595 0.6555 0.0727 -0.0062 -0.0040 399 ALA c N +35904 C CA A ALA U 381 ? 0.8399 0.6027 0.5958 0.0710 -0.0058 -0.0032 399 ALA c CA +35905 C CA B ALA U 381 ? 0.8398 0.6020 0.5953 0.0708 -0.0058 -0.0033 399 ALA c CA +35906 C C A ALA U 381 ? 0.8228 0.5862 0.5786 0.0674 -0.0054 -0.0039 399 ALA c C +35907 C C B ALA U 381 ? 0.8233 0.5865 0.5790 0.0671 -0.0055 -0.0039 399 ALA c C +35908 O O A ALA U 381 ? 0.8156 0.5715 0.5664 0.0643 -0.0061 -0.0046 399 ALA c O +35909 O O B ALA U 381 ? 0.8143 0.5700 0.5649 0.0641 -0.0061 -0.0046 399 ALA c O +35910 C CB A ALA U 381 ? 0.8178 0.5843 0.5785 0.0680 -0.0069 -0.0019 399 ALA c CB +35911 C CB B ALA U 381 ? 0.8180 0.5838 0.5783 0.0676 -0.0070 -0.0019 399 ALA c CB +35912 N N A PRO U 382 ? 0.8100 0.5821 0.5712 0.0675 -0.0044 -0.0038 400 PRO c N +35913 N N B PRO U 382 ? 0.8085 0.5805 0.5698 0.0674 -0.0044 -0.0038 400 PRO c N +35914 C CA A PRO U 382 ? 0.8580 0.6307 0.6190 0.0644 -0.0041 -0.0045 400 PRO c CA +35915 C CA B PRO U 382 ? 0.8588 0.6314 0.6197 0.0643 -0.0041 -0.0045 400 PRO c CA +35916 C C A PRO U 382 ? 0.8199 0.5941 0.5840 0.0586 -0.0053 -0.0038 400 PRO c C +35917 C C B PRO U 382 ? 0.8205 0.5944 0.5843 0.0585 -0.0053 -0.0039 400 PRO c C +35918 O O A PRO U 382 ? 0.8186 0.6007 0.5886 0.0565 -0.0050 -0.0032 400 PRO c O +35919 O O B PRO U 382 ? 0.8174 0.5990 0.5871 0.0564 -0.0050 -0.0033 400 PRO c O +35920 C CB A PRO U 382 ? 0.8578 0.6399 0.6241 0.0666 -0.0024 -0.0043 400 PRO c CB +35921 C CB B PRO U 382 ? 0.8587 0.6408 0.6251 0.0666 -0.0025 -0.0043 400 PRO c CB +35922 C CG A PRO U 382 ? 0.8831 0.6723 0.6559 0.0683 -0.0025 -0.0031 400 PRO c CG +35923 C CG B PRO U 382 ? 0.8852 0.6743 0.6578 0.0683 -0.0025 -0.0031 400 PRO c CG +35924 C CD A PRO U 382 ? 0.8683 0.6501 0.6362 0.0707 -0.0034 -0.0032 400 PRO c CD +35925 C CD B PRO U 382 ? 0.8692 0.6507 0.6368 0.0707 -0.0034 -0.0032 400 PRO c CD +35926 N N A LEU U 383 ? 0.7557 0.5223 0.5156 0.0561 -0.0066 -0.0040 401 LEU c N +35927 N N B LEU U 383 ? 0.7536 0.5199 0.5133 0.0560 -0.0066 -0.0040 401 LEU c N +35928 C CA A LEU U 383 ? 0.7813 0.5480 0.5432 0.0506 -0.0077 -0.0036 401 LEU c CA +35929 C CA B LEU U 383 ? 0.7783 0.5446 0.5399 0.0505 -0.0078 -0.0037 401 LEU c CA +35930 C C A LEU U 383 ? 0.8675 0.6240 0.6220 0.0485 -0.0085 -0.0048 401 LEU c C +35931 C C B LEU U 383 ? 0.8709 0.6271 0.6251 0.0483 -0.0085 -0.0049 401 LEU c C +35932 O O A LEU U 383 ? 0.8123 0.5607 0.5607 0.0506 -0.0085 -0.0053 401 LEU c O +35933 O O B LEU U 383 ? 0.8126 0.5606 0.5607 0.0503 -0.0086 -0.0054 401 LEU c O +35934 C CB A LEU U 383 ? 0.7621 0.5304 0.5273 0.0493 -0.0086 -0.0023 401 LEU c CB +35935 C CB B LEU U 383 ? 0.7594 0.5275 0.5246 0.0490 -0.0086 -0.0023 401 LEU c CB +35936 C CG A LEU U 383 ? 0.8980 0.6765 0.6712 0.0502 -0.0082 -0.0010 401 LEU c CG +35937 C CG B LEU U 383 ? 0.8997 0.6780 0.6727 0.0501 -0.0082 -0.0010 401 LEU c CG +35938 C CD1 A LEU U 383 ? 0.8605 0.6410 0.6339 0.0559 -0.0073 -0.0009 401 LEU c CD1 +35939 C CD1 B LEU U 383 ? 0.8621 0.6414 0.6347 0.0557 -0.0075 -0.0009 401 LEU c CD1 +35940 C CD2 A LEU U 383 ? 0.9214 0.7007 0.6976 0.0472 -0.0093 0.0001 401 LEU c CD2 +35941 C CD2 B LEU U 383 ? 0.9211 0.7010 0.6977 0.0468 -0.0093 0.0001 401 LEU c CD2 +35942 N N A GLY U 384 ? 0.8227 0.5797 0.5778 0.0444 -0.0091 -0.0053 402 GLY c N +35943 N N B GLY U 384 ? 0.8237 0.5804 0.5787 0.0441 -0.0092 -0.0054 402 GLY c N +35944 C CA A GLY U 384 ? 0.8270 0.5750 0.5757 0.0418 -0.0099 -0.0066 402 GLY c CA +35945 C CA B GLY U 384 ? 0.8270 0.5747 0.5756 0.0416 -0.0100 -0.0067 402 GLY c CA +35946 C C A GLY U 384 ? 0.8594 0.6104 0.6105 0.0376 -0.0107 -0.0071 402 GLY c C +35947 C C B GLY U 384 ? 0.8600 0.6107 0.6109 0.0374 -0.0107 -0.0072 402 GLY c C +35948 O O A GLY U 384 ? 0.8147 0.5739 0.5712 0.0373 -0.0103 -0.0066 402 GLY c O +35949 O O B GLY U 384 ? 0.8148 0.5737 0.5709 0.0372 -0.0104 -0.0067 402 GLY c O +35950 N N A SER U 385 ? 0.7885 0.5325 0.5353 0.0342 -0.0118 -0.0082 403 SER c N +35951 N N B SER U 385 ? 0.7875 0.5314 0.5343 0.0340 -0.0119 -0.0083 403 SER c N +35952 C CA A SER U 385 ? 0.8318 0.5779 0.5805 0.0299 -0.0128 -0.0088 403 SER c CA +35953 C CA B SER U 385 ? 0.8311 0.5772 0.5798 0.0297 -0.0129 -0.0088 403 SER c CA +35954 C C A SER U 385 ? 0.9320 0.6763 0.6767 0.0309 -0.0127 -0.0102 403 SER c C +35955 C C B SER U 385 ? 0.9345 0.6787 0.6792 0.0307 -0.0128 -0.0103 403 SER c C +35956 O O A SER U 385 ? 0.9016 0.6412 0.6410 0.0346 -0.0119 -0.0110 403 SER c O +35957 O O B SER U 385 ? 0.9038 0.6435 0.6434 0.0344 -0.0119 -0.0110 403 SER c O +35958 C CB A SER U 385 ? 0.8635 0.6035 0.6100 0.0255 -0.0141 -0.0094 403 SER c CB +35959 C CB B SER U 385 ? 0.8630 0.6031 0.6095 0.0253 -0.0142 -0.0094 403 SER c CB +35960 O OG A SER U 385 ? 0.8987 0.6287 0.6370 0.0264 -0.0142 -0.0109 403 SER c OG +35961 O OG B SER U 385 ? 0.9011 0.6310 0.6395 0.0262 -0.0143 -0.0108 403 SER c OG +35962 N N A LEU U 386 ? 0.8855 0.6333 0.6327 0.0276 -0.0137 -0.0107 404 LEU c N +35963 N N B LEU U 386 ? 0.8871 0.6347 0.6343 0.0274 -0.0137 -0.0107 404 LEU c N +35964 C CA A LEU U 386 ? 0.8695 0.6159 0.6131 0.0283 -0.0137 -0.0120 404 LEU c CA +35965 C CA B LEU U 386 ? 0.8693 0.6157 0.6130 0.0281 -0.0138 -0.0120 404 LEU c CA +35966 C C A LEU U 386 ? 0.9026 0.6384 0.6378 0.0284 -0.0143 -0.0138 404 LEU c C +35967 C C B LEU U 386 ? 0.9030 0.6389 0.6383 0.0281 -0.0144 -0.0138 404 LEU c C +35968 O O A LEU U 386 ? 0.8744 0.6072 0.6048 0.0311 -0.0137 -0.0148 404 LEU c O +35969 O O B LEU U 386 ? 0.8746 0.6074 0.6050 0.0308 -0.0138 -0.0149 404 LEU c O +35970 C CB A LEU U 386 ? 0.9007 0.6523 0.6483 0.0245 -0.0150 -0.0121 404 LEU c CB +35971 C CB B LEU U 386 ? 0.8996 0.6514 0.6474 0.0243 -0.0150 -0.0121 404 LEU c CB +35972 C CG A LEU U 386 ? 1.1058 0.8577 0.8507 0.0252 -0.0151 -0.0132 404 LEU c CG +35973 C CG B LEU U 386 ? 1.1084 0.8606 0.8537 0.0249 -0.0152 -0.0132 404 LEU c CG +35974 C CD1 A LEU U 386 ? 0.9933 0.7483 0.7379 0.0299 -0.0130 -0.0126 404 LEU c CD1 +35975 C CD1 B LEU U 386 ? 0.9934 0.7486 0.7382 0.0296 -0.0132 -0.0127 404 LEU c CD1 +35976 C CD2 A LEU U 386 ? 1.0350 0.7933 0.7850 0.0217 -0.0163 -0.0129 404 LEU c CD2 +35977 C CD2 B LEU U 386 ? 1.0346 0.7933 0.7851 0.0214 -0.0163 -0.0128 404 LEU c CD2 +35978 N N A ASN U 387 ? 0.8533 0.5832 0.5864 0.0253 -0.0154 -0.0143 405 ASN c N +35979 N N B ASN U 387 ? 0.8515 0.5815 0.5848 0.0251 -0.0154 -0.0143 405 ASN c N +35980 C CA A ASN U 387 ? 0.8917 0.6109 0.6166 0.0252 -0.0158 -0.0160 405 ASN c CA +35981 C CA B ASN U 387 ? 0.8915 0.6108 0.6166 0.0250 -0.0159 -0.0160 405 ASN c CA +35982 C C A ASN U 387 ? 0.8811 0.5942 0.6014 0.0293 -0.0146 -0.0157 405 ASN c C +35983 C C B ASN U 387 ? 0.8807 0.5941 0.6012 0.0292 -0.0146 -0.0157 405 ASN c C +35984 O O A ASN U 387 ? 0.9182 0.6219 0.6321 0.0289 -0.0150 -0.0168 405 ASN c O +35985 O O B ASN U 387 ? 0.9188 0.6227 0.6328 0.0287 -0.0150 -0.0168 405 ASN c O +35986 C CB A ASN U 387 ? 0.8263 0.5416 0.5509 0.0199 -0.0175 -0.0167 405 ASN c CB +35987 C CB B ASN U 387 ? 0.8251 0.5405 0.5499 0.0197 -0.0175 -0.0167 405 ASN c CB +35988 C CG A ASN U 387 ? 0.9688 0.6864 0.6981 0.0178 -0.0174 -0.0152 405 ASN c CG +35989 C CG B ASN U 387 ? 0.9727 0.6903 0.7021 0.0178 -0.0174 -0.0152 405 ASN c CG +35990 O OD1 A ASN U 387 ? 0.8464 0.5719 0.5819 0.0188 -0.0168 -0.0136 405 ASN c OD1 +35991 O OD1 B ASN U 387 ? 0.8455 0.5709 0.5811 0.0188 -0.0167 -0.0136 405 ASN c OD1 +35992 N ND2 A ASN U 387 ? 0.8353 0.5458 0.5616 0.0147 -0.0180 -0.0158 405 ASN c ND2 +35993 N ND2 B ASN U 387 ? 0.8343 0.5446 0.5604 0.0149 -0.0180 -0.0158 405 ASN c ND2 +35994 N N . SER U 388 ? 0.8370 0.5557 0.5607 0.0331 -0.0132 -0.0143 406 SER c N +35995 C CA . SER U 388 ? 0.9165 0.6309 0.6363 0.0378 -0.0120 -0.0140 406 SER c CA +35996 C C . SER U 388 ? 0.9626 0.6711 0.6806 0.0369 -0.0124 -0.0135 406 SER c C +35997 O O . SER U 388 ? 0.9647 0.6648 0.6761 0.0394 -0.0120 -0.0141 406 SER c O +35998 C CB . SER U 388 ? 0.9081 0.6153 0.6201 0.0408 -0.0116 -0.0157 406 SER c CB +35999 O OG . SER U 388 ? 0.8872 0.6005 0.6011 0.0433 -0.0106 -0.0158 406 SER c OG +36000 N N A VAL U 389 ? 0.8844 0.5973 0.6079 0.0335 -0.0130 -0.0123 407 VAL c N +36001 N N B VAL U 389 ? 0.8838 0.5967 0.6074 0.0335 -0.0130 -0.0123 407 VAL c N +36002 C CA A VAL U 389 ? 0.8544 0.5637 0.5774 0.0333 -0.0129 -0.0113 407 VAL c CA +36003 C CA B VAL U 389 ? 0.8528 0.5622 0.5759 0.0332 -0.0130 -0.0113 407 VAL c CA +36004 C C A VAL U 389 ? 0.9467 0.6630 0.6744 0.0372 -0.0120 -0.0097 407 VAL c C +36005 C C B VAL U 389 ? 0.9489 0.6655 0.6769 0.0370 -0.0120 -0.0097 407 VAL c C +36006 O O A VAL U 389 ? 0.9157 0.6417 0.6508 0.0363 -0.0119 -0.0087 407 VAL c O +36007 O O B VAL U 389 ? 0.9169 0.6430 0.6523 0.0360 -0.0120 -0.0086 407 VAL c O +36008 C CB A VAL U 389 ? 0.8869 0.5972 0.6133 0.0275 -0.0140 -0.0110 407 VAL c CB +36009 C CB B VAL U 389 ? 0.8878 0.5979 0.6141 0.0274 -0.0140 -0.0111 407 VAL c CB +36010 C CG1 A VAL U 389 ? 0.8811 0.5864 0.6058 0.0272 -0.0139 -0.0101 407 VAL c CG1 +36011 C CG1 B VAL U 389 ? 0.8816 0.5868 0.6062 0.0272 -0.0139 -0.0101 407 VAL c CG1 +36012 C CG2 A VAL U 389 ? 0.9161 0.6211 0.6388 0.0236 -0.0151 -0.0128 407 VAL c CG2 +36013 C CG2 B VAL U 389 ? 0.9168 0.6214 0.6393 0.0235 -0.0151 -0.0129 407 VAL c CG2 +36014 N N A GLY U 390 ? 0.8510 0.5626 0.5746 0.0415 -0.0113 -0.0095 408 GLY c N +36015 N N B GLY U 390 ? 0.8496 0.5616 0.5734 0.0414 -0.0113 -0.0095 408 GLY c N +36016 C CA A GLY U 390 ? 0.9357 0.6539 0.6635 0.0457 -0.0104 -0.0082 408 GLY c CA +36017 C CA B GLY U 390 ? 0.9368 0.6555 0.6650 0.0455 -0.0104 -0.0081 408 GLY c CA +36018 C C A GLY U 390 ? 0.9452 0.6670 0.6779 0.0439 -0.0109 -0.0066 408 GLY c C +36019 C C B GLY U 390 ? 0.9454 0.6676 0.6784 0.0437 -0.0109 -0.0066 408 GLY c C +36020 O O A GLY U 390 ? 0.9531 0.6691 0.6834 0.0409 -0.0115 -0.0064 408 GLY c O +36021 O O B GLY U 390 ? 0.9553 0.6717 0.6859 0.0407 -0.0115 -0.0064 408 GLY c O +36022 N N A GLY U 391 ? 0.8171 0.5485 0.5566 0.0457 -0.0104 -0.0054 409 GLY c N +36023 N N B GLY U 391 ? 0.8149 0.5465 0.5545 0.0457 -0.0104 -0.0054 409 GLY c N +36024 C CA A GLY U 391 ? 0.8909 0.6262 0.6350 0.0448 -0.0108 -0.0038 409 GLY c CA +36025 C CA B GLY U 391 ? 0.8908 0.6264 0.6352 0.0446 -0.0108 -0.0038 409 GLY c CA +36026 C C A GLY U 391 ? 0.9088 0.6531 0.6607 0.0408 -0.0112 -0.0031 409 GLY c C +36027 C C B GLY U 391 ? 0.9098 0.6548 0.6621 0.0409 -0.0111 -0.0031 409 GLY c C +36028 O O A GLY U 391 ? 0.8991 0.6473 0.6532 0.0390 -0.0111 -0.0037 409 GLY c O +36029 O O B GLY U 391 ? 0.9087 0.6581 0.6635 0.0396 -0.0110 -0.0036 409 GLY c O +36030 N N A VAL U 392 ? 0.8770 0.6244 0.6329 0.0394 -0.0115 -0.0018 410 VAL c N +36031 N N B VAL U 392 ? 0.8762 0.6241 0.6323 0.0393 -0.0115 -0.0018 410 VAL c N +36032 C CA A VAL U 392 ? 0.8946 0.6503 0.6578 0.0357 -0.0119 -0.0010 410 VAL c CA +36033 C CA B VAL U 392 ? 0.8941 0.6504 0.6577 0.0357 -0.0119 -0.0010 410 VAL c CA +36034 C C A VAL U 392 ? 0.8509 0.6039 0.6132 0.0306 -0.0126 -0.0018 410 VAL c C +36035 C C B VAL U 392 ? 0.8498 0.6035 0.6127 0.0305 -0.0126 -0.0018 410 VAL c C +36036 O O A VAL U 392 ? 0.8570 0.6012 0.6130 0.0295 -0.0129 -0.0029 410 VAL c O +36037 O O B VAL U 392 ? 0.8564 0.6013 0.6130 0.0294 -0.0129 -0.0028 410 VAL c O +36038 C CB A VAL U 392 ? 0.8960 0.6542 0.6626 0.0354 -0.0122 0.0005 410 VAL c CB +36039 C CB B VAL U 392 ? 0.8964 0.6553 0.6634 0.0354 -0.0122 0.0005 410 VAL c CB +36040 C CG1 A VAL U 392 ? 0.8314 0.5940 0.6001 0.0404 -0.0117 0.0012 410 VAL c CG1 +36041 C CG1 B VAL U 392 ? 0.8303 0.5922 0.5984 0.0407 -0.0117 0.0012 410 VAL c CG1 +36042 C CG2 A VAL U 392 ? 0.8075 0.5562 0.5684 0.0337 -0.0126 0.0005 410 VAL c CG2 +36043 C CG2 B VAL U 392 ? 0.8010 0.5510 0.5630 0.0331 -0.0126 0.0005 410 VAL c CG2 +36044 N N A ALA U 393 ? 0.8477 0.6082 0.6164 0.0274 -0.0129 -0.0014 411 ALA c N +36045 N N B ALA U 393 ? 0.8482 0.6093 0.6174 0.0273 -0.0129 -0.0014 411 ALA c N +36046 C CA A ALA U 393 ? 0.8994 0.6587 0.6680 0.0228 -0.0137 -0.0023 411 ALA c CA +36047 C CA B ALA U 393 ? 0.9015 0.6613 0.6706 0.0227 -0.0137 -0.0023 411 ALA c CA +36048 C C A ALA U 393 ? 0.8236 0.5763 0.5895 0.0192 -0.0143 -0.0025 411 ALA c C +36049 C C B ALA U 393 ? 0.8223 0.5757 0.5887 0.0191 -0.0143 -0.0024 411 ALA c C +36050 O O A ALA U 393 ? 0.8380 0.5872 0.6019 0.0158 -0.0149 -0.0036 411 ALA c O +36051 O O B ALA U 393 ? 0.8405 0.5906 0.6052 0.0155 -0.0149 -0.0035 411 ALA c O +36052 C CB A ALA U 393 ? 0.8327 0.6018 0.6089 0.0206 -0.0140 -0.0018 411 ALA c CB +36053 C CB B ALA U 393 ? 0.8318 0.6013 0.6083 0.0205 -0.0140 -0.0017 411 ALA c CB +36054 N N A THR U 394 ? 0.8153 0.5664 0.5810 0.0198 -0.0141 -0.0014 412 THR c N +36055 N N B THR U 394 ? 0.8135 0.5650 0.5796 0.0198 -0.0141 -0.0014 412 THR c N +36056 C CA A THR U 394 ? 0.8660 0.6110 0.6292 0.0164 -0.0143 -0.0014 412 THR c CA +36057 C CA B THR U 394 ? 0.8666 0.6120 0.6301 0.0165 -0.0143 -0.0013 412 THR c CA +36058 C C A THR U 394 ? 0.8929 0.6267 0.6475 0.0180 -0.0141 -0.0020 412 THR c C +36059 C C B THR U 394 ? 0.8946 0.6288 0.6496 0.0180 -0.0141 -0.0020 412 THR c C +36060 O O A THR U 394 ? 0.8370 0.5645 0.5886 0.0153 -0.0141 -0.0020 412 THR c O +36061 O O B THR U 394 ? 0.8378 0.5657 0.5897 0.0153 -0.0141 -0.0020 412 THR c O +36062 C CB A THR U 394 ? 0.8356 0.5847 0.6031 0.0159 -0.0142 0.0002 412 THR c CB +36063 C CB B THR U 394 ? 0.8359 0.5853 0.6036 0.0163 -0.0142 0.0003 412 THR c CB +36064 O OG1 A THR U 394 ? 0.7993 0.5490 0.5660 0.0208 -0.0138 0.0011 412 THR c OG1 +36065 O OG1 B THR U 394 ? 0.7975 0.5482 0.5647 0.0213 -0.0137 0.0011 412 THR c OG1 +36066 C CG2 A THR U 394 ? 0.8636 0.6231 0.6393 0.0137 -0.0145 0.0008 412 THR c CG2 +36067 C CG2 B THR U 394 ? 0.8645 0.6241 0.6404 0.0137 -0.0145 0.0009 412 THR c CG2 +36068 N N A GLU U 395 ? 0.8056 0.5367 0.5563 0.0223 -0.0137 -0.0026 413 GLU c N +36069 N N B GLU U 395 ? 0.8044 0.5358 0.5553 0.0222 -0.0137 -0.0026 413 GLU c N +36070 C CA A GLU U 395 ? 0.8522 0.5725 0.5945 0.0244 -0.0134 -0.0032 413 GLU c CA +36071 C CA B GLU U 395 ? 0.8520 0.5726 0.5945 0.0242 -0.0135 -0.0032 413 GLU c CA +36072 C C A GLU U 395 ? 0.8986 0.6115 0.6361 0.0206 -0.0139 -0.0048 413 GLU c C +36073 C C B GLU U 395 ? 0.9001 0.6132 0.6378 0.0205 -0.0139 -0.0048 413 GLU c C +36074 O O A GLU U 395 ? 0.8568 0.5732 0.5969 0.0178 -0.0144 -0.0057 413 GLU c O +36075 O O B GLU U 395 ? 0.8574 0.5739 0.5977 0.0177 -0.0144 -0.0057 413 GLU c O +36076 C CB A GLU U 395 ? 0.8164 0.5367 0.5562 0.0301 -0.0129 -0.0035 413 GLU c CB +36077 C CB B GLU U 395 ? 0.8132 0.5337 0.5533 0.0300 -0.0129 -0.0035 413 GLU c CB +36078 C CG A GLU U 395 ? 1.0099 0.7193 0.7411 0.0332 -0.0126 -0.0040 413 GLU c CG +36079 C CG B GLU U 395 ? 1.0125 0.7222 0.7439 0.0331 -0.0126 -0.0040 413 GLU c CG +36080 C CD A GLU U 395 ? 0.9467 0.6524 0.6762 0.0339 -0.0125 -0.0027 413 GLU c CD +36081 C CD B GLU U 395 ? 0.9465 0.6526 0.6763 0.0340 -0.0125 -0.0027 413 GLU c CD +36082 O OE1 A GLU U 395 ? 0.9648 0.6652 0.6922 0.0300 -0.0127 -0.0026 413 GLU c OE1 +36083 O OE1 B GLU U 395 ? 0.9665 0.6671 0.6940 0.0301 -0.0127 -0.0026 413 GLU c OE1 +36084 O OE2 A GLU U 395 ? 0.9735 0.6816 0.7037 0.0385 -0.0123 -0.0018 413 GLU c OE2 +36085 O OE2 B GLU U 395 ? 0.9742 0.6831 0.7050 0.0385 -0.0123 -0.0018 413 GLU c OE2 +36086 N N A ILE U 396 ? 0.8561 0.5585 0.5865 0.0204 -0.0137 -0.0051 414 ILE c N +36087 N N B ILE U 396 ? 0.8547 0.5573 0.5853 0.0203 -0.0137 -0.0051 414 ILE c N +36088 C CA A ILE U 396 ? 0.9467 0.6412 0.6721 0.0169 -0.0141 -0.0067 414 ILE c CA +36089 C CA B ILE U 396 ? 0.9477 0.6423 0.6731 0.0168 -0.0141 -0.0067 414 ILE c CA +36090 C C A ILE U 396 ? 0.9573 0.6471 0.6771 0.0200 -0.0140 -0.0082 414 ILE c C +36091 C C B ILE U 396 ? 0.9594 0.6493 0.6793 0.0200 -0.0140 -0.0082 414 ILE c C +36092 O O A ILE U 396 ? 0.8674 0.5579 0.5858 0.0253 -0.0135 -0.0078 414 ILE c O +36093 O O B ILE U 396 ? 0.8670 0.5579 0.5857 0.0252 -0.0135 -0.0078 414 ILE c O +36094 C CB A ILE U 396 ? 0.9415 0.6261 0.6613 0.0149 -0.0138 -0.0065 414 ILE c CB +36095 C CB B ILE U 396 ? 0.9424 0.6273 0.6624 0.0148 -0.0138 -0.0065 414 ILE c CB +36096 C CG1 A ILE U 396 ? 0.8502 0.5283 0.5640 0.0201 -0.0131 -0.0058 414 ILE c CG1 +36097 C CG1 B ILE U 396 ? 0.8480 0.5259 0.5616 0.0200 -0.0132 -0.0059 414 ILE c CG1 +36098 C CG2 A ILE U 396 ? 0.8810 0.5701 0.6062 0.0111 -0.0137 -0.0053 414 ILE c CG2 +36099 C CG2 B ILE U 396 ? 0.8805 0.5698 0.6059 0.0111 -0.0137 -0.0052 414 ILE c CG2 +36100 C CD1 A ILE U 396 ? 0.9164 0.5826 0.6227 0.0186 -0.0128 -0.0059 414 ILE c CD1 +36101 C CD1 B ILE U 396 ? 0.9157 0.5825 0.6225 0.0184 -0.0128 -0.0058 414 ILE c CD1 +36102 N N . ASN U 397 ? 0.8898 0.5747 0.6063 0.0168 -0.0146 -0.0099 415 ASN c N +36103 C CA . ASN U 397 ? 0.9182 0.5971 0.6284 0.0193 -0.0146 -0.0114 415 ASN c CA +36104 C C . ASN U 397 ? 0.9558 0.6246 0.6581 0.0228 -0.0139 -0.0113 415 ASN c C +36105 O O . ASN U 397 ? 0.8871 0.5502 0.5869 0.0212 -0.0137 -0.0107 415 ASN c O +36106 C CB . ASN U 397 ? 0.8733 0.5480 0.5811 0.0146 -0.0155 -0.0133 415 ASN c CB +36107 C CG . ASN U 397 ? 1.0178 0.7009 0.7308 0.0134 -0.0163 -0.0140 415 ASN c CG +36108 O OD1 . ASN U 397 ? 0.9205 0.6039 0.6313 0.0165 -0.0162 -0.0148 415 ASN c OD1 +36109 N ND2 . ASN U 397 ? 0.8991 0.5890 0.6188 0.0090 -0.0170 -0.0137 415 ASN c ND2 +36110 N N . SER U 398 ? 0.8803 0.5471 0.5788 0.0279 -0.0135 -0.0119 416 SER c N +36111 C CA . SER U 398 ? 0.9928 0.6497 0.6832 0.0320 -0.0129 -0.0120 416 SER c CA +36112 C C . SER U 398 ? 0.9731 0.6321 0.6621 0.0379 -0.0124 -0.0124 416 SER c C +36113 O O . SER U 398 ? 1.0133 0.6639 0.6949 0.0402 -0.0121 -0.0137 416 SER c O +36114 C CB . SER U 398 ? 0.9396 0.5950 0.6298 0.0336 -0.0125 -0.0103 416 SER c CB +36115 O OG . SER U 398 ? 1.0095 0.6564 0.6955 0.0297 -0.0126 -0.0103 416 SER c OG +36116 N N . VAL U 399 ? 0.9016 0.5714 0.5977 0.0403 -0.0120 -0.0114 417 VAL c N +36117 C CA . VAL U 399 ? 0.9139 0.5868 0.6096 0.0460 -0.0112 -0.0115 417 VAL c CA +36118 C C . VAL U 399 ? 1.0665 0.7461 0.7658 0.0450 -0.0113 -0.0124 417 VAL c C +36119 O O . VAL U 399 ? 1.0305 0.7192 0.7372 0.0423 -0.0116 -0.0118 417 VAL c O +36120 C CB . VAL U 399 ? 0.9599 0.6402 0.6609 0.0498 -0.0107 -0.0098 417 VAL c CB +36121 C CG1 . VAL U 399 ? 0.9296 0.6140 0.6310 0.0555 -0.0098 -0.0101 417 VAL c CG1 +36122 C CG2 . VAL U 399 ? 0.8839 0.5571 0.5808 0.0510 -0.0108 -0.0089 417 VAL c CG2 +36123 N N . ASN U 400 ? 0.9662 0.6412 0.6600 0.0475 -0.0109 -0.0139 418 ASN c N +36124 C CA . ASN U 400 ? 0.8916 0.5709 0.5868 0.0469 -0.0109 -0.0150 418 ASN c CA +36125 C C . ASN U 400 ? 0.9344 0.6210 0.6327 0.0523 -0.0096 -0.0144 418 ASN c C +36126 O O . ASN U 400 ? 0.9675 0.6497 0.6607 0.0569 -0.0088 -0.0152 418 ASN c O +36127 C CB . ASN U 400 ? 0.8903 0.5592 0.5769 0.0463 -0.0113 -0.0171 418 ASN c CB +36128 C CG . ASN U 400 ? 1.0279 0.6999 0.7148 0.0455 -0.0115 -0.0183 418 ASN c CG +36129 O OD1 . ASN U 400 ? 1.0643 0.7295 0.7444 0.0473 -0.0113 -0.0199 418 ASN c OD1 +36130 N ND2 . ASN U 400 ? 0.8908 0.5725 0.5851 0.0428 -0.0119 -0.0177 418 ASN c ND2 +36131 N N A PHE U 401 ? 0.9237 0.6215 0.6306 0.0516 -0.0094 -0.0132 419 PHE c N +36132 N N B PHE U 401 ? 0.9239 0.6217 0.6308 0.0517 -0.0094 -0.0131 419 PHE c N +36133 C CA A PHE U 401 ? 0.9430 0.6486 0.6539 0.0563 -0.0081 -0.0124 419 PHE c CA +36134 C CA B PHE U 401 ? 0.9439 0.6496 0.6549 0.0564 -0.0081 -0.0124 419 PHE c CA +36135 C C A PHE U 401 ? 1.0014 0.7188 0.7211 0.0543 -0.0080 -0.0115 419 PHE c C +36136 C C B PHE U 401 ? 1.0047 0.7220 0.7244 0.0543 -0.0080 -0.0115 419 PHE c C +36137 O O A PHE U 401 ? 0.9575 0.6791 0.6825 0.0508 -0.0088 -0.0104 419 PHE c O +36138 O O B PHE U 401 ? 0.9606 0.6821 0.6855 0.0507 -0.0088 -0.0104 419 PHE c O +36139 C CB A PHE U 401 ? 0.8633 0.5687 0.5748 0.0599 -0.0078 -0.0112 419 PHE c CB +36140 C CB B PHE U 401 ? 0.8615 0.5671 0.5732 0.0599 -0.0078 -0.0112 419 PHE c CB +36141 C CG A PHE U 401 ? 0.8774 0.5920 0.5943 0.0643 -0.0066 -0.0104 419 PHE c CG +36142 C CG B PHE U 401 ? 0.8763 0.5912 0.5935 0.0643 -0.0066 -0.0104 419 PHE c CG +36143 C CD1 A PHE U 401 ? 0.8479 0.5617 0.5618 0.0694 -0.0053 -0.0113 419 PHE c CD1 +36144 C CD1 B PHE U 401 ? 0.8458 0.5601 0.5601 0.0693 -0.0053 -0.0112 419 PHE c CD1 +36145 C CD2 A PHE U 401 ? 0.8775 0.6016 0.6027 0.0634 -0.0067 -0.0089 419 PHE c CD2 +36146 C CD2 B PHE U 401 ? 0.8776 0.6020 0.6030 0.0634 -0.0067 -0.0088 419 PHE c CD2 +36147 C CE1 A PHE U 401 ? 0.9047 0.6274 0.6240 0.0733 -0.0041 -0.0106 419 PHE c CE1 +36148 C CE1 B PHE U 401 ? 0.9039 0.6270 0.6235 0.0732 -0.0041 -0.0105 419 PHE c CE1 +36149 C CE2 A PHE U 401 ? 0.8758 0.6086 0.6063 0.0673 -0.0056 -0.0082 419 PHE c CE2 +36150 C CE2 B PHE U 401 ? 0.8751 0.6082 0.6059 0.0673 -0.0056 -0.0081 419 PHE c CE2 +36151 C CZ A PHE U 401 ? 0.8891 0.6213 0.6168 0.0722 -0.0043 -0.0091 419 PHE c CZ +36152 C CZ B PHE U 401 ? 0.8888 0.6214 0.6168 0.0721 -0.0043 -0.0090 419 PHE c CZ +36153 N N A VAL U 402 ? 0.9256 0.6480 0.6467 0.0565 -0.0070 -0.0119 420 VAL c N +36154 N N B VAL U 402 ? 0.9268 0.6492 0.6479 0.0565 -0.0070 -0.0119 420 VAL c N +36155 C CA A VAL U 402 ? 0.8405 0.5745 0.5698 0.0564 -0.0063 -0.0108 420 VAL c CA +36156 C CA B VAL U 402 ? 0.8384 0.5723 0.5676 0.0563 -0.0063 -0.0108 420 VAL c CA +36157 C C A VAL U 402 ? 0.8799 0.6173 0.6093 0.0619 -0.0045 -0.0109 420 VAL c C +36158 C C B VAL U 402 ? 0.8802 0.6176 0.6097 0.0618 -0.0045 -0.0109 420 VAL c C +36159 O O A VAL U 402 ? 0.9433 0.6759 0.6670 0.0644 -0.0038 -0.0122 420 VAL c O +36160 O O B VAL U 402 ? 0.9453 0.6780 0.6691 0.0643 -0.0038 -0.0122 420 VAL c O +36161 C CB A VAL U 402 ? 0.9455 0.6831 0.6770 0.0524 -0.0068 -0.0112 420 VAL c CB +36162 C CB B VAL U 402 ? 0.9481 0.6852 0.6793 0.0522 -0.0069 -0.0112 420 VAL c CB +36163 C CG1 A VAL U 402 ? 0.8055 0.5541 0.5440 0.0536 -0.0056 -0.0102 420 VAL c CG1 +36164 C CG1 B VAL U 402 ? 0.8048 0.5530 0.5431 0.0531 -0.0058 -0.0103 420 VAL c CG1 +36165 C CG2 A VAL U 402 ? 0.8507 0.5878 0.5845 0.0469 -0.0085 -0.0108 420 VAL c CG2 +36166 C CG2 B VAL U 402 ? 0.8517 0.5881 0.5851 0.0467 -0.0086 -0.0109 420 VAL c CG2 +36167 N N A SER U 403 ? 0.8712 0.6169 0.6073 0.0639 -0.0038 -0.0096 421 SER c N +36168 N N B SER U 403 ? 0.8721 0.6177 0.6081 0.0638 -0.0038 -0.0096 421 SER c N +36169 C CA A SER U 403 ? 0.8725 0.6220 0.6094 0.0692 -0.0021 -0.0096 421 SER c CA +36170 C CA B SER U 403 ? 0.8721 0.6217 0.6091 0.0691 -0.0021 -0.0096 421 SER c CA +36171 C C A SER U 403 ? 0.9509 0.7036 0.6876 0.0698 -0.0007 -0.0104 421 SER c C +36172 C C B SER U 403 ? 0.9521 0.7048 0.6888 0.0696 -0.0008 -0.0104 421 SER c C +36173 O O A SER U 403 ? 0.9023 0.6598 0.6427 0.0662 -0.0010 -0.0101 421 SER c O +36174 O O B SER U 403 ? 0.9041 0.6615 0.6444 0.0660 -0.0010 -0.0101 421 SER c O +36175 C CB A SER U 403 ? 0.8478 0.6068 0.5928 0.0705 -0.0017 -0.0082 421 SER c CB +36176 C CB B SER U 403 ? 0.8465 0.6057 0.5916 0.0703 -0.0017 -0.0081 421 SER c CB +36177 O OG A SER U 403 ? 0.8713 0.6354 0.6181 0.0752 0.0002 -0.0083 421 SER c OG +36178 O OG B SER U 403 ? 0.8717 0.6360 0.6186 0.0750 0.0001 -0.0083 421 SER c OG +36179 N N A PRO U 404 ? 0.9304 0.6809 0.6631 0.0744 0.0008 -0.0114 422 PRO c N +36180 N N B PRO U 404 ? 0.9309 0.6813 0.6636 0.0742 0.0007 -0.0114 422 PRO c N +36181 C CA A PRO U 404 ? 0.9564 0.7112 0.6897 0.0755 0.0024 -0.0119 422 PRO c CA +36182 C CA B PRO U 404 ? 0.9585 0.7132 0.6917 0.0754 0.0024 -0.0119 422 PRO c CA +36183 C C A PRO U 404 ? 0.8992 0.6657 0.6413 0.0745 0.0033 -0.0106 422 PRO c C +36184 C C B PRO U 404 ? 0.8994 0.6658 0.6415 0.0743 0.0033 -0.0106 422 PRO c C +36185 O O A PRO U 404 ? 0.8541 0.6239 0.5973 0.0727 0.0040 -0.0107 422 PRO c O +36186 O O B PRO U 404 ? 0.8548 0.6246 0.5980 0.0727 0.0040 -0.0107 422 PRO c O +36187 C CB A PRO U 404 ? 0.8459 0.5978 0.5749 0.0814 0.0041 -0.0128 422 PRO c CB +36188 C CB B PRO U 404 ? 0.8438 0.5959 0.5730 0.0814 0.0041 -0.0128 422 PRO c CB +36189 C CG A PRO U 404 ? 0.9673 0.7097 0.6904 0.0826 0.0028 -0.0133 422 PRO c CG +36190 C CG B PRO U 404 ? 0.9687 0.7109 0.6918 0.0824 0.0028 -0.0133 422 PRO c CG +36191 C CD A PRO U 404 ? 0.9322 0.6764 0.6598 0.0791 0.0011 -0.0120 422 PRO c CD +36192 C CD B PRO U 404 ? 0.9328 0.6767 0.6602 0.0788 0.0010 -0.0120 422 PRO c CD +36193 N N A ARG U 405 ? 0.8977 0.6703 0.6460 0.0755 0.0033 -0.0094 423 ARG c N +36194 N N B ARG U 405 ? 0.8979 0.6704 0.6462 0.0752 0.0032 -0.0094 423 ARG c N +36195 C CA A ARG U 405 ? 0.8924 0.6762 0.6494 0.0744 0.0042 -0.0082 423 ARG c CA +36196 C CA B ARG U 405 ? 0.8931 0.6767 0.6500 0.0742 0.0042 -0.0082 423 ARG c CA +36197 C C A ARG U 405 ? 0.8424 0.6285 0.6023 0.0688 0.0029 -0.0075 423 ARG c C +36198 C C B ARG U 405 ? 0.8418 0.6279 0.6017 0.0687 0.0029 -0.0075 423 ARG c C +36199 O O A ARG U 405 ? 0.8625 0.6555 0.6268 0.0675 0.0039 -0.0070 423 ARG c O +36200 O O B ARG U 405 ? 0.8648 0.6578 0.6292 0.0674 0.0039 -0.0070 423 ARG c O +36201 C CB A ARG U 405 ? 0.9617 0.7509 0.7244 0.0764 0.0041 -0.0071 423 ARG c CB +36202 C CB B ARG U 405 ? 0.9639 0.7529 0.7265 0.0763 0.0041 -0.0072 423 ARG c CB +36203 C CG A ARG U 405 ? 0.9708 0.7592 0.7316 0.0824 0.0053 -0.0078 423 ARG c CG +36204 C CG B ARG U 405 ? 0.9750 0.7637 0.7360 0.0822 0.0054 -0.0078 423 ARG c CG +36205 C CD A ARG U 405 ? 0.8309 0.6270 0.5987 0.0844 0.0054 -0.0068 423 ARG c CD +36206 C CD B ARG U 405 ? 0.8304 0.6269 0.5984 0.0843 0.0055 -0.0068 423 ARG c CD +36207 N NE A ARG U 405 ? 0.8821 0.6773 0.6481 0.0902 0.0063 -0.0074 423 ARG c NE +36208 N NE B ARG U 405 ? 0.8825 0.6779 0.6486 0.0900 0.0064 -0.0074 423 ARG c NE +36209 C CZ A ARG U 405 ? 0.8823 0.6842 0.6518 0.0939 0.0083 -0.0077 423 ARG c CZ +36210 C CZ B ARG U 405 ? 0.8831 0.6852 0.6527 0.0938 0.0084 -0.0077 423 ARG c CZ +36211 N NH1 A ARG U 405 ? 0.8494 0.6592 0.6239 0.0924 0.0099 -0.0074 423 ARG c NH1 +36212 N NH1 B ARG U 405 ? 0.8487 0.6591 0.6237 0.0924 0.0100 -0.0074 423 ARG c NH1 +36213 N NH2 A ARG U 405 ? 0.8586 0.6595 0.6265 0.0992 0.0089 -0.0083 423 ARG c NH2 +36214 N NH2 B ARG U 405 ? 0.8585 0.6593 0.6263 0.0991 0.0089 -0.0083 423 ARG c NH2 +36215 N N A SER U 406 ? 0.8670 0.6473 0.6246 0.0655 0.0009 -0.0075 424 SER c N +36216 N N B SER U 406 ? 0.8672 0.6477 0.6249 0.0653 0.0009 -0.0075 424 SER c N +36217 C CA A SER U 406 ? 0.9194 0.7017 0.6796 0.0603 -0.0004 -0.0070 424 SER c CA +36218 C CA B SER U 406 ? 0.9210 0.7035 0.6814 0.0601 -0.0004 -0.0070 424 SER c CA +36219 C C A SER U 406 ? 0.8403 0.6198 0.5963 0.0589 -0.0002 -0.0081 424 SER c C +36220 C C B SER U 406 ? 0.8396 0.6193 0.5958 0.0587 -0.0002 -0.0081 424 SER c C +36221 O O A SER U 406 ? 0.8572 0.6420 0.6168 0.0565 0.0000 -0.0076 424 SER c O +36222 O O B SER U 406 ? 0.8583 0.6434 0.6182 0.0563 -0.0001 -0.0076 424 SER c O +36223 C CB A SER U 406 ? 0.7867 0.5637 0.5456 0.0570 -0.0025 -0.0069 424 SER c CB +36224 C CB B SER U 406 ? 0.7846 0.5616 0.5435 0.0569 -0.0025 -0.0069 424 SER c CB +36225 O OG A SER U 406 ? 0.8729 0.6534 0.6363 0.0577 -0.0028 -0.0057 424 SER c OG +36226 O OG B SER U 406 ? 0.8744 0.6547 0.6377 0.0576 -0.0028 -0.0057 424 SER c OG +36227 N N A TRP U 407 ? 0.8698 0.6405 0.6179 0.0604 -0.0003 -0.0096 425 TRP c N +36228 N N B TRP U 407 ? 0.8697 0.6406 0.6180 0.0602 -0.0004 -0.0095 425 TRP c N +36229 C CA A TRP U 407 ? 0.8650 0.6326 0.6085 0.0595 -0.0002 -0.0107 425 TRP c CA +36230 C CA B TRP U 407 ? 0.8649 0.6325 0.6084 0.0593 -0.0002 -0.0107 425 TRP c CA +36231 C C A TRP U 407 ? 0.8616 0.6362 0.6079 0.0615 0.0020 -0.0104 425 TRP c C +36232 C C B TRP U 407 ? 0.8621 0.6366 0.6083 0.0614 0.0019 -0.0104 425 TRP c C +36233 O O A TRP U 407 ? 0.8692 0.6462 0.6161 0.0592 0.0019 -0.0104 425 TRP c O +36234 O O B TRP U 407 ? 0.8699 0.6468 0.6167 0.0591 0.0019 -0.0104 425 TRP c O +36235 C CB A TRP U 407 ? 0.8380 0.5951 0.5723 0.0616 -0.0003 -0.0124 425 TRP c CB +36236 C CB B TRP U 407 ? 0.8370 0.5943 0.5716 0.0616 -0.0003 -0.0123 425 TRP c CB +36237 C CG A TRP U 407 ? 0.8308 0.5796 0.5610 0.0587 -0.0025 -0.0130 425 TRP c CG +36238 C CG B TRP U 407 ? 0.8307 0.5795 0.5609 0.0587 -0.0025 -0.0130 425 TRP c CG +36239 C CD1 A TRP U 407 ? 0.8052 0.5465 0.5307 0.0606 -0.0028 -0.0135 425 TRP c CD1 +36240 C CD1 B TRP U 407 ? 0.8040 0.5452 0.5294 0.0605 -0.0028 -0.0135 425 TRP c CD1 +36241 C CD2 A TRP U 407 ? 0.8031 0.5499 0.5332 0.0535 -0.0045 -0.0133 425 TRP c CD2 +36242 C CD2 B TRP U 407 ? 0.8023 0.5493 0.5325 0.0535 -0.0045 -0.0133 425 TRP c CD2 +36243 N NE1 A TRP U 407 ? 0.9051 0.6398 0.6276 0.0567 -0.0048 -0.0141 425 TRP c NE1 +36244 N NE1 B TRP U 407 ? 0.9072 0.6418 0.6296 0.0566 -0.0048 -0.0141 425 TRP c NE1 +36245 C CE2 A TRP U 407 ? 0.7883 0.5265 0.5137 0.0523 -0.0058 -0.0140 425 TRP c CE2 +36246 C CE2 B TRP U 407 ? 0.7860 0.5244 0.5115 0.0522 -0.0058 -0.0140 425 TRP c CE2 +36247 C CE3 A TRP U 407 ? 0.8621 0.6136 0.5956 0.0498 -0.0053 -0.0130 425 TRP c CE3 +36248 C CE3 B TRP U 407 ? 0.8623 0.6142 0.5961 0.0499 -0.0052 -0.0130 425 TRP c CE3 +36249 C CZ2 A TRP U 407 ? 0.8586 0.5933 0.5832 0.0474 -0.0078 -0.0145 425 TRP c CZ2 +36250 C CZ2 B TRP U 407 ? 0.8599 0.5949 0.5846 0.0473 -0.0078 -0.0145 425 TRP c CZ2 +36251 C CZ3 A TRP U 407 ? 0.8399 0.5881 0.5726 0.0452 -0.0074 -0.0135 425 TRP c CZ3 +36252 C CZ3 B TRP U 407 ? 0.8399 0.5884 0.5728 0.0453 -0.0074 -0.0135 425 TRP c CZ3 +36253 C CH2 A TRP U 407 ? 0.8028 0.5428 0.5312 0.0439 -0.0086 -0.0143 425 TRP c CH2 +36254 C CH2 B TRP U 407 ? 0.8003 0.5408 0.5290 0.0440 -0.0086 -0.0142 425 TRP c CH2 +36255 N N A LEU U 408 ? 0.8641 0.6424 0.6123 0.0658 0.0039 -0.0101 426 LEU c N +36256 N N B LEU U 408 ? 0.8656 0.6438 0.6137 0.0657 0.0039 -0.0101 426 LEU c N +36257 C CA A LEU U 408 ? 0.8268 0.6115 0.5773 0.0680 0.0063 -0.0099 426 LEU c CA +36258 C CA B LEU U 408 ? 0.8261 0.6105 0.5764 0.0680 0.0063 -0.0099 426 LEU c CA +36259 C C A LEU U 408 ? 0.8796 0.6741 0.6385 0.0656 0.0067 -0.0084 426 LEU c C +36260 C C B LEU U 408 ? 0.8810 0.6753 0.6398 0.0655 0.0066 -0.0084 426 LEU c C +36261 O O A LEU U 408 ? 0.8933 0.6916 0.6533 0.0649 0.0079 -0.0082 426 LEU c O +36262 O O B LEU U 408 ? 0.8960 0.6942 0.6557 0.0650 0.0079 -0.0082 426 LEU c O +36263 C CB A LEU U 408 ? 0.7891 0.5747 0.5391 0.0734 0.0083 -0.0102 426 LEU c CB +36264 C CB B LEU U 408 ? 0.7871 0.5724 0.5371 0.0734 0.0082 -0.0102 426 LEU c CB +36265 C CG A LEU U 408 ? 0.9936 0.7697 0.7346 0.0765 0.0086 -0.0119 426 LEU c CG +36266 C CG B LEU U 408 ? 0.9986 0.7749 0.7396 0.0765 0.0087 -0.0119 426 LEU c CG +36267 C CD1 A LEU U 408 ? 0.8745 0.6508 0.6152 0.0819 0.0101 -0.0122 426 LEU c CD1 +36268 C CD1 B LEU U 408 ? 0.8772 0.6540 0.6179 0.0820 0.0103 -0.0123 426 LEU c CD1 +36269 C CD2 A LEU U 408 ? 0.8439 0.6182 0.5804 0.0765 0.0098 -0.0129 426 LEU c CD2 +36270 C CD2 B LEU U 408 ? 0.8208 0.5964 0.5582 0.0762 0.0099 -0.0127 426 LEU c CD2 +36271 N N A ALA U 409 ? 0.8345 0.6330 0.5992 0.0642 0.0057 -0.0072 427 ALA c N +36272 N N B ALA U 409 ? 0.8355 0.6337 0.6000 0.0641 0.0056 -0.0073 427 ALA c N +36273 C CA A ALA U 409 ? 0.7805 0.5881 0.5531 0.0619 0.0060 -0.0058 427 ALA c CA +36274 C CA B ALA U 409 ? 0.7796 0.5870 0.5520 0.0618 0.0059 -0.0058 427 ALA c CA +36275 C C A ALA U 409 ? 0.7378 0.5450 0.5105 0.0572 0.0045 -0.0056 427 ALA c C +36276 C C B ALA U 409 ? 0.7358 0.5430 0.5085 0.0570 0.0045 -0.0056 427 ALA c C +36277 O O A ALA U 409 ? 0.7837 0.5966 0.5598 0.0559 0.0054 -0.0049 427 ALA c O +36278 O O B ALA U 409 ? 0.7838 0.5969 0.5602 0.0557 0.0053 -0.0049 427 ALA c O +36279 C CB A ALA U 409 ? 0.7516 0.5632 0.5301 0.0618 0.0051 -0.0048 427 ALA c CB +36280 C CB B ALA U 409 ? 0.7519 0.5634 0.5302 0.0618 0.0052 -0.0048 427 ALA c CB +36281 N N A THR U 410 ? 0.7631 0.5635 0.5320 0.0547 0.0023 -0.0062 428 THR c N +36282 N N B THR U 410 ? 0.7616 0.5619 0.5304 0.0545 0.0022 -0.0062 428 THR c N +36283 C CA A THR U 410 ? 0.8339 0.6342 0.6033 0.0502 0.0007 -0.0060 428 THR c CA +36284 C CA B THR U 410 ? 0.8344 0.6348 0.6038 0.0500 0.0006 -0.0060 428 THR c CA +36285 C C A THR U 410 ? 0.8478 0.6464 0.6129 0.0501 0.0013 -0.0069 428 THR c C +36286 C C B THR U 410 ? 0.8487 0.6472 0.6137 0.0500 0.0012 -0.0069 428 THR c C +36287 O O A THR U 410 ? 0.8282 0.6315 0.5962 0.0481 0.0014 -0.0062 428 THR c O +36288 O O B THR U 410 ? 0.8309 0.6338 0.5986 0.0479 0.0013 -0.0063 428 THR c O +36289 C CB A THR U 410 ? 0.8233 0.6169 0.5898 0.0475 -0.0018 -0.0066 428 THR c CB +36290 C CB B THR U 410 ? 0.8220 0.6158 0.5887 0.0473 -0.0018 -0.0066 428 THR c CB +36291 O OG1 A THR U 410 ? 0.8711 0.6560 0.6299 0.0495 -0.0019 -0.0081 428 THR c OG1 +36292 O OG1 B THR U 410 ? 0.8730 0.6580 0.6319 0.0492 -0.0020 -0.0081 428 THR c OG1 +36293 C CG2 A THR U 410 ? 0.7705 0.5665 0.5418 0.0469 -0.0025 -0.0056 428 THR c CG2 +36294 C CG2 B THR U 410 ? 0.7695 0.5657 0.5408 0.0470 -0.0024 -0.0055 428 THR c CG2 +36295 N N . SER U 411 ? 0.8420 0.6335 0.5997 0.0525 0.0016 -0.0083 429 SER c N +36296 C CA . SER U 411 ? 0.7933 0.5825 0.5461 0.0527 0.0022 -0.0092 429 SER c CA +36297 C C . SER U 411 ? 0.7708 0.5675 0.5273 0.0541 0.0046 -0.0083 429 SER c C +36298 O O . SER U 411 ? 0.8345 0.6329 0.5908 0.0523 0.0046 -0.0081 429 SER c O +36299 C CB . SER U 411 ? 0.9104 0.6915 0.6552 0.0559 0.0027 -0.0108 429 SER c CB +36300 O OG . SER U 411 ? 0.8919 0.6750 0.6375 0.0603 0.0050 -0.0107 429 SER c OG +36301 N N . HIS U 412 ? 0.8112 0.6127 0.5715 0.0572 0.0067 -0.0076 430 HIS c N +36302 C CA . HIS U 412 ? 0.7381 0.5464 0.5016 0.0585 0.0093 -0.0069 430 HIS c CA +36303 C C . HIS U 412 ? 0.9275 0.7438 0.6987 0.0556 0.0091 -0.0053 430 HIS c C +36304 O O . HIS U 412 ? 0.8059 0.6269 0.5789 0.0555 0.0108 -0.0047 430 HIS c O +36305 C CB . HIS U 412 ? 0.8228 0.6331 0.5870 0.0632 0.0117 -0.0071 430 HIS c CB +36306 C CG . HIS U 412 ? 0.9839 0.7872 0.7400 0.0664 0.0126 -0.0087 430 HIS c CG +36307 N ND1 . HIS U 412 ? 0.9349 0.7302 0.6854 0.0676 0.0113 -0.0099 430 HIS c ND1 +36308 C CD2 . HIS U 412 ? 0.8486 0.6514 0.6008 0.0684 0.0148 -0.0093 430 HIS c CD2 +36309 C CE1 . HIS U 412 ? 0.9735 0.7636 0.7171 0.0703 0.0125 -0.0112 430 HIS c CE1 +36310 N NE2 . HIS U 412 ? 0.9338 0.7284 0.6784 0.0709 0.0147 -0.0109 430 HIS c NE2 +36311 N N A PHE U 413 ? 0.8245 0.6422 0.6000 0.0531 0.0071 -0.0046 431 PHE c N +36312 N N B PHE U 413 ? 0.8251 0.6429 0.6006 0.0531 0.0071 -0.0046 431 PHE c N +36313 C CA A PHE U 413 ? 0.8116 0.6358 0.5934 0.0499 0.0067 -0.0032 431 PHE c CA +36314 C CA B PHE U 413 ? 0.8121 0.6364 0.5939 0.0499 0.0067 -0.0032 431 PHE c CA +36315 C C A PHE U 413 ? 0.7670 0.5887 0.5460 0.0468 0.0053 -0.0035 431 PHE c C +36316 C C B PHE U 413 ? 0.7662 0.5879 0.5451 0.0468 0.0053 -0.0035 431 PHE c C +36317 O O A PHE U 413 ? 0.7992 0.6255 0.5807 0.0454 0.0060 -0.0026 431 PHE c O +36318 O O B PHE U 413 ? 0.8003 0.6266 0.5820 0.0453 0.0060 -0.0026 431 PHE c O +36319 C CB A PHE U 413 ? 0.7483 0.5748 0.5354 0.0480 0.0050 -0.0024 431 PHE c CB +36320 C CB B PHE U 413 ? 0.7472 0.5737 0.5343 0.0481 0.0050 -0.0024 431 PHE c CB +36321 C CG A PHE U 413 ? 0.7802 0.6139 0.5742 0.0452 0.0048 -0.0010 431 PHE c CG +36322 C CG B PHE U 413 ? 0.7813 0.6150 0.5753 0.0453 0.0049 -0.0010 431 PHE c CG +36323 C CD1 A PHE U 413 ? 0.7221 0.5552 0.5161 0.0415 0.0031 -0.0008 431 PHE c CD1 +36324 C CD1 B PHE U 413 ? 0.7211 0.5542 0.5152 0.0415 0.0031 -0.0008 431 PHE c CD1 +36325 C CD2 A PHE U 413 ? 0.7708 0.6121 0.5712 0.0464 0.0065 0.0000 431 PHE c CD2 +36326 C CD2 B PHE U 413 ? 0.7727 0.6140 0.5730 0.0465 0.0066 0.0000 431 PHE c CD2 +36327 C CE1 A PHE U 413 ? 0.7613 0.6008 0.5613 0.0392 0.0031 0.0005 431 PHE c CE1 +36328 C CE1 B PHE U 413 ? 0.7619 0.6014 0.5620 0.0391 0.0030 0.0005 431 PHE c CE1 +36329 C CE2 A PHE U 413 ? 0.7650 0.6126 0.5713 0.0438 0.0065 0.0013 431 PHE c CE2 +36330 C CE2 B PHE U 413 ? 0.7646 0.6123 0.5709 0.0439 0.0066 0.0013 431 PHE c CE2 +36331 C CZ A PHE U 413 ? 0.7637 0.6102 0.5697 0.0403 0.0048 0.0015 431 PHE c CZ +36332 C CZ B PHE U 413 ? 0.7648 0.6114 0.5709 0.0403 0.0048 0.0016 431 PHE c CZ +36333 N N . VAL U 414 ? 0.7624 0.5767 0.5358 0.0456 0.0032 -0.0047 432 VAL c N +36334 C CA . VAL U 414 ? 0.7768 0.5885 0.5471 0.0428 0.0016 -0.0051 432 VAL c CA +36335 C C . VAL U 414 ? 0.8154 0.6271 0.5820 0.0444 0.0034 -0.0054 432 VAL c C +36336 O O . VAL U 414 ? 0.8534 0.6678 0.6211 0.0425 0.0033 -0.0048 432 VAL c O +36337 C CB . VAL U 414 ? 0.8986 0.7019 0.6632 0.0416 -0.0008 -0.0066 432 VAL c CB +36338 C CG1 . VAL U 414 ? 0.8116 0.6117 0.5720 0.0394 -0.0023 -0.0074 432 VAL c CG1 +36339 C CG2 . VAL U 414 ? 0.8713 0.6748 0.6398 0.0393 -0.0026 -0.0062 432 VAL c CG2 +36340 N N . LEU U 415 ? 0.8956 0.7041 0.6575 0.0480 0.0052 -0.0063 433 LEU c N +36341 C CA . LEU U 415 ? 0.9040 0.7121 0.6619 0.0496 0.0071 -0.0065 433 LEU c CA +36342 C C . LEU U 415 ? 0.8780 0.6944 0.6417 0.0500 0.0096 -0.0050 433 LEU c C +36343 O O . LEU U 415 ? 0.8465 0.6642 0.6090 0.0491 0.0104 -0.0046 433 LEU c O +36344 C CB . LEU U 415 ? 0.8956 0.6984 0.6472 0.0534 0.0086 -0.0079 433 LEU c CB +36345 C CG . LEU U 415 ? 0.9326 0.7264 0.6773 0.0531 0.0064 -0.0096 433 LEU c CG +36346 C CD1 . LEU U 415 ? 0.8723 0.6616 0.6124 0.0572 0.0079 -0.0107 433 LEU c CD1 +36347 C CD2 . LEU U 415 ? 0.8810 0.6706 0.6199 0.0514 0.0051 -0.0104 433 LEU c CD2 +36348 N N . ALA U 416 ? 0.8664 0.6883 0.6362 0.0512 0.0109 -0.0042 434 ALA c N +36349 C CA . ALA U 416 ? 0.8801 0.7099 0.6556 0.0514 0.0133 -0.0028 434 ALA c CA +36350 C C . ALA U 416 ? 0.8288 0.6623 0.6083 0.0476 0.0121 -0.0016 434 ALA c C +36351 O O . ALA U 416 ? 0.7662 0.6039 0.5475 0.0472 0.0138 -0.0007 434 ALA c O +36352 C CB . ALA U 416 ? 0.8231 0.6581 0.6046 0.0534 0.0146 -0.0023 434 ALA c CB +36353 N N . PHE U 417 ? 0.8335 0.6653 0.6143 0.0448 0.0091 -0.0016 435 PHE c N +36354 C CA . PHE U 417 ? 0.8791 0.7141 0.6635 0.0413 0.0077 -0.0006 435 PHE c CA +36355 C C . PHE U 417 ? 0.8016 0.6335 0.5807 0.0403 0.0073 -0.0009 435 PHE c C +36356 O O . PHE U 417 ? 0.8179 0.6537 0.5991 0.0392 0.0083 0.0002 435 PHE c O +36357 C CB . PHE U 417 ? 0.7474 0.5812 0.5342 0.0386 0.0047 -0.0006 435 PHE c CB +36358 C CG . PHE U 417 ? 0.8791 0.7152 0.6685 0.0351 0.0030 0.0002 435 PHE c CG +36359 C CD1 . PHE U 417 ? 0.7998 0.6429 0.5955 0.0341 0.0041 0.0017 435 PHE c CD1 +36360 C CD2 . PHE U 417 ? 0.8405 0.6720 0.6261 0.0330 0.0005 -0.0006 435 PHE c CD2 +36361 C CE1 . PHE U 417 ? 0.8873 0.7323 0.6852 0.0311 0.0027 0.0024 435 PHE c CE1 +36362 C CE2 . PHE U 417 ? 0.8836 0.7174 0.6716 0.0300 -0.0010 0.0001 435 PHE c CE2 +36363 C CZ . PHE U 417 ? 0.8771 0.7176 0.6712 0.0292 0.0002 0.0016 435 PHE c CZ +36364 N N . PHE U 418 ? 0.7979 0.6226 0.5702 0.0406 0.0058 -0.0024 436 PHE c N +36365 C CA . PHE U 418 ? 0.8648 0.6861 0.6316 0.0397 0.0050 -0.0028 436 PHE c CA +36366 C C . PHE U 418 ? 0.9412 0.7637 0.7053 0.0420 0.0082 -0.0025 436 PHE c C +36367 O O . PHE U 418 ? 0.9050 0.7275 0.6670 0.0410 0.0082 -0.0021 436 PHE c O +36368 C CB . PHE U 418 ? 0.8348 0.6481 0.5946 0.0397 0.0028 -0.0047 436 PHE c CB +36369 C CG . PHE U 418 ? 0.8574 0.6692 0.6188 0.0363 -0.0006 -0.0050 436 PHE c CG +36370 C CD1 . PHE U 418 ? 0.8962 0.7106 0.6601 0.0335 -0.0022 -0.0043 436 PHE c CD1 +36371 C CD2 . PHE U 418 ? 0.8432 0.6507 0.6034 0.0361 -0.0022 -0.0061 436 PHE c CD2 +36372 C CE1 . PHE U 418 ? 1.0283 0.8417 0.7940 0.0304 -0.0053 -0.0047 436 PHE c CE1 +36373 C CE2 . PHE U 418 ? 0.8193 0.6254 0.5810 0.0328 -0.0052 -0.0065 436 PHE c CE2 +36374 C CZ . PHE U 418 ? 0.8601 0.6695 0.6248 0.0300 -0.0067 -0.0058 436 PHE c CZ +36375 N N . PHE U 419 ? 0.7810 0.6046 0.5452 0.0452 0.0109 -0.0027 437 PHE c N +36376 C CA . PHE U 419 ? 0.8326 0.6581 0.5950 0.0473 0.0142 -0.0023 437 PHE c CA +36377 C C . PHE U 419 ? 0.8670 0.7001 0.6360 0.0460 0.0160 -0.0004 437 PHE c C +36378 O O . PHE U 419 ? 0.8884 0.7226 0.6555 0.0464 0.0181 0.0001 437 PHE c O +36379 C CB . PHE U 419 ? 0.8518 0.6763 0.6124 0.0511 0.0166 -0.0031 437 PHE c CB +36380 C CG . PHE U 419 ? 0.8372 0.6537 0.5888 0.0530 0.0162 -0.0048 437 PHE c CG +36381 C CD1 . PHE U 419 ? 0.8492 0.6593 0.5969 0.0521 0.0131 -0.0061 437 PHE c CD1 +36382 C CD2 . PHE U 419 ? 0.9059 0.7211 0.6525 0.0556 0.0191 -0.0051 437 PHE c CD2 +36383 C CE1 . PHE U 419 ? 0.9908 0.7932 0.7300 0.0536 0.0126 -0.0077 437 PHE c CE1 +36384 C CE2 . PHE U 419 ? 0.9170 0.7245 0.6549 0.0573 0.0187 -0.0068 437 PHE c CE2 +36385 C CZ . PHE U 419 ? 0.9472 0.7482 0.6813 0.0563 0.0154 -0.0081 437 PHE c CZ +36386 N N . LEU U 420 ? 0.8406 0.6789 0.6172 0.0443 0.0151 0.0005 438 LEU c N +36387 C CA . LEU U 420 ? 0.8169 0.6617 0.5993 0.0425 0.0163 0.0022 438 LEU c CA +36388 C C . LEU U 420 ? 0.7863 0.6294 0.5667 0.0397 0.0143 0.0026 438 LEU c C +36389 O O . LEU U 420 ? 0.8337 0.6795 0.6148 0.0390 0.0158 0.0037 438 LEU c O +36390 C CB . LEU U 420 ? 0.8266 0.6771 0.6173 0.0415 0.0157 0.0030 438 LEU c CB +36391 C CG . LEU U 420 ? 0.9029 0.7602 0.7000 0.0395 0.0168 0.0046 438 LEU c CG +36392 C CD1 . LEU U 420 ? 0.8620 0.7236 0.6605 0.0414 0.0208 0.0052 438 LEU c CD1 +36393 C CD2 . LEU U 420 ? 0.9076 0.7695 0.7122 0.0377 0.0153 0.0053 438 LEU c CD2 +36394 N N . VAL U 421 ? 0.7467 0.5853 0.5247 0.0381 0.0109 0.0018 439 VAL c N +36395 C CA . VAL U 421 ? 0.7926 0.6293 0.5682 0.0357 0.0087 0.0019 439 VAL c CA +36396 C C . VAL U 421 ? 0.8577 0.6907 0.6261 0.0372 0.0101 0.0016 439 VAL c C +36397 O O . VAL U 421 ? 0.9000 0.7341 0.6676 0.0361 0.0105 0.0025 439 VAL c O +36398 C CB . VAL U 421 ? 0.8480 0.6803 0.6220 0.0339 0.0049 0.0008 439 VAL c CB +36399 C CG1 . VAL U 421 ? 0.8465 0.6760 0.6165 0.0322 0.0028 0.0006 439 VAL c CG1 +36400 C CG2 . VAL U 421 ? 0.8259 0.6622 0.6072 0.0319 0.0035 0.0014 439 VAL c CG2 +36401 N N . GLY U 422 ? 0.8473 0.6756 0.6098 0.0397 0.0109 0.0002 440 GLY c N +36402 C CA . GLY U 422 ? 0.7730 0.5974 0.5282 0.0414 0.0124 -0.0002 440 GLY c CA +36403 C C . GLY U 422 ? 0.9093 0.7384 0.6663 0.0423 0.0162 0.0012 440 GLY c C +36404 O O . GLY U 422 ? 0.8754 0.7031 0.6285 0.0420 0.0168 0.0017 440 GLY c O +36405 N N . HIS U 423 ? 0.8455 0.6802 0.6087 0.0432 0.0186 0.0019 441 HIS c N +36406 C CA . HIS U 423 ? 0.7417 0.5814 0.5076 0.0437 0.0223 0.0033 441 HIS c CA +36407 C C . HIS U 423 ? 0.9132 0.7556 0.6817 0.0408 0.0215 0.0047 441 HIS c C +36408 O O . HIS U 423 ? 0.8522 0.6949 0.6183 0.0408 0.0236 0.0056 441 HIS c O +36409 C CB . HIS U 423 ? 0.7608 0.6068 0.5340 0.0448 0.0245 0.0037 441 HIS c CB +36410 C CG . HIS U 423 ? 0.8080 0.6606 0.5862 0.0442 0.0276 0.0052 441 HIS c CG +36411 N ND1 . HIS U 423 ? 0.8357 0.6887 0.6109 0.0459 0.0314 0.0055 441 HIS c ND1 +36412 C CD2 . HIS U 423 ? 0.8437 0.7022 0.6293 0.0420 0.0276 0.0066 441 HIS c CD2 +36413 C CE1 . HIS U 423 ? 0.9239 0.7830 0.7048 0.0446 0.0336 0.0069 441 HIS c CE1 +36414 N NE2 . HIS U 423 ? 0.8130 0.6755 0.6002 0.0422 0.0313 0.0076 441 HIS c NE2 +36415 N N . LEU U 424 ? 0.8513 0.6955 0.6247 0.0383 0.0186 0.0051 442 LEU c N +36416 C CA . LEU U 424 ? 0.8602 0.7068 0.6361 0.0356 0.0178 0.0065 442 LEU c CA +36417 C C . LEU U 424 ? 0.7583 0.5995 0.5269 0.0352 0.0163 0.0062 442 LEU c C +36418 O O . LEU U 424 ? 0.8160 0.6581 0.5836 0.0344 0.0175 0.0074 442 LEU c O +36419 C CB . LEU U 424 ? 0.8851 0.7345 0.6674 0.0332 0.0148 0.0068 442 LEU c CB +36420 C CG . LEU U 424 ? 0.8780 0.7336 0.6683 0.0333 0.0162 0.0074 442 LEU c CG +36421 C CD1 . LEU U 424 ? 0.8655 0.7226 0.6608 0.0309 0.0131 0.0075 442 LEU c CD1 +36422 C CD2 . LEU U 424 ? 0.8288 0.6897 0.6229 0.0329 0.0194 0.0089 442 LEU c CD2 +36423 N N A TRP U 425 ? 0.7865 0.6220 0.5498 0.0355 0.0135 0.0047 443 TRP c N +36424 N N B TRP U 425 ? 0.7864 0.6219 0.5497 0.0355 0.0136 0.0047 443 TRP c N +36425 C CA A TRP U 425 ? 0.7985 0.6286 0.5546 0.0352 0.0117 0.0042 443 TRP c CA +36426 C CA B TRP U 425 ? 0.7968 0.6270 0.5529 0.0352 0.0118 0.0042 443 TRP c CA +36427 C C A TRP U 425 ? 0.8878 0.7159 0.6378 0.0372 0.0149 0.0045 443 TRP c C +36428 C C B TRP U 425 ? 0.8893 0.7175 0.6394 0.0372 0.0150 0.0045 443 TRP c C +36429 O O A TRP U 425 ? 0.8210 0.6490 0.5690 0.0364 0.0153 0.0056 443 TRP c O +36430 O O B TRP U 425 ? 0.8208 0.6489 0.5689 0.0364 0.0155 0.0056 443 TRP c O +36431 C CB A TRP U 425 ? 0.8151 0.6394 0.5665 0.0356 0.0088 0.0022 443 TRP c CB +36432 C CB B TRP U 425 ? 0.8144 0.6389 0.5659 0.0356 0.0087 0.0022 443 TRP c CB +36433 C CG A TRP U 425 ? 0.8893 0.7083 0.6336 0.0353 0.0064 0.0014 443 TRP c CG +36434 C CG B TRP U 425 ? 0.8900 0.7090 0.6342 0.0352 0.0065 0.0015 443 TRP c CG +36435 C CD1 A TRP U 425 ? 0.8826 0.6965 0.6185 0.0372 0.0075 0.0007 443 TRP c CD1 +36436 C CD1 B TRP U 425 ? 0.8826 0.6966 0.6185 0.0373 0.0075 0.0007 443 TRP c CD1 +36437 C CD2 A TRP U 425 ? 0.8830 0.7012 0.6277 0.0328 0.0026 0.0013 443 TRP c CD2 +36438 C CD2 B TRP U 425 ? 0.8833 0.7014 0.6278 0.0328 0.0026 0.0013 443 TRP c CD2 +36439 N NE1 A TRP U 425 ? 0.9159 0.7258 0.6469 0.0362 0.0043 0.0001 443 TRP c NE1 +36440 N NE1 B TRP U 425 ? 0.9169 0.7268 0.6478 0.0363 0.0044 0.0001 443 TRP c NE1 +36441 C CE2 A TRP U 425 ? 0.9119 0.7246 0.6484 0.0335 0.0013 0.0004 443 TRP c CE2 +36442 C CE2 B TRP U 425 ? 0.9127 0.7252 0.6490 0.0336 0.0014 0.0004 443 TRP c CE2 +36443 C CE3 A TRP U 425 ? 0.8750 0.6967 0.6263 0.0302 0.0002 0.0017 443 TRP c CE3 +36444 C CE3 B TRP U 425 ? 0.8757 0.6973 0.6268 0.0302 0.0002 0.0017 443 TRP c CE3 +36445 C CZ2 A TRP U 425 ? 0.9563 0.7671 0.6912 0.0317 -0.0025 -0.0001 443 TRP c CZ2 +36446 C CZ2 B TRP U 425 ? 0.9592 0.7698 0.6938 0.0318 -0.0024 -0.0001 443 TRP c CZ2 +36447 C CZ3 A TRP U 425 ? 0.9188 0.7387 0.6686 0.0284 -0.0034 0.0013 443 TRP c CZ3 +36448 C CZ3 B TRP U 425 ? 0.9204 0.7402 0.6699 0.0285 -0.0034 0.0013 443 TRP c CZ3 +36449 C CH2 A TRP U 425 ? 0.8941 0.7087 0.6359 0.0292 -0.0047 0.0004 443 TRP c CH2 +36450 C CH2 B TRP U 425 ? 0.8948 0.7092 0.6362 0.0293 -0.0047 0.0004 443 TRP c CH2 +36451 N N . HIS U 426 ? 0.8110 0.6376 0.5581 0.0399 0.0174 0.0037 444 HIS c N +36452 C CA . HIS U 426 ? 0.8751 0.6991 0.6157 0.0419 0.0205 0.0038 444 HIS c CA +36453 C C . HIS U 426 ? 1.0681 0.8976 0.8127 0.0417 0.0243 0.0056 444 HIS c C +36454 O O . HIS U 426 ? 0.9327 0.7603 0.6724 0.0420 0.0261 0.0063 444 HIS c O +36455 C CB . HIS U 426 ? 0.8071 0.6279 0.5435 0.0449 0.0220 0.0022 444 HIS c CB +36456 C CG . HIS U 426 ? 0.8617 0.6755 0.5918 0.0453 0.0186 0.0003 444 HIS c CG +36457 N ND1 . HIS U 426 ? 0.8714 0.6794 0.5934 0.0453 0.0170 -0.0003 444 HIS c ND1 +36458 C CD2 . HIS U 426 ? 0.9093 0.7209 0.6398 0.0457 0.0165 -0.0011 444 HIS c CD2 +36459 C CE1 . HIS U 426 ? 0.9384 0.7411 0.6564 0.0456 0.0141 -0.0021 444 HIS c CE1 +36460 N NE2 . HIS U 426 ? 0.8191 0.6238 0.5420 0.0457 0.0138 -0.0026 444 HIS c NE2 +36461 N N . ALA U 427 ? 0.8568 0.6928 0.6100 0.0409 0.0255 0.0065 445 ALA c N +36462 C CA . ALA U 427 ? 0.8559 0.6972 0.6133 0.0403 0.0290 0.0081 445 ALA c CA +36463 C C . ALA U 427 ? 0.9402 0.7819 0.6979 0.0378 0.0277 0.0095 445 ALA c C +36464 O O . ALA U 427 ? 0.8447 0.6868 0.6005 0.0376 0.0304 0.0107 445 ALA c O +36465 C CB . ALA U 427 ? 0.7963 0.6447 0.5630 0.0401 0.0303 0.0085 445 ALA c CB +36466 N N . GLY U 428 ? 0.7983 0.6396 0.5583 0.0357 0.0237 0.0094 446 GLY c N +36467 C CA . GLY U 428 ? 0.7952 0.6361 0.5547 0.0336 0.0221 0.0106 446 GLY c CA +36468 C C . GLY U 428 ? 0.7880 0.6226 0.5380 0.0345 0.0218 0.0103 446 GLY c C +36469 O O . GLY U 428 ? 0.7947 0.6290 0.5427 0.0338 0.0229 0.0116 446 GLY c O +36470 N N . ARG U 429 ? 0.7661 0.5954 0.5099 0.0361 0.0203 0.0086 447 ARG c N +36471 C CA . ARG U 429 ? 0.8734 0.6963 0.6078 0.0370 0.0195 0.0082 447 ARG c CA +36472 C C . ARG U 429 ? 0.9358 0.7577 0.6654 0.0389 0.0240 0.0089 447 ARG c C +36473 O O . ARG U 429 ? 0.9114 0.7301 0.6353 0.0389 0.0244 0.0096 447 ARG c O +36474 C CB . ARG U 429 ? 0.8208 0.6383 0.5501 0.0381 0.0166 0.0060 447 ARG c CB +36475 C CG . ARG U 429 ? 0.9092 0.7202 0.6290 0.0387 0.0148 0.0054 447 ARG c CG +36476 C CD . ARG U 429 ? 0.9076 0.7132 0.6223 0.0396 0.0117 0.0032 447 ARG c CD +36477 N NE . ARG U 429 ? 0.9339 0.7341 0.6409 0.0396 0.0091 0.0027 447 ARG c NE +36478 C CZ . ARG U 429 ? 1.0999 0.8958 0.7987 0.0414 0.0110 0.0028 447 ARG c CZ +36479 N NH1 . ARG U 429 ? 0.8707 0.6671 0.5679 0.0433 0.0156 0.0033 447 ARG c NH1 +36480 N NH2 . ARG U 429 ? 0.8370 0.6283 0.5292 0.0413 0.0083 0.0024 447 ARG c NH2 +36481 N N . ALA U 430 ? 0.8628 0.6872 0.5946 0.0405 0.0275 0.0086 448 ALA c N +36482 C CA . ALA U 430 ? 0.9364 0.7604 0.6642 0.0422 0.0321 0.0093 448 ALA c CA +36483 C C . ALA U 430 ? 1.0219 0.8494 0.7526 0.0405 0.0345 0.0114 448 ALA c C +36484 O O . ALA U 430 ? 0.9768 0.8015 0.7015 0.0411 0.0369 0.0122 448 ALA c O +36485 C CB . ALA U 430 ? 0.8927 0.7198 0.6237 0.0443 0.0353 0.0086 448 ALA c CB +36486 N N . ARG U 431 ? 0.9234 0.7567 0.6629 0.0383 0.0338 0.0124 449 ARG c N +36487 C CA . ARG U 431 ? 0.9090 0.7456 0.6515 0.0365 0.0358 0.0143 449 ARG c CA +36488 C C . ARG U 431 ? 0.9629 0.7947 0.6996 0.0354 0.0335 0.0151 449 ARG c C +36489 O O . ARG U 431 ? 0.9248 0.7553 0.6578 0.0352 0.0361 0.0164 449 ARG c O +36490 C CB . ARG U 431 ? 0.8643 0.7077 0.6173 0.0343 0.0351 0.0150 449 ARG c CB +36491 C CG . ARG U 431 ? 0.8993 0.7487 0.6586 0.0350 0.0390 0.0152 449 ARG c CG +36492 C CD . ARG U 431 ? 0.8967 0.7502 0.6596 0.0334 0.0424 0.0170 449 ARG c CD +36493 N NE . ARG U 431 ? 0.8552 0.7153 0.6250 0.0339 0.0459 0.0170 449 ARG c NE +36494 C CZ . ARG U 431 ? 0.8290 0.6950 0.6058 0.0321 0.0480 0.0182 449 ARG c CZ +36495 N NH1 . ARG U 431 ? 0.8790 0.7451 0.6569 0.0296 0.0471 0.0196 449 ARG c NH1 +36496 N NH2 . ARG U 431 ? 0.9496 0.8214 0.7324 0.0328 0.0510 0.0180 449 ARG c NH2 +36497 N N . ALA U 432 ? 0.8051 0.6344 0.5410 0.0347 0.0287 0.0142 450 ALA c N +36498 C CA . ALA U 432 ? 0.9456 0.7708 0.6764 0.0338 0.0261 0.0148 450 ALA c CA +36499 C C . ALA U 432 ? 0.9832 0.8015 0.7031 0.0358 0.0269 0.0144 450 ALA c C +36500 O O . ALA U 432 ? 0.8712 0.6867 0.5862 0.0355 0.0272 0.0155 450 ALA c O +36501 C CB . ALA U 432 ? 0.7785 0.6029 0.5113 0.0326 0.0207 0.0137 450 ALA c CB +36502 N N . ALA U 433 ? 0.8148 0.6303 0.5304 0.0380 0.0274 0.0127 451 ALA c N +36503 C CA . ALA U 433 ? 0.9166 0.7253 0.6215 0.0400 0.0281 0.0122 451 ALA c CA +36504 C C . ALA U 433 ? 0.9157 0.7246 0.6178 0.0409 0.0336 0.0136 451 ALA c C +36505 O O . ALA U 433 ? 1.0383 0.8425 0.7325 0.0415 0.0343 0.0143 451 ALA c O +36506 C CB . ALA U 433 ? 0.8131 0.6186 0.5144 0.0421 0.0272 0.0100 451 ALA c CB +36507 N N . ALA U 434 ? 0.9456 0.7603 0.6543 0.0409 0.0375 0.0141 452 ALA c N +36508 C CA . ALA U 434 ? 0.8737 0.6896 0.5810 0.0412 0.0428 0.0156 452 ALA c CA +36509 C C . ALA U 434 ? 0.9096 0.7256 0.6170 0.0391 0.0431 0.0176 452 ALA c C +36510 O O . ALA U 434 ? 1.0598 0.8729 0.7612 0.0396 0.0462 0.0187 452 ALA c O +36511 C CB . ALA U 434 ? 0.8427 0.6658 0.5586 0.0413 0.0464 0.0157 452 ALA c CB +36512 N N . ALA U 435 ? 1.0829 0.9022 0.7969 0.0368 0.0401 0.0182 453 ALA c N +36513 C CA . ALA U 435 ? 1.0062 0.8256 0.7204 0.0349 0.0405 0.0202 453 ALA c CA +36514 C C . ALA U 435 ? 0.8684 0.6811 0.5743 0.0351 0.0369 0.0202 453 ALA c C +36515 O O . ALA U 435 ? 0.9669 0.7777 0.6701 0.0342 0.0375 0.0218 453 ALA c O +36516 C CB . ALA U 435 ? 1.0443 0.8702 0.7691 0.0324 0.0393 0.0209 453 ALA c CB +36517 N N . GLY U 436 ? 1.0085 0.8175 0.7105 0.0364 0.0330 0.0184 454 GLY c N +36518 C CA . GLY U 436 ? 0.8660 0.6684 0.5594 0.0371 0.0297 0.0181 454 GLY c CA +36519 C C . GLY U 436 ? 1.0202 0.8228 0.7164 0.0357 0.0241 0.0176 454 GLY c C +36520 O O . GLY U 436 ? 1.0066 0.8043 0.6963 0.0360 0.0214 0.0177 454 GLY c O +36521 N N A PHE U 437 ? 0.9512 0.7591 0.6565 0.0342 0.0222 0.0171 455 PHE c N +36522 N N B PHE U 437 ? 0.9518 0.7598 0.6573 0.0342 0.0223 0.0171 455 PHE c N +36523 C CA A PHE U 437 ? 0.8667 0.6749 0.5747 0.0328 0.0171 0.0166 455 PHE c CA +36524 C CA B PHE U 437 ? 0.8651 0.6734 0.5733 0.0328 0.0171 0.0166 455 PHE c CA +36525 C C A PHE U 437 ? 0.8906 0.7003 0.6026 0.0327 0.0139 0.0146 455 PHE c C +36526 C C B PHE U 437 ? 0.8909 0.7008 0.6033 0.0327 0.0140 0.0146 455 PHE c C +36527 O O A PHE U 437 ? 0.8889 0.7015 0.6069 0.0310 0.0107 0.0144 455 PHE c O +36528 O O B PHE U 437 ? 0.8913 0.7046 0.6102 0.0309 0.0110 0.0144 455 PHE c O +36529 C CB A PHE U 437 ? 0.8982 0.7112 0.6135 0.0305 0.0174 0.0184 455 PHE c CB +36530 C CB B PHE U 437 ? 0.8982 0.7112 0.6136 0.0305 0.0173 0.0184 455 PHE c CB +36531 C CG A PHE U 437 ? 0.9385 0.7578 0.6621 0.0295 0.0212 0.0192 455 PHE c CG +36532 C CG B PHE U 437 ? 0.9401 0.7594 0.6638 0.0295 0.0211 0.0193 455 PHE c CG +36533 C CD1 A PHE U 437 ? 0.9273 0.7514 0.6589 0.0288 0.0200 0.0182 455 PHE c CD1 +36534 C CD1 B PHE U 437 ? 0.9288 0.7530 0.6606 0.0287 0.0200 0.0183 455 PHE c CD1 +36535 C CD2 A PHE U 437 ? 0.8440 0.6645 0.5676 0.0292 0.0258 0.0210 455 PHE c CD2 +36536 C CD2 B PHE U 437 ? 0.8423 0.6628 0.5659 0.0292 0.0257 0.0210 455 PHE c CD2 +36537 C CE1 A PHE U 437 ? 0.9386 0.7687 0.6780 0.0280 0.0233 0.0189 455 PHE c CE1 +36538 C CE1 B PHE U 437 ? 0.9404 0.7706 0.6800 0.0279 0.0232 0.0190 455 PHE c CE1 +36539 C CE2 A PHE U 437 ? 0.9140 0.7406 0.6455 0.0282 0.0291 0.0216 455 PHE c CE2 +36540 C CE2 B PHE U 437 ? 0.9137 0.7404 0.6453 0.0281 0.0290 0.0217 455 PHE c CE2 +36541 C CZ A PHE U 437 ? 0.8552 0.6868 0.5947 0.0276 0.0278 0.0206 455 PHE c CZ +36542 C CZ B PHE U 437 ? 0.8546 0.6862 0.5942 0.0276 0.0277 0.0206 455 PHE c CZ +36543 N N A GLU U 438 ? 0.8681 0.6753 0.5762 0.0345 0.0146 0.0131 456 GLU c N +36544 N N B GLU U 438 ? 0.8665 0.6738 0.5749 0.0345 0.0146 0.0131 456 GLU c N +36545 C CA A GLU U 438 ? 0.8528 0.6605 0.5639 0.0344 0.0116 0.0111 456 GLU c CA +36546 C CA B GLU U 438 ? 0.8514 0.6593 0.5628 0.0344 0.0116 0.0111 456 GLU c CA +36547 C C A GLU U 438 ? 0.9311 0.7350 0.6384 0.0341 0.0063 0.0097 456 GLU c C +36548 C C B GLU U 438 ? 0.9329 0.7369 0.6403 0.0341 0.0064 0.0097 456 GLU c C +36549 O O A GLU U 438 ? 0.8839 0.6887 0.5946 0.0334 0.0034 0.0082 456 GLU c O +36550 O O B GLU U 438 ? 0.8846 0.6893 0.5953 0.0334 0.0034 0.0082 456 GLU c O +36551 C CB A GLU U 438 ? 0.8620 0.6680 0.5700 0.0365 0.0141 0.0099 456 GLU c CB +36552 C CB B GLU U 438 ? 0.8607 0.6668 0.5689 0.0365 0.0141 0.0099 456 GLU c CB +36553 C CG A GLU U 438 ? 0.9316 0.7303 0.6290 0.0386 0.0127 0.0083 456 GLU c CG +36554 C CG B GLU U 438 ? 0.9321 0.7309 0.6297 0.0386 0.0129 0.0084 456 GLU c CG +36555 C CD A GLU U 438 ? 0.9074 0.7021 0.5966 0.0399 0.0156 0.0095 456 GLU c CD +36556 C CD B GLU U 438 ? 0.9066 0.7017 0.5963 0.0399 0.0158 0.0096 456 GLU c CD +36557 O OE1 A GLU U 438 ? 0.9290 0.7265 0.6207 0.0391 0.0183 0.0115 456 GLU c OE1 +36558 O OE1 B GLU U 438 ? 0.9292 0.7271 0.6215 0.0390 0.0185 0.0116 456 GLU c OE1 +36559 O OE2 A GLU U 438 ? 0.9623 0.7511 0.6426 0.0418 0.0152 0.0084 456 GLU c OE2 +36560 O OE2 B GLU U 438 ? 0.9608 0.7498 0.6414 0.0418 0.0154 0.0085 456 GLU c OE2 +36561 N N A LYS U 439 ? 0.9009 0.7006 0.6014 0.0346 0.0050 0.0102 457 LYS c N +36562 N N B LYS U 439 ? 0.9006 0.7004 0.6011 0.0346 0.0051 0.0102 457 LYS c N +36563 C CA A LYS U 439 ? 0.9462 0.7425 0.6431 0.0344 -0.0001 0.0088 457 LYS c CA +36564 C CA B LYS U 439 ? 0.9474 0.7436 0.6441 0.0344 0.0000 0.0088 457 LYS c CA +36565 C C A LYS U 439 ? 0.8758 0.6747 0.5772 0.0325 -0.0030 0.0097 457 LYS c C +36566 C C B LYS U 439 ? 0.8734 0.6725 0.5749 0.0325 -0.0029 0.0097 457 LYS c C +36567 O O A LYS U 439 ? 0.9674 0.7643 0.6668 0.0322 -0.0075 0.0085 457 LYS c O +36568 O O B LYS U 439 ? 0.9680 0.7651 0.6676 0.0322 -0.0073 0.0086 457 LYS c O +36569 C CB A LYS U 439 ? 0.9443 0.7335 0.6297 0.0365 -0.0004 0.0083 457 LYS c CB +36570 C CB B LYS U 439 ? 0.9429 0.7321 0.6282 0.0365 -0.0002 0.0084 457 LYS c CB +36571 C CG A LYS U 439 ? 1.0131 0.7989 0.6931 0.0386 0.0020 0.0071 457 LYS c CG +36572 C CG B LYS U 439 ? 1.0132 0.7991 0.6929 0.0386 0.0025 0.0074 457 LYS c CG +36573 C CD A LYS U 439 ? 1.0779 0.8564 0.7464 0.0405 0.0006 0.0061 457 LYS c CD +36574 C CD B LYS U 439 ? 1.0771 0.8556 0.7455 0.0405 0.0008 0.0063 457 LYS c CD +36575 C CE A LYS U 439 ? 1.1550 0.9300 0.8173 0.0428 0.0043 0.0055 457 LYS c CE +36576 C CE B LYS U 439 ? 1.1565 0.9315 0.8187 0.0428 0.0045 0.0057 457 LYS c CE +36577 N NZ A LYS U 439 ? 1.3446 1.1206 1.0059 0.0435 0.0096 0.0077 457 LYS c NZ +36578 N NZ B LYS U 439 ? 1.3487 1.1252 1.0106 0.0434 0.0100 0.0079 457 LYS c NZ +36579 N N A GLY U 440 ? 0.8618 0.6651 0.5690 0.0313 -0.0006 0.0117 458 GLY c N +36580 N N B GLY U 440 ? 0.8608 0.6643 0.5682 0.0313 -0.0005 0.0117 458 GLY c N +36581 C CA A GLY U 440 ? 0.9069 0.7127 0.6184 0.0296 -0.0031 0.0126 458 GLY c CA +36582 C CA B GLY U 440 ? 0.9064 0.7126 0.6184 0.0296 -0.0029 0.0126 458 GLY c CA +36583 C C A GLY U 440 ? 0.9332 0.7394 0.6439 0.0295 -0.0002 0.0150 458 GLY c C +36584 C C B GLY U 440 ? 0.9340 0.7403 0.6449 0.0294 0.0000 0.0150 458 GLY c C +36585 O O A GLY U 440 ? 0.9882 0.7927 0.6948 0.0305 0.0040 0.0160 458 GLY c O +36586 O O B GLY U 440 ? 0.9900 0.7947 0.6970 0.0305 0.0041 0.0160 458 GLY c O +36587 N N A ILE U 441 ? 0.8864 0.6948 0.6010 0.0280 -0.0022 0.0159 459 ILE c N +36588 N N B ILE U 441 ? 0.8858 0.6941 0.6003 0.0281 -0.0022 0.0159 459 ILE c N +36589 C CA A ILE U 441 ? 0.9374 0.7458 0.6513 0.0276 0.0001 0.0182 459 ILE c CA +36590 C CA B ILE U 441 ? 0.9382 0.7466 0.6522 0.0276 0.0001 0.0182 459 ILE c CA +36591 C C A ILE U 441 ? 0.9421 0.7441 0.6461 0.0292 -0.0014 0.0184 459 ILE c C +36592 C C B ILE U 441 ? 0.9420 0.7441 0.6461 0.0292 -0.0015 0.0185 459 ILE c C +36593 O O A ILE U 441 ? 0.9357 0.7355 0.6370 0.0297 -0.0060 0.0171 459 ILE c O +36594 O O B ILE U 441 ? 0.9363 0.7361 0.6377 0.0297 -0.0060 0.0171 459 ILE c O +36595 C CB A ILE U 441 ? 0.8084 0.6218 0.5309 0.0255 -0.0014 0.0190 459 ILE c CB +36596 C CB B ILE U 441 ? 0.8055 0.6190 0.5281 0.0255 -0.0015 0.0190 459 ILE c CB +36597 C CG1 A ILE U 441 ? 0.9091 0.7287 0.6412 0.0240 0.0002 0.0188 459 ILE c CG1 +36598 C CG1 B ILE U 441 ? 0.9107 0.7303 0.6427 0.0241 0.0004 0.0189 459 ILE c CG1 +36599 C CG2 A ILE U 441 ? 0.8828 0.6954 0.6038 0.0251 0.0005 0.0213 459 ILE c CG2 +36600 C CG2 B ILE U 441 ? 0.8822 0.6948 0.6034 0.0251 0.0002 0.0212 459 ILE c CG2 +36601 C CD1 A ILE U 441 ? 0.7420 0.5664 0.4826 0.0220 -0.0025 0.0189 459 ILE c CD1 +36602 C CD1 B ILE U 441 ? 0.7412 0.5657 0.4819 0.0220 -0.0021 0.0190 459 ILE c CD1 +36603 N N A ASP U 442 ? 1.0254 0.8244 0.7237 0.0301 0.0023 0.0201 460 ASP c N +36604 N N B ASP U 442 ? 1.0263 0.8255 0.7249 0.0300 0.0023 0.0202 460 ASP c N +36605 C CA A ASP U 442 ? 0.9576 0.7502 0.6461 0.0316 0.0011 0.0206 460 ASP c CA +36606 C CA B ASP U 442 ? 0.9559 0.7487 0.6447 0.0315 0.0011 0.0207 460 ASP c CA +36607 C C A ASP U 442 ? 0.9615 0.7550 0.6524 0.0306 -0.0016 0.0217 460 ASP c C +36608 C C B ASP U 442 ? 0.9606 0.7541 0.6515 0.0306 -0.0016 0.0218 460 ASP c C +36609 O O A ASP U 442 ? 0.9463 0.7430 0.6424 0.0291 0.0007 0.0234 460 ASP c O +36610 O O B ASP U 442 ? 0.9442 0.7407 0.6401 0.0291 0.0006 0.0235 460 ASP c O +36611 C CB A ASP U 442 ? 1.1248 0.9140 0.8068 0.0326 0.0063 0.0222 460 ASP c CB +36612 C CB B ASP U 442 ? 1.1256 0.9150 0.8079 0.0325 0.0063 0.0223 460 ASP c CB +36613 C CG A ASP U 442 ? 1.1398 0.9221 0.8113 0.0342 0.0053 0.0231 460 ASP c CG +36614 C CG B ASP U 442 ? 1.1401 0.9225 0.8118 0.0341 0.0054 0.0231 460 ASP c CG +36615 O OD1 A ASP U 442 ? 1.2379 1.0156 0.9024 0.0359 0.0022 0.0216 460 ASP c OD1 +36616 O OD1 B ASP U 442 ? 1.2400 1.0178 0.9047 0.0358 0.0022 0.0216 460 ASP c OD1 +36617 O OD2 A ASP U 442 ? 1.2636 1.0449 0.9339 0.0337 0.0077 0.0252 460 ASP c OD2 +36618 O OD2 B ASP U 442 ? 1.2671 1.0485 0.9374 0.0337 0.0079 0.0252 460 ASP c OD2 +36619 N N A ARG U 443 ? 0.9346 0.7254 0.6218 0.0315 -0.0065 0.0206 461 ARG c N +36620 N N B ARG U 443 ? 0.9327 0.7235 0.6199 0.0315 -0.0066 0.0206 461 ARG c N +36621 C CA A ARG U 443 ? 1.0617 0.8534 0.7514 0.0308 -0.0096 0.0213 461 ARG c CA +36622 C CA B ARG U 443 ? 1.0630 0.8546 0.7525 0.0308 -0.0097 0.0213 461 ARG c CA +36623 C C A ARG U 443 ? 1.0580 0.8468 0.7435 0.0310 -0.0068 0.0239 461 ARG c C +36624 C C B ARG U 443 ? 1.0564 0.8451 0.7417 0.0311 -0.0070 0.0238 461 ARG c C +36625 O O A ARG U 443 ? 1.2181 1.0098 0.9089 0.0296 -0.0068 0.0252 461 ARG c O +36626 O O B ARG U 443 ? 1.2227 1.0140 0.9130 0.0298 -0.0073 0.0251 461 ARG c O +36627 C CB A ARG U 443 ? 1.0440 0.8328 0.7293 0.0320 -0.0152 0.0196 461 ARG c CB +36628 C CB B ARG U 443 ? 1.0441 0.8328 0.7292 0.0321 -0.0153 0.0195 461 ARG c CB +36629 C CG A ARG U 443 ? 0.9969 0.7890 0.6875 0.0313 -0.0185 0.0172 461 ARG c CG +36630 C CG B ARG U 443 ? 0.9975 0.7897 0.6882 0.0313 -0.0187 0.0171 461 ARG c CG +36631 C CD A ARG U 443 ? 0.9941 0.7836 0.6806 0.0324 -0.0241 0.0155 461 ARG c CD +36632 C CD B ARG U 443 ? 0.9945 0.7842 0.6813 0.0324 -0.0242 0.0155 461 ARG c CD +36633 N NE A ARG U 443 ? 0.9907 0.7834 0.6826 0.0314 -0.0274 0.0131 461 ARG c NE +36634 N NE B ARG U 443 ? 0.9900 0.7829 0.6821 0.0314 -0.0275 0.0131 461 ARG c NE +36635 C CZ A ARG U 443 ? 0.9579 0.7556 0.6580 0.0298 -0.0302 0.0125 461 ARG c CZ +36636 C CZ B ARG U 443 ? 0.9578 0.7555 0.6579 0.0298 -0.0305 0.0124 461 ARG c CZ +36637 N NH1 A ARG U 443 ? 0.9318 0.7320 0.6360 0.0290 -0.0303 0.0141 461 ARG c NH1 +36638 N NH1 B ARG U 443 ? 0.9309 0.7310 0.6349 0.0291 -0.0307 0.0140 461 ARG c NH1 +36639 N NH2 A ARG U 443 ? 0.9380 0.7380 0.6422 0.0288 -0.0330 0.0103 461 ARG c NH2 +36640 N NH2 B ARG U 443 ? 0.9378 0.7378 0.6420 0.0288 -0.0332 0.0102 461 ARG c NH2 +36641 N N . GLU U 444 ? 0.9269 0.7098 0.6026 0.0327 -0.0045 0.0246 462 GLU c N +36642 C CA A GLU U 444 ? 1.1571 0.9366 0.8281 0.0329 -0.0020 0.0270 462 GLU c CA +36643 C CA B GLU U 444 ? 1.1581 0.9374 0.8288 0.0330 -0.0019 0.0270 462 GLU c CA +36644 C C . GLU U 444 ? 0.9626 0.7453 0.6386 0.0312 0.0036 0.0288 462 GLU c C +36645 O O . GLU U 444 ? 0.9635 0.7447 0.6382 0.0306 0.0056 0.0309 462 GLU c O +36646 C CB A GLU U 444 ? 1.3085 1.0800 0.9667 0.0354 -0.0014 0.0272 462 GLU c CB +36647 C CB B GLU U 444 ? 1.3034 1.0749 0.9615 0.0354 -0.0008 0.0272 462 GLU c CB +36648 C CG A GLU U 444 ? 1.3006 1.0675 0.9524 0.0371 -0.0066 0.0268 462 GLU c CG +36649 C CG B GLU U 444 ? 1.2348 1.0022 0.8863 0.0374 -0.0061 0.0253 462 GLU c CG +36650 C CD A GLU U 444 ? 1.2854 1.0555 0.9419 0.0370 -0.0123 0.0243 462 GLU c CD +36651 C CD B GLU U 444 ? 1.3939 1.1531 1.0324 0.0398 -0.0053 0.0260 462 GLU c CD +36652 O OE1 A GLU U 444 ? 1.1807 0.9507 0.8361 0.0376 -0.0134 0.0223 462 GLU c OE1 +36653 O OE1 B GLU U 444 ? 1.4038 1.1600 1.0384 0.0398 -0.0024 0.0283 462 GLU c OE1 +36654 O OE2 A GLU U 444 ? 1.3061 1.0789 0.9676 0.0363 -0.0156 0.0244 462 GLU c OE2 +36655 O OE2 B GLU U 444 ? 1.2814 1.0369 0.9133 0.0416 -0.0075 0.0243 462 GLU c OE2 +36656 N N . SER U 445 ? 0.9843 0.7717 0.6665 0.0302 0.0061 0.0281 463 SER c N +36657 C CA . SER U 445 ? 1.1639 0.9550 0.8513 0.0285 0.0114 0.0296 463 SER c CA +36658 C C . SER U 445 ? 1.1228 0.9216 0.8220 0.0266 0.0112 0.0287 463 SER c C +36659 O O . SER U 445 ? 1.0887 0.8909 0.7918 0.0261 0.0147 0.0286 463 SER c O +36660 C CB . SER U 445 ? 0.9794 0.7677 0.6609 0.0296 0.0161 0.0298 463 SER c CB +36661 O OG . SER U 445 ? 1.3391 1.1302 1.0244 0.0281 0.0213 0.0315 463 SER c OG +36662 N N A GLU U 446 ? 1.0918 0.8937 0.7969 0.0257 0.0071 0.0282 464 GLU c N +36663 N N B GLU U 446 ? 1.0937 0.8956 0.7988 0.0257 0.0071 0.0281 464 GLU c N +36664 C CA A GLU U 446 ? 0.9699 0.7788 0.6857 0.0239 0.0066 0.0273 464 GLU c CA +36665 C CA B GLU U 446 ? 0.9691 0.7779 0.6849 0.0240 0.0066 0.0273 464 GLU c CA +36666 C C A GLU U 446 ? 0.9352 0.7484 0.6575 0.0220 0.0108 0.0290 464 GLU c C +36667 C C B GLU U 446 ? 0.9350 0.7481 0.6572 0.0220 0.0108 0.0290 464 GLU c C +36668 O O A GLU U 446 ? 0.8779 0.6910 0.6013 0.0210 0.0109 0.0305 464 GLU c O +36669 O O B GLU U 446 ? 0.8759 0.6891 0.5994 0.0210 0.0107 0.0304 464 GLU c O +36670 C CB A GLU U 446 ? 1.0083 0.8191 0.7284 0.0233 0.0013 0.0264 464 GLU c CB +36671 C CB B GLU U 446 ? 1.0091 0.8198 0.7290 0.0234 0.0013 0.0263 464 GLU c CB +36672 C CG A GLU U 446 ? 0.9524 0.7701 0.6833 0.0215 0.0006 0.0256 464 GLU c CG +36673 C CG B GLU U 446 ? 0.9532 0.7708 0.6840 0.0216 0.0007 0.0256 464 GLU c CG +36674 C CD A GLU U 446 ? 0.9604 0.7797 0.6949 0.0211 -0.0046 0.0243 464 GLU c CD +36675 C CD B GLU U 446 ? 0.9611 0.7803 0.6954 0.0211 -0.0045 0.0244 464 GLU c CD +36676 O OE1 A GLU U 446 ? 0.9431 0.7586 0.6721 0.0223 -0.0079 0.0240 464 GLU c OE1 +36677 O OE1 B GLU U 446 ? 0.9439 0.7592 0.6726 0.0223 -0.0077 0.0241 464 GLU c OE1 +36678 O OE2 A GLU U 446 ? 1.0379 0.8626 0.7809 0.0196 -0.0054 0.0237 464 GLU c OE2 +36679 O OE2 B GLU U 446 ? 1.0426 0.8671 0.7854 0.0197 -0.0054 0.0237 464 GLU c OE2 +36680 N N . PRO U 447 ? 0.8770 0.6939 0.6036 0.0215 0.0142 0.0287 465 PRO c N +36681 C CA . PRO U 447 ? 0.9662 0.7870 0.6983 0.0197 0.0185 0.0303 465 PRO c CA +36682 C C . PRO U 447 ? 1.0035 0.8287 0.7438 0.0176 0.0170 0.0310 465 PRO c C +36683 O O . PRO U 447 ? 0.9595 0.7852 0.7012 0.0162 0.0197 0.0327 465 PRO c O +36684 C CB . PRO U 447 ? 0.8818 0.7066 0.6182 0.0198 0.0212 0.0293 465 PRO c CB +36685 C CG . PRO U 447 ? 0.8776 0.6985 0.6074 0.0221 0.0197 0.0276 465 PRO c CG +36686 C CD . PRO U 447 ? 0.8384 0.6557 0.5644 0.0227 0.0145 0.0269 465 PRO c CD +36687 N N A VAL U 448 ? 0.8627 0.6906 0.6080 0.0172 0.0129 0.0296 466 VAL c N +36688 N N B VAL U 448 ? 0.8616 0.6897 0.6071 0.0172 0.0130 0.0296 466 VAL c N +36689 C CA A VAL U 448 ? 0.8956 0.7279 0.6488 0.0153 0.0117 0.0302 466 VAL c CA +36690 C CA B VAL U 448 ? 0.8959 0.7284 0.6495 0.0152 0.0117 0.0301 466 VAL c CA +36691 C C A VAL U 448 ? 0.9130 0.7418 0.6627 0.0151 0.0106 0.0316 466 VAL c C +36692 C C B VAL U 448 ? 0.9118 0.7409 0.6619 0.0150 0.0107 0.0316 466 VAL c C +36693 O O A VAL U 448 ? 0.8954 0.7266 0.6498 0.0134 0.0115 0.0328 466 VAL c O +36694 O O B VAL U 448 ? 0.8946 0.7262 0.6495 0.0133 0.0116 0.0328 466 VAL c O +36695 C CB A VAL U 448 ? 0.9196 0.7554 0.6787 0.0150 0.0076 0.0284 466 VAL c CB +36696 C CB B VAL U 448 ? 0.9207 0.7564 0.6797 0.0150 0.0075 0.0283 466 VAL c CB +36697 C CG1 A VAL U 448 ? 0.8420 0.6810 0.6076 0.0133 0.0054 0.0288 466 VAL c CG1 +36698 C CG1 B VAL U 448 ? 0.8411 0.6795 0.6058 0.0135 0.0049 0.0288 466 VAL c CG1 +36699 C CG2 A VAL U 448 ? 0.8658 0.7061 0.6304 0.0146 0.0095 0.0274 466 VAL c CG2 +36700 C CG2 B VAL U 448 ? 0.8638 0.7045 0.6291 0.0145 0.0092 0.0274 466 VAL c CG2 +36701 N N A LEU U 449 ? 0.9522 0.7751 0.6932 0.0169 0.0087 0.0316 467 LEU c N +36702 N N B LEU U 449 ? 0.9528 0.7759 0.6941 0.0168 0.0088 0.0316 467 LEU c N +36703 C CA A LEU U 449 ? 0.9672 0.7863 0.7041 0.0170 0.0075 0.0330 467 LEU c CA +36704 C CA B LEU U 449 ? 0.9669 0.7862 0.7042 0.0169 0.0075 0.0329 467 LEU c CA +36705 C C A LEU U 449 ? 1.0080 0.8252 0.7425 0.0161 0.0122 0.0351 467 LEU c C +36706 C C B LEU U 449 ? 1.0090 0.8263 0.7438 0.0161 0.0122 0.0351 467 LEU c C +36707 O O A LEU U 449 ? 1.0081 0.8233 0.7416 0.0156 0.0119 0.0365 467 LEU c O +36708 O O B LEU U 449 ? 1.0093 0.8246 0.7429 0.0156 0.0118 0.0365 467 LEU c O +36709 C CB A LEU U 449 ? 0.9002 0.7132 0.6280 0.0193 0.0043 0.0323 467 LEU c CB +36710 C CB B LEU U 449 ? 0.8987 0.7120 0.6268 0.0192 0.0043 0.0323 467 LEU c CB +36711 C CG A LEU U 449 ? 1.0292 0.8437 0.7589 0.0200 -0.0008 0.0301 467 LEU c CG +36712 C CG B LEU U 449 ? 1.0303 0.8451 0.7604 0.0200 -0.0008 0.0301 467 LEU c CG +36713 C CD1 A LEU U 449 ? 1.0295 0.8379 0.7498 0.0224 -0.0037 0.0294 467 LEU c CD1 +36714 C CD1 B LEU U 449 ? 1.0308 0.8395 0.7514 0.0223 -0.0036 0.0294 467 LEU c CD1 +36715 C CD2 A LEU U 449 ? 0.9257 0.7443 0.6630 0.0187 -0.0039 0.0299 467 LEU c CD2 +36716 C CD2 B LEU U 449 ? 0.9253 0.7438 0.6625 0.0187 -0.0039 0.0299 467 LEU c CD2 +36717 N N . SER U 450 ? 1.0336 0.8515 0.7676 0.0159 0.0166 0.0354 468 SER c N +36718 C CA . SER U 450 ? 1.0142 0.8308 0.7465 0.0148 0.0214 0.0374 468 SER c CA +36719 C C . SER U 450 ? 1.0231 0.8461 0.7652 0.0123 0.0239 0.0379 468 SER c C +36720 O O . SER U 450 ? 1.1217 0.9444 0.8636 0.0109 0.0279 0.0395 468 SER c O +36721 C CB . SER U 450 ? 1.0584 0.8718 0.7840 0.0160 0.0253 0.0376 468 SER c CB +36722 O OG . SER U 450 ? 1.2237 1.0314 0.9404 0.0184 0.0227 0.0369 468 SER c OG +36723 N N . MET U 451 ? 1.0024 0.8311 0.7529 0.0115 0.0216 0.0366 469 MET c N +36724 C CA . MET U 451 ? 0.8699 0.7050 0.6298 0.0092 0.0237 0.0369 469 MET c CA +36725 C C . MET U 451 ? 0.8153 0.6515 0.5793 0.0077 0.0216 0.0377 469 MET c C +36726 O O . MET U 451 ? 0.9887 0.8231 0.7513 0.0086 0.0173 0.0372 469 MET c O +36727 C CB . MET U 451 ? 0.9615 0.8022 0.7281 0.0093 0.0226 0.0351 469 MET c CB +36728 C CG . MET U 451 ? 1.0034 0.8432 0.7664 0.0109 0.0246 0.0342 469 MET c CG +36729 S SD . MET U 451 ? 0.9467 0.7923 0.7171 0.0112 0.0230 0.0321 469 MET c SD +36730 C CE . MET U 451 ? 0.8536 0.6966 0.6176 0.0134 0.0256 0.0313 469 MET c CE +36731 N N . PRO U 452 ? 0.9636 0.8028 0.7328 0.0055 0.0244 0.0388 470 PRO c N +36732 C CA . PRO U 452 ? 0.9468 0.7874 0.7204 0.0041 0.0224 0.0394 470 PRO c CA +36733 C C . PRO U 452 ? 0.9802 0.8254 0.7608 0.0040 0.0184 0.0378 470 PRO c C +36734 O O . PRO U 452 ? 1.0381 0.8870 0.8223 0.0044 0.0182 0.0364 470 PRO c O +36735 C CB . PRO U 452 ? 0.8471 0.6909 0.6257 0.0016 0.0267 0.0405 470 PRO c CB +36736 C CG . PRO U 452 ? 0.9222 0.7694 0.7029 0.0018 0.0298 0.0398 470 PRO c CG +36737 C CD . PRO U 452 ? 0.8989 0.7414 0.6713 0.0043 0.0293 0.0393 470 PRO c CD +36738 N N . SER U 453 ? 0.6649 0.5096 0.4468 0.0037 0.0153 0.0380 471 SER c N +36739 C CA A SER U 453 ? 0.8815 0.7305 0.6701 0.0034 0.0117 0.0366 471 SER c CA +36740 C CA B SER U 453 ? 0.8815 0.7305 0.6701 0.0034 0.0117 0.0366 471 SER c CA +36741 C C . SER U 453 ? 0.7262 0.5817 0.5239 0.0014 0.0135 0.0364 471 SER c C +36742 O O . SER U 453 ? 0.6582 0.5149 0.4578 -0.0001 0.0170 0.0375 471 SER c O +36743 C CB A SER U 453 ? 0.9250 0.7723 0.7134 0.0034 0.0083 0.0369 471 SER c CB +36744 C CB B SER U 453 ? 0.9254 0.7727 0.7137 0.0035 0.0082 0.0369 471 SER c CB +36745 O OG A SER U 453 ? 1.0389 0.8809 0.8196 0.0055 0.0057 0.0367 471 SER c OG +36746 O OG B SER U 453 ? 0.9714 0.8207 0.7644 0.0015 0.0096 0.0380 471 SER c OG +36747 N N . LEU U 454 ? 0.9887 0.8484 0.7919 0.0014 0.0112 0.0349 472 LEU c N +36748 C CA . LEU U 454 ? 0.9597 0.8255 0.7714 -0.0002 0.0125 0.0346 472 LEU c CA +36749 C C . LEU U 454 ? 0.8835 0.7512 0.7001 -0.0020 0.0116 0.0352 472 LEU c C +36750 O O . LEU U 454 ? 0.9442 0.8162 0.7670 -0.0037 0.0134 0.0355 472 LEU c O +36751 C CB . LEU U 454 ? 0.7771 0.6464 0.5927 0.0004 0.0105 0.0328 472 LEU c CB +36752 C CG . LEU U 454 ? 0.8363 0.7044 0.6483 0.0021 0.0113 0.0318 472 LEU c CG +36753 C CD1 . LEU U 454 ? 0.7743 0.6453 0.5901 0.0025 0.0087 0.0301 472 LEU c CD1 +36754 C CD2 . LEU U 454 ? 0.8812 0.7509 0.6936 0.0017 0.0159 0.0324 472 LEU c CD2 +36755 N N . ASP U 455 ? 0.9323 0.7971 0.7464 -0.0014 0.0085 0.0354 473 ASP c N +36756 C CA . ASP U 455 ? 0.9294 0.7953 0.7473 -0.0028 0.0075 0.0360 473 ASP c CA +36757 C C . ASP U 455 ? 1.1979 1.0587 1.0102 -0.0016 0.0050 0.0365 473 ASP c C +36758 O O . ASP U 455 ? 1.1154 0.9763 0.9298 -0.0023 0.0035 0.0369 473 ASP c O +36759 C CB . ASP U 455 ? 0.9609 0.8321 0.7866 -0.0036 0.0052 0.0347 473 ASP c CB +36760 C CG . ASP U 455 ? 0.9352 0.8065 0.7603 -0.0021 0.0018 0.0331 473 ASP c CG +36761 O OD1 . ASP U 455 ? 0.9755 0.8431 0.7944 -0.0004 0.0008 0.0328 473 ASP c OD1 +36762 O OD2 . ASP U 455 ? 0.9199 0.7952 0.7509 -0.0027 0.0000 0.0322 473 ASP c OD2 +36763 O OXT . ASP U 455 ? 1.0562 0.9127 0.8615 0.0001 0.0043 0.0365 473 ASP c OXT +36764 N N . ARG V 2 ? 1.6888 1.6827 1.6172 -0.0357 -0.1780 -0.0940 12 ARG d N +36765 C CA . ARG V 2 ? 1.5418 1.5270 1.4626 -0.0383 -0.1772 -0.0946 12 ARG d CA +36766 C C . ARG V 2 ? 1.6427 1.6302 1.5707 -0.0449 -0.1745 -0.0965 12 ARG d C +36767 O O . ARG V 2 ? 1.5334 1.5187 1.4599 -0.0482 -0.1765 -0.0995 12 ARG d O +36768 C CB . ARG V 2 ? 1.5030 1.4862 1.4178 -0.0367 -0.1833 -0.0977 12 ARG d CB +36769 C CG . ARG V 2 ? 1.9687 1.9439 1.8711 -0.0308 -0.1847 -0.0954 12 ARG d CG +36770 C CD . ARG V 2 ? 2.0209 1.9846 1.9131 -0.0310 -0.1800 -0.0923 12 ARG d CD +36771 N NE . ARG V 2 ? 1.9352 1.8973 1.8279 -0.0299 -0.1743 -0.0880 12 ARG d NE +36772 C CZ . ARG V 2 ? 1.7534 1.7063 1.6376 -0.0289 -0.1700 -0.0848 12 ARG d CZ +36773 N NH1 . ARG V 2 ? 1.7541 1.6984 1.6285 -0.0288 -0.1705 -0.0851 12 ARG d NH1 +36774 N NH2 . ARG V 2 ? 1.6192 1.5718 1.5048 -0.0279 -0.1652 -0.0811 12 ARG d NH2 +36775 N N . GLY V 3 ? 1.0682 1.0597 1.0036 -0.0469 -0.1699 -0.0947 13 GLY d N +36776 C CA . GLY V 3 ? 0.9935 0.9865 0.9353 -0.0531 -0.1667 -0.0959 13 GLY d CA +36777 C C . GLY V 3 ? 1.1560 1.1382 1.0894 -0.0552 -0.1630 -0.0944 13 GLY d C +36778 O O . GLY V 3 ? 0.9780 0.9516 0.9011 -0.0519 -0.1619 -0.0918 13 GLY d O +36779 N N . TRP V 4 ? 0.9151 0.8977 0.8532 -0.0611 -0.1609 -0.0962 14 TRP d N +36780 C CA . TRP V 4 ? 1.1361 1.1086 1.0668 -0.0634 -0.1572 -0.0949 14 TRP d CA +36781 C C . TRP V 4 ? 1.1821 1.1491 1.1083 -0.0610 -0.1519 -0.0901 14 TRP d C +36782 O O . TRP V 4 ? 0.9820 0.9392 0.8985 -0.0600 -0.1499 -0.0883 14 TRP d O +36783 C CB . TRP V 4 ? 0.9980 0.9726 0.9355 -0.0701 -0.1554 -0.0973 14 TRP d CB +36784 C CG . TRP V 4 ? 1.1879 1.1690 1.1350 -0.0722 -0.1514 -0.0959 14 TRP d CG +36785 C CD1 . TRP V 4 ? 1.0950 1.0873 1.0533 -0.0733 -0.1529 -0.0978 14 TRP d CD1 +36786 C CD2 . TRP V 4 ? 1.2355 1.2123 1.1817 -0.0733 -0.1453 -0.0925 14 TRP d CD2 +36787 N NE1 . TRP V 4 ? 1.4281 1.4232 1.3925 -0.0751 -0.1480 -0.0956 14 TRP d NE1 +36788 C CE2 . TRP V 4 ? 1.3329 1.3186 1.2900 -0.0751 -0.1433 -0.0924 14 TRP d CE2 +36789 C CE3 . TRP V 4 ? 1.2080 1.1746 1.1455 -0.0727 -0.1413 -0.0895 14 TRP d CE3 +36790 C CZ2 . TRP V 4 ? 1.1211 1.1054 1.0800 -0.0764 -0.1376 -0.0894 14 TRP d CZ2 +36791 C CZ3 . TRP V 4 ? 1.0482 1.0136 0.9878 -0.0740 -0.1358 -0.0866 14 TRP d CZ3 +36792 C CH2 . TRP V 4 ? 1.1104 1.0845 1.0606 -0.0759 -0.1340 -0.0866 14 TRP d CH2 +36793 N N . PHE V 5 ? 1.1169 1.0899 1.0499 -0.0600 -0.1496 -0.0881 15 PHE d N +36794 C CA . PHE V 5 ? 0.9351 0.9034 0.8642 -0.0577 -0.1446 -0.0837 15 PHE d CA +36795 C C . PHE V 5 ? 0.9000 0.8616 0.8186 -0.0521 -0.1457 -0.0814 15 PHE d C +36796 O O . PHE V 5 ? 0.9219 0.8753 0.8329 -0.0511 -0.1423 -0.0786 15 PHE d O +36797 C CB . PHE V 5 ? 1.1437 1.1202 1.0820 -0.0572 -0.1426 -0.0823 15 PHE d CB +36798 C CG . PHE V 5 ? 0.8349 0.8069 0.7698 -0.0551 -0.1377 -0.0778 15 PHE d CG +36799 C CD1 . PHE V 5 ? 0.9355 0.9054 0.8651 -0.0496 -0.1381 -0.0752 15 PHE d CD1 +36800 C CD2 . PHE V 5 ? 1.0333 1.0024 0.9696 -0.0586 -0.1326 -0.0764 15 PHE d CD2 +36801 C CE1 . PHE V 5 ? 0.9694 0.9352 0.8959 -0.0478 -0.1336 -0.0712 15 PHE d CE1 +36802 C CE2 . PHE V 5 ? 0.9857 0.9507 0.9187 -0.0566 -0.1282 -0.0724 15 PHE d CE2 +36803 C CZ . PHE V 5 ? 1.0067 0.9702 0.9350 -0.0513 -0.1287 -0.0699 15 PHE d CZ +36804 N N . ASP V 6 ? 0.9697 0.9349 0.8876 -0.0485 -0.1505 -0.0825 16 ASP d N +36805 C CA . ASP V 6 ? 1.0239 0.9828 0.9317 -0.0431 -0.1515 -0.0803 16 ASP d CA +36806 C C . ASP V 6 ? 1.0988 1.0487 0.9964 -0.0433 -0.1528 -0.0813 16 ASP d C +36807 O O . ASP V 6 ? 0.9309 0.8728 0.8190 -0.0401 -0.1511 -0.0787 16 ASP d O +36808 C CB . ASP V 6 ? 0.9558 0.9208 0.8654 -0.0391 -0.1564 -0.0813 16 ASP d CB +36809 C CG . ASP V 6 ? 1.2009 1.1743 1.1198 -0.0383 -0.1550 -0.0801 16 ASP d CG +36810 O OD1 . ASP V 6 ? 1.1577 1.1287 1.0759 -0.0374 -0.1504 -0.0765 16 ASP d OD1 +36811 O OD2 . ASP V 6 ? 1.1555 1.1377 1.0825 -0.0388 -0.1585 -0.0828 16 ASP d OD2 +36812 N N . ILE V 7 ? 1.0518 1.0028 0.9513 -0.0469 -0.1557 -0.0851 17 ILE d N +36813 C CA . ILE V 7 ? 1.0205 0.9626 0.9105 -0.0476 -0.1565 -0.0862 17 ILE d CA +36814 C C . ILE V 7 ? 0.9073 0.8419 0.7936 -0.0497 -0.1508 -0.0838 17 ILE d C +36815 O O . ILE V 7 ? 0.9203 0.8459 0.7964 -0.0476 -0.1495 -0.0822 17 ILE d O +36816 C CB . ILE V 7 ? 1.2418 1.1870 1.1353 -0.0514 -0.1608 -0.0910 17 ILE d CB +36817 C CG1 . ILE V 7 ? 1.1780 1.1310 1.0754 -0.0490 -0.1667 -0.0934 17 ILE d CG1 +36818 C CG2 . ILE V 7 ? 1.0411 0.9767 0.9244 -0.0520 -0.1618 -0.0922 17 ILE d CG2 +36819 C CD1 . ILE V 7 ? 1.2366 1.1847 1.1239 -0.0433 -0.1699 -0.0925 17 ILE d CD1 +36820 N N . LEU V 8 ? 0.8650 0.8030 0.7591 -0.0537 -0.1473 -0.0835 18 LEU d N +36821 C CA . LEU V 8 ? 0.9999 0.9310 0.8907 -0.0556 -0.1419 -0.0812 18 LEU d CA +36822 C C . LEU V 8 ? 0.7998 0.7267 0.6851 -0.0512 -0.1385 -0.0768 18 LEU d C +36823 O O . LEU V 8 ? 0.9009 0.8193 0.7783 -0.0507 -0.1356 -0.0749 18 LEU d O +36824 C CB . LEU V 8 ? 0.8762 0.8124 0.7768 -0.0605 -0.1388 -0.0817 18 LEU d CB +36825 C CG . LEU V 8 ? 1.0574 0.9866 0.9549 -0.0628 -0.1334 -0.0795 18 LEU d CG +36826 C CD1 . LEU V 8 ? 0.9398 0.8593 0.8277 -0.0635 -0.1338 -0.0805 18 LEU d CD1 +36827 C CD2 . LEU V 8 ? 1.0840 1.0181 0.9909 -0.0681 -0.1310 -0.0806 18 LEU d CD2 +36828 N N . ASP V 9 ? 0.9130 0.8456 0.8020 -0.0480 -0.1390 -0.0752 19 ASP d N +36829 C CA . ASP V 9 ? 0.8695 0.7984 0.7533 -0.0438 -0.1361 -0.0712 19 ASP d CA +36830 C C . ASP V 9 ? 1.0432 0.9644 0.9156 -0.0400 -0.1378 -0.0706 19 ASP d C +36831 O O . ASP V 9 ? 0.9526 0.8666 0.8179 -0.0384 -0.1344 -0.0678 19 ASP d O +36832 C CB . ASP V 9 ? 0.8935 0.8303 0.7837 -0.0412 -0.1369 -0.0700 19 ASP d CB +36833 C CG . ASP V 9 ? 1.0399 0.9734 0.9261 -0.0375 -0.1333 -0.0657 19 ASP d CG +36834 O OD1 . ASP V 9 ? 0.9606 0.8935 0.8494 -0.0391 -0.1287 -0.0635 19 ASP d OD1 +36835 O OD2 . ASP V 9 ? 0.9175 0.8489 0.7978 -0.0330 -0.1351 -0.0645 19 ASP d OD2 +36836 N N . ASP V 10 ? 0.9794 0.9021 0.8498 -0.0386 -0.1431 -0.0732 20 ASP d N +36837 C CA . ASP V 10 ? 0.9822 0.8974 0.8414 -0.0353 -0.1452 -0.0732 20 ASP d CA +36838 C C . ASP V 10 ? 0.9131 0.8192 0.7650 -0.0371 -0.1424 -0.0729 20 ASP d C +36839 O O . ASP V 10 ? 0.8814 0.7803 0.7247 -0.0342 -0.1402 -0.0704 20 ASP d O +36840 C CB . ASP V 10 ? 1.0043 0.9226 0.8636 -0.0351 -0.1515 -0.0771 20 ASP d CB +36841 C CG . ASP V 10 ? 1.2549 1.1790 1.1163 -0.0311 -0.1550 -0.0769 20 ASP d CG +36842 O OD1 . ASP V 10 ? 1.2396 1.1622 1.0979 -0.0273 -0.1530 -0.0735 20 ASP d OD1 +36843 O OD2 . ASP V 10 ? 1.2756 1.2057 1.1415 -0.0318 -0.1599 -0.0802 20 ASP d OD2 +36844 N N . TRP V 11 ? 0.8733 0.7796 0.7288 -0.0419 -0.1424 -0.0754 21 TRP d N +36845 C CA . TRP V 11 ? 0.9912 0.8886 0.8395 -0.0436 -0.1403 -0.0756 21 TRP d CA +36846 C C . TRP V 11 ? 1.2028 1.0958 1.0495 -0.0436 -0.1343 -0.0720 21 TRP d C +36847 O O . TRP V 11 ? 0.9212 0.8059 0.7590 -0.0419 -0.1322 -0.0705 21 TRP d O +36848 C CB . TRP V 11 ? 0.9810 0.8797 0.8335 -0.0489 -0.1419 -0.0794 21 TRP d CB +36849 C CG . TRP V 11 ? 1.0735 0.9627 0.9180 -0.0505 -0.1406 -0.0800 21 TRP d CG +36850 C CD1 . TRP V 11 ? 1.0250 0.9084 0.8612 -0.0495 -0.1437 -0.0821 21 TRP d CD1 +36851 C CD2 . TRP V 11 ? 1.1388 1.0227 0.9823 -0.0530 -0.1356 -0.0785 21 TRP d CD2 +36852 N NE1 . TRP V 11 ? 1.2193 1.0943 1.0496 -0.0514 -0.1410 -0.0821 21 TRP d NE1 +36853 C CE2 . TRP V 11 ? 1.0044 0.8795 0.8389 -0.0535 -0.1361 -0.0799 21 TRP d CE2 +36854 C CE3 . TRP V 11 ? 0.9443 0.8301 0.7934 -0.0548 -0.1309 -0.0762 21 TRP d CE3 +36855 C CZ2 . TRP V 11 ? 1.0791 0.9472 0.9102 -0.0555 -0.1321 -0.0790 21 TRP d CZ2 +36856 C CZ3 . TRP V 11 ? 1.0098 0.8887 0.8554 -0.0569 -0.1270 -0.0753 21 TRP d CZ3 +36857 C CH2 . TRP V 11 ? 1.3049 1.1750 1.1417 -0.0572 -0.1276 -0.0767 21 TRP d CH2 +36858 N N . LEU V 12 ? 0.9824 0.8809 0.8376 -0.0454 -0.1314 -0.0706 22 LEU d N +36859 C CA . LEU V 12 ? 0.9891 0.8842 0.8435 -0.0454 -0.1258 -0.0672 22 LEU d CA +36860 C C . LEU V 12 ? 1.0044 0.8952 0.8516 -0.0403 -0.1241 -0.0639 22 LEU d C +36861 O O . LEU V 12 ? 0.8433 0.7277 0.6852 -0.0397 -0.1203 -0.0616 22 LEU d O +36862 C CB . LEU V 12 ? 0.8302 0.7326 0.6950 -0.0476 -0.1235 -0.0663 22 LEU d CB +36863 C CG . LEU V 12 ? 1.0215 0.9271 0.8932 -0.0531 -0.1238 -0.0692 22 LEU d CG +36864 C CD1 . LEU V 12 ? 0.9495 0.8634 0.8319 -0.0550 -0.1221 -0.0686 22 LEU d CD1 +36865 C CD2 . LEU V 12 ? 0.9992 0.8967 0.8661 -0.0557 -0.1204 -0.0689 22 LEU d CD2 +36866 N N . LYS V 13 ? 0.8672 0.7615 0.7140 -0.0368 -0.1269 -0.0635 23 LYS d N +36867 C CA . LYS V 13 ? 0.9592 0.8504 0.8001 -0.0321 -0.1253 -0.0602 23 LYS d CA +36868 C C . LYS V 13 ? 0.9658 0.8504 0.7960 -0.0289 -0.1277 -0.0606 23 LYS d C +36869 O O . LYS V 13 ? 1.0196 0.9023 0.8449 -0.0248 -0.1272 -0.0583 23 LYS d O +36870 C CB . LYS V 13 ? 0.9044 0.8029 0.7512 -0.0300 -0.1263 -0.0590 23 LYS d CB +36871 C CG . LYS V 13 ? 0.9638 0.8677 0.8197 -0.0322 -0.1230 -0.0576 23 LYS d CG +36872 C CD . LYS V 13 ? 1.0354 0.9477 0.8984 -0.0308 -0.1250 -0.0576 23 LYS d CD +36873 C CE . LYS V 13 ? 1.2124 1.1291 1.0833 -0.0325 -0.1211 -0.0557 23 LYS d CE +36874 N NZ . LYS V 13 ? 1.1097 1.0346 0.9880 -0.0313 -0.1228 -0.0557 23 LYS d NZ +36875 N N . ARG V 14 ? 1.1079 0.9889 0.9342 -0.0306 -0.1302 -0.0635 24 ARG d N +36876 C CA . ARG V 14 ? 1.1481 1.0221 0.9636 -0.0276 -0.1320 -0.0639 24 ARG d CA +36877 C C . ARG V 14 ? 1.0660 0.9323 0.8739 -0.0255 -0.1274 -0.0607 24 ARG d C +36878 O O . ARG V 14 ? 1.1125 0.9772 0.9223 -0.0275 -0.1232 -0.0594 24 ARG d O +36879 C CB . ARG V 14 ? 1.1485 1.0196 0.9614 -0.0303 -0.1351 -0.0677 24 ARG d CB +36880 C CG . ARG V 14 ? 1.4742 1.3529 1.2947 -0.0325 -0.1398 -0.0710 24 ARG d CG +36881 C CD . ARG V 14 ? 1.3192 1.1989 1.1357 -0.0290 -0.1448 -0.0723 24 ARG d CD +36882 N NE . ARG V 14 ? 1.7302 1.6046 1.5398 -0.0296 -0.1481 -0.0753 24 ARG d NE +36883 C CZ . ARG V 14 ? 1.8057 1.6827 1.6195 -0.0335 -0.1511 -0.0791 24 ARG d CZ +36884 N NH1 . ARG V 14 ? 1.5425 1.4276 1.3674 -0.0370 -0.1514 -0.0804 24 ARG d NH1 +36885 N NH2 . ARG V 14 ? 1.8029 1.6742 1.6094 -0.0338 -0.1538 -0.0816 24 ARG d NH2 +36886 N N . ASP V 15 ? 1.0568 0.9186 0.8560 -0.0213 -0.1281 -0.0595 25 ASP d N +36887 C CA . ASP V 15 ? 1.1082 0.9629 0.8997 -0.0190 -0.1239 -0.0567 25 ASP d CA +36888 C C . ASP V 15 ? 1.1407 0.9880 0.9255 -0.0205 -0.1237 -0.0585 25 ASP d C +36889 O O . ASP V 15 ? 1.4238 1.2668 1.2012 -0.0189 -0.1266 -0.0602 25 ASP d O +36890 C CB . ASP V 15 ? 1.1994 1.0520 0.9840 -0.0142 -0.1248 -0.0549 25 ASP d CB +36891 C CG . ASP V 15 ? 1.3463 1.1958 1.1279 -0.0119 -0.1198 -0.0510 25 ASP d CG +36892 O OD1 . ASP V 15 ? 1.2754 1.1250 1.0608 -0.0138 -0.1157 -0.0495 25 ASP d OD1 +36893 O OD2 . ASP V 15 ? 1.4496 1.2965 1.2249 -0.0081 -0.1199 -0.0493 25 ASP d OD2 +36894 N N . ARG V 16 ? 1.1055 0.9511 0.8927 -0.0233 -0.1202 -0.0581 26 ARG d N +36895 C CA . ARG V 16 ? 0.9453 0.7834 0.7263 -0.0247 -0.1194 -0.0595 26 ARG d CA +36896 C C . ARG V 16 ? 1.0555 0.8886 0.8329 -0.0235 -0.1140 -0.0565 26 ARG d C +36897 O O . ARG V 16 ? 1.1097 0.9453 0.8897 -0.0219 -0.1111 -0.0535 26 ARG d O +36898 C CB . ARG V 16 ? 0.9528 0.7931 0.7399 -0.0297 -0.1208 -0.0625 26 ARG d CB +36899 C CG . ARG V 16 ? 0.9962 0.8449 0.7948 -0.0324 -0.1201 -0.0622 26 ARG d CG +36900 C CD . ARG V 16 ? 1.0704 0.9200 0.8741 -0.0375 -0.1204 -0.0648 26 ARG d CD +36901 N NE . ARG V 16 ? 0.9438 0.7966 0.7497 -0.0393 -0.1256 -0.0686 26 ARG d NE +36902 C CZ . ARG V 16 ? 1.1307 0.9922 0.9454 -0.0408 -0.1281 -0.0698 26 ARG d CZ +36903 N NH1 . ARG V 16 ? 1.0374 0.9051 0.8595 -0.0406 -0.1261 -0.0676 26 ARG d NH1 +36904 N NH2 . ARG V 16 ? 1.0409 0.9050 0.8572 -0.0425 -0.1329 -0.0734 26 ARG d NH2 +36905 N N . PHE V 17 ? 1.0042 0.8302 0.7757 -0.0244 -0.1127 -0.0574 27 PHE d N +36906 C CA . PHE V 17 ? 1.3037 1.1245 1.0712 -0.0230 -0.1077 -0.0548 27 PHE d CA +36907 C C . PHE V 17 ? 1.2235 1.0484 0.9994 -0.0252 -0.1042 -0.0529 27 PHE d C +36908 O O . PHE V 17 ? 0.9849 0.8096 0.7606 -0.0233 -0.1004 -0.0499 27 PHE d O +36909 C CB . PHE V 17 ? 1.0443 0.8568 0.8042 -0.0237 -0.1073 -0.0565 27 PHE d CB +36910 C CG . PHE V 17 ? 1.5174 1.3244 1.2725 -0.0218 -0.1024 -0.0539 27 PHE d CG +36911 C CD1 . PHE V 17 ? 1.3194 1.1229 1.0672 -0.0176 -0.1010 -0.0520 27 PHE d CD1 +36912 C CD2 . PHE V 17 ? 1.4261 1.2315 1.1841 -0.0242 -0.0992 -0.0535 27 PHE d CD2 +36913 C CE1 . PHE V 17 ? 1.6123 1.4112 1.3562 -0.0158 -0.0964 -0.0497 27 PHE d CE1 +36914 C CE2 . PHE V 17 ? 1.4218 1.2224 1.1755 -0.0223 -0.0949 -0.0512 27 PHE d CE2 +36915 C CZ . PHE V 17 ? 1.4222 1.2199 1.1692 -0.0182 -0.0935 -0.0494 27 PHE d CZ +36916 N N . VAL V 18 ? 1.0758 0.9045 0.8589 -0.0294 -0.1053 -0.0548 28 VAL d N +36917 C CA . VAL V 18 ? 0.9411 0.7744 0.7326 -0.0317 -0.1024 -0.0533 28 VAL d CA +36918 C C . VAL V 18 ? 1.0355 0.8776 0.8357 -0.0330 -0.1052 -0.0542 28 VAL d C +36919 O O . VAL V 18 ? 0.9305 0.7752 0.7344 -0.0360 -0.1083 -0.0572 28 VAL d O +36920 C CB . VAL V 18 ? 1.1673 0.9973 0.9601 -0.0355 -0.1008 -0.0547 28 VAL d CB +36921 C CG1 . VAL V 18 ? 1.1575 0.9925 0.9591 -0.0378 -0.0979 -0.0531 28 VAL d CG1 +36922 C CG2 . VAL V 18 ? 1.3028 1.1237 1.0867 -0.0340 -0.0981 -0.0540 28 VAL d CG2 +36923 N N . PHE V 19 ? 0.9439 0.7905 0.7472 -0.0306 -0.1041 -0.0517 29 PHE d N +36924 C CA . PHE V 19 ? 0.8200 0.6752 0.6321 -0.0317 -0.1061 -0.0521 29 PHE d CA +36925 C C . PHE V 19 ? 0.8105 0.6694 0.6309 -0.0362 -0.1049 -0.0531 29 PHE d C +36926 O O . PHE V 19 ? 0.8224 0.6786 0.6432 -0.0375 -0.1011 -0.0516 29 PHE d O +36927 C CB . PHE V 19 ? 0.8992 0.7577 0.7130 -0.0286 -0.1042 -0.0488 29 PHE d CB +36928 C CG . PHE V 19 ? 0.8788 0.7459 0.7013 -0.0293 -0.1060 -0.0491 29 PHE d CG +36929 C CD1 . PHE V 19 ? 0.9605 0.8307 0.7827 -0.0274 -0.1102 -0.0503 29 PHE d CD1 +36930 C CD2 . PHE V 19 ? 0.8999 0.7719 0.7308 -0.0317 -0.1037 -0.0482 29 PHE d CD2 +36931 C CE1 . PHE V 19 ? 0.9239 0.8022 0.7542 -0.0278 -0.1120 -0.0506 29 PHE d CE1 +36932 C CE2 . PHE V 19 ? 0.8082 0.6882 0.6472 -0.0323 -0.1053 -0.0485 29 PHE d CE2 +36933 C CZ . PHE V 19 ? 0.9982 0.8813 0.8370 -0.0303 -0.1094 -0.0498 29 PHE d CZ +36934 N N . VAL V 20 ? 0.8882 0.7531 0.7151 -0.0387 -0.1082 -0.0556 30 VAL d N +36935 C CA . VAL V 20 ? 0.8350 0.7036 0.6699 -0.0432 -0.1073 -0.0567 30 VAL d CA +36936 C C . VAL V 20 ? 0.9987 0.8756 0.8425 -0.0432 -0.1066 -0.0553 30 VAL d C +36937 O O . VAL V 20 ? 0.9326 0.8104 0.7801 -0.0442 -0.1028 -0.0532 30 VAL d O +36938 C CB . VAL V 20 ? 0.8863 0.7559 0.7230 -0.0466 -0.1111 -0.0608 30 VAL d CB +36939 C CG1 . VAL V 20 ? 0.8411 0.7143 0.6860 -0.0515 -0.1096 -0.0618 30 VAL d CG1 +36940 C CG2 . VAL V 20 ? 0.9488 0.8098 0.7763 -0.0466 -0.1119 -0.0623 30 VAL d CG2 +36941 N N . GLY V 21 ? 0.8762 0.7593 0.7237 -0.0422 -0.1103 -0.0566 31 GLY d N +36942 C CA . GLY V 21 ? 0.7580 0.6492 0.6141 -0.0422 -0.1100 -0.0556 31 GLY d CA +36943 C C . GLY V 21 ? 0.8393 0.7355 0.7044 -0.0469 -0.1092 -0.0571 31 GLY d C +36944 O O . GLY V 21 ? 0.8210 0.7136 0.6854 -0.0503 -0.1081 -0.0584 31 GLY d O +36945 N N . TRP V 22 ? 0.7514 0.6557 0.6248 -0.0472 -0.1097 -0.0569 32 TRP d N +36946 C CA . TRP V 22 ? 0.7869 0.6961 0.6690 -0.0514 -0.1081 -0.0578 32 TRP d CA +36947 C C . TRP V 22 ? 0.8486 0.7536 0.7299 -0.0527 -0.1030 -0.0554 32 TRP d C +36948 O O . TRP V 22 ? 0.8335 0.7381 0.7180 -0.0568 -0.1014 -0.0565 32 TRP d O +36949 C CB . TRP V 22 ? 0.7615 0.6799 0.6521 -0.0506 -0.1091 -0.0575 32 TRP d CB +36950 C CG . TRP V 22 ? 0.8007 0.7247 0.6943 -0.0502 -0.1142 -0.0603 32 TRP d CG +36951 C CD1 . TRP V 22 ? 0.8413 0.7665 0.7319 -0.0460 -0.1173 -0.0601 32 TRP d CD1 +36952 C CD2 . TRP V 22 ? 0.7681 0.6973 0.6682 -0.0540 -0.1168 -0.0639 32 TRP d CD2 +36953 N NE1 . TRP V 22 ? 0.8853 0.8163 0.7802 -0.0468 -0.1219 -0.0633 32 TRP d NE1 +36954 C CE2 . TRP V 22 ? 0.9967 0.9304 0.8977 -0.0518 -0.1217 -0.0658 32 TRP d CE2 +36955 C CE3 . TRP V 22 ? 0.8332 0.7636 0.7383 -0.0591 -0.1155 -0.0658 32 TRP d CE3 +36956 C CZ2 . TRP V 22 ? 0.8054 0.7454 0.7127 -0.0545 -0.1253 -0.0695 32 TRP d CZ2 +36957 C CZ3 . TRP V 22 ? 0.9408 0.8771 0.8521 -0.0621 -0.1189 -0.0694 32 TRP d CZ3 +36958 C CH2 . TRP V 22 ? 0.9221 0.8633 0.8345 -0.0597 -0.1239 -0.0713 32 TRP d CH2 +36959 N N . SER V 23 ? 0.7944 0.6963 0.6715 -0.0493 -0.1004 -0.0521 33 SER d N +36960 C CA . SER V 23 ? 0.8561 0.7536 0.7317 -0.0501 -0.0957 -0.0497 33 SER d CA +36961 C C . SER V 23 ? 0.8274 0.7177 0.6979 -0.0524 -0.0948 -0.0509 33 SER d C +36962 O O . SER V 23 ? 0.8179 0.7062 0.6900 -0.0551 -0.0916 -0.0503 33 SER d O +36963 C CB . SER V 23 ? 0.8524 0.7472 0.7232 -0.0457 -0.0936 -0.0463 33 SER d CB +36964 O OG . SER V 23 ? 0.8158 0.7046 0.6777 -0.0430 -0.0949 -0.0464 33 SER d OG +36965 N N . GLY V 24 ? 0.7915 0.6775 0.6556 -0.0515 -0.0975 -0.0527 34 GLY d N +36966 C CA . GLY V 24 ? 0.8358 0.7142 0.6941 -0.0534 -0.0968 -0.0538 34 GLY d CA +36967 C C . GLY V 24 ? 0.8369 0.7164 0.7002 -0.0586 -0.0967 -0.0562 34 GLY d C +36968 O O . GLY V 24 ? 0.8366 0.7099 0.6965 -0.0606 -0.0946 -0.0564 34 GLY d O +36969 N N . ILE V 25 ? 0.8737 0.7610 0.7451 -0.0608 -0.0990 -0.0581 35 ILE d N +36970 C CA . ILE V 25 ? 0.7841 0.6731 0.6609 -0.0660 -0.0988 -0.0604 35 ILE d CA +36971 C C . ILE V 25 ? 0.8754 0.7626 0.7542 -0.0679 -0.0940 -0.0583 35 ILE d C +36972 O O . ILE V 25 ? 0.8848 0.7682 0.7634 -0.0717 -0.0926 -0.0595 35 ILE d O +36973 C CB . ILE V 25 ? 0.9189 0.8177 0.8048 -0.0676 -0.1018 -0.0626 35 ILE d CB +36974 C CG1 . ILE V 25 ? 0.9184 0.8180 0.8017 -0.0663 -0.1069 -0.0653 35 ILE d CG1 +36975 C CG2 . ILE V 25 ? 0.8817 0.7833 0.7745 -0.0731 -0.1007 -0.0644 35 ILE d CG2 +36976 C CD1 . ILE V 25 ? 0.9200 0.8295 0.8111 -0.0659 -0.1102 -0.0667 35 ILE d CD1 +36977 N N . LEU V 26 ? 0.9609 0.8504 0.8415 -0.0654 -0.0915 -0.0552 36 LEU d N +36978 C CA . LEU V 26 ? 0.8459 0.7332 0.7275 -0.0665 -0.0870 -0.0529 36 LEU d CA +36979 C C . LEU V 26 ? 0.8317 0.7101 0.7044 -0.0641 -0.0845 -0.0509 36 LEU d C +36980 O O . LEU V 26 ? 0.7948 0.6680 0.6654 -0.0662 -0.0819 -0.0506 36 LEU d O +36981 C CB . LEU V 26 ? 1.0293 0.9233 0.9171 -0.0649 -0.0855 -0.0507 36 LEU d CB +36982 C CG . LEU V 26 ? 0.9552 0.8483 0.8448 -0.0657 -0.0809 -0.0481 36 LEU d CG +36983 C CD1 . LEU V 26 ? 0.8222 0.7158 0.7165 -0.0708 -0.0795 -0.0496 36 LEU d CD1 +36984 C CD2 . LEU V 26 ? 0.8850 0.7846 0.7797 -0.0633 -0.0801 -0.0460 36 LEU d CD2 +36985 N N . LEU V 27 ? 0.7487 0.6254 0.6161 -0.0597 -0.0854 -0.0495 37 LEU d N +36986 C CA . LEU V 27 ? 0.7726 0.6419 0.6324 -0.0571 -0.0827 -0.0473 37 LEU d CA +36987 C C . LEU V 27 ? 0.8781 0.7393 0.7315 -0.0587 -0.0826 -0.0488 37 LEU d C +36988 O O . LEU V 27 ? 0.8067 0.6624 0.6570 -0.0591 -0.0794 -0.0475 37 LEU d O +36989 C CB . LEU V 27 ? 0.8156 0.6847 0.6709 -0.0523 -0.0840 -0.0459 37 LEU d CB +36990 C CG . LEU V 27 ? 0.8764 0.7378 0.7230 -0.0494 -0.0818 -0.0441 37 LEU d CG +36991 C CD1 . LEU V 27 ? 0.7334 0.5928 0.5807 -0.0493 -0.0774 -0.0414 37 LEU d CD1 +36992 C CD2 . LEU V 27 ? 0.7591 0.6210 0.6019 -0.0450 -0.0832 -0.0429 37 LEU d CD2 +36993 N N . PHE V 28 ? 0.7927 0.6527 0.6435 -0.0595 -0.0861 -0.0516 38 PHE d N +36994 C CA . PHE V 28 ? 0.8657 0.7171 0.7087 -0.0599 -0.0862 -0.0529 38 PHE d CA +36995 C C . PHE V 28 ? 0.8490 0.6969 0.6931 -0.0643 -0.0843 -0.0539 38 PHE d C +36996 O O . PHE V 28 ? 0.8162 0.6567 0.6547 -0.0638 -0.0817 -0.0528 38 PHE d O +36997 C CB . PHE V 28 ? 1.0705 0.9213 0.9100 -0.0594 -0.0906 -0.0556 38 PHE d CB +36998 C CG . PHE V 28 ? 1.0646 0.9154 0.8996 -0.0546 -0.0919 -0.0543 38 PHE d CG +36999 C CD1 . PHE V 28 ? 1.1111 0.9563 0.9393 -0.0511 -0.0892 -0.0518 38 PHE d CD1 +37000 C CD2 . PHE V 28 ? 1.0848 0.9413 0.9222 -0.0534 -0.0955 -0.0554 38 PHE d CD2 +37001 C CE1 . PHE V 28 ? 1.0464 0.8915 0.8703 -0.0468 -0.0901 -0.0505 38 PHE d CE1 +37002 C CE2 . PHE V 28 ? 1.0353 0.8913 0.8681 -0.0489 -0.0965 -0.0541 38 PHE d CE2 +37003 C CZ . PHE V 28 ? 1.0580 0.9082 0.8840 -0.0457 -0.0937 -0.0516 38 PHE d CZ +37004 N N . PRO V 29 ? 0.8676 0.7202 0.7188 -0.0685 -0.0853 -0.0559 39 PRO d N +37005 C CA . PRO V 29 ? 0.7995 0.6481 0.6513 -0.0728 -0.0831 -0.0567 39 PRO d CA +37006 C C . PRO V 29 ? 0.8815 0.7282 0.7336 -0.0722 -0.0786 -0.0536 39 PRO d C +37007 O O . PRO V 29 ? 0.8449 0.6841 0.6921 -0.0731 -0.0764 -0.0532 39 PRO d O +37008 C CB . PRO V 29 ? 0.9282 0.7840 0.7886 -0.0771 -0.0850 -0.0592 39 PRO d CB +37009 C CG . PRO V 29 ? 0.9944 0.8587 0.8597 -0.0747 -0.0875 -0.0590 39 PRO d CG +37010 C CD . PRO V 29 ? 0.8102 0.6714 0.6685 -0.0698 -0.0887 -0.0578 39 PRO d CD +37011 N N . CYS V 30 ? 0.8363 0.6893 0.6937 -0.0705 -0.0773 -0.0513 40 CYS d N +37012 C CA . CYS V 30 ? 0.8432 0.6948 0.7014 -0.0702 -0.0732 -0.0485 40 CYS d CA +37013 C C . CYS V 30 ? 0.7717 0.6163 0.6218 -0.0663 -0.0712 -0.0463 40 CYS d C +37014 O O . CYS V 30 ? 0.7925 0.6318 0.6400 -0.0668 -0.0681 -0.0450 40 CYS d O +37015 C CB . CYS V 30 ? 0.7710 0.6311 0.6367 -0.0694 -0.0725 -0.0469 40 CYS d CB +37016 S SG . CYS V 30 ? 0.8889 0.7569 0.7648 -0.0744 -0.0735 -0.0492 40 CYS d SG +37017 N N . ALA V 31 ? 0.7983 0.6428 0.6445 -0.0624 -0.0728 -0.0458 41 ALA d N +37018 C CA . ALA V 31 ? 0.9722 0.8103 0.8108 -0.0587 -0.0710 -0.0439 41 ALA d CA +37019 C C . ALA V 31 ? 0.9523 0.7814 0.7837 -0.0599 -0.0708 -0.0454 41 ALA d C +37020 O O . ALA V 31 ? 0.9177 0.7408 0.7445 -0.0587 -0.0681 -0.0439 41 ALA d O +37021 C CB . ALA V 31 ? 0.7429 0.5827 0.5786 -0.0545 -0.0729 -0.0432 41 ALA d CB +37022 N N . TYR V 32 ? 0.9221 0.7502 0.7527 -0.0623 -0.0739 -0.0485 42 TYR d N +37023 C CA . TYR V 32 ? 0.7793 0.5986 0.6029 -0.0635 -0.0739 -0.0501 42 TYR d CA +37024 C C . TYR V 32 ? 0.8185 0.6341 0.6430 -0.0668 -0.0711 -0.0499 42 TYR d C +37025 O O . TYR V 32 ? 0.7966 0.6043 0.6148 -0.0659 -0.0690 -0.0492 42 TYR d O +37026 C CB . TYR V 32 ? 0.8891 0.7087 0.7121 -0.0656 -0.0780 -0.0537 42 TYR d CB +37027 C CG . TYR V 32 ? 0.9023 0.7126 0.7175 -0.0668 -0.0784 -0.0556 42 TYR d CG +37028 C CD1 . TYR V 32 ? 1.0520 0.8554 0.8585 -0.0631 -0.0778 -0.0549 42 TYR d CD1 +37029 C CD2 . TYR V 32 ? 0.7593 0.5678 0.5761 -0.0717 -0.0794 -0.0584 42 TYR d CD2 +37030 C CE1 . TYR V 32 ? 0.9427 0.7373 0.7419 -0.0641 -0.0782 -0.0567 42 TYR d CE1 +37031 C CE2 . TYR V 32 ? 0.8746 0.6744 0.6842 -0.0728 -0.0799 -0.0603 42 TYR d CE2 +37032 C CZ . TYR V 32 ? 0.8957 0.6884 0.6964 -0.0689 -0.0793 -0.0594 42 TYR d CZ +37033 O OH . TYR V 32 ? 0.9694 0.7531 0.7627 -0.0699 -0.0797 -0.0613 42 TYR d OH +37034 N N . LEU V 33 ? 0.7628 0.5838 0.5951 -0.0706 -0.0709 -0.0505 43 LEU d N +37035 C CA . LEU V 33 ? 0.8906 0.7081 0.7239 -0.0740 -0.0681 -0.0503 43 LEU d CA +37036 C C . LEU V 33 ? 0.9980 0.8134 0.8299 -0.0715 -0.0644 -0.0470 43 LEU d C +37037 O O . LEU V 33 ? 0.9572 0.7660 0.7858 -0.0728 -0.0619 -0.0465 43 LEU d O +37038 C CB . LEU V 33 ? 0.8074 0.6320 0.6497 -0.0784 -0.0686 -0.0515 43 LEU d CB +37039 C CG . LEU V 33 ? 0.9273 0.7541 0.7719 -0.0818 -0.0722 -0.0552 43 LEU d CG +37040 C CD1 . LEU V 33 ? 0.8416 0.6748 0.6951 -0.0864 -0.0719 -0.0563 43 LEU d CD1 +37041 C CD2 . LEU V 33 ? 0.9809 0.7984 0.8182 -0.0834 -0.0726 -0.0571 43 LEU d CD2 +37042 N N . ALA V 34 ? 0.8567 0.6773 0.6910 -0.0680 -0.0638 -0.0447 44 ALA d N +37043 C CA . ALA V 34 ? 0.8727 0.6917 0.7058 -0.0655 -0.0604 -0.0416 44 ALA d CA +37044 C C . ALA V 34 ? 0.8288 0.6395 0.6531 -0.0623 -0.0593 -0.0408 44 ALA d C +37045 O O . ALA V 34 ? 0.8236 0.6289 0.6449 -0.0621 -0.0566 -0.0395 44 ALA d O +37046 C CB . ALA V 34 ? 0.8618 0.6886 0.6998 -0.0627 -0.0603 -0.0395 44 ALA d CB +37047 N N . LEU V 35 ? 0.6938 0.5033 0.5137 -0.0597 -0.0614 -0.0416 45 LEU d N +37048 C CA . LEU V 35 ? 0.8226 0.6242 0.6339 -0.0566 -0.0604 -0.0411 45 LEU d CA +37049 C C . LEU V 35 ? 0.8819 0.6752 0.6883 -0.0594 -0.0604 -0.0430 45 LEU d C +37050 O O . LEU V 35 ? 0.9281 0.7144 0.7289 -0.0580 -0.0581 -0.0421 45 LEU d O +37051 C CB . LEU V 35 ? 0.8715 0.6739 0.6793 -0.0533 -0.0627 -0.0415 45 LEU d CB +37052 C CG . LEU V 35 ? 1.0680 0.8628 0.8669 -0.0498 -0.0617 -0.0410 45 LEU d CG +37053 C CD1 . LEU V 35 ? 1.0843 0.8795 0.8827 -0.0462 -0.0586 -0.0378 45 LEU d CD1 +37054 C CD2 . LEU V 35 ? 1.1252 0.9199 0.9201 -0.0477 -0.0646 -0.0424 45 LEU d CD2 +37055 N N . GLY V 36 ? 0.8562 0.6502 0.6646 -0.0633 -0.0628 -0.0458 46 GLY d N +37056 C CA . GLY V 36 ? 0.8387 0.6248 0.6425 -0.0663 -0.0628 -0.0479 46 GLY d CA +37057 C C . GLY V 36 ? 0.9134 0.6961 0.7181 -0.0685 -0.0596 -0.0467 46 GLY d C +37058 O O . GLY V 36 ? 0.8942 0.6681 0.6925 -0.0687 -0.0582 -0.0469 46 GLY d O +37059 N N . GLY V 37 ? 0.9049 0.6942 0.7171 -0.0701 -0.0584 -0.0455 47 GLY d N +37060 C CA . GLY V 37 ? 0.8531 0.6394 0.6661 -0.0721 -0.0552 -0.0442 47 GLY d CA +37061 C C . GLY V 37 ? 0.8326 0.6139 0.6405 -0.0681 -0.0524 -0.0415 47 GLY d C +37062 O O . GLY V 37 ? 0.8900 0.6643 0.6941 -0.0690 -0.0503 -0.0410 47 GLY d O +37063 N N . TRP V 38 ? 0.8759 0.6606 0.6835 -0.0636 -0.0524 -0.0397 48 TRP d N +37064 C CA . TRP V 38 ? 0.8666 0.6472 0.6698 -0.0596 -0.0498 -0.0372 48 TRP d CA +37065 C C . TRP V 38 ? 0.9039 0.6750 0.6980 -0.0580 -0.0498 -0.0382 48 TRP d C +37066 O O . TRP V 38 ? 0.8476 0.6122 0.6372 -0.0568 -0.0475 -0.0370 48 TRP d O +37067 C CB . TRP V 38 ? 0.7943 0.5813 0.5998 -0.0555 -0.0498 -0.0352 48 TRP d CB +37068 C CG . TRP V 38 ? 0.7666 0.5504 0.5686 -0.0517 -0.0471 -0.0327 48 TRP d CG +37069 C CD1 . TRP V 38 ? 0.7477 0.5314 0.5516 -0.0516 -0.0445 -0.0307 48 TRP d CD1 +37070 C CD2 . TRP V 38 ? 0.7691 0.5490 0.5648 -0.0473 -0.0468 -0.0321 48 TRP d CD2 +37071 N NE1 . TRP V 38 ? 0.8374 0.6177 0.6367 -0.0474 -0.0427 -0.0289 48 TRP d NE1 +37072 C CE2 . TRP V 38 ? 0.7969 0.5750 0.5913 -0.0448 -0.0440 -0.0297 48 TRP d CE2 +37073 C CE3 . TRP V 38 ? 0.8275 0.6055 0.6185 -0.0453 -0.0486 -0.0334 48 TRP d CE3 +37074 C CZ2 . TRP V 38 ? 0.7604 0.5350 0.5495 -0.0403 -0.0429 -0.0286 48 TRP d CZ2 +37075 C CZ3 . TRP V 38 ? 0.8258 0.6001 0.6112 -0.0409 -0.0473 -0.0322 48 TRP d CZ3 +37076 C CH2 . TRP V 38 ? 0.8468 0.6197 0.6314 -0.0385 -0.0445 -0.0299 48 TRP d CH2 +37077 N N . LEU V 39 ? 0.8366 0.6065 0.6276 -0.0577 -0.0524 -0.0402 49 LEU d N +37078 C CA . LEU V 39 ? 0.8575 0.6182 0.6397 -0.0563 -0.0526 -0.0414 49 LEU d CA +37079 C C . LEU V 39 ? 0.7989 0.5523 0.5784 -0.0603 -0.0520 -0.0430 49 LEU d C +37080 O O . LEU V 39 ? 0.9024 0.6475 0.6754 -0.0590 -0.0503 -0.0426 49 LEU d O +37081 C CB . LEU V 39 ? 0.8101 0.5717 0.5899 -0.0554 -0.0557 -0.0434 49 LEU d CB +37082 C CG . LEU V 39 ? 0.9183 0.6854 0.6989 -0.0509 -0.0559 -0.0416 49 LEU d CG +37083 C CD1 . LEU V 39 ? 0.8629 0.6326 0.6427 -0.0505 -0.0592 -0.0436 49 LEU d CD1 +37084 C CD2 . LEU V 39 ? 0.8115 0.5733 0.5858 -0.0463 -0.0535 -0.0398 49 LEU d CD2 +37085 N N . THR V 40 ? 0.8452 0.6016 0.6298 -0.0652 -0.0533 -0.0448 50 THR d N +37086 C CA . THR V 40 ? 0.7424 0.4922 0.5250 -0.0695 -0.0526 -0.0462 50 THR d CA +37087 C C . THR V 40 ? 0.9185 0.6649 0.7006 -0.0692 -0.0491 -0.0439 50 THR d C +37088 O O . THR V 40 ? 0.8698 0.6070 0.6456 -0.0695 -0.0477 -0.0441 50 THR d O +37089 C CB . THR V 40 ? 0.9479 0.7032 0.7374 -0.0748 -0.0544 -0.0483 50 THR d CB +37090 O OG1 . THR V 40 ? 0.9337 0.6920 0.7235 -0.0749 -0.0579 -0.0506 50 THR d OG1 +37091 C CG2 . THR V 40 ? 0.8474 0.5958 0.6351 -0.0796 -0.0534 -0.0498 50 THR d CG2 +37092 N N . GLY V 41 ? 0.8552 0.6088 0.6437 -0.0686 -0.0478 -0.0417 51 GLY d N +37093 C CA . GLY V 41 ? 0.7987 0.5495 0.5870 -0.0685 -0.0446 -0.0395 51 GLY d CA +37094 C C . GLY V 41 ? 0.9105 0.6550 0.6918 -0.0636 -0.0428 -0.0377 51 GLY d C +37095 O O . GLY V 41 ? 0.9087 0.6455 0.6853 -0.0638 -0.0409 -0.0372 51 GLY d O +37096 N N . THR V 42 ? 0.8114 0.5594 0.5921 -0.0590 -0.0434 -0.0367 52 THR d N +37097 C CA . THR V 42 ? 0.9493 0.6919 0.7238 -0.0543 -0.0417 -0.0350 52 THR d CA +37098 C C . THR V 42 ? 0.9122 0.6444 0.6779 -0.0540 -0.0419 -0.0367 52 THR d C +37099 O O . THR V 42 ? 0.8859 0.6118 0.6460 -0.0510 -0.0401 -0.0355 52 THR d O +37100 C CB . THR V 42 ? 0.8775 0.6259 0.6530 -0.0497 -0.0421 -0.0337 52 THR d CB +37101 O OG1 . THR V 42 ? 0.8043 0.5547 0.5793 -0.0499 -0.0449 -0.0356 52 THR d OG1 +37102 C CG2 . THR V 42 ? 0.8003 0.5580 0.5838 -0.0493 -0.0413 -0.0315 52 THR d CG2 +37103 N N . THR V 43 ? 0.9738 0.7041 0.7381 -0.0568 -0.0442 -0.0394 53 THR d N +37104 C CA . THR V 43 ? 0.9224 0.6425 0.6780 -0.0565 -0.0446 -0.0412 53 THR d CA +37105 C C . THR V 43 ? 0.9147 0.6271 0.6676 -0.0602 -0.0433 -0.0419 53 THR d C +37106 O O . THR V 43 ? 0.9164 0.6195 0.6619 -0.0584 -0.0419 -0.0417 53 THR d O +37107 C CB . THR V 43 ? 0.9557 0.6768 0.7104 -0.0577 -0.0478 -0.0439 53 THR d CB +37108 O OG1 . THR V 43 ? 0.9111 0.6377 0.6665 -0.0535 -0.0486 -0.0430 53 THR d OG1 +37109 C CG2 . THR V 43 ? 0.9295 0.6399 0.6753 -0.0580 -0.0483 -0.0460 53 THR d CG2 +37110 N N . PHE V 44 ? 0.7987 0.5145 0.5575 -0.0652 -0.0435 -0.0425 54 PHE d N +37111 C CA . PHE V 44 ? 0.8854 0.5936 0.6415 -0.0696 -0.0427 -0.0438 54 PHE d CA +37112 C C . PHE V 44 ? 1.0574 0.7667 0.8176 -0.0719 -0.0402 -0.0421 54 PHE d C +37113 O O . PHE V 44 ? 0.9176 0.6188 0.6739 -0.0747 -0.0388 -0.0426 54 PHE d O +37114 C CB . PHE V 44 ? 0.9427 0.6522 0.7011 -0.0746 -0.0453 -0.0470 54 PHE d CB +37115 C CG . PHE V 44 ? 0.9963 0.7027 0.7496 -0.0731 -0.0478 -0.0492 54 PHE d CG +37116 C CD1 . PHE V 44 ? 1.0095 0.7049 0.7533 -0.0717 -0.0474 -0.0500 54 PHE d CD1 +37117 C CD2 . PHE V 44 ? 0.9671 0.6813 0.7246 -0.0731 -0.0507 -0.0505 54 PHE d CD2 +37118 C CE1 . PHE V 44 ? 0.9825 0.6747 0.7211 -0.0703 -0.0497 -0.0521 54 PHE d CE1 +37119 C CE2 . PHE V 44 ? 0.9716 0.6827 0.7239 -0.0717 -0.0530 -0.0525 54 PHE d CE2 +37120 C CZ . PHE V 44 ? 1.0211 0.7212 0.7640 -0.0704 -0.0526 -0.0534 54 PHE d CZ +37121 N N . VAL V 45 ? 0.9325 0.6509 0.6999 -0.0711 -0.0395 -0.0401 55 VAL d N +37122 C CA . VAL V 45 ? 0.9402 0.6608 0.7125 -0.0745 -0.0376 -0.0391 55 VAL d CA +37123 C C . VAL V 45 ? 0.9560 0.6749 0.7267 -0.0709 -0.0349 -0.0360 55 VAL d C +37124 O O . VAL V 45 ? 0.9748 0.6965 0.7449 -0.0659 -0.0347 -0.0343 55 VAL d O +37125 C CB . VAL V 45 ? 0.9609 0.6931 0.7430 -0.0770 -0.0389 -0.0394 55 VAL d CB +37126 C CG1 . VAL V 45 ? 0.8003 0.5352 0.5876 -0.0801 -0.0367 -0.0382 55 VAL d CG1 +37127 C CG2 . VAL V 45 ? 0.8684 0.6016 0.6519 -0.0809 -0.0417 -0.0427 55 VAL d CG2 +37128 N N . THR V 46 ? 0.8761 0.5902 0.6457 -0.0734 -0.0327 -0.0353 56 THR d N +37129 C CA . THR V 46 ? 0.9259 0.6369 0.6932 -0.0706 -0.0301 -0.0326 56 THR d CA +37130 C C . THR V 46 ? 0.9459 0.6663 0.7213 -0.0710 -0.0291 -0.0307 56 THR d C +37131 O O . THR V 46 ? 0.8699 0.5981 0.6525 -0.0742 -0.0301 -0.0315 56 THR d O +37132 C CB . THR V 46 ? 0.9771 0.6769 0.7380 -0.0731 -0.0283 -0.0328 56 THR d CB +37133 O OG1 . THR V 46 ? 0.9293 0.6248 0.6865 -0.0696 -0.0260 -0.0303 56 THR d OG1 +37134 C CG2 . THR V 46 ? 0.7790 0.4804 0.5448 -0.0795 -0.0276 -0.0338 56 THR d CG2 +37135 N N . SER V 47 ? 0.8422 0.5615 0.6163 -0.0678 -0.0271 -0.0281 57 SER d N +37136 C CA . SER V 47 ? 0.8304 0.5564 0.6108 -0.0685 -0.0258 -0.0263 57 SER d CA +37137 C C . SER V 47 ? 1.0029 0.7216 0.7793 -0.0691 -0.0231 -0.0248 57 SER d C +37138 O O . SER V 47 ? 0.8955 0.6172 0.6742 -0.0674 -0.0216 -0.0226 57 SER d O +37139 C CB . SER V 47 ? 0.8770 0.6108 0.6609 -0.0637 -0.0261 -0.0244 57 SER d CB +37140 O OG . SER V 47 ? 0.8361 0.5759 0.6229 -0.0629 -0.0285 -0.0257 57 SER d OG +37141 N N . TRP V 48 ? 0.8800 0.5886 0.6500 -0.0715 -0.0226 -0.0261 58 TRP d N +37142 C CA . TRP V 48 ? 0.8591 0.5589 0.6236 -0.0716 -0.0202 -0.0248 58 TRP d CA +37143 C C . TRP V 48 ? 0.8638 0.5661 0.6330 -0.0760 -0.0185 -0.0241 58 TRP d C +37144 O O . TRP V 48 ? 0.8912 0.5915 0.6590 -0.0746 -0.0165 -0.0220 58 TRP d O +37145 C CB . TRP V 48 ? 0.8855 0.5735 0.6415 -0.0730 -0.0202 -0.0265 58 TRP d CB +37146 C CG . TRP V 48 ? 1.0214 0.6984 0.7698 -0.0723 -0.0179 -0.0252 58 TRP d CG +37147 C CD1 . TRP V 48 ? 0.9288 0.5972 0.6731 -0.0767 -0.0165 -0.0260 58 TRP d CD1 +37148 C CD2 . TRP V 48 ? 1.0030 0.6763 0.7466 -0.0668 -0.0167 -0.0229 58 TRP d CD2 +37149 N NE1 . TRP V 48 ? 0.9218 0.5811 0.6589 -0.0742 -0.0146 -0.0242 58 TRP d NE1 +37150 C CE2 . TRP V 48 ? 1.0295 0.6917 0.7661 -0.0681 -0.0148 -0.0224 58 TRP d CE2 +37151 C CE3 . TRP V 48 ? 0.8667 0.5451 0.6115 -0.0611 -0.0172 -0.0212 58 TRP d CE3 +37152 C CZ2 . TRP V 48 ? 0.9859 0.6420 0.7165 -0.0635 -0.0134 -0.0203 58 TRP d CZ2 +37153 C CZ3 . TRP V 48 ? 0.9396 0.6124 0.6790 -0.0567 -0.0158 -0.0192 58 TRP d CZ3 +37154 C CH2 . TRP V 48 ? 1.0497 0.7115 0.7821 -0.0578 -0.0140 -0.0188 58 TRP d CH2 +37155 N N . TYR V 49 ? 0.8428 0.5496 0.6174 -0.0811 -0.0192 -0.0260 59 TYR d N +37156 C CA . TYR V 49 ? 0.8949 0.6038 0.6738 -0.0856 -0.0174 -0.0256 59 TYR d CA +37157 C C . TYR V 49 ? 0.9583 0.6782 0.7453 -0.0845 -0.0171 -0.0240 59 TYR d C +37158 O O . TYR V 49 ? 0.9970 0.7182 0.7868 -0.0870 -0.0152 -0.0231 59 TYR d O +37159 C CB . TYR V 49 ? 0.9584 0.6676 0.7401 -0.0918 -0.0181 -0.0284 59 TYR d CB +37160 C CG . TYR V 49 ? 1.0760 0.7738 0.8495 -0.0932 -0.0183 -0.0300 59 TYR d CG +37161 C CD1 . TYR V 49 ? 1.0349 0.7218 0.8014 -0.0944 -0.0159 -0.0293 59 TYR d CD1 +37162 C CD2 . TYR V 49 ? 1.1184 0.8159 0.8906 -0.0930 -0.0209 -0.0323 59 TYR d CD2 +37163 C CE1 . TYR V 49 ? 1.0557 0.7317 0.8143 -0.0955 -0.0160 -0.0307 59 TYR d CE1 +37164 C CE2 . TYR V 49 ? 1.2067 0.8934 0.9710 -0.0941 -0.0210 -0.0339 59 TYR d CE2 +37165 C CZ . TYR V 49 ? 1.2022 0.8782 0.9598 -0.0954 -0.0186 -0.0331 59 TYR d CZ +37166 O OH . TYR V 49 ? 1.2871 0.9518 1.0365 -0.0965 -0.0187 -0.0346 59 TYR d OH +37167 N N . THR V 50 ? 0.8822 0.6098 0.6729 -0.0808 -0.0190 -0.0237 60 THR d N +37168 C CA . THR V 50 ? 0.8244 0.5626 0.6227 -0.0796 -0.0191 -0.0224 60 THR d CA +37169 C C . THR V 50 ? 0.8201 0.5589 0.6167 -0.0741 -0.0183 -0.0198 60 THR d C +37170 O O . THR V 50 ? 0.8972 0.6417 0.6983 -0.0736 -0.0173 -0.0181 60 THR d O +37171 C CB . THR V 50 ? 0.8940 0.6413 0.6984 -0.0797 -0.0217 -0.0239 60 THR d CB +37172 O OG1 . THR V 50 ? 0.8777 0.6229 0.6778 -0.0756 -0.0234 -0.0242 60 THR d OG1 +37173 C CG2 . THR V 50 ? 0.7918 0.5400 0.5991 -0.0853 -0.0227 -0.0266 60 THR d CG2 +37174 N N . HIS V 51 ? 0.8989 0.6320 0.6890 -0.0700 -0.0187 -0.0194 61 HIS d N +37175 C CA . HIS V 51 ? 0.8230 0.5571 0.6116 -0.0645 -0.0183 -0.0172 61 HIS d CA +37176 C C . HIS V 51 ? 0.8732 0.5969 0.6530 -0.0616 -0.0171 -0.0163 61 HIS d C +37177 O O . HIS V 51 ? 0.8892 0.6134 0.6678 -0.0572 -0.0165 -0.0143 61 HIS d O +37178 C CB . HIS V 51 ? 0.8013 0.5413 0.5919 -0.0610 -0.0204 -0.0176 61 HIS d CB +37179 C CG . HIS V 51 ? 0.9472 0.6985 0.7464 -0.0621 -0.0215 -0.0177 61 HIS d CG +37180 N ND1 . HIS V 51 ? 0.8593 0.6177 0.6625 -0.0586 -0.0215 -0.0159 61 HIS d ND1 +37181 C CD2 . HIS V 51 ? 0.8280 0.5846 0.6328 -0.0661 -0.0227 -0.0194 61 HIS d CD2 +37182 C CE1 . HIS V 51 ? 0.9106 0.6779 0.7211 -0.0604 -0.0226 -0.0165 61 HIS d CE1 +37183 N NE2 . HIS V 51 ? 0.8926 0.6591 0.7042 -0.0648 -0.0234 -0.0186 61 HIS d NE2 +37184 N N . GLY V 52 ? 0.9089 0.6232 0.6825 -0.0637 -0.0169 -0.0176 62 GLY d N +37185 C CA . GLY V 52 ? 0.8305 0.5347 0.5953 -0.0605 -0.0161 -0.0170 62 GLY d CA +37186 C C . GLY V 52 ? 0.9544 0.6586 0.7164 -0.0557 -0.0175 -0.0173 62 GLY d C +37187 O O . GLY V 52 ? 0.9505 0.6497 0.7071 -0.0513 -0.0169 -0.0161 62 GLY d O +37188 N N . LEU V 53 ? 0.8610 0.5706 0.6264 -0.0564 -0.0195 -0.0189 63 LEU d N +37189 C CA . LEU V 53 ? 0.9036 0.6141 0.6669 -0.0520 -0.0209 -0.0192 63 LEU d CA +37190 C C . LEU V 53 ? 0.9372 0.6436 0.6971 -0.0539 -0.0225 -0.0218 63 LEU d C +37191 O O . LEU V 53 ? 0.9159 0.6243 0.6791 -0.0586 -0.0234 -0.0236 63 LEU d O +37192 C CB . LEU V 53 ? 0.8149 0.5370 0.5855 -0.0499 -0.0219 -0.0184 63 LEU d CB +37193 C CG . LEU V 53 ? 0.8128 0.5409 0.5880 -0.0482 -0.0206 -0.0160 63 LEU d CG +37194 C CD1 . LEU V 53 ? 0.7698 0.5091 0.5523 -0.0469 -0.0218 -0.0156 63 LEU d CD1 +37195 C CD2 . LEU V 53 ? 0.7941 0.5170 0.5638 -0.0434 -0.0194 -0.0143 63 LEU d CD2 +37196 N N . ALA V 54 ? 0.8167 0.5178 0.5704 -0.0500 -0.0229 -0.0222 64 ALA d N +37197 C CA . ALA V 54 ? 0.8469 0.5464 0.5983 -0.0505 -0.0248 -0.0244 64 ALA d CA +37198 C C . ALA V 54 ? 0.9284 0.6382 0.6856 -0.0485 -0.0263 -0.0244 64 ALA d C +37199 O O . ALA V 54 ? 1.0666 0.7818 0.8265 -0.0448 -0.0257 -0.0224 64 ALA d O +37200 C CB . ALA V 54 ? 0.8488 0.5382 0.5909 -0.0470 -0.0245 -0.0248 64 ALA d CB +37201 N N . SER V 55 ? 0.9155 0.6279 0.6744 -0.0509 -0.0284 -0.0265 65 SER d N +37202 C CA . SER V 55 ? 0.8874 0.6096 0.6520 -0.0495 -0.0299 -0.0265 65 SER d CA +37203 C C . SER V 55 ? 0.9924 0.7145 0.7555 -0.0503 -0.0323 -0.0289 65 SER d C +37204 O O . SER V 55 ? 0.8946 0.6249 0.6630 -0.0506 -0.0339 -0.0293 65 SER d O +37205 C CB . SER V 55 ? 0.8975 0.6288 0.6711 -0.0527 -0.0300 -0.0259 65 SER d CB +37206 O OG . SER V 55 ? 0.8928 0.6224 0.6678 -0.0583 -0.0304 -0.0276 65 SER d OG +37207 N N . SER V 56 ? 0.9658 0.6787 0.7215 -0.0506 -0.0327 -0.0306 66 SER d N +37208 C CA . SER V 56 ? 0.9864 0.6985 0.7402 -0.0516 -0.0351 -0.0331 66 SER d CA +37209 C C . SER V 56 ? 0.8719 0.5760 0.6170 -0.0476 -0.0350 -0.0336 66 SER d C +37210 O O . SER V 56 ? 0.9101 0.6076 0.6501 -0.0452 -0.0332 -0.0325 66 SER d O +37211 C CB . SER V 56 ? 0.8785 0.5876 0.6328 -0.0575 -0.0361 -0.0354 66 SER d CB +37212 O OG . SER V 56 ? 1.0212 0.7200 0.7692 -0.0586 -0.0345 -0.0356 66 SER d OG +37213 N N . TYR V 57 ? 0.8860 0.5912 0.6295 -0.0467 -0.0370 -0.0352 67 TYR d N +37214 C CA . TYR V 57 ? 1.1089 0.8059 0.8437 -0.0434 -0.0371 -0.0361 67 TYR d CA +37215 C C . TYR V 57 ? 0.9722 0.6580 0.7005 -0.0459 -0.0365 -0.0375 67 TYR d C +37216 O O . TYR V 57 ? 0.9363 0.6141 0.6575 -0.0428 -0.0352 -0.0371 67 TYR d O +37217 C CB . TYR V 57 ? 0.8196 0.5188 0.5534 -0.0427 -0.0395 -0.0379 67 TYR d CB +37218 C CG . TYR V 57 ? 0.9206 0.6300 0.6599 -0.0401 -0.0400 -0.0366 67 TYR d CG +37219 C CD1 . TYR V 57 ? 0.8883 0.6004 0.6282 -0.0355 -0.0381 -0.0341 67 TYR d CD1 +37220 C CD2 . TYR V 57 ? 0.8933 0.6096 0.6375 -0.0424 -0.0424 -0.0378 67 TYR d CD2 +37221 C CE1 . TYR V 57 ? 0.8933 0.6145 0.6383 -0.0334 -0.0384 -0.0328 67 TYR d CE1 +37222 C CE2 . TYR V 57 ? 0.9089 0.6340 0.6578 -0.0400 -0.0428 -0.0365 67 TYR d CE2 +37223 C CZ . TYR V 57 ? 0.8697 0.5972 0.6190 -0.0356 -0.0407 -0.0340 67 TYR d CZ +37224 O OH . TYR V 57 ? 0.8771 0.6131 0.6310 -0.0334 -0.0410 -0.0327 67 TYR d OH +37225 N N . LEU V 58 ? 0.9175 0.6030 0.6484 -0.0515 -0.0374 -0.0391 68 LEU d N +37226 C CA . LEU V 58 ? 0.8678 0.5427 0.5928 -0.0545 -0.0369 -0.0405 68 LEU d CA +37227 C C . LEU V 58 ? 1.0606 0.7296 0.7822 -0.0528 -0.0341 -0.0384 68 LEU d C +37228 O O . LEU V 58 ? 1.0112 0.6695 0.7249 -0.0522 -0.0333 -0.0389 68 LEU d O +37229 C CB . LEU V 58 ? 0.8638 0.5411 0.5938 -0.0611 -0.0380 -0.0423 68 LEU d CB +37230 C CG . LEU V 58 ? 1.0114 0.6781 0.7359 -0.0652 -0.0376 -0.0440 68 LEU d CG +37231 C CD1 . LEU V 58 ? 0.9259 0.5833 0.6414 -0.0637 -0.0388 -0.0461 68 LEU d CD1 +37232 C CD2 . LEU V 58 ? 1.0023 0.6730 0.7330 -0.0718 -0.0387 -0.0457 68 LEU d CD2 +37233 N N . GLU V 59 ? 0.9256 0.6011 0.6529 -0.0517 -0.0327 -0.0359 69 GLU d N +37234 C CA . GLU V 59 ? 0.9016 0.5718 0.6258 -0.0497 -0.0302 -0.0338 69 GLU d CA +37235 C C . GLU V 59 ? 0.8649 0.5331 0.5846 -0.0432 -0.0292 -0.0323 69 GLU d C +37236 O O . GLU V 59 ? 1.0277 0.6910 0.7440 -0.0410 -0.0273 -0.0307 69 GLU d O +37237 C CB . GLU V 59 ? 0.8522 0.5296 0.5838 -0.0514 -0.0290 -0.0318 69 GLU d CB +37238 C CG . GLU V 59 ? 1.0307 0.7092 0.7665 -0.0580 -0.0294 -0.0332 69 GLU d CG +37239 C CD . GLU V 59 ? 0.9629 0.6507 0.7073 -0.0596 -0.0286 -0.0315 69 GLU d CD +37240 O OE1 . GLU V 59 ? 0.9484 0.6463 0.6993 -0.0588 -0.0298 -0.0313 69 GLU d OE1 +37241 O OE2 . GLU V 59 ? 0.9588 0.6435 0.7031 -0.0616 -0.0267 -0.0304 69 GLU d OE2 +37242 N N . GLY V 60 ? 0.8528 0.5247 0.5722 -0.0399 -0.0304 -0.0327 70 GLY d N +37243 C CA . GLY V 60 ? 0.9662 0.6368 0.6818 -0.0337 -0.0293 -0.0314 70 GLY d CA +37244 C C . GLY V 60 ? 1.0399 0.7213 0.7621 -0.0306 -0.0290 -0.0293 70 GLY d C +37245 O O . GLY V 60 ? 0.9817 0.6628 0.7015 -0.0254 -0.0280 -0.0281 70 GLY d O +37246 N N . CYS V 61 ? 0.9115 0.6021 0.6418 -0.0334 -0.0298 -0.0290 71 CYS d N +37247 C CA . CYS V 61 ? 0.8616 0.5623 0.5980 -0.0306 -0.0297 -0.0272 71 CYS d CA +37248 C C . CYS V 61 ? 0.9704 0.6741 0.7058 -0.0280 -0.0310 -0.0281 71 CYS d C +37249 O O . CYS V 61 ? 0.9133 0.6134 0.6452 -0.0295 -0.0326 -0.0304 71 CYS d O +37250 C CB . CYS V 61 ? 0.8227 0.5321 0.5678 -0.0344 -0.0302 -0.0267 71 CYS d CB +37251 S SG . CYS V 61 ? 0.9133 0.6211 0.6606 -0.0368 -0.0282 -0.0251 71 CYS d SG +37252 N N . ASN V 62 ? 0.8832 0.5938 0.6219 -0.0242 -0.0304 -0.0264 72 ASN d N +37253 C CA . ASN V 62 ? 0.9258 0.6402 0.6642 -0.0217 -0.0314 -0.0269 72 ASN d CA +37254 C C . ASN V 62 ? 0.9513 0.6762 0.6979 -0.0236 -0.0325 -0.0265 72 ASN d C +37255 O O . ASN V 62 ? 0.8866 0.6155 0.6389 -0.0270 -0.0327 -0.0260 72 ASN d O +37256 C CB . ASN V 62 ? 0.8613 0.5751 0.5967 -0.0159 -0.0297 -0.0255 72 ASN d CB +37257 C CG . ASN V 62 ? 0.9325 0.6526 0.6734 -0.0141 -0.0281 -0.0229 72 ASN d CG +37258 O OD1 . ASN V 62 ? 0.9243 0.6531 0.6722 -0.0153 -0.0285 -0.0220 72 ASN d OD1 +37259 N ND2 . ASN V 62 ? 0.8501 0.5658 0.5877 -0.0110 -0.0263 -0.0217 72 ASN d ND2 +37260 N N . PHE V 63 ? 0.8293 0.5584 0.5761 -0.0213 -0.0334 -0.0266 73 PHE d N +37261 C CA . PHE V 63 ? 0.8268 0.5652 0.5806 -0.0229 -0.0347 -0.0264 73 PHE d CA +37262 C C . PHE V 63 ? 0.9467 0.6925 0.7075 -0.0225 -0.0333 -0.0239 73 PHE d C +37263 O O . PHE V 63 ? 0.8278 0.5799 0.5950 -0.0254 -0.0342 -0.0238 73 PHE d O +37264 C CB . PHE V 63 ? 0.7917 0.5326 0.5437 -0.0199 -0.0355 -0.0267 73 PHE d CB +37265 C CG . PHE V 63 ? 0.9251 0.6756 0.6838 -0.0205 -0.0365 -0.0260 73 PHE d CG +37266 C CD1 . PHE V 63 ? 0.8671 0.6210 0.6299 -0.0246 -0.0387 -0.0273 73 PHE d CD1 +37267 C CD2 . PHE V 63 ? 0.9046 0.6607 0.6659 -0.0171 -0.0352 -0.0240 73 PHE d CD2 +37268 C CE1 . PHE V 63 ? 0.9296 0.6920 0.6983 -0.0249 -0.0396 -0.0266 73 PHE d CE1 +37269 C CE2 . PHE V 63 ? 0.8914 0.6559 0.6586 -0.0177 -0.0361 -0.0233 73 PHE d CE2 +37270 C CZ . PHE V 63 ? 0.9453 0.7128 0.7162 -0.0215 -0.0383 -0.0245 73 PHE d CZ +37271 N N . LEU V 64 ? 0.8198 0.5648 0.5796 -0.0190 -0.0312 -0.0221 74 LEU d N +37272 C CA . LEU V 64 ? 0.8414 0.5930 0.6075 -0.0186 -0.0300 -0.0199 74 LEU d CA +37273 C C . LEU V 64 ? 0.8869 0.6371 0.6554 -0.0222 -0.0296 -0.0197 74 LEU d C +37274 O O . LEU V 64 ? 0.8613 0.6179 0.6361 -0.0234 -0.0293 -0.0183 74 LEU d O +37275 C CB . LEU V 64 ? 0.8280 0.5794 0.5923 -0.0138 -0.0280 -0.0182 74 LEU d CB +37276 C CG . LEU V 64 ? 0.8603 0.6134 0.6224 -0.0100 -0.0279 -0.0182 74 LEU d CG +37277 C CD1 . LEU V 64 ? 0.9381 0.6910 0.6988 -0.0054 -0.0258 -0.0166 74 LEU d CD1 +37278 C CD2 . LEU V 64 ? 0.8967 0.6584 0.6645 -0.0107 -0.0289 -0.0178 74 LEU d CD2 +37279 N N . THR V 65 ? 0.8179 0.5596 0.5814 -0.0239 -0.0295 -0.0209 75 THR d N +37280 C CA . THR V 65 ? 0.8068 0.5470 0.5723 -0.0269 -0.0287 -0.0203 75 THR d CA +37281 C C . THR V 65 ? 0.8472 0.5866 0.6144 -0.0324 -0.0301 -0.0221 75 THR d C +37282 O O . THR V 65 ? 0.9144 0.6535 0.6841 -0.0352 -0.0293 -0.0216 75 THR d O +37283 C CB . THR V 65 ? 0.8843 0.6157 0.6434 -0.0250 -0.0271 -0.0198 75 THR d CB +37284 O OG1 . THR V 65 ? 0.9246 0.6474 0.6765 -0.0252 -0.0277 -0.0217 75 THR d OG1 +37285 C CG2 . THR V 65 ? 0.8564 0.5897 0.6149 -0.0197 -0.0257 -0.0179 75 THR d CG2 +37286 N N . VAL V 66 ? 0.7853 0.5242 0.5512 -0.0339 -0.0320 -0.0242 76 VAL d N +37287 C CA . VAL V 66 ? 0.8539 0.5935 0.6226 -0.0391 -0.0334 -0.0259 76 VAL d CA +37288 C C . VAL V 66 ? 0.9152 0.6648 0.6927 -0.0410 -0.0338 -0.0250 76 VAL d C +37289 O O . VAL V 66 ? 0.7999 0.5564 0.5811 -0.0385 -0.0339 -0.0238 76 VAL d O +37290 C CB . VAL V 66 ? 0.9728 0.7104 0.7385 -0.0401 -0.0357 -0.0284 76 VAL d CB +37291 C CG1 . VAL V 66 ? 0.8076 0.5343 0.5642 -0.0391 -0.0355 -0.0297 76 VAL d CG1 +37292 C CG2 . VAL V 66 ? 0.7695 0.5137 0.5372 -0.0372 -0.0369 -0.0281 76 VAL d CG2 +37293 N N . ALA V 67 ? 0.7882 0.5384 0.5691 -0.0457 -0.0341 -0.0259 77 ALA d N +37294 C CA . ALA V 67 ? 0.8749 0.6345 0.6642 -0.0478 -0.0348 -0.0254 77 ALA d CA +37295 C C . ALA V 67 ? 0.7818 0.5411 0.5736 -0.0533 -0.0358 -0.0275 77 ALA d C +37296 O O . ALA V 67 ? 0.9019 0.6536 0.6892 -0.0556 -0.0354 -0.0287 77 ALA d O +37297 C CB . ALA V 67 ? 0.8524 0.6155 0.6454 -0.0467 -0.0326 -0.0229 77 ALA d CB +37298 N N . VAL V 68 ? 0.8177 0.5854 0.6166 -0.0554 -0.0370 -0.0278 78 VAL d N +37299 C CA . VAL V 68 ? 0.7991 0.5687 0.6027 -0.0605 -0.0372 -0.0289 78 VAL d CA +37300 C C . VAL V 68 ? 0.8483 0.6222 0.6566 -0.0604 -0.0351 -0.0266 78 VAL d C +37301 O O . VAL V 68 ? 0.8693 0.6511 0.6829 -0.0588 -0.0354 -0.0254 78 VAL d O +37302 C CB . VAL V 68 ? 0.8094 0.5859 0.6182 -0.0628 -0.0398 -0.0308 78 VAL d CB +37303 C CG1 . VAL V 68 ? 0.7899 0.5692 0.6042 -0.0680 -0.0397 -0.0318 78 VAL d CG1 +37304 C CG2 . VAL V 68 ? 0.8559 0.6276 0.6594 -0.0629 -0.0420 -0.0332 78 VAL d CG2 +37305 N N . SER V 69 ? 0.7721 0.5404 0.5782 -0.0620 -0.0330 -0.0260 79 SER d N +37306 C CA . SER V 69 ? 0.7575 0.5284 0.5668 -0.0617 -0.0309 -0.0237 79 SER d CA +37307 C C . SER V 69 ? 0.8908 0.6677 0.7074 -0.0661 -0.0309 -0.0243 79 SER d C +37308 O O . SER V 69 ? 0.8730 0.6498 0.6910 -0.0701 -0.0320 -0.0265 79 SER d O +37309 C CB . SER V 69 ? 0.7753 0.5372 0.5785 -0.0611 -0.0287 -0.0227 79 SER d CB +37310 O OG . SER V 69 ? 0.7769 0.5334 0.5736 -0.0568 -0.0286 -0.0223 79 SER d OG +37311 N N . THR V 70 ? 0.8565 0.6388 0.6777 -0.0653 -0.0296 -0.0223 80 THR d N +37312 C CA . THR V 70 ? 0.7643 0.5526 0.5925 -0.0690 -0.0291 -0.0225 80 THR d CA +37313 C C . THR V 70 ? 0.8002 0.5826 0.6267 -0.0734 -0.0276 -0.0234 80 THR d C +37314 O O . THR V 70 ? 0.7825 0.5561 0.6024 -0.0729 -0.0262 -0.0229 80 THR d O +37315 C CB . THR V 70 ? 0.7959 0.5895 0.6279 -0.0667 -0.0277 -0.0201 80 THR d CB +37316 O OG1 . THR V 70 ? 0.7396 0.5265 0.5661 -0.0645 -0.0257 -0.0183 80 THR d OG1 +37317 C CG2 . THR V 70 ? 0.7235 0.5237 0.5581 -0.0630 -0.0292 -0.0193 80 THR d CG2 +37318 N N . PRO V 71 ? 0.8965 0.6836 0.7289 -0.0778 -0.0277 -0.0246 81 PRO d N +37319 C CA . PRO V 71 ? 0.7632 0.5451 0.5945 -0.0823 -0.0259 -0.0252 81 PRO d CA +37320 C C . PRO V 71 ? 0.8815 0.6601 0.7108 -0.0814 -0.0230 -0.0228 81 PRO d C +37321 O O . PRO V 71 ? 0.9109 0.6927 0.7413 -0.0778 -0.0224 -0.0207 81 PRO d O +37322 C CB . PRO V 71 ? 0.8329 0.6229 0.6724 -0.0865 -0.0266 -0.0268 81 PRO d CB +37323 C CG . PRO V 71 ? 0.8107 0.6085 0.6543 -0.0843 -0.0294 -0.0275 81 PRO d CG +37324 C CD . PRO V 71 ? 0.7848 0.5821 0.6251 -0.0787 -0.0294 -0.0254 81 PRO d CD +37325 N N . ALA V 72 ? 0.8255 0.5977 0.6522 -0.0850 -0.0211 -0.0232 82 ALA d N +37326 C CA . ALA V 72 ? 0.8265 0.5944 0.6506 -0.0847 -0.0183 -0.0211 82 ALA d CA +37327 C C . ALA V 72 ? 0.8647 0.6411 0.6960 -0.0852 -0.0173 -0.0199 82 ALA d C +37328 O O . ALA V 72 ? 0.8137 0.5974 0.6520 -0.0882 -0.0181 -0.0212 82 ALA d O +37329 C CB . ALA V 72 ? 0.8238 0.5832 0.6438 -0.0891 -0.0166 -0.0220 82 ALA d CB +37330 N N . ASN V 73 ? 0.8546 0.6298 0.6841 -0.0823 -0.0157 -0.0174 83 ASN d N +37331 C CA . ASN V 73 ? 0.7663 0.5487 0.6019 -0.0826 -0.0146 -0.0161 83 ASN d CA +37332 C C . ASN V 73 ? 0.9184 0.7024 0.7580 -0.0881 -0.0132 -0.0173 83 ASN d C +37333 O O . ASN V 73 ? 0.8207 0.6133 0.6677 -0.0893 -0.0132 -0.0174 83 ASN d O +37334 C CB . ASN V 73 ? 0.7912 0.5703 0.6231 -0.0792 -0.0128 -0.0135 83 ASN d CB +37335 C CG . ASN V 73 ? 0.7677 0.5547 0.6057 -0.0787 -0.0120 -0.0121 83 ASN d CG +37336 O OD1 . ASN V 73 ? 0.8310 0.6257 0.6736 -0.0763 -0.0135 -0.0118 83 ASN d OD1 +37337 N ND2 . ASN V 73 ? 0.8310 0.6162 0.6692 -0.0811 -0.0097 -0.0113 83 ASN d ND2 +37338 N N . SER V 74 ? 0.7839 0.5597 0.6190 -0.0916 -0.0119 -0.0182 84 SER d N +37339 C CA . SER V 74 ? 0.8615 0.6384 0.7003 -0.0971 -0.0103 -0.0193 84 SER d CA +37340 C C . SER V 74 ? 0.8757 0.6611 0.7221 -0.1001 -0.0122 -0.0217 84 SER d C +37341 O O . SER V 74 ? 0.8974 0.6871 0.7493 -0.1042 -0.0111 -0.0226 84 SER d O +37342 C CB . SER V 74 ? 0.7863 0.5521 0.6181 -0.1002 -0.0086 -0.0199 84 SER d CB +37343 O OG . SER V 74 ? 1.0154 0.7758 0.8426 -0.1000 -0.0104 -0.0215 84 SER d OG +37344 N N . MET V 75 ? 0.7878 0.5759 0.6348 -0.0980 -0.0151 -0.0229 85 MET d N +37345 C CA . MET V 75 ? 0.9446 0.7411 0.7989 -0.1005 -0.0172 -0.0252 85 MET d CA +37346 C C . MET V 75 ? 0.9862 0.7937 0.8486 -0.0992 -0.0176 -0.0244 85 MET d C +37347 O O . MET V 75 ? 0.9587 0.7737 0.8278 -0.1015 -0.0191 -0.0262 85 MET d O +37348 C CB . MET V 75 ? 0.7686 0.5643 0.6206 -0.0987 -0.0203 -0.0267 85 MET d CB +37349 C CG . MET V 75 ? 1.0339 0.8183 0.8773 -0.0993 -0.0201 -0.0274 85 MET d CG +37350 S SD . MET V 75 ? 1.0976 0.8752 0.9393 -0.1062 -0.0182 -0.0293 85 MET d SD +37351 C CE . MET V 75 ? 0.8619 0.6508 0.7140 -0.1102 -0.0201 -0.0319 85 MET d CE +37352 N N . GLY V 76 ? 0.8672 0.6757 0.7291 -0.0958 -0.0164 -0.0219 86 GLY d N +37353 C CA . GLY V 76 ? 0.7248 0.5434 0.5938 -0.0942 -0.0170 -0.0212 86 GLY d CA +37354 C C . GLY V 76 ? 0.7981 0.6228 0.6702 -0.0919 -0.0203 -0.0222 86 GLY d C +37355 O O . GLY V 76 ? 0.7681 0.5892 0.6354 -0.0888 -0.0217 -0.0220 86 GLY d O +37356 N N . HIS V 77 ? 0.8021 0.6359 0.6819 -0.0933 -0.0214 -0.0233 87 HIS d N +37357 C CA . HIS V 77 ? 0.7514 0.5915 0.6346 -0.0914 -0.0246 -0.0245 87 HIS d CA +37358 C C . HIS V 77 ? 0.8040 0.6461 0.6903 -0.0954 -0.0263 -0.0275 87 HIS d C +37359 O O . HIS V 77 ? 0.7258 0.5757 0.6180 -0.0955 -0.0285 -0.0288 87 HIS d O +37360 C CB . HIS V 77 ? 0.7030 0.5523 0.5926 -0.0893 -0.0250 -0.0234 87 HIS d CB +37361 C CG . HIS V 77 ? 0.8256 0.6735 0.7127 -0.0856 -0.0233 -0.0206 87 HIS d CG +37362 N ND1 . HIS V 77 ? 0.7354 0.5832 0.6237 -0.0867 -0.0206 -0.0192 87 HIS d ND1 +37363 C CD2 . HIS V 77 ? 0.8112 0.6578 0.6948 -0.0811 -0.0240 -0.0189 87 HIS d CD2 +37364 C CE1 . HIS V 77 ? 0.8619 0.7083 0.7475 -0.0829 -0.0198 -0.0169 87 HIS d CE1 +37365 N NE2 . HIS V 77 ? 0.7621 0.6079 0.6450 -0.0795 -0.0218 -0.0167 87 HIS d NE2 +37366 N N . SER V 78 ? 0.8826 0.7174 0.7648 -0.0986 -0.0254 -0.0287 88 SER d N +37367 C CA . SER V 78 ? 0.7813 0.6174 0.6660 -0.1027 -0.0271 -0.0317 88 SER d CA +37368 C C . SER V 78 ? 0.7538 0.5922 0.6381 -0.1004 -0.0307 -0.0331 88 SER d C +37369 O O . SER V 78 ? 0.7164 0.5502 0.5948 -0.0966 -0.0316 -0.0321 88 SER d O +37370 C CB . SER V 78 ? 0.8296 0.6559 0.7084 -0.1061 -0.0255 -0.0325 88 SER d CB +37371 O OG . SER V 78 ? 0.8502 0.6777 0.7315 -0.1101 -0.0272 -0.0355 88 SER d OG +37372 N N . LEU V 79 ? 0.7606 0.6062 0.6513 -0.1026 -0.0329 -0.0354 89 LEU d N +37373 C CA . LEU V 79 ? 0.7163 0.5633 0.6062 -0.1012 -0.0365 -0.0372 89 LEU d CA +37374 C C . LEU V 79 ? 0.8279 0.6654 0.7103 -0.1022 -0.0370 -0.0384 89 LEU d C +37375 O O . LEU V 79 ? 0.7905 0.6260 0.6690 -0.0995 -0.0394 -0.0389 89 LEU d O +37376 C CB . LEU V 79 ? 0.8024 0.6584 0.7005 -0.1040 -0.0387 -0.0397 89 LEU d CB +37377 C CG . LEU V 79 ? 0.8541 0.7200 0.7598 -0.1024 -0.0388 -0.0388 89 LEU d CG +37378 C CD1 . LEU V 79 ? 0.8638 0.7383 0.7780 -0.1058 -0.0403 -0.0414 89 LEU d CD1 +37379 C CD2 . LEU V 79 ? 0.8682 0.7365 0.7724 -0.0969 -0.0408 -0.0374 89 LEU d CD2 +37380 N N . LEU V 80 ? 0.7663 0.5973 0.6461 -0.1059 -0.0346 -0.0387 90 LEU d N +37381 C CA . LEU V 80 ? 0.7602 0.5814 0.6326 -0.1073 -0.0347 -0.0398 90 LEU d CA +37382 C C . LEU V 80 ? 0.8145 0.6374 0.6877 -0.1088 -0.0382 -0.0429 90 LEU d C +37383 O O . LEU V 80 ? 0.8315 0.6490 0.6986 -0.1066 -0.0399 -0.0434 90 LEU d O +37384 C CB . LEU V 80 ? 0.7779 0.5915 0.6419 -0.1026 -0.0339 -0.0375 90 LEU d CB +37385 C CG . LEU V 80 ? 0.9860 0.7910 0.8446 -0.1033 -0.0305 -0.0357 90 LEU d CG +37386 C CD1 . LEU V 80 ? 0.9555 0.7545 0.8067 -0.0981 -0.0301 -0.0336 90 LEU d CD1 +37387 C CD2 . LEU V 80 ? 0.9875 0.7850 0.8427 -0.1081 -0.0297 -0.0377 90 LEU d CD2 +37388 N N . LEU V 81 ? 0.8527 0.6834 0.7338 -0.1122 -0.0394 -0.0450 91 LEU d N +37389 C CA . LEU V 81 ? 0.9458 0.7786 0.8283 -0.1141 -0.0428 -0.0482 91 LEU d CA +37390 C C . LEU V 81 ? 1.0012 0.8246 0.8781 -0.1179 -0.0423 -0.0499 91 LEU d C +37391 O O . LEU V 81 ? 0.8927 0.7108 0.7679 -0.1208 -0.0391 -0.0492 91 LEU d O +37392 C CB . LEU V 81 ? 0.8576 0.7012 0.7504 -0.1173 -0.0440 -0.0501 91 LEU d CB +37393 C CG . LEU V 81 ? 0.8985 0.7518 0.7978 -0.1143 -0.0442 -0.0485 91 LEU d CG +37394 C CD1 . LEU V 81 ? 0.8031 0.6665 0.7122 -0.1176 -0.0454 -0.0508 91 LEU d CD1 +37395 C CD2 . LEU V 81 ? 0.7760 0.6304 0.6724 -0.1087 -0.0468 -0.0475 91 LEU d CD2 +37396 N N . LEU V 82 ? 0.9047 0.7254 0.7781 -0.1176 -0.0453 -0.0520 92 LEU d N +37397 C CA . LEU V 82 ? 0.8432 0.6549 0.7110 -0.1211 -0.0451 -0.0539 92 LEU d CA +37398 C C . LEU V 82 ? 0.7902 0.6035 0.6633 -0.1276 -0.0436 -0.0557 92 LEU d C +37399 O O . LEU V 82 ? 0.8844 0.6898 0.7535 -0.1305 -0.0408 -0.0553 92 LEU d O +37400 C CB . LEU V 82 ? 0.8120 0.6231 0.6774 -0.1204 -0.0492 -0.0564 92 LEU d CB +37401 C CG . LEU V 82 ? 0.9187 0.7206 0.7782 -0.1240 -0.0496 -0.0589 92 LEU d CG +37402 C CD1 . LEU V 82 ? 0.8656 0.6553 0.7155 -0.1227 -0.0467 -0.0569 92 LEU d CD1 +37403 C CD2 . LEU V 82 ? 0.8666 0.6687 0.7238 -0.1226 -0.0539 -0.0613 92 LEU d CD2 +37404 N N . TRP V 83 ? 0.8722 0.6960 0.7545 -0.1298 -0.0452 -0.0574 93 TRP d N +37405 C CA . TRP V 83 ? 0.8380 0.6649 0.7266 -0.1360 -0.0437 -0.0592 93 TRP d CA +37406 C C . TRP V 83 ? 0.8373 0.6672 0.7299 -0.1366 -0.0399 -0.0569 93 TRP d C +37407 O O . TRP V 83 ? 0.9442 0.7795 0.8439 -0.1412 -0.0388 -0.0582 93 TRP d O +37408 C CB . TRP V 83 ? 0.8155 0.6530 0.7127 -0.1379 -0.0472 -0.0623 93 TRP d CB +37409 C CG . TRP V 83 ? 0.9616 0.8089 0.8643 -0.1337 -0.0487 -0.0610 93 TRP d CG +37410 C CD1 . TRP V 83 ? 0.8734 0.7292 0.7839 -0.1339 -0.0471 -0.0600 93 TRP d CD1 +37411 C CD2 . TRP V 83 ? 0.9391 0.7887 0.8399 -0.1284 -0.0520 -0.0607 93 TRP d CD2 +37412 N NE1 . TRP V 83 ? 0.9647 0.8277 0.8781 -0.1292 -0.0493 -0.0591 93 TRP d NE1 +37413 C CE2 . TRP V 83 ? 0.8662 0.7255 0.7737 -0.1258 -0.0523 -0.0594 93 TRP d CE2 +37414 C CE3 . TRP V 83 ? 0.9778 0.8218 0.8715 -0.1257 -0.0547 -0.0614 93 TRP d CE3 +37415 C CZ2 . TRP V 83 ? 0.9366 0.8002 0.8440 -0.1207 -0.0551 -0.0588 93 TRP d CZ2 +37416 C CZ3 . TRP V 83 ? 0.8953 0.7436 0.7889 -0.1207 -0.0574 -0.0607 93 TRP d CZ3 +37417 C CH2 . TRP V 83 ? 1.0186 0.8766 0.9190 -0.1182 -0.0576 -0.0594 93 TRP d CH2 +37418 N N . GLY V 84 ? 0.9705 0.7974 0.8590 -0.1322 -0.0380 -0.0535 94 GLY d N +37419 C CA . GLY V 84 ? 0.7210 0.5508 0.6130 -0.1324 -0.0346 -0.0513 94 GLY d CA +37420 C C . GLY V 84 ? 1.0009 0.8222 0.8890 -0.1364 -0.0308 -0.0507 94 GLY d C +37421 O O . GLY V 84 ? 0.8969 0.7093 0.7789 -0.1387 -0.0306 -0.0519 94 GLY d O +37422 N N . PRO V 85 ? 0.9109 0.7346 0.8021 -0.1371 -0.0275 -0.0489 95 PRO d N +37423 C CA . PRO V 85 ? 0.9649 0.7809 0.8527 -0.1411 -0.0237 -0.0483 95 PRO d CA +37424 C C . PRO V 85 ? 1.0362 0.8399 0.9131 -0.1385 -0.0220 -0.0461 95 PRO d C +37425 O O . PRO V 85 ? 1.0067 0.8022 0.8792 -0.1417 -0.0191 -0.0457 95 PRO d O +37426 C CB . PRO V 85 ? 1.0465 0.8695 0.9407 -0.1416 -0.0210 -0.0467 95 PRO d CB +37427 C CG . PRO V 85 ? 0.8951 0.7255 0.7922 -0.1359 -0.0229 -0.0451 95 PRO d CG +37428 C CD . PRO V 85 ? 0.8578 0.6910 0.7554 -0.1342 -0.0273 -0.0472 95 PRO d CD +37429 N N . GLU V 86 ? 0.8644 0.6662 0.7367 -0.1328 -0.0238 -0.0446 96 GLU d N +37430 C CA . GLU V 86 ? 0.9035 0.6940 0.7658 -0.1299 -0.0222 -0.0425 96 GLU d CA +37431 C C . GLU V 86 ? 0.9394 0.7211 0.7946 -0.1308 -0.0238 -0.0443 96 GLU d C +37432 O O . GLU V 86 ? 0.9923 0.7635 0.8405 -0.1325 -0.0217 -0.0439 96 GLU d O +37433 C CB . GLU V 86 ? 0.8756 0.6684 0.7363 -0.1233 -0.0229 -0.0398 96 GLU d CB +37434 C CG . GLU V 86 ? 0.8337 0.6351 0.7011 -0.1221 -0.0215 -0.0380 96 GLU d CG +37435 C CD . GLU V 86 ? 0.7915 0.6052 0.6679 -0.1214 -0.0241 -0.0392 96 GLU d CD +37436 O OE1 . GLU V 86 ? 0.8224 0.6389 0.7003 -0.1217 -0.0273 -0.0414 96 GLU d OE1 +37437 O OE2 . GLU V 86 ? 0.9068 0.7274 0.7886 -0.1205 -0.0230 -0.0378 96 GLU d OE2 +37438 N N . ALA V 87 ? 0.9730 0.7585 0.8296 -0.1294 -0.0275 -0.0461 97 ALA d N +37439 C CA . ALA V 87 ? 0.9348 0.7125 0.7850 -0.1302 -0.0293 -0.0481 97 ALA d CA +37440 C C . ALA V 87 ? 1.1069 0.8855 0.9608 -0.1367 -0.0300 -0.0515 97 ALA d C +37441 O O . ALA V 87 ? 1.0007 0.7703 0.8485 -0.1390 -0.0301 -0.0530 97 ALA d O +37442 C CB . ALA V 87 ? 0.8534 0.6341 0.7025 -0.1254 -0.0329 -0.0485 97 ALA d CB +37443 N N . GLN V 88 ? 0.9029 0.6923 0.7666 -0.1394 -0.0307 -0.0528 98 GLN d N +37444 C CA . GLN V 88 ? 1.0218 0.8135 0.8904 -0.1459 -0.0311 -0.0561 98 GLN d CA +37445 C C . GLN V 88 ? 1.0505 0.8393 0.9162 -0.1469 -0.0346 -0.0591 98 GLN d C +37446 O O . GLN V 88 ? 1.2515 1.0349 1.1154 -0.1518 -0.0343 -0.0613 98 GLN d O +37447 C CB . GLN V 88 ? 1.0108 0.7950 0.8768 -0.1507 -0.0270 -0.0557 98 GLN d CB +37448 C CG . GLN V 88 ? 1.2107 0.9995 1.0812 -0.1508 -0.0237 -0.0533 98 GLN d CG +37449 C CD . GLN V 88 ? 1.1779 0.9570 1.0430 -0.1538 -0.0194 -0.0520 98 GLN d CD +37450 O OE1 . GLN V 88 ? 1.4251 1.1927 1.2814 -0.1542 -0.0188 -0.0519 98 GLN d OE1 +37451 N NE2 . GLN V 88 ? 1.7518 1.5352 1.6218 -0.1557 -0.0164 -0.0508 98 GLN d NE2 +37452 N N . GLY V 89 ? 1.0448 0.8371 0.9100 -0.1422 -0.0380 -0.0592 99 GLY d N +37453 C CA . GLY V 89 ? 0.9366 0.7274 0.7997 -0.1428 -0.0417 -0.0621 99 GLY d CA +37454 C C . GLY V 89 ? 0.9230 0.7013 0.7749 -0.1408 -0.0418 -0.0618 99 GLY d C +37455 O O . GLY V 89 ? 0.9783 0.7552 0.8275 -0.1400 -0.0451 -0.0639 99 GLY d O +37456 N N . ASP V 90 ? 1.0906 0.8598 0.9358 -0.1398 -0.0384 -0.0594 100 ASP d N +37457 C CA . ASP V 90 ? 0.9446 0.7013 0.7788 -0.1379 -0.0382 -0.0590 100 ASP d CA +37458 C C . ASP V 90 ? 0.9778 0.7348 0.8081 -0.1307 -0.0397 -0.0571 100 ASP d C +37459 O O . ASP V 90 ? 1.0421 0.8001 0.8720 -0.1269 -0.0378 -0.0540 100 ASP d O +37460 C CB . ASP V 90 ? 0.9785 0.7256 0.8073 -0.1396 -0.0340 -0.0572 100 ASP d CB +37461 C CG . ASP V 90 ? 1.0068 0.7403 0.8243 -0.1384 -0.0337 -0.0572 100 ASP d CG +37462 O OD1 . ASP V 90 ? 1.0290 0.7598 0.8412 -0.1332 -0.0353 -0.0565 100 ASP d OD1 +37463 O OD2 . ASP V 90 ? 1.3228 1.0479 1.1365 -0.1427 -0.0315 -0.0579 100 ASP d OD2 +37464 N N . PHE V 91 ? 0.9540 0.7100 0.7813 -0.1290 -0.0431 -0.0590 101 PHE d N +37465 C CA . PHE V 91 ? 0.9628 0.7194 0.7865 -0.1224 -0.0446 -0.0574 101 PHE d CA +37466 C C . PHE V 91 ? 0.9735 0.7204 0.7885 -0.1186 -0.0420 -0.0546 101 PHE d C +37467 O O . PHE V 91 ? 0.9583 0.7074 0.7724 -0.1133 -0.0417 -0.0521 101 PHE d O +37468 C CB . PHE V 91 ? 0.9288 0.6844 0.7497 -0.1218 -0.0485 -0.0601 101 PHE d CB +37469 C CG . PHE V 91 ? 1.0043 0.7590 0.8202 -0.1153 -0.0498 -0.0587 101 PHE d CG +37470 C CD1 . PHE V 91 ? 0.9023 0.6669 0.7235 -0.1119 -0.0517 -0.0579 101 PHE d CD1 +37471 C CD2 . PHE V 91 ? 0.9115 0.6553 0.7174 -0.1125 -0.0492 -0.0581 101 PHE d CD2 +37472 C CE1 . PHE V 91 ? 0.9072 0.6709 0.7239 -0.1060 -0.0528 -0.0566 101 PHE d CE1 +37473 C CE2 . PHE V 91 ? 0.9146 0.6578 0.7161 -0.1065 -0.0502 -0.0568 101 PHE d CE2 +37474 C CZ . PHE V 91 ? 1.0097 0.7630 0.8168 -0.1034 -0.0520 -0.0560 101 PHE d CZ +37475 N N . THR V 92 ? 0.9682 0.7042 0.7766 -0.1212 -0.0401 -0.0550 102 THR d N +37476 C CA . THR V 92 ? 1.0590 0.7852 0.8585 -0.1173 -0.0379 -0.0526 102 THR d CA +37477 C C . THR V 92 ? 0.9997 0.7280 0.8015 -0.1159 -0.0347 -0.0494 102 THR d C +37478 O O . THR V 92 ? 0.9263 0.6534 0.7248 -0.1106 -0.0338 -0.0468 102 THR d O +37479 C CB . THR V 92 ? 1.0054 0.7191 0.7970 -0.1204 -0.0369 -0.0540 102 THR d CB +37480 O OG1 . THR V 92 ? 0.9896 0.7013 0.7785 -0.1210 -0.0401 -0.0570 102 THR d OG1 +37481 C CG2 . THR V 92 ? 0.8211 0.5244 0.6034 -0.1163 -0.0347 -0.0516 102 THR d CG2 +37482 N N . ARG V 93 ? 0.9614 0.6931 0.7690 -0.1206 -0.0329 -0.0495 103 ARG d N +37483 C CA . ARG V 93 ? 1.0024 0.7366 0.8125 -0.1195 -0.0299 -0.0466 103 ARG d CA +37484 C C . ARG V 93 ? 0.9808 0.7257 0.7968 -0.1151 -0.0310 -0.0449 103 ARG d C +37485 O O . ARG V 93 ? 0.9333 0.6781 0.7480 -0.1112 -0.0293 -0.0421 103 ARG d O +37486 C CB . ARG V 93 ? 1.0317 0.7682 0.8474 -0.1257 -0.0279 -0.0474 103 ARG d CB +37487 C CG . ARG V 93 ? 1.1363 0.8619 0.9461 -0.1303 -0.0263 -0.0487 103 ARG d CG +37488 C CD . ARG V 93 ? 1.1706 0.8854 0.9716 -0.1278 -0.0234 -0.0461 103 ARG d CD +37489 N NE . ARG V 93 ? 1.1910 0.8941 0.9851 -0.1317 -0.0221 -0.0474 103 ARG d NE +37490 C CZ . ARG V 93 ? 1.2733 0.9666 1.0587 -0.1299 -0.0231 -0.0481 103 ARG d CZ +37491 N NH1 . ARG V 93 ? 1.2768 0.9704 1.0590 -0.1242 -0.0252 -0.0476 103 ARG d NH1 +37492 N NH2 . ARG V 93 ? 1.6147 1.2973 1.3941 -0.1340 -0.0218 -0.0494 103 ARG d NH2 +37493 N N . TRP V 94 ? 0.9347 0.6887 0.7572 -0.1158 -0.0339 -0.0468 104 TRP d N +37494 C CA . TRP V 94 ? 0.8855 0.6496 0.7135 -0.1119 -0.0354 -0.0457 104 TRP d CA +37495 C C . TRP V 94 ? 0.9670 0.7279 0.7891 -0.1054 -0.0357 -0.0436 104 TRP d C +37496 O O . TRP V 94 ? 0.9738 0.7393 0.7980 -0.1017 -0.0349 -0.0411 104 TRP d O +37497 C CB . TRP V 94 ? 0.8527 0.6244 0.6864 -0.1137 -0.0390 -0.0485 104 TRP d CB +37498 C CG . TRP V 94 ? 0.9553 0.7384 0.7960 -0.1108 -0.0408 -0.0479 104 TRP d CG +37499 C CD1 . TRP V 94 ? 0.8863 0.6783 0.7349 -0.1113 -0.0397 -0.0467 104 TRP d CD1 +37500 C CD2 . TRP V 94 ? 0.8871 0.6737 0.7274 -0.1072 -0.0440 -0.0486 104 TRP d CD2 +37501 N NE1 . TRP V 94 ? 0.8417 0.6422 0.6947 -0.1081 -0.0421 -0.0466 104 TRP d NE1 +37502 C CE2 . TRP V 94 ? 0.9104 0.7079 0.7584 -0.1056 -0.0448 -0.0477 104 TRP d CE2 +37503 C CE3 . TRP V 94 ? 0.8893 0.6708 0.7233 -0.1052 -0.0463 -0.0499 104 TRP d CE3 +37504 C CZ2 . TRP V 94 ? 0.8413 0.6444 0.6906 -0.1020 -0.0478 -0.0480 104 TRP d CZ2 +37505 C CZ3 . TRP V 94 ? 0.8969 0.6841 0.7322 -0.1016 -0.0493 -0.0502 104 TRP d CZ3 +37506 C CH2 . TRP V 94 ? 0.8641 0.6619 0.7069 -0.1001 -0.0499 -0.0492 104 TRP d CH2 +37507 N N . CYS V 95 ? 0.9511 0.7042 0.7656 -0.1040 -0.0370 -0.0447 105 CYS d N +37508 C CA . CYS V 95 ? 0.8349 0.5844 0.6433 -0.0980 -0.0371 -0.0428 105 CYS d CA +37509 C C . CYS V 95 ? 0.9180 0.6618 0.7223 -0.0959 -0.0338 -0.0400 105 CYS d C +37510 O O . CYS V 95 ? 0.9698 0.7161 0.7739 -0.0911 -0.0332 -0.0376 105 CYS d O +37511 C CB . CYS V 95 ? 0.8873 0.6288 0.6881 -0.0973 -0.0388 -0.0447 105 CYS d CB +37512 S SG . CYS V 95 ? 0.9246 0.6722 0.7288 -0.0983 -0.0431 -0.0479 105 CYS d SG +37513 N N . GLN V 96 ? 0.9371 0.6733 0.7382 -0.0994 -0.0316 -0.0402 106 GLN d N +37514 C CA . GLN V 96 ? 1.0000 0.7299 0.7964 -0.0975 -0.0286 -0.0375 106 GLN d CA +37515 C C . GLN V 96 ? 1.0008 0.7381 0.8036 -0.0971 -0.0268 -0.0353 106 GLN d C +37516 O O . GLN V 96 ? 0.8348 0.5693 0.6346 -0.0939 -0.0249 -0.0328 106 GLN d O +37517 C CB . GLN V 96 ? 0.9256 0.6449 0.7165 -0.1016 -0.0267 -0.0384 106 GLN d CB +37518 C CG . GLN V 96 ? 0.9966 0.7066 0.7797 -0.1017 -0.0281 -0.0404 106 GLN d CG +37519 C CD . GLN V 96 ? 1.1908 0.8914 0.9698 -0.1069 -0.0265 -0.0417 106 GLN d CD +37520 O OE1 . GLN V 96 ? 0.9684 0.6723 0.7527 -0.1122 -0.0259 -0.0429 106 GLN d OE1 +37521 N NE2 . GLN V 96 ? 0.9494 0.6382 0.7186 -0.1053 -0.0258 -0.0416 106 GLN d NE2 +37522 N N . LEU V 97 ? 0.8704 0.6171 0.6819 -0.1003 -0.0276 -0.0363 107 LEU d N +37523 C CA . LEU V 97 ? 0.9689 0.7231 0.7868 -0.1002 -0.0260 -0.0344 107 LEU d CA +37524 C C . LEU V 97 ? 0.9965 0.7597 0.8188 -0.0956 -0.0276 -0.0332 107 LEU d C +37525 O O . LEU V 97 ? 0.9331 0.7026 0.7605 -0.0948 -0.0264 -0.0315 107 LEU d O +37526 C CB . LEU V 97 ? 0.8975 0.6572 0.7228 -0.1061 -0.0257 -0.0361 107 LEU d CB +37527 C CG . LEU V 97 ? 1.0011 0.7522 0.8227 -0.1109 -0.0233 -0.0368 107 LEU d CG +37528 C CD1 . LEU V 97 ? 0.9721 0.7294 0.8015 -0.1166 -0.0225 -0.0381 107 LEU d CD1 +37529 C CD2 . LEU V 97 ? 0.9492 0.6924 0.7644 -0.1086 -0.0204 -0.0341 107 LEU d CD2 +37530 N N . GLY V 98 ? 0.9002 0.6636 0.7201 -0.0926 -0.0300 -0.0340 108 GLY d N +37531 C CA . GLY V 98 ? 0.9198 0.6907 0.7429 -0.0882 -0.0314 -0.0329 108 GLY d CA +37532 C C . GLY V 98 ? 0.9002 0.6809 0.7307 -0.0895 -0.0340 -0.0345 108 GLY d C +37533 O O . GLY V 98 ? 0.9043 0.6920 0.7382 -0.0862 -0.0350 -0.0334 108 GLY d O +37534 N N . GLY V 99 ? 0.8705 0.6519 0.7035 -0.0943 -0.0352 -0.0372 109 GLY d N +37535 C CA . GLY V 99 ? 0.7105 0.5014 0.5508 -0.0957 -0.0378 -0.0390 109 GLY d CA +37536 C C . GLY V 99 ? 0.8218 0.6154 0.6609 -0.0918 -0.0407 -0.0394 109 GLY d C +37537 O O . GLY V 99 ? 0.8708 0.6733 0.7161 -0.0915 -0.0427 -0.0401 109 GLY d O +37538 N N . LEU V 100 ? 0.7749 0.5611 0.6061 -0.0886 -0.0410 -0.0391 110 LEU d N +37539 C CA . LEU V 100 ? 0.7787 0.5676 0.6085 -0.0846 -0.0435 -0.0393 110 LEU d CA +37540 C C . LEU V 100 ? 0.8906 0.6864 0.7241 -0.0806 -0.0430 -0.0368 110 LEU d C +37541 O O . LEU V 100 ? 0.8839 0.6854 0.7195 -0.0783 -0.0452 -0.0371 110 LEU d O +37542 C CB . LEU V 100 ? 0.8493 0.6286 0.6697 -0.0820 -0.0436 -0.0394 110 LEU d CB +37543 C CG . LEU V 100 ? 0.9809 0.7545 0.7973 -0.0850 -0.0455 -0.0425 110 LEU d CG +37544 C CD1 . LEU V 100 ? 0.9480 0.7124 0.7549 -0.0816 -0.0455 -0.0424 110 LEU d CD1 +37545 C CD2 . LEU V 100 ? 0.8604 0.6411 0.6817 -0.0864 -0.0489 -0.0449 110 LEU d CD2 +37546 N N . TRP V 101 ? 0.8594 0.6549 0.6936 -0.0797 -0.0402 -0.0343 111 TRP d N +37547 C CA . TRP V 101 ? 0.7642 0.5661 0.6017 -0.0759 -0.0397 -0.0319 111 TRP d CA +37548 C C . TRP V 101 ? 0.7465 0.5586 0.5926 -0.0774 -0.0412 -0.0326 111 TRP d C +37549 O O . TRP V 101 ? 0.8214 0.6390 0.6695 -0.0744 -0.0428 -0.0321 111 TRP d O +37550 C CB . TRP V 101 ? 0.7297 0.5290 0.5662 -0.0748 -0.0365 -0.0294 111 TRP d CB +37551 C CG . TRP V 101 ? 0.9551 0.7599 0.7938 -0.0704 -0.0362 -0.0270 111 TRP d CG +37552 C CD1 . TRP V 101 ? 0.7619 0.5641 0.5959 -0.0658 -0.0359 -0.0255 111 TRP d CD1 +37553 C CD2 . TRP V 101 ? 0.7419 0.5559 0.5881 -0.0704 -0.0362 -0.0260 111 TRP d CD2 +37554 N NE1 . TRP V 101 ? 0.8124 0.6215 0.6506 -0.0631 -0.0357 -0.0236 111 TRP d NE1 +37555 C CE2 . TRP V 101 ? 0.7686 0.5847 0.6141 -0.0657 -0.0359 -0.0239 111 TRP d CE2 +37556 C CE3 . TRP V 101 ? 0.8304 0.6509 0.6838 -0.0738 -0.0363 -0.0268 111 TRP d CE3 +37557 C CZ2 . TRP V 101 ? 0.6746 0.4988 0.5261 -0.0645 -0.0358 -0.0226 111 TRP d CZ2 +37558 C CZ3 . TRP V 101 ? 0.7471 0.5756 0.6064 -0.0723 -0.0362 -0.0254 111 TRP d CZ3 +37559 C CH2 . TRP V 101 ? 0.6723 0.5024 0.5305 -0.0678 -0.0360 -0.0233 111 TRP d CH2 +37560 N N . THR V 102 ? 0.7419 0.5568 0.5932 -0.0818 -0.0405 -0.0336 112 THR d N +37561 C CA . THR V 102 ? 0.7869 0.6119 0.6465 -0.0830 -0.0420 -0.0343 112 THR d CA +37562 C C . THR V 102 ? 0.8815 0.7092 0.7420 -0.0834 -0.0455 -0.0368 112 THR d C +37563 O O . THR V 102 ? 0.9006 0.7362 0.7661 -0.0821 -0.0474 -0.0370 112 THR d O +37564 C CB . THR V 102 ? 0.9408 0.7684 0.8059 -0.0878 -0.0404 -0.0349 112 THR d CB +37565 O OG1 . THR V 102 ? 0.8649 0.6865 0.7273 -0.0918 -0.0404 -0.0370 112 THR d OG1 +37566 C CG2 . THR V 102 ? 0.8250 0.6513 0.6901 -0.0870 -0.0370 -0.0322 112 THR d CG2 +37567 N N . PHE V 103 ? 0.8081 0.6291 0.6632 -0.0848 -0.0465 -0.0387 113 PHE d N +37568 C CA . PHE V 103 ? 0.8098 0.6323 0.6645 -0.0849 -0.0500 -0.0411 113 PHE d CA +37569 C C . PHE V 103 ? 0.7330 0.5576 0.5856 -0.0798 -0.0516 -0.0400 113 PHE d C +37570 O O . PHE V 103 ? 0.7853 0.6163 0.6415 -0.0790 -0.0542 -0.0409 113 PHE d O +37571 C CB . PHE V 103 ? 0.8060 0.6194 0.6541 -0.0870 -0.0504 -0.0431 113 PHE d CB +37572 C CG . PHE V 103 ? 0.7704 0.5845 0.6174 -0.0875 -0.0541 -0.0458 113 PHE d CG +37573 C CD1 . PHE V 103 ? 0.8950 0.7134 0.7473 -0.0918 -0.0560 -0.0486 113 PHE d CD1 +37574 C CD2 . PHE V 103 ? 0.7955 0.6057 0.6361 -0.0836 -0.0555 -0.0458 113 PHE d CD2 +37575 C CE1 . PHE V 103 ? 0.8693 0.6883 0.7206 -0.0923 -0.0596 -0.0513 113 PHE d CE1 +37576 C CE2 . PHE V 103 ? 0.9084 0.7188 0.7475 -0.0840 -0.0589 -0.0483 113 PHE d CE2 +37577 C CZ . PHE V 103 ? 0.8359 0.6508 0.6804 -0.0883 -0.0611 -0.0511 113 PHE d CZ +37578 N N . ILE V 104 ? 0.7755 0.5944 0.6218 -0.0762 -0.0500 -0.0380 114 ILE d N +37579 C CA . ILE V 104 ? 0.7475 0.5678 0.5913 -0.0713 -0.0510 -0.0368 114 ILE d CA +37580 C C . ILE V 104 ? 0.9239 0.7526 0.7739 -0.0694 -0.0506 -0.0348 114 ILE d C +37581 O O . ILE V 104 ? 0.8203 0.6539 0.6719 -0.0671 -0.0526 -0.0349 114 ILE d O +37582 C CB . ILE V 104 ? 0.8310 0.6431 0.6670 -0.0681 -0.0491 -0.0352 114 ILE d CB +37583 C CG1 . ILE V 104 ? 0.8178 0.6214 0.6470 -0.0695 -0.0500 -0.0373 114 ILE d CG1 +37584 C CG2 . ILE V 104 ? 0.8554 0.6698 0.6898 -0.0631 -0.0494 -0.0334 114 ILE d CG2 +37585 C CD1 . ILE V 104 ? 0.7839 0.5787 0.6059 -0.0677 -0.0475 -0.0360 114 ILE d CD1 +37586 N N . ALA V 105 ? 0.7899 0.6201 0.6433 -0.0703 -0.0480 -0.0332 115 ALA d N +37587 C CA . ALA V 105 ? 0.7474 0.5852 0.6065 -0.0685 -0.0474 -0.0313 115 ALA d CA +37588 C C . ALA V 105 ? 0.7543 0.6004 0.6204 -0.0702 -0.0498 -0.0329 115 ALA d C +37589 O O . ALA V 105 ? 0.7732 0.6249 0.6418 -0.0676 -0.0510 -0.0321 115 ALA d O +37590 C CB . ALA V 105 ? 0.7049 0.5421 0.5659 -0.0697 -0.0443 -0.0295 115 ALA d CB +37591 N N . LEU V 106 ? 0.7734 0.6205 0.6427 -0.0747 -0.0505 -0.0351 116 LEU d N +37592 C CA . LEU V 106 ? 0.7641 0.6198 0.6408 -0.0763 -0.0526 -0.0366 116 LEU d CA +37593 C C . LEU V 106 ? 0.7565 0.6135 0.6318 -0.0751 -0.0563 -0.0385 116 LEU d C +37594 O O . LEU V 106 ? 0.8531 0.7169 0.7324 -0.0734 -0.0582 -0.0385 116 LEU d O +37595 C CB . LEU V 106 ? 0.7331 0.5901 0.6145 -0.0816 -0.0520 -0.0384 116 LEU d CB +37596 C CG . LEU V 106 ? 0.8474 0.7051 0.7317 -0.0829 -0.0485 -0.0365 116 LEU d CG +37597 C CD1 . LEU V 106 ? 0.8016 0.6584 0.6887 -0.0883 -0.0475 -0.0383 116 LEU d CD1 +37598 C CD2 . LEU V 106 ? 0.7844 0.6508 0.6753 -0.0812 -0.0485 -0.0352 116 LEU d CD2 +37599 N N . HIS V 107 ? 0.7564 0.6069 0.6257 -0.0756 -0.0574 -0.0401 117 HIS d N +37600 C CA . HIS V 107 ? 0.8609 0.7122 0.7281 -0.0741 -0.0609 -0.0418 117 HIS d CA +37601 C C . HIS V 107 ? 0.7755 0.6270 0.6393 -0.0689 -0.0611 -0.0397 117 HIS d C +37602 O O . HIS V 107 ? 0.8027 0.6584 0.6675 -0.0670 -0.0638 -0.0403 117 HIS d O +37603 C CB . HIS V 107 ? 0.7429 0.5864 0.6038 -0.0758 -0.0620 -0.0440 117 HIS d CB +37604 C CG . HIS V 107 ? 0.8760 0.7204 0.7405 -0.0811 -0.0630 -0.0468 117 HIS d CG +37605 N ND1 . HIS V 107 ? 0.7820 0.6224 0.6466 -0.0847 -0.0604 -0.0469 117 HIS d ND1 +37606 C CD2 . HIS V 107 ? 0.7873 0.6361 0.6556 -0.0834 -0.0662 -0.0497 117 HIS d CD2 +37607 C CE1 . HIS V 107 ? 0.8184 0.6608 0.6868 -0.0892 -0.0619 -0.0497 117 HIS d CE1 +37608 N NE2 . HIS V 107 ? 0.8835 0.7312 0.7544 -0.0885 -0.0654 -0.0515 117 HIS d NE2 +37609 N N . GLY V 108 ? 0.7839 0.6308 0.6435 -0.0665 -0.0583 -0.0372 118 GLY d N +37610 C CA . GLY V 108 ? 0.7574 0.6050 0.6145 -0.0617 -0.0581 -0.0351 118 GLY d CA +37611 C C . GLY V 108 ? 0.7771 0.6332 0.6407 -0.0605 -0.0584 -0.0338 118 GLY d C +37612 O O . GLY V 108 ? 0.7507 0.6094 0.6136 -0.0574 -0.0600 -0.0333 118 GLY d O +37613 N N . ALA V 109 ? 0.6901 0.5502 0.5598 -0.0628 -0.0569 -0.0334 119 ALA d N +37614 C CA . ALA V 109 ? 0.6736 0.5418 0.5498 -0.0618 -0.0572 -0.0323 119 ALA d CA +37615 C C . ALA V 109 ? 0.7980 0.6716 0.6774 -0.0620 -0.0608 -0.0344 119 ALA d C +37616 O O . ALA V 109 ? 0.7922 0.6700 0.6728 -0.0592 -0.0620 -0.0335 119 ALA d O +37617 C CB . ALA V 109 ? 0.6617 0.5330 0.5437 -0.0646 -0.0550 -0.0318 119 ALA d CB +37618 N N . PHE V 110 ? 0.7650 0.6387 0.6458 -0.0655 -0.0626 -0.0372 120 PHE d N +37619 C CA . PHE V 110 ? 0.8084 0.6877 0.6925 -0.0657 -0.0662 -0.0393 120 PHE d CA +37620 C C . PHE V 110 ? 0.8113 0.6874 0.6892 -0.0625 -0.0686 -0.0397 120 PHE d C +37621 O O . PHE V 110 ? 0.8601 0.7408 0.7396 -0.0607 -0.0713 -0.0402 120 PHE d O +37622 C CB . PHE V 110 ? 0.7939 0.6746 0.6818 -0.0704 -0.0676 -0.0423 120 PHE d CB +37623 C CG . PHE V 110 ? 0.7786 0.6649 0.6743 -0.0733 -0.0659 -0.0422 120 PHE d CG +37624 C CD1 . PHE V 110 ? 0.9041 0.7992 0.8070 -0.0730 -0.0674 -0.0426 120 PHE d CD1 +37625 C CD2 . PHE V 110 ? 0.8708 0.7534 0.7664 -0.0761 -0.0627 -0.0416 120 PHE d CD2 +37626 C CE1 . PHE V 110 ? 0.8519 0.7521 0.7619 -0.0756 -0.0657 -0.0425 120 PHE d CE1 +37627 C CE2 . PHE V 110 ? 0.8598 0.7473 0.7623 -0.0788 -0.0610 -0.0415 120 PHE d CE2 +37628 C CZ . PHE V 110 ? 0.9100 0.8065 0.8199 -0.0785 -0.0624 -0.0420 120 PHE d CZ +37629 N N . GLY V 111 ? 0.8252 0.6934 0.6956 -0.0617 -0.0676 -0.0394 121 GLY d N +37630 C CA . GLY V 111 ? 0.7939 0.6586 0.6577 -0.0582 -0.0693 -0.0393 121 GLY d CA +37631 C C . GLY V 111 ? 0.8313 0.6987 0.6948 -0.0540 -0.0687 -0.0368 121 GLY d C +37632 O O . GLY V 111 ? 0.8446 0.7133 0.7060 -0.0515 -0.0711 -0.0371 121 GLY d O +37633 N N . LEU V 112 ? 0.9664 0.8344 0.8316 -0.0532 -0.0655 -0.0342 122 LEU d N +37634 C CA . LEU V 112 ? 0.8267 0.6976 0.6922 -0.0495 -0.0647 -0.0317 122 LEU d CA +37635 C C . LEU V 112 ? 0.7002 0.5788 0.5717 -0.0493 -0.0669 -0.0322 122 LEU d C +37636 O O . LEU V 112 ? 0.7211 0.6015 0.5913 -0.0462 -0.0681 -0.0313 122 LEU d O +37637 C CB . LEU V 112 ? 0.7912 0.6615 0.6580 -0.0491 -0.0610 -0.0292 122 LEU d CB +37638 C CG . LEU V 112 ? 0.8373 0.7002 0.6976 -0.0479 -0.0586 -0.0280 122 LEU d CG +37639 C CD1 . LEU V 112 ? 0.7341 0.5971 0.5965 -0.0480 -0.0553 -0.0258 122 LEU d CD1 +37640 C CD2 . LEU V 112 ? 0.7524 0.6126 0.6068 -0.0439 -0.0590 -0.0271 122 LEU d CD2 +37641 N N . ILE V 113 ? 0.7785 0.6619 0.6567 -0.0526 -0.0674 -0.0336 123 ILE d N +37642 C CA . ILE V 113 ? 0.7054 0.5963 0.5895 -0.0524 -0.0698 -0.0344 123 ILE d CA +37643 C C . ILE V 113 ? 0.7659 0.6566 0.6469 -0.0511 -0.0736 -0.0363 123 ILE d C +37644 O O . ILE V 113 ? 0.8079 0.7018 0.6891 -0.0483 -0.0754 -0.0358 123 ILE d O +37645 C CB . ILE V 113 ? 0.7651 0.6610 0.6568 -0.0565 -0.0698 -0.0359 123 ILE d CB +37646 C CG1 . ILE V 113 ? 0.7546 0.6512 0.6495 -0.0573 -0.0661 -0.0338 123 ILE d CG1 +37647 C CG2 . ILE V 113 ? 0.8038 0.7074 0.7014 -0.0563 -0.0728 -0.0373 123 ILE d CG2 +37648 C CD1 . ILE V 113 ? 0.8020 0.7025 0.7037 -0.0616 -0.0654 -0.0352 123 ILE d CD1 +37649 N N . GLY V 114 ? 0.7527 0.6390 0.6302 -0.0531 -0.0749 -0.0385 124 GLY d N +37650 C CA . GLY V 114 ? 0.7274 0.6130 0.6014 -0.0520 -0.0786 -0.0405 124 GLY d CA +37651 C C . GLY V 114 ? 0.7471 0.6292 0.6142 -0.0476 -0.0788 -0.0388 124 GLY d C +37652 O O . GLY V 114 ? 0.7900 0.6742 0.6560 -0.0455 -0.0818 -0.0396 124 GLY d O +37653 N N A PHE V 115 ? 0.7308 0.6075 0.5931 -0.0460 -0.0757 -0.0367 125 PHE d N +37654 N N B PHE V 115 ? 0.7309 0.6077 0.5932 -0.0460 -0.0758 -0.0367 125 PHE d N +37655 C CA A PHE V 115 ? 0.7009 0.5743 0.5567 -0.0419 -0.0756 -0.0351 125 PHE d CA +37656 C CA B PHE V 115 ? 0.6992 0.5728 0.5551 -0.0419 -0.0757 -0.0351 125 PHE d CA +37657 C C A PHE V 115 ? 0.7529 0.6317 0.6118 -0.0392 -0.0757 -0.0332 125 PHE d C +37658 C C B PHE V 115 ? 0.7531 0.6321 0.6122 -0.0393 -0.0758 -0.0333 125 PHE d C +37659 O O A PHE V 115 ? 0.7577 0.6363 0.6130 -0.0363 -0.0775 -0.0330 125 PHE d O +37660 O O B PHE V 115 ? 0.7575 0.6363 0.6130 -0.0364 -0.0777 -0.0331 125 PHE d O +37661 C CB A PHE V 115 ? 0.7099 0.5771 0.5607 -0.0408 -0.0720 -0.0331 125 PHE d CB +37662 C CB B PHE V 115 ? 0.7089 0.5762 0.5597 -0.0408 -0.0722 -0.0332 125 PHE d CB +37663 C CG A PHE V 115 ? 0.7558 0.6189 0.5992 -0.0369 -0.0719 -0.0319 125 PHE d CG +37664 C CG B PHE V 115 ? 0.7551 0.6185 0.5987 -0.0369 -0.0720 -0.0320 125 PHE d CG +37665 C CD1 A PHE V 115 ? 0.8493 0.7068 0.6859 -0.0364 -0.0735 -0.0336 125 PHE d CD1 +37666 C CD1 B PHE V 115 ? 0.8517 0.7096 0.6884 -0.0362 -0.0736 -0.0335 125 PHE d CD1 +37667 C CD2 A PHE V 115 ? 0.7735 0.6382 0.6168 -0.0339 -0.0702 -0.0293 125 PHE d CD2 +37668 C CD2 B PHE V 115 ? 0.7730 0.6380 0.6167 -0.0340 -0.0701 -0.0292 125 PHE d CD2 +37669 C CE1 A PHE V 115 ? 0.8580 0.7117 0.6876 -0.0328 -0.0732 -0.0325 125 PHE d CE1 +37670 C CE1 B PHE V 115 ? 0.8585 0.7127 0.6884 -0.0326 -0.0732 -0.0324 125 PHE d CE1 +37671 C CE2 A PHE V 115 ? 0.7971 0.6580 0.6336 -0.0305 -0.0698 -0.0282 125 PHE d CE2 +37672 C CE2 B PHE V 115 ? 0.7989 0.6603 0.6361 -0.0305 -0.0697 -0.0281 125 PHE d CE2 +37673 C CZ A PHE V 115 ? 0.7906 0.6461 0.6203 -0.0299 -0.0713 -0.0298 125 PHE d CZ +37674 C CZ B PHE V 115 ? 0.7858 0.6419 0.6161 -0.0298 -0.0712 -0.0296 125 PHE d CZ +37675 N N . MET V 116 ? 0.7672 0.6507 0.6326 -0.0402 -0.0739 -0.0319 126 MET d N +37676 C CA . MET V 116 ? 0.8455 0.7339 0.7139 -0.0378 -0.0740 -0.0302 126 MET d CA +37677 C C . MET V 116 ? 0.7218 0.6153 0.5934 -0.0378 -0.0779 -0.0322 126 MET d C +37678 O O . MET V 116 ? 0.7749 0.6701 0.6453 -0.0349 -0.0793 -0.0313 126 MET d O +37679 C CB . MET V 116 ? 0.6994 0.5913 0.5738 -0.0390 -0.0712 -0.0285 126 MET d CB +37680 C CG . MET V 116 ? 0.8066 0.7021 0.6828 -0.0361 -0.0705 -0.0262 126 MET d CG +37681 S SD . MET V 116 ? 0.8311 0.7290 0.7126 -0.0372 -0.0667 -0.0240 126 MET d SD +37682 C CE . MET V 116 ? 0.7544 0.6573 0.6386 -0.0343 -0.0671 -0.0222 126 MET d CE +37683 N N . LEU V 117 ? 0.7442 0.6403 0.6199 -0.0411 -0.0798 -0.0348 127 LEU d N +37684 C CA . LEU V 117 ? 0.8020 0.7030 0.6807 -0.0410 -0.0838 -0.0369 127 LEU d CA +37685 C C . LEU V 117 ? 0.8096 0.7067 0.6811 -0.0386 -0.0866 -0.0379 127 LEU d C +37686 O O . LEU V 117 ? 0.7803 0.6805 0.6520 -0.0365 -0.0895 -0.0384 127 LEU d O +37687 C CB . LEU V 117 ? 0.7778 0.6823 0.6625 -0.0452 -0.0851 -0.0396 127 LEU d CB +37688 C CG . LEU V 117 ? 0.7570 0.6675 0.6502 -0.0474 -0.0833 -0.0392 127 LEU d CG +37689 C CD1 . LEU V 117 ? 0.7445 0.6567 0.6423 -0.0520 -0.0838 -0.0419 127 LEU d CD1 +37690 C CD2 . LEU V 117 ? 0.7259 0.6435 0.6242 -0.0455 -0.0851 -0.0389 127 LEU d CD2 +37691 N N . ARG V 118 ? 0.7709 0.6609 0.6356 -0.0387 -0.0857 -0.0380 128 ARG d N +37692 C CA . ARG V 118 ? 0.7507 0.6362 0.6076 -0.0362 -0.0879 -0.0387 128 ARG d CA +37693 C C . ARG V 118 ? 0.8584 0.7433 0.7117 -0.0320 -0.0871 -0.0361 128 ARG d C +37694 O O . ARG V 118 ? 0.7767 0.6615 0.6265 -0.0295 -0.0898 -0.0365 128 ARG d O +37695 C CB . ARG V 118 ? 0.7361 0.6141 0.5866 -0.0371 -0.0866 -0.0392 128 ARG d CB +37696 C CG . ARG V 118 ? 0.8129 0.6852 0.6545 -0.0343 -0.0881 -0.0396 128 ARG d CG +37697 C CD . ARG V 118 ? 0.8310 0.6958 0.6666 -0.0351 -0.0861 -0.0398 128 ARG d CD +37698 N NE . ARG V 118 ? 0.9036 0.7626 0.7305 -0.0328 -0.0876 -0.0405 128 ARG d NE +37699 C CZ . ARG V 118 ? 0.9897 0.8469 0.8139 -0.0339 -0.0910 -0.0434 128 ARG d CZ +37700 N NH1 . ARG V 118 ? 0.8176 0.6788 0.6475 -0.0373 -0.0934 -0.0459 128 ARG d NH1 +37701 N NH2 . ARG V 118 ? 0.8355 0.6869 0.6512 -0.0316 -0.0919 -0.0439 128 ARG d NH2 +37702 N N A GLN V 119 ? 0.7665 0.6507 0.6203 -0.0311 -0.0833 -0.0333 129 GLN d N +37703 N N B GLN V 119 ? 0.7671 0.6514 0.6209 -0.0311 -0.0833 -0.0333 129 GLN d N +37704 C CA A GLN V 119 ? 0.7680 0.6518 0.6188 -0.0274 -0.0823 -0.0307 129 GLN d CA +37705 C CA B GLN V 119 ? 0.7677 0.6516 0.6185 -0.0274 -0.0823 -0.0307 129 GLN d CA +37706 C C A GLN V 119 ? 0.7429 0.6327 0.5979 -0.0262 -0.0847 -0.0308 129 GLN d C +37707 C C B GLN V 119 ? 0.7417 0.6317 0.5969 -0.0261 -0.0847 -0.0308 129 GLN d C +37708 O O A GLN V 119 ? 0.7910 0.6800 0.6419 -0.0231 -0.0862 -0.0302 129 GLN d O +37709 O O B GLN V 119 ? 0.7922 0.6812 0.6432 -0.0230 -0.0860 -0.0300 129 GLN d O +37710 C CB A GLN V 119 ? 0.7697 0.6527 0.6215 -0.0271 -0.0779 -0.0280 129 GLN d CB +37711 C CB B GLN V 119 ? 0.7700 0.6529 0.6218 -0.0271 -0.0779 -0.0280 129 GLN d CB +37712 C CG A GLN V 119 ? 0.7474 0.6237 0.5935 -0.0271 -0.0753 -0.0274 129 GLN d CG +37713 C CG B GLN V 119 ? 0.7460 0.6223 0.5920 -0.0270 -0.0754 -0.0273 129 GLN d CG +37714 C CD A GLN V 119 ? 0.7892 0.6657 0.6380 -0.0275 -0.0713 -0.0251 129 GLN d CD +37715 C CD B GLN V 119 ? 0.7916 0.6680 0.6402 -0.0274 -0.0714 -0.0250 129 GLN d CD +37716 O OE1 A GLN V 119 ? 0.7684 0.6490 0.6237 -0.0296 -0.0706 -0.0249 129 GLN d OE1 +37717 O OE1 B GLN V 119 ? 0.7689 0.6496 0.6242 -0.0295 -0.0706 -0.0249 129 GLN d OE1 +37718 N NE2 A GLN V 119 ? 0.7676 0.6395 0.6112 -0.0255 -0.0687 -0.0232 129 GLN d NE2 +37719 N NE2 B GLN V 119 ? 0.7685 0.6405 0.6120 -0.0253 -0.0688 -0.0232 129 GLN d NE2 +37720 N N . PHE V 120 ? 0.7374 0.6334 0.6007 -0.0285 -0.0852 -0.0316 130 PHE d N +37721 C CA . PHE V 120 ? 0.7025 0.6045 0.5702 -0.0273 -0.0877 -0.0319 130 PHE d CA +37722 C C . PHE V 120 ? 0.8364 0.7389 0.7019 -0.0266 -0.0923 -0.0345 130 PHE d C +37723 O O . PHE V 120 ? 0.7920 0.6962 0.6562 -0.0238 -0.0945 -0.0342 130 PHE d O +37724 C CB . PHE V 120 ? 0.8007 0.7091 0.6777 -0.0301 -0.0872 -0.0326 130 PHE d CB +37725 C CG . PHE V 120 ? 0.7839 0.6941 0.6643 -0.0298 -0.0836 -0.0299 130 PHE d CG +37726 C CD1 . PHE V 120 ? 0.7922 0.7045 0.6730 -0.0268 -0.0835 -0.0279 130 PHE d CD1 +37727 C CD2 . PHE V 120 ? 0.7059 0.6158 0.5894 -0.0325 -0.0805 -0.0293 130 PHE d CD2 +37728 C CE1 . PHE V 120 ? 0.8690 0.7829 0.7530 -0.0266 -0.0803 -0.0256 130 PHE d CE1 +37729 C CE2 . PHE V 120 ? 0.8066 0.7182 0.6934 -0.0322 -0.0774 -0.0270 130 PHE d CE2 +37730 C CZ . PHE V 120 ? 0.6864 0.6001 0.5735 -0.0293 -0.0773 -0.0252 130 PHE d CZ +37731 N N . GLU V 121 ? 0.7875 0.6884 0.6523 -0.0292 -0.0938 -0.0371 131 GLU d N +37732 C CA . GLU V 121 ? 0.8095 0.7113 0.6730 -0.0290 -0.0984 -0.0399 131 GLU d CA +37733 C C . GLU V 121 ? 0.8013 0.6977 0.6555 -0.0253 -0.0997 -0.0392 131 GLU d C +37734 O O . GLU V 121 ? 0.7947 0.6930 0.6477 -0.0230 -0.1030 -0.0399 131 GLU d O +37735 C CB . GLU V 121 ? 0.8046 0.7055 0.6695 -0.0329 -0.0994 -0.0427 131 GLU d CB +37736 C CG . GLU V 121 ? 0.8192 0.7219 0.6838 -0.0333 -0.1044 -0.0461 131 GLU d CG +37737 C CD . GLU V 121 ? 0.9189 0.8228 0.7876 -0.0379 -0.1053 -0.0491 131 GLU d CD +37738 O OE1 . GLU V 121 ? 0.7972 0.6971 0.6648 -0.0403 -0.1024 -0.0488 131 GLU d OE1 +37739 O OE2 . GLU V 121 ? 0.8672 0.7762 0.7402 -0.0391 -0.1090 -0.0518 131 GLU d OE2 +37740 N N A ILE V 122 ? 0.7979 0.6875 0.6454 -0.0247 -0.0970 -0.0379 132 ILE d N +37741 N N B ILE V 122 ? 0.7981 0.6878 0.6457 -0.0246 -0.0970 -0.0379 132 ILE d N +37742 C CA A ILE V 122 ? 0.8162 0.7002 0.6546 -0.0213 -0.0978 -0.0372 132 ILE d CA +37743 C CA B ILE V 122 ? 0.8151 0.6993 0.6536 -0.0212 -0.0978 -0.0372 132 ILE d CA +37744 C C A ILE V 122 ? 0.8750 0.7604 0.7125 -0.0178 -0.0971 -0.0346 132 ILE d C +37745 C C B ILE V 122 ? 0.8760 0.7615 0.7135 -0.0177 -0.0970 -0.0345 132 ILE d C +37746 O O A ILE V 122 ? 0.9056 0.7900 0.7385 -0.0150 -0.0997 -0.0347 132 ILE d O +37747 O O B ILE V 122 ? 0.9074 0.7915 0.7400 -0.0149 -0.0995 -0.0346 132 ILE d O +37748 C CB A ILE V 122 ? 0.8021 0.6789 0.6341 -0.0214 -0.0948 -0.0364 132 ILE d CB +37749 C CB B ILE V 122 ? 0.8019 0.6787 0.6339 -0.0214 -0.0949 -0.0365 132 ILE d CB +37750 C CG1 A ILE V 122 ? 0.8483 0.7231 0.6800 -0.0246 -0.0962 -0.0393 132 ILE d CG1 +37751 C CG1 B ILE V 122 ? 0.8477 0.7227 0.6797 -0.0247 -0.0963 -0.0394 132 ILE d CG1 +37752 C CG2 A ILE V 122 ? 0.7918 0.6629 0.6144 -0.0177 -0.0948 -0.0352 132 ILE d CG2 +37753 C CG2 B ILE V 122 ? 0.7899 0.6612 0.6126 -0.0178 -0.0950 -0.0354 132 ILE d CG2 +37754 C CD1 A ILE V 122 ? 0.8194 0.6873 0.6457 -0.0251 -0.0931 -0.0387 132 ILE d CD1 +37755 C CD1 B ILE V 122 ? 0.8189 0.6870 0.6455 -0.0253 -0.0934 -0.0389 132 ILE d CD1 +37756 N N A ALA V 123 ? 0.8820 0.7696 0.7237 -0.0179 -0.0937 -0.0322 133 ALA d N +37757 N N B ALA V 123 ? 0.8831 0.7710 0.7250 -0.0179 -0.0937 -0.0322 133 ALA d N +37758 C CA A ALA V 123 ? 0.8651 0.7540 0.7062 -0.0148 -0.0929 -0.0297 133 ALA d CA +37759 C CA B ALA V 123 ? 0.8660 0.7550 0.7072 -0.0148 -0.0929 -0.0297 133 ALA d CA +37760 C C A ALA V 123 ? 0.8581 0.7518 0.7019 -0.0135 -0.0970 -0.0309 133 ALA d C +37761 C C B ALA V 123 ? 0.8585 0.7523 0.7024 -0.0135 -0.0970 -0.0309 133 ALA d C +37762 O O A ALA V 123 ? 0.8228 0.7150 0.6619 -0.0103 -0.0982 -0.0299 133 ALA d O +37763 O O B ALA V 123 ? 0.8207 0.7132 0.6602 -0.0103 -0.0982 -0.0298 133 ALA d O +37764 C CB A ALA V 123 ? 0.7890 0.6805 0.6355 -0.0156 -0.0891 -0.0274 133 ALA d CB +37765 C CB B ALA V 123 ? 0.7886 0.6801 0.6351 -0.0156 -0.0891 -0.0273 133 ALA d CB +37766 N N . ARG V 124 ? 0.8655 0.7650 0.7168 -0.0160 -0.0991 -0.0331 134 ARG d N +37767 C CA . ARG V 124 ? 0.8227 0.7275 0.6775 -0.0148 -0.1029 -0.0344 134 ARG d CA +37768 C C . ARG V 124 ? 0.9523 0.8547 0.8010 -0.0130 -0.1072 -0.0364 134 ARG d C +37769 O O . ARG V 124 ? 0.8957 0.7997 0.7433 -0.0102 -0.1099 -0.0363 134 ARG d O +37770 C CB . ARG V 124 ? 0.8725 0.7842 0.7370 -0.0182 -0.1039 -0.0365 134 ARG d CB +37771 C CG . ARG V 124 ? 0.8263 0.7447 0.6959 -0.0172 -0.1079 -0.0381 134 ARG d CG +37772 C CD . ARG V 124 ? 0.7993 0.7205 0.6710 -0.0146 -0.1070 -0.0358 134 ARG d CD +37773 N NE . ARG V 124 ? 0.7546 0.6710 0.6181 -0.0106 -0.1077 -0.0341 134 ARG d NE +37774 C CZ . ARG V 124 ? 0.9339 0.8513 0.7970 -0.0076 -0.1076 -0.0322 134 ARG d CZ +37775 N NH1 . ARG V 124 ? 0.8735 0.7962 0.7438 -0.0080 -0.1065 -0.0314 134 ARG d NH1 +37776 N NH2 . ARG V 124 ? 0.9283 0.8409 0.7833 -0.0041 -0.1086 -0.0310 134 ARG d NH2 +37777 N N . LEU V 125 ? 0.8714 0.7695 0.7158 -0.0145 -0.1078 -0.0381 135 LEU d N +37778 C CA . LEU V 125 ? 0.9400 0.8355 0.7783 -0.0128 -0.1119 -0.0401 135 LEU d CA +37779 C C . LEU V 125 ? 0.9264 0.8154 0.7549 -0.0090 -0.1112 -0.0380 135 LEU d C +37780 O O . LEU V 125 ? 0.9217 0.8102 0.7461 -0.0062 -0.1144 -0.0385 135 LEU d O +37781 C CB . LEU V 125 ? 0.9690 0.8619 0.8059 -0.0158 -0.1130 -0.0428 135 LEU d CB +37782 C CG . LEU V 125 ? 1.0995 0.9986 0.9456 -0.0198 -0.1144 -0.0454 135 LEU d CG +37783 C CD1 . LEU V 125 ? 1.1854 1.0809 1.0295 -0.0229 -0.1148 -0.0478 135 LEU d CD1 +37784 C CD2 . LEU V 125 ? 0.9412 0.8468 0.7918 -0.0189 -0.1191 -0.0474 135 LEU d CD2 +37785 N N A VAL V 126 ? 0.9933 0.8776 0.8181 -0.0087 -0.1068 -0.0356 136 VAL d N +37786 N N B VAL V 126 ? 0.9953 0.8796 0.8201 -0.0087 -0.1068 -0.0356 136 VAL d N +37787 C CA A VAL V 126 ? 0.9043 0.7825 0.7200 -0.0052 -0.1055 -0.0334 136 VAL d CA +37788 C CA B VAL V 126 ? 0.9034 0.7817 0.7192 -0.0053 -0.1054 -0.0334 136 VAL d CA +37789 C C A VAL V 126 ? 0.8804 0.7609 0.6971 -0.0025 -0.1048 -0.0309 136 VAL d C +37790 C C B VAL V 126 ? 0.8790 0.7595 0.6957 -0.0025 -0.1048 -0.0309 136 VAL d C +37791 O O A VAL V 126 ? 0.8930 0.7694 0.7025 0.0007 -0.1050 -0.0295 136 VAL d O +37792 O O B VAL V 126 ? 0.8916 0.7682 0.7011 0.0007 -0.1052 -0.0296 136 VAL d O +37793 C CB A VAL V 126 ? 0.9232 0.7961 0.7352 -0.0060 -0.1011 -0.0319 136 VAL d CB +37794 C CB B VAL V 126 ? 0.9224 0.7954 0.7346 -0.0061 -0.1009 -0.0319 136 VAL d CB +37795 C CG1 A VAL V 126 ? 1.0858 0.9540 0.8909 -0.0028 -0.0982 -0.0289 136 VAL d CG1 +37796 C CG1 B VAL V 126 ? 1.0879 0.9564 0.8934 -0.0029 -0.0981 -0.0289 136 VAL d CG1 +37797 C CG2 A VAL V 126 ? 1.0516 0.9200 0.8588 -0.0073 -0.1024 -0.0344 136 VAL d CG2 +37798 C CG2 B VAL V 126 ? 1.0526 0.9212 0.8601 -0.0074 -0.1022 -0.0342 136 VAL d CG2 +37799 N N A GLY V 127 ? 0.8967 0.7831 0.7219 -0.0038 -0.1039 -0.0303 137 GLY d N +37800 N N B GLY V 127 ? 0.8962 0.7827 0.7214 -0.0037 -0.1039 -0.0303 137 GLY d N +37801 C CA A GLY V 127 ? 0.9001 0.7886 0.7265 -0.0014 -0.1031 -0.0280 137 GLY d CA +37802 C CA B GLY V 127 ? 0.8979 0.7864 0.7241 -0.0012 -0.1033 -0.0280 137 GLY d CA +37803 C C A GLY V 127 ? 0.9572 0.8430 0.7821 -0.0007 -0.0982 -0.0246 137 GLY d C +37804 C C B GLY V 127 ? 0.9580 0.8440 0.7830 -0.0006 -0.0984 -0.0246 137 GLY d C +37805 O O A GLY V 127 ? 0.8885 0.7722 0.7093 0.0021 -0.0975 -0.0225 137 GLY d O +37806 O O B GLY V 127 ? 0.8844 0.7687 0.7058 0.0022 -0.0977 -0.0225 137 GLY d O +37807 N N A VAL V 128 ? 0.8979 0.7835 0.7258 -0.0033 -0.0948 -0.0241 138 VAL d N +37808 N N B VAL V 128 ? 0.8995 0.7853 0.7275 -0.0032 -0.0949 -0.0241 138 VAL d N +37809 C CA A VAL V 128 ? 0.9057 0.7895 0.7331 -0.0028 -0.0902 -0.0211 138 VAL d CA +37810 C CA B VAL V 128 ? 0.9070 0.7911 0.7345 -0.0027 -0.0903 -0.0211 138 VAL d CA +37811 C C A VAL V 128 ? 0.8472 0.7366 0.6838 -0.0050 -0.0884 -0.0206 138 VAL d C +37812 C C B VAL V 128 ? 0.8475 0.7372 0.6843 -0.0050 -0.0885 -0.0206 138 VAL d C +37813 O O A VAL V 128 ? 0.8651 0.7591 0.7080 -0.0073 -0.0902 -0.0226 138 VAL d O +37814 O O B VAL V 128 ? 0.8671 0.7614 0.7102 -0.0073 -0.0904 -0.0226 138 VAL d O +37815 C CB A VAL V 128 ? 0.8891 0.7671 0.7110 -0.0033 -0.0873 -0.0206 138 VAL d CB +37816 C CB B VAL V 128 ? 0.8890 0.7673 0.7110 -0.0032 -0.0874 -0.0205 138 VAL d CB +37817 C CG1 A VAL V 128 ? 0.8865 0.7587 0.6987 -0.0007 -0.0886 -0.0207 138 VAL d CG1 +37818 C CG1 B VAL V 128 ? 0.8866 0.7590 0.6989 -0.0006 -0.0888 -0.0208 138 VAL d CG1 +37819 C CG2 A VAL V 128 ? 0.8140 0.6927 0.6392 -0.0066 -0.0875 -0.0228 138 VAL d CG2 +37820 C CG2 B VAL V 128 ? 0.8125 0.6914 0.6380 -0.0065 -0.0873 -0.0225 138 VAL d CG2 +37821 N N A ARG V 129 ? 0.8492 0.7383 0.6864 -0.0044 -0.0849 -0.0178 139 ARG d N +37822 N N B ARG V 129 ? 0.8488 0.7380 0.6862 -0.0045 -0.0849 -0.0179 139 ARG d N +37823 C CA A ARG V 129 ? 0.8686 0.7624 0.7139 -0.0064 -0.0828 -0.0172 139 ARG d CA +37824 C CA B ARG V 129 ? 0.8678 0.7618 0.7134 -0.0065 -0.0829 -0.0172 139 ARG d CA +37825 C C A ARG V 129 ? 0.8512 0.7441 0.6984 -0.0094 -0.0808 -0.0180 139 ARG d C +37826 C C B ARG V 129 ? 0.8517 0.7451 0.6995 -0.0095 -0.0809 -0.0181 139 ARG d C +37827 O O A ARG V 129 ? 0.8211 0.7090 0.6627 -0.0093 -0.0796 -0.0179 139 ARG d O +37828 O O B ARG V 129 ? 0.8178 0.7062 0.6602 -0.0095 -0.0795 -0.0178 139 ARG d O +37829 C CB A ARG V 129 ? 0.8774 0.7706 0.7224 -0.0050 -0.0796 -0.0141 139 ARG d CB +37830 C CB B ARG V 129 ? 0.8767 0.7702 0.7220 -0.0050 -0.0797 -0.0142 139 ARG d CB +37831 C CG A ARG V 129 ? 0.9714 0.8643 0.8134 -0.0019 -0.0812 -0.0131 139 ARG d CG +37832 C CG B ARG V 129 ? 0.9740 0.8667 0.8156 -0.0018 -0.0812 -0.0131 139 ARG d CG +37833 C CD A ARG V 129 ? 0.8243 0.7138 0.6622 -0.0001 -0.0778 -0.0101 139 ARG d CD +37834 C CD B ARG V 129 ? 0.8218 0.7112 0.6597 -0.0002 -0.0777 -0.0101 139 ARG d CD +37835 N NE A ARG V 129 ? 0.8934 0.7864 0.7367 -0.0003 -0.0761 -0.0085 139 ARG d NE +37836 N NE B ARG V 129 ? 0.8913 0.7843 0.7348 -0.0005 -0.0760 -0.0085 139 ARG d NE +37837 C CZ A ARG V 129 ? 1.0340 0.9257 0.8771 -0.0002 -0.0724 -0.0062 139 ARG d CZ +37838 C CZ B ARG V 129 ? 1.0365 0.9281 0.8796 -0.0003 -0.0722 -0.0062 139 ARG d CZ +37839 N NH1 A ARG V 129 ? 0.9447 0.8322 0.7833 -0.0002 -0.0697 -0.0052 139 ARG d NH1 +37840 N NH1 B ARG V 129 ? 0.9450 0.8320 0.7828 0.0000 -0.0697 -0.0051 139 ARG d NH1 +37841 N NH2 A ARG V 129 ? 1.1106 1.0054 0.9584 -0.0002 -0.0713 -0.0048 139 ARG d NH2 +37842 N NH2 B ARG V 129 ? 1.1181 1.0130 0.9662 -0.0005 -0.0710 -0.0049 139 ARG d NH2 +37843 N N A PRO V 130 ? 0.7486 0.6461 0.6034 -0.0121 -0.0806 -0.0188 140 PRO d N +37844 N N B PRO V 130 ? 0.7470 0.6451 0.6024 -0.0122 -0.0808 -0.0190 140 PRO d N +37845 C CA A PRO V 130 ? 0.7452 0.6421 0.6021 -0.0151 -0.0792 -0.0200 140 PRO d CA +37846 C CA B PRO V 130 ? 0.7442 0.6413 0.6013 -0.0151 -0.0793 -0.0200 140 PRO d CA +37847 C C A PRO V 130 ? 0.7806 0.6758 0.6381 -0.0157 -0.0748 -0.0177 140 PRO d C +37848 C C B PRO V 130 ? 0.7821 0.6775 0.6397 -0.0157 -0.0749 -0.0177 140 PRO d C +37849 O O A PRO V 130 ? 0.7382 0.6356 0.6009 -0.0183 -0.0733 -0.0180 140 PRO d O +37850 O O B PRO V 130 ? 0.7383 0.6358 0.6010 -0.0183 -0.0734 -0.0181 140 PRO d O +37851 C CB A PRO V 130 ? 0.7830 0.6855 0.6473 -0.0175 -0.0812 -0.0219 140 PRO d CB +37852 C CB B PRO V 130 ? 0.7820 0.6851 0.6470 -0.0177 -0.0812 -0.0220 140 PRO d CB +37853 C CG A PRO V 130 ? 0.7309 0.6381 0.5994 -0.0160 -0.0815 -0.0208 140 PRO d CG +37854 C CG B PRO V 130 ? 0.7300 0.6376 0.5990 -0.0162 -0.0816 -0.0209 140 PRO d CG +37855 C CD A PRO V 130 ? 0.7528 0.6567 0.6147 -0.0124 -0.0820 -0.0192 140 PRO d CD +37856 C CD B PRO V 130 ? 0.7496 0.6540 0.6122 -0.0126 -0.0823 -0.0194 140 PRO d CD +37857 N N A TYR V 131 ? 0.7978 0.6893 0.6501 -0.0135 -0.0726 -0.0155 141 TYR d N +37858 N N B TYR V 131 ? 0.7994 0.6912 0.6519 -0.0134 -0.0727 -0.0155 141 TYR d N +37859 C CA A TYR V 131 ? 0.6939 0.5844 0.5472 -0.0139 -0.0686 -0.0135 141 TYR d CA +37860 C CA B TYR V 131 ? 0.6921 0.5828 0.5455 -0.0139 -0.0687 -0.0135 141 TYR d CA +37861 C C A TYR V 131 ? 0.7293 0.6160 0.5802 -0.0154 -0.0670 -0.0141 141 TYR d C +37862 C C B TYR V 131 ? 0.7276 0.6144 0.5784 -0.0153 -0.0671 -0.0141 141 TYR d C +37863 O O A TYR V 131 ? 0.7470 0.6339 0.6005 -0.0166 -0.0642 -0.0131 141 TYR d O +37864 O O B TYR V 131 ? 0.7495 0.6362 0.6025 -0.0164 -0.0642 -0.0130 141 TYR d O +37865 C CB A TYR V 131 ? 0.7449 0.6331 0.5939 -0.0111 -0.0666 -0.0110 141 TYR d CB +37866 C CB B TYR V 131 ? 0.7451 0.6336 0.5944 -0.0111 -0.0667 -0.0109 141 TYR d CB +37867 C CG A TYR V 131 ? 0.7869 0.6790 0.6396 -0.0101 -0.0670 -0.0097 141 TYR d CG +37868 C CG B TYR V 131 ? 0.7855 0.6779 0.6385 -0.0101 -0.0670 -0.0097 141 TYR d CG +37869 C CD1 A TYR V 131 ? 0.7898 0.6847 0.6475 -0.0108 -0.0645 -0.0081 141 TYR d CD1 +37870 C CD1 B TYR V 131 ? 0.7897 0.6849 0.6477 -0.0109 -0.0646 -0.0081 141 TYR d CD1 +37871 C CD2 A TYR V 131 ? 0.8646 0.7577 0.7158 -0.0084 -0.0700 -0.0103 141 TYR d CD2 +37872 C CD2 B TYR V 131 ? 0.8669 0.7600 0.7181 -0.0083 -0.0700 -0.0102 141 TYR d CD2 +37873 C CE1 A TYR V 131 ? 0.8538 0.7522 0.7148 -0.0099 -0.0649 -0.0071 141 TYR d CE1 +37874 C CE1 B TYR V 131 ? 0.8526 0.7511 0.7138 -0.0099 -0.0649 -0.0071 141 TYR d CE1 +37875 C CE2 A TYR V 131 ? 0.9314 0.8278 0.7858 -0.0073 -0.0705 -0.0093 141 TYR d CE2 +37876 C CE2 B TYR V 131 ? 0.9327 0.8290 0.7870 -0.0072 -0.0704 -0.0091 141 TYR d CE2 +37877 C CZ A TYR V 131 ? 0.9237 0.8227 0.7830 -0.0081 -0.0679 -0.0077 141 TYR d CZ +37878 C CZ B TYR V 131 ? 0.9250 0.8241 0.7843 -0.0080 -0.0678 -0.0076 141 TYR d CZ +37879 O OH A TYR V 131 ? 0.9863 0.8883 0.8483 -0.0069 -0.0685 -0.0068 141 TYR d OH +37880 O OH B TYR V 131 ? 0.9934 0.8953 0.8554 -0.0069 -0.0682 -0.0065 141 TYR d OH +37881 N N A ASN V 132 ? 0.7847 0.6679 0.6307 -0.0153 -0.0689 -0.0159 142 ASN d N +37882 N N B ASN V 132 ? 0.7853 0.6687 0.6314 -0.0153 -0.0691 -0.0159 142 ASN d N +37883 C CA A ASN V 132 ? 0.7470 0.6263 0.5908 -0.0169 -0.0676 -0.0167 142 ASN d CA +37884 C CA B ASN V 132 ? 0.7475 0.6271 0.5914 -0.0168 -0.0678 -0.0168 142 ASN d CA +37885 C C A ASN V 132 ? 0.7192 0.6017 0.5695 -0.0202 -0.0677 -0.0181 142 ASN d C +37886 C C B ASN V 132 ? 0.7174 0.6000 0.5677 -0.0202 -0.0678 -0.0181 142 ASN d C +37887 O O A ASN V 132 ? 0.7709 0.6517 0.6220 -0.0216 -0.0652 -0.0176 142 ASN d O +37888 O O B ASN V 132 ? 0.7732 0.6541 0.6243 -0.0215 -0.0652 -0.0175 142 ASN d O +37889 C CB A ASN V 132 ? 0.7706 0.6455 0.6077 -0.0161 -0.0698 -0.0185 142 ASN d CB +37890 C CB B ASN V 132 ? 0.7680 0.6433 0.6054 -0.0161 -0.0701 -0.0186 142 ASN d CB +37891 C CG A ASN V 132 ? 0.9043 0.7746 0.7384 -0.0175 -0.0685 -0.0194 142 ASN d CG +37892 C CG B ASN V 132 ? 0.9068 0.7774 0.7411 -0.0175 -0.0688 -0.0195 142 ASN d CG +37893 O OD1 A ASN V 132 ? 0.8592 0.7285 0.6931 -0.0194 -0.0706 -0.0218 142 ASN d OD1 +37894 O OD1 B ASN V 132 ? 0.8586 0.7281 0.6925 -0.0193 -0.0709 -0.0219 142 ASN d OD1 +37895 N ND2 A ASN V 132 ? 0.8394 0.7069 0.6714 -0.0166 -0.0650 -0.0176 142 ASN d ND2 +37896 N ND2 B ASN V 132 ? 0.8401 0.7080 0.6723 -0.0166 -0.0653 -0.0176 142 ASN d ND2 +37897 N N A ALA V 133 ? 0.7190 0.6059 0.5739 -0.0215 -0.0705 -0.0197 143 ALA d N +37898 N N B ALA V 133 ? 0.7175 0.6046 0.5726 -0.0216 -0.0706 -0.0198 143 ALA d N +37899 C CA A ALA V 133 ? 0.7595 0.6498 0.6210 -0.0249 -0.0704 -0.0209 143 ALA d CA +37900 C CA B ALA V 133 ? 0.7599 0.6501 0.6214 -0.0249 -0.0704 -0.0210 143 ALA d CA +37901 C C A ALA V 133 ? 0.7578 0.6509 0.6242 -0.0253 -0.0674 -0.0189 143 ALA d C +37902 C C B ALA V 133 ? 0.7586 0.6516 0.6250 -0.0254 -0.0674 -0.0189 143 ALA d C +37903 O O A ALA V 133 ? 0.7656 0.6584 0.6346 -0.0276 -0.0655 -0.0189 143 ALA d O +37904 O O B ALA V 133 ? 0.7668 0.6594 0.6356 -0.0275 -0.0654 -0.0188 143 ALA d O +37905 C CB A ALA V 133 ? 0.7100 0.6051 0.5759 -0.0260 -0.0740 -0.0232 143 ALA d CB +37906 C CB B ALA V 133 ? 0.7087 0.6038 0.5747 -0.0261 -0.0740 -0.0232 143 ALA d CB +37907 N N A ILE V 134 ? 0.7335 0.6291 0.6011 -0.0232 -0.0670 -0.0171 144 ILE d N +37908 N N B ILE V 134 ? 0.7336 0.6292 0.6012 -0.0233 -0.0670 -0.0171 144 ILE d N +37909 C CA A ILE V 134 ? 0.7464 0.6444 0.6182 -0.0235 -0.0642 -0.0151 144 ILE d CA +37910 C CA B ILE V 134 ? 0.7466 0.6447 0.6186 -0.0235 -0.0642 -0.0152 144 ILE d CA +37911 C C A ILE V 134 ? 0.7200 0.6139 0.5890 -0.0235 -0.0609 -0.0137 144 ILE d C +37912 C C B ILE V 134 ? 0.7201 0.6142 0.5892 -0.0234 -0.0609 -0.0136 144 ILE d C +37913 O O A ILE V 134 ? 0.7418 0.6367 0.6144 -0.0252 -0.0589 -0.0132 144 ILE d O +37914 O O B ILE V 134 ? 0.7430 0.6381 0.6157 -0.0250 -0.0587 -0.0129 144 ILE d O +37915 C CB A ILE V 134 ? 0.7629 0.6633 0.6352 -0.0209 -0.0645 -0.0135 144 ILE d CB +37916 C CB B ILE V 134 ? 0.7650 0.6657 0.6377 -0.0211 -0.0646 -0.0136 144 ILE d CB +37917 C CG1 A ILE V 134 ? 0.7316 0.6372 0.6087 -0.0214 -0.0675 -0.0149 144 ILE d CG1 +37918 C CG1 B ILE V 134 ? 0.7296 0.6357 0.6075 -0.0217 -0.0674 -0.0150 144 ILE d CG1 +37919 C CG2 A ILE V 134 ? 0.6831 0.5847 0.5580 -0.0206 -0.0612 -0.0111 144 ILE d CG2 +37920 C CG2 B ILE V 134 ? 0.6828 0.5844 0.5576 -0.0207 -0.0613 -0.0111 144 ILE d CG2 +37921 C CD1 A ILE V 134 ? 0.8185 0.7252 0.6942 -0.0185 -0.0687 -0.0139 144 ILE d CD1 +37922 C CD1 B ILE V 134 ? 0.8277 0.7356 0.7050 -0.0190 -0.0686 -0.0140 144 ILE d CD1 +37923 N N A ALA V 135 ? 0.7032 0.5924 0.5656 -0.0215 -0.0603 -0.0130 145 ALA d N +37924 N N B ALA V 135 ? 0.7030 0.5922 0.5654 -0.0215 -0.0604 -0.0131 145 ALA d N +37925 C CA A ALA V 135 ? 0.7017 0.5870 0.5612 -0.0212 -0.0572 -0.0118 145 ALA d CA +37926 C CA B ALA V 135 ? 0.7011 0.5866 0.5607 -0.0212 -0.0573 -0.0118 145 ALA d CA +37927 C C A ALA V 135 ? 0.7896 0.6729 0.6496 -0.0237 -0.0568 -0.0132 145 ALA d C +37928 C C B ALA V 135 ? 0.7917 0.6750 0.6518 -0.0237 -0.0568 -0.0132 145 ALA d C +37929 O O A ALA V 135 ? 0.7768 0.6583 0.6368 -0.0241 -0.0541 -0.0121 145 ALA d O +37930 O O B ALA V 135 ? 0.7792 0.6609 0.6394 -0.0242 -0.0542 -0.0121 145 ALA d O +37931 C CB A ALA V 135 ? 0.6316 0.5123 0.4838 -0.0186 -0.0569 -0.0111 145 ALA d CB +37932 C CB B ALA V 135 ? 0.6296 0.5106 0.4820 -0.0186 -0.0569 -0.0111 145 ALA d CB +37933 N N A PHE V 136 ? 0.7833 0.6664 0.6433 -0.0254 -0.0593 -0.0155 146 PHE d N +37934 N N B PHE V 136 ? 0.7851 0.6684 0.6453 -0.0254 -0.0594 -0.0156 146 PHE d N +37935 C CA A PHE V 136 ? 0.7352 0.6158 0.5953 -0.0280 -0.0590 -0.0170 146 PHE d CA +37936 C CA B PHE V 136 ? 0.7347 0.6154 0.5948 -0.0280 -0.0591 -0.0171 146 PHE d CA +37937 C C A PHE V 136 ? 0.7386 0.6228 0.6053 -0.0307 -0.0579 -0.0171 146 PHE d C +37938 C C B PHE V 136 ? 0.7396 0.6238 0.6063 -0.0307 -0.0580 -0.0171 146 PHE d C +37939 O O A PHE V 136 ? 0.7378 0.6195 0.6045 -0.0328 -0.0570 -0.0179 146 PHE d O +37940 O O B PHE V 136 ? 0.7387 0.6205 0.6055 -0.0329 -0.0572 -0.0180 146 PHE d O +37941 C CB A PHE V 136 ? 0.6910 0.5703 0.5489 -0.0290 -0.0623 -0.0197 146 PHE d CB +37942 C CB B PHE V 136 ? 0.6887 0.5681 0.5467 -0.0290 -0.0623 -0.0197 146 PHE d CB +37943 C CG A PHE V 136 ? 0.7138 0.5885 0.5693 -0.0311 -0.0619 -0.0212 146 PHE d CG +37944 C CG B PHE V 136 ? 0.7128 0.5877 0.5683 -0.0310 -0.0620 -0.0212 146 PHE d CG +37945 C CD1 A PHE V 136 ? 0.7926 0.6615 0.6419 -0.0297 -0.0601 -0.0205 146 PHE d CD1 +37946 C CD1 B PHE V 136 ? 0.7936 0.6626 0.6429 -0.0296 -0.0602 -0.0205 146 PHE d CD1 +37947 C CD2 A PHE V 136 ? 0.6443 0.5207 0.5037 -0.0345 -0.0632 -0.0233 146 PHE d CD2 +37948 C CD2 B PHE V 136 ? 0.6417 0.5181 0.5009 -0.0344 -0.0633 -0.0233 146 PHE d CD2 +37949 C CE1 A PHE V 136 ? 0.7842 0.6484 0.6308 -0.0315 -0.0597 -0.0219 146 PHE d CE1 +37950 C CE1 B PHE V 136 ? 0.7845 0.6488 0.6311 -0.0314 -0.0598 -0.0219 146 PHE d CE1 +37951 C CE2 A PHE V 136 ? 0.7631 0.6348 0.6198 -0.0365 -0.0627 -0.0246 146 PHE d CE2 +37952 C CE2 B PHE V 136 ? 0.7644 0.6362 0.6211 -0.0364 -0.0629 -0.0247 146 PHE d CE2 +37953 C CZ A PHE V 136 ? 0.7719 0.6372 0.6221 -0.0349 -0.0611 -0.0239 146 PHE d CZ +37954 C CZ B PHE V 136 ? 0.7718 0.6372 0.6219 -0.0349 -0.0612 -0.0240 146 PHE d CZ +37955 N N . SER V 137 ? 0.7393 0.6288 0.6113 -0.0306 -0.0580 -0.0162 147 SER d N +37956 C CA . SER V 137 ? 0.7430 0.6357 0.6211 -0.0329 -0.0565 -0.0159 147 SER d CA +37957 C C . SER V 137 ? 0.7927 0.6823 0.6694 -0.0329 -0.0532 -0.0143 147 SER d C +37958 O O . SER V 137 ? 0.7265 0.6167 0.6065 -0.0352 -0.0519 -0.0144 147 SER d O +37959 C CB . SER V 137 ? 0.7142 0.6127 0.5975 -0.0323 -0.0569 -0.0151 147 SER d CB +37960 O OG . SER V 137 ? 0.6518 0.5499 0.5333 -0.0296 -0.0553 -0.0127 147 SER d OG +37961 N N A ALA V 138 ? 0.6575 0.5439 0.5295 -0.0303 -0.0518 -0.0127 148 ALA d N +37962 N N B ALA V 138 ? 0.6564 0.5429 0.5285 -0.0303 -0.0518 -0.0127 148 ALA d N +37963 C CA A ALA V 138 ? 0.6709 0.5548 0.5420 -0.0300 -0.0488 -0.0111 148 ALA d CA +37964 C CA B ALA V 138 ? 0.6702 0.5541 0.5412 -0.0300 -0.0488 -0.0111 148 ALA d CA +37965 C C A ALA V 138 ? 0.6925 0.5714 0.5605 -0.0315 -0.0482 -0.0122 148 ALA d C +37966 C C B ALA V 138 ? 0.6928 0.5717 0.5608 -0.0316 -0.0482 -0.0123 148 ALA d C +37967 O O A ALA V 138 ? 0.6981 0.5765 0.5681 -0.0331 -0.0465 -0.0118 148 ALA d O +37968 O O B ALA V 138 ? 0.6991 0.5775 0.5690 -0.0332 -0.0465 -0.0119 148 ALA d O +37969 C CB A ALA V 138 ? 0.6511 0.5336 0.5186 -0.0268 -0.0474 -0.0091 148 ALA d CB +37970 C CB B ALA V 138 ? 0.6509 0.5334 0.5184 -0.0268 -0.0474 -0.0091 148 ALA d CB +37971 N N A PRO V 139 ? 0.7249 0.5997 0.5878 -0.0311 -0.0495 -0.0136 149 PRO d N +37972 N N B PRO V 139 ? 0.7254 0.6002 0.5882 -0.0311 -0.0496 -0.0136 149 PRO d N +37973 C CA A PRO V 139 ? 0.7522 0.6221 0.6123 -0.0329 -0.0491 -0.0149 149 PRO d CA +37974 C CA B PRO V 139 ? 0.7530 0.6230 0.6131 -0.0329 -0.0492 -0.0149 149 PRO d CA +37975 C C A PRO V 139 ? 0.7527 0.6245 0.6174 -0.0365 -0.0497 -0.0163 149 PRO d C +37976 C C B PRO V 139 ? 0.7531 0.6250 0.6179 -0.0365 -0.0497 -0.0163 149 PRO d C +37977 O O A PRO V 139 ? 0.7379 0.6066 0.6021 -0.0382 -0.0482 -0.0165 149 PRO d O +37978 O O B PRO V 139 ? 0.7383 0.6071 0.6026 -0.0382 -0.0482 -0.0164 149 PRO d O +37979 C CB A PRO V 139 ? 0.7648 0.6310 0.6192 -0.0319 -0.0511 -0.0164 149 PRO d CB +37980 C CB B PRO V 139 ? 0.7649 0.6314 0.6195 -0.0320 -0.0513 -0.0165 149 PRO d CB +37981 C CG A PRO V 139 ? 0.7767 0.6444 0.6294 -0.0288 -0.0513 -0.0151 149 PRO d CG +37982 C CG B PRO V 139 ? 0.7772 0.6449 0.6298 -0.0288 -0.0514 -0.0151 149 PRO d CG +37983 C CD A PRO V 139 ? 0.7362 0.6099 0.5947 -0.0288 -0.0511 -0.0138 149 PRO d CD +37984 C CD B PRO V 139 ? 0.7361 0.6098 0.5946 -0.0287 -0.0511 -0.0138 149 PRO d CD +37985 N N . ILE V 140 ? 0.6301 0.5068 0.4992 -0.0378 -0.0519 -0.0175 150 ILE d N +37986 C CA . ILE V 140 ? 0.7504 0.6296 0.6246 -0.0414 -0.0523 -0.0189 150 ILE d CA +37987 C C . ILE V 140 ? 0.7593 0.6407 0.6377 -0.0422 -0.0497 -0.0173 150 ILE d C +37988 O O . ILE V 140 ? 0.7746 0.6544 0.6541 -0.0448 -0.0486 -0.0178 150 ILE d O +37989 C CB . ILE V 140 ? 0.8877 0.7723 0.7660 -0.0422 -0.0552 -0.0205 150 ILE d CB +37990 C CG1 . ILE V 140 ? 0.8197 0.7015 0.6937 -0.0422 -0.0579 -0.0226 150 ILE d CG1 +37991 C CG2 . ILE V 140 ? 0.6845 0.5733 0.5695 -0.0456 -0.0552 -0.0215 150 ILE d CG2 +37992 C CD1 . ILE V 140 ? 0.8455 0.7323 0.7230 -0.0426 -0.0611 -0.0243 150 ILE d CD1 +37993 N N . ALA V 141 ? 0.7240 0.6088 0.6045 -0.0402 -0.0489 -0.0154 151 ALA d N +37994 C CA . ALA V 141 ? 0.7605 0.6470 0.6445 -0.0407 -0.0465 -0.0138 151 ALA d CA +37995 C C . ALA V 141 ? 0.6555 0.5365 0.5357 -0.0408 -0.0441 -0.0130 151 ALA d C +37996 O O . ALA V 141 ? 0.6836 0.5642 0.5659 -0.0429 -0.0426 -0.0129 151 ALA d O +37997 C CB . ALA V 141 ? 0.7097 0.5998 0.5953 -0.0381 -0.0459 -0.0118 151 ALA d CB +37998 N N . VAL V 142 ? 0.6224 0.4989 0.4969 -0.0386 -0.0438 -0.0125 152 VAL d N +37999 C CA . VAL V 142 ? 0.6544 0.5254 0.5250 -0.0383 -0.0418 -0.0119 152 VAL d CA +38000 C C . VAL V 142 ? 0.7849 0.6524 0.6546 -0.0414 -0.0420 -0.0137 152 VAL d C +38001 O O . VAL V 142 ? 0.7537 0.6192 0.6238 -0.0429 -0.0403 -0.0133 152 VAL d O +38002 C CB . VAL V 142 ? 0.6804 0.5475 0.5450 -0.0352 -0.0415 -0.0112 152 VAL d CB +38003 C CG1 . VAL V 142 ? 0.7091 0.5700 0.5692 -0.0351 -0.0398 -0.0111 152 VAL d CG1 +38004 C CG2 . VAL V 142 ? 0.6465 0.5168 0.5123 -0.0325 -0.0406 -0.0092 152 VAL d CG2 +38005 N N . PHE V 143 ? 0.7423 0.6089 0.6105 -0.0425 -0.0443 -0.0158 153 PHE d N +38006 C CA . PHE V 143 ? 0.7322 0.5949 0.5991 -0.0456 -0.0445 -0.0176 153 PHE d CA +38007 C C . PHE V 143 ? 0.7163 0.5823 0.5890 -0.0489 -0.0439 -0.0180 153 PHE d C +38008 O O . PHE V 143 ? 0.7119 0.5741 0.5836 -0.0510 -0.0424 -0.0182 153 PHE d O +38009 C CB . PHE V 143 ? 0.7108 0.5724 0.5756 -0.0463 -0.0473 -0.0199 153 PHE d CB +38010 C CG . PHE V 143 ? 0.7881 0.6457 0.6516 -0.0496 -0.0476 -0.0219 153 PHE d CG +38011 C CD1 . PHE V 143 ? 0.6983 0.5484 0.5555 -0.0493 -0.0465 -0.0220 153 PHE d CD1 +38012 C CD2 . PHE V 143 ? 0.6692 0.5303 0.5377 -0.0532 -0.0487 -0.0236 153 PHE d CD2 +38013 C CE1 . PHE V 143 ? 0.8381 0.6840 0.6939 -0.0524 -0.0467 -0.0238 153 PHE d CE1 +38014 C CE2 . PHE V 143 ? 0.8340 0.6913 0.7015 -0.0565 -0.0488 -0.0254 153 PHE d CE2 +38015 C CZ . PHE V 143 ? 0.7548 0.6042 0.6157 -0.0562 -0.0478 -0.0255 153 PHE d CZ +38016 N N . VAL V 144 ? 0.7305 0.6033 0.6090 -0.0494 -0.0449 -0.0181 154 VAL d N +38017 C CA . VAL V 144 ? 0.7300 0.6063 0.6142 -0.0526 -0.0443 -0.0187 154 VAL d CA +38018 C C . VAL V 144 ? 0.7795 0.6547 0.6644 -0.0526 -0.0414 -0.0167 154 VAL d C +38019 O O . VAL V 144 ? 0.7696 0.6437 0.6560 -0.0555 -0.0401 -0.0171 154 VAL d O +38020 C CB . VAL V 144 ? 0.8579 0.7418 0.7481 -0.0526 -0.0461 -0.0191 154 VAL d CB +38021 C CG1 . VAL V 144 ? 0.8531 0.7414 0.7494 -0.0548 -0.0448 -0.0189 154 VAL d CG1 +38022 C CG2 . VAL V 144 ? 0.7799 0.6650 0.6705 -0.0539 -0.0491 -0.0217 154 VAL d CG2 +38023 N N . SER V 145 ? 0.6777 0.5533 0.5614 -0.0495 -0.0403 -0.0146 155 SER d N +38024 C CA . SER V 145 ? 0.7243 0.5998 0.6093 -0.0494 -0.0378 -0.0128 155 SER d CA +38025 C C . SER V 145 ? 0.7112 0.5797 0.5910 -0.0494 -0.0360 -0.0123 155 SER d C +38026 O O . SER V 145 ? 0.7121 0.5791 0.5926 -0.0511 -0.0342 -0.0118 155 SER d O +38027 C CB . SER V 145 ? 0.7683 0.6474 0.6546 -0.0462 -0.0373 -0.0108 155 SER d CB +38028 O OG . SER V 145 ? 0.8044 0.6800 0.6856 -0.0432 -0.0371 -0.0099 155 SER d OG +38029 N N . VAL V 146 ? 0.6820 0.5457 0.5561 -0.0475 -0.0365 -0.0125 156 VAL d N +38030 C CA . VAL V 146 ? 0.6855 0.5422 0.5543 -0.0472 -0.0349 -0.0120 156 VAL d CA +38031 C C . VAL V 146 ? 0.7985 0.6511 0.6659 -0.0506 -0.0350 -0.0139 156 VAL d C +38032 O O . VAL V 146 ? 0.7240 0.5720 0.5893 -0.0517 -0.0333 -0.0135 156 VAL d O +38033 C CB . VAL V 146 ? 0.8357 0.6890 0.6990 -0.0438 -0.0353 -0.0117 156 VAL d CB +38034 C CG1 . VAL V 146 ? 0.8646 0.7104 0.7222 -0.0433 -0.0337 -0.0114 156 VAL d CG1 +38035 C CG2 . VAL V 146 ? 0.7408 0.5980 0.6055 -0.0406 -0.0348 -0.0098 156 VAL d CG2 +38036 N N . PHE V 147 ? 0.7268 0.5802 0.5947 -0.0524 -0.0372 -0.0160 157 PHE d N +38037 C CA . PHE V 147 ? 0.8646 0.7131 0.7303 -0.0555 -0.0374 -0.0179 157 PHE d CA +38038 C C . PHE V 147 ? 0.6941 0.5460 0.5652 -0.0596 -0.0373 -0.0190 157 PHE d C +38039 O O . PHE V 147 ? 0.7919 0.6394 0.6613 -0.0626 -0.0366 -0.0201 157 PHE d O +38040 C CB . PHE V 147 ? 0.8109 0.6576 0.6734 -0.0553 -0.0398 -0.0198 157 PHE d CB +38041 C CG . PHE V 147 ? 0.7745 0.6155 0.6302 -0.0521 -0.0396 -0.0192 157 PHE d CG +38042 C CD1 . PHE V 147 ? 0.7220 0.5653 0.5768 -0.0483 -0.0399 -0.0179 157 PHE d CD1 +38043 C CD2 . PHE V 147 ? 0.6950 0.5282 0.5450 -0.0528 -0.0388 -0.0198 157 PHE d CD2 +38044 C CE1 . PHE V 147 ? 0.8478 0.6861 0.6966 -0.0453 -0.0395 -0.0173 157 PHE d CE1 +38045 C CE2 . PHE V 147 ? 0.8149 0.6429 0.6586 -0.0496 -0.0385 -0.0193 157 PHE d CE2 +38046 C CZ . PHE V 147 ? 0.8474 0.6782 0.6906 -0.0459 -0.0388 -0.0180 157 PHE d CZ +38047 N N . LEU V 148 ? 0.6547 0.5141 0.5321 -0.0598 -0.0378 -0.0187 158 LEU d N +38048 C CA . LEU V 148 ? 0.7506 0.6141 0.6338 -0.0635 -0.0376 -0.0198 158 LEU d CA +38049 C C . LEU V 148 ? 0.8025 0.6693 0.6895 -0.0634 -0.0355 -0.0179 158 LEU d C +38050 O O . LEU V 148 ? 0.7198 0.5846 0.6074 -0.0659 -0.0336 -0.0178 158 LEU d O +38051 C CB . LEU V 148 ? 0.6370 0.5068 0.5249 -0.0643 -0.0404 -0.0216 158 LEU d CB +38052 C CG . LEU V 148 ? 0.8377 0.7046 0.7223 -0.0650 -0.0428 -0.0238 158 LEU d CG +38053 C CD1 . LEU V 148 ? 0.7832 0.6570 0.6728 -0.0657 -0.0457 -0.0256 158 LEU d CD1 +38054 C CD2 . LEU V 148 ? 0.8190 0.6801 0.7010 -0.0686 -0.0419 -0.0253 158 LEU d CD2 +38055 N N . ILE V 149 ? 0.7454 0.6172 0.6350 -0.0605 -0.0357 -0.0165 159 ILE d N +38056 C CA . ILE V 149 ? 0.7367 0.6121 0.6302 -0.0606 -0.0339 -0.0149 159 ILE d CA +38057 C C . ILE V 149 ? 0.7231 0.5928 0.6126 -0.0600 -0.0313 -0.0132 159 ILE d C +38058 O O . ILE V 149 ? 0.6800 0.5497 0.5713 -0.0620 -0.0295 -0.0128 159 ILE d O +38059 C CB . ILE V 149 ? 0.7349 0.6160 0.6313 -0.0575 -0.0347 -0.0137 159 ILE d CB +38060 C CG1 . ILE V 149 ? 0.6412 0.5284 0.5425 -0.0585 -0.0371 -0.0154 159 ILE d CG1 +38061 C CG2 . ILE V 149 ? 0.7119 0.5957 0.6114 -0.0572 -0.0327 -0.0119 159 ILE d CG2 +38062 C CD1 . ILE V 149 ? 0.7781 0.6701 0.6812 -0.0553 -0.0383 -0.0144 159 ILE d CD1 +38063 N N . TYR V 150 ? 0.7143 0.5792 0.5982 -0.0572 -0.0312 -0.0123 160 TYR d N +38064 C CA . TYR V 150 ? 0.7017 0.5615 0.5818 -0.0561 -0.0289 -0.0106 160 TYR d CA +38065 C C . TYR V 150 ? 0.7347 0.5892 0.6127 -0.0594 -0.0275 -0.0113 160 TYR d C +38066 O O . TYR V 150 ? 0.7335 0.5872 0.6121 -0.0601 -0.0255 -0.0102 160 TYR d O +38067 C CB . TYR V 150 ? 0.6671 0.5229 0.5416 -0.0525 -0.0291 -0.0097 160 TYR d CB +38068 C CG . TYR V 150 ? 0.7086 0.5589 0.5790 -0.0514 -0.0270 -0.0083 160 TYR d CG +38069 C CD1 . TYR V 150 ? 0.6772 0.5297 0.5492 -0.0497 -0.0256 -0.0063 160 TYR d CD1 +38070 C CD2 . TYR V 150 ? 0.6733 0.5160 0.5380 -0.0520 -0.0265 -0.0089 160 TYR d CD2 +38071 C CE1 . TYR V 150 ? 0.6888 0.5364 0.5570 -0.0486 -0.0238 -0.0050 160 TYR d CE1 +38072 C CE2 . TYR V 150 ? 0.7223 0.5598 0.5831 -0.0509 -0.0246 -0.0075 160 TYR d CE2 +38073 C CZ . TYR V 150 ? 0.7232 0.5632 0.5858 -0.0491 -0.0234 -0.0056 160 TYR d CZ +38074 O OH . TYR V 150 ? 0.7628 0.5979 0.6215 -0.0478 -0.0218 -0.0043 160 TYR d OH +38075 N N . PRO V 151 ? 0.7557 0.6062 0.6310 -0.0614 -0.0283 -0.0132 161 PRO d N +38076 C CA . PRO V 151 ? 0.7631 0.6085 0.6367 -0.0648 -0.0267 -0.0138 161 PRO d CA +38077 C C . PRO V 151 ? 0.6672 0.5173 0.5468 -0.0684 -0.0260 -0.0144 161 PRO d C +38078 O O . PRO V 151 ? 0.7531 0.6000 0.6318 -0.0705 -0.0239 -0.0140 161 PRO d O +38079 C CB . PRO V 151 ? 0.7746 0.6153 0.6444 -0.0662 -0.0282 -0.0158 161 PRO d CB +38080 C CG . PRO V 151 ? 0.7532 0.5990 0.6252 -0.0646 -0.0308 -0.0167 161 PRO d CG +38081 C CD . PRO V 151 ? 0.7230 0.5724 0.5961 -0.0607 -0.0306 -0.0147 161 PRO d CD +38082 N N . LEU V 152 ? 0.6715 0.5290 0.5571 -0.0691 -0.0276 -0.0155 162 LEU d N +38083 C CA . LEU V 152 ? 0.7068 0.5694 0.5985 -0.0724 -0.0269 -0.0162 162 LEU d CA +38084 C C . LEU V 152 ? 0.7897 0.6537 0.6830 -0.0717 -0.0246 -0.0142 162 LEU d C +38085 O O . LEU V 152 ? 0.8032 0.6687 0.6997 -0.0747 -0.0231 -0.0145 162 LEU d O +38086 C CB . LEU V 152 ? 0.6173 0.4879 0.5150 -0.0726 -0.0293 -0.0176 162 LEU d CB +38087 C CG . LEU V 152 ? 0.7092 0.5792 0.6067 -0.0748 -0.0315 -0.0202 162 LEU d CG +38088 C CD1 . LEU V 152 ? 0.6617 0.5392 0.5641 -0.0739 -0.0344 -0.0215 162 LEU d CD1 +38089 C CD2 . LEU V 152 ? 0.7017 0.5695 0.6003 -0.0796 -0.0303 -0.0218 162 LEU d CD2 +38090 N N . GLY V 153 ? 0.7653 0.6293 0.6568 -0.0679 -0.0244 -0.0122 163 GLY d N +38091 C CA . GLY V 153 ? 0.7557 0.6210 0.6485 -0.0670 -0.0224 -0.0103 163 GLY d CA +38092 C C . GLY V 153 ? 0.7439 0.6015 0.6310 -0.0671 -0.0202 -0.0092 163 GLY d C +38093 O O . GLY V 153 ? 0.7411 0.5986 0.6287 -0.0674 -0.0183 -0.0079 163 GLY d O +38094 N N . GLN V 154 ? 0.6515 0.5026 0.5328 -0.0665 -0.0206 -0.0096 164 GLN d N +38095 C CA . GLN V 154 ? 0.7555 0.5985 0.6307 -0.0664 -0.0188 -0.0087 164 GLN d CA +38096 C C . GLN V 154 ? 0.8036 0.6427 0.6782 -0.0709 -0.0176 -0.0100 164 GLN d C +38097 O O . GLN V 154 ? 0.6996 0.5434 0.5793 -0.0741 -0.0179 -0.0114 164 GLN d O +38098 C CB . GLN V 154 ? 0.7702 0.6079 0.6394 -0.0635 -0.0198 -0.0085 164 GLN d CB +38099 C CG . GLN V 154 ? 0.7324 0.5731 0.6016 -0.0589 -0.0205 -0.0069 164 GLN d CG +38100 C CD . GLN V 154 ? 0.7232 0.5635 0.5918 -0.0571 -0.0187 -0.0048 164 GLN d CD +38101 O OE1 . GLN V 154 ? 0.7739 0.6092 0.6396 -0.0582 -0.0170 -0.0042 164 GLN d OE1 +38102 N NE2 . GLN V 154 ? 0.6640 0.5095 0.5353 -0.0542 -0.0192 -0.0036 164 GLN d NE2 +38103 N N . SER V 155 ? 0.6700 0.5008 0.5384 -0.0713 -0.0161 -0.0094 165 SER d N +38104 C CA . SER V 155 ? 0.8454 0.6719 0.7127 -0.0757 -0.0146 -0.0105 165 SER d CA +38105 C C . SER V 155 ? 0.8922 0.7177 0.7597 -0.0785 -0.0161 -0.0130 165 SER d C +38106 O O . SER V 155 ? 0.8596 0.6853 0.7294 -0.0829 -0.0153 -0.0144 165 SER d O +38107 C CB . SER V 155 ? 0.7495 0.5665 0.6094 -0.0752 -0.0126 -0.0093 165 SER d CB +38108 O OG . SER V 155 ? 0.8543 0.6658 0.7084 -0.0725 -0.0136 -0.0092 165 SER d OG +38109 N N . SER V 156 ? 0.7382 0.5630 0.6035 -0.0763 -0.0182 -0.0136 166 SER d N +38110 C CA . SER V 156 ? 0.8224 0.6451 0.6868 -0.0788 -0.0197 -0.0160 166 SER d CA +38111 C C . SER V 156 ? 0.7586 0.5812 0.6206 -0.0756 -0.0222 -0.0165 166 SER d C +38112 O O . SER V 156 ? 0.8017 0.6251 0.6623 -0.0714 -0.0224 -0.0149 166 SER d O +38113 C CB . SER V 156 ? 0.7843 0.5975 0.6427 -0.0814 -0.0181 -0.0165 166 SER d CB +38114 O OG . SER V 156 ? 0.8458 0.6516 0.6968 -0.0780 -0.0179 -0.0153 166 SER d OG +38115 N N . TRP V 157 ? 0.8104 0.6318 0.6719 -0.0776 -0.0239 -0.0187 167 TRP d N +38116 C CA . TRP V 157 ? 0.7660 0.5866 0.6246 -0.0747 -0.0261 -0.0193 167 TRP d CA +38117 C C . TRP V 157 ? 0.6859 0.4985 0.5367 -0.0714 -0.0253 -0.0180 167 TRP d C +38118 O O . TRP V 157 ? 0.7615 0.5742 0.6100 -0.0678 -0.0266 -0.0177 167 TRP d O +38119 C CB . TRP V 157 ? 0.7160 0.5355 0.5744 -0.0777 -0.0280 -0.0221 167 TRP d CB +38120 C CG . TRP V 157 ? 0.8172 0.6444 0.6830 -0.0809 -0.0294 -0.0239 167 TRP d CG +38121 C CD1 . TRP V 157 ? 0.7150 0.5420 0.5832 -0.0858 -0.0292 -0.0259 167 TRP d CD1 +38122 C CD2 . TRP V 157 ? 0.7144 0.5508 0.5863 -0.0794 -0.0312 -0.0240 167 TRP d CD2 +38123 N NE1 . TRP V 157 ? 0.7372 0.5730 0.6128 -0.0873 -0.0308 -0.0272 167 TRP d NE1 +38124 C CE2 . TRP V 157 ? 0.7647 0.6063 0.6426 -0.0834 -0.0321 -0.0261 167 TRP d CE2 +38125 C CE3 . TRP V 157 ? 0.7524 0.5931 0.6253 -0.0752 -0.0320 -0.0224 167 TRP d CE3 +38126 C CZ2 . TRP V 157 ? 0.7024 0.5531 0.5870 -0.0830 -0.0339 -0.0267 167 TRP d CZ2 +38127 C CZ3 . TRP V 157 ? 0.8043 0.6537 0.6836 -0.0749 -0.0337 -0.0230 167 TRP d CZ3 +38128 C CH2 . TRP V 157 ? 0.7563 0.6106 0.6413 -0.0786 -0.0347 -0.0251 167 TRP d CH2 +38129 N N . PHE V 158 ? 0.7033 0.5090 0.5499 -0.0725 -0.0231 -0.0173 168 PHE d N +38130 C CA . PHE V 158 ? 0.7922 0.5897 0.6311 -0.0694 -0.0223 -0.0161 168 PHE d CA +38131 C C . PHE V 158 ? 0.8126 0.6132 0.6513 -0.0642 -0.0227 -0.0143 168 PHE d C +38132 O O . PHE V 158 ? 0.7605 0.5569 0.5940 -0.0611 -0.0232 -0.0141 168 PHE d O +38133 C CB . PHE V 158 ? 0.7298 0.5211 0.5654 -0.0707 -0.0196 -0.0149 168 PHE d CB +38134 C CG . PHE V 158 ? 0.7700 0.5525 0.5975 -0.0676 -0.0188 -0.0139 168 PHE d CG +38135 C CD1 . PHE V 158 ? 0.7300 0.5039 0.5514 -0.0689 -0.0189 -0.0152 168 PHE d CD1 +38136 C CD2 . PHE V 158 ? 0.7507 0.5334 0.5767 -0.0634 -0.0180 -0.0116 168 PHE d CD2 +38137 C CE1 . PHE V 158 ? 0.8282 0.5939 0.6420 -0.0658 -0.0181 -0.0142 168 PHE d CE1 +38138 C CE2 . PHE V 158 ? 0.7897 0.5645 0.6085 -0.0604 -0.0173 -0.0107 168 PHE d CE2 +38139 C CZ . PHE V 158 ? 0.7873 0.5535 0.5998 -0.0615 -0.0173 -0.0120 168 PHE d CZ +38140 N N . PHE V 159 ? 0.8264 0.6341 0.6705 -0.0633 -0.0223 -0.0130 169 PHE d N +38141 C CA . PHE V 159 ? 0.8137 0.6244 0.6579 -0.0587 -0.0224 -0.0112 169 PHE d CA +38142 C C . PHE V 159 ? 0.8110 0.6280 0.6583 -0.0569 -0.0246 -0.0117 169 PHE d C +38143 O O . PHE V 159 ? 0.8560 0.6755 0.7033 -0.0532 -0.0247 -0.0103 169 PHE d O +38144 C CB . PHE V 159 ? 0.7437 0.5581 0.5914 -0.0585 -0.0208 -0.0093 169 PHE d CB +38145 C CG . PHE V 159 ? 0.7735 0.5809 0.6168 -0.0590 -0.0187 -0.0083 169 PHE d CG +38146 C CD1 . PHE V 159 ? 0.7305 0.5324 0.5681 -0.0555 -0.0180 -0.0070 169 PHE d CD1 +38147 C CD2 . PHE V 159 ? 0.7113 0.5174 0.5559 -0.0631 -0.0173 -0.0088 169 PHE d CD2 +38148 C CE1 . PHE V 159 ? 0.7555 0.5505 0.5884 -0.0558 -0.0161 -0.0061 169 PHE d CE1 +38149 C CE2 . PHE V 159 ? 0.7317 0.5307 0.5715 -0.0636 -0.0153 -0.0078 169 PHE d CE2 +38150 C CZ . PHE V 159 ? 0.8856 0.6789 0.7195 -0.0599 -0.0148 -0.0065 169 PHE d CZ +38151 N N . ALA V 160 ? 0.7181 0.5374 0.5677 -0.0594 -0.0263 -0.0137 170 ALA d N +38152 C CA . ALA V 160 ? 0.8060 0.6293 0.6567 -0.0576 -0.0285 -0.0145 170 ALA d CA +38153 C C . ALA V 160 ? 0.7474 0.5649 0.5914 -0.0542 -0.0288 -0.0143 170 ALA d C +38154 O O . ALA V 160 ? 0.7458 0.5559 0.5844 -0.0540 -0.0276 -0.0141 170 ALA d O +38155 C CB . ALA V 160 ? 0.7476 0.5733 0.6013 -0.0611 -0.0303 -0.0169 170 ALA d CB +38156 N N . PRO V 161 ? 0.7200 0.5404 0.5639 -0.0516 -0.0304 -0.0144 171 PRO d N +38157 C CA . PRO V 161 ? 0.8522 0.6668 0.6895 -0.0488 -0.0306 -0.0146 171 PRO d CA +38158 C C . PRO V 161 ? 0.9381 0.7470 0.7716 -0.0513 -0.0317 -0.0169 171 PRO d C +38159 O O . PRO V 161 ? 0.7971 0.6089 0.6338 -0.0543 -0.0332 -0.0186 171 PRO d O +38160 C CB . PRO V 161 ? 0.7463 0.5660 0.5850 -0.0458 -0.0320 -0.0143 171 PRO d CB +38161 C CG . PRO V 161 ? 0.6479 0.4759 0.4939 -0.0473 -0.0328 -0.0142 171 PRO d CG +38162 C CD . PRO V 161 ? 0.7324 0.5605 0.5814 -0.0514 -0.0321 -0.0148 171 PRO d CD +38163 N N . SER V 162 ? 0.7783 0.5791 0.6050 -0.0500 -0.0309 -0.0169 172 SER d N +38164 C CA . SER V 162 ? 0.8425 0.6373 0.6645 -0.0517 -0.0320 -0.0191 172 SER d CA +38165 C C . SER V 162 ? 0.8053 0.6006 0.6248 -0.0489 -0.0337 -0.0198 172 SER d C +38166 O O . SER V 162 ? 0.8125 0.6095 0.6312 -0.0449 -0.0333 -0.0183 172 SER d O +38167 C CB . SER V 162 ? 0.7552 0.5406 0.5706 -0.0514 -0.0304 -0.0188 172 SER d CB +38168 O OG . SER V 162 ? 0.8336 0.6177 0.6509 -0.0548 -0.0289 -0.0186 172 SER d OG +38169 N N . PHE V 163 ? 0.7937 0.5875 0.6119 -0.0510 -0.0357 -0.0221 173 PHE d N +38170 C CA . PHE V 163 ? 0.8076 0.6021 0.6235 -0.0487 -0.0376 -0.0230 173 PHE d CA +38171 C C . PHE V 163 ? 0.8502 0.6365 0.6580 -0.0458 -0.0369 -0.0230 173 PHE d C +38172 O O . PHE V 163 ? 0.8530 0.6331 0.6561 -0.0472 -0.0377 -0.0249 173 PHE d O +38173 C CB . PHE V 163 ? 0.7189 0.5150 0.5365 -0.0520 -0.0401 -0.0256 173 PHE d CB +38174 C CG . PHE V 163 ? 0.8110 0.6157 0.6366 -0.0542 -0.0411 -0.0257 173 PHE d CG +38175 C CD1 . PHE V 163 ? 0.7311 0.5429 0.5602 -0.0519 -0.0422 -0.0250 173 PHE d CD1 +38176 C CD2 . PHE V 163 ? 0.7012 0.5070 0.5308 -0.0586 -0.0408 -0.0266 173 PHE d CD2 +38177 C CE1 . PHE V 163 ? 0.7116 0.5313 0.5481 -0.0538 -0.0431 -0.0251 173 PHE d CE1 +38178 C CE2 . PHE V 163 ? 0.7394 0.5534 0.5766 -0.0605 -0.0416 -0.0268 173 PHE d CE2 +38179 C CZ . PHE V 163 ? 0.7668 0.5877 0.6073 -0.0580 -0.0429 -0.0261 173 PHE d CZ +38180 N N . GLY V 164 ? 0.8269 0.6133 0.6331 -0.0418 -0.0354 -0.0210 174 GLY d N +38181 C CA . GLY V 164 ? 0.7641 0.5437 0.5630 -0.0386 -0.0347 -0.0210 174 GLY d CA +38182 C C . GLY V 164 ? 0.8036 0.5861 0.6027 -0.0341 -0.0334 -0.0188 174 GLY d C +38183 O O . GLY V 164 ? 0.7857 0.5746 0.5902 -0.0336 -0.0328 -0.0172 174 GLY d O +38184 N N . VAL V 165 ? 0.8067 0.5846 0.5999 -0.0307 -0.0331 -0.0189 175 VAL d N +38185 C CA . VAL V 165 ? 0.7340 0.5148 0.5272 -0.0263 -0.0319 -0.0171 175 VAL d CA +38186 C C . VAL V 165 ? 0.8636 0.6442 0.6580 -0.0251 -0.0298 -0.0151 175 VAL d C +38187 O O . VAL V 165 ? 0.8500 0.6371 0.6497 -0.0244 -0.0291 -0.0135 175 VAL d O +38188 C CB . VAL V 165 ? 0.7525 0.5284 0.5390 -0.0231 -0.0319 -0.0178 175 VAL d CB +38189 C CG1 . VAL V 165 ? 0.7661 0.5438 0.5522 -0.0186 -0.0302 -0.0159 175 VAL d CG1 +38190 C CG2 . VAL V 165 ? 0.7709 0.5494 0.5574 -0.0235 -0.0340 -0.0192 175 VAL d CG2 +38191 N N . ALA V 166 ? 0.7769 0.5498 0.5662 -0.0248 -0.0288 -0.0153 176 ALA d N +38192 C CA . ALA V 166 ? 0.7517 0.5237 0.5415 -0.0235 -0.0269 -0.0136 176 ALA d CA +38193 C C . ALA V 166 ? 0.7832 0.5586 0.5784 -0.0270 -0.0267 -0.0130 176 ALA d C +38194 O O . ALA V 166 ? 0.7963 0.5746 0.5943 -0.0259 -0.0254 -0.0112 176 ALA d O +38195 C CB . ALA V 166 ? 0.7879 0.5502 0.5704 -0.0225 -0.0260 -0.0141 176 ALA d CB +38196 N N . ALA V 167 ? 0.7664 0.5419 0.5634 -0.0313 -0.0279 -0.0145 177 ALA d N +38197 C CA . ALA V 167 ? 0.7399 0.5190 0.5423 -0.0347 -0.0276 -0.0141 177 ALA d CA +38198 C C . ALA V 167 ? 0.8747 0.6632 0.6839 -0.0340 -0.0277 -0.0127 177 ALA d C +38199 O O . ALA V 167 ? 0.8312 0.6227 0.6443 -0.0349 -0.0267 -0.0115 177 ALA d O +38200 C CB . ALA V 167 ? 0.7787 0.5566 0.5818 -0.0393 -0.0290 -0.0162 177 ALA d CB +38201 N N . ILE V 168 ? 0.8180 0.6110 0.6286 -0.0324 -0.0289 -0.0130 178 ILE d N +38202 C CA . ILE V 168 ? 0.7817 0.5833 0.5984 -0.0314 -0.0290 -0.0117 178 ILE d CA +38203 C C . ILE V 168 ? 0.7278 0.5305 0.5443 -0.0277 -0.0274 -0.0096 178 ILE d C +38204 O O . ILE V 168 ? 0.7488 0.5569 0.5702 -0.0277 -0.0267 -0.0082 178 ILE d O +38205 C CB . ILE V 168 ? 0.8937 0.6989 0.7111 -0.0308 -0.0308 -0.0127 178 ILE d CB +38206 C CG1 . ILE V 168 ? 0.8116 0.6186 0.6317 -0.0349 -0.0327 -0.0145 178 ILE d CG1 +38207 C CG2 . ILE V 168 ? 0.7497 0.5621 0.5712 -0.0283 -0.0306 -0.0110 178 ILE d CG2 +38208 C CD1 . ILE V 168 ? 0.8994 0.7144 0.7269 -0.0364 -0.0332 -0.0139 178 ILE d CD1 +38209 N N . PHE V 169 ? 0.7384 0.5362 0.5495 -0.0245 -0.0266 -0.0095 179 PHE d N +38210 C CA . PHE V 169 ? 0.7359 0.5342 0.5466 -0.0211 -0.0250 -0.0076 179 PHE d CA +38211 C C . PHE V 169 ? 0.8404 0.6379 0.6528 -0.0224 -0.0239 -0.0066 179 PHE d C +38212 O O . PHE V 169 ? 0.7844 0.5863 0.6003 -0.0211 -0.0230 -0.0050 179 PHE d O +38213 C CB . PHE V 169 ? 0.7372 0.5292 0.5412 -0.0178 -0.0244 -0.0079 179 PHE d CB +38214 C CG . PHE V 169 ? 0.7571 0.5495 0.5589 -0.0160 -0.0252 -0.0088 179 PHE d CG +38215 C CD1 . PHE V 169 ? 0.7551 0.5543 0.5611 -0.0163 -0.0261 -0.0087 179 PHE d CD1 +38216 C CD2 . PHE V 169 ? 0.7841 0.5700 0.5792 -0.0138 -0.0250 -0.0097 179 PHE d CD2 +38217 C CE1 . PHE V 169 ? 0.7533 0.5526 0.5568 -0.0145 -0.0268 -0.0095 179 PHE d CE1 +38218 C CE2 . PHE V 169 ? 0.7579 0.5440 0.5506 -0.0121 -0.0256 -0.0105 179 PHE d CE2 +38219 C CZ . PHE V 169 ? 0.7272 0.5199 0.5239 -0.0125 -0.0265 -0.0104 179 PHE d CZ +38220 N N . ARG V 170 ? 0.8386 0.6301 0.6481 -0.0251 -0.0238 -0.0075 180 ARG d N +38221 C CA . ARG V 170 ? 0.8720 0.6624 0.6828 -0.0267 -0.0227 -0.0066 180 ARG d CA +38222 C C . ARG V 170 ? 0.7574 0.5557 0.5755 -0.0288 -0.0229 -0.0059 180 ARG d C +38223 O O . ARG V 170 ? 0.7486 0.5491 0.5691 -0.0281 -0.0219 -0.0044 180 ARG d O +38224 C CB . ARG V 170 ? 0.7292 0.5122 0.5362 -0.0299 -0.0227 -0.0080 180 ARG d CB +38225 C CG . ARG V 170 ? 0.7449 0.5268 0.5534 -0.0326 -0.0217 -0.0073 180 ARG d CG +38226 C CD . ARG V 170 ? 0.7867 0.5736 0.6009 -0.0370 -0.0225 -0.0082 180 ARG d CD +38227 N NE . ARG V 170 ? 0.7730 0.5599 0.5893 -0.0394 -0.0212 -0.0074 180 ARG d NE +38228 C CZ . ARG V 170 ? 0.8628 0.6553 0.6850 -0.0425 -0.0214 -0.0076 180 ARG d CZ +38229 N NH1 . ARG V 170 ? 0.8121 0.6108 0.6388 -0.0436 -0.0229 -0.0085 180 ARG d NH1 +38230 N NH2 . ARG V 170 ? 0.7806 0.5725 0.6041 -0.0445 -0.0201 -0.0068 180 ARG d NH2 +38231 N N . PHE V 171 ? 0.7826 0.5850 0.6042 -0.0311 -0.0243 -0.0070 181 PHE d N +38232 C CA . PHE V 171 ? 0.7658 0.5758 0.5943 -0.0331 -0.0246 -0.0066 181 PHE d CA +38233 C C . PHE V 171 ? 0.7848 0.6007 0.6165 -0.0300 -0.0241 -0.0048 181 PHE d C +38234 O O . PHE V 171 ? 0.6849 0.5050 0.5209 -0.0305 -0.0235 -0.0036 181 PHE d O +38235 C CB . PHE V 171 ? 0.7837 0.5967 0.6145 -0.0354 -0.0265 -0.0082 181 PHE d CB +38236 C CG . PHE V 171 ? 0.8125 0.6324 0.6501 -0.0380 -0.0270 -0.0082 181 PHE d CG +38237 C CD1 . PHE V 171 ? 0.7544 0.5735 0.5939 -0.0418 -0.0266 -0.0088 181 PHE d CD1 +38238 C CD2 . PHE V 171 ? 0.6925 0.5194 0.5344 -0.0369 -0.0279 -0.0078 181 PHE d CD2 +38239 C CE1 . PHE V 171 ? 0.7802 0.6058 0.6261 -0.0441 -0.0271 -0.0090 181 PHE d CE1 +38240 C CE2 . PHE V 171 ? 0.7403 0.5733 0.5882 -0.0391 -0.0285 -0.0079 181 PHE d CE2 +38241 C CZ . PHE V 171 ? 0.7701 0.6027 0.6202 -0.0428 -0.0281 -0.0085 181 PHE d CZ +38242 N N . LEU V 172 ? 0.7464 0.5628 0.5761 -0.0267 -0.0244 -0.0046 182 LEU d N +38243 C CA . LEU V 172 ? 0.7364 0.5577 0.5686 -0.0237 -0.0237 -0.0030 182 LEU d CA +38244 C C . LEU V 172 ? 0.7990 0.6191 0.6310 -0.0223 -0.0222 -0.0015 182 LEU d C +38245 O O . LEU V 172 ? 0.6931 0.5184 0.5295 -0.0220 -0.0218 -0.0002 182 LEU d O +38246 C CB . LEU V 172 ? 0.7240 0.5443 0.5528 -0.0203 -0.0238 -0.0031 182 LEU d CB +38247 C CG . LEU V 172 ? 0.7779 0.5986 0.6057 -0.0210 -0.0254 -0.0046 182 LEU d CG +38248 C CD1 . LEU V 172 ? 0.7284 0.5481 0.5527 -0.0173 -0.0250 -0.0045 182 LEU d CD1 +38249 C CD2 . LEU V 172 ? 0.6461 0.4740 0.4798 -0.0226 -0.0264 -0.0045 182 LEU d CD2 +38250 N N A LEU V 173 ? 0.6974 0.5105 0.5242 -0.0215 -0.0215 -0.0017 183 LEU d N +38251 N N B LEU V 173 ? 0.6975 0.5105 0.5241 -0.0214 -0.0215 -0.0017 183 LEU d N +38252 C CA A LEU V 173 ? 0.7143 0.5257 0.5400 -0.0195 -0.0202 -0.0003 183 LEU d CA +38253 C CA B LEU V 173 ? 0.7144 0.5257 0.5400 -0.0195 -0.0202 -0.0003 183 LEU d CA +38254 C C A LEU V 173 ? 0.7700 0.5817 0.5981 -0.0223 -0.0197 0.0002 183 LEU d C +38255 C C B LEU V 173 ? 0.7718 0.5835 0.5999 -0.0223 -0.0197 0.0002 183 LEU d C +38256 O O A LEU V 173 ? 0.7094 0.5234 0.5395 -0.0211 -0.0190 0.0016 183 LEU d O +38257 O O B LEU V 173 ? 0.7105 0.5243 0.5404 -0.0211 -0.0190 0.0016 183 LEU d O +38258 C CB A LEU V 173 ? 0.7178 0.5213 0.5366 -0.0174 -0.0197 -0.0007 183 LEU d CB +38259 C CB B LEU V 173 ? 0.7174 0.5209 0.5362 -0.0173 -0.0197 -0.0007 183 LEU d CB +38260 C CG A LEU V 173 ? 0.7237 0.5266 0.5397 -0.0141 -0.0199 -0.0011 183 LEU d CG +38261 C CG B LEU V 173 ? 0.7248 0.5278 0.5408 -0.0142 -0.0199 -0.0011 183 LEU d CG +38262 C CD1 A LEU V 173 ? 0.7103 0.5053 0.5194 -0.0117 -0.0193 -0.0014 183 LEU d CD1 +38263 C CD1 B LEU V 173 ? 0.7099 0.5048 0.5190 -0.0118 -0.0193 -0.0015 183 LEU d CD1 +38264 C CD2 A LEU V 173 ? 0.6500 0.4600 0.4699 -0.0113 -0.0196 0.0001 183 LEU d CD2 +38265 C CD2 B LEU V 173 ? 0.6498 0.4597 0.4696 -0.0113 -0.0196 0.0001 183 LEU d CD2 +38266 N N . PHE V 174 ? 0.7787 0.5884 0.6069 -0.0261 -0.0202 -0.0010 184 PHE d N +38267 C CA . PHE V 174 ? 0.7812 0.5921 0.6124 -0.0292 -0.0197 -0.0006 184 PHE d CA +38268 C C . PHE V 174 ? 0.7777 0.5971 0.6155 -0.0292 -0.0198 0.0003 184 PHE d C +38269 O O . PHE V 174 ? 0.7596 0.5806 0.5994 -0.0293 -0.0190 0.0015 184 PHE d O +38270 C CB . PHE V 174 ? 0.7786 0.5871 0.6096 -0.0333 -0.0203 -0.0023 184 PHE d CB +38271 C CG . PHE V 174 ? 0.8400 0.6490 0.6737 -0.0368 -0.0194 -0.0022 184 PHE d CG +38272 C CD1 . PHE V 174 ? 0.7816 0.5979 0.6218 -0.0387 -0.0198 -0.0021 184 PHE d CD1 +38273 C CD2 . PHE V 174 ? 0.7769 0.5788 0.6063 -0.0381 -0.0183 -0.0021 184 PHE d CD2 +38274 C CE1 . PHE V 174 ? 0.7761 0.5928 0.6186 -0.0419 -0.0189 -0.0020 184 PHE d CE1 +38275 C CE2 . PHE V 174 ? 0.7973 0.5994 0.6289 -0.0414 -0.0173 -0.0019 184 PHE d CE2 +38276 C CZ . PHE V 174 ? 0.8482 0.6578 0.6864 -0.0432 -0.0176 -0.0019 184 PHE d CZ +38277 N N . PHE V 175 ? 0.7439 0.5684 0.5847 -0.0290 -0.0210 -0.0002 185 PHE d N +38278 C CA . PHE V 175 ? 0.7274 0.5597 0.5744 -0.0292 -0.0212 0.0006 185 PHE d CA +38279 C C . PHE V 175 ? 0.7056 0.5406 0.5536 -0.0259 -0.0204 0.0023 185 PHE d C +38280 O O . PHE V 175 ? 0.6718 0.5115 0.5241 -0.0263 -0.0201 0.0033 185 PHE d O +38281 C CB . PHE V 175 ? 0.6522 0.4888 0.5016 -0.0296 -0.0226 -0.0003 185 PHE d CB +38282 C CG . PHE V 175 ? 0.7041 0.5423 0.5564 -0.0334 -0.0235 -0.0016 185 PHE d CG +38283 C CD1 . PHE V 175 ? 0.6684 0.5014 0.5182 -0.0361 -0.0235 -0.0028 185 PHE d CD1 +38284 C CD2 . PHE V 175 ? 0.6414 0.4864 0.4991 -0.0343 -0.0245 -0.0017 185 PHE d CD2 +38285 C CE1 . PHE V 175 ? 0.6918 0.5267 0.5446 -0.0397 -0.0243 -0.0041 185 PHE d CE1 +38286 C CE2 . PHE V 175 ? 0.7639 0.6108 0.6246 -0.0377 -0.0254 -0.0030 185 PHE d CE2 +38287 C CZ . PHE V 175 ? 0.7189 0.5610 0.5774 -0.0404 -0.0252 -0.0043 185 PHE d CZ +38288 N N A GLN V 176 ? 0.6599 0.4921 0.5041 -0.0227 -0.0201 0.0026 186 GLN d N +38289 N N B GLN V 176 ? 0.6596 0.4917 0.5037 -0.0227 -0.0201 0.0027 186 GLN d N +38290 C CA A GLN V 176 ? 0.7006 0.5348 0.5455 -0.0197 -0.0193 0.0041 186 GLN d CA +38291 C CA B GLN V 176 ? 0.7013 0.5356 0.5462 -0.0197 -0.0193 0.0041 186 GLN d CA +38292 C C A GLN V 176 ? 0.6886 0.5202 0.5327 -0.0201 -0.0183 0.0050 186 GLN d C +38293 C C B GLN V 176 ? 0.6888 0.5204 0.5329 -0.0201 -0.0183 0.0050 186 GLN d C +38294 O O A GLN V 176 ? 0.7093 0.5450 0.5570 -0.0201 -0.0180 0.0060 186 GLN d O +38295 O O B GLN V 176 ? 0.7100 0.5459 0.5578 -0.0200 -0.0180 0.0061 186 GLN d O +38296 C CB A GLN V 176 ? 0.6809 0.5124 0.5218 -0.0161 -0.0190 0.0041 186 GLN d CB +38297 C CB B GLN V 176 ? 0.6814 0.5129 0.5223 -0.0161 -0.0190 0.0042 186 GLN d CB +38298 C CG A GLN V 176 ? 0.7017 0.5356 0.5436 -0.0129 -0.0182 0.0056 186 GLN d CG +38299 C CG B GLN V 176 ? 0.7020 0.5360 0.5439 -0.0129 -0.0182 0.0056 186 GLN d CG +38300 C CD A GLN V 176 ? 0.6865 0.5282 0.5344 -0.0129 -0.0183 0.0065 186 GLN d CD +38301 C CD B GLN V 176 ? 0.6865 0.5283 0.5345 -0.0131 -0.0184 0.0065 186 GLN d CD +38302 O OE1 A GLN V 176 ? 0.7049 0.5505 0.5552 -0.0136 -0.0189 0.0061 186 GLN d OE1 +38303 O OE1 B GLN V 176 ? 0.7057 0.5513 0.5559 -0.0134 -0.0189 0.0061 186 GLN d OE1 +38304 N NE2 A GLN V 176 ? 0.6873 0.5312 0.5373 -0.0123 -0.0178 0.0076 186 GLN d NE2 +38305 N NE2 B GLN V 176 ? 0.6845 0.5286 0.5349 -0.0128 -0.0179 0.0076 186 GLN d NE2 +38306 N N A GLY V 177 ? 0.6988 0.5231 0.5379 -0.0208 -0.0179 0.0044 187 GLY d N +38307 N N B GLY V 177 ? 0.6987 0.5231 0.5378 -0.0206 -0.0179 0.0045 187 GLY d N +38308 C CA A GLY V 177 ? 0.6496 0.4704 0.4867 -0.0206 -0.0170 0.0053 187 GLY d CA +38309 C CA B GLY V 177 ? 0.6481 0.4691 0.4853 -0.0205 -0.0170 0.0054 187 GLY d CA +38310 C C A GLY V 177 ? 0.7426 0.5653 0.5831 -0.0239 -0.0166 0.0056 187 GLY d C +38311 C C B GLY V 177 ? 0.7437 0.5667 0.5844 -0.0239 -0.0166 0.0056 187 GLY d C +38312 O O A GLY V 177 ? 0.7071 0.5309 0.5486 -0.0233 -0.0160 0.0067 187 GLY d O +38313 O O B GLY V 177 ? 0.7082 0.5324 0.5501 -0.0233 -0.0160 0.0067 187 GLY d O +38314 N N . PHE V 178 ? 0.6877 0.5112 0.5300 -0.0273 -0.0171 0.0044 188 PHE d N +38315 C CA . PHE V 178 ? 0.7325 0.5577 0.5779 -0.0306 -0.0166 0.0045 188 PHE d CA +38316 C C . PHE V 178 ? 0.7453 0.5789 0.5974 -0.0313 -0.0171 0.0048 188 PHE d C +38317 O O . PHE V 178 ? 0.7377 0.5738 0.5926 -0.0325 -0.0165 0.0055 188 PHE d O +38318 C CB . PHE V 178 ? 0.6729 0.4943 0.5169 -0.0344 -0.0166 0.0030 188 PHE d CB +38319 C CG . PHE V 178 ? 0.7598 0.5723 0.5973 -0.0345 -0.0158 0.0029 188 PHE d CG +38320 C CD1 . PHE V 178 ? 0.7006 0.5079 0.5330 -0.0325 -0.0161 0.0023 188 PHE d CD1 +38321 C CD2 . PHE V 178 ? 0.7739 0.5830 0.6101 -0.0365 -0.0145 0.0034 188 PHE d CD2 +38322 C CE1 . PHE V 178 ? 0.7356 0.5343 0.5617 -0.0325 -0.0153 0.0022 188 PHE d CE1 +38323 C CE2 . PHE V 178 ? 0.7577 0.5580 0.5875 -0.0365 -0.0136 0.0033 188 PHE d CE2 +38324 C CZ . PHE V 178 ? 0.7371 0.5322 0.5618 -0.0345 -0.0141 0.0027 188 PHE d CZ +38325 N N . HIS V 179 ? 0.6857 0.5234 0.5399 -0.0303 -0.0182 0.0043 189 HIS d N +38326 C CA . HIS V 179 ? 0.7604 0.6055 0.6206 -0.0311 -0.0187 0.0045 189 HIS d CA +38327 C C . HIS V 179 ? 0.7998 0.6495 0.6620 -0.0280 -0.0189 0.0057 189 HIS d C +38328 O O . HIS V 179 ? 0.6463 0.5019 0.5132 -0.0284 -0.0192 0.0060 189 HIS d O +38329 C CB . HIS V 179 ? 0.6940 0.5410 0.5557 -0.0329 -0.0200 0.0030 189 HIS d CB +38330 C CG . HIS V 179 ? 0.7425 0.5872 0.6042 -0.0366 -0.0201 0.0018 189 HIS d CG +38331 N ND1 . HIS V 179 ? 0.6886 0.5347 0.5532 -0.0391 -0.0193 0.0019 189 HIS d ND1 +38332 C CD2 . HIS V 179 ? 0.6203 0.4618 0.4799 -0.0383 -0.0208 0.0002 189 HIS d CD2 +38333 C CE1 . HIS V 179 ? 0.6889 0.5330 0.5533 -0.0423 -0.0194 0.0005 189 HIS d CE1 +38334 N NE2 . HIS V 179 ? 0.7321 0.5732 0.5934 -0.0420 -0.0204 -0.0006 189 HIS d NE2 +38335 N N A ASN V 180 ? 0.6449 0.4921 0.5037 -0.0249 -0.0186 0.0062 190 ASN d N +38336 N N B ASN V 180 ? 0.6434 0.4906 0.5022 -0.0249 -0.0186 0.0062 190 ASN d N +38337 C CA A ASN V 180 ? 0.6771 0.5286 0.5378 -0.0219 -0.0187 0.0071 190 ASN d CA +38338 C CA B ASN V 180 ? 0.6771 0.5286 0.5378 -0.0219 -0.0187 0.0071 190 ASN d CA +38339 C C A ASN V 180 ? 0.7031 0.5595 0.5669 -0.0223 -0.0196 0.0067 190 ASN d C +38340 C C B ASN V 180 ? 0.7034 0.5598 0.5672 -0.0223 -0.0196 0.0066 190 ASN d C +38341 O O A ASN V 180 ? 0.7181 0.5799 0.5858 -0.0216 -0.0197 0.0074 190 ASN d O +38342 O O B ASN V 180 ? 0.7201 0.5820 0.5879 -0.0218 -0.0197 0.0074 190 ASN d O +38343 C CB A ASN V 180 ? 0.5979 0.4527 0.4614 -0.0212 -0.0180 0.0085 190 ASN d CB +38344 C CB B ASN V 180 ? 0.5950 0.4498 0.4586 -0.0214 -0.0180 0.0084 190 ASN d CB +38345 C CG A ASN V 180 ? 0.7636 0.6204 0.6271 -0.0177 -0.0178 0.0094 190 ASN d CG +38346 C CG B ASN V 180 ? 0.7665 0.6234 0.6302 -0.0179 -0.0178 0.0094 190 ASN d CG +38347 O OD1 A ASN V 180 ? 0.7571 0.6123 0.6181 -0.0156 -0.0179 0.0091 190 ASN d OD1 +38348 O OD1 B ASN V 180 ? 0.7609 0.6166 0.6223 -0.0158 -0.0179 0.0092 190 ASN d OD1 +38349 N ND2 A ASN V 180 ? 0.7069 0.5673 0.5734 -0.0170 -0.0175 0.0104 190 ASN d ND2 +38350 N ND2 B ASN V 180 ? 0.7070 0.5669 0.5733 -0.0173 -0.0174 0.0105 190 ASN d ND2 +38351 N N . TRP V 181 ? 0.7200 0.5740 0.5818 -0.0233 -0.0203 0.0054 191 TRP d N +38352 C CA . TRP V 181 ? 0.6802 0.5382 0.5446 -0.0242 -0.0215 0.0047 191 TRP d CA +38353 C C . TRP V 181 ? 0.6295 0.4910 0.4947 -0.0215 -0.0215 0.0054 191 TRP d C +38354 O O . TRP V 181 ? 0.6761 0.5421 0.5446 -0.0219 -0.0222 0.0054 191 TRP d O +38355 C CB . TRP V 181 ? 0.6950 0.5489 0.5563 -0.0257 -0.0223 0.0031 191 TRP d CB +38356 C CG . TRP V 181 ? 0.6637 0.5205 0.5265 -0.0265 -0.0238 0.0020 191 TRP d CG +38357 C CD1 . TRP V 181 ? 0.6998 0.5538 0.5590 -0.0257 -0.0246 0.0010 191 TRP d CD1 +38358 C CD2 . TRP V 181 ? 0.6763 0.5385 0.5439 -0.0281 -0.0247 0.0018 191 TRP d CD2 +38359 N NE1 . TRP V 181 ? 0.6511 0.5086 0.5126 -0.0268 -0.0260 0.0002 191 TRP d NE1 +38360 C CE2 . TRP V 181 ? 0.7101 0.5726 0.5768 -0.0282 -0.0261 0.0007 191 TRP d CE2 +38361 C CE3 . TRP V 181 ? 0.6896 0.5565 0.5622 -0.0294 -0.0245 0.0025 191 TRP d CE3 +38362 C CZ2 . TRP V 181 ? 0.6803 0.5477 0.5509 -0.0293 -0.0273 0.0003 191 TRP d CZ2 +38363 C CZ3 . TRP V 181 ? 0.6478 0.5193 0.5242 -0.0306 -0.0256 0.0020 191 TRP d CZ3 +38364 C CH2 . TRP V 181 ? 0.6484 0.5202 0.5238 -0.0305 -0.0271 0.0009 191 TRP d CH2 +38365 N N A THR V 182 ? 0.6318 0.4913 0.4942 -0.0186 -0.0208 0.0060 192 THR d N +38366 N N B THR V 182 ? 0.6303 0.4899 0.4928 -0.0186 -0.0208 0.0060 192 THR d N +38367 C CA A THR V 182 ? 0.6692 0.5323 0.5327 -0.0162 -0.0206 0.0067 192 THR d CA +38368 C CA B THR V 182 ? 0.6688 0.5321 0.5325 -0.0162 -0.0206 0.0067 192 THR d CA +38369 C C A THR V 182 ? 0.7240 0.5929 0.5926 -0.0162 -0.0203 0.0078 192 THR d C +38370 C C B THR V 182 ? 0.7256 0.5946 0.5942 -0.0162 -0.0203 0.0078 192 THR d C +38371 O O A THR V 182 ? 0.6938 0.5665 0.5642 -0.0151 -0.0204 0.0083 192 THR d O +38372 O O B THR V 182 ? 0.6943 0.5671 0.5649 -0.0152 -0.0204 0.0083 192 THR d O +38373 C CB A THR V 182 ? 0.7303 0.5907 0.5903 -0.0131 -0.0197 0.0070 192 THR d CB +38374 C CB B THR V 182 ? 0.7323 0.5929 0.5925 -0.0131 -0.0197 0.0070 192 THR d CB +38375 O OG1 A THR V 182 ? 0.6897 0.5478 0.5489 -0.0126 -0.0190 0.0076 192 THR d OG1 +38376 O OG1 B THR V 182 ? 0.6893 0.5475 0.5485 -0.0127 -0.0190 0.0076 192 THR d OG1 +38377 C CG2 A THR V 182 ? 0.7164 0.5717 0.5714 -0.0125 -0.0200 0.0059 192 THR d CG2 +38378 C CG2 B THR V 182 ? 0.7165 0.5721 0.5717 -0.0126 -0.0201 0.0058 192 THR d CG2 +38379 N N . LEU V 183 ? 0.7080 0.5774 0.5785 -0.0174 -0.0200 0.0083 193 LEU d N +38380 C CA . LEU V 183 ? 0.6905 0.5649 0.5655 -0.0176 -0.0197 0.0093 193 LEU d CA +38381 C C . LEU V 183 ? 0.7180 0.5961 0.5967 -0.0198 -0.0206 0.0090 193 LEU d C +38382 O O . LEU V 183 ? 0.6464 0.5289 0.5289 -0.0200 -0.0205 0.0097 193 LEU d O +38383 C CB . LEU V 183 ? 0.6085 0.4816 0.4836 -0.0178 -0.0191 0.0099 193 LEU d CB +38384 C CG . LEU V 183 ? 0.7217 0.5991 0.6001 -0.0167 -0.0186 0.0111 193 LEU d CG +38385 C CD1 . LEU V 183 ? 0.7321 0.6096 0.6091 -0.0136 -0.0181 0.0117 193 LEU d CD1 +38386 C CD2 . LEU V 183 ? 0.6433 0.5196 0.5222 -0.0177 -0.0182 0.0116 193 LEU d CD2 +38387 N N . ASN V 184 ? 0.6845 0.5611 0.5622 -0.0215 -0.0214 0.0078 194 ASN d N +38388 C CA . ASN V 184 ? 0.7049 0.5847 0.5861 -0.0237 -0.0223 0.0073 194 ASN d CA +38389 C C . ASN V 184 ? 0.6625 0.5462 0.5455 -0.0228 -0.0230 0.0075 194 ASN d C +38390 O O . ASN V 184 ? 0.7133 0.5954 0.5935 -0.0216 -0.0233 0.0071 194 ASN d O +38391 C CB . ASN V 184 ? 0.6120 0.4887 0.4917 -0.0260 -0.0230 0.0059 194 ASN d CB +38392 C CG . ASN V 184 ? 0.6559 0.5358 0.5396 -0.0286 -0.0236 0.0053 194 ASN d CG +38393 O OD1 . ASN V 184 ? 0.7038 0.5876 0.5901 -0.0286 -0.0245 0.0052 194 ASN d OD1 +38394 N ND2 . ASN V 184 ? 0.6800 0.5583 0.5641 -0.0307 -0.0231 0.0050 194 ASN d ND2 +38395 N N . PRO V 185 ? 0.7602 0.6484 0.6472 -0.0231 -0.0231 0.0081 195 PRO d N +38396 C CA . PRO V 185 ? 0.6778 0.5691 0.5660 -0.0220 -0.0236 0.0084 195 PRO d CA +38397 C C . PRO V 185 ? 0.7360 0.6270 0.6233 -0.0229 -0.0250 0.0073 195 PRO d C +38398 O O . PRO V 185 ? 0.6377 0.5292 0.5237 -0.0215 -0.0254 0.0073 195 PRO d O +38399 C CB . PRO V 185 ? 0.6453 0.5411 0.5380 -0.0226 -0.0234 0.0093 195 PRO d CB +38400 C CG . PRO V 185 ? 0.6110 0.5063 0.5051 -0.0245 -0.0231 0.0090 195 PRO d CG +38401 C CD . PRO V 185 ? 0.6103 0.5008 0.5007 -0.0242 -0.0225 0.0087 195 PRO d CD +38402 N N . PHE V 186 ? 0.6314 0.5214 0.5192 -0.0251 -0.0258 0.0061 196 PHE d N +38403 C CA . PHE V 186 ? 0.6718 0.5612 0.5586 -0.0260 -0.0273 0.0048 196 PHE d CA +38404 C C . PHE V 186 ? 0.6865 0.5715 0.5683 -0.0248 -0.0275 0.0041 196 PHE d C +38405 O O . PHE V 186 ? 0.7186 0.6033 0.5987 -0.0243 -0.0286 0.0035 196 PHE d O +38406 C CB . PHE V 186 ? 0.6438 0.5336 0.5328 -0.0288 -0.0280 0.0036 196 PHE d CB +38407 C CG . PHE V 186 ? 0.6950 0.5895 0.5889 -0.0297 -0.0282 0.0040 196 PHE d CG +38408 C CD1 . PHE V 186 ? 0.6994 0.5973 0.5953 -0.0295 -0.0295 0.0037 196 PHE d CD1 +38409 C CD2 . PHE V 186 ? 0.6773 0.5727 0.5736 -0.0307 -0.0270 0.0046 196 PHE d CD2 +38410 C CE1 . PHE V 186 ? 0.7562 0.6584 0.6565 -0.0301 -0.0296 0.0040 196 PHE d CE1 +38411 C CE2 . PHE V 186 ? 0.7695 0.6692 0.6702 -0.0314 -0.0271 0.0049 196 PHE d CE2 +38412 C CZ . PHE V 186 ? 0.7948 0.6980 0.6976 -0.0311 -0.0284 0.0046 196 PHE d CZ +38413 N N . HIS V 187 ? 0.6372 0.5185 0.5162 -0.0242 -0.0263 0.0043 197 HIS d N +38414 C CA . HIS V 187 ? 0.5992 0.4763 0.4733 -0.0227 -0.0263 0.0039 197 HIS d CA +38415 C C . HIS V 187 ? 0.7116 0.5901 0.5847 -0.0200 -0.0257 0.0049 197 HIS d C +38416 O O . HIS V 187 ? 0.7079 0.5847 0.5778 -0.0189 -0.0262 0.0043 197 HIS d O +38417 C CB . HIS V 187 ? 0.5451 0.4175 0.4163 -0.0226 -0.0252 0.0038 197 HIS d CB +38418 C CG . HIS V 187 ? 0.7670 0.6346 0.6328 -0.0212 -0.0252 0.0031 197 HIS d CG +38419 N ND1 . HIS V 187 ? 0.6688 0.5347 0.5320 -0.0185 -0.0241 0.0039 197 HIS d ND1 +38420 C CD2 . HIS V 187 ? 0.6423 0.5066 0.5049 -0.0220 -0.0263 0.0017 197 HIS d CD2 +38421 C CE1 . HIS V 187 ? 0.6728 0.5345 0.5313 -0.0176 -0.0243 0.0030 197 HIS d CE1 +38422 N NE2 . HIS V 187 ? 0.7194 0.5798 0.5773 -0.0197 -0.0257 0.0016 197 HIS d NE2 +38423 N N . MET V 188 ? 0.6811 0.5627 0.5569 -0.0191 -0.0246 0.0062 198 MET d N +38424 C CA . MET V 188 ? 0.6408 0.5241 0.5161 -0.0167 -0.0239 0.0072 198 MET d CA +38425 C C . MET V 188 ? 0.6240 0.5092 0.4995 -0.0167 -0.0249 0.0070 198 MET d C +38426 O O . MET V 188 ? 0.6567 0.5410 0.5294 -0.0150 -0.0247 0.0071 198 MET d O +38427 C CB . MET V 188 ? 0.5552 0.4419 0.4339 -0.0162 -0.0228 0.0086 198 MET d CB +38428 C CG . MET V 188 ? 0.6704 0.5551 0.5485 -0.0157 -0.0217 0.0089 198 MET d CG +38429 S SD . MET V 188 ? 0.6658 0.5545 0.5484 -0.0158 -0.0209 0.0103 198 MET d SD +38430 C CE . MET V 188 ? 0.5930 0.4784 0.4732 -0.0142 -0.0198 0.0106 198 MET d CE +38431 N N . MET V 189 ? 0.6252 0.5131 0.5039 -0.0185 -0.0261 0.0067 199 MET d N +38432 C CA . MET V 189 ? 0.6221 0.5117 0.5009 -0.0184 -0.0273 0.0064 199 MET d CA +38433 C C . MET V 189 ? 0.6511 0.5372 0.5257 -0.0183 -0.0285 0.0050 199 MET d C +38434 O O . MET V 189 ? 0.7183 0.6041 0.5906 -0.0171 -0.0290 0.0050 199 MET d O +38435 C CB . MET V 189 ? 0.6066 0.4996 0.4897 -0.0202 -0.0284 0.0062 199 MET d CB +38436 C CG . MET V 189 ? 0.6728 0.5694 0.5597 -0.0200 -0.0273 0.0076 199 MET d CG +38437 S SD . MET V 189 ? 0.7121 0.6129 0.6036 -0.0215 -0.0287 0.0074 199 MET d SD +38438 C CE . MET V 189 ? 0.6786 0.5790 0.5723 -0.0240 -0.0289 0.0064 199 MET d CE +38439 N N . GLY V 190 ? 0.6719 0.5551 0.5453 -0.0197 -0.0290 0.0038 200 GLY d N +38440 C CA . GLY V 190 ? 0.6521 0.5315 0.5212 -0.0197 -0.0301 0.0025 200 GLY d CA +38441 C C . GLY V 190 ? 0.6932 0.5695 0.5577 -0.0173 -0.0290 0.0028 200 GLY d C +38442 O O . GLY V 190 ? 0.6861 0.5605 0.5471 -0.0163 -0.0297 0.0022 200 GLY d O +38443 N N . VAL V 191 ? 0.6824 0.5580 0.5468 -0.0161 -0.0272 0.0038 201 VAL d N +38444 C CA . VAL V 191 ? 0.7113 0.5845 0.5717 -0.0136 -0.0259 0.0042 201 VAL d CA +38445 C C . VAL V 191 ? 0.7033 0.5789 0.5636 -0.0120 -0.0257 0.0050 201 VAL d C +38446 O O . VAL V 191 ? 0.7393 0.6127 0.5955 -0.0106 -0.0256 0.0046 201 VAL d O +38447 C CB . VAL V 191 ? 0.6706 0.5435 0.5317 -0.0125 -0.0242 0.0051 201 VAL d CB +38448 C CG1 . VAL V 191 ? 0.6651 0.5366 0.5229 -0.0097 -0.0227 0.0056 201 VAL d CG1 +38449 C CG2 . VAL V 191 ? 0.6181 0.4873 0.4779 -0.0138 -0.0243 0.0043 201 VAL d CG2 +38450 N N A ALA V 192 ? 0.6435 0.5236 0.5079 -0.0123 -0.0254 0.0061 202 ALA d N +38451 N N B ALA V 192 ? 0.6426 0.5227 0.5071 -0.0124 -0.0255 0.0060 202 ALA d N +38452 C CA A ALA V 192 ? 0.6812 0.5636 0.5457 -0.0111 -0.0251 0.0069 202 ALA d CA +38453 C CA B ALA V 192 ? 0.6818 0.5642 0.5464 -0.0112 -0.0252 0.0069 202 ALA d CA +38454 C C A ALA V 192 ? 0.6848 0.5660 0.5468 -0.0113 -0.0268 0.0060 202 ALA d C +38455 C C B ALA V 192 ? 0.6854 0.5667 0.5474 -0.0114 -0.0269 0.0060 202 ALA d C +38456 O O A ALA V 192 ? 0.6624 0.5427 0.5212 -0.0098 -0.0265 0.0062 202 ALA d O +38457 O O B ALA V 192 ? 0.6617 0.5421 0.5206 -0.0098 -0.0265 0.0062 202 ALA d O +38458 C CB A ALA V 192 ? 0.6656 0.5525 0.5352 -0.0118 -0.0248 0.0081 202 ALA d CB +38459 C CB B ALA V 192 ? 0.6648 0.5518 0.5344 -0.0119 -0.0249 0.0081 202 ALA d CB +38460 N N A GLY V 193 ? 0.6458 0.5271 0.5090 -0.0133 -0.0288 0.0048 203 GLY d N +38461 N N B GLY V 193 ? 0.6456 0.5269 0.5088 -0.0133 -0.0288 0.0048 203 GLY d N +38462 C CA A GLY V 193 ? 0.6937 0.5740 0.5546 -0.0135 -0.0307 0.0038 203 GLY d CA +38463 C CA B GLY V 193 ? 0.6937 0.5740 0.5546 -0.0135 -0.0308 0.0037 203 GLY d CA +38464 C C A GLY V 193 ? 0.7868 0.6625 0.6420 -0.0125 -0.0310 0.0027 203 GLY d C +38465 C C B GLY V 193 ? 0.7908 0.6664 0.6460 -0.0125 -0.0310 0.0027 203 GLY d C +38466 O O A GLY V 193 ? 0.7669 0.6413 0.6187 -0.0113 -0.0317 0.0024 203 GLY d O +38467 O O B GLY V 193 ? 0.7697 0.6441 0.6214 -0.0114 -0.0318 0.0024 203 GLY d O +38468 N N A VAL V 194 ? 0.6913 0.5639 0.5450 -0.0128 -0.0304 0.0021 204 VAL d N +38469 N N B VAL V 194 ? 0.6913 0.5639 0.5450 -0.0128 -0.0304 0.0020 204 VAL d N +38470 C CA A VAL V 194 ? 0.6706 0.5384 0.5187 -0.0119 -0.0306 0.0009 204 VAL d CA +38471 C CA B VAL V 194 ? 0.6694 0.5371 0.5175 -0.0119 -0.0307 0.0009 204 VAL d CA +38472 C C A VAL V 194 ? 0.6968 0.5634 0.5416 -0.0092 -0.0288 0.0019 204 VAL d C +38473 C C B VAL V 194 ? 0.6976 0.5641 0.5424 -0.0092 -0.0288 0.0019 204 VAL d C +38474 O O A VAL V 194 ? 0.7205 0.5847 0.5608 -0.0079 -0.0291 0.0014 204 VAL d O +38475 O O B VAL V 194 ? 0.7228 0.5870 0.5631 -0.0079 -0.0292 0.0014 204 VAL d O +38476 C CB A VAL V 194 ? 0.7376 0.6020 0.5849 -0.0130 -0.0305 0.0000 204 VAL d CB +38477 C CB B VAL V 194 ? 0.7391 0.6035 0.5864 -0.0131 -0.0306 -0.0001 204 VAL d CB +38478 C CG1 A VAL V 194 ? 0.6471 0.5062 0.4883 -0.0115 -0.0301 -0.0009 204 VAL d CG1 +38479 C CG1 B VAL V 194 ? 0.6459 0.5050 0.4871 -0.0117 -0.0303 -0.0010 204 VAL d CG1 +38480 C CG2 A VAL V 194 ? 0.7315 0.5962 0.5809 -0.0159 -0.0325 -0.0014 204 VAL d CG2 +38481 C CG2 B VAL V 194 ? 0.7328 0.5977 0.5824 -0.0159 -0.0326 -0.0014 204 VAL d CG2 +38482 N N A LEU V 195 ? 0.7088 0.5772 0.5557 -0.0082 -0.0267 0.0033 205 LEU d N +38483 N N B LEU V 195 ? 0.7109 0.5792 0.5578 -0.0082 -0.0267 0.0032 205 LEU d N +38484 C CA A LEU V 195 ? 0.6876 0.5555 0.5319 -0.0057 -0.0247 0.0041 205 LEU d CA +38485 C CA B LEU V 195 ? 0.6881 0.5559 0.5325 -0.0057 -0.0248 0.0041 205 LEU d CA +38486 C C A LEU V 195 ? 0.7040 0.5744 0.5485 -0.0049 -0.0246 0.0050 205 LEU d C +38487 C C B LEU V 195 ? 0.7041 0.5744 0.5486 -0.0050 -0.0247 0.0049 205 LEU d C +38488 O O A LEU V 195 ? 0.6808 0.5496 0.5214 -0.0031 -0.0238 0.0052 205 LEU d O +38489 O O B LEU V 195 ? 0.6813 0.5498 0.5217 -0.0032 -0.0239 0.0050 205 LEU d O +38490 C CB A LEU V 195 ? 0.6739 0.5433 0.5208 -0.0048 -0.0227 0.0052 205 LEU d CB +38491 C CB B LEU V 195 ? 0.6735 0.5431 0.5207 -0.0049 -0.0227 0.0053 205 LEU d CB +38492 C CG A LEU V 195 ? 0.7186 0.5851 0.5647 -0.0050 -0.0224 0.0046 205 LEU d CG +38493 C CG B LEU V 195 ? 0.7194 0.5861 0.5658 -0.0050 -0.0224 0.0047 205 LEU d CG +38494 C CD1 A LEU V 195 ? 0.6226 0.4912 0.4713 -0.0038 -0.0205 0.0058 205 LEU d CD1 +38495 C CD1 B LEU V 195 ? 0.6206 0.4896 0.4696 -0.0038 -0.0204 0.0059 205 LEU d CD1 +38496 C CD2 A LEU V 195 ? 0.6525 0.5136 0.4927 -0.0039 -0.0226 0.0033 205 LEU d CD2 +38497 C CD2 B LEU V 195 ? 0.6515 0.5128 0.4919 -0.0038 -0.0224 0.0034 205 LEU d CD2 +38498 N N A GLY V 196 ? 0.6609 0.5350 0.5097 -0.0063 -0.0254 0.0056 206 GLY d N +38499 N N B GLY V 196 ? 0.6614 0.5354 0.5101 -0.0063 -0.0255 0.0055 206 GLY d N +38500 C CA A GLY V 196 ? 0.6422 0.5182 0.4908 -0.0057 -0.0256 0.0064 206 GLY d CA +38501 C CA B GLY V 196 ? 0.6418 0.5177 0.4903 -0.0058 -0.0257 0.0063 206 GLY d CA +38502 C C A GLY V 196 ? 0.6809 0.5541 0.5251 -0.0055 -0.0275 0.0053 206 GLY d C +38503 C C B GLY V 196 ? 0.6813 0.5545 0.5255 -0.0055 -0.0276 0.0052 206 GLY d C +38504 O O A GLY V 196 ? 0.6993 0.5720 0.5405 -0.0041 -0.0271 0.0058 206 GLY d O +38505 O O B GLY V 196 ? 0.6998 0.5725 0.5411 -0.0042 -0.0271 0.0058 206 GLY d O +38506 N N A GLY V 197 ? 0.6704 0.5419 0.5140 -0.0069 -0.0296 0.0037 207 GLY d N +38507 N N B GLY V 197 ? 0.6696 0.5409 0.5130 -0.0069 -0.0296 0.0036 207 GLY d N +38508 C CA A GLY V 197 ? 0.6700 0.5386 0.5092 -0.0067 -0.0315 0.0023 207 GLY d CA +38509 C CA B GLY V 197 ? 0.6692 0.5377 0.5082 -0.0067 -0.0316 0.0023 207 GLY d CA +38510 C C A GLY V 197 ? 0.7268 0.5911 0.5597 -0.0047 -0.0304 0.0020 207 GLY d C +38511 C C B GLY V 197 ? 0.7270 0.5911 0.5598 -0.0047 -0.0306 0.0019 207 GLY d C +38512 O O A GLY V 197 ? 0.7756 0.6383 0.6044 -0.0034 -0.0309 0.0019 207 GLY d O +38513 O O B GLY V 197 ? 0.7788 0.6413 0.6075 -0.0035 -0.0311 0.0017 207 GLY d O +38514 N N A ALA V 198 ? 0.6999 0.5621 0.5320 -0.0043 -0.0290 0.0018 208 ALA d N +38515 N N B ALA V 198 ? 0.7012 0.5633 0.5332 -0.0044 -0.0291 0.0017 208 ALA d N +38516 C CA A ALA V 198 ? 0.7552 0.6133 0.5815 -0.0022 -0.0278 0.0014 208 ALA d CA +38517 C CA B ALA V 198 ? 0.7568 0.6149 0.5832 -0.0023 -0.0279 0.0014 208 ALA d CA +38518 C C A ALA V 198 ? 0.7473 0.6068 0.5725 -0.0001 -0.0255 0.0030 208 ALA d C +38519 C C B ALA V 198 ? 0.7476 0.6071 0.5729 -0.0002 -0.0257 0.0029 208 ALA d C +38520 O O A ALA V 198 ? 0.7268 0.5835 0.5467 0.0016 -0.0251 0.0027 208 ALA d O +38521 O O B ALA V 198 ? 0.7263 0.5830 0.5464 0.0015 -0.0252 0.0027 208 ALA d O +38522 C CB A ALA V 198 ? 0.6624 0.5182 0.4883 -0.0020 -0.0266 0.0010 208 ALA d CB +38523 C CB B ALA V 198 ? 0.6610 0.5169 0.4872 -0.0021 -0.0267 0.0010 208 ALA d CB +38524 N N A LEU V 199 ? 0.7272 0.5909 0.5573 -0.0002 -0.0240 0.0045 209 LEU d N +38525 N N B LEU V 199 ? 0.7283 0.5922 0.5586 -0.0004 -0.0242 0.0045 209 LEU d N +38526 C CA A LEU V 199 ? 0.7432 0.6088 0.5730 0.0013 -0.0219 0.0060 209 LEU d CA +38527 C CA B LEU V 199 ? 0.7444 0.6100 0.5743 0.0011 -0.0221 0.0060 209 LEU d CA +38528 C C A LEU V 199 ? 0.7483 0.6133 0.5753 0.0015 -0.0231 0.0061 209 LEU d C +38529 C C B LEU V 199 ? 0.7487 0.6138 0.5758 0.0014 -0.0232 0.0061 209 LEU d C +38530 O O A LEU V 199 ? 0.7637 0.6270 0.5864 0.0032 -0.0219 0.0065 209 LEU d O +38531 O O B LEU V 199 ? 0.7664 0.6297 0.5892 0.0031 -0.0220 0.0065 209 LEU d O +38532 C CB A LEU V 199 ? 0.7165 0.5869 0.5525 0.0006 -0.0206 0.0075 209 LEU d CB +38533 C CB B LEU V 199 ? 0.7158 0.5862 0.5519 0.0005 -0.0208 0.0075 209 LEU d CB +38534 C CG A LEU V 199 ? 0.7372 0.6100 0.5739 0.0019 -0.0181 0.0091 209 LEU d CG +38535 C CG B LEU V 199 ? 0.7393 0.6121 0.5762 0.0017 -0.0182 0.0091 209 LEU d CG +38536 C CD1 A LEU V 199 ? 0.6269 0.5038 0.4695 0.0013 -0.0166 0.0102 209 LEU d CD1 +38537 C CD1 B LEU V 199 ? 0.6236 0.5005 0.4663 0.0012 -0.0168 0.0101 209 LEU d CD1 +38538 C CD2 A LEU V 199 ? 0.6528 0.5265 0.4887 0.0017 -0.0186 0.0099 209 LEU d CD2 +38539 C CD2 B LEU V 199 ? 0.6518 0.5255 0.4878 0.0016 -0.0188 0.0098 209 LEU d CD2 +38540 N N A LEU V 200 ? 0.7078 0.5745 0.5373 -0.0002 -0.0255 0.0058 210 LEU d N +38541 N N B LEU V 200 ? 0.7083 0.5751 0.5379 -0.0002 -0.0255 0.0059 210 LEU d N +38542 C CA A LEU V 200 ? 0.7428 0.6092 0.5699 0.0001 -0.0269 0.0059 210 LEU d CA +38543 C CA B LEU V 200 ? 0.7426 0.6090 0.5698 0.0001 -0.0269 0.0060 210 LEU d CA +38544 C C A LEU V 200 ? 0.7975 0.6592 0.6179 0.0012 -0.0281 0.0046 210 LEU d C +38545 C C B LEU V 200 ? 0.8001 0.6619 0.6205 0.0012 -0.0280 0.0047 210 LEU d C +38546 O O A LEU V 200 ? 0.7739 0.6339 0.5899 0.0026 -0.0277 0.0051 210 LEU d O +38547 O O B LEU V 200 ? 0.7745 0.6346 0.5905 0.0027 -0.0276 0.0051 210 LEU d O +38548 C CB A LEU V 200 ? 0.7208 0.5898 0.5521 -0.0018 -0.0294 0.0056 210 LEU d CB +38549 C CB B LEU V 200 ? 0.7207 0.5897 0.5519 -0.0017 -0.0295 0.0056 210 LEU d CB +38550 C CG A LEU V 200 ? 0.7513 0.6248 0.5883 -0.0025 -0.0285 0.0071 210 LEU d CG +38551 C CG B LEU V 200 ? 0.7540 0.6275 0.5910 -0.0026 -0.0286 0.0071 210 LEU d CG +38552 C CD1 A LEU V 200 ? 0.6945 0.5705 0.5360 -0.0045 -0.0309 0.0064 210 LEU d CD1 +38553 C CD1 B LEU V 200 ? 0.6969 0.5729 0.5381 -0.0044 -0.0312 0.0064 210 LEU d CD1 +38554 C CD2 A LEU V 200 ? 0.6613 0.5352 0.4966 -0.0013 -0.0273 0.0086 210 LEU d CD2 +38555 C CD2 B LEU V 200 ? 0.6594 0.5333 0.4946 -0.0012 -0.0273 0.0086 210 LEU d CD2 +38556 N N A CYS V 201 ? 0.7103 0.5696 0.5295 0.0005 -0.0295 0.0029 211 CYS d N +38557 N N B CYS V 201 ? 0.7094 0.5687 0.5286 0.0005 -0.0294 0.0030 211 CYS d N +38558 C CA A CYS V 201 ? 0.7250 0.5794 0.5376 0.0014 -0.0307 0.0014 211 CYS d CA +38559 C CA B CYS V 201 ? 0.7237 0.5783 0.5364 0.0015 -0.0306 0.0015 211 CYS d CA +38560 C C A CYS V 201 ? 0.7219 0.5738 0.5296 0.0038 -0.0280 0.0021 211 CYS d C +38561 C C B CYS V 201 ? 0.7217 0.5736 0.5293 0.0038 -0.0279 0.0021 211 CYS d C +38562 O O A CYS V 201 ? 0.7891 0.6385 0.5915 0.0051 -0.0283 0.0020 211 CYS d O +38563 O O B CYS V 201 ? 0.7930 0.6421 0.5951 0.0052 -0.0283 0.0019 211 CYS d O +38564 C CB A CYS V 201 ? 0.7385 0.5907 0.5512 0.0001 -0.0319 -0.0003 211 CYS d CB +38565 C CB B CYS V 201 ? 0.7400 0.5925 0.5529 0.0001 -0.0319 -0.0002 211 CYS d CB +38566 S SG A CYS V 201 ? 0.7745 0.6209 0.5798 0.0006 -0.0340 -0.0025 211 CYS d SG +38567 S SG B CYS V 201 ? 0.7728 0.6193 0.5782 0.0007 -0.0339 -0.0024 211 CYS d SG +38568 N N A ALA V 202 ? 0.7520 0.6045 0.5613 0.0044 -0.0254 0.0028 212 ALA d N +38569 N N B ALA V 202 ? 0.7517 0.6045 0.5612 0.0045 -0.0253 0.0029 212 ALA d N +38570 C CA A ALA V 202 ? 0.7085 0.5590 0.5136 0.0068 -0.0227 0.0033 212 ALA d CA +38571 C CA B ALA V 202 ? 0.7070 0.5577 0.5123 0.0068 -0.0226 0.0034 212 ALA d CA +38572 C C A ALA V 202 ? 0.7739 0.6261 0.5784 0.0077 -0.0211 0.0049 212 ALA d C +38573 C C B ALA V 202 ? 0.7754 0.6278 0.5800 0.0078 -0.0210 0.0050 212 ALA d C +38574 O O A ALA V 202 ? 0.7678 0.6172 0.5666 0.0095 -0.0202 0.0050 212 ALA d O +38575 O O B ALA V 202 ? 0.7693 0.6188 0.5682 0.0095 -0.0200 0.0051 212 ALA d O +38576 C CB A ALA V 202 ? 0.7230 0.5747 0.5310 0.0072 -0.0204 0.0038 212 ALA d CB +38577 C CB B ALA V 202 ? 0.7230 0.5747 0.5310 0.0073 -0.0203 0.0038 212 ALA d CB +38578 N N A ILE V 203 ? 0.7826 0.6393 0.5926 0.0067 -0.0208 0.0063 213 ILE d N +38579 N N B ILE V 203 ? 0.7834 0.6402 0.5936 0.0067 -0.0207 0.0064 213 ILE d N +38580 C CA A ILE V 203 ? 0.7174 0.5757 0.5272 0.0075 -0.0187 0.0080 213 ILE d CA +38581 C CA B ILE V 203 ? 0.7178 0.5763 0.5278 0.0075 -0.0187 0.0080 213 ILE d CA +38582 C C A ILE V 203 ? 0.7725 0.6288 0.5781 0.0078 -0.0205 0.0079 213 ILE d C +38583 C C B ILE V 203 ? 0.7738 0.6301 0.5793 0.0078 -0.0204 0.0080 213 ILE d C +38584 O O A ILE V 203 ? 0.7291 0.5843 0.5310 0.0091 -0.0188 0.0089 213 ILE d O +38585 O O B ILE V 203 ? 0.7284 0.5834 0.5300 0.0092 -0.0187 0.0089 213 ILE d O +38586 C CB A ILE V 203 ? 0.6879 0.5514 0.5049 0.0062 -0.0177 0.0093 213 ILE d CB +38587 C CB B ILE V 203 ? 0.6879 0.5515 0.5049 0.0062 -0.0178 0.0094 213 ILE d CB +38588 C CG1 A ILE V 203 ? 0.7872 0.6524 0.6043 0.0073 -0.0145 0.0110 213 ILE d CG1 +38589 C CG1 B ILE V 203 ? 0.7884 0.6536 0.6055 0.0072 -0.0146 0.0111 213 ILE d CG1 +38590 C CG2 A ILE V 203 ? 0.6721 0.5375 0.4920 0.0046 -0.0203 0.0095 213 ILE d CG2 +38591 C CG2 B ILE V 203 ? 0.6679 0.5333 0.4877 0.0046 -0.0203 0.0095 213 ILE d CG2 +38592 C CD1 A ILE V 203 ? 0.8166 0.6867 0.6408 0.0061 -0.0134 0.0123 213 ILE d CD1 +38593 C CD1 B ILE V 203 ? 0.8200 0.6902 0.6441 0.0060 -0.0135 0.0124 213 ILE d CD1 +38594 N N A HIS V 204 ? 0.6798 0.5357 0.4858 0.0066 -0.0238 0.0068 214 HIS d N +38595 N N B HIS V 204 ? 0.6781 0.5341 0.4841 0.0066 -0.0238 0.0069 214 HIS d N +38596 C CA A HIS V 204 ? 0.7399 0.5938 0.5416 0.0070 -0.0258 0.0066 214 HIS d CA +38597 C CA B HIS V 204 ? 0.7402 0.5942 0.5420 0.0070 -0.0258 0.0067 214 HIS d CA +38598 C C A HIS V 204 ? 0.7699 0.6187 0.5638 0.0088 -0.0259 0.0056 214 HIS d C +38599 C C B HIS V 204 ? 0.7698 0.6186 0.5637 0.0087 -0.0259 0.0056 214 HIS d C +38600 O O A HIS V 204 ? 0.7463 0.5929 0.5352 0.0102 -0.0251 0.0063 214 HIS d O +38601 O O B HIS V 204 ? 0.7466 0.5932 0.5354 0.0102 -0.0253 0.0062 214 HIS d O +38602 C CB A HIS V 204 ? 0.7160 0.5712 0.5207 0.0054 -0.0295 0.0055 214 HIS d CB +38603 C CB B HIS V 204 ? 0.7160 0.5714 0.5207 0.0054 -0.0294 0.0056 214 HIS d CB +38604 C CG A HIS V 204 ? 0.8088 0.6622 0.6093 0.0059 -0.0320 0.0051 214 HIS d CG +38605 C CG B HIS V 204 ? 0.8101 0.6637 0.6108 0.0060 -0.0319 0.0052 214 HIS d CG +38606 N ND1 A HIS V 204 ? 0.7496 0.6029 0.5480 0.0070 -0.0311 0.0066 214 HIS d ND1 +38607 N ND1 B HIS V 204 ? 0.7495 0.6027 0.5477 0.0071 -0.0309 0.0068 214 HIS d ND1 +38608 C CD2 A HIS V 204 ? 0.7203 0.5718 0.5184 0.0057 -0.0354 0.0034 214 HIS d CD2 +38609 C CD2 B HIS V 204 ? 0.7195 0.5713 0.5179 0.0056 -0.0353 0.0035 214 HIS d CD2 +38610 C CE1 A HIS V 204 ? 0.7648 0.6161 0.5594 0.0075 -0.0339 0.0059 214 HIS d CE1 +38611 C CE1 B HIS V 204 ? 0.7648 0.6160 0.5592 0.0076 -0.0337 0.0060 214 HIS d CE1 +38612 N NE2 A HIS V 204 ? 0.7969 0.6473 0.5914 0.0067 -0.0366 0.0039 214 HIS d NE2 +38613 N NE2 B HIS V 204 ? 0.7976 0.6481 0.5922 0.0068 -0.0365 0.0040 214 HIS d NE2 +38614 N N A GLY V 205 ? 0.8456 0.6920 0.6380 0.0086 -0.0267 0.0040 215 GLY d N +38615 N N B GLY V 205 ? 0.8488 0.6953 0.6413 0.0086 -0.0266 0.0040 215 GLY d N +38616 C CA A GLY V 205 ? 0.7652 0.6065 0.5500 0.0103 -0.0267 0.0028 215 GLY d CA +38617 C CA B GLY V 205 ? 0.7639 0.6053 0.5489 0.0103 -0.0267 0.0029 215 GLY d CA +38618 C C A GLY V 205 ? 0.8708 0.7108 0.6520 0.0124 -0.0230 0.0040 215 GLY d C +38619 C C B GLY V 205 ? 0.8736 0.7137 0.6549 0.0123 -0.0230 0.0041 215 GLY d C +38620 O O A GLY V 205 ? 0.8060 0.6424 0.5806 0.0139 -0.0228 0.0040 215 GLY d O +38621 O O B GLY V 205 ? 0.8059 0.6424 0.5806 0.0139 -0.0228 0.0040 215 GLY d O +38622 N N A ALA V 206 ? 0.7929 0.6358 0.5784 0.0124 -0.0201 0.0051 216 ALA d N +38623 N N B ALA V 206 ? 0.7926 0.6356 0.5783 0.0124 -0.0201 0.0052 216 ALA d N +38624 C CA A ALA V 206 ? 0.7945 0.6368 0.5774 0.0143 -0.0164 0.0062 216 ALA d CA +38625 C CA B ALA V 206 ? 0.7953 0.6376 0.5781 0.0143 -0.0164 0.0062 216 ALA d CA +38626 C C A ALA V 206 ? 0.8338 0.6770 0.6155 0.0146 -0.0153 0.0078 216 ALA d C +38627 C C B ALA V 206 ? 0.8357 0.6788 0.6172 0.0147 -0.0152 0.0079 216 ALA d C +38628 O O A ALA V 206 ? 0.8338 0.6747 0.6104 0.0163 -0.0130 0.0084 216 ALA d O +38629 O O B ALA V 206 ? 0.8356 0.6762 0.6118 0.0164 -0.0130 0.0084 216 ALA d O +38630 C CB A ALA V 206 ? 0.7411 0.5869 0.5295 0.0141 -0.0139 0.0069 216 ALA d CB +38631 C CB B ALA V 206 ? 0.7395 0.5854 0.5279 0.0142 -0.0138 0.0069 216 ALA d CB +38632 N N A THR V 207 ? 0.7747 0.6210 0.5608 0.0131 -0.0167 0.0087 217 THR d N +38633 N N B THR V 207 ? 0.7743 0.6206 0.5603 0.0132 -0.0166 0.0087 217 THR d N +38634 C CA A THR V 207 ? 0.7330 0.5799 0.5180 0.0134 -0.0156 0.0103 217 THR d CA +38635 C CA B THR V 207 ? 0.7318 0.5787 0.5167 0.0134 -0.0155 0.0104 217 THR d CA +38636 C C A THR V 207 ? 0.8117 0.6540 0.5891 0.0145 -0.0173 0.0098 217 THR d C +38637 C C B THR V 207 ? 0.8129 0.6552 0.5902 0.0145 -0.0173 0.0099 217 THR d C +38638 O O A THR V 207 ? 0.7947 0.6348 0.5672 0.0159 -0.0152 0.0108 217 THR d O +38639 O O B THR V 207 ? 0.7975 0.6376 0.5699 0.0159 -0.0152 0.0109 217 THR d O +38640 C CB A THR V 207 ? 0.7773 0.6284 0.5688 0.0115 -0.0168 0.0112 217 THR d CB +38641 C CB B THR V 207 ? 0.7784 0.6296 0.5699 0.0116 -0.0166 0.0113 217 THR d CB +38642 O OG1 A THR V 207 ? 0.7523 0.6076 0.5505 0.0106 -0.0149 0.0119 217 THR d OG1 +38643 O OG1 B THR V 207 ? 0.7530 0.6083 0.5512 0.0107 -0.0148 0.0119 217 THR d OG1 +38644 C CG2 A THR V 207 ? 0.7548 0.6058 0.5445 0.0119 -0.0158 0.0129 217 THR d CG2 +38645 C CG2 B THR V 207 ? 0.7532 0.6044 0.5432 0.0118 -0.0157 0.0130 217 THR d CG2 +38646 N N A VAL V 208 ? 0.7716 0.6123 0.5477 0.0140 -0.0212 0.0083 218 VAL d N +38647 N N B VAL V 208 ? 0.7725 0.6133 0.5487 0.0140 -0.0211 0.0083 218 VAL d N +38648 C CA A VAL V 208 ? 0.8023 0.6385 0.5710 0.0152 -0.0233 0.0075 218 VAL d CA +38649 C CA B VAL V 208 ? 0.8031 0.6394 0.5719 0.0152 -0.0232 0.0076 218 VAL d CA +38650 C C A VAL V 208 ? 0.8393 0.6710 0.6008 0.0172 -0.0212 0.0071 218 VAL d C +38651 C C B VAL V 208 ? 0.8407 0.6725 0.6023 0.0172 -0.0212 0.0071 218 VAL d C +38652 O O A VAL V 208 ? 0.8022 0.6310 0.5577 0.0186 -0.0199 0.0080 218 VAL d O +38653 O O B VAL V 208 ? 0.8027 0.6315 0.5582 0.0186 -0.0200 0.0079 218 VAL d O +38654 C CB A VAL V 208 ? 0.8586 0.6942 0.6278 0.0141 -0.0277 0.0055 218 VAL d CB +38655 C CB B VAL V 208 ? 0.8606 0.6964 0.6301 0.0141 -0.0277 0.0056 218 VAL d CB +38656 C CG1 A VAL V 208 ? 0.7821 0.6127 0.5431 0.0156 -0.0300 0.0045 218 VAL d CG1 +38657 C CG1 B VAL V 208 ? 0.7813 0.6120 0.5425 0.0155 -0.0299 0.0044 218 VAL d CG1 +38658 C CG2 A VAL V 208 ? 0.7073 0.5472 0.4830 0.0124 -0.0299 0.0060 218 VAL d CG2 +38659 C CG2 B VAL V 208 ? 0.7054 0.5453 0.4811 0.0125 -0.0298 0.0060 218 VAL d CG2 +38660 N N A GLU V 209 ? 0.8117 0.6428 0.5735 0.0173 -0.0204 0.0060 219 GLU d N +38661 N N B GLU V 209 ? 0.8126 0.6438 0.5747 0.0173 -0.0204 0.0060 219 GLU d N +38662 C CA A GLU V 209 ? 0.8160 0.6427 0.5709 0.0193 -0.0186 0.0053 219 GLU d CA +38663 C CA B GLU V 209 ? 0.8151 0.6419 0.5703 0.0193 -0.0187 0.0053 219 GLU d CA +38664 C C A GLU V 209 ? 0.7998 0.6267 0.5530 0.0207 -0.0142 0.0071 219 GLU d C +38665 C C B GLU V 209 ? 0.7981 0.6252 0.5516 0.0206 -0.0142 0.0071 219 GLU d C +38666 O O A GLU V 209 ? 0.8582 0.6812 0.6047 0.0226 -0.0125 0.0068 219 GLU d O +38667 O O B GLU V 209 ? 0.8611 0.6842 0.6079 0.0225 -0.0126 0.0067 219 GLU d O +38668 C CB A GLU V 209 ? 0.7988 0.6250 0.5552 0.0192 -0.0187 0.0038 219 GLU d CB +38669 C CB B GLU V 209 ? 0.7967 0.6230 0.5534 0.0190 -0.0188 0.0038 219 GLU d CB +38670 C CG A GLU V 209 ? 0.8261 0.6495 0.5804 0.0184 -0.0228 0.0016 219 GLU d CG +38671 C CG B GLU V 209 ? 0.8256 0.6489 0.5798 0.0184 -0.0229 0.0016 219 GLU d CG +38672 C CD A GLU V 209 ? 0.9553 0.7731 0.7004 0.0201 -0.0240 0.0007 219 GLU d CD +38673 C CD B GLU V 209 ? 0.9581 0.7759 0.7031 0.0201 -0.0240 0.0008 219 GLU d CD +38674 O OE1 A GLU V 209 ? 0.9334 0.7475 0.6731 0.0217 -0.0222 0.0000 219 GLU d OE1 +38675 O OE1 B GLU V 209 ? 0.9396 0.7539 0.6792 0.0219 -0.0219 0.0004 219 GLU d OE1 +38676 O OE2 A GLU V 209 ? 0.9353 0.7524 0.6784 0.0198 -0.0266 0.0006 219 GLU d OE2 +38677 O OE2 B GLU V 209 ? 0.9387 0.7560 0.6821 0.0197 -0.0269 0.0005 219 GLU d OE2 +38678 N N A ASN V 210 ? 0.7805 0.6120 0.5396 0.0198 -0.0122 0.0089 220 ASN d N +38679 N N B ASN V 210 ? 0.7788 0.6103 0.5380 0.0197 -0.0122 0.0089 220 ASN d N +38680 C CA A ASN V 210 ? 0.8690 0.7012 0.6273 0.0208 -0.0078 0.0105 220 ASN d CA +38681 C CA B ASN V 210 ? 0.8709 0.7032 0.6293 0.0208 -0.0078 0.0105 220 ASN d CA +38682 C C A ASN V 210 ? 0.8423 0.6752 0.6001 0.0204 -0.0069 0.0123 220 ASN d C +38683 C C B ASN V 210 ? 0.8431 0.6761 0.6011 0.0204 -0.0070 0.0123 220 ASN d C +38684 O O A ASN V 210 ? 0.8275 0.6619 0.5859 0.0208 -0.0032 0.0139 220 ASN d O +38685 O O B ASN V 210 ? 0.8278 0.6623 0.5865 0.0207 -0.0033 0.0139 220 ASN d O +38686 C CB A ASN V 210 ? 0.8275 0.6643 0.5927 0.0202 -0.0053 0.0109 220 ASN d CB +38687 C CB B ASN V 210 ? 0.8276 0.6645 0.5930 0.0202 -0.0053 0.0109 220 ASN d CB +38688 C CG A ASN V 210 ? 0.8498 0.6848 0.6135 0.0214 -0.0049 0.0093 220 ASN d CG +38689 C CG B ASN V 210 ? 0.8512 0.6863 0.6150 0.0214 -0.0048 0.0094 220 ASN d CG +38690 O OD1 A ASN V 210 ? 0.8726 0.7059 0.6324 0.0232 -0.0019 0.0094 220 ASN d OD1 +38691 O OD1 B ASN V 210 ? 0.8755 0.7090 0.6356 0.0232 -0.0017 0.0094 220 ASN d OD1 +38692 N ND2 A ASN V 210 ? 0.7837 0.6188 0.5500 0.0204 -0.0077 0.0079 220 ASN d ND2 +38693 N ND2 B ASN V 210 ? 0.7823 0.6175 0.5486 0.0205 -0.0076 0.0079 220 ASN d ND2 +38694 N N A THR V 211 ? 0.7846 0.6166 0.5416 0.0198 -0.0103 0.0122 221 THR d N +38695 N N B THR V 211 ? 0.7831 0.6152 0.5402 0.0197 -0.0105 0.0122 221 THR d N +38696 C CA A THR V 211 ? 0.8255 0.6564 0.5797 0.0199 -0.0100 0.0138 221 THR d CA +38697 C CA B THR V 211 ? 0.8258 0.6569 0.5802 0.0198 -0.0101 0.0138 221 THR d CA +38698 C C A THR V 211 ? 0.8024 0.6280 0.5485 0.0211 -0.0129 0.0129 221 THR d C +38699 C C B THR V 211 ? 0.8019 0.6276 0.5482 0.0211 -0.0131 0.0129 221 THR d C +38700 O O A THR V 211 ? 0.8074 0.6321 0.5517 0.0211 -0.0143 0.0138 221 THR d O +38701 O O B THR V 211 ? 0.8070 0.6318 0.5517 0.0210 -0.0148 0.0136 221 THR d O +38702 C CB A THR V 211 ? 0.7637 0.5990 0.5251 0.0180 -0.0113 0.0148 221 THR d CB +38703 C CB B THR V 211 ? 0.7622 0.5977 0.5238 0.0180 -0.0113 0.0148 221 THR d CB +38704 O OG1 A THR V 211 ? 0.8106 0.6473 0.5755 0.0169 -0.0153 0.0133 221 THR d OG1 +38705 O OG1 B THR V 211 ? 0.8117 0.6484 0.5766 0.0169 -0.0154 0.0133 221 THR d OG1 +38706 C CG2 A THR V 211 ? 0.7655 0.6058 0.5341 0.0169 -0.0079 0.0160 221 THR d CG2 +38707 C CG2 B THR V 211 ? 0.7662 0.6066 0.5349 0.0169 -0.0080 0.0159 221 THR d CG2 +38708 N N A LEU V 212 ? 0.8544 0.6765 0.5955 0.0223 -0.0139 0.0112 222 LEU d N +38709 N N B LEU V 212 ? 0.8547 0.6768 0.5958 0.0223 -0.0138 0.0112 222 LEU d N +38710 C CA A LEU V 212 ? 0.9302 0.7471 0.6634 0.0236 -0.0168 0.0101 222 LEU d CA +38711 C CA B LEU V 212 ? 0.9327 0.7495 0.6658 0.0236 -0.0167 0.0101 222 LEU d CA +38712 C C A LEU V 212 ? 0.9134 0.7266 0.6393 0.0251 -0.0147 0.0117 222 LEU d C +38713 C C B LEU V 212 ? 0.9150 0.7283 0.6410 0.0251 -0.0146 0.0117 222 LEU d C +38714 O O A LEU V 212 ? 0.9265 0.7398 0.6516 0.0257 -0.0104 0.0130 222 LEU d O +38715 O O B LEU V 212 ? 0.9284 0.7416 0.6534 0.0257 -0.0103 0.0130 222 LEU d O +38716 C CB A LEU V 212 ? 0.8744 0.6879 0.6032 0.0246 -0.0175 0.0081 222 LEU d CB +38717 C CB B LEU V 212 ? 0.8740 0.6874 0.6027 0.0247 -0.0173 0.0081 222 LEU d CB +38718 C CG A LEU V 212 ? 0.8762 0.6915 0.6097 0.0233 -0.0201 0.0061 222 LEU d CG +38719 C CG B LEU V 212 ? 0.8767 0.6921 0.6103 0.0233 -0.0200 0.0062 222 LEU d CG +38720 C CD1 A LEU V 212 ? 0.8136 0.6244 0.5411 0.0247 -0.0198 0.0044 222 LEU d CD1 +38721 C CD1 B LEU V 212 ? 0.8124 0.6234 0.5404 0.0246 -0.0200 0.0044 222 LEU d CD1 +38722 C CD2 A LEU V 212 ? 0.8467 0.6626 0.5819 0.0221 -0.0250 0.0051 222 LEU d CD2 +38723 C CD2 B LEU V 212 ? 0.8461 0.6622 0.5815 0.0221 -0.0248 0.0052 222 LEU d CD2 +38724 N N A PHE V 213 ? 0.9032 0.7133 0.6242 0.0257 -0.0178 0.0115 223 PHE d N +38725 N N B PHE V 213 ? 0.9044 0.7145 0.6254 0.0257 -0.0177 0.0115 223 PHE d N +38726 C CA A PHE V 213 ? 0.9281 0.7333 0.6404 0.0275 -0.0163 0.0126 223 PHE d CA +38727 C CA B PHE V 213 ? 0.9285 0.7336 0.6407 0.0275 -0.0163 0.0126 223 PHE d CA +38728 C C A PHE V 213 ? 0.9787 0.7786 0.6827 0.0294 -0.0159 0.0112 223 PHE d C +38729 C C B PHE V 213 ? 0.9803 0.7803 0.6843 0.0294 -0.0159 0.0112 223 PHE d C +38730 O O A PHE V 213 ? 0.8809 0.6799 0.5844 0.0294 -0.0187 0.0091 223 PHE d O +38731 O O B PHE V 213 ? 0.8798 0.6788 0.5833 0.0294 -0.0188 0.0091 223 PHE d O +38732 C CB A PHE V 213 ? 0.9033 0.7067 0.6128 0.0278 -0.0200 0.0128 223 PHE d CB +38733 C CB B PHE V 213 ? 0.9022 0.7057 0.6118 0.0278 -0.0201 0.0128 223 PHE d CB +38734 C CG A PHE V 213 ? 0.9092 0.7165 0.6248 0.0264 -0.0196 0.0146 223 PHE d CG +38735 C CG B PHE V 213 ? 0.9098 0.7171 0.6254 0.0264 -0.0197 0.0146 223 PHE d CG +38736 C CD1 A PHE V 213 ? 0.8438 0.6513 0.5593 0.0263 -0.0153 0.0169 223 PHE d CD1 +38737 C CD1 B PHE V 213 ? 0.8419 0.6496 0.5576 0.0263 -0.0153 0.0169 223 PHE d CD1 +38738 C CD2 A PHE V 213 ? 0.8493 0.6599 0.5707 0.0252 -0.0235 0.0140 223 PHE d CD2 +38739 C CD2 B PHE V 213 ? 0.8488 0.6592 0.5699 0.0252 -0.0236 0.0140 223 PHE d CD2 +38740 C CE1 A PHE V 213 ? 0.8280 0.6387 0.5488 0.0250 -0.0149 0.0185 223 PHE d CE1 +38741 C CE1 B PHE V 213 ? 0.8261 0.6369 0.5471 0.0250 -0.0149 0.0185 223 PHE d CE1 +38742 C CE2 A PHE V 213 ? 0.8383 0.6522 0.5650 0.0240 -0.0231 0.0156 223 PHE d CE2 +38743 C CE2 B PHE V 213 ? 0.8380 0.6517 0.5644 0.0241 -0.0232 0.0156 223 PHE d CE2 +38744 C CZ A PHE V 213 ? 0.9262 0.7400 0.6525 0.0239 -0.0188 0.0178 223 PHE d CZ +38745 C CZ B PHE V 213 ? 0.9276 0.7413 0.6538 0.0240 -0.0189 0.0179 223 PHE d CZ +38746 N N A GLN V 214 ? 0.9349 0.7314 0.6323 0.0309 -0.0122 0.0124 224 GLN d N +38747 N N B GLN V 214 ? 0.9346 0.7312 0.6322 0.0309 -0.0122 0.0124 224 GLN d N +38748 C CA A GLN V 214 ? 1.0575 0.8485 0.7461 0.0329 -0.0117 0.0112 224 GLN d CA +38749 C CA B GLN V 214 ? 1.0604 0.8515 0.7492 0.0329 -0.0117 0.0112 224 GLN d CA +38750 C C A GLN V 214 ? 0.9651 0.7509 0.6457 0.0342 -0.0158 0.0104 224 GLN d C +38751 C C B GLN V 214 ? 0.9646 0.7505 0.6454 0.0342 -0.0157 0.0104 224 GLN d C +38752 O O A GLN V 214 ? 1.0028 0.7854 0.6776 0.0352 -0.0150 0.0118 224 GLN d O +38753 O O B GLN V 214 ? 1.0035 0.7861 0.6782 0.0352 -0.0147 0.0119 224 GLN d O +38754 C CB A GLN V 214 ? 0.9491 0.7382 0.6334 0.0341 -0.0062 0.0126 224 GLN d CB +38755 C CB B GLN V 214 ? 0.9468 0.7361 0.6314 0.0341 -0.0062 0.0126 224 GLN d CB +38756 C CG A GLN V 214 ? 1.1053 0.8888 0.7808 0.0363 -0.0058 0.0112 224 GLN d CG +38757 C CG B GLN V 214 ? 1.1079 0.8911 0.7829 0.0363 -0.0059 0.0113 224 GLN d CG +38758 C CD A GLN V 214 ? 1.2027 0.9843 0.8736 0.0376 -0.0002 0.0124 224 GLN d CD +38759 C CD B GLN V 214 ? 1.2047 0.9861 0.8754 0.0376 -0.0003 0.0125 224 GLN d CD +38760 O OE1 A GLN V 214 ? 1.2230 1.0080 0.8983 0.0368 0.0036 0.0143 224 GLN d OE1 +38761 O OE1 B GLN V 214 ? 1.2252 1.0102 0.9004 0.0368 0.0036 0.0143 224 GLN d OE1 +38762 N NE2 A GLN V 214 ? 1.2869 1.0630 0.9490 0.0397 0.0002 0.0113 224 GLN d NE2 +38763 N NE2 B GLN V 214 ? 1.2896 1.0656 0.9515 0.0397 0.0002 0.0113 224 GLN d NE2 +38764 N N A ASP V 215 ? 0.9691 0.7541 0.6495 0.0341 -0.0202 0.0081 225 ASP d N +38765 N N B ASP V 215 ? 0.9679 0.7532 0.6487 0.0340 -0.0202 0.0082 225 ASP d N +38766 C CA A ASP V 215 ? 1.0718 0.8527 0.7456 0.0351 -0.0246 0.0070 225 ASP d CA +38767 C CA B ASP V 215 ? 1.0720 0.8531 0.7461 0.0351 -0.0246 0.0071 225 ASP d CA +38768 C C A ASP V 215 ? 1.0321 0.8074 0.6974 0.0368 -0.0257 0.0050 225 ASP d C +38769 C C B ASP V 215 ? 1.0324 0.8078 0.6978 0.0368 -0.0256 0.0051 225 ASP d C +38770 O O A ASP V 215 ? 1.0759 0.8483 0.7367 0.0375 -0.0302 0.0034 225 ASP d O +38771 O O B ASP V 215 ? 1.0761 0.8486 0.7371 0.0374 -0.0300 0.0035 225 ASP d O +38772 C CB A ASP V 215 ? 0.9826 0.7675 0.6632 0.0335 -0.0295 0.0059 225 ASP d CB +38773 C CB B ASP V 215 ? 0.9811 0.7660 0.6618 0.0334 -0.0295 0.0059 225 ASP d CB +38774 C CG A ASP V 215 ? 1.0951 0.8842 0.7820 0.0322 -0.0290 0.0079 225 ASP d CG +38775 C CG B ASP V 215 ? 1.0981 0.8872 0.7850 0.0323 -0.0293 0.0079 225 ASP d CG +38776 O OD1 A ASP V 215 ? 1.0481 0.8355 0.7317 0.0331 -0.0260 0.0100 225 ASP d OD1 +38777 O OD1 B ASP V 215 ? 1.0550 0.8421 0.7380 0.0332 -0.0266 0.0100 225 ASP d OD1 +38778 O OD2 A ASP V 215 ? 1.0824 0.8763 0.7774 0.0305 -0.0316 0.0073 225 ASP d OD2 +38779 O OD2 B ASP V 215 ? 1.0845 0.8785 0.7797 0.0304 -0.0316 0.0073 225 ASP d OD2 +38780 N N A GLY V 216 ? 0.9980 0.7720 0.6613 0.0376 -0.0219 0.0049 226 GLY d N +38781 N N B GLY V 216 ? 0.9983 0.7723 0.6615 0.0376 -0.0215 0.0052 226 GLY d N +38782 C CA A GLY V 216 ? 0.9421 0.7105 0.5970 0.0394 -0.0221 0.0031 226 GLY d CA +38783 C CA B GLY V 216 ? 0.9392 0.7077 0.5941 0.0394 -0.0219 0.0034 226 GLY d CA +38784 C C A GLY V 216 ? 1.1711 0.9386 0.8240 0.0404 -0.0163 0.0042 226 GLY d C +38785 C C B GLY V 216 ? 1.1734 0.9410 0.8264 0.0404 -0.0162 0.0043 226 GLY d C +38786 O O A GLY V 216 ? 1.0735 0.8451 0.7320 0.0396 -0.0125 0.0061 226 GLY d O +38787 O O B GLY V 216 ? 1.0730 0.8447 0.7316 0.0396 -0.0123 0.0062 226 GLY d O +38788 N N . GLU V 217 ? 1.0828 0.8452 0.7278 0.0423 -0.0157 0.0028 227 GLU d N +38789 C CA . GLU V 217 ? 1.0927 0.8537 0.7347 0.0436 -0.0103 0.0035 227 GLU d CA +38790 C C . GLU V 217 ? 1.1110 0.8732 0.7562 0.0436 -0.0094 0.0019 227 GLU d C +38791 O O . GLU V 217 ? 1.0514 0.8140 0.6964 0.0445 -0.0047 0.0025 227 GLU d O +38792 C CB . GLU V 217 ? 1.2959 1.0495 0.9253 0.0462 -0.0093 0.0035 227 GLU d CB +38793 C CG . GLU V 217 ? 1.5195 1.2709 1.1443 0.0466 -0.0098 0.0053 227 GLU d CG +38794 C CD . GLU V 217 ? 1.6565 1.4118 1.2861 0.0457 -0.0052 0.0082 227 GLU d CD +38795 O OE1 . GLU V 217 ? 1.4932 1.2508 1.1258 0.0457 -0.0005 0.0088 227 GLU d OE1 +38796 O OE2 . GLU V 217 ? 1.8467 1.6026 1.4769 0.0451 -0.0063 0.0097 227 GLU d OE2 +38797 N N . GLY V 218 ? 0.9000 0.6625 0.5479 0.0425 -0.0136 -0.0003 228 GLY d N +38798 C CA . GLY V 218 ? 1.1595 0.9225 0.8098 0.0425 -0.0129 -0.0019 228 GLY d CA +38799 C C . GLY V 218 ? 1.1372 0.9069 0.7980 0.0411 -0.0100 -0.0007 228 GLY d C +38800 O O . GLY V 218 ? 1.0092 0.7839 0.6772 0.0394 -0.0101 0.0008 228 GLY d O +38801 N N . ALA V 219 ? 1.0626 0.8322 0.7242 0.0419 -0.0075 -0.0015 229 ALA d N +38802 C CA . ALA V 219 ? 1.0296 0.8053 0.7010 0.0407 -0.0052 -0.0007 229 ALA d CA +38803 C C . ALA V 219 ? 1.1448 0.9236 0.8235 0.0383 -0.0092 -0.0018 229 ALA d C +38804 O O . ALA V 219 ? 0.9652 0.7498 0.6528 0.0369 -0.0082 -0.0008 229 ALA d O +38805 C CB . ALA V 219 ? 0.9820 0.7566 0.6519 0.0425 -0.0016 -0.0014 229 ALA d CB +38806 N N A SER V 220 ? 1.0215 0.7967 0.6966 0.0380 -0.0137 -0.0039 230 SER d N +38807 N N B SER V 220 ? 1.0213 0.7967 0.6966 0.0379 -0.0138 -0.0038 230 SER d N +38808 C CA A SER V 220 ? 0.9791 0.7571 0.6607 0.0355 -0.0178 -0.0049 230 SER d CA +38809 C CA B SER V 220 ? 0.9774 0.7557 0.6593 0.0354 -0.0178 -0.0048 230 SER d CA +38810 C C A SER V 220 ? 1.0735 0.8540 0.7573 0.0342 -0.0202 -0.0038 230 SER d C +38811 C C B SER V 220 ? 1.0766 0.8574 0.7609 0.0341 -0.0202 -0.0037 230 SER d C +38812 O O A SER V 220 ? 1.0548 0.8316 0.7323 0.0349 -0.0228 -0.0044 230 SER d O +38813 O O B SER V 220 ? 1.0558 0.8329 0.7338 0.0348 -0.0229 -0.0043 230 SER d O +38814 C CB A SER V 220 ? 1.0181 0.7914 0.6951 0.0355 -0.0215 -0.0077 230 SER d CB +38815 C CB B SER V 220 ? 1.0171 0.7907 0.6947 0.0354 -0.0214 -0.0076 230 SER d CB +38816 O OG A SER V 220 ? 1.0854 0.8606 0.7666 0.0332 -0.0261 -0.0086 230 SER d OG +38817 O OG B SER V 220 ? 1.0868 0.8621 0.7680 0.0332 -0.0261 -0.0085 230 SER d OG +38818 N N A THR V 221 ? 0.9021 0.6887 0.5949 0.0325 -0.0195 -0.0022 231 THR d N +38819 N N B THR V 221 ? 0.8997 0.6865 0.5928 0.0324 -0.0194 -0.0021 231 THR d N +38820 C CA A THR V 221 ? 0.8586 0.6478 0.5540 0.0314 -0.0213 -0.0010 231 THR d CA +38821 C CA B THR V 221 ? 0.8561 0.6455 0.5517 0.0314 -0.0213 -0.0009 231 THR d CA +38822 C C A THR V 221 ? 0.8815 0.6711 0.5789 0.0297 -0.0267 -0.0026 231 THR d C +38823 C C B THR V 221 ? 0.8809 0.6706 0.5785 0.0297 -0.0266 -0.0025 231 THR d C +38824 O O A THR V 221 ? 0.8885 0.6795 0.5869 0.0292 -0.0289 -0.0020 231 THR d O +38825 O O B THR V 221 ? 0.8881 0.6792 0.5866 0.0292 -0.0288 -0.0018 231 THR d O +38826 C CB A THR V 221 ? 0.9575 0.7529 0.6616 0.0301 -0.0186 0.0011 231 THR d CB +38827 C CB B THR V 221 ? 0.9586 0.7541 0.6628 0.0301 -0.0185 0.0013 231 THR d CB +38828 O OG1 A THR V 221 ? 0.9170 0.7159 0.6285 0.0286 -0.0188 0.0004 231 THR d OG1 +38829 O OG1 B THR V 221 ? 0.9224 0.7217 0.6344 0.0285 -0.0190 0.0005 231 THR d OG1 +38830 C CG2 A THR V 221 ? 0.9190 0.7141 0.6207 0.0317 -0.0134 0.0029 231 THR d CG2 +38831 C CG2 B THR V 221 ? 0.9197 0.7151 0.6218 0.0317 -0.0132 0.0029 231 THR d CG2 +38832 N N A PHE V 222 ? 0.8576 0.6460 0.5556 0.0290 -0.0288 -0.0048 232 PHE d N +38833 N N B PHE V 222 ? 0.8536 0.6421 0.5518 0.0290 -0.0287 -0.0047 232 PHE d N +38834 C CA A PHE V 222 ? 0.9319 0.7213 0.6328 0.0271 -0.0338 -0.0065 232 PHE d CA +38835 C CA B PHE V 222 ? 0.9311 0.7204 0.6319 0.0272 -0.0337 -0.0065 232 PHE d CA +38836 C C A PHE V 222 ? 1.0163 0.8018 0.7100 0.0281 -0.0372 -0.0074 232 PHE d C +38837 C C B PHE V 222 ? 1.0183 0.8036 0.7117 0.0282 -0.0372 -0.0074 232 PHE d C +38838 O O A PHE V 222 ? 0.9719 0.7597 0.6685 0.0269 -0.0408 -0.0078 232 PHE d O +38839 O O B PHE V 222 ? 0.9735 0.7608 0.6697 0.0269 -0.0410 -0.0080 232 PHE d O +38840 C CB A PHE V 222 ? 0.9538 0.7418 0.6559 0.0262 -0.0350 -0.0087 232 PHE d CB +38841 C CB B PHE V 222 ? 0.9525 0.7405 0.6544 0.0262 -0.0349 -0.0087 232 PHE d CB +38842 C CG A PHE V 222 ? 1.0048 0.7968 0.7145 0.0251 -0.0323 -0.0080 232 PHE d CG +38843 C CG B PHE V 222 ? 1.0056 0.7977 0.7154 0.0251 -0.0323 -0.0079 232 PHE d CG +38844 C CD1 A PHE V 222 ? 0.9763 0.7738 0.6950 0.0227 -0.0335 -0.0075 232 PHE d CD1 +38845 C CD1 B PHE V 222 ? 0.9764 0.7740 0.6951 0.0227 -0.0335 -0.0074 232 PHE d CD1 +38846 C CD2 A PHE V 222 ? 0.9339 0.7241 0.6415 0.0265 -0.0287 -0.0078 232 PHE d CD2 +38847 C CD2 B PHE V 222 ? 0.9328 0.7232 0.6407 0.0265 -0.0286 -0.0077 232 PHE d CD2 +38848 C CE1 A PHE V 222 ? 0.9302 0.7311 0.6555 0.0218 -0.0312 -0.0068 232 PHE d CE1 +38849 C CE1 B PHE V 222 ? 0.9303 0.7315 0.6559 0.0218 -0.0312 -0.0067 232 PHE d CE1 +38850 C CE2 A PHE V 222 ? 1.0283 0.8220 0.7428 0.0257 -0.0264 -0.0072 232 PHE d CE2 +38851 C CE2 B PHE V 222 ? 1.0308 0.8249 0.7458 0.0256 -0.0264 -0.0071 232 PHE d CE2 +38852 C CZ A PHE V 222 ? 0.8973 0.6964 0.6206 0.0233 -0.0277 -0.0067 232 PHE d CZ +38853 C CZ B PHE V 222 ? 0.8964 0.6958 0.6200 0.0232 -0.0278 -0.0066 232 PHE d CZ +38854 N N A ARG V 223 ? 1.0629 0.8426 0.7471 0.0304 -0.0363 -0.0079 233 ARG d N +38855 N N B ARG V 223 ? 1.0643 0.8440 0.7483 0.0305 -0.0359 -0.0077 233 ARG d N +38856 C CA A ARG V 223 ? 1.0924 0.8678 0.7688 0.0315 -0.0397 -0.0089 233 ARG d CA +38857 C CA B ARG V 223 ? 1.0931 0.8684 0.7692 0.0317 -0.0394 -0.0088 233 ARG d CA +38858 C C A ARG V 223 ? 1.0738 0.8508 0.7501 0.0320 -0.0402 -0.0070 233 ARG d C +38859 C C B ARG V 223 ? 1.0744 0.8512 0.7503 0.0321 -0.0400 -0.0070 233 ARG d C +38860 O O A ARG V 223 ? 1.1148 0.8907 0.7885 0.0321 -0.0443 -0.0079 233 ARG d O +38861 O O B ARG V 223 ? 1.1173 0.8929 0.7906 0.0322 -0.0442 -0.0079 233 ARG d O +38862 C CB A ARG V 223 ? 1.0924 0.8611 0.7584 0.0340 -0.0380 -0.0096 233 ARG d CB +38863 C CB B ARG V 223 ? 1.0901 0.8587 0.7558 0.0342 -0.0377 -0.0095 233 ARG d CB +38864 C CG A ARG V 223 ? 1.2419 1.0081 0.9069 0.0338 -0.0378 -0.0117 233 ARG d CG +38865 C CG B ARG V 223 ? 1.2425 1.0085 0.9071 0.0340 -0.0376 -0.0116 233 ARG d CG +38866 C CD A ARG V 223 ? 1.4207 1.1796 1.0745 0.0360 -0.0385 -0.0133 233 ARG d CD +38867 C CD B ARG V 223 ? 1.4222 1.1810 1.0758 0.0361 -0.0388 -0.0133 233 ARG d CD +38868 N NE A ARG V 223 ? 1.4985 1.2547 1.1513 0.0354 -0.0404 -0.0160 233 ARG d NE +38869 N NE B ARG V 223 ? 1.4996 1.2557 1.1523 0.0354 -0.0405 -0.0160 233 ARG d NE +38870 C CZ A ARG V 223 ? 1.6486 1.3992 1.2936 0.0362 -0.0434 -0.0183 233 ARG d CZ +38871 C CZ B ARG V 223 ? 1.6510 1.4015 1.2960 0.0361 -0.0434 -0.0183 233 ARG d CZ +38872 N NH1 A ARG V 223 ? 1.7061 1.4532 1.3435 0.0377 -0.0452 -0.0183 233 ARG d NH1 +38873 N NH1 B ARG V 223 ? 1.7089 1.4558 1.3461 0.0377 -0.0452 -0.0184 233 ARG d NH1 +38874 N NH2 A ARG V 223 ? 1.6391 1.3871 1.2835 0.0354 -0.0448 -0.0206 233 ARG d NH2 +38875 N NH2 B ARG V 223 ? 1.6400 1.3882 1.2848 0.0353 -0.0447 -0.0206 233 ARG d NH2 +38876 N N A ALA V 224 ? 1.0089 0.7885 0.6879 0.0322 -0.0361 -0.0044 234 ALA d N +38877 N N B ALA V 224 ? 1.0077 0.7871 0.6863 0.0323 -0.0360 -0.0044 234 ALA d N +38878 C CA A ALA V 224 ? 0.9700 0.7505 0.6484 0.0327 -0.0361 -0.0025 234 ALA d CA +38879 C CA B ALA V 224 ? 0.9681 0.7486 0.6464 0.0327 -0.0361 -0.0024 234 ALA d CA +38880 C C A ALA V 224 ? 1.0588 0.8448 0.7457 0.0306 -0.0392 -0.0023 234 ALA d C +38881 C C B ALA V 224 ? 1.0603 0.8462 0.7470 0.0307 -0.0391 -0.0022 234 ALA d C +38882 O O A ALA V 224 ? 1.0236 0.8133 0.7155 0.0300 -0.0373 -0.0002 234 ALA d O +38883 O O B ALA V 224 ? 1.0245 0.8142 0.7162 0.0300 -0.0373 -0.0001 234 ALA d O +38884 C CB A ALA V 224 ? 0.9422 0.7236 0.6209 0.0334 -0.0306 0.0002 234 ALA d CB +38885 C CB B ALA V 224 ? 0.9402 0.7217 0.6190 0.0334 -0.0305 0.0003 234 ALA d CB +38886 N N A PHE V 225 ? 1.0245 0.8110 0.7130 0.0296 -0.0439 -0.0045 235 PHE d N +38887 N N B PHE V 225 ? 1.0246 0.8111 0.7131 0.0296 -0.0438 -0.0045 235 PHE d N +38888 C CA A PHE V 225 ? 1.0956 0.8872 0.7917 0.0277 -0.0470 -0.0046 235 PHE d CA +38889 C CA B PHE V 225 ? 1.0973 0.8889 0.7934 0.0278 -0.0470 -0.0045 235 PHE d CA +38890 C C A PHE V 225 ? 1.0848 0.8748 0.7782 0.0277 -0.0525 -0.0070 235 PHE d C +38891 C C B PHE V 225 ? 1.0859 0.8758 0.7792 0.0277 -0.0525 -0.0070 235 PHE d C +38892 O O A PHE V 225 ? 1.0301 0.8172 0.7202 0.0277 -0.0541 -0.0092 235 PHE d O +38893 O O B PHE V 225 ? 1.0283 0.8153 0.7184 0.0276 -0.0540 -0.0092 235 PHE d O +38894 C CB A PHE V 225 ? 1.0283 0.8254 0.7346 0.0252 -0.0462 -0.0048 235 PHE d CB +38895 C CB B PHE V 225 ? 1.0304 0.8276 0.7368 0.0252 -0.0460 -0.0047 235 PHE d CB +38896 C CG A PHE V 225 ? 0.9501 0.7523 0.6642 0.0233 -0.0496 -0.0052 235 PHE d CG +38897 C CG B PHE V 225 ? 0.9487 0.7509 0.6627 0.0233 -0.0495 -0.0051 235 PHE d CG +38898 C CD1 A PHE V 225 ? 0.9800 0.7861 0.6988 0.0229 -0.0488 -0.0032 235 PHE d CD1 +38899 C CD1 B PHE V 225 ? 0.9795 0.7856 0.6984 0.0229 -0.0487 -0.0030 235 PHE d CD1 +38900 C CD2 A PHE V 225 ? 0.9411 0.7441 0.6574 0.0218 -0.0537 -0.0078 235 PHE d CD2 +38901 C CD2 B PHE V 225 ? 0.9381 0.7411 0.6543 0.0219 -0.0536 -0.0077 235 PHE d CD2 +38902 C CE1 A PHE V 225 ? 0.9637 0.7744 0.6894 0.0213 -0.0520 -0.0036 235 PHE d CE1 +38903 C CE1 B PHE V 225 ? 0.9623 0.7731 0.6880 0.0213 -0.0518 -0.0035 235 PHE d CE1 +38904 C CE2 A PHE V 225 ? 0.9746 0.7825 0.6981 0.0200 -0.0568 -0.0083 235 PHE d CE2 +38905 C CE2 B PHE V 225 ? 0.9727 0.7806 0.6960 0.0201 -0.0567 -0.0081 235 PHE d CE2 +38906 C CZ A PHE V 225 ? 0.9749 0.7867 0.7030 0.0199 -0.0559 -0.0062 235 PHE d CZ +38907 C CZ B PHE V 225 ? 0.9734 0.7852 0.7014 0.0200 -0.0558 -0.0061 235 PHE d CZ +38908 N N A ASN V 226 ? 1.0152 0.8074 0.7104 0.0276 -0.0556 -0.0067 236 ASN d N +38909 N N B ASN V 226 ? 1.0139 0.8059 0.7089 0.0277 -0.0556 -0.0067 236 ASN d N +38910 C CA A ASN V 226 ? 1.1171 0.9086 0.8106 0.0275 -0.0611 -0.0090 236 ASN d CA +38911 C CA B ASN V 226 ? 1.1167 0.9080 0.8099 0.0276 -0.0611 -0.0091 236 ASN d CA +38912 C C A ASN V 226 ? 1.1057 0.9036 0.8087 0.0255 -0.0639 -0.0094 236 ASN d C +38913 C C B ASN V 226 ? 1.1045 0.9022 0.8072 0.0256 -0.0638 -0.0094 236 ASN d C +38914 O O A ASN V 226 ? 1.1022 0.9031 0.8088 0.0256 -0.0629 -0.0073 236 ASN d O +38915 O O B ASN V 226 ? 1.1015 0.9023 0.8080 0.0256 -0.0627 -0.0073 236 ASN d O +38916 C CB A ASN V 226 ? 1.2623 1.0489 0.9462 0.0302 -0.0629 -0.0088 236 ASN d CB +38917 C CB B ASN V 226 ? 1.2634 1.0499 0.9471 0.0303 -0.0628 -0.0088 236 ASN d CB +38918 C CG A ASN V 226 ? 1.3214 1.1070 1.0029 0.0303 -0.0687 -0.0116 236 ASN d CG +38919 C CG B ASN V 226 ? 1.3233 1.1086 1.0043 0.0304 -0.0686 -0.0116 236 ASN d CG +38920 O OD1 A ASN V 226 ? 1.2620 1.0517 0.9488 0.0294 -0.0723 -0.0122 236 ASN d OD1 +38921 O OD1 B ASN V 226 ? 1.2635 1.0529 0.9497 0.0296 -0.0722 -0.0122 236 ASN d OD1 +38922 N ND2 A ASN V 226 ? 1.4938 1.2741 1.1675 0.0313 -0.0697 -0.0134 236 ASN d ND2 +38923 N ND2 B ASN V 226 ? 1.4980 1.2780 1.1713 0.0315 -0.0697 -0.0134 236 ASN d ND2 +38924 N N A PRO V 227 ? 1.2113 1.0112 0.9182 0.0237 -0.0674 -0.0119 237 PRO d N +38925 N N B PRO V 227 ? 1.2119 1.0116 0.9185 0.0238 -0.0675 -0.0120 237 PRO d N +38926 C CA A PRO V 227 ? 1.2085 1.0150 0.9253 0.0215 -0.0696 -0.0123 237 PRO d CA +38927 C CA B PRO V 227 ? 1.2093 1.0157 0.9259 0.0216 -0.0696 -0.0123 237 PRO d CA +38928 C C A PRO V 227 ? 1.2678 1.0764 0.9852 0.0225 -0.0722 -0.0115 237 PRO d C +38929 C C B PRO V 227 ? 1.2702 1.0786 0.9874 0.0226 -0.0722 -0.0115 237 PRO d C +38930 O O A PRO V 227 ? 1.2076 1.0217 0.9332 0.0211 -0.0727 -0.0109 237 PRO d O +38931 O O B PRO V 227 ? 1.2080 1.0219 0.9333 0.0212 -0.0727 -0.0109 237 PRO d O +38932 C CB A PRO V 227 ? 1.2055 1.0123 0.9238 0.0197 -0.0733 -0.0155 237 PRO d CB +38933 C CB B PRO V 227 ? 1.2050 1.0118 0.9234 0.0197 -0.0732 -0.0155 237 PRO d CB +38934 C CG A PRO V 227 ? 1.2120 1.0130 0.9232 0.0205 -0.0717 -0.0164 237 PRO d CG +38935 C CG B PRO V 227 ? 1.2112 1.0121 0.9223 0.0205 -0.0717 -0.0164 237 PRO d CG +38936 C CD A PRO V 227 ? 1.2784 1.0746 0.9808 0.0235 -0.0694 -0.0146 237 PRO d CD +38937 C CD B PRO V 227 ? 1.2807 1.0768 0.9828 0.0236 -0.0697 -0.0147 237 PRO d CD +38938 N N A THR V 228 ? 1.1682 0.9723 0.8771 0.0251 -0.0740 -0.0116 238 THR d N +38939 N N B THR V 228 ? 1.1673 0.9713 0.8759 0.0251 -0.0741 -0.0116 238 THR d N +38940 C CA A THR V 228 ? 1.1923 0.9979 0.9010 0.0263 -0.0768 -0.0109 238 THR d CA +38941 C CA B THR V 228 ? 1.1922 0.9975 0.9006 0.0264 -0.0768 -0.0109 238 THR d CA +38942 C C A THR V 228 ? 1.2414 1.0449 0.9464 0.0282 -0.0734 -0.0078 238 THR d C +38943 C C B THR V 228 ? 1.2425 1.0458 0.9472 0.0283 -0.0734 -0.0078 238 THR d C +38944 O O A THR V 228 ? 1.3949 1.1985 1.0985 0.0297 -0.0753 -0.0069 238 THR d O +38945 O O B THR V 228 ? 1.3988 1.2022 1.1021 0.0298 -0.0753 -0.0070 238 THR d O +38946 C CB A THR V 228 ? 1.2841 1.0863 0.9859 0.0280 -0.0817 -0.0131 238 THR d CB +38947 C CB B THR V 228 ? 1.2856 1.0876 0.9870 0.0280 -0.0817 -0.0132 238 THR d CB +38948 O OG1 A THR V 228 ? 1.2695 1.0646 0.9604 0.0303 -0.0801 -0.0126 238 THR d OG1 +38949 O OG1 B THR V 228 ? 1.2693 1.0642 0.9599 0.0303 -0.0802 -0.0128 238 THR d OG1 +38950 C CG2 A THR V 228 ? 1.1800 0.9841 0.8854 0.0258 -0.0851 -0.0164 238 THR d CG2 +38951 C CG2 B THR V 228 ? 1.1788 0.9830 0.8842 0.0259 -0.0852 -0.0164 238 THR d CG2 +38952 N N A GLN V 229 ? 1.1494 0.9509 0.8528 0.0283 -0.0683 -0.0060 239 GLN d N +38953 N N B GLN V 229 ? 1.1482 0.9495 0.8513 0.0284 -0.0684 -0.0061 239 GLN d N +38954 C CA A GLN V 229 ? 1.1305 0.9301 0.8307 0.0298 -0.0648 -0.0030 239 GLN d CA +38955 C CA B GLN V 229 ? 1.1297 0.9294 0.8300 0.0298 -0.0648 -0.0030 239 GLN d CA +38956 C C A GLN V 229 ? 1.1478 0.9530 0.8564 0.0287 -0.0645 -0.0015 239 GLN d C +38957 C C B GLN V 229 ? 1.1477 0.9530 0.8566 0.0286 -0.0645 -0.0016 239 GLN d C +38958 O O A GLN V 229 ? 1.1380 0.9487 0.8558 0.0264 -0.0651 -0.0022 239 GLN d O +38959 O O B GLN V 229 ? 1.1384 0.9491 0.8564 0.0262 -0.0649 -0.0023 239 GLN d O +38960 C CB A GLN V 229 ? 1.1213 0.9187 0.8193 0.0298 -0.0594 -0.0017 239 GLN d CB +38961 C CB B GLN V 229 ? 1.1206 0.9179 0.8186 0.0298 -0.0594 -0.0017 239 GLN d CB +38962 C CG A GLN V 229 ? 1.1229 0.9255 0.8305 0.0273 -0.0564 -0.0011 239 GLN d CG +38963 C CG B GLN V 229 ? 1.1241 0.9265 0.8315 0.0273 -0.0564 -0.0012 239 GLN d CG +38964 C CD A GLN V 229 ? 1.1176 0.9178 0.8226 0.0275 -0.0516 -0.0003 239 GLN d CD +38965 C CD B GLN V 229 ? 1.1198 0.9199 0.8246 0.0276 -0.0515 -0.0003 239 GLN d CD +38966 O OE1 A GLN V 229 ? 1.0749 0.8713 0.7747 0.0282 -0.0517 -0.0018 239 GLN d OE1 +38967 O OE1 B GLN V 229 ? 1.0734 0.8693 0.7723 0.0284 -0.0515 -0.0017 239 GLN d OE1 +38968 N NE2 A GLN V 229 ? 1.0008 0.8030 0.7093 0.0271 -0.0473 0.0021 239 GLN d NE2 +38969 N NE2 B GLN V 229 ? 1.0009 0.8034 0.7099 0.0269 -0.0474 0.0020 239 GLN d NE2 +38970 N N A ALA V 230 ? 1.1869 0.9903 0.8921 0.0303 -0.0636 0.0007 240 ALA d N +38971 N N B ALA V 230 ? 1.1880 0.9918 0.8937 0.0302 -0.0639 0.0005 240 ALA d N +38972 C CA A ALA V 230 ? 1.0500 0.8581 0.7624 0.0295 -0.0635 0.0021 240 ALA d CA +38973 C CA B ALA V 230 ? 1.0463 0.8547 0.7592 0.0293 -0.0636 0.0020 240 ALA d CA +38974 C C A ALA V 230 ? 1.0310 0.8412 0.7481 0.0281 -0.0582 0.0044 240 ALA d C +38975 C C B ALA V 230 ? 1.0295 0.8397 0.7466 0.0281 -0.0583 0.0044 240 ALA d C +38976 O O A ALA V 230 ? 1.0786 0.8939 0.8041 0.0265 -0.0579 0.0050 240 ALA d O +38977 O O B ALA V 230 ? 1.0797 0.8951 0.8052 0.0265 -0.0578 0.0051 240 ALA d O +38978 C CB A ALA V 230 ? 1.0612 0.8664 0.7680 0.0319 -0.0652 0.0034 240 ALA d CB +38979 C CB B ALA V 230 ? 1.0591 0.8647 0.7665 0.0317 -0.0655 0.0032 240 ALA d CB +38980 N N A GLU V 231 ? 1.0517 0.8581 0.7636 0.0287 -0.0541 0.0055 241 GLU d N +38981 N N B GLU V 231 ? 1.0492 0.8556 0.7609 0.0288 -0.0542 0.0055 241 GLU d N +38982 C CA A GLU V 231 ? 1.0950 0.9030 0.8103 0.0278 -0.0490 0.0078 241 GLU d CA +38983 C CA B GLU V 231 ? 1.0930 0.9008 0.8080 0.0279 -0.0491 0.0078 241 GLU d CA +38984 C C A GLU V 231 ? 1.0842 0.8963 0.8069 0.0255 -0.0473 0.0069 241 GLU d C +38985 C C B GLU V 231 ? 1.0871 0.8991 0.8096 0.0256 -0.0473 0.0070 241 GLU d C +38986 O O A GLU V 231 ? 1.0268 0.8381 0.7486 0.0252 -0.0484 0.0050 241 GLU d O +38987 O O B GLU V 231 ? 1.0265 0.8378 0.7482 0.0253 -0.0485 0.0050 241 GLU d O +38988 C CB A GLU V 231 ? 1.1668 0.9690 0.8731 0.0295 -0.0453 0.0093 241 GLU d CB +38989 C CB B GLU V 231 ? 1.1678 0.9700 0.8740 0.0296 -0.0454 0.0094 241 GLU d CB +38990 C CG A GLU V 231 ? 1.2972 1.0946 0.9954 0.0318 -0.0465 0.0105 241 GLU d CG +38991 C CG B GLU V 231 ? 1.2984 1.0957 0.9964 0.0319 -0.0465 0.0106 241 GLU d CG +38992 C CD A GLU V 231 ? 1.4347 1.2279 1.1252 0.0337 -0.0508 0.0085 241 GLU d CD +38993 C CD B GLU V 231 ? 1.4375 1.2306 1.1279 0.0338 -0.0508 0.0086 241 GLU d CD +38994 O OE1 A GLU V 231 ? 1.2904 1.0841 0.9815 0.0332 -0.0527 0.0062 241 GLU d OE1 +38995 O OE1 B GLU V 231 ? 1.2915 1.0849 0.9822 0.0333 -0.0526 0.0063 241 GLU d OE1 +38996 O OE2 A GLU V 231 ? 1.6913 1.4804 1.3748 0.0358 -0.0522 0.0093 241 GLU d OE2 +38997 O OE2 B GLU V 231 ? 1.6981 1.4873 1.3817 0.0358 -0.0525 0.0093 241 GLU d OE2 +38998 N N A GLU V 232 ? 1.0183 0.8347 0.7484 0.0240 -0.0445 0.0085 242 GLU d N +38999 N N B GLU V 232 ? 1.0192 0.8352 0.7487 0.0241 -0.0444 0.0086 242 GLU d N +39000 C CA A GLU V 232 ? 1.0015 0.8213 0.7379 0.0222 -0.0421 0.0082 242 GLU d CA +39001 C CA B GLU V 232 ? 1.0017 0.8213 0.7377 0.0223 -0.0421 0.0082 242 GLU d CA +39002 C C A GLU V 232 ? 0.9445 0.7605 0.6752 0.0231 -0.0388 0.0082 242 GLU d C +39003 C C B GLU V 232 ? 0.9455 0.7614 0.6760 0.0232 -0.0387 0.0083 242 GLU d C +39004 O O A GLU V 232 ? 0.9309 0.7430 0.6550 0.0247 -0.0363 0.0096 242 GLU d O +39005 O O B GLU V 232 ? 0.9307 0.7425 0.6543 0.0248 -0.0364 0.0097 242 GLU d O +39006 C CB A GLU V 232 ? 0.9588 0.7831 0.7026 0.0207 -0.0393 0.0101 242 GLU d CB +39007 C CB B GLU V 232 ? 0.9575 0.7816 0.7011 0.0208 -0.0394 0.0101 242 GLU d CB +39008 C CG A GLU V 232 ? 0.9728 0.7946 0.7127 0.0217 -0.0354 0.0126 242 GLU d CG +39009 C CG B GLU V 232 ? 0.9719 0.7939 0.7120 0.0216 -0.0353 0.0126 242 GLU d CG +39010 C CD A GLU V 232 ? 1.1742 1.0004 0.9215 0.0201 -0.0327 0.0145 242 GLU d CD +39011 C CD B GLU V 232 ? 1.1802 1.0067 0.9279 0.0200 -0.0328 0.0144 242 GLU d CD +39012 O OE1 A GLU V 232 ? 1.0512 0.8824 0.8066 0.0184 -0.0341 0.0139 242 GLU d OE1 +39013 O OE1 B GLU V 232 ? 1.0523 0.8837 0.8081 0.0183 -0.0343 0.0137 242 GLU d OE1 +39014 O OE2 A GLU V 232 ? 1.0197 0.8444 0.7646 0.0206 -0.0293 0.0165 242 GLU d OE2 +39015 O OE2 B GLU V 232 ? 1.0210 0.8461 0.7665 0.0204 -0.0293 0.0165 242 GLU d OE2 +39016 N N A THR V 233 ? 0.8803 0.6972 0.6134 0.0222 -0.0387 0.0066 243 THR d N +39017 N N B THR V 233 ? 0.8795 0.6966 0.6127 0.0222 -0.0386 0.0067 243 THR d N +39018 C CA A THR V 233 ? 0.8279 0.6414 0.5559 0.0231 -0.0359 0.0063 243 THR d CA +39019 C CA B THR V 233 ? 0.8259 0.6395 0.5541 0.0231 -0.0358 0.0064 243 THR d CA +39020 C C A THR V 233 ? 0.8293 0.6451 0.5611 0.0226 -0.0309 0.0080 243 THR d C +39021 C C B THR V 233 ? 0.8285 0.6444 0.5603 0.0226 -0.0307 0.0082 243 THR d C +39022 O O A THR V 233 ? 0.8346 0.6477 0.5622 0.0236 -0.0279 0.0081 243 THR d O +39023 O O B THR V 233 ? 0.8337 0.6468 0.5611 0.0237 -0.0277 0.0083 243 THR d O +39024 C CB A THR V 233 ? 0.8452 0.6580 0.5732 0.0226 -0.0381 0.0038 243 THR d CB +39025 C CB B THR V 233 ? 0.8427 0.6558 0.5712 0.0225 -0.0381 0.0039 243 THR d CB +39026 O OG1 A THR V 233 ? 0.9104 0.7186 0.6315 0.0241 -0.0358 0.0034 243 THR d OG1 +39027 O OG1 B THR V 233 ? 0.9123 0.7204 0.6332 0.0241 -0.0363 0.0033 243 THR d OG1 +39028 C CG2 A THR V 233 ? 0.8874 0.7052 0.6247 0.0204 -0.0375 0.0034 243 THR d CG2 +39029 C CG2 B THR V 233 ? 0.8852 0.7032 0.6227 0.0204 -0.0369 0.0036 243 THR d CG2 +39030 N N A TYR V 234 ? 0.8932 0.7139 0.6328 0.0210 -0.0298 0.0093 244 TYR d N +39031 N N B TYR V 234 ? 0.8950 0.7158 0.6347 0.0210 -0.0298 0.0094 244 TYR d N +39032 C CA A TYR V 234 ? 0.7827 0.6059 0.5262 0.0205 -0.0253 0.0110 244 TYR d CA +39033 C CA B TYR V 234 ? 0.7805 0.6038 0.5241 0.0204 -0.0252 0.0110 244 TYR d CA +39034 C C A TYR V 234 ? 0.8506 0.6763 0.5974 0.0198 -0.0242 0.0130 244 TYR d C +39035 C C B TYR V 234 ? 0.8526 0.6784 0.5997 0.0198 -0.0242 0.0131 244 TYR d C +39036 O O A TYR V 234 ? 0.8027 0.6292 0.5508 0.0195 -0.0273 0.0130 244 TYR d O +39037 O O B TYR V 234 ? 0.8021 0.6288 0.5506 0.0194 -0.0273 0.0131 244 TYR d O +39038 C CB A TYR V 234 ? 0.7929 0.6202 0.5438 0.0189 -0.0248 0.0101 244 TYR d CB +39039 C CB B TYR V 234 ? 0.7929 0.6203 0.5440 0.0188 -0.0249 0.0101 244 TYR d CB +39040 C CG A TYR V 234 ? 0.8230 0.6550 0.5819 0.0169 -0.0275 0.0097 244 TYR d CG +39041 C CG B TYR V 234 ? 0.8228 0.6550 0.5819 0.0169 -0.0275 0.0098 244 TYR d CG +39042 C CD1 A TYR V 234 ? 0.8421 0.6741 0.6016 0.0164 -0.0318 0.0078 244 TYR d CD1 +39043 C CD1 B TYR V 234 ? 0.8421 0.6742 0.6018 0.0163 -0.0318 0.0078 244 TYR d CD1 +39044 C CD2 A TYR V 234 ? 0.7837 0.6203 0.5496 0.0156 -0.0256 0.0113 244 TYR d CD2 +39045 C CD2 B TYR V 234 ? 0.7830 0.6196 0.5490 0.0156 -0.0256 0.0113 244 TYR d CD2 +39046 C CE1 A TYR V 234 ? 0.8530 0.6893 0.6197 0.0146 -0.0340 0.0075 244 TYR d CE1 +39047 C CE1 B TYR V 234 ? 0.8528 0.6893 0.6198 0.0145 -0.0341 0.0075 244 TYR d CE1 +39048 C CE2 A TYR V 234 ? 0.7910 0.6317 0.5639 0.0139 -0.0279 0.0110 244 TYR d CE2 +39049 C CE2 B TYR V 234 ? 0.7888 0.6296 0.5619 0.0139 -0.0279 0.0110 244 TYR d CE2 +39050 C CZ A TYR V 234 ? 0.9160 0.7566 0.6893 0.0134 -0.0320 0.0091 244 TYR d CZ +39051 C CZ B TYR V 234 ? 0.9185 0.7592 0.6920 0.0134 -0.0320 0.0091 244 TYR d CZ +39052 O OH A TYR V 234 ? 0.8575 0.7023 0.6379 0.0118 -0.0341 0.0087 244 TYR d OH +39053 O OH B TYR V 234 ? 0.8576 0.7025 0.6381 0.0117 -0.0342 0.0088 244 TYR d OH +39054 N N A SER V 235 ? 0.8057 0.6327 0.5541 0.0196 -0.0199 0.0148 245 SER d N +39055 N N B SER V 235 ? 0.8069 0.6341 0.5556 0.0196 -0.0199 0.0148 245 SER d N +39056 C CA A SER V 235 ? 0.7176 0.5462 0.4683 0.0190 -0.0183 0.0169 245 SER d CA +39057 C CA B SER V 235 ? 0.7131 0.5417 0.4639 0.0190 -0.0183 0.0170 245 SER d CA +39058 C C A SER V 235 ? 0.8827 0.7172 0.6433 0.0169 -0.0185 0.0172 245 SER d C +39059 C C B SER V 235 ? 0.8857 0.7204 0.6465 0.0169 -0.0184 0.0172 245 SER d C +39060 O O A SER V 235 ? 0.8248 0.6626 0.5905 0.0160 -0.0158 0.0175 245 SER d O +39061 O O B SER V 235 ? 0.8251 0.6629 0.5907 0.0160 -0.0156 0.0176 245 SER d O +39062 C CB A SER V 235 ? 0.7697 0.5968 0.5172 0.0196 -0.0134 0.0186 245 SER d CB +39063 C CB B SER V 235 ? 0.7685 0.5954 0.5158 0.0197 -0.0135 0.0187 245 SER d CB +39064 O OG A SER V 235 ? 0.8487 0.6776 0.5992 0.0187 -0.0120 0.0206 245 SER d OG +39065 O OG B SER V 235 ? 0.8505 0.6796 0.6013 0.0187 -0.0117 0.0206 245 SER d OG +39066 N N A MET V 236 ? 0.7985 0.6346 0.5620 0.0163 -0.0217 0.0171 246 MET d N +39067 N N B MET V 236 ? 0.7977 0.6339 0.5613 0.0162 -0.0217 0.0171 246 MET d N +39068 C CA A MET V 236 ? 0.7732 0.6147 0.5456 0.0144 -0.0218 0.0175 246 MET d CA +39069 C CA B MET V 236 ? 0.7715 0.6130 0.5440 0.0143 -0.0217 0.0176 246 MET d CA +39070 C C A MET V 236 ? 0.8364 0.6794 0.6111 0.0137 -0.0179 0.0197 246 MET d C +39071 C C B MET V 236 ? 0.8369 0.6798 0.6114 0.0138 -0.0178 0.0197 246 MET d C +39072 O O A MET V 236 ? 0.8591 0.7064 0.6406 0.0123 -0.0162 0.0200 246 MET d O +39073 O O B MET V 236 ? 0.8608 0.7080 0.6423 0.0123 -0.0161 0.0201 246 MET d O +39074 C CB A MET V 236 ? 0.7883 0.6308 0.5626 0.0140 -0.0259 0.0170 246 MET d CB +39075 C CB B MET V 236 ? 0.7869 0.6293 0.5611 0.0141 -0.0258 0.0171 246 MET d CB +39076 C CG A MET V 236 ? 1.0160 0.8638 0.7993 0.0121 -0.0264 0.0171 246 MET d CG +39077 C CG B MET V 236 ? 1.0193 0.8670 0.8025 0.0122 -0.0264 0.0171 246 MET d CG +39078 S SD A MET V 236 ? 0.9128 0.7639 0.7017 0.0108 -0.0276 0.0150 246 MET d SD +39079 S SD B MET V 236 ? 0.9196 0.7706 0.7084 0.0108 -0.0278 0.0151 246 MET d SD +39080 C CE A MET V 236 ? 0.8522 0.7090 0.6506 0.0088 -0.0281 0.0157 246 MET d CE +39081 C CE B MET V 236 ? 0.8515 0.7082 0.6498 0.0088 -0.0283 0.0157 246 MET d CE +39082 N N A VAL V 237 ? 0.8661 0.7053 0.6347 0.0148 -0.0163 0.0211 247 VAL d N +39083 N N B VAL V 237 ? 0.8675 0.7067 0.6359 0.0148 -0.0162 0.0212 247 VAL d N +39084 C CA A VAL V 237 ? 0.9034 0.7437 0.6736 0.0141 -0.0125 0.0232 247 VAL d CA +39085 C CA B VAL V 237 ? 0.9051 0.7455 0.6755 0.0140 -0.0125 0.0232 247 VAL d CA +39086 C C A VAL V 237 ? 0.8286 0.6710 0.6011 0.0137 -0.0085 0.0234 247 VAL d C +39087 C C B VAL V 237 ? 0.8288 0.6712 0.6014 0.0136 -0.0084 0.0235 247 VAL d C +39088 O O A VAL V 237 ? 0.8172 0.6635 0.5960 0.0122 -0.0063 0.0242 247 VAL d O +39089 O O B VAL V 237 ? 0.8171 0.6635 0.5960 0.0122 -0.0062 0.0243 247 VAL d O +39090 C CB A VAL V 237 ? 0.9276 0.7627 0.6899 0.0154 -0.0116 0.0246 247 VAL d CB +39091 C CB B VAL V 237 ? 0.9307 0.7661 0.6935 0.0153 -0.0116 0.0247 247 VAL d CB +39092 C CG1 A VAL V 237 ? 0.7531 0.5889 0.5166 0.0145 -0.0071 0.0267 247 VAL d CG1 +39093 C CG1 B VAL V 237 ? 0.7496 0.5856 0.5135 0.0144 -0.0071 0.0268 247 VAL d CG1 +39094 C CG2 A VAL V 237 ? 0.9167 0.7505 0.6778 0.0158 -0.0154 0.0246 247 VAL d CG2 +39095 C CG2 B VAL V 237 ? 0.9118 0.7462 0.6740 0.0156 -0.0154 0.0247 247 VAL d CG2 +39096 N N A THR V 238 ? 0.7597 0.5992 0.5271 0.0150 -0.0076 0.0226 248 THR d N +39097 N N B THR V 238 ? 0.7583 0.5978 0.5257 0.0150 -0.0074 0.0226 248 THR d N +39098 C CA A THR V 238 ? 0.8117 0.6532 0.5811 0.0149 -0.0038 0.0226 248 THR d CA +39099 C CA B THR V 238 ? 0.8111 0.6526 0.5805 0.0148 -0.0037 0.0227 248 THR d CA +39100 C C A THR V 238 ? 0.8108 0.6572 0.5881 0.0137 -0.0048 0.0215 248 THR d C +39101 C C B THR V 238 ? 0.8136 0.6599 0.5908 0.0137 -0.0046 0.0216 248 THR d C +39102 O O A THR V 238 ? 0.7642 0.6144 0.5468 0.0129 -0.0020 0.0220 248 THR d O +39103 O O B THR V 238 ? 0.7659 0.6160 0.5484 0.0129 -0.0018 0.0221 248 THR d O +39104 C CB A THR V 238 ? 0.7400 0.5770 0.5016 0.0168 -0.0026 0.0220 248 THR d CB +39105 C CB B THR V 238 ? 0.7385 0.5755 0.5000 0.0168 -0.0025 0.0221 248 THR d CB +39106 O OG1 A THR V 238 ? 0.8062 0.6394 0.5614 0.0176 -0.0004 0.0235 248 THR d OG1 +39107 O OG1 B THR V 238 ? 0.8079 0.6406 0.5624 0.0177 -0.0008 0.0235 248 THR d OG1 +39108 C CG2 A THR V 238 ? 0.7831 0.6225 0.5473 0.0169 0.0006 0.0216 248 THR d CG2 +39109 C CG2 B THR V 238 ? 0.7791 0.6184 0.5430 0.0169 0.0011 0.0219 248 THR d CG2 +39110 N N A ALA V 239 ? 0.7868 0.6331 0.5650 0.0136 -0.0087 0.0199 249 ALA d N +39111 N N B ALA V 239 ? 0.7862 0.6325 0.5644 0.0136 -0.0085 0.0199 249 ALA d N +39112 C CA A ALA V 239 ? 0.7799 0.6304 0.5652 0.0124 -0.0097 0.0188 249 ALA d CA +39113 C CA B ALA V 239 ? 0.7796 0.6301 0.5648 0.0125 -0.0095 0.0189 249 ALA d CA +39114 C C A ALA V 239 ? 0.8541 0.7093 0.6470 0.0107 -0.0091 0.0199 249 ALA d C +39115 C C B ALA V 239 ? 0.8571 0.7123 0.6500 0.0107 -0.0089 0.0200 249 ALA d C +39116 O O A ALA V 239 ? 0.8280 0.6870 0.6266 0.0098 -0.0075 0.0199 249 ALA d O +39117 O O B ALA V 239 ? 0.8302 0.6892 0.6288 0.0098 -0.0073 0.0200 249 ALA d O +39118 C CB A ALA V 239 ? 0.7520 0.6014 0.5367 0.0124 -0.0141 0.0170 249 ALA d CB +39119 C CB B ALA V 239 ? 0.7522 0.6015 0.5367 0.0125 -0.0138 0.0170 249 ALA d CB +39120 N N A ASN V 240 ? 0.7689 0.6239 0.5618 0.0102 -0.0104 0.0208 250 ASN d N +39121 N N B ASN V 240 ? 0.7684 0.6234 0.5613 0.0102 -0.0102 0.0209 250 ASN d N +39122 C CA A ASN V 240 ? 0.7559 0.6149 0.5556 0.0085 -0.0099 0.0219 250 ASN d CA +39123 C CA B ASN V 240 ? 0.7557 0.6148 0.5555 0.0085 -0.0098 0.0219 250 ASN d CA +39124 C C A ASN V 240 ? 0.7936 0.6545 0.5954 0.0080 -0.0056 0.0233 250 ASN d C +39125 C C B ASN V 240 ? 0.7945 0.6556 0.5965 0.0080 -0.0056 0.0233 250 ASN d C +39126 O O A ASN V 240 ? 0.7359 0.6012 0.5445 0.0066 -0.0047 0.0236 250 ASN d O +39127 O O B ASN V 240 ? 0.7363 0.6018 0.5451 0.0067 -0.0046 0.0235 250 ASN d O +39128 C CB A ASN V 240 ? 0.7175 0.5750 0.5156 0.0085 -0.0121 0.0226 250 ASN d CB +39129 C CB B ASN V 240 ? 0.7162 0.5739 0.5145 0.0085 -0.0120 0.0226 250 ASN d CB +39130 C CG A ASN V 240 ? 0.8310 0.6921 0.6352 0.0069 -0.0112 0.0238 250 ASN d CG +39131 C CG B ASN V 240 ? 0.8325 0.6936 0.6368 0.0069 -0.0109 0.0239 250 ASN d CG +39132 O OD1 A ASN V 240 ? 0.7818 0.6427 0.5856 0.0066 -0.0082 0.0254 250 ASN d OD1 +39133 O OD1 B ASN V 240 ? 0.7846 0.6453 0.5881 0.0066 -0.0079 0.0255 250 ASN d OD1 +39134 N ND2 A ASN V 240 ? 0.7400 0.6041 0.5497 0.0059 -0.0138 0.0231 250 ASN d ND2 +39135 N ND2 B ASN V 240 ? 0.7378 0.6021 0.5477 0.0058 -0.0134 0.0233 250 ASN d ND2 +39136 N N A ARG V 241 ? 0.7988 0.6565 0.5948 0.0090 -0.0030 0.0243 251 ARG d N +39137 N N B ARG V 241 ? 0.7999 0.6579 0.5962 0.0089 -0.0029 0.0243 251 ARG d N +39138 C CA A ARG V 241 ? 0.7766 0.6364 0.5748 0.0084 0.0012 0.0256 251 ARG d CA +39139 C CA B ARG V 241 ? 0.7755 0.6357 0.5742 0.0083 0.0013 0.0256 251 ARG d CA +39140 C C A ARG V 241 ? 0.6842 0.5474 0.4865 0.0084 0.0029 0.0248 251 ARG d C +39141 C C B ARG V 241 ? 0.6792 0.5426 0.4818 0.0083 0.0030 0.0247 251 ARG d C +39142 O O A ARG V 241 ? 0.7519 0.6194 0.5603 0.0072 0.0049 0.0253 251 ARG d O +39143 O O B ARG V 241 ? 0.7547 0.6224 0.5634 0.0072 0.0050 0.0253 251 ARG d O +39144 C CB A ARG V 241 ? 0.7843 0.6399 0.5753 0.0094 0.0039 0.0267 251 ARG d CB +39145 C CB B ARG V 241 ? 0.7846 0.6406 0.5761 0.0093 0.0041 0.0267 251 ARG d CB +39146 C CG A ARG V 241 ? 0.8279 0.6862 0.6222 0.0082 0.0080 0.0282 251 ARG d CG +39147 C CG B ARG V 241 ? 0.8289 0.6875 0.6236 0.0082 0.0083 0.0282 251 ARG d CG +39148 C CD A ARG V 241 ? 0.9766 0.8314 0.7646 0.0090 0.0115 0.0293 251 ARG d CD +39149 C CD B ARG V 241 ? 0.9845 0.8391 0.7724 0.0089 0.0114 0.0294 251 ARG d CD +39150 N NE A ARG V 241 ? 0.9068 0.7641 0.6982 0.0075 0.0153 0.0308 251 ARG d NE +39151 N NE B ARG V 241 ? 0.9074 0.7645 0.6986 0.0075 0.0153 0.0309 251 ARG d NE +39152 C CZ A ARG V 241 ? 0.8731 0.7288 0.6632 0.0065 0.0162 0.0323 251 ARG d CZ +39153 C CZ B ARG V 241 ? 0.8753 0.7310 0.6656 0.0064 0.0161 0.0324 251 ARG d CZ +39154 N NH1 A ARG V 241 ? 0.8584 0.7103 0.6446 0.0069 0.0133 0.0327 251 ARG d NH1 +39155 N NH1 B ARG V 241 ? 0.8538 0.7059 0.6405 0.0067 0.0132 0.0328 251 ARG d NH1 +39156 N NH2 A ARG V 241 ? 0.8788 0.7366 0.6715 0.0052 0.0201 0.0335 251 ARG d NH2 +39157 N NH2 B ARG V 241 ? 0.8825 0.7403 0.6755 0.0050 0.0200 0.0336 251 ARG d NH2 +39158 N N A PHE V 242 ? 0.7274 0.5885 0.5261 0.0098 0.0022 0.0234 252 PHE d N +39159 N N B PHE V 242 ? 0.7267 0.5880 0.5257 0.0097 0.0022 0.0234 252 PHE d N +39160 C CA A PHE V 242 ? 0.7631 0.6267 0.5649 0.0101 0.0038 0.0225 252 PHE d CA +39161 C CA B PHE V 242 ? 0.7647 0.6285 0.5668 0.0101 0.0037 0.0225 252 PHE d CA +39162 C C A PHE V 242 ? 0.7649 0.6333 0.5748 0.0087 0.0024 0.0221 252 PHE d C +39163 C C B PHE V 242 ? 0.7664 0.6350 0.5766 0.0087 0.0024 0.0221 252 PHE d C +39164 O O A PHE V 242 ? 0.7251 0.5975 0.5401 0.0081 0.0047 0.0225 252 PHE d O +39165 O O B PHE V 242 ? 0.7268 0.5993 0.5420 0.0082 0.0047 0.0224 252 PHE d O +39166 C CB A PHE V 242 ? 0.6368 0.4968 0.4331 0.0118 0.0023 0.0210 252 PHE d CB +39167 C CB B PHE V 242 ? 0.6340 0.4941 0.4306 0.0118 0.0023 0.0209 252 PHE d CB +39168 C CG A PHE V 242 ? 0.7133 0.5752 0.5123 0.0124 0.0034 0.0199 252 PHE d CG +39169 C CG B PHE V 242 ? 0.7139 0.5760 0.5133 0.0123 0.0032 0.0198 252 PHE d CG +39170 C CD1 A PHE V 242 ? 0.6898 0.5516 0.4869 0.0136 0.0069 0.0201 252 PHE d CD1 +39171 C CD1 B PHE V 242 ? 0.6865 0.5488 0.4843 0.0135 0.0068 0.0200 252 PHE d CD1 +39172 C CD2 A PHE V 242 ? 0.7221 0.5858 0.5252 0.0118 0.0008 0.0186 252 PHE d CD2 +39173 C CD2 B PHE V 242 ? 0.7213 0.5850 0.5247 0.0117 0.0006 0.0186 252 PHE d CD2 +39174 C CE1 A PHE V 242 ? 0.7259 0.5893 0.5252 0.0145 0.0078 0.0190 252 PHE d CE1 +39175 C CE1 B PHE V 242 ? 0.7312 0.5951 0.5312 0.0143 0.0076 0.0190 252 PHE d CE1 +39176 C CE2 A PHE V 242 ? 0.7014 0.5663 0.5065 0.0124 0.0016 0.0177 252 PHE d CE2 +39177 C CE2 B PHE V 242 ? 0.6980 0.5631 0.5035 0.0123 0.0014 0.0176 252 PHE d CE2 +39178 C CZ A PHE V 242 ? 0.7798 0.6445 0.5829 0.0139 0.0050 0.0178 252 PHE d CZ +39179 C CZ B PHE V 242 ? 0.7798 0.6449 0.5836 0.0138 0.0048 0.0178 252 PHE d CZ +39180 N N A TRP V 243 ? 0.6934 0.5616 0.5046 0.0081 -0.0013 0.0213 253 TRP d N +39181 N N B TRP V 243 ? 0.6912 0.5596 0.5027 0.0080 -0.0013 0.0213 253 TRP d N +39182 C CA A TRP V 243 ? 0.6911 0.5634 0.5095 0.0068 -0.0027 0.0208 253 TRP d CA +39183 C CA B TRP V 243 ? 0.6902 0.5628 0.5090 0.0067 -0.0026 0.0208 253 TRP d CA +39184 C C A TRP V 243 ? 0.8224 0.6985 0.6464 0.0052 -0.0016 0.0221 253 TRP d C +39185 C C B TRP V 243 ? 0.8268 0.7030 0.6511 0.0051 -0.0016 0.0222 253 TRP d C +39186 O O A TRP V 243 ? 0.7151 0.5952 0.5451 0.0043 -0.0009 0.0221 253 TRP d O +39187 O O B TRP V 243 ? 0.7148 0.5951 0.5452 0.0042 -0.0010 0.0221 253 TRP d O +39188 C CB A TRP V 243 ? 0.6973 0.5683 0.5154 0.0064 -0.0067 0.0195 253 TRP d CB +39189 C CB B TRP V 243 ? 0.6967 0.5680 0.5152 0.0064 -0.0067 0.0195 253 TRP d CB +39190 C CG A TRP V 243 ? 0.6963 0.5649 0.5111 0.0076 -0.0077 0.0179 253 TRP d CG +39191 C CG B TRP V 243 ? 0.6949 0.5636 0.5099 0.0075 -0.0077 0.0179 253 TRP d CG +39192 C CD1 A TRP V 243 ? 0.7413 0.6054 0.5497 0.0086 -0.0096 0.0169 253 TRP d CD1 +39193 C CD1 B TRP V 243 ? 0.7418 0.6062 0.5507 0.0085 -0.0098 0.0169 253 TRP d CD1 +39194 C CD2 A TRP V 243 ? 0.7626 0.6324 0.5795 0.0079 -0.0066 0.0171 253 TRP d CD2 +39195 C CD2 B TRP V 243 ? 0.7638 0.6337 0.5808 0.0079 -0.0066 0.0171 253 TRP d CD2 +39196 N NE1 A TRP V 243 ? 0.7489 0.6115 0.5557 0.0094 -0.0099 0.0155 253 TRP d NE1 +39197 N NE1 B TRP V 243 ? 0.7489 0.6117 0.5560 0.0093 -0.0100 0.0155 253 TRP d NE1 +39198 C CE2 A TRP V 243 ? 0.7613 0.6273 0.5731 0.0091 -0.0080 0.0156 253 TRP d CE2 +39199 C CE2 B TRP V 243 ? 0.7623 0.6283 0.5742 0.0090 -0.0081 0.0156 253 TRP d CE2 +39200 C CE3 A TRP V 243 ? 0.7196 0.5935 0.5423 0.0074 -0.0048 0.0174 253 TRP d CE3 +39201 C CE3 B TRP V 243 ? 0.7206 0.5944 0.5432 0.0075 -0.0047 0.0174 253 TRP d CE3 +39202 C CZ2 A TRP V 243 ? 0.7324 0.5981 0.5444 0.0098 -0.0074 0.0145 253 TRP d CZ2 +39203 C CZ2 B TRP V 243 ? 0.7327 0.5984 0.5448 0.0098 -0.0075 0.0145 253 TRP d CZ2 +39204 C CZ3 A TRP V 243 ? 0.6931 0.5668 0.5160 0.0083 -0.0043 0.0164 253 TRP d CZ3 +39205 C CZ3 B TRP V 243 ? 0.6925 0.5662 0.5153 0.0084 -0.0042 0.0164 253 TRP d CZ3 +39206 C CH2 A TRP V 243 ? 0.7084 0.5780 0.5260 0.0094 -0.0056 0.0150 253 TRP d CH2 +39207 C CH2 B TRP V 243 ? 0.7086 0.5780 0.5260 0.0095 -0.0056 0.0150 253 TRP d CH2 +39208 N N A SER V 244 ? 0.7893 0.6639 0.6111 0.0049 -0.0013 0.0233 254 SER d N +39209 N N B SER V 244 ? 0.7910 0.6658 0.6131 0.0048 -0.0013 0.0234 254 SER d N +39210 C CA A SER V 244 ? 0.7489 0.6266 0.5756 0.0033 -0.0001 0.0246 254 SER d CA +39211 C CA B SER V 244 ? 0.7484 0.6262 0.5753 0.0032 0.0000 0.0247 254 SER d CA +39212 C C A SER V 244 ? 0.7471 0.6278 0.5767 0.0030 0.0037 0.0253 254 SER d C +39213 C C B SER V 244 ? 0.7465 0.6274 0.5764 0.0029 0.0038 0.0253 254 SER d C +39214 O O A SER V 244 ? 0.7569 0.6417 0.5928 0.0017 0.0044 0.0257 254 SER d O +39215 O O B SER V 244 ? 0.7593 0.6442 0.5953 0.0016 0.0045 0.0258 254 SER d O +39216 C CB A SER V 244 ? 0.7775 0.6521 0.6001 0.0033 -0.0002 0.0258 254 SER d CB +39217 C CB B SER V 244 ? 0.7768 0.6518 0.6000 0.0031 -0.0003 0.0259 254 SER d CB +39218 O OG A SER V 244 ? 0.7830 0.6554 0.6035 0.0036 -0.0039 0.0252 254 SER d OG +39219 O OG B SER V 244 ? 0.7852 0.6575 0.6054 0.0037 -0.0039 0.0251 254 SER d OG +39220 N N A GLN V 245 ? 0.7328 0.6116 0.5581 0.0043 0.0062 0.0254 255 GLN d N +39221 N N B GLN V 245 ? 0.7327 0.6117 0.5583 0.0042 0.0062 0.0254 255 GLN d N +39222 C CA A GLN V 245 ? 0.8171 0.6989 0.6450 0.0042 0.0100 0.0259 255 GLN d CA +39223 C CA B GLN V 245 ? 0.8193 0.7013 0.6475 0.0041 0.0100 0.0259 255 GLN d CA +39224 C C A GLN V 245 ? 0.7334 0.6184 0.5653 0.0047 0.0102 0.0248 255 GLN d C +39225 C C B GLN V 245 ? 0.7337 0.6188 0.5657 0.0047 0.0103 0.0248 255 GLN d C +39226 O O A GLN V 245 ? 0.7319 0.6210 0.5685 0.0043 0.0126 0.0251 255 GLN d O +39227 O O B GLN V 245 ? 0.7331 0.6223 0.5698 0.0042 0.0126 0.0251 255 GLN d O +39228 C CB A GLN V 245 ? 0.7779 0.6564 0.5994 0.0053 0.0128 0.0265 255 GLN d CB +39229 C CB B GLN V 245 ? 0.7788 0.6573 0.6005 0.0053 0.0128 0.0265 255 GLN d CB +39230 C CG A GLN V 245 ? 0.7594 0.6350 0.5773 0.0046 0.0136 0.0280 255 GLN d CG +39231 C CG B GLN V 245 ? 0.7555 0.6308 0.5731 0.0047 0.0132 0.0279 255 GLN d CG +39232 C CD A GLN V 245 ? 0.7861 0.6584 0.5976 0.0057 0.0168 0.0287 255 GLN d CD +39233 C CD B GLN V 245 ? 0.7872 0.6596 0.5989 0.0056 0.0167 0.0287 255 GLN d CD +39234 O OE1 A GLN V 245 ? 0.8062 0.6742 0.6112 0.0073 0.0159 0.0281 255 GLN d OE1 +39235 O OE1 B GLN V 245 ? 0.8041 0.6722 0.6091 0.0073 0.0162 0.0282 255 GLN d OE1 +39236 N NE2 A GLN V 245 ? 0.7863 0.6607 0.5998 0.0048 0.0205 0.0298 255 GLN d NE2 +39237 N NE2 B GLN V 245 ? 0.7953 0.6701 0.6095 0.0045 0.0202 0.0299 255 GLN d NE2 +39238 N N A ILE V 246 ? 0.7003 0.5833 0.5301 0.0058 0.0078 0.0234 256 ILE d N +39239 N N B ILE V 246 ? 0.6990 0.5821 0.5289 0.0058 0.0079 0.0234 256 ILE d N +39240 C CA A ILE V 246 ? 0.7388 0.6241 0.5717 0.0065 0.0079 0.0223 256 ILE d CA +39241 C CA B ILE V 246 ? 0.7393 0.6246 0.5722 0.0065 0.0079 0.0223 256 ILE d CA +39242 C C A ILE V 246 ? 0.8022 0.6910 0.6417 0.0051 0.0059 0.0220 256 ILE d C +39243 C C B ILE V 246 ? 0.8053 0.6942 0.6449 0.0051 0.0059 0.0220 256 ILE d C +39244 O O A ILE V 246 ? 0.7240 0.6167 0.5685 0.0049 0.0070 0.0219 256 ILE d O +39245 O O B ILE V 246 ? 0.7249 0.6176 0.5695 0.0049 0.0070 0.0219 256 ILE d O +39246 C CB A ILE V 246 ? 0.7510 0.6321 0.5784 0.0081 0.0063 0.0209 256 ILE d CB +39247 C CB B ILE V 246 ? 0.7529 0.6341 0.5803 0.0081 0.0064 0.0209 256 ILE d CB +39248 C CG1 A ILE V 246 ? 0.7129 0.5909 0.5341 0.0098 0.0088 0.0210 256 ILE d CG1 +39249 C CG1 B ILE V 246 ? 0.7132 0.5913 0.5344 0.0098 0.0089 0.0210 256 ILE d CG1 +39250 C CG2 A ILE V 246 ? 0.6511 0.5339 0.4820 0.0085 0.0051 0.0196 256 ILE d CG2 +39251 C CG2 B ILE V 246 ? 0.6501 0.5330 0.4809 0.0085 0.0053 0.0197 256 ILE d CG2 +39252 C CD1 A ILE V 246 ? 0.6806 0.5616 0.5040 0.0107 0.0124 0.0211 256 ILE d CD1 +39253 C CD1 B ILE V 246 ? 0.6798 0.5608 0.5031 0.0107 0.0124 0.0211 256 ILE d CD1 +39254 N N A PHE V 247 ? 0.7539 0.6414 0.5934 0.0041 0.0029 0.0219 257 PHE d N +39255 N N B PHE V 247 ? 0.7565 0.6440 0.5959 0.0042 0.0028 0.0218 257 PHE d N +39256 C CA A PHE V 247 ? 0.7185 0.6084 0.5631 0.0030 0.0006 0.0213 257 PHE d CA +39257 C CA B PHE V 247 ? 0.7188 0.6087 0.5634 0.0030 0.0005 0.0213 257 PHE d CA +39258 C C A PHE V 247 ? 0.6981 0.5902 0.5465 0.0012 -0.0001 0.0223 257 PHE d C +39259 C C B PHE V 247 ? 0.6975 0.5897 0.5461 0.0012 0.0000 0.0223 257 PHE d C +39260 O O A PHE V 247 ? 0.7631 0.6578 0.6164 0.0002 -0.0015 0.0221 257 PHE d O +39261 O O B PHE V 247 ? 0.7648 0.6599 0.6185 0.0002 -0.0012 0.0221 257 PHE d O +39262 C CB A PHE V 247 ? 0.6577 0.5446 0.4995 0.0033 -0.0026 0.0200 257 PHE d CB +39263 C CB B PHE V 247 ? 0.6568 0.5437 0.4987 0.0033 -0.0027 0.0200 257 PHE d CB +39264 C CG A PHE V 247 ? 0.7015 0.5905 0.5481 0.0023 -0.0047 0.0193 257 PHE d CG +39265 C CG B PHE V 247 ? 0.7022 0.5914 0.5490 0.0023 -0.0048 0.0193 257 PHE d CG +39266 C CD1 A PHE V 247 ? 0.7096 0.6009 0.5596 0.0026 -0.0039 0.0188 257 PHE d CD1 +39267 C CD1 B PHE V 247 ? 0.7105 0.6021 0.5608 0.0025 -0.0038 0.0189 257 PHE d CD1 +39268 C CD2 A PHE V 247 ? 0.6959 0.5846 0.5435 0.0012 -0.0076 0.0190 257 PHE d CD2 +39269 C CD2 B PHE V 247 ? 0.6961 0.5848 0.5438 0.0012 -0.0077 0.0189 257 PHE d CD2 +39270 C CE1 A PHE V 247 ? 0.7057 0.5986 0.5597 0.0016 -0.0057 0.0182 257 PHE d CE1 +39271 C CE1 B PHE V 247 ? 0.7053 0.5985 0.5596 0.0016 -0.0056 0.0183 257 PHE d CE1 +39272 C CE2 A PHE V 247 ? 0.7011 0.5916 0.5529 0.0002 -0.0094 0.0183 257 PHE d CE2 +39273 C CE2 B PHE V 247 ? 0.7008 0.5913 0.5527 0.0001 -0.0094 0.0182 257 PHE d CE2 +39274 C CZ A PHE V 247 ? 0.6967 0.5891 0.5515 0.0003 -0.0084 0.0179 257 PHE d CZ +39275 C CZ B PHE V 247 ? 0.6958 0.5885 0.5509 0.0003 -0.0083 0.0180 257 PHE d CZ +39276 N N . GLY V 248 ? 0.6844 0.5752 0.5305 0.0009 0.0009 0.0235 258 GLY d N +39277 C CA . GLY V 248 ? 0.6010 0.4936 0.4505 -0.0006 0.0006 0.0244 258 GLY d CA +39278 C C . GLY V 248 ? 0.7519 0.6417 0.5988 -0.0008 -0.0023 0.0244 258 GLY d C +39279 O O . GLY V 248 ? 0.7426 0.6316 0.5888 -0.0015 -0.0021 0.0254 258 GLY d O +39280 N N A ILE V 249 ? 0.6743 0.5625 0.5197 -0.0003 -0.0050 0.0231 259 ILE d N +39281 N N B ILE V 249 ? 0.6725 0.5607 0.5179 -0.0003 -0.0050 0.0231 259 ILE d N +39282 C CA A ILE V 249 ? 0.7653 0.6514 0.6086 -0.0003 -0.0080 0.0228 259 ILE d CA +39283 C CA B ILE V 249 ? 0.7660 0.6519 0.6091 -0.0003 -0.0079 0.0228 259 ILE d CA +39284 C C A ILE V 249 ? 0.7820 0.6643 0.6197 0.0010 -0.0094 0.0217 259 ILE d C +39285 C C B ILE V 249 ? 0.7835 0.6657 0.6208 0.0011 -0.0093 0.0217 259 ILE d C +39286 O O A ILE V 249 ? 0.7935 0.6754 0.6301 0.0018 -0.0087 0.0209 259 ILE d O +39287 O O B ILE V 249 ? 0.7955 0.6772 0.6315 0.0019 -0.0084 0.0210 259 ILE d O +39288 C CB A ILE V 249 ? 0.7553 0.6441 0.6041 -0.0017 -0.0104 0.0223 259 ILE d CB +39289 C CB B ILE V 249 ? 0.7564 0.6450 0.6048 -0.0016 -0.0104 0.0222 259 ILE d CB +39290 C CG1 A ILE V 249 ? 0.7285 0.6186 0.5796 -0.0017 -0.0112 0.0209 259 ILE d CG1 +39291 C CG1 B ILE V 249 ? 0.7296 0.6196 0.5805 -0.0016 -0.0111 0.0209 259 ILE d CG1 +39292 C CG2 A ILE V 249 ? 0.7856 0.6777 0.6395 -0.0030 -0.0090 0.0233 259 ILE d CG2 +39293 C CG2 B ILE V 249 ? 0.7815 0.6733 0.6350 -0.0029 -0.0094 0.0233 259 ILE d CG2 +39294 C CD1 A ILE V 249 ? 0.8009 0.6900 0.6517 -0.0020 -0.0145 0.0197 259 ILE d CD1 +39295 C CD1 B ILE V 249 ? 0.8022 0.6915 0.6534 -0.0020 -0.0144 0.0197 259 ILE d CD1 +39296 N N A ALA V 250 ? 0.7083 0.5879 0.5423 0.0014 -0.0117 0.0215 260 ALA d N +39297 N N B ALA V 250 ? 0.7072 0.5867 0.5411 0.0015 -0.0117 0.0215 260 ALA d N +39298 C CA A ALA V 250 ? 0.7450 0.6208 0.5732 0.0027 -0.0133 0.0204 260 ALA d CA +39299 C CA B ALA V 250 ? 0.7470 0.6227 0.5750 0.0028 -0.0133 0.0205 260 ALA d CA +39300 C C A ALA V 250 ? 0.7582 0.6332 0.5859 0.0026 -0.0169 0.0198 260 ALA d C +39301 C C B ALA V 250 ? 0.7598 0.6346 0.5871 0.0026 -0.0169 0.0198 260 ALA d C +39302 O O A ALA V 250 ? 0.7819 0.6580 0.6116 0.0019 -0.0175 0.0206 260 ALA d O +39303 O O B ALA V 250 ? 0.7824 0.6585 0.6121 0.0019 -0.0176 0.0206 260 ALA d O +39304 C CB A ALA V 250 ? 0.6899 0.5621 0.5115 0.0041 -0.0112 0.0213 260 ALA d CB +39305 C CB B ALA V 250 ? 0.6874 0.5594 0.5087 0.0042 -0.0111 0.0213 260 ALA d CB +39306 N N A PHE V 251 ? 0.7246 0.5975 0.5494 0.0032 -0.0193 0.0183 261 PHE d N +39307 N N B PHE V 251 ? 0.7232 0.5958 0.5474 0.0033 -0.0192 0.0183 261 PHE d N +39308 C CA A PHE V 251 ? 0.7231 0.5946 0.5460 0.0034 -0.0226 0.0176 261 PHE d CA +39309 C CA B PHE V 251 ? 0.7224 0.5937 0.5449 0.0035 -0.0226 0.0176 261 PHE d CA +39310 C C A PHE V 251 ? 0.8050 0.6730 0.6219 0.0047 -0.0222 0.0187 261 PHE d C +39311 C C B PHE V 251 ? 0.8072 0.6751 0.6239 0.0048 -0.0223 0.0187 261 PHE d C +39312 O O A PHE V 251 ? 0.7442 0.6095 0.5563 0.0058 -0.0199 0.0193 261 PHE d O +39313 O O B PHE V 251 ? 0.7432 0.6083 0.5549 0.0059 -0.0200 0.0193 261 PHE d O +39314 C CB A PHE V 251 ? 0.7408 0.6106 0.5614 0.0038 -0.0252 0.0156 261 PHE d CB +39315 C CB B PHE V 251 ? 0.7405 0.6100 0.5606 0.0039 -0.0251 0.0156 261 PHE d CB +39316 C CG A PHE V 251 ? 0.7956 0.6684 0.6218 0.0023 -0.0263 0.0144 261 PHE d CG +39317 C CG B PHE V 251 ? 0.7979 0.6705 0.6237 0.0024 -0.0263 0.0144 261 PHE d CG +39318 C CD1 A PHE V 251 ? 0.7344 0.6099 0.5653 0.0011 -0.0287 0.0139 261 PHE d CD1 +39319 C CD1 B PHE V 251 ? 0.7340 0.6092 0.5643 0.0013 -0.0288 0.0139 261 PHE d CD1 +39320 C CD2 A PHE V 251 ? 0.7886 0.6612 0.6151 0.0023 -0.0250 0.0137 261 PHE d CD2 +39321 C CD2 B PHE V 251 ? 0.7894 0.6619 0.6157 0.0023 -0.0251 0.0137 261 PHE d CD2 +39322 C CE1 A PHE V 251 ? 0.7764 0.6543 0.6120 -0.0003 -0.0296 0.0128 261 PHE d CE1 +39323 C CE1 B PHE V 251 ? 0.7793 0.6570 0.6145 -0.0002 -0.0298 0.0128 261 PHE d CE1 +39324 C CE2 A PHE V 251 ? 0.7191 0.5938 0.5502 0.0009 -0.0260 0.0127 261 PHE d CE2 +39325 C CE2 B PHE V 251 ? 0.7184 0.5931 0.5494 0.0009 -0.0261 0.0126 261 PHE d CE2 +39326 C CZ A PHE V 251 ? 0.7468 0.6241 0.5824 -0.0004 -0.0282 0.0122 261 PHE d CZ +39327 C CZ B PHE V 251 ? 0.7481 0.6253 0.5834 -0.0004 -0.0285 0.0122 261 PHE d CZ +39328 N N A SER V 252 ? 0.7436 0.6115 0.5606 0.0048 -0.0243 0.0190 262 SER d N +39329 N N B SER V 252 ? 0.7427 0.6108 0.5599 0.0048 -0.0244 0.0190 262 SER d N +39330 C CA A SER V 252 ? 0.8208 0.6848 0.6314 0.0062 -0.0248 0.0198 262 SER d CA +39331 C CA B SER V 252 ? 0.8221 0.6862 0.6329 0.0062 -0.0249 0.0198 262 SER d CA +39332 C C A SER V 252 ? 0.8767 0.7393 0.6850 0.0070 -0.0289 0.0185 262 SER d C +39333 C C B SER V 252 ? 0.8799 0.7428 0.6886 0.0070 -0.0290 0.0185 262 SER d C +39334 O O A SER V 252 ? 0.8691 0.7279 0.6711 0.0086 -0.0298 0.0188 262 SER d O +39335 O O B SER V 252 ? 0.8616 0.7208 0.6643 0.0085 -0.0299 0.0190 262 SER d O +39336 C CB A SER V 252 ? 0.7719 0.6364 0.5838 0.0059 -0.0232 0.0217 262 SER d CB +39337 C CB B SER V 252 ? 0.7697 0.6344 0.5820 0.0058 -0.0233 0.0217 262 SER d CB +39338 O OG A SER V 252 ? 0.7688 0.6359 0.5854 0.0052 -0.0257 0.0214 262 SER d OG +39339 O OG B SER V 252 ? 0.7661 0.6336 0.5832 0.0050 -0.0256 0.0214 262 SER d OG +39340 N N A ASN V 253 ? 0.8174 0.6832 0.6307 0.0060 -0.0315 0.0170 263 ASN d N +39341 N N B ASN V 253 ? 0.8177 0.6835 0.6310 0.0060 -0.0316 0.0170 263 ASN d N +39342 C CA A ASN V 253 ? 0.8181 0.6835 0.6304 0.0066 -0.0355 0.0156 263 ASN d CA +39343 C CA B ASN V 253 ? 0.8183 0.6838 0.6307 0.0066 -0.0356 0.0156 263 ASN d CA +39344 C C A ASN V 253 ? 0.8634 0.7287 0.6754 0.0063 -0.0372 0.0135 263 ASN d C +39345 C C B ASN V 253 ? 0.8649 0.7302 0.6769 0.0063 -0.0374 0.0135 263 ASN d C +39346 O O A ASN V 253 ? 0.8061 0.6744 0.6234 0.0047 -0.0371 0.0127 263 ASN d O +39347 O O B ASN V 253 ? 0.8081 0.6764 0.6253 0.0047 -0.0371 0.0127 263 ASN d O +39348 C CB A ASN V 253 ? 0.8222 0.6916 0.6410 0.0055 -0.0372 0.0156 263 ASN d CB +39349 C CB B ASN V 253 ? 0.8220 0.6915 0.6409 0.0055 -0.0372 0.0156 263 ASN d CB +39350 C CG A ASN V 253 ? 0.7753 0.6446 0.5931 0.0063 -0.0413 0.0142 263 ASN d CG +39351 C CG B ASN V 253 ? 0.7735 0.6429 0.5915 0.0063 -0.0413 0.0143 263 ASN d CG +39352 O OD1 A ASN V 253 ? 0.7987 0.6681 0.6162 0.0061 -0.0436 0.0124 263 ASN d OD1 +39353 O OD1 B ASN V 253 ? 0.8037 0.6735 0.6218 0.0061 -0.0437 0.0124 263 ASN d OD1 +39354 N ND2 A ASN V 253 ? 0.8380 0.7068 0.6550 0.0072 -0.0423 0.0152 263 ASN d ND2 +39355 N ND2 B ASN V 253 ? 0.8383 0.7072 0.6554 0.0072 -0.0422 0.0153 263 ASN d ND2 +39356 N N A LYS V 254 ? 0.7943 0.6558 0.5997 0.0077 -0.0390 0.0126 264 LYS d N +39357 N N B LYS V 254 ? 0.7934 0.6549 0.5989 0.0078 -0.0392 0.0126 264 LYS d N +39358 C CA A LYS V 254 ? 0.7955 0.6558 0.5991 0.0077 -0.0405 0.0107 264 LYS d CA +39359 C CA B LYS V 254 ? 0.7956 0.6559 0.5993 0.0076 -0.0406 0.0106 264 LYS d CA +39360 C C A LYS V 254 ? 0.7859 0.6495 0.5949 0.0062 -0.0437 0.0088 264 LYS d C +39361 C C B LYS V 254 ? 0.7860 0.6498 0.5952 0.0062 -0.0438 0.0088 264 LYS d C +39362 O O A LYS V 254 ? 0.7404 0.6045 0.5509 0.0052 -0.0440 0.0074 264 LYS d O +39363 O O B LYS V 254 ? 0.7394 0.6038 0.5503 0.0051 -0.0441 0.0074 264 LYS d O +39364 C CB A LYS V 254 ? 0.8559 0.7113 0.6511 0.0097 -0.0419 0.0102 264 LYS d CB +39365 C CB B LYS V 254 ? 0.8557 0.7111 0.6509 0.0097 -0.0421 0.0101 264 LYS d CB +39366 C CG A LYS V 254 ? 1.0575 0.9091 0.8471 0.0105 -0.0399 0.0099 264 LYS d CG +39367 C CG B LYS V 254 ? 1.0610 0.9127 0.8507 0.0104 -0.0402 0.0098 264 LYS d CG +39368 C CD A LYS V 254 ? 1.0055 0.8521 0.7863 0.0126 -0.0417 0.0095 264 LYS d CD +39369 C CD B LYS V 254 ? 1.0057 0.8524 0.7866 0.0126 -0.0417 0.0095 264 LYS d CD +39370 C CE A LYS V 254 ? 1.0611 0.9037 0.8359 0.0136 -0.0399 0.0091 264 LYS d CE +39371 C CE B LYS V 254 ? 1.0588 0.9015 0.8339 0.0134 -0.0404 0.0088 264 LYS d CE +39372 N NZ A LYS V 254 ? 1.0837 0.9212 0.8498 0.0157 -0.0394 0.0100 264 LYS d NZ +39373 N NZ B LYS V 254 ? 1.0926 0.9303 0.8591 0.0156 -0.0391 0.0098 264 LYS d NZ +39374 N N A ARG V 255 ? 0.7386 0.6044 0.5503 0.0062 -0.0460 0.0088 265 ARG d N +39375 N N B ARG V 255 ? 0.7371 0.6030 0.5489 0.0062 -0.0462 0.0087 265 ARG d N +39376 C CA A ARG V 255 ? 0.8263 0.6958 0.6436 0.0048 -0.0489 0.0070 265 ARG d CA +39377 C CA B ARG V 255 ? 0.8280 0.6977 0.6456 0.0048 -0.0491 0.0070 265 ARG d CA +39378 C C A ARG V 255 ? 0.7960 0.6695 0.6206 0.0027 -0.0470 0.0073 265 ARG d C +39379 C C B ARG V 255 ? 0.7972 0.6709 0.6221 0.0027 -0.0472 0.0073 265 ARG d C +39380 O O A ARG V 255 ? 0.7618 0.6371 0.5899 0.0012 -0.0480 0.0058 265 ARG d O +39381 O O B ARG V 255 ? 0.7669 0.6425 0.5954 0.0011 -0.0483 0.0057 265 ARG d O +39382 C CB A ARG V 255 ? 0.7831 0.6540 0.6012 0.0056 -0.0518 0.0070 265 ARG d CB +39383 C CB B ARG V 255 ? 0.7814 0.6525 0.5997 0.0056 -0.0520 0.0069 265 ARG d CB +39384 C CG A ARG V 255 ? 0.8741 0.7409 0.6846 0.0079 -0.0540 0.0066 265 ARG d CG +39385 C CG B ARG V 255 ? 0.8750 0.7419 0.6857 0.0079 -0.0541 0.0066 265 ARG d CG +39386 C CD A ARG V 255 ? 0.8703 0.7383 0.6813 0.0090 -0.0570 0.0066 265 ARG d CD +39387 C CD B ARG V 255 ? 0.8706 0.7390 0.6821 0.0089 -0.0572 0.0064 265 ARG d CD +39388 N NE A ARG V 255 ? 0.8878 0.7523 0.6921 0.0110 -0.0599 0.0055 265 ARG d NE +39389 N NE B ARG V 255 ? 0.8891 0.7541 0.6940 0.0108 -0.0602 0.0053 265 ARG d NE +39390 C CZ A ARG V 255 ? 0.9387 0.8047 0.7435 0.0118 -0.0639 0.0042 265 ARG d CZ +39391 C CZ B ARG V 255 ? 0.9398 0.8062 0.7453 0.0117 -0.0642 0.0040 265 ARG d CZ +39392 N NH1 A ARG V 255 ? 0.7899 0.6606 0.6015 0.0110 -0.0653 0.0038 265 ARG d NH1 +39393 N NH1 B ARG V 255 ? 0.7865 0.6576 0.5987 0.0109 -0.0655 0.0037 265 ARG d NH1 +39394 N NH2 A ARG V 255 ? 0.9018 0.7644 0.7002 0.0135 -0.0666 0.0030 265 ARG d NH2 +39395 N NH2 B ARG V 255 ? 0.9020 0.7651 0.7011 0.0133 -0.0669 0.0029 265 ARG d NH2 +39396 N N A TRP V 256 ? 0.7475 0.6223 0.5745 0.0026 -0.0444 0.0093 266 TRP d N +39397 N N B TRP V 256 ? 0.7468 0.6216 0.5738 0.0026 -0.0444 0.0092 266 TRP d N +39398 C CA A TRP V 256 ? 0.7623 0.6406 0.5957 0.0008 -0.0425 0.0096 266 TRP d CA +39399 C CA B TRP V 256 ? 0.7624 0.6407 0.5959 0.0007 -0.0426 0.0096 266 TRP d CA +39400 C C A TRP V 256 ? 0.7198 0.5969 0.5525 0.0002 -0.0407 0.0091 266 TRP d C +39401 C C B TRP V 256 ? 0.7193 0.5965 0.5521 0.0001 -0.0407 0.0091 266 TRP d C +39402 O O A TRP V 256 ? 0.7293 0.6085 0.5662 -0.0014 -0.0410 0.0081 266 TRP d O +39403 O O B TRP V 256 ? 0.7312 0.6106 0.5685 -0.0015 -0.0409 0.0081 266 TRP d O +39404 C CB A TRP V 256 ? 0.6799 0.5591 0.5150 0.0009 -0.0399 0.0118 266 TRP d CB +39405 C CB B TRP V 256 ? 0.6781 0.5575 0.5134 0.0008 -0.0400 0.0118 266 TRP d CB +39406 C CG A TRP V 256 ? 0.7640 0.6461 0.6046 -0.0007 -0.0375 0.0123 266 TRP d CG +39407 C CG B TRP V 256 ? 0.7653 0.6476 0.6062 -0.0008 -0.0376 0.0123 266 TRP d CG +39408 C CD1 A TRP V 256 ? 0.7222 0.6039 0.5626 -0.0007 -0.0342 0.0136 266 TRP d CD1 +39409 C CD1 B TRP V 256 ? 0.7229 0.6047 0.5634 -0.0008 -0.0343 0.0135 266 TRP d CD1 +39410 C CD2 A TRP V 256 ? 0.6866 0.5726 0.5338 -0.0025 -0.0384 0.0115 266 TRP d CD2 +39411 C CD2 B TRP V 256 ? 0.6851 0.5713 0.5325 -0.0025 -0.0384 0.0115 266 TRP d CD2 +39412 N NE1 A TRP V 256 ? 0.7549 0.6399 0.6012 -0.0023 -0.0331 0.0136 266 TRP d NE1 +39413 N NE1 B TRP V 256 ? 0.7563 0.6413 0.6026 -0.0023 -0.0332 0.0135 266 TRP d NE1 +39414 C CE2 A TRP V 256 ? 0.7406 0.6280 0.5908 -0.0034 -0.0355 0.0124 266 TRP d CE2 +39415 C CE2 B TRP V 256 ? 0.7409 0.6285 0.5914 -0.0034 -0.0356 0.0124 266 TRP d CE2 +39416 C CE3 A TRP V 256 ? 0.7164 0.6048 0.5670 -0.0033 -0.0412 0.0101 266 TRP d CE3 +39417 C CE3 B TRP V 256 ? 0.7158 0.6044 0.5668 -0.0034 -0.0412 0.0101 266 TRP d CE3 +39418 C CZ2 A TRP V 256 ? 0.6946 0.5854 0.5509 -0.0051 -0.0355 0.0120 266 TRP d CZ2 +39419 C CZ2 B TRP V 256 ? 0.6942 0.5851 0.5506 -0.0051 -0.0355 0.0120 266 TRP d CZ2 +39420 C CZ3 A TRP V 256 ? 0.7363 0.6282 0.5931 -0.0052 -0.0409 0.0096 266 TRP d CZ3 +39421 C CZ3 B TRP V 256 ? 0.7333 0.6254 0.5905 -0.0052 -0.0409 0.0097 266 TRP d CZ3 +39422 C CH2 A TRP V 256 ? 0.7271 0.6200 0.5865 -0.0060 -0.0381 0.0106 266 TRP d CH2 +39423 C CH2 B TRP V 256 ? 0.7265 0.6196 0.5862 -0.0060 -0.0381 0.0107 266 TRP d CH2 +39424 N N A LEU V 257 ? 0.7607 0.6341 0.5876 0.0015 -0.0390 0.0096 267 LEU d N +39425 N N B LEU V 257 ? 0.7611 0.6346 0.5881 0.0015 -0.0390 0.0096 267 LEU d N +39426 C CA A LEU V 257 ? 0.7744 0.6463 0.6000 0.0013 -0.0372 0.0092 267 LEU d CA +39427 C CA B LEU V 257 ? 0.7745 0.6465 0.6002 0.0012 -0.0373 0.0091 267 LEU d CA +39428 C C A LEU V 257 ? 0.7908 0.6624 0.6168 0.0003 -0.0397 0.0069 267 LEU d C +39429 C C B LEU V 257 ? 0.7924 0.6641 0.6185 0.0003 -0.0397 0.0069 267 LEU d C +39430 O O A LEU V 257 ? 0.7619 0.6346 0.5910 -0.0009 -0.0388 0.0064 267 LEU d O +39431 O O B LEU V 257 ? 0.7630 0.6356 0.5920 -0.0009 -0.0389 0.0063 267 LEU d O +39432 C CB A LEU V 257 ? 0.8258 0.6936 0.6444 0.0031 -0.0354 0.0099 267 LEU d CB +39433 C CB B LEU V 257 ? 0.8274 0.6951 0.6460 0.0031 -0.0355 0.0098 267 LEU d CB +39434 C CG A LEU V 257 ? 0.8429 0.7088 0.6593 0.0035 -0.0329 0.0097 267 LEU d CG +39435 C CG B LEU V 257 ? 0.8445 0.7104 0.6608 0.0035 -0.0330 0.0097 267 LEU d CG +39436 C CD1 A LEU V 257 ? 0.7802 0.6424 0.5899 0.0054 -0.0310 0.0107 267 LEU d CD1 +39437 C CD1 B LEU V 257 ? 0.7797 0.6422 0.5898 0.0053 -0.0308 0.0109 267 LEU d CD1 +39438 C CD2 A LEU V 257 ? 0.8095 0.6738 0.6246 0.0030 -0.0347 0.0077 267 LEU d CD2 +39439 C CD2 B LEU V 257 ? 0.8146 0.6785 0.6289 0.0032 -0.0348 0.0076 267 LEU d CD2 +39440 N N A HIS V 258 ? 0.7056 0.5757 0.5285 0.0009 -0.0428 0.0056 268 HIS d N +39441 N N B HIS V 258 ? 0.7052 0.5755 0.5284 0.0009 -0.0429 0.0056 268 HIS d N +39442 C CA A HIS V 258 ? 0.7149 0.5846 0.5381 -0.0002 -0.0451 0.0034 268 HIS d CA +39443 C CA B HIS V 258 ? 0.7142 0.5841 0.5376 -0.0002 -0.0452 0.0034 268 HIS d CA +39444 C C A HIS V 258 ? 0.6711 0.5452 0.5016 -0.0023 -0.0466 0.0025 268 HIS d C +39445 C C B HIS V 258 ? 0.6697 0.5439 0.5002 -0.0022 -0.0469 0.0025 268 HIS d C +39446 O O A HIS V 258 ? 0.6929 0.5674 0.5255 -0.0038 -0.0472 0.0011 268 HIS d O +39447 O O B HIS V 258 ? 0.6918 0.5662 0.5242 -0.0037 -0.0476 0.0010 268 HIS d O +39448 C CB A HIS V 258 ? 0.7534 0.6200 0.5708 0.0011 -0.0479 0.0021 268 HIS d CB +39449 C CB B HIS V 258 ? 0.7529 0.6196 0.5703 0.0012 -0.0480 0.0021 268 HIS d CB +39450 C CG A HIS V 258 ? 0.8111 0.6728 0.6209 0.0029 -0.0463 0.0025 268 HIS d CG +39451 C CG B HIS V 258 ? 0.8145 0.6764 0.6245 0.0030 -0.0464 0.0026 268 HIS d CG +39452 N ND1 A HIS V 258 ? 0.7911 0.6510 0.5969 0.0047 -0.0447 0.0043 268 HIS d ND1 +39453 N ND1 B HIS V 258 ? 0.7888 0.6488 0.5946 0.0048 -0.0449 0.0043 268 HIS d ND1 +39454 C CD2 A HIS V 258 ? 0.7416 0.5999 0.5473 0.0032 -0.0458 0.0015 268 HIS d CD2 +39455 C CD2 B HIS V 258 ? 0.7391 0.5976 0.5450 0.0033 -0.0459 0.0015 268 HIS d CD2 +39456 C CE1 A HIS V 258 ? 0.7825 0.6382 0.5820 0.0061 -0.0433 0.0042 268 HIS d CE1 +39457 C CE1 B HIS V 258 ? 0.7820 0.6378 0.5815 0.0061 -0.0434 0.0043 268 HIS d CE1 +39458 N NE2 A HIS V 258 ? 0.7661 0.6207 0.5653 0.0053 -0.0440 0.0025 268 HIS d NE2 +39459 N NE2 B HIS V 258 ? 0.7648 0.6196 0.5642 0.0053 -0.0440 0.0026 268 HIS d NE2 +39460 N N A PHE V 259 ? 0.7156 0.5929 0.5499 -0.0024 -0.0473 0.0033 269 PHE d N +39461 N N B PHE V 259 ? 0.7156 0.5931 0.5501 -0.0024 -0.0474 0.0033 269 PHE d N +39462 C CA A PHE V 259 ? 0.7474 0.6290 0.5888 -0.0044 -0.0482 0.0026 269 PHE d CA +39463 C CA B PHE V 259 ? 0.7483 0.6301 0.5898 -0.0044 -0.0483 0.0026 269 PHE d CA +39464 C C A PHE V 259 ? 0.7025 0.5853 0.5475 -0.0057 -0.0454 0.0034 269 PHE d C +39465 C C B PHE V 259 ? 0.7028 0.5856 0.5478 -0.0057 -0.0455 0.0033 269 PHE d C +39466 O O A PHE V 259 ? 0.7166 0.6010 0.5654 -0.0075 -0.0458 0.0023 269 PHE d O +39467 O O B PHE V 259 ? 0.7175 0.6017 0.5660 -0.0075 -0.0459 0.0022 269 PHE d O +39468 C CB A PHE V 259 ? 0.6975 0.5824 0.5424 -0.0042 -0.0492 0.0035 269 PHE d CB +39469 C CB B PHE V 259 ? 0.6957 0.5807 0.5408 -0.0042 -0.0492 0.0035 269 PHE d CB +39470 C CG A PHE V 259 ? 0.7227 0.6120 0.5749 -0.0062 -0.0496 0.0029 269 PHE d CG +39471 C CG B PHE V 259 ? 0.7219 0.6113 0.5742 -0.0062 -0.0497 0.0029 269 PHE d CG +39472 C CD1 A PHE V 259 ? 0.7173 0.6086 0.5722 -0.0074 -0.0525 0.0009 269 PHE d CD1 +39473 C CD1 B PHE V 259 ? 0.7162 0.6076 0.5711 -0.0073 -0.0526 0.0009 269 PHE d CD1 +39474 C CD2 A PHE V 259 ? 0.7730 0.6645 0.6295 -0.0070 -0.0471 0.0043 269 PHE d CD2 +39475 C CD2 B PHE V 259 ? 0.7743 0.6659 0.6309 -0.0071 -0.0472 0.0042 269 PHE d CD2 +39476 C CE1 A PHE V 259 ? 0.7939 0.6892 0.6554 -0.0094 -0.0526 0.0003 269 PHE d CE1 +39477 C CE1 B PHE V 259 ? 0.7941 0.6896 0.6557 -0.0093 -0.0528 0.0003 269 PHE d CE1 +39478 C CE2 A PHE V 259 ? 0.7152 0.6105 0.5780 -0.0089 -0.0473 0.0038 269 PHE d CE2 +39479 C CE2 B PHE V 259 ? 0.7139 0.6093 0.5769 -0.0090 -0.0475 0.0037 269 PHE d CE2 +39480 C CZ A PHE V 259 ? 0.7452 0.6424 0.6106 -0.0101 -0.0500 0.0018 269 PHE d CZ +39481 C CZ B PHE V 259 ? 0.7457 0.6430 0.6111 -0.0101 -0.0502 0.0017 269 PHE d CZ +39482 N N A PHE V 260 ? 0.7362 0.6181 0.5800 -0.0048 -0.0424 0.0052 270 PHE d N +39483 N N B PHE V 260 ? 0.7362 0.6184 0.5803 -0.0048 -0.0425 0.0052 270 PHE d N +39484 C CA A PHE V 260 ? 0.7657 0.6488 0.6127 -0.0057 -0.0397 0.0060 270 PHE d CA +39485 C CA B PHE V 260 ? 0.7669 0.6501 0.6140 -0.0057 -0.0398 0.0059 270 PHE d CA +39486 C C A PHE V 260 ? 0.7325 0.6131 0.5775 -0.0062 -0.0395 0.0047 270 PHE d C +39487 C C B PHE V 260 ? 0.7329 0.6136 0.5779 -0.0062 -0.0396 0.0047 270 PHE d C +39488 O O A PHE V 260 ? 0.7206 0.6025 0.5692 -0.0075 -0.0386 0.0045 270 PHE d O +39489 O O B PHE V 260 ? 0.7222 0.6041 0.5707 -0.0075 -0.0386 0.0045 270 PHE d O +39490 C CB A PHE V 260 ? 0.7307 0.6133 0.5762 -0.0044 -0.0368 0.0080 270 PHE d CB +39491 C CB B PHE V 260 ? 0.7310 0.6137 0.5766 -0.0045 -0.0369 0.0080 270 PHE d CB +39492 C CG A PHE V 260 ? 0.7022 0.5870 0.5520 -0.0053 -0.0343 0.0090 270 PHE d CG +39493 C CG B PHE V 260 ? 0.7010 0.5859 0.5509 -0.0054 -0.0344 0.0090 270 PHE d CG +39494 C CD1 A PHE V 260 ? 0.7506 0.6391 0.6063 -0.0067 -0.0345 0.0093 270 PHE d CD1 +39495 C CD1 B PHE V 260 ? 0.7510 0.6396 0.6069 -0.0068 -0.0346 0.0092 270 PHE d CD1 +39496 C CD2 A PHE V 260 ? 0.7017 0.5848 0.5495 -0.0046 -0.0318 0.0095 270 PHE d CD2 +39497 C CD2 B PHE V 260 ? 0.7045 0.5878 0.5524 -0.0046 -0.0318 0.0096 270 PHE d CD2 +39498 C CE1 A PHE V 260 ? 0.8082 0.6986 0.6677 -0.0074 -0.0323 0.0101 270 PHE d CE1 +39499 C CE1 B PHE V 260 ? 0.8100 0.7005 0.6696 -0.0075 -0.0324 0.0101 270 PHE d CE1 +39500 C CE2 A PHE V 260 ? 0.7632 0.6484 0.6149 -0.0053 -0.0296 0.0103 270 PHE d CE2 +39501 C CE2 B PHE V 260 ? 0.7614 0.6468 0.6132 -0.0052 -0.0296 0.0104 270 PHE d CE2 +39502 C CZ A PHE V 260 ? 0.6991 0.5878 0.5565 -0.0067 -0.0299 0.0106 270 PHE d CZ +39503 C CZ B PHE V 260 ? 0.6982 0.5871 0.5557 -0.0067 -0.0300 0.0107 270 PHE d CZ +39504 N N A MET V 261 ? 0.7304 0.6072 0.5695 -0.0050 -0.0403 0.0038 271 MET d N +39505 N N B MET V 261 ? 0.7309 0.6078 0.5700 -0.0050 -0.0404 0.0038 271 MET d N +39506 C CA A MET V 261 ? 0.7536 0.6276 0.5904 -0.0054 -0.0402 0.0025 271 MET d CA +39507 C CA B MET V 261 ? 0.7553 0.6294 0.5921 -0.0054 -0.0403 0.0025 271 MET d CA +39508 C C A MET V 261 ? 0.6819 0.5570 0.5218 -0.0075 -0.0426 0.0006 271 MET d C +39509 C C B MET V 261 ? 0.6813 0.5566 0.5213 -0.0075 -0.0427 0.0006 271 MET d C +39510 O O A MET V 261 ? 0.7105 0.5845 0.5509 -0.0086 -0.0420 -0.0002 271 MET d O +39511 O O B MET V 261 ? 0.7093 0.5835 0.5499 -0.0086 -0.0421 -0.0002 271 MET d O +39512 C CB A MET V 261 ? 0.6635 0.5330 0.4929 -0.0037 -0.0406 0.0019 271 MET d CB +39513 C CB B MET V 261 ? 0.6623 0.5320 0.4918 -0.0037 -0.0407 0.0019 271 MET d CB +39514 C CG A MET V 261 ? 0.7506 0.6187 0.5767 -0.0018 -0.0376 0.0037 271 MET d CG +39515 C CG B MET V 261 ? 0.7522 0.6202 0.5783 -0.0018 -0.0377 0.0036 271 MET d CG +39516 S SD A MET V 261 ? 0.8016 0.6641 0.6186 0.0004 -0.0377 0.0031 271 MET d SD +39517 S SD B MET V 261 ? 0.8020 0.6645 0.6191 0.0004 -0.0379 0.0030 271 MET d SD +39518 C CE A MET V 261 ? 0.7176 0.5772 0.5329 -0.0001 -0.0374 0.0015 271 MET d CE +39519 C CE B MET V 261 ? 0.7168 0.5766 0.5326 -0.0002 -0.0374 0.0015 271 MET d CE +39520 N N A LEU V 262 ? 0.7267 0.6040 0.5685 -0.0081 -0.0453 -0.0002 272 LEU d N +39521 N N B LEU V 262 ? 0.7270 0.6045 0.5690 -0.0081 -0.0454 -0.0002 272 LEU d N +39522 C CA A LEU V 262 ? 0.6947 0.5740 0.5407 -0.0103 -0.0473 -0.0019 272 LEU d CA +39523 C CA B LEU V 262 ? 0.6941 0.5736 0.5402 -0.0103 -0.0474 -0.0019 272 LEU d CA +39524 C C A LEU V 262 ? 0.7663 0.6492 0.6186 -0.0119 -0.0457 -0.0011 272 LEU d C +39525 C C B LEU V 262 ? 0.7688 0.6518 0.6212 -0.0119 -0.0458 -0.0011 272 LEU d C +39526 O O A LEU V 262 ? 0.7370 0.6200 0.5917 -0.0137 -0.0456 -0.0020 272 LEU d O +39527 O O B LEU V 262 ? 0.7379 0.6209 0.5925 -0.0137 -0.0457 -0.0020 272 LEU d O +39528 C CB A LEU V 262 ? 0.7736 0.6550 0.6205 -0.0103 -0.0505 -0.0029 272 LEU d CB +39529 C CB B LEU V 262 ? 0.7751 0.6567 0.6221 -0.0103 -0.0506 -0.0029 272 LEU d CB +39530 C CG A LEU V 262 ? 0.8444 0.7286 0.6957 -0.0125 -0.0531 -0.0049 272 LEU d CG +39531 C CG B LEU V 262 ? 0.8482 0.7327 0.6997 -0.0125 -0.0533 -0.0049 272 LEU d CG +39532 C CD1 A LEU V 262 ? 0.8867 0.7723 0.7373 -0.0115 -0.0562 -0.0056 272 LEU d CD1 +39533 C CD1 B LEU V 262 ? 0.8870 0.7727 0.7376 -0.0114 -0.0564 -0.0056 272 LEU d CD1 +39534 C CD2 A LEU V 262 ? 0.8248 0.7133 0.6832 -0.0143 -0.0522 -0.0044 272 LEU d CD2 +39535 C CD2 B LEU V 262 ? 0.8262 0.7150 0.6848 -0.0143 -0.0524 -0.0044 272 LEU d CD2 +39536 N N A PHE V 263 ? 0.6864 0.5718 0.5413 -0.0113 -0.0444 0.0007 273 PHE d N +39537 N N B PHE V 263 ? 0.6854 0.5710 0.5404 -0.0113 -0.0445 0.0007 273 PHE d N +39538 C CA A PHE V 263 ? 0.7040 0.5932 0.5652 -0.0127 -0.0434 0.0014 273 PHE d CA +39539 C CA B PHE V 263 ? 0.7045 0.5938 0.5657 -0.0127 -0.0435 0.0013 273 PHE d CA +39540 C C A PHE V 263 ? 0.6577 0.5459 0.5197 -0.0134 -0.0410 0.0018 273 PHE d C +39541 C C B PHE V 263 ? 0.6573 0.5455 0.5192 -0.0134 -0.0411 0.0018 273 PHE d C +39542 O O A PHE V 263 ? 0.6524 0.5421 0.5183 -0.0153 -0.0409 0.0013 273 PHE d O +39543 O O B PHE V 263 ? 0.6517 0.5416 0.5177 -0.0153 -0.0410 0.0012 273 PHE d O +39544 C CB A PHE V 263 ? 0.6406 0.5321 0.5034 -0.0116 -0.0425 0.0032 273 PHE d CB +39545 C CB B PHE V 263 ? 0.6386 0.5303 0.5016 -0.0117 -0.0426 0.0031 273 PHE d CB +39546 C CG A PHE V 263 ? 0.7094 0.6045 0.5782 -0.0129 -0.0414 0.0039 273 PHE d CG +39547 C CG B PHE V 263 ? 0.7098 0.6051 0.5788 -0.0130 -0.0415 0.0039 273 PHE d CG +39548 C CD1 A PHE V 263 ? 0.7209 0.6195 0.5944 -0.0143 -0.0430 0.0031 273 PHE d CD1 +39549 C CD1 B PHE V 263 ? 0.7199 0.6186 0.5935 -0.0143 -0.0432 0.0031 273 PHE d CD1 +39550 C CD2 A PHE V 263 ? 0.6281 0.5233 0.4978 -0.0128 -0.0386 0.0054 273 PHE d CD2 +39551 C CD2 B PHE V 263 ? 0.6275 0.5229 0.4976 -0.0129 -0.0388 0.0053 273 PHE d CD2 +39552 C CE1 A PHE V 263 ? 0.7287 0.6304 0.6074 -0.0155 -0.0419 0.0038 273 PHE d CE1 +39553 C CE1 B PHE V 263 ? 0.7309 0.6328 0.6098 -0.0155 -0.0421 0.0038 273 PHE d CE1 +39554 C CE2 A PHE V 263 ? 0.7445 0.6429 0.6195 -0.0139 -0.0376 0.0060 273 PHE d CE2 +39555 C CE2 B PHE V 263 ? 0.7475 0.6461 0.6228 -0.0141 -0.0378 0.0060 273 PHE d CE2 +39556 C CZ A PHE V 263 ? 0.6765 0.5779 0.5557 -0.0153 -0.0392 0.0053 273 PHE d CZ +39557 C CZ B PHE V 263 ? 0.6735 0.5751 0.5530 -0.0153 -0.0394 0.0052 273 PHE d CZ +39558 N N A VAL V 264 ? 0.6884 0.5739 0.5465 -0.0119 -0.0390 0.0028 274 VAL d N +39559 N N B VAL V 264 ? 0.6884 0.5738 0.5465 -0.0119 -0.0391 0.0027 274 VAL d N +39560 C CA A VAL V 264 ? 0.6870 0.5721 0.5463 -0.0121 -0.0365 0.0035 274 VAL d CA +39561 C CA B VAL V 264 ? 0.6876 0.5728 0.5469 -0.0121 -0.0366 0.0035 274 VAL d CA +39562 C C A VAL V 264 ? 0.7409 0.6239 0.5999 -0.0136 -0.0370 0.0020 274 VAL d C +39563 C C B VAL V 264 ? 0.7428 0.6259 0.6019 -0.0135 -0.0369 0.0021 274 VAL d C +39564 O O A VAL V 264 ? 0.6843 0.5689 0.5473 -0.0151 -0.0364 0.0021 274 VAL d O +39565 O O B VAL V 264 ? 0.6865 0.5712 0.5495 -0.0149 -0.0362 0.0022 274 VAL d O +39566 C CB A VAL V 264 ? 0.7249 0.6079 0.5803 -0.0100 -0.0343 0.0047 274 VAL d CB +39567 C CB B VAL V 264 ? 0.7266 0.6096 0.5820 -0.0100 -0.0344 0.0048 274 VAL d CB +39568 C CG1 A VAL V 264 ? 0.6751 0.5570 0.5308 -0.0100 -0.0321 0.0051 274 VAL d CG1 +39569 C CG1 B VAL V 264 ? 0.6745 0.5567 0.5303 -0.0100 -0.0321 0.0052 274 VAL d CG1 +39570 C CG2 A VAL V 264 ? 0.6917 0.5772 0.5487 -0.0091 -0.0332 0.0065 274 VAL d CG2 +39571 C CG2 B VAL V 264 ? 0.6880 0.5735 0.5448 -0.0091 -0.0334 0.0065 274 VAL d CG2 +39572 N N A PRO V 265 ? 0.6803 0.5595 0.5347 -0.0133 -0.0380 0.0007 275 PRO d N +39573 N N B PRO V 265 ? 0.6787 0.5582 0.5333 -0.0133 -0.0380 0.0007 275 PRO d N +39574 C CA A PRO V 265 ? 0.7304 0.6075 0.5847 -0.0148 -0.0383 -0.0007 275 PRO d CA +39575 C CA B PRO V 265 ? 0.7309 0.6082 0.5855 -0.0149 -0.0383 -0.0007 275 PRO d CA +39576 C C A PRO V 265 ? 0.6820 0.5615 0.5406 -0.0173 -0.0402 -0.0020 275 PRO d C +39577 C C B PRO V 265 ? 0.6819 0.5615 0.5406 -0.0174 -0.0402 -0.0020 275 PRO d C +39578 O O A PRO V 265 ? 0.6876 0.5667 0.5483 -0.0190 -0.0396 -0.0024 275 PRO d O +39579 O O B PRO V 265 ? 0.6867 0.5660 0.5476 -0.0191 -0.0397 -0.0025 275 PRO d O +39580 C CB A PRO V 265 ? 0.7271 0.5995 0.5751 -0.0138 -0.0390 -0.0019 275 PRO d CB +39581 C CB B PRO V 265 ? 0.7283 0.6008 0.5765 -0.0138 -0.0390 -0.0019 275 PRO d CB +39582 C CG A PRO V 265 ? 0.7867 0.6597 0.6325 -0.0124 -0.0403 -0.0017 275 PRO d CG +39583 C CG B PRO V 265 ? 0.7892 0.6623 0.6352 -0.0124 -0.0403 -0.0017 275 PRO d CG +39584 C CD A PRO V 265 ? 0.6953 0.5718 0.5442 -0.0115 -0.0388 0.0003 275 PRO d CD +39585 C CD B PRO V 265 ? 0.6953 0.5720 0.5444 -0.0116 -0.0389 0.0003 275 PRO d CD +39586 N N A VAL V 266 ? 0.6716 0.5535 0.5315 -0.0176 -0.0423 -0.0026 276 VAL d N +39587 N N B VAL V 266 ? 0.6711 0.5530 0.5310 -0.0176 -0.0424 -0.0026 276 VAL d N +39588 C CA A VAL V 266 ? 0.7192 0.6038 0.5835 -0.0200 -0.0441 -0.0039 276 VAL d CA +39589 C CA B VAL V 266 ? 0.7215 0.6062 0.5859 -0.0199 -0.0443 -0.0039 276 VAL d CA +39590 C C A VAL V 266 ? 0.7037 0.5919 0.5738 -0.0212 -0.0427 -0.0029 276 VAL d C +39591 C C B VAL V 266 ? 0.7047 0.5929 0.5747 -0.0211 -0.0428 -0.0029 276 VAL d C +39592 O O A VAL V 266 ? 0.7360 0.6249 0.6091 -0.0234 -0.0428 -0.0037 276 VAL d O +39593 O O B VAL V 266 ? 0.7379 0.6270 0.6110 -0.0233 -0.0430 -0.0038 276 VAL d O +39594 C CB A VAL V 266 ? 0.7399 0.6266 0.6045 -0.0196 -0.0468 -0.0047 276 VAL d CB +39595 C CB B VAL V 266 ? 0.7405 0.6274 0.6051 -0.0195 -0.0469 -0.0047 276 VAL d CB +39596 C CG1 A VAL V 266 ? 0.6536 0.5444 0.5240 -0.0219 -0.0484 -0.0059 276 VAL d CG1 +39597 C CG1 B VAL V 266 ? 0.6507 0.5417 0.5212 -0.0218 -0.0485 -0.0059 276 VAL d CG1 +39598 C CG2 A VAL V 266 ? 0.6711 0.5540 0.5300 -0.0188 -0.0486 -0.0062 276 VAL d CG2 +39599 C CG2 B VAL V 266 ? 0.6701 0.5532 0.5292 -0.0188 -0.0487 -0.0062 276 VAL d CG2 +39600 N N A THR V 267 ? 0.7111 0.6014 0.5826 -0.0198 -0.0413 -0.0010 277 THR d N +39601 N N B THR V 267 ? 0.7134 0.6037 0.5847 -0.0197 -0.0414 -0.0010 277 THR d N +39602 C CA A THR V 267 ? 0.6392 0.5327 0.5157 -0.0208 -0.0400 0.0000 277 THR d CA +39603 C CA B THR V 267 ? 0.6382 0.5316 0.5146 -0.0207 -0.0401 0.0000 277 THR d CA +39604 C C A THR V 267 ? 0.6269 0.5183 0.5033 -0.0214 -0.0380 0.0003 277 THR d C +39605 C C B THR V 267 ? 0.6263 0.5177 0.5025 -0.0214 -0.0380 0.0003 277 THR d C +39606 O O A THR V 267 ? 0.6698 0.5625 0.5496 -0.0232 -0.0376 0.0001 277 THR d O +39607 O O B THR V 267 ? 0.6708 0.5636 0.5506 -0.0232 -0.0376 0.0001 277 THR d O +39608 C CB A THR V 267 ? 0.7013 0.5971 0.5789 -0.0191 -0.0390 0.0018 277 THR d CB +39609 C CB B THR V 267 ? 0.7018 0.5975 0.5791 -0.0190 -0.0391 0.0018 277 THR d CB +39610 O OG1 A THR V 267 ? 0.6700 0.5675 0.5478 -0.0186 -0.0411 0.0014 277 THR d OG1 +39611 O OG1 B THR V 267 ? 0.6710 0.5685 0.5487 -0.0185 -0.0412 0.0014 277 THR d OG1 +39612 C CG2 A THR V 267 ? 0.6484 0.5472 0.5308 -0.0200 -0.0376 0.0029 277 THR d CG2 +39613 C CG2 B THR V 267 ? 0.6490 0.5477 0.5312 -0.0199 -0.0376 0.0029 277 THR d CG2 +39614 N N A GLY V 268 ? 0.6717 0.5595 0.5436 -0.0199 -0.0367 0.0008 278 GLY d N +39615 N N B GLY V 268 ? 0.6725 0.5603 0.5443 -0.0199 -0.0368 0.0007 278 GLY d N +39616 C CA A GLY V 268 ? 0.7011 0.5866 0.5723 -0.0201 -0.0349 0.0011 278 GLY d CA +39617 C CA B GLY V 268 ? 0.7012 0.5868 0.5725 -0.0201 -0.0350 0.0011 278 GLY d CA +39618 C C A GLY V 268 ? 0.7452 0.6287 0.6165 -0.0223 -0.0356 -0.0005 278 GLY d C +39619 C C B GLY V 268 ? 0.7472 0.6307 0.6185 -0.0223 -0.0357 -0.0004 278 GLY d C +39620 O O A GLY V 268 ? 0.7178 0.6013 0.5912 -0.0235 -0.0345 -0.0002 278 GLY d O +39621 O O B GLY V 268 ? 0.7188 0.6024 0.5924 -0.0235 -0.0346 -0.0002 278 GLY d O +39622 N N . LEU V 269 ? 0.6878 0.5692 0.5565 -0.0229 -0.0375 -0.0021 279 LEU d N +39623 C CA . LEU V 269 ? 0.6503 0.5297 0.5192 -0.0253 -0.0382 -0.0037 279 LEU d CA +39624 C C . LEU V 269 ? 0.6359 0.5193 0.5106 -0.0277 -0.0387 -0.0041 279 LEU d C +39625 O O . LEU V 269 ? 0.6728 0.5551 0.5487 -0.0295 -0.0379 -0.0044 279 LEU d O +39626 C CB . LEU V 269 ? 0.6960 0.5728 0.5613 -0.0256 -0.0403 -0.0056 279 LEU d CB +39627 C CG . LEU V 269 ? 0.7494 0.6203 0.6089 -0.0248 -0.0396 -0.0061 279 LEU d CG +39628 C CD1 . LEU V 269 ? 0.6939 0.5633 0.5501 -0.0218 -0.0379 -0.0046 279 LEU d CD1 +39629 C CD2 . LEU V 269 ? 0.6831 0.5513 0.5391 -0.0255 -0.0419 -0.0082 279 LEU d CD2 +39630 N N . TRP V 270 ? 0.6422 0.5299 0.5201 -0.0276 -0.0399 -0.0039 280 TRP d N +39631 C CA . TRP V 270 ? 0.7158 0.6077 0.5994 -0.0296 -0.0402 -0.0042 280 TRP d CA +39632 C C . TRP V 270 ? 0.7083 0.6011 0.5944 -0.0299 -0.0380 -0.0027 280 TRP d C +39633 O O . TRP V 270 ? 0.7135 0.6074 0.6027 -0.0320 -0.0375 -0.0032 280 TRP d O +39634 C CB . TRP V 270 ? 0.6720 0.5684 0.5584 -0.0289 -0.0418 -0.0041 280 TRP d CB +39635 C CG . TRP V 270 ? 0.7124 0.6098 0.5993 -0.0299 -0.0445 -0.0062 280 TRP d CG +39636 C CD1 . TRP V 270 ? 0.5993 0.4951 0.4824 -0.0287 -0.0463 -0.0070 280 TRP d CD1 +39637 C CD2 . TRP V 270 ? 0.6725 0.5730 0.5640 -0.0325 -0.0456 -0.0077 280 TRP d CD2 +39638 N NE1 . TRP V 270 ? 0.6736 0.5714 0.5588 -0.0302 -0.0488 -0.0090 280 TRP d NE1 +39639 C CE2 . TRP V 270 ? 0.6548 0.5556 0.5453 -0.0326 -0.0484 -0.0095 280 TRP d CE2 +39640 C CE3 . TRP V 270 ? 0.6213 0.5242 0.5175 -0.0347 -0.0446 -0.0077 280 TRP d CE3 +39641 C CZ2 . TRP V 270 ? 0.6886 0.5926 0.5831 -0.0349 -0.0501 -0.0114 280 TRP d CZ2 +39642 C CZ3 . TRP V 270 ? 0.7247 0.6307 0.6249 -0.0370 -0.0462 -0.0096 280 TRP d CZ3 +39643 C CH2 . TRP V 270 ? 0.6682 0.5749 0.5677 -0.0371 -0.0489 -0.0114 280 TRP d CH2 +39644 N N . MET V 271 ? 0.7237 0.6162 0.6085 -0.0277 -0.0365 -0.0010 281 MET d N +39645 C CA . MET V 271 ? 0.6333 0.5267 0.5203 -0.0278 -0.0344 0.0004 281 MET d CA +39646 C C . MET V 271 ? 0.6491 0.5385 0.5341 -0.0289 -0.0333 0.0000 281 MET d C +39647 O O . MET V 271 ? 0.6604 0.5506 0.5480 -0.0303 -0.0324 0.0002 281 MET d O +39648 C CB . MET V 271 ? 0.7122 0.6062 0.5982 -0.0253 -0.0332 0.0021 281 MET d CB +39649 C CG . MET V 271 ? 0.6108 0.5088 0.4993 -0.0244 -0.0339 0.0028 281 MET d CG +39650 S SD . MET V 271 ? 0.7515 0.6542 0.6462 -0.0263 -0.0342 0.0028 281 MET d SD +39651 C CE . MET V 271 ? 0.7617 0.6660 0.6574 -0.0274 -0.0370 0.0009 281 MET d CE +39652 N N . SER V 272 ? 0.6308 0.5159 0.5111 -0.0282 -0.0334 -0.0006 282 SER d N +39653 C CA . SER V 272 ? 0.6478 0.5286 0.5258 -0.0291 -0.0324 -0.0010 282 SER d CA +39654 C C . SER V 272 ? 0.6757 0.5563 0.5557 -0.0322 -0.0331 -0.0025 282 SER d C +39655 O O . SER V 272 ? 0.6562 0.5350 0.5365 -0.0336 -0.0319 -0.0023 282 SER d O +39656 C CB . SER V 272 ? 0.6705 0.5464 0.5428 -0.0275 -0.0323 -0.0014 282 SER d CB +39657 O OG . SER V 272 ? 0.7636 0.6382 0.6338 -0.0280 -0.0342 -0.0030 282 SER d OG +39658 N N . ALA V 273 ? 0.6717 0.5544 0.5532 -0.0334 -0.0351 -0.0039 283 ALA d N +39659 C CA . ALA V 273 ? 0.7056 0.5889 0.5897 -0.0366 -0.0358 -0.0054 283 ALA d CA +39660 C C . ALA V 273 ? 0.6402 0.5269 0.5292 -0.0379 -0.0346 -0.0046 283 ALA d C +39661 O O . ALA V 273 ? 0.7552 0.6406 0.6451 -0.0403 -0.0339 -0.0053 283 ALA d O +39662 C CB . ALA V 273 ? 0.6846 0.5706 0.5702 -0.0373 -0.0383 -0.0070 283 ALA d CB +39663 N N . ILE V 274 ? 0.6680 0.5587 0.5597 -0.0365 -0.0343 -0.0033 284 ILE d N +39664 C CA . ILE V 274 ? 0.5998 0.4939 0.4961 -0.0376 -0.0333 -0.0026 284 ILE d CA +39665 C C . ILE V 274 ? 0.7087 0.5995 0.6034 -0.0377 -0.0311 -0.0016 284 ILE d C +39666 O O . ILE V 274 ? 0.5927 0.4838 0.4895 -0.0398 -0.0302 -0.0017 284 ILE d O +39667 C CB . ILE V 274 ? 0.7120 0.6106 0.6112 -0.0359 -0.0335 -0.0015 284 ILE d CB +39668 C CG1 . ILE V 274 ? 0.6638 0.5658 0.5650 -0.0361 -0.0358 -0.0027 284 ILE d CG1 +39669 C CG2 . ILE V 274 ? 0.6776 0.5791 0.5808 -0.0367 -0.0321 -0.0005 284 ILE d CG2 +39670 C CD1 . ILE V 274 ? 0.8898 0.7957 0.7931 -0.0342 -0.0361 -0.0016 284 ILE d CD1 +39671 N N . GLY V 275 ? 0.6427 0.5304 0.5335 -0.0355 -0.0303 -0.0005 285 GLY d N +39672 C CA . GLY V 275 ? 0.6345 0.5189 0.5234 -0.0353 -0.0284 0.0004 285 GLY d CA +39673 C C . GLY V 275 ? 0.6732 0.5532 0.5599 -0.0375 -0.0281 -0.0007 285 GLY d C +39674 O O . GLY V 275 ? 0.6814 0.5600 0.5685 -0.0388 -0.0268 -0.0003 285 GLY d O +39675 N N . VAL V 276 ? 0.6681 0.5455 0.5522 -0.0382 -0.0294 -0.0022 286 VAL d N +39676 C CA . VAL V 276 ? 0.6789 0.5517 0.5607 -0.0404 -0.0291 -0.0034 286 VAL d CA +39677 C C . VAL V 276 ? 0.6163 0.4916 0.5024 -0.0438 -0.0291 -0.0043 286 VAL d C +39678 O O . VAL V 276 ? 0.6588 0.5307 0.5437 -0.0457 -0.0279 -0.0045 286 VAL d O +39679 C CB . VAL V 276 ? 0.7622 0.6318 0.6402 -0.0403 -0.0306 -0.0049 286 VAL d CB +39680 C CG1 . VAL V 276 ? 0.6833 0.5492 0.5600 -0.0434 -0.0309 -0.0066 286 VAL d CG1 +39681 C CG2 . VAL V 276 ? 0.6500 0.5153 0.5227 -0.0373 -0.0299 -0.0040 286 VAL d CG2 +39682 N N . VAL V 277 ? 0.6787 0.5597 0.5695 -0.0444 -0.0302 -0.0047 287 VAL d N +39683 C CA . VAL V 277 ? 0.6984 0.5827 0.5939 -0.0473 -0.0300 -0.0055 287 VAL d CA +39684 C C . VAL V 277 ? 0.7525 0.6364 0.6489 -0.0475 -0.0278 -0.0040 287 VAL d C +39685 O O . VAL V 277 ? 0.6907 0.5736 0.5882 -0.0502 -0.0267 -0.0045 287 VAL d O +39686 C CB . VAL V 277 ? 0.6918 0.5827 0.5924 -0.0472 -0.0316 -0.0060 287 VAL d CB +39687 C CG1 . VAL V 277 ? 0.6797 0.5744 0.5855 -0.0500 -0.0310 -0.0066 287 VAL d CG1 +39688 C CG2 . VAL V 277 ? 0.7068 0.5978 0.6062 -0.0471 -0.0339 -0.0076 287 VAL d CG2 +39689 N N . GLY V 278 ? 0.6996 0.5845 0.5957 -0.0449 -0.0271 -0.0023 288 GLY d N +39690 C CA . GLY V 278 ? 0.5890 0.4731 0.4853 -0.0448 -0.0252 -0.0009 288 GLY d CA +39691 C C . GLY V 278 ? 0.6447 0.5222 0.5363 -0.0455 -0.0239 -0.0008 288 GLY d C +39692 O O . GLY V 278 ? 0.6772 0.5534 0.5692 -0.0472 -0.0224 -0.0006 288 GLY d O +39693 N N . LEU V 279 ? 0.6618 0.5350 0.5487 -0.0441 -0.0243 -0.0011 289 LEU d N +39694 C CA . LEU V 279 ? 0.6447 0.5112 0.5268 -0.0445 -0.0232 -0.0010 289 LEU d CA +39695 C C . LEU V 279 ? 0.7117 0.5757 0.5937 -0.0481 -0.0230 -0.0025 289 LEU d C +39696 O O . LEU V 279 ? 0.6669 0.5256 0.5456 -0.0490 -0.0216 -0.0023 289 LEU d O +39697 C CB . LEU V 279 ? 0.6507 0.5133 0.5279 -0.0420 -0.0237 -0.0009 289 LEU d CB +39698 C CG . LEU V 279 ? 0.7530 0.6172 0.6296 -0.0383 -0.0236 0.0005 289 LEU d CG +39699 C CD1 . LEU V 279 ? 0.6763 0.5358 0.5475 -0.0360 -0.0238 0.0005 289 LEU d CD1 +39700 C CD2 . LEU V 279 ? 0.6450 0.5100 0.5226 -0.0374 -0.0221 0.0021 289 LEU d CD2 +39701 N N . ALA V 280 ? 0.6882 0.5557 0.5736 -0.0502 -0.0244 -0.0041 290 ALA d N +39702 C CA . ALA V 280 ? 0.7418 0.6078 0.6281 -0.0540 -0.0241 -0.0056 290 ALA d CA +39703 C C . ALA V 280 ? 0.8080 0.6737 0.6957 -0.0557 -0.0220 -0.0048 290 ALA d C +39704 O O . ALA V 280 ? 0.7123 0.5739 0.5983 -0.0584 -0.0209 -0.0054 290 ALA d O +39705 C CB . ALA V 280 ? 0.6199 0.4916 0.5111 -0.0557 -0.0259 -0.0072 290 ALA d CB +39706 N N . LEU V 281 ? 0.6856 0.5556 0.5763 -0.0543 -0.0215 -0.0034 291 LEU d N +39707 C CA . LEU V 281 ? 0.7332 0.6038 0.6257 -0.0555 -0.0196 -0.0026 291 LEU d CA +39708 C C . LEU V 281 ? 0.6968 0.5633 0.5852 -0.0532 -0.0182 -0.0007 291 LEU d C +39709 O O . LEU V 281 ? 0.6858 0.5532 0.5754 -0.0535 -0.0167 0.0003 291 LEU d O +39710 C CB . LEU V 281 ? 0.6467 0.5248 0.5452 -0.0554 -0.0200 -0.0024 291 LEU d CB +39711 C CG . LEU V 281 ? 0.7745 0.6573 0.6772 -0.0569 -0.0217 -0.0042 291 LEU d CG +39712 C CD1 . LEU V 281 ? 0.7486 0.6385 0.6570 -0.0565 -0.0220 -0.0039 291 LEU d CD1 +39713 C CD2 . LEU V 281 ? 0.7818 0.6627 0.6849 -0.0608 -0.0213 -0.0058 291 LEU d CD2 +39714 N N . ASN V 282 ? 0.7103 0.5726 0.5939 -0.0507 -0.0186 -0.0003 292 ASN d N +39715 C CA . ASN V 282 ? 0.7334 0.5931 0.6137 -0.0478 -0.0177 0.0015 292 ASN d CA +39716 C C . ASN V 282 ? 0.7030 0.5683 0.5870 -0.0457 -0.0179 0.0027 292 ASN d C +39717 O O . ASN V 282 ? 0.7160 0.5802 0.5985 -0.0439 -0.0169 0.0041 292 ASN d O +39718 C CB . ASN V 282 ? 0.6336 0.4877 0.5105 -0.0489 -0.0159 0.0021 292 ASN d CB +39719 C CG . ASN V 282 ? 0.7495 0.5965 0.6213 -0.0503 -0.0156 0.0012 292 ASN d CG +39720 O OD1 . ASN V 282 ? 0.7208 0.5661 0.5906 -0.0495 -0.0168 0.0003 292 ASN d OD1 +39721 N ND2 . ASN V 282 ? 0.7010 0.5434 0.5704 -0.0523 -0.0139 0.0014 292 ASN d ND2 +39722 N N . LEU V 283 ? 0.6915 0.5629 0.5802 -0.0460 -0.0190 0.0022 293 LEU d N +39723 C CA . LEU V 283 ? 0.7385 0.6151 0.6305 -0.0441 -0.0192 0.0033 293 LEU d CA +39724 C C . LEU V 283 ? 0.6738 0.5499 0.5635 -0.0407 -0.0199 0.0040 293 LEU d C +39725 O O . LEU V 283 ? 0.7220 0.6009 0.6129 -0.0398 -0.0212 0.0036 293 LEU d O +39726 C CB . LEU V 283 ? 0.6743 0.5571 0.5718 -0.0454 -0.0202 0.0024 293 LEU d CB +39727 C CG . LEU V 283 ? 0.8817 0.7695 0.7835 -0.0452 -0.0197 0.0032 293 LEU d CG +39728 C CD1 . LEU V 283 ? 0.6742 0.5600 0.5754 -0.0462 -0.0179 0.0040 293 LEU d CD1 +39729 C CD2 . LEU V 283 ? 0.8549 0.7479 0.7617 -0.0469 -0.0207 0.0020 293 LEU d CD2 +39730 N N . ARG V 284 ? 0.6902 0.5623 0.5761 -0.0389 -0.0190 0.0051 294 ARG d N +39731 C CA . ARG V 284 ? 0.5715 0.4423 0.4545 -0.0359 -0.0194 0.0057 294 ARG d CA +39732 C C . ARG V 284 ? 0.7498 0.6248 0.6352 -0.0336 -0.0193 0.0070 294 ARG d C +39733 O O . ARG V 284 ? 0.6660 0.5435 0.5541 -0.0341 -0.0187 0.0077 294 ARG d O +39734 C CB . ARG V 284 ? 0.6742 0.5386 0.5519 -0.0348 -0.0185 0.0061 294 ARG d CB +39735 C CG . ARG V 284 ? 0.7480 0.6069 0.6224 -0.0370 -0.0183 0.0050 294 ARG d CG +39736 C CD . ARG V 284 ? 0.7433 0.5962 0.6133 -0.0367 -0.0170 0.0057 294 ARG d CD +39737 N NE . ARG V 284 ? 0.7952 0.6425 0.6617 -0.0388 -0.0167 0.0045 294 ARG d NE +39738 C CZ . ARG V 284 ? 0.8334 0.6749 0.6962 -0.0398 -0.0155 0.0047 294 ARG d CZ +39739 N NH1 . ARG V 284 ? 0.7621 0.6024 0.6238 -0.0387 -0.0145 0.0061 294 ARG d NH1 +39740 N NH2 . ARG V 284 ? 0.7438 0.5802 0.6036 -0.0419 -0.0154 0.0036 294 ARG d NH2 +39741 N N A SER V 285 ? 0.6604 0.5361 0.5448 -0.0311 -0.0199 0.0073 295 SER d N +39742 N N B SER V 285 ? 0.6610 0.5367 0.5454 -0.0311 -0.0199 0.0074 295 SER d N +39743 C CA A SER V 285 ? 0.7063 0.5842 0.5914 -0.0286 -0.0195 0.0086 295 SER d CA +39744 C CA B SER V 285 ? 0.7049 0.5829 0.5902 -0.0286 -0.0195 0.0087 295 SER d CA +39745 C C A SER V 285 ? 0.6601 0.5331 0.5407 -0.0268 -0.0188 0.0091 295 SER d C +39746 C C B SER V 285 ? 0.6598 0.5333 0.5407 -0.0266 -0.0188 0.0092 295 SER d C +39747 O O A SER V 285 ? 0.7074 0.5788 0.5854 -0.0247 -0.0190 0.0091 295 SER d O +39748 O O B SER V 285 ? 0.7308 0.6034 0.6097 -0.0244 -0.0190 0.0094 295 SER d O +39749 C CB A SER V 285 ? 0.6869 0.5682 0.5733 -0.0269 -0.0203 0.0087 295 SER d CB +39750 C CB B SER V 285 ? 0.6627 0.5448 0.5500 -0.0272 -0.0203 0.0089 295 SER d CB +39751 O OG A SER V 285 ? 0.8287 0.7141 0.7189 -0.0284 -0.0211 0.0083 295 SER d OG +39752 O OG B SER V 285 ? 0.7407 0.6202 0.6247 -0.0257 -0.0206 0.0084 295 SER d OG +39753 N N . TYR V 286 ? 0.6193 0.4896 0.4987 -0.0275 -0.0180 0.0095 296 TYR d N +39754 C CA . TYR V 286 ? 0.6981 0.5633 0.5728 -0.0257 -0.0174 0.0099 296 TYR d CA +39755 C C . TYR V 286 ? 0.6815 0.5486 0.5568 -0.0230 -0.0171 0.0112 296 TYR d C +39756 O O . TYR V 286 ? 0.6719 0.5370 0.5444 -0.0205 -0.0170 0.0114 296 TYR d O +39757 C CB . TYR V 286 ? 0.6770 0.5372 0.5490 -0.0277 -0.0166 0.0097 296 TYR d CB +39758 C CG . TYR V 286 ? 0.6539 0.5078 0.5203 -0.0259 -0.0161 0.0099 296 TYR d CG +39759 C CD1 . TYR V 286 ? 0.6307 0.4800 0.4934 -0.0261 -0.0164 0.0090 296 TYR d CD1 +39760 C CD2 . TYR V 286 ? 0.6484 0.5011 0.5133 -0.0238 -0.0156 0.0110 296 TYR d CD2 +39761 C CE1 . TYR V 286 ? 0.6844 0.5277 0.5417 -0.0241 -0.0160 0.0092 296 TYR d CE1 +39762 C CE2 . TYR V 286 ? 0.7267 0.5737 0.5864 -0.0218 -0.0153 0.0112 296 TYR d CE2 +39763 C CZ . TYR V 286 ? 0.6766 0.5189 0.5325 -0.0219 -0.0155 0.0103 296 TYR d CZ +39764 O OH . TYR V 286 ? 0.7150 0.5514 0.5656 -0.0197 -0.0152 0.0105 296 TYR d OH +39765 N N . ASP V 287 ? 0.6142 0.4851 0.4929 -0.0235 -0.0169 0.0118 297 ASP d N +39766 C CA . ASP V 287 ? 0.6416 0.5137 0.5206 -0.0214 -0.0166 0.0129 297 ASP d CA +39767 C C . ASP V 287 ? 0.7056 0.5842 0.5895 -0.0210 -0.0170 0.0134 297 ASP d C +39768 O O . ASP V 287 ? 0.6261 0.5079 0.5131 -0.0227 -0.0173 0.0130 297 ASP d O +39769 C CB . ASP V 287 ? 0.6290 0.4981 0.5062 -0.0222 -0.0159 0.0133 297 ASP d CB +39770 C CG . ASP V 287 ? 0.7136 0.5834 0.5929 -0.0255 -0.0155 0.0129 297 ASP d CG +39771 O OD1 . ASP V 287 ? 0.6888 0.5623 0.5716 -0.0270 -0.0159 0.0124 297 ASP d OD1 +39772 O OD2 . ASP V 287 ? 0.7778 0.6443 0.6551 -0.0265 -0.0147 0.0132 297 ASP d OD2 +39773 N N . PHE V 288 ? 0.5858 0.4661 0.4701 -0.0187 -0.0169 0.0142 298 PHE d N +39774 C CA . PHE V 288 ? 0.6332 0.5188 0.5217 -0.0186 -0.0171 0.0148 298 PHE d CA +39775 C C . PHE V 288 ? 0.6281 0.5126 0.5160 -0.0185 -0.0167 0.0154 298 PHE d C +39776 O O . PHE V 288 ? 0.7074 0.5896 0.5927 -0.0164 -0.0167 0.0158 298 PHE d O +39777 C CB . PHE V 288 ? 0.6439 0.5329 0.5339 -0.0163 -0.0173 0.0152 298 PHE d CB +39778 C CG . PHE V 288 ? 0.6820 0.5723 0.5725 -0.0163 -0.0176 0.0147 298 PHE d CG +39779 C CD1 . PHE V 288 ? 0.5890 0.4825 0.4826 -0.0180 -0.0180 0.0144 298 PHE d CD1 +39780 C CD2 . PHE V 288 ? 0.5995 0.4876 0.4872 -0.0146 -0.0176 0.0144 298 PHE d CD2 +39781 C CE1 . PHE V 288 ? 0.6048 0.4992 0.4985 -0.0179 -0.0183 0.0140 298 PHE d CE1 +39782 C CE2 . PHE V 288 ? 0.6317 0.5208 0.5195 -0.0145 -0.0178 0.0139 298 PHE d CE2 +39783 C CZ . PHE V 288 ? 0.5946 0.4869 0.4854 -0.0162 -0.0182 0.0138 298 PHE d CZ +39784 N N . ILE V 289 ? 0.7010 0.5871 0.5912 -0.0205 -0.0165 0.0155 299 ILE d N +39785 C CA . ILE V 289 ? 0.6369 0.5214 0.5259 -0.0206 -0.0161 0.0160 299 ILE d CA +39786 C C . ILE V 289 ? 0.6314 0.5179 0.5210 -0.0182 -0.0164 0.0167 299 ILE d C +39787 O O . ILE V 289 ? 0.6410 0.5246 0.5277 -0.0169 -0.0164 0.0171 299 ILE d O +39788 C CB . ILE V 289 ? 0.6816 0.5679 0.5733 -0.0232 -0.0157 0.0158 299 ILE d CB +39789 C CG1 . ILE V 289 ? 0.6342 0.5180 0.5249 -0.0256 -0.0153 0.0150 299 ILE d CG1 +39790 C CG2 . ILE V 289 ? 0.6146 0.4997 0.5052 -0.0231 -0.0153 0.0164 299 ILE d CG2 +39791 C CD1 . ILE V 289 ? 0.7029 0.5883 0.5961 -0.0281 -0.0148 0.0147 299 ILE d CD1 +39792 N N . SER V 290 ? 0.5919 0.4834 0.4851 -0.0175 -0.0169 0.0168 300 SER d N +39793 C CA . SER V 290 ? 0.6873 0.5815 0.5818 -0.0155 -0.0173 0.0174 300 SER d CA +39794 C C . SER V 290 ? 0.6224 0.5142 0.5139 -0.0128 -0.0174 0.0175 300 SER d C +39795 O O . SER V 290 ? 0.6840 0.5758 0.5748 -0.0111 -0.0177 0.0179 300 SER d O +39796 C CB . SER V 290 ? 0.6080 0.5077 0.5069 -0.0155 -0.0176 0.0175 300 SER d CB +39797 O OG . SER V 290 ? 0.6287 0.5290 0.5276 -0.0147 -0.0176 0.0172 300 SER d OG +39798 N N . GLN V 291 ? 0.6937 0.5838 0.5835 -0.0122 -0.0173 0.0171 301 GLN d N +39799 C CA . GLN V 291 ? 0.7501 0.6374 0.6367 -0.0096 -0.0174 0.0171 301 GLN d CA +39800 C C . GLN V 291 ? 0.7597 0.6415 0.6418 -0.0093 -0.0173 0.0173 301 GLN d C +39801 O O . GLN V 291 ? 0.6906 0.5709 0.5706 -0.0068 -0.0175 0.0176 301 GLN d O +39802 C CB . GLN V 291 ? 0.6931 0.5789 0.5782 -0.0093 -0.0172 0.0166 301 GLN d CB +39803 C CG . GLN V 291 ? 0.7458 0.6364 0.6343 -0.0092 -0.0173 0.0165 301 GLN d CG +39804 C CD . GLN V 291 ? 0.7921 0.6842 0.6806 -0.0063 -0.0173 0.0166 301 GLN d CD +39805 O OE1 . GLN V 291 ? 0.7743 0.6628 0.6592 -0.0045 -0.0172 0.0164 301 GLN d OE1 +39806 N NE2 . GLN V 291 ? 0.8464 0.7438 0.7388 -0.0059 -0.0173 0.0169 301 GLN d NE2 +39807 N N . GLU V 292 ? 0.6187 0.4972 0.4993 -0.0117 -0.0168 0.0171 302 GLU d N +39808 C CA . GLU V 292 ? 0.6435 0.5160 0.5193 -0.0116 -0.0165 0.0173 302 GLU d CA +39809 C C . GLU V 292 ? 0.6679 0.5408 0.5437 -0.0110 -0.0166 0.0179 302 GLU d C +39810 O O . GLU V 292 ? 0.6328 0.5017 0.5046 -0.0092 -0.0167 0.0183 302 GLU d O +39811 C CB . GLU V 292 ? 0.6229 0.4919 0.4972 -0.0146 -0.0158 0.0168 302 GLU d CB +39812 C CG . GLU V 292 ? 0.6407 0.5086 0.5144 -0.0152 -0.0158 0.0160 302 GLU d CG +39813 C CD . GLU V 292 ? 0.7133 0.5764 0.5823 -0.0130 -0.0158 0.0159 302 GLU d CD +39814 O OE1 . GLU V 292 ? 0.6778 0.5385 0.5441 -0.0107 -0.0159 0.0164 302 GLU d OE1 +39815 O OE2 . GLU V 292 ? 0.7328 0.5944 0.6009 -0.0135 -0.0158 0.0152 302 GLU d OE2 +39816 N N . ILE V 293 ? 0.6908 0.5681 0.5705 -0.0123 -0.0167 0.0181 303 ILE d N +39817 C CA . ILE V 293 ? 0.6730 0.5511 0.5528 -0.0117 -0.0169 0.0186 303 ILE d CA +39818 C C . ILE V 293 ? 0.6880 0.5678 0.5678 -0.0084 -0.0178 0.0189 303 ILE d C +39819 O O . ILE V 293 ? 0.7389 0.6161 0.6158 -0.0068 -0.0182 0.0193 303 ILE d O +39820 C CB . ILE V 293 ? 0.7076 0.5902 0.5918 -0.0137 -0.0169 0.0187 303 ILE d CB +39821 C CG1 . ILE V 293 ? 0.6919 0.5724 0.5757 -0.0168 -0.0159 0.0183 303 ILE d CG1 +39822 C CG2 . ILE V 293 ? 0.6311 0.5149 0.5155 -0.0128 -0.0173 0.0192 303 ILE d CG2 +39823 C CD1 . ILE V 293 ? 0.7783 0.6635 0.6666 -0.0187 -0.0158 0.0182 303 ILE d CD1 +39824 N N . ARG V 294 ? 0.6470 0.5312 0.5301 -0.0074 -0.0182 0.0187 304 ARG d N +39825 C CA . ARG V 294 ? 0.6728 0.5593 0.5565 -0.0044 -0.0190 0.0188 304 ARG d CA +39826 C C . ARG V 294 ? 0.8426 0.7242 0.7215 -0.0020 -0.0191 0.0188 304 ARG d C +39827 O O . ARG V 294 ? 0.7012 0.5820 0.5785 0.0004 -0.0198 0.0191 304 ARG d O +39828 C CB . ARG V 294 ? 0.7296 0.6217 0.6177 -0.0041 -0.0191 0.0186 304 ARG d CB +39829 C CG . ARG V 294 ? 0.6571 0.5518 0.5462 -0.0011 -0.0196 0.0186 304 ARG d CG +39830 C CD . ARG V 294 ? 0.7767 0.6749 0.6681 -0.0003 -0.0204 0.0188 304 ARG d CD +39831 N NE . ARG V 294 ? 0.8886 0.7901 0.7817 0.0025 -0.0210 0.0187 304 ARG d NE +39832 C CZ . ARG V 294 ? 0.9276 0.8341 0.8246 0.0027 -0.0208 0.0184 304 ARG d CZ +39833 N NH1 . ARG V 294 ? 0.8481 0.7565 0.7475 0.0005 -0.0201 0.0184 304 ARG d NH1 +39834 N NH2 . ARG V 294 ? 0.8822 0.7918 0.7808 0.0053 -0.0212 0.0182 304 ARG d NH2 +39835 N N . ALA V 295 ? 0.6628 0.5406 0.5391 -0.0024 -0.0185 0.0185 305 ALA d N +39836 C CA . ALA V 295 ? 0.7220 0.5948 0.5934 0.0000 -0.0186 0.0184 305 ALA d CA +39837 C C . ALA V 295 ? 0.7305 0.5973 0.5970 0.0002 -0.0186 0.0188 305 ALA d C +39838 O O . ALA V 295 ? 0.7085 0.5724 0.5716 0.0030 -0.0191 0.0190 305 ALA d O +39839 C CB . ALA V 295 ? 0.6426 0.5127 0.5123 -0.0007 -0.0180 0.0179 305 ALA d CB +39840 N N . ALA V 296 ? 0.6912 0.5561 0.5571 -0.0027 -0.0179 0.0190 306 ALA d N +39841 C CA . ALA V 296 ? 0.7223 0.5812 0.5833 -0.0027 -0.0177 0.0195 306 ALA d CA +39842 C C . ALA V 296 ? 0.6902 0.5507 0.5511 -0.0003 -0.0187 0.0200 306 ALA d C +39843 O O . ALA V 296 ? 0.7444 0.5999 0.6004 0.0018 -0.0190 0.0203 306 ALA d O +39844 C CB . ALA V 296 ? 0.6493 0.5069 0.5105 -0.0064 -0.0167 0.0195 306 ALA d CB +39845 N N . GLU V 297 ? 0.6693 0.5364 0.5354 -0.0003 -0.0193 0.0200 307 GLU d N +39846 C CA . GLU V 297 ? 0.8188 0.6879 0.6853 0.0016 -0.0204 0.0203 307 GLU d CA +39847 C C . GLU V 297 ? 0.7330 0.6052 0.6008 0.0051 -0.0215 0.0201 307 GLU d C +39848 O O . GLU V 297 ? 0.7384 0.6112 0.6055 0.0073 -0.0226 0.0203 307 GLU d O +39849 C CB . GLU V 297 ? 0.7174 0.5922 0.5890 -0.0003 -0.0205 0.0203 307 GLU d CB +39850 C CG . GLU V 297 ? 1.0057 0.8795 0.8777 -0.0039 -0.0194 0.0203 307 GLU d CG +39851 C CD . GLU V 297 ? 1.2045 1.0844 1.0819 -0.0054 -0.0196 0.0203 307 GLU d CD +39852 O OE1 . GLU V 297 ? 1.0946 0.9799 0.9761 -0.0043 -0.0203 0.0200 307 GLU d OE1 +39853 O OE2 . GLU V 297 ? 1.1362 1.0155 1.0136 -0.0076 -0.0190 0.0204 307 GLU d OE2 +39854 N N . ASP V 298 ? 0.6673 0.5419 0.5372 0.0057 -0.0213 0.0197 308 ASP d N +39855 C CA . ASP V 298 ? 0.6537 0.5326 0.5260 0.0088 -0.0221 0.0194 308 ASP d CA +39856 C C . ASP V 298 ? 0.7613 0.6366 0.6304 0.0107 -0.0218 0.0191 308 ASP d C +39857 O O . ASP V 298 ? 0.7484 0.6250 0.6191 0.0098 -0.0211 0.0187 308 ASP d O +39858 C CB . ASP V 298 ? 0.6776 0.5640 0.5565 0.0075 -0.0221 0.0191 308 ASP d CB +39859 C CG . ASP V 298 ? 0.6801 0.5714 0.5620 0.0103 -0.0227 0.0188 308 ASP d CG +39860 O OD1 . ASP V 298 ? 0.7946 0.6839 0.6738 0.0134 -0.0233 0.0187 308 ASP d OD1 +39861 O OD2 . ASP V 298 ? 0.7748 0.6719 0.6617 0.0094 -0.0225 0.0186 308 ASP d OD2 +39862 N N . PRO V 299 ? 0.8090 0.6795 0.6733 0.0134 -0.0223 0.0193 309 PRO d N +39863 C CA . PRO V 299 ? 0.7269 0.5932 0.5875 0.0154 -0.0220 0.0190 309 PRO d CA +39864 C C . PRO V 299 ? 0.6954 0.5669 0.5595 0.0178 -0.0222 0.0184 309 PRO d C +39865 O O . PRO V 299 ? 0.7207 0.5893 0.5820 0.0198 -0.0219 0.0181 309 PRO d O +39866 C CB . PRO V 299 ? 0.7134 0.5733 0.5678 0.0179 -0.0226 0.0193 309 PRO d CB +39867 C CG . PRO V 299 ? 0.7461 0.6057 0.6003 0.0164 -0.0230 0.0199 309 PRO d CG +39868 C CD . PRO V 299 ? 0.7264 0.5944 0.5877 0.0150 -0.0233 0.0197 309 PRO d CD +39869 N N . GLU V 300 ? 0.7141 0.5933 0.5842 0.0177 -0.0226 0.0183 310 GLU d N +39870 C CA . GLU V 300 ? 0.8017 0.6860 0.6754 0.0194 -0.0224 0.0178 310 GLU d CA +39871 C C . GLU V 300 ? 0.7764 0.6640 0.6537 0.0166 -0.0213 0.0176 310 GLU d C +39872 O O . GLU V 300 ? 0.7745 0.6658 0.6544 0.0177 -0.0209 0.0172 310 GLU d O +39873 C CB . GLU V 300 ? 0.7414 0.6322 0.6194 0.0214 -0.0235 0.0177 310 GLU d CB +39874 C CG . GLU V 300 ? 0.9999 0.8880 0.8745 0.0250 -0.0247 0.0177 310 GLU d CG +39875 C CD . GLU V 300 ? 0.9957 0.8907 0.8750 0.0270 -0.0259 0.0174 310 GLU d CD +39876 O OE1 . GLU V 300 ? 1.2887 1.1868 1.1707 0.0255 -0.0266 0.0175 310 GLU d OE1 +39877 O OE2 . GLU V 300 ? 1.1113 1.0087 0.9916 0.0301 -0.0262 0.0169 310 GLU d OE2 +39878 N N . PHE V 301 ? 0.7303 0.6165 0.6076 0.0131 -0.0209 0.0178 311 PHE d N +39879 C CA . PHE V 301 ? 0.7048 0.5938 0.5853 0.0106 -0.0200 0.0177 311 PHE d CA +39880 C C . PHE V 301 ? 0.7246 0.6088 0.6014 0.0103 -0.0192 0.0173 311 PHE d C +39881 O O . PHE V 301 ? 0.7136 0.5918 0.5862 0.0092 -0.0190 0.0174 311 PHE d O +39882 C CB . PHE V 301 ? 0.6454 0.5350 0.5275 0.0072 -0.0199 0.0180 311 PHE d CB +39883 C CG . PHE V 301 ? 0.7224 0.6151 0.6078 0.0046 -0.0192 0.0178 311 PHE d CG +39884 C CD1 . PHE V 301 ? 0.6686 0.5674 0.5587 0.0049 -0.0191 0.0177 311 PHE d CD1 +39885 C CD2 . PHE V 301 ? 0.6447 0.5340 0.5284 0.0020 -0.0187 0.0177 311 PHE d CD2 +39886 C CE1 . PHE V 301 ? 0.7058 0.6070 0.5985 0.0027 -0.0185 0.0176 311 PHE d CE1 +39887 C CE2 . PHE V 301 ? 0.7437 0.6357 0.6302 -0.0001 -0.0183 0.0176 311 PHE d CE2 +39888 C CZ . PHE V 301 ? 0.6522 0.5500 0.5431 0.0003 -0.0182 0.0176 311 PHE d CZ +39889 N N A GLU V 302 ? 0.6554 0.5423 0.5339 0.0111 -0.0187 0.0169 312 GLU d N +39890 N N B GLU V 302 ? 0.6554 0.5421 0.5338 0.0111 -0.0187 0.0169 312 GLU d N +39891 C CA A GLU V 302 ? 0.6980 0.5805 0.5730 0.0109 -0.0180 0.0165 312 GLU d CA +39892 C CA B GLU V 302 ? 0.6985 0.5810 0.5735 0.0109 -0.0180 0.0165 312 GLU d CA +39893 C C A GLU V 302 ? 0.7294 0.6159 0.6077 0.0096 -0.0173 0.0162 312 GLU d C +39894 C C B GLU V 302 ? 0.7311 0.6176 0.6094 0.0095 -0.0173 0.0162 312 GLU d C +39895 O O A GLU V 302 ? 0.6664 0.5586 0.5487 0.0107 -0.0172 0.0162 312 GLU d O +39896 O O B GLU V 302 ? 0.6658 0.5581 0.5482 0.0105 -0.0172 0.0163 312 GLU d O +39897 C CB A GLU V 302 ? 0.6672 0.5464 0.5385 0.0145 -0.0181 0.0162 312 GLU d CB +39898 C CB B GLU V 302 ? 0.6677 0.5469 0.5390 0.0145 -0.0180 0.0162 312 GLU d CB +39899 C CG A GLU V 302 ? 0.6782 0.5518 0.5450 0.0143 -0.0174 0.0157 312 GLU d CG +39900 C CG B GLU V 302 ? 0.6773 0.5507 0.5440 0.0142 -0.0174 0.0157 312 GLU d CG +39901 C CD A GLU V 302 ? 0.7306 0.5993 0.5925 0.0177 -0.0175 0.0154 312 GLU d CD +39902 C CD B GLU V 302 ? 0.7318 0.6001 0.5935 0.0176 -0.0175 0.0154 312 GLU d CD +39903 O OE1 A GLU V 302 ? 0.7590 0.6302 0.6220 0.0207 -0.0180 0.0155 312 GLU d OE1 +39904 O OE1 B GLU V 302 ? 0.7609 0.6316 0.6235 0.0206 -0.0180 0.0155 312 GLU d OE1 +39905 O OE2 A GLU V 302 ? 0.7227 0.5851 0.5798 0.0174 -0.0172 0.0151 312 GLU d OE2 +39906 O OE2 B GLU V 302 ? 0.7218 0.5838 0.5787 0.0172 -0.0172 0.0151 312 GLU d OE2 +39907 N N A THR V 303 ? 0.6907 0.5742 0.5673 0.0074 -0.0169 0.0160 313 THR d N +39908 N N B THR V 303 ? 0.6918 0.5753 0.5684 0.0073 -0.0170 0.0160 313 THR d N +39909 C CA A THR V 303 ? 0.6397 0.5261 0.5185 0.0062 -0.0164 0.0157 313 THR d CA +39910 C CA B THR V 303 ? 0.6393 0.5256 0.5181 0.0061 -0.0164 0.0157 313 THR d CA +39911 C C A THR V 303 ? 0.7187 0.5998 0.5930 0.0061 -0.0161 0.0151 313 THR d C +39912 C C B THR V 303 ? 0.7215 0.6025 0.5958 0.0060 -0.0161 0.0151 313 THR d C +39913 O O A THR V 303 ? 0.6908 0.5661 0.5608 0.0062 -0.0162 0.0149 313 THR d O +39914 O O B THR V 303 ? 0.6940 0.5691 0.5638 0.0063 -0.0162 0.0149 313 THR d O +39915 C CB A THR V 303 ? 0.6881 0.5774 0.5703 0.0029 -0.0165 0.0159 313 THR d CB +39916 C CB B THR V 303 ? 0.6899 0.5790 0.5720 0.0028 -0.0165 0.0159 313 THR d CB +39917 O OG1 A THR V 303 ? 0.6784 0.5630 0.5579 0.0006 -0.0167 0.0158 313 THR d OG1 +39918 O OG1 B THR V 303 ? 0.6797 0.5641 0.5591 0.0006 -0.0167 0.0158 313 THR d OG1 +39919 C CG2 A THR V 303 ? 0.5878 0.4816 0.4739 0.0027 -0.0169 0.0165 313 THR d CG2 +39920 C CG2 B THR V 303 ? 0.5862 0.4800 0.4724 0.0026 -0.0169 0.0165 313 THR d CG2 +39921 N N A PHE V 304 ? 0.6367 0.5197 0.5121 0.0056 -0.0156 0.0147 314 PHE d N +39922 N N B PHE V 304 ? 0.6363 0.5191 0.5115 0.0056 -0.0156 0.0147 314 PHE d N +39923 C CA A PHE V 304 ? 0.6568 0.5347 0.5279 0.0052 -0.0154 0.0140 314 PHE d CA +39924 C CA B PHE V 304 ? 0.6572 0.5350 0.5283 0.0051 -0.0154 0.0140 314 PHE d CA +39925 C C A PHE V 304 ? 0.6402 0.5145 0.5099 0.0021 -0.0159 0.0139 314 PHE d C +39926 C C B PHE V 304 ? 0.6400 0.5143 0.5097 0.0020 -0.0159 0.0139 314 PHE d C +39927 O O A PHE V 304 ? 0.7102 0.5791 0.5757 0.0017 -0.0159 0.0133 314 PHE d O +39928 O O B PHE V 304 ? 0.7125 0.5813 0.5779 0.0016 -0.0159 0.0133 314 PHE d O +39929 C CB A PHE V 304 ? 0.6150 0.4957 0.4874 0.0053 -0.0149 0.0137 314 PHE d CB +39930 C CB B PHE V 304 ? 0.6144 0.4949 0.4867 0.0052 -0.0149 0.0137 314 PHE d CB +39931 C CG A PHE V 304 ? 0.7065 0.5881 0.5781 0.0086 -0.0142 0.0136 314 PHE d CG +39932 C CG B PHE V 304 ? 0.7089 0.5905 0.5806 0.0085 -0.0142 0.0136 314 PHE d CG +39933 C CD1 A PHE V 304 ? 0.6122 0.4884 0.4788 0.0106 -0.0141 0.0130 314 PHE d CD1 +39934 C CD1 B PHE V 304 ? 0.6105 0.4869 0.4773 0.0106 -0.0141 0.0130 314 PHE d CD1 +39935 C CD2 A PHE V 304 ? 0.6198 0.5075 0.4955 0.0097 -0.0136 0.0139 314 PHE d CD2 +39936 C CD2 B PHE V 304 ? 0.6195 0.5072 0.4953 0.0096 -0.0137 0.0140 314 PHE d CD2 +39937 C CE1 A PHE V 304 ? 0.6977 0.5749 0.5637 0.0139 -0.0134 0.0128 314 PHE d CE1 +39938 C CE1 B PHE V 304 ? 0.6992 0.5767 0.5654 0.0138 -0.0133 0.0128 314 PHE d CE1 +39939 C CE2 A PHE V 304 ? 0.6107 0.4996 0.4860 0.0128 -0.0129 0.0137 314 PHE d CE2 +39940 C CE2 B PHE V 304 ? 0.6100 0.4991 0.4856 0.0126 -0.0129 0.0137 314 PHE d CE2 +39941 C CZ A PHE V 304 ? 0.6591 0.5429 0.5296 0.0150 -0.0127 0.0131 314 PHE d CZ +39942 C CZ B PHE V 304 ? 0.6596 0.5438 0.5304 0.0148 -0.0127 0.0132 314 PHE d CZ +39943 N N A TYR V 305 ? 0.6539 0.5311 0.5269 -0.0001 -0.0162 0.0143 315 TYR d N +39944 N N B TYR V 305 ? 0.6546 0.5320 0.5278 -0.0001 -0.0162 0.0143 315 TYR d N +39945 C CA A TYR V 305 ? 0.6245 0.4988 0.4967 -0.0030 -0.0165 0.0141 315 TYR d CA +39946 C CA B TYR V 305 ? 0.6245 0.4989 0.4967 -0.0031 -0.0165 0.0141 315 TYR d CA +39947 C C A TYR V 305 ? 0.6362 0.5048 0.5042 -0.0026 -0.0165 0.0142 315 TYR d C +39948 C C B TYR V 305 ? 0.6348 0.5035 0.5029 -0.0026 -0.0165 0.0142 315 TYR d C +39949 O O A TYR V 305 ? 0.7260 0.5894 0.5905 -0.0040 -0.0164 0.0136 315 TYR d O +39950 O O B TYR V 305 ? 0.7298 0.5933 0.5944 -0.0040 -0.0164 0.0136 315 TYR d O +39951 C CB A TYR V 305 ? 0.6388 0.5178 0.5156 -0.0051 -0.0167 0.0146 315 TYR d CB +39952 C CB B TYR V 305 ? 0.6380 0.5172 0.5149 -0.0051 -0.0167 0.0146 315 TYR d CB +39953 C CG A TYR V 305 ? 0.6754 0.5519 0.5516 -0.0077 -0.0168 0.0146 315 TYR d CG +39954 C CG B TYR V 305 ? 0.6764 0.5529 0.5526 -0.0077 -0.0168 0.0146 315 TYR d CG +39955 C CD1 A TYR V 305 ? 0.6466 0.5215 0.5224 -0.0103 -0.0169 0.0139 315 TYR d CD1 +39956 C CD1 B TYR V 305 ? 0.6476 0.5227 0.5235 -0.0103 -0.0169 0.0139 315 TYR d CD1 +39957 C CD2 A TYR V 305 ? 0.6088 0.4842 0.4846 -0.0076 -0.0168 0.0151 315 TYR d CD2 +39958 C CD2 B TYR V 305 ? 0.6076 0.4831 0.4834 -0.0076 -0.0168 0.0151 315 TYR d CD2 +39959 C CE1 A TYR V 305 ? 0.6719 0.5447 0.5474 -0.0128 -0.0169 0.0138 315 TYR d CE1 +39960 C CE1 B TYR V 305 ? 0.6726 0.5456 0.5482 -0.0128 -0.0169 0.0138 315 TYR d CE1 +39961 C CE2 A TYR V 305 ? 0.6305 0.5035 0.5055 -0.0100 -0.0167 0.0151 315 TYR d CE2 +39962 C CE2 B TYR V 305 ? 0.6302 0.5032 0.5053 -0.0100 -0.0167 0.0151 315 TYR d CE2 +39963 C CZ A TYR V 305 ? 0.6615 0.5333 0.5365 -0.0126 -0.0167 0.0144 315 TYR d CZ +39964 C CZ B TYR V 305 ? 0.6615 0.5334 0.5366 -0.0127 -0.0167 0.0144 315 TYR d CZ +39965 O OH A TYR V 305 ? 0.6276 0.4972 0.5021 -0.0151 -0.0164 0.0144 315 TYR d OH +39966 O OH B TYR V 305 ? 0.6264 0.4962 0.5011 -0.0152 -0.0164 0.0143 315 TYR d OH +39967 N N A THR V 306 ? 0.6488 0.5179 0.5169 -0.0008 -0.0166 0.0148 316 THR d N +39968 N N B THR V 306 ? 0.6492 0.5183 0.5173 -0.0008 -0.0166 0.0148 316 THR d N +39969 C CA A THR V 306 ? 0.6202 0.4833 0.4838 -0.0002 -0.0166 0.0149 316 THR d CA +39970 C CA B THR V 306 ? 0.6196 0.4827 0.4831 -0.0002 -0.0166 0.0149 316 THR d CA +39971 C C A THR V 306 ? 0.6471 0.5048 0.5056 0.0019 -0.0164 0.0144 316 THR d C +39972 C C B THR V 306 ? 0.6469 0.5046 0.5054 0.0018 -0.0164 0.0144 316 THR d C +39973 O O A THR V 306 ? 0.6389 0.4901 0.4928 0.0012 -0.0163 0.0142 316 THR d O +39974 O O B THR V 306 ? 0.6371 0.4884 0.4911 0.0011 -0.0163 0.0142 316 THR d O +39975 C CB A THR V 306 ? 0.6463 0.5111 0.5108 0.0017 -0.0169 0.0156 316 THR d CB +39976 C CB B THR V 306 ? 0.6464 0.5110 0.5107 0.0017 -0.0169 0.0156 316 THR d CB +39977 O OG1 A THR V 306 ? 0.6795 0.5479 0.5456 0.0048 -0.0170 0.0157 316 THR d OG1 +39978 O OG1 B THR V 306 ? 0.6805 0.5486 0.5463 0.0049 -0.0170 0.0157 316 THR d OG1 +39979 C CG2 A THR V 306 ? 0.6324 0.5014 0.5011 -0.0005 -0.0171 0.0161 316 THR d CG2 +39980 C CG2 B THR V 306 ? 0.6328 0.5016 0.5012 -0.0003 -0.0171 0.0161 316 THR d CG2 +39981 N N A LYS V 307 ? 0.6479 0.5079 0.5070 0.0043 -0.0163 0.0141 317 LYS d N +39982 N N B LYS V 307 ? 0.6474 0.5075 0.5066 0.0043 -0.0163 0.0141 317 LYS d N +39983 C CA A LYS V 307 ? 0.6416 0.4965 0.4959 0.0064 -0.0160 0.0135 317 LYS d CA +39984 C CA B LYS V 307 ? 0.6416 0.4966 0.4960 0.0063 -0.0160 0.0136 317 LYS d CA +39985 C C A LYS V 307 ? 0.6611 0.5113 0.5124 0.0039 -0.0159 0.0128 317 LYS d C +39986 C C B LYS V 307 ? 0.6613 0.5117 0.5127 0.0039 -0.0159 0.0128 317 LYS d C +39987 O O A LYS V 307 ? 0.7103 0.5538 0.5563 0.0044 -0.0158 0.0124 317 LYS d O +39988 O O B LYS V 307 ? 0.7117 0.5554 0.5579 0.0044 -0.0158 0.0124 317 LYS d O +39989 C CB A LYS V 307 ? 0.6611 0.5201 0.5171 0.0091 -0.0157 0.0134 317 LYS d CB +39990 C CB B LYS V 307 ? 0.6624 0.5214 0.5184 0.0091 -0.0158 0.0134 317 LYS d CB +39991 C CG A LYS V 307 ? 0.6371 0.4995 0.4949 0.0123 -0.0159 0.0139 317 LYS d CG +39992 C CG B LYS V 307 ? 0.6348 0.4968 0.4924 0.0124 -0.0159 0.0139 317 LYS d CG +39993 C CD A LYS V 307 ? 0.6846 0.5523 0.5454 0.0143 -0.0154 0.0137 317 LYS d CD +39994 C CD B LYS V 307 ? 0.6876 0.5554 0.5485 0.0144 -0.0154 0.0137 317 LYS d CD +39995 C CE A LYS V 307 ? 0.6865 0.5504 0.5433 0.0160 -0.0148 0.0129 317 LYS d CE +39996 C CE B LYS V 307 ? 0.6770 0.5417 0.5344 0.0161 -0.0148 0.0130 317 LYS d CE +39997 N NZ A LYS V 307 ? 0.7275 0.5864 0.5796 0.0193 -0.0149 0.0127 317 LYS d NZ +39998 N NZ B LYS V 307 ? 0.7305 0.5903 0.5833 0.0194 -0.0149 0.0128 317 LYS d NZ +39999 N N A ASN V 308 ? 0.6579 0.5114 0.5123 0.0012 -0.0160 0.0125 318 ASN d N +40000 N N B ASN V 308 ? 0.6574 0.5111 0.5120 0.0012 -0.0160 0.0125 318 ASN d N +40001 C CA A ASN V 308 ? 0.6496 0.4993 0.5016 -0.0011 -0.0161 0.0116 318 ASN d CA +40002 C CA B ASN V 308 ? 0.6502 0.5001 0.5024 -0.0011 -0.0161 0.0116 318 ASN d CA +40003 C C A ASN V 308 ? 0.6239 0.4690 0.4739 -0.0037 -0.0161 0.0116 318 ASN d C +40004 C C B ASN V 308 ? 0.6229 0.4679 0.4727 -0.0037 -0.0161 0.0115 318 ASN d C +40005 O O A ASN V 308 ? 0.6885 0.5280 0.5345 -0.0049 -0.0161 0.0108 318 ASN d O +40006 O O B ASN V 308 ? 0.6891 0.5285 0.5349 -0.0048 -0.0161 0.0108 318 ASN d O +40007 C CB A ASN V 308 ? 0.5861 0.4410 0.4423 -0.0029 -0.0163 0.0114 318 ASN d CB +40008 C CB B ASN V 308 ? 0.5831 0.4381 0.4393 -0.0030 -0.0163 0.0114 318 ASN d CB +40009 C CG A ASN V 308 ? 0.7309 0.5888 0.5877 -0.0005 -0.0161 0.0112 318 ASN d CG +40010 C CG B ASN V 308 ? 0.7336 0.5914 0.5904 -0.0007 -0.0161 0.0112 318 ASN d CG +40011 O OD1 A ASN V 308 ? 0.6500 0.5052 0.5036 0.0022 -0.0157 0.0110 318 ASN d OD1 +40012 O OD1 B ASN V 308 ? 0.6500 0.5051 0.5036 0.0021 -0.0157 0.0110 318 ASN d OD1 +40013 N ND2 A ASN V 308 ? 0.6449 0.5081 0.5057 -0.0015 -0.0162 0.0113 318 ASN d ND2 +40014 N ND2 B ASN V 308 ? 0.6446 0.5076 0.5053 -0.0017 -0.0162 0.0113 318 ASN d ND2 +40015 N N A LEU V 309 ? 0.6220 0.4690 0.4743 -0.0048 -0.0161 0.0123 319 LEU d N +40016 N N B LEU V 309 ? 0.6201 0.4671 0.4724 -0.0049 -0.0161 0.0123 319 LEU d N +40017 C CA A LEU V 309 ? 0.6774 0.5197 0.5273 -0.0072 -0.0159 0.0123 319 LEU d CA +40018 C CA B LEU V 309 ? 0.6770 0.5192 0.5269 -0.0073 -0.0159 0.0122 319 LEU d CA +40019 C C A LEU V 309 ? 0.6664 0.5012 0.5101 -0.0054 -0.0156 0.0123 319 LEU d C +40020 C C B LEU V 309 ? 0.6654 0.5001 0.5091 -0.0056 -0.0156 0.0122 319 LEU d C +40021 O O A LEU V 309 ? 0.6813 0.5102 0.5214 -0.0075 -0.0153 0.0118 319 LEU d O +40022 O O B LEU V 309 ? 0.6800 0.5089 0.5201 -0.0076 -0.0153 0.0118 319 LEU d O +40023 C CB A LEU V 309 ? 0.6347 0.4805 0.4880 -0.0081 -0.0158 0.0132 319 LEU d CB +40024 C CB B LEU V 309 ? 0.6352 0.4809 0.4885 -0.0083 -0.0158 0.0131 319 LEU d CB +40025 C CG A LEU V 309 ? 0.7182 0.5706 0.5773 -0.0104 -0.0161 0.0132 319 LEU d CG +40026 C CG B LEU V 309 ? 0.7197 0.5719 0.5787 -0.0106 -0.0161 0.0131 319 LEU d CG +40027 C CD1 A LEU V 309 ? 0.6530 0.5074 0.5144 -0.0116 -0.0159 0.0139 319 LEU d CD1 +40028 C CD1 B LEU V 309 ? 0.6546 0.5085 0.5158 -0.0121 -0.0159 0.0138 319 LEU d CD1 +40029 C CD2 A LEU V 309 ? 0.6803 0.5320 0.5398 -0.0133 -0.0162 0.0122 319 LEU d CD2 +40030 C CD2 B LEU V 309 ? 0.6826 0.5339 0.5418 -0.0134 -0.0162 0.0121 319 LEU d CD2 +40031 N N A LEU V 310 ? 0.7012 0.5359 0.5435 -0.0017 -0.0157 0.0128 320 LEU d N +40032 N N B LEU V 310 ? 0.7013 0.5360 0.5437 -0.0019 -0.0157 0.0127 320 LEU d N +40033 C CA A LEU V 310 ? 0.7049 0.5321 0.5409 0.0003 -0.0155 0.0127 320 LEU d CA +40034 C CA B LEU V 310 ? 0.7050 0.5323 0.5412 0.0002 -0.0155 0.0127 320 LEU d CA +40035 C C A LEU V 310 ? 0.7351 0.5571 0.5671 -0.0001 -0.0153 0.0117 320 LEU d C +40036 C C B LEU V 310 ? 0.7359 0.5580 0.5680 -0.0002 -0.0153 0.0117 320 LEU d C +40037 O O A LEU V 310 ? 0.7455 0.5602 0.5723 -0.0009 -0.0150 0.0114 320 LEU d O +40038 O O B LEU V 310 ? 0.7470 0.5617 0.5739 -0.0009 -0.0150 0.0114 320 LEU d O +40039 C CB A LEU V 310 ? 0.6916 0.5203 0.5273 0.0046 -0.0157 0.0133 320 LEU d CB +40040 C CB B LEU V 310 ? 0.6911 0.5200 0.5270 0.0045 -0.0157 0.0133 320 LEU d CB +40041 C CG A LEU V 310 ? 0.7239 0.5558 0.5621 0.0052 -0.0160 0.0143 320 LEU d CG +40042 C CG B LEU V 310 ? 0.7242 0.5565 0.5626 0.0052 -0.0160 0.0143 320 LEU d CG +40043 C CD1 A LEU V 310 ? 0.6979 0.5343 0.5381 0.0092 -0.0164 0.0146 320 LEU d CD1 +40044 C CD1 B LEU V 310 ? 0.6991 0.5353 0.5391 0.0093 -0.0164 0.0145 320 LEU d CD1 +40045 C CD2 A LEU V 310 ? 0.6473 0.4723 0.4805 0.0049 -0.0158 0.0147 320 LEU d CD2 +40046 C CD2 B LEU V 310 ? 0.6471 0.4725 0.4806 0.0047 -0.0158 0.0147 320 LEU d CD2 +40047 N N A LEU V 311 ? 0.7451 0.5709 0.5794 0.0003 -0.0155 0.0111 321 LEU d N +40048 N N B LEU V 311 ? 0.7472 0.5730 0.5815 0.0002 -0.0155 0.0111 321 LEU d N +40049 C CA A LEU V 311 ? 0.6970 0.5183 0.5276 -0.0002 -0.0155 0.0100 321 LEU d CA +40050 C CA B LEU V 311 ? 0.6973 0.5188 0.5281 -0.0004 -0.0155 0.0099 321 LEU d CA +40051 C C A LEU V 311 ? 0.7157 0.5340 0.5457 -0.0045 -0.0155 0.0093 321 LEU d C +40052 C C B LEU V 311 ? 0.7168 0.5354 0.5470 -0.0047 -0.0155 0.0093 321 LEU d C +40053 O O A LEU V 311 ? 0.7203 0.5316 0.5452 -0.0053 -0.0154 0.0086 321 LEU d O +40054 O O B LEU V 311 ? 0.7213 0.5331 0.5466 -0.0055 -0.0154 0.0085 321 LEU d O +40055 C CB A LEU V 311 ? 0.7324 0.5588 0.5658 0.0009 -0.0157 0.0095 321 LEU d CB +40056 C CB B LEU V 311 ? 0.7321 0.5588 0.5658 0.0008 -0.0157 0.0095 321 LEU d CB +40057 C CG A LEU V 311 ? 0.7896 0.6196 0.6242 0.0050 -0.0155 0.0100 321 LEU d CG +40058 C CG B LEU V 311 ? 0.7924 0.6225 0.6271 0.0049 -0.0155 0.0100 321 LEU d CG +40059 C CD1 A LEU V 311 ? 0.6914 0.5271 0.5293 0.0056 -0.0154 0.0097 321 LEU d CD1 +40060 C CD1 B LEU V 311 ? 0.6905 0.5265 0.5287 0.0054 -0.0155 0.0098 321 LEU d CD1 +40061 C CD2 A LEU V 311 ? 0.6818 0.5055 0.5106 0.0082 -0.0153 0.0098 321 LEU d CD2 +40062 C CD2 B LEU V 311 ? 0.6809 0.5046 0.5097 0.0081 -0.0153 0.0097 321 LEU d CD2 +40063 N N A ASN V 312 ? 0.6721 0.4956 0.5071 -0.0074 -0.0157 0.0095 322 ASN d N +40064 N N B ASN V 312 ? 0.6694 0.4930 0.5046 -0.0075 -0.0157 0.0095 322 ASN d N +40065 C CA A ASN V 312 ? 0.8132 0.6344 0.6481 -0.0115 -0.0157 0.0088 322 ASN d CA +40066 C CA B ASN V 312 ? 0.8172 0.6384 0.6521 -0.0116 -0.0157 0.0088 322 ASN d CA +40067 C C A ASN V 312 ? 0.7932 0.6075 0.6237 -0.0125 -0.0150 0.0090 322 ASN d C +40068 C C B ASN V 312 ? 0.7955 0.6097 0.6260 -0.0126 -0.0150 0.0090 322 ASN d C +40069 O O A ASN V 312 ? 0.7108 0.5199 0.5383 -0.0150 -0.0149 0.0082 322 ASN d O +40070 O O B ASN V 312 ? 0.7101 0.5189 0.5374 -0.0150 -0.0149 0.0081 322 ASN d O +40071 C CB A ASN V 312 ? 0.7042 0.5323 0.5453 -0.0140 -0.0159 0.0091 322 ASN d CB +40072 C CB B ASN V 312 ? 0.7041 0.5321 0.5452 -0.0142 -0.0159 0.0090 322 ASN d CB +40073 C CG A ASN V 312 ? 0.7749 0.6094 0.6202 -0.0134 -0.0165 0.0088 322 ASN d CG +40074 C CG B ASN V 312 ? 0.7773 0.6121 0.6228 -0.0134 -0.0165 0.0089 322 ASN d CG +40075 O OD1 A ASN V 312 ? 0.7054 0.5390 0.5489 -0.0120 -0.0168 0.0082 322 ASN d OD1 +40076 O OD1 B ASN V 312 ? 0.7056 0.5396 0.5494 -0.0122 -0.0168 0.0082 322 ASN d OD1 +40077 N ND2 A ASN V 312 ? 0.6558 0.4966 0.5064 -0.0146 -0.0166 0.0093 322 ASN d ND2 +40078 N ND2 B ASN V 312 ? 0.6524 0.4935 0.5032 -0.0141 -0.0166 0.0095 322 ASN d ND2 +40079 N N A GLU V 313 ? 0.7049 0.5189 0.5348 -0.0107 -0.0147 0.0102 323 GLU d N +40080 N N B GLU V 313 ? 0.7046 0.5186 0.5346 -0.0109 -0.0147 0.0101 323 GLU d N +40081 C CA A GLU V 313 ? 0.7107 0.5179 0.5361 -0.0115 -0.0140 0.0105 323 GLU d CA +40082 C CA B GLU V 313 ? 0.7091 0.5162 0.5345 -0.0116 -0.0140 0.0105 323 GLU d CA +40083 C C A GLU V 313 ? 0.7742 0.5730 0.5927 -0.0099 -0.0139 0.0100 323 GLU d C +40084 C C B GLU V 313 ? 0.7756 0.5744 0.5941 -0.0101 -0.0138 0.0100 323 GLU d C +40085 O O A GLU V 313 ? 0.7667 0.5586 0.5809 -0.0120 -0.0133 0.0097 323 GLU d O +40086 O O B GLU V 313 ? 0.7661 0.5580 0.5803 -0.0122 -0.0133 0.0096 323 GLU d O +40087 C CB A GLU V 313 ? 0.7363 0.5453 0.5625 -0.0093 -0.0139 0.0119 323 GLU d CB +40088 C CB B GLU V 313 ? 0.7375 0.5464 0.5637 -0.0096 -0.0139 0.0119 323 GLU d CB +40089 C CG A GLU V 313 ? 0.7500 0.5655 0.5820 -0.0116 -0.0139 0.0124 323 GLU d CG +40090 C CG B GLU V 313 ? 0.7483 0.5641 0.5806 -0.0118 -0.0139 0.0123 323 GLU d CG +40091 C CD A GLU V 313 ? 0.7411 0.5617 0.5760 -0.0089 -0.0143 0.0134 323 GLU d CD +40092 C CD B GLU V 313 ? 0.7414 0.5622 0.5765 -0.0090 -0.0143 0.0134 323 GLU d CD +40093 O OE1 A GLU V 313 ? 0.7259 0.5437 0.5575 -0.0056 -0.0144 0.0140 323 GLU d OE1 +40094 O OE1 B GLU V 313 ? 0.7312 0.5495 0.5631 -0.0056 -0.0144 0.0139 323 GLU d OE1 +40095 O OE2 A GLU V 313 ? 0.7331 0.5604 0.5735 -0.0101 -0.0145 0.0136 323 GLU d OE2 +40096 O OE2 B GLU V 313 ? 0.7353 0.5627 0.5758 -0.0102 -0.0144 0.0136 323 GLU d OE2 +40097 N N A GLY V 314 ? 0.7337 0.5330 0.5510 -0.0063 -0.0143 0.0099 324 GLY d N +40098 N N B GLY V 314 ? 0.7341 0.5332 0.5513 -0.0064 -0.0143 0.0099 324 GLY d N +40099 C CA A GLY V 314 ? 0.6755 0.4671 0.4863 -0.0048 -0.0142 0.0092 324 GLY d CA +40100 C CA B GLY V 314 ? 0.6733 0.4649 0.4842 -0.0048 -0.0141 0.0092 324 GLY d CA +40101 C C A GLY V 314 ? 0.7439 0.5326 0.5534 -0.0080 -0.0142 0.0078 324 GLY d C +40102 C C B GLY V 314 ? 0.7442 0.5329 0.5538 -0.0080 -0.0142 0.0078 324 GLY d C +40103 O O A GLY V 314 ? 0.7677 0.5485 0.5718 -0.0092 -0.0138 0.0073 324 GLY d O +40104 O O B GLY V 314 ? 0.7691 0.5498 0.5732 -0.0092 -0.0138 0.0073 324 GLY d O +40105 N N A ILE V 315 ? 0.7450 0.5400 0.5595 -0.0095 -0.0148 0.0072 325 ILE d N +40106 N N B ILE V 315 ? 0.7450 0.5400 0.5596 -0.0096 -0.0147 0.0072 325 ILE d N +40107 C CA A ILE V 315 ? 0.7418 0.5345 0.5554 -0.0126 -0.0151 0.0057 325 ILE d CA +40108 C CA B ILE V 315 ? 0.7405 0.5335 0.5543 -0.0127 -0.0151 0.0058 325 ILE d CA +40109 C C A ILE V 315 ? 0.7772 0.5657 0.5896 -0.0167 -0.0145 0.0055 325 ILE d C +40110 C C B ILE V 315 ? 0.7777 0.5665 0.5903 -0.0168 -0.0146 0.0055 325 ILE d C +40111 O O A ILE V 315 ? 0.7820 0.5638 0.5899 -0.0184 -0.0144 0.0045 325 ILE d O +40112 O O B ILE V 315 ? 0.7826 0.5649 0.5909 -0.0186 -0.0144 0.0044 325 ILE d O +40113 C CB A ILE V 315 ? 0.7697 0.5703 0.5890 -0.0136 -0.0158 0.0053 325 ILE d CB +40114 C CB B ILE V 315 ? 0.7695 0.5705 0.5892 -0.0136 -0.0158 0.0053 325 ILE d CB +40115 C CG1 A ILE V 315 ? 0.8141 0.6173 0.6334 -0.0099 -0.0161 0.0052 325 ILE d CG1 +40116 C CG1 B ILE V 315 ? 0.8171 0.6207 0.6367 -0.0099 -0.0161 0.0053 325 ILE d CG1 +40117 C CG2 A ILE V 315 ? 0.6906 0.4894 0.5096 -0.0173 -0.0163 0.0038 325 ILE d CG2 +40118 C CG2 B ILE V 315 ? 0.6907 0.4903 0.5104 -0.0174 -0.0163 0.0039 325 ILE d CG2 +40119 C CD1 A ILE V 315 ? 0.7132 0.5250 0.5386 -0.0104 -0.0167 0.0052 325 ILE d CD1 +40120 C CD1 B ILE V 315 ? 0.7123 0.5241 0.5377 -0.0104 -0.0167 0.0052 325 ILE d CD1 +40121 N N A ARG V 316 ? 0.7980 0.5904 0.6142 -0.0184 -0.0142 0.0063 326 ARG d N +40122 N N B ARG V 316 ? 0.7993 0.5918 0.6156 -0.0185 -0.0142 0.0063 326 ARG d N +40123 C CA A ARG V 316 ? 0.7702 0.5595 0.5860 -0.0226 -0.0135 0.0060 326 ARG d CA +40124 C CA B ARG V 316 ? 0.7701 0.5595 0.5861 -0.0227 -0.0135 0.0060 326 ARG d CA +40125 C C A ARG V 316 ? 0.8317 0.6113 0.6404 -0.0224 -0.0126 0.0062 326 ARG d C +40126 C C B ARG V 316 ? 0.8336 0.6132 0.6423 -0.0225 -0.0126 0.0062 326 ARG d C +40127 O O A ARG V 316 ? 0.7953 0.5694 0.6011 -0.0255 -0.0122 0.0052 326 ARG d O +40128 O O B ARG V 316 ? 0.7957 0.5698 0.6015 -0.0255 -0.0122 0.0052 326 ARG d O +40129 C CB A ARG V 316 ? 0.7503 0.5456 0.5715 -0.0240 -0.0131 0.0070 326 ARG d CB +40130 C CB B ARG V 316 ? 0.7505 0.5458 0.5717 -0.0241 -0.0131 0.0070 326 ARG d CB +40131 C CG A ARG V 316 ? 0.7153 0.5196 0.5436 -0.0253 -0.0139 0.0066 326 ARG d CG +40132 C CG B ARG V 316 ? 0.7150 0.5193 0.5433 -0.0255 -0.0139 0.0066 326 ARG d CG +40133 C CD A ARG V 316 ? 0.7120 0.5207 0.5448 -0.0278 -0.0134 0.0072 326 ARG d CD +40134 C CD B ARG V 316 ? 0.7115 0.5201 0.5444 -0.0281 -0.0134 0.0071 326 ARG d CD +40135 N NE A ARG V 316 ? 0.7248 0.5349 0.5580 -0.0255 -0.0130 0.0087 326 ARG d NE +40136 N NE B ARG V 316 ? 0.7272 0.5372 0.5604 -0.0258 -0.0130 0.0086 326 ARG d NE +40137 C CZ A ARG V 316 ? 0.7169 0.5338 0.5544 -0.0235 -0.0135 0.0095 326 ARG d CZ +40138 C CZ B ARG V 316 ? 0.7173 0.5340 0.5547 -0.0237 -0.0135 0.0094 326 ARG d CZ +40139 N NH1 A ARG V 316 ? 0.6838 0.5066 0.5255 -0.0233 -0.0144 0.0090 326 ARG d NH1 +40140 N NH1 B ARG V 316 ? 0.6814 0.5039 0.5229 -0.0234 -0.0144 0.0089 326 ARG d NH1 +40141 N NH2 A ARG V 316 ? 0.7484 0.5660 0.5859 -0.0217 -0.0131 0.0107 326 ARG d NH2 +40142 N NH2 B ARG V 316 ? 0.7496 0.5670 0.5871 -0.0220 -0.0131 0.0106 326 ARG d NH2 +40143 N N . ALA V 317 ? 0.7292 0.5066 0.5351 -0.0190 -0.0123 0.0074 327 ALA d N +40144 C CA . ALA V 317 ? 0.8145 0.5824 0.6134 -0.0187 -0.0114 0.0078 327 ALA d CA +40145 C C . ALA V 317 ? 0.7990 0.5595 0.5919 -0.0177 -0.0116 0.0067 327 ALA d C +40146 O O . ALA V 317 ? 0.8396 0.5921 0.6274 -0.0199 -0.0109 0.0063 327 ALA d O +40147 C CB . ALA V 317 ? 0.7337 0.5013 0.5310 -0.0149 -0.0113 0.0093 327 ALA d CB +40148 N N A TRP V 318 ? 0.7916 0.5547 0.5849 -0.0147 -0.0125 0.0063 328 TRP d N +40149 N N B TRP V 318 ? 0.7922 0.5553 0.5856 -0.0148 -0.0125 0.0063 328 TRP d N +40150 C CA A TRP V 318 ? 0.7935 0.5495 0.5808 -0.0132 -0.0126 0.0053 328 TRP d CA +40151 C CA B TRP V 318 ? 0.7934 0.5495 0.5808 -0.0132 -0.0126 0.0053 328 TRP d CA +40152 C C A TRP V 318 ? 0.8693 0.6235 0.6564 -0.0170 -0.0129 0.0036 328 TRP d C +40153 C C B TRP V 318 ? 0.8715 0.6258 0.6586 -0.0169 -0.0129 0.0036 328 TRP d C +40154 O O A TRP V 318 ? 0.8623 0.6085 0.6434 -0.0172 -0.0127 0.0027 328 TRP d O +40155 O O B TRP V 318 ? 0.8645 0.6108 0.6456 -0.0169 -0.0128 0.0027 328 TRP d O +40156 C CB A TRP V 318 ? 0.7461 0.5054 0.5338 -0.0084 -0.0133 0.0055 328 TRP d CB +40157 C CB B TRP V 318 ? 0.7451 0.5044 0.5328 -0.0083 -0.0132 0.0055 328 TRP d CB +40158 C CG A TRP V 318 ? 0.7963 0.5538 0.5815 -0.0043 -0.0130 0.0068 328 TRP d CG +40159 C CG B TRP V 318 ? 0.7970 0.5547 0.5824 -0.0043 -0.0130 0.0068 328 TRP d CG +40160 C CD1 A TRP V 318 ? 0.8103 0.5729 0.5992 -0.0035 -0.0129 0.0081 328 TRP d CD1 +40161 C CD1 B TRP V 318 ? 0.8108 0.5735 0.5998 -0.0035 -0.0129 0.0081 328 TRP d CD1 +40162 C CD2 A TRP V 318 ? 0.7557 0.5056 0.5340 -0.0007 -0.0128 0.0069 328 TRP d CD2 +40163 C CD2 B TRP V 318 ? 0.7532 0.5034 0.5317 -0.0006 -0.0128 0.0069 328 TRP d CD2 +40164 N NE1 A TRP V 318 ? 0.8353 0.5941 0.6201 0.0006 -0.0129 0.0090 328 TRP d NE1 +40165 N NE1 B TRP V 318 ? 0.8365 0.5956 0.6216 0.0006 -0.0129 0.0090 328 TRP d NE1 +40166 C CE2 A TRP V 318 ? 0.8040 0.5551 0.5824 0.0025 -0.0128 0.0083 328 TRP d CE2 +40167 C CE2 B TRP V 318 ? 0.8041 0.5555 0.5827 0.0025 -0.0128 0.0083 328 TRP d CE2 +40168 C CE3 A TRP V 318 ? 0.8355 0.5778 0.6076 0.0005 -0.0128 0.0058 328 TRP d CE3 +40169 C CE3 B TRP V 318 ? 0.8366 0.5791 0.6088 0.0006 -0.0128 0.0059 328 TRP d CE3 +40170 C CZ2 A TRP V 318 ? 0.7775 0.5225 0.5499 0.0068 -0.0128 0.0087 328 TRP d CZ2 +40171 C CZ2 B TRP V 318 ? 0.7775 0.5229 0.5502 0.0069 -0.0128 0.0087 328 TRP d CZ2 +40172 C CZ3 A TRP V 318 ? 0.8394 0.5754 0.6055 0.0047 -0.0127 0.0063 328 TRP d CZ3 +40173 C CZ3 B TRP V 318 ? 0.8400 0.5763 0.6063 0.0049 -0.0127 0.0063 328 TRP d CZ3 +40174 C CH2 A TRP V 318 ? 0.8015 0.5390 0.5679 0.0079 -0.0127 0.0077 328 TRP d CH2 +40175 C CH2 B TRP V 318 ? 0.8001 0.5381 0.5668 0.0080 -0.0127 0.0077 328 TRP d CH2 +40176 N N . MET V 319 ? 0.8218 0.5832 0.6152 -0.0199 -0.0134 0.0031 329 MET d N +40177 C CA . MET V 319 ? 0.7492 0.5095 0.5426 -0.0232 -0.0139 0.0014 329 MET d CA +40178 C C . MET V 319 ? 0.7841 0.5427 0.5786 -0.0284 -0.0134 0.0008 329 MET d C +40179 O O . MET V 319 ? 0.7910 0.5459 0.5837 -0.0313 -0.0136 -0.0007 329 MET d O +40180 C CB . MET V 319 ? 0.8334 0.6023 0.6325 -0.0229 -0.0151 0.0008 329 MET d CB +40181 C CG . MET V 319 ? 0.8863 0.6625 0.6924 -0.0266 -0.0154 0.0006 329 MET d CG +40182 S SD . MET V 319 ? 0.8352 0.6207 0.6472 -0.0259 -0.0169 -0.0001 329 MET d SD +40183 C CE . MET V 319 ? 0.7635 0.5450 0.5727 -0.0284 -0.0179 -0.0023 329 MET d CE +40184 N N . ALA V 320 ? 0.6766 0.4375 0.4738 -0.0298 -0.0125 0.0020 330 ALA d N +40185 C CA . ALA V 320 ? 0.8962 0.6571 0.6956 -0.0348 -0.0119 0.0014 330 ALA d CA +40186 C C . ALA V 320 ? 0.8153 0.5662 0.6083 -0.0375 -0.0110 0.0006 330 ALA d C +40187 O O . ALA V 320 ? 0.8303 0.5813 0.6251 -0.0419 -0.0110 -0.0008 330 ALA d O +40188 C CB . ALA V 320 ? 0.7054 0.4705 0.5085 -0.0354 -0.0110 0.0029 330 ALA d CB +40189 N N . PRO V 321 ? 0.8494 0.5916 0.6353 -0.0353 -0.0102 0.0013 331 PRO d N +40190 C CA . PRO V 321 ? 0.9465 0.6789 0.7264 -0.0383 -0.0092 0.0005 331 PRO d CA +40191 C C . PRO V 321 ? 0.8456 0.5754 0.6240 -0.0402 -0.0101 -0.0015 331 PRO d C +40192 O O . PRO V 321 ? 0.9001 0.6279 0.6789 -0.0450 -0.0097 -0.0028 331 PRO d O +40193 C CB . PRO V 321 ? 0.8165 0.5406 0.5888 -0.0344 -0.0085 0.0017 331 PRO d CB +40194 C CG . PRO V 321 ? 0.8120 0.5428 0.5881 -0.0311 -0.0086 0.0035 331 PRO d CG +40195 C CD . PRO V 321 ? 0.9403 0.6813 0.7234 -0.0305 -0.0100 0.0029 331 PRO d CD +40196 N N A GLN V 322 ? 0.8085 0.5384 0.5852 -0.0367 -0.0113 -0.0020 332 GLN d N +40197 N N B GLN V 322 ? 0.8087 0.5390 0.5857 -0.0366 -0.0113 -0.0020 332 GLN d N +40198 C CA A GLN V 322 ? 0.8110 0.5383 0.5859 -0.0382 -0.0123 -0.0040 332 GLN d CA +40199 C CA B GLN V 322 ? 0.8109 0.5387 0.5860 -0.0379 -0.0123 -0.0040 332 GLN d CA +40200 C C A GLN V 322 ? 0.9198 0.6561 0.7021 -0.0409 -0.0135 -0.0052 332 GLN d C +40201 C C B GLN V 322 ? 0.9200 0.6563 0.7023 -0.0408 -0.0135 -0.0052 332 GLN d C +40202 O O A GLN V 322 ? 0.9238 0.6583 0.7056 -0.0439 -0.0142 -0.0071 332 GLN d O +40203 O O B GLN V 322 ? 0.9241 0.6585 0.7059 -0.0439 -0.0142 -0.0070 332 GLN d O +40204 C CB A GLN V 322 ? 0.9256 0.6497 0.6958 -0.0333 -0.0130 -0.0042 332 GLN d CB +40205 C CB B GLN V 322 ? 0.9060 0.6317 0.6771 -0.0328 -0.0131 -0.0040 332 GLN d CB +40206 C CG A GLN V 322 ? 0.8564 0.5703 0.6183 -0.0306 -0.0120 -0.0033 332 GLN d CG +40207 C CG B GLN V 322 ? 0.8880 0.6052 0.6518 -0.0292 -0.0121 -0.0028 332 GLN d CG +40208 C CD A GLN V 322 ? 1.1532 0.8625 0.9098 -0.0267 -0.0127 -0.0040 332 GLN d CD +40209 C CD B GLN V 322 ? 0.9184 0.6395 0.6844 -0.0263 -0.0115 -0.0007 332 GLN d CD +40210 O OE1 A GLN V 322 ? 1.0481 0.7613 0.8067 -0.0261 -0.0138 -0.0052 332 GLN d OE1 +40211 O OE1 B GLN V 322 ? 0.7114 0.4418 0.4843 -0.0264 -0.0119 -0.0001 332 GLN d OE1 +40212 N NE2 A GLN V 322 ? 1.1450 0.8455 0.8943 -0.0238 -0.0119 -0.0034 332 GLN d NE2 +40213 N NE2 B GLN V 322 ? 0.8566 0.5702 0.6163 -0.0236 -0.0107 0.0003 332 GLN d NE2 +40214 N N . ASP V 323 ? 0.9011 0.6471 0.6902 -0.0398 -0.0139 -0.0042 333 ASP d N +40215 C CA . ASP V 323 ? 0.7475 0.5020 0.5434 -0.0419 -0.0151 -0.0053 333 ASP d CA +40216 C C . ASP V 323 ? 0.8379 0.5947 0.6380 -0.0471 -0.0146 -0.0059 333 ASP d C +40217 O O . ASP V 323 ? 0.7374 0.4986 0.5416 -0.0499 -0.0157 -0.0074 333 ASP d O +40218 C CB . ASP V 323 ? 0.8094 0.5729 0.6105 -0.0386 -0.0158 -0.0041 333 ASP d CB +40219 C CG . ASP V 323 ? 0.9107 0.6826 0.7182 -0.0402 -0.0172 -0.0051 333 ASP d CG +40220 O OD1 . ASP V 323 ? 0.7998 0.5708 0.6058 -0.0401 -0.0185 -0.0066 333 ASP d OD1 +40221 O OD2 . ASP V 323 ? 0.7956 0.5748 0.6094 -0.0414 -0.0172 -0.0045 333 ASP d OD2 +40222 N N . GLN V 324 ? 0.7649 0.5192 0.5643 -0.0485 -0.0130 -0.0047 334 GLN d N +40223 C CA . GLN V 324 ? 0.8219 0.5782 0.6251 -0.0535 -0.0121 -0.0052 334 GLN d CA +40224 C C . GLN V 324 ? 0.8972 0.6435 0.6943 -0.0561 -0.0105 -0.0054 334 GLN d C +40225 O O . GLN V 324 ? 0.9143 0.6585 0.7106 -0.0568 -0.0088 -0.0041 334 GLN d O +40226 C CB . GLN V 324 ? 0.7996 0.5631 0.6084 -0.0531 -0.0115 -0.0037 334 GLN d CB +40227 C CG . GLN V 324 ? 0.7464 0.5193 0.5608 -0.0502 -0.0130 -0.0033 334 GLN d CG +40228 C CD . GLN V 324 ? 0.9726 0.7524 0.7924 -0.0499 -0.0123 -0.0019 334 GLN d CD +40229 O OE1 . GLN V 324 ? 0.8271 0.6087 0.6500 -0.0533 -0.0113 -0.0019 334 GLN d OE1 +40230 N NE2 . GLN V 324 ? 0.7879 0.5719 0.6091 -0.0458 -0.0129 -0.0006 334 GLN d NE2 +40231 N N . PRO V 325 ? 0.9275 0.6671 0.7200 -0.0575 -0.0109 -0.0070 335 PRO d N +40232 C CA . PRO V 325 ? 0.8590 0.5876 0.6443 -0.0593 -0.0093 -0.0070 335 PRO d CA +40233 C C . PRO V 325 ? 0.7916 0.5198 0.5791 -0.0644 -0.0076 -0.0071 335 PRO d C +40234 O O . PRO V 325 ? 0.9194 0.6397 0.7015 -0.0652 -0.0058 -0.0063 335 PRO d O +40235 C CB . PRO V 325 ? 0.9162 0.6394 0.6975 -0.0603 -0.0105 -0.0091 335 PRO d CB +40236 C CG . PRO V 325 ? 0.8634 0.5957 0.6514 -0.0610 -0.0124 -0.0105 335 PRO d CG +40237 C CD . PRO V 325 ? 0.8865 0.6275 0.6794 -0.0574 -0.0129 -0.0088 335 PRO d CD +40238 N N . HIS V 326 ? 0.8649 0.6015 0.6601 -0.0678 -0.0081 -0.0081 336 HIS d N +40239 C CA . HIS V 326 ? 0.9393 0.6764 0.7373 -0.0728 -0.0064 -0.0083 336 HIS d CA +40240 C C . HIS V 326 ? 0.9284 0.6668 0.7271 -0.0716 -0.0046 -0.0061 336 HIS d C +40241 O O . HIS V 326 ? 0.9497 0.6867 0.7491 -0.0754 -0.0027 -0.0060 336 HIS d O +40242 C CB . HIS V 326 ? 0.8311 0.5780 0.6378 -0.0760 -0.0075 -0.0099 336 HIS d CB +40243 C CG . HIS V 326 ? 1.0393 0.7962 0.8519 -0.0727 -0.0090 -0.0092 336 HIS d CG +40244 N ND1 . HIS V 326 ? 0.9344 0.6936 0.7469 -0.0692 -0.0111 -0.0096 336 HIS d ND1 +40245 C CD2 . HIS V 326 ? 0.9324 0.6971 0.7508 -0.0721 -0.0086 -0.0080 336 HIS d CD2 +40246 C CE1 . HIS V 326 ? 1.0083 0.7764 0.8264 -0.0669 -0.0119 -0.0087 336 HIS d CE1 +40247 N NE2 . HIS V 326 ? 0.9160 0.6875 0.7378 -0.0686 -0.0105 -0.0078 336 HIS d NE2 +40248 N N . GLU V 327 ? 1.0018 0.7431 0.8005 -0.0667 -0.0052 -0.0045 337 GLU d N +40249 C CA . GLU V 327 ? 0.9184 0.6607 0.7175 -0.0654 -0.0037 -0.0024 337 GLU d CA +40250 C C . GLU V 327 ? 0.9851 0.7166 0.7754 -0.0640 -0.0021 -0.0011 337 GLU d C +40251 O O . GLU V 327 ? 0.8866 0.6168 0.6760 -0.0641 -0.0005 0.0004 337 GLU d O +40252 C CB . GLU V 327 ? 0.8075 0.5578 0.6105 -0.0608 -0.0050 -0.0012 337 GLU d CB +40253 C CG . GLU V 327 ? 0.7278 0.4894 0.5398 -0.0619 -0.0063 -0.0020 337 GLU d CG +40254 C CD . GLU V 327 ? 0.8025 0.5696 0.6201 -0.0648 -0.0050 -0.0016 337 GLU d CD +40255 O OE1 . GLU V 327 ? 0.9121 0.6743 0.7266 -0.0661 -0.0030 -0.0006 337 GLU d OE1 +40256 O OE2 . GLU V 327 ? 0.8679 0.6442 0.6927 -0.0655 -0.0060 -0.0021 337 GLU d OE2 +40257 N N . ASN V 328 ? 0.9278 0.6513 0.7115 -0.0625 -0.0026 -0.0017 338 ASN d N +40258 C CA . ASN V 328 ? 1.0402 0.7527 0.8148 -0.0606 -0.0014 -0.0005 338 ASN d CA +40259 C C . ASN V 328 ? 0.8878 0.6018 0.6615 -0.0558 -0.0012 0.0017 338 ASN d C +40260 O O . ASN V 328 ? 0.9561 0.6645 0.7254 -0.0555 0.0003 0.0031 338 ASN d O +40261 C CB . ASN V 328 ? 1.0631 0.7686 0.8346 -0.0655 0.0010 -0.0007 338 ASN d CB +40262 C CG . ASN V 328 ? 1.4423 1.1431 1.2121 -0.0696 0.0009 -0.0028 338 ASN d CG +40263 O OD1 . ASN V 328 ? 1.4752 1.1677 1.2382 -0.0682 0.0005 -0.0033 338 ASN d OD1 +40264 N ND2 . ASN V 328 ? 1.3321 1.0385 1.1082 -0.0747 0.0012 -0.0042 338 ASN d ND2 +40265 N N . PHE V 329 ? 0.8894 0.6108 0.6671 -0.0520 -0.0030 0.0020 339 PHE d N +40266 C CA . PHE V 329 ? 0.9926 0.7151 0.7691 -0.0471 -0.0031 0.0039 339 PHE d CA +40267 C C . PHE V 329 ? 0.9168 0.6287 0.6840 -0.0438 -0.0029 0.0045 339 PHE d C +40268 O O . PHE V 329 ? 0.9925 0.7007 0.7564 -0.0423 -0.0038 0.0035 339 PHE d O +40269 C CB . PHE V 329 ? 0.8953 0.6275 0.6776 -0.0438 -0.0050 0.0039 339 PHE d CB +40270 C CG . PHE V 329 ? 0.8736 0.6163 0.6649 -0.0463 -0.0053 0.0035 339 PHE d CG +40271 C CD1 . PHE V 329 ? 0.8201 0.5654 0.6142 -0.0484 -0.0040 0.0045 339 PHE d CD1 +40272 C CD2 . PHE V 329 ? 0.8656 0.6154 0.6622 -0.0465 -0.0069 0.0023 339 PHE d CD2 +40273 C CE1 . PHE V 329 ? 0.7813 0.5362 0.5835 -0.0505 -0.0043 0.0041 339 PHE d CE1 +40274 C CE2 . PHE V 329 ? 0.8653 0.6247 0.6699 -0.0485 -0.0073 0.0020 339 PHE d CE2 +40275 C CZ . PHE V 329 ? 0.8195 0.5815 0.6270 -0.0505 -0.0060 0.0029 339 PHE d CZ +40276 N N . VAL V 330 ? 0.9202 0.6273 0.6831 -0.0424 -0.0017 0.0061 340 VAL d N +40277 C CA . VAL V 330 ? 0.9207 0.6190 0.6754 -0.0380 -0.0017 0.0070 340 VAL d CA +40278 C C . VAL V 330 ? 0.9400 0.6436 0.6966 -0.0333 -0.0024 0.0086 340 VAL d C +40279 O O . VAL V 330 ? 0.9962 0.7013 0.7538 -0.0337 -0.0016 0.0099 340 VAL d O +40280 C CB . VAL V 330 ? 1.0938 0.7805 0.8405 -0.0401 0.0002 0.0076 340 VAL d CB +40281 C CG1 . VAL V 330 ? 1.0192 0.6972 0.7574 -0.0351 0.0000 0.0086 340 VAL d CG1 +40282 C CG2 . VAL V 330 ? 0.9709 0.6525 0.7159 -0.0450 0.0009 0.0058 340 VAL d CG2 +40283 N N . PHE V 331 ? 0.8754 0.5821 0.6327 -0.0288 -0.0040 0.0085 341 PHE d N +40284 C CA . PHE V 331 ? 0.9584 0.6705 0.7179 -0.0241 -0.0049 0.0099 341 PHE d CA +40285 C C . PHE V 331 ? 0.9027 0.6065 0.6542 -0.0193 -0.0051 0.0106 341 PHE d C +40286 O O . PHE V 331 ? 0.9260 0.6286 0.6756 -0.0165 -0.0060 0.0098 341 PHE d O +40287 C CB . PHE V 331 ? 0.9536 0.6764 0.7205 -0.0225 -0.0064 0.0093 341 PHE d CB +40288 C CG . PHE V 331 ? 0.8383 0.5701 0.6135 -0.0265 -0.0064 0.0087 341 PHE d CG +40289 C CD1 . PHE V 331 ? 0.9089 0.6406 0.6854 -0.0306 -0.0051 0.0091 341 PHE d CD1 +40290 C CD2 . PHE V 331 ? 0.9041 0.6445 0.6855 -0.0261 -0.0077 0.0079 341 PHE d CD2 +40291 C CE1 . PHE V 331 ? 0.8746 0.6146 0.6588 -0.0341 -0.0051 0.0085 341 PHE d CE1 +40292 C CE2 . PHE V 331 ? 0.8319 0.5805 0.6208 -0.0295 -0.0078 0.0074 341 PHE d CE2 +40293 C CZ . PHE V 331 ? 0.8827 0.6313 0.6731 -0.0334 -0.0066 0.0077 341 PHE d CZ +40294 N N . PRO V 332 ? 0.9416 0.6395 0.6879 -0.0181 -0.0043 0.0120 342 PRO d N +40295 C CA . PRO V 332 ? 0.8960 0.5864 0.6349 -0.0130 -0.0047 0.0127 342 PRO d CA +40296 C C . PRO V 332 ? 0.9743 0.6721 0.7169 -0.0078 -0.0064 0.0128 342 PRO d C +40297 O O . PRO V 332 ? 0.8960 0.6043 0.6464 -0.0078 -0.0071 0.0129 342 PRO d O +40298 C CB . PRO V 332 ? 0.9321 0.6177 0.6667 -0.0126 -0.0037 0.0143 342 PRO d CB +40299 C CG . PRO V 332 ? 0.9055 0.5934 0.6438 -0.0184 -0.0023 0.0143 342 PRO d CG +40300 C CD . PRO V 332 ? 0.8687 0.5670 0.6160 -0.0209 -0.0030 0.0130 342 PRO d CD +40301 N N . GLU V 333 ? 0.8579 0.5500 0.5947 -0.0033 -0.0070 0.0127 343 GLU d N +40302 C CA . GLU V 333 ? 1.0222 0.7209 0.7623 0.0016 -0.0085 0.0127 343 GLU d CA +40303 C C . GLU V 333 ? 0.9007 0.6073 0.6457 0.0038 -0.0091 0.0139 343 GLU d C +40304 O O . GLU V 333 ? 1.0146 0.7307 0.7661 0.0057 -0.0101 0.0137 343 GLU d O +40305 C CB . GLU V 333 ? 0.9428 0.6334 0.6752 0.0066 -0.0089 0.0127 343 GLU d CB +40306 C CG . GLU V 333 ? 1.3512 1.0320 1.0771 0.0049 -0.0082 0.0116 343 GLU d CG +40307 C CD . GLU V 333 ? 1.5014 1.1753 1.2204 0.0103 -0.0088 0.0115 343 GLU d CD +40308 O OE1 . GLU V 333 ? 1.3615 1.0408 1.0828 0.0153 -0.0099 0.0119 343 GLU d OE1 +40309 O OE2 . GLU V 333 ? 1.3196 0.9827 1.0310 0.0096 -0.0081 0.0109 343 GLU d OE2 +40310 N N . GLU V 334 ? 0.8921 0.5948 0.6339 0.0037 -0.0085 0.0152 344 GLU d N +40311 C CA . GLU V 334 ? 0.8882 0.5971 0.6333 0.0065 -0.0093 0.0164 344 GLU d CA +40312 C C . GLU V 334 ? 0.8609 0.5806 0.6151 0.0034 -0.0093 0.0164 344 GLU d C +40313 O O . GLU V 334 ? 0.9556 0.6824 0.7141 0.0058 -0.0102 0.0171 344 GLU d O +40314 C CB . GLU V 334 ? 0.8419 0.5427 0.5803 0.0071 -0.0086 0.0177 344 GLU d CB +40315 C CG . GLU V 334 ? 0.9115 0.6082 0.6485 0.0014 -0.0069 0.0179 344 GLU d CG +40316 C CD . GLU V 334 ? 1.0130 0.6994 0.7414 0.0022 -0.0060 0.0192 344 GLU d CD +40317 O OE1 . GLU V 334 ? 0.9123 0.5886 0.6326 0.0039 -0.0058 0.0192 344 GLU d OE1 +40318 O OE2 . GLU V 334 ? 0.8712 0.5595 0.6006 0.0014 -0.0056 0.0203 344 GLU d OE2 +40319 N N . VAL V 335 ? 0.8330 0.5543 0.5903 -0.0017 -0.0085 0.0155 345 VAL d N +40320 C CA . VAL V 335 ? 0.8826 0.6141 0.6485 -0.0046 -0.0085 0.0155 345 VAL d CA +40321 C C . VAL V 335 ? 0.9608 0.7006 0.7331 -0.0041 -0.0095 0.0144 345 VAL d C +40322 O O . VAL V 335 ? 0.8450 0.5939 0.6247 -0.0056 -0.0098 0.0144 345 VAL d O +40323 C CB . VAL V 335 ? 0.8763 0.6058 0.6428 -0.0105 -0.0070 0.0152 345 VAL d CB +40324 C CG1 . VAL V 335 ? 0.9549 0.6750 0.7143 -0.0113 -0.0058 0.0162 345 VAL d CG1 +40325 C CG2 . VAL V 335 ? 0.8787 0.6069 0.6458 -0.0137 -0.0068 0.0136 345 VAL d CG2 +40326 N N . LEU V 336 ? 0.8551 0.5920 0.6247 -0.0021 -0.0100 0.0136 346 LEU d N +40327 C CA . LEU V 336 ? 0.8190 0.5631 0.5940 -0.0017 -0.0108 0.0125 346 LEU d CA +40328 C C . LEU V 336 ? 0.8298 0.5824 0.6097 0.0022 -0.0118 0.0131 346 LEU d C +40329 O O . LEU V 336 ? 0.8650 0.6155 0.6418 0.0066 -0.0123 0.0138 346 LEU d O +40330 C CB . LEU V 336 ? 0.8024 0.5404 0.5724 -0.0003 -0.0109 0.0115 346 LEU d CB +40331 C CG . LEU V 336 ? 0.8536 0.5838 0.6194 -0.0045 -0.0100 0.0105 346 LEU d CG +40332 C CD1 . LEU V 336 ? 0.8295 0.5527 0.5893 -0.0022 -0.0102 0.0096 346 LEU d CD1 +40333 C CD2 . LEU V 336 ? 0.8993 0.6357 0.6714 -0.0093 -0.0100 0.0096 346 LEU d CD2 +40334 N N A PRO V 337 ? 0.8451 0.6072 0.6326 0.0009 -0.0122 0.0129 347 PRO d N +40335 N N B PRO V 337 ? 0.8462 0.6084 0.6338 0.0008 -0.0122 0.0129 347 PRO d N +40336 C CA A PRO V 337 ? 0.8314 0.6017 0.6238 0.0043 -0.0131 0.0135 347 PRO d CA +40337 C CA B PRO V 337 ? 0.8325 0.6029 0.6250 0.0043 -0.0131 0.0134 347 PRO d CA +40338 C C A PRO V 337 ? 0.7884 0.5591 0.5798 0.0080 -0.0137 0.0128 347 PRO d C +40339 C C B PRO V 337 ? 0.7878 0.5587 0.5794 0.0079 -0.0137 0.0128 347 PRO d C +40340 O O A PRO V 337 ? 0.7653 0.5347 0.5561 0.0067 -0.0135 0.0117 347 PRO d O +40341 O O B PRO V 337 ? 0.7645 0.5341 0.5554 0.0067 -0.0135 0.0117 347 PRO d O +40342 C CB A PRO V 337 ? 0.7647 0.5439 0.5649 0.0011 -0.0132 0.0133 347 PRO d CB +40343 C CB B PRO V 337 ? 0.7644 0.5437 0.5647 0.0010 -0.0132 0.0133 347 PRO d CB +40344 C CG A PRO V 337 ? 0.8905 0.6672 0.6903 -0.0030 -0.0127 0.0122 347 PRO d CG +40345 C CG B PRO V 337 ? 0.8915 0.6682 0.6913 -0.0029 -0.0127 0.0122 347 PRO d CG +40346 C CD A PRO V 337 ? 0.8665 0.6324 0.6586 -0.0039 -0.0119 0.0122 347 PRO d CD +40347 C CD B PRO V 337 ? 0.8681 0.6340 0.6601 -0.0038 -0.0119 0.0121 347 PRO d CD +40348 N N A ARG V 338 ? 0.7645 0.5367 0.5555 0.0126 -0.0143 0.0133 348 ARG d N +40349 N N B ARG V 338 ? 0.7632 0.5358 0.5545 0.0125 -0.0143 0.0133 348 ARG d N +40350 C CA A ARG V 338 ? 0.8133 0.5861 0.6034 0.0166 -0.0146 0.0127 348 ARG d CA +40351 C CA B ARG V 338 ? 0.8153 0.5878 0.6052 0.0166 -0.0146 0.0128 348 ARG d CA +40352 C C A ARG V 338 ? 0.7664 0.5457 0.5600 0.0206 -0.0154 0.0134 348 ARG d C +40353 C C B ARG V 338 ? 0.7663 0.5456 0.5599 0.0206 -0.0154 0.0134 348 ARG d C +40354 O O A ARG V 338 ? 0.8000 0.5784 0.5926 0.0217 -0.0157 0.0143 348 ARG d O +40355 O O B ARG V 338 ? 0.7986 0.5779 0.5919 0.0215 -0.0157 0.0144 348 ARG d O +40356 C CB A ARG V 338 ? 0.8479 0.6101 0.6294 0.0189 -0.0144 0.0124 348 ARG d CB +40357 C CB B ARG V 338 ? 0.8492 0.6111 0.6304 0.0188 -0.0144 0.0125 348 ARG d CB +40358 C CG A ARG V 338 ? 0.8801 0.6338 0.6565 0.0151 -0.0137 0.0119 348 ARG d CG +40359 C CG B ARG V 338 ? 0.8821 0.6356 0.6584 0.0150 -0.0136 0.0119 348 ARG d CG +40360 C CD A ARG V 338 ? 0.8464 0.5892 0.6139 0.0177 -0.0135 0.0118 348 ARG d CD +40361 C CD B ARG V 338 ? 0.8463 0.5890 0.6137 0.0174 -0.0134 0.0118 348 ARG d CD +40362 N NE A ARG V 338 ? 0.8384 0.5801 0.6038 0.0212 -0.0137 0.0109 348 ARG d NE +40363 N NE B ARG V 338 ? 0.8382 0.5801 0.6038 0.0210 -0.0137 0.0109 348 ARG d NE +40364 C CZ A ARG V 338 ? 0.9434 0.6757 0.7012 0.0231 -0.0135 0.0104 348 ARG d CZ +40365 C CZ B ARG V 338 ? 0.9459 0.6784 0.7040 0.0229 -0.0135 0.0104 348 ARG d CZ +40366 N NH1 A ARG V 338 ? 0.8286 0.5514 0.5799 0.0218 -0.0130 0.0108 348 ARG d NH1 +40367 N NH1 B ARG V 338 ? 0.8225 0.5454 0.5740 0.0213 -0.0130 0.0107 348 ARG d NH1 +40368 N NH2 A ARG V 338 ? 0.7924 0.5245 0.5489 0.0263 -0.0137 0.0095 348 ARG d NH2 +40369 N NH2 B ARG V 338 ? 0.7905 0.5231 0.5474 0.0263 -0.0137 0.0096 348 ARG d NH2 +40370 N N A GLY V 339 ? 0.7486 0.5342 0.5461 0.0228 -0.0156 0.0129 349 GLY d N +40371 N N B GLY V 339 ? 0.7481 0.5329 0.5450 0.0229 -0.0156 0.0129 349 GLY d N +40372 C CA A GLY V 339 ? 0.7313 0.5226 0.5319 0.0268 -0.0163 0.0134 349 GLY d CA +40373 C CA B GLY V 339 ? 0.7310 0.5219 0.5312 0.0270 -0.0163 0.0133 349 GLY d CA +40374 C C A GLY V 339 ? 0.8352 0.6203 0.6297 0.0315 -0.0166 0.0134 349 GLY d C +40375 C C B GLY V 339 ? 0.8380 0.6228 0.6322 0.0316 -0.0166 0.0134 349 GLY d C +40376 O O A GLY V 339 ? 0.8077 0.5835 0.5952 0.0315 -0.0163 0.0133 349 GLY d O +40377 O O B GLY V 339 ? 0.8091 0.5845 0.5963 0.0317 -0.0163 0.0133 349 GLY d O +40378 N N A ASN V 340 ? 0.7832 0.5738 0.5806 0.0356 -0.0173 0.0136 350 ASN d N +40379 N N B ASN V 340 ? 0.7844 0.5747 0.5815 0.0357 -0.0172 0.0135 350 ASN d N +40380 C CA A ASN V 340 ? 0.7879 0.5736 0.5801 0.0406 -0.0177 0.0135 350 ASN d CA +40381 C CA B ASN V 340 ? 0.7882 0.5738 0.5803 0.0407 -0.0177 0.0135 350 ASN d CA +40382 C C A ASN V 340 ? 0.7935 0.5742 0.5815 0.0419 -0.0171 0.0125 350 ASN d C +40383 C C B ASN V 340 ? 0.7938 0.5747 0.5818 0.0423 -0.0171 0.0125 350 ASN d C +40384 O O A ASN V 340 ? 0.7889 0.5738 0.5802 0.0408 -0.0165 0.0118 350 ASN d O +40385 O O B ASN V 340 ? 0.7901 0.5753 0.5815 0.0412 -0.0166 0.0118 350 ASN d O +40386 C CB A ASN V 340 ? 0.7865 0.5803 0.5836 0.0446 -0.0185 0.0137 350 ASN d CB +40387 C CB B ASN V 340 ? 0.7867 0.5805 0.5838 0.0446 -0.0186 0.0137 350 ASN d CB +40388 C CG A ASN V 340 ? 0.7889 0.5780 0.5810 0.0494 -0.0194 0.0140 350 ASN d CG +40389 C CG B ASN V 340 ? 0.7886 0.5777 0.5807 0.0494 -0.0194 0.0140 350 ASN d CG +40390 O OD1 A ASN V 340 ? 0.8337 0.6169 0.6215 0.0490 -0.0198 0.0147 350 ASN d OD1 +40391 O OD1 B ASN V 340 ? 0.8359 0.6195 0.6240 0.0490 -0.0199 0.0148 350 ASN d OD1 +40392 N ND2 A ASN V 340 ? 0.8034 0.5950 0.5961 0.0541 -0.0197 0.0134 350 ASN d ND2 +40393 N ND2 B ASN V 340 ? 0.8039 0.5952 0.5964 0.0540 -0.0197 0.0134 350 ASN d ND2 +40394 N N A ALA V 341 ? 0.8221 0.5933 0.6023 0.0444 -0.0171 0.0124 351 ALA d N +40395 N N B ALA V 341 ? 0.8233 0.5948 0.6035 0.0448 -0.0172 0.0125 351 ALA d N +40396 C CA A ALA V 341 ? 0.7682 0.5336 0.5432 0.0468 -0.0167 0.0115 351 ALA d CA +40397 C CA B ALA V 341 ? 0.7640 0.5299 0.5393 0.0473 -0.0167 0.0115 351 ALA d CA +40398 C C A ALA V 341 ? 0.8206 0.5815 0.5933 0.0428 -0.0158 0.0107 351 ALA d C +40399 C C B ALA V 341 ? 0.8203 0.5815 0.5931 0.0432 -0.0159 0.0107 351 ALA d C +40400 O O A ALA V 341 ? 0.9058 0.6571 0.6712 0.0432 -0.0155 0.0102 351 ALA d O +40401 O O B ALA V 341 ? 0.9097 0.6612 0.6752 0.0435 -0.0156 0.0103 351 ALA d O +40402 C CB A ALA V 341 ? 0.7391 0.5120 0.5184 0.0508 -0.0167 0.0109 351 ALA d CB +40403 C CB B ALA V 341 ? 0.7383 0.5118 0.5180 0.0511 -0.0168 0.0109 351 ALA d CB +40404 N N A LEU V 342 ? 0.8028 0.5703 0.5814 0.0392 -0.0155 0.0104 352 LEU d N +40405 N N B LEU V 342 ? 0.8017 0.5695 0.5804 0.0396 -0.0155 0.0104 352 LEU d N +40406 C CA A LEU V 342 ? 0.7617 0.5261 0.5388 0.0355 -0.0149 0.0095 352 LEU d CA +40407 C CA B LEU V 342 ? 0.7595 0.5240 0.5366 0.0359 -0.0149 0.0095 352 LEU d CA +40408 C C A LEU V 342 ? 0.8354 0.5923 0.6084 0.0313 -0.0147 0.0097 352 LEU d C +40409 C C B LEU V 342 ? 0.8355 0.5927 0.6087 0.0316 -0.0147 0.0097 352 LEU d C +40410 O O A LEU V 342 ? 0.8686 0.6198 0.6380 0.0288 -0.0142 0.0089 352 LEU d O +40411 O O B LEU V 342 ? 0.8702 0.6218 0.6399 0.0290 -0.0143 0.0089 352 LEU d O +40412 C CB A LEU V 342 ? 0.7847 0.5586 0.5694 0.0330 -0.0147 0.0092 352 LEU d CB +40413 C CB B LEU V 342 ? 0.7860 0.5601 0.5707 0.0334 -0.0148 0.0092 352 LEU d CB +40414 C CG A LEU V 342 ? 0.8030 0.5845 0.5919 0.0367 -0.0147 0.0089 352 LEU d CG +40415 C CG B LEU V 342 ? 0.8058 0.5871 0.5945 0.0371 -0.0147 0.0089 352 LEU d CG +40416 C CD1 A LEU V 342 ? 0.7588 0.5484 0.5541 0.0338 -0.0144 0.0086 352 LEU d CD1 +40417 C CD1 B LEU V 342 ? 0.7580 0.5474 0.5531 0.0344 -0.0144 0.0086 352 LEU d CD1 +40418 C CD2 A LEU V 342 ? 0.7949 0.5706 0.5780 0.0405 -0.0143 0.0080 352 LEU d CD2 +40419 C CD2 B LEU V 342 ? 0.7938 0.5691 0.5765 0.0408 -0.0143 0.0080 352 LEU d CD2 +40420 O OXT A LEU V 342 ? 0.8478 0.6042 0.6211 0.0302 -0.0149 0.0107 352 LEU d OXT +40421 O OXT B LEU V 342 ? 0.8497 0.6064 0.6231 0.0305 -0.0149 0.0107 352 LEU d OXT +40422 N N . GLY W 6 ? 1.7114 1.5177 1.4400 -0.0104 -0.1287 -0.0635 6 GLY e N +40423 C CA . GLY W 6 ? 1.7864 1.5936 1.5166 -0.0132 -0.1334 -0.0676 6 GLY e CA +40424 C C . GLY W 6 ? 1.7391 1.5403 1.4662 -0.0160 -0.1321 -0.0695 6 GLY e C +40425 O O . GLY W 6 ? 1.8452 1.6426 1.5674 -0.0168 -0.1356 -0.0726 6 GLY e O +40426 N N . GLU W 7 ? 1.8402 1.6402 1.5700 -0.0173 -0.1272 -0.0675 7 GLU e N +40427 C CA . GLU W 7 ? 1.7498 1.5436 1.4765 -0.0197 -0.1254 -0.0688 7 GLU e CA +40428 C C . GLU W 7 ? 1.8115 1.5962 1.5265 -0.0163 -0.1232 -0.0678 7 GLU e C +40429 O O . GLU W 7 ? 1.7742 1.5579 1.4850 -0.0124 -0.1213 -0.0651 7 GLU e O +40430 C CB . GLU W 7 ? 1.7848 1.5812 1.5193 -0.0224 -0.1211 -0.0671 7 GLU e CB +40431 C CG . GLU W 7 ? 1.8891 1.6922 1.6342 -0.0272 -0.1230 -0.0691 7 GLU e CG +40432 C CD . GLU W 7 ? 1.6822 1.4944 1.4370 -0.0272 -0.1224 -0.0671 7 GLU e CD +40433 O OE1 . GLU W 7 ? 1.4450 1.2580 1.1987 -0.0239 -0.1200 -0.0639 7 GLU e OE1 +40434 O OE2 . GLU W 7 ? 1.5525 1.3710 1.3161 -0.0307 -0.1243 -0.0687 7 GLU e OE2 +40435 N N . ARG W 8 ? 1.5167 1.2945 1.2263 -0.0178 -0.1233 -0.0700 8 ARG e N +40436 C CA . ARG W 8 ? 1.5563 1.3250 1.2543 -0.0148 -0.1216 -0.0697 8 ARG e CA +40437 C C . ARG W 8 ? 1.5277 1.2936 1.2251 -0.0138 -0.1156 -0.0666 8 ARG e C +40438 O O . ARG W 8 ? 1.5285 1.2965 1.2327 -0.0166 -0.1132 -0.0661 8 ARG e O +40439 C CB . ARG W 8 ? 1.6307 1.3932 1.3234 -0.0170 -0.1243 -0.0735 8 ARG e CB +40440 C CG . ARG W 8 ? 1.7148 1.4678 1.3946 -0.0137 -0.1238 -0.0740 8 ARG e CG +40441 C CD . ARG W 8 ? 1.4479 1.1963 1.1222 -0.0153 -0.1285 -0.0782 8 ARG e CD +40442 N NE . ARG W 8 ? 1.6674 1.4113 1.3418 -0.0189 -0.1276 -0.0802 8 ARG e NE +40443 C CZ . ARG W 8 ? 1.7437 1.4786 1.4095 -0.0179 -0.1254 -0.0806 8 ARG e CZ +40444 N NH1 . ARG W 8 ? 1.7391 1.4685 1.3953 -0.0134 -0.1237 -0.0792 8 ARG e NH1 +40445 N NH2 . ARG W 8 ? 1.5306 1.2617 1.1971 -0.0214 -0.1249 -0.0825 8 ARG e NH2 +40446 N N . PRO W 9 ? 1.3985 1.1597 1.0879 -0.0096 -0.1129 -0.0645 9 PRO e N +40447 C CA . PRO W 9 ? 1.4301 1.1892 1.1193 -0.0083 -0.1072 -0.0615 9 PRO e CA +40448 C C . PRO W 9 ? 1.5983 1.3521 1.2863 -0.0106 -0.1052 -0.0627 9 PRO e C +40449 O O . PRO W 9 ? 1.6270 1.3755 1.3100 -0.0119 -0.1076 -0.0657 9 PRO e O +40450 C CB . PRO W 9 ? 1.3561 1.1103 1.0355 -0.0036 -0.1056 -0.0599 9 PRO e CB +40451 C CG . PRO W 9 ? 1.3496 1.1061 1.0270 -0.0022 -0.1100 -0.0609 9 PRO e CG +40452 C CD . PRO W 9 ? 1.4225 1.1810 1.1035 -0.0058 -0.1150 -0.0645 9 PRO e CD +40453 N N . PHE W 10 ? 1.6060 1.3608 1.2983 -0.0109 -0.1007 -0.0603 10 PHE e N +40454 C CA . PHE W 10 ? 1.4753 1.2247 1.1660 -0.0126 -0.0983 -0.0610 10 PHE e CA +40455 C C . PHE W 10 ? 1.2670 1.0076 0.9466 -0.0094 -0.0965 -0.0611 10 PHE e C +40456 O O . PHE W 10 ? 1.5483 1.2824 1.2234 -0.0106 -0.0966 -0.0632 10 PHE e O +40457 C CB . PHE W 10 ? 1.4797 1.2327 1.1778 -0.0135 -0.0941 -0.0583 10 PHE e CB +40458 C CG . PHE W 10 ? 1.7282 1.4883 1.4370 -0.0174 -0.0954 -0.0587 10 PHE e CG +40459 C CD1 . PHE W 10 ? 1.5230 1.2818 1.2342 -0.0216 -0.0973 -0.0614 10 PHE e CD1 +40460 C CD2 . PHE W 10 ? 1.5787 1.3468 1.2951 -0.0171 -0.0947 -0.0564 10 PHE e CD2 +40461 C CE1 . PHE W 10 ? 1.2235 0.9889 0.9445 -0.0253 -0.0984 -0.0618 10 PHE e CE1 +40462 C CE2 . PHE W 10 ? 1.3417 1.1164 1.0678 -0.0207 -0.0959 -0.0568 10 PHE e CE2 +40463 C CZ . PHE W 10 ? 1.4686 1.2421 1.1971 -0.0248 -0.0977 -0.0595 10 PHE e CZ +40464 N N . SER W 11 ? 1.4330 1.1731 1.1080 -0.0053 -0.0946 -0.0589 11 SER e N +40465 C CA . SER W 11 ? 1.5672 1.2992 1.2317 -0.0020 -0.0924 -0.0588 11 SER e CA +40466 C C . SER W 11 ? 1.5678 1.2935 1.2240 -0.0021 -0.0963 -0.0622 11 SER e C +40467 O O . SER W 11 ? 1.3780 1.0960 1.0263 -0.0008 -0.0949 -0.0632 11 SER e O +40468 C CB . SER W 11 ? 1.4680 1.2012 1.1295 0.0022 -0.0899 -0.0558 11 SER e CB +40469 O OG . SER W 11 ? 1.7927 1.5319 1.4576 0.0024 -0.0927 -0.0554 11 SER e OG +40470 N N . ASP W 12 ? 1.1820 0.9110 0.8398 -0.0035 -0.1012 -0.0642 12 ASP e N +40471 C CA . ASP W 12 ? 1.5380 1.2614 1.1888 -0.0042 -0.1053 -0.0678 12 ASP e CA +40472 C C . ASP W 12 ? 1.4707 1.1919 1.1241 -0.0085 -0.1066 -0.0706 12 ASP e C +40473 O O . ASP W 12 ? 1.2784 0.9921 0.9244 -0.0088 -0.1079 -0.0731 12 ASP e O +40474 C CB . ASP W 12 ? 1.5120 1.2398 1.1637 -0.0042 -0.1103 -0.0691 12 ASP e CB +40475 C CG . ASP W 12 ? 1.7110 1.4414 1.3606 -0.0002 -0.1092 -0.0663 12 ASP e CG +40476 O OD1 . ASP W 12 ? 1.7848 1.5123 1.4305 0.0027 -0.1047 -0.0638 12 ASP e OD1 +40477 O OD2 . ASP W 12 ? 1.6815 1.4168 1.3336 -0.0001 -0.1127 -0.0667 12 ASP e OD2 +40478 N N . ILE W 13 ? 1.3906 1.1180 1.0546 -0.0120 -0.1062 -0.0701 13 ILE e N +40479 C CA . ILE W 13 ? 1.4068 1.1324 1.0739 -0.0165 -0.1074 -0.0726 13 ILE e CA +40480 C C . ILE W 13 ? 1.3589 1.0769 1.0211 -0.0160 -0.1035 -0.0722 13 ILE e C +40481 O O . ILE W 13 ? 1.2827 0.9935 0.9389 -0.0172 -0.1048 -0.0749 13 ILE e O +40482 C CB . ILE W 13 ? 1.3534 1.0878 1.0329 -0.0201 -0.1076 -0.0720 13 ILE e CB +40483 C CG1 . ILE W 13 ? 1.3572 1.0985 1.0412 -0.0210 -0.1124 -0.0733 13 ILE e CG1 +40484 C CG2 . ILE W 13 ? 1.1244 0.8563 0.8071 -0.0246 -0.1075 -0.0739 13 ILE e CG2 +40485 C CD1 . ILE W 13 ? 1.4763 1.2270 1.1725 -0.0240 -0.1125 -0.0724 13 ILE e CD1 +40486 N N . ILE W 14 ? 1.3517 1.0708 1.0161 -0.0141 -0.0987 -0.0689 14 ILE e N +40487 C CA . ILE W 14 ? 1.4972 1.2097 1.1581 -0.0138 -0.0950 -0.0684 14 ILE e CA +40488 C C . ILE W 14 ? 1.3640 1.0680 1.0131 -0.0099 -0.0937 -0.0688 14 ILE e C +40489 O O . ILE W 14 ? 1.3847 1.0823 1.0297 -0.0094 -0.0910 -0.0689 14 ILE e O +40490 C CB . ILE W 14 ? 1.4098 1.1267 1.0772 -0.0130 -0.0904 -0.0649 14 ILE e CB +40491 C CG1 . ILE W 14 ? 1.3112 1.0305 0.9767 -0.0085 -0.0880 -0.0619 14 ILE e CG1 +40492 C CG2 . ILE W 14 ? 1.3116 1.0366 0.9904 -0.0169 -0.0914 -0.0646 14 ILE e CG2 +40493 C CD1 . ILE W 14 ? 1.5864 1.3047 1.2521 -0.0062 -0.0827 -0.0590 14 ILE e CD1 +40494 N N . THR W 15 ? 1.3555 1.0591 0.9990 -0.0071 -0.0956 -0.0691 15 THR e N +40495 C CA . THR W 15 ? 1.3249 1.0199 0.9566 -0.0038 -0.0951 -0.0701 15 THR e CA +40496 C C . THR W 15 ? 1.3993 1.0895 1.0250 -0.0054 -0.1000 -0.0741 15 THR e C +40497 O O . THR W 15 ? 1.3615 1.0441 0.9769 -0.0028 -0.1001 -0.0753 15 THR e O +40498 C CB . THR W 15 ? 1.2843 0.9808 0.9119 0.0009 -0.0935 -0.0676 15 THR e CB +40499 O OG1 . THR W 15 ? 1.3128 1.0153 0.9436 0.0005 -0.0971 -0.0678 15 THR e OG1 +40500 C CG2 . THR W 15 ? 1.4493 1.1493 1.0815 0.0027 -0.0882 -0.0639 15 THR e CG2 +40501 N N . SER W 16 ? 1.3409 1.0351 0.9729 -0.0095 -0.1039 -0.0762 16 SER e N +40502 C CA . SER W 16 ? 1.4249 1.1153 1.0524 -0.0116 -0.1088 -0.0801 16 SER e CA +40503 C C . SER W 16 ? 1.5235 1.2070 1.1488 -0.0145 -0.1085 -0.0825 16 SER e C +40504 O O . SER W 16 ? 1.4648 1.1489 1.0954 -0.0164 -0.1055 -0.0813 16 SER e O +40505 C CB . SER W 16 ? 1.1970 0.8956 0.8327 -0.0147 -0.1133 -0.0815 16 SER e CB +40506 O OG . SER W 16 ? 1.3471 1.0478 0.9904 -0.0197 -0.1140 -0.0829 16 SER e OG +40507 N N . VAL W 17 ? 1.3307 1.0073 0.9480 -0.0150 -0.1117 -0.0859 17 VAL e N +40508 C CA . VAL W 17 ? 1.2017 0.8707 0.8156 -0.0177 -0.1116 -0.0883 17 VAL e CA +40509 C C . VAL W 17 ? 1.1415 0.8148 0.7647 -0.0235 -0.1139 -0.0901 17 VAL e C +40510 O O . VAL W 17 ? 1.2009 0.8708 0.8258 -0.0262 -0.1120 -0.0905 17 VAL e O +40511 C CB . VAL W 17 ? 1.4202 1.0804 1.0223 -0.0163 -0.1144 -0.0915 17 VAL e CB +40512 C CG1 . VAL W 17 ? 1.2846 0.9368 0.8834 -0.0197 -0.1151 -0.0946 17 VAL e CG1 +40513 C CG2 . VAL W 17 ? 1.2912 0.9463 0.8839 -0.0106 -0.1113 -0.0896 17 VAL e CG2 +40514 N N . ARG W 18 ? 1.1719 0.8528 0.8013 -0.0255 -0.1180 -0.0912 18 ARG e N +40515 C CA . ARG W 18 ? 1.3545 1.0398 0.9928 -0.0312 -0.1204 -0.0932 18 ARG e CA +40516 C C . ARG W 18 ? 1.3734 1.0634 1.0209 -0.0330 -0.1164 -0.0905 18 ARG e C +40517 O O . ARG W 18 ? 1.2606 0.9496 0.9123 -0.0374 -0.1162 -0.0918 18 ARG e O +40518 C CB . ARG W 18 ? 1.2703 0.9638 0.9139 -0.0325 -0.1254 -0.0947 18 ARG e CB +40519 C CG . ARG W 18 ? 1.3769 1.0758 1.0302 -0.0385 -0.1280 -0.0970 18 ARG e CG +40520 C CD . ARG W 18 ? 1.7997 1.5074 1.4589 -0.0395 -0.1329 -0.0984 18 ARG e CD +40521 N NE . ARG W 18 ? 2.1398 1.8567 1.8118 -0.0433 -0.1328 -0.0978 18 ARG e NE +40522 C CZ . ARG W 18 ? 2.2259 1.9512 1.9053 -0.0455 -0.1369 -0.0994 18 ARG e CZ +40523 N NH1 . ARG W 18 ? 2.0649 1.7907 1.7404 -0.0443 -0.1418 -0.1019 18 ARG e NH1 +40524 N NH2 . ARG W 18 ? 1.9093 1.6427 1.6001 -0.0487 -0.1361 -0.0986 18 ARG e NH2 +40525 N N . TYR W 19 ? 1.2413 0.9361 0.8918 -0.0297 -0.1132 -0.0867 19 TYR e N +40526 C CA . TYR W 19 ? 1.1507 0.8495 0.8091 -0.0309 -0.1091 -0.0839 19 TYR e CA +40527 C C . TYR W 19 ? 1.2541 0.9444 0.9082 -0.0313 -0.1056 -0.0838 19 TYR e C +40528 O O . TYR W 19 ? 1.1206 0.8114 0.7804 -0.0351 -0.1045 -0.0840 19 TYR e O +40529 C CB . TYR W 19 ? 1.1134 0.8175 0.7740 -0.0267 -0.1063 -0.0799 19 TYR e CB +40530 C CG . TYR W 19 ? 1.4754 1.1832 1.1433 -0.0273 -0.1019 -0.0769 19 TYR e CG +40531 C CD1 . TYR W 19 ? 1.1206 0.8372 0.7995 -0.0303 -0.1024 -0.0761 19 TYR e CD1 +40532 C CD2 . TYR W 19 ? 1.1468 0.8491 0.8106 -0.0249 -0.0974 -0.0749 19 TYR e CD2 +40533 C CE1 . TYR W 19 ? 1.1782 0.8979 0.8635 -0.0309 -0.0986 -0.0734 19 TYR e CE1 +40534 C CE2 . TYR W 19 ? 1.1999 0.9053 0.8701 -0.0254 -0.0936 -0.0723 19 TYR e CE2 +40535 C CZ . TYR W 19 ? 1.3597 1.0737 1.0405 -0.0285 -0.0943 -0.0715 19 TYR e CZ +40536 O OH . TYR W 19 ? 1.3519 1.0690 1.0390 -0.0290 -0.0906 -0.0689 19 TYR e OH +40537 N N . TRP W 20 ? 1.3189 1.0012 0.9628 -0.0274 -0.1039 -0.0835 20 TRP e N +40538 C CA . TRP W 20 ? 1.2978 0.9720 0.9372 -0.0271 -0.1003 -0.0832 20 TRP e CA +40539 C C . TRP W 20 ? 1.2570 0.9244 0.8936 -0.0313 -0.1025 -0.0868 20 TRP e C +40540 O O . TRP W 20 ? 1.3244 0.9876 0.9616 -0.0331 -0.1000 -0.0866 20 TRP e O +40541 C CB . TRP W 20 ? 1.1562 0.8242 0.7857 -0.0216 -0.0977 -0.0819 20 TRP e CB +40542 C CG . TRP W 20 ? 1.2952 0.9686 0.9281 -0.0180 -0.0939 -0.0779 20 TRP e CG +40543 C CD1 . TRP W 20 ? 1.2934 0.9705 0.9246 -0.0142 -0.0939 -0.0763 20 TRP e CD1 +40544 C CD2 . TRP W 20 ? 1.6618 1.3378 1.3006 -0.0179 -0.0898 -0.0750 20 TRP e CD2 +40545 N NE1 . TRP W 20 ? 1.4173 1.0991 1.0531 -0.0119 -0.0899 -0.0726 20 TRP e NE1 +40546 C CE2 . TRP W 20 ? 1.6193 1.3007 1.2599 -0.0141 -0.0874 -0.0718 20 TRP e CE2 +40547 C CE3 . TRP W 20 ? 1.3665 1.0406 1.0090 -0.0208 -0.0878 -0.0749 20 TRP e CE3 +40548 C CZ2 . TRP W 20 ? 1.6525 1.3376 1.2986 -0.0130 -0.0833 -0.0685 20 TRP e CZ2 +40549 C CZ3 . TRP W 20 ? 1.3969 1.0746 1.0447 -0.0195 -0.0838 -0.0716 20 TRP e CZ3 +40550 C CH2 . TRP W 20 ? 1.7468 1.4301 1.3965 -0.0157 -0.0816 -0.0685 20 TRP e CH2 +40551 N N . VAL W 21 ? 1.3207 0.9868 0.9541 -0.0329 -0.1071 -0.0901 21 VAL e N +40552 C CA . VAL W 21 ? 1.4152 1.0756 1.0470 -0.0375 -0.1094 -0.0937 21 VAL e CA +40553 C C . VAL W 21 ? 1.2190 0.8854 0.8619 -0.0427 -0.1093 -0.0936 21 VAL e C +40554 O O . VAL W 21 ? 1.2614 0.9228 0.9045 -0.0458 -0.1078 -0.0944 21 VAL e O +40555 C CB . VAL W 21 ? 1.5686 1.2276 1.1957 -0.0383 -0.1148 -0.0974 21 VAL e CB +40556 C CG1 . VAL W 21 ? 1.1932 0.8494 0.8220 -0.0443 -0.1178 -0.1012 21 VAL e CG1 +40557 C CG2 . VAL W 21 ? 1.2126 0.8629 0.8271 -0.0337 -0.1145 -0.0980 21 VAL e CG2 +40558 N N . ILE W 22 ? 1.2321 0.9092 0.8842 -0.0436 -0.1107 -0.0926 22 ILE e N +40559 C CA . ILE W 22 ? 1.3659 1.0495 1.0290 -0.0485 -0.1106 -0.0925 22 ILE e CA +40560 C C . ILE W 22 ? 1.3453 1.0277 1.0111 -0.0482 -0.1054 -0.0894 22 ILE e C +40561 O O . ILE W 22 ? 1.1941 0.8740 0.8627 -0.0522 -0.1044 -0.0902 22 ILE e O +40562 C CB . ILE W 22 ? 1.2539 0.9493 0.9259 -0.0487 -0.1130 -0.0917 22 ILE e CB +40563 C CG1 . ILE W 22 ? 1.3577 1.0546 1.0288 -0.0507 -0.1187 -0.0955 22 ILE e CG1 +40564 C CG2 . ILE W 22 ? 1.3557 1.0583 1.0391 -0.0524 -0.1113 -0.0904 22 ILE e CG2 +40565 C CD1 . ILE W 22 ? 1.4457 1.1531 1.1232 -0.0496 -0.1214 -0.0948 22 ILE e CD1 +40566 N N . HIS W 23 ? 1.1957 0.8796 0.8604 -0.0434 -0.1021 -0.0859 23 HIS e N +40567 C CA . HIS W 23 ? 1.3529 1.0382 1.0222 -0.0431 -0.0976 -0.0827 23 HIS e CA +40568 C C . HIS W 23 ? 1.4207 1.0957 1.0824 -0.0415 -0.0942 -0.0823 23 HIS e C +40569 O O . HIS W 23 ? 1.2304 0.9052 0.8956 -0.0423 -0.0908 -0.0803 23 HIS e O +40570 C CB . HIS W 23 ? 1.2424 0.9351 0.9154 -0.0391 -0.0956 -0.0792 23 HIS e CB +40571 C CG . HIS W 23 ? 1.2652 0.9686 0.9475 -0.0410 -0.0982 -0.0791 23 HIS e CG +40572 N ND1 . HIS W 23 ? 1.2447 0.9517 0.9259 -0.0398 -0.1019 -0.0803 23 HIS e ND1 +40573 C CD2 . HIS W 23 ? 1.1239 0.8347 0.8166 -0.0444 -0.0979 -0.0783 23 HIS e CD2 +40574 C CE1 . HIS W 23 ? 1.2623 0.9787 0.9530 -0.0421 -0.1038 -0.0802 23 HIS e CE1 +40575 N NE2 . HIS W 23 ? 1.2853 1.0043 0.9832 -0.0449 -0.1013 -0.0789 23 HIS e NE2 +40576 N N . SER W 24 ? 1.1800 0.8464 0.8312 -0.0394 -0.0951 -0.0842 24 SER e N +40577 C CA . SER W 24 ? 1.1576 0.8136 0.8015 -0.0386 -0.0923 -0.0844 24 SER e CA +40578 C C . SER W 24 ? 1.2069 0.8590 0.8529 -0.0442 -0.0930 -0.0865 24 SER e C +40579 O O . SER W 24 ? 1.1058 0.7502 0.7479 -0.0442 -0.0902 -0.0862 24 SER e O +40580 C CB . SER W 24 ? 1.3807 1.0283 1.0129 -0.0353 -0.0934 -0.0861 24 SER e CB +40581 O OG . SER W 24 ? 1.4450 1.0907 1.0749 -0.0384 -0.0980 -0.0899 24 SER e OG +40582 N N . ILE W 25 ? 1.1331 0.7903 0.7854 -0.0490 -0.0965 -0.0887 25 ILE e N +40583 C CA . ILE W 25 ? 1.2916 0.9463 0.9472 -0.0548 -0.0971 -0.0907 25 ILE e CA +40584 C C . ILE W 25 ? 1.5904 1.2531 1.2569 -0.0572 -0.0949 -0.0882 25 ILE e C +40585 O O . ILE W 25 ? 1.3191 0.9777 0.9862 -0.0588 -0.0919 -0.0872 25 ILE e O +40586 C CB . ILE W 25 ? 1.2967 0.9524 0.9530 -0.0590 -0.1022 -0.0947 25 ILE e CB +40587 C CG1 . ILE W 25 ? 1.6584 1.3046 1.3030 -0.0571 -0.1042 -0.0974 25 ILE e CG1 +40588 C CG2 . ILE W 25 ? 1.3718 1.0265 1.0331 -0.0655 -0.1026 -0.0966 25 ILE e CG2 +40589 C CD1 . ILE W 25 ? 1.4525 1.0865 1.0888 -0.0569 -0.1016 -0.0979 25 ILE e CD1 +40590 N N . THR W 26 ? 1.2374 0.9111 0.9121 -0.0573 -0.0963 -0.0872 26 THR e N +40591 C CA . THR W 26 ? 1.3231 1.0047 1.0086 -0.0604 -0.0949 -0.0855 26 THR e CA +40592 C C . THR W 26 ? 1.1673 0.8484 0.8538 -0.0576 -0.0900 -0.0817 26 THR e C +40593 O O . THR W 26 ? 1.1185 0.8000 0.8099 -0.0606 -0.0879 -0.0808 26 THR e O +40594 C CB . THR W 26 ? 1.3393 1.0328 1.0331 -0.0606 -0.0976 -0.0853 26 THR e CB +40595 O OG1 . THR W 26 ? 1.3100 1.0058 1.0008 -0.0549 -0.0972 -0.0832 26 THR e OG1 +40596 C CG2 . THR W 26 ? 1.1911 0.8861 0.8859 -0.0643 -0.1026 -0.0892 26 THR e CG2 +40597 N N . ILE W 27 ? 1.1072 0.7873 0.7890 -0.0520 -0.0881 -0.0795 27 ILE e N +40598 C CA . ILE W 27 ? 1.0427 0.7237 0.7259 -0.0489 -0.0837 -0.0757 27 ILE e CA +40599 C C . ILE W 27 ? 1.1190 0.7904 0.7974 -0.0495 -0.0808 -0.0756 27 ILE e C +40600 O O . ILE W 27 ? 1.2061 0.8792 0.8894 -0.0507 -0.0781 -0.0736 27 ILE e O +40601 C CB . ILE W 27 ? 1.1033 0.7856 0.7824 -0.0428 -0.0827 -0.0737 27 ILE e CB +40602 C CG1 . ILE W 27 ? 1.1284 0.8214 0.8143 -0.0424 -0.0849 -0.0730 27 ILE e CG1 +40603 C CG2 . ILE W 27 ? 0.9137 0.5942 0.5916 -0.0390 -0.0781 -0.0704 27 ILE e CG2 +40604 C CD1 . ILE W 27 ? 1.1987 0.8938 0.8813 -0.0368 -0.0839 -0.0710 27 ILE e CD1 +40605 N N . PRO W 28 ? 1.4480 1.1091 1.1169 -0.0490 -0.0813 -0.0778 28 PRO e N +40606 C CA . PRO W 28 ? 1.1375 0.7894 0.8023 -0.0502 -0.0788 -0.0778 28 PRO e CA +40607 C C . PRO W 28 ? 1.2144 0.8664 0.8845 -0.0566 -0.0796 -0.0794 28 PRO e C +40608 O O . PRO W 28 ? 1.1272 0.7758 0.7982 -0.0579 -0.0767 -0.0781 28 PRO e O +40609 C CB . PRO W 28 ? 1.2808 0.9220 0.9341 -0.0482 -0.0797 -0.0801 28 PRO e CB +40610 C CG . PRO W 28 ? 1.1141 0.7591 0.7649 -0.0440 -0.0812 -0.0799 28 PRO e CG +40611 C CD . PRO W 28 ? 1.2447 0.9012 0.9050 -0.0463 -0.0836 -0.0797 28 PRO e CD +40612 N N . ALA W 29 ? 1.1176 0.7734 0.7914 -0.0608 -0.0834 -0.0821 29 ALA e N +40613 C CA . ALA W 29 ? 1.2906 0.9472 0.9702 -0.0671 -0.0840 -0.0836 29 ALA e CA +40614 C C . ALA W 29 ? 1.2501 0.9147 0.9394 -0.0682 -0.0814 -0.0807 29 ALA e C +40615 O O . ALA W 29 ? 1.1879 0.8496 0.8792 -0.0717 -0.0795 -0.0804 29 ALA e O +40616 C CB . ALA W 29 ? 1.1559 0.8169 0.8387 -0.0710 -0.0886 -0.0870 29 ALA e CB +40617 N N . LEU W 30 ? 1.1157 0.7899 0.8105 -0.0654 -0.0813 -0.0784 30 LEU e N +40618 C CA . LEU W 30 ? 1.0856 0.7671 0.7892 -0.0662 -0.0789 -0.0756 30 LEU e CA +40619 C C . LEU W 30 ? 1.1277 0.8038 0.8279 -0.0632 -0.0745 -0.0727 30 LEU e C +40620 O O . LEU W 30 ? 1.0841 0.7599 0.7880 -0.0657 -0.0723 -0.0715 30 LEU e O +40621 C CB . LEU W 30 ? 1.1550 0.8478 0.8651 -0.0637 -0.0799 -0.0739 30 LEU e CB +40622 C CG . LEU W 30 ? 1.1733 0.8736 0.8894 -0.0671 -0.0840 -0.0764 30 LEU e CG +40623 C CD1 . LEU W 30 ? 1.2099 0.9188 0.9291 -0.0633 -0.0852 -0.0748 30 LEU e CD1 +40624 C CD2 . LEU W 30 ? 1.1124 0.8177 0.8375 -0.0726 -0.0837 -0.0767 30 LEU e CD2 +40625 N N . PHE W 31 ? 0.9972 0.6687 0.6900 -0.0578 -0.0733 -0.0716 31 PHE e N +40626 C CA . PHE W 31 ? 0.9987 0.6651 0.6878 -0.0544 -0.0694 -0.0690 31 PHE e CA +40627 C C . PHE W 31 ? 1.0310 0.6875 0.7158 -0.0573 -0.0680 -0.0701 31 PHE e C +40628 O O . PHE W 31 ? 1.0885 0.7438 0.7752 -0.0576 -0.0651 -0.0680 31 PHE e O +40629 C CB . PHE W 31 ? 1.0013 0.6641 0.6827 -0.0484 -0.0687 -0.0683 31 PHE e CB +40630 C CG . PHE W 31 ? 1.1754 0.8342 0.8535 -0.0443 -0.0648 -0.0656 31 PHE e CG +40631 C CD1 . PHE W 31 ? 1.0134 0.6613 0.6841 -0.0441 -0.0632 -0.0663 31 PHE e CD1 +40632 C CD2 . PHE W 31 ? 1.0731 0.7390 0.7553 -0.0404 -0.0628 -0.0625 31 PHE e CD2 +40633 C CE1 . PHE W 31 ? 1.1060 0.7502 0.7735 -0.0400 -0.0598 -0.0639 31 PHE e CE1 +40634 C CE2 . PHE W 31 ? 1.0758 0.7383 0.7551 -0.0365 -0.0593 -0.0601 31 PHE e CE2 +40635 C CZ . PHE W 31 ? 1.0951 0.7470 0.7672 -0.0362 -0.0579 -0.0608 31 PHE e CZ +40636 N N . ILE W 32 ? 1.0660 0.7150 0.7447 -0.0596 -0.0702 -0.0733 32 ILE e N +40637 C CA . ILE W 32 ? 1.0775 0.7162 0.7514 -0.0626 -0.0691 -0.0746 32 ILE e CA +40638 C C . ILE W 32 ? 1.0369 0.6792 0.7187 -0.0686 -0.0688 -0.0748 32 ILE e C +40639 O O . ILE W 32 ? 1.0461 0.6829 0.7269 -0.0701 -0.0663 -0.0739 32 ILE e O +40640 C CB . ILE W 32 ? 1.2427 0.8730 0.9085 -0.0638 -0.0718 -0.0783 32 ILE e CB +40641 C CG1 . ILE W 32 ? 1.1662 0.7906 0.8226 -0.0577 -0.0711 -0.0779 32 ILE e CG1 +40642 C CG2 . ILE W 32 ? 1.0213 0.6422 0.6838 -0.0686 -0.0713 -0.0801 32 ILE e CG2 +40643 C CD1 . ILE W 32 ? 1.4931 1.1113 1.1419 -0.0580 -0.0742 -0.0814 32 ILE e CD1 +40644 N N . ALA W 33 ? 0.9950 0.6467 0.6849 -0.0719 -0.0714 -0.0759 33 ALA e N +40645 C CA . ALA W 33 ? 1.1291 0.7850 0.8271 -0.0775 -0.0711 -0.0761 33 ALA e CA +40646 C C . ALA W 33 ? 1.2971 0.9574 1.0003 -0.0761 -0.0676 -0.0724 33 ALA e C +40647 O O . ALA W 33 ? 1.1211 0.7786 0.8260 -0.0793 -0.0655 -0.0718 33 ALA e O +40648 C CB . ALA W 33 ? 1.0412 0.7072 0.7470 -0.0808 -0.0747 -0.0780 33 ALA e CB +40649 N N . GLY W 34 ? 1.0743 0.7411 0.7796 -0.0711 -0.0668 -0.0698 34 GLY e N +40650 C CA . GLY W 34 ? 1.0380 0.7082 0.7474 -0.0693 -0.0634 -0.0663 34 GLY e CA +40651 C C . GLY W 34 ? 1.1013 0.7612 0.8036 -0.0674 -0.0603 -0.0650 34 GLY e C +40652 O O . GLY W 34 ? 1.0150 0.6743 0.7200 -0.0689 -0.0578 -0.0634 34 GLY e O +40653 N N . TRP W 35 ? 1.0729 0.7243 0.7657 -0.0640 -0.0604 -0.0658 35 TRP e N +40654 C CA . TRP W 35 ? 1.1210 0.7617 0.8061 -0.0619 -0.0576 -0.0649 35 TRP e CA +40655 C C . TRP W 35 ? 1.2077 0.8417 0.8921 -0.0674 -0.0569 -0.0662 35 TRP e C +40656 O O . TRP W 35 ? 1.1105 0.7406 0.7942 -0.0672 -0.0541 -0.0643 35 TRP e O +40657 C CB . TRP W 35 ? 1.1358 0.7684 0.8109 -0.0581 -0.0584 -0.0664 35 TRP e CB +40658 C CG . TRP W 35 ? 1.0644 0.6862 0.7313 -0.0552 -0.0556 -0.0654 35 TRP e CG +40659 C CD1 . TRP W 35 ? 1.1295 0.7413 0.7918 -0.0581 -0.0546 -0.0664 35 TRP e CD1 +40660 C CD2 . TRP W 35 ? 1.0623 0.6821 0.7246 -0.0487 -0.0535 -0.0633 35 TRP e CD2 +40661 N NE1 . TRP W 35 ? 1.1518 0.7555 0.8067 -0.0536 -0.0521 -0.0650 35 TRP e NE1 +40662 C CE2 . TRP W 35 ? 1.0951 0.7037 0.7500 -0.0478 -0.0514 -0.0632 35 TRP e CE2 +40663 C CE3 . TRP W 35 ? 1.0121 0.6384 0.6756 -0.0436 -0.0532 -0.0617 35 TRP e CE3 +40664 C CZ2 . TRP W 35 ? 1.1040 0.7081 0.7532 -0.0418 -0.0491 -0.0614 35 TRP e CZ2 +40665 C CZ3 . TRP W 35 ? 1.1211 0.7432 0.7791 -0.0379 -0.0508 -0.0599 35 TRP e CZ3 +40666 C CH2 . TRP W 35 ? 1.1639 0.7752 0.8150 -0.0370 -0.0488 -0.0599 35 TRP e CH2 +40667 N N . LEU W 36 ? 1.1292 0.7616 0.8137 -0.0724 -0.0596 -0.0694 36 LEU e N +40668 C CA . LEU W 36 ? 1.1725 0.7978 0.8558 -0.0779 -0.0589 -0.0709 36 LEU e CA +40669 C C . LEU W 36 ? 1.0770 0.7094 0.7697 -0.0817 -0.0575 -0.0694 36 LEU e C +40670 O O . LEU W 36 ? 1.1437 0.7702 0.8353 -0.0850 -0.0556 -0.0692 36 LEU e O +40671 C CB . LEU W 36 ? 1.2889 0.9111 0.9702 -0.0823 -0.0622 -0.0749 36 LEU e CB +40672 C CG . LEU W 36 ? 1.3253 0.9392 0.9966 -0.0792 -0.0638 -0.0768 36 LEU e CG +40673 C CD1 . LEU W 36 ? 1.1651 0.7794 0.8365 -0.0833 -0.0677 -0.0807 36 LEU e CD1 +40674 C CD2 . LEU W 36 ? 1.1705 0.7708 0.8322 -0.0781 -0.0614 -0.0766 36 LEU e CD2 +40675 N N . PHE W 37 ? 1.1255 0.7704 0.8272 -0.0814 -0.0585 -0.0684 37 PHE e N +40676 C CA . PHE W 37 ? 1.1322 0.7845 0.8429 -0.0846 -0.0571 -0.0668 37 PHE e CA +40677 C C . PHE W 37 ? 1.0536 0.7020 0.7625 -0.0823 -0.0532 -0.0636 37 PHE e C +40678 O O . PHE W 37 ? 1.0091 0.6576 0.7218 -0.0859 -0.0514 -0.0629 37 PHE e O +40679 C CB . PHE W 37 ? 1.1798 0.8456 0.8993 -0.0833 -0.0587 -0.0660 37 PHE e CB +40680 C CG . PHE W 37 ? 1.1271 0.8015 0.8565 -0.0867 -0.0576 -0.0648 37 PHE e CG +40681 C CD1 . PHE W 37 ? 1.0479 0.7237 0.7819 -0.0931 -0.0585 -0.0669 37 PHE e CD1 +40682 C CD2 . PHE W 37 ? 1.0483 0.7297 0.7824 -0.0833 -0.0558 -0.0615 37 PHE e CD2 +40683 C CE1 . PHE W 37 ? 1.1670 0.8508 0.9101 -0.0960 -0.0574 -0.0658 37 PHE e CE1 +40684 C CE2 . PHE W 37 ? 0.9666 0.6557 0.7095 -0.0863 -0.0548 -0.0604 37 PHE e CE2 +40685 C CZ . PHE W 37 ? 1.1291 0.8194 0.8765 -0.0925 -0.0555 -0.0625 37 PHE e CZ +40686 N N . VAL W 38 ? 0.9600 0.6046 0.6630 -0.0762 -0.0519 -0.0618 38 VAL e N +40687 C CA . VAL W 38 ? 0.9947 0.6350 0.6951 -0.0733 -0.0485 -0.0589 38 VAL e CA +40688 C C . VAL W 38 ? 1.0760 0.7022 0.7667 -0.0739 -0.0473 -0.0599 38 VAL e C +40689 O O . VAL W 38 ? 1.1135 0.7349 0.8035 -0.0763 -0.0451 -0.0590 38 VAL e O +40690 C CB . VAL W 38 ? 1.0322 0.6765 0.7318 -0.0663 -0.0477 -0.0565 38 VAL e CB +40691 C CG1 . VAL W 38 ? 1.0382 0.6757 0.7326 -0.0625 -0.0446 -0.0541 38 VAL e CG1 +40692 C CG2 . VAL W 38 ? 1.0577 0.7155 0.7673 -0.0659 -0.0482 -0.0549 38 VAL e CG2 +40693 N N . SER W 39 ? 1.2431 0.8623 0.9258 -0.0717 -0.0487 -0.0618 39 SER e N +40694 C CA . SER W 39 ? 1.1129 0.7182 0.7855 -0.0712 -0.0473 -0.0625 39 SER e CA +40695 C C . SER W 39 ? 1.1150 0.7141 0.7871 -0.0779 -0.0472 -0.0643 39 SER e C +40696 O O . SER W 39 ? 1.0993 0.6886 0.7657 -0.0782 -0.0450 -0.0636 39 SER e O +40697 C CB . SER W 39 ? 1.1837 0.7832 0.8483 -0.0682 -0.0491 -0.0645 39 SER e CB +40698 O OG . SER W 39 ? 1.1824 0.7837 0.8487 -0.0726 -0.0522 -0.0677 39 SER e OG +40699 N N . THR W 40 ? 1.0282 0.6330 0.7064 -0.0833 -0.0494 -0.0665 40 THR e N +40700 C CA . THR W 40 ? 0.9400 0.5403 0.6190 -0.0900 -0.0489 -0.0679 40 THR e CA +40701 C C . THR W 40 ? 1.1845 0.7887 0.8697 -0.0919 -0.0462 -0.0654 40 THR e C +40702 O O . THR W 40 ? 1.1300 0.7299 0.8156 -0.0974 -0.0452 -0.0662 40 THR e O +40703 C CB . THR W 40 ? 1.1980 0.8038 0.8823 -0.0954 -0.0521 -0.0712 40 THR e CB +40704 O OG1 . THR W 40 ? 1.2128 0.8327 0.9075 -0.0953 -0.0531 -0.0702 40 THR e OG1 +40705 C CG2 . THR W 40 ? 1.0804 0.6819 0.7582 -0.0936 -0.0550 -0.0739 40 THR e CG2 +40706 N N . GLY W 41 ? 1.1092 0.7214 0.7991 -0.0878 -0.0449 -0.0623 41 GLY e N +40707 C CA . GLY W 41 ? 1.0214 0.6379 0.7173 -0.0895 -0.0425 -0.0599 41 GLY e CA +40708 C C . GLY W 41 ? 1.0833 0.7106 0.7897 -0.0947 -0.0436 -0.0608 41 GLY e C +40709 O O . GLY W 41 ? 1.1899 0.8210 0.9017 -0.0967 -0.0416 -0.0590 41 GLY e O +40710 N N . LEU W 42 ? 1.0891 0.7215 0.7987 -0.0968 -0.0468 -0.0635 42 LEU e N +40711 C CA . LEU W 42 ? 1.1206 0.7637 0.8405 -0.1016 -0.0481 -0.0645 42 LEU e CA +40712 C C . LEU W 42 ? 1.2679 0.9229 0.9961 -0.0989 -0.0474 -0.0618 42 LEU e C +40713 O O . LEU W 42 ? 1.0688 0.7314 0.8053 -0.1026 -0.0470 -0.0616 42 LEU e O +40714 C CB . LEU W 42 ? 1.1024 0.7483 0.8233 -0.1036 -0.0520 -0.0680 42 LEU e CB +40715 C CG . LEU W 42 ? 1.1548 0.8110 0.8859 -0.1090 -0.0538 -0.0697 42 LEU e CG +40716 C CD1 . LEU W 42 ? 1.1351 0.7888 0.8690 -0.1150 -0.0516 -0.0700 42 LEU e CD1 +40717 C CD2 . LEU W 42 ? 1.2903 0.9471 1.0207 -0.1110 -0.0577 -0.0734 42 LEU e CD2 +40718 N N . ALA W 43 ? 0.9763 0.6330 0.7022 -0.0924 -0.0472 -0.0597 43 ALA e N +40719 C CA . ALA W 43 ? 1.0914 0.7590 0.8247 -0.0896 -0.0466 -0.0572 43 ALA e CA +40720 C C . ALA W 43 ? 1.0974 0.7653 0.8336 -0.0907 -0.0433 -0.0546 43 ALA e C +40721 O O . ALA W 43 ? 1.0501 0.7278 0.7950 -0.0919 -0.0430 -0.0535 43 ALA e O +40722 C CB . ALA W 43 ? 0.9476 0.6159 0.6772 -0.0826 -0.0467 -0.0555 43 ALA e CB +40723 N N . TYR W 44 ? 1.0154 0.6724 0.7444 -0.0903 -0.0409 -0.0537 44 TYR e N +40724 C CA . TYR W 44 ? 0.9536 0.6098 0.6844 -0.0915 -0.0379 -0.0514 44 TYR e CA +40725 C C . TYR W 44 ? 1.0835 0.7439 0.8214 -0.0983 -0.0377 -0.0526 44 TYR e C +40726 O O . TYR W 44 ? 1.0959 0.7628 0.8401 -0.0992 -0.0361 -0.0508 44 TYR e O +40727 C CB . TYR W 44 ? 0.9377 0.5805 0.6588 -0.0903 -0.0356 -0.0507 44 TYR e CB +40728 C CG . TYR W 44 ? 1.0827 0.7206 0.7966 -0.0835 -0.0353 -0.0493 44 TYR e CG +40729 C CD1 . TYR W 44 ? 1.0685 0.7098 0.7836 -0.0787 -0.0335 -0.0461 44 TYR e CD1 +40730 C CD2 . TYR W 44 ? 1.1673 0.7966 0.8730 -0.0819 -0.0365 -0.0511 44 TYR e CD2 +40731 C CE1 . TYR W 44 ? 1.0800 0.7169 0.7887 -0.0724 -0.0331 -0.0449 44 TYR e CE1 +40732 C CE2 . TYR W 44 ? 1.1066 0.7315 0.8057 -0.0756 -0.0360 -0.0499 44 TYR e CE2 +40733 C CZ . TYR W 44 ? 1.0786 0.7075 0.7795 -0.0709 -0.0342 -0.0468 44 TYR e CZ +40734 O OH . TYR W 44 ? 1.0748 0.6998 0.7697 -0.0647 -0.0337 -0.0457 44 TYR e OH +40735 N N . ASP W 45 ? 1.0828 0.7398 0.8197 -0.1032 -0.0392 -0.0557 45 ASP e N +40736 C CA . ASP W 45 ? 1.0331 0.6930 0.7761 -0.1099 -0.0386 -0.0569 45 ASP e CA +40737 C C . ASP W 45 ? 1.0817 0.7555 0.8355 -0.1117 -0.0407 -0.0578 45 ASP e C +40738 O O . ASP W 45 ? 1.0287 0.7081 0.7896 -0.1157 -0.0395 -0.0576 45 ASP e O +40739 C CB . ASP W 45 ? 1.0830 0.7337 0.8211 -0.1150 -0.0393 -0.0600 45 ASP e CB +40740 C CG . ASP W 45 ? 1.2483 0.8843 0.9753 -0.1135 -0.0372 -0.0592 45 ASP e CG +40741 O OD1 . ASP W 45 ? 1.2258 0.8589 0.9507 -0.1110 -0.0343 -0.0563 45 ASP e OD1 +40742 O OD2 . ASP W 45 ? 1.3146 0.9421 1.0349 -0.1145 -0.0384 -0.0616 45 ASP e OD2 +40743 N N . VAL W 46 ? 1.1018 0.7813 0.8569 -0.1086 -0.0437 -0.0587 46 VAL e N +40744 C CA . VAL W 46 ? 1.1343 0.8271 0.8995 -0.1098 -0.0457 -0.0593 46 VAL e CA +40745 C C . VAL W 46 ? 1.1610 0.8616 0.9321 -0.1072 -0.0437 -0.0561 46 VAL e C +40746 O O . VAL W 46 ? 0.9459 0.6542 0.7252 -0.1106 -0.0432 -0.0560 46 VAL e O +40747 C CB . VAL W 46 ? 1.0626 0.7590 0.8270 -0.1067 -0.0493 -0.0609 46 VAL e CB +40748 C CG1 . VAL W 46 ? 0.9803 0.6903 0.7549 -0.1074 -0.0513 -0.0613 46 VAL e CG1 +40749 C CG2 . VAL W 46 ? 1.0976 0.7865 0.8566 -0.1098 -0.0514 -0.0644 46 VAL e CG2 +40750 N N . PHE W 47 ? 1.0228 0.7213 0.7897 -0.1014 -0.0425 -0.0535 47 PHE e N +40751 C CA . PHE W 47 ? 1.0556 0.7623 0.8281 -0.0984 -0.0411 -0.0505 47 PHE e CA +40752 C C . PHE W 47 ? 1.0003 0.7031 0.7719 -0.0990 -0.0376 -0.0482 47 PHE e C +40753 O O . PHE W 47 ? 1.0409 0.7512 0.8187 -0.0984 -0.0363 -0.0462 47 PHE e O +40754 C CB . PHE W 47 ? 0.9690 0.6771 0.7384 -0.0917 -0.0419 -0.0490 47 PHE e CB +40755 C CG . PHE W 47 ? 0.9578 0.6713 0.7290 -0.0908 -0.0454 -0.0510 47 PHE e CG +40756 C CD1 . PHE W 47 ? 0.8969 0.6219 0.6770 -0.0919 -0.0471 -0.0513 47 PHE e CD1 +40757 C CD2 . PHE W 47 ? 0.9088 0.6157 0.6726 -0.0889 -0.0471 -0.0526 47 PHE e CD2 +40758 C CE1 . PHE W 47 ? 1.0022 0.7320 0.7837 -0.0909 -0.0504 -0.0532 47 PHE e CE1 +40759 C CE2 . PHE W 47 ? 0.8899 0.6014 0.6549 -0.0881 -0.0503 -0.0544 47 PHE e CE2 +40760 C CZ . PHE W 47 ? 0.8975 0.6204 0.6713 -0.0891 -0.0520 -0.0547 47 PHE e CZ +40761 N N . GLY W 48 ? 1.0477 0.7389 0.8118 -0.1005 -0.0359 -0.0484 48 GLY e N +40762 C CA . GLY W 48 ? 0.9847 0.6714 0.7473 -0.1012 -0.0325 -0.0462 48 GLY e CA +40763 C C . GLY W 48 ? 0.9776 0.6597 0.7344 -0.0952 -0.0309 -0.0434 48 GLY e C +40764 O O . GLY W 48 ? 1.0171 0.6989 0.7746 -0.0946 -0.0283 -0.0410 48 GLY e O +40765 N N . THR W 49 ? 0.9641 0.6430 0.7154 -0.0906 -0.0322 -0.0436 49 THR e N +40766 C CA . THR W 49 ? 1.0475 0.7232 0.7939 -0.0845 -0.0309 -0.0410 49 THR e CA +40767 C C . THR W 49 ? 1.1527 0.8149 0.8896 -0.0841 -0.0289 -0.0407 49 THR e C +40768 O O . THR W 49 ? 1.0993 0.7534 0.8306 -0.0864 -0.0297 -0.0429 49 THR e O +40769 C CB . THR W 49 ? 0.9584 0.6365 0.7030 -0.0798 -0.0331 -0.0416 49 THR e CB +40770 O OG1 . THR W 49 ? 1.0059 0.6962 0.7591 -0.0799 -0.0349 -0.0417 49 THR e OG1 +40771 C CG2 . THR W 49 ? 0.9323 0.6073 0.6720 -0.0734 -0.0317 -0.0391 49 THR e CG2 +40772 N N . PRO W 50 ? 1.2629 0.9222 0.9975 -0.0814 -0.0265 -0.0380 50 PRO e N +40773 C CA . PRO W 50 ? 0.9801 0.6263 0.7053 -0.0807 -0.0247 -0.0376 50 PRO e CA +40774 C C . PRO W 50 ? 1.1365 0.7757 0.8536 -0.0764 -0.0258 -0.0384 50 PRO e C +40775 O O . PRO W 50 ? 0.9732 0.6175 0.6913 -0.0716 -0.0269 -0.0378 50 PRO e O +40776 C CB . PRO W 50 ? 1.0034 0.6503 0.7289 -0.0775 -0.0223 -0.0343 50 PRO e CB +40777 C CG . PRO W 50 ? 1.0607 0.7209 0.7968 -0.0786 -0.0226 -0.0334 50 PRO e CG +40778 C CD . PRO W 50 ? 1.0379 0.7058 0.7785 -0.0788 -0.0254 -0.0353 50 PRO e CD +40779 N N A ARG W 51 ? 1.0058 0.6330 0.7149 -0.0782 -0.0254 -0.0399 51 ARG e N +40780 N N B ARG W 51 ? 1.0056 0.6328 0.7146 -0.0781 -0.0254 -0.0398 51 ARG e N +40781 C CA A ARG W 51 ? 0.9636 0.5820 0.6636 -0.0737 -0.0258 -0.0403 51 ARG e CA +40782 C CA B ARG W 51 ? 0.9620 0.5808 0.6621 -0.0735 -0.0258 -0.0402 51 ARG e CA +40783 C C A ARG W 51 ? 1.0003 0.6142 0.6958 -0.0687 -0.0236 -0.0374 51 ARG e C +40784 C C B ARG W 51 ? 0.9948 0.6097 0.6908 -0.0683 -0.0236 -0.0373 51 ARG e C +40785 O O A ARG W 51 ? 1.0162 0.6312 0.7141 -0.0697 -0.0217 -0.0355 51 ARG e O +40786 O O B ARG W 51 ? 1.0024 0.6194 0.7015 -0.0690 -0.0218 -0.0353 51 ARG e O +40787 C CB A ARG W 51 ? 1.0027 0.6096 0.6955 -0.0775 -0.0261 -0.0428 51 ARG e CB +40788 C CB B ARG W 51 ? 1.0019 0.6087 0.6944 -0.0770 -0.0261 -0.0426 51 ARG e CB +40789 C CG A ARG W 51 ? 1.0503 0.6615 0.7476 -0.0830 -0.0285 -0.0459 51 ARG e CG +40790 C CG B ARG W 51 ? 1.0423 0.6524 0.7383 -0.0820 -0.0285 -0.0458 51 ARG e CG +40791 C CD A ARG W 51 ? 1.0806 0.6808 0.7722 -0.0883 -0.0283 -0.0483 51 ARG e CD +40792 C CD B ARG W 51 ? 1.0668 0.6648 0.7557 -0.0863 -0.0284 -0.0481 51 ARG e CD +40793 N NE A ARG W 51 ? 1.0906 0.6943 0.7856 -0.0928 -0.0309 -0.0515 51 ARG e NE +40794 N NE B ARG W 51 ? 1.0899 0.6918 0.7828 -0.0914 -0.0308 -0.0512 51 ARG e NE +40795 C CZ A ARG W 51 ? 1.0472 0.6576 0.7500 -0.0987 -0.0314 -0.0527 51 ARG e CZ +40796 C CZ B ARG W 51 ? 1.1028 0.7022 0.7921 -0.0908 -0.0332 -0.0537 51 ARG e CZ +40797 N NH1 A ARG W 51 ? 0.9726 0.5867 0.6805 -0.1012 -0.0293 -0.0510 51 ARG e NH1 +40798 N NH1 B ARG W 51 ? 1.1678 0.7604 0.8491 -0.0855 -0.0334 -0.0535 51 ARG e NH1 +40799 N NH2 A ARG W 51 ? 0.9411 0.5547 0.6465 -0.1021 -0.0341 -0.0557 51 ARG e NH2 +40800 N NH2 B ARG W 51 ? 1.1716 0.7756 0.8655 -0.0956 -0.0355 -0.0564 51 ARG e NH2 +40801 N N . PRO W 52 ? 1.0356 0.6451 0.7248 -0.0627 -0.0238 -0.0370 52 PRO e N +40802 C CA . PRO W 52 ? 1.0405 0.6470 0.7262 -0.0574 -0.0219 -0.0343 52 PRO e CA +40803 C C . PRO W 52 ? 1.1978 0.7948 0.8786 -0.0592 -0.0196 -0.0331 52 PRO e C +40804 O O . PRO W 52 ? 1.1461 0.7425 0.8258 -0.0556 -0.0180 -0.0307 52 PRO e O +40805 C CB . PRO W 52 ? 0.9620 0.5628 0.6403 -0.0520 -0.0226 -0.0349 52 PRO e CB +40806 C CG . PRO W 52 ? 1.0576 0.6646 0.7393 -0.0531 -0.0250 -0.0370 52 PRO e CG +40807 C CD . PRO W 52 ? 0.9865 0.5949 0.6723 -0.0604 -0.0258 -0.0389 52 PRO e CD +40808 N N . ASP W 53 ? 1.1055 0.6950 0.7833 -0.0648 -0.0193 -0.0349 53 ASP e N +40809 C CA . ASP W 53 ? 1.0889 0.6689 0.7618 -0.0669 -0.0170 -0.0339 53 ASP e CA +40810 C C . ASP W 53 ? 1.1429 0.7282 0.8229 -0.0729 -0.0160 -0.0335 53 ASP e C +40811 O O . ASP W 53 ? 1.0778 0.6552 0.7540 -0.0759 -0.0141 -0.0330 53 ASP e O +40812 C CB . ASP W 53 ? 1.2443 0.8100 0.9072 -0.0687 -0.0170 -0.0358 53 ASP e CB +40813 C CG . ASP W 53 ? 1.1307 0.6970 0.7957 -0.0747 -0.0187 -0.0391 53 ASP e CG +40814 O OD1 . ASP W 53 ? 1.2748 0.8521 0.9490 -0.0780 -0.0198 -0.0398 53 ASP e OD1 +40815 O OD2 . ASP W 53 ? 1.4585 1.0137 1.1156 -0.0760 -0.0190 -0.0410 53 ASP e OD2 +40816 N N . SER W 54 ? 1.0849 0.6834 0.7749 -0.0745 -0.0172 -0.0337 54 SER e N +40817 C CA . SER W 54 ? 1.1781 0.7822 0.8753 -0.0804 -0.0165 -0.0338 54 SER e CA +40818 C C . SER W 54 ? 1.1526 0.7689 0.8584 -0.0787 -0.0160 -0.0316 54 SER e C +40819 O O . SER W 54 ? 1.0638 0.6876 0.7773 -0.0831 -0.0159 -0.0319 54 SER e O +40820 C CB . SER W 54 ? 1.0986 0.7068 0.8002 -0.0857 -0.0185 -0.0369 54 SER e CB +40821 O OG . SER W 54 ? 1.4857 1.0826 1.1793 -0.0874 -0.0189 -0.0390 54 SER e OG +40822 N N . TYR W 55 ? 1.0367 0.6550 0.7414 -0.0724 -0.0158 -0.0294 55 TYR e N +40823 C CA . TYR W 55 ? 1.0546 0.6829 0.7666 -0.0709 -0.0151 -0.0271 55 TYR e CA +40824 C C . TYR W 55 ? 1.1133 0.7368 0.8235 -0.0725 -0.0125 -0.0253 55 TYR e C +40825 O O . TYR W 55 ? 1.1000 0.7305 0.8169 -0.0753 -0.0116 -0.0245 55 TYR e O +40826 C CB . TYR W 55 ? 0.8969 0.5291 0.6085 -0.0637 -0.0157 -0.0255 55 TYR e CB +40827 C CG . TYR W 55 ? 1.0351 0.6754 0.7509 -0.0621 -0.0180 -0.0268 55 TYR e CG +40828 C CD1 . TYR W 55 ? 0.9598 0.6130 0.6853 -0.0628 -0.0189 -0.0265 55 TYR e CD1 +40829 C CD2 . TYR W 55 ? 1.0151 0.6501 0.7251 -0.0597 -0.0193 -0.0283 55 TYR e CD2 +40830 C CE1 . TYR W 55 ? 0.9621 0.6222 0.6909 -0.0613 -0.0211 -0.0276 55 TYR e CE1 +40831 C CE2 . TYR W 55 ? 1.0982 0.7402 0.8115 -0.0581 -0.0214 -0.0294 55 TYR e CE2 +40832 C CZ . TYR W 55 ? 0.9829 0.6374 0.7055 -0.0589 -0.0223 -0.0290 55 TYR e CZ +40833 O OH . TYR W 55 ? 0.9739 0.6349 0.6994 -0.0572 -0.0243 -0.0301 55 TYR e OH +40834 N N . TYR W 56 ? 1.1083 0.7195 0.8090 -0.0706 -0.0111 -0.0246 56 TYR e N +40835 C CA . TYR W 56 ? 1.1348 0.7399 0.8321 -0.0713 -0.0087 -0.0227 56 TYR e CA +40836 C C . TYR W 56 ? 1.3373 0.9286 1.0262 -0.0750 -0.0074 -0.0238 56 TYR e C +40837 O O . TYR W 56 ? 1.1022 0.6858 0.7847 -0.0742 -0.0084 -0.0254 56 TYR e O +40838 C CB . TYR W 56 ? 1.0095 0.6119 0.7023 -0.0645 -0.0080 -0.0202 56 TYR e CB +40839 C CG . TYR W 56 ? 1.1486 0.7631 0.8486 -0.0604 -0.0087 -0.0186 56 TYR e CG +40840 C CD1 . TYR W 56 ? 1.1527 0.7742 0.8587 -0.0616 -0.0076 -0.0168 56 TYR e CD1 +40841 C CD2 . TYR W 56 ? 1.0112 0.6295 0.7112 -0.0550 -0.0103 -0.0186 56 TYR e CD2 +40842 C CE1 . TYR W 56 ? 1.2852 0.9172 0.9974 -0.0577 -0.0082 -0.0153 56 TYR e CE1 +40843 C CE2 . TYR W 56 ? 0.9936 0.6224 0.6998 -0.0512 -0.0108 -0.0171 56 TYR e CE2 +40844 C CZ . TYR W 56 ? 1.0607 0.6963 0.7730 -0.0526 -0.0098 -0.0154 56 TYR e CZ +40845 O OH . TYR W 56 ? 1.1421 0.7878 0.8604 -0.0490 -0.0104 -0.0140 56 TYR e OH +40846 N N . ALA W 57 ? 1.2913 0.8790 0.9797 -0.0790 -0.0052 -0.0229 57 ALA e N +40847 C CA . ALA W 57 ? 1.2429 0.8159 0.9216 -0.0809 -0.0035 -0.0231 57 ALA e CA +40848 C C . ALA W 57 ? 1.2853 0.8498 0.9551 -0.0741 -0.0031 -0.0213 57 ALA e C +40849 O O . ALA W 57 ? 1.3018 0.8725 0.9738 -0.0685 -0.0038 -0.0197 57 ALA e O +40850 C CB . ALA W 57 ? 1.1102 0.6816 0.7903 -0.0862 -0.0010 -0.0222 57 ALA e CB +40851 N N . GLN W 58 ? 1.2194 0.7694 0.8790 -0.0747 -0.0020 -0.0216 58 GLN e N +40852 C CA . GLN W 58 ? 1.5021 1.0434 1.1526 -0.0681 -0.0022 -0.0207 58 GLN e CA +40853 C C . GLN W 58 ? 1.3278 0.8709 0.9778 -0.0628 -0.0012 -0.0177 58 GLN e C +40854 O O . GLN W 58 ? 1.2457 0.7902 0.8941 -0.0562 -0.0023 -0.0169 58 GLN e O +40855 C CB . GLN W 58 ? 1.2772 0.8020 0.9166 -0.0700 -0.0010 -0.0216 58 GLN e CB +40856 C CG . GLN W 58 ? 1.1581 0.6733 0.7878 -0.0630 -0.0011 -0.0206 58 GLN e CG +40857 C CD . GLN W 58 ? 1.1861 0.7050 0.8162 -0.0586 -0.0035 -0.0220 58 GLN e CD +40858 O OE1 . GLN W 58 ? 1.2950 0.8203 0.9304 -0.0615 -0.0050 -0.0242 58 GLN e OE1 +40859 N NE2 . GLN W 58 ? 1.3050 0.8201 0.9295 -0.0514 -0.0037 -0.0209 58 GLN e NE2 +40860 N N . GLU W 59 ? 1.1946 0.7375 0.8459 -0.0654 0.0007 -0.0161 59 GLU e N +40861 C CA . GLU W 59 ? 1.4442 0.9869 1.0937 -0.0606 0.0017 -0.0132 59 GLU e CA +40862 C C . GLU W 59 ? 1.5698 1.1268 1.2297 -0.0605 0.0016 -0.0118 59 GLU e C +40863 O O . GLU W 59 ? 1.6927 1.2517 1.3522 -0.0556 0.0018 -0.0096 59 GLU e O +40864 C CB . GLU W 59 ? 1.5335 1.0633 1.1745 -0.0626 0.0042 -0.0120 59 GLU e CB +40865 C CG . GLU W 59 ? 1.5521 1.0661 1.1817 -0.0626 0.0046 -0.0131 59 GLU e CG +40866 C CD . GLU W 59 ? 1.9015 1.4108 1.5245 -0.0548 0.0034 -0.0126 59 GLU e CD +40867 O OE1 . GLU W 59 ? 1.9463 1.4620 1.5719 -0.0492 0.0028 -0.0108 59 GLU e OE1 +40868 O OE2 . GLU W 59 ? 1.9935 1.4928 1.6090 -0.0543 0.0029 -0.0141 59 GLU e OE2 +40869 N N . GLN W 60 ? 1.5150 1.0817 1.1839 -0.0655 0.0012 -0.0131 60 GLN e N +40870 C CA . GLN W 60 ? 1.6467 1.2268 1.3255 -0.0657 0.0010 -0.0120 60 GLN e CA +40871 C C . GLN W 60 ? 1.4639 1.0543 1.1479 -0.0602 -0.0011 -0.0117 60 GLN e C +40872 O O . GLN W 60 ? 1.5178 1.1073 1.1999 -0.0578 -0.0028 -0.0131 60 GLN e O +40873 C CB . GLN W 60 ? 1.5051 1.0922 1.1919 -0.0727 0.0012 -0.0136 60 GLN e CB +40874 C CG . GLN W 60 ? 1.5989 1.1914 1.2898 -0.0739 -0.0011 -0.0162 60 GLN e CG +40875 C CD . GLN W 60 ? 1.5718 1.1754 1.2730 -0.0792 -0.0015 -0.0174 60 GLN e CD +40876 O OE1 . GLN W 60 ? 1.5961 1.2034 1.3006 -0.0816 -0.0032 -0.0197 60 GLN e OE1 +40877 N NE2 . GLN W 60 ? 1.8318 1.4410 1.5381 -0.0811 -0.0001 -0.0160 60 GLN e NE2 +40878 N N . ARG W 61 ? 1.4874 1.0877 1.1780 -0.0583 -0.0011 -0.0100 61 ARG e N +40879 C CA . ARG W 61 ? 1.4346 1.0466 1.1320 -0.0544 -0.0030 -0.0099 61 ARG e CA +40880 C C . ARG W 61 ? 1.2905 0.9156 0.9987 -0.0574 -0.0031 -0.0097 61 ARG e C +40881 O O . ARG W 61 ? 1.4829 1.1180 1.1970 -0.0541 -0.0044 -0.0091 61 ARG e O +40882 C CB . ARG W 61 ? 1.6766 1.2880 1.3709 -0.0473 -0.0031 -0.0078 61 ARG e CB +40883 C CG . ARG W 61 ? 1.5487 1.1541 1.2364 -0.0424 -0.0042 -0.0085 61 ARG e CG +40884 C CD . ARG W 61 ? 1.8357 1.4395 1.5198 -0.0355 -0.0041 -0.0064 61 ARG e CD +40885 N NE . ARG W 61 ? 1.8531 1.4438 1.5266 -0.0325 -0.0038 -0.0065 61 ARG e NE +40886 C CZ . ARG W 61 ? 1.7057 1.2849 1.3714 -0.0338 -0.0022 -0.0058 61 ARG e CZ +40887 N NH1 . ARG W 61 ? 1.7970 1.3760 1.4643 -0.0379 -0.0007 -0.0049 61 ARG e NH1 +40888 N NH2 . ARG W 61 ? 1.6508 1.2181 1.3067 -0.0307 -0.0020 -0.0060 61 ARG e NH2 +40889 N N . SER W 62 ? 1.2950 0.9200 1.0058 -0.0635 -0.0018 -0.0103 62 SER e N +40890 C CA . SER W 62 ? 1.1260 0.7631 0.8470 -0.0669 -0.0020 -0.0105 62 SER e CA +40891 C C . SER W 62 ? 1.4290 1.0727 1.1555 -0.0690 -0.0041 -0.0129 62 SER e C +40892 O O . SER W 62 ? 1.4264 1.0636 1.1487 -0.0710 -0.0046 -0.0148 62 SER e O +40893 C CB . SER W 62 ? 1.3257 0.9597 1.0470 -0.0727 0.0003 -0.0103 62 SER e CB +40894 O OG . SER W 62 ? 1.3878 1.0332 1.1188 -0.0758 0.0003 -0.0104 62 SER e OG +40895 N N . ILE W 63 ? 1.1496 0.8059 0.8850 -0.0685 -0.0053 -0.0128 63 ILE e N +40896 C CA . ILE W 63 ? 1.0429 0.7064 0.7841 -0.0705 -0.0073 -0.0150 63 ILE e CA +40897 C C . ILE W 63 ? 1.0462 0.7126 0.7926 -0.0774 -0.0067 -0.0164 63 ILE e C +40898 O O . ILE W 63 ? 1.0360 0.7064 0.7865 -0.0794 -0.0052 -0.0152 63 ILE e O +40899 C CB . ILE W 63 ? 1.1716 0.8473 0.9201 -0.0669 -0.0089 -0.0143 63 ILE e CB +40900 C CG1 . ILE W 63 ? 1.1698 0.8437 0.9141 -0.0602 -0.0091 -0.0126 63 ILE e CG1 +40901 C CG2 . ILE W 63 ? 1.2014 0.8828 0.9539 -0.0680 -0.0112 -0.0166 63 ILE e CG2 +40902 C CD1 . ILE W 63 ? 1.2304 0.8956 0.9669 -0.0575 -0.0098 -0.0135 63 ILE e CD1 +40903 N N . PRO W 64 ? 1.0299 0.6947 0.7763 -0.0812 -0.0077 -0.0189 64 PRO e N +40904 C CA . PRO W 64 ? 0.9991 0.6673 0.7510 -0.0878 -0.0071 -0.0204 64 PRO e CA +40905 C C . PRO W 64 ? 1.1223 0.8046 0.8850 -0.0887 -0.0084 -0.0207 64 PRO e C +40906 O O . PRO W 64 ? 0.9990 0.6866 0.7662 -0.0910 -0.0102 -0.0229 64 PRO e O +40907 C CB . PRO W 64 ? 1.0760 0.7382 0.8243 -0.0907 -0.0084 -0.0232 64 PRO e CB +40908 C CG . PRO W 64 ? 1.0138 0.6758 0.7591 -0.0853 -0.0105 -0.0234 64 PRO e CG +40909 C CD . PRO W 64 ? 1.0870 0.7466 0.8283 -0.0795 -0.0095 -0.0206 64 PRO e CD +40910 N N . LEU W 65 ? 1.0237 0.7121 0.7904 -0.0868 -0.0074 -0.0186 65 LEU e N +40911 C CA . LEU W 65 ? 0.9705 0.6721 0.7469 -0.0865 -0.0087 -0.0186 65 LEU e CA +40912 C C . LEU W 65 ? 0.8680 0.5750 0.6512 -0.0926 -0.0079 -0.0198 65 LEU e C +40913 O O . LEU W 65 ? 0.9714 0.6746 0.7535 -0.0956 -0.0054 -0.0191 65 LEU e O +40914 C CB . LEU W 65 ? 0.9462 0.6520 0.7240 -0.0819 -0.0080 -0.0159 65 LEU e CB +40915 C CG . LEU W 65 ? 1.1073 0.8258 0.8936 -0.0801 -0.0096 -0.0157 65 LEU e CG +40916 C CD1 . LEU W 65 ? 0.9634 0.6830 0.7479 -0.0752 -0.0117 -0.0158 65 LEU e CD1 +40917 C CD2 . LEU W 65 ? 1.0942 0.8167 0.8831 -0.0784 -0.0081 -0.0133 65 LEU e CD2 +40918 N N . VAL W 66 ? 0.9287 0.6445 0.7190 -0.0943 -0.0099 -0.0216 66 VAL e N +40919 C CA . VAL W 66 ? 0.9679 0.6901 0.7656 -0.0998 -0.0093 -0.0228 66 VAL e CA +40920 C C . VAL W 66 ? 1.0807 0.8100 0.8838 -0.0989 -0.0078 -0.0208 66 VAL e C +40921 O O . VAL W 66 ? 0.9350 0.6705 0.7407 -0.0945 -0.0088 -0.0194 66 VAL e O +40922 C CB . VAL W 66 ? 1.0047 0.7347 0.8085 -0.1013 -0.0122 -0.0253 66 VAL e CB +40923 C CG1 . VAL W 66 ? 0.9784 0.7187 0.7919 -0.1050 -0.0120 -0.0261 66 VAL e CG1 +40924 C CG2 . VAL W 66 ? 1.0780 0.8004 0.8772 -0.1045 -0.0129 -0.0278 66 VAL e CG2 +40925 N N . THR W 67 ? 0.9967 0.7245 0.8009 -0.1030 -0.0053 -0.0205 67 THR e N +40926 C CA . THR W 67 ? 0.9477 0.6813 0.7563 -0.1025 -0.0036 -0.0186 67 THR e CA +40927 C C . THR W 67 ? 0.9314 0.6726 0.7483 -0.1076 -0.0028 -0.0198 67 THR e C +40928 O O . THR W 67 ? 0.9436 0.6897 0.7643 -0.1075 -0.0013 -0.0184 67 THR e O +40929 C CB . THR W 67 ? 0.9828 0.7071 0.7841 -0.1015 -0.0008 -0.0163 67 THR e CB +40930 O OG1 . THR W 67 ? 1.0229 0.7395 0.8208 -0.1068 0.0012 -0.0173 67 THR e OG1 +40931 C CG2 . THR W 67 ? 0.9048 0.6217 0.6981 -0.0961 -0.0016 -0.0151 67 THR e CG2 +40932 N N . ASP W 68 ? 1.0604 0.8031 0.8803 -0.1120 -0.0037 -0.0224 68 ASP e N +40933 C CA . ASP W 68 ? 1.0439 0.7946 0.8722 -0.1168 -0.0030 -0.0238 68 ASP e CA +40934 C C . ASP W 68 ? 0.9920 0.7513 0.8269 -0.1175 -0.0062 -0.0262 68 ASP e C +40935 O O . ASP W 68 ? 1.1046 0.8604 0.9364 -0.1172 -0.0083 -0.0277 68 ASP e O +40936 C CB . ASP W 68 ? 1.2997 1.0434 1.1256 -0.1228 -0.0004 -0.0248 68 ASP e CB +40937 C CG . ASP W 68 ? 1.2330 0.9850 1.0676 -0.1277 0.0009 -0.0259 68 ASP e CG +40938 O OD1 . ASP W 68 ? 1.3158 1.0760 1.1576 -0.1297 -0.0012 -0.0282 68 ASP e OD1 +40939 O OD2 . ASP W 68 ? 1.6512 1.4016 1.4855 -0.1293 0.0040 -0.0245 68 ASP e OD2 +40940 N N . ARG W 69 ? 1.0036 0.7741 0.8475 -0.1182 -0.0067 -0.0265 69 ARG e N +40941 C CA . ARG W 69 ? 1.0298 0.8091 0.8802 -0.1184 -0.0099 -0.0286 69 ARG e CA +40942 C C . ARG W 69 ? 0.9236 0.7020 0.7759 -0.1242 -0.0104 -0.0317 69 ARG e C +40943 O O . ARG W 69 ? 0.9141 0.6911 0.7649 -0.1241 -0.0130 -0.0336 69 ARG e O +40944 C CB . ARG W 69 ? 0.9019 0.6932 0.7613 -0.1175 -0.0103 -0.0281 69 ARG e CB +40945 C CG . ARG W 69 ? 0.9427 0.7431 0.8091 -0.1181 -0.0135 -0.0305 69 ARG e CG +40946 C CD . ARG W 69 ? 0.8969 0.7084 0.7709 -0.1158 -0.0144 -0.0298 69 ARG e CD +40947 N NE . ARG W 69 ? 0.8712 0.6911 0.7518 -0.1166 -0.0175 -0.0321 69 ARG e NE +40948 C CZ . ARG W 69 ? 0.9343 0.7647 0.8225 -0.1153 -0.0186 -0.0321 69 ARG e CZ +40949 N NH1 . ARG W 69 ? 0.9012 0.7349 0.7914 -0.1131 -0.0169 -0.0299 69 ARG e NH1 +40950 N NH2 . ARG W 69 ? 0.8691 0.7064 0.7628 -0.1163 -0.0215 -0.0345 69 ARG e NH2 +40951 N N . PHE W 70 ? 0.8740 0.6531 0.7296 -0.1292 -0.0079 -0.0323 70 PHE e N +40952 C CA . PHE W 70 ? 1.0539 0.8342 0.9130 -0.1349 -0.0084 -0.0353 70 PHE e CA +40953 C C . PHE W 70 ? 1.0466 0.8147 0.8979 -0.1382 -0.0069 -0.0361 70 PHE e C +40954 O O . PHE W 70 ? 1.1187 0.8865 0.9717 -0.1428 -0.0077 -0.0388 70 PHE e O +40955 C CB . PHE W 70 ? 0.8829 0.6716 0.7508 -0.1390 -0.0065 -0.0359 70 PHE e CB +40956 C CG . PHE W 70 ? 0.9912 0.7917 0.8669 -0.1359 -0.0080 -0.0354 70 PHE e CG +40957 C CD1 . PHE W 70 ? 1.0718 0.8807 0.9533 -0.1352 -0.0116 -0.0374 70 PHE e CD1 +40958 C CD2 . PHE W 70 ? 1.1154 0.9183 0.9921 -0.1335 -0.0059 -0.0328 70 PHE e CD2 +40959 C CE1 . PHE W 70 ? 1.0206 0.8401 0.9090 -0.1323 -0.0130 -0.0368 70 PHE e CE1 +40960 C CE2 . PHE W 70 ? 1.0393 0.8528 0.9229 -0.1306 -0.0073 -0.0323 70 PHE e CE2 +40961 C CZ . PHE W 70 ? 0.9990 0.8207 0.8884 -0.1300 -0.0108 -0.0343 70 PHE e CZ +40962 N N . GLU W 71 ? 0.9793 0.7372 0.8217 -0.1358 -0.0050 -0.0338 71 GLU e N +40963 C CA . GLU W 71 ? 1.1577 0.9028 0.9913 -0.1380 -0.0037 -0.0342 71 GLU e CA +40964 C C . GLU W 71 ? 1.2147 0.9526 1.0403 -0.1333 -0.0058 -0.0338 71 GLU e C +40965 O O . GLU W 71 ? 1.1714 0.8976 0.9883 -0.1338 -0.0047 -0.0336 71 GLU e O +40966 C CB . GLU W 71 ? 1.2782 1.0158 1.1069 -0.1391 0.0004 -0.0319 71 GLU e CB +40967 C CG . GLU W 71 ? 1.7123 1.4424 1.5383 -0.1454 0.0029 -0.0333 71 GLU e CG +40968 C CD . GLU W 71 ? 1.8718 1.6098 1.7065 -0.1507 0.0048 -0.0343 71 GLU e CD +40969 O OE1 . GLU W 71 ? 1.6725 1.4225 1.5159 -0.1495 0.0037 -0.0344 71 GLU e OE1 +40970 O OE2 . GLU W 71 ? 2.2395 1.9716 2.0723 -0.1561 0.0076 -0.0350 71 GLU e OE2 +40971 N N . ALA W 72 ? 1.0833 0.8281 0.9117 -0.1287 -0.0087 -0.0336 72 ALA e N +40972 C CA . ALA W 72 ? 1.1601 0.8990 0.9813 -0.1238 -0.0106 -0.0331 72 ALA e CA +40973 C C . ALA W 72 ? 1.0873 0.8193 0.9040 -0.1263 -0.0121 -0.0356 72 ALA e C +40974 O O . ALA W 72 ? 1.1457 0.8679 0.9536 -0.1238 -0.0122 -0.0351 72 ALA e O +40975 C CB . ALA W 72 ? 1.1967 0.9452 1.0226 -0.1190 -0.0133 -0.0326 72 ALA e CB +40976 N N . LYS W 73 ? 0.9806 0.7177 0.8032 -0.1310 -0.0134 -0.0385 73 LYS e N +40977 C CA . LYS W 73 ? 1.0083 0.7390 0.8269 -0.1338 -0.0149 -0.0412 73 LYS e CA +40978 C C . LYS W 73 ? 1.0423 0.7600 0.8527 -0.1368 -0.0120 -0.0409 73 LYS e C +40979 O O . LYS W 73 ? 1.0195 0.7271 0.8213 -0.1355 -0.0126 -0.0412 73 LYS e O +40980 C CB . LYS W 73 ? 1.0550 0.7943 0.8822 -0.1388 -0.0167 -0.0443 73 LYS e CB +40981 C CG . LYS W 73 ? 1.1682 0.9040 0.9928 -0.1406 -0.0196 -0.0474 73 LYS e CG +40982 C CD . LYS W 73 ? 1.0946 0.8385 0.9280 -0.1464 -0.0208 -0.0505 73 LYS e CD +40983 C CE . LYS W 73 ? 1.2770 1.0167 1.1075 -0.1488 -0.0236 -0.0538 73 LYS e CE +40984 N NZ . LYS W 73 ? 1.3832 1.1082 1.2032 -0.1501 -0.0220 -0.0538 73 LYS e NZ +40985 N N . GLN W 74 ? 1.1103 0.8278 0.9229 -0.1406 -0.0088 -0.0401 74 GLN e N +40986 C CA . GLN W 74 ? 1.0115 0.7167 0.8165 -0.1437 -0.0057 -0.0396 74 GLN e CA +40987 C C . GLN W 74 ? 1.2282 0.9239 1.0237 -0.1383 -0.0044 -0.0366 74 GLN e C +40988 O O . GLN W 74 ? 1.1943 0.8776 0.9808 -0.1391 -0.0030 -0.0365 74 GLN e O +40989 C CB . GLN W 74 ? 1.0725 0.7808 0.8827 -0.1488 -0.0026 -0.0394 74 GLN e CB +40990 C CG . GLN W 74 ? 1.3798 1.0759 1.1827 -0.1525 0.0010 -0.0388 74 GLN e CG +40991 C CD . GLN W 74 ? 1.8892 1.5895 1.6984 -0.1587 0.0039 -0.0393 74 GLN e CD +40992 O OE1 . GLN W 74 ? 1.7020 1.4136 1.5212 -0.1615 0.0028 -0.0412 74 GLN e OE1 +40993 N NE2 . GLN W 74 ? 1.9661 1.6573 1.7695 -0.1606 0.0078 -0.0377 74 GLN e NE2 +40994 N N . GLN W 75 ? 1.0685 0.7697 0.8657 -0.1328 -0.0048 -0.0343 75 GLN e N +40995 C CA . GLN W 75 ? 0.9542 0.6472 0.7428 -0.1274 -0.0039 -0.0316 75 GLN e CA +40996 C C . GLN W 75 ? 1.0561 0.7423 0.8376 -0.1240 -0.0061 -0.0324 75 GLN e C +40997 O O . GLN W 75 ? 1.0393 0.7139 0.8113 -0.1221 -0.0050 -0.0313 75 GLN e O +40998 C CB . GLN W 75 ? 0.9613 0.6628 0.7541 -0.1224 -0.0040 -0.0291 75 GLN e CB +40999 C CG . GLN W 75 ? 0.9633 0.6663 0.7583 -0.1239 -0.0009 -0.0272 75 GLN e CG +41000 C CD . GLN W 75 ? 1.0772 0.7869 0.8748 -0.1184 -0.0011 -0.0246 75 GLN e CD +41001 O OE1 . GLN W 75 ? 1.0444 0.7587 0.8432 -0.1138 -0.0036 -0.0245 75 GLN e OE1 +41002 N NE2 . GLN W 75 ? 1.0648 0.7748 0.8631 -0.1188 0.0016 -0.0227 75 GLN e NE2 +41003 N N . VAL W 76 ? 0.9951 0.6881 0.7806 -0.1228 -0.0094 -0.0342 76 VAL e N +41004 C CA . VAL W 76 ? 1.0763 0.7629 0.8549 -0.1194 -0.0115 -0.0350 76 VAL e CA +41005 C C . VAL W 76 ? 1.0864 0.7616 0.8583 -0.1236 -0.0110 -0.0369 76 VAL e C +41006 O O . VAL W 76 ? 1.1342 0.7987 0.8967 -0.1210 -0.0108 -0.0365 76 VAL e O +41007 C CB . VAL W 76 ? 0.9834 0.6795 0.7676 -0.1176 -0.0151 -0.0366 76 VAL e CB +41008 C CG1 . VAL W 76 ? 1.0391 0.7283 0.8158 -0.1141 -0.0171 -0.0374 76 VAL e CG1 +41009 C CG2 . VAL W 76 ? 0.9528 0.6596 0.7433 -0.1135 -0.0156 -0.0347 76 VAL e CG2 +41010 N N . GLU W 77 ? 1.0946 0.7720 0.8711 -0.1301 -0.0107 -0.0391 77 GLU e N +41011 C CA . GLU W 77 ? 1.2651 0.9316 1.0356 -0.1348 -0.0099 -0.0411 77 GLU e CA +41012 C C . GLU W 77 ? 1.1428 0.7971 0.9045 -0.1346 -0.0065 -0.0389 77 GLU e C +41013 O O . GLU W 77 ? 1.2026 0.8449 0.9552 -0.1345 -0.0062 -0.0394 77 GLU e O +41014 C CB . GLU W 77 ? 1.1189 0.7912 0.8971 -0.1420 -0.0099 -0.0437 77 GLU e CB +41015 C CG . GLU W 77 ? 1.2107 0.8905 0.9942 -0.1428 -0.0137 -0.0467 77 GLU e CG +41016 C CD . GLU W 77 ? 1.4213 1.1144 1.2167 -0.1468 -0.0143 -0.0481 77 GLU e CD +41017 O OE1 . GLU W 77 ? 1.4454 1.1400 1.2444 -0.1507 -0.0115 -0.0475 77 GLU e OE1 +41018 O OE2 . GLU W 77 ? 1.2978 0.9996 1.0988 -0.1459 -0.0177 -0.0499 77 GLU e OE2 +41019 N N . THR W 78 ? 1.2169 0.8738 0.9810 -0.1342 -0.0039 -0.0365 78 THR e N +41020 C CA . THR W 78 ? 1.1426 0.7880 0.8982 -0.1337 -0.0007 -0.0343 78 THR e CA +41021 C C . THR W 78 ? 1.1985 0.8357 0.9449 -0.1271 -0.0015 -0.0327 78 THR e C +41022 O O . THR W 78 ? 1.4004 1.0246 1.1372 -0.1272 -0.0001 -0.0324 78 THR e O +41023 C CB . THR W 78 ? 1.0549 0.7060 0.8151 -0.1337 0.0017 -0.0319 78 THR e CB +41024 O OG1 . THR W 78 ? 1.3156 0.9728 1.0835 -0.1403 0.0029 -0.0335 78 THR e OG1 +41025 C CG2 . THR W 78 ? 1.2378 0.8770 0.9887 -0.1323 0.0048 -0.0294 78 THR e CG2 +41026 N N A PHE W 79 ? 1.2549 0.8995 1.0040 -0.1213 -0.0035 -0.0317 79 PHE e N +41027 N N B PHE W 79 ? 1.2550 0.8995 1.0040 -0.1212 -0.0035 -0.0316 79 PHE e N +41028 C CA A PHE W 79 ? 1.2582 0.8965 0.9996 -0.1147 -0.0043 -0.0302 79 PHE e CA +41029 C CA B PHE W 79 ? 1.2593 0.8966 1.0000 -0.1148 -0.0042 -0.0302 79 PHE e CA +41030 C C A PHE W 79 ? 1.2357 0.8659 0.9706 -0.1147 -0.0061 -0.0324 79 PHE e C +41031 C C B PHE W 79 ? 1.2393 0.8686 0.9737 -0.1152 -0.0059 -0.0325 79 PHE e C +41032 O O A PHE W 79 ? 1.3111 0.9307 1.0365 -0.1112 -0.0056 -0.0315 79 PHE e O +41033 O O B PHE W 79 ? 1.3314 0.9490 1.0560 -0.1125 -0.0052 -0.0318 79 PHE e O +41034 C CB A PHE W 79 ? 1.2723 0.9216 1.0192 -0.1091 -0.0061 -0.0289 79 PHE e CB +41035 C CB B PHE W 79 ? 1.2795 0.9266 1.0246 -0.1087 -0.0061 -0.0289 79 PHE e CB +41036 C CG A PHE W 79 ? 1.2351 0.8926 0.9883 -0.1087 -0.0046 -0.0267 79 PHE e CG +41037 C CG B PHE W 79 ? 1.2003 0.8411 0.9377 -0.1025 -0.0073 -0.0282 79 PHE e CG +41038 C CD1 A PHE W 79 ? 1.1887 0.8404 0.9386 -0.1100 -0.0015 -0.0249 79 PHE e CD1 +41039 C CD1 B PHE W 79 ? 1.1770 0.8205 0.9148 -0.1003 -0.0101 -0.0298 79 PHE e CD1 +41040 C CD2 A PHE W 79 ? 1.2665 0.9372 1.0286 -0.1068 -0.0063 -0.0266 79 PHE e CD2 +41041 C CD2 B PHE W 79 ? 1.0735 0.7053 0.8030 -0.0988 -0.0055 -0.0259 79 PHE e CD2 +41042 C CE1 A PHE W 79 ? 1.0873 0.7464 0.8427 -0.1096 -0.0001 -0.0230 79 PHE e CE1 +41043 C CE1 B PHE W 79 ? 1.0789 0.7167 0.8097 -0.0946 -0.0110 -0.0292 79 PHE e CE1 +41044 C CE2 A PHE W 79 ? 1.0907 0.7688 0.8585 -0.1064 -0.0049 -0.0246 79 PHE e CE2 +41045 C CE2 B PHE W 79 ? 1.0244 0.6508 0.7471 -0.0930 -0.0065 -0.0253 79 PHE e CE2 +41046 C CZ A PHE W 79 ? 1.1265 0.7988 0.8909 -0.1077 -0.0018 -0.0229 79 PHE e CZ +41047 C CZ B PHE W 79 ? 0.9359 0.5654 0.6594 -0.0909 -0.0092 -0.0269 79 PHE e CZ +41048 N N . LEU W 80 ? 1.1923 0.8276 0.9320 -0.1181 -0.0082 -0.0353 80 LEU e N +41049 C CA . LEU W 80 ? 1.2761 0.9039 1.0098 -0.1184 -0.0100 -0.0376 80 LEU e CA +41050 C C . LEU W 80 ? 1.2284 0.8425 0.9542 -0.1227 -0.0079 -0.0383 80 LEU e C +41051 O O . LEU W 80 ? 1.3653 0.9683 1.0817 -0.1207 -0.0082 -0.0387 80 LEU e O +41052 C CB . LEU W 80 ? 1.0710 0.7080 0.8122 -0.1213 -0.0130 -0.0405 80 LEU e CB +41053 C CG . LEU W 80 ? 1.3123 0.9608 1.0592 -0.1163 -0.0155 -0.0399 80 LEU e CG +41054 C CD1 . LEU W 80 ? 1.1413 0.7999 0.8965 -0.1194 -0.0183 -0.0427 80 LEU e CD1 +41055 C CD2 . LEU W 80 ? 1.2123 0.8551 0.9516 -0.1097 -0.0166 -0.0392 80 LEU e CD2 +41056 N N . GLU W 81 ? 1.3068 0.9212 1.0358 -0.1285 -0.0056 -0.0384 81 GLU e N +41057 C CA . GLU W 81 ? 1.3732 0.9743 1.0945 -0.1326 -0.0030 -0.0386 81 GLU e CA +41058 C C . GLU W 81 ? 1.3943 0.9843 1.1054 -0.1276 -0.0012 -0.0359 81 GLU e C +41059 O O . GLU W 81 ? 1.5172 1.0939 1.2187 -0.1281 -0.0004 -0.0363 81 GLU e O +41060 C CB . GLU W 81 ? 1.4691 1.0737 1.1962 -0.1390 -0.0004 -0.0386 81 GLU e CB +41061 C CG . GLU W 81 ? 1.4588 1.0713 1.1944 -0.1454 -0.0016 -0.0418 81 GLU e CG +41062 C CD . GLU W 81 ? 2.1293 1.7321 1.8595 -0.1498 -0.0022 -0.0446 81 GLU e CD +41063 O OE1 . GLU W 81 ? 2.0888 1.6776 1.8081 -0.1486 -0.0010 -0.0440 81 GLU e OE1 +41064 O OE2 . GLU W 81 ? 2.4740 2.0830 2.2106 -0.1545 -0.0039 -0.0476 81 GLU e OE2 +41065 N N . GLN W 82 ? 1.5410 1.1361 1.2539 -0.1227 -0.0005 -0.0330 82 GLN e N +41066 C CA . GLN W 82 ? 1.6373 1.2227 1.3412 -0.1179 0.0012 -0.0303 82 GLN e CA +41067 C C . GLN W 82 ? 1.5414 1.1193 1.2371 -0.1123 -0.0006 -0.0305 82 GLN e C +41068 O O . GLN W 82 ? 1.9114 1.4812 1.5994 -0.1078 0.0006 -0.0284 82 GLN e O +41069 C CB . GLN W 82 ? 1.5476 1.1415 1.2563 -0.1139 0.0019 -0.0275 82 GLN e CB +41070 C CG . GLN W 82 ? 1.8399 1.4357 1.5522 -0.1184 0.0048 -0.0263 82 GLN e CG +41071 C CD . GLN W 82 ? 2.0477 1.6530 1.7656 -0.1146 0.0053 -0.0238 82 GLN e CD +41072 O OE1 . GLN W 82 ? 1.9099 1.5218 1.6301 -0.1091 0.0032 -0.0230 82 GLN e OE1 +41073 N NE2 . GLN W 82 ? 2.0341 1.6401 1.7539 -0.1177 0.0080 -0.0224 82 GLN e NE2 +41074 N N . LEU W 83 ? 1.5662 1.1467 1.2633 -0.1123 -0.0033 -0.0329 83 LEU e N +41075 C CA . LEU W 83 ? 1.7998 1.3724 1.4886 -0.1074 -0.0048 -0.0334 83 LEU e CA +41076 C C . LEU W 83 ? 1.9639 1.5219 1.6434 -0.1108 -0.0040 -0.0350 83 LEU e C +41077 O O . LEU W 83 ? 1.9350 1.4858 1.6075 -0.1076 -0.0054 -0.0360 83 LEU e O +41078 C CB . LEU W 83 ? 1.7327 1.3148 1.4269 -0.1053 -0.0082 -0.0351 83 LEU e CB +41079 C CG . LEU W 83 ? 1.4946 1.0903 1.1968 -0.1009 -0.0092 -0.0334 83 LEU e CG +41080 C CD1 . LEU W 83 ? 1.3257 0.9310 1.0340 -0.1007 -0.0124 -0.0356 83 LEU e CD1 +41081 C CD2 . LEU W 83 ? 1.3676 0.9601 1.0644 -0.0934 -0.0088 -0.0309 83 LEU e CD2 +41082 N N . LYS W 84 ? 2.3613 1.9144 2.0403 -0.1171 -0.0018 -0.0354 84 LYS e N +41083 C CA . LYS W 84 ? 2.0941 1.6323 1.7638 -0.1208 -0.0003 -0.0366 84 LYS e CA +41084 C C . LYS W 84 ? 2.3567 1.8899 2.0222 -0.1211 -0.0028 -0.0395 84 LYS e C +41085 O O . LYS W 84 ? 2.3296 1.8721 2.0021 -0.1224 -0.0053 -0.0416 84 LYS e O +41086 C CB . LYS W 84 ? 2.0904 1.6163 1.7497 -0.1168 0.0019 -0.0339 84 LYS e CB +41087 C CG . LYS W 84 ? 2.2003 1.7238 1.8597 -0.1200 0.0053 -0.0319 84 LYS e CG +41088 C CD . LYS W 84 ? 2.0166 1.5542 1.6858 -0.1185 0.0055 -0.0300 84 LYS e CD +41089 C CE . LYS W 84 ? 2.1765 1.7117 1.8457 -0.1219 0.0090 -0.0281 84 LYS e CE +41090 N NZ . LYS W 84 ? 1.9335 1.4822 1.6120 -0.1204 0.0092 -0.0263 84 LYS e NZ +41091 O OXT . LYS W 84 ? 2.4907 2.0101 2.1457 -0.1199 -0.0023 -0.0398 84 LYS e OXT +41092 N N . ILE X 14 ? 2.1229 1.9165 1.8775 -0.0638 -0.1492 -0.1031 15 ILE f N +41093 C CA . ILE X 14 ? 2.1003 1.9028 1.8645 -0.0633 -0.1471 -0.1002 15 ILE f CA +41094 C C . ILE X 14 ? 1.9732 1.7719 1.7339 -0.0599 -0.1415 -0.0957 15 ILE f C +41095 O O . ILE X 14 ? 1.9984 1.7921 1.7504 -0.0552 -0.1408 -0.0940 15 ILE f O +41096 C CB . ILE X 14 ? 2.1146 1.9256 1.8824 -0.0606 -0.1512 -0.1005 15 ILE f CB +41097 C CG1 . ILE X 14 ? 2.3814 2.1986 2.1557 -0.0645 -0.1565 -0.1049 15 ILE f CG1 +41098 C CG2 . ILE X 14 ? 1.9794 1.7979 1.7548 -0.0589 -0.1484 -0.0969 15 ILE f CG2 +41099 C CD1 . ILE X 14 ? 2.2858 2.1121 2.0648 -0.0620 -0.1607 -0.1053 15 ILE f CD1 +41100 N N A PHE X 15 ? 1.7025 1.5038 1.4702 -0.0623 -0.1374 -0.0938 16 PHE f N +41101 N N B PHE X 15 ? 1.7030 1.5038 1.4703 -0.0624 -0.1373 -0.0938 16 PHE f N +41102 C CA A PHE X 15 ? 1.6249 1.4233 1.3905 -0.0596 -0.1320 -0.0896 16 PHE f CA +41103 C CA B PHE X 15 ? 1.6249 1.4233 1.3905 -0.0595 -0.1320 -0.0895 16 PHE f CA +41104 C C A PHE X 15 ? 1.5653 1.3728 1.3384 -0.0575 -0.1310 -0.0867 16 PHE f C +41105 C C B PHE X 15 ? 1.5664 1.3739 1.3392 -0.0573 -0.1313 -0.0868 16 PHE f C +41106 O O A PHE X 15 ? 1.5221 1.3379 1.3050 -0.0603 -0.1322 -0.0875 16 PHE f O +41107 O O B PHE X 15 ? 1.5288 1.3450 1.3111 -0.0598 -0.1332 -0.0879 16 PHE f O +41108 C CB A PHE X 15 ? 1.5780 1.3724 1.3454 -0.0634 -0.1280 -0.0891 16 PHE f CB +41109 C CB B PHE X 15 ? 1.5759 1.3705 1.3434 -0.0630 -0.1277 -0.0888 16 PHE f CB +41110 C CG A PHE X 15 ? 1.4965 1.2805 1.2552 -0.0648 -0.1282 -0.0914 16 PHE f CG +41111 C CG B PHE X 15 ? 1.5200 1.3194 1.2966 -0.0689 -0.1287 -0.0912 16 PHE f CG +41112 C CD1 A PHE X 15 ? 1.3210 1.0983 1.0692 -0.0613 -0.1299 -0.0921 16 PHE f CD1 +41113 C CD1 B PHE X 15 ? 1.5495 1.3430 1.3237 -0.0731 -0.1292 -0.0941 16 PHE f CD1 +41114 C CD2 A PHE X 15 ? 1.4724 1.2532 1.2334 -0.0697 -0.1266 -0.0928 16 PHE f CD2 +41115 C CD2 B PHE X 15 ? 1.4033 1.2131 1.1908 -0.0704 -0.1289 -0.0905 16 PHE f CD2 +41116 C CE1 A PHE X 15 ? 1.2943 1.0619 1.0344 -0.0625 -0.1301 -0.0942 16 PHE f CE1 +41117 C CE1 B PHE X 15 ? 1.4176 1.2155 1.2002 -0.0788 -0.1299 -0.0963 16 PHE f CE1 +41118 C CE2 A PHE X 15 ? 1.3471 1.1182 1.1000 -0.0711 -0.1268 -0.0949 16 PHE f CE2 +41119 C CE2 B PHE X 15 ? 1.4588 1.2732 1.2548 -0.0759 -0.1295 -0.0928 16 PHE f CE2 +41120 C CZ A PHE X 15 ? 1.3451 1.1095 1.0875 -0.0674 -0.1286 -0.0956 16 PHE f CZ +41121 C CZ B PHE X 15 ? 1.5711 1.3796 1.3647 -0.0802 -0.1300 -0.0956 16 PHE f CZ +41122 N N . THR X 16 ? 1.3224 1.1278 1.0907 -0.0526 -0.1286 -0.0834 17 THR f N +41123 C CA . THR X 16 ? 1.3709 1.1838 1.1446 -0.0500 -0.1277 -0.0805 17 THR f CA +41124 C C . THR X 16 ? 1.3735 1.1887 1.1533 -0.0511 -0.1227 -0.0775 17 THR f C +41125 O O . THR X 16 ? 1.1345 0.9449 0.9135 -0.0534 -0.1196 -0.0773 17 THR f O +41126 C CB . THR X 16 ? 1.4748 1.2843 1.2400 -0.0443 -0.1277 -0.0785 17 THR f CB +41127 O OG1 . THR X 16 ? 1.1758 0.9782 0.9349 -0.0423 -0.1230 -0.0759 17 THR f OG1 +41128 C CG2 . THR X 16 ? 1.5468 1.3522 1.3044 -0.0432 -0.1323 -0.0816 17 THR f CG2 +41129 N N . VAL X 17 ? 1.2397 1.0622 1.0255 -0.0492 -0.1220 -0.0752 18 VAL f N +41130 C CA . VAL X 17 ? 1.0062 0.8312 0.7975 -0.0497 -0.1173 -0.0721 18 VAL f CA +41131 C C . VAL X 17 ? 1.0178 0.8349 0.8016 -0.0472 -0.1130 -0.0694 18 VAL f C +41132 O O . VAL X 17 ? 0.9473 0.7621 0.7327 -0.0491 -0.1093 -0.0682 18 VAL f O +41133 C CB . VAL X 17 ? 1.2347 1.0684 1.0326 -0.0477 -0.1176 -0.0701 18 VAL f CB +41134 C CG1 . VAL X 17 ? 0.9952 0.8306 0.7974 -0.0474 -0.1127 -0.0665 18 VAL f CG1 +41135 C CG2 . VAL X 17 ? 1.0524 0.8946 0.8593 -0.0506 -0.1214 -0.0727 18 VAL f CG2 +41136 N N . ARG X 18 ? 1.0224 0.8351 0.7978 -0.0429 -0.1133 -0.0685 19 ARG f N +41137 C CA . ARG X 18 ? 0.9891 0.7945 0.7573 -0.0403 -0.1092 -0.0661 19 ARG f CA +41138 C C . ARG X 18 ? 1.2910 1.0884 1.0543 -0.0428 -0.1084 -0.0680 19 ARG f C +41139 O O . ARG X 18 ? 1.2661 1.0589 1.0271 -0.0424 -0.1044 -0.0662 19 ARG f O +41140 C CB . ARG X 18 ? 1.2476 1.0497 1.0074 -0.0354 -0.1099 -0.0650 19 ARG f CB +41141 C CG . ARG X 18 ? 1.2232 1.0187 0.9762 -0.0325 -0.1055 -0.0624 19 ARG f CG +41142 C CD . ARG X 18 ? 1.3328 1.1246 1.0771 -0.0278 -0.1060 -0.0616 19 ARG f CD +41143 N NE . ARG X 18 ? 1.4791 1.2641 1.2149 -0.0276 -0.1087 -0.0644 19 ARG f NE +41144 C CZ . ARG X 18 ? 1.5314 1.3119 1.2583 -0.0238 -0.1094 -0.0642 19 ARG f CZ +41145 N NH1 . ARG X 18 ? 1.6136 1.3954 1.3386 -0.0200 -0.1075 -0.0613 19 ARG f NH1 +41146 N NH2 . ARG X 18 ? 1.4412 1.2154 1.1606 -0.0240 -0.1119 -0.0670 19 ARG f NH2 +41147 N N . TRP X 19 ? 1.1603 0.9560 0.9221 -0.0453 -0.1122 -0.0716 20 TRP f N +41148 C CA . TRP X 19 ? 1.1847 0.9728 0.9423 -0.0481 -0.1115 -0.0736 20 TRP f CA +41149 C C . TRP X 19 ? 1.0264 0.8163 0.7912 -0.0521 -0.1087 -0.0731 20 TRP f C +41150 O O . TRP X 19 ? 0.9533 0.7367 0.7146 -0.0525 -0.1053 -0.0722 20 TRP f O +41151 C CB . TRP X 19 ? 1.1500 0.9368 0.9054 -0.0503 -0.1165 -0.0778 20 TRP f CB +41152 C CG . TRP X 19 ? 1.1953 0.9732 0.9448 -0.0527 -0.1161 -0.0799 20 TRP f CG +41153 C CD1 . TRP X 19 ? 1.3050 1.0740 1.0437 -0.0505 -0.1165 -0.0809 20 TRP f CD1 +41154 C CD2 . TRP X 19 ? 1.1049 0.8816 0.8586 -0.0578 -0.1150 -0.0814 20 TRP f CD2 +41155 N NE1 . TRP X 19 ? 1.2643 1.0266 1.0003 -0.0538 -0.1159 -0.0829 20 TRP f NE1 +41156 C CE2 . TRP X 19 ? 1.2757 1.0424 1.0206 -0.0584 -0.1149 -0.0832 20 TRP f CE2 +41157 C CE3 . TRP X 19 ? 1.1819 0.9647 0.9456 -0.0618 -0.1140 -0.0813 20 TRP f CE3 +41158 C CZ2 . TRP X 19 ? 1.1574 0.9199 0.9033 -0.0629 -0.1139 -0.0848 20 TRP f CZ2 +41159 C CZ3 . TRP X 19 ? 1.3094 1.0881 1.0740 -0.0664 -0.1129 -0.0829 20 TRP f CZ3 +41160 C CH2 . TRP X 19 ? 1.3483 1.1168 1.1040 -0.0670 -0.1129 -0.0847 20 TRP f CH2 +41161 N N . VAL X 20 ? 0.9713 0.7696 0.7459 -0.0551 -0.1101 -0.0737 21 VAL f N +41162 C CA . VAL X 20 ? 0.9686 0.7692 0.7505 -0.0589 -0.1073 -0.0732 21 VAL f CA +41163 C C . VAL X 20 ? 0.9917 0.7912 0.7734 -0.0565 -0.1024 -0.0692 21 VAL f C +41164 O O . VAL X 20 ? 1.0569 0.8519 0.8379 -0.0581 -0.0991 -0.0684 21 VAL f O +41165 C CB . VAL X 20 ? 1.0533 0.8641 0.8459 -0.0618 -0.1096 -0.0743 21 VAL f CB +41166 C CG1 . VAL X 20 ? 1.0121 0.8255 0.8121 -0.0655 -0.1064 -0.0734 21 VAL f CG1 +41167 C CG2 . VAL X 20 ? 1.2117 1.0237 1.0048 -0.0645 -0.1145 -0.0785 21 VAL f CG2 +41168 N N . ALA X 21 ? 1.0554 0.8588 0.8376 -0.0524 -0.1018 -0.0666 22 ALA f N +41169 C CA . ALA X 21 ? 1.1669 0.9703 0.9498 -0.0501 -0.0973 -0.0629 22 ALA f CA +41170 C C . ALA X 21 ? 1.1683 0.9623 0.9426 -0.0484 -0.0943 -0.0619 22 ALA f C +41171 O O . ALA X 21 ? 1.1393 0.9316 0.9149 -0.0487 -0.0905 -0.0600 22 ALA f O +41172 C CB . ALA X 21 ? 0.9782 0.7867 0.7619 -0.0460 -0.0976 -0.0606 22 ALA f CB +41173 N N . VAL X 22 ? 1.1340 0.9219 0.8996 -0.0463 -0.0960 -0.0633 23 VAL f N +41174 C CA . VAL X 22 ? 0.9805 0.7594 0.7376 -0.0443 -0.0932 -0.0625 23 VAL f CA +41175 C C . VAL X 22 ? 1.0423 0.8158 0.7990 -0.0481 -0.0920 -0.0640 23 VAL f C +41176 O O . VAL X 22 ? 1.0368 0.8056 0.7912 -0.0475 -0.0884 -0.0623 23 VAL f O +41177 C CB . VAL X 22 ? 1.0931 0.8668 0.8409 -0.0412 -0.0954 -0.0637 23 VAL f CB +41178 C CG1 . VAL X 22 ? 0.9978 0.7615 0.7367 -0.0398 -0.0930 -0.0638 23 VAL f CG1 +41179 C CG2 . VAL X 22 ? 0.9638 0.7415 0.7108 -0.0368 -0.0953 -0.0614 23 VAL f CG2 +41180 N N . HIS X 23 ? 1.0207 0.7945 0.7795 -0.0522 -0.0952 -0.0672 24 HIS f N +41181 C CA . HIS X 23 ? 1.0651 0.8321 0.8216 -0.0557 -0.0942 -0.0689 24 HIS f CA +41182 C C . HIS X 23 ? 0.9936 0.7635 0.7576 -0.0591 -0.0915 -0.0678 24 HIS f C +41183 O O . HIS X 23 ? 0.9678 0.7311 0.7289 -0.0605 -0.0890 -0.0677 24 HIS f O +41184 C CB . HIS X 23 ? 0.9367 0.7021 0.6917 -0.0589 -0.0986 -0.0731 24 HIS f CB +41185 C CG . HIS X 23 ? 1.1693 0.9289 0.9147 -0.0558 -0.1008 -0.0744 24 HIS f CG +41186 N ND1 . HIS X 23 ? 1.2148 0.9783 0.9591 -0.0527 -0.1035 -0.0745 24 HIS f ND1 +41187 C CD2 . HIS X 23 ? 1.1534 0.9031 0.8895 -0.0552 -0.1005 -0.0758 24 HIS f CD2 +41188 C CE1 . HIS X 23 ? 1.1715 0.9280 0.9062 -0.0504 -0.1048 -0.0758 24 HIS f CE1 +41189 N NE2 . HIS X 23 ? 1.2426 0.9907 0.9722 -0.0519 -0.1031 -0.0767 24 HIS f NE2 +41190 N N . THR X 24 ? 1.0341 0.8134 0.8074 -0.0602 -0.0918 -0.0668 25 THR f N +41191 C CA . THR X 24 ? 1.0492 0.8312 0.8293 -0.0632 -0.0890 -0.0655 25 THR f CA +41192 C C . THR X 24 ? 0.8890 0.6672 0.6663 -0.0603 -0.0845 -0.0622 25 THR f C +41193 O O . THR X 24 ? 1.0180 0.7941 0.7973 -0.0625 -0.0817 -0.0614 25 THR f O +41194 C CB . THR X 24 ? 1.0251 0.8179 0.8153 -0.0644 -0.0901 -0.0651 25 THR f CB +41195 O OG1 . THR X 24 ? 1.2059 1.0029 0.9962 -0.0598 -0.0899 -0.0627 25 THR f OG1 +41196 C CG2 . THR X 24 ? 1.0071 0.8041 0.8010 -0.0676 -0.0945 -0.0686 25 THR f CG2 +41197 N N . LEU X 25 ? 0.9972 0.7743 0.7698 -0.0554 -0.0837 -0.0602 26 LEU f N +41198 C CA . LEU X 25 ? 1.0126 0.7855 0.7815 -0.0523 -0.0796 -0.0574 26 LEU f CA +41199 C C . LEU X 25 ? 1.0531 0.8155 0.8124 -0.0513 -0.0788 -0.0584 26 LEU f C +41200 O O . LEU X 25 ? 1.0722 0.8295 0.8295 -0.0515 -0.0758 -0.0573 26 LEU f O +41201 C CB . LEU X 25 ? 1.1039 0.8809 0.8726 -0.0476 -0.0788 -0.0548 26 LEU f CB +41202 C CG . LEU X 25 ? 1.1428 0.9297 0.9207 -0.0479 -0.0788 -0.0531 26 LEU f CG +41203 C CD1 . LEU X 25 ? 1.1270 0.9166 0.9036 -0.0432 -0.0777 -0.0505 26 LEU f CD1 +41204 C CD2 . LEU X 25 ? 0.9961 0.7849 0.7801 -0.0505 -0.0760 -0.0518 26 LEU f CD2 +41205 N N . ALA X 26 ? 0.9859 0.7447 0.7389 -0.0501 -0.0816 -0.0605 27 ALA f N +41206 C CA . ALA X 26 ? 1.0432 0.7922 0.7863 -0.0480 -0.0806 -0.0611 27 ALA f CA +41207 C C . ALA X 26 ? 1.0543 0.7962 0.7951 -0.0520 -0.0806 -0.0633 27 ALA f C +41208 O O . ALA X 26 ? 1.0221 0.7559 0.7565 -0.0507 -0.0782 -0.0628 27 ALA f O +41209 C CB . ALA X 26 ? 1.0419 0.7891 0.7787 -0.0455 -0.0836 -0.0626 27 ALA f CB +41210 N N . VAL X 27 ? 0.8909 0.6356 0.6366 -0.0568 -0.0831 -0.0657 28 VAL f N +41211 C CA . VAL X 27 ? 0.9088 0.6465 0.6519 -0.0608 -0.0833 -0.0681 28 VAL f CA +41212 C C . VAL X 27 ? 1.0162 0.7515 0.7613 -0.0621 -0.0793 -0.0661 28 VAL f C +41213 O O . VAL X 27 ? 1.0620 0.7881 0.8004 -0.0618 -0.0775 -0.0663 28 VAL f O +41214 C CB . VAL X 27 ? 1.0861 0.8280 0.8346 -0.0658 -0.0869 -0.0713 28 VAL f CB +41215 C CG1 . VAL X 27 ? 0.9618 0.6976 0.7096 -0.0707 -0.0863 -0.0732 28 VAL f CG1 +41216 C CG2 . VAL X 27 ? 0.9697 0.7116 0.7140 -0.0646 -0.0911 -0.0738 28 VAL f CG2 +41217 N N . PRO X 28 ? 1.1497 0.8924 0.9033 -0.0632 -0.0777 -0.0641 29 PRO f N +41218 C CA . PRO X 28 ? 0.9314 0.6711 0.6859 -0.0640 -0.0738 -0.0621 29 PRO f CA +41219 C C . PRO X 28 ? 0.8867 0.6213 0.6351 -0.0590 -0.0708 -0.0595 29 PRO f C +41220 O O . PRO X 28 ? 0.9607 0.6886 0.7058 -0.0593 -0.0681 -0.0588 29 PRO f O +41221 C CB . PRO X 28 ? 0.9567 0.7064 0.7216 -0.0657 -0.0732 -0.0605 29 PRO f CB +41222 C CG . PRO X 28 ? 1.0770 0.8339 0.8467 -0.0674 -0.0771 -0.0626 29 PRO f CG +41223 C CD . PRO X 28 ? 1.0205 0.7742 0.7830 -0.0640 -0.0794 -0.0637 29 PRO f CD +41224 N N . THR X 29 ? 0.9339 0.6716 0.6807 -0.0544 -0.0709 -0.0580 30 THR f N +41225 C CA . THR X 29 ? 0.9164 0.6499 0.6578 -0.0495 -0.0680 -0.0556 30 THR f CA +41226 C C . THR X 29 ? 1.0059 0.7283 0.7378 -0.0487 -0.0674 -0.0570 30 THR f C +41227 O O . THR X 29 ? 1.1527 0.8698 0.8815 -0.0474 -0.0644 -0.0555 30 THR f O +41228 C CB . THR X 29 ? 0.9754 0.7136 0.7160 -0.0451 -0.0687 -0.0544 30 THR f CB +41229 O OG1 . THR X 29 ? 1.0112 0.7593 0.7606 -0.0455 -0.0687 -0.0527 30 THR f OG1 +41230 C CG2 . THR X 29 ? 0.9017 0.6356 0.6365 -0.0401 -0.0657 -0.0523 30 THR f CG2 +41231 N N . ILE X 30 ? 1.0122 0.7307 0.7390 -0.0495 -0.0703 -0.0599 31 ILE f N +41232 C CA . ILE X 30 ? 1.0160 0.7235 0.7332 -0.0486 -0.0699 -0.0614 31 ILE f CA +41233 C C . ILE X 30 ? 1.0458 0.7475 0.7630 -0.0526 -0.0685 -0.0621 31 ILE f C +41234 O O . ILE X 30 ? 1.0254 0.7190 0.7365 -0.0510 -0.0661 -0.0615 31 ILE f O +41235 C CB . ILE X 30 ? 1.1157 0.8205 0.8278 -0.0491 -0.0736 -0.0645 31 ILE f CB +41236 C CG1 . ILE X 30 ? 0.9613 0.6702 0.6718 -0.0446 -0.0745 -0.0636 31 ILE f CG1 +41237 C CG2 . ILE X 30 ? 0.9682 0.6613 0.6709 -0.0491 -0.0734 -0.0664 31 ILE f CG2 +41238 C CD1 . ILE X 30 ? 1.0071 0.7159 0.7154 -0.0394 -0.0711 -0.0604 31 ILE f CD1 +41239 N N . PHE X 31 ? 0.9082 0.6139 0.6319 -0.0577 -0.0700 -0.0634 32 PHE f N +41240 C CA . PHE X 31 ? 0.8692 0.5699 0.5934 -0.0618 -0.0686 -0.0640 32 PHE f CA +41241 C C . PHE X 31 ? 1.0897 0.7895 0.8149 -0.0599 -0.0646 -0.0608 32 PHE f C +41242 O O . PHE X 31 ? 0.9752 0.6665 0.6953 -0.0601 -0.0625 -0.0606 32 PHE f O +41243 C CB . PHE X 31 ? 0.9520 0.6592 0.6846 -0.0675 -0.0706 -0.0657 32 PHE f CB +41244 C CG . PHE X 31 ? 0.9917 0.6945 0.7256 -0.0722 -0.0690 -0.0662 32 PHE f CG +41245 C CD1 . PHE X 31 ? 1.0297 0.7348 0.7682 -0.0726 -0.0659 -0.0636 32 PHE f CD1 +41246 C CD2 . PHE X 31 ? 1.0053 0.7014 0.7356 -0.0763 -0.0706 -0.0694 32 PHE f CD2 +41247 C CE1 . PHE X 31 ? 1.1337 0.8345 0.8730 -0.0769 -0.0643 -0.0640 32 PHE f CE1 +41248 C CE2 . PHE X 31 ? 1.1331 0.8248 0.8643 -0.0808 -0.0690 -0.0699 32 PHE f CE2 +41249 C CZ . PHE X 31 ? 1.1003 0.7942 0.8359 -0.0811 -0.0657 -0.0671 32 PHE f CZ +41250 N N . PHE X 32 ? 1.0089 0.7174 0.7405 -0.0578 -0.0634 -0.0581 33 PHE f N +41251 C CA . PHE X 32 ? 0.9980 0.7065 0.7311 -0.0560 -0.0598 -0.0551 33 PHE f CA +41252 C C . PHE X 32 ? 0.8962 0.5977 0.6212 -0.0509 -0.0578 -0.0538 33 PHE f C +41253 O O . PHE X 32 ? 0.9975 0.6939 0.7202 -0.0501 -0.0550 -0.0524 33 PHE f O +41254 C CB . PHE X 32 ? 0.9403 0.6598 0.6819 -0.0549 -0.0594 -0.0527 33 PHE f CB +41255 C CG . PHE X 32 ? 1.0209 0.7460 0.7708 -0.0596 -0.0594 -0.0528 33 PHE f CG +41256 C CD1 . PHE X 32 ? 0.8562 0.5833 0.6093 -0.0643 -0.0621 -0.0555 33 PHE f CD1 +41257 C CD2 . PHE X 32 ? 0.8601 0.5885 0.6147 -0.0593 -0.0566 -0.0501 33 PHE f CD2 +41258 C CE1 . PHE X 32 ? 0.8575 0.5900 0.6185 -0.0686 -0.0620 -0.0557 33 PHE f CE1 +41259 C CE2 . PHE X 32 ? 0.9756 0.7092 0.7379 -0.0636 -0.0565 -0.0501 33 PHE f CE2 +41260 C CZ . PHE X 32 ? 1.0032 0.7388 0.7687 -0.0683 -0.0591 -0.0529 33 PHE f CZ +41261 N N . LEU X 33 ? 0.9563 0.6576 0.6769 -0.0472 -0.0589 -0.0542 34 LEU f N +41262 C CA . LEU X 33 ? 0.9745 0.6697 0.6876 -0.0422 -0.0570 -0.0531 34 LEU f CA +41263 C C . LEU X 33 ? 1.1677 0.8511 0.8725 -0.0430 -0.0565 -0.0549 34 LEU f C +41264 O O . LEU X 33 ? 1.0222 0.6997 0.7221 -0.0399 -0.0539 -0.0535 34 LEU f O +41265 C CB . LEU X 33 ? 0.9832 0.6807 0.6934 -0.0386 -0.0584 -0.0534 34 LEU f CB +41266 C CG . LEU X 33 ? 1.0475 0.7550 0.7638 -0.0360 -0.0579 -0.0510 34 LEU f CG +41267 C CD1 . LEU X 33 ? 1.0594 0.7678 0.7716 -0.0326 -0.0593 -0.0515 34 LEU f CD1 +41268 C CD2 . LEU X 33 ? 1.0111 0.7191 0.7285 -0.0329 -0.0543 -0.0479 34 LEU f CD2 +41269 N N . GLY X 34 ? 0.9900 0.6697 0.6931 -0.0472 -0.0590 -0.0579 35 GLY f N +41270 C CA . GLY X 34 ? 0.9512 0.6195 0.6467 -0.0485 -0.0586 -0.0596 35 GLY f CA +41271 C C . GLY X 34 ? 0.9819 0.6471 0.6792 -0.0507 -0.0560 -0.0583 35 GLY f C +41272 O O . GLY X 34 ? 1.0243 0.6807 0.7151 -0.0489 -0.0540 -0.0578 35 GLY f O +41273 N N . ALA X 35 ? 1.0728 0.7453 0.7789 -0.0544 -0.0561 -0.0576 36 ALA f N +41274 C CA . ALA X 35 ? 1.0323 0.7027 0.7407 -0.0566 -0.0535 -0.0562 36 ALA f CA +41275 C C . ALA X 35 ? 0.9070 0.5768 0.6140 -0.0517 -0.0504 -0.0530 36 ALA f C +41276 O O . ALA X 35 ? 0.9583 0.6206 0.6612 -0.0514 -0.0482 -0.0522 36 ALA f O +41277 C CB . ALA X 35 ? 0.8957 0.5752 0.6141 -0.0611 -0.0542 -0.0560 36 ALA f CB +41278 N N . ILE X 36 ? 0.9243 0.6018 0.6346 -0.0478 -0.0501 -0.0511 37 ILE f N +41279 C CA . ILE X 36 ? 0.9911 0.6687 0.7006 -0.0431 -0.0472 -0.0482 37 ILE f CA +41280 C C . ILE X 36 ? 0.9342 0.6024 0.6339 -0.0389 -0.0462 -0.0485 37 ILE f C +41281 O O . ILE X 36 ? 0.9915 0.6555 0.6883 -0.0361 -0.0437 -0.0468 37 ILE f O +41282 C CB . ILE X 36 ? 0.9621 0.6506 0.6780 -0.0403 -0.0472 -0.0462 37 ILE f CB +41283 C CG1 . ILE X 36 ? 0.8868 0.5843 0.6123 -0.0444 -0.0480 -0.0457 37 ILE f CG1 +41284 C CG2 . ILE X 36 ? 0.9058 0.5947 0.6210 -0.0355 -0.0443 -0.0433 37 ILE f CG2 +41285 C CD1 . ILE X 36 ? 0.9444 0.6525 0.6761 -0.0422 -0.0485 -0.0442 37 ILE f CD1 +41286 N N . ALA X 37 ? 0.9779 0.6427 0.6723 -0.0381 -0.0482 -0.0507 38 ALA f N +41287 C CA . ALA X 37 ? 0.9719 0.6271 0.6565 -0.0344 -0.0473 -0.0514 38 ALA f CA +41288 C C . ALA X 37 ? 1.0707 0.7153 0.7501 -0.0365 -0.0462 -0.0521 38 ALA f C +41289 O O . ALA X 37 ? 1.0246 0.6631 0.6989 -0.0330 -0.0439 -0.0509 38 ALA f O +41290 C CB . ALA X 37 ? 1.0539 0.7070 0.7336 -0.0339 -0.0498 -0.0539 38 ALA f CB +41291 N N . ALA X 38 ? 0.9753 0.6180 0.6563 -0.0422 -0.0477 -0.0541 39 ALA f N +41292 C CA . ALA X 38 ? 1.0797 0.7124 0.7561 -0.0448 -0.0465 -0.0548 39 ALA f CA +41293 C C . ALA X 38 ? 1.2220 0.8547 0.9004 -0.0434 -0.0435 -0.0518 39 ALA f C +41294 O O . ALA X 38 ? 1.0179 0.6410 0.6897 -0.0421 -0.0418 -0.0516 39 ALA f O +41295 C CB . ALA X 38 ? 0.9999 0.6328 0.6797 -0.0517 -0.0485 -0.0571 39 ALA f CB +41296 N N . MET X 39 ? 1.1224 0.7654 0.8095 -0.0435 -0.0429 -0.0497 40 MET f N +41297 C CA . MET X 39 ? 0.9801 0.6231 0.6692 -0.0425 -0.0402 -0.0470 40 MET f CA +41298 C C . MET X 39 ? 0.9461 0.5851 0.6298 -0.0362 -0.0381 -0.0453 40 MET f C +41299 O O . MET X 39 ? 1.0335 0.6686 0.7158 -0.0351 -0.0359 -0.0436 40 MET f O +41300 C CB . MET X 39 ? 1.0554 0.7105 0.7548 -0.0435 -0.0400 -0.0451 40 MET f CB +41301 C CG . MET X 39 ? 1.1015 0.7618 0.8076 -0.0496 -0.0418 -0.0466 40 MET f CG +41302 S SD . MET X 39 ? 1.0200 0.6954 0.7374 -0.0494 -0.0421 -0.0446 40 MET f SD +41303 C CE . MET X 39 ? 0.8688 0.5492 0.5928 -0.0564 -0.0446 -0.0470 40 MET f CE +41304 N N . GLN X 40 ? 0.9725 0.6122 0.6529 -0.0319 -0.0386 -0.0456 41 GLN f N +41305 C CA . GLN X 40 ? 1.0183 0.6550 0.6942 -0.0258 -0.0365 -0.0440 41 GLN f CA +41306 C C . GLN X 40 ? 1.1495 0.7734 0.8163 -0.0248 -0.0354 -0.0447 41 GLN f C +41307 O O . GLN X 40 ? 1.1144 0.7354 0.7778 -0.0200 -0.0334 -0.0432 41 GLN f O +41308 C CB . GLN X 40 ? 0.9519 0.5919 0.6260 -0.0216 -0.0372 -0.0443 41 GLN f CB +41309 C CG . GLN X 40 ? 0.9717 0.6235 0.6538 -0.0223 -0.0385 -0.0438 41 GLN f CG +41310 C CD . GLN X 40 ? 1.1082 0.7687 0.7990 -0.0231 -0.0373 -0.0412 41 GLN f CD +41311 O OE1 . GLN X 40 ? 1.0015 0.6623 0.6926 -0.0198 -0.0351 -0.0390 41 GLN f OE1 +41312 N NE2 . GLN X 40 ? 0.9525 0.6200 0.6504 -0.0273 -0.0388 -0.0415 41 GLN f NE2 +41313 N N . PHE X 41 ? 1.0333 0.6495 0.6962 -0.0292 -0.0366 -0.0470 42 PHE f N +41314 C CA . PHE X 41 ? 1.2599 0.8631 0.9137 -0.0286 -0.0356 -0.0479 42 PHE f CA +41315 C C . PHE X 41 ? 1.1870 0.7860 0.8417 -0.0327 -0.0345 -0.0473 42 PHE f C +41316 O O . PHE X 41 ? 1.3253 0.9131 0.9725 -0.0324 -0.0334 -0.0477 42 PHE f O +41317 C CB . PHE X 41 ? 1.0660 0.6620 0.7130 -0.0302 -0.0376 -0.0511 42 PHE f CB +41318 C CG . PHE X 41 ? 1.1368 0.7360 0.7820 -0.0260 -0.0385 -0.0517 42 PHE f CG +41319 C CD1 . PHE X 41 ? 1.1810 0.7756 0.8198 -0.0199 -0.0369 -0.0510 42 PHE f CD1 +41320 C CD2 . PHE X 41 ? 1.1460 0.7535 0.7961 -0.0279 -0.0408 -0.0527 42 PHE f CD2 +41321 C CE1 . PHE X 41 ? 1.2384 0.8363 0.8755 -0.0159 -0.0375 -0.0514 42 PHE f CE1 +41322 C CE2 . PHE X 41 ? 1.1410 0.7514 0.7892 -0.0239 -0.0415 -0.0531 42 PHE f CE2 +41323 C CZ . PHE X 41 ? 1.1647 0.7704 0.8065 -0.0180 -0.0397 -0.0524 42 PHE f CZ +41324 N N . ILE X 42 ? 1.1321 0.7395 0.7955 -0.0362 -0.0345 -0.0462 43 ILE f N +41325 C CA . ILE X 42 ? 1.0007 0.6047 0.6653 -0.0396 -0.0331 -0.0452 43 ILE f CA +41326 C C . ILE X 42 ? 1.1369 0.7377 0.7987 -0.0348 -0.0306 -0.0426 43 ILE f C +41327 O O . ILE X 42 ? 1.0968 0.7044 0.7616 -0.0301 -0.0299 -0.0407 43 ILE f O +41328 C CB . ILE X 42 ? 1.0541 0.6686 0.7290 -0.0441 -0.0336 -0.0446 43 ILE f CB +41329 C CG1 . ILE X 42 ? 1.0295 0.6475 0.7073 -0.0486 -0.0363 -0.0473 43 ILE f CG1 +41330 C CG2 . ILE X 42 ? 1.0201 0.6305 0.6956 -0.0477 -0.0319 -0.0436 43 ILE f CG2 +41331 C CD1 . ILE X 42 ? 1.0971 0.7252 0.7849 -0.0531 -0.0369 -0.0468 43 ILE f CD1 +41332 N N . GLN X 43 ? 1.1080 0.6983 0.7639 -0.0359 -0.0293 -0.0426 44 GLN f N +41333 C CA . GLN X 43 ? 1.1948 0.7803 0.8468 -0.0314 -0.0270 -0.0404 44 GLN f CA +41334 C C . GLN X 43 ? 1.1456 0.7297 0.8001 -0.0353 -0.0257 -0.0391 44 GLN f C +41335 O O . GLN X 43 ? 1.1620 0.7432 0.8170 -0.0412 -0.0262 -0.0405 44 GLN f O +41336 C CB . GLN X 43 ? 1.2578 0.8303 0.8987 -0.0284 -0.0266 -0.0416 44 GLN f CB +41337 C CG . GLN X 43 ? 1.7914 1.3605 1.4280 -0.0218 -0.0248 -0.0395 44 GLN f CG +41338 C CD . GLN X 43 ? 1.9291 1.5035 1.5658 -0.0159 -0.0250 -0.0393 44 GLN f CD +41339 O OE1 . GLN X 43 ? 1.6790 1.2537 1.3140 -0.0159 -0.0265 -0.0413 44 GLN f OE1 +41340 N NE2 . GLN X 43 ? 2.0017 1.5804 1.6404 -0.0108 -0.0236 -0.0369 44 GLN f NE2 +41341 N N . ARG X 44 ? 1.1590 0.7457 0.8154 -0.0320 -0.0240 -0.0364 45 ARG f N +41342 C CA . ARG X 44 ? 1.2393 0.8241 0.8974 -0.0355 -0.0226 -0.0350 45 ARG f CA +41343 C C . ARG X 44 ? 1.2980 0.8680 0.9462 -0.0359 -0.0214 -0.0356 45 ARG f C +41344 O O . ARG X 44 ? 1.2962 0.8617 0.9440 -0.0406 -0.0206 -0.0355 45 ARG f O +41345 C CB . ARG X 44 ? 1.1770 0.7692 0.8403 -0.0321 -0.0212 -0.0320 45 ARG f CB +41346 C CG . ARG X 44 ? 1.1157 0.7030 0.7732 -0.0254 -0.0200 -0.0305 45 ARG f CG +41347 C CD . ARG X 44 ? 1.1099 0.7065 0.7738 -0.0222 -0.0190 -0.0278 45 ARG f CD +41348 N NE . ARG X 44 ? 1.0564 0.6488 0.7151 -0.0157 -0.0179 -0.0264 45 ARG f NE +41349 C CZ . ARG X 44 ? 1.2842 0.8683 0.9376 -0.0144 -0.0166 -0.0252 45 ARG f CZ +41350 N NH1 . ARG X 44 ? 0.9508 0.5298 0.6032 -0.0192 -0.0159 -0.0250 45 ARG f NH1 +41351 N NH2 . ARG X 44 ? 0.9707 0.5515 0.6195 -0.0080 -0.0158 -0.0241 45 ARG f NH2 +41352 O OXT . ARG X 44 ? 1.2697 0.8318 0.9100 -0.0317 -0.0213 -0.0361 45 ARG f OXT +41353 N N . ALA Y 1 ? 1.2101 1.2106 1.1685 0.0472 -0.1113 -0.0199 2 ALA h N +41354 C CA . ALA Y 1 ? 1.1473 1.1541 1.1142 0.0427 -0.1084 -0.0211 2 ALA h CA +41355 C C . ALA Y 1 ? 1.0889 1.1008 1.0624 0.0440 -0.1072 -0.0218 2 ALA h C +41356 O O . ALA Y 1 ? 1.4065 1.4179 1.3787 0.0484 -0.1091 -0.0217 2 ALA h O +41357 C CB . ALA Y 1 ? 1.0123 1.0260 0.9847 0.0405 -0.1106 -0.0239 2 ALA h CB +41358 N N A ARG Y 2 ? 0.9059 0.9224 0.8861 0.0401 -0.1039 -0.0224 3 ARG h N +41359 N N B ARG Y 2 ? 0.9060 0.9228 0.8865 0.0401 -0.1040 -0.0225 3 ARG h N +41360 C CA A ARG Y 2 ? 0.9442 0.9657 0.9310 0.0407 -0.1023 -0.0231 3 ARG h CA +41361 C CA B ARG Y 2 ? 0.9436 0.9650 0.9304 0.0406 -0.1021 -0.0231 3 ARG h CA +41362 C C A ARG Y 2 ? 0.8944 0.9262 0.8914 0.0384 -0.1028 -0.0263 3 ARG h C +41363 C C B ARG Y 2 ? 0.8941 0.9260 0.8913 0.0383 -0.1026 -0.0262 3 ARG h C +41364 O O A ARG Y 2 ? 0.8930 0.9267 0.8928 0.0339 -0.1010 -0.0268 3 ARG h O +41365 O O B ARG Y 2 ? 0.8940 0.9278 0.8940 0.0337 -0.1007 -0.0268 3 ARG h O +41366 C CB A ARG Y 2 ? 0.8629 0.8800 0.8482 0.0383 -0.0974 -0.0208 3 ARG h CB +41367 C CB B ARG Y 2 ? 0.8625 0.8789 0.8472 0.0379 -0.0972 -0.0206 3 ARG h CB +41368 C CG A ARG Y 2 ? 0.9726 0.9962 0.9662 0.0369 -0.0949 -0.0220 3 ARG h CG +41369 C CG B ARG Y 2 ? 1.0189 1.0393 1.0094 0.0380 -0.0948 -0.0210 3 ARG h CG +41370 C CD A ARG Y 2 ? 1.1005 1.1191 1.0912 0.0382 -0.0920 -0.0198 3 ARG h CD +41371 C CD B ARG Y 2 ? 1.0357 1.0504 1.0233 0.0354 -0.0902 -0.0185 3 ARG h CD +41372 N NE A ARG Y 2 ? 1.0094 1.0319 1.0062 0.0352 -0.0883 -0.0202 3 ARG h NE +41373 N NE B ARG Y 2 ? 1.0944 1.1016 1.0750 0.0385 -0.0897 -0.0161 3 ARG h NE +41374 C CZ A ARG Y 2 ? 1.0921 1.1119 1.0880 0.0357 -0.0855 -0.0188 3 ARG h CZ +41375 C CZ B ARG Y 2 ? 0.9936 0.9923 0.9656 0.0389 -0.0896 -0.0138 3 ARG h CZ +41376 N NH1 A ARG Y 2 ? 1.2013 1.2144 1.1908 0.0391 -0.0860 -0.0169 3 ARG h NH1 +41377 N NH1 B ARG Y 2 ? 0.7713 0.7678 0.7402 0.0368 -0.0900 -0.0134 3 ARG h NH1 +41378 N NH2 A ARG Y 2 ? 0.9330 0.9564 0.9343 0.0327 -0.0822 -0.0192 3 ARG h NH2 +41379 N NH2 B ARG Y 2 ? 1.0255 1.0179 0.9920 0.0416 -0.0889 -0.0118 3 ARG h NH2 +41380 N N . ARG Y 3 ? 0.8710 0.9096 0.8737 0.0415 -0.1052 -0.0283 4 ARG h N +41381 C CA . ARG Y 3 ? 0.9412 0.9902 0.9543 0.0394 -0.1054 -0.0314 4 ARG h CA +41382 C C . ARG Y 3 ? 1.0342 1.0855 1.0523 0.0371 -0.1009 -0.0311 4 ARG h C +41383 O O . ARG Y 3 ? 0.8682 0.9154 0.8833 0.0390 -0.0991 -0.0292 4 ARG h O +41384 C CB . ARG Y 3 ? 0.9733 1.0289 0.9907 0.0437 -0.1098 -0.0339 4 ARG h CB +41385 C CG . ARG Y 3 ? 1.2063 1.2603 1.2192 0.0459 -0.1145 -0.0346 4 ARG h CG +41386 C CD . ARG Y 3 ? 1.1118 1.1734 1.1298 0.0500 -0.1190 -0.0374 4 ARG h CD +41387 N NE . ARG Y 3 ? 1.2557 1.3284 1.2851 0.0474 -0.1187 -0.0405 4 ARG h NE +41388 C CZ . ARG Y 3 ? 1.3843 1.4655 1.4210 0.0503 -0.1211 -0.0430 4 ARG h CZ +41389 N NH1 . ARG Y 3 ? 1.5925 1.6724 1.6263 0.0562 -0.1241 -0.0429 4 ARG h NH1 +41390 N NH2 . ARG Y 3 ? 1.5079 1.5990 1.5549 0.0474 -0.1203 -0.0458 4 ARG h NH2 +41391 N N . THR Y 4 ? 0.7583 0.8158 0.7835 0.0327 -0.0991 -0.0327 5 THR h N +41392 C CA . THR Y 4 ? 0.7391 0.8006 0.7704 0.0307 -0.0952 -0.0330 5 THR h CA +41393 C C . THR Y 4 ? 0.8569 0.9293 0.8986 0.0292 -0.0961 -0.0364 5 THR h C +41394 O O . THR Y 4 ? 0.8764 0.9529 0.9205 0.0286 -0.0992 -0.0385 5 THR h O +41395 C CB . THR Y 4 ? 0.7763 0.8329 0.8052 0.0260 -0.0907 -0.0310 5 THR h CB +41396 O OG1 . THR Y 4 ? 0.8044 0.8627 0.8349 0.0218 -0.0907 -0.0321 5 THR h OG1 +41397 C CG2 . THR Y 4 ? 0.7524 0.7983 0.7712 0.0272 -0.0897 -0.0277 5 THR h CG2 +41398 N N . TRP Y 5 ? 0.8308 0.9081 0.8787 0.0285 -0.0933 -0.0371 6 TRP h N +41399 C CA . TRP Y 5 ? 0.8763 0.9643 0.9346 0.0268 -0.0934 -0.0403 6 TRP h CA +41400 C C . TRP Y 5 ? 0.9758 1.0658 1.0367 0.0212 -0.0923 -0.0413 6 TRP h C +41401 O O . TRP Y 5 ? 0.9295 1.0262 0.9958 0.0203 -0.0949 -0.0440 6 TRP h O +41402 C CB . TRP Y 5 ? 0.8752 0.9665 0.9385 0.0268 -0.0898 -0.0404 6 TRP h CB +41403 C CG . TRP Y 5 ? 1.1028 1.2042 1.1764 0.0240 -0.0886 -0.0433 6 TRP h CG +41404 C CD1 . TRP Y 5 ? 1.2079 1.3189 1.2896 0.0261 -0.0909 -0.0463 6 TRP h CD1 +41405 C CD2 . TRP Y 5 ? 1.1960 1.2990 1.2732 0.0184 -0.0845 -0.0435 6 TRP h CD2 +41406 N NE1 . TRP Y 5 ? 1.2805 1.3992 1.3707 0.0220 -0.0885 -0.0483 6 TRP h NE1 +41407 C CE2 . TRP Y 5 ? 1.3106 1.4244 1.3980 0.0172 -0.0845 -0.0466 6 TRP h CE2 +41408 C CE3 . TRP Y 5 ? 1.1044 1.2009 1.1770 0.0144 -0.0810 -0.0413 6 TRP h CE3 +41409 C CZ2 . TRP Y 5 ? 1.1906 1.3082 1.2835 0.0120 -0.0809 -0.0476 6 TRP h CZ2 +41410 C CZ3 . TRP Y 5 ? 1.0665 1.1666 1.1443 0.0094 -0.0776 -0.0422 6 TRP h CZ3 +41411 C CH2 . TRP Y 5 ? 1.3593 1.4698 1.4470 0.0082 -0.0775 -0.0453 6 TRP h CH2 +41412 N N . LEU Y 6 ? 0.8885 0.9724 0.9454 0.0175 -0.0886 -0.0392 7 LEU h N +41413 C CA . LEU Y 6 ? 0.8927 0.9775 0.9513 0.0123 -0.0874 -0.0399 7 LEU h CA +41414 C C . LEU Y 6 ? 0.9788 1.0608 1.0329 0.0125 -0.0911 -0.0402 7 LEU h C +41415 O O . LEU Y 6 ? 0.8547 0.9409 0.9125 0.0094 -0.0922 -0.0422 7 LEU h O +41416 C CB . LEU Y 6 ? 0.7991 0.8774 0.8537 0.0088 -0.0827 -0.0374 7 LEU h CB +41417 C CG . LEU Y 6 ? 0.8615 0.9399 0.9173 0.0033 -0.0808 -0.0379 7 LEU h CG +41418 C CD1 . LEU Y 6 ? 0.7994 0.8872 0.8652 0.0003 -0.0796 -0.0408 7 LEU h CD1 +41419 C CD2 . LEU Y 6 ? 0.7604 0.8309 0.8104 0.0008 -0.0768 -0.0350 7 LEU h CD2 +41420 N N . GLY Y 7 ? 0.7071 0.7820 0.7530 0.0160 -0.0931 -0.0382 8 GLY h N +41421 C CA . GLY Y 7 ? 0.8114 0.8833 0.8524 0.0166 -0.0967 -0.0384 8 GLY h CA +41422 C C . GLY Y 7 ? 0.8880 0.9679 0.9346 0.0183 -0.1012 -0.0417 8 GLY h C +41423 O O . GLY Y 7 ? 0.9350 1.0165 0.9823 0.0162 -0.1032 -0.0432 8 GLY h O +41424 N N . ASP Y 8 ? 0.8252 0.9104 0.8761 0.0223 -0.1028 -0.0428 9 ASP h N +41425 C CA . ASP Y 8 ? 0.8706 0.9643 0.9278 0.0241 -0.1071 -0.0461 9 ASP h CA +41426 C C . ASP Y 8 ? 0.8818 0.9840 0.9481 0.0193 -0.1062 -0.0490 9 ASP h C +41427 O O . ASP Y 8 ? 0.9008 1.0072 0.9697 0.0185 -0.1095 -0.0513 9 ASP h O +41428 C CB . ASP Y 8 ? 0.7238 0.8219 0.7845 0.0290 -0.1083 -0.0468 9 ASP h CB +41429 C CG . ASP Y 8 ? 0.7382 0.8284 0.7899 0.0343 -0.1102 -0.0445 9 ASP h CG +41430 O OD1 . ASP Y 8 ? 0.9061 0.9886 0.9494 0.0346 -0.1115 -0.0428 9 ASP h OD1 +41431 O OD2 . ASP Y 8 ? 1.0155 1.1071 1.0686 0.0381 -0.1102 -0.0443 9 ASP h OD2 +41432 N N . ILE Y 9 ? 0.8597 0.9640 0.9305 0.0159 -0.1016 -0.0488 10 ILE h N +41433 C CA . ILE Y 9 ? 0.7377 0.8494 0.8169 0.0109 -0.1001 -0.0512 10 ILE h CA +41434 C C . ILE Y 9 ? 0.8839 0.9916 0.9594 0.0068 -0.1003 -0.0511 10 ILE h C +41435 O O . ILE Y 9 ? 0.8829 0.9965 0.9638 0.0042 -0.1020 -0.0538 10 ILE h O +41436 C CB . ILE Y 9 ? 0.7594 0.8727 0.8427 0.0083 -0.0948 -0.0506 10 ILE h CB +41437 C CG1 . ILE Y 9 ? 0.9217 1.0401 1.0096 0.0124 -0.0949 -0.0512 10 ILE h CG1 +41438 C CG2 . ILE Y 9 ? 0.7980 0.9175 0.8888 0.0027 -0.0927 -0.0527 10 ILE h CG2 +41439 C CD1 . ILE Y 9 ? 1.2105 1.3298 1.3016 0.0103 -0.0897 -0.0504 10 ILE h CD1 +41440 N N . LEU Y 10 ? 0.8869 0.9847 0.9535 0.0061 -0.0985 -0.0481 11 LEU h N +41441 C CA . LEU Y 10 ? 0.8559 0.9493 0.9187 0.0022 -0.0983 -0.0478 11 LEU h CA +41442 C C . LEU Y 10 ? 0.7827 0.8736 0.8404 0.0044 -0.1032 -0.0484 11 LEU h C +41443 O O . LEU Y 10 ? 0.9199 1.0078 0.9748 0.0014 -0.1035 -0.0486 11 LEU h O +41444 C CB . LEU Y 10 ? 0.8682 0.9522 0.9237 0.0004 -0.0943 -0.0444 11 LEU h CB +41445 C CG . LEU Y 10 ? 0.9063 0.9911 0.9652 -0.0023 -0.0892 -0.0435 11 LEU h CG +41446 C CD1 . LEU Y 10 ? 0.9780 1.0528 1.0284 -0.0029 -0.0862 -0.0400 11 LEU h CD1 +41447 C CD2 . LEU Y 10 ? 0.7486 0.8390 0.8145 -0.0076 -0.0872 -0.0456 11 LEU h CD2 +41448 N N . ARG Y 11 ? 0.9727 1.0645 1.0290 0.0097 -0.1069 -0.0486 12 ARG h N +41449 C CA . ARG Y 11 ? 0.8303 0.9182 0.8802 0.0124 -0.1114 -0.0487 12 ARG h CA +41450 C C . ARG Y 11 ? 1.0100 1.1024 1.0632 0.0098 -0.1144 -0.0516 12 ARG h C +41451 O O . ARG Y 11 ? 0.8852 0.9714 0.9312 0.0095 -0.1161 -0.0509 12 ARG h O +41452 C CB . ARG Y 11 ? 0.8944 0.9838 0.9435 0.0185 -0.1148 -0.0488 12 ARG h CB +41453 C CG . ARG Y 11 ? 1.0316 1.1191 1.0756 0.0219 -0.1202 -0.0495 12 ARG h CG +41454 C CD . ARG Y 11 ? 0.9315 1.0075 0.9637 0.0242 -0.1200 -0.0461 12 ARG h CD +41455 N NE . ARG Y 11 ? 0.9974 1.0675 1.0244 0.0203 -0.1187 -0.0451 12 ARG h NE +41456 C CZ . ARG Y 11 ? 1.0553 1.1155 1.0723 0.0212 -0.1179 -0.0423 12 ARG h CZ +41457 N NH1 . ARG Y 11 ? 1.0924 1.1471 1.1032 0.0255 -0.1183 -0.0400 12 ARG h NH1 +41458 N NH2 . ARG Y 11 ? 0.9606 1.0163 0.9737 0.0176 -0.1167 -0.0417 12 ARG h NH2 +41459 N N . PRO Y 12 ? 0.8209 0.9234 0.8841 0.0078 -0.1152 -0.0549 13 PRO h N +41460 C CA . PRO Y 12 ? 0.9453 1.0513 1.0111 0.0050 -0.1180 -0.0576 13 PRO h CA +41461 C C . PRO Y 12 ? 0.8938 0.9934 0.9550 0.0001 -0.1155 -0.0565 13 PRO h C +41462 O O . PRO Y 12 ? 0.9213 1.0188 0.9790 -0.0007 -0.1183 -0.0575 13 PRO h O +41463 C CB . PRO Y 12 ? 0.7939 0.9116 0.8719 0.0028 -0.1176 -0.0609 13 PRO h CB +41464 C CG . PRO Y 12 ? 0.9622 1.0833 1.0433 0.0069 -0.1172 -0.0605 13 PRO h CG +41465 C CD . PRO Y 12 ? 0.8816 0.9929 0.9542 0.0086 -0.1141 -0.0565 13 PRO h CD +41466 N N . LEU Y 13 ? 0.9441 1.0404 1.0048 -0.0029 -0.1103 -0.0545 14 LEU h N +41467 C CA . LEU Y 13 ? 0.8543 0.9452 0.9116 -0.0077 -0.1076 -0.0537 14 LEU h CA +41468 C C . LEU Y 13 ? 0.7558 0.8363 0.8019 -0.0062 -0.1084 -0.0511 14 LEU h C +41469 O O . LEU Y 13 ? 0.8548 0.9308 0.8973 -0.0097 -0.1073 -0.0508 14 LEU h O +41470 C CB . LEU Y 13 ? 0.7039 0.7943 0.7637 -0.0109 -0.1020 -0.0522 14 LEU h CB +41471 C CG . LEU Y 13 ? 0.8582 0.9585 0.9289 -0.0127 -0.1005 -0.0545 14 LEU h CG +41472 C CD1 . LEU Y 13 ? 0.7989 0.8972 0.8704 -0.0151 -0.0949 -0.0526 14 LEU h CD1 +41473 C CD2 . LEU Y 13 ? 0.7813 0.8880 0.8585 -0.0168 -0.1018 -0.0579 14 LEU h CD2 +41474 N N . ASN Y 14 ? 0.7185 0.7948 0.7587 -0.0013 -0.1100 -0.0492 15 ASN h N +41475 C CA . ASN Y 14 ? 0.9837 1.0503 1.0133 0.0002 -0.1108 -0.0469 15 ASN h CA +41476 C C . ASN Y 14 ? 0.9455 1.0122 0.9717 0.0049 -0.1161 -0.0478 15 ASN h C +41477 O O . ASN Y 14 ? 1.0946 1.1558 1.1142 0.0090 -0.1169 -0.0456 15 ASN h O +41478 C CB . ASN Y 14 ? 0.8059 0.8650 0.8294 0.0015 -0.1072 -0.0432 15 ASN h CB +41479 C CG . ASN Y 14 ? 0.8602 0.9094 0.8732 0.0019 -0.1071 -0.0408 15 ASN h CG +41480 O OD1 . ASN Y 14 ? 0.8104 0.8574 0.8211 -0.0008 -0.1076 -0.0415 15 ASN h OD1 +41481 N ND2 . ASN Y 14 ? 0.7726 0.8157 0.7791 0.0053 -0.1064 -0.0380 15 ASN h ND2 +41482 N N . SER Y 15 ? 0.9214 0.9942 0.9521 0.0044 -0.1199 -0.0510 16 SER h N +41483 C CA . SER Y 15 ? 0.9939 1.0677 1.0222 0.0090 -0.1253 -0.0522 16 SER h CA +41484 C C . SER Y 15 ? 0.8711 0.9447 0.8973 0.0076 -0.1289 -0.0543 16 SER h C +41485 O O . SER Y 15 ? 1.0196 1.0924 1.0420 0.0115 -0.1335 -0.0549 16 SER h O +41486 C CB . SER Y 15 ? 0.9166 1.0003 0.9538 0.0115 -0.1275 -0.0546 16 SER h CB +41487 O OG . SER Y 15 ? 1.0230 1.1156 1.0702 0.0073 -0.1270 -0.0576 16 SER h OG +41488 N N . GLU Y 16 ? 0.8495 0.9234 0.8778 0.0024 -0.1272 -0.0553 17 GLU h N +41489 C CA . GLU Y 16 ? 0.8829 0.9562 0.9091 0.0008 -0.1305 -0.0574 17 GLU h CA +41490 C C . GLU Y 16 ? 0.9037 0.9665 0.9197 -0.0004 -0.1290 -0.0550 17 GLU h C +41491 O O . GLU Y 16 ? 0.9101 0.9717 0.9253 -0.0039 -0.1293 -0.0563 17 GLU h O +41492 C CB . GLU Y 16 ? 0.7732 0.8546 0.8089 -0.0042 -0.1302 -0.0607 17 GLU h CB +41493 C CG . GLU Y 16 ? 0.9511 1.0435 0.9971 -0.0028 -0.1323 -0.0634 17 GLU h CG +41494 C CD . GLU Y 16 ? 1.0423 1.1429 1.0977 -0.0077 -0.1325 -0.0669 17 GLU h CD +41495 O OE1 . GLU Y 16 ? 1.0796 1.1806 1.1384 -0.0123 -0.1280 -0.0666 17 GLU h OE1 +41496 O OE2 . GLU Y 16 ? 1.5478 1.6543 1.6068 -0.0070 -0.1371 -0.0701 17 GLU h OE2 +41497 N N . TYR Y 17 ? 0.8811 0.9363 0.8893 0.0026 -0.1273 -0.0516 18 TYR h N +41498 C CA . TYR Y 17 ? 0.9688 1.0140 0.9672 0.0019 -0.1258 -0.0492 18 TYR h CA +41499 C C . TYR Y 17 ? 0.9164 0.9595 0.9099 0.0027 -0.1303 -0.0509 18 TYR h C +41500 O O . TYR Y 17 ? 0.9789 1.0242 0.9716 0.0065 -0.1348 -0.0521 18 TYR h O +41501 C CB . TYR Y 17 ? 0.8604 0.8984 0.8513 0.0056 -0.1241 -0.0456 18 TYR h CB +41502 C CG . TYR Y 17 ? 1.2313 1.2593 1.2121 0.0051 -0.1226 -0.0432 18 TYR h CG +41503 C CD1 . TYR Y 17 ? 1.0892 1.1133 1.0689 0.0012 -0.1181 -0.0417 18 TYR h CD1 +41504 C CD2 . TYR Y 17 ? 1.0478 1.0703 1.0201 0.0085 -0.1258 -0.0426 18 TYR h CD2 +41505 C CE1 . TYR Y 17 ? 0.9881 1.0035 0.9589 0.0008 -0.1167 -0.0396 18 TYR h CE1 +41506 C CE2 . TYR Y 17 ? 1.0136 1.0272 0.9768 0.0080 -0.1243 -0.0405 18 TYR h CE2 +41507 C CZ . TYR Y 17 ? 1.2520 1.2623 1.2147 0.0042 -0.1198 -0.0391 18 TYR h CZ +41508 O OH . TYR Y 17 ? 1.1996 1.2013 1.1535 0.0038 -0.1183 -0.0371 18 TYR h OH +41509 N N . GLY Y 18 ? 0.8096 0.8483 0.7996 -0.0009 -0.1291 -0.0509 19 GLY h N +41510 C CA . GLY Y 18 ? 0.8062 0.8416 0.7904 -0.0004 -0.1328 -0.0522 19 GLY h CA +41511 C C . GLY Y 18 ? 0.8514 0.8942 0.8421 -0.0022 -0.1367 -0.0564 19 GLY h C +41512 O O . GLY Y 18 ? 0.8972 0.9374 0.8833 -0.0021 -0.1399 -0.0577 19 GLY h O +41513 N N . LYS Y 19 ? 0.8957 0.9479 0.8971 -0.0040 -0.1364 -0.0585 20 LYS h N +41514 C CA . LYS Y 19 ? 0.8104 0.8706 0.8188 -0.0057 -0.1403 -0.0626 20 LYS h CA +41515 C C . LYS Y 19 ? 0.9765 1.0360 0.9864 -0.0115 -0.1386 -0.0641 20 LYS h C +41516 O O . LYS Y 19 ? 0.7744 0.8333 0.7870 -0.0153 -0.1340 -0.0630 20 LYS h O +41517 C CB . LYS Y 19 ? 0.8882 0.9589 0.9077 -0.0054 -0.1404 -0.0643 20 LYS h CB +41518 C CG . LYS Y 19 ? 1.1714 1.2516 1.1999 -0.0078 -0.1437 -0.0687 20 LYS h CG +41519 C CD . LYS Y 19 ? 1.2290 1.3195 1.2672 -0.0058 -0.1450 -0.0704 20 LYS h CD +41520 C CE . LYS Y 19 ? 1.7487 1.8489 1.7956 -0.0078 -0.1489 -0.0750 20 LYS h CE +41521 N NZ . LYS Y 19 ? 1.8253 1.9226 1.8663 -0.0066 -0.1541 -0.0766 20 LYS h NZ +41522 N N . VAL Y 20 ? 0.9065 0.9657 0.9143 -0.0123 -0.1426 -0.0665 21 VAL h N +41523 C CA . VAL Y 20 ? 0.9388 0.9966 0.9472 -0.0177 -0.1413 -0.0680 21 VAL h CA +41524 C C . VAL Y 20 ? 0.8330 0.8993 0.8491 -0.0198 -0.1453 -0.0725 21 VAL h C +41525 O O . VAL Y 20 ? 1.1077 1.1794 1.1262 -0.0164 -0.1500 -0.0744 21 VAL h O +41526 C CB . VAL Y 20 ? 0.8581 0.9052 0.8550 -0.0174 -0.1414 -0.0664 21 VAL h CB +41527 C CG1 . VAL Y 20 ? 0.6981 0.7371 0.6882 -0.0163 -0.1368 -0.0621 21 VAL h CG1 +41528 C CG2 . VAL Y 20 ? 0.8845 0.9303 0.8757 -0.0131 -0.1471 -0.0675 21 VAL h CG2 +41529 N N . ALA Y 21 ? 0.7911 0.8585 0.8110 -0.0254 -0.1435 -0.0742 22 ALA h N +41530 C CA . ALA Y 21 ? 0.8813 0.9548 0.9068 -0.0283 -0.1471 -0.0784 22 ALA h CA +41531 C C . ALA Y 21 ? 1.0335 1.0999 1.0498 -0.0278 -0.1503 -0.0790 22 ALA h C +41532 O O . ALA Y 21 ? 0.9570 1.0136 0.9638 -0.0273 -0.1482 -0.0762 22 ALA h O +41533 C CB . ALA Y 21 ? 0.6234 0.7003 0.6562 -0.0347 -0.1435 -0.0798 22 ALA h CB +41534 N N . PRO Y 22 ? 1.1622 1.2336 1.1812 -0.0279 -0.1556 -0.0827 23 PRO h N +41535 C CA . PRO Y 22 ? 0.8919 0.9565 0.9016 -0.0268 -0.1591 -0.0833 23 PRO h CA +41536 C C . PRO Y 22 ? 0.7247 0.7832 0.7310 -0.0320 -0.1567 -0.0837 23 PRO h C +41537 O O . PRO Y 22 ? 0.8970 0.9598 0.9106 -0.0372 -0.1549 -0.0856 23 PRO h O +41538 C CB . PRO Y 22 ? 0.9896 1.0626 1.0048 -0.0256 -0.1654 -0.0875 23 PRO h CB +41539 C CG . PRO Y 22 ? 1.1177 1.2007 1.1429 -0.0240 -0.1654 -0.0880 23 PRO h CG +41540 C CD . PRO Y 22 ? 1.0735 1.1567 1.1033 -0.0279 -0.1590 -0.0862 23 PRO h CD +41541 N N . GLY Y 23 ? 0.8663 0.9146 0.8612 -0.0304 -0.1566 -0.0817 24 GLY h N +41542 C CA . GLY Y 23 ? 0.6886 0.7305 0.6788 -0.0344 -0.1555 -0.0824 24 GLY h CA +41543 C C . GLY Y 23 ? 0.8564 0.8956 0.8486 -0.0389 -0.1493 -0.0806 24 GLY h C +41544 O O . GLY Y 23 ? 0.9174 0.9523 0.9065 -0.0375 -0.1452 -0.0770 24 GLY h O +41545 N N . TRP Y 24 ? 0.9458 0.9873 0.9429 -0.0444 -0.1488 -0.0833 25 TRP h N +41546 C CA . TRP Y 24 ? 0.8379 0.8764 0.8363 -0.0492 -0.1434 -0.0821 25 TRP h CA +41547 C C . TRP Y 24 ? 0.7707 0.8175 0.7800 -0.0516 -0.1404 -0.0824 25 TRP h C +41548 O O . TRP Y 24 ? 0.8672 0.9112 0.8772 -0.0548 -0.1354 -0.0807 25 TRP h O +41549 C CB . TRP Y 24 ? 0.9146 0.9503 0.9120 -0.0541 -0.1441 -0.0848 25 TRP h CB +41550 C CG . TRP Y 24 ? 1.0705 1.0964 1.0564 -0.0526 -0.1455 -0.0840 25 TRP h CG +41551 C CD1 . TRP Y 24 ? 1.1411 1.1660 1.1229 -0.0512 -0.1507 -0.0864 25 TRP h CD1 +41552 C CD2 . TRP Y 24 ? 1.1526 1.1680 1.1293 -0.0523 -0.1416 -0.0807 25 TRP h CD2 +41553 N NE1 . TRP Y 24 ? 0.9910 1.0053 0.9615 -0.0500 -0.1502 -0.0848 25 TRP h NE1 +41554 C CE2 . TRP Y 24 ? 1.1233 1.1318 1.0907 -0.0507 -0.1446 -0.0813 25 TRP h CE2 +41555 C CE3 . TRP Y 24 ? 0.8881 0.8994 0.8636 -0.0531 -0.1359 -0.0774 25 TRP h CE3 +41556 C CZ2 . TRP Y 24 ? 1.0463 1.0442 1.0034 -0.0499 -0.1419 -0.0787 25 TRP h CZ2 +41557 C CZ3 . TRP Y 24 ? 0.9085 0.9094 0.8740 -0.0523 -0.1335 -0.0748 25 TRP h CZ3 +41558 C CH2 . TRP Y 24 ? 1.0294 1.0239 0.9860 -0.0507 -0.1364 -0.0754 25 TRP h CH2 +41559 N N . GLY Y 25 ? 0.9381 0.9948 0.9557 -0.0501 -0.1434 -0.0845 26 GLY h N +41560 C CA . GLY Y 25 ? 0.7298 0.7950 0.7580 -0.0521 -0.1407 -0.0849 26 GLY h CA +41561 C C . GLY Y 25 ? 0.8038 0.8688 0.8362 -0.0586 -0.1366 -0.0856 26 GLY h C +41562 O O . GLY Y 25 ? 0.8827 0.9467 0.9151 -0.0625 -0.1379 -0.0882 26 GLY h O +41563 N N . THR Y 26 ? 0.8157 0.8808 0.8509 -0.0597 -0.1315 -0.0833 27 THR h N +41564 C CA . THR Y 26 ? 0.7065 0.7715 0.7458 -0.0657 -0.1271 -0.0837 27 THR h CA +41565 C C . THR Y 26 ? 0.8770 0.9304 0.9069 -0.0677 -0.1239 -0.0815 27 THR h C +41566 O O . THR Y 26 ? 0.7713 0.8230 0.8032 -0.0721 -0.1195 -0.0810 27 THR h O +41567 C CB . THR Y 26 ? 0.8510 0.9215 0.8975 -0.0660 -0.1231 -0.0823 27 THR h CB +41568 O OG1 . THR Y 26 ? 0.8637 0.9306 0.9050 -0.0607 -0.1222 -0.0788 27 THR h OG1 +41569 C CG2 . THR Y 26 ? 0.7062 0.7891 0.7642 -0.0663 -0.1256 -0.0856 27 THR h CG2 +41570 N N . THR Y 27 ? 0.6905 0.7358 0.7102 -0.0645 -0.1257 -0.0800 28 THR h N +41571 C CA . THR Y 27 ? 0.7627 0.7972 0.7736 -0.0661 -0.1226 -0.0779 28 THR h CA +41572 C C . THR Y 27 ? 0.8024 0.8356 0.8154 -0.0723 -0.1212 -0.0801 28 THR h C +41573 O O . THR Y 27 ? 1.0958 1.1242 1.1073 -0.0751 -0.1164 -0.0782 28 THR h O +41574 C CB . THR Y 27 ? 0.7269 0.7538 0.7271 -0.0622 -0.1255 -0.0770 28 THR h CB +41575 O OG1 . THR Y 27 ? 0.8953 0.9225 0.8930 -0.0566 -0.1264 -0.0746 28 THR h OG1 +41576 C CG2 . THR Y 27 ? 0.8310 0.8471 0.8226 -0.0636 -0.1221 -0.0747 28 THR h CG2 +41577 N N . PRO Y 28 ? 0.9176 0.9546 0.9339 -0.0749 -0.1249 -0.0840 29 PRO h N +41578 C CA . PRO Y 28 ? 0.9817 1.0166 0.9995 -0.0811 -0.1230 -0.0859 29 PRO h CA +41579 C C . PRO Y 28 ? 0.8266 0.8655 0.8521 -0.0851 -0.1182 -0.0855 29 PRO h C +41580 O O . PRO Y 28 ? 0.8459 0.8788 0.8689 -0.0890 -0.1144 -0.0847 29 PRO h O +41581 C CB . PRO Y 28 ? 0.9420 0.9831 0.9644 -0.0828 -0.1283 -0.0904 29 PRO h CB +41582 C CG . PRO Y 28 ? 0.9973 1.0392 1.0158 -0.0768 -0.1331 -0.0903 29 PRO h CG +41583 C CD . PRO Y 28 ? 0.8091 0.8524 0.8281 -0.0725 -0.1309 -0.0869 29 PRO h CD +41584 N N . LEU Y 29 ? 0.8603 0.9089 0.8947 -0.0842 -0.1183 -0.0860 30 LEU h N +41585 C CA . LEU Y 29 ? 0.9255 0.9781 0.9672 -0.0876 -0.1136 -0.0855 30 LEU h CA +41586 C C . LEU Y 29 ? 0.8939 0.9388 0.9296 -0.0864 -0.1085 -0.0812 30 LEU h C +41587 O O . LEU Y 29 ? 0.8451 0.8871 0.8815 -0.0905 -0.1041 -0.0804 30 LEU h O +41588 C CB . LEU Y 29 ? 0.8183 0.8827 0.8702 -0.0859 -0.1150 -0.0869 30 LEU h CB +41589 C CG . LEU Y 29 ? 1.0468 1.1167 1.1070 -0.0891 -0.1104 -0.0866 30 LEU h CG +41590 C CD1 . LEU Y 29 ? 0.8980 0.9674 0.9614 -0.0961 -0.1082 -0.0887 30 LEU h CD1 +41591 C CD2 . LEU Y 29 ? 0.9946 1.0766 1.0648 -0.0871 -0.1126 -0.0884 30 LEU h CD2 +41592 N N . MET Y 30 ? 0.8761 0.9174 0.9057 -0.0809 -0.1092 -0.0784 31 MET h N +41593 C CA . MET Y 30 ? 0.8421 0.8759 0.8655 -0.0795 -0.1048 -0.0743 31 MET h CA +41594 C C . MET Y 30 ? 0.7113 0.7352 0.7274 -0.0826 -0.1025 -0.0735 31 MET h C +41595 O O . MET Y 30 ? 0.8095 0.8293 0.8244 -0.0847 -0.0978 -0.0715 31 MET h O +41596 C CB . MET Y 30 ? 0.7563 0.7872 0.7735 -0.0732 -0.1066 -0.0718 31 MET h CB +41597 C CG . MET Y 30 ? 0.7480 0.7716 0.7590 -0.0713 -0.1023 -0.0676 31 MET h CG +41598 S SD . MET Y 30 ? 0.7906 0.8098 0.7932 -0.0644 -0.1045 -0.0649 31 MET h SD +41599 C CE . MET Y 30 ? 0.7401 0.7491 0.7322 -0.0649 -0.1059 -0.0650 31 MET h CE +41600 N N . ALA Y 31 ? 0.8007 0.8206 0.8117 -0.0829 -0.1058 -0.0752 32 ALA h N +41601 C CA . ALA Y 31 ? 0.7166 0.7265 0.7198 -0.0853 -0.1040 -0.0746 32 ALA h CA +41602 C C . ALA Y 31 ? 0.7773 0.7873 0.7848 -0.0914 -0.1007 -0.0759 32 ALA h C +41603 O O . ALA Y 31 ? 0.8191 0.8212 0.8214 -0.0933 -0.0970 -0.0740 32 ALA h O +41604 C CB . ALA Y 31 ? 0.7983 0.8050 0.7962 -0.0846 -0.1086 -0.0768 32 ALA h CB +41605 N N . VAL Y 32 ? 0.8403 0.8592 0.8574 -0.0947 -0.1018 -0.0790 33 VAL h N +41606 C CA . VAL Y 32 ? 0.9050 0.9243 0.9266 -0.1008 -0.0985 -0.0803 33 VAL h CA +41607 C C . VAL Y 32 ? 0.8534 0.8717 0.8762 -0.1012 -0.0931 -0.0772 33 VAL h C +41608 O O . VAL Y 32 ? 0.8681 0.8802 0.8881 -0.1047 -0.0892 -0.0762 33 VAL h O +41609 C CB . VAL Y 32 ? 1.0949 1.1248 1.1270 -0.1041 -0.1010 -0.0844 33 VAL h CB +41610 C CG1 . VAL Y 32 ? 0.9118 0.9441 0.9504 -0.1100 -0.0967 -0.0852 33 VAL h CG1 +41611 C CG2 . VAL Y 32 ? 0.9886 1.0174 1.0185 -0.1053 -0.1057 -0.0876 33 VAL h CG2 +41612 N N . PHE Y 33 ? 0.9473 0.9713 0.9739 -0.0976 -0.0927 -0.0757 34 PHE h N +41613 C CA . PHE Y 33 ? 0.8739 0.8971 0.9016 -0.0977 -0.0878 -0.0728 34 PHE h CA +41614 C C . PHE Y 33 ? 0.8304 0.8426 0.8479 -0.0960 -0.0850 -0.0693 34 PHE h C +41615 O O . PHE Y 33 ? 0.8636 0.8716 0.8799 -0.0984 -0.0806 -0.0676 34 PHE h O +41616 C CB . PHE Y 33 ? 0.8865 0.9176 0.9198 -0.0938 -0.0884 -0.0720 34 PHE h CB +41617 C CG . PHE Y 33 ? 0.9422 0.9847 0.9867 -0.0960 -0.0895 -0.0751 34 PHE h CG +41618 C CD1 . PHE Y 33 ? 0.9605 1.0061 1.0113 -0.1007 -0.0856 -0.0758 34 PHE h CD1 +41619 C CD2 . PHE Y 33 ? 0.9893 1.0393 1.0381 -0.0933 -0.0943 -0.0773 34 PHE h CD2 +41620 C CE1 . PHE Y 33 ? 0.9657 1.0221 1.0272 -0.1028 -0.0864 -0.0787 34 PHE h CE1 +41621 C CE2 . PHE Y 33 ? 0.9203 0.9811 0.9797 -0.0951 -0.0953 -0.0802 34 PHE h CE2 +41622 C CZ . PHE Y 33 ? 0.9698 1.0341 1.0358 -0.0999 -0.0914 -0.0809 34 PHE h CZ +41623 N N . MET Y 34 ? 0.8681 0.8755 0.8782 -0.0916 -0.0877 -0.0681 35 MET h N +41624 C CA . MET Y 34 ? 0.7712 0.7682 0.7716 -0.0900 -0.0853 -0.0650 35 MET h CA +41625 C C . MET Y 34 ? 0.7879 0.7777 0.7844 -0.0946 -0.0834 -0.0657 35 MET h C +41626 O O . MET Y 34 ? 0.8446 0.8277 0.8367 -0.0953 -0.0795 -0.0633 35 MET h O +41627 C CB . MET Y 34 ? 0.7821 0.7754 0.7753 -0.0851 -0.0887 -0.0640 35 MET h CB +41628 C CG . MET Y 34 ? 0.8271 0.8252 0.8221 -0.0800 -0.0901 -0.0626 35 MET h CG +41629 S SD . MET Y 34 ? 0.9309 0.9236 0.9165 -0.0745 -0.0936 -0.0614 35 MET h SD +41630 C CE . MET Y 34 ? 0.9575 0.9382 0.9332 -0.0747 -0.0898 -0.0584 35 MET h CE +41631 N N . GLY Y 35 ? 0.9808 0.9719 0.9790 -0.0977 -0.0861 -0.0691 36 GLY h N +41632 C CA . GLY Y 35 ? 0.7401 0.7245 0.7349 -0.1023 -0.0844 -0.0700 36 GLY h CA +41633 C C . GLY Y 35 ? 0.7810 0.7665 0.7806 -0.1068 -0.0799 -0.0698 36 GLY h C +41634 O O . GLY Y 35 ? 0.9117 0.8891 0.9061 -0.1088 -0.0765 -0.0683 36 GLY h O +41635 N N . LEU Y 36 ? 0.6998 0.6951 0.7093 -0.1085 -0.0797 -0.0713 37 LEU h N +41636 C CA . LEU Y 36 ? 0.7435 0.7400 0.7576 -0.1126 -0.0752 -0.0709 37 LEU h CA +41637 C C . LEU Y 36 ? 0.7974 0.7889 0.8071 -0.1102 -0.0710 -0.0669 37 LEU h C +41638 O O . LEU Y 36 ? 0.8259 0.8125 0.8339 -0.1133 -0.0669 -0.0657 37 LEU h O +41639 C CB . LEU Y 36 ? 0.8171 0.8256 0.8426 -0.1141 -0.0758 -0.0731 37 LEU h CB +41640 C CG . LEU Y 36 ? 1.0824 1.0964 1.1130 -0.1169 -0.0797 -0.0774 37 LEU h CG +41641 C CD1 . LEU Y 36 ? 0.9911 1.0178 1.0329 -0.1170 -0.0810 -0.0794 37 LEU h CD1 +41642 C CD2 . LEU Y 36 ? 0.9509 0.9601 0.9806 -0.1231 -0.0776 -0.0790 37 LEU h CD2 +41643 N N . PHE Y 37 ? 0.7357 0.7283 0.7435 -0.1047 -0.0721 -0.0647 38 PHE h N +41644 C CA . PHE Y 37 ? 0.8082 0.7968 0.8124 -0.1022 -0.0686 -0.0610 38 PHE h CA +41645 C C . PHE Y 37 ? 0.7617 0.7387 0.7559 -0.1022 -0.0667 -0.0590 38 PHE h C +41646 O O . PHE Y 37 ? 0.8173 0.7897 0.8091 -0.1032 -0.0626 -0.0568 38 PHE h O +41647 C CB . PHE Y 37 ? 0.8625 0.8547 0.8667 -0.0965 -0.0705 -0.0594 38 PHE h CB +41648 C CG . PHE Y 37 ? 0.8771 0.8678 0.8801 -0.0942 -0.0669 -0.0560 38 PHE h CG +41649 C CD1 . PHE Y 37 ? 0.8174 0.8102 0.8249 -0.0971 -0.0630 -0.0555 38 PHE h CD1 +41650 C CD2 . PHE Y 37 ? 0.9545 0.9417 0.9517 -0.0892 -0.0675 -0.0533 38 PHE h CD2 +41651 C CE1 . PHE Y 37 ? 0.8586 0.8499 0.8648 -0.0950 -0.0598 -0.0525 38 PHE h CE1 +41652 C CE2 . PHE Y 37 ? 0.9081 0.8940 0.9044 -0.0872 -0.0643 -0.0503 38 PHE h CE2 +41653 C CZ . PHE Y 37 ? 0.8066 0.7946 0.8073 -0.0901 -0.0606 -0.0499 38 PHE h CZ +41654 N N . LEU Y 38 ? 0.7734 0.7456 0.7617 -0.1012 -0.0696 -0.0598 39 LEU h N +41655 C CA . LEU Y 38 ? 0.8133 0.7747 0.7922 -0.1011 -0.0681 -0.0581 39 LEU h CA +41656 C C . LEU Y 38 ? 0.8317 0.7887 0.8103 -0.1065 -0.0649 -0.0589 39 LEU h C +41657 O O . LEU Y 38 ? 0.9054 0.8545 0.8781 -0.1066 -0.0617 -0.0567 39 LEU h O +41658 C CB . LEU Y 38 ? 0.9229 0.8806 0.8961 -0.0991 -0.0720 -0.0593 39 LEU h CB +41659 C CG . LEU Y 38 ? 1.0043 0.9511 0.9671 -0.0980 -0.0712 -0.0578 39 LEU h CG +41660 C CD1 . LEU Y 38 ? 1.1769 1.1224 1.1350 -0.0940 -0.0753 -0.0582 39 LEU h CD1 +41661 C CD2 . LEU Y 38 ? 1.0012 0.9421 0.9616 -0.1028 -0.0701 -0.0594 39 LEU h CD2 +41662 N N . VAL Y 39 ? 0.9243 0.8862 0.9092 -0.1109 -0.0658 -0.0621 40 VAL h N +41663 C CA . VAL Y 39 ? 0.8904 0.8478 0.8750 -0.1164 -0.0627 -0.0629 40 VAL h CA +41664 C C . VAL Y 39 ? 0.7199 0.6786 0.7076 -0.1176 -0.0581 -0.0609 40 VAL h C +41665 O O . VAL Y 39 ? 0.7905 0.7419 0.7738 -0.1197 -0.0545 -0.0595 40 VAL h O +41666 C CB . VAL Y 39 ? 0.8426 0.8051 0.8333 -0.1211 -0.0649 -0.0670 40 VAL h CB +41667 C CG1 . VAL Y 39 ? 0.7931 0.7522 0.7848 -0.1270 -0.0613 -0.0677 40 VAL h CG1 +41668 C CG2 . VAL Y 39 ? 0.9285 0.8874 0.9142 -0.1203 -0.0691 -0.0688 40 VAL h CG2 +41669 N N . PHE Y 40 ? 0.7596 0.7274 0.7548 -0.1162 -0.0582 -0.0608 41 PHE h N +41670 C CA . PHE Y 40 ? 0.7659 0.7353 0.7638 -0.1165 -0.0540 -0.0587 41 PHE h CA +41671 C C . PHE Y 40 ? 0.7035 0.6645 0.6931 -0.1133 -0.0516 -0.0549 41 PHE h C +41672 O O . PHE Y 40 ? 0.7721 0.7279 0.7593 -0.1154 -0.0476 -0.0534 41 PHE h O +41673 C CB . PHE Y 40 ? 0.6905 0.6707 0.6966 -0.1141 -0.0553 -0.0590 41 PHE h CB +41674 C CG . PHE Y 40 ? 0.7786 0.7607 0.7873 -0.1138 -0.0513 -0.0568 41 PHE h CG +41675 C CD1 . PHE Y 40 ? 0.8705 0.8535 0.8832 -0.1185 -0.0476 -0.0574 41 PHE h CD1 +41676 C CD2 . PHE Y 40 ? 0.7785 0.7614 0.7858 -0.1088 -0.0511 -0.0542 41 PHE h CD2 +41677 C CE1 . PHE Y 40 ? 0.9310 0.9156 0.9457 -0.1182 -0.0439 -0.0554 41 PHE h CE1 +41678 C CE2 . PHE Y 40 ? 0.8800 0.8645 0.8895 -0.1085 -0.0475 -0.0522 41 PHE h CE2 +41679 C CZ . PHE Y 40 ? 0.8461 0.8315 0.8593 -0.1131 -0.0439 -0.0528 41 PHE h CZ +41680 N N . LEU Y 41 ? 0.7705 0.7298 0.7556 -0.1082 -0.0538 -0.0534 42 LEU h N +41681 C CA . LEU Y 41 ? 0.7541 0.7060 0.7318 -0.1051 -0.0516 -0.0499 42 LEU h CA +41682 C C . LEU Y 41 ? 0.8029 0.7445 0.7730 -0.1073 -0.0498 -0.0495 42 LEU h C +41683 O O . LEU Y 41 ? 0.7546 0.6905 0.7207 -0.1073 -0.0463 -0.0471 42 LEU h O +41684 C CB . LEU Y 41 ? 0.8899 0.8417 0.8639 -0.0995 -0.0545 -0.0487 42 LEU h CB +41685 C CG . LEU Y 41 ? 0.9720 0.9323 0.9516 -0.0961 -0.0560 -0.0482 42 LEU h CG +41686 C CD1 . LEU Y 41 ? 0.8571 0.8150 0.8311 -0.0910 -0.0586 -0.0469 42 LEU h CD1 +41687 C CD2 . LEU Y 41 ? 0.7800 0.7422 0.7622 -0.0957 -0.0524 -0.0460 42 LEU h CD2 +41688 N N . LEU Y 42 ? 0.7617 0.7005 0.7296 -0.1092 -0.0522 -0.0518 43 LEU h N +41689 C CA . LEU Y 42 ? 0.7153 0.6443 0.6762 -0.1117 -0.0506 -0.0517 43 LEU h CA +41690 C C . LEU Y 42 ? 0.7318 0.6590 0.6947 -0.1164 -0.0466 -0.0517 43 LEU h C +41691 O O . LEU Y 42 ? 0.7997 0.7184 0.7563 -0.1170 -0.0437 -0.0499 43 LEU h O +41692 C CB . LEU Y 42 ? 0.8326 0.7602 0.7921 -0.1134 -0.0541 -0.0547 43 LEU h CB +41693 C CG . LEU Y 42 ? 0.9184 0.8361 0.8681 -0.1117 -0.0549 -0.0540 43 LEU h CG +41694 C CD1 . LEU Y 42 ? 0.9374 0.8541 0.8828 -0.1057 -0.0559 -0.0515 43 LEU h CD1 +41695 C CD2 . LEU Y 42 ? 1.1555 1.0734 1.1051 -0.1136 -0.0586 -0.0573 43 LEU h CD2 +41696 N N . ILE Y 43 ? 0.7969 0.7320 0.7684 -0.1198 -0.0462 -0.0537 44 ILE h N +41697 C CA . ILE Y 43 ? 0.7689 0.7028 0.7426 -0.1245 -0.0422 -0.0538 44 ILE h CA +41698 C C . ILE Y 43 ? 0.8511 0.7828 0.8229 -0.1225 -0.0385 -0.0504 44 ILE h C +41699 O O . ILE Y 43 ? 0.7758 0.6996 0.7424 -0.1241 -0.0353 -0.0489 44 ILE h O +41700 C CB . ILE Y 43 ? 0.9664 0.9103 0.9505 -0.1284 -0.0428 -0.0567 44 ILE h CB +41701 C CG1 . ILE Y 43 ? 0.9643 0.9085 0.9494 -0.1316 -0.0458 -0.0602 44 ILE h CG1 +41702 C CG2 . ILE Y 43 ? 0.8236 0.7675 0.8108 -0.1326 -0.0381 -0.0563 44 ILE h CG2 +41703 C CD1 . ILE Y 43 ? 0.9232 0.8787 0.9190 -0.1344 -0.0475 -0.0634 44 ILE h CD1 +41704 N N . ILE Y 44 ? 0.7946 0.7331 0.7705 -0.1189 -0.0390 -0.0491 45 ILE h N +41705 C CA . ILE Y 44 ? 0.8086 0.7454 0.7830 -0.1171 -0.0355 -0.0461 45 ILE h CA +41706 C C . ILE Y 44 ? 0.6998 0.6270 0.6645 -0.1138 -0.0348 -0.0434 45 ILE h C +41707 O O . ILE Y 44 ? 0.8110 0.7326 0.7719 -0.1143 -0.0314 -0.0413 45 ILE h O +41708 C CB . ILE Y 44 ? 0.8218 0.7678 0.8027 -0.1141 -0.0361 -0.0455 45 ILE h CB +41709 C CG1 . ILE Y 44 ? 0.8634 0.8114 0.8427 -0.1089 -0.0399 -0.0449 45 ILE h CG1 +41710 C CG2 . ILE Y 44 ? 0.7965 0.7521 0.7871 -0.1174 -0.0365 -0.0482 45 ILE h CG2 +41711 C CD1 . ILE Y 44 ? 0.8657 0.8214 0.8502 -0.1055 -0.0401 -0.0439 45 ILE h CD1 +41712 N N . LEU Y 45 ? 0.7624 0.6872 0.7228 -0.1107 -0.0380 -0.0434 46 LEU h N +41713 C CA . LEU Y 45 ? 0.6741 0.5898 0.6254 -0.1078 -0.0373 -0.0411 46 LEU h CA +41714 C C . LEU Y 45 ? 0.8504 0.7569 0.7961 -0.1113 -0.0349 -0.0412 46 LEU h C +41715 O O . LEU Y 45 ? 0.8091 0.7090 0.7494 -0.1104 -0.0322 -0.0388 46 LEU h O +41716 C CB . LEU Y 45 ? 0.7176 0.6322 0.6652 -0.1042 -0.0410 -0.0414 46 LEU h CB +41717 C CG . LEU Y 45 ? 0.8254 0.7301 0.7634 -0.1018 -0.0404 -0.0395 46 LEU h CG +41718 C CD1 . LEU Y 45 ? 0.7704 0.6734 0.7059 -0.0983 -0.0381 -0.0362 46 LEU h CD1 +41719 C CD2 . LEU Y 45 ? 0.8128 0.7161 0.7471 -0.0991 -0.0441 -0.0404 46 LEU h CD2 +41720 N N . GLU Y 46 ? 0.8316 0.7377 0.7787 -0.1155 -0.0359 -0.0439 47 GLU h N +41721 C CA . GLU Y 46 ? 0.7575 0.6539 0.6984 -0.1186 -0.0339 -0.0441 47 GLU h CA +41722 C C . GLU Y 46 ? 0.7500 0.6451 0.6926 -0.1224 -0.0297 -0.0435 47 GLU h C +41723 O O . GLU Y 46 ? 0.7823 0.6683 0.7184 -0.1236 -0.0272 -0.0422 47 GLU h O +41724 C CB . GLU Y 46 ? 0.8710 0.7665 0.8120 -0.1217 -0.0365 -0.0473 47 GLU h CB +41725 C CG . GLU Y 46 ? 0.8177 0.7123 0.7549 -0.1178 -0.0404 -0.0476 47 GLU h CG +41726 C CD . GLU Y 46 ? 1.0003 0.8918 0.9354 -0.1204 -0.0429 -0.0505 47 GLU h CD +41727 O OE1 . GLU Y 46 ? 0.9068 0.7952 0.8422 -0.1254 -0.0414 -0.0521 47 GLU h OE1 +41728 O OE2 . GLU Y 46 ? 0.8275 0.7194 0.7605 -0.1175 -0.0463 -0.0512 47 GLU h OE2 +41729 N N . ILE Y 47 ? 0.7024 0.6062 0.6534 -0.1242 -0.0289 -0.0442 48 ILE h N +41730 C CA . ILE Y 47 ? 0.7618 0.6647 0.7142 -0.1270 -0.0246 -0.0431 48 ILE h CA +41731 C C . ILE Y 47 ? 0.7651 0.6630 0.7119 -0.1232 -0.0224 -0.0396 48 ILE h C +41732 O O . ILE Y 47 ? 0.8249 0.7151 0.7665 -0.1245 -0.0193 -0.0381 48 ILE h O +41733 C CB . ILE Y 47 ? 0.7485 0.6624 0.7112 -0.1290 -0.0242 -0.0445 48 ILE h CB +41734 C CG1 . ILE Y 47 ? 0.8109 0.7288 0.7790 -0.1339 -0.0255 -0.0481 48 ILE h CG1 +41735 C CG2 . ILE Y 47 ? 0.7217 0.6348 0.6851 -0.1305 -0.0198 -0.0428 48 ILE h CG2 +41736 C CD1 . ILE Y 47 ? 0.7856 0.7158 0.7646 -0.1351 -0.0261 -0.0499 48 ILE h CD1 +41737 N N . TYR Y 48 ? 0.8193 0.7216 0.7672 -0.1183 -0.0240 -0.0381 49 TYR h N +41738 C CA . TYR Y 48 ? 0.8073 0.7059 0.7506 -0.1145 -0.0222 -0.0349 49 TYR h CA +41739 C C . TYR Y 48 ? 0.8078 0.6956 0.7414 -0.1129 -0.0219 -0.0335 49 TYR h C +41740 O O . TYR Y 48 ? 0.7480 0.6298 0.6766 -0.1119 -0.0193 -0.0312 49 TYR h O +41741 C CB . TYR Y 48 ? 0.8139 0.7194 0.7604 -0.1097 -0.0244 -0.0340 49 TYR h CB +41742 C CG . TYR Y 48 ? 0.7478 0.6541 0.6941 -0.1068 -0.0223 -0.0312 49 TYR h CG +41743 C CD1 . TYR Y 48 ? 0.6787 0.5774 0.6188 -0.1064 -0.0194 -0.0290 49 TYR h CD1 +41744 C CD2 . TYR Y 48 ? 0.8937 0.8085 0.8457 -0.1042 -0.0234 -0.0309 49 TYR h CD2 +41745 C CE1 . TYR Y 48 ? 0.7220 0.6216 0.6620 -0.1037 -0.0176 -0.0265 49 TYR h CE1 +41746 C CE2 . TYR Y 48 ? 0.7545 0.6701 0.7063 -0.1016 -0.0215 -0.0285 49 TYR h CE2 +41747 C CZ . TYR Y 48 ? 0.8754 0.7835 0.8212 -0.1014 -0.0187 -0.0263 49 TYR h CZ +41748 O OH . TYR Y 48 ? 0.7951 0.7040 0.7407 -0.0988 -0.0170 -0.0241 49 TYR h OH +41749 N N . ASN Y 49 ? 0.7162 0.6013 0.6469 -0.1127 -0.0247 -0.0350 50 ASN h N +41750 C CA . ASN Y 49 ? 0.8154 0.6906 0.7371 -0.1111 -0.0248 -0.0341 50 ASN h CA +41751 C C . ASN Y 49 ? 0.8238 0.6906 0.7410 -0.1153 -0.0225 -0.0346 50 ASN h C +41752 O O . ASN Y 49 ? 0.7752 0.6329 0.6843 -0.1140 -0.0221 -0.0337 50 ASN h O +41753 C CB . ASN Y 49 ? 0.8190 0.6951 0.7395 -0.1091 -0.0288 -0.0356 50 ASN h CB +41754 C CG . ASN Y 49 ? 0.8936 0.7599 0.8046 -0.1067 -0.0291 -0.0345 50 ASN h CG +41755 O OD1 . ASN Y 49 ? 0.8529 0.7135 0.7602 -0.1090 -0.0297 -0.0361 50 ASN h OD1 +41756 N ND2 . ASN Y 49 ? 0.7172 0.5817 0.6246 -0.1020 -0.0288 -0.0320 50 ASN h ND2 +41757 N N . SER Y 50 ? 0.8242 0.6936 0.7463 -0.1203 -0.0208 -0.0362 51 SER h N +41758 C CA . SER Y 50 ? 0.8051 0.6668 0.7234 -0.1249 -0.0185 -0.0370 51 SER h CA +41759 C C . SER Y 50 ? 0.8569 0.7135 0.7711 -0.1261 -0.0210 -0.0391 51 SER h C +41760 O O . SER Y 50 ? 0.9120 0.7591 0.8197 -0.1281 -0.0195 -0.0391 51 SER h O +41761 C CB . SER Y 50 ? 0.8383 0.6910 0.7493 -0.1238 -0.0152 -0.0342 51 SER h CB +41762 O OG . SER Y 50 ? 0.9688 0.8249 0.8836 -0.1252 -0.0122 -0.0331 51 SER h OG +41763 N N . THR Y 51 ? 0.8836 0.7462 0.8013 -0.1248 -0.0247 -0.0409 52 THR h N +41764 C CA . THR Y 51 ? 0.9178 0.7775 0.8335 -0.1267 -0.0273 -0.0435 52 THR h CA +41765 C C . THR Y 51 ? 0.9325 0.7978 0.8555 -0.1323 -0.0276 -0.0466 52 THR h C +41766 O O . THR Y 51 ? 0.9606 0.8214 0.8814 -0.1359 -0.0282 -0.0487 52 THR h O +41767 C CB . THR Y 51 ? 0.8119 0.6746 0.7269 -0.1221 -0.0313 -0.0437 52 THR h CB +41768 O OG1 . THR Y 51 ? 0.8526 0.7075 0.7592 -0.1178 -0.0309 -0.0413 52 THR h OG1 +41769 C CG2 . THR Y 51 ? 0.9438 0.8068 0.8592 -0.1243 -0.0346 -0.0470 52 THR h CG2 +41770 N N . LEU Y 52 ? 0.8161 0.6912 0.7477 -0.1332 -0.0271 -0.0469 53 LEU h N +41771 C CA . LEU Y 52 ? 0.8622 0.7433 0.8015 -0.1387 -0.0267 -0.0496 53 LEU h CA +41772 C C . LEU Y 52 ? 0.9654 0.8461 0.9065 -0.1413 -0.0222 -0.0483 53 LEU h C +41773 O O . LEU Y 52 ? 0.9501 0.8353 0.8939 -0.1387 -0.0209 -0.0463 53 LEU h O +41774 C CB . LEU Y 52 ? 0.8493 0.7426 0.7975 -0.1375 -0.0299 -0.0514 53 LEU h CB +41775 C CG . LEU Y 52 ? 0.9676 0.8694 0.9253 -0.1425 -0.0301 -0.0544 53 LEU h CG +41776 C CD1 . LEU Y 52 ? 0.9123 0.8093 0.8686 -0.1479 -0.0302 -0.0572 53 LEU h CD1 +41777 C CD2 . LEU Y 52 ? 0.7752 0.6876 0.7399 -0.1401 -0.0340 -0.0560 53 LEU h CD2 +41778 N N . ILE Y 53 ? 0.7983 0.6731 0.7374 -0.1465 -0.0197 -0.0492 54 ILE h N +41779 C CA . ILE Y 53 ? 0.9001 0.7726 0.8394 -0.1494 -0.0151 -0.0479 54 ILE h CA +41780 C C . ILE Y 53 ? 0.9683 0.8475 0.9160 -0.1555 -0.0141 -0.0508 54 ILE h C +41781 O O . ILE Y 53 ? 1.0022 0.8788 0.9498 -0.1597 -0.0149 -0.0533 54 ILE h O +41782 C CB . ILE Y 53 ? 0.8730 0.7319 0.8020 -0.1504 -0.0125 -0.0464 54 ILE h CB +41783 C CG1 . ILE Y 53 ? 0.9397 0.7928 0.8608 -0.1443 -0.0140 -0.0440 54 ILE h CG1 +41784 C CG2 . ILE Y 53 ? 0.7854 0.6418 0.7141 -0.1529 -0.0077 -0.0447 54 ILE h CG2 +41785 C CD1 . ILE Y 53 ? 0.9431 0.7830 0.8537 -0.1444 -0.0129 -0.0430 54 ILE h CD1 +41786 N N . LEU Y 54 ? 0.9406 0.8283 0.8958 -0.1559 -0.0124 -0.0505 55 LEU h N +41787 C CA . LEU Y 54 ? 0.9065 0.8022 0.8709 -0.1612 -0.0115 -0.0532 55 LEU h CA +41788 C C . LEU Y 54 ? 1.0175 0.9099 0.9815 -0.1650 -0.0062 -0.0521 55 LEU h C +41789 O O . LEU Y 54 ? 0.9998 0.8873 0.9589 -0.1625 -0.0036 -0.0490 55 LEU h O +41790 C CB . LEU Y 54 ? 0.8394 0.7486 0.8137 -0.1589 -0.0136 -0.0541 55 LEU h CB +41791 C CG . LEU Y 54 ? 0.9283 0.8420 0.9035 -0.1544 -0.0188 -0.0549 55 LEU h CG +41792 C CD1 . LEU Y 54 ? 0.9670 0.8940 0.9525 -0.1531 -0.0205 -0.0561 55 LEU h CD1 +41793 C CD2 . LEU Y 54 ? 1.0775 0.9882 1.0510 -0.1570 -0.0217 -0.0577 55 LEU h CD2 +41794 N N . ASP Y 55 ? 1.0974 0.9926 1.0667 -0.1712 -0.0047 -0.0547 56 ASP h N +41795 C CA . ASP Y 55 ? 1.0868 0.9790 1.0562 -0.1756 0.0004 -0.0540 56 ASP h CA +41796 C C . ASP Y 55 ? 1.0473 0.9470 1.0220 -0.1736 0.0026 -0.0523 56 ASP h C +41797 O O . ASP Y 55 ? 0.9854 0.8968 0.9693 -0.1727 0.0008 -0.0537 56 ASP h O +41798 C CB . ASP Y 55 ? 1.3674 1.2628 1.3428 -0.1827 0.0013 -0.0574 56 ASP h CB +41799 C CG . ASP Y 55 ? 1.4998 1.3839 1.4677 -0.1863 0.0017 -0.0582 56 ASP h CG +41800 O OD1 . ASP Y 55 ? 1.4226 1.2953 1.3810 -0.1857 0.0045 -0.0556 56 ASP h OD1 +41801 O OD2 . ASP Y 55 ? 1.7779 1.6643 1.7491 -0.1895 -0.0008 -0.0614 56 ASP h OD2 +41802 N N . GLY Y 56 ? 0.9779 0.8704 0.9465 -0.1729 0.0065 -0.0494 57 GLY h N +41803 C CA . GLY Y 56 ? 1.0263 0.9246 0.9987 -0.1709 0.0089 -0.0476 57 GLY h CA +41804 C C . GLY Y 56 ? 1.0304 0.9345 1.0044 -0.1643 0.0059 -0.0462 57 GLY h C +41805 O O . GLY Y 56 ? 1.1888 1.1012 1.1690 -0.1630 0.0068 -0.0458 57 GLY h O +41806 N N . VAL Y 57 ? 1.0062 0.9066 0.9751 -0.1602 0.0023 -0.0456 58 VAL h N +41807 C CA . VAL Y 57 ? 0.8815 0.7854 0.8501 -0.1538 -0.0002 -0.0438 58 VAL h CA +41808 C C . VAL Y 57 ? 0.8583 0.7509 0.8160 -0.1504 0.0006 -0.0408 58 VAL h C +41809 O O . VAL Y 57 ? 0.8579 0.7439 0.8094 -0.1490 -0.0016 -0.0408 58 VAL h O +41810 C CB . VAL Y 57 ? 0.9103 0.8206 0.8829 -0.1515 -0.0053 -0.0458 58 VAL h CB +41811 C CG1 . VAL Y 57 ? 0.8380 0.7509 0.8094 -0.1449 -0.0076 -0.0438 58 VAL h CG1 +41812 C CG2 . VAL Y 57 ? 0.8013 0.7233 0.7851 -0.1549 -0.0061 -0.0490 58 VAL h CG2 +41813 N N . ASN Y 58 ? 0.8247 0.7150 0.7799 -0.1489 0.0038 -0.0382 59 ASN h N +41814 C CA . ASN Y 58 ? 0.9228 0.8028 0.8681 -0.1457 0.0051 -0.0351 59 ASN h CA +41815 C C . ASN Y 58 ? 1.0033 0.8871 0.9486 -0.1393 0.0027 -0.0333 59 ASN h C +41816 O O . ASN Y 58 ? 0.8952 0.7845 0.8441 -0.1375 0.0038 -0.0321 59 ASN h O +41817 C CB . ASN Y 58 ? 0.9169 0.7921 0.8594 -0.1481 0.0099 -0.0335 59 ASN h CB +41818 C CG . ASN Y 58 ? 1.1658 1.0296 1.0976 -0.1452 0.0112 -0.0305 59 ASN h CG +41819 O OD1 . ASN Y 58 ? 1.2504 1.1075 1.1759 -0.1435 0.0093 -0.0302 59 ASN h OD1 +41820 N ND2 . ASN Y 58 ? 1.2677 1.1295 1.1975 -0.1446 0.0145 -0.0283 59 ASN h ND2 +41821 N N . VAL Y 59 ? 1.0433 0.9239 0.9843 -0.1360 -0.0006 -0.0331 60 VAL h N +41822 C CA . VAL Y 59 ? 0.8561 0.7403 0.7971 -0.1301 -0.0031 -0.0316 60 VAL h CA +41823 C C . VAL Y 59 ? 0.8611 0.7376 0.7944 -0.1269 -0.0011 -0.0284 60 VAL h C +41824 O O . VAL Y 59 ? 0.8677 0.7369 0.7937 -0.1243 -0.0022 -0.0272 60 VAL h O +41825 C CB . VAL Y 59 ? 0.8624 0.7468 0.8023 -0.1280 -0.0073 -0.0328 60 VAL h CB +41826 C CG1 . VAL Y 59 ? 0.8851 0.7723 0.8242 -0.1220 -0.0096 -0.0311 60 VAL h CG1 +41827 C CG2 . VAL Y 59 ? 0.8338 0.7266 0.7820 -0.1312 -0.0093 -0.0361 60 VAL h CG2 +41828 N N . SER Y 60 ? 0.9451 0.8236 0.8801 -0.1271 0.0018 -0.0270 61 SER h N +41829 C CA . SER Y 60 ? 0.8580 0.7296 0.7862 -0.1245 0.0041 -0.0240 61 SER h CA +41830 C C . SER Y 60 ? 0.9944 0.8726 0.9276 -0.1237 0.0059 -0.0230 61 SER h C +41831 O O . SER Y 60 ? 0.8243 0.7105 0.7653 -0.1262 0.0064 -0.0247 61 SER h O +41832 C CB . SER Y 60 ? 0.8360 0.6972 0.7573 -0.1279 0.0072 -0.0235 61 SER h CB +41833 O OG . SER Y 60 ? 1.1660 1.0216 1.0817 -0.1257 0.0096 -0.0208 61 SER h OG +41834 N N . TRP Y 61 ? 0.8613 0.7360 0.7897 -0.1200 0.0069 -0.0203 62 TRP h N +41835 C CA . TRP Y 61 ? 0.8327 0.7119 0.7645 -0.1194 0.0091 -0.0192 62 TRP h CA +41836 C C . TRP Y 61 ? 1.1006 0.9789 1.0339 -0.1246 0.0129 -0.0200 62 TRP h C +41837 O O . TRP Y 61 ? 0.8882 0.7737 0.8280 -0.1257 0.0144 -0.0205 62 TRP h O +41838 C CB . TRP Y 61 ? 0.9663 0.8400 0.8915 -0.1153 0.0100 -0.0162 62 TRP h CB +41839 C CG . TRP Y 61 ? 0.8308 0.7059 0.7548 -0.1101 0.0067 -0.0153 62 TRP h CG +41840 C CD1 . TRP Y 61 ? 0.8782 0.7466 0.7955 -0.1075 0.0051 -0.0143 62 TRP h CD1 +41841 C CD2 . TRP Y 61 ? 0.8621 0.7458 0.7917 -0.1069 0.0048 -0.0151 62 TRP h CD2 +41842 N NE1 . TRP Y 61 ? 0.9053 0.7779 0.8239 -0.1030 0.0024 -0.0136 62 TRP h NE1 +41843 C CE2 . TRP Y 61 ? 0.9523 0.8340 0.8782 -0.1026 0.0022 -0.0141 62 TRP h CE2 +41844 C CE3 . TRP Y 61 ? 0.8164 0.7091 0.7535 -0.1073 0.0052 -0.0158 62 TRP h CE3 +41845 C CZ2 . TRP Y 61 ? 0.7823 0.6704 0.7117 -0.0988 0.0000 -0.0136 62 TRP h CZ2 +41846 C CZ3 . TRP Y 61 ? 0.8567 0.7556 0.7973 -0.1035 0.0029 -0.0154 62 TRP h CZ3 +41847 C CH2 . TRP Y 61 ? 0.8165 0.7130 0.7531 -0.0993 0.0003 -0.0143 62 TRP h CH2 +41848 N N . LYS Y 62 ? 0.9151 0.7847 0.8428 -0.1278 0.0146 -0.0201 63 LYS h N +41849 C CA . LYS Y 62 ? 1.1900 1.0574 1.1182 -0.1330 0.0184 -0.0208 63 LYS h CA +41850 C C . LYS Y 62 ? 1.0727 0.9486 1.0100 -0.1373 0.0181 -0.0239 63 LYS h C +41851 O O . LYS Y 62 ? 1.6020 1.4752 1.5396 -0.1424 0.0204 -0.0251 63 LYS h O +41852 C CB . LYS Y 62 ? 1.1509 1.0060 1.0700 -0.1351 0.0200 -0.0202 63 LYS h CB +41853 C CG . LYS Y 62 ? 1.2033 1.0497 1.1133 -0.1312 0.0208 -0.0172 63 LYS h CG +41854 C CD . LYS Y 62 ? 1.4836 1.3178 1.3848 -0.1338 0.0232 -0.0166 63 LYS h CD +41855 C CE . LYS Y 62 ? 1.3440 1.1764 1.2454 -0.1384 0.0277 -0.0165 63 LYS h CE +41856 N NZ . LYS Y 62 ? 1.6087 1.4285 1.5009 -0.1407 0.0301 -0.0157 63 LYS h NZ +41857 N N . ALA Y 63 ? 1.4272 1.3131 1.3720 -0.1353 0.0151 -0.0251 64 ALA h N +41858 C CA . ALA Y 63 ? 1.5654 1.4614 1.5201 -0.1385 0.0150 -0.0277 64 ALA h CA +41859 C C . ALA Y 63 ? 1.6588 1.5634 1.6196 -0.1365 0.0158 -0.0272 64 ALA h C +41860 O O . ALA Y 63 ? 1.4914 1.4061 1.4608 -0.1367 0.0142 -0.0291 64 ALA h O +41861 C CB . ALA Y 63 ? 1.2681 1.1690 1.2269 -0.1381 0.0107 -0.0300 64 ALA h CB +41862 N N . LEU Y 64 ? 1.5689 1.4694 1.5251 -0.1345 0.0183 -0.0246 65 LEU h N +41863 C CA . LEU Y 64 ? 1.6039 1.5114 1.5646 -0.1320 0.0191 -0.0238 65 LEU h CA +41864 C C . LEU Y 64 ? 1.5534 1.4605 1.5150 -0.1353 0.0238 -0.0234 65 LEU h C +41865 O O . LEU Y 64 ? 1.5878 1.4882 1.5455 -0.1394 0.0267 -0.0235 65 LEU h O +41866 C CB . LEU Y 64 ? 1.4282 1.3323 1.3833 -0.1263 0.0177 -0.0211 65 LEU h CB +41867 C CG . LEU Y 64 ? 1.3843 1.2954 1.3433 -0.1215 0.0140 -0.0210 65 LEU h CG +41868 C CD1 . LEU Y 64 ? 1.2992 1.2130 1.2606 -0.1213 0.0101 -0.0229 65 LEU h CD1 +41869 C CD2 . LEU Y 64 ? 1.2420 1.1480 1.1943 -0.1166 0.0133 -0.0182 65 LEU h CD2 +41870 N N . FME Z 1 ? 0.9048 0.9429 0.8931 0.0299 0.0113 0.0060 1 FME i N +41871 C CN . FME Z 1 ? 1.1368 1.1775 1.1283 0.0258 0.0129 0.0065 1 FME i CN +41872 O O1 . FME Z 1 ? 0.9766 1.0138 0.9650 0.0237 0.0152 0.0074 1 FME i O1 +41873 C CA . FME Z 1 ? 0.8566 0.8876 0.8377 0.0319 0.0122 0.0065 1 FME i CA +41874 C CB . FME Z 1 ? 0.6791 0.7067 0.6567 0.0362 0.0096 0.0060 1 FME i CB +41875 C CG . FME Z 1 ? 0.8587 0.8813 0.8334 0.0353 0.0062 0.0066 1 FME i CG +41876 S SD . FME Z 1 ? 0.8991 0.9132 0.8675 0.0315 0.0065 0.0082 1 FME i SD +41877 C CE . FME Z 1 ? 0.8044 0.8134 0.7696 0.0318 0.0025 0.0085 1 FME i CE +41878 C C . FME Z 1 ? 0.8632 0.8971 0.8452 0.0330 0.0158 0.0061 1 FME i C +41879 O O . FME Z 1 ? 0.8836 0.9118 0.8599 0.0328 0.0175 0.0068 1 FME i O +41880 N N . GLU Z 2 ? 0.9576 1.0001 0.9464 0.0342 0.0170 0.0049 2 GLU i N +41881 C CA . GLU Z 2 ? 0.9994 1.0453 0.9895 0.0354 0.0207 0.0044 2 GLU i CA +41882 C C . GLU Z 2 ? 1.0168 1.0627 1.0072 0.0311 0.0237 0.0054 2 GLU i C +41883 O O . GLU Z 2 ? 0.8238 0.8671 0.8106 0.0313 0.0266 0.0058 2 GLU i O +41884 C CB . GLU Z 2 ? 1.0363 1.0921 1.0342 0.0378 0.0211 0.0028 2 GLU i CB +41885 C CG . GLU Z 2 ? 1.1066 1.1658 1.1055 0.0401 0.0248 0.0021 2 GLU i CG +41886 C CD . GLU Z 2 ? 1.6095 1.6635 1.6023 0.0450 0.0243 0.0017 2 GLU i CD +41887 O OE1 . GLU Z 2 ? 1.5037 1.5535 1.4934 0.0471 0.0209 0.0017 2 GLU i OE1 +41888 O OE2 . GLU Z 2 ? 1.7907 1.8447 1.7819 0.0466 0.0274 0.0015 2 GLU i OE2 +41889 N N . THR Z 3 ? 0.8378 0.8862 0.8321 0.0272 0.0230 0.0058 3 THR i N +41890 C CA . THR Z 3 ? 0.8405 0.8879 0.8345 0.0230 0.0256 0.0068 3 THR i CA +41891 C C . THR Z 3 ? 0.9610 0.9986 0.9464 0.0221 0.0255 0.0082 3 THR i C +41892 O O . THR Z 3 ? 0.9626 0.9979 0.9451 0.0207 0.0284 0.0089 3 THR i O +41893 C CB . THR Z 3 ? 0.8899 0.9411 0.8892 0.0192 0.0244 0.0069 3 THR i CB +41894 O OG1 . THR Z 3 ? 1.0112 1.0723 1.0190 0.0196 0.0250 0.0055 3 THR i OG1 +41895 C CG2 . THR Z 3 ? 0.8875 0.9363 0.8854 0.0148 0.0267 0.0081 3 THR i CG2 +41896 N N . LEU Z 4 ? 0.8892 0.9209 0.8703 0.0227 0.0222 0.0086 4 LEU i N +41897 C CA . LEU Z 4 ? 0.8824 0.9049 0.8555 0.0220 0.0218 0.0098 4 LEU i CA +41898 C C . LEU Z 4 ? 0.8429 0.8623 0.8112 0.0248 0.0239 0.0097 4 LEU i C +41899 O O . LEU Z 4 ? 0.7737 0.7884 0.7373 0.0234 0.0257 0.0106 4 LEU i O +41900 C CB . LEU Z 4 ? 0.8732 0.8906 0.8429 0.0228 0.0180 0.0100 4 LEU i CB +41901 C CG . LEU Z 4 ? 0.7630 0.7712 0.7248 0.0222 0.0175 0.0111 4 LEU i CG +41902 C CD1 . LEU Z 4 ? 0.7304 0.7369 0.6917 0.0179 0.0183 0.0123 4 LEU i CD1 +41903 C CD2 . LEU Z 4 ? 0.8198 0.8233 0.7784 0.0235 0.0140 0.0111 4 LEU i CD2 +41904 N N . LYS Z 5 ? 0.7154 0.7371 0.6845 0.0288 0.0237 0.0086 5 LYS i N +41905 C CA . LYS Z 5 ? 0.7442 0.7626 0.7085 0.0318 0.0255 0.0083 5 LYS i CA +41906 C C . LYS Z 5 ? 0.9231 0.9445 0.8887 0.0307 0.0297 0.0084 5 LYS i C +41907 O O . LYS Z 5 ? 0.8357 0.8518 0.7954 0.0308 0.0314 0.0090 5 LYS i O +41908 C CB . LYS Z 5 ? 0.7840 0.8054 0.7501 0.0364 0.0244 0.0070 5 LYS i CB +41909 C CG . LYS Z 5 ? 0.7946 0.8128 0.7559 0.0400 0.0262 0.0065 5 LYS i CG +41910 C CD . LYS Z 5 ? 0.7454 0.7677 0.7094 0.0445 0.0253 0.0051 5 LYS i CD +41911 C CE . LYS Z 5 ? 0.9855 1.0044 0.9445 0.0482 0.0272 0.0046 5 LYS i CE +41912 N NZ . LYS Z 5 ? 1.2809 1.3041 1.2427 0.0529 0.0266 0.0032 5 LYS i NZ +41913 N N . ILE Z 6 ? 0.8222 0.8522 0.7954 0.0295 0.0314 0.0078 6 ILE i N +41914 C CA . ILE Z 6 ? 0.8221 0.8553 0.7969 0.0280 0.0356 0.0080 6 ILE i CA +41915 C C . ILE Z 6 ? 0.8176 0.8453 0.7882 0.0241 0.0366 0.0095 6 ILE i C +41916 O O . ILE Z 6 ? 0.9237 0.9483 0.8900 0.0239 0.0394 0.0100 6 ILE i O +41917 C CB . ILE Z 6 ? 0.9308 0.9744 0.9151 0.0270 0.0370 0.0070 6 ILE i CB +41918 C CG1 . ILE Z 6 ? 0.9675 1.0169 0.9562 0.0312 0.0358 0.0054 6 ILE i CG1 +41919 C CG2 . ILE Z 6 ? 0.8753 0.9220 0.8611 0.0252 0.0416 0.0072 6 ILE i CG2 +41920 C CD1 . ILE Z 6 ? 1.1918 1.2405 1.1776 0.0352 0.0380 0.0047 6 ILE i CD1 +41921 N N . THR Z 7 ? 0.8175 0.8438 0.7889 0.0211 0.0342 0.0102 7 THR i N +41922 C CA . THR Z 7 ? 0.6581 0.6793 0.6257 0.0174 0.0348 0.0116 7 THR i CA +41923 C C . THR Z 7 ? 0.6989 0.7112 0.6576 0.0185 0.0346 0.0124 7 THR i C +41924 O O . THR Z 7 ? 0.8719 0.8808 0.8268 0.0169 0.0369 0.0132 7 THR i O +41925 C CB . THR Z 7 ? 0.8454 0.8665 0.8154 0.0147 0.0319 0.0121 7 THR i CB +41926 O OG1 . THR Z 7 ? 0.8871 0.9165 0.8653 0.0132 0.0325 0.0114 7 THR i OG1 +41927 C CG2 . THR Z 7 ? 0.7075 0.7229 0.6732 0.0112 0.0322 0.0136 7 THR i CG2 +41928 N N . VAL Z 8 ? 0.7733 0.7814 0.7283 0.0213 0.0319 0.0120 8 VAL i N +41929 C CA . VAL Z 8 ? 0.6652 0.6647 0.6118 0.0221 0.0314 0.0126 8 VAL i CA +41930 C C . VAL Z 8 ? 0.7444 0.7433 0.6879 0.0245 0.0345 0.0122 8 VAL i C +41931 O O . VAL Z 8 ? 0.7744 0.7677 0.7119 0.0240 0.0357 0.0129 8 VAL i O +41932 C CB . VAL Z 8 ? 0.6333 0.6284 0.5769 0.0241 0.0277 0.0123 8 VAL i CB +41933 C CG1 . VAL Z 8 ? 0.6051 0.5921 0.5404 0.0257 0.0274 0.0125 8 VAL i CG1 +41934 C CG2 . VAL Z 8 ? 0.7086 0.7029 0.6539 0.0213 0.0248 0.0129 8 VAL i CG2 +41935 N N . TYR Z 9 ? 0.6908 0.6954 0.6383 0.0274 0.0357 0.0110 9 TYR i N +41936 C CA . TYR Z 9 ? 0.6915 0.6959 0.6364 0.0297 0.0389 0.0105 9 TYR i CA +41937 C C . TYR Z 9 ? 0.6650 0.6704 0.6098 0.0269 0.0426 0.0113 9 TYR i C +41938 O O . TYR Z 9 ? 0.7921 0.7926 0.7308 0.0275 0.0445 0.0117 9 TYR i O +41939 C CB . TYR Z 9 ? 0.7268 0.7385 0.6773 0.0331 0.0397 0.0091 9 TYR i CB +41940 C CG . TYR Z 9 ? 0.7395 0.7477 0.6866 0.0372 0.0373 0.0083 9 TYR i CG +41941 C CD1 . TYR Z 9 ? 0.8896 0.8945 0.8356 0.0372 0.0334 0.0084 9 TYR i CD1 +41942 C CD2 . TYR Z 9 ? 1.0164 1.0243 0.9612 0.0410 0.0391 0.0074 9 TYR i CD2 +41943 C CE1 . TYR Z 9 ? 0.8516 0.8528 0.7941 0.0408 0.0312 0.0078 9 TYR i CE1 +41944 C CE2 . TYR Z 9 ? 1.1828 1.1870 1.1241 0.0448 0.0369 0.0066 9 TYR i CE2 +41945 C CZ . TYR Z 9 ? 1.0553 1.0561 0.9955 0.0446 0.0329 0.0069 9 TYR i CZ +41946 O OH . TYR Z 9 ? 1.0609 1.0574 0.9973 0.0482 0.0308 0.0062 9 TYR i OH +41947 N N . ILE Z 10 ? 0.7124 0.7235 0.6634 0.0238 0.0435 0.0116 10 ILE i N +41948 C CA . ILE Z 10 ? 0.7466 0.7585 0.6977 0.0210 0.0471 0.0124 10 ILE i CA +41949 C C . ILE Z 10 ? 0.8588 0.8625 0.8028 0.0186 0.0464 0.0139 10 ILE i C +41950 O O . ILE Z 10 ? 0.8645 0.8647 0.8037 0.0182 0.0491 0.0145 10 ILE i O +41951 C CB . ILE Z 10 ? 0.8297 0.8497 0.7894 0.0181 0.0480 0.0123 10 ILE i CB +41952 C CG1 . ILE Z 10 ? 0.8184 0.8471 0.7849 0.0204 0.0498 0.0108 10 ILE i CG1 +41953 C CG2 . ILE Z 10 ? 0.7675 0.7864 0.7262 0.0143 0.0509 0.0135 10 ILE i CG2 +41954 C CD1 . ILE Z 10 ? 0.8555 0.8926 0.8311 0.0178 0.0500 0.0104 10 ILE i CD1 +41955 N N . VAL Z 11 ? 0.8567 0.8570 0.7998 0.0173 0.0428 0.0144 11 VAL i N +41956 C CA . VAL Z 11 ? 0.7974 0.7901 0.7341 0.0152 0.0418 0.0157 11 VAL i CA +41957 C C . VAL Z 11 ? 0.7817 0.7673 0.7102 0.0176 0.0418 0.0157 11 VAL i C +41958 O O . VAL Z 11 ? 0.7591 0.7400 0.6821 0.0166 0.0433 0.0165 11 VAL i O +41959 C CB . VAL Z 11 ? 0.8951 0.8860 0.8327 0.0136 0.0378 0.0160 11 VAL i CB +41960 C CG1 . VAL Z 11 ? 0.8008 0.7832 0.7310 0.0127 0.0361 0.0170 11 VAL i CG1 +41961 C CG2 . VAL Z 11 ? 0.7242 0.7202 0.6682 0.0101 0.0381 0.0164 11 VAL i CG2 +41962 N N . VAL Z 12 ? 0.7448 0.7296 0.6721 0.0210 0.0401 0.0147 12 VAL i N +41963 C CA . VAL Z 12 ? 0.8132 0.7910 0.7327 0.0233 0.0399 0.0145 12 VAL i CA +41964 C C . VAL Z 12 ? 0.9001 0.8782 0.8171 0.0245 0.0440 0.0144 12 VAL i C +41965 O O . VAL Z 12 ? 0.8182 0.7901 0.7281 0.0247 0.0447 0.0148 12 VAL i O +41966 C CB . VAL Z 12 ? 0.7663 0.7432 0.6852 0.0267 0.0374 0.0134 12 VAL i CB +41967 C CG1 . VAL Z 12 ? 0.7419 0.7120 0.6529 0.0293 0.0375 0.0131 12 VAL i CG1 +41968 C CG2 . VAL Z 12 ? 0.7207 0.6958 0.6406 0.0255 0.0334 0.0137 12 VAL i CG2 +41969 N N . THR Z 13 ? 0.7985 0.7840 0.7213 0.0253 0.0467 0.0137 13 THR i N +41970 C CA . THR Z 13 ? 0.8448 0.8309 0.7654 0.0265 0.0508 0.0135 13 THR i CA +41971 C C . THR Z 13 ? 0.7921 0.7760 0.7101 0.0232 0.0532 0.0149 13 THR i C +41972 O O . THR Z 13 ? 0.7635 0.7425 0.6749 0.0239 0.0552 0.0152 13 THR i O +41973 C CB . THR Z 13 ? 0.8708 0.8659 0.7989 0.0279 0.0532 0.0125 13 THR i CB +41974 O OG1 . THR Z 13 ? 0.8018 0.7982 0.7314 0.0315 0.0509 0.0112 13 THR i OG1 +41975 C CG2 . THR Z 13 ? 0.8429 0.8390 0.7691 0.0290 0.0578 0.0123 13 THR i CG2 +41976 N N . PHE Z 14 ? 0.7656 0.7525 0.6882 0.0197 0.0530 0.0156 14 PHE i N +41977 C CA . PHE Z 14 ? 0.7990 0.7833 0.7191 0.0164 0.0548 0.0170 14 PHE i CA +41978 C C . PHE Z 14 ? 0.9469 0.9218 0.8578 0.0164 0.0533 0.0178 14 PHE i C +41979 O O . PHE Z 14 ? 0.9295 0.9007 0.8349 0.0164 0.0559 0.0184 14 PHE i O +41980 C CB . PHE Z 14 ? 0.7659 0.7537 0.6919 0.0129 0.0535 0.0176 14 PHE i CB +41981 C CG . PHE Z 14 ? 0.9673 0.9515 0.8903 0.0094 0.0547 0.0191 14 PHE i CG +41982 C CD1 . PHE Z 14 ? 0.9932 0.9794 0.9166 0.0079 0.0591 0.0196 14 PHE i CD1 +41983 C CD2 . PHE Z 14 ? 0.9329 0.9117 0.8527 0.0077 0.0516 0.0200 14 PHE i CD2 +41984 C CE1 . PHE Z 14 ? 0.9581 0.9404 0.8783 0.0048 0.0602 0.0210 14 PHE i CE1 +41985 C CE2 . PHE Z 14 ? 0.9291 0.9044 0.8459 0.0047 0.0526 0.0214 14 PHE i CE2 +41986 C CZ . PHE Z 14 ? 1.0619 1.0387 0.9787 0.0033 0.0569 0.0219 14 PHE i CZ +41987 N N . PHE Z 15 ? 0.8561 0.8272 0.7652 0.0165 0.0492 0.0179 15 PHE i N +41988 C CA . PHE Z 15 ? 0.8363 0.7989 0.7372 0.0163 0.0475 0.0185 15 PHE i CA +41989 C C . PHE Z 15 ? 0.8546 0.8127 0.7489 0.0194 0.0484 0.0179 15 PHE i C +41990 O O . PHE Z 15 ? 0.8292 0.7812 0.7164 0.0191 0.0488 0.0185 15 PHE i O +41991 C CB . PHE Z 15 ? 0.6967 0.6568 0.5979 0.0157 0.0429 0.0185 15 PHE i CB +41992 C CG . PHE Z 15 ? 0.8073 0.7687 0.7119 0.0122 0.0418 0.0195 15 PHE i CG +41993 C CD1 . PHE Z 15 ? 0.7478 0.7045 0.6480 0.0100 0.0420 0.0207 15 PHE i CD1 +41994 C CD2 . PHE Z 15 ? 0.8332 0.8003 0.7451 0.0112 0.0406 0.0192 15 PHE i CD2 +41995 C CE1 . PHE Z 15 ? 0.8213 0.7789 0.7243 0.0069 0.0411 0.0216 15 PHE i CE1 +41996 C CE2 . PHE Z 15 ? 0.8255 0.7936 0.7404 0.0080 0.0396 0.0201 15 PHE i CE2 +41997 C CZ . PHE Z 15 ? 0.7596 0.7228 0.6700 0.0059 0.0399 0.0213 15 PHE i CZ +41998 N N . VAL Z 16 ? 0.7578 0.7186 0.6538 0.0225 0.0487 0.0166 16 VAL i N +41999 C CA . VAL Z 16 ? 0.7846 0.7409 0.6740 0.0256 0.0496 0.0160 16 VAL i CA +42000 C C . VAL Z 16 ? 0.9108 0.8677 0.7980 0.0256 0.0542 0.0163 16 VAL i C +42001 O O . VAL Z 16 ? 0.8199 0.7708 0.6995 0.0267 0.0551 0.0164 16 VAL i O +42002 C CB . VAL Z 16 ? 0.8134 0.7724 0.7053 0.0291 0.0487 0.0145 16 VAL i CB +42003 C CG1 . VAL Z 16 ? 0.9235 0.8782 0.8088 0.0324 0.0502 0.0137 16 VAL i CG1 +42004 C CG2 . VAL Z 16 ? 0.9626 0.9191 0.8547 0.0292 0.0442 0.0143 16 VAL i CG2 +42005 N N . LEU Z 17 ? 0.7317 0.6957 0.6254 0.0244 0.0572 0.0164 17 LEU i N +42006 C CA . LEU Z 17 ? 0.8517 0.8163 0.7435 0.0239 0.0617 0.0169 17 LEU i CA +42007 C C . LEU Z 17 ? 0.8736 0.8320 0.7592 0.0214 0.0619 0.0183 17 LEU i C +42008 O O . LEU Z 17 ? 0.8537 0.8076 0.7326 0.0222 0.0643 0.0186 17 LEU i O +42009 C CB . LEU Z 17 ? 0.8715 0.8452 0.7721 0.0224 0.0647 0.0168 17 LEU i CB +42010 C CG . LEU Z 17 ? 0.9362 0.9171 0.8431 0.0252 0.0655 0.0152 17 LEU i CG +42011 C CD1 . LEU Z 17 ? 0.8999 0.8899 0.8157 0.0232 0.0683 0.0152 17 LEU i CD1 +42012 C CD2 . LEU Z 17 ? 0.8591 0.8379 0.7611 0.0288 0.0678 0.0144 17 LEU i CD2 +42013 N N . LEU Z 18 ? 0.7988 0.7564 0.6861 0.0185 0.0594 0.0192 18 LEU i N +42014 C CA . LEU Z 18 ? 0.8668 0.8182 0.7482 0.0162 0.0592 0.0206 18 LEU i CA +42015 C C . LEU Z 18 ? 0.8181 0.7613 0.6904 0.0181 0.0574 0.0205 18 LEU i C +42016 O O . LEU Z 18 ? 0.8257 0.7639 0.6913 0.0179 0.0591 0.0212 18 LEU i O +42017 C CB . LEU Z 18 ? 0.7976 0.7495 0.6825 0.0132 0.0563 0.0214 18 LEU i CB +42018 C CG . LEU Z 18 ? 0.7993 0.7576 0.6918 0.0102 0.0579 0.0220 18 LEU i CG +42019 C CD1 . LEU Z 18 ? 0.8562 0.8135 0.7508 0.0078 0.0543 0.0226 18 LEU i CD1 +42020 C CD2 . LEU Z 18 ? 0.9783 0.9360 0.8686 0.0084 0.0622 0.0230 18 LEU i CD2 +42021 N N . PHE Z 19 ? 0.8561 0.7977 0.7279 0.0200 0.0540 0.0195 19 PHE i N +42022 C CA . PHE Z 19 ? 0.8060 0.7401 0.6696 0.0219 0.0520 0.0192 19 PHE i CA +42023 C C . PHE Z 19 ? 0.8437 0.7759 0.7021 0.0244 0.0554 0.0187 19 PHE i C +42024 O O . PHE Z 19 ? 0.8997 0.8255 0.7502 0.0246 0.0558 0.0191 19 PHE i O +42025 C CB . PHE Z 19 ? 0.7390 0.6727 0.6040 0.0236 0.0482 0.0181 19 PHE i CB +42026 C CG . PHE Z 19 ? 0.7103 0.6364 0.5674 0.0254 0.0460 0.0175 19 PHE i CG +42027 C CD1 . PHE Z 19 ? 0.8230 0.7438 0.6762 0.0238 0.0428 0.0180 19 PHE i CD1 +42028 C CD2 . PHE Z 19 ? 0.7376 0.6620 0.5912 0.0286 0.0470 0.0163 19 PHE i CD2 +42029 C CE1 . PHE Z 19 ? 0.6929 0.6070 0.5390 0.0253 0.0406 0.0174 19 PHE i CE1 +42030 C CE2 . PHE Z 19 ? 0.8861 0.8034 0.7322 0.0302 0.0449 0.0157 19 PHE i CE2 +42031 C CZ . PHE Z 19 ? 0.8615 0.7737 0.7040 0.0284 0.0417 0.0162 19 PHE i CZ +42032 N N . VAL Z 20 ? 0.7942 0.7318 0.6567 0.0263 0.0578 0.0177 20 VAL i N +42033 C CA . VAL Z 20 ? 0.7627 0.6987 0.6206 0.0291 0.0610 0.0171 20 VAL i CA +42034 C C . VAL Z 20 ? 0.8630 0.7983 0.7179 0.0276 0.0650 0.0181 20 VAL i C +42035 O O . VAL Z 20 ? 0.8010 0.7302 0.6477 0.0287 0.0662 0.0183 20 VAL i O +42036 C CB . VAL Z 20 ? 0.8543 0.7970 0.7182 0.0317 0.0625 0.0157 20 VAL i CB +42037 C CG1 . VAL Z 20 ? 0.7972 0.7398 0.6577 0.0341 0.0667 0.0152 20 VAL i CG1 +42038 C CG2 . VAL Z 20 ? 0.8856 0.8269 0.7499 0.0339 0.0585 0.0146 20 VAL i CG2 +42039 N N . PHE Z 21 ? 0.7664 0.7074 0.6276 0.0251 0.0673 0.0189 21 PHE i N +42040 C CA . PHE Z 21 ? 0.8468 0.7869 0.7051 0.0234 0.0714 0.0200 21 PHE i CA +42041 C C . PHE Z 21 ? 0.9259 0.8586 0.7772 0.0215 0.0698 0.0213 21 PHE i C +42042 O O . PHE Z 21 ? 0.8908 0.8192 0.7355 0.0214 0.0724 0.0221 21 PHE i O +42043 C CB . PHE Z 21 ? 0.7748 0.7232 0.6419 0.0210 0.0742 0.0204 21 PHE i CB +42044 C CG . PHE Z 21 ? 1.1423 1.0979 1.0151 0.0232 0.0771 0.0191 21 PHE i CG +42045 C CD1 . PHE Z 21 ? 1.1918 1.1478 1.0618 0.0244 0.0818 0.0190 21 PHE i CD1 +42046 C CD2 . PHE Z 21 ? 1.1893 1.1510 1.0698 0.0242 0.0751 0.0180 21 PHE i CD2 +42047 C CE1 . PHE Z 21 ? 1.3985 1.3614 1.2739 0.0266 0.0845 0.0177 21 PHE i CE1 +42048 C CE2 . PHE Z 21 ? 1.1927 1.1611 1.0784 0.0265 0.0776 0.0167 21 PHE i CE2 +42049 C CZ . PHE Z 21 ? 1.1747 1.1440 1.0581 0.0277 0.0823 0.0165 21 PHE i CZ +42050 N N . GLY Z 22 ? 0.8669 0.7977 0.7191 0.0201 0.0654 0.0217 22 GLY i N +42051 C CA . GLY Z 22 ? 0.7367 0.6603 0.5821 0.0188 0.0633 0.0227 22 GLY i CA +42052 C C . GLY Z 22 ? 0.8912 0.8075 0.7269 0.0212 0.0629 0.0223 22 GLY i C +42053 O O . GLY Z 22 ? 0.9055 0.8167 0.7344 0.0207 0.0644 0.0232 22 GLY i O +42054 N N . PHE Z 23 ? 0.7733 0.6887 0.6081 0.0240 0.0610 0.0208 23 PHE i N +42055 C CA . PHE Z 23 ? 0.9192 0.8273 0.7446 0.0263 0.0604 0.0203 23 PHE i CA +42056 C C . PHE Z 23 ? 0.9907 0.8985 0.8123 0.0282 0.0651 0.0200 23 PHE i C +42057 O O . PHE Z 23 ? 0.9841 0.8854 0.7969 0.0297 0.0652 0.0199 23 PHE i O +42058 C CB . PHE Z 23 ? 0.7856 0.6922 0.6107 0.0285 0.0567 0.0188 23 PHE i CB +42059 C CG . PHE Z 23 ? 0.9482 0.8507 0.7716 0.0272 0.0519 0.0190 23 PHE i CG +42060 C CD1 . PHE Z 23 ? 0.9470 0.8426 0.7626 0.0266 0.0506 0.0196 23 PHE i CD1 +42061 C CD2 . PHE Z 23 ? 0.7311 0.6364 0.5604 0.0267 0.0487 0.0185 23 PHE i CD2 +42062 C CE1 . PHE Z 23 ? 0.8062 0.6983 0.6204 0.0254 0.0461 0.0196 23 PHE i CE1 +42063 C CE2 . PHE Z 23 ? 0.8642 0.7658 0.6919 0.0254 0.0444 0.0186 23 PHE i CE2 +42064 C CZ . PHE Z 23 ? 0.8638 0.7590 0.6842 0.0248 0.0432 0.0191 23 PHE i CZ +42065 N N . LEU Z 24 ? 0.8948 0.8095 0.7225 0.0282 0.0689 0.0200 24 LEU i N +42066 C CA . LEU Z 24 ? 1.0295 0.9445 0.8541 0.0295 0.0738 0.0199 24 LEU i CA +42067 C C . LEU Z 24 ? 1.0181 0.9307 0.8390 0.0270 0.0767 0.0216 24 LEU i C +42068 O O . LEU Z 24 ? 1.0385 0.9487 0.8539 0.0281 0.0805 0.0217 24 LEU i O +42069 C CB . LEU Z 24 ? 0.8506 0.7745 0.6838 0.0304 0.0769 0.0191 24 LEU i CB +42070 C CG . LEU Z 24 ? 0.9912 0.9170 0.8264 0.0338 0.0754 0.0173 24 LEU i CG +42071 C CD1 . LEU Z 24 ? 0.9476 0.8830 0.7925 0.0342 0.0779 0.0167 24 LEU i CD1 +42072 C CD2 . LEU Z 24 ? 0.9802 0.9001 0.8066 0.0370 0.0767 0.0165 24 LEU i CD2 +42073 N N . SER Z 25 ? 0.9589 0.8717 0.7822 0.0239 0.0751 0.0228 25 SER i N +42074 C CA . SER Z 25 ? 0.8539 0.7647 0.6745 0.0213 0.0778 0.0245 25 SER i CA +42075 C C . SER Z 25 ? 0.8299 0.7313 0.6398 0.0215 0.0762 0.0253 25 SER i C +42076 O O . SER Z 25 ? 1.0755 0.9737 0.8837 0.0194 0.0740 0.0264 25 SER i O +42077 C CB . SER Z 25 ? 0.8910 0.8063 0.7192 0.0178 0.0768 0.0255 25 SER i CB +42078 O OG . SER Z 25 ? 0.9284 0.8525 0.7659 0.0173 0.0793 0.0249 25 SER i OG +42079 N N . GLY Z 26 ? 0.9205 0.8173 0.7229 0.0244 0.0772 0.0245 26 GLY i N +42080 C CA . GLY Z 26 ? 1.0355 0.9234 0.8271 0.0250 0.0761 0.0251 26 GLY i CA +42081 C C . GLY Z 26 ? 1.0094 0.8927 0.7985 0.0246 0.0703 0.0250 26 GLY i C +42082 O O . GLY Z 26 ? 0.9546 0.8322 0.7376 0.0236 0.0691 0.0261 26 GLY i O +42083 N N . ASP Z 27 ? 1.0644 0.9498 0.8578 0.0256 0.0668 0.0237 27 ASP i N +42084 C CA . ASP Z 27 ? 0.9952 0.8771 0.7873 0.0249 0.0614 0.0236 27 ASP i CA +42085 C C . ASP Z 27 ? 0.9443 0.8177 0.7259 0.0264 0.0593 0.0234 27 ASP i C +42086 O O . ASP Z 27 ? 0.8250 0.6947 0.6042 0.0250 0.0559 0.0240 27 ASP i O +42087 C CB . ASP Z 27 ? 1.0701 0.9557 0.8684 0.0257 0.0582 0.0222 27 ASP i CB +42088 C CG . ASP Z 27 ? 0.7614 0.6448 0.5604 0.0243 0.0531 0.0224 27 ASP i CG +42089 O OD1 . ASP Z 27 ? 0.7456 0.6321 0.5499 0.0218 0.0525 0.0234 27 ASP i OD1 +42090 O OD2 . ASP Z 27 ? 0.7971 0.6757 0.5912 0.0257 0.0499 0.0214 27 ASP i OD2 +42091 N N . PRO Z 28 ? 0.8210 0.6907 0.5961 0.0291 0.0607 0.0224 28 PRO i N +42092 C CA . PRO Z 28 ? 0.8586 0.7200 0.6236 0.0303 0.0582 0.0221 28 PRO i CA +42093 C C . PRO Z 28 ? 0.9640 0.8210 0.7233 0.0288 0.0589 0.0238 28 PRO i C +42094 O O . PRO Z 28 ? 0.9150 0.7664 0.6685 0.0288 0.0553 0.0238 28 PRO i O +42095 C CB . PRO Z 28 ? 0.9007 0.7599 0.6603 0.0334 0.0608 0.0209 28 PRO i CB +42096 C CG . PRO Z 28 ? 0.9259 0.7919 0.6937 0.0342 0.0622 0.0200 28 PRO i CG +42097 C CD . PRO Z 28 ? 0.9221 0.7950 0.6988 0.0314 0.0638 0.0212 28 PRO i CD +42098 N N . ALA Z 29 ? 0.8880 0.7477 0.6491 0.0274 0.0633 0.0252 29 ALA i N +42099 C CA . ALA Z 29 ? 0.9855 0.8408 0.7411 0.0258 0.0643 0.0269 29 ALA i CA +42100 C C . ALA Z 29 ? 1.0595 0.9153 0.8187 0.0233 0.0608 0.0278 29 ALA i C +42101 O O . ALA Z 29 ? 0.9850 0.8360 0.7387 0.0224 0.0603 0.0291 29 ALA i O +42102 C CB . ALA Z 29 ? 0.8202 0.6783 0.5770 0.0248 0.0702 0.0281 29 ALA i CB +42103 N N . ARG Z 30 ? 1.0442 0.9056 0.8124 0.0223 0.0585 0.0273 30 ARG i N +42104 C CA . ARG Z 30 ? 0.9096 0.7718 0.6817 0.0199 0.0553 0.0282 30 ARG i CA +42105 C C . ARG Z 30 ? 0.9874 0.8451 0.7558 0.0207 0.0499 0.0273 30 ARG i C +42106 O O . ARG Z 30 ? 0.9419 0.8022 0.7152 0.0207 0.0465 0.0263 30 ARG i O +42107 C CB . ARG Z 30 ? 0.9120 0.7823 0.6954 0.0183 0.0554 0.0280 30 ARG i CB +42108 C CG . ARG Z 30 ? 0.9136 0.7889 0.7014 0.0172 0.0606 0.0287 30 ARG i CG +42109 C CD . ARG Z 30 ? 0.8962 0.7793 0.6950 0.0155 0.0601 0.0285 30 ARG i CD +42110 N NE . ARG Z 30 ? 0.8307 0.7196 0.6345 0.0152 0.0648 0.0286 30 ARG i NE +42111 C CZ . ARG Z 30 ? 0.8506 0.7416 0.6566 0.0128 0.0682 0.0299 30 ARG i CZ +42112 N NH1 . ARG Z 30 ? 0.8622 0.7499 0.6661 0.0107 0.0673 0.0313 30 ARG i NH1 +42113 N NH2 . ARG Z 30 ? 0.9824 0.8789 0.7930 0.0127 0.0726 0.0297 30 ARG i NH2 +42114 N N . ASN Z 31 ? 0.8731 0.7238 0.6321 0.0215 0.0491 0.0278 31 ASN i N +42115 C CA . ASN Z 31 ? 0.8763 0.7221 0.6306 0.0222 0.0441 0.0271 31 ASN i CA +42116 C C . ASN Z 31 ? 0.9631 0.8032 0.7102 0.0217 0.0441 0.0286 31 ASN i C +42117 O O . ASN Z 31 ? 0.9483 0.7875 0.6928 0.0212 0.0482 0.0299 31 ASN i O +42118 C CB . ASN Z 31 ? 0.7598 0.6023 0.5090 0.0248 0.0428 0.0253 31 ASN i CB +42119 C CG . ASN Z 31 ? 1.1043 0.9407 0.8431 0.0266 0.0452 0.0255 31 ASN i CG +42120 O OD1 . ASN Z 31 ? 0.9333 0.7634 0.6644 0.0273 0.0427 0.0256 31 ASN i OD1 +42121 N ND2 . ASN Z 31 ? 0.9450 0.7830 0.6834 0.0276 0.0499 0.0255 31 ASN i ND2 +42122 N N . PRO Z 32 ? 0.9452 0.7814 0.6888 0.0217 0.0395 0.0284 32 PRO i N +42123 C CA . PRO Z 32 ? 1.0431 0.8738 0.7797 0.0214 0.0392 0.0298 32 PRO i CA +42124 C C . PRO Z 32 ? 1.0661 0.8895 0.7913 0.0236 0.0397 0.0297 32 PRO i C +42125 O O . PRO Z 32 ? 1.1297 0.9480 0.8485 0.0236 0.0390 0.0308 32 PRO i O +42126 C CB . PRO Z 32 ? 0.8955 0.7262 0.6347 0.0205 0.0338 0.0295 32 PRO i CB +42127 C CG . PRO Z 32 ? 0.8885 0.7207 0.6301 0.0216 0.0309 0.0274 32 PRO i CG +42128 C CD . PRO Z 32 ? 0.8909 0.7276 0.6370 0.0220 0.0344 0.0269 32 PRO i CD +42129 N N . LYS Z 33 ? 1.0730 0.8954 0.7951 0.0256 0.0408 0.0283 33 LYS i N +42130 C CA . LYS Z 33 ? 1.0824 0.8976 0.7933 0.0279 0.0413 0.0281 33 LYS i CA +42131 C C . LYS Z 33 ? 1.1069 0.9224 0.8155 0.0288 0.0471 0.0283 33 LYS i C +42132 O O . LYS Z 33 ? 1.4147 1.2312 1.1238 0.0276 0.0512 0.0300 33 LYS i O +42133 C CB . LYS Z 33 ? 1.2013 1.0137 0.9088 0.0297 0.0370 0.0259 33 LYS i CB +42134 C CG . LYS Z 33 ? 1.2544 1.0618 0.9566 0.0299 0.0320 0.0258 33 LYS i CG +42135 C CD . LYS Z 33 ? 1.3632 1.1743 1.0729 0.0277 0.0292 0.0265 33 LYS i CD +42136 C CE . LYS Z 33 ? 1.6656 1.4721 1.3697 0.0274 0.0275 0.0279 33 LYS i CE +42137 N NZ . LYS Z 33 ? 1.1909 0.9932 0.8900 0.0285 0.0219 0.0267 33 LYS i NZ +42138 N N . ARG Z 34 ? 1.2990 1.1138 1.0051 0.0309 0.0476 0.0267 34 ARG i N +42139 C CA . ARG Z 34 ? 1.2912 1.1056 0.9940 0.0322 0.0530 0.0269 34 ARG i CA +42140 C C . ARG Z 34 ? 1.5250 1.3475 1.2379 0.0308 0.0568 0.0272 34 ARG i C +42141 O O . ARG Z 34 ? 1.5527 1.3800 1.2723 0.0311 0.0559 0.0259 34 ARG i O +42142 C CB . ARG Z 34 ? 1.2336 1.0446 0.9306 0.0350 0.0522 0.0249 34 ARG i CB +42143 C CG . ARG Z 34 ? 1.4818 1.2846 1.1681 0.0365 0.0486 0.0244 34 ARG i CG +42144 C CD . ARG Z 34 ? 1.3545 1.1535 1.0349 0.0392 0.0477 0.0223 34 ARG i CD +42145 N NE . ARG Z 34 ? 1.8287 1.6242 1.5015 0.0410 0.0523 0.0226 34 ARG i NE +42146 C CZ . ARG Z 34 ? 2.1372 1.9254 1.7990 0.0422 0.0526 0.0231 34 ARG i CZ +42147 N NH1 . ARG Z 34 ? 1.9359 1.7196 1.5931 0.0418 0.0485 0.0235 34 ARG i NH1 +42148 N NH2 . ARG Z 34 ? 1.9659 1.7512 1.6212 0.0439 0.0572 0.0232 34 ARG i NH2 +42149 N N . LYS Z 35 ? 1.5290 1.3530 1.2430 0.0292 0.0610 0.0290 35 LYS i N +42150 C CA . LYS Z 35 ? 1.4038 1.2356 1.1275 0.0275 0.0647 0.0295 35 LYS i CA +42151 C C . LYS Z 35 ? 1.7190 1.5521 1.4411 0.0288 0.0704 0.0293 35 LYS i C +42152 O O . LYS Z 35 ? 1.6613 1.4975 1.3863 0.0273 0.0750 0.0305 35 LYS i O +42153 C CB . LYS Z 35 ? 1.1847 1.0179 0.9116 0.0246 0.0657 0.0315 35 LYS i CB +42154 C CG . LYS Z 35 ? 1.2077 1.0386 0.9346 0.0236 0.0603 0.0318 35 LYS i CG +42155 C CD . LYS Z 35 ? 1.2290 1.0600 0.9575 0.0210 0.0612 0.0337 35 LYS i CD +42156 C CE . LYS Z 35 ? 1.5935 1.4196 1.3180 0.0209 0.0561 0.0341 35 LYS i CE +42157 N NZ . LYS Z 35 ? 1.5326 1.3506 1.2454 0.0233 0.0548 0.0338 35 LYS i NZ +42158 N N . ASP Z 36 ? 1.6018 1.4330 1.3199 0.0316 0.0702 0.0277 36 ASP i N +42159 C CA . ASP Z 36 ? 1.7696 1.6023 1.4865 0.0332 0.0754 0.0272 36 ASP i CA +42160 C C . ASP Z 36 ? 2.1894 2.0222 1.9059 0.0360 0.0738 0.0250 36 ASP i C +42161 O O . ASP Z 36 ? 2.2555 2.0819 1.9628 0.0384 0.0731 0.0241 36 ASP i O +42162 C CB . ASP Z 36 ? 2.0349 1.8608 1.7408 0.0340 0.0787 0.0283 36 ASP i CB +42163 C CG . ASP Z 36 ? 2.1424 1.9594 1.8378 0.0353 0.0746 0.0281 36 ASP i CG +42164 O OD1 . ASP Z 36 ? 2.0349 1.8481 1.7243 0.0380 0.0733 0.0265 36 ASP i OD1 +42165 O OD2 . ASP Z 36 ? 2.0009 1.8148 1.6940 0.0337 0.0725 0.0294 36 ASP i OD2 +42166 N N . LEU Z 37 ? 1.9272 1.7671 1.6535 0.0359 0.0732 0.0240 37 LEU i N +42167 C CA . LEU Z 37 ? 2.0950 1.9347 1.8215 0.0383 0.0707 0.0219 37 LEU i CA +42168 C C . LEU Z 37 ? 2.1034 1.9498 1.8364 0.0396 0.0745 0.0210 37 LEU i C +42169 O O . LEU Z 37 ? 1.7002 1.5519 1.4411 0.0397 0.0729 0.0201 37 LEU i O +42170 C CB . LEU Z 37 ? 1.8104 1.6508 1.5413 0.0372 0.0648 0.0214 37 LEU i CB +42171 C CG . LEU Z 37 ? 1.3779 1.2113 1.1014 0.0366 0.0610 0.0219 37 LEU i CG +42172 C CD1 . LEU Z 37 ? 1.1939 1.0292 0.9231 0.0346 0.0561 0.0220 37 LEU i CD1 +42173 C CD2 . LEU Z 37 ? 1.3371 1.1634 1.0509 0.0393 0.0591 0.0204 37 LEU i CD2 +42174 N N . GLU Z 38 ? 1.9005 1.7462 1.6293 0.0409 0.0797 0.0212 38 GLU i N +42175 C CA . GLU Z 38 ? 1.7504 1.6016 1.4837 0.0426 0.0837 0.0203 38 GLU i CA +42176 C C . GLU Z 38 ? 1.7315 1.5775 1.4554 0.0458 0.0866 0.0194 38 GLU i C +42177 O O . GLU Z 38 ? 1.5735 1.4114 1.2876 0.0471 0.0843 0.0190 38 GLU i O +42178 C CB . GLU Z 38 ? 1.7006 1.5590 1.4415 0.0404 0.0884 0.0216 38 GLU i CB +42179 C CG . GLU Z 38 ? 1.9302 1.7855 1.6648 0.0396 0.0933 0.0231 38 GLU i CG +42180 C CD . GLU Z 38 ? 1.9076 1.7708 1.6504 0.0376 0.0983 0.0240 38 GLU i CD +42181 O OE1 . GLU Z 38 ? 1.9496 1.8158 1.6981 0.0344 0.0976 0.0253 38 GLU i OE1 +42182 O OE2 . GLU Z 38 ? 1.7040 1.5702 1.4474 0.0392 0.1031 0.0234 38 GLU i OE2 +42183 O OXT . GLU Z 38 ? 1.4303 1.2800 1.1560 0.0472 0.0912 0.0189 38 GLU i OXT +42184 N N . MET AA 1 ? 1.4789 1.1515 1.0909 -0.0272 -0.1342 -0.1025 1 MET j N +42185 C CA . MET AA 1 ? 1.7034 1.3826 1.3165 -0.0241 -0.1361 -0.1011 1 MET j CA +42186 C C . MET AA 1 ? 1.8266 1.5137 1.4479 -0.0226 -0.1323 -0.0968 1 MET j C +42187 O O . MET AA 1 ? 1.3967 1.0815 1.0173 -0.0208 -0.1271 -0.0938 1 MET j O +42188 C CB . MET AA 1 ? 1.5546 1.2268 1.1549 -0.0189 -0.1362 -0.1010 1 MET j CB +42189 N N . SER AA 2 ? 1.9324 1.6289 1.5616 -0.0234 -0.1351 -0.0965 2 SER j N +42190 C CA . SER AA 2 ? 1.7649 1.4697 1.4025 -0.0223 -0.1323 -0.0927 2 SER j CA +42191 C C . SER AA 2 ? 1.9147 1.6185 1.5465 -0.0166 -0.1296 -0.0894 2 SER j C +42192 O O . SER AA 2 ? 1.7489 1.4595 1.3871 -0.0154 -0.1274 -0.0863 2 SER j O +42193 C CB . SER AA 2 ? 1.5494 1.2642 1.1966 -0.0247 -0.1366 -0.0938 2 SER j CB +42194 O OG . SER AA 2 ? 1.7100 1.4263 1.3631 -0.0301 -0.1391 -0.0969 2 SER j OG +42195 N N . GLU AA 3 ? 2.4030 2.0985 2.0229 -0.0133 -0.1295 -0.0901 3 GLU j N +42196 C CA . GLU AA 3 ? 2.2710 1.9651 1.8844 -0.0080 -0.1273 -0.0874 3 GLU j CA +42197 C C . GLU AA 3 ? 2.1524 1.8471 1.7682 -0.0062 -0.1209 -0.0834 3 GLU j C +42198 O O . GLU AA 3 ? 2.0230 1.7121 1.6365 -0.0067 -0.1177 -0.0833 3 GLU j O +42199 C CB . GLU AA 3 ? 2.2021 1.8865 1.8020 -0.0053 -0.1284 -0.0893 3 GLU j CB +42200 C CG . GLU AA 3 ? 2.2983 1.9802 1.8903 0.0002 -0.1260 -0.0867 3 GLU j CG +42201 C CD . GLU AA 3 ? 2.5295 2.2164 2.1215 0.0020 -0.1296 -0.0865 3 GLU j CD +42202 O OE1 . GLU AA 3 ? 2.6149 2.3039 2.2084 -0.0002 -0.1352 -0.0895 3 GLU j OE1 +42203 O OE2 . GLU AA 3 ? 2.4609 2.1494 2.0513 0.0056 -0.1270 -0.0833 3 GLU j OE2 +42204 N N . GLY AA 4 ? 1.8992 1.6002 1.5193 -0.0040 -0.1192 -0.0802 4 GLY j N +42205 C CA . GLY AA 4 ? 1.7233 1.4257 1.3463 -0.0023 -0.1134 -0.0764 4 GLY j CA +42206 C C . GLY AA 4 ? 1.6706 1.3668 1.2834 0.0026 -0.1100 -0.0746 4 GLY j C +42207 O O . GLY AA 4 ? 2.1474 1.8421 1.7535 0.0055 -0.1118 -0.0747 4 GLY j O +42208 N N . GLY AA 5 ? 1.6693 1.3620 1.2809 0.0035 -0.1051 -0.0730 5 GLY j N +42209 C CA . GLY AA 5 ? 1.3320 1.0187 0.9344 0.0080 -0.1013 -0.0714 5 GLY j CA +42210 C C . GLY AA 5 ? 1.7066 1.3838 1.3007 0.0084 -0.1002 -0.0734 5 GLY j C +42211 O O . GLY AA 5 ? 1.4878 1.1602 1.0753 0.0119 -0.0963 -0.0720 5 GLY j O +42212 N N . ARG AA 6 ? 1.6801 1.3543 1.2744 0.0048 -0.1034 -0.0768 6 ARG j N +42213 C CA . ARG AA 6 ? 1.6947 1.3589 1.2798 0.0052 -0.1030 -0.0791 6 ARG j CA +42214 C C . ARG AA 6 ? 1.6981 1.3590 1.2828 0.0066 -0.0974 -0.0771 6 ARG j C +42215 O O . ARG AA 6 ? 1.7242 1.3773 1.2996 0.0095 -0.0953 -0.0775 6 ARG j O +42216 C CB . ARG AA 6 ? 1.6777 1.3402 1.2647 0.0005 -0.1074 -0.0829 6 ARG j CB +42217 C CG . ARG AA 6 ? 1.9399 1.6062 1.5282 -0.0012 -0.1133 -0.0852 6 ARG j CG +42218 C CD . ARG AA 6 ? 1.9105 1.5717 1.4876 0.0023 -0.1155 -0.0864 6 ARG j CD +42219 N NE . ARG AA 6 ? 2.1414 1.7921 1.7076 0.0043 -0.1138 -0.0877 6 ARG j NE +42220 C CZ . ARG AA 6 ? 2.1971 1.8433 1.7555 0.0088 -0.1099 -0.0858 6 ARG j CZ +42221 N NH1 . ARG AA 6 ? 2.0008 1.6518 1.5607 0.0119 -0.1074 -0.0825 6 ARG j NH1 +42222 N NH2 . ARG AA 6 ? 2.3347 1.9714 1.8837 0.0103 -0.1084 -0.0872 6 ARG j NH2 +42223 N N . ILE AA 7 ? 1.7223 1.3889 1.3169 0.0047 -0.0951 -0.0751 7 ILE j N +42224 C CA . ILE AA 7 ? 1.4877 1.1520 1.0828 0.0061 -0.0898 -0.0731 7 ILE j CA +42225 C C . ILE AA 7 ? 1.2688 0.9393 0.8678 0.0090 -0.0861 -0.0691 7 ILE j C +42226 O O . ILE AA 7 ? 1.5284 1.2072 1.1361 0.0075 -0.0870 -0.0677 7 ILE j O +42227 C CB . ILE AA 7 ? 1.4552 1.1206 1.0579 0.0018 -0.0895 -0.0736 7 ILE j CB +42228 C CG1 . ILE AA 7 ? 1.4955 1.1546 1.0942 -0.0014 -0.0933 -0.0776 7 ILE j CG1 +42229 C CG2 . ILE AA 7 ? 1.4570 1.1197 1.0596 0.0037 -0.0843 -0.0715 7 ILE j CG2 +42230 C CD1 . ILE AA 7 ? 1.5846 1.2491 1.1895 -0.0056 -0.0983 -0.0796 7 ILE j CD1 +42231 N N . PRO AA 8 ? 1.2682 0.9351 0.8613 0.0132 -0.0820 -0.0674 8 PRO j N +42232 C CA . PRO AA 8 ? 1.2045 0.8773 0.8011 0.0160 -0.0785 -0.0638 8 PRO j CA +42233 C C . PRO AA 8 ? 1.5044 1.1838 1.1120 0.0141 -0.0760 -0.0614 8 PRO j C +42234 O O . PRO AA 8 ? 1.3157 0.9930 0.9257 0.0124 -0.0748 -0.0619 8 PRO j O +42235 C CB . PRO AA 8 ? 1.2668 0.9332 0.8543 0.0204 -0.0745 -0.0630 8 PRO j CB +42236 C CG . PRO AA 8 ? 1.3034 0.9602 0.8814 0.0203 -0.0766 -0.0665 8 PRO j CG +42237 C CD . PRO AA 8 ? 1.1991 0.8563 0.7824 0.0154 -0.0801 -0.0688 8 PRO j CD +42238 N N . LEU AA 9 ? 1.2748 0.9623 0.8889 0.0145 -0.0753 -0.0589 9 LEU j N +42239 C CA . LEU AA 9 ? 1.2652 0.9596 0.8901 0.0125 -0.0734 -0.0567 9 LEU j CA +42240 C C . LEU AA 9 ? 1.2492 0.9421 0.8744 0.0146 -0.0683 -0.0547 9 LEU j C +42241 O O . LEU AA 9 ? 1.1988 0.8939 0.8308 0.0125 -0.0670 -0.0541 9 LEU j O +42242 C CB . LEU AA 9 ? 1.2104 0.9132 0.8412 0.0129 -0.0737 -0.0544 9 LEU j CB +42243 C CG . LEU AA 9 ? 1.3638 1.0747 1.0064 0.0095 -0.0746 -0.0534 9 LEU j CG +42244 C CD1 . LEU AA 9 ? 1.1719 0.8813 0.8181 0.0055 -0.0762 -0.0555 9 LEU j CD1 +42245 C CD2 . LEU AA 9 ? 1.3763 1.0928 1.0218 0.0087 -0.0782 -0.0535 9 LEU j CD2 +42246 N N . TRP AA 10 ? 1.1626 0.8516 0.7805 0.0187 -0.0653 -0.0538 10 TRP j N +42247 C CA . TRP AA 10 ? 1.2084 0.8962 0.8268 0.0208 -0.0604 -0.0521 10 TRP j CA +42248 C C . TRP AA 10 ? 1.3690 1.0503 0.9851 0.0195 -0.0604 -0.0540 10 TRP j C +42249 O O . TRP AA 10 ? 1.2669 0.9489 0.8869 0.0197 -0.0574 -0.0527 10 TRP j O +42250 C CB . TRP AA 10 ? 1.1403 0.8254 0.7513 0.0255 -0.0572 -0.0508 10 TRP j CB +42251 C CG . TRP AA 10 ? 1.4795 1.1553 1.0790 0.0276 -0.0576 -0.0532 10 TRP j CG +42252 C CD1 . TRP AA 10 ? 1.2739 0.9459 0.8657 0.0283 -0.0606 -0.0551 10 TRP j CD1 +42253 C CD2 . TRP AA 10 ? 1.4315 1.1004 1.0256 0.0294 -0.0551 -0.0541 10 TRP j CD2 +42254 N NE1 . TRP AA 10 ? 1.2841 0.9472 0.8661 0.0303 -0.0600 -0.0570 10 TRP j NE1 +42255 C CE2 . TRP AA 10 ? 1.4294 1.0905 1.0126 0.0311 -0.0566 -0.0565 10 TRP j CE2 +42256 C CE3 . TRP AA 10 ? 1.3757 1.0442 0.9730 0.0300 -0.0517 -0.0531 10 TRP j CE3 +42257 C CZ2 . TRP AA 10 ? 1.3499 1.0028 0.9254 0.0333 -0.0547 -0.0579 10 TRP j CZ2 +42258 C CZ3 . TRP AA 10 ? 1.3622 1.0226 0.9518 0.0323 -0.0499 -0.0544 10 TRP j CZ3 +42259 C CH2 . TRP AA 10 ? 1.4691 1.1217 1.0479 0.0338 -0.0514 -0.0568 10 TRP j CH2 +42260 N N . ILE AA 11 ? 1.3750 1.0499 0.9848 0.0182 -0.0637 -0.0572 11 ILE j N +42261 C CA . ILE AA 11 ? 1.4358 1.1043 1.0437 0.0164 -0.0640 -0.0592 11 ILE j CA +42262 C C . ILE AA 11 ? 1.3384 1.0115 0.9559 0.0118 -0.0656 -0.0593 11 ILE j C +42263 O O . ILE AA 11 ? 1.2796 0.9508 0.8996 0.0108 -0.0638 -0.0590 11 ILE j O +42264 C CB . ILE AA 11 ? 1.2019 0.8618 0.7999 0.0163 -0.0671 -0.0627 11 ILE j CB +42265 C CG1 . ILE AA 11 ? 1.4026 1.0573 0.9906 0.0211 -0.0649 -0.0625 11 ILE j CG1 +42266 C CG2 . ILE AA 11 ? 1.1525 0.8057 0.7486 0.0141 -0.0676 -0.0649 11 ILE j CG2 +42267 C CD1 . ILE AA 11 ? 1.3412 0.9885 0.9193 0.0213 -0.0682 -0.0658 11 ILE j CD1 +42268 N N . VAL AA 12 ? 1.0912 0.7702 0.7141 0.0090 -0.0691 -0.0597 12 VAL j N +42269 C CA . VAL AA 12 ? 1.2417 0.9255 0.8740 0.0045 -0.0706 -0.0598 12 VAL j CA +42270 C C . VAL AA 12 ? 1.2702 0.9596 0.9103 0.0050 -0.0668 -0.0566 12 VAL j C +42271 O O . VAL AA 12 ? 1.2096 0.8994 0.8547 0.0025 -0.0661 -0.0565 12 VAL j O +42272 C CB . VAL AA 12 ? 1.3360 1.0259 0.9728 0.0020 -0.0748 -0.0607 12 VAL j CB +42273 C CG1 . VAL AA 12 ? 1.2707 0.9660 0.9176 -0.0026 -0.0762 -0.0608 12 VAL j CG1 +42274 C CG2 . VAL AA 12 ? 1.3542 1.0386 0.9834 0.0015 -0.0788 -0.0640 12 VAL j CG2 +42275 N N . ALA AA 13 ? 1.1741 0.8679 0.8151 0.0083 -0.0643 -0.0539 13 ALA j N +42276 C CA . ALA AA 13 ? 1.1717 0.8711 0.8199 0.0090 -0.0607 -0.0509 13 ALA j CA +42277 C C . ALA AA 13 ? 1.1933 0.8874 0.8387 0.0108 -0.0572 -0.0505 13 ALA j C +42278 O O . ALA AA 13 ? 1.1323 0.8288 0.7839 0.0095 -0.0555 -0.0492 13 ALA j O +42279 C CB . ALA AA 13 ? 1.1921 0.8969 0.8413 0.0121 -0.0588 -0.0484 13 ALA j CB +42280 N N . THR AA 14 ? 1.1326 0.8194 0.7686 0.0139 -0.0560 -0.0515 14 THR j N +42281 C CA . THR AA 14 ? 1.1303 0.8120 0.7633 0.0161 -0.0526 -0.0511 14 THR j CA +42282 C C . THR AA 14 ? 1.3121 0.9888 0.9454 0.0129 -0.0540 -0.0530 14 THR j C +42283 O O . THR AA 14 ? 1.2358 0.9117 0.8717 0.0131 -0.0515 -0.0520 14 THR j O +42284 C CB . THR AA 14 ? 1.2108 0.8858 0.8333 0.0202 -0.0512 -0.0520 14 THR j CB +42285 O OG1 . THR AA 14 ? 1.2704 0.9499 0.8925 0.0230 -0.0499 -0.0502 14 THR j OG1 +42286 C CG2 . THR AA 14 ? 1.1241 0.7945 0.7439 0.0230 -0.0474 -0.0514 14 THR j CG2 +42287 N N . VAL AA 15 ? 1.2910 0.9643 0.9217 0.0098 -0.0579 -0.0558 15 VAL j N +42288 C CA . VAL AA 15 ? 1.3087 0.9769 0.9394 0.0064 -0.0592 -0.0578 15 VAL j CA +42289 C C . VAL AA 15 ? 1.3049 0.9796 0.9460 0.0027 -0.0595 -0.0565 15 VAL j C +42290 O O . VAL AA 15 ? 1.2540 0.9261 0.8969 0.0013 -0.0581 -0.0564 15 VAL j O +42291 C CB . VAL AA 15 ? 1.3443 1.0071 0.9692 0.0041 -0.0634 -0.0613 15 VAL j CB +42292 C CG1 . VAL AA 15 ? 1.1842 0.8433 0.8110 -0.0004 -0.0651 -0.0632 15 VAL j CG1 +42293 C CG2 . VAL AA 15 ? 1.1417 0.7961 0.7553 0.0078 -0.0627 -0.0627 15 VAL j CG2 +42294 N N . ALA AA 16 ? 1.1906 0.8738 0.8386 0.0011 -0.0611 -0.0556 16 ALA j N +42295 C CA . ALA AA 16 ? 1.3235 1.0135 0.9816 -0.0021 -0.0611 -0.0543 16 ALA j CA +42296 C C . ALA AA 16 ? 1.2555 0.9480 0.9175 0.0001 -0.0568 -0.0513 16 ALA j C +42297 O O . ALA AA 16 ? 1.2946 0.9876 0.9613 -0.0021 -0.0559 -0.0507 16 ALA j O +42298 C CB . ALA AA 16 ? 1.1081 0.8068 0.7725 -0.0036 -0.0634 -0.0537 16 ALA j CB +42299 N N . GLY AA 17 ? 1.2224 0.9164 0.8821 0.0044 -0.0542 -0.0494 17 GLY j N +42300 C CA . GLY AA 17 ? 1.1651 0.8619 0.8284 0.0068 -0.0503 -0.0467 17 GLY j CA +42301 C C . GLY AA 17 ? 1.2752 0.9649 0.9351 0.0073 -0.0485 -0.0472 17 GLY j C +42302 O O . GLY AA 17 ? 1.2236 0.9152 0.8888 0.0064 -0.0469 -0.0458 17 GLY j O +42303 N N . MET AA 18 ? 1.1971 0.8781 0.8477 0.0090 -0.0486 -0.0492 18 MET j N +42304 C CA . MET AA 18 ? 1.3662 1.0396 1.0127 0.0097 -0.0470 -0.0499 18 MET j CA +42305 C C . MET AA 18 ? 1.1932 0.8651 0.8436 0.0050 -0.0487 -0.0509 18 MET j C +42306 O O . MET AA 18 ? 1.1573 0.8267 0.8088 0.0050 -0.0468 -0.0501 18 MET j O +42307 C CB . MET AA 18 ? 1.2094 0.8734 0.8450 0.0120 -0.0473 -0.0521 18 MET j CB +42308 C CG . MET AA 18 ? 1.5311 1.1960 1.1624 0.0170 -0.0451 -0.0511 18 MET j CG +42309 S SD . MET AA 18 ? 1.6485 1.3029 1.2666 0.0199 -0.0456 -0.0538 18 MET j SD +42310 C CE . MET AA 18 ? 2.0349 1.6805 1.6488 0.0212 -0.0433 -0.0544 18 MET j CE +42311 N N . GLY AA 19 ? 1.2075 0.8810 0.8600 0.0009 -0.0523 -0.0526 19 GLY j N +42312 C CA . GLY AA 19 ? 1.1931 0.8661 0.8500 -0.0039 -0.0538 -0.0535 19 GLY j CA +42313 C C . GLY AA 19 ? 1.3727 1.0526 1.0386 -0.0049 -0.0519 -0.0509 19 GLY j C +42314 O O . GLY AA 19 ? 1.2478 0.9249 0.9153 -0.0066 -0.0509 -0.0507 19 GLY j O +42315 N N . VAL AA 20 ? 1.2099 0.8987 0.8816 -0.0036 -0.0513 -0.0488 20 VAL j N +42316 C CA . VAL AA 20 ? 1.2050 0.9007 0.8853 -0.0042 -0.0494 -0.0462 20 VAL j CA +42317 C C . VAL AA 20 ? 1.2218 0.9142 0.9003 -0.0010 -0.0459 -0.0446 20 VAL j C +42318 O O . VAL AA 20 ? 1.1072 0.7999 0.7897 -0.0025 -0.0447 -0.0436 20 VAL j O +42319 C CB . VAL AA 20 ? 1.2310 0.9361 0.9169 -0.0031 -0.0494 -0.0443 20 VAL j CB +42320 C CG1 . VAL AA 20 ? 1.2590 0.9705 0.9523 -0.0025 -0.0468 -0.0414 20 VAL j CG1 +42321 C CG2 . VAL AA 20 ? 1.1394 0.8487 0.8289 -0.0068 -0.0531 -0.0457 20 VAL j CG2 +42322 N N . ILE AA 21 ? 1.1515 0.8406 0.8238 0.0035 -0.0441 -0.0443 21 ILE j N +42323 C CA . ILE AA 21 ? 1.1508 0.8371 0.8212 0.0070 -0.0407 -0.0429 21 ILE j CA +42324 C C . ILE AA 21 ? 1.2455 0.9233 0.9122 0.0055 -0.0407 -0.0442 21 ILE j C +42325 O O . ILE AA 21 ? 1.2022 0.8795 0.8708 0.0065 -0.0385 -0.0428 21 ILE j O +42326 C CB . ILE AA 21 ? 1.2334 0.9173 0.8971 0.0120 -0.0390 -0.0428 21 ILE j CB +42327 C CG1 . ILE AA 21 ? 1.3642 1.0567 1.0321 0.0136 -0.0384 -0.0411 21 ILE j CG1 +42328 C CG2 . ILE AA 21 ? 1.2158 0.8958 0.8767 0.0157 -0.0357 -0.0418 21 ILE j CG2 +42329 C CD1 . ILE AA 21 ? 1.6386 1.3290 1.2999 0.0181 -0.0368 -0.0411 21 ILE j CD1 +42330 N N . VAL AA 22 ? 1.1650 0.8361 0.8264 0.0030 -0.0431 -0.0470 22 VAL j N +42331 C CA . VAL AA 22 ? 1.1073 0.7695 0.7645 0.0016 -0.0430 -0.0483 22 VAL j CA +42332 C C . VAL AA 22 ? 1.1992 0.8640 0.8633 -0.0028 -0.0434 -0.0477 22 VAL j C +42333 O O . VAL AA 22 ? 1.0782 0.7391 0.7420 -0.0027 -0.0417 -0.0470 22 VAL j O +42334 C CB . VAL AA 22 ? 1.1434 0.7973 0.7926 0.0001 -0.0455 -0.0516 22 VAL j CB +42335 C CG1 . VAL AA 22 ? 1.0579 0.7038 0.7046 -0.0033 -0.0461 -0.0531 22 VAL j CG1 +42336 C CG2 . VAL AA 22 ? 1.0301 0.6784 0.6705 0.0050 -0.0442 -0.0522 22 VAL j CG2 +42337 N N . ILE AA 23 ? 1.0790 0.7503 0.7494 -0.0067 -0.0457 -0.0480 23 ILE j N +42338 C CA . ILE AA 23 ? 1.1209 0.7945 0.7978 -0.0111 -0.0462 -0.0476 23 ILE j CA +42339 C C . ILE AA 23 ? 1.2377 0.9172 0.9209 -0.0095 -0.0435 -0.0445 23 ILE j C +42340 O O . ILE AA 23 ? 1.0895 0.7667 0.7743 -0.0110 -0.0423 -0.0438 23 ILE j O +42341 C CB . ILE AA 23 ? 1.2561 0.9355 0.9382 -0.0155 -0.0494 -0.0489 23 ILE j CB +42342 C CG1 . ILE AA 23 ? 1.4013 1.0839 1.0907 -0.0202 -0.0497 -0.0485 23 ILE j CG1 +42343 C CG2 . ILE AA 23 ? 1.3859 1.0745 1.0723 -0.0135 -0.0498 -0.0475 23 ILE j CG2 +42344 C CD1 . ILE AA 23 ? 1.3316 1.0051 1.0169 -0.0232 -0.0499 -0.0502 23 ILE j CD1 +42345 N N . VAL AA 24 ? 1.0804 0.7671 0.7668 -0.0064 -0.0424 -0.0426 24 VAL j N +42346 C CA . VAL AA 24 ? 1.1271 0.8196 0.8193 -0.0046 -0.0399 -0.0398 24 VAL j CA +42347 C C . VAL AA 24 ? 1.1225 0.8088 0.8099 -0.0010 -0.0373 -0.0390 24 VAL j C +42348 O O . VAL AA 24 ? 1.0532 0.7402 0.7440 -0.0011 -0.0357 -0.0374 24 VAL j O +42349 C CB . VAL AA 24 ? 1.1530 0.8542 0.8492 -0.0022 -0.0395 -0.0381 24 VAL j CB +42350 C CG1 . VAL AA 24 ? 1.2687 0.9752 0.9699 0.0004 -0.0367 -0.0353 24 VAL j CG1 +42351 C CG2 . VAL AA 24 ? 1.0929 0.8007 0.7949 -0.0059 -0.0421 -0.0386 24 VAL j CG2 +42352 N N . GLY AA 25 ? 1.0553 0.7352 0.7347 0.0023 -0.0368 -0.0401 25 GLY j N +42353 C CA . GLY AA 25 ? 0.9723 0.6454 0.6464 0.0057 -0.0345 -0.0398 25 GLY j CA +42354 C C . GLY AA 25 ? 1.0844 0.7504 0.7568 0.0027 -0.0348 -0.0406 25 GLY j C +42355 O O . GLY AA 25 ? 1.0759 0.7394 0.7480 0.0044 -0.0328 -0.0393 25 GLY j O +42356 N N . LEU AA 26 ? 0.9419 0.6047 0.6132 -0.0018 -0.0373 -0.0428 26 LEU j N +42357 C CA . LEU AA 26 ? 1.0675 0.7235 0.7373 -0.0052 -0.0375 -0.0436 26 LEU j CA +42358 C C . LEU AA 26 ? 1.0831 0.7446 0.7608 -0.0072 -0.0365 -0.0415 26 LEU j C +42359 O O . LEU AA 26 ? 0.9859 0.6423 0.6621 -0.0073 -0.0351 -0.0409 26 LEU j O +42360 C CB . LEU AA 26 ? 0.9619 0.6146 0.6300 -0.0100 -0.0405 -0.0464 26 LEU j CB +42361 C CG . LEU AA 26 ? 1.1284 0.7742 0.7951 -0.0144 -0.0410 -0.0476 26 LEU j CG +42362 C CD1 . LEU AA 26 ? 1.1878 0.8226 0.8458 -0.0116 -0.0394 -0.0481 26 LEU j CD1 +42363 C CD2 . LEU AA 26 ? 1.1215 0.7661 0.7879 -0.0193 -0.0441 -0.0504 26 LEU j CD2 +42364 N N . PHE AA 27 ? 1.0523 0.7243 0.7382 -0.0085 -0.0371 -0.0402 27 PHE j N +42365 C CA . PHE AA 27 ? 1.0033 0.6810 0.6968 -0.0102 -0.0361 -0.0382 27 PHE j CA +42366 C C . PHE AA 27 ? 0.9156 0.5938 0.6092 -0.0058 -0.0333 -0.0358 27 PHE j C +42367 O O . PHE AA 27 ? 1.0038 0.6807 0.6992 -0.0067 -0.0321 -0.0347 27 PHE j O +42368 C CB . PHE AA 27 ? 0.9285 0.6171 0.6303 -0.0122 -0.0374 -0.0374 27 PHE j CB +42369 C CG . PHE AA 27 ? 1.1199 0.8090 0.8227 -0.0167 -0.0403 -0.0397 27 PHE j CG +42370 C CD1 . PHE AA 27 ? 1.1392 0.8200 0.8373 -0.0200 -0.0415 -0.0420 27 PHE j CD1 +42371 C CD2 . PHE AA 27 ? 1.0330 0.7307 0.7415 -0.0178 -0.0419 -0.0396 27 PHE j CD2 +42372 C CE1 . PHE AA 27 ? 1.1067 0.7884 0.8062 -0.0243 -0.0443 -0.0442 27 PHE j CE1 +42373 C CE2 . PHE AA 27 ? 1.1041 0.8026 0.8136 -0.0219 -0.0448 -0.0418 27 PHE j CE2 +42374 C CZ . PHE AA 27 ? 1.0335 0.7243 0.7388 -0.0252 -0.0460 -0.0441 27 PHE j CZ +42375 N N . PHE AA 28 ? 0.9802 0.6602 0.6717 -0.0010 -0.0321 -0.0351 28 PHE j N +42376 C CA . PHE AA 28 ? 0.9582 0.6389 0.6499 0.0034 -0.0295 -0.0331 28 PHE j CA +42377 C C . PHE AA 28 ? 1.1406 0.8108 0.8251 0.0050 -0.0285 -0.0337 28 PHE j C +42378 O O . PHE AA 28 ? 1.1161 0.7856 0.8017 0.0065 -0.0268 -0.0321 28 PHE j O +42379 C CB . PHE AA 28 ? 0.9506 0.6362 0.6423 0.0079 -0.0285 -0.0323 28 PHE j CB +42380 C CG . PHE AA 28 ? 1.1822 0.8791 0.8825 0.0074 -0.0284 -0.0304 28 PHE j CG +42381 C CD1 . PHE AA 28 ? 1.0399 0.7420 0.7459 0.0085 -0.0267 -0.0281 28 PHE j CD1 +42382 C CD2 . PHE AA 28 ? 1.0526 0.7546 0.7553 0.0057 -0.0301 -0.0310 28 PHE j CD2 +42383 C CE1 . PHE AA 28 ? 1.1943 0.9066 0.9081 0.0080 -0.0267 -0.0265 28 PHE j CE1 +42384 C CE2 . PHE AA 28 ? 1.1684 0.8804 0.8788 0.0053 -0.0300 -0.0293 28 PHE j CE2 +42385 C CZ . PHE AA 28 ? 1.0653 0.7824 0.7813 0.0064 -0.0282 -0.0270 28 PHE j CZ +42386 N N . TYR AA 29 ? 1.0870 0.7486 0.7637 0.0047 -0.0294 -0.0360 29 TYR j N +42387 C CA . TYR AA 29 ? 0.8927 0.5434 0.5624 0.0054 -0.0287 -0.0368 29 TYR j CA +42388 C C . TYR AA 29 ? 1.0113 0.6605 0.6841 0.0013 -0.0288 -0.0362 29 TYR j C +42389 O O . TYR AA 29 ? 0.9444 0.5893 0.6152 0.0030 -0.0272 -0.0351 29 TYR j O +42390 C CB . TYR AA 29 ? 1.0935 0.7353 0.7549 0.0046 -0.0302 -0.0396 29 TYR j CB +42391 C CG . TYR AA 29 ? 1.0712 0.7014 0.7258 0.0035 -0.0300 -0.0408 29 TYR j CG +42392 C CD1 . TYR AA 29 ? 1.0586 0.6818 0.7069 0.0081 -0.0281 -0.0404 29 TYR j CD1 +42393 C CD2 . TYR AA 29 ? 1.0782 0.7047 0.7331 -0.0022 -0.0316 -0.0421 29 TYR j CD2 +42394 C CE1 . TYR AA 29 ? 1.0901 0.7022 0.7320 0.0072 -0.0278 -0.0413 29 TYR j CE1 +42395 C CE2 . TYR AA 29 ? 1.1041 0.7199 0.7529 -0.0035 -0.0312 -0.0431 29 TYR j CE2 +42396 C CZ . TYR AA 29 ? 1.2138 0.8221 0.8559 0.0012 -0.0294 -0.0426 29 TYR j CZ +42397 O OH . TYR AA 29 ? 1.2000 0.7972 0.8357 -0.0001 -0.0291 -0.0435 29 TYR j OH +42398 N N . GLY AA 30 ? 0.9641 0.6171 0.6418 -0.0040 -0.0306 -0.0369 30 GLY j N +42399 C CA . GLY AA 30 ? 0.9721 0.6231 0.6522 -0.0082 -0.0306 -0.0366 30 GLY j CA +42400 C C . GLY AA 30 ? 1.0496 0.7062 0.7355 -0.0069 -0.0288 -0.0338 30 GLY j C +42401 O O . GLY AA 30 ? 1.0464 0.6997 0.7328 -0.0092 -0.0282 -0.0332 30 GLY j O +42402 N N . ALA AA 31 ? 1.0615 0.7264 0.7517 -0.0033 -0.0280 -0.0321 31 ALA j N +42403 C CA . ALA AA 31 ? 1.0079 0.6781 0.7032 -0.0015 -0.0263 -0.0295 31 ALA j CA +42404 C C . ALA AA 31 ? 1.0338 0.6969 0.7237 0.0025 -0.0245 -0.0287 31 ALA j C +42405 O O . ALA AA 31 ? 0.9695 0.6348 0.6626 0.0033 -0.0232 -0.0268 31 ALA j O +42406 C CB . ALA AA 31 ? 0.9171 0.5977 0.6180 0.0014 -0.0259 -0.0281 31 ALA j CB +42407 N N . TYR AA 32 ? 1.0546 0.7092 0.7362 0.0050 -0.0243 -0.0302 32 TYR j N +42408 C CA . TYR AA 32 ? 1.0008 0.6484 0.6767 0.0093 -0.0226 -0.0296 32 TYR j CA +42409 C C . TYR AA 32 ? 0.9566 0.5919 0.6250 0.0073 -0.0229 -0.0310 32 TYR j C +42410 O O . TYR AA 32 ? 1.0829 0.7111 0.7456 0.0109 -0.0216 -0.0307 32 TYR j O +42411 C CB . TYR AA 32 ? 0.9730 0.6205 0.6452 0.0149 -0.0218 -0.0298 32 TYR j CB +42412 C CG . TYR AA 32 ? 0.9743 0.6333 0.6535 0.0174 -0.0210 -0.0282 32 TYR j CG +42413 C CD1 . TYR AA 32 ? 1.0089 0.6718 0.6911 0.0211 -0.0193 -0.0261 32 TYR j CD1 +42414 C CD2 . TYR AA 32 ? 1.0990 0.7649 0.7818 0.0160 -0.0221 -0.0287 32 TYR j CD2 +42415 C CE1 . TYR AA 32 ? 1.0195 0.6929 0.7082 0.0233 -0.0186 -0.0246 32 TYR j CE1 +42416 C CE2 . TYR AA 32 ? 1.1783 0.8544 0.8674 0.0182 -0.0213 -0.0271 32 TYR j CE2 +42417 C CZ . TYR AA 32 ? 1.1356 0.8155 0.8277 0.0217 -0.0195 -0.0251 32 TYR j CZ +42418 O OH . TYR AA 32 ? 0.9624 0.6523 0.6608 0.0237 -0.0186 -0.0236 32 TYR j OH +42419 N N . ALA AA 33 ? 0.9926 0.6253 0.6610 0.0017 -0.0244 -0.0325 33 ALA j N +42420 C CA . ALA AA 33 ? 1.0283 0.6489 0.6891 -0.0005 -0.0247 -0.0342 33 ALA j CA +42421 C C . ALA AA 33 ? 0.9539 0.5749 0.6184 -0.0072 -0.0258 -0.0348 33 ALA j C +42422 O O . ALA AA 33 ? 1.0961 0.7249 0.7668 -0.0105 -0.0272 -0.0352 33 ALA j O +42423 C CB . ALA AA 33 ? 0.9048 0.5193 0.5585 0.0005 -0.0258 -0.0367 33 ALA j CB +42424 N N . GLY AA 34 ? 1.0008 0.6131 0.6613 -0.0093 -0.0252 -0.0349 34 GLY j N +42425 C CA . GLY AA 34 ? 1.0584 0.6705 0.7220 -0.0159 -0.0261 -0.0356 34 GLY j CA +42426 C C . GLY AA 34 ? 1.1248 0.7464 0.7974 -0.0177 -0.0255 -0.0335 34 GLY j C +42427 O O . GLY AA 34 ? 1.0367 0.6618 0.7115 -0.0141 -0.0241 -0.0312 34 GLY j O +42428 N N . LEU AA 35 ? 1.0479 0.6737 0.7259 -0.0235 -0.0267 -0.0343 35 LEU j N +42429 C CA . LEU AA 35 ? 1.1428 0.7780 0.8297 -0.0256 -0.0263 -0.0325 35 LEU j CA +42430 C C . LEU AA 35 ? 1.0834 0.7293 0.7761 -0.0215 -0.0261 -0.0308 35 LEU j C +42431 O O . LEU AA 35 ? 0.9727 0.6221 0.6654 -0.0195 -0.0271 -0.0316 35 LEU j O +42432 C CB . LEU AA 35 ? 1.0411 0.6803 0.7332 -0.0320 -0.0279 -0.0340 35 LEU j CB +42433 C CG . LEU AA 35 ? 1.1501 0.7802 0.8382 -0.0371 -0.0280 -0.0357 35 LEU j CG +42434 C CD1 . LEU AA 35 ? 1.0446 0.6815 0.7401 -0.0431 -0.0293 -0.0367 35 LEU j CD1 +42435 C CD2 . LEU AA 35 ? 1.1464 0.7694 0.8310 -0.0366 -0.0258 -0.0340 35 LEU j CD2 +42436 N N . GLY AA 36 ? 0.9714 0.6224 0.6688 -0.0204 -0.0248 -0.0284 36 GLY j N +42437 C CA . GLY AA 36 ? 0.8662 0.5278 0.5699 -0.0172 -0.0246 -0.0267 36 GLY j CA +42438 C C . GLY AA 36 ? 1.1106 0.7713 0.8108 -0.0107 -0.0235 -0.0257 36 GLY j C +42439 O O . GLY AA 36 ? 0.9391 0.6085 0.6443 -0.0079 -0.0232 -0.0244 36 GLY j O +42440 N N . SER AA 37 ? 0.9630 0.6132 0.6547 -0.0082 -0.0228 -0.0263 37 SER j N +42441 C CA . SER AA 37 ? 0.9844 0.6334 0.6723 -0.0019 -0.0218 -0.0257 37 SER j CA +42442 C C . SER AA 37 ? 0.9198 0.5688 0.6081 0.0016 -0.0201 -0.0235 37 SER j C +42443 O O . SER AA 37 ? 0.9184 0.5676 0.6047 0.0070 -0.0192 -0.0228 37 SER j O +42444 C CB . SER AA 37 ? 1.0034 0.6412 0.6816 -0.0005 -0.0220 -0.0277 37 SER j CB +42445 O OG . SER AA 37 ? 1.0390 0.6665 0.7115 -0.0015 -0.0213 -0.0278 37 SER j OG +42446 N N . SER AA 38 ? 0.9547 0.6033 0.6454 -0.0014 -0.0197 -0.0224 38 SER j N +42447 C CA . SER AA 38 ? 0.9388 0.5861 0.6293 0.0012 -0.0183 -0.0204 38 SER j CA +42448 C C . SER AA 38 ? 1.1193 0.7537 0.8001 0.0034 -0.0175 -0.0208 38 SER j C +42449 O O . SER AA 38 ? 1.0027 0.6345 0.6821 0.0055 -0.0165 -0.0192 38 SER j O +42450 C CB . SER AA 38 ? 0.9373 0.5933 0.6324 0.0063 -0.0176 -0.0186 38 SER j CB +42451 O OG . SER AA 38 ? 0.9673 0.6193 0.6568 0.0117 -0.0170 -0.0190 38 SER j OG +42452 N N . LEU AA 39 ? 1.0343 0.6605 0.7082 0.0031 -0.0181 -0.0229 39 LEU j N +42453 C CA . LEU AA 39 ? 1.0777 0.6915 0.7420 0.0058 -0.0173 -0.0233 39 LEU j CA +42454 C C . LEU AA 39 ? 1.1389 0.7429 0.7986 0.0008 -0.0174 -0.0242 39 LEU j C +42455 O O . LEU AA 39 ? 1.0487 0.6536 0.7105 -0.0046 -0.0184 -0.0256 39 LEU j O +42456 C CB . LEU AA 39 ? 1.0702 0.6802 0.7289 0.0091 -0.0177 -0.0251 39 LEU j CB +42457 C CG . LEU AA 39 ? 1.1000 0.7190 0.7625 0.0142 -0.0174 -0.0244 39 LEU j CG +42458 C CD1 . LEU AA 39 ? 1.1642 0.7796 0.8214 0.0161 -0.0179 -0.0265 39 LEU j CD1 +42459 C CD2 . LEU AA 39 ? 1.1276 0.7472 0.7896 0.0199 -0.0160 -0.0225 39 LEU j CD2 +42460 O OXT . LEU AA 39 ? 1.1961 0.7912 0.8499 0.0021 -0.0164 -0.0236 39 LEU j OXT +42461 N N . LYS BA 1 ? 1.2335 0.8398 0.8371 0.1103 0.0040 -0.0348 10 LYS k N +42462 C CA . LYS BA 1 ? 1.3064 0.9031 0.9012 0.1087 0.0034 -0.0370 10 LYS k CA +42463 C C . LYS BA 1 ? 1.1261 0.7249 0.7184 0.1130 0.0055 -0.0382 10 LYS k C +42464 O O . LYS BA 1 ? 1.2479 0.8524 0.8430 0.1185 0.0076 -0.0377 10 LYS k O +42465 C CB . LYS BA 1 ? 1.2087 0.7907 0.7936 0.1095 0.0025 -0.0382 10 LYS k CB +42466 C CG . LYS BA 1 ? 1.7197 1.2963 1.3041 0.1033 0.0002 -0.0378 10 LYS k CG +42467 C CD . LYS BA 1 ? 1.7477 1.3266 1.3367 0.1037 -0.0001 -0.0358 10 LYS k CD +42468 C CE . LYS BA 1 ? 1.7503 1.3313 1.3441 0.0966 -0.0020 -0.0348 10 LYS k CE +42469 N NZ . LYS BA 1 ? 1.5654 1.1590 1.1680 0.0935 -0.0020 -0.0341 10 LYS k NZ +42470 N N . LEU BA 2 ? 1.1171 0.7115 0.7042 0.1105 0.0050 -0.0398 11 LEU k N +42471 C CA . LEU BA 2 ? 1.2566 0.8496 0.8386 0.1147 0.0068 -0.0414 11 LEU k CA +42472 C C . LEU BA 2 ? 1.2495 0.8311 0.8221 0.1200 0.0076 -0.0428 11 LEU k C +42473 O O . LEU BA 2 ? 1.2138 0.7854 0.7811 0.1187 0.0060 -0.0432 11 LEU k O +42474 C CB . LEU BA 2 ? 1.2465 0.8361 0.8243 0.1105 0.0057 -0.0429 11 LEU k CB +42475 C CG . LEU BA 2 ? 1.2795 0.8782 0.8645 0.1049 0.0046 -0.0419 11 LEU k CG +42476 C CD1 . LEU BA 2 ? 1.1432 0.7354 0.7217 0.1013 0.0031 -0.0439 11 LEU k CD1 +42477 C CD2 . LEU BA 2 ? 1.1799 0.7918 0.7728 0.1074 0.0069 -0.0406 11 LEU k CD2 +42478 N N . PRO BA 3 ? 1.2983 0.8809 0.8683 0.1260 0.0100 -0.0436 12 PRO k N +42479 C CA . PRO BA 3 ? 1.4337 1.0048 0.9939 0.1311 0.0107 -0.0452 12 PRO k CA +42480 C C . PRO BA 3 ? 1.2484 0.8058 0.7984 0.1277 0.0087 -0.0472 12 PRO k C +42481 O O . PRO BA 3 ? 1.4529 1.0103 1.0020 0.1232 0.0077 -0.0480 12 PRO k O +42482 C CB . PRO BA 3 ? 1.2904 0.8662 0.8500 0.1368 0.0136 -0.0460 12 PRO k CB +42483 C CG . PRO BA 3 ? 1.4692 1.0608 1.0406 0.1359 0.0148 -0.0440 12 PRO k CG +42484 C CD . PRO BA 3 ? 1.3637 0.9581 0.9397 0.1283 0.0124 -0.0431 12 PRO k CD +42485 N N . GLU BA 4 ? 1.4981 1.0437 1.0406 0.1298 0.0082 -0.0480 13 GLU k N +42486 C CA . GLU BA 4 ? 1.3793 0.9112 0.9124 0.1261 0.0061 -0.0498 13 GLU k CA +42487 C C . GLU BA 4 ? 1.5195 1.0466 1.0455 0.1258 0.0063 -0.0521 13 GLU k C +42488 O O . GLU BA 4 ? 1.3213 0.8416 0.8428 0.1205 0.0042 -0.0534 13 GLU k O +42489 C CB . GLU BA 4 ? 1.5976 1.1174 1.1229 0.1298 0.0060 -0.0504 13 GLU k CB +42490 C CG . GLU BA 4 ? 2.0762 1.5807 1.5911 0.1263 0.0041 -0.0522 13 GLU k CG +42491 C CD . GLU BA 4 ? 2.1739 1.6772 1.6920 0.1190 0.0016 -0.0513 13 GLU k CD +42492 O OE1 . GLU BA 4 ? 2.0419 1.5555 1.5698 0.1173 0.0015 -0.0491 13 GLU k OE1 +42493 O OE2 . GLU BA 4 ? 2.1680 1.6602 1.6789 0.1150 -0.0001 -0.0529 13 GLU k OE2 +42494 N N . ALA BA 5 ? 1.3364 0.8674 0.8616 0.1312 0.0087 -0.0527 14 ALA k N +42495 C CA . ALA BA 5 ? 1.2749 0.8018 0.7933 0.1313 0.0091 -0.0548 14 ALA k CA +42496 C C . ALA BA 5 ? 1.6361 1.1692 1.1589 0.1249 0.0076 -0.0546 14 ALA k C +42497 O O . ALA BA 5 ? 1.3311 0.8580 0.8472 0.1228 0.0067 -0.0566 14 ALA k O +42498 C CB . ALA BA 5 ? 1.3300 0.8620 0.8483 0.1382 0.0124 -0.0551 14 ALA k CB +42499 N N . TYR BA 6 ? 1.6602 1.2052 1.1940 0.1218 0.0073 -0.0524 15 TYR k N +42500 C CA . TYR BA 6 ? 1.4993 1.0514 1.0382 0.1163 0.0061 -0.0520 15 TYR k CA +42501 C C . TYR BA 6 ? 1.3779 0.9279 0.9191 0.1092 0.0030 -0.0516 15 TYR k C +42502 O O . TYR BA 6 ? 1.3892 0.9441 0.9341 0.1042 0.0015 -0.0514 15 TYR k O +42503 C CB . TYR BA 6 ? 1.1908 0.7582 0.7405 0.1175 0.0079 -0.0498 15 TYR k CB +42504 C CG . TYR BA 6 ? 1.3131 0.8846 0.8618 0.1238 0.0112 -0.0501 15 TYR k CG +42505 C CD1 . TYR BA 6 ? 1.2602 0.8325 0.8095 0.1300 0.0133 -0.0497 15 TYR k CD1 +42506 C CD2 . TYR BA 6 ? 1.3199 0.8948 0.8675 0.1236 0.0122 -0.0509 15 TYR k CD2 +42507 C CE1 . TYR BA 6 ? 1.2023 0.7789 0.7512 0.1357 0.0165 -0.0500 15 TYR k CE1 +42508 C CE2 . TYR BA 6 ? 1.2058 0.7847 0.7527 0.1292 0.0154 -0.0511 15 TYR k CE2 +42509 C CZ . TYR BA 6 ? 1.3045 0.8844 0.8522 0.1352 0.0176 -0.0507 15 TYR k CZ +42510 O OH . TYR BA 6 ? 1.4041 0.9884 0.9515 0.1408 0.0209 -0.0511 15 TYR k OH +42511 N N . ALA BA 7 ? 1.3439 0.8863 0.8826 0.1087 0.0019 -0.0514 16 ALA k N +42512 C CA . ALA BA 7 ? 1.4144 0.9561 0.9567 0.1024 -0.0006 -0.0506 16 ALA k CA +42513 C C . ALA BA 7 ? 1.3922 0.9294 0.9312 0.0962 -0.0030 -0.0523 16 ALA k C +42514 O O . ALA BA 7 ? 1.4669 1.0077 1.0114 0.0904 -0.0050 -0.0515 16 ALA k O +42515 C CB . ALA BA 7 ? 1.4815 1.0133 1.0193 0.1034 -0.0010 -0.0506 16 ALA k CB +42516 N N . ILE BA 8 ? 1.3729 0.9024 0.9030 0.0973 -0.0032 -0.0547 17 ILE k N +42517 C CA . ILE BA 8 ? 1.5608 1.0863 1.0879 0.0914 -0.0057 -0.0564 17 ILE k CA +42518 C C . ILE BA 8 ? 1.3527 0.8903 0.8878 0.0884 -0.0062 -0.0554 17 ILE k C +42519 O O . ILE BA 8 ? 1.4984 1.0359 1.0345 0.0826 -0.0087 -0.0561 17 ILE k O +42520 C CB . ILE BA 8 ? 1.4906 1.0044 1.0057 0.0934 -0.0059 -0.0593 17 ILE k CB +42521 C CG1 . ILE BA 8 ? 1.4308 0.9492 0.9445 0.0987 -0.0035 -0.0596 17 ILE k CG1 +42522 C CG2 . ILE BA 8 ? 1.7389 1.2399 1.2458 0.0960 -0.0056 -0.0603 17 ILE k CG2 +42523 C CD1 . ILE BA 8 ? 1.7116 1.2292 1.2234 0.1062 -0.0005 -0.0591 17 ILE k CD1 +42524 N N . PHE BA 9 ? 1.3398 0.8878 0.8806 0.0922 -0.0039 -0.0539 18 PHE k N +42525 C CA . PHE BA 9 ? 1.3810 0.9407 0.9294 0.0897 -0.0040 -0.0528 18 PHE k CA +42526 C C . PHE BA 9 ? 1.3835 0.9530 0.9430 0.0864 -0.0046 -0.0503 18 PHE k C +42527 O O . PHE BA 9 ? 1.1924 0.7720 0.7589 0.0842 -0.0048 -0.0491 18 PHE k O +42528 C CB . PHE BA 9 ? 1.5037 1.0697 1.0527 0.0952 -0.0011 -0.0524 18 PHE k CB +42529 C CG . PHE BA 9 ? 1.8065 1.3639 1.3449 0.0981 -0.0005 -0.0548 18 PHE k CG +42530 C CD1 . PHE BA 9 ? 1.7549 1.3125 1.2906 0.0956 -0.0016 -0.0561 18 PHE k CD1 +42531 C CD2 . PHE BA 9 ? 1.7863 1.3353 1.3172 0.1034 0.0011 -0.0559 18 PHE k CD2 +42532 C CE1 . PHE BA 9 ? 1.6794 1.2290 1.2050 0.0982 -0.0012 -0.0584 18 PHE k CE1 +42533 C CE2 . PHE BA 9 ? 1.8326 1.3735 1.3535 0.1061 0.0017 -0.0583 18 PHE k CE2 +42534 C CZ . PHE BA 9 ? 1.7662 1.3074 1.2844 0.1035 0.0006 -0.0595 18 PHE k CZ +42535 N N . ASP BA 10 ? 1.3574 0.9239 0.9183 0.0860 -0.0049 -0.0494 19 ASP k N +42536 C CA . ASP BA 10 ? 1.3265 0.9017 0.8975 0.0830 -0.0055 -0.0471 19 ASP k CA +42537 C C . ASP BA 10 ? 1.3828 0.9630 0.9588 0.0765 -0.0078 -0.0469 19 ASP k C +42538 O O . ASP BA 10 ? 1.1929 0.7847 0.7780 0.0754 -0.0074 -0.0451 19 ASP k O +42539 C CB . ASP BA 10 ? 1.2541 0.8220 0.8232 0.0829 -0.0059 -0.0467 19 ASP k CB +42540 C CG . ASP BA 10 ? 1.4976 1.0744 1.0760 0.0833 -0.0052 -0.0441 19 ASP k CG +42541 O OD1 . ASP BA 10 ? 1.5646 1.1443 1.1442 0.0888 -0.0030 -0.0431 19 ASP k OD1 +42542 O OD2 . ASP BA 10 ? 1.7831 1.3640 1.3676 0.0781 -0.0068 -0.0430 19 ASP k OD2 +42543 N N . PRO BA 11 ? 1.3831 0.9556 0.9540 0.0719 -0.0103 -0.0488 20 PRO k N +42544 C CA . PRO BA 11 ? 1.1236 0.7018 0.6999 0.0659 -0.0125 -0.0487 20 PRO k CA +42545 C C . PRO BA 11 ? 1.2516 0.8381 0.8306 0.0665 -0.0121 -0.0486 20 PRO k C +42546 O O . PRO BA 11 ? 1.2423 0.8369 0.8284 0.0626 -0.0133 -0.0476 20 PRO k O +42547 C CB . PRO BA 11 ? 1.3229 0.8900 0.8917 0.0619 -0.0151 -0.0513 20 PRO k CB +42548 C CG . PRO BA 11 ? 1.3940 0.9500 0.9553 0.0649 -0.0142 -0.0520 20 PRO k CG +42549 C CD . PRO BA 11 ? 1.2597 0.8182 0.8202 0.0719 -0.0112 -0.0511 20 PRO k CD +42550 N N . LEU BA 12 ? 1.2990 0.8835 0.8725 0.0713 -0.0103 -0.0495 21 LEU k N +42551 C CA . LEU BA 12 ? 1.2850 0.8778 0.8612 0.0723 -0.0095 -0.0490 21 LEU k CA +42552 C C . LEU BA 12 ? 1.2185 0.8232 0.8043 0.0745 -0.0072 -0.0462 21 LEU k C +42553 O O . LEU BA 12 ? 1.1795 0.7936 0.7720 0.0723 -0.0075 -0.0450 21 LEU k O +42554 C CB . LEU BA 12 ? 1.1835 0.7706 0.7507 0.0768 -0.0080 -0.0508 21 LEU k CB +42555 C CG . LEU BA 12 ? 1.2330 0.8277 0.8019 0.0781 -0.0068 -0.0503 21 LEU k CG +42556 C CD1 . LEU BA 12 ? 1.1566 0.7540 0.7275 0.0726 -0.0097 -0.0508 21 LEU k CD1 +42557 C CD2 . LEU BA 12 ? 1.1579 0.7469 0.7178 0.0832 -0.0049 -0.0520 21 LEU k CD2 +42558 N N . VAL BA 13 ? 1.1041 0.7086 0.6905 0.0788 -0.0051 -0.0453 22 VAL k N +42559 C CA . VAL BA 13 ? 1.1294 0.7451 0.7248 0.0810 -0.0030 -0.0429 22 VAL k CA +42560 C C . VAL BA 13 ? 1.2088 0.8319 0.8135 0.0761 -0.0046 -0.0411 22 VAL k C +42561 O O . VAL BA 13 ? 1.1154 0.7493 0.7282 0.0760 -0.0036 -0.0392 22 VAL k O +42562 C CB . VAL BA 13 ? 1.1720 0.7851 0.7659 0.0865 -0.0008 -0.0424 22 VAL k CB +42563 C CG1 . VAL BA 13 ? 1.1371 0.7613 0.7412 0.0879 0.0007 -0.0399 22 VAL k CG1 +42564 C CG2 . VAL BA 13 ? 1.1836 0.7934 0.7707 0.0920 0.0015 -0.0437 22 VAL k CG2 +42565 N N . ASP BA 14 ? 1.0931 0.7103 0.6966 0.0718 -0.0070 -0.0417 23 ASP k N +42566 C CA . ASP BA 14 ? 1.2581 0.8815 0.8699 0.0669 -0.0086 -0.0402 23 ASP k CA +42567 C C . ASP BA 14 ? 1.2714 0.9027 0.8880 0.0635 -0.0097 -0.0398 23 ASP k C +42568 O O . ASP BA 14 ? 1.1888 0.8289 0.8141 0.0610 -0.0100 -0.0380 23 ASP k O +42569 C CB . ASP BA 14 ? 1.2823 0.8969 0.8907 0.0625 -0.0110 -0.0413 23 ASP k CB +42570 C CG . ASP BA 14 ? 1.1953 0.8039 0.8015 0.0647 -0.0103 -0.0409 23 ASP k CG +42571 O OD1 . ASP BA 14 ? 1.2468 0.8588 0.8548 0.0697 -0.0080 -0.0397 23 ASP k OD1 +42572 O OD2 . ASP BA 14 ? 1.3473 0.9479 0.9499 0.0615 -0.0119 -0.0418 23 ASP k OD2 +42573 N N . VAL BA 15 ? 1.1872 0.8152 0.7980 0.0634 -0.0103 -0.0416 24 VAL k N +42574 C CA . VAL BA 15 ? 1.1188 0.7522 0.7327 0.0596 -0.0120 -0.0416 24 VAL k CA +42575 C C . VAL BA 15 ? 1.2061 0.8476 0.8225 0.0626 -0.0099 -0.0406 24 VAL k C +42576 O O . VAL BA 15 ? 1.1532 0.8018 0.7746 0.0598 -0.0109 -0.0399 24 VAL k O +42577 C CB . VAL BA 15 ? 1.3829 1.0074 0.9890 0.0568 -0.0146 -0.0443 24 VAL k CB +42578 C CG1 . VAL BA 15 ? 1.3156 0.9376 0.9148 0.0599 -0.0137 -0.0457 24 VAL k CG1 +42579 C CG2 . VAL BA 15 ? 1.5310 1.1590 1.1419 0.0507 -0.0175 -0.0444 24 VAL k CG2 +42580 N N . LEU BA 16 ? 1.0467 0.6876 0.6601 0.0680 -0.0071 -0.0405 25 LEU k N +42581 C CA . LEU BA 16 ? 1.0590 0.7071 0.6743 0.0709 -0.0048 -0.0397 25 LEU k CA +42582 C C . LEU BA 16 ? 1.1625 0.8228 0.7885 0.0694 -0.0042 -0.0372 25 LEU k C +42583 O O . LEU BA 16 ? 1.2072 0.8727 0.8347 0.0686 -0.0040 -0.0368 25 LEU k O +42584 C CB . LEU BA 16 ? 1.0869 0.7329 0.6983 0.0771 -0.0016 -0.0398 25 LEU k CB +42585 C CG . LEU BA 16 ? 1.3154 0.9497 0.9156 0.0799 -0.0015 -0.0423 25 LEU k CG +42586 C CD1 . LEU BA 16 ? 1.0630 0.6979 0.6610 0.0863 0.0021 -0.0421 25 LEU k CD1 +42587 C CD2 . LEU BA 16 ? 1.1342 0.7639 0.7278 0.0778 -0.0032 -0.0442 25 LEU k CD2 +42588 N N . PRO BA 17 ? 1.1629 0.8279 0.7960 0.0690 -0.0038 -0.0355 26 PRO k N +42589 C CA . PRO BA 17 ? 1.1880 0.8648 0.8309 0.0682 -0.0028 -0.0331 26 PRO k CA +42590 C C . PRO BA 17 ? 0.9526 0.6339 0.5989 0.0635 -0.0049 -0.0328 26 PRO k C +42591 O O . PRO BA 17 ? 1.0034 0.6933 0.6553 0.0636 -0.0038 -0.0313 26 PRO k O +42592 C CB . PRO BA 17 ? 1.0314 0.7101 0.6801 0.0676 -0.0030 -0.0318 26 PRO k CB +42593 C CG . PRO BA 17 ? 1.1538 0.8231 0.7955 0.0707 -0.0025 -0.0331 26 PRO k CG +42594 C CD . PRO BA 17 ? 1.1517 0.8115 0.7839 0.0699 -0.0039 -0.0355 26 PRO k CD +42595 N N . VAL BA 18 ? 1.0806 0.7559 0.7233 0.0596 -0.0079 -0.0343 27 VAL k N +42596 C CA . VAL BA 18 ? 1.1303 0.8093 0.7760 0.0551 -0.0103 -0.0343 27 VAL k CA +42597 C C . VAL BA 18 ? 1.2122 0.8922 0.8542 0.0561 -0.0100 -0.0349 27 VAL k C +42598 O O . VAL BA 18 ? 1.1911 0.8763 0.8367 0.0532 -0.0113 -0.0344 27 VAL k O +42599 C CB . VAL BA 18 ? 1.1622 0.8340 0.8050 0.0509 -0.0135 -0.0360 27 VAL k CB +42600 C CG1 . VAL BA 18 ? 1.5184 1.1950 1.1659 0.0460 -0.0162 -0.0358 27 VAL k CG1 +42601 C CG2 . VAL BA 18 ? 1.5286 1.1980 1.1735 0.0505 -0.0135 -0.0355 27 VAL k CG2 +42602 N N . ILE BA 19 ? 1.1670 0.8419 0.8015 0.0601 -0.0082 -0.0360 28 ILE k N +42603 C CA . ILE BA 19 ? 1.2280 0.9017 0.8571 0.0607 -0.0083 -0.0370 28 ILE k CA +42604 C C . ILE BA 19 ? 1.0842 0.7677 0.7191 0.0608 -0.0069 -0.0351 28 ILE k C +42605 O O . ILE BA 19 ? 1.1185 0.8029 0.7522 0.0587 -0.0085 -0.0355 28 ILE k O +42606 C CB . ILE BA 19 ? 1.3295 0.9957 0.9494 0.0653 -0.0064 -0.0386 28 ILE k CB +42607 C CG1 . ILE BA 19 ? 1.2122 0.8676 0.8252 0.0645 -0.0083 -0.0408 28 ILE k CG1 +42608 C CG2 . ILE BA 19 ? 1.1592 0.8245 0.7734 0.0662 -0.0062 -0.0395 28 ILE k CG2 +42609 C CD1 . ILE BA 19 ? 1.1730 0.8204 0.7763 0.0689 -0.0067 -0.0426 28 ILE k CD1 +42610 N N . PRO BA 20 ? 1.2469 0.9378 0.8881 0.0632 -0.0040 -0.0331 29 PRO k N +42611 C CA . PRO BA 20 ? 1.1976 0.8977 0.8446 0.0626 -0.0028 -0.0312 29 PRO k CA +42612 C C . PRO BA 20 ? 1.1043 0.8083 0.7564 0.0576 -0.0059 -0.0307 29 PRO k C +42613 O O . PRO BA 20 ? 1.1224 0.8298 0.7747 0.0567 -0.0062 -0.0302 29 PRO k O +42614 C CB . PRO BA 20 ? 1.1744 0.8815 0.8285 0.0651 0.0001 -0.0293 29 PRO k CB +42615 C CG . PRO BA 20 ? 1.1033 0.8041 0.7525 0.0688 0.0015 -0.0304 29 PRO k CG +42616 C CD . PRO BA 20 ? 1.2882 0.9795 0.9313 0.0666 -0.0015 -0.0324 29 PRO k CD +42617 N N . VAL BA 21 ? 1.0619 0.7649 0.7173 0.0545 -0.0082 -0.0308 30 VAL k N +42618 C CA . VAL BA 21 ? 1.1961 0.9025 0.8561 0.0498 -0.0111 -0.0304 30 VAL k CA +42619 C C . VAL BA 21 ? 1.0712 0.7726 0.7246 0.0481 -0.0137 -0.0323 30 VAL k C +42620 O O . VAL BA 21 ? 1.0981 0.8037 0.7540 0.0458 -0.0152 -0.0319 30 VAL k O +42621 C CB . VAL BA 21 ? 1.1749 0.8805 0.8392 0.0468 -0.0130 -0.0304 30 VAL k CB +42622 C CG1 . VAL BA 21 ? 1.0951 0.8041 0.7641 0.0418 -0.0161 -0.0303 30 VAL k CG1 +42623 C CG2 . VAL BA 21 ? 1.1451 0.8565 0.8164 0.0484 -0.0106 -0.0284 30 VAL k CG2 +42624 N N . LEU BA 22 ? 1.2476 0.9399 0.8923 0.0495 -0.0142 -0.0345 31 LEU k N +42625 C CA . LEU BA 22 ? 1.1274 0.8143 0.7652 0.0480 -0.0167 -0.0366 31 LEU k CA +42626 C C . LEU BA 22 ? 1.0880 0.7781 0.7236 0.0498 -0.0156 -0.0360 31 LEU k C +42627 O O . LEU BA 22 ? 1.0534 0.7427 0.6867 0.0476 -0.0181 -0.0369 31 LEU k O +42628 C CB . LEU BA 22 ? 1.1566 0.8329 0.7852 0.0496 -0.0170 -0.0390 31 LEU k CB +42629 C CG . LEU BA 22 ? 1.2456 0.9173 0.8751 0.0472 -0.0187 -0.0398 31 LEU k CG +42630 C CD1 . LEU BA 22 ? 1.2372 0.8977 0.8568 0.0485 -0.0193 -0.0424 31 LEU k CD1 +42631 C CD2 . LEU BA 22 ? 1.2106 0.8852 0.8452 0.0419 -0.0222 -0.0400 31 LEU k CD2 +42632 N N . PHE BA 23 ? 0.9979 0.6915 0.6342 0.0536 -0.0118 -0.0346 32 PHE k N +42633 C CA . PHE BA 23 ? 1.0215 0.7181 0.6557 0.0552 -0.0104 -0.0339 32 PHE k CA +42634 C C . PHE BA 23 ? 1.1001 0.8044 0.7411 0.0521 -0.0118 -0.0323 32 PHE k C +42635 O O . PHE BA 23 ? 1.1878 0.8921 0.8256 0.0516 -0.0129 -0.0326 32 PHE k O +42636 C CB . PHE BA 23 ? 1.0366 0.7360 0.6711 0.0597 -0.0058 -0.0327 32 PHE k CB +42637 C CG . PHE BA 23 ? 1.2805 0.9720 0.9057 0.0635 -0.0043 -0.0344 32 PHE k CG +42638 C CD1 . PHE BA 23 ? 1.2515 0.9397 0.8690 0.0653 -0.0036 -0.0353 32 PHE k CD1 +42639 C CD2 . PHE BA 23 ? 1.2311 0.9179 0.8547 0.0652 -0.0037 -0.0353 32 PHE k CD2 +42640 C CE1 . PHE BA 23 ? 1.1773 0.8578 0.7859 0.0688 -0.0022 -0.0371 32 PHE k CE1 +42641 C CE2 . PHE BA 23 ? 1.1765 0.8557 0.7913 0.0687 -0.0023 -0.0371 32 PHE k CE2 +42642 C CZ . PHE BA 23 ? 1.1668 0.8430 0.7742 0.0705 -0.0015 -0.0380 32 PHE k CZ +42643 N N . LEU BA 24 ? 1.1854 0.8961 0.8357 0.0501 -0.0119 -0.0307 33 LEU k N +42644 C CA . LEU BA 24 ? 1.1006 0.8184 0.7574 0.0471 -0.0134 -0.0293 33 LEU k CA +42645 C C . LEU BA 24 ? 1.0894 0.8040 0.7441 0.0434 -0.0177 -0.0309 33 LEU k C +42646 O O . LEU BA 24 ? 1.0054 0.7225 0.6602 0.0421 -0.0191 -0.0306 33 LEU k O +42647 C CB . LEU BA 24 ? 1.1083 0.8329 0.7750 0.0457 -0.0126 -0.0273 33 LEU k CB +42648 C CG . LEU BA 24 ? 1.0433 0.7746 0.7173 0.0421 -0.0146 -0.0261 33 LEU k CG +42649 C CD1 . LEU BA 24 ? 0.9984 0.7345 0.6729 0.0430 -0.0132 -0.0247 33 LEU k CD1 +42650 C CD2 . LEU BA 24 ? 1.0911 0.8281 0.7742 0.0407 -0.0141 -0.0245 33 LEU k CD2 +42651 N N . ALA BA 25 ? 0.9657 0.6748 0.6188 0.0416 -0.0199 -0.0326 34 ALA k N +42652 C CA . ALA BA 25 ? 1.0890 0.7950 0.7401 0.0380 -0.0241 -0.0344 34 ALA k CA +42653 C C . ALA BA 25 ? 1.2774 0.9785 0.9198 0.0393 -0.0251 -0.0360 34 ALA k C +42654 O O . ALA BA 25 ? 1.1843 0.8862 0.8263 0.0369 -0.0281 -0.0367 34 ALA k O +42655 C CB . ALA BA 25 ? 1.1169 0.8168 0.7667 0.0363 -0.0257 -0.0361 34 ALA k CB +42656 N N . LEU BA 26 ? 1.0691 0.7649 0.7040 0.0431 -0.0228 -0.0367 35 LEU k N +42657 C CA . LEU BA 26 ? 1.1655 0.8557 0.7912 0.0444 -0.0237 -0.0384 35 LEU k CA +42658 C C . LEU BA 26 ? 1.2038 0.8992 0.8302 0.0448 -0.0235 -0.0371 35 LEU k C +42659 O O . LEU BA 26 ? 1.1615 0.8540 0.7825 0.0441 -0.0259 -0.0384 35 LEU k O +42660 C CB . LEU BA 26 ? 1.0695 0.7537 0.6876 0.0488 -0.0207 -0.0392 35 LEU k CB +42661 C CG . LEU BA 26 ? 1.3023 0.9794 0.9097 0.0505 -0.0215 -0.0412 35 LEU k CG +42662 C CD1 . LEU BA 26 ? 1.0154 0.6859 0.6184 0.0474 -0.0259 -0.0440 35 LEU k CD1 +42663 C CD2 . LEU BA 26 ? 1.0134 0.6856 0.6139 0.0551 -0.0179 -0.0417 35 LEU k CD2 +42664 N N . ALA BA 27 ? 1.1497 0.8526 0.7825 0.0458 -0.0206 -0.0345 36 ALA k N +42665 C CA . ALA BA 27 ? 1.1068 0.8146 0.7405 0.0460 -0.0202 -0.0330 36 ALA k CA +42666 C C . ALA BA 27 ? 1.1205 0.8303 0.7569 0.0422 -0.0245 -0.0334 36 ALA k C +42667 O O . ALA BA 27 ? 1.1792 0.8897 0.8127 0.0423 -0.0255 -0.0333 36 ALA k O +42668 C CB . ALA BA 27 ? 1.0106 0.7264 0.6519 0.0472 -0.0165 -0.0302 36 ALA k CB +42669 N N . PHE BA 28 ? 1.0191 0.7296 0.6606 0.0389 -0.0270 -0.0341 37 PHE k N +42670 C CA . PHE BA 28 ? 1.1374 0.8500 0.7818 0.0353 -0.0312 -0.0347 37 PHE k CA +42671 C C . PHE BA 28 ? 1.1011 0.8066 0.7376 0.0343 -0.0347 -0.0376 37 PHE k C +42672 O O . PHE BA 28 ? 1.2068 0.9134 0.8426 0.0328 -0.0378 -0.0382 37 PHE k O +42673 C CB . PHE BA 28 ? 0.9882 0.7050 0.6416 0.0320 -0.0323 -0.0342 37 PHE k CB +42674 C CG . PHE BA 28 ? 1.1256 0.8508 0.7876 0.0319 -0.0302 -0.0314 37 PHE k CG +42675 C CD1 . PHE BA 28 ? 1.1418 0.8690 0.8063 0.0343 -0.0262 -0.0298 37 PHE k CD1 +42676 C CD2 . PHE BA 28 ? 1.1411 0.8723 0.8086 0.0297 -0.0320 -0.0304 37 PHE k CD2 +42677 C CE1 . PHE BA 28 ? 1.2394 0.9744 0.9117 0.0342 -0.0243 -0.0273 37 PHE k CE1 +42678 C CE2 . PHE BA 28 ? 1.1092 0.8479 0.7843 0.0296 -0.0300 -0.0278 37 PHE k CE2 +42679 C CZ . PHE BA 28 ? 1.2132 0.9538 0.8907 0.0318 -0.0261 -0.0263 37 PHE k CZ +42680 N N . VAL BA 29 ? 1.1006 0.7987 0.7313 0.0353 -0.0346 -0.0395 38 VAL k N +42681 C CA . VAL BA 29 ? 1.0343 0.7249 0.6563 0.0349 -0.0376 -0.0424 38 VAL k CA +42682 C C . VAL BA 29 ? 1.2299 0.9190 0.8448 0.0376 -0.0371 -0.0423 38 VAL k C +42683 O O . VAL BA 29 ? 1.1032 0.7915 0.7152 0.0363 -0.0404 -0.0435 38 VAL k O +42684 C CB . VAL BA 29 ? 1.1516 0.8340 0.7679 0.0359 -0.0368 -0.0443 38 VAL k CB +42685 C CG1 . VAL BA 29 ? 1.1182 0.7925 0.7249 0.0358 -0.0398 -0.0473 38 VAL k CG1 +42686 C CG2 . VAL BA 29 ? 1.0503 0.7334 0.6730 0.0329 -0.0377 -0.0444 38 VAL k CG2 +42687 N N . TRP BA 30 ? 1.0306 0.7199 0.6430 0.0414 -0.0328 -0.0409 39 TRP k N +42688 C CA . TRP BA 30 ? 1.1454 0.8333 0.7510 0.0442 -0.0315 -0.0405 39 TRP k CA +42689 C C . TRP BA 30 ? 1.2478 0.9417 0.8571 0.0428 -0.0331 -0.0391 39 TRP k C +42690 O O . TRP BA 30 ? 1.3535 1.0447 0.9565 0.0432 -0.0352 -0.0400 39 TRP k O +42691 C CB . TRP BA 30 ? 1.0952 0.7840 0.6999 0.0481 -0.0262 -0.0388 39 TRP k CB +42692 C CG . TRP BA 30 ? 1.2408 0.9305 0.8411 0.0507 -0.0240 -0.0376 39 TRP k CG +42693 C CD1 . TRP BA 30 ? 1.3683 1.0523 0.9588 0.0523 -0.0251 -0.0390 39 TRP k CD1 +42694 C CD2 . TRP BA 30 ? 1.2570 0.9535 0.8622 0.0522 -0.0203 -0.0348 39 TRP k CD2 +42695 N NE1 . TRP BA 30 ? 1.1810 0.8677 0.7698 0.0546 -0.0221 -0.0371 39 TRP k NE1 +42696 C CE2 . TRP BA 30 ? 1.1281 0.8225 0.7258 0.0545 -0.0191 -0.0345 39 TRP k CE2 +42697 C CE3 . TRP BA 30 ? 1.1117 0.8158 0.7266 0.0517 -0.0178 -0.0324 39 TRP k CE3 +42698 C CZ2 . TRP BA 30 ? 1.0538 0.7532 0.6536 0.0562 -0.0153 -0.0320 39 TRP k CZ2 +42699 C CZ3 . TRP BA 30 ? 1.1724 0.8817 0.7895 0.0534 -0.0143 -0.0300 39 TRP k CZ3 +42700 C CH2 . TRP BA 30 ? 1.2582 0.9652 0.8679 0.0555 -0.0130 -0.0298 39 TRP k CH2 +42701 N N . GLN BA 31 ? 1.1824 0.8842 0.8016 0.0411 -0.0324 -0.0369 40 GLN k N +42702 C CA . GLN BA 31 ? 1.0626 0.7701 0.6853 0.0399 -0.0338 -0.0355 40 GLN k CA +42703 C C . GLN BA 31 ? 1.1075 0.8140 0.7301 0.0367 -0.0392 -0.0374 40 GLN k C +42704 O O . GLN BA 31 ? 1.0921 0.7995 0.7123 0.0367 -0.0411 -0.0373 40 GLN k O +42705 C CB . GLN BA 31 ? 1.0298 0.7457 0.6631 0.0389 -0.0317 -0.0328 40 GLN k CB +42706 C CG . GLN BA 31 ? 1.0314 0.7498 0.6647 0.0421 -0.0266 -0.0305 40 GLN k CG +42707 C CD . GLN BA 31 ? 1.0767 0.7938 0.7033 0.0442 -0.0259 -0.0300 40 GLN k CD +42708 O OE1 . GLN BA 31 ? 1.0643 0.7841 0.6920 0.0429 -0.0280 -0.0294 40 GLN k OE1 +42709 N NE2 . GLN BA 31 ? 1.0824 0.7953 0.7019 0.0476 -0.0227 -0.0301 40 GLN k NE2 +42710 N N . ALA BA 32 ? 1.0304 0.7356 0.6560 0.0340 -0.0416 -0.0391 41 ALA k N +42711 C CA . ALA BA 32 ? 1.1864 0.8906 0.8118 0.0309 -0.0467 -0.0412 41 ALA k CA +42712 C C . ALA BA 32 ? 1.3123 1.0092 0.9267 0.0324 -0.0488 -0.0435 41 ALA k C +42713 O O . ALA BA 32 ? 1.1547 0.8519 0.7675 0.0312 -0.0525 -0.0445 41 ALA k O +42714 C CB . ALA BA 32 ? 1.0442 0.7473 0.6739 0.0277 -0.0485 -0.0427 41 ALA k CB +42715 N N . ALA BA 33 ? 1.0205 0.7108 0.6272 0.0352 -0.0464 -0.0443 42 ALA k N +42716 C CA . ALA BA 33 ? 1.2801 0.9629 0.8758 0.0368 -0.0482 -0.0466 42 ALA k CA +42717 C C . ALA BA 33 ? 1.2773 0.9616 0.8690 0.0388 -0.0480 -0.0454 42 ALA k C +42718 O O . ALA BA 33 ? 1.2319 0.9126 0.8173 0.0387 -0.0514 -0.0471 42 ALA k O +42719 C CB . ALA BA 33 ? 1.0829 0.7587 0.6716 0.0396 -0.0452 -0.0475 42 ALA k CB +42720 N N . VAL BA 34 ? 1.1003 0.7897 0.6955 0.0407 -0.0441 -0.0424 43 VAL k N +42721 C CA . VAL BA 34 ? 1.1781 0.8686 0.7694 0.0426 -0.0435 -0.0410 43 VAL k CA +42722 C C . VAL BA 34 ? 1.0432 0.7412 0.6423 0.0403 -0.0456 -0.0395 43 VAL k C +42723 O O . VAL BA 34 ? 1.1589 0.8597 0.7575 0.0417 -0.0443 -0.0375 43 VAL k O +42724 C CB . VAL BA 34 ? 1.1246 0.8156 0.7138 0.0462 -0.0378 -0.0388 43 VAL k CB +42725 C CG1 . VAL BA 34 ? 1.1507 0.8339 0.7308 0.0490 -0.0358 -0.0404 43 VAL k CG1 +42726 C CG2 . VAL BA 34 ? 1.0980 0.7960 0.6977 0.0454 -0.0346 -0.0365 43 VAL k CG2 +42727 N N . GLY BA 35 ? 1.1404 0.8414 0.7467 0.0367 -0.0489 -0.0405 44 GLY k N +42728 C CA . GLY BA 35 ? 1.0557 0.7634 0.6692 0.0344 -0.0516 -0.0395 44 GLY k CA +42729 C C . GLY BA 35 ? 1.2743 0.9895 0.8958 0.0345 -0.0483 -0.0362 44 GLY k C +42730 O O . GLY BA 35 ? 1.0643 0.7842 0.6894 0.0336 -0.0500 -0.0350 44 GLY k O +42731 N N . PHE BA 36 ? 1.1693 0.8858 0.7938 0.0357 -0.0439 -0.0346 45 PHE k N +42732 C CA . PHE BA 36 ? 1.2121 0.9356 0.8442 0.0359 -0.0406 -0.0315 45 PHE k CA +42733 C C . PHE BA 36 ? 1.1281 0.8531 0.7571 0.0377 -0.0395 -0.0297 45 PHE k C +42734 O O . PHE BA 36 ? 1.1475 0.8787 0.7829 0.0367 -0.0394 -0.0278 45 PHE k O +42735 C CB . PHE BA 36 ? 1.0435 0.7736 0.6864 0.0324 -0.0425 -0.0310 45 PHE k CB +42736 C CG . PHE BA 36 ? 1.2542 0.9834 0.9010 0.0306 -0.0428 -0.0322 45 PHE k CG +42737 C CD1 . PHE BA 36 ? 1.2005 0.9312 0.8509 0.0316 -0.0388 -0.0309 45 PHE k CD1 +42738 C CD2 . PHE BA 36 ? 1.1120 0.8388 0.7588 0.0279 -0.0469 -0.0348 45 PHE k CD2 +42739 C CE1 . PHE BA 36 ? 1.2459 0.9752 0.8993 0.0301 -0.0390 -0.0320 45 PHE k CE1 +42740 C CE2 . PHE BA 36 ? 1.0579 0.7834 0.7078 0.0262 -0.0470 -0.0358 45 PHE k CE2 +42741 C CZ . PHE BA 36 ? 1.0079 0.7344 0.6609 0.0273 -0.0430 -0.0344 45 PHE k CZ +42742 N N . ARG BA 37 ? 1.1160 0.8352 0.7350 0.0405 -0.0385 -0.0304 46 ARG k N +42743 C CA . ARG BA 37 ? 1.2092 0.9285 0.8236 0.0423 -0.0379 -0.0290 46 ARG k CA +42744 C C . ARG BA 37 ? 1.2292 0.9526 0.8466 0.0439 -0.0327 -0.0259 46 ARG k C +42745 O O . ARG BA 37 ? 1.0637 0.7886 0.6846 0.0446 -0.0290 -0.0251 46 ARG k O +42746 C CB . ARG BA 37 ? 1.1416 0.8528 0.7437 0.0447 -0.0386 -0.0307 46 ARG k CB +42747 C CG . ARG BA 37 ? 1.1417 0.8490 0.7387 0.0476 -0.0340 -0.0306 46 ARG k CG +42748 C CD . ARG BA 37 ? 1.2566 0.9551 0.8420 0.0494 -0.0354 -0.0332 46 ARG k CD +42749 N NE . ARG BA 37 ? 1.1825 0.8775 0.7634 0.0522 -0.0308 -0.0331 46 ARG k NE +42750 C CZ . ARG BA 37 ? 1.2477 0.9350 0.8191 0.0541 -0.0310 -0.0353 46 ARG k CZ +42751 N NH1 . ARG BA 37 ? 1.2827 0.9648 0.8476 0.0534 -0.0355 -0.0378 46 ARG k NH1 +42752 N NH2 . ARG BA 37 ? 1.3277 1.0126 0.8960 0.0567 -0.0265 -0.0351 46 ARG k NH2 +42753 O OXT . ARG BA 37 ? 1.0604 0.7856 0.6766 0.0446 -0.0321 -0.0242 46 ARG k OXT +42754 N N . GLU CA 2 ? 1.4728 1.4337 1.4092 0.0349 -0.0821 -0.0020 2 GLU l N +42755 C CA . GLU CA 2 ? 1.7626 1.7215 1.6945 0.0362 -0.0850 -0.0022 2 GLU l CA +42756 C C . GLU CA 2 ? 1.7423 1.6956 1.6686 0.0336 -0.0830 -0.0004 2 GLU l C +42757 O O . GLU CA 2 ? 1.3479 1.3030 1.2772 0.0297 -0.0806 -0.0005 2 GLU l O +42758 C CB . GLU CA 2 ? 1.6289 1.5958 1.5671 0.0357 -0.0877 -0.0051 2 GLU l CB +42759 C CG . GLU CA 2 ? 1.7557 1.7305 1.7023 0.0367 -0.0885 -0.0073 2 GLU l CG +42760 C CD . GLU CA 2 ? 1.8261 1.8056 1.7796 0.0326 -0.0853 -0.0079 2 GLU l CD +42761 O OE1 . GLU CA 2 ? 1.5599 1.5382 1.5143 0.0322 -0.0826 -0.0069 2 GLU l OE1 +42762 O OE2 . GLU CA 2 ? 1.3024 1.2866 1.2601 0.0297 -0.0854 -0.0095 2 GLU l OE2 +42763 N N . PRO CA 3 ? 1.4300 1.3764 1.3480 0.0357 -0.0840 0.0012 3 PRO l N +42764 C CA . PRO CA 3 ? 1.3998 1.3407 1.3122 0.0335 -0.0822 0.0028 3 PRO l CA +42765 C C . PRO CA 3 ? 1.3811 1.3252 1.2950 0.0316 -0.0835 0.0013 3 PRO l C +42766 O O . PRO CA 3 ? 1.1712 1.1162 1.0835 0.0337 -0.0870 0.0001 3 PRO l O +42767 C CB . PRO CA 3 ? 1.3200 1.2533 1.2235 0.0368 -0.0834 0.0046 3 PRO l CB +42768 C CG . PRO CA 3 ? 1.2246 1.1605 1.1291 0.0408 -0.0872 0.0032 3 PRO l CG +42769 C CD . PRO CA 3 ? 1.3270 1.2700 1.2403 0.0403 -0.0868 0.0015 3 PRO l CD +42770 N N . ASN CA 4 ? 1.1834 1.1291 1.1001 0.0276 -0.0809 0.0013 4 ASN l N +42771 C CA . ASN CA 4 ? 1.0739 1.0230 0.9928 0.0256 -0.0820 -0.0003 4 ASN l CA +42772 C C . ASN CA 4 ? 1.0806 1.0237 0.9916 0.0261 -0.0827 0.0008 4 ASN l C +42773 O O . ASN CA 4 ? 1.1138 1.0511 1.0196 0.0252 -0.0801 0.0030 4 ASN l O +42774 C CB . ASN CA 4 ? 0.9400 0.8922 0.8640 0.0213 -0.0789 -0.0005 4 ASN l CB +42775 C CG . ASN CA 4 ? 1.0361 0.9925 0.9635 0.0191 -0.0801 -0.0026 4 ASN l CG +42776 O OD1 . ASN CA 4 ? 0.9525 0.9059 0.8754 0.0185 -0.0806 -0.0023 4 ASN l OD1 +42777 N ND2 . ASN CA 4 ? 0.8066 0.7701 0.7418 0.0177 -0.0804 -0.0046 4 ASN l ND2 +42778 N N . PRO CA 5 ? 0.9826 0.9270 0.8923 0.0275 -0.0861 -0.0007 5 PRO l N +42779 C CA . PRO CA 5 ? 1.1899 1.1283 1.0915 0.0283 -0.0869 0.0003 5 PRO l CA +42780 C C . PRO CA 5 ? 1.1732 1.1113 1.0743 0.0249 -0.0854 0.0001 5 PRO l C +42781 O O . PRO CA 5 ? 1.0669 1.0005 0.9616 0.0255 -0.0861 0.0007 5 PRO l O +42782 C CB . PRO CA 5 ? 1.0821 1.0226 0.9830 0.0315 -0.0916 -0.0015 5 PRO l CB +42783 C CG . PRO CA 5 ? 0.9958 0.9452 0.9062 0.0301 -0.0928 -0.0042 5 PRO l CG +42784 C CD . PRO CA 5 ? 0.9968 0.9484 0.9126 0.0281 -0.0893 -0.0035 5 PRO l CD +42785 N N . ASN CA 6 ? 0.9315 0.8741 0.8391 0.0215 -0.0835 -0.0008 6 ASN l N +42786 C CA . ASN CA 6 ? 1.1147 1.0571 1.0221 0.0184 -0.0822 -0.0010 6 ASN l CA +42787 C C . ASN CA 6 ? 0.9694 0.9068 0.8734 0.0165 -0.0781 0.0013 6 ASN l C +42788 O O . ASN CA 6 ? 1.0301 0.9663 0.9329 0.0142 -0.0768 0.0014 6 ASN l O +42789 C CB . ASN CA 6 ? 0.9381 0.8876 0.8539 0.0157 -0.0822 -0.0033 6 ASN l CB +42790 C CG . ASN CA 6 ? 0.9307 0.8854 0.8498 0.0171 -0.0863 -0.0060 6 ASN l CG +42791 O OD1 . ASN CA 6 ? 1.1680 1.1223 1.0849 0.0170 -0.0885 -0.0071 6 ASN l OD1 +42792 N ND2 . ASN CA 6 ? 0.9041 0.8637 0.8288 0.0183 -0.0874 -0.0070 6 ASN l ND2 +42793 N N . ARG CA 7 ? 0.9596 0.8939 0.8618 0.0175 -0.0763 0.0033 7 ARG l N +42794 C CA . ARG CA 7 ? 1.1904 1.1206 1.0899 0.0157 -0.0725 0.0054 7 ARG l CA +42795 C C . ARG CA 7 ? 1.0903 1.0145 0.9820 0.0161 -0.0721 0.0067 7 ARG l C +42796 O O . ARG CA 7 ? 1.3249 1.2459 1.2112 0.0187 -0.0743 0.0069 7 ARG l O +42797 C CB . ARG CA 7 ? 1.2107 1.1389 1.1100 0.0167 -0.0708 0.0070 7 ARG l CB +42798 C CG . ARG CA 7 ? 1.4912 1.4249 1.3982 0.0155 -0.0699 0.0061 7 ARG l CG +42799 C CD . ARG CA 7 ? 1.5896 1.5206 1.4959 0.0161 -0.0678 0.0079 7 ARG l CD +42800 N NE . ARG CA 7 ? 2.0367 1.9665 1.9437 0.0132 -0.0641 0.0091 7 ARG l NE +42801 C CZ . ARG CA 7 ? 1.7453 1.6721 1.6511 0.0131 -0.0618 0.0108 7 ARG l CZ +42802 N NH1 . ARG CA 7 ? 1.6531 1.5776 1.5567 0.0157 -0.0626 0.0115 7 ARG l NH1 +42803 N NH2 . ARG CA 7 ? 1.6164 1.5427 1.5232 0.0104 -0.0588 0.0117 7 ARG l NH2 +42804 N N . GLN CA 8 ? 1.0919 1.0145 0.9829 0.0135 -0.0692 0.0076 8 GLN l N +42805 C CA . GLN CA 8 ? 1.0322 0.9493 0.9164 0.0134 -0.0680 0.0089 8 GLN l CA +42806 C C . GLN CA 8 ? 1.0327 0.9472 0.9162 0.0115 -0.0640 0.0109 8 GLN l C +42807 O O . GLN CA 8 ? 0.9771 0.8949 0.8661 0.0094 -0.0622 0.0107 8 GLN l O +42808 C CB . GLN CA 8 ? 1.0203 0.9387 0.9046 0.0119 -0.0689 0.0074 8 GLN l CB +42809 C CG . GLN CA 8 ? 1.0897 1.0110 0.9750 0.0132 -0.0729 0.0052 8 GLN l CG +42810 C CD . GLN CA 8 ? 1.2111 1.1276 1.0886 0.0154 -0.0748 0.0055 8 GLN l CD +42811 O OE1 . GLN CA 8 ? 1.2210 1.1319 1.0922 0.0166 -0.0733 0.0075 8 GLN l OE1 +42812 N NE2 . GLN CA 8 ? 1.7601 1.6788 1.6379 0.0159 -0.0780 0.0034 8 GLN l NE2 +42813 N N . PRO CA 9 ? 0.8818 0.7906 0.7587 0.0122 -0.0625 0.0127 9 PRO l N +42814 C CA . PRO CA 9 ? 0.9024 0.8092 0.7789 0.0102 -0.0587 0.0144 9 PRO l CA +42815 C C . PRO CA 9 ? 0.8358 0.7439 0.7137 0.0077 -0.0574 0.0138 9 PRO l C +42816 O O . PRO CA 9 ? 0.8191 0.7274 0.6955 0.0079 -0.0590 0.0126 9 PRO l O +42817 C CB . PRO CA 9 ? 0.7926 0.6929 0.6614 0.0119 -0.0579 0.0164 9 PRO l CB +42818 C CG . PRO CA 9 ? 0.9317 0.8304 0.7961 0.0140 -0.0609 0.0155 9 PRO l CG +42819 C CD . PRO CA 9 ? 0.8922 0.7960 0.7616 0.0148 -0.0642 0.0134 9 PRO l CD +42820 N N . VAL CA 10 ? 0.8263 0.7351 0.7070 0.0056 -0.0544 0.0147 10 VAL l N +42821 C CA . VAL CA 10 ? 0.6993 0.6093 0.5816 0.0032 -0.0527 0.0143 10 VAL l CA +42822 C C . VAL CA 10 ? 0.6654 0.5710 0.5431 0.0028 -0.0498 0.0161 10 VAL l C +42823 O O . VAL CA 10 ? 0.7745 0.6777 0.6503 0.0033 -0.0483 0.0178 10 VAL l O +42824 C CB . VAL CA 10 ? 0.7645 0.6790 0.6539 0.0011 -0.0514 0.0137 10 VAL l CB +42825 C CG1 . VAL CA 10 ? 0.8307 0.7461 0.7216 -0.0012 -0.0497 0.0134 10 VAL l CG1 +42826 C CG2 . VAL CA 10 ? 0.8456 0.7645 0.7397 0.0016 -0.0540 0.0119 10 VAL l CG2 +42827 N N . GLU CA 11 ? 0.6843 0.5891 0.5602 0.0019 -0.0491 0.0159 11 GLU l N +42828 C CA . GLU CA 11 ? 0.7726 0.6737 0.6443 0.0015 -0.0463 0.0175 11 GLU l CA +42829 C C . GLU CA 11 ? 0.6756 0.5783 0.5498 -0.0006 -0.0443 0.0172 11 GLU l C +42830 O O . GLU CA 11 ? 0.7777 0.6830 0.6546 -0.0015 -0.0454 0.0157 11 GLU l O +42831 C CB . GLU CA 11 ? 0.6739 0.5706 0.5385 0.0033 -0.0471 0.0179 11 GLU l CB +42832 C CG . GLU CA 11 ? 0.8257 0.7230 0.6893 0.0032 -0.0487 0.0163 11 GLU l CG +42833 C CD . GLU CA 11 ? 0.9222 0.8146 0.7783 0.0046 -0.0487 0.0169 11 GLU l CD +42834 O OE1 . GLU CA 11 ? 1.0272 0.9171 0.8791 0.0068 -0.0505 0.0171 11 GLU l OE1 +42835 O OE2 . GLU CA 11 ? 0.9107 0.8018 0.7649 0.0038 -0.0467 0.0172 11 GLU l OE2 +42836 N N . LEU CA 12 ? 0.6972 0.5980 0.5701 -0.0013 -0.0413 0.0188 12 LEU l N +42837 C CA . LEU CA 12 ? 0.6667 0.5680 0.5404 -0.0029 -0.0392 0.0187 12 LEU l CA +42838 C C . LEU CA 12 ? 0.6777 0.5755 0.5470 -0.0026 -0.0366 0.0205 12 LEU l C +42839 O O . LEU CA 12 ? 0.7196 0.6169 0.5896 -0.0030 -0.0349 0.0218 12 LEU l O +42840 C CB . LEU CA 12 ? 0.7304 0.6355 0.6104 -0.0048 -0.0380 0.0185 12 LEU l CB +42841 C CG . LEU CA 12 ? 0.7412 0.6469 0.6220 -0.0062 -0.0362 0.0183 12 LEU l CG +42842 C CD1 . LEU CA 12 ? 0.7756 0.6834 0.6587 -0.0069 -0.0379 0.0165 12 LEU l CD1 +42843 C CD2 . LEU CA 12 ? 0.6935 0.6007 0.5778 -0.0076 -0.0337 0.0192 12 LEU l CD2 +42844 N N . ASN CA 13 ? 0.6814 0.5765 0.5460 -0.0020 -0.0363 0.0204 13 ASN l N +42845 C CA . ASN CA 13 ? 0.6932 0.5850 0.5534 -0.0017 -0.0337 0.0220 13 ASN l CA +42846 C C . ASN CA 13 ? 0.7152 0.6087 0.5785 -0.0034 -0.0308 0.0225 13 ASN l C +42847 O O . ASN CA 13 ? 0.7013 0.5981 0.5693 -0.0046 -0.0309 0.0215 13 ASN l O +42848 C CB . ASN CA 13 ? 0.6449 0.5330 0.4987 -0.0002 -0.0343 0.0218 13 ASN l CB +42849 C CG . ASN CA 13 ? 0.7673 0.6566 0.6215 -0.0007 -0.0350 0.0203 13 ASN l CG +42850 O OD1 . ASN CA 13 ? 0.7414 0.6332 0.5995 -0.0021 -0.0338 0.0199 13 ASN l OD1 +42851 N ND2 . ASN CA 13 ? 0.6848 0.5717 0.5344 0.0007 -0.0370 0.0194 13 ASN l ND2 +42852 N N . ARG CA 14 ? 0.6612 0.5525 0.5216 -0.0034 -0.0281 0.0239 14 ARG l N +42853 C CA . ARG CA 14 ? 0.8070 0.7001 0.6704 -0.0048 -0.0253 0.0245 14 ARG l CA +42854 C C . ARG CA 14 ? 0.7771 0.6714 0.6412 -0.0052 -0.0250 0.0234 14 ARG l C +42855 O O . ARG CA 14 ? 0.7231 0.6203 0.5916 -0.0064 -0.0239 0.0232 14 ARG l O +42856 C CB . ARG CA 14 ? 0.7589 0.6493 0.6189 -0.0048 -0.0225 0.0261 14 ARG l CB +42857 C CG . ARG CA 14 ? 0.7581 0.6510 0.6221 -0.0063 -0.0197 0.0267 14 ARG l CG +42858 C CD . ARG CA 14 ? 0.7594 0.6501 0.6203 -0.0064 -0.0168 0.0282 14 ARG l CD +42859 N NE . ARG CA 14 ? 0.9588 0.8465 0.8168 -0.0060 -0.0169 0.0293 14 ARG l NE +42860 C CZ . ARG CA 14 ? 1.0590 0.9438 0.9134 -0.0060 -0.0145 0.0307 14 ARG l CZ +42861 N NH1 . ARG CA 14 ? 0.7891 0.6739 0.6426 -0.0065 -0.0118 0.0311 14 ARG l NH1 +42862 N NH2 . ARG CA 14 ? 0.9743 0.8560 0.8258 -0.0055 -0.0149 0.0317 14 ARG l NH2 +42863 N N A THR CA 15 ? 0.7222 0.6141 0.5817 -0.0041 -0.0259 0.0228 15 THR l N +42864 N N B THR CA 15 ? 0.7230 0.6148 0.5825 -0.0041 -0.0259 0.0228 15 THR l N +42865 C CA A THR CA 15 ? 0.6770 0.5695 0.5367 -0.0043 -0.0257 0.0217 15 THR l CA +42866 C CA B THR CA 15 ? 0.6758 0.5683 0.5355 -0.0043 -0.0257 0.0218 15 THR l CA +42867 C C A THR CA 15 ? 0.6594 0.5550 0.5239 -0.0053 -0.0276 0.0203 15 THR l C +42868 C C B THR CA 15 ? 0.6584 0.5541 0.5230 -0.0053 -0.0276 0.0203 15 THR l C +42869 O O A THR CA 15 ? 0.6727 0.5702 0.5401 -0.0062 -0.0267 0.0198 15 THR l O +42870 O O B THR CA 15 ? 0.6731 0.5705 0.5405 -0.0062 -0.0267 0.0198 15 THR l O +42871 C CB A THR CA 15 ? 0.7181 0.6070 0.5714 -0.0028 -0.0265 0.0213 15 THR l CB +42872 C CB B THR CA 15 ? 0.7174 0.6063 0.5708 -0.0028 -0.0264 0.0213 15 THR l CB +42873 O OG1 A THR CA 15 ? 0.8049 0.6911 0.6541 -0.0022 -0.0239 0.0227 15 THR l OG1 +42874 O OG1 B THR CA 15 ? 0.8060 0.6922 0.6553 -0.0022 -0.0239 0.0228 15 THR l OG1 +42875 C CG2 A THR CA 15 ? 0.6799 0.5691 0.5332 -0.0030 -0.0268 0.0200 15 THR l CG2 +42876 C CG2 B THR CA 15 ? 0.6773 0.5666 0.5307 -0.0030 -0.0266 0.0200 15 THR l CG2 +42877 N N . SER CA 16 ? 0.6644 0.5607 0.5300 -0.0050 -0.0302 0.0196 16 SER l N +42878 C CA . SER CA 16 ? 0.6953 0.5948 0.5658 -0.0061 -0.0319 0.0183 16 SER l CA +42879 C C . SER CA 16 ? 0.6977 0.6003 0.5737 -0.0076 -0.0303 0.0188 16 SER l C +42880 O O . SER CA 16 ? 0.6881 0.5929 0.5676 -0.0087 -0.0304 0.0180 16 SER l O +42881 C CB . SER CA 16 ? 0.7326 0.6327 0.6035 -0.0055 -0.0348 0.0175 16 SER l CB +42882 O OG . SER CA 16 ? 0.7900 0.6873 0.6557 -0.0041 -0.0365 0.0169 16 SER l OG +42883 N N . LEU CA 17 ? 0.6788 0.5812 0.5552 -0.0076 -0.0289 0.0202 17 LEU l N +42884 C CA . LEU CA 17 ? 0.6863 0.5914 0.5675 -0.0089 -0.0273 0.0208 17 LEU l CA +42885 C C . LEU CA 17 ? 0.6524 0.5581 0.5343 -0.0096 -0.0252 0.0208 17 LEU l C +42886 O O . LEU CA 17 ? 0.6401 0.5482 0.5259 -0.0106 -0.0251 0.0203 17 LEU l O +42887 C CB . LEU CA 17 ? 0.6401 0.5444 0.5209 -0.0088 -0.0261 0.0222 17 LEU l CB +42888 C CG . LEU CA 17 ? 0.7403 0.6470 0.6254 -0.0101 -0.0243 0.0229 17 LEU l CG +42889 C CD1 . LEU CA 17 ? 0.6536 0.5630 0.5434 -0.0109 -0.0257 0.0221 17 LEU l CD1 +42890 C CD2 . LEU CA 17 ? 0.6922 0.5973 0.5758 -0.0101 -0.0225 0.0244 17 LEU l CD2 +42891 N N . TYR CA 18 ? 0.6296 0.5331 0.5076 -0.0088 -0.0236 0.0215 18 TYR l N +42892 C CA . TYR CA 18 ? 0.6625 0.5666 0.5410 -0.0091 -0.0217 0.0215 18 TYR l CA +42893 C C . TYR CA 18 ? 0.7304 0.6349 0.6095 -0.0093 -0.0229 0.0201 18 TYR l C +42894 O O . TYR CA 18 ? 0.7561 0.6624 0.6382 -0.0100 -0.0220 0.0198 18 TYR l O +42895 C CB . TYR CA 18 ? 0.6723 0.5736 0.5460 -0.0081 -0.0199 0.0223 18 TYR l CB +42896 C CG . TYR CA 18 ? 0.7318 0.6328 0.6051 -0.0083 -0.0180 0.0239 18 TYR l CG +42897 C CD1 . TYR CA 18 ? 0.6964 0.5998 0.5741 -0.0095 -0.0171 0.0245 18 TYR l CD1 +42898 C CD2 . TYR CA 18 ? 0.7184 0.6161 0.5866 -0.0073 -0.0170 0.0247 18 TYR l CD2 +42899 C CE1 . TYR CA 18 ? 0.6736 0.5765 0.5509 -0.0098 -0.0152 0.0258 18 TYR l CE1 +42900 C CE2 . TYR CA 18 ? 0.7589 0.6559 0.6264 -0.0077 -0.0150 0.0261 18 TYR l CE2 +42901 C CZ . TYR CA 18 ? 0.7401 0.6396 0.6123 -0.0090 -0.0142 0.0266 18 TYR l CZ +42902 O OH . TYR CA 18 ? 0.7621 0.6607 0.6335 -0.0095 -0.0122 0.0280 18 TYR l OH +42903 N N A LEU CA 19 ? 0.6860 0.5888 0.5623 -0.0086 -0.0249 0.0191 19 LEU l N +42904 N N B LEU CA 19 ? 0.6864 0.5892 0.5627 -0.0086 -0.0249 0.0191 19 LEU l N +42905 C CA A LEU CA 19 ? 0.6605 0.5634 0.5371 -0.0090 -0.0261 0.0177 19 LEU l CA +42906 C CA B LEU CA 19 ? 0.6605 0.5633 0.5371 -0.0090 -0.0261 0.0177 19 LEU l CA +42907 C C A LEU CA 19 ? 0.6990 0.6048 0.5808 -0.0104 -0.0270 0.0170 19 LEU l C +42908 C C B LEU CA 19 ? 0.7001 0.6059 0.5819 -0.0104 -0.0270 0.0170 19 LEU l C +42909 O O A LEU CA 19 ? 0.6751 0.5817 0.5587 -0.0111 -0.0266 0.0164 19 LEU l O +42910 O O B LEU CA 19 ? 0.6754 0.5820 0.5590 -0.0111 -0.0265 0.0164 19 LEU l O +42911 C CB A LEU CA 19 ? 0.6750 0.5756 0.5478 -0.0081 -0.0283 0.0167 19 LEU l CB +42912 C CB B LEU CA 19 ? 0.6734 0.5741 0.5463 -0.0081 -0.0284 0.0167 19 LEU l CB +42913 C CG A LEU CA 19 ? 0.7666 0.6637 0.6334 -0.0067 -0.0276 0.0169 19 LEU l CG +42914 C CG B LEU CA 19 ? 0.7693 0.6666 0.6364 -0.0068 -0.0276 0.0168 19 LEU l CG +42915 C CD1 A LEU CA 19 ? 0.6864 0.5814 0.5495 -0.0058 -0.0301 0.0160 19 LEU l CD1 +42916 C CD1 B LEU CA 19 ? 0.6865 0.5816 0.5498 -0.0058 -0.0301 0.0159 19 LEU l CD1 +42917 C CD2 A LEU CA 19 ? 0.6327 0.5292 0.4989 -0.0068 -0.0265 0.0162 19 LEU l CD2 +42918 C CD2 B LEU CA 19 ? 0.6270 0.5238 0.4937 -0.0070 -0.0265 0.0162 19 LEU l CD2 +42919 N N . GLY CA 20 ? 0.6688 0.5761 0.5529 -0.0107 -0.0282 0.0171 20 GLY l N +42920 C CA . GLY CA 20 ? 0.6145 0.5246 0.5035 -0.0120 -0.0290 0.0164 20 GLY l CA +42921 C C . GLY CA 20 ? 0.6827 0.5947 0.5751 -0.0129 -0.0271 0.0172 20 GLY l C +42922 O O . GLY CA 20 ? 0.6461 0.5594 0.5412 -0.0139 -0.0272 0.0165 20 GLY l O +42923 N N . LEU CA 21 ? 0.6538 0.5657 0.5460 -0.0126 -0.0254 0.0185 21 LEU l N +42924 C CA . LEU CA 21 ? 0.6417 0.5554 0.5370 -0.0133 -0.0237 0.0191 21 LEU l CA +42925 C C . LEU CA 21 ? 0.6168 0.5301 0.5115 -0.0133 -0.0226 0.0187 21 LEU l C +42926 O O . LEU CA 21 ? 0.6264 0.5413 0.5241 -0.0141 -0.0222 0.0185 21 LEU l O +42927 C CB . LEU CA 21 ? 0.6576 0.5712 0.5524 -0.0131 -0.0220 0.0205 21 LEU l CB +42928 C CG . LEU CA 21 ? 0.7091 0.6230 0.6049 -0.0132 -0.0228 0.0210 21 LEU l CG +42929 C CD1 . LEU CA 21 ? 0.7302 0.6434 0.6250 -0.0131 -0.0210 0.0224 21 LEU l CD1 +42930 C CD2 . LEU CA 21 ? 0.6920 0.6085 0.5925 -0.0143 -0.0234 0.0206 21 LEU l CD2 +42931 N N . LEU CA 22 ? 0.5979 0.5089 0.4886 -0.0123 -0.0223 0.0186 22 LEU l N +42932 C CA . LEU CA 22 ? 0.6659 0.5763 0.5557 -0.0121 -0.0213 0.0182 22 LEU l CA +42933 C C . LEU CA 22 ? 0.6342 0.5447 0.5252 -0.0128 -0.0227 0.0170 22 LEU l C +42934 O O . LEU CA 22 ? 0.6719 0.5830 0.5645 -0.0132 -0.0219 0.0168 22 LEU l O +42935 C CB . LEU CA 22 ? 0.5968 0.5046 0.4818 -0.0107 -0.0207 0.0183 22 LEU l CB +42936 C CG . LEU CA 22 ? 0.7888 0.6956 0.6723 -0.0101 -0.0195 0.0179 22 LEU l CG +42937 C CD1 . LEU CA 22 ? 0.7329 0.6418 0.6190 -0.0101 -0.0174 0.0187 22 LEU l CD1 +42938 C CD2 . LEU CA 22 ? 0.7569 0.6606 0.6351 -0.0087 -0.0192 0.0177 22 LEU l CD2 +42939 N N . LEU CA 23 ? 0.6431 0.5530 0.5335 -0.0131 -0.0247 0.0161 23 LEU l N +42940 C CA . LEU CA 23 ? 0.6205 0.5306 0.5124 -0.0141 -0.0260 0.0148 23 LEU l CA +42941 C C . LEU CA 23 ? 0.6506 0.5632 0.5470 -0.0153 -0.0257 0.0150 23 LEU l C +42942 O O . LEU CA 23 ? 0.6553 0.5678 0.5527 -0.0160 -0.0253 0.0145 23 LEU l O +42943 C CB . LEU CA 23 ? 0.5812 0.4908 0.4721 -0.0142 -0.0283 0.0138 23 LEU l CB +42944 C CG . LEU CA 23 ? 0.7106 0.6209 0.6036 -0.0156 -0.0297 0.0124 23 LEU l CG +42945 C CD1 . LEU CA 23 ? 0.5845 0.4923 0.4750 -0.0157 -0.0294 0.0116 23 LEU l CD1 +42946 C CD2 . LEU CA 23 ? 0.7420 0.6528 0.6351 -0.0157 -0.0319 0.0115 23 LEU l CD2 +42947 N N . ILE CA 24 ? 0.6053 0.5198 0.5041 -0.0156 -0.0257 0.0157 24 ILE l N +42948 C CA . ILE CA 24 ? 0.6294 0.5462 0.5324 -0.0167 -0.0254 0.0158 24 ILE l CA +42949 C C . ILE CA 24 ? 0.6343 0.5515 0.5381 -0.0167 -0.0236 0.0164 24 ILE l C +42950 O O . ILE CA 24 ? 0.6449 0.5626 0.5505 -0.0174 -0.0234 0.0160 24 ILE l O +42951 C CB . ILE CA 24 ? 0.6615 0.5801 0.5666 -0.0168 -0.0257 0.0164 24 ILE l CB +42952 C CG1 . ILE CA 24 ? 0.6778 0.5963 0.5823 -0.0166 -0.0277 0.0157 24 ILE l CG1 +42953 C CG2 . ILE CA 24 ? 0.5774 0.4982 0.4865 -0.0179 -0.0253 0.0165 24 ILE l CG2 +42954 C CD1 . ILE CA 24 ? 0.8118 0.7306 0.7173 -0.0176 -0.0291 0.0142 24 ILE l CD1 +42955 N N . LEU CA 25 ? 0.6485 0.5654 0.5508 -0.0157 -0.0222 0.0173 25 LEU l N +42956 C CA . LEU CA 25 ? 0.6490 0.5667 0.5525 -0.0156 -0.0206 0.0179 25 LEU l CA +42957 C C . LEU CA 25 ? 0.6231 0.5393 0.5250 -0.0152 -0.0203 0.0173 25 LEU l C +42958 O O . LEU CA 25 ? 0.6984 0.6154 0.6020 -0.0154 -0.0197 0.0173 25 LEU l O +42959 C CB . LEU CA 25 ? 0.5859 0.5039 0.4884 -0.0148 -0.0191 0.0190 25 LEU l CB +42960 C CG . LEU CA 25 ? 0.6564 0.5758 0.5607 -0.0152 -0.0190 0.0198 25 LEU l CG +42961 C CD1 . LEU CA 25 ? 0.5883 0.5073 0.4910 -0.0146 -0.0175 0.0208 25 LEU l CD1 +42962 C CD2 . LEU CA 25 ? 0.6559 0.5775 0.5642 -0.0162 -0.0189 0.0199 25 LEU l CD2 +42963 N N . VAL CA 26 ? 0.6029 0.5168 0.5015 -0.0146 -0.0209 0.0166 26 VAL l N +42964 C CA . VAL CA 26 ? 0.5720 0.4839 0.4687 -0.0142 -0.0207 0.0159 26 VAL l CA +42965 C C . VAL CA 26 ? 0.6791 0.5906 0.5771 -0.0155 -0.0217 0.0150 26 VAL l C +42966 O O . VAL CA 26 ? 0.6118 0.5226 0.5099 -0.0155 -0.0212 0.0148 26 VAL l O +42967 C CB . VAL CA 26 ? 0.6907 0.6000 0.5830 -0.0131 -0.0209 0.0155 26 VAL l CB +42968 C CG1 . VAL CA 26 ? 0.6747 0.5814 0.5647 -0.0128 -0.0209 0.0146 26 VAL l CG1 +42969 C CG2 . VAL CA 26 ? 0.6821 0.5916 0.5730 -0.0118 -0.0193 0.0165 26 VAL l CG2 +42970 N N . LEU CA 27 ? 0.6253 0.5374 0.5244 -0.0165 -0.0232 0.0145 27 LEU l N +42971 C CA . LEU CA 27 ? 0.6437 0.5559 0.5446 -0.0179 -0.0240 0.0136 27 LEU l CA +42972 C C . LEU CA 27 ? 0.6345 0.5484 0.5384 -0.0185 -0.0231 0.0142 27 LEU l C +42973 O O . LEU CA 27 ? 0.6135 0.5264 0.5176 -0.0191 -0.0229 0.0138 27 LEU l O +42974 C CB . LEU CA 27 ? 0.6123 0.5256 0.5145 -0.0189 -0.0256 0.0130 27 LEU l CB +42975 C CG . LEU CA 27 ? 0.6637 0.5750 0.5629 -0.0187 -0.0270 0.0119 27 LEU l CG +42976 C CD1 . LEU CA 27 ? 0.7723 0.6852 0.6732 -0.0194 -0.0287 0.0112 27 LEU l CD1 +42977 C CD2 . LEU CA 27 ? 0.6768 0.5857 0.5746 -0.0194 -0.0271 0.0109 27 LEU l CD2 +42978 N N . ALA CA 28 ? 0.6806 0.5968 0.5866 -0.0183 -0.0226 0.0152 28 ALA l N +42979 C CA . ALA CA 28 ? 0.6932 0.6112 0.6020 -0.0188 -0.0218 0.0157 28 ALA l CA +42980 C C . ALA CA 28 ? 0.6214 0.5384 0.5291 -0.0179 -0.0206 0.0160 28 ALA l C +42981 O O . ALA CA 28 ? 0.6406 0.5577 0.5495 -0.0183 -0.0203 0.0160 28 ALA l O +42982 C CB . ALA CA 28 ? 0.6355 0.5557 0.5463 -0.0186 -0.0214 0.0166 28 ALA l CB +42983 N N . LEU CA 29 ? 0.6215 0.5378 0.5272 -0.0166 -0.0199 0.0164 29 LEU l N +42984 C CA . LEU CA 29 ? 0.6261 0.5418 0.5308 -0.0155 -0.0188 0.0166 29 LEU l CA +42985 C C . LEU CA 29 ? 0.7031 0.6159 0.6057 -0.0156 -0.0192 0.0157 29 LEU l C +42986 O O . LEU CA 29 ? 0.7350 0.6473 0.6375 -0.0151 -0.0187 0.0158 29 LEU l O +42987 C CB . LEU CA 29 ? 0.6984 0.6138 0.6010 -0.0140 -0.0179 0.0170 29 LEU l CB +42988 C CG . LEU CA 29 ? 0.7202 0.6359 0.6224 -0.0126 -0.0166 0.0173 29 LEU l CG +42989 C CD1 . LEU CA 29 ? 0.7702 0.6887 0.6758 -0.0128 -0.0160 0.0179 29 LEU l CD1 +42990 C CD2 . LEU CA 29 ? 0.7599 0.6755 0.6601 -0.0114 -0.0156 0.0176 29 LEU l CD2 +42991 N N . LEU CA 30 ? 0.6896 0.6005 0.5904 -0.0162 -0.0202 0.0149 30 LEU l N +42992 C CA . LEU CA 30 ? 0.5946 0.5025 0.4933 -0.0166 -0.0206 0.0140 30 LEU l CA +42993 C C . LEU CA 30 ? 0.6813 0.5893 0.5820 -0.0181 -0.0209 0.0138 30 LEU l C +42994 O O . LEU CA 30 ? 0.6558 0.5620 0.5555 -0.0179 -0.0204 0.0137 30 LEU l O +42995 C CB . LEU CA 30 ? 0.6184 0.5244 0.5148 -0.0170 -0.0218 0.0130 30 LEU l CB +42996 C CG . LEU CA 30 ? 0.7107 0.6134 0.6050 -0.0178 -0.0223 0.0120 30 LEU l CG +42997 C CD1 . LEU CA 30 ? 0.6577 0.5577 0.5492 -0.0164 -0.0213 0.0120 30 LEU l CD1 +42998 C CD2 . LEU CA 30 ? 0.6245 0.5258 0.5169 -0.0183 -0.0236 0.0109 30 LEU l CD2 +42999 N N . PHE CA 31 ? 0.6187 0.5288 0.5221 -0.0194 -0.0216 0.0137 31 PHE l N +43000 C CA . PHE CA 31 ? 0.6951 0.6054 0.6003 -0.0210 -0.0218 0.0133 31 PHE l CA +43001 C C . PHE CA 31 ? 0.6956 0.6076 0.6030 -0.0209 -0.0210 0.0142 31 PHE l C +43002 O O . PHE CA 31 ? 0.6196 0.5310 0.5278 -0.0220 -0.0209 0.0139 31 PHE l O +43003 C CB . PHE CA 31 ? 0.6107 0.5227 0.5179 -0.0224 -0.0229 0.0128 31 PHE l CB +43004 C CG . PHE CA 31 ? 0.7367 0.6466 0.6421 -0.0231 -0.0239 0.0115 31 PHE l CG +43005 C CD1 . PHE CA 31 ? 0.6998 0.6081 0.6050 -0.0247 -0.0240 0.0107 31 PHE l CD1 +43006 C CD2 . PHE CA 31 ? 0.7050 0.6143 0.6084 -0.0224 -0.0246 0.0112 31 PHE l CD2 +43007 C CE1 . PHE CA 31 ? 0.7666 0.6730 0.6702 -0.0256 -0.0249 0.0095 31 PHE l CE1 +43008 C CE2 . PHE CA 31 ? 0.7925 0.6999 0.6941 -0.0231 -0.0257 0.0100 31 PHE l CE2 +43009 C CZ . PHE CA 31 ? 0.6454 0.5514 0.5473 -0.0248 -0.0258 0.0091 31 PHE l CZ +43010 N N . SER CA 32 ? 0.6855 0.5994 0.5938 -0.0198 -0.0204 0.0151 32 SER l N +43011 C CA . SER CA 32 ? 0.6610 0.5769 0.5718 -0.0199 -0.0198 0.0157 32 SER l CA +43012 C C . SER CA 32 ? 0.5693 0.4832 0.4788 -0.0195 -0.0194 0.0157 32 SER l C +43013 O O . SER CA 32 ? 0.6294 0.5438 0.5403 -0.0203 -0.0192 0.0159 32 SER l O +43014 C CB . SER CA 32 ? 0.6265 0.5447 0.5385 -0.0188 -0.0193 0.0166 32 SER l CB +43015 O OG . SER CA 32 ? 0.6667 0.5840 0.5766 -0.0173 -0.0187 0.0167 32 SER l OG +43016 N N . SER CA 33 ? 0.6263 0.5378 0.5330 -0.0183 -0.0190 0.0156 33 SER l N +43017 C CA . SER CA 33 ? 0.5974 0.5067 0.5025 -0.0177 -0.0187 0.0156 33 SER l CA +43018 C C . SER CA 33 ? 0.6480 0.5549 0.5524 -0.0194 -0.0189 0.0151 33 SER l C +43019 O O . SER CA 33 ? 0.6289 0.5348 0.5330 -0.0195 -0.0186 0.0153 33 SER l O +43020 C CB . SER CA 33 ? 0.5728 0.4794 0.4745 -0.0161 -0.0184 0.0154 33 SER l CB +43021 O OG . SER CA 33 ? 0.6480 0.5566 0.5502 -0.0145 -0.0179 0.0159 33 SER l OG +43022 N N . TYR CA 34 ? 0.6224 0.5285 0.5264 -0.0208 -0.0195 0.0143 34 TYR l N +43023 C CA . TYR CA 34 ? 0.6114 0.5156 0.5151 -0.0226 -0.0196 0.0137 34 TYR l CA +43024 C C . TYR CA 34 ? 0.5857 0.4926 0.4927 -0.0240 -0.0196 0.0138 34 TYR l C +43025 O O . TYR CA 34 ? 0.5916 0.4970 0.4984 -0.0252 -0.0192 0.0136 34 TYR l O +43026 C CB . TYR CA 34 ? 0.6653 0.5680 0.5678 -0.0236 -0.0203 0.0126 34 TYR l CB +43027 C CG . TYR CA 34 ? 0.6932 0.5929 0.5921 -0.0223 -0.0203 0.0124 34 TYR l CG +43028 C CD1 . TYR CA 34 ? 0.5543 0.4497 0.4499 -0.0223 -0.0200 0.0120 34 TYR l CD1 +43029 C CD2 . TYR CA 34 ? 0.5823 0.4831 0.4806 -0.0208 -0.0205 0.0125 34 TYR l CD2 +43030 C CE1 . TYR CA 34 ? 0.6083 0.5006 0.5003 -0.0209 -0.0199 0.0117 34 TYR l CE1 +43031 C CE2 . TYR CA 34 ? 0.6288 0.5268 0.5237 -0.0195 -0.0204 0.0123 34 TYR l CE2 +43032 C CZ . TYR CA 34 ? 0.6583 0.5521 0.5501 -0.0194 -0.0201 0.0118 34 TYR l CZ +43033 O OH . TYR CA 34 ? 0.6964 0.5871 0.5845 -0.0179 -0.0200 0.0115 34 TYR l OH +43034 N N . PHE CA 35 ? 0.6838 0.5942 0.5935 -0.0238 -0.0199 0.0142 35 PHE l N +43035 C CA . PHE CA 35 ? 0.6807 0.5937 0.5935 -0.0248 -0.0198 0.0144 35 PHE l CA +43036 C C . PHE CA 35 ? 0.6220 0.5349 0.5349 -0.0242 -0.0191 0.0151 35 PHE l C +43037 O O . PHE CA 35 ? 0.6196 0.5327 0.5335 -0.0252 -0.0188 0.0151 35 PHE l O +43038 C CB . PHE CA 35 ? 0.6880 0.6043 0.6033 -0.0245 -0.0203 0.0147 35 PHE l CB +43039 C CG . PHE CA 35 ? 0.7110 0.6277 0.6264 -0.0250 -0.0211 0.0140 35 PHE l CG +43040 C CD1 . PHE CA 35 ? 0.7236 0.6384 0.6379 -0.0262 -0.0215 0.0130 35 PHE l CD1 +43041 C CD2 . PHE CA 35 ? 0.7443 0.6632 0.6610 -0.0244 -0.0216 0.0143 35 PHE l CD2 +43042 C CE1 . PHE CA 35 ? 0.6928 0.6081 0.6072 -0.0266 -0.0225 0.0122 35 PHE l CE1 +43043 C CE2 . PHE CA 35 ? 0.7528 0.6720 0.6693 -0.0247 -0.0226 0.0136 35 PHE l CE2 +43044 C CZ . PHE CA 35 ? 0.7989 0.7165 0.7145 -0.0258 -0.0231 0.0125 35 PHE l CZ +43045 N N . PHE CA 36 ? 0.6721 0.5851 0.5841 -0.0224 -0.0189 0.0157 36 PHE l N +43046 C CA . PHE CA 36 ? 0.6289 0.5418 0.5408 -0.0217 -0.0185 0.0163 36 PHE l CA +43047 C C . PHE CA 36 ? 0.7932 0.7022 0.7021 -0.0218 -0.0182 0.0161 36 PHE l C +43048 O O . PHE CA 36 ? 0.6538 0.5622 0.5626 -0.0221 -0.0179 0.0163 36 PHE l O +43049 C CB . PHE CA 36 ? 0.6308 0.5453 0.5429 -0.0198 -0.0184 0.0169 36 PHE l CB +43050 C CG . PHE CA 36 ? 0.7038 0.6220 0.6190 -0.0199 -0.0184 0.0173 36 PHE l CG +43051 C CD1 . PHE CA 36 ? 0.6669 0.5869 0.5842 -0.0205 -0.0185 0.0175 36 PHE l CD1 +43052 C CD2 . PHE CA 36 ? 0.6365 0.5560 0.5520 -0.0192 -0.0185 0.0174 36 PHE l CD2 +43053 C CE1 . PHE CA 36 ? 0.7068 0.6298 0.6267 -0.0206 -0.0185 0.0179 36 PHE l CE1 +43054 C CE2 . PHE CA 36 ? 0.6048 0.5272 0.5227 -0.0193 -0.0184 0.0178 36 PHE l CE2 +43055 C CZ . PHE CA 36 ? 0.6617 0.5859 0.5819 -0.0200 -0.0185 0.0181 36 PHE l CZ +43056 N N . ASN CA 37 ? 0.6545 0.5607 0.5607 -0.0215 -0.0182 0.0156 37 ASN l N +43057 C CA . ASN CA 37 ? 0.6390 0.5408 0.5419 -0.0217 -0.0179 0.0154 37 ASN l CA +43058 C C . ASN CA 37 ? 0.6505 0.5509 0.5517 -0.0201 -0.0176 0.0160 37 ASN l C +43059 O O . ASN CA 37 ? 0.6169 0.5148 0.5165 -0.0207 -0.0172 0.0161 37 ASN l O +43060 C CB . ASN CA 37 ? 0.6308 0.5314 0.5340 -0.0241 -0.0177 0.0149 37 ASN l CB +43061 C CG . ASN CA 37 ? 0.7007 0.5963 0.6002 -0.0248 -0.0173 0.0144 37 ASN l CG +43062 O OD1 . ASN CA 37 ? 0.6911 0.5839 0.5876 -0.0233 -0.0173 0.0144 37 ASN l OD1 +43063 N ND2 . ASN CA 37 ? 0.7444 0.6390 0.6442 -0.0270 -0.0170 0.0139 37 ASN l ND2 +43064 O OXT . ASN CA 37 ? 0.6461 0.5478 0.5474 -0.0182 -0.0177 0.0164 37 ASN l OXT +43065 N N . FME DA 1 ? 1.0865 1.0015 0.9954 -0.0100 -0.0195 0.0189 1 FME m N +43066 C CN . FME DA 1 ? 1.1748 1.0897 1.0830 -0.0086 -0.0201 0.0190 1 FME m CN +43067 O O1 . FME DA 1 ? 1.6100 1.5211 1.5145 -0.0073 -0.0203 0.0190 1 FME m O1 +43068 C CA . FME DA 1 ? 0.8482 0.7588 0.7539 -0.0109 -0.0190 0.0187 1 FME m CA +43069 C CB . FME DA 1 ? 0.8647 0.7754 0.7704 -0.0108 -0.0186 0.0185 1 FME m CB +43070 C CG . FME DA 1 ? 0.9360 0.8479 0.8416 -0.0083 -0.0187 0.0185 1 FME m CG +43071 S SD . FME DA 1 ? 0.8769 0.7841 0.7779 -0.0061 -0.0189 0.0184 1 FME m SD +43072 C CE . FME DA 1 ? 0.7428 0.6458 0.6407 -0.0069 -0.0183 0.0180 1 FME m CE +43073 C C . FME DA 1 ? 0.7597 0.6697 0.6660 -0.0133 -0.0188 0.0187 1 FME m C +43074 O O . FME DA 1 ? 0.8486 0.7619 0.7581 -0.0144 -0.0188 0.0187 1 FME m O +43075 N N . GLU DA 2 ? 0.7016 0.6074 0.6048 -0.0141 -0.0184 0.0186 2 GLU m N +43076 C CA . GLU DA 2 ? 0.7773 0.6827 0.6813 -0.0164 -0.0180 0.0185 2 GLU m CA +43077 C C . GLU DA 2 ? 0.7623 0.6679 0.6672 -0.0181 -0.0177 0.0181 2 GLU m C +43078 O O . GLU DA 2 ? 0.7422 0.6445 0.6449 -0.0191 -0.0172 0.0178 2 GLU m O +43079 C CB . GLU DA 2 ? 0.7831 0.6840 0.6834 -0.0168 -0.0177 0.0186 2 GLU m CB +43080 C CG . GLU DA 2 ? 1.0610 0.9618 0.9603 -0.0153 -0.0182 0.0190 2 GLU m CG +43081 C CD . GLU DA 2 ? 1.3249 1.2214 1.2207 -0.0160 -0.0177 0.0192 2 GLU m CD +43082 O OE1 . GLU DA 2 ? 1.1601 1.0561 1.0565 -0.0183 -0.0169 0.0190 2 GLU m OE1 +43083 O OE2 . GLU DA 2 ? 1.2370 1.1307 1.1295 -0.0143 -0.0180 0.0195 2 GLU m OE2 +43084 N N . VAL DA 3 ? 0.7575 0.6669 0.6656 -0.0183 -0.0179 0.0181 3 VAL m N +43085 C CA . VAL DA 3 ? 0.7382 0.6481 0.6473 -0.0196 -0.0178 0.0177 3 VAL m CA +43086 C C . VAL DA 3 ? 0.7631 0.6739 0.6740 -0.0216 -0.0176 0.0174 3 VAL m C +43087 O O . VAL DA 3 ? 0.7071 0.6183 0.6185 -0.0219 -0.0175 0.0177 3 VAL m O +43088 C CB . VAL DA 3 ? 0.8389 0.7522 0.7503 -0.0188 -0.0180 0.0178 3 VAL m CB +43089 C CG1 . VAL DA 3 ? 0.6921 0.6045 0.6018 -0.0168 -0.0180 0.0179 3 VAL m CG1 +43090 C CG2 . VAL DA 3 ? 0.6705 0.5874 0.5851 -0.0189 -0.0182 0.0181 3 VAL m CG2 +43091 N N . ASN DA 4 ? 0.7466 0.6575 0.6582 -0.0230 -0.0175 0.0169 4 ASN m N +43092 C CA . ASN DA 4 ? 0.6878 0.6001 0.6016 -0.0248 -0.0174 0.0166 4 ASN m CA +43093 C C . ASN DA 4 ? 0.7116 0.6279 0.6287 -0.0246 -0.0178 0.0169 4 ASN m C +43094 O O . ASN DA 4 ? 0.7506 0.6685 0.6686 -0.0239 -0.0182 0.0170 4 ASN m O +43095 C CB . ASN DA 4 ? 0.6712 0.5824 0.5847 -0.0262 -0.0174 0.0159 4 ASN m CB +43096 C CG . ASN DA 4 ? 0.8390 0.7525 0.7554 -0.0279 -0.0173 0.0155 4 ASN m CG +43097 O OD1 . ASN DA 4 ? 0.9069 0.8223 0.8252 -0.0281 -0.0172 0.0157 4 ASN m OD1 +43098 N ND2 . ASN DA 4 ? 1.1667 1.0798 1.0834 -0.0291 -0.0175 0.0147 4 ASN m ND2 +43099 N N A GLN DA 5 ? 0.8330 0.7507 0.7517 -0.0251 -0.0176 0.0170 5 GLN m N +43100 N N B GLN DA 5 ? 0.8329 0.7505 0.7515 -0.0251 -0.0176 0.0171 5 GLN m N +43101 C CA A GLN DA 5 ? 0.8972 0.8181 0.8186 -0.0249 -0.0179 0.0173 5 GLN m CA +43102 C CA B GLN DA 5 ? 0.8974 0.8184 0.8188 -0.0249 -0.0179 0.0173 5 GLN m CA +43103 C C A GLN DA 5 ? 0.8517 0.7746 0.7752 -0.0256 -0.0182 0.0170 5 GLN m C +43104 C C B GLN DA 5 ? 0.8525 0.7752 0.7758 -0.0256 -0.0182 0.0170 5 GLN m C +43105 O O A GLN DA 5 ? 0.8054 0.7303 0.7304 -0.0250 -0.0186 0.0173 5 GLN m O +43106 O O B GLN DA 5 ? 0.8024 0.7271 0.7271 -0.0250 -0.0186 0.0172 5 GLN m O +43107 C CB A GLN DA 5 ? 1.0880 1.0094 1.0101 -0.0253 -0.0177 0.0174 5 GLN m CB +43108 C CB B GLN DA 5 ? 1.0881 1.0096 1.0103 -0.0254 -0.0177 0.0174 5 GLN m CB +43109 C CG A GLN DA 5 ? 1.2077 1.1274 1.1278 -0.0244 -0.0176 0.0178 5 GLN m CG +43110 C CG B GLN DA 5 ? 1.0291 0.9483 0.9500 -0.0267 -0.0170 0.0170 5 GLN m CG +43111 C CD A GLN DA 5 ? 0.9277 0.8493 0.8486 -0.0230 -0.0181 0.0182 5 GLN m CD +43112 C CD B GLN DA 5 ? 1.0887 1.0046 1.0063 -0.0261 -0.0167 0.0173 5 GLN m CD +43113 O OE1 A GLN DA 5 ? 1.0678 0.9897 0.9883 -0.0219 -0.0183 0.0183 5 GLN m OE1 +43114 O OE1 B GLN DA 5 ? 1.2819 1.1977 1.1988 -0.0252 -0.0169 0.0177 5 GLN m OE1 +43115 N NE2 A GLN DA 5 ? 1.0734 0.9965 0.9955 -0.0230 -0.0183 0.0184 5 GLN m NE2 +43116 N NE2 B GLN DA 5 ? 0.7198 0.6329 0.6353 -0.0267 -0.0163 0.0170 5 GLN m NE2 +43117 N N . LEU DA 6 ? 0.6811 0.6032 0.6046 -0.0269 -0.0181 0.0164 6 LEU m N +43118 C CA . LEU DA 6 ? 0.7422 0.6660 0.6674 -0.0274 -0.0186 0.0159 6 LEU m CA +43119 C C . LEU DA 6 ? 0.6077 0.5312 0.5320 -0.0265 -0.0191 0.0160 6 LEU m C +43120 O O . LEU DA 6 ? 0.7049 0.6299 0.6304 -0.0266 -0.0197 0.0157 6 LEU m O +43121 C CB . LEU DA 6 ? 0.6951 0.6183 0.6208 -0.0290 -0.0184 0.0151 6 LEU m CB +43122 C CG . LEU DA 6 ? 0.8741 0.7983 0.8013 -0.0299 -0.0179 0.0150 6 LEU m CG +43123 C CD1 . LEU DA 6 ? 1.0306 0.9546 0.9586 -0.0316 -0.0175 0.0141 6 LEU m CD1 +43124 C CD2 . LEU DA 6 ? 0.6754 0.6024 0.6052 -0.0295 -0.0182 0.0152 6 LEU m CD2 +43125 N N . GLY DA 7 ? 0.6377 0.5594 0.5597 -0.0256 -0.0189 0.0162 7 GLY m N +43126 C CA . GLY DA 7 ? 0.6148 0.5362 0.5357 -0.0246 -0.0193 0.0163 7 GLY m CA +43127 C C . GLY DA 7 ? 0.7209 0.6448 0.6434 -0.0239 -0.0195 0.0168 7 GLY m C +43128 O O . GLY DA 7 ? 0.6745 0.5986 0.5966 -0.0235 -0.0198 0.0167 7 GLY m O +43129 N N . LEU DA 8 ? 0.5773 0.5029 0.5014 -0.0237 -0.0192 0.0173 8 LEU m N +43130 C CA . LEU DA 8 ? 0.6605 0.5881 0.5859 -0.0231 -0.0193 0.0178 8 LEU m CA +43131 C C . LEU DA 8 ? 0.6547 0.5835 0.5816 -0.0238 -0.0198 0.0176 8 LEU m C +43132 O O . LEU DA 8 ? 0.6595 0.5887 0.5861 -0.0233 -0.0200 0.0177 8 LEU m O +43133 C CB . LEU DA 8 ? 0.5752 0.5041 0.5020 -0.0230 -0.0190 0.0182 8 LEU m CB +43134 C CG . LEU DA 8 ? 0.6546 0.5856 0.5831 -0.0227 -0.0190 0.0187 8 LEU m CG +43135 C CD1 . LEU DA 8 ? 0.7037 0.6347 0.6312 -0.0218 -0.0187 0.0190 8 LEU m CD1 +43136 C CD2 . LEU DA 8 ? 0.6308 0.5630 0.5606 -0.0227 -0.0188 0.0190 8 LEU m CD2 +43137 N N . ILE DA 9 ? 0.5843 0.5136 0.5125 -0.0248 -0.0199 0.0172 9 ILE m N +43138 C CA . ILE DA 9 ? 0.6038 0.5343 0.5335 -0.0251 -0.0205 0.0169 9 ILE m CA +43139 C C . ILE DA 9 ? 0.6109 0.5406 0.5396 -0.0253 -0.0211 0.0163 9 ILE m C +43140 O O . ILE DA 9 ? 0.6460 0.5764 0.5749 -0.0250 -0.0217 0.0163 9 ILE m O +43141 C CB . ILE DA 9 ? 0.6498 0.5813 0.5814 -0.0260 -0.0204 0.0166 9 ILE m CB +43142 C CG1 . ILE DA 9 ? 0.7563 0.6892 0.6895 -0.0261 -0.0210 0.0164 9 ILE m CG1 +43143 C CG2 . ILE DA 9 ? 0.5908 0.5211 0.5219 -0.0270 -0.0201 0.0160 9 ILE m CG2 +43144 C CD1 . ILE DA 9 ? 0.7388 0.6730 0.6737 -0.0262 -0.0209 0.0165 9 ILE m CD1 +43145 N N . ALA DA 10 ? 0.5619 0.4899 0.4892 -0.0257 -0.0210 0.0158 10 ALA m N +43146 C CA . ALA DA 10 ? 0.6582 0.5854 0.5844 -0.0259 -0.0216 0.0151 10 ALA m CA +43147 C C . ALA DA 10 ? 0.6922 0.6189 0.6168 -0.0247 -0.0219 0.0155 10 ALA m C +43148 O O . ALA DA 10 ? 0.6297 0.5567 0.5540 -0.0246 -0.0227 0.0152 10 ALA m O +43149 C CB . ALA DA 10 ? 0.5976 0.5226 0.5222 -0.0266 -0.0213 0.0146 10 ALA m CB +43150 N N . THR DA 11 ? 0.5859 0.5118 0.5091 -0.0238 -0.0212 0.0162 11 THR m N +43151 C CA . THR DA 11 ? 0.6060 0.5316 0.5276 -0.0227 -0.0212 0.0166 11 THR m CA +43152 C C . THR DA 11 ? 0.6530 0.5802 0.5757 -0.0223 -0.0213 0.0171 11 THR m C +43153 O O . THR DA 11 ? 0.6373 0.5640 0.5586 -0.0217 -0.0217 0.0172 11 THR m O +43154 C CB . THR DA 11 ? 0.6122 0.5371 0.5327 -0.0217 -0.0203 0.0171 11 THR m CB +43155 O OG1 . THR DA 11 ? 0.5935 0.5164 0.5125 -0.0219 -0.0202 0.0166 11 THR m OG1 +43156 C CG2 . THR DA 11 ? 0.5530 0.4775 0.4717 -0.0206 -0.0200 0.0175 11 THR m CG2 +43157 N N . ALA DA 12 ? 0.5853 0.5140 0.5101 -0.0226 -0.0210 0.0175 12 ALA m N +43158 C CA . ALA DA 12 ? 0.6312 0.5610 0.5569 -0.0223 -0.0211 0.0181 12 ALA m CA +43159 C C . ALA DA 12 ? 0.5706 0.5005 0.4964 -0.0224 -0.0221 0.0177 12 ALA m C +43160 O O . ALA DA 12 ? 0.6938 0.6235 0.6186 -0.0218 -0.0223 0.0180 12 ALA m O +43161 C CB . ALA DA 12 ? 0.5870 0.5182 0.5148 -0.0227 -0.0206 0.0185 12 ALA m CB +43162 N N . LEU DA 13 ? 0.6380 0.5684 0.5651 -0.0232 -0.0227 0.0169 13 LEU m N +43163 C CA . LEU DA 13 ? 0.6886 0.6197 0.6163 -0.0233 -0.0238 0.0163 13 LEU m CA +43164 C C . LEU DA 13 ? 0.6902 0.6200 0.6157 -0.0229 -0.0246 0.0158 13 LEU m C +43165 O O . LEU DA 13 ? 0.6780 0.6079 0.6029 -0.0223 -0.0255 0.0157 13 LEU m O +43166 C CB . LEU DA 13 ? 0.6266 0.5589 0.5566 -0.0243 -0.0241 0.0155 13 LEU m CB +43167 C CG . LEU DA 13 ? 0.6285 0.5621 0.5606 -0.0246 -0.0235 0.0158 13 LEU m CG +43168 C CD1 . LEU DA 13 ? 0.7096 0.6444 0.6439 -0.0256 -0.0237 0.0150 13 LEU m CD1 +43169 C CD2 . LEU DA 13 ? 0.6995 0.6336 0.6319 -0.0238 -0.0238 0.0164 13 LEU m CD2 +43170 N N . PHE DA 14 ? 0.7236 0.6520 0.6475 -0.0231 -0.0242 0.0155 14 PHE m N +43171 C CA . PHE DA 14 ? 0.6728 0.5996 0.5943 -0.0227 -0.0249 0.0150 14 PHE m CA +43172 C C . PHE DA 14 ? 0.6800 0.6061 0.5994 -0.0214 -0.0248 0.0158 14 PHE m C +43173 O O . PHE DA 14 ? 0.7037 0.6291 0.6215 -0.0209 -0.0258 0.0154 14 PHE m O +43174 C CB . PHE DA 14 ? 0.7662 0.6912 0.6860 -0.0229 -0.0242 0.0148 14 PHE m CB +43175 C CG . PHE DA 14 ? 0.6766 0.5998 0.5939 -0.0227 -0.0249 0.0140 14 PHE m CG +43176 C CD1 . PHE DA 14 ? 0.8606 0.7825 0.7752 -0.0215 -0.0248 0.0144 14 PHE m CD1 +43177 C CD2 . PHE DA 14 ? 0.8513 0.7738 0.7687 -0.0239 -0.0256 0.0129 14 PHE m CD2 +43178 C CE1 . PHE DA 14 ? 0.9048 0.8247 0.8167 -0.0212 -0.0255 0.0137 14 PHE m CE1 +43179 C CE2 . PHE DA 14 ? 0.8911 0.8117 0.8061 -0.0237 -0.0263 0.0121 14 PHE m CE2 +43180 C CZ . PHE DA 14 ? 0.8645 0.7837 0.7766 -0.0224 -0.0263 0.0125 14 PHE m CZ +43181 N N . VAL DA 15 ? 0.6351 0.5613 0.5544 -0.0209 -0.0236 0.0168 15 VAL m N +43182 C CA . VAL DA 15 ? 0.6967 0.6222 0.6141 -0.0199 -0.0232 0.0176 15 VAL m CA +43183 C C . VAL DA 15 ? 0.6971 0.6234 0.6153 -0.0197 -0.0239 0.0179 15 VAL m C +43184 O O . VAL DA 15 ? 0.7135 0.6388 0.6297 -0.0190 -0.0245 0.0180 15 VAL m O +43185 C CB . VAL DA 15 ? 0.7453 0.6711 0.6628 -0.0196 -0.0217 0.0185 15 VAL m CB +43186 C CG1 . VAL DA 15 ? 0.6350 0.5604 0.5510 -0.0188 -0.0211 0.0193 15 VAL m CG1 +43187 C CG2 . VAL DA 15 ? 0.6314 0.5562 0.5476 -0.0193 -0.0211 0.0182 15 VAL m CG2 +43188 N N A LEU DA 16 ? 0.6062 0.5341 0.5271 -0.0203 -0.0238 0.0180 16 LEU m N +43189 N N B LEU DA 16 ? 0.6062 0.5340 0.5271 -0.0203 -0.0238 0.0180 16 LEU m N +43190 C CA A LEU DA 16 ? 0.6602 0.5883 0.5816 -0.0200 -0.0240 0.0186 16 LEU m CA +43191 C CA B LEU DA 16 ? 0.6604 0.5886 0.5818 -0.0200 -0.0240 0.0186 16 LEU m CA +43192 C C A LEU DA 16 ? 0.6216 0.5498 0.5428 -0.0196 -0.0256 0.0179 16 LEU m C +43193 C C B LEU DA 16 ? 0.6214 0.5496 0.5426 -0.0196 -0.0256 0.0179 16 LEU m C +43194 O O A LEU DA 16 ? 0.6332 0.5606 0.5529 -0.0188 -0.0260 0.0184 16 LEU m O +43195 O O B LEU DA 16 ? 0.6347 0.5619 0.5542 -0.0187 -0.0260 0.0184 16 LEU m O +43196 C CB A LEU DA 16 ? 0.6430 0.5726 0.5672 -0.0207 -0.0234 0.0189 16 LEU m CB +43197 C CB B LEU DA 16 ? 0.6435 0.5731 0.5677 -0.0207 -0.0234 0.0188 16 LEU m CB +43198 C CG A LEU DA 16 ? 0.8440 0.7736 0.7683 -0.0207 -0.0220 0.0199 16 LEU m CG +43199 C CG B LEU DA 16 ? 0.7743 0.7040 0.6989 -0.0204 -0.0233 0.0195 16 LEU m CG +43200 C CD1 A LEU DA 16 ? 0.7939 0.7226 0.7161 -0.0202 -0.0211 0.0203 16 LEU m CD1 +43201 C CD1 B LEU DA 16 ? 0.7706 0.6990 0.6931 -0.0200 -0.0223 0.0205 16 LEU m CD1 +43202 C CD2 A LEU DA 16 ? 0.6427 0.5737 0.5694 -0.0215 -0.0215 0.0197 16 LEU m CD2 +43203 C CD2 B LEU DA 16 ? 0.7111 0.6421 0.6384 -0.0212 -0.0229 0.0195 16 LEU m CD2 +43204 N N . VAL DA 17 ? 0.6335 0.5628 0.5563 -0.0202 -0.0265 0.0169 17 VAL m N +43205 C CA . VAL DA 17 ? 0.6236 0.5537 0.5471 -0.0199 -0.0281 0.0161 17 VAL m CA +43206 C C . VAL DA 17 ? 0.6206 0.5492 0.5412 -0.0189 -0.0291 0.0159 17 VAL m C +43207 O O . VAL DA 17 ? 0.7126 0.6408 0.6322 -0.0179 -0.0300 0.0161 17 VAL m O +43208 C CB . VAL DA 17 ? 0.7513 0.6833 0.6777 -0.0210 -0.0286 0.0149 17 VAL m CB +43209 C CG1 . VAL DA 17 ? 0.7061 0.6392 0.6332 -0.0206 -0.0304 0.0139 17 VAL m CG1 +43210 C CG2 . VAL DA 17 ? 0.6596 0.5930 0.5887 -0.0217 -0.0277 0.0152 17 VAL m CG2 +43211 N N . PRO DA 18 ? 0.6768 0.6042 0.5954 -0.0190 -0.0292 0.0155 18 PRO m N +43212 C CA . PRO DA 18 ? 0.6292 0.5550 0.5446 -0.0180 -0.0303 0.0153 18 PRO m CA +43213 C C . PRO DA 18 ? 0.7246 0.6484 0.6370 -0.0169 -0.0294 0.0165 18 PRO m C +43214 O O . PRO DA 18 ? 0.6201 0.5426 0.5300 -0.0158 -0.0303 0.0167 18 PRO m O +43215 C CB . PRO DA 18 ? 0.6585 0.5834 0.5727 -0.0186 -0.0304 0.0144 18 PRO m CB +43216 C CG . PRO DA 18 ? 0.6644 0.5899 0.5804 -0.0196 -0.0290 0.0145 18 PRO m CG +43217 C CD . PRO DA 18 ? 0.5938 0.5212 0.5130 -0.0201 -0.0284 0.0150 18 PRO m CD +43218 N N . SER DA 19 ? 0.6347 0.5583 0.5471 -0.0172 -0.0275 0.0175 19 SER m N +43219 C CA . SER DA 19 ? 0.6661 0.5881 0.5761 -0.0164 -0.0265 0.0188 19 SER m CA +43220 C C . SER DA 19 ? 0.6207 0.5425 0.5308 -0.0158 -0.0270 0.0193 19 SER m C +43221 O O . SER DA 19 ? 0.6962 0.6161 0.6032 -0.0148 -0.0272 0.0199 19 SER m O +43222 C CB . SER DA 19 ? 0.6136 0.5361 0.5246 -0.0169 -0.0245 0.0196 19 SER m CB +43223 O OG . SER DA 19 ? 0.6591 0.5811 0.5692 -0.0170 -0.0238 0.0192 19 SER m OG +43224 N N . VAL DA 20 ? 0.7154 0.6391 0.6289 -0.0164 -0.0273 0.0191 20 VAL m N +43225 C CA . VAL DA 20 ? 0.7868 0.7103 0.7004 -0.0159 -0.0277 0.0196 20 VAL m CA +43226 C C . VAL DA 20 ? 0.6012 0.5241 0.5133 -0.0147 -0.0298 0.0189 20 VAL m C +43227 O O . VAL DA 20 ? 0.6661 0.5873 0.5759 -0.0136 -0.0302 0.0196 20 VAL m O +43228 C CB . VAL DA 20 ? 0.7527 0.6782 0.6701 -0.0167 -0.0275 0.0194 20 VAL m CB +43229 C CG1 . VAL DA 20 ? 0.9726 0.8981 0.8904 -0.0159 -0.0286 0.0194 20 VAL m CG1 +43230 C CG2 . VAL DA 20 ? 0.6761 0.6016 0.5942 -0.0175 -0.0256 0.0204 20 VAL m CG2 +43231 N N . PHE DA 21 ? 0.6164 0.5406 0.5296 -0.0150 -0.0311 0.0176 21 PHE m N +43232 C CA . PHE DA 21 ? 0.7158 0.6398 0.6277 -0.0139 -0.0332 0.0168 21 PHE m CA +43233 C C . PHE DA 21 ? 0.6659 0.5868 0.5729 -0.0126 -0.0334 0.0175 21 PHE m C +43234 O O . PHE DA 21 ? 0.6780 0.5976 0.5828 -0.0113 -0.0346 0.0177 21 PHE m O +43235 C CB . PHE DA 21 ? 0.6530 0.5788 0.5668 -0.0147 -0.0343 0.0153 21 PHE m CB +43236 C CG . PHE DA 21 ? 0.6988 0.6245 0.6111 -0.0138 -0.0366 0.0143 21 PHE m CG +43237 C CD1 . PHE DA 21 ? 0.7969 0.7240 0.7106 -0.0129 -0.0383 0.0137 21 PHE m CD1 +43238 C CD2 . PHE DA 21 ? 0.6829 0.6070 0.5923 -0.0137 -0.0370 0.0137 21 PHE m CD2 +43239 C CE1 . PHE DA 21 ? 0.7539 0.6812 0.6664 -0.0119 -0.0406 0.0126 21 PHE m CE1 +43240 C CE2 . PHE DA 21 ? 0.8199 0.7438 0.7278 -0.0128 -0.0393 0.0127 21 PHE m CE2 +43241 C CZ . PHE DA 21 ? 0.6589 0.5845 0.5684 -0.0120 -0.0411 0.0121 21 PHE m CZ +43242 N N . LEU DA 22 ? 0.6624 0.5819 0.5672 -0.0130 -0.0320 0.0179 22 LEU m N +43243 C CA . LEU DA 22 ? 0.6342 0.5507 0.5342 -0.0118 -0.0319 0.0185 22 LEU m CA +43244 C C . LEU DA 22 ? 0.6435 0.5580 0.5413 -0.0111 -0.0308 0.0200 22 LEU m C +43245 O O . LEU DA 22 ? 0.6601 0.5721 0.5541 -0.0098 -0.0315 0.0204 22 LEU m O +43246 C CB . LEU DA 22 ? 0.6761 0.5918 0.5747 -0.0123 -0.0305 0.0185 22 LEU m CB +43247 C CG . LEU DA 22 ? 0.7432 0.6597 0.6425 -0.0129 -0.0315 0.0171 22 LEU m CG +43248 C CD1 . LEU DA 22 ? 0.6461 0.5615 0.5439 -0.0132 -0.0297 0.0174 22 LEU m CD1 +43249 C CD2 . LEU DA 22 ? 0.6488 0.5641 0.5453 -0.0119 -0.0337 0.0162 22 LEU m CD2 +43250 N N . ILE DA 23 ? 0.6399 0.5553 0.5401 -0.0121 -0.0291 0.0208 23 ILE m N +43251 C CA . ILE DA 23 ? 0.6503 0.5637 0.5487 -0.0117 -0.0278 0.0222 23 ILE m CA +43252 C C . ILE DA 23 ? 0.7298 0.6424 0.6276 -0.0107 -0.0293 0.0223 23 ILE m C +43253 O O . ILE DA 23 ? 0.6982 0.6077 0.5922 -0.0096 -0.0292 0.0232 23 ILE m O +43254 C CB . ILE DA 23 ? 0.6531 0.5681 0.5547 -0.0131 -0.0258 0.0228 23 ILE m CB +43255 C CG1 . ILE DA 23 ? 0.6895 0.6048 0.5908 -0.0138 -0.0242 0.0229 23 ILE m CG1 +43256 C CG2 . ILE DA 23 ? 0.6835 0.5965 0.5837 -0.0131 -0.0247 0.0241 23 ILE m CG2 +43257 C CD1 . ILE DA 23 ? 0.6823 0.6000 0.5876 -0.0151 -0.0230 0.0229 23 ILE m CD1 +43258 N N . ILE DA 24 ? 0.6398 0.5549 0.5412 -0.0108 -0.0307 0.0214 24 ILE m N +43259 C CA . ILE DA 24 ? 0.6474 0.5620 0.5485 -0.0096 -0.0325 0.0212 24 ILE m CA +43260 C C . ILE DA 24 ? 0.7374 0.6497 0.6341 -0.0079 -0.0341 0.0210 24 ILE m C +43261 O O . ILE DA 24 ? 0.7255 0.6350 0.6188 -0.0065 -0.0345 0.0218 24 ILE m O +43262 C CB . ILE DA 24 ? 0.6605 0.5787 0.5663 -0.0100 -0.0338 0.0199 24 ILE m CB +43263 C CG1 . ILE DA 24 ? 0.6512 0.5711 0.5607 -0.0114 -0.0322 0.0202 24 ILE m CG1 +43264 C CG2 . ILE DA 24 ? 0.6182 0.5364 0.5237 -0.0083 -0.0359 0.0194 24 ILE m CG2 +43265 C CD1 . ILE DA 24 ? 0.7200 0.6435 0.6341 -0.0122 -0.0330 0.0189 24 ILE m CD1 +43266 N N . LEU DA 25 ? 0.6936 0.6070 0.5902 -0.0079 -0.0352 0.0199 25 LEU m N +43267 C CA . LEU DA 25 ? 0.7048 0.6162 0.5974 -0.0063 -0.0371 0.0195 25 LEU m CA +43268 C C . LEU DA 25 ? 0.7249 0.6321 0.6118 -0.0055 -0.0359 0.0209 25 LEU m C +43269 O O . LEU DA 25 ? 0.7121 0.6166 0.5949 -0.0038 -0.0371 0.0211 25 LEU m O +43270 C CB . LEU DA 25 ? 0.6294 0.5424 0.5227 -0.0068 -0.0384 0.0179 25 LEU m CB +43271 C CG . LEU DA 25 ? 0.7996 0.7166 0.6978 -0.0074 -0.0400 0.0163 25 LEU m CG +43272 C CD1 . LEU DA 25 ? 0.7717 0.6893 0.6693 -0.0075 -0.0417 0.0148 25 LEU m CD1 +43273 C CD2 . LEU DA 25 ? 0.8283 0.7462 0.7278 -0.0061 -0.0417 0.0161 25 LEU m CD2 +43274 N N . TYR DA 26 ? 0.6448 0.5514 0.5315 -0.0066 -0.0333 0.0217 26 TYR m N +43275 C CA . TYR DA 26 ? 0.6709 0.5738 0.5524 -0.0060 -0.0318 0.0230 26 TYR m CA +43276 C C . TYR DA 26 ? 0.7542 0.6545 0.6337 -0.0055 -0.0311 0.0244 26 TYR m C +43277 O O . TYR DA 26 ? 0.7340 0.6306 0.6084 -0.0041 -0.0313 0.0252 26 TYR m O +43278 C CB . TYR DA 26 ? 0.6614 0.5647 0.5436 -0.0074 -0.0293 0.0235 26 TYR m CB +43279 C CG . TYR DA 26 ? 0.7327 0.6326 0.6103 -0.0070 -0.0272 0.0249 26 TYR m CG +43280 C CD1 . TYR DA 26 ? 0.6277 0.5245 0.4999 -0.0057 -0.0277 0.0250 26 TYR m CD1 +43281 C CD2 . TYR DA 26 ? 0.6605 0.5602 0.5392 -0.0081 -0.0248 0.0261 26 TYR m CD2 +43282 C CE1 . TYR DA 26 ? 0.7884 0.6819 0.6562 -0.0054 -0.0256 0.0263 26 TYR m CE1 +43283 C CE2 . TYR DA 26 ? 0.6806 0.5772 0.5551 -0.0079 -0.0227 0.0274 26 TYR m CE2 +43284 C CZ . TYR DA 26 ? 0.7785 0.6720 0.6476 -0.0066 -0.0230 0.0276 26 TYR m CZ +43285 O OH . TYR DA 26 ? 0.8482 0.7386 0.7130 -0.0065 -0.0207 0.0289 26 TYR m OH +43286 N N . VAL DA 27 ? 0.6890 0.5910 0.5724 -0.0065 -0.0301 0.0248 27 VAL m N +43287 C CA . VAL DA 27 ? 0.7013 0.6006 0.5828 -0.0063 -0.0291 0.0261 27 VAL m CA +43288 C C . VAL DA 27 ? 0.7677 0.6651 0.6468 -0.0043 -0.0314 0.0260 27 VAL m C +43289 O O . VAL DA 27 ? 0.6864 0.5796 0.5608 -0.0033 -0.0310 0.0272 27 VAL m O +43290 C CB . VAL DA 27 ? 0.6929 0.5945 0.5792 -0.0079 -0.0278 0.0263 27 VAL m CB +43291 C CG1 . VAL DA 27 ? 0.6968 0.5954 0.5811 -0.0076 -0.0269 0.0276 27 VAL m CG1 +43292 C CG2 . VAL DA 27 ? 0.6089 0.5121 0.4971 -0.0096 -0.0255 0.0266 27 VAL m CG2 +43293 N N . GLN DA 28 ? 0.6276 0.5278 0.5097 -0.0037 -0.0338 0.0246 28 GLN m N +43294 C CA . GLN DA 28 ? 0.6681 0.5667 0.5480 -0.0016 -0.0362 0.0244 28 GLN m CA +43295 C C . GLN DA 28 ? 0.7425 0.6383 0.6169 0.0001 -0.0375 0.0244 28 GLN m C +43296 O O . GLN DA 28 ? 0.7302 0.6235 0.6013 0.0021 -0.0393 0.0245 28 GLN m O +43297 C CB . GLN DA 28 ? 0.7010 0.6038 0.5860 -0.0014 -0.0383 0.0228 28 GLN m CB +43298 C CG . GLN DA 28 ? 0.6757 0.5819 0.5631 -0.0018 -0.0398 0.0212 28 GLN m CG +43299 C CD . GLN DA 28 ? 0.7705 0.6754 0.6544 0.0001 -0.0424 0.0205 28 GLN m CD +43300 O OE1 . GLN DA 28 ? 0.7245 0.6284 0.6070 0.0020 -0.0442 0.0204 28 GLN m OE1 +43301 N NE2 . GLN DA 28 ? 0.7476 0.6523 0.6297 -0.0002 -0.0426 0.0199 28 GLN m NE2 +43302 N N . THR DA 29 ? 0.7339 0.6298 0.6071 -0.0006 -0.0368 0.0241 29 THR m N +43303 C CA . THR DA 29 ? 0.7450 0.6373 0.6120 0.0009 -0.0377 0.0243 29 THR m CA +43304 C C . THR DA 29 ? 0.7724 0.6598 0.6340 0.0013 -0.0356 0.0262 29 THR m C +43305 O O . THR DA 29 ? 0.8158 0.6993 0.6720 0.0032 -0.0366 0.0267 29 THR m O +43306 C CB . THR DA 29 ? 0.6636 0.5573 0.5307 0.0002 -0.0375 0.0234 29 THR m CB +43307 O OG1 . THR DA 29 ? 0.7339 0.6319 0.6059 -0.0004 -0.0394 0.0216 29 THR m OG1 +43308 C CG2 . THR DA 29 ? 0.6272 0.5170 0.4876 0.0019 -0.0385 0.0235 29 THR m CG2 +43309 N N . GLU DA 30 ? 0.7553 0.6428 0.6183 -0.0005 -0.0325 0.0272 30 GLU m N +43310 C CA . GLU DA 30 ? 0.7730 0.6561 0.6314 -0.0005 -0.0301 0.0290 30 GLU m CA +43311 C C . GLU DA 30 ? 0.9305 0.8104 0.7865 0.0006 -0.0306 0.0300 30 GLU m C +43312 O O . GLU DA 30 ? 0.7990 0.6740 0.6492 0.0014 -0.0297 0.0313 30 GLU m O +43313 C CB . GLU DA 30 ? 0.8634 0.7482 0.7250 -0.0028 -0.0270 0.0296 30 GLU m CB +43314 C CG . GLU DA 30 ? 0.8830 0.7694 0.7450 -0.0036 -0.0258 0.0292 30 GLU m CG +43315 C CD . GLU DA 30 ? 0.9488 0.8310 0.8043 -0.0028 -0.0246 0.0301 30 GLU m CD +43316 O OE1 . GLU DA 30 ? 1.2865 1.1662 1.1398 -0.0035 -0.0220 0.0315 30 GLU m OE1 +43317 O OE2 . GLU DA 30 ? 1.0810 0.9624 0.9336 -0.0016 -0.0261 0.0293 30 GLU m OE2 +43318 N N . SER DA 31 ? 0.8995 0.7819 0.7598 0.0006 -0.0319 0.0294 31 SER m N +43319 C CA . SER DA 31 ? 0.9101 0.7894 0.7685 0.0016 -0.0323 0.0303 31 SER m CA +43320 C C . SER DA 31 ? 0.8303 0.7075 0.6850 0.0045 -0.0354 0.0298 31 SER m C +43321 O O . SER DA 31 ? 0.8787 0.7524 0.7305 0.0057 -0.0358 0.0307 31 SER m O +43322 C CB . SER DA 31 ? 0.7869 0.6695 0.6513 0.0005 -0.0321 0.0299 31 SER m CB +43323 O OG . SER DA 31 ? 0.8392 0.7258 0.7078 0.0012 -0.0347 0.0282 31 SER m OG +43324 N N . GLN DA 32 ? 0.7730 0.6521 0.6277 0.0055 -0.0377 0.0285 32 GLN m N +43325 C CA . GLN DA 32 ? 0.9965 0.8734 0.8471 0.0082 -0.0407 0.0281 32 GLN m CA +43326 C C . GLN DA 32 ? 0.9782 0.8486 0.8206 0.0095 -0.0397 0.0297 32 GLN m C +43327 O O . GLN DA 32 ? 1.0450 0.9136 0.8849 0.0082 -0.0372 0.0305 32 GLN m O +43328 C CB . GLN DA 32 ? 0.8771 0.7574 0.7294 0.0087 -0.0431 0.0262 32 GLN m CB +43329 C CG . GLN DA 32 ? 1.0274 0.9139 0.8873 0.0080 -0.0447 0.0245 32 GLN m CG +43330 C CD . GLN DA 32 ? 1.0280 0.9178 0.8896 0.0078 -0.0466 0.0226 32 GLN m CD +43331 O OE1 . GLN DA 32 ? 1.0700 0.9576 0.9270 0.0092 -0.0480 0.0224 32 GLN m OE1 +43332 N NE2 . GLN DA 32 ? 0.9440 0.8390 0.8123 0.0061 -0.0466 0.0214 32 GLN m NE2 +43333 N N . GLN DA 33 ? 1.3411 1.2078 1.1792 0.0119 -0.0415 0.0301 33 GLN m N +43334 C CA . GLN DA 33 ? 1.9689 1.8286 1.7990 0.0129 -0.0401 0.0320 33 GLN m CA +43335 C C . GLN DA 33 ? 2.0468 1.9042 1.8716 0.0134 -0.0400 0.0321 33 GLN m C +43336 O O . GLN DA 33 ? 1.9086 1.7681 1.7335 0.0146 -0.0427 0.0306 33 GLN m O +43337 C CB . GLN DA 33 ? 1.9314 1.7875 1.7577 0.0158 -0.0425 0.0324 33 GLN m CB +43338 C CG . GLN DA 33 ? 1.7463 1.6032 1.5765 0.0153 -0.0420 0.0327 33 GLN m CG +43339 C CD . GLN DA 33 ? 2.0286 1.8794 1.8540 0.0149 -0.0393 0.0348 33 GLN m CD +43340 O OE1 . GLN DA 33 ? 2.1841 2.0294 2.0025 0.0153 -0.0380 0.0362 33 GLN m OE1 +43341 N NE2 . GLN DA 33 ? 1.9245 1.7759 1.7534 0.0139 -0.0383 0.0351 33 GLN m NE2 +43342 N N . LYS DA 34 ? 2.0629 1.9161 1.8831 0.0125 -0.0368 0.0337 34 LYS m N +43343 C CA . LYS DA 34 ? 1.8533 1.7037 1.6679 0.0128 -0.0359 0.0341 34 LYS m CA +43344 C C . LYS DA 34 ? 1.9692 1.8249 1.7885 0.0115 -0.0361 0.0325 34 LYS m C +43345 O O . LYS DA 34 ? 1.9745 1.8349 1.8006 0.0093 -0.0350 0.0319 34 LYS m O +43346 C CB . LYS DA 34 ? 2.0412 1.8870 1.8485 0.0160 -0.0388 0.0341 34 LYS m CB +43347 C CG . LYS DA 34 ? 2.1688 2.0100 1.9722 0.0178 -0.0396 0.0352 34 LYS m CG +43348 C CD . LYS DA 34 ? 2.4386 2.2744 2.2378 0.0166 -0.0357 0.0375 34 LYS m CD +43349 C CE . LYS DA 34 ? 2.3173 2.1478 2.1119 0.0186 -0.0367 0.0387 34 LYS m CE +43350 N NZ . LYS DA 34 ? 1.6481 1.4724 1.4374 0.0175 -0.0329 0.0410 34 LYS m NZ +43351 N N . THR EA 2 ? 1.5575 1.6055 1.5213 0.1655 -0.0033 -0.0205 4 THR o N +43352 C CA . THR EA 2 ? 1.9649 1.9979 1.9171 0.1639 -0.0048 -0.0187 4 THR o CA +43353 C C . THR EA 2 ? 1.9391 1.9665 1.8873 0.1584 -0.0013 -0.0175 4 THR o C +43354 O O . THR EA 2 ? 1.9779 2.0110 1.9302 0.1576 0.0024 -0.0182 4 THR o O +43355 C CB . THR EA 2 ? 1.9757 1.9989 1.9186 0.1707 -0.0063 -0.0191 4 THR o CB +43356 O OG1 . THR EA 2 ? 1.8773 1.8875 1.8104 0.1692 -0.0089 -0.0174 4 THR o OG1 +43357 C CG2 . THR EA 2 ? 1.8789 1.8983 1.8175 0.1728 -0.0025 -0.0196 4 THR o CG2 +43358 N N . LEU EA 3 ? 1.7883 1.8045 1.7285 0.1547 -0.0025 -0.0158 5 LEU o N +43359 C CA . LEU EA 3 ? 1.3676 1.3782 1.3039 0.1492 0.0002 -0.0145 5 LEU o CA +43360 C C . LEU EA 3 ? 1.2169 1.2122 1.1407 0.1498 -0.0006 -0.0135 5 LEU o C +43361 O O . LEU EA 3 ? 1.3805 1.3690 1.2987 0.1535 -0.0036 -0.0134 5 LEU o O +43362 C CB . LEU EA 3 ? 1.2756 1.2894 1.2163 0.1422 -0.0004 -0.0133 5 LEU o CB +43363 C CG . LEU EA 3 ? 1.3810 1.4095 1.3340 0.1406 0.0001 -0.0142 5 LEU o CG +43364 C CD1 . LEU EA 3 ? 1.3239 1.3533 1.2795 0.1337 -0.0007 -0.0129 5 LEU o CD1 +43365 C CD2 . LEU EA 3 ? 1.5281 1.5645 1.4866 0.1408 0.0044 -0.0153 5 LEU o CD2 +43366 N N . THR EA 4 ? 1.2895 1.2792 1.2089 0.1462 0.0021 -0.0127 6 THR o N +43367 C CA . THR EA 4 ? 1.2137 1.1890 1.1216 0.1457 0.0016 -0.0117 6 THR o CA +43368 C C . THR EA 4 ? 0.9959 0.9669 0.9019 0.1386 0.0014 -0.0100 6 THR o C +43369 O O . THR EA 4 ? 0.9287 0.9075 0.8420 0.1342 0.0019 -0.0096 6 THR o O +43370 C CB . THR EA 4 ? 1.1686 1.1399 1.0717 0.1481 0.0048 -0.0124 6 THR o CB +43371 O OG1 . THR EA 4 ? 1.0931 1.0694 1.0003 0.1436 0.0082 -0.0122 6 THR o OG1 +43372 C CG2 . THR EA 4 ? 1.1563 1.1331 1.0622 0.1551 0.0053 -0.0142 6 THR o CG2 +43373 N N . TYR EA 5 ? 0.9360 0.8941 0.8320 0.1376 0.0007 -0.0091 7 TYR o N +43374 C CA . TYR EA 5 ? 0.8176 0.7706 0.7109 0.1312 0.0006 -0.0076 7 TYR o CA +43375 C C . TYR EA 5 ? 0.8600 0.8186 0.7578 0.1267 0.0039 -0.0074 7 TYR o C +43376 O O . TYR EA 5 ? 0.8853 0.8469 0.7868 0.1214 0.0037 -0.0065 7 TYR o O +43377 C CB . TYR EA 5 ? 0.8354 0.7741 0.7173 0.1313 -0.0001 -0.0069 7 TYR o CB +43378 C CG . TYR EA 5 ? 1.0887 1.0217 0.9676 0.1250 -0.0007 -0.0054 7 TYR o CG +43379 C CD1 . TYR EA 5 ? 0.8556 0.7893 0.7365 0.1223 -0.0033 -0.0045 7 TYR o CD1 +43380 C CD2 . TYR EA 5 ? 0.8625 0.7894 0.7364 0.1217 0.0013 -0.0050 7 TYR o CD2 +43381 C CE1 . TYR EA 5 ? 0.7930 0.7217 0.6713 0.1166 -0.0038 -0.0031 7 TYR o CE1 +43382 C CE2 . TYR EA 5 ? 0.8418 0.7637 0.7131 0.1160 0.0007 -0.0037 7 TYR o CE2 +43383 C CZ . TYR EA 5 ? 0.9309 0.8540 0.8048 0.1135 -0.0018 -0.0028 7 TYR o CZ +43384 O OH . TYR EA 5 ? 0.8539 0.7725 0.7255 0.1081 -0.0025 -0.0015 7 TYR o OH +43385 N N . ASP EA 6 ? 0.9331 0.8933 0.8307 0.1291 0.0068 -0.0084 8 ASP o N +43386 C CA . ASP EA 6 ? 0.9028 0.8673 0.8035 0.1251 0.0101 -0.0082 8 ASP o CA +43387 C C . ASP EA 6 ? 0.8051 0.7830 0.7171 0.1233 0.0111 -0.0085 8 ASP o C +43388 O O . ASP EA 6 ? 0.9974 0.9786 0.9126 0.1183 0.0129 -0.0079 8 ASP o O +43389 C CB . ASP EA 6 ? 0.8125 0.7742 0.7091 0.1283 0.0131 -0.0092 8 ASP o CB +43390 C CG . ASP EA 6 ? 1.0636 1.0116 0.9489 0.1294 0.0122 -0.0089 8 ASP o CG +43391 O OD1 . ASP EA 6 ? 1.0356 0.9770 0.9164 0.1247 0.0122 -0.0078 8 ASP o OD1 +43392 O OD2 . ASP EA 6 ? 1.1256 1.0693 1.0065 0.1349 0.0114 -0.0097 8 ASP o OD2 +43393 N N . ASP EA 7 ? 0.9487 0.9345 0.8669 0.1271 0.0098 -0.0096 9 ASP o N +43394 C CA . ASP EA 7 ? 0.9152 0.9137 0.8442 0.1250 0.0104 -0.0099 9 ASP o CA +43395 C C . ASP EA 7 ? 0.9433 0.9419 0.8744 0.1200 0.0079 -0.0086 9 ASP o C +43396 O O . ASP EA 7 ? 1.0178 1.0239 0.9558 0.1158 0.0090 -0.0083 9 ASP o O +43397 C CB . ASP EA 7 ? 0.9873 0.9944 0.9225 0.1305 0.0094 -0.0115 9 ASP o CB +43398 C CG . ASP EA 7 ? 1.3323 1.3380 1.2644 0.1363 0.0113 -0.0127 9 ASP o CG +43399 O OD1 . ASP EA 7 ? 1.1458 1.1519 1.0773 0.1354 0.0149 -0.0130 9 ASP o OD1 +43400 O OD2 . ASP EA 7 ? 1.3423 1.3460 1.2722 0.1418 0.0092 -0.0135 9 ASP o OD2 +43401 N N . ILE EA 8 ? 0.9175 0.9075 0.8423 0.1204 0.0047 -0.0078 10 ILE o N +43402 C CA . ILE EA 8 ? 0.9338 0.9241 0.8606 0.1166 0.0020 -0.0068 10 ILE o CA +43403 C C . ILE EA 8 ? 0.8313 0.8142 0.7532 0.1108 0.0024 -0.0053 10 ILE o C +43404 O O . ILE EA 8 ? 0.8778 0.8641 0.8038 0.1062 0.0017 -0.0045 10 ILE o O +43405 C CB . ILE EA 8 ? 0.9424 0.9281 0.8655 0.1206 -0.0017 -0.0069 10 ILE o CB +43406 C CG1 . ILE EA 8 ? 1.1300 1.1255 1.0601 0.1256 -0.0025 -0.0085 10 ILE o CG1 +43407 C CG2 . ILE EA 8 ? 1.0202 1.0025 0.9421 0.1167 -0.0045 -0.0056 10 ILE o CG2 +43408 C CD1 . ILE EA 8 ? 1.2690 1.2601 1.1953 0.1301 -0.0061 -0.0086 10 ILE o CD1 +43409 N N . VAL EA 9 ? 0.8836 0.8568 0.7971 0.1109 0.0035 -0.0049 11 VAL o N +43410 C CA . VAL EA 9 ? 0.8588 0.8234 0.7666 0.1061 0.0030 -0.0035 11 VAL o CA +43411 C C . VAL EA 9 ? 0.8109 0.7812 0.7242 0.1004 0.0046 -0.0028 11 VAL o C +43412 O O . VAL EA 9 ? 0.7894 0.7665 0.7074 0.1000 0.0074 -0.0033 11 VAL o O +43413 C CB . VAL EA 9 ? 0.9905 0.9446 0.8889 0.1073 0.0042 -0.0034 11 VAL o CB +43414 C CG1 . VAL EA 9 ? 0.7531 0.7108 0.6528 0.1082 0.0079 -0.0042 11 VAL o CG1 +43415 C CG2 . VAL EA 9 ? 0.7648 0.7102 0.6574 0.1024 0.0033 -0.0021 11 VAL o CG2 +43416 N N . GLY EA 10 ? 0.7640 0.7318 0.6768 0.0961 0.0028 -0.0016 12 GLY o N +43417 C CA . GLY EA 10 ? 0.6679 0.6399 0.5851 0.0907 0.0039 -0.0008 12 GLY o CA +43418 C C . GLY EA 10 ? 0.8524 0.8361 0.7796 0.0897 0.0039 -0.0012 12 GLY o C +43419 O O . GLY EA 10 ? 0.7841 0.7710 0.7149 0.0850 0.0045 -0.0005 12 GLY o O +43420 N N . THR EA 11 ? 0.8508 0.8408 0.7825 0.0939 0.0032 -0.0024 13 THR o N +43421 C CA . THR EA 11 ? 0.7472 0.7488 0.6887 0.0928 0.0033 -0.0029 13 THR o CA +43422 C C . THR EA 11 ? 0.8524 0.8553 0.7965 0.0908 0.0001 -0.0024 13 THR o C +43423 O O . THR EA 11 ? 0.8317 0.8430 0.7834 0.0883 0.0002 -0.0025 13 THR o O +43424 C CB . THR EA 11 ? 0.8210 0.8301 0.7673 0.0980 0.0039 -0.0045 13 THR o CB +43425 O OG1 . THR EA 11 ? 0.8162 0.8216 0.7592 0.1026 0.0009 -0.0049 13 THR o OG1 +43426 C CG2 . THR EA 11 ? 0.8726 0.8804 0.8163 0.1001 0.0073 -0.0051 13 THR o CG2 +43427 N N . GLY EA 12 ? 0.7723 0.7669 0.7099 0.0919 -0.0027 -0.0018 14 GLY o N +43428 C CA . GLY EA 12 ? 0.7601 0.7560 0.6999 0.0912 -0.0059 -0.0015 14 GLY o CA +43429 C C . GLY EA 12 ? 0.8856 0.8852 0.8275 0.0965 -0.0081 -0.0026 14 GLY o C +43430 O O . GLY EA 12 ? 0.7938 0.7926 0.7356 0.0967 -0.0111 -0.0024 14 GLY o O +43431 N N . LEU EA 13 ? 0.7855 0.7889 0.7291 0.1010 -0.0067 -0.0039 15 LEU o N +43432 C CA . LEU EA 13 ? 0.8794 0.8860 0.8247 0.1065 -0.0090 -0.0051 15 LEU o CA +43433 C C . LEU EA 13 ? 0.8760 0.8719 0.8122 0.1096 -0.0116 -0.0045 15 LEU o C +43434 O O . LEU EA 13 ? 0.8820 0.8792 0.8188 0.1132 -0.0144 -0.0051 15 LEU o O +43435 C CB . LEU EA 13 ? 0.7010 0.7139 0.6499 0.1108 -0.0067 -0.0066 15 LEU o CB +43436 C CG . LEU EA 13 ? 0.9912 1.0163 0.9501 0.1086 -0.0042 -0.0074 15 LEU o CG +43437 C CD1 . LEU EA 13 ? 0.9191 0.9490 0.8803 0.1133 -0.0018 -0.0089 15 LEU o CD1 +43438 C CD2 . LEU EA 13 ? 0.7755 0.8096 0.7426 0.1073 -0.0064 -0.0078 15 LEU o CD2 +43439 N N . ALA EA 14 ? 0.6758 0.6608 0.6033 0.1083 -0.0109 -0.0035 16 ALA o N +43440 C CA . ALA EA 14 ? 0.7207 0.6950 0.6394 0.1110 -0.0132 -0.0030 16 ALA o CA +43441 C C . ALA EA 14 ? 0.8281 0.8005 0.7462 0.1091 -0.0164 -0.0022 16 ALA o C +43442 O O . ALA EA 14 ? 0.8414 0.8074 0.7539 0.1123 -0.0188 -0.0020 16 ALA o O +43443 C CB . ALA EA 14 ? 0.6431 0.6064 0.5530 0.1092 -0.0117 -0.0021 16 ALA o CB +43444 N N . ASN EA 15 ? 0.7743 0.7518 0.6978 0.1042 -0.0164 -0.0016 17 ASN o N +43445 C CA . ASN EA 15 ? 0.7945 0.7712 0.7181 0.1023 -0.0192 -0.0009 17 ASN o CA +43446 C C . ASN EA 15 ? 0.7383 0.7252 0.6698 0.1044 -0.0211 -0.0020 17 ASN o C +43447 O O . ASN EA 15 ? 0.7662 0.7542 0.6992 0.1025 -0.0234 -0.0016 17 ASN o O +43448 C CB . ASN EA 15 ? 0.6631 0.6391 0.5878 0.0956 -0.0184 0.0002 17 ASN o CB +43449 C CG . ASN EA 15 ? 0.6811 0.6523 0.6028 0.0935 -0.0211 0.0012 17 ASN o CG +43450 O OD1 . ASN EA 15 ? 0.8015 0.7638 0.7157 0.0954 -0.0227 0.0018 17 ASN o OD1 +43451 N ND2 . ASN EA 15 ? 0.6331 0.6102 0.5606 0.0896 -0.0216 0.0015 17 ASN o ND2 +43452 N N . LYS EA 16 ? 0.8107 0.8053 0.7473 0.1083 -0.0204 -0.0035 18 LYS o N +43453 C CA . LYS EA 16 ? 0.8492 0.8538 0.7935 0.1106 -0.0223 -0.0047 18 LYS o CA +43454 C C . LYS EA 16 ? 0.7821 0.7848 0.7234 0.1175 -0.0246 -0.0056 18 LYS o C +43455 O O . LYS EA 16 ? 0.8994 0.8960 0.8348 0.1211 -0.0237 -0.0057 18 LYS o O +43456 C CB . LYS EA 16 ? 0.8805 0.8971 0.8346 0.1096 -0.0198 -0.0058 18 LYS o CB +43457 C CG . LYS EA 16 ? 0.8656 0.8845 0.8231 0.1028 -0.0179 -0.0050 18 LYS o CG +43458 C CD . LYS EA 16 ? 1.1959 1.2274 1.1638 0.1014 -0.0160 -0.0061 18 LYS o CD +43459 C CE . LYS EA 16 ? 1.1808 1.2138 1.1516 0.0947 -0.0143 -0.0051 18 LYS o CE +43460 N NZ . LYS EA 16 ? 1.2839 1.3120 1.2518 0.0916 -0.0170 -0.0040 18 LYS o NZ +43461 N N . CYS EA 17 ? 0.8380 0.8456 0.7829 0.1193 -0.0276 -0.0062 19 CYS o N +43462 C CA . CYS EA 17 ? 0.9147 0.9213 0.8572 0.1261 -0.0300 -0.0071 19 CYS o CA +43463 C C . CYS EA 17 ? 0.9208 0.9391 0.8718 0.1298 -0.0291 -0.0090 19 CYS o C +43464 O O . CYS EA 17 ? 0.8480 0.8767 0.8081 0.1268 -0.0276 -0.0097 19 CYS o O +43465 C CB . CYS EA 17 ? 0.8681 0.8741 0.8099 0.1270 -0.0341 -0.0069 19 CYS o CB +43466 S SG . CYS EA 17 ? 0.7915 0.7839 0.7231 0.1235 -0.0356 -0.0048 19 CYS o SG +43467 N N . PRO EA 18 ? 0.8330 0.8501 0.7814 0.1363 -0.0300 -0.0100 20 PRO o N +43468 C CA . PRO EA 18 ? 0.7719 0.8009 0.7290 0.1404 -0.0297 -0.0120 20 PRO o CA +43469 C C . PRO EA 18 ? 0.8127 0.8526 0.7789 0.1395 -0.0322 -0.0129 20 PRO o C +43470 O O . PRO EA 18 ? 0.9634 1.0003 0.9276 0.1376 -0.0350 -0.0121 20 PRO o O +43471 C CB . PRO EA 18 ? 0.8206 0.8440 0.7714 0.1478 -0.0314 -0.0125 20 PRO o CB +43472 C CG . PRO EA 18 ? 0.9113 0.9198 0.8504 0.1469 -0.0308 -0.0109 20 PRO o CG +43473 C CD . PRO EA 18 ? 0.8469 0.8514 0.7843 0.1403 -0.0312 -0.0093 20 PRO o CD +43474 N N . THR EA 19 ? 0.9404 0.9929 0.9165 0.1408 -0.0311 -0.0146 21 THR o N +43475 C CA . THR EA 19 ? 0.9652 1.0293 0.9508 0.1406 -0.0335 -0.0159 21 THR o CA +43476 C C . THR EA 19 ? 1.0317 1.1038 1.0222 0.1475 -0.0346 -0.0180 21 THR o C +43477 O O . THR EA 19 ? 1.1928 1.2627 1.1804 0.1518 -0.0330 -0.0185 21 THR o O +43478 C CB . THR EA 19 ? 1.0816 1.1552 1.0764 0.1344 -0.0309 -0.0162 21 THR o CB +43479 O OG1 . THR EA 19 ? 1.0905 1.1690 1.0891 0.1349 -0.0268 -0.0169 21 THR o OG1 +43480 C CG2 . THR EA 19 ? 1.1396 1.2056 1.1298 0.1278 -0.0300 -0.0142 21 THR o CG2 +43481 N N . LEU EA 20 ? 1.2601 1.3418 1.2581 0.1485 -0.0376 -0.0194 22 LEU o N +43482 C CA . LEU EA 20 ? 1.0436 1.1353 1.0483 0.1546 -0.0388 -0.0216 22 LEU o CA +43483 C C . LEU EA 20 ? 1.1193 1.2264 1.1374 0.1515 -0.0378 -0.0232 22 LEU o C +43484 O O . LEU EA 20 ? 1.1980 1.3075 1.2196 0.1451 -0.0372 -0.0226 22 LEU o O +43485 C CB . LEU EA 20 ? 1.0145 1.1035 1.0156 0.1598 -0.0439 -0.0220 22 LEU o CB +43486 C CG . LEU EA 20 ? 1.0033 1.0764 0.9908 0.1622 -0.0455 -0.0203 22 LEU o CG +43487 C CD1 . LEU EA 20 ? 1.0517 1.1233 1.0365 0.1669 -0.0506 -0.0207 22 LEU o CD1 +43488 C CD2 . LEU EA 20 ? 0.9618 1.0290 0.9436 0.1664 -0.0430 -0.0202 22 LEU o CD2 +43489 N N . ASP EA 21 ? 1.1266 1.2443 1.1522 0.1561 -0.0376 -0.0254 23 ASP o N +43490 C CA . ASP EA 21 ? 1.2282 1.3611 1.2670 0.1535 -0.0363 -0.0271 23 ASP o CA +43491 C C . ASP EA 21 ? 1.3632 1.5028 1.4077 0.1525 -0.0406 -0.0280 23 ASP o C +43492 O O . ASP EA 21 ? 1.4117 1.5452 1.4503 0.1551 -0.0448 -0.0275 23 ASP o O +43493 C CB . ASP EA 21 ? 1.3253 1.4678 1.3707 0.1591 -0.0349 -0.0293 23 ASP o CB +43494 C CG . ASP EA 21 ? 1.6542 1.7928 1.6963 0.1592 -0.0300 -0.0288 23 ASP o CG +43495 O OD1 . ASP EA 21 ? 1.8148 1.9510 1.8562 0.1531 -0.0266 -0.0275 23 ASP o OD1 +43496 O OD2 . ASP EA 21 ? 2.0157 2.1534 2.0555 0.1655 -0.0297 -0.0297 23 ASP o OD2 +43497 N N . ASP EA 22 ? 1.5061 1.6584 1.5620 0.1486 -0.0394 -0.0293 24 ASP o N +43498 C CA . ASP EA 22 ? 1.4227 1.5841 1.4861 0.1485 -0.0433 -0.0308 24 ASP o CA +43499 C C . ASP EA 22 ? 1.4950 1.6629 1.5617 0.1563 -0.0466 -0.0329 24 ASP o C +43500 O O . ASP EA 22 ? 1.7718 1.9444 1.8418 0.1577 -0.0509 -0.0340 24 ASP o O +43501 C CB . ASP EA 22 ? 1.7267 1.9008 1.8021 0.1427 -0.0410 -0.0319 24 ASP o CB +43502 C CG . ASP EA 22 ? 1.7165 1.8850 1.7894 0.1348 -0.0388 -0.0299 24 ASP o CG +43503 O OD1 . ASP EA 22 ? 1.5675 1.7229 1.6298 0.1338 -0.0381 -0.0277 24 ASP o OD1 +43504 O OD2 . ASP EA 22 ? 1.8649 2.0422 1.9465 0.1297 -0.0379 -0.0306 24 ASP o OD2 +43505 N N . THR EA 23 ? 1.4705 1.6387 1.5362 0.1615 -0.0446 -0.0336 25 THR o N +43506 C CA . THR EA 23 ? 1.4673 1.6410 1.5355 0.1695 -0.0476 -0.0356 25 THR o CA +43507 C C . THR EA 23 ? 1.6428 1.8046 1.6997 0.1746 -0.0519 -0.0346 25 THR o C +43508 O O . THR EA 23 ? 1.7861 1.9522 1.8449 0.1806 -0.0558 -0.0362 25 THR o O +43509 C CB . THR EA 23 ? 1.3881 1.5655 1.4585 0.1734 -0.0438 -0.0366 25 THR o CB +43510 O OG1 . THR EA 23 ? 1.5597 1.7233 1.6178 0.1777 -0.0435 -0.0352 25 THR o OG1 +43511 C CG2 . THR EA 23 ? 1.3885 1.5702 1.4641 0.1672 -0.0382 -0.0363 25 THR o CG2 +43512 N N . ALA EA 24 ? 1.3906 1.5375 1.4358 0.1723 -0.0514 -0.0321 26 ALA o N +43513 C CA . ALA EA 24 ? 1.3551 1.4895 1.3887 0.1767 -0.0551 -0.0309 26 ALA o CA +43514 C C . ALA EA 24 ? 1.4181 1.5533 1.4523 0.1751 -0.0597 -0.0309 26 ALA o C +43515 O O . ALA EA 24 ? 1.3343 1.4615 1.3630 0.1701 -0.0601 -0.0290 26 ALA o O +43516 C CB . ALA EA 24 ? 0.9790 1.0978 1.0005 0.1744 -0.0526 -0.0283 26 ALA o CB +43517 N N . ARG EA 25 ? 1.3764 1.5218 1.4176 0.1795 -0.0633 -0.0331 27 ARG o N +43518 C CA . ARG EA 25 ? 1.2739 1.4203 1.3154 0.1794 -0.0683 -0.0334 27 ARG o CA +43519 C C . ARG EA 25 ? 1.1178 1.2628 1.1556 0.1880 -0.0729 -0.0344 27 ARG o C +43520 O O . ARG EA 25 ? 1.3165 1.4685 1.3591 0.1898 -0.0772 -0.0359 27 ARG o O +43521 C CB . ARG EA 25 ? 1.2085 1.3702 1.2636 0.1752 -0.0687 -0.0352 27 ARG o CB +43522 C CG . ARG EA 25 ? 1.3226 1.4871 1.3825 0.1670 -0.0641 -0.0345 27 ARG o CG +43523 C CD . ARG EA 25 ? 1.5883 1.7445 1.6426 0.1608 -0.0649 -0.0325 27 ARG o CD +43524 N NE . ARG EA 25 ? 1.8994 2.0649 1.9633 0.1538 -0.0633 -0.0330 27 ARG o NE +43525 C CZ . ARG EA 25 ? 1.9730 2.1455 2.0429 0.1516 -0.0665 -0.0341 27 ARG o CZ +43526 N NH1 . ARG EA 25 ? 1.8234 2.0041 1.9020 0.1452 -0.0647 -0.0347 27 ARG o NH1 +43527 N NH2 . ARG EA 25 ? 1.8896 2.0605 1.9564 0.1561 -0.0717 -0.0347 27 ARG o NH2 +43528 N N . GLY EA 26 ? 1.1617 1.2977 1.1910 0.1933 -0.0721 -0.0337 28 GLY o N +43529 C CA . GLY EA 26 ? 1.0376 1.1714 1.0626 0.2019 -0.0761 -0.0346 28 GLY o CA +43530 C C . GLY EA 26 ? 1.0848 1.2044 1.0972 0.2032 -0.0798 -0.0327 28 GLY o C +43531 O O . GLY EA 26 ? 1.0876 1.2028 1.0974 0.1976 -0.0805 -0.0313 28 GLY o O +43532 N N . ALA EA 27 ? 1.0764 1.1884 1.0806 0.2107 -0.0819 -0.0326 29 ALA o N +43533 C CA . ALA EA 27 ? 1.0368 1.1357 1.0289 0.2130 -0.0857 -0.0311 29 ALA o CA +43534 C C . ALA EA 27 ? 1.1362 1.2220 1.1166 0.2185 -0.0849 -0.0299 29 ALA o C +43535 O O . ALA EA 27 ? 1.3475 1.4374 1.3304 0.2240 -0.0840 -0.0313 29 ALA o O +43536 C CB . ALA EA 27 ? 1.0604 1.1660 1.0559 0.2177 -0.0915 -0.0328 29 ALA o CB +43537 N N . TYR EA 28 ? 1.0564 1.1265 1.0240 0.2170 -0.0851 -0.0274 30 TYR o N +43538 C CA . TYR EA 28 ? 1.0562 1.1126 1.0119 0.2214 -0.0841 -0.0262 30 TYR o CA +43539 C C . TYR EA 28 ? 1.3601 1.4074 1.3061 0.2275 -0.0889 -0.0257 30 TYR o C +43540 O O . TYR EA 28 ? 1.1660 1.2042 1.1046 0.2247 -0.0907 -0.0240 30 TYR o O +43541 C CB . TYR EA 28 ? 1.1531 1.1976 1.1012 0.2151 -0.0802 -0.0237 30 TYR o CB +43542 C CG . TYR EA 28 ? 1.0777 1.1082 1.0140 0.2188 -0.0787 -0.0225 30 TYR o CG +43543 C CD1 . TYR EA 28 ? 0.8959 0.9289 0.8343 0.2216 -0.0755 -0.0234 30 TYR o CD1 +43544 C CD2 . TYR EA 28 ? 1.0071 1.0217 0.9298 0.2193 -0.0802 -0.0204 30 TYR o CD2 +43545 C CE1 . TYR EA 28 ? 0.8630 0.8829 0.7903 0.2249 -0.0741 -0.0223 30 TYR o CE1 +43546 C CE2 . TYR EA 28 ? 0.9057 0.9072 0.8176 0.2225 -0.0788 -0.0193 30 TYR o CE2 +43547 C CZ . TYR EA 28 ? 1.0038 1.0080 0.9179 0.2253 -0.0758 -0.0203 30 TYR o CZ +43548 O OH . TYR EA 28 ? 1.2868 1.2776 1.1898 0.2284 -0.0743 -0.0193 30 TYR o OH +43549 N N . PRO EA 29 ? 1.2756 1.3247 1.2210 0.2359 -0.0912 -0.0272 31 PRO o N +43550 C CA . PRO EA 29 ? 1.0596 1.1018 0.9969 0.2420 -0.0963 -0.0270 31 PRO o CA +43551 C C . PRO EA 29 ? 1.0696 1.0921 0.9907 0.2418 -0.0959 -0.0242 31 PRO o C +43552 O O . PRO EA 29 ? 1.1351 1.1488 1.0502 0.2411 -0.0922 -0.0231 31 PRO o O +43553 C CB . PRO EA 29 ? 1.1985 1.2471 1.1391 0.2510 -0.0977 -0.0292 31 PRO o CB +43554 C CG . PRO EA 29 ? 1.2306 1.2949 1.1854 0.2487 -0.0944 -0.0311 31 PRO o CG +43555 C CD . PRO EA 29 ? 1.1909 1.2501 1.1442 0.2404 -0.0893 -0.0293 31 PRO o CD +43556 N N . ILE EA 30 ? 1.0223 1.0377 0.9365 0.2422 -0.0997 -0.0232 32 ILE o N +43557 C CA . ILE EA 30 ? 1.1638 1.1606 1.0625 0.2420 -0.0998 -0.0206 32 ILE o CA +43558 C C . ILE EA 30 ? 1.3112 1.3011 1.2014 0.2512 -0.1039 -0.0209 32 ILE o C +43559 O O . ILE EA 30 ? 1.3009 1.2980 1.1949 0.2554 -0.1083 -0.0223 32 ILE o O +43560 C CB . ILE EA 30 ? 1.0952 1.0875 0.9910 0.2353 -0.1007 -0.0189 32 ILE o CB +43561 C CG1 . ILE EA 30 ? 1.1189 1.1172 1.0224 0.2263 -0.0966 -0.0186 32 ILE o CG1 +43562 C CG2 . ILE EA 30 ? 1.0335 1.0067 0.9132 0.2354 -0.1009 -0.0163 32 ILE o CG2 +43563 C CD1 . ILE EA 30 ? 1.1744 1.1632 1.0721 0.2231 -0.0916 -0.0170 32 ILE o CD1 +43564 N N . ASP EA 31 ? 1.2971 1.2730 1.1758 0.2543 -0.1024 -0.0196 33 ASP o N +43565 C CA . ASP EA 31 ? 1.1690 1.1361 1.0379 0.2631 -0.1057 -0.0196 33 ASP o CA +43566 C C . ASP EA 31 ? 1.3044 1.2535 1.1583 0.2616 -0.1066 -0.0169 33 ASP o C +43567 O O . ASP EA 31 ? 1.3153 1.2520 1.1606 0.2586 -0.1032 -0.0150 33 ASP o O +43568 C CB . ASP EA 31 ? 1.4224 1.3871 1.2894 0.2681 -0.1031 -0.0202 33 ASP o CB +43569 C CG . ASP EA 31 ? 1.5478 1.5015 1.4035 0.2770 -0.1061 -0.0200 33 ASP o CG +43570 O OD1 . ASP EA 31 ? 1.6534 1.6048 1.5050 0.2807 -0.1107 -0.0199 33 ASP o OD1 +43571 O OD2 . ASP EA 31 ? 1.7716 1.7183 1.6218 0.2804 -0.1038 -0.0199 33 ASP o OD2 +43572 N N . SER EA 32 ? 1.3505 1.2982 1.2011 0.2637 -0.1112 -0.0167 34 SER o N +43573 C CA . SER EA 32 ? 1.3688 1.3003 1.2057 0.2619 -0.1121 -0.0142 34 SER o CA +43574 C C . SER EA 32 ? 1.4626 1.3768 1.2849 0.2663 -0.1113 -0.0126 34 SER o C +43575 O O . SER EA 32 ? 1.4586 1.3581 1.2690 0.2638 -0.1109 -0.0103 34 SER o O +43576 C CB . SER EA 32 ? 1.5539 1.4874 1.3897 0.2649 -0.1176 -0.0145 34 SER o CB +43577 O OG . SER EA 32 ? 1.6591 1.6080 1.5080 0.2607 -0.1186 -0.0160 34 SER o OG +43578 N N . SER EA 33 ? 1.3168 1.2324 1.1397 0.2728 -0.1109 -0.0139 35 SER o N +43579 C CA . SER EA 33 ? 1.4936 1.3928 1.3026 0.2774 -0.1102 -0.0126 35 SER o CA +43580 C C . SER EA 33 ? 1.5792 1.4717 1.3855 0.2726 -0.1047 -0.0116 35 SER o C +43581 O O . SER EA 33 ? 1.6997 1.5771 1.4937 0.2750 -0.1036 -0.0102 35 SER o O +43582 C CB . SER EA 33 ? 1.4825 1.3854 1.2922 0.2876 -0.1128 -0.0145 35 SER o CB +43583 O OG . SER EA 33 ? 1.4961 1.4136 1.3186 0.2881 -0.1107 -0.0167 35 SER o OG +43584 N N . GLN EA 34 ? 1.6538 1.5569 1.4711 0.2661 -0.1014 -0.0121 36 GLN o N +43585 C CA . GLN EA 34 ? 1.7525 1.6515 1.5689 0.2620 -0.0963 -0.0115 36 GLN o CA +43586 C C . GLN EA 34 ? 1.4902 1.3835 1.3042 0.2524 -0.0937 -0.0095 36 GLN o C +43587 O O . GLN EA 34 ? 1.3992 1.2971 1.2170 0.2481 -0.0951 -0.0091 36 GLN o O +43588 C CB . GLN EA 34 ? 1.6128 1.5278 1.4431 0.2620 -0.0941 -0.0138 36 GLN o CB +43589 C CG . GLN EA 34 ? 1.5562 1.4662 1.3835 0.2636 -0.0904 -0.0139 36 GLN o CG +43590 C CD . GLN EA 34 ? 1.8616 1.7827 1.6966 0.2709 -0.0910 -0.0165 36 GLN o CD +43591 O OE1 . GLN EA 34 ? 1.6275 1.5653 1.4761 0.2702 -0.0913 -0.0183 36 GLN o OE1 +43592 N NE2 . GLN EA 34 ? 1.9286 1.8405 1.7549 0.2779 -0.0913 -0.0166 36 GLN o NE2 +43593 N N . THR EA 35 ? 1.2062 1.0895 1.0139 0.2493 -0.0898 -0.0083 37 THR o N +43594 C CA . THR EA 35 ? 1.4053 1.2847 1.2124 0.2401 -0.0866 -0.0067 37 THR o CA +43595 C C . THR EA 35 ? 1.3635 1.2563 1.1834 0.2355 -0.0832 -0.0079 37 THR o C +43596 O O . THR EA 35 ? 1.3102 1.2088 1.1348 0.2390 -0.0817 -0.0094 37 THR o O +43597 C CB . THR EA 35 ? 1.5525 1.4140 1.3461 0.2388 -0.0841 -0.0047 37 THR o CB +43598 O OG1 . THR EA 35 ? 1.5703 1.4205 1.3526 0.2462 -0.0867 -0.0044 37 THR o OG1 +43599 C CG2 . THR EA 35 ? 1.5601 1.4140 1.3489 0.2309 -0.0831 -0.0026 37 THR o CG2 +43600 N N . TYR EA 36 ? 1.4504 1.3479 1.2757 0.2277 -0.0820 -0.0072 38 TYR o N +43601 C CA . TYR EA 36 ? 1.0921 1.0017 0.9291 0.2226 -0.0787 -0.0082 38 TYR o CA +43602 C C . TYR EA 36 ? 1.2430 1.1449 1.0762 0.2145 -0.0751 -0.0064 38 TYR o C +43603 O O . TYR EA 36 ? 1.0969 0.9856 0.9197 0.2123 -0.0753 -0.0045 38 TYR o O +43604 C CB . TYR EA 36 ? 1.0447 0.9701 0.8943 0.2208 -0.0807 -0.0095 38 TYR o CB +43605 C CG . TYR EA 36 ? 1.3034 1.2397 1.1597 0.2282 -0.0836 -0.0117 38 TYR o CG +43606 C CD1 . TYR EA 36 ? 1.1014 1.0505 0.9684 0.2297 -0.0818 -0.0137 38 TYR o CD1 +43607 C CD2 . TYR EA 36 ? 1.2242 1.1579 1.0760 0.2339 -0.0883 -0.0119 38 TYR o CD2 +43608 C CE1 . TYR EA 36 ? 1.3814 1.3409 1.2551 0.2364 -0.0845 -0.0159 38 TYR o CE1 +43609 C CE2 . TYR EA 36 ? 1.2167 1.1606 1.0749 0.2408 -0.0912 -0.0140 38 TYR o CE2 +43610 C CZ . TYR EA 36 ? 1.3001 1.2571 1.1693 0.2421 -0.0893 -0.0161 38 TYR o CZ +43611 O OH . TYR EA 36 ? 1.3002 1.2677 1.1761 0.2490 -0.0922 -0.0183 38 TYR o OH +43612 N N . ARG EA 37 ? 1.2022 1.1127 1.0441 0.2101 -0.0717 -0.0070 39 ARG o N +43613 C CA . ARG EA 37 ? 1.1255 1.0295 0.9645 0.2031 -0.0680 -0.0056 39 ARG o CA +43614 C C . ARG EA 37 ? 1.0670 0.9846 0.9185 0.1976 -0.0656 -0.0064 39 ARG o C +43615 O O . ARG EA 37 ? 1.0588 0.9875 0.9190 0.2002 -0.0649 -0.0082 39 ARG o O +43616 C CB . ARG EA 37 ? 1.1456 1.0391 0.9764 0.2055 -0.0655 -0.0053 39 ARG o CB +43617 C CG . ARG EA 37 ? 1.4334 1.3237 1.2639 0.1989 -0.0613 -0.0045 39 ARG o CG +43618 C CD . ARG EA 37 ? 1.5376 1.4120 1.3555 0.2003 -0.0598 -0.0035 39 ARG o CD +43619 N NE . ARG EA 37 ? 1.6529 1.5144 1.4599 0.2004 -0.0619 -0.0018 39 ARG o NE +43620 C CZ . ARG EA 37 ? 1.5890 1.4414 1.3901 0.1943 -0.0607 -0.0001 39 ARG o CZ +43621 N NH1 . ARG EA 37 ? 1.4655 1.3074 1.2576 0.1945 -0.0627 0.0014 39 ARG o NH1 +43622 N NH2 . ARG EA 37 ? 1.4312 1.2851 1.2356 0.1880 -0.0574 0.0003 39 ARG o NH2 +43623 N N . ILE EA 38 ? 0.9887 0.9057 0.8414 0.1902 -0.0645 -0.0052 40 ILE o N +43624 C CA . ILE EA 38 ? 1.0201 0.9472 0.8827 0.1843 -0.0615 -0.0057 40 ILE o CA +43625 C C . ILE EA 38 ? 1.0142 0.9337 0.8720 0.1824 -0.0577 -0.0051 40 ILE o C +43626 O O . ILE EA 38 ? 0.9022 0.8094 0.7509 0.1793 -0.0567 -0.0034 40 ILE o O +43627 C CB . ILE EA 38 ? 0.9833 0.9128 0.8491 0.1774 -0.0618 -0.0047 40 ILE o CB +43628 C CG1 . ILE EA 38 ? 0.8937 0.8309 0.7642 0.1798 -0.0658 -0.0055 40 ILE o CG1 +43629 C CG2 . ILE EA 38 ? 0.8116 0.7499 0.6864 0.1712 -0.0584 -0.0050 40 ILE o CG2 +43630 C CD1 . ILE EA 38 ? 0.9599 0.9058 0.8385 0.1737 -0.0661 -0.0055 40 ILE o CD1 +43631 N N . ALA EA 39 ? 0.9225 0.8492 0.7860 0.1845 -0.0555 -0.0065 41 ALA o N +43632 C CA . ALA EA 39 ? 1.0178 0.9377 0.8768 0.1833 -0.0520 -0.0061 41 ALA o CA +43633 C C . ALA EA 39 ? 0.9617 0.8842 0.8248 0.1753 -0.0489 -0.0054 41 ALA o C +43634 O O . ALA EA 39 ? 1.0415 0.9543 0.8979 0.1720 -0.0467 -0.0043 41 ALA o O +43635 C CB . ALA EA 39 ? 0.8975 0.8235 0.7604 0.1889 -0.0509 -0.0079 41 ALA o CB +43636 N N . ARG EA 40 ? 0.8782 0.8136 0.7522 0.1720 -0.0488 -0.0061 42 ARG o N +43637 C CA . ARG EA 40 ? 0.9349 0.8733 0.8133 0.1644 -0.0462 -0.0054 42 ARG o CA +43638 C C . ARG EA 40 ? 1.0258 0.9729 0.9116 0.1609 -0.0480 -0.0054 42 ARG o C +43639 O O . ARG EA 40 ? 0.9477 0.9063 0.8420 0.1633 -0.0495 -0.0068 42 ARG o O +43640 C CB . ARG EA 40 ? 0.8995 0.8461 0.7849 0.1637 -0.0428 -0.0065 42 ARG o CB +43641 C CG . ARG EA 40 ? 0.8904 0.8422 0.7818 0.1562 -0.0404 -0.0060 42 ARG o CG +43642 C CD . ARG EA 40 ? 0.9315 0.8912 0.8294 0.1558 -0.0370 -0.0071 42 ARG o CD +43643 N NE . ARG EA 40 ? 0.9045 0.8663 0.8058 0.1487 -0.0343 -0.0064 42 ARG o NE +43644 C CZ . ARG EA 40 ? 0.9822 0.9506 0.8891 0.1471 -0.0310 -0.0071 42 ARG o CZ +43645 N NH1 . ARG EA 40 ? 0.8338 0.8078 0.7440 0.1518 -0.0299 -0.0086 42 ARG o NH1 +43646 N NH2 . ARG EA 40 ? 0.8129 0.7822 0.7220 0.1406 -0.0289 -0.0062 42 ARG o NH2 +43647 N N . LEU EA 41 ? 0.8809 0.8225 0.7636 0.1551 -0.0479 -0.0038 43 LEU o N +43648 C CA . LEU EA 41 ? 0.9475 0.8969 0.8372 0.1505 -0.0489 -0.0037 43 LEU o CA +43649 C C . LEU EA 41 ? 0.9001 0.8509 0.7929 0.1434 -0.0456 -0.0030 43 LEU o C +43650 O O . LEU EA 41 ? 0.8463 0.7870 0.7319 0.1406 -0.0439 -0.0017 43 LEU o O +43651 C CB . LEU EA 41 ? 0.8070 0.7493 0.6906 0.1500 -0.0520 -0.0025 43 LEU o CB +43652 C CG . LEU EA 41 ? 0.8045 0.7543 0.6949 0.1451 -0.0530 -0.0024 43 LEU o CG +43653 C CD1 . LEU EA 41 ? 0.7690 0.7332 0.6703 0.1474 -0.0545 -0.0043 43 LEU o CD1 +43654 C CD2 . LEU EA 41 ? 0.8820 0.8233 0.7651 0.1444 -0.0556 -0.0011 43 LEU o CD2 +43655 N N . CYS EA 42 ? 0.7272 0.6903 0.6306 0.1406 -0.0448 -0.0039 44 CYS o N +43656 C CA . CYS EA 42 ? 0.8140 0.7800 0.7215 0.1341 -0.0418 -0.0034 44 CYS o CA +43657 C C . CYS EA 42 ? 0.8000 0.7735 0.7144 0.1298 -0.0430 -0.0033 44 CYS o C +43658 O O . CYS EA 42 ? 0.7392 0.7225 0.6608 0.1318 -0.0448 -0.0045 44 CYS o O +43659 C CB . CYS EA 42 ? 0.8679 0.8417 0.7817 0.1351 -0.0388 -0.0046 44 CYS o CB +43660 S SG . CYS EA 42 ? 0.8319 0.8090 0.7502 0.1278 -0.0347 -0.0040 44 CYS o SG +43661 N N . LEU EA 43 ? 0.7316 0.7004 0.6436 0.1239 -0.0421 -0.0019 45 LEU o N +43662 C CA . LEU EA 43 ? 0.7086 0.6833 0.6264 0.1192 -0.0430 -0.0017 45 LEU o CA +43663 C C . LEU EA 43 ? 0.8321 0.8091 0.7535 0.1132 -0.0397 -0.0012 45 LEU o C +43664 O O . LEU EA 43 ? 0.7566 0.7250 0.6718 0.1105 -0.0379 0.0000 45 LEU o O +43665 C CB . LEU EA 43 ? 0.7435 0.7100 0.6546 0.1178 -0.0454 -0.0004 45 LEU o CB +43666 C CG . LEU EA 43 ? 0.9330 0.8973 0.8405 0.1236 -0.0489 -0.0008 45 LEU o CG +43667 C CD1 . LEU EA 43 ? 0.9493 0.9000 0.8452 0.1262 -0.0491 0.0002 45 LEU o CD1 +43668 C CD2 . LEU EA 43 ? 0.8623 0.8289 0.7715 0.1217 -0.0517 -0.0006 45 LEU o CD2 +43669 N N . GLN EA 44 ? 0.7781 0.7666 0.7093 0.1110 -0.0390 -0.0021 46 GLN o N +43670 C CA . GLN EA 44 ? 0.7095 0.7016 0.6451 0.1057 -0.0358 -0.0018 46 GLN o CA +43671 C C . GLN EA 44 ? 0.7861 0.7832 0.7269 0.1008 -0.0367 -0.0015 46 GLN o C +43672 O O . GLN EA 44 ? 0.7573 0.7646 0.7062 0.1012 -0.0378 -0.0027 46 GLN o O +43673 C CB . GLN EA 44 ? 0.7766 0.7778 0.7192 0.1074 -0.0336 -0.0031 46 GLN o CB +43674 C CG . GLN EA 44 ? 0.7916 0.7984 0.7401 0.1021 -0.0306 -0.0030 46 GLN o CG +43675 C CD . GLN EA 44 ? 0.8986 0.9166 0.8558 0.1037 -0.0288 -0.0046 46 GLN o CD +43676 O OE1 . GLN EA 44 ? 0.8332 0.8526 0.7902 0.1089 -0.0288 -0.0056 46 GLN o OE1 +43677 N NE2 . GLN EA 44 ? 0.8136 0.8396 0.7784 0.0993 -0.0273 -0.0048 46 GLN o NE2 +43678 N N . PRO EA 45 ? 0.8532 0.8436 0.7897 0.0962 -0.0363 -0.0001 47 PRO o N +43679 C CA . PRO EA 45 ? 0.7147 0.7094 0.6558 0.0916 -0.0371 0.0002 47 PRO o CA +43680 C C . PRO EA 45 ? 0.7888 0.7928 0.7386 0.0880 -0.0347 -0.0004 47 PRO o C +43681 O O . PRO EA 45 ? 0.8668 0.8703 0.8166 0.0869 -0.0317 -0.0002 47 PRO o O +43682 C CB . PRO EA 45 ? 0.7497 0.7339 0.6832 0.0880 -0.0368 0.0019 47 PRO o CB +43683 C CG . PRO EA 45 ? 0.7246 0.7010 0.6517 0.0891 -0.0347 0.0025 47 PRO o CG +43684 C CD . PRO EA 45 ? 0.6766 0.6551 0.6039 0.0952 -0.0351 0.0013 47 PRO o CD +43685 N N . THR EA 46 ? 0.7230 0.7354 0.6800 0.0863 -0.0360 -0.0011 48 THR o N +43686 C CA . THR EA 46 ? 0.7095 0.7303 0.6746 0.0821 -0.0338 -0.0015 48 THR o CA +43687 C C . THR EA 46 ? 0.7462 0.7661 0.7120 0.0766 -0.0341 -0.0006 48 THR o C +43688 O O . THR EA 46 ? 0.8170 0.8412 0.7875 0.0725 -0.0318 -0.0005 48 THR o O +43689 C CB . THR EA 46 ? 0.6948 0.7277 0.6691 0.0842 -0.0346 -0.0033 48 THR o CB +43690 O OG1 . THR EA 46 ? 0.8349 0.8696 0.8101 0.0858 -0.0383 -0.0039 48 THR o OG1 +43691 C CG2 . THR EA 46 ? 0.7947 0.8300 0.7697 0.0893 -0.0336 -0.0043 48 THR o CG2 +43692 N N . THR EA 47 ? 0.7887 0.8032 0.7499 0.0765 -0.0367 0.0000 49 THR o N +43693 C CA . THR EA 47 ? 0.7672 0.7815 0.7295 0.0716 -0.0372 0.0007 49 THR o CA +43694 C C . THR EA 47 ? 0.8574 0.8610 0.8109 0.0713 -0.0387 0.0020 49 THR o C +43695 O O . THR EA 47 ? 0.7904 0.7894 0.7388 0.0755 -0.0408 0.0020 49 THR o O +43696 C CB . THR EA 47 ? 0.8543 0.8779 0.8240 0.0715 -0.0395 -0.0006 49 THR o CB +43697 O OG1 . THR EA 47 ? 0.9201 0.9537 0.8981 0.0722 -0.0381 -0.0020 49 THR o OG1 +43698 C CG2 . THR EA 47 ? 0.7306 0.7546 0.7021 0.0663 -0.0398 0.0000 49 THR o CG2 +43699 N N . PHE EA 48 ? 0.7104 0.7100 0.6620 0.0665 -0.0376 0.0032 50 PHE o N +43700 C CA . PHE EA 48 ? 0.7271 0.7175 0.6713 0.0654 -0.0388 0.0044 50 PHE o CA +43701 C C . PHE EA 48 ? 0.7987 0.7917 0.7460 0.0613 -0.0397 0.0046 50 PHE o C +43702 O O . PHE EA 48 ? 0.7737 0.7700 0.7251 0.0571 -0.0378 0.0048 50 PHE o O +43703 C CB . PHE EA 48 ? 0.8384 0.8203 0.7764 0.0637 -0.0365 0.0057 50 PHE o CB +43704 C CG . PHE EA 48 ? 0.8390 0.8169 0.7727 0.0678 -0.0357 0.0056 50 PHE o CG +43705 C CD1 . PHE EA 48 ? 0.7468 0.7297 0.6845 0.0689 -0.0336 0.0048 50 PHE o CD1 +43706 C CD2 . PHE EA 48 ? 0.7303 0.6993 0.6559 0.0706 -0.0370 0.0061 50 PHE o CD2 +43707 C CE1 . PHE EA 48 ? 0.8548 0.8339 0.7885 0.0727 -0.0329 0.0047 50 PHE o CE1 +43708 C CE2 . PHE EA 48 ? 0.8569 0.8219 0.7784 0.0743 -0.0363 0.0060 50 PHE o CE2 +43709 C CZ . PHE EA 48 ? 0.7886 0.7586 0.7140 0.0755 -0.0343 0.0052 50 PHE o CZ +43710 N N . LEU EA 49 ? 0.7811 0.7726 0.7263 0.0625 -0.0426 0.0045 51 LEU o N +43711 C CA . LEU EA 49 ? 0.8370 0.8305 0.7846 0.0590 -0.0438 0.0046 51 LEU o CA +43712 C C . LEU EA 49 ? 0.8104 0.7940 0.7499 0.0579 -0.0445 0.0059 51 LEU o C +43713 O O . LEU EA 49 ? 0.8040 0.7814 0.7371 0.0613 -0.0458 0.0062 51 LEU o O +43714 C CB . LEU EA 49 ? 0.7591 0.7600 0.7117 0.0611 -0.0467 0.0032 51 LEU o CB +43715 C CG . LEU EA 49 ? 1.0088 1.0202 0.9701 0.0621 -0.0459 0.0017 51 LEU o CG +43716 C CD1 . LEU EA 49 ? 1.0064 1.0238 0.9710 0.0662 -0.0489 0.0002 51 LEU o CD1 +43717 C CD2 . LEU EA 49 ? 0.8879 0.9053 0.8558 0.0571 -0.0442 0.0015 51 LEU o CD2 +43718 N N . VAL EA 50 ? 0.7556 0.7376 0.6951 0.0533 -0.0436 0.0067 52 VAL o N +43719 C CA . VAL EA 50 ? 0.8022 0.7753 0.7347 0.0517 -0.0439 0.0079 52 VAL o CA +43720 C C . VAL EA 50 ? 0.8200 0.7954 0.7543 0.0497 -0.0459 0.0077 52 VAL o C +43721 O O . VAL EA 50 ? 0.7744 0.7564 0.7151 0.0468 -0.0455 0.0071 52 VAL o O +43722 C CB . VAL EA 50 ? 0.7624 0.7309 0.6926 0.0480 -0.0411 0.0090 52 VAL o CB +43723 C CG1 . VAL EA 50 ? 0.7931 0.7539 0.7174 0.0458 -0.0414 0.0101 52 VAL o CG1 +43724 C CG2 . VAL EA 50 ? 0.8277 0.7927 0.7549 0.0502 -0.0394 0.0093 52 VAL o CG2 +43725 N N . LYS EA 51 ? 0.8737 0.8434 0.8022 0.0514 -0.0479 0.0080 53 LYS o N +43726 C CA . LYS EA 51 ? 0.9325 0.9034 0.8617 0.0497 -0.0498 0.0078 53 LYS o CA +43727 C C . LYS EA 51 ? 0.9980 0.9650 0.9256 0.0448 -0.0481 0.0089 53 LYS o C +43728 O O . LYS EA 51 ? 0.9750 0.9343 0.8967 0.0441 -0.0467 0.0101 53 LYS o O +43729 C CB . LYS EA 51 ? 0.9555 0.9213 0.8785 0.0532 -0.0526 0.0079 53 LYS o CB +43730 C CG . LYS EA 51 ? 1.1692 1.1360 1.0925 0.0516 -0.0547 0.0077 53 LYS o CG +43731 C CD . LYS EA 51 ? 1.1285 1.0893 1.0448 0.0549 -0.0572 0.0079 53 LYS o CD +43732 C CE . LYS EA 51 ? 1.3116 1.2775 1.2303 0.0596 -0.0600 0.0066 53 LYS o CE +43733 N NZ . LYS EA 51 ? 1.5939 1.5537 1.5053 0.0628 -0.0628 0.0069 53 LYS o NZ +43734 N N . GLU EA 52 ? 1.1521 1.1243 1.0849 0.0416 -0.0483 0.0084 54 GLU o N +43735 C CA . GLU EA 52 ? 1.4484 1.4174 1.3801 0.0372 -0.0468 0.0093 54 GLU o CA +43736 C C . GLU EA 52 ? 1.5681 1.5330 1.4956 0.0368 -0.0487 0.0096 54 GLU o C +43737 O O . GLU EA 52 ? 1.6263 1.5939 1.5546 0.0389 -0.0513 0.0087 54 GLU o O +43738 C CB . GLU EA 52 ? 1.2308 1.2071 1.1701 0.0337 -0.0456 0.0088 54 GLU o CB +43739 C CG . GLU EA 52 ? 1.5144 1.4987 1.4599 0.0339 -0.0476 0.0074 54 GLU o CG +43740 C CD . GLU EA 52 ? 1.8311 1.8215 1.7834 0.0300 -0.0461 0.0070 54 GLU o CD +43741 O OE1 . GLU EA 52 ? 1.8307 1.8196 1.7832 0.0276 -0.0435 0.0078 54 GLU o OE1 +43742 O OE2 . GLU EA 52 ? 1.5473 1.5437 1.5046 0.0292 -0.0476 0.0059 54 GLU o OE2 +43743 N N . GLU EA 53 ? 1.5120 1.4703 1.4348 0.0342 -0.0474 0.0107 55 GLU o N +43744 C CA . GLU EA 53 ? 1.9214 1.8748 1.8394 0.0338 -0.0488 0.0111 55 GLU o CA +43745 C C . GLU EA 53 ? 1.8773 1.8347 1.7994 0.0303 -0.0491 0.0107 55 GLU o C +43746 O O . GLU EA 53 ? 1.9397 1.8983 1.8647 0.0269 -0.0471 0.0110 55 GLU o O +43747 C CB . GLU EA 53 ? 1.9600 1.9044 1.8709 0.0328 -0.0473 0.0125 55 GLU o CB +43748 C CG . GLU EA 53 ? 2.0962 2.0349 2.0013 0.0362 -0.0473 0.0130 55 GLU o CG +43749 C CD . GLU EA 53 ? 1.9341 1.8726 1.8403 0.0359 -0.0449 0.0133 55 GLU o CD +43750 O OE1 . GLU EA 53 ? 1.8776 1.8200 1.7887 0.0329 -0.0433 0.0132 55 GLU o OE1 +43751 O OE2 . GLU EA 53 ? 1.5486 1.4825 1.4503 0.0386 -0.0448 0.0136 55 GLU o OE2 +43752 N N . PRO EA 54 ? 2.2714 2.2306 2.1938 0.0312 -0.0516 0.0100 56 PRO o N +43753 C CA . PRO EA 54 ? 2.2728 2.2347 2.1983 0.0279 -0.0519 0.0096 56 PRO o CA +43754 C C . PRO EA 54 ? 2.2446 2.1994 2.1645 0.0256 -0.0511 0.0106 56 PRO o C +43755 O O . PRO EA 54 ? 2.2159 2.1637 2.1289 0.0272 -0.0513 0.0114 56 PRO o O +43756 C CB . PRO EA 54 ? 1.9634 1.9293 1.8904 0.0301 -0.0552 0.0083 56 PRO o CB +43757 C CG . PRO EA 54 ? 2.1221 2.0885 2.0479 0.0347 -0.0565 0.0080 56 PRO o CG +43758 C CD . PRO EA 54 ? 2.3158 2.2751 2.2360 0.0354 -0.0544 0.0093 56 PRO o CD +43759 N N . LYS EA 55 ? 2.1709 2.1275 2.0939 0.0218 -0.0499 0.0106 57 LYS o N +43760 C CA . LYS EA 55 ? 2.0391 1.9898 1.9576 0.0194 -0.0490 0.0115 57 LYS o CA +43761 C C . LYS EA 55 ? 2.0813 2.0291 1.9954 0.0209 -0.0514 0.0112 57 LYS o C +43762 O O . LYS EA 55 ? 2.1422 2.0829 2.0496 0.0213 -0.0511 0.0121 57 LYS o O +43763 C CB . LYS EA 55 ? 1.7779 1.7319 1.7011 0.0154 -0.0477 0.0113 57 LYS o CB +43764 C CG . LYS EA 55 ? 1.3255 1.2780 1.2494 0.0131 -0.0448 0.0122 57 LYS o CG +43765 C CD . LYS EA 55 ? 1.3916 1.3494 1.3216 0.0099 -0.0438 0.0118 57 LYS o CD +43766 C CE . LYS EA 55 ? 1.4871 1.4417 1.4163 0.0066 -0.0416 0.0127 57 LYS o CE +43767 N NZ . LYS EA 55 ? 0.7486 0.7076 0.6830 0.0036 -0.0410 0.0122 57 LYS o NZ +43768 N N . ASN EA 56 ? 2.1125 2.0657 2.0302 0.0216 -0.0538 0.0100 58 ASN o N +43769 C CA . ASN EA 56 ? 2.0356 1.9866 1.9497 0.0225 -0.0561 0.0096 58 ASN o CA +43770 C C . ASN EA 56 ? 2.1790 2.1266 2.0878 0.0268 -0.0582 0.0096 58 ASN o C +43771 O O . ASN EA 56 ? 2.1540 2.0985 2.0584 0.0278 -0.0600 0.0095 58 ASN o O +43772 C CB . ASN EA 56 ? 1.7628 1.7210 1.6830 0.0214 -0.0579 0.0081 58 ASN o CB +43773 C CG . ASN EA 56 ? 1.8103 1.7734 1.7371 0.0178 -0.0559 0.0079 58 ASN o CG +43774 O OD1 . ASN EA 56 ? 1.6962 1.6576 1.6229 0.0146 -0.0547 0.0082 58 ASN o OD1 +43775 N ND2 . ASN EA 56 ? 2.2299 2.1986 2.1622 0.0183 -0.0554 0.0074 58 ASN o ND2 +43776 N N . LYS EA 57 ? 2.2034 2.1513 2.1122 0.0294 -0.0580 0.0098 59 LYS o N +43777 C CA . LYS EA 57 ? 2.1983 2.1427 2.1018 0.0338 -0.0598 0.0099 59 LYS o CA +43778 C C . LYS EA 57 ? 2.1722 2.1211 2.0775 0.0364 -0.0634 0.0085 59 LYS o C +43779 O O . LYS EA 57 ? 2.1870 2.1364 2.0910 0.0404 -0.0652 0.0081 59 LYS o O +43780 C CB . LYS EA 57 ? 2.1720 2.1065 2.0664 0.0340 -0.0591 0.0112 59 LYS o CB +43781 C CG . LYS EA 57 ? 1.9634 1.8922 1.8539 0.0342 -0.0566 0.0125 59 LYS o CG +43782 C CD . LYS EA 57 ? 1.8302 1.7611 1.7251 0.0305 -0.0537 0.0128 59 LYS o CD +43783 C CE . LYS EA 57 ? 1.8142 1.7384 1.7044 0.0302 -0.0513 0.0141 59 LYS o CE +43784 N NZ . LYS EA 57 ? 1.9730 1.8889 1.8556 0.0296 -0.0508 0.0151 59 LYS o NZ +43785 N N . ARG EA 58 ? 2.1222 2.0744 2.0303 0.0343 -0.0645 0.0076 60 ARG o N +43786 C CA . ARG EA 58 ? 2.2951 2.2526 2.2058 0.0362 -0.0680 0.0061 60 ARG o CA +43787 C C . ARG EA 58 ? 2.2270 2.1945 2.1473 0.0356 -0.0683 0.0047 60 ARG o C +43788 O O . ARG EA 58 ? 2.1120 2.0853 2.0362 0.0365 -0.0710 0.0032 60 ARG o O +43789 C CB . ARG EA 58 ? 2.2345 2.1901 2.1429 0.0344 -0.0693 0.0058 60 ARG o CB +43790 C CG . ARG EA 58 ? 2.2120 2.1577 2.1109 0.0346 -0.0686 0.0072 60 ARG o CG +43791 C CD . ARG EA 58 ? 2.0139 1.9574 1.9086 0.0358 -0.0714 0.0065 60 ARG o CD +43792 N NE . ARG EA 58 ? 2.1199 2.0701 2.0207 0.0336 -0.0729 0.0050 60 ARG o NE +43793 C CZ . ARG EA 58 ? 1.8451 1.7945 1.7435 0.0338 -0.0753 0.0042 60 ARG o CZ +43794 N NH1 . ARG EA 58 ? 1.6379 1.5800 1.5277 0.0360 -0.0764 0.0049 60 ARG o NH1 +43795 N NH2 . ARG EA 58 ? 1.4655 1.4214 1.3701 0.0317 -0.0765 0.0028 60 ARG o NH2 +43796 N N . GLN EA 59 ? 2.2085 2.1783 2.1329 0.0339 -0.0656 0.0051 61 GLN o N +43797 C CA . GLN EA 59 ? 2.2875 2.2662 2.2204 0.0338 -0.0655 0.0040 61 GLN o CA +43798 C C . GLN EA 59 ? 2.4136 2.3927 2.3460 0.0376 -0.0654 0.0041 61 GLN o C +43799 O O . GLN EA 59 ? 2.3338 2.3063 2.2608 0.0385 -0.0637 0.0055 61 GLN o O +43800 C CB . GLN EA 59 ? 2.1795 2.1606 2.1172 0.0294 -0.0624 0.0044 61 GLN o CB +43801 C CG . GLN EA 59 ? 2.0252 2.0028 1.9610 0.0257 -0.0615 0.0049 61 GLN o CG +43802 C CD . GLN EA 59 ? 2.0116 1.9942 1.9513 0.0242 -0.0637 0.0034 61 GLN o CD +43803 O OE1 . GLN EA 59 ? 2.1614 2.1512 2.1068 0.0252 -0.0654 0.0020 61 GLN o OE1 +43804 N NE2 . GLN EA 59 ? 1.9157 1.8944 1.8525 0.0216 -0.0635 0.0038 61 GLN o NE2 +43805 N N . GLU EA 60 ? 2.1612 2.1479 2.0994 0.0398 -0.0671 0.0027 62 GLU o N +43806 C CA . GLU EA 60 ? 2.0996 2.0873 2.0377 0.0438 -0.0673 0.0026 62 GLU o CA +43807 C C . GLU EA 60 ? 1.9671 1.9549 1.9072 0.0423 -0.0637 0.0034 62 GLU o C +43808 O O . GLU EA 60 ? 1.9625 1.9545 1.9081 0.0386 -0.0618 0.0033 62 GLU o O +43809 C CB . GLU EA 60 ? 2.1601 2.1570 2.1049 0.0462 -0.0699 0.0007 62 GLU o CB +43810 C CG . GLU EA 60 ? 2.1727 2.1700 2.1160 0.0514 -0.0711 0.0004 62 GLU o CG +43811 C CD . GLU EA 60 ? 2.2917 2.2989 2.2423 0.0537 -0.0738 -0.0017 62 GLU o CD +43812 O OE1 . GLU EA 60 ? 1.9750 1.9900 1.9336 0.0507 -0.0734 -0.0028 62 GLU o OE1 +43813 O OE2 . GLU EA 60 ? 2.4666 2.4737 2.4150 0.0585 -0.0763 -0.0023 62 GLU o OE2 +43814 N N . ALA EA 61 ? 1.7896 1.7723 1.7249 0.0451 -0.0629 0.0043 63 ALA o N +43815 C CA . ALA EA 61 ? 1.5199 1.5018 1.4561 0.0440 -0.0597 0.0051 63 ALA o CA +43816 C C . ALA EA 61 ? 1.3159 1.3061 1.2592 0.0458 -0.0595 0.0039 63 ALA o C +43817 O O . ALA EA 61 ? 1.5333 1.5280 1.4788 0.0492 -0.0620 0.0027 63 ALA o O +43818 C CB . ALA EA 61 ? 1.4000 1.3725 1.3278 0.0461 -0.0588 0.0065 63 ALA o CB +43819 N N . GLU EA 62 ? 1.3237 1.3160 1.2705 0.0435 -0.0565 0.0043 64 GLU o N +43820 C CA . GLU EA 62 ? 1.1326 1.1326 1.0862 0.0446 -0.0557 0.0033 64 GLU o CA +43821 C C . GLU EA 62 ? 1.0190 1.0151 0.9695 0.0463 -0.0535 0.0042 64 GLU o C +43822 O O . GLU EA 62 ? 0.9745 0.9632 0.9196 0.0448 -0.0517 0.0056 64 GLU o O +43823 C CB . GLU EA 62 ? 1.3058 1.3123 1.2668 0.0402 -0.0539 0.0029 64 GLU o CB +43824 C CG . GLU EA 62 ? 1.6763 1.6888 1.6423 0.0385 -0.0560 0.0016 64 GLU o CG +43825 C CD . GLU EA 62 ? 1.9087 1.9262 1.8810 0.0339 -0.0539 0.0014 64 GLU o CD +43826 O OE1 . GLU EA 62 ? 1.9320 1.9462 1.9030 0.0314 -0.0510 0.0025 64 GLU o OE1 +43827 O OE2 . GLU EA 62 ? 2.2054 2.2300 2.1838 0.0327 -0.0552 0.0000 64 GLU o OE2 +43828 N N . PHE EA 63 ? 0.8941 0.8954 0.8482 0.0495 -0.0536 0.0032 65 PHE o N +43829 C CA . PHE EA 63 ? 0.9247 0.9244 0.8778 0.0509 -0.0513 0.0037 65 PHE o CA +43830 C C . PHE EA 63 ? 0.9778 0.9838 0.9379 0.0476 -0.0485 0.0034 65 PHE o C +43831 O O . PHE EA 63 ? 1.0988 1.1134 1.0662 0.0468 -0.0491 0.0022 65 PHE o O +43832 C CB . PHE EA 63 ? 0.8327 0.8346 0.7858 0.0563 -0.0528 0.0028 65 PHE o CB +43833 C CG . PHE EA 63 ? 0.9532 0.9463 0.8975 0.0599 -0.0545 0.0035 65 PHE o CG +43834 C CD1 . PHE EA 63 ? 0.9446 0.9296 0.8824 0.0607 -0.0527 0.0048 65 PHE o CD1 +43835 C CD2 . PHE EA 63 ? 1.1130 1.1060 1.0554 0.0626 -0.0579 0.0030 65 PHE o CD2 +43836 C CE1 . PHE EA 63 ? 0.9002 0.8768 0.8296 0.0638 -0.0540 0.0055 65 PHE o CE1 +43837 C CE2 . PHE EA 63 ? 1.0244 1.0090 0.9583 0.0659 -0.0593 0.0037 65 PHE o CE2 +43838 C CZ . PHE EA 63 ? 1.1879 1.1642 1.1153 0.0664 -0.0573 0.0050 65 PHE o CZ +43839 N N . VAL EA 64 ? 0.9210 0.9226 0.8786 0.0456 -0.0457 0.0045 66 VAL o N +43840 C CA . VAL EA 64 ? 0.8952 0.9018 0.8585 0.0422 -0.0430 0.0045 66 VAL o CA +43841 C C . VAL EA 64 ? 0.8084 0.8155 0.7719 0.0443 -0.0408 0.0045 66 VAL o C +43842 O O . VAL EA 64 ? 0.8096 0.8105 0.7671 0.0473 -0.0410 0.0050 66 VAL o O +43843 C CB . VAL EA 64 ? 0.7920 0.7940 0.7531 0.0376 -0.0413 0.0057 66 VAL o CB +43844 C CG1 . VAL EA 64 ? 0.9909 0.9923 0.9517 0.0356 -0.0434 0.0056 66 VAL o CG1 +43845 C CG2 . VAL EA 64 ? 0.9368 0.9295 0.8902 0.0380 -0.0401 0.0070 66 VAL o CG2 +43846 N N . PRO EA 65 ? 0.8735 0.8873 0.8433 0.0428 -0.0388 0.0039 67 PRO o N +43847 C CA . PRO EA 65 ? 0.8645 0.8785 0.8343 0.0447 -0.0365 0.0039 67 PRO o CA +43848 C C . PRO EA 65 ? 0.6924 0.6985 0.6564 0.0427 -0.0343 0.0054 67 PRO o C +43849 O O . PRO EA 65 ? 0.7462 0.7491 0.7088 0.0389 -0.0337 0.0063 67 PRO o O +43850 C CB . PRO EA 65 ? 0.9843 1.0077 0.9626 0.0429 -0.0349 0.0030 67 PRO o CB +43851 C CG . PRO EA 65 ? 0.9960 1.0208 0.9769 0.0382 -0.0351 0.0032 67 PRO o CG +43852 C CD . PRO EA 65 ? 0.9450 0.9661 0.9221 0.0392 -0.0383 0.0032 67 PRO o CD +43853 N N . THR EA 66 ? 0.7489 0.7517 0.7095 0.0454 -0.0331 0.0056 68 THR o N +43854 C CA . THR EA 66 ? 0.7275 0.7231 0.6829 0.0438 -0.0310 0.0068 68 THR o CA +43855 C C . THR EA 66 ? 0.6954 0.6938 0.6529 0.0446 -0.0284 0.0066 68 THR o C +43856 O O . THR EA 66 ? 0.9065 0.9117 0.8689 0.0469 -0.0283 0.0054 68 THR o O +43857 C CB . THR EA 66 ? 0.7182 0.7046 0.6651 0.0462 -0.0321 0.0076 68 THR o CB +43858 O OG1 . THR EA 66 ? 0.7685 0.7556 0.7146 0.0511 -0.0329 0.0068 68 THR o OG1 +43859 C CG2 . THR EA 66 ? 0.6464 0.6296 0.5907 0.0454 -0.0345 0.0079 68 THR o CG2 +43860 N N . LYS EA 67 ? 0.7422 0.7351 0.6957 0.0428 -0.0263 0.0075 69 LYS o N +43861 C CA . LYS EA 67 ? 0.7099 0.7040 0.6641 0.0435 -0.0237 0.0074 69 LYS o CA +43862 C C . LYS EA 67 ? 0.6181 0.6041 0.5650 0.0461 -0.0235 0.0079 69 LYS o C +43863 O O . LYS EA 67 ? 0.6585 0.6369 0.5996 0.0449 -0.0240 0.0088 69 LYS o O +43864 C CB . LYS EA 67 ? 0.7557 0.7505 0.7119 0.0390 -0.0214 0.0080 69 LYS o CB +43865 C CG . LYS EA 67 ? 1.0736 1.0743 1.0343 0.0390 -0.0189 0.0075 69 LYS o CG +43866 C CD . LYS EA 67 ? 1.1341 1.1416 1.1015 0.0354 -0.0181 0.0073 69 LYS o CD +43867 C CE . LYS EA 67 ? 0.9603 0.9636 0.9256 0.0311 -0.0177 0.0084 69 LYS o CE +43868 N NZ . LYS EA 67 ? 1.2978 1.3056 1.2677 0.0278 -0.0154 0.0085 69 LYS o NZ +43869 N N . LEU EA 68 ? 0.6746 0.6623 0.6217 0.0497 -0.0227 0.0071 70 LEU o N +43870 C CA . LEU EA 68 ? 0.7130 0.6933 0.6533 0.0524 -0.0223 0.0075 70 LEU o CA +43871 C C . LEU EA 68 ? 0.7694 0.7461 0.7073 0.0498 -0.0197 0.0081 70 LEU o C +43872 O O . LEU EA 68 ? 0.7343 0.7161 0.6765 0.0485 -0.0176 0.0079 70 LEU o O +43873 C CB . LEU EA 68 ? 0.7357 0.7194 0.6773 0.0573 -0.0223 0.0064 70 LEU o CB +43874 C CG . LEU EA 68 ? 0.7486 0.7252 0.6835 0.0607 -0.0218 0.0064 70 LEU o CG +43875 C CD1 . LEU EA 68 ? 0.6501 0.6176 0.5775 0.0614 -0.0237 0.0072 70 LEU o CD1 +43876 C CD2 . LEU EA 68 ? 0.8342 0.8156 0.7716 0.0657 -0.0220 0.0052 70 LEU o CD2 +43877 N N . VAL EA 69 ? 0.6468 0.6146 0.5777 0.0490 -0.0197 0.0090 71 VAL o N +43878 C CA . VAL EA 69 ? 0.6806 0.6446 0.6089 0.0467 -0.0176 0.0096 71 VAL o CA +43879 C C . VAL EA 69 ? 0.7451 0.7021 0.6668 0.0495 -0.0170 0.0096 71 VAL o C +43880 O O . VAL EA 69 ? 0.6742 0.6276 0.5931 0.0480 -0.0153 0.0099 71 VAL o O +43881 C CB . VAL EA 69 ? 0.6536 0.6136 0.5800 0.0423 -0.0177 0.0106 71 VAL o CB +43882 C CG1 . VAL EA 69 ? 0.6225 0.5894 0.5554 0.0392 -0.0178 0.0106 71 VAL o CG1 +43883 C CG2 . VAL EA 69 ? 0.5846 0.5374 0.5053 0.0428 -0.0197 0.0111 71 VAL o CG2 +43884 N N . THR EA 70 ? 0.7098 0.6648 0.6289 0.0536 -0.0184 0.0091 72 THR o N +43885 C CA . THR EA 70 ? 0.7007 0.6487 0.6133 0.0564 -0.0180 0.0090 72 THR o CA +43886 C C . THR EA 70 ? 0.6706 0.6225 0.5850 0.0604 -0.0169 0.0080 72 THR o C +43887 O O . THR EA 70 ? 0.6742 0.6206 0.5834 0.0636 -0.0169 0.0078 72 THR o O +43888 C CB . THR EA 70 ? 0.7449 0.6857 0.6516 0.0581 -0.0202 0.0094 72 THR o CB +43889 O OG1 . THR EA 70 ? 0.6852 0.6307 0.5954 0.0600 -0.0223 0.0090 72 THR o OG1 +43890 C CG2 . THR EA 70 ? 0.6139 0.5489 0.5172 0.0539 -0.0205 0.0104 72 THR o CG2 +43891 N N A ARG EA 71 ? 0.6357 0.5968 0.5575 0.0603 -0.0160 0.0074 73 ARG o N +43892 N N B ARG EA 71 ? 0.6355 0.5966 0.5573 0.0603 -0.0160 0.0074 73 ARG o N +43893 C CA A ARG EA 71 ? 0.6862 0.6520 0.6106 0.0634 -0.0143 0.0064 73 ARG o CA +43894 C CA B ARG EA 71 ? 0.6864 0.6523 0.6109 0.0634 -0.0143 0.0064 73 ARG o CA +43895 C C A ARG EA 71 ? 0.7223 0.6888 0.6460 0.0688 -0.0158 0.0055 73 ARG o C +43896 C C B ARG EA 71 ? 0.7229 0.6893 0.6466 0.0688 -0.0158 0.0055 73 ARG o C +43897 O O A ARG EA 71 ? 0.6646 0.6303 0.5878 0.0698 -0.0183 0.0056 73 ARG o O +43898 O O B ARG EA 71 ? 0.6646 0.6302 0.5877 0.0700 -0.0183 0.0056 73 ARG o O +43899 C CB A ARG EA 71 ? 0.6137 0.5743 0.5335 0.0629 -0.0120 0.0066 73 ARG o CB +43900 C CB B ARG EA 71 ? 0.6112 0.5718 0.5310 0.0630 -0.0120 0.0066 73 ARG o CB +43901 C CG A ARG EA 71 ? 0.7237 0.6840 0.6443 0.0577 -0.0106 0.0074 73 ARG o CG +43902 C CG B ARG EA 71 ? 0.7261 0.6860 0.6464 0.0578 -0.0107 0.0075 73 ARG o CG +43903 C CD A ARG EA 71 ? 0.6681 0.6232 0.5840 0.0571 -0.0086 0.0076 73 ARG o CD +43904 C CD B ARG EA 71 ? 0.6686 0.6235 0.5844 0.0573 -0.0086 0.0076 73 ARG o CD +43905 N NE A ARG EA 71 ? 0.6854 0.6458 0.6046 0.0586 -0.0062 0.0069 73 ARG o NE +43906 N NE B ARG EA 71 ? 0.6858 0.6462 0.6049 0.0588 -0.0062 0.0069 73 ARG o NE +43907 C CZ A ARG EA 71 ? 0.7381 0.6950 0.6536 0.0589 -0.0042 0.0068 73 ARG o CZ +43908 C CZ B ARG EA 71 ? 0.7404 0.6972 0.6558 0.0592 -0.0043 0.0068 73 ARG o CZ +43909 N NH1 A ARG EA 71 ? 0.6707 0.6188 0.5793 0.0578 -0.0045 0.0074 73 ARG o NH1 +43910 N NH1 B ARG EA 71 ? 0.6708 0.6190 0.5794 0.0580 -0.0045 0.0073 73 ARG o NH1 +43911 N NH2 A ARG EA 71 ? 0.7251 0.6871 0.6437 0.0603 -0.0020 0.0062 73 ARG o NH2 +43912 N NH2 B ARG EA 71 ? 0.7261 0.6882 0.6447 0.0607 -0.0020 0.0061 73 ARG o NH2 +43913 N N . GLU EA 72 ? 0.7646 0.7325 0.6883 0.0723 -0.0144 0.0047 74 GLU o N +43914 C CA . GLU EA 72 ? 0.7656 0.7358 0.6899 0.0777 -0.0157 0.0036 74 GLU o CA +43915 C C . GLU EA 72 ? 0.7393 0.6994 0.6549 0.0809 -0.0172 0.0039 74 GLU o C +43916 O O . GLU EA 72 ? 0.7166 0.6743 0.6290 0.0849 -0.0166 0.0033 74 GLU o O +43917 C CB . GLU EA 72 ? 0.7569 0.7334 0.6852 0.0802 -0.0134 0.0025 74 GLU o CB +43918 C CG . GLU EA 72 ? 0.7618 0.7493 0.6995 0.0777 -0.0122 0.0021 74 GLU o CG +43919 C CD . GLU EA 72 ? 0.8655 0.8595 0.8088 0.0783 -0.0147 0.0016 74 GLU o CD +43920 O OE1 . GLU EA 72 ? 1.1450 1.1398 1.0880 0.0830 -0.0165 0.0008 74 GLU o OE1 +43921 O OE2 . GLU EA 72 ? 1.2573 1.2554 1.2051 0.0743 -0.0150 0.0019 74 GLU o OE2 +43922 N N . THR EA 73 ? 0.7245 0.6789 0.6362 0.0792 -0.0191 0.0048 75 THR o N +43923 C CA . THR EA 73 ? 0.7081 0.6519 0.6110 0.0811 -0.0204 0.0053 75 THR o CA +43924 C C . THR EA 73 ? 0.7518 0.6946 0.6536 0.0831 -0.0234 0.0054 75 THR o C +43925 O O . THR EA 73 ? 0.6844 0.6183 0.5792 0.0830 -0.0246 0.0062 75 THR o O +43926 C CB . THR EA 73 ? 0.8416 0.7776 0.7394 0.0767 -0.0195 0.0064 75 THR o CB +43927 O OG1 . THR EA 73 ? 0.7240 0.6624 0.6249 0.0723 -0.0203 0.0072 75 THR o OG1 +43928 C CG2 . THR EA 73 ? 0.6972 0.6335 0.5952 0.0750 -0.0167 0.0063 75 THR o CG2 +43929 N N . THR EA 74 ? 0.6934 0.6450 0.6018 0.0850 -0.0246 0.0046 76 THR o N +43930 C CA . THR EA 74 ? 0.6534 0.6057 0.5623 0.0855 -0.0275 0.0048 76 THR o CA +43931 C C . THR EA 74 ? 0.7767 0.7289 0.6841 0.0915 -0.0296 0.0040 76 THR o C +43932 O O . THR EA 74 ? 0.8140 0.7643 0.7195 0.0923 -0.0322 0.0043 76 THR o O +43933 C CB . THR EA 74 ? 0.7616 0.7241 0.6795 0.0825 -0.0277 0.0044 76 THR o CB +43934 O OG1 . THR EA 74 ? 0.7173 0.6893 0.6423 0.0846 -0.0267 0.0032 76 THR o OG1 +43935 C CG2 . THR EA 74 ? 0.6747 0.6364 0.5935 0.0764 -0.0260 0.0054 76 THR o CG2 +43936 N N . SER EA 75 ? 0.8319 0.7861 0.7398 0.0957 -0.0288 0.0030 77 SER o N +43937 C CA . SER EA 75 ? 0.7172 0.6737 0.6254 0.1015 -0.0310 0.0021 77 SER o CA +43938 C C . SER EA 75 ? 0.7124 0.6576 0.6107 0.1051 -0.0323 0.0026 77 SER o C +43939 O O . SER EA 75 ? 0.7217 0.6582 0.6133 0.1045 -0.0308 0.0032 77 SER o O +43940 C CB . SER EA 75 ? 0.7145 0.6793 0.6286 0.1047 -0.0295 0.0006 77 SER o CB +43941 O OG . SER EA 75 ? 0.7909 0.7673 0.7149 0.1024 -0.0292 -0.0001 77 SER o OG +43942 N N . LEU EA 76 ? 0.7848 0.7301 0.6821 0.1088 -0.0352 0.0023 78 LEU o N +43943 C CA . LEU EA 76 ? 0.8288 0.7641 0.7170 0.1132 -0.0368 0.0026 78 LEU o CA +43944 C C . LEU EA 76 ? 0.7653 0.7040 0.6547 0.1195 -0.0369 0.0012 78 LEU o C +43945 O O . LEU EA 76 ? 0.8478 0.7971 0.7452 0.1216 -0.0377 0.0000 78 LEU o O +43946 C CB . LEU EA 76 ? 0.7339 0.6666 0.6195 0.1137 -0.0400 0.0031 78 LEU o CB +43947 C CG . LEU EA 76 ? 0.7558 0.6879 0.6423 0.1076 -0.0400 0.0042 78 LEU o CG +43948 C CD1 . LEU EA 76 ? 0.7388 0.6688 0.6229 0.1088 -0.0432 0.0046 78 LEU o CD1 +43949 C CD2 . LEU EA 76 ? 0.7919 0.7142 0.6719 0.1036 -0.0380 0.0055 78 LEU o CD2 +43950 N N . ASP EA 77 ? 0.7632 0.6929 0.6449 0.1226 -0.0362 0.0014 79 ASP o N +43951 C CA . ASP EA 77 ? 0.7771 0.7103 0.6602 0.1285 -0.0360 0.0000 79 ASP o CA +43952 C C . ASP EA 77 ? 0.8030 0.7241 0.6754 0.1328 -0.0366 0.0003 79 ASP o C +43953 O O . ASP EA 77 ? 0.7859 0.6960 0.6502 0.1307 -0.0367 0.0016 79 ASP o O +43954 C CB . ASP EA 77 ? 0.8428 0.7823 0.7313 0.1270 -0.0327 -0.0007 79 ASP o CB +43955 C CG . ASP EA 77 ? 0.9783 0.9254 0.8716 0.1326 -0.0325 -0.0024 79 ASP o CG +43956 O OD1 . ASP EA 77 ? 0.8834 0.8305 0.7754 0.1379 -0.0350 -0.0030 79 ASP o OD1 +43957 O OD2 . ASP EA 77 ? 0.9393 0.8923 0.8375 0.1318 -0.0297 -0.0031 79 ASP o OD2 +43958 N N . GLN EA 78 ? 0.8026 0.7260 0.6755 0.1390 -0.0370 -0.0009 80 GLN o N +43959 C CA . GLN EA 78 ? 0.7379 0.6506 0.6012 0.1439 -0.0375 -0.0008 80 GLN o CA +43960 C C . GLN EA 78 ? 0.8491 0.7528 0.7048 0.1451 -0.0404 0.0002 80 GLN o C +43961 O O . GLN EA 78 ? 0.9335 0.8248 0.7791 0.1462 -0.0404 0.0010 80 GLN o O +43962 C CB . GLN EA 78 ? 0.7500 0.6543 0.6074 0.1418 -0.0345 -0.0004 80 GLN o CB +43963 C CG . GLN EA 78 ? 0.8800 0.7928 0.7443 0.1409 -0.0316 -0.0014 80 GLN o CG +43964 C CD . GLN EA 78 ? 1.3411 1.2456 1.1989 0.1407 -0.0290 -0.0013 80 GLN o CD +43965 O OE1 . GLN EA 78 ? 1.4069 1.3042 1.2580 0.1456 -0.0292 -0.0017 80 GLN o OE1 +43966 N NE2 . GLN EA 78 ? 1.1546 1.0601 1.0144 0.1352 -0.0265 -0.0009 80 GLN o NE2 +43967 N N . ILE EA 79 ? 0.9072 0.8171 0.7676 0.1447 -0.0428 0.0002 81 ILE o N +43968 C CA . ILE EA 79 ? 0.9351 0.8380 0.7892 0.1460 -0.0457 0.0011 81 ILE o CA +43969 C C . ILE EA 79 ? 0.8799 0.7828 0.7319 0.1537 -0.0482 0.0002 81 ILE o C +43970 O O . ILE EA 79 ? 0.9180 0.8317 0.7779 0.1571 -0.0487 -0.0014 81 ILE o O +43971 C CB . ILE EA 79 ? 0.8769 0.7865 0.7369 0.1418 -0.0472 0.0015 81 ILE o CB +43972 C CG1 . ILE EA 79 ? 0.8886 0.7951 0.7481 0.1343 -0.0449 0.0027 81 ILE o CG1 +43973 C CG2 . ILE EA 79 ? 0.7408 0.6455 0.5956 0.1444 -0.0507 0.0021 81 ILE o CG2 +43974 C CD1 . ILE EA 79 ? 0.7685 0.6839 0.6360 0.1297 -0.0454 0.0028 81 ILE o CD1 +43975 N N . GLN EA 80 ? 0.9349 0.8255 0.7763 0.1566 -0.0496 0.0010 82 GLN o N +43976 C CA . GLN EA 80 ? 0.9993 0.8884 0.8375 0.1643 -0.0520 0.0002 82 GLN o CA +43977 C C . GLN EA 80 ? 1.0460 0.9256 0.8757 0.1655 -0.0549 0.0015 82 GLN o C +43978 O O . GLN EA 80 ? 0.9336 0.8048 0.7576 0.1608 -0.0543 0.0030 82 GLN o O +43979 C CB . GLN EA 80 ? 1.0287 0.9112 0.8612 0.1683 -0.0503 -0.0002 82 GLN o CB +43980 C CG . GLN EA 80 ? 1.0725 0.9403 0.8943 0.1655 -0.0486 0.0012 82 GLN o CG +43981 C CD . GLN EA 80 ? 1.6008 1.4626 1.4174 0.1694 -0.0469 0.0006 82 GLN o CD +43982 O OE1 . GLN EA 80 ? 1.2827 1.1528 1.1058 0.1712 -0.0453 -0.0008 82 GLN o OE1 +43983 N NE2 . GLN EA 80 ? 1.5470 1.3943 1.3519 0.1707 -0.0470 0.0016 82 GLN o NE2 +43984 N N . GLY EA 81 ? 1.0783 0.9593 0.9071 0.1719 -0.0579 0.0007 83 GLY o N +43985 C CA . GLY EA 81 ? 1.1914 1.0627 1.0112 0.1739 -0.0607 0.0018 83 GLY o CA +43986 C C . GLY EA 81 ? 1.0006 0.8763 0.8215 0.1814 -0.0642 0.0007 83 GLY o C +43987 O O . GLY EA 81 ? 0.9776 0.8647 0.8071 0.1847 -0.0645 -0.0011 83 GLY o O +43988 N N . GLU EA 82 ? 1.1188 0.9851 0.9308 0.1840 -0.0669 0.0017 84 GLU o N +43989 C CA . GLU EA 82 ? 1.2603 1.1281 1.0710 0.1917 -0.0705 0.0008 84 GLU o CA +43990 C C . GLU EA 82 ? 1.1102 0.9913 0.9307 0.1915 -0.0732 -0.0002 84 GLU o C +43991 O O . GLU EA 82 ? 1.0829 0.9651 0.9050 0.1862 -0.0735 0.0006 84 GLU o O +43992 C CB . GLU EA 82 ? 1.1577 1.0100 0.9547 0.1943 -0.0723 0.0023 84 GLU o CB +43993 C CG . GLU EA 82 ? 1.6981 1.5478 1.4905 0.2032 -0.0752 0.0015 84 GLU o CG +43994 C CD . GLU EA 82 ? 1.8044 1.6435 1.5865 0.2057 -0.0783 0.0028 84 GLU o CD +43995 O OE1 . GLU EA 82 ? 1.6372 1.4684 1.4137 0.2005 -0.0776 0.0045 84 GLU o OE1 +43996 O OE2 . GLU EA 82 ? 1.9003 1.7392 1.6799 0.2131 -0.0814 0.0020 84 GLU o OE2 +43997 N N . LEU EA 83 ? 0.9228 0.8141 0.7501 0.1972 -0.0751 -0.0021 85 LEU o N +43998 C CA . LEU EA 83 ? 1.1846 1.0880 1.0205 0.1982 -0.0783 -0.0033 85 LEU o CA +43999 C C . LEU EA 83 ? 1.3137 1.2121 1.1428 0.2056 -0.0825 -0.0034 85 LEU o C +44000 O O . LEU EA 83 ? 1.2732 1.1729 1.1020 0.2125 -0.0836 -0.0046 85 LEU o O +44001 C CB . LEU EA 83 ? 0.9239 0.8438 0.7735 0.1989 -0.0775 -0.0055 85 LEU o CB +44002 C CG . LEU EA 83 ? 1.0058 0.9398 0.8660 0.1990 -0.0804 -0.0069 85 LEU o CG +44003 C CD1 . LEU EA 83 ? 0.9924 0.9288 0.8560 0.1912 -0.0798 -0.0060 85 LEU o CD1 +44004 C CD2 . LEU EA 83 ? 0.9920 0.9410 0.8644 0.2011 -0.0796 -0.0092 85 LEU o CD2 +44005 N N . LYS EA 84 ? 1.1591 1.0515 0.9824 0.2043 -0.0849 -0.0022 86 LYS o N +44006 C CA . LYS EA 84 ? 1.2192 1.1049 1.0344 0.2108 -0.0889 -0.0020 86 LYS o CA +44007 C C . LYS EA 84 ? 0.9915 0.8900 0.8152 0.2135 -0.0929 -0.0037 86 LYS o C +44008 O O . LYS EA 84 ? 1.1389 1.0477 0.9719 0.2086 -0.0928 -0.0042 86 LYS o O +44009 C CB . LYS EA 84 ? 1.1206 0.9913 0.9235 0.2081 -0.0892 0.0003 86 LYS o CB +44010 C CG . LYS EA 84 ? 1.4957 1.3544 1.2910 0.2038 -0.0851 0.0020 86 LYS o CG +44011 C CD . LYS EA 84 ? 1.6486 1.4904 1.4295 0.2036 -0.0857 0.0041 86 LYS o CD +44012 C CE . LYS EA 84 ? 1.3223 1.1639 1.1033 0.1978 -0.0863 0.0052 86 LYS o CE +44013 N NZ . LYS EA 84 ? 1.5353 1.3601 1.3030 0.1954 -0.0851 0.0075 86 LYS o NZ +44014 N N . VAL EA 85 ? 1.0431 0.9407 0.8634 0.2215 -0.0965 -0.0045 87 VAL o N +44015 C CA . VAL EA 85 ? 1.2238 1.1309 1.0496 0.2249 -0.1010 -0.0059 87 VAL o CA +44016 C C . VAL EA 85 ? 1.0996 0.9946 0.9136 0.2263 -0.1040 -0.0043 87 VAL o C +44017 O O . VAL EA 85 ? 1.1954 1.0765 0.9972 0.2303 -0.1043 -0.0031 87 VAL o O +44018 C CB . VAL EA 85 ? 1.1847 1.1002 1.0156 0.2331 -0.1032 -0.0081 87 VAL o CB +44019 C CG1 . VAL EA 85 ? 1.1381 1.0656 0.9768 0.2358 -0.1077 -0.0098 87 VAL o CG1 +44020 C CG2 . VAL EA 85 ? 1.1130 1.0381 0.9537 0.2318 -0.0996 -0.0095 87 VAL o CG2 +44021 N N . ASN EA 86 ? 1.1013 1.0009 0.9186 0.2230 -0.1060 -0.0043 88 ASN o N +44022 C CA . ASN EA 86 ? 1.2144 1.1029 1.0208 0.2235 -0.1086 -0.0027 88 ASN o CA +44023 C C . ASN EA 86 ? 1.1649 1.0575 0.9711 0.2309 -0.1141 -0.0040 88 ASN o C +44024 O O . ASN EA 86 ? 0.9695 0.8752 0.7857 0.2348 -0.1160 -0.0063 88 ASN o O +44025 C CB . ASN EA 86 ? 1.0061 0.8961 0.8150 0.2153 -0.1076 -0.0017 88 ASN o CB +44026 C CG . ASN EA 86 ? 1.1589 1.0450 0.9679 0.2079 -0.1025 -0.0004 88 ASN o CG +44027 O OD1 . ASN EA 86 ? 0.9900 0.8631 0.7892 0.2077 -0.1001 0.0012 88 ASN o OD1 +44028 N ND2 . ASN EA 86 ? 0.9415 0.8387 0.7615 0.2018 -0.1008 -0.0011 88 ASN o ND2 +44029 N N . SER EA 87 ? 1.1370 1.0181 0.9318 0.2325 -0.1166 -0.0025 89 SER o N +44030 C CA . SER EA 87 ? 1.2438 1.1261 1.0360 0.2397 -0.1220 -0.0035 89 SER o CA +44031 C C . SER EA 87 ? 1.1232 1.0232 0.9290 0.2396 -0.1249 -0.0059 89 SER o C +44032 O O . SER EA 87 ? 1.2276 1.1345 1.0367 0.2464 -0.1289 -0.0077 89 SER o O +44033 C CB . SER EA 87 ? 1.2100 1.0778 0.9884 0.2395 -0.1237 -0.0014 89 SER o CB +44034 O OG . SER EA 87 ? 1.4015 1.2525 1.1665 0.2408 -0.1215 0.0007 89 SER o OG +44035 N N . ASP EA 88 ? 1.1532 1.0608 0.9673 0.2319 -0.1231 -0.0059 90 ASP o N +44036 C CA . ASP EA 88 ? 0.9504 0.8742 0.7772 0.2308 -0.1257 -0.0081 90 ASP o CA +44037 C C . ASP EA 88 ? 0.9218 0.8611 0.7633 0.2297 -0.1236 -0.0102 90 ASP o C +44038 O O . ASP EA 88 ? 1.0215 0.9750 0.8749 0.2275 -0.1250 -0.0120 90 ASP o O +44039 C CB . ASP EA 88 ? 1.1377 1.0610 0.9649 0.2232 -0.1252 -0.0071 90 ASP o CB +44040 C CG . ASP EA 88 ? 1.1086 1.0327 0.9403 0.2149 -0.1198 -0.0061 90 ASP o CG +44041 O OD1 . ASP EA 88 ? 1.1978 1.1159 1.0263 0.2145 -0.1162 -0.0053 90 ASP o OD1 +44042 O OD2 . ASP EA 88 ? 1.2061 1.1368 1.0443 0.2087 -0.1193 -0.0063 90 ASP o OD2 +44043 N N . GLY EA 89 ? 1.0128 0.9495 0.8536 0.2311 -0.1204 -0.0100 91 GLY o N +44044 C CA . GLY EA 89 ? 1.0582 1.0088 0.9121 0.2307 -0.1183 -0.0120 91 GLY o CA +44045 C C . GLY EA 89 ? 1.1565 1.1120 1.0178 0.2219 -0.1137 -0.0115 91 GLY o C +44046 O O . GLY EA 89 ? 1.0964 1.0622 0.9677 0.2211 -0.1113 -0.0129 91 GLY o O +44047 N N . SER EA 90 ? 1.0984 1.0469 0.9551 0.2154 -0.1123 -0.0097 92 SER o N +44048 C CA . SER EA 90 ? 1.1229 1.0733 0.9844 0.2074 -0.1077 -0.0090 92 SER o CA +44049 C C . SER EA 90 ? 1.1840 1.1250 1.0394 0.2073 -0.1036 -0.0077 92 SER o C +44050 O O . SER EA 90 ? 1.0418 0.9707 0.8860 0.2120 -0.1042 -0.0067 92 SER o O +44051 C CB . SER EA 90 ? 0.8680 0.8123 0.7251 0.2010 -0.1074 -0.0073 92 SER o CB +44052 O OG . SER EA 90 ? 1.0161 0.9433 0.8587 0.2015 -0.1068 -0.0049 92 SER o OG +44053 N N . LEU EA 91 ? 1.1693 1.1157 1.0318 0.2019 -0.0995 -0.0078 93 LEU o N +44054 C CA . LEU EA 91 ? 1.0586 0.9965 0.9160 0.2007 -0.0953 -0.0067 93 LEU o CA +44055 C C . LEU EA 91 ? 0.9607 0.8899 0.8130 0.1930 -0.0924 -0.0045 93 LEU o C +44056 O O . LEU EA 91 ? 0.9431 0.8776 0.8006 0.1874 -0.0923 -0.0044 93 LEU o O +44057 C CB . LEU EA 91 ? 1.0441 0.9937 0.9125 0.2003 -0.0925 -0.0083 93 LEU o CB +44058 C CG . LEU EA 91 ? 1.1076 1.0707 0.9854 0.2062 -0.0952 -0.0109 93 LEU o CG +44059 C CD1 . LEU EA 91 ? 1.1678 1.1438 1.0579 0.2038 -0.0919 -0.0124 93 LEU o CD1 +44060 C CD2 . LEU EA 91 ? 1.0437 1.0000 0.9138 0.2147 -0.0971 -0.0111 93 LEU o CD2 +44061 N N . THR EA 92 ? 0.9646 0.8804 0.8067 0.1928 -0.0900 -0.0029 94 THR o N +44062 C CA . THR EA 92 ? 1.0773 0.9845 0.9144 0.1856 -0.0869 -0.0009 94 THR o CA +44063 C C . THR EA 92 ? 1.0653 0.9685 0.9013 0.1837 -0.0826 -0.0004 94 THR o C +44064 O O . THR EA 92 ? 0.9838 0.8778 0.8117 0.1879 -0.0822 0.0000 94 THR o O +44065 C CB . THR EA 92 ? 0.9796 0.8719 0.8034 0.1863 -0.0884 0.0010 94 THR o CB +44066 O OG1 . THR EA 92 ? 1.0734 0.9697 0.8989 0.1860 -0.0918 0.0008 94 THR o OG1 +44067 C CG2 . THR EA 92 ? 0.9666 0.8486 0.7843 0.1796 -0.0848 0.0031 94 THR o CG2 +44068 N N . PHE EA 93 ? 1.0136 0.9234 0.8573 0.1773 -0.0795 -0.0005 95 PHE o N +44069 C CA . PHE EA 93 ? 0.9239 0.8290 0.7658 0.1745 -0.0754 0.0001 95 PHE o CA +44070 C C . PHE EA 93 ? 0.8069 0.6984 0.6389 0.1697 -0.0737 0.0023 95 PHE o C +44071 O O . PHE EA 93 ? 0.9792 0.8704 0.8115 0.1650 -0.0741 0.0032 95 PHE o O +44072 C CB . PHE EA 93 ? 0.8992 0.8170 0.7533 0.1699 -0.0728 -0.0009 95 PHE o CB +44073 C CG . PHE EA 93 ? 0.9932 0.9063 0.8456 0.1663 -0.0685 -0.0002 95 PHE o CG +44074 C CD1 . PHE EA 93 ? 1.0469 0.9555 0.8954 0.1705 -0.0672 -0.0006 95 PHE o CD1 +44075 C CD2 . PHE EA 93 ? 0.9347 0.8474 0.7888 0.1588 -0.0660 0.0008 95 PHE o CD2 +44076 C CE1 . PHE EA 93 ? 1.1309 1.0348 0.9773 0.1673 -0.0634 0.0000 95 PHE o CE1 +44077 C CE2 . PHE EA 93 ? 0.9465 0.8547 0.7987 0.1555 -0.0623 0.0014 95 PHE o CE2 +44078 C CZ . PHE EA 93 ? 1.1702 1.0739 1.0185 0.1597 -0.0610 0.0010 95 PHE o CZ +44079 N N . VAL EA 94 ? 0.9403 0.8204 0.7635 0.1711 -0.0718 0.0032 96 VAL o N +44080 C CA . VAL EA 94 ? 0.9117 0.7784 0.7253 0.1667 -0.0698 0.0052 96 VAL o CA +44081 C C . VAL EA 94 ? 1.0084 0.8740 0.8233 0.1636 -0.0658 0.0052 96 VAL o C +44082 O O . VAL EA 94 ? 0.9185 0.7815 0.7310 0.1678 -0.0650 0.0046 96 VAL o O +44083 C CB . VAL EA 94 ? 1.0691 0.9214 0.8695 0.1713 -0.0714 0.0063 96 VAL o CB +44084 C CG1 . VAL EA 94 ? 0.8346 0.6733 0.6255 0.1663 -0.0691 0.0082 96 VAL o CG1 +44085 C CG2 . VAL EA 94 ? 0.9346 0.7879 0.7334 0.1753 -0.0756 0.0061 96 VAL o CG2 +44086 N N . GLU EA 95 ? 1.0618 0.9291 0.8801 0.1564 -0.0634 0.0059 97 GLU o N +44087 C CA . GLU EA 95 ? 0.9692 0.8364 0.7894 0.1533 -0.0598 0.0058 97 GLU o CA +44088 C C . GLU EA 95 ? 1.0483 0.9003 0.8566 0.1538 -0.0583 0.0070 97 GLU o C +44089 O O . GLU EA 95 ? 0.9672 0.8086 0.7669 0.1525 -0.0589 0.0084 97 GLU o O +44090 C CB . GLU EA 95 ? 0.9557 0.8283 0.7823 0.1457 -0.0577 0.0062 97 GLU o CB +44091 C CG . GLU EA 95 ? 1.0513 0.9264 0.8816 0.1427 -0.0542 0.0058 97 GLU o CG +44092 C CD . GLU EA 95 ? 0.9922 0.8602 0.8188 0.1360 -0.0517 0.0072 97 GLU o CD +44093 O OE1 . GLU EA 95 ? 1.0078 0.8681 0.8283 0.1338 -0.0525 0.0085 97 GLU o OE1 +44094 O OE2 . GLU EA 95 ? 0.9832 0.8533 0.8129 0.1331 -0.0489 0.0070 97 GLU o OE2 +44095 N N . GLU EA 96 ? 0.9003 0.7511 0.7082 0.1556 -0.0563 0.0063 98 GLU o N +44096 C CA . GLU EA 96 ? 1.1563 0.9933 0.9534 0.1563 -0.0548 0.0071 98 GLU o CA +44097 C C . GLU EA 96 ? 1.1264 0.9614 0.9242 0.1503 -0.0513 0.0075 98 GLU o C +44098 O O . GLU EA 96 ? 1.1086 0.9327 0.8988 0.1468 -0.0501 0.0089 98 GLU o O +44099 C CB . GLU EA 96 ? 1.0997 0.9354 0.8943 0.1638 -0.0555 0.0060 98 GLU o CB +44100 C CG . GLU EA 96 ? 1.5337 1.3542 1.3162 0.1657 -0.0545 0.0068 98 GLU o CG +44101 C CD . GLU EA 96 ? 1.8966 1.7170 1.6780 0.1723 -0.0543 0.0055 98 GLU o CD +44102 O OE1 . GLU EA 96 ? 1.7484 1.5812 1.5392 0.1749 -0.0546 0.0040 98 GLU o OE1 +44103 O OE2 . GLU EA 96 ? 1.8869 1.6946 1.6579 0.1749 -0.0539 0.0060 98 GLU o OE2 +44104 N N . ASP EA 97 ? 1.0000 0.8455 0.8070 0.1489 -0.0496 0.0064 99 ASP o N +44105 C CA . ASP EA 97 ? 0.9871 0.8315 0.7951 0.1438 -0.0463 0.0066 99 ASP o CA +44106 C C . ASP EA 97 ? 0.9261 0.7850 0.7461 0.1422 -0.0451 0.0054 99 ASP o C +44107 O O . ASP EA 97 ? 0.9909 0.8597 0.8178 0.1458 -0.0466 0.0043 99 ASP o O +44108 C CB . ASP EA 97 ? 0.9980 0.8325 0.7981 0.1464 -0.0447 0.0065 99 ASP o CB +44109 C CG . ASP EA 97 ? 1.0380 0.8681 0.8365 0.1407 -0.0417 0.0070 99 ASP o CG +44110 O OD1 . ASP EA 97 ? 1.1284 0.9605 0.9299 0.1346 -0.0409 0.0078 99 ASP o OD1 +44111 O OD2 . ASP EA 97 ? 1.1232 0.9478 0.9174 0.1424 -0.0401 0.0066 99 ASP o OD2 +44112 N N . GLY EA 98 ? 0.8799 0.7396 0.7023 0.1368 -0.0424 0.0057 100 GLY o N +44113 C CA . GLY EA 98 ? 0.8053 0.6770 0.6378 0.1353 -0.0407 0.0046 100 GLY o CA +44114 C C . GLY EA 98 ? 0.9204 0.7928 0.7554 0.1280 -0.0385 0.0053 100 GLY o C +44115 O O . GLY EA 98 ? 0.8127 0.6763 0.6416 0.1242 -0.0381 0.0066 100 GLY o O +44116 N N . ILE EA 99 ? 0.8381 0.7212 0.6821 0.1260 -0.0369 0.0045 101 ILE o N +44117 C CA . ILE EA 99 ? 0.8199 0.7057 0.6678 0.1192 -0.0351 0.0052 101 ILE o CA +44118 C C . ILE EA 99 ? 0.7663 0.6593 0.6201 0.1171 -0.0370 0.0054 101 ILE o C +44119 O O . ILE EA 99 ? 0.8374 0.7419 0.7002 0.1171 -0.0371 0.0045 101 ILE o O +44120 C CB . ILE EA 99 ? 0.8400 0.7327 0.6939 0.1179 -0.0324 0.0043 101 ILE o CB +44121 C CG1 . ILE EA 99 ? 0.8927 0.7766 0.7393 0.1197 -0.0307 0.0042 101 ILE o CG1 +44122 C CG2 . ILE EA 99 ? 0.8314 0.7277 0.6897 0.1112 -0.0309 0.0049 101 ILE o CG2 +44123 C CD1 . ILE EA 99 ? 1.0243 0.9146 0.8753 0.1226 -0.0289 0.0028 101 ILE o CD1 +44124 N N . ASP EA 100 ? 0.7674 0.6533 0.6157 0.1154 -0.0385 0.0066 102 ASP o N +44125 C CA . ASP EA 100 ? 0.7387 0.6292 0.5902 0.1152 -0.0410 0.0067 102 ASP o CA +44126 C C . ASP EA 100 ? 0.7959 0.6872 0.6496 0.1086 -0.0404 0.0077 102 ASP o C +44127 O O . ASP EA 100 ? 0.7939 0.6863 0.6482 0.1079 -0.0424 0.0081 102 ASP o O +44128 C CB . ASP EA 100 ? 0.7844 0.6667 0.6279 0.1196 -0.0436 0.0072 102 ASP o CB +44129 C CG . ASP EA 100 ? 0.8493 0.7174 0.6821 0.1177 -0.0430 0.0086 102 ASP o CG +44130 O OD1 . ASP EA 100 ? 0.8051 0.6698 0.6367 0.1126 -0.0408 0.0093 102 ASP o OD1 +44131 O OD2 . ASP EA 100 ? 0.8965 0.7567 0.7217 0.1215 -0.0447 0.0090 102 ASP o OD2 +44132 N N . PHE EA 101 ? 0.8044 0.6958 0.6597 0.1041 -0.0379 0.0080 103 PHE o N +44133 C CA . PHE EA 101 ? 0.7910 0.6839 0.6490 0.0979 -0.0371 0.0088 103 PHE o CA +44134 C C . PHE EA 101 ? 0.7514 0.6494 0.6146 0.0946 -0.0344 0.0084 103 PHE o C +44135 O O . PHE EA 101 ? 0.7520 0.6477 0.6132 0.0962 -0.0328 0.0080 103 PHE o O +44136 C CB . PHE EA 101 ? 0.6403 0.5215 0.4896 0.0952 -0.0370 0.0101 103 PHE o CB +44137 C CG . PHE EA 101 ? 0.7343 0.6074 0.5778 0.0944 -0.0349 0.0103 103 PHE o CG +44138 C CD1 . PHE EA 101 ? 0.7420 0.6082 0.5790 0.0990 -0.0351 0.0101 103 PHE o CD1 +44139 C CD2 . PHE EA 101 ? 0.7332 0.6061 0.5782 0.0892 -0.0328 0.0107 103 PHE o CD2 +44140 C CE1 . PHE EA 101 ? 0.8178 0.6763 0.6493 0.0983 -0.0332 0.0102 103 PHE o CE1 +44141 C CE2 . PHE EA 101 ? 0.7403 0.6060 0.5801 0.0884 -0.0310 0.0108 103 PHE o CE2 +44142 C CZ . PHE EA 101 ? 0.7437 0.6022 0.5767 0.0928 -0.0311 0.0105 103 PHE o CZ +44143 N N . GLN EA 102 ? 0.6947 0.5993 0.5643 0.0900 -0.0339 0.0086 104 GLN o N +44144 C CA . GLN EA 102 ? 0.7179 0.6265 0.5919 0.0859 -0.0314 0.0085 104 GLN o CA +44145 C C . GLN EA 102 ? 0.7320 0.6408 0.6075 0.0804 -0.0315 0.0094 104 GLN o C +44146 O O . GLN EA 102 ? 0.7379 0.6520 0.6175 0.0799 -0.0331 0.0094 104 GLN o O +44147 C CB . GLN EA 102 ? 0.7017 0.6220 0.5848 0.0869 -0.0306 0.0074 104 GLN o CB +44148 C CG . GLN EA 102 ? 0.7149 0.6368 0.5979 0.0923 -0.0302 0.0063 104 GLN o CG +44149 C CD . GLN EA 102 ? 0.7469 0.6616 0.6242 0.0927 -0.0282 0.0064 104 GLN o CD +44150 O OE1 . GLN EA 102 ? 0.7565 0.6666 0.6312 0.0885 -0.0268 0.0071 104 GLN o OE1 +44151 N NE2 . GLN EA 102 ? 0.7766 0.6901 0.6517 0.0979 -0.0282 0.0056 104 GLN o NE2 +44152 N N . PRO EA 103 ? 0.8489 0.7522 0.7212 0.0764 -0.0299 0.0102 105 PRO o N +44153 C CA . PRO EA 103 ? 0.6116 0.5174 0.4873 0.0710 -0.0295 0.0108 105 PRO o CA +44154 C C . PRO EA 103 ? 0.6473 0.5639 0.5320 0.0694 -0.0285 0.0102 105 PRO o C +44155 O O . PRO EA 103 ? 0.7144 0.6346 0.6017 0.0706 -0.0270 0.0095 105 PRO o O +44156 C CB . PRO EA 103 ? 0.7143 0.6121 0.5847 0.0678 -0.0278 0.0115 105 PRO o CB +44157 C CG . PRO EA 103 ? 0.7196 0.6133 0.5859 0.0711 -0.0268 0.0110 105 PRO o CG +44158 C CD . PRO EA 103 ? 0.7583 0.6536 0.6243 0.0767 -0.0283 0.0103 105 PRO o CD +44159 N N . VAL EA 104 ? 0.5969 0.5188 0.4864 0.0669 -0.0294 0.0104 106 VAL o N +44160 C CA . VAL EA 104 ? 0.6589 0.5909 0.5570 0.0649 -0.0287 0.0099 106 VAL o CA +44161 C C . VAL EA 104 ? 0.7001 0.6323 0.5998 0.0596 -0.0284 0.0107 106 VAL o C +44162 O O . VAL EA 104 ? 0.6921 0.6199 0.5885 0.0585 -0.0297 0.0113 106 VAL o O +44163 C CB . VAL EA 104 ? 0.7311 0.6709 0.6345 0.0679 -0.0306 0.0090 106 VAL o CB +44164 C CG1 . VAL EA 104 ? 0.6290 0.5792 0.5414 0.0655 -0.0297 0.0084 106 VAL o CG1 +44165 C CG2 . VAL EA 104 ? 0.6719 0.6116 0.5738 0.0735 -0.0310 0.0081 106 VAL o CG2 +44166 N N . THR EA 105 ? 0.6158 0.5527 0.5202 0.0564 -0.0265 0.0106 107 THR o N +44167 C CA . THR EA 105 ? 0.6356 0.5744 0.5428 0.0517 -0.0264 0.0112 107 THR o CA +44168 C C . THR EA 105 ? 0.6586 0.6076 0.5743 0.0507 -0.0261 0.0105 107 THR o C +44169 O O . THR EA 105 ? 0.7247 0.6783 0.6439 0.0510 -0.0244 0.0100 107 THR o O +44170 C CB . THR EA 105 ? 0.6550 0.5890 0.5595 0.0481 -0.0246 0.0119 107 THR o CB +44171 O OG1 . THR EA 105 ? 0.7033 0.6277 0.5999 0.0486 -0.0249 0.0125 107 THR o OG1 +44172 C CG2 . THR EA 105 ? 0.5548 0.4910 0.4623 0.0435 -0.0246 0.0125 107 THR o CG2 +44173 N N . VAL EA 106 ? 0.6699 0.6222 0.5885 0.0496 -0.0278 0.0105 108 VAL o N +44174 C CA . VAL EA 106 ? 0.6971 0.6587 0.6237 0.0479 -0.0276 0.0100 108 VAL o CA +44175 C C . VAL EA 106 ? 0.7925 0.7534 0.7200 0.0430 -0.0272 0.0107 108 VAL o C +44176 O O . VAL EA 106 ? 0.7393 0.6936 0.6619 0.0414 -0.0276 0.0116 108 VAL o O +44177 C CB . VAL EA 106 ? 0.7142 0.6810 0.6441 0.0506 -0.0300 0.0091 108 VAL o CB +44178 C CG1 . VAL EA 106 ? 0.7155 0.6830 0.6445 0.0557 -0.0305 0.0083 108 VAL o CG1 +44179 C CG2 . VAL EA 106 ? 0.6484 0.6107 0.5745 0.0502 -0.0322 0.0096 108 VAL o CG2 +44180 N N . GLN EA 107 ? 0.7367 0.7047 0.6707 0.0406 -0.0262 0.0104 109 GLN o N +44181 C CA . GLN EA 107 ? 0.7693 0.7373 0.7046 0.0360 -0.0256 0.0111 109 GLN o CA +44182 C C . GLN EA 107 ? 0.6840 0.6591 0.6254 0.0348 -0.0268 0.0105 109 GLN o C +44183 O O . GLN EA 107 ? 0.6716 0.6538 0.6185 0.0360 -0.0267 0.0096 109 GLN o O +44184 C CB . GLN EA 107 ? 0.7111 0.6800 0.6478 0.0338 -0.0230 0.0113 109 GLN o CB +44185 C CG . GLN EA 107 ? 0.8451 0.8129 0.7823 0.0293 -0.0223 0.0121 109 GLN o CG +44186 C CD . GLN EA 107 ? 0.7348 0.7007 0.6709 0.0274 -0.0200 0.0126 109 GLN o CD +44187 O OE1 . GLN EA 107 ? 0.7625 0.7228 0.6937 0.0284 -0.0193 0.0128 109 GLN o OE1 +44188 N NE2 . GLN EA 107 ? 0.7346 0.7047 0.6750 0.0245 -0.0187 0.0127 109 GLN o NE2 +44189 N N . MET EA 108 ? 0.6911 0.6639 0.6314 0.0325 -0.0280 0.0110 110 MET o N +44190 C CA . MET EA 108 ? 0.7732 0.7515 0.7184 0.0308 -0.0292 0.0105 110 MET o CA +44191 C C . MET EA 108 ? 0.7148 0.6963 0.6641 0.0267 -0.0274 0.0108 110 MET o C +44192 O O . MET EA 108 ? 0.6446 0.6227 0.5918 0.0248 -0.0256 0.0115 110 MET o O +44193 C CB . MET EA 108 ? 0.8201 0.7940 0.7617 0.0303 -0.0312 0.0110 110 MET o CB +44194 C CG . MET EA 108 ? 0.9948 0.9635 0.9307 0.0340 -0.0328 0.0110 110 MET o CG +44195 S SD . MET EA 108 ? 1.0777 1.0446 1.0117 0.0341 -0.0357 0.0110 110 MET o SD +44196 C CE . MET EA 108 ? 0.9301 0.8939 0.8632 0.0290 -0.0346 0.0120 110 MET o CE +44197 N N . ALA EA 109 ? 0.7280 0.7160 0.6830 0.0253 -0.0281 0.0101 111 ALA o N +44198 C CA . ALA EA 109 ? 0.7770 0.7675 0.7355 0.0212 -0.0268 0.0104 111 ALA o CA +44199 C C . ALA EA 109 ? 0.7901 0.7740 0.7441 0.0186 -0.0266 0.0115 111 ALA o C +44200 O O . ALA EA 109 ? 0.8304 0.8102 0.7808 0.0190 -0.0283 0.0117 111 ALA o O +44201 C CB . ALA EA 109 ? 0.7554 0.7523 0.7194 0.0203 -0.0283 0.0095 111 ALA o CB +44202 N N . GLY EA 110 ? 0.7932 0.7758 0.7471 0.0161 -0.0246 0.0121 112 GLY o N +44203 C CA . GLY EA 110 ? 0.7710 0.7477 0.7209 0.0137 -0.0243 0.0131 112 GLY o CA +44204 C C . GLY EA 110 ? 0.8339 0.8042 0.7782 0.0147 -0.0235 0.0137 112 GLY o C +44205 O O . GLY EA 110 ? 0.7626 0.7283 0.7039 0.0126 -0.0230 0.0144 112 GLY o O +44206 N N . GLY EA 111 ? 0.7517 0.7215 0.6944 0.0179 -0.0234 0.0134 113 GLY o N +44207 C CA . GLY EA 111 ? 0.6632 0.6275 0.6011 0.0188 -0.0223 0.0138 113 GLY o CA +44208 C C . GLY EA 111 ? 0.7257 0.6837 0.6577 0.0210 -0.0236 0.0140 113 GLY o C +44209 O O . GLY EA 111 ? 0.7579 0.7112 0.6858 0.0220 -0.0228 0.0143 113 GLY o O +44210 N N . GLU EA 112 ? 0.7167 0.6741 0.6480 0.0219 -0.0255 0.0139 114 GLU o N +44211 C CA . GLU EA 112 ? 0.8154 0.7663 0.7406 0.0239 -0.0266 0.0142 114 GLU o CA +44212 C C . GLU EA 112 ? 0.7659 0.7165 0.6896 0.0279 -0.0268 0.0137 114 GLU o C +44213 O O . GLU EA 112 ? 0.7571 0.7133 0.6846 0.0301 -0.0274 0.0129 114 GLU o O +44214 C CB . GLU EA 112 ? 0.7166 0.6669 0.6411 0.0239 -0.0287 0.0142 114 GLU o CB +44215 C CG . GLU EA 112 ? 0.9198 0.8627 0.8375 0.0256 -0.0296 0.0146 114 GLU o CG +44216 C CD . GLU EA 112 ? 1.1624 1.1042 1.0787 0.0261 -0.0316 0.0146 114 GLU o CD +44217 O OE1 . GLU EA 112 ? 1.1049 1.0519 1.0256 0.0249 -0.0325 0.0142 114 GLU o OE1 +44218 O OE2 . GLU EA 112 ? 1.2967 1.2320 1.2071 0.0275 -0.0323 0.0151 114 GLU o OE2 +44219 N N . ARG EA 113 ? 0.6576 0.6015 0.5756 0.0289 -0.0262 0.0141 115 ARG o N +44220 C CA . ARG EA 113 ? 0.7261 0.6684 0.6416 0.0329 -0.0263 0.0137 115 ARG o CA +44221 C C . ARG EA 113 ? 0.7099 0.6473 0.6205 0.0354 -0.0282 0.0138 115 ARG o C +44222 O O . ARG EA 113 ? 0.7187 0.6503 0.6250 0.0340 -0.0286 0.0145 115 ARG o O +44223 C CB . ARG EA 113 ? 0.7142 0.6517 0.6259 0.0326 -0.0246 0.0140 115 ARG o CB +44224 C CG . ARG EA 113 ? 0.8144 0.7568 0.7305 0.0315 -0.0228 0.0137 115 ARG o CG +44225 C CD . ARG EA 113 ? 0.7547 0.6927 0.6679 0.0289 -0.0213 0.0142 115 ARG o CD +44226 N NE . ARG EA 113 ? 0.7021 0.6443 0.6188 0.0279 -0.0195 0.0140 115 ARG o NE +44227 C CZ . ARG EA 113 ? 0.7606 0.6994 0.6748 0.0266 -0.0181 0.0143 115 ARG o CZ +44228 N NH1 . ARG EA 113 ? 0.6929 0.6245 0.6015 0.0260 -0.0182 0.0147 115 ARG o NH1 +44229 N NH2 . ARG EA 113 ? 0.6402 0.5828 0.5573 0.0259 -0.0164 0.0141 115 ARG o NH2 +44230 N N . ILE EA 114 ? 0.6968 0.6369 0.6084 0.0393 -0.0293 0.0131 116 ILE o N +44231 C CA . ILE EA 114 ? 0.6296 0.5656 0.5367 0.0424 -0.0313 0.0131 116 ILE o CA +44232 C C . ILE EA 114 ? 0.6769 0.6093 0.5801 0.0462 -0.0310 0.0129 116 ILE o C +44233 O O . ILE EA 114 ? 0.7049 0.6423 0.6114 0.0491 -0.0311 0.0121 116 ILE o O +44234 C CB . ILE EA 114 ? 0.7581 0.7006 0.6696 0.0440 -0.0334 0.0124 116 ILE o CB +44235 C CG1 . ILE EA 114 ? 0.7582 0.7045 0.6739 0.0401 -0.0336 0.0125 116 ILE o CG1 +44236 C CG2 . ILE EA 114 ? 0.6678 0.6055 0.5741 0.0474 -0.0356 0.0125 116 ILE o CG2 +44237 C CD1 . ILE EA 114 ? 0.7399 0.6799 0.6509 0.0379 -0.0341 0.0134 116 ILE o CD1 +44238 N N . PRO EA 115 ? 0.7264 0.6501 0.6226 0.0463 -0.0306 0.0135 117 PRO o N +44239 C CA . PRO EA 115 ? 0.7874 0.7068 0.6792 0.0502 -0.0305 0.0133 117 PRO o CA +44240 C C . PRO EA 115 ? 0.7540 0.6706 0.6421 0.0540 -0.0328 0.0132 117 PRO o C +44241 O O . PRO EA 115 ? 0.7492 0.6629 0.6349 0.0530 -0.0340 0.0137 117 PRO o O +44242 C CB . PRO EA 115 ? 0.6852 0.5962 0.5710 0.0481 -0.0291 0.0140 117 PRO o CB +44243 C CG . PRO EA 115 ? 0.7841 0.6949 0.6711 0.0433 -0.0286 0.0146 117 PRO o CG +44244 C CD . PRO EA 115 ? 0.7990 0.7164 0.6912 0.0427 -0.0300 0.0144 117 PRO o CD +44245 N N . LEU EA 116 ? 0.7107 0.6283 0.5984 0.0584 -0.0332 0.0125 118 LEU o N +44246 C CA . LEU EA 116 ? 0.7286 0.6433 0.6125 0.0626 -0.0354 0.0124 118 LEU o CA +44247 C C . LEU EA 116 ? 0.7241 0.6348 0.6038 0.0668 -0.0351 0.0120 118 LEU o C +44248 O O . LEU EA 116 ? 0.7967 0.7102 0.6789 0.0672 -0.0334 0.0115 118 LEU o O +44249 C CB . LEU EA 116 ? 0.7071 0.6306 0.5973 0.0643 -0.0374 0.0116 118 LEU o CB +44250 C CG . LEU EA 116 ? 0.7464 0.6787 0.6432 0.0666 -0.0369 0.0104 118 LEU o CG +44251 C CD1 . LEU EA 116 ? 0.7961 0.7317 0.6939 0.0716 -0.0394 0.0095 118 LEU o CD1 +44252 C CD2 . LEU EA 116 ? 0.7244 0.6653 0.6294 0.0627 -0.0360 0.0101 118 LEU o CD2 +44253 N N . LEU EA 117 ? 0.7317 0.6354 0.6047 0.0699 -0.0365 0.0124 119 LEU o N +44254 C CA . LEU EA 117 ? 0.7399 0.6396 0.6086 0.0747 -0.0367 0.0120 119 LEU o CA +44255 C C . LEU EA 117 ? 0.7322 0.6387 0.6048 0.0793 -0.0387 0.0110 119 LEU o C +44256 O O . LEU EA 117 ? 0.7576 0.6619 0.6273 0.0817 -0.0410 0.0111 119 LEU o O +44257 C CB . LEU EA 117 ? 0.7565 0.6443 0.6153 0.0755 -0.0370 0.0129 119 LEU o CB +44258 C CG . LEU EA 117 ? 0.9364 0.8178 0.7894 0.0793 -0.0365 0.0126 119 LEU o CG +44259 C CD1 . LEU EA 117 ? 0.7241 0.6027 0.5762 0.0766 -0.0339 0.0127 119 LEU o CD1 +44260 C CD2 . LEU EA 117 ? 0.8713 0.7421 0.7150 0.0814 -0.0378 0.0134 119 LEU o CD2 +44261 N N . PHE EA 118 ? 0.6719 0.5869 0.5513 0.0805 -0.0380 0.0099 120 PHE o N +44262 C CA . PHE EA 118 ? 0.7793 0.7013 0.6629 0.0851 -0.0398 0.0088 120 PHE o CA +44263 C C . PHE EA 118 ? 0.7983 0.7138 0.6752 0.0906 -0.0407 0.0086 120 PHE o C +44264 O O . PHE EA 118 ? 0.7966 0.7079 0.6703 0.0917 -0.0389 0.0086 120 PHE o O +44265 C CB . PHE EA 118 ? 0.7572 0.6897 0.6496 0.0847 -0.0384 0.0077 120 PHE o CB +44266 C CG . PHE EA 118 ? 0.8289 0.7692 0.7262 0.0895 -0.0399 0.0064 120 PHE o CG +44267 C CD1 . PHE EA 118 ? 0.8618 0.8050 0.7605 0.0913 -0.0428 0.0060 120 PHE o CD1 +44268 C CD2 . PHE EA 118 ? 0.7213 0.6659 0.6217 0.0922 -0.0385 0.0054 120 PHE o CD2 +44269 C CE1 . PHE EA 118 ? 0.8001 0.7508 0.7036 0.0958 -0.0445 0.0047 120 PHE o CE1 +44270 C CE2 . PHE EA 118 ? 0.8503 0.8026 0.7556 0.0967 -0.0400 0.0041 120 PHE o CE2 +44271 C CZ . PHE EA 118 ? 0.8238 0.7791 0.7306 0.0985 -0.0430 0.0037 120 PHE o CZ +44272 N N . THR EA 119 ? 0.7397 0.6539 0.6141 0.0943 -0.0434 0.0085 121 THR o N +44273 C CA . THR EA 119 ? 0.7532 0.6590 0.6196 0.0992 -0.0443 0.0086 121 THR o CA +44274 C C . THR EA 119 ? 0.8047 0.7128 0.6710 0.1041 -0.0475 0.0080 121 THR o C +44275 O O . THR EA 119 ? 0.7718 0.6858 0.6426 0.1030 -0.0493 0.0078 121 THR o O +44276 C CB . THR EA 119 ? 0.6934 0.5866 0.5503 0.0969 -0.0437 0.0101 121 THR o CB +44277 O OG1 . THR EA 119 ? 0.7659 0.6504 0.6147 0.1014 -0.0440 0.0102 121 THR o OG1 +44278 C CG2 . THR EA 119 ? 0.6427 0.5336 0.4974 0.0951 -0.0455 0.0109 121 THR o CG2 +44279 N N . VAL EA 120 ? 0.7328 0.6363 0.5940 0.1096 -0.0484 0.0077 122 VAL o N +44280 C CA . VAL EA 120 ? 0.7872 0.6897 0.6456 0.1148 -0.0516 0.0074 122 VAL o CA +44281 C C . VAL EA 120 ? 0.8706 0.7596 0.7174 0.1178 -0.0519 0.0083 122 VAL o C +44282 O O . VAL EA 120 ? 0.8193 0.7064 0.6628 0.1236 -0.0538 0.0078 122 VAL o O +44283 C CB . VAL EA 120 ? 0.7119 0.6244 0.5771 0.1198 -0.0528 0.0057 122 VAL o CB +44284 C CG1 . VAL EA 120 ? 0.7173 0.6429 0.5937 0.1171 -0.0529 0.0047 122 VAL o CG1 +44285 C CG2 . VAL EA 120 ? 0.8859 0.7971 0.7502 0.1224 -0.0506 0.0051 122 VAL o CG2 +44286 N N . LYS EA 121 ? 0.7470 0.6268 0.5876 0.1137 -0.0500 0.0096 123 LYS o N +44287 C CA . LYS EA 121 ? 0.8482 0.7147 0.6777 0.1158 -0.0499 0.0105 123 LYS o CA +44288 C C . LYS EA 121 ? 0.8649 0.7261 0.6883 0.1197 -0.0529 0.0110 123 LYS o C +44289 O O . LYS EA 121 ? 0.8707 0.7333 0.6948 0.1178 -0.0543 0.0114 123 LYS o O +44290 C CB . LYS EA 121 ? 0.7391 0.5976 0.5641 0.1100 -0.0475 0.0118 123 LYS o CB +44291 C CG . LYS EA 121 ? 0.8419 0.7002 0.6681 0.1078 -0.0446 0.0116 123 LYS o CG +44292 C CD . LYS EA 121 ? 0.8880 0.7372 0.7086 0.1026 -0.0426 0.0128 123 LYS o CD +44293 C CE . LYS EA 121 ? 0.8376 0.6862 0.6590 0.1007 -0.0399 0.0124 123 LYS o CE +44294 N NZ . LYS EA 121 ? 0.7785 0.6234 0.5960 0.1059 -0.0398 0.0117 123 LYS o NZ +44295 N N . ASN EA 122 ? 0.9261 0.7809 0.7430 0.1253 -0.0538 0.0108 124 ASN o N +44296 C CA . ASN EA 122 ? 0.8740 0.7230 0.6841 0.1298 -0.0567 0.0112 124 ASN o CA +44297 C C . ASN EA 122 ? 0.8329 0.6927 0.6501 0.1326 -0.0597 0.0101 124 ASN o C +44298 O O . ASN EA 122 ? 0.8714 0.7286 0.6850 0.1339 -0.0621 0.0106 124 ASN o O +44299 C CB . ASN EA 122 ? 0.8743 0.7130 0.6763 0.1264 -0.0566 0.0129 124 ASN o CB +44300 C CG . ASN EA 122 ? 1.1141 0.9422 0.9093 0.1232 -0.0538 0.0139 124 ASN o CG +44301 O OD1 . ASN EA 122 ? 1.5268 1.3544 1.3234 0.1172 -0.0518 0.0145 124 ASN o OD1 +44302 N ND2 . ASN EA 122 ? 1.1353 0.9551 0.9232 0.1272 -0.0535 0.0139 124 ASN o ND2 +44303 N N . LEU EA 123 ? 0.8640 0.7360 0.6913 0.1334 -0.0594 0.0087 125 LEU o N +44304 C CA . LEU EA 123 ? 0.8496 0.7326 0.6844 0.1358 -0.0622 0.0074 125 LEU o CA +44305 C C . LEU EA 123 ? 0.9656 0.8450 0.7949 0.1429 -0.0655 0.0071 125 LEU o C +44306 O O . LEU EA 123 ? 0.8492 0.7234 0.6736 0.1476 -0.0654 0.0069 125 LEU o O +44307 C CB . LEU EA 123 ? 0.8715 0.7675 0.7175 0.1359 -0.0611 0.0058 125 LEU o CB +44308 C CG . LEU EA 123 ? 0.8965 0.8051 0.7515 0.1382 -0.0638 0.0044 125 LEU o CG +44309 C CD1 . LEU EA 123 ? 0.9039 0.8161 0.7622 0.1334 -0.0647 0.0048 125 LEU o CD1 +44310 C CD2 . LEU EA 123 ? 0.8615 0.7817 0.7264 0.1390 -0.0623 0.0028 125 LEU o CD2 +44311 N N . VAL EA 124 ? 0.8806 0.7622 0.7103 0.1437 -0.0685 0.0071 126 VAL o N +44312 C CA . VAL EA 124 ? 0.9941 0.8760 0.8214 0.1506 -0.0721 0.0064 126 VAL o CA +44313 C C . VAL EA 124 ? 0.8759 0.7720 0.7140 0.1506 -0.0744 0.0049 126 VAL o C +44314 O O . VAL EA 124 ? 0.8673 0.7665 0.7085 0.1460 -0.0746 0.0052 126 VAL o O +44315 C CB . VAL EA 124 ? 1.0327 0.9019 0.8482 0.1520 -0.0739 0.0079 126 VAL o CB +44316 C CG1 . VAL EA 124 ? 0.9330 0.8030 0.7462 0.1593 -0.0780 0.0071 126 VAL o CG1 +44317 C CG2 . VAL EA 124 ? 0.8876 0.7426 0.6925 0.1515 -0.0715 0.0093 126 VAL o CG2 +44318 N N . ALA EA 125 ? 0.9079 0.8129 0.7522 0.1556 -0.0758 0.0031 127 ALA o N +44319 C CA . ALA EA 125 ? 0.9288 0.8483 0.7845 0.1555 -0.0777 0.0015 127 ALA o CA +44320 C C . ALA EA 125 ? 0.9812 0.9048 0.8377 0.1631 -0.0814 0.0000 127 ALA o C +44321 O O . ALA EA 125 ? 1.0050 0.9261 0.8587 0.1683 -0.0813 -0.0004 127 ALA o O +44322 C CB . ALA EA 125 ? 0.8179 0.7483 0.6845 0.1522 -0.0747 0.0004 127 ALA o CB +44323 N N . SER EA 126 ? 0.9147 0.8451 0.7753 0.1638 -0.0847 -0.0008 128 SER o N +44324 C CA . SER EA 126 ? 1.0051 0.9388 0.8657 0.1710 -0.0889 -0.0021 128 SER o CA +44325 C C . SER EA 126 ? 0.9668 0.9171 0.8406 0.1712 -0.0906 -0.0043 128 SER o C +44326 O O . SER EA 126 ? 0.8677 0.8249 0.7486 0.1654 -0.0898 -0.0045 128 SER o O +44327 C CB . SER EA 126 ? 0.8962 0.8204 0.7469 0.1728 -0.0920 -0.0010 128 SER o CB +44328 O OG . SER EA 126 ? 0.9678 0.8766 0.8060 0.1732 -0.0905 0.0010 128 SER o OG +44329 N N . THR EA 127 ? 1.0541 1.0105 0.9311 0.1778 -0.0931 -0.0060 129 THR o N +44330 C CA . THR EA 127 ? 0.9153 0.8874 0.8046 0.1787 -0.0953 -0.0083 129 THR o CA +44331 C C . THR EA 127 ? 0.9407 0.9132 0.8280 0.1807 -0.1000 -0.0087 129 THR o C +44332 O O . THR EA 127 ? 0.9336 0.8942 0.8100 0.1814 -0.1014 -0.0071 129 THR o O +44333 C CB . THR EA 127 ? 1.0445 1.0242 0.9392 0.1848 -0.0956 -0.0102 129 THR o CB +44334 O OG1 . THR EA 127 ? 1.0084 0.9819 0.8953 0.1924 -0.0992 -0.0103 129 THR o OG1 +44335 C CG2 . THR EA 127 ? 0.8898 0.8660 0.7836 0.1837 -0.0911 -0.0096 129 THR o CG2 +44336 N N . GLN EA 128 ? 0.9985 0.9849 0.8965 0.1815 -0.1025 -0.0108 130 GLN o N +44337 C CA . GLN EA 128 ? 1.0024 0.9906 0.8993 0.1849 -0.1076 -0.0117 130 GLN o CA +44338 C C . GLN EA 128 ? 1.1309 1.1141 1.0209 0.1937 -0.1105 -0.0120 130 GLN o C +44339 O O . GLN EA 128 ? 0.9492 0.9302 0.8377 0.1971 -0.1087 -0.0120 130 GLN o O +44340 C CB . GLN EA 128 ? 0.9844 0.9894 0.8952 0.1834 -0.1094 -0.0141 130 GLN o CB +44341 C CG . GLN EA 128 ? 1.2500 1.2680 1.1720 0.1861 -0.1084 -0.0162 130 GLN o CG +44342 C CD . GLN EA 128 ? 1.4312 1.4543 1.3605 0.1799 -0.1033 -0.0161 130 GLN o CD +44343 O OE1 . GLN EA 128 ? 1.0129 1.0266 0.9361 0.1773 -0.0996 -0.0142 130 GLN o OE1 +44344 N NE2 . GLN EA 128 ? 1.2366 1.2745 1.1791 0.1774 -0.1031 -0.0180 130 GLN o NE2 +44345 N N . PRO EA 129 ? 0.9417 0.9223 0.8268 0.1977 -0.1152 -0.0123 131 PRO o N +44346 C CA . PRO EA 129 ? 1.0993 1.0745 0.9773 0.2063 -0.1181 -0.0125 131 PRO o CA +44347 C C . PRO EA 129 ? 0.9182 0.9069 0.8067 0.2114 -0.1194 -0.0152 131 PRO o C +44348 O O . PRO EA 129 ? 1.0370 1.0403 0.9385 0.2088 -0.1192 -0.0170 131 PRO o O +44349 C CB . PRO EA 129 ? 1.0666 1.0376 0.9382 0.2086 -0.1229 -0.0123 131 PRO o CB +44350 C CG . PRO EA 129 ? 0.9987 0.9687 0.8709 0.2007 -0.1216 -0.0113 131 PRO o CG +44351 C CD . PRO EA 129 ? 0.9723 0.9535 0.8569 0.1948 -0.1179 -0.0122 131 PRO o CD +44352 N N . ASN EA 130 ? 1.1336 1.1171 1.0161 0.2188 -0.1206 -0.0153 132 ASN o N +44353 C CA . ASN EA 130 ? 1.3046 1.2995 1.1950 0.2255 -0.1229 -0.0178 132 ASN o CA +44354 C C . ASN EA 130 ? 1.2188 1.2265 1.1222 0.2226 -0.1192 -0.0193 132 ASN o C +44355 O O . ASN EA 130 ? 1.2177 1.2408 1.1338 0.2224 -0.1205 -0.0216 132 ASN o O +44356 C CB . ASN EA 130 ? 1.4064 1.4102 1.3016 0.2282 -0.1284 -0.0197 132 ASN o CB +44357 C CG . ASN EA 130 ? 1.6734 1.6833 1.5711 0.2372 -0.1321 -0.0218 132 ASN o CG +44358 O OD1 . ASN EA 130 ? 1.6488 1.6742 1.5595 0.2384 -0.1326 -0.0243 132 ASN o OD1 +44359 N ND2 . ASN EA 130 ? 1.5886 1.5864 1.4739 0.2438 -0.1346 -0.0207 132 ASN o ND2 +44360 N N . VAL EA 131 ? 1.4484 1.4492 1.3483 0.2202 -0.1145 -0.0179 133 VAL o N +44361 C CA . VAL EA 131 ? 1.3048 1.3156 1.2151 0.2179 -0.1105 -0.0190 133 VAL o CA +44362 C C . VAL EA 131 ? 1.3212 1.3333 1.2312 0.2259 -0.1110 -0.0202 133 VAL o C +44363 O O . VAL EA 131 ? 1.4175 1.4194 1.3196 0.2278 -0.1085 -0.0190 133 VAL o O +44364 C CB . VAL EA 131 ? 1.2070 1.2104 1.1141 0.2109 -0.1053 -0.0170 133 VAL o CB +44365 C CG1 . VAL EA 131 ? 1.2573 1.2713 1.1752 0.2086 -0.1012 -0.0182 133 VAL o CG1 +44366 C CG2 . VAL EA 131 ? 1.2202 1.2217 1.1269 0.2035 -0.1051 -0.0158 133 VAL o CG2 +44367 N N . THR EA 132 ? 1.2219 1.2465 1.1404 0.2310 -0.1145 -0.0228 134 THR o N +44368 C CA . THR EA 132 ? 1.3247 1.3527 1.2448 0.2386 -0.1148 -0.0243 134 THR o CA +44369 C C . THR EA 132 ? 1.3430 1.3764 1.2699 0.2359 -0.1095 -0.0247 134 THR o C +44370 O O . THR EA 132 ? 1.2250 1.2547 1.1485 0.2408 -0.1081 -0.0248 134 THR o O +44371 C CB . THR EA 132 ? 1.2662 1.3086 1.1961 0.2438 -0.1193 -0.0271 134 THR o CB +44372 O OG1 . THR EA 132 ? 1.3399 1.3990 1.2852 0.2394 -0.1175 -0.0291 134 THR o OG1 +44373 C CG2 . THR EA 132 ? 1.5922 1.6322 1.5181 0.2442 -0.1243 -0.0269 134 THR o CG2 +44374 N N . SER EA 133 ? 1.3421 1.3835 1.2780 0.2283 -0.1066 -0.0248 135 SER o N +44375 C CA . SER EA 133 ? 1.2049 1.2529 1.1483 0.2253 -0.1017 -0.0254 135 SER o CA +44376 C C . SER EA 133 ? 1.1325 1.1801 1.0783 0.2157 -0.0983 -0.0240 135 SER o C +44377 O O . SER EA 133 ? 1.1977 1.2502 1.1478 0.2115 -0.1001 -0.0242 135 SER o O +44378 C CB . SER EA 133 ? 0.9871 1.0533 0.9450 0.2282 -0.1025 -0.0284 135 SER o CB +44379 O OG . SER EA 133 ? 1.5846 1.6567 1.5492 0.2258 -0.0976 -0.0289 135 SER o OG +44380 N N . ILE EA 134 ? 1.1509 1.1924 1.0936 0.2124 -0.0935 -0.0227 136 ILE o N +44381 C CA . ILE EA 134 ? 1.0171 1.0595 0.9631 0.2035 -0.0899 -0.0216 136 ILE o CA +44382 C C . ILE EA 134 ? 1.1327 1.1925 1.0941 0.2008 -0.0885 -0.0237 136 ILE o C +44383 O O . ILE EA 134 ? 1.2262 1.2934 1.1937 0.2038 -0.0867 -0.0252 136 ILE o O +44384 C CB . ILE EA 134 ? 0.9800 1.0111 0.9184 0.2010 -0.0854 -0.0197 136 ILE o CB +44385 C CG1 . ILE EA 134 ? 1.1410 1.1547 1.0642 0.2032 -0.0867 -0.0175 136 ILE o CG1 +44386 C CG2 . ILE EA 134 ? 1.1303 1.1630 1.0726 0.1921 -0.0818 -0.0186 136 ILE o CG2 +44387 C CD1 . ILE EA 134 ? 1.0382 1.0405 0.9534 0.2020 -0.0826 -0.0160 136 ILE o CD1 +44388 N N . THR EA 135 ? 1.0507 1.1170 1.0183 0.1952 -0.0893 -0.0239 137 THR o N +44389 C CA . THR EA 135 ? 1.0933 1.1760 1.0755 0.1921 -0.0884 -0.0259 137 THR o CA +44390 C C . THR EA 135 ? 1.0554 1.1382 1.0401 0.1830 -0.0856 -0.0247 137 THR o C +44391 O O . THR EA 135 ? 1.0459 1.1167 1.0216 0.1794 -0.0846 -0.0224 137 THR o O +44392 C CB . THR EA 135 ? 1.1142 1.2071 1.1029 0.1955 -0.0934 -0.0280 137 THR o CB +44393 O OG1 . THR EA 135 ? 1.1670 1.2526 1.1491 0.1935 -0.0966 -0.0268 137 THR o OG1 +44394 C CG2 . THR EA 135 ? 1.2287 1.3224 1.2156 0.2047 -0.0962 -0.0294 137 THR o CG2 +44395 N N . THR EA 136 ? 0.9151 1.0119 0.9126 0.1793 -0.0845 -0.0263 138 THR o N +44396 C CA . THR EA 136 ? 1.0135 1.1113 1.0141 0.1708 -0.0820 -0.0254 138 THR o CA +44397 C C . THR EA 136 ? 0.9880 1.0830 0.9860 0.1680 -0.0856 -0.0248 138 THR o C +44398 O O . THR EA 136 ? 1.0512 1.1468 1.0515 0.1610 -0.0840 -0.0240 138 THR o O +44399 C CB . THR EA 136 ? 0.9674 1.0806 0.9821 0.1675 -0.0795 -0.0272 138 THR o CB +44400 O OG1 . THR EA 136 ? 1.1790 1.3042 1.2026 0.1689 -0.0833 -0.0295 138 THR o OG1 +44401 C CG2 . THR EA 136 ? 0.9246 1.0417 0.9423 0.1713 -0.0765 -0.0281 138 THR o CG2 +44402 N N . SER EA 137 ? 1.1186 1.2106 1.1118 0.1733 -0.0903 -0.0252 139 SER o N +44403 C CA . SER EA 137 ? 1.2616 1.3483 1.2498 0.1713 -0.0937 -0.0243 139 SER o CA +44404 C C . SER EA 137 ? 1.1695 1.2388 1.1428 0.1721 -0.0937 -0.0217 139 SER o C +44405 O O . SER EA 137 ? 1.0701 1.1330 1.0378 0.1700 -0.0959 -0.0207 139 SER o O +44406 C CB . SER EA 137 ? 1.0604 1.1543 1.0521 0.1766 -0.0992 -0.0264 139 SER o CB +44407 O OG . SER EA 137 ? 1.4543 1.5645 1.4600 0.1748 -0.0995 -0.0288 139 SER o OG +44408 N N . THR EA 138 ? 1.0752 1.1367 1.0421 0.1750 -0.0913 -0.0207 140 THR o N +44409 C CA . THR EA 138 ? 0.9549 0.9998 0.9077 0.1758 -0.0912 -0.0183 140 THR o CA +44410 C C . THR EA 138 ? 1.2069 1.2451 1.1566 0.1679 -0.0878 -0.0163 140 THR o C +44411 O O . THR EA 138 ? 1.0813 1.1244 1.0371 0.1633 -0.0840 -0.0163 140 THR o O +44412 C CB . THR EA 138 ? 1.0166 1.0555 0.9639 0.1812 -0.0896 -0.0181 140 THR o CB +44413 O OG1 . THR EA 138 ? 1.1787 1.2266 1.1315 0.1881 -0.0923 -0.0203 140 THR o OG1 +44414 C CG2 . THR EA 138 ? 1.1583 1.1801 1.0906 0.1834 -0.0905 -0.0159 140 THR o CG2 +44415 N N . ASP EA 139 ? 1.0087 1.0360 0.9490 0.1664 -0.0893 -0.0146 141 ASP o N +44416 C CA . ASP EA 139 ? 0.9331 0.9532 0.8696 0.1593 -0.0865 -0.0126 141 ASP o CA +44417 C C . ASP EA 139 ? 0.9590 0.9626 0.8813 0.1607 -0.0863 -0.0104 141 ASP o C +44418 O O . ASP EA 139 ? 1.1170 1.1146 1.0322 0.1656 -0.0897 -0.0102 141 ASP o O +44419 C CB . ASP EA 139 ? 0.9100 0.9341 0.8500 0.1546 -0.0883 -0.0127 141 ASP o CB +44420 C CG . ASP EA 139 ? 1.2756 1.3153 1.2295 0.1517 -0.0880 -0.0147 141 ASP o CG +44421 O OD1 . ASP EA 139 ? 1.4773 1.5231 1.4355 0.1509 -0.0911 -0.0157 141 ASP o OD1 +44422 O OD2 . ASP EA 139 ? 1.2021 1.2479 1.1625 0.1502 -0.0845 -0.0152 141 ASP o OD2 +44423 N N . PHE EA 140 ? 0.9548 0.9511 0.8731 0.1562 -0.0825 -0.0087 142 PHE o N +44424 C CA . PHE EA 140 ? 0.9953 0.9761 0.9008 0.1559 -0.0819 -0.0065 142 PHE o CA +44425 C C . PHE EA 140 ? 0.9379 0.9151 0.8417 0.1491 -0.0813 -0.0052 142 PHE o C +44426 O O . PHE EA 140 ? 1.0492 1.0341 0.9611 0.1437 -0.0795 -0.0055 142 PHE o O +44427 C CB . PHE EA 140 ? 0.7813 0.7553 0.6824 0.1559 -0.0781 -0.0056 142 PHE o CB +44428 C CG . PHE EA 140 ? 0.8687 0.8434 0.7690 0.1630 -0.0787 -0.0067 142 PHE o CG +44429 C CD1 . PHE EA 140 ? 0.8620 0.8496 0.7729 0.1650 -0.0782 -0.0087 142 PHE o CD1 +44430 C CD2 . PHE EA 140 ? 0.9657 0.9280 0.8546 0.1677 -0.0796 -0.0057 142 PHE o CD2 +44431 C CE1 . PHE EA 140 ? 0.8766 0.8650 0.7868 0.1717 -0.0787 -0.0098 142 PHE o CE1 +44432 C CE2 . PHE EA 140 ? 0.9332 0.8957 0.8210 0.1744 -0.0801 -0.0067 142 PHE o CE2 +44433 C CZ . PHE EA 140 ? 0.9695 0.9452 0.8680 0.1765 -0.0797 -0.0088 142 PHE o CZ +44434 N N . LYS EA 141 ? 0.9046 0.8703 0.7980 0.1496 -0.0828 -0.0037 143 LYS o N +44435 C CA . LYS EA 141 ? 0.9159 0.8756 0.8056 0.1435 -0.0818 -0.0021 143 LYS o CA +44436 C C . LYS EA 141 ? 0.8343 0.7784 0.7112 0.1439 -0.0806 0.0000 143 LYS o C +44437 O O . LYS EA 141 ? 1.0268 0.9640 0.8962 0.1495 -0.0825 0.0002 143 LYS o O +44438 C CB . LYS EA 141 ? 0.9308 0.8933 0.8213 0.1430 -0.0854 -0.0025 143 LYS o CB +44439 C CG . LYS EA 141 ? 1.1509 1.1279 1.0540 0.1404 -0.0860 -0.0042 143 LYS o CG +44440 C CD . LYS EA 141 ? 1.3671 1.3458 1.2701 0.1400 -0.0897 -0.0046 143 LYS o CD +44441 C CE . LYS EA 141 ? 1.5780 1.5706 1.4934 0.1365 -0.0901 -0.0063 143 LYS o CE +44442 N NZ . LYS EA 141 ? 1.4268 1.4304 1.3517 0.1389 -0.0893 -0.0081 143 LYS o NZ +44443 N N . GLY EA 142 ? 0.8990 0.8376 0.7734 0.1381 -0.0774 0.0014 144 GLY o N +44444 C CA . GLY EA 142 ? 0.8341 0.7583 0.6969 0.1382 -0.0760 0.0032 144 GLY o CA +44445 C C . GLY EA 142 ? 0.8162 0.7346 0.6762 0.1314 -0.0734 0.0048 144 GLY o C +44446 O O . GLY EA 142 ? 0.8477 0.7730 0.7147 0.1264 -0.0725 0.0046 144 GLY o O +44447 N N . GLU EA 143 ? 0.8714 0.7767 0.7209 0.1313 -0.0721 0.0064 145 GLU o N +44448 C CA . GLU EA 143 ? 0.9919 0.8902 0.8375 0.1252 -0.0695 0.0080 145 GLU o CA +44449 C C . GLU EA 143 ? 0.9275 0.8183 0.7684 0.1248 -0.0664 0.0087 145 GLU o C +44450 O O . GLU EA 143 ? 0.8708 0.7581 0.7079 0.1298 -0.0667 0.0084 145 GLU o O +44451 C CB . GLU EA 143 ? 0.7945 0.6831 0.6310 0.1248 -0.0710 0.0093 145 GLU o CB +44452 C CG . GLU EA 143 ? 1.3621 1.2570 1.2029 0.1233 -0.0734 0.0089 145 GLU o CG +44453 C CD . GLU EA 143 ? 1.3464 1.2310 1.1776 0.1225 -0.0745 0.0103 145 GLU o CD +44454 O OE1 . GLU EA 143 ? 1.2771 1.1503 1.0982 0.1252 -0.0744 0.0114 145 GLU o OE1 +44455 O OE2 . GLU EA 143 ? 1.5121 1.3998 1.3458 0.1191 -0.0752 0.0104 145 GLU o OE2 +44456 N N . PHE EA 144 ? 0.8070 0.6949 0.6476 0.1188 -0.0634 0.0097 146 PHE o N +44457 C CA . PHE EA 144 ? 0.7929 0.6735 0.6290 0.1177 -0.0604 0.0104 146 PHE o CA +44458 C C . PHE EA 144 ? 0.7519 0.6251 0.5836 0.1117 -0.0584 0.0119 146 PHE o C +44459 O O . PHE EA 144 ? 0.8732 0.7484 0.7067 0.1083 -0.0590 0.0123 146 PHE o O +44460 C CB . PHE EA 144 ? 0.7046 0.5939 0.5491 0.1170 -0.0584 0.0093 146 PHE o CB +44461 C CG . PHE EA 144 ? 0.7782 0.6784 0.6329 0.1122 -0.0576 0.0087 146 PHE o CG +44462 C CD1 . PHE EA 144 ? 0.6996 0.5982 0.5550 0.1061 -0.0550 0.0096 146 PHE o CD1 +44463 C CD2 . PHE EA 144 ? 0.7504 0.6622 0.6136 0.1138 -0.0596 0.0074 146 PHE o CD2 +44464 C CE1 . PHE EA 144 ? 0.7620 0.6700 0.6263 0.1017 -0.0543 0.0091 146 PHE o CE1 +44465 C CE2 . PHE EA 144 ? 0.7565 0.6775 0.6285 0.1093 -0.0588 0.0069 146 PHE o CE2 +44466 C CZ . PHE EA 144 ? 0.7331 0.6521 0.6055 0.1033 -0.0562 0.0078 146 PHE o CZ +44467 N N . ASN EA 145 ? 0.8594 0.7243 0.6856 0.1104 -0.0559 0.0127 147 ASN o N +44468 C CA . ASN EA 145 ? 0.9985 0.8561 0.8205 0.1049 -0.0538 0.0140 147 ASN o CA +44469 C C . ASN EA 145 ? 0.9834 0.8472 0.8126 0.0998 -0.0511 0.0137 147 ASN o C +44470 O O . ASN EA 145 ? 0.8129 0.6816 0.6466 0.1009 -0.0500 0.0129 147 ASN o O +44471 C CB . ASN EA 145 ? 1.0016 0.8457 0.8127 0.1060 -0.0527 0.0150 147 ASN o CB +44472 C CG . ASN EA 145 ? 0.9166 0.7527 0.7191 0.1105 -0.0551 0.0156 147 ASN o CG +44473 O OD1 . ASN EA 145 ? 1.0136 0.8516 0.8163 0.1109 -0.0572 0.0157 147 ASN o OD1 +44474 N ND2 . ASN EA 145 ? 1.1185 0.9455 0.9132 0.1139 -0.0548 0.0159 147 ASN o ND2 +44475 N N . VAL EA 146 ? 0.9106 0.7736 0.7404 0.0943 -0.0500 0.0145 148 VAL o N +44476 C CA . VAL EA 146 ? 0.8943 0.7616 0.7298 0.0892 -0.0474 0.0145 148 VAL o CA +44477 C C . VAL EA 146 ? 0.7164 0.5738 0.5453 0.0851 -0.0454 0.0157 148 VAL o C +44478 O O . VAL EA 146 ? 0.8009 0.6562 0.6285 0.0815 -0.0454 0.0165 148 VAL o O +44479 C CB . VAL EA 146 ? 0.7512 0.6290 0.5956 0.0861 -0.0480 0.0140 148 VAL o CB +44480 C CG1 . VAL EA 146 ? 0.8264 0.7085 0.6764 0.0811 -0.0453 0.0139 148 VAL o CG1 +44481 C CG2 . VAL EA 146 ? 0.8302 0.7177 0.6810 0.0902 -0.0501 0.0127 148 VAL o CG2 +44482 N N . PRO EA 147 ? 0.7869 0.6379 0.6113 0.0853 -0.0436 0.0159 149 PRO o N +44483 C CA . PRO EA 147 ? 0.7907 0.6330 0.6096 0.0810 -0.0416 0.0169 149 PRO o CA +44484 C C . PRO EA 147 ? 0.8681 0.7160 0.6935 0.0753 -0.0398 0.0169 149 PRO o C +44485 O O . PRO EA 147 ? 0.7892 0.6473 0.6231 0.0746 -0.0397 0.0161 149 PRO o O +44486 C CB . PRO EA 147 ? 0.7485 0.5836 0.5618 0.0835 -0.0405 0.0168 149 PRO o CB +44487 C CG . PRO EA 147 ? 0.8507 0.6942 0.6700 0.0871 -0.0409 0.0156 149 PRO o CG +44488 C CD . PRO EA 147 ? 0.7143 0.5669 0.5397 0.0891 -0.0432 0.0150 149 PRO o CD +44489 N N . SER EA 148 ? 0.7933 0.6345 0.6145 0.0711 -0.0382 0.0178 150 SER o N +44490 C CA . SER EA 148 ? 0.7754 0.6202 0.6015 0.0657 -0.0363 0.0178 150 SER o CA +44491 C C . SER EA 148 ? 0.7588 0.6090 0.5900 0.0658 -0.0350 0.0170 150 SER o C +44492 O O . SER EA 148 ? 0.7405 0.5866 0.5681 0.0685 -0.0345 0.0167 150 SER o O +44493 C CB . SER EA 148 ? 0.7383 0.5735 0.5579 0.0621 -0.0348 0.0188 150 SER o CB +44494 O OG . SER EA 148 ? 0.8232 0.6608 0.6466 0.0573 -0.0329 0.0187 150 SER o OG +44495 N N . TYR EA 149 ? 0.7885 0.6477 0.6277 0.0630 -0.0345 0.0166 151 TYR o N +44496 C CA . TYR EA 149 ? 0.7258 0.5909 0.5704 0.0626 -0.0331 0.0158 151 TYR o CA +44497 C C . TYR EA 149 ? 0.7232 0.5817 0.5636 0.0608 -0.0312 0.0160 151 TYR o C +44498 O O . TYR EA 149 ? 0.7317 0.5904 0.5720 0.0630 -0.0304 0.0153 151 TYR o O +44499 C CB . TYR EA 149 ? 0.7317 0.6059 0.5846 0.0589 -0.0327 0.0156 151 TYR o CB +44500 C CG . TYR EA 149 ? 0.7024 0.5831 0.5612 0.0575 -0.0312 0.0150 151 TYR o CG +44501 C CD1 . TYR EA 149 ? 0.7339 0.6225 0.5982 0.0605 -0.0315 0.0141 151 TYR o CD1 +44502 C CD2 . TYR EA 149 ? 0.7448 0.6240 0.6039 0.0533 -0.0293 0.0153 151 TYR o CD2 +44503 C CE1 . TYR EA 149 ? 0.7277 0.6222 0.5974 0.0591 -0.0299 0.0136 151 TYR o CE1 +44504 C CE2 . TYR EA 149 ? 0.7907 0.6757 0.6550 0.0520 -0.0279 0.0148 151 TYR o CE2 +44505 C CZ . TYR EA 149 ? 0.7885 0.6810 0.6579 0.0549 -0.0281 0.0139 151 TYR o CZ +44506 O OH . TYR EA 149 ? 0.7345 0.6325 0.6088 0.0537 -0.0266 0.0135 151 TYR o OH +44507 N N A ARG EA 150 ? 0.7183 0.5711 0.5553 0.0568 -0.0302 0.0167 152 ARG o N +44508 N N B ARG EA 150 ? 0.7177 0.5701 0.5543 0.0569 -0.0303 0.0167 152 ARG o N +44509 C CA A ARG EA 150 ? 0.7369 0.5816 0.5683 0.0554 -0.0287 0.0168 152 ARG o CA +44510 C CA B ARG EA 150 ? 0.7371 0.5816 0.5683 0.0554 -0.0287 0.0169 152 ARG o CA +44511 C C A ARG EA 150 ? 0.7784 0.6127 0.6009 0.0574 -0.0293 0.0174 152 ARG o C +44512 C C B ARG EA 150 ? 0.7789 0.6130 0.6012 0.0574 -0.0293 0.0175 152 ARG o C +44513 O O A ARG EA 150 ? 0.8200 0.6527 0.6405 0.0578 -0.0305 0.0180 152 ARG o O +44514 O O B ARG EA 150 ? 0.8224 0.6547 0.6426 0.0578 -0.0305 0.0181 152 ARG o O +44515 C CB A ARG EA 150 ? 0.7594 0.6037 0.5922 0.0497 -0.0273 0.0172 152 ARG o CB +44516 C CB B ARG EA 150 ? 0.7597 0.6039 0.5925 0.0498 -0.0273 0.0172 152 ARG o CB +44517 C CG A ARG EA 150 ? 0.7584 0.6126 0.5999 0.0470 -0.0269 0.0169 152 ARG o CG +44518 C CG B ARG EA 150 ? 0.7593 0.6134 0.6006 0.0471 -0.0269 0.0169 152 ARG o CG +44519 C CD A ARG EA 150 ? 0.7352 0.5942 0.5805 0.0479 -0.0259 0.0161 152 ARG o CD +44520 C CD B ARG EA 150 ? 0.7353 0.5942 0.5805 0.0479 -0.0259 0.0161 152 ARG o CD +44521 N NE A ARG EA 150 ? 0.7814 0.6480 0.6337 0.0444 -0.0252 0.0160 152 ARG o NE +44522 N NE B ARG EA 150 ? 0.7844 0.6506 0.6364 0.0443 -0.0252 0.0160 152 ARG o NE +44523 C CZ A ARG EA 150 ? 0.7060 0.5775 0.5624 0.0439 -0.0241 0.0155 152 ARG o CZ +44524 C CZ B ARG EA 150 ? 0.7061 0.5776 0.5625 0.0440 -0.0241 0.0155 152 ARG o CZ +44525 N NH1 A ARG EA 150 ? 0.6460 0.5170 0.5013 0.0469 -0.0236 0.0148 152 ARG o NH1 +44526 N NH1 B ARG EA 150 ? 0.6448 0.5158 0.5000 0.0471 -0.0237 0.0148 152 ARG o NH1 +44527 N NH2 A ARG EA 150 ? 0.6509 0.5278 0.5126 0.0403 -0.0234 0.0155 152 ARG o NH2 +44528 N NH2 B ARG EA 150 ? 0.6507 0.5278 0.5125 0.0405 -0.0235 0.0155 152 ARG o NH2 +44529 N N . THR EA 151 ? 0.7724 0.5993 0.5891 0.0586 -0.0285 0.0173 153 THR o N +44530 C CA . THR EA 151 ? 0.7804 0.5963 0.5879 0.0601 -0.0288 0.0179 153 THR o CA +44531 C C . THR EA 151 ? 0.8106 0.6195 0.6142 0.0552 -0.0272 0.0184 153 THR o C +44532 O O . THR EA 151 ? 0.8218 0.6348 0.6300 0.0509 -0.0262 0.0183 153 THR o O +44533 C CB . THR EA 151 ? 0.7325 0.5440 0.5355 0.0649 -0.0290 0.0173 153 THR o CB +44534 O OG1 . THR EA 151 ? 0.7808 0.5891 0.5824 0.0632 -0.0272 0.0169 153 THR o OG1 +44535 C CG2 . THR EA 151 ? 0.7339 0.5545 0.5428 0.0692 -0.0302 0.0166 153 THR o CG2 +44536 N N . ALA EA 152 ? 0.7667 0.5650 0.5617 0.0559 -0.0271 0.0190 154 ALA o N +44537 C CA . ALA EA 152 ? 0.8237 0.6157 0.6149 0.0513 -0.0260 0.0198 154 ALA o CA +44538 C C . ALA EA 152 ? 0.8228 0.6137 0.6151 0.0470 -0.0242 0.0193 154 ALA o C +44539 O O . ALA EA 152 ? 0.7996 0.5889 0.5919 0.0424 -0.0232 0.0197 154 ALA o O +44540 C CB . ALA EA 152 ? 0.7363 0.5166 0.5176 0.0532 -0.0262 0.0205 154 ALA o CB +44541 N N A ASN EA 153 ? 0.7670 0.5590 0.5602 0.0484 -0.0237 0.0185 155 ASN o N +44542 N N B ASN EA 153 ? 0.7672 0.5588 0.5601 0.0484 -0.0237 0.0185 155 ASN o N +44543 C CA A ASN EA 153 ? 0.7952 0.5856 0.5888 0.0446 -0.0222 0.0180 155 ASN o CA +44544 C CA B ASN EA 153 ? 0.7948 0.5850 0.5881 0.0448 -0.0222 0.0180 155 ASN o CA +44545 C C A ASN EA 153 ? 0.8273 0.6275 0.6295 0.0413 -0.0218 0.0176 155 ASN o C +44546 C C B ASN EA 153 ? 0.8295 0.6294 0.6313 0.0414 -0.0217 0.0176 155 ASN o C +44547 O O A ASN EA 153 ? 0.7823 0.5816 0.5851 0.0376 -0.0206 0.0173 155 ASN o O +44548 O O B ASN EA 153 ? 0.7828 0.5818 0.5853 0.0377 -0.0206 0.0173 155 ASN o O +44549 C CB A ASN EA 153 ? 0.8166 0.6037 0.6072 0.0474 -0.0218 0.0172 155 ASN o CB +44550 C CB B ASN EA 153 ? 0.8160 0.6028 0.6062 0.0478 -0.0219 0.0171 155 ASN o CB +44551 C CG A ASN EA 153 ? 0.8765 0.6514 0.6574 0.0485 -0.0215 0.0174 155 ASN o CG +44552 C CG B ASN EA 153 ? 0.8787 0.6533 0.6593 0.0487 -0.0215 0.0173 155 ASN o CG +44553 O OD1 A ASN EA 153 ? 0.8568 0.6255 0.6330 0.0473 -0.0215 0.0182 155 ASN o OD1 +44554 O OD1 B ASN EA 153 ? 0.8568 0.6251 0.6327 0.0474 -0.0215 0.0182 155 ASN o OD1 +44555 N ND2 A ASN EA 153 ? 0.8283 0.5993 0.6059 0.0509 -0.0212 0.0166 155 ASN o ND2 +44556 N ND2 B ASN EA 153 ? 0.8274 0.5981 0.6047 0.0510 -0.0211 0.0166 155 ASN o ND2 +44557 N N A PHE EA 154 ? 0.7604 0.5695 0.5689 0.0426 -0.0227 0.0177 156 PHE o N +44558 N N B PHE EA 154 ? 0.7611 0.5700 0.5694 0.0427 -0.0227 0.0176 156 PHE o N +44559 C CA A PHE EA 154 ? 0.7548 0.5733 0.5713 0.0401 -0.0223 0.0173 156 PHE o CA +44560 C CA B PHE EA 154 ? 0.7544 0.5727 0.5707 0.0402 -0.0223 0.0173 156 PHE o CA +44561 C C A PHE EA 154 ? 0.8081 0.6266 0.6262 0.0347 -0.0215 0.0177 156 PHE o C +44562 C C B PHE EA 154 ? 0.8106 0.6287 0.6284 0.0348 -0.0215 0.0177 156 PHE o C +44563 O O A PHE EA 154 ? 0.7872 0.6036 0.6038 0.0335 -0.0218 0.0184 156 PHE o O +44564 O O B PHE EA 154 ? 0.7890 0.6052 0.6055 0.0334 -0.0218 0.0184 156 PHE o O +44565 C CB A PHE EA 154 ? 0.7020 0.5294 0.5245 0.0425 -0.0235 0.0173 156 PHE o CB +44566 C CB B PHE EA 154 ? 0.7003 0.5274 0.5226 0.0425 -0.0235 0.0173 156 PHE o CB +44567 C CG A PHE EA 154 ? 0.8642 0.7011 0.6948 0.0403 -0.0231 0.0169 156 PHE o CG +44568 C CG B PHE EA 154 ? 0.8682 0.7049 0.6987 0.0403 -0.0231 0.0170 156 PHE o CG +44569 C CD1 A PHE EA 154 ? 0.7503 0.5917 0.5841 0.0418 -0.0226 0.0162 156 PHE o CD1 +44570 C CD1 B PHE EA 154 ? 0.7505 0.5920 0.5844 0.0419 -0.0226 0.0162 156 PHE o CD1 +44571 C CD2 A PHE EA 154 ? 0.7512 0.5923 0.5860 0.0368 -0.0231 0.0174 156 PHE o CD2 +44572 C CD2 B PHE EA 154 ? 0.7502 0.5911 0.5848 0.0367 -0.0231 0.0174 156 PHE o CD2 +44573 C CE1 A PHE EA 154 ? 0.7381 0.5878 0.5790 0.0398 -0.0221 0.0159 156 PHE o CE1 +44574 C CE1 B PHE EA 154 ? 0.7379 0.5877 0.5788 0.0398 -0.0221 0.0159 156 PHE o CE1 +44575 C CE2 A PHE EA 154 ? 0.7339 0.5834 0.5759 0.0348 -0.0227 0.0171 156 PHE o CE2 +44576 C CE2 B PHE EA 154 ? 0.7344 0.5836 0.5762 0.0347 -0.0227 0.0171 156 PHE o CE2 +44577 C CZ A PHE EA 154 ? 0.6918 0.5454 0.5367 0.0363 -0.0222 0.0164 156 PHE o CZ +44578 C CZ B PHE EA 154 ? 0.6905 0.5440 0.5353 0.0363 -0.0222 0.0164 156 PHE o CZ +44579 N N A LEU EA 155 ? 0.7129 0.5336 0.5339 0.0317 -0.0205 0.0172 157 LEU o N +44580 N N B LEU EA 155 ? 0.7101 0.5305 0.5308 0.0319 -0.0205 0.0171 157 LEU o N +44581 C CA A LEU EA 155 ? 0.7757 0.5970 0.5986 0.0267 -0.0197 0.0174 157 LEU o CA +44582 C CA B LEU EA 155 ? 0.7771 0.5980 0.5997 0.0268 -0.0197 0.0173 157 LEU o CA +44583 C C A LEU EA 155 ? 0.7743 0.6056 0.6054 0.0252 -0.0199 0.0173 157 LEU o C +44584 C C B LEU EA 155 ? 0.7775 0.6085 0.6083 0.0253 -0.0199 0.0173 157 LEU o C +44585 O O A LEU EA 155 ? 0.7410 0.5778 0.5761 0.0263 -0.0198 0.0168 157 LEU o O +44586 O O B LEU EA 155 ? 0.7430 0.5796 0.5778 0.0265 -0.0198 0.0167 157 LEU o O +44587 C CB A LEU EA 155 ? 0.7303 0.5470 0.5507 0.0243 -0.0187 0.0168 157 LEU o CB +44588 C CB B LEU EA 155 ? 0.7297 0.5461 0.5498 0.0245 -0.0186 0.0167 157 LEU o CB +44589 C CG A LEU EA 155 ? 0.8541 0.6602 0.6662 0.0251 -0.0183 0.0167 157 LEU o CG +44590 C CG B LEU EA 155 ? 0.8589 0.6647 0.6708 0.0251 -0.0182 0.0167 157 LEU o CG +44591 C CD1 A LEU EA 155 ? 0.7289 0.5314 0.5392 0.0226 -0.0173 0.0159 157 LEU o CD1 +44592 C CD1 B LEU EA 155 ? 0.7272 0.5296 0.5376 0.0223 -0.0173 0.0159 157 LEU o CD1 +44593 C CD2 A LEU EA 155 ? 0.7734 0.5740 0.5817 0.0234 -0.0182 0.0175 157 LEU o CD2 +44594 C CD2 B LEU EA 155 ? 0.7732 0.5737 0.5813 0.0235 -0.0182 0.0175 157 LEU o CD2 +44595 N N A ASP EA 156 ? 0.7237 0.5570 0.5571 0.0224 -0.0200 0.0179 158 ASP o N +44596 N N B ASP EA 156 ? 0.7251 0.5580 0.5581 0.0226 -0.0200 0.0178 158 ASP o N +44597 C CA A ASP EA 156 ? 0.7338 0.5760 0.5745 0.0207 -0.0201 0.0178 158 ASP o CA +44598 C CA B ASP EA 156 ? 0.7348 0.5765 0.5751 0.0208 -0.0201 0.0178 158 ASP o CA +44599 C C A ASP EA 156 ? 0.7304 0.5741 0.5736 0.0172 -0.0191 0.0174 158 ASP o C +44600 C C B ASP EA 156 ? 0.7323 0.5757 0.5753 0.0173 -0.0191 0.0173 158 ASP o C +44601 O O A ASP EA 156 ? 0.6793 0.5172 0.5185 0.0161 -0.0184 0.0170 158 ASP o O +44602 O O B ASP EA 156 ? 0.6774 0.5151 0.5165 0.0161 -0.0184 0.0170 158 ASP o O +44603 C CB A ASP EA 156 ? 0.6753 0.5187 0.5171 0.0195 -0.0206 0.0185 158 ASP o CB +44604 C CB B ASP EA 156 ? 0.6752 0.5181 0.5166 0.0196 -0.0206 0.0185 158 ASP o CB +44605 C CG A ASP EA 156 ? 0.7126 0.5530 0.5534 0.0151 -0.0198 0.0188 158 ASP o CG +44606 C CG B ASP EA 156 ? 0.7138 0.5535 0.5541 0.0152 -0.0197 0.0188 158 ASP o CG +44607 O OD1 A ASP EA 156 ? 0.7156 0.5532 0.5553 0.0127 -0.0188 0.0184 158 ASP o OD1 +44608 O OD1 B ASP EA 156 ? 0.7180 0.5548 0.5571 0.0128 -0.0188 0.0184 158 ASP o OD1 +44609 O OD2 A ASP EA 156 ? 0.7110 0.5518 0.5522 0.0142 -0.0201 0.0194 158 ASP o OD2 +44610 O OD2 B ASP EA 156 ? 0.7137 0.5541 0.5545 0.0142 -0.0200 0.0193 158 ASP o OD2 +44611 N N A PRO EA 157 ? 0.7087 0.5599 0.5582 0.0155 -0.0191 0.0173 159 PRO o N +44612 N N B PRO EA 157 ? 0.7095 0.5605 0.5588 0.0157 -0.0191 0.0173 159 PRO o N +44613 C CA A PRO EA 157 ? 0.7026 0.5555 0.5544 0.0129 -0.0183 0.0168 159 PRO o CA +44614 C CA B PRO EA 157 ? 0.7030 0.5559 0.5548 0.0130 -0.0183 0.0168 159 PRO o CA +44615 C C A PRO EA 157 ? 0.7146 0.5632 0.5643 0.0091 -0.0177 0.0167 159 PRO o C +44616 C C B PRO EA 157 ? 0.7163 0.5647 0.5659 0.0092 -0.0177 0.0167 159 PRO o C +44617 O O A PRO EA 157 ? 0.6570 0.5053 0.5072 0.0072 -0.0172 0.0162 159 PRO o O +44618 O O B PRO EA 157 ? 0.6586 0.5066 0.5085 0.0074 -0.0172 0.0162 159 PRO o O +44619 C CB A PRO EA 157 ? 0.6459 0.5076 0.5047 0.0121 -0.0185 0.0169 159 PRO o CB +44620 C CB B PRO EA 157 ? 0.6446 0.5062 0.5033 0.0121 -0.0186 0.0169 159 PRO o CB +44621 C CG A PRO EA 157 ? 0.6600 0.5250 0.5202 0.0155 -0.0193 0.0171 159 PRO o CG +44622 C CG B PRO EA 157 ? 0.6593 0.5241 0.5194 0.0154 -0.0194 0.0171 159 PRO o CG +44623 C CD A PRO EA 157 ? 0.6922 0.5507 0.5470 0.0166 -0.0198 0.0175 159 PRO o CD +44624 C CD B PRO EA 157 ? 0.6921 0.5505 0.5467 0.0168 -0.0198 0.0175 159 PRO o CD +44625 N N . LYS EA 158 ? 0.6809 0.5259 0.5283 0.0079 -0.0177 0.0173 160 LYS o N +44626 C CA . LYS EA 158 ? 0.7048 0.5453 0.5499 0.0044 -0.0170 0.0172 160 LYS o CA +44627 C C . LYS EA 158 ? 0.7490 0.5804 0.5870 0.0051 -0.0166 0.0172 160 LYS o C +44628 O O . LYS EA 158 ? 0.7054 0.5321 0.5407 0.0023 -0.0159 0.0172 160 LYS o O +44629 C CB . LYS EA 158 ? 0.6393 0.4817 0.4866 0.0022 -0.0169 0.0178 160 LYS o CB +44630 C CG . LYS EA 158 ? 0.7295 0.5804 0.5838 0.0006 -0.0171 0.0177 160 LYS o CG +44631 C CD . LYS EA 158 ? 0.6769 0.5296 0.5337 -0.0017 -0.0167 0.0170 160 LYS o CD +44632 C CE . LYS EA 158 ? 0.6495 0.4971 0.5035 -0.0050 -0.0159 0.0167 160 LYS o CE +44633 N NZ . LYS EA 158 ? 0.6738 0.5236 0.5303 -0.0072 -0.0158 0.0159 160 LYS o NZ +44634 N N A GLY EA 159 ? 0.6260 0.4549 0.4607 0.0088 -0.0170 0.0171 161 GLY o N +44635 N N B GLY EA 159 ? 0.6232 0.4521 0.4580 0.0088 -0.0170 0.0171 161 GLY o N +44636 C CA A GLY EA 159 ? 0.6873 0.5073 0.5149 0.0098 -0.0167 0.0170 161 GLY o CA +44637 C CA B GLY EA 159 ? 0.6867 0.5066 0.5143 0.0098 -0.0167 0.0170 161 GLY o CA +44638 C C A GLY EA 159 ? 0.7670 0.5816 0.5899 0.0109 -0.0169 0.0178 161 GLY o C +44639 C C B GLY EA 159 ? 0.7687 0.5833 0.5917 0.0108 -0.0168 0.0178 161 GLY o C +44640 O O A GLY EA 159 ? 0.7570 0.5633 0.5736 0.0110 -0.0164 0.0178 161 GLY o O +44641 O O B GLY EA 159 ? 0.7569 0.5632 0.5737 0.0104 -0.0163 0.0178 161 GLY o O +44642 N N . ARG EA 160 ? 0.7166 0.5353 0.5421 0.0120 -0.0176 0.0184 162 ARG o N +44643 C CA . ARG EA 160 ? 0.7277 0.5415 0.5486 0.0131 -0.0178 0.0192 162 ARG o CA +44644 C C . ARG EA 160 ? 0.8631 0.6759 0.6815 0.0182 -0.0189 0.0194 162 ARG o C +44645 O O . ARG EA 160 ? 0.7692 0.5887 0.5921 0.0206 -0.0197 0.0191 162 ARG o O +44646 C CB . ARG EA 160 ? 0.7122 0.5308 0.5371 0.0113 -0.0180 0.0198 162 ARG o CB +44647 C CG . ARG EA 160 ? 0.6610 0.4809 0.4885 0.0065 -0.0169 0.0196 162 ARG o CG +44648 C CD . ARG EA 160 ? 0.7358 0.5615 0.5679 0.0052 -0.0172 0.0201 162 ARG o CD +44649 N NE . ARG EA 160 ? 0.7184 0.5527 0.5568 0.0068 -0.0182 0.0198 162 ARG o NE +44650 C CZ . ARG EA 160 ? 0.8080 0.6487 0.6516 0.0055 -0.0184 0.0200 162 ARG o CZ +44651 N NH1 . ARG EA 160 ? 0.7647 0.6048 0.6085 0.0027 -0.0178 0.0203 162 ARG o NH1 +44652 N NH2 . ARG EA 160 ? 0.7345 0.5824 0.5833 0.0070 -0.0192 0.0197 162 ARG o NH2 +44653 N N . GLY EA 161 ? 0.7581 0.5625 0.5693 0.0199 -0.0189 0.0198 163 GLY o N +44654 C CA . GLY EA 161 ? 0.7632 0.5662 0.5715 0.0249 -0.0201 0.0200 163 GLY o CA +44655 C C . GLY EA 161 ? 0.7694 0.5643 0.5705 0.0262 -0.0203 0.0208 163 GLY o C +44656 O O . GLY EA 161 ? 0.7679 0.5585 0.5664 0.0231 -0.0195 0.0213 163 GLY o O +44657 N N . LEU EA 162 ? 0.8258 0.6185 0.6235 0.0311 -0.0215 0.0209 164 LEU o N +44658 C CA . LEU EA 162 ? 0.8383 0.6234 0.6289 0.0332 -0.0220 0.0217 164 LEU o CA +44659 C C . LEU EA 162 ? 0.8780 0.6521 0.6603 0.0334 -0.0211 0.0218 164 LEU o C +44660 O O . LEU EA 162 ? 0.8038 0.5712 0.5817 0.0302 -0.0198 0.0223 164 LEU o O +44661 C CB . LEU EA 162 ? 0.8050 0.5938 0.5965 0.0384 -0.0240 0.0218 164 LEU o CB +44662 C CG . LEU EA 162 ? 0.9119 0.6940 0.6963 0.0417 -0.0251 0.0226 164 LEU o CG +44663 C CD1 . LEU EA 162 ? 0.8474 0.6241 0.6279 0.0385 -0.0242 0.0235 164 LEU o CD1 +44664 C CD2 . LEU EA 162 ? 0.7295 0.5187 0.5177 0.0459 -0.0272 0.0225 164 LEU o CD2 +44665 N N . ALA EA 163 ? 0.7564 0.5285 0.5364 0.0371 -0.0215 0.0213 165 ALA o N +44666 C CA . ALA EA 163 ? 0.8171 0.5786 0.5892 0.0375 -0.0207 0.0212 165 ALA o CA +44667 C C . ALA EA 163 ? 0.8889 0.6493 0.6620 0.0333 -0.0191 0.0205 165 ALA o C +44668 O O . ALA EA 163 ? 0.8899 0.6411 0.6565 0.0325 -0.0182 0.0204 165 ALA o O +44669 C CB . ALA EA 163 ? 0.8111 0.5707 0.5802 0.0432 -0.0218 0.0208 165 ALA o CB +44670 N N . SER EA 164 ? 0.8170 0.5861 0.5980 0.0306 -0.0189 0.0199 166 SER o N +44671 C CA . SER EA 164 ? 0.8137 0.5825 0.5962 0.0265 -0.0176 0.0192 166 SER o CA +44672 C C . SER EA 164 ? 0.8135 0.5909 0.6037 0.0226 -0.0173 0.0192 166 SER o C +44673 O O . SER EA 164 ? 0.8263 0.6103 0.6210 0.0236 -0.0182 0.0196 166 SER o O +44674 C CB . SER EA 164 ? 0.7458 0.5159 0.5291 0.0287 -0.0177 0.0182 166 SER o CB +44675 O OG . SER EA 164 ? 0.9375 0.7057 0.7209 0.0248 -0.0166 0.0175 166 SER o OG +44676 N N . GLY EA 165 ? 0.7906 0.5676 0.5822 0.0182 -0.0162 0.0187 167 GLY o N +44677 C CA . GLY EA 165 ? 0.7714 0.5567 0.5705 0.0148 -0.0160 0.0185 167 GLY o CA +44678 C C . GLY EA 165 ? 0.7084 0.4915 0.5070 0.0104 -0.0150 0.0190 167 GLY o C +44679 O O . GLY EA 165 ? 0.8537 0.6290 0.6462 0.0100 -0.0144 0.0195 167 GLY o O +44680 N N . TYR EA 166 ? 0.7534 0.5437 0.5586 0.0073 -0.0148 0.0187 168 TYR o N +44681 C CA . TYR EA 166 ? 0.8429 0.6331 0.6492 0.0033 -0.0139 0.0191 168 TYR o CA +44682 C C . TYR EA 166 ? 0.8662 0.6570 0.6718 0.0048 -0.0143 0.0201 168 TYR o C +44683 O O . TYR EA 166 ? 0.8058 0.6006 0.6131 0.0084 -0.0156 0.0204 168 TYR o O +44684 C CB . TYR EA 166 ? 0.7539 0.5525 0.5679 0.0002 -0.0137 0.0185 168 TYR o CB +44685 C CG . TYR EA 166 ? 0.8389 0.6380 0.6543 -0.0014 -0.0135 0.0175 168 TYR o CG +44686 C CD1 . TYR EA 166 ? 0.7656 0.5576 0.5766 -0.0038 -0.0125 0.0170 168 TYR o CD1 +44687 C CD2 . TYR EA 166 ? 0.7351 0.5418 0.5561 -0.0005 -0.0142 0.0170 168 TYR o CD2 +44688 C CE1 . TYR EA 166 ? 0.7437 0.5363 0.5559 -0.0052 -0.0125 0.0159 168 TYR o CE1 +44689 C CE2 . TYR EA 166 ? 0.6727 0.4797 0.4946 -0.0018 -0.0140 0.0160 168 TYR o CE2 +44690 C CZ . TYR EA 166 ? 0.8461 0.6462 0.6637 -0.0042 -0.0133 0.0154 168 TYR o CZ +44691 O OH . TYR EA 166 ? 0.7505 0.5512 0.5691 -0.0054 -0.0133 0.0143 168 TYR o OH +44692 N N . ASP EA 167 ? 0.7764 0.5632 0.5795 0.0020 -0.0133 0.0206 169 ASP o N +44693 C CA . ASP EA 167 ? 0.8468 0.6336 0.6487 0.0030 -0.0136 0.0216 169 ASP o CA +44694 C C . ASP EA 167 ? 0.8693 0.6629 0.6773 0.0000 -0.0132 0.0217 169 ASP o C +44695 O O . ASP EA 167 ? 0.9115 0.7045 0.7183 0.0000 -0.0132 0.0224 169 ASP o O +44696 C CB . ASP EA 167 ? 0.7807 0.5570 0.5742 0.0027 -0.0126 0.0223 169 ASP o CB +44697 C CG . ASP EA 167 ? 0.9911 0.7638 0.7836 -0.0025 -0.0106 0.0221 169 ASP o CG +44698 O OD1 . ASP EA 167 ? 0.9470 0.7243 0.7448 -0.0056 -0.0101 0.0213 169 ASP o OD1 +44699 O OD2 . ASP EA 167 ? 1.0437 0.8085 0.8299 -0.0034 -0.0095 0.0228 169 ASP o OD2 +44700 N N . SER EA 168 ? 0.8167 0.6166 0.6309 -0.0023 -0.0131 0.0209 170 SER o N +44701 C CA . SER EA 168 ? 0.8311 0.6372 0.6510 -0.0053 -0.0127 0.0209 170 SER o CA +44702 C C . SER EA 168 ? 0.8603 0.6745 0.6872 -0.0058 -0.0133 0.0201 170 SER o C +44703 O O . SER EA 168 ? 0.7512 0.5655 0.5781 -0.0044 -0.0137 0.0195 170 SER o O +44704 C CB . SER EA 168 ? 0.7965 0.5984 0.6146 -0.0096 -0.0109 0.0208 170 SER o CB +44705 O OG . SER EA 168 ? 0.8934 0.6935 0.7115 -0.0117 -0.0103 0.0199 170 SER o OG +44706 N N . ALA EA 169 ? 0.7372 0.5579 0.5698 -0.0077 -0.0133 0.0201 171 ALA o N +44707 C CA . ALA EA 169 ? 0.6908 0.5193 0.5301 -0.0087 -0.0137 0.0194 171 ALA o CA +44708 C C . ALA EA 169 ? 0.7464 0.5737 0.5866 -0.0125 -0.0126 0.0187 171 ALA o C +44709 O O . ALA EA 169 ? 0.7197 0.5491 0.5625 -0.0155 -0.0119 0.0186 171 ALA o O +44710 C CB . ALA EA 169 ? 0.6533 0.4886 0.4978 -0.0091 -0.0141 0.0197 171 ALA o CB +44711 N N . ILE EA 170 ? 0.6430 0.4671 0.4810 -0.0122 -0.0126 0.0180 172 ILE o N +44712 C CA . ILE EA 170 ? 0.7595 0.5813 0.5973 -0.0158 -0.0117 0.0173 172 ILE o CA +44713 C C . ILE EA 170 ? 0.7866 0.6158 0.6311 -0.0180 -0.0119 0.0166 172 ILE o C +44714 O O . ILE EA 170 ? 0.7526 0.5812 0.5981 -0.0214 -0.0112 0.0159 172 ILE o O +44715 C CB . ILE EA 170 ? 0.7382 0.5542 0.5714 -0.0150 -0.0117 0.0167 172 ILE o CB +44716 C CG1 . ILE EA 170 ? 0.7286 0.5488 0.5643 -0.0124 -0.0128 0.0162 172 ILE o CG1 +44717 C CG2 . ILE EA 170 ? 0.7505 0.5584 0.5765 -0.0128 -0.0114 0.0173 172 ILE o CG2 +44718 C CD1 . ILE EA 170 ? 0.7051 0.5206 0.5373 -0.0123 -0.0127 0.0154 172 ILE o CD1 +44719 N N . ALA EA 171 ? 0.6950 0.5310 0.5441 -0.0163 -0.0129 0.0167 173 ALA o N +44720 C CA . ALA EA 171 ? 0.6865 0.5290 0.5416 -0.0183 -0.0131 0.0161 173 ALA o CA +44721 C C . ALA EA 171 ? 0.7393 0.5851 0.5978 -0.0206 -0.0126 0.0164 173 ALA o C +44722 O O . ALA EA 171 ? 0.7392 0.5899 0.6024 -0.0225 -0.0127 0.0159 173 ALA o O +44723 C CB . ALA EA 171 ? 0.6055 0.4539 0.4643 -0.0158 -0.0142 0.0161 173 ALA o CB +44724 N N . LEU EA 172 ? 0.7215 0.5647 0.5776 -0.0203 -0.0121 0.0171 174 LEU o N +44725 C CA . LEU EA 172 ? 0.7533 0.5990 0.6119 -0.0224 -0.0115 0.0174 174 LEU o CA +44726 C C . LEU EA 172 ? 0.7781 0.6173 0.6322 -0.0244 -0.0101 0.0175 174 LEU o C +44727 O O . LEU EA 172 ? 0.7547 0.5906 0.6053 -0.0235 -0.0097 0.0183 174 LEU o O +44728 C CB . LEU EA 172 ? 0.7400 0.5891 0.6000 -0.0201 -0.0122 0.0182 174 LEU o CB +44729 C CG . LEU EA 172 ? 0.7383 0.5933 0.6021 -0.0177 -0.0135 0.0182 174 LEU o CG +44730 C CD1 . LEU EA 172 ? 0.8511 0.7079 0.7151 -0.0154 -0.0142 0.0189 174 LEU o CD1 +44731 C CD2 . LEU EA 172 ? 0.8468 0.7081 0.7166 -0.0197 -0.0136 0.0176 174 LEU o CD2 +44732 N N . PRO EA 173 ? 0.8096 0.6465 0.6632 -0.0273 -0.0093 0.0167 175 PRO o N +44733 C CA . PRO EA 173 ? 0.7147 0.5441 0.5631 -0.0291 -0.0078 0.0168 175 PRO o CA +44734 C C . PRO EA 173 ? 0.7611 0.5897 0.6088 -0.0306 -0.0066 0.0175 175 PRO o C +44735 O O . PRO EA 173 ? 0.7195 0.5414 0.5616 -0.0306 -0.0056 0.0180 175 PRO o O +44736 C CB . PRO EA 173 ? 0.7070 0.5363 0.5569 -0.0323 -0.0074 0.0156 175 PRO o CB +44737 C CG . PRO EA 173 ? 0.7779 0.6152 0.6344 -0.0324 -0.0085 0.0150 175 PRO o CG +44738 C CD . PRO EA 173 ? 0.7315 0.5721 0.5891 -0.0288 -0.0097 0.0157 175 PRO o CD +44739 N N . GLN EA 174 ? 0.7252 0.5601 0.5782 -0.0317 -0.0065 0.0174 176 GLN o N +44740 C CA . GLN EA 174 ? 0.6861 0.5203 0.5387 -0.0333 -0.0052 0.0179 176 GLN o CA +44741 C C . GLN EA 174 ? 0.7324 0.5705 0.5867 -0.0310 -0.0060 0.0186 176 GLN o C +44742 O O . GLN EA 174 ? 0.8001 0.6400 0.6558 -0.0324 -0.0051 0.0188 176 GLN o O +44743 C CB . GLN EA 174 ? 0.7486 0.5863 0.6057 -0.0372 -0.0041 0.0170 176 GLN o CB +44744 C CG . GLN EA 174 ? 0.7164 0.5488 0.5708 -0.0402 -0.0027 0.0163 176 GLN o CG +44745 C CD . GLN EA 174 ? 0.8759 0.7011 0.7244 -0.0413 -0.0009 0.0170 176 GLN o CD +44746 O OE1 . GLN EA 174 ? 0.7519 0.5723 0.5952 -0.0387 -0.0011 0.0179 176 GLN o OE1 +44747 N NE2 . GLN EA 174 ? 0.7149 0.5393 0.5642 -0.0450 0.0010 0.0164 176 GLN o NE2 +44748 N N . ALA EA 175 ? 0.7371 0.5766 0.5912 -0.0276 -0.0076 0.0190 177 ALA o N +44749 C CA . ALA EA 175 ? 0.7795 0.6222 0.6347 -0.0253 -0.0085 0.0197 177 ALA o CA +44750 C C . ALA EA 175 ? 0.7485 0.5851 0.5975 -0.0242 -0.0079 0.0206 177 ALA o C +44751 O O . ALA EA 175 ? 0.8113 0.6409 0.6547 -0.0240 -0.0073 0.0208 177 ALA o O +44752 C CB . ALA EA 175 ? 0.6789 0.5249 0.5358 -0.0221 -0.0103 0.0197 177 ALA o CB +44753 N N . LYS EA 176 ? 0.8917 0.7305 0.7415 -0.0232 -0.0083 0.0211 178 LYS o N +44754 C CA . LYS EA 176 ? 0.8644 0.6975 0.7082 -0.0219 -0.0079 0.0220 178 LYS o CA +44755 C C . LYS EA 176 ? 0.8922 0.7231 0.7326 -0.0179 -0.0095 0.0224 178 LYS o C +44756 O O . LYS EA 176 ? 0.9468 0.7827 0.7904 -0.0156 -0.0112 0.0224 178 LYS o O +44757 C CB . LYS EA 176 ? 0.8933 0.7293 0.7386 -0.0221 -0.0078 0.0223 178 LYS o CB +44758 C CG . LYS EA 176 ? 1.1679 1.0028 1.0135 -0.0258 -0.0056 0.0221 178 LYS o CG +44759 C CD . LYS EA 176 ? 1.5206 1.3550 1.3646 -0.0258 -0.0050 0.0227 178 LYS o CD +44760 C CE . LYS EA 176 ? 1.4840 1.3162 1.3272 -0.0294 -0.0025 0.0226 178 LYS o CE +44761 N NZ . LYS EA 176 ? 0.9949 0.8329 0.8448 -0.0322 -0.0019 0.0216 178 LYS o NZ +44762 N N . GLU EA 177 ? 0.9513 0.7744 0.7852 -0.0173 -0.0090 0.0228 179 GLU o N +44763 C CA . GLU EA 177 ? 1.0188 0.8391 0.8492 -0.0136 -0.0104 0.0231 179 GLU o CA +44764 C C . GLU EA 177 ? 1.0372 0.8587 0.8665 -0.0102 -0.0119 0.0237 179 GLU o C +44765 O O . GLU EA 177 ? 0.9866 0.8095 0.8160 -0.0069 -0.0135 0.0236 179 GLU o O +44766 C CB . GLU EA 177 ? 1.0349 0.8458 0.8579 -0.0138 -0.0093 0.0234 179 GLU o CB +44767 C CG . GLU EA 177 ? 1.2825 1.0914 1.1059 -0.0169 -0.0080 0.0227 179 GLU o CG +44768 C CD . GLU EA 177 ? 1.4448 1.2440 1.2608 -0.0182 -0.0063 0.0231 179 GLU o CD +44769 O OE1 . GLU EA 177 ? 1.4502 1.2451 1.2615 -0.0175 -0.0058 0.0239 179 GLU o OE1 +44770 O OE2 . GLU EA 177 ? 1.4878 1.2837 1.3026 -0.0201 -0.0055 0.0225 179 GLU o OE2 +44771 N N . GLU EA 178 ? 1.1059 0.9266 0.9338 -0.0110 -0.0114 0.0242 180 GLU o N +44772 C CA . GLU EA 178 ? 1.1902 1.0110 1.0160 -0.0078 -0.0129 0.0247 180 GLU o CA +44773 C C . GLU EA 178 ? 1.0119 0.8410 0.8440 -0.0059 -0.0148 0.0243 180 GLU o C +44774 O O . GLU EA 178 ? 1.0038 0.8336 0.8348 -0.0024 -0.0166 0.0244 180 GLU o O +44775 C CB . GLU EA 178 ? 1.1617 0.9807 0.9854 -0.0093 -0.0119 0.0252 180 GLU o CB +44776 C CG . GLU EA 178 ? 1.1425 0.9546 0.9615 -0.0122 -0.0094 0.0255 180 GLU o CG +44777 C CD . GLU EA 178 ? 1.4645 1.2804 1.2886 -0.0164 -0.0077 0.0249 180 GLU o CD +44778 O OE1 . GLU EA 178 ? 1.3046 1.1254 1.1327 -0.0176 -0.0076 0.0247 180 GLU o OE1 +44779 O OE2 . GLU EA 178 ? 1.2233 1.0374 1.0477 -0.0184 -0.0067 0.0245 180 GLU o OE2 +44780 N N . GLU EA 179 ? 0.9293 0.7649 0.7681 -0.0082 -0.0145 0.0236 181 GLU o N +44781 C CA . GLU EA 179 ? 0.9258 0.7692 0.7706 -0.0067 -0.0161 0.0232 181 GLU o CA +44782 C C . GLU EA 179 ? 0.9334 0.7774 0.7784 -0.0040 -0.0173 0.0230 181 GLU o C +44783 O O . GLU EA 179 ? 0.9528 0.8020 0.8012 -0.0018 -0.0188 0.0228 181 GLU o O +44784 C CB . GLU EA 179 ? 1.1910 1.0402 1.0421 -0.0098 -0.0153 0.0227 181 GLU o CB +44785 C CG . GLU EA 179 ? 1.6438 1.5010 1.5013 -0.0089 -0.0167 0.0222 181 GLU o CG +44786 C CD . GLU EA 179 ? 1.9333 1.7954 1.7965 -0.0118 -0.0159 0.0217 181 GLU o CD +44787 O OE1 . GLU EA 179 ? 1.9690 1.8294 1.8318 -0.0145 -0.0145 0.0216 181 GLU o OE1 +44788 O OE2 . GLU EA 179 ? 1.7865 1.6540 1.6544 -0.0112 -0.0167 0.0213 181 GLU o OE2 +44789 N N . LEU EA 180 ? 0.8649 0.7036 0.7061 -0.0040 -0.0165 0.0230 182 LEU o N +44790 C CA . LEU EA 180 ? 0.8333 0.6727 0.6751 -0.0018 -0.0174 0.0226 182 LEU o CA +44791 C C . LEU EA 180 ? 0.9436 0.7767 0.7789 0.0015 -0.0180 0.0230 182 LEU o C +44792 O O . LEU EA 180 ? 0.8222 0.6548 0.6570 0.0035 -0.0185 0.0227 182 LEU o O +44793 C CB . LEU EA 180 ? 0.7771 0.6163 0.6205 -0.0044 -0.0162 0.0220 182 LEU o CB +44794 C CG . LEU EA 180 ? 0.8712 0.7173 0.7214 -0.0071 -0.0158 0.0215 182 LEU o CG +44795 C CD1 . LEU EA 180 ? 0.8652 0.7095 0.7157 -0.0101 -0.0145 0.0210 182 LEU o CD1 +44796 C CD2 . LEU EA 180 ? 0.7573 0.6108 0.6131 -0.0054 -0.0171 0.0212 182 LEU o CD2 +44797 N N . ALA EA 181 ? 0.8226 0.6508 0.6527 0.0024 -0.0181 0.0237 183 ALA o N +44798 C CA . ALA EA 181 ? 0.8285 0.6497 0.6516 0.0056 -0.0186 0.0242 183 ALA o CA +44799 C C . ALA EA 181 ? 0.7416 0.5663 0.5663 0.0098 -0.0206 0.0239 183 ALA o C +44800 O O . ALA EA 181 ? 0.8351 0.6555 0.6558 0.0123 -0.0210 0.0239 183 ALA o O +44801 C CB . ALA EA 181 ? 0.8063 0.6225 0.6241 0.0058 -0.0185 0.0250 183 ALA o CB +44802 N N . ARG EA 182 ? 0.7493 0.5817 0.5795 0.0108 -0.0220 0.0236 184 ARG o N +44803 C CA . ARG EA 182 ? 0.8144 0.6503 0.6462 0.0148 -0.0238 0.0233 184 ARG o CA +44804 C C . ARG EA 182 ? 0.8898 0.7278 0.7242 0.0153 -0.0235 0.0227 184 ARG o C +44805 O O . ARG EA 182 ? 0.8738 0.7110 0.7066 0.0188 -0.0245 0.0225 184 ARG o O +44806 C CB . ARG EA 182 ? 0.8633 0.7075 0.7011 0.0153 -0.0252 0.0230 184 ARG o CB +44807 C CG . ARG EA 182 ? 1.1356 0.9818 0.9732 0.0199 -0.0273 0.0228 184 ARG o CG +44808 C CD . ARG EA 182 ? 1.2203 1.0745 1.0636 0.0207 -0.0289 0.0224 184 ARG o CD +44809 N NE . ARG EA 182 ? 1.3657 1.2215 1.2086 0.0251 -0.0309 0.0221 184 ARG o NE +44810 C CZ . ARG EA 182 ? 1.2837 1.1463 1.1312 0.0267 -0.0326 0.0216 184 ARG o CZ +44811 N NH1 . ARG EA 182 ? 1.4499 1.3182 1.3027 0.0242 -0.0326 0.0213 184 ARG o NH1 +44812 N NH2 . ARG EA 182 ? 1.1073 0.9712 0.9544 0.0308 -0.0343 0.0212 184 ARG o NH2 +44813 N N . ALA EA 183 ? 0.7629 0.6032 0.6009 0.0119 -0.0222 0.0224 185 ALA o N +44814 C CA . ALA EA 183 ? 0.7496 0.5914 0.5896 0.0121 -0.0219 0.0218 185 ALA o CA +44815 C C . ALA EA 183 ? 0.7702 0.6039 0.6043 0.0117 -0.0208 0.0218 185 ALA o C +44816 O O . ALA EA 183 ? 0.7595 0.5925 0.5930 0.0135 -0.0209 0.0214 185 ALA o O +44817 C CB . ALA EA 183 ? 0.6918 0.5400 0.5384 0.0089 -0.0212 0.0213 185 ALA o CB +44818 N N . ASN EA 184 ? 0.7562 0.5836 0.5858 0.0095 -0.0197 0.0223 186 ASN o N +44819 C CA . ASN EA 184 ? 0.7509 0.5703 0.5748 0.0086 -0.0185 0.0223 186 ASN o CA +44820 C C . ASN EA 184 ? 0.7665 0.5787 0.5832 0.0122 -0.0191 0.0227 186 ASN o C +44821 O O . ASN EA 184 ? 0.8919 0.6988 0.7047 0.0129 -0.0187 0.0225 186 ASN o O +44822 C CB . ASN EA 184 ? 0.7989 0.6143 0.6208 0.0045 -0.0169 0.0226 186 ASN o CB +44823 C CG . ASN EA 184 ? 0.7938 0.6144 0.6216 0.0006 -0.0159 0.0220 186 ASN o CG +44824 O OD1 . ASN EA 184 ? 0.7305 0.5558 0.5626 0.0008 -0.0163 0.0214 186 ASN o OD1 +44825 N ND2 . ASN EA 184 ? 0.7597 0.5793 0.5877 -0.0028 -0.0147 0.0222 186 ASN o ND2 +44826 N N . VAL EA 185 ? 0.7950 0.6068 0.6097 0.0147 -0.0202 0.0233 187 VAL o N +44827 C CA . VAL EA 185 ? 0.9099 0.7142 0.7172 0.0182 -0.0209 0.0238 187 VAL o CA +44828 C C . VAL EA 185 ? 0.7551 0.5640 0.5646 0.0228 -0.0228 0.0235 187 VAL o C +44829 O O . VAL EA 185 ? 0.8711 0.6856 0.6840 0.0243 -0.0242 0.0235 187 VAL o O +44830 C CB . VAL EA 185 ? 0.9247 0.7247 0.7276 0.0178 -0.0209 0.0247 187 VAL o CB +44831 C CG1 . VAL EA 185 ? 0.8762 0.6682 0.6709 0.0217 -0.0217 0.0253 187 VAL o CG1 +44832 C CG2 . VAL EA 185 ? 0.7474 0.5432 0.5484 0.0131 -0.0187 0.0250 187 VAL o CG2 +44833 N N . LYS EA 186 ? 0.7589 0.5655 0.5666 0.0250 -0.0229 0.0231 188 LYS o N +44834 C CA . LYS EA 186 ? 0.7393 0.5505 0.5493 0.0294 -0.0246 0.0226 188 LYS o CA +44835 C C . LYS EA 186 ? 0.9109 0.7173 0.7151 0.0337 -0.0260 0.0231 188 LYS o C +44836 O O . LYS EA 186 ? 0.8767 0.6737 0.6731 0.0339 -0.0255 0.0237 188 LYS o O +44837 C CB . LYS EA 186 ? 0.7294 0.5400 0.5396 0.0303 -0.0240 0.0219 188 LYS o CB +44838 C CG . LYS EA 186 ? 0.7528 0.5671 0.5679 0.0262 -0.0226 0.0214 188 LYS o CG +44839 C CD . LYS EA 186 ? 0.7457 0.5700 0.5691 0.0244 -0.0230 0.0212 188 LYS o CD +44840 C CE . LYS EA 186 ? 0.7358 0.5640 0.5639 0.0212 -0.0218 0.0206 188 LYS o CE +44841 N NZ . LYS EA 186 ? 0.6965 0.5337 0.5321 0.0194 -0.0221 0.0204 188 LYS o NZ +44842 N N . ARG EA 187 ? 0.8189 0.6316 0.6267 0.0370 -0.0279 0.0228 189 ARG o N +44843 C CA . ARG EA 187 ? 0.8365 0.6459 0.6395 0.0414 -0.0296 0.0232 189 ARG o CA +44844 C C . ARG EA 187 ? 0.8945 0.7083 0.7000 0.0460 -0.0311 0.0224 189 ARG o C +44845 O O . ARG EA 187 ? 0.9443 0.7671 0.7574 0.0458 -0.0313 0.0217 189 ARG o O +44846 C CB . ARG EA 187 ? 0.7678 0.5807 0.5726 0.0409 -0.0308 0.0235 189 ARG o CB +44847 C CG . ARG EA 187 ? 0.9186 0.7256 0.7193 0.0371 -0.0293 0.0244 189 ARG o CG +44848 C CD . ARG EA 187 ? 0.9414 0.7524 0.7443 0.0365 -0.0303 0.0246 189 ARG o CD +44849 N NE . ARG EA 187 ? 1.1514 0.9728 0.9635 0.0345 -0.0305 0.0239 189 ARG o NE +44850 C CZ . ARG EA 187 ? 1.3305 1.1576 1.1463 0.0348 -0.0319 0.0238 189 ARG o CZ +44851 N NH1 . ARG EA 187 ? 1.1262 0.9503 0.9376 0.0372 -0.0334 0.0242 189 ARG o NH1 +44852 N NH2 . ARG EA 187 ? 0.9523 0.7883 0.7763 0.0327 -0.0319 0.0232 189 ARG o NH2 +44853 N N . PHE EA 188 ? 0.9301 0.7375 0.7291 0.0501 -0.0320 0.0226 190 PHE o N +44854 C CA . PHE EA 188 ? 0.8100 0.6207 0.6106 0.0549 -0.0333 0.0219 190 PHE o CA +44855 C C . PHE EA 188 ? 0.8757 0.6897 0.6769 0.0587 -0.0358 0.0219 190 PHE o C +44856 O O . PHE EA 188 ? 0.9263 0.7333 0.7205 0.0606 -0.0367 0.0226 190 PHE o O +44857 C CB . PHE EA 188 ? 0.8120 0.6131 0.6048 0.0572 -0.0327 0.0220 190 PHE o CB +44858 C CG . PHE EA 188 ? 0.8581 0.6622 0.6525 0.0617 -0.0335 0.0211 190 PHE o CG +44859 C CD1 . PHE EA 188 ? 0.7848 0.5908 0.5787 0.0670 -0.0358 0.0209 190 PHE o CD1 +44860 C CD2 . PHE EA 188 ? 0.8319 0.6363 0.6279 0.0609 -0.0321 0.0205 190 PHE o CD2 +44861 C CE1 . PHE EA 188 ? 0.8051 0.6141 0.6007 0.0713 -0.0365 0.0200 190 PHE o CE1 +44862 C CE2 . PHE EA 188 ? 0.8456 0.6525 0.6427 0.0652 -0.0327 0.0197 190 PHE o CE2 +44863 C CZ . PHE EA 188 ? 0.8239 0.6333 0.6211 0.0704 -0.0348 0.0194 190 PHE o CZ +44864 N N . SER EA 189 ? 0.8381 0.6627 0.6474 0.0596 -0.0369 0.0210 191 SER o N +44865 C CA . SER EA 189 ? 0.8510 0.6794 0.6614 0.0631 -0.0394 0.0209 191 SER o CA +44866 C C . SER EA 189 ? 0.8700 0.6985 0.6789 0.0690 -0.0410 0.0202 191 SER o C +44867 O O . SER EA 189 ? 0.9183 0.7470 0.7280 0.0701 -0.0401 0.0197 191 SER o O +44868 C CB . SER EA 189 ? 0.9096 0.7494 0.7294 0.0612 -0.0401 0.0202 191 SER o CB +44869 O OG . SER EA 189 ? 1.0290 0.8768 0.8557 0.0625 -0.0401 0.0192 191 SER o OG +44870 N N . LEU EA 190 ? 0.9165 0.7446 0.7229 0.0728 -0.0434 0.0203 192 LEU o N +44871 C CA . LEU EA 190 ? 0.8980 0.7280 0.7043 0.0787 -0.0453 0.0196 192 LEU o CA +44872 C C . LEU EA 190 ? 0.8032 0.6397 0.6130 0.0808 -0.0480 0.0191 192 LEU o C +44873 O O . LEU EA 190 ? 0.9410 0.7730 0.7461 0.0804 -0.0490 0.0199 192 LEU o O +44874 C CB . LEU EA 190 ? 0.7852 0.6037 0.5812 0.0823 -0.0456 0.0202 192 LEU o CB +44875 C CG . LEU EA 190 ? 0.9788 0.7980 0.7735 0.0889 -0.0476 0.0195 192 LEU o CG +44876 C CD1 . LEU EA 190 ? 0.8295 0.6547 0.6299 0.0901 -0.0467 0.0184 192 LEU o CD1 +44877 C CD2 . LEU EA 190 ? 1.0192 0.8254 0.8025 0.0918 -0.0478 0.0203 192 LEU o CD2 +44878 N N . THR EA 191 ? 0.8118 0.6588 0.6298 0.0827 -0.0492 0.0179 193 THR o N +44879 C CA . THR EA 191 ? 0.8107 0.6655 0.6336 0.0841 -0.0517 0.0173 193 THR o CA +44880 C C . THR EA 191 ? 0.8132 0.6732 0.6387 0.0899 -0.0538 0.0161 193 THR o C +44881 O O . THR EA 191 ? 0.8441 0.7013 0.6674 0.0927 -0.0531 0.0159 193 THR o O +44882 C CB . THR EA 191 ? 0.9261 0.7905 0.7581 0.0795 -0.0510 0.0168 193 THR o CB +44883 O OG1 . THR EA 191 ? 0.8718 0.7429 0.7108 0.0784 -0.0494 0.0160 193 THR o OG1 +44884 C CG2 . THR EA 191 ? 0.9310 0.7902 0.7601 0.0742 -0.0493 0.0179 193 THR o CG2 +44885 N N . LYS EA 192 ? 0.8473 0.7152 0.6780 0.0916 -0.0562 0.0153 194 LYS o N +44886 C CA . LYS EA 192 ? 0.9583 0.8318 0.7918 0.0972 -0.0586 0.0141 194 LYS o CA +44887 C C . LYS EA 192 ? 0.8554 0.7424 0.7006 0.0959 -0.0588 0.0127 194 LYS o C +44888 O O . LYS EA 192 ? 0.9219 0.8136 0.7719 0.0914 -0.0583 0.0127 194 LYS o O +44889 C CB . LYS EA 192 ? 0.8951 0.7653 0.7233 0.1011 -0.0619 0.0142 194 LYS o CB +44890 C CG . LYS EA 192 ? 1.0119 0.8689 0.8283 0.1041 -0.0620 0.0153 194 LYS o CG +44891 C CD . LYS EA 192 ? 1.4674 1.3242 1.2811 0.1112 -0.0650 0.0146 194 LYS o CD +44892 C CE . LYS EA 192 ? 1.5478 1.3963 1.3548 0.1145 -0.0640 0.0150 194 LYS o CE +44893 N NZ . LYS EA 192 ? 1.5317 1.3670 1.3288 0.1119 -0.0619 0.0167 194 LYS o NZ +44894 N N . GLY EA 193 ? 0.7808 0.6740 0.6304 0.0998 -0.0595 0.0115 195 GLY o N +44895 C CA . GLY EA 193 ? 0.8421 0.7484 0.7026 0.0993 -0.0600 0.0101 195 GLY o CA +44896 C C . GLY EA 193 ? 0.7824 0.6939 0.6451 0.1053 -0.0631 0.0088 195 GLY o C +44897 O O . GLY EA 193 ? 0.8478 0.7528 0.7036 0.1101 -0.0645 0.0090 195 GLY o O +44898 N N . GLN EA 194 ? 0.8472 0.7707 0.7197 0.1050 -0.0640 0.0074 196 GLN o N +44899 C CA . GLN EA 194 ? 0.8954 0.8256 0.7714 0.1103 -0.0671 0.0059 196 GLN o CA +44900 C C . GLN EA 194 ? 0.8348 0.7761 0.7207 0.1108 -0.0659 0.0045 196 GLN o C +44901 O O . GLN EA 194 ? 0.8400 0.7868 0.7322 0.1061 -0.0636 0.0044 196 GLN o O +44902 C CB . GLN EA 194 ? 0.8954 0.8304 0.7742 0.1098 -0.0701 0.0054 196 GLN o CB +44903 C CG . GLN EA 194 ? 1.0802 1.0050 0.9490 0.1110 -0.0721 0.0065 196 GLN o CG +44904 C CD . GLN EA 194 ? 1.5361 1.4529 1.3998 0.1055 -0.0697 0.0082 196 GLN o CD +44905 O OE1 . GLN EA 194 ? 1.3179 1.2394 1.1872 0.1002 -0.0682 0.0082 196 GLN o OE1 +44906 N NE2 . GLN EA 194 ? 1.4006 1.3050 1.2536 0.1066 -0.0694 0.0097 196 GLN o NE2 +44907 N N . ILE EA 195 ? 0.8115 0.7561 0.6986 0.1165 -0.0675 0.0033 197 ILE o N +44908 C CA . ILE EA 195 ? 0.7933 0.7489 0.6899 0.1175 -0.0664 0.0018 197 ILE o CA +44909 C C . ILE EA 195 ? 0.8055 0.7692 0.7067 0.1228 -0.0699 0.0000 197 ILE o C +44910 O O . ILE EA 195 ? 0.8247 0.7833 0.7197 0.1276 -0.0727 0.0001 197 ILE o O +44911 C CB . ILE EA 195 ? 0.8356 0.7867 0.7292 0.1190 -0.0636 0.0021 197 ILE o CB +44912 C CG1 . ILE EA 195 ? 0.7068 0.6692 0.6103 0.1191 -0.0619 0.0007 197 ILE o CG1 +44913 C CG2 . ILE EA 195 ? 0.7902 0.7329 0.6751 0.1252 -0.0653 0.0023 197 ILE o CG2 +44914 C CD1 . ILE EA 195 ? 0.8109 0.7689 0.7119 0.1188 -0.0585 0.0011 197 ILE o CD1 +44915 N N . SER EA 196 ? 0.8344 0.8109 0.7467 0.1217 -0.0697 -0.0015 198 SER o N +44916 C CA . SER EA 196 ? 0.8911 0.8775 0.8098 0.1265 -0.0724 -0.0035 198 SER o CA +44917 C C . SER EA 196 ? 0.9090 0.9026 0.8343 0.1279 -0.0700 -0.0046 198 SER o C +44918 O O . SER EA 196 ? 1.0036 1.0010 0.9341 0.1233 -0.0668 -0.0045 198 SER o O +44919 C CB . SER EA 196 ? 0.8119 0.8081 0.7387 0.1238 -0.0744 -0.0046 198 SER o CB +44920 O OG . SER EA 196 ? 1.2828 1.2732 1.2036 0.1241 -0.0774 -0.0039 198 SER o OG +44921 N N . LEU EA 197 ? 0.9740 0.9692 0.8990 0.1343 -0.0714 -0.0056 199 LEU o N +44922 C CA . LEU EA 197 ? 0.8467 0.8491 0.7779 0.1364 -0.0693 -0.0069 199 LEU o CA +44923 C C . LEU EA 197 ? 1.0104 1.0257 0.9509 0.1400 -0.0720 -0.0091 199 LEU o C +44924 O O . LEU EA 197 ? 1.0382 1.0527 0.9760 0.1458 -0.0754 -0.0098 199 LEU o O +44925 C CB . LEU EA 197 ? 0.8262 0.8193 0.7491 0.1410 -0.0683 -0.0062 199 LEU o CB +44926 C CG . LEU EA 197 ? 0.9448 0.9259 0.8593 0.1370 -0.0655 -0.0042 199 LEU o CG +44927 C CD1 . LEU EA 197 ? 1.0404 1.0084 0.9429 0.1412 -0.0668 -0.0030 199 LEU o CD1 +44928 C CD2 . LEU EA 197 ? 1.0174 1.0006 0.9351 0.1352 -0.0614 -0.0042 199 LEU o CD2 +44929 N N . ASN EA 198 ? 0.8503 0.8774 0.8018 0.1367 -0.0705 -0.0103 200 ASN o N +44930 C CA . ASN EA 198 ? 0.9333 0.9740 0.8950 0.1390 -0.0727 -0.0126 200 ASN o CA +44931 C C . ASN EA 198 ? 0.9572 1.0045 0.9242 0.1427 -0.0707 -0.0140 200 ASN o C +44932 O O . ASN EA 198 ? 0.9204 0.9729 0.8932 0.1392 -0.0671 -0.0142 200 ASN o O +44933 C CB . ASN EA 198 ? 0.9647 1.0141 0.9352 0.1328 -0.0722 -0.0132 200 ASN o CB +44934 C CG . ASN EA 198 ? 1.0980 1.1616 1.0793 0.1347 -0.0747 -0.0156 200 ASN o CG +44935 O OD1 . ASN EA 198 ? 1.2456 1.3131 1.2284 0.1408 -0.0768 -0.0170 200 ASN o OD1 +44936 N ND2 . ASN EA 198 ? 1.3246 1.3958 1.3135 0.1294 -0.0744 -0.0162 200 ASN o ND2 +44937 N N . VAL EA 199 ? 0.8158 0.8627 0.7804 0.1498 -0.0731 -0.0149 201 VAL o N +44938 C CA . VAL EA 199 ? 0.7976 0.8514 0.7674 0.1539 -0.0715 -0.0163 201 VAL o CA +44939 C C . VAL EA 199 ? 0.9510 1.0210 0.9347 0.1522 -0.0713 -0.0185 201 VAL o C +44940 O O . VAL EA 199 ? 0.9516 1.0287 0.9404 0.1527 -0.0747 -0.0197 201 VAL o O +44941 C CB . VAL EA 199 ? 0.8164 0.8667 0.7809 0.1621 -0.0745 -0.0170 201 VAL o CB +44942 C CG1 . VAL EA 199 ? 0.8121 0.8707 0.7830 0.1664 -0.0729 -0.0187 201 VAL o CG1 +44943 C CG2 . VAL EA 199 ? 0.8009 0.8348 0.7516 0.1636 -0.0743 -0.0149 201 VAL o CG2 +44944 N N . ALA EA 200 ? 0.9426 1.0184 0.9324 0.1500 -0.0672 -0.0189 202 ALA o N +44945 C CA . ALA EA 200 ? 0.9613 1.0523 0.9643 0.1482 -0.0663 -0.0209 202 ALA o CA +44946 C C . ALA EA 200 ? 0.8229 0.9215 0.8313 0.1530 -0.0647 -0.0226 202 ALA o C +44947 O O . ALA EA 200 ? 1.0693 1.1815 1.0888 0.1534 -0.0651 -0.0247 202 ALA o O +44948 C CB . ALA EA 200 ? 0.8971 0.9902 0.9042 0.1402 -0.0627 -0.0201 202 ALA o CB +44949 N N . LYS EA 201 ? 0.8821 0.9726 0.8833 0.1564 -0.0629 -0.0218 203 LYS o N +44950 C CA . LYS EA 201 ? 0.8525 0.9493 0.8581 0.1611 -0.0611 -0.0233 203 LYS o CA +44951 C C . LYS EA 201 ? 1.0285 1.1153 1.0241 0.1681 -0.0627 -0.0229 203 LYS o C +44952 O O . LYS EA 201 ? 0.9028 0.9758 0.8873 0.1674 -0.0623 -0.0208 203 LYS o O +44953 C CB . LYS EA 201 ? 1.1091 1.2072 1.1174 0.1569 -0.0556 -0.0228 203 LYS o CB +44954 C CG . LYS EA 201 ? 0.9701 1.0801 0.9898 0.1508 -0.0537 -0.0237 203 LYS o CG +44955 C CD . LYS EA 201 ? 1.1089 1.2175 1.1290 0.1460 -0.0484 -0.0227 203 LYS o CD +44956 C CE . LYS EA 201 ? 1.5489 1.6666 1.5784 0.1391 -0.0466 -0.0230 203 LYS o CE +44957 N NZ . LYS EA 201 ? 1.5603 1.6747 1.5885 0.1339 -0.0418 -0.0217 203 LYS o NZ +44958 N N . VAL EA 202 ? 0.9868 1.0805 0.9863 0.1748 -0.0645 -0.0248 204 VAL o N +44959 C CA . VAL EA 202 ? 0.9393 1.0247 0.9302 0.1822 -0.0661 -0.0247 204 VAL o CA +44960 C C . VAL EA 202 ? 1.0243 1.1177 1.0211 0.1867 -0.0639 -0.0265 204 VAL o C +44961 O O . VAL EA 202 ? 0.9984 1.1062 1.0068 0.1877 -0.0642 -0.0287 204 VAL o O +44962 C CB . VAL EA 202 ? 0.9951 1.0797 0.9833 0.1872 -0.0717 -0.0253 204 VAL o CB +44963 C CG1 . VAL EA 202 ? 0.7467 0.8211 0.7248 0.1948 -0.0732 -0.0250 204 VAL o CG1 +44964 C CG2 . VAL EA 202 ? 0.8365 0.9146 0.8200 0.1825 -0.0739 -0.0237 204 VAL o CG2 +44965 N N . ASP EA 203 ? 0.9835 1.0678 0.9726 0.1892 -0.0614 -0.0256 205 ASP o N +44966 C CA . ASP EA 203 ? 1.0339 1.1233 1.0261 0.1952 -0.0600 -0.0273 205 ASP o CA +44967 C C . ASP EA 203 ? 1.1743 1.2560 1.1580 0.2032 -0.0637 -0.0274 205 ASP o C +44968 O O . ASP EA 203 ? 1.0582 1.1257 1.0301 0.2048 -0.0632 -0.0258 205 ASP o O +44969 C CB . ASP EA 203 ? 1.1600 1.2445 1.1492 0.1931 -0.0548 -0.0264 205 ASP o CB +44970 C CG . ASP EA 203 ? 1.2218 1.3138 1.2160 0.1984 -0.0527 -0.0283 205 ASP o CG +44971 O OD1 . ASP EA 203 ? 1.1955 1.2901 1.1901 0.2057 -0.0555 -0.0298 205 ASP o OD1 +44972 O OD2 . ASP EA 203 ? 1.1555 1.2509 1.1535 0.1954 -0.0481 -0.0284 205 ASP o OD2 +44973 N N . GLY EA 204 ? 0.9867 1.0773 0.9762 0.2080 -0.0676 -0.0293 206 GLY o N +44974 C CA . GLY EA 204 ? 1.2128 1.2966 1.1945 0.2158 -0.0716 -0.0294 206 GLY o CA +44975 C C . GLY EA 204 ? 1.0470 1.1250 1.0231 0.2218 -0.0698 -0.0296 206 GLY o C +44976 O O . GLY EA 204 ? 1.4164 1.4832 1.3818 0.2271 -0.0721 -0.0289 206 GLY o O +44977 N N . ARG EA 205 ? 1.1615 1.2464 1.1439 0.2209 -0.0655 -0.0306 207 ARG o N +44978 C CA . ARG EA 205 ? 1.0150 1.0953 0.9928 0.2263 -0.0632 -0.0309 207 ARG o CA +44979 C C . ARG EA 205 ? 1.2343 1.2977 1.1992 0.2239 -0.0607 -0.0285 207 ARG o C +44980 O O . ARG EA 205 ? 1.2767 1.3294 1.2317 0.2295 -0.0614 -0.0280 207 ARG o O +44981 C CB . ARG EA 205 ? 1.1884 1.2829 1.1782 0.2257 -0.0594 -0.0329 207 ARG o CB +44982 C CG . ARG EA 205 ? 1.6197 1.7102 1.6060 0.2289 -0.0555 -0.0331 207 ARG o CG +44983 C CD . ARG EA 205 ? 1.8653 1.9701 1.8640 0.2263 -0.0513 -0.0347 207 ARG o CD +44984 N NE . ARG EA 205 ? 2.1125 2.2171 2.1131 0.2172 -0.0478 -0.0333 207 ARG o NE +44985 C CZ . ARG EA 205 ? 2.0772 2.1904 2.0861 0.2112 -0.0483 -0.0334 207 ARG o CZ +44986 N NH1 . ARG EA 205 ? 2.0719 2.1949 2.0883 0.2129 -0.0522 -0.0348 207 ARG o NH1 +44987 N NH2 . ARG EA 205 ? 1.8839 1.9957 1.8936 0.2035 -0.0449 -0.0320 207 ARG o NH2 +44988 N N . THR EA 206 ? 1.2440 1.3047 1.2086 0.2158 -0.0579 -0.0269 208 THR o N +44989 C CA . THR EA 206 ? 1.0416 1.0874 0.9950 0.2131 -0.0552 -0.0248 208 THR o CA +44990 C C . THR EA 206 ? 1.1976 1.2298 1.1402 0.2110 -0.0578 -0.0226 208 THR o C +44991 O O . THR EA 206 ? 1.0792 1.0976 1.0110 0.2101 -0.0562 -0.0209 208 THR o O +44992 C CB . THR EA 206 ? 0.9134 0.9627 0.8716 0.2056 -0.0505 -0.0242 208 THR o CB +44993 O OG1 . THR EA 206 ? 1.3573 1.4115 1.3208 0.1990 -0.0514 -0.0237 208 THR o OG1 +44994 C CG2 . THR EA 206 ? 1.4568 1.5191 1.4254 0.2072 -0.0475 -0.0263 208 THR o CG2 +44995 N N . GLY EA 207 ? 1.1691 1.2045 1.1140 0.2101 -0.0615 -0.0226 209 GLY o N +44996 C CA . GLY EA 207 ? 1.1578 1.1810 1.0931 0.2071 -0.0634 -0.0205 209 GLY o CA +44997 C C . GLY EA 207 ? 1.2404 1.2612 1.1761 0.1982 -0.0607 -0.0189 209 GLY o C +44998 O O . GLY EA 207 ? 1.0455 1.0534 0.9712 0.1953 -0.0606 -0.0168 209 GLY o O +44999 N N . GLU EA 208 ? 0.9179 0.9508 0.8646 0.1936 -0.0583 -0.0198 210 GLU o N +45000 C CA . GLU EA 208 ? 0.9238 0.9557 0.8718 0.1852 -0.0556 -0.0184 210 GLU o CA +45001 C C . GLU EA 208 ? 1.1247 1.1655 1.0805 0.1812 -0.0578 -0.0187 210 GLU o C +45002 O O . GLU EA 208 ? 0.9508 1.0049 0.9170 0.1828 -0.0590 -0.0207 210 GLU o O +45003 C CB . GLU EA 208 ? 1.0144 1.0525 0.9685 0.1826 -0.0508 -0.0190 210 GLU o CB +45004 C CG . GLU EA 208 ? 1.1274 1.1564 1.0737 0.1855 -0.0482 -0.0186 210 GLU o CG +45005 C CD . GLU EA 208 ? 1.1455 1.1810 1.0980 0.1826 -0.0435 -0.0191 210 GLU o CD +45006 O OE1 . GLU EA 208 ? 1.0876 1.1370 1.0512 0.1834 -0.0427 -0.0209 210 GLU o OE1 +45007 O OE2 . GLU EA 208 ? 0.9989 1.0258 0.9453 0.1795 -0.0405 -0.0178 210 GLU o OE2 +45008 N N . ILE EA 209 ? 1.1213 1.1545 1.0720 0.1758 -0.0583 -0.0169 211 ILE o N +45009 C CA . ILE EA 209 ? 0.9066 0.9465 0.8635 0.1711 -0.0600 -0.0170 211 ILE o CA +45010 C C . ILE EA 209 ? 1.0098 1.0483 0.9677 0.1630 -0.0566 -0.0156 211 ILE o C +45011 O O . ILE EA 209 ? 0.9473 0.9755 0.8977 0.1610 -0.0541 -0.0141 211 ILE o O +45012 C CB . ILE EA 209 ? 1.0163 1.0489 0.9662 0.1727 -0.0644 -0.0161 211 ILE o CB +45013 C CG1 . ILE EA 209 ? 1.0238 1.0393 0.9599 0.1726 -0.0639 -0.0139 211 ILE o CG1 +45014 C CG2 . ILE EA 209 ? 1.0637 1.1013 1.0154 0.1802 -0.0684 -0.0178 211 ILE o CG2 +45015 C CD1 . ILE EA 209 ? 0.8996 0.9068 0.8281 0.1726 -0.0674 -0.0127 211 ILE o CD1 +45016 N N . ALA EA 210 ? 0.7682 0.8170 0.7356 0.1584 -0.0566 -0.0163 212 ALA o N +45017 C CA . ALA EA 210 ? 0.9314 0.9790 0.8999 0.1506 -0.0540 -0.0150 212 ALA o CA +45018 C C . ALA EA 210 ? 0.9298 0.9836 0.9039 0.1470 -0.0565 -0.0152 212 ALA o C +45019 O O . ALA EA 210 ? 0.8457 0.9088 0.8264 0.1498 -0.0593 -0.0169 212 ALA o O +45020 C CB . ALA EA 210 ? 0.7618 0.8164 0.7372 0.1478 -0.0495 -0.0155 212 ALA o CB +45021 N N . GLY EA 211 ? 0.7270 0.7757 0.6984 0.1407 -0.0555 -0.0136 213 GLY o N +45022 C CA . GLY EA 211 ? 0.7409 0.7948 0.7172 0.1367 -0.0575 -0.0138 213 GLY o CA +45023 C C . GLY EA 211 ? 1.0084 1.0566 0.9820 0.1295 -0.0554 -0.0120 213 GLY o C +45024 O O . GLY EA 211 ? 0.8440 0.8877 0.8150 0.1270 -0.0518 -0.0110 213 GLY o O +45025 N N . THR EA 212 ? 0.8369 0.8854 0.8111 0.1265 -0.0577 -0.0117 214 THR o N +45026 C CA . THR EA 212 ? 0.8456 0.8887 0.8170 0.1199 -0.0563 -0.0101 214 THR o CA +45027 C C . THR EA 212 ? 0.9095 0.9405 0.8703 0.1206 -0.0587 -0.0085 214 THR o C +45028 O O . THR EA 212 ? 0.8519 0.8807 0.8091 0.1256 -0.0620 -0.0089 214 THR o O +45029 C CB . THR EA 212 ? 0.8266 0.8796 0.8072 0.1153 -0.0569 -0.0109 214 THR o CB +45030 O OG1 . THR EA 212 ? 0.8401 0.8971 0.8226 0.1181 -0.0612 -0.0120 214 THR o OG1 +45031 C CG2 . THR EA 212 ? 0.7589 0.8236 0.7500 0.1139 -0.0541 -0.0123 214 THR o CG2 +45032 N N . PHE EA 213 ? 0.7638 0.7868 0.7195 0.1157 -0.0569 -0.0068 215 PHE o N +45033 C CA . PHE EA 213 ? 0.6683 0.6798 0.6141 0.1157 -0.0588 -0.0052 215 PHE o CA +45034 C C . PHE EA 213 ? 0.7793 0.7894 0.7256 0.1091 -0.0582 -0.0042 215 PHE o C +45035 O O . PHE EA 213 ? 0.8036 0.8186 0.7556 0.1044 -0.0556 -0.0042 215 PHE o O +45036 C CB . PHE EA 213 ? 0.7284 0.7278 0.6641 0.1177 -0.0573 -0.0039 215 PHE o CB +45037 C CG . PHE EA 213 ? 0.8020 0.7969 0.7359 0.1127 -0.0535 -0.0026 215 PHE o CG +45038 C CD1 . PHE EA 213 ? 0.8499 0.8365 0.7781 0.1082 -0.0530 -0.0010 215 PHE o CD1 +45039 C CD2 . PHE EA 213 ? 0.8539 0.8524 0.7914 0.1126 -0.0503 -0.0031 215 PHE o CD2 +45040 C CE1 . PHE EA 213 ? 0.8691 0.8517 0.7957 0.1037 -0.0496 0.0001 215 PHE o CE1 +45041 C CE2 . PHE EA 213 ? 0.8479 0.8419 0.7833 0.1082 -0.0470 -0.0020 215 PHE o CE2 +45042 C CZ . PHE EA 213 ? 0.7629 0.7491 0.6930 0.1037 -0.0467 -0.0004 215 PHE o CZ +45043 N N . GLU EA 214 ? 0.8165 0.8198 0.7565 0.1090 -0.0607 -0.0033 216 GLU o N +45044 C CA . GLU EA 214 ? 0.7860 0.7854 0.7241 0.1034 -0.0601 -0.0021 216 GLU o CA +45045 C C . GLU EA 214 ? 0.8432 0.8290 0.7696 0.1041 -0.0607 -0.0004 216 GLU o C +45046 O O . GLU EA 214 ? 0.8534 0.8349 0.7744 0.1088 -0.0634 -0.0005 216 GLU o O +45047 C CB . GLU EA 214 ? 0.7897 0.7964 0.7335 0.1017 -0.0627 -0.0030 216 GLU o CB +45048 C CG . GLU EA 214 ? 1.0647 1.0679 1.0070 0.0957 -0.0620 -0.0018 216 GLU o CG +45049 C CD . GLU EA 214 ? 0.9756 0.9879 0.9257 0.0931 -0.0638 -0.0030 216 GLU o CD +45050 O OE1 . GLU EA 214 ? 1.1859 1.2086 1.1453 0.0920 -0.0629 -0.0043 216 GLU o OE1 +45051 O OE2 . GLU EA 214 ? 1.4379 1.4466 1.3844 0.0922 -0.0660 -0.0026 216 GLU o OE2 +45052 N N . SER EA 215 ? 0.7634 0.7427 0.6860 0.0995 -0.0582 0.0011 217 SER o N +45053 C CA . SER EA 215 ? 0.7542 0.7206 0.6661 0.0994 -0.0581 0.0027 217 SER o CA +45054 C C . SER EA 215 ? 0.8304 0.7938 0.7412 0.0937 -0.0576 0.0038 217 SER o C +45055 O O . SER EA 215 ? 0.7753 0.7450 0.6927 0.0893 -0.0560 0.0036 217 SER o O +45056 C CB . SER EA 215 ? 0.8171 0.7775 0.7249 0.0998 -0.0552 0.0034 217 SER o CB +45057 O OG . SER EA 215 ? 1.1683 1.1166 1.0664 0.0986 -0.0546 0.0050 217 SER o OG +45058 N N . GLU EA 216 ? 0.7991 0.7530 0.7014 0.0939 -0.0589 0.0050 218 GLU o N +45059 C CA . GLU EA 216 ? 0.7708 0.7209 0.6711 0.0887 -0.0583 0.0061 218 GLU o CA +45060 C C . GLU EA 216 ? 0.8152 0.7526 0.7053 0.0882 -0.0570 0.0077 218 GLU o C +45061 O O . GLU EA 216 ? 0.7288 0.6592 0.6118 0.0924 -0.0583 0.0080 218 GLU o O +45062 C CB . GLU EA 216 ? 0.8425 0.7948 0.7434 0.0887 -0.0614 0.0057 218 GLU o CB +45063 C CG . GLU EA 216 ? 1.1935 1.1580 1.1048 0.0869 -0.0622 0.0043 218 GLU o CG +45064 C CD . GLU EA 216 ? 1.4472 1.4120 1.3592 0.0827 -0.0630 0.0046 218 GLU o CD +45065 O OE1 . GLU EA 216 ? 1.4800 1.4390 1.3887 0.0785 -0.0610 0.0059 218 GLU o OE1 +45066 O OE2 . GLU EA 216 ? 1.4206 1.3915 1.3366 0.0836 -0.0658 0.0035 218 GLU o OE2 +45067 N N . GLN EA 217 ? 0.7388 0.6732 0.6283 0.0831 -0.0545 0.0087 219 GLN o N +45068 C CA . GLN EA 217 ? 0.7641 0.6870 0.6447 0.0819 -0.0530 0.0101 219 GLN o CA +45069 C C . GLN EA 217 ? 0.7261 0.6479 0.6078 0.0758 -0.0509 0.0110 219 GLN o C +45070 O O . GLN EA 217 ? 0.7886 0.7182 0.6776 0.0727 -0.0505 0.0105 219 GLN o O +45071 C CB . GLN EA 217 ? 0.6938 0.6132 0.5718 0.0843 -0.0513 0.0102 219 GLN o CB +45072 C CG . GLN EA 217 ? 0.7365 0.6622 0.6213 0.0816 -0.0486 0.0097 219 GLN o CG +45073 C CD . GLN EA 217 ? 0.7212 0.6413 0.6018 0.0828 -0.0465 0.0100 219 GLN o CD +45074 O OE1 . GLN EA 217 ? 0.7700 0.6924 0.6517 0.0869 -0.0466 0.0091 219 GLN o OE1 +45075 N NE2 . GLN EA 217 ? 0.6986 0.6110 0.5742 0.0794 -0.0446 0.0111 219 GLN o NE2 +45076 N N . LEU EA 218 ? 0.8345 0.7463 0.7086 0.0741 -0.0496 0.0123 220 LEU o N +45077 C CA . LEU EA 218 ? 0.7337 0.6437 0.6081 0.0685 -0.0476 0.0131 220 LEU o CA +45078 C C . LEU EA 218 ? 0.8545 0.7640 0.7301 0.0665 -0.0448 0.0132 220 LEU o C +45079 O O . LEU EA 218 ? 0.7725 0.6799 0.6461 0.0694 -0.0442 0.0130 220 LEU o O +45080 C CB . LEU EA 218 ? 0.8493 0.7491 0.7151 0.0675 -0.0478 0.0143 220 LEU o CB +45081 C CG . LEU EA 218 ? 0.8035 0.7028 0.6672 0.0690 -0.0505 0.0143 220 LEU o CG +45082 C CD1 . LEU EA 218 ? 0.7134 0.6019 0.5681 0.0678 -0.0502 0.0157 220 LEU o CD1 +45083 C CD2 . LEU EA 218 ? 0.7662 0.6742 0.6375 0.0660 -0.0512 0.0137 220 LEU o CD2 +45084 N N . SER EA 219 ? 0.7667 0.6783 0.6458 0.0616 -0.0431 0.0136 221 SER o N +45085 C CA . SER EA 219 ? 0.7329 0.6441 0.6131 0.0593 -0.0404 0.0137 221 SER o CA +45086 C C . SER EA 219 ? 0.7616 0.6627 0.6344 0.0572 -0.0391 0.0148 221 SER o C +45087 O O . SER EA 219 ? 0.7165 0.6108 0.5831 0.0576 -0.0400 0.0155 221 SER o O +45088 C CB . SER EA 219 ? 0.7033 0.6227 0.5915 0.0554 -0.0394 0.0134 221 SER o CB +45089 O OG . SER EA 219 ? 0.7967 0.7146 0.6845 0.0515 -0.0394 0.0140 221 SER o OG +45090 N N . ASP EA 220 ? 0.6933 0.5935 0.5667 0.0547 -0.0368 0.0150 222 ASP o N +45091 C CA . ASP EA 220 ? 0.7013 0.5926 0.5684 0.0524 -0.0354 0.0159 222 ASP o CA +45092 C C . ASP EA 220 ? 0.7561 0.6455 0.6224 0.0485 -0.0354 0.0166 222 ASP o C +45093 O O . ASP EA 220 ? 0.7698 0.6656 0.6419 0.0460 -0.0354 0.0164 222 ASP o O +45094 C CB . ASP EA 220 ? 0.8406 0.7327 0.7096 0.0505 -0.0331 0.0157 222 ASP o CB +45095 C CG . ASP EA 220 ? 0.7747 0.6587 0.6383 0.0473 -0.0316 0.0165 222 ASP o CG +45096 O OD1 . ASP EA 220 ? 0.8291 0.7047 0.6855 0.0485 -0.0319 0.0170 222 ASP o OD1 +45097 O OD2 . ASP EA 220 ? 0.9171 0.8031 0.7837 0.0437 -0.0301 0.0165 222 ASP o OD2 +45098 N N . ASP EA 221 ? 0.7268 0.6072 0.5858 0.0481 -0.0352 0.0174 223 ASP o N +45099 C CA . ASP EA 221 ? 0.7491 0.6270 0.6069 0.0442 -0.0348 0.0181 223 ASP o CA +45100 C C . ASP EA 221 ? 0.7899 0.6624 0.6449 0.0406 -0.0327 0.0186 223 ASP o C +45101 O O . ASP EA 221 ? 0.7437 0.6129 0.5967 0.0375 -0.0321 0.0192 223 ASP o O +45102 C CB . ASP EA 221 ? 0.7845 0.6568 0.6363 0.0458 -0.0364 0.0187 223 ASP o CB +45103 C CG . ASP EA 221 ? 0.8226 0.6849 0.6658 0.0482 -0.0362 0.0192 223 ASP o CG +45104 O OD1 . ASP EA 221 ? 0.8378 0.6966 0.6789 0.0481 -0.0348 0.0192 223 ASP o OD1 +45105 O OD2 . ASP EA 221 ? 1.0147 0.8724 0.8528 0.0504 -0.0376 0.0196 223 ASP o OD2 +45106 N N . ASP EA 222 ? 0.7561 0.6279 0.6111 0.0410 -0.0314 0.0183 224 ASP o N +45107 C CA . ASP EA 222 ? 0.8232 0.6902 0.6758 0.0378 -0.0295 0.0186 224 ASP o CA +45108 C C . ASP EA 222 ? 0.8239 0.6812 0.6688 0.0370 -0.0292 0.0194 224 ASP o C +45109 O O . ASP EA 222 ? 0.7425 0.5976 0.5868 0.0331 -0.0282 0.0198 224 ASP o O +45110 C CB . ASP EA 222 ? 0.9070 0.7795 0.7655 0.0335 -0.0285 0.0186 224 ASP o CB +45111 C CG . ASP EA 222 ? 0.8344 0.7036 0.6916 0.0307 -0.0267 0.0186 224 ASP o CG +45112 O OD1 . ASP EA 222 ? 0.9276 0.7925 0.7812 0.0324 -0.0262 0.0184 224 ASP o OD1 +45113 O OD2 . ASP EA 222 ? 0.9509 0.8217 0.8107 0.0269 -0.0258 0.0188 224 ASP o OD2 +45114 N N . MET EA 223 ? 0.8468 0.6985 0.6859 0.0407 -0.0302 0.0195 225 MET o N +45115 C CA . MET EA 223 ? 0.7618 0.6034 0.5927 0.0405 -0.0299 0.0203 225 MET o CA +45116 C C . MET EA 223 ? 0.7712 0.6117 0.6013 0.0376 -0.0299 0.0210 225 MET o C +45117 O O . MET EA 223 ? 0.7808 0.6150 0.6068 0.0347 -0.0286 0.0215 225 MET o O +45118 C CB . MET EA 223 ? 0.7881 0.6234 0.6152 0.0386 -0.0281 0.0203 225 MET o CB +45119 C CG . MET EA 223 ? 0.9716 0.8090 0.8002 0.0410 -0.0279 0.0196 225 MET o CG +45120 S SD . MET EA 223 ? 1.1443 0.9717 0.9656 0.0410 -0.0265 0.0196 225 MET o SD +45121 C CE . MET EA 223 ? 0.9539 0.7730 0.7669 0.0455 -0.0278 0.0201 225 MET o CE +45122 N N . GLY EA 224 ? 0.7903 0.6369 0.6244 0.0384 -0.0314 0.0209 226 GLY o N +45123 C CA . GLY EA 224 ? 0.7526 0.5982 0.5858 0.0363 -0.0316 0.0214 226 GLY o CA +45124 C C . GLY EA 224 ? 0.8508 0.7017 0.6897 0.0318 -0.0306 0.0213 226 GLY o C +45125 O O . GLY EA 224 ? 0.9025 0.7525 0.7407 0.0298 -0.0305 0.0218 226 GLY o O +45126 N N . ALA EA 225 ? 0.8195 0.6757 0.6640 0.0302 -0.0297 0.0208 227 ALA o N +45127 C CA . ALA EA 225 ? 0.9129 0.7737 0.7625 0.0260 -0.0287 0.0208 227 ALA o CA +45128 C C . ALA EA 225 ? 0.8438 0.7126 0.6994 0.0260 -0.0299 0.0204 227 ALA o C +45129 O O . ALA EA 225 ? 0.9063 0.7776 0.7649 0.0228 -0.0293 0.0205 227 ALA o O +45130 C CB . ALA EA 225 ? 0.7718 0.6348 0.6246 0.0243 -0.0273 0.0203 227 ALA o CB +45131 N N . HIS EA 226 ? 0.8060 0.6790 0.6637 0.0295 -0.0315 0.0200 228 HIS o N +45132 C CA . HIS EA 226 ? 0.7603 0.6408 0.6236 0.0294 -0.0328 0.0196 228 HIS o CA +45133 C C . HIS EA 226 ? 0.8229 0.7046 0.6853 0.0337 -0.0350 0.0192 228 HIS o C +45134 O O . HIS EA 226 ? 0.8863 0.7635 0.7441 0.0369 -0.0354 0.0193 228 HIS o O +45135 C CB . HIS EA 226 ? 0.8082 0.6965 0.6790 0.0277 -0.0321 0.0190 228 HIS o CB +45136 C CG . HIS EA 226 ? 0.8472 0.7382 0.7200 0.0302 -0.0320 0.0184 228 HIS o CG +45137 N ND1 . HIS EA 226 ? 0.7242 0.6198 0.5994 0.0337 -0.0335 0.0178 228 HIS o ND1 +45138 C CD2 . HIS EA 226 ? 0.8102 0.7000 0.6828 0.0298 -0.0305 0.0183 228 HIS o CD2 +45139 C CE1 . HIS EA 226 ? 0.8071 0.7044 0.6837 0.0354 -0.0329 0.0174 228 HIS o CE1 +45140 N NE2 . HIS EA 226 ? 0.8434 0.7370 0.7183 0.0330 -0.0311 0.0177 228 HIS o NE2 +45141 N N . GLU EA 227 ? 0.8302 0.7180 0.6970 0.0339 -0.0364 0.0188 229 GLU o N +45142 C CA . GLU EA 227 ? 0.8880 0.7779 0.7546 0.0379 -0.0387 0.0183 229 GLU o CA +45143 C C . GLU EA 227 ? 0.7868 0.6826 0.6580 0.0405 -0.0390 0.0175 229 GLU o C +45144 O O . GLU EA 227 ? 0.7899 0.6911 0.6667 0.0386 -0.0379 0.0171 229 GLU o O +45145 C CB . GLU EA 227 ? 0.9237 0.8185 0.7938 0.0370 -0.0402 0.0180 229 GLU o CB +45146 C CG . GLU EA 227 ? 1.2349 1.1247 1.1009 0.0344 -0.0398 0.0188 229 GLU o CG +45147 C CD . GLU EA 227 ? 1.2382 1.1188 1.0955 0.0365 -0.0401 0.0195 229 GLU o CD +45148 O OE1 . GLU EA 227 ? 1.3786 1.2582 1.2333 0.0406 -0.0420 0.0193 229 GLU o OE1 +45149 O OE2 . GLU EA 227 ? 1.6488 1.5229 1.5016 0.0340 -0.0384 0.0203 229 GLU o OE2 +45150 N N . PRO EA 228 ? 0.8331 0.7280 0.7020 0.0449 -0.0406 0.0172 230 PRO o N +45151 C CA . PRO EA 228 ? 0.7662 0.6676 0.6400 0.0476 -0.0410 0.0162 230 PRO o CA +45152 C C . PRO EA 228 ? 0.7534 0.6642 0.6346 0.0476 -0.0425 0.0153 230 PRO o C +45153 O O . PRO EA 228 ? 0.7856 0.6974 0.6673 0.0463 -0.0436 0.0154 230 PRO o O +45154 C CB . PRO EA 228 ? 0.7826 0.6790 0.6507 0.0525 -0.0423 0.0162 230 PRO o CB +45155 C CG . PRO EA 228 ? 0.8339 0.7242 0.6959 0.0528 -0.0437 0.0169 230 PRO o CG +45156 C CD . PRO EA 228 ? 0.7997 0.6870 0.6608 0.0478 -0.0419 0.0177 230 PRO o CD +45157 N N . HIS EA 229 ? 0.7494 0.6673 0.6365 0.0489 -0.0423 0.0144 231 HIS o N +45158 C CA . HIS EA 229 ? 0.7412 0.6683 0.6353 0.0497 -0.0439 0.0134 231 HIS o CA +45159 C C . HIS EA 229 ? 0.7971 0.7257 0.6905 0.0550 -0.0460 0.0126 231 HIS o C +45160 O O . HIS EA 229 ? 0.7730 0.6974 0.6625 0.0579 -0.0456 0.0128 231 HIS o O +45161 C CB . HIS EA 229 ? 0.7969 0.7317 0.6986 0.0474 -0.0422 0.0128 231 HIS o CB +45162 C CG . HIS EA 229 ? 0.8869 0.8210 0.7899 0.0425 -0.0404 0.0135 231 HIS o CG +45163 N ND1 . HIS EA 229 ? 1.0062 0.9338 0.9048 0.0405 -0.0385 0.0144 231 HIS o ND1 +45164 C CD2 . HIS EA 229 ? 0.9418 0.8810 0.8499 0.0391 -0.0403 0.0133 231 HIS o CD2 +45165 C CE1 . HIS EA 229 ? 0.9493 0.8782 0.8504 0.0363 -0.0373 0.0147 231 HIS o CE1 +45166 N NE2 . HIS EA 229 ? 1.1773 1.1130 1.0840 0.0354 -0.0383 0.0141 231 HIS o NE2 +45167 N N . GLU EA 230 ? 0.7303 0.6651 0.6278 0.0563 -0.0482 0.0118 232 GLU o N +45168 C CA . GLU EA 230 ? 0.7719 0.7103 0.6707 0.0612 -0.0503 0.0108 232 GLU o CA +45169 C C . GLU EA 230 ? 0.6854 0.6323 0.5918 0.0616 -0.0492 0.0098 232 GLU o C +45170 O O . GLU EA 230 ? 0.7523 0.7058 0.6654 0.0583 -0.0482 0.0093 232 GLU o O +45171 C CB . GLU EA 230 ? 0.8261 0.7686 0.7268 0.0623 -0.0532 0.0100 232 GLU o CB +45172 C CG . GLU EA 230 ? 1.3717 1.3063 1.2643 0.0644 -0.0552 0.0107 232 GLU o CG +45173 C CD . GLU EA 230 ? 1.2953 1.2346 1.1903 0.0655 -0.0582 0.0098 232 GLU o CD +45174 O OE1 . GLU EA 230 ? 1.5151 1.4607 1.4141 0.0691 -0.0602 0.0086 232 GLU o OE1 +45175 O OE2 . GLU EA 230 ? 1.1632 1.1003 1.0566 0.0627 -0.0586 0.0103 232 GLU o OE2 +45176 N N . VAL EA 231 ? 0.8078 0.7543 0.7130 0.0657 -0.0492 0.0093 233 VAL o N +45177 C CA . VAL EA 231 ? 0.8098 0.7640 0.7217 0.0665 -0.0480 0.0084 233 VAL o CA +45178 C C . VAL EA 231 ? 0.7790 0.7387 0.6937 0.0715 -0.0503 0.0071 233 VAL o C +45179 O O . VAL EA 231 ? 0.7791 0.7336 0.6880 0.0756 -0.0521 0.0072 233 VAL o O +45180 C CB . VAL EA 231 ? 0.7778 0.7271 0.6864 0.0666 -0.0453 0.0090 233 VAL o CB +45181 C CG1 . VAL EA 231 ? 0.8295 0.7871 0.7453 0.0670 -0.0438 0.0080 233 VAL o CG1 +45182 C CG2 . VAL EA 231 ? 0.8007 0.7440 0.7060 0.0619 -0.0433 0.0102 233 VAL o CG2 +45183 N N . LYS EA 232 ? 0.7831 0.7531 0.7065 0.0712 -0.0502 0.0058 234 LYS o N +45184 C CA . LYS EA 232 ? 0.7561 0.7330 0.6837 0.0758 -0.0520 0.0044 234 LYS o CA +45185 C C . LYS EA 232 ? 0.7821 0.7637 0.7141 0.0767 -0.0497 0.0038 234 LYS o C +45186 O O . LYS EA 232 ? 0.7908 0.7767 0.7278 0.0729 -0.0473 0.0038 234 LYS o O +45187 C CB . LYS EA 232 ? 0.8526 0.8385 0.7874 0.0747 -0.0541 0.0032 234 LYS o CB +45188 C CG . LYS EA 232 ? 0.9322 0.9272 0.8733 0.0787 -0.0556 0.0015 234 LYS o CG +45189 C CD . LYS EA 232 ? 1.3538 1.3510 1.2951 0.0811 -0.0595 0.0007 234 LYS o CD +45190 C CE . LYS EA 232 ? 1.0318 1.0315 0.9760 0.0765 -0.0603 0.0007 234 LYS o CE +45191 N NZ . LYS EA 232 ? 1.4233 1.4216 1.3644 0.0790 -0.0641 0.0003 234 LYS o NZ +45192 N N . ILE EA 233 ? 0.8018 0.7825 0.7317 0.0818 -0.0502 0.0033 235 ILE o N +45193 C CA . ILE EA 233 ? 0.7854 0.7694 0.7182 0.0833 -0.0479 0.0027 235 ILE o CA +45194 C C . ILE EA 233 ? 0.8558 0.8489 0.7948 0.0876 -0.0496 0.0010 235 ILE o C +45195 O O . ILE EA 233 ? 0.8592 0.8510 0.7954 0.0920 -0.0524 0.0005 235 ILE o O +45196 C CB . ILE EA 233 ? 0.7819 0.7557 0.7061 0.0853 -0.0467 0.0037 235 ILE o CB +45197 C CG1 . ILE EA 233 ? 0.8054 0.7712 0.7245 0.0806 -0.0450 0.0052 235 ILE o CG1 +45198 C CG2 . ILE EA 233 ? 0.7269 0.7043 0.6541 0.0871 -0.0443 0.0030 235 ILE o CG2 +45199 C CD1 . ILE EA 233 ? 0.7844 0.7384 0.6934 0.0821 -0.0453 0.0064 235 ILE o CD1 +45200 N N . GLN EA 234 ? 0.8071 0.8095 0.7544 0.0864 -0.0478 0.0000 236 GLN o N +45201 C CA . GLN EA 234 ? 0.7569 0.7689 0.7110 0.0902 -0.0488 -0.0018 236 GLN o CA +45202 C C . GLN EA 234 ? 0.7681 0.7818 0.7237 0.0918 -0.0459 -0.0021 236 GLN o C +45203 O O . GLN EA 234 ? 0.8118 0.8223 0.7659 0.0886 -0.0429 -0.0012 236 GLN o O +45204 C CB . GLN EA 234 ? 0.7203 0.7431 0.6840 0.0872 -0.0494 -0.0029 236 GLN o CB +45205 C CG . GLN EA 234 ? 0.8340 0.8552 0.7962 0.0858 -0.0524 -0.0027 236 GLN o CG +45206 C CD . GLN EA 234 ? 0.8879 0.9181 0.8586 0.0816 -0.0526 -0.0035 236 GLN o CD +45207 O OE1 . GLN EA 234 ? 0.9732 1.0075 0.9488 0.0777 -0.0497 -0.0035 236 GLN o OE1 +45208 N NE2 . GLN EA 234 ? 0.9477 0.9808 0.9199 0.0824 -0.0559 -0.0043 236 GLN o NE2 +45209 N N . GLY EA 235 ? 0.7700 0.7886 0.7282 0.0970 -0.0469 -0.0035 237 GLY o N +45210 C CA . GLY EA 235 ? 0.7041 0.7243 0.6635 0.0991 -0.0442 -0.0040 237 GLY o CA +45211 C C . GLY EA 235 ? 0.7748 0.8006 0.7370 0.1054 -0.0459 -0.0056 237 GLY o C +45212 O O . GLY EA 235 ? 0.7160 0.7469 0.6815 0.1075 -0.0490 -0.0066 237 GLY o O +45213 N N . VAL EA 236 ? 0.7560 0.7807 0.7168 0.1084 -0.0438 -0.0058 238 VAL o N +45214 C CA . VAL EA 236 ? 0.7458 0.7755 0.7091 0.1146 -0.0449 -0.0074 238 VAL o CA +45215 C C . VAL EA 236 ? 0.8159 0.8345 0.7690 0.1191 -0.0453 -0.0066 238 VAL o C +45216 O O . VAL EA 236 ? 0.8098 0.8186 0.7556 0.1170 -0.0435 -0.0052 238 VAL o O +45217 C CB . VAL EA 236 ? 0.7824 0.8221 0.7542 0.1145 -0.0418 -0.0086 238 VAL o CB +45218 C CG1 . VAL EA 236 ? 0.7120 0.7627 0.6939 0.1101 -0.0415 -0.0095 238 VAL o CG1 +45219 C CG2 . VAL EA 236 ? 0.8473 0.8809 0.8148 0.1123 -0.0379 -0.0076 238 VAL o CG2 +45220 N N . PHE EA 237 ? 0.7123 0.7324 0.6649 0.1254 -0.0476 -0.0077 239 PHE o N +45221 C CA . PHE EA 237 ? 0.7549 0.7648 0.6980 0.1302 -0.0480 -0.0072 239 PHE o CA +45222 C C . PHE EA 237 ? 0.7396 0.7555 0.6862 0.1364 -0.0479 -0.0089 239 PHE o C +45223 O O . PHE EA 237 ? 0.7904 0.8184 0.7465 0.1377 -0.0486 -0.0106 239 PHE o O +45224 C CB . PHE EA 237 ? 0.8555 0.8568 0.7906 0.1323 -0.0517 -0.0064 239 PHE o CB +45225 C CG . PHE EA 237 ? 0.8108 0.8183 0.7492 0.1376 -0.0555 -0.0078 239 PHE o CG +45226 C CD1 . PHE EA 237 ? 0.7781 0.7834 0.7129 0.1446 -0.0568 -0.0086 239 PHE o CD1 +45227 C CD2 . PHE EA 237 ? 0.8078 0.8233 0.7527 0.1356 -0.0578 -0.0085 239 PHE o CD2 +45228 C CE1 . PHE EA 237 ? 0.9296 0.9408 0.8676 0.1496 -0.0604 -0.0100 239 PHE o CE1 +45229 C CE2 . PHE EA 237 ? 0.8892 0.9106 0.8372 0.1405 -0.0614 -0.0099 239 PHE o CE2 +45230 C CZ . PHE EA 237 ? 0.8272 0.8466 0.7718 0.1476 -0.0628 -0.0107 239 PHE o CZ +45231 N N . TYR EA 238 ? 0.8150 0.8222 0.7538 0.1401 -0.0471 -0.0085 240 TYR o N +45232 C CA . TYR EA 238 ? 0.8406 0.8508 0.7803 0.1467 -0.0472 -0.0099 240 TYR o CA +45233 C C . TYR EA 238 ? 0.7760 0.7738 0.7044 0.1515 -0.0492 -0.0091 240 TYR o C +45234 O O . TYR EA 238 ? 0.8510 0.8370 0.7705 0.1491 -0.0486 -0.0074 240 TYR o O +45235 C CB . TYR EA 238 ? 0.7497 0.7623 0.6920 0.1459 -0.0429 -0.0103 240 TYR o CB +45236 C CG . TYR EA 238 ? 0.7647 0.7759 0.7043 0.1526 -0.0425 -0.0113 240 TYR o CG +45237 C CD1 . TYR EA 238 ? 0.8416 0.8647 0.7900 0.1563 -0.0422 -0.0133 240 TYR o CD1 +45238 C CD2 . TYR EA 238 ? 0.8559 0.8539 0.7843 0.1551 -0.0422 -0.0103 240 TYR o CD2 +45239 C CE1 . TYR EA 238 ? 0.8718 0.8935 0.8177 0.1627 -0.0417 -0.0142 240 TYR o CE1 +45240 C CE2 . TYR EA 238 ? 0.9398 0.9361 0.8655 0.1614 -0.0418 -0.0112 240 TYR o CE2 +45241 C CZ . TYR EA 238 ? 0.8101 0.8183 0.7446 0.1652 -0.0415 -0.0132 240 TYR o CZ +45242 O OH . TYR EA 238 ? 0.9212 0.9275 0.8527 0.1715 -0.0410 -0.0141 240 TYR o OH +45243 N N . ALA EA 239 ? 0.9004 0.9007 0.8290 0.1584 -0.0516 -0.0104 241 ALA o N +45244 C CA . ALA EA 239 ? 1.0201 1.0086 0.9378 0.1636 -0.0533 -0.0098 241 ALA o CA +45245 C C . ALA EA 239 ? 0.8073 0.8001 0.7269 0.1710 -0.0537 -0.0115 241 ALA o C +45246 O O . ALA EA 239 ? 0.9148 0.9206 0.8444 0.1730 -0.0543 -0.0133 241 ALA o O +45247 C CB . ALA EA 239 ? 0.9442 0.9274 0.8568 0.1645 -0.0573 -0.0090 241 ALA o CB +45248 N N . SER EA 240 ? 0.8210 0.8029 0.7311 0.1751 -0.0534 -0.0110 242 SER o N +45249 C CA . SER EA 240 ? 0.9919 0.9759 0.9019 0.1828 -0.0541 -0.0125 242 SER o CA +45250 C C . SER EA 240 ? 1.0582 1.0312 0.9578 0.1881 -0.0576 -0.0118 242 SER o C +45251 O O . SER EA 240 ? 0.8753 0.8343 0.7639 0.1870 -0.0571 -0.0101 242 SER o O +45252 C CB . SER EA 240 ? 1.0090 0.9905 0.9173 0.1837 -0.0502 -0.0127 242 SER o CB +45253 O OG . SER EA 240 ? 1.0876 1.0545 0.9849 0.1814 -0.0487 -0.0110 242 SER o OG +45254 N N . ILE EA 241 ? 1.1014 1.0807 1.0044 0.1936 -0.0611 -0.0132 243 ILE o N +45255 C CA . ILE EA 241 ? 1.0873 1.0574 0.9810 0.1996 -0.0647 -0.0128 243 ILE o CA +45256 C C . ILE EA 241 ? 1.1224 1.0896 1.0125 0.2067 -0.0640 -0.0137 243 ILE o C +45257 O O . ILE EA 241 ? 1.1442 1.1221 1.0427 0.2091 -0.0627 -0.0155 243 ILE o O +45258 C CB . ILE EA 241 ? 1.0964 1.0747 0.9953 0.2021 -0.0691 -0.0138 243 ILE o CB +45259 C CG1 . ILE EA 241 ? 1.1662 1.1501 1.0710 0.1949 -0.0694 -0.0132 243 ILE o CG1 +45260 C CG2 . ILE EA 241 ? 1.0866 1.0538 0.9746 0.2075 -0.0728 -0.0130 243 ILE o CG2 +45261 C CD1 . ILE EA 241 ? 1.1884 1.1593 1.0836 0.1899 -0.0689 -0.0108 243 ILE o CD1 +45262 N N . GLU EA 242 ? 1.2315 1.1841 1.1091 0.2101 -0.0649 -0.0126 244 GLU o N +45263 C CA . GLU EA 242 ? 1.2647 1.2135 1.1377 0.2177 -0.0651 -0.0135 244 GLU o CA +45264 C C . GLU EA 242 ? 1.2468 1.1830 1.1081 0.2227 -0.0685 -0.0125 244 GLU o C +45265 O O . GLU EA 242 ? 1.1523 1.0781 1.0057 0.2191 -0.0693 -0.0107 244 GLU o O +45266 C CB . GLU EA 242 ? 1.0699 1.0120 0.9386 0.2164 -0.0608 -0.0131 244 GLU o CB +45267 C CG . GLU EA 242 ? 1.3077 1.2325 1.1634 0.2132 -0.0598 -0.0109 244 GLU o CG +45268 C CD . GLU EA 242 ? 1.2067 1.1265 1.0596 0.2112 -0.0556 -0.0107 244 GLU o CD +45269 O OE1 . GLU EA 242 ? 1.2524 1.1829 1.1141 0.2107 -0.0531 -0.0120 244 GLU o OE1 +45270 O OE2 . GLU EA 242 ? 1.5030 1.4083 1.3446 0.2100 -0.0547 -0.0092 244 GLU o OE2 +45271 N N . PRO EA 243 ? 1.1387 1.0755 0.9985 0.2310 -0.0707 -0.0138 245 PRO o N +45272 C CA . PRO EA 243 ? 1.0578 0.9821 0.9058 0.2362 -0.0740 -0.0129 245 PRO o CA +45273 C C . PRO EA 243 ? 1.0803 0.9877 0.9153 0.2363 -0.0718 -0.0114 245 PRO o C +45274 O O . PRO EA 243 ? 1.2940 1.2008 1.1292 0.2365 -0.0685 -0.0119 245 PRO o O +45275 C CB . PRO EA 243 ? 1.0525 0.9848 0.9047 0.2450 -0.0767 -0.0150 245 PRO o CB +45276 C CG . PRO EA 243 ? 1.0894 1.0330 0.9515 0.2451 -0.0734 -0.0167 245 PRO o CG +45277 C CD . PRO EA 243 ? 1.1060 1.0553 0.9750 0.2360 -0.0702 -0.0162 245 PRO o CD +45278 N N . ALA EA 244 ? 1.2001 1.0938 1.0236 0.2360 -0.0735 -0.0096 246 ALA o N +45279 C CA . ALA EA 244 ? 1.3003 1.1772 1.1112 0.2348 -0.0714 -0.0080 246 ALA o CA +45280 C C . ALA EA 244 ? 1.8072 1.6742 1.6082 0.2433 -0.0732 -0.0082 246 ALA o C +45281 O O . ALA EA 244 ? 1.8421 1.7095 1.6414 0.2490 -0.0770 -0.0085 246 ALA o O +45282 C CB . ALA EA 244 ? 1.3923 1.2593 1.1962 0.2287 -0.0717 -0.0057 246 ALA o CB +45283 O OXT . ALA EA 244 ? 1.9270 1.7852 1.7215 0.2448 -0.0708 -0.0080 246 ALA o OXT +45284 N N . FME FA 1 ? 0.6162 0.5494 0.5428 -0.0165 -0.0181 0.0195 1 FME t N +45285 C CN . FME FA 1 ? 0.6938 0.6286 0.6209 -0.0152 -0.0178 0.0195 1 FME t CN +45286 O O1 . FME FA 1 ? 0.6930 0.6287 0.6204 -0.0150 -0.0172 0.0196 1 FME t O1 +45287 C CA . FME FA 1 ? 0.7065 0.6396 0.6335 -0.0177 -0.0179 0.0195 1 FME t CA +45288 C CB . FME FA 1 ? 0.6579 0.5901 0.5851 -0.0191 -0.0183 0.0194 1 FME t CB +45289 C CG . FME FA 1 ? 0.7910 0.7202 0.7160 -0.0193 -0.0184 0.0191 1 FME t CG +45290 S SD . FME FA 1 ? 1.0065 0.9353 0.9322 -0.0208 -0.0186 0.0189 1 FME t SD +45291 C CE . FME FA 1 ? 0.8735 0.7992 0.7968 -0.0214 -0.0185 0.0184 1 FME t CE +45292 C C . FME FA 1 ? 0.6305 0.5617 0.5554 -0.0173 -0.0176 0.0194 1 FME t C +45293 O O . FME FA 1 ? 0.6689 0.6006 0.5941 -0.0177 -0.0173 0.0195 1 FME t O +45294 N N . GLU FA 2 ? 0.6523 0.5810 0.5747 -0.0165 -0.0177 0.0191 2 GLU t N +45295 C CA . GLU FA 2 ? 0.6141 0.5407 0.5342 -0.0162 -0.0175 0.0189 2 GLU t CA +45296 C C . GLU FA 2 ? 0.6229 0.5508 0.5431 -0.0149 -0.0169 0.0191 2 GLU t C +45297 O O . GLU FA 2 ? 0.6146 0.5420 0.5339 -0.0150 -0.0167 0.0190 2 GLU t O +45298 C CB . GLU FA 2 ? 0.6283 0.5515 0.5456 -0.0158 -0.0177 0.0185 2 GLU t CB +45299 C CG . GLU FA 2 ? 0.6602 0.5827 0.5762 -0.0141 -0.0176 0.0186 2 GLU t CG +45300 C CD . GLU FA 2 ? 0.7716 0.6947 0.6884 -0.0140 -0.0180 0.0187 2 GLU t CD +45301 O OE1 . GLU FA 2 ? 0.9270 0.8486 0.8421 -0.0127 -0.0181 0.0187 2 GLU t OE1 +45302 O OE2 . GLU FA 2 ? 0.7670 0.6918 0.6860 -0.0153 -0.0182 0.0188 2 GLU t OE2 +45303 N N . THR FA 3 ? 0.5894 0.5190 0.5105 -0.0137 -0.0167 0.0192 3 THR t N +45304 C CA . THR FA 3 ? 0.5641 0.4954 0.4856 -0.0125 -0.0159 0.0193 3 THR t CA +45305 C C . THR FA 3 ? 0.6163 0.5498 0.5396 -0.0135 -0.0154 0.0197 3 THR t C +45306 O O . THR FA 3 ? 0.6441 0.5774 0.5665 -0.0131 -0.0148 0.0198 3 THR t O +45307 C CB . THR FA 3 ? 0.6520 0.5855 0.5748 -0.0110 -0.0158 0.0193 3 THR t CB +45308 O OG1 . THR FA 3 ? 0.6965 0.6275 0.6171 -0.0099 -0.0163 0.0190 3 THR t OG1 +45309 C CG2 . THR FA 3 ? 0.6871 0.6225 0.6104 -0.0098 -0.0149 0.0194 3 THR t CG2 +45310 N N . ILE FA 4 ? 0.6279 0.5631 0.5536 -0.0147 -0.0157 0.0199 4 ILE t N +45311 C CA . ILE FA 4 ? 0.5908 0.5276 0.5181 -0.0157 -0.0152 0.0203 4 ILE t CA +45312 C C . ILE FA 4 ? 0.5609 0.4954 0.4861 -0.0162 -0.0154 0.0203 4 ILE t C +45313 O O . ILE FA 4 ? 0.7121 0.6468 0.6369 -0.0162 -0.0148 0.0206 4 ILE t O +45314 C CB . ILE FA 4 ? 0.6866 0.6250 0.6164 -0.0169 -0.0156 0.0204 4 ILE t CB +45315 C CG1 . ILE FA 4 ? 0.5911 0.5323 0.5232 -0.0164 -0.0156 0.0204 4 ILE t CG1 +45316 C CG2 . ILE FA 4 ? 0.6345 0.5734 0.5651 -0.0181 -0.0153 0.0208 4 ILE t CG2 +45317 C CD1 . ILE FA 4 ? 0.6626 0.6043 0.5961 -0.0174 -0.0163 0.0203 4 ILE t CD1 +45318 N N . THR FA 5 ? 0.7249 0.6574 0.6490 -0.0168 -0.0162 0.0199 5 THR t N +45319 C CA . THR FA 5 ? 0.6467 0.5773 0.5692 -0.0173 -0.0165 0.0198 5 THR t CA +45320 C C . THR FA 5 ? 0.6621 0.5913 0.5820 -0.0162 -0.0161 0.0196 5 THR t C +45321 O O . THR FA 5 ? 0.6591 0.5879 0.5781 -0.0163 -0.0159 0.0198 5 THR t O +45322 C CB . THR FA 5 ? 0.6396 0.5684 0.5614 -0.0181 -0.0174 0.0193 5 THR t CB +45323 O OG1 . THR FA 5 ? 0.6492 0.5792 0.5731 -0.0190 -0.0177 0.0194 5 THR t OG1 +45324 C CG2 . THR FA 5 ? 0.6793 0.6065 0.5996 -0.0186 -0.0179 0.0189 5 THR t CG2 +45325 N N . TYR FA 6 ? 0.6258 0.5540 0.5443 -0.0151 -0.0159 0.0194 6 TYR t N +45326 C CA . TYR FA 6 ? 0.6164 0.5430 0.5323 -0.0139 -0.0154 0.0192 6 TYR t CA +45327 C C . TYR FA 6 ? 0.6496 0.5780 0.5660 -0.0134 -0.0144 0.0197 6 TYR t C +45328 O O . TYR FA 6 ? 0.6626 0.5899 0.5771 -0.0132 -0.0141 0.0197 6 TYR t O +45329 C CB . TYR FA 6 ? 0.6470 0.5722 0.5614 -0.0126 -0.0153 0.0188 6 TYR t CB +45330 C CG . TYR FA 6 ? 0.6628 0.5855 0.5760 -0.0132 -0.0162 0.0184 6 TYR t CG +45331 C CD1 . TYR FA 6 ? 0.6118 0.5327 0.5240 -0.0145 -0.0169 0.0180 6 TYR t CD1 +45332 C CD2 . TYR FA 6 ? 0.5950 0.5171 0.5079 -0.0124 -0.0162 0.0183 6 TYR t CD2 +45333 C CE1 . TYR FA 6 ? 0.6206 0.5393 0.5319 -0.0152 -0.0174 0.0176 6 TYR t CE1 +45334 C CE2 . TYR FA 6 ? 0.6487 0.5682 0.5602 -0.0131 -0.0168 0.0180 6 TYR t CE2 +45335 C CZ . TYR FA 6 ? 0.6729 0.5907 0.5837 -0.0146 -0.0173 0.0176 6 TYR t CZ +45336 O OH . TYR FA 6 ? 0.6442 0.5594 0.5537 -0.0155 -0.0177 0.0172 6 TYR t OH +45337 N N . VAL FA 7 ? 0.6395 0.5708 0.5585 -0.0132 -0.0137 0.0200 7 VAL t N +45338 C CA . VAL FA 7 ? 0.6711 0.6043 0.5908 -0.0128 -0.0125 0.0205 7 VAL t CA +45339 C C . VAL FA 7 ? 0.6555 0.5888 0.5756 -0.0140 -0.0124 0.0209 7 VAL t C +45340 O O . VAL FA 7 ? 0.5998 0.5330 0.5187 -0.0138 -0.0115 0.0213 7 VAL t O +45341 C CB . VAL FA 7 ? 0.7635 0.7000 0.6863 -0.0124 -0.0119 0.0206 7 VAL t CB +45342 C CG1 . VAL FA 7 ? 0.6512 0.5901 0.5753 -0.0124 -0.0105 0.0210 7 VAL t CG1 +45343 C CG2 . VAL FA 7 ? 0.6436 0.5796 0.5654 -0.0107 -0.0121 0.0201 7 VAL t CG2 +45344 N N . PHE FA 8 ? 0.6477 0.5811 0.5691 -0.0153 -0.0133 0.0210 8 PHE t N +45345 C CA . PHE FA 8 ? 0.5848 0.5180 0.5063 -0.0163 -0.0134 0.0214 8 PHE t CA +45346 C C . PHE FA 8 ? 0.6562 0.5868 0.5745 -0.0160 -0.0137 0.0213 8 PHE t C +45347 O O . PHE FA 8 ? 0.7358 0.6660 0.6529 -0.0159 -0.0131 0.0217 8 PHE t O +45348 C CB . PHE FA 8 ? 0.5574 0.4909 0.4807 -0.0175 -0.0144 0.0213 8 PHE t CB +45349 C CG . PHE FA 8 ? 0.7102 0.6430 0.6332 -0.0183 -0.0148 0.0216 8 PHE t CG +45350 C CD1 . PHE FA 8 ? 0.6625 0.5963 0.5865 -0.0188 -0.0140 0.0223 8 PHE t CD1 +45351 C CD2 . PHE FA 8 ? 0.7337 0.6647 0.6554 -0.0186 -0.0159 0.0212 8 PHE t CD2 +45352 C CE1 . PHE FA 8 ? 0.7797 0.7125 0.7031 -0.0193 -0.0143 0.0226 8 PHE t CE1 +45353 C CE2 . PHE FA 8 ? 0.7595 0.6900 0.6810 -0.0190 -0.0164 0.0215 8 PHE t CE2 +45354 C CZ . PHE FA 8 ? 0.7985 0.7297 0.7206 -0.0193 -0.0156 0.0222 8 PHE t CZ +45355 N N . ILE FA 9 ? 0.6674 0.5961 0.5841 -0.0158 -0.0147 0.0206 9 ILE t N +45356 C CA . ILE FA 9 ? 0.6561 0.5824 0.5698 -0.0155 -0.0153 0.0203 9 ILE t CA +45357 C C . ILE FA 9 ? 0.6672 0.5927 0.5784 -0.0143 -0.0141 0.0205 9 ILE t C +45358 O O . ILE FA 9 ? 0.6603 0.5846 0.5695 -0.0141 -0.0140 0.0207 9 ILE t O +45359 C CB . ILE FA 9 ? 0.7051 0.6295 0.6177 -0.0157 -0.0164 0.0195 9 ILE t CB +45360 C CG1 . ILE FA 9 ? 0.6186 0.5438 0.5335 -0.0170 -0.0174 0.0193 9 ILE t CG1 +45361 C CG2 . ILE FA 9 ? 0.6175 0.5396 0.5270 -0.0153 -0.0170 0.0190 9 ILE t CG2 +45362 C CD1 . ILE FA 9 ? 0.7019 0.6255 0.6161 -0.0174 -0.0183 0.0185 9 ILE t CD1 +45363 N N . PHE FA 10 ? 0.6414 0.5674 0.5527 -0.0133 -0.0133 0.0204 10 PHE t N +45364 C CA . PHE FA 10 ? 0.6264 0.5521 0.5357 -0.0121 -0.0120 0.0205 10 PHE t CA +45365 C C . PHE FA 10 ? 0.6831 0.6103 0.5931 -0.0123 -0.0108 0.0213 10 PHE t C +45366 O O . PHE FA 10 ? 0.6484 0.5740 0.5555 -0.0118 -0.0101 0.0215 10 PHE t O +45367 C CB . PHE FA 10 ? 0.6300 0.5568 0.5402 -0.0109 -0.0113 0.0202 10 PHE t CB +45368 C CG . PHE FA 10 ? 0.6504 0.5773 0.5589 -0.0095 -0.0098 0.0203 10 PHE t CG +45369 C CD1 . PHE FA 10 ? 0.7876 0.7117 0.6924 -0.0084 -0.0098 0.0198 10 PHE t CD1 +45370 C CD2 . PHE FA 10 ? 0.7250 0.6550 0.6359 -0.0093 -0.0083 0.0208 10 PHE t CD2 +45371 C CE1 . PHE FA 10 ? 0.7767 0.7008 0.6798 -0.0070 -0.0083 0.0199 10 PHE t CE1 +45372 C CE2 . PHE FA 10 ? 0.7503 0.6808 0.6601 -0.0079 -0.0067 0.0208 10 PHE t CE2 +45373 C CZ . PHE FA 10 ? 0.7216 0.6490 0.6273 -0.0067 -0.0067 0.0204 10 PHE t CZ +45374 N N . ALA FA 11 ? 0.6328 0.5625 0.5461 -0.0132 -0.0104 0.0217 11 ALA t N +45375 C CA . ALA FA 11 ? 0.6166 0.5477 0.5307 -0.0137 -0.0090 0.0225 11 ALA t CA +45376 C C . ALA FA 11 ? 0.7080 0.6370 0.6200 -0.0143 -0.0095 0.0229 11 ALA t C +45377 O O . ALA FA 11 ? 0.7274 0.6558 0.6377 -0.0142 -0.0083 0.0235 11 ALA t O +45378 C CB . ALA FA 11 ? 0.6128 0.5469 0.5309 -0.0147 -0.0087 0.0228 11 ALA t CB +45379 N N . CYS FA 12 ? 0.6072 0.5350 0.5191 -0.0149 -0.0112 0.0226 12 CYS t N +45380 C CA . CYS FA 12 ? 0.6628 0.5885 0.5726 -0.0152 -0.0119 0.0229 12 CYS t CA +45381 C C . CYS FA 12 ? 0.7646 0.6879 0.6703 -0.0141 -0.0118 0.0227 12 CYS t C +45382 O O . CYS FA 12 ? 0.7052 0.6269 0.6084 -0.0139 -0.0115 0.0232 12 CYS t O +45383 C CB . CYS FA 12 ? 0.6123 0.5377 0.5231 -0.0158 -0.0138 0.0224 12 CYS t CB +45384 S SG . CYS FA 12 ? 0.6605 0.5881 0.5753 -0.0171 -0.0140 0.0227 12 CYS t SG +45385 N N . ILE FA 13 ? 0.6173 0.5398 0.5217 -0.0132 -0.0121 0.0220 13 ILE t N +45386 C CA . ILE FA 13 ? 0.6511 0.5709 0.5513 -0.0122 -0.0121 0.0216 13 ILE t CA +45387 C C . ILE FA 13 ? 0.6248 0.5446 0.5233 -0.0114 -0.0101 0.0223 13 ILE t C +45388 O O . ILE FA 13 ? 0.6951 0.6125 0.5899 -0.0108 -0.0099 0.0225 13 ILE t O +45389 C CB . ILE FA 13 ? 0.6172 0.5360 0.5165 -0.0115 -0.0129 0.0207 13 ILE t CB +45390 C CG1 . ILE FA 13 ? 0.5963 0.5144 0.4963 -0.0124 -0.0149 0.0199 13 ILE t CG1 +45391 C CG2 . ILE FA 13 ? 0.6329 0.5490 0.5278 -0.0102 -0.0125 0.0203 13 ILE t CG2 +45392 C CD1 . ILE FA 13 ? 0.6195 0.5366 0.5192 -0.0121 -0.0154 0.0191 13 ILE t CD1 +45393 N N . ILE FA 14 ? 0.6744 0.5967 0.5754 -0.0113 -0.0085 0.0226 14 ILE t N +45394 C CA . ILE FA 14 ? 0.7228 0.6456 0.6228 -0.0108 -0.0063 0.0232 14 ILE t CA +45395 C C . ILE FA 14 ? 0.7651 0.6874 0.6645 -0.0116 -0.0056 0.0241 14 ILE t C +45396 O O . ILE FA 14 ? 0.7419 0.6625 0.6380 -0.0111 -0.0044 0.0246 14 ILE t O +45397 C CB . ILE FA 14 ? 0.7182 0.6445 0.6218 -0.0106 -0.0049 0.0232 14 ILE t CB +45398 C CG1 . ILE FA 14 ? 0.6906 0.6170 0.5945 -0.0096 -0.0056 0.0223 14 ILE t CG1 +45399 C CG2 . ILE FA 14 ? 0.8218 0.7491 0.7247 -0.0101 -0.0024 0.0237 14 ILE t CG2 +45400 C CD1 . ILE FA 14 ? 0.6100 0.5336 0.5097 -0.0081 -0.0055 0.0217 14 ILE t CD1 +45401 N N . ALA FA 15 ? 0.6261 0.5496 0.5283 -0.0129 -0.0064 0.0244 15 ALA t N +45402 C CA . ALA FA 15 ? 0.6520 0.5744 0.5533 -0.0137 -0.0060 0.0253 15 ALA t CA +45403 C C . ALA FA 15 ? 0.7388 0.6576 0.6356 -0.0131 -0.0071 0.0253 15 ALA t C +45404 O O . ALA FA 15 ? 0.6868 0.6037 0.5807 -0.0130 -0.0062 0.0261 15 ALA t O +45405 C CB . ALA FA 15 ? 0.5953 0.5193 0.5002 -0.0151 -0.0070 0.0254 15 ALA t CB +45406 N N . LEU FA 16 ? 0.6263 0.5440 0.5222 -0.0126 -0.0092 0.0244 16 LEU t N +45407 C CA . LEU FA 16 ? 0.6778 0.5924 0.5697 -0.0120 -0.0106 0.0243 16 LEU t CA +45408 C C . LEU FA 16 ? 0.7074 0.6197 0.5948 -0.0108 -0.0094 0.0243 16 LEU t C +45409 O O . LEU FA 16 ? 0.6946 0.6042 0.5782 -0.0103 -0.0095 0.0248 16 LEU t O +45410 C CB . LEU FA 16 ? 0.6422 0.5566 0.5348 -0.0120 -0.0129 0.0232 16 LEU t CB +45411 C CG . LEU FA 16 ? 0.8624 0.7739 0.7511 -0.0113 -0.0147 0.0227 16 LEU t CG +45412 C CD1 . LEU FA 16 ? 0.7932 0.7037 0.6809 -0.0114 -0.0152 0.0234 16 LEU t CD1 +45413 C CD2 . LEU FA 16 ? 0.8440 0.7557 0.7338 -0.0115 -0.0168 0.0215 16 LEU t CD2 +45414 N N . PHE FA 17 ? 0.6404 0.5536 0.5280 -0.0101 -0.0083 0.0239 17 PHE t N +45415 C CA . PHE FA 17 ? 0.6987 0.6100 0.5823 -0.0089 -0.0067 0.0240 17 PHE t CA +45416 C C . PHE FA 17 ? 0.7770 0.6879 0.6593 -0.0092 -0.0047 0.0252 17 PHE t C +45417 O O . PHE FA 17 ? 0.7681 0.6760 0.6456 -0.0084 -0.0042 0.0256 17 PHE t O +45418 C CB . PHE FA 17 ? 0.6234 0.5366 0.5085 -0.0082 -0.0054 0.0236 17 PHE t CB +45419 C CG . PHE FA 17 ? 0.6834 0.5961 0.5686 -0.0077 -0.0070 0.0224 17 PHE t CG +45420 C CD1 . PHE FA 17 ? 0.6779 0.5888 0.5619 -0.0079 -0.0095 0.0217 17 PHE t CD1 +45421 C CD2 . PHE FA 17 ? 0.6213 0.5354 0.5076 -0.0069 -0.0061 0.0219 17 PHE t CD2 +45422 C CE1 . PHE FA 17 ? 0.6858 0.5959 0.5696 -0.0076 -0.0108 0.0206 17 PHE t CE1 +45423 C CE2 . PHE FA 17 ? 0.6834 0.5965 0.5693 -0.0064 -0.0074 0.0209 17 PHE t CE2 +45424 C CZ . PHE FA 17 ? 0.6684 0.5794 0.5530 -0.0069 -0.0097 0.0202 17 PHE t CZ +45425 N N . PHE FA 18 ? 0.7186 0.6322 0.6048 -0.0104 -0.0035 0.0259 18 PHE t N +45426 C CA . PHE FA 18 ? 0.6961 0.6094 0.5814 -0.0109 -0.0013 0.0270 18 PHE t CA +45427 C C . PHE FA 18 ? 0.7755 0.6853 0.6571 -0.0110 -0.0023 0.0277 18 PHE t C +45428 O O . PHE FA 18 ? 0.6866 0.5937 0.5639 -0.0105 -0.0009 0.0284 18 PHE t O +45429 C CB . PHE FA 18 ? 0.6936 0.6106 0.5843 -0.0124 -0.0003 0.0274 18 PHE t CB +45430 C CG . PHE FA 18 ? 0.7143 0.6310 0.6045 -0.0133 0.0020 0.0286 18 PHE t CG +45431 C CD1 . PHE FA 18 ? 0.8754 0.7932 0.7652 -0.0131 0.0048 0.0288 18 PHE t CD1 +45432 C CD2 . PHE FA 18 ? 0.8218 0.7370 0.7116 -0.0144 0.0016 0.0293 18 PHE t CD2 +45433 C CE1 . PHE FA 18 ? 0.7790 0.6965 0.6683 -0.0142 0.0072 0.0299 18 PHE t CE1 +45434 C CE2 . PHE FA 18 ? 0.7807 0.6952 0.6696 -0.0154 0.0039 0.0304 18 PHE t CE2 +45435 C CZ . PHE FA 18 ? 0.7044 0.6200 0.5931 -0.0154 0.0067 0.0307 18 PHE t CZ +45436 N N . PHE FA 19 ? 0.6554 0.5649 0.5382 -0.0114 -0.0046 0.0275 19 PHE t N +45437 C CA . PHE FA 19 ? 0.6701 0.5764 0.5495 -0.0113 -0.0057 0.0280 19 PHE t CA +45438 C C . PHE FA 19 ? 0.7082 0.6111 0.5823 -0.0097 -0.0069 0.0276 19 PHE t C +45439 O O . PHE FA 19 ? 0.7287 0.6283 0.5983 -0.0092 -0.0068 0.0283 19 PHE t O +45440 C CB . PHE FA 19 ? 0.7669 0.6743 0.6495 -0.0121 -0.0078 0.0278 19 PHE t CB +45441 C CG . PHE FA 19 ? 0.7615 0.6712 0.6481 -0.0135 -0.0065 0.0284 19 PHE t CG +45442 C CD1 . PHE FA 19 ? 0.7576 0.6657 0.6427 -0.0142 -0.0050 0.0296 19 PHE t CD1 +45443 C CD2 . PHE FA 19 ? 0.8056 0.7189 0.6973 -0.0144 -0.0067 0.0279 19 PHE t CD2 +45444 C CE1 . PHE FA 19 ? 0.8865 0.7966 0.7753 -0.0157 -0.0038 0.0301 19 PHE t CE1 +45445 C CE2 . PHE FA 19 ? 0.7724 0.6879 0.6678 -0.0157 -0.0056 0.0284 19 PHE t CE2 +45446 C CZ . PHE FA 19 ? 0.7946 0.7086 0.6887 -0.0165 -0.0042 0.0294 19 PHE t CZ +45447 N N . ALA FA 20 ? 0.6479 0.5514 0.5223 -0.0091 -0.0082 0.0264 20 ALA t N +45448 C CA . ALA FA 20 ? 0.7190 0.6193 0.5884 -0.0077 -0.0097 0.0257 20 ALA t CA +45449 C C . ALA FA 20 ? 0.7643 0.6622 0.6289 -0.0067 -0.0076 0.0263 20 ALA t C +45450 O O . ALA FA 20 ? 0.7188 0.6132 0.5781 -0.0057 -0.0084 0.0262 20 ALA t O +45451 C CB . ALA FA 20 ? 0.6109 0.5123 0.4818 -0.0075 -0.0113 0.0243 20 ALA t CB +45452 N N . ILE FA 21 ? 0.6876 0.5874 0.5538 -0.0070 -0.0048 0.0267 21 ILE t N +45453 C CA . ILE FA 21 ? 0.7059 0.6036 0.5677 -0.0061 -0.0024 0.0272 21 ILE t CA +45454 C C . ILE FA 21 ? 0.8153 0.7114 0.6752 -0.0067 -0.0006 0.0286 21 ILE t C +45455 O O . ILE FA 21 ? 0.7805 0.6728 0.6346 -0.0057 -0.0003 0.0291 21 ILE t O +45456 C CB . ILE FA 21 ? 0.6619 0.5626 0.5265 -0.0060 -0.0003 0.0268 21 ILE t CB +45457 C CG1 . ILE FA 21 ? 0.6911 0.5918 0.5556 -0.0050 -0.0019 0.0254 21 ILE t CG1 +45458 C CG2 . ILE FA 21 ? 0.7231 0.6224 0.5842 -0.0054 0.0028 0.0276 21 ILE t CG2 +45459 C CD1 . ILE FA 21 ? 0.7530 0.6567 0.6206 -0.0047 -0.0003 0.0250 21 ILE t CD1 +45460 N N . PHE FA 22 ? 0.6780 0.5767 0.5422 -0.0082 0.0006 0.0294 22 PHE t N +45461 C CA . PHE FA 22 ? 0.7931 0.6902 0.6554 -0.0089 0.0028 0.0308 22 PHE t CA +45462 C C . PHE FA 22 ? 0.7491 0.6434 0.6096 -0.0092 0.0011 0.0314 22 PHE t C +45463 O O . PHE FA 22 ? 0.7704 0.6618 0.6273 -0.0094 0.0025 0.0326 22 PHE t O +45464 C CB . PHE FA 22 ? 0.7295 0.6306 0.5972 -0.0105 0.0053 0.0312 22 PHE t CB +45465 C CG . PHE FA 22 ? 0.8605 0.7642 0.7295 -0.0100 0.0074 0.0307 22 PHE t CG +45466 C CD1 . PHE FA 22 ? 0.7363 0.6380 0.6011 -0.0093 0.0100 0.0312 22 PHE t CD1 +45467 C CD2 . PHE FA 22 ? 0.7555 0.6632 0.6296 -0.0101 0.0067 0.0297 22 PHE t CD2 +45468 C CE1 . PHE FA 22 ? 0.8543 0.7586 0.7204 -0.0087 0.0119 0.0307 22 PHE t CE1 +45469 C CE2 . PHE FA 22 ? 0.8256 0.7356 0.7007 -0.0093 0.0085 0.0292 22 PHE t CE2 +45470 C CZ . PHE FA 22 ? 0.8295 0.7379 0.7008 -0.0086 0.0111 0.0296 22 PHE t CZ +45471 N N . PHE FA 23 ? 0.6738 0.5689 0.5364 -0.0091 -0.0019 0.0306 23 PHE t N +45472 C CA . PHE FA 23 ? 0.6859 0.5785 0.5468 -0.0091 -0.0038 0.0311 23 PHE t CA +45473 C C . PHE FA 23 ? 0.7372 0.6281 0.5955 -0.0077 -0.0070 0.0301 23 PHE t C +45474 O O . PHE FA 23 ? 0.7102 0.6013 0.5701 -0.0077 -0.0094 0.0298 23 PHE t O +45475 C CB . PHE FA 23 ? 0.7286 0.6239 0.5949 -0.0106 -0.0042 0.0313 23 PHE t CB +45476 C CG . PHE FA 23 ? 1.0106 0.9073 0.8792 -0.0121 -0.0012 0.0323 23 PHE t CG +45477 C CD1 . PHE FA 23 ? 1.0061 0.8997 0.8714 -0.0126 0.0004 0.0336 23 PHE t CD1 +45478 C CD2 . PHE FA 23 ? 0.7873 0.6884 0.6611 -0.0131 0.0001 0.0318 23 PHE t CD2 +45479 C CE1 . PHE FA 23 ? 1.1117 1.0066 0.9792 -0.0142 0.0033 0.0344 23 PHE t CE1 +45480 C CE2 . PHE FA 23 ? 0.8908 0.7936 0.7670 -0.0146 0.0028 0.0326 23 PHE t CE2 +45481 C CZ . PHE FA 23 ? 1.0706 0.9704 0.9438 -0.0153 0.0045 0.0338 23 PHE t CZ +45482 N N A ARG FA 24 ? 0.6905 0.5796 0.5448 -0.0064 -0.0070 0.0296 24 ARG t N +45483 N N B ARG FA 24 ? 0.6902 0.5793 0.5444 -0.0064 -0.0070 0.0296 24 ARG t N +45484 C CA A ARG FA 24 ? 0.7697 0.6566 0.6207 -0.0050 -0.0100 0.0286 24 ARG t CA +45485 C CA B ARG FA 24 ? 0.7703 0.6572 0.6213 -0.0050 -0.0099 0.0287 24 ARG t CA +45486 C C A ARG FA 24 ? 0.7692 0.6520 0.6151 -0.0041 -0.0109 0.0295 24 ARG t C +45487 C C B ARG FA 24 ? 0.7689 0.6516 0.6147 -0.0041 -0.0109 0.0295 24 ARG t C +45488 O O A ARG FA 24 ? 0.7757 0.6564 0.6192 -0.0044 -0.0089 0.0308 24 ARG t O +45489 O O B ARG FA 24 ? 0.7760 0.6567 0.6195 -0.0044 -0.0089 0.0308 24 ARG t O +45490 C CB A ARG FA 24 ? 0.7327 0.6185 0.5804 -0.0039 -0.0095 0.0279 24 ARG t CB +45491 C CB B ARG FA 24 ? 0.7315 0.6173 0.5792 -0.0039 -0.0095 0.0279 24 ARG t CB +45492 C CG A ARG FA 24 ? 0.7547 0.6369 0.5964 -0.0031 -0.0070 0.0289 24 ARG t CG +45493 C CG B ARG FA 24 ? 0.7540 0.6365 0.5961 -0.0032 -0.0069 0.0289 24 ARG t CG +45494 C CD A ARG FA 24 ? 0.7833 0.6642 0.6215 -0.0019 -0.0067 0.0280 24 ARG t CD +45495 C CD B ARG FA 24 ? 0.7839 0.6650 0.6224 -0.0019 -0.0067 0.0280 24 ARG t CD +45496 N NE A ARG FA 24 ? 0.7863 0.6636 0.6184 -0.0010 -0.0043 0.0290 24 ARG t NE +45497 N NE B ARG FA 24 ? 0.7846 0.6623 0.6172 -0.0010 -0.0042 0.0289 24 ARG t NE +45498 C CZ A ARG FA 24 ? 0.8869 0.7620 0.7145 0.0003 -0.0037 0.0284 24 ARG t CZ +45499 C CZ B ARG FA 24 ? 0.8894 0.7646 0.7171 0.0003 -0.0038 0.0284 24 ARG t CZ +45500 N NH1 A ARG FA 24 ? 0.7579 0.6339 0.5862 0.0009 -0.0054 0.0269 24 ARG t NH1 +45501 N NH1 B ARG FA 24 ? 0.7550 0.6307 0.5829 0.0010 -0.0057 0.0269 24 ARG t NH1 +45502 N NH2 A ARG FA 24 ? 0.8914 0.7631 0.7134 0.0011 -0.0014 0.0294 24 ARG t NH2 +45503 N NH2 B ARG FA 24 ? 0.8926 0.7645 0.7148 0.0010 -0.0014 0.0294 24 ARG t NH2 +45504 N N . GLU FA 25 ? 0.8393 0.7208 0.6834 -0.0031 -0.0141 0.0286 25 GLU t N +45505 C CA . GLU FA 25 ? 1.0199 0.8970 0.8578 -0.0016 -0.0153 0.0291 25 GLU t CA +45506 C C . GLU FA 25 ? 0.8583 0.7321 0.6901 -0.0006 -0.0136 0.0294 25 GLU t C +45507 O O . GLU FA 25 ? 0.8689 0.7431 0.7000 0.0000 -0.0141 0.0283 25 GLU t O +45508 C CB . GLU FA 25 ? 1.0067 0.8837 0.8442 -0.0006 -0.0193 0.0278 25 GLU t CB +45509 C CG . GLU FA 25 ? 1.0418 0.9221 0.8852 -0.0014 -0.0213 0.0272 25 GLU t CG +45510 C CD . GLU FA 25 ? 1.3438 1.2239 1.1863 -0.0002 -0.0251 0.0259 25 GLU t CD +45511 O OE1 . GLU FA 25 ? 1.3480 1.2249 1.1862 0.0012 -0.0265 0.0263 25 GLU t OE1 +45512 O OE2 . GLU FA 25 ? 0.9002 0.7831 0.7461 -0.0007 -0.0266 0.0243 25 GLU t OE2 +45513 N N . PRO FA 26 ? 0.9755 0.8457 0.8026 -0.0003 -0.0113 0.0309 26 PRO t N +45514 C CA . PRO FA 26 ? 0.9601 0.8272 0.7813 0.0007 -0.0094 0.0312 26 PRO t CA +45515 C C . PRO FA 26 ? 0.9397 0.8035 0.7553 0.0027 -0.0123 0.0303 26 PRO t C +45516 O O . PRO FA 26 ? 0.9966 0.8584 0.8102 0.0035 -0.0150 0.0303 26 PRO t O +45517 C CB . PRO FA 26 ? 0.9344 0.7983 0.7520 0.0004 -0.0066 0.0331 26 PRO t CB +45518 C CG . PRO FA 26 ? 1.0516 0.9173 0.8739 -0.0010 -0.0068 0.0337 26 PRO t CG +45519 C CD . PRO FA 26 ? 0.7926 0.6612 0.6192 -0.0008 -0.0105 0.0323 26 PRO t CD +45520 N N A PRO FA 27 ? 0.8577 0.7207 0.6705 0.0035 -0.0121 0.0294 27 PRO t N +45521 N N B PRO FA 27 ? 0.8549 0.7180 0.6679 0.0035 -0.0122 0.0293 27 PRO t N +45522 C CA A PRO FA 27 ? 1.0332 0.8925 0.8398 0.0054 -0.0147 0.0285 27 PRO t CA +45523 C CA B PRO FA 27 ? 1.0335 0.8929 0.8403 0.0054 -0.0148 0.0285 27 PRO t CA +45524 C C A PRO FA 27 ? 1.0085 0.8622 0.8072 0.0066 -0.0135 0.0300 27 PRO t C +45525 C C B PRO FA 27 ? 1.0087 0.8625 0.8076 0.0066 -0.0136 0.0299 27 PRO t C +45526 O O A PRO FA 27 ? 1.0444 0.8967 0.8411 0.0062 -0.0098 0.0312 27 PRO t O +45527 O O B PRO FA 27 ? 1.0457 0.8982 0.8426 0.0062 -0.0099 0.0312 27 PRO t O +45528 C CB A PRO FA 27 ? 0.9635 0.8235 0.7697 0.0057 -0.0143 0.0272 27 PRO t CB +45529 C CB B PRO FA 27 ? 0.9640 0.8241 0.7703 0.0057 -0.0143 0.0272 27 PRO t CB +45530 C CG A PRO FA 27 ? 0.9434 0.8059 0.7530 0.0045 -0.0104 0.0280 27 PRO t CG +45531 C CG B PRO FA 27 ? 0.9427 0.8055 0.7527 0.0044 -0.0105 0.0279 27 PRO t CG +45532 C CD A PRO FA 27 ? 0.9328 0.7983 0.7481 0.0028 -0.0096 0.0290 27 PRO t CD +45533 C CD B PRO FA 27 ? 0.9329 0.7988 0.7488 0.0028 -0.0099 0.0288 27 PRO t CD +45534 N N A ARG FA 28 ? 0.9191 0.7697 0.7134 0.0081 -0.0165 0.0298 28 ARG t N +45535 N N B ARG FA 28 ? 0.9162 0.7670 0.7107 0.0081 -0.0167 0.0297 28 ARG t N +45536 C CA A ARG FA 28 ? 1.0339 0.8787 0.8202 0.0095 -0.0158 0.0311 28 ARG t CA +45537 C CA B ARG FA 28 ? 1.0336 0.8785 0.8201 0.0095 -0.0160 0.0311 28 ARG t CA +45538 C C A ARG FA 28 ? 1.0229 0.8640 0.8024 0.0116 -0.0185 0.0301 28 ARG t C +45539 C C B ARG FA 28 ? 1.0224 0.8637 0.8021 0.0116 -0.0187 0.0300 28 ARG t C +45540 O O A ARG FA 28 ? 1.0992 0.9417 0.8803 0.0123 -0.0224 0.0285 28 ARG t O +45541 O O B ARG FA 28 ? 1.0999 0.9427 0.8813 0.0122 -0.0225 0.0284 28 ARG t O +45542 C CB A ARG FA 28 ? 1.0244 0.8682 0.8113 0.0095 -0.0171 0.0322 28 ARG t CB +45543 C CB B ARG FA 28 ? 1.0236 0.8676 0.8107 0.0095 -0.0172 0.0321 28 ARG t CB +45544 C CG A ARG FA 28 ? 1.0293 0.8757 0.8216 0.0074 -0.0142 0.0334 28 ARG t CG +45545 C CG B ARG FA 28 ? 1.0283 0.8748 0.8207 0.0074 -0.0143 0.0334 28 ARG t CG +45546 C CD A ARG FA 28 ? 1.1955 1.0380 0.9829 0.0071 -0.0102 0.0353 28 ARG t CD +45547 C CD B ARG FA 28 ? 1.1969 1.0394 0.9843 0.0072 -0.0103 0.0353 28 ARG t CD +45548 N NE A ARG FA 28 ? 1.2186 1.0637 1.0114 0.0049 -0.0074 0.0364 28 ARG t NE +45549 N NE B ARG FA 28 ? 1.2204 1.0654 1.0129 0.0050 -0.0074 0.0364 28 ARG t NE +45550 C CZ A ARG FA 28 ? 1.1870 1.0353 0.9837 0.0033 -0.0041 0.0366 28 ARG t CZ +45551 C CZ B ARG FA 28 ? 1.1887 1.0367 0.9849 0.0034 -0.0041 0.0366 28 ARG t CZ +45552 N NH1 A ARG FA 28 ? 1.1078 0.9570 0.9036 0.0037 -0.0030 0.0358 28 ARG t NH1 +45553 N NH1 B ARG FA 28 ? 1.1081 0.9571 0.9036 0.0038 -0.0030 0.0358 28 ARG t NH1 +45554 N NH2 A ARG FA 28 ? 1.0994 0.9501 0.9010 0.0013 -0.0020 0.0375 28 ARG t NH2 +45555 N NH2 B ARG FA 28 ? 1.0993 0.9495 0.9001 0.0014 -0.0018 0.0375 28 ARG t NH2 +45556 N N A ILE FA 29 ? 1.0719 0.9084 0.8439 0.0127 -0.0164 0.0308 29 ILE t N +45557 N N B ILE FA 29 ? 1.0705 0.9070 0.8426 0.0127 -0.0166 0.0307 29 ILE t N +45558 C CA A ILE FA 29 ? 1.2421 1.0744 1.0068 0.0149 -0.0189 0.0299 29 ILE t CA +45559 C CA B ILE FA 29 ? 1.2429 1.0754 1.0078 0.0149 -0.0190 0.0298 29 ILE t CA +45560 C C A ILE FA 29 ? 1.2505 1.0793 1.0107 0.0165 -0.0218 0.0303 29 ILE t C +45561 C C B ILE FA 29 ? 1.2504 1.0792 1.0106 0.0165 -0.0220 0.0302 29 ILE t C +45562 O O A ILE FA 29 ? 1.2062 1.0327 0.9647 0.0164 -0.0204 0.0321 29 ILE t O +45563 O O B ILE FA 29 ? 1.2043 1.0310 0.9631 0.0164 -0.0206 0.0320 29 ILE t O +45564 C CB A ILE FA 29 ? 1.2180 1.0464 0.9758 0.0156 -0.0155 0.0305 29 ILE t CB +45565 C CB B ILE FA 29 ? 1.2180 1.0464 0.9759 0.0156 -0.0156 0.0305 29 ILE t CB +45566 C CG1 A ILE FA 29 ? 1.2503 1.0826 1.0132 0.0141 -0.0122 0.0302 29 ILE t CG1 +45567 C CG1 B ILE FA 29 ? 1.2514 1.0838 1.0144 0.0141 -0.0123 0.0302 29 ILE t CG1 +45568 C CG2 A ILE FA 29 ? 1.2395 1.0640 0.9901 0.0178 -0.0181 0.0292 29 ILE t CG2 +45569 C CG2 B ILE FA 29 ? 1.2397 1.0642 0.9904 0.0178 -0.0182 0.0292 29 ILE t CG2 +45570 C CD1 A ILE FA 29 ? 1.3250 1.1538 1.0814 0.0150 -0.0091 0.0305 29 ILE t CD1 +45571 C CD1 B ILE FA 29 ? 1.3265 1.1555 1.0832 0.0149 -0.0091 0.0306 29 ILE t CD1 +45572 N N A THR FA 30 ? 1.5154 1.3435 1.2734 0.0180 -0.0261 0.0287 30 THR t N +45573 N N B THR FA 30 ? 1.5141 1.3422 1.2721 0.0180 -0.0262 0.0286 30 THR t N +45574 C CA A THR FA 30 ? 1.7795 1.6035 1.5316 0.0202 -0.0292 0.0289 30 THR t CA +45575 C CA B THR FA 30 ? 1.7826 1.6066 1.5348 0.0202 -0.0293 0.0289 30 THR t CA +45576 C C A THR FA 30 ? 1.7777 1.5983 1.5229 0.0222 -0.0319 0.0275 30 THR t C +45577 C C B THR FA 30 ? 1.7790 1.5997 1.5244 0.0222 -0.0320 0.0274 30 THR t C +45578 O O A THR FA 30 ? 1.7351 1.5568 1.4808 0.0218 -0.0316 0.0262 30 THR t O +45579 O O B THR FA 30 ? 1.7406 1.5629 1.4870 0.0218 -0.0321 0.0260 30 THR t O +45580 C CB A THR FA 30 ? 1.7582 1.5858 1.5163 0.0200 -0.0328 0.0282 30 THR t CB +45581 C CB B THR FA 30 ? 1.7593 1.5870 1.5175 0.0200 -0.0329 0.0282 30 THR t CB +45582 O OG1 A THR FA 30 ? 1.7891 1.6226 1.5549 0.0186 -0.0343 0.0263 30 THR t OG1 +45583 O OG1 B THR FA 30 ? 1.7931 1.6265 1.5588 0.0187 -0.0347 0.0262 30 THR t OG1 +45584 C CG2 A THR FA 30 ? 1.7442 1.5724 1.5055 0.0189 -0.0307 0.0300 30 THR t CG2 +45585 C CG2 B THR FA 30 ? 1.7448 1.5736 1.5070 0.0187 -0.0306 0.0300 30 THR t CG2 +45586 N N . GLU GA 8 ? 1.7347 1.5121 1.5090 0.0211 -0.0225 0.0296 8 GLU u N +45587 C CA . GLU GA 8 ? 1.9680 1.7478 1.7426 0.0261 -0.0253 0.0293 8 GLU u CA +45588 C C . GLU GA 8 ? 1.7264 1.5075 1.5037 0.0269 -0.0252 0.0286 8 GLU u C +45589 O O . GLU GA 8 ? 1.7466 1.5239 1.5198 0.0307 -0.0264 0.0287 8 GLU u O +45590 C CB . GLU GA 8 ? 1.8110 1.6006 1.5926 0.0274 -0.0274 0.0286 8 GLU u CB +45591 C CG . GLU GA 8 ? 1.9909 1.7842 1.7739 0.0325 -0.0303 0.0281 8 GLU u CG +45592 C CD . GLU GA 8 ? 1.9892 1.7932 1.7804 0.0330 -0.0322 0.0272 8 GLU u CD +45593 O OE1 . GLU GA 8 ? 2.0479 1.8548 1.8414 0.0306 -0.0319 0.0272 8 GLU u OE1 +45594 O OE2 . GLU GA 8 ? 1.8982 1.7079 1.6938 0.0359 -0.0340 0.0265 8 GLU u OE2 +45595 N N . LEU GA 9 ? 1.3461 1.1325 1.1300 0.0233 -0.0238 0.0280 9 LEU u N +45596 C CA . LEU GA 9 ? 1.1370 0.9261 0.9244 0.0238 -0.0238 0.0273 9 LEU u CA +45597 C C . LEU GA 9 ? 0.9187 0.6986 0.6999 0.0226 -0.0220 0.0276 9 LEU u C +45598 O O . LEU GA 9 ? 0.9877 0.7653 0.7687 0.0183 -0.0198 0.0277 9 LEU u O +45599 C CB . LEU GA 9 ? 1.0000 0.7984 0.7967 0.0206 -0.0233 0.0265 9 LEU u CB +45600 C CG . LEU GA 9 ? 1.1138 0.9217 0.9175 0.0217 -0.0250 0.0260 9 LEU u CG +45601 C CD1 . LEU GA 9 ? 0.9273 0.7430 0.7392 0.0186 -0.0242 0.0253 9 LEU u CD1 +45602 C CD2 . LEU GA 9 ? 1.2460 1.0563 1.0498 0.0267 -0.0274 0.0257 9 LEU u CD2 +45603 N N A VAL GA 10 ? 0.9214 0.6961 0.6975 0.0263 -0.0228 0.0277 10 VAL u N +45604 N N B VAL GA 10 ? 0.9197 0.6947 0.6961 0.0263 -0.0228 0.0277 10 VAL u N +45605 C CA A VAL GA 10 ? 0.9040 0.6697 0.6740 0.0255 -0.0212 0.0279 10 VAL u CA +45606 C CA B VAL GA 10 ? 0.9023 0.6683 0.6725 0.0254 -0.0212 0.0279 10 VAL u CA +45607 C C A VAL GA 10 ? 0.9025 0.6699 0.6742 0.0281 -0.0221 0.0272 10 VAL u C +45608 C C B VAL GA 10 ? 0.8999 0.6679 0.6722 0.0279 -0.0220 0.0271 10 VAL u C +45609 O O A VAL GA 10 ? 0.8715 0.6438 0.6458 0.0321 -0.0241 0.0268 10 VAL u O +45610 O O B VAL GA 10 ? 0.8548 0.6287 0.6307 0.0316 -0.0240 0.0267 10 VAL u O +45611 C CB A VAL GA 10 ? 1.0613 0.8158 0.8207 0.0274 -0.0211 0.0290 10 VAL u CB +45612 C CB B VAL GA 10 ? 1.0610 0.8158 0.8207 0.0274 -0.0212 0.0290 10 VAL u CB +45613 C CG1 A VAL GA 10 ? 0.9817 0.7283 0.7363 0.0229 -0.0183 0.0296 10 VAL u CG1 +45614 C CG1 B VAL GA 10 ? 0.8737 0.6266 0.6312 0.0251 -0.0203 0.0298 10 VAL u CG1 +45615 C CG2 A VAL GA 10 ? 0.9393 0.6953 0.6976 0.0295 -0.0227 0.0296 10 VAL u CG2 +45616 C CG2 B VAL GA 10 ? 0.8578 0.6121 0.6148 0.0335 -0.0238 0.0290 10 VAL u CG2 +45617 N N . ASN GA 11 ? 0.8710 0.6342 0.6412 0.0257 -0.0204 0.0269 11 ASN u N +45618 C CA . ASN GA 11 ? 0.8421 0.6049 0.6124 0.0281 -0.0209 0.0262 11 ASN u CA +45619 C C . ASN GA 11 ? 0.9153 0.6680 0.6761 0.0319 -0.0214 0.0268 11 ASN u C +45620 O O . ASN GA 11 ? 0.8160 0.5590 0.5696 0.0302 -0.0198 0.0275 11 ASN u O +45621 C CB . ASN GA 11 ? 0.7774 0.5395 0.5495 0.0240 -0.0190 0.0256 11 ASN u CB +45622 C CG . ASN GA 11 ? 0.8615 0.6232 0.6336 0.0264 -0.0194 0.0248 11 ASN u CG +45623 O OD1 . ASN GA 11 ? 0.9060 0.6613 0.6719 0.0302 -0.0200 0.0250 11 ASN u OD1 +45624 N ND2 . ASN GA 11 ? 0.7793 0.5476 0.5581 0.0243 -0.0190 0.0239 11 ASN u ND2 +45625 N N . VAL GA 12 ? 0.7701 0.5248 0.5307 0.0372 -0.0235 0.0266 12 VAL u N +45626 C CA . VAL GA 12 ? 0.8660 0.6114 0.6175 0.0413 -0.0243 0.0273 12 VAL u CA +45627 C C . VAL GA 12 ? 0.9958 0.7329 0.7417 0.0417 -0.0232 0.0271 12 VAL u C +45628 O O . VAL GA 12 ? 0.9638 0.6904 0.7005 0.0434 -0.0230 0.0278 12 VAL u O +45629 C CB . VAL GA 12 ? 0.8222 0.5722 0.5751 0.0471 -0.0270 0.0271 12 VAL u CB +45630 C CG1 . VAL GA 12 ? 0.8193 0.5752 0.5756 0.0469 -0.0282 0.0274 12 VAL u CG1 +45631 C CG2 . VAL GA 12 ? 0.9685 0.7270 0.7287 0.0489 -0.0278 0.0259 12 VAL u CG2 +45632 N N . VAL GA 13 ? 0.9098 0.6509 0.6606 0.0400 -0.0224 0.0261 13 VAL u N +45633 C CA . VAL GA 13 ? 0.8167 0.5495 0.5620 0.0399 -0.0213 0.0258 13 VAL u CA +45634 C C . VAL GA 13 ? 0.9832 0.7076 0.7233 0.0350 -0.0190 0.0264 13 VAL u C +45635 O O . VAL GA 13 ? 0.9205 0.6340 0.6520 0.0356 -0.0182 0.0268 13 VAL u O +45636 C CB . VAL GA 13 ? 0.9003 0.6396 0.6520 0.0395 -0.0212 0.0246 13 VAL u CB +45637 C CG1 . VAL GA 13 ? 0.8299 0.5603 0.5756 0.0390 -0.0199 0.0242 13 VAL u CG1 +45638 C CG2 . VAL GA 13 ? 0.7930 0.5402 0.5493 0.0446 -0.0233 0.0241 13 VAL u CG2 +45639 N N . ASP GA 14 ? 0.8845 0.6137 0.6297 0.0301 -0.0178 0.0264 14 ASP u N +45640 C CA . ASP GA 14 ? 0.8776 0.5995 0.6185 0.0253 -0.0155 0.0269 14 ASP u CA +45641 C C . ASP GA 14 ? 1.0757 0.7885 0.8079 0.0266 -0.0154 0.0282 14 ASP u C +45642 O O . ASP GA 14 ? 0.9087 0.6109 0.6331 0.0250 -0.0138 0.0287 14 ASP u O +45643 C CB . ASP GA 14 ? 0.8541 0.5838 0.6027 0.0203 -0.0145 0.0266 14 ASP u CB +45644 C CG . ASP GA 14 ? 0.9731 0.7093 0.7287 0.0180 -0.0141 0.0254 14 ASP u CG +45645 O OD1 . ASP GA 14 ? 0.8865 0.6173 0.6388 0.0173 -0.0134 0.0249 14 ASP u OD1 +45646 O OD2 . ASP GA 14 ? 1.0151 0.7615 0.7791 0.0168 -0.0146 0.0249 14 ASP u OD2 +45647 N N . GLU GA 15 ? 0.8808 0.5974 0.6139 0.0295 -0.0170 0.0287 15 GLU u N +45648 C CA . GLU GA 15 ? 1.0364 0.7447 0.7610 0.0315 -0.0172 0.0300 15 GLU u CA +45649 C C . GLU GA 15 ? 1.0406 0.7382 0.7559 0.0353 -0.0175 0.0303 15 GLU u C +45650 O O . GLU GA 15 ? 1.0057 0.6921 0.7121 0.0342 -0.0161 0.0312 15 GLU u O +45651 C CB . GLU GA 15 ? 1.0063 0.7215 0.7341 0.0349 -0.0195 0.0302 15 GLU u CB +45652 C CG . GLU GA 15 ? 1.3297 1.0396 1.0516 0.0347 -0.0192 0.0314 15 GLU u CG +45653 C CD . GLU GA 15 ? 1.4410 1.1588 1.1671 0.0376 -0.0216 0.0314 15 GLU u CD +45654 O OE1 . GLU GA 15 ? 1.5163 1.2371 1.2433 0.0427 -0.0241 0.0311 15 GLU u OE1 +45655 O OE2 . GLU GA 15 ? 1.3614 1.0828 1.0903 0.0348 -0.0210 0.0317 15 GLU u OE2 +45656 N N . LYS GA 16 ? 0.9382 0.6388 0.6552 0.0397 -0.0193 0.0296 16 LYS u N +45657 C CA . LYS GA 16 ? 0.9097 0.6007 0.6182 0.0438 -0.0198 0.0298 16 LYS u CA +45658 C C . LYS GA 16 ? 1.0023 0.6833 0.7050 0.0403 -0.0174 0.0298 16 LYS u C +45659 O O . LYS GA 16 ? 1.0178 0.6871 0.7106 0.0421 -0.0170 0.0305 16 LYS u O +45660 C CB . LYS GA 16 ? 0.9911 0.6886 0.7042 0.0484 -0.0218 0.0287 16 LYS u CB +45661 C CG . LYS GA 16 ? 0.9196 0.6102 0.6253 0.0547 -0.0234 0.0290 16 LYS u CG +45662 C CD . LYS GA 16 ? 1.0637 0.7558 0.7679 0.0584 -0.0255 0.0298 16 LYS u CD +45663 C CE . LYS GA 16 ? 0.9840 0.6754 0.6855 0.0655 -0.0279 0.0295 16 LYS u CE +45664 N NZ . LYS GA 16 ? 0.9219 0.6112 0.6190 0.0694 -0.0299 0.0304 16 LYS u NZ +45665 N N . LEU GA 17 ? 0.9355 0.6207 0.6440 0.0352 -0.0158 0.0290 17 LEU u N +45666 C CA . LEU GA 17 ? 0.9918 0.6682 0.6955 0.0313 -0.0135 0.0288 17 LEU u CA +45667 C C . LEU GA 17 ? 0.9959 0.6621 0.6915 0.0286 -0.0117 0.0300 17 LEU u C +45668 O O . LEU GA 17 ? 0.9890 0.6454 0.6781 0.0264 -0.0099 0.0301 17 LEU u O +45669 C CB . LEU GA 17 ? 0.9601 0.6441 0.6723 0.0261 -0.0123 0.0277 17 LEU u CB +45670 C CG . LEU GA 17 ? 0.9953 0.6861 0.7133 0.0279 -0.0134 0.0264 17 LEU u CG +45671 C CD1 . LEU GA 17 ? 0.9345 0.6322 0.6602 0.0226 -0.0122 0.0254 17 LEU u CD1 +45672 C CD2 . LEU GA 17 ? 0.8599 0.5411 0.5703 0.0307 -0.0134 0.0261 17 LEU u CD2 +45673 N N . GLY GA 18 ? 0.9092 0.5776 0.6051 0.0285 -0.0119 0.0310 18 GLY u N +45674 C CA . GLY GA 18 ? 1.0195 0.6782 0.7075 0.0263 -0.0101 0.0322 18 GLY u CA +45675 C C . GLY GA 18 ? 1.0169 0.6658 0.6945 0.0313 -0.0112 0.0334 18 GLY u C +45676 O O . GLY GA 18 ? 1.0856 0.7258 0.7557 0.0299 -0.0098 0.0346 18 GLY u O +45677 N N . THR GA 19 ? 1.0650 0.7150 0.7419 0.0373 -0.0137 0.0331 19 THR u N +45678 C CA . THR GA 19 ? 0.9955 0.6358 0.6624 0.0426 -0.0149 0.0341 19 THR u CA +45679 C C . THR GA 19 ? 1.0781 0.7084 0.7382 0.0435 -0.0141 0.0338 19 THR u C +45680 O O . THR GA 19 ? 1.0835 0.7136 0.7460 0.0394 -0.0124 0.0329 19 THR u O +45681 C CB . THR GA 19 ? 1.0010 0.6490 0.6714 0.0488 -0.0182 0.0338 19 THR u CB +45682 O OG1 . THR GA 19 ? 0.9675 0.6204 0.6424 0.0515 -0.0194 0.0326 19 THR u OG1 +45683 C CG2 . THR GA 19 ? 0.8672 0.5270 0.5465 0.0473 -0.0190 0.0337 19 THR u CG2 +45684 N N . ALA GA 20 ? 1.0856 0.7074 0.7369 0.0491 -0.0155 0.0344 20 ALA u N +45685 C CA . ALA GA 20 ? 1.1688 0.7806 0.8131 0.0506 -0.0150 0.0341 20 ALA u CA +45686 C C . ALA GA 20 ? 1.0433 0.6629 0.6947 0.0522 -0.0161 0.0325 20 ALA u C +45687 O O . ALA GA 20 ? 0.9927 0.6057 0.6402 0.0521 -0.0152 0.0319 20 ALA u O +45688 C CB . ALA GA 20 ? 1.1038 0.7050 0.7370 0.0567 -0.0164 0.0352 20 ALA u CB +45689 N N . TYR GA 21 ? 1.0809 0.7143 0.7425 0.0538 -0.0179 0.0318 21 TYR u N +45690 C CA . TYR GA 21 ? 1.0086 0.6504 0.6781 0.0543 -0.0184 0.0303 21 TYR u CA +45691 C C . TYR GA 21 ? 0.9260 0.5669 0.5978 0.0481 -0.0160 0.0295 21 TYR u C +45692 O O . TYR GA 21 ? 1.0153 0.6562 0.6881 0.0487 -0.0159 0.0284 21 TYR u O +45693 C CB . TYR GA 21 ? 0.9310 0.5878 0.6115 0.0555 -0.0202 0.0297 21 TYR u CB +45694 C CG . TYR GA 21 ? 0.9955 0.6622 0.6850 0.0553 -0.0206 0.0282 21 TYR u CG +45695 C CD1 . TYR GA 21 ? 0.9120 0.5820 0.6029 0.0610 -0.0225 0.0275 21 TYR u CD1 +45696 C CD2 . TYR GA 21 ? 0.9610 0.6338 0.6576 0.0495 -0.0190 0.0275 21 TYR u CD2 +45697 C CE1 . TYR GA 21 ? 0.9427 0.6215 0.6415 0.0608 -0.0226 0.0261 21 TYR u CE1 +45698 C CE2 . TYR GA 21 ? 0.9832 0.6647 0.6876 0.0494 -0.0193 0.0262 21 TYR u CE2 +45699 C CZ . TYR GA 21 ? 0.9939 0.6782 0.6993 0.0549 -0.0210 0.0256 21 TYR u CZ +45700 O OH . TYR GA 21 ? 1.0525 0.7453 0.7654 0.0546 -0.0211 0.0243 21 TYR u OH +45701 N N . GLY GA 22 ? 0.9780 0.6177 0.6502 0.0423 -0.0140 0.0300 22 GLY u N +45702 C CA . GLY GA 22 ? 1.0240 0.6624 0.6981 0.0363 -0.0118 0.0292 22 GLY u CA +45703 C C . GLY GA 22 ? 1.1900 0.8144 0.8542 0.0349 -0.0100 0.0294 22 GLY u C +45704 O O . GLY GA 22 ? 1.0580 0.6810 0.7236 0.0299 -0.0082 0.0286 22 GLY u O +45705 N N . GLU GA 23 ? 1.0169 0.6304 0.6709 0.0392 -0.0105 0.0303 23 GLU u N +45706 C CA . GLU GA 23 ? 1.0667 0.6658 0.7104 0.0377 -0.0088 0.0306 23 GLU u CA +45707 C C . GLU GA 23 ? 1.0494 0.6416 0.6866 0.0435 -0.0101 0.0303 23 GLU u C +45708 O O . GLU GA 23 ? 1.1328 0.7148 0.7635 0.0421 -0.0088 0.0300 23 GLU u O +45709 C CB . GLU GA 23 ? 1.2649 0.8539 0.8998 0.0364 -0.0074 0.0323 23 GLU u CB +45710 C CG . GLU GA 23 ? 1.6223 1.2188 1.2628 0.0331 -0.0068 0.0329 23 GLU u CG +45711 C CD . GLU GA 23 ? 1.7694 1.3561 1.4006 0.0333 -0.0059 0.0347 23 GLU u CD +45712 O OE1 . GLU GA 23 ? 1.7426 1.3155 1.3629 0.0339 -0.0048 0.0354 23 GLU u OE1 +45713 O OE2 . GLU GA 23 ? 1.6595 1.2519 1.2939 0.0331 -0.0063 0.0354 23 GLU u OE2 +45714 N N . LYS GA 24 ? 1.0701 0.6674 0.7090 0.0500 -0.0127 0.0303 24 LYS u N +45715 C CA . LYS GA 24 ? 1.0647 0.6548 0.6967 0.0561 -0.0141 0.0301 24 LYS u CA +45716 C C . LYS GA 24 ? 1.0572 0.6592 0.6972 0.0611 -0.0165 0.0291 24 LYS u C +45717 O O . LYS GA 24 ? 1.0335 0.6483 0.6834 0.0601 -0.0173 0.0288 24 LYS u O +45718 C CB . LYS GA 24 ? 1.2446 0.8238 0.8657 0.0602 -0.0147 0.0317 24 LYS u CB +45719 C CG . LYS GA 24 ? 1.2314 0.7964 0.8423 0.0561 -0.0122 0.0328 24 LYS u CG +45720 C CD . LYS GA 24 ? 1.3439 0.8995 0.9448 0.0604 -0.0130 0.0345 24 LYS u CD +45721 C CE . LYS GA 24 ? 1.4180 0.9584 1.0078 0.0567 -0.0104 0.0356 24 LYS u CE +45722 N NZ . LYS GA 24 ? 1.7800 1.3115 1.3600 0.0608 -0.0112 0.0374 24 LYS u NZ +45723 N N . ILE GA 25 ? 0.9985 0.5961 0.6340 0.0667 -0.0178 0.0287 25 ILE u N +45724 C CA . ILE GA 25 ? 0.9473 0.5556 0.5897 0.0720 -0.0201 0.0278 25 ILE u CA +45725 C C . ILE GA 25 ? 1.0887 0.7007 0.7313 0.0764 -0.0222 0.0287 25 ILE u C +45726 O O . ILE GA 25 ? 1.0817 0.6841 0.7150 0.0804 -0.0230 0.0297 25 ILE u O +45727 C CB . ILE GA 25 ? 0.9965 0.5989 0.6339 0.0769 -0.0207 0.0269 25 ILE u CB +45728 C CG1 . ILE GA 25 ? 0.9697 0.5683 0.6067 0.0724 -0.0187 0.0259 25 ILE u CG1 +45729 C CG2 . ILE GA 25 ? 0.9995 0.6132 0.6440 0.0829 -0.0231 0.0261 25 ILE u CG2 +45730 C CD1 . ILE GA 25 ? 1.0281 0.6220 0.6612 0.0771 -0.0192 0.0248 25 ILE u CD1 +45731 N N . ASP GA 26 ? 0.9473 0.5733 0.6005 0.0758 -0.0233 0.0284 26 ASP u N +45732 C CA . ASP GA 26 ? 0.9653 0.5967 0.6203 0.0797 -0.0255 0.0291 26 ASP u CA +45733 C C . ASP GA 26 ? 1.0458 0.6830 0.7037 0.0866 -0.0279 0.0281 26 ASP u C +45734 O O . ASP GA 26 ? 1.0338 0.6818 0.7009 0.0865 -0.0282 0.0269 26 ASP u O +45735 C CB . ASP GA 26 ? 0.8714 0.5145 0.5362 0.0752 -0.0252 0.0291 26 ASP u CB +45736 C CG . ASP GA 26 ? 0.9705 0.6201 0.6380 0.0786 -0.0276 0.0296 26 ASP u CG +45737 O OD1 . ASP GA 26 ? 1.0036 0.6521 0.6678 0.0851 -0.0298 0.0297 26 ASP u OD1 +45738 O OD2 . ASP GA 26 ? 0.9528 0.6096 0.6264 0.0746 -0.0272 0.0299 26 ASP u OD2 +45739 N N . LEU GA 27 ? 0.9853 0.6153 0.6352 0.0927 -0.0296 0.0287 27 LEU u N +45740 C CA . LEU GA 27 ? 0.9765 0.6110 0.6282 0.0997 -0.0319 0.0278 27 LEU u CA +45741 C C . LEU GA 27 ? 0.9818 0.6318 0.6446 0.1015 -0.0339 0.0272 27 LEU u C +45742 O O . LEU GA 27 ? 0.9271 0.5838 0.5942 0.1064 -0.0355 0.0262 27 LEU u O +45743 C CB . LEU GA 27 ? 1.0502 0.6736 0.6908 0.1059 -0.0334 0.0287 27 LEU u CB +45744 C CG . LEU GA 27 ? 1.0693 0.6753 0.6968 0.1052 -0.0318 0.0296 27 LEU u CG +45745 C CD1 . LEU GA 27 ? 1.0809 0.6776 0.6983 0.1119 -0.0338 0.0305 27 LEU u CD1 +45746 C CD2 . LEU GA 27 ? 1.0657 0.6684 0.6924 0.1050 -0.0304 0.0284 27 LEU u CD2 +45747 N N . ASN GA 28 ? 0.9235 0.5794 0.5910 0.0977 -0.0338 0.0278 28 ASN u N +45748 C CA . ASN GA 28 ? 0.9565 0.6269 0.6344 0.0990 -0.0357 0.0272 28 ASN u CA +45749 C C . ASN GA 28 ? 1.1075 0.7897 0.7969 0.0942 -0.0345 0.0262 28 ASN u C +45750 O O . ASN GA 28 ? 0.8973 0.5921 0.5960 0.0956 -0.0359 0.0255 28 ASN u O +45751 C CB . ASN GA 28 ? 0.9149 0.5853 0.5913 0.0984 -0.0367 0.0284 28 ASN u CB +45752 C CG . ASN GA 28 ? 1.0050 0.6675 0.6722 0.1049 -0.0390 0.0291 28 ASN u CG +45753 O OD1 . ASN GA 28 ? 1.0290 0.6882 0.6926 0.1104 -0.0401 0.0287 28 ASN u OD1 +45754 N ND2 . ASN GA 28 ? 0.9991 0.6588 0.6627 0.1044 -0.0397 0.0303 28 ASN u ND2 +45755 N N . ASN GA 29 ? 0.8469 0.5256 0.5359 0.0889 -0.0319 0.0261 29 ASN u N +45756 C CA . ASN GA 29 ? 0.9046 0.5938 0.6037 0.0836 -0.0308 0.0254 29 ASN u CA +45757 C C . ASN GA 29 ? 1.0381 0.7259 0.7384 0.0808 -0.0288 0.0245 29 ASN u C +45758 O O . ASN GA 29 ? 1.0207 0.7187 0.7299 0.0795 -0.0286 0.0235 29 ASN u O +45759 C CB . ASN GA 29 ? 0.8536 0.5419 0.5528 0.0780 -0.0296 0.0265 29 ASN u CB +45760 C CG . ASN GA 29 ? 1.0518 0.7460 0.7538 0.0798 -0.0316 0.0270 29 ASN u CG +45761 O OD1 . ASN GA 29 ? 0.9608 0.6670 0.6716 0.0812 -0.0330 0.0263 29 ASN u OD1 +45762 N ND2 . ASN GA 29 ? 0.9519 0.6374 0.6459 0.0796 -0.0316 0.0283 29 ASN u ND2 +45763 N N . THR GA 30 ? 0.9537 0.6288 0.6447 0.0798 -0.0274 0.0249 30 THR u N +45764 C CA . THR GA 30 ? 0.8926 0.5653 0.5840 0.0760 -0.0254 0.0241 30 THR u CA +45765 C C . THR GA 30 ? 1.0385 0.7164 0.7338 0.0796 -0.0260 0.0227 30 THR u C +45766 O O . THR GA 30 ? 0.8902 0.5680 0.5836 0.0858 -0.0276 0.0224 30 THR u O +45767 C CB . THR GA 30 ? 0.9359 0.5931 0.6159 0.0745 -0.0239 0.0248 30 THR u CB +45768 O OG1 . THR GA 30 ? 1.0067 0.6601 0.6838 0.0710 -0.0232 0.0261 30 THR u OG1 +45769 C CG2 . THR GA 30 ? 0.9500 0.6043 0.6302 0.0699 -0.0219 0.0239 30 THR u CG2 +45770 N N . ASN GA 31 ? 0.9134 0.5968 0.6148 0.0756 -0.0247 0.0218 31 ASN u N +45771 C CA . ASN GA 31 ? 0.9052 0.5934 0.6104 0.0781 -0.0248 0.0204 31 ASN u CA +45772 C C . ASN GA 31 ? 0.9193 0.5957 0.6150 0.0814 -0.0244 0.0201 31 ASN u C +45773 O O . ASN GA 31 ? 0.9236 0.5881 0.6109 0.0790 -0.0233 0.0206 31 ASN u O +45774 C CB . ASN GA 31 ? 0.8338 0.5286 0.5462 0.0724 -0.0233 0.0196 31 ASN u CB +45775 C CG . ASN GA 31 ? 0.8873 0.5852 0.6023 0.0742 -0.0230 0.0183 31 ASN u CG +45776 O OD1 . ASN GA 31 ? 0.9608 0.6507 0.6704 0.0731 -0.0218 0.0177 31 ASN u OD1 +45777 N ND2 . ASN GA 31 ? 0.8393 0.5487 0.5623 0.0770 -0.0240 0.0176 31 ASN u ND2 +45778 N N . ILE GA 32 ? 0.8804 0.5602 0.5776 0.0867 -0.0253 0.0191 32 ILE u N +45779 C CA . ILE GA 32 ? 0.9457 0.6149 0.6338 0.0912 -0.0255 0.0188 32 ILE u CA +45780 C C . ILE GA 32 ? 1.0181 0.6777 0.7006 0.0874 -0.0235 0.0183 32 ILE u C +45781 O O . ILE GA 32 ? 0.9534 0.6006 0.6261 0.0895 -0.0232 0.0185 32 ILE u O +45782 C CB . ILE GA 32 ? 1.0407 0.7173 0.7331 0.0973 -0.0267 0.0177 32 ILE u CB +45783 C CG1 . ILE GA 32 ? 0.8987 0.5646 0.5815 0.1032 -0.0272 0.0175 32 ILE u CG1 +45784 C CG2 . ILE GA 32 ? 0.8689 0.5538 0.5689 0.0947 -0.0255 0.0164 32 ILE u CG2 +45785 C CD1 . ILE GA 32 ? 0.9463 0.6195 0.6327 0.1103 -0.0289 0.0168 32 ILE u CD1 +45786 N N . ALA GA 33 ? 0.9962 0.6611 0.6847 0.0818 -0.0221 0.0177 33 ALA u N +45787 C CA . ALA GA 33 ? 1.0176 0.6739 0.7012 0.0782 -0.0204 0.0170 33 ALA u CA +45788 C C . ALA GA 33 ? 0.9527 0.5964 0.6275 0.0747 -0.0194 0.0180 33 ALA u C +45789 O O . ALA GA 33 ? 1.0165 0.6504 0.6848 0.0729 -0.0182 0.0176 33 ALA u O +45790 C CB . ALA GA 33 ? 0.8499 0.5147 0.5417 0.0727 -0.0194 0.0162 33 ALA u CB +45791 N N . ALA GA 34 ? 0.9216 0.5655 0.5962 0.0735 -0.0198 0.0194 34 ALA u N +45792 C CA . ALA GA 34 ? 0.9970 0.6290 0.6633 0.0702 -0.0187 0.0204 34 ALA u CA +45793 C C . ALA GA 34 ? 1.0385 0.6565 0.6929 0.0746 -0.0188 0.0207 34 ALA u C +45794 O O . ALA GA 34 ? 1.0055 0.6116 0.6518 0.0715 -0.0174 0.0211 34 ALA u O +45795 C CB . ALA GA 34 ? 0.9191 0.5545 0.5873 0.0692 -0.0192 0.0218 34 ALA u CB +45796 N N . PHE GA 35 ? 0.9827 0.6018 0.6360 0.0816 -0.0204 0.0204 35 PHE u N +45797 C CA . PHE GA 35 ? 1.0328 0.6386 0.6747 0.0863 -0.0208 0.0207 35 PHE u CA +45798 C C . PHE GA 35 ? 1.1244 0.7212 0.7607 0.0851 -0.0194 0.0196 35 PHE u C +45799 O O . PHE GA 35 ? 1.0716 0.6552 0.6972 0.0878 -0.0193 0.0199 35 PHE u O +45800 C CB . PHE GA 35 ? 1.0215 0.6321 0.6645 0.0943 -0.0230 0.0205 35 PHE u CB +45801 C CG . PHE GA 35 ? 1.1153 0.7312 0.7608 0.0961 -0.0246 0.0217 35 PHE u CG +45802 C CD1 . PHE GA 35 ? 1.1319 0.7373 0.7680 0.0983 -0.0252 0.0231 35 PHE u CD1 +45803 C CD2 . PHE GA 35 ? 1.0158 0.6467 0.6727 0.0955 -0.0255 0.0215 35 PHE u CD2 +45804 C CE1 . PHE GA 35 ? 1.0933 0.7033 0.7312 0.1000 -0.0267 0.0242 35 PHE u CE1 +45805 C CE2 . PHE GA 35 ? 1.0557 0.6914 0.7148 0.0971 -0.0270 0.0225 35 PHE u CE2 +45806 C CZ . PHE GA 35 ? 1.0907 0.7161 0.7404 0.0994 -0.0277 0.0238 35 PHE u CZ +45807 N N . ILE GA 36 ? 1.0617 0.6648 0.7045 0.0812 -0.0184 0.0183 36 ILE u N +45808 C CA . ILE GA 36 ? 1.0046 0.5992 0.6422 0.0791 -0.0171 0.0173 36 ILE u CA +45809 C C . ILE GA 36 ? 1.0534 0.6357 0.6833 0.0737 -0.0154 0.0179 36 ILE u C +45810 O O . ILE GA 36 ? 1.1382 0.7102 0.7611 0.0725 -0.0144 0.0172 36 ILE u O +45811 C CB . ILE GA 36 ? 1.0249 0.6306 0.6722 0.0761 -0.0166 0.0158 36 ILE u CB +45812 C CG1 . ILE GA 36 ? 1.0456 0.6611 0.6986 0.0821 -0.0180 0.0150 36 ILE u CG1 +45813 C CG2 . ILE GA 36 ? 1.0784 0.6765 0.7215 0.0727 -0.0152 0.0146 36 ILE u CG2 +45814 C CD1 . ILE GA 36 ? 1.1280 0.7557 0.7911 0.0796 -0.0177 0.0138 36 ILE u CD1 +45815 N N . GLN GA 37 ? 1.0339 0.6168 0.6646 0.0703 -0.0151 0.0193 37 GLN u N +45816 C CA . GLN GA 37 ? 1.1985 0.7707 0.8228 0.0646 -0.0132 0.0199 37 GLN u CA +45817 C C . GLN GA 37 ? 1.1969 0.7525 0.8077 0.0673 -0.0129 0.0206 37 GLN u C +45818 O O . GLN GA 37 ? 1.1576 0.7028 0.7621 0.0626 -0.0111 0.0208 37 GLN u O +45819 C CB . GLN GA 37 ? 1.1801 0.7569 0.8083 0.0606 -0.0128 0.0212 37 GLN u CB +45820 C CG . GLN GA 37 ? 1.3824 0.9739 1.0229 0.0568 -0.0128 0.0206 37 GLN u CG +45821 C CD . GLN GA 37 ? 1.4726 1.0684 1.1160 0.0546 -0.0128 0.0220 37 GLN u CD +45822 O OE1 . GLN GA 37 ? 1.5255 1.1151 1.1654 0.0497 -0.0112 0.0227 37 GLN u OE1 +45823 N NE2 . GLN GA 37 ? 1.3682 0.9743 1.0178 0.0584 -0.0145 0.0224 37 GLN u NE2 +45824 N N . TYR GA 38 ? 1.1126 0.6653 0.7188 0.0747 -0.0145 0.0210 38 TYR u N +45825 C CA . TYR GA 38 ? 1.0615 0.5982 0.6546 0.0779 -0.0143 0.0218 38 TYR u CA +45826 C C . TYR GA 38 ? 1.2677 0.8011 0.8569 0.0847 -0.0155 0.0208 38 TYR u C +45827 O O . TYR GA 38 ? 1.2340 0.7784 0.8304 0.0890 -0.0170 0.0200 38 TYR u O +45828 C CB . TYR GA 38 ? 1.0187 0.5526 0.6078 0.0805 -0.0152 0.0237 38 TYR u CB +45829 C CG . TYR GA 38 ? 1.0384 0.5754 0.6310 0.0740 -0.0140 0.0246 38 TYR u CG +45830 C CD1 . TYR GA 38 ? 1.0822 0.6088 0.6688 0.0679 -0.0116 0.0251 38 TYR u CD1 +45831 C CD2 . TYR GA 38 ? 1.0678 0.6185 0.6702 0.0738 -0.0150 0.0250 38 TYR u CD2 +45832 C CE1 . TYR GA 38 ? 1.0547 0.5845 0.6449 0.0619 -0.0104 0.0259 38 TYR u CE1 +45833 C CE2 . TYR GA 38 ? 1.0794 0.6332 0.6853 0.0679 -0.0138 0.0258 38 TYR u CE2 +45834 C CZ . TYR GA 38 ? 1.1371 0.6804 0.7367 0.0621 -0.0114 0.0263 38 TYR u CZ +45835 O OH . TYR GA 38 ? 1.4295 0.9760 1.0326 0.0563 -0.0101 0.0270 38 TYR u OH +45836 N N . ARG GA 39 ? 1.1758 0.6937 0.7534 0.0856 -0.0147 0.0208 39 ARG u N +45837 C CA . ARG GA 39 ? 1.1455 0.6584 0.7181 0.0918 -0.0155 0.0198 39 ARG u CA +45838 C C . ARG GA 39 ? 1.1420 0.6588 0.7147 0.1002 -0.0178 0.0203 39 ARG u C +45839 O O . ARG GA 39 ? 1.1656 0.6787 0.7340 0.1022 -0.0186 0.0219 39 ARG u O +45840 C CB . ARG GA 39 ? 1.2349 0.7291 0.7939 0.0912 -0.0142 0.0200 39 ARG u CB +45841 C CG . ARG GA 39 ? 1.4225 0.9103 0.9757 0.0972 -0.0149 0.0188 39 ARG u CG +45842 C CD . ARG GA 39 ? 1.4129 0.8814 0.9521 0.0965 -0.0136 0.0190 39 ARG u CD +45843 N NE . ARG GA 39 ? 1.3819 0.8457 0.9202 0.0877 -0.0114 0.0190 39 ARG u NE +45844 C CZ . ARG GA 39 ? 1.5788 1.0437 1.1201 0.0829 -0.0102 0.0174 39 ARG u CZ +45845 N NH1 . ARG GA 39 ? 1.2452 0.7154 0.7901 0.0861 -0.0109 0.0157 39 ARG u NH1 +45846 N NH2 . ARG GA 39 ? 1.3890 0.8498 0.9297 0.0749 -0.0083 0.0174 39 ARG u NH2 +45847 N N . GLY GA 40 ? 1.1071 0.6314 0.6845 0.1051 -0.0190 0.0190 40 GLY u N +45848 C CA . GLY GA 40 ? 1.1372 0.6634 0.7134 0.1136 -0.0211 0.0191 40 GLY u CA +45849 C C . GLY GA 40 ? 1.1595 0.7015 0.7464 0.1159 -0.0228 0.0194 40 GLY u C +45850 O O . GLY GA 40 ? 1.1528 0.6987 0.7405 0.1231 -0.0247 0.0192 40 GLY u O +45851 N N . LEU GA 41 ? 1.1161 0.6675 0.7114 0.1100 -0.0223 0.0198 41 LEU u N +45852 C CA . LEU GA 41 ? 1.1237 0.6890 0.7283 0.1118 -0.0239 0.0203 41 LEU u CA +45853 C C . LEU GA 41 ? 1.0935 0.6742 0.7100 0.1130 -0.0245 0.0188 41 LEU u C +45854 O O . LEU GA 41 ? 1.1045 0.6960 0.7277 0.1169 -0.0262 0.0188 41 LEU u O +45855 C CB . LEU GA 41 ? 0.9905 0.5585 0.5984 0.1052 -0.0231 0.0215 41 LEU u CB +45856 C CG . LEU GA 41 ? 1.2432 0.7979 0.8406 0.1040 -0.0226 0.0232 41 LEU u CG +45857 C CD1 . LEU GA 41 ? 1.1371 0.6960 0.7389 0.0970 -0.0215 0.0241 41 LEU u CD1 +45858 C CD2 . LEU GA 41 ? 1.1139 0.6659 0.7062 0.1116 -0.0249 0.0241 41 LEU u CD2 +45859 N N . TYR GA 42 ? 1.0839 0.6662 0.7032 0.1097 -0.0230 0.0175 42 TYR u N +45860 C CA . TYR GA 42 ? 1.0081 0.6055 0.6392 0.1095 -0.0232 0.0163 42 TYR u CA +45861 C C . TYR GA 42 ? 1.0308 0.6264 0.6601 0.1136 -0.0230 0.0147 42 TYR u C +45862 O O . TYR GA 42 ? 1.0279 0.6124 0.6497 0.1119 -0.0217 0.0142 42 TYR u O +45863 C CB . TYR GA 42 ? 0.9630 0.5662 0.6009 0.1012 -0.0216 0.0161 42 TYR u CB +45864 C CG . TYR GA 42 ? 0.9736 0.5920 0.6234 0.1003 -0.0217 0.0149 42 TYR u CG +45865 C CD1 . TYR GA 42 ? 0.9109 0.5303 0.5618 0.1009 -0.0209 0.0134 42 TYR u CD1 +45866 C CD2 . TYR GA 42 ? 1.0509 0.6822 0.7105 0.0987 -0.0223 0.0154 42 TYR u CD2 +45867 C CE1 . TYR GA 42 ? 1.0593 0.6923 0.7208 0.1001 -0.0208 0.0124 42 TYR u CE1 +45868 C CE2 . TYR GA 42 ? 1.0807 0.7255 0.7510 0.0977 -0.0223 0.0144 42 TYR u CE2 +45869 C CZ . TYR GA 42 ? 1.1261 0.7716 0.7972 0.0984 -0.0214 0.0130 42 TYR u CZ +45870 O OH . TYR GA 42 ? 1.0768 0.7353 0.7580 0.0974 -0.0213 0.0121 42 TYR u OH +45871 N N . PRO GA 43 ? 1.0112 0.6176 0.6473 0.1186 -0.0241 0.0138 43 PRO u N +45872 C CA . PRO GA 43 ? 1.1443 0.7653 0.7907 0.1196 -0.0254 0.0142 43 PRO u CA +45873 C C . PRO GA 43 ? 1.0465 0.6686 0.6914 0.1265 -0.0276 0.0148 43 PRO u C +45874 O O . PRO GA 43 ? 1.0372 0.6702 0.6899 0.1267 -0.0288 0.0153 43 PRO u O +45875 C CB . PRO GA 43 ? 1.1188 0.7512 0.7740 0.1205 -0.0250 0.0126 43 PRO u CB +45876 C CG . PRO GA 43 ? 0.9893 0.6125 0.6366 0.1252 -0.0247 0.0116 43 PRO u CG +45877 C CD . PRO GA 43 ? 0.9343 0.5415 0.5706 0.1218 -0.0236 0.0122 43 PRO u CD +45878 N N . THR GA 44 ? 1.0888 0.7003 0.7242 0.1323 -0.0283 0.0148 44 THR u N +45879 C CA . THR GA 44 ? 1.0007 0.6143 0.6353 0.1399 -0.0305 0.0150 44 THR u CA +45880 C C . THR GA 44 ? 1.0816 0.6945 0.7150 0.1393 -0.0319 0.0166 44 THR u C +45881 O O . THR GA 44 ? 1.0538 0.6777 0.6944 0.1417 -0.0336 0.0167 44 THR u O +45882 C CB . THR GA 44 ? 1.2022 0.8027 0.8257 0.1458 -0.0308 0.0146 44 THR u CB +45883 O OG1 . THR GA 44 ? 1.0702 0.6704 0.6942 0.1458 -0.0294 0.0131 44 THR u OG1 +45884 C CG2 . THR GA 44 ? 1.0667 0.6704 0.6900 0.1544 -0.0333 0.0146 44 THR u CG2 +45885 N N . LEU GA 45 ? 0.9512 0.5511 0.5753 0.1359 -0.0311 0.0179 45 LEU u N +45886 C CA . LEU GA 45 ? 1.0349 0.6331 0.6568 0.1355 -0.0322 0.0195 45 LEU u CA +45887 C C . LEU GA 45 ? 1.1290 0.7399 0.7616 0.1300 -0.0321 0.0198 45 LEU u C +45888 O O . LEU GA 45 ? 1.0809 0.6982 0.7170 0.1317 -0.0338 0.0205 45 LEU u O +45889 C CB . LEU GA 45 ? 1.0112 0.5923 0.6205 0.1329 -0.0311 0.0208 45 LEU u CB +45890 C CG . LEU GA 45 ? 1.2108 0.7788 0.8082 0.1399 -0.0321 0.0210 45 LEU u CG +45891 C CD1 . LEU GA 45 ? 1.1374 0.6881 0.7222 0.1367 -0.0308 0.0224 45 LEU u CD1 +45892 C CD2 . LEU GA 45 ? 1.1703 0.7436 0.7690 0.1470 -0.0350 0.0214 45 LEU u CD2 +45893 N N . ALA GA 46 ? 1.0657 0.6805 0.7036 0.1236 -0.0301 0.0192 46 ALA u N +45894 C CA . ALA GA 46 ? 1.0348 0.6620 0.6833 0.1183 -0.0298 0.0194 46 ALA u CA +45895 C C . ALA GA 46 ? 1.0175 0.6598 0.6762 0.1224 -0.0317 0.0187 46 ALA u C +45896 O O . ALA GA 46 ? 0.9479 0.5978 0.6119 0.1214 -0.0328 0.0194 46 ALA u O +45897 C CB . ALA GA 46 ? 0.9905 0.6198 0.6431 0.1120 -0.0276 0.0186 46 ALA u CB +45898 N N . LYS GA 47 ? 1.0006 0.6473 0.6619 0.1271 -0.0321 0.0174 47 LYS u N +45899 C CA . LYS GA 47 ? 1.0366 0.6974 0.7074 0.1313 -0.0338 0.0167 47 LYS u CA +45900 C C . LYS GA 47 ? 1.0122 0.6726 0.6805 0.1362 -0.0363 0.0175 47 LYS u C +45901 O O . LYS GA 47 ? 1.0723 0.7431 0.7482 0.1357 -0.0375 0.0178 47 LYS u O +45902 C CB . LYS GA 47 ? 0.9922 0.6552 0.6642 0.1362 -0.0336 0.0151 47 LYS u CB +45903 C CG . LYS GA 47 ? 1.0652 0.7412 0.7456 0.1417 -0.0354 0.0142 47 LYS u CG +45904 C CD . LYS GA 47 ? 1.0843 0.7623 0.7659 0.1456 -0.0346 0.0126 47 LYS u CD +45905 C CE . LYS GA 47 ? 1.3646 1.0562 1.0551 0.1509 -0.0362 0.0116 47 LYS u CE +45906 N NZ . LYS GA 47 ? 1.4681 1.1634 1.1613 0.1540 -0.0351 0.0100 47 LYS u NZ +45907 N N . LEU GA 48 ? 1.1016 0.7495 0.7589 0.1409 -0.0371 0.0180 48 LEU u N +45908 C CA . LEU GA 48 ? 1.0860 0.7324 0.7399 0.1463 -0.0397 0.0188 48 LEU u CA +45909 C C . LEU GA 48 ? 0.9653 0.6116 0.6192 0.1419 -0.0400 0.0203 48 LEU u C +45910 O O . LEU GA 48 ? 0.9701 0.6238 0.6281 0.1443 -0.0421 0.0205 48 LEU u O +45911 C CB . LEU GA 48 ? 1.0562 0.6873 0.6969 0.1515 -0.0401 0.0192 48 LEU u CB +45912 C CG . LEU GA 48 ? 1.0978 0.7294 0.7383 0.1574 -0.0403 0.0177 48 LEU u CG +45913 C CD1 . LEU GA 48 ? 1.0531 0.6682 0.6800 0.1617 -0.0405 0.0180 48 LEU u CD1 +45914 C CD2 . LEU GA 48 ? 1.0957 0.7407 0.7446 0.1633 -0.0427 0.0167 48 LEU u CD2 +45915 N N . ILE GA 49 ? 0.9943 0.6326 0.6438 0.1353 -0.0379 0.0212 49 ILE u N +45916 C CA . ILE GA 49 ? 0.9539 0.5915 0.6030 0.1308 -0.0378 0.0226 49 ILE u CA +45917 C C . ILE GA 49 ? 1.0901 0.7439 0.7522 0.1279 -0.0383 0.0221 49 ILE u C +45918 O O . ILE GA 49 ? 0.9947 0.6534 0.6592 0.1289 -0.0400 0.0228 49 ILE u O +45919 C CB . ILE GA 49 ? 1.0901 0.7164 0.7326 0.1242 -0.0352 0.0234 49 ILE u CB +45920 C CG1 . ILE GA 49 ? 1.0673 0.6766 0.6960 0.1272 -0.0348 0.0239 49 ILE u CG1 +45921 C CG2 . ILE GA 49 ? 0.9697 0.5965 0.6129 0.1190 -0.0348 0.0247 49 ILE u CG2 +45922 C CD1 . ILE GA 49 ? 0.9997 0.5974 0.6216 0.1208 -0.0321 0.0246 49 ILE u CD1 +45923 N N . VAL GA 50 ? 1.0972 0.7593 0.7676 0.1243 -0.0368 0.0211 50 VAL u N +45924 C CA . VAL GA 50 ? 1.0106 0.6878 0.6933 0.1211 -0.0370 0.0207 50 VAL u CA +45925 C C . VAL GA 50 ? 0.8476 0.5358 0.5369 0.1270 -0.0395 0.0199 50 VAL u C +45926 O O . VAL GA 50 ? 0.9496 0.6465 0.6451 0.1262 -0.0408 0.0202 50 VAL u O +45927 C CB . VAL GA 50 ? 1.0134 0.6960 0.7026 0.1164 -0.0348 0.0197 50 VAL u CB +45928 C CG1 . VAL GA 50 ? 0.8711 0.5693 0.5729 0.1136 -0.0351 0.0192 50 VAL u CG1 +45929 C CG2 . VAL GA 50 ? 0.9117 0.5842 0.5951 0.1102 -0.0325 0.0203 50 VAL u CG2 +45930 N N . LYS GA 51 ? 1.0064 0.6942 0.6943 0.1331 -0.0403 0.0189 51 LYS u N +45931 C CA . LYS GA 51 ? 0.9511 0.6494 0.6452 0.1390 -0.0427 0.0181 51 LYS u CA +45932 C C . LYS GA 51 ? 1.1916 0.8883 0.8824 0.1421 -0.0453 0.0191 51 LYS u C +45933 O O . LYS GA 51 ? 1.0071 0.7153 0.7057 0.1442 -0.0472 0.0186 51 LYS u O +45934 C CB . LYS GA 51 ? 1.0953 0.7909 0.7863 0.1455 -0.0431 0.0170 51 LYS u CB +45935 C CG . LYS GA 51 ? 1.5315 1.2417 1.2333 0.1490 -0.0440 0.0154 51 LYS u CG +45936 C CD . LYS GA 51 ? 1.3118 1.0314 1.0229 0.1435 -0.0417 0.0147 51 LYS u CD +45937 C CE . LYS GA 51 ? 1.4342 1.1669 1.1549 0.1475 -0.0422 0.0131 51 LYS u CE +45938 N NZ . LYS GA 51 ? 1.2547 1.0004 0.9869 0.1424 -0.0411 0.0126 51 LYS u NZ +45939 N N . ASN GA 52 ? 0.9851 0.6677 0.6643 0.1424 -0.0454 0.0204 52 ASN u N +45940 C CA . ASN GA 52 ? 1.1385 0.8180 0.8129 0.1464 -0.0480 0.0213 52 ASN u CA +45941 C C . ASN GA 52 ? 1.0851 0.7628 0.7583 0.1411 -0.0477 0.0227 52 ASN u C +45942 O O . ASN GA 52 ? 1.0969 0.7719 0.7659 0.1439 -0.0498 0.0235 52 ASN u O +45943 C CB . ASN GA 52 ? 0.9603 0.6251 0.6217 0.1518 -0.0487 0.0218 52 ASN u CB +45944 C CG . ASN GA 52 ? 1.0479 0.7157 0.7108 0.1586 -0.0496 0.0204 52 ASN u CG +45945 O OD1 . ASN GA 52 ? 1.1243 0.7980 0.7896 0.1647 -0.0523 0.0198 52 ASN u OD1 +45946 N ND2 . ASN GA 52 ? 1.0661 0.7304 0.7278 0.1575 -0.0474 0.0196 52 ASN u ND2 +45947 N N . ALA GA 53 ? 1.0984 0.7777 0.7753 0.1337 -0.0452 0.0230 53 ALA u N +45948 C CA . ALA GA 53 ? 0.9635 0.6432 0.6410 0.1285 -0.0449 0.0241 53 ALA u CA +45949 C C . ALA GA 53 ? 0.9310 0.6238 0.6173 0.1301 -0.0473 0.0237 53 ALA u C +45950 O O . ALA GA 53 ? 0.9910 0.6941 0.6847 0.1340 -0.0488 0.0224 53 ALA u O +45951 C CB . ALA GA 53 ? 0.9045 0.5858 0.5862 0.1206 -0.0419 0.0241 53 ALA u CB +45952 N N . PRO GA 54 ? 1.0134 0.7056 0.6986 0.1275 -0.0478 0.0248 54 PRO u N +45953 C CA . PRO GA 54 ? 1.0433 0.7234 0.7194 0.1235 -0.0463 0.0264 54 PRO u CA +45954 C C . PRO GA 54 ? 1.1918 0.8589 0.8553 0.1286 -0.0478 0.0275 54 PRO u C +45955 O O . PRO GA 54 ? 1.0223 0.6905 0.6844 0.1354 -0.0504 0.0270 54 PRO u O +45956 C CB . PRO GA 54 ? 0.9353 0.6233 0.6176 0.1194 -0.0466 0.0268 54 PRO u CB +45957 C CG . PRO GA 54 ? 0.9623 0.6628 0.6527 0.1239 -0.0496 0.0258 54 PRO u CG +45958 C CD . PRO GA 54 ? 0.8979 0.6034 0.5926 0.1276 -0.0498 0.0243 54 PRO u CD +45959 N N . TYR GA 55 ? 0.9773 0.6323 0.6319 0.1248 -0.0459 0.0289 55 TYR u N +45960 C CA . TYR GA 55 ? 1.0387 0.6787 0.6797 0.1280 -0.0464 0.0302 55 TYR u CA +45961 C C . TYR GA 55 ? 1.0939 0.7305 0.7314 0.1245 -0.0461 0.0316 55 TYR u C +45962 O O . TYR GA 55 ? 1.0376 0.6776 0.6797 0.1178 -0.0440 0.0319 55 TYR u O +45963 C CB . TYR GA 55 ? 0.9097 0.5365 0.5422 0.1263 -0.0438 0.0305 55 TYR u CB +45964 C CG . TYR GA 55 ? 1.0779 0.7081 0.7141 0.1290 -0.0436 0.0290 55 TYR u CG +45965 C CD1 . TYR GA 55 ? 0.9225 0.5494 0.5541 0.1367 -0.0457 0.0286 55 TYR u CD1 +45966 C CD2 . TYR GA 55 ? 1.0195 0.6565 0.6637 0.1241 -0.0415 0.0280 55 TYR u CD2 +45967 C CE1 . TYR GA 55 ? 1.0007 0.6308 0.6357 0.1393 -0.0455 0.0272 55 TYR u CE1 +45968 C CE2 . TYR GA 55 ? 0.9939 0.6339 0.6411 0.1267 -0.0414 0.0267 55 TYR u CE2 +45969 C CZ . TYR GA 55 ? 0.9985 0.6351 0.6412 0.1343 -0.0433 0.0262 55 TYR u CZ +45970 O OH . TYR GA 55 ? 0.9587 0.5983 0.6043 0.1371 -0.0430 0.0248 55 TYR u OH +45971 N N . GLU GA 56 ? 1.1068 0.7367 0.7362 0.1292 -0.0483 0.0326 56 GLU u N +45972 C CA . GLU GA 56 ? 1.1712 0.7958 0.7954 0.1261 -0.0478 0.0341 56 GLU u CA +45973 C C . GLU GA 56 ? 1.0245 0.6343 0.6385 0.1216 -0.0445 0.0354 56 GLU u C +45974 O O . GLU GA 56 ? 1.1503 0.7582 0.7634 0.1161 -0.0427 0.0364 56 GLU u O +45975 C CB . GLU GA 56 ? 1.1306 0.7522 0.7487 0.1325 -0.0512 0.0347 56 GLU u CB +45976 C CG . GLU GA 56 ? 1.6473 1.2837 1.2755 0.1367 -0.0545 0.0334 56 GLU u CG +45977 C CD . GLU GA 56 ? 2.0271 1.6607 1.6493 0.1422 -0.0579 0.0340 56 GLU u CD +45978 O OE1 . GLU GA 56 ? 1.7102 1.3300 1.3201 0.1425 -0.0574 0.0356 56 GLU u OE1 +45979 O OE2 . GLU GA 56 ? 2.1309 1.7760 1.7605 0.1461 -0.0610 0.0329 56 GLU u OE2 +45980 N N . SER GA 57 ? 1.1354 0.7346 0.7416 0.1238 -0.0437 0.0355 57 SER u N +45981 C CA . SER GA 57 ? 1.0124 0.5972 0.6088 0.1195 -0.0406 0.0367 57 SER u CA +45982 C C . SER GA 57 ? 1.0625 0.6429 0.6574 0.1201 -0.0393 0.0358 57 SER u C +45983 O O . SER GA 57 ? 1.0689 0.6545 0.6673 0.1253 -0.0412 0.0346 57 SER u O +45984 C CB . SER GA 57 ? 1.1661 0.7366 0.7486 0.1226 -0.0412 0.0384 57 SER u CB +45985 O OG . SER GA 57 ? 1.2606 0.8275 0.8379 0.1309 -0.0441 0.0382 57 SER u OG +45986 N N . VAL GA 58 ? 1.0163 0.5871 0.6060 0.1145 -0.0360 0.0364 58 VAL u N +45987 C CA . VAL GA 58 ? 1.0460 0.6120 0.6342 0.1141 -0.0345 0.0355 58 VAL u CA +45988 C C . VAL GA 58 ? 1.1149 0.6731 0.6950 0.1221 -0.0364 0.0354 58 VAL u C +45989 O O . VAL GA 58 ? 1.0912 0.6531 0.6749 0.1249 -0.0369 0.0340 58 VAL u O +45990 C CB . VAL GA 58 ? 1.1508 0.7053 0.7324 0.1073 -0.0308 0.0363 58 VAL u CB +45991 C CG1 . VAL GA 58 ? 1.2032 0.7509 0.7814 0.1075 -0.0295 0.0354 58 VAL u CG1 +45992 C CG2 . VAL GA 58 ? 1.1482 0.7121 0.7394 0.0996 -0.0289 0.0360 58 VAL u CG2 +45993 N N . GLU GA 59 ? 1.0122 0.5595 0.5813 0.1259 -0.0376 0.0368 59 GLU u N +45994 C CA . GLU GA 59 ? 1.0743 0.6116 0.6339 0.1331 -0.0391 0.0368 59 GLU u CA +45995 C C . GLU GA 59 ? 1.0308 0.5792 0.5970 0.1405 -0.0426 0.0355 59 GLU u C +45996 O O . GLU GA 59 ? 1.1267 0.6701 0.6882 0.1464 -0.0438 0.0350 59 GLU u O +45997 C CB . GLU GA 59 ? 1.0163 0.5375 0.5612 0.1350 -0.0391 0.0387 59 GLU u CB +45998 C CG . GLU GA 59 ? 1.2333 0.7582 0.7780 0.1370 -0.0413 0.0397 59 GLU u CG +45999 C CD . GLU GA 59 ? 1.2789 0.8037 0.8245 0.1294 -0.0389 0.0408 59 GLU u CD +46000 O OE1 . GLU GA 59 ? 1.2431 0.7675 0.7916 0.1224 -0.0357 0.0406 59 GLU u OE1 +46001 O OE2 . GLU GA 59 ? 1.4148 0.9397 0.9581 0.1306 -0.0403 0.0418 59 GLU u OE2 +46002 N N . ASP GA 60 ? 1.0228 0.5865 0.6003 0.1402 -0.0442 0.0349 60 ASP u N +46003 C CA . ASP GA 60 ? 1.0481 0.6243 0.6340 0.1464 -0.0473 0.0334 60 ASP u CA +46004 C C . ASP GA 60 ? 1.0243 0.6055 0.6161 0.1469 -0.0464 0.0318 60 ASP u C +46005 O O . ASP GA 60 ? 1.1229 0.7109 0.7187 0.1531 -0.0487 0.0306 60 ASP u O +46006 C CB . ASP GA 60 ? 1.1137 0.7054 0.7112 0.1445 -0.0487 0.0330 60 ASP u CB +46007 C CG . ASP GA 60 ? 1.2765 0.8650 0.8685 0.1467 -0.0507 0.0343 60 ASP u CG +46008 O OD1 . ASP GA 60 ? 1.2052 0.7882 0.7902 0.1538 -0.0533 0.0346 60 ASP u OD1 +46009 O OD2 . ASP GA 60 ? 1.3246 0.9153 0.9188 0.1413 -0.0497 0.0351 60 ASP u OD2 +46010 N N . VAL GA 61 ? 1.0373 0.6153 0.6296 0.1407 -0.0432 0.0316 61 VAL u N +46011 C CA . VAL GA 61 ? 1.1012 0.6830 0.6982 0.1412 -0.0424 0.0300 61 VAL u CA +46012 C C . VAL GA 61 ? 1.1498 0.7206 0.7370 0.1480 -0.0432 0.0299 61 VAL u C +46013 O O . VAL GA 61 ? 1.0993 0.6752 0.6908 0.1514 -0.0437 0.0284 61 VAL u O +46014 C CB . VAL GA 61 ? 1.1424 0.7223 0.7413 0.1329 -0.0388 0.0299 61 VAL u CB +46015 C CG1 . VAL GA 61 ? 1.1050 0.6665 0.6904 0.1313 -0.0368 0.0310 61 VAL u CG1 +46016 C CG2 . VAL GA 61 ? 1.0597 0.6497 0.6683 0.1323 -0.0382 0.0281 61 VAL u CG2 +46017 N N . LEU GA 62 ? 1.1118 0.6675 0.6857 0.1502 -0.0435 0.0313 62 LEU u N +46018 C CA . LEU GA 62 ? 1.1973 0.7415 0.7610 0.1569 -0.0444 0.0313 62 LEU u CA +46019 C C . LEU GA 62 ? 1.0900 0.6420 0.6570 0.1657 -0.0480 0.0304 62 LEU u C +46020 O O . LEU GA 62 ? 1.0737 0.6193 0.6349 0.1718 -0.0489 0.0298 62 LEU u O +46021 C CB . LEU GA 62 ? 1.1624 0.6884 0.7108 0.1572 -0.0438 0.0332 62 LEU u CB +46022 C CG . LEU GA 62 ? 1.1898 0.7061 0.7332 0.1488 -0.0402 0.0342 62 LEU u CG +46023 C CD1 . LEU GA 62 ? 1.1390 0.6384 0.6678 0.1495 -0.0399 0.0362 62 LEU u CD1 +46024 C CD2 . LEU GA 62 ? 1.0935 0.6056 0.6363 0.1465 -0.0380 0.0331 62 LEU u CD2 +46025 N N . ASN GA 63 ? 1.0896 0.6551 0.6659 0.1664 -0.0501 0.0301 63 ASN u N +46026 C CA . ASN GA 63 ? 1.0416 0.6151 0.6213 0.1743 -0.0537 0.0293 63 ASN u CA +46027 C C . ASN GA 63 ? 1.1390 0.7293 0.7326 0.1757 -0.0543 0.0273 63 ASN u C +46028 O O . ASN GA 63 ? 1.1203 0.7202 0.7193 0.1814 -0.0573 0.0265 63 ASN u O +46029 C CB . ASN GA 63 ? 1.0129 0.5904 0.5935 0.1746 -0.0559 0.0303 63 ASN u CB +46030 C CG . ASN GA 63 ? 1.1237 0.6844 0.6894 0.1757 -0.0561 0.0323 63 ASN u CG +46031 O OD1 . ASN GA 63 ? 1.1971 0.7431 0.7516 0.1769 -0.0548 0.0330 63 ASN u OD1 +46032 N ND2 . ASN GA 63 ? 1.0824 0.6452 0.6478 0.1754 -0.0576 0.0333 63 ASN u ND2 +46033 N N . ILE GA 64 ? 1.1584 0.7525 0.7579 0.1704 -0.0516 0.0265 64 ILE u N +46034 C CA . ILE GA 64 ? 1.1359 0.7451 0.7479 0.1715 -0.0519 0.0246 64 ILE u CA +46035 C C . ILE GA 64 ? 1.1135 0.7215 0.7229 0.1802 -0.0537 0.0235 64 ILE u C +46036 O O . ILE GA 64 ? 1.1879 0.7827 0.7871 0.1824 -0.0528 0.0237 64 ILE u O +46037 C CB . ILE GA 64 ? 1.1487 0.7594 0.7651 0.1648 -0.0485 0.0240 64 ILE u CB +46038 C CG1 . ILE GA 64 ? 1.1374 0.7517 0.7584 0.1563 -0.0468 0.0248 64 ILE u CG1 +46039 C CG2 . ILE GA 64 ? 1.1135 0.7378 0.7410 0.1668 -0.0487 0.0220 64 ILE u CG2 +46040 C CD1 . ILE GA 64 ? 1.1258 0.7372 0.7476 0.1495 -0.0435 0.0245 64 ILE u CD1 +46041 N N . PRO GA 65 ? 1.1458 0.7672 0.7641 0.1853 -0.0562 0.0222 65 PRO u N +46042 C CA . PRO GA 65 ? 1.3038 0.9246 0.9200 0.1937 -0.0579 0.0211 65 PRO u CA +46043 C C . PRO GA 65 ? 1.2185 0.8374 0.8351 0.1931 -0.0554 0.0199 65 PRO u C +46044 O O . PRO GA 65 ? 1.2197 0.8457 0.8442 0.1872 -0.0532 0.0193 65 PRO u O +46045 C CB . PRO GA 65 ? 1.2768 0.9153 0.9054 0.1973 -0.0606 0.0198 65 PRO u CB +46046 C CG . PRO GA 65 ? 1.2695 0.9146 0.9035 0.1917 -0.0608 0.0206 65 PRO u CG +46047 C CD . PRO GA 65 ? 1.1850 0.8229 0.8160 0.1833 -0.0575 0.0217 65 PRO u CD +46048 N N . GLY GA 66 ? 1.3869 0.9955 0.9944 0.1992 -0.0559 0.0197 66 GLY u N +46049 C CA . GLY GA 66 ? 1.2500 0.8563 0.8571 0.2000 -0.0539 0.0184 66 GLY u CA +46050 C C . GLY GA 66 ? 1.3088 0.9018 0.9079 0.1941 -0.0508 0.0192 66 GLY u C +46051 O O . GLY GA 66 ? 1.3023 0.8938 0.9015 0.1940 -0.0490 0.0180 66 GLY u O +46052 N N . LEU GA 67 ? 1.2439 0.8273 0.8361 0.1890 -0.0499 0.0209 67 LEU u N +46053 C CA . LEU GA 67 ? 1.1926 0.7618 0.7759 0.1840 -0.0470 0.0216 67 LEU u CA +46054 C C . LEU GA 67 ? 1.1676 0.7222 0.7386 0.1901 -0.0473 0.0215 67 LEU u C +46055 O O . LEU GA 67 ? 1.3520 0.9029 0.9175 0.1973 -0.0498 0.0218 67 LEU u O +46056 C CB . LEU GA 67 ? 1.1155 0.6767 0.6931 0.1781 -0.0462 0.0235 67 LEU u CB +46057 C CG . LEU GA 67 ? 1.1676 0.7408 0.7559 0.1709 -0.0454 0.0238 67 LEU u CG +46058 C CD1 . LEU GA 67 ? 1.1133 0.6763 0.6939 0.1661 -0.0445 0.0257 67 LEU u CD1 +46059 C CD2 . LEU GA 67 ? 1.0438 0.6237 0.6400 0.1651 -0.0428 0.0226 67 LEU u CD2 +46060 N N . THR GA 68 ? 1.3534 0.9001 0.9201 0.1875 -0.0448 0.0209 68 THR u N +46061 C CA . THR GA 68 ? 1.1604 0.6905 0.7136 0.1921 -0.0447 0.0211 68 THR u CA +46062 C C . THR GA 68 ? 1.2824 0.7963 0.8233 0.1887 -0.0439 0.0231 68 THR u C +46063 O O . THR GA 68 ? 1.1890 0.7047 0.7323 0.1821 -0.0430 0.0242 68 THR u O +46064 C CB . THR GA 68 ? 1.1805 0.7071 0.7330 0.1905 -0.0423 0.0197 68 THR u CB +46065 O OG1 . THR GA 68 ? 1.1900 0.7134 0.7428 0.1813 -0.0395 0.0201 68 THR u OG1 +46066 C CG2 . THR GA 68 ? 1.0829 0.6253 0.6474 0.1934 -0.0428 0.0177 68 THR u CG2 +46067 N N . GLU GA 69 ? 1.2335 0.7311 0.7609 0.1932 -0.0440 0.0235 69 GLU u N +46068 C CA . GLU GA 69 ? 1.2216 0.7023 0.7361 0.1903 -0.0430 0.0254 69 GLU u CA +46069 C C . GLU GA 69 ? 1.1341 0.6089 0.6473 0.1810 -0.0395 0.0256 69 GLU u C +46070 O O . GLU GA 69 ? 1.2350 0.7037 0.7443 0.1752 -0.0382 0.0271 69 GLU u O +46071 C CB . GLU GA 69 ? 1.2984 0.7631 0.7987 0.1978 -0.0441 0.0258 69 GLU u CB +46072 C CG . GLU GA 69 ? 1.2079 0.6772 0.7082 0.2073 -0.0479 0.0259 69 GLU u CG +46073 C CD . GLU GA 69 ? 1.4202 0.8925 0.9212 0.2063 -0.0495 0.0275 69 GLU u CD +46074 O OE1 . GLU GA 69 ? 1.4438 0.9060 0.9377 0.2008 -0.0480 0.0292 69 GLU u OE1 +46075 O OE2 . GLU GA 69 ? 1.4281 0.9133 0.9371 0.2108 -0.0523 0.0270 69 GLU u OE2 +46076 N N . ARG GA 70 ? 1.1770 0.6537 0.6935 0.1795 -0.0379 0.0240 70 ARG u N +46077 C CA . ARG GA 70 ? 1.1981 0.6710 0.7148 0.1705 -0.0348 0.0239 70 ARG u CA +46078 C C . ARG GA 70 ? 1.2717 0.7579 0.8000 0.1634 -0.0341 0.0242 70 ARG u C +46079 O O . ARG GA 70 ? 1.2084 0.6892 0.7344 0.1561 -0.0321 0.0252 70 ARG u O +46080 C CB . ARG GA 70 ? 1.2252 0.6989 0.7441 0.1707 -0.0335 0.0220 70 ARG u CB +46081 C CG . ARG GA 70 ? 1.2417 0.7111 0.7604 0.1618 -0.0304 0.0216 70 ARG u CG +46082 C CD . ARG GA 70 ? 1.4582 0.9099 0.9642 0.1576 -0.0289 0.0232 70 ARG u CD +46083 N NE . ARG GA 70 ? 1.9135 1.3627 1.4207 0.1485 -0.0261 0.0229 70 ARG u NE +46084 C CZ . ARG GA 70 ? 1.8585 1.2979 1.3597 0.1421 -0.0243 0.0242 70 ARG u CZ +46085 N NH1 . ARG GA 70 ? 1.7435 1.1739 1.2363 0.1436 -0.0248 0.0261 70 ARG u NH1 +46086 N NH2 . ARG GA 70 ? 1.7613 1.2001 1.2649 0.1341 -0.0219 0.0236 70 ARG u NH2 +46087 N N . GLN GA 71 ? 1.1220 0.6256 0.6628 0.1656 -0.0358 0.0235 71 GLN u N +46088 C CA . GLN GA 71 ? 1.2979 0.8147 0.8500 0.1592 -0.0353 0.0237 71 GLN u CA +46089 C C . GLN GA 71 ? 1.1730 0.6853 0.7209 0.1566 -0.0356 0.0256 71 GLN u C +46090 O O . GLN GA 71 ? 1.1550 0.6688 0.7059 0.1490 -0.0338 0.0263 71 GLN u O +46091 C CB . GLN GA 71 ? 1.2203 0.7558 0.7858 0.1627 -0.0371 0.0224 71 GLN u CB +46092 C CG . GLN GA 71 ? 1.1859 0.7283 0.7580 0.1626 -0.0360 0.0205 71 GLN u CG +46093 C CD . GLN GA 71 ? 1.3307 0.8904 0.9149 0.1669 -0.0378 0.0192 71 GLN u CD +46094 O OE1 . GLN GA 71 ? 1.2449 0.8091 0.8303 0.1727 -0.0403 0.0195 71 GLN u OE1 +46095 N NE2 . GLN GA 71 ? 1.3139 0.8835 0.9073 0.1640 -0.0364 0.0178 71 GLN u NE2 +46096 N N . LYS GA 72 ? 1.2426 0.7492 0.7834 0.1630 -0.0378 0.0266 72 LYS u N +46097 C CA . LYS GA 72 ? 1.1823 0.6831 0.7176 0.1610 -0.0381 0.0286 72 LYS u CA +46098 C C . LYS GA 72 ? 1.0237 0.5086 0.5486 0.1548 -0.0352 0.0298 72 LYS u C +46099 O O . LYS GA 72 ? 1.1670 0.6510 0.6919 0.1490 -0.0341 0.0310 72 LYS u O +46100 C CB . LYS GA 72 ? 1.1632 0.6591 0.6913 0.1697 -0.0411 0.0293 72 LYS u CB +46101 C CG . LYS GA 72 ? 1.0917 0.6038 0.6303 0.1757 -0.0442 0.0282 72 LYS u CG +46102 C CD . LYS GA 72 ? 1.2383 0.7437 0.7684 0.1849 -0.0471 0.0287 72 LYS u CD +46103 C CE . LYS GA 72 ? 1.3190 0.8399 0.8590 0.1915 -0.0503 0.0274 72 LYS u CE +46104 N NZ . LYS GA 72 ? 1.2667 0.7796 0.7973 0.2008 -0.0533 0.0278 72 LYS u NZ +46105 N N . GLN GA 73 ? 1.1323 0.6048 0.6486 0.1556 -0.0339 0.0293 73 GLN u N +46106 C CA . GLN GA 73 ? 1.1853 0.6429 0.6922 0.1494 -0.0310 0.0302 73 GLN u CA +46107 C C . GLN GA 73 ? 1.1858 0.6508 0.7016 0.1402 -0.0285 0.0296 73 GLN u C +46108 O O . GLN GA 73 ? 1.1451 0.6043 0.6578 0.1335 -0.0265 0.0307 73 GLN u O +46109 C CB . GLN GA 73 ? 1.1919 0.6350 0.6879 0.1527 -0.0303 0.0296 73 GLN u CB +46110 C CG . GLN GA 73 ? 1.6256 1.0593 1.1113 0.1617 -0.0327 0.0304 73 GLN u CG +46111 C CD . GLN GA 73 ? 1.5608 0.9808 1.0362 0.1653 -0.0320 0.0296 73 GLN u CD +46112 O OE1 . GLN GA 73 ? 1.4321 0.8485 0.9074 0.1605 -0.0297 0.0286 73 GLN u OE1 +46113 N NE2 . GLN GA 73 ? 1.3758 0.7883 0.8429 0.1739 -0.0342 0.0300 73 GLN u NE2 +46114 N N . ILE GA 74 ? 1.2209 0.6985 0.7474 0.1398 -0.0286 0.0278 74 ILE u N +46115 C CA . ILE GA 74 ? 1.2063 0.6922 0.7420 0.1315 -0.0265 0.0271 74 ILE u CA +46116 C C . ILE GA 74 ? 1.1220 0.6176 0.6650 0.1275 -0.0267 0.0281 74 ILE u C +46117 O O . ILE GA 74 ? 1.1333 0.6271 0.6770 0.1199 -0.0246 0.0287 74 ILE u O +46118 C CB . ILE GA 74 ? 1.3431 0.8410 0.8889 0.1326 -0.0268 0.0250 74 ILE u CB +46119 C CG1 . ILE GA 74 ? 1.3395 0.8262 0.8772 0.1353 -0.0260 0.0240 74 ILE u CG1 +46120 C CG2 . ILE GA 74 ? 1.2506 0.7593 0.8072 0.1246 -0.0251 0.0244 74 ILE u CG2 +46121 C CD1 . ILE GA 74 ? 1.2898 0.7870 0.8353 0.1393 -0.0268 0.0220 74 ILE u CD1 +46122 N N . LEU GA 75 ? 0.9815 0.4870 0.5298 0.1325 -0.0293 0.0283 75 LEU u N +46123 C CA . LEU GA 75 ? 1.0477 0.5618 0.6023 0.1292 -0.0297 0.0293 75 LEU u CA +46124 C C . LEU GA 75 ? 1.1500 0.6511 0.6944 0.1258 -0.0284 0.0312 75 LEU u C +46125 O O . LEU GA 75 ? 1.1389 0.6432 0.6872 0.1189 -0.0268 0.0318 75 LEU u O +46126 C CB . LEU GA 75 ? 1.1217 0.6468 0.6820 0.1359 -0.0329 0.0292 75 LEU u CB +46127 C CG . LEU GA 75 ? 1.1786 0.7201 0.7519 0.1375 -0.0338 0.0274 75 LEU u CG +46128 C CD1 . LEU GA 75 ? 1.1858 0.7371 0.7639 0.1445 -0.0371 0.0272 75 LEU u CD1 +46129 C CD2 . LEU GA 75 ? 1.0387 0.5914 0.6231 0.1296 -0.0322 0.0270 75 LEU u CD2 +46130 N N . ARG GA 76 ? 1.1211 0.6070 0.6522 0.1303 -0.0289 0.0322 76 ARG u N +46131 C CA . ARG GA 76 ? 1.0737 0.5470 0.5947 0.1274 -0.0276 0.0342 76 ARG u CA +46132 C C . ARG GA 76 ? 1.1306 0.5963 0.6489 0.1188 -0.0240 0.0343 76 ARG u C +46133 O O . ARG GA 76 ? 1.1444 0.6069 0.6608 0.1133 -0.0224 0.0355 76 ARG u O +46134 C CB . ARG GA 76 ? 1.1300 0.5883 0.6368 0.1344 -0.0289 0.0352 76 ARG u CB +46135 C CG . ARG GA 76 ? 1.0891 0.5529 0.5965 0.1422 -0.0325 0.0357 76 ARG u CG +46136 C CD . ARG GA 76 ? 1.1091 0.5563 0.6012 0.1481 -0.0336 0.0371 76 ARG u CD +46137 N NE . ARG GA 76 ? 1.0722 0.5134 0.5592 0.1543 -0.0345 0.0360 76 ARG u NE +46138 C CZ . ARG GA 76 ? 1.1601 0.6094 0.6514 0.1622 -0.0375 0.0350 76 ARG u CZ +46139 N NH1 . ARG GA 76 ? 1.1204 0.5837 0.6206 0.1647 -0.0400 0.0349 76 ARG u NH1 +46140 N NH2 . ARG GA 76 ? 1.1042 0.5477 0.5909 0.1674 -0.0380 0.0340 76 ARG u NH2 +46141 N N . GLU GA 77 ? 1.0844 0.5469 0.6024 0.1174 -0.0228 0.0329 77 GLU u N +46142 C CA . GLU GA 77 ? 1.2742 0.7310 0.7909 0.1089 -0.0195 0.0327 77 GLU u CA +46143 C C . GLU GA 77 ? 1.3013 0.7722 0.8307 0.1020 -0.0185 0.0323 77 GLU u C +46144 O O . GLU GA 77 ? 1.2089 0.6758 0.7376 0.0945 -0.0159 0.0326 77 GLU u O +46145 C CB . GLU GA 77 ? 1.3118 0.7643 0.8271 0.1089 -0.0186 0.0311 77 GLU u CB +46146 C CG . GLU GA 77 ? 1.4597 0.8987 0.9631 0.1155 -0.0195 0.0311 77 GLU u CG +46147 C CD . GLU GA 77 ? 1.6191 1.0504 1.1190 0.1130 -0.0177 0.0298 77 GLU u CD +46148 O OE1 . GLU GA 77 ? 1.5494 0.9813 1.0526 0.1051 -0.0154 0.0293 77 GLU u OE1 +46149 O OE2 . GLU GA 77 ? 1.6801 1.1051 1.1743 0.1190 -0.0187 0.0291 77 GLU u OE2 +46150 N N . ASN GA 78 ? 1.1482 0.6356 0.6894 0.1042 -0.0204 0.0316 78 ASN u N +46151 C CA . ASN GA 78 ? 1.1728 0.6742 0.7266 0.0981 -0.0196 0.0311 78 ASN u CA +46152 C C . ASN GA 78 ? 1.2415 0.7511 0.8002 0.0976 -0.0206 0.0322 78 ASN u C +46153 O O . ASN GA 78 ? 1.1669 0.6887 0.7363 0.0928 -0.0200 0.0318 78 ASN u O +46154 C CB . ASN GA 78 ? 1.0639 0.5786 0.6285 0.0998 -0.0207 0.0292 78 ASN u CB +46155 C CG . ASN GA 78 ? 1.1042 0.6127 0.6662 0.0979 -0.0191 0.0278 78 ASN u CG +46156 O OD1 . ASN GA 78 ? 1.2326 0.7396 0.7960 0.0908 -0.0169 0.0275 78 ASN u OD1 +46157 N ND2 . ASN GA 78 ? 1.1569 0.6616 0.7148 0.1042 -0.0203 0.0270 78 ASN u ND2 +46158 N N . LEU GA 79 ? 1.1721 0.6752 0.7230 0.1022 -0.0220 0.0337 79 LEU u N +46159 C CA . LEU GA 79 ? 1.1761 0.6869 0.7314 0.1018 -0.0230 0.0347 79 LEU u CA +46160 C C . LEU GA 79 ? 0.9879 0.4984 0.5449 0.0934 -0.0204 0.0354 79 LEU u C +46161 O O . LEU GA 79 ? 1.1478 0.6700 0.7137 0.0910 -0.0207 0.0355 79 LEU u O +46162 C CB . LEU GA 79 ? 1.0892 0.5910 0.6342 0.1080 -0.0249 0.0362 79 LEU u CB +46163 C CG . LEU GA 79 ? 1.4328 0.9360 0.9763 0.1173 -0.0281 0.0357 79 LEU u CG +46164 C CD1 . LEU GA 79 ? 1.2771 0.7699 0.8092 0.1225 -0.0297 0.0374 79 LEU u CD1 +46165 C CD2 . LEU GA 79 ? 1.3020 0.8240 0.8594 0.1196 -0.0304 0.0345 79 LEU u CD2 +46166 N N . GLU GA 80 ? 1.1342 0.6319 0.6832 0.0887 -0.0176 0.0358 80 GLU u N +46167 C CA . GLU GA 80 ? 1.1503 0.6478 0.7012 0.0803 -0.0148 0.0364 80 GLU u CA +46168 C C . GLU GA 80 ? 1.2157 0.7287 0.7809 0.0754 -0.0143 0.0349 80 GLU u C +46169 O O . GLU GA 80 ? 1.1276 0.6455 0.6977 0.0697 -0.0128 0.0353 80 GLU u O +46170 C CB . GLU GA 80 ? 1.2100 0.6916 0.7506 0.0762 -0.0119 0.0367 80 GLU u CB +46171 C CG . GLU GA 80 ? 1.3672 0.8473 0.9087 0.0760 -0.0115 0.0350 80 GLU u CG +46172 C CD . GLU GA 80 ? 1.5178 0.9834 1.0506 0.0706 -0.0085 0.0351 80 GLU u CD +46173 O OE1 . GLU GA 80 ? 1.6597 1.1216 1.1908 0.0644 -0.0061 0.0360 80 GLU u OE1 +46174 O OE2 . GLU GA 80 ? 1.6108 1.0687 1.1384 0.0725 -0.0084 0.0342 80 GLU u OE2 +46175 N N . HIS GA 81 ? 1.0616 0.5819 0.6331 0.0777 -0.0154 0.0333 81 HIS u N +46176 C CA . HIS GA 81 ? 1.1645 0.6990 0.7491 0.0735 -0.0151 0.0319 81 HIS u CA +46177 C C . HIS GA 81 ? 1.1060 0.6562 0.7012 0.0763 -0.0173 0.0317 81 HIS u C +46178 O O . HIS GA 81 ? 1.1278 0.6904 0.7340 0.0729 -0.0171 0.0307 81 HIS u O +46179 C CB . HIS GA 81 ? 1.1008 0.6353 0.6868 0.0743 -0.0150 0.0302 81 HIS u CB +46180 C CG . HIS GA 81 ? 1.2541 0.7740 0.8307 0.0710 -0.0127 0.0302 81 HIS u CG +46181 N ND1 . HIS GA 81 ? 1.2555 0.7665 0.8250 0.0749 -0.0130 0.0295 81 HIS u ND1 +46182 C CD2 . HIS GA 81 ? 1.0958 0.6084 0.6688 0.0641 -0.0100 0.0306 81 HIS u CD2 +46183 C CE1 . HIS GA 81 ? 1.1487 0.6473 0.7106 0.0704 -0.0107 0.0295 81 HIS u CE1 +46184 N NE2 . HIS GA 81 ? 1.2037 0.7031 0.7676 0.0638 -0.0088 0.0302 81 HIS u NE2 +46185 N N . PHE GA 82 ? 1.1658 0.7159 0.7579 0.0822 -0.0195 0.0326 82 PHE u N +46186 C CA . PHE GA 82 ? 0.9912 0.5561 0.5933 0.0852 -0.0219 0.0322 82 PHE u CA +46187 C C . PHE GA 82 ? 1.0710 0.6390 0.6745 0.0827 -0.0219 0.0335 82 PHE u C +46188 O O . PHE GA 82 ? 1.0476 0.6050 0.6427 0.0804 -0.0204 0.0348 82 PHE u O +46189 C CB . PHE GA 82 ? 1.0057 0.5704 0.6049 0.0939 -0.0248 0.0321 82 PHE u CB +46190 C CG . PHE GA 82 ? 1.1238 0.6867 0.7222 0.0971 -0.0250 0.0308 82 PHE u CG +46191 C CD1 . PHE GA 82 ? 1.0485 0.6151 0.6525 0.0924 -0.0233 0.0295 82 PHE u CD1 +46192 C CD2 . PHE GA 82 ? 1.0296 0.5874 0.6219 0.1048 -0.0270 0.0307 82 PHE u CD2 +46193 C CE1 . PHE GA 82 ? 1.0664 0.6315 0.6697 0.0953 -0.0234 0.0282 82 PHE u CE1 +46194 C CE2 . PHE GA 82 ? 1.1666 0.7230 0.7583 0.1078 -0.0271 0.0294 82 PHE u CE2 +46195 C CZ . PHE GA 82 ? 1.1153 0.6752 0.7124 0.1030 -0.0253 0.0281 82 PHE u CZ +46196 N N . THR GA 83 ? 0.9773 0.5602 0.5919 0.0830 -0.0234 0.0330 83 THR u N +46197 C CA . THR GA 83 ? 0.9343 0.5214 0.5505 0.0825 -0.0241 0.0340 83 THR u CA +46198 C C . THR GA 83 ? 0.9764 0.5771 0.6015 0.0872 -0.0271 0.0333 83 THR u C +46199 O O . THR GA 83 ? 1.0325 0.6398 0.6629 0.0903 -0.0283 0.0320 83 THR u O +46200 C CB . THR GA 83 ? 1.0154 0.6066 0.6370 0.0746 -0.0218 0.0342 83 THR u CB +46201 O OG1 . THR GA 83 ? 1.0240 0.6166 0.6448 0.0746 -0.0224 0.0354 83 THR u OG1 +46202 C CG2 . THR GA 83 ? 0.9601 0.5667 0.5954 0.0720 -0.0219 0.0327 83 THR u CG2 +46203 N N . VAL GA 84 ? 0.9220 0.5269 0.5486 0.0878 -0.0283 0.0341 84 VAL u N +46204 C CA . VAL GA 84 ? 1.0420 0.6612 0.6784 0.0909 -0.0309 0.0333 84 VAL u CA +46205 C C . VAL GA 84 ? 0.9564 0.5822 0.5981 0.0863 -0.0304 0.0339 84 VAL u C +46206 O O . VAL GA 84 ? 1.0017 0.6193 0.6365 0.0838 -0.0292 0.0352 84 VAL u O +46207 C CB . VAL GA 84 ? 1.1319 0.7496 0.7639 0.0990 -0.0341 0.0335 84 VAL u CB +46208 C CG1 . VAL GA 84 ? 1.0913 0.7051 0.7201 0.1041 -0.0349 0.0327 84 VAL u CG1 +46209 C CG2 . VAL GA 84 ? 1.1153 0.7215 0.7362 0.1001 -0.0343 0.0352 84 VAL u CG2 +46210 N N . THR GA 85 ? 0.9824 0.6227 0.6362 0.0848 -0.0311 0.0328 85 THR u N +46211 C CA . THR GA 85 ? 0.9127 0.5613 0.5727 0.0817 -0.0312 0.0331 85 THR u CA +46212 C C . THR GA 85 ? 0.9836 0.6457 0.6529 0.0857 -0.0341 0.0321 85 THR u C +46213 O O . THR GA 85 ? 0.9323 0.5973 0.6034 0.0904 -0.0356 0.0312 85 THR u O +46214 C CB . THR GA 85 ? 0.9950 0.6477 0.6612 0.0741 -0.0285 0.0328 85 THR u CB +46215 O OG1 . THR GA 85 ? 0.9954 0.6580 0.6711 0.0735 -0.0285 0.0314 85 THR u OG1 +46216 C CG2 . THR GA 85 ? 0.9618 0.6015 0.6195 0.0699 -0.0255 0.0336 85 THR u CG2 +46217 N N . GLU GA 86 ? 0.8950 0.5653 0.5701 0.0839 -0.0348 0.0322 86 GLU u N +46218 C CA . GLU GA 86 ? 0.9940 0.6776 0.6784 0.0871 -0.0375 0.0313 86 GLU u CA +46219 C C . GLU GA 86 ? 0.9681 0.6614 0.6622 0.0861 -0.0370 0.0298 86 GLU u C +46220 O O . GLU GA 86 ? 0.9577 0.6517 0.6549 0.0809 -0.0346 0.0295 86 GLU u O +46221 C CB . GLU GA 86 ? 0.9855 0.6759 0.6748 0.0840 -0.0378 0.0316 86 GLU u CB +46222 C CG . GLU GA 86 ? 1.4571 1.1404 1.1381 0.0862 -0.0390 0.0328 86 GLU u CG +46223 C CD . GLU GA 86 ? 2.0196 1.7101 1.7035 0.0920 -0.0427 0.0323 86 GLU u CD +46224 O OE1 . GLU GA 86 ? 1.6278 1.3133 1.3058 0.0980 -0.0446 0.0324 86 GLU u OE1 +46225 O OE2 . GLU GA 86 ? 1.9869 1.6879 1.6788 0.0906 -0.0437 0.0318 86 GLU u OE2 +46226 N N . VAL GA 87 ? 0.9299 0.6309 0.6288 0.0913 -0.0394 0.0288 87 VAL u N +46227 C CA . VAL GA 87 ? 0.9753 0.6868 0.6840 0.0908 -0.0392 0.0274 87 VAL u CA +46228 C C . VAL GA 87 ? 1.0567 0.7781 0.7749 0.0850 -0.0381 0.0271 87 VAL u C +46229 O O . VAL GA 87 ? 0.9298 0.6565 0.6512 0.0844 -0.0392 0.0274 87 VAL u O +46230 C CB . VAL GA 87 ? 1.0044 0.7237 0.7174 0.0972 -0.0420 0.0264 87 VAL u CB +46231 C CG1 . VAL GA 87 ? 0.9805 0.7118 0.7046 0.0961 -0.0416 0.0250 87 VAL u CG1 +46232 C CG2 . VAL GA 87 ? 0.9259 0.6353 0.6297 0.1030 -0.0429 0.0265 87 VAL u CG2 +46233 N N . GLU GA 88 ? 0.9241 0.6475 0.6464 0.0807 -0.0359 0.0266 88 GLU u N +46234 C CA . GLU GA 88 ? 0.8421 0.5753 0.5738 0.0755 -0.0348 0.0262 88 GLU u CA +46235 C C . GLU GA 88 ? 0.7791 0.5236 0.5202 0.0771 -0.0355 0.0248 88 GLU u C +46236 O O . GLU GA 88 ? 0.9185 0.6617 0.6597 0.0772 -0.0344 0.0242 88 GLU u O +46237 C CB . GLU GA 88 ? 0.8949 0.6225 0.6247 0.0694 -0.0319 0.0266 88 GLU u CB +46238 C CG . GLU GA 88 ? 0.9470 0.6848 0.6867 0.0642 -0.0308 0.0260 88 GLU u CG +46239 C CD . GLU GA 88 ? 1.0691 0.8157 0.8148 0.0637 -0.0321 0.0261 88 GLU u CD +46240 O OE1 . GLU GA 88 ? 1.0048 0.7468 0.7460 0.0628 -0.0322 0.0271 88 GLU u OE1 +46241 O OE2 . GLU GA 88 ? 1.0034 0.7613 0.7582 0.0643 -0.0331 0.0252 88 GLU u OE2 +46242 N N . THR GA 89 ? 0.8854 0.6406 0.6340 0.0783 -0.0372 0.0244 89 THR u N +46243 C CA . THR GA 89 ? 0.8904 0.6575 0.6488 0.0794 -0.0378 0.0231 89 THR u CA +46244 C C . THR GA 89 ? 0.7684 0.5378 0.5310 0.0753 -0.0355 0.0225 89 THR u C +46245 O O . THR GA 89 ? 0.9011 0.6739 0.6667 0.0774 -0.0354 0.0216 89 THR u O +46246 C CB . THR GA 89 ? 0.8830 0.6606 0.6491 0.0786 -0.0392 0.0229 89 THR u CB +46247 O OG1 . THR GA 89 ? 0.9875 0.7617 0.7487 0.0820 -0.0414 0.0235 89 THR u OG1 +46248 C CG2 . THR GA 89 ? 1.0023 0.7917 0.7777 0.0809 -0.0403 0.0216 89 THR u CG2 +46249 N N . ALA GA 90 ? 0.8314 0.5991 0.5944 0.0695 -0.0337 0.0230 90 ALA u N +46250 C CA . ALA GA 90 ? 0.7963 0.5670 0.5638 0.0656 -0.0317 0.0224 90 ALA u CA +46251 C C . ALA GA 90 ? 0.8620 0.6244 0.6235 0.0667 -0.0306 0.0222 90 ALA u C +46252 O O . ALA GA 90 ? 0.9366 0.7024 0.7021 0.0654 -0.0295 0.0213 90 ALA u O +46253 C CB . ALA GA 90 ? 0.7849 0.5549 0.5536 0.0593 -0.0300 0.0230 90 ALA u CB +46254 N N . LEU GA 91 ? 0.8744 0.6258 0.6264 0.0692 -0.0308 0.0228 91 LEU u N +46255 C CA . LEU GA 91 ? 0.8554 0.5982 0.6012 0.0701 -0.0297 0.0225 91 LEU u CA +46256 C C . LEU GA 91 ? 0.8877 0.6313 0.6327 0.0763 -0.0310 0.0218 91 LEU u C +46257 O O . LEU GA 91 ? 0.8851 0.6243 0.6273 0.0771 -0.0301 0.0212 91 LEU u O +46258 C CB . LEU GA 91 ? 0.8667 0.5960 0.6020 0.0690 -0.0288 0.0236 91 LEU u CB +46259 C CG . LEU GA 91 ? 0.9606 0.6877 0.6959 0.0623 -0.0269 0.0242 91 LEU u CG +46260 C CD1 . LEU GA 91 ? 0.8824 0.5960 0.6070 0.0614 -0.0260 0.0253 91 LEU u CD1 +46261 C CD2 . LEU GA 91 ? 0.9280 0.6577 0.6677 0.0581 -0.0251 0.0234 91 LEU u CD2 +46262 N N . VAL GA 92 ? 0.7673 0.5169 0.5152 0.0807 -0.0332 0.0216 92 VAL u N +46263 C CA . VAL GA 92 ? 0.8902 0.6400 0.6367 0.0871 -0.0346 0.0209 92 VAL u CA +46264 C C . VAL GA 92 ? 0.9465 0.7098 0.7033 0.0890 -0.0355 0.0198 92 VAL u C +46265 O O . VAL GA 92 ? 0.9074 0.6722 0.6644 0.0939 -0.0362 0.0190 92 VAL u O +46266 C CB . VAL GA 92 ? 0.8784 0.6217 0.6175 0.0920 -0.0366 0.0217 92 VAL u CB +46267 C CG1 . VAL GA 92 ? 0.9255 0.6543 0.6535 0.0902 -0.0354 0.0228 92 VAL u CG1 +46268 C CG2 . VAL GA 92 ? 0.8235 0.5744 0.5674 0.0923 -0.0385 0.0220 92 VAL u CG2 +46269 N N . GLU GA 93 ? 0.8579 0.6309 0.6230 0.0855 -0.0354 0.0197 93 GLU u N +46270 C CA . GLU GA 93 ? 0.8553 0.6408 0.6302 0.0867 -0.0359 0.0186 93 GLU u CA +46271 C C . GLU GA 93 ? 0.8937 0.6806 0.6711 0.0849 -0.0339 0.0178 93 GLU u C +46272 O O . GLU GA 93 ? 0.8350 0.6141 0.6076 0.0818 -0.0322 0.0181 93 GLU u O +46273 C CB . GLU GA 93 ? 0.7769 0.5717 0.5595 0.0832 -0.0364 0.0188 93 GLU u CB +46274 C CG . GLU GA 93 ? 0.8470 0.6435 0.6291 0.0862 -0.0388 0.0191 93 GLU u CG +46275 C CD . GLU GA 93 ? 0.9373 0.7411 0.7236 0.0919 -0.0407 0.0181 93 GLU u CD +46276 O OE1 . GLU GA 93 ? 0.9115 0.7214 0.7031 0.0928 -0.0400 0.0171 93 GLU u OE1 +46277 O OE2 . GLU GA 93 ? 1.1178 0.9213 0.9020 0.0956 -0.0430 0.0183 93 GLU u OE2 +46278 N N . GLY GA 94 ? 0.8758 0.6728 0.6609 0.0867 -0.0341 0.0168 94 GLY u N +46279 C CA . GLY GA 94 ? 0.8687 0.6678 0.6565 0.0854 -0.0323 0.0160 94 GLY u CA +46280 C C . GLY GA 94 ? 0.9269 0.7168 0.7072 0.0883 -0.0317 0.0157 94 GLY u C +46281 O O . GLY GA 94 ? 0.7983 0.5874 0.5790 0.0865 -0.0300 0.0151 94 GLY u O +46282 N N . GLY GA 95 ? 0.8754 0.6581 0.6486 0.0929 -0.0330 0.0159 95 GLY u N +46283 C CA . GLY GA 95 ? 0.7387 0.5115 0.5040 0.0955 -0.0323 0.0157 95 GLY u CA +46284 C C . GLY GA 95 ? 0.8338 0.5968 0.5930 0.0908 -0.0305 0.0162 95 GLY u C +46285 O O . GLY GA 95 ? 0.8795 0.6358 0.6338 0.0915 -0.0294 0.0158 95 GLY u O +46286 N N . ASP GA 96 ? 0.8332 0.5952 0.5927 0.0858 -0.0301 0.0171 96 ASP u N +46287 C CA . ASP GA 96 ? 0.8284 0.5826 0.5836 0.0806 -0.0283 0.0175 96 ASP u CA +46288 C C . ASP GA 96 ? 0.8558 0.5959 0.5997 0.0821 -0.0281 0.0180 96 ASP u C +46289 O O . ASP GA 96 ? 0.8975 0.6305 0.6373 0.0783 -0.0265 0.0181 96 ASP u O +46290 C CB . ASP GA 96 ? 0.8877 0.6448 0.6462 0.0751 -0.0279 0.0183 96 ASP u CB +46291 C CG . ASP GA 96 ? 0.9534 0.7227 0.7224 0.0719 -0.0274 0.0178 96 ASP u CG +46292 O OD1 . ASP GA 96 ? 0.7585 0.5342 0.5322 0.0740 -0.0273 0.0168 96 ASP u OD1 +46293 O OD2 . ASP GA 96 ? 0.8361 0.6082 0.6083 0.0675 -0.0271 0.0183 96 ASP u OD2 +46294 N N . ARG GA 97 ? 0.8676 0.6031 0.6061 0.0874 -0.0296 0.0184 97 ARG u N +46295 C CA . ARG GA 97 ? 0.9969 0.7183 0.7241 0.0890 -0.0293 0.0189 97 ARG u CA +46296 C C . ARG GA 97 ? 0.8826 0.6000 0.6068 0.0914 -0.0285 0.0179 97 ARG u C +46297 O O . ARG GA 97 ? 0.9438 0.6492 0.6592 0.0911 -0.0276 0.0181 97 ARG u O +46298 C CB . ARG GA 97 ? 0.9269 0.6439 0.6486 0.0942 -0.0313 0.0196 97 ARG u CB +46299 C CG . ARG GA 97 ? 0.9152 0.6334 0.6374 0.0922 -0.0321 0.0208 97 ARG u CG +46300 C CD . ARG GA 97 ? 0.9270 0.6360 0.6400 0.0967 -0.0337 0.0217 97 ARG u CD +46301 N NE . ARG GA 97 ? 0.8877 0.5820 0.5898 0.0957 -0.0323 0.0223 97 ARG u NE +46302 C CZ . ARG GA 97 ? 1.1069 0.7906 0.7992 0.0995 -0.0332 0.0231 97 ARG u CZ +46303 N NH1 . ARG GA 97 ? 0.8844 0.5705 0.5762 0.1051 -0.0357 0.0233 97 ARG u NH1 +46304 N NH2 . ARG GA 97 ? 0.9127 0.5830 0.5954 0.0976 -0.0317 0.0238 97 ARG u NH2 +46305 N N . TYR GA 98 ? 0.8122 0.5390 0.5433 0.0939 -0.0288 0.0167 98 TYR u N +46306 C CA . TYR GA 98 ? 0.8804 0.6047 0.6096 0.0960 -0.0278 0.0156 98 TYR u CA +46307 C C . TYR GA 98 ? 0.9038 0.6302 0.6365 0.0905 -0.0259 0.0150 98 TYR u C +46308 O O . TYR GA 98 ? 0.9600 0.6796 0.6880 0.0905 -0.0248 0.0144 98 TYR u O +46309 C CB . TYR GA 98 ? 0.8773 0.6106 0.6120 0.1018 -0.0289 0.0146 98 TYR u CB +46310 C CG . TYR GA 98 ? 0.9413 0.6724 0.6723 0.1077 -0.0311 0.0150 98 TYR u CG +46311 C CD1 . TYR GA 98 ? 0.9326 0.6528 0.6541 0.1124 -0.0315 0.0150 98 TYR u CD1 +46312 C CD2 . TYR GA 98 ? 0.9191 0.6585 0.6557 0.1085 -0.0327 0.0155 98 TYR u CD2 +46313 C CE1 . TYR GA 98 ? 0.9734 0.6912 0.6911 0.1179 -0.0336 0.0154 98 TYR u CE1 +46314 C CE2 . TYR GA 98 ? 0.8912 0.6283 0.6240 0.1140 -0.0349 0.0158 98 TYR u CE2 +46315 C CZ . TYR GA 98 ? 1.0686 0.7949 0.7920 0.1187 -0.0353 0.0158 98 TYR u CZ +46316 O OH . TYR GA 98 ? 1.0027 0.7265 0.7221 0.1244 -0.0376 0.0162 98 TYR u OH +46317 N N . ASN GA 99 ? 1.0085 0.7440 0.7494 0.0860 -0.0256 0.0152 99 ASN u N +46318 C CA . ASN GA 99 ? 0.8907 0.6294 0.6357 0.0810 -0.0239 0.0146 99 ASN u CA +46319 C C . ASN GA 99 ? 0.8426 0.5878 0.5937 0.0759 -0.0239 0.0153 99 ASN u C +46320 O O . ASN GA 99 ? 0.7972 0.5530 0.5560 0.0765 -0.0247 0.0153 99 ASN u O +46321 C CB . ASN GA 99 ? 0.9692 0.7164 0.7202 0.0833 -0.0236 0.0134 99 ASN u CB +46322 C CG . ASN GA 99 ? 1.0012 0.7507 0.7554 0.0785 -0.0220 0.0127 99 ASN u CG +46323 O OD1 . ASN GA 99 ? 0.9054 0.6563 0.6622 0.0730 -0.0214 0.0131 99 ASN u OD1 +46324 N ND2 . ASN GA 99 ? 0.8386 0.5887 0.5928 0.0807 -0.0213 0.0116 99 ASN u ND2 +46325 N N . ASN GA 100 ? 0.7675 0.5060 0.5149 0.0710 -0.0230 0.0159 100 ASN u N +46326 C CA . ASN GA 100 ? 0.8577 0.6015 0.6101 0.0662 -0.0228 0.0166 100 ASN u CA +46327 C C . ASN GA 100 ? 0.8899 0.6390 0.6481 0.0611 -0.0216 0.0160 100 ASN u C +46328 O O . ASN GA 100 ? 0.8043 0.5549 0.5649 0.0562 -0.0210 0.0165 100 ASN u O +46329 C CB . ASN GA 100 ? 0.8093 0.5434 0.5547 0.0638 -0.0226 0.0177 100 ASN u CB +46330 C CG . ASN GA 100 ? 0.8976 0.6203 0.6354 0.0613 -0.0212 0.0175 100 ASN u CG +46331 O OD1 . ASN GA 100 ? 0.8501 0.5720 0.5877 0.0613 -0.0205 0.0165 100 ASN u OD1 +46332 N ND2 . ASN GA 100 ? 0.8794 0.5934 0.6109 0.0591 -0.0207 0.0184 100 ASN u ND2 +46333 N N A GLY GA 101 ? 0.8845 0.6368 0.6450 0.0623 -0.0211 0.0149 101 GLY u N +46334 N N B GLY GA 101 ? 0.8864 0.6382 0.6466 0.0623 -0.0210 0.0149 101 GLY u N +46335 C CA A GLY GA 101 ? 0.8376 0.5948 0.6032 0.0581 -0.0200 0.0143 101 GLY u CA +46336 C CA B GLY GA 101 ? 0.8365 0.5931 0.6017 0.0580 -0.0199 0.0143 101 GLY u CA +46337 C C A GLY GA 101 ? 0.9152 0.6641 0.6759 0.0536 -0.0188 0.0141 101 GLY u C +46338 C C B GLY GA 101 ? 0.9175 0.6659 0.6778 0.0535 -0.0188 0.0141 101 GLY u C +46339 O O A GLY GA 101 ? 0.9012 0.6542 0.6662 0.0497 -0.0180 0.0136 101 GLY u O +46340 O O B GLY GA 101 ? 0.9056 0.6579 0.6702 0.0495 -0.0180 0.0136 101 GLY u O +46341 N N A LEU GA 102 ? 0.8737 0.6113 0.6258 0.0541 -0.0186 0.0144 102 LEU u N +46342 N N B LEU GA 102 ? 0.8731 0.6101 0.6247 0.0542 -0.0186 0.0144 102 LEU u N +46343 C CA A LEU GA 102 ? 0.9076 0.6364 0.6544 0.0500 -0.0175 0.0141 102 LEU u CA +46344 C CA B LEU GA 102 ? 0.9078 0.6361 0.6543 0.0500 -0.0174 0.0141 102 LEU u CA +46345 C C A LEU GA 102 ? 0.9602 0.6816 0.7008 0.0528 -0.0171 0.0132 102 LEU u C +46346 C C B LEU GA 102 ? 0.9615 0.6827 0.7020 0.0527 -0.0171 0.0131 102 LEU u C +46347 O O A LEU GA 102 ? 0.9774 0.6937 0.7128 0.0577 -0.0177 0.0133 102 LEU u O +46348 O O B LEU GA 102 ? 0.9786 0.6951 0.7140 0.0578 -0.0177 0.0132 102 LEU u O +46349 C CB A LEU GA 102 ? 0.9182 0.6387 0.6593 0.0478 -0.0172 0.0152 102 LEU u CB +46350 C CB B LEU GA 102 ? 0.9166 0.6365 0.6572 0.0479 -0.0172 0.0152 102 LEU u CB +46351 C CG A LEU GA 102 ? 0.9963 0.7215 0.7422 0.0428 -0.0169 0.0159 102 LEU u CG +46352 C CG B LEU GA 102 ? 1.0011 0.7255 0.7465 0.0428 -0.0169 0.0158 102 LEU u CG +46353 C CD1 A LEU GA 102 ? 0.9030 0.6381 0.6555 0.0449 -0.0181 0.0165 102 LEU u CD1 +46354 C CD1 B LEU GA 102 ? 0.8992 0.6344 0.6519 0.0445 -0.0179 0.0164 102 LEU u CD1 +46355 C CD2 A LEU GA 102 ? 1.0087 0.7239 0.7478 0.0401 -0.0162 0.0167 102 LEU u CD2 +46356 C CD2 B LEU GA 102 ? 1.0079 0.7222 0.7462 0.0405 -0.0162 0.0167 102 LEU u CD2 +46357 N N A TYR GA 103 ? 0.8787 0.5995 0.6198 0.0498 -0.0163 0.0122 103 TYR u N +46358 N N B TYR GA 103 ? 0.8768 0.5972 0.6177 0.0496 -0.0162 0.0121 103 TYR u N +46359 C CA A TYR GA 103 ? 0.9419 0.6545 0.6765 0.0513 -0.0158 0.0112 103 TYR u CA +46360 C CA B TYR GA 103 ? 0.9420 0.6545 0.6765 0.0512 -0.0158 0.0111 103 TYR u CA +46361 C C A TYR GA 103 ? 0.9930 0.6978 0.7235 0.0458 -0.0149 0.0109 103 TYR u C +46362 C C B TYR GA 103 ? 0.9926 0.6971 0.7228 0.0458 -0.0148 0.0108 103 TYR u C +46363 O O A TYR GA 103 ? 1.1427 0.8444 0.8718 0.0428 -0.0146 0.0118 103 TYR u O +46364 O O B TYR GA 103 ? 1.1510 0.8516 0.8793 0.0429 -0.0146 0.0117 103 TYR u O +46365 C CB A TYR GA 103 ? 0.8510 0.5705 0.5901 0.0530 -0.0157 0.0100 103 TYR u CB +46366 C CB B TYR GA 103 ? 0.8483 0.5680 0.5876 0.0530 -0.0157 0.0100 103 TYR u CB +46367 C CG A TYR GA 103 ? 0.9376 0.6661 0.6819 0.0579 -0.0164 0.0102 103 TYR u CG +46368 C CG B TYR GA 103 ? 0.9396 0.6683 0.6842 0.0578 -0.0164 0.0102 103 TYR u CG +46369 C CD1 A TYR GA 103 ? 0.8056 0.5307 0.5458 0.0639 -0.0170 0.0101 103 TYR u CD1 +46370 C CD1 B TYR GA 103 ? 0.8043 0.5297 0.5447 0.0638 -0.0170 0.0101 103 TYR u CD1 +46371 C CD2 A TYR GA 103 ? 0.8670 0.6074 0.6207 0.0564 -0.0167 0.0105 103 TYR u CD2 +46372 C CD2 B TYR GA 103 ? 0.8671 0.6077 0.6209 0.0564 -0.0167 0.0105 103 TYR u CD2 +46373 C CE1 A TYR GA 103 ? 0.8671 0.6009 0.6125 0.0683 -0.0177 0.0102 103 TYR u CE1 +46374 C CE1 B TYR GA 103 ? 0.8675 0.6016 0.6131 0.0682 -0.0177 0.0102 103 TYR u CE1 +46375 C CE2 A TYR GA 103 ? 0.8090 0.5579 0.5677 0.0607 -0.0174 0.0106 103 TYR u CE2 +46376 C CE2 B TYR GA 103 ? 0.8075 0.5564 0.5663 0.0606 -0.0174 0.0107 103 TYR u CE2 +46377 C CZ A TYR GA 103 ? 0.8674 0.6131 0.6221 0.0666 -0.0179 0.0104 103 TYR u CZ +46378 C CZ B TYR GA 103 ? 0.8682 0.6141 0.6231 0.0665 -0.0179 0.0105 103 TYR u CZ +46379 O OH A TYR GA 103 ? 0.8192 0.5734 0.5791 0.0707 -0.0186 0.0104 103 TYR u OH +46380 O OH B TYR GA 103 ? 0.8202 0.5748 0.5804 0.0706 -0.0186 0.0104 103 TYR u OH +46381 N N A LYS GA 104 ? 0.9545 0.6564 0.6833 0.0443 -0.0143 0.0097 104 LYS u N +46382 N N B LYS GA 104 ? 0.9523 0.6544 0.6812 0.0443 -0.0143 0.0096 104 LYS u N +46383 C CA A LYS GA 104 ? 1.0511 0.7466 0.7769 0.0386 -0.0135 0.0093 104 LYS u CA +46384 C CA B LYS GA 104 ? 1.0509 0.7466 0.7768 0.0387 -0.0135 0.0092 104 LYS u CA +46385 C C A LYS GA 104 ? 1.1342 0.8388 0.8683 0.0335 -0.0133 0.0094 104 LYS u C +46386 C C B LYS GA 104 ? 1.1442 0.8491 0.8784 0.0336 -0.0133 0.0092 104 LYS u C +46387 O O A LYS GA 104 ? 1.0103 0.7246 0.7513 0.0341 -0.0137 0.0090 104 LYS u O +46388 O O B LYS GA 104 ? 1.0445 0.7586 0.7853 0.0340 -0.0136 0.0087 104 LYS u O +46389 C CB A LYS GA 104 ? 1.0592 0.7480 0.7800 0.0385 -0.0130 0.0078 104 LYS u CB +46390 C CB B LYS GA 104 ? 1.0627 0.7516 0.7834 0.0388 -0.0131 0.0077 104 LYS u CB +46391 C CG A LYS GA 104 ? 1.0545 0.7312 0.7653 0.0422 -0.0129 0.0078 104 LYS u CG +46392 C CG B LYS GA 104 ? 1.0558 0.7322 0.7664 0.0422 -0.0129 0.0077 104 LYS u CG +46393 C CD A LYS GA 104 ? 1.0485 0.7150 0.7529 0.0389 -0.0124 0.0085 104 LYS u CD +46394 C CD B LYS GA 104 ? 1.0506 0.7172 0.7553 0.0383 -0.0123 0.0083 104 LYS u CD +46395 C CE A LYS GA 104 ? 0.9968 0.6499 0.6905 0.0421 -0.0122 0.0083 104 LYS u CE +46396 C CE B LYS GA 104 ? 0.9982 0.6513 0.6921 0.0413 -0.0121 0.0082 104 LYS u CE +46397 N NZ A LYS GA 104 ? 0.9690 0.6116 0.6563 0.0379 -0.0113 0.0088 104 LYS u NZ +46398 N NZ B LYS GA 104 ? 0.9678 0.6106 0.6555 0.0372 -0.0112 0.0087 104 LYS u NZ +46399 O OXT A LYS GA 104 ? 1.0307 0.7334 0.7649 0.0289 -0.0129 0.0098 104 LYS u OXT +46400 O OXT B LYS GA 104 ? 1.0352 0.7384 0.7696 0.0291 -0.0129 0.0097 104 LYS u OXT +46401 N N . ALA HA 1 ? 1.1317 0.7009 0.8002 -0.0681 -0.0104 -0.0276 1 ALA v N +46402 C CA . ALA HA 1 ? 1.1990 0.7584 0.8586 -0.0628 -0.0092 -0.0259 1 ALA v CA +46403 C C . ALA HA 1 ? 1.1754 0.7292 0.8284 -0.0582 -0.0106 -0.0272 1 ALA v C +46404 O O . ALA HA 1 ? 1.1474 0.7090 0.8046 -0.0564 -0.0124 -0.0282 1 ALA v O +46405 C CB . ALA HA 1 ? 1.0548 0.6212 0.7181 -0.0582 -0.0085 -0.0231 1 ALA v CB +46406 N N . GLU HA 2 ? 1.1845 0.7247 0.8271 -0.0563 -0.0095 -0.0270 2 GLU v N +46407 C CA . GLU HA 2 ? 1.1779 0.7105 0.8127 -0.0520 -0.0105 -0.0282 2 GLU v CA +46408 C C . GLU HA 2 ? 1.1297 0.6552 0.7574 -0.0455 -0.0093 -0.0260 2 GLU v C +46409 O O . GLU HA 2 ? 1.2019 0.7242 0.8280 -0.0455 -0.0076 -0.0240 2 GLU v O +46410 C CB . GLU HA 2 ? 1.2518 0.7724 0.8794 -0.0565 -0.0106 -0.0307 2 GLU v CB +46411 C CG . GLU HA 2 ? 1.4501 0.9761 1.0836 -0.0630 -0.0119 -0.0332 2 GLU v CG +46412 C CD . GLU HA 2 ? 1.8637 1.3891 1.4949 -0.0613 -0.0141 -0.0357 2 GLU v CD +46413 O OE1 . GLU HA 2 ? 1.7360 1.2617 1.3644 -0.0547 -0.0147 -0.0350 2 GLU v OE1 +46414 O OE2 . GLU HA 2 ? 1.7066 1.2312 1.3386 -0.0665 -0.0153 -0.0383 2 GLU v OE2 +46415 N N . LEU HA 3 ? 1.1817 0.7046 0.8047 -0.0399 -0.0103 -0.0266 3 LEU v N +46416 C CA . LEU HA 3 ? 1.1750 0.6898 0.7901 -0.0334 -0.0094 -0.0250 3 LEU v CA +46417 C C . LEU HA 3 ? 1.3443 0.8424 0.9481 -0.0351 -0.0085 -0.0261 3 LEU v C +46418 O O . LEU HA 3 ? 1.2790 0.7703 0.8767 -0.0336 -0.0094 -0.0279 3 LEU v O +46419 C CB . LEU HA 3 ? 1.2141 0.7338 0.8296 -0.0269 -0.0107 -0.0253 3 LEU v CB +46420 C CG . LEU HA 3 ? 1.2541 0.7690 0.8636 -0.0193 -0.0100 -0.0236 3 LEU v CG +46421 C CD1 . LEU HA 3 ? 1.1799 0.7010 0.7943 -0.0181 -0.0090 -0.0209 3 LEU v CD1 +46422 C CD2 . LEU HA 3 ? 1.2638 0.7844 0.8745 -0.0136 -0.0112 -0.0242 3 LEU v CD2 +46423 N N . THR HA 4 ? 1.3539 0.8449 0.9545 -0.0381 -0.0068 -0.0249 4 THR v N +46424 C CA . THR HA 4 ? 1.2087 0.6840 0.7994 -0.0412 -0.0057 -0.0259 4 THR v CA +46425 C C . THR HA 4 ? 1.3964 0.8598 0.9764 -0.0350 -0.0048 -0.0246 4 THR v C +46426 O O . THR HA 4 ? 1.3740 0.8416 0.9549 -0.0287 -0.0048 -0.0226 4 THR v O +46427 C CB . THR HA 4 ? 1.1715 0.6454 0.7643 -0.0481 -0.0041 -0.0253 4 THR v CB +46428 O OG1 . THR HA 4 ? 1.3616 0.8379 0.9557 -0.0453 -0.0028 -0.0223 4 THR v OG1 +46429 C CG2 . THR HA 4 ? 1.1774 0.6629 0.7807 -0.0543 -0.0050 -0.0268 4 THR v CG2 +46430 N N . PRO HA 5 ? 1.4551 0.9029 1.0246 -0.0366 -0.0041 -0.0256 5 PRO v N +46431 C CA . PRO HA 5 ? 1.5093 0.9448 1.0681 -0.0306 -0.0032 -0.0243 5 PRO v CA +46432 C C . PRO HA 5 ? 1.2443 0.6787 0.8023 -0.0289 -0.0016 -0.0214 5 PRO v C +46433 O O . PRO HA 5 ? 1.2905 0.7218 0.8439 -0.0219 -0.0015 -0.0198 5 PRO v O +46434 C CB . PRO HA 5 ? 1.4799 0.8994 1.0285 -0.0344 -0.0026 -0.0263 5 PRO v CB +46435 C CG . PRO HA 5 ? 1.5534 0.9783 1.1072 -0.0398 -0.0040 -0.0291 5 PRO v CG +46436 C CD . PRO HA 5 ? 1.5264 0.9675 1.0931 -0.0430 -0.0043 -0.0284 5 PRO v CD +46437 N N . GLU HA 6 ? 1.4025 0.8393 0.9647 -0.0350 -0.0004 -0.0206 6 GLU v N +46438 C CA . GLU HA 6 ? 1.3563 0.7945 0.9194 -0.0332 0.0010 -0.0177 6 GLU v CA +46439 C C . GLU HA 6 ? 1.4529 0.9044 1.0233 -0.0270 -0.0001 -0.0162 6 GLU v C +46440 O O . GLU HA 6 ? 1.5023 0.9511 1.0687 -0.0209 0.0001 -0.0143 6 GLU v O +46441 C CB . GLU HA 6 ? 1.5044 0.9460 1.0730 -0.0409 0.0024 -0.0173 6 GLU v CB +46442 C CG . GLU HA 6 ? 1.6896 1.1209 1.2535 -0.0484 0.0034 -0.0192 6 GLU v CG +46443 C CD . GLU HA 6 ? 1.9393 1.3784 1.5102 -0.0530 0.0018 -0.0221 6 GLU v CD +46444 O OE1 . GLU HA 6 ? 2.2304 1.6823 1.8120 -0.0569 0.0016 -0.0221 6 GLU v OE1 +46445 O OE2 . GLU HA 6 ? 1.8207 1.2532 1.3864 -0.0525 0.0008 -0.0242 6 GLU v OE2 +46446 N N . VAL HA 7 ? 1.3398 0.8058 0.9209 -0.0286 -0.0015 -0.0171 7 VAL v N +46447 C CA . VAL HA 7 ? 1.2415 0.7205 0.8299 -0.0230 -0.0025 -0.0158 7 VAL v CA +46448 C C . VAL HA 7 ? 1.3445 0.8186 0.9263 -0.0149 -0.0032 -0.0156 7 VAL v C +46449 O O . VAL HA 7 ? 1.2367 0.7148 0.8195 -0.0091 -0.0033 -0.0137 7 VAL v O +46450 C CB . VAL HA 7 ? 1.3266 0.8200 0.9259 -0.0256 -0.0040 -0.0172 7 VAL v CB +46451 C CG1 . VAL HA 7 ? 1.1374 0.6428 0.7429 -0.0194 -0.0051 -0.0161 7 VAL v CG1 +46452 C CG2 . VAL HA 7 ? 1.3139 0.8139 0.9208 -0.0329 -0.0034 -0.0171 7 VAL v CG2 +46453 N N . LEU HA 8 ? 1.1864 0.6516 0.7613 -0.0144 -0.0037 -0.0176 8 LEU v N +46454 C CA . LEU HA 8 ? 1.3710 0.8322 0.9401 -0.0068 -0.0044 -0.0178 8 LEU v CA +46455 C C . LEU HA 8 ? 1.2615 0.7084 0.8193 -0.0027 -0.0033 -0.0165 8 LEU v C +46456 O O . LEU HA 8 ? 1.2428 0.6855 0.7952 0.0039 -0.0038 -0.0166 8 LEU v O +46457 C CB . LEU HA 8 ? 1.1506 0.6088 0.7171 -0.0078 -0.0055 -0.0206 8 LEU v CB +46458 C CG . LEU HA 8 ? 1.3178 0.7914 0.8952 -0.0091 -0.0069 -0.0217 8 LEU v CG +46459 C CD1 . LEU HA 8 ? 1.1486 0.6193 0.7237 -0.0109 -0.0081 -0.0246 8 LEU v CD1 +46460 C CD2 . LEU HA 8 ? 1.1684 0.6525 0.7508 -0.0021 -0.0075 -0.0202 8 LEU v CD2 +46461 N N . THR HA 9 ? 1.2065 0.6461 0.7607 -0.0062 -0.0018 -0.0152 9 THR v N +46462 C CA . THR HA 9 ? 1.4144 0.8401 0.9576 -0.0025 -0.0008 -0.0138 9 THR v CA +46463 C C . THR HA 9 ? 1.3802 0.8121 0.9263 0.0028 -0.0007 -0.0111 9 THR v C +46464 O O . THR HA 9 ? 1.2903 0.7295 0.8428 -0.0003 -0.0001 -0.0097 9 THR v O +46465 C CB . THR HA 9 ? 1.4283 0.8421 0.9655 -0.0091 0.0009 -0.0138 9 THR v CB +46466 O OG1 . THR HA 9 ? 1.3427 0.7527 0.8789 -0.0148 0.0007 -0.0165 9 THR v OG1 +46467 C CG2 . THR HA 9 ? 1.2881 0.6856 0.8125 -0.0053 0.0020 -0.0126 9 THR v CG2 +46468 N N . VAL HA 10 ? 1.3226 0.7515 0.8638 0.0108 -0.0013 -0.0104 10 VAL v N +46469 C CA . VAL HA 10 ? 1.3285 0.7645 0.8731 0.0165 -0.0016 -0.0081 10 VAL v CA +46470 C C . VAL HA 10 ? 1.3874 0.8101 0.9205 0.0225 -0.0012 -0.0070 10 VAL v C +46471 O O . VAL HA 10 ? 1.4145 0.8247 0.9381 0.0240 -0.0010 -0.0082 10 VAL v O +46472 C CB . VAL HA 10 ? 1.2742 0.7252 0.8278 0.0210 -0.0031 -0.0085 10 VAL v CB +46473 C CG1 . VAL HA 10 ? 1.3389 0.8030 0.9037 0.0152 -0.0035 -0.0095 10 VAL v CG1 +46474 C CG2 . VAL HA 10 ? 1.0594 0.5054 0.6074 0.0265 -0.0038 -0.0101 10 VAL v CG2 +46475 N N . PRO HA 11 ? 1.3663 0.7915 0.9000 0.0263 -0.0011 -0.0046 11 PRO v N +46476 C CA . PRO HA 11 ? 1.3146 0.7274 0.8375 0.0325 -0.0009 -0.0034 11 PRO v CA +46477 C C . PRO HA 11 ? 1.4458 0.8572 0.9651 0.0401 -0.0020 -0.0045 11 PRO v C +46478 O O . PRO HA 11 ? 1.2630 0.6873 0.7904 0.0437 -0.0032 -0.0048 11 PRO v O +46479 C CB . PRO HA 11 ? 1.3041 0.7240 0.8312 0.0350 -0.0010 -0.0009 11 PRO v CB +46480 C CG . PRO HA 11 ? 1.2646 0.6947 0.8014 0.0276 -0.0004 -0.0007 11 PRO v CG +46481 C CD . PRO HA 11 ? 1.2258 0.6635 0.7692 0.0242 -0.0010 -0.0030 11 PRO v CD +46482 N N . LEU HA 12 ? 1.4308 0.8261 0.9378 0.0426 -0.0016 -0.0049 12 LEU v N +46483 C CA . LEU HA 12 ? 1.2901 0.6816 0.7919 0.0503 -0.0025 -0.0058 12 LEU v CA +46484 C C . LEU HA 12 ? 1.3380 0.7295 0.8373 0.0584 -0.0031 -0.0039 12 LEU v C +46485 O O . LEU HA 12 ? 1.3746 0.7729 0.8767 0.0651 -0.0042 -0.0043 12 LEU v O +46486 C CB . LEU HA 12 ? 1.6671 1.0408 1.1564 0.0494 -0.0018 -0.0073 12 LEU v CB +46487 C CG . LEU HA 12 ? 1.5413 0.9106 1.0250 0.0568 -0.0026 -0.0086 12 LEU v CG +46488 C CD1 . LEU HA 12 ? 1.4249 0.8075 0.9177 0.0571 -0.0036 -0.0104 12 LEU v CD1 +46489 C CD2 . LEU HA 12 ? 1.4563 0.8070 0.9270 0.0557 -0.0019 -0.0099 12 LEU v CD2 +46490 N N . ASN HA 13 ? 1.2775 0.6615 0.7716 0.0581 -0.0024 -0.0019 13 ASN v N +46491 C CA . ASN HA 13 ? 1.4039 0.7866 0.8945 0.0659 -0.0031 -0.0001 13 ASN v CA +46492 C C . ASN HA 13 ? 1.3512 0.7346 0.8429 0.0633 -0.0026 0.0023 13 ASN v C +46493 O O . ASN HA 13 ? 1.3898 0.7743 0.8847 0.0555 -0.0015 0.0025 13 ASN v O +46494 C CB . ASN HA 13 ? 1.4148 0.7802 0.8914 0.0712 -0.0030 -0.0003 13 ASN v CB +46495 C CG . ASN HA 13 ? 1.5608 0.9088 1.0266 0.0655 -0.0014 -0.0005 13 ASN v CG +46496 O OD1 . ASN HA 13 ? 1.4874 0.8341 0.9542 0.0589 -0.0003 0.0005 13 ASN v OD1 +46497 N ND2 . ASN HA 13 ? 1.6505 0.9848 1.1057 0.0681 -0.0013 -0.0018 13 ASN v ND2 +46498 N N . SER HA 14 ? 1.6074 0.9902 1.0965 0.0700 -0.0034 0.0040 14 SER v N +46499 C CA . SER HA 14 ? 1.5273 0.9092 1.0159 0.0684 -0.0029 0.0064 14 SER v CA +46500 C C . SER HA 14 ? 1.7159 1.0799 1.1926 0.0642 -0.0012 0.0070 14 SER v C +46501 O O . SER HA 14 ? 1.7905 1.1540 1.2681 0.0589 0.0000 0.0083 14 SER v O +46502 C CB . SER HA 14 ? 1.7205 1.1055 1.2084 0.0770 -0.0044 0.0079 14 SER v CB +46503 O OG . SER HA 14 ? 1.9179 1.3212 1.4184 0.0794 -0.0057 0.0077 14 SER v OG +46504 N N . GLU HA 15 ? 1.9477 1.2969 1.4132 0.0662 -0.0008 0.0060 15 GLU v N +46505 C CA . GLU HA 15 ? 1.9083 1.2394 1.3619 0.0622 0.0009 0.0065 15 GLU v CA +46506 C C . GLU HA 15 ? 1.8236 1.1555 1.2811 0.0518 0.0026 0.0058 15 GLU v C +46507 O O . GLU HA 15 ? 1.9224 1.2428 1.3728 0.0472 0.0043 0.0067 15 GLU v O +46508 C CB . GLU HA 15 ? 1.9221 1.2381 1.3639 0.0660 0.0009 0.0052 15 GLU v CB +46509 C CG . GLU HA 15 ? 2.1969 1.5001 1.6269 0.0733 0.0005 0.0068 15 GLU v CG +46510 C CD . GLU HA 15 ? 2.5047 1.8189 1.9402 0.0798 -0.0011 0.0086 15 GLU v CD +46511 O OE1 . GLU HA 15 ? 2.5248 1.8534 1.9698 0.0838 -0.0026 0.0078 15 GLU v OE1 +46512 O OE2 . GLU HA 15 ? 2.6366 1.9451 2.0671 0.0809 -0.0008 0.0108 15 GLU v OE2 +46513 N N . GLY HA 16 ? 1.8658 1.2107 1.3342 0.0481 0.0022 0.0041 16 GLY v N +46514 C CA . GLY HA 16 ? 1.8020 1.1498 1.2756 0.0384 0.0036 0.0034 16 GLY v CA +46515 C C . GLY HA 16 ? 1.6968 1.0398 1.1688 0.0339 0.0039 0.0008 16 GLY v C +46516 O O . GLY HA 16 ? 1.8900 1.2361 1.3668 0.0258 0.0049 -0.0001 16 GLY v O +46517 N N . LYS HA 17 ? 1.4236 0.7591 0.8887 0.0387 0.0032 -0.0006 17 LYS v N +46518 C CA . LYS HA 17 ? 1.5796 0.9119 1.0440 0.0345 0.0033 -0.0033 17 LYS v CA +46519 C C . LYS HA 17 ? 1.7230 1.0733 1.2012 0.0322 0.0023 -0.0046 17 LYS v C +46520 O O . LYS HA 17 ? 1.6413 1.0054 1.1279 0.0365 0.0011 -0.0039 17 LYS v O +46521 C CB . LYS HA 17 ? 1.7158 1.0369 1.1702 0.0408 0.0027 -0.0045 17 LYS v CB +46522 C CG . LYS HA 17 ? 1.9554 1.2668 1.4046 0.0356 0.0033 -0.0070 17 LYS v CG +46523 C CD . LYS HA 17 ? 2.2136 1.5145 1.6533 0.0419 0.0026 -0.0084 17 LYS v CD +46524 C CE . LYS HA 17 ? 2.1220 1.4119 1.5556 0.0363 0.0033 -0.0109 17 LYS v CE +46525 N NZ . LYS HA 17 ? 2.2049 1.5072 1.6494 0.0298 0.0028 -0.0128 17 LYS v NZ +46526 N N . THR HA 18 ? 1.4343 0.7845 0.9147 0.0252 0.0027 -0.0067 18 THR v N +46527 C CA . THR HA 18 ? 1.4888 0.8550 0.9816 0.0221 0.0018 -0.0081 18 THR v CA +46528 C C . THR HA 18 ? 1.4561 0.8201 0.9471 0.0226 0.0009 -0.0108 18 THR v C +46529 O O . THR HA 18 ? 1.6958 1.0454 1.1769 0.0211 0.0015 -0.0121 18 THR v O +46530 C CB . THR HA 18 ? 1.6749 1.0454 1.1739 0.0127 0.0028 -0.0082 18 THR v CB +46531 O OG1 . THR HA 18 ? 1.5399 0.9000 1.0334 0.0069 0.0035 -0.0102 18 THR v OG1 +46532 C CG2 . THR HA 18 ? 1.6157 0.9823 1.1124 0.0112 0.0042 -0.0056 18 THR v CG2 +46533 N N . ILE HA 19 ? 1.5361 0.9143 1.0363 0.0248 -0.0004 -0.0117 19 ILE v N +46534 C CA . ILE HA 19 ? 1.4061 0.7852 0.9068 0.0242 -0.0013 -0.0143 19 ILE v CA +46535 C C . ILE HA 19 ? 1.5734 0.9645 1.0849 0.0168 -0.0016 -0.0154 19 ILE v C +46536 O O . ILE HA 19 ? 1.6433 1.0459 1.1640 0.0145 -0.0015 -0.0141 19 ILE v O +46537 C CB . ILE HA 19 ? 1.4480 0.8337 0.9504 0.0327 -0.0026 -0.0146 19 ILE v CB +46538 C CG1 . ILE HA 19 ? 1.4342 0.8192 0.9356 0.0325 -0.0033 -0.0174 19 ILE v CG1 +46539 C CG2 . ILE HA 19 ? 1.4690 0.8729 0.9838 0.0346 -0.0033 -0.0133 19 ILE v CG2 +46540 C CD1 . ILE HA 19 ? 1.6677 1.0594 1.1709 0.0407 -0.0043 -0.0177 19 ILE v CD1 +46541 N N . THR HA 20 ? 1.4375 0.8253 0.9476 0.0130 -0.0020 -0.0180 20 THR v N +46542 C CA . THR HA 20 ? 1.3879 0.7869 0.9079 0.0064 -0.0025 -0.0194 20 THR v CA +46543 C C . THR HA 20 ? 1.4043 0.8106 0.9278 0.0096 -0.0040 -0.0212 20 THR v C +46544 O O . THR HA 20 ? 1.5208 0.9178 1.0367 0.0112 -0.0043 -0.0231 20 THR v O +46545 C CB . THR HA 20 ? 1.3240 0.7137 0.8403 -0.0019 -0.0017 -0.0209 20 THR v CB +46546 O OG1 . THR HA 20 ? 1.4006 0.7842 0.9141 -0.0050 -0.0001 -0.0190 20 THR v OG1 +46547 C CG2 . THR HA 20 ? 1.2864 0.6883 0.8132 -0.0082 -0.0026 -0.0225 20 THR v CG2 +46548 N N . LEU HA 21 ? 1.5405 0.9632 1.0752 0.0107 -0.0049 -0.0207 21 LEU v N +46549 C CA . LEU HA 21 ? 1.2870 0.7180 0.8257 0.0140 -0.0062 -0.0222 21 LEU v CA +46550 C C . LEU HA 21 ? 1.2098 0.6433 0.7519 0.0074 -0.0069 -0.0246 21 LEU v C +46551 O O . LEU HA 21 ? 1.3593 0.7932 0.9043 0.0002 -0.0066 -0.0249 21 LEU v O +46552 C CB . LEU HA 21 ? 1.4045 0.8517 0.9536 0.0177 -0.0067 -0.0205 21 LEU v CB +46553 C CG . LEU HA 21 ? 1.4465 0.8923 0.9935 0.0232 -0.0060 -0.0180 21 LEU v CG +46554 C CD1 . LEU HA 21 ? 1.4912 0.9531 1.0497 0.0240 -0.0063 -0.0162 21 LEU v CD1 +46555 C CD2 . LEU HA 21 ? 1.5021 0.9416 1.0417 0.0314 -0.0062 -0.0182 21 LEU v CD2 +46556 N N . THR HA 22 ? 1.2404 0.6756 0.7819 0.0100 -0.0079 -0.0265 22 THR v N +46557 C CA . THR HA 22 ? 1.4395 0.8786 0.9849 0.0044 -0.0090 -0.0289 22 THR v CA +46558 C C . THR HA 22 ? 1.5982 1.0554 1.1563 0.0037 -0.0099 -0.0284 22 THR v C +46559 O O . THR HA 22 ? 1.3198 0.7859 0.8828 0.0088 -0.0098 -0.0266 22 THR v O +46560 C CB . THR HA 22 ? 1.4214 0.8534 0.9596 0.0071 -0.0097 -0.0313 22 THR v CB +46561 O OG1 . THR HA 22 ? 1.4856 0.9251 1.0261 0.0145 -0.0101 -0.0308 22 THR v OG1 +46562 C CG2 . THR HA 22 ? 1.2772 0.6908 0.8022 0.0084 -0.0088 -0.0317 22 THR v CG2 +46563 N N . GLU HA 23 ? 1.4867 0.9489 1.0502 -0.0029 -0.0107 -0.0299 23 GLU v N +46564 C CA . GLU HA 23 ? 1.3095 0.7880 0.8846 -0.0039 -0.0117 -0.0298 23 GLU v CA +46565 C C . GLU HA 23 ? 1.3769 0.8620 0.9534 0.0028 -0.0124 -0.0299 23 GLU v C +46566 O O . GLU HA 23 ? 1.4182 0.9159 1.0030 0.0053 -0.0125 -0.0285 23 GLU v O +46567 C CB . GLU HA 23 ? 1.4914 0.9722 1.0700 -0.0113 -0.0128 -0.0321 23 GLU v CB +46568 C CG . GLU HA 23 ? 1.6173 1.1138 1.2068 -0.0124 -0.0141 -0.0324 23 GLU v CG +46569 C CD . GLU HA 23 ? 1.7778 1.2789 1.3736 -0.0205 -0.0147 -0.0334 23 GLU v CD +46570 O OE1 . GLU HA 23 ? 1.8700 1.3626 1.4621 -0.0252 -0.0138 -0.0336 23 GLU v OE1 +46571 O OE2 . GLU HA 23 ? 1.9861 1.4990 1.5902 -0.0220 -0.0159 -0.0340 23 GLU v OE2 +46572 N N . LYS HA 24 ? 1.3997 0.8763 0.9682 0.0059 -0.0127 -0.0317 24 LYS v N +46573 C CA . LYS HA 24 ? 1.4309 0.9132 1.0003 0.0125 -0.0131 -0.0319 24 LYS v CA +46574 C C . LYS HA 24 ? 1.2894 0.7725 0.8578 0.0196 -0.0120 -0.0296 24 LYS v C +46575 O O . LYS HA 24 ? 1.3442 0.8373 0.9177 0.0243 -0.0122 -0.0289 24 LYS v O +46576 C CB . LYS HA 24 ? 1.4441 0.9168 1.0048 0.0139 -0.0136 -0.0345 24 LYS v CB +46577 C CG . LYS HA 24 ? 1.6683 1.1330 1.2207 0.0216 -0.0128 -0.0341 24 LYS v CG +46578 C CD . LYS HA 24 ? 1.8295 1.2945 1.3791 0.0254 -0.0134 -0.0360 24 LYS v CD +46579 C CE . LYS HA 24 ? 2.2640 1.7218 1.8059 0.0334 -0.0125 -0.0356 24 LYS v CE +46580 N NZ . LYS HA 24 ? 2.3657 1.8206 1.9027 0.0370 -0.0129 -0.0378 24 LYS v NZ +46581 N N . GLN HA 25 ? 1.3255 0.7982 0.8872 0.0205 -0.0111 -0.0285 25 GLN v N +46582 C CA . GLN HA 25 ? 1.3856 0.8591 0.9464 0.0273 -0.0103 -0.0263 25 GLN v CA +46583 C C . GLN HA 25 ? 1.6468 1.1347 1.2186 0.0270 -0.0102 -0.0242 25 GLN v C +46584 O O . GLN HA 25 ? 1.2187 0.7146 0.7944 0.0327 -0.0102 -0.0230 25 GLN v O +46585 C CB . GLN HA 25 ? 1.5316 0.9905 1.0828 0.0278 -0.0093 -0.0255 25 GLN v CB +46586 C CG . GLN HA 25 ? 1.4109 0.8608 0.9531 0.0354 -0.0089 -0.0255 25 GLN v CG +46587 C CD . GLN HA 25 ? 1.5415 0.9771 1.0745 0.0354 -0.0080 -0.0245 25 GLN v CD +46588 O OE1 . GLN HA 25 ? 1.4492 0.8780 0.9797 0.0290 -0.0076 -0.0249 25 GLN v OE1 +46589 N NE2 . GLN HA 25 ? 1.4600 0.8912 0.9879 0.0426 -0.0075 -0.0233 25 GLN v NE2 +46590 N N . TYR HA 26 ? 1.1448 0.6362 0.7218 0.0203 -0.0103 -0.0237 26 TYR v N +46591 C CA . TYR HA 26 ? 1.3563 0.8611 0.9437 0.0195 -0.0103 -0.0219 26 TYR v CA +46592 C C . TYR HA 26 ? 1.2371 0.7558 0.8330 0.0211 -0.0111 -0.0223 26 TYR v C +46593 O O . TYR HA 26 ? 1.1684 0.6972 0.7705 0.0249 -0.0111 -0.0207 26 TYR v O +46594 C CB . TYR HA 26 ? 1.2314 0.7369 0.8225 0.0117 -0.0101 -0.0216 26 TYR v CB +46595 C CG . TYR HA 26 ? 1.4008 0.9214 1.0035 0.0098 -0.0104 -0.0203 26 TYR v CG +46596 C CD1 . TYR HA 26 ? 1.3441 0.8693 0.9503 0.0120 -0.0097 -0.0178 26 TYR v CD1 +46597 C CD2 . TYR HA 26 ? 1.2389 0.7692 0.8492 0.0061 -0.0114 -0.0215 26 TYR v CD2 +46598 C CE1 . TYR HA 26 ? 1.2532 0.7920 0.8699 0.0104 -0.0100 -0.0167 26 TYR v CE1 +46599 C CE2 . TYR HA 26 ? 1.2750 0.8190 0.8958 0.0046 -0.0116 -0.0204 26 TYR v CE2 +46600 C CZ . TYR HA 26 ? 1.3506 0.8988 0.9746 0.0066 -0.0109 -0.0180 26 TYR v CZ +46601 O OH . TYR HA 26 ? 1.2101 0.7715 0.8443 0.0051 -0.0112 -0.0168 26 TYR v OH +46602 N N . LEU HA 27 ? 1.2074 0.7265 0.8034 0.0183 -0.0120 -0.0246 27 LEU v N +46603 C CA . LEU HA 27 ? 1.2758 0.8075 0.8794 0.0195 -0.0128 -0.0251 27 LEU v CA +46604 C C . LEU HA 27 ? 1.1857 0.7190 0.7872 0.0273 -0.0125 -0.0249 27 LEU v C +46605 O O . LEU HA 27 ? 1.1936 0.7389 0.8024 0.0299 -0.0126 -0.0242 27 LEU v O +46606 C CB . LEU HA 27 ? 1.0995 0.6305 0.7029 0.0146 -0.0139 -0.0276 27 LEU v CB +46607 C CG . LEU HA 27 ? 1.5250 1.0582 1.1331 0.0067 -0.0144 -0.0279 27 LEU v CG +46608 C CD1 . LEU HA 27 ? 1.4132 0.9423 1.0188 0.0022 -0.0156 -0.0307 27 LEU v CD1 +46609 C CD2 . LEU HA 27 ? 1.2931 0.8415 0.9128 0.0053 -0.0147 -0.0264 27 LEU v CD2 +46610 N N . GLU HA 28 ? 1.2045 0.7258 0.7960 0.0310 -0.0121 -0.0257 28 GLU v N +46611 C CA . GLU HA 28 ? 1.2448 0.7673 0.8342 0.0388 -0.0116 -0.0255 28 GLU v CA +46612 C C . GLU HA 28 ? 1.2660 0.7949 0.8599 0.0429 -0.0110 -0.0230 28 GLU v C +46613 O O . GLU HA 28 ? 1.2042 0.7421 0.8026 0.0479 -0.0108 -0.0224 28 GLU v O +46614 C CB . GLU HA 28 ? 1.2907 0.7982 0.8681 0.0419 -0.0113 -0.0268 28 GLU v CB +46615 C CG . GLU HA 28 ? 1.5176 1.0233 1.0915 0.0434 -0.0117 -0.0291 28 GLU v CG +46616 C CD . GLU HA 28 ? 1.7827 1.2976 1.3603 0.0499 -0.0113 -0.0288 28 GLU v CD +46617 O OE1 . GLU HA 28 ? 1.7506 1.2629 1.3250 0.0562 -0.0105 -0.0278 28 GLU v OE1 +46618 O OE2 . GLU HA 28 ? 1.6514 1.1762 1.2353 0.0488 -0.0118 -0.0294 28 GLU v OE2 +46619 N N . GLY HA 29 ? 1.2369 0.7615 0.8297 0.0409 -0.0106 -0.0215 29 GLY v N +46620 C CA . GLY HA 29 ? 1.1670 0.6975 0.7639 0.0444 -0.0102 -0.0191 29 GLY v CA +46621 C C . GLY HA 29 ? 1.3106 0.8572 0.9194 0.0430 -0.0106 -0.0181 29 GLY v C +46622 O O . GLY HA 29 ? 1.0975 0.6526 0.7111 0.0479 -0.0104 -0.0170 29 GLY v O +46623 N N . LYS HA 30 ? 1.0365 0.5875 0.6505 0.0363 -0.0111 -0.0186 30 LYS v N +46624 C CA . LYS HA 30 ? 1.1852 0.7512 0.8103 0.0346 -0.0115 -0.0179 30 LYS v CA +46625 C C . LYS HA 30 ? 1.0712 0.6450 0.6993 0.0394 -0.0116 -0.0184 30 LYS v C +46626 O O . LYS HA 30 ? 1.1440 0.7284 0.7790 0.0423 -0.0114 -0.0171 30 LYS v O +46627 C CB . LYS HA 30 ? 1.0422 0.6104 0.6710 0.0270 -0.0121 -0.0189 30 LYS v CB +46628 C CG . LYS HA 30 ? 1.2526 0.8355 0.8927 0.0247 -0.0126 -0.0180 30 LYS v CG +46629 C CD . LYS HA 30 ? 1.2360 0.8203 0.8796 0.0170 -0.0132 -0.0187 30 LYS v CD +46630 C CE . LYS HA 30 ? 1.4895 1.0882 1.1441 0.0149 -0.0136 -0.0179 30 LYS v CE +46631 N NZ . LYS HA 30 ? 1.2881 0.8890 0.9468 0.0077 -0.0143 -0.0186 30 LYS v NZ +46632 N N . ARG HA 31 ? 1.0945 0.6628 0.7171 0.0404 -0.0117 -0.0204 31 ARG v N +46633 C CA . ARG HA 31 ? 1.1059 0.6812 0.7309 0.0447 -0.0117 -0.0211 31 ARG v CA +46634 C C . ARG HA 31 ? 1.1579 0.7343 0.7818 0.0522 -0.0108 -0.0200 31 ARG v C +46635 O O . ARG HA 31 ? 1.0913 0.6787 0.7218 0.0553 -0.0105 -0.0193 31 ARG v O +46636 C CB . ARG HA 31 ? 1.1632 0.7311 0.7815 0.0444 -0.0120 -0.0235 31 ARG v CB +46637 C CG . ARG HA 31 ? 1.3608 0.9345 0.9801 0.0493 -0.0116 -0.0242 31 ARG v CG +46638 C CD . ARG HA 31 ? 1.7852 1.3497 1.3962 0.0499 -0.0118 -0.0267 31 ARG v CD +46639 N NE . ARG HA 31 ? 1.5571 1.1107 1.1589 0.0552 -0.0111 -0.0271 31 ARG v NE +46640 C CZ . ARG HA 31 ? 1.7923 1.3481 1.3932 0.0620 -0.0102 -0.0269 31 ARG v CZ +46641 N NH1 . ARG HA 31 ? 1.8118 1.3801 1.4203 0.0644 -0.0097 -0.0262 31 ARG v NH1 +46642 N NH2 . ARG HA 31 ? 1.6120 1.1571 1.2041 0.0666 -0.0096 -0.0274 31 ARG v NH2 +46643 N N . LEU HA 32 ? 1.1324 0.6976 0.7480 0.0552 -0.0104 -0.0198 32 LEU v N +46644 C CA . LEU HA 32 ? 1.1024 0.6682 0.7167 0.0625 -0.0097 -0.0189 32 LEU v CA +46645 C C . LEU HA 32 ? 1.0900 0.6652 0.7119 0.0634 -0.0097 -0.0166 32 LEU v C +46646 O O . LEU HA 32 ? 1.0113 0.5942 0.6372 0.0686 -0.0094 -0.0158 32 LEU v O +46647 C CB . LEU HA 32 ? 1.1178 0.6685 0.7208 0.0654 -0.0095 -0.0193 32 LEU v CB +46648 C CG . LEU HA 32 ? 1.3068 0.8476 0.9014 0.0657 -0.0094 -0.0217 32 LEU v CG +46649 C CD1 . LEU HA 32 ? 1.2472 0.7719 0.8308 0.0658 -0.0093 -0.0221 32 LEU v CD1 +46650 C CD2 . LEU HA 32 ? 1.1245 0.6688 0.7185 0.0723 -0.0089 -0.0225 32 LEU v CD2 +46651 N N . PHE HA 33 ? 1.0079 0.5826 0.6320 0.0583 -0.0101 -0.0156 33 PHE v N +46652 C CA . PHE HA 33 ? 1.1158 0.7000 0.7476 0.0584 -0.0101 -0.0135 33 PHE v CA +46653 C C . PHE HA 33 ? 1.2101 0.8094 0.8523 0.0582 -0.0102 -0.0132 33 PHE v C +46654 O O . PHE HA 33 ? 0.9526 0.5604 0.6001 0.0621 -0.0100 -0.0120 33 PHE v O +46655 C CB . PHE HA 33 ? 1.1582 0.7393 0.7905 0.0522 -0.0103 -0.0126 33 PHE v CB +46656 C CG . PHE HA 33 ? 1.2421 0.8320 0.8817 0.0520 -0.0104 -0.0105 33 PHE v CG +46657 C CD1 . PHE HA 33 ? 1.0681 0.6544 0.7047 0.0561 -0.0102 -0.0091 33 PHE v CD1 +46658 C CD2 . PHE HA 33 ? 1.0806 0.6820 0.7297 0.0479 -0.0107 -0.0101 33 PHE v CD2 +46659 C CE1 . PHE HA 33 ? 1.0488 0.6431 0.6919 0.0559 -0.0104 -0.0072 33 PHE v CE1 +46660 C CE2 . PHE HA 33 ? 1.0281 0.6372 0.6836 0.0477 -0.0108 -0.0082 33 PHE v CE2 +46661 C CZ . PHE HA 33 ? 0.9871 0.5928 0.6398 0.0516 -0.0106 -0.0068 33 PHE v CZ +46662 N N . GLN HA 34 ? 1.0149 0.6174 0.6597 0.0538 -0.0106 -0.0145 34 GLN v N +46663 C CA . GLN HA 34 ? 1.0675 0.6834 0.7213 0.0538 -0.0106 -0.0144 34 GLN v CA +46664 C C . GLN HA 34 ? 1.1295 0.7488 0.7830 0.0603 -0.0099 -0.0148 34 GLN v C +46665 O O . GLN HA 34 ? 1.1102 0.7405 0.7710 0.0628 -0.0096 -0.0138 34 GLN v O +46666 C CB . GLN HA 34 ? 1.0225 0.6398 0.6779 0.0482 -0.0112 -0.0158 34 GLN v CB +46667 C CG . GLN HA 34 ? 1.1990 0.8165 0.8574 0.0414 -0.0118 -0.0153 34 GLN v CG +46668 C CD . GLN HA 34 ? 1.1384 0.7581 0.7989 0.0361 -0.0126 -0.0168 34 GLN v CD +46669 O OE1 . GLN HA 34 ? 1.4377 1.0583 1.0970 0.0375 -0.0127 -0.0182 34 GLN v OE1 +46670 N NE2 . GLN HA 34 ? 1.1910 0.8117 0.8548 0.0302 -0.0132 -0.0166 34 GLN v NE2 +46671 N N . TYR HA 35 ? 1.1142 0.7240 0.7592 0.0632 -0.0096 -0.0162 35 TYR v N +46672 C CA . TYR HA 35 ? 1.0624 0.6749 0.7066 0.0694 -0.0088 -0.0169 35 TYR v CA +46673 C C . TYR HA 35 ? 1.1616 0.7781 0.8081 0.0751 -0.0084 -0.0154 35 TYR v C +46674 O O . TYR HA 35 ? 1.0801 0.7063 0.7322 0.0787 -0.0078 -0.0151 35 TYR v O +46675 C CB . TYR HA 35 ? 1.1071 0.7072 0.7410 0.0712 -0.0086 -0.0188 35 TYR v CB +46676 C CG . TYR HA 35 ? 1.1439 0.7429 0.7743 0.0787 -0.0077 -0.0192 35 TYR v CG +46677 C CD1 . TYR HA 35 ? 1.2891 0.8960 0.9230 0.0815 -0.0069 -0.0199 35 TYR v CD1 +46678 C CD2 . TYR HA 35 ? 1.1716 0.7613 0.7950 0.0831 -0.0075 -0.0190 35 TYR v CD2 +46679 C CE1 . TYR HA 35 ? 1.2258 0.8319 0.8567 0.0884 -0.0059 -0.0204 35 TYR v CE1 +46680 C CE2 . TYR HA 35 ? 1.3508 0.9396 0.9711 0.0902 -0.0066 -0.0195 35 TYR v CE2 +46681 C CZ . TYR HA 35 ? 1.4131 1.0104 1.0374 0.0928 -0.0058 -0.0203 35 TYR v CZ +46682 O OH . TYR HA 35 ? 1.2937 0.8905 0.9152 0.0998 -0.0048 -0.0209 35 TYR v OH +46683 N N . ALA HA 36 ? 1.1191 0.7283 0.7614 0.0759 -0.0086 -0.0145 36 ALA v N +46684 C CA . ALA HA 36 ? 1.0930 0.7029 0.7349 0.0821 -0.0084 -0.0134 36 ALA v CA +46685 C C . ALA HA 36 ? 1.0748 0.6904 0.7224 0.0811 -0.0089 -0.0114 36 ALA v C +46686 O O . ALA HA 36 ? 1.0414 0.6615 0.6913 0.0863 -0.0088 -0.0105 36 ALA v O +46687 C CB . ALA HA 36 ? 1.0799 0.6751 0.7105 0.0854 -0.0083 -0.0141 36 ALA v CB +46688 N N . CYS HA 37 ? 0.9852 0.6006 0.6349 0.0750 -0.0094 -0.0107 37 CYS v N +46689 C CA . CYS HA 37 ? 1.0452 0.6635 0.6984 0.0742 -0.0098 -0.0088 37 CYS v CA +46690 C C . CYS HA 37 ? 1.1184 0.7482 0.7815 0.0694 -0.0101 -0.0079 37 CYS v C +46691 O O . CYS HA 37 ? 1.0603 0.6968 0.7286 0.0703 -0.0104 -0.0064 37 CYS v O +46692 C CB . CYS HA 37 ? 0.9692 0.5745 0.6144 0.0718 -0.0100 -0.0085 37 CYS v CB +46693 S SG . CYS HA 37 ? 1.1342 0.7237 0.7665 0.0760 -0.0097 -0.0099 37 CYS v SG +46694 N N . ALA HA 38 ? 1.0671 0.6993 0.7326 0.0644 -0.0102 -0.0089 38 ALA v N +46695 C CA . ALA HA 38 ? 0.9757 0.6166 0.6493 0.0590 -0.0105 -0.0081 38 ALA v CA +46696 C C . ALA HA 38 ? 1.0542 0.7090 0.7372 0.0611 -0.0104 -0.0071 38 ALA v C +46697 O O . ALA HA 38 ? 1.0128 0.6746 0.7024 0.0581 -0.0108 -0.0059 38 ALA v O +46698 C CB . ALA HA 38 ? 0.8898 0.5300 0.5634 0.0538 -0.0107 -0.0096 38 ALA v CB +46699 N N . SER HA 39 ? 0.8960 0.5549 0.5799 0.0663 -0.0099 -0.0076 39 SER v N +46700 C CA . SER HA 39 ? 0.9480 0.6200 0.6408 0.0684 -0.0097 -0.0068 39 SER v CA +46701 C C . SER HA 39 ? 1.0096 0.6853 0.7060 0.0696 -0.0102 -0.0050 39 SER v C +46702 O O . SER HA 39 ? 0.9399 0.6264 0.6447 0.0686 -0.0103 -0.0041 39 SER v O +46703 C CB . SER HA 39 ? 0.9868 0.6611 0.6788 0.0743 -0.0089 -0.0076 39 SER v CB +46704 O OG . SER HA 39 ? 0.9890 0.6580 0.6762 0.0798 -0.0088 -0.0074 39 SER v OG +46705 N N . CYS HA 40 ? 0.9465 0.6129 0.6363 0.0715 -0.0104 -0.0046 40 CYS v N +46706 C CA . CYS HA 40 ? 0.9645 0.6328 0.6566 0.0719 -0.0110 -0.0029 40 CYS v CA +46707 C C . CYS HA 40 ? 0.9573 0.6182 0.6461 0.0668 -0.0114 -0.0023 40 CYS v C +46708 O O . CYS HA 40 ? 0.9934 0.6584 0.6862 0.0652 -0.0118 -0.0009 40 CYS v O +46709 C CB . CYS HA 40 ? 0.8827 0.5473 0.5706 0.0787 -0.0111 -0.0026 40 CYS v CB +46710 S SG . CYS HA 40 ? 1.0025 0.6768 0.6952 0.0853 -0.0106 -0.0032 40 CYS v SG +46711 N N . HIS HA 41 ? 0.9045 0.5550 0.5862 0.0639 -0.0112 -0.0033 41 HIS v N +46712 C CA . HIS HA 41 ? 0.9014 0.5436 0.5789 0.0596 -0.0113 -0.0028 41 HIS v CA +46713 C C . HIS HA 41 ? 0.9573 0.5999 0.6370 0.0525 -0.0113 -0.0034 41 HIS v C +46714 O O . HIS HA 41 ? 0.9674 0.6015 0.6424 0.0487 -0.0112 -0.0033 41 HIS v O +46715 C CB . HIS HA 41 ? 1.0076 0.6353 0.6740 0.0620 -0.0112 -0.0032 41 HIS v CB +46716 C CG . HIS HA 41 ? 1.1355 0.7612 0.7991 0.0683 -0.0114 -0.0023 41 HIS v CG +46717 N ND1 . HIS HA 41 ? 1.0942 0.7203 0.7587 0.0684 -0.0118 -0.0006 41 HIS v ND1 +46718 C CD2 . HIS HA 41 ? 1.0332 0.6566 0.6931 0.0749 -0.0113 -0.0028 41 HIS v CD2 +46719 C CE1 . HIS HA 41 ? 1.0498 0.6739 0.7112 0.0748 -0.0121 -0.0001 41 HIS v CE1 +46720 N NE2 . HIS HA 41 ? 1.0509 0.6734 0.7096 0.0788 -0.0118 -0.0014 41 HIS v NE2 +46721 N N . VAL HA 42 ? 0.9031 0.5552 0.5896 0.0505 -0.0114 -0.0040 42 VAL v N +46722 C CA . VAL HA 42 ? 0.9084 0.5615 0.5974 0.0440 -0.0115 -0.0047 42 VAL v CA +46723 C C . VAL HA 42 ? 0.9520 0.6030 0.6417 0.0393 -0.0116 -0.0037 42 VAL v C +46724 O O . VAL HA 42 ? 0.9540 0.6102 0.6478 0.0400 -0.0117 -0.0021 42 VAL v O +46725 C CB . VAL HA 42 ? 0.9428 0.6088 0.6408 0.0428 -0.0117 -0.0049 42 VAL v CB +46726 C CG1 . VAL HA 42 ? 0.9430 0.6198 0.6488 0.0449 -0.0118 -0.0033 42 VAL v CG1 +46727 C CG2 . VAL HA 42 ? 0.8721 0.5397 0.5732 0.0360 -0.0121 -0.0055 42 VAL v CG2 +46728 N N . GLY HA 43 ? 0.9178 0.5611 0.6033 0.0344 -0.0116 -0.0046 43 GLY v N +46729 C CA . GLY HA 43 ? 0.8439 0.4853 0.5303 0.0295 -0.0114 -0.0037 43 GLY v CA +46730 C C . GLY HA 43 ? 1.0288 0.6630 0.7100 0.0316 -0.0110 -0.0023 43 GLY v C +46731 O O . GLY HA 43 ? 0.9905 0.6236 0.6726 0.0278 -0.0108 -0.0014 43 GLY v O +46732 N N . GLY HA 44 ? 0.9320 0.5613 0.6078 0.0375 -0.0110 -0.0021 44 GLY v N +46733 C CA . GLY HA 44 ? 0.9866 0.6075 0.6561 0.0398 -0.0107 -0.0009 44 GLY v CA +46734 C C . GLY HA 44 ? 1.0206 0.6482 0.6941 0.0438 -0.0111 0.0008 44 GLY v C +46735 O O . GLY HA 44 ? 1.0421 0.6631 0.7106 0.0456 -0.0110 0.0019 44 GLY v O +46736 N N A ILE HA 45 ? 0.9116 0.5520 0.5939 0.0452 -0.0115 0.0010 45 ILE v N +46737 N N B ILE HA 45 ? 0.9107 0.5512 0.5931 0.0451 -0.0115 0.0010 45 ILE v N +46738 C CA A ILE HA 45 ? 0.8984 0.5462 0.5852 0.0490 -0.0119 0.0025 45 ILE v CA +46739 C CA B ILE HA 45 ? 0.8971 0.5448 0.5838 0.0490 -0.0119 0.0025 45 ILE v CA +46740 C C A ILE HA 45 ? 0.9600 0.6088 0.6453 0.0559 -0.0122 0.0021 45 ILE v C +46741 C C B ILE HA 45 ? 0.9607 0.6097 0.6461 0.0559 -0.0122 0.0021 45 ILE v C +46742 O O A ILE HA 45 ? 0.9362 0.5785 0.6158 0.0578 -0.0119 0.0008 45 ILE v O +46743 O O B ILE HA 45 ? 0.9353 0.5780 0.6152 0.0578 -0.0119 0.0008 45 ILE v O +46744 C CB A ILE HA 45 ? 1.0118 0.6732 0.7093 0.0461 -0.0122 0.0030 45 ILE v CB +46745 C CB B ILE HA 45 ? 1.0118 0.6730 0.7092 0.0461 -0.0122 0.0030 45 ILE v CB +46746 C CG1 A ILE HA 45 ? 0.9641 0.6330 0.6665 0.0463 -0.0122 0.0017 45 ILE v CG1 +46747 C CG1 B ILE HA 45 ? 0.9661 0.6350 0.6686 0.0461 -0.0122 0.0018 45 ILE v CG1 +46748 C CG2 A ILE HA 45 ? 0.8208 0.4813 0.5200 0.0393 -0.0119 0.0034 45 ILE v CG2 +46749 C CG2 B ILE HA 45 ? 0.8191 0.4794 0.5181 0.0394 -0.0119 0.0034 45 ILE v CG2 +46750 C CD1 A ILE HA 45 ? 1.1879 0.8704 0.9003 0.0459 -0.0125 0.0023 45 ILE v CD1 +46751 C CD1 B ILE HA 45 ? 1.1915 0.8743 0.9042 0.0459 -0.0125 0.0024 45 ILE v CD1 +46752 N N . THR HA 46 ? 0.8689 0.5262 0.5594 0.0598 -0.0127 0.0030 46 THR v N +46753 C CA . THR HA 46 ? 0.9569 0.6173 0.6475 0.0665 -0.0129 0.0026 46 THR v CA +46754 C C . THR HA 46 ? 1.0078 0.6830 0.7090 0.0673 -0.0132 0.0031 46 THR v C +46755 O O . THR HA 46 ? 0.8797 0.5598 0.5845 0.0683 -0.0138 0.0043 46 THR v O +46756 C CB . THR HA 46 ? 1.0583 0.7111 0.7422 0.0717 -0.0134 0.0033 46 THR v CB +46757 O OG1 . THR HA 46 ? 1.0084 0.6469 0.6823 0.0703 -0.0130 0.0030 46 THR v OG1 +46758 C CG2 . THR HA 46 ? 0.9055 0.5613 0.5895 0.0788 -0.0136 0.0027 46 THR v CG2 +46759 N N A LYS HA 47 ? 0.8857 0.5676 0.5913 0.0671 -0.0128 0.0020 47 LYS v N +46760 N N B LYS HA 47 ? 0.8850 0.5668 0.5906 0.0671 -0.0128 0.0020 47 LYS v N +46761 C CA A LYS HA 47 ? 0.8933 0.5889 0.6089 0.0669 -0.0129 0.0024 47 LYS v CA +46762 C CA B LYS HA 47 ? 0.8931 0.5887 0.6087 0.0670 -0.0129 0.0024 47 LYS v CA +46763 C C A LYS HA 47 ? 0.9718 0.6732 0.6903 0.0728 -0.0134 0.0030 47 LYS v C +46764 C C B LYS HA 47 ? 0.9738 0.6751 0.6922 0.0728 -0.0134 0.0030 47 LYS v C +46765 O O A LYS HA 47 ? 0.8997 0.6113 0.6260 0.0724 -0.0137 0.0038 47 LYS v O +46766 O O B LYS HA 47 ? 0.9001 0.6115 0.6263 0.0723 -0.0137 0.0039 47 LYS v O +46767 C CB A LYS HA 47 ? 0.8745 0.5748 0.5931 0.0660 -0.0123 0.0011 47 LYS v CB +46768 C CB B LYS HA 47 ? 0.8738 0.5742 0.5925 0.0660 -0.0123 0.0011 47 LYS v CB +46769 C CG A LYS HA 47 ? 0.9297 0.6276 0.6480 0.0596 -0.0121 0.0006 47 LYS v CG +46770 C CG B LYS HA 47 ? 0.9300 0.6277 0.6482 0.0597 -0.0121 0.0006 47 LYS v CG +46771 C CD A LYS HA 47 ? 0.9353 0.6396 0.6577 0.0585 -0.0116 -0.0005 47 LYS v CD +46772 C CD B LYS HA 47 ? 0.9346 0.6389 0.6571 0.0584 -0.0116 -0.0005 47 LYS v CD +46773 C CE A LYS HA 47 ? 0.9920 0.6971 0.7167 0.0519 -0.0118 -0.0007 47 LYS v CE +46774 C CE B LYS HA 47 ? 0.9908 0.6960 0.7157 0.0518 -0.0118 -0.0007 47 LYS v CE +46775 N NZ A LYS HA 47 ? 0.9848 0.6936 0.7115 0.0507 -0.0115 -0.0019 47 LYS v NZ +46776 N NZ B LYS HA 47 ? 0.9710 0.6812 0.6990 0.0504 -0.0115 -0.0017 47 LYS v NZ +46777 N N . THR HA 48 ? 0.8701 0.5654 0.5826 0.0783 -0.0134 0.0026 48 THR v N +46778 C CA . THR HA 48 ? 0.9518 0.6529 0.6672 0.0841 -0.0140 0.0030 48 THR v CA +46779 C C . THR HA 48 ? 0.9591 0.6555 0.6712 0.0858 -0.0150 0.0043 48 THR v C +46780 O O . THR HA 48 ? 0.9557 0.6571 0.6704 0.0905 -0.0157 0.0047 48 THR v O +46781 C CB . THR HA 48 ? 1.0351 0.7337 0.7468 0.0898 -0.0135 0.0018 48 THR v CB +46782 O OG1 . THR HA 48 ? 0.9882 0.6729 0.6895 0.0906 -0.0134 0.0013 48 THR v OG1 +46783 C CG2 . THR HA 48 ? 0.8994 0.6049 0.6158 0.0885 -0.0124 0.0007 48 THR v CG2 +46784 N N . ASN HA 49 ? 0.9099 0.5972 0.6164 0.0821 -0.0151 0.0049 49 ASN v N +46785 C CA . ASN HA 49 ? 0.9477 0.6312 0.6516 0.0827 -0.0159 0.0062 49 ASN v CA +46786 C C . ASN HA 49 ? 0.9237 0.6007 0.6247 0.0762 -0.0155 0.0068 49 ASN v C +46787 O O . ASN HA 49 ? 0.9522 0.6170 0.6444 0.0755 -0.0152 0.0067 49 ASN v O +46788 C CB . ASN HA 49 ? 0.9032 0.5770 0.5984 0.0885 -0.0164 0.0063 49 ASN v CB +46789 C CG . ASN HA 49 ? 1.0955 0.7671 0.7889 0.0898 -0.0175 0.0077 49 ASN v CG +46790 O OD1 . ASN HA 49 ? 0.9440 0.6188 0.6409 0.0855 -0.0177 0.0087 49 ASN v OD1 +46791 N ND2 . ASN HA 49 ? 0.9915 0.6577 0.6793 0.0959 -0.0183 0.0079 49 ASN v ND2 +46792 N N A PRO HA 50 ? 0.9668 0.6519 0.6751 0.0715 -0.0155 0.0074 50 PRO v N +46793 N N B PRO HA 50 ? 0.9680 0.6531 0.6763 0.0714 -0.0155 0.0073 50 PRO v N +46794 C CA A PRO HA 50 ? 0.8941 0.5741 0.6005 0.0650 -0.0150 0.0077 50 PRO v CA +46795 C CA B PRO HA 50 ? 0.8925 0.5724 0.5988 0.0650 -0.0149 0.0077 50 PRO v CA +46796 C C A PRO HA 50 ? 0.9086 0.5791 0.6082 0.0646 -0.0151 0.0088 50 PRO v C +46797 C C B PRO HA 50 ? 0.9081 0.5784 0.6076 0.0646 -0.0151 0.0088 50 PRO v C +46798 O O A PRO HA 50 ? 0.9791 0.6434 0.6757 0.0595 -0.0145 0.0090 50 PRO v O +46799 O O B PRO HA 50 ? 0.9809 0.6449 0.6773 0.0595 -0.0145 0.0089 50 PRO v O +46800 C CB A PRO HA 50 ? 0.9718 0.6640 0.6883 0.0611 -0.0150 0.0080 50 PRO v CB +46801 C CB B PRO HA 50 ? 0.9729 0.6651 0.6894 0.0611 -0.0150 0.0081 50 PRO v CB +46802 C CG A PRO HA 50 ? 0.8584 0.5608 0.5812 0.0647 -0.0151 0.0073 50 PRO v CG +46803 C CG B PRO HA 50 ? 0.8573 0.5595 0.5801 0.0645 -0.0151 0.0073 50 PRO v CG +46804 C CD A PRO HA 50 ? 0.9752 0.6746 0.6940 0.0715 -0.0157 0.0074 50 PRO v CD +46805 C CD B PRO HA 50 ? 0.9766 0.6759 0.6953 0.0713 -0.0157 0.0074 50 PRO v CD +46806 N N . SER HA 51 ? 0.9730 0.6419 0.6700 0.0698 -0.0160 0.0096 51 SER v N +46807 C CA . SER HA 51 ? 1.0194 0.6784 0.7091 0.0697 -0.0162 0.0108 51 SER v CA +46808 C C . SER HA 51 ? 1.0095 0.6538 0.6885 0.0694 -0.0154 0.0103 51 SER v C +46809 O O . SER HA 51 ? 1.0637 0.6990 0.7367 0.0671 -0.0151 0.0112 51 SER v O +46810 C CB . SER HA 51 ? 0.9446 0.6055 0.6339 0.0758 -0.0175 0.0116 51 SER v CB +46811 O OG . SER HA 51 ? 0.9568 0.6300 0.6552 0.0753 -0.0182 0.0123 51 SER v OG +46812 N N . LEU HA 52 ? 1.0058 0.6474 0.6822 0.0717 -0.0151 0.0090 52 LEU v N +46813 C CA . LEU HA 52 ? 0.9356 0.5632 0.6017 0.0718 -0.0145 0.0083 52 LEU v CA +46814 C C . LEU HA 52 ? 1.0775 0.7044 0.7446 0.0667 -0.0135 0.0070 52 LEU v C +46815 O O . LEU HA 52 ? 1.0832 0.7182 0.7560 0.0671 -0.0135 0.0060 52 LEU v O +46816 C CB . LEU HA 52 ? 1.0474 0.6714 0.7088 0.0792 -0.0150 0.0078 52 LEU v CB +46817 C CG . LEU HA 52 ? 1.1503 0.7730 0.8091 0.0847 -0.0162 0.0090 52 LEU v CG +46818 C CD1 . LEU HA 52 ? 1.1337 0.7550 0.7894 0.0923 -0.0168 0.0083 52 LEU v CD1 +46819 C CD2 . LEU HA 52 ? 0.9989 0.6088 0.6487 0.0831 -0.0160 0.0102 52 LEU v CD2 +46820 N N . ASP HA 53 ? 0.9021 0.5199 0.5640 0.0616 -0.0127 0.0070 53 ASP v N +46821 C CA . ASP HA 53 ? 1.0261 0.6427 0.6885 0.0567 -0.0120 0.0056 53 ASP v CA +46822 C C . ASP HA 53 ? 1.0596 0.6614 0.7111 0.0572 -0.0114 0.0047 53 ASP v C +46823 O O . ASP HA 53 ? 1.1117 0.7054 0.7559 0.0620 -0.0116 0.0051 53 ASP v O +46824 C CB . ASP HA 53 ? 0.9217 0.5420 0.5891 0.0495 -0.0115 0.0060 53 ASP v CB +46825 C CG . ASP HA 53 ? 1.0378 0.6488 0.6992 0.0469 -0.0109 0.0072 53 ASP v CG +46826 O OD1 . ASP HA 53 ? 0.9979 0.5961 0.6497 0.0480 -0.0105 0.0071 53 ASP v OD1 +46827 O OD2 . ASP HA 53 ? 1.0453 0.6617 0.7117 0.0436 -0.0108 0.0083 53 ASP v OD2 +46828 N N . LEU HA 54 ? 1.0226 0.6213 0.6732 0.0522 -0.0108 0.0034 54 LEU v N +46829 C CA . LEU HA 54 ? 1.0190 0.6039 0.6597 0.0517 -0.0102 0.0024 54 LEU v CA +46830 C C . LEU HA 54 ? 1.0620 0.6392 0.6993 0.0450 -0.0093 0.0026 54 LEU v C +46831 O O . LEU HA 54 ? 1.0437 0.6121 0.6755 0.0419 -0.0088 0.0014 54 LEU v O +46832 C CB . LEU HA 54 ? 1.0139 0.6001 0.6553 0.0517 -0.0102 0.0004 54 LEU v CB +46833 C CG . LEU HA 54 ? 1.0406 0.6355 0.6862 0.0578 -0.0108 0.0000 54 LEU v CG +46834 C CD1 . LEU HA 54 ? 1.0199 0.6138 0.6643 0.0575 -0.0106 -0.0020 54 LEU v CD1 +46835 C CD2 . LEU HA 54 ? 1.0725 0.6630 0.7129 0.0651 -0.0112 0.0007 54 LEU v CD2 +46836 N N . ARG HA 55 ? 0.9483 0.5290 0.5891 0.0423 -0.0092 0.0041 55 ARG v N +46837 C CA . ARG HA 55 ? 1.0841 0.6570 0.7211 0.0364 -0.0081 0.0045 55 ARG v CA +46838 C C . ARG HA 55 ? 1.1506 0.7077 0.7755 0.0386 -0.0076 0.0049 55 ARG v C +46839 O O . ARG HA 55 ? 1.0791 0.6329 0.6996 0.0449 -0.0081 0.0057 55 ARG v O +46840 C CB . ARG HA 55 ? 1.0443 0.6242 0.6872 0.0339 -0.0080 0.0061 55 ARG v CB +46841 C CG . ARG HA 55 ? 1.1357 0.7301 0.7902 0.0308 -0.0083 0.0058 55 ARG v CG +46842 C CD . ARG HA 55 ? 1.0196 0.6192 0.6789 0.0275 -0.0080 0.0073 55 ARG v CD +46843 N NE . ARG HA 55 ? 1.5098 1.1166 1.1764 0.0211 -0.0076 0.0065 55 ARG v NE +46844 C CZ . ARG HA 55 ? 1.5509 1.1690 1.2263 0.0191 -0.0078 0.0072 55 ARG v CZ +46845 N NH1 . ARG HA 55 ? 1.6020 1.2260 1.2805 0.0228 -0.0084 0.0086 55 ARG v NH1 +46846 N NH2 . ARG HA 55 ? 1.1493 0.7729 0.8307 0.0134 -0.0075 0.0064 55 ARG v NH2 +46847 N N . THR HA 56 ? 1.1340 0.6811 0.7534 0.0333 -0.0065 0.0043 56 THR v N +46848 C CA . THR HA 56 ? 1.0628 0.5939 0.6700 0.0348 -0.0058 0.0045 56 THR v CA +46849 C C . THR HA 56 ? 1.2568 0.7845 0.8605 0.0375 -0.0057 0.0067 56 THR v C +46850 O O . THR HA 56 ? 1.1540 0.6731 0.7497 0.0431 -0.0060 0.0073 56 THR v O +46851 C CB . THR HA 56 ? 1.1800 0.7023 0.7832 0.0276 -0.0045 0.0036 56 THR v CB +46852 O OG1 . THR HA 56 ? 1.2442 0.7692 0.8500 0.0257 -0.0049 0.0014 56 THR v OG1 +46853 C CG2 . THR HA 56 ? 1.1546 0.6596 0.7450 0.0287 -0.0037 0.0039 56 THR v CG2 +46854 N N . GLU HA 57 ? 1.1045 0.6390 0.7142 0.0340 -0.0053 0.0079 57 GLU v N +46855 C CA . GLU HA 57 ? 1.1246 0.6567 0.7314 0.0364 -0.0053 0.0100 57 GLU v CA +46856 C C . GLU HA 57 ? 1.1109 0.6483 0.7190 0.0444 -0.0069 0.0106 57 GLU v C +46857 O O . GLU HA 57 ? 1.2061 0.7366 0.8076 0.0487 -0.0072 0.0119 57 GLU v O +46858 C CB . GLU HA 57 ? 1.0920 0.6326 0.7065 0.0313 -0.0047 0.0110 57 GLU v CB +46859 C CG . GLU HA 57 ? 1.4877 1.0246 1.1022 0.0230 -0.0031 0.0103 57 GLU v CG +46860 C CD . GLU HA 57 ? 1.5678 1.1127 1.1897 0.0193 -0.0034 0.0084 57 GLU v CD +46861 O OE1 . GLU HA 57 ? 1.2863 0.8392 0.9129 0.0231 -0.0047 0.0076 57 GLU v OE1 +46862 O OE2 . GLU HA 57 ? 1.7391 1.2822 1.3620 0.0126 -0.0023 0.0076 57 GLU v OE2 +46863 N N . THR HA 58 ? 1.0816 0.6313 0.6982 0.0464 -0.0079 0.0098 58 THR v N +46864 C CA . THR HA 58 ? 1.1258 0.6814 0.7444 0.0539 -0.0094 0.0102 58 THR v CA +46865 C C . THR HA 58 ? 1.1436 0.6888 0.7530 0.0596 -0.0097 0.0096 58 THR v C +46866 O O . THR HA 58 ? 1.1660 0.7092 0.7719 0.0659 -0.0106 0.0105 58 THR v O +46867 C CB . THR HA 58 ? 1.1441 0.7154 0.7742 0.0542 -0.0102 0.0093 58 THR v CB +46868 O OG1 . THR HA 58 ? 0.9886 0.5686 0.6268 0.0483 -0.0097 0.0097 58 THR v OG1 +46869 C CG2 . THR HA 58 ? 0.9108 0.4898 0.5443 0.0614 -0.0116 0.0099 58 THR v CG2 +46870 N N . LEU HA 59 ? 1.0819 0.6208 0.6875 0.0577 -0.0091 0.0080 59 LEU v N +46871 C CA . LEU HA 59 ? 1.1970 0.7253 0.7934 0.0628 -0.0093 0.0072 59 LEU v CA +46872 C C . LEU HA 59 ? 1.2326 0.7458 0.8174 0.0642 -0.0088 0.0084 59 LEU v C +46873 O O . LEU HA 59 ? 1.1591 0.6660 0.7373 0.0708 -0.0095 0.0087 59 LEU v O +46874 C CB . LEU HA 59 ? 1.0890 0.6135 0.6837 0.0595 -0.0086 0.0052 59 LEU v CB +46875 C CG . LEU HA 59 ? 1.1563 0.6947 0.7613 0.0589 -0.0091 0.0039 59 LEU v CG +46876 C CD1 . LEU HA 59 ? 1.0794 0.6140 0.6831 0.0542 -0.0085 0.0019 59 LEU v CD1 +46877 C CD2 . LEU HA 59 ? 1.0920 0.6366 0.6992 0.0667 -0.0102 0.0036 59 LEU v CD2 +46878 N N . ALA HA 60 ? 1.1335 0.6408 0.7157 0.0580 -0.0076 0.0092 60 ALA v N +46879 C CA . ALA HA 60 ? 1.1929 0.6855 0.7639 0.0587 -0.0069 0.0105 60 ALA v CA +46880 C C . ALA HA 60 ? 1.3227 0.8164 0.8922 0.0652 -0.0081 0.0122 60 ALA v C +46881 O O . ALA HA 60 ? 1.2466 0.7284 0.8059 0.0697 -0.0083 0.0128 60 ALA v O +46882 C CB . ALA HA 60 ? 1.1452 0.6341 0.7158 0.0507 -0.0053 0.0111 60 ALA v CB +46883 N N . LEU HA 61 ? 1.1240 0.6319 0.7035 0.0659 -0.0090 0.0129 61 LEU v N +46884 C CA . LEU HA 61 ? 1.1047 0.6150 0.6837 0.0716 -0.0103 0.0144 61 LEU v CA +46885 C C . LEU HA 61 ? 1.0875 0.6038 0.6687 0.0796 -0.0120 0.0138 61 LEU v C +46886 O O . LEU HA 61 ? 1.1811 0.6999 0.7622 0.0850 -0.0133 0.0149 61 LEU v O +46887 C CB . LEU HA 61 ? 1.1538 0.6760 0.7421 0.0683 -0.0104 0.0155 61 LEU v CB +46888 C CG . LEU HA 61 ? 1.2589 0.7748 0.8444 0.0613 -0.0087 0.0165 61 LEU v CG +46889 C CD1 . LEU HA 61 ? 1.2916 0.8200 0.8869 0.0578 -0.0088 0.0173 61 LEU v CD1 +46890 C CD2 . LEU HA 61 ? 1.2780 0.7791 0.8513 0.0636 -0.0084 0.0180 61 LEU v CD2 +46891 N N . ALA HA 62 ? 1.0457 0.5644 0.6289 0.0805 -0.0120 0.0120 62 ALA v N +46892 C CA . ALA HA 62 ? 1.1978 0.7198 0.7814 0.0884 -0.0133 0.0114 62 ALA v CA +46893 C C . ALA HA 62 ? 1.2988 0.8062 0.8698 0.0941 -0.0137 0.0119 62 ALA v C +46894 O O . ALA HA 62 ? 1.1243 0.6176 0.6856 0.0915 -0.0127 0.0124 62 ALA v O +46895 C CB . ALA HA 62 ? 1.0464 0.5722 0.6333 0.0879 -0.0130 0.0093 62 ALA v CB +46896 N N . THR HA 63 ? 1.0720 0.5829 0.6434 0.1019 -0.0151 0.0117 63 THR v N +46897 C CA . THR HA 63 ? 1.2161 0.7144 0.7763 0.1084 -0.0157 0.0120 63 THR v CA +46898 C C . THR HA 63 ? 1.1731 0.6718 0.7326 0.1136 -0.0161 0.0102 63 THR v C +46899 O O . THR HA 63 ? 1.1775 0.6891 0.7454 0.1176 -0.0171 0.0096 63 THR v O +46900 C CB . THR HA 63 ? 1.1574 0.6583 0.7174 0.1140 -0.0174 0.0135 63 THR v CB +46901 O OG1 . THR HA 63 ? 1.2106 0.7094 0.7699 0.1091 -0.0169 0.0152 63 THR v OG1 +46902 C CG2 . THR HA 63 ? 1.2299 0.7174 0.7779 0.1212 -0.0182 0.0137 63 THR v CG2 +46903 N N . PRO HA 64 ? 1.2659 0.7509 0.8156 0.1137 -0.0152 0.0093 64 PRO v N +46904 C CA . PRO HA 64 ? 1.2769 0.7467 0.8168 0.1085 -0.0138 0.0098 64 PRO v CA +46905 C C . PRO HA 64 ? 1.3388 0.8129 0.8846 0.0996 -0.0124 0.0091 64 PRO v C +46906 O O . PRO HA 64 ? 1.2549 0.7419 0.8106 0.0986 -0.0126 0.0080 64 PRO v O +46907 C CB . PRO HA 64 ? 1.1506 0.6067 0.6795 0.1129 -0.0136 0.0088 64 PRO v CB +46908 C CG . PRO HA 64 ? 1.1506 0.6168 0.6863 0.1162 -0.0141 0.0070 64 PRO v CG +46909 C CD . PRO HA 64 ? 1.1854 0.6689 0.7328 0.1188 -0.0153 0.0076 64 PRO v CD +46910 N N . PRO HA 65 ? 1.3061 0.7697 0.8459 0.0933 -0.0110 0.0096 65 PRO v N +46911 C CA . PRO HA 65 ? 1.2781 0.7467 0.8242 0.0848 -0.0098 0.0089 65 PRO v CA +46912 C C . PRO HA 65 ? 1.3645 0.8374 0.9143 0.0839 -0.0097 0.0066 65 PRO v C +46913 O O . PRO HA 65 ? 1.2979 0.7628 0.8409 0.0879 -0.0097 0.0055 65 PRO v O +46914 C CB . PRO HA 65 ? 1.3640 0.8170 0.9002 0.0796 -0.0083 0.0094 65 PRO v CB +46915 C CG . PRO HA 65 ? 1.4258 0.8699 0.9536 0.0846 -0.0088 0.0113 65 PRO v CG +46916 C CD . PRO HA 65 ? 1.2011 0.6479 0.7283 0.0937 -0.0104 0.0108 65 PRO v CD +46917 N N . ARG HA 66 ? 1.2750 0.7605 0.8355 0.0790 -0.0095 0.0060 66 ARG v N +46918 C CA . ARG HA 66 ? 1.0888 0.5791 0.6534 0.0776 -0.0093 0.0040 66 ARG v CA +46919 C C . ARG HA 66 ? 1.1712 0.6611 0.7382 0.0688 -0.0082 0.0032 66 ARG v C +46920 O O . ARG HA 66 ? 1.2838 0.7812 0.8568 0.0665 -0.0083 0.0017 66 ARG v O +46921 C CB . ARG HA 66 ? 1.0837 0.5909 0.6596 0.0810 -0.0104 0.0037 66 ARG v CB +46922 C CG . ARG HA 66 ? 1.1052 0.6154 0.6808 0.0892 -0.0116 0.0046 66 ARG v CG +46923 C CD . ARG HA 66 ? 1.1242 0.6256 0.6915 0.0958 -0.0118 0.0036 66 ARG v CD +46924 N NE . ARG HA 66 ? 1.1833 0.6914 0.7533 0.1037 -0.0131 0.0041 66 ARG v NE +46925 C CZ . ARG HA 66 ? 1.1425 0.6467 0.7077 0.1106 -0.0135 0.0032 66 ARG v CZ +46926 N NH1 . ARG HA 66 ? 1.2455 0.7387 0.8027 0.1108 -0.0128 0.0018 66 ARG v NH1 +46927 N NH2 . ARG HA 66 ? 1.2158 0.7274 0.7845 0.1176 -0.0147 0.0036 66 ARG v NH2 +46928 N N . ASP HA 67 ? 1.1737 0.6552 0.7360 0.0638 -0.0073 0.0041 67 ASP v N +46929 C CA . ASP HA 67 ? 1.1338 0.6143 0.6981 0.0552 -0.0061 0.0033 67 ASP v CA +46930 C C . ASP HA 67 ? 1.2406 0.7064 0.7950 0.0530 -0.0053 0.0019 67 ASP v C +46931 O O . ASP HA 67 ? 1.2196 0.6777 0.7704 0.0467 -0.0041 0.0019 67 ASP v O +46932 C CB . ASP HA 67 ? 1.1728 0.6531 0.7382 0.0506 -0.0054 0.0051 67 ASP v CB +46933 C CG . ASP HA 67 ? 1.2875 0.7533 0.8416 0.0529 -0.0048 0.0065 67 ASP v CG +46934 O OD1 . ASP HA 67 ? 1.2687 0.7286 0.8163 0.0599 -0.0056 0.0066 67 ASP v OD1 +46935 O OD2 . ASP HA 67 ? 1.2884 0.7487 0.8398 0.0478 -0.0036 0.0075 67 ASP v OD2 +46936 N N . ASN HA 68 ? 1.1295 0.5910 0.6792 0.0581 -0.0058 0.0006 68 ASN v N +46937 C CA . ASN HA 68 ? 1.2541 0.7020 0.7945 0.0565 -0.0052 -0.0010 68 ASN v CA +46938 C C . ASN HA 68 ? 1.3091 0.7594 0.8496 0.0618 -0.0060 -0.0026 68 ASN v C +46939 O O . ASN HA 68 ? 1.2212 0.6814 0.7669 0.0676 -0.0069 -0.0023 68 ASN v O +46940 C CB . ASN HA 68 ? 1.3162 0.7469 0.8437 0.0583 -0.0045 0.0001 68 ASN v CB +46941 C CG . ASN HA 68 ? 1.3471 0.7767 0.8710 0.0672 -0.0054 0.0013 68 ASN v CG +46942 O OD1 . ASN HA 68 ? 1.3014 0.7299 0.8228 0.0732 -0.0061 0.0003 68 ASN v OD1 +46943 N ND2 . ASN HA 68 ? 1.2927 0.7229 0.8166 0.0683 -0.0055 0.0035 68 ASN v ND2 +46944 N N . ILE HA 69 ? 1.2231 0.6641 0.7574 0.0598 -0.0056 -0.0045 69 ILE v N +46945 C CA . ILE HA 69 ? 1.2221 0.6659 0.7569 0.0636 -0.0062 -0.0064 69 ILE v CA +46946 C C . ILE HA 69 ? 1.2864 0.7287 0.8173 0.0730 -0.0068 -0.0059 69 ILE v C +46947 O O . ILE HA 69 ? 1.2602 0.7134 0.7975 0.0775 -0.0075 -0.0064 69 ILE v O +46948 C CB . ILE HA 69 ? 1.4190 0.8509 0.9462 0.0599 -0.0056 -0.0085 69 ILE v CB +46949 C CG1 . ILE HA 69 ? 1.3141 0.7489 0.8463 0.0506 -0.0051 -0.0092 69 ILE v CG1 +46950 C CG2 . ILE HA 69 ? 1.3300 0.7639 0.8569 0.0643 -0.0062 -0.0105 69 ILE v CG2 +46951 C CD1 . ILE HA 69 ? 1.2308 0.6822 0.7752 0.0485 -0.0058 -0.0100 69 ILE v CD1 +46952 N N . GLU HA 70 ? 1.2909 0.7194 0.8111 0.0762 -0.0066 -0.0050 70 GLU v N +46953 C CA . GLU HA 70 ? 1.3776 0.8033 0.8931 0.0854 -0.0072 -0.0048 70 GLU v CA +46954 C C . GLU HA 70 ? 1.2622 0.7016 0.7863 0.0900 -0.0082 -0.0033 70 GLU v C +46955 O O . GLU HA 70 ? 1.2585 0.7047 0.7855 0.0965 -0.0089 -0.0038 70 GLU v O +46956 C CB . GLU HA 70 ? 1.4782 0.8857 0.9801 0.0876 -0.0068 -0.0041 70 GLU v CB +46957 C CG . GLU HA 70 ? 1.8803 1.2732 1.3719 0.0865 -0.0062 -0.0060 70 GLU v CG +46958 C CD . GLU HA 70 ? 1.7869 1.1611 1.2654 0.0859 -0.0054 -0.0052 70 GLU v CD +46959 O OE1 . GLU HA 70 ? 1.5346 0.9053 1.0093 0.0904 -0.0057 -0.0033 70 GLU v OE1 +46960 O OE2 . GLU HA 70 ? 1.7275 1.0906 1.1995 0.0808 -0.0045 -0.0064 70 GLU v OE2 +46961 N N . GLY HA 71 ? 1.2066 0.6503 0.7349 0.0867 -0.0082 -0.0015 71 GLY v N +46962 C CA . GLY HA 71 ? 1.2566 0.7141 0.7938 0.0904 -0.0091 -0.0001 71 GLY v CA +46963 C C . GLY HA 71 ? 1.1449 0.6192 0.6942 0.0901 -0.0095 -0.0011 71 GLY v C +46964 O O . GLY HA 71 ? 1.1679 0.6521 0.7227 0.0959 -0.0104 -0.0009 71 GLY v O +46965 N N . LEU HA 72 ? 1.1077 0.5854 0.6613 0.0834 -0.0090 -0.0023 72 LEU v N +46966 C CA . LEU HA 72 ? 1.1630 0.6558 0.7274 0.0830 -0.0093 -0.0033 72 LEU v CA +46967 C C . LEU HA 72 ? 1.2405 0.7327 0.8025 0.0888 -0.0095 -0.0050 72 LEU v C +46968 O O . LEU HA 72 ? 1.1478 0.6523 0.7174 0.0926 -0.0099 -0.0052 72 LEU v O +46969 C CB . LEU HA 72 ? 1.2007 0.6968 0.7698 0.0745 -0.0087 -0.0042 72 LEU v CB +46970 C CG . LEU HA 72 ? 1.3480 0.8522 0.9248 0.0692 -0.0087 -0.0026 72 LEU v CG +46971 C CD1 . LEU HA 72 ? 1.1076 0.6139 0.6883 0.0608 -0.0081 -0.0036 72 LEU v CD1 +46972 C CD2 . LEU HA 72 ? 1.0956 0.6157 0.6828 0.0727 -0.0095 -0.0017 72 LEU v CD2 +46973 N N . VAL HA 73 ? 1.3031 0.7811 0.8546 0.0893 -0.0090 -0.0062 73 VAL v N +46974 C CA . VAL HA 73 ? 1.2870 0.7633 0.8352 0.0950 -0.0091 -0.0078 73 VAL v CA +46975 C C . VAL HA 73 ? 1.1742 0.6530 0.7219 0.1039 -0.0097 -0.0070 73 VAL v C +46976 O O . VAL HA 73 ? 1.2599 0.7473 0.8122 0.1087 -0.0099 -0.0078 73 VAL v O +46977 C CB . VAL HA 73 ? 1.3616 0.8211 0.8979 0.0938 -0.0085 -0.0093 73 VAL v CB +46978 C CG1 . VAL HA 73 ? 1.1254 0.5815 0.6568 0.1009 -0.0085 -0.0108 73 VAL v CG1 +46979 C CG2 . VAL HA 73 ? 1.2289 0.6878 0.7669 0.0853 -0.0080 -0.0105 73 VAL v CG2 +46980 N N . ASP HA 74 ? 1.2141 0.6856 0.7563 0.1061 -0.0100 -0.0054 74 ASP v N +46981 C CA . ASP HA 74 ? 1.2397 0.7142 0.7819 0.1144 -0.0109 -0.0045 74 ASP v CA +46982 C C . ASP HA 74 ? 1.3856 0.8787 0.9409 0.1156 -0.0115 -0.0038 74 ASP v C +46983 O O . ASP HA 74 ? 1.1937 0.6939 0.7523 0.1222 -0.0120 -0.0042 74 ASP v O +46984 C CB . ASP HA 74 ? 1.3073 0.7706 0.8413 0.1158 -0.0112 -0.0027 74 ASP v CB +46985 C CG . ASP HA 74 ? 1.3495 0.8156 0.8832 0.1244 -0.0124 -0.0018 74 ASP v CG +46986 O OD1 . ASP HA 74 ? 1.6107 1.0702 1.1379 0.1309 -0.0125 -0.0027 74 ASP v OD1 +46987 O OD2 . ASP HA 74 ? 1.3924 0.8678 0.9328 0.1249 -0.0131 -0.0003 74 ASP v OD2 +46988 N N . TYR HA 75 ? 1.1645 0.6655 0.7273 0.1094 -0.0115 -0.0028 75 TYR v N +46989 C CA . TYR HA 75 ? 1.1651 0.6838 0.7407 0.1097 -0.0120 -0.0023 75 TYR v CA +46990 C C . TYR HA 75 ? 1.0882 0.6161 0.6696 0.1113 -0.0117 -0.0040 75 TYR v C +46991 O O . TYR HA 75 ? 1.0922 0.6306 0.6798 0.1165 -0.0121 -0.0040 75 TYR v O +46992 C CB . TYR HA 75 ? 1.1469 0.6717 0.7292 0.1020 -0.0118 -0.0013 75 TYR v CB +46993 C CG . TYR HA 75 ? 1.1938 0.7355 0.7881 0.1030 -0.0125 -0.0004 75 TYR v CG +46994 C CD1 . TYR HA 75 ? 1.1207 0.6755 0.7246 0.1019 -0.0123 -0.0014 75 TYR v CD1 +46995 C CD2 . TYR HA 75 ? 1.1326 0.6769 0.7284 0.1051 -0.0134 0.0013 75 TYR v CD2 +46996 C CE1 . TYR HA 75 ? 0.9829 0.5526 0.5974 0.1028 -0.0129 -0.0006 75 TYR v CE1 +46997 C CE2 . TYR HA 75 ? 1.1101 0.6696 0.7167 0.1060 -0.0141 0.0021 75 TYR v CE2 +46998 C CZ . TYR HA 75 ? 1.1686 0.7408 0.7847 0.1047 -0.0138 0.0011 75 TYR v CZ +46999 O OH . TYR HA 75 ? 1.0668 0.6538 0.6935 0.1055 -0.0144 0.0017 75 TYR v OH +47000 N N . MET HA 76 ? 1.1029 0.6268 0.6823 0.1069 -0.0109 -0.0055 76 MET v N +47001 C CA . MET HA 76 ? 1.2175 0.7488 0.8013 0.1083 -0.0105 -0.0072 76 MET v CA +47002 C C . MET HA 76 ? 1.2915 0.8190 0.8701 0.1165 -0.0105 -0.0082 76 MET v C +47003 O O . MET HA 76 ? 1.1911 0.7272 0.7747 0.1193 -0.0101 -0.0093 76 MET v O +47004 C CB . MET HA 76 ? 1.1999 0.7262 0.7813 0.1019 -0.0098 -0.0087 76 MET v CB +47005 C CG . MET HA 76 ? 1.1040 0.6413 0.6952 0.0950 -0.0098 -0.0084 76 MET v CG +47006 S SD . MET HA 76 ? 1.1960 0.7255 0.7834 0.0867 -0.0093 -0.0099 76 MET v SD +47007 C CE . MET HA 76 ? 1.2473 0.7689 0.8315 0.0811 -0.0093 -0.0083 76 MET v CE +47008 N N . LYS HA 77 ? 1.1950 0.7098 0.7636 0.1206 -0.0108 -0.0078 77 LYS v N +47009 C CA . LYS HA 77 ? 1.2589 0.7705 0.8228 0.1290 -0.0108 -0.0086 77 LYS v CA +47010 C C . LYS HA 77 ? 1.2338 0.7544 0.8029 0.1352 -0.0117 -0.0074 77 LYS v C +47011 O O . LYS HA 77 ? 1.2017 0.7295 0.7743 0.1411 -0.0117 -0.0082 77 LYS v O +47012 C CB . LYS HA 77 ? 1.3603 0.8531 0.9102 0.1308 -0.0107 -0.0089 77 LYS v CB +47013 C CG . LYS HA 77 ? 1.3812 0.8643 0.9248 0.1264 -0.0098 -0.0107 77 LYS v CG +47014 C CD . LYS HA 77 ? 1.4389 0.9032 0.9691 0.1268 -0.0097 -0.0107 77 LYS v CD +47015 C CE . LYS HA 77 ? 1.4833 0.9380 1.0072 0.1228 -0.0089 -0.0126 77 LYS v CE +47016 N NZ . LYS HA 77 ? 1.5331 0.9686 1.0433 0.1229 -0.0087 -0.0127 77 LYS v NZ +47017 N N . ASN HA 78 ? 1.0659 0.5859 0.6354 0.1340 -0.0126 -0.0055 78 ASN v N +47018 C CA . ASN HA 78 ? 1.2709 0.7975 0.8439 0.1400 -0.0137 -0.0043 78 ASN v CA +47019 C C . ASN HA 78 ? 1.3098 0.8440 0.8898 0.1355 -0.0143 -0.0025 78 ASN v C +47020 O O . ASN HA 78 ? 1.2616 0.7882 0.8364 0.1351 -0.0150 -0.0011 78 ASN v O +47021 C CB . ASN HA 78 ? 1.1963 0.7089 0.7578 0.1460 -0.0143 -0.0040 78 ASN v CB +47022 C CG . ASN HA 78 ? 1.3443 0.8637 0.9091 0.1531 -0.0157 -0.0030 78 ASN v CG +47023 O OD1 . ASN HA 78 ? 1.3270 0.8592 0.9000 0.1570 -0.0159 -0.0037 78 ASN v OD1 +47024 N ND2 . ASN HA 78 ? 1.2826 0.7932 0.8407 0.1548 -0.0167 -0.0015 78 ASN v ND2 +47025 N N . PRO HA 79 ? 1.2489 0.7978 0.8404 0.1321 -0.0142 -0.0026 79 PRO v N +47026 C CA . PRO HA 79 ? 1.3068 0.8627 0.9049 0.1271 -0.0146 -0.0010 79 PRO v CA +47027 C C . PRO HA 79 ? 1.0983 0.6585 0.6985 0.1319 -0.0160 0.0005 79 PRO v C +47028 O O . PRO HA 79 ? 1.0757 0.6416 0.6783 0.1387 -0.0167 0.0001 79 PRO v O +47029 C CB . PRO HA 79 ? 1.1082 0.6792 0.7181 0.1235 -0.0141 -0.0016 79 PRO v CB +47030 C CG . PRO HA 79 ? 1.1609 0.7368 0.7725 0.1296 -0.0138 -0.0031 79 PRO v CG +47031 C CD . PRO HA 79 ? 1.1916 0.7516 0.7906 0.1329 -0.0135 -0.0040 79 PRO v CD +47032 N N . THR HA 80 ? 1.0723 0.6300 0.6718 0.1281 -0.0165 0.0021 80 THR v N +47033 C CA . THR HA 80 ? 1.1156 0.6766 0.7166 0.1316 -0.0179 0.0036 80 THR v CA +47034 C C . THR HA 80 ? 1.2162 0.7879 0.8265 0.1260 -0.0181 0.0048 80 THR v C +47035 O O . THR HA 80 ? 1.0910 0.6644 0.7044 0.1190 -0.0171 0.0046 80 THR v O +47036 C CB . THR HA 80 ? 1.1881 0.7331 0.7769 0.1332 -0.0183 0.0047 80 THR v CB +47037 O OG1 . THR HA 80 ? 1.1443 0.6810 0.7290 0.1256 -0.0173 0.0052 80 THR v OG1 +47038 C CG2 . THR HA 80 ? 1.1680 0.7014 0.7468 0.1393 -0.0182 0.0037 80 THR v CG2 +47039 N N . THR HA 81 ? 1.0295 0.6080 0.6439 0.1292 -0.0195 0.0059 81 THR v N +47040 C CA . THR HA 81 ? 1.1352 0.7208 0.7560 0.1242 -0.0198 0.0073 81 THR v CA +47041 C C . THR HA 81 ? 1.0620 0.6350 0.6748 0.1190 -0.0192 0.0084 81 THR v C +47042 O O . THR HA 81 ? 1.1407 0.6992 0.7426 0.1200 -0.0187 0.0083 81 THR v O +47043 C CB . THR HA 81 ? 1.0529 0.6470 0.6786 0.1291 -0.0215 0.0082 81 THR v CB +47044 O OG1 . THR HA 81 ? 1.1227 0.7064 0.7389 0.1352 -0.0226 0.0087 81 THR v OG1 +47045 C CG2 . THR HA 81 ? 1.0309 0.6400 0.6668 0.1326 -0.0219 0.0071 81 THR v CG2 +47046 N N . TYR HA 82 ? 1.1483 0.7271 0.7667 0.1135 -0.0191 0.0094 82 TYR v N +47047 C CA . TYR HA 82 ? 1.0421 0.6109 0.6547 0.1074 -0.0182 0.0104 82 TYR v CA +47048 C C . TYR HA 82 ? 1.2757 0.8315 0.8775 0.1106 -0.0187 0.0117 82 TYR v C +47049 O O . TYR HA 82 ? 1.0925 0.6356 0.6860 0.1069 -0.0177 0.0121 82 TYR v O +47050 C CB . TYR HA 82 ? 1.0159 0.5953 0.6377 0.1016 -0.0181 0.0112 82 TYR v CB +47051 C CG . TYR HA 82 ? 0.9497 0.5220 0.5684 0.0940 -0.0167 0.0118 82 TYR v CG +47052 C CD1 . TYR HA 82 ? 1.0118 0.5801 0.6292 0.0889 -0.0153 0.0107 82 TYR v CD1 +47053 C CD2 . TYR HA 82 ? 0.9463 0.5164 0.5635 0.0919 -0.0169 0.0135 82 TYR v CD2 +47054 C CE1 . TYR HA 82 ? 0.9967 0.5591 0.6118 0.0818 -0.0141 0.0111 82 TYR v CE1 +47055 C CE2 . TYR HA 82 ? 0.9979 0.5620 0.6126 0.0849 -0.0155 0.0140 82 TYR v CE2 +47056 C CZ . TYR HA 82 ? 0.9950 0.5553 0.6087 0.0798 -0.0141 0.0128 82 TYR v CZ +47057 O OH . TYR HA 82 ? 1.1396 0.6945 0.7513 0.0728 -0.0127 0.0133 82 TYR v OH +47058 N N . ASP HA 83 ? 1.0347 0.5933 0.6364 0.1175 -0.0204 0.0122 83 ASP v N +47059 C CA . ASP HA 83 ? 1.2455 0.7921 0.8369 0.1214 -0.0212 0.0135 83 ASP v CA +47060 C C . ASP HA 83 ? 1.2428 0.7784 0.8247 0.1275 -0.0214 0.0126 83 ASP v C +47061 O O . ASP HA 83 ? 1.2850 0.8101 0.8577 0.1317 -0.0222 0.0135 83 ASP v O +47062 C CB . ASP HA 83 ? 1.0044 0.5596 0.6006 0.1256 -0.0231 0.0146 83 ASP v CB +47063 C CG . ASP HA 83 ? 1.1584 0.7276 0.7637 0.1310 -0.0244 0.0134 83 ASP v CG +47064 O OD1 . ASP HA 83 ? 1.0942 0.6646 0.7005 0.1326 -0.0237 0.0119 83 ASP v OD1 +47065 O OD2 . ASP HA 83 ? 1.0866 0.6656 0.6981 0.1335 -0.0259 0.0141 83 ASP v OD2 +47066 N N . GLY HA 84 ? 1.1461 0.6834 0.7296 0.1280 -0.0206 0.0109 84 GLY v N +47067 C CA . GLY HA 84 ? 1.0556 0.5842 0.6313 0.1342 -0.0208 0.0099 84 GLY v CA +47068 C C . GLY HA 84 ? 1.0978 0.6331 0.6760 0.1429 -0.0226 0.0097 84 GLY v C +47069 O O . GLY HA 84 ? 1.1694 0.6985 0.7418 0.1487 -0.0228 0.0087 84 GLY v O +47070 N N . GLU HA 85 ? 1.1662 0.7143 0.7533 0.1441 -0.0239 0.0104 85 GLU v N +47071 C CA . GLU HA 85 ? 1.2655 0.8185 0.8539 0.1524 -0.0258 0.0104 85 GLU v CA +47072 C C . GLU HA 85 ? 1.2411 0.8031 0.8354 0.1571 -0.0258 0.0085 85 GLU v C +47073 O O . GLU HA 85 ? 1.2244 0.7867 0.8169 0.1648 -0.0271 0.0081 85 GLU v O +47074 C CB . GLU HA 85 ? 1.1650 0.7292 0.7614 0.1519 -0.0273 0.0116 85 GLU v CB +47075 C CG . GLU HA 85 ? 1.5172 1.0778 1.1086 0.1587 -0.0295 0.0126 85 GLU v CG +47076 C CD . GLU HA 85 ? 1.3952 0.9389 0.9739 0.1576 -0.0294 0.0141 85 GLU v CD +47077 O OE1 . GLU HA 85 ? 1.6114 1.1416 1.1804 0.1570 -0.0281 0.0137 85 GLU v OE1 +47078 O OE2 . GLU HA 85 ? 1.6435 1.1872 1.2215 0.1572 -0.0305 0.0156 85 GLU v OE2 +47079 N N . GLN HA 86 ? 1.2208 0.7906 0.8223 0.1526 -0.0244 0.0074 86 GLN v N +47080 C CA . GLN HA 86 ? 1.2027 0.7834 0.8115 0.1566 -0.0242 0.0058 86 GLN v CA +47081 C C . GLN HA 86 ? 1.2283 0.8065 0.8364 0.1530 -0.0223 0.0044 86 GLN v C +47082 O O . GLN HA 86 ? 1.1970 0.7722 0.8047 0.1457 -0.0211 0.0047 86 GLN v O +47083 C CB . GLN HA 86 ? 1.3124 0.9112 0.9348 0.1556 -0.0249 0.0060 86 GLN v CB +47084 C CG . GLN HA 86 ? 1.4846 1.0952 1.1146 0.1610 -0.0251 0.0046 86 GLN v CG +47085 C CD . GLN HA 86 ? 1.8113 1.4394 1.4547 0.1591 -0.0255 0.0047 86 GLN v CD +47086 O OE1 . GLN HA 86 ? 2.2871 1.9260 1.9385 0.1595 -0.0247 0.0035 86 GLN v OE1 +47087 N NE2 . GLN HA 86 ? 1.4582 1.0888 1.1038 0.1569 -0.0267 0.0062 86 GLN v NE2 +47088 N N . GLU HA 87 ? 1.1807 0.7598 0.7882 0.1583 -0.0220 0.0029 87 GLU v N +47089 C CA . GLU HA 87 ? 1.2881 0.8656 0.8951 0.1558 -0.0202 0.0014 87 GLU v CA +47090 C C . GLU HA 87 ? 1.1459 0.7404 0.7657 0.1543 -0.0196 0.0006 87 GLU v C +47091 O O . GLU HA 87 ? 1.1602 0.7660 0.7872 0.1590 -0.0205 0.0004 87 GLU v O +47092 C CB . GLU HA 87 ? 1.2777 0.8458 0.8761 0.1625 -0.0200 0.0001 87 GLU v CB +47093 C CG . GLU HA 87 ? 1.3747 0.9234 0.9590 0.1617 -0.0198 0.0006 87 GLU v CG +47094 C CD . GLU HA 87 ? 1.3715 0.9099 0.9463 0.1696 -0.0202 -0.0003 87 GLU v CD +47095 O OE1 . GLU HA 87 ? 1.3652 0.9115 0.9442 0.1762 -0.0206 -0.0012 87 GLU v OE1 +47096 O OE2 . GLU HA 87 ? 1.3638 0.8860 0.9268 0.1692 -0.0199 0.0000 87 GLU v OE2 +47097 N N . ILE HA 88 ? 1.0635 0.6596 0.6860 0.1477 -0.0182 0.0001 88 ILE v N +47098 C CA . ILE HA 88 ? 1.0997 0.7115 0.7344 0.1448 -0.0177 -0.0004 88 ILE v CA +47099 C C . ILE HA 88 ? 1.1214 0.7341 0.7567 0.1435 -0.0160 -0.0020 88 ILE v C +47100 O O . ILE HA 88 ? 1.0535 0.6756 0.6967 0.1389 -0.0153 -0.0023 88 ILE v O +47101 C CB . ILE HA 88 ? 1.0551 0.6710 0.6948 0.1371 -0.0177 0.0009 88 ILE v CB +47102 C CG1 . ILE HA 88 ? 1.0770 0.6810 0.7095 0.1308 -0.0168 0.0009 88 ILE v CG1 +47103 C CG2 . ILE HA 88 ? 1.0027 0.6202 0.6434 0.1386 -0.0193 0.0026 88 ILE v CG2 +47104 C CD1 . ILE HA 88 ? 1.0592 0.6662 0.6960 0.1232 -0.0167 0.0021 88 ILE v CD1 +47105 N N . ALA HA 89 ? 1.0517 0.6545 0.6785 0.1477 -0.0156 -0.0032 89 ALA v N +47106 C CA . ALA HA 89 ? 1.1347 0.7371 0.7610 0.1466 -0.0140 -0.0049 89 ALA v CA +47107 C C . ALA HA 89 ? 1.0137 0.6320 0.6508 0.1484 -0.0134 -0.0057 89 ALA v C +47108 O O . ALA HA 89 ? 1.1321 0.7543 0.7724 0.1449 -0.0121 -0.0066 89 ALA v O +47109 C CB . ALA HA 89 ? 1.0767 0.6657 0.6917 0.1518 -0.0137 -0.0060 89 ALA v CB +47110 N N . GLU HA 90 ? 1.1266 0.7543 0.7697 0.1535 -0.0142 -0.0053 90 GLU v N +47111 C CA . GLU HA 90 ? 1.1269 0.7702 0.7809 0.1551 -0.0136 -0.0059 90 GLU v CA +47112 C C . GLU HA 90 ? 1.1955 0.8492 0.8587 0.1480 -0.0131 -0.0053 90 GLU v C +47113 O O . GLU HA 90 ? 1.1055 0.7705 0.7766 0.1480 -0.0121 -0.0061 90 GLU v O +47114 C CB . GLU HA 90 ? 1.0092 0.6603 0.6677 0.1614 -0.0148 -0.0055 90 GLU v CB +47115 C CG . GLU HA 90 ? 1.3289 0.9847 0.9889 0.1685 -0.0141 -0.0070 90 GLU v CG +47116 C CD . GLU HA 90 ? 1.6662 1.3296 1.3308 0.1749 -0.0155 -0.0067 90 GLU v CD +47117 O OE1 . GLU HA 90 ? 1.5070 1.1662 1.1688 0.1756 -0.0174 -0.0055 90 GLU v OE1 +47118 O OE2 . GLU HA 90 ? 1.6186 1.2924 1.2898 0.1791 -0.0148 -0.0078 90 GLU v OE2 +47119 N N . VAL HA 91 ? 0.9943 0.6449 0.6570 0.1421 -0.0138 -0.0041 91 VAL v N +47120 C CA . VAL HA 91 ? 1.0250 0.6852 0.6963 0.1354 -0.0134 -0.0036 91 VAL v CA +47121 C C . VAL HA 91 ? 1.1199 0.7713 0.7864 0.1284 -0.0130 -0.0034 91 VAL v C +47122 O O . VAL HA 91 ? 1.0748 0.7326 0.7474 0.1224 -0.0128 -0.0029 91 VAL v O +47123 C CB . VAL HA 91 ? 1.0167 0.6865 0.6957 0.1347 -0.0146 -0.0021 91 VAL v CB +47124 C CG1 . VAL HA 91 ? 1.0522 0.7332 0.7380 0.1410 -0.0150 -0.0024 91 VAL v CG1 +47125 C CG2 . VAL HA 91 ? 0.9329 0.5929 0.6054 0.1340 -0.0160 -0.0008 91 VAL v CG2 +47126 N N . HIS HA 92 ? 1.0298 0.6669 0.6855 0.1289 -0.0128 -0.0039 92 HIS v N +47127 C CA . HIS HA 92 ? 1.0759 0.7048 0.7272 0.1221 -0.0124 -0.0039 92 HIS v CA +47128 C C . HIS HA 92 ? 1.1816 0.8004 0.8247 0.1232 -0.0115 -0.0055 92 HIS v C +47129 O O . HIS HA 92 ? 1.1423 0.7524 0.7777 0.1287 -0.0116 -0.0060 92 HIS v O +47130 C CB . HIS HA 92 ? 0.9235 0.5432 0.5693 0.1195 -0.0133 -0.0025 92 HIS v CB +47131 C CG . HIS HA 92 ? 1.0126 0.6264 0.6561 0.1118 -0.0128 -0.0025 92 HIS v CG +47132 N ND1 . HIS HA 92 ? 1.0530 0.6550 0.6880 0.1101 -0.0121 -0.0036 92 HIS v ND1 +47133 C CD2 . HIS HA 92 ? 0.9744 0.5928 0.6231 0.1054 -0.0129 -0.0016 92 HIS v CD2 +47134 C CE1 . HIS HA 92 ? 0.9568 0.5564 0.5920 0.1029 -0.0119 -0.0034 92 HIS v CE1 +47135 N NE2 . HIS HA 92 ? 1.0547 0.6641 0.6981 0.1000 -0.0123 -0.0021 92 HIS v NE2 +47136 N N . PRO HA 93 ? 1.2191 0.8381 0.8630 0.1181 -0.0106 -0.0065 93 PRO v N +47137 C CA . PRO HA 93 ? 1.1037 0.7134 0.7399 0.1190 -0.0098 -0.0081 93 PRO v CA +47138 C C . PRO HA 93 ? 1.2035 0.7966 0.8277 0.1201 -0.0101 -0.0082 93 PRO v C +47139 O O . PRO HA 93 ? 1.1160 0.7028 0.7373 0.1161 -0.0106 -0.0071 93 PRO v O +47140 C CB . PRO HA 93 ? 1.0311 0.6430 0.6702 0.1117 -0.0092 -0.0087 93 PRO v CB +47141 C CG . PRO HA 93 ? 1.0355 0.6608 0.6857 0.1082 -0.0096 -0.0074 93 PRO v CG +47142 C CD . PRO HA 93 ? 1.1317 0.7583 0.7830 0.1110 -0.0106 -0.0059 93 PRO v CD +47143 N N . SER HA 94 ? 1.1164 0.7024 0.7337 0.1257 -0.0097 -0.0094 94 SER v N +47144 C CA . SER HA 94 ? 1.2504 0.8199 0.8555 0.1273 -0.0099 -0.0096 94 SER v CA +47145 C C . SER HA 94 ? 1.2194 0.7832 0.8184 0.1320 -0.0091 -0.0115 94 SER v C +47146 O O . SER HA 94 ? 1.1927 0.7657 0.7968 0.1358 -0.0085 -0.0123 94 SER v O +47147 C CB . SER HA 94 ? 0.9895 0.5552 0.5915 0.1318 -0.0109 -0.0082 94 SER v CB +47148 O OG . SER HA 94 ? 1.1457 0.7191 0.7513 0.1393 -0.0111 -0.0084 94 SER v OG +47149 N N . LEU HA 95 ? 1.2501 0.7982 0.8378 0.1317 -0.0090 -0.0122 95 LEU v N +47150 C CA . LEU HA 95 ? 1.1902 0.7312 0.7707 0.1370 -0.0083 -0.0139 95 LEU v CA +47151 C C . LEU HA 95 ? 1.1582 0.7036 0.7399 0.1458 -0.0085 -0.0137 95 LEU v C +47152 O O . LEU HA 95 ? 1.2527 0.8019 0.8353 0.1505 -0.0077 -0.0150 95 LEU v O +47153 C CB . LEU HA 95 ? 1.1327 0.6554 0.7004 0.1357 -0.0083 -0.0144 95 LEU v CB +47154 C CG . LEU HA 95 ? 1.3168 0.8352 0.8832 0.1272 -0.0081 -0.0150 95 LEU v CG +47155 C CD1 . LEU HA 95 ? 1.2902 0.7910 0.8439 0.1265 -0.0078 -0.0162 95 LEU v CD1 +47156 C CD2 . LEU HA 95 ? 1.3742 0.9035 0.9481 0.1248 -0.0074 -0.0162 95 LEU v CD2 +47157 N N . ARG HA 96 ? 1.1252 0.6708 0.7074 0.1480 -0.0096 -0.0121 96 ARG v N +47158 C CA . ARG HA 96 ? 1.1708 0.7208 0.7544 0.1562 -0.0101 -0.0119 96 ARG v CA +47159 C C . ARG HA 96 ? 1.2501 0.8180 0.8459 0.1581 -0.0097 -0.0121 96 ARG v C +47160 O O . ARG HA 96 ? 1.3064 0.8787 0.9036 0.1652 -0.0095 -0.0128 96 ARG v O +47161 C CB . ARG HA 96 ? 1.1241 0.6711 0.7061 0.1574 -0.0116 -0.0100 96 ARG v CB +47162 C CG . ARG HA 96 ? 1.2921 0.8448 0.8765 0.1656 -0.0124 -0.0096 96 ARG v CG +47163 C CD . ARG HA 96 ? 1.3858 0.9308 0.9649 0.1669 -0.0139 -0.0079 96 ARG v CD +47164 N NE . ARG HA 96 ? 1.6432 1.1953 1.2259 0.1743 -0.0151 -0.0075 96 ARG v NE +47165 C CZ . ARG HA 96 ? 1.8221 1.3724 1.4036 0.1759 -0.0167 -0.0059 96 ARG v CZ +47166 N NH1 . ARG HA 96 ? 1.5389 1.0801 1.1151 0.1709 -0.0170 -0.0045 96 ARG v NH1 +47167 N NH2 . ARG HA 96 ? 1.8498 1.4078 1.4354 0.1828 -0.0178 -0.0057 96 ARG v NH2 +47168 N N . SER HA 97 ? 1.2155 0.7937 0.8202 0.1519 -0.0094 -0.0117 97 SER v N +47169 C CA . SER HA 97 ? 1.1242 0.7189 0.7404 0.1530 -0.0088 -0.0119 97 SER v CA +47170 C C . SER HA 97 ? 1.0941 0.6922 0.7128 0.1486 -0.0074 -0.0132 97 SER v C +47171 O O . SER HA 97 ? 1.1914 0.8025 0.8200 0.1458 -0.0070 -0.0129 97 SER v O +47172 C CB . SER HA 97 ? 1.3121 0.9180 0.9377 0.1503 -0.0098 -0.0102 97 SER v CB +47173 O OG . SER HA 97 ? 1.0778 0.6810 0.7036 0.1425 -0.0101 -0.0093 97 SER v OG +47174 N N . ALA HA 98 ? 1.1640 0.7505 0.7737 0.1481 -0.0068 -0.0146 98 ALA v N +47175 C CA . ALA HA 98 ? 1.1611 0.7499 0.7721 0.1447 -0.0056 -0.0160 98 ALA v CA +47176 C C . ALA HA 98 ? 1.2608 0.8603 0.8775 0.1495 -0.0043 -0.0170 98 ALA v C +47177 O O . ALA HA 98 ? 1.1239 0.7289 0.7443 0.1465 -0.0032 -0.0178 98 ALA v O +47178 C CB . ALA HA 98 ? 1.1369 0.7101 0.7363 0.1434 -0.0053 -0.0173 98 ALA v CB +47179 N N . ASP HA 99 ? 1.1373 0.7403 0.7552 0.1568 -0.0043 -0.0170 99 ASP v N +47180 C CA . ASP HA 99 ? 1.0713 0.6860 0.6959 0.1610 -0.0029 -0.0179 99 ASP v CA +47181 C C . ASP HA 99 ? 1.1596 0.7903 0.7968 0.1574 -0.0027 -0.0169 99 ASP v C +47182 O O . ASP HA 99 ? 1.4044 1.0436 1.0470 0.1567 -0.0013 -0.0176 99 ASP v O +47183 C CB . ASP HA 99 ? 1.0412 0.6561 0.6644 0.1697 -0.0030 -0.0181 99 ASP v CB +47184 C CG . ASP HA 99 ? 1.3892 1.0077 1.0160 0.1714 -0.0047 -0.0165 99 ASP v CG +47185 O OD1 . ASP HA 99 ? 1.4595 1.0721 1.0838 0.1670 -0.0060 -0.0152 99 ASP v OD1 +47186 O OD2 . ASP HA 99 ? 1.4559 1.0833 1.0881 0.1772 -0.0047 -0.0165 99 ASP v OD2 +47187 N N . ILE HA 100 ? 1.2089 0.8434 0.8507 0.1549 -0.0041 -0.0152 100 ILE v N +47188 C CA . ILE HA 100 ? 1.0480 0.6973 0.7016 0.1514 -0.0041 -0.0142 100 ILE v CA +47189 C C . ILE HA 100 ? 1.0028 0.6518 0.6580 0.1429 -0.0044 -0.0136 100 ILE v C +47190 O O . ILE HA 100 ? 1.1472 0.8079 0.8117 0.1395 -0.0040 -0.0130 100 ILE v O +47191 C CB . ILE HA 100 ? 1.1932 0.8492 0.8523 0.1541 -0.0054 -0.0128 100 ILE v CB +47192 C CG1 . ILE HA 100 ? 1.1485 0.7928 0.8002 0.1531 -0.0071 -0.0117 100 ILE v CG1 +47193 C CG2 . ILE HA 100 ? 1.1218 0.7837 0.7833 0.1621 -0.0050 -0.0135 100 ILE v CG2 +47194 C CD1 . ILE HA 100 ? 1.1137 0.7634 0.7699 0.1554 -0.0086 -0.0103 100 ILE v CD1 +47195 N N . PHE HA 101 ? 1.0532 0.6892 0.6998 0.1394 -0.0050 -0.0137 101 PHE v N +47196 C CA . PHE HA 101 ? 1.0569 0.6913 0.7041 0.1315 -0.0052 -0.0134 101 PHE v CA +47197 C C . PHE HA 101 ? 1.1344 0.7594 0.7738 0.1304 -0.0043 -0.0151 101 PHE v C +47198 O O . PHE HA 101 ? 1.1122 0.7239 0.7425 0.1288 -0.0049 -0.0155 101 PHE v O +47199 C CB . PHE HA 101 ? 1.0336 0.6614 0.6781 0.1276 -0.0066 -0.0120 101 PHE v CB +47200 C CG . PHE HA 101 ? 1.2153 0.8524 0.8675 0.1281 -0.0075 -0.0103 101 PHE v CG +47201 C CD1 . PHE HA 101 ? 1.1512 0.7998 0.8131 0.1233 -0.0076 -0.0094 101 PHE v CD1 +47202 C CD2 . PHE HA 101 ? 1.0847 0.7189 0.7343 0.1334 -0.0084 -0.0096 101 PHE v CD2 +47203 C CE1 . PHE HA 101 ? 1.0083 0.6652 0.6770 0.1237 -0.0085 -0.0080 101 PHE v CE1 +47204 C CE2 . PHE HA 101 ? 1.1841 0.8267 0.8405 0.1339 -0.0094 -0.0081 101 PHE v CE2 +47205 C CZ . PHE HA 101 ? 1.1663 0.8202 0.8323 0.1290 -0.0094 -0.0073 101 PHE v CZ +47206 N N . PRO HA 102 ? 1.2697 0.9010 0.9122 0.1311 -0.0030 -0.0163 102 PRO v N +47207 C CA . PRO HA 102 ? 1.1009 0.7229 0.7352 0.1314 -0.0022 -0.0181 102 PRO v CA +47208 C C . PRO HA 102 ? 1.1730 0.7861 0.8022 0.1246 -0.0029 -0.0185 102 PRO v C +47209 O O . PRO HA 102 ? 1.1814 0.7836 0.8019 0.1249 -0.0026 -0.0199 102 PRO v O +47210 C CB . PRO HA 102 ? 1.0861 0.7191 0.7266 0.1326 -0.0006 -0.0189 102 PRO v CB +47211 C CG . PRO HA 102 ? 1.2242 0.8702 0.8742 0.1361 -0.0004 -0.0178 102 PRO v CG +47212 C CD . PRO HA 102 ? 1.1616 0.8083 0.8145 0.1325 -0.0021 -0.0160 102 PRO v CD +47213 N N . LYS HA 103 ? 1.0642 0.6811 0.6984 0.1184 -0.0038 -0.0172 103 LYS v N +47214 C CA . LYS HA 103 ? 1.0561 0.6649 0.6858 0.1119 -0.0044 -0.0178 103 LYS v CA +47215 C C . LYS HA 103 ? 1.1640 0.7575 0.7835 0.1120 -0.0051 -0.0179 103 LYS v C +47216 O O . LYS HA 103 ? 1.2789 0.8635 0.8927 0.1074 -0.0054 -0.0188 103 LYS v O +47217 C CB . LYS HA 103 ? 1.0971 0.7140 0.7349 0.1053 -0.0051 -0.0165 103 LYS v CB +47218 C CG . LYS HA 103 ? 1.3214 0.9523 0.9687 0.1043 -0.0044 -0.0164 103 LYS v CG +47219 C CD . LYS HA 103 ? 1.2318 0.8668 0.8839 0.0968 -0.0051 -0.0160 103 LYS v CD +47220 C CE . LYS HA 103 ? 1.1043 0.7458 0.7633 0.0943 -0.0059 -0.0141 103 LYS v CE +47221 N NZ . LYS HA 103 ? 1.0463 0.6901 0.7089 0.0869 -0.0066 -0.0138 103 LYS v NZ +47222 N N . MET HA 104 ? 1.1574 0.7478 0.7744 0.1169 -0.0054 -0.0170 104 MET v N +47223 C CA . MET HA 104 ? 1.2533 0.8288 0.8601 0.1173 -0.0060 -0.0170 104 MET v CA +47224 C C . MET HA 104 ? 1.2331 0.7976 0.8300 0.1217 -0.0053 -0.0188 104 MET v C +47225 O O . MET HA 104 ? 1.2776 0.8281 0.8649 0.1212 -0.0057 -0.0192 104 MET v O +47226 C CB . MET HA 104 ? 1.1257 0.7016 0.7333 0.1209 -0.0067 -0.0153 104 MET v CB +47227 C CG . MET HA 104 ? 1.0798 0.6662 0.6969 0.1168 -0.0074 -0.0135 104 MET v CG +47228 S SD . MET HA 104 ? 1.1904 0.7703 0.8056 0.1075 -0.0080 -0.0130 104 MET v SD +47229 C CE . MET HA 104 ? 1.1011 0.6641 0.7045 0.1091 -0.0085 -0.0125 104 MET v CE +47230 N N . ARG HA 105 ? 1.2475 0.8177 0.8463 0.1260 -0.0043 -0.0200 105 ARG v N +47231 C CA . ARG HA 105 ? 1.3501 0.9109 0.9400 0.1311 -0.0036 -0.0217 105 ARG v CA +47232 C C . ARG HA 105 ? 1.3390 0.8866 0.9197 0.1268 -0.0037 -0.0231 105 ARG v C +47233 O O . ARG HA 105 ? 1.5469 1.0808 1.1175 0.1289 -0.0039 -0.0237 105 ARG v O +47234 C CB . ARG HA 105 ? 1.0874 0.6581 0.6821 0.1352 -0.0022 -0.0227 105 ARG v CB +47235 C CG . ARG HA 105 ? 1.1133 0.6961 0.7162 0.1402 -0.0019 -0.0215 105 ARG v CG +47236 C CD . ARG HA 105 ? 1.1758 0.7681 0.7833 0.1441 -0.0004 -0.0226 105 ARG v CD +47237 N NE . ARG HA 105 ? 1.2565 0.8613 0.8728 0.1483 -0.0002 -0.0215 105 ARG v NE +47238 C CZ . ARG HA 105 ? 1.4692 1.0861 1.0929 0.1506 0.0012 -0.0219 105 ARG v CZ +47239 N NH1 . ARG HA 105 ? 1.5276 1.1456 1.1506 0.1496 0.0026 -0.0232 105 ARG v NH1 +47240 N NH2 . ARG HA 105 ? 1.3527 0.9808 0.9846 0.1540 0.0012 -0.0209 105 ARG v NH2 +47241 N N . ASN HA 106 ? 1.4581 1.0095 1.0422 0.1208 -0.0038 -0.0237 106 ASN v N +47242 C CA . ASN HA 106 ? 1.8482 1.3882 1.4242 0.1168 -0.0040 -0.0253 106 ASN v CA +47243 C C . ASN HA 106 ? 1.6408 1.1710 1.2124 0.1113 -0.0050 -0.0247 106 ASN v C +47244 O O . ASN HA 106 ? 1.8491 1.3711 1.4154 0.1066 -0.0054 -0.0260 106 ASN v O +47245 C CB . ASN HA 106 ? 1.9579 1.5059 1.5392 0.1125 -0.0037 -0.0263 106 ASN v CB +47246 C CG . ASN HA 106 ? 1.8668 1.4298 1.4602 0.1094 -0.0040 -0.0247 106 ASN v CG +47247 O OD1 . ASN HA 106 ? 1.8567 1.4227 1.4540 0.1088 -0.0045 -0.0229 106 ASN v OD1 +47248 N ND2 . ASN HA 106 ? 1.8122 1.3843 1.4112 0.1076 -0.0035 -0.0253 106 ASN v ND2 +47249 N N . LEU HA 107 ? 1.5557 1.0863 1.1290 0.1119 -0.0055 -0.0229 107 LEU v N +47250 C CA . LEU HA 107 ? 1.4219 0.9439 0.9914 0.1067 -0.0063 -0.0220 107 LEU v CA +47251 C C . LEU HA 107 ? 1.4947 1.0009 1.0524 0.1103 -0.0063 -0.0223 107 LEU v C +47252 O O . LEU HA 107 ? 1.3726 0.8780 0.9283 0.1172 -0.0061 -0.0218 107 LEU v O +47253 C CB . LEU HA 107 ? 1.3621 0.8933 0.9400 0.1049 -0.0069 -0.0198 107 LEU v CB +47254 C CG . LEU HA 107 ? 1.3915 0.9370 0.9807 0.1000 -0.0070 -0.0193 107 LEU v CG +47255 C CD1 . LEU HA 107 ? 1.3898 0.9412 0.9853 0.0977 -0.0076 -0.0171 107 LEU v CD1 +47256 C CD2 . LEU HA 107 ? 1.4146 0.9569 1.0025 0.0931 -0.0073 -0.0206 107 LEU v CD2 +47257 N N . THR HA 108 ? 1.3011 0.7949 0.8512 0.1055 -0.0066 -0.0232 108 THR v N +47258 C CA . THR HA 108 ? 1.3372 0.8145 0.8754 0.1078 -0.0066 -0.0235 108 THR v CA +47259 C C . THR HA 108 ? 1.4919 0.9640 1.0288 0.1037 -0.0071 -0.0218 108 THR v C +47260 O O . THR HA 108 ? 1.3365 0.8170 0.8813 0.0985 -0.0074 -0.0206 108 THR v O +47261 C CB . THR HA 108 ? 1.5592 1.0248 1.0886 0.1054 -0.0065 -0.0258 108 THR v CB +47262 O OG1 . THR HA 108 ? 1.5606 1.0227 1.0901 0.0969 -0.0069 -0.0260 108 THR v OG1 +47263 C CG2 . THR HA 108 ? 1.5738 1.0469 1.1065 0.1070 -0.0060 -0.0275 108 THR v CG2 +47264 N N . GLU HA 109 ? 1.6285 1.0860 1.1548 0.1062 -0.0070 -0.0216 109 GLU v N +47265 C CA . GLU HA 109 ? 1.4101 0.8608 0.9336 0.1026 -0.0073 -0.0200 109 GLU v CA +47266 C C . GLU HA 109 ? 1.3528 0.8023 0.8780 0.0932 -0.0074 -0.0204 109 GLU v C +47267 O O . GLU HA 109 ? 1.4403 0.8933 0.9701 0.0888 -0.0076 -0.0188 109 GLU v O +47268 C CB . GLU HA 109 ? 1.5682 1.0015 1.0786 0.1065 -0.0071 -0.0201 109 GLU v CB +47269 C CG . GLU HA 109 ? 1.5920 1.0155 1.0974 0.1024 -0.0072 -0.0187 109 GLU v CG +47270 C CD . GLU HA 109 ? 1.8803 1.3010 1.3827 0.1084 -0.0074 -0.0168 109 GLU v CD +47271 O OE1 . GLU HA 109 ? 1.7429 1.1695 1.2474 0.1159 -0.0076 -0.0167 109 GLU v OE1 +47272 O OE2 . GLU HA 109 ? 1.5915 1.0043 1.0897 0.1057 -0.0074 -0.0154 109 GLU v OE2 +47273 N N . LYS HA 110 ? 1.2797 0.7245 0.8016 0.0900 -0.0073 -0.0225 110 LYS v N +47274 C CA . LYS HA 110 ? 1.3952 0.8392 0.9190 0.0811 -0.0075 -0.0231 110 LYS v CA +47275 C C . LYS HA 110 ? 1.4972 0.9581 1.0341 0.0774 -0.0079 -0.0224 110 LYS v C +47276 O O . LYS HA 110 ? 1.2711 0.7338 0.8117 0.0704 -0.0081 -0.0219 110 LYS v O +47277 C CB . LYS HA 110 ? 1.6038 1.0392 1.1211 0.0788 -0.0076 -0.0257 110 LYS v CB +47278 C CG . LYS HA 110 ? 1.8413 1.2877 1.3650 0.0790 -0.0078 -0.0272 110 LYS v CG +47279 C CD . LYS HA 110 ? 1.9886 1.4266 1.5063 0.0751 -0.0081 -0.0298 110 LYS v CD +47280 C CE . LYS HA 110 ? 1.6545 1.1045 1.1798 0.0735 -0.0085 -0.0310 110 LYS v CE +47281 N NZ . LYS HA 110 ? 2.2234 1.6664 1.7442 0.0681 -0.0091 -0.0335 110 LYS v NZ +47282 N N . ASP HA 111 ? 1.3233 0.7966 0.8672 0.0819 -0.0079 -0.0223 111 ASP v N +47283 C CA . ASP HA 111 ? 1.3607 0.8503 0.9171 0.0790 -0.0082 -0.0214 111 ASP v CA +47284 C C . ASP HA 111 ? 1.3771 0.8715 0.9383 0.0784 -0.0083 -0.0190 111 ASP v C +47285 O O . ASP HA 111 ? 1.2439 0.7452 0.8121 0.0725 -0.0086 -0.0182 111 ASP v O +47286 C CB . ASP HA 111 ? 1.2149 0.7158 0.7769 0.0844 -0.0080 -0.0218 111 ASP v CB +47287 C CG . ASP HA 111 ? 1.4551 0.9527 1.0131 0.0847 -0.0078 -0.0242 111 ASP v CG +47288 O OD1 . ASP HA 111 ? 1.3169 0.8101 0.8729 0.0786 -0.0082 -0.0256 111 ASP v OD1 +47289 O OD2 . ASP HA 111 ? 1.3503 0.8498 0.9072 0.0911 -0.0073 -0.0249 111 ASP v OD2 +47290 N N . LEU HA 112 ? 1.2245 0.7153 0.7821 0.0844 -0.0081 -0.0178 112 LEU v N +47291 C CA . LEU HA 112 ? 1.2679 0.7621 0.8290 0.0843 -0.0083 -0.0155 112 LEU v CA +47292 C C . LEU HA 112 ? 1.1936 0.6792 0.7511 0.0775 -0.0083 -0.0149 112 LEU v C +47293 O O . LEU HA 112 ? 1.4153 0.9074 0.9791 0.0737 -0.0084 -0.0134 112 LEU v O +47294 C CB . LEU HA 112 ? 1.1551 0.6449 0.7113 0.0923 -0.0083 -0.0145 112 LEU v CB +47295 C CG . LEU HA 112 ? 1.3184 0.8150 0.8768 0.0999 -0.0083 -0.0151 112 LEU v CG +47296 C CD1 . LEU HA 112 ? 1.4246 0.9177 0.9791 0.1071 -0.0085 -0.0139 112 LEU v CD1 +47297 C CD2 . LEU HA 112 ? 1.3097 0.8240 0.8807 0.0992 -0.0084 -0.0148 112 LEU v CD2 +47298 N N . VAL HA 113 ? 1.2597 0.7304 0.8069 0.0758 -0.0080 -0.0161 113 VAL v N +47299 C CA . VAL HA 113 ? 1.2575 0.7198 0.8012 0.0688 -0.0077 -0.0158 113 VAL v CA +47300 C C . VAL HA 113 ? 1.3209 0.7930 0.8736 0.0612 -0.0079 -0.0163 113 VAL v C +47301 O O . VAL HA 113 ? 1.1560 0.6299 0.7122 0.0559 -0.0078 -0.0152 113 VAL v O +47302 C CB . VAL HA 113 ? 1.4161 0.8608 0.9472 0.0682 -0.0073 -0.0173 113 VAL v CB +47303 C CG1 . VAL HA 113 ? 1.2469 0.6834 0.7749 0.0601 -0.0069 -0.0172 113 VAL v CG1 +47304 C CG2 . VAL HA 113 ? 1.1654 0.5998 0.6873 0.0757 -0.0071 -0.0166 113 VAL v CG2 +47305 N N . ALA HA 114 ? 1.1463 0.6253 0.7032 0.0609 -0.0083 -0.0180 114 ALA v N +47306 C CA . ALA HA 114 ? 1.3756 0.8642 0.9409 0.0542 -0.0087 -0.0186 114 ALA v CA +47307 C C . ALA HA 114 ? 1.4624 0.9657 1.0390 0.0536 -0.0089 -0.0166 114 ALA v C +47308 O O . ALA HA 114 ? 1.2212 0.7283 0.8028 0.0475 -0.0089 -0.0160 114 ALA v O +47309 C CB . ALA HA 114 ? 1.0663 0.5587 0.6329 0.0549 -0.0091 -0.0207 114 ALA v CB +47310 N N . ILE HA 115 ? 1.1364 0.6481 0.7171 0.0600 -0.0089 -0.0157 115 ILE v N +47311 C CA . ILE HA 115 ? 1.1883 0.7134 0.7791 0.0600 -0.0091 -0.0139 115 ILE v CA +47312 C C . ILE HA 115 ? 1.2231 0.7440 0.8126 0.0577 -0.0089 -0.0120 115 ILE v C +47313 O O . ILE HA 115 ? 1.2423 0.7712 0.8392 0.0533 -0.0090 -0.0110 115 ILE v O +47314 C CB . ILE HA 115 ? 1.2786 0.8113 0.8724 0.0678 -0.0092 -0.0133 115 ILE v CB +47315 C CG1 . ILE HA 115 ? 1.1598 0.6982 0.7560 0.0695 -0.0092 -0.0151 115 ILE v CG1 +47316 C CG2 . ILE HA 115 ? 1.2437 0.7888 0.8470 0.0681 -0.0094 -0.0113 115 ILE v CG2 +47317 C CD1 . ILE HA 115 ? 1.0751 0.6207 0.6741 0.0771 -0.0090 -0.0147 115 ILE v CD1 +47318 N N . ALA HA 116 ? 1.3493 0.8573 0.9290 0.0607 -0.0086 -0.0116 116 ALA v N +47319 C CA . ALA HA 116 ? 1.2173 0.7205 0.7948 0.0591 -0.0083 -0.0097 116 ALA v CA +47320 C C . ALA HA 116 ? 1.1481 0.6478 0.7259 0.0506 -0.0078 -0.0099 116 ALA v C +47321 O O . ALA HA 116 ? 1.1237 0.6275 0.7058 0.0473 -0.0077 -0.0084 116 ALA v O +47322 C CB . ALA HA 116 ? 1.3145 0.8033 0.8804 0.0641 -0.0080 -0.0094 116 ALA v CB +47323 N N . GLY HA 117 ? 1.1152 0.6075 0.6884 0.0469 -0.0077 -0.0119 117 GLY v N +47324 C CA . GLY HA 117 ? 1.0994 0.5883 0.6729 0.0387 -0.0073 -0.0123 117 GLY v CA +47325 C C . GLY HA 117 ? 1.1949 0.6983 0.7802 0.0339 -0.0077 -0.0122 117 GLY v C +47326 O O . GLY HA 117 ? 1.1598 0.6645 0.7482 0.0281 -0.0073 -0.0116 117 GLY v O +47327 N N . HIS HA 118 ? 1.1971 0.7118 0.7891 0.0363 -0.0084 -0.0129 118 HIS v N +47328 C CA . HIS HA 118 ? 1.1105 0.6395 0.7139 0.0324 -0.0089 -0.0127 118 HIS v CA +47329 C C . HIS HA 118 ? 1.1377 0.6735 0.7466 0.0327 -0.0086 -0.0103 118 HIS v C +47330 O O . HIS HA 118 ? 1.0986 0.6387 0.7127 0.0271 -0.0085 -0.0098 118 HIS v O +47331 C CB . HIS HA 118 ? 1.0867 0.6259 0.6955 0.0358 -0.0096 -0.0136 118 HIS v CB +47332 C CG . HIS HA 118 ? 1.3206 0.8748 0.9411 0.0329 -0.0100 -0.0132 118 HIS v CG +47333 N ND1 . HIS HA 118 ? 1.2336 0.7909 0.8584 0.0258 -0.0103 -0.0139 118 HIS v ND1 +47334 C CD2 . HIS HA 118 ? 1.2166 0.7835 0.8452 0.0360 -0.0102 -0.0120 118 HIS v CD2 +47335 C CE1 . HIS HA 118 ? 1.2009 0.7719 0.8358 0.0249 -0.0107 -0.0132 118 HIS v CE1 +47336 N NE2 . HIS HA 118 ? 1.2678 0.8447 0.9051 0.0309 -0.0106 -0.0121 118 HIS v NE2 +47337 N N . ILE HA 119 ? 1.1303 0.6667 0.7378 0.0393 -0.0086 -0.0090 119 ILE v N +47338 C CA . ILE HA 119 ? 1.0954 0.6382 0.7078 0.0403 -0.0086 -0.0068 119 ILE v CA +47339 C C . ILE HA 119 ? 1.1596 0.6945 0.7682 0.0356 -0.0078 -0.0058 119 ILE v C +47340 O O . ILE HA 119 ? 1.1597 0.7015 0.7745 0.0329 -0.0077 -0.0044 119 ILE v O +47341 C CB . ILE HA 119 ? 1.2067 0.7493 0.8165 0.0485 -0.0088 -0.0058 119 ILE v CB +47342 C CG1 . ILE HA 119 ? 1.1423 0.6957 0.7581 0.0529 -0.0094 -0.0065 119 ILE v CG1 +47343 C CG2 . ILE HA 119 ? 1.0888 0.6344 0.7011 0.0495 -0.0088 -0.0035 119 ILE v CG2 +47344 C CD1 . ILE HA 119 ? 1.0273 0.5812 0.6410 0.0613 -0.0096 -0.0058 119 ILE v CD1 +47345 N N . LEU HA 120 ? 1.0814 0.6018 0.6801 0.0342 -0.0072 -0.0065 120 LEU v N +47346 C CA . LEU HA 120 ? 1.0988 0.6105 0.6931 0.0297 -0.0063 -0.0055 120 LEU v CA +47347 C C . LEU HA 120 ? 1.1599 0.6724 0.7574 0.0213 -0.0058 -0.0066 120 LEU v C +47348 O O . LEU HA 120 ? 1.1925 0.7028 0.7902 0.0167 -0.0050 -0.0056 120 LEU v O +47349 C CB . LEU HA 120 ? 1.2438 0.7387 0.8252 0.0325 -0.0057 -0.0056 120 LEU v CB +47350 C CG . LEU HA 120 ? 1.3540 0.8471 0.9315 0.0409 -0.0061 -0.0043 120 LEU v CG +47351 C CD1 . LEU HA 120 ? 1.2883 0.7653 0.8531 0.0445 -0.0058 -0.0048 120 LEU v CD1 +47352 C CD2 . LEU HA 120 ? 1.1623 0.6585 0.7421 0.0414 -0.0059 -0.0019 120 LEU v CD2 +47353 N N . VAL HA 121 ? 1.0683 0.5839 0.6683 0.0192 -0.0064 -0.0087 121 VAL v N +47354 C CA . VAL HA 121 ? 1.2640 0.7809 0.8675 0.0113 -0.0063 -0.0099 121 VAL v CA +47355 C C . VAL HA 121 ? 1.2052 0.7377 0.8208 0.0084 -0.0067 -0.0094 121 VAL v C +47356 O O . VAL HA 121 ? 1.1142 0.6487 0.7336 0.0022 -0.0062 -0.0093 121 VAL v O +47357 C CB . VAL HA 121 ? 1.2363 0.7487 0.8363 0.0102 -0.0069 -0.0125 121 VAL v CB +47358 C CG1 . VAL HA 121 ? 1.2189 0.7355 0.8243 0.0025 -0.0071 -0.0140 121 VAL v CG1 +47359 C CG2 . VAL HA 121 ? 1.2212 0.7167 0.8087 0.0116 -0.0062 -0.0131 121 VAL v CG2 +47360 N N . GLU HA 122 ? 1.0935 0.6371 0.7154 0.0130 -0.0076 -0.0089 122 GLU v N +47361 C CA . GLU HA 122 ? 1.1541 0.7125 0.7874 0.0104 -0.0081 -0.0087 122 GLU v CA +47362 C C . GLU HA 122 ? 1.0596 0.6222 0.6977 0.0070 -0.0075 -0.0070 122 GLU v C +47363 O O . GLU HA 122 ? 1.1252 0.6944 0.7699 0.0014 -0.0075 -0.0075 122 GLU v O +47364 C CB . GLU HA 122 ? 1.1418 0.7105 0.7803 0.0163 -0.0089 -0.0084 122 GLU v CB +47365 C CG . GLU HA 122 ? 1.1854 0.7670 0.8336 0.0137 -0.0098 -0.0093 122 GLU v CG +47366 C CD . GLU HA 122 ? 1.4184 0.9966 1.0647 0.0099 -0.0102 -0.0117 122 GLU v CD +47367 O OE1 . GLU HA 122 ? 1.1620 0.7280 0.7993 0.0101 -0.0100 -0.0128 122 GLU v OE1 +47368 O OE2 . GLU HA 122 ? 1.1461 0.7336 0.7997 0.0067 -0.0110 -0.0124 122 GLU v OE2 +47369 N N . PRO HA 123 ? 1.1075 0.6665 0.7424 0.0098 -0.0068 -0.0050 123 PRO v N +47370 C CA . PRO HA 123 ? 1.1085 0.6704 0.7471 0.0060 -0.0060 -0.0035 123 PRO v CA +47371 C C . PRO HA 123 ? 1.2399 0.7940 0.8754 -0.0011 -0.0050 -0.0042 123 PRO v C +47372 O O . PRO HA 123 ? 1.0919 0.6512 0.7330 -0.0058 -0.0044 -0.0036 123 PRO v O +47373 C CB . PRO HA 123 ? 1.1426 0.6995 0.7761 0.0112 -0.0057 -0.0015 123 PRO v CB +47374 C CG . PRO HA 123 ? 1.0932 0.6407 0.7180 0.0165 -0.0060 -0.0022 123 PRO v CG +47375 C CD . PRO HA 123 ? 1.1077 0.6612 0.7363 0.0171 -0.0069 -0.0041 123 PRO v CD +47376 N N . LYS HA 124 ? 1.1306 0.6723 0.7574 -0.0021 -0.0046 -0.0055 124 LYS v N +47377 C CA . LYS HA 124 ? 1.3492 0.8840 0.9736 -0.0093 -0.0036 -0.0064 124 LYS v CA +47378 C C . LYS HA 124 ? 1.1968 0.7416 0.8302 -0.0148 -0.0042 -0.0080 124 LYS v C +47379 O O . LYS HA 124 ? 1.1771 0.7219 0.8129 -0.0211 -0.0034 -0.0083 124 LYS v O +47380 C CB . LYS HA 124 ? 1.2002 0.7197 0.8134 -0.0090 -0.0032 -0.0077 124 LYS v CB +47381 C CG . LYS HA 124 ? 1.3322 0.8410 0.9359 -0.0034 -0.0026 -0.0062 124 LYS v CG +47382 C CD . LYS HA 124 ? 1.3645 0.8575 0.9567 -0.0031 -0.0022 -0.0074 124 LYS v CD +47383 C CE . LYS HA 124 ? 1.4003 0.8845 0.9887 -0.0104 -0.0007 -0.0079 124 LYS v CE +47384 N NZ . LYS HA 124 ? 1.4875 0.9552 1.0639 -0.0098 -0.0002 -0.0088 124 LYS v NZ +47385 N N . ILE HA 125 ? 1.1377 0.6912 0.7762 -0.0123 -0.0057 -0.0090 125 ILE v N +47386 C CA . ILE HA 125 ? 1.1633 0.7268 0.8102 -0.0167 -0.0066 -0.0105 125 ILE v CA +47387 C C . ILE HA 125 ? 1.2096 0.7874 0.8670 -0.0168 -0.0069 -0.0092 125 ILE v C +47388 O O . ILE HA 125 ? 1.0892 0.6728 0.7529 -0.0222 -0.0067 -0.0094 125 ILE v O +47389 C CB . ILE HA 125 ? 1.3098 0.8743 0.9558 -0.0139 -0.0079 -0.0123 125 ILE v CB +47390 C CG1 . ILE HA 125 ? 1.1962 0.7460 0.8312 -0.0133 -0.0077 -0.0137 125 ILE v CG1 +47391 C CG2 . ILE HA 125 ? 1.0453 0.6200 0.6996 -0.0181 -0.0091 -0.0139 125 ILE v CG2 +47392 C CD1 . ILE HA 125 ? 1.2092 0.7592 0.8421 -0.0092 -0.0089 -0.0152 125 ILE v CD1 +47393 N N . LEU HA 126 ? 1.0820 0.6656 0.7415 -0.0108 -0.0073 -0.0077 126 LEU v N +47394 C CA . LEU HA 126 ? 1.1820 0.7797 0.8516 -0.0104 -0.0078 -0.0067 126 LEU v CA +47395 C C . LEU HA 126 ? 1.1694 0.7688 0.8411 -0.0114 -0.0068 -0.0046 126 LEU v C +47396 O O . LEU HA 126 ? 1.1083 0.7185 0.7886 -0.0135 -0.0070 -0.0041 126 LEU v O +47397 C CB . LEU HA 126 ? 1.0658 0.6696 0.7373 -0.0037 -0.0087 -0.0063 126 LEU v CB +47398 C CG . LEU HA 126 ? 1.0709 0.6766 0.7426 -0.0027 -0.0098 -0.0082 126 LEU v CG +47399 C CD1 . LEU HA 126 ? 1.0506 0.6633 0.7249 0.0038 -0.0103 -0.0075 126 LEU v CD1 +47400 C CD2 . LEU HA 126 ? 1.0612 0.6747 0.7402 -0.0082 -0.0104 -0.0095 126 LEU v CD2 +47401 N N . GLY HA 127 ? 1.0623 0.6514 0.7263 -0.0098 -0.0058 -0.0035 127 GLY v N +47402 C CA . GLY HA 127 ? 0.9958 0.5864 0.6612 -0.0103 -0.0048 -0.0015 127 GLY v CA +47403 C C . GLY HA 127 ? 1.1063 0.7061 0.7765 -0.0048 -0.0056 0.0000 127 GLY v C +47404 O O . GLY HA 127 ? 1.1273 0.7268 0.7952 0.0010 -0.0064 0.0000 127 GLY v O +47405 N N . ASP HA 128 ? 1.1347 0.7431 0.8119 -0.0066 -0.0054 0.0012 128 ASP v N +47406 C CA . ASP HA 128 ? 1.1295 0.7469 0.8116 -0.0019 -0.0061 0.0027 128 ASP v CA +47407 C C . ASP HA 128 ? 1.1202 0.7468 0.8077 0.0014 -0.0074 0.0019 128 ASP v C +47408 O O . ASP HA 128 ? 1.0345 0.6662 0.7239 0.0066 -0.0081 0.0028 128 ASP v O +47409 C CB . ASP HA 128 ? 1.3436 0.9693 1.0330 -0.0053 -0.0056 0.0038 128 ASP v CB +47410 C CG . ASP HA 128 ? 1.3660 0.9840 1.0501 -0.0062 -0.0043 0.0053 128 ASP v CG +47411 O OD1 . ASP HA 128 ? 1.5465 1.1543 1.2219 -0.0028 -0.0041 0.0059 128 ASP v OD1 +47412 O OD2 . ASP HA 128 ? 1.5917 1.2140 1.2804 -0.0103 -0.0036 0.0060 128 ASP v OD2 +47413 N N . LYS HA 129 ? 1.0126 0.6417 0.7027 -0.0015 -0.0079 0.0001 129 LYS v N +47414 C CA . LYS HA 129 ? 0.9650 0.6017 0.6591 0.0018 -0.0090 -0.0007 129 LYS v CA +47415 C C . LYS HA 129 ? 1.0838 0.7156 0.7720 0.0084 -0.0093 -0.0006 129 LYS v C +47416 O O . LYS HA 129 ? 1.1770 0.8166 0.8693 0.0129 -0.0100 -0.0001 129 LYS v O +47417 C CB . LYS HA 129 ? 1.0517 0.6887 0.7470 -0.0020 -0.0095 -0.0028 129 LYS v CB +47418 C CG . LYS HA 129 ? 0.9999 0.6450 0.7031 -0.0077 -0.0096 -0.0032 129 LYS v CG +47419 C CD . LYS HA 129 ? 1.2434 0.8932 0.9498 -0.0091 -0.0107 -0.0051 129 LYS v CD +47420 C CE . LYS HA 129 ? 1.3495 1.0086 1.0645 -0.0142 -0.0110 -0.0055 129 LYS v CE +47421 N NZ . LYS HA 129 ? 1.3995 1.0534 1.1132 -0.0199 -0.0101 -0.0057 129 LYS v NZ +47422 N N . TRP HA 130 ? 1.0340 0.6530 0.7127 0.0093 -0.0088 -0.0010 130 TRP v N +47423 C CA . TRP HA 130 ? 0.9869 0.6005 0.6595 0.0157 -0.0091 -0.0009 130 TRP v CA +47424 C C . TRP HA 130 ? 0.9277 0.5430 0.6004 0.0201 -0.0090 0.0011 130 TRP v C +47425 O O . TRP HA 130 ? 0.9320 0.5427 0.6022 0.0183 -0.0084 0.0023 130 TRP v O +47426 C CB . TRP HA 130 ? 1.1011 0.6999 0.7631 0.0153 -0.0085 -0.0018 130 TRP v CB +47427 C CG . TRP HA 130 ? 1.0023 0.5948 0.6574 0.0220 -0.0088 -0.0019 130 TRP v CG +47428 C CD1 . TRP HA 130 ? 1.1345 0.7188 0.7826 0.0261 -0.0084 -0.0008 130 TRP v CD1 +47429 C CD2 . TRP HA 130 ? 1.0385 0.6329 0.6933 0.0256 -0.0094 -0.0033 130 TRP v CD2 +47430 N NE1 . TRP HA 130 ? 1.1192 0.7001 0.7627 0.0321 -0.0089 -0.0014 130 TRP v NE1 +47431 C CE2 . TRP HA 130 ? 1.0834 0.6705 0.7310 0.0319 -0.0093 -0.0029 130 TRP v CE2 +47432 C CE3 . TRP HA 130 ? 0.9877 0.5891 0.6474 0.0243 -0.0099 -0.0048 130 TRP v CE3 +47433 C CZ2 . TRP HA 130 ? 1.0207 0.6073 0.6660 0.0367 -0.0097 -0.0041 130 TRP v CZ2 +47434 C CZ3 . TRP HA 130 ? 1.0496 0.6503 0.7068 0.0290 -0.0103 -0.0059 130 TRP v CZ3 +47435 C CH2 . TRP HA 130 ? 1.1562 0.7497 0.8064 0.0351 -0.0101 -0.0055 130 TRP v CH2 +47436 N N . GLY HA 131 ? 1.0001 0.6224 0.6760 0.0256 -0.0098 0.0014 131 GLY v N +47437 C CA . GLY HA 131 ? 0.9373 0.5635 0.6149 0.0297 -0.0100 0.0031 131 GLY v CA +47438 C C . GLY HA 131 ? 1.0524 0.6893 0.7388 0.0270 -0.0101 0.0043 131 GLY v C +47439 O O . GLY HA 131 ? 0.9789 0.6198 0.6672 0.0305 -0.0105 0.0057 131 GLY v O +47440 N N . GLY HA 132 ? 0.9878 0.6293 0.6794 0.0211 -0.0099 0.0037 132 GLY v N +47441 C CA . GLY HA 132 ? 0.8978 0.5484 0.5971 0.0182 -0.0099 0.0048 132 GLY v CA +47442 C C . GLY HA 132 ? 0.9387 0.6030 0.6472 0.0201 -0.0107 0.0049 132 GLY v C +47443 O O . GLY HA 132 ? 0.8935 0.5651 0.6078 0.0193 -0.0108 0.0061 132 GLY v O +47444 N N . GLY HA 133 ? 0.9214 0.5890 0.6313 0.0225 -0.0112 0.0038 133 GLY v N +47445 C CA . GLY HA 133 ? 0.9337 0.6139 0.6521 0.0242 -0.0118 0.0039 133 GLY v CA +47446 C C . GLY HA 133 ? 0.9620 0.6503 0.6879 0.0190 -0.0118 0.0035 133 GLY v C +47447 O O . GLY HA 133 ? 0.9134 0.5981 0.6383 0.0139 -0.0115 0.0029 133 GLY v O +47448 N N A LYS HA 134 ? 0.8925 0.5922 0.6262 0.0203 -0.0123 0.0039 134 LYS v N +47449 N N B LYS HA 134 ? 0.8932 0.5929 0.6269 0.0203 -0.0123 0.0039 134 LYS v N +47450 C CA A LYS HA 134 ? 0.8107 0.5189 0.5517 0.0163 -0.0125 0.0034 134 LYS v CA +47451 C CA B LYS HA 134 ? 0.8095 0.5177 0.5505 0.0163 -0.0125 0.0034 134 LYS v CA +47452 C C A LYS HA 134 ? 0.8388 0.5474 0.5822 0.0109 -0.0122 0.0039 134 LYS v C +47453 C C B LYS HA 134 ? 0.8389 0.5473 0.5822 0.0109 -0.0122 0.0038 134 LYS v C +47454 O O A LYS HA 134 ? 0.8481 0.5604 0.5955 0.0067 -0.0124 0.0031 134 LYS v O +47455 O O B LYS HA 134 ? 0.8485 0.5605 0.5956 0.0067 -0.0124 0.0030 134 LYS v O +47456 C CB A LYS HA 134 ? 0.8185 0.5383 0.5670 0.0189 -0.0130 0.0040 134 LYS v CB +47457 C CB B LYS HA 134 ? 0.8170 0.5368 0.5655 0.0190 -0.0130 0.0040 134 LYS v CB +47458 C CG A LYS HA 134 ? 0.8861 0.6111 0.6386 0.0198 -0.0130 0.0056 134 LYS v CG +47459 C CG B LYS HA 134 ? 0.8869 0.6113 0.6389 0.0202 -0.0130 0.0056 134 LYS v CG +47460 C CD A LYS HA 134 ? 0.8558 0.5924 0.6160 0.0221 -0.0134 0.0060 134 LYS v CD +47461 C CD B LYS HA 134 ? 0.8572 0.5934 0.6171 0.0221 -0.0134 0.0061 134 LYS v CD +47462 C CE A LYS HA 134 ? 0.8826 0.6194 0.6409 0.0280 -0.0135 0.0059 134 LYS v CE +47463 C CE B LYS HA 134 ? 0.8821 0.6196 0.6409 0.0278 -0.0135 0.0059 134 LYS v CE +47464 N NZ A LYS HA 134 ? 0.8813 0.6293 0.6470 0.0300 -0.0138 0.0063 134 LYS v NZ +47465 N NZ B LYS HA 134 ? 0.8747 0.6236 0.6413 0.0295 -0.0138 0.0064 134 LYS v NZ +47466 N N A VAL HA 135 ? 0.8364 0.5411 0.5773 0.0110 -0.0118 0.0051 135 VAL v N +47467 N N B VAL HA 135 ? 0.8363 0.5410 0.5773 0.0109 -0.0118 0.0051 135 VAL v N +47468 C CA A VAL HA 135 ? 0.8535 0.5581 0.5963 0.0059 -0.0113 0.0056 135 VAL v CA +47469 C CA B VAL HA 135 ? 0.8530 0.5577 0.5959 0.0059 -0.0113 0.0056 135 VAL v CA +47470 C C A VAL HA 135 ? 0.8441 0.5427 0.5840 0.0011 -0.0109 0.0042 135 VAL v C +47471 C C B VAL HA 135 ? 0.8438 0.5423 0.5837 0.0010 -0.0109 0.0042 135 VAL v C +47472 O O A VAL HA 135 ? 0.9278 0.6301 0.6722 -0.0037 -0.0107 0.0040 135 VAL v O +47473 O O B VAL HA 135 ? 0.9312 0.6329 0.6752 -0.0038 -0.0106 0.0040 135 VAL v O +47474 C CB A VAL HA 135 ? 0.8882 0.5872 0.6267 0.0072 -0.0107 0.0071 135 VAL v CB +47475 C CB B VAL HA 135 ? 0.8881 0.5877 0.6271 0.0073 -0.0108 0.0071 135 VAL v CB +47476 C CG1 A VAL HA 135 ? 0.8449 0.5410 0.5833 0.0017 -0.0098 0.0073 135 VAL v CG1 +47477 C CG1 B VAL HA 135 ? 0.8437 0.5407 0.5827 0.0019 -0.0099 0.0074 135 VAL v CG1 +47478 C CG2 A VAL HA 135 ? 0.8906 0.5973 0.6336 0.0108 -0.0113 0.0084 135 VAL v CG2 +47479 C CG2 B VAL HA 135 ? 0.8883 0.5962 0.6321 0.0109 -0.0114 0.0083 135 VAL v CG2 +47480 N N . TYR HA 136 ? 0.8947 0.5843 0.6275 0.0022 -0.0108 0.0032 136 TYR v N +47481 C CA . TYR HA 136 ? 0.9362 0.6188 0.6654 -0.0023 -0.0104 0.0019 136 TYR v CA +47482 C C . TYR HA 136 ? 0.9300 0.6149 0.6606 -0.0030 -0.0112 0.0001 136 TYR v C +47483 O O . TYR HA 136 ? 0.9513 0.6302 0.6785 -0.0065 -0.0111 -0.0013 136 TYR v O +47484 C CB . TYR HA 136 ? 1.0192 0.6885 0.7384 -0.0011 -0.0097 0.0019 136 TYR v CB +47485 C CG . TYR HA 136 ? 0.9532 0.6194 0.6704 -0.0010 -0.0089 0.0036 136 TYR v CG +47486 C CD1 . TYR HA 136 ? 0.9226 0.5863 0.6400 -0.0064 -0.0080 0.0038 136 TYR v CD1 +47487 C CD2 . TYR HA 136 ? 0.9285 0.5949 0.6441 0.0043 -0.0091 0.0050 136 TYR v CD2 +47488 C CE1 . TYR HA 136 ? 1.0453 0.7060 0.7606 -0.0063 -0.0071 0.0054 136 TYR v CE1 +47489 C CE2 . TYR HA 136 ? 0.9577 0.6213 0.6713 0.0045 -0.0085 0.0065 136 TYR v CE2 +47490 C CZ . TYR HA 136 ? 1.0511 0.7115 0.7643 -0.0009 -0.0075 0.0068 136 TYR v CZ +47491 O OH . TYR HA 136 ? 1.1711 0.8286 0.8821 -0.0008 -0.0067 0.0084 136 TYR v OH +47492 N N A TYR HA 137 ? 0.8670 0.5601 0.6021 0.0001 -0.0119 0.0000 137 TYR v N +47493 N N B TYR HA 137 ? 0.8666 0.5598 0.6019 0.0000 -0.0120 0.0000 137 TYR v N +47494 C CA A TYR HA 137 ? 0.9423 0.6374 0.6784 -0.0004 -0.0127 -0.0016 137 TYR v CA +47495 C CA B TYR HA 137 ? 0.9440 0.6392 0.6802 -0.0005 -0.0127 -0.0017 137 TYR v CA +47496 C C A TYR HA 137 ? 0.9200 0.6183 0.6603 -0.0063 -0.0130 -0.0027 137 TYR v C +47497 C C B TYR HA 137 ? 0.9206 0.6188 0.6608 -0.0064 -0.0130 -0.0027 137 TYR v C +47498 O O A TYR HA 137 ? 0.9499 0.6459 0.6885 -0.0079 -0.0136 -0.0044 137 TYR v O +47499 O O B TYR HA 137 ? 0.9505 0.6464 0.6890 -0.0080 -0.0136 -0.0044 137 TYR v O +47500 C CB A TYR HA 137 ? 0.8314 0.5358 0.5725 0.0034 -0.0132 -0.0014 137 TYR v CB +47501 C CB B TYR HA 137 ? 0.8307 0.5351 0.5718 0.0034 -0.0132 -0.0014 137 TYR v CB +47502 C CG A TYR HA 137 ? 0.8579 0.5591 0.5945 0.0094 -0.0130 -0.0010 137 TYR v CG +47503 C CG B TYR HA 137 ? 0.8588 0.5601 0.5955 0.0095 -0.0130 -0.0010 137 TYR v CG +47504 C CD1 A TYR HA 137 ? 0.8837 0.5741 0.6121 0.0114 -0.0126 -0.0009 137 TYR v CD1 +47505 C CD1 B TYR HA 137 ? 0.8836 0.5743 0.6123 0.0114 -0.0125 -0.0009 137 TYR v CD1 +47506 C CD2 A TYR HA 137 ? 0.8317 0.5407 0.5724 0.0133 -0.0133 -0.0008 137 TYR v CD2 +47507 C CD2 B TYR HA 137 ? 0.8318 0.5408 0.5725 0.0133 -0.0133 -0.0008 137 TYR v CD2 +47508 C CE1 A TYR HA 137 ? 0.8158 0.5036 0.5404 0.0172 -0.0125 -0.0007 137 TYR v CE1 +47509 C CE1 B TYR HA 137 ? 0.8143 0.5023 0.5391 0.0171 -0.0125 -0.0006 137 TYR v CE1 +47510 C CE2 A TYR HA 137 ? 0.8529 0.5597 0.5900 0.0188 -0.0131 -0.0006 137 TYR v CE2 +47511 C CE2 B TYR HA 137 ? 0.8519 0.5587 0.5891 0.0188 -0.0131 -0.0005 137 TYR v CE2 +47512 C CZ A TYR HA 137 ? 0.8969 0.5932 0.6261 0.0209 -0.0127 -0.0005 137 TYR v CZ +47513 C CZ B TYR HA 137 ? 0.8968 0.5933 0.6262 0.0209 -0.0127 -0.0005 137 TYR v CZ +47514 O OH A TYR HA 137 ? 0.9698 0.6645 0.6958 0.0266 -0.0126 -0.0004 137 TYR v OH +47515 O OH B TYR HA 137 ? 0.9717 0.6664 0.6978 0.0267 -0.0126 -0.0003 137 TYR v OH +47516 O OXT A TYR HA 137 ? 0.9094 0.6128 0.6549 -0.0094 -0.0128 -0.0020 137 TYR v OXT +47517 O OXT B TYR HA 137 ? 0.9104 0.6136 0.6558 -0.0096 -0.0128 -0.0021 137 TYR v OXT +47518 N N . THR IA 1 ? 1.3927 1.3118 1.3933 -0.1958 -0.0067 -0.0702 2 THR x N +47519 C CA . THR IA 1 ? 1.4745 1.3894 1.4726 -0.1986 -0.0097 -0.0729 2 THR x CA +47520 C C . THR IA 1 ? 1.5452 1.4576 1.5380 -0.1928 -0.0146 -0.0724 2 THR x C +47521 O O . THR IA 1 ? 1.4733 1.3913 1.4678 -0.1871 -0.0166 -0.0710 2 THR x O +47522 C CB . THR IA 1 ? 1.6402 1.5416 1.6296 -0.2031 -0.0061 -0.0723 2 THR x CB +47523 O OG1 . THR IA 1 ? 1.3619 1.2532 1.3413 -0.1991 -0.0039 -0.0683 2 THR x OG1 +47524 C CG2 . THR IA 1 ? 1.9127 1.8167 1.9079 -0.2100 -0.0016 -0.0736 2 THR x CG2 +47525 N N . ILE IA 2 ? 1.2871 1.1912 1.2734 -0.1943 -0.0165 -0.0736 3 ILE x N +47526 C CA . ILE IA 2 ? 1.1873 1.0872 1.1672 -0.1891 -0.0207 -0.0731 3 ILE x CA +47527 C C . ILE IA 2 ? 1.3032 1.1883 1.2706 -0.1877 -0.0184 -0.0702 3 ILE x C +47528 O O . ILE IA 2 ? 1.4822 1.3581 1.4439 -0.1915 -0.0176 -0.0712 3 ILE x O +47529 C CB . ILE IA 2 ? 1.2780 1.1800 1.2600 -0.1914 -0.0252 -0.0769 3 ILE x CB +47530 C CG1 . ILE IA 2 ? 1.3597 1.2765 1.3546 -0.1933 -0.0273 -0.0801 3 ILE x CG1 +47531 C CG2 . ILE IA 2 ? 1.2221 1.1200 1.1972 -0.1856 -0.0294 -0.0761 3 ILE x CG2 +47532 C CD1 . ILE IA 2 ? 1.4086 1.3347 1.4077 -0.1871 -0.0310 -0.0795 3 ILE x CD1 +47533 N N . THR IA 3 ? 1.0726 0.9552 1.0354 -0.1822 -0.0173 -0.0666 4 THR x N +47534 C CA . THR IA 3 ? 1.0376 0.9067 0.9886 -0.1802 -0.0154 -0.0638 4 THR x CA +47535 C C . THR IA 3 ? 0.8984 0.7614 0.8427 -0.1778 -0.0193 -0.0647 4 THR x C +47536 O O . THR IA 3 ? 0.9382 0.8081 0.8869 -0.1765 -0.0236 -0.0669 4 THR x O +47537 C CB . THR IA 3 ? 1.1411 1.0101 1.0896 -0.1745 -0.0139 -0.0600 4 THR x CB +47538 O OG1 . THR IA 3 ? 1.0081 0.8830 0.9581 -0.1687 -0.0180 -0.0597 4 THR x OG1 +47539 C CG2 . THR IA 3 ? 0.9724 0.8483 0.9279 -0.1764 -0.0103 -0.0593 4 THR x CG2 +47540 N N . PRO IA 4 ? 0.9255 0.7754 0.8590 -0.1771 -0.0179 -0.0630 5 PRO x N +47541 C CA . PRO IA 4 ? 0.9727 0.8164 0.8992 -0.1741 -0.0215 -0.0635 5 PRO x CA +47542 C C . PRO IA 4 ? 1.1023 0.9517 1.0296 -0.1674 -0.0250 -0.0624 5 PRO x C +47543 O O . PRO IA 4 ? 1.0007 0.8520 0.9280 -0.1659 -0.0292 -0.0644 5 PRO x O +47544 C CB . PRO IA 4 ? 0.9105 0.7397 0.8254 -0.1735 -0.0185 -0.0610 5 PRO x CB +47545 C CG . PRO IA 4 ? 0.9830 0.8102 0.8993 -0.1783 -0.0139 -0.0605 5 PRO x CG +47546 C CD . PRO IA 4 ? 0.8636 0.7035 0.7906 -0.1790 -0.0131 -0.0607 5 PRO x CD +47547 N N . SER IA 5 ? 0.9951 0.8474 0.9230 -0.1632 -0.0234 -0.0594 6 SER x N +47548 C CA . SER IA 5 ? 0.8943 0.7513 0.8224 -0.1567 -0.0265 -0.0581 6 SER x CA +47549 C C . SER IA 5 ? 0.7681 0.6382 0.7063 -0.1568 -0.0298 -0.0605 6 SER x C +47550 O O . SER IA 5 ? 0.9208 0.7939 0.8587 -0.1527 -0.0336 -0.0609 6 SER x O +47551 C CB . SER IA 5 ? 0.8264 0.6828 0.7525 -0.1525 -0.0239 -0.0544 6 SER x CB +47552 O OG . SER IA 5 ? 0.8960 0.7620 0.8309 -0.1538 -0.0222 -0.0543 6 SER x OG +47553 N N . LEU IA 6 ? 0.9518 0.8298 0.8989 -0.1612 -0.0285 -0.0622 7 LEU x N +47554 C CA . LEU IA 6 ? 0.8687 0.7589 0.8254 -0.1615 -0.0319 -0.0649 7 LEU x CA +47555 C C . LEU IA 6 ? 1.1572 1.0462 1.1131 -0.1636 -0.0357 -0.0682 7 LEU x C +47556 O O . LEU IA 6 ? 1.0168 0.9123 0.9760 -0.1611 -0.0400 -0.0698 7 LEU x O +47557 C CB . LEU IA 6 ? 0.9869 0.8857 0.9534 -0.1659 -0.0294 -0.0661 7 LEU x CB +47558 C CG . LEU IA 6 ? 1.0438 0.9564 1.0214 -0.1664 -0.0326 -0.0689 7 LEU x CG +47559 C CD1 . LEU IA 6 ? 0.9405 0.8592 0.9195 -0.1597 -0.0355 -0.0674 7 LEU x CD1 +47560 C CD2 . LEU IA 6 ? 0.9481 0.8685 0.9349 -0.1708 -0.0295 -0.0699 7 LEU x CD2 +47561 N N . LYS IA 7 ? 1.0602 0.9404 1.0113 -0.1683 -0.0342 -0.0694 8 LYS x N +47562 C CA . LYS IA 7 ? 1.0514 0.9279 0.9994 -0.1697 -0.0377 -0.0722 8 LYS x CA +47563 C C . LYS IA 7 ? 1.0410 0.9135 0.9818 -0.1634 -0.0409 -0.0708 8 LYS x C +47564 O O . LYS IA 7 ? 0.8961 0.7734 0.8390 -0.1617 -0.0453 -0.0728 8 LYS x O +47565 C CB . LYS IA 7 ? 0.9572 0.8226 0.8991 -0.1749 -0.0351 -0.0729 8 LYS x CB +47566 C CG . LYS IA 7 ? 1.4522 1.3102 1.3874 -0.1751 -0.0383 -0.0748 8 LYS x CG +47567 C CD . LYS IA 7 ? 1.4550 1.2992 1.3811 -0.1785 -0.0354 -0.0745 8 LYS x CD +47568 C CE . LYS IA 7 ? 1.5494 1.3868 1.4692 -0.1786 -0.0389 -0.0767 8 LYS x CE +47569 N NZ . LYS IA 7 ? 1.5718 1.3949 1.4819 -0.1813 -0.0364 -0.0763 8 LYS x NZ +47570 N N . GLY IA 8 ? 0.8943 0.7580 0.8267 -0.1598 -0.0386 -0.0674 9 GLY x N +47571 C CA . GLY IA 8 ? 0.8595 0.7193 0.7850 -0.1537 -0.0412 -0.0660 9 GLY x CA +47572 C C . GLY IA 8 ? 1.0860 0.9563 1.0171 -0.1491 -0.0442 -0.0657 9 GLY x C +47573 O O . GLY IA 8 ? 0.9643 0.8341 0.8921 -0.1453 -0.0477 -0.0660 9 GLY x O +47574 N N . PHE IA 9 ? 0.8580 0.7374 0.7972 -0.1492 -0.0429 -0.0650 10 PHE x N +47575 C CA . PHE IA 9 ? 0.9022 0.7916 0.8468 -0.1448 -0.0457 -0.0648 10 PHE x CA +47576 C C . PHE IA 9 ? 0.8443 0.7403 0.7938 -0.1460 -0.0503 -0.0684 10 PHE x C +47577 O O . PHE IA 9 ? 0.8679 0.7668 0.8166 -0.1415 -0.0539 -0.0684 10 PHE x O +47578 C CB . PHE IA 9 ? 0.8753 0.7730 0.8277 -0.1450 -0.0432 -0.0635 10 PHE x CB +47579 C CG . PHE IA 9 ? 1.0872 0.9951 1.0454 -0.1407 -0.0460 -0.0633 10 PHE x CG +47580 C CD1 . PHE IA 9 ? 0.8175 0.7243 0.7718 -0.1347 -0.0463 -0.0604 10 PHE x CD1 +47581 C CD2 . PHE IA 9 ? 0.8742 0.7928 0.8419 -0.1426 -0.0484 -0.0662 10 PHE x CD2 +47582 C CE1 . PHE IA 9 ? 0.8866 0.8021 0.8458 -0.1309 -0.0487 -0.0602 10 PHE x CE1 +47583 C CE2 . PHE IA 9 ? 0.8417 0.7693 0.8144 -0.1385 -0.0510 -0.0660 10 PHE x CE2 +47584 C CZ . PHE IA 9 ? 0.9666 0.8924 0.9348 -0.1327 -0.0512 -0.0630 10 PHE x CZ +47585 N N . PHE IA 10 ? 0.9758 0.8741 0.9302 -0.1519 -0.0504 -0.0715 11 PHE x N +47586 C CA . PHE IA 10 ? 0.9839 0.8888 0.9432 -0.1531 -0.0550 -0.0752 11 PHE x CA +47587 C C . PHE IA 10 ? 0.8478 0.7447 0.7988 -0.1520 -0.0580 -0.0763 11 PHE x C +47588 O O . PHE IA 10 ? 1.0188 0.9201 0.9711 -0.1498 -0.0625 -0.0781 11 PHE x O +47589 C CB . PHE IA 10 ? 1.0511 0.9610 1.0183 -0.1600 -0.0541 -0.0783 11 PHE x CB +47590 C CG . PHE IA 10 ? 1.1068 1.0271 1.0839 -0.1610 -0.0520 -0.0780 11 PHE x CG +47591 C CD1 . PHE IA 10 ? 1.0303 0.9613 1.0141 -0.1573 -0.0547 -0.0782 11 PHE x CD1 +47592 C CD2 . PHE IA 10 ? 0.9821 0.9011 0.9616 -0.1657 -0.0474 -0.0776 11 PHE x CD2 +47593 C CE1 . PHE IA 10 ? 1.0868 1.0272 1.0795 -0.1581 -0.0528 -0.0779 11 PHE x CE1 +47594 C CE2 . PHE IA 10 ? 1.1360 1.0645 1.1244 -0.1666 -0.0454 -0.0773 11 PHE x CE2 +47595 C CZ . PHE IA 10 ? 1.0811 1.0204 1.0762 -0.1627 -0.0481 -0.0775 11 PHE x CZ +47596 N N . ILE IA 11 ? 0.9651 0.8501 0.9073 -0.1533 -0.0558 -0.0753 12 ILE x N +47597 C CA . ILE IA 11 ? 0.9757 0.8523 0.9091 -0.1516 -0.0583 -0.0760 12 ILE x CA +47598 C C . ILE IA 11 ? 0.9846 0.8619 0.9143 -0.1445 -0.0606 -0.0740 12 ILE x C +47599 O O . ILE IA 11 ? 0.9630 0.8412 0.8909 -0.1424 -0.0647 -0.0756 12 ILE x O +47600 C CB . ILE IA 11 ? 1.1666 1.0299 1.0909 -0.1535 -0.0550 -0.0748 12 ILE x CB +47601 C CG1 . ILE IA 11 ? 1.1600 1.0214 1.0869 -0.1609 -0.0534 -0.0774 12 ILE x CG1 +47602 C CG2 . ILE IA 11 ? 1.0809 0.9349 0.9949 -0.1502 -0.0572 -0.0747 12 ILE x CG2 +47603 C CD1 . ILE IA 11 ? 1.0984 0.9466 1.0163 -0.1629 -0.0500 -0.0762 12 ILE x CD1 +47604 N N . GLY IA 12 ? 0.9701 0.8472 0.8986 -0.1408 -0.0579 -0.0704 13 GLY x N +47605 C CA . GLY IA 12 ? 0.8466 0.7248 0.7720 -0.1342 -0.0597 -0.0683 13 GLY x CA +47606 C C . GLY IA 12 ? 0.8489 0.7385 0.7818 -0.1324 -0.0635 -0.0698 13 GLY x C +47607 O O . GLY IA 12 ? 1.0090 0.8989 0.9388 -0.1283 -0.0669 -0.0699 13 GLY x O +47608 N N . LEU IA 13 ? 0.9708 0.8699 0.9135 -0.1352 -0.0630 -0.0710 14 LEU x N +47609 C CA . LEU IA 13 ? 0.9666 0.8768 0.9168 -0.1334 -0.0667 -0.0725 14 LEU x CA +47610 C C . LEU IA 13 ? 0.9249 0.8358 0.8748 -0.1346 -0.0713 -0.0761 14 LEU x C +47611 O O . LEU IA 13 ? 1.0270 0.9416 0.9767 -0.1307 -0.0751 -0.0766 14 LEU x O +47612 C CB . LEU IA 13 ? 0.9087 0.8285 0.8694 -0.1365 -0.0650 -0.0733 14 LEU x CB +47613 C CG . LEU IA 13 ? 1.1335 1.0646 1.1018 -0.1331 -0.0667 -0.0729 14 LEU x CG +47614 C CD1 . LEU IA 13 ? 0.9863 0.9150 0.9494 -0.1267 -0.0665 -0.0694 14 LEU x CD1 +47615 C CD2 . LEU IA 13 ? 1.1000 1.0381 1.0771 -0.1364 -0.0636 -0.0730 14 LEU x CD2 +47616 N N . LEU IA 14 ? 1.0390 0.9460 0.9883 -0.1400 -0.0711 -0.0787 15 LEU x N +47617 C CA . LEU IA 14 ? 0.8952 0.8029 0.8444 -0.1416 -0.0755 -0.0823 15 LEU x CA +47618 C C . LEU IA 14 ? 0.9458 0.8447 0.8844 -0.1376 -0.0776 -0.0816 15 LEU x C +47619 O O . LEU IA 14 ? 0.9346 0.8361 0.8727 -0.1356 -0.0821 -0.0834 15 LEU x O +47620 C CB . LEU IA 14 ? 1.1386 1.0438 1.0897 -0.1487 -0.0744 -0.0852 15 LEU x CB +47621 C CG . LEU IA 14 ? 1.4453 1.3616 1.4080 -0.1533 -0.0755 -0.0884 15 LEU x CG +47622 C CD1 . LEU IA 14 ? 1.4127 1.3388 1.3839 -0.1519 -0.0736 -0.0867 15 LEU x CD1 +47623 C CD2 . LEU IA 14 ? 1.3662 1.2783 1.3298 -0.1605 -0.0731 -0.0904 15 LEU x CD2 +47624 N N . SER IA 15 ? 0.9584 0.8468 0.8884 -0.1365 -0.0745 -0.0790 16 SER x N +47625 C CA . SER IA 15 ? 0.9285 0.8084 0.8484 -0.1326 -0.0761 -0.0782 16 SER x CA +47626 C C . SER IA 15 ? 0.9493 0.8341 0.8690 -0.1263 -0.0786 -0.0767 16 SER x C +47627 O O . SER IA 15 ? 0.9484 0.8322 0.8643 -0.1239 -0.0824 -0.0780 16 SER x O +47628 C CB . SER IA 15 ? 0.9283 0.7971 0.8398 -0.1319 -0.0720 -0.0753 16 SER x CB +47629 O OG . SER IA 15 ? 0.9751 0.8385 0.8860 -0.1376 -0.0695 -0.0766 16 SER x OG +47630 N N . GLY IA 16 ? 0.9560 0.8461 0.8798 -0.1238 -0.0766 -0.0740 17 GLY x N +47631 C CA . GLY IA 16 ? 0.8284 0.7233 0.7524 -0.1181 -0.0787 -0.0725 17 GLY x CA +47632 C C . GLY IA 16 ? 0.9652 0.8686 0.8946 -0.1178 -0.0835 -0.0755 17 GLY x C +47633 O O . GLY IA 16 ? 1.0669 0.9697 0.9922 -0.1139 -0.0868 -0.0756 17 GLY x O +47634 N N . ALA IA 17 ? 0.9661 0.8776 0.9049 -0.1219 -0.0840 -0.0778 18 ALA x N +47635 C CA . ALA IA 17 ? 0.9556 0.8760 0.9004 -0.1219 -0.0888 -0.0809 18 ALA x CA +47636 C C . ALA IA 17 ? 1.2186 1.1341 1.1577 -0.1224 -0.0926 -0.0836 18 ALA x C +47637 O O . ALA IA 17 ? 0.9835 0.9027 0.9225 -0.1194 -0.0969 -0.0849 18 ALA x O +47638 C CB . ALA IA 17 ? 1.0017 0.9310 0.9574 -0.1269 -0.0883 -0.0832 18 ALA x CB +47639 N N . VAL IA 18 ? 1.0193 0.9264 0.9535 -0.1262 -0.0912 -0.0847 19 VAL x N +47640 C CA . VAL IA 18 ? 1.0241 0.9257 0.9522 -0.1267 -0.0947 -0.0873 19 VAL x CA +47641 C C . VAL IA 18 ? 0.9966 0.8924 0.9154 -0.1206 -0.0961 -0.0852 19 VAL x C +47642 O O . VAL IA 18 ? 1.1197 1.0170 1.0366 -0.1182 -0.1004 -0.0869 19 VAL x O +47643 C CB . VAL IA 18 ? 1.1972 1.0901 1.1214 -0.1319 -0.0926 -0.0886 19 VAL x CB +47644 C CG1 . VAL IA 18 ? 0.9584 0.8434 0.8740 -0.1313 -0.0957 -0.0905 19 VAL x CG1 +47645 C CG2 . VAL IA 18 ? 0.9357 0.8350 0.8693 -0.1383 -0.0924 -0.0916 19 VAL x CG2 +47646 N N . VAL IA 19 ? 1.1121 1.0013 1.0251 -0.1179 -0.0923 -0.0815 20 VAL x N +47647 C CA . VAL IA 19 ? 1.0592 0.9428 0.9634 -0.1121 -0.0931 -0.0794 20 VAL x CA +47648 C C . VAL IA 19 ? 1.0579 0.9497 0.9654 -0.1076 -0.0962 -0.0790 20 VAL x C +47649 O O . VAL IA 19 ? 1.0951 0.9848 0.9972 -0.1042 -0.0994 -0.0795 20 VAL x O +47650 C CB . VAL IA 19 ? 1.0121 0.8888 0.9110 -0.1101 -0.0883 -0.0755 20 VAL x CB +47651 C CG1 . VAL IA 19 ? 1.0914 0.9646 0.9832 -0.1039 -0.0889 -0.0731 20 VAL x CG1 +47652 C CG2 . VAL IA 19 ? 0.9727 0.8394 0.8659 -0.1136 -0.0859 -0.0760 20 VAL x CG2 +47653 N N . LEU IA 20 ? 0.9315 0.8322 0.8475 -0.1074 -0.0953 -0.0780 21 LEU x N +47654 C CA . LEU IA 20 ? 0.9381 0.8466 0.8574 -0.1033 -0.0983 -0.0778 21 LEU x CA +47655 C C . LEU IA 20 ? 0.9817 0.8958 0.9047 -0.1048 -0.1035 -0.0818 21 LEU x C +47656 O O . LEU IA 20 ? 1.0602 0.9760 0.9808 -0.1008 -0.1071 -0.0822 21 LEU x O +47657 C CB . LEU IA 20 ? 0.9108 0.8274 0.8384 -0.1029 -0.0961 -0.0760 21 LEU x CB +47658 C CG . LEU IA 20 ? 1.2264 1.1386 1.1505 -0.1005 -0.0914 -0.0718 21 LEU x CG +47659 C CD1 . LEU IA 20 ? 1.1281 1.0489 1.0606 -0.0999 -0.0897 -0.0703 21 LEU x CD1 +47660 C CD2 . LEU IA 20 ? 1.0593 0.9654 0.9744 -0.0951 -0.0919 -0.0695 21 LEU x CD2 +47661 N N . GLY IA 21 ? 1.0570 0.9740 0.9858 -0.1104 -0.1038 -0.0848 22 GLY x N +47662 C CA . GLY IA 21 ? 1.2240 1.1467 1.1569 -0.1121 -0.1088 -0.0889 22 GLY x CA +47663 C C . GLY IA 21 ? 1.0424 0.9581 0.9662 -0.1103 -0.1123 -0.0904 22 GLY x C +47664 O O . GLY IA 21 ? 1.0923 1.0116 1.0157 -0.1072 -0.1166 -0.0916 22 GLY x O +47665 N N . LEU IA 22 ? 0.9949 0.9001 0.9110 -0.1121 -0.1103 -0.0902 23 LEU x N +47666 C CA . LEU IA 22 ? 1.0893 0.9869 0.9959 -0.1103 -0.1132 -0.0914 23 LEU x CA +47667 C C . LEU IA 22 ? 1.2154 1.1117 1.1161 -0.1036 -0.1145 -0.0890 23 LEU x C +47668 O O . LEU IA 22 ? 1.1564 1.0532 1.0539 -0.1012 -0.1189 -0.0907 23 LEU x O +47669 C CB . LEU IA 22 ? 1.1296 1.0157 1.0286 -0.1128 -0.1101 -0.0910 23 LEU x CB +47670 C CG . LEU IA 22 ? 1.3672 1.2519 1.2688 -0.1194 -0.1106 -0.0945 23 LEU x CG +47671 C CD1 . LEU IA 22 ? 1.3413 1.2135 1.2339 -0.1210 -0.1076 -0.0938 23 LEU x CD1 +47672 C CD2 . LEU IA 22 ? 1.0951 0.9836 0.9980 -0.1203 -0.1163 -0.0987 23 LEU x CD2 +47673 N N . THR IA 23 ? 1.1400 1.0347 1.0390 -0.1005 -0.1107 -0.0850 24 THR x N +47674 C CA . THR IA 23 ? 0.9937 0.8865 0.8867 -0.0943 -0.1113 -0.0825 24 THR x CA +47675 C C . THR IA 23 ? 1.0208 0.9223 0.9181 -0.0915 -0.1157 -0.0836 24 THR x C +47676 O O . THR IA 23 ? 1.0545 0.9537 0.9457 -0.0878 -0.1188 -0.0839 24 THR x O +47677 C CB . THR IA 23 ? 1.1061 0.9978 0.9988 -0.0919 -0.1066 -0.0782 24 THR x CB +47678 O OG1 . THR IA 23 ? 1.0763 0.9587 0.9632 -0.0935 -0.1029 -0.0770 24 THR x OG1 +47679 C CG2 . THR IA 23 ? 1.0116 0.9029 0.8996 -0.0857 -0.1073 -0.0756 24 THR x CG2 +47680 N N . PHE IA 24 ? 0.9810 0.8924 0.8887 -0.0933 -0.1161 -0.0844 25 PHE x N +47681 C CA . PHE IA 24 ? 1.0709 0.9907 0.9827 -0.0904 -0.1204 -0.0855 25 PHE x CA +47682 C C . PHE IA 24 ? 1.0626 0.9841 0.9748 -0.0923 -0.1256 -0.0898 25 PHE x C +47683 O O . PHE IA 24 ? 1.0589 0.9825 0.9689 -0.0886 -0.1297 -0.0906 25 PHE x O +47684 C CB . PHE IA 24 ? 0.9756 0.9054 0.8981 -0.0911 -0.1192 -0.0849 25 PHE x CB +47685 C CG . PHE IA 24 ? 1.0513 0.9815 0.9727 -0.0866 -0.1165 -0.0808 25 PHE x CG +47686 C CD1 . PHE IA 24 ? 1.1777 1.1100 1.0967 -0.0813 -0.1191 -0.0797 25 PHE x CD1 +47687 C CD2 . PHE IA 24 ? 1.2838 1.2116 1.2059 -0.0876 -0.1113 -0.0779 25 PHE x CD2 +47688 C CE1 . PHE IA 24 ? 1.2850 1.2173 1.2027 -0.0773 -0.1166 -0.0760 25 PHE x CE1 +47689 C CE2 . PHE IA 24 ? 1.1747 1.1027 1.0957 -0.0835 -0.1089 -0.0742 25 PHE x CE2 +47690 C CZ . PHE IA 24 ? 0.9598 0.8901 0.8786 -0.0784 -0.1115 -0.0733 25 PHE x CZ +47691 N N . ALA IA 25 ? 1.0778 0.9979 0.9921 -0.0978 -0.1255 -0.0926 26 ALA x N +47692 C CA . ALA IA 25 ? 0.9593 0.8797 0.8728 -0.0998 -0.1303 -0.0968 26 ALA x CA +47693 C C . ALA IA 25 ? 0.9865 0.8982 0.8883 -0.0960 -0.1325 -0.0966 26 ALA x C +47694 O O . ALA IA 25 ? 1.0066 0.9210 0.9070 -0.0935 -0.1373 -0.0984 26 ALA x O +47695 C CB . ALA IA 25 ? 0.9361 0.8544 0.8524 -0.1066 -0.1290 -0.0994 26 ALA x CB +47696 N N . VAL IA 26 ? 0.9497 0.8511 0.8430 -0.0955 -0.1290 -0.0944 27 VAL x N +47697 C CA . VAL IA 26 ? 0.8846 0.7774 0.7665 -0.0918 -0.1307 -0.0941 27 VAL x CA +47698 C C . VAL IA 26 ? 1.0257 0.9214 0.9053 -0.0857 -0.1326 -0.0922 27 VAL x C +47699 O O . VAL IA 26 ? 0.9799 0.8753 0.8553 -0.0833 -0.1370 -0.0939 27 VAL x O +47700 C CB . VAL IA 26 ? 1.0785 0.9604 0.9522 -0.0918 -0.1260 -0.0916 27 VAL x CB +47701 C CG1 . VAL IA 26 ? 1.0661 0.9399 0.9283 -0.0872 -0.1273 -0.0908 27 VAL x CG1 +47702 C CG2 . VAL IA 26 ? 0.9768 0.8544 0.8512 -0.0978 -0.1246 -0.0938 27 VAL x CG2 +47703 N N . LEU IA 27 ? 1.0537 0.9525 0.9361 -0.0831 -0.1294 -0.0886 28 LEU x N +47704 C CA . LEU IA 27 ? 0.9486 0.8492 0.8283 -0.0772 -0.1306 -0.0864 28 LEU x CA +47705 C C . LEU IA 27 ? 1.0165 0.9256 0.9011 -0.0761 -0.1360 -0.0889 28 LEU x C +47706 O O . LEU IA 27 ? 1.0256 0.9332 0.9044 -0.0720 -0.1392 -0.0890 28 LEU x O +47707 C CB . LEU IA 27 ? 0.9948 0.8981 0.8781 -0.0755 -0.1263 -0.0825 28 LEU x CB +47708 C CG . LEU IA 27 ? 1.0354 0.9298 0.9117 -0.0743 -0.1214 -0.0792 28 LEU x CG +47709 C CD1 . LEU IA 27 ? 1.0381 0.9358 0.9183 -0.0725 -0.1176 -0.0755 28 LEU x CD1 +47710 C CD2 . LEU IA 27 ? 1.0077 0.8941 0.8728 -0.0702 -0.1224 -0.0783 28 LEU x CD2 +47711 N N . ILE IA 28 ? 0.9839 0.9019 0.8792 -0.0797 -0.1371 -0.0911 29 ILE x N +47712 C CA . ILE IA 28 ? 0.9839 0.9105 0.8845 -0.0788 -0.1424 -0.0938 29 ILE x CA +47713 C C . ILE IA 28 ? 1.1161 1.0390 1.0110 -0.0792 -0.1471 -0.0972 29 ILE x C +47714 O O . ILE IA 28 ? 1.0058 0.9300 0.8974 -0.0753 -0.1513 -0.0980 29 ILE x O +47715 C CB . ILE IA 28 ? 1.0608 0.9976 0.9742 -0.0830 -0.1423 -0.0956 29 ILE x CB +47716 C CG1 . ILE IA 28 ? 1.0954 1.0369 1.0143 -0.0814 -0.1384 -0.0922 29 ILE x CG1 +47717 C CG2 . ILE IA 28 ? 0.9125 0.8579 0.8314 -0.0827 -0.1482 -0.0992 29 ILE x CG2 +47718 C CD1 . ILE IA 28 ? 1.0558 1.0066 0.9870 -0.0857 -0.1372 -0.0936 29 ILE x CD1 +47719 N N . ALA IA 29 ? 0.8766 0.7942 0.7695 -0.0838 -0.1464 -0.0993 30 ALA x N +47720 C CA . ALA IA 29 ? 1.0150 0.9283 0.9020 -0.0845 -0.1508 -0.1027 30 ALA x CA +47721 C C . ALA IA 29 ? 1.0272 0.9326 0.9023 -0.0791 -0.1518 -0.1010 30 ALA x C +47722 O O . ALA IA 29 ? 1.0335 0.9396 0.9052 -0.0767 -0.1568 -0.1030 30 ALA x O +47723 C CB . ALA IA 29 ? 0.8843 0.7916 0.7700 -0.0902 -0.1489 -0.1046 30 ALA x CB +47724 N N . ILE IA 30 ? 0.9829 0.8808 0.8515 -0.0770 -0.1472 -0.0974 31 ILE x N +47725 C CA . ILE IA 30 ? 1.0239 0.9140 0.8810 -0.0719 -0.1477 -0.0956 31 ILE x CA +47726 C C . ILE IA 30 ? 1.0200 0.9154 0.8774 -0.0667 -0.1505 -0.0944 31 ILE x C +47727 O O . ILE IA 30 ? 1.1419 1.0336 0.9914 -0.0631 -0.1535 -0.0948 31 ILE x O +47728 C CB . ILE IA 30 ? 1.0713 0.9534 0.9226 -0.0708 -0.1419 -0.0918 31 ILE x CB +47729 C CG1 . ILE IA 30 ? 1.0915 0.9670 0.9409 -0.0756 -0.1396 -0.0931 31 ILE x CG1 +47730 C CG2 . ILE IA 30 ? 1.1509 1.0258 0.9910 -0.0653 -0.1420 -0.0897 31 ILE x CG2 +47731 C CD1 . ILE IA 30 ? 1.3959 1.2627 1.2384 -0.0742 -0.1344 -0.0897 31 ILE x CD1 +47732 N N . SER IA 31 ? 1.0844 0.9883 0.9505 -0.0662 -0.1494 -0.0929 32 SER x N +47733 C CA . SER IA 31 ? 1.0693 0.9772 0.9349 -0.0609 -0.1515 -0.0914 32 SER x CA +47734 C C . SER IA 31 ? 1.0569 0.9709 0.9251 -0.0604 -0.1580 -0.0950 32 SER x C +47735 O O . SER IA 31 ? 0.9821 0.8960 0.8455 -0.0556 -0.1609 -0.0944 32 SER x O +47736 C CB . SER IA 31 ? 0.9170 0.8317 0.7906 -0.0602 -0.1483 -0.0885 32 SER x CB +47737 O OG . SER IA 31 ? 0.9913 0.9152 0.8765 -0.0642 -0.1491 -0.0907 32 SER x OG +47738 N N . GLN IA 32 ? 1.0299 0.9494 0.9057 -0.0651 -0.1602 -0.0987 33 GLN x N +47739 C CA . GLN IA 32 ? 1.1495 1.0747 1.0279 -0.0649 -0.1666 -0.1025 33 GLN x CA +47740 C C . GLN IA 32 ? 1.2745 1.1916 1.1419 -0.0634 -0.1699 -0.1043 33 GLN x C +47741 O O . GLN IA 32 ? 1.1913 1.1098 1.0554 -0.0598 -0.1747 -0.1054 33 GLN x O +47742 C CB . GLN IA 32 ? 1.0479 0.9808 0.9374 -0.0708 -0.1677 -0.1061 33 GLN x CB +47743 C CG . GLN IA 32 ? 0.9583 0.9003 0.8593 -0.0722 -0.1649 -0.1047 33 GLN x CG +47744 C CD . GLN IA 32 ? 1.1294 1.0807 1.0359 -0.0685 -0.1684 -0.1049 33 GLN x CD +47745 O OE1 . GLN IA 32 ? 1.5239 1.4765 1.4275 -0.0658 -0.1737 -0.1070 33 GLN x OE1 +47746 N NE2 . GLN IA 32 ? 1.2531 1.2108 1.1673 -0.0681 -0.1656 -0.1028 33 GLN x NE2 +47747 N N . ILE IA 33 ? 1.1751 1.0834 1.0365 -0.0661 -0.1675 -0.1045 34 ILE x N +47748 C CA . ILE IA 33 ? 1.1400 1.0397 0.9903 -0.0647 -0.1702 -0.1061 34 ILE x CA +47749 C C . ILE IA 33 ? 1.2841 1.1782 1.1244 -0.0583 -0.1698 -0.1029 34 ILE x C +47750 O O . ILE IA 33 ? 1.5276 1.4208 1.3624 -0.0549 -0.1743 -0.1041 34 ILE x O +47751 C CB . ILE IA 33 ? 1.1137 1.0048 0.9598 -0.0688 -0.1671 -0.1067 34 ILE x CB +47752 C CG1 . ILE IA 33 ? 1.1147 1.0111 0.9702 -0.0753 -0.1679 -0.1102 34 ILE x CG1 +47753 C CG2 . ILE IA 33 ? 1.2221 1.1036 1.0559 -0.0669 -0.1693 -0.1079 34 ILE x CG2 +47754 C CD1 . ILE IA 33 ? 1.4432 1.3317 1.2957 -0.0797 -0.1641 -0.1104 34 ILE x CD1 +47755 N N . ASP IA 34 ? 1.1393 1.0297 0.9774 -0.0566 -0.1643 -0.0987 35 ASP x N +47756 C CA . ASP IA 34 ? 1.3062 1.1896 1.1339 -0.0512 -0.1628 -0.0954 35 ASP x CA +47757 C C . ASP IA 34 ? 1.2875 1.1772 1.1183 -0.0468 -0.1635 -0.0931 35 ASP x C +47758 O O . ASP IA 34 ? 1.4191 1.3075 1.2488 -0.0443 -0.1594 -0.0892 35 ASP x O +47759 C CB . ASP IA 34 ? 1.3487 1.2247 1.1724 -0.0519 -0.1566 -0.0924 35 ASP x CB +47760 C CG . ASP IA 34 ? 1.5305 1.3986 1.3431 -0.0467 -0.1547 -0.0893 35 ASP x CG +47761 O OD1 . ASP IA 34 ? 1.5478 1.4153 1.3549 -0.0427 -0.1581 -0.0895 35 ASP x OD1 +47762 O OD2 . ASP IA 34 ? 1.3445 1.2072 1.1541 -0.0467 -0.1496 -0.0865 35 ASP x OD2 +47763 N N . LYS IA 35 ? 1.3642 1.2606 1.1987 -0.0458 -0.1689 -0.0956 36 LYS x N +47764 C CA . LYS IA 35 ? 1.4218 1.3254 1.2609 -0.0423 -0.1699 -0.0939 36 LYS x CA +47765 C C . LYS IA 35 ? 1.6119 1.5098 1.4409 -0.0363 -0.1696 -0.0908 36 LYS x C +47766 O O . LYS IA 35 ? 1.8838 1.7738 1.7023 -0.0343 -0.1710 -0.0913 36 LYS x O +47767 C CB . LYS IA 35 ? 1.4731 1.3853 1.3186 -0.0427 -0.1761 -0.0977 36 LYS x CB +47768 C CG . LYS IA 35 ? 1.1015 1.0241 0.9609 -0.0468 -0.1759 -0.0991 36 LYS x CG +47769 C CD . LYS IA 35 ? 1.4415 1.3735 1.3068 -0.0449 -0.1815 -0.1015 36 LYS x CD +47770 C CE . LYS IA 35 ? 1.4519 1.3949 1.3314 -0.0487 -0.1813 -0.1030 36 LYS x CE +47771 N NZ . LYS IA 35 ? 1.4980 1.4421 1.3824 -0.0550 -0.1817 -0.1066 36 LYS x NZ +47772 N N . VAL IA 36 ? 1.8343 1.7361 1.6665 -0.0334 -0.1676 -0.0877 37 VAL x N +47773 C CA . VAL IA 36 ? 1.7697 1.6672 1.5935 -0.0277 -0.1674 -0.0847 37 VAL x CA +47774 C C . VAL IA 36 ? 1.8827 1.7839 1.7054 -0.0245 -0.1736 -0.0868 37 VAL x C +47775 O O . VAL IA 36 ? 1.7670 1.6772 1.5988 -0.0258 -0.1769 -0.0891 37 VAL x O +47776 C CB . VAL IA 36 ? 1.7690 1.6691 1.5969 -0.0261 -0.1628 -0.0807 37 VAL x CB +47777 C CG1 . VAL IA 36 ? 1.5700 1.4634 1.3878 -0.0210 -0.1610 -0.0772 37 VAL x CG1 +47778 C CG2 . VAL IA 36 ? 1.6644 1.5641 1.4973 -0.0302 -0.1575 -0.0795 37 VAL x CG2 +47779 N N . GLN IA 37 ? 2.0261 1.9205 1.8376 -0.0203 -0.1751 -0.0860 38 GLN x N +47780 C CA . GLN IA 37 ? 2.1814 2.0779 1.9899 -0.0166 -0.1810 -0.0876 38 GLN x CA +47781 C C . GLN IA 37 ? 2.0320 1.9279 1.8370 -0.0113 -0.1798 -0.0839 38 GLN x C +47782 O O . GLN IA 37 ? 1.9585 1.8482 1.7577 -0.0097 -0.1751 -0.0803 38 GLN x O +47783 C CB . GLN IA 37 ? 2.4039 2.2927 2.2016 -0.0157 -0.1842 -0.0898 38 GLN x CB +47784 C CG . GLN IA 37 ? 2.3157 2.2006 2.1130 -0.0207 -0.1832 -0.0922 38 GLN x CG +47785 C CD . GLN IA 37 ? 2.2922 2.1836 2.0968 -0.0245 -0.1882 -0.0971 38 GLN x CD +47786 O OE1 . GLN IA 37 ? 2.4086 2.3027 2.2120 -0.0226 -0.1940 -0.0996 38 GLN x OE1 +47787 N NE2 . GLN IA 37 ? 2.0220 1.9157 1.8340 -0.0299 -0.1859 -0.0984 38 GLN x NE2 +47788 N N . ARG IA 38 ? 1.9384 1.8407 1.7470 -0.0088 -0.1841 -0.0848 39 ARG x N +47789 C CA . ARG IA 38 ? 1.5656 1.4677 1.3712 -0.0037 -0.1835 -0.0815 39 ARG x CA +47790 C C . ARG IA 38 ? 1.8309 1.7318 1.6294 0.0007 -0.1894 -0.0829 39 ARG x C +47791 O O . ARG IA 38 ? 1.8442 1.7488 1.6441 0.0043 -0.1913 -0.0818 39 ARG x O +47792 C CB . ARG IA 38 ? 1.5954 1.5070 1.4130 -0.0044 -0.1823 -0.0806 39 ARG x CB +47793 C CG . ARG IA 38 ? 1.6237 1.5361 1.4474 -0.0081 -0.1761 -0.0785 39 ARG x CG +47794 C CD . ARG IA 38 ? 1.3908 1.3134 1.2272 -0.0094 -0.1757 -0.0785 39 ARG x CD +47795 N NE . ARG IA 38 ? 1.5228 1.4452 1.3632 -0.0114 -0.1694 -0.0754 39 ARG x NE +47796 C CZ . ARG IA 38 ? 1.4458 1.3691 1.2916 -0.0163 -0.1663 -0.0761 39 ARG x CZ +47797 N NH1 . ARG IA 38 ? 1.4838 1.4082 1.3319 -0.0200 -0.1687 -0.0798 39 ARG x NH1 +47798 N NH2 . ARG IA 38 ? 1.2346 1.1573 1.0832 -0.0175 -0.1608 -0.0731 39 ARG x NH2 +47799 N N . VAL JA 2 ? 1.7405 1.2884 1.3108 0.0386 -0.0234 -0.0536 18 VAL y N +47800 C CA . VAL JA 2 ? 1.6229 1.1811 1.2024 0.0338 -0.0249 -0.0528 18 VAL y CA +47801 C C . VAL JA 2 ? 1.7783 1.3367 1.3559 0.0309 -0.0273 -0.0550 18 VAL y C +47802 O O . VAL JA 2 ? 1.6070 1.1753 1.1905 0.0302 -0.0278 -0.0544 18 VAL y O +47803 C CB . VAL JA 2 ? 1.6032 1.1604 1.1868 0.0286 -0.0258 -0.0521 18 VAL y CB +47804 C CG1 . VAL JA 2 ? 1.3241 0.8938 0.9187 0.0278 -0.0252 -0.0494 18 VAL y CG1 +47805 C CG2 . VAL JA 2 ? 1.8517 1.3979 1.4289 0.0304 -0.0246 -0.0521 18 VAL y CG2 +47806 N N . ILE JA 3 ? 1.7743 1.3217 1.3434 0.0290 -0.0287 -0.0577 19 ILE y N +47807 C CA . ILE JA 3 ? 1.7841 1.3304 1.3497 0.0272 -0.0309 -0.0601 19 ILE y CA +47808 C C . ILE JA 3 ? 1.7957 1.3447 1.3584 0.0330 -0.0294 -0.0600 19 ILE y C +47809 O O . ILE JA 3 ? 1.6457 1.2004 1.2099 0.0323 -0.0306 -0.0606 19 ILE y O +47810 C CB . ILE JA 3 ? 2.0019 1.5351 1.5585 0.0245 -0.0326 -0.0631 19 ILE y CB +47811 C CG1 . ILE JA 3 ? 1.8532 1.3873 1.4140 0.0170 -0.0353 -0.0641 19 ILE y CG1 +47812 C CG2 . ILE JA 3 ? 1.7164 1.2443 1.2645 0.0268 -0.0334 -0.0656 19 ILE y CG2 +47813 C CD1 . ILE JA 3 ? 1.8969 1.4189 1.4494 0.0136 -0.0373 -0.0673 19 ILE y CD1 +47814 N N . ALA JA 4 ? 1.7056 1.2510 1.2642 0.0388 -0.0268 -0.0592 20 ALA y N +47815 C CA . ALA JA 4 ? 1.8628 1.4113 1.4191 0.0444 -0.0249 -0.0590 20 ALA y CA +47816 C C . ALA JA 4 ? 1.7002 1.2628 1.2663 0.0449 -0.0242 -0.0566 20 ALA y C +47817 O O . ALA JA 4 ? 1.5977 1.1648 1.1635 0.0463 -0.0242 -0.0569 20 ALA y O +47818 C CB . ALA JA 4 ? 1.7351 1.2778 1.2862 0.0505 -0.0221 -0.0584 20 ALA y CB +47819 N N . GLN JA 5 ? 1.7714 1.3409 1.3460 0.0437 -0.0235 -0.0542 21 GLN y N +47820 C CA . GLN JA 5 ? 1.6417 1.2244 1.2258 0.0440 -0.0227 -0.0519 21 GLN y CA +47821 C C . GLN JA 5 ? 1.3843 0.9724 0.9717 0.0396 -0.0253 -0.0527 21 GLN y C +47822 O O . GLN JA 5 ? 1.4399 1.0349 1.0294 0.0412 -0.0248 -0.0521 21 GLN y O +47823 C CB . GLN JA 5 ? 1.4262 1.0142 1.0183 0.0429 -0.0219 -0.0495 21 GLN y CB +47824 C CG . GLN JA 5 ? 1.3906 0.9794 0.9829 0.0486 -0.0189 -0.0478 21 GLN y CG +47825 C CD . GLN JA 5 ? 1.5472 1.1371 1.1446 0.0473 -0.0186 -0.0460 21 GLN y CD +47826 O OE1 . GLN JA 5 ? 1.5916 1.1790 1.1903 0.0422 -0.0204 -0.0464 21 GLN y OE1 +47827 N NE2 . GLN JA 5 ? 1.3721 0.9660 0.9724 0.0519 -0.0162 -0.0441 21 GLN y NE2 +47828 N N . LEU JA 6 ? 1.5192 1.1043 1.1072 0.0339 -0.0279 -0.0540 22 LEU y N +47829 C CA . LEU JA 6 ? 1.3884 0.9784 0.9796 0.0297 -0.0306 -0.0549 22 LEU y CA +47830 C C . LEU JA 6 ? 1.6721 1.2581 1.2557 0.0313 -0.0315 -0.0571 22 LEU y C +47831 O O . LEU JA 6 ? 1.5855 1.1780 1.1718 0.0303 -0.0327 -0.0571 22 LEU y O +47832 C CB . LEU JA 6 ? 1.3958 0.9830 0.9889 0.0233 -0.0332 -0.0560 22 LEU y CB +47833 C CG . LEU JA 6 ? 1.5427 1.1357 1.1446 0.0207 -0.0327 -0.0538 22 LEU y CG +47834 C CD1 . LEU JA 6 ? 1.3695 0.9640 0.9758 0.0139 -0.0355 -0.0548 22 LEU y CD1 +47835 C CD2 . LEU JA 6 ? 1.4078 1.0124 1.0177 0.0232 -0.0309 -0.0510 22 LEU y CD2 +47836 N N . THR JA 7 ? 1.3798 0.9550 0.9536 0.0339 -0.0310 -0.0589 23 THR y N +47837 C CA . THR JA 7 ? 1.4259 0.9967 0.9917 0.0357 -0.0317 -0.0610 23 THR y CA +47838 C C . THR JA 7 ? 1.3237 0.9007 0.8900 0.0411 -0.0292 -0.0596 23 THR y C +47839 O O . THR JA 7 ? 1.4958 1.0757 1.0607 0.0413 -0.0301 -0.0603 23 THR y O +47840 C CB . THR JA 7 ? 1.6500 1.2071 1.2050 0.0370 -0.0318 -0.0635 23 THR y CB +47841 O OG1 . THR JA 7 ? 1.3863 0.9378 0.9411 0.0315 -0.0341 -0.0648 23 THR y OG1 +47842 C CG2 . THR JA 7 ? 1.4983 1.0506 1.0448 0.0386 -0.0328 -0.0658 23 THR y CG2 +47843 N N . MET JA 8 ? 1.3931 0.9720 0.9611 0.0455 -0.0260 -0.0576 24 MET y N +47844 C CA . MET JA 8 ? 1.3449 0.9304 0.9143 0.0504 -0.0233 -0.0561 24 MET y CA +47845 C C . MET JA 8 ? 1.4486 1.0461 1.0268 0.0483 -0.0239 -0.0544 24 MET y C +47846 O O . MET JA 8 ? 1.4407 1.0421 1.0179 0.0503 -0.0232 -0.0543 24 MET y O +47847 C CB . MET JA 8 ? 1.5351 1.1218 1.1064 0.0550 -0.0200 -0.0542 24 MET y CB +47848 C CG . MET JA 8 ? 1.5044 1.0795 1.0672 0.0577 -0.0191 -0.0557 24 MET y CG +47849 S SD . MET JA 8 ? 1.9152 1.4801 1.4655 0.0595 -0.0199 -0.0589 24 MET y SD +47850 C CE . MET JA 8 ? 1.6095 1.1789 1.1585 0.0668 -0.0160 -0.0578 24 MET y CE +47851 N N . ILE JA 9 ? 1.3130 0.9164 0.8997 0.0443 -0.0250 -0.0530 25 ILE y N +47852 C CA . ILE JA 9 ? 1.5152 1.1299 1.1105 0.0425 -0.0254 -0.0513 25 ILE y CA +47853 C C . ILE JA 9 ? 1.3966 1.0112 0.9899 0.0391 -0.0285 -0.0530 25 ILE y C +47854 O O . ILE JA 9 ? 1.2705 0.8922 0.8666 0.0395 -0.0286 -0.0522 25 ILE y O +47855 C CB . ILE JA 9 ? 1.4243 1.0451 1.0291 0.0393 -0.0257 -0.0493 25 ILE y CB +47856 C CG1 . ILE JA 9 ? 1.5148 1.1476 1.1286 0.0380 -0.0258 -0.0473 25 ILE y CG1 +47857 C CG2 . ILE JA 9 ? 1.4887 1.1043 1.0931 0.0340 -0.0285 -0.0508 25 ILE y CG2 +47858 C CD1 . ILE JA 9 ? 1.3482 0.9873 0.9639 0.0429 -0.0226 -0.0454 25 ILE y CD1 +47859 N N . ALA JA 10 ? 1.2823 0.8888 0.8706 0.0358 -0.0312 -0.0555 26 ALA y N +47860 C CA . ALA JA 10 ? 1.6549 1.2604 1.2403 0.0329 -0.0344 -0.0576 26 ALA y CA +47861 C C . ALA JA 10 ? 1.5600 1.1632 1.1379 0.0369 -0.0336 -0.0585 26 ALA y C +47862 O O . ALA JA 10 ? 1.4357 1.0438 1.0146 0.0364 -0.0348 -0.0585 26 ALA y O +47863 C CB . ALA JA 10 ? 1.3975 0.9940 0.9785 0.0288 -0.0372 -0.0602 26 ALA y CB +47864 N N . MET JA 11 ? 1.2286 0.8241 0.7987 0.0412 -0.0315 -0.0593 27 MET y N +47865 C CA . MET JA 11 ? 1.3072 0.9002 0.8699 0.0453 -0.0303 -0.0602 27 MET y CA +47866 C C . MET JA 11 ? 1.4387 1.0415 1.0065 0.0485 -0.0276 -0.0576 27 MET y C +47867 O O . MET JA 11 ? 1.4794 1.0848 1.0452 0.0492 -0.0281 -0.0578 27 MET y O +47868 C CB . MET JA 11 ? 1.4979 1.0808 1.0517 0.0494 -0.0283 -0.0614 27 MET y CB +47869 C CG . MET JA 11 ? 1.7810 1.3526 1.3275 0.0467 -0.0309 -0.0644 27 MET y CG +47870 S SD . MET JA 11 ? 2.2837 1.8434 1.8200 0.0518 -0.0284 -0.0657 27 MET y SD +47871 C CE . MET JA 11 ? 1.7669 1.3271 1.2966 0.0574 -0.0262 -0.0660 27 MET y CE +47872 N N . ILE JA 12 ? 1.3169 0.9250 0.8910 0.0504 -0.0249 -0.0552 28 ILE y N +47873 C CA . ILE JA 12 ? 1.3619 0.9799 0.9419 0.0530 -0.0222 -0.0526 28 ILE y CA +47874 C C . ILE JA 12 ? 1.2503 0.8768 0.8371 0.0493 -0.0243 -0.0516 28 ILE y C +47875 O O . ILE JA 12 ? 1.2161 0.8478 0.8034 0.0507 -0.0235 -0.0508 28 ILE y O +47876 C CB . ILE JA 12 ? 1.4166 1.0386 1.0026 0.0553 -0.0193 -0.0504 28 ILE y CB +47877 C CG1 . ILE JA 12 ? 1.2325 0.8477 0.8115 0.0605 -0.0166 -0.0511 28 ILE y CG1 +47878 C CG2 . ILE JA 12 ? 1.2672 0.9012 0.8621 0.0561 -0.0174 -0.0476 28 ILE y CG2 +47879 C CD1 . ILE JA 12 ? 1.4377 1.0547 1.0214 0.0625 -0.0144 -0.0494 28 ILE y CD1 +47880 N N . GLY JA 13 ? 1.3810 1.0090 0.9731 0.0444 -0.0270 -0.0518 29 GLY y N +47881 C CA . GLY JA 13 ? 1.2721 0.9084 0.8712 0.0409 -0.0290 -0.0508 29 GLY y CA +47882 C C . GLY JA 13 ? 1.4621 1.0966 1.0560 0.0398 -0.0315 -0.0526 29 GLY y C +47883 O O . GLY JA 13 ? 1.2541 0.8957 0.8517 0.0393 -0.0320 -0.0515 29 GLY y O +47884 N N . ILE JA 14 ? 1.4637 1.0886 1.0488 0.0396 -0.0333 -0.0554 30 ILE y N +47885 C CA . ILE JA 14 ? 1.3738 0.9965 0.9537 0.0383 -0.0361 -0.0573 30 ILE y CA +47886 C C . ILE JA 14 ? 1.3374 0.9597 0.9111 0.0429 -0.0340 -0.0571 30 ILE y C +47887 O O . ILE JA 14 ? 1.2412 0.8645 0.8123 0.0424 -0.0358 -0.0578 30 ILE y O +47888 C CB . ILE JA 14 ? 1.5614 1.1741 1.1344 0.0358 -0.0391 -0.0606 30 ILE y CB +47889 C CG1 . ILE JA 14 ? 1.5633 1.1774 1.1368 0.0316 -0.0435 -0.0622 30 ILE y CG1 +47890 C CG2 . ILE JA 14 ? 1.3633 0.9664 0.9249 0.0398 -0.0378 -0.0624 30 ILE y CG2 +47891 C CD1 . ILE JA 14 ? 1.5460 1.1692 1.1306 0.0273 -0.0450 -0.0607 30 ILE y CD1 +47892 N N . ALA JA 15 ? 1.2180 0.8391 0.7896 0.0475 -0.0300 -0.0561 31 ALA y N +47893 C CA . ALA JA 15 ? 1.2304 0.8506 0.7958 0.0521 -0.0276 -0.0559 31 ALA y CA +47894 C C . ALA JA 15 ? 1.3330 0.9622 0.9031 0.0520 -0.0273 -0.0540 31 ALA y C +47895 O O . ALA JA 15 ? 1.3547 0.9826 0.9189 0.0538 -0.0272 -0.0546 31 ALA y O +47896 C CB . ALA JA 15 ? 1.2069 0.8260 0.7712 0.0568 -0.0233 -0.0549 31 ALA y CB +47897 N N . GLY JA 16 ? 1.3470 0.9852 0.9275 0.0500 -0.0270 -0.0517 32 GLY y N +47898 C CA . GLY JA 16 ? 1.0874 0.7345 0.6731 0.0499 -0.0264 -0.0496 32 GLY y CA +47899 C C . GLY JA 16 ? 1.2366 0.8834 0.8196 0.0474 -0.0301 -0.0509 32 GLY y C +47900 O O . GLY JA 16 ? 1.1519 0.7984 0.7297 0.0496 -0.0295 -0.0509 32 GLY y O +47901 N N . PRO JA 17 ? 1.1787 0.8257 0.7651 0.0428 -0.0340 -0.0520 33 PRO y N +47902 C CA . PRO JA 17 ? 1.3256 0.9722 0.9095 0.0404 -0.0379 -0.0535 33 PRO y CA +47903 C C . PRO JA 17 ? 1.4844 1.1219 1.0564 0.0422 -0.0390 -0.0561 33 PRO y C +47904 O O . PRO JA 17 ? 1.3846 1.0222 0.9528 0.0422 -0.0409 -0.0568 33 PRO y O +47905 C CB . PRO JA 17 ? 1.2440 0.8913 0.8335 0.0353 -0.0415 -0.0545 33 PRO y CB +47906 C CG . PRO JA 17 ? 1.3764 1.0277 0.9737 0.0350 -0.0390 -0.0525 33 PRO y CG +47907 C CD . PRO JA 17 ? 1.1522 0.7996 0.7447 0.0397 -0.0349 -0.0520 33 PRO y CD +47908 N N . MET JA 18 ? 1.3286 0.9580 0.8946 0.0438 -0.0379 -0.0577 34 MET y N +47909 C CA . MET JA 18 ? 1.2181 0.8382 0.7723 0.0459 -0.0386 -0.0602 34 MET y CA +47910 C C . MET JA 18 ? 1.3772 0.9984 0.9265 0.0500 -0.0361 -0.0592 34 MET y C +47911 O O . MET JA 18 ? 1.2591 0.8762 0.8008 0.0506 -0.0380 -0.0609 34 MET y O +47912 C CB . MET JA 18 ? 1.3548 0.9667 0.9041 0.0476 -0.0370 -0.0616 34 MET y CB +47913 C CG . MET JA 18 ? 1.6266 1.2288 1.1635 0.0504 -0.0370 -0.0640 34 MET y CG +47914 S SD . MET JA 18 ? 1.9402 1.5337 1.4713 0.0462 -0.0424 -0.0679 34 MET y SD +47915 C CE . MET JA 18 ? 1.7955 1.3819 1.3258 0.0462 -0.0410 -0.0687 34 MET y CE +47916 N N . ILE JA 19 ? 1.3449 0.9716 0.8984 0.0530 -0.0317 -0.0566 35 ILE y N +47917 C CA . ILE JA 19 ? 1.3338 0.9625 0.8835 0.0567 -0.0290 -0.0554 35 ILE y CA +47918 C C . ILE JA 19 ? 1.3505 0.9844 0.9023 0.0547 -0.0315 -0.0547 35 ILE y C +47919 O O . ILE JA 19 ? 1.3963 1.0274 0.9406 0.0564 -0.0318 -0.0554 35 ILE y O +47920 C CB . ILE JA 19 ? 1.2514 0.8858 0.8064 0.0598 -0.0239 -0.0526 35 ILE y CB +47921 C CG1 . ILE JA 19 ? 1.3490 0.9780 0.9017 0.0621 -0.0217 -0.0534 35 ILE y CG1 +47922 C CG2 . ILE JA 19 ? 1.1865 0.8228 0.7374 0.0635 -0.0208 -0.0514 35 ILE y CG2 +47923 C CD1 . ILE JA 19 ? 1.3636 0.9985 0.9217 0.0653 -0.0169 -0.0509 35 ILE y CD1 +47924 N N . ILE JA 20 ? 1.2083 0.8495 0.7699 0.0511 -0.0332 -0.0534 36 ILE y N +47925 C CA . ILE JA 20 ? 1.2970 0.9433 0.8608 0.0493 -0.0357 -0.0527 36 ILE y CA +47926 C C . ILE JA 20 ? 1.3701 1.0105 0.9272 0.0473 -0.0404 -0.0556 36 ILE y C +47927 O O . ILE JA 20 ? 1.2672 0.9076 0.8198 0.0479 -0.0419 -0.0559 36 ILE y O +47928 C CB . ILE JA 20 ? 1.2306 0.8860 0.8066 0.0459 -0.0365 -0.0507 36 ILE y CB +47929 C CG1 . ILE JA 20 ? 1.2672 0.9291 0.8498 0.0481 -0.0318 -0.0477 36 ILE y CG1 +47930 C CG2 . ILE JA 20 ? 1.1476 0.8076 0.7258 0.0438 -0.0396 -0.0503 36 ILE y CG2 +47931 C CD1 . ILE JA 20 ? 1.2202 0.8822 0.7979 0.0524 -0.0279 -0.0464 36 ILE y CD1 +47932 N N . PHE JA 21 ? 1.3154 0.9504 0.8712 0.0449 -0.0430 -0.0580 37 PHE y N +47933 C CA . PHE JA 21 ? 1.3715 1.0008 0.9211 0.0427 -0.0477 -0.0611 37 PHE y CA +47934 C C . PHE JA 21 ? 1.3874 1.0087 0.9246 0.0462 -0.0472 -0.0628 37 PHE y C +47935 O O . PHE JA 21 ? 1.3395 0.9593 0.8716 0.0459 -0.0502 -0.0640 37 PHE y O +47936 C CB . PHE JA 21 ? 1.6090 1.2341 1.1603 0.0394 -0.0500 -0.0632 37 PHE y CB +47937 C CG . PHE JA 21 ? 1.6207 1.2396 1.1661 0.0368 -0.0548 -0.0666 37 PHE y CG +47938 C CD1 . PHE JA 21 ? 1.6559 1.2794 1.2062 0.0329 -0.0592 -0.0673 37 PHE y CD1 +47939 C CD2 . PHE JA 21 ? 1.5382 1.1470 1.0734 0.0382 -0.0551 -0.0692 37 PHE y CD2 +47940 C CE1 . PHE JA 21 ? 1.5739 1.1921 1.1191 0.0304 -0.0638 -0.0706 37 PHE y CE1 +47941 C CE2 . PHE JA 21 ? 1.5304 1.1335 1.0602 0.0357 -0.0597 -0.0725 37 PHE y CE2 +47942 C CZ . PHE JA 21 ? 1.5561 1.1641 1.0911 0.0317 -0.0641 -0.0732 37 PHE y CZ +47943 N N . LEU JA 22 ? 1.2970 0.9131 0.8290 0.0497 -0.0435 -0.0629 38 LEU y N +47944 C CA . LEU JA 22 ? 1.4036 1.0120 0.9236 0.0534 -0.0426 -0.0644 38 LEU y CA +47945 C C . LEU JA 22 ? 1.4255 1.0376 0.9432 0.0557 -0.0413 -0.0628 38 LEU y C +47946 O O . LEU JA 22 ? 1.4980 1.1054 1.0071 0.0565 -0.0434 -0.0644 38 LEU y O +47947 C CB . LEU JA 22 ? 1.4908 1.0945 1.0071 0.0571 -0.0382 -0.0643 38 LEU y CB +47948 C CG . LEU JA 22 ? 1.5224 1.1196 1.0377 0.0556 -0.0392 -0.0663 38 LEU y CG +47949 C CD1 . LEU JA 22 ? 1.2814 0.8738 0.7921 0.0601 -0.0347 -0.0662 38 LEU y CD1 +47950 C CD2 . LEU JA 22 ? 1.2741 0.8634 0.7822 0.0532 -0.0439 -0.0698 38 LEU y CD2 +47951 N N . LEU JA 23 ? 1.3625 0.9829 0.8875 0.0568 -0.0379 -0.0596 39 LEU y N +47952 C CA . LEU JA 23 ? 1.4223 1.0462 0.9453 0.0588 -0.0365 -0.0578 39 LEU y CA +47953 C C . LEU JA 23 ? 1.4029 1.0298 0.9275 0.0558 -0.0412 -0.0582 39 LEU y C +47954 O O . LEU JA 23 ? 1.2965 0.9221 0.8148 0.0573 -0.0418 -0.0582 39 LEU y O +47955 C CB . LEU JA 23 ? 1.2073 0.8395 0.7384 0.0603 -0.0319 -0.0544 39 LEU y CB +47956 C CG . LEU JA 23 ? 1.5666 1.1961 1.0944 0.0645 -0.0266 -0.0538 39 LEU y CG +47957 C CD1 . LEU JA 23 ? 1.3453 0.9837 0.8828 0.0653 -0.0225 -0.0506 39 LEU y CD1 +47958 C CD2 . LEU JA 23 ? 1.3390 0.9629 0.8554 0.0682 -0.0249 -0.0546 39 LEU y CD2 +47959 N N . ALA JA 24 ? 1.3674 0.9982 0.9002 0.0516 -0.0446 -0.0585 40 ALA y N +47960 C CA . ALA JA 24 ? 1.3377 0.9714 0.8723 0.0487 -0.0493 -0.0591 40 ALA y CA +47961 C C . ALA JA 24 ? 1.5636 1.1891 1.0876 0.0487 -0.0531 -0.0624 40 ALA y C +47962 O O . ALA JA 24 ? 1.5026 1.1284 1.0227 0.0491 -0.0554 -0.0626 40 ALA y O +47963 C CB . ALA JA 24 ? 1.2306 0.8696 0.7758 0.0441 -0.0520 -0.0592 40 ALA y CB +47964 N N . VAL JA 25 ? 1.4731 1.0909 0.9919 0.0485 -0.0539 -0.0650 41 VAL y N +47965 C CA . VAL JA 25 ? 1.5440 1.1540 1.0532 0.0480 -0.0580 -0.0684 41 VAL y CA +47966 C C . VAL JA 25 ? 1.6274 1.2320 1.1251 0.0524 -0.0561 -0.0686 41 VAL y C +47967 O O . VAL JA 25 ? 1.5804 1.1825 1.0719 0.0524 -0.0595 -0.0701 41 VAL y O +47968 C CB . VAL JA 25 ? 1.5352 1.1381 1.0421 0.0464 -0.0591 -0.0711 41 VAL y CB +47969 C CG1 . VAL JA 25 ? 2.0248 1.6194 1.5215 0.0459 -0.0633 -0.0748 41 VAL y CG1 +47970 C CG2 . VAL JA 25 ? 1.6219 1.2299 1.1398 0.0419 -0.0610 -0.0710 41 VAL y CG2 +47971 N N . ARG JA 26 ? 1.5119 1.1149 1.0068 0.0562 -0.0508 -0.0671 42 ARG y N +47972 C CA . ARG JA 26 ? 1.3129 0.9112 0.7972 0.0605 -0.0484 -0.0671 42 ARG y CA +47973 C C . ARG JA 26 ? 1.5438 1.1489 1.0307 0.0623 -0.0457 -0.0639 42 ARG y C +47974 O O . ARG JA 26 ? 1.4229 1.0253 0.9027 0.0662 -0.0421 -0.0631 42 ARG y O +47975 C CB . ARG JA 26 ? 1.4203 1.0124 0.8990 0.0639 -0.0441 -0.0676 42 ARG y CB +47976 C CG . ARG JA 26 ? 1.5893 1.1872 1.0760 0.0653 -0.0390 -0.0648 42 ARG y CG +47977 C CD . ARG JA 26 ? 1.8567 1.4480 1.3395 0.0673 -0.0365 -0.0662 42 ARG y CD +47978 N NE . ARG JA 26 ? 2.0265 1.6112 1.4981 0.0719 -0.0335 -0.0669 42 ARG y NE +47979 C CZ . ARG JA 26 ? 2.1772 1.7547 1.6427 0.0744 -0.0314 -0.0684 42 ARG y CZ +47980 N NH1 . ARG JA 26 ? 1.9909 1.5663 1.4600 0.0728 -0.0320 -0.0694 42 ARG y NH1 +47981 N NH2 . ARG JA 26 ? 2.1257 1.6978 1.5811 0.0787 -0.0285 -0.0690 42 ARG y NH2 +47982 N N . ARG JA 27 ? 1.6992 1.3127 1.1960 0.0595 -0.0474 -0.0621 43 ARG y N +47983 C CA . ARG JA 27 ? 1.4779 1.0980 0.9777 0.0604 -0.0457 -0.0592 43 ARG y CA +47984 C C . ARG JA 27 ? 1.4288 1.0503 0.9278 0.0642 -0.0392 -0.0567 43 ARG y C +47985 O O . ARG JA 27 ? 1.4315 1.0525 0.9248 0.0669 -0.0371 -0.0555 43 ARG y O +47986 C CB . ARG JA 27 ? 1.4948 1.1119 0.9865 0.0609 -0.0492 -0.0603 43 ARG y CB +47987 C CG . ARG JA 27 ? 1.7287 1.3466 1.2233 0.0569 -0.0557 -0.0624 43 ARG y CG +47988 C CD . ARG JA 27 ? 2.0160 1.6304 1.5019 0.0576 -0.0595 -0.0637 43 ARG y CD +47989 N NE . ARG JA 27 ? 2.2337 1.8483 1.7217 0.0540 -0.0659 -0.0663 43 ARG y NE +47990 C CZ . ARG JA 27 ? 2.1384 1.7490 1.6189 0.0540 -0.0703 -0.0684 43 ARG y CZ +47991 N NH1 . ARG JA 27 ? 1.7494 1.3550 1.2190 0.0576 -0.0692 -0.0683 43 ARG y NH1 +47992 N NH2 . ARG JA 27 ? 1.8055 1.4172 1.2892 0.0504 -0.0761 -0.0707 43 ARG y NH2 +47993 N N . GLY JA 28 ? 1.4653 1.0891 0.9706 0.0644 -0.0360 -0.0558 44 GLY y N +47994 C CA . GLY JA 28 ? 1.3188 0.9452 0.8252 0.0677 -0.0299 -0.0535 44 GLY y CA +47995 C C . GLY JA 28 ? 1.3385 0.9743 0.8534 0.0672 -0.0278 -0.0500 44 GLY y C +47996 O O . GLY JA 28 ? 1.2055 0.8460 0.7255 0.0644 -0.0310 -0.0494 44 GLY y O +47997 N N . ASN JA 29 ? 1.3090 0.9477 0.8255 0.0700 -0.0222 -0.0479 45 ASN y N +47998 C CA . ASN JA 29 ? 1.4023 1.0496 0.9265 0.0699 -0.0193 -0.0446 45 ASN y CA +47999 C C . ASN JA 29 ? 1.5880 1.2429 1.1253 0.0670 -0.0196 -0.0433 45 ASN y C +48000 O O . ASN JA 29 ? 1.2432 0.9029 0.7867 0.0680 -0.0155 -0.0414 45 ASN y O +48001 C CB . ASN JA 29 ? 1.3147 0.9621 0.8356 0.0739 -0.0131 -0.0431 45 ASN y CB +48002 C CG . ASN JA 29 ? 1.5429 1.1919 1.0602 0.0751 -0.0115 -0.0413 45 ASN y CG +48003 O OD1 . ASN JA 29 ? 1.6519 1.3083 1.1766 0.0744 -0.0093 -0.0386 45 ASN y OD1 +48004 N ND2 . ASN JA 29 ? 2.2051 1.8469 1.7107 0.0769 -0.0125 -0.0427 45 ASN y ND2 +48005 N N . LEU JA 30 ? 1.2235 0.8797 0.7649 0.0633 -0.0246 -0.0442 46 LEU y N +48006 C CA . LEU JA 30 ? 1.2581 0.9216 0.8117 0.0603 -0.0253 -0.0429 46 LEU y CA +48007 C C . LEU JA 30 ? 1.4739 1.1458 1.0343 0.0600 -0.0233 -0.0397 46 LEU y C +48008 O O . LEU JA 30 ? 1.2750 0.9537 0.8456 0.0583 -0.0223 -0.0380 46 LEU y O +48009 C CB . LEU JA 30 ? 1.1866 0.8496 0.7428 0.0564 -0.0310 -0.0448 46 LEU y CB +48010 C CG . LEU JA 30 ? 1.2752 0.9315 0.8282 0.0555 -0.0330 -0.0476 46 LEU y CG +48011 C CD1 . LEU JA 30 ? 1.2404 0.8977 0.7976 0.0512 -0.0385 -0.0492 46 LEU y CD1 +48012 C CD2 . LEU JA 30 ? 1.2056 0.8631 0.7635 0.0565 -0.0294 -0.0468 46 LEU y CD2 +48013 O OXT . LEU JA 30 ? 1.2827 0.9544 0.8383 0.0613 -0.0226 -0.0388 46 LEU y OXT +48014 N N . MET KA 1 ? 1.3882 1.0104 1.0537 0.0870 0.0224 -0.0790 1 MET Z N +48015 C CA . MET KA 1 ? 1.6416 1.2736 1.3164 0.0898 0.0242 -0.0774 1 MET Z CA +48016 C C . MET KA 1 ? 1.5940 1.2336 1.2772 0.0855 0.0221 -0.0745 1 MET Z C +48017 O O . MET KA 1 ? 1.3006 0.9434 0.9896 0.0867 0.0215 -0.0731 1 MET Z O +48018 C CB . MET KA 1 ? 1.5340 1.1741 1.2115 0.0930 0.0284 -0.0779 1 MET Z CB +48019 C CG . MET KA 1 ? 1.2098 0.8612 0.8976 0.0956 0.0304 -0.0763 1 MET Z CG +48020 S SD . MET KA 1 ? 1.7435 1.3912 1.4315 0.1019 0.0311 -0.0771 1 MET Z SD +48021 C CE . MET KA 1 ? 1.4230 1.0682 1.1052 0.1076 0.0354 -0.0801 1 MET Z CE +48022 N N . THR KA 2 ? 1.2705 0.9129 0.9541 0.0806 0.0208 -0.0738 2 THR Z N +48023 C CA . THR KA 2 ? 1.3896 1.0381 1.0802 0.0760 0.0185 -0.0713 2 THR Z CA +48024 C C . THR KA 2 ? 1.2051 0.8472 0.8951 0.0744 0.0152 -0.0706 2 THR Z C +48025 O O . THR KA 2 ? 1.5769 1.2244 1.2739 0.0731 0.0141 -0.0685 2 THR Z O +48026 C CB . THR KA 2 ? 1.5447 1.1947 1.2339 0.0710 0.0172 -0.0711 2 THR Z CB +48027 O OG1 . THR KA 2 ? 1.4891 1.1458 1.1796 0.0724 0.0203 -0.0713 2 THR Z OG1 +48028 C CG2 . THR KA 2 ? 1.5064 1.1623 1.2025 0.0663 0.0146 -0.0685 2 THR Z CG2 +48029 N N . ILE KA 3 ? 1.7071 1.3374 1.3884 0.0747 0.0138 -0.0724 3 ILE Z N +48030 C CA . ILE KA 3 ? 1.5648 1.1880 1.2447 0.0731 0.0109 -0.0719 3 ILE Z CA +48031 C C . ILE KA 3 ? 1.5934 1.2173 1.2766 0.0778 0.0120 -0.0713 3 ILE Z C +48032 O O . ILE KA 3 ? 1.6255 1.2500 1.3127 0.0764 0.0102 -0.0695 3 ILE Z O +48033 C CB . ILE KA 3 ? 1.6997 1.3099 1.3692 0.0719 0.0092 -0.0742 3 ILE Z CB +48034 C CG1 . ILE KA 3 ? 1.6825 1.2905 1.3514 0.0653 0.0056 -0.0735 3 ILE Z CG1 +48035 C CG2 . ILE KA 3 ? 1.8616 1.4621 1.5263 0.0755 0.0090 -0.0752 3 ILE Z CG2 +48036 C CD1 . ILE KA 3 ? 1.7369 1.3536 1.4098 0.0618 0.0056 -0.0726 3 ILE Z CD1 +48037 N N . LEU KA 4 ? 1.4228 1.0466 1.1044 0.0835 0.0150 -0.0727 4 LEU Z N +48038 C CA . LEU KA 4 ? 1.3965 1.0220 1.0817 0.0884 0.0161 -0.0722 4 LEU Z CA +48039 C C . LEU KA 4 ? 1.5341 1.1718 1.2302 0.0876 0.0163 -0.0696 4 LEU Z C +48040 O O . LEU KA 4 ? 1.1940 0.8318 0.8935 0.0882 0.0150 -0.0681 4 LEU Z O +48041 C CB . LEU KA 4 ? 1.4224 1.0478 1.1050 0.0945 0.0196 -0.0742 4 LEU Z CB +48042 C CG . LEU KA 4 ? 1.3894 1.0108 1.0707 0.1007 0.0207 -0.0751 4 LEU Z CG +48043 C CD1 . LEU KA 4 ? 1.5811 1.2037 1.2600 0.1058 0.0244 -0.0773 4 LEU Z CD1 +48044 C CD2 . LEU KA 4 ? 1.5988 1.2281 1.2890 0.1024 0.0206 -0.0730 4 LEU Z CD2 +48045 N N . PHE KA 5 ? 1.3930 1.0406 1.0942 0.0862 0.0179 -0.0690 5 PHE Z N +48046 C CA . PHE KA 5 ? 1.3558 1.0152 1.0672 0.0852 0.0181 -0.0666 5 PHE Z CA +48047 C C . PHE KA 5 ? 1.4029 1.0618 1.1169 0.0802 0.0147 -0.0645 5 PHE Z C +48048 O O . PHE KA 5 ? 1.2172 0.8798 0.9369 0.0809 0.0140 -0.0628 5 PHE Z O +48049 C CB . PHE KA 5 ? 1.2285 0.8972 0.9436 0.0838 0.0203 -0.0664 5 PHE Z CB +48050 C CG . PHE KA 5 ? 1.2182 0.8977 0.9426 0.0807 0.0197 -0.0639 5 PHE Z CG +48051 C CD1 . PHE KA 5 ? 1.2803 0.9692 1.0128 0.0836 0.0215 -0.0629 5 PHE Z CD1 +48052 C CD2 . PHE KA 5 ? 1.2254 0.9056 0.9503 0.0750 0.0174 -0.0627 5 PHE Z CD2 +48053 C CE1 . PHE KA 5 ? 1.1708 0.8694 0.9117 0.0808 0.0210 -0.0607 5 PHE Z CE1 +48054 C CE2 . PHE KA 5 ? 1.3461 1.0359 1.0793 0.0722 0.0169 -0.0604 5 PHE Z CE2 +48055 C CZ . PHE KA 5 ? 1.1285 0.8274 0.8696 0.0751 0.0187 -0.0594 5 PHE Z CZ +48056 N N . GLN KA 6 ? 1.3899 1.0441 1.0997 0.0752 0.0126 -0.0647 6 GLN Z N +48057 C CA . GLN KA 6 ? 1.2628 0.9168 0.9752 0.0703 0.0095 -0.0628 6 GLN Z CA +48058 C C . GLN KA 6 ? 1.4542 1.1001 1.1640 0.0713 0.0077 -0.0625 6 GLN Z C +48059 O O . GLN KA 6 ? 1.2557 0.9038 0.9700 0.0690 0.0060 -0.0605 6 GLN Z O +48060 C CB . GLN KA 6 ? 1.3518 1.0020 1.0597 0.0651 0.0076 -0.0634 6 GLN Z CB +48061 C CG . GLN KA 6 ? 1.5856 1.2454 1.2979 0.0628 0.0086 -0.0627 6 GLN Z CG +48062 C CD . GLN KA 6 ? 1.7809 1.4368 1.4882 0.0582 0.0068 -0.0635 6 GLN Z CD +48063 O OE1 . GLN KA 6 ? 1.6973 1.3431 1.3974 0.0569 0.0049 -0.0650 6 GLN Z OE1 +48064 N NE2 . GLN KA 6 ? 1.5862 1.2499 1.2972 0.0558 0.0072 -0.0627 6 GLN Z NE2 +48065 N N . LEU KA 7 ? 1.2637 0.8999 0.9661 0.0748 0.0082 -0.0645 7 LEU Z N +48066 C CA . LEU KA 7 ? 1.4095 1.0375 1.1090 0.0763 0.0068 -0.0643 7 LEU Z CA +48067 C C . LEU KA 7 ? 1.2433 0.8774 0.9492 0.0806 0.0079 -0.0630 7 LEU Z C +48068 O O . LEU KA 7 ? 1.1587 0.7915 0.8667 0.0798 0.0062 -0.0613 7 LEU Z O +48069 C CB . LEU KA 7 ? 1.5281 1.1439 1.2177 0.0792 0.0072 -0.0669 7 LEU Z CB +48070 C CG . LEU KA 7 ? 1.7121 1.3184 1.3940 0.0747 0.0051 -0.0682 7 LEU Z CG +48071 C CD1 . LEU KA 7 ? 1.6659 1.2593 1.3382 0.0779 0.0052 -0.0705 7 LEU Z CD1 +48072 C CD2 . LEU KA 7 ? 1.5950 1.2003 1.2791 0.0690 0.0021 -0.0663 7 LEU Z CD2 +48073 N N . ALA KA 8 ? 1.2569 0.8974 0.9657 0.0853 0.0108 -0.0637 8 ALA Z N +48074 C CA . ALA KA 8 ? 1.2316 0.8790 0.9471 0.0895 0.0118 -0.0626 8 ALA Z CA +48075 C C . ALA KA 8 ? 1.3961 1.0528 1.1202 0.0859 0.0105 -0.0599 8 ALA Z C +48076 O O . ALA KA 8 ? 1.1491 0.8068 0.8767 0.0872 0.0095 -0.0584 8 ALA Z O +48077 C CB . ALA KA 8 ? 1.0226 0.6770 0.7408 0.0943 0.0152 -0.0639 8 ALA Z CB +48078 N N . LEU KA 9 ? 1.1696 0.8326 0.8969 0.0815 0.0105 -0.0592 9 LEU Z N +48079 C CA . LEU KA 9 ? 1.1439 0.8159 0.8792 0.0781 0.0094 -0.0568 9 LEU Z CA +48080 C C . LEU KA 9 ? 1.1688 0.8350 0.9028 0.0743 0.0063 -0.0553 9 LEU Z C +48081 O O . LEU KA 9 ? 1.2632 0.9336 1.0026 0.0742 0.0054 -0.0534 9 LEU Z O +48082 C CB . LEU KA 9 ? 1.1154 0.7947 0.8536 0.0744 0.0102 -0.0565 9 LEU Z CB +48083 C CG . LEU KA 9 ? 1.3107 1.0011 1.0580 0.0715 0.0098 -0.0542 9 LEU Z CG +48084 C CD1 . LEU KA 9 ? 1.1362 0.8336 0.8905 0.0754 0.0107 -0.0531 9 LEU Z CD1 +48085 C CD2 . LEU KA 9 ? 1.2250 0.9229 0.9747 0.0696 0.0115 -0.0544 9 LEU Z CD2 +48086 N N . ALA KA 10 ? 1.1914 0.8480 0.9183 0.0712 0.0047 -0.0562 10 ALA Z N +48087 C CA . ALA KA 10 ? 1.2553 0.9058 0.9807 0.0677 0.0020 -0.0549 10 ALA Z CA +48088 C C . ALA KA 10 ? 1.3595 1.0042 1.0831 0.0718 0.0017 -0.0546 10 ALA Z C +48089 O O . ALA KA 10 ? 1.2107 0.8547 0.9365 0.0701 0.0000 -0.0528 10 ALA Z O +48090 C CB . ALA KA 10 ? 1.1574 0.7985 0.8753 0.0637 0.0003 -0.0563 10 ALA Z CB +48091 N N . ALA KA 11 ? 1.1052 0.7456 0.8247 0.0772 0.0033 -0.0564 11 ALA Z N +48092 C CA . ALA KA 11 ? 1.2050 0.8408 0.9233 0.0818 0.0031 -0.0561 11 ALA Z CA +48093 C C . ALA KA 11 ? 1.1839 0.8303 0.9112 0.0834 0.0034 -0.0540 11 ALA Z C +48094 O O . ALA KA 11 ? 1.2189 0.8629 0.9470 0.0839 0.0020 -0.0525 11 ALA Z O +48095 C CB . ALA KA 11 ? 1.1408 0.7717 0.8539 0.0878 0.0051 -0.0584 11 ALA Z CB +48096 N N . LEU KA 12 ? 1.2586 0.9166 0.9926 0.0842 0.0052 -0.0539 12 LEU Z N +48097 C CA . LEU KA 12 ? 1.1786 0.8472 0.9215 0.0856 0.0055 -0.0521 12 LEU Z CA +48098 C C . LEU KA 12 ? 1.1107 0.7817 0.8574 0.0804 0.0032 -0.0497 12 LEU Z C +48099 O O . LEU KA 12 ? 1.0229 0.6962 0.7733 0.0816 0.0023 -0.0481 12 LEU Z O +48100 C CB . LEU KA 12 ? 1.0872 0.7672 0.8361 0.0867 0.0080 -0.0527 12 LEU Z CB +48101 C CG . LEU KA 12 ? 1.0564 0.7487 0.8151 0.0880 0.0085 -0.0511 12 LEU Z CG +48102 C CD1 . LEU KA 12 ? 0.9301 0.6216 0.6898 0.0938 0.0086 -0.0511 12 LEU Z CD1 +48103 C CD2 . LEU KA 12 ? 1.0418 0.7445 0.8055 0.0883 0.0112 -0.0518 12 LEU Z CD2 +48104 N N . VAL KA 13 ? 1.0301 0.7002 0.7755 0.0748 0.0023 -0.0495 13 VAL Z N +48105 C CA . VAL KA 13 ? 1.1474 0.8194 0.8960 0.0697 0.0002 -0.0473 13 VAL Z CA +48106 C C . VAL KA 13 ? 1.2043 0.8665 0.9485 0.0695 -0.0017 -0.0466 13 VAL Z C +48107 O O . VAL KA 13 ? 1.1640 0.8286 0.9120 0.0689 -0.0028 -0.0446 13 VAL Z O +48108 C CB . VAL KA 13 ? 1.1661 0.8385 0.9137 0.0639 -0.0005 -0.0476 13 VAL Z CB +48109 C CG1 . VAL KA 13 ? 1.1039 0.7752 0.8529 0.0586 -0.0029 -0.0457 13 VAL Z CG1 +48110 C CG2 . VAL KA 13 ? 1.0455 0.7293 0.7991 0.0637 0.0012 -0.0475 13 VAL Z CG2 +48111 N N . ILE KA 14 ? 1.3456 0.9962 1.0813 0.0701 -0.0020 -0.0482 14 ILE Z N +48112 C CA . ILE KA 14 ? 1.2668 0.9067 0.9971 0.0698 -0.0037 -0.0477 14 ILE Z CA +48113 C C . ILE KA 14 ? 1.2373 0.8779 0.9696 0.0751 -0.0034 -0.0468 14 ILE Z C +48114 O O . ILE KA 14 ? 1.0727 0.7119 0.8061 0.0740 -0.0049 -0.0449 14 ILE Z O +48115 C CB . ILE KA 14 ? 1.2445 0.8720 0.9652 0.0700 -0.0038 -0.0500 14 ILE Z CB +48116 C CG1 . ILE KA 14 ? 1.2295 0.8556 0.9482 0.0638 -0.0048 -0.0505 14 ILE Z CG1 +48117 C CG2 . ILE KA 14 ? 1.1461 0.7620 0.8607 0.0714 -0.0050 -0.0497 14 ILE Z CG2 +48118 C CD1 . ILE KA 14 ? 1.2597 0.8740 0.9691 0.0634 -0.0051 -0.0528 14 ILE Z CD1 +48119 N N . LEU KA 15 ? 1.1355 0.7783 0.8680 0.0809 -0.0016 -0.0482 15 LEU Z N +48120 C CA . LEU KA 15 ? 1.2070 0.8511 0.9416 0.0864 -0.0015 -0.0475 15 LEU Z CA +48121 C C . LEU KA 15 ? 1.2651 0.9200 1.0086 0.0854 -0.0020 -0.0452 15 LEU Z C +48122 O O . LEU KA 15 ? 1.1857 0.8392 0.9300 0.0872 -0.0031 -0.0437 15 LEU Z O +48123 C CB . LEU KA 15 ? 1.2173 0.8637 0.9517 0.0926 0.0008 -0.0495 15 LEU Z CB +48124 C CG . LEU KA 15 ? 1.1760 0.8247 0.9130 0.0989 0.0010 -0.0491 15 LEU Z CG +48125 C CD1 . LEU KA 15 ? 1.1068 0.7431 0.8368 0.1006 -0.0006 -0.0487 15 LEU Z CD1 +48126 C CD2 . LEU KA 15 ? 1.1217 0.7743 0.8597 0.1046 0.0034 -0.0512 15 LEU Z CD2 +48127 N N . SER KA 16 ? 1.1630 0.8286 0.9130 0.0825 -0.0012 -0.0448 16 SER Z N +48128 C CA . SER KA 16 ? 1.1219 0.7979 0.8803 0.0813 -0.0017 -0.0427 16 SER Z CA +48129 C C . SER KA 16 ? 1.0451 0.7169 0.8027 0.0769 -0.0040 -0.0406 16 SER Z C +48130 O O . SER KA 16 ? 1.0310 0.7056 0.7921 0.0781 -0.0049 -0.0389 16 SER Z O +48131 C CB . SER KA 16 ? 0.9773 0.6642 0.7419 0.0784 -0.0005 -0.0427 16 SER Z CB +48132 O OG . SER KA 16 ? 1.0593 0.7511 0.8254 0.0826 0.0018 -0.0444 16 SER Z OG +48133 N N . PHE KA 17 ? 1.0829 0.7481 0.8359 0.0719 -0.0049 -0.0408 17 PHE Z N +48134 C CA . PHE KA 17 ? 1.0972 0.7584 0.8494 0.0674 -0.0069 -0.0389 17 PHE Z CA +48135 C C . PHE KA 17 ? 1.3098 0.9619 1.0572 0.0704 -0.0078 -0.0383 17 PHE Z C +48136 O O . PHE KA 17 ? 1.3408 0.9933 1.0903 0.0690 -0.0090 -0.0362 17 PHE Z O +48137 C CB . PHE KA 17 ? 1.1976 0.8528 0.9452 0.0619 -0.0076 -0.0397 17 PHE Z CB +48138 C CG . PHE KA 17 ? 1.2793 0.9340 1.0283 0.0562 -0.0093 -0.0378 17 PHE Z CG +48139 C CD1 . PHE KA 17 ? 1.3305 0.9952 1.0864 0.0524 -0.0095 -0.0365 17 PHE Z CD1 +48140 C CD2 . PHE KA 17 ? 1.3665 1.0105 1.1097 0.0546 -0.0106 -0.0372 17 PHE Z CD2 +48141 C CE1 . PHE KA 17 ? 1.4337 1.0982 1.1910 0.0473 -0.0110 -0.0349 17 PHE Z CE1 +48142 C CE2 . PHE KA 17 ? 1.3517 0.9954 1.0964 0.0492 -0.0120 -0.0355 17 PHE Z CE2 +48143 C CZ . PHE KA 17 ? 1.3994 1.0536 1.1512 0.0456 -0.0122 -0.0344 17 PHE Z CZ +48144 N N . VAL KA 18 ? 1.2695 0.9133 1.0106 0.0747 -0.0072 -0.0400 18 VAL Z N +48145 C CA . VAL KA 18 ? 1.3850 1.0195 1.1210 0.0781 -0.0080 -0.0395 18 VAL Z CA +48146 C C . VAL KA 18 ? 1.0484 0.6902 0.7901 0.0829 -0.0079 -0.0383 18 VAL Z C +48147 O O . VAL KA 18 ? 1.0883 0.7266 0.8291 0.0835 -0.0092 -0.0366 18 VAL Z O +48148 C CB . VAL KA 18 ? 1.1911 0.8150 0.9187 0.0817 -0.0073 -0.0418 18 VAL Z CB +48149 C CG1 . VAL KA 18 ? 1.1566 0.7714 0.8792 0.0860 -0.0081 -0.0413 18 VAL Z CG1 +48150 C CG2 . VAL KA 18 ? 1.2013 0.8170 0.9229 0.0767 -0.0078 -0.0429 18 VAL Z CG2 +48151 N N . MET KA 19 ? 1.1225 0.7740 0.8696 0.0865 -0.0064 -0.0392 19 MET Z N +48152 C CA . MET KA 19 ? 1.0957 0.7550 0.8487 0.0911 -0.0064 -0.0383 19 MET Z CA +48153 C C . MET KA 19 ? 1.2232 0.8901 0.9827 0.0875 -0.0075 -0.0359 19 MET Z C +48154 O O . MET KA 19 ? 1.1334 0.8020 0.8952 0.0902 -0.0084 -0.0345 19 MET Z O +48155 C CB . MET KA 19 ? 1.1500 0.8191 0.9083 0.0949 -0.0044 -0.0399 19 MET Z CB +48156 C CG . MET KA 19 ? 1.1661 0.8287 0.9184 0.0997 -0.0030 -0.0424 19 MET Z CG +48157 S SD . MET KA 19 ? 1.3572 1.0142 1.1066 0.1074 -0.0036 -0.0426 19 MET Z SD +48158 C CE . MET KA 19 ? 1.0781 0.7499 0.8370 0.1127 -0.0019 -0.0433 19 MET Z CE +48159 N N . VAL KA 20 ? 1.1565 0.8279 0.9190 0.0816 -0.0076 -0.0353 20 VAL Z N +48160 C CA . VAL KA 20 ? 1.1414 0.8205 0.9103 0.0780 -0.0085 -0.0331 20 VAL Z CA +48161 C C . VAL KA 20 ? 1.0948 0.7660 0.8599 0.0763 -0.0103 -0.0313 20 VAL Z C +48162 O O . VAL KA 20 ? 1.1440 0.8197 0.9132 0.0765 -0.0112 -0.0294 20 VAL Z O +48163 C CB . VAL KA 20 ? 1.0724 0.7572 0.8445 0.0722 -0.0081 -0.0331 20 VAL Z CB +48164 C CG1 . VAL KA 20 ? 1.0735 0.7603 0.8483 0.0669 -0.0095 -0.0309 20 VAL Z CG1 +48165 C CG2 . VAL KA 20 ? 0.9446 0.6415 0.7237 0.0740 -0.0065 -0.0339 20 VAL Z CG2 +48166 N N . ILE KA 21 ? 1.2116 0.8706 0.9687 0.0746 -0.0108 -0.0317 21 ILE Z N +48167 C CA . ILE KA 21 ? 1.1641 0.8144 0.9168 0.0731 -0.0123 -0.0301 21 ILE Z CA +48168 C C . ILE KA 21 ? 1.1164 0.7603 0.8650 0.0794 -0.0126 -0.0301 21 ILE Z C +48169 O O . ILE KA 21 ? 1.2067 0.8480 0.9546 0.0799 -0.0137 -0.0283 21 ILE Z O +48170 C CB . ILE KA 21 ? 1.2522 0.8923 0.9982 0.0680 -0.0127 -0.0305 21 ILE Z CB +48171 C CG1 . ILE KA 21 ? 1.1743 0.8211 0.9248 0.0616 -0.0128 -0.0302 21 ILE Z CG1 +48172 C CG2 . ILE KA 21 ? 1.2061 0.8358 0.9467 0.0669 -0.0140 -0.0290 21 ILE Z CG2 +48173 C CD1 . ILE KA 21 ? 1.2202 0.8579 0.9648 0.0565 -0.0133 -0.0309 21 ILE Z CD1 +48174 N N . GLY KA 22 ? 1.1073 0.7487 0.8531 0.0844 -0.0116 -0.0321 22 GLY Z N +48175 C CA . GLY KA 22 ? 1.0906 0.7241 0.8311 0.0903 -0.0120 -0.0324 22 GLY Z CA +48176 C C . GLY KA 22 ? 1.0952 0.7362 0.8409 0.0958 -0.0123 -0.0316 22 GLY Z C +48177 O O . GLY KA 22 ? 1.0676 0.7029 0.8102 0.0986 -0.0134 -0.0305 22 GLY Z O +48178 N N . VAL KA 23 ? 1.0069 0.6605 0.7606 0.0974 -0.0112 -0.0323 23 VAL Z N +48179 C CA . VAL KA 23 ? 1.1057 0.7673 0.8649 0.1027 -0.0115 -0.0319 23 VAL Z CA +48180 C C . VAL KA 23 ? 1.0961 0.7601 0.8581 0.1010 -0.0132 -0.0293 23 VAL Z C +48181 O O . VAL KA 23 ? 1.2088 0.8705 0.9696 0.1056 -0.0142 -0.0286 23 VAL Z O +48182 C CB . VAL KA 23 ? 1.1117 0.7867 0.8792 0.1041 -0.0099 -0.0332 23 VAL Z CB +48183 C CG1 . VAL KA 23 ? 1.1837 0.8672 0.9572 0.1095 -0.0102 -0.0330 23 VAL Z CG1 +48184 C CG2 . VAL KA 23 ? 1.0263 0.6981 0.7902 0.1061 -0.0081 -0.0358 23 VAL Z CG2 +48185 N N . PRO KA 24 ? 1.3764 1.0444 1.1418 0.0948 -0.0135 -0.0278 24 PRO Z N +48186 C CA . PRO KA 24 ? 1.5034 1.1726 1.2707 0.0934 -0.0151 -0.0254 24 PRO Z CA +48187 C C . PRO KA 24 ? 1.2571 0.9127 1.0157 0.0938 -0.0163 -0.0243 24 PRO Z C +48188 O O . PRO KA 24 ? 1.1679 0.8225 0.9262 0.0968 -0.0175 -0.0229 24 PRO Z O +48189 C CB . PRO KA 24 ? 1.1449 0.8202 0.9167 0.0863 -0.0150 -0.0243 24 PRO Z CB +48190 C CG . PRO KA 24 ? 1.0733 0.7459 0.8425 0.0834 -0.0138 -0.0260 24 PRO Z CG +48191 C CD . PRO KA 24 ? 1.2570 0.9302 1.0255 0.0891 -0.0126 -0.0283 24 PRO Z CD +48192 N N . VAL KA 25 ? 1.1837 0.8286 0.9352 0.0907 -0.0161 -0.0248 25 VAL Z N +48193 C CA . VAL KA 25 ? 1.2942 0.9254 1.0371 0.0906 -0.0170 -0.0238 25 VAL Z CA +48194 C C . VAL KA 25 ? 1.1987 0.8242 0.9372 0.0981 -0.0174 -0.0244 25 VAL Z C +48195 O O . VAL KA 25 ? 1.2359 0.8552 0.9707 0.1001 -0.0186 -0.0228 25 VAL Z O +48196 C CB . VAL KA 25 ? 1.2112 0.8324 0.9474 0.0858 -0.0166 -0.0246 25 VAL Z CB +48197 C CG1 . VAL KA 25 ? 1.2151 0.8217 0.9422 0.0859 -0.0174 -0.0237 25 VAL Z CG1 +48198 C CG2 . VAL KA 25 ? 1.1653 0.7920 0.9058 0.0784 -0.0164 -0.0239 25 VAL Z CG2 +48199 N N . ALA KA 26 ? 1.1476 0.7753 0.8866 0.1026 -0.0164 -0.0266 26 ALA Z N +48200 C CA . ALA KA 26 ? 1.1959 0.8193 0.9316 0.1102 -0.0167 -0.0274 26 ALA Z CA +48201 C C . ALA KA 26 ? 1.1737 0.8062 0.9156 0.1143 -0.0177 -0.0263 26 ALA Z C +48202 O O . ALA KA 26 ? 1.2369 0.8635 0.9749 0.1185 -0.0190 -0.0254 26 ALA Z O +48203 C CB . ALA KA 26 ? 1.0747 0.6994 0.8101 0.1138 -0.0152 -0.0302 26 ALA Z CB +48204 N N . TYR KA 27 ? 1.1758 0.8227 0.9274 0.1132 -0.0172 -0.0264 27 TYR Z N +48205 C CA . TYR KA 27 ? 1.1797 0.8362 0.9379 0.1172 -0.0182 -0.0256 27 TYR Z CA +48206 C C . TYR KA 27 ? 1.3024 0.9552 1.0588 0.1159 -0.0200 -0.0230 27 TYR Z C +48207 O O . TYR KA 27 ? 1.1894 0.8446 0.9473 0.1207 -0.0213 -0.0224 27 TYR Z O +48208 C CB . TYR KA 27 ? 1.2308 0.9027 0.9994 0.1149 -0.0172 -0.0260 27 TYR Z CB +48209 C CG . TYR KA 27 ? 1.3669 1.0465 1.1399 0.1191 -0.0157 -0.0284 27 TYR Z CG +48210 C CD1 . TYR KA 27 ? 1.2383 0.9123 1.0069 0.1255 -0.0154 -0.0301 27 TYR Z CD1 +48211 C CD2 . TYR KA 27 ? 1.1008 0.7933 0.8824 0.1168 -0.0144 -0.0290 27 TYR Z CD2 +48212 C CE1 . TYR KA 27 ? 1.3308 1.0124 1.1039 0.1294 -0.0138 -0.0324 27 TYR Z CE1 +48213 C CE2 . TYR KA 27 ? 1.2226 0.9224 1.0084 0.1205 -0.0128 -0.0312 27 TYR Z CE2 +48214 C CZ . TYR KA 27 ? 1.3127 1.0072 1.0944 0.1267 -0.0124 -0.0329 27 TYR Z CZ +48215 O OH . TYR KA 27 ? 1.2759 0.9781 1.0621 0.1302 -0.0106 -0.0351 27 TYR Z OH +48216 N N . ALA KA 28 ? 1.1274 0.7750 0.8809 0.1094 -0.0202 -0.0215 28 ALA Z N +48217 C CA . ALA KA 28 ? 1.2267 0.8710 0.9784 0.1074 -0.0217 -0.0190 28 ALA Z CA +48218 C C . ALA KA 28 ? 1.2607 0.8890 1.0017 0.1083 -0.0223 -0.0182 28 ALA Z C +48219 O O . ALA KA 28 ? 1.2394 0.8630 0.9776 0.1064 -0.0234 -0.0160 28 ALA Z O +48220 C CB . ALA KA 28 ? 1.2301 0.8790 0.9856 0.0996 -0.0213 -0.0177 28 ALA Z CB +48221 N N . SER KA 29 ? 1.3339 0.9534 1.0686 0.1112 -0.0217 -0.0199 29 SER Z N +48222 C CA . SER KA 29 ? 1.5725 1.1762 1.2965 0.1129 -0.0223 -0.0194 29 SER Z CA +48223 C C . SER KA 29 ? 1.5165 1.1175 1.2379 0.1215 -0.0229 -0.0205 29 SER Z C +48224 O O . SER KA 29 ? 1.6247 1.2258 1.3456 0.1247 -0.0219 -0.0228 29 SER Z O +48225 C CB . SER KA 29 ? 1.3223 0.9160 1.0399 0.1087 -0.0212 -0.0205 29 SER Z CB +48226 O OG . SER KA 29 ? 1.5226 1.1128 1.2388 0.1014 -0.0212 -0.0188 29 SER Z OG +48227 N N . PRO KA 30 ? 1.6550 1.2540 1.3748 0.1256 -0.0245 -0.0190 30 PRO Z N +48228 C CA . PRO KA 30 ? 2.0257 1.6176 1.7400 0.1335 -0.0252 -0.0199 30 PRO Z CA +48229 C C . PRO KA 30 ? 2.0337 1.6086 1.7365 0.1334 -0.0248 -0.0203 30 PRO Z C +48230 O O . PRO KA 30 ? 1.8899 1.4589 1.5880 0.1396 -0.0248 -0.0218 30 PRO Z O +48231 C CB . PRO KA 30 ? 2.1201 1.7129 1.8347 0.1367 -0.0272 -0.0178 30 PRO Z CB +48232 C CG . PRO KA 30 ? 1.9556 1.5613 1.6793 0.1318 -0.0273 -0.0166 30 PRO Z CG +48233 C CD . PRO KA 30 ? 1.6679 1.2725 1.3917 0.1239 -0.0257 -0.0167 30 PRO Z CD +48234 N N . GLN KA 31 ? 2.3148 1.8819 2.0130 0.1265 -0.0244 -0.0191 31 GLN Z N +48235 C CA . GLN KA 31 ? 2.3064 1.8580 1.9944 0.1250 -0.0237 -0.0197 31 GLN Z CA +48236 C C . GLN KA 31 ? 2.3075 1.8596 1.9954 0.1269 -0.0224 -0.0226 31 GLN Z C +48237 O O . GLN KA 31 ? 2.1774 1.7342 1.8688 0.1219 -0.0212 -0.0237 31 GLN Z O +48238 C CB . GLN KA 31 ? 2.1570 1.7038 1.8428 0.1162 -0.0233 -0.0183 31 GLN Z CB +48239 C CG . GLN KA 31 ? 2.2005 1.7596 1.8951 0.1112 -0.0234 -0.0167 31 GLN Z CG +48240 C CD . GLN KA 31 ? 2.4027 1.9628 2.0978 0.1133 -0.0249 -0.0143 31 GLN Z CD +48241 O OE1 . GLN KA 31 ? 2.1871 1.7599 1.8906 0.1138 -0.0255 -0.0136 31 GLN Z OE1 +48242 N NE2 . GLN KA 31 ? 2.6725 2.2187 2.3581 0.1146 -0.0256 -0.0129 31 GLN Z NE2 +48243 N N . ASP KA 32 ? 2.2684 1.8157 1.9522 0.1343 -0.0226 -0.0240 32 ASP Z N +48244 C CA . ASP KA 32 ? 2.4415 1.9894 2.1251 0.1375 -0.0214 -0.0269 32 ASP Z CA +48245 C C . ASP KA 32 ? 2.2493 1.8145 1.9443 0.1378 -0.0205 -0.0281 32 ASP Z C +48246 O O . ASP KA 32 ? 2.1992 1.7696 1.8978 0.1327 -0.0192 -0.0290 32 ASP Z O +48247 C CB . ASP KA 32 ? 2.3198 1.8571 1.9966 0.1324 -0.0202 -0.0279 32 ASP Z CB +48248 C CG . ASP KA 32 ? 2.3196 1.8547 1.9940 0.1363 -0.0190 -0.0308 32 ASP Z CG +48249 O OD1 . ASP KA 32 ? 2.2869 1.8122 1.9541 0.1423 -0.0193 -0.0316 32 ASP Z OD1 +48250 O OD2 . ASP KA 32 ? 2.4304 1.9734 2.1098 0.1336 -0.0177 -0.0323 32 ASP Z OD2 +48251 N N . TRP KA 33 ? 1.9419 1.5162 1.6426 0.1439 -0.0212 -0.0282 33 TRP Z N +48252 C CA . TRP KA 33 ? 1.7576 1.3480 1.4688 0.1453 -0.0203 -0.0296 33 TRP Z CA +48253 C C . TRP KA 33 ? 1.8257 1.4160 1.5359 0.1513 -0.0191 -0.0325 33 TRP Z C +48254 O O . TRP KA 33 ? 1.7065 1.3080 1.4240 0.1512 -0.0176 -0.0341 33 TRP Z O +48255 C CB . TRP KA 33 ? 1.6632 1.2647 1.3821 0.1483 -0.0217 -0.0284 33 TRP Z CB +48256 C CG . TRP KA 33 ? 1.8177 1.4346 1.5467 0.1514 -0.0208 -0.0301 33 TRP Z CG +48257 C CD1 . TRP KA 33 ? 1.8562 1.4786 1.5884 0.1590 -0.0213 -0.0313 33 TRP Z CD1 +48258 C CD2 . TRP KA 33 ? 1.7984 1.4270 1.5353 0.1469 -0.0192 -0.0309 33 TRP Z CD2 +48259 N NE1 . TRP KA 33 ? 1.7998 1.4369 1.5418 0.1593 -0.0199 -0.0328 33 TRP Z NE1 +48260 C CE2 . TRP KA 33 ? 1.5472 1.1880 1.2921 0.1519 -0.0186 -0.0325 33 TRP Z CE2 +48261 C CE3 . TRP KA 33 ? 1.6522 1.2821 1.3904 0.1391 -0.0182 -0.0305 33 TRP Z CE3 +48262 C CZ2 . TRP KA 33 ? 1.5406 1.1943 1.2941 0.1494 -0.0169 -0.0336 33 TRP Z CZ2 +48263 C CZ3 . TRP KA 33 ? 1.4908 1.1334 1.2374 0.1368 -0.0167 -0.0316 33 TRP Z CZ3 +48264 C CH2 . TRP KA 33 ? 1.5932 1.2473 1.3472 0.1418 -0.0160 -0.0331 33 TRP Z CH2 +48265 N N . ASP KA 34 ? 1.9741 1.5519 1.6754 0.1564 -0.0195 -0.0331 34 ASP Z N +48266 C CA . ASP KA 34 ? 1.8949 1.4724 1.5952 0.1625 -0.0183 -0.0358 34 ASP Z CA +48267 C C . ASP KA 34 ? 1.8964 1.4716 1.5947 0.1586 -0.0163 -0.0377 34 ASP Z C +48268 O O . ASP KA 34 ? 1.8267 1.4113 1.5307 0.1601 -0.0147 -0.0397 34 ASP Z O +48269 C CB . ASP KA 34 ? 2.1017 1.6657 1.7924 0.1691 -0.0194 -0.0360 34 ASP Z CB +48270 C CG . ASP KA 34 ? 2.3356 1.9056 2.0302 0.1760 -0.0211 -0.0354 34 ASP Z CG +48271 O OD1 . ASP KA 34 ? 2.1860 1.7701 1.8904 0.1752 -0.0215 -0.0347 34 ASP Z OD1 +48272 O OD2 . ASP KA 34 ? 2.5249 2.0854 2.2125 0.1825 -0.0220 -0.0357 34 ASP Z OD2 +48273 N N . ARG KA 35 ? 1.6274 1.1899 1.3175 0.1535 -0.0163 -0.0372 35 ARG Z N +48274 C CA . ARG KA 35 ? 1.7861 1.3469 1.4746 0.1492 -0.0146 -0.0389 35 ARG Z CA +48275 C C . ARG KA 35 ? 1.8690 1.4443 1.5674 0.1438 -0.0137 -0.0388 35 ARG Z C +48276 O O . ARG KA 35 ? 1.9654 1.5460 1.6665 0.1432 -0.0120 -0.0407 35 ARG Z O +48277 C CB . ARG KA 35 ? 1.7868 1.3320 1.4653 0.1440 -0.0150 -0.0383 35 ARG Z CB +48278 C CG . ARG KA 35 ? 2.0476 1.5913 1.7246 0.1388 -0.0135 -0.0400 35 ARG Z CG +48279 C CD . ARG KA 35 ? 2.2743 1.8013 1.9405 0.1349 -0.0138 -0.0399 35 ARG Z CD +48280 N NE . ARG KA 35 ? 2.3194 1.8345 1.9767 0.1403 -0.0134 -0.0418 35 ARG Z NE +48281 C CZ . ARG KA 35 ? 2.2725 1.7848 1.9268 0.1406 -0.0120 -0.0444 35 ARG Z CZ +48282 N NH1 . ARG KA 35 ? 1.9227 1.4434 1.5822 0.1359 -0.0109 -0.0454 35 ARG Z NH1 +48283 N NH2 . ARG KA 35 ? 2.2951 1.7958 1.9409 0.1457 -0.0117 -0.0460 35 ARG Z NH2 +48284 N N . SER KA 36 ? 1.6759 1.2575 1.3795 0.1400 -0.0148 -0.0364 36 SER Z N +48285 C CA . SER KA 36 ? 1.4126 1.0082 1.1259 0.1351 -0.0140 -0.0362 36 SER Z CA +48286 C C . SER KA 36 ? 1.5487 1.1576 1.2702 0.1397 -0.0128 -0.0379 36 SER Z C +48287 O O . SER KA 36 ? 1.4250 1.0406 1.1503 0.1374 -0.0111 -0.0393 36 SER Z O +48288 C CB . SER KA 36 ? 1.4632 1.0633 1.1806 0.1314 -0.0155 -0.0334 36 SER Z CB +48289 O OG . SER KA 36 ? 1.7559 1.3451 1.4667 0.1260 -0.0163 -0.0319 36 SER Z OG +48290 N N . LYS KA 37 ? 1.4115 1.0243 1.1356 0.1463 -0.0136 -0.0378 37 LYS Z N +48291 C CA . LYS KA 37 ? 1.4359 1.0623 1.1687 0.1507 -0.0125 -0.0393 37 LYS Z CA +48292 C C . LYS KA 37 ? 1.4910 1.1160 1.2216 0.1531 -0.0103 -0.0421 37 LYS Z C +48293 O O . LYS KA 37 ? 1.4998 1.1364 1.2376 0.1534 -0.0086 -0.0435 37 LYS Z O +48294 C CB . LYS KA 37 ? 1.4635 1.0924 1.1981 0.1579 -0.0140 -0.0390 37 LYS Z CB +48295 C CG . LYS KA 37 ? 1.6760 1.3204 1.4208 0.1620 -0.0130 -0.0403 37 LYS Z CG +48296 C CD . LYS KA 37 ? 1.7117 1.3581 1.4581 0.1693 -0.0148 -0.0400 37 LYS Z CD +48297 C CE . LYS KA 37 ? 1.8568 1.5180 1.6130 0.1739 -0.0137 -0.0419 37 LYS Z CE +48298 N NZ . LYS KA 37 ? 1.9235 1.5867 1.6812 0.1814 -0.0155 -0.0418 37 LYS Z NZ +48299 N N . GLN KA 38 ? 1.5938 1.2044 1.3142 0.1547 -0.0103 -0.0431 38 GLN Z N +48300 C CA . GLN KA 38 ? 1.5493 1.1575 1.2668 0.1567 -0.0082 -0.0458 38 GLN Z CA +48301 C C . GLN KA 38 ? 1.4898 1.0990 1.2075 0.1496 -0.0069 -0.0462 38 GLN Z C +48302 O O . GLN KA 38 ? 1.1629 0.7791 0.8842 0.1500 -0.0049 -0.0481 38 GLN Z O +48303 C CB . GLN KA 38 ? 1.6881 1.2803 1.3943 0.1609 -0.0087 -0.0467 38 GLN Z CB +48304 C CG . GLN KA 38 ? 1.9011 1.4909 1.6043 0.1649 -0.0066 -0.0496 38 GLN Z CG +48305 C CD . GLN KA 38 ? 2.1501 1.7230 1.8414 0.1683 -0.0071 -0.0505 38 GLN Z CD +48306 O OE1 . GLN KA 38 ? 2.1969 1.7599 1.8824 0.1684 -0.0089 -0.0488 38 GLN Z OE1 +48307 N NE2 . GLN KA 38 ? 1.7894 1.3583 1.4767 0.1711 -0.0053 -0.0531 38 GLN Z NE2 +48308 N N . LEU KA 39 ? 1.1936 0.7960 0.9075 0.1430 -0.0080 -0.0446 39 LEU Z N +48309 C CA . LEU KA 39 ? 1.3418 0.9457 1.0562 0.1359 -0.0071 -0.0449 39 LEU Z CA +48310 C C . LEU KA 39 ? 1.4116 1.0320 1.1371 0.1337 -0.0061 -0.0447 39 LEU Z C +48311 O O . LEU KA 39 ? 1.3010 0.9261 1.0285 0.1319 -0.0043 -0.0462 39 LEU Z O +48312 C CB . LEU KA 39 ? 1.5881 1.1834 1.2979 0.1294 -0.0086 -0.0429 39 LEU Z CB +48313 C CG . LEU KA 39 ? 1.5129 1.0908 1.2111 0.1293 -0.0093 -0.0432 39 LEU Z CG +48314 C CD1 . LEU KA 39 ? 1.6334 1.2055 1.3292 0.1235 -0.0110 -0.0407 39 LEU Z CD1 +48315 C CD2 . LEU KA 39 ? 1.5059 1.0783 1.1992 0.1270 -0.0080 -0.0454 39 LEU Z CD2 +48316 N N . ILE KA 40 ? 1.5069 1.1360 1.2393 0.1337 -0.0072 -0.0428 40 ILE Z N +48317 C CA . ILE KA 40 ? 1.3665 1.0111 1.1094 0.1313 -0.0063 -0.0425 40 ILE Z CA +48318 C C . ILE KA 40 ? 1.2939 0.9470 1.0414 0.1363 -0.0042 -0.0448 40 ILE Z C +48319 O O . ILE KA 40 ? 1.3105 0.9724 1.0631 0.1336 -0.0025 -0.0456 40 ILE Z O +48320 C CB . ILE KA 40 ? 1.3428 0.9941 1.0916 0.1310 -0.0080 -0.0401 40 ILE Z CB +48321 C CG1 . ILE KA 40 ? 1.2727 0.9161 1.0172 0.1253 -0.0097 -0.0379 40 ILE Z CG1 +48322 C CG2 . ILE KA 40 ? 1.3359 1.0034 1.0956 0.1292 -0.0071 -0.0400 40 ILE Z CG2 +48323 C CD1 . ILE KA 40 ? 1.4229 1.0710 1.1718 0.1251 -0.0115 -0.0355 40 ILE Z CD1 +48324 N N . PHE KA 41 ? 1.2978 0.9485 1.0434 0.1436 -0.0042 -0.0459 41 PHE Z N +48325 C CA . PHE KA 41 ? 1.3487 1.0065 1.0980 0.1485 -0.0020 -0.0483 41 PHE Z CA +48326 C C . PHE KA 41 ? 1.3903 1.0433 1.1348 0.1463 0.0000 -0.0502 41 PHE Z C +48327 O O . PHE KA 41 ? 1.3871 1.0489 1.1364 0.1463 0.0022 -0.0516 41 PHE Z O +48328 C CB . PHE KA 41 ? 1.4330 1.0868 1.1796 0.1568 -0.0024 -0.0493 41 PHE Z CB +48329 C CG . PHE KA 41 ? 1.7585 1.4245 1.5141 0.1612 -0.0029 -0.0489 41 PHE Z CG +48330 C CD1 . PHE KA 41 ? 1.6074 1.2723 1.3635 0.1624 -0.0054 -0.0469 41 PHE Z CD1 +48331 C CD2 . PHE KA 41 ? 1.6538 1.3323 1.4172 0.1641 -0.0008 -0.0507 41 PHE Z CD2 +48332 C CE1 . PHE KA 41 ? 1.6647 1.3408 1.4290 0.1666 -0.0061 -0.0467 41 PHE Z CE1 +48333 C CE2 . PHE KA 41 ? 1.7936 1.4836 1.5656 0.1681 -0.0013 -0.0505 41 PHE Z CE2 +48334 C CZ . PHE KA 41 ? 1.5436 1.2324 1.3160 0.1694 -0.0041 -0.0486 41 PHE Z CZ +48335 N N . LEU KA 42 ? 1.2013 0.8401 0.9360 0.1442 -0.0008 -0.0502 42 LEU Z N +48336 C CA . LEU KA 42 ? 1.3999 1.0325 1.1288 0.1422 0.0008 -0.0521 42 LEU Z CA +48337 C C . LEU KA 42 ? 1.4247 1.0638 1.1575 0.1350 0.0015 -0.0516 42 LEU Z C +48338 O O . LEU KA 42 ? 1.2906 0.9340 1.0247 0.1346 0.0036 -0.0533 42 LEU Z O +48339 C CB . LEU KA 42 ? 1.2464 0.8620 0.9639 0.1417 -0.0005 -0.0522 42 LEU Z CB +48340 C CG . LEU KA 42 ? 1.6176 1.2239 1.3272 0.1398 0.0007 -0.0542 42 LEU Z CG +48341 C CD1 . LEU KA 42 ? 1.3859 0.9948 1.0955 0.1457 0.0031 -0.0569 42 LEU Z CD1 +48342 C CD2 . LEU KA 42 ? 1.5273 1.1168 1.2262 0.1392 -0.0009 -0.0539 42 LEU Z CD2 +48343 N N . GLY KA 43 ? 1.1323 0.7721 0.8670 0.1294 -0.0002 -0.0493 43 GLY Z N +48344 C CA . GLY KA 43 ? 1.0754 0.7216 0.8141 0.1227 0.0002 -0.0488 43 GLY Z CA +48345 C C . GLY KA 43 ? 1.0268 0.6882 0.7751 0.1236 0.0020 -0.0492 43 GLY Z C +48346 O O . GLY KA 43 ? 1.1845 0.8500 0.9341 0.1209 0.0036 -0.0503 43 GLY Z O +48347 N N . SER KA 44 ? 1.0809 0.7508 0.8359 0.1276 0.0018 -0.0486 44 SER Z N +48348 C CA . SER KA 44 ? 1.1044 0.7891 0.8691 0.1284 0.0035 -0.0489 44 SER Z CA +48349 C C . SER KA 44 ? 1.1108 0.7974 0.8748 0.1316 0.0063 -0.0516 44 SER Z C +48350 O O . SER KA 44 ? 1.3272 1.0215 1.0953 0.1288 0.0081 -0.0521 44 SER Z O +48351 C CB . SER KA 44 ? 1.0759 0.7681 0.8470 0.1329 0.0026 -0.0481 44 SER Z CB +48352 O OG . SER KA 44 ? 1.2453 0.9358 1.0169 0.1301 0.0001 -0.0456 44 SER Z OG +48353 N N . GLY KA 45 ? 1.2835 0.9629 1.0421 0.1375 0.0067 -0.0532 45 GLY Z N +48354 C CA . GLY KA 45 ? 1.0995 0.7796 0.8566 0.1406 0.0094 -0.0558 45 GLY Z CA +48355 C C . GLY KA 45 ? 1.0382 0.7131 0.7900 0.1356 0.0104 -0.0566 45 GLY Z C +48356 O O . GLY KA 45 ? 1.1627 0.8447 0.9178 0.1344 0.0126 -0.0576 45 GLY Z O +48357 N N . LEU KA 46 ? 1.0871 0.7496 0.8308 0.1323 0.0086 -0.0560 46 LEU Z N +48358 C CA . LEU KA 46 ? 1.2319 0.8889 0.9702 0.1273 0.0091 -0.0568 46 LEU Z CA +48359 C C . LEU KA 46 ? 1.3799 1.0470 1.1248 0.1214 0.0095 -0.0557 46 LEU Z C +48360 O O . LEU KA 46 ? 1.1161 0.7848 0.8601 0.1193 0.0111 -0.0569 46 LEU Z O +48361 C CB . LEU KA 46 ? 1.2479 0.8906 0.9773 0.1244 0.0068 -0.0562 46 LEU Z CB +48362 C CG . LEU KA 46 ? 1.4892 1.1237 1.2112 0.1204 0.0071 -0.0575 46 LEU Z CG +48363 C CD1 . LEU KA 46 ? 1.4258 1.0600 1.1452 0.1247 0.0098 -0.0603 46 LEU Z CD1 +48364 C CD2 . LEU KA 46 ? 1.3218 0.9414 1.0347 0.1186 0.0050 -0.0572 46 LEU Z CD2 +48365 N N . TRP KA 47 ? 1.2238 0.8974 0.9750 0.1189 0.0079 -0.0534 47 TRP Z N +48366 C CA . TRP KA 47 ? 1.2467 0.9300 1.0044 0.1134 0.0082 -0.0522 47 TRP Z CA +48367 C C . TRP KA 47 ? 1.0129 0.7079 0.7771 0.1155 0.0110 -0.0534 47 TRP Z C +48368 O O . TRP KA 47 ? 1.0017 0.7003 0.7667 0.1120 0.0124 -0.0539 47 TRP Z O +48369 C CB . TRP KA 47 ? 1.1097 0.7978 0.8729 0.1111 0.0061 -0.0496 47 TRP Z CB +48370 C CG . TRP KA 47 ? 1.0774 0.7734 0.8461 0.1049 0.0060 -0.0482 47 TRP Z CG +48371 C CD1 . TRP KA 47 ? 1.0556 0.7472 0.8214 0.0987 0.0045 -0.0472 47 TRP Z CD1 +48372 C CD2 . TRP KA 47 ? 0.8782 0.5879 0.6561 0.1044 0.0073 -0.0477 47 TRP Z CD2 +48373 N NE1 . TRP KA 47 ? 0.9623 0.6640 0.7349 0.0946 0.0048 -0.0461 47 TRP Z NE1 +48374 C CE2 . TRP KA 47 ? 0.9845 0.6971 0.7644 0.0979 0.0065 -0.0464 47 TRP Z CE2 +48375 C CE3 . TRP KA 47 ? 1.0411 0.7610 0.8258 0.1088 0.0090 -0.0484 47 TRP Z CE3 +48376 C CZ2 . TRP KA 47 ? 0.9109 0.6357 0.6990 0.0958 0.0075 -0.0456 47 TRP Z CZ2 +48377 C CZ3 . TRP KA 47 ? 0.9683 0.7004 0.7613 0.1064 0.0100 -0.0477 47 TRP Z CZ3 +48378 C CH2 . TRP KA 47 ? 0.9684 0.7026 0.7629 0.0999 0.0092 -0.0462 47 TRP Z CH2 +48379 N N . ILE KA 48 ? 1.1104 0.8113 0.8792 0.1213 0.0120 -0.0540 48 ILE Z N +48380 C CA . ILE KA 48 ? 1.0468 0.7591 0.8221 0.1236 0.0149 -0.0552 48 ILE Z CA +48381 C C . ILE KA 48 ? 1.1895 0.8976 0.9593 0.1245 0.0173 -0.0575 48 ILE Z C +48382 O O . ILE KA 48 ? 1.3233 1.0386 1.0964 0.1228 0.0195 -0.0582 48 ILE Z O +48383 C CB . ILE KA 48 ? 1.1055 0.8238 0.8862 0.1300 0.0152 -0.0556 48 ILE Z CB +48384 C CG1 . ILE KA 48 ? 1.2056 0.9310 0.9934 0.1285 0.0132 -0.0532 48 ILE Z CG1 +48385 C CG2 . ILE KA 48 ? 1.1786 0.9068 0.9646 0.1331 0.0185 -0.0574 48 ILE Z CG2 +48386 C CD1 . ILE KA 48 ? 1.4581 1.1893 1.2511 0.1347 0.0130 -0.0535 48 ILE Z CD1 +48387 N N . ALA KA 49 ? 1.2596 0.9556 1.0206 0.1272 0.0169 -0.0588 49 ALA Z N +48388 C CA . ALA KA 49 ? 1.2370 0.9281 0.9919 0.1285 0.0191 -0.0612 49 ALA Z CA +48389 C C . ALA KA 49 ? 1.0691 0.7575 0.8206 0.1221 0.0191 -0.0611 49 ALA Z C +48390 O O . ALA KA 49 ? 1.1007 0.7917 0.8515 0.1218 0.0215 -0.0625 49 ALA Z O +48391 C CB . ALA KA 49 ? 1.1865 0.8644 0.9323 0.1328 0.0184 -0.0626 49 ALA Z CB +48392 N N . LEU KA 50 ? 1.1546 0.8377 0.9036 0.1170 0.0164 -0.0594 50 LEU Z N +48393 C CA . LEU KA 50 ? 1.0954 0.7767 0.8419 0.1108 0.0160 -0.0592 50 LEU Z CA +48394 C C . LEU KA 50 ? 1.1828 0.8770 0.9373 0.1079 0.0175 -0.0584 50 LEU Z C +48395 O O . LEU KA 50 ? 1.1273 0.8221 0.8800 0.1051 0.0187 -0.0592 50 LEU Z O +48396 C CB . LEU KA 50 ? 1.1574 0.8316 0.9008 0.1060 0.0128 -0.0574 50 LEU Z CB +48397 C CG . LEU KA 50 ? 1.2969 0.9565 1.0308 0.1074 0.0113 -0.0583 50 LEU Z CG +48398 C CD1 . LEU KA 50 ? 1.1690 0.8228 0.9007 0.1020 0.0083 -0.0565 50 LEU Z CD1 +48399 C CD2 . LEU KA 50 ? 1.1536 0.8060 0.8797 0.1082 0.0127 -0.0608 50 LEU Z CD2 +48400 N N . VAL KA 51 ? 1.0368 0.7412 0.8001 0.1087 0.0174 -0.0569 51 VAL Z N +48401 C CA . VAL KA 51 ? 1.0989 0.8156 0.8700 0.1063 0.0190 -0.0563 51 VAL Z CA +48402 C C . VAL KA 51 ? 1.0558 0.7763 0.8269 0.1094 0.0225 -0.0584 51 VAL Z C +48403 O O . VAL KA 51 ? 1.0762 0.7996 0.8472 0.1062 0.0240 -0.0587 51 VAL Z O +48404 C CB . VAL KA 51 ? 0.9869 0.7136 0.7673 0.1072 0.0183 -0.0545 51 VAL Z CB +48405 C CG1 . VAL KA 51 ? 0.9300 0.6696 0.7186 0.1057 0.0205 -0.0542 51 VAL Z CG1 +48406 C CG2 . VAL KA 51 ? 0.9214 0.6450 0.7019 0.1033 0.0150 -0.0522 51 VAL Z CG2 +48407 N N . LEU KA 52 ? 1.0832 0.8035 0.8542 0.1156 0.0240 -0.0599 52 LEU Z N +48408 C CA . LEU KA 52 ? 1.1101 0.8341 0.8812 0.1188 0.0276 -0.0621 52 LEU Z CA +48409 C C . LEU KA 52 ? 1.0771 0.7917 0.8388 0.1171 0.0283 -0.0636 52 LEU Z C +48410 O O . LEU KA 52 ? 1.0737 0.7923 0.8356 0.1161 0.0309 -0.0645 52 LEU Z O +48411 C CB . LEU KA 52 ? 1.1351 0.8598 0.9074 0.1260 0.0288 -0.0635 52 LEU Z CB +48412 C CG . LEU KA 52 ? 1.2744 1.0070 1.0550 0.1279 0.0275 -0.0620 52 LEU Z CG +48413 C CD1 . LEU KA 52 ? 1.2956 1.0270 1.0762 0.1352 0.0279 -0.0634 52 LEU Z CD1 +48414 C CD2 . LEU KA 52 ? 1.1383 0.8851 0.9289 0.1260 0.0291 -0.0612 52 LEU Z CD2 +48415 N N . VAL KA 53 ? 1.0442 0.7463 0.7976 0.1167 0.0261 -0.0639 53 VAL Z N +48416 C CA . VAL KA 53 ? 1.0972 0.7898 0.8414 0.1149 0.0264 -0.0654 53 VAL Z CA +48417 C C . VAL KA 53 ? 1.1848 0.8806 0.9297 0.1086 0.0262 -0.0645 53 VAL Z C +48418 O O . VAL KA 53 ? 1.2323 0.9287 0.9746 0.1080 0.0284 -0.0658 53 VAL Z O +48419 C CB . VAL KA 53 ? 1.1617 0.8405 0.8973 0.1149 0.0237 -0.0657 53 VAL Z CB +48420 C CG1 . VAL KA 53 ? 1.1419 0.8115 0.8688 0.1113 0.0232 -0.0668 53 VAL Z CG1 +48421 C CG2 . VAL KA 53 ? 1.1465 0.8202 0.8790 0.1218 0.0245 -0.0672 53 VAL Z CG2 +48422 N N . VAL KA 54 ? 1.1701 0.8682 0.9186 0.1040 0.0236 -0.0623 54 VAL Z N +48423 C CA . VAL KA 54 ? 1.1816 0.8834 0.9314 0.0981 0.0233 -0.0613 54 VAL Z CA +48424 C C . VAL KA 54 ? 1.0359 0.7494 0.7923 0.0985 0.0263 -0.0613 54 VAL Z C +48425 O O . VAL KA 54 ? 1.0410 0.7557 0.7955 0.0959 0.0276 -0.0618 54 VAL Z O +48426 C CB . VAL KA 54 ? 1.1727 0.8753 0.9258 0.0935 0.0201 -0.0588 54 VAL Z CB +48427 C CG1 . VAL KA 54 ? 1.0784 0.7874 0.8348 0.0880 0.0200 -0.0577 54 VAL Z CG1 +48428 C CG2 . VAL KA 54 ? 0.9917 0.6816 0.7370 0.0920 0.0172 -0.0590 54 VAL Z CG2 +48429 N N . GLY KA 55 ? 0.9894 0.7117 0.7535 0.1020 0.0276 -0.0609 55 GLY Z N +48430 C CA . GLY KA 55 ? 1.0110 0.7447 0.7817 0.1024 0.0307 -0.0610 55 GLY Z CA +48431 C C . GLY KA 55 ? 1.0158 0.7477 0.7818 0.1045 0.0340 -0.0633 55 GLY Z C +48432 O O . GLY KA 55 ? 1.0580 0.7942 0.8246 0.1018 0.0358 -0.0633 55 GLY Z O +48433 N N . VAL KA 56 ? 1.1744 0.8995 0.9350 0.1094 0.0348 -0.0652 56 VAL Z N +48434 C CA . VAL KA 56 ? 1.2031 0.9258 0.9587 0.1117 0.0380 -0.0675 56 VAL Z CA +48435 C C . VAL KA 56 ? 1.0818 0.7960 0.8287 0.1076 0.0371 -0.0680 56 VAL Z C +48436 O O . VAL KA 56 ? 0.9873 0.7036 0.7326 0.1064 0.0395 -0.0688 56 VAL Z O +48437 C CB . VAL KA 56 ? 1.2832 1.0003 1.0350 0.1182 0.0390 -0.0695 56 VAL Z CB +48438 C CG1 . VAL KA 56 ? 1.0896 0.8043 0.8360 0.1207 0.0425 -0.0719 56 VAL Z CG1 +48439 C CG2 . VAL KA 56 ? 1.1681 0.8940 0.9286 0.1224 0.0398 -0.0691 56 VAL Z CG2 +48440 N N . LEU KA 57 ? 1.1413 0.8459 0.8827 0.1053 0.0336 -0.0675 57 LEU Z N +48441 C CA . LEU KA 57 ? 1.0483 0.7446 0.7815 0.1013 0.0324 -0.0681 57 LEU Z CA +48442 C C . LEU KA 57 ? 1.3839 1.0865 1.1204 0.0959 0.0321 -0.0667 57 LEU Z C +48443 O O . LEU KA 57 ? 1.2507 0.9487 0.9811 0.0931 0.0320 -0.0674 57 LEU Z O +48444 C CB . LEU KA 57 ? 1.2229 0.9084 0.9506 0.0997 0.0286 -0.0678 57 LEU Z CB +48445 C CG . LEU KA 57 ? 1.2584 0.9333 0.9784 0.1043 0.0288 -0.0699 57 LEU Z CG +48446 C CD1 . LEU KA 57 ? 1.2437 0.9072 0.9574 0.1017 0.0251 -0.0697 57 LEU Z CD1 +48447 C CD2 . LEU KA 57 ? 1.1508 0.8222 0.8643 0.1063 0.0316 -0.0724 57 LEU Z CD2 +48448 N N . ASN KA 58 ? 1.3029 1.0158 1.0487 0.0944 0.0321 -0.0647 58 ASN Z N +48449 C CA . ASN KA 58 ? 1.1871 0.9062 0.9362 0.0894 0.0319 -0.0632 58 ASN Z CA +48450 C C . ASN KA 58 ? 1.2611 0.9827 1.0080 0.0896 0.0352 -0.0645 58 ASN Z C +48451 O O . ASN KA 58 ? 1.1255 0.8456 0.8690 0.0857 0.0347 -0.0643 58 ASN Z O +48452 C CB . ASN KA 58 ? 1.0595 0.7895 0.8191 0.0886 0.0317 -0.0611 58 ASN Z CB +48453 C CG . ASN KA 58 ? 1.1406 0.8785 0.9045 0.0843 0.0323 -0.0597 58 ASN Z CG +48454 O OD1 . ASN KA 58 ? 0.9985 0.7350 0.7619 0.0796 0.0297 -0.0584 58 ASN Z OD1 +48455 N ND2 . ASN KA 58 ? 0.8962 0.6423 0.6643 0.0860 0.0359 -0.0601 58 ASN Z ND2 +48456 N N . PHE KA 59 ? 0.9919 0.7171 0.7403 0.0944 0.0387 -0.0659 59 PHE Z N +48457 C CA . PHE KA 59 ? 1.1005 0.8294 0.8478 0.0947 0.0424 -0.0669 59 PHE Z CA +48458 C C . PHE KA 59 ? 1.2006 0.9195 0.9371 0.0952 0.0430 -0.0690 59 PHE Z C +48459 O O . PHE KA 59 ? 1.3435 1.0642 1.0778 0.0951 0.0459 -0.0698 59 PHE Z O +48460 C CB . PHE KA 59 ? 1.1558 0.8930 0.9093 0.0995 0.0461 -0.0676 59 PHE Z CB +48461 C CG . PHE KA 59 ? 1.2751 1.0236 1.0396 0.0986 0.0460 -0.0657 59 PHE Z CG +48462 C CD1 . PHE KA 59 ? 1.1109 0.8686 0.8809 0.0960 0.0480 -0.0647 59 PHE Z CD1 +48463 C CD2 . PHE KA 59 ? 1.1581 0.9074 0.9270 0.1002 0.0437 -0.0648 59 PHE Z CD2 +48464 C CE1 . PHE KA 59 ? 1.2067 0.9745 0.9865 0.0951 0.0478 -0.0630 59 PHE Z CE1 +48465 C CE2 . PHE KA 59 ? 1.2622 1.0218 1.0410 0.0994 0.0434 -0.0631 59 PHE Z CE2 +48466 C CZ . PHE KA 59 ? 1.2091 0.9779 0.9933 0.0968 0.0455 -0.0622 59 PHE Z CZ +48467 N N . PHE KA 60 ? 1.2134 0.9214 0.9428 0.0955 0.0404 -0.0698 60 PHE Z N +48468 C CA . PHE KA 60 ? 1.3452 1.0430 1.0640 0.0953 0.0402 -0.0717 60 PHE Z CA +48469 C C . PHE KA 60 ? 1.2096 0.9024 0.9243 0.0896 0.0367 -0.0709 60 PHE Z C +48470 O O . PHE KA 60 ? 1.3480 1.0330 1.0541 0.0886 0.0364 -0.0724 60 PHE Z O +48471 C CB . PHE KA 60 ? 1.1627 0.8508 0.8754 0.0994 0.0397 -0.0736 60 PHE Z CB +48472 C CG . PHE KA 60 ? 1.5739 1.2658 1.2894 0.1054 0.0431 -0.0748 60 PHE Z CG +48473 C CD1 . PHE KA 60 ? 1.6281 1.3204 1.3403 0.1083 0.0469 -0.0767 60 PHE Z CD1 +48474 C CD2 . PHE KA 60 ? 1.1699 0.8654 0.8917 0.1083 0.0425 -0.0740 60 PHE Z CD2 +48475 C CE1 . PHE KA 60 ? 1.8255 1.5220 1.5408 0.1139 0.0502 -0.0778 60 PHE Z CE1 +48476 C CE2 . PHE KA 60 ? 1.4054 1.1050 1.1304 0.1140 0.0455 -0.0752 60 PHE Z CE2 +48477 C CZ . PHE KA 60 ? 1.7668 1.4671 1.4887 0.1168 0.0494 -0.0771 60 PHE Z CZ +48478 N N . VAL KA 61 ? 1.1963 0.8933 0.9169 0.0859 0.0341 -0.0686 61 VAL Z N +48479 C CA . VAL KA 61 ? 1.2224 0.9158 0.9403 0.0804 0.0307 -0.0677 61 VAL Z CA +48480 C C . VAL KA 61 ? 1.1984 0.9011 0.9223 0.0767 0.0310 -0.0658 61 VAL Z C +48481 O O . VAL KA 61 ? 1.3179 1.0188 1.0400 0.0721 0.0284 -0.0651 61 VAL Z O +48482 C CB . VAL KA 61 ? 1.2289 0.9174 0.9472 0.0789 0.0269 -0.0668 61 VAL Z CB +48483 C CG1 . VAL KA 61 ? 1.3120 1.0098 1.0406 0.0780 0.0262 -0.0644 61 VAL Z CG1 +48484 C CG2 . VAL KA 61 ? 1.4975 1.1786 1.2099 0.0742 0.0235 -0.0669 61 VAL Z CG2 +48485 N N . VAL KA 62 ? 1.3811 1.0936 1.1119 0.0785 0.0341 -0.0652 62 VAL Z N +48486 C CA . VAL KA 62 ? 1.4298 1.1515 1.1667 0.0753 0.0347 -0.0634 62 VAL Z CA +48487 C C . VAL KA 62 ? 1.4639 1.1889 1.1991 0.0765 0.0387 -0.0643 62 VAL Z C +48488 O O . VAL KA 62 ? 1.6388 1.3666 1.3754 0.0807 0.0421 -0.0654 62 VAL Z O +48489 C CB . VAL KA 62 ? 1.4154 1.1465 1.1627 0.0757 0.0347 -0.0615 62 VAL Z CB +48490 C CG1 . VAL KA 62 ? 1.4573 1.1987 1.2110 0.0737 0.0368 -0.0601 62 VAL Z CG1 +48491 C CG2 . VAL KA 62 ? 1.0895 0.8182 0.8387 0.0729 0.0306 -0.0600 62 VAL Z CG2 +48492 O OXT . VAL KA 62 ? 1.6624 1.3874 1.3948 0.0733 0.0386 -0.0640 62 VAL Z OXT +48493 N N . ASP LA 1 ? 1.6496 1.4472 1.5431 -0.1356 -0.0597 -0.0512 2 ASP R N +48494 C CA . ASP LA 1 ? 1.5558 1.3495 1.4429 -0.1300 -0.0603 -0.0506 2 ASP R CA +48495 C C . ASP LA 1 ? 1.4915 1.2726 1.3702 -0.1290 -0.0584 -0.0500 2 ASP R C +48496 O O . ASP LA 1 ? 1.4522 1.2293 1.3301 -0.1295 -0.0553 -0.0478 2 ASP R O +48497 C CB . ASP LA 1 ? 1.4518 1.2522 1.3415 -0.1253 -0.0591 -0.0479 2 ASP R CB +48498 C CG . ASP LA 1 ? 1.3806 1.1793 1.2650 -0.1197 -0.0602 -0.0477 2 ASP R CG +48499 O OD1 . ASP LA 1 ? 1.4530 1.2454 1.3316 -0.1192 -0.0619 -0.0497 2 ASP R OD1 +48500 O OD2 . ASP LA 1 ? 1.5228 1.3268 1.4090 -0.1159 -0.0594 -0.0456 2 ASP R OD2 +48501 N N . TRP LA 2 ? 1.3614 1.1363 1.2337 -0.1274 -0.0603 -0.0519 3 TRP R N +48502 C CA . TRP LA 2 ? 1.3853 1.1479 1.2494 -0.1265 -0.0587 -0.0517 3 TRP R CA +48503 C C . TRP LA 2 ? 1.3744 1.1343 1.2348 -0.1210 -0.0562 -0.0488 3 TRP R C +48504 O O . TRP LA 2 ? 1.3057 1.0568 1.1612 -0.1205 -0.0539 -0.0476 3 TRP R O +48505 C CB . TRP LA 2 ? 1.3588 1.1155 1.2170 -0.1263 -0.0614 -0.0548 3 TRP R CB +48506 C CG . TRP LA 2 ? 1.5568 1.3171 1.4131 -0.1215 -0.0634 -0.0552 3 TRP R CG +48507 C CD1 . TRP LA 2 ? 1.5720 1.3408 1.4323 -0.1214 -0.0664 -0.0567 3 TRP R CD1 +48508 C CD2 . TRP LA 2 ? 1.5589 1.3140 1.4086 -0.1159 -0.0624 -0.0541 3 TRP R CD2 +48509 N NE1 . TRP LA 2 ? 1.5924 1.3614 1.4487 -0.1162 -0.0673 -0.0566 3 TRP R NE1 +48510 C CE2 . TRP LA 2 ? 1.5810 1.3419 1.4310 -0.1129 -0.0648 -0.0550 3 TRP R CE2 +48511 C CE3 . TRP LA 2 ? 1.3902 1.1366 1.2339 -0.1132 -0.0598 -0.0525 3 TRP R CE3 +48512 C CZ2 . TRP LA 2 ? 1.3289 1.0869 1.1734 -0.1075 -0.0645 -0.0544 3 TRP R CZ2 +48513 C CZ3 . TRP LA 2 ? 1.3899 1.1339 1.2284 -0.1077 -0.0595 -0.0519 3 TRP R CZ3 +48514 C CH2 . TRP LA 2 ? 1.4390 1.1888 1.2780 -0.1050 -0.0618 -0.0528 3 TRP R CH2 +48515 N N . ARG LA 3 ? 1.4734 1.2406 1.3361 -0.1168 -0.0566 -0.0476 4 ARG R N +48516 C CA . ARG LA 3 ? 1.1815 0.9468 1.0412 -0.1117 -0.0543 -0.0449 4 ARG R CA +48517 C C . ARG LA 3 ? 1.1400 0.9056 1.0025 -0.1126 -0.0512 -0.0421 4 ARG R C +48518 O O . ARG LA 3 ? 1.1576 0.9180 1.0162 -0.1095 -0.0489 -0.0401 4 ARG R O +48519 C CB . ARG LA 3 ? 1.2922 1.0656 1.1542 -0.1074 -0.0554 -0.0442 4 ARG R CB +48520 C CG . ARG LA 3 ? 1.3232 1.0973 1.1828 -0.1065 -0.0585 -0.0468 4 ARG R CG +48521 C CD . ARG LA 3 ? 1.3427 1.1278 1.2092 -0.1073 -0.0606 -0.0473 4 ARG R CD +48522 N NE . ARG LA 3 ? 1.0808 0.8710 0.9475 -0.1024 -0.0607 -0.0459 4 ARG R NE +48523 C CZ . ARG LA 3 ? 1.2027 1.0026 1.0755 -0.1018 -0.0612 -0.0450 4 ARG R CZ +48524 N NH1 . ARG LA 3 ? 1.1534 0.9596 1.0331 -0.1055 -0.0614 -0.0450 4 ARG R NH1 +48525 N NH2 . ARG LA 3 ? 1.0449 0.8484 0.9169 -0.0974 -0.0614 -0.0440 4 ARG R NH2 +48526 N N . VAL LA 4 ? 1.2697 1.0416 1.1390 -0.1167 -0.0510 -0.0420 5 VAL R N +48527 C CA . VAL LA 4 ? 1.1918 0.9633 1.0635 -0.1182 -0.0480 -0.0395 5 VAL R CA +48528 C C . VAL LA 4 ? 1.3085 1.0683 1.1742 -0.1201 -0.0463 -0.0396 5 VAL R C +48529 O O . VAL LA 4 ? 1.3070 1.0622 1.1702 -0.1184 -0.0436 -0.0372 5 VAL R O +48530 C CB . VAL LA 4 ? 1.2833 1.0636 1.1633 -0.1226 -0.0482 -0.0398 5 VAL R CB +48531 C CG1 . VAL LA 4 ? 1.2491 1.0291 1.1312 -0.1238 -0.0449 -0.0371 5 VAL R CG1 +48532 C CG2 . VAL LA 4 ? 1.2397 1.0312 1.1252 -0.1206 -0.0503 -0.0401 5 VAL R CG2 +48533 N N . LEU LA 5 ? 1.4266 1.1812 1.2897 -0.1236 -0.0479 -0.0423 6 LEU R N +48534 C CA . LEU LA 5 ? 1.4024 1.1453 1.2596 -0.1257 -0.0463 -0.0424 6 LEU R CA +48535 C C . LEU LA 5 ? 1.4089 1.1431 1.2578 -0.1207 -0.0457 -0.0418 6 LEU R C +48536 O O . LEU LA 5 ? 1.2503 0.9763 1.0947 -0.1201 -0.0433 -0.0403 6 LEU R O +48537 C CB . LEU LA 5 ? 1.5938 1.3338 1.4507 -0.1310 -0.0483 -0.0457 6 LEU R CB +48538 C CG . LEU LA 5 ? 1.6257 1.3561 1.4794 -0.1354 -0.0464 -0.0457 6 LEU R CG +48539 C CD1 . LEU LA 5 ? 1.8135 1.5460 1.6712 -0.1418 -0.0480 -0.0485 6 LEU R CD1 +48540 C CD2 . LEU LA 5 ? 1.3959 1.1134 1.2399 -0.1330 -0.0459 -0.0461 6 LEU R CD2 +48541 N N . VAL LA 6 ? 1.1738 0.9096 1.0206 -0.1170 -0.0477 -0.0430 7 VAL R N +48542 C CA . VAL LA 6 ? 1.2505 0.9792 1.0900 -0.1119 -0.0471 -0.0425 7 VAL R CA +48543 C C . VAL LA 6 ? 1.5508 1.2802 1.3905 -0.1079 -0.0443 -0.0391 7 VAL R C +48544 O O . VAL LA 6 ? 1.3020 1.0232 1.1357 -0.1050 -0.0428 -0.0382 7 VAL R O +48545 C CB . VAL LA 6 ? 1.3373 1.0695 1.1757 -0.1088 -0.0496 -0.0442 7 VAL R CB +48546 C CG1 . VAL LA 6 ? 1.2261 0.9527 1.0580 -0.1030 -0.0487 -0.0434 7 VAL R CG1 +48547 C CG2 . VAL LA 6 ? 1.2662 0.9958 1.1031 -0.1124 -0.0523 -0.0476 7 VAL R CG2 +48548 N N . VAL LA 7 ? 1.2488 0.9879 1.0952 -0.1077 -0.0438 -0.0374 8 VAL R N +48549 C CA . VAL LA 7 ? 1.1556 0.8963 1.0026 -0.1038 -0.0414 -0.0343 8 VAL R CA +48550 C C . VAL LA 7 ? 1.2216 0.9577 1.0683 -0.1062 -0.0388 -0.0324 8 VAL R C +48551 O O . VAL LA 7 ? 1.1889 0.9199 1.0319 -0.1031 -0.0368 -0.0304 8 VAL R O +48552 C CB . VAL LA 7 ? 1.1434 0.8962 0.9973 -0.1023 -0.0420 -0.0333 8 VAL R CB +48553 C CG1 . VAL LA 7 ? 1.0006 0.7557 0.8559 -0.0993 -0.0396 -0.0301 8 VAL R CG1 +48554 C CG2 . VAL LA 7 ? 1.0212 0.7772 0.8740 -0.0990 -0.0442 -0.0347 8 VAL R CG2 +48555 N N . LEU LA 8 ? 1.1264 0.8645 0.9772 -0.1117 -0.0388 -0.0330 9 LEU R N +48556 C CA . LEU LA 8 ? 1.2005 0.9343 1.0511 -0.1142 -0.0361 -0.0312 9 LEU R CA +48557 C C . LEU LA 8 ? 1.4076 1.1282 1.2504 -0.1152 -0.0352 -0.0318 9 LEU R C +48558 O O . LEU LA 8 ? 1.1640 0.8786 1.0038 -0.1148 -0.0328 -0.0298 9 LEU R O +48559 C CB . LEU LA 8 ? 1.2777 1.0178 1.1351 -0.1199 -0.0362 -0.0318 9 LEU R CB +48560 C CG . LEU LA 8 ? 1.4206 1.1734 1.2859 -0.1189 -0.0365 -0.0307 9 LEU R CG +48561 C CD1 . LEU LA 8 ? 1.5123 1.2715 1.3845 -0.1246 -0.0369 -0.0317 9 LEU R CD1 +48562 C CD2 . LEU LA 8 ? 1.4599 1.2133 1.3251 -0.1155 -0.0340 -0.0275 9 LEU R CD2 +48563 N N . LEU LA 9 ? 1.1284 0.8441 0.9673 -0.1161 -0.0372 -0.0345 10 LEU R N +48564 C CA . LEU LA 9 ? 1.3647 1.0676 1.1961 -0.1174 -0.0365 -0.0353 10 LEU R CA +48565 C C . LEU LA 9 ? 1.2580 0.9531 1.0829 -0.1124 -0.0346 -0.0333 10 LEU R C +48566 O O . LEU LA 9 ? 1.3573 1.0440 1.1784 -0.1138 -0.0326 -0.0322 10 LEU R O +48567 C CB . LEU LA 9 ? 1.2499 0.9498 1.0784 -0.1186 -0.0392 -0.0387 10 LEU R CB +48568 C CG . LEU LA 9 ? 1.3970 1.0836 1.2173 -0.1197 -0.0391 -0.0402 10 LEU R CG +48569 C CD1 . LEU LA 9 ? 1.5090 1.1896 1.3288 -0.1249 -0.0372 -0.0397 10 LEU R CD1 +48570 C CD2 . LEU LA 9 ? 1.3784 1.0646 1.1975 -0.1213 -0.0421 -0.0437 10 LEU R CD2 +48571 N N . PRO LA 10 ? 1.4352 1.1323 1.2586 -0.1066 -0.0351 -0.0327 11 PRO R N +48572 C CA . PRO LA 10 ? 1.1855 0.8758 1.0033 -0.1019 -0.0331 -0.0307 11 PRO R CA +48573 C C . PRO LA 10 ? 1.5169 1.2089 1.3372 -0.1019 -0.0307 -0.0277 11 PRO R C +48574 O O . PRO LA 10 ? 1.2869 0.9708 1.1020 -0.0999 -0.0289 -0.0262 11 PRO R O +48575 C CB . PRO LA 10 ? 1.1735 0.8687 0.9913 -0.0962 -0.0342 -0.0308 11 PRO R CB +48576 C CG . PRO LA 10 ? 1.2483 0.9490 1.0688 -0.0981 -0.0368 -0.0334 11 PRO R CG +48577 C CD . PRO LA 10 ? 1.1152 0.8209 0.9417 -0.1040 -0.0372 -0.0338 11 PRO R CD +48578 N N . VAL LA 11 ? 1.2188 0.9209 1.0466 -0.1039 -0.0306 -0.0268 12 VAL R N +48579 C CA . VAL LA 11 ? 1.3320 1.0357 1.1621 -0.1042 -0.0283 -0.0240 12 VAL R CA +48580 C C . VAL LA 11 ? 1.4400 1.1367 1.2684 -0.1095 -0.0268 -0.0239 12 VAL R C +48581 O O . VAL LA 11 ? 1.1404 0.8311 0.9655 -0.1089 -0.0246 -0.0218 12 VAL R O +48582 C CB . VAL LA 11 ? 1.1447 0.8615 0.9833 -0.1045 -0.0286 -0.0231 12 VAL R CB +48583 C CG1 . VAL LA 11 ? 1.0276 0.7458 0.8685 -0.1055 -0.0262 -0.0204 12 VAL R CG1 +48584 C CG2 . VAL LA 11 ? 1.3118 1.0343 1.1513 -0.0989 -0.0296 -0.0227 12 VAL R CG2 +48585 N N . LEU LA 12 ? 1.3770 1.0743 1.2075 -0.1148 -0.0280 -0.0262 13 LEU R N +48586 C CA . LEU LA 12 ? 1.4144 1.1054 1.2437 -0.1203 -0.0265 -0.0263 13 LEU R CA +48587 C C . LEU LA 12 ? 1.3674 1.0442 1.1874 -0.1194 -0.0255 -0.0263 13 LEU R C +48588 O O . LEU LA 12 ? 1.3890 1.0590 1.2062 -0.1212 -0.0232 -0.0247 13 LEU R O +48589 C CB . LEU LA 12 ? 1.3956 1.0905 1.2292 -0.1260 -0.0283 -0.0292 13 LEU R CB +48590 C CG . LEU LA 12 ? 1.5968 1.3048 1.4400 -0.1285 -0.0286 -0.0289 13 LEU R CG +48591 C CD1 . LEU LA 12 ? 1.5102 1.2223 1.3575 -0.1335 -0.0309 -0.0321 13 LEU R CD1 +48592 C CD2 . LEU LA 12 ? 1.4113 1.1195 1.2567 -0.1311 -0.0257 -0.0265 13 LEU R CD2 +48593 N N . LEU LA 13 ? 1.3967 1.0684 1.2116 -0.1165 -0.0271 -0.0280 14 LEU R N +48594 C CA . LEU LA 13 ? 1.4596 1.1176 1.2653 -0.1151 -0.0263 -0.0281 14 LEU R CA +48595 C C . LEU LA 13 ? 1.5010 1.1552 1.3032 -0.1103 -0.0242 -0.0250 14 LEU R C +48596 O O . LEU LA 13 ? 1.5277 1.1707 1.3233 -0.1103 -0.0226 -0.0242 14 LEU R O +48597 C CB . LEU LA 13 ? 1.3156 0.9701 1.1171 -0.1126 -0.0284 -0.0305 14 LEU R CB +48598 C CG . LEU LA 13 ? 1.5530 1.2106 1.3573 -0.1172 -0.0308 -0.0337 14 LEU R CG +48599 C CD1 . LEU LA 13 ? 1.4503 1.1055 1.2505 -0.1139 -0.0330 -0.0360 14 LEU R CD1 +48600 C CD2 . LEU LA 13 ? 1.6079 1.2579 1.4103 -0.1235 -0.0301 -0.0348 14 LEU R CD2 +48601 N N . ALA LA 14 ? 1.4111 1.0742 1.2174 -0.1061 -0.0242 -0.0234 15 ALA R N +48602 C CA . ALA LA 14 ? 1.3814 1.0420 1.1850 -0.1015 -0.0223 -0.0206 15 ALA R CA +48603 C C . ALA LA 14 ? 1.5527 1.2130 1.3581 -0.1045 -0.0200 -0.0183 15 ALA R C +48604 O O . ALA LA 14 ? 1.1897 0.8427 0.9901 -0.1023 -0.0183 -0.0163 15 ALA R O +48605 C CB . ALA LA 14 ? 1.3359 1.0064 1.1436 -0.0963 -0.0231 -0.0197 15 ALA R CB +48606 N N . ALA LA 15 ? 1.3969 1.0651 1.2091 -0.1093 -0.0200 -0.0186 16 ALA R N +48607 C CA . ALA LA 15 ? 1.4505 1.1181 1.2643 -0.1129 -0.0177 -0.0167 16 ALA R CA +48608 C C . ALA LA 15 ? 1.5901 1.2446 1.3972 -0.1163 -0.0163 -0.0169 16 ALA R C +48609 O O . ALA LA 15 ? 1.2318 0.8798 1.0349 -0.1159 -0.0140 -0.0147 16 ALA R O +48610 C CB . ALA LA 15 ? 1.2977 0.9765 1.1205 -0.1176 -0.0181 -0.0174 16 ALA R CB +48611 N N . GLY LA 16 ? 1.3134 0.9636 1.1187 -0.1197 -0.0176 -0.0197 17 GLY R N +48612 C CA . GLY LA 16 ? 1.4050 1.0425 1.2037 -0.1233 -0.0164 -0.0201 17 GLY R CA +48613 C C . GLY LA 16 ? 1.2547 0.8800 1.0439 -0.1187 -0.0156 -0.0191 17 GLY R C +48614 O O . GLY LA 16 ? 1.3573 0.9724 1.1410 -0.1204 -0.0136 -0.0179 17 GLY R O +48615 N N . TRP LA 17 ? 1.4283 1.0544 1.2155 -0.1128 -0.0172 -0.0196 18 TRP R N +48616 C CA . TRP LA 17 ? 1.3412 0.9562 1.1196 -0.1079 -0.0166 -0.0187 18 TRP R CA +48617 C C . TRP LA 17 ? 1.5041 1.1176 1.2809 -0.1048 -0.0145 -0.0154 18 TRP R C +48618 O O . TRP LA 17 ? 1.3759 0.9778 1.1451 -0.1035 -0.0131 -0.0143 18 TRP R O +48619 C CB . TRP LA 17 ? 1.4077 1.0254 1.1853 -0.1023 -0.0186 -0.0200 18 TRP R CB +48620 C CG . TRP LA 17 ? 1.4713 1.0795 1.2409 -0.0965 -0.0181 -0.0191 18 TRP R CG +48621 C CD1 . TRP LA 17 ? 1.3219 0.9332 1.0914 -0.0901 -0.0179 -0.0174 18 TRP R CD1 +48622 C CD2 . TRP LA 17 ? 1.6274 1.2214 1.3880 -0.0964 -0.0178 -0.0200 18 TRP R CD2 +48623 N NE1 . TRP LA 17 ? 1.4725 1.0728 1.2337 -0.0860 -0.0175 -0.0172 18 TRP R NE1 +48624 C CE2 . TRP LA 17 ? 1.4915 1.0809 1.2469 -0.0896 -0.0174 -0.0187 18 TRP R CE2 +48625 C CE3 . TRP LA 17 ? 1.4002 0.9849 1.1565 -0.1013 -0.0178 -0.0218 18 TRP R CE3 +48626 C CZ2 . TRP LA 17 ? 1.4564 1.0322 1.2025 -0.0875 -0.0170 -0.0192 18 TRP R CZ2 +48627 C CZ3 . TRP LA 17 ? 1.6424 1.2133 1.3892 -0.0994 -0.0173 -0.0222 18 TRP R CZ3 +48628 C CH2 . TRP LA 17 ? 1.4767 1.0432 1.2185 -0.0924 -0.0170 -0.0209 18 TRP R CH2 +48629 N N . ALA LA 18 ? 1.4199 1.0446 1.2035 -0.1036 -0.0142 -0.0138 19 ALA R N +48630 C CA . ALA LA 18 ? 1.5832 1.2069 1.3656 -0.1009 -0.0123 -0.0107 19 ALA R CA +48631 C C . ALA LA 18 ? 1.5064 1.1243 1.2871 -0.1061 -0.0099 -0.0094 19 ALA R C +48632 O O . ALA LA 18 ? 1.2448 0.8552 1.0202 -0.1041 -0.0082 -0.0071 19 ALA R O +48633 C CB . ALA LA 18 ? 1.1406 0.7781 0.9308 -0.0985 -0.0127 -0.0095 19 ALA R CB +48634 N N . VAL LA 19 ? 1.2093 0.8302 0.9943 -0.1126 -0.0099 -0.0108 20 VAL R N +48635 C CA . VAL LA 19 ? 1.6592 1.2747 1.4429 -0.1181 -0.0074 -0.0098 20 VAL R CA +48636 C C . VAL LA 19 ? 1.7088 1.3083 1.4827 -0.1189 -0.0065 -0.0100 20 VAL R C +48637 O O . VAL LA 19 ? 1.5224 1.1138 1.2913 -0.1196 -0.0042 -0.0079 20 VAL R O +48638 C CB . VAL LA 19 ? 1.4869 1.1104 1.2783 -0.1248 -0.0078 -0.0115 20 VAL R CB +48639 C CG1 . VAL LA 19 ? 1.5442 1.1602 1.3333 -0.1311 -0.0054 -0.0111 20 VAL R CG1 +48640 C CG2 . VAL LA 19 ? 1.2520 0.8899 1.0524 -0.1242 -0.0079 -0.0106 20 VAL R CG2 +48641 N N . ARG LA 20 ? 1.5011 1.0954 1.2714 -0.1186 -0.0083 -0.0125 21 ARG R N +48642 C CA . ARG LA 20 ? 1.6630 1.2418 1.4235 -0.1188 -0.0076 -0.0129 21 ARG R CA +48643 C C . ARG LA 20 ? 1.6349 1.2059 1.3883 -0.1128 -0.0064 -0.0103 21 ARG R C +48644 O O . ARG LA 20 ? 1.8281 1.3878 1.5748 -0.1141 -0.0044 -0.0089 21 ARG R O +48645 C CB . ARG LA 20 ? 1.3915 0.9671 1.1494 -0.1181 -0.0099 -0.0160 21 ARG R CB +48646 C CG . ARG LA 20 ? 1.8278 1.4023 1.5876 -0.1253 -0.0105 -0.0187 21 ARG R CG +48647 C CD . ARG LA 20 ? 2.2698 1.8311 2.0210 -0.1254 -0.0113 -0.0207 21 ARG R CD +48648 N NE . ARG LA 20 ? 2.3488 1.9089 2.1017 -0.1324 -0.0120 -0.0234 21 ARG R NE +48649 C CZ . ARG LA 20 ? 2.1998 1.7474 1.9455 -0.1347 -0.0120 -0.0252 21 ARG R CZ +48650 N NH1 . ARG LA 20 ? 1.9349 1.4698 1.6710 -0.1306 -0.0114 -0.0244 21 ARG R NH1 +48651 N NH2 . ARG LA 20 ? 1.9632 1.5111 1.7114 -0.1413 -0.0128 -0.0277 21 ARG R NH2 +48652 N N . ASN LA 21 ? 1.3603 0.9375 1.1153 -0.1063 -0.0076 -0.0096 22 ASN R N +48653 C CA . ASN LA 21 ? 1.4614 1.0319 1.2099 -0.1000 -0.0069 -0.0075 22 ASN R CA +48654 C C . ASN LA 21 ? 1.5736 1.1461 1.3233 -0.0996 -0.0049 -0.0043 22 ASN R C +48655 O O . ASN LA 21 ? 1.5164 1.0824 1.2602 -0.0948 -0.0041 -0.0023 22 ASN R O +48656 C CB . ASN LA 21 ? 1.5462 1.1231 1.2965 -0.0933 -0.0089 -0.0080 22 ASN R CB +48657 C CG . ASN LA 21 ? 1.6295 1.2029 1.3771 -0.0925 -0.0108 -0.0110 22 ASN R CG +48658 O OD1 . ASN LA 21 ? 1.5945 1.1585 1.3347 -0.0884 -0.0110 -0.0112 22 ASN R OD1 +48659 N ND2 . ASN LA 21 ? 1.5206 1.1015 1.2741 -0.0963 -0.0122 -0.0133 22 ASN R ND2 +48660 N N . ILE LA 22 ? 1.4012 0.9823 1.1579 -0.1042 -0.0039 -0.0037 23 ILE R N +48661 C CA . ILE LA 22 ? 1.6306 1.2148 1.3889 -0.1035 -0.0021 -0.0008 23 ILE R CA +48662 C C . ILE LA 22 ? 1.5983 1.1787 1.3563 -0.1102 0.0004 0.0001 23 ILE R C +48663 O O . ILE LA 22 ? 1.6857 1.2649 1.4424 -0.1096 0.0024 0.0028 23 ILE R O +48664 C CB . ILE LA 22 ? 1.4094 1.0093 1.1770 -0.1015 -0.0031 -0.0004 23 ILE R CB +48665 C CG1 . ILE LA 22 ? 1.2528 0.8536 1.0189 -0.0965 -0.0022 0.0026 23 ILE R CG1 +48666 C CG2 . ILE LA 22 ? 1.1471 0.7565 0.9230 -0.1078 -0.0025 -0.0009 23 ILE R CG2 +48667 C CD1 . ILE LA 22 ? 1.1727 0.7659 0.9317 -0.0898 -0.0030 0.0031 23 ILE R CD1 +48668 N N . LEU LA 23 ? 1.6783 1.2567 1.4375 -0.1164 0.0005 -0.0020 24 LEU R N +48669 C CA . LEU LA 23 ? 1.8691 1.4460 1.6296 -0.1232 0.0030 -0.0012 24 LEU R CA +48670 C C . LEU LA 23 ? 1.9006 1.4637 1.6519 -0.1234 0.0056 0.0011 24 LEU R C +48671 O O . LEU LA 23 ? 1.7899 1.3542 1.5428 -0.1266 0.0081 0.0030 24 LEU R O +48672 C CB . LEU LA 23 ? 1.8574 1.4343 1.6206 -0.1298 0.0023 -0.0042 24 LEU R CB +48673 C CG . LEU LA 23 ? 1.8752 1.4553 1.6432 -0.1374 0.0045 -0.0041 24 LEU R CG +48674 C CD1 . LEU LA 23 ? 1.6041 1.1970 1.3800 -0.1367 0.0053 -0.0023 24 LEU R CD1 +48675 C CD2 . LEU LA 23 ? 1.4814 1.0653 1.2543 -0.1430 0.0030 -0.0074 24 LEU R CD2 +48676 N N . PRO LA 24 ? 1.9566 1.5065 1.6983 -0.1201 0.0055 0.0012 25 PRO R N +48677 C CA . PRO LA 24 ? 1.9099 1.4471 1.6428 -0.1197 0.0080 0.0038 25 PRO R CA +48678 C C . PRO LA 24 ? 1.8127 1.3545 1.5466 -0.1159 0.0091 0.0069 25 PRO R C +48679 O O . PRO LA 24 ? 1.6803 1.2187 1.4125 -0.1189 0.0118 0.0089 25 PRO R O +48680 C CB . PRO LA 24 ? 1.7714 1.2960 1.4947 -0.1151 0.0069 0.0032 25 PRO R CB +48681 C CG . PRO LA 24 ? 1.7110 1.2435 1.4387 -0.1118 0.0038 0.0007 25 PRO R CG +48682 C CD . PRO LA 24 ? 1.6193 1.1640 1.3570 -0.1174 0.0032 -0.0011 25 PRO R CD +48683 N N . TYR LA 25 ? 1.7199 1.2693 1.4565 -0.1094 0.0072 0.0072 26 TYR R N +48684 C CA . TYR LA 25 ? 1.6482 1.2023 1.3859 -0.1057 0.0080 0.0100 26 TYR R CA +48685 C C . TYR LA 25 ? 1.6668 1.2342 1.4142 -0.1095 0.0088 0.0104 26 TYR R C +48686 O O . TYR LA 25 ? 1.4416 1.0103 1.1890 -0.1092 0.0106 0.0129 26 TYR R O +48687 C CB . TYR LA 25 ? 1.3918 0.9501 1.1296 -0.0977 0.0056 0.0101 26 TYR R CB +48688 C CG . TYR LA 25 ? 1.6960 1.2454 1.4275 -0.0944 0.0040 0.0084 26 TYR R CG +48689 C CD1 . TYR LA 25 ? 1.8248 1.3599 1.5458 -0.0913 0.0047 0.0096 26 TYR R CD1 +48690 C CD2 . TYR LA 25 ? 1.9309 1.4861 1.6665 -0.0941 0.0017 0.0056 26 TYR R CD2 +48691 C CE1 . TYR LA 25 ? 1.8975 1.4245 1.6126 -0.0880 0.0033 0.0081 26 TYR R CE1 +48692 C CE2 . TYR LA 25 ? 1.8464 1.3935 1.5761 -0.0909 0.0003 0.0040 26 TYR R CE2 +48693 C CZ . TYR LA 25 ? 1.8624 1.3954 1.5819 -0.0879 0.0011 0.0053 26 TYR R CZ +48694 O OH . TYR LA 25 ? 1.7537 1.2786 1.4673 -0.0846 -0.0002 0.0036 26 TYR R OH +48695 N N . ALA LA 26 ? 1.6034 1.1805 1.3589 -0.1131 0.0076 0.0080 27 ALA R N +48696 C CA . ALA LA 26 ? 1.6568 1.2465 1.4216 -0.1169 0.0083 0.0082 27 ALA R CA +48697 C C . ALA LA 26 ? 1.7226 1.3074 1.4861 -0.1231 0.0115 0.0094 27 ALA R C +48698 O O . ALA LA 26 ? 1.5701 1.1599 1.3365 -0.1238 0.0133 0.0114 27 ALA R O +48699 C CB . ALA LA 26 ? 1.4102 1.0102 1.1832 -0.1195 0.0062 0.0052 27 ALA R CB +48700 N N . VAL LA 27 ? 1.7038 1.2788 1.4629 -0.1278 0.0124 0.0082 28 VAL R N +48701 C CA . VAL LA 27 ? 1.6195 1.1882 1.3762 -0.1339 0.0157 0.0093 28 VAL R CA +48702 C C . VAL LA 27 ? 1.6948 1.2549 1.4438 -0.1306 0.0178 0.0127 28 VAL R C +48703 O O . VAL LA 27 ? 1.5320 1.0929 1.2818 -0.1335 0.0205 0.0146 28 VAL R O +48704 C CB . VAL LA 27 ? 1.4962 1.0545 1.2485 -0.1390 0.0161 0.0073 28 VAL R CB +48705 C CG1 . VAL LA 27 ? 1.8354 1.3842 1.5830 -0.1445 0.0198 0.0089 28 VAL R CG1 +48706 C CG2 . VAL LA 27 ? 1.6314 1.1996 1.3925 -0.1435 0.0143 0.0041 28 VAL R CG2 +48707 N N . LYS LA 28 ? 1.5636 1.1156 1.3050 -0.1242 0.0166 0.0134 29 LYS R N +48708 C CA . LYS LA 28 ? 1.3523 0.8957 1.0858 -0.1205 0.0183 0.0165 29 LYS R CA +48709 C C . LYS LA 28 ? 1.6449 1.1992 1.3836 -0.1172 0.0184 0.0185 29 LYS R C +48710 O O . LYS LA 28 ? 1.6529 1.2033 1.3880 -0.1172 0.0207 0.0211 29 LYS R O +48711 C CB . LYS LA 28 ? 1.5680 1.1006 1.2925 -0.1143 0.0167 0.0166 29 LYS R CB +48712 C CG . LYS LA 28 ? 1.9135 1.4282 1.6267 -0.1162 0.0187 0.0174 29 LYS R CG +48713 C CD . LYS LA 28 ? 1.8733 1.3812 1.5841 -0.1195 0.0178 0.0146 29 LYS R CD +48714 C CE . LYS LA 28 ? 2.1020 1.6046 1.8076 -0.1128 0.0151 0.0136 29 LYS R CE +48715 N NZ . LYS LA 28 ? 1.8452 1.3406 1.5480 -0.1157 0.0141 0.0108 29 LYS R NZ +48716 N N . GLN LA 29 ? 1.7914 1.3592 1.5385 -0.1145 0.0159 0.0173 30 GLN R N +48717 C CA . GLN LA 29 ? 1.5319 1.1105 1.2844 -0.1118 0.0160 0.0190 30 GLN R CA +48718 C C . GLN LA 29 ? 1.5537 1.1391 1.3124 -0.1180 0.0185 0.0195 30 GLN R C +48719 O O . GLN LA 29 ? 1.3708 0.9579 1.1293 -0.1173 0.0202 0.0219 30 GLN R O +48720 C CB . GLN LA 29 ? 1.5525 1.1434 1.3121 -0.1075 0.0129 0.0175 30 GLN R CB +48721 C CG . GLN LA 29 ? 1.5517 1.1523 1.3156 -0.1036 0.0128 0.0194 30 GLN R CG +48722 C CD . GLN LA 29 ? 1.4540 1.0687 1.2267 -0.1010 0.0101 0.0179 30 GLN R CD +48723 O OE1 . GLN LA 29 ? 1.1695 0.7847 0.9423 -0.0981 0.0078 0.0161 30 GLN R OE1 +48724 N NE2 . GLN LA 29 ? 1.1298 0.7558 0.9098 -0.1020 0.0106 0.0186 30 GLN R NE2 +48725 N N . VAL LA 30 ? 1.7969 1.3865 1.5612 -0.1240 0.0185 0.0172 31 VAL R N +48726 C CA . VAL LA 30 ? 1.6229 1.2193 1.3936 -0.1302 0.0209 0.0175 31 VAL R CA +48727 C C . VAL LA 30 ? 1.9089 1.4939 1.6724 -0.1337 0.0245 0.0195 31 VAL R C +48728 O O . VAL LA 30 ? 1.8469 1.4359 1.6130 -0.1360 0.0270 0.0212 31 VAL R O +48729 C CB . VAL LA 30 ? 1.7735 1.3764 1.5514 -0.1357 0.0199 0.0143 31 VAL R CB +48730 C CG1 . VAL LA 30 ? 1.6996 1.3095 1.4842 -0.1422 0.0224 0.0145 31 VAL R CG1 +48731 C CG2 . VAL LA 30 ? 1.6567 1.2711 1.4415 -0.1321 0.0163 0.0124 31 VAL R CG2 +48732 N N . GLN LA 31 ? 1.7424 1.3129 1.4966 -0.1341 0.0250 0.0195 32 GLN R N +48733 C CA . GLN LA 31 ? 1.8387 1.3971 1.5852 -0.1374 0.0286 0.0216 32 GLN R CA +48734 C C . GLN LA 31 ? 1.8223 1.3777 1.5637 -0.1326 0.0298 0.0249 32 GLN R C +48735 O O . GLN LA 31 ? 1.7258 1.2795 1.4660 -0.1356 0.0330 0.0268 32 GLN R O +48736 C CB . GLN LA 31 ? 1.8002 1.3433 1.5375 -0.1383 0.0286 0.0208 32 GLN R CB +48737 C CG . GLN LA 31 ? 1.9445 1.4872 1.6851 -0.1456 0.0289 0.0180 32 GLN R CG +48738 C CD . GLN LA 31 ? 2.0194 1.5474 1.7510 -0.1458 0.0284 0.0169 32 GLN R CD +48739 O OE1 . GLN LA 31 ? 1.9589 1.4766 1.6814 -0.1404 0.0279 0.0183 32 GLN R OE1 +48740 N NE2 . GLN LA 31 ? 2.1440 1.6708 1.8779 -0.1520 0.0285 0.0144 32 GLN R NE2 +48741 N N . LYS LA 32 ? 1.8500 1.4050 1.5884 -0.1250 0.0274 0.0255 33 LYS R N +48742 C CA . LYS LA 32 ? 1.7826 1.3347 1.5159 -0.1200 0.0281 0.0285 33 LYS R CA +48743 C C . LYS LA 32 ? 1.8538 1.4182 1.5947 -0.1210 0.0293 0.0296 33 LYS R C +48744 O O . LYS LA 32 ? 1.8878 1.4486 1.6247 -0.1207 0.0316 0.0322 33 LYS R O +48745 C CB . LYS LA 32 ? 1.4445 0.9958 1.1747 -0.1118 0.0250 0.0285 33 LYS R CB +48746 C CG . LYS LA 32 ? 1.9423 1.4774 1.6603 -0.1083 0.0251 0.0297 33 LYS R CG +48747 C CD . LYS LA 32 ? 2.0434 1.5701 1.7579 -0.1104 0.0243 0.0275 33 LYS R CD +48748 C CE . LYS LA 32 ? 1.9566 1.4856 1.6716 -0.1043 0.0207 0.0259 33 LYS R CE +48749 N NZ . LYS LA 32 ? 2.0898 1.6097 1.8004 -0.1059 0.0199 0.0237 33 LYS R NZ +48750 N N . LEU LA 33 ? 2.0325 1.6115 1.7842 -0.1220 0.0277 0.0278 34 LEU R N +48751 C CA . LEU LA 33 ? 2.0958 1.6871 1.8551 -0.1228 0.0286 0.0287 34 LEU R CA +48752 C C . LEU LA 33 ? 2.1238 1.7162 1.8864 -0.1306 0.0319 0.0286 34 LEU R C +48753 O O . LEU LA 33 ? 2.0018 1.6066 1.7736 -0.1333 0.0323 0.0280 34 LEU R O +48754 C CB . LEU LA 33 ? 1.8475 1.4536 1.6167 -0.1205 0.0255 0.0267 34 LEU R CB +48755 C CG . LEU LA 33 ? 1.6577 1.2769 1.4343 -0.1190 0.0255 0.0277 34 LEU R CG +48756 C CD1 . LEU LA 33 ? 1.4714 1.0889 1.2434 -0.1120 0.0248 0.0299 34 LEU R CD1 +48757 C CD2 . LEU LA 33 ? 1.7076 1.3404 1.4944 -0.1192 0.0230 0.0252 34 LEU R CD2 +48758 N N . LEU LA 34 ? 2.1510 1.7304 1.9060 -0.1344 0.0344 0.0293 35 LEU R N +48759 C CA . LEU LA 34 ? 2.0745 1.6536 1.8318 -0.1421 0.0380 0.0293 35 LEU R CA +48760 C C . LEU LA 34 ? 1.8980 1.4616 1.6442 -0.1437 0.0414 0.0317 35 LEU R C +48761 O O . LEU LA 34 ? 1.9388 1.4929 1.6760 -0.1384 0.0410 0.0336 35 LEU R O +48762 C CB . LEU LA 34 ? 1.9973 1.5787 1.7597 -0.1478 0.0373 0.0262 35 LEU R CB +48763 C CG . LEU LA 34 ? 1.8848 1.4821 1.6591 -0.1482 0.0346 0.0236 35 LEU R CG +48764 C CD1 . LEU LA 34 ? 1.9521 1.5486 1.7291 -0.1532 0.0336 0.0205 35 LEU R CD1 +48765 C CD2 . LEU LA 34 ? 1.7082 1.3179 1.4911 -0.1509 0.0363 0.0242 35 LEU R CD2 +48766 N N . MET MA 1 ? 1.9144 1.3505 1.3420 0.1601 0.0146 -0.0744 1 MET z N +48767 C CA . MET MA 1 ? 2.1476 1.6000 1.5858 0.1621 0.0169 -0.0725 1 MET z CA +48768 C C . MET MA 1 ? 1.8870 1.3502 1.3361 0.1552 0.0151 -0.0704 1 MET z C +48769 O O . MET MA 1 ? 1.5781 1.0505 1.0320 0.1531 0.0155 -0.0699 1 MET z O +48770 C CB . MET MA 1 ? 1.9636 1.4209 1.4060 0.1690 0.0195 -0.0711 1 MET z CB +48771 C CG . MET MA 1 ? 1.8732 1.3468 1.3259 0.1717 0.0222 -0.0694 1 MET z CG +48772 S SD . MET MA 1 ? 2.4107 1.8867 1.8593 0.1724 0.0241 -0.0711 1 MET z SD +48773 C CE . MET MA 1 ? 1.7227 1.2064 1.1739 0.1818 0.0288 -0.0708 1 MET z CE +48774 N N . THR MA 2 ? 1.8341 1.2959 1.2868 0.1519 0.0131 -0.0691 2 THR z N +48775 C CA . THR MA 2 ? 2.0117 1.4819 1.4737 0.1449 0.0110 -0.0673 2 THR z CA +48776 C C . THR MA 2 ? 2.1381 1.6062 1.5973 0.1390 0.0089 -0.0687 2 THR z C +48777 O O . THR MA 2 ? 2.1611 1.6399 1.6281 0.1351 0.0085 -0.0676 2 THR z O +48778 C CB . THR MA 2 ? 1.9580 1.4233 1.4214 0.1420 0.0090 -0.0662 2 THR z CB +48779 O OG1 . THR MA 2 ? 1.8914 1.3656 1.3632 0.1455 0.0105 -0.0639 2 THR z OG1 +48780 C CG2 . THR MA 2 ? 1.9014 1.3688 1.3693 0.1334 0.0060 -0.0657 2 THR z CG2 +48781 N N . ILE MA 3 ? 2.1727 1.6269 1.6203 0.1383 0.0077 -0.0714 3 ILE z N +48782 C CA . ILE MA 3 ? 2.1904 1.6417 1.6342 0.1330 0.0055 -0.0731 3 ILE z CA +48783 C C . ILE MA 3 ? 1.9514 1.4106 1.3963 0.1354 0.0074 -0.0733 3 ILE z C +48784 O O . ILE MA 3 ? 1.8917 1.3574 1.3407 0.1308 0.0061 -0.0731 3 ILE z O +48785 C CB . ILE MA 3 ? 2.2110 1.6452 1.6417 0.1323 0.0039 -0.0760 3 ILE z CB +48786 C CG1 . ILE MA 3 ? 2.2630 1.6935 1.6866 0.1314 0.0033 -0.0785 3 ILE z CG1 +48787 C CG2 . ILE MA 3 ? 2.0578 1.4831 1.4817 0.1391 0.0058 -0.0766 3 ILE z CG2 +48788 C CD1 . ILE MA 3 ? 2.3304 1.7548 1.7447 0.1387 0.0059 -0.0803 3 ILE z CD1 +48789 N N . LEU MA 4 ? 1.9978 1.4568 1.4391 0.1426 0.0106 -0.0738 4 LEU z N +48790 C CA . LEU MA 4 ? 2.0606 1.5263 1.5021 0.1452 0.0128 -0.0741 4 LEU z CA +48791 C C . LEU MA 4 ? 2.0386 1.5210 1.4931 0.1440 0.0140 -0.0714 4 LEU z C +48792 O O . LEU MA 4 ? 1.7919 1.2809 1.2486 0.1422 0.0143 -0.0713 4 LEU z O +48793 C CB . LEU MA 4 ? 1.6700 1.1313 1.1047 0.1533 0.0161 -0.0753 4 LEU z CB +48794 C CG . LEU MA 4 ? 1.9534 1.4145 1.3821 0.1564 0.0182 -0.0769 4 LEU z CG +48795 C CD1 . LEU MA 4 ? 1.9130 1.3874 1.3493 0.1612 0.0221 -0.0752 4 LEU z CD1 +48796 C CD2 . LEU MA 4 ? 1.8952 1.3560 1.3221 0.1503 0.0157 -0.0779 4 LEU z CD2 +48797 N N . PHE MA 5 ? 2.0087 1.4978 1.4717 0.1450 0.0146 -0.0691 5 PHE z N +48798 C CA . PHE MA 5 ? 1.8445 1.3491 1.3203 0.1432 0.0154 -0.0665 5 PHE z CA +48799 C C . PHE MA 5 ? 1.4210 0.9285 0.9012 0.1352 0.0122 -0.0659 5 PHE z C +48800 O O . PHE MA 5 ? 1.6068 1.1236 1.0923 0.1329 0.0124 -0.0650 5 PHE z O +48801 C CB . PHE MA 5 ? 1.6603 1.1703 1.1435 0.1459 0.0165 -0.0644 5 PHE z CB +48802 C CG . PHE MA 5 ? 1.7250 1.2503 1.2214 0.1436 0.0169 -0.0616 5 PHE z CG +48803 C CD1 . PHE MA 5 ? 1.5275 1.0641 1.0295 0.1469 0.0200 -0.0607 5 PHE z CD1 +48804 C CD2 . PHE MA 5 ? 1.7027 1.2310 1.2057 0.1381 0.0144 -0.0601 5 PHE z CD2 +48805 C CE1 . PHE MA 5 ? 1.4949 1.0453 1.0088 0.1447 0.0204 -0.0582 5 PHE z CE1 +48806 C CE2 . PHE MA 5 ? 1.6181 1.1601 1.1330 0.1361 0.0148 -0.0576 5 PHE z CE2 +48807 C CZ . PHE MA 5 ? 1.5414 1.0944 1.0617 0.1394 0.0177 -0.0567 5 PHE z CZ +48808 N N . GLN MA 6 ? 1.6554 1.1550 1.1333 0.1309 0.0092 -0.0663 6 GLN z N +48809 C CA . GLN MA 6 ? 1.7407 1.2427 1.2227 0.1233 0.0060 -0.0660 6 GLN z CA +48810 C C . GLN MA 6 ? 1.7831 1.2825 1.2596 0.1207 0.0048 -0.0679 6 GLN z C +48811 O O . GLN MA 6 ? 1.7555 1.2610 1.2372 0.1154 0.0029 -0.0672 6 GLN z O +48812 C CB . GLN MA 6 ? 1.7807 1.2732 1.2599 0.1195 0.0033 -0.0665 6 GLN z CB +48813 C CG . GLN MA 6 ? 1.8139 1.3106 1.3004 0.1204 0.0038 -0.0642 6 GLN z CG +48814 C CD . GLN MA 6 ? 1.8185 1.3042 1.3007 0.1175 0.0017 -0.0648 6 GLN z CD +48815 O OE1 . GLN MA 6 ? 2.0249 1.4993 1.4984 0.1149 -0.0002 -0.0670 6 GLN z OE1 +48816 N NE2 . GLN MA 6 ? 1.9546 1.4435 1.4427 0.1178 0.0019 -0.0628 6 GLN z NE2 +48817 N N . LEU MA 7 ? 1.7974 1.2879 1.2634 0.1245 0.0058 -0.0702 7 LEU z N +48818 C CA . LEU MA 7 ? 1.6442 1.1321 1.1043 0.1225 0.0047 -0.0721 7 LEU z CA +48819 C C . LEU MA 7 ? 1.5843 1.0842 1.0499 0.1242 0.0070 -0.0707 7 LEU z C +48820 O O . LEU MA 7 ? 1.5658 1.0701 1.0335 0.1200 0.0053 -0.0707 7 LEU z O +48821 C CB . LEU MA 7 ? 1.8589 1.3331 1.3056 0.1263 0.0052 -0.0750 7 LEU z CB +48822 C CG . LEU MA 7 ? 1.9861 1.4485 1.4244 0.1214 0.0015 -0.0776 7 LEU z CG +48823 C CD1 . LEU MA 7 ? 1.9612 1.4284 1.4010 0.1167 -0.0005 -0.0780 7 LEU z CD1 +48824 C CD2 . LEU MA 7 ? 1.6443 1.1025 1.0852 0.1170 -0.0009 -0.0771 7 LEU z CD2 +48825 N N . ALA MA 8 ? 1.4310 0.9363 0.8988 0.1303 0.0107 -0.0697 8 ALA z N +48826 C CA . ALA MA 8 ? 1.6748 1.1917 1.1481 0.1319 0.0132 -0.0683 8 ALA z CA +48827 C C . ALA MA 8 ? 1.6652 1.1943 1.1505 0.1271 0.0121 -0.0658 8 ALA z C +48828 O O . ALA MA 8 ? 1.4580 0.9939 0.9461 0.1250 0.0121 -0.0653 8 ALA z O +48829 C CB . ALA MA 8 ? 1.3512 0.8721 0.8257 0.1392 0.0176 -0.0677 8 ALA z CB +48830 N N . LEU MA 9 ? 1.5613 1.0930 1.0535 0.1253 0.0111 -0.0643 9 LEU z N +48831 C CA . LEU MA 9 ? 1.3814 0.9244 0.8851 0.1207 0.0099 -0.0619 9 LEU z CA +48832 C C . LEU MA 9 ? 1.5470 1.0877 1.0498 0.1138 0.0061 -0.0627 9 LEU z C +48833 O O . LEU MA 9 ? 1.4237 0.9733 0.9326 0.1108 0.0056 -0.0615 9 LEU z O +48834 C CB . LEU MA 9 ? 1.2721 0.8176 0.7825 0.1208 0.0098 -0.0602 9 LEU z CB +48835 C CG . LEU MA 9 ? 1.6496 1.2082 1.1729 0.1177 0.0096 -0.0573 9 LEU z CG +48836 C CD1 . LEU MA 9 ? 1.3656 0.9361 0.8949 0.1200 0.0125 -0.0559 9 LEU z CD1 +48837 C CD2 . LEU MA 9 ? 1.5035 1.0634 1.0320 0.1190 0.0099 -0.0559 9 LEU z CD2 +48838 N N . ALA MA 10 ? 1.4927 1.0216 0.9879 0.1114 0.0035 -0.0648 10 ALA z N +48839 C CA . ALA MA 10 ? 1.5774 1.1036 1.0709 0.1052 -0.0002 -0.0659 10 ALA z CA +48840 C C . ALA MA 10 ? 1.6326 1.1599 1.1217 0.1057 0.0001 -0.0670 10 ALA z C +48841 O O . ALA MA 10 ? 1.4643 0.9955 0.9561 0.1010 -0.0022 -0.0670 10 ALA z O +48842 C CB . ALA MA 10 ? 1.4340 0.9465 0.9192 0.1030 -0.0028 -0.0682 10 ALA z CB +48843 N N . ALA MA 11 ? 1.4710 0.9949 0.9532 0.1113 0.0029 -0.0681 11 ALA z N +48844 C CA . ALA MA 11 ? 1.5305 1.0556 1.0083 0.1121 0.0035 -0.0689 11 ALA z CA +48845 C C . ALA MA 11 ? 1.5160 1.0551 1.0036 0.1117 0.0051 -0.0664 11 ALA z C +48846 O O . ALA MA 11 ? 1.3917 0.9344 0.8802 0.1084 0.0036 -0.0663 11 ALA z O +48847 C CB . ALA MA 11 ? 1.5021 1.0203 0.9704 0.1186 0.0065 -0.0706 11 ALA z CB +48848 N N . LEU MA 12 ? 1.3766 0.9237 0.8716 0.1150 0.0082 -0.0642 12 LEU z N +48849 C CA . LEU MA 12 ? 1.6246 1.1852 1.1295 0.1146 0.0099 -0.0617 12 LEU z CA +48850 C C . LEU MA 12 ? 1.4087 0.9750 0.9212 0.1080 0.0067 -0.0604 12 LEU z C +48851 O O . LEU MA 12 ? 1.3095 0.8834 0.8260 0.1061 0.0067 -0.0593 12 LEU z O +48852 C CB . LEU MA 12 ? 1.4417 1.0093 0.9538 0.1187 0.0132 -0.0597 12 LEU z CB +48853 C CG . LEU MA 12 ? 1.3442 0.9260 0.8672 0.1183 0.0151 -0.0570 12 LEU z CG +48854 C CD1 . LEU MA 12 ? 1.3543 0.9392 0.8743 0.1197 0.0171 -0.0572 12 LEU z CD1 +48855 C CD2 . LEU MA 12 ? 1.3327 0.9206 0.8622 0.1226 0.0182 -0.0554 12 LEU z CD2 +48856 N N . VAL MA 13 ? 1.2682 0.8307 0.7824 0.1045 0.0039 -0.0606 13 VAL z N +48857 C CA . VAL MA 13 ? 1.3931 0.9608 0.9145 0.0983 0.0008 -0.0596 13 VAL z CA +48858 C C . VAL MA 13 ? 1.3154 0.8798 0.8317 0.0946 -0.0020 -0.0612 13 VAL z C +48859 O O . VAL MA 13 ? 1.4902 1.0625 1.0122 0.0915 -0.0031 -0.0601 13 VAL z O +48860 C CB . VAL MA 13 ? 1.4439 1.0076 0.9677 0.0955 -0.0013 -0.0595 13 VAL z CB +48861 C CG1 . VAL MA 13 ? 1.2038 0.7710 0.7333 0.0887 -0.0049 -0.0590 13 VAL z CG1 +48862 C CG2 . VAL MA 13 ? 1.3219 0.8913 0.8527 0.0986 0.0012 -0.0573 13 VAL z CG2 +48863 N N . ILE MA 14 ? 1.5580 1.1108 1.0634 0.0952 -0.0034 -0.0640 14 ILE z N +48864 C CA . ILE MA 14 ? 1.5460 1.0950 1.0460 0.0918 -0.0063 -0.0659 14 ILE z CA +48865 C C . ILE MA 14 ? 1.4176 0.9720 0.9163 0.0941 -0.0044 -0.0654 14 ILE z C +48866 O O . ILE MA 14 ? 1.3483 0.9070 0.8491 0.0907 -0.0064 -0.0651 14 ILE z O +48867 C CB . ILE MA 14 ? 1.6322 1.1672 1.1206 0.0920 -0.0081 -0.0691 14 ILE z CB +48868 C CG1 . ILE MA 14 ? 1.6639 1.1934 1.1536 0.0890 -0.0101 -0.0695 14 ILE z CG1 +48869 C CG2 . ILE MA 14 ? 1.4865 1.0178 0.9691 0.0887 -0.0112 -0.0711 14 ILE z CG2 +48870 C CD1 . ILE MA 14 ? 1.8115 1.3267 1.2898 0.0898 -0.0113 -0.0725 14 ILE z CD1 +48871 N N . LEU MA 15 ? 1.3626 0.9163 0.8574 0.1000 -0.0006 -0.0653 15 LEU z N +48872 C CA . LEU MA 15 ? 1.3991 0.9581 0.8928 0.1023 0.0017 -0.0647 15 LEU z CA +48873 C C . LEU MA 15 ? 1.4810 1.0531 0.9861 0.0999 0.0021 -0.0619 15 LEU z C +48874 O O . LEU MA 15 ? 1.4287 1.0046 0.9336 0.0985 0.0016 -0.0615 15 LEU z O +48875 C CB . LEU MA 15 ? 1.3569 0.9146 0.8465 0.1090 0.0063 -0.0648 15 LEU z CB +48876 C CG . LEU MA 15 ? 1.4279 0.9911 0.9164 0.1122 0.0096 -0.0640 15 LEU z CG +48877 C CD1 . LEU MA 15 ? 1.3437 0.9013 0.8233 0.1108 0.0077 -0.0659 15 LEU z CD1 +48878 C CD2 . LEU MA 15 ? 1.4349 0.9968 0.9201 0.1187 0.0141 -0.0642 15 LEU z CD2 +48879 N N . SER MA 16 ? 1.5724 1.1510 1.0870 0.0994 0.0030 -0.0598 16 SER z N +48880 C CA . SER MA 16 ? 1.4966 1.0875 1.0223 0.0972 0.0034 -0.0570 16 SER z CA +48881 C C . SER MA 16 ? 1.2956 0.8882 0.8239 0.0912 -0.0008 -0.0571 16 SER z C +48882 O O . SER MA 16 ? 1.1883 0.7879 0.7202 0.0897 -0.0008 -0.0559 16 SER z O +48883 C CB . SER MA 16 ? 1.4138 1.0103 0.9486 0.0978 0.0047 -0.0551 16 SER z CB +48884 O OG . SER MA 16 ? 1.3398 0.9380 0.8743 0.1036 0.0089 -0.0546 16 SER z OG +48885 N N . PHE MA 17 ? 1.3229 0.9089 0.8494 0.0876 -0.0043 -0.0586 17 PHE z N +48886 C CA . PHE MA 17 ? 1.2336 0.8205 0.7622 0.0819 -0.0084 -0.0591 17 PHE z CA +48887 C C . PHE MA 17 ? 1.5108 1.0947 1.0320 0.0816 -0.0097 -0.0606 17 PHE z C +48888 O O . PHE MA 17 ? 1.3994 0.9885 0.9242 0.0782 -0.0119 -0.0601 17 PHE z O +48889 C CB . PHE MA 17 ? 1.2732 0.8525 0.8001 0.0785 -0.0116 -0.0607 17 PHE z CB +48890 C CG . PHE MA 17 ? 1.4883 1.0702 1.0199 0.0723 -0.0157 -0.0608 17 PHE z CG +48891 C CD1 . PHE MA 17 ? 1.5354 1.1252 1.0777 0.0693 -0.0162 -0.0587 17 PHE z CD1 +48892 C CD2 . PHE MA 17 ? 1.5664 1.1430 1.0918 0.0696 -0.0190 -0.0631 17 PHE z CD2 +48893 C CE1 . PHE MA 17 ? 1.5242 1.1167 1.0710 0.0637 -0.0198 -0.0589 17 PHE z CE1 +48894 C CE2 . PHE MA 17 ? 1.6918 1.2713 1.2219 0.0640 -0.0228 -0.0633 17 PHE z CE2 +48895 C CZ . PHE MA 17 ? 1.7141 1.3017 1.2550 0.0611 -0.0231 -0.0612 17 PHE z CZ +48896 N N . VAL MA 18 ? 1.4319 1.0075 0.9426 0.0854 -0.0085 -0.0626 18 VAL z N +48897 C CA . VAL MA 18 ? 1.3375 0.9099 0.8404 0.0857 -0.0094 -0.0640 18 VAL z CA +48898 C C . VAL MA 18 ? 1.2809 0.8627 0.7877 0.0875 -0.0066 -0.0618 18 VAL z C +48899 O O . VAL MA 18 ? 1.2124 0.7965 0.7185 0.0854 -0.0085 -0.0618 18 VAL z O +48900 C CB . VAL MA 18 ? 1.5529 1.1139 1.0434 0.0896 -0.0084 -0.0667 18 VAL z CB +48901 C CG1 . VAL MA 18 ? 1.2391 0.7980 0.7215 0.0914 -0.0080 -0.0677 18 VAL z CG1 +48902 C CG2 . VAL MA 18 ? 1.2068 0.7575 0.6922 0.0867 -0.0120 -0.0693 18 VAL z CG2 +48903 N N . MET MA 19 ? 1.2569 0.8439 0.7675 0.0915 -0.0022 -0.0600 19 MET z N +48904 C CA . MET MA 19 ? 1.4067 1.0026 0.9213 0.0932 0.0008 -0.0578 19 MET z CA +48905 C C . MET MA 19 ? 1.4983 1.1042 1.0236 0.0890 -0.0008 -0.0555 19 MET z C +48906 O O . MET MA 19 ? 1.3140 0.9257 0.8409 0.0886 -0.0001 -0.0542 19 MET z O +48907 C CB . MET MA 19 ? 1.4563 1.0559 0.9734 0.0983 0.0058 -0.0565 19 MET z CB +48908 C CG . MET MA 19 ? 1.5018 1.0923 1.0087 0.1031 0.0079 -0.0585 19 MET z CG +48909 S SD . MET MA 19 ? 1.6360 1.2253 1.1343 0.1063 0.0105 -0.0590 19 MET z SD +48910 C CE . MET MA 19 ? 1.6490 1.2502 1.1560 0.1099 0.0163 -0.0560 19 MET z CE +48911 N N . VAL MA 20 ? 1.4085 1.0165 0.9409 0.0859 -0.0028 -0.0549 20 VAL z N +48912 C CA . VAL MA 20 ? 1.4406 1.0581 0.9835 0.0821 -0.0041 -0.0528 20 VAL z CA +48913 C C . VAL MA 20 ? 1.3276 0.9445 0.8684 0.0781 -0.0080 -0.0536 20 VAL z C +48914 O O . VAL MA 20 ? 1.3209 0.9454 0.8670 0.0765 -0.0081 -0.0519 20 VAL z O +48915 C CB . VAL MA 20 ? 1.3494 0.9685 0.8997 0.0798 -0.0053 -0.0521 20 VAL z CB +48916 C CG1 . VAL MA 20 ? 1.3786 1.0037 0.9367 0.0744 -0.0085 -0.0511 20 VAL z CG1 +48917 C CG2 . VAL MA 20 ? 1.1615 0.7865 0.7179 0.0833 -0.0012 -0.0501 20 VAL z CG2 +48918 N N . ILE MA 21 ? 1.2717 0.8794 0.8047 0.0766 -0.0112 -0.0564 21 ILE z N +48919 C CA . ILE MA 21 ? 1.4120 1.0189 0.9423 0.0733 -0.0150 -0.0574 21 ILE z CA +48920 C C . ILE MA 21 ? 1.4612 1.0658 0.9832 0.0764 -0.0135 -0.0579 21 ILE z C +48921 O O . ILE MA 21 ? 1.2766 0.8853 0.7994 0.0750 -0.0147 -0.0572 21 ILE z O +48922 C CB . ILE MA 21 ? 1.4644 1.0628 0.9901 0.0700 -0.0193 -0.0602 21 ILE z CB +48923 C CG1 . ILE MA 21 ? 1.3078 0.9085 0.8419 0.0666 -0.0207 -0.0596 21 ILE z CG1 +48924 C CG2 . ILE MA 21 ? 1.3374 0.9348 0.8597 0.0670 -0.0233 -0.0616 21 ILE z CG2 +48925 C CD1 . ILE MA 21 ? 1.4002 0.9976 0.9342 0.0613 -0.0257 -0.0615 21 ILE z CD1 +48926 N N . GLY MA 22 ? 1.3538 0.9523 0.8680 0.0809 -0.0106 -0.0590 22 GLY z N +48927 C CA . GLY MA 22 ? 1.3529 0.9469 0.8572 0.0838 -0.0095 -0.0601 22 GLY z CA +48928 C C . GLY MA 22 ? 1.3568 0.9581 0.8631 0.0862 -0.0058 -0.0578 22 GLY z C +48929 O O . GLY MA 22 ? 1.2786 0.8792 0.7799 0.0862 -0.0066 -0.0581 22 GLY z O +48930 N N . VAL MA 23 ? 1.3336 0.9417 0.8470 0.0884 -0.0018 -0.0555 23 VAL z N +48931 C CA . VAL MA 23 ? 1.3368 0.9519 0.8522 0.0909 0.0022 -0.0534 23 VAL z CA +48932 C C . VAL MA 23 ? 1.4400 1.0619 0.9607 0.0874 0.0002 -0.0517 23 VAL z C +48933 O O . VAL MA 23 ? 1.4604 1.0826 0.9764 0.0885 0.0013 -0.0513 23 VAL z O +48934 C CB . VAL MA 23 ? 1.2746 0.8959 0.7972 0.0938 0.0067 -0.0515 23 VAL z CB +48935 C CG1 . VAL MA 23 ? 1.4252 1.0536 0.9500 0.0960 0.0109 -0.0493 23 VAL z CG1 +48936 C CG2 . VAL MA 23 ? 1.4649 1.0787 0.9813 0.0976 0.0086 -0.0532 23 VAL z CG2 +48937 N N . PRO MA 24 ? 1.4769 1.1043 1.0068 0.0833 -0.0025 -0.0506 24 PRO z N +48938 C CA . PRO MA 24 ? 1.5174 1.1512 1.0518 0.0803 -0.0042 -0.0491 24 PRO z CA +48939 C C . PRO MA 24 ? 1.3791 1.0071 0.9053 0.0787 -0.0080 -0.0509 24 PRO z C +48940 O O . PRO MA 24 ? 1.2395 0.8707 0.7650 0.0784 -0.0081 -0.0499 24 PRO z O +48941 C CB . PRO MA 24 ? 1.2445 0.8841 0.7899 0.0763 -0.0066 -0.0480 24 PRO z CB +48942 C CG . PRO MA 24 ? 1.3974 1.0309 0.9413 0.0764 -0.0076 -0.0498 24 PRO z CG +48943 C CD . PRO MA 24 ? 1.3155 0.9443 0.8526 0.0814 -0.0036 -0.0505 24 PRO z CD +48944 N N . VAL MA 25 ? 1.2489 0.8685 0.7689 0.0777 -0.0113 -0.0538 25 VAL z N +48945 C CA . VAL MA 25 ? 1.5578 1.1718 1.0698 0.0762 -0.0152 -0.0558 25 VAL z CA +48946 C C . VAL MA 25 ? 1.4034 1.0131 0.9051 0.0802 -0.0126 -0.0562 25 VAL z C +48947 O O . VAL MA 25 ? 1.4346 1.0442 0.9322 0.0798 -0.0142 -0.0562 25 VAL z O +48948 C CB . VAL MA 25 ? 1.4611 1.0670 0.9689 0.0741 -0.0193 -0.0588 25 VAL z CB +48949 C CG1 . VAL MA 25 ? 1.3571 0.9556 0.8544 0.0737 -0.0227 -0.0613 25 VAL z CG1 +48950 C CG2 . VAL MA 25 ? 1.3560 0.9667 0.8736 0.0693 -0.0226 -0.0583 25 VAL z CG2 +48951 N N . ALA MA 26 ? 1.3885 0.9949 0.8861 0.0844 -0.0085 -0.0565 26 ALA z N +48952 C CA . ALA MA 26 ? 1.4810 1.0840 0.9694 0.0885 -0.0053 -0.0567 26 ALA z CA +48953 C C . ALA MA 26 ? 1.3841 0.9953 0.8768 0.0891 -0.0024 -0.0538 26 ALA z C +48954 O O . ALA MA 26 ? 1.5730 1.1825 1.0592 0.0899 -0.0024 -0.0538 26 ALA z O +48955 C CB . ALA MA 26 ? 1.3476 0.9464 0.8321 0.0928 -0.0012 -0.0574 26 ALA z CB +48956 N N . TYR MA 27 ? 1.4888 1.1090 0.9925 0.0887 0.0002 -0.0512 27 TYR z N +48957 C CA . TYR MA 27 ? 1.5311 1.1593 1.0393 0.0895 0.0036 -0.0484 27 TYR z CA +48958 C C . TYR MA 27 ? 1.4098 1.0404 0.9184 0.0864 0.0004 -0.0477 27 TYR z C +48959 O O . TYR MA 27 ? 1.3449 0.9788 0.8525 0.0875 0.0028 -0.0459 27 TYR z O +48960 C CB . TYR MA 27 ? 1.3327 0.9699 0.8531 0.0891 0.0062 -0.0461 27 TYR z CB +48961 C CG . TYR MA 27 ? 1.5292 1.1671 1.0495 0.0934 0.0115 -0.0457 27 TYR z CG +48962 C CD1 . TYR MA 27 ? 1.4363 1.0678 0.9463 0.0974 0.0143 -0.0470 27 TYR z CD1 +48963 C CD2 . TYR MA 27 ? 1.3641 1.0090 0.8946 0.0935 0.0138 -0.0441 27 TYR z CD2 +48964 C CE1 . TYR MA 27 ? 1.4152 1.0476 0.9252 0.1014 0.0192 -0.0467 27 TYR z CE1 +48965 C CE2 . TYR MA 27 ? 1.4649 1.1107 0.9956 0.0976 0.0185 -0.0438 27 TYR z CE2 +48966 C CZ . TYR MA 27 ? 1.5250 1.1648 1.0457 0.1016 0.0213 -0.0451 27 TYR z CZ +48967 O OH . TYR MA 27 ? 1.6381 1.2792 1.1593 0.1057 0.0260 -0.0449 27 TYR z OH +48968 N N . ALA MA 28 ? 1.3643 0.9932 0.8742 0.0827 -0.0050 -0.0489 28 ALA z N +48969 C CA . ALA MA 28 ? 1.4604 1.0928 0.9725 0.0796 -0.0085 -0.0482 28 ALA z CA +48970 C C . ALA MA 28 ? 1.3445 0.9689 0.8466 0.0788 -0.0130 -0.0508 28 ALA z C +48971 O O . ALA MA 28 ? 1.3247 0.9511 0.8282 0.0761 -0.0167 -0.0506 28 ALA z O +48972 C CB . ALA MA 28 ? 1.2277 0.8668 0.7516 0.0756 -0.0111 -0.0471 28 ALA z CB +48973 N N . SER MA 29 ? 1.4814 1.0967 0.9735 0.0811 -0.0129 -0.0533 29 SER z N +48974 C CA . SER MA 29 ? 1.6310 1.2383 1.1126 0.0808 -0.0169 -0.0559 29 SER z CA +48975 C C . SER MA 29 ? 1.8078 1.4116 1.2794 0.0845 -0.0139 -0.0557 29 SER z C +48976 O O . SER MA 29 ? 1.5490 1.1517 1.0178 0.0882 -0.0089 -0.0551 29 SER z O +48977 C CB . SER MA 29 ? 1.4592 1.0581 0.9355 0.0807 -0.0191 -0.0591 29 SER z CB +48978 O OG . SER MA 29 ? 1.6270 1.2273 1.1097 0.0763 -0.0237 -0.0601 29 SER z OG +48979 N N . PRO MA 30 ? 2.2480 1.8500 1.7140 0.0837 -0.0170 -0.0561 30 PRO z N +48980 C CA . PRO MA 30 ? 2.2658 1.8640 1.7216 0.0871 -0.0143 -0.0558 30 PRO z CA +48981 C C . PRO MA 30 ? 2.3214 1.9093 1.7649 0.0903 -0.0135 -0.0585 30 PRO z C +48982 O O . PRO MA 30 ? 2.2415 1.8281 1.6824 0.0938 -0.0084 -0.0581 30 PRO z O +48983 C CB . PRO MA 30 ? 2.2204 1.8188 1.6738 0.0850 -0.0189 -0.0559 30 PRO z CB +48984 C CG . PRO MA 30 ? 2.1743 1.7793 1.6393 0.0805 -0.0227 -0.0553 30 PRO z CG +48985 C CD . PRO MA 30 ? 1.6620 1.2659 1.1314 0.0796 -0.0228 -0.0567 30 PRO z CD +48986 N N . GLN MA 31 ? 2.0760 1.6566 1.5118 0.0891 -0.0186 -0.0614 31 GLN z N +48987 C CA . GLN MA 31 ? 2.0929 1.6632 1.5166 0.0919 -0.0183 -0.0643 31 GLN z CA +48988 C C . GLN MA 31 ? 2.1156 1.6837 1.5421 0.0922 -0.0170 -0.0655 31 GLN z C +48989 O O . GLN MA 31 ? 2.1206 1.6937 1.5575 0.0895 -0.0182 -0.0649 31 GLN z O +48990 C CB . GLN MA 31 ? 2.3317 1.8950 1.7470 0.0902 -0.0244 -0.0672 31 GLN z CB +48991 C CG . GLN MA 31 ? 2.4565 2.0184 1.8639 0.0914 -0.0251 -0.0666 31 GLN z CG +48992 C CD . GLN MA 31 ? 2.4372 1.9918 1.8318 0.0961 -0.0212 -0.0673 31 GLN z CD +48993 O OE1 . GLN MA 31 ? 2.4779 2.0282 1.8692 0.0986 -0.0181 -0.0684 31 GLN z OE1 +48994 N NE2 . GLN MA 31 ? 2.2271 1.7800 1.6142 0.0975 -0.0213 -0.0667 31 GLN z NE2 +48995 N N . ASP MA 32 ? 2.8075 2.3676 2.2242 0.0958 -0.0147 -0.0673 32 ASP z N +48996 C CA . ASP MA 32 ? 2.8411 2.3986 2.2590 0.0975 -0.0121 -0.0681 32 ASP z CA +48997 C C . ASP MA 32 ? 2.7579 2.3248 2.1869 0.0984 -0.0072 -0.0650 32 ASP z C +48998 O O . ASP MA 32 ? 2.8450 2.4154 2.2828 0.0968 -0.0074 -0.0645 32 ASP z O +48999 C CB . ASP MA 32 ? 3.0978 2.6517 2.5180 0.0940 -0.0171 -0.0705 32 ASP z CB +49000 C CG . ASP MA 32 ? 3.2219 2.7650 2.6323 0.0964 -0.0169 -0.0736 32 ASP z CG +49001 O OD1 . ASP MA 32 ? 2.9251 2.4624 2.3250 0.1003 -0.0142 -0.0744 32 ASP z OD1 +49002 O OD2 . ASP MA 32 ? 3.1410 2.6812 2.5538 0.0942 -0.0194 -0.0752 32 ASP z OD2 +49003 N N . TRP MA 33 ? 2.1384 1.7094 1.5668 0.1010 -0.0027 -0.0627 33 TRP z N +49004 C CA . TRP MA 33 ? 2.0287 1.6077 1.4658 0.1027 0.0027 -0.0600 33 TRP z CA +49005 C C . TRP MA 33 ? 1.9955 1.5702 1.4263 0.1077 0.0079 -0.0607 33 TRP z C +49006 O O . TRP MA 33 ? 1.8553 1.4343 1.2929 0.1092 0.0115 -0.0596 33 TRP z O +49007 C CB . TRP MA 33 ? 1.6612 1.2483 1.1030 0.1022 0.0048 -0.0569 33 TRP z CB +49008 C CG . TRP MA 33 ? 1.8746 1.4683 1.3219 0.1050 0.0113 -0.0545 33 TRP z CG +49009 C CD1 . TRP MA 33 ? 2.0364 1.6308 1.4790 0.1082 0.0162 -0.0532 33 TRP z CD1 +49010 C CD2 . TRP MA 33 ? 1.8977 1.4981 1.3561 0.1049 0.0136 -0.0532 33 TRP z CD2 +49011 N NE1 . TRP MA 33 ? 1.8904 1.4919 1.3410 0.1100 0.0214 -0.0512 33 TRP z NE1 +49012 C CE2 . TRP MA 33 ? 1.8435 1.4489 1.3038 0.1081 0.0198 -0.0512 33 TRP z CE2 +49013 C CE3 . TRP MA 33 ? 1.8158 1.4185 1.2827 0.1024 0.0111 -0.0535 33 TRP z CE3 +49014 C CZ2 . TRP MA 33 ? 1.8655 1.4782 1.3359 0.1089 0.0233 -0.0496 33 TRP z CZ2 +49015 C CZ3 . TRP MA 33 ? 1.6943 1.3039 1.1708 0.1033 0.0146 -0.0518 33 TRP z CZ3 +49016 C CH2 . TRP MA 33 ? 1.7050 1.3196 1.1833 0.1066 0.0206 -0.0499 33 TRP z CH2 +49017 N N . ASP MA 34 ? 2.0553 1.6214 1.4731 0.1104 0.0083 -0.0626 34 ASP z N +49018 C CA . ASP MA 34 ? 1.8241 1.3855 1.2352 0.1153 0.0131 -0.0635 34 ASP z CA +49019 C C . ASP MA 34 ? 2.0594 1.6144 1.4688 0.1158 0.0115 -0.0660 34 ASP z C +49020 O O . ASP MA 34 ? 1.8348 1.3904 1.2460 0.1189 0.0156 -0.0659 34 ASP z O +49021 C CB . ASP MA 34 ? 2.1217 1.6757 1.5190 0.1179 0.0139 -0.0648 34 ASP z CB +49022 C CG . ASP MA 34 ? 2.2503 1.8092 1.6480 0.1168 0.0143 -0.0625 34 ASP z CG +49023 O OD1 . ASP MA 34 ? 2.3725 1.9405 1.7812 0.1140 0.0139 -0.0600 34 ASP z OD1 +49024 O OD2 . ASP MA 34 ? 2.4121 1.9652 1.7986 0.1188 0.0149 -0.0633 34 ASP z OD2 +49025 N N . ARG MA 35 ? 1.9067 1.4555 1.3126 0.1128 0.0057 -0.0684 35 ARG z N +49026 C CA . ARG MA 35 ? 1.9690 1.5128 1.3754 0.1124 0.0039 -0.0705 35 ARG z CA +49027 C C . ARG MA 35 ? 2.1831 1.7355 1.6033 0.1105 0.0047 -0.0684 35 ARG z C +49028 O O . ARG MA 35 ? 2.0686 1.6192 1.4906 0.1122 0.0064 -0.0690 35 ARG z O +49029 C CB . ARG MA 35 ? 1.9463 1.4828 1.3474 0.1088 -0.0027 -0.0733 35 ARG z CB +49030 C CG . ARG MA 35 ? 2.1356 1.6718 1.5436 0.1054 -0.0060 -0.0742 35 ARG z CG +49031 C CD . ARG MA 35 ? 2.3459 1.8716 1.7452 0.1035 -0.0111 -0.0778 35 ARG z CD +49032 N NE . ARG MA 35 ? 2.7667 2.2823 2.1548 0.1076 -0.0091 -0.0802 35 ARG z NE +49033 C CZ . ARG MA 35 ? 2.6211 2.1312 2.0083 0.1083 -0.0089 -0.0817 35 ARG z CZ +49034 N NH1 . ARG MA 35 ? 2.4870 2.0003 1.8835 0.1052 -0.0107 -0.0812 35 ARG z NH1 +49035 N NH2 . ARG MA 35 ? 2.3063 1.8071 1.6827 0.1124 -0.0069 -0.0838 35 ARG z NH2 +49036 N N . SER MA 36 ? 2.0718 1.6334 1.5018 0.1073 0.0036 -0.0660 36 SER z N +49037 C CA . SER MA 36 ? 1.8729 1.4434 1.3162 0.1056 0.0046 -0.0638 36 SER z CA +49038 C C . SER MA 36 ? 1.8169 1.3918 1.2636 0.1099 0.0109 -0.0622 36 SER z C +49039 O O . SER MA 36 ? 1.6896 1.2646 1.1404 0.1109 0.0121 -0.0623 36 SER z O +49040 C CB . SER MA 36 ? 1.7526 1.3321 1.2048 0.1018 0.0027 -0.0615 36 SER z CB +49041 O OG . SER MA 36 ? 1.8819 1.4582 1.3323 0.0977 -0.0032 -0.0630 36 SER z OG +49042 N N . LYS MA 37 ? 1.6157 1.1939 1.0602 0.1124 0.0149 -0.0607 37 LYS z N +49043 C CA . LYS MA 37 ? 1.5533 1.1379 1.0031 0.1158 0.0209 -0.0587 37 LYS z CA +49044 C C . LYS MA 37 ? 1.7954 1.3740 1.2404 0.1200 0.0235 -0.0605 37 LYS z C +49045 O O . LYS MA 37 ? 1.6493 1.2331 1.1016 0.1218 0.0267 -0.0594 37 LYS z O +49046 C CB . LYS MA 37 ? 1.8248 1.4124 1.2712 0.1178 0.0248 -0.0572 37 LYS z CB +49047 C CG . LYS MA 37 ? 1.7949 1.3901 1.2474 0.1211 0.0312 -0.0551 37 LYS z CG +49048 C CD . LYS MA 37 ? 1.7481 1.3460 1.1971 0.1227 0.0351 -0.0535 37 LYS z CD +49049 C CE . LYS MA 37 ? 1.8333 1.4381 1.2876 0.1262 0.0417 -0.0519 37 LYS z CE +49050 N NZ . LYS MA 37 ? 2.1358 1.7433 1.5868 0.1276 0.0459 -0.0503 37 LYS z NZ +49051 N N . GLN MA 38 ? 1.8084 1.3761 1.2411 0.1216 0.0220 -0.0634 38 GLN z N +49052 C CA . GLN MA 38 ? 1.8255 1.3869 1.2530 0.1258 0.0244 -0.0652 38 GLN z CA +49053 C C . GLN MA 38 ? 1.5767 1.1360 1.0089 0.1240 0.0214 -0.0662 38 GLN z C +49054 O O . GLN MA 38 ? 1.4760 1.0353 0.9104 0.1270 0.0241 -0.0663 38 GLN z O +49055 C CB . GLN MA 38 ? 2.0573 1.6073 1.4697 0.1282 0.0239 -0.0680 38 GLN z CB +49056 C CG . GLN MA 38 ? 2.3398 1.8832 1.7459 0.1332 0.0271 -0.0698 38 GLN z CG +49057 C CD . GLN MA 38 ? 2.4146 1.9463 1.8055 0.1355 0.0265 -0.0727 38 GLN z CD +49058 O OE1 . GLN MA 38 ? 2.3611 1.8916 1.7457 0.1355 0.0266 -0.0726 38 GLN z OE1 +49059 N NE2 . GLN MA 38 ? 2.3209 1.8435 1.7054 0.1375 0.0257 -0.0753 38 GLN z NE2 +49060 N N . LEU MA 39 ? 1.5255 1.0828 0.9591 0.1192 0.0158 -0.0670 39 LEU z N +49061 C CA . LEU MA 39 ? 1.6001 1.1558 1.0387 0.1169 0.0130 -0.0677 39 LEU z CA +49062 C C . LEU MA 39 ? 1.7447 1.3110 1.1967 0.1166 0.0153 -0.0649 39 LEU z C +49063 O O . LEU MA 39 ? 1.5157 1.0809 0.9706 0.1181 0.0162 -0.0652 39 LEU z O +49064 C CB . LEU MA 39 ? 1.5437 1.0968 0.9824 0.1114 0.0068 -0.0688 39 LEU z CB +49065 C CG . LEU MA 39 ? 1.7427 1.2840 1.1688 0.1110 0.0033 -0.0721 39 LEU z CG +49066 C CD1 . LEU MA 39 ? 1.8231 1.3644 1.2509 0.1054 -0.0026 -0.0728 39 LEU z CD1 +49067 C CD2 . LEU MA 39 ? 1.6308 1.1631 1.0517 0.1129 0.0032 -0.0744 39 LEU z CD2 +49068 N N . ILE MA 40 ? 1.5695 1.1457 1.0295 0.1148 0.0162 -0.0623 40 ILE z N +49069 C CA . ILE MA 40 ? 1.5290 1.1157 1.0019 0.1144 0.0183 -0.0596 40 ILE z CA +49070 C C . ILE MA 40 ? 1.5431 1.1318 1.0165 0.1197 0.0239 -0.0591 40 ILE z C +49071 O O . ILE MA 40 ? 1.5027 1.0948 0.9832 0.1205 0.0251 -0.0583 40 ILE z O +49072 C CB . ILE MA 40 ? 1.4498 1.0461 0.9300 0.1115 0.0183 -0.0570 40 ILE z CB +49073 C CG1 . ILE MA 40 ? 1.3351 0.9303 0.8162 0.1061 0.0125 -0.0575 40 ILE z CG1 +49074 C CG2 . ILE MA 40 ? 1.4807 1.0881 0.9737 0.1116 0.0212 -0.0542 40 ILE z CG2 +49075 C CD1 . ILE MA 40 ? 1.3989 1.0020 0.8852 0.1036 0.0122 -0.0553 40 ILE z CD1 +49076 N N . PHE MA 41 ? 1.4181 1.0048 0.8842 0.1234 0.0275 -0.0594 41 PHE z N +49077 C CA . PHE MA 41 ? 1.6816 1.2692 1.1469 0.1288 0.0328 -0.0594 41 PHE z CA +49078 C C . PHE MA 41 ? 1.5945 1.1747 1.0568 0.1309 0.0320 -0.0614 41 PHE z C +49079 O O . PHE MA 41 ? 1.6628 1.2468 1.1305 0.1337 0.0349 -0.0607 41 PHE z O +49080 C CB . PHE MA 41 ? 1.7061 1.2898 1.1613 0.1324 0.0361 -0.0602 41 PHE z CB +49081 C CG . PHE MA 41 ? 1.9349 1.5281 1.3950 0.1331 0.0403 -0.0576 41 PHE z CG +49082 C CD1 . PHE MA 41 ? 1.9045 1.5070 1.3740 0.1352 0.0446 -0.0557 41 PHE z CD1 +49083 C CD2 . PHE MA 41 ? 2.0316 1.6241 1.4863 0.1318 0.0400 -0.0573 41 PHE z CD2 +49084 C CE1 . PHE MA 41 ? 2.0101 1.6212 1.4841 0.1356 0.0487 -0.0534 41 PHE z CE1 +49085 C CE2 . PHE MA 41 ? 2.1587 1.7594 1.6175 0.1324 0.0441 -0.0549 41 PHE z CE2 +49086 C CZ . PHE MA 41 ? 1.9329 1.5429 1.4014 0.1342 0.0485 -0.0530 41 PHE z CZ +49087 N N . LEU MA 42 ? 1.5078 1.0775 0.9614 0.1295 0.0279 -0.0640 42 LEU z N +49088 C CA . LEU MA 42 ? 1.6268 1.1878 1.0755 0.1317 0.0273 -0.0662 42 LEU z CA +49089 C C . LEU MA 42 ? 1.7676 1.3310 1.2251 0.1288 0.0246 -0.0655 42 LEU z C +49090 O O . LEU MA 42 ? 1.5219 1.0844 0.9814 0.1316 0.0263 -0.0656 42 LEU z O +49091 C CB . LEU MA 42 ? 1.4475 0.9959 0.8832 0.1311 0.0240 -0.0693 42 LEU z CB +49092 C CG . LEU MA 42 ? 2.1616 1.7033 1.5853 0.1358 0.0270 -0.0710 42 LEU z CG +49093 C CD1 . LEU MA 42 ? 2.0130 1.5632 1.4394 0.1387 0.0323 -0.0689 42 LEU z CD1 +49094 C CD2 . LEU MA 42 ? 2.1771 1.7098 1.5901 0.1335 0.0230 -0.0732 42 LEU z CD2 +49095 N N . GLY MA 43 ? 1.6054 1.1715 1.0680 0.1232 0.0204 -0.0648 43 GLY z N +49096 C CA . GLY MA 43 ? 1.6565 1.2262 1.1285 0.1202 0.0183 -0.0638 43 GLY z CA +49097 C C . GLY MA 43 ? 1.3576 0.9375 0.8401 0.1225 0.0221 -0.0612 43 GLY z C +49098 O O . GLY MA 43 ? 1.5098 1.0898 0.9967 0.1232 0.0222 -0.0610 43 GLY z O +49099 N N . SER MA 44 ? 1.4739 1.0624 0.9603 0.1237 0.0255 -0.0593 44 SER z N +49100 C CA . SER MA 44 ? 1.4502 1.0492 0.9471 0.1256 0.0292 -0.0569 44 SER z CA +49101 C C . SER MA 44 ? 1.3255 0.9219 0.8200 0.1313 0.0328 -0.0578 44 SER z C +49102 O O . SER MA 44 ? 1.6024 1.2025 1.1039 0.1323 0.0335 -0.0569 44 SER z O +49103 C CB . SER MA 44 ? 1.3025 0.9104 0.8031 0.1256 0.0321 -0.0549 44 SER z CB +49104 O OG . SER MA 44 ? 1.4351 1.0461 0.9391 0.1204 0.0287 -0.0539 44 SER z OG +49105 N N . GLY MA 45 ? 1.5714 1.1612 1.0555 0.1353 0.0351 -0.0595 45 GLY z N +49106 C CA . GLY MA 45 ? 1.2269 0.8134 0.7079 0.1409 0.0383 -0.0606 45 GLY z CA +49107 C C . GLY MA 45 ? 1.3748 0.9531 0.8534 0.1409 0.0354 -0.0622 45 GLY z C +49108 O O . GLY MA 45 ? 1.4854 1.0650 0.9674 0.1441 0.0373 -0.0620 45 GLY z O +49109 N N . LEU MA 46 ? 1.4152 0.9850 0.8878 0.1371 0.0308 -0.0638 46 LEU z N +49110 C CA . LEU MA 46 ? 1.3561 0.9178 0.8264 0.1365 0.0279 -0.0653 46 LEU z CA +49111 C C . LEU MA 46 ? 1.5779 1.1470 1.0601 0.1341 0.0269 -0.0632 46 LEU z C +49112 O O . LEU MA 46 ? 1.5070 1.0732 0.9901 0.1362 0.0271 -0.0635 46 LEU z O +49113 C CB . LEU MA 46 ? 1.3681 0.9201 0.8305 0.1323 0.0231 -0.0674 46 LEU z CB +49114 C CG . LEU MA 46 ? 1.8321 1.3741 1.2905 0.1314 0.0202 -0.0692 46 LEU z CG +49115 C CD1 . LEU MA 46 ? 1.6275 1.1625 1.0789 0.1376 0.0231 -0.0708 46 LEU z CD1 +49116 C CD2 . LEU MA 46 ? 1.6144 1.1474 1.0654 0.1270 0.0154 -0.0714 46 LEU z CD2 +49117 N N . TRP MA 47 ? 1.5568 1.1354 1.0480 0.1300 0.0259 -0.0610 47 TRP z N +49118 C CA . TRP MA 47 ? 1.4743 1.0607 0.9771 0.1276 0.0250 -0.0589 47 TRP z CA +49119 C C . TRP MA 47 ? 1.3919 0.9849 0.9007 0.1325 0.0292 -0.0576 47 TRP z C +49120 O O . TRP MA 47 ? 1.2815 0.8732 0.7931 0.1337 0.0288 -0.0576 47 TRP z O +49121 C CB . TRP MA 47 ? 1.4462 1.0416 0.9568 0.1228 0.0235 -0.0569 47 TRP z CB +49122 C CG . TRP MA 47 ? 1.5626 1.1649 1.0844 0.1194 0.0218 -0.0550 47 TRP z CG +49123 C CD1 . TRP MA 47 ? 1.4339 1.0331 0.9573 0.1146 0.0175 -0.0553 47 TRP z CD1 +49124 C CD2 . TRP MA 47 ? 1.1714 0.7850 0.7042 0.1204 0.0244 -0.0525 47 TRP z CD2 +49125 N NE1 . TRP MA 47 ? 1.3569 0.9644 0.8914 0.1128 0.0173 -0.0531 47 TRP z NE1 +49126 C CE2 . TRP MA 47 ? 1.4022 1.0187 0.9426 0.1163 0.0214 -0.0514 47 TRP z CE2 +49127 C CE3 . TRP MA 47 ? 1.3133 0.9349 0.8504 0.1243 0.0289 -0.0511 47 TRP z CE3 +49128 C CZ2 . TRP MA 47 ? 1.3241 0.9509 0.8758 0.1161 0.0227 -0.0490 47 TRP z CZ2 +49129 C CZ3 . TRP MA 47 ? 1.2995 0.9316 0.8481 0.1240 0.0302 -0.0488 47 TRP z CZ3 +49130 C CH2 . TRP MA 47 ? 1.1982 0.8327 0.7539 0.1200 0.0270 -0.0478 47 TRP z CH2 +49131 N N . ILE MA 48 ? 1.3297 0.9299 0.8405 0.1353 0.0333 -0.0566 48 ILE z N +49132 C CA . ILE MA 48 ? 1.2785 0.8850 0.7945 0.1403 0.0375 -0.0556 48 ILE z CA +49133 C C . ILE MA 48 ? 1.5495 1.1471 1.0586 0.1451 0.0383 -0.0576 48 ILE z C +49134 O O . ILE MA 48 ? 1.5885 1.1894 1.1028 0.1480 0.0398 -0.0570 48 ILE z O +49135 C CB . ILE MA 48 ? 1.3445 0.9577 0.8609 0.1429 0.0420 -0.0548 48 ILE z CB +49136 C CG1 . ILE MA 48 ? 1.4429 1.0642 0.9655 0.1382 0.0412 -0.0529 48 ILE z CG1 +49137 C CG2 . ILE MA 48 ? 1.4745 1.0956 0.9976 0.1477 0.0463 -0.0538 48 ILE z CG2 +49138 C CD1 . ILE MA 48 ? 1.5911 1.2204 1.1160 0.1406 0.0459 -0.0516 48 ILE z CD1 +49139 N N . ALA MA 49 ? 1.3609 0.9468 0.8579 0.1459 0.0372 -0.0601 49 ALA z N +49140 C CA . ALA MA 49 ? 1.3540 0.9305 0.8434 0.1506 0.0380 -0.0622 49 ALA z CA +49141 C C . ALA MA 49 ? 1.3545 0.9265 0.8459 0.1490 0.0348 -0.0624 49 ALA z C +49142 O O . ALA MA 49 ? 1.2457 0.8173 0.7387 0.1530 0.0363 -0.0624 49 ALA z O +49143 C CB . ALA MA 49 ? 1.5291 1.0940 1.0049 0.1515 0.0373 -0.0649 49 ALA z CB +49144 N N . LEU MA 50 ? 1.3527 0.9210 0.8438 0.1432 0.0303 -0.0625 50 LEU z N +49145 C CA . LEU MA 50 ? 1.4560 1.0198 0.9489 0.1411 0.0273 -0.0626 50 LEU z CA +49146 C C . LEU MA 50 ? 1.5207 1.0950 1.0259 0.1414 0.0284 -0.0601 50 LEU z C +49147 O O . LEU MA 50 ? 1.5274 1.0986 1.0335 0.1431 0.0280 -0.0602 50 LEU z O +49148 C CB . LEU MA 50 ? 1.4899 1.0494 0.9813 0.1344 0.0226 -0.0632 50 LEU z CB +49149 C CG . LEU MA 50 ? 1.6356 1.1815 1.1144 0.1336 0.0202 -0.0662 50 LEU z CG +49150 C CD1 . LEU MA 50 ? 1.6897 1.2355 1.1688 0.1270 0.0162 -0.0664 50 LEU z CD1 +49151 C CD2 . LEU MA 50 ? 1.3999 0.9349 0.8733 0.1347 0.0187 -0.0677 50 LEU z CD2 +49152 N N . VAL MA 51 ? 1.4692 1.0558 0.9837 0.1397 0.0297 -0.0579 51 VAL z N +49153 C CA . VAL MA 51 ? 1.4463 1.0435 0.9725 0.1401 0.0308 -0.0555 51 VAL z CA +49154 C C . VAL MA 51 ? 1.3320 0.9303 0.8584 0.1468 0.0345 -0.0557 51 VAL z C +49155 O O . VAL MA 51 ? 1.3755 0.9745 0.9061 0.1483 0.0342 -0.0551 51 VAL z O +49156 C CB . VAL MA 51 ? 1.4202 1.0300 0.9555 0.1374 0.0320 -0.0533 51 VAL z CB +49157 C CG1 . VAL MA 51 ? 1.2566 0.8777 0.8034 0.1392 0.0342 -0.0511 51 VAL z CG1 +49158 C CG2 . VAL MA 51 ? 1.2866 0.8966 0.8241 0.1306 0.0280 -0.0527 51 VAL z CG2 +49159 N N . LEU MA 52 ? 1.4273 1.0260 0.9493 0.1511 0.0380 -0.0565 52 LEU z N +49160 C CA . LEU MA 52 ? 1.4929 1.0921 1.0143 0.1579 0.0415 -0.0570 52 LEU z CA +49161 C C . LEU MA 52 ? 1.5866 1.1731 1.0995 0.1604 0.0400 -0.0590 52 LEU z C +49162 O O . LEU MA 52 ? 1.4184 1.0054 0.9332 0.1648 0.0413 -0.0590 52 LEU z O +49163 C CB . LEU MA 52 ? 1.5969 1.1981 1.1143 0.1617 0.0457 -0.0577 52 LEU z CB +49164 C CG . LEU MA 52 ? 1.3743 0.9894 0.9012 0.1608 0.0484 -0.0555 52 LEU z CG +49165 C CD1 . LEU MA 52 ? 1.5298 1.1451 1.0510 0.1633 0.0520 -0.0563 52 LEU z CD1 +49166 C CD2 . LEU MA 52 ? 1.4014 1.0264 0.9386 0.1640 0.0508 -0.0540 52 LEU z CD2 +49167 N N . VAL MA 53 ? 1.4968 1.0720 1.0003 0.1575 0.0369 -0.0608 53 VAL z N +49168 C CA . VAL MA 53 ? 1.5667 1.1289 1.0616 0.1594 0.0352 -0.0628 53 VAL z CA +49169 C C . VAL MA 53 ? 1.5076 1.0700 1.0083 0.1572 0.0327 -0.0616 53 VAL z C +49170 O O . VAL MA 53 ? 1.4480 1.0073 0.9481 0.1613 0.0334 -0.0619 53 VAL z O +49171 C CB . VAL MA 53 ? 1.6225 1.1728 1.1061 0.1564 0.0325 -0.0651 53 VAL z CB +49172 C CG1 . VAL MA 53 ? 1.4312 0.9690 0.9084 0.1556 0.0294 -0.0666 53 VAL z CG1 +49173 C CG2 . VAL MA 53 ? 1.4835 1.0296 0.9581 0.1609 0.0355 -0.0669 53 VAL z CG2 +49174 N N . VAL MA 54 ? 1.5694 1.1352 1.0757 0.1508 0.0296 -0.0604 54 VAL z N +49175 C CA . VAL MA 54 ? 1.4962 1.0626 1.0084 0.1482 0.0272 -0.0591 54 VAL z CA +49176 C C . VAL MA 54 ? 1.3495 0.9262 0.8712 0.1520 0.0298 -0.0572 54 VAL z C +49177 O O . VAL MA 54 ? 1.3415 0.9159 0.8647 0.1536 0.0291 -0.0568 54 VAL z O +49178 C CB . VAL MA 54 ? 1.4353 1.0051 0.9526 0.1407 0.0239 -0.0580 54 VAL z CB +49179 C CG1 . VAL MA 54 ? 1.5223 1.0928 1.0456 0.1380 0.0216 -0.0567 54 VAL z CG1 +49180 C CG2 . VAL MA 54 ? 1.3962 0.9557 0.9039 0.1371 0.0211 -0.0602 54 VAL z CG2 +49181 N N . GLY MA 55 ? 1.3685 0.9566 0.8965 0.1537 0.0328 -0.0560 55 GLY z N +49182 C CA . GLY MA 55 ? 1.3534 0.9519 0.8909 0.1572 0.0353 -0.0543 55 GLY z CA +49183 C C . GLY MA 55 ? 1.4092 1.0031 0.9425 0.1642 0.0374 -0.0555 55 GLY z C +49184 O O . GLY MA 55 ? 1.4748 1.0732 1.0142 0.1667 0.0379 -0.0544 55 GLY z O +49185 N N . VAL MA 56 ? 1.7224 1.3071 1.2449 0.1676 0.0386 -0.0577 56 VAL z N +49186 C CA . VAL MA 56 ? 1.4088 0.9883 0.9265 0.1746 0.0406 -0.0590 56 VAL z CA +49187 C C . VAL MA 56 ? 1.4294 0.9969 0.9412 0.1742 0.0375 -0.0599 56 VAL z C +49188 O O . VAL MA 56 ? 1.3559 0.9229 0.8694 0.1782 0.0379 -0.0596 56 VAL z O +49189 C CB . VAL MA 56 ? 1.5196 1.0942 1.0282 0.1786 0.0434 -0.0611 56 VAL z CB +49190 C CG1 . VAL MA 56 ? 1.4534 1.0184 0.9539 0.1850 0.0444 -0.0629 56 VAL z CG1 +49191 C CG2 . VAL MA 56 ? 1.4736 1.0611 0.9891 0.1808 0.0474 -0.0600 56 VAL z CG2 +49192 N N . LEU MA 57 ? 1.3917 0.9492 0.8963 0.1695 0.0344 -0.0611 57 LEU z N +49193 C CA . LEU MA 57 ? 1.3775 0.9226 0.8757 0.1688 0.0315 -0.0620 57 LEU z CA +49194 C C . LEU MA 57 ? 1.6090 1.1585 1.1157 0.1664 0.0296 -0.0600 57 LEU z C +49195 O O . LEU MA 57 ? 1.5783 1.1192 1.0810 0.1675 0.0282 -0.0605 57 LEU z O +49196 C CB . LEU MA 57 ? 1.5015 1.0360 0.9911 0.1635 0.0285 -0.0637 57 LEU z CB +49197 C CG . LEU MA 57 ? 1.7359 1.2618 1.2141 0.1663 0.0298 -0.0663 57 LEU z CG +49198 C CD1 . LEU MA 57 ? 1.5954 1.1115 1.0658 0.1606 0.0264 -0.0679 57 LEU z CD1 +49199 C CD2 . LEU MA 57 ? 1.4218 0.9392 0.8925 0.1732 0.0315 -0.0678 57 LEU z CD2 +49200 N N . ASN MA 58 ? 1.6682 1.2306 1.1862 0.1631 0.0296 -0.0578 58 ASN z N +49201 C CA . ASN MA 58 ? 1.5519 1.1196 1.0785 0.1611 0.0281 -0.0557 58 ASN z CA +49202 C C . ASN MA 58 ? 1.5121 1.0784 1.0388 0.1674 0.0294 -0.0556 58 ASN z C +49203 O O . ASN MA 58 ? 1.5105 1.0714 1.0365 0.1667 0.0273 -0.0552 58 ASN z O +49204 C CB . ASN MA 58 ? 1.5290 1.1122 1.0679 0.1585 0.0290 -0.0534 58 ASN z CB +49205 C CG . ASN MA 58 ? 1.4822 1.0723 1.0306 0.1579 0.0281 -0.0513 58 ASN z CG +49206 O OD1 . ASN MA 58 ? 1.2235 0.8111 0.7735 0.1529 0.0251 -0.0505 58 ASN z OD1 +49207 N ND2 . ASN MA 58 ? 1.1568 0.7557 0.7116 0.1629 0.0307 -0.0504 58 ASN z ND2 +49208 N N . PHE MA 59 ? 1.4454 1.0162 0.9724 0.1737 0.0329 -0.0561 59 PHE z N +49209 C CA . PHE MA 59 ? 1.5767 1.1485 1.1054 0.1801 0.0343 -0.0559 59 PHE z CA +49210 C C . PHE MA 59 ? 1.6311 1.1878 1.1481 0.1840 0.0336 -0.0579 59 PHE z C +49211 O O . PHE MA 59 ? 1.7415 1.2975 1.2586 0.1897 0.0346 -0.0579 59 PHE z O +49212 C CB . PHE MA 59 ? 1.4044 0.9874 0.9386 0.1853 0.0383 -0.0556 59 PHE z CB +49213 C CG . PHE MA 59 ? 1.6451 1.2432 1.1913 0.1818 0.0390 -0.0535 59 PHE z CG +49214 C CD1 . PHE MA 59 ? 1.6045 1.2119 1.1612 0.1814 0.0385 -0.0515 59 PHE z CD1 +49215 C CD2 . PHE MA 59 ? 1.6347 1.2372 1.1815 0.1788 0.0402 -0.0536 59 PHE z CD2 +49216 C CE1 . PHE MA 59 ? 1.5814 1.2024 1.1490 0.1781 0.0392 -0.0496 59 PHE z CE1 +49217 C CE2 . PHE MA 59 ? 1.6869 1.3027 1.2443 0.1756 0.0409 -0.0516 59 PHE z CE2 +49218 C CZ . PHE MA 59 ? 1.5438 1.1689 1.1117 0.1752 0.0404 -0.0496 59 PHE z CZ +49219 N N . PHE MA 60 ? 1.6776 1.2220 1.1844 0.1810 0.0319 -0.0596 60 PHE z N +49220 C CA . PHE MA 60 ? 1.5979 1.1268 1.0936 0.1834 0.0306 -0.0614 60 PHE z CA +49221 C C . PHE MA 60 ? 1.7599 1.2815 1.2543 0.1779 0.0269 -0.0608 60 PHE z C +49222 O O . PHE MA 60 ? 2.0931 1.6034 1.5805 0.1799 0.0258 -0.0617 60 PHE z O +49223 C CB . PHE MA 60 ? 1.7180 1.2367 1.2021 0.1841 0.0312 -0.0640 60 PHE z CB +49224 C CG . PHE MA 60 ? 1.6533 1.1782 1.1375 0.1891 0.0349 -0.0647 60 PHE z CG +49225 C CD1 . PHE MA 60 ? 1.7048 1.2376 1.1943 0.1957 0.0379 -0.0641 60 PHE z CD1 +49226 C CD2 . PHE MA 60 ? 1.9155 1.4387 1.3947 0.1872 0.0355 -0.0660 60 PHE z CD2 +49227 C CE1 . PHE MA 60 ? 1.8721 1.4109 1.3619 0.2001 0.0416 -0.0648 60 PHE z CE1 +49228 C CE2 . PHE MA 60 ? 2.1417 1.6703 1.6206 0.1917 0.0392 -0.0667 60 PHE z CE2 +49229 C CZ . PHE MA 60 ? 2.1965 1.7331 1.6809 0.1981 0.0423 -0.0660 60 PHE z CZ +49230 N N . VAL MA 61 ? 1.7188 1.2464 1.2197 0.1709 0.0250 -0.0595 61 VAL z N +49231 C CA . VAL MA 61 ? 1.8923 1.4131 1.3920 0.1649 0.0215 -0.0591 61 VAL z CA +49232 C C . VAL MA 61 ? 1.9144 1.4444 1.4250 0.1630 0.0206 -0.0564 61 VAL z C +49233 O O . VAL MA 61 ? 1.6327 1.1573 1.1428 0.1586 0.0180 -0.0559 61 VAL z O +49234 C CB . VAL MA 61 ? 1.7668 1.2855 1.2643 0.1580 0.0196 -0.0598 61 VAL z CB +49235 C CG1 . VAL MA 61 ? 1.7347 1.2682 1.2438 0.1538 0.0196 -0.0578 61 VAL z CG1 +49236 C CG2 . VAL MA 61 ? 1.9090 1.4156 1.4005 0.1529 0.0162 -0.0606 61 VAL z CG2 +49237 N N . VAL MA 62 ? 1.6596 1.2030 1.1798 0.1661 0.0228 -0.0549 62 VAL z N +49238 C CA . VAL MA 62 ? 1.7536 1.3062 1.2842 0.1647 0.0220 -0.0524 62 VAL z CA +49239 C C . VAL MA 62 ? 1.9034 1.4621 1.4381 0.1720 0.0244 -0.0518 62 VAL z C +49240 O O . VAL MA 62 ? 2.0884 1.6472 1.6259 0.1734 0.0234 -0.0507 62 VAL z O +49241 C CB . VAL MA 62 ? 1.5984 1.1638 1.1391 0.1592 0.0218 -0.0508 62 VAL z CB +49242 C CG1 . VAL MA 62 ? 1.6009 1.1788 1.1534 0.1599 0.0222 -0.0484 62 VAL z CG1 +49243 C CG2 . VAL MA 62 ? 1.5454 1.1053 1.0840 0.1514 0.0187 -0.0509 62 VAL z CG2 +49244 O OXT . VAL MA 62 ? 1.7513 1.3151 1.2865 0.1768 0.0272 -0.0525 62 VAL z OXT +49245 FE FE A FE2 NA . ? 0.7509 0.5866 0.6268 0.0099 -0.0287 0.0240 401 FE2 A FE +49246 FE FE B FE2 NA . ? 0.7472 0.5834 0.6234 0.0100 -0.0288 0.0239 401 FE2 A FE +49247 CL CL A CL OA . ? 0.6205 0.5312 0.5309 -0.0241 -0.0060 0.0058 402 CL A CL +49248 CL CL B CL OA . ? 0.6202 0.5311 0.5310 -0.0241 -0.0059 0.0058 402 CL A CL +49249 CL CL A CL PA . ? 0.7093 0.5958 0.5808 -0.0191 0.0157 -0.0011 403 CL A CL +49250 CL CL B CL PA . ? 0.7077 0.5944 0.5795 -0.0191 0.0158 -0.0011 403 CL A CL +49251 MG MG A CLA QA . ? 0.6013 0.4984 0.5213 -0.0190 -0.0173 0.0057 404 CLA A MG +49252 MG MG B CLA QA . ? 0.6014 0.4986 0.5214 -0.0191 -0.0173 0.0058 404 CLA A MG +49253 C CHA A CLA QA . ? 0.6011 0.5035 0.5252 -0.0142 -0.0154 0.0051 404 CLA A CHA +49254 C CHA B CLA QA . ? 0.6006 0.5029 0.5246 -0.0142 -0.0154 0.0051 404 CLA A CHA +49255 C CHB A CLA QA . ? 0.5866 0.4803 0.5070 -0.0184 -0.0186 0.0077 404 CLA A CHB +49256 C CHB B CLA QA . ? 0.5864 0.4802 0.5068 -0.0184 -0.0186 0.0077 404 CLA A CHB +49257 C CHC A CLA QA . ? 0.5417 0.4386 0.4613 -0.0241 -0.0193 0.0067 404 CLA A CHC +49258 C CHC B CLA QA . ? 0.5402 0.4371 0.4598 -0.0241 -0.0193 0.0066 404 CLA A CHC +49259 C CHD A CLA QA . ? 0.5879 0.4886 0.5067 -0.0195 -0.0156 0.0043 404 CLA A CHD +49260 C CHD B CLA QA . ? 0.5891 0.4899 0.5079 -0.0196 -0.0156 0.0043 404 CLA A CHD +49261 N NA A CLA QA . ? 0.6254 0.5233 0.5473 -0.0167 -0.0172 0.0063 404 CLA A NA +49262 N NA B CLA QA . ? 0.6263 0.5244 0.5483 -0.0167 -0.0172 0.0063 404 CLA A NA +49263 C C1A A CLA QA . ? 0.6071 0.5069 0.5303 -0.0147 -0.0166 0.0059 404 CLA A C1A +49264 C C1A B CLA QA . ? 0.6063 0.5060 0.5294 -0.0148 -0.0166 0.0059 404 CLA A C1A +49265 C C2A A CLA QA . ? 0.6723 0.5717 0.5963 -0.0131 -0.0170 0.0063 404 CLA A C2A +49266 C C2A B CLA QA . ? 0.6735 0.5727 0.5973 -0.0131 -0.0170 0.0063 404 CLA A C2A +49267 C C3A A CLA QA . ? 0.6307 0.5266 0.5529 -0.0143 -0.0179 0.0071 404 CLA A C3A +49268 C C3A B CLA QA . ? 0.6311 0.5270 0.5532 -0.0144 -0.0179 0.0071 404 CLA A C3A +49269 C C4A A CLA QA . ? 0.6389 0.5347 0.5603 -0.0166 -0.0179 0.0070 404 CLA A C4A +49270 C C4A B CLA QA . ? 0.6403 0.5362 0.5618 -0.0167 -0.0179 0.0070 404 CLA A C4A +49271 C CMA A CLA QA . ? 0.6060 0.4970 0.5252 -0.0132 -0.0180 0.0065 404 CLA A CMA +49272 C CMA B CLA QA . ? 0.6065 0.4974 0.5256 -0.0133 -0.0180 0.0066 404 CLA A CMA +49273 C CAA A CLA QA . ? 0.7098 0.6137 0.6368 -0.0134 -0.0171 0.0071 404 CLA A CAA +49274 C CAA B CLA QA . ? 0.7131 0.6170 0.6401 -0.0133 -0.0170 0.0070 404 CLA A CAA +49275 C CBA A CLA QA . ? 0.7558 0.6601 0.6839 -0.0121 -0.0177 0.0077 404 CLA A CBA +49276 C CBA B CLA QA . ? 0.7628 0.6668 0.6907 -0.0119 -0.0177 0.0076 404 CLA A CBA +49277 C CGA A CLA QA . ? 0.8016 0.7082 0.7314 -0.0097 -0.0172 0.0068 404 CLA A CGA +49278 C CGA B CLA QA . ? 0.8042 0.7107 0.7340 -0.0095 -0.0172 0.0068 404 CLA A CGA +49279 O O1A A CLA QA . ? 0.8587 0.7676 0.7896 -0.0095 -0.0162 0.0060 404 CLA A O1A +49280 O O1A B CLA QA . ? 0.8631 0.7719 0.7939 -0.0094 -0.0162 0.0060 404 CLA A O1A +49281 O O2A A CLA QA . ? 0.7587 0.6650 0.6889 -0.0075 -0.0178 0.0069 404 CLA A O2A +49282 O O2A B CLA QA . ? 0.7641 0.6703 0.6942 -0.0073 -0.0178 0.0069 404 CLA A O2A +49283 N NB A CLA QA . ? 0.5791 0.4747 0.4992 -0.0211 -0.0186 0.0070 404 CLA A NB +49284 N NB B CLA QA . ? 0.5795 0.4750 0.4996 -0.0211 -0.0186 0.0070 404 CLA A NB +49285 C C1B A CLA QA . ? 0.5998 0.4937 0.5198 -0.0207 -0.0189 0.0076 404 CLA A C1B +49286 C C1B B CLA QA . ? 0.6007 0.4945 0.5207 -0.0207 -0.0189 0.0076 404 CLA A C1B +49287 C C2B A CLA QA . ? 0.5687 0.4613 0.4885 -0.0227 -0.0196 0.0084 404 CLA A C2B +49288 C C2B B CLA QA . ? 0.5680 0.4607 0.4878 -0.0227 -0.0196 0.0084 404 CLA A C2B +49289 C C3B A CLA QA . ? 0.5998 0.4938 0.5197 -0.0244 -0.0199 0.0080 404 CLA A C3B +49290 C C3B B CLA QA . ? 0.6011 0.4952 0.5211 -0.0244 -0.0199 0.0080 404 CLA A C3B +49291 C C4B A CLA QA . ? 0.5895 0.4851 0.5094 -0.0232 -0.0193 0.0072 404 CLA A C4B +49292 C C4B B CLA QA . ? 0.5904 0.4860 0.5103 -0.0232 -0.0193 0.0072 404 CLA A C4B +49293 C CMB A CLA QA . ? 0.5800 0.4703 0.4992 -0.0229 -0.0199 0.0093 404 CLA A CMB +49294 C CMB B CLA QA . ? 0.5811 0.4716 0.5005 -0.0229 -0.0199 0.0093 404 CLA A CMB +49295 C CAB A CLA QA . ? 0.6289 0.5233 0.5491 -0.0267 -0.0206 0.0082 404 CLA A CAB +49296 C CAB B CLA QA . ? 0.6308 0.5252 0.5510 -0.0267 -0.0206 0.0082 404 CLA A CAB +49297 C CBB A CLA QA . ? 0.6437 0.5371 0.5642 -0.0279 -0.0209 0.0090 404 CLA A CBB +49298 C CBB B CLA QA . ? 0.6447 0.5382 0.5653 -0.0279 -0.0209 0.0090 404 CLA A CBB +49299 N NC A CLA QA . ? 0.6226 0.5213 0.5420 -0.0213 -0.0176 0.0056 404 CLA A NC +49300 N NC B CLA QA . ? 0.6255 0.5241 0.5448 -0.0213 -0.0176 0.0055 404 CLA A NC +49301 C C1C A CLA QA . ? 0.5501 0.4482 0.4692 -0.0231 -0.0185 0.0059 404 CLA A C1C +49302 C C1C B CLA QA . ? 0.5491 0.4472 0.4682 -0.0231 -0.0185 0.0059 404 CLA A C1C +49303 C C2C A CLA QA . ? 0.5980 0.4970 0.5163 -0.0242 -0.0188 0.0056 404 CLA A C2C +49304 C C2C B CLA QA . ? 0.5995 0.4985 0.5178 -0.0242 -0.0188 0.0056 404 CLA A C2C +49305 C C3C A CLA QA . ? 0.5766 0.4764 0.4943 -0.0228 -0.0176 0.0049 404 CLA A C3C +49306 C C3C B CLA QA . ? 0.5766 0.4764 0.4943 -0.0228 -0.0176 0.0049 404 CLA A C3C +49307 C C4C A CLA QA . ? 0.5518 0.4515 0.4705 -0.0212 -0.0169 0.0049 404 CLA A C4C +49308 C C4C B CLA QA . ? 0.5514 0.4512 0.4701 -0.0212 -0.0169 0.0049 404 CLA A C4C +49309 C CMC A CLA QA . ? 0.5596 0.4588 0.4777 -0.0261 -0.0199 0.0057 404 CLA A CMC +49310 C CMC B CLA QA . ? 0.5600 0.4591 0.4781 -0.0261 -0.0199 0.0057 404 CLA A CMC +49311 C CAC A CLA QA . ? 0.6219 0.5221 0.5381 -0.0230 -0.0172 0.0044 404 CLA A CAC +49312 C CAC B CLA QA . ? 0.6240 0.5243 0.5402 -0.0230 -0.0172 0.0044 404 CLA A CAC +49313 C CBC A CLA QA . ? 0.6016 0.5051 0.5195 -0.0239 -0.0174 0.0052 404 CLA A CBC +49314 C CBC B CLA QA . ? 0.6021 0.5058 0.5202 -0.0238 -0.0173 0.0052 404 CLA A CBC +49315 N ND A CLA QA . ? 0.6403 0.5410 0.5615 -0.0175 -0.0158 0.0049 404 CLA A ND +49316 N ND B CLA QA . ? 0.6426 0.5433 0.5638 -0.0176 -0.0158 0.0049 404 CLA A ND +49317 C C1D A CLA QA . ? 0.5486 0.4505 0.4692 -0.0178 -0.0150 0.0043 404 CLA A C1D +49318 C C1D B CLA QA . ? 0.5464 0.4484 0.4670 -0.0179 -0.0150 0.0043 404 CLA A C1D +49319 C C2D A CLA QA . ? 0.6126 0.5170 0.5346 -0.0164 -0.0136 0.0038 404 CLA A C2D +49320 C C2D B CLA QA . ? 0.6142 0.5186 0.5362 -0.0164 -0.0136 0.0038 404 CLA A C2D +49321 C C3D A CLA QA . ? 0.5693 0.4742 0.4931 -0.0149 -0.0138 0.0040 404 CLA A C3D +49322 C C3D B CLA QA . ? 0.5675 0.4724 0.4913 -0.0149 -0.0138 0.0041 404 CLA A C3D +49323 C C4D A CLA QA . ? 0.5943 0.4968 0.5172 -0.0157 -0.0151 0.0047 404 CLA A C4D +49324 C C4D B CLA QA . ? 0.5945 0.4970 0.5174 -0.0157 -0.0151 0.0047 404 CLA A C4D +49325 C CMD A CLA QA . ? 0.5697 0.4758 0.4915 -0.0161 -0.0121 0.0031 404 CLA A CMD +49326 C CMD B CLA QA . ? 0.5699 0.4760 0.4918 -0.0161 -0.0121 0.0032 404 CLA A CMD +49327 C CAD A CLA QA . ? 0.6364 0.5434 0.5625 -0.0129 -0.0133 0.0038 404 CLA A CAD +49328 C CAD B CLA QA . ? 0.6377 0.5447 0.5637 -0.0129 -0.0133 0.0038 404 CLA A CAD +49329 O OBD A CLA QA . ? 0.6318 0.5416 0.5594 -0.0120 -0.0120 0.0032 404 CLA A OBD +49330 O OBD B CLA QA . ? 0.6327 0.5425 0.5604 -0.0119 -0.0121 0.0032 404 CLA A OBD +49331 C CBD A CLA QA . ? 0.6701 0.5756 0.5963 -0.0123 -0.0145 0.0045 404 CLA A CBD +49332 C CBD B CLA QA . ? 0.6722 0.5776 0.5984 -0.0123 -0.0145 0.0045 404 CLA A CBD +49333 C CGD A CLA QA . ? 0.6630 0.5665 0.5884 -0.0100 -0.0142 0.0037 404 CLA A CGD +49334 C CGD B CLA QA . ? 0.6639 0.5674 0.5893 -0.0100 -0.0142 0.0037 404 CLA A CGD +49335 O O1D A CLA QA . ? 0.6262 0.5255 0.5487 -0.0097 -0.0145 0.0033 404 CLA A O1D +49336 O O1D B CLA QA . ? 0.6259 0.5251 0.5484 -0.0097 -0.0144 0.0033 404 CLA A O1D +49337 O O2D A CLA QA . ? 0.6421 0.5490 0.5702 -0.0080 -0.0136 0.0033 404 CLA A O2D +49338 O O2D B CLA QA . ? 0.6427 0.5496 0.5709 -0.0080 -0.0137 0.0033 404 CLA A O2D +49339 C CED A CLA QA . ? 0.6618 0.5672 0.5894 -0.0055 -0.0134 0.0025 404 CLA A CED +49340 C CED B CLA QA . ? 0.6627 0.5679 0.5902 -0.0055 -0.0135 0.0025 404 CLA A CED +49341 C C1 A CLA QA . ? 0.7281 0.6373 0.6604 -0.0053 -0.0173 0.0059 404 CLA A C1 +49342 C C1 B CLA QA . ? 0.7319 0.6411 0.6643 -0.0051 -0.0173 0.0059 404 CLA A C1 +49343 C C2 A CLA QA . ? 0.7053 0.6187 0.6407 -0.0047 -0.0178 0.0063 404 CLA A C2 +49344 C C2 B CLA QA . ? 0.7053 0.6188 0.6408 -0.0046 -0.0179 0.0063 404 CLA A C2 +49345 C C3 A CLA QA . ? 0.7041 0.6224 0.6427 -0.0054 -0.0172 0.0059 404 CLA A C3 +49346 C C3 B CLA QA . ? 0.7059 0.6242 0.6445 -0.0053 -0.0172 0.0059 404 CLA A C3 +49347 C C4 A CLA QA . ? 0.5584 0.4778 0.4972 -0.0066 -0.0158 0.0052 404 CLA A C4 +49348 C C4 B CLA QA . ? 0.5557 0.4750 0.4944 -0.0067 -0.0158 0.0053 404 CLA A C4 +49349 C C5 A CLA QA . ? 0.6817 0.6041 0.6234 -0.0049 -0.0178 0.0061 404 CLA A C5 +49350 C C5 B CLA QA . ? 0.6830 0.6054 0.6247 -0.0049 -0.0179 0.0061 404 CLA A C5 +49351 C C6 A CLA QA . ? 0.6210 0.5476 0.5660 -0.0030 -0.0174 0.0049 404 CLA A C6 +49352 C C6 B CLA QA . ? 0.6209 0.5476 0.5660 -0.0030 -0.0174 0.0049 404 CLA A C6 +49353 C C7 A CLA QA . ? 0.6391 0.5691 0.5867 -0.0024 -0.0185 0.0052 404 CLA A C7 +49354 C C7 B CLA QA . ? 0.6398 0.5698 0.5874 -0.0023 -0.0186 0.0052 404 CLA A C7 +49355 C C8 A CLA QA . ? 0.7044 0.6397 0.6561 -0.0010 -0.0181 0.0039 404 CLA A C8 +49356 C C8 B CLA QA . ? 0.7063 0.6416 0.6580 -0.0010 -0.0181 0.0039 404 CLA A C8 +49357 C C9 A CLA QA . ? 0.6216 0.5561 0.5732 0.0020 -0.0182 0.0029 404 CLA A C9 +49358 C C9 B CLA QA . ? 0.6217 0.5563 0.5734 0.0019 -0.0181 0.0029 404 CLA A C9 +49359 C C10 A CLA QA . ? 0.6118 0.5502 0.5658 -0.0009 -0.0194 0.0042 404 CLA A C10 +49360 C C10 B CLA QA . ? 0.6114 0.5502 0.5657 -0.0008 -0.0193 0.0041 404 CLA A C10 +49361 C C11 A CLA QA . ? 0.6079 0.5480 0.5627 -0.0037 -0.0191 0.0049 404 CLA A C11 +49362 C C11 B CLA QA . ? 0.6100 0.5497 0.5645 -0.0036 -0.0192 0.0050 404 CLA A C11 +49363 C C12 A CLA QA . ? 0.5751 0.5178 0.5317 -0.0036 -0.0205 0.0052 404 CLA A C12 +49364 C C12 B CLA QA . ? 0.5698 0.5130 0.5269 -0.0035 -0.0204 0.0050 404 CLA A C12 +49365 C C13 A CLA QA . ? 0.7206 0.6645 0.6776 -0.0063 -0.0201 0.0058 404 CLA A C13 +49366 C C13 B CLA QA . ? 0.7228 0.6668 0.6800 -0.0062 -0.0201 0.0058 404 CLA A C13 +49367 C C14 A CLA QA . ? 0.6600 0.6071 0.6194 -0.0079 -0.0184 0.0050 404 CLA A C14 +49368 C C14 B CLA QA . ? 0.6592 0.6063 0.6185 -0.0079 -0.0184 0.0050 404 CLA A C14 +49369 C C15 A CLA QA . ? 0.7570 0.7029 0.7154 -0.0062 -0.0215 0.0061 404 CLA A C15 +49370 C C15 B CLA QA . ? 0.7575 0.7037 0.7161 -0.0059 -0.0216 0.0060 404 CLA A C15 +49371 C C16 A CLA QA . ? 0.7482 0.6903 0.7034 -0.0053 -0.0230 0.0072 404 CLA A C16 +49372 C C16 B CLA QA . ? 0.7479 0.6902 0.7033 -0.0051 -0.0230 0.0072 404 CLA A C16 +49373 C C17 A CLA QA . ? 0.8803 0.8228 0.8352 -0.0067 -0.0237 0.0081 404 CLA A C17 +49374 C C17 B CLA QA . ? 0.8813 0.8240 0.8364 -0.0066 -0.0237 0.0080 404 CLA A C17 +49375 C C18 A CLA QA . ? 0.9059 0.8521 0.8635 -0.0055 -0.0250 0.0074 404 CLA A C18 +49376 C C18 B CLA QA . ? 0.9061 0.8526 0.8640 -0.0056 -0.0250 0.0074 404 CLA A C18 +49377 C C19 A CLA QA . ? 0.8586 0.8048 0.8165 -0.0025 -0.0261 0.0068 404 CLA A C19 +49378 C C19 B CLA QA . ? 0.8603 0.8075 0.8190 -0.0026 -0.0260 0.0066 404 CLA A C19 +49379 C C20 A CLA QA . ? 0.9437 0.8889 0.8998 -0.0062 -0.0261 0.0084 404 CLA A C20 +49380 C C20 B CLA QA . ? 0.9441 0.8892 0.9001 -0.0061 -0.0261 0.0084 404 CLA A C20 +49381 MG MG A CLA RA . ? 0.6151 0.5394 0.5551 -0.0164 -0.0165 0.0089 405 CLA A MG +49382 MG MG B CLA RA . ? 0.6195 0.5437 0.5595 -0.0164 -0.0165 0.0089 405 CLA A MG +49383 C CHA A CLA RA . ? 0.5437 0.4663 0.4822 -0.0196 -0.0182 0.0114 405 CLA A CHA +49384 C CHA B CLA RA . ? 0.5428 0.4653 0.4812 -0.0196 -0.0182 0.0114 405 CLA A CHA +49385 C CHB A CLA RA . ? 0.5463 0.4771 0.4918 -0.0148 -0.0176 0.0092 405 CLA A CHB +49386 C CHB B CLA RA . ? 0.5444 0.4751 0.4898 -0.0147 -0.0177 0.0093 405 CLA A CHB +49387 C CHC A CLA RA . ? 0.6256 0.5508 0.5669 -0.0123 -0.0149 0.0065 405 CLA A CHC +49388 C CHC B CLA RA . ? 0.6259 0.5512 0.5673 -0.0123 -0.0149 0.0065 405 CLA A CHC +49389 C CHD A CLA RA . ? 0.5620 0.4784 0.4955 -0.0181 -0.0162 0.0084 405 CLA A CHD +49390 C CHD B CLA RA . ? 0.5616 0.4779 0.4950 -0.0181 -0.0162 0.0084 405 CLA A CHD +49391 N NA A CLA RA . ? 0.6060 0.5319 0.5474 -0.0170 -0.0177 0.0102 405 CLA A NA +49392 N NA B CLA RA . ? 0.6077 0.5336 0.5490 -0.0170 -0.0177 0.0102 405 CLA A NA +49393 C C1A A CLA RA . ? 0.5729 0.4979 0.5134 -0.0183 -0.0182 0.0111 405 CLA A C1A +49394 C C1A B CLA RA . ? 0.5728 0.4977 0.5132 -0.0183 -0.0182 0.0111 405 CLA A C1A +49395 C C2A A CLA RA . ? 0.5515 0.4782 0.4932 -0.0183 -0.0188 0.0118 405 CLA A C2A +49396 C C2A B CLA RA . ? 0.5504 0.4771 0.4921 -0.0183 -0.0188 0.0118 405 CLA A C2A +49397 C C3A A CLA RA . ? 0.6575 0.5868 0.6013 -0.0169 -0.0187 0.0110 405 CLA A C3A +49398 C C3A B CLA RA . ? 0.6592 0.5884 0.6030 -0.0169 -0.0188 0.0110 405 CLA A C3A +49399 C C4A A CLA RA . ? 0.6188 0.5474 0.5623 -0.0162 -0.0179 0.0101 405 CLA A C4A +49400 C C4A B CLA RA . ? 0.6205 0.5491 0.5640 -0.0162 -0.0180 0.0101 405 CLA A C4A +49401 C CMA A CLA RA . ? 0.5942 0.5266 0.5398 -0.0180 -0.0181 0.0108 405 CLA A CMA +49402 C CMA B CLA RA . ? 0.5975 0.5300 0.5432 -0.0179 -0.0182 0.0109 405 CLA A CMA +49403 C CAA A CLA RA . ? 0.5616 0.4857 0.5019 -0.0175 -0.0197 0.0124 405 CLA A CAA +49404 C CAA B CLA RA . ? 0.5623 0.4862 0.5024 -0.0176 -0.0197 0.0125 405 CLA A CAA +49405 C CBA A CLA RA . ? 0.5792 0.5009 0.5183 -0.0160 -0.0198 0.0119 405 CLA A CBA +49406 C CBA B CLA RA . ? 0.5788 0.5006 0.5180 -0.0160 -0.0198 0.0119 405 CLA A CBA +49407 C CGA A CLA RA . ? 0.6559 0.5750 0.5935 -0.0148 -0.0206 0.0125 405 CLA A CGA +49408 C CGA B CLA RA . ? 0.6580 0.5772 0.5957 -0.0148 -0.0206 0.0125 405 CLA A CGA +49409 O O1A A CLA RA . ? 0.6840 0.6024 0.6210 -0.0152 -0.0211 0.0134 405 CLA A O1A +49410 O O1A B CLA RA . ? 0.6914 0.6102 0.6286 -0.0153 -0.0211 0.0134 405 CLA A O1A +49411 O O2A A CLA RA . ? 0.6259 0.5428 0.5625 -0.0130 -0.0207 0.0120 405 CLA A O2A +49412 O O2A B CLA RA . ? 0.6248 0.5417 0.5614 -0.0130 -0.0208 0.0120 405 CLA A O2A +49413 N NB A CLA RA . ? 0.6276 0.5552 0.5707 -0.0140 -0.0163 0.0080 405 CLA A NB +49414 N NB B CLA RA . ? 0.6280 0.5556 0.5711 -0.0140 -0.0163 0.0081 405 CLA A NB +49415 C C1B A CLA RA . ? 0.5973 0.5278 0.5427 -0.0137 -0.0168 0.0082 405 CLA A C1B +49416 C C1B B CLA RA . ? 0.5989 0.5294 0.5444 -0.0136 -0.0169 0.0082 405 CLA A C1B +49417 C C2B A CLA RA . ? 0.5838 0.5171 0.5317 -0.0118 -0.0166 0.0072 405 CLA A C2B +49418 C C2B B CLA RA . ? 0.5845 0.5178 0.5325 -0.0118 -0.0166 0.0072 405 CLA A C2B +49419 C C3B A CLA RA . ? 0.6286 0.5603 0.5754 -0.0110 -0.0157 0.0064 405 CLA A C3B +49420 C C3B B CLA RA . ? 0.6287 0.5605 0.5756 -0.0110 -0.0157 0.0064 405 CLA A C3B +49421 C C4B A CLA RA . ? 0.6267 0.5547 0.5703 -0.0125 -0.0156 0.0070 405 CLA A C4B +49422 C C4B B CLA RA . ? 0.6264 0.5545 0.5701 -0.0125 -0.0156 0.0070 405 CLA A C4B +49423 C CMB A CLA RA . ? 0.6408 0.5777 0.5917 -0.0110 -0.0172 0.0070 405 CLA A CMB +49424 C CMB B CLA RA . ? 0.6426 0.5796 0.5935 -0.0110 -0.0173 0.0070 405 CLA A CMB +49425 C CAB A CLA RA . ? 0.5197 0.4534 0.4683 -0.0091 -0.0150 0.0052 405 CLA A CAB +49426 C CAB B CLA RA . ? 0.5170 0.4509 0.4658 -0.0091 -0.0150 0.0052 405 CLA A CAB +49427 C CBB A CLA RA . ? 0.7096 0.6430 0.6577 -0.0090 -0.0136 0.0044 405 CLA A CBB +49428 C CBB B CLA RA . ? 0.7117 0.6449 0.6597 -0.0088 -0.0137 0.0044 405 CLA A CBB +49429 N NC A CLA RA . ? 0.5867 0.5077 0.5243 -0.0155 -0.0157 0.0078 405 CLA A NC +49430 N NC B CLA RA . ? 0.5875 0.5084 0.5251 -0.0154 -0.0157 0.0078 405 CLA A NC +49431 C C1C A CLA RA . ? 0.6355 0.5574 0.5740 -0.0138 -0.0150 0.0069 405 CLA A C1C +49432 C C1C B CLA RA . ? 0.6372 0.5590 0.5756 -0.0138 -0.0150 0.0069 405 CLA A C1C +49433 C C2C A CLA RA . ? 0.6397 0.5589 0.5759 -0.0135 -0.0142 0.0061 405 CLA A C2C +49434 C C2C B CLA RA . ? 0.6416 0.5609 0.5778 -0.0135 -0.0142 0.0061 405 CLA A C2C +49435 C C3C A CLA RA . ? 0.6009 0.5175 0.5347 -0.0153 -0.0147 0.0066 405 CLA A C3C +49436 C C3C B CLA RA . ? 0.6014 0.5181 0.5352 -0.0152 -0.0147 0.0066 405 CLA A C3C +49437 C C4C A CLA RA . ? 0.5897 0.5078 0.5248 -0.0163 -0.0156 0.0077 405 CLA A C4C +49438 C C4C B CLA RA . ? 0.5901 0.5082 0.5252 -0.0163 -0.0156 0.0077 405 CLA A C4C +49439 C CMC A CLA RA . ? 0.5853 0.5046 0.5215 -0.0117 -0.0132 0.0049 405 CLA A CMC +49440 C CMC B CLA RA . ? 0.5855 0.5049 0.5218 -0.0117 -0.0132 0.0049 405 CLA A CMC +49441 C CAC A CLA RA . ? 0.5888 0.5022 0.5197 -0.0158 -0.0145 0.0062 405 CLA A CAC +49442 C CAC B CLA RA . ? 0.5882 0.5016 0.5191 -0.0158 -0.0145 0.0061 405 CLA A CAC +49443 C CBC A CLA RA . ? 0.5690 0.4844 0.5002 -0.0161 -0.0132 0.0055 405 CLA A CBC +49444 C CBC B CLA RA . ? 0.5707 0.4860 0.5018 -0.0160 -0.0132 0.0055 405 CLA A CBC +49445 N ND A CLA RA . ? 0.6120 0.5323 0.5488 -0.0183 -0.0170 0.0097 405 CLA A ND +49446 N ND B CLA RA . ? 0.6134 0.5337 0.5502 -0.0183 -0.0170 0.0097 405 CLA A ND +49447 C C1D A CLA RA . ? 0.5603 0.4780 0.4949 -0.0191 -0.0169 0.0094 405 CLA A C1D +49448 C C1D B CLA RA . ? 0.5604 0.4781 0.4950 -0.0191 -0.0169 0.0094 405 CLA A C1D +49449 C C2D A CLA RA . ? 0.6403 0.5569 0.5738 -0.0208 -0.0175 0.0101 405 CLA A C2D +49450 C C2D B CLA RA . ? 0.6444 0.5609 0.5779 -0.0208 -0.0175 0.0101 405 CLA A C2D +49451 C C3D A CLA RA . ? 0.5287 0.4475 0.4641 -0.0210 -0.0179 0.0109 405 CLA A C3D +49452 C C3D B CLA RA . ? 0.5269 0.4456 0.4622 -0.0210 -0.0179 0.0109 405 CLA A C3D +49453 C C4D A CLA RA . ? 0.5437 0.4642 0.4806 -0.0196 -0.0177 0.0106 405 CLA A C4D +49454 C C4D B CLA RA . ? 0.5427 0.4632 0.4796 -0.0196 -0.0177 0.0106 405 CLA A C4D +49455 C CMD A CLA RA . ? 0.5234 0.4377 0.4549 -0.0220 -0.0178 0.0099 405 CLA A CMD +49456 C CMD B CLA RA . ? 0.5236 0.4379 0.4551 -0.0221 -0.0178 0.0099 405 CLA A CMD +49457 C CAD A CLA RA . ? 0.6344 0.5541 0.5703 -0.0220 -0.0185 0.0119 405 CLA A CAD +49458 C CAD B CLA RA . ? 0.6366 0.5563 0.5725 -0.0220 -0.0185 0.0119 405 CLA A CAD +49459 O OBD A CLA RA . ? 0.5878 0.5067 0.5230 -0.0234 -0.0188 0.0123 405 CLA A OBD +49460 O OBD B CLA RA . ? 0.5892 0.5081 0.5244 -0.0234 -0.0188 0.0123 405 CLA A OBD +49461 C CBD A CLA RA . ? 0.5777 0.4997 0.5155 -0.0212 -0.0186 0.0122 405 CLA A CBD +49462 C CBD B CLA RA . ? 0.5780 0.4999 0.5157 -0.0212 -0.0186 0.0122 405 CLA A CBD +49463 C CGD A CLA RA . ? 0.5935 0.5183 0.5326 -0.0220 -0.0183 0.0124 405 CLA A CGD +49464 C CGD B CLA RA . ? 0.5947 0.5195 0.5338 -0.0220 -0.0183 0.0124 405 CLA A CGD +49465 O O1D A CLA RA . ? 0.6161 0.5418 0.5553 -0.0224 -0.0177 0.0119 405 CLA A O1D +49466 O O1D B CLA RA . ? 0.6178 0.5433 0.5568 -0.0225 -0.0177 0.0119 405 CLA A O1D +49467 O O2D A CLA RA . ? 0.6712 0.5974 0.6112 -0.0223 -0.0188 0.0131 405 CLA A O2D +49468 O O2D B CLA RA . ? 0.6729 0.5991 0.6129 -0.0223 -0.0188 0.0131 405 CLA A O2D +49469 C CED A CLA RA . ? 0.6235 0.5522 0.5647 -0.0228 -0.0185 0.0132 405 CLA A CED +49470 C CED B CLA RA . ? 0.6246 0.5531 0.5657 -0.0229 -0.0185 0.0132 405 CLA A CED +49471 C C1 A CLA RA . ? 0.6778 0.5921 0.6128 -0.0116 -0.0216 0.0125 405 CLA A C1 +49472 C C1 B CLA RA . ? 0.6784 0.5926 0.6133 -0.0116 -0.0216 0.0126 405 CLA A C1 +49473 C C2 A CLA RA . ? 0.6427 0.5599 0.5797 -0.0097 -0.0222 0.0122 405 CLA A C2 +49474 C C2 B CLA RA . ? 0.6421 0.5593 0.5790 -0.0096 -0.0222 0.0122 405 CLA A C2 +49475 C C3 A CLA RA . ? 0.6737 0.5917 0.6109 -0.0094 -0.0230 0.0129 405 CLA A C3 +49476 C C3 B CLA RA . ? 0.6747 0.5928 0.6118 -0.0094 -0.0230 0.0128 405 CLA A C3 +49477 C C4 A CLA RA . ? 0.6511 0.5669 0.5862 -0.0110 -0.0231 0.0141 405 CLA A C4 +49478 C C4 B CLA RA . ? 0.6508 0.5669 0.5861 -0.0111 -0.0231 0.0141 405 CLA A C4 +49479 C C5 A CLA RA . ? 0.6714 0.5927 0.6108 -0.0075 -0.0238 0.0123 405 CLA A C5 +49480 C C5 B CLA RA . ? 0.6716 0.5930 0.6110 -0.0075 -0.0238 0.0123 405 CLA A C5 +49481 C C6 A CLA RA . ? 0.6870 0.6129 0.6293 -0.0087 -0.0237 0.0121 405 CLA A C6 +49482 C C6 B CLA RA . ? 0.6873 0.6132 0.6296 -0.0087 -0.0237 0.0120 405 CLA A C6 +49483 C C7 A CLA RA . ? 0.7043 0.6327 0.6486 -0.0097 -0.0225 0.0111 405 CLA A C7 +49484 C C7 B CLA RA . ? 0.7060 0.6347 0.6505 -0.0096 -0.0225 0.0110 405 CLA A C7 +49485 C C8 A CLA RA . ? 0.6875 0.6195 0.6341 -0.0113 -0.0221 0.0110 405 CLA A C8 +49486 C C8 B CLA RA . ? 0.6878 0.6200 0.6345 -0.0112 -0.0221 0.0110 405 CLA A C8 +49487 C C9 A CLA RA . ? 0.6258 0.5561 0.5706 -0.0133 -0.0220 0.0121 405 CLA A C9 +49488 C C9 B CLA RA . ? 0.6254 0.5560 0.5705 -0.0131 -0.0220 0.0121 405 CLA A C9 +49489 C C10 A CLA RA . ? 0.6441 0.5788 0.5928 -0.0119 -0.0209 0.0100 405 CLA A C10 +49490 C C10 B CLA RA . ? 0.6425 0.5773 0.5913 -0.0118 -0.0209 0.0100 405 CLA A C10 +49491 C C11 A CLA RA . ? 0.6479 0.5865 0.5991 -0.0130 -0.0206 0.0097 405 CLA A C11 +49492 C C11 B CLA RA . ? 0.6465 0.5850 0.5976 -0.0130 -0.0206 0.0097 405 CLA A C11 +49493 C C12 A CLA RA . ? 0.7261 0.6666 0.6788 -0.0140 -0.0192 0.0088 405 CLA A C12 +49494 C C12 B CLA RA . ? 0.7263 0.6668 0.6790 -0.0139 -0.0191 0.0088 405 CLA A C12 +49495 C C13 A CLA RA . ? 0.7388 0.6829 0.6940 -0.0151 -0.0188 0.0085 405 CLA A C13 +49496 C C13 B CLA RA . ? 0.7392 0.6833 0.6944 -0.0151 -0.0188 0.0084 405 CLA A C13 +49497 C C14 A CLA RA . ? 0.7177 0.6631 0.6737 -0.0162 -0.0171 0.0078 405 CLA A C14 +49498 C C14 B CLA RA . ? 0.7175 0.6631 0.6737 -0.0162 -0.0171 0.0077 405 CLA A C14 +49499 C C15 A CLA RA . ? 0.7366 0.6839 0.6945 -0.0138 -0.0197 0.0077 405 CLA A C15 +49500 C C15 B CLA RA . ? 0.7364 0.6837 0.6943 -0.0137 -0.0197 0.0077 405 CLA A C15 +49501 C C16 A CLA RA . ? 0.7665 0.7172 0.7268 -0.0151 -0.0195 0.0074 405 CLA A C16 +49502 C C16 B CLA RA . ? 0.7663 0.7169 0.7265 -0.0151 -0.0195 0.0074 405 CLA A C16 +49503 C C17 A CLA RA . ? 0.9202 0.8730 0.8822 -0.0139 -0.0211 0.0070 405 CLA A C17 +49504 C C17 B CLA RA . ? 0.9220 0.8750 0.8841 -0.0139 -0.0210 0.0070 405 CLA A C17 +49505 C C18 A CLA RA . ? 0.8379 0.7948 0.8037 -0.0128 -0.0209 0.0056 405 CLA A C18 +49506 C C18 B CLA RA . ? 0.8375 0.7945 0.8033 -0.0129 -0.0208 0.0055 405 CLA A C18 +49507 C C19 A CLA RA . ? 0.9732 0.9327 0.9409 -0.0117 -0.0226 0.0051 405 CLA A C19 +49508 C C19 B CLA RA . ? 0.9746 0.9342 0.9424 -0.0116 -0.0225 0.0050 405 CLA A C19 +49509 C C20 A CLA RA . ? 0.8409 0.8003 0.8087 -0.0147 -0.0191 0.0048 405 CLA A C20 +49510 C C20 B CLA RA . ? 0.8411 0.8006 0.8089 -0.0148 -0.0191 0.0048 405 CLA A C20 +49511 MG MG A CLA SA . ? 0.6781 0.5476 0.5870 -0.0349 -0.0224 0.0065 406 CLA A MG +49512 MG MG B CLA SA . ? 0.6795 0.5490 0.5883 -0.0350 -0.0224 0.0065 406 CLA A MG +49513 C CHA A CLA SA . ? 0.6935 0.5580 0.5975 -0.0286 -0.0216 0.0051 406 CLA A CHA +49514 C CHA B CLA SA . ? 0.6949 0.5595 0.5990 -0.0286 -0.0216 0.0051 406 CLA A CHA +49515 C CHB A CLA SA . ? 0.6460 0.5013 0.5480 -0.0370 -0.0220 0.0063 406 CLA A CHB +49516 C CHB B CLA SA . ? 0.6457 0.5010 0.5477 -0.0370 -0.0221 0.0063 406 CLA A CHB +49517 C CHC A CLA SA . ? 0.6343 0.5098 0.5488 -0.0404 -0.0225 0.0081 406 CLA A CHC +49518 C CHC B CLA SA . ? 0.6342 0.5097 0.5488 -0.0405 -0.0226 0.0081 406 CLA A CHC +49519 C CHD A CLA SA . ? 0.6153 0.4979 0.5303 -0.0321 -0.0222 0.0073 406 CLA A CHD +49520 C CHD B CLA SA . ? 0.6154 0.4980 0.5304 -0.0322 -0.0222 0.0073 406 CLA A CHD +49521 N NA A CLA SA . ? 0.6478 0.5092 0.5517 -0.0330 -0.0220 0.0059 406 CLA A NA +49522 N NA B CLA SA . ? 0.6477 0.5092 0.5517 -0.0330 -0.0220 0.0059 406 CLA A NA +49523 C C1A A CLA SA . ? 0.6432 0.5032 0.5455 -0.0305 -0.0218 0.0053 406 CLA A C1A +49524 C C1A B CLA SA . ? 0.6422 0.5023 0.5446 -0.0305 -0.0218 0.0053 406 CLA A C1A +49525 C C2A A CLA SA . ? 0.7008 0.5543 0.5993 -0.0295 -0.0216 0.0049 406 CLA A C2A +49526 C C2A B CLA SA . ? 0.7011 0.5547 0.5996 -0.0295 -0.0216 0.0049 406 CLA A C2A +49527 C C3A A CLA SA . ? 0.7346 0.5850 0.6322 -0.0324 -0.0218 0.0052 406 CLA A C3A +49528 C C3A B CLA SA . ? 0.7358 0.5862 0.6335 -0.0324 -0.0218 0.0052 406 CLA A C3A +49529 C C4A A CLA SA . ? 0.6634 0.5195 0.5648 -0.0343 -0.0220 0.0058 406 CLA A C4A +49530 C C4A B CLA SA . ? 0.6631 0.5192 0.5646 -0.0343 -0.0220 0.0058 406 CLA A C4A +49531 C CMA A CLA SA . ? 0.6991 0.5465 0.5946 -0.0339 -0.0224 0.0036 406 CLA A CMA +49532 C CMA B CLA SA . ? 0.6997 0.5467 0.5951 -0.0340 -0.0224 0.0037 406 CLA A CMA +49533 C CAA A CLA SA . ? 0.6499 0.5027 0.5482 -0.0269 -0.0210 0.0060 406 CLA A CAA +49534 C CAA B CLA SA . ? 0.6474 0.5002 0.5456 -0.0270 -0.0210 0.0059 406 CLA A CAA +49535 C CBA A CLA SA . ? 0.7141 0.5696 0.6146 -0.0278 -0.0209 0.0075 406 CLA A CBA +49536 C CBA B CLA SA . ? 0.7147 0.5706 0.6154 -0.0276 -0.0209 0.0075 406 CLA A CBA +49537 C CGA A CLA SA . ? 0.7186 0.5723 0.6182 -0.0256 -0.0205 0.0086 406 CLA A CGA +49538 C CGA B CLA SA . ? 0.7188 0.5726 0.6185 -0.0256 -0.0205 0.0086 406 CLA A CGA +49539 O O1A A CLA SA . ? 0.8971 0.7481 0.7947 -0.0230 -0.0204 0.0083 406 CLA A O1A +49540 O O1A B CLA SA . ? 0.9026 0.7534 0.8002 -0.0231 -0.0204 0.0082 406 CLA A O1A +49541 O O2A A CLA SA . ? 0.7950 0.6501 0.6959 -0.0264 -0.0203 0.0101 406 CLA A O2A +49542 O O2A B CLA SA . ? 0.7943 0.6495 0.6953 -0.0265 -0.0203 0.0100 406 CLA A O2A +49543 N NB A CLA SA . ? 0.6506 0.5166 0.5590 -0.0383 -0.0223 0.0072 406 CLA A NB +49544 N NB B CLA SA . ? 0.6512 0.5173 0.5597 -0.0384 -0.0223 0.0071 406 CLA A NB +49545 C C1B A CLA SA . ? 0.6504 0.5107 0.5560 -0.0391 -0.0222 0.0069 406 CLA A C1B +49546 C C1B B CLA SA . ? 0.6503 0.5106 0.5558 -0.0391 -0.0222 0.0069 406 CLA A C1B +49547 C C2B A CLA SA . ? 0.6554 0.5145 0.5615 -0.0421 -0.0220 0.0074 406 CLA A C2B +49548 C C2B B CLA SA . ? 0.6552 0.5141 0.5612 -0.0421 -0.0220 0.0074 406 CLA A C2B +49549 C C3B A CLA SA . ? 0.6894 0.5549 0.5995 -0.0430 -0.0221 0.0079 406 CLA A C3B +49550 C C3B B CLA SA . ? 0.6895 0.5548 0.5995 -0.0431 -0.0221 0.0079 406 CLA A C3B +49551 C C4B A CLA SA . ? 0.6765 0.5457 0.5876 -0.0405 -0.0224 0.0077 406 CLA A C4B +49552 C C4B B CLA SA . ? 0.6783 0.5475 0.5894 -0.0406 -0.0224 0.0077 406 CLA A C4B +49553 C CMB A CLA SA . ? 0.7139 0.5669 0.6172 -0.0439 -0.0216 0.0074 406 CLA A CMB +49554 C CMB B CLA SA . ? 0.7145 0.5672 0.6177 -0.0438 -0.0216 0.0073 406 CLA A CMB +49555 C CAB A CLA SA . ? 0.6688 0.5362 0.5812 -0.0459 -0.0218 0.0085 406 CLA A CAB +49556 C CAB B CLA SA . ? 0.6682 0.5354 0.5805 -0.0460 -0.0218 0.0084 406 CLA A CAB +49557 C CBB A CLA SA . ? 0.8119 0.6834 0.7271 -0.0479 -0.0225 0.0079 406 CLA A CBB +49558 C CBB B CLA SA . ? 0.8141 0.6858 0.7294 -0.0478 -0.0224 0.0079 406 CLA A CBB +49559 N NC A CLA SA . ? 0.6161 0.4934 0.5297 -0.0358 -0.0225 0.0075 406 CLA A NC +49560 N NC B CLA SA . ? 0.6159 0.4933 0.5296 -0.0359 -0.0225 0.0076 406 CLA A NC +49561 C C1C A CLA SA . ? 0.6284 0.5073 0.5439 -0.0381 -0.0226 0.0081 406 CLA A C1C +49562 C C1C B CLA SA . ? 0.6284 0.5073 0.5439 -0.0381 -0.0226 0.0081 406 CLA A C1C +49563 C C2C A CLA SA . ? 0.6260 0.5106 0.5447 -0.0382 -0.0227 0.0087 406 CLA A C2C +49564 C C2C B CLA SA . ? 0.6266 0.5113 0.5453 -0.0382 -0.0227 0.0087 406 CLA A C2C +49565 C C3C A CLA SA . ? 0.6294 0.5157 0.5480 -0.0358 -0.0226 0.0085 406 CLA A C3C +49566 C C3C B CLA SA . ? 0.6293 0.5157 0.5480 -0.0358 -0.0226 0.0085 406 CLA A C3C +49567 C C4C A CLA SA . ? 0.5928 0.4746 0.5084 -0.0345 -0.0224 0.0077 406 CLA A C4C +49568 C C4C B CLA SA . ? 0.5917 0.4736 0.5073 -0.0346 -0.0224 0.0078 406 CLA A C4C +49569 C CMC A CLA SA . ? 0.7024 0.5903 0.6238 -0.0402 -0.0227 0.0093 406 CLA A CMC +49570 C CMC B CLA SA . ? 0.7044 0.5922 0.6258 -0.0403 -0.0227 0.0093 406 CLA A CMC +49571 C CAC A CLA SA . ? 0.5993 0.4906 0.5202 -0.0349 -0.0226 0.0088 406 CLA A CAC +49572 C CAC B CLA SA . ? 0.5987 0.4901 0.5196 -0.0349 -0.0225 0.0089 406 CLA A CAC +49573 C CBC A CLA SA . ? 0.5988 0.4924 0.5205 -0.0363 -0.0234 0.0080 406 CLA A CBC +49574 C CBC B CLA SA . ? 0.5987 0.4923 0.5204 -0.0362 -0.0234 0.0081 406 CLA A CBC +49575 N ND A CLA SA . ? 0.6630 0.5363 0.5728 -0.0314 -0.0220 0.0064 406 CLA A ND +49576 N ND B CLA SA . ? 0.6645 0.5378 0.5743 -0.0314 -0.0220 0.0064 406 CLA A ND +49577 C C1D A CLA SA . ? 0.6296 0.5080 0.5417 -0.0306 -0.0219 0.0066 406 CLA A C1D +49578 C C1D B CLA SA . ? 0.6295 0.5080 0.5417 -0.0306 -0.0219 0.0066 406 CLA A C1D +49579 C C2D A CLA SA . ? 0.6726 0.5516 0.5841 -0.0283 -0.0215 0.0059 406 CLA A C2D +49580 C C2D B CLA SA . ? 0.6738 0.5528 0.5853 -0.0283 -0.0215 0.0059 406 CLA A C2D +49581 C C3D A CLA SA . ? 0.6176 0.4912 0.5259 -0.0275 -0.0214 0.0052 406 CLA A C3D +49582 C C3D B CLA SA . ? 0.6156 0.4893 0.5240 -0.0275 -0.0214 0.0053 406 CLA A C3D +49583 C C4D A CLA SA . ? 0.6600 0.5305 0.5675 -0.0293 -0.0217 0.0056 406 CLA A C4D +49584 C C4D B CLA SA . ? 0.6595 0.5301 0.5670 -0.0293 -0.0217 0.0056 406 CLA A C4D +49585 C CMD A CLA SA . ? 0.6198 0.5031 0.5329 -0.0271 -0.0211 0.0058 406 CLA A CMD +49586 C CMD B CLA SA . ? 0.6199 0.5032 0.5331 -0.0271 -0.0211 0.0058 406 CLA A CMD +49587 C CAD A CLA SA . ? 0.6872 0.5571 0.5928 -0.0254 -0.0210 0.0043 406 CLA A CAD +49588 C CAD B CLA SA . ? 0.6884 0.5584 0.5940 -0.0254 -0.0210 0.0044 406 CLA A CAD +49589 O OBD A CLA SA . ? 0.6239 0.4953 0.5295 -0.0235 -0.0204 0.0037 406 CLA A OBD +49590 O OBD B CLA SA . ? 0.6226 0.4939 0.5282 -0.0234 -0.0204 0.0037 406 CLA A OBD +49591 C CBD A CLA SA . ? 0.7375 0.6015 0.6402 -0.0260 -0.0212 0.0042 406 CLA A CBD +49592 C CBD B CLA SA . ? 0.7397 0.6039 0.6425 -0.0260 -0.0212 0.0042 406 CLA A CBD +49593 C CGD A CLA SA . ? 0.7209 0.5814 0.6208 -0.0265 -0.0215 0.0027 406 CLA A CGD +49594 C CGD B CLA SA . ? 0.7217 0.5823 0.6216 -0.0265 -0.0215 0.0027 406 CLA A CGD +49595 O O1D A CLA SA . ? 0.6829 0.5447 0.5830 -0.0282 -0.0221 0.0021 406 CLA A O1D +49596 O O1D B CLA SA . ? 0.6832 0.5452 0.5834 -0.0282 -0.0221 0.0021 406 CLA A O1D +49597 O O2D A CLA SA . ? 0.7309 0.5860 0.6273 -0.0249 -0.0212 0.0020 406 CLA A O2D +49598 O O2D B CLA SA . ? 0.7310 0.5862 0.6275 -0.0249 -0.0212 0.0020 406 CLA A O2D +49599 C CED A CLA SA . ? 0.7722 0.6236 0.6656 -0.0254 -0.0216 0.0005 406 CLA A CED +49600 C CED B CLA SA . ? 0.7733 0.6247 0.6667 -0.0254 -0.0216 0.0006 406 CLA A CED +49601 C C1 A CLA SA . ? 0.8488 0.7012 0.7480 -0.0243 -0.0201 0.0111 406 CLA A C1 +49602 C C1 B CLA SA . ? 0.8513 0.7038 0.7506 -0.0245 -0.0201 0.0110 406 CLA A C1 +49603 C C2 A CLA SA . ? 0.8164 0.6627 0.7124 -0.0260 -0.0199 0.0116 406 CLA A C2 +49604 C C2 B CLA SA . ? 0.8167 0.6630 0.7128 -0.0262 -0.0199 0.0116 406 CLA A C2 +49605 C C3 A CLA SA . ? 0.9161 0.7563 0.8083 -0.0243 -0.0198 0.0117 406 CLA A C3 +49606 C C3 B CLA SA . ? 0.9173 0.7576 0.8095 -0.0245 -0.0198 0.0117 406 CLA A C3 +49607 C C4 A CLA SA . ? 0.8540 0.6939 0.7453 -0.0206 -0.0201 0.0112 406 CLA A C4 +49608 C C4 B CLA SA . ? 0.8547 0.6945 0.7460 -0.0207 -0.0200 0.0112 406 CLA A C4 +49609 C C5 A CLA SA . ? 0.9276 0.7611 0.8162 -0.0262 -0.0194 0.0123 406 CLA A C5 +49610 C C5 B CLA SA . ? 0.9268 0.7605 0.8155 -0.0264 -0.0194 0.0123 406 CLA A C5 +49611 C C6 A CLA SA . ? 1.0662 0.8946 0.9520 -0.0274 -0.0195 0.0111 406 CLA A C6 +49612 C C6 B CLA SA . ? 1.0669 0.8953 0.9528 -0.0276 -0.0195 0.0111 406 CLA A C6 +49613 C C7 A CLA SA . ? 1.1742 1.0064 1.0626 -0.0299 -0.0198 0.0099 406 CLA A C7 +49614 C C7 B CLA SA . ? 1.1768 1.0090 1.0653 -0.0299 -0.0198 0.0099 406 CLA A C7 +49615 C C8 A CLA SA . ? 1.2757 1.1026 1.1611 -0.0311 -0.0200 0.0085 406 CLA A C8 +49616 C C8 B CLA SA . ? 1.2768 1.1035 1.1621 -0.0311 -0.0200 0.0085 406 CLA A C8 +49617 C C9 A CLA SA . ? 1.1284 0.9595 1.0161 -0.0320 -0.0206 0.0071 406 CLA A C9 +49618 C C9 B CLA SA . ? 1.1288 0.9596 1.0163 -0.0319 -0.0206 0.0071 406 CLA A C9 +49619 C C10 A CLA SA . ? 1.3537 1.1760 1.2373 -0.0345 -0.0196 0.0089 406 CLA A C10 +49620 C C10 B CLA SA . ? 1.3545 1.1767 1.2381 -0.0344 -0.0196 0.0089 406 CLA A C10 +49621 C C11 A CLA SA . ? 1.4942 1.3087 1.3732 -0.0348 -0.0197 0.0080 406 CLA A C11 +49622 C C11 B CLA SA . ? 1.4959 1.3103 1.3748 -0.0348 -0.0197 0.0079 406 CLA A C11 +49623 C C12 A CLA SA . ? 1.4403 1.2501 1.3176 -0.0385 -0.0192 0.0083 406 CLA A C12 +49624 C C12 B CLA SA . ? 1.4401 1.2499 1.3173 -0.0385 -0.0192 0.0083 406 CLA A C12 +49625 C C13 A CLA SA . ? 1.6672 1.4687 1.5395 -0.0390 -0.0192 0.0073 406 CLA A C13 +49626 C C13 B CLA SA . ? 1.6688 1.4702 1.5410 -0.0389 -0.0192 0.0073 406 CLA A C13 +49627 C C14 A CLA SA . ? 1.6017 1.4044 1.4745 -0.0393 -0.0201 0.0053 406 CLA A C14 +49628 C C14 B CLA SA . ? 1.6025 1.4050 1.4752 -0.0393 -0.0201 0.0053 406 CLA A C14 +49629 C C15 A CLA SA . ? 1.6966 1.4934 1.5672 -0.0428 -0.0185 0.0078 406 CLA A C15 +49630 C C15 B CLA SA . ? 1.6994 1.4962 1.5700 -0.0428 -0.0185 0.0078 406 CLA A C15 +49631 C C16 A CLA SA . ? 1.5655 1.3524 1.4301 -0.0422 -0.0180 0.0081 406 CLA A C16 +49632 C C16 B CLA SA . ? 1.5650 1.3520 1.4297 -0.0421 -0.0180 0.0081 406 CLA A C16 +49633 C C17 A CLA SA . ? 1.5290 1.3129 1.3924 -0.0444 -0.0168 0.0097 406 CLA A C17 +49634 C C17 B CLA SA . ? 1.5286 1.3126 1.3921 -0.0443 -0.0168 0.0097 406 CLA A C17 +49635 C C18 A CLA SA . ? 1.6301 1.4036 1.4870 -0.0436 -0.0162 0.0102 406 CLA A C18 +49636 C C18 B CLA SA . ? 1.6321 1.4058 1.4891 -0.0435 -0.0162 0.0103 406 CLA A C18 +49637 C C19 A CLA SA . ? 1.4721 1.2438 1.3278 -0.0437 -0.0151 0.0124 406 CLA A C19 +49638 C C19 B CLA SA . ? 1.4726 1.2444 1.3283 -0.0436 -0.0151 0.0124 406 CLA A C19 +49639 C C20 A CLA SA . ? 1.4951 1.2652 1.3487 -0.0390 -0.0169 0.0097 406 CLA A C20 +49640 C C20 B CLA SA . ? 1.4943 1.2644 1.3479 -0.0389 -0.0169 0.0097 406 CLA A C20 +49641 C CHA A PHO TA . ? 0.6812 0.6020 0.6223 0.0063 -0.0257 0.0077 407 PHO A CHA +49642 C CHA B PHO TA . ? 0.6833 0.6043 0.6245 0.0063 -0.0257 0.0077 407 PHO A CHA +49643 C CHB A PHO TA . ? 0.6560 0.5824 0.6004 -0.0038 -0.0220 0.0085 407 PHO A CHB +49644 C CHB B PHO TA . ? 0.6566 0.5830 0.6010 -0.0037 -0.0221 0.0085 407 PHO A CHB +49645 C CHC A PHO TA . ? 0.5413 0.4514 0.4746 -0.0057 -0.0206 0.0093 407 PHO A CHC +49646 C CHC B PHO TA . ? 0.5379 0.4479 0.4711 -0.0058 -0.0207 0.0094 407 PHO A CHC +49647 C CHD A PHO TA . ? 0.6402 0.5414 0.5681 0.0038 -0.0235 0.0091 407 PHO A CHD +49648 C CHD B PHO TA . ? 0.6409 0.5422 0.5689 0.0038 -0.0235 0.0091 407 PHO A CHD +49649 N NA A PHO TA . ? 0.6878 0.6104 0.6299 0.0008 -0.0237 0.0083 407 PHO A NA +49650 N NA B PHO TA . ? 0.6914 0.6141 0.6336 0.0009 -0.0237 0.0083 407 PHO A NA +49651 C C1A A PHO TA . ? 0.6952 0.6196 0.6386 0.0034 -0.0248 0.0078 407 PHO A C1A +49652 C C1A B PHO TA . ? 0.6973 0.6218 0.6408 0.0034 -0.0248 0.0078 407 PHO A C1A +49653 C C2A A PHO TA . ? 0.6283 0.5585 0.5757 0.0031 -0.0253 0.0073 407 PHO A C2A +49654 C C2A B PHO TA . ? 0.6277 0.5579 0.5751 0.0032 -0.0253 0.0073 407 PHO A C2A +49655 C C3A A PHO TA . ? 0.6631 0.5938 0.6106 -0.0002 -0.0243 0.0079 407 PHO A C3A +49656 C C3A B PHO TA . ? 0.6640 0.5947 0.6115 -0.0002 -0.0243 0.0079 407 PHO A C3A +49657 C C4A A PHO TA . ? 0.6639 0.5902 0.6084 -0.0010 -0.0233 0.0083 407 PHO A C4A +49658 C C4A B PHO TA . ? 0.6641 0.5905 0.6087 -0.0010 -0.0233 0.0083 407 PHO A C4A +49659 C CMA A PHO TA . ? 0.5899 0.5190 0.5356 -0.0013 -0.0252 0.0092 407 PHO A CMA +49660 C CMA B PHO TA . ? 0.5893 0.5186 0.5352 -0.0012 -0.0252 0.0092 407 PHO A CMA +49661 C CAA A PHO TA . ? 0.6051 0.5402 0.5565 0.0045 -0.0248 0.0057 407 PHO A CAA +49662 C CAA B PHO TA . ? 0.6053 0.5404 0.5567 0.0046 -0.0249 0.0057 407 PHO A CAA +49663 C CBA A PHO TA . ? 0.6338 0.5742 0.5890 0.0042 -0.0255 0.0053 407 PHO A CBA +49664 C CBA B PHO TA . ? 0.6319 0.5726 0.5873 0.0041 -0.0255 0.0052 407 PHO A CBA +49665 C CGA A PHO TA . ? 0.6512 0.5972 0.6110 0.0047 -0.0247 0.0036 407 PHO A CGA +49666 C CGA B PHO TA . ? 0.6511 0.5972 0.6109 0.0048 -0.0246 0.0036 407 PHO A CGA +49667 O O1A A PHO TA . ? 0.6850 0.6310 0.6452 0.0054 -0.0234 0.0028 407 PHO A O1A +49668 O O1A B PHO TA . ? 0.6888 0.6346 0.6488 0.0055 -0.0235 0.0028 407 PHO A O1A +49669 O O2A A PHO TA . ? 0.7069 0.6584 0.6707 0.0044 -0.0252 0.0029 407 PHO A O2A +49670 O O2A B PHO TA . ? 0.7083 0.6601 0.6724 0.0044 -0.0251 0.0028 407 PHO A O2A +49671 N NB A PHO TA . ? 0.6400 0.5579 0.5787 -0.0040 -0.0215 0.0090 407 PHO A NB +49672 N NB B PHO TA . ? 0.6404 0.5581 0.5789 -0.0040 -0.0215 0.0090 407 PHO A NB +49673 C C1B A PHO TA . ? 0.6434 0.5658 0.5850 -0.0051 -0.0213 0.0088 407 PHO A C1B +49674 C C1B B PHO TA . ? 0.6441 0.5664 0.5856 -0.0051 -0.0213 0.0089 407 PHO A C1B +49675 C C2B A PHO TA . ? 0.6634 0.5864 0.6051 -0.0077 -0.0203 0.0090 407 PHO A C2B +49676 C C2B B PHO TA . ? 0.6645 0.5875 0.6061 -0.0076 -0.0202 0.0090 407 PHO A C2B +49677 C C3B A PHO TA . ? 0.6371 0.5555 0.5756 -0.0081 -0.0199 0.0092 407 PHO A C3B +49678 C C3B B PHO TA . ? 0.6372 0.5556 0.5757 -0.0081 -0.0199 0.0092 407 PHO A C3B +49679 C C4B A PHO TA . ? 0.6510 0.5664 0.5878 -0.0059 -0.0207 0.0092 407 PHO A C4B +49680 C C4B B PHO TA . ? 0.6522 0.5675 0.5889 -0.0059 -0.0207 0.0092 407 PHO A C4B +49681 C CMB A PHO TA . ? 0.6388 0.5658 0.5829 -0.0093 -0.0197 0.0089 407 PHO A CMB +49682 C CMB B PHO TA . ? 0.6392 0.5662 0.5833 -0.0093 -0.0197 0.0089 407 PHO A CMB +49683 C CAB A PHO TA . ? 0.6284 0.5451 0.5654 -0.0103 -0.0192 0.0093 407 PHO A CAB +49684 C CAB B PHO TA . ? 0.6284 0.5451 0.5654 -0.0103 -0.0192 0.0093 407 PHO A CAB +49685 C CBB A PHO TA . ? 0.6198 0.5389 0.5580 -0.0114 -0.0183 0.0088 407 PHO A CBB +49686 C CBB B PHO TA . ? 0.6222 0.5412 0.5604 -0.0112 -0.0183 0.0087 407 PHO A CBB +49687 N NC A PHO TA . ? 0.6677 0.5748 0.5994 -0.0009 -0.0221 0.0092 407 PHO A NC +49688 N NC B PHO TA . ? 0.6700 0.5772 0.6018 -0.0009 -0.0221 0.0091 407 PHO A NC +49689 C C1C A PHO TA . ? 0.6046 0.5108 0.5355 -0.0035 -0.0213 0.0093 407 PHO A C1C +49690 C C1C B PHO TA . ? 0.6042 0.5105 0.5352 -0.0035 -0.0213 0.0093 407 PHO A C1C +49691 C C2C A PHO TA . ? 0.5813 0.4818 0.5086 -0.0039 -0.0211 0.0095 407 PHO A C2C +49692 C C2C B PHO TA . ? 0.5811 0.4817 0.5084 -0.0039 -0.0211 0.0094 407 PHO A C2C +49693 C C3C A PHO TA . ? 0.5953 0.4927 0.5207 -0.0011 -0.0218 0.0094 407 PHO A C3C +49694 C C3C B PHO TA . ? 0.5950 0.4925 0.5204 -0.0011 -0.0218 0.0094 407 PHO A C3C +49695 C C4C A PHO TA . ? 0.6160 0.5181 0.5445 0.0006 -0.0225 0.0092 407 PHO A C4C +49696 C C4C B PHO TA . ? 0.6158 0.5180 0.5443 0.0006 -0.0224 0.0092 407 PHO A C4C +49697 C CMC A PHO TA . ? 0.6438 0.5424 0.5696 -0.0065 -0.0204 0.0096 407 PHO A CMC +49698 C CMC B PHO TA . ? 0.6454 0.5439 0.5712 -0.0065 -0.0204 0.0095 407 PHO A CMC +49699 C CAC A PHO TA . ? 0.5818 0.4728 0.5031 -0.0002 -0.0220 0.0095 407 PHO A CAC +49700 C CAC B PHO TA . ? 0.5810 0.4721 0.5023 -0.0002 -0.0220 0.0095 407 PHO A CAC +49701 C CBC A PHO TA . ? 0.5805 0.4711 0.5017 0.0025 -0.0217 0.0082 407 PHO A CBC +49702 C CBC B PHO TA . ? 0.5794 0.4703 0.5008 0.0024 -0.0216 0.0082 407 PHO A CBC +49703 N ND A PHO TA . ? 0.6435 0.5550 0.5782 0.0039 -0.0241 0.0087 407 PHO A ND +49704 N ND B PHO TA . ? 0.6438 0.5554 0.5786 0.0039 -0.0241 0.0086 407 PHO A ND +49705 C C1D A PHO TA . ? 0.6584 0.5647 0.5897 0.0054 -0.0243 0.0088 407 PHO A C1D +49706 C C1D B PHO TA . ? 0.6604 0.5668 0.5918 0.0054 -0.0243 0.0087 407 PHO A C1D +49707 C C2D A PHO TA . ? 0.6303 0.5358 0.5611 0.0089 -0.0255 0.0085 407 PHO A C2D +49708 C C2D B PHO TA . ? 0.6307 0.5364 0.5616 0.0090 -0.0255 0.0084 407 PHO A C2D +49709 C C3D A PHO TA . ? 0.6664 0.5783 0.6014 0.0092 -0.0261 0.0080 407 PHO A C3D +49710 C C3D B PHO TA . ? 0.6679 0.5799 0.6030 0.0092 -0.0261 0.0080 407 PHO A C3D +49711 C C4D A PHO TA . ? 0.6044 0.5191 0.5413 0.0062 -0.0251 0.0082 407 PHO A C4D +49712 C C4D B PHO TA . ? 0.6019 0.5168 0.5390 0.0062 -0.0251 0.0081 407 PHO A C4D +49713 C CMD A PHO TA . ? 0.6461 0.5463 0.5733 0.0117 -0.0262 0.0085 407 PHO A CMD +49714 C CMD B PHO TA . ? 0.6474 0.5479 0.5748 0.0117 -0.0261 0.0084 407 PHO A CMD +49715 C CAD A PHO TA . ? 0.6640 0.5801 0.6018 0.0115 -0.0274 0.0075 407 PHO A CAD +49716 C CAD B PHO TA . ? 0.6658 0.5822 0.6038 0.0116 -0.0274 0.0074 407 PHO A CAD +49717 O OBD A PHO TA . ? 0.6413 0.5560 0.5781 0.0147 -0.0286 0.0072 407 PHO A OBD +49718 O OBD B PHO TA . ? 0.6382 0.5534 0.5754 0.0148 -0.0285 0.0070 407 PHO A OBD +49719 C CBD A PHO TA . ? 0.6142 0.5361 0.5560 0.0096 -0.0271 0.0072 407 PHO A CBD +49720 C CBD B PHO TA . ? 0.6135 0.5356 0.5555 0.0096 -0.0271 0.0071 407 PHO A CBD +49721 C CGD A PHO TA . ? 0.6076 0.5307 0.5496 0.0097 -0.0286 0.0079 407 PHO A CGD +49722 C CGD B PHO TA . ? 0.6064 0.5294 0.5484 0.0098 -0.0286 0.0079 407 PHO A CGD +49723 O O1D A PHO TA . ? 0.6502 0.5774 0.5950 0.0114 -0.0296 0.0071 407 PHO A O1D +49724 O O1D B PHO TA . ? 0.6506 0.5780 0.5956 0.0113 -0.0296 0.0071 407 PHO A O1D +49725 O O2D A PHO TA . ? 0.6555 0.5749 0.5942 0.0078 -0.0288 0.0095 407 PHO A O2D +49726 O O2D B PHO TA . ? 0.6580 0.5770 0.5965 0.0080 -0.0288 0.0095 407 PHO A O2D +49727 C CED A PHO TA . ? 0.5786 0.4984 0.5168 0.0083 -0.0302 0.0102 407 PHO A CED +49728 C CED B PHO TA . ? 0.5772 0.4971 0.5155 0.0083 -0.0302 0.0101 407 PHO A CED +49729 C C1 A PHO TA . ? 0.7543 0.7109 0.7224 0.0038 -0.0238 0.0015 407 PHO A C1 +49730 C C1 B PHO TA . ? 0.7558 0.7127 0.7242 0.0039 -0.0238 0.0014 407 PHO A C1 +49731 C C2 A PHO TA . ? 0.7555 0.7134 0.7243 0.0005 -0.0225 0.0018 407 PHO A C2 +49732 C C2 B PHO TA . ? 0.7569 0.7149 0.7259 0.0005 -0.0224 0.0017 407 PHO A C2 +49733 C C3 A PHO TA . ? 0.7389 0.6985 0.7087 -0.0010 -0.0233 0.0021 407 PHO A C3 +49734 C C3 B PHO TA . ? 0.7382 0.6981 0.7082 -0.0009 -0.0232 0.0021 407 PHO A C3 +49735 C C4 A PHO TA . ? 0.7828 0.7431 0.7528 0.0007 -0.0256 0.0023 407 PHO A C4 +49736 C C4 B PHO TA . ? 0.7853 0.7460 0.7557 0.0007 -0.0255 0.0021 407 PHO A C4 +49737 C C5 A PHO TA . ? 0.6872 0.6477 0.6574 -0.0042 -0.0220 0.0025 407 PHO A C5 +49738 C C5 B PHO TA . ? 0.6866 0.6471 0.6569 -0.0041 -0.0219 0.0024 407 PHO A C5 +49739 C C6 A PHO TA . ? 0.7066 0.6663 0.6764 -0.0053 -0.0198 0.0022 407 PHO A C6 +49740 C C6 B PHO TA . ? 0.7067 0.6666 0.6766 -0.0053 -0.0197 0.0021 407 PHO A C6 +49741 C C7 A PHO TA . ? 0.6684 0.6292 0.6387 -0.0083 -0.0185 0.0025 407 PHO A C7 +49742 C C7 B PHO TA . ? 0.6689 0.6294 0.6389 -0.0083 -0.0185 0.0025 407 PHO A C7 +49743 C C8 A PHO TA . ? 0.7001 0.6608 0.6704 -0.0094 -0.0163 0.0020 407 PHO A C8 +49744 C C8 B PHO TA . ? 0.7017 0.6624 0.6719 -0.0094 -0.0162 0.0020 407 PHO A C8 +49745 C C9 A PHO TA . ? 0.6880 0.6538 0.6626 -0.0091 -0.0151 0.0004 407 PHO A C9 +49746 C C9 B PHO TA . ? 0.6897 0.6557 0.6645 -0.0091 -0.0152 0.0004 407 PHO A C9 +49747 C C10 A PHO TA . ? 0.6115 0.5704 0.5797 -0.0122 -0.0154 0.0029 407 PHO A C10 +49748 C C10 B PHO TA . ? 0.6112 0.5701 0.5794 -0.0122 -0.0153 0.0029 407 PHO A C10 +49749 C C11 A PHO TA . ? 0.6427 0.6017 0.6108 -0.0135 -0.0131 0.0025 407 PHO A C11 +49750 C C11 B PHO TA . ? 0.6429 0.6021 0.6112 -0.0135 -0.0130 0.0024 407 PHO A C11 +49751 C C12 A PHO TA . ? 0.6788 0.6352 0.6448 -0.0124 -0.0122 0.0023 407 PHO A C12 +49752 C C12 B PHO TA . ? 0.6796 0.6362 0.6458 -0.0123 -0.0122 0.0022 407 PHO A C12 +49753 C C13 A PHO TA . ? 0.6674 0.6187 0.6292 -0.0122 -0.0132 0.0035 407 PHO A C13 +49754 C C13 B PHO TA . ? 0.6696 0.6210 0.6315 -0.0122 -0.0131 0.0034 407 PHO A C13 +49755 C C14 A PHO TA . ? 0.6174 0.5662 0.5774 -0.0106 -0.0127 0.0031 407 PHO A C14 +49756 C C14 B PHO TA . ? 0.6168 0.5658 0.5770 -0.0105 -0.0128 0.0030 407 PHO A C14 +49757 C C15 A PHO TA . ? 0.6332 0.5824 0.5926 -0.0146 -0.0125 0.0044 407 PHO A C15 +49758 C C15 B PHO TA . ? 0.6342 0.5834 0.5936 -0.0145 -0.0125 0.0043 407 PHO A C15 +49759 C C16 A PHO TA . ? 0.6315 0.5761 0.5871 -0.0146 -0.0134 0.0054 407 PHO A C16 +49760 C C16 B PHO TA . ? 0.6324 0.5772 0.5882 -0.0146 -0.0135 0.0054 407 PHO A C16 +49761 C C17 A PHO TA . ? 0.6035 0.5467 0.5574 -0.0168 -0.0133 0.0064 407 PHO A C17 +49762 C C17 B PHO TA . ? 0.6046 0.5479 0.5586 -0.0167 -0.0134 0.0064 407 PHO A C17 +49763 C C18 A PHO TA . ? 0.6613 0.6005 0.6119 -0.0168 -0.0143 0.0073 407 PHO A C18 +49764 C C18 B PHO TA . ? 0.6624 0.6017 0.6132 -0.0169 -0.0143 0.0073 407 PHO A C18 +49765 C C19 A PHO TA . ? 0.6199 0.5565 0.5684 -0.0164 -0.0135 0.0069 407 PHO A C19 +49766 C C19 B PHO TA . ? 0.6213 0.5580 0.5699 -0.0164 -0.0136 0.0069 407 PHO A C19 +49767 C C20 A PHO TA . ? 0.5996 0.5378 0.5489 -0.0186 -0.0145 0.0083 407 PHO A C20 +49768 C C20 B PHO TA . ? 0.6001 0.5386 0.5495 -0.0188 -0.0144 0.0082 407 PHO A C20 +49769 MG MG . CLA UA . ? 0.6438 0.6592 0.6620 -0.0094 -0.0012 -0.0145 408 CLA A MG +49770 C CHA . CLA UA . ? 0.5446 0.5544 0.5569 -0.0139 0.0067 -0.0138 408 CLA A CHA +49771 C CHB . CLA UA . ? 0.5989 0.6115 0.6145 -0.0015 -0.0011 -0.0154 408 CLA A CHB +49772 C CHC . CLA UA . ? 0.6843 0.7077 0.7099 -0.0045 -0.0086 -0.0161 408 CLA A CHC +49773 C CHD . CLA UA . ? 0.6134 0.6333 0.6359 -0.0180 -0.0003 -0.0146 408 CLA A CHD +49774 N NA . CLA UA . ? 0.6756 0.6882 0.6909 -0.0080 0.0022 -0.0147 408 CLA A NA +49775 C C1A . CLA UA . ? 0.7069 0.7169 0.7195 -0.0100 0.0050 -0.0143 408 CLA A C1A +49776 C C2A . CLA UA . ? 0.6339 0.6407 0.6433 -0.0081 0.0066 -0.0143 408 CLA A C2A +49777 C C3A . CLA UA . ? 0.7664 0.7736 0.7765 -0.0043 0.0040 -0.0147 408 CLA A C3A +49778 C C4A . CLA UA . ? 0.7068 0.7180 0.7209 -0.0046 0.0015 -0.0149 408 CLA A C4A +49779 C CMA . CLA UA . ? 0.6327 0.6322 0.6361 -0.0037 0.0023 -0.0128 408 CLA A CMA +49780 C CAA . CLA UA . ? 0.5815 0.5934 0.5951 -0.0080 0.0098 -0.0161 408 CLA A CAA +49781 C CBA . CLA UA . ? 0.6790 0.6991 0.7002 -0.0069 0.0090 -0.0179 408 CLA A CBA +49782 C CGA . CLA UA . ? 0.7786 0.8041 0.8043 -0.0065 0.0121 -0.0198 408 CLA A CGA +49783 O O1A . CLA UA . ? 0.8368 0.8610 0.8608 -0.0084 0.0153 -0.0197 408 CLA A O1A +49784 O O2A . CLA UA . ? 0.8446 0.8770 0.8766 -0.0037 0.0114 -0.0217 408 CLA A O2A +49785 N NB . CLA UA . ? 0.6339 0.6516 0.6542 -0.0039 -0.0043 -0.0155 408 CLA A NB +49786 C C1B . CLA UA . ? 0.6422 0.6584 0.6612 -0.0010 -0.0039 -0.0157 408 CLA A C1B +49787 C C2B . CLA UA . ? 0.6784 0.6968 0.6995 0.0029 -0.0065 -0.0165 408 CLA A C2B +49788 C C3B . CLA UA . ? 0.5878 0.6097 0.6120 0.0019 -0.0088 -0.0167 408 CLA A C3B +49789 C C4B . CLA UA . ? 0.6437 0.6647 0.6671 -0.0024 -0.0071 -0.0160 408 CLA A C4B +49790 C CMB . CLA UA . ? 0.6473 0.6646 0.6674 0.0068 -0.0067 -0.0170 408 CLA A CMB +49791 C CAB . CLA UA . ? 0.6506 0.6759 0.6777 0.0045 -0.0121 -0.0175 408 CLA A CAB +49792 C CBB . CLA UA . ? 0.6219 0.6440 0.6463 0.0081 -0.0143 -0.0170 408 CLA A CBB +49793 N NC . CLA UA . ? 0.6204 0.6414 0.6438 -0.0110 -0.0038 -0.0152 408 CLA A NC +49794 C C1C . CLA UA . ? 0.5609 0.5848 0.5870 -0.0087 -0.0068 -0.0159 408 CLA A C1C +49795 C C2C . CLA UA . ? 0.6667 0.6940 0.6959 -0.0105 -0.0084 -0.0163 408 CLA A C2C +49796 C C3C . CLA UA . ? 0.6405 0.6666 0.6687 -0.0145 -0.0059 -0.0159 408 CLA A C3C +49797 C C4C . CLA UA . ? 0.5378 0.5600 0.5624 -0.0144 -0.0033 -0.0152 408 CLA A C4C +49798 C CMC . CLA UA . ? 0.6756 0.7063 0.7077 -0.0086 -0.0119 -0.0171 408 CLA A CMC +49799 C CAC . CLA UA . ? 0.6708 0.6986 0.7008 -0.0179 -0.0060 -0.0161 408 CLA A CAC +49800 C CBC . CLA UA . ? 0.7235 0.7586 0.7603 -0.0192 -0.0040 -0.0182 408 CLA A CBC +49801 N ND . CLA UA . ? 0.6087 0.6245 0.6271 -0.0147 0.0022 -0.0143 408 CLA A ND +49802 C C1D . CLA UA . ? 0.6191 0.6358 0.6385 -0.0180 0.0024 -0.0142 408 CLA A C1D +49803 C C2D . CLA UA . ? 0.5934 0.6074 0.6102 -0.0212 0.0055 -0.0135 408 CLA A C2D +49804 C C3D . CLA UA . ? 0.5679 0.5792 0.5818 -0.0194 0.0071 -0.0134 408 CLA A C3D +49805 C C4D . CLA UA . ? 0.6198 0.6325 0.6350 -0.0158 0.0052 -0.0139 408 CLA A C4D +49806 C CMD . CLA UA . ? 0.5559 0.5691 0.5721 -0.0250 0.0068 -0.0131 408 CLA A CMD +49807 C CAD . CLA UA . ? 0.6036 0.6112 0.6136 -0.0199 0.0100 -0.0129 408 CLA A CAD +49808 O OBD . CLA UA . ? 0.6907 0.6960 0.6983 -0.0227 0.0123 -0.0123 408 CLA A OBD +49809 C CBD . CLA UA . ? 0.6114 0.6181 0.6204 -0.0165 0.0098 -0.0132 408 CLA A CBD +49810 C CGD . CLA UA . ? 0.6764 0.6754 0.6782 -0.0161 0.0093 -0.0115 408 CLA A CGD +49811 O O1D . CLA UA . ? 0.7019 0.6977 0.7011 -0.0150 0.0066 -0.0104 408 CLA A O1D +49812 O O2D . CLA UA . ? 0.6905 0.6860 0.6884 -0.0171 0.0121 -0.0112 408 CLA A O2D +49813 C CED . CLA UA . ? 0.6292 0.6178 0.6205 -0.0169 0.0115 -0.0096 408 CLA A CED +49814 C C1 . CLA UA . ? 0.9318 0.9691 0.9679 -0.0029 0.0144 -0.0235 408 CLA A C1 +49815 C C2 . CLA UA . ? 1.0234 1.0613 1.0600 0.0018 0.0133 -0.0244 408 CLA A C2 +49816 C C3 . CLA UA . ? 1.1558 1.2000 1.1983 0.0043 0.0114 -0.0259 408 CLA A C3 +49817 C C4 . CLA UA . ? 1.2081 1.2590 1.2569 0.0023 0.0103 -0.0268 408 CLA A C4 +49818 C C5 . CLA UA . ? 1.3510 1.3956 1.3938 0.0092 0.0102 -0.0268 408 CLA A C5 +49819 C C6 . CLA UA . ? 1.4834 1.5368 1.5342 0.0116 0.0087 -0.0288 408 CLA A C6 +49820 C C7 . CLA UA . ? 1.4119 1.4634 1.4613 0.0161 0.0050 -0.0287 408 CLA A C7 +49821 C C8 . CLA UA . ? 1.4805 1.5362 1.5334 0.0206 0.0054 -0.0306 408 CLA A C8 +49822 C C9 . CLA UA . ? 1.1626 1.2291 1.2250 0.0210 0.0054 -0.0330 408 CLA A C9 +49823 C C10 . CLA UA . ? 1.6189 1.6721 1.6691 0.0209 0.0091 -0.0308 408 CLA A C10 +49824 C C11 . CLA UA . ? 1.6649 1.7076 1.7059 0.0203 0.0092 -0.0286 408 CLA A C11 +49825 C C12 . CLA UA . ? 1.5983 1.6351 1.6345 0.0238 0.0058 -0.0276 408 CLA A C12 +49826 C C13 . CLA UA . ? 1.5762 1.6039 1.6043 0.0239 0.0070 -0.0262 408 CLA A C13 +49827 C C14 . CLA UA . ? 1.3816 1.4062 1.4066 0.0192 0.0092 -0.0250 408 CLA A C14 +49828 C C15 . CLA UA . ? 1.6146 1.6351 1.6369 0.0260 0.0036 -0.0247 408 CLA A C15 +49829 C C16 . CLA UA . ? 1.8723 1.8960 1.8978 0.0294 0.0001 -0.0253 408 CLA A C16 +49830 C C17 . CLA UA . ? 1.8035 1.8190 1.8224 0.0318 -0.0026 -0.0238 408 CLA A C17 +49831 C C18 . CLA UA . ? 1.4699 1.4870 1.4905 0.0345 -0.0065 -0.0239 408 CLA A C18 +49832 C C19 . CLA UA . ? 1.4779 1.5044 1.5065 0.0369 -0.0067 -0.0262 408 CLA A C19 +49833 C C20 . CLA UA . ? 1.2889 1.2984 1.3034 0.0379 -0.0086 -0.0229 408 CLA A C20 +49834 C C1 . BCR VA . ? 0.8857 0.9155 0.9138 0.0157 -0.0349 -0.0176 409 BCR A C1 +49835 C C2 . BCR VA . ? 0.8306 0.8645 0.8620 0.0201 -0.0367 -0.0192 409 BCR A C2 +49836 C C3 . BCR VA . ? 0.7240 0.7656 0.7626 0.0199 -0.0346 -0.0214 409 BCR A C3 +49837 C C4 . BCR VA . ? 0.7618 0.8099 0.8062 0.0164 -0.0341 -0.0228 409 BCR A C4 +49838 C C5 . BCR VA . ? 0.8001 0.8438 0.8408 0.0121 -0.0330 -0.0212 409 BCR A C5 +49839 C C6 . BCR VA . ? 0.7524 0.7879 0.7858 0.0119 -0.0333 -0.0189 409 BCR A C6 +49840 C C7 . BCR VA . ? 0.8460 0.8776 0.8761 0.0078 -0.0322 -0.0174 409 BCR A C7 +49841 C C8 . BCR VA . ? 0.7417 0.7725 0.7717 0.0047 -0.0289 -0.0170 409 BCR A C8 +49842 C C9 . BCR VA . ? 0.7619 0.7886 0.7885 0.0008 -0.0277 -0.0156 409 BCR A C9 +49843 C C10 . BCR VA . ? 0.6161 0.6422 0.6428 -0.0018 -0.0244 -0.0154 409 BCR A C10 +49844 C C11 . BCR VA . ? 0.7173 0.7394 0.7406 -0.0055 -0.0228 -0.0140 409 BCR A C11 +49845 C C33 . BCR VA . ? 0.6914 0.7405 0.7372 0.0080 -0.0313 -0.0224 409 BCR A C33 +49846 C C31 . BCR VA . ? 0.7917 0.8166 0.8149 0.0156 -0.0375 -0.0160 409 BCR A C31 +49847 C C32 . BCR VA . ? 0.6462 0.6701 0.6699 0.0153 -0.0322 -0.0162 409 BCR A C32 +49848 C C34 . BCR VA . ? 0.6929 0.7161 0.7159 0.0002 -0.0300 -0.0144 409 BCR A C34 +49849 C C12 . BCR VA . ? 0.6766 0.6981 0.6998 -0.0077 -0.0196 -0.0139 409 BCR A C12 +49850 C C13 . BCR VA . ? 0.7700 0.7873 0.7896 -0.0112 -0.0181 -0.0125 409 BCR A C13 +49851 C C14 . BCR VA . ? 0.6262 0.6415 0.6444 -0.0128 -0.0150 -0.0121 409 BCR A C14 +49852 C C15 . BCR VA . ? 0.7237 0.7347 0.7381 -0.0160 -0.0135 -0.0108 409 BCR A C15 +49853 C C16 . BCR VA . ? 0.7141 0.7241 0.7278 -0.0177 -0.0104 -0.0107 409 BCR A C16 +49854 C C17 . BCR VA . ? 0.5846 0.5899 0.5941 -0.0206 -0.0090 -0.0093 409 BCR A C17 +49855 C C18 . BCR VA . ? 0.6916 0.6950 0.6993 -0.0221 -0.0061 -0.0090 409 BCR A C18 +49856 C C19 . BCR VA . ? 0.5915 0.5901 0.5949 -0.0247 -0.0051 -0.0076 409 BCR A C19 +49857 C C20 . BCR VA . ? 0.6644 0.6611 0.6660 -0.0266 -0.0023 -0.0073 409 BCR A C20 +49858 C C21 . BCR VA . ? 0.6110 0.6028 0.6080 -0.0288 -0.0018 -0.0059 409 BCR A C21 +49859 C C22 . BCR VA . ? 0.7096 0.6992 0.7045 -0.0310 0.0008 -0.0055 409 BCR A C22 +49860 C C23 . BCR VA . ? 0.5251 0.5101 0.5157 -0.0326 0.0008 -0.0042 409 BCR A C23 +49861 C C24 . BCR VA . ? 0.5959 0.5786 0.5842 -0.0348 0.0033 -0.0038 409 BCR A C24 +49862 C C25 . BCR VA . ? 0.5465 0.5240 0.5299 -0.0364 0.0033 -0.0024 409 BCR A C25 +49863 C C26 . BCR VA . ? 0.6498 0.6225 0.6284 -0.0353 0.0024 -0.0010 409 BCR A C26 +49864 C C27 . BCR VA . ? 0.6312 0.5989 0.6050 -0.0366 0.0022 0.0004 409 BCR A C27 +49865 C C28 . BCR VA . ? 0.6186 0.5871 0.5936 -0.0389 0.0024 0.0002 409 BCR A C28 +49866 C C29 . BCR VA . ? 0.6422 0.6143 0.6208 -0.0406 0.0048 -0.0012 409 BCR A C29 +49867 C C30 . BCR VA . ? 0.6160 0.5939 0.6002 -0.0393 0.0043 -0.0027 409 BCR A C30 +49868 C C35 . BCR VA . ? 0.6484 0.6635 0.6658 -0.0127 -0.0199 -0.0117 409 BCR A C35 +49869 C C36 . BCR VA . ? 0.5900 0.5962 0.6003 -0.0211 -0.0039 -0.0101 409 BCR A C36 +49870 C C37 . BCR VA . ? 0.6059 0.5981 0.6031 -0.0314 0.0037 -0.0066 409 BCR A C37 +49871 C C38 . BCR VA . ? 0.5636 0.5357 0.5414 -0.0326 0.0015 -0.0008 409 BCR A C38 +49872 C C39 . BCR VA . ? 0.6039 0.5851 0.5917 -0.0394 0.0020 -0.0033 409 BCR A C39 +49873 C C40 . BCR VA . ? 0.6619 0.6427 0.6489 -0.0407 0.0074 -0.0039 409 BCR A C40 +49874 O O6 A SQD WA . ? 1.1006 0.8701 0.9398 0.0273 -0.0266 0.0144 410 SQD A O6 +49875 O O6 B SQD WA . ? 1.1021 0.8714 0.9412 0.0273 -0.0266 0.0143 410 SQD A O6 +49876 C C44 A SQD WA . ? 0.9832 0.7606 0.8273 0.0310 -0.0276 0.0134 410 SQD A C44 +49877 C C44 B SQD WA . ? 0.9823 0.7598 0.8265 0.0309 -0.0275 0.0133 410 SQD A C44 +49878 C C45 A SQD WA . ? 1.0088 0.7960 0.8600 0.0280 -0.0270 0.0127 410 SQD A C45 +49879 C C45 B SQD WA . ? 1.0076 0.7948 0.8589 0.0278 -0.0269 0.0126 410 SQD A C45 +49880 C C46 A SQD WA . ? 0.9838 0.7768 0.8392 0.0307 -0.0270 0.0107 410 SQD A C46 +49881 C C46 B SQD WA . ? 0.9831 0.7762 0.8386 0.0305 -0.0270 0.0107 410 SQD A C46 +49882 O O47 A SQD WA . ? 1.0656 0.8497 0.9156 0.0233 -0.0257 0.0128 410 SQD A O47 +49883 O O47 B SQD WA . ? 1.0661 0.8501 0.9160 0.0232 -0.0256 0.0127 410 SQD A O47 +49884 C C7 A SQD WA . ? 1.1305 0.9214 0.9853 0.0192 -0.0251 0.0131 410 SQD A C7 +49885 C C7 B SQD WA . ? 1.1314 0.9218 0.9859 0.0191 -0.0251 0.0131 410 SQD A C7 +49886 O O49 A SQD WA . ? 1.1524 0.9447 1.0077 0.0180 -0.0253 0.0145 410 SQD A O49 +49887 O O49 B SQD WA . ? 1.1586 0.9499 1.0133 0.0178 -0.0253 0.0145 410 SQD A O49 +49888 C C8 A SQD WA . ? 1.2328 1.0286 1.0917 0.0167 -0.0243 0.0117 410 SQD A C8 +49889 C C8 B SQD WA . ? 1.2341 1.0296 1.0928 0.0165 -0.0242 0.0118 410 SQD A C8 +49890 C C9 A SQD WA . ? 1.1398 0.9392 1.0014 0.0119 -0.0236 0.0125 410 SQD A C9 +49891 C C9 B SQD WA . ? 1.1397 0.9381 1.0007 0.0115 -0.0236 0.0126 410 SQD A C9 +49892 C C10 A SQD WA . ? 1.3254 1.1238 1.1872 0.0084 -0.0227 0.0116 410 SQD A C10 +49893 C C10 B SQD WA . ? 1.3286 1.1267 1.1902 0.0082 -0.0227 0.0116 410 SQD A C10 +49894 C C11 A SQD WA . ? 1.3553 1.1574 1.2196 0.0102 -0.0226 0.0097 410 SQD A C11 +49895 C C11 B SQD WA . ? 1.3560 1.1579 1.2202 0.0103 -0.0226 0.0097 410 SQD A C11 +49896 C C12 A SQD WA . ? 1.2907 1.1030 1.1614 0.0108 -0.0228 0.0094 410 SQD A C12 +49897 C C12 B SQD WA . ? 1.2917 1.1038 1.1623 0.0107 -0.0227 0.0093 410 SQD A C12 +49898 C C13 A SQD WA . ? 1.3450 1.1606 1.2178 0.0131 -0.0225 0.0076 410 SQD A C13 +49899 C C13 B SQD WA . ? 1.3461 1.1617 1.2189 0.0130 -0.0225 0.0075 410 SQD A C13 +49900 C C14 A SQD WA . ? 1.2585 1.0839 1.1377 0.0125 -0.0224 0.0071 410 SQD A C14 +49901 C C14 B SQD WA . ? 1.2591 1.0844 1.1382 0.0126 -0.0224 0.0071 410 SQD A C14 +49902 C C15 A SQD WA . ? 1.2243 1.0522 1.1054 0.0080 -0.0220 0.0080 410 SQD A C15 +49903 C C15 B SQD WA . ? 1.2265 1.0547 1.1077 0.0081 -0.0220 0.0079 410 SQD A C15 +49904 C C16 A SQD WA . ? 1.2095 1.0363 1.0901 0.0051 -0.0213 0.0071 410 SQD A C16 +49905 C C16 B SQD WA . ? 1.2091 1.0360 1.0897 0.0052 -0.0213 0.0070 410 SQD A C16 +49906 C C17 A SQD WA . ? 1.1039 0.9369 0.9883 0.0062 -0.0208 0.0056 410 SQD A C17 +49907 C C17 B SQD WA . ? 1.1046 0.9374 0.9888 0.0063 -0.0208 0.0056 410 SQD A C17 +49908 C C18 A SQD WA . ? 1.0814 0.9200 0.9694 0.0028 -0.0205 0.0057 410 SQD A C18 +49909 C C18 B SQD WA . ? 1.0832 0.9219 0.9713 0.0029 -0.0204 0.0056 410 SQD A C18 +49910 C C19 A SQD WA . ? 1.1807 1.0159 1.0666 -0.0001 -0.0201 0.0051 410 SQD A C19 +49911 C C19 B SQD WA . ? 1.1826 1.0179 1.0685 -0.0001 -0.0200 0.0050 410 SQD A C19 +49912 C C20 A SQD WA . ? 1.0504 0.8919 0.9401 -0.0025 -0.0197 0.0047 410 SQD A C20 +49913 C C20 B SQD WA . ? 1.0524 0.8940 0.9422 -0.0025 -0.0197 0.0046 410 SQD A C20 +49914 C C21 A SQD WA . ? 0.8645 0.7108 0.7575 -0.0039 -0.0200 0.0061 410 SQD A C21 +49915 C C21 B SQD WA . ? 0.8669 0.7132 0.7599 -0.0041 -0.0200 0.0060 410 SQD A C21 +49916 C C22 A SQD WA . ? 0.8111 0.6621 0.7070 -0.0068 -0.0197 0.0059 410 SQD A C22 +49917 C C22 B SQD WA . ? 0.8119 0.6629 0.7077 -0.0069 -0.0197 0.0058 410 SQD A C22 +49918 O O48 A SQD WA . ? 1.0978 0.8847 0.9496 0.0310 -0.0264 0.0097 410 SQD A O48 +49919 O O48 B SQD WA . ? 1.0987 0.8856 0.9505 0.0309 -0.0263 0.0097 410 SQD A O48 +49920 C C23 A SQD WA . ? 1.1577 0.9489 1.0130 0.0292 -0.0254 0.0082 410 SQD A C23 +49921 C C23 B SQD WA . ? 1.1594 0.9504 1.0145 0.0292 -0.0253 0.0081 410 SQD A C23 +49922 O O10 A SQD WA . ? 1.1577 0.9576 1.0189 0.0280 -0.0252 0.0078 410 SQD A O10 +49923 O O10 B SQD WA . ? 1.1609 0.9606 1.0219 0.0280 -0.0251 0.0077 410 SQD A O10 +49924 C C24 A SQD WA . ? 1.2061 0.9909 1.0576 0.0290 -0.0246 0.0070 410 SQD A C24 +49925 C C24 B SQD WA . ? 1.2065 0.9907 1.0576 0.0288 -0.0246 0.0070 410 SQD A C24 +49926 C C25 A SQD WA . ? 1.3220 1.1131 1.1780 0.0270 -0.0237 0.0055 410 SQD A C25 +49927 C C25 B SQD WA . ? 1.3227 1.1133 1.1784 0.0270 -0.0236 0.0055 410 SQD A C25 +49928 C C26 A SQD WA . ? 1.4023 1.1871 1.2545 0.0253 -0.0228 0.0045 410 SQD A C26 +49929 C C26 B SQD WA . ? 1.4031 1.1874 1.2550 0.0254 -0.0228 0.0045 410 SQD A C26 +49930 C C27 A SQD WA . ? 1.4565 1.2479 1.3132 0.0239 -0.0220 0.0030 410 SQD A C27 +49931 C C27 B SQD WA . ? 1.4564 1.2475 1.3128 0.0238 -0.0220 0.0030 410 SQD A C27 +49932 C C28 A SQD WA . ? 1.5284 1.3141 1.3815 0.0219 -0.0213 0.0019 410 SQD A C28 +49933 C C28 B SQD WA . ? 1.5290 1.3146 1.3820 0.0219 -0.0213 0.0019 410 SQD A C28 +49934 C C29 A SQD WA . ? 1.6344 1.4270 1.4918 0.0204 -0.0205 0.0006 410 SQD A C29 +49935 C C29 B SQD WA . ? 1.6362 1.4287 1.4936 0.0205 -0.0205 0.0006 410 SQD A C29 +49936 C C30 A SQD WA . ? 1.5968 1.3842 1.4507 0.0190 -0.0199 -0.0008 410 SQD A C30 +49937 C C30 B SQD WA . ? 1.5977 1.3849 1.4516 0.0190 -0.0199 -0.0008 410 SQD A C30 +49938 C C31 A SQD WA . ? 1.5835 1.3776 1.4414 0.0188 -0.0191 -0.0022 410 SQD A C31 +49939 C C31 B SQD WA . ? 1.5842 1.3781 1.4419 0.0188 -0.0191 -0.0022 410 SQD A C31 +49940 C C32 A SQD WA . ? 1.6204 1.4095 1.4746 0.0173 -0.0186 -0.0036 410 SQD A C32 +49941 C C32 B SQD WA . ? 1.6215 1.4102 1.4755 0.0173 -0.0186 -0.0036 410 SQD A C32 +49942 C C33 A SQD WA . ? 1.5477 1.3290 1.3966 0.0208 -0.0185 -0.0046 410 SQD A C33 +49943 C C33 B SQD WA . ? 1.5487 1.3295 1.3974 0.0208 -0.0186 -0.0045 410 SQD A C33 +49944 C C34 A SQD WA . ? 1.5246 1.2999 1.3693 0.0189 -0.0181 -0.0059 410 SQD A C34 +49945 C C34 B SQD WA . ? 1.5252 1.3003 1.3697 0.0189 -0.0181 -0.0059 410 SQD A C34 +49946 C C35 A SQD WA . ? 1.4262 1.1931 1.2652 0.0223 -0.0181 -0.0069 410 SQD A C35 +49947 C C35 B SQD WA . ? 1.4271 1.1939 1.2660 0.0224 -0.0181 -0.0069 410 SQD A C35 +49948 C C36 A SQD WA . ? 1.4930 1.2541 1.3277 0.0203 -0.0177 -0.0084 410 SQD A C36 +49949 C C36 B SQD WA . ? 1.4937 1.2548 1.3284 0.0205 -0.0177 -0.0084 410 SQD A C36 +49950 C C37 A SQD WA . ? 1.4733 1.2268 1.3039 0.0163 -0.0183 -0.0077 410 SQD A C37 +49951 C C37 B SQD WA . ? 1.4744 1.2280 1.3051 0.0165 -0.0183 -0.0077 410 SQD A C37 +49952 C C38 A SQD WA . ? 1.3584 1.1068 1.1852 0.0141 -0.0181 -0.0093 410 SQD A C38 +49953 C C38 B SQD WA . ? 1.3587 1.1069 1.1854 0.0143 -0.0181 -0.0093 410 SQD A C38 +49954 C C1 A SQD WA . ? 1.0883 0.8504 0.9217 0.0292 -0.0272 0.0159 410 SQD A C1 +49955 C C1 B SQD WA . ? 1.0878 0.8500 0.9212 0.0293 -0.0272 0.0158 410 SQD A C1 +49956 C C2 A SQD WA . ? 1.1261 0.8825 0.9556 0.0252 -0.0263 0.0177 410 SQD A C2 +49957 C C2 B SQD WA . ? 1.1265 0.8829 0.9560 0.0253 -0.0264 0.0177 410 SQD A C2 +49958 O O2 A SQD WA . ? 1.1628 0.9259 0.9974 0.0206 -0.0255 0.0179 410 SQD A O2 +49959 O O2 B SQD WA . ? 1.1646 0.9277 0.9992 0.0207 -0.0256 0.0179 410 SQD A O2 +49960 C C3 A SQD WA . ? 1.0428 0.7972 0.8694 0.0285 -0.0275 0.0191 410 SQD A C3 +49961 C C3 B SQD WA . ? 1.0429 0.7969 0.8693 0.0286 -0.0276 0.0191 410 SQD A C3 +49962 O O3 A SQD WA . ? 1.1012 0.8512 0.9244 0.0254 -0.0268 0.0210 410 SQD A O3 +49963 O O3 B SQD WA . ? 1.1057 0.8549 0.9284 0.0254 -0.0268 0.0210 410 SQD A O3 +49964 C C4 A SQD WA . ? 1.0553 0.8025 0.8765 0.0336 -0.0285 0.0187 410 SQD A C4 +49965 C C4 B SQD WA . ? 1.0550 0.8018 0.8760 0.0337 -0.0285 0.0187 410 SQD A C4 +49966 O O4 A SQD WA . ? 1.0796 0.8272 0.8995 0.0373 -0.0300 0.0198 410 SQD A O4 +49967 O O4 B SQD WA . ? 1.0809 0.8274 0.9001 0.0374 -0.0300 0.0198 410 SQD A O4 +49968 C C5 A SQD WA . ? 1.0837 0.8354 0.9086 0.0366 -0.0289 0.0166 410 SQD A C5 +49969 C C5 B SQD WA . ? 1.0830 0.8348 0.9079 0.0368 -0.0290 0.0165 410 SQD A C5 +49970 C C6 A SQD WA . ? 1.0599 0.8045 0.8795 0.0416 -0.0297 0.0160 410 SQD A C6 +49971 C C6 B SQD WA . ? 1.0588 0.8036 0.8786 0.0419 -0.0298 0.0159 410 SQD A C6 +49972 O O5 A SQD WA . ? 1.0675 0.8216 0.8953 0.0328 -0.0276 0.0154 410 SQD A O5 +49973 O O5 B SQD WA . ? 1.0664 0.8207 0.8944 0.0331 -0.0277 0.0154 410 SQD A O5 +49974 S S A SQD WA . ? 1.0402 0.7923 0.8653 0.0452 -0.0302 0.0136 410 SQD A S +49975 S S B SQD WA . ? 1.0362 0.7883 0.8614 0.0454 -0.0303 0.0136 410 SQD A S +49976 O O7 A SQD WA . ? 1.1509 0.8970 0.9715 0.0507 -0.0312 0.0131 410 SQD A O7 +49977 O O7 B SQD WA . ? 1.1561 0.9017 0.9764 0.0507 -0.0311 0.0130 410 SQD A O7 +49978 O O8 A SQD WA . ? 1.0875 0.8408 0.9147 0.0418 -0.0288 0.0124 410 SQD A O8 +49979 O O8 B SQD WA . ? 1.0868 0.8406 0.9144 0.0418 -0.0288 0.0123 410 SQD A O8 +49980 O O9 A SQD WA . ? 1.0613 0.8245 0.8935 0.0465 -0.0312 0.0133 410 SQD A O9 +49981 O O9 B SQD WA . ? 1.0613 0.8244 0.8934 0.0472 -0.0313 0.0132 410 SQD A O9 +49982 C C1 . GOL XA . ? 0.8260 0.8001 0.8078 -0.0492 0.0122 -0.0032 411 GOL A C1 +49983 O O1 . GOL XA . ? 1.0480 1.0188 1.0270 -0.0493 0.0101 -0.0022 411 GOL A O1 +49984 C C2 . GOL XA . ? 1.0708 1.0399 1.0472 -0.0497 0.0148 -0.0022 411 GOL A C2 +49985 O O2 . GOL XA . ? 1.1775 1.1488 1.1561 -0.0514 0.0180 -0.0032 411 GOL A O2 +49986 C C3 . GOL XA . ? 0.8959 0.8589 0.8668 -0.0511 0.0146 -0.0008 411 GOL A C3 +49987 O O3 . GOL XA . ? 1.1111 1.0719 1.0796 -0.0490 0.0117 0.0003 411 GOL A O3 +49988 O O6 . SQD YA . ? 1.3500 1.3528 1.3457 0.0230 -0.0570 -0.0101 412 SQD A O6 +49989 C C44 . SQD YA . ? 1.1315 1.1267 1.1201 0.0222 -0.0568 -0.0078 412 SQD A C44 +49990 C C45 . SQD YA . ? 1.1428 1.1341 1.1295 0.0202 -0.0534 -0.0064 412 SQD A C45 +49991 C C46 . SQD YA . ? 0.8400 0.8299 0.8257 0.0159 -0.0516 -0.0055 412 SQD A C46 +49992 O O47 . SQD YA . ? 1.1799 1.1762 1.1721 0.0201 -0.0518 -0.0078 412 SQD A O47 +49993 C C7 . SQD YA . ? 0.9341 0.9281 0.9249 0.0231 -0.0514 -0.0075 412 SQD A C7 +49994 O O49 . SQD YA . ? 1.0466 1.0339 1.0314 0.0246 -0.0518 -0.0059 412 SQD A O49 +49995 C C8 . SQD YA . ? 0.9024 0.9021 0.8990 0.0241 -0.0504 -0.0093 412 SQD A C8 +49996 C C9 . SQD YA . ? 0.9151 0.9171 0.9148 0.0202 -0.0471 -0.0096 412 SQD A C9 +49997 C C10 . SQD YA . ? 1.0331 1.0281 1.0273 0.0179 -0.0450 -0.0074 412 SQD A C10 +49998 C C11 . SQD YA . ? 0.9865 0.9837 0.9836 0.0142 -0.0419 -0.0077 412 SQD A C11 +49999 C C12 . SQD YA . ? 0.9742 0.9649 0.9664 0.0127 -0.0397 -0.0058 412 SQD A C12 +50000 C C13 . SQD YA . ? 0.9781 0.9707 0.9727 0.0091 -0.0368 -0.0061 412 SQD A C13 +50001 C C14 . SQD YA . ? 1.1595 1.1466 1.1500 0.0084 -0.0346 -0.0046 412 SQD A C14 +50002 C C15 . SQD YA . ? 1.0283 1.0156 1.0195 0.0045 -0.0321 -0.0044 412 SQD A C15 +50003 C C16 . SQD YA . ? 0.8732 0.8551 0.8602 0.0038 -0.0302 -0.0030 412 SQD A C16 +50004 C C17 . SQD YA . ? 1.0169 1.0003 1.0056 0.0006 -0.0276 -0.0032 412 SQD A C17 +50005 C C18 . SQD YA . ? 1.0597 1.0373 1.0436 -0.0012 -0.0262 -0.0015 412 SQD A C18 +50006 C C19 . SQD YA . ? 0.9407 0.9153 0.9215 -0.0025 -0.0274 -0.0002 412 SQD A C19 +50007 C C20 . SQD YA . ? 1.0122 0.9852 0.9917 -0.0057 -0.0254 0.0005 412 SQD A C20 +50008 C C21 . SQD YA . ? 0.9482 0.9173 0.9239 -0.0068 -0.0262 0.0021 412 SQD A C21 +50009 C C22 . SQD YA . ? 1.0090 0.9731 0.9805 -0.0051 -0.0270 0.0033 412 SQD A C22 +50010 O O48 . SQD YA . ? 1.0695 1.0661 1.0613 0.0137 -0.0512 -0.0073 412 SQD A O48 +50011 C C23 . SQD YA . ? 1.1428 1.1404 1.1367 0.0099 -0.0482 -0.0072 412 SQD A C23 +50012 O O10 . SQD YA . ? 1.1447 1.1391 1.1367 0.0095 -0.0460 -0.0062 412 SQD A O10 +50013 C C24 . SQD YA . ? 1.0921 1.0941 1.0899 0.0066 -0.0477 -0.0084 412 SQD A C24 +50014 C C25 . SQD YA . ? 1.4165 1.4250 1.4210 0.0054 -0.0460 -0.0102 412 SQD A C25 +50015 C C26 . SQD YA . ? 1.2234 1.2356 1.2314 0.0017 -0.0451 -0.0113 412 SQD A C26 +50016 C C27 . SQD YA . ? 1.2920 1.3115 1.3073 0.0008 -0.0439 -0.0134 412 SQD A C27 +50017 C C28 . SQD YA . ? 1.0260 1.0479 1.0441 -0.0035 -0.0419 -0.0141 412 SQD A C28 +50018 C C29 . SQD YA . ? 1.3847 1.4044 1.4020 -0.0054 -0.0382 -0.0132 412 SQD A C29 +50019 C C30 . SQD YA . ? 1.4831 1.5086 1.5064 -0.0081 -0.0360 -0.0149 412 SQD A C30 +50020 C C31 . SQD YA . ? 1.5454 1.5696 1.5685 -0.0089 -0.0326 -0.0144 412 SQD A C31 +50021 C C32 . SQD YA . ? 1.4340 1.4518 1.4517 -0.0113 -0.0307 -0.0124 412 SQD A C32 +50022 C C33 . SQD YA . ? 1.4116 1.4302 1.4309 -0.0138 -0.0272 -0.0126 412 SQD A C33 +50023 C C34 . SQD YA . ? 1.4911 1.5046 1.5061 -0.0168 -0.0256 -0.0110 412 SQD A C34 +50024 C C35 . SQD YA . ? 1.4572 1.4719 1.4740 -0.0198 -0.0222 -0.0114 412 SQD A C35 +50025 C C36 . SQD YA . ? 1.0850 1.0940 1.0969 -0.0223 -0.0208 -0.0097 412 SQD A C36 +50026 C C37 . SQD YA . ? 1.0979 1.1061 1.1096 -0.0245 -0.0174 -0.0096 412 SQD A C37 +50027 C C38 . SQD YA . ? 0.9688 0.9711 0.9752 -0.0264 -0.0165 -0.0078 412 SQD A C38 +50028 C C1 . SQD YA . ? 1.5615 1.5679 1.5591 0.0264 -0.0603 -0.0115 412 SQD A C1 +50029 C C2 . SQD YA . ? 1.6128 1.6230 1.6143 0.0295 -0.0605 -0.0129 412 SQD A C2 +50030 O O2 . SQD YA . ? 1.5027 1.5073 1.5002 0.0308 -0.0587 -0.0114 412 SQD A O2 +50031 C C3 . SQD YA . ? 1.7768 1.7890 1.7785 0.0336 -0.0644 -0.0140 412 SQD A C3 +50032 O O3 . SQD YA . ? 1.6710 1.6858 1.6752 0.0375 -0.0651 -0.0151 412 SQD A O3 +50033 C C4 . SQD YA . ? 1.7812 1.8004 1.7882 0.0319 -0.0661 -0.0159 412 SQD A C4 +50034 O O4 . SQD YA . ? 1.8950 1.9165 1.9024 0.0357 -0.0700 -0.0171 412 SQD A O4 +50035 C C5 . SQD YA . ? 1.6972 1.7127 1.7007 0.0282 -0.0655 -0.0146 412 SQD A C5 +50036 C C6 . SQD YA . ? 1.8757 1.8976 1.8841 0.0261 -0.0669 -0.0166 412 SQD A C6 +50037 O O5 . SQD YA . ? 1.4714 1.4838 1.4736 0.0247 -0.0617 -0.0133 412 SQD A O5 +50038 S S . SQD YA . ? 1.5208 1.5376 1.5234 0.0244 -0.0682 -0.0152 412 SQD A S +50039 O O7 . SQD YA . ? 1.2825 1.2942 1.2816 0.0208 -0.0649 -0.0132 412 SQD A O7 +50040 O O8 . SQD YA . ? 1.3352 1.3465 1.3313 0.0282 -0.0709 -0.0140 412 SQD A O8 +50041 O O9 . SQD YA . ? 1.4642 1.4873 1.4717 0.0226 -0.0698 -0.0173 412 SQD A O9 +50042 O O1 A OEX ZA . ? 0.6029 0.5030 0.5017 -0.0171 0.0022 -0.0012 413 OEX A O1 +50043 O O1 B OEX ZA . ? 0.6005 0.5003 0.4990 -0.0171 0.0022 -0.0013 413 OEX A O1 +50044 CA CA1 A OEX ZA . ? 0.6966 0.6038 0.6050 -0.0164 0.0026 -0.0010 413 OEX A CA1 +50045 CA CA1 B OEX ZA . ? 0.6919 0.5988 0.6001 -0.0163 0.0025 -0.0011 413 OEX A CA1 +50046 MN MN1 A OEX ZA . ? 0.6323 0.5323 0.5308 -0.0187 -0.0001 0.0001 413 OEX A MN1 +50047 MN MN1 B OEX ZA . ? 0.6318 0.5319 0.5303 -0.0187 0.0000 0.0001 413 OEX A MN1 +50048 O O2 A OEX ZA . ? 0.6107 0.5176 0.5155 -0.0178 0.0063 -0.0008 413 OEX A O2 +50049 O O2 B OEX ZA . ? 0.7025 0.6093 0.6073 -0.0178 0.0061 -0.0008 413 OEX A O2 +50050 MN MN2 A OEX ZA . ? 0.6564 0.5574 0.5540 -0.0175 0.0056 -0.0013 413 OEX A MN2 +50051 MN MN2 B OEX ZA . ? 0.6578 0.5587 0.5552 -0.0175 0.0056 -0.0012 413 OEX A MN2 +50052 O O3 A OEX ZA . ? 0.6317 0.5327 0.5291 -0.0192 0.0032 0.0002 413 OEX A O3 +50053 O O3 B OEX ZA . ? 0.6458 0.5469 0.5434 -0.0192 0.0032 0.0002 413 OEX A O3 +50054 MN MN3 A OEX ZA . ? 0.6308 0.5380 0.5356 -0.0196 0.0046 0.0007 413 OEX A MN3 +50055 MN MN3 B OEX ZA . ? 0.6307 0.5379 0.5355 -0.0196 0.0046 0.0007 413 OEX A MN3 +50056 O O4 A OEX ZA . ? 0.6296 0.5427 0.5413 -0.0199 0.0061 0.0008 413 OEX A O4 +50057 O O4 B OEX ZA . ? 0.6201 0.5332 0.5317 -0.0198 0.0062 0.0007 413 OEX A O4 +50058 MN MN4 A OEX ZA . ? 0.6667 0.5808 0.5812 -0.0199 0.0027 0.0015 413 OEX A MN4 +50059 MN MN4 B OEX ZA . ? 0.6806 0.5949 0.5953 -0.0201 0.0028 0.0016 413 OEX A MN4 +50060 O O5 A OEX ZA . ? 0.6631 0.5707 0.5707 -0.0191 0.0014 0.0008 413 OEX A O5 +50061 O O5 B OEX ZA . ? 0.6705 0.5785 0.5785 -0.0191 0.0014 0.0009 413 OEX A O5 +50062 C C2 A PL9 AB . ? 1.2169 1.0151 1.0755 -0.0095 -0.0195 0.0246 414 PL9 A C2 +50063 C C2 B PL9 AB . ? 1.2166 1.0144 1.0750 -0.0096 -0.0194 0.0247 414 PL9 A C2 +50064 C C3 A PL9 AB . ? 1.3234 1.1301 1.1870 -0.0087 -0.0201 0.0244 414 PL9 A C3 +50065 C C3 B PL9 AB . ? 1.3272 1.1336 1.1907 -0.0088 -0.0201 0.0244 414 PL9 A C3 +50066 C C4 A PL9 AB . ? 1.2513 1.0595 1.1143 -0.0064 -0.0208 0.0255 414 PL9 A C4 +50067 C C4 B PL9 AB . ? 1.2545 1.0627 1.1176 -0.0063 -0.0209 0.0255 414 PL9 A C4 +50068 C C5 A PL9 AB . ? 1.3633 1.1638 1.2200 -0.0048 -0.0208 0.0270 414 PL9 A C5 +50069 C C5 B PL9 AB . ? 1.3690 1.1695 1.2257 -0.0046 -0.0209 0.0269 414 PL9 A C5 +50070 C C6 A PL9 AB . ? 1.2558 1.0471 1.1070 -0.0056 -0.0200 0.0272 414 PL9 A C6 +50071 C C6 B PL9 AB . ? 1.2569 1.0481 1.1080 -0.0056 -0.0200 0.0273 414 PL9 A C6 +50072 C C1 A PL9 AB . ? 1.2897 1.0802 1.1422 -0.0080 -0.0194 0.0260 414 PL9 A C1 +50073 C C1 B PL9 AB . ? 1.2930 1.0832 1.1453 -0.0081 -0.0193 0.0261 414 PL9 A C1 +50074 C C7 A PL9 AB . ? 1.2675 1.0816 1.1371 -0.0104 -0.0201 0.0230 414 PL9 A C7 +50075 C C7 B PL9 AB . ? 1.2714 1.0851 1.1408 -0.0105 -0.0201 0.0230 414 PL9 A C7 +50076 C C8 A PL9 AB . ? 1.3311 1.1421 1.1999 -0.0114 -0.0198 0.0218 414 PL9 A C8 +50077 C C8 B PL9 AB . ? 1.3342 1.1451 1.2029 -0.0112 -0.0198 0.0217 414 PL9 A C8 +50078 C C9 A PL9 AB . ? 1.2157 1.0320 1.0885 -0.0108 -0.0203 0.0203 414 PL9 A C9 +50079 C C9 B PL9 AB . ? 1.2172 1.0334 1.0899 -0.0107 -0.0203 0.0203 414 PL9 A C9 +50080 C C10 A PL9 AB . ? 1.1400 0.9644 1.0175 -0.0090 -0.0211 0.0201 414 PL9 A C10 +50081 C C10 B PL9 AB . ? 1.1431 0.9677 1.0207 -0.0092 -0.0210 0.0200 414 PL9 A C10 +50082 C C11 A PL9 AB . ? 1.2362 1.0492 1.1077 -0.0108 -0.0202 0.0190 414 PL9 A C11 +50083 C C11 B PL9 AB . ? 1.2371 1.0501 1.1086 -0.0107 -0.0203 0.0189 414 PL9 A C11 +50084 C C12 A PL9 AB . ? 1.3176 1.1230 1.1848 -0.0136 -0.0193 0.0193 414 PL9 A C12 +50085 C C12 B PL9 AB . ? 1.3185 1.1240 1.1858 -0.0135 -0.0193 0.0193 414 PL9 A C12 +50086 C C13 A PL9 AB . ? 1.3879 1.1963 1.2582 -0.0171 -0.0188 0.0183 414 PL9 A C13 +50087 C C13 B PL9 AB . ? 1.3907 1.1992 1.2611 -0.0172 -0.0188 0.0183 414 PL9 A C13 +50088 C C14 A PL9 AB . ? 1.3500 1.1535 1.2180 -0.0187 -0.0185 0.0174 414 PL9 A C14 +50089 C C14 B PL9 AB . ? 1.3498 1.1533 1.2178 -0.0187 -0.0185 0.0174 414 PL9 A C14 +50090 C C15 A PL9 AB . ? 1.4288 1.2233 1.2908 -0.0168 -0.0185 0.0174 414 PL9 A C15 +50091 C C15 B PL9 AB . ? 1.4302 1.2251 1.2925 -0.0166 -0.0186 0.0173 414 PL9 A C15 +50092 C C16 A PL9 AB . ? 1.4132 1.2204 1.2845 -0.0221 -0.0183 0.0162 414 PL9 A C16 +50093 C C16 B PL9 AB . ? 1.4131 1.2203 1.2844 -0.0222 -0.0183 0.0163 414 PL9 A C16 +50094 C C17 A PL9 AB . ? 1.5678 1.3682 1.4356 -0.0239 -0.0180 0.0154 414 PL9 A C17 +50095 C C17 B PL9 AB . ? 1.5692 1.3695 1.4369 -0.0239 -0.0180 0.0154 414 PL9 A C17 +50096 C C18 A PL9 AB . ? 1.5251 1.3240 1.3929 -0.0284 -0.0171 0.0160 414 PL9 A C18 +50097 C C18 B PL9 AB . ? 1.5258 1.3248 1.3936 -0.0285 -0.0171 0.0160 414 PL9 A C18 +50098 C C19 A PL9 AB . ? 1.5702 1.3705 1.4398 -0.0317 -0.0170 0.0148 414 PL9 A C19 +50099 C C19 B PL9 AB . ? 1.5717 1.3721 1.4413 -0.0317 -0.0170 0.0149 414 PL9 A C19 +50100 C C20 A PL9 AB . ? 1.4937 1.2971 1.3653 -0.0308 -0.0178 0.0130 414 PL9 A C20 +50101 C C20 B PL9 AB . ? 1.4940 1.2975 1.3656 -0.0308 -0.0178 0.0131 414 PL9 A C20 +50102 C C21 A PL9 AB . ? 1.5055 1.3047 1.3754 -0.0362 -0.0161 0.0153 414 PL9 A C21 +50103 C C21 B PL9 AB . ? 1.5057 1.3054 1.3759 -0.0362 -0.0161 0.0154 414 PL9 A C21 +50104 C C22 A PL9 AB . ? 1.4387 1.2422 1.3123 -0.0392 -0.0164 0.0139 414 PL9 A C22 +50105 C C22 B PL9 AB . ? 1.4381 1.2415 1.3116 -0.0392 -0.0164 0.0139 414 PL9 A C22 +50106 C C23 A PL9 AB . ? 1.4692 1.2721 1.3436 -0.0437 -0.0155 0.0143 414 PL9 A C23 +50107 C C23 B PL9 AB . ? 1.4711 1.2738 1.3454 -0.0437 -0.0155 0.0142 414 PL9 A C23 +50108 C C24 A PL9 AB . ? 1.5241 1.3297 1.4012 -0.0468 -0.0158 0.0130 414 PL9 A C24 +50109 C C24 B PL9 AB . ? 1.5268 1.3321 1.4037 -0.0469 -0.0158 0.0130 414 PL9 A C24 +50110 C C25 A PL9 AB . ? 1.5913 1.3999 1.4700 -0.0458 -0.0170 0.0112 414 PL9 A C25 +50111 C C25 B PL9 AB . ? 1.5929 1.4015 1.4716 -0.0458 -0.0171 0.0112 414 PL9 A C25 +50112 C C26 A PL9 AB . ? 1.3994 1.2048 1.2777 -0.0514 -0.0149 0.0132 414 PL9 A C26 +50113 C C26 B PL9 AB . ? 1.4009 1.2061 1.2791 -0.0515 -0.0149 0.0132 414 PL9 A C26 +50114 C C27 A PL9 AB . ? 1.4158 1.2179 1.2931 -0.0542 -0.0153 0.0115 414 PL9 A C27 +50115 C C27 B PL9 AB . ? 1.4148 1.2174 1.2925 -0.0543 -0.0154 0.0114 414 PL9 A C27 +50116 C C28 A PL9 AB . ? 1.4155 1.2168 1.2939 -0.0588 -0.0142 0.0117 414 PL9 A C28 +50117 C C28 B PL9 AB . ? 1.4180 1.2200 1.2968 -0.0589 -0.0143 0.0116 414 PL9 A C28 +50118 C C29 A PL9 AB . ? 1.3703 1.1666 1.2466 -0.0618 -0.0142 0.0106 414 PL9 A C29 +50119 C C29 B PL9 AB . ? 1.3697 1.1662 1.2462 -0.0618 -0.0142 0.0106 414 PL9 A C29 +50120 C C30 A PL9 AB . ? 1.4778 1.2687 1.3504 -0.0602 -0.0152 0.0092 414 PL9 A C30 +50121 C C30 B PL9 AB . ? 1.4794 1.2699 1.3518 -0.0602 -0.0151 0.0093 414 PL9 A C30 +50122 C C31 A PL9 AB . ? 1.2911 1.0870 1.1689 -0.0667 -0.0130 0.0107 414 PL9 A C31 +50123 C C31 B PL9 AB . ? 1.2903 1.0865 1.1683 -0.0667 -0.0131 0.0107 414 PL9 A C31 +50124 C C32 A PL9 AB . ? 1.4154 1.2014 1.2878 -0.0684 -0.0124 0.0104 414 PL9 A C32 +50125 C C32 B PL9 AB . ? 1.4167 1.2028 1.2892 -0.0685 -0.0124 0.0104 414 PL9 A C32 +50126 C C33 A PL9 AB . ? 1.3365 1.1213 1.2100 -0.0736 -0.0111 0.0104 414 PL9 A C33 +50127 C C33 B PL9 AB . ? 1.3378 1.1227 1.2113 -0.0737 -0.0110 0.0104 414 PL9 A C33 +50128 C C34 A PL9 AB . ? 1.2607 1.0377 1.1302 -0.0760 -0.0107 0.0096 414 PL9 A C34 +50129 C C34 B PL9 AB . ? 1.2602 1.0370 1.1296 -0.0761 -0.0106 0.0097 414 PL9 A C34 +50130 C C35 A PL9 AB . ? 1.4239 1.1930 1.2875 -0.0730 -0.0115 0.0092 414 PL9 A C35 +50131 C C35 B PL9 AB . ? 1.4266 1.1956 1.2902 -0.0731 -0.0114 0.0092 414 PL9 A C35 +50132 C C36 A PL9 AB . ? 1.1548 0.9295 1.0248 -0.0813 -0.0092 0.0097 414 PL9 A C36 +50133 C C36 B PL9 AB . ? 1.1537 0.9285 1.0238 -0.0814 -0.0091 0.0098 414 PL9 A C36 +50134 C C37 A PL9 AB . ? 1.2721 1.0387 1.1366 -0.0808 -0.0072 0.0117 414 PL9 A C37 +50135 C C37 B PL9 AB . ? 1.2729 1.0392 1.1372 -0.0810 -0.0071 0.0118 414 PL9 A C37 +50136 C C38 A PL9 AB . ? 1.3908 1.1554 1.2557 -0.0859 -0.0051 0.0122 414 PL9 A C38 +50137 C C38 B PL9 AB . ? 1.3924 1.1568 1.2573 -0.0861 -0.0051 0.0122 414 PL9 A C38 +50138 C C39 A PL9 AB . ? 1.4095 1.1688 1.2706 -0.0859 -0.0031 0.0143 414 PL9 A C39 +50139 C C39 B PL9 AB . ? 1.4113 1.1707 1.2725 -0.0860 -0.0031 0.0143 414 PL9 A C39 +50140 C C40 A PL9 AB . ? 1.3203 1.0758 1.1767 -0.0806 -0.0033 0.0160 414 PL9 A C40 +50141 C C40 B PL9 AB . ? 1.3199 1.0761 1.1768 -0.0808 -0.0032 0.0160 414 PL9 A C40 +50142 C C41 A PL9 AB . ? 1.4960 1.2531 1.3573 -0.0910 -0.0007 0.0149 414 PL9 A C41 +50143 C C41 B PL9 AB . ? 1.4978 1.2549 1.3592 -0.0912 -0.0007 0.0149 414 PL9 A C41 +50144 C C42 A PL9 AB . ? 1.4191 1.1841 1.2852 -0.0916 0.0005 0.0163 414 PL9 A C42 +50145 C C42 B PL9 AB . ? 1.4197 1.1848 1.2860 -0.0919 0.0006 0.0162 414 PL9 A C42 +50146 C C43 A PL9 AB . ? 1.4638 1.2394 1.3381 -0.0943 -0.0003 0.0147 414 PL9 A C43 +50147 C C43 B PL9 AB . ? 1.4682 1.2436 1.3426 -0.0947 -0.0002 0.0145 414 PL9 A C43 +50148 C C44 A PL9 AB . ? 1.3513 1.1315 1.2298 -0.0981 0.0014 0.0149 414 PL9 A C44 +50149 C C44 B PL9 AB . ? 1.3514 1.1316 1.2301 -0.0985 0.0014 0.0148 414 PL9 A C44 +50150 C C45 A PL9 AB . ? 1.4969 1.2710 1.3717 -0.1004 0.0044 0.0168 414 PL9 A C45 +50151 C C45 B PL9 AB . ? 1.4981 1.2727 1.3733 -0.1004 0.0044 0.0168 414 PL9 A C45 +50152 C C46 A PL9 AB . ? 1.2468 1.0376 1.1335 -0.1006 0.0004 0.0132 414 PL9 A C46 +50153 C C46 B PL9 AB . ? 1.2424 1.0328 1.1291 -0.1011 0.0004 0.0130 414 PL9 A C46 +50154 C C47 A PL9 AB . ? 1.5015 1.2930 1.3889 -0.0997 -0.0023 0.0110 414 PL9 A C47 +50155 C C47 B PL9 AB . ? 1.5037 1.2954 1.3913 -0.0998 -0.0024 0.0109 414 PL9 A C47 +50156 C C48 A PL9 AB . ? 1.5312 1.3274 1.4239 -0.1044 -0.0029 0.0088 414 PL9 A C48 +50157 C C48 B PL9 AB . ? 1.5324 1.3285 1.4251 -0.1044 -0.0031 0.0086 414 PL9 A C48 +50158 C C49 A PL9 AB . ? 1.5694 1.3672 1.4633 -0.1040 -0.0054 0.0066 414 PL9 A C49 +50159 C C49 B PL9 AB . ? 1.5726 1.3703 1.4664 -0.1038 -0.0056 0.0065 414 PL9 A C49 +50160 C C50 A PL9 AB . ? 1.6217 1.4239 1.5206 -0.1086 -0.0062 0.0044 414 PL9 A C50 +50161 C C50 B PL9 AB . ? 1.6277 1.4297 1.5264 -0.1083 -0.0065 0.0042 414 PL9 A C50 +50162 C C51 A PL9 AB . ? 1.4807 1.2764 1.3713 -0.0991 -0.0074 0.0064 414 PL9 A C51 +50163 C C51 B PL9 AB . ? 1.4797 1.2751 1.3700 -0.0987 -0.0075 0.0065 414 PL9 A C51 +50164 C C52 A PL9 AB . ? 1.0625 0.8640 0.9179 -0.0023 -0.0217 0.0281 414 PL9 A C52 +50165 C C52 B PL9 AB . ? 1.0600 0.8618 0.9157 -0.0020 -0.0219 0.0279 414 PL9 A C52 +50166 C C53 A PL9 AB . ? 1.2370 1.0195 1.0811 -0.0040 -0.0199 0.0288 414 PL9 A C53 +50167 C C53 B PL9 AB . ? 1.2389 1.0213 1.0828 -0.0038 -0.0200 0.0288 414 PL9 A C53 +50168 O O1 A PL9 AB . ? 1.1117 0.9275 0.9794 -0.0059 -0.0214 0.0252 414 PL9 A O1 +50169 O O1 B PL9 AB . ? 1.1133 0.9290 0.9810 -0.0057 -0.0215 0.0251 414 PL9 A O1 +50170 O O2 A PL9 AB . ? 1.3692 1.1519 1.2171 -0.0088 -0.0187 0.0261 414 PL9 A O2 +50171 O O2 B PL9 AB . ? 1.3816 1.1639 1.2292 -0.0091 -0.0186 0.0263 414 PL9 A O2 +50172 C C10 . UNL BB . ? 1.4167 1.4994 1.4876 0.0247 -0.0499 -0.0329 415 UNL A C10 +50173 C C23 . UNL BB . ? 1.4047 1.4547 1.4447 0.0277 -0.0550 -0.0240 415 UNL A C23 +50174 C C24 . UNL BB . ? 1.1654 1.2184 1.2093 0.0275 -0.0517 -0.0247 415 UNL A C24 +50175 C C25 . UNL BB . ? 1.3978 1.4549 1.4462 0.0225 -0.0486 -0.0255 415 UNL A C25 +50176 C C26 . UNL BB . ? 1.1503 1.2004 1.1931 0.0187 -0.0462 -0.0232 415 UNL A C26 +50177 C C27 . UNL BB . ? 1.3860 1.4404 1.4336 0.0140 -0.0432 -0.0242 415 UNL A C27 +50178 C C28 . UNL BB . ? 1.4601 1.5081 1.5024 0.0102 -0.0413 -0.0221 415 UNL A C28 +50179 C C29 . UNL BB . ? 1.7252 1.7778 1.7723 0.0057 -0.0388 -0.0232 415 UNL A C29 +50180 C C30 . UNL BB . ? 1.6536 1.7001 1.6959 0.0019 -0.0364 -0.0213 415 UNL A C30 +50181 C C31 . UNL BB . ? 1.6049 1.6556 1.6516 -0.0025 -0.0342 -0.0224 415 UNL A C31 +50182 C C32 . UNL BB . ? 1.4772 1.5219 1.5191 -0.0060 -0.0318 -0.0205 415 UNL A C32 +50183 C C33 . UNL BB . ? 1.3083 1.3499 1.3481 -0.0059 -0.0286 -0.0196 415 UNL A C33 +50184 C C34 . UNL BB . ? 1.4600 1.4979 1.4971 -0.0100 -0.0257 -0.0184 415 UNL A C34 +50185 C C35 . UNL BB . ? 1.4697 1.5085 1.5082 -0.0108 -0.0221 -0.0187 415 UNL A C35 +50186 C C36 . UNL BB . ? 1.3307 1.3676 1.3680 -0.0150 -0.0192 -0.0181 415 UNL A C36 +50187 C C37 . UNL BB . ? 1.2476 1.2863 1.2870 -0.0159 -0.0156 -0.0187 415 UNL A C37 +50188 C C38 . UNL BB . ? 1.3893 1.4288 1.4300 -0.0203 -0.0129 -0.0190 415 UNL A C38 +50189 C C4 . UNL BB . ? 1.6208 1.6806 1.6652 0.0436 -0.0677 -0.0282 415 UNL A C4 +50190 C C5 . UNL BB . ? 1.4371 1.4963 1.4827 0.0401 -0.0630 -0.0276 415 UNL A C5 +50191 C C6 . UNL BB . ? 1.6016 1.6521 1.6400 0.0367 -0.0612 -0.0249 415 UNL A C6 +50192 C C7 . UNL BB . ? 1.5052 1.5794 1.5655 0.0381 -0.0595 -0.0316 415 UNL A C7 +50193 C C8 . UNL BB . ? 1.4925 1.5701 1.5572 0.0339 -0.0551 -0.0321 415 UNL A C8 +50194 C C9 . UNL BB . ? 1.4896 1.5720 1.5588 0.0291 -0.0546 -0.0332 415 UNL A C9 +50195 O O10 . UNL BB . ? 1.5771 1.6220 1.6127 0.0248 -0.0542 -0.0223 415 UNL A O10 +50196 O O6 . UNL BB . ? 1.3700 1.4224 1.4072 0.0479 -0.0694 -0.0266 415 UNL A O6 +50197 O O7 . UNL BB . ? 1.9285 1.9962 1.9823 0.0368 -0.0614 -0.0297 415 UNL A O7 +50198 O O8 . UNL BB . ? 1.6900 1.7432 1.7314 0.0315 -0.0591 -0.0252 415 UNL A O8 +50199 O O9 . UNL BB . ? 1.6274 1.7041 1.6893 0.0427 -0.0616 -0.0327 415 UNL A O9 +50200 C CHA A PHO CB . ? 0.7820 0.6200 0.6743 -0.0362 -0.0160 0.0190 416 PHO A CHA +50201 C CHA B PHO CB . ? 0.7831 0.6211 0.6754 -0.0362 -0.0160 0.0190 416 PHO A CHA +50202 C CHB A PHO CB . ? 0.7865 0.6316 0.6842 -0.0366 -0.0185 0.0136 416 PHO A CHB +50203 C CHB B PHO CB . ? 0.7873 0.6322 0.6849 -0.0366 -0.0186 0.0136 416 PHO A CHB +50204 C CHC A PHO CB . ? 0.6698 0.5358 0.5782 -0.0311 -0.0194 0.0146 416 PHO A CHC +50205 C CHC B PHO CB . ? 0.6696 0.5356 0.5780 -0.0311 -0.0194 0.0145 416 PHO A CHC +50206 C CHD A PHO CB . ? 0.6651 0.5248 0.5684 -0.0298 -0.0178 0.0194 416 PHO A CHD +50207 C CHD B PHO CB . ? 0.6652 0.5249 0.5686 -0.0298 -0.0178 0.0194 416 PHO A CHD +50208 N NA A PHO CB . ? 0.7699 0.6132 0.6661 -0.0364 -0.0174 0.0163 416 PHO A NA +50209 N NA B PHO CB . ? 0.7717 0.6150 0.6680 -0.0365 -0.0173 0.0163 416 PHO A NA +50210 C C1A A PHO CB . ? 0.7620 0.6001 0.6552 -0.0372 -0.0165 0.0174 416 PHO A C1A +50211 C C1A B PHO CB . ? 0.7623 0.6003 0.6554 -0.0373 -0.0165 0.0174 416 PHO A C1A +50212 C C2A A PHO CB . ? 0.7767 0.6085 0.6668 -0.0394 -0.0162 0.0168 416 PHO A C2A +50213 C C2A B PHO CB . ? 0.7766 0.6084 0.6668 -0.0395 -0.0162 0.0168 416 PHO A C2A +50214 C C3A A PHO CB . ? 0.7780 0.6115 0.6693 -0.0387 -0.0172 0.0151 416 PHO A C3A +50215 C C3A B PHO CB . ? 0.7780 0.6114 0.6692 -0.0388 -0.0172 0.0151 416 PHO A C3A +50216 C C4A A PHO CB . ? 0.7661 0.6072 0.6614 -0.0371 -0.0177 0.0150 416 PHO A C4A +50217 C C4A B PHO CB . ? 0.7668 0.6078 0.6621 -0.0372 -0.0177 0.0150 416 PHO A C4A +50218 C CMA A PHO CB . ? 0.7286 0.5566 0.6158 -0.0357 -0.0175 0.0147 416 PHO A CMA +50219 C CMA B PHO CB . ? 0.7278 0.5556 0.6150 -0.0359 -0.0175 0.0146 416 PHO A CMA +50220 C CAA A PHO CB . ? 0.7338 0.5666 0.6256 -0.0435 -0.0154 0.0170 416 PHO A CAA +50221 C CAA B PHO CB . ? 0.7335 0.5661 0.6252 -0.0436 -0.0153 0.0170 416 PHO A CAA +50222 C CBA A PHO CB . ? 0.7869 0.6137 0.6761 -0.0459 -0.0152 0.0161 416 PHO A CBA +50223 C CBA B PHO CB . ? 0.7868 0.6135 0.6759 -0.0459 -0.0151 0.0161 416 PHO A CBA +50224 C CGA A PHO CB . ? 0.7804 0.6093 0.6721 -0.0502 -0.0145 0.0159 416 PHO A CGA +50225 C CGA B PHO CB . ? 0.7805 0.6092 0.6721 -0.0502 -0.0145 0.0159 416 PHO A CGA +50226 O O1A A PHO CB . ? 0.7756 0.6106 0.6713 -0.0512 -0.0143 0.0162 416 PHO A O1A +50227 O O1A B PHO CB . ? 0.7768 0.6116 0.6724 -0.0513 -0.0143 0.0162 416 PHO A O1A +50228 O O2A A PHO CB . ? 0.8427 0.6662 0.7323 -0.0531 -0.0142 0.0151 416 PHO A O2A +50229 O O2A B PHO CB . ? 0.8433 0.6666 0.7328 -0.0532 -0.0141 0.0151 416 PHO A O2A +50230 N NB A PHO CB . ? 0.6755 0.5310 0.5785 -0.0337 -0.0189 0.0144 416 PHO A NB +50231 N NB B PHO CB . ? 0.6760 0.5314 0.5789 -0.0337 -0.0189 0.0144 416 PHO A NB +50232 C C1B A PHO CB . ? 0.7171 0.5688 0.6182 -0.0349 -0.0191 0.0134 416 PHO A C1B +50233 C C1B B PHO CB . ? 0.7158 0.5674 0.6169 -0.0350 -0.0191 0.0133 416 PHO A C1B +50234 C C2B A PHO CB . ? 0.7243 0.5788 0.6268 -0.0346 -0.0197 0.0119 416 PHO A C2B +50235 C C2B B PHO CB . ? 0.7259 0.5802 0.6283 -0.0346 -0.0197 0.0119 416 PHO A C2B +50236 C C3B A PHO CB . ? 0.7053 0.5660 0.6110 -0.0330 -0.0199 0.0123 416 PHO A C3B +50237 C C3B B PHO CB . ? 0.7064 0.5669 0.6120 -0.0330 -0.0199 0.0123 416 PHO A C3B +50238 C C4B A PHO CB . ? 0.7407 0.6015 0.6465 -0.0325 -0.0194 0.0138 416 PHO A C4B +50239 C C4B B PHO CB . ? 0.7424 0.6032 0.6482 -0.0326 -0.0194 0.0138 416 PHO A C4B +50240 C CMB A PHO CB . ? 0.6080 0.4596 0.5089 -0.0356 -0.0202 0.0104 416 PHO A CMB +50241 C CMB B PHO CB . ? 0.6050 0.4564 0.5058 -0.0356 -0.0202 0.0104 416 PHO A CMB +50242 C CAB A PHO CB . ? 0.6613 0.5267 0.5692 -0.0320 -0.0203 0.0114 416 PHO A CAB +50243 C CAB B PHO CB . ? 0.6599 0.5251 0.5678 -0.0320 -0.0203 0.0114 416 PHO A CAB +50244 C CBB A PHO CB . ? 0.6138 0.4801 0.5223 -0.0335 -0.0208 0.0103 416 PHO A CBB +50245 C CBB B PHO CB . ? 0.6129 0.4792 0.5215 -0.0336 -0.0208 0.0103 416 PHO A CBB +50246 N NC A PHO CB . ? 0.7115 0.5732 0.6171 -0.0310 -0.0185 0.0170 416 PHO A NC +50247 N NC B PHO CB . ? 0.7145 0.5761 0.6200 -0.0308 -0.0185 0.0170 416 PHO A NC +50248 C C1C A PHO CB . ? 0.6558 0.5218 0.5639 -0.0302 -0.0191 0.0160 416 PHO A C1C +50249 C C1C B PHO CB . ? 0.6555 0.5214 0.5635 -0.0301 -0.0191 0.0159 416 PHO A C1C +50250 C C2C A PHO CB . ? 0.6448 0.5159 0.5554 -0.0284 -0.0193 0.0163 416 PHO A C2C +50251 C C2C B PHO CB . ? 0.6447 0.5157 0.5552 -0.0284 -0.0193 0.0163 416 PHO A C2C +50252 C C3C A PHO CB . ? 0.6439 0.5133 0.5531 -0.0279 -0.0190 0.0177 416 PHO A C3C +50253 C C3C B PHO CB . ? 0.6438 0.5133 0.5530 -0.0280 -0.0190 0.0177 416 PHO A C3C +50254 C C4C A PHO CB . ? 0.6651 0.5286 0.5711 -0.0296 -0.0184 0.0180 416 PHO A C4C +50255 C C4C B PHO CB . ? 0.6651 0.5286 0.5711 -0.0296 -0.0184 0.0180 416 PHO A C4C +50256 C CMC A PHO CB . ? 0.6128 0.4888 0.5261 -0.0274 -0.0197 0.0154 416 PHO A CMC +50257 C CMC B PHO CB . ? 0.6141 0.4903 0.5275 -0.0274 -0.0197 0.0155 416 PHO A CMC +50258 C CAC A PHO CB . ? 0.6168 0.4893 0.5271 -0.0262 -0.0191 0.0186 416 PHO A CAC +50259 C CAC B PHO CB . ? 0.6196 0.4924 0.5302 -0.0264 -0.0191 0.0186 416 PHO A CAC +50260 C CBC A PHO CB . ? 0.5663 0.4405 0.4776 -0.0281 -0.0186 0.0196 416 PHO A CBC +50261 C CBC B PHO CB . ? 0.5648 0.4390 0.4761 -0.0284 -0.0185 0.0196 416 PHO A CBC +50262 N ND A PHO CB . ? 0.7181 0.5688 0.6172 -0.0329 -0.0172 0.0186 416 PHO A ND +50263 N ND B PHO CB . ? 0.7186 0.5692 0.6177 -0.0329 -0.0172 0.0186 416 PHO A ND +50264 C C1D A PHO CB . ? 0.6929 0.5462 0.5928 -0.0315 -0.0172 0.0197 416 PHO A C1D +50265 C C1D B PHO CB . ? 0.6931 0.5463 0.5930 -0.0315 -0.0172 0.0197 416 PHO A C1D +50266 C C2D A PHO CB . ? 0.7160 0.5647 0.6126 -0.0315 -0.0164 0.0211 416 PHO A C2D +50267 C C2D B PHO CB . ? 0.7159 0.5646 0.6125 -0.0315 -0.0164 0.0211 416 PHO A C2D +50268 C C3D A PHO CB . ? 0.7840 0.6267 0.6776 -0.0334 -0.0159 0.0208 416 PHO A C3D +50269 C C3D B PHO CB . ? 0.7851 0.6277 0.6787 -0.0334 -0.0159 0.0209 416 PHO A C3D +50270 C C4D A PHO CB . ? 0.7351 0.5794 0.6305 -0.0341 -0.0165 0.0194 416 PHO A C4D +50271 C C4D B PHO CB . ? 0.7349 0.5791 0.6303 -0.0342 -0.0164 0.0194 416 PHO A C4D +50272 C CMD A PHO CB . ? 0.6544 0.5035 0.5501 -0.0302 -0.0162 0.0225 416 PHO A CMD +50273 C CMD B PHO CB . ? 0.6532 0.5023 0.5489 -0.0302 -0.0162 0.0225 416 PHO A CMD +50274 C CAD A PHO CB . ? 0.7829 0.6182 0.6722 -0.0350 -0.0150 0.0216 416 PHO A CAD +50275 C CAD B PHO CB . ? 0.7837 0.6190 0.6730 -0.0350 -0.0150 0.0216 416 PHO A CAD +50276 O OBD A PHO CB . ? 0.7946 0.6266 0.6811 -0.0347 -0.0142 0.0230 416 PHO A OBD +50277 O OBD B PHO CB . ? 0.7954 0.6275 0.6819 -0.0347 -0.0142 0.0230 416 PHO A OBD +50278 C CBD A PHO CB . ? 0.7369 0.5692 0.6255 -0.0368 -0.0150 0.0204 416 PHO A CBD +50279 C CBD B PHO CB . ? 0.7356 0.5678 0.6241 -0.0368 -0.0150 0.0204 416 PHO A CBD +50280 C CGD A PHO CB . ? 0.8054 0.6304 0.6890 -0.0347 -0.0152 0.0203 416 PHO A CGD +50281 C CGD B PHO CB . ? 0.8055 0.6304 0.6891 -0.0347 -0.0152 0.0203 416 PHO A CGD +50282 O O1D A PHO CB . ? 0.9054 0.7238 0.7851 -0.0358 -0.0144 0.0210 416 PHO A O1D +50283 O O1D B PHO CB . ? 0.9144 0.7326 0.7942 -0.0360 -0.0145 0.0207 416 PHO A O1D +50284 O O2D A PHO CB . ? 0.7696 0.5952 0.6531 -0.0312 -0.0164 0.0194 416 PHO A O2D +50285 O O2D B PHO CB . ? 0.7701 0.5957 0.6535 -0.0311 -0.0164 0.0195 416 PHO A O2D +50286 C CED A PHO CB . ? 0.8131 0.6321 0.6919 -0.0286 -0.0166 0.0195 416 PHO A CED +50287 C CED B PHO CB . ? 0.8122 0.6310 0.6910 -0.0287 -0.0167 0.0194 416 PHO A CED +50288 C C1 A PHO CB . ? 0.8086 0.6350 0.7013 -0.0572 -0.0137 0.0146 416 PHO A C1 +50289 C C1 B PHO CB . ? 0.8080 0.6346 0.7008 -0.0572 -0.0137 0.0146 416 PHO A C1 +50290 C C2 A PHO CB . ? 0.8072 0.6374 0.7026 -0.0577 -0.0152 0.0127 416 PHO A C2 +50291 C C2 B PHO CB . ? 0.8057 0.6362 0.7013 -0.0577 -0.0152 0.0127 416 PHO A C2 +50292 C C3 A PHO CB . ? 0.8354 0.6723 0.7356 -0.0598 -0.0155 0.0121 416 PHO A C3 +50293 C C3 B PHO CB . ? 0.8363 0.6736 0.7367 -0.0597 -0.0155 0.0122 416 PHO A C3 +50294 C C4 A PHO CB . ? 0.7819 0.6227 0.6850 -0.0615 -0.0143 0.0134 416 PHO A C4 +50295 C C4 B PHO CB . ? 0.7811 0.6223 0.6844 -0.0613 -0.0143 0.0134 416 PHO A C4 +50296 C C5 A PHO CB . ? 0.7893 0.6299 0.6919 -0.0602 -0.0170 0.0103 416 PHO A C5 +50297 C C5 B PHO CB . ? 0.7900 0.6311 0.6929 -0.0601 -0.0171 0.0103 416 PHO A C5 +50298 C C6 A PHO CB . ? 0.7692 0.6173 0.6755 -0.0580 -0.0178 0.0104 416 PHO A C6 +50299 C C6 B PHO CB . ? 0.7654 0.6142 0.6721 -0.0580 -0.0178 0.0105 416 PHO A C6 +50300 C C7 A PHO CB . ? 0.7708 0.6232 0.6798 -0.0589 -0.0192 0.0087 416 PHO A C7 +50301 C C7 B PHO CB . ? 0.7694 0.6223 0.6787 -0.0588 -0.0193 0.0087 416 PHO A C7 +50302 C C8 A PHO CB . ? 0.7641 0.6223 0.6753 -0.0561 -0.0200 0.0087 416 PHO A C8 +50303 C C8 B PHO CB . ? 0.7664 0.6252 0.6780 -0.0560 -0.0200 0.0088 416 PHO A C8 +50304 C C9 A PHO CB . ? 0.6802 0.5429 0.5942 -0.0557 -0.0192 0.0103 416 PHO A C9 +50305 C C9 B PHO CB . ? 0.6749 0.5385 0.5894 -0.0557 -0.0192 0.0102 416 PHO A C9 +50306 C C10 A PHO CB . ? 0.7672 0.6296 0.6810 -0.0571 -0.0215 0.0071 416 PHO A C10 +50307 C C10 B PHO CB . ? 0.7676 0.6304 0.6816 -0.0570 -0.0215 0.0071 416 PHO A C10 +50308 C C11 A PHO CB . ? 0.7026 0.5606 0.6135 -0.0573 -0.0225 0.0055 416 PHO A C11 +50309 C C11 B PHO CB . ? 0.7019 0.5601 0.6130 -0.0573 -0.0224 0.0056 416 PHO A C11 +50310 C C12 A PHO CB . ? 0.7515 0.6058 0.6588 -0.0539 -0.0225 0.0055 416 PHO A C12 +50311 C C12 B PHO CB . ? 0.7522 0.6071 0.6598 -0.0539 -0.0226 0.0055 416 PHO A C12 +50312 C C13 A PHO CB . ? 0.7611 0.6108 0.6653 -0.0544 -0.0234 0.0038 416 PHO A C13 +50313 C C13 B PHO CB . ? 0.7600 0.6101 0.6645 -0.0543 -0.0234 0.0038 416 PHO A C13 +50314 C C14 A PHO CB . ? 0.7404 0.5831 0.6415 -0.0564 -0.0227 0.0037 416 PHO A C14 +50315 C C14 B PHO CB . ? 0.7413 0.5846 0.6428 -0.0564 -0.0227 0.0038 416 PHO A C14 +50316 C C15 A PHO CB . ? 0.7077 0.5559 0.6095 -0.0508 -0.0237 0.0034 416 PHO A C15 +50317 C C15 B PHO CB . ? 0.7069 0.5551 0.6086 -0.0507 -0.0236 0.0035 416 PHO A C15 +50318 C C16 A PHO CB . ? 0.7454 0.5999 0.6498 -0.0492 -0.0245 0.0031 416 PHO A C16 +50319 C C16 B PHO CB . ? 0.7468 0.6011 0.6510 -0.0490 -0.0244 0.0032 416 PHO A C16 +50320 C C17 A PHO CB . ? 0.7111 0.5641 0.6131 -0.0458 -0.0244 0.0028 416 PHO A C17 +50321 C C17 B PHO CB . ? 0.7106 0.5634 0.6123 -0.0455 -0.0243 0.0028 416 PHO A C17 +50322 C C18 A PHO CB . ? 0.7202 0.5784 0.6239 -0.0444 -0.0251 0.0022 416 PHO A C18 +50323 C C18 B PHO CB . ? 0.7283 0.5859 0.6316 -0.0444 -0.0251 0.0021 416 PHO A C18 +50324 C C19 A PHO CB . ? 0.7183 0.5744 0.6194 -0.0413 -0.0248 0.0018 416 PHO A C19 +50325 C C19 B PHO CB . ? 0.7181 0.5739 0.6189 -0.0413 -0.0249 0.0016 416 PHO A C19 +50326 C C20 A PHO CB . ? 0.6535 0.5179 0.5611 -0.0441 -0.0248 0.0035 416 PHO A C20 +50327 C C20 B PHO CB . ? 0.6349 0.4990 0.5422 -0.0442 -0.0250 0.0032 416 PHO A C20 +50328 C C1B . LMT DB . ? 1.8794 1.8028 1.8086 -0.0417 0.0014 0.0112 417 LMT A C1B +50329 C C2B . LMT DB . ? 1.9122 1.8348 1.8401 -0.0400 -0.0010 0.0120 417 LMT A C2B +50330 C C3B . LMT DB . ? 1.6399 1.5644 1.5691 -0.0383 -0.0021 0.0120 417 LMT A C3B +50331 C C4B . LMT DB . ? 1.5043 1.4263 1.4303 -0.0381 -0.0008 0.0122 417 LMT A C4B +50332 C C5B . LMT DB . ? 1.5590 1.4814 1.4857 -0.0398 0.0017 0.0115 417 LMT A C5B +50333 C C6B . LMT DB . ? 1.5132 1.4326 1.4360 -0.0396 0.0032 0.0118 417 LMT A C6B +50334 O O1B . LMT DB . ? 1.6122 1.5404 1.5465 -0.0419 0.0013 0.0103 417 LMT A O1B +50335 O O2B . LMT DB . ? 1.9244 1.8487 1.8547 -0.0402 -0.0022 0.0118 417 LMT A O2B +50336 O O3B . LMT DB . ? 1.4571 1.3816 1.3860 -0.0369 -0.0041 0.0126 417 LMT A O3B +50337 O "O4'" . LMT DB . ? 1.3571 1.2805 1.2840 -0.0368 -0.0016 0.0121 417 LMT A "O4'" +50338 O O5B . LMT DB . ? 1.7529 1.6743 1.6793 -0.0415 0.0028 0.0114 417 LMT A O5B +50339 O O6B . LMT DB . ? 1.6210 1.5393 1.5430 -0.0414 0.0057 0.0114 417 LMT A O6B +50340 C "C1'" . LMT DB . ? 1.5710 1.5109 1.5189 -0.0447 0.0011 0.0071 417 LMT A "C1'" +50341 C "C2'" . LMT DB . ? 1.6443 1.5809 1.5888 -0.0438 -0.0006 0.0082 417 LMT A "C2'" +50342 C "C3'" . LMT DB . ? 1.7720 1.7052 1.7123 -0.0424 -0.0007 0.0093 417 LMT A "C3'" +50343 C "C4'" . LMT DB . ? 1.7905 1.7208 1.7278 -0.0434 0.0016 0.0095 417 LMT A "C4'" +50344 C "C5'" . LMT DB . ? 1.5188 1.4525 1.4596 -0.0445 0.0034 0.0083 417 LMT A "C5'" +50345 C "C6'" . LMT DB . ? 1.6898 1.6209 1.6279 -0.0456 0.0061 0.0084 417 LMT A "C6'" +50346 O "O1'" . LMT DB . ? 1.6134 1.5567 1.5652 -0.0460 0.0011 0.0060 417 LMT A "O1'" +50347 O "O2'" . LMT DB . ? 1.5001 1.4393 1.4471 -0.0425 -0.0028 0.0081 417 LMT A "O2'" +50348 O "O3'" . LMT DB . ? 1.5979 1.5285 1.5355 -0.0417 -0.0021 0.0102 417 LMT A "O3'" +50349 O "O5'" . LMT DB . ? 1.7515 1.6884 1.6963 -0.0459 0.0035 0.0074 417 LMT A "O5'" +50350 O "O6'" . LMT DB . ? 1.6826 1.6106 1.6182 -0.0474 0.0070 0.0087 417 LMT A "O6'" +50351 C C1 . LMT DB . ? 1.5359 1.4839 1.4922 -0.0448 -0.0003 0.0052 417 LMT A C1 +50352 C C2 . LMT DB . ? 1.0976 1.0486 1.0575 -0.0461 -0.0008 0.0041 417 LMT A C2 +50353 C C3 . LMT DB . ? 0.8624 0.8157 0.8245 -0.0447 -0.0035 0.0039 417 LMT A C3 +50354 C C4 . LMT DB . ? 1.1457 1.1028 1.1110 -0.0429 -0.0042 0.0034 417 LMT A C4 +50355 C C5 . LMT DB . ? 1.0034 0.9613 0.9691 -0.0409 -0.0068 0.0038 417 LMT A C5 +50356 C C6 . LMT DB . ? 0.9390 0.9003 0.9078 -0.0391 -0.0077 0.0032 417 LMT A C6 +50357 C C7 . LMT DB . ? 1.1227 1.0849 1.0921 -0.0375 -0.0102 0.0034 417 LMT A C7 +50358 C C8 . LMT DB . ? 1.1678 1.1335 1.1403 -0.0356 -0.0112 0.0027 417 LMT A C8 +50359 C C9 . LMT DB . ? 1.4611 1.4266 1.4331 -0.0338 -0.0137 0.0032 417 LMT A C9 +50360 C C10 . LMT DB . ? 1.3350 1.3046 1.3108 -0.0324 -0.0150 0.0021 417 LMT A C10 +50361 C C11 . LMT DB . ? 1.4726 1.4417 1.4475 -0.0308 -0.0174 0.0025 417 LMT A C11 +50362 C C12 . LMT DB . ? 1.3249 1.2962 1.3017 -0.0285 -0.0187 0.0021 417 LMT A C12 +50363 C C1 . GOL EB . ? 1.1718 1.1026 1.1065 -0.0313 -0.0121 0.0140 418 GOL A C1 +50364 O O1 . GOL EB . ? 1.0898 1.0223 1.0268 -0.0321 -0.0114 0.0133 418 GOL A O1 +50365 C C2 . GOL EB . ? 0.8176 0.7492 0.7532 -0.0305 -0.0128 0.0139 418 GOL A C2 +50366 O O2 . GOL EB . ? 1.1127 1.0459 1.0502 -0.0300 -0.0138 0.0141 418 GOL A O2 +50367 C C3 . GOL EB . ? 1.2306 1.1601 1.1633 -0.0300 -0.0133 0.0145 418 GOL A C3 +50368 O O3 . GOL EB . ? 0.6972 0.6266 0.6298 -0.0296 -0.0135 0.0143 418 GOL A O3 +50369 O O1 A LHG FB . ? 0.9553 0.8211 0.8433 -0.0092 -0.0230 0.0304 419 LHG A O1 +50370 O O1 B LHG FB . ? 0.9596 0.8257 0.8480 -0.0091 -0.0231 0.0303 419 LHG A O1 +50371 C C1 A LHG FB . ? 0.8138 0.6837 0.7045 -0.0113 -0.0221 0.0305 419 LHG A C1 +50372 C C1 B LHG FB . ? 0.8127 0.6825 0.7032 -0.0112 -0.0222 0.0305 419 LHG A C1 +50373 C C2 A LHG FB . ? 0.8795 0.7451 0.7662 -0.0129 -0.0204 0.0320 419 LHG A C2 +50374 C C2 B LHG FB . ? 0.8837 0.7489 0.7699 -0.0126 -0.0205 0.0320 419 LHG A C2 +50375 O O2 A LHG FB . ? 1.0771 0.9371 0.9582 -0.0106 -0.0211 0.0329 419 LHG A O2 +50376 O O2 B LHG FB . ? 1.0969 0.9564 0.9777 -0.0102 -0.0213 0.0328 419 LHG A O2 +50377 C C3 A LHG FB . ? 0.8063 0.6689 0.6926 -0.0155 -0.0186 0.0323 419 LHG A C3 +50378 C C3 B LHG FB . ? 0.8072 0.6700 0.6934 -0.0154 -0.0186 0.0324 419 LHG A C3 +50379 O O3 A LHG FB . ? 0.8535 0.7146 0.7378 -0.0173 -0.0169 0.0335 419 LHG A O3 +50380 O O3 B LHG FB . ? 0.8570 0.7179 0.7409 -0.0172 -0.0169 0.0336 419 LHG A O3 +50381 P P A LHG FB . ? 0.7904 0.6482 0.6733 -0.0206 -0.0145 0.0343 419 LHG A P +50382 P P B LHG FB . ? 0.7883 0.6463 0.6714 -0.0205 -0.0145 0.0342 419 LHG A P +50383 O O4 A LHG FB . ? 0.9079 0.7594 0.7872 -0.0202 -0.0144 0.0347 419 LHG A O4 +50384 O O4 B LHG FB . ? 0.9093 0.7608 0.7885 -0.0200 -0.0145 0.0346 419 LHG A O4 +50385 O O5 A LHG FB . ? 0.7526 0.6105 0.6339 -0.0216 -0.0131 0.0353 419 LHG A O5 +50386 O O5 B LHG FB . ? 0.7541 0.6121 0.6358 -0.0220 -0.0129 0.0353 419 LHG A O5 +50387 O O6 A LHG FB . ? 0.8316 0.6952 0.7207 -0.0229 -0.0141 0.0331 419 LHG A O6 +50388 O O6 B LHG FB . ? 0.8385 0.7024 0.7278 -0.0224 -0.0145 0.0329 419 LHG A O6 +50389 C C4 A LHG FB . ? 0.7750 0.6446 0.6681 -0.0239 -0.0138 0.0326 419 LHG A C4 +50390 C C4 B LHG FB . ? 0.7751 0.6444 0.6681 -0.0240 -0.0138 0.0326 419 LHG A C4 +50391 C C5 A LHG FB . ? 0.8146 0.6889 0.7126 -0.0242 -0.0147 0.0312 419 LHG A C5 +50392 C C5 B LHG FB . ? 0.8139 0.6884 0.7121 -0.0242 -0.0148 0.0311 419 LHG A C5 +50393 C C6 A LHG FB . ? 0.8307 0.7030 0.7293 -0.0261 -0.0140 0.0309 419 LHG A C6 +50394 C C6 B LHG FB . ? 0.8321 0.7049 0.7310 -0.0261 -0.0141 0.0307 419 LHG A C6 +50395 O O7 A LHG FB . ? 0.8635 0.7435 0.7656 -0.0256 -0.0143 0.0307 419 LHG A O7 +50396 O O7 B LHG FB . ? 0.8665 0.7464 0.7683 -0.0255 -0.0143 0.0308 419 LHG A O7 +50397 C C7 A LHG FB . ? 0.8868 0.7705 0.7905 -0.0236 -0.0158 0.0301 419 LHG A C7 +50398 C C7 B LHG FB . ? 0.8888 0.7727 0.7927 -0.0236 -0.0158 0.0301 419 LHG A C7 +50399 O O9 A LHG FB . ? 0.9197 0.8022 0.8222 -0.0213 -0.0172 0.0298 419 LHG A O9 +50400 O O9 B LHG FB . ? 0.9349 0.8181 0.8382 -0.0215 -0.0173 0.0296 419 LHG A O9 +50401 C C8 A LHG FB . ? 0.9022 0.7908 0.8087 -0.0243 -0.0155 0.0299 419 LHG A C8 +50402 C C8 B LHG FB . ? 0.9030 0.7918 0.8096 -0.0243 -0.0155 0.0299 419 LHG A C8 +50403 C C9 A LHG FB . ? 0.9121 0.8051 0.8217 -0.0228 -0.0171 0.0288 419 LHG A C9 +50404 C C9 B LHG FB . ? 0.9127 0.8059 0.8224 -0.0229 -0.0171 0.0288 419 LHG A C9 +50405 C C10 A LHG FB . ? 0.8220 0.7177 0.7352 -0.0239 -0.0173 0.0277 419 LHG A C10 +50406 C C10 B LHG FB . ? 0.8195 0.7150 0.7327 -0.0238 -0.0173 0.0277 419 LHG A C10 +50407 O O8 A LHG FB . ? 0.8913 0.7682 0.7942 -0.0261 -0.0150 0.0295 419 LHG A O8 +50408 O O8 B LHG FB . ? 0.8926 0.7701 0.7959 -0.0261 -0.0150 0.0294 419 LHG A O8 +50409 C C23 A LHG FB . ? 0.8764 0.7526 0.7806 -0.0275 -0.0148 0.0288 419 LHG A C23 +50410 C C23 B LHG FB . ? 0.8788 0.7552 0.7831 -0.0273 -0.0150 0.0287 419 LHG A C23 +50411 O O10 A LHG FB . ? 0.9097 0.7814 0.8113 -0.0288 -0.0138 0.0293 419 LHG A O10 +50412 O O10 B LHG FB . ? 0.9244 0.7961 0.8260 -0.0284 -0.0140 0.0292 419 LHG A O10 +50413 C C24 A LHG FB . ? 0.8914 0.7720 0.7996 -0.0273 -0.0158 0.0274 419 LHG A C24 +50414 C C24 B LHG FB . ? 0.8889 0.7697 0.7973 -0.0271 -0.0159 0.0273 419 LHG A C24 +50415 C C11 A LHG FB . ? 0.9586 0.8590 0.8749 -0.0229 -0.0183 0.0268 419 LHG A C11 +50416 C C11 B LHG FB . ? 0.9610 0.8611 0.8772 -0.0228 -0.0185 0.0267 419 LHG A C11 +50417 C C12 A LHG FB . ? 0.9532 0.8567 0.8731 -0.0242 -0.0183 0.0258 419 LHG A C12 +50418 C C12 B LHG FB . ? 0.9535 0.8570 0.8734 -0.0242 -0.0183 0.0258 419 LHG A C12 +50419 C C13 A LHG FB . ? 1.0400 0.9472 0.9622 -0.0229 -0.0194 0.0249 419 LHG A C13 +50420 C C13 B LHG FB . ? 1.0421 0.9493 0.9644 -0.0230 -0.0194 0.0249 419 LHG A C13 +50421 C C14 A LHG FB . ? 1.0083 0.9185 0.9316 -0.0231 -0.0193 0.0250 419 LHG A C14 +50422 C C14 B LHG FB . ? 1.0079 0.9181 0.9312 -0.0231 -0.0193 0.0249 419 LHG A C14 +50423 C C15 A LHG FB . ? 1.1871 1.1008 1.1136 -0.0245 -0.0189 0.0244 419 LHG A C15 +50424 C C15 B LHG FB . ? 1.1893 1.1030 1.1158 -0.0244 -0.0190 0.0243 419 LHG A C15 +50425 C C16 A LHG FB . ? 1.0528 0.9692 0.9802 -0.0246 -0.0188 0.0244 419 LHG A C16 +50426 C C16 B LHG FB . ? 1.0490 0.9656 0.9766 -0.0245 -0.0189 0.0243 419 LHG A C16 +50427 C C17 A LHG FB . ? 1.2282 1.1477 1.1584 -0.0258 -0.0185 0.0238 419 LHG A C17 +50428 C C17 B LHG FB . ? 1.2297 1.1493 1.1600 -0.0258 -0.0186 0.0237 419 LHG A C17 +50429 C C18 A LHG FB . ? 1.1896 1.1118 1.1208 -0.0257 -0.0185 0.0236 419 LHG A C18 +50430 C C18 B LHG FB . ? 1.1898 1.1121 1.1211 -0.0257 -0.0185 0.0236 419 LHG A C18 +50431 C C19 A LHG FB . ? 1.0267 0.9498 0.9579 -0.0243 -0.0195 0.0232 419 LHG A C19 +50432 C C19 B LHG FB . ? 1.0244 0.9474 0.9555 -0.0243 -0.0195 0.0232 419 LHG A C19 +50433 C C20 A LHG FB . ? 1.1748 1.1008 1.1076 -0.0245 -0.0196 0.0227 419 LHG A C20 +50434 C C20 B LHG FB . ? 1.1758 1.1017 1.1085 -0.0244 -0.0196 0.0227 419 LHG A C20 +50435 C C21 A LHG FB . ? 1.2058 1.1322 1.1382 -0.0251 -0.0187 0.0233 419 LHG A C21 +50436 C C21 B LHG FB . ? 1.2071 1.1336 1.1395 -0.0251 -0.0187 0.0233 419 LHG A C21 +50437 C C22 A LHG FB . ? 1.1138 1.0425 1.0472 -0.0250 -0.0189 0.0228 419 LHG A C22 +50438 C C22 B LHG FB . ? 1.1111 1.0400 1.0448 -0.0251 -0.0189 0.0228 419 LHG A C22 +50439 C C25 A LHG FB . ? 0.8792 0.7644 0.7912 -0.0297 -0.0150 0.0270 419 LHG A C25 +50440 C C25 B LHG FB . ? 0.8798 0.7648 0.7917 -0.0297 -0.0151 0.0269 419 LHG A C25 +50441 C C26 A LHG FB . ? 0.9015 0.7916 0.8174 -0.0295 -0.0159 0.0257 419 LHG A C26 +50442 C C26 B LHG FB . ? 0.9025 0.7928 0.8184 -0.0295 -0.0159 0.0257 419 LHG A C26 +50443 C C27 A LHG FB . ? 0.8101 0.7030 0.7288 -0.0321 -0.0152 0.0253 419 LHG A C27 +50444 C C27 B LHG FB . ? 0.8088 0.7019 0.7276 -0.0321 -0.0152 0.0253 419 LHG A C27 +50445 C C28 A LHG FB . ? 0.9574 0.8558 0.8799 -0.0321 -0.0158 0.0244 419 LHG A C28 +50446 C C28 B LHG FB . ? 0.9646 0.8632 0.8871 -0.0320 -0.0158 0.0245 419 LHG A C28 +50447 C C29 A LHG FB . ? 0.9576 0.8591 0.8822 -0.0340 -0.0149 0.0246 419 LHG A C29 +50448 C C29 B LHG FB . ? 0.9588 0.8605 0.8835 -0.0340 -0.0149 0.0246 419 LHG A C29 +50449 C C30 A LHG FB . ? 0.9154 0.8220 0.8430 -0.0335 -0.0155 0.0240 419 LHG A C30 +50450 C C30 B LHG FB . ? 0.9149 0.8217 0.8426 -0.0335 -0.0155 0.0240 419 LHG A C30 +50451 C C31 A LHG FB . ? 0.9834 0.8912 0.9104 -0.0317 -0.0157 0.0245 419 LHG A C31 +50452 C C31 B LHG FB . ? 0.9822 0.8902 0.9093 -0.0318 -0.0157 0.0245 419 LHG A C31 +50453 C C32 A LHG FB . ? 1.0866 0.9949 1.0131 -0.0325 -0.0147 0.0254 419 LHG A C32 +50454 C C32 B LHG FB . ? 1.0882 0.9962 1.0145 -0.0325 -0.0146 0.0254 419 LHG A C32 +50455 C C33 A LHG FB . ? 1.0417 0.9490 0.9660 -0.0306 -0.0149 0.0261 419 LHG A C33 +50456 C C33 B LHG FB . ? 1.0418 0.9493 0.9663 -0.0307 -0.0149 0.0261 419 LHG A C33 +50457 C C34 A LHG FB . ? 1.0149 0.9213 0.9377 -0.0313 -0.0136 0.0271 419 LHG A C34 +50458 C C34 B LHG FB . ? 1.0151 0.9211 0.9377 -0.0313 -0.0136 0.0271 419 LHG A C34 +50459 C C35 A LHG FB . ? 0.9583 0.8611 0.8773 -0.0296 -0.0138 0.0279 419 LHG A C35 +50460 C C35 B LHG FB . ? 0.9585 0.8616 0.8776 -0.0295 -0.0139 0.0279 419 LHG A C35 +50461 C C36 A LHG FB . ? 0.8966 0.7994 0.8141 -0.0297 -0.0128 0.0288 419 LHG A C36 +50462 C C36 B LHG FB . ? 0.8968 0.7998 0.8144 -0.0298 -0.0128 0.0288 419 LHG A C36 +50463 C C37 A LHG FB . ? 0.8802 0.7780 0.7937 -0.0301 -0.0117 0.0300 419 LHG A C37 +50464 C C37 B LHG FB . ? 0.8820 0.7799 0.7955 -0.0299 -0.0119 0.0299 419 LHG A C37 +50465 C C38 A LHG FB . ? 0.7072 0.6037 0.6177 -0.0290 -0.0113 0.0309 419 LHG A C38 +50466 C C38 B LHG FB . ? 0.7058 0.6029 0.6167 -0.0289 -0.0114 0.0308 419 LHG A C38 +50467 C C1B . LMT GB . ? 1.8079 1.8807 1.8701 0.0827 -0.0529 -0.0379 420 LMT A C1B +50468 C C2B . LMT GB . ? 1.7518 1.8250 1.8136 0.0799 -0.0555 -0.0372 420 LMT A C2B +50469 C C3B . LMT GB . ? 1.8067 1.8715 1.8603 0.0833 -0.0594 -0.0354 420 LMT A C3B +50470 C C4B . LMT GB . ? 1.6822 1.7377 1.7283 0.0874 -0.0591 -0.0340 420 LMT A C4B +50471 C C5B . LMT GB . ? 1.8316 1.8932 1.8832 0.0917 -0.0582 -0.0364 420 LMT A C5B +50472 C C6B . LMT GB . ? 1.4990 1.5519 1.5441 0.0933 -0.0558 -0.0351 420 LMT A C6B +50473 O O1B . LMT GB . ? 1.8049 1.8869 1.8756 0.0803 -0.0497 -0.0400 420 LMT A O1B +50474 O O2B . LMT GB . ? 1.6234 1.7080 1.6944 0.0801 -0.0570 -0.0398 420 LMT A O2B +50475 O O3B . LMT GB . ? 1.6679 1.7275 1.7168 0.0794 -0.0600 -0.0334 420 LMT A O3B +50476 O "O4'" . LMT GB . ? 1.5365 1.5855 1.5760 0.0910 -0.0628 -0.0328 420 LMT A "O4'" +50477 O O5B . LMT GB . ? 1.9354 2.0080 1.9969 0.0892 -0.0558 -0.0388 420 LMT A O5B +50478 O O6B . LMT GB . ? 1.7023 1.7501 1.7426 0.0992 -0.0585 -0.0348 420 LMT A O6B +50479 C "C1'" . LMT GB . ? 1.9008 1.9923 1.9816 0.0813 -0.0389 -0.0437 420 LMT A "C1'" +50480 C "C2'" . LMT GB . ? 1.7724 1.8588 1.8483 0.0875 -0.0430 -0.0433 420 LMT A "C2'" +50481 C "C3'" . LMT GB . ? 1.8713 1.9506 1.9406 0.0859 -0.0461 -0.0409 420 LMT A "C3'" +50482 C "C4'" . LMT GB . ? 1.9712 2.0592 2.0472 0.0840 -0.0485 -0.0422 420 LMT A "C4'" +50483 C "C5'" . LMT GB . ? 1.8500 1.9477 1.9350 0.0796 -0.0449 -0.0441 420 LMT A "C5'" +50484 C "C6'" . LMT GB . ? 1.8477 1.9583 1.9434 0.0820 -0.0457 -0.0474 420 LMT A "C6'" +50485 O "O1'" . LMT GB . ? 2.0954 2.1968 2.1849 0.0821 -0.0367 -0.0464 420 LMT A "O1'" +50486 O "O2'" . LMT GB . ? 1.5908 1.6693 1.6603 0.0901 -0.0415 -0.0423 420 LMT A "O2'" +50487 O "O3'" . LMT GB . ? 1.7161 1.7884 1.7790 0.0910 -0.0491 -0.0400 420 LMT A "O3'" +50488 O "O5'" . LMT GB . ? 1.9073 2.0016 1.9902 0.0770 -0.0402 -0.0434 420 LMT A "O5'" +50489 O "O6'" . LMT GB . ? 1.8351 1.9509 1.9348 0.0795 -0.0481 -0.0480 420 LMT A "O6'" +50490 C C1 . LMT GB . ? 1.6937 1.7926 1.7815 0.0839 -0.0334 -0.0467 420 LMT A C1 +50491 C C2 . LMT GB . ? 1.5171 1.6181 1.6072 0.0781 -0.0287 -0.0466 420 LMT A C2 +50492 C C3 . LMT GB . ? 1.3486 1.4396 1.4306 0.0762 -0.0256 -0.0445 420 LMT A C3 +50493 C C4 . LMT GB . ? 1.2109 1.3057 1.2964 0.0768 -0.0214 -0.0462 420 LMT A C4 +50494 C C5 . LMT GB . ? 1.3833 1.4684 1.4609 0.0746 -0.0184 -0.0442 420 LMT A C5 +50495 C C6 . LMT GB . ? 1.3766 1.4647 1.4569 0.0691 -0.0140 -0.0444 420 LMT A C6 +50496 C C7 . LMT GB . ? 1.4993 1.5775 1.5714 0.0649 -0.0130 -0.0416 420 LMT A C7 +50497 C C8 . LMT GB . ? 1.6614 1.7436 1.7370 0.0588 -0.0108 -0.0415 420 LMT A C8 +50498 C C9 . LMT GB . ? 1.5715 1.6447 1.6396 0.0545 -0.0101 -0.0388 420 LMT A C9 +50499 C C10 . LMT GB . ? 1.4143 1.4915 1.4858 0.0491 -0.0065 -0.0391 420 LMT A C10 +50500 C C11 . LMT GB . ? 1.4513 1.5200 1.5156 0.0448 -0.0059 -0.0365 420 LMT A C11 +50501 C C12 . LMT GB . ? 1.4859 1.5577 1.5528 0.0396 -0.0022 -0.0366 420 LMT A C12 +50502 MG MG . CLA HB . ? 0.8765 0.9232 0.9482 -0.1142 -0.0009 -0.0100 601 CLA B MG +50503 C CHA . CLA HB . ? 0.7594 0.8314 0.8537 -0.1194 -0.0030 -0.0165 601 CLA B CHA +50504 C CHB . CLA HB . ? 0.8439 0.8961 0.9195 -0.1155 0.0091 -0.0071 601 CLA B CHB +50505 C CHC . CLA HB . ? 0.7056 0.7273 0.7564 -0.1114 0.0014 -0.0044 601 CLA B CHC +50506 C CHD . CLA HB . ? 0.8562 0.8965 0.9238 -0.1147 -0.0109 -0.0138 601 CLA B CHD +50507 N NA . CLA HB . ? 1.0149 1.0744 1.0978 -0.1172 0.0026 -0.0114 601 CLA B NA +50508 C C1A . CLA HB . ? 0.9247 0.9939 1.0160 -0.1185 0.0014 -0.0139 601 CLA B C1A +50509 C C2A . CLA HB . ? 1.0158 1.0935 1.1140 -0.1196 0.0046 -0.0142 601 CLA B C2A +50510 C C3A . CLA HB . ? 0.9579 1.0288 1.0496 -0.1181 0.0084 -0.0112 601 CLA B C3A +50511 C C4A . CLA HB . ? 0.9203 0.9804 1.0031 -0.1169 0.0066 -0.0098 601 CLA B C4A +50512 C CMA . CLA HB . ? 0.7318 0.8072 0.8240 -0.1127 0.0079 -0.0105 601 CLA B CMA +50513 C CAA . CLA HB . ? 1.1400 1.2204 1.2436 -0.1259 0.0071 -0.0157 601 CLA B CAA +50514 C CBA . CLA HB . ? 0.7826 0.8526 0.8799 -0.1297 0.0105 -0.0138 601 CLA B CBA +50515 C CGA . CLA HB . ? 1.5495 1.6188 1.6495 -0.1354 0.0102 -0.0156 601 CLA B CGA +50516 O O1A . CLA HB . ? 1.2415 1.3034 1.3375 -0.1392 0.0132 -0.0145 601 CLA B O1A +50517 O O2A . CLA HB . ? 1.9158 1.9929 2.0228 -0.1365 0.0063 -0.0188 601 CLA B O2A +50518 N NB . CLA HB . ? 0.8025 0.8405 0.8667 -0.1137 0.0044 -0.0062 601 CLA B NB +50519 C C1B . CLA HB . ? 0.7573 0.7986 0.8238 -0.1139 0.0080 -0.0053 601 CLA B C1B +50520 C C2B . CLA HB . ? 0.7529 0.7861 0.8120 -0.1126 0.0109 -0.0024 601 CLA B C2B +50521 C C3B . CLA HB . ? 0.7004 0.7247 0.7522 -0.1113 0.0085 -0.0017 601 CLA B C3B +50522 C C4B . CLA HB . ? 0.7771 0.8052 0.8329 -0.1122 0.0047 -0.0042 601 CLA B C4B +50523 C CMB . CLA HB . ? 0.7596 0.7934 0.8183 -0.1124 0.0152 -0.0008 601 CLA B CMB +50524 C CAB . CLA HB . ? 0.8450 0.8592 0.8879 -0.1095 0.0096 0.0009 601 CLA B CAB +50525 C CBB . CLA HB . ? 0.7896 0.7985 0.8272 -0.1065 0.0068 0.0014 601 CLA B CBB +50526 N NC . CLA HB . ? 0.7597 0.7936 0.8213 -0.1134 -0.0040 -0.0093 601 CLA B NC +50527 C C1C . CLA HB . ? 0.7442 0.7688 0.7979 -0.1120 -0.0025 -0.0069 601 CLA B C1C +50528 C C2C . CLA HB . ? 0.7569 0.7739 0.8045 -0.1110 -0.0053 -0.0068 601 CLA B C2C +50529 C C3C . CLA HB . ? 0.7536 0.7760 0.8060 -0.1120 -0.0088 -0.0095 601 CLA B C3C +50530 C C4C . CLA HB . ? 0.7530 0.7858 0.8141 -0.1135 -0.0077 -0.0109 601 CLA B C4C +50531 C CMC . CLA HB . ? 0.7424 0.7489 0.7812 -0.1093 -0.0047 -0.0046 601 CLA B CMC +50532 C CAC . CLA HB . ? 0.7922 0.8108 0.8417 -0.1117 -0.0125 -0.0108 601 CLA B CAC +50533 C CBC . CLA HB . ? 0.7348 0.7564 0.7837 -0.1067 -0.0159 -0.0110 601 CLA B CBC +50534 N ND . CLA HB . ? 0.9568 1.0101 1.0352 -0.1165 -0.0059 -0.0139 601 CLA B ND +50535 C C1D . CLA HB . ? 0.7932 0.8439 0.8697 -0.1165 -0.0099 -0.0154 601 CLA B C1D +50536 C C2D . CLA HB . ? 0.9039 0.9630 0.9880 -0.1184 -0.0127 -0.0185 601 CLA B C2D +50537 C C3D . CLA HB . ? 0.8698 0.9378 0.9614 -0.1196 -0.0099 -0.0189 601 CLA B C3D +50538 C C4D . CLA HB . ? 0.8804 0.9442 0.9680 -0.1185 -0.0061 -0.0162 601 CLA B C4D +50539 C CMD . CLA HB . ? 0.8770 0.9370 0.9621 -0.1191 -0.0171 -0.0209 601 CLA B CMD +50540 C CAD . CLA HB . ? 0.9968 1.0765 1.0984 -0.1215 -0.0095 -0.0211 601 CLA B CAD +50541 O OBD . CLA HB . ? 0.9234 1.0096 1.0309 -0.1229 -0.0126 -0.0239 601 CLA B OBD +50542 C CBD . CLA HB . ? 0.9263 1.0088 1.0299 -0.1214 -0.0051 -0.0196 601 CLA B CBD +50543 C CGD . CLA HB . ? 0.9652 1.0570 1.0738 -0.1171 -0.0065 -0.0203 601 CLA B CGD +50544 O O1D . CLA HB . ? 1.2132 1.3117 1.3272 -0.1176 -0.0038 -0.0204 601 CLA B O1D +50545 O O2D . CLA HB . ? 1.0944 1.1874 1.2014 -0.1121 -0.0111 -0.0209 601 CLA B O2D +50546 C CED . CLA HB . ? 0.8735 0.9747 0.9847 -0.1079 -0.0123 -0.0214 601 CLA B CED +50547 C C1 . CLA HB . ? 1.6305 1.7040 1.7368 -0.1400 0.0040 -0.0204 601 CLA B C1 +50548 C C2 . CLA HB . ? 1.4983 1.5795 1.6102 -0.1388 -0.0011 -0.0234 601 CLA B C2 +50549 C C3 . CLA HB . ? 1.3356 1.4122 1.4442 -0.1390 -0.0049 -0.0245 601 CLA B C3 +50550 C C4 . CLA HB . ? 1.2519 1.3361 1.3658 -0.1378 -0.0099 -0.0274 601 CLA B C4 +50551 C C5 . CLA HB . ? 1.3298 1.3932 1.4289 -0.1402 -0.0042 -0.0227 601 CLA B C5 +50552 C C6 . CLA HB . ? 1.3330 1.3898 1.4239 -0.1344 -0.0060 -0.0206 601 CLA B C6 +50553 C C7 . CLA HB . ? 1.2703 1.3239 1.3572 -0.1318 -0.0024 -0.0176 601 CLA B C7 +50554 C C8 . CLA HB . ? 1.0599 1.1010 1.1372 -0.1319 -0.0005 -0.0150 601 CLA B C8 +50555 C C9 . CLA HB . ? 1.4149 1.4501 1.4909 -0.1376 0.0011 -0.0155 601 CLA B C9 +50556 C C10 . CLA HB . ? 1.0055 1.0454 1.0806 -0.1302 0.0035 -0.0124 601 CLA B C10 +50557 C C11 . CLA HB . ? 1.0239 1.0515 1.0894 -0.1300 0.0055 -0.0098 601 CLA B C11 +50558 C C12 . CLA HB . ? 0.9757 1.0017 1.0375 -0.1261 0.0076 -0.0072 601 CLA B C12 +50559 C C13 . CLA HB . ? 1.1051 1.1278 1.1654 -0.1290 0.0127 -0.0055 601 CLA B C13 +50560 C C14 . CLA HB . ? 1.3357 1.3686 1.4043 -0.1305 0.0151 -0.0065 601 CLA B C14 +50561 C C15 . CLA HB . ? 1.1290 1.1440 1.1812 -0.1253 0.0142 -0.0025 601 CLA B C15 +50562 C C16 . CLA HB . ? 1.2540 1.2650 1.3036 -0.1277 0.0192 -0.0006 601 CLA B C16 +50563 C C17 . CLA HB . ? 1.1559 1.1552 1.1955 -0.1260 0.0200 0.0020 601 CLA B C17 +50564 C C18 . CLA HB . ? 1.1663 1.1637 1.2028 -0.1245 0.0237 0.0043 601 CLA B C18 +50565 C C19 . CLA HB . ? 1.1108 1.1163 1.1510 -0.1203 0.0229 0.0042 601 CLA B C19 +50566 C C20 . CLA HB . ? 1.2957 1.2818 1.3223 -0.1224 0.0241 0.0068 601 CLA B C20 +50567 MG MG . CLA IB . ? 0.6701 0.6756 0.6943 -0.0865 0.0006 0.0056 602 CLA B MG +50568 C CHA . CLA IB . ? 0.6910 0.6839 0.7027 -0.0799 -0.0053 0.0068 602 CLA B CHA +50569 C CHB . CLA IB . ? 0.6277 0.6495 0.6635 -0.0837 -0.0066 0.0009 602 CLA B CHB +50570 C CHC . CLA IB . ? 0.6297 0.6468 0.6668 -0.0952 0.0067 0.0037 602 CLA B CHC +50571 C CHD . CLA IB . ? 0.6449 0.6300 0.6546 -0.0899 0.0071 0.0103 602 CLA B CHD +50572 N NA . CLA IB . ? 0.7651 0.7719 0.7888 -0.0828 -0.0049 0.0041 602 CLA B NA +50573 C C1A . CLA IB . ? 0.5802 0.5818 0.5986 -0.0801 -0.0066 0.0049 602 CLA B C1A +50574 C C2A . CLA IB . ? 0.6524 0.6570 0.6717 -0.0773 -0.0102 0.0038 602 CLA B C2A +50575 C C3A . CLA IB . ? 0.8548 0.8684 0.8815 -0.0782 -0.0106 0.0020 602 CLA B C3A +50576 C C4A . CLA IB . ? 0.8151 0.8292 0.8440 -0.0819 -0.0072 0.0024 602 CLA B C4A +50577 C CMA . CLA IB . ? 0.6483 0.6660 0.6760 -0.0745 -0.0104 0.0026 602 CLA B CMA +50578 C CAA . CLA IB . ? 0.6893 0.6904 0.7071 -0.0789 -0.0125 0.0027 602 CLA B CAA +50579 C CBA . CLA IB . ? 0.6905 0.6930 0.7078 -0.0760 -0.0161 0.0016 602 CLA B CBA +50580 C CGA . CLA IB . ? 0.6397 0.6356 0.6504 -0.0732 -0.0165 0.0032 602 CLA B CGA +50581 O O1A . CLA IB . ? 0.6859 0.6827 0.6953 -0.0697 -0.0175 0.0037 602 CLA B O1A +50582 O O2A . CLA IB . ? 0.7093 0.6974 0.7152 -0.0747 -0.0154 0.0042 602 CLA B O2A +50583 N NB . CLA IB . ? 0.6922 0.7101 0.7274 -0.0890 0.0000 0.0027 602 CLA B NB +50584 C C1B . CLA IB . ? 0.7845 0.8084 0.8238 -0.0875 -0.0032 0.0009 602 CLA B C1B +50585 C C2B . CLA IB . ? 0.7642 0.7970 0.8116 -0.0900 -0.0029 -0.0011 602 CLA B C2B +50586 C C3B . CLA IB . ? 0.7447 0.7761 0.7926 -0.0936 0.0012 -0.0003 602 CLA B C3B +50587 C C4B . CLA IB . ? 0.7719 0.7936 0.8117 -0.0926 0.0027 0.0021 602 CLA B C4B +50588 C CMB . CLA IB . ? 0.6354 0.6764 0.6889 -0.0890 -0.0061 -0.0035 602 CLA B CMB +50589 C CAB . CLA IB . ? 0.6867 0.7244 0.7414 -0.0974 0.0037 -0.0014 602 CLA B CAB +50590 C CBB . CLA IB . ? 0.7586 0.8000 0.8183 -0.1008 0.0026 -0.0035 602 CLA B CBB +50591 N NC . CLA IB . ? 0.7830 0.7845 0.8063 -0.0916 0.0058 0.0068 602 CLA B NC +50592 C C1C . CLA IB . ? 0.7334 0.7405 0.7624 -0.0947 0.0080 0.0059 602 CLA B C1C +50593 C C2C . CLA IB . ? 0.7499 0.7523 0.7765 -0.0979 0.0120 0.0073 602 CLA B C2C +50594 C C3C . CLA IB . ? 0.7380 0.7309 0.7563 -0.0961 0.0119 0.0093 602 CLA B C3C +50595 C C4C . CLA IB . ? 0.7421 0.7355 0.7593 -0.0923 0.0080 0.0087 602 CLA B C4C +50596 C CMC . CLA IB . ? 0.6747 0.6808 0.7058 -0.1019 0.0156 0.0069 602 CLA B CMC +50597 C CAC . CLA IB . ? 0.5893 0.5739 0.6016 -0.0976 0.0150 0.0113 602 CLA B CAC +50598 C CBC . CLA IB . ? 0.6096 0.5941 0.6196 -0.0950 0.0172 0.0130 602 CLA B CBC +50599 N ND . CLA IB . ? 0.7554 0.7480 0.7693 -0.0856 0.0009 0.0079 602 CLA B ND +50600 C C1D . CLA IB . ? 0.6952 0.6802 0.7036 -0.0866 0.0035 0.0098 602 CLA B C1D +50601 C C2D . CLA IB . ? 0.6119 0.5894 0.6136 -0.0842 0.0022 0.0110 602 CLA B C2D +50602 C C3D . CLA IB . ? 0.7191 0.7002 0.7225 -0.0817 -0.0013 0.0097 602 CLA B C3D +50603 C C4D . CLA IB . ? 0.6352 0.6245 0.6453 -0.0826 -0.0019 0.0081 602 CLA B C4D +50604 C CMD . CLA IB . ? 0.6884 0.6572 0.6832 -0.0840 0.0036 0.0128 602 CLA B CMD +50605 C CAD . CLA IB . ? 0.6894 0.6688 0.6901 -0.0785 -0.0044 0.0095 602 CLA B CAD +50606 O OBD . CLA IB . ? 0.7630 0.7357 0.7580 -0.0769 -0.0048 0.0107 602 CLA B OBD +50607 C CBD . CLA IB . ? 0.6219 0.6083 0.6274 -0.0774 -0.0069 0.0077 602 CLA B CBD +50608 C CGD . CLA IB . ? 0.6250 0.6133 0.6295 -0.0732 -0.0077 0.0085 602 CLA B CGD +50609 O O1D . CLA IB . ? 0.6963 0.6864 0.7014 -0.0723 -0.0058 0.0094 602 CLA B O1D +50610 O O2D . CLA IB . ? 0.6415 0.6295 0.6444 -0.0703 -0.0107 0.0080 602 CLA B O2D +50611 C CED . CLA IB . ? 0.6006 0.5912 0.6034 -0.0668 -0.0113 0.0084 602 CLA B CED +50612 C C1 . CLA IB . ? 0.7015 0.6835 0.7014 -0.0722 -0.0156 0.0057 602 CLA B C1 +50613 C C2 . CLA IB . ? 0.7489 0.7243 0.7451 -0.0742 -0.0133 0.0070 602 CLA B C2 +50614 C C3 . CLA IB . ? 0.7102 0.6817 0.7051 -0.0768 -0.0135 0.0064 602 CLA B C3 +50615 C C4 . CLA IB . ? 0.7332 0.7065 0.7302 -0.0781 -0.0161 0.0043 602 CLA B C4 +50616 C C5 . CLA IB . ? 0.6421 0.6066 0.6329 -0.0784 -0.0112 0.0078 602 CLA B C5 +50617 C C6 . CLA IB . ? 0.6838 0.6414 0.6689 -0.0769 -0.0124 0.0083 602 CLA B C6 +50618 C C7 . CLA IB . ? 0.9166 0.8673 0.8970 -0.0774 -0.0101 0.0100 602 CLA B C7 +50619 C C8 . CLA IB . ? 0.8931 0.8373 0.8681 -0.0756 -0.0113 0.0105 602 CLA B C8 +50620 C C9 . CLA IB . ? 0.9160 0.8602 0.8914 -0.0760 -0.0138 0.0088 602 CLA B C9 +50621 C C10 . CLA IB . ? 1.1494 1.0866 1.1204 -0.0774 -0.0093 0.0116 602 CLA B C10 +50622 C C11 . CLA IB . ? 1.0949 1.0257 1.0603 -0.0749 -0.0100 0.0125 602 CLA B C11 +50623 C C12 . CLA IB . ? 1.0685 0.9995 1.0321 -0.0717 -0.0094 0.0140 602 CLA B C12 +50624 C C13 . CLA IB . ? 0.9824 0.9071 0.9406 -0.0696 -0.0100 0.0148 602 CLA B C13 +50625 C C14 . CLA IB . ? 0.8809 0.8020 0.8357 -0.0685 -0.0080 0.0167 602 CLA B C14 +50626 C C15 . CLA IB . ? 0.9960 0.9231 0.9544 -0.0666 -0.0122 0.0143 602 CLA B C15 +50627 C C16 . CLA IB . ? 0.8971 0.8186 0.8508 -0.0646 -0.0130 0.0147 602 CLA B C16 +50628 C C17 . CLA IB . ? 0.8909 0.8123 0.8449 -0.0648 -0.0150 0.0131 602 CLA B C17 +50629 C C18 . CLA IB . ? 0.7728 0.6972 0.7272 -0.0619 -0.0167 0.0128 602 CLA B C18 +50630 C C19 . CLA IB . ? 0.8512 0.7744 0.8048 -0.0619 -0.0187 0.0113 602 CLA B C19 +50631 C C20 . CLA IB . ? 0.8623 0.7842 0.8135 -0.0591 -0.0163 0.0141 602 CLA B C20 +50632 MG MG . CLA JB . ? 0.6667 0.6684 0.6739 -0.0643 0.0032 0.0133 603 CLA B MG +50633 C CHA . CLA JB . ? 0.6032 0.6081 0.6094 -0.0563 -0.0036 0.0121 603 CLA B CHA +50634 C CHB . CLA JB . ? 0.6885 0.6842 0.6944 -0.0680 -0.0015 0.0116 603 CLA B CHB +50635 C CHC . CLA JB . ? 0.6081 0.6003 0.6104 -0.0711 0.0103 0.0158 603 CLA B CHC +50636 C CHD . CLA JB . ? 0.6371 0.6418 0.6421 -0.0590 0.0079 0.0155 603 CLA B CHD +50637 N NA . CLA JB . ? 0.6673 0.6678 0.6735 -0.0625 -0.0016 0.0122 603 CLA B NA +50638 C C1A . CLA JB . ? 0.5799 0.5827 0.5865 -0.0595 -0.0039 0.0116 603 CLA B C1A +50639 C C2A . CLA JB . ? 0.6625 0.6646 0.6689 -0.0593 -0.0071 0.0106 603 CLA B C2A +50640 C C3A . CLA JB . ? 0.7059 0.7057 0.7127 -0.0630 -0.0065 0.0102 603 CLA B C3A +50641 C C4A . CLA JB . ? 0.6050 0.6037 0.6114 -0.0646 -0.0030 0.0114 603 CLA B C4A +50642 C CMA . CLA JB . ? 0.6156 0.6221 0.6286 -0.0646 -0.0077 0.0082 603 CLA B CMA +50643 C CAA . CLA JB . ? 0.5494 0.5449 0.5497 -0.0572 -0.0082 0.0117 603 CLA B CAA +50644 C CBA . CLA JB . ? 0.5604 0.5492 0.5558 -0.0581 -0.0061 0.0134 603 CLA B CBA +50645 C CGA . CLA JB . ? 0.7030 0.6871 0.6965 -0.0607 -0.0063 0.0134 603 CLA B CGA +50646 O O1A . CLA JB . ? 0.7016 0.6860 0.6961 -0.0613 -0.0084 0.0122 603 CLA B O1A +50647 O O2A . CLA JB . ? 0.6707 0.6495 0.6609 -0.0624 -0.0041 0.0146 603 CLA B O2A +50648 N NB . CLA JB . ? 0.7383 0.7336 0.7433 -0.0689 0.0042 0.0136 603 CLA B NB +50649 C C1B . CLA JB . ? 0.7165 0.7099 0.7212 -0.0701 0.0020 0.0128 603 CLA B C1B +50650 C C2B . CLA JB . ? 0.6841 0.6722 0.6866 -0.0734 0.0034 0.0133 603 CLA B C2B +50651 C C3B . CLA JB . ? 0.7339 0.7209 0.7352 -0.0743 0.0070 0.0146 603 CLA B C3B +50652 C C4B . CLA JB . ? 0.6803 0.6721 0.6834 -0.0714 0.0071 0.0147 603 CLA B C4B +50653 C CMB . CLA JB . ? 0.5565 0.5412 0.5580 -0.0753 0.0016 0.0125 603 CLA B CMB +50654 C CAB . CLA JB . ? 0.6735 0.6553 0.6721 -0.0774 0.0098 0.0157 603 CLA B CAB +50655 C CBB . CLA JB . ? 0.6154 0.5958 0.6151 -0.0809 0.0101 0.0150 603 CLA B CBB +50656 N NC . CLA JB . ? 0.6390 0.6387 0.6439 -0.0649 0.0080 0.0152 603 CLA B NC +50657 C C1C . CLA JB . ? 0.6655 0.6609 0.6681 -0.0678 0.0104 0.0161 603 CLA B C1C +50658 C C2C . CLA JB . ? 0.6195 0.6130 0.6193 -0.0674 0.0136 0.0176 603 CLA B C2C +50659 C C3C . CLA JB . ? 0.6871 0.6845 0.6879 -0.0638 0.0128 0.0174 603 CLA B C3C +50660 C C4C . CLA JB . ? 0.6094 0.6103 0.6132 -0.0626 0.0094 0.0159 603 CLA B C4C +50661 C CMC . CLA JB . ? 0.6468 0.6352 0.6432 -0.0698 0.0168 0.0189 603 CLA B CMC +50662 C CAC . CLA JB . ? 0.7812 0.7785 0.7799 -0.0618 0.0150 0.0184 603 CLA B CAC +50663 C CBC . CLA JB . ? 0.5779 0.5683 0.5697 -0.0594 0.0140 0.0198 603 CLA B CBC +50664 N ND . CLA JB . ? 0.7074 0.7118 0.7137 -0.0591 0.0025 0.0137 603 CLA B ND +50665 C C1D . CLA JB . ? 0.7121 0.7176 0.7175 -0.0572 0.0044 0.0146 603 CLA B C1D +50666 C C2D . CLA JB . ? 0.7079 0.7151 0.7127 -0.0533 0.0026 0.0144 603 CLA B C2D +50667 C C3D . CLA JB . ? 0.6537 0.6606 0.6589 -0.0530 -0.0007 0.0134 603 CLA B C3D +50668 C C4D . CLA JB . ? 0.6157 0.6209 0.6215 -0.0564 -0.0005 0.0132 603 CLA B C4D +50669 C CMD . CLA JB . ? 0.6445 0.6529 0.6482 -0.0503 0.0035 0.0149 603 CLA B CMD +50670 C CAD . CLA JB . ? 0.6060 0.6132 0.6106 -0.0506 -0.0040 0.0127 603 CLA B CAD +50671 O OBD . CLA JB . ? 0.7065 0.7148 0.7103 -0.0474 -0.0049 0.0128 603 CLA B OBD +50672 C CBD . CLA JB . ? 0.6842 0.6903 0.6895 -0.0526 -0.0058 0.0119 603 CLA B CBD +50673 C CGD . CLA JB . ? 0.6127 0.6252 0.6230 -0.0520 -0.0080 0.0101 603 CLA B CGD +50674 O O1D . CLA JB . ? 0.7501 0.7619 0.7596 -0.0509 -0.0106 0.0095 603 CLA B O1D +50675 O O2D . CLA JB . ? 0.7620 0.7817 0.7781 -0.0525 -0.0070 0.0091 603 CLA B O2D +50676 C CED . CLA JB . ? 0.7797 0.8048 0.7994 -0.0507 -0.0096 0.0075 603 CLA B CED +50677 C C1 . CLA JB . ? 0.7469 0.7222 0.7364 -0.0653 -0.0040 0.0143 603 CLA B C1 +50678 C C2 . CLA JB . ? 0.7558 0.7269 0.7427 -0.0671 -0.0011 0.0157 603 CLA B C2 +50679 C C3 . CLA JB . ? 0.6880 0.6539 0.6725 -0.0695 -0.0004 0.0160 603 CLA B C3 +50680 C C4 . CLA JB . ? 0.6859 0.6497 0.6701 -0.0706 -0.0024 0.0150 603 CLA B C4 +50681 C C5 . CLA JB . ? 0.7548 0.7165 0.7363 -0.0708 0.0027 0.0176 603 CLA B C5 +50682 C C6 . CLA JB . ? 0.9015 0.8611 0.8836 -0.0748 0.0043 0.0173 603 CLA B C6 +50683 C C7 . CLA JB . ? 0.9825 0.9392 0.9621 -0.0759 0.0076 0.0189 603 CLA B C7 +50684 C C8 . CLA JB . ? 0.8687 0.8203 0.8465 -0.0794 0.0092 0.0191 603 CLA B C8 +50685 C C9 . CLA JB . ? 0.9745 0.9241 0.9504 -0.0808 0.0128 0.0206 603 CLA B C9 +50686 C C10 . CLA JB . ? 0.8082 0.7523 0.7802 -0.0782 0.0077 0.0198 603 CLA B C10 +50687 C C11 . CLA JB . ? 0.8459 0.7839 0.8153 -0.0814 0.0090 0.0201 603 CLA B C11 +50688 C C12 . CLA JB . ? 0.9342 0.8655 0.8983 -0.0797 0.0071 0.0205 603 CLA B C12 +50689 C C13 . CLA JB . ? 0.9140 0.8390 0.8754 -0.0826 0.0079 0.0206 603 CLA B C13 +50690 C C14 . CLA JB . ? 0.9770 0.8938 0.9315 -0.0805 0.0075 0.0219 603 CLA B C14 +50691 C C15 . CLA JB . ? 0.9223 0.8497 0.8872 -0.0843 0.0059 0.0186 603 CLA B C15 +50692 C C16 . CLA JB . ? 0.8951 0.8153 0.8564 -0.0866 0.0060 0.0186 603 CLA B C16 +50693 C C17 . CLA JB . ? 0.8062 0.7291 0.7720 -0.0906 0.0060 0.0168 603 CLA B C17 +50694 C C18 . CLA JB . ? 1.0945 1.0096 1.0563 -0.0933 0.0067 0.0169 603 CLA B C18 +50695 C C19 . CLA JB . ? 0.9812 0.8960 0.9441 -0.0940 0.0041 0.0151 603 CLA B C19 +50696 C C20 . CLA JB . ? 0.9432 0.8581 0.9066 -0.0976 0.0098 0.0171 603 CLA B C20 +50697 MG MG . CLA KB . ? 0.5735 0.5319 0.5373 -0.0434 -0.0086 0.0205 604 CLA B MG +50698 C CHA . CLA KB . ? 0.6113 0.5822 0.5858 -0.0461 -0.0075 0.0185 604 CLA B CHA +50699 C CHB . CLA KB . ? 0.5790 0.5421 0.5428 -0.0381 -0.0098 0.0204 604 CLA B CHB +50700 C CHC . CLA KB . ? 0.5134 0.4611 0.4676 -0.0409 -0.0087 0.0226 604 CLA B CHC +50701 C CHD . CLA KB . ? 0.6039 0.5557 0.5665 -0.0495 -0.0062 0.0211 604 CLA B CHD +50702 N NA . CLA KB . ? 0.5958 0.5614 0.5639 -0.0421 -0.0086 0.0197 604 CLA B NA +50703 C C1A . CLA KB . ? 0.5936 0.5638 0.5658 -0.0431 -0.0084 0.0189 604 CLA B C1A +50704 C C2A . CLA KB . ? 0.6066 0.5813 0.5811 -0.0412 -0.0090 0.0182 604 CLA B C2A +50705 C C3A . CLA KB . ? 0.6468 0.6185 0.6175 -0.0387 -0.0096 0.0189 604 CLA B C3A +50706 C C4A . CLA KB . ? 0.6186 0.5851 0.5859 -0.0397 -0.0093 0.0197 604 CLA B C4A +50707 C CMA . CLA KB . ? 0.6324 0.6051 0.6031 -0.0369 -0.0118 0.0182 604 CLA B CMA +50708 C CAA . CLA KB . ? 0.6025 0.5811 0.5797 -0.0414 -0.0071 0.0182 604 CLA B CAA +50709 C CBA . CLA KB . ? 0.6209 0.5966 0.5956 -0.0422 -0.0047 0.0195 604 CLA B CBA +50710 C CGA . CLA KB . ? 0.6442 0.6235 0.6210 -0.0420 -0.0027 0.0195 604 CLA B CGA +50711 O O1A . CLA KB . ? 0.7123 0.6961 0.6920 -0.0408 -0.0030 0.0188 604 CLA B O1A +50712 O O2A . CLA KB . ? 0.7085 0.6856 0.6835 -0.0432 -0.0001 0.0206 604 CLA B O2A +50713 N NB . CLA KB . ? 0.6080 0.5640 0.5678 -0.0402 -0.0091 0.0214 604 CLA B NB +50714 C C1B . CLA KB . ? 0.5720 0.5301 0.5322 -0.0383 -0.0097 0.0211 604 CLA B C1B +50715 C C2B . CLA KB . ? 0.6388 0.5939 0.5955 -0.0365 -0.0101 0.0217 604 CLA B C2B +50716 C C3B . CLA KB . ? 0.6076 0.5585 0.5618 -0.0373 -0.0099 0.0224 604 CLA B C3B +50717 C C4B . CLA KB . ? 0.6731 0.6247 0.6293 -0.0396 -0.0092 0.0221 604 CLA B C4B +50718 C CMB . CLA KB . ? 0.5212 0.4772 0.4772 -0.0343 -0.0108 0.0217 604 CLA B CMB +50719 C CAB . CLA KB . ? 0.6811 0.6280 0.6317 -0.0363 -0.0102 0.0230 604 CLA B CAB +50720 C CBB . CLA KB . ? 0.6563 0.6028 0.6058 -0.0346 -0.0113 0.0229 604 CLA B CBB +50721 N NC . CLA KB . ? 0.6134 0.5647 0.5727 -0.0448 -0.0076 0.0217 604 CLA B NC +50722 C C1C . CLA KB . ? 0.5591 0.5065 0.5147 -0.0433 -0.0079 0.0225 604 CLA B C1C +50723 C C2C . CLA KB . ? 0.5689 0.5115 0.5216 -0.0443 -0.0073 0.0232 604 CLA B C2C +50724 C C3C . CLA KB . ? 0.6523 0.5957 0.6072 -0.0469 -0.0065 0.0228 604 CLA B C3C +50725 C C4C . CLA KB . ? 0.5276 0.4768 0.4867 -0.0470 -0.0068 0.0218 604 CLA B C4C +50726 C CMC . CLA KB . ? 0.5850 0.5229 0.5335 -0.0430 -0.0075 0.0240 604 CLA B CMC +50727 C CAC . CLA KB . ? 0.6194 0.5589 0.5727 -0.0490 -0.0055 0.0232 604 CLA B CAC +50728 C CBC . CLA KB . ? 0.6071 0.5430 0.5585 -0.0488 -0.0070 0.0228 604 CLA B CBC +50729 N ND . CLA KB . ? 0.6049 0.5653 0.5722 -0.0470 -0.0072 0.0200 604 CLA B ND +50730 C C1D . CLA KB . ? 0.5114 0.4692 0.4782 -0.0495 -0.0062 0.0202 604 CLA B C1D +50731 C C2D . CLA KB . ? 0.6474 0.6088 0.6183 -0.0519 -0.0054 0.0195 604 CLA B C2D +50732 C C3D . CLA KB . ? 0.5822 0.5492 0.5564 -0.0505 -0.0059 0.0187 604 CLA B C3D +50733 C C4D . CLA KB . ? 0.5915 0.5573 0.5632 -0.0477 -0.0069 0.0192 604 CLA B C4D +50734 C CMD . CLA KB . ? 0.6492 0.6094 0.6210 -0.0551 -0.0043 0.0193 604 CLA B CMD +50735 C CAD . CLA KB . ? 0.6665 0.6399 0.6457 -0.0509 -0.0059 0.0177 604 CLA B CAD +50736 O OBD . CLA KB . ? 0.6743 0.6505 0.6570 -0.0534 -0.0051 0.0170 604 CLA B OBD +50737 C CBD . CLA KB . ? 0.6161 0.5920 0.5954 -0.0479 -0.0068 0.0176 604 CLA B CBD +50738 C CGD . CLA KB . ? 0.6840 0.6641 0.6667 -0.0475 -0.0090 0.0161 604 CLA B CGD +50739 O O1D . CLA KB . ? 0.7087 0.6941 0.6952 -0.0472 -0.0088 0.0154 604 CLA B O1D +50740 O O2D . CLA KB . ? 0.6619 0.6400 0.6435 -0.0474 -0.0112 0.0156 604 CLA B O2D +50741 C CED . CLA KB . ? 0.5986 0.5806 0.5834 -0.0474 -0.0132 0.0141 604 CLA B CED +50742 C C1 . CLA KB . ? 0.7372 0.7176 0.7139 -0.0429 0.0019 0.0206 604 CLA B C1 +50743 C C2 . CLA KB . ? 0.7536 0.7308 0.7280 -0.0446 0.0045 0.0217 604 CLA B C2 +50744 C C3 . CLA KB . ? 1.1245 1.1047 1.1022 -0.0469 0.0065 0.0215 604 CLA B C3 +50745 C C4 . CLA KB . ? 1.1144 1.1014 1.0982 -0.0475 0.0060 0.0200 604 CLA B C4 +50746 C C5 . CLA KB . ? 1.1540 1.1309 1.1292 -0.0488 0.0094 0.0226 604 CLA B C5 +50747 C C6 . CLA KB . ? 0.9185 0.8997 0.8962 -0.0487 0.0119 0.0225 604 CLA B C6 +50748 C C7 . CLA KB . ? 1.0262 1.0037 1.0001 -0.0495 0.0148 0.0238 604 CLA B C7 +50749 C C8 . CLA KB . ? 1.0172 0.9998 0.9951 -0.0508 0.0176 0.0234 604 CLA B C8 +50750 C C9 . CLA KB . ? 1.1208 1.1090 1.1018 -0.0482 0.0171 0.0225 604 CLA B C9 +50751 C C10 . CLA KB . ? 1.0627 1.0413 1.0365 -0.0516 0.0208 0.0248 604 CLA B C10 +50752 C C11 . CLA KB . ? 1.2226 1.2064 1.2004 -0.0530 0.0239 0.0245 604 CLA B C11 +50753 C C12 . CLA KB . ? 1.0723 1.0519 1.0462 -0.0547 0.0274 0.0258 604 CLA B C12 +50754 C C13 . CLA KB . ? 1.3772 1.3623 1.3547 -0.0551 0.0305 0.0254 604 CLA B C13 +50755 C C14 . CLA KB . ? 1.5150 1.5004 1.4900 -0.0516 0.0307 0.0257 604 CLA B C14 +50756 C C15 . CLA KB . ? 1.3713 1.3540 1.3474 -0.0582 0.0342 0.0263 604 CLA B C15 +50757 C C16 . CLA KB . ? 1.7012 1.6910 1.6831 -0.0597 0.0371 0.0254 604 CLA B C16 +50758 C C17 . CLA KB . ? 1.7077 1.7046 1.6976 -0.0612 0.0356 0.0236 604 CLA B C17 +50759 C C18 . CLA KB . ? 1.6967 1.7013 1.6929 -0.0627 0.0386 0.0226 604 CLA B C18 +50760 C C19 . CLA KB . ? 1.2968 1.3080 1.3007 -0.0649 0.0372 0.0209 604 CLA B C19 +50761 C C20 . CLA KB . ? 1.5441 1.5527 1.5411 -0.0592 0.0390 0.0223 604 CLA B C20 +50762 MG MG . CLA LB . ? 0.6122 0.5977 0.5878 -0.0359 0.0034 0.0207 605 CLA B MG +50763 C CHA . CLA LB . ? 0.6326 0.6186 0.6101 -0.0347 -0.0031 0.0190 605 CLA B CHA +50764 C CHB . CLA LB . ? 0.4994 0.5005 0.4880 -0.0359 0.0041 0.0179 605 CLA B CHB +50765 C CHC . CLA LB . ? 0.5907 0.5743 0.5637 -0.0384 0.0105 0.0225 605 CLA B CHC +50766 C CHD . CLA LB . ? 0.5465 0.5166 0.5102 -0.0366 0.0021 0.0231 605 CLA B CHD +50767 N NA . CLA LB . ? 0.6150 0.6072 0.5969 -0.0355 0.0009 0.0188 605 CLA B NA +50768 C C1A . CLA LB . ? 0.5814 0.5731 0.5632 -0.0347 -0.0017 0.0183 605 CLA B C1A +50769 C C2A . CLA LB . ? 0.5873 0.5844 0.5735 -0.0340 -0.0032 0.0169 605 CLA B C2A +50770 C C3A . CLA LB . ? 0.5337 0.5358 0.5236 -0.0342 -0.0010 0.0166 605 CLA B C3A +50771 C C4A . CLA LB . ? 0.6822 0.6804 0.6688 -0.0353 0.0015 0.0179 605 CLA B C4A +50772 C CMA . CLA LB . ? 0.5590 0.5632 0.5488 -0.0309 -0.0014 0.0162 605 CLA B CMA +50773 C CAA . CLA LB . ? 0.5442 0.5424 0.5331 -0.0364 -0.0044 0.0162 605 CLA B CAA +50774 C CBA . CLA LB . ? 0.5725 0.5710 0.5631 -0.0397 -0.0022 0.0165 605 CLA B CBA +50775 C CGA . CLA LB . ? 0.6506 0.6473 0.6416 -0.0423 -0.0031 0.0162 605 CLA B CGA +50776 O O1A . CLA LB . ? 0.6520 0.6486 0.6433 -0.0420 -0.0055 0.0156 605 CLA B O1A +50777 O O2A . CLA LB . ? 0.6617 0.6561 0.6522 -0.0452 -0.0011 0.0169 605 CLA B O2A +50778 N NB . CLA LB . ? 0.6075 0.5991 0.5879 -0.0372 0.0069 0.0203 605 CLA B NB +50779 C C1B . CLA LB . ? 0.6891 0.6871 0.6748 -0.0370 0.0069 0.0191 605 CLA B C1B +50780 C C2B . CLA LB . ? 0.6238 0.6255 0.6123 -0.0381 0.0100 0.0190 605 CLA B C2B +50781 C C3B . CLA LB . ? 0.6388 0.6349 0.6222 -0.0389 0.0119 0.0205 605 CLA B C3B +50782 C C4B . CLA LB . ? 0.6437 0.6339 0.6225 -0.0382 0.0097 0.0211 605 CLA B C4B +50783 C CMB . CLA LB . ? 0.7045 0.7137 0.6992 -0.0383 0.0109 0.0178 605 CLA B CMB +50784 C CAB . CLA LB . ? 0.6120 0.6087 0.5953 -0.0400 0.0155 0.0211 605 CLA B CAB +50785 C CBB . CLA LB . ? 0.8381 0.8298 0.8161 -0.0395 0.0169 0.0223 605 CLA B CBB +50786 N NC . CLA LB . ? 0.6560 0.6342 0.6255 -0.0372 0.0056 0.0225 605 CLA B NC +50787 C C1C . CLA LB . ? 0.5417 0.5199 0.5106 -0.0381 0.0084 0.0231 605 CLA B C1C +50788 C C2C . CLA LB . ? 0.6337 0.6058 0.5973 -0.0386 0.0094 0.0244 605 CLA B C2C +50789 C C3C . CLA LB . ? 0.6382 0.6066 0.5994 -0.0380 0.0068 0.0245 605 CLA B C3C +50790 C C4C . CLA LB . ? 0.6325 0.6051 0.5977 -0.0372 0.0048 0.0233 605 CLA B C4C +50791 C CMC . CLA LB . ? 0.7054 0.6753 0.6665 -0.0395 0.0123 0.0254 605 CLA B CMC +50792 C CAC . CLA LB . ? 0.6231 0.5854 0.5793 -0.0380 0.0062 0.0255 605 CLA B CAC +50793 C CBC . CLA LB . ? 0.5976 0.5583 0.5546 -0.0406 0.0063 0.0256 605 CLA B CBC +50794 N ND . CLA LB . ? 0.5971 0.5764 0.5687 -0.0359 0.0006 0.0211 605 CLA B ND +50795 C C1D . CLA LB . ? 0.5345 0.5081 0.5016 -0.0361 0.0001 0.0220 605 CLA B C1D +50796 C C2D . CLA LB . ? 0.6187 0.5903 0.5848 -0.0357 -0.0023 0.0217 605 CLA B C2D +50797 C C3D . CLA LB . ? 0.5858 0.5624 0.5561 -0.0352 -0.0035 0.0205 605 CLA B C3D +50798 C C4D . CLA LB . ? 0.5095 0.4903 0.4827 -0.0353 -0.0019 0.0202 605 CLA B C4D +50799 C CMD . CLA LB . ? 0.6166 0.5831 0.5790 -0.0356 -0.0036 0.0222 605 CLA B CMD +50800 C CAD . CLA LB . ? 0.5508 0.5296 0.5232 -0.0346 -0.0058 0.0195 605 CLA B CAD +50801 O OBD . CLA LB . ? 0.6509 0.6268 0.6214 -0.0343 -0.0076 0.0195 605 CLA B OBD +50802 C CBD . CLA LB . ? 0.6574 0.6420 0.6342 -0.0341 -0.0057 0.0185 605 CLA B CBD +50803 C CGD . CLA LB . ? 0.6461 0.6315 0.6220 -0.0312 -0.0069 0.0182 605 CLA B CGD +50804 O O1D . CLA LB . ? 0.6756 0.6644 0.6540 -0.0301 -0.0083 0.0173 605 CLA B O1D +50805 O O2D . CLA LB . ? 0.6696 0.6516 0.6415 -0.0294 -0.0065 0.0190 605 CLA B O2D +50806 C CED . CLA LB . ? 0.5654 0.5483 0.5366 -0.0268 -0.0072 0.0187 605 CLA B CED +50807 C C1 . CLA LB . ? 0.6865 0.6785 0.6767 -0.0475 -0.0019 0.0167 605 CLA B C1 +50808 C C2 . CLA LB . ? 0.6675 0.6567 0.6564 -0.0500 0.0008 0.0176 605 CLA B C2 +50809 C C3 . CLA LB . ? 0.8071 0.7945 0.7964 -0.0528 0.0009 0.0175 605 CLA B C3 +50810 C C4 . CLA LB . ? 0.7476 0.7359 0.7387 -0.0535 -0.0017 0.0163 605 CLA B C4 +50811 C C5 . CLA LB . ? 0.7321 0.7162 0.7195 -0.0551 0.0037 0.0185 605 CLA B C5 +50812 C C6 . CLA LB . ? 0.8888 0.8705 0.8765 -0.0583 0.0037 0.0183 605 CLA B C6 +50813 C C7 . CLA LB . ? 0.8425 0.8214 0.8287 -0.0607 0.0068 0.0193 605 CLA B C7 +50814 C C8 . CLA LB . ? 0.7816 0.7543 0.7643 -0.0626 0.0067 0.0198 605 CLA B C8 +50815 C C9 . CLA LB . ? 0.6830 0.6571 0.6685 -0.0639 0.0044 0.0184 605 CLA B C9 +50816 C C10 . CLA LB . ? 0.7589 0.7298 0.7412 -0.0656 0.0099 0.0205 605 CLA B C10 +50817 C C11 . CLA LB . ? 0.8379 0.8029 0.8173 -0.0679 0.0099 0.0209 605 CLA B C11 +50818 C C12 . CLA LB . ? 1.1121 1.0724 1.0879 -0.0695 0.0131 0.0224 605 CLA B C12 +50819 C C13 . CLA LB . ? 0.7453 0.7101 0.7253 -0.0722 0.0160 0.0220 605 CLA B C13 +50820 C C14 . CLA LB . ? 0.9807 0.9417 0.9565 -0.0721 0.0190 0.0237 605 CLA B C14 +50821 C C15 . CLA LB . ? 0.9089 0.8731 0.8912 -0.0762 0.0164 0.0212 605 CLA B C15 +50822 C C16 . CLA LB . ? 0.8332 0.8003 0.8188 -0.0796 0.0197 0.0210 605 CLA B C16 +50823 C C17 . CLA LB . ? 0.8708 0.8475 0.8637 -0.0795 0.0196 0.0195 605 CLA B C17 +50824 C C18 . CLA LB . ? 0.7709 0.7516 0.7689 -0.0837 0.0221 0.0186 605 CLA B C18 +50825 C C19 . CLA LB . ? 0.7370 0.7157 0.7360 -0.0869 0.0210 0.0177 605 CLA B C19 +50826 C C20 . CLA LB . ? 0.8774 0.8680 0.8827 -0.0831 0.0219 0.0171 605 CLA B C20 +50827 MG MG . CLA MB . ? 0.7008 0.7380 0.7213 -0.0410 0.0091 0.0119 606 CLA B MG +50828 C CHA . CLA MB . ? 0.6849 0.7256 0.7037 -0.0311 0.0058 0.0110 606 CLA B CHA +50829 C CHB . CLA MB . ? 0.6020 0.6224 0.6083 -0.0388 0.0047 0.0142 606 CLA B CHB +50830 C CHC . CLA MB . ? 0.6371 0.6668 0.6550 -0.0500 0.0143 0.0138 606 CLA B CHC +50831 C CHD . CLA MB . ? 0.7297 0.7852 0.7648 -0.0426 0.0153 0.0095 606 CLA B CHD +50832 N NA . CLA MB . ? 0.7035 0.7349 0.7171 -0.0361 0.0059 0.0126 606 CLA B NA +50833 C C1A . CLA MB . ? 0.6363 0.6698 0.6502 -0.0327 0.0047 0.0120 606 CLA B C1A +50834 C C2A . CLA MB . ? 0.6822 0.7105 0.6909 -0.0301 0.0021 0.0126 606 CLA B C2A +50835 C C3A . CLA MB . ? 0.5970 0.6193 0.6021 -0.0326 0.0018 0.0135 606 CLA B C3A +50836 C C4A . CLA MB . ? 0.6423 0.6672 0.6509 -0.0361 0.0042 0.0134 606 CLA B C4A +50837 C CMA . CLA MB . ? 0.5578 0.5799 0.5635 -0.0326 -0.0015 0.0128 606 CLA B CMA +50838 C CAA . CLA MB . ? 0.5731 0.5978 0.5771 -0.0274 0.0032 0.0135 606 CLA B CAA +50839 C CBA . CLA MB . ? 0.6451 0.6673 0.6468 -0.0290 0.0065 0.0147 606 CLA B CBA +50840 C CGA . CLA MB . ? 0.6082 0.6224 0.6030 -0.0289 0.0064 0.0161 606 CLA B CGA +50841 O O1A . CLA MB . ? 0.7205 0.7310 0.7125 -0.0281 0.0040 0.0163 606 CLA B O1A +50842 O O2A . CLA MB . ? 0.6599 0.6706 0.6512 -0.0296 0.0091 0.0173 606 CLA B O2A +50843 N NB . CLA MB . ? 0.6336 0.6605 0.6470 -0.0438 0.0093 0.0137 606 CLA B NB +50844 C C1B . CLA MB . ? 0.7348 0.7558 0.7430 -0.0425 0.0072 0.0144 606 CLA B C1B +50845 C C2B . CLA MB . ? 0.6511 0.6655 0.6551 -0.0448 0.0079 0.0157 606 CLA B C2B +50846 C C3B . CLA MB . ? 0.5840 0.6008 0.5912 -0.0481 0.0107 0.0156 606 CLA B C3B +50847 C C4B . CLA MB . ? 0.6543 0.6791 0.6673 -0.0473 0.0114 0.0143 606 CLA B C4B +50848 C CMB . CLA MB . ? 0.6602 0.6675 0.6584 -0.0441 0.0061 0.0166 606 CLA B CMB +50849 C CAB . CLA MB . ? 0.6232 0.6353 0.6279 -0.0514 0.0124 0.0165 606 CLA B CAB +50850 C CBB . CLA MB . ? 1.0576 1.0692 1.0619 -0.0530 0.0158 0.0173 606 CLA B CBB +50851 N NC . CLA MB . ? 0.7761 0.8178 0.8016 -0.0454 0.0137 0.0117 606 CLA B NC +50852 C C1C . CLA MB . ? 0.7463 0.7839 0.7699 -0.0489 0.0156 0.0126 606 CLA B C1C +50853 C C2C . CLA MB . ? 0.7200 0.7616 0.7475 -0.0517 0.0192 0.0124 606 CLA B C2C +50854 C C3C . CLA MB . ? 0.6524 0.7018 0.6852 -0.0495 0.0195 0.0111 606 CLA B C3C +50855 C C4C . CLA MB . ? 0.5973 0.6459 0.6282 -0.0457 0.0159 0.0108 606 CLA B C4C +50856 C CMC . CLA MB . ? 0.6827 0.7210 0.7090 -0.0558 0.0221 0.0133 606 CLA B CMC +50857 C CAC . CLA MB . ? 0.7582 0.8148 0.7968 -0.0508 0.0227 0.0103 606 CLA B CAC +50858 C CBC . CLA MB . ? 0.6532 0.7072 0.6877 -0.0489 0.0256 0.0115 606 CLA B CBC +50859 N ND . CLA MB . ? 0.7034 0.7495 0.7293 -0.0378 0.0103 0.0106 606 CLA B ND +50860 C C1D . CLA MB . ? 0.7700 0.8234 0.8017 -0.0384 0.0126 0.0096 606 CLA B C1D +50861 C C2D . CLA MB . ? 0.7547 0.8130 0.7887 -0.0346 0.0123 0.0087 606 CLA B C2D +50862 C C3D . CLA MB . ? 0.7806 0.8331 0.8088 -0.0316 0.0094 0.0094 606 CLA B C3D +50863 C C4D . CLA MB . ? 0.6898 0.7359 0.7139 -0.0338 0.0085 0.0104 606 CLA B C4D +50864 C CMD . CLA MB . ? 0.6590 0.7253 0.6987 -0.0333 0.0140 0.0075 606 CLA B CMD +50865 C CAD . CLA MB . ? 0.7314 0.7824 0.7566 -0.0274 0.0072 0.0094 606 CLA B CAD +50866 O OBD . CLA MB . ? 0.7420 0.7975 0.7695 -0.0244 0.0073 0.0085 606 CLA B OBD +50867 C CBD . CLA MB . ? 0.7389 0.7823 0.7581 -0.0271 0.0050 0.0104 606 CLA B CBD +50868 C CGD . CLA MB . ? 0.6365 0.6811 0.6565 -0.0249 0.0013 0.0094 606 CLA B CGD +50869 O O1D . CLA MB . ? 0.8217 0.8718 0.8468 -0.0255 -0.0001 0.0081 606 CLA B O1D +50870 O O2D . CLA MB . ? 0.7742 0.8136 0.7887 -0.0220 -0.0007 0.0100 606 CLA B O2D +50871 C CED . CLA MB . ? 0.9137 0.9541 0.9289 -0.0203 -0.0041 0.0091 606 CLA B CED +50872 C C1 . CLA MB . ? 0.6557 0.6593 0.6412 -0.0301 0.0088 0.0185 606 CLA B C1 +50873 C C2 . CLA MB . ? 0.5733 0.5748 0.5560 -0.0304 0.0118 0.0195 606 CLA B C2 +50874 C C3 . CLA MB . ? 0.7821 0.7771 0.7589 -0.0303 0.0121 0.0207 606 CLA B C3 +50875 C C4 . CLA MB . ? 0.6327 0.6226 0.6060 -0.0301 0.0096 0.0212 606 CLA B C4 +50876 C C5 . CLA MB . ? 0.6959 0.6890 0.6699 -0.0305 0.0152 0.0216 606 CLA B C5 +50877 C C6 . CLA MB . ? 0.7226 0.7149 0.6937 -0.0274 0.0156 0.0217 606 CLA B C6 +50878 C C7 . CLA MB . ? 0.8155 0.8060 0.7838 -0.0280 0.0189 0.0226 606 CLA B C7 +50879 C C8 . CLA MB . ? 0.8819 0.8707 0.8465 -0.0251 0.0195 0.0227 606 CLA B C8 +50880 C C9 . CLA MB . ? 0.9403 0.9243 0.9005 -0.0233 0.0168 0.0229 606 CLA B C9 +50881 C C10 . CLA MB . ? 0.9769 0.9629 0.9378 -0.0258 0.0226 0.0237 606 CLA B C10 +50882 C C11 . CLA MB . ? 1.2684 1.2596 1.2326 -0.0254 0.0256 0.0231 606 CLA B C11 +50883 C C12 . CLA MB . ? 1.2629 1.2512 1.2223 -0.0241 0.0280 0.0238 606 CLA B C12 +50884 C C13 . CLA MB . ? 1.5981 1.5882 1.5588 -0.0263 0.0319 0.0242 606 CLA B C13 +50885 C C14 . CLA MB . ? 1.3158 1.3141 1.2839 -0.0267 0.0332 0.0230 606 CLA B C14 +50886 C C15 . CLA MB . ? 1.6765 1.6628 1.6315 -0.0249 0.0343 0.0250 606 CLA B C15 +50887 C C16 . CLA MB . ? 1.4804 1.4587 1.4280 -0.0246 0.0330 0.0261 606 CLA B C16 +50888 C C17 . CLA MB . ? 1.6054 1.5802 1.5472 -0.0223 0.0344 0.0265 606 CLA B C17 +50889 C C18 . CLA MB . ? 1.5462 1.5137 1.4810 -0.0231 0.0348 0.0279 606 CLA B C18 +50890 C C19 . CLA MB . ? 1.3507 1.3157 1.2806 -0.0219 0.0376 0.0284 606 CLA B C19 +50891 C C20 . CLA MB . ? 1.2560 1.2189 1.1873 -0.0219 0.0311 0.0280 606 CLA B C20 +50892 MG MG . CLA NB . ? 0.6068 0.5618 0.5590 -0.0278 -0.0174 0.0196 607 CLA B MG +50893 C CHA . CLA NB . ? 0.6042 0.5575 0.5532 -0.0248 -0.0199 0.0188 607 CLA B CHA +50894 C CHB . CLA NB . ? 0.6649 0.6225 0.6209 -0.0301 -0.0193 0.0181 607 CLA B CHB +50895 C CHC . CLA NB . ? 0.6229 0.5760 0.5754 -0.0309 -0.0147 0.0208 607 CLA B CHC +50896 C CHD . CLA NB . ? 0.5862 0.5368 0.5330 -0.0255 -0.0160 0.0208 607 CLA B CHD +50897 N NA . CLA NB . ? 0.6805 0.6361 0.6331 -0.0274 -0.0193 0.0186 607 CLA B NA +50898 C C1A . CLA NB . ? 0.5840 0.5391 0.5353 -0.0261 -0.0201 0.0184 607 CLA B C1A +50899 C C2A . CLA NB . ? 0.6770 0.6328 0.6288 -0.0260 -0.0215 0.0177 607 CLA B C2A +50900 C C3A . CLA NB . ? 0.6546 0.6120 0.6088 -0.0277 -0.0214 0.0174 607 CLA B C3A +50901 C C4A . CLA NB . ? 0.6509 0.6079 0.6053 -0.0284 -0.0199 0.0181 607 CLA B C4A +50902 C CMA . CLA NB . ? 0.5579 0.5192 0.5148 -0.0274 -0.0220 0.0167 607 CLA B CMA +50903 C CAA . CLA NB . ? 0.5723 0.5248 0.5216 -0.0262 -0.0219 0.0177 607 CLA B CAA +50904 C CBA . CLA NB . ? 0.6217 0.5725 0.5709 -0.0276 -0.0212 0.0180 607 CLA B CBA +50905 C CGA . CLA NB . ? 0.6736 0.6214 0.6206 -0.0276 -0.0213 0.0181 607 CLA B CGA +50906 O O1A . CLA NB . ? 0.6972 0.6437 0.6426 -0.0269 -0.0218 0.0180 607 CLA B O1A +50907 O O2A . CLA NB . ? 0.6907 0.6370 0.6375 -0.0286 -0.0207 0.0184 607 CLA B O2A +50908 N NB . CLA NB . ? 0.6312 0.5869 0.5857 -0.0302 -0.0170 0.0195 607 CLA B NB +50909 C C1B . CLA NB . ? 0.5966 0.5533 0.5525 -0.0310 -0.0179 0.0188 607 CLA B C1B +50910 C C2B . CLA NB . ? 0.6226 0.5786 0.5793 -0.0330 -0.0174 0.0189 607 CLA B C2B +50911 C C3B . CLA NB . ? 0.6313 0.5859 0.5869 -0.0331 -0.0159 0.0197 607 CLA B C3B +50912 C C4B . CLA NB . ? 0.6190 0.5736 0.5733 -0.0314 -0.0159 0.0200 607 CLA B C4B +50913 C CMB . CLA NB . ? 0.5465 0.5031 0.5047 -0.0343 -0.0181 0.0181 607 CLA B CMB +50914 C CAB . CLA NB . ? 0.6770 0.6299 0.6322 -0.0346 -0.0147 0.0203 607 CLA B CAB +50915 C CBB . CLA NB . ? 0.7620 0.7160 0.7192 -0.0364 -0.0143 0.0200 607 CLA B CBB +50916 N NC . CLA NB . ? 0.6504 0.6032 0.6007 -0.0280 -0.0157 0.0206 607 CLA B NC +50917 C C1C . CLA NB . ? 0.6301 0.5822 0.5807 -0.0293 -0.0148 0.0211 607 CLA B C1C +50918 C C2C . CLA NB . ? 0.6148 0.5648 0.5632 -0.0290 -0.0139 0.0218 607 CLA B C2C +50919 C C3C . CLA NB . ? 0.6130 0.5625 0.5599 -0.0274 -0.0144 0.0217 607 CLA B C3C +50920 C C4C . CLA NB . ? 0.6475 0.5987 0.5958 -0.0270 -0.0154 0.0210 607 CLA B C4C +50921 C CMC . CLA NB . ? 0.5798 0.5282 0.5273 -0.0300 -0.0128 0.0225 607 CLA B CMC +50922 C CAC . CLA NB . ? 0.6481 0.5957 0.5925 -0.0264 -0.0141 0.0221 607 CLA B CAC +50923 C CBC . CLA NB . ? 0.6763 0.6215 0.6193 -0.0265 -0.0150 0.0220 607 CLA B CBC +50924 N ND . CLA NB . ? 0.6390 0.5918 0.5881 -0.0258 -0.0177 0.0198 607 CLA B ND +50925 C C1D . CLA NB . ? 0.6123 0.5635 0.5594 -0.0249 -0.0171 0.0202 607 CLA B C1D +50926 C C2D . CLA NB . ? 0.6077 0.5575 0.5529 -0.0236 -0.0177 0.0201 607 CLA B C2D +50927 C C3D . CLA NB . ? 0.5793 0.5300 0.5253 -0.0236 -0.0188 0.0195 607 CLA B C3D +50928 C C4D . CLA NB . ? 0.5912 0.5436 0.5394 -0.0248 -0.0187 0.0194 607 CLA B C4D +50929 C CMD . CLA NB . ? 0.5229 0.4708 0.4658 -0.0226 -0.0175 0.0203 607 CLA B CMD +50930 C CAD . CLA NB . ? 0.5617 0.5119 0.5068 -0.0227 -0.0198 0.0191 607 CLA B CAD +50931 O OBD . CLA NB . ? 0.6324 0.5807 0.5753 -0.0217 -0.0200 0.0191 607 CLA B OBD +50932 C CBD . CLA NB . ? 0.5654 0.5172 0.5122 -0.0234 -0.0206 0.0186 607 CLA B CBD +50933 C CGD . CLA NB . ? 0.6467 0.6004 0.5941 -0.0221 -0.0213 0.0182 607 CLA B CGD +50934 O O1D . CLA NB . ? 0.6272 0.5809 0.5743 -0.0217 -0.0224 0.0178 607 CLA B O1D +50935 O O2D . CLA NB . ? 0.6768 0.6325 0.6251 -0.0210 -0.0208 0.0183 607 CLA B O2D +50936 C CED . CLA NB . ? 0.6997 0.6571 0.6484 -0.0194 -0.0216 0.0178 607 CLA B CED +50937 C C1 . CLA NB . ? 0.7252 0.6691 0.6704 -0.0286 -0.0208 0.0184 607 CLA B C1 +50938 C C2 . CLA NB . ? 0.7096 0.6526 0.6553 -0.0296 -0.0204 0.0186 607 CLA B C2 +50939 C C3 . CLA NB . ? 0.9604 0.9013 0.9049 -0.0297 -0.0202 0.0187 607 CLA B C3 +50940 C C4 . CLA NB . ? 0.8907 0.8305 0.8338 -0.0289 -0.0204 0.0185 607 CLA B C4 +50941 C C5 . CLA NB . ? 0.7647 0.7045 0.7094 -0.0305 -0.0198 0.0189 607 CLA B C5 +50942 C C6 . CLA NB . ? 0.8107 0.7490 0.7544 -0.0301 -0.0193 0.0194 607 CLA B C6 +50943 C C7 . CLA NB . ? 0.7581 0.6944 0.7012 -0.0305 -0.0193 0.0194 607 CLA B C7 +50944 C C8 . CLA NB . ? 0.9187 0.8537 0.8610 -0.0301 -0.0189 0.0200 607 CLA B C8 +50945 C C9 . CLA NB . ? 0.9116 0.8470 0.8533 -0.0291 -0.0189 0.0201 607 CLA B C9 +50946 C C10 . CLA NB . ? 0.9410 0.8739 0.8825 -0.0302 -0.0190 0.0199 607 CLA B C10 +50947 C C11 . CLA NB . ? 0.8786 0.8101 0.8189 -0.0296 -0.0187 0.0205 607 CLA B C11 +50948 C C12 . CLA NB . ? 1.1319 1.0609 1.0713 -0.0294 -0.0189 0.0205 607 CLA B C12 +50949 C C13 . CLA NB . ? 1.0002 0.9276 0.9382 -0.0286 -0.0188 0.0211 607 CLA B C13 +50950 C C14 . CLA NB . ? 0.8983 0.8267 0.8362 -0.0274 -0.0192 0.0209 607 CLA B C14 +50951 C C15 . CLA NB . ? 0.8116 0.7364 0.7485 -0.0284 -0.0190 0.0210 607 CLA B C15 +50952 C C16 . CLA NB . ? 0.7759 0.6983 0.7109 -0.0279 -0.0188 0.0217 607 CLA B C16 +50953 C C17 . CLA NB . ? 0.9457 0.8656 0.8797 -0.0273 -0.0192 0.0214 607 CLA B C17 +50954 C C18 . CLA NB . ? 0.8947 0.8117 0.8264 -0.0265 -0.0191 0.0222 607 CLA B C18 +50955 C C19 . CLA NB . ? 1.0668 0.9813 0.9974 -0.0256 -0.0196 0.0219 607 CLA B C19 +50956 C C20 . CLA NB . ? 1.1053 1.0209 1.0360 -0.0279 -0.0182 0.0230 607 CLA B C20 +50957 MG MG . CLA OB . ? 0.7413 0.6199 0.6642 -0.0688 0.0032 0.0267 608 CLA B MG +50958 C CHA . CLA OB . ? 0.6675 0.5364 0.5823 -0.0717 0.0095 0.0304 608 CLA B CHA +50959 C CHB . CLA OB . ? 0.6704 0.5315 0.5803 -0.0647 0.0016 0.0281 608 CLA B CHB +50960 C CHC . CLA OB . ? 0.6125 0.4985 0.5422 -0.0675 -0.0022 0.0229 608 CLA B CHC +50961 C CHD . CLA OB . ? 0.6501 0.5464 0.5874 -0.0744 0.0054 0.0248 608 CLA B CHD +50962 N NA . CLA OB . ? 0.7149 0.5819 0.6290 -0.0685 0.0051 0.0288 608 CLA B NA +50963 C C1A . CLA OB . ? 0.5924 0.4564 0.5037 -0.0694 0.0074 0.0302 608 CLA B C1A +50964 C C2A . CLA OB . ? 0.7839 0.6392 0.6880 -0.0678 0.0078 0.0317 608 CLA B C2A +50965 C C3A . CLA OB . ? 0.7206 0.5743 0.6237 -0.0653 0.0052 0.0309 608 CLA B C3A +50966 C C4A . CLA OB . ? 0.6542 0.5153 0.5637 -0.0663 0.0039 0.0291 608 CLA B C4A +50967 C CMA . CLA OB . ? 0.6971 0.5520 0.5987 -0.0611 0.0038 0.0315 608 CLA B CMA +50968 C CAA . CLA OB . ? 0.7041 0.5526 0.6049 -0.0712 0.0100 0.0322 608 CLA B CAA +50969 C CBA . CLA OB . ? 0.7075 0.5549 0.6100 -0.0734 0.0090 0.0307 608 CLA B CBA +50970 C CGA . CLA OB . ? 0.6942 0.5491 0.6036 -0.0765 0.0092 0.0291 608 CLA B CGA +50971 O O1A . CLA OB . ? 0.8341 0.6928 0.7465 -0.0787 0.0111 0.0293 608 CLA B O1A +50972 O O2A . CLA OB . ? 0.8040 0.6621 0.7170 -0.0767 0.0070 0.0273 608 CLA B O2A +50973 N NB . CLA OB . ? 0.6712 0.5457 0.5917 -0.0666 0.0003 0.0257 608 CLA B NB +50974 C C1B . CLA OB . ? 0.7033 0.5708 0.6185 -0.0650 -0.0001 0.0263 608 CLA B C1B +50975 C C2B . CLA OB . ? 0.7053 0.5718 0.6201 -0.0633 -0.0023 0.0252 608 CLA B C2B +50976 C C3B . CLA OB . ? 0.6620 0.5359 0.5826 -0.0643 -0.0034 0.0237 608 CLA B C3B +50977 C C4B . CLA OB . ? 0.6110 0.4893 0.5348 -0.0662 -0.0017 0.0241 608 CLA B C4B +50978 C CMB . CLA OB . ? 0.6971 0.5568 0.6069 -0.0611 -0.0032 0.0255 608 CLA B CMB +50979 C CAB . CLA OB . ? 0.7322 0.6090 0.6552 -0.0635 -0.0056 0.0221 608 CLA B CAB +50980 C CBB . CLA OB . ? 0.6844 0.5580 0.6047 -0.0610 -0.0070 0.0219 608 CLA B CBB +50981 N NC . CLA OB . ? 0.6985 0.5873 0.6301 -0.0707 0.0018 0.0244 608 CLA B NC +50982 C C1C . CLA OB . ? 0.6091 0.4997 0.5423 -0.0697 -0.0005 0.0231 608 CLA B C1C +50983 C C2C . CLA OB . ? 0.6526 0.5507 0.5918 -0.0709 -0.0014 0.0216 608 CLA B C2C +50984 C C3C . CLA OB . ? 0.6528 0.5543 0.5946 -0.0728 0.0008 0.0221 608 CLA B C3C +50985 C C4C . CLA OB . ? 0.6631 0.5582 0.5996 -0.0726 0.0027 0.0239 608 CLA B C4C +50986 C CMC . CLA OB . ? 0.7194 0.6209 0.6613 -0.0702 -0.0039 0.0200 608 CLA B CMC +50987 C CAC . CLA OB . ? 0.6849 0.5942 0.6329 -0.0746 0.0010 0.0210 608 CLA B CAC +50988 C CBC . CLA OB . ? 0.7777 0.6919 0.7272 -0.0715 0.0004 0.0214 608 CLA B CBC +50989 N ND . CLA OB . ? 0.6557 0.5378 0.5817 -0.0726 0.0066 0.0273 608 CLA B ND +50990 C C1D . CLA OB . ? 0.6582 0.5479 0.5900 -0.0743 0.0074 0.0265 608 CLA B C1D +50991 C C2D . CLA OB . ? 0.6326 0.5226 0.5641 -0.0757 0.0103 0.0277 608 CLA B C2D +50992 C C3D . CLA OB . ? 0.6535 0.5348 0.5778 -0.0747 0.0112 0.0293 608 CLA B C3D +50993 C C4D . CLA OB . ? 0.5961 0.4736 0.5179 -0.0730 0.0089 0.0289 608 CLA B C4D +50994 C CMD . CLA OB . ? 0.6723 0.5691 0.6087 -0.0774 0.0120 0.0274 608 CLA B CMD +50995 C CAD . CLA OB . ? 0.6886 0.5635 0.6072 -0.0747 0.0135 0.0312 608 CLA B CAD +50996 O OBD . CLA OB . ? 0.7586 0.6347 0.6774 -0.0761 0.0160 0.0320 608 CLA B OBD +50997 C CBD . CLA OB . ? 0.7254 0.5922 0.6377 -0.0728 0.0124 0.0319 608 CLA B CBD +50998 C CGD . CLA OB . ? 0.7316 0.5955 0.6392 -0.0693 0.0123 0.0334 608 CLA B CGD +50999 O O1D . CLA OB . ? 0.8686 0.7362 0.7774 -0.0663 0.0106 0.0332 608 CLA B O1D +51000 O O2D . CLA OB . ? 0.8087 0.6651 0.7100 -0.0695 0.0142 0.0351 608 CLA B O2D +51001 C CED . CLA OB . ? 0.8690 0.7235 0.7663 -0.0659 0.0138 0.0364 608 CLA B CED +51002 C C1 . CLA OB . ? 0.9314 0.7972 0.8511 -0.0791 0.0068 0.0258 608 CLA B C1 +51003 C C2 . CLA OB . ? 0.8608 0.7252 0.7817 -0.0814 0.0057 0.0242 608 CLA B C2 +51004 C C3 . CLA OB . ? 0.9112 0.7792 0.8348 -0.0801 0.0032 0.0228 608 CLA B C3 +51005 C C4 . CLA OB . ? 0.8827 0.7561 0.8082 -0.0764 0.0014 0.0227 608 CLA B C4 +51006 C C5 . CLA OB . ? 0.7900 0.6564 0.7145 -0.0825 0.0021 0.0211 608 CLA B C5 +51007 C C6 . CLA OB . ? 0.8936 0.7679 0.8249 -0.0851 0.0017 0.0195 608 CLA B C6 +51008 C C7 . CLA OB . ? 0.8055 0.6785 0.7377 -0.0873 0.0003 0.0176 608 CLA B C7 +51009 C C8 . CLA OB . ? 0.8995 0.7808 0.8386 -0.0897 -0.0003 0.0159 608 CLA B C8 +51010 C C9 . CLA OB . ? 0.7752 0.6591 0.7174 -0.0932 0.0023 0.0163 608 CLA B C9 +51011 C C10 . CLA OB . ? 0.9167 0.7969 0.8566 -0.0916 -0.0021 0.0139 608 CLA B C10 +51012 C C11 . CLA OB . ? 0.9415 0.8304 0.8884 -0.0935 -0.0032 0.0122 608 CLA B C11 +51013 C C12 . CLA OB . ? 0.8466 0.7361 0.7946 -0.0939 -0.0058 0.0101 608 CLA B C12 +51014 C C13 . CLA OB . ? 1.0196 0.9184 0.9745 -0.0950 -0.0070 0.0085 608 CLA B C13 +51015 C C14 . CLA OB . ? 1.1074 1.0087 1.0663 -0.0997 -0.0054 0.0077 608 CLA B C14 +51016 C C15 . CLA OB . ? 0.9336 0.8340 0.8893 -0.0940 -0.0101 0.0066 608 CLA B C15 +51017 C C16 . CLA OB . ? 0.9168 0.8268 0.8785 -0.0932 -0.0117 0.0055 608 CLA B C16 +51018 C C17 . CLA OB . ? 0.9331 0.8441 0.8936 -0.0895 -0.0144 0.0050 608 CLA B C17 +51019 C C18 . CLA OB . ? 0.9196 0.8394 0.8855 -0.0887 -0.0161 0.0038 608 CLA B C18 +51020 C C19 . CLA OB . ? 0.9087 0.8302 0.8769 -0.0907 -0.0184 0.0014 608 CLA B C19 +51021 C C20 . CLA OB . ? 0.8439 0.7654 0.8086 -0.0842 -0.0175 0.0044 608 CLA B C20 +51022 MG MG . CLA PB . ? 0.7390 0.6595 0.6996 -0.1030 0.0359 0.0270 609 CLA B MG +51023 C CHA . CLA PB . ? 0.8347 0.7298 0.7767 -0.1059 0.0399 0.0309 609 CLA B CHA +51024 C CHB . CLA PB . ? 0.7339 0.6468 0.6836 -0.0922 0.0300 0.0290 609 CLA B CHB +51025 C CHC . CLA PB . ? 0.6281 0.5714 0.6060 -0.1001 0.0303 0.0226 609 CLA B CHC +51026 C CHD . CLA PB . ? 0.9492 0.8769 0.9222 -0.1159 0.0412 0.0240 609 CLA B CHD +51027 N NA . CLA PB . ? 0.7859 0.6928 0.7343 -0.0996 0.0349 0.0295 609 CLA B NA +51028 C C1A . CLA PB . ? 0.8365 0.7345 0.7784 -0.1008 0.0368 0.0310 609 CLA B C1A +51029 C C2A . CLA PB . ? 0.8308 0.7210 0.7645 -0.0969 0.0357 0.0327 609 CLA B C2A +51030 C C3A . CLA PB . ? 0.8052 0.7016 0.7418 -0.0928 0.0327 0.0320 609 CLA B C3A +51031 C C4A . CLA PB . ? 0.7245 0.6305 0.6700 -0.0950 0.0325 0.0300 609 CLA B C4A +51032 C CMA . CLA PB . ? 0.6738 0.5709 0.6079 -0.0900 0.0340 0.0334 609 CLA B CMA +51033 C CAA . CLA PB . ? 0.7367 0.6190 0.6658 -0.0970 0.0339 0.0328 609 CLA B CAA +51034 C CBA . CLA PB . ? 0.6988 0.5854 0.6325 -0.0963 0.0302 0.0309 609 CLA B CBA +51035 C CGA . CLA PB . ? 0.7352 0.6141 0.6645 -0.0965 0.0285 0.0308 609 CLA B CGA +51036 O O1A . CLA PB . ? 0.8558 0.7261 0.7788 -0.0972 0.0300 0.0321 609 CLA B O1A +51037 O O2A . CLA PB . ? 0.8270 0.7086 0.7595 -0.0957 0.0251 0.0291 609 CLA B O2A +51038 N NB . CLA PB . ? 0.8106 0.7375 0.7738 -0.0971 0.0310 0.0260 609 CLA B NB +51039 C C1B . CLA PB . ? 0.7136 0.6363 0.6717 -0.0932 0.0290 0.0270 609 CLA B C1B +51040 C C2B . CLA PB . ? 0.9173 0.8458 0.8787 -0.0898 0.0257 0.0260 609 CLA B C2B +51041 C C3B . CLA PB . ? 0.7184 0.6557 0.6880 -0.0919 0.0257 0.0241 609 CLA B C3B +51042 C C4B . CLA PB . ? 0.7198 0.6556 0.6901 -0.0965 0.0291 0.0242 609 CLA B C4B +51043 C CMB . CLA PB . ? 0.6744 0.6006 0.6321 -0.0853 0.0230 0.0266 609 CLA B CMB +51044 C CAB . CLA PB . ? 0.7255 0.6707 0.7005 -0.0898 0.0229 0.0226 609 CLA B CAB +51045 C CBB . CLA PB . ? 0.8569 0.8105 0.8387 -0.0908 0.0235 0.0213 609 CLA B CBB +51046 N NC . CLA PB . ? 0.8000 0.7330 0.7729 -0.1070 0.0358 0.0240 609 CLA B NC +51047 C C1C . CLA PB . ? 0.8008 0.7424 0.7798 -0.1051 0.0332 0.0224 609 CLA B C1C +51048 C C2C . CLA PB . ? 0.7601 0.7100 0.7476 -0.1085 0.0336 0.0203 609 CLA B C2C +51049 C C3C . CLA PB . ? 0.8775 0.8229 0.8637 -0.1133 0.0368 0.0207 609 CLA B C3C +51050 C C4C . CLA PB . ? 0.8080 0.7428 0.7848 -0.1119 0.0379 0.0230 609 CLA B C4C +51051 C CMC . CLA PB . ? 0.7224 0.6826 0.7178 -0.1075 0.0311 0.0182 609 CLA B CMC +51052 C CAC . CLA PB . ? 0.7950 0.7451 0.7876 -0.1185 0.0386 0.0191 609 CLA B CAC +51053 C CBC . CLA PB . ? 0.7796 0.7339 0.7745 -0.1196 0.0426 0.0197 609 CLA B CBC +51054 N ND . CLA PB . ? 0.8525 0.7661 0.8110 -0.1095 0.0396 0.0273 609 CLA B ND +51055 C C1D . CLA PB . ? 0.7864 0.7028 0.7497 -0.1147 0.0419 0.0262 609 CLA B C1D +51056 C C2D . CLA PB . ? 0.9788 0.8863 0.9368 -0.1183 0.0449 0.0273 609 CLA B C2D +51057 C C3D . CLA PB . ? 0.9443 0.8428 0.8933 -0.1145 0.0440 0.0294 609 CLA B C3D +51058 C C4D . CLA PB . ? 0.8403 0.7433 0.7905 -0.1098 0.0410 0.0291 609 CLA B C4D +51059 C CMD . CLA PB . ? 0.8692 0.7757 0.8293 -0.1241 0.0479 0.0268 609 CLA B CMD +51060 C CAD . CLA PB . ? 0.8264 0.7133 0.7657 -0.1136 0.0449 0.0315 609 CLA B CAD +51061 O OBD . CLA PB . ? 0.9047 0.7844 0.8399 -0.1170 0.0475 0.0323 609 CLA B OBD +51062 C CBD . CLA PB . ? 0.8036 0.6883 0.7384 -0.1081 0.0423 0.0325 609 CLA B CBD +51063 C CGD . CLA PB . ? 0.7895 0.6719 0.7199 -0.1068 0.0452 0.0344 609 CLA B CGD +51064 O O1D . CLA PB . ? 0.7921 0.6674 0.7152 -0.1039 0.0450 0.0361 609 CLA B O1D +51065 O O2D . CLA PB . ? 0.8225 0.7117 0.7579 -0.1088 0.0483 0.0342 609 CLA B O2D +51066 C CED . CLA PB . ? 0.7750 0.6621 0.7061 -0.1074 0.0511 0.0359 609 CLA B CED +51067 C C1 . CLA PB . ? 0.8033 0.6775 0.7312 -0.0952 0.0234 0.0291 609 CLA B C1 +51068 C C2 . CLA PB . ? 0.7719 0.6497 0.7022 -0.0923 0.0196 0.0278 609 CLA B C2 +51069 C C3 . CLA PB . ? 0.8174 0.6921 0.7437 -0.0882 0.0176 0.0284 609 CLA B C3 +51070 C C4 . CLA PB . ? 0.7826 0.6502 0.7017 -0.0859 0.0187 0.0305 609 CLA B C4 +51071 C C5 . CLA PB . ? 0.8166 0.6951 0.7454 -0.0856 0.0140 0.0271 609 CLA B C5 +51072 C C6 . CLA PB . ? 0.7747 0.6589 0.7097 -0.0880 0.0127 0.0250 609 CLA B C6 +51073 C C7 . CLA PB . ? 0.8704 0.7564 0.8061 -0.0849 0.0093 0.0239 609 CLA B C7 +51074 C C8 . CLA PB . ? 0.8867 0.7791 0.8286 -0.0866 0.0076 0.0218 609 CLA B C8 +51075 C C9 . CLA PB . ? 0.8034 0.6926 0.7455 -0.0908 0.0084 0.0209 609 CLA B C9 +51076 C C10 . CLA PB . ? 0.9503 0.8434 0.8918 -0.0833 0.0045 0.0210 609 CLA B C10 +51077 C C11 . CLA PB . ? 0.8650 0.7643 0.8119 -0.0842 0.0024 0.0189 609 CLA B C11 +51078 C C12 . CLA PB . ? 0.8024 0.7001 0.7472 -0.0811 -0.0004 0.0184 609 CLA B C12 +51079 C C13 . CLA PB . ? 0.8358 0.7368 0.7841 -0.0822 -0.0026 0.0163 609 CLA B C13 +51080 C C14 . CLA PB . ? 0.7975 0.6967 0.7435 -0.0790 -0.0051 0.0159 609 CLA B C14 +51081 C C15 . CLA PB . ? 0.7887 0.6988 0.7435 -0.0828 -0.0030 0.0153 609 CLA B C15 +51082 C C16 . CLA PB . ? 0.9519 0.8649 0.9101 -0.0845 -0.0050 0.0132 609 CLA B C16 +51083 C C17 . CLA PB . ? 0.9006 0.8220 0.8653 -0.0862 -0.0049 0.0121 609 CLA B C17 +51084 C C18 . CLA PB . ? 1.0191 0.9426 0.9868 -0.0883 -0.0069 0.0099 609 CLA B C18 +51085 C C19 . CLA PB . ? 1.0955 1.0192 1.0619 -0.0852 -0.0099 0.0092 609 CLA B C19 +51086 C C20 . CLA PB . ? 1.0745 1.0061 1.0490 -0.0905 -0.0068 0.0086 609 CLA B C20 +51087 MG MG . CLA QB . ? 0.7563 0.6661 0.6940 -0.0752 0.0228 0.0318 610 CLA B MG +51088 C CHA . CLA QB . ? 0.6439 0.5691 0.5891 -0.0704 0.0227 0.0309 610 CLA B CHA +51089 C CHB . CLA QB . ? 0.6773 0.5992 0.6275 -0.0758 0.0170 0.0276 610 CLA B CHB +51090 C CHC . CLA QB . ? 0.7421 0.6364 0.6724 -0.0805 0.0239 0.0324 610 CLA B CHC +51091 C CHD . CLA QB . ? 0.7501 0.6480 0.6745 -0.0752 0.0300 0.0361 610 CLA B CHD +51092 N NA . CLA QB . ? 0.8334 0.7550 0.7799 -0.0736 0.0204 0.0297 610 CLA B NA +51093 C C1A . CLA QB . ? 0.7503 0.6768 0.6988 -0.0714 0.0203 0.0296 610 CLA B C1A +51094 C C2A . CLA QB . ? 0.7613 0.6947 0.7152 -0.0701 0.0178 0.0280 610 CLA B C2A +51095 C C3A . CLA QB . ? 0.7460 0.6784 0.7014 -0.0720 0.0162 0.0270 610 CLA B C3A +51096 C C4A . CLA QB . ? 0.6709 0.5958 0.6214 -0.0739 0.0180 0.0282 610 CLA B C4A +51097 C CMA . CLA QB . ? 0.6990 0.6381 0.6611 -0.0748 0.0171 0.0256 610 CLA B CMA +51098 C CAA . CLA QB . ? 0.7682 0.7001 0.7192 -0.0662 0.0151 0.0283 610 CLA B CAA +51099 C CBA . CLA QB . ? 0.7160 0.6542 0.6720 -0.0649 0.0126 0.0267 610 CLA B CBA +51100 C CGA . CLA QB . ? 0.7541 0.6965 0.7113 -0.0627 0.0131 0.0269 610 CLA B CGA +51101 O O1A . CLA QB . ? 1.1037 1.0432 1.0569 -0.0615 0.0144 0.0281 610 CLA B O1A +51102 O O2A . CLA QB . ? 0.9450 0.8948 0.9075 -0.0619 0.0122 0.0256 610 CLA B O2A +51103 N NB . CLA QB . ? 0.7007 0.6094 0.6410 -0.0779 0.0207 0.0302 610 CLA B NB +51104 C C1B . CLA QB . ? 0.7091 0.6232 0.6546 -0.0779 0.0185 0.0285 610 CLA B C1B +51105 C C2B . CLA QB . ? 0.7279 0.6395 0.6740 -0.0804 0.0176 0.0276 610 CLA B C2B +51106 C C3B . CLA QB . ? 0.7455 0.6488 0.6857 -0.0819 0.0197 0.0290 610 CLA B C3B +51107 C C4B . CLA QB . ? 0.7313 0.6335 0.6683 -0.0801 0.0215 0.0306 610 CLA B C4B +51108 C CMB . CLA QB . ? 0.6862 0.6020 0.6372 -0.0812 0.0151 0.0256 610 CLA B CMB +51109 C CAB . CLA QB . ? 0.7572 0.6546 0.6952 -0.0845 0.0198 0.0288 610 CLA B CAB +51110 C CBB . CLA QB . ? 0.7859 0.6749 0.7174 -0.0835 0.0196 0.0299 610 CLA B CBB +51111 N NC . CLA QB . ? 0.8168 0.7157 0.7463 -0.0775 0.0263 0.0339 610 CLA B NC +51112 C C1C . CLA QB . ? 0.7854 0.6786 0.7126 -0.0795 0.0262 0.0339 610 CLA B C1C +51113 C C2C . CLA QB . ? 0.9324 0.8173 0.8529 -0.0807 0.0289 0.0357 610 CLA B C2C +51114 C C3C . CLA QB . ? 0.8728 0.7590 0.7916 -0.0792 0.0307 0.0368 610 CLA B C3C +51115 C C4C . CLA QB . ? 0.6754 0.5704 0.6003 -0.0772 0.0289 0.0355 610 CLA B C4C +51116 C CMC . CLA QB . ? 0.8100 0.6869 0.7262 -0.0830 0.0296 0.0362 610 CLA B CMC +51117 C CAC . CLA QB . ? 0.6802 0.5603 0.5927 -0.0794 0.0338 0.0387 610 CLA B CAC +51118 C CBC . CLA QB . ? 0.8881 0.7607 0.7931 -0.0760 0.0321 0.0400 610 CLA B CBC +51119 N ND . CLA QB . ? 0.7165 0.6277 0.6521 -0.0736 0.0258 0.0332 610 CLA B ND +51120 C C1D . CLA QB . ? 0.7286 0.6350 0.6588 -0.0735 0.0285 0.0349 610 CLA B C1D +51121 C C2D . CLA QB . ? 0.6826 0.5926 0.6132 -0.0716 0.0296 0.0352 610 CLA B C2D +51122 C C3D . CLA QB . ? 0.5852 0.5032 0.5223 -0.0704 0.0272 0.0336 610 CLA B C3D +51123 C C4D . CLA QB . ? 0.6702 0.5881 0.6095 -0.0716 0.0252 0.0325 610 CLA B C4D +51124 C CMD . CLA QB . ? 0.6996 0.6068 0.6255 -0.0708 0.0323 0.0367 610 CLA B CMD +51125 C CAD . CLA QB . ? 0.5981 0.5235 0.5398 -0.0684 0.0261 0.0326 610 CLA B CAD +51126 O OBD . CLA QB . ? 0.6735 0.6006 0.6143 -0.0668 0.0275 0.0331 610 CLA B OBD +51127 C CBD . CLA QB . ? 0.6588 0.5888 0.6056 -0.0683 0.0233 0.0309 610 CLA B CBD +51128 C CGD . CLA QB . ? 0.7516 0.6897 0.7056 -0.0701 0.0243 0.0296 610 CLA B CGD +51129 O O1D . CLA QB . ? 0.8387 0.7824 0.7960 -0.0681 0.0233 0.0288 610 CLA B O1D +51130 O O2D . CLA QB . ? 0.8062 0.7457 0.7634 -0.0741 0.0266 0.0292 610 CLA B O2D +51131 C CED . CLA QB . ? 0.7824 0.7303 0.7467 -0.0753 0.0273 0.0278 610 CLA B CED +51132 C C1 . CLA QB . ? 0.6855 0.6379 0.6479 -0.0598 0.0131 0.0260 610 CLA B C1 +51133 C C2 . CLA QB . ? 0.7108 0.6680 0.6773 -0.0618 0.0158 0.0257 610 CLA B C2 +51134 C C3 . CLA QB . ? 0.7373 0.7013 0.7085 -0.0608 0.0156 0.0247 610 CLA B C3 +51135 C C4 . CLA QB . ? 0.8272 0.7939 0.7995 -0.0577 0.0127 0.0239 610 CLA B C4 +51136 C C5 . CLA QB . ? 0.6923 0.6613 0.6677 -0.0628 0.0184 0.0242 610 CLA B C5 +51137 C C6 . CLA QB . ? 0.7224 0.6932 0.6970 -0.0608 0.0201 0.0248 610 CLA B C6 +51138 C C7 . CLA QB . ? 0.7935 0.7572 0.7610 -0.0599 0.0214 0.0266 610 CLA B C7 +51139 C C8 . CLA QB . ? 0.8284 0.7886 0.7941 -0.0631 0.0245 0.0275 610 CLA B C8 +51140 C C9 . CLA QB . ? 0.7344 0.7005 0.7049 -0.0649 0.0274 0.0269 610 CLA B C9 +51141 C C10 . CLA QB . ? 0.8333 0.7865 0.7916 -0.0617 0.0257 0.0292 610 CLA B C10 +51142 C C11 . CLA QB . ? 0.6665 0.6140 0.6202 -0.0600 0.0228 0.0298 610 CLA B C11 +51143 C C12 . CLA QB . ? 0.7672 0.7068 0.7138 -0.0601 0.0243 0.0315 610 CLA B C12 +51144 C C13 . CLA QB . ? 0.7085 0.6430 0.6505 -0.0576 0.0215 0.0320 610 CLA B C13 +51145 C C14 . CLA QB . ? 0.6353 0.5712 0.5803 -0.0577 0.0186 0.0308 610 CLA B C14 +51146 C C15 . CLA QB . ? 0.7607 0.6873 0.6962 -0.0582 0.0227 0.0335 610 CLA B C15 +51147 C C16 . CLA QB . ? 0.9152 0.8374 0.8448 -0.0552 0.0220 0.0346 610 CLA B C16 +51148 C C17 . CLA QB . ? 0.8020 0.7163 0.7255 -0.0549 0.0213 0.0357 610 CLA B C17 +51149 C C18 . CLA QB . ? 0.8352 0.7447 0.7554 -0.0574 0.0243 0.0368 610 CLA B C18 +51150 C C19 . CLA QB . ? 0.9445 0.8462 0.8568 -0.0557 0.0243 0.0384 610 CLA B C19 +51151 C C20 . CLA QB . ? 0.8806 0.7890 0.8028 -0.0603 0.0242 0.0364 610 CLA B C20 +51152 MG MG . CLA RB . ? 0.6570 0.5508 0.5689 -0.0390 -0.0033 0.0326 611 CLA B MG +51153 C CHA . CLA RB . ? 0.6537 0.5369 0.5544 -0.0333 -0.0057 0.0343 611 CLA B CHA +51154 C CHB . CLA RB . ? 0.6957 0.5902 0.6041 -0.0390 0.0005 0.0345 611 CLA B CHB +51155 C CHC . CLA RB . ? 0.6052 0.5115 0.5286 -0.0427 -0.0026 0.0305 611 CLA B CHC +51156 C CHD . CLA RB . ? 0.5958 0.4898 0.5109 -0.0374 -0.0078 0.0303 611 CLA B CHD +51157 N NA . CLA RB . ? 0.6462 0.5359 0.5520 -0.0367 -0.0028 0.0341 611 CLA B NA +51158 C C1A . CLA RB . ? 0.6083 0.4936 0.5097 -0.0347 -0.0037 0.0347 611 CLA B C1A +51159 C C2A . CLA RB . ? 0.6484 0.5307 0.5452 -0.0337 -0.0028 0.0359 611 CLA B C2A +51160 C C3A . CLA RB . ? 0.8061 0.6918 0.7054 -0.0357 -0.0007 0.0360 611 CLA B C3A +51161 C C4A . CLA RB . ? 0.6756 0.5659 0.5805 -0.0373 -0.0010 0.0348 611 CLA B C4A +51162 C CMA . CLA RB . ? 0.7032 0.5844 0.5992 -0.0376 0.0018 0.0372 611 CLA B CMA +51163 C CAA . CLA RB . ? 0.6116 0.4953 0.5076 -0.0308 -0.0047 0.0356 611 CLA B CAA +51164 C CBA . CLA RB . ? 0.5759 0.4659 0.4772 -0.0305 -0.0060 0.0343 611 CLA B CBA +51165 C CGA . CLA RB . ? 0.7188 0.6107 0.6199 -0.0281 -0.0078 0.0339 611 CLA B CGA +51166 O O1A . CLA RB . ? 0.7394 0.6289 0.6367 -0.0265 -0.0081 0.0345 611 CLA B O1A +51167 O O2A . CLA RB . ? 0.7177 0.6143 0.6231 -0.0276 -0.0094 0.0326 611 CLA B O2A +51168 N NB . CLA RB . ? 0.6133 0.5131 0.5289 -0.0408 -0.0012 0.0326 611 CLA B NB +51169 C C1B . CLA RB . ? 0.6153 0.5149 0.5292 -0.0408 0.0005 0.0334 611 CLA B C1B +51170 C C2B . CLA RB . ? 0.5999 0.5044 0.5175 -0.0425 0.0023 0.0331 611 CLA B C2B +51171 C C3B . CLA RB . ? 0.6292 0.5370 0.5513 -0.0434 0.0009 0.0318 611 CLA B C3B +51172 C C4B . CLA RB . ? 0.5410 0.4455 0.4613 -0.0423 -0.0010 0.0316 611 CLA B C4B +51173 C CMB . CLA RB . ? 0.7732 0.6792 0.6904 -0.0431 0.0048 0.0338 611 CLA B CMB +51174 C CAB . CLA RB . ? 0.5518 0.4652 0.4794 -0.0450 0.0011 0.0308 611 CLA B CAB +51175 C CBB . CLA RB . ? 0.7271 0.6429 0.6567 -0.0469 0.0031 0.0308 611 CLA B CBB +51176 N NC . CLA RB . ? 0.6474 0.5463 0.5653 -0.0400 -0.0049 0.0308 611 CLA B NC +51177 C C1C . CLA RB . ? 0.6127 0.5164 0.5348 -0.0415 -0.0044 0.0301 611 CLA B C1C +51178 C C2C . CLA RB . ? 0.6174 0.5236 0.5428 -0.0418 -0.0059 0.0288 611 CLA B C2C +51179 C C3C . CLA RB . ? 0.5970 0.4993 0.5197 -0.0402 -0.0073 0.0288 611 CLA B C3C +51180 C C4C . CLA RB . ? 0.5868 0.4850 0.5052 -0.0392 -0.0066 0.0301 611 CLA B C4C +51181 C CMC . CLA RB . ? 0.5730 0.4843 0.5032 -0.0431 -0.0062 0.0277 611 CLA B CMC +51182 C CAC . CLA RB . ? 0.5984 0.5009 0.5223 -0.0397 -0.0089 0.0278 611 CLA B CAC +51183 C CBC . CLA RB . ? 0.7114 0.6168 0.6364 -0.0374 -0.0104 0.0273 611 CLA B CBC +51184 N ND . CLA RB . ? 0.6462 0.5363 0.5555 -0.0363 -0.0060 0.0323 611 CLA B ND +51185 C C1D . CLA RB . ? 0.6072 0.4973 0.5179 -0.0357 -0.0076 0.0314 611 CLA B C1D +51186 C C2D . CLA RB . ? 0.6309 0.5171 0.5382 -0.0334 -0.0089 0.0316 611 CLA B C2D +51187 C C3D . CLA RB . ? 0.6186 0.5022 0.5221 -0.0325 -0.0082 0.0328 611 CLA B C3D +51188 C C4D . CLA RB . ? 0.5672 0.4532 0.4720 -0.0342 -0.0065 0.0331 611 CLA B C4D +51189 C CMD . CLA RB . ? 0.6301 0.5149 0.5373 -0.0321 -0.0106 0.0308 611 CLA B CMD +51190 C CAD . CLA RB . ? 0.6675 0.5468 0.5661 -0.0303 -0.0087 0.0337 611 CLA B CAD +51191 O OBD . CLA RB . ? 0.7144 0.5911 0.6109 -0.0282 -0.0102 0.0336 611 CLA B OBD +51192 C CBD . CLA RB . ? 0.6329 0.5118 0.5294 -0.0307 -0.0071 0.0347 611 CLA B CBD +51193 C CGD . CLA RB . ? 0.6878 0.5599 0.5789 -0.0310 -0.0059 0.0360 611 CLA B CGD +51194 O O1D . CLA RB . ? 0.7188 0.5884 0.6096 -0.0331 -0.0047 0.0362 611 CLA B O1D +51195 O O2D . CLA RB . ? 0.7670 0.6353 0.6530 -0.0289 -0.0061 0.0370 611 CLA B O2D +51196 C CED . CLA RB . ? 0.7088 0.5699 0.5891 -0.0289 -0.0053 0.0382 611 CLA B CED +51197 C C1 . CLA RB . ? 0.6395 0.5378 0.5449 -0.0256 -0.0111 0.0321 611 CLA B C1 +51198 C C2 . CLA RB . ? 0.6874 0.5904 0.5975 -0.0258 -0.0121 0.0308 611 CLA B C2 +51199 C C3 . CLA RB . ? 0.7718 0.6774 0.6830 -0.0245 -0.0134 0.0301 611 CLA B C3 +51200 C C4 . CLA RB . ? 0.6855 0.5896 0.5934 -0.0227 -0.0140 0.0305 611 CLA B C4 +51201 C C5 . CLA RB . ? 0.6639 0.5737 0.5794 -0.0247 -0.0143 0.0290 611 CLA B C5 +51202 C C6 . CLA RB . ? 0.6341 0.5449 0.5523 -0.0263 -0.0138 0.0286 611 CLA B C6 +51203 C C7 . CLA RB . ? 0.8076 0.7228 0.7296 -0.0267 -0.0143 0.0276 611 CLA B C7 +51204 C C8 . CLA RB . ? 0.7826 0.6992 0.7074 -0.0282 -0.0140 0.0271 611 CLA B C8 +51205 C C9 . CLA RB . ? 0.8318 0.7460 0.7560 -0.0280 -0.0147 0.0270 611 CLA B C9 +51206 C C10 . CLA RB . ? 0.8894 0.8100 0.8175 -0.0283 -0.0145 0.0262 611 CLA B C10 +51207 C C11 . CLA RB . ? 0.8695 0.7924 0.7983 -0.0286 -0.0137 0.0264 611 CLA B C11 +51208 C C12 . CLA RB . ? 0.8808 0.8049 0.8111 -0.0302 -0.0123 0.0266 611 CLA B C12 +51209 C C13 . CLA RB . ? 0.8935 0.8207 0.8252 -0.0301 -0.0118 0.0264 611 CLA B C13 +51210 C C14 . CLA RB . ? 0.8235 0.7497 0.7526 -0.0288 -0.0117 0.0268 611 CLA B C14 +51211 C C15 . CLA RB . ? 0.7799 0.7086 0.7131 -0.0316 -0.0102 0.0266 611 CLA B C15 +51212 C C16 . CLA RB . ? 0.7433 0.6741 0.6796 -0.0329 -0.0105 0.0259 611 CLA B C16 +51213 C C17 . CLA RB . ? 0.7799 0.7115 0.7173 -0.0346 -0.0089 0.0262 611 CLA B C17 +51214 C C18 . CLA RB . ? 0.8507 0.7831 0.7904 -0.0362 -0.0092 0.0256 611 CLA B C18 +51215 C C19 . CLA RB . ? 0.9867 0.9232 0.9296 -0.0360 -0.0100 0.0247 611 CLA B C19 +51216 C C20 . CLA RB . ? 0.8868 0.8187 0.8270 -0.0382 -0.0075 0.0260 611 CLA B C20 +51217 MG MG . CLA SB . ? 0.7336 0.6408 0.6495 -0.0437 0.0082 0.0347 612 CLA B MG +51218 C CHA . CLA SB . ? 0.6287 0.5461 0.5570 -0.0500 0.0107 0.0328 612 CLA B CHA +51219 C CHB . CLA SB . ? 0.7002 0.6190 0.6238 -0.0404 0.0050 0.0325 612 CLA B CHB +51220 C CHC . CLA SB . ? 0.5533 0.4512 0.4579 -0.0378 0.0051 0.0362 612 CLA B CHC +51221 C CHD . CLA SB . ? 0.6580 0.5511 0.5645 -0.0479 0.0125 0.0374 612 CLA B CHD +51222 N NA . CLA SB . ? 0.7353 0.6518 0.6597 -0.0448 0.0079 0.0330 612 CLA B NA +51223 C C1A . CLA SB . ? 0.6701 0.5900 0.5988 -0.0471 0.0088 0.0324 612 CLA B C1A +51224 C C2A . CLA SB . ? 0.5861 0.5126 0.5202 -0.0468 0.0079 0.0311 612 CLA B C2A +51225 C C3A . CLA SB . ? 0.6372 0.5636 0.5695 -0.0438 0.0061 0.0311 612 CLA B C3A +51226 C C4A . CLA SB . ? 0.6540 0.5743 0.5805 -0.0429 0.0064 0.0323 612 CLA B C4A +51227 C CMA . CLA SB . ? 0.5585 0.4860 0.4928 -0.0431 0.0034 0.0301 612 CLA B CMA +51228 C CAA . CLA SB . ? 0.6625 0.5930 0.5991 -0.0478 0.0103 0.0310 612 CLA B CAA +51229 C CBA . CLA SB . ? 0.6422 0.5705 0.5748 -0.0464 0.0118 0.0321 612 CLA B CBA +51230 C CGA . CLA SB . ? 0.6754 0.6076 0.6105 -0.0476 0.0144 0.0320 612 CLA B CGA +51231 O O1A . CLA SB . ? 0.7180 0.6485 0.6520 -0.0495 0.0170 0.0327 612 CLA B O1A +51232 O O2A . CLA SB . ? 0.6752 0.6134 0.6143 -0.0464 0.0141 0.0310 612 CLA B O2A +51233 N NB . CLA SB . ? 0.6669 0.5753 0.5815 -0.0398 0.0055 0.0344 612 CLA B NB +51234 C C1B . CLA SB . ? 0.6315 0.5448 0.5495 -0.0389 0.0045 0.0335 612 CLA B C1B +51235 C C2B . CLA SB . ? 0.7144 0.6270 0.6300 -0.0362 0.0028 0.0334 612 CLA B C2B +51236 C C3B . CLA SB . ? 0.6258 0.5324 0.5359 -0.0355 0.0028 0.0345 612 CLA B C3B +51237 C C4B . CLA SB . ? 0.6415 0.5458 0.5513 -0.0378 0.0045 0.0350 612 CLA B C4B +51238 C CMB . CLA SB . ? 0.6366 0.5534 0.5547 -0.0347 0.0015 0.0325 612 CLA B CMB +51239 C CAB . CLA SB . ? 0.7016 0.6047 0.6071 -0.0330 0.0014 0.0349 612 CLA B CAB +51240 C CBB . CLA SB . ? 0.6867 0.5919 0.5926 -0.0312 -0.0001 0.0343 612 CLA B CBB +51241 N NC . CLA SB . ? 0.6405 0.5381 0.5479 -0.0429 0.0087 0.0365 612 CLA B NC +51242 C C1C . CLA SB . ? 0.7264 0.6211 0.6299 -0.0403 0.0071 0.0369 612 CLA B C1C +51243 C C2C . CLA SB . ? 0.7046 0.5921 0.6020 -0.0399 0.0075 0.0381 612 CLA B C2C +51244 C C3C . CLA SB . ? 0.7432 0.6290 0.6410 -0.0429 0.0098 0.0386 612 CLA B C3C +51245 C C4C . CLA SB . ? 0.6122 0.5048 0.5165 -0.0446 0.0103 0.0374 612 CLA B C4C +51246 C CMC . CLA SB . ? 0.6418 0.5246 0.5338 -0.0371 0.0059 0.0388 612 CLA B CMC +51247 C CAC . CLA SB . ? 0.7259 0.6046 0.6185 -0.0440 0.0112 0.0398 612 CLA B CAC +51248 C CBC . CLA SB . ? 0.6514 0.5282 0.5451 -0.0448 0.0098 0.0393 612 CLA B CBC +51249 N ND . CLA SB . ? 0.7282 0.6336 0.6451 -0.0479 0.0111 0.0352 612 CLA B ND +51250 C C1D . CLA SB . ? 0.6149 0.5147 0.5281 -0.0496 0.0127 0.0362 612 CLA B C1D +51251 C C2D . CLA SB . ? 0.7786 0.6796 0.6950 -0.0530 0.0145 0.0358 612 CLA B C2D +51252 C C3D . CLA SB . ? 0.5820 0.4906 0.5049 -0.0532 0.0136 0.0344 612 CLA B C3D +51253 C C4D . CLA SB . ? 0.6591 0.5694 0.5816 -0.0502 0.0117 0.0342 612 CLA B C4D +51254 C CMD . CLA SB . ? 0.6636 0.5599 0.5777 -0.0558 0.0166 0.0365 612 CLA B CMD +51255 C CAD . CLA SB . ? 0.7122 0.6273 0.6417 -0.0551 0.0138 0.0331 612 CLA B CAD +51256 O OBD . CLA SB . ? 0.7006 0.6161 0.6323 -0.0581 0.0152 0.0328 612 CLA B OBD +51257 C CBD . CLA SB . ? 0.6919 0.6126 0.6249 -0.0530 0.0120 0.0321 612 CLA B CBD +51258 C CGD . CLA SB . ? 0.6940 0.6177 0.6311 -0.0534 0.0097 0.0307 612 CLA B CGD +51259 O O1D . CLA SB . ? 0.6915 0.6210 0.6335 -0.0539 0.0094 0.0296 612 CLA B O1D +51260 O O2D . CLA SB . ? 0.6915 0.6111 0.6264 -0.0531 0.0079 0.0307 612 CLA B O2D +51261 C CED . CLA SB . ? 0.8852 0.8077 0.8240 -0.0538 0.0061 0.0294 612 CLA B CED +51262 C C1 . CLA SB . ? 0.7241 0.6672 0.6675 -0.0481 0.0162 0.0305 612 CLA B C1 +51263 C C2 . CLA SB . ? 0.7667 0.7134 0.7154 -0.0500 0.0152 0.0294 612 CLA B C2 +51264 C C3 . CLA SB . ? 0.7092 0.6619 0.6629 -0.0494 0.0141 0.0281 612 CLA B C3 +51265 C C4 . CLA SB . ? 0.6732 0.6291 0.6275 -0.0468 0.0138 0.0278 612 CLA B C4 +51266 C C5 . CLA SB . ? 0.7775 0.7335 0.7361 -0.0513 0.0129 0.0270 612 CLA B C5 +51267 C C6 . CLA SB . ? 0.7473 0.7036 0.7063 -0.0495 0.0096 0.0263 612 CLA B C6 +51268 C C7 . CLA SB . ? 0.8448 0.7945 0.7986 -0.0490 0.0086 0.0271 612 CLA B C7 +51269 C C8 . CLA SB . ? 0.7995 0.7489 0.7535 -0.0476 0.0055 0.0265 612 CLA B C8 +51270 C C9 . CLA SB . ? 0.7374 0.6806 0.6866 -0.0471 0.0046 0.0273 612 CLA B C9 +51271 C C10 . CLA SB . ? 0.6624 0.6147 0.6170 -0.0450 0.0045 0.0261 612 CLA B C10 +51272 C C11 . CLA SB . ? 0.6739 0.6283 0.6306 -0.0439 0.0019 0.0251 612 CLA B C11 +51273 C C12 . CLA SB . ? 0.7569 0.7168 0.7190 -0.0450 0.0016 0.0238 612 CLA B C12 +51274 C C13 . CLA SB . ? 0.7807 0.7400 0.7435 -0.0453 -0.0008 0.0231 612 CLA B C13 +51275 C C14 . CLA SB . ? 0.7461 0.7053 0.7077 -0.0426 -0.0028 0.0229 612 CLA B C14 +51276 C C15 . CLA SB . ? 0.7515 0.7151 0.7192 -0.0471 -0.0012 0.0219 612 CLA B C15 +51277 C C16 . CLA SB . ? 0.7644 0.7280 0.7335 -0.0501 0.0007 0.0220 612 CLA B C16 +51278 C C17 . CLA SB . ? 0.7237 0.6815 0.6894 -0.0514 0.0007 0.0226 612 CLA B C17 +51279 C C18 . CLA SB . ? 0.8275 0.7857 0.7954 -0.0547 0.0022 0.0223 612 CLA B C18 +51280 C C19 . CLA SB . ? 0.9303 0.8891 0.8982 -0.0559 0.0052 0.0231 612 CLA B C19 +51281 C C20 . CLA SB . ? 0.9428 0.8953 0.9076 -0.0561 0.0018 0.0227 612 CLA B C20 +51282 MG MG . CLA TB . ? 0.6102 0.5440 0.5479 -0.0371 -0.0035 0.0277 613 CLA B MG +51283 C CHA . CLA TB . ? 0.5977 0.5220 0.5258 -0.0337 -0.0051 0.0292 613 CLA B CHA +51284 C CHB . CLA TB . ? 0.6165 0.5431 0.5520 -0.0411 -0.0021 0.0286 613 CLA B CHB +51285 C CHC . CLA TB . ? 0.6280 0.5719 0.5760 -0.0397 -0.0037 0.0256 613 CLA B CHC +51286 C CHD . CLA TB . ? 0.5990 0.5380 0.5379 -0.0326 -0.0060 0.0265 613 CLA B CHD +51287 N NA . CLA TB . ? 0.6328 0.5595 0.5655 -0.0373 -0.0036 0.0287 613 CLA B NA +51288 C C1A . CLA TB . ? 0.5975 0.5209 0.5265 -0.0358 -0.0040 0.0293 613 CLA B C1A +51289 C C2A . CLA TB . ? 0.6466 0.5650 0.5722 -0.0362 -0.0037 0.0301 613 CLA B C2A +51290 C C3A . CLA TB . ? 0.6609 0.5799 0.5889 -0.0387 -0.0027 0.0299 613 CLA B C3A +51291 C C4A . CLA TB . ? 0.6133 0.5378 0.5456 -0.0390 -0.0028 0.0290 613 CLA B C4A +51292 C CMA . CLA TB . ? 0.6278 0.5453 0.5563 -0.0390 -0.0042 0.0294 613 CLA B CMA +51293 C CAA . CLA TB . ? 0.5920 0.5075 0.5138 -0.0359 -0.0022 0.0313 613 CLA B CAA +51294 C CBA . CLA TB . ? 0.6688 0.5789 0.5869 -0.0366 -0.0015 0.0322 613 CLA B CBA +51295 C CGA . CLA TB . ? 0.6301 0.5370 0.5456 -0.0348 -0.0035 0.0322 613 CLA B CGA +51296 O O1A . CLA TB . ? 0.7907 0.6950 0.7027 -0.0331 -0.0040 0.0327 613 CLA B O1A +51297 O O2A . CLA TB . ? 0.7086 0.6154 0.6258 -0.0350 -0.0049 0.0315 613 CLA B O2A +51298 N NB . CLA TB . ? 0.6247 0.5599 0.5661 -0.0401 -0.0029 0.0271 613 CLA B NB +51299 C C1B . CLA TB . ? 0.6210 0.5530 0.5611 -0.0417 -0.0022 0.0276 613 CLA B C1B +51300 C C2B . CLA TB . ? 0.6192 0.5536 0.5628 -0.0441 -0.0015 0.0270 613 CLA B C2B +51301 C C3B . CLA TB . ? 0.6717 0.6116 0.6191 -0.0435 -0.0021 0.0260 613 CLA B C3B +51302 C C4B . CLA TB . ? 0.6123 0.5519 0.5578 -0.0410 -0.0029 0.0263 613 CLA B C4B +51303 C CMB . CLA TB . ? 0.6089 0.5404 0.5518 -0.0465 -0.0005 0.0272 613 CLA B CMB +51304 C CAB . CLA TB . ? 0.6774 0.6221 0.6296 -0.0449 -0.0022 0.0250 613 CLA B CAB +51305 C CBB . CLA TB . ? 0.6521 0.5968 0.6059 -0.0473 -0.0015 0.0247 613 CLA B CBB +51306 N NC . CLA TB . ? 0.6792 0.6193 0.6215 -0.0362 -0.0045 0.0264 613 CLA B NC +51307 C C1C . CLA TB . ? 0.6510 0.5947 0.5972 -0.0374 -0.0045 0.0257 613 CLA B C1C +51308 C C2C . CLA TB . ? 0.5680 0.5156 0.5166 -0.0362 -0.0054 0.0249 613 CLA B C2C +51309 C C3C . CLA TB . ? 0.7088 0.6546 0.6545 -0.0342 -0.0059 0.0252 613 CLA B C3C +51310 C C4C . CLA TB . ? 0.5794 0.5208 0.5216 -0.0344 -0.0054 0.0261 613 CLA B C4C +51311 C CMC . CLA TB . ? 0.6974 0.6495 0.6502 -0.0367 -0.0057 0.0239 613 CLA B CMC +51312 C CAC . CLA TB . ? 0.6400 0.5876 0.5860 -0.0323 -0.0068 0.0247 613 CLA B CAC +51313 C CBC . CLA TB . ? 0.5410 0.4877 0.4869 -0.0318 -0.0088 0.0242 613 CLA B CBC +51314 N ND . CLA TB . ? 0.6751 0.6077 0.6099 -0.0341 -0.0051 0.0277 613 CLA B ND +51315 C C1D . CLA TB . ? 0.6144 0.5492 0.5498 -0.0325 -0.0059 0.0272 613 CLA B C1D +51316 C C2D . CLA TB . ? 0.7023 0.6347 0.6344 -0.0308 -0.0068 0.0275 613 CLA B C2D +51317 C C3D . CLA TB . ? 0.5546 0.4830 0.4840 -0.0312 -0.0065 0.0283 613 CLA B C3D +51318 C C4D . CLA TB . ? 0.6036 0.5322 0.5345 -0.0331 -0.0055 0.0284 613 CLA B C4D +51319 C CMD . CLA TB . ? 0.5718 0.5050 0.5033 -0.0291 -0.0077 0.0271 613 CLA B CMD +51320 C CAD . CLA TB . ? 0.6501 0.5743 0.5756 -0.0304 -0.0069 0.0289 613 CLA B CAD +51321 O OBD . CLA TB . ? 0.6367 0.5597 0.5599 -0.0287 -0.0079 0.0289 613 CLA B OBD +51322 C CBD . CLA TB . ? 0.6328 0.5542 0.5572 -0.0318 -0.0060 0.0296 613 CLA B CBD +51323 C CGD . CLA TB . ? 0.6965 0.6147 0.6189 -0.0310 -0.0074 0.0296 613 CLA B CGD +51324 O O1D . CLA TB . ? 0.6387 0.5573 0.5629 -0.0315 -0.0083 0.0291 613 CLA B O1D +51325 O O2D . CLA TB . ? 0.6284 0.5430 0.5466 -0.0296 -0.0078 0.0303 613 CLA B O2D +51326 C CED . CLA TB . ? 0.7009 0.6131 0.6176 -0.0285 -0.0094 0.0302 613 CLA B CED +51327 C C1 . CLA TB . ? 0.8500 0.7550 0.7656 -0.0330 -0.0068 0.0313 613 CLA B C1 +51328 C C2 . CLA TB . ? 0.8841 0.7930 0.8034 -0.0326 -0.0084 0.0301 613 CLA B C2 +51329 C C3 . CLA TB . ? 0.9261 0.8351 0.8474 -0.0338 -0.0087 0.0295 613 CLA B C3 +51330 C C4 . CLA TB . ? 0.8568 0.7621 0.7764 -0.0354 -0.0076 0.0301 613 CLA B C4 +51331 C C5 . CLA TB . ? 0.8951 0.8075 0.8197 -0.0335 -0.0102 0.0284 613 CLA B C5 +51332 C C6 . CLA TB . ? 0.7949 0.7105 0.7231 -0.0353 -0.0097 0.0277 613 CLA B C6 +51333 C C7 . CLA TB . ? 0.8772 0.7951 0.8078 -0.0347 -0.0113 0.0266 613 CLA B C7 +51334 C C8 . CLA TB . ? 0.8741 0.7961 0.8084 -0.0359 -0.0112 0.0258 613 CLA B C8 +51335 C C9 . CLA TB . ? 0.8564 0.7777 0.7916 -0.0381 -0.0103 0.0258 613 CLA B C9 +51336 C C10 . CLA TB . ? 0.9167 0.8404 0.8526 -0.0351 -0.0128 0.0249 613 CLA B C10 +51337 C C11 . CLA TB . ? 0.9550 0.8780 0.8894 -0.0330 -0.0138 0.0249 613 CLA B C11 +51338 C C12 . CLA TB . ? 1.1739 1.0997 1.1103 -0.0324 -0.0149 0.0240 613 CLA B C12 +51339 C C13 . CLA TB . ? 1.1666 1.0915 1.1021 -0.0309 -0.0160 0.0237 613 CLA B C13 +51340 C C14 . CLA TB . ? 1.4254 1.3466 1.3587 -0.0305 -0.0161 0.0240 613 CLA B C14 +51341 C C15 . CLA TB . ? 1.2692 1.1950 1.2040 -0.0296 -0.0163 0.0238 613 CLA B C15 +51342 C C16 . CLA TB . ? 1.4378 1.3667 1.3743 -0.0298 -0.0160 0.0236 613 CLA B C16 +51343 C C17 . CLA TB . ? 1.4365 1.3674 1.3745 -0.0294 -0.0168 0.0228 613 CLA B C17 +51344 C C18 . CLA TB . ? 1.3959 1.3271 1.3332 -0.0281 -0.0174 0.0226 613 CLA B C18 +51345 C C19 . CLA TB . ? 1.3004 1.2324 1.2371 -0.0277 -0.0170 0.0230 613 CLA B C19 +51346 C C20 . CLA TB . ? 1.3119 1.2445 1.2504 -0.0279 -0.0181 0.0218 613 CLA B C20 +51347 MG MG . CLA UB . ? 0.6497 0.5539 0.5515 -0.0240 -0.0078 0.0327 614 CLA B MG +51348 C CHA . CLA UB . ? 0.6193 0.5134 0.5082 -0.0201 -0.0090 0.0343 614 CLA B CHA +51349 C CHB . CLA UB . ? 0.6354 0.5397 0.5348 -0.0262 -0.0020 0.0342 614 CLA B CHB +51350 C CHC . CLA UB . ? 0.6143 0.5289 0.5275 -0.0264 -0.0077 0.0307 614 CLA B CHC +51351 C CHD . CLA UB . ? 0.5695 0.4754 0.4741 -0.0210 -0.0138 0.0306 614 CLA B CHD +51352 N NA . CLA UB . ? 0.6374 0.5373 0.5327 -0.0234 -0.0058 0.0341 614 CLA B NA +51353 C C1A . CLA UB . ? 0.6880 0.5837 0.5783 -0.0220 -0.0064 0.0347 614 CLA B C1A +51354 C C2A . CLA UB . ? 0.7687 0.6614 0.6546 -0.0220 -0.0042 0.0358 614 CLA B C2A +51355 C C3A . CLA UB . ? 0.7062 0.6022 0.5957 -0.0241 -0.0018 0.0358 614 CLA B C3A +51356 C C4A . CLA UB . ? 0.7063 0.6066 0.6014 -0.0246 -0.0033 0.0347 614 CLA B C4A +51357 C CMA . CLA UB . ? 0.7401 0.6330 0.6282 -0.0259 0.0002 0.0369 614 CLA B CMA +51358 C CAA . CLA UB . ? 0.7203 0.6132 0.6038 -0.0202 -0.0051 0.0355 614 CLA B CAA +51359 C CBA . CLA UB . ? 0.8247 0.7226 0.7124 -0.0202 -0.0057 0.0343 614 CLA B CBA +51360 C CGA . CLA UB . ? 0.7735 0.6732 0.6634 -0.0191 -0.0086 0.0332 614 CLA B CGA +51361 O O1A . CLA UB . ? 0.8238 0.7214 0.7109 -0.0175 -0.0105 0.0330 614 CLA B O1A +51362 O O2A . CLA UB . ? 0.8199 0.7240 0.7154 -0.0199 -0.0093 0.0322 614 CLA B O2A +51363 N NB . CLA UB . ? 0.6400 0.5489 0.5460 -0.0260 -0.0053 0.0325 614 CLA B NB +51364 C C1B . CLA UB . ? 0.7083 0.6169 0.6131 -0.0268 -0.0031 0.0331 614 CLA B C1B +51365 C C2B . CLA UB . ? 0.6660 0.5790 0.5751 -0.0282 -0.0018 0.0326 614 CLA B C2B +51366 C C3B . CLA UB . ? 0.6677 0.5836 0.5807 -0.0281 -0.0037 0.0316 614 CLA B C3B +51367 C C4B . CLA UB . ? 0.5607 0.4736 0.4712 -0.0268 -0.0056 0.0316 614 CLA B C4B +51368 C CMB . CLA UB . ? 0.7069 0.6213 0.6164 -0.0292 0.0009 0.0331 614 CLA B CMB +51369 C CAB . CLA UB . ? 0.6731 0.5935 0.5910 -0.0289 -0.0038 0.0307 614 CLA B CAB +51370 C CBB . CLA UB . ? 0.6796 0.6024 0.6001 -0.0305 -0.0021 0.0307 614 CLA B CBB +51371 N NC . CLA UB . ? 0.6391 0.5479 0.5465 -0.0239 -0.0101 0.0311 614 CLA B NC +51372 C C1C . CLA UB . ? 0.6100 0.5226 0.5215 -0.0250 -0.0097 0.0305 614 CLA B C1C +51373 C C2C . CLA UB . ? 0.6964 0.6115 0.6111 -0.0247 -0.0114 0.0294 614 CLA B C2C +51374 C C3C . CLA UB . ? 0.6237 0.5363 0.5360 -0.0232 -0.0131 0.0294 614 CLA B C3C +51375 C C4C . CLA UB . ? 0.6928 0.6017 0.6006 -0.0227 -0.0123 0.0304 614 CLA B C4C +51376 C CMC . CLA UB . ? 0.6486 0.5675 0.5676 -0.0256 -0.0116 0.0286 614 CLA B CMC +51377 C CAC . CLA UB . ? 0.6763 0.5902 0.5904 -0.0223 -0.0151 0.0285 614 CLA B CAC +51378 C CBC . CLA UB . ? 0.5899 0.5058 0.5043 -0.0214 -0.0160 0.0278 614 CLA B CBC +51379 N ND . CLA UB . ? 0.6772 0.5784 0.5755 -0.0213 -0.0108 0.0324 614 CLA B ND +51380 C C1D . CLA UB . ? 0.6824 0.5845 0.5821 -0.0202 -0.0132 0.0316 614 CLA B C1D +51381 C C2D . CLA UB . ? 0.6576 0.5566 0.5535 -0.0182 -0.0148 0.0317 614 CLA B C2D +51382 C C3D . CLA UB . ? 0.6572 0.5529 0.5487 -0.0182 -0.0132 0.0329 614 CLA B C3D +51383 C C4D . CLA UB . ? 0.6469 0.5441 0.5401 -0.0200 -0.0109 0.0332 614 CLA B C4D +51384 C CMD . CLA UB . ? 0.7203 0.6192 0.6162 -0.0165 -0.0173 0.0310 614 CLA B CMD +51385 C CAD . CLA UB . ? 0.7056 0.5969 0.5913 -0.0168 -0.0131 0.0338 614 CLA B CAD +51386 O OBD . CLA UB . ? 0.7926 0.6819 0.6756 -0.0149 -0.0151 0.0337 614 CLA B OBD +51387 C CBD . CLA UB . ? 0.6971 0.5870 0.5807 -0.0180 -0.0104 0.0348 614 CLA B CBD +51388 C CGD . CLA UB . ? 0.7486 0.6331 0.6274 -0.0181 -0.0094 0.0361 614 CLA B CGD +51389 O O1D . CLA UB . ? 0.8144 0.6966 0.6903 -0.0188 -0.0072 0.0371 614 CLA B O1D +51390 O O2D . CLA UB . ? 0.7777 0.6591 0.6549 -0.0170 -0.0109 0.0363 614 CLA B O2D +51391 C CED . CLA UB . ? 0.7003 0.5759 0.5721 -0.0167 -0.0101 0.0376 614 CLA B CED +51392 C C1 . CLA UB . ? 0.9208 0.8264 0.8181 -0.0190 -0.0117 0.0311 614 CLA B C1 +51393 C C2 . CLA UB . ? 1.0439 0.9533 0.9465 -0.0202 -0.0119 0.0304 614 CLA B C2 +51394 C C3 . CLA UB . ? 1.0090 0.9217 0.9143 -0.0203 -0.0121 0.0296 614 CLA B C3 +51395 C C4 . CLA UB . ? 1.1293 1.0418 1.0322 -0.0192 -0.0121 0.0294 614 CLA B C4 +51396 C C5 . CLA UB . ? 1.1228 1.0390 1.0328 -0.0213 -0.0123 0.0288 614 CLA B C5 +51397 C C6 . CLA UB . ? 1.1249 1.0432 1.0365 -0.0206 -0.0139 0.0277 614 CLA B C6 +51398 C C7 . CLA UB . ? 1.3769 1.2983 1.2913 -0.0211 -0.0132 0.0272 614 CLA B C7 +51399 C C8 . CLA UB . ? 1.2791 1.2030 1.1975 -0.0220 -0.0137 0.0266 614 CLA B C8 +51400 C C9 . CLA UB . ? 1.1464 1.0698 1.0653 -0.0216 -0.0155 0.0261 614 CLA B C9 +51401 C C10 . CLA UB . ? 1.2328 1.1594 1.1535 -0.0221 -0.0136 0.0260 614 CLA B C10 +51402 C C11 . CLA UB . ? 1.5539 1.4801 1.4725 -0.0210 -0.0139 0.0256 614 CLA B C11 +51403 C C12 . CLA UB . ? 1.5389 1.4664 1.4577 -0.0210 -0.0123 0.0258 614 CLA B C12 +51404 C C13 . CLA UB . ? 1.2207 1.1503 1.1415 -0.0208 -0.0127 0.0250 614 CLA B C13 +51405 C C14 . CLA UB . ? 0.9980 0.9289 0.9187 -0.0205 -0.0112 0.0251 614 CLA B C14 +51406 C C15 . CLA UB . ? 1.4012 1.3328 1.3254 -0.0217 -0.0132 0.0246 614 CLA B C15 +51407 C C16 . CLA UB . ? 1.5232 1.4550 1.4481 -0.0214 -0.0147 0.0238 614 CLA B C16 +51408 C C17 . CLA UB . ? 1.2333 1.1663 1.1608 -0.0222 -0.0153 0.0235 614 CLA B C17 +51409 C C18 . CLA UB . ? 1.3374 1.2711 1.2658 -0.0220 -0.0161 0.0227 614 CLA B C18 +51410 C C19 . CLA UB . ? 1.3223 1.2573 1.2512 -0.0216 -0.0155 0.0226 614 CLA B C19 +51411 C C20 . CLA UB . ? 1.1197 1.0540 1.0500 -0.0227 -0.0169 0.0224 614 CLA B C20 +51412 MG MG . CLA VB . ? 0.7104 0.6421 0.6432 -0.0611 0.0383 0.0361 615 CLA B MG +51413 C CHA . CLA VB . ? 0.7208 0.6525 0.6526 -0.0541 0.0291 0.0349 615 CLA B CHA +51414 C CHB . CLA VB . ? 0.7408 0.6924 0.6895 -0.0597 0.0380 0.0327 615 CLA B CHB +51415 C CHC . CLA VB . ? 0.6984 0.6292 0.6296 -0.0669 0.0486 0.0378 615 CLA B CHC +51416 C CHD . CLA VB . ? 0.7120 0.6213 0.6249 -0.0597 0.0380 0.0401 615 CLA B CHD +51417 N NA . CLA VB . ? 0.7969 0.7367 0.7357 -0.0576 0.0343 0.0342 615 CLA B NA +51418 C C1A . CLA VB . ? 0.6237 0.5628 0.5620 -0.0554 0.0308 0.0338 615 CLA B C1A +51419 C C2A . CLA VB . ? 0.6569 0.6028 0.6007 -0.0537 0.0286 0.0323 615 CLA B C2A +51420 C C3A . CLA VB . ? 0.7492 0.7013 0.6982 -0.0554 0.0314 0.0316 615 CLA B C3A +51421 C C4A . CLA VB . ? 0.7537 0.7012 0.6989 -0.0578 0.0348 0.0329 615 CLA B C4A +51422 C CMA . CLA VB . ? 0.6577 0.6133 0.6071 -0.0528 0.0320 0.0314 615 CLA B CMA +51423 C CAA . CLA VB . ? 0.6724 0.6196 0.6192 -0.0539 0.0254 0.0313 615 CLA B CAA +51424 C CBA . CLA VB . ? 0.6084 0.5628 0.5612 -0.0528 0.0237 0.0298 615 CLA B CBA +51425 C CGA . CLA VB . ? 0.7148 0.6702 0.6663 -0.0493 0.0222 0.0296 615 CLA B CGA +51426 O O1A . CLA VB . ? 0.7104 0.6612 0.6566 -0.0474 0.0216 0.0305 615 CLA B O1A +51427 O O2A . CLA VB . ? 0.7364 0.6986 0.6931 -0.0481 0.0214 0.0283 615 CLA B O2A +51428 N NB . CLA VB . ? 0.7680 0.7083 0.7074 -0.0631 0.0426 0.0353 615 CLA B NB +51429 C C1B . CLA VB . ? 0.8488 0.7972 0.7948 -0.0623 0.0420 0.0338 615 CLA B C1B +51430 C C2B . CLA VB . ? 0.6931 0.6468 0.6430 -0.0641 0.0457 0.0334 615 CLA B C2B +51431 C C3B . CLA VB . ? 0.8583 0.8057 0.8030 -0.0663 0.0490 0.0349 615 CLA B C3B +51432 C C4B . CLA VB . ? 0.7009 0.6401 0.6390 -0.0654 0.0467 0.0360 615 CLA B C4B +51433 C CMB . CLA VB . ? 0.7902 0.7531 0.7475 -0.0637 0.0463 0.0319 615 CLA B CMB +51434 C CAB . CLA VB . ? 0.7732 0.7227 0.7194 -0.0689 0.0537 0.0352 615 CLA B CAB +51435 C CBB . CLA VB . ? 1.0294 0.9729 0.9693 -0.0697 0.0568 0.0368 615 CLA B CBB +51436 N NC . CLA VB . ? 0.7596 0.6813 0.6833 -0.0630 0.0424 0.0385 615 CLA B NC +51437 C C1C . CLA VB . ? 0.7806 0.7030 0.7045 -0.0652 0.0464 0.0390 615 CLA B C1C +51438 C C2C . CLA VB . ? 0.7906 0.7045 0.7066 -0.0661 0.0488 0.0408 615 CLA B C2C +51439 C C3C . CLA VB . ? 0.7422 0.6498 0.6528 -0.0638 0.0455 0.0415 615 CLA B C3C +51440 C C4C . CLA VB . ? 0.7101 0.6235 0.6263 -0.0621 0.0418 0.0399 615 CLA B C4C +51441 C CMC . CLA VB . ? 0.7317 0.6434 0.6453 -0.0685 0.0536 0.0419 615 CLA B CMC +51442 C CAC . CLA VB . ? 0.6694 0.5673 0.5711 -0.0631 0.0457 0.0432 615 CLA B CAC +51443 C CBC . CLA VB . ? 0.6489 0.5442 0.5449 -0.0600 0.0460 0.0441 615 CLA B CBC +51444 N ND . CLA VB . ? 0.6554 0.5782 0.5800 -0.0580 0.0347 0.0372 615 CLA B ND +51445 C C1D . CLA VB . ? 0.7549 0.6692 0.6720 -0.0574 0.0346 0.0387 615 CLA B C1D +51446 C C2D . CLA VB . ? 0.6744 0.5857 0.5885 -0.0546 0.0309 0.0387 615 CLA B C2D +51447 C C3D . CLA VB . ? 0.7933 0.7120 0.7137 -0.0534 0.0288 0.0371 615 CLA B C3D +51448 C C4D . CLA VB . ? 0.6697 0.5943 0.5955 -0.0554 0.0311 0.0364 615 CLA B C4D +51449 C CMD . CLA VB . ? 0.6892 0.5928 0.5964 -0.0530 0.0294 0.0399 615 CLA B CMD +51450 C CAD . CLA VB . ? 0.7277 0.6497 0.6507 -0.0510 0.0253 0.0361 615 CLA B CAD +51451 O OBD . CLA VB . ? 0.6700 0.5886 0.5899 -0.0489 0.0226 0.0362 615 CLA B OBD +51452 C CBD . CLA VB . ? 0.6368 0.5667 0.5667 -0.0514 0.0254 0.0347 615 CLA B CBD +51453 C CGD . CLA VB . ? 0.6662 0.5985 0.5958 -0.0483 0.0245 0.0343 615 CLA B CGD +51454 O O1D . CLA VB . ? 0.6710 0.6041 0.5993 -0.0476 0.0265 0.0347 615 CLA B O1D +51455 O O2D . CLA VB . ? 0.7109 0.6443 0.6415 -0.0461 0.0210 0.0336 615 CLA B O2D +51456 C CED . CLA VB . ? 0.6414 0.5772 0.5720 -0.0434 0.0199 0.0331 615 CLA B CED +51457 C C1 . CLA VB . ? 0.7012 0.6642 0.6567 -0.0449 0.0199 0.0281 615 CLA B C1 +51458 C C2 . CLA VB . ? 0.7140 0.6779 0.6682 -0.0439 0.0224 0.0284 615 CLA B C2 +51459 C C3 . CLA VB . ? 0.7742 0.7436 0.7319 -0.0425 0.0229 0.0275 615 CLA B C3 +51460 C C4 . CLA VB . ? 0.7396 0.7146 0.7029 -0.0419 0.0207 0.0261 615 CLA B C4 +51461 C C5 . CLA VB . ? 0.8446 0.8143 0.8004 -0.0415 0.0256 0.0280 615 CLA B C5 +51462 C C6 . CLA VB . ? 0.8533 0.8251 0.8113 -0.0442 0.0292 0.0282 615 CLA B C6 +51463 C C7 . CLA VB . ? 0.9669 0.9405 0.9241 -0.0429 0.0321 0.0283 615 CLA B C7 +51464 C C8 . CLA VB . ? 1.0820 1.0491 1.0328 -0.0437 0.0344 0.0299 615 CLA B C8 +51465 C C9 . CLA VB . ? 1.0226 0.9891 0.9746 -0.0474 0.0369 0.0304 615 CLA B C9 +51466 C C10 . CLA VB . ? 1.1713 1.1385 1.1193 -0.0419 0.0368 0.0302 615 CLA B C10 +51467 C C11 . CLA VB . ? 1.0995 1.0593 1.0402 -0.0424 0.0385 0.0319 615 CLA B C11 +51468 C C12 . CLA VB . ? 1.2517 1.2117 1.1904 -0.0422 0.0423 0.0323 615 CLA B C12 +51469 C C13 . CLA VB . ? 0.9508 0.9054 0.8848 -0.0445 0.0451 0.0338 615 CLA B C13 +51470 C C14 . CLA VB . ? 1.0150 0.9681 0.9450 -0.0435 0.0484 0.0344 615 CLA B C14 +51471 C C15 . CLA VB . ? 0.9423 0.8895 0.8705 -0.0442 0.0425 0.0348 615 CLA B C15 +51472 C C16 . CLA VB . ? 0.8939 0.8366 0.8199 -0.0473 0.0442 0.0359 615 CLA B C16 +51473 C C17 . CLA VB . ? 0.9225 0.8702 0.8557 -0.0503 0.0445 0.0351 615 CLA B C17 +51474 C C18 . CLA VB . ? 0.8131 0.7557 0.7440 -0.0533 0.0452 0.0361 615 CLA B C18 +51475 C C19 . CLA VB . ? 0.8467 0.7912 0.7820 -0.0544 0.0422 0.0352 615 CLA B C19 +51476 C C20 . CLA VB . ? 0.9488 0.8924 0.8811 -0.0566 0.0496 0.0365 615 CLA B C20 +51477 MG MG . CLA WB . ? 0.7033 0.6303 0.6133 -0.0414 0.0371 0.0377 616 CLA B MG +51478 C CHA . CLA WB . ? 0.8210 0.7439 0.7204 -0.0384 0.0433 0.0390 616 CLA B CHA +51479 C CHB . CLA WB . ? 0.6574 0.5965 0.5762 -0.0364 0.0332 0.0346 616 CLA B CHB +51480 C CHC . CLA WB . ? 0.7511 0.6835 0.6726 -0.0452 0.0327 0.0360 616 CLA B CHC +51481 C CHD . CLA WB . ? 0.7089 0.6234 0.6101 -0.0476 0.0433 0.0410 616 CLA B CHD +51482 N NA . CLA WB . ? 0.7858 0.7167 0.6957 -0.0381 0.0381 0.0369 616 CLA B NA +51483 C C1A . CLA WB . ? 0.8657 0.7939 0.7706 -0.0369 0.0401 0.0375 616 CLA B C1A +51484 C C2A . CLA WB . ? 0.7284 0.6589 0.6330 -0.0340 0.0394 0.0367 616 CLA B C2A +51485 C C3A . CLA WB . ? 0.8064 0.7421 0.7173 -0.0335 0.0364 0.0353 616 CLA B C3A +51486 C C4A . CLA WB . ? 0.7428 0.6781 0.6562 -0.0362 0.0358 0.0356 616 CLA B C4A +51487 C CMA . CLA WB . ? 0.6694 0.6125 0.5866 -0.0335 0.0380 0.0342 616 CLA B CMA +51488 C CAA . CLA WB . ? 0.7446 0.6687 0.6415 -0.0316 0.0376 0.0373 616 CLA B CAA +51489 C CBA . CLA WB . ? 0.8039 0.7296 0.7001 -0.0286 0.0363 0.0364 616 CLA B CBA +51490 C CGA . CLA WB . ? 0.9400 0.8678 0.8359 -0.0282 0.0399 0.0363 616 CLA B CGA +51491 O O1A . CLA WB . ? 0.9752 0.9005 0.8680 -0.0294 0.0431 0.0373 616 CLA B O1A +51492 O O2A . CLA WB . ? 0.9863 0.9191 0.8856 -0.0263 0.0397 0.0350 616 CLA B O2A +51493 N NB . CLA WB . ? 0.7209 0.6558 0.6399 -0.0409 0.0334 0.0357 616 CLA B NB +51494 C C1B . CLA WB . ? 0.7484 0.6878 0.6704 -0.0388 0.0322 0.0345 616 CLA B C1B +51495 C C2B . CLA WB . ? 0.7919 0.7364 0.7203 -0.0391 0.0298 0.0333 616 CLA B C2B +51496 C C3B . CLA WB . ? 0.6709 0.6133 0.6000 -0.0418 0.0297 0.0337 616 CLA B C3B +51497 C C4B . CLA WB . ? 0.6870 0.6234 0.6100 -0.0427 0.0320 0.0352 616 CLA B C4B +51498 C CMB . CLA WB . ? 0.7412 0.6909 0.6737 -0.0371 0.0280 0.0319 616 CLA B CMB +51499 C CAB . CLA WB . ? 0.7121 0.6570 0.6460 -0.0434 0.0278 0.0330 616 CLA B CAB +51500 C CBB . CLA WB . ? 0.7999 0.7508 0.7397 -0.0432 0.0265 0.0316 616 CLA B CBB +51501 N NC . CLA WB . ? 0.7214 0.6458 0.6328 -0.0455 0.0378 0.0383 616 CLA B NC +51502 C C1C . CLA WB . ? 0.7442 0.6715 0.6607 -0.0467 0.0357 0.0375 616 CLA B C1C +51503 C C2C . CLA WB . ? 0.8402 0.7645 0.7566 -0.0498 0.0368 0.0381 616 CLA B C2C +51504 C C3C . CLA WB . ? 0.8152 0.7341 0.7255 -0.0505 0.0400 0.0396 616 CLA B C3C +51505 C C4C . CLA WB . ? 0.7788 0.6984 0.6866 -0.0477 0.0403 0.0396 616 CLA B C4C +51506 C CMC . CLA WB . ? 0.7317 0.6579 0.6527 -0.0517 0.0351 0.0373 616 CLA B CMC +51507 C CAC . CLA WB . ? 0.7671 0.6806 0.6741 -0.0534 0.0424 0.0408 616 CLA B CAC +51508 C CBC . CLA WB . ? 0.7018 0.6207 0.6146 -0.0566 0.0457 0.0403 616 CLA B CBC +51509 N ND . CLA WB . ? 0.8107 0.7315 0.7135 -0.0429 0.0420 0.0395 616 CLA B ND +51510 C C1D . CLA WB . ? 0.7933 0.7091 0.6925 -0.0453 0.0443 0.0408 616 CLA B C1D +51511 C C2D . CLA WB . ? 0.9430 0.8546 0.8361 -0.0452 0.0477 0.0421 616 CLA B C2D +51512 C C3D . CLA WB . ? 0.7980 0.7128 0.6914 -0.0423 0.0472 0.0413 616 CLA B C3D +51513 C C4D . CLA WB . ? 0.7269 0.6469 0.6260 -0.0413 0.0440 0.0399 616 CLA B C4D +51514 C CMD . CLA WB . ? 0.7070 0.6124 0.5947 -0.0473 0.0508 0.0437 616 CLA B CMD +51515 C CAD . CLA WB . ? 0.8559 0.7705 0.7457 -0.0402 0.0489 0.0414 616 CLA B CAD +51516 O OBD . CLA WB . ? 0.9154 0.8259 0.7996 -0.0404 0.0520 0.0425 616 CLA B OBD +51517 C CBD . CLA WB . ? 0.8349 0.7546 0.7284 -0.0377 0.0464 0.0399 616 CLA B CBD +51518 C CGD . CLA WB . ? 0.7402 0.6658 0.6377 -0.0376 0.0493 0.0391 616 CLA B CGD +51519 O O1D . CLA WB . ? 0.7877 0.7121 0.6814 -0.0356 0.0505 0.0392 616 CLA B O1D +51520 O O2D . CLA WB . ? 0.9346 0.8675 0.8403 -0.0397 0.0509 0.0382 616 CLA B O2D +51521 C CED . CLA WB . ? 0.8923 0.8300 0.8004 -0.0392 0.0540 0.0376 616 CLA B CED +51522 C C1 . CLA WB . ? 1.2278 1.1626 1.1267 -0.0255 0.0429 0.0348 616 CLA B C1 +51523 C C2 . CLA WB . ? 1.5615 1.4999 1.4643 -0.0281 0.0468 0.0351 616 CLA B C2 +51524 C C3 . CLA WB . ? 1.5091 1.4547 1.4197 -0.0293 0.0477 0.0341 616 CLA B C3 +51525 C C4 . CLA WB . ? 1.5571 1.5054 1.4706 -0.0322 0.0518 0.0345 616 CLA B C4 +51526 C C5 . CLA WB . ? 1.5592 1.5104 1.4758 -0.0279 0.0449 0.0326 616 CLA B C5 +51527 C C6 . CLA WB . ? 1.7143 1.6697 1.6377 -0.0304 0.0439 0.0322 616 CLA B C6 +51528 C C7 . CLA WB . ? 1.5767 1.5403 1.5080 -0.0300 0.0439 0.0307 616 CLA B C7 +51529 C C8 . CLA WB . ? 1.5701 1.5378 1.5079 -0.0329 0.0435 0.0303 616 CLA B C8 +51530 C C9 . CLA WB . ? 1.4983 1.4612 1.4338 -0.0339 0.0405 0.0309 616 CLA B C9 +51531 C C10 . CLA WB . ? 1.6689 1.6440 1.6140 -0.0319 0.0420 0.0287 616 CLA B C10 +51532 C C11 . CLA WB . ? 1.6064 1.5869 1.5586 -0.0349 0.0426 0.0281 616 CLA B C11 +51533 C C12 . CLA WB . ? 1.8833 1.8699 1.8418 -0.0337 0.0399 0.0265 616 CLA B C12 +51534 C C13 . CLA WB . ? 1.7920 1.7856 1.7584 -0.0362 0.0407 0.0256 616 CLA B C13 +51535 C C14 . CLA WB . ? 1.6242 1.6239 1.5946 -0.0359 0.0441 0.0248 616 CLA B C14 +51536 C C15 . CLA WB . ? 1.5733 1.5641 1.5395 -0.0399 0.0415 0.0264 616 CLA B C15 +51537 C C16 . CLA WB . ? 1.5601 1.5557 1.5330 -0.0419 0.0396 0.0253 616 CLA B C16 +51538 C C17 . CLA WB . ? 1.6250 1.6159 1.5960 -0.0448 0.0390 0.0262 616 CLA B C17 +51539 C C18 . CLA WB . ? 1.7633 1.7583 1.7404 -0.0467 0.0369 0.0251 616 CLA B C18 +51540 C C19 . CLA WB . ? 1.3861 1.3797 1.3625 -0.0446 0.0325 0.0246 616 CLA B C19 +51541 C C20 . CLA WB . ? 1.8307 1.8347 1.8159 -0.0475 0.0381 0.0235 616 CLA B C20 +51542 C C1 . BCR XB . ? 0.8025 0.7434 0.7419 -0.0248 -0.0179 0.0207 617 BCR B C1 +51543 C C2 . BCR XB . ? 0.7521 0.6921 0.6910 -0.0248 -0.0185 0.0202 617 BCR B C2 +51544 C C3 . BCR XB . ? 0.8557 0.7944 0.7941 -0.0252 -0.0187 0.0201 617 BCR B C3 +51545 C C4 . BCR XB . ? 0.7776 0.7154 0.7147 -0.0247 -0.0186 0.0202 617 BCR B C4 +51546 C C5 . BCR XB . ? 0.8221 0.7604 0.7589 -0.0243 -0.0181 0.0207 617 BCR B C5 +51547 C C6 . BCR XB . ? 0.8041 0.7438 0.7420 -0.0244 -0.0177 0.0209 617 BCR B C6 +51548 C C7 . BCR XB . ? 0.6576 0.5978 0.5951 -0.0241 -0.0170 0.0214 617 BCR B C7 +51549 C C8 . BCR XB . ? 0.6678 0.6077 0.6053 -0.0245 -0.0165 0.0218 617 BCR B C8 +51550 C C9 . BCR XB . ? 0.7646 0.7048 0.7014 -0.0242 -0.0155 0.0223 617 BCR B C9 +51551 C C10 . BCR XB . ? 0.6921 0.6314 0.6283 -0.0246 -0.0150 0.0228 617 BCR B C10 +51552 C C11 . BCR XB . ? 0.6903 0.6295 0.6255 -0.0243 -0.0139 0.0233 617 BCR B C11 +51553 C C33 . BCR XB . ? 0.9070 0.8442 0.8423 -0.0239 -0.0181 0.0208 617 BCR B C33 +51554 C C31 . BCR XB . ? 0.8750 0.8161 0.8154 -0.0257 -0.0178 0.0209 617 BCR B C31 +51555 C C32 . BCR XB . ? 0.9148 0.8574 0.8549 -0.0243 -0.0177 0.0207 617 BCR B C32 +51556 C C34 . BCR XB . ? 0.7106 0.6520 0.6474 -0.0233 -0.0151 0.0222 617 BCR B C34 +51557 C C12 . BCR XB . ? 0.7497 0.6875 0.6838 -0.0247 -0.0134 0.0239 617 BCR B C12 +51558 C C13 . BCR XB . ? 0.8777 0.8150 0.8103 -0.0245 -0.0122 0.0245 617 BCR B C13 +51559 C C14 . BCR XB . ? 0.7423 0.6776 0.6733 -0.0249 -0.0117 0.0251 617 BCR B C14 +51560 C C15 . BCR XB . ? 0.7035 0.6377 0.6324 -0.0248 -0.0104 0.0258 617 BCR B C15 +51561 C C16 . BCR XB . ? 0.6916 0.6234 0.6186 -0.0251 -0.0099 0.0265 617 BCR B C16 +51562 C C17 . BCR XB . ? 0.6633 0.5937 0.5877 -0.0249 -0.0084 0.0272 617 BCR B C17 +51563 C C18 . BCR XB . ? 0.8280 0.7553 0.7496 -0.0250 -0.0081 0.0280 617 BCR B C18 +51564 C C19 . BCR XB . ? 0.8021 0.7278 0.7207 -0.0248 -0.0065 0.0287 617 BCR B C19 +51565 C C20 . BCR XB . ? 0.7179 0.6400 0.6327 -0.0244 -0.0062 0.0295 617 BCR B C20 +51566 C C21 . BCR XB . ? 0.6175 0.5383 0.5295 -0.0242 -0.0044 0.0302 617 BCR B C21 +51567 C C22 . BCR XB . ? 0.7827 0.6995 0.6902 -0.0237 -0.0040 0.0310 617 BCR B C22 +51568 C C23 . BCR XB . ? 0.7518 0.6676 0.6567 -0.0235 -0.0021 0.0316 617 BCR B C23 +51569 C C24 . BCR XB . ? 0.7132 0.6250 0.6133 -0.0229 -0.0015 0.0325 617 BCR B C24 +51570 C C25 . BCR XB . ? 0.7802 0.6908 0.6772 -0.0228 0.0007 0.0331 617 BCR B C25 +51571 C C26 . BCR XB . ? 0.7520 0.6642 0.6487 -0.0217 0.0010 0.0326 617 BCR B C26 +51572 C C27 . BCR XB . ? 0.8751 0.7860 0.7685 -0.0214 0.0034 0.0332 617 BCR B C27 +51573 C C28 . BCR XB . ? 0.8122 0.7190 0.7016 -0.0220 0.0050 0.0345 617 BCR B C28 +51574 C C29 . BCR XB . ? 0.6668 0.5739 0.5589 -0.0240 0.0056 0.0350 617 BCR B C29 +51575 C C30 . BCR XB . ? 0.8244 0.7318 0.7186 -0.0238 0.0028 0.0344 617 BCR B C30 +51576 C C35 . BCR XB . ? 0.5764 0.5151 0.5089 -0.0237 -0.0114 0.0244 617 BCR B C35 +51577 C C36 . BCR XB . ? 0.6067 0.5319 0.5278 -0.0253 -0.0092 0.0281 617 BCR B C36 +51578 C C37 . BCR XB . ? 0.6081 0.5217 0.5135 -0.0233 -0.0056 0.0313 617 BCR B C37 +51579 C C38 . BCR XB . ? 0.8007 0.7155 0.6997 -0.0207 -0.0009 0.0314 617 BCR B C38 +51580 C C39 . BCR XB . ? 0.6959 0.6049 0.5941 -0.0260 0.0036 0.0345 617 BCR B C39 +51581 C C40 . BCR XB . ? 0.7071 0.6094 0.5964 -0.0228 0.0014 0.0350 617 BCR B C40 +51582 C C1 . BCR YB . ? 0.8983 0.8376 0.8414 -0.0307 -0.0152 0.0225 618 BCR B C1 +51583 C C2 . BCR YB . ? 0.9367 0.8756 0.8800 -0.0306 -0.0163 0.0219 618 BCR B C2 +51584 C C3 . BCR YB . ? 0.9008 0.8407 0.8441 -0.0295 -0.0170 0.0215 618 BCR B C3 +51585 C C4 . BCR YB . ? 0.7723 0.7113 0.7139 -0.0285 -0.0169 0.0218 618 BCR B C4 +51586 C C5 . BCR YB . ? 0.8371 0.7761 0.7781 -0.0285 -0.0160 0.0224 618 BCR B C5 +51587 C C6 . BCR YB . ? 0.7472 0.6863 0.6888 -0.0294 -0.0151 0.0228 618 BCR B C6 +51588 C C7 . BCR YB . ? 0.7884 0.7273 0.7292 -0.0294 -0.0140 0.0235 618 BCR B C7 +51589 C C8 . BCR YB . ? 0.6808 0.6215 0.6219 -0.0289 -0.0134 0.0235 618 BCR B C8 +51590 C C9 . BCR YB . ? 0.7364 0.6768 0.6764 -0.0289 -0.0121 0.0241 618 BCR B C9 +51591 C C10 . BCR YB . ? 0.6683 0.6102 0.6083 -0.0279 -0.0117 0.0241 618 BCR B C10 +51592 C C11 . BCR YB . ? 0.6432 0.5850 0.5820 -0.0278 -0.0103 0.0246 618 BCR B C11 +51593 C C33 . BCR YB . ? 0.6881 0.6267 0.6276 -0.0274 -0.0159 0.0226 618 BCR B C33 +51594 C C31 . BCR YB . ? 0.8453 0.7823 0.7873 -0.0315 -0.0146 0.0231 618 BCR B C31 +51595 C C32 . BCR YB . ? 0.8955 0.8377 0.8408 -0.0313 -0.0148 0.0222 618 BCR B C32 +51596 C C34 . BCR YB . ? 0.6931 0.6316 0.6320 -0.0298 -0.0111 0.0248 618 BCR B C34 +51597 C C12 . BCR YB . ? 0.6957 0.6394 0.6350 -0.0269 -0.0099 0.0244 618 BCR B C12 +51598 C C13 . BCR YB . ? 0.7161 0.6600 0.6543 -0.0265 -0.0083 0.0249 618 BCR B C13 +51599 C C14 . BCR YB . ? 0.5862 0.5316 0.5245 -0.0253 -0.0081 0.0246 618 BCR B C14 +51600 C C15 . BCR YB . ? 0.6295 0.5752 0.5667 -0.0248 -0.0064 0.0249 618 BCR B C15 +51601 C C16 . BCR YB . ? 0.6269 0.5736 0.5637 -0.0234 -0.0062 0.0246 618 BCR B C16 +51602 C C17 . BCR YB . ? 0.6376 0.5847 0.5732 -0.0229 -0.0044 0.0249 618 BCR B C17 +51603 C C18 . BCR YB . ? 0.6918 0.6395 0.6266 -0.0213 -0.0041 0.0246 618 BCR B C18 +51604 C C19 . BCR YB . ? 0.6390 0.5870 0.5726 -0.0209 -0.0021 0.0250 618 BCR B C19 +51605 C C20 . BCR YB . ? 0.6949 0.6430 0.6271 -0.0192 -0.0016 0.0247 618 BCR B C20 +51606 C C21 . BCR YB . ? 0.7003 0.6485 0.6311 -0.0189 0.0006 0.0250 618 BCR B C21 +51607 C C22 . BCR YB . ? 0.8021 0.7501 0.7310 -0.0172 0.0014 0.0248 618 BCR B C22 +51608 C C23 . BCR YB . ? 0.8047 0.7529 0.7324 -0.0171 0.0036 0.0252 618 BCR B C23 +51609 C C24 . BCR YB . ? 0.7437 0.6914 0.6692 -0.0154 0.0047 0.0250 618 BCR B C24 +51610 C C25 . BCR YB . ? 0.7890 0.7367 0.7128 -0.0152 0.0073 0.0254 618 BCR B C25 +51611 C C26 . BCR YB . ? 0.9811 0.9252 0.9007 -0.0156 0.0081 0.0262 618 BCR B C26 +51612 C C27 . BCR YB . ? 0.8890 0.8327 0.8064 -0.0153 0.0109 0.0267 618 BCR B C27 +51613 C C28 . BCR YB . ? 0.8558 0.8045 0.7777 -0.0158 0.0132 0.0265 618 BCR B C28 +51614 C C29 . BCR YB . ? 0.9636 0.9159 0.8889 -0.0144 0.0122 0.0254 618 BCR B C29 +51615 C C30 . BCR YB . ? 0.8856 0.8377 0.8124 -0.0144 0.0092 0.0249 618 BCR B C30 +51616 C C35 . BCR YB . ? 0.6750 0.6173 0.6120 -0.0276 -0.0069 0.0257 618 BCR B C35 +51617 C C36 . BCR YB . ? 0.6797 0.6277 0.6147 -0.0200 -0.0057 0.0239 618 BCR B C36 +51618 C C37 . BCR YB . ? 0.7260 0.6733 0.6539 -0.0155 -0.0002 0.0241 618 BCR B C37 +51619 C C38 . BCR YB . ? 0.9240 0.8640 0.8407 -0.0162 0.0062 0.0266 618 BCR B C38 +51620 C C39 . BCR YB . ? 1.0638 1.0158 0.9897 -0.0120 0.0081 0.0241 618 BCR B C39 +51621 C C40 . BCR YB . ? 1.0055 0.9622 0.9381 -0.0158 0.0090 0.0246 618 BCR B C40 +51622 C C1 . BCR ZB . ? 1.1415 1.1563 1.1326 -0.0322 0.0234 0.0191 619 BCR B C1 +51623 C C2 . BCR ZB . ? 0.9908 1.0140 0.9888 -0.0314 0.0238 0.0175 619 BCR B C2 +51624 C C3 . BCR ZB . ? 1.0455 1.0716 1.0444 -0.0309 0.0274 0.0175 619 BCR B C3 +51625 C C4 . BCR ZB . ? 1.0982 1.1233 1.0971 -0.0346 0.0306 0.0183 619 BCR B C4 +51626 C C5 . BCR ZB . ? 1.2518 1.2682 1.2438 -0.0357 0.0302 0.0199 619 BCR B C5 +51627 C C6 . BCR ZB . ? 1.1132 1.1251 1.1017 -0.0346 0.0269 0.0202 619 BCR B C6 +51628 C C7 . BCR ZB . ? 1.0224 1.0262 1.0044 -0.0354 0.0263 0.0216 619 BCR B C7 +51629 C C8 . BCR ZB . ? 0.8805 0.8790 0.8566 -0.0348 0.0280 0.0229 619 BCR B C8 +51630 C C9 . BCR ZB . ? 0.8029 0.7938 0.7728 -0.0353 0.0270 0.0241 619 BCR B C9 +51631 C C10 . BCR ZB . ? 0.8146 0.8007 0.7786 -0.0340 0.0282 0.0251 619 BCR B C10 +51632 C C11 . BCR ZB . ? 0.7926 0.7711 0.7500 -0.0340 0.0272 0.0264 619 BCR B C11 +51633 C C33 . BCR ZB . ? 1.2789 1.2922 1.2680 -0.0381 0.0339 0.0211 619 BCR B C33 +51634 C C31 . BCR ZB . ? 0.9173 0.9276 0.9028 -0.0288 0.0221 0.0195 619 BCR B C31 +51635 C C32 . BCR ZB . ? 1.1023 1.1153 1.0939 -0.0339 0.0207 0.0190 619 BCR B C32 +51636 C C34 . BCR ZB . ? 0.7783 0.7670 0.7485 -0.0371 0.0246 0.0242 619 BCR B C34 +51637 C C12 . BCR ZB . ? 0.7783 0.7529 0.7302 -0.0328 0.0288 0.0272 619 BCR B C12 +51638 C C13 . BCR ZB . ? 0.7246 0.6918 0.6697 -0.0324 0.0278 0.0284 619 BCR B C13 +51639 C C14 . BCR ZB . ? 0.8605 0.8240 0.8003 -0.0311 0.0294 0.0291 619 BCR B C14 +51640 C C15 . BCR ZB . ? 0.7510 0.7074 0.6838 -0.0303 0.0284 0.0302 619 BCR B C15 +51641 C C16 . BCR ZB . ? 0.7062 0.6594 0.6338 -0.0289 0.0300 0.0307 619 BCR B C16 +51642 C C17 . BCR ZB . ? 0.7314 0.6778 0.6521 -0.0278 0.0287 0.0316 619 BCR B C17 +51643 C C18 . BCR ZB . ? 0.8561 0.7988 0.7710 -0.0264 0.0300 0.0322 619 BCR B C18 +51644 C C19 . BCR ZB . ? 0.7264 0.6627 0.6349 -0.0252 0.0280 0.0329 619 BCR B C19 +51645 C C20 . BCR ZB . ? 0.7355 0.6675 0.6377 -0.0237 0.0288 0.0334 619 BCR B C20 +51646 C C21 . BCR ZB . ? 0.6638 0.5903 0.5608 -0.0227 0.0261 0.0338 619 BCR B C21 +51647 C C22 . BCR ZB . ? 0.6869 0.6084 0.5772 -0.0211 0.0261 0.0343 619 BCR B C22 +51648 C C23 . BCR ZB . ? 0.7874 0.7047 0.6741 -0.0203 0.0232 0.0345 619 BCR B C23 +51649 C C24 . BCR ZB . ? 0.7256 0.6384 0.6059 -0.0185 0.0226 0.0347 619 BCR B C24 +51650 C C25 . BCR ZB . ? 0.7947 0.7032 0.6711 -0.0174 0.0193 0.0348 619 BCR B C25 +51651 C C26 . BCR ZB . ? 0.9777 0.8877 0.8564 -0.0165 0.0162 0.0337 619 BCR B C26 +51652 C C27 . BCR ZB . ? 0.8270 0.7334 0.7024 -0.0154 0.0128 0.0336 619 BCR B C27 +51653 C C28 . BCR ZB . ? 0.8246 0.7255 0.6943 -0.0154 0.0129 0.0348 619 BCR B C28 +51654 C C29 . BCR ZB . ? 0.8615 0.7601 0.7269 -0.0154 0.0162 0.0357 619 BCR B C29 +51655 C C30 . BCR ZB . ? 0.8828 0.7852 0.7525 -0.0172 0.0196 0.0360 619 BCR B C30 +51656 C C35 . BCR ZB . ? 0.7917 0.7559 0.7361 -0.0332 0.0249 0.0286 619 BCR B C35 +51657 C C36 . BCR ZB . ? 0.7800 0.7253 0.6951 -0.0257 0.0333 0.0320 619 BCR B C36 +51658 C C37 . BCR ZB . ? 0.7565 0.6774 0.6436 -0.0203 0.0292 0.0346 619 BCR B C37 +51659 C C38 . BCR ZB . ? 0.7210 0.6365 0.6058 -0.0164 0.0158 0.0326 619 BCR B C38 +51660 C C39 . BCR ZB . ? 0.9063 0.8069 0.7715 -0.0166 0.0227 0.0365 619 BCR B C39 +51661 C C40 . BCR ZB . ? 0.7884 0.6902 0.6596 -0.0194 0.0204 0.0369 619 BCR B C40 +51662 O O6 . SQD AC . ? 1.7977 1.6834 1.6564 -0.0117 -0.0030 0.0350 620 SQD B O6 +51663 C C44 . SQD AC . ? 1.5605 1.4485 1.4240 -0.0136 -0.0017 0.0353 620 SQD B C44 +51664 C C45 . SQD AC . ? 1.4487 1.3415 1.3187 -0.0142 -0.0034 0.0341 620 SQD B C45 +51665 C C46 . SQD AC . ? 1.4021 1.2944 1.2718 -0.0129 -0.0068 0.0333 620 SQD B C46 +51666 O O47 . SQD AC . ? 1.6372 1.5313 1.5108 -0.0160 -0.0023 0.0346 620 SQD B O47 +51667 C C7 . SQD AC . ? 1.5432 1.4403 1.4218 -0.0165 -0.0042 0.0338 620 SQD B C7 +51668 O O49 . SQD AC . ? 1.6113 1.5067 1.4898 -0.0166 -0.0053 0.0341 620 SQD B O49 +51669 C C8 . SQD AC . ? 1.1521 1.0540 1.0360 -0.0169 -0.0048 0.0326 620 SQD B C8 +51670 C C9 . SQD AC . ? 1.0616 0.9648 0.9484 -0.0168 -0.0074 0.0319 620 SQD B C9 +51671 C C10 . SQD AC . ? 1.0840 0.9916 0.9767 -0.0181 -0.0072 0.0312 620 SQD B C10 +51672 C C11 . SQD AC . ? 0.9720 0.8820 0.8674 -0.0175 -0.0094 0.0300 620 SQD B C11 +51673 C C12 . SQD AC . ? 1.1853 1.0993 1.0853 -0.0185 -0.0085 0.0295 620 SQD B C12 +51674 C C13 . SQD AC . ? 1.1443 1.0607 1.0473 -0.0183 -0.0104 0.0283 620 SQD B C13 +51675 C C14 . SQD AC . ? 1.3307 1.2507 1.2382 -0.0194 -0.0095 0.0280 620 SQD B C14 +51676 C C15 . SQD AC . ? 1.0640 0.9852 0.9715 -0.0195 -0.0074 0.0282 620 SQD B C15 +51677 C C16 . SQD AC . ? 1.3368 1.2618 1.2488 -0.0202 -0.0071 0.0277 620 SQD B C16 +51678 C C17 . SQD AC . ? 1.3796 1.3064 1.2926 -0.0205 -0.0048 0.0279 620 SQD B C17 +51679 C C18 . SQD AC . ? 1.3698 1.3005 1.2874 -0.0211 -0.0046 0.0274 620 SQD B C18 +51680 C C19 . SQD AC . ? 1.1300 1.0629 1.0491 -0.0218 -0.0023 0.0277 620 SQD B C19 +51681 C C20 . SQD AC . ? 1.0428 0.9797 0.9667 -0.0225 -0.0023 0.0271 620 SQD B C20 +51682 C C21 . SQD AC . ? 0.9876 0.9269 0.9135 -0.0233 0.0000 0.0274 620 SQD B C21 +51683 C C22 . SQD AC . ? 0.9486 0.8889 0.8734 -0.0220 0.0013 0.0272 620 SQD B C22 +51684 O O48 . SQD AC . ? 1.2582 1.1531 1.1297 -0.0123 -0.0082 0.0320 620 SQD B O48 +51685 C C23 . SQD AC . ? 1.2573 1.1518 1.1282 -0.0110 -0.0114 0.0311 620 SQD B C23 +51686 O O10 . SQD AC . ? 1.5118 1.4032 1.3793 -0.0101 -0.0126 0.0315 620 SQD B O10 +51687 C C24 . SQD AC . ? 0.9128 0.8107 0.7873 -0.0109 -0.0130 0.0296 620 SQD B C24 +51688 C C25 . SQD AC . ? 0.9349 0.8366 0.8156 -0.0124 -0.0129 0.0293 620 SQD B C25 +51689 C C26 . SQD AC . ? 1.0107 0.9153 0.8945 -0.0123 -0.0143 0.0279 620 SQD B C26 +51690 C C27 . SQD AC . ? 0.9428 0.8510 0.8315 -0.0137 -0.0130 0.0277 620 SQD B C27 +51691 C C28 . SQD AC . ? 0.9510 0.8616 0.8425 -0.0136 -0.0143 0.0264 620 SQD B C28 +51692 C C29 . SQD AC . ? 1.1737 1.0874 1.0693 -0.0147 -0.0129 0.0264 620 SQD B C29 +51693 C C30 . SQD AC . ? 1.0841 0.9999 0.9820 -0.0147 -0.0137 0.0253 620 SQD B C30 +51694 C C31 . SQD AC . ? 0.9764 0.8951 0.8781 -0.0155 -0.0123 0.0254 620 SQD B C31 +51695 C C32 . SQD AC . ? 0.9139 0.8346 0.8187 -0.0159 -0.0135 0.0244 620 SQD B C32 +51696 C C33 . SQD AC . ? 1.1835 1.1037 1.0887 -0.0160 -0.0156 0.0239 620 SQD B C33 +51697 C C34 . SQD AC . ? 1.2251 1.1474 1.1340 -0.0167 -0.0164 0.0232 620 SQD B C34 +51698 C C35 . SQD AC . ? 1.0826 1.0048 0.9922 -0.0169 -0.0183 0.0226 620 SQD B C35 +51699 C C36 . SQD AC . ? 1.0565 0.9808 0.9700 -0.0179 -0.0186 0.0223 620 SQD B C36 +51700 C C37 . SQD AC . ? 1.3466 1.2709 1.2611 -0.0182 -0.0195 0.0225 620 SQD B C37 +51701 C C38 . SQD AC . ? 1.3610 1.2845 1.2748 -0.0183 -0.0185 0.0235 620 SQD B C38 +51702 C C1 . SQD AC . ? 1.6920 1.5730 1.5457 -0.0105 -0.0045 0.0356 620 SQD B C1 +51703 C C2 . SQD AC . ? 1.5713 1.4484 1.4182 -0.0085 -0.0051 0.0357 620 SQD B C2 +51704 O O2 . SQD AC . ? 1.5140 1.3933 1.3619 -0.0076 -0.0066 0.0343 620 SQD B O2 +51705 C C3 . SQD AC . ? 1.6149 1.4880 1.4580 -0.0072 -0.0075 0.0360 620 SQD B C3 +51706 O O3 . SQD AC . ? 1.9163 1.7840 1.7518 -0.0060 -0.0065 0.0371 620 SQD B O3 +51707 C C4 . SQD AC . ? 1.7153 1.5884 1.5610 -0.0082 -0.0078 0.0366 620 SQD B C4 +51708 O O4 . SQD AC . ? 1.7349 1.6107 1.5845 -0.0076 -0.0109 0.0354 620 SQD B O4 +51709 C C5 . SQD AC . ? 1.8465 1.7222 1.6969 -0.0106 -0.0049 0.0372 620 SQD B C5 +51710 C C6 . SQD AC . ? 1.9530 1.8247 1.8006 -0.0116 -0.0029 0.0388 620 SQD B C6 +51711 O O5 . SQD AC . ? 1.5708 1.4490 1.4227 -0.0115 -0.0026 0.0370 620 SQD B O5 +51712 S S . SQD AC . ? 1.5074 1.3827 1.3616 -0.0141 -0.0014 0.0388 620 SQD B S +51713 O O7 . SQD AC . ? 1.7884 1.6671 1.6477 -0.0141 -0.0040 0.0377 620 SQD B O7 +51714 O O8 . SQD AC . ? 1.2896 1.1605 1.1407 -0.0151 0.0003 0.0403 620 SQD B O8 +51715 O O9 . SQD AC . ? 1.2269 1.1061 1.0846 -0.0156 0.0011 0.0386 620 SQD B O9 +51716 C C1 . LMG BC . ? 1.0517 0.9931 0.9894 -0.0224 -0.0211 0.0188 621 LMG B C1 +51717 O O1 . LMG BC . ? 1.0765 1.0193 1.0163 -0.0235 -0.0209 0.0188 621 LMG B O1 +51718 C C2 . LMG BC . ? 1.0804 1.0200 1.0165 -0.0225 -0.0215 0.0185 621 LMG B C2 +51719 O O2 . LMG BC . ? 1.0937 1.0319 1.0295 -0.0236 -0.0211 0.0185 621 LMG B O2 +51720 C C3 . LMG BC . ? 0.9873 0.9248 0.9207 -0.0215 -0.0215 0.0185 621 LMG B C3 +51721 O O3 . LMG BC . ? 0.9720 0.9078 0.9039 -0.0217 -0.0218 0.0183 621 LMG B O3 +51722 C C4 . LMG BC . ? 1.0517 0.9907 0.9854 -0.0201 -0.0220 0.0185 621 LMG B C4 +51723 O O4 . LMG BC . ? 1.1791 1.1194 1.1136 -0.0199 -0.0229 0.0182 621 LMG B O4 +51724 C C5 . LMG BC . ? 1.2564 1.1978 1.1923 -0.0201 -0.0216 0.0187 621 LMG B C5 +51725 O O5 . LMG BC . ? 0.9617 0.9078 0.9009 -0.0189 -0.0215 0.0186 621 LMG B O5 +51726 C C6 . LMG BC . ? 0.9965 0.9399 0.9331 -0.0187 -0.0221 0.0185 621 LMG B C6 +51727 O O6 . LMG BC . ? 0.9624 0.9055 0.9007 -0.0213 -0.0214 0.0187 621 LMG B O6 +51728 C C7 . LMG BC . ? 0.8916 0.8347 0.8320 -0.0239 -0.0202 0.0192 621 LMG B C7 +51729 C C8 . LMG BC . ? 0.8436 0.7861 0.7846 -0.0250 -0.0201 0.0192 621 LMG B C8 +51730 C C9 . LMG BC . ? 1.0945 1.0349 1.0340 -0.0251 -0.0200 0.0191 621 LMG B C9 +51731 O O7 . LMG BC . ? 1.2025 1.1457 1.1445 -0.0255 -0.0195 0.0196 621 LMG B O7 +51732 C C10 . LMG BC . ? 0.9401 0.8853 0.8840 -0.0260 -0.0194 0.0195 621 LMG B C10 +51733 O O9 . LMG BC . ? 1.2298 1.1768 1.1745 -0.0255 -0.0197 0.0193 621 LMG B O9 +51734 C C11 . LMG BC . ? 1.0480 0.9933 0.9929 -0.0271 -0.0190 0.0198 621 LMG B C11 +51735 C C12 . LMG BC . ? 0.8742 0.8210 0.8201 -0.0272 -0.0181 0.0202 621 LMG B C12 +51736 C C13 . LMG BC . ? 0.7683 0.7149 0.7151 -0.0285 -0.0176 0.0204 621 LMG B C13 +51737 C C14 . LMG BC . ? 0.7811 0.7288 0.7295 -0.0294 -0.0182 0.0198 621 LMG B C14 +51738 C C15 . LMG BC . ? 0.7408 0.6872 0.6894 -0.0307 -0.0178 0.0200 621 LMG B C15 +51739 C C16 . LMG BC . ? 0.8141 0.7620 0.7646 -0.0318 -0.0183 0.0194 621 LMG B C16 +51740 C C17 . LMG BC . ? 0.8175 0.7632 0.7675 -0.0330 -0.0184 0.0193 621 LMG B C17 +51741 C C18 . LMG BC . ? 0.8569 0.8004 0.8056 -0.0333 -0.0174 0.0201 621 LMG B C18 +51742 C C19 . LMG BC . ? 0.8669 0.8083 0.8153 -0.0346 -0.0173 0.0201 621 LMG B C19 +51743 C C20 . LMG BC . ? 0.8986 0.8370 0.8448 -0.0339 -0.0173 0.0204 621 LMG B C20 +51744 C C21 . LMG BC . ? 0.8421 0.7779 0.7874 -0.0350 -0.0169 0.0207 621 LMG B C21 +51745 C C22 . LMG BC . ? 0.9438 0.8769 0.8872 -0.0340 -0.0173 0.0208 621 LMG B C22 +51746 C C23 . LMG BC . ? 0.9821 0.9121 0.9237 -0.0343 -0.0167 0.0214 621 LMG B C23 +51747 C C24 . LMG BC . ? 0.8624 0.7899 0.8026 -0.0335 -0.0173 0.0212 621 LMG B C24 +51748 C C25 . LMG BC . ? 0.9940 0.9182 0.9321 -0.0334 -0.0169 0.0218 621 LMG B C25 +51749 O O8 . LMG BC . ? 1.2280 1.1679 1.1680 -0.0260 -0.0198 0.0191 621 LMG B O8 +51750 C C28 . LMG BC . ? 1.1367 1.0751 1.0758 -0.0261 -0.0197 0.0190 621 LMG B C28 +51751 O O10 . LMG BC . ? 1.2286 1.1663 1.1666 -0.0257 -0.0196 0.0190 621 LMG B O10 +51752 C C29 . LMG BC . ? 0.9045 0.8424 0.8442 -0.0267 -0.0196 0.0189 621 LMG B C29 +51753 C C30 . LMG BC . ? 0.9115 0.8501 0.8523 -0.0272 -0.0197 0.0190 621 LMG B C30 +51754 C C31 . LMG BC . ? 0.9370 0.8762 0.8782 -0.0272 -0.0193 0.0196 621 LMG B C31 +51755 C C32 . LMG BC . ? 1.0007 0.9388 0.9416 -0.0272 -0.0192 0.0198 621 LMG B C32 +51756 C C33 . LMG BC . ? 0.8793 0.8175 0.8205 -0.0275 -0.0188 0.0203 621 LMG B C33 +51757 C C34 . LMG BC . ? 0.9354 0.8723 0.8757 -0.0273 -0.0187 0.0206 621 LMG B C34 +51758 C C35 . LMG BC . ? 0.9030 0.8398 0.8426 -0.0266 -0.0189 0.0205 621 LMG B C35 +51759 C C36 . LMG BC . ? 0.8786 0.8143 0.8172 -0.0261 -0.0190 0.0208 621 LMG B C36 +51760 C C37 . LMG BC . ? 0.8749 0.8107 0.8125 -0.0257 -0.0187 0.0211 621 LMG B C37 +51761 C C38 . LMG BC . ? 1.2488 1.1834 1.1852 -0.0252 -0.0188 0.0215 621 LMG B C38 +51762 C C39 . LMG BC . ? 1.0788 1.0130 1.0140 -0.0251 -0.0182 0.0221 621 LMG B C39 +51763 C C40 . LMG BC . ? 1.1577 1.0929 1.0927 -0.0248 -0.0180 0.0220 621 LMG B C40 +51764 C C41 . LMG BC . ? 1.3884 1.3234 1.3223 -0.0245 -0.0172 0.0226 621 LMG B C41 +51765 C C42 . LMG BC . ? 1.2895 1.2227 1.2218 -0.0243 -0.0171 0.0231 621 LMG B C42 +51766 C C43 . LMG BC . ? 1.5255 1.4581 1.4561 -0.0240 -0.0162 0.0237 621 LMG B C43 +51767 C C1 . HTG CC . ? 1.6216 1.5948 1.5715 0.0032 -0.0144 0.0158 622 HTG B C1 +51768 S S1 . HTG CC . ? 1.0795 1.0573 1.0326 0.0034 -0.0120 0.0156 622 HTG B S1 +51769 C C2 . HTG CC . ? 1.1705 1.1468 1.1239 0.0018 -0.0158 0.0155 622 HTG B C2 +51770 O O2 . HTG CC . ? 0.8987 0.8752 0.8534 -0.0013 -0.0151 0.0159 622 HTG B O2 +51771 C C3 . HTG CC . ? 1.2829 1.2560 1.2337 0.0025 -0.0179 0.0155 622 HTG B C3 +51772 O O3 . HTG CC . ? 1.0252 1.0020 0.9794 0.0019 -0.0192 0.0149 622 HTG B O3 +51773 C C4 . HTG CC . ? 1.3611 1.3321 1.3089 0.0058 -0.0186 0.0152 622 HTG B C4 +51774 O O4 . HTG CC . ? 1.3809 1.3481 1.3256 0.0061 -0.0204 0.0153 622 HTG B O4 +51775 C C5 . HTG CC . ? 1.4182 1.3853 1.3623 0.0065 -0.0172 0.0156 622 HTG B C5 +51776 O O5 . HTG CC . ? 1.5643 1.5347 1.5109 0.0061 -0.0153 0.0155 622 HTG B O5 +51777 C C6 . HTG CC . ? 1.5331 1.4977 1.4740 0.0099 -0.0180 0.0153 622 HTG B C6 +51778 O O6 . HTG CC . ? 1.3291 1.2987 1.2733 0.0123 -0.0182 0.0145 622 HTG B O6 +51779 C "C1'" . HTG CC . ? 0.8025 0.7753 0.7510 0.0031 -0.0103 0.0162 622 HTG B "C1'" +51780 C "C2'" . HTG CC . ? 0.9399 0.9152 0.8908 0.0008 -0.0085 0.0166 622 HTG B "C2'" +51781 C "C3'" . HTG CC . ? 1.1274 1.0983 1.0744 0.0000 -0.0073 0.0173 622 HTG B "C3'" +51782 C "C4'" . HTG CC . ? 1.0783 1.0472 1.0249 -0.0029 -0.0076 0.0179 622 HTG B "C4'" +51783 C "C5'" . HTG CC . ? 1.0924 1.0605 1.0381 -0.0043 -0.0057 0.0185 622 HTG B "C5'" +51784 C "C6'" . HTG CC . ? 1.1285 1.1016 1.0777 -0.0041 -0.0038 0.0182 622 HTG B "C6'" +51785 C "C7'" . HTG CC . ? 1.2364 1.2092 1.1856 -0.0063 -0.0021 0.0189 622 HTG B "C7'" +51786 C C1 . HTG DC . ? 1.3755 1.2862 1.2611 -0.0026 -0.0414 0.0142 623 HTG B C1 +51787 S S1 . HTG DC . ? 1.2553 1.1671 1.1396 -0.0013 -0.0445 0.0130 623 HTG B S1 +51788 C C2 . HTG DC . ? 1.3971 1.3108 1.2856 -0.0012 -0.0420 0.0143 623 HTG B C2 +51789 O O2 . HTG DC . ? 1.0673 0.9772 0.9505 0.0016 -0.0430 0.0147 623 HTG B O2 +51790 C C3 . HTG DC . ? 1.1730 1.0876 1.0645 -0.0026 -0.0397 0.0150 623 HTG B C3 +51791 O O3 . HTG DC . ? 0.9221 0.8409 0.8175 -0.0014 -0.0407 0.0147 623 HTG B O3 +51792 C C4 . HTG DC . ? 1.3698 1.2867 1.2654 -0.0055 -0.0383 0.0148 623 HTG B C4 +51793 O O4 . HTG DC . ? 1.1424 1.0594 1.0399 -0.0067 -0.0362 0.0155 623 HTG B O4 +51794 C C5 . HTG DC . ? 1.3164 1.2295 1.2082 -0.0066 -0.0375 0.0148 623 HTG B C5 +51795 O O5 . HTG DC . ? 1.4905 1.4033 1.3801 -0.0054 -0.0397 0.0141 623 HTG B O5 +51796 C C6 . HTG DC . ? 1.0194 0.9348 0.9152 -0.0092 -0.0362 0.0146 623 HTG B C6 +51797 O O6 . HTG DC . ? 1.1247 1.0361 1.0167 -0.0102 -0.0350 0.0147 623 HTG B O6 +51798 C "C1'" . HTG DC . ? 1.1093 1.0162 0.9883 -0.0023 -0.0438 0.0129 623 HTG B "C1'" +51799 C "C2'" . HTG DC . ? 1.2592 1.1595 1.1317 -0.0019 -0.0418 0.0141 623 HTG B "C2'" +51800 C "C3'" . HTG DC . ? 1.4655 1.3617 1.3317 0.0010 -0.0435 0.0143 623 HTG B "C3'" +51801 C "C4'" . HTG DC . ? 1.4583 1.3472 1.3171 0.0009 -0.0417 0.0152 623 HTG B "C4'" +51802 C "C5'" . HTG DC . ? 1.6737 1.5598 1.5314 0.0004 -0.0391 0.0164 623 HTG B "C5'" +51803 C "C6'" . HTG DC . ? 1.4449 1.3290 1.3024 -0.0024 -0.0360 0.0168 623 HTG B "C6'" +51804 C "C7'" . HTG DC . ? 1.5825 1.4625 1.4347 -0.0026 -0.0356 0.0167 623 HTG B "C7'" +51805 C C1 . GOL EC . ? 0.9349 0.8838 0.8702 -0.0296 -0.0521 -0.0014 624 GOL B C1 +51806 O O1 . GOL EC . ? 1.1339 1.0842 1.0693 -0.0297 -0.0548 -0.0031 624 GOL B O1 +51807 C C2 . GOL EC . ? 0.9606 0.9069 0.8961 -0.0318 -0.0504 -0.0013 624 GOL B C2 +51808 O O2 . GOL EC . ? 1.1978 1.1467 1.1370 -0.0341 -0.0513 -0.0025 624 GOL B O2 +51809 C C3 . GOL EC . ? 1.1263 1.0674 1.0560 -0.0311 -0.0506 -0.0016 624 GOL B C3 +51810 O O3 . GOL EC . ? 0.9788 0.9195 0.9087 -0.0328 -0.0520 -0.0031 624 GOL B O3 +51811 C C1 . HTG FC . ? 0.8989 0.9129 0.8780 0.0070 0.0007 0.0121 625 HTG B C1 +51812 S S1 . HTG FC . ? 1.1227 1.1322 1.0973 0.0059 0.0037 0.0131 625 HTG B S1 +51813 C C2 . HTG FC . ? 1.1787 1.2010 1.1645 0.0077 0.0016 0.0109 625 HTG B C2 +51814 O O2 . HTG FC . ? 1.0439 1.0695 1.0334 0.0042 0.0037 0.0112 625 HTG B O2 +51815 C C3 . HTG FC . ? 1.0772 1.1031 1.0664 0.0088 -0.0012 0.0100 625 HTG B C3 +51816 O O3 . HTG FC . ? 1.3252 1.3593 1.3208 0.0098 -0.0005 0.0087 625 HTG B O3 +51817 C C4 . HTG FC . ? 1.0665 1.0879 1.0512 0.0121 -0.0036 0.0099 625 HTG B C4 +51818 O O4 . HTG FC . ? 1.0942 1.1172 1.0808 0.0125 -0.0065 0.0094 625 HTG B O4 +51819 C C5 . HTG FC . ? 1.1637 1.1765 1.1412 0.0116 -0.0038 0.0111 625 HTG B C5 +51820 O O5 . HTG FC . ? 1.0466 1.0569 1.0218 0.0102 -0.0012 0.0119 625 HTG B O5 +51821 C C6 . HTG FC . ? 1.0345 1.0433 1.0075 0.0154 -0.0052 0.0109 625 HTG B C6 +51822 O O6 . HTG FC . ? 1.2278 1.2365 1.2012 0.0164 -0.0081 0.0105 625 HTG B O6 +51823 C "C1'" . HTG FC . ? 0.9323 0.9328 0.8997 0.0055 0.0020 0.0142 625 HTG B "C1'" +51824 C "C2'" . HTG FC . ? 0.9972 0.9929 0.9596 0.0056 0.0038 0.0148 625 HTG B "C2'" +51825 C "C3'" . HTG FC . ? 0.9445 0.9350 0.9034 0.0030 0.0034 0.0159 625 HTG B "C3'" +51826 C "C4'" . HTG FC . ? 0.9877 0.9730 0.9410 0.0035 0.0047 0.0165 625 HTG B "C4'" +51827 C "C5'" . HTG FC . ? 0.8910 0.8725 0.8419 0.0006 0.0049 0.0175 625 HTG B "C5'" +51828 C "C6'" . HTG FC . ? 0.9889 0.9651 0.9341 0.0012 0.0059 0.0179 625 HTG B "C6'" +51829 C "C7'" . HTG FC . ? 1.2801 1.2557 1.2246 -0.0011 0.0079 0.0187 625 HTG B "C7'" +51830 C C10 . UNL GC . ? 0.8823 0.9271 0.8982 -0.0249 0.0170 0.0122 626 UNL B C10 +51831 C C11 . UNL GC . ? 0.9715 1.0220 0.9938 -0.0285 0.0184 0.0114 626 UNL B C11 +51832 C C12 . UNL GC . ? 1.0097 1.0548 1.0291 -0.0322 0.0191 0.0126 626 UNL B C12 +51833 C C13 . UNL GC . ? 0.9645 1.0039 0.9798 -0.0318 0.0157 0.0131 626 UNL B C13 +51834 C C14 . UNL GC . ? 1.0035 1.0358 1.0139 -0.0345 0.0164 0.0146 626 UNL B C14 +51835 C C15 . UNL GC . ? 0.8165 0.8507 0.8303 -0.0386 0.0185 0.0145 626 UNL B C15 +51836 C C16 . UNL GC . ? 0.6841 0.7115 0.6937 -0.0410 0.0176 0.0156 626 UNL B C16 +51837 C C17 . UNL GC . ? 0.8417 0.8664 0.8497 -0.0441 0.0210 0.0166 626 UNL B C17 +51838 C C18 . UNL GC . ? 0.9343 0.9527 0.9387 -0.0463 0.0200 0.0175 626 UNL B C18 +51839 C C19 . UNL GC . ? 0.8643 0.8775 0.8644 -0.0485 0.0231 0.0190 626 UNL B C19 +51840 C C20 . UNL GC . ? 1.5457 1.5536 1.5393 -0.0458 0.0236 0.0203 626 UNL B C20 +51841 C C21 . UNL GC . ? 1.3951 1.3974 1.3838 -0.0476 0.0265 0.0219 626 UNL B C21 +51842 C C22 . UNL GC . ? 1.5438 1.5502 1.5362 -0.0500 0.0302 0.0216 626 UNL B C22 +51843 C C23 . UNL GC . ? 1.8601 1.9237 1.8907 -0.0284 0.0286 0.0105 626 UNL B C23 +51844 C C24 . UNL GC . ? 1.8107 1.8686 1.8383 -0.0323 0.0286 0.0117 626 UNL B C24 +51845 C C25 . UNL GC . ? 1.8030 1.8635 1.8339 -0.0364 0.0323 0.0118 626 UNL B C25 +51846 C C26 . UNL GC . ? 1.4776 1.5299 1.5024 -0.0392 0.0337 0.0136 626 UNL B C26 +51847 C C27 . UNL GC . ? 1.3478 1.3965 1.3716 -0.0411 0.0306 0.0138 626 UNL B C27 +51848 C C28 . UNL GC . ? 1.1558 1.1952 1.1720 -0.0425 0.0312 0.0157 626 UNL B C28 +51849 C C29 . UNL GC . ? 1.1313 1.1696 1.1473 -0.0462 0.0352 0.0165 626 UNL B C29 +51850 C C30 . UNL GC . ? 1.5007 1.5295 1.5090 -0.0474 0.0354 0.0183 626 UNL B C30 +51851 C C31 . UNL GC . ? 1.4907 1.5174 1.4975 -0.0506 0.0396 0.0193 626 UNL B C31 +51852 C C4 . UNL GC . ? 1.7126 1.7940 1.7580 -0.0202 0.0169 0.0051 626 UNL B C4 +51853 C C5 . UNL GC . ? 1.6842 1.7567 1.7218 -0.0211 0.0188 0.0071 626 UNL B C5 +51854 C C6 . UNL GC . ? 1.7906 1.8638 1.8296 -0.0249 0.0228 0.0077 626 UNL B C6 +51855 C C7 . UNL GC . ? 1.6058 1.6670 1.6340 -0.0187 0.0133 0.0083 626 UNL B C7 +51856 C C8 . UNL GC . ? 1.1880 1.2398 1.2081 -0.0188 0.0131 0.0101 626 UNL B C8 +51857 C C9 . UNL GC . ? 1.4701 1.5192 1.4878 -0.0210 0.0169 0.0112 626 UNL B C9 +51858 O O10 . UNL GC . ? 1.7342 1.8006 1.7659 -0.0280 0.0319 0.0104 626 UNL B O10 +51859 O O6 . UNL GC . ? 1.7432 1.8319 1.7938 -0.0193 0.0195 0.0041 626 UNL B O6 +51860 O O7 . UNL GC . ? 1.4758 1.5416 1.5088 -0.0223 0.0162 0.0081 626 UNL B O7 +51861 O O8 . UNL GC . ? 1.8383 1.9037 1.8699 -0.0250 0.0248 0.0095 626 UNL B O8 +51862 O O9 . UNL GC . ? 1.5254 1.5904 1.5561 -0.0159 0.0110 0.0072 626 UNL B O9 +51863 C C1 . GOL HC . ? 1.2145 1.0642 1.0835 -0.0549 0.0278 0.0471 627 GOL B C1 +51864 O O1 . GOL HC . ? 0.9982 0.8450 0.8653 -0.0524 0.0245 0.0468 627 GOL B O1 +51865 C C2 . GOL HC . ? 1.3159 1.1702 1.1856 -0.0525 0.0276 0.0469 627 GOL B C2 +51866 O O2 . GOL HC . ? 1.5265 1.3763 1.3900 -0.0491 0.0259 0.0477 627 GOL B O2 +51867 C C3 . GOL HC . ? 1.3205 1.1756 1.1901 -0.0551 0.0317 0.0476 627 GOL B C3 +51868 O O3 . GOL HC . ? 1.0740 0.9213 0.9379 -0.0569 0.0340 0.0490 627 GOL B O3 +51869 C C1B . LMT IC . ? 1.8988 1.6347 1.7187 -0.0861 0.0339 0.0487 628 LMT B C1B +51870 C C2B . LMT IC . ? 1.8094 1.5421 1.6254 -0.0802 0.0302 0.0487 628 LMT B C2B +51871 C C3B . LMT IC . ? 1.7469 1.4705 1.5582 -0.0802 0.0292 0.0483 628 LMT B C3B +51872 C C4B . LMT IC . ? 1.6376 1.3522 1.4444 -0.0851 0.0324 0.0489 628 LMT B C4B +51873 C C5B . LMT IC . ? 1.8686 1.5893 1.6812 -0.0906 0.0356 0.0486 628 LMT B C5B +51874 C C6B . LMT IC . ? 1.5257 1.2368 1.3330 -0.0954 0.0392 0.0495 628 LMT B C6B +51875 O O1B . LMT IC . ? 1.8548 1.6004 1.6841 -0.0885 0.0330 0.0465 628 LMT B O1B +51876 O O2B . LMT IC . ? 2.0101 1.7533 1.8338 -0.0783 0.0275 0.0471 628 LMT B O2B +51877 O O3B . LMT IC . ? 1.4598 1.1775 1.2647 -0.0749 0.0270 0.0491 628 LMT B O3B +51878 O "O4'" . LMT IC . ? 1.2601 0.9713 1.0670 -0.0861 0.0311 0.0475 628 LMT B "O4'" +51879 O O5B . LMT IC . ? 2.0586 1.7847 1.8726 -0.0895 0.0367 0.0496 628 LMT B O5B +51880 O O6B . LMT IC . ? 1.7251 1.4366 1.5361 -0.0992 0.0390 0.0477 628 LMT B O6B +51881 C "C1'" . LMT IC . ? 1.4739 1.2519 1.3293 -0.0955 0.0344 0.0427 628 LMT B "C1'" +51882 C "C2'" . LMT IC . ? 1.8637 1.6360 1.7120 -0.0938 0.0366 0.0452 628 LMT B "C2'" +51883 C "C3'" . LMT IC . ? 1.8123 1.5719 1.6503 -0.0913 0.0362 0.0468 628 LMT B "C3'" +51884 C "C4'" . LMT IC . ? 1.7490 1.5016 1.5846 -0.0931 0.0355 0.0459 628 LMT B "C4'" +51885 C "C5'" . LMT IC . ? 1.5803 1.3419 1.4249 -0.0944 0.0333 0.0434 628 LMT B "C5'" +51886 C "C6'" . LMT IC . ? 1.6913 1.4478 1.5349 -0.0960 0.0321 0.0421 628 LMT B "C6'" +51887 O "O1'" . LMT IC . ? 1.3154 1.1028 1.1791 -0.0988 0.0355 0.0414 628 LMT B "O1'" +51888 O "O2'" . LMT IC . ? 1.7726 1.5518 1.6234 -0.0901 0.0352 0.0454 628 LMT B "O2'" +51889 O "O3'" . LMT IC . ? 1.6228 1.3759 1.4546 -0.0924 0.0395 0.0488 628 LMT B "O3'" +51890 O "O5'" . LMT IC . ? 1.4058 1.1756 1.2575 -0.0983 0.0352 0.0425 628 LMT B "O5'" +51891 O "O6'" . LMT IC . ? 1.3380 1.0827 1.1733 -0.0973 0.0342 0.0436 628 LMT B "O6'" +51892 C C1 . LMT IC . ? 1.3157 1.1097 1.1860 -0.0991 0.0327 0.0392 628 LMT B C1 +51893 C C2 . LMT IC . ? 0.9614 0.7673 0.8398 -0.0987 0.0323 0.0383 628 LMT B C2 +51894 C C3 . LMT IC . ? 1.0658 0.8795 0.9509 -0.0978 0.0291 0.0361 628 LMT B C3 +51895 C C4 . LMT IC . ? 1.1540 0.9775 1.0476 -0.1012 0.0303 0.0348 628 LMT B C4 +51896 C C5 . LMT IC . ? 1.1355 0.9669 1.0358 -0.1002 0.0270 0.0327 628 LMT B C5 +51897 C C6 . LMT IC . ? 1.1808 1.0225 1.0894 -0.1027 0.0278 0.0313 628 LMT B C6 +51898 C C7 . LMT IC . ? 1.2117 1.0521 1.1220 -0.1083 0.0306 0.0309 628 LMT B C7 +51899 C C8 . LMT IC . ? 1.0829 0.9303 1.0006 -0.1108 0.0289 0.0284 628 LMT B C8 +51900 C C9 . LMT IC . ? 1.0788 0.9335 1.0009 -0.1073 0.0254 0.0272 628 LMT B C9 +51901 C C10 . LMT IC . ? 1.2971 1.1610 1.2278 -0.1103 0.0248 0.0250 628 LMT B C10 +51902 C C11 . LMT IC . ? 1.1821 1.0428 1.1133 -0.1137 0.0240 0.0234 628 LMT B C11 +51903 C C12 . LMT IC . ? 1.2033 1.0726 1.1416 -0.1138 0.0212 0.0211 628 LMT B C12 +51904 C C1 . GOL JC . ? 1.2597 1.2334 1.2065 0.0111 -0.0125 0.0147 629 GOL B C1 +51905 O O1 . GOL JC . ? 1.2101 1.1798 1.1529 0.0139 -0.0136 0.0145 629 GOL B O1 +51906 C C2 . GOL JC . ? 1.0237 1.0050 0.9767 0.0117 -0.0125 0.0139 629 GOL B C2 +51907 O O2 . GOL JC . ? 0.9669 0.9494 0.9201 0.0148 -0.0139 0.0132 629 GOL B O2 +51908 C C3 . GOL JC . ? 1.0476 1.0322 1.0028 0.0116 -0.0100 0.0138 629 GOL B C3 +51909 O O3 . GOL JC . ? 0.9951 0.9809 0.9500 0.0151 -0.0098 0.0131 629 GOL B O3 +51910 C C1B . LMT KC . ? 1.8613 1.7974 1.7816 0.0041 -0.0214 0.0176 630 LMT B C1B +51911 C C2B . LMT KC . ? 1.5898 1.5196 1.5053 0.0033 -0.0209 0.0179 630 LMT B C2B +51912 C C3B . LMT KC . ? 1.4414 1.3681 1.3535 0.0057 -0.0206 0.0177 630 LMT B C3B +51913 C C4B . LMT KC . ? 1.5126 1.4394 1.4237 0.0087 -0.0217 0.0175 630 LMT B C4B +51914 C C5B . LMT KC . ? 1.7536 1.6874 1.6701 0.0094 -0.0220 0.0171 630 LMT B C5B +51915 C C6B . LMT KC . ? 1.7571 1.6918 1.6731 0.0126 -0.0232 0.0167 630 LMT B C6B +51916 O O1B . LMT KC . ? 1.4926 1.4326 1.4162 0.0034 -0.0203 0.0175 630 LMT B O1B +51917 O O2B . LMT KC . ? 1.4130 1.3432 1.3296 0.0010 -0.0200 0.0181 630 LMT B O2B +51918 O O3B . LMT KC . ? 1.0999 1.0210 1.0078 0.0048 -0.0203 0.0179 630 LMT B O3B +51919 O "O4'" . LMT KC . ? 1.5428 1.4668 1.4507 0.0111 -0.0215 0.0173 630 LMT B "O4'" +51920 O O5B . LMT KC . ? 2.0302 1.9670 1.9499 0.0070 -0.0223 0.0172 630 LMT B O5B +51921 O O6B . LMT KC . ? 1.9288 1.8679 1.8484 0.0124 -0.0243 0.0165 630 LMT B O6B +51922 C "C1'" . LMT KC . ? 1.6691 1.6218 1.6041 -0.0002 -0.0177 0.0175 630 LMT B "C1'" +51923 C "C2'" . LMT KC . ? 1.6246 1.5745 1.5582 -0.0020 -0.0186 0.0178 630 LMT B "C2'" +51924 C "C3'" . LMT KC . ? 1.7931 1.7377 1.7220 -0.0008 -0.0193 0.0178 630 LMT B "C3'" +51925 C "C4'" . LMT KC . ? 1.8640 1.8087 1.7920 0.0019 -0.0203 0.0174 630 LMT B "C4'" +51926 C "C5'" . LMT KC . ? 1.8165 1.7668 1.7484 0.0034 -0.0199 0.0170 630 LMT B "C5'" +51927 C "C6'" . LMT KC . ? 1.9405 1.8957 1.8765 0.0033 -0.0209 0.0166 630 LMT B "C6'" +51928 O "O1'" . LMT KC . ? 1.5742 1.5323 1.5138 -0.0009 -0.0172 0.0173 630 LMT B "O1'" +51929 O "O2'" . LMT KC . ? 1.5719 1.5210 1.5057 -0.0042 -0.0179 0.0182 630 LMT B "O2'" +51930 O "O3'" . LMT KC . ? 1.7426 1.6845 1.6701 -0.0026 -0.0199 0.0181 630 LMT B "O3'" +51931 O "O5'" . LMT KC . ? 1.6574 1.6094 1.5908 0.0027 -0.0183 0.0171 630 LMT B "O5'" +51932 O "O6'" . LMT KC . ? 1.9231 1.8761 1.8578 0.0021 -0.0221 0.0168 630 LMT B "O6'" +51933 C C1 . LMT KC . ? 1.3864 1.3456 1.3269 -0.0017 -0.0155 0.0175 630 LMT B C1 +51934 C C2 . LMT KC . ? 0.9602 0.9244 0.9055 -0.0033 -0.0150 0.0174 630 LMT B C2 +51935 C C3 . LMT KC . ? 0.8679 0.8334 0.8144 -0.0048 -0.0132 0.0177 630 LMT B C3 +51936 C C4 . LMT KC . ? 0.9045 0.8654 0.8476 -0.0063 -0.0129 0.0184 630 LMT B C4 +51937 C C5 . LMT KC . ? 0.9238 0.8832 0.8648 -0.0055 -0.0115 0.0186 630 LMT B C5 +51938 C C6 . LMT KC . ? 0.9558 0.9132 0.8955 -0.0075 -0.0106 0.0192 630 LMT B C6 +51939 C C7 . LMT KC . ? 1.0640 1.0190 1.0006 -0.0064 -0.0095 0.0193 630 LMT B C7 +51940 C C8 . LMT KC . ? 0.9799 0.9363 0.9173 -0.0074 -0.0078 0.0197 630 LMT B C8 +51941 C C9 . LMT KC . ? 1.5480 1.5013 1.4831 -0.0091 -0.0077 0.0203 630 LMT B C9 +51942 C C10 . LMT KC . ? 1.3463 1.2996 1.2805 -0.0092 -0.0059 0.0206 630 LMT B C10 +51943 C C11 . LMT KC . ? 1.3601 1.3104 1.2920 -0.0108 -0.0059 0.0212 630 LMT B C11 +51944 C C12 . LMT KC . ? 1.2339 1.1832 1.1637 -0.0106 -0.0042 0.0216 630 LMT B C12 +51945 C C1B . LMT LC . ? 1.6493 1.5774 1.5682 -0.0088 -0.0214 0.0189 631 LMT B C1B +51946 O O1B . LMT LC . ? 2.2037 2.1362 2.1261 -0.0083 -0.0215 0.0188 631 LMT B O1B +51947 C "C1'" . LMT LC . ? 1.4448 1.3854 1.3742 -0.0095 -0.0190 0.0189 631 LMT B "C1'" +51948 C "C2'" . LMT LC . ? 1.7402 1.6766 1.6656 -0.0083 -0.0191 0.0189 631 LMT B "C2'" +51949 C "C3'" . LMT LC . ? 1.9488 1.8837 1.8727 -0.0073 -0.0201 0.0187 631 LMT B "C3'" +51950 C "C4'" . LMT LC . ? 2.0491 1.9833 1.9733 -0.0092 -0.0206 0.0188 631 LMT B "C4'" +51951 C "C5'" . LMT LC . ? 1.7026 1.6414 1.6310 -0.0102 -0.0206 0.0188 631 LMT B "C5'" +51952 C "C6'" . LMT LC . ? 1.7201 1.6588 1.6496 -0.0124 -0.0203 0.0190 631 LMT B "C6'" +51953 O "O1'" . LMT LC . ? 1.4941 1.4344 1.4241 -0.0114 -0.0185 0.0192 631 LMT B "O1'" +51954 O "O2'" . LMT LC . ? 1.6253 1.5619 1.5501 -0.0067 -0.0186 0.0187 631 LMT B "O2'" +51955 O "O3'" . LMT LC . ? 1.8505 1.7814 1.7706 -0.0061 -0.0202 0.0187 631 LMT B "O3'" +51956 O "O5'" . LMT LC . ? 1.7616 1.7036 1.6923 -0.0096 -0.0200 0.0188 631 LMT B "O5'" +51957 O "O6'" . LMT LC . ? 1.9170 1.8555 1.8464 -0.0128 -0.0211 0.0189 631 LMT B "O6'" +51958 C C1 . LMT LC . ? 1.1046 1.0449 1.0343 -0.0114 -0.0175 0.0193 631 LMT B C1 +51959 C C2 . LMT LC . ? 0.9260 0.8699 0.8591 -0.0124 -0.0170 0.0195 631 LMT B C2 +51960 C C3 . LMT LC . ? 0.8443 0.7903 0.7783 -0.0116 -0.0160 0.0195 631 LMT B C3 +51961 C C4 . LMT LC . ? 0.9838 0.9312 0.9194 -0.0131 -0.0151 0.0198 631 LMT B C4 +51962 C C5 . LMT LC . ? 0.9261 0.8764 0.8634 -0.0124 -0.0140 0.0199 631 LMT B C5 +51963 C C6 . LMT LC . ? 0.9775 0.9266 0.9134 -0.0129 -0.0129 0.0202 631 LMT B C6 +51964 C C7 . LMT LC . ? 1.1153 1.0661 1.0534 -0.0146 -0.0122 0.0206 631 LMT B C7 +51965 C C8 . LMT LC . ? 1.1510 1.1007 1.0874 -0.0147 -0.0110 0.0210 631 LMT B C8 +51966 C C9 . LMT LC . ? 1.0293 0.9784 0.9659 -0.0165 -0.0106 0.0216 631 LMT B C9 +51967 C C10 . LMT LC . ? 1.0598 1.0066 0.9935 -0.0162 -0.0098 0.0219 631 LMT B C10 +51968 C C11 . LMT LC . ? 0.9181 0.8620 0.8499 -0.0172 -0.0106 0.0221 631 LMT B C11 +51969 C C12 . LMT LC . ? 0.9014 0.8432 0.8304 -0.0169 -0.0099 0.0225 631 LMT B C12 +51970 C C1 . LMG MC . ? 1.1936 1.2107 1.2079 -0.0124 0.0299 -0.0203 501 LMG C C1 +51971 O O1 . LMG MC . ? 1.1018 1.1223 1.1196 -0.0086 0.0280 -0.0214 501 LMG C O1 +51972 C C2 . LMG MC . ? 1.1107 1.1333 1.1303 -0.0157 0.0313 -0.0210 501 LMG C C2 +51973 O O2 . LMG MC . ? 1.1019 1.1257 1.1235 -0.0163 0.0279 -0.0205 501 LMG C O2 +51974 C C3 . LMG MC . ? 1.3032 1.3217 1.3185 -0.0194 0.0341 -0.0199 501 LMG C C3 +51975 O O3 . LMG MC . ? 1.1839 1.2080 1.2046 -0.0224 0.0361 -0.0209 501 LMG C O3 +51976 C C4 . LMG MC . ? 1.4687 1.4827 1.4786 -0.0188 0.0371 -0.0197 501 LMG C C4 +51977 O O4 . LMG MC . ? 1.4291 1.4488 1.4437 -0.0186 0.0406 -0.0215 501 LMG C O4 +51978 C C5 . LMG MC . ? 1.7264 1.7354 1.7316 -0.0153 0.0349 -0.0191 501 LMG C C5 +51979 O O5 . LMG MC . ? 1.0692 1.0686 1.0647 -0.0112 0.0342 -0.0183 501 LMG C O5 +51980 C C6 . LMG MC . ? 1.6018 1.6057 1.6011 -0.0142 0.0371 -0.0189 501 LMG C C6 +51981 O O6 . LMG MC . ? 1.2085 1.2224 1.2188 -0.0121 0.0330 -0.0204 501 LMG C O6 +51982 C C7 . LMG MC . ? 1.0769 1.0906 1.0885 -0.0064 0.0260 -0.0203 501 LMG C C7 +51983 C C8 . LMG MC . ? 1.1042 1.1199 1.1183 -0.0024 0.0235 -0.0211 501 LMG C C8 +51984 C C9 . LMG MC . ? 1.4483 1.4720 1.4694 -0.0010 0.0255 -0.0233 501 LMG C C9 +51985 O O7 . LMG MC . ? 1.3173 1.3341 1.3332 -0.0023 0.0199 -0.0205 501 LMG C O7 +51986 C C10 . LMG MC . ? 1.2158 1.2260 1.2262 -0.0005 0.0169 -0.0191 501 LMG C C10 +51987 O O9 . LMG MC . ? 1.2655 1.2709 1.2712 0.0010 0.0177 -0.0188 501 LMG C O9 +51988 C C11 . LMG MC . ? 1.1870 1.1964 1.1975 -0.0004 0.0132 -0.0181 501 LMG C C11 +51989 C C12 . LMG MC . ? 1.3726 1.3778 1.3798 0.0031 0.0107 -0.0177 501 LMG C C12 +51990 C C13 . LMG MC . ? 1.3364 1.3332 1.3361 0.0022 0.0098 -0.0157 501 LMG C C13 +51991 C C14 . LMG MC . ? 1.0455 1.0406 1.0443 0.0011 0.0067 -0.0144 501 LMG C C14 +51992 C C15 . LMG MC . ? 1.1394 1.1288 1.1337 0.0034 0.0041 -0.0133 501 LMG C C15 +51993 C C16 . LMG MC . ? 1.0287 1.0110 1.0164 0.0016 0.0043 -0.0117 501 LMG C C16 +51994 C C17 . LMG MC . ? 1.1102 1.0866 1.0932 0.0038 0.0026 -0.0110 501 LMG C C17 +51995 C C18 . LMG MC . ? 0.8751 0.8514 0.8588 0.0053 -0.0006 -0.0105 501 LMG C C18 +51996 C C19 . LMG MC . ? 1.0820 1.0521 1.0609 0.0076 -0.0021 -0.0098 501 LMG C C19 +51997 C C20 . LMG MC . ? 1.0556 1.0276 1.0367 0.0114 -0.0035 -0.0108 501 LMG C C20 +51998 C C21 . LMG MC . ? 1.2514 1.2246 1.2333 0.0135 -0.0014 -0.0123 501 LMG C C21 +51999 C C22 . LMG MC . ? 1.3715 1.3395 1.3495 0.0167 -0.0026 -0.0123 501 LMG C C22 +52000 C C23 . LMG MC . ? 1.1638 1.1321 1.1429 0.0190 -0.0056 -0.0120 501 LMG C C23 +52001 C C24 . LMG MC . ? 1.5204 1.4837 1.4958 0.0224 -0.0067 -0.0121 501 LMG C C24 +52002 C C25 . LMG MC . ? 1.2526 1.2077 1.2214 0.0212 -0.0074 -0.0105 501 LMG C C25 +52003 O O8 . LMG MC . ? 1.3984 1.4219 1.4194 0.0034 0.0242 -0.0241 501 LMG C O8 +52004 C C28 . LMG MC . ? 1.4196 1.4481 1.4446 0.0055 0.0268 -0.0261 501 LMG C C28 +52005 O O10 . LMG MC . ? 1.5622 1.5963 1.5919 0.0035 0.0296 -0.0272 501 LMG C O10 +52006 C C29 . LMG MC . ? 1.3209 1.3472 1.3440 0.0100 0.0260 -0.0267 501 LMG C C29 +52007 C C30 . LMG MC . ? 1.0377 1.0619 1.0598 0.0123 0.0215 -0.0259 501 LMG C C30 +52008 C C31 . LMG MC . ? 1.1925 1.2120 1.2105 0.0164 0.0207 -0.0261 501 LMG C C31 +52009 C C32 . LMG MC . ? 1.0380 1.0480 1.0474 0.0153 0.0204 -0.0242 501 LMG C C32 +52010 C C33 . LMG MC . ? 1.0338 1.0391 1.0395 0.0194 0.0184 -0.0242 501 LMG C C33 +52011 C C34 . LMG MC . ? 0.9370 0.9331 0.9349 0.0187 0.0165 -0.0222 501 LMG C C34 +52012 C C35 . LMG MC . ? 0.9350 0.9272 0.9302 0.0227 0.0143 -0.0224 501 LMG C C35 +52013 C C36 . LMG MC . ? 1.0257 1.0090 1.0136 0.0220 0.0122 -0.0205 501 LMG C C36 +52014 C C37 . LMG MC . ? 0.9866 0.9658 0.9716 0.0261 0.0106 -0.0208 501 LMG C C37 +52015 C C38 . LMG MC . ? 1.0938 1.0640 1.0714 0.0254 0.0088 -0.0191 501 LMG C C38 +52016 C C39 . LMG MC . ? 1.1489 1.1178 1.1265 0.0262 0.0053 -0.0181 501 LMG C C39 +52017 C C40 . LMG MC . ? 1.1927 1.1529 1.1633 0.0252 0.0036 -0.0164 501 LMG C C40 +52018 C C41 . LMG MC . ? 1.1028 1.0622 1.0736 0.0250 0.0004 -0.0151 501 LMG C C41 +52019 C C42 . LMG MC . ? 1.2150 1.1726 1.1852 0.0291 -0.0016 -0.0155 501 LMG C C42 +52020 C C43 . LMG MC . ? 1.1589 1.1118 1.1259 0.0287 -0.0045 -0.0138 501 LMG C C43 +52021 MG MG . CLA NC . ? 0.8019 0.7495 0.7520 0.0550 0.0338 -0.0354 502 CLA C MG +52022 C CHA . CLA NC . ? 0.6773 0.6069 0.6088 0.0495 0.0362 -0.0341 502 CLA C CHA +52023 C CHB . CLA NC . ? 0.7336 0.6882 0.6894 0.0444 0.0328 -0.0319 502 CLA C CHB +52024 C CHC . CLA NC . ? 0.7558 0.7179 0.7216 0.0608 0.0290 -0.0363 502 CLA C CHC +52025 C CHD . CLA NC . ? 0.7636 0.6978 0.7033 0.0664 0.0331 -0.0384 502 CLA C CHD +52026 N NA . CLA NC . ? 0.7789 0.7219 0.7237 0.0482 0.0343 -0.0333 502 CLA C NA +52027 C C1A . CLA NC . ? 0.7253 0.6619 0.6632 0.0466 0.0355 -0.0330 502 CLA C C1A +52028 C C2A . CLA NC . ? 0.7746 0.7104 0.7108 0.0418 0.0360 -0.0315 502 CLA C C2A +52029 C C3A . CLA NC . ? 0.6731 0.6169 0.6171 0.0402 0.0351 -0.0309 502 CLA C C3A +52030 C C4A . CLA NC . ? 0.7618 0.7092 0.7103 0.0445 0.0341 -0.0321 502 CLA C C4A +52031 C CMA . CLA NC . ? 0.7527 0.7030 0.7007 0.0383 0.0389 -0.0315 502 CLA C CMA +52032 C CAA . CLA NC . ? 0.7012 0.6286 0.6308 0.0398 0.0329 -0.0299 502 CLA C CAA +52033 C CBA . CLA NC . ? 0.7346 0.6592 0.6642 0.0415 0.0290 -0.0293 502 CLA C CBA +52034 C CGA . CLA NC . ? 0.8325 0.7612 0.7668 0.0391 0.0267 -0.0277 502 CLA C CGA +52035 O O1A . CLA NC . ? 0.7415 0.6689 0.6743 0.0354 0.0259 -0.0263 502 CLA C O1A +52036 O O2A . CLA NC . ? 0.8057 0.7399 0.7462 0.0414 0.0252 -0.0280 502 CLA C O2A +52037 N NB . CLA NC . ? 0.8132 0.7701 0.7726 0.0526 0.0313 -0.0342 502 CLA C NB +52038 C C1B . CLA NC . ? 0.7599 0.7194 0.7212 0.0482 0.0315 -0.0329 502 CLA C C1B +52039 C C2B . CLA NC . ? 0.8132 0.7806 0.7822 0.0476 0.0301 -0.0327 502 CLA C C2B +52040 C C3B . CLA NC . ? 0.8175 0.7874 0.7897 0.0526 0.0288 -0.0341 502 CLA C C3B +52041 C C4B . CLA NC . ? 0.8216 0.7844 0.7873 0.0554 0.0298 -0.0348 502 CLA C C4B +52042 C CMB . CLA NC . ? 0.6907 0.6626 0.6635 0.0433 0.0299 -0.0316 502 CLA C CMB +52043 C CAB . CLA NC . ? 0.7609 0.7385 0.7407 0.0542 0.0269 -0.0345 502 CLA C CAB +52044 C CBB . CLA NC . ? 0.9241 0.9007 0.9043 0.0583 0.0244 -0.0349 502 CLA C CBB +52045 N NC . CLA NC . ? 0.8396 0.7878 0.7920 0.0620 0.0317 -0.0370 502 CLA C NC +52046 C C1C . CLA NC . ? 0.7580 0.7123 0.7169 0.0637 0.0297 -0.0370 502 CLA C C1C +52047 C C2C . CLA NC . ? 0.8282 0.7806 0.7867 0.0690 0.0279 -0.0380 502 CLA C C2C +52048 C C3C . CLA NC . ? 0.8286 0.7727 0.7794 0.0705 0.0292 -0.0386 502 CLA C C3C +52049 C C4C . CLA NC . ? 0.8049 0.7472 0.7526 0.0660 0.0314 -0.0379 502 CLA C C4C +52050 C CMC . CLA NC . ? 0.8189 0.7763 0.7831 0.0722 0.0253 -0.0383 502 CLA C CMC +52051 C CAC . CLA NC . ? 0.8744 0.8128 0.8211 0.0756 0.0283 -0.0397 502 CLA C CAC +52052 C CBC . CLA NC . ? 0.8111 0.7398 0.7510 0.0746 0.0248 -0.0379 502 CLA C CBC +52053 N ND . CLA NC . ? 0.7308 0.6661 0.6698 0.0574 0.0343 -0.0361 502 CLA C ND +52054 C C1D . CLA NC . ? 0.8371 0.7677 0.7724 0.0618 0.0343 -0.0374 502 CLA C C1D +52055 C C2D . CLA NC . ? 0.7732 0.6953 0.7000 0.0616 0.0356 -0.0378 502 CLA C C2D +52056 C C3D . CLA NC . ? 0.7642 0.6863 0.6897 0.0565 0.0363 -0.0364 502 CLA C C3D +52057 C C4D . CLA NC . ? 0.8781 0.8078 0.8107 0.0545 0.0356 -0.0355 502 CLA C C4D +52058 C CMD . CLA NC . ? 0.7322 0.6470 0.6525 0.0651 0.0361 -0.0390 502 CLA C CMD +52059 C CAD . CLA NC . ? 0.7928 0.7099 0.7124 0.0527 0.0374 -0.0356 502 CLA C CAD +52060 O OBD . CLA NC . ? 0.8526 0.7624 0.7649 0.0534 0.0381 -0.0362 502 CLA C OBD +52061 C CBD . CLA NC . ? 0.8769 0.7987 0.8001 0.0484 0.0374 -0.0342 502 CLA C CBD +52062 C CGD . CLA NC . ? 0.7480 0.6734 0.6719 0.0469 0.0415 -0.0349 502 CLA C CGD +52063 O O1D . CLA NC . ? 1.0055 0.9388 0.9357 0.0477 0.0440 -0.0358 502 CLA C O1D +52064 O O2D . CLA NC . ? 1.0097 0.9293 0.9266 0.0445 0.0429 -0.0345 502 CLA C O2D +52065 C CED . CLA NC . ? 0.8501 0.7719 0.7665 0.0449 0.0473 -0.0358 502 CLA C CED +52066 C C1 . CLA NC . ? 0.8012 0.7401 0.7466 0.0394 0.0233 -0.0268 502 CLA C C1 +52067 C C2 . CLA NC . ? 0.6893 0.6351 0.6416 0.0425 0.0229 -0.0278 502 CLA C C2 +52068 C C3 . CLA NC . ? 0.8240 0.7702 0.7783 0.0436 0.0197 -0.0271 502 CLA C C3 +52069 C C4 . CLA NC . ? 0.7810 0.7209 0.7309 0.0415 0.0166 -0.0252 502 CLA C C4 +52070 C C5 . CLA NC . ? 0.7537 0.7071 0.7149 0.0470 0.0191 -0.0283 502 CLA C C5 +52071 C C6 . CLA NC . ? 0.7039 0.6651 0.6720 0.0448 0.0184 -0.0278 502 CLA C C6 +52072 C C7 . CLA NC . ? 0.8369 0.8046 0.8113 0.0486 0.0173 -0.0290 502 CLA C C7 +52073 C C8 . CLA NC . ? 0.8257 0.8005 0.8066 0.0465 0.0160 -0.0285 502 CLA C C8 +52074 C C9 . CLA NC . ? 0.7429 0.7233 0.7274 0.0429 0.0190 -0.0288 502 CLA C C9 +52075 C C10 . CLA NC . ? 0.8140 0.7953 0.8011 0.0505 0.0146 -0.0298 502 CLA C C10 +52076 C C11 . CLA NC . ? 0.8434 0.8193 0.8271 0.0534 0.0109 -0.0290 502 CLA C C11 +52077 C C12 . CLA NC . ? 0.8412 0.8237 0.8311 0.0569 0.0089 -0.0301 502 CLA C C12 +52078 C C13 . CLA NC . ? 0.8995 0.8755 0.8850 0.0600 0.0054 -0.0292 502 CLA C C13 +52079 C C14 . CLA NC . ? 0.8188 0.7914 0.8021 0.0571 0.0026 -0.0271 502 CLA C C14 +52080 C C15 . CLA NC . ? 0.8868 0.8677 0.8769 0.0651 0.0040 -0.0308 502 CLA C C15 +52081 C C16 . CLA NC . ? 0.9519 0.9437 0.9510 0.0648 0.0037 -0.0317 502 CLA C C16 +52082 C C17 . CLA NC . ? 0.8957 0.8895 0.8971 0.0697 0.0006 -0.0324 502 CLA C C17 +52083 C C18 . CLA NC . ? 0.9507 0.9562 0.9617 0.0709 0.0005 -0.0342 502 CLA C C18 +52084 C C19 . CLA NC . ? 0.9427 0.9496 0.9554 0.0747 -0.0034 -0.0343 502 CLA C C19 +52085 C C20 . CLA NC . ? 1.0175 1.0292 1.0334 0.0658 0.0016 -0.0339 502 CLA C C20 +52086 MG MG . CLA OC . ? 0.7830 0.6627 0.6872 0.0412 0.0062 -0.0217 503 CLA C MG +52087 C CHA . CLA OC . ? 0.6375 0.5284 0.5463 0.0414 0.0134 -0.0245 503 CLA C CHA +52088 C CHB . CLA OC . ? 0.7157 0.5767 0.6035 0.0411 0.0069 -0.0235 503 CLA C CHB +52089 C CHC . CLA OC . ? 0.7186 0.5865 0.6175 0.0425 0.0000 -0.0192 503 CLA C CHC +52090 C CHD . CLA OC . ? 0.7125 0.6124 0.6342 0.0438 0.0055 -0.0212 503 CLA C CHD +52091 N NA . CLA OC . ? 0.7356 0.6121 0.6347 0.0415 0.0095 -0.0236 503 CLA C NA +52092 C C1A . CLA OC . ? 0.7144 0.5956 0.6157 0.0413 0.0121 -0.0245 503 CLA C C1A +52093 C C2A . CLA OC . ? 0.7616 0.6383 0.6574 0.0412 0.0140 -0.0256 503 CLA C C2A +52094 C C3A . CLA OC . ? 0.7469 0.6142 0.6361 0.0411 0.0118 -0.0253 503 CLA C C3A +52095 C C4A . CLA OC . ? 0.7904 0.6587 0.6827 0.0412 0.0092 -0.0240 503 CLA C C4A +52096 C CMA . CLA OC . ? 0.7374 0.6003 0.6218 0.0371 0.0114 -0.0248 503 CLA C CMA +52097 C CAA . CLA OC . ? 0.7174 0.5962 0.6142 0.0451 0.0166 -0.0275 503 CLA C CAA +52098 C CBA . CLA OC . ? 0.7843 0.6614 0.6815 0.0493 0.0153 -0.0281 503 CLA C CBA +52099 C CGA . CLA OC . ? 0.8755 0.7574 0.7759 0.0533 0.0179 -0.0300 503 CLA C CGA +52100 O O1A . CLA OC . ? 0.8290 0.7113 0.7278 0.0537 0.0206 -0.0312 503 CLA C O1A +52101 O O2A . CLA OC . ? 0.8493 0.7359 0.7549 0.0567 0.0171 -0.0303 503 CLA C O2A +52102 N NB . CLA OC . ? 0.7407 0.6075 0.6359 0.0417 0.0039 -0.0214 503 CLA C NB +52103 C C1B . CLA OC . ? 0.6788 0.5389 0.5679 0.0413 0.0044 -0.0222 503 CLA C C1B +52104 C C2B . CLA OC . ? 0.8042 0.6554 0.6877 0.0411 0.0022 -0.0217 503 CLA C C2B +52105 C C3B . CLA OC . ? 0.7246 0.5781 0.6116 0.0415 0.0003 -0.0203 503 CLA C C3B +52106 C C4B . CLA OC . ? 0.8077 0.6709 0.7018 0.0419 0.0014 -0.0203 503 CLA C C4B +52107 C CMB . CLA OC . ? 0.7629 0.6050 0.6391 0.0405 0.0020 -0.0224 503 CLA C CMB +52108 C CAB . CLA OC . ? 0.7574 0.6047 0.6414 0.0415 -0.0021 -0.0192 503 CLA C CAB +52109 C CBB . CLA OC . ? 0.9544 0.7958 0.8341 0.0382 -0.0032 -0.0185 503 CLA C CBB +52110 N NC . CLA OC . ? 0.7997 0.6830 0.7090 0.0431 0.0034 -0.0205 503 CLA C NC +52111 C C1C . CLA OC . ? 0.7647 0.6422 0.6708 0.0431 0.0009 -0.0194 503 CLA C C1C +52112 C C2C . CLA OC . ? 0.6961 0.5774 0.6064 0.0438 -0.0009 -0.0184 503 CLA C C2C +52113 C C3C . CLA OC . ? 0.7056 0.5964 0.6226 0.0442 0.0006 -0.0190 503 CLA C C3C +52114 C C4C . CLA OC . ? 0.6456 0.5368 0.5614 0.0437 0.0033 -0.0203 503 CLA C C4C +52115 C CMC . CLA OC . ? 0.7245 0.6012 0.6326 0.0439 -0.0036 -0.0170 503 CLA C CMC +52116 C CAC . CLA OC . ? 0.8125 0.7107 0.7359 0.0448 -0.0004 -0.0186 503 CLA C CAC +52117 C CBC . CLA OC . ? 0.7481 0.6477 0.6726 0.0404 -0.0013 -0.0169 503 CLA C CBC +52118 N ND . CLA OC . ? 0.7128 0.6051 0.6261 0.0425 0.0087 -0.0226 503 CLA C ND +52119 C C1D . CLA OC . ? 0.6555 0.5559 0.5760 0.0430 0.0083 -0.0223 503 CLA C C1D +52120 C C2D . CLA OC . ? 0.6674 0.5757 0.5930 0.0425 0.0109 -0.0231 503 CLA C C2D +52121 C C3D . CLA OC . ? 0.6902 0.5945 0.6110 0.0418 0.0131 -0.0239 503 CLA C C3D +52122 C C4D . CLA OC . ? 0.6195 0.5150 0.5336 0.0419 0.0116 -0.0236 503 CLA C C4D +52123 C CMD . CLA OC . ? 0.7371 0.6551 0.6706 0.0425 0.0116 -0.0233 503 CLA C CMD +52124 C CAD . CLA OC . ? 0.7130 0.6187 0.6329 0.0411 0.0164 -0.0250 503 CLA C CAD +52125 O OBD . CLA OC . ? 0.7666 0.6798 0.6916 0.0405 0.0186 -0.0255 503 CLA C OBD +52126 C CBD . CLA OC . ? 0.6766 0.5739 0.5888 0.0408 0.0166 -0.0253 503 CLA C CBD +52127 C CGD . CLA OC . ? 0.7678 0.6640 0.6777 0.0364 0.0169 -0.0243 503 CLA C CGD +52128 O O1D . CLA OC . ? 0.7394 0.6312 0.6442 0.0355 0.0181 -0.0248 503 CLA C O1D +52129 O O2D . CLA OC . ? 0.7996 0.6998 0.7132 0.0332 0.0158 -0.0227 503 CLA C O2D +52130 C CED . CLA OC . ? 0.6697 0.5679 0.5803 0.0294 0.0159 -0.0218 503 CLA C CED +52131 C C1 . CLA OC . ? 0.8904 0.7829 0.8002 0.0602 0.0195 -0.0320 503 CLA C C1 +52132 C C2 . CLA OC . ? 0.9532 0.8403 0.8593 0.0649 0.0193 -0.0334 503 CLA C C2 +52133 C C3 . CLA OC . ? 0.9901 0.8812 0.9005 0.0691 0.0187 -0.0341 503 CLA C C3 +52134 C C4 . CLA OC . ? 0.8642 0.7653 0.7832 0.0688 0.0184 -0.0337 503 CLA C C4 +52135 C C5 . CLA OC . ? 0.9210 0.8065 0.8275 0.0740 0.0185 -0.0355 503 CLA C C5 +52136 C C6 . CLA OC . ? 0.9690 0.8594 0.8782 0.0776 0.0217 -0.0377 503 CLA C C6 +52137 C C7 . CLA OC . ? 0.9070 0.7996 0.8158 0.0748 0.0251 -0.0382 503 CLA C C7 +52138 C C8 . CLA OC . ? 0.8966 0.7948 0.8086 0.0782 0.0285 -0.0404 503 CLA C C8 +52139 C C9 . CLA OC . ? 0.8761 0.7859 0.7979 0.0791 0.0292 -0.0408 503 CLA C C9 +52140 C C10 . CLA OC . ? 0.9463 0.8431 0.8549 0.0755 0.0316 -0.0409 503 CLA C C10 +52141 C C11 . CLA OC . ? 0.8447 0.7469 0.7560 0.0781 0.0356 -0.0429 503 CLA C C11 +52142 C C12 . CLA OC . ? 0.9914 0.8898 0.8972 0.0750 0.0381 -0.0430 503 CLA C C12 +52143 C C13 . CLA OC . ? 0.9763 0.8798 0.8841 0.0766 0.0426 -0.0449 503 CLA C C13 +52144 C C14 . CLA OC . ? 0.9733 0.8734 0.8760 0.0729 0.0448 -0.0446 503 CLA C C14 +52145 C C15 . CLA OC . ? 1.2221 1.1221 1.1272 0.0821 0.0433 -0.0468 503 CLA C C15 +52146 C C16 . CLA OC . ? 1.0518 0.9487 0.9519 0.0831 0.0471 -0.0484 503 CLA C C16 +52147 C C17 . CLA OC . ? 1.1689 1.0752 1.0758 0.0861 0.0508 -0.0503 503 CLA C C17 +52148 C C18 . CLA OC . ? 1.1877 1.0897 1.0899 0.0906 0.0531 -0.0524 503 CLA C C18 +52149 C C19 . CLA OC . ? 1.2125 1.1239 1.1228 0.0950 0.0551 -0.0543 503 CLA C C19 +52150 C C20 . CLA OC . ? 1.1388 1.0372 1.0351 0.0885 0.0565 -0.0530 503 CLA C C20 +52151 MG MG . CLA PC . ? 0.8486 0.7091 0.7319 0.0737 0.0215 -0.0378 504 CLA C MG +52152 C CHA . CLA PC . ? 0.7924 0.6550 0.6747 0.0612 0.0217 -0.0348 504 CLA C CHA +52153 C CHB . CLA PC . ? 0.8735 0.7438 0.7594 0.0757 0.0304 -0.0415 504 CLA C CHB +52154 C CHC . CLA PC . ? 0.8545 0.7187 0.7432 0.0865 0.0210 -0.0405 504 CLA C CHC +52155 C CHD . CLA PC . ? 0.9040 0.7593 0.7882 0.0702 0.0131 -0.0332 504 CLA C CHD +52156 N NA . CLA PC . ? 0.8391 0.7049 0.7234 0.0693 0.0253 -0.0381 504 CLA C NA +52157 C C1A . CLA PC . ? 0.9093 0.7746 0.7923 0.0646 0.0250 -0.0368 504 CLA C C1A +52158 C C2A . CLA PC . ? 0.8992 0.7664 0.7810 0.0627 0.0282 -0.0375 504 CLA C C2A +52159 C C3A . CLA PC . ? 0.8521 0.7220 0.7353 0.0673 0.0311 -0.0396 504 CLA C C3A +52160 C C4A . CLA PC . ? 0.9010 0.7695 0.7855 0.0710 0.0287 -0.0397 504 CLA C C4A +52161 C CMA . CLA PC . ? 0.8565 0.7193 0.7319 0.0681 0.0329 -0.0410 504 CLA C CMA +52162 C CAA . CLA PC . ? 0.7675 0.6427 0.6549 0.0591 0.0292 -0.0364 504 CLA C CAA +52163 C CBA . CLA PC . ? 0.8816 0.7667 0.7782 0.0604 0.0295 -0.0363 504 CLA C CBA +52164 C CGA . CLA PC . ? 0.7505 0.6411 0.6516 0.0562 0.0289 -0.0346 504 CLA C CGA +52165 O O1A . CLA PC . ? 0.7852 0.6742 0.6838 0.0524 0.0292 -0.0338 504 CLA C O1A +52166 O O2A . CLA PC . ? 0.8367 0.7347 0.7455 0.0566 0.0276 -0.0340 504 CLA C O2A +52167 N NB . CLA PC . ? 0.9135 0.7802 0.8006 0.0800 0.0252 -0.0406 504 CLA C NB +52168 C C1B . CLA PC . ? 0.9484 0.8182 0.8359 0.0803 0.0287 -0.0420 504 CLA C C1B +52169 C C2B . CLA PC . ? 0.9037 0.7768 0.7935 0.0856 0.0308 -0.0441 504 CLA C C2B +52170 C C3B . CLA PC . ? 0.9822 0.8536 0.8730 0.0889 0.0278 -0.0438 504 CLA C C3B +52171 C C4B . CLA PC . ? 0.8395 0.7068 0.7284 0.0850 0.0245 -0.0415 504 CLA C C4B +52172 C CMB . CLA PC . ? 1.0198 0.8969 0.9107 0.0874 0.0350 -0.0460 504 CLA C CMB +52173 C CAB . CLA PC . ? 1.0019 0.8752 0.8949 0.0950 0.0283 -0.0454 504 CLA C CAB +52174 C CBB . CLA PC . ? 1.2018 1.0792 1.0998 0.0975 0.0263 -0.0451 504 CLA C CBB +52175 N NC . CLA PC . ? 0.9477 0.8072 0.8333 0.0773 0.0177 -0.0370 504 CLA C NC +52176 C C1C . CLA PC . ? 0.8773 0.7389 0.7653 0.0826 0.0180 -0.0382 504 CLA C C1C +52177 C C2C . CLA PC . ? 0.9193 0.7804 0.8090 0.0844 0.0149 -0.0372 504 CLA C C2C +52178 C C3C . CLA PC . ? 1.0022 0.8605 0.8904 0.0795 0.0128 -0.0350 504 CLA C C3C +52179 C C4C . CLA PC . ? 0.9321 0.7898 0.8180 0.0755 0.0147 -0.0351 504 CLA C C4C +52180 C CMC . CLA PC . ? 0.9738 0.8367 0.8660 0.0901 0.0142 -0.0381 504 CLA C CMC +52181 C CAC . CLA PC . ? 0.8359 0.6926 0.7246 0.0786 0.0094 -0.0332 504 CLA C CAC +52182 C CBC . CLA PC . ? 0.8596 0.7266 0.7565 0.0766 0.0093 -0.0323 504 CLA C CBC +52183 N ND . CLA PC . ? 0.8720 0.7320 0.7561 0.0675 0.0181 -0.0348 504 CLA C ND +52184 C C1D . CLA PC . ? 0.7532 0.6102 0.6369 0.0662 0.0148 -0.0331 504 CLA C C1D +52185 C C2D . CLA PC . ? 0.8188 0.6744 0.7013 0.0610 0.0135 -0.0314 504 CLA C C2D +52186 C C3D . CLA PC . ? 0.7338 0.5919 0.6160 0.0591 0.0162 -0.0322 504 CLA C C3D +52187 C C4D . CLA PC . ? 0.7350 0.5953 0.6180 0.0629 0.0187 -0.0340 504 CLA C C4D +52188 C CMD . CLA PC . ? 0.8116 0.6644 0.6934 0.0579 0.0104 -0.0294 504 CLA C CMD +52189 C CAD . CLA PC . ? 0.8023 0.6612 0.6833 0.0548 0.0173 -0.0317 504 CLA C CAD +52190 O OBD . CLA PC . ? 0.8892 0.7467 0.7693 0.0508 0.0155 -0.0301 504 CLA C OBD +52191 C CBD . CLA PC . ? 0.9362 0.7977 0.8171 0.0561 0.0207 -0.0333 504 CLA C CBD +52192 C CGD . CLA PC . ? 0.9221 0.7760 0.7952 0.0546 0.0213 -0.0338 504 CLA C CGD +52193 O O1D . CLA PC . ? 0.8372 0.6924 0.7093 0.0522 0.0229 -0.0339 504 CLA C O1D +52194 O O2D . CLA PC . ? 0.8046 0.6489 0.6709 0.0561 0.0197 -0.0344 504 CLA C O2D +52195 C CED . CLA PC . ? 0.8218 0.6605 0.6817 0.0564 0.0212 -0.0358 504 CLA C CED +52196 C C1 . CLA PC . ? 0.8099 0.7132 0.7229 0.0527 0.0274 -0.0326 504 CLA C C1 +52197 C C2 . CLA PC . ? 0.8418 0.7544 0.7635 0.0542 0.0274 -0.0328 504 CLA C C2 +52198 C C3 . CLA PC . ? 0.8918 0.8063 0.8167 0.0532 0.0245 -0.0315 504 CLA C C3 +52199 C C4 . CLA PC . ? 0.7449 0.6525 0.6650 0.0506 0.0215 -0.0297 504 CLA C C4 +52200 C C5 . CLA PC . ? 0.7163 0.6402 0.6499 0.0547 0.0245 -0.0318 504 CLA C C5 +52201 C C6 . CLA PC . ? 0.8690 0.7927 0.8040 0.0593 0.0226 -0.0325 504 CLA C C6 +52202 C C7 . CLA PC . ? 1.0018 0.9349 0.9454 0.0603 0.0218 -0.0327 504 CLA C C7 +52203 C C8 . CLA PC . ? 0.9381 0.8723 0.8835 0.0567 0.0193 -0.0307 504 CLA C C8 +52204 C C9 . CLA PC . ? 0.8889 0.8314 0.8422 0.0583 0.0180 -0.0309 504 CLA C C9 +52205 C C10 . CLA PC . ? 0.9275 0.8523 0.8663 0.0562 0.0162 -0.0292 504 CLA C C10 +52206 C C11 . CLA PC . ? 0.7815 0.7033 0.7194 0.0605 0.0138 -0.0295 504 CLA C C11 +52207 C C12 . CLA PC . ? 0.8413 0.7520 0.7708 0.0605 0.0119 -0.0286 504 CLA C C12 +52208 C C13 . CLA PC . ? 0.8471 0.7544 0.7743 0.0562 0.0098 -0.0265 504 CLA C C13 +52209 C C14 . CLA PC . ? 0.7197 0.6308 0.6512 0.0561 0.0073 -0.0254 504 CLA C C14 +52210 C C15 . CLA PC . ? 0.9912 0.8877 0.9102 0.0559 0.0084 -0.0259 504 CLA C C15 +52211 C C16 . CLA PC . ? 0.8405 0.7320 0.7541 0.0547 0.0104 -0.0266 504 CLA C C16 +52212 C C17 . CLA PC . ? 0.8238 0.7051 0.7298 0.0531 0.0086 -0.0257 504 CLA C C17 +52213 C C18 . CLA PC . ? 0.9591 0.8339 0.8612 0.0569 0.0071 -0.0261 504 CLA C C18 +52214 C C19 . CLA PC . ? 0.7766 0.6522 0.6787 0.0613 0.0092 -0.0282 504 CLA C C19 +52215 C C20 . CLA PC . ? 0.6743 0.5390 0.5689 0.0550 0.0056 -0.0254 504 CLA C C20 +52216 MG MG . CLA QC . ? 0.8000 0.6250 0.6576 0.0228 -0.0005 -0.0219 505 CLA C MG +52217 C CHA . CLA QC . ? 0.8181 0.6343 0.6653 0.0161 -0.0022 -0.0230 505 CLA C CHA +52218 C CHB . CLA QC . ? 0.7853 0.6274 0.6533 0.0191 0.0017 -0.0201 505 CLA C CHB +52219 C CHC . CLA QC . ? 0.7991 0.6321 0.6669 0.0284 -0.0009 -0.0203 505 CLA C CHC +52220 C CHD . CLA QC . ? 0.7982 0.6023 0.6433 0.0254 -0.0033 -0.0235 505 CLA C CHD +52221 N NA . CLA QC . ? 0.8710 0.6996 0.7287 0.0184 -0.0003 -0.0215 505 CLA C NA +52222 C C1A . CLA QC . ? 0.7605 0.5852 0.6138 0.0163 -0.0008 -0.0220 505 CLA C C1A +52223 C C2A . CLA QC . ? 0.7918 0.6210 0.6465 0.0138 -0.0004 -0.0215 505 CLA C C2A +52224 C C3A . CLA QC . ? 0.7056 0.5426 0.5666 0.0149 0.0011 -0.0206 505 CLA C C3A +52225 C C4A . CLA QC . ? 0.7626 0.5985 0.6250 0.0177 0.0009 -0.0207 505 CLA C C4A +52226 C CMA . CLA QC . ? 0.7319 0.5714 0.5925 0.0166 0.0039 -0.0217 505 CLA C CMA +52227 C CAA . CLA QC . ? 0.6435 0.4721 0.4987 0.0102 -0.0029 -0.0202 505 CLA C CAA +52228 C CBA . CLA QC . ? 0.8079 0.6382 0.6672 0.0099 -0.0042 -0.0188 505 CLA C CBA +52229 C CGA . CLA QC . ? 0.7024 0.5315 0.5619 0.0065 -0.0066 -0.0177 505 CLA C CGA +52230 O O1A . CLA QC . ? 0.7977 0.6250 0.6547 0.0040 -0.0076 -0.0179 505 CLA C O1A +52231 O O2A . CLA QC . ? 0.7950 0.6253 0.6578 0.0062 -0.0077 -0.0164 505 CLA C O2A +52232 N NB . CLA QC . ? 0.8427 0.6789 0.7096 0.0234 0.0003 -0.0204 505 CLA C NB +52233 C C1B . CLA QC . ? 0.8298 0.6724 0.7003 0.0220 0.0014 -0.0200 505 CLA C C1B +52234 C C2B . CLA QC . ? 0.8298 0.6799 0.7069 0.0233 0.0021 -0.0193 505 CLA C C2B +52235 C C3B . CLA QC . ? 0.8452 0.6925 0.7221 0.0261 0.0012 -0.0194 505 CLA C C3B +52236 C C4B . CLA QC . ? 0.8358 0.6744 0.7061 0.0259 0.0002 -0.0201 505 CLA C C4B +52237 C CMB . CLA QC . ? 0.7741 0.6320 0.6562 0.0220 0.0033 -0.0186 505 CLA C CMB +52238 C CAB . CLA QC . ? 0.7981 0.6497 0.6798 0.0287 0.0010 -0.0190 505 CLA C CAB +52239 C CBB . CLA QC . ? 0.9182 0.7760 0.8041 0.0309 0.0028 -0.0197 505 CLA C CBB +52240 N NC . CLA QC . ? 0.9091 0.7288 0.7657 0.0263 -0.0017 -0.0219 505 CLA C NC +52241 C C1C . CLA QC . ? 0.9038 0.7276 0.7650 0.0282 -0.0018 -0.0211 505 CLA C C1C +52242 C C2C . CLA QC . ? 0.8087 0.6270 0.6677 0.0301 -0.0032 -0.0209 505 CLA C C2C +52243 C C3C . CLA QC . ? 0.7967 0.6063 0.6490 0.0291 -0.0038 -0.0218 505 CLA C C3C +52244 C C4C . CLA QC . ? 0.7931 0.6046 0.6446 0.0268 -0.0029 -0.0224 505 CLA C C4C +52245 C CMC . CLA QC . ? 0.7218 0.5424 0.5843 0.0326 -0.0038 -0.0200 505 CLA C CMC +52246 C CAC . CLA QC . ? 0.7864 0.5871 0.6335 0.0301 -0.0051 -0.0221 505 CLA C CAC +52247 C CBC . CLA QC . ? 0.8792 0.6779 0.7263 0.0263 -0.0071 -0.0205 505 CLA C CBC +52248 N ND . CLA QC . ? 0.8778 0.6912 0.7266 0.0213 -0.0022 -0.0230 505 CLA C ND +52249 C C1D . CLA QC . ? 0.8020 0.6073 0.6460 0.0223 -0.0033 -0.0237 505 CLA C C1D +52250 C C2D . CLA QC . ? 0.8860 0.6845 0.7241 0.0201 -0.0044 -0.0246 505 CLA C C2D +52251 C C3D . CLA QC . ? 0.7802 0.5836 0.6200 0.0176 -0.0040 -0.0244 505 CLA C C3D +52252 C C4D . CLA QC . ? 0.8002 0.6117 0.6459 0.0184 -0.0027 -0.0234 505 CLA C C4D +52253 C CMD . CLA QC . ? 0.7390 0.5281 0.5710 0.0199 -0.0056 -0.0256 505 CLA C CMD +52254 C CAD . CLA QC . ? 0.8791 0.6821 0.7165 0.0146 -0.0044 -0.0247 505 CLA C CAD +52255 O OBD . CLA QC . ? 0.7625 0.5591 0.5946 0.0131 -0.0057 -0.0257 505 CLA C OBD +52256 C CBD . CLA QC . ? 0.7659 0.5768 0.6078 0.0137 -0.0033 -0.0238 505 CLA C CBD +52257 C CGD . CLA QC . ? 0.8628 0.6738 0.7017 0.0148 -0.0014 -0.0251 505 CLA C CGD +52258 O O1D . CLA QC . ? 0.7889 0.6029 0.6281 0.0129 -0.0012 -0.0249 505 CLA C O1D +52259 O O2D . CLA QC . ? 0.8886 0.6965 0.7244 0.0183 0.0004 -0.0267 505 CLA C O2D +52260 C CED . CLA QC . ? 0.8370 0.6456 0.6704 0.0193 0.0025 -0.0279 505 CLA C CED +52261 C C1 . CLA QC . ? 0.8632 0.6914 0.7259 0.0034 -0.0098 -0.0154 505 CLA C C1 +52262 C C2 . CLA QC . ? 0.9610 0.7941 0.8290 0.0034 -0.0100 -0.0138 505 CLA C C2 +52263 C C3 . CLA QC . ? 1.0306 0.8613 0.8989 0.0041 -0.0108 -0.0132 505 CLA C C3 +52264 C C4 . CLA QC . ? 1.1754 0.9982 1.0389 0.0047 -0.0116 -0.0140 505 CLA C C4 +52265 C C5 . CLA QC . ? 1.1024 0.9382 0.9757 0.0042 -0.0111 -0.0116 505 CLA C C5 +52266 C C6 . CLA QC . ? 1.2343 1.0676 1.1075 0.0069 -0.0112 -0.0114 505 CLA C C6 +52267 C C7 . CLA QC . ? 1.2944 1.1310 1.1715 0.0062 -0.0121 -0.0097 505 CLA C C7 +52268 C C8 . CLA QC . ? 1.5187 1.3535 1.3958 0.0094 -0.0122 -0.0095 505 CLA C C8 +52269 C C9 . CLA QC . ? 1.4491 1.2756 1.3214 0.0091 -0.0132 -0.0095 505 CLA C C9 +52270 C C10 . CLA QC . ? 1.3405 1.1809 1.2224 0.0096 -0.0125 -0.0081 505 CLA C C10 +52271 C C11 . CLA QC . ? 1.5487 1.3898 1.4317 0.0137 -0.0122 -0.0083 505 CLA C C11 +52272 C C12 . CLA QC . ? 1.3492 1.1974 1.2377 0.0143 -0.0123 -0.0073 505 CLA C C12 +52273 C C13 . CLA QC . ? 1.2568 1.1057 1.1465 0.0183 -0.0123 -0.0075 505 CLA C C13 +52274 C C14 . CLA QC . ? 1.3160 1.1633 1.2039 0.0214 -0.0110 -0.0092 505 CLA C C14 +52275 C C15 . CLA QC . ? 1.7525 1.5959 1.6395 0.0188 -0.0138 -0.0065 505 CLA C C15 +52276 C C16 . CLA QC . ? 1.7364 1.5842 1.6272 0.0193 -0.0146 -0.0052 505 CLA C C16 +52277 C C17 . CLA QC . ? 1.3534 1.1959 1.2415 0.0184 -0.0161 -0.0037 505 CLA C C17 +52278 C C18 . CLA QC . ? 1.2576 1.1046 1.1492 0.0190 -0.0169 -0.0025 505 CLA C C18 +52279 C C19 . CLA QC . ? 1.1805 1.0319 1.0752 0.0232 -0.0168 -0.0033 505 CLA C C19 +52280 C C20 . CLA QC . ? 1.1516 0.9929 1.0400 0.0184 -0.0182 -0.0011 505 CLA C C20 +52281 MG MG . CLA RC . ? 0.7238 0.6813 0.6973 0.0495 -0.0196 -0.0149 506 CLA C MG +52282 C CHA . CLA RC . ? 0.7598 0.7214 0.7367 0.0602 -0.0257 -0.0164 506 CLA C CHA +52283 C CHB . CLA RC . ? 0.6716 0.6246 0.6411 0.0444 -0.0239 -0.0109 506 CLA C CHB +52284 C CHC . CLA RC . ? 0.6555 0.6129 0.6283 0.0395 -0.0139 -0.0140 506 CLA C CHC +52285 C CHD . CLA RC . ? 0.7098 0.6759 0.6903 0.0555 -0.0144 -0.0198 506 CLA C CHD +52286 N NA . CLA RC . ? 0.7775 0.7349 0.7508 0.0517 -0.0240 -0.0138 506 CLA C NA +52287 C C1A . CLA RC . ? 0.6728 0.6305 0.6464 0.0560 -0.0261 -0.0143 506 CLA C C1A +52288 C C2A . CLA RC . ? 0.7883 0.7429 0.7591 0.0566 -0.0291 -0.0129 506 CLA C C2A +52289 C C3A . CLA RC . ? 0.7100 0.6620 0.6786 0.0514 -0.0284 -0.0112 506 CLA C C3A +52290 C C4A . CLA RC . ? 0.8197 0.7740 0.7904 0.0489 -0.0252 -0.0120 506 CLA C C4A +52291 C CMA . CLA RC . ? 0.6171 0.5587 0.5776 0.0510 -0.0289 -0.0093 506 CLA C CMA +52292 C CAA . CLA RC . ? 0.7092 0.6716 0.6858 0.0584 -0.0313 -0.0139 506 CLA C CAA +52293 C CBA . CLA RC . ? 0.6913 0.6622 0.6744 0.0549 -0.0304 -0.0146 506 CLA C CBA +52294 C CGA . CLA RC . ? 0.6943 0.6722 0.6834 0.0547 -0.0278 -0.0166 506 CLA C CGA +52295 O O1A . CLA RC . ? 0.8165 0.7993 0.8096 0.0582 -0.0280 -0.0184 506 CLA C O1A +52296 O O2A . CLA RC . ? 0.7448 0.7236 0.7347 0.0503 -0.0249 -0.0164 506 CLA C O2A +52297 N NB . CLA RC . ? 0.6771 0.6329 0.6490 0.0428 -0.0190 -0.0128 506 CLA C NB +52298 C C1B . CLA RC . ? 0.7125 0.6666 0.6829 0.0413 -0.0210 -0.0113 506 CLA C C1B +52299 C C2B . CLA RC . ? 0.7611 0.7145 0.7306 0.0364 -0.0199 -0.0101 506 CLA C C2B +52300 C C3B . CLA RC . ? 0.7493 0.7039 0.7197 0.0351 -0.0171 -0.0110 506 CLA C C3B +52301 C C4B . CLA RC . ? 0.6487 0.6047 0.6204 0.0392 -0.0166 -0.0126 506 CLA C C4B +52302 C CMB . CLA RC . ? 0.6928 0.6446 0.6608 0.0335 -0.0213 -0.0084 506 CLA C CMB +52303 C CAB . CLA RC . ? 0.6909 0.6451 0.6607 0.0307 -0.0152 -0.0103 506 CLA C CAB +52304 C CBB . CLA RC . ? 1.0056 0.9583 0.9739 0.0297 -0.0128 -0.0108 506 CLA C CBB +52305 N NC . CLA RC . ? 0.7236 0.6852 0.7002 0.0477 -0.0151 -0.0166 506 CLA C NC +52306 C C1C . CLA RC . ? 0.8404 0.8001 0.8152 0.0436 -0.0132 -0.0158 506 CLA C C1C +52307 C C2C . CLA RC . ? 0.7529 0.7128 0.7275 0.0434 -0.0101 -0.0169 506 CLA C C2C +52308 C C3C . CLA RC . ? 0.8309 0.7934 0.8078 0.0480 -0.0102 -0.0186 506 CLA C C3C +52309 C C4C . CLA RC . ? 0.7681 0.7315 0.7461 0.0504 -0.0134 -0.0183 506 CLA C C4C +52310 C CMC . CLA RC . ? 0.7962 0.7541 0.7686 0.0396 -0.0077 -0.0165 506 CLA C CMC +52311 C CAC . CLA RC . ? 0.7067 0.6705 0.6844 0.0501 -0.0076 -0.0204 506 CLA C CAC +52312 C CBC . CLA RC . ? 0.8200 0.7941 0.8058 0.0500 -0.0061 -0.0220 506 CLA C CBC +52313 N ND . CLA RC . ? 0.7299 0.6926 0.7078 0.0560 -0.0197 -0.0175 506 CLA C ND +52314 C C1D . CLA RC . ? 0.8702 0.8366 0.8511 0.0582 -0.0177 -0.0194 506 CLA C C1D +52315 C C2D . CLA RC . ? 0.8920 0.8623 0.8761 0.0634 -0.0191 -0.0210 506 CLA C C2D +52316 C C3D . CLA RC . ? 0.7675 0.7359 0.7500 0.0642 -0.0225 -0.0197 506 CLA C C3D +52317 C C4D . CLA RC . ? 0.7912 0.7555 0.7704 0.0597 -0.0225 -0.0178 506 CLA C C4D +52318 C CMD . CLA RC . ? 0.6945 0.6696 0.6825 0.0674 -0.0179 -0.0232 506 CLA C CMD +52319 C CAD . CLA RC . ? 0.8110 0.7802 0.7940 0.0679 -0.0259 -0.0197 506 CLA C CAD +52320 O OBD . CLA RC . ? 0.7445 0.7173 0.7304 0.0726 -0.0270 -0.0213 506 CLA C OBD +52321 C CBD . CLA RC . ? 0.8042 0.7691 0.7836 0.0654 -0.0279 -0.0177 506 CLA C CBD +52322 C CGD . CLA RC . ? 0.6826 0.6391 0.6553 0.0688 -0.0301 -0.0166 506 CLA C CGD +52323 O O1D . CLA RC . ? 0.8402 0.7965 0.8124 0.0705 -0.0329 -0.0160 506 CLA C O1D +52324 O O2D . CLA RC . ? 0.7219 0.6699 0.6884 0.0701 -0.0290 -0.0162 506 CLA C O2D +52325 C CED . CLA RC . ? 0.7489 0.6887 0.7089 0.0734 -0.0312 -0.0152 506 CLA C CED +52326 C C1 . CLA RC . ? 0.8413 0.8260 0.8361 0.0502 -0.0222 -0.0182 506 CLA C C1 +52327 C C2 . CLA RC . ? 0.8656 0.8505 0.8605 0.0452 -0.0195 -0.0176 506 CLA C C2 +52328 C C3 . CLA RC . ? 0.9066 0.8906 0.9008 0.0446 -0.0166 -0.0183 506 CLA C C3 +52329 C C4 . CLA RC . ? 0.9242 0.9073 0.9179 0.0489 -0.0160 -0.0196 506 CLA C C4 +52330 C C5 . CLA RC . ? 0.9582 0.9422 0.9521 0.0398 -0.0140 -0.0177 506 CLA C C5 +52331 C C6 . CLA RC . ? 0.9307 0.9120 0.9222 0.0362 -0.0152 -0.0158 506 CLA C C6 +52332 C C7 . CLA RC . ? 1.0037 0.9841 0.9942 0.0318 -0.0126 -0.0152 506 CLA C C7 +52333 C C8 . CLA RC . ? 0.9593 0.9390 0.9491 0.0282 -0.0137 -0.0137 506 CLA C C8 +52334 C C9 . CLA RC . ? 1.1633 1.1404 1.1506 0.0242 -0.0115 -0.0128 506 CLA C C9 +52335 C C10 . CLA RC . ? 1.2255 1.2136 1.2221 0.0277 -0.0142 -0.0147 506 CLA C C10 +52336 C C11 . CLA RC . ? 1.2259 1.2198 1.2271 0.0260 -0.0112 -0.0162 506 CLA C C11 +52337 C C12 . CLA RC . ? 1.1634 1.1651 1.1710 0.0245 -0.0116 -0.0171 506 CLA C C12 +52338 C C13 . CLA RC . ? 1.3831 1.3914 1.3961 0.0236 -0.0086 -0.0188 506 CLA C C13 +52339 C C14 . CLA RC . ? 1.2328 1.2491 1.2527 0.0263 -0.0096 -0.0208 506 CLA C C14 +52340 C C15 . CLA RC . ? 0.8906 0.9005 0.9047 0.0188 -0.0069 -0.0183 506 CLA C C15 +52341 C C16 . CLA RC . ? 1.0216 1.0338 1.0374 0.0171 -0.0031 -0.0193 506 CLA C C16 +52342 C C17 . CLA RC . ? 0.9898 1.0028 1.0060 0.0125 -0.0016 -0.0186 506 CLA C C17 +52343 C C18 . CLA RC . ? 1.0293 1.0447 1.0471 0.0107 0.0024 -0.0195 506 CLA C C18 +52344 C C19 . CLA RC . ? 1.2374 1.2610 1.2623 0.0124 0.0035 -0.0218 506 CLA C C19 +52345 C C20 . CLA RC . ? 0.8704 0.8858 0.8880 0.0061 0.0037 -0.0187 506 CLA C C20 +52346 MG MG . CLA SC . ? 0.8215 0.8478 0.8500 0.0923 -0.0011 -0.0426 507 CLA C MG +52347 C CHA . CLA SC . ? 0.8132 0.8573 0.8567 0.0951 -0.0087 -0.0439 507 CLA C CHA +52348 C CHB . CLA SC . ? 0.7524 0.7554 0.7626 0.0913 -0.0082 -0.0370 507 CLA C CHB +52349 C CHC . CLA SC . ? 0.7745 0.7848 0.7887 0.0866 0.0063 -0.0410 507 CLA C CHC +52350 C CHD . CLA SC . ? 0.7894 0.8426 0.8390 0.0907 0.0075 -0.0482 507 CLA C CHD +52351 N NA . CLA SC . ? 0.8467 0.8704 0.8735 0.0929 -0.0072 -0.0407 507 CLA C NA +52352 C C1A . CLA SC . ? 0.6683 0.6991 0.7011 0.0946 -0.0099 -0.0414 507 CLA C C1A +52353 C C2A . CLA SC . ? 0.7937 0.8191 0.8222 0.0956 -0.0143 -0.0397 507 CLA C C2A +52354 C C3A . CLA SC . ? 0.8864 0.8989 0.9045 0.0945 -0.0139 -0.0376 507 CLA C C3A +52355 C C4A . CLA SC . ? 0.8412 0.8542 0.8596 0.0928 -0.0095 -0.0385 507 CLA C C4A +52356 C CMA . CLA SC . ? 0.8262 0.8320 0.8391 0.1006 -0.0162 -0.0376 507 CLA C CMA +52357 C CAA . CLA SC . ? 0.7646 0.7935 0.7960 0.0904 -0.0152 -0.0386 507 CLA C CAA +52358 C CBA . CLA SC . ? 0.8296 0.8528 0.8563 0.0845 -0.0127 -0.0368 507 CLA C CBA +52359 C CGA . CLA SC . ? 0.9033 0.9300 0.9328 0.0791 -0.0130 -0.0358 507 CLA C CGA +52360 O O1A . CLA SC . ? 1.0053 1.0365 1.0385 0.0793 -0.0157 -0.0358 507 CLA C O1A +52361 O O2A . CLA SC . ? 0.9619 0.9863 0.9894 0.0736 -0.0100 -0.0347 507 CLA C O2A +52362 N NB . CLA SC . ? 0.7885 0.7980 0.8032 0.0893 -0.0011 -0.0395 507 CLA C NB +52363 C C1B . CLA SC . ? 0.6924 0.6935 0.7007 0.0894 -0.0042 -0.0375 507 CLA C C1B +52364 C C2B . CLA SC . ? 0.7768 0.7667 0.7759 0.0870 -0.0032 -0.0358 507 CLA C C2B +52365 C C3B . CLA SC . ? 0.8032 0.7956 0.8037 0.0857 0.0010 -0.0371 507 CLA C C3B +52366 C C4B . CLA SC . ? 0.6724 0.6769 0.6826 0.0872 0.0021 -0.0393 507 CLA C C4B +52367 C CMB . CLA SC . ? 0.7541 0.7331 0.7448 0.0862 -0.0058 -0.0334 507 CLA C CMB +52368 C CAB . CLA SC . ? 0.8402 0.8254 0.8344 0.0833 0.0038 -0.0365 507 CLA C CAB +52369 C CBB . CLA SC . ? 0.8639 0.8382 0.8495 0.0828 0.0027 -0.0349 507 CLA C CBB +52370 N NC . CLA SC . ? 0.7387 0.7694 0.7699 0.0892 0.0055 -0.0441 507 CLA C NC +52371 C C1C . CLA SC . ? 0.7728 0.7954 0.7969 0.0875 0.0079 -0.0433 507 CLA C C1C +52372 C C2C . CLA SC . ? 0.8077 0.8345 0.8345 0.0865 0.0125 -0.0448 507 CLA C C2C +52373 C C3C . CLA SC . ? 0.7365 0.7760 0.7738 0.0876 0.0130 -0.0469 507 CLA C C3C +52374 C C4C . CLA SC . ? 0.8748 0.9158 0.9141 0.0892 0.0084 -0.0463 507 CLA C C4C +52375 C CMC . CLA SC . ? 0.7256 0.7453 0.7458 0.0847 0.0159 -0.0444 507 CLA C CMC +52376 C CAC . CLA SC . ? 0.7890 0.8377 0.8333 0.0871 0.0173 -0.0491 507 CLA C CAC +52377 C CBC . CLA SC . ? 0.8946 0.9469 0.9417 0.0806 0.0188 -0.0482 507 CLA C CBC +52378 N ND . CLA SC . ? 0.7897 0.8340 0.8328 0.0925 -0.0005 -0.0454 507 CLA C ND +52379 C C1D . CLA SC . ? 0.9006 0.9555 0.9521 0.0920 0.0029 -0.0477 507 CLA C C1D +52380 C C2D . CLA SC . ? 0.9891 1.0559 1.0507 0.0929 0.0013 -0.0494 507 CLA C C2D +52381 C C3D . CLA SC . ? 0.8969 0.9589 0.9549 0.0942 -0.0036 -0.0478 507 CLA C C3D +52382 C C4D . CLA SC . ? 0.7162 0.7657 0.7639 0.0938 -0.0041 -0.0456 507 CLA C C4D +52383 C CMD . CLA SC . ? 0.8534 0.9335 0.9259 0.0925 0.0035 -0.0520 507 CLA C CMD +52384 C CAD . CLA SC . ? 0.9544 1.0196 1.0152 0.0957 -0.0082 -0.0477 507 CLA C CAD +52385 O OBD . CLA SC . ? 0.9976 1.0737 1.0675 0.0963 -0.0092 -0.0495 507 CLA C OBD +52386 C CBD . CLA SC . ? 0.7535 0.8073 0.8051 0.0964 -0.0114 -0.0452 507 CLA C CBD +52387 C CGD . CLA SC . ? 0.8251 0.8786 0.8764 0.1034 -0.0144 -0.0462 507 CLA C CGD +52388 O O1D . CLA SC . ? 0.8798 0.9309 0.9291 0.1055 -0.0184 -0.0454 507 CLA C O1D +52389 O O2D . CLA SC . ? 1.0102 1.0663 1.0636 0.1080 -0.0124 -0.0483 507 CLA C O2D +52390 C CED . CLA SC . ? 0.9228 0.9767 0.9743 0.1148 -0.0152 -0.0491 507 CLA C CED +52391 C C1 . CLA SC . ? 0.9836 1.0097 1.0124 0.0688 -0.0106 -0.0335 507 CLA C C1 +52392 C C2 . CLA SC . ? 0.9745 1.0060 1.0076 0.0645 -0.0068 -0.0342 507 CLA C C2 +52393 C C3 . CLA SC . ? 1.2689 1.3101 1.3100 0.0627 -0.0065 -0.0355 507 CLA C C3 +52394 C C4 . CLA SC . ? 1.3438 1.3907 1.3898 0.0651 -0.0102 -0.0362 507 CLA C C4 +52395 C C5 . CLA SC . ? 1.1647 1.2109 1.2097 0.0583 -0.0025 -0.0361 507 CLA C C5 +52396 C C6 . CLA SC . ? 1.5034 1.5545 1.5526 0.0539 -0.0032 -0.0358 507 CLA C C6 +52397 C C7 . CLA SC . ? 1.4701 1.5131 1.5125 0.0506 -0.0047 -0.0331 507 CLA C C7 +52398 C C8 . CLA SC . ? 1.5673 1.6080 1.6076 0.0455 -0.0013 -0.0322 507 CLA C C8 +52399 C C9 . CLA SC . ? 1.5819 1.6275 1.6263 0.0411 -0.0014 -0.0319 507 CLA C C9 +52400 C C10 . CLA SC . ? 1.4445 1.4741 1.4754 0.0446 -0.0015 -0.0299 507 CLA C C10 +52401 C C11 . CLA SC . ? 1.7125 1.7395 1.7407 0.0404 0.0021 -0.0292 507 CLA C C11 +52402 C C12 . CLA SC . ? 1.8199 1.8361 1.8390 0.0399 0.0018 -0.0273 507 CLA C C12 +52403 C C13 . CLA SC . ? 1.5985 1.6115 1.6144 0.0357 0.0048 -0.0264 507 CLA C C13 +52404 C C14 . CLA SC . ? 1.3403 1.3435 1.3480 0.0342 0.0035 -0.0242 507 CLA C C14 +52405 C C15 . CLA SC . ? 1.3000 1.3142 1.3163 0.0369 0.0083 -0.0279 507 CLA C C15 +52406 C C16 . CLA SC . ? 1.1148 1.1217 1.1243 0.0346 0.0106 -0.0268 507 CLA C C16 +52407 C C17 . CLA SC . ? 1.2211 1.2303 1.2318 0.0355 0.0143 -0.0284 507 CLA C C17 +52408 C C18 . CLA SC . ? 1.3952 1.4148 1.4145 0.0348 0.0162 -0.0301 507 CLA C C18 +52409 C C19 . CLA SC . ? 1.2760 1.2971 1.2960 0.0298 0.0189 -0.0296 507 CLA C C19 +52410 C C20 . CLA SC . ? 1.2824 1.3064 1.3051 0.0383 0.0185 -0.0323 507 CLA C C20 +52411 MG MG . CLA TC . ? 0.7444 0.6985 0.7162 0.0869 -0.0116 -0.0289 508 CLA C MG +52412 C CHA . CLA TC . ? 0.7600 0.7001 0.7202 0.0898 -0.0062 -0.0306 508 CLA C CHA +52413 C CHB . CLA TC . ? 0.6763 0.6345 0.6503 0.0739 -0.0061 -0.0276 508 CLA C CHB +52414 C CHC . CLA TC . ? 0.7714 0.7449 0.7586 0.0856 -0.0159 -0.0291 508 CLA C CHC +52415 C CHD . CLA TC . ? 0.6343 0.5845 0.6037 0.1024 -0.0172 -0.0309 508 CLA C CHD +52416 N NA . CLA TC . ? 0.7418 0.6924 0.7102 0.0825 -0.0069 -0.0291 508 CLA C NA +52417 C C1A . CLA TC . ? 0.8354 0.7798 0.7987 0.0839 -0.0053 -0.0296 508 CLA C C1A +52418 C C2A . CLA TC . ? 0.7053 0.6473 0.6660 0.0796 -0.0023 -0.0293 508 CLA C C2A +52419 C C3A . CLA TC . ? 0.7995 0.7470 0.7644 0.0747 -0.0025 -0.0283 508 CLA C C3A +52420 C C4A . CLA TC . ? 0.9350 0.8875 0.9044 0.0772 -0.0053 -0.0283 508 CLA C C4A +52421 C CMA . CLA TC . ? 0.7836 0.7395 0.7544 0.0723 0.0007 -0.0295 508 CLA C CMA +52422 C CAA . CLA TC . ? 0.7554 0.6855 0.7068 0.0785 -0.0026 -0.0281 508 CLA C CAA +52423 C CBA . CLA TC . ? 0.8952 0.8234 0.8442 0.0742 0.0002 -0.0280 508 CLA C CBA +52424 C CGA . CLA TC . ? 0.8822 0.8164 0.8350 0.0750 0.0036 -0.0299 508 CLA C CGA +52425 O O1A . CLA TC . ? 0.9011 0.8364 0.8547 0.0794 0.0044 -0.0316 508 CLA C O1A +52426 O O2A . CLA TC . ? 0.8575 0.7960 0.8128 0.0705 0.0061 -0.0299 508 CLA C O2A +52427 N NB . CLA TC . ? 0.7569 0.7211 0.7363 0.0805 -0.0109 -0.0283 508 CLA C NB +52428 C C1B . CLA TC . ? 0.7929 0.7571 0.7720 0.0754 -0.0087 -0.0276 508 CLA C C1B +52429 C C2B . CLA TC . ? 0.6642 0.6359 0.6492 0.0717 -0.0089 -0.0273 508 CLA C C2B +52430 C C3B . CLA TC . ? 0.7440 0.7202 0.7329 0.0753 -0.0118 -0.0278 508 CLA C C3B +52431 C C4B . CLA TC . ? 0.7165 0.6877 0.7016 0.0806 -0.0129 -0.0284 508 CLA C C4B +52432 C CMB . CLA TC . ? 0.6873 0.6610 0.6735 0.0660 -0.0069 -0.0265 508 CLA C CMB +52433 C CAB . CLA TC . ? 0.7291 0.7132 0.7243 0.0741 -0.0135 -0.0279 508 CLA C CAB +52434 C CBB . CLA TC . ? 0.7509 0.7451 0.7540 0.0735 -0.0119 -0.0296 508 CLA C CBB +52435 N NC . CLA TC . ? 0.7635 0.7241 0.7407 0.0927 -0.0156 -0.0297 508 CLA C NC +52436 C C1C . CLA TC . ? 0.7595 0.7281 0.7430 0.0913 -0.0170 -0.0298 508 CLA C C1C +52437 C C2C . CLA TC . ? 0.8336 0.8058 0.8200 0.0963 -0.0201 -0.0306 508 CLA C C2C +52438 C C3C . CLA TC . ? 0.8328 0.7980 0.8139 0.1013 -0.0205 -0.0310 508 CLA C C3C +52439 C C4C . CLA TC . ? 0.7721 0.7305 0.7478 0.0985 -0.0176 -0.0305 508 CLA C C4C +52440 C CMC . CLA TC . ? 0.7486 0.7295 0.7418 0.0961 -0.0224 -0.0309 508 CLA C CMC +52441 C CAC . CLA TC . ? 0.8693 0.8339 0.8499 0.1079 -0.0232 -0.0319 508 CLA C CAC +52442 C CBC . CLA TC . ? 0.7842 0.7578 0.7718 0.1114 -0.0214 -0.0347 508 CLA C CBC +52443 N ND . CLA TC . ? 0.7364 0.6840 0.7032 0.0943 -0.0118 -0.0304 508 CLA C ND +52444 C C1D . CLA TC . ? 0.8153 0.7611 0.7811 0.1003 -0.0140 -0.0311 508 CLA C C1D +52445 C C2D . CLA TC . ? 0.8174 0.7567 0.7781 0.1041 -0.0128 -0.0321 508 CLA C C2D +52446 C C3D . CLA TC . ? 0.8610 0.7982 0.8196 0.0996 -0.0096 -0.0319 508 CLA C C3D +52447 C C4D . CLA TC . ? 0.8711 0.8133 0.8335 0.0943 -0.0092 -0.0309 508 CLA C C4D +52448 C CMD . CLA TC . ? 0.7843 0.7192 0.7418 0.1106 -0.0142 -0.0330 508 CLA C CMD +52449 C CAD . CLA TC . ? 0.8506 0.7823 0.8045 0.0986 -0.0067 -0.0324 508 CLA C CAD +52450 O OBD . CLA TC . ? 0.8744 0.8004 0.8240 0.1025 -0.0062 -0.0333 508 CLA C OBD +52451 C CBD . CLA TC . ? 0.7940 0.7275 0.7488 0.0925 -0.0046 -0.0316 508 CLA C CBD +52452 C CGD . CLA TC . ? 0.7385 0.6771 0.6966 0.0923 -0.0009 -0.0334 508 CLA C CGD +52453 O O1D . CLA TC . ? 0.9219 0.8545 0.8749 0.0925 0.0009 -0.0339 508 CLA C O1D +52454 O O2D . CLA TC . ? 0.8193 0.7700 0.7866 0.0920 0.0007 -0.0348 508 CLA C O2D +52455 C CED . CLA TC . ? 0.7517 0.7065 0.7214 0.0927 0.0043 -0.0367 508 CLA C CED +52456 C C1 . CLA TC . ? 0.6675 0.6105 0.6253 0.0711 0.0096 -0.0317 508 CLA C C1 +52457 C C2 . CLA TC . ? 0.8102 0.7640 0.7769 0.0734 0.0100 -0.0331 508 CLA C C2 +52458 C C3 . CLA TC . ? 0.8827 0.8449 0.8555 0.0708 0.0122 -0.0337 508 CLA C C3 +52459 C C4 . CLA TC . ? 1.1023 1.0632 1.0730 0.0656 0.0144 -0.0328 508 CLA C C4 +52460 C C5 . CLA TC . ? 0.8835 0.8566 0.8653 0.0730 0.0124 -0.0352 508 CLA C C5 +52461 C C6 . CLA TC . ? 0.9680 0.9493 0.9557 0.0694 0.0154 -0.0358 508 CLA C C6 +52462 C C7 . CLA TC . ? 0.9194 0.9117 0.9163 0.0720 0.0159 -0.0377 508 CLA C C7 +52463 C C8 . CLA TC . ? 0.9943 0.9939 0.9974 0.0682 0.0153 -0.0372 508 CLA C C8 +52464 C C9 . CLA TC . ? 0.9091 0.9097 0.9120 0.0632 0.0187 -0.0368 508 CLA C C9 +52465 C C10 . CLA TC . ? 1.0251 1.0353 1.0373 0.0711 0.0151 -0.0391 508 CLA C C10 +52466 C C11 . CLA TC . ? 0.7708 0.7886 0.7895 0.0676 0.0142 -0.0388 508 CLA C C11 +52467 C C12 . CLA TC . ? 0.9378 0.9661 0.9656 0.0709 0.0137 -0.0409 508 CLA C C12 +52468 C C13 . CLA TC . ? 0.9664 1.0002 0.9993 0.0690 0.0109 -0.0404 508 CLA C C13 +52469 C C14 . CLA TC . ? 1.1032 1.1430 1.1407 0.0637 0.0136 -0.0404 508 CLA C C14 +52470 C C15 . CLA TC . ? 0.9535 0.9952 0.9933 0.0736 0.0089 -0.0423 508 CLA C C15 +52471 C C16 . CLA TC . ? 1.0248 1.0689 1.0672 0.0729 0.0049 -0.0414 508 CLA C C16 +52472 C C17 . CLA TC . ? 0.9418 0.9973 0.9940 0.0756 0.0038 -0.0437 508 CLA C C17 +52473 C C18 . CLA TC . ? 1.1463 1.2047 1.2012 0.0739 0.0003 -0.0429 508 CLA C C18 +52474 C C19 . CLA TC . ? 1.1192 1.1900 1.1845 0.0756 -0.0005 -0.0453 508 CLA C C19 +52475 C C20 . CLA TC . ? 0.9470 0.9967 0.9950 0.0767 -0.0038 -0.0412 508 CLA C C20 +52476 MG MG . CLA UC . ? 0.7903 0.6456 0.6889 0.0571 -0.0220 -0.0075 509 CLA C MG +52477 C CHA . CLA UC . ? 0.8259 0.6642 0.7125 0.0589 -0.0262 -0.0038 509 CLA C CHA +52478 C CHB . CLA UC . ? 0.7242 0.5706 0.6166 0.0684 -0.0219 -0.0105 509 CLA C CHB +52479 C CHC . CLA UC . ? 0.8329 0.6993 0.7388 0.0537 -0.0169 -0.0107 509 CLA C CHC +52480 C CHD . CLA UC . ? 0.7312 0.5906 0.6326 0.0446 -0.0217 -0.0041 509 CLA C CHD +52481 N NA . CLA UC . ? 0.8022 0.6463 0.6930 0.0626 -0.0238 -0.0072 509 CLA C NA +52482 C C1A . CLA UC . ? 0.7217 0.5604 0.6086 0.0631 -0.0255 -0.0057 509 CLA C C1A +52483 C C2A . CLA UC . ? 0.8118 0.6434 0.6937 0.0680 -0.0266 -0.0059 509 CLA C C2A +52484 C C3A . CLA UC . ? 0.8425 0.6772 0.7266 0.0712 -0.0253 -0.0081 509 CLA C C3A +52485 C C4A . CLA UC . ? 0.7690 0.6113 0.6585 0.0671 -0.0236 -0.0087 509 CLA C C4A +52486 C CMA . CLA UC . ? 0.7061 0.5471 0.5945 0.0764 -0.0265 -0.0091 509 CLA C CMA +52487 C CAA . CLA UC . ? 0.8826 0.7025 0.7564 0.0661 -0.0264 -0.0049 509 CLA C CAA +52488 C CBA . CLA UC . ? 0.8420 0.6610 0.7154 0.0627 -0.0243 -0.0058 509 CLA C CBA +52489 C CGA . CLA UC . ? 0.9377 0.7458 0.8037 0.0604 -0.0239 -0.0051 509 CLA C CGA +52490 O O1A . CLA UC . ? 0.8813 0.6809 0.7414 0.0630 -0.0246 -0.0049 509 CLA C O1A +52491 O O2A . CLA UC . ? 0.8474 0.6548 0.7131 0.0548 -0.0228 -0.0047 509 CLA C O2A +52492 N NB . CLA UC . ? 0.7628 0.6192 0.6621 0.0604 -0.0197 -0.0102 509 CLA C NB +52493 C C1B . CLA UC . ? 0.7387 0.5919 0.6358 0.0651 -0.0199 -0.0113 509 CLA C C1B +52494 C C2B . CLA UC . ? 0.8174 0.6740 0.7167 0.0668 -0.0179 -0.0133 509 CLA C C2B +52495 C C3B . CLA UC . ? 0.7278 0.5904 0.6310 0.0622 -0.0164 -0.0133 509 CLA C C3B +52496 C C4B . CLA UC . ? 0.7267 0.5885 0.6295 0.0586 -0.0178 -0.0113 509 CLA C C4B +52497 C CMB . CLA UC . ? 0.7137 0.5684 0.6115 0.0720 -0.0176 -0.0150 509 CLA C CMB +52498 C CAB . CLA UC . ? 0.7051 0.5730 0.6116 0.0609 -0.0140 -0.0147 509 CLA C CAB +52499 C CBB . CLA UC . ? 0.7467 0.6173 0.6550 0.0643 -0.0126 -0.0166 509 CLA C CBB +52500 N NC . CLA UC . ? 0.8325 0.6939 0.7352 0.0505 -0.0199 -0.0074 509 CLA C NC +52501 C C1C . CLA UC . ? 0.7196 0.5853 0.6251 0.0500 -0.0180 -0.0088 509 CLA C C1C +52502 C C2C . CLA UC . ? 0.7249 0.5945 0.6329 0.0453 -0.0169 -0.0084 509 CLA C C2C +52503 C C3C . CLA UC . ? 0.7523 0.6200 0.6591 0.0427 -0.0184 -0.0065 509 CLA C C3C +52504 C C4C . CLA UC . ? 0.6777 0.5403 0.5813 0.0462 -0.0201 -0.0060 509 CLA C C4C +52505 C CMC . CLA UC . ? 0.6795 0.5538 0.5903 0.0437 -0.0148 -0.0096 509 CLA C CMC +52506 C CAC . CLA UC . ? 0.6837 0.5538 0.5921 0.0379 -0.0183 -0.0053 509 CLA C CAC +52507 C CBC . CLA UC . ? 0.7971 0.6594 0.7000 0.0348 -0.0182 -0.0045 509 CLA C CBC +52508 N ND . CLA UC . ? 0.7079 0.5585 0.6032 0.0525 -0.0234 -0.0047 509 CLA C ND +52509 C C1D . CLA UC . ? 0.8127 0.6659 0.7098 0.0477 -0.0233 -0.0035 509 CLA C C1D +52510 C C2D . CLA UC . ? 0.7354 0.5845 0.6296 0.0465 -0.0248 -0.0016 509 CLA C C2D +52511 C C3D . CLA UC . ? 0.7403 0.5832 0.6301 0.0510 -0.0259 -0.0017 509 CLA C C3D +52512 C C4D . CLA UC . ? 0.7102 0.5545 0.6011 0.0542 -0.0251 -0.0035 509 CLA C C4D +52513 C CMD . CLA UC . ? 0.7494 0.5993 0.6441 0.0422 -0.0251 0.0000 509 CLA C CMD +52514 C CAD . CLA UC . ? 0.7427 0.5783 0.6272 0.0535 -0.0275 -0.0006 509 CLA C CAD +52515 O OBD . CLA UC . ? 0.8077 0.6401 0.6897 0.0517 -0.0285 0.0012 509 CLA C OBD +52516 C CBD . CLA UC . ? 0.8627 0.6954 0.7451 0.0587 -0.0279 -0.0019 509 CLA C CBD +52517 C CGD . CLA UC . ? 0.8322 0.6700 0.7179 0.0629 -0.0296 -0.0020 509 CLA C CGD +52518 O O1D . CLA UC . ? 0.7888 0.6342 0.6796 0.0618 -0.0301 -0.0018 509 CLA C O1D +52519 O O2D . CLA UC . ? 0.8658 0.6994 0.7483 0.0684 -0.0308 -0.0026 509 CLA C O2D +52520 C CED . CLA UC . ? 0.7974 0.6376 0.6842 0.0727 -0.0323 -0.0034 509 CLA C CED +52521 C C1 . CLA UC . ? 0.7969 0.5943 0.6559 0.0528 -0.0225 -0.0044 509 CLA C C1 +52522 C C2 . CLA UC . ? 0.8249 0.6237 0.6848 0.0485 -0.0210 -0.0050 509 CLA C C2 +52523 C C3 . CLA UC . ? 0.9550 0.7506 0.8131 0.0437 -0.0210 -0.0039 509 CLA C C3 +52524 C C4 . CLA UC . ? 0.8063 0.5972 0.6615 0.0423 -0.0222 -0.0019 509 CLA C C4 +52525 C C5 . CLA UC . ? 1.0493 0.8460 0.9080 0.0396 -0.0198 -0.0046 509 CLA C C5 +52526 C C6 . CLA UC . ? 1.0995 0.9054 0.9643 0.0363 -0.0194 -0.0042 509 CLA C C6 +52527 C C7 . CLA UC . ? 1.0435 0.8481 0.9073 0.0321 -0.0185 -0.0047 509 CLA C C7 +52528 C C8 . CLA UC . ? 1.2129 1.0269 1.0827 0.0303 -0.0177 -0.0051 509 CLA C C8 +52529 C C9 . CLA UC . ? 1.1591 0.9788 1.0331 0.0280 -0.0183 -0.0036 509 CLA C C9 +52530 C C10 . CLA UC . ? 1.2180 1.0302 1.0861 0.0270 -0.0169 -0.0059 509 CLA C C10 +52531 C C11 . CLA UC . ? 1.0570 0.8778 0.9303 0.0260 -0.0158 -0.0066 509 CLA C C11 +52532 C C12 . CLA UC . ? 1.2888 1.1077 1.1602 0.0223 -0.0153 -0.0072 509 CLA C C12 +52533 C C13 . CLA UC . ? 1.2985 1.1168 1.1685 0.0242 -0.0140 -0.0090 509 CLA C C13 +52534 C C14 . CLA UC . ? 1.2776 1.1043 1.1529 0.0268 -0.0130 -0.0097 509 CLA C C14 +52535 C C15 . CLA UC . ? 1.5316 1.3485 1.3999 0.0206 -0.0137 -0.0096 509 CLA C C15 +52536 C C16 . CLA UC . ? 1.8204 1.6304 1.6847 0.0173 -0.0148 -0.0089 509 CLA C C16 +52537 C C17 . CLA UC . ? 1.8759 1.6766 1.7341 0.0191 -0.0150 -0.0097 509 CLA C C17 +52538 C C18 . CLA UC . ? 1.9866 1.7806 1.8407 0.0153 -0.0158 -0.0093 509 CLA C C18 +52539 C C19 . CLA UC . ? 1.6764 1.4608 1.5242 0.0170 -0.0159 -0.0103 509 CLA C C19 +52540 C C20 . CLA UC . ? 1.9503 1.7466 1.8051 0.0117 -0.0156 -0.0099 509 CLA C C20 +52541 MG MG . CLA VC . ? 0.8192 0.6774 0.7194 0.0846 -0.0159 -0.0197 510 CLA C MG +52542 C CHA . CLA VC . ? 0.7041 0.5867 0.6212 0.0816 -0.0108 -0.0227 510 CLA C CHA +52543 C CHB . CLA VC . ? 0.7989 0.6441 0.6887 0.0767 -0.0121 -0.0198 510 CLA C CHB +52544 C CHC . CLA VC . ? 0.8012 0.6365 0.6855 0.0846 -0.0205 -0.0158 510 CLA C CHC +52545 C CHD . CLA VC . ? 0.8667 0.7415 0.7795 0.0918 -0.0207 -0.0197 510 CLA C CHD +52546 N NA . CLA VC . ? 0.7847 0.6477 0.6876 0.0800 -0.0122 -0.0209 510 CLA C NA +52547 C C1A . CLA VC . ? 0.7475 0.6195 0.6566 0.0795 -0.0104 -0.0221 510 CLA C C1A +52548 C C2A . CLA VC . ? 0.7810 0.6527 0.6890 0.0764 -0.0077 -0.0228 510 CLA C C2A +52549 C C3A . CLA VC . ? 0.7915 0.6514 0.6909 0.0750 -0.0084 -0.0219 510 CLA C C3A +52550 C C4A . CLA VC . ? 0.7779 0.6338 0.6752 0.0774 -0.0111 -0.0208 510 CLA C C4A +52551 C CMA . CLA VC . ? 0.7177 0.5764 0.6160 0.0690 -0.0083 -0.0205 510 CLA C CMA +52552 C CAA . CLA VC . ? 0.7231 0.5982 0.6331 0.0799 -0.0055 -0.0251 510 CLA C CAA +52553 C CBA . CLA VC . ? 0.7901 0.6631 0.6975 0.0772 -0.0029 -0.0258 510 CLA C CBA +52554 C CGA . CLA VC . ? 0.8435 0.7248 0.7563 0.0731 -0.0012 -0.0257 510 CLA C CGA +52555 O O1A . CLA VC . ? 0.9608 0.8491 0.8793 0.0719 -0.0020 -0.0250 510 CLA C O1A +52556 O O2A . CLA VC . ? 0.9108 0.7914 0.8219 0.0705 0.0013 -0.0264 510 CLA C O2A +52557 N NB . CLA VC . ? 0.8017 0.6446 0.6909 0.0809 -0.0163 -0.0180 510 CLA C NB +52558 C C1B . CLA VC . ? 0.8110 0.6495 0.6966 0.0785 -0.0146 -0.0185 510 CLA C C1B +52559 C C2B . CLA VC . ? 0.7748 0.6011 0.6519 0.0777 -0.0153 -0.0177 510 CLA C C2B +52560 C C3B . CLA VC . ? 0.7817 0.6051 0.6573 0.0800 -0.0176 -0.0164 510 CLA C C3B +52561 C C4B . CLA VC . ? 0.7421 0.5766 0.6256 0.0819 -0.0181 -0.0168 510 CLA C C4B +52562 C CMB . CLA VC . ? 0.8209 0.6400 0.6925 0.0751 -0.0139 -0.0181 510 CLA C CMB +52563 C CAB . CLA VC . ? 0.8623 0.6746 0.7303 0.0806 -0.0193 -0.0151 510 CLA C CAB +52564 C CBB . CLA VC . ? 0.9284 0.7318 0.7902 0.0775 -0.0188 -0.0146 510 CLA C CBB +52565 N NC . CLA VC . ? 0.8341 0.6897 0.7328 0.0877 -0.0198 -0.0180 510 CLA C NC +52566 C C1C . CLA VC . ? 0.7472 0.5928 0.6389 0.0873 -0.0213 -0.0164 510 CLA C C1C +52567 C C2C . CLA VC . ? 0.9119 0.7570 0.8033 0.0899 -0.0240 -0.0153 510 CLA C C2C +52568 C C3C . CLA VC . ? 0.7332 0.5902 0.6331 0.0921 -0.0242 -0.0165 510 CLA C C3C +52569 C C4C . CLA VC . ? 0.7971 0.6597 0.7010 0.0904 -0.0214 -0.0181 510 CLA C C4C +52570 C CMC . CLA VC . ? 0.8277 0.6626 0.7118 0.0902 -0.0260 -0.0135 510 CLA C CMC +52571 C CAC . CLA VC . ? 0.8313 0.6934 0.7348 0.0953 -0.0266 -0.0163 510 CLA C CAC +52572 C CBC . CLA VC . ? 0.8190 0.6841 0.7246 0.0909 -0.0276 -0.0146 510 CLA C CBC +52573 N ND . CLA VC . ? 0.8045 0.6790 0.7166 0.0863 -0.0160 -0.0208 510 CLA C ND +52574 C C1D . CLA VC . ? 0.7833 0.6641 0.7003 0.0893 -0.0179 -0.0209 510 CLA C C1D +52575 C C2D . CLA VC . ? 0.7921 0.6852 0.7181 0.0894 -0.0168 -0.0223 510 CLA C C2D +52576 C C3D . CLA VC . ? 0.7447 0.6384 0.6707 0.0861 -0.0137 -0.0230 510 CLA C C3D +52577 C C4D . CLA VC . ? 0.7451 0.6280 0.6630 0.0847 -0.0136 -0.0221 510 CLA C C4D +52578 C CMD . CLA VC . ? 0.7828 0.6858 0.7163 0.0920 -0.0181 -0.0231 510 CLA C CMD +52579 C CAD . CLA VC . ? 0.7898 0.6907 0.7206 0.0839 -0.0108 -0.0243 510 CLA C CAD +52580 O OBD . CLA VC . ? 0.7833 0.6947 0.7219 0.0842 -0.0099 -0.0254 510 CLA C OBD +52581 C CBD . CLA VC . ? 0.8421 0.7359 0.7672 0.0811 -0.0089 -0.0240 510 CLA C CBD +52582 C CGD . CLA VC . ? 0.8721 0.7689 0.7991 0.0752 -0.0081 -0.0230 510 CLA C CGD +52583 O O1D . CLA VC . ? 0.8469 0.7499 0.7779 0.0734 -0.0058 -0.0239 510 CLA C O1D +52584 O O2D . CLA VC . ? 0.9261 0.8183 0.8499 0.0716 -0.0099 -0.0208 510 CLA C O2D +52585 C CED . CLA VC . ? 0.9283 0.8258 0.8559 0.0670 -0.0096 -0.0198 510 CLA C CED +52586 C C1 . CLA VC . ? 0.9603 0.8493 0.8770 0.0676 0.0031 -0.0265 510 CLA C C1 +52587 C C2 . CLA VC . ? 0.9469 0.8456 0.8709 0.0707 0.0045 -0.0280 510 CLA C C2 +52588 C C3 . CLA VC . ? 0.9244 0.8244 0.8486 0.0733 0.0070 -0.0299 510 CLA C C3 +52589 C C4 . CLA VC . ? 0.9252 0.8167 0.8420 0.0732 0.0082 -0.0305 510 CLA C C4 +52590 C C5 . CLA VC . ? 0.9509 0.8608 0.8826 0.0764 0.0085 -0.0316 510 CLA C C5 +52591 C C6 . CLA VC . ? 1.1759 1.0844 1.1073 0.0823 0.0075 -0.0328 510 CLA C C6 +52592 C C7 . CLA VC . ? 0.9763 0.8885 0.9118 0.0839 0.0046 -0.0320 510 CLA C C7 +52593 C C8 . CLA VC . ? 1.1950 1.1040 1.1287 0.0898 0.0030 -0.0329 510 CLA C C8 +52594 C C9 . CLA VC . ? 0.9939 0.9058 0.9293 0.0940 0.0055 -0.0353 510 CLA C C9 +52595 C C10 . CLA VC . ? 1.1122 1.0087 1.0367 0.0899 0.0011 -0.0316 510 CLA C C10 +52596 C C11 . CLA VC . ? 1.1141 1.0078 1.0375 0.0949 -0.0015 -0.0317 510 CLA C C11 +52597 C C12 . CLA VC . ? 0.8578 0.7563 0.7856 0.0943 -0.0042 -0.0304 510 CLA C C12 +52598 C C13 . CLA VC . ? 1.0652 0.9569 0.9886 0.0984 -0.0071 -0.0298 510 CLA C C13 +52599 C C14 . CLA VC . ? 1.0130 0.8926 0.9275 0.0960 -0.0083 -0.0280 510 CLA C C14 +52600 C C15 . CLA VC . ? 1.0879 0.9857 1.0165 0.0999 -0.0097 -0.0292 510 CLA C C15 +52601 C C16 . CLA VC . ? 1.0934 0.9850 1.0178 0.1054 -0.0120 -0.0293 510 CLA C C16 +52602 C C17 . CLA VC . ? 1.1181 1.0159 1.0475 0.1087 -0.0146 -0.0293 510 CLA C C17 +52603 C C18 . CLA VC . ? 1.0967 0.9865 1.0204 0.1142 -0.0167 -0.0293 510 CLA C C18 +52604 C C19 . CLA VC . ? 1.1412 1.0181 1.0553 0.1118 -0.0178 -0.0273 510 CLA C C19 +52605 C C20 . CLA VC . ? 1.2523 1.1475 1.1802 0.1180 -0.0196 -0.0294 510 CLA C C20 +52606 MG MG . CLA WC . ? 0.8461 0.6790 0.7246 0.0556 -0.0080 -0.0183 511 CLA C MG +52607 C CHA . CLA WC . ? 0.8153 0.6328 0.6852 0.0543 -0.0128 -0.0146 511 CLA C CHA +52608 C CHB . CLA WC . ? 0.8008 0.6534 0.6946 0.0569 -0.0095 -0.0168 511 CLA C CHB +52609 C CHC . CLA WC . ? 0.7771 0.6242 0.6631 0.0541 -0.0027 -0.0211 511 CLA C CHC +52610 C CHD . CLA WC . ? 0.8291 0.6405 0.6910 0.0514 -0.0072 -0.0197 511 CLA C CHD +52611 N NA . CLA WC . ? 0.8850 0.7199 0.7664 0.0556 -0.0107 -0.0160 511 CLA C NA +52612 C C1A . CLA WC . ? 0.7968 0.6251 0.6743 0.0556 -0.0125 -0.0148 511 CLA C C1A +52613 C C2A . CLA WC . ? 0.7807 0.6124 0.6613 0.0567 -0.0141 -0.0135 511 CLA C C2A +52614 C C3A . CLA WC . ? 0.8273 0.6703 0.7155 0.0572 -0.0132 -0.0143 511 CLA C C3A +52615 C C4A . CLA WC . ? 0.7530 0.5965 0.6408 0.0566 -0.0110 -0.0158 511 CLA C C4A +52616 C CMA . CLA WC . ? 0.7128 0.5607 0.6046 0.0527 -0.0136 -0.0128 511 CLA C CMA +52617 C CAA . CLA WC . ? 0.9039 0.7312 0.7817 0.0620 -0.0152 -0.0140 511 CLA C CAA +52618 C CBA . CLA WC . ? 0.7674 0.5990 0.6487 0.0644 -0.0168 -0.0131 511 CLA C CBA +52619 C CGA . CLA WC . ? 0.8656 0.6926 0.7440 0.0617 -0.0185 -0.0110 511 CLA C CGA +52620 O O1A . CLA WC . ? 0.8984 0.7179 0.7719 0.0635 -0.0198 -0.0103 511 CLA C O1A +52621 O O2A . CLA WC . ? 0.8803 0.7117 0.7619 0.0569 -0.0186 -0.0097 511 CLA C O2A +52622 N NB . CLA WC . ? 0.7992 0.6471 0.6879 0.0553 -0.0064 -0.0188 511 CLA C NB +52623 C C1B . CLA WC . ? 0.7308 0.5856 0.6252 0.0563 -0.0071 -0.0182 511 CLA C C1B +52624 C C2B . CLA WC . ? 0.8204 0.6852 0.7215 0.0567 -0.0054 -0.0193 511 CLA C C2B +52625 C C3B . CLA WC . ? 0.7317 0.5945 0.6301 0.0558 -0.0032 -0.0205 511 CLA C C3B +52626 C C4B . CLA WC . ? 0.7596 0.6119 0.6504 0.0551 -0.0041 -0.0201 511 CLA C C4B +52627 C CMB . CLA WC . ? 0.7764 0.6507 0.6848 0.0577 -0.0057 -0.0191 511 CLA C CMB +52628 C CAB . CLA WC . ? 0.7642 0.6332 0.6659 0.0556 -0.0005 -0.0218 511 CLA C CAB +52629 C CBB . CLA WC . ? 0.7620 0.6403 0.6705 0.0551 0.0003 -0.0219 511 CLA C CBB +52630 N NC . CLA WC . ? 0.7891 0.6190 0.6638 0.0534 -0.0056 -0.0199 511 CLA C NC +52631 C C1C . CLA WC . ? 0.7734 0.6101 0.6519 0.0532 -0.0036 -0.0210 511 CLA C C1C +52632 C C2C . CLA WC . ? 0.8174 0.6500 0.6915 0.0518 -0.0021 -0.0221 511 CLA C C2C +52633 C C3C . CLA WC . ? 0.8658 0.6881 0.7330 0.0510 -0.0036 -0.0218 511 CLA C C3C +52634 C C4C . CLA WC . ? 0.7947 0.6162 0.6629 0.0520 -0.0056 -0.0204 511 CLA C C4C +52635 C CMC . CLA WC . ? 0.7483 0.5860 0.6244 0.0513 0.0004 -0.0234 511 CLA C CMC +52636 C CAC . CLA WC . ? 0.9072 0.7216 0.7678 0.0495 -0.0032 -0.0227 511 CLA C CAC +52637 C CBC . CLA WC . ? 0.9355 0.7502 0.7960 0.0441 -0.0038 -0.0216 511 CLA C CBC +52638 N ND . CLA WC . ? 0.8333 0.6519 0.7021 0.0532 -0.0095 -0.0174 511 CLA C ND +52639 C C1D . CLA WC . ? 0.8110 0.6211 0.6733 0.0518 -0.0091 -0.0181 511 CLA C C1D +52640 C C2D . CLA WC . ? 0.8770 0.6775 0.7335 0.0508 -0.0107 -0.0171 511 CLA C C2D +52641 C C3D . CLA WC . ? 0.7284 0.5322 0.5882 0.0519 -0.0121 -0.0156 511 CLA C C3D +52642 C C4D . CLA WC . ? 0.7364 0.5503 0.6030 0.0532 -0.0114 -0.0160 511 CLA C C4D +52643 C CMD . CLA WC . ? 0.9076 0.6975 0.7567 0.0491 -0.0111 -0.0173 511 CLA C CMD +52644 C CAD . CLA WC . ? 0.7683 0.5684 0.6265 0.0521 -0.0139 -0.0140 511 CLA C CAD +52645 O OBD . CLA WC . ? 0.8306 0.6215 0.6829 0.0508 -0.0148 -0.0133 511 CLA C OBD +52646 C CBD . CLA WC . ? 0.9372 0.7458 0.8016 0.0537 -0.0145 -0.0133 511 CLA C CBD +52647 C CGD . CLA WC . ? 0.8335 0.6438 0.6996 0.0495 -0.0155 -0.0114 511 CLA C CGD +52648 O O1D . CLA WC . ? 0.9030 0.7129 0.7693 0.0505 -0.0169 -0.0101 511 CLA C O1D +52649 O O2D . CLA WC . ? 1.0206 0.8332 0.8880 0.0445 -0.0149 -0.0110 511 CLA C O2D +52650 C CED . CLA WC . ? 1.0256 0.8414 0.8956 0.0412 -0.0158 -0.0093 511 CLA C CED +52651 C C1 . CLA WC . ? 0.9193 0.7443 0.7966 0.0532 -0.0193 -0.0081 511 CLA C C1 +52652 C C2 . CLA WC . ? 0.9420 0.7718 0.8225 0.0482 -0.0184 -0.0077 511 CLA C C2 +52653 C C3 . CLA WC . ? 0.8029 0.6377 0.6870 0.0458 -0.0191 -0.0065 511 CLA C C3 +52654 C C4 . CLA WC . ? 1.0091 0.8444 0.8938 0.0482 -0.0208 -0.0054 511 CLA C C4 +52655 C C5 . CLA WC . ? 1.0076 0.8471 0.8948 0.0410 -0.0182 -0.0061 511 CLA C C5 +52656 C C6 . CLA WC . ? 0.8672 0.7097 0.7559 0.0402 -0.0164 -0.0076 511 CLA C C6 +52657 C C7 . CLA WC . ? 0.8959 0.7437 0.7880 0.0358 -0.0157 -0.0072 511 CLA C C7 +52658 C C8 . CLA WC . ? 1.1203 0.9720 1.0144 0.0357 -0.0138 -0.0087 511 CLA C C8 +52659 C C9 . CLA WC . ? 1.0484 0.9069 0.9468 0.0322 -0.0131 -0.0083 511 CLA C C9 +52660 C C10 . CLA WC . ? 1.1276 0.9721 1.0161 0.0350 -0.0131 -0.0095 511 CLA C C10 +52661 C C11 . CLA WC . ? 1.0597 0.9069 0.9492 0.0361 -0.0112 -0.0113 511 CLA C C11 +52662 C C12 . CLA WC . ? 1.2199 1.0670 1.1095 0.0411 -0.0108 -0.0126 511 CLA C C12 +52663 C C13 . CLA WC . ? 1.0544 0.8970 0.9400 0.0426 -0.0094 -0.0142 511 CLA C C13 +52664 C C14 . CLA WC . ? 0.9708 0.8204 0.8604 0.0433 -0.0073 -0.0156 511 CLA C C14 +52665 C C15 . CLA WC . ? 1.0547 0.8904 0.9350 0.0390 -0.0096 -0.0139 511 CLA C C15 +52666 C C16 . CLA WC . ? 0.9080 0.7342 0.7818 0.0409 -0.0099 -0.0146 511 CLA C C16 +52667 C C17 . CLA WC . ? 1.0345 0.8568 0.9045 0.0381 -0.0090 -0.0154 511 CLA C C17 +52668 C C18 . CLA WC . ? 1.1608 0.9726 1.0238 0.0379 -0.0099 -0.0156 511 CLA C C18 +52669 C C19 . CLA WC . ? 1.2074 1.0156 1.0666 0.0368 -0.0088 -0.0171 511 CLA C C19 +52670 C C20 . CLA WC . ? 0.9717 0.7801 0.8333 0.0342 -0.0115 -0.0138 511 CLA C C20 +52671 MG MG . CLA XC . ? 0.9271 0.6962 0.7659 0.0731 -0.0218 -0.0103 512 CLA C MG +52672 C CHA . CLA XC . ? 0.9415 0.6926 0.7677 0.0838 -0.0252 -0.0090 512 CLA C CHA +52673 C CHB . CLA XC . ? 0.9250 0.6966 0.7646 0.0831 -0.0193 -0.0154 512 CLA C CHB +52674 C CHC . CLA XC . ? 0.7993 0.5795 0.6455 0.0623 -0.0185 -0.0115 512 CLA C CHC +52675 C CHD . CLA XC . ? 0.8873 0.6491 0.7219 0.0623 -0.0237 -0.0050 512 CLA C CHD +52676 N NA . CLA XC . ? 0.9530 0.7156 0.7870 0.0818 -0.0223 -0.0120 512 CLA C NA +52677 C C1A . CLA XC . ? 0.9532 0.7097 0.7829 0.0856 -0.0237 -0.0113 512 CLA C C1A +52678 C C2A . CLA XC . ? 1.1000 0.8544 0.9279 0.0922 -0.0238 -0.0130 512 CLA C C2A +52679 C C3A . CLA XC . ? 0.9835 0.7442 0.8156 0.0917 -0.0218 -0.0150 512 CLA C C3A +52680 C C4A . CLA XC . ? 0.9932 0.7585 0.8287 0.0851 -0.0211 -0.0141 512 CLA C C4A +52681 C CMA . CLA XC . ? 0.9956 0.7666 0.8346 0.0966 -0.0215 -0.0167 512 CLA C CMA +52682 C CAA . CLA XC . ? 0.9919 0.7322 0.8101 0.0940 -0.0241 -0.0128 512 CLA C CAA +52683 C CBA . CLA XC . ? 1.0391 0.7715 0.8522 0.0885 -0.0231 -0.0125 512 CLA C CBA +52684 C CGA . CLA XC . ? 1.1590 0.8771 0.9623 0.0900 -0.0236 -0.0121 512 CLA C CGA +52685 O O1A . CLA XC . ? 1.1828 0.8965 0.9828 0.0951 -0.0248 -0.0119 512 CLA C O1A +52686 O O2A . CLA XC . ? 1.0479 0.7571 0.8455 0.0852 -0.0228 -0.0119 512 CLA C O2A +52687 N NB . CLA XC . ? 0.8301 0.6050 0.6725 0.0726 -0.0193 -0.0130 512 CLA C NB +52688 C C1B . CLA XC . ? 0.9170 0.6932 0.7598 0.0770 -0.0184 -0.0149 512 CLA C C1B +52689 C C2B . CLA XC . ? 0.9731 0.7552 0.8195 0.0754 -0.0164 -0.0165 512 CLA C C2B +52690 C C3B . CLA XC . ? 0.7448 0.5291 0.5929 0.0692 -0.0164 -0.0152 512 CLA C C3B +52691 C C4B . CLA XC . ? 0.8332 0.6129 0.6787 0.0680 -0.0181 -0.0131 512 CLA C C4B +52692 C CMB . CLA XC . ? 0.8691 0.6540 0.7168 0.0792 -0.0149 -0.0188 512 CLA C CMB +52693 C CAB . CLA XC . ? 0.7841 0.5737 0.6354 0.0649 -0.0149 -0.0157 512 CLA C CAB +52694 C CBB . CLA XC . ? 0.7765 0.5714 0.6307 0.0662 -0.0133 -0.0174 512 CLA C CBB +52695 N NC . CLA XC . ? 0.8972 0.6681 0.7376 0.0642 -0.0214 -0.0086 512 CLA C NC +52696 C C1C . CLA XC . ? 0.8293 0.6048 0.6728 0.0606 -0.0200 -0.0094 512 CLA C C1C +52697 C C2C . CLA XC . ? 0.8207 0.5963 0.6646 0.0547 -0.0201 -0.0080 512 CLA C C2C +52698 C C3C . CLA XC . ? 0.8089 0.5793 0.6496 0.0547 -0.0215 -0.0061 512 CLA C C3C +52699 C C4C . CLA XC . ? 0.9042 0.6718 0.7427 0.0607 -0.0222 -0.0067 512 CLA C C4C +52700 C CMC . CLA XC . ? 0.8311 0.6108 0.6777 0.0498 -0.0190 -0.0083 512 CLA C CMC +52701 C CAC . CLA XC . ? 0.8872 0.6555 0.7268 0.0498 -0.0219 -0.0042 512 CLA C CAC +52702 C CBC . CLA XC . ? 0.8722 0.6289 0.7043 0.0477 -0.0217 -0.0040 512 CLA C CBC +52703 N ND . CLA XC . ? 0.9026 0.6617 0.7348 0.0724 -0.0238 -0.0076 512 CLA C ND +52704 C C1D . CLA XC . ? 0.8613 0.6181 0.6922 0.0682 -0.0245 -0.0055 512 CLA C C1D +52705 C C2D . CLA XC . ? 0.8761 0.6253 0.7017 0.0704 -0.0260 -0.0040 512 CLA C C2D +52706 C C3D . CLA XC . ? 0.8997 0.6466 0.7233 0.0767 -0.0264 -0.0054 512 CLA C C3D +52707 C C4D . CLA XC . ? 0.8860 0.6392 0.7139 0.0774 -0.0251 -0.0074 512 CLA C C4D +52708 C CMD . CLA XC . ? 0.8030 0.5475 0.6253 0.0676 -0.0269 -0.0017 512 CLA C CMD +52709 C CAD . CLA XC . ? 0.8856 0.6261 0.7044 0.0828 -0.0276 -0.0055 512 CLA C CAD +52710 O OBD . CLA XC . ? 0.9538 0.6876 0.7677 0.0839 -0.0289 -0.0038 512 CLA C OBD +52711 C CBD . CLA XC . ? 1.0702 0.8134 0.8907 0.0874 -0.0270 -0.0078 512 CLA C CBD +52712 C CGD . CLA XC . ? 1.0145 0.7640 0.8388 0.0931 -0.0284 -0.0081 512 CLA C CGD +52713 O O1D . CLA XC . ? 0.9875 0.7480 0.8193 0.0929 -0.0287 -0.0082 512 CLA C O1D +52714 O O2D . CLA XC . ? 1.1612 0.9036 0.9802 0.0993 -0.0296 -0.0084 512 CLA C O2D +52715 C CED . CLA XC . ? 0.9696 0.7180 0.7922 0.1047 -0.0313 -0.0087 512 CLA C CED +52716 C C1 . CLA XC . ? 1.0931 0.7893 0.8818 0.0864 -0.0227 -0.0123 512 CLA C C1 +52717 C C2 . CLA XC . ? 1.0705 0.7636 0.8575 0.0807 -0.0214 -0.0128 512 CLA C C2 +52718 C C3 . CLA XC . ? 1.2425 0.9271 1.0236 0.0811 -0.0207 -0.0142 512 CLA C C3 +52719 C C4 . CLA XC . ? 1.1245 0.8019 0.9002 0.0875 -0.0209 -0.0153 512 CLA C C4 +52720 C C5 . CLA XC . ? 1.1287 0.8109 0.9084 0.0752 -0.0196 -0.0148 512 CLA C C5 +52721 C C6 . CLA XC . ? 1.0401 0.7277 0.8228 0.0761 -0.0183 -0.0171 512 CLA C C6 +52722 C C7 . CLA XC . ? 0.9866 0.6876 0.7779 0.0790 -0.0180 -0.0176 512 CLA C C7 +52723 C C8 . CLA XC . ? 1.0578 0.7629 0.8510 0.0810 -0.0164 -0.0200 512 CLA C C8 +52724 C C9 . CLA XC . ? 1.1370 0.8537 0.9378 0.0853 -0.0162 -0.0206 512 CLA C C9 +52725 C C10 . CLA XC . ? 1.1583 0.8662 0.9532 0.0752 -0.0154 -0.0205 512 CLA C C10 +52726 C C11 . CLA XC . ? 1.0376 0.7511 0.8352 0.0772 -0.0137 -0.0227 512 CLA C C11 +52727 C C12 . CLA XC . ? 1.0864 0.7945 0.8798 0.0733 -0.0129 -0.0238 512 CLA C C12 +52728 C C13 . CLA XC . ? 1.1916 0.9054 0.9876 0.0750 -0.0111 -0.0260 512 CLA C C13 +52729 C C14 . CLA XC . ? 0.9335 0.6466 0.7283 0.0696 -0.0105 -0.0266 512 CLA C C14 +52730 C C15 . CLA XC . ? 1.0846 0.7919 0.8755 0.0806 -0.0105 -0.0278 512 CLA C C15 +52731 C C16 . CLA XC . ? 1.0035 0.7182 0.7981 0.0836 -0.0086 -0.0298 512 CLA C C16 +52732 C C17 . CLA XC . ? 1.1504 0.8597 0.9409 0.0900 -0.0081 -0.0314 512 CLA C C17 +52733 C C18 . CLA XC . ? 1.1339 0.8470 0.9254 0.0921 -0.0059 -0.0337 512 CLA C C18 +52734 C C19 . CLA XC . ? 1.2002 0.9058 0.9861 0.0981 -0.0054 -0.0354 512 CLA C C19 +52735 C C20 . CLA XC . ? 1.1676 0.8948 0.9685 0.0934 -0.0048 -0.0338 512 CLA C C20 +52736 MG MG . CLA YC . ? 0.8711 0.7651 0.7953 0.1221 -0.0014 -0.0393 513 CLA C MG +52737 C CHA . CLA YC . ? 0.8117 0.6881 0.7217 0.1089 0.0001 -0.0358 513 CLA C CHA +52738 C CHB . CLA YC . ? 0.9582 0.8607 0.8864 0.1222 0.0074 -0.0436 513 CLA C CHB +52739 C CHC . CLA YC . ? 0.9292 0.8355 0.8634 0.1374 -0.0037 -0.0432 513 CLA C CHC +52740 C CHD . CLA YC . ? 0.8831 0.7602 0.7964 0.1228 -0.0103 -0.0343 513 CLA C CHD +52741 N NA . CLA YC . ? 0.8647 0.7543 0.7842 0.1167 0.0028 -0.0396 513 CLA C NA +52742 C C1A . CLA YC . ? 0.9518 0.8357 0.8667 0.1116 0.0030 -0.0381 513 CLA C C1A +52743 C C2A . CLA YC . ? 1.0302 0.9140 0.9437 0.1086 0.0064 -0.0390 513 CLA C C2A +52744 C C3A . CLA YC . ? 1.0146 0.9065 0.9338 0.1129 0.0088 -0.0414 513 CLA C C3A +52745 C C4A . CLA YC . ? 0.9456 0.8404 0.8681 0.1176 0.0061 -0.0415 513 CLA C C4A +52746 C CMA . CLA YC . ? 0.9746 0.8588 0.8872 0.1164 0.0104 -0.0429 513 CLA C CMA +52747 C CAA . CLA YC . ? 0.8911 0.7798 0.8078 0.1022 0.0075 -0.0379 513 CLA C CAA +52748 C CBA . CLA YC . ? 0.9755 0.8612 0.8885 0.0999 0.0106 -0.0386 513 CLA C CBA +52749 C CGA . CLA YC . ? 1.0629 0.9543 0.9794 0.0942 0.0121 -0.0379 513 CLA C CGA +52750 O O1A . CLA YC . ? 1.2669 1.1537 1.1799 0.0897 0.0111 -0.0362 513 CLA C O1A +52751 O O2A . CLA YC . ? 1.1504 1.0528 1.0746 0.0939 0.0148 -0.0391 513 CLA C O2A +52752 N NB . CLA YC . ? 1.0013 0.9045 0.9319 0.1287 0.0016 -0.0429 513 CLA C NB +52753 C C1B . CLA YC . ? 0.9460 0.8527 0.8783 0.1278 0.0052 -0.0444 513 CLA C C1B +52754 C C2B . CLA YC . ? 1.0934 1.0082 1.0316 0.1330 0.0069 -0.0470 513 CLA C C2B +52755 C C3B . CLA YC . ? 1.0977 1.0138 1.0379 0.1377 0.0035 -0.0469 513 CLA C C3B +52756 C C4B . CLA YC . ? 0.8084 0.7166 0.7432 0.1345 0.0003 -0.0442 513 CLA C C4B +52757 C CMB . CLA YC . ? 1.0522 0.9726 0.9936 0.1335 0.0111 -0.0491 513 CLA C CMB +52758 C CAB . CLA YC . ? 0.9939 0.9179 0.9403 0.1441 0.0033 -0.0491 513 CLA C CAB +52759 C CBB . CLA YC . ? 1.0488 0.9676 0.9917 0.1499 0.0009 -0.0494 513 CLA C CBB +52760 N NC . CLA YC . ? 0.9887 0.8805 0.9122 0.1286 -0.0061 -0.0387 513 CLA C NC +52761 C C1C . CLA YC . ? 0.8844 0.7819 0.8124 0.1346 -0.0066 -0.0405 513 CLA C C1C +52762 C C2C . CLA YC . ? 0.9566 0.8510 0.8828 0.1387 -0.0104 -0.0397 513 CLA C C2C +52763 C C3C . CLA YC . ? 0.8868 0.7723 0.8066 0.1341 -0.0121 -0.0371 513 CLA C C3C +52764 C C4C . CLA YC . ? 0.9796 0.8645 0.8985 0.1282 -0.0093 -0.0367 513 CLA C C4C +52765 C CMC . CLA YC . ? 0.8934 0.7923 0.8233 0.1457 -0.0121 -0.0412 513 CLA C CMC +52766 C CAC . CLA YC . ? 0.9374 0.8160 0.8525 0.1351 -0.0158 -0.0351 513 CLA C CAC +52767 C CBC . CLA YC . ? 0.9881 0.8525 0.8927 0.1370 -0.0160 -0.0347 513 CLA C CBC +52768 N ND . CLA YC . ? 0.8687 0.7491 0.7832 0.1174 -0.0045 -0.0359 513 CLA C ND +52769 C C1D . CLA YC . ? 0.9954 0.8699 0.9062 0.1175 -0.0078 -0.0340 513 CLA C C1D +52770 C C2D . CLA YC . ? 0.7873 0.6536 0.6921 0.1122 -0.0084 -0.0319 513 CLA C C2D +52771 C C3D . CLA YC . ? 0.9337 0.8012 0.8385 0.1087 -0.0053 -0.0327 513 CLA C C3D +52772 C C4D . CLA YC . ? 0.7673 0.6427 0.6776 0.1120 -0.0032 -0.0349 513 CLA C C4D +52773 C CMD . CLA YC . ? 0.8254 0.6842 0.7252 0.1101 -0.0112 -0.0296 513 CLA C CMD +52774 C CAD . CLA YC . ? 0.8016 0.6653 0.7030 0.1032 -0.0036 -0.0321 513 CLA C CAD +52775 O OBD . CLA YC . ? 0.9727 0.8295 0.8692 0.0991 -0.0048 -0.0303 513 CLA C OBD +52776 C CBD . CLA YC . ? 0.8939 0.7630 0.7983 0.1033 -0.0003 -0.0340 513 CLA C CBD +52777 C CGD . CLA YC . ? 0.9137 0.7737 0.8106 0.1027 0.0013 -0.0346 513 CLA C CGD +52778 O O1D . CLA YC . ? 0.9258 0.7854 0.8215 0.0983 0.0029 -0.0343 513 CLA C O1D +52779 O O2D . CLA YC . ? 0.9215 0.7729 0.8121 0.1073 0.0008 -0.0355 513 CLA C O2D +52780 C CED . CLA YC . ? 1.0210 0.8622 0.9035 0.1059 0.0017 -0.0357 513 CLA C CED +52781 C C1 . CLA YC . ? 1.1989 1.1031 1.1231 0.0894 0.0174 -0.0390 513 CLA C C1 +52782 C C2 . CLA YC . ? 0.9477 0.8591 0.8762 0.0915 0.0211 -0.0411 513 CLA C C2 +52783 C C3 . CLA YC . ? 1.0740 0.9805 0.9975 0.0931 0.0233 -0.0424 513 CLA C C3 +52784 C C4 . CLA YC . ? 1.0271 0.9209 0.9407 0.0926 0.0220 -0.0418 513 CLA C C4 +52785 C C5 . CLA YC . ? 0.9996 0.9131 0.9273 0.0952 0.0272 -0.0446 513 CLA C C5 +52786 C C6 . CLA YC . ? 1.1009 1.0094 1.0244 0.1005 0.0282 -0.0465 513 CLA C C6 +52787 C C7 . CLA YC . ? 1.1332 1.0467 1.0619 0.1061 0.0270 -0.0476 513 CLA C C7 +52788 C C8 . CLA YC . ? 1.3026 1.2103 1.2265 0.1116 0.0277 -0.0493 513 CLA C C8 +52789 C C9 . CLA YC . ? 1.3594 1.2538 1.2725 0.1103 0.0271 -0.0486 513 CLA C C9 +52790 C C10 . CLA YC . ? 1.4161 1.3247 1.3423 0.1169 0.0249 -0.0497 513 CLA C C10 +52791 C C11 . CLA YC . ? 1.5152 1.4362 1.4512 0.1204 0.0265 -0.0516 513 CLA C C11 +52792 C C12 . CLA YC . ? 1.5383 1.4596 1.4759 0.1262 0.0236 -0.0521 513 CLA C C12 +52793 C C13 . CLA YC . ? 1.7697 1.6961 1.7108 0.1321 0.0259 -0.0548 513 CLA C C13 +52794 C C14 . CLA YC . ? 1.4504 1.3659 1.3823 0.1351 0.0269 -0.0557 513 CLA C C14 +52795 C C15 . CLA YC . ? 1.7406 1.6729 1.6876 0.1372 0.0233 -0.0554 513 CLA C C15 +52796 C C16 . CLA YC . ? 1.4197 1.3641 1.3768 0.1351 0.0223 -0.0550 513 CLA C C16 +52797 C C17 . CLA YC . ? 1.5848 1.5331 1.5462 0.1410 0.0194 -0.0558 513 CLA C C17 +52798 C C18 . CLA YC . ? 1.4778 1.4382 1.4494 0.1400 0.0179 -0.0558 513 CLA C C18 +52799 C C19 . CLA YC . ? 1.5799 1.5441 1.5552 0.1469 0.0154 -0.0571 513 CLA C C19 +52800 C C20 . CLA YC . ? 1.4518 1.4095 1.4218 0.1347 0.0152 -0.0531 513 CLA C C20 +52801 MG MG . CLA ZC . ? 1.0102 0.8133 0.8677 0.1421 -0.0072 -0.0391 514 CLA C MG +52802 C CHA . CLA ZC . ? 1.0877 0.8763 0.9352 0.1586 -0.0110 -0.0406 514 CLA C CHA +52803 C CHB . CLA ZC . ? 1.0461 0.8784 0.9256 0.1467 -0.0094 -0.0396 514 CLA C CHB +52804 C CHC . CLA ZC . ? 0.9830 0.8009 0.8500 0.1282 -0.0026 -0.0386 514 CLA C CHC +52805 C CHD . CLA ZC . ? 1.0220 0.7955 0.8568 0.1390 -0.0045 -0.0402 514 CLA C CHD +52806 N NA . CLA ZC . ? 1.0921 0.9021 0.9552 0.1510 -0.0096 -0.0400 514 CLA C NA +52807 C C1A . CLA ZC . ? 1.1664 0.9697 1.0248 0.1569 -0.0112 -0.0403 514 CLA C C1A +52808 C C2A . CLA ZC . ? 1.1617 0.9724 1.0258 0.1623 -0.0133 -0.0407 514 CLA C C2A +52809 C C3A . CLA ZC . ? 1.2740 1.0984 1.1482 0.1582 -0.0129 -0.0404 514 CLA C C3A +52810 C C4A . CLA ZC . ? 0.9613 0.7834 0.8334 0.1515 -0.0104 -0.0399 514 CLA C C4A +52811 C CMA . CLA ZC . ? 1.0465 0.8706 0.9209 0.1567 -0.0161 -0.0381 514 CLA C CMA +52812 C CAA . CLA ZC . ? 1.1610 0.9764 1.0281 0.1689 -0.0117 -0.0435 514 CLA C CAA +52813 C CBA . CLA ZC . ? 1.1603 0.9836 1.0325 0.1662 -0.0080 -0.0452 514 CLA C CBA +52814 C CGA . CLA ZC . ? 1.2336 1.0650 1.1114 0.1723 -0.0063 -0.0480 514 CLA C CGA +52815 O O1A . CLA ZC . ? 1.5897 1.4257 1.4712 0.1779 -0.0079 -0.0488 514 CLA C O1A +52816 O O2A . CLA ZC . ? 1.3865 1.2203 1.2651 0.1715 -0.0025 -0.0499 514 CLA C O2A +52817 N NB . CLA ZC . ? 1.0386 0.8609 0.9099 0.1380 -0.0059 -0.0391 514 CLA C NB +52818 C C1B . CLA ZC . ? 0.9285 0.7611 0.8077 0.1400 -0.0071 -0.0391 514 CLA C C1B +52819 C C2B . CLA ZC . ? 1.0271 0.8711 0.9146 0.1352 -0.0061 -0.0387 514 CLA C C2B +52820 C C3B . CLA ZC . ? 1.0474 0.8865 0.9307 0.1297 -0.0040 -0.0383 514 CLA C C3B +52821 C C4B . CLA ZC . ? 0.9454 0.7714 0.8190 0.1321 -0.0042 -0.0387 514 CLA C C4B +52822 C CMB . CLA ZC . ? 0.9345 0.7912 0.8318 0.1356 -0.0070 -0.0387 514 CLA C CMB +52823 C CAB . CLA ZC . ? 0.9926 0.8375 0.8797 0.1234 -0.0023 -0.0378 514 CLA C CAB +52824 C CBB . CLA ZC . ? 1.0356 0.8928 0.9316 0.1224 -0.0012 -0.0383 514 CLA C CBB +52825 N NC . CLA ZC . ? 1.0764 0.8735 0.9285 0.1350 -0.0042 -0.0392 514 CLA C NC +52826 C C1C . CLA ZC . ? 0.9258 0.7309 0.7832 0.1302 -0.0024 -0.0392 514 CLA C C1C +52827 C C2C . CLA ZC . ? 0.9281 0.7279 0.7807 0.1268 -0.0003 -0.0399 514 CLA C C2C +52828 C C3C . CLA ZC . ? 0.8766 0.6635 0.7199 0.1299 -0.0009 -0.0404 514 CLA C C3C +52829 C C4C . CLA ZC . ? 0.9667 0.7529 0.8105 0.1349 -0.0033 -0.0399 514 CLA C C4C +52830 C CMC . CLA ZC . ? 0.8778 0.6834 0.7336 0.1214 0.0020 -0.0400 514 CLA C CMC +52831 C CAC . CLA ZC . ? 1.0211 0.7977 0.8561 0.1286 0.0005 -0.0413 514 CLA C CAC +52832 C CBC . CLA ZC . ? 0.9133 0.6948 0.7506 0.1325 0.0033 -0.0439 514 CLA C CBC +52833 N ND . CLA ZC . ? 1.0994 0.8852 0.9441 0.1470 -0.0073 -0.0401 514 CLA C ND +52834 C C1D . CLA ZC . ? 1.1290 0.9025 0.9644 0.1454 -0.0063 -0.0404 514 CLA C C1D +52835 C C2D . CLA ZC . ? 1.0815 0.8432 0.9086 0.1505 -0.0075 -0.0408 514 CLA C C2D +52836 C C3D . CLA ZC . ? 1.1610 0.9289 0.9931 0.1560 -0.0093 -0.0408 514 CLA C C3D +52837 C C4D . CLA ZC . ? 1.1112 0.8926 0.9531 0.1535 -0.0091 -0.0404 514 CLA C C4D +52838 C CMD . CLA ZC . ? 1.0151 0.7620 0.8314 0.1509 -0.0071 -0.0412 514 CLA C CMD +52839 C CAD . CLA ZC . ? 1.2144 0.9800 1.0452 0.1631 -0.0114 -0.0411 514 CLA C CAD +52840 O OBD . CLA ZC . ? 1.3336 1.0874 1.1558 0.1671 -0.0122 -0.0414 514 CLA C OBD +52841 C CBD . CLA ZC . ? 1.2169 0.9955 1.0573 0.1649 -0.0127 -0.0409 514 CLA C CBD +52842 C CGD . CLA ZC . ? 1.1579 0.9307 0.9947 0.1652 -0.0160 -0.0387 514 CLA C CGD +52843 O O1D . CLA ZC . ? 1.3233 1.0957 1.1602 0.1597 -0.0169 -0.0366 514 CLA C O1D +52844 O O2D . CLA ZC . ? 1.2848 1.0518 1.1175 0.1722 -0.0181 -0.0389 514 CLA C O2D +52845 C CED . CLA ZC . ? 1.3894 1.1461 1.2151 0.1721 -0.0209 -0.0367 514 CLA C CED +52846 C C1 . CLA ZC . ? 1.3263 1.1713 1.2129 0.1758 -0.0004 -0.0525 514 CLA C C1 +52847 C C2 . CLA ZC . ? 1.4194 1.2730 1.3116 0.1708 0.0031 -0.0532 514 CLA C C2 +52848 C C3 . CLA ZC . ? 1.2731 1.1222 1.1609 0.1698 0.0062 -0.0543 514 CLA C C3 +52849 C C4 . CLA ZC . ? 1.4209 1.2565 1.2984 0.1733 0.0061 -0.0549 514 CLA C C4 +52850 C C5 . CLA ZC . ? 1.4183 1.2757 1.3113 0.1649 0.0097 -0.0549 514 CLA C C5 +52851 C C6 . CLA ZC . ? 1.4069 1.2546 1.2920 0.1593 0.0108 -0.0538 514 CLA C C6 +52852 C C7 . CLA ZC . ? 1.6113 1.4669 1.5011 0.1547 0.0144 -0.0545 514 CLA C C7 +52853 C C8 . CLA ZC . ? 1.4737 1.3208 1.3564 0.1484 0.0148 -0.0530 514 CLA C C8 +52854 C C9 . CLA ZC . ? 1.4631 1.2948 1.3345 0.1498 0.0134 -0.0527 514 CLA C C9 +52855 C C10 . CLA ZC . ? 1.4950 1.3467 1.3795 0.1460 0.0189 -0.0544 514 CLA C C10 +52856 C C11 . CLA ZC . ? 1.5187 1.3767 1.4077 0.1391 0.0193 -0.0529 514 CLA C C11 +52857 C C12 . CLA ZC . ? 1.5788 1.4504 1.4788 0.1392 0.0190 -0.0527 514 CLA C C12 +52858 C C13 . CLA ZC . ? 1.5475 1.4248 1.4513 0.1323 0.0199 -0.0514 514 CLA C C13 +52859 C C14 . CLA ZC . ? 1.4500 1.3377 1.3629 0.1314 0.0181 -0.0505 514 CLA C C14 +52860 C C15 . CLA ZC . ? 1.5006 1.3669 1.3961 0.1274 0.0184 -0.0494 514 CLA C C15 +52861 C C16 . CLA ZC . ? 1.5461 1.4163 1.4439 0.1206 0.0193 -0.0481 514 CLA C C16 +52862 C C17 . CLA ZC . ? 1.4115 1.2720 1.3026 0.1165 0.0166 -0.0458 514 CLA C C17 +52863 C C18 . CLA ZC . ? 1.2319 1.0965 1.1256 0.1099 0.0170 -0.0443 514 CLA C C18 +52864 C C19 . CLA ZC . ? 1.1369 0.9934 1.0254 0.1060 0.0140 -0.0421 514 CLA C C19 +52865 C C20 . CLA ZC . ? 1.3746 1.2391 1.2662 0.1076 0.0204 -0.0454 514 CLA C C20 +52866 C C1 . BCR AD . ? 1.0457 0.8109 0.8396 0.0916 0.0320 -0.0559 515 BCR C C1 +52867 C C2 . BCR AD . ? 1.0537 0.8119 0.8399 0.0878 0.0316 -0.0563 515 BCR C C2 +52868 C C3 . BCR AD . ? 1.0017 0.7548 0.7859 0.0832 0.0277 -0.0547 515 BCR C C3 +52869 C C4 . BCR AD . ? 0.9606 0.7054 0.7411 0.0854 0.0253 -0.0548 515 BCR C C4 +52870 C C5 . BCR AD . ? 1.0215 0.7709 0.8074 0.0903 0.0260 -0.0549 515 BCR C C5 +52871 C C6 . BCR AD . ? 0.8494 0.6081 0.6414 0.0932 0.0290 -0.0555 515 BCR C C6 +52872 C C7 . BCR AD . ? 1.0178 0.7807 0.8150 0.0982 0.0292 -0.0556 515 BCR C C7 +52873 C C8 . BCR AD . ? 1.1593 0.9271 0.9628 0.0978 0.0273 -0.0539 515 BCR C C8 +52874 C C9 . BCR AD . ? 1.1289 0.9005 0.9369 0.1031 0.0275 -0.0543 515 BCR C C9 +52875 C C10 . BCR AD . ? 1.1195 0.8985 0.9351 0.1028 0.0262 -0.0527 515 BCR C C10 +52876 C C11 . BCR AD . ? 1.0663 0.8500 0.8871 0.1079 0.0260 -0.0530 515 BCR C C11 +52877 C C33 . BCR AD . ? 0.9757 0.7184 0.7596 0.0919 0.0233 -0.0544 515 BCR C C33 +52878 C C31 . BCR AD . ? 0.9481 0.7243 0.7510 0.0886 0.0320 -0.0540 515 BCR C C31 +52879 C C32 . BCR AD . ? 1.0076 0.7756 0.8020 0.0967 0.0356 -0.0580 515 BCR C C32 +52880 C C34 . BCR AD . ? 1.3276 1.0942 1.1314 0.1090 0.0290 -0.0565 515 BCR C C34 +52881 C C12 . BCR AD . ? 1.2281 1.0169 1.0548 0.1069 0.0240 -0.0512 515 BCR C C12 +52882 C C13 . BCR AD . ? 1.2810 1.0753 1.1136 0.1117 0.0235 -0.0513 515 BCR C C13 +52883 C C14 . BCR AD . ? 1.0969 0.8943 0.9338 0.1104 0.0209 -0.0494 515 BCR C C14 +52884 C C15 . BCR AD . ? 1.1801 0.9833 1.0230 0.1150 0.0200 -0.0494 515 BCR C C15 +52885 C C16 . BCR AD . ? 1.0994 0.9063 0.9467 0.1135 0.0176 -0.0476 515 BCR C C16 +52886 C C17 . BCR AD . ? 1.1126 0.9254 0.9657 0.1182 0.0166 -0.0477 515 BCR C C17 +52887 C C18 . BCR AD . ? 1.1629 0.9794 1.0204 0.1171 0.0141 -0.0459 515 BCR C C18 +52888 C C19 . BCR AD . ? 1.0328 0.8552 0.8959 0.1223 0.0131 -0.0463 515 BCR C C19 +52889 C C20 . BCR AD . ? 1.0061 0.8334 0.8742 0.1216 0.0109 -0.0448 515 BCR C C20 +52890 C C21 . BCR AD . ? 1.1279 0.9608 1.0010 0.1273 0.0100 -0.0455 515 BCR C C21 +52891 C C22 . BCR AD . ? 1.2043 1.0441 1.0837 0.1274 0.0080 -0.0444 515 BCR C C22 +52892 C C23 . BCR AD . ? 1.0527 0.8972 0.9362 0.1332 0.0072 -0.0454 515 BCR C C23 +52893 C C24 . BCR AD . ? 1.0688 0.9176 0.9566 0.1341 0.0046 -0.0443 515 BCR C C24 +52894 C C25 . BCR AD . ? 0.9912 0.8456 0.8837 0.1406 0.0035 -0.0455 515 BCR C C25 +52895 C C26 . BCR AD . ? 1.2299 1.0762 1.1169 0.1458 0.0017 -0.0457 515 BCR C C26 +52896 C C27 . BCR AD . ? 1.1714 1.0234 1.0632 0.1527 0.0004 -0.0470 515 BCR C C27 +52897 C C28 . BCR AD . ? 1.2477 1.1149 1.1504 0.1536 0.0025 -0.0487 515 BCR C C28 +52898 C C29 . BCR AD . ? 1.0858 0.9608 0.9945 0.1472 0.0026 -0.0473 515 BCR C C29 +52899 C C30 . BCR AD . ? 1.1674 1.0370 1.0713 0.1409 0.0045 -0.0464 515 BCR C C30 +52900 C C35 . BCR AD . ? 1.0534 0.8504 0.8872 0.1178 0.0259 -0.0536 515 BCR C C35 +52901 C C36 . BCR AD . ? 1.0221 0.8370 0.8790 0.1109 0.0122 -0.0436 515 BCR C C36 +52902 C C37 . BCR AD . ? 0.9864 0.8289 0.8682 0.1214 0.0066 -0.0421 515 BCR C C37 +52903 C C38 . BCR AD . ? 1.0053 0.8364 0.8811 0.1451 0.0008 -0.0448 515 BCR C C38 +52904 C C39 . BCR AD . ? 1.0700 0.9454 0.9770 0.1408 0.0086 -0.0484 515 BCR C C39 +52905 C C40 . BCR AD . ? 1.0312 0.9051 0.9387 0.1347 0.0035 -0.0443 515 BCR C C40 +52906 C C1 . BCR BD . ? 1.0768 1.0843 1.0903 0.0646 -0.0221 -0.0261 516 BCR C C1 +52907 C C2 . BCR BD . ? 0.7685 0.7800 0.7851 0.0658 -0.0256 -0.0262 516 BCR C C2 +52908 C C3 . BCR BD . ? 0.7610 0.7833 0.7863 0.0635 -0.0251 -0.0278 516 BCR C C3 +52909 C C4 . BCR BD . ? 0.7601 0.7818 0.7850 0.0575 -0.0227 -0.0267 516 BCR C C4 +52910 C C5 . BCR BD . ? 0.8472 0.8644 0.8685 0.0561 -0.0192 -0.0263 516 BCR C C5 +52911 C C6 . BCR BD . ? 0.7754 0.7862 0.7917 0.0593 -0.0190 -0.0261 516 BCR C C6 +52912 C C7 . BCR BD . ? 0.8445 0.8510 0.8573 0.0577 -0.0156 -0.0259 516 BCR C C7 +52913 C C8 . BCR BD . ? 0.9257 0.9368 0.9422 0.0580 -0.0126 -0.0276 516 BCR C C8 +52914 C C9 . BCR BD . ? 0.8925 0.8983 0.9045 0.0562 -0.0095 -0.0271 516 BCR C C9 +52915 C C10 . BCR BD . ? 0.8344 0.8452 0.8503 0.0554 -0.0061 -0.0286 516 BCR C C10 +52916 C C11 . BCR BD . ? 0.7233 0.7292 0.7348 0.0537 -0.0029 -0.0283 516 BCR C C11 +52917 C C33 . BCR BD . ? 0.9512 0.9709 0.9745 0.0510 -0.0161 -0.0262 516 BCR C C33 +52918 C C31 . BCR BD . ? 0.8721 0.8678 0.8762 0.0645 -0.0227 -0.0240 516 BCR C C31 +52919 C C32 . BCR BD . ? 1.1355 1.1468 1.1523 0.0688 -0.0208 -0.0283 516 BCR C C32 +52920 C C34 . BCR BD . ? 0.7726 0.7675 0.7757 0.0551 -0.0101 -0.0250 516 BCR C C34 +52921 C C12 . BCR BD . ? 0.8443 0.8554 0.8596 0.0536 0.0004 -0.0300 516 BCR C C12 +52922 C C13 . BCR BD . ? 0.8017 0.8082 0.8127 0.0520 0.0037 -0.0298 516 BCR C C13 +52923 C C14 . BCR BD . ? 0.7387 0.7508 0.7538 0.0523 0.0070 -0.0316 516 BCR C C14 +52924 C C15 . BCR BD . ? 0.8200 0.8285 0.8313 0.0510 0.0106 -0.0318 516 BCR C C15 +52925 C C16 . BCR BD . ? 0.7585 0.7731 0.7743 0.0515 0.0140 -0.0336 516 BCR C C16 +52926 C C17 . BCR BD . ? 0.7434 0.7540 0.7549 0.0502 0.0175 -0.0337 516 BCR C C17 +52927 C C18 . BCR BD . ? 0.9299 0.9451 0.9445 0.0511 0.0211 -0.0355 516 BCR C C18 +52928 C C19 . BCR BD . ? 0.7204 0.7299 0.7290 0.0496 0.0243 -0.0353 516 BCR C C19 +52929 C C20 . BCR BD . ? 0.8453 0.8585 0.8559 0.0494 0.0284 -0.0367 516 BCR C C20 +52930 C C21 . BCR BD . ? 0.7536 0.7598 0.7571 0.0477 0.0310 -0.0362 516 BCR C C21 +52931 C C22 . BCR BD . ? 0.9706 0.9787 0.9745 0.0471 0.0352 -0.0373 516 BCR C C22 +52932 C C23 . BCR BD . ? 0.8739 0.8745 0.8702 0.0456 0.0369 -0.0365 516 BCR C C23 +52933 C C24 . BCR BD . ? 0.8134 0.8149 0.8089 0.0443 0.0412 -0.0373 516 BCR C C24 +52934 C C25 . BCR BD . ? 0.7391 0.7321 0.7260 0.0425 0.0429 -0.0365 516 BCR C C25 +52935 C C26 . BCR BD . ? 0.7670 0.7521 0.7470 0.0451 0.0422 -0.0365 516 BCR C C26 +52936 C C27 . BCR BD . ? 0.6844 0.6611 0.6556 0.0432 0.0438 -0.0358 516 BCR C C27 +52937 C C28 . BCR BD . ? 0.7279 0.7043 0.6981 0.0380 0.0447 -0.0342 516 BCR C C28 +52938 C C29 . BCR BD . ? 0.7243 0.7102 0.7021 0.0362 0.0475 -0.0350 516 BCR C C29 +52939 C C30 . BCR BD . ? 0.8460 0.8396 0.8323 0.0376 0.0453 -0.0356 516 BCR C C30 +52940 C C35 . BCR BD . ? 0.6485 0.6445 0.6507 0.0502 0.0033 -0.0278 516 BCR C C35 +52941 C C36 . BCR BD . ? 0.7568 0.7825 0.7804 0.0535 0.0219 -0.0378 516 BCR C C36 +52942 C C37 . BCR BD . ? 0.7719 0.7905 0.7843 0.0482 0.0380 -0.0395 516 BCR C C37 +52943 C C38 . BCR BD . ? 0.6955 0.6793 0.6755 0.0501 0.0399 -0.0374 516 BCR C C38 +52944 C C39 . BCR BD . ? 0.9208 0.9135 0.9073 0.0344 0.0420 -0.0336 516 BCR C C39 +52945 C C40 . BCR BD . ? 0.7456 0.7492 0.7399 0.0370 0.0488 -0.0372 516 BCR C C40 +52946 C C1A A DGD CD . ? 0.8820 0.8396 0.8432 0.0037 0.0158 -0.0131 517 DGD C C1A +52947 C C1A B DGD CD . ? 0.8855 0.8430 0.8467 0.0040 0.0158 -0.0132 517 DGD C C1A +52948 C C2A A DGD CD . ? 0.8932 0.8541 0.8588 0.0049 0.0133 -0.0130 517 DGD C C2A +52949 C C2A B DGD CD . ? 0.8930 0.8542 0.8589 0.0053 0.0133 -0.0132 517 DGD C C2A +52950 C C3A A DGD CD . ? 0.8822 0.8485 0.8526 0.0027 0.0135 -0.0128 517 DGD C C3A +52951 C C3A B DGD CD . ? 0.8832 0.8493 0.8534 0.0028 0.0133 -0.0127 517 DGD C C3A +52952 C C4A A DGD CD . ? 0.9621 0.9311 0.9361 0.0040 0.0106 -0.0126 517 DGD C C4A +52953 C C4A B DGD CD . ? 0.9628 0.9317 0.9368 0.0042 0.0105 -0.0127 517 DGD C C4A +52954 C C5A A DGD CD . ? 0.9892 0.9608 0.9660 0.0077 0.0104 -0.0141 517 DGD C C5A +52955 C C5A B DGD CD . ? 0.9897 0.9614 0.9666 0.0079 0.0104 -0.0141 517 DGD C C5A +52956 C C6A A DGD CD . ? 1.1152 1.0920 1.0974 0.0088 0.0083 -0.0144 517 DGD C C6A +52957 C C6A B DGD CD . ? 1.1162 1.0926 1.0982 0.0091 0.0081 -0.0144 517 DGD C C6A +52958 C C7A A DGD CD . ? 1.2273 1.2078 1.2131 0.0125 0.0086 -0.0161 517 DGD C C7A +52959 C C7A B DGD CD . ? 1.2301 1.2103 1.2157 0.0128 0.0085 -0.0161 517 DGD C C7A +52960 C C8A A DGD CD . ? 1.3390 1.3236 1.3292 0.0143 0.0059 -0.0164 517 DGD C C8A +52961 C C8A B DGD CD . ? 1.3406 1.3250 1.3306 0.0145 0.0058 -0.0164 517 DGD C C8A +52962 C C9A A DGD CD . ? 1.3180 1.3107 1.3151 0.0128 0.0066 -0.0173 517 DGD C C9A +52963 C C9A B DGD CD . ? 1.3200 1.3123 1.3168 0.0129 0.0066 -0.0173 517 DGD C C9A +52964 C CAA A DGD CD . ? 1.3157 1.3140 1.3182 0.0161 0.0052 -0.0187 517 DGD C CAA +52965 C CAA B DGD CD . ? 1.3162 1.3143 1.3185 0.0162 0.0052 -0.0187 517 DGD C CAA +52966 C CBA A DGD CD . ? 1.2304 1.2245 1.2299 0.0187 0.0017 -0.0178 517 DGD C CBA +52967 C CBA B DGD CD . ? 1.2293 1.2232 1.2287 0.0188 0.0017 -0.0178 517 DGD C CBA +52968 C CCA A DGD CD . ? 1.3895 1.3847 1.3903 0.0232 0.0012 -0.0192 517 DGD C CCA +52969 C CCA B DGD CD . ? 1.3909 1.3858 1.3915 0.0233 0.0012 -0.0191 517 DGD C CCA +52970 C CDA A DGD CD . ? 1.3203 1.3089 1.3161 0.0256 -0.0017 -0.0180 517 DGD C CDA +52971 C CDA B DGD CD . ? 1.3206 1.3093 1.3166 0.0257 -0.0018 -0.0181 517 DGD C CDA +52972 C CEA A DGD CD . ? 1.2303 1.2213 1.2286 0.0303 -0.0031 -0.0193 517 DGD C CEA +52973 C CEA B DGD CD . ? 1.2300 1.2211 1.2284 0.0304 -0.0031 -0.0194 517 DGD C CEA +52974 C CFA A DGD CD . ? 1.1628 1.1458 1.1547 0.0330 -0.0042 -0.0187 517 DGD C CFA +52975 C CFA B DGD CD . ? 1.1625 1.1458 1.1547 0.0332 -0.0042 -0.0188 517 DGD C CFA +52976 C CGA A DGD CD . ? 1.1223 1.1076 1.1165 0.0379 -0.0050 -0.0202 517 DGD C CGA +52977 C CGA B DGD CD . ? 1.1228 1.1085 1.1173 0.0380 -0.0048 -0.0204 517 DGD C CGA +52978 O O1A A DGD CD . ? 0.8293 0.7867 0.7894 0.0010 0.0171 -0.0125 517 DGD C O1A +52979 O O1A B DGD CD . ? 0.8297 0.7867 0.7896 0.0012 0.0169 -0.0125 517 DGD C O1A +52980 C C1B A DGD CD . ? 0.7945 0.7564 0.7591 0.0136 0.0207 -0.0183 517 DGD C C1B +52981 C C1B B DGD CD . ? 0.7961 0.7581 0.7607 0.0136 0.0208 -0.0184 517 DGD C C1B +52982 C C2B A DGD CD . ? 0.8249 0.7860 0.7898 0.0175 0.0191 -0.0191 517 DGD C C2B +52983 C C2B B DGD CD . ? 0.8259 0.7873 0.7911 0.0175 0.0190 -0.0191 517 DGD C C2B +52984 C C3B A DGD CD . ? 0.8467 0.8025 0.8082 0.0176 0.0155 -0.0177 517 DGD C C3B +52985 C C3B B DGD CD . ? 0.8470 0.8030 0.8088 0.0174 0.0154 -0.0176 517 DGD C C3B +52986 C C4B A DGD CD . ? 0.8522 0.8119 0.8182 0.0167 0.0132 -0.0169 517 DGD C C4B +52987 C C4B B DGD CD . ? 0.8517 0.8119 0.8181 0.0167 0.0132 -0.0169 517 DGD C C4B +52988 C C5B A DGD CD . ? 0.9765 0.9311 0.9393 0.0179 0.0099 -0.0159 517 DGD C C5B +52989 C C5B B DGD CD . ? 0.9866 0.9419 0.9500 0.0177 0.0098 -0.0158 517 DGD C C5B +52990 C C6B A DGD CD . ? 0.9019 0.8515 0.8603 0.0148 0.0086 -0.0141 517 DGD C C6B +52991 C C6B B DGD CD . ? 0.9077 0.8580 0.8666 0.0145 0.0087 -0.0141 517 DGD C C6B +52992 C C7B A DGD CD . ? 0.9491 0.9002 0.9098 0.0140 0.0060 -0.0130 517 DGD C C7B +52993 C C7B B DGD CD . ? 0.9498 0.9010 0.9106 0.0137 0.0059 -0.0129 517 DGD C C7B +52994 C C8B A DGD CD . ? 0.8711 0.8155 0.8270 0.0144 0.0034 -0.0118 517 DGD C C8B +52995 C C8B B DGD CD . ? 0.8743 0.8190 0.8305 0.0148 0.0034 -0.0120 517 DGD C C8B +52996 C C9B A DGD CD . ? 0.9063 0.8524 0.8647 0.0150 0.0008 -0.0111 517 DGD C C9B +52997 C C9B B DGD CD . ? 0.9069 0.8532 0.8655 0.0152 0.0008 -0.0111 517 DGD C C9B +52998 C CAB A DGD CD . ? 0.9079 0.8472 0.8614 0.0155 -0.0015 -0.0100 517 DGD C CAB +52999 C CAB B DGD CD . ? 0.9094 0.8488 0.8630 0.0157 -0.0015 -0.0100 517 DGD C CAB +53000 C CBB A DGD CD . ? 0.8006 0.7408 0.7558 0.0157 -0.0040 -0.0090 517 DGD C CBB +53001 C CBB B DGD CD . ? 0.8020 0.7426 0.7575 0.0160 -0.0040 -0.0091 517 DGD C CBB +53002 C CCB A DGD CD . ? 0.7483 0.6817 0.6986 0.0156 -0.0060 -0.0077 517 DGD C CCB +53003 C CCB B DGD CD . ? 0.7494 0.6831 0.6999 0.0159 -0.0060 -0.0078 517 DGD C CCB +53004 C CDB A DGD CD . ? 0.7644 0.6995 0.7168 0.0163 -0.0083 -0.0070 517 DGD C CDB +53005 C CDB B DGD CD . ? 0.7647 0.6999 0.7172 0.0165 -0.0083 -0.0070 517 DGD C CDB +53006 C CEB A DGD CD . ? 0.7419 0.6707 0.6899 0.0163 -0.0103 -0.0056 517 DGD C CEB +53007 C CEB B DGD CD . ? 0.7424 0.6713 0.6904 0.0161 -0.0102 -0.0056 517 DGD C CEB +53008 C CFB A DGD CD . ? 0.7227 0.6538 0.6730 0.0169 -0.0123 -0.0049 517 DGD C CFB +53009 C CFB B DGD CD . ? 0.7228 0.6538 0.6730 0.0170 -0.0123 -0.0050 517 DGD C CFB +53010 C CGB A DGD CD . ? 0.8292 0.7539 0.7751 0.0177 -0.0143 -0.0038 517 DGD C CGB +53011 C CGB B DGD CD . ? 0.8313 0.7558 0.7770 0.0177 -0.0142 -0.0038 517 DGD C CGB +53012 O O1B A DGD CD . ? 0.7351 0.7031 0.7045 0.0124 0.0226 -0.0189 517 DGD C O1B +53013 O O1B B DGD CD . ? 0.7363 0.7043 0.7057 0.0124 0.0227 -0.0190 517 DGD C O1B +53014 O O1G A DGD CD . ? 0.8581 0.8124 0.8161 0.0061 0.0168 -0.0140 517 DGD C O1G +53015 O O1G B DGD CD . ? 0.8616 0.8157 0.8195 0.0063 0.0168 -0.0141 517 DGD C O1G +53016 C C1G A DGD CD . ? 0.7529 0.7056 0.7079 0.0053 0.0198 -0.0146 517 DGD C C1G +53017 C C1G B DGD CD . ? 0.7531 0.7056 0.7080 0.0055 0.0197 -0.0146 517 DGD C C1G +53018 C C2G A DGD CD . ? 0.6772 0.6342 0.6358 0.0079 0.0219 -0.0164 517 DGD C C2G +53019 C C2G B DGD CD . ? 0.6746 0.6315 0.6331 0.0079 0.0220 -0.0164 517 DGD C C2G +53020 O O2G A DGD CD . ? 0.7676 0.7231 0.7261 0.0112 0.0200 -0.0169 517 DGD C O2G +53021 O O2G B DGD CD . ? 0.7697 0.7251 0.7280 0.0113 0.0202 -0.0169 517 DGD C O2G +53022 C C3G A DGD CD . ? 0.6505 0.6052 0.6053 0.0075 0.0251 -0.0170 517 DGD C C3G +53023 C C3G B DGD CD . ? 0.6497 0.6041 0.6043 0.0075 0.0251 -0.0170 517 DGD C C3G +53024 O O3G A DGD CD . ? 0.6666 0.6234 0.6223 0.0042 0.0268 -0.0164 517 DGD C O3G +53025 O O3G B DGD CD . ? 0.6660 0.6230 0.6219 0.0044 0.0270 -0.0165 517 DGD C O3G +53026 C C1D A DGD CD . ? 0.6875 0.6397 0.6375 0.0028 0.0287 -0.0161 517 DGD C C1D +53027 C C1D B DGD CD . ? 0.6879 0.6401 0.6379 0.0028 0.0287 -0.0161 517 DGD C C1D +53028 C C2D A DGD CD . ? 0.6948 0.6484 0.6454 -0.0008 0.0298 -0.0151 517 DGD C C2D +53029 C C2D B DGD CD . ? 0.6950 0.6487 0.6457 -0.0008 0.0297 -0.0151 517 DGD C C2D +53030 O O2D A DGD CD . ? 0.6905 0.6417 0.6398 -0.0023 0.0267 -0.0136 517 DGD C O2D +53031 O O2D B DGD CD . ? 0.6914 0.6425 0.6407 -0.0022 0.0265 -0.0136 517 DGD C O2D +53032 C C3D A DGD CD . ? 0.7120 0.6616 0.6570 -0.0022 0.0324 -0.0150 517 DGD C C3D +53033 C C3D B DGD CD . ? 0.7117 0.6616 0.6570 -0.0023 0.0324 -0.0149 517 DGD C C3D +53034 O O3D A DGD CD . ? 0.6777 0.6286 0.6232 -0.0053 0.0337 -0.0141 517 DGD C O3D +53035 O O3D B DGD CD . ? 0.6780 0.6295 0.6242 -0.0054 0.0335 -0.0141 517 DGD C O3D +53036 C C4D A DGD CD . ? 0.6947 0.6462 0.6404 -0.0005 0.0358 -0.0166 517 DGD C C4D +53037 C C4D B DGD CD . ? 0.6949 0.6466 0.6407 -0.0006 0.0358 -0.0166 517 DGD C C4D +53038 O O4D A DGD CD . ? 0.6568 0.6159 0.6096 -0.0010 0.0377 -0.0174 517 DGD C O4D +53039 O O4D B DGD CD . ? 0.6568 0.6161 0.6097 -0.0010 0.0378 -0.0175 517 DGD C O4D +53040 C C5D A DGD CD . ? 0.6393 0.5893 0.5843 0.0031 0.0344 -0.0175 517 DGD C C5D +53041 C C5D B DGD CD . ? 0.6388 0.5888 0.5838 0.0030 0.0345 -0.0175 517 DGD C C5D +53042 O O5D A DGD CD . ? 0.7299 0.6753 0.6680 0.0045 0.0392 -0.0190 517 DGD C O5D +53043 O O5D B DGD CD . ? 0.7361 0.6819 0.6746 0.0048 0.0392 -0.0192 517 DGD C O5D +53044 C C6D A DGD CD . ? 0.6636 0.6153 0.6091 0.0051 0.0378 -0.0192 517 DGD C C6D +53045 C C6D B DGD CD . ? 0.6631 0.6152 0.6090 0.0050 0.0378 -0.0192 517 DGD C C6D +53046 O O6D A DGD CD . ? 0.6750 0.6286 0.6252 0.0044 0.0318 -0.0176 517 DGD C O6D +53047 O O6D B DGD CD . ? 0.6752 0.6286 0.6252 0.0044 0.0319 -0.0176 517 DGD C O6D +53048 C C1E A DGD CD . ? 0.7133 0.6605 0.6511 0.0035 0.0434 -0.0197 517 DGD C C1E +53049 C C1E B DGD CD . ? 0.7174 0.6647 0.6553 0.0038 0.0434 -0.0198 517 DGD C C1E +53050 C C2E A DGD CD . ? 0.7059 0.6466 0.6361 0.0014 0.0439 -0.0186 517 DGD C C2E +53051 C C2E B DGD CD . ? 0.7062 0.6471 0.6367 0.0016 0.0438 -0.0187 517 DGD C C2E +53052 O O2E A DGD CD . ? 0.6820 0.6226 0.6128 -0.0013 0.0418 -0.0170 517 DGD C O2E +53053 O O2E B DGD CD . ? 0.6798 0.6204 0.6108 -0.0010 0.0416 -0.0171 517 DGD C O2E +53054 C C3E A DGD CD . ? 0.6648 0.5984 0.5883 0.0032 0.0421 -0.0187 517 DGD C C3E +53055 C C3E B DGD CD . ? 0.6631 0.5967 0.5867 0.0033 0.0421 -0.0187 517 DGD C C3E +53056 O O3E A DGD CD . ? 0.6943 0.6217 0.6105 0.0015 0.0423 -0.0178 517 DGD C O3E +53057 O O3E B DGD CD . ? 0.6954 0.6232 0.6119 0.0014 0.0425 -0.0178 517 DGD C O3E +53058 C C4E A DGD CD . ? 0.6809 0.6150 0.6043 0.0063 0.0444 -0.0205 517 DGD C C4E +53059 C C4E B DGD CD . ? 0.6813 0.6152 0.6045 0.0063 0.0445 -0.0205 517 DGD C C4E +53060 O O4E A DGD CD . ? 0.6931 0.6273 0.6143 0.0054 0.0485 -0.0210 517 DGD C O4E +53061 O O4E B DGD CD . ? 0.6925 0.6272 0.6141 0.0053 0.0487 -0.0210 517 DGD C O4E +53062 C C5E A DGD CD . ? 0.7175 0.6585 0.6487 0.0084 0.0445 -0.0216 517 DGD C C5E +53063 C C5E B DGD CD . ? 0.7195 0.6601 0.6504 0.0085 0.0444 -0.0216 517 DGD C C5E +53064 O O6E A DGD CD . ? 0.7067 0.6547 0.6447 0.0065 0.0455 -0.0214 517 DGD C O6E +53065 O O6E B DGD CD . ? 0.7032 0.6509 0.6409 0.0067 0.0455 -0.0215 517 DGD C O6E +53066 C C6E A DGD CD . ? 0.7215 0.6638 0.6529 0.0111 0.0476 -0.0235 517 DGD C C6E +53067 C C6E B DGD CD . ? 0.7234 0.6651 0.6543 0.0114 0.0473 -0.0235 517 DGD C C6E +53068 O O5E A DGD CD . ? 0.7065 0.6416 0.6309 0.0130 0.0467 -0.0238 517 DGD C O5E +53069 O O5E B DGD CD . ? 0.7078 0.6421 0.6313 0.0129 0.0466 -0.0237 517 DGD C O5E +53070 C C1A A DGD DD . ? 1.0020 0.8052 0.8489 -0.0017 -0.0147 -0.0180 518 DGD C C1A +53071 C C1A B DGD DD . ? 1.0037 0.8065 0.8504 -0.0017 -0.0147 -0.0180 518 DGD C C1A +53072 C C2A A DGD DD . ? 1.0897 0.8866 0.9341 -0.0035 -0.0162 -0.0179 518 DGD C C2A +53073 C C2A B DGD DD . ? 1.0904 0.8870 0.9347 -0.0037 -0.0163 -0.0179 518 DGD C C2A +53074 C C3A A DGD DD . ? 1.1208 0.9177 0.9675 -0.0023 -0.0161 -0.0165 518 DGD C C3A +53075 C C3A B DGD DD . ? 1.1215 0.9179 0.9679 -0.0024 -0.0162 -0.0166 518 DGD C C3A +53076 C C4A A DGD DD . ? 1.1802 0.9824 1.0318 -0.0048 -0.0169 -0.0147 518 DGD C C4A +53077 C C4A B DGD DD . ? 1.1818 0.9833 1.0331 -0.0049 -0.0170 -0.0148 518 DGD C C4A +53078 C C5A A DGD DD . ? 1.3619 1.1641 1.2154 -0.0033 -0.0167 -0.0134 518 DGD C C5A +53079 C C5A B DGD DD . ? 1.3648 1.1665 1.2180 -0.0032 -0.0167 -0.0134 518 DGD C C5A +53080 C C6A A DGD DD . ? 1.4421 1.2467 1.2968 0.0009 -0.0152 -0.0136 518 DGD C C6A +53081 C C6A B DGD DD . ? 1.4434 1.2482 1.2982 0.0010 -0.0152 -0.0136 518 DGD C C6A +53082 C C7A A DGD DD . ? 1.5252 1.3298 1.3816 0.0028 -0.0153 -0.0123 518 DGD C C7A +53083 C C7A B DGD DD . ? 1.5262 1.3311 1.3827 0.0030 -0.0152 -0.0124 518 DGD C C7A +53084 C C8A A DGD DD . ? 1.5066 1.3165 1.3676 0.0006 -0.0159 -0.0105 518 DGD C C8A +53085 C C8A B DGD DD . ? 1.5074 1.3172 1.3683 0.0007 -0.0159 -0.0106 518 DGD C C8A +53086 C C9A A DGD DD . ? 1.5654 1.3747 1.4275 0.0025 -0.0160 -0.0093 518 DGD C C9A +53087 C C9A B DGD DD . ? 1.5660 1.3749 1.4279 0.0026 -0.0160 -0.0094 518 DGD C C9A +53088 C CAA A DGD DD . ? 1.6098 1.4198 1.4737 -0.0006 -0.0171 -0.0077 518 DGD C CAA +53089 C CAA B DGD DD . ? 1.6116 1.4214 1.4754 -0.0005 -0.0171 -0.0077 518 DGD C CAA +53090 C CBA A DGD DD . ? 1.6136 1.4187 1.4745 -0.0042 -0.0180 -0.0081 518 DGD C CBA +53091 C CBA B DGD DD . ? 1.6154 1.4202 1.4761 -0.0042 -0.0180 -0.0081 518 DGD C CBA +53092 C CCA A DGD DD . ? 1.5580 1.3623 1.4198 -0.0069 -0.0188 -0.0065 518 DGD C CCA +53093 C CCA B DGD DD . ? 1.5581 1.3625 1.4200 -0.0069 -0.0188 -0.0065 518 DGD C CCA +53094 C CDA A DGD DD . ? 1.5870 1.3853 1.4454 -0.0103 -0.0196 -0.0070 518 DGD C CDA +53095 C CDA B DGD DD . ? 1.5879 1.3864 1.4465 -0.0103 -0.0196 -0.0070 518 DGD C CDA +53096 C CEA A DGD DD . ? 1.5469 1.3480 1.4061 -0.0130 -0.0200 -0.0080 518 DGD C CEA +53097 C CEA B DGD DD . ? 1.5483 1.3495 1.4076 -0.0129 -0.0200 -0.0080 518 DGD C CEA +53098 C CFA A DGD DD . ? 1.3623 1.1716 1.2269 -0.0144 -0.0201 -0.0069 518 DGD C CFA +53099 C CFA B DGD DD . ? 1.3614 1.1708 1.2260 -0.0144 -0.0201 -0.0069 518 DGD C CFA +53100 C CGA A DGD DD . ? 1.3987 1.2131 1.2649 -0.0131 -0.0195 -0.0077 518 DGD C CGA +53101 C CGA B DGD DD . ? 1.3996 1.2141 1.2659 -0.0130 -0.0195 -0.0077 518 DGD C CGA +53102 O O1A A DGD DD . ? 0.9166 0.7246 0.7673 0.0003 -0.0136 -0.0171 518 DGD C O1A +53103 O O1A B DGD DD . ? 0.9211 0.7285 0.7715 0.0003 -0.0136 -0.0171 518 DGD C O1A +53104 C C1B A DGD DD . ? 0.9610 0.7686 0.8072 0.0087 -0.0088 -0.0205 518 DGD C C1B +53105 C C1B B DGD DD . ? 0.9620 0.7696 0.8082 0.0087 -0.0088 -0.0205 518 DGD C C1B +53106 C C2B A DGD DD . ? 0.9357 0.7415 0.7824 0.0118 -0.0084 -0.0203 518 DGD C C2B +53107 C C2B B DGD DD . ? 0.9356 0.7418 0.7824 0.0120 -0.0082 -0.0204 518 DGD C C2B +53108 C C3B A DGD DD . ? 0.9109 0.7238 0.7639 0.0121 -0.0082 -0.0187 518 DGD C C3B +53109 C C3B B DGD DD . ? 0.9092 0.7225 0.7624 0.0123 -0.0080 -0.0188 518 DGD C C3B +53110 C C4B A DGD DD . ? 1.1508 0.9628 1.0048 0.0155 -0.0079 -0.0186 518 DGD C C4B +53111 C C4B B DGD DD . ? 1.1538 0.9657 1.0077 0.0155 -0.0078 -0.0186 518 DGD C C4B +53112 C C5B A DGD DD . ? 1.0718 0.8913 0.9320 0.0162 -0.0075 -0.0172 518 DGD C C5B +53113 C C5B B DGD DD . ? 1.0728 0.8921 0.9329 0.0162 -0.0076 -0.0172 518 DGD C C5B +53114 C C6B A DGD DD . ? 1.0109 0.8373 0.8744 0.0168 -0.0057 -0.0175 518 DGD C C6B +53115 C C6B B DGD DD . ? 1.0117 0.8381 0.8753 0.0169 -0.0057 -0.0175 518 DGD C C6B +53116 C C7B A DGD DD . ? 1.0158 0.8496 0.8856 0.0170 -0.0056 -0.0162 518 DGD C C7B +53117 C C7B B DGD DD . ? 1.0160 0.8497 0.8859 0.0171 -0.0057 -0.0161 518 DGD C C7B +53118 C C8B A DGD DD . ? 1.0043 0.8445 0.8773 0.0149 -0.0048 -0.0158 518 DGD C C8B +53119 C C8B B DGD DD . ? 1.0048 0.8449 0.8780 0.0150 -0.0049 -0.0157 518 DGD C C8B +53120 C C9B A DGD DD . ? 1.0565 0.9039 0.9357 0.0155 -0.0045 -0.0147 518 DGD C C9B +53121 C C9B B DGD DD . ? 1.0664 0.9136 0.9457 0.0155 -0.0047 -0.0145 518 DGD C C9B +53122 C CAB A DGD DD . ? 0.9567 0.8095 0.8390 0.0125 -0.0045 -0.0137 518 DGD C CAB +53123 C CAB B DGD DD . ? 0.9584 0.8112 0.8409 0.0127 -0.0045 -0.0137 518 DGD C CAB +53124 C CBB A DGD DD . ? 0.9028 0.7596 0.7897 0.0120 -0.0056 -0.0121 518 DGD C CBB +53125 C CBB B DGD DD . ? 0.9021 0.7591 0.7892 0.0120 -0.0056 -0.0121 518 DGD C CBB +53126 C CCB A DGD DD . ? 0.8833 0.7461 0.7739 0.0096 -0.0053 -0.0113 518 DGD C CCB +53127 C CCB B DGD DD . ? 0.8846 0.7471 0.7749 0.0093 -0.0053 -0.0112 518 DGD C CCB +53128 C CDB A DGD DD . ? 0.9071 0.7716 0.8004 0.0079 -0.0069 -0.0096 518 DGD C CDB +53129 C CDB B DGD DD . ? 0.9089 0.7733 0.8021 0.0077 -0.0069 -0.0096 518 DGD C CDB +53130 C CEB A DGD DD . ? 0.8677 0.7266 0.7574 0.0056 -0.0086 -0.0092 518 DGD C CEB +53131 C CEB B DGD DD . ? 0.8675 0.7262 0.7571 0.0056 -0.0087 -0.0091 518 DGD C CEB +53132 C CFB A DGD DD . ? 0.8879 0.7494 0.7790 0.0022 -0.0094 -0.0081 518 DGD C CFB +53133 C CFB B DGD DD . ? 0.8902 0.7513 0.7812 0.0021 -0.0095 -0.0081 518 DGD C CFB +53134 C CGB A DGD DD . ? 0.9368 0.7934 0.8254 0.0000 -0.0112 -0.0076 518 DGD C CGB +53135 C CGB B DGD DD . ? 0.9387 0.7949 0.8271 -0.0001 -0.0113 -0.0075 518 DGD C CGB +53136 O O1B A DGD DD . ? 0.9000 0.7124 0.7478 0.0090 -0.0075 -0.0206 518 DGD C O1B +53137 O O1B B DGD DD . ? 0.9010 0.7134 0.7488 0.0089 -0.0075 -0.0206 518 DGD C O1B +53138 O O1G A DGD DD . ? 0.9576 0.7608 0.8020 -0.0022 -0.0144 -0.0193 518 DGD C O1G +53139 O O1G B DGD DD . ? 0.9572 0.7603 0.8016 -0.0023 -0.0145 -0.0192 518 DGD C O1G +53140 C C1G A DGD DD . ? 0.9064 0.7151 0.7528 -0.0005 -0.0128 -0.0193 518 DGD C C1G +53141 C C1G B DGD DD . ? 0.9070 0.7155 0.7534 -0.0005 -0.0128 -0.0192 518 DGD C C1G +53142 C C2G A DGD DD . ? 0.8765 0.6818 0.7194 0.0029 -0.0111 -0.0208 518 DGD C C2G +53143 C C2G B DGD DD . ? 0.8756 0.6808 0.7185 0.0029 -0.0112 -0.0207 518 DGD C C2G +53144 O O2G A DGD DD . ? 0.9852 0.7887 0.8289 0.0052 -0.0108 -0.0204 518 DGD C O2G +53145 O O2G B DGD DD . ? 0.9868 0.7902 0.8305 0.0053 -0.0108 -0.0204 518 DGD C O2G +53146 C C3G A DGD DD . ? 0.8720 0.6700 0.7085 0.0023 -0.0119 -0.0225 518 DGD C C3G +53147 C C3G B DGD DD . ? 0.8699 0.6679 0.7065 0.0022 -0.0120 -0.0225 518 DGD C C3G +53148 O O3G A DGD DD . ? 0.9033 0.7021 0.7388 -0.0008 -0.0131 -0.0227 518 DGD C O3G +53149 O O3G B DGD DD . ? 0.9045 0.7036 0.7404 -0.0009 -0.0132 -0.0226 518 DGD C O3G +53150 C C1D A DGD DD . ? 0.8992 0.7005 0.7336 0.0002 -0.0118 -0.0234 518 DGD C C1D +53151 C C1D B DGD DD . ? 0.8995 0.7010 0.7342 0.0002 -0.0118 -0.0233 518 DGD C C1D +53152 C C2D A DGD DD . ? 0.9312 0.7303 0.7621 -0.0023 -0.0133 -0.0243 518 DGD C C2D +53153 C C2D B DGD DD . ? 0.9310 0.7305 0.7623 -0.0024 -0.0133 -0.0242 518 DGD C C2D +53154 O O2D A DGD DD . ? 1.0584 0.8498 0.8837 -0.0024 -0.0142 -0.0259 518 DGD C O2D +53155 O O2D B DGD DD . ? 1.0603 0.8522 0.8861 -0.0026 -0.0143 -0.0258 518 DGD C O2D +53156 C C3D A DGD DD . ? 0.8575 0.6597 0.6875 -0.0014 -0.0118 -0.0247 518 DGD C C3D +53157 C C3D B DGD DD . ? 0.8571 0.6594 0.6871 -0.0013 -0.0117 -0.0247 518 DGD C C3D +53158 O O3D A DGD DD . ? 0.8679 0.6685 0.6948 -0.0039 -0.0136 -0.0254 518 DGD C O3D +53159 O O3D B DGD DD . ? 0.8685 0.6694 0.6956 -0.0037 -0.0134 -0.0253 518 DGD C O3D +53160 C C4D A DGD DD . ? 0.8971 0.7071 0.7328 -0.0010 -0.0104 -0.0231 518 DGD C C4D +53161 C C4D B DGD DD . ? 0.8978 0.7079 0.7336 -0.0009 -0.0103 -0.0231 518 DGD C C4D +53162 O O4D A DGD DD . ? 0.7848 0.5985 0.6239 -0.0040 -0.0121 -0.0218 518 DGD C O4D +53163 O O4D B DGD DD . ? 0.7851 0.5987 0.6241 -0.0039 -0.0121 -0.0218 518 DGD C O4D +53164 C C5D A DGD DD . ? 0.8144 0.6262 0.6536 0.0013 -0.0091 -0.0224 518 DGD C C5D +53165 C C5D B DGD DD . ? 0.8134 0.6254 0.6528 0.0014 -0.0090 -0.0224 518 DGD C C5D +53166 O O5D A DGD DD . ? 0.7961 0.6183 0.6405 0.0023 -0.0062 -0.0213 518 DGD C O5D +53167 O O5D B DGD DD . ? 0.7976 0.6196 0.6418 0.0024 -0.0061 -0.0214 518 DGD C O5D +53168 C C6D A DGD DD . ? 0.7409 0.5605 0.5862 0.0018 -0.0078 -0.0209 518 DGD C C6D +53169 C C6D B DGD DD . ? 0.7386 0.5583 0.5839 0.0019 -0.0077 -0.0209 518 DGD C C6D +53170 O O6D A DGD DD . ? 0.8524 0.6613 0.6922 0.0002 -0.0109 -0.0219 518 DGD C O6D +53171 O O6D B DGD DD . ? 0.8521 0.6613 0.6923 0.0003 -0.0108 -0.0219 518 DGD C O6D +53172 C C1E A DGD DD . ? 0.8633 0.6859 0.7071 0.0055 -0.0036 -0.0222 518 DGD C C1E +53173 C C1E B DGD DD . ? 0.8663 0.6888 0.7099 0.0056 -0.0035 -0.0222 518 DGD C C1E +53174 C C2E A DGD DD . ? 0.8148 0.6443 0.6626 0.0060 -0.0015 -0.0214 518 DGD C C2E +53175 C C2E B DGD DD . ? 0.8163 0.6458 0.6640 0.0061 -0.0015 -0.0214 518 DGD C C2E +53176 O O2E A DGD DD . ? 0.7306 0.5653 0.5844 0.0052 -0.0020 -0.0198 518 DGD C O2E +53177 O O2E B DGD DD . ? 0.7298 0.5643 0.5835 0.0053 -0.0020 -0.0198 518 DGD C O2E +53178 C C3E A DGD DD . ? 0.7994 0.6295 0.6447 0.0042 -0.0015 -0.0215 518 DGD C C3E +53179 C C3E B DGD DD . ? 0.7989 0.6292 0.6443 0.0042 -0.0014 -0.0214 518 DGD C C3E +53180 O O3E A DGD DD . ? 0.7725 0.6080 0.6204 0.0049 0.0010 -0.0210 518 DGD C O3E +53181 O O3E B DGD DD . ? 0.7745 0.6101 0.6225 0.0051 0.0011 -0.0210 518 DGD C O3E +53182 C C4E A DGD DD . ? 0.8598 0.6836 0.6980 0.0048 -0.0014 -0.0232 518 DGD C C4E +53183 C C4E B DGD DD . ? 0.8615 0.6856 0.6999 0.0048 -0.0013 -0.0231 518 DGD C C4E +53184 O O4E A DGD DD . ? 0.7532 0.5770 0.5902 0.0078 0.0015 -0.0242 518 DGD C O4E +53185 O O4E B DGD DD . ? 0.7519 0.5761 0.5892 0.0077 0.0015 -0.0242 518 DGD C O4E +53186 C C5E A DGD DD . ? 0.8430 0.6605 0.6780 0.0044 -0.0036 -0.0240 518 DGD C C5E +53187 C C5E B DGD DD . ? 0.8436 0.6614 0.6787 0.0043 -0.0035 -0.0240 518 DGD C C5E +53188 O O6E A DGD DD . ? 0.8116 0.6287 0.6490 0.0063 -0.0032 -0.0239 518 DGD C O6E +53189 O O6E B DGD DD . ? 0.8096 0.6269 0.6470 0.0063 -0.0031 -0.0239 518 DGD C O6E +53190 C C6E A DGD DD . ? 0.8163 0.6274 0.6442 0.0049 -0.0036 -0.0259 518 DGD C C6E +53191 C C6E B DGD DD . ? 0.8154 0.6268 0.6433 0.0048 -0.0036 -0.0258 518 DGD C C6E +53192 O O5E A DGD DD . ? 0.8698 0.6797 0.6958 0.0082 -0.0010 -0.0270 518 DGD C O5E +53193 O O5E B DGD DD . ? 0.8709 0.6809 0.6971 0.0081 -0.0011 -0.0269 518 DGD C O5E +53194 C C1A . DGD ED . ? 0.9402 0.7623 0.8045 -0.0218 -0.0227 -0.0121 519 DGD C C1A +53195 C C2A . DGD ED . ? 0.9402 0.7670 0.8093 -0.0226 -0.0226 -0.0102 519 DGD C C2A +53196 C C3A . DGD ED . ? 1.0385 0.8636 0.9078 -0.0202 -0.0215 -0.0094 519 DGD C C3A +53197 C C4A . DGD ED . ? 1.0064 0.8349 0.8797 -0.0213 -0.0217 -0.0077 519 DGD C C4A +53198 C C5A . DGD ED . ? 0.8900 0.7194 0.7647 -0.0185 -0.0206 -0.0067 519 DGD C C5A +53199 C C6A . DGD ED . ? 1.0212 0.8544 0.8998 -0.0199 -0.0208 -0.0049 519 DGD C C6A +53200 C C7A . DGD ED . ? 0.9955 0.8322 0.8767 -0.0172 -0.0199 -0.0039 519 DGD C C7A +53201 C C8A . DGD ED . ? 0.9302 0.7685 0.8140 -0.0182 -0.0201 -0.0023 519 DGD C C8A +53202 C C9A . DGD ED . ? 1.0121 0.8503 0.8962 -0.0151 -0.0194 -0.0016 519 DGD C C9A +53203 C CAA . DGD ED . ? 1.1899 1.0326 1.0778 -0.0154 -0.0195 0.0000 519 DGD C CAA +53204 C CBA . DGD ED . ? 0.9394 0.7811 0.8277 -0.0186 -0.0202 0.0009 519 DGD C CBA +53205 C CCA . DGD ED . ? 1.0330 0.8765 0.9233 -0.0182 -0.0201 0.0025 519 DGD C CCA +53206 C CDA . DGD ED . ? 1.0413 0.8797 0.9294 -0.0201 -0.0205 0.0033 519 DGD C CDA +53207 C CEA . DGD ED . ? 1.0248 0.8619 0.9126 -0.0181 -0.0203 0.0045 519 DGD C CEA +53208 C CFA . DGD ED . ? 1.0390 0.8725 0.9255 -0.0203 -0.0204 0.0056 519 DGD C CFA +53209 C CGA . DGD ED . ? 1.1536 0.9821 1.0372 -0.0180 -0.0202 0.0063 519 DGD C CGA +53210 O O1A . DGD ED . ? 1.0381 0.8549 0.8993 -0.0233 -0.0236 -0.0131 519 DGD C O1A +53211 C C1B . DGD ED . ? 0.9149 0.7368 0.7737 -0.0105 -0.0171 -0.0146 519 DGD C C1B +53212 C C2B . DGD ED . ? 0.8177 0.6361 0.6751 -0.0076 -0.0161 -0.0149 519 DGD C C2B +53213 C C3B . DGD ED . ? 0.9606 0.7838 0.8212 -0.0047 -0.0143 -0.0144 519 DGD C C3B +53214 C C4B . DGD ED . ? 0.9665 0.7949 0.8323 -0.0053 -0.0145 -0.0125 519 DGD C C4B +53215 C C5B . DGD ED . ? 0.8817 0.7069 0.7474 -0.0072 -0.0160 -0.0117 519 DGD C C5B +53216 C C6B . DGD ED . ? 0.8724 0.7011 0.7422 -0.0063 -0.0158 -0.0102 519 DGD C C6B +53217 C C7B . DGD ED . ? 1.1955 1.0219 1.0656 -0.0087 -0.0172 -0.0092 519 DGD C C7B +53218 C C8B . DGD ED . ? 1.2289 1.0594 1.1031 -0.0084 -0.0172 -0.0075 519 DGD C C8B +53219 C C9B . DGD ED . ? 1.2719 1.1067 1.1487 -0.0051 -0.0159 -0.0073 519 DGD C C9B +53220 C CAB . DGD ED . ? 1.0103 0.8467 0.8898 -0.0043 -0.0161 -0.0059 519 DGD C CAB +53221 C CBB . DGD ED . ? 1.3577 1.1872 1.2338 -0.0043 -0.0169 -0.0057 519 DGD C CBB +53222 C CCB . DGD ED . ? 1.5320 1.3624 1.4100 -0.0031 -0.0171 -0.0043 519 DGD C CCB +53223 C CDB . DGD ED . ? 1.4017 1.2367 1.2825 0.0004 -0.0162 -0.0044 519 DGD C CDB +53224 C CEB . DGD ED . ? 1.4329 1.2666 1.3139 0.0025 -0.0166 -0.0034 519 DGD C CEB +53225 C CFB . DGD ED . ? 1.6464 1.4727 1.5228 0.0047 -0.0167 -0.0041 519 DGD C CFB +53226 C CGB . DGD ED . ? 1.5219 1.3494 1.3993 0.0090 -0.0163 -0.0042 519 DGD C CGB +53227 O O1B . DGD ED . ? 0.7904 0.6177 0.6516 -0.0103 -0.0164 -0.0142 519 DGD C O1B +53228 O O1G . DGD ED . ? 0.8054 0.6290 0.6686 -0.0192 -0.0215 -0.0128 519 DGD C O1G +53229 C C1G . DGD ED . ? 0.7391 0.5595 0.5981 -0.0191 -0.0218 -0.0145 519 DGD C C1G +53230 C C2G . DGD ED . ? 0.7925 0.6146 0.6508 -0.0159 -0.0200 -0.0148 519 DGD C C2G +53231 O O2G . DGD ED . ? 0.8267 0.6454 0.6838 -0.0136 -0.0190 -0.0149 519 DGD C O2G +53232 C C3G . DGD ED . ? 0.7525 0.5724 0.6066 -0.0158 -0.0201 -0.0164 519 DGD C C3G +53233 O O3G . DGD ED . ? 0.7258 0.5490 0.5813 -0.0183 -0.0215 -0.0162 519 DGD C O3G +53234 C C1D . DGD ED . ? 0.7667 0.5877 0.6181 -0.0186 -0.0221 -0.0177 519 DGD C C1D +53235 C C2D . DGD ED . ? 0.6796 0.5030 0.5325 -0.0216 -0.0242 -0.0175 519 DGD C C2D +53236 O O2D . DGD ED . ? 0.7181 0.5386 0.5712 -0.0240 -0.0257 -0.0177 519 DGD C O2D +53237 C C3D . DGD ED . ? 0.8394 0.6616 0.6883 -0.0218 -0.0249 -0.0188 519 DGD C C3D +53238 O O3D . DGD ED . ? 0.7109 0.5355 0.5613 -0.0245 -0.0271 -0.0188 519 DGD C O3D +53239 C C4D . DGD ED . ? 0.8240 0.6489 0.6725 -0.0193 -0.0229 -0.0185 519 DGD C C4D +53240 O O4D . DGD ED . ? 0.7828 0.6141 0.6363 -0.0197 -0.0225 -0.0168 519 DGD C O4D +53241 C C5D . DGD ED . ? 0.7561 0.5788 0.6035 -0.0165 -0.0207 -0.0188 519 DGD C C5D +53242 O O5D . DGD ED . ? 0.8273 0.6520 0.6709 -0.0144 -0.0188 -0.0195 519 DGD C O5D +53243 C C6D . DGD ED . ? 0.7312 0.5567 0.5785 -0.0141 -0.0184 -0.0186 519 DGD C C6D +53244 O O6D . DGD ED . ? 0.7689 0.5925 0.6200 -0.0163 -0.0203 -0.0176 519 DGD C O6D +53245 C C1E . DGD ED . ? 0.8393 0.6638 0.6804 -0.0120 -0.0165 -0.0200 519 DGD C C1E +53246 C C2E . DGD ED . ? 0.7568 0.5815 0.5947 -0.0126 -0.0171 -0.0204 519 DGD C C2E +53247 O O2E . DGD ED . ? 0.7328 0.5626 0.5745 -0.0142 -0.0179 -0.0190 519 DGD C O2E +53248 C C3E . DGD ED . ? 0.8179 0.6374 0.6511 -0.0140 -0.0195 -0.0220 519 DGD C C3E +53249 O O3E . DGD ED . ? 0.8489 0.6680 0.6782 -0.0141 -0.0200 -0.0226 519 DGD C O3E +53250 C C4E . DGD ED . ? 0.7551 0.5688 0.5843 -0.0125 -0.0188 -0.0235 519 DGD C C4E +53251 O O4E . DGD ED . ? 0.7922 0.6050 0.6181 -0.0100 -0.0164 -0.0241 519 DGD C O4E +53252 C C5E . DGD ED . ? 0.8254 0.6392 0.6581 -0.0118 -0.0180 -0.0229 519 DGD C C5E +53253 O O6E . DGD ED . ? 0.8271 0.6462 0.6643 -0.0104 -0.0159 -0.0214 519 DGD C O6E +53254 C C6E . DGD ED . ? 0.8368 0.6444 0.6651 -0.0100 -0.0172 -0.0244 519 DGD C C6E +53255 O O5E . DGD ED . ? 0.9366 0.7447 0.7684 -0.0091 -0.0165 -0.0236 519 DGD C O5E +53256 C C1 . LMG FD . ? 0.9939 0.7803 0.8121 0.0077 -0.0080 -0.0290 520 LMG C C1 +53257 O O1 . LMG FD . ? 0.9874 0.7702 0.8055 0.0092 -0.0082 -0.0290 520 LMG C O1 +53258 C C2 . LMG FD . ? 0.9136 0.7075 0.7367 0.0096 -0.0056 -0.0281 520 LMG C C2 +53259 O O2 . LMG FD . ? 0.9564 0.7549 0.7854 0.0088 -0.0063 -0.0263 520 LMG C O2 +53260 C C3 . LMG FD . ? 0.8938 0.6915 0.7166 0.0086 -0.0048 -0.0280 520 LMG C C3 +53261 O O3 . LMG FD . ? 0.8307 0.6349 0.6579 0.0105 -0.0023 -0.0274 520 LMG C O3 +53262 C C4 . LMG FD . ? 0.9005 0.6924 0.7163 0.0094 -0.0044 -0.0300 520 LMG C C4 +53263 O O4 . LMG FD . ? 0.8684 0.6584 0.6823 0.0130 -0.0021 -0.0312 520 LMG C O4 +53264 C C5 . LMG FD . ? 0.9170 0.7018 0.7283 0.0074 -0.0071 -0.0309 520 LMG C C5 +53265 O O5 . LMG FD . ? 1.2411 1.0139 1.0415 0.0059 -0.0096 -0.0338 520 LMG C O5 +53266 C C6 . LMG FD . ? 0.8607 0.6395 0.6646 0.0081 -0.0069 -0.0330 520 LMG C C6 +53267 O O6 . LMG FD . ? 0.9074 0.6888 0.7192 0.0082 -0.0077 -0.0309 520 LMG C O6 +53268 C C7 . LMG FD . ? 0.9331 0.7106 0.7491 0.0065 -0.0106 -0.0291 520 LMG C C7 +53269 C C8 . LMG FD . ? 0.9054 0.6796 0.7218 0.0084 -0.0106 -0.0287 520 LMG C C8 +53270 C C9 . LMG FD . ? 0.9027 0.6829 0.7256 0.0076 -0.0108 -0.0266 520 LMG C C9 +53271 O O7 . LMG FD . ? 1.4037 1.1706 1.2160 0.0063 -0.0125 -0.0294 520 LMG C O7 +53272 C C10 . LMG FD . ? 1.1908 0.9501 0.9973 0.0089 -0.0119 -0.0311 520 LMG C C10 +53273 O O9 . LMG FD . ? 1.2946 1.0544 1.0995 0.0118 -0.0101 -0.0321 520 LMG C O9 +53274 C C11 . LMG FD . ? 1.1261 0.8772 0.9288 0.0078 -0.0134 -0.0317 520 LMG C C11 +53275 C C12 . LMG FD . ? 1.2314 0.9835 1.0378 0.0081 -0.0137 -0.0299 520 LMG C C12 +53276 C C13 . LMG FD . ? 1.3422 1.0865 1.1452 0.0059 -0.0154 -0.0301 520 LMG C C13 +53277 C C14 . LMG FD . ? 1.4021 1.1487 1.2095 0.0043 -0.0162 -0.0280 520 LMG C C14 +53278 C C15 . LMG FD . ? 1.2907 1.0399 1.1009 0.0082 -0.0148 -0.0270 520 LMG C C15 +53279 C C16 . LMG FD . ? 1.2406 0.9886 1.0527 0.0068 -0.0157 -0.0253 520 LMG C C16 +53280 C C17 . LMG FD . ? 1.3843 1.1339 1.1985 0.0109 -0.0146 -0.0243 520 LMG C C17 +53281 C C18 . LMG FD . ? 1.3867 1.1325 1.2008 0.0099 -0.0156 -0.0229 520 LMG C C18 +53282 C C19 . LMG FD . ? 1.4507 1.2043 1.2713 0.0091 -0.0157 -0.0208 520 LMG C C19 +53283 C C20 . LMG FD . ? 1.4217 1.1733 1.2425 0.0119 -0.0155 -0.0196 520 LMG C C20 +53284 C C21 . LMG FD . ? 1.7021 1.4617 1.5292 0.0115 -0.0156 -0.0177 520 LMG C C21 +53285 C C22 . LMG FD . ? 1.7134 1.4710 1.5405 0.0145 -0.0155 -0.0166 520 LMG C C22 +53286 C C23 . LMG FD . ? 1.5201 1.2849 1.3530 0.0136 -0.0158 -0.0146 520 LMG C C23 +53287 C C24 . LMG FD . ? 1.8318 1.5956 1.6650 0.0086 -0.0169 -0.0136 520 LMG C C24 +53288 C C25 . LMG FD . ? 1.7592 1.5281 1.5969 0.0079 -0.0173 -0.0115 520 LMG C C25 +53289 O O8 . LMG FD . ? 1.0081 0.7855 0.8313 0.0096 -0.0108 -0.0262 520 LMG C O8 +53290 C C28 . LMG FD . ? 1.2418 1.0203 1.0684 0.0077 -0.0121 -0.0245 520 LMG C C28 +53291 O O10 . LMG FD . ? 1.3606 1.1406 1.1885 0.0041 -0.0135 -0.0239 520 LMG C O10 +53292 C C29 . LMG FD . ? 1.2681 1.0453 1.0960 0.0101 -0.0118 -0.0237 520 LMG C C29 +53293 C C30 . LMG FD . ? 1.0737 0.8565 0.9074 0.0084 -0.0125 -0.0216 520 LMG C C30 +53294 C C31 . LMG FD . ? 1.0968 0.8776 0.9312 0.0108 -0.0125 -0.0207 520 LMG C C31 +53295 C C32 . LMG FD . ? 0.9565 0.7448 0.7971 0.0115 -0.0122 -0.0190 520 LMG C C32 +53296 C C33 . LMG FD . ? 1.2009 0.9859 1.0415 0.0120 -0.0131 -0.0178 520 LMG C C33 +53297 C C34 . LMG FD . ? 1.3275 1.1178 1.1725 0.0150 -0.0124 -0.0168 520 LMG C C34 +53298 C C35 . LMG FD . ? 1.3703 1.1697 1.2215 0.0135 -0.0122 -0.0155 520 LMG C C35 +53299 C C36 . LMG FD . ? 1.2740 1.0777 1.1292 0.0162 -0.0120 -0.0145 520 LMG C C36 +53300 C C37 . LMG FD . ? 1.1927 1.0057 1.0535 0.0169 -0.0109 -0.0143 520 LMG C C37 +53301 C C38 . LMG FD . ? 1.1262 0.9428 0.9902 0.0207 -0.0104 -0.0139 520 LMG C C38 +53302 C C39 . LMG FD . ? 1.1700 0.9928 1.0372 0.0230 -0.0086 -0.0150 520 LMG C C39 +53303 C C40 . LMG FD . ? 1.3657 1.1963 1.2390 0.0244 -0.0083 -0.0141 520 LMG C C40 +53304 C C41 . LMG FD . ? 1.1648 1.0022 1.0417 0.0259 -0.0064 -0.0151 520 LMG C C41 +53305 C C42 . LMG FD . ? 1.5654 1.4111 1.4487 0.0262 -0.0063 -0.0141 520 LMG C C42 +53306 C C43 . LMG FD . ? 1.3408 1.1904 1.2267 0.0222 -0.0068 -0.0129 520 LMG C C43 +53307 C C1 . LMG GD . ? 1.9909 1.7727 1.7731 0.0833 0.0530 -0.0604 521 LMG C C1 +53308 O O1 . LMG GD . ? 2.1258 1.9188 1.9174 0.0847 0.0559 -0.0600 521 LMG C O1 +53309 C C2 . LMG GD . ? 2.0826 1.8628 1.8612 0.0783 0.0522 -0.0593 521 LMG C C2 +53310 O O2 . LMG GD . ? 1.6240 1.4127 1.4102 0.0749 0.0517 -0.0571 521 LMG C O2 +53311 C C3 . LMG GD . ? 1.9178 1.6878 1.6891 0.0764 0.0481 -0.0593 521 LMG C C3 +53312 O O3 . LMG GD . ? 1.6864 1.4546 1.4541 0.0718 0.0469 -0.0583 521 LMG C O3 +53313 C C4 . LMG GD . ? 2.2420 2.0025 2.0048 0.0799 0.0485 -0.0616 521 LMG C C4 +53314 O O4 . LMG GD . ? 2.3145 2.0696 2.0690 0.0787 0.0497 -0.0626 521 LMG C O4 +53315 C C5 . LMG GD . ? 2.2174 1.9804 1.9826 0.0855 0.0516 -0.0632 521 LMG C C5 +53316 O O5 . LMG GD . ? 1.7751 1.5202 1.5240 0.0894 0.0513 -0.0667 521 LMG C O5 +53317 C C6 . LMG GD . ? 2.2051 1.9612 1.9616 0.0884 0.0542 -0.0656 521 LMG C C6 +53318 O O6 . LMG GD . ? 2.1192 1.8937 1.8937 0.0867 0.0547 -0.0627 521 LMG C O6 +53319 C C7 . LMG GD . ? 2.1014 1.8966 1.8974 0.0891 0.0559 -0.0608 521 LMG C C7 +53320 C C8 . LMG GD . ? 2.1200 1.9246 1.9265 0.0885 0.0547 -0.0592 521 LMG C C8 +53321 C C9 . LMG GD . ? 1.7848 1.5879 1.5930 0.0931 0.0533 -0.0600 521 LMG C C9 +53322 O O7 . LMG GD . ? 2.4001 2.2153 2.2138 0.0885 0.0583 -0.0591 521 LMG C O7 +53323 C C10 . LMG GD . ? 2.2542 2.0776 2.0760 0.0851 0.0571 -0.0570 521 LMG C C10 +53324 O O9 . LMG GD . ? 2.1469 1.9705 1.9675 0.0807 0.0567 -0.0557 521 LMG C O9 +53325 C C11 . LMG GD . ? 1.9985 1.8304 1.8301 0.0871 0.0566 -0.0566 521 LMG C C11 +53326 C C12 . LMG GD . ? 1.4702 1.3080 1.3080 0.0829 0.0545 -0.0542 521 LMG C C12 +53327 C C13 . LMG GD . ? 1.3405 1.1720 1.1760 0.0813 0.0496 -0.0529 521 LMG C C13 +53328 C C14 . LMG GD . ? 1.1274 0.9661 0.9709 0.0787 0.0475 -0.0509 521 LMG C C14 +53329 C C15 . LMG GD . ? 1.1148 0.9590 0.9654 0.0824 0.0468 -0.0511 521 LMG C C15 +53330 C C16 . LMG GD . ? 1.0507 0.8922 0.9020 0.0810 0.0423 -0.0494 521 LMG C C16 +53331 C C17 . LMG GD . ? 1.1541 1.0015 1.0128 0.0842 0.0413 -0.0494 521 LMG C C17 +53332 C C18 . LMG GD . ? 1.1936 1.0387 1.0530 0.0821 0.0370 -0.0474 521 LMG C C18 +53333 C C19 . LMG GD . ? 1.1608 1.0114 1.0271 0.0853 0.0357 -0.0472 521 LMG C C19 +53334 C C20 . LMG GD . ? 1.0873 0.9293 0.9489 0.0877 0.0326 -0.0471 521 LMG C C20 +53335 C C21 . LMG GD . ? 0.9800 0.8219 0.8440 0.0855 0.0289 -0.0451 521 LMG C C21 +53336 C C22 . LMG GD . ? 0.9002 0.7432 0.7672 0.0901 0.0272 -0.0453 521 LMG C C22 +53337 C C23 . LMG GD . ? 0.9106 0.7475 0.7751 0.0887 0.0233 -0.0435 521 LMG C C23 +53338 C C24 . LMG GD . ? 1.0797 0.9195 0.9485 0.0931 0.0218 -0.0436 521 LMG C C24 +53339 C C25 . LMG GD . ? 0.9734 0.8083 0.8406 0.0919 0.0180 -0.0417 521 LMG C C25 +53340 O O8 . LMG GD . ? 2.0424 1.8521 1.8590 0.0926 0.0512 -0.0584 521 LMG C O8 +53341 C C28 . LMG GD . ? 1.7196 1.5262 1.5369 0.0958 0.0485 -0.0585 521 LMG C C28 +53342 O O10 . LMG GD . ? 1.8553 1.6528 1.6654 0.0981 0.0477 -0.0597 521 LMG C O10 +53343 C C29 . LMG GD . ? 1.7632 1.5773 1.5895 0.0962 0.0467 -0.0572 521 LMG C C29 +53344 C C30 . LMG GD . ? 1.3373 1.1451 1.1613 0.0995 0.0438 -0.0574 521 LMG C C30 +53345 C C31 . LMG GD . ? 1.7126 1.5282 1.5455 0.1008 0.0423 -0.0563 521 LMG C C31 +53346 C C32 . LMG GD . ? 1.5662 1.3754 1.3968 0.1040 0.0392 -0.0563 521 LMG C C32 +53347 C C33 . LMG GD . ? 1.5956 1.4131 1.4352 0.1054 0.0378 -0.0552 521 LMG C C33 +53348 C C34 . LMG GD . ? 1.5303 1.3413 1.3674 0.1089 0.0349 -0.0552 521 LMG C C34 +53349 C C35 . LMG GD . ? 1.5959 1.4157 1.4419 0.1111 0.0337 -0.0545 521 LMG C C35 +53350 C C36 . LMG GD . ? 1.4209 1.2469 1.2725 0.1060 0.0322 -0.0522 521 LMG C C36 +53351 C C37 . LMG GD . ? 1.4503 1.2878 1.3120 0.1078 0.0322 -0.0519 521 LMG C C37 +53352 C C38 . LMG GD . ? 1.4527 1.2877 1.3152 0.1097 0.0286 -0.0508 521 LMG C C38 +53353 C C39 . LMG GD . ? 1.4154 1.2619 1.2879 0.1099 0.0280 -0.0500 521 LMG C C39 +53354 C C40 . LMG GD . ? 1.5562 1.3997 1.4288 0.1110 0.0241 -0.0486 521 LMG C C40 +53355 C C41 . LMG GD . ? 1.7890 1.6303 1.6608 0.1177 0.0236 -0.0500 521 LMG C C41 +53356 C C42 . LMG GD . ? 1.9498 1.8031 1.8307 0.1215 0.0255 -0.0514 521 LMG C C42 +53357 C C43 . LMG GD . ? 1.6778 1.5286 1.5573 0.1285 0.0254 -0.0532 521 LMG C C43 +53358 C C1 . HTG HD . ? 1.8874 1.7604 1.7505 0.0854 0.0676 -0.0562 522 HTG C C1 +53359 S S1 . HTG HD . ? 1.7786 1.6527 1.6469 0.0865 0.0625 -0.0551 522 HTG C S1 +53360 C C2 . HTG HD . ? 1.6677 1.5402 1.5289 0.0797 0.0675 -0.0544 522 HTG C C2 +53361 O O2 . HTG HD . ? 1.6425 1.5055 1.4965 0.0776 0.0635 -0.0533 522 HTG C O2 +53362 C C3 . HTG HD . ? 1.6283 1.5003 1.4853 0.0789 0.0720 -0.0553 522 HTG C C3 +53363 O O3 . HTG HD . ? 1.5737 1.4455 1.4291 0.0738 0.0719 -0.0536 522 HTG C O3 +53364 C C4 . HTG HD . ? 1.6354 1.5172 1.4999 0.0813 0.0765 -0.0567 522 HTG C C4 +53365 O O4 . HTG HD . ? 1.7890 1.6700 1.6492 0.0806 0.0810 -0.0576 522 HTG C O4 +53366 C C5 . HTG HD . ? 1.7402 1.6225 1.6066 0.0870 0.0765 -0.0586 522 HTG C C5 +53367 O O5 . HTG HD . ? 1.7960 1.6779 1.6655 0.0880 0.0719 -0.0578 522 HTG C O5 +53368 C C6 . HTG HD . ? 1.6452 1.5384 1.5200 0.0892 0.0808 -0.0600 522 HTG C C6 +53369 O O6 . HTG HD . ? 1.8320 1.7252 1.7077 0.0950 0.0813 -0.0620 522 HTG C O6 +53370 C "C1'" . HTG HD . ? 1.7835 1.6518 1.6485 0.0928 0.0614 -0.0570 522 HTG C "C1'" +53371 C "C2'" . HTG HD . ? 1.6850 1.5484 1.5491 0.0929 0.0564 -0.0557 522 HTG C "C2'" +53372 C "C3'" . HTG HD . ? 1.9691 1.8236 1.8267 0.0974 0.0553 -0.0571 522 HTG C "C3'" +53373 C "C4'" . HTG HD . ? 1.9822 1.8313 1.8384 0.0977 0.0505 -0.0560 522 HTG C "C4'" +53374 C "C5'" . HTG HD . ? 1.9700 1.8271 1.8352 0.1002 0.0492 -0.0557 522 HTG C "C5'" +53375 C "C6'" . HTG HD . ? 1.8416 1.6930 1.7051 0.1002 0.0445 -0.0543 522 HTG C "C6'" +53376 C "C7'" . HTG HD . ? 1.5190 1.3786 1.3914 0.1022 0.0431 -0.0538 522 HTG C "C7'" +53377 C C1 A GOL ID . ? 0.9419 0.8065 0.7995 -0.0083 0.0050 -0.0113 523 GOL C C1 +53378 C C1 B GOL ID . ? 0.9451 0.8093 0.8022 -0.0082 0.0050 -0.0114 523 GOL C C1 +53379 O O1 A GOL ID . ? 0.8775 0.7391 0.7311 -0.0066 0.0071 -0.0127 523 GOL C O1 +53380 O O1 B GOL ID . ? 0.9047 0.7659 0.7583 -0.0065 0.0067 -0.0128 523 GOL C O1 +53381 C C2 A GOL ID . ? 1.0131 0.8741 0.8673 -0.0094 0.0015 -0.0115 523 GOL C C2 +53382 C C2 B GOL ID . ? 1.0174 0.8781 0.8711 -0.0094 0.0016 -0.0115 523 GOL C C2 +53383 O O2 A GOL ID . ? 0.9421 0.7994 0.7901 -0.0095 0.0015 -0.0119 523 GOL C O2 +53384 O O2 B GOL ID . ? 0.9365 0.7942 0.7844 -0.0095 0.0018 -0.0117 523 GOL C O2 +53385 C C3 A GOL ID . ? 0.8836 0.7481 0.7423 -0.0111 -0.0005 -0.0100 523 GOL C C3 +53386 C C3 B GOL ID . ? 0.8844 0.7489 0.7430 -0.0110 -0.0004 -0.0100 523 GOL C C3 +53387 O O3 A GOL ID . ? 0.8469 0.7088 0.7034 -0.0121 -0.0036 -0.0102 523 GOL C O3 +53388 O O3 B GOL ID . ? 0.8484 0.7103 0.7049 -0.0121 -0.0035 -0.0102 523 GOL C O3 +53389 CA CA . CA JD . ? 0.9055 0.9121 0.9190 0.1432 -0.0169 -0.0495 524 CA C CA +53390 C C A BCT KD . ? 0.8848 0.7127 0.7525 0.0147 -0.0306 0.0257 401 BCT D C +53391 C C B BCT KD . ? 0.8942 0.7205 0.7606 0.0148 -0.0306 0.0260 401 BCT D C +53392 O O1 A BCT KD . ? 0.7913 0.6270 0.6648 0.0153 -0.0313 0.0244 401 BCT D O1 +53393 O O1 B BCT KD . ? 0.7899 0.6240 0.6619 0.0157 -0.0315 0.0248 401 BCT D O1 +53394 O O2 A BCT KD . ? 0.8090 0.6326 0.6748 0.0119 -0.0290 0.0261 401 BCT D O2 +53395 O O2 B BCT KD . ? 0.8087 0.6320 0.6743 0.0118 -0.0289 0.0262 401 BCT D O2 +53396 O O3 A BCT KD . ? 0.9659 0.7894 0.8290 0.0179 -0.0319 0.0265 401 BCT D O3 +53397 O O3 B BCT KD . ? 0.9840 0.8047 0.8450 0.0175 -0.0315 0.0270 401 BCT D O3 +53398 MG MG A CLA LD . ? 0.6143 0.5178 0.5407 -0.0284 -0.0207 0.0107 402 CLA D MG +53399 MG MG B CLA LD . ? 0.6125 0.5160 0.5389 -0.0284 -0.0207 0.0107 402 CLA D MG +53400 C CHA A CLA LD . ? 0.6030 0.5039 0.5295 -0.0328 -0.0215 0.0116 402 CLA D CHA +53401 C CHA B CLA LD . ? 0.6029 0.5038 0.5294 -0.0328 -0.0215 0.0116 402 CLA D CHA +53402 C CHB A CLA LD . ? 0.5451 0.4444 0.4703 -0.0257 -0.0203 0.0121 402 CLA D CHB +53403 C CHB B CLA LD . ? 0.5421 0.4416 0.4674 -0.0257 -0.0203 0.0121 402 CLA D CHB +53404 C CHC A CLA LD . ? 0.5149 0.4200 0.4408 -0.0245 -0.0193 0.0093 402 CLA D CHC +53405 C CHC B CLA LD . ? 0.5133 0.4183 0.4392 -0.0245 -0.0193 0.0093 402 CLA D CHC +53406 C CHD A CLA LD . ? 0.5852 0.4904 0.5104 -0.0306 -0.0219 0.0090 402 CLA D CHD +53407 C CHD B CLA LD . ? 0.5859 0.4912 0.5111 -0.0306 -0.0219 0.0090 402 CLA D CHD +53408 N NA A CLA LD . ? 0.6408 0.5410 0.5664 -0.0291 -0.0208 0.0117 402 CLA D NA +53409 N NA B CLA LD . ? 0.6433 0.5436 0.5690 -0.0291 -0.0208 0.0117 402 CLA D NA +53410 C C1A A CLA LD . ? 0.5868 0.4866 0.5127 -0.0309 -0.0210 0.0121 402 CLA D C1A +53411 C C1A B CLA LD . ? 0.5852 0.4850 0.5112 -0.0309 -0.0210 0.0121 402 CLA D C1A +53412 C C2A A CLA LD . ? 0.6217 0.5194 0.5471 -0.0311 -0.0207 0.0131 402 CLA D C2A +53413 C C2A B CLA LD . ? 0.6213 0.5190 0.5466 -0.0310 -0.0207 0.0131 402 CLA D C2A +53414 C C3A A CLA LD . ? 0.6123 0.5095 0.5371 -0.0287 -0.0205 0.0133 402 CLA D C3A +53415 C C3A B CLA LD . ? 0.6119 0.5093 0.5368 -0.0286 -0.0205 0.0133 402 CLA D C3A +53416 C C4A A CLA LD . ? 0.6371 0.5360 0.5623 -0.0278 -0.0205 0.0123 402 CLA D C4A +53417 C C4A B CLA LD . ? 0.6381 0.5372 0.5634 -0.0278 -0.0205 0.0123 402 CLA D C4A +53418 C CMA A CLA LD . ? 0.6191 0.5195 0.5457 -0.0283 -0.0203 0.0142 402 CLA D CMA +53419 C CMA B CLA LD . ? 0.6203 0.5207 0.5469 -0.0282 -0.0203 0.0142 402 CLA D CMA +53420 C CAA A CLA LD . ? 0.6343 0.5272 0.5573 -0.0320 -0.0208 0.0127 402 CLA D CAA +53421 C CAA B CLA LD . ? 0.6357 0.5287 0.5587 -0.0320 -0.0208 0.0127 402 CLA D CAA +53422 C CBA A CLA LD . ? 0.7139 0.6036 0.6355 -0.0320 -0.0204 0.0137 402 CLA D CBA +53423 C CBA B CLA LD . ? 0.7149 0.6048 0.6366 -0.0322 -0.0204 0.0137 402 CLA D CBA +53424 C CGA A CLA LD . ? 0.7571 0.6415 0.6760 -0.0329 -0.0204 0.0132 402 CLA D CGA +53425 C CGA B CLA LD . ? 0.7583 0.6428 0.6772 -0.0330 -0.0204 0.0132 402 CLA D CGA +53426 O O1A A CLA LD . ? 0.7299 0.6106 0.6465 -0.0314 -0.0202 0.0134 402 CLA D O1A +53427 O O1A B CLA LD . ? 0.7318 0.6126 0.6485 -0.0315 -0.0202 0.0134 402 CLA D O1A +53428 O O2A A CLA LD . ? 0.7699 0.6534 0.6888 -0.0354 -0.0206 0.0126 402 CLA D O2A +53429 O O2A B CLA LD . ? 0.7720 0.6556 0.6909 -0.0355 -0.0206 0.0126 402 CLA D O2A +53430 N NB A CLA LD . ? 0.5633 0.4659 0.4893 -0.0256 -0.0200 0.0107 402 CLA D NB +53431 N NB B CLA LD . ? 0.5631 0.4658 0.4891 -0.0256 -0.0200 0.0107 402 CLA D NB +53432 C C1B A CLA LD . ? 0.5547 0.4557 0.4803 -0.0246 -0.0200 0.0112 402 CLA D C1B +53433 C C1B B CLA LD . ? 0.5547 0.4558 0.4804 -0.0246 -0.0200 0.0112 402 CLA D C1B +53434 C C2B A CLA LD . ? 0.5820 0.4832 0.5077 -0.0224 -0.0196 0.0108 402 CLA D C2B +53435 C C2B B CLA LD . ? 0.5823 0.4835 0.5080 -0.0224 -0.0196 0.0108 402 CLA D C2B +53436 C C3B A CLA LD . ? 0.5767 0.4798 0.5028 -0.0222 -0.0192 0.0099 402 CLA D C3B +53437 C C3B B CLA LD . ? 0.5780 0.4811 0.5041 -0.0222 -0.0192 0.0099 402 CLA D C3B +53438 C C4B A CLA LD . ? 0.5319 0.4355 0.4579 -0.0242 -0.0195 0.0100 402 CLA D C4B +53439 C C4B B CLA LD . ? 0.5306 0.4343 0.4567 -0.0242 -0.0195 0.0100 402 CLA D C4B +53440 C CMB A CLA LD . ? 0.6065 0.5063 0.5318 -0.0206 -0.0197 0.0112 402 CLA D CMB +53441 C CMB B CLA LD . ? 0.6073 0.5069 0.5325 -0.0206 -0.0197 0.0111 402 CLA D CMB +53442 C CAB A CLA LD . ? 0.5606 0.4651 0.4872 -0.0206 -0.0185 0.0092 402 CLA D CAB +53443 C CAB B CLA LD . ? 0.5619 0.4662 0.4884 -0.0205 -0.0185 0.0091 402 CLA D CAB +53444 C CBB A CLA LD . ? 0.6449 0.5518 0.5733 -0.0192 -0.0182 0.0093 402 CLA D CBB +53445 C CBB B CLA LD . ? 0.6503 0.5574 0.5788 -0.0194 -0.0182 0.0093 402 CLA D CBB +53446 N NC A CLA LD . ? 0.6111 0.5155 0.5365 -0.0278 -0.0206 0.0095 402 CLA D NC +53447 N NC B CLA LD . ? 0.6143 0.5187 0.5397 -0.0278 -0.0206 0.0095 402 CLA D NC +53448 C C1C A CLA LD . ? 0.5807 0.4859 0.5061 -0.0262 -0.0199 0.0091 402 CLA D C1C +53449 C C1C B CLA LD . ? 0.5814 0.4866 0.5067 -0.0262 -0.0199 0.0091 402 CLA D C1C +53450 C C2C A CLA LD . ? 0.5707 0.4772 0.4956 -0.0262 -0.0196 0.0085 402 CLA D C2C +53451 C C2C B CLA LD . ? 0.5721 0.4786 0.4970 -0.0262 -0.0197 0.0085 402 CLA D C2C +53452 C C3C A CLA LD . ? 0.5821 0.4886 0.5066 -0.0279 -0.0206 0.0085 402 CLA D C3C +53453 C C3C B CLA LD . ? 0.5838 0.4902 0.5083 -0.0279 -0.0206 0.0085 402 CLA D C3C +53454 C C4C A CLA LD . ? 0.5634 0.4686 0.4884 -0.0288 -0.0210 0.0090 402 CLA D C4C +53455 C C4C B CLA LD . ? 0.5629 0.4682 0.4879 -0.0288 -0.0210 0.0090 402 CLA D C4C +53456 C CMC A CLA LD . ? 0.5240 0.4317 0.4488 -0.0249 -0.0187 0.0080 402 CLA D CMC +53457 C CMC B CLA LD . ? 0.5237 0.4314 0.4485 -0.0249 -0.0187 0.0080 402 CLA D CMC +53458 C CAC A CLA LD . ? 0.5494 0.4566 0.4730 -0.0284 -0.0209 0.0079 402 CLA D CAC +53459 C CAC B CLA LD . ? 0.5489 0.4561 0.4725 -0.0285 -0.0209 0.0080 402 CLA D CAC +53460 C CBC A CLA LD . ? 0.5453 0.4557 0.4708 -0.0292 -0.0213 0.0087 402 CLA D CBC +53461 C CBC B CLA LD . ? 0.5441 0.4545 0.4696 -0.0292 -0.0213 0.0088 402 CLA D CBC +53462 N ND A CLA LD . ? 0.6517 0.5551 0.5779 -0.0310 -0.0216 0.0103 402 CLA D ND +53463 N ND B CLA LD . ? 0.6545 0.5579 0.5806 -0.0310 -0.0216 0.0103 402 CLA D ND +53464 C C1D A CLA LD . ? 0.6194 0.5237 0.5453 -0.0318 -0.0222 0.0095 402 CLA D C1D +53465 C C1D B CLA LD . ? 0.6204 0.5248 0.5463 -0.0318 -0.0222 0.0095 402 CLA D C1D +53466 C C2D A CLA LD . ? 0.6671 0.5717 0.5936 -0.0338 -0.0229 0.0094 402 CLA D C2D +53467 C C2D B CLA LD . ? 0.6693 0.5738 0.5958 -0.0338 -0.0229 0.0094 402 CLA D C2D +53468 C C3D A CLA LD . ? 0.5823 0.4856 0.5093 -0.0343 -0.0226 0.0102 402 CLA D C3D +53469 C C3D B CLA LD . ? 0.5819 0.4851 0.5088 -0.0343 -0.0225 0.0103 402 CLA D C3D +53470 C C4D A CLA LD . ? 0.5969 0.4993 0.5234 -0.0326 -0.0219 0.0107 402 CLA D C4D +53471 C C4D B CLA LD . ? 0.5964 0.4988 0.5229 -0.0325 -0.0219 0.0107 402 CLA D C4D +53472 C CMD A CLA LD . ? 0.6126 0.5182 0.5392 -0.0351 -0.0239 0.0087 402 CLA D CMD +53473 C CMD B CLA LD . ? 0.6141 0.5197 0.5407 -0.0351 -0.0239 0.0087 402 CLA D CMD +53474 C CAD A CLA LD . ? 0.6789 0.5813 0.6065 -0.0360 -0.0225 0.0108 402 CLA D CAD +53475 C CAD B CLA LD . ? 0.6817 0.5841 0.6093 -0.0360 -0.0225 0.0108 402 CLA D CAD +53476 O OBD A CLA LD . ? 0.6398 0.5430 0.5683 -0.0378 -0.0231 0.0104 402 CLA D OBD +53477 O OBD B CLA LD . ? 0.6410 0.5441 0.5695 -0.0378 -0.0231 0.0104 402 CLA D OBD +53478 C CBD A CLA LD . ? 0.6204 0.5210 0.5474 -0.0351 -0.0218 0.0117 402 CLA D CBD +53479 C CBD B CLA LD . ? 0.6200 0.5206 0.5471 -0.0350 -0.0218 0.0117 402 CLA D CBD +53480 C CGD A CLA LD . ? 0.6209 0.5242 0.5499 -0.0356 -0.0215 0.0128 402 CLA D CGD +53481 C CGD B CLA LD . ? 0.6213 0.5247 0.5504 -0.0355 -0.0215 0.0128 402 CLA D CGD +53482 O O1D A CLA LD . ? 0.6275 0.5339 0.5579 -0.0346 -0.0214 0.0132 402 CLA D O1D +53483 O O1D B CLA LD . ? 0.6290 0.5354 0.5593 -0.0345 -0.0214 0.0132 402 CLA D O1D +53484 O O2D A CLA LD . ? 0.6392 0.5417 0.5687 -0.0374 -0.0213 0.0133 402 CLA D O2D +53485 O O2D B CLA LD . ? 0.6419 0.5443 0.5713 -0.0373 -0.0212 0.0134 402 CLA D O2D +53486 C CED A CLA LD . ? 0.5412 0.4463 0.4724 -0.0379 -0.0208 0.0143 402 CLA D CED +53487 C CED B CLA LD . ? 0.5393 0.4445 0.4706 -0.0378 -0.0208 0.0143 402 CLA D CED +53488 C C1 A CLA LD . ? 0.7512 0.6296 0.6674 -0.0361 -0.0206 0.0120 402 CLA D C1 +53489 C C1 B CLA LD . ? 0.7532 0.6316 0.6694 -0.0361 -0.0206 0.0120 402 CLA D C1 +53490 C C2 A CLA LD . ? 0.6941 0.5718 0.6108 -0.0392 -0.0206 0.0119 402 CLA D C2 +53491 C C2 B CLA LD . ? 0.6938 0.5715 0.6105 -0.0392 -0.0206 0.0119 402 CLA D C2 +53492 C C3 A CLA LD . ? 0.6750 0.5516 0.5916 -0.0404 -0.0199 0.0129 402 CLA D C3 +53493 C C3 B CLA LD . ? 0.6751 0.5514 0.5916 -0.0404 -0.0199 0.0130 402 CLA D C3 +53494 C C4 A CLA LD . ? 0.7393 0.6150 0.6550 -0.0384 -0.0194 0.0142 402 CLA D C4 +53495 C C4 B CLA LD . ? 0.7406 0.6159 0.6560 -0.0384 -0.0193 0.0143 402 CLA D C4 +53496 C C5 A CLA LD . ? 0.8619 0.7381 0.7794 -0.0436 -0.0197 0.0129 402 CLA D C5 +53497 C C5 B CLA LD . ? 0.8664 0.7424 0.7838 -0.0436 -0.0197 0.0129 402 CLA D C5 +53498 C C6 A CLA LD . ? 0.7652 0.6358 0.6799 -0.0447 -0.0189 0.0135 402 CLA D C6 +53499 C C6 B CLA LD . ? 0.7650 0.6352 0.6795 -0.0448 -0.0189 0.0135 402 CLA D C6 +53500 C C7 A CLA LD . ? 0.7705 0.6352 0.6815 -0.0438 -0.0191 0.0128 402 CLA D C7 +53501 C C7 B CLA LD . ? 0.7728 0.6372 0.6837 -0.0438 -0.0191 0.0128 402 CLA D C7 +53502 C C8 A CLA LD . ? 0.7484 0.6069 0.6565 -0.0458 -0.0184 0.0130 402 CLA D C8 +53503 C C8 B CLA LD . ? 0.7484 0.6066 0.6563 -0.0457 -0.0184 0.0130 402 CLA D C8 +53504 C C9 A CLA LD . ? 0.6752 0.5307 0.5812 -0.0448 -0.0174 0.0146 402 CLA D C9 +53505 C C9 B CLA LD . ? 0.6742 0.5297 0.5803 -0.0450 -0.0174 0.0146 402 CLA D C9 +53506 C C10 A CLA LD . ? 0.7494 0.6029 0.6543 -0.0449 -0.0190 0.0119 402 CLA D C10 +53507 C C10 B CLA LD . ? 0.7519 0.6049 0.6564 -0.0446 -0.0189 0.0120 402 CLA D C10 +53508 C C11 A CLA LD . ? 0.7542 0.6005 0.6554 -0.0465 -0.0184 0.0120 402 CLA D C11 +53509 C C11 B CLA LD . ? 0.7530 0.5989 0.6540 -0.0465 -0.0184 0.0120 402 CLA D C11 +53510 C C12 A CLA LD . ? 0.8290 0.6718 0.7280 -0.0464 -0.0192 0.0104 402 CLA D C12 +53511 C C12 B CLA LD . ? 0.8282 0.6708 0.7270 -0.0463 -0.0192 0.0104 402 CLA D C12 +53512 C C13 A CLA LD . ? 0.9740 0.8089 0.8689 -0.0478 -0.0187 0.0102 402 CLA D C13 +53513 C C13 B CLA LD . ? 0.9761 0.8108 0.8707 -0.0476 -0.0187 0.0102 402 CLA D C13 +53514 C C14 A CLA LD . ? 1.1121 0.9417 1.0030 -0.0449 -0.0182 0.0112 402 CLA D C14 +53515 C C14 B CLA LD . ? 1.1180 0.9476 1.0088 -0.0446 -0.0182 0.0111 402 CLA D C14 +53516 C C15 A CLA LD . ? 0.9768 0.8098 0.8706 -0.0487 -0.0196 0.0084 402 CLA D C15 +53517 C C15 B CLA LD . ? 0.9775 0.8101 0.8710 -0.0486 -0.0196 0.0083 402 CLA D C15 +53518 C C16 A CLA LD . ? 0.9881 0.8201 0.8801 -0.0453 -0.0203 0.0075 402 CLA D C16 +53519 C C16 B CLA LD . ? 0.9875 0.8196 0.8795 -0.0452 -0.0203 0.0075 402 CLA D C16 +53520 C C17 A CLA LD . ? 0.9706 0.8011 0.8617 -0.0467 -0.0212 0.0056 402 CLA D C17 +53521 C C17 B CLA LD . ? 0.9708 0.8010 0.8616 -0.0465 -0.0212 0.0056 402 CLA D C17 +53522 C C18 A CLA LD . ? 1.0227 0.8509 0.9112 -0.0437 -0.0217 0.0045 402 CLA D C18 +53523 C C18 B CLA LD . ? 1.0228 0.8507 0.9110 -0.0435 -0.0217 0.0046 402 CLA D C18 +53524 C C19 A CLA LD . ? 0.9464 0.7811 0.8378 -0.0417 -0.0222 0.0042 402 CLA D C19 +53525 C C19 B CLA LD . ? 0.9478 0.7822 0.8388 -0.0414 -0.0221 0.0043 402 CLA D C19 +53526 C C20 A CLA LD . ? 0.9730 0.7968 0.8589 -0.0455 -0.0224 0.0028 402 CLA D C20 +53527 C C20 B CLA LD . ? 0.9732 0.7966 0.8588 -0.0451 -0.0223 0.0028 402 CLA D C20 +53528 MG MG . CLA MD . ? 0.8145 0.6821 0.7510 -0.0985 -0.0164 0.0004 403 CLA D MG +53529 C CHA . CLA MD . ? 0.6838 0.5712 0.6323 -0.0973 -0.0217 -0.0032 403 CLA D CHA +53530 C CHB . CLA MD . ? 0.7889 0.6672 0.7307 -0.0948 -0.0131 0.0044 403 CLA D CHB +53531 C CHC . CLA MD . ? 0.7779 0.6259 0.7033 -0.1016 -0.0109 0.0035 403 CLA D CHC +53532 C CHD . CLA MD . ? 0.8028 0.6599 0.7348 -0.1041 -0.0201 -0.0048 403 CLA D CHD +53533 N NA . CLA MD . ? 0.7584 0.6392 0.7026 -0.0967 -0.0171 0.0006 403 CLA D NA +53534 C C1A . CLA MD . ? 0.8012 0.6886 0.7493 -0.0960 -0.0192 -0.0008 403 CLA D C1A +53535 C C2A . CLA MD . ? 0.7968 0.6922 0.7491 -0.0939 -0.0192 0.0000 403 CLA D C2A +53536 C C3A . CLA MD . ? 0.8119 0.7041 0.7618 -0.0931 -0.0165 0.0024 403 CLA D C3A +53537 C C4A . CLA MD . ? 0.8366 0.7198 0.7816 -0.0950 -0.0154 0.0025 403 CLA D C4A +53538 C CMA . CLA MD . ? 0.6655 0.5563 0.6121 -0.0883 -0.0172 0.0035 403 CLA D CMA +53539 C CAA . CLA MD . ? 0.6465 0.5494 0.6055 -0.0971 -0.0190 -0.0010 403 CLA D CAA +53540 C CBA . CLA MD . ? 0.7974 0.6974 0.7568 -0.1013 -0.0165 -0.0007 403 CLA D CBA +53541 C CGA . CLA MD . ? 0.7736 0.6812 0.7398 -0.1045 -0.0158 -0.0015 403 CLA D CGA +53542 O O1A . CLA MD . ? 0.7980 0.7135 0.7689 -0.1035 -0.0171 -0.0023 403 CLA D O1A +53543 O O2A . CLA MD . ? 0.8062 0.7116 0.7733 -0.1090 -0.0134 -0.0015 403 CLA D O2A +53544 N NB . CLA MD . ? 0.8201 0.6843 0.7544 -0.0984 -0.0125 0.0035 403 CLA D NB +53545 C C1B . CLA MD . ? 0.8367 0.7057 0.7731 -0.0964 -0.0116 0.0050 403 CLA D C1B +53546 C C2B . CLA MD . ? 0.7708 0.6349 0.7037 -0.0961 -0.0090 0.0073 403 CLA D C2B +53547 C C3B . CLA MD . ? 0.8465 0.7014 0.7744 -0.0980 -0.0083 0.0071 403 CLA D C3B +53548 C C4B . CLA MD . ? 0.7629 0.6187 0.6922 -0.0994 -0.0107 0.0046 403 CLA D C4B +53549 C CMB . CLA MD . ? 0.7438 0.6106 0.6774 -0.0942 -0.0073 0.0093 403 CLA D CMB +53550 C CAB . CLA MD . ? 0.8359 0.6828 0.7585 -0.0983 -0.0059 0.0090 403 CLA D CAB +53551 C CBB . CLA MD . ? 1.1248 0.9655 1.0450 -0.1019 -0.0046 0.0087 403 CLA D CBB +53552 N NC . CLA MD . ? 0.9160 0.7715 0.8465 -0.1022 -0.0157 -0.0005 403 CLA D NC +53553 C C1C . CLA MD . ? 0.8153 0.6637 0.7417 -0.1031 -0.0133 0.0011 403 CLA D C1C +53554 C C2C . CLA MD . ? 0.9624 0.8022 0.8845 -0.1058 -0.0131 0.0001 403 CLA D C2C +53555 C C3C . CLA MD . ? 0.8858 0.7284 0.8099 -0.1065 -0.0159 -0.0024 403 CLA D C3C +53556 C C4C . CLA MD . ? 0.7421 0.5945 0.6714 -0.1041 -0.0172 -0.0025 403 CLA D C4C +53557 C CMC . CLA MD . ? 0.8219 0.6520 0.7384 -0.1073 -0.0108 0.0014 403 CLA D CMC +53558 C CAC . CLA MD . ? 0.7955 0.6322 0.7168 -0.1090 -0.0170 -0.0045 403 CLA D CAC +53559 C CBC . CLA MD . ? 0.8939 0.7346 0.8204 -0.1144 -0.0169 -0.0060 403 CLA D CBC +53560 N ND . CLA MD . ? 0.8152 0.6864 0.7548 -0.1005 -0.0199 -0.0031 403 CLA D ND +53561 C C1D . CLA MD . ? 0.8372 0.7040 0.7746 -0.1024 -0.0214 -0.0051 403 CLA D C1D +53562 C C2D . CLA MD . ? 0.7736 0.6460 0.7143 -0.1025 -0.0243 -0.0073 403 CLA D C2D +53563 C C3D . CLA MD . ? 0.8363 0.7173 0.7816 -0.1003 -0.0244 -0.0064 403 CLA D C3D +53564 C C4D . CLA MD . ? 0.7835 0.6631 0.7279 -0.0995 -0.0218 -0.0041 403 CLA D C4D +53565 C CMD . CLA MD . ? 0.7897 0.6606 0.7296 -0.1040 -0.0267 -0.0098 403 CLA D CMD +53566 C CAD . CLA MD . ? 0.7685 0.6587 0.7188 -0.0987 -0.0261 -0.0071 403 CLA D CAD +53567 O OBD . CLA MD . ? 0.7821 0.6756 0.7341 -0.0988 -0.0287 -0.0091 403 CLA D OBD +53568 C CBD . CLA MD . ? 0.8455 0.7396 0.7977 -0.0966 -0.0244 -0.0050 403 CLA D CBD +53569 C CGD . CLA MD . ? 0.8074 0.7019 0.7571 -0.0918 -0.0256 -0.0043 403 CLA D CGD +53570 O O1D . CLA MD . ? 0.7466 0.6356 0.6916 -0.0894 -0.0248 -0.0030 403 CLA D O1D +53571 O O2D . CLA MD . ? 0.7419 0.6435 0.6949 -0.0900 -0.0278 -0.0052 403 CLA D O2D +53572 C CED . CLA MD . ? 0.8626 0.7631 0.8125 -0.0863 -0.0294 -0.0053 403 CLA D CED +53573 C C1 . CLA MD . ? 0.8965 0.8085 0.8693 -0.1113 -0.0117 -0.0014 403 CLA D C1 +53574 C C2 . CLA MD . ? 0.8670 0.7735 0.8382 -0.1155 -0.0088 -0.0008 403 CLA D C2 +53575 C C3 . CLA MD . ? 0.9195 0.8236 0.8890 -0.1155 -0.0057 0.0013 403 CLA D C3 +53576 C C4 . CLA MD . ? 0.8913 0.7982 0.8603 -0.1113 -0.0052 0.0031 403 CLA D C4 +53577 C C5 . CLA MD . ? 0.9009 0.7990 0.8683 -0.1198 -0.0028 0.0019 403 CLA D C5 +53578 C C6 . CLA MD . ? 1.0665 0.9668 1.0355 -0.1207 0.0006 0.0036 403 CLA D C6 +53579 C C7 . CLA MD . ? 1.3591 1.2617 1.3324 -0.1262 0.0027 0.0026 403 CLA D C7 +53580 C C8 . CLA MD . ? 1.4096 1.3169 1.3861 -0.1268 0.0058 0.0040 403 CLA D C8 +53581 C C9 . CLA MD . ? 1.2425 1.1441 1.2127 -0.1234 0.0076 0.0068 403 CLA D C9 +53582 C C10 . CLA MD . ? 1.6600 1.5666 1.6388 -0.1326 0.0088 0.0036 403 CLA D C10 +53583 C C11 . CLA MD . ? 1.4770 1.3946 1.4651 -0.1355 0.0085 0.0015 403 CLA D C11 +53584 C C12 . CLA MD . ? 1.5578 1.4770 1.5487 -0.1375 0.0054 -0.0013 403 CLA D C12 +53585 C C13 . CLA MD . ? 1.7267 1.6489 1.7229 -0.1436 0.0068 -0.0031 403 CLA D C13 +53586 C C14 . CLA MD . ? 1.7482 1.6601 1.7388 -0.1473 0.0099 -0.0020 403 CLA D C14 +53587 C C15 . CLA MD . ? 1.6969 1.6226 1.6968 -0.1450 0.0031 -0.0061 403 CLA D C15 +53588 C C16 . CLA MD . ? 1.7345 1.6729 1.7439 -0.1458 0.0017 -0.0081 403 CLA D C16 +53589 C C17 . CLA MD . ? 1.6287 1.5702 1.6408 -0.1461 -0.0025 -0.0110 403 CLA D C17 +53590 C C18 . CLA MD . ? 1.7629 1.7154 1.7847 -0.1494 -0.0033 -0.0135 403 CLA D C18 +53591 C C19 . CLA MD . ? 1.5496 1.5040 1.5734 -0.1504 -0.0074 -0.0165 403 CLA D C19 +53592 C C20 . CLA MD . ? 1.5756 1.5383 1.6031 -0.1463 -0.0033 -0.0131 403 CLA D C20 +53593 C C1 . BCR ND . ? 0.9623 0.7964 0.8749 -0.0975 -0.0264 -0.0094 404 BCR D C1 +53594 C C2 . BCR ND . ? 0.9001 0.7441 0.8196 -0.0993 -0.0277 -0.0105 404 BCR D C2 +53595 C C3 . BCR ND . ? 1.0879 0.9359 1.0080 -0.0968 -0.0304 -0.0119 404 BCR D C3 +53596 C C4 . BCR ND . ? 0.8688 0.7178 0.7871 -0.0918 -0.0301 -0.0103 404 BCR D C4 +53597 C C5 . BCR ND . ? 1.0433 0.8837 0.9556 -0.0898 -0.0286 -0.0090 404 BCR D C5 +53598 C C6 . BCR ND . ? 0.9466 0.7802 0.8562 -0.0923 -0.0269 -0.0085 404 BCR D C6 +53599 C C7 . BCR ND . ? 0.7767 0.6019 0.6801 -0.0898 -0.0255 -0.0072 404 BCR D C7 +53600 C C8 . BCR ND . ? 0.7941 0.6133 0.6924 -0.0876 -0.0263 -0.0079 404 BCR D C8 +53601 C C9 . BCR ND . ? 0.8075 0.6195 0.7005 -0.0848 -0.0248 -0.0064 404 BCR D C9 +53602 C C10 . BCR ND . ? 0.7352 0.5427 0.6236 -0.0816 -0.0256 -0.0069 404 BCR D C10 +53603 C C11 . BCR ND . ? 0.7033 0.5043 0.5867 -0.0782 -0.0244 -0.0056 404 BCR D C11 +53604 C C33 . BCR ND . ? 0.7656 0.6057 0.6752 -0.0849 -0.0289 -0.0082 404 BCR D C33 +53605 C C31 . BCR ND . ? 1.0176 0.8442 0.9260 -0.0998 -0.0272 -0.0112 404 BCR D C31 +53606 C C32 . BCR ND . ? 0.8731 0.7052 0.7856 -0.0987 -0.0236 -0.0072 404 BCR D C32 +53607 C C34 . BCR ND . ? 0.7661 0.5760 0.6587 -0.0853 -0.0225 -0.0042 404 BCR D C34 +53608 C C12 . BCR ND . ? 0.7570 0.5559 0.6372 -0.0749 -0.0254 -0.0064 404 BCR D C12 +53609 C C13 . BCR ND . ? 0.7684 0.5619 0.6439 -0.0708 -0.0246 -0.0054 404 BCR D C13 +53610 C C14 . BCR ND . ? 0.7614 0.5538 0.6344 -0.0677 -0.0256 -0.0065 404 BCR D C14 +53611 C C15 . BCR ND . ? 0.8185 0.6065 0.6874 -0.0633 -0.0249 -0.0057 404 BCR D C15 +53612 C C16 . BCR ND . ? 0.7552 0.5428 0.6221 -0.0601 -0.0257 -0.0067 404 BCR D C16 +53613 C C17 . BCR ND . ? 0.8328 0.6171 0.6964 -0.0557 -0.0249 -0.0058 404 BCR D C17 +53614 C C18 . BCR ND . ? 0.7839 0.5690 0.6462 -0.0522 -0.0254 -0.0066 404 BCR D C18 +53615 C C19 . BCR ND . ? 0.8383 0.6210 0.6981 -0.0478 -0.0245 -0.0057 404 BCR D C19 +53616 C C20 . BCR ND . ? 0.8622 0.6449 0.7203 -0.0443 -0.0247 -0.0065 404 BCR D C20 +53617 C C21 . BCR ND . ? 0.9263 0.7075 0.7828 -0.0401 -0.0237 -0.0054 404 BCR D C21 +53618 C C22 . BCR ND . ? 0.9402 0.7221 0.7956 -0.0363 -0.0236 -0.0061 404 BCR D C22 +53619 C C23 . BCR ND . ? 0.9347 0.7160 0.7894 -0.0326 -0.0228 -0.0050 404 BCR D C23 +53620 C C24 . BCR ND . ? 1.3074 1.0924 1.1631 -0.0290 -0.0225 -0.0052 404 BCR D C24 +53621 C C25 . BCR ND . ? 1.3814 1.1667 1.2371 -0.0250 -0.0217 -0.0040 404 BCR D C25 +53622 C C26 . BCR ND . ? 1.3721 1.1634 1.2319 -0.0247 -0.0215 -0.0024 404 BCR D C26 +53623 C C27 . BCR ND . ? 1.5800 1.3722 1.4401 -0.0208 -0.0209 -0.0013 404 BCR D C27 +53624 C C28 . BCR ND . ? 1.5125 1.2961 1.3674 -0.0188 -0.0207 -0.0015 404 BCR D C28 +53625 C C29 . BCR ND . ? 1.2812 1.0615 1.1330 -0.0175 -0.0207 -0.0034 404 BCR D C29 +53626 C C30 . BCR ND . ? 1.4731 1.2523 1.3243 -0.0213 -0.0213 -0.0047 404 BCR D C30 +53627 C C35 . BCR ND . ? 0.7678 0.5575 0.6415 -0.0701 -0.0227 -0.0033 404 BCR D C35 +53628 C C36 . BCR ND . ? 0.6797 0.4687 0.5433 -0.0527 -0.0268 -0.0084 404 BCR D C36 +53629 C C37 . BCR ND . ? 0.7885 0.5720 0.6435 -0.0363 -0.0245 -0.0080 404 BCR D C37 +53630 C C38 . BCR ND . ? 1.4812 1.2784 1.3453 -0.0281 -0.0218 -0.0018 404 BCR D C38 +53631 C C39 . BCR ND . ? 1.3148 1.0847 1.1609 -0.0231 -0.0215 -0.0051 404 BCR D C39 +53632 C C40 . BCR ND . ? 1.3045 1.0861 1.1556 -0.0196 -0.0214 -0.0063 404 BCR D C40 +53633 C C2 A PL9 OD . ? 0.6716 0.5580 0.5830 0.0158 -0.0338 0.0160 405 PL9 D C2 +53634 C C2 B PL9 OD . ? 0.6741 0.5602 0.5852 0.0158 -0.0339 0.0161 405 PL9 D C2 +53635 C C3 A PL9 OD . ? 0.7595 0.6523 0.6750 0.0161 -0.0348 0.0154 405 PL9 D C3 +53636 C C3 B PL9 OD . ? 0.7704 0.6626 0.6853 0.0160 -0.0349 0.0156 405 PL9 D C3 +53637 C C4 A PL9 OD . ? 0.7611 0.6534 0.6747 0.0181 -0.0366 0.0159 405 PL9 D C4 +53638 C C4 B PL9 OD . ? 0.7628 0.6544 0.6758 0.0182 -0.0367 0.0161 405 PL9 D C4 +53639 C C5 A PL9 OD . ? 0.7761 0.6614 0.6837 0.0203 -0.0374 0.0170 405 PL9 D C5 +53640 C C5 B PL9 OD . ? 0.7810 0.6654 0.6879 0.0203 -0.0375 0.0172 405 PL9 D C5 +53641 C C6 A PL9 OD . ? 0.7926 0.6711 0.6961 0.0198 -0.0363 0.0177 405 PL9 D C6 +53642 C C6 B PL9 OD . ? 0.7970 0.6748 0.7000 0.0199 -0.0362 0.0178 405 PL9 D C6 +53643 C C1 A PL9 OD . ? 0.7108 0.5903 0.6166 0.0174 -0.0344 0.0171 405 PL9 D C1 +53644 C C1 B PL9 OD . ? 0.7104 0.5895 0.6159 0.0174 -0.0345 0.0172 405 PL9 D C1 +53645 C C7 A PL9 OD . ? 0.6776 0.5774 0.5988 0.0142 -0.0340 0.0142 405 PL9 D C7 +53646 C C7 B PL9 OD . ? 0.6726 0.5719 0.5932 0.0141 -0.0341 0.0145 405 PL9 D C7 +53647 C C8 A PL9 OD . ? 0.7022 0.6020 0.6237 0.0102 -0.0324 0.0149 405 PL9 D C8 +53648 C C8 B PL9 OD . ? 0.7005 0.6000 0.6216 0.0102 -0.0324 0.0151 405 PL9 D C8 +53649 C C9 A PL9 OD . ? 0.6857 0.5900 0.6101 0.0082 -0.0322 0.0149 405 PL9 D C9 +53650 C C9 B PL9 OD . ? 0.6861 0.5903 0.6103 0.0082 -0.0322 0.0150 405 PL9 D C9 +53651 C C10 A PL9 OD . ? 0.6715 0.5809 0.5989 0.0097 -0.0336 0.0141 405 PL9 D C10 +53652 C C10 B PL9 OD . ? 0.6578 0.5666 0.5846 0.0095 -0.0337 0.0144 405 PL9 D C10 +53653 C C11 A PL9 OD . ? 0.7737 0.6775 0.6979 0.0046 -0.0307 0.0156 405 PL9 D C11 +53654 C C11 B PL9 OD . ? 0.7755 0.6793 0.6998 0.0046 -0.0306 0.0156 405 PL9 D C11 +53655 C C12 A PL9 OD . ? 0.6914 0.6007 0.6203 0.0029 -0.0297 0.0145 405 PL9 D C12 +53656 C C12 B PL9 OD . ? 0.6923 0.6014 0.6212 0.0030 -0.0297 0.0145 405 PL9 D C12 +53657 C C13 A PL9 OD . ? 0.6857 0.5936 0.6139 -0.0003 -0.0282 0.0152 405 PL9 D C13 +53658 C C13 B PL9 OD . ? 0.6868 0.5946 0.6150 -0.0002 -0.0282 0.0151 405 PL9 D C13 +53659 C C14 A PL9 OD . ? 0.6507 0.5623 0.5820 -0.0021 -0.0272 0.0145 405 PL9 D C14 +53660 C C14 B PL9 OD . ? 0.6512 0.5627 0.5825 -0.0021 -0.0272 0.0145 405 PL9 D C14 +53661 C C15 A PL9 OD . ? 0.6041 0.5208 0.5395 -0.0012 -0.0273 0.0130 405 PL9 D C15 +53662 C C15 B PL9 OD . ? 0.6029 0.5196 0.5383 -0.0011 -0.0273 0.0130 405 PL9 D C15 +53663 C C16 A PL9 OD . ? 0.7317 0.6418 0.6623 -0.0050 -0.0260 0.0150 405 PL9 D C16 +53664 C C16 B PL9 OD . ? 0.7350 0.6450 0.6655 -0.0050 -0.0260 0.0150 405 PL9 D C16 +53665 C C17 A PL9 OD . ? 0.6748 0.5812 0.6022 -0.0063 -0.0259 0.0165 405 PL9 D C17 +53666 C C17 B PL9 OD . ? 0.6761 0.5828 0.6037 -0.0063 -0.0259 0.0164 405 PL9 D C17 +53667 C C18 A PL9 OD . ? 0.6265 0.5326 0.5540 -0.0091 -0.0247 0.0167 405 PL9 D C18 +53668 C C18 B PL9 OD . ? 0.6269 0.5333 0.5546 -0.0091 -0.0247 0.0167 405 PL9 D C18 +53669 C C19 A PL9 OD . ? 0.6641 0.5730 0.5932 -0.0109 -0.0244 0.0171 405 PL9 D C19 +53670 C C19 B PL9 OD . ? 0.6654 0.5744 0.5945 -0.0110 -0.0244 0.0170 405 PL9 D C19 +53671 C C20 A PL9 OD . ? 0.5947 0.5067 0.5251 -0.0103 -0.0251 0.0172 405 PL9 D C20 +53672 C C20 B PL9 OD . ? 0.5934 0.5055 0.5239 -0.0105 -0.0251 0.0172 405 PL9 D C20 +53673 C C21 A PL9 OD . ? 0.6830 0.5919 0.6124 -0.0135 -0.0234 0.0172 405 PL9 D C21 +53674 C C21 B PL9 OD . ? 0.6840 0.5929 0.6134 -0.0135 -0.0234 0.0172 405 PL9 D C21 +53675 C C22 A PL9 OD . ? 0.5943 0.5028 0.5229 -0.0152 -0.0231 0.0183 405 PL9 D C22 +53676 C C22 B PL9 OD . ? 0.5949 0.5036 0.5236 -0.0152 -0.0231 0.0182 405 PL9 D C22 +53677 C C23 A PL9 OD . ? 0.6096 0.5181 0.5386 -0.0175 -0.0222 0.0183 405 PL9 D C23 +53678 C C23 B PL9 OD . ? 0.6098 0.5183 0.5388 -0.0175 -0.0222 0.0182 405 PL9 D C23 +53679 C C24 A PL9 OD . ? 0.5948 0.5020 0.5228 -0.0192 -0.0217 0.0191 405 PL9 D C24 +53680 C C24 B PL9 OD . ? 0.5948 0.5020 0.5228 -0.0192 -0.0217 0.0191 405 PL9 D C24 +53681 C C25 A PL9 OD . ? 0.5448 0.4508 0.4711 -0.0189 -0.0219 0.0202 405 PL9 D C25 +53682 C C25 B PL9 OD . ? 0.5446 0.4502 0.4707 -0.0188 -0.0219 0.0202 405 PL9 D C25 +53683 C C26 A PL9 OD . ? 0.6237 0.5314 0.5524 -0.0214 -0.0211 0.0189 405 PL9 D C26 +53684 C C26 B PL9 OD . ? 0.6247 0.5324 0.5535 -0.0214 -0.0211 0.0189 405 PL9 D C26 +53685 C C27 A PL9 OD . ? 0.6240 0.5353 0.5547 -0.0225 -0.0209 0.0191 405 PL9 D C27 +53686 C C27 B PL9 OD . ? 0.6248 0.5361 0.5554 -0.0225 -0.0209 0.0191 405 PL9 D C27 +53687 C C28 A PL9 OD . ? 0.6242 0.5391 0.5571 -0.0218 -0.0211 0.0183 405 PL9 D C28 +53688 C C28 B PL9 OD . ? 0.6248 0.5396 0.5576 -0.0217 -0.0212 0.0183 405 PL9 D C28 +53689 C C29 A PL9 OD . ? 0.7063 0.6238 0.6403 -0.0215 -0.0213 0.0185 405 PL9 D C29 +53690 C C29 B PL9 OD . ? 0.7070 0.6245 0.6410 -0.0215 -0.0213 0.0185 405 PL9 D C29 +53691 C C30 A PL9 OD . ? 0.6223 0.5392 0.5553 -0.0218 -0.0213 0.0195 405 PL9 D C30 +53692 C C30 B PL9 OD . ? 0.6225 0.5393 0.5554 -0.0219 -0.0213 0.0196 405 PL9 D C30 +53693 C C31 A PL9 OD . ? 0.6618 0.5828 0.5981 -0.0211 -0.0214 0.0177 405 PL9 D C31 +53694 C C31 B PL9 OD . ? 0.6616 0.5824 0.5977 -0.0209 -0.0215 0.0177 405 PL9 D C31 +53695 C C32 A PL9 OD . ? 0.7013 0.6223 0.6382 -0.0206 -0.0213 0.0167 405 PL9 D C32 +53696 C C32 B PL9 OD . ? 0.7037 0.6248 0.6406 -0.0207 -0.0213 0.0168 405 PL9 D C32 +53697 C C33 A PL9 OD . ? 0.6926 0.6170 0.6316 -0.0205 -0.0212 0.0160 405 PL9 D C33 +53698 C C33 B PL9 OD . ? 0.6948 0.6193 0.6338 -0.0206 -0.0212 0.0161 405 PL9 D C33 +53699 C C34 A PL9 OD . ? 0.7231 0.6485 0.6629 -0.0209 -0.0206 0.0153 405 PL9 D C34 +53700 C C34 B PL9 OD . ? 0.7239 0.6494 0.6637 -0.0210 -0.0207 0.0153 405 PL9 D C34 +53701 C C35 A PL9 OD . ? 0.6441 0.5676 0.5829 -0.0218 -0.0203 0.0151 405 PL9 D C35 +53702 C C35 B PL9 OD . ? 0.6462 0.5697 0.5849 -0.0217 -0.0203 0.0152 405 PL9 D C35 +53703 C C36 A PL9 OD . ? 0.7200 0.6486 0.6617 -0.0211 -0.0204 0.0148 405 PL9 D C36 +53704 C C36 B PL9 OD . ? 0.7205 0.6492 0.6622 -0.0212 -0.0204 0.0148 405 PL9 D C36 +53705 C C37 A PL9 OD . ? 0.7157 0.6460 0.6589 -0.0198 -0.0204 0.0140 405 PL9 D C37 +53706 C C37 B PL9 OD . ? 0.7150 0.6453 0.6582 -0.0199 -0.0204 0.0140 405 PL9 D C37 +53707 C C38 A PL9 OD . ? 0.8545 0.7876 0.7993 -0.0205 -0.0199 0.0135 405 PL9 D C38 +53708 C C38 B PL9 OD . ? 0.8571 0.7903 0.8020 -0.0206 -0.0199 0.0136 405 PL9 D C38 +53709 C C39 A PL9 OD . ? 0.7919 0.7274 0.7387 -0.0198 -0.0199 0.0128 405 PL9 D C39 +53710 C C39 B PL9 OD . ? 0.7921 0.7277 0.7389 -0.0199 -0.0199 0.0128 405 PL9 D C39 +53711 C C40 A PL9 OD . ? 0.9545 0.8903 0.9020 -0.0181 -0.0204 0.0123 405 PL9 D C40 +53712 C C40 B PL9 OD . ? 0.9585 0.8943 0.9061 -0.0181 -0.0204 0.0123 405 PL9 D C40 +53713 C C41 A PL9 OD . ? 0.6451 0.5831 0.5934 -0.0208 -0.0192 0.0123 405 PL9 D C41 +53714 C C41 B PL9 OD . ? 0.6439 0.5819 0.5922 -0.0208 -0.0193 0.0124 405 PL9 D C41 +53715 C C42 A PL9 OD . ? 0.7539 0.6933 0.7037 -0.0202 -0.0185 0.0113 405 PL9 D C42 +53716 C C42 B PL9 OD . ? 0.7618 0.7012 0.7115 -0.0204 -0.0184 0.0113 405 PL9 D C42 +53717 C C43 A PL9 OD . ? 0.7643 0.7070 0.7165 -0.0205 -0.0181 0.0106 405 PL9 D C43 +53718 C C43 B PL9 OD . ? 0.7644 0.7071 0.7166 -0.0205 -0.0182 0.0106 405 PL9 D C43 +53719 C C44 A PL9 OD . ? 0.7378 0.6817 0.6909 -0.0211 -0.0168 0.0098 405 PL9 D C44 +53720 C C44 B PL9 OD . ? 0.7393 0.6834 0.6926 -0.0210 -0.0169 0.0098 405 PL9 D C44 +53721 C C45 A PL9 OD . ? 0.6330 0.5748 0.5843 -0.0216 -0.0159 0.0099 405 PL9 D C45 +53722 C C45 B PL9 OD . ? 0.6335 0.5757 0.5851 -0.0215 -0.0159 0.0098 405 PL9 D C45 +53723 C C46 A PL9 OD . ? 0.7103 0.6575 0.6662 -0.0214 -0.0163 0.0089 405 PL9 D C46 +53724 C C46 B PL9 OD . ? 0.7108 0.6583 0.6670 -0.0212 -0.0166 0.0089 405 PL9 D C46 +53725 C C47 A PL9 OD . ? 0.7592 0.7074 0.7155 -0.0224 -0.0169 0.0093 405 PL9 D C47 +53726 C C47 B PL9 OD . ? 0.7600 0.7083 0.7164 -0.0224 -0.0169 0.0093 405 PL9 D C47 +53727 C C48 A PL9 OD . ? 0.6990 0.6505 0.6582 -0.0228 -0.0164 0.0083 405 PL9 D C48 +53728 C C48 B PL9 OD . ? 0.6986 0.6503 0.6580 -0.0228 -0.0164 0.0082 405 PL9 D C48 +53729 C C49 A PL9 OD . ? 0.6771 0.6295 0.6367 -0.0241 -0.0164 0.0083 405 PL9 D C49 +53730 C C49 B PL9 OD . ? 0.6770 0.6296 0.6369 -0.0241 -0.0164 0.0082 405 PL9 D C49 +53731 C C50 A PL9 OD . ? 0.7210 0.6768 0.6838 -0.0247 -0.0158 0.0071 405 PL9 D C50 +53732 C C50 B PL9 OD . ? 0.7246 0.6806 0.6876 -0.0247 -0.0159 0.0071 405 PL9 D C50 +53733 C C51 A PL9 OD . ? 0.6860 0.6361 0.6432 -0.0249 -0.0168 0.0093 405 PL9 D C51 +53734 C C51 B PL9 OD . ? 0.6870 0.6371 0.6443 -0.0249 -0.0168 0.0093 405 PL9 D C51 +53735 C C52 A PL9 OD . ? 0.7201 0.6049 0.6257 0.0227 -0.0395 0.0175 405 PL9 D C52 +53736 C C52 B PL9 OD . ? 0.7210 0.6045 0.6256 0.0231 -0.0395 0.0177 405 PL9 D C52 +53737 C C53 A PL9 OD . ? 0.6659 0.5365 0.5629 0.0218 -0.0369 0.0190 405 PL9 D C53 +53738 C C53 B PL9 OD . ? 0.6628 0.5326 0.5592 0.0219 -0.0368 0.0191 405 PL9 D C53 +53739 O O1 A PL9 OD . ? 0.7957 0.6934 0.7126 0.0180 -0.0374 0.0154 405 PL9 D O1 +53740 O O1 B PL9 OD . ? 0.8019 0.6988 0.7180 0.0183 -0.0376 0.0156 405 PL9 D O1 +53741 O O2 A PL9 OD . ? 0.7403 0.6139 0.6425 0.0169 -0.0335 0.0177 405 PL9 D O2 +53742 O O2 B PL9 OD . ? 0.7434 0.6169 0.6456 0.0168 -0.0335 0.0177 405 PL9 D O2 +53743 O O1 A LHG PD . ? 1.0184 0.9004 0.9112 0.0010 -0.0319 0.0275 406 LHG D O1 +53744 O O1 B LHG PD . ? 1.0508 0.9316 0.9428 0.0009 -0.0316 0.0277 406 LHG D O1 +53745 C C1 A LHG PD . ? 0.9629 0.8460 0.8584 0.0017 -0.0323 0.0265 406 LHG D C1 +53746 C C1 B LHG PD . ? 0.9819 0.8636 0.8764 0.0017 -0.0321 0.0268 406 LHG D C1 +53747 C C2 A LHG PD . ? 0.9519 0.8341 0.8459 0.0053 -0.0345 0.0260 406 LHG D C2 +53748 C C2 B LHG PD . ? 0.9523 0.8341 0.8460 0.0053 -0.0344 0.0261 406 LHG D C2 +53749 O O2 A LHG PD . ? 1.0868 0.9742 0.9836 0.0062 -0.0361 0.0250 406 LHG D O2 +53750 O O2 B LHG PD . ? 1.0895 0.9770 0.9867 0.0058 -0.0358 0.0250 406 LHG D O2 +53751 C C3 A LHG PD . ? 0.8708 0.7534 0.7667 0.0066 -0.0350 0.0251 406 LHG D C3 +53752 C C3 B LHG PD . ? 0.8743 0.7565 0.7700 0.0065 -0.0348 0.0252 406 LHG D C3 +53753 O O3 A LHG PD . ? 0.7339 0.6229 0.6352 0.0074 -0.0361 0.0234 406 LHG D O3 +53754 O O3 B LHG PD . ? 0.7354 0.6241 0.6367 0.0071 -0.0359 0.0235 406 LHG D O3 +53755 P P A LHG PD . ? 0.7063 0.5966 0.6098 0.0098 -0.0372 0.0222 406 LHG D P +53756 P P B LHG PD . ? 0.7006 0.5909 0.6041 0.0096 -0.0371 0.0222 406 LHG D P +53757 O O4 A LHG PD . ? 0.7934 0.6865 0.6977 0.0128 -0.0397 0.0213 406 LHG D O4 +53758 O O4 B LHG PD . ? 0.7960 0.6892 0.7004 0.0124 -0.0395 0.0214 406 LHG D O4 +53759 O O5 A LHG PD . ? 0.6625 0.5469 0.5625 0.0101 -0.0363 0.0229 406 LHG D O5 +53760 O O5 B LHG PD . ? 0.6614 0.5458 0.5614 0.0103 -0.0364 0.0229 406 LHG D O5 +53761 O O6 A LHG PD . ? 0.7608 0.6571 0.6704 0.0076 -0.0362 0.0209 406 LHG D O6 +53762 O O6 B LHG PD . ? 0.7636 0.6596 0.6731 0.0074 -0.0360 0.0210 406 LHG D O6 +53763 C C4 A LHG PD . ? 0.7670 0.6698 0.6815 0.0079 -0.0372 0.0195 406 LHG D C4 +53764 C C4 B LHG PD . ? 0.7677 0.6702 0.6822 0.0079 -0.0370 0.0195 406 LHG D C4 +53765 C C5 A LHG PD . ? 0.7140 0.6202 0.6322 0.0047 -0.0354 0.0192 406 LHG D C5 +53766 C C5 B LHG PD . ? 0.7112 0.6174 0.6295 0.0047 -0.0354 0.0191 406 LHG D C5 +53767 C C6 A LHG PD . ? 0.7624 0.6747 0.6849 0.0042 -0.0361 0.0180 406 LHG D C6 +53768 C C6 B LHG PD . ? 0.7631 0.6754 0.6856 0.0044 -0.0362 0.0180 406 LHG D C6 +53769 O O7 A LHG PD . ? 0.7947 0.7014 0.7149 0.0048 -0.0347 0.0184 406 LHG D O7 +53770 O O7 B LHG PD . ? 0.7991 0.7058 0.7194 0.0046 -0.0346 0.0184 406 LHG D O7 +53771 C C7 A LHG PD . ? 0.7157 0.6191 0.6344 0.0026 -0.0329 0.0192 406 LHG D C7 +53772 C C7 B LHG PD . ? 0.7148 0.6180 0.6334 0.0025 -0.0328 0.0193 406 LHG D C7 +53773 O O9 A LHG PD . ? 0.6985 0.5992 0.6146 0.0009 -0.0321 0.0204 406 LHG D O9 +53774 O O9 B LHG PD . ? 0.7008 0.6012 0.6168 0.0009 -0.0320 0.0205 406 LHG D O9 +53775 C C8 A LHG PD . ? 0.7030 0.6068 0.6236 0.0024 -0.0321 0.0184 406 LHG D C8 +53776 C C8 B LHG PD . ? 0.7067 0.6100 0.6270 0.0023 -0.0319 0.0185 406 LHG D C8 +53777 C C9 A LHG PD . ? 0.7078 0.6131 0.6303 -0.0007 -0.0304 0.0184 406 LHG D C9 +53778 C C9 B LHG PD . ? 0.7081 0.6131 0.6305 -0.0009 -0.0303 0.0185 406 LHG D C9 +53779 C C10 A LHG PD . ? 0.7428 0.6541 0.6696 -0.0018 -0.0304 0.0176 406 LHG D C10 +53780 C C10 B LHG PD . ? 0.7432 0.6543 0.6699 -0.0018 -0.0304 0.0176 406 LHG D C10 +53781 O O8 A LHG PD . ? 0.7379 0.6528 0.6633 0.0014 -0.0345 0.0178 406 LHG D O8 +53782 O O8 B LHG PD . ? 0.7398 0.6546 0.6651 0.0016 -0.0345 0.0178 406 LHG D O8 +53783 C C23 A LHG PD . ? 0.7720 0.6920 0.7010 0.0002 -0.0346 0.0170 406 LHG D C23 +53784 C C23 B LHG PD . ? 0.7725 0.6923 0.7014 0.0003 -0.0346 0.0170 406 LHG D C23 +53785 O O10 A LHG PD . ? 0.7938 0.7162 0.7239 0.0017 -0.0362 0.0163 406 LHG D O10 +53786 O O10 B LHG PD . ? 0.7948 0.7171 0.7247 0.0017 -0.0362 0.0163 406 LHG D O10 +53787 C C24 A LHG PD . ? 0.7444 0.6663 0.6756 -0.0028 -0.0329 0.0170 406 LHG D C24 +53788 C C24 B LHG PD . ? 0.7460 0.6677 0.6772 -0.0026 -0.0329 0.0169 406 LHG D C24 +53789 C C11 A LHG PD . ? 0.7832 0.6966 0.7126 -0.0039 -0.0290 0.0170 406 LHG D C11 +53790 C C11 B LHG PD . ? 0.7836 0.6969 0.7130 -0.0039 -0.0290 0.0170 406 LHG D C11 +53791 C C12 A LHG PD . ? 0.8175 0.7366 0.7512 -0.0043 -0.0291 0.0159 406 LHG D C12 +53792 C C12 B LHG PD . ? 0.8189 0.7380 0.7526 -0.0042 -0.0292 0.0159 406 LHG D C12 +53793 C C13 A LHG PD . ? 0.8229 0.7439 0.7591 -0.0047 -0.0282 0.0148 406 LHG D C13 +53794 C C13 B LHG PD . ? 0.8243 0.7454 0.7605 -0.0045 -0.0283 0.0148 406 LHG D C13 +53795 C C14 A LHG PD . ? 0.8181 0.7447 0.7585 -0.0048 -0.0283 0.0136 406 LHG D C14 +53796 C C14 B LHG PD . ? 0.8193 0.7460 0.7597 -0.0049 -0.0283 0.0137 406 LHG D C14 +53797 C C15 A LHG PD . ? 0.7948 0.7231 0.7371 -0.0067 -0.0268 0.0131 406 LHG D C15 +53798 C C15 B LHG PD . ? 0.7948 0.7228 0.7368 -0.0069 -0.0268 0.0132 406 LHG D C15 +53799 C C16 A LHG PD . ? 0.7557 0.6877 0.7004 -0.0084 -0.0266 0.0129 406 LHG D C16 +53800 C C16 B LHG PD . ? 0.7550 0.6871 0.6998 -0.0084 -0.0266 0.0129 406 LHG D C16 +53801 C C17 A LHG PD . ? 0.7918 0.7243 0.7371 -0.0105 -0.0252 0.0129 406 LHG D C17 +53802 C C17 B LHG PD . ? 0.7950 0.7276 0.7405 -0.0105 -0.0251 0.0128 406 LHG D C17 +53803 C C18 A LHG PD . ? 0.7041 0.6395 0.6511 -0.0122 -0.0249 0.0128 406 LHG D C18 +53804 C C18 B LHG PD . ? 0.6988 0.6339 0.6457 -0.0123 -0.0248 0.0128 406 LHG D C18 +53805 C C19 A LHG PD . ? 0.7558 0.6943 0.7056 -0.0129 -0.0239 0.0117 406 LHG D C19 +53806 C C19 B LHG PD . ? 0.7552 0.6941 0.7053 -0.0128 -0.0241 0.0116 406 LHG D C19 +53807 C C20 A LHG PD . ? 0.7631 0.7031 0.7136 -0.0149 -0.0233 0.0119 406 LHG D C20 +53808 C C20 B LHG PD . ? 0.7643 0.7046 0.7150 -0.0149 -0.0234 0.0118 406 LHG D C20 +53809 C C21 A LHG PD . ? 0.7705 0.7138 0.7238 -0.0156 -0.0224 0.0108 406 LHG D C21 +53810 C C21 B LHG PD . ? 0.7701 0.7137 0.7236 -0.0155 -0.0224 0.0107 406 LHG D C21 +53811 C C22 A LHG PD . ? 0.8144 0.7588 0.7680 -0.0174 -0.0219 0.0110 406 LHG D C22 +53812 C C22 B LHG PD . ? 0.8151 0.7599 0.7691 -0.0173 -0.0220 0.0108 406 LHG D C22 +53813 C C25 A LHG PD . ? 0.6819 0.6094 0.6180 -0.0033 -0.0330 0.0155 406 LHG D C25 +53814 C C25 B LHG PD . ? 0.6807 0.6081 0.6167 -0.0031 -0.0330 0.0155 406 LHG D C25 +53815 C C26 A LHG PD . ? 0.7079 0.6370 0.6463 -0.0018 -0.0331 0.0144 406 LHG D C26 +53816 C C26 B LHG PD . ? 0.7088 0.6379 0.6472 -0.0017 -0.0332 0.0143 406 LHG D C26 +53817 C C27 A LHG PD . ? 0.7517 0.6865 0.6950 -0.0026 -0.0329 0.0129 406 LHG D C27 +53818 C C27 B LHG PD . ? 0.7539 0.6885 0.6971 -0.0026 -0.0329 0.0129 406 LHG D C27 +53819 C C28 A LHG PD . ? 0.6985 0.6357 0.6445 -0.0008 -0.0334 0.0116 406 LHG D C28 +53820 C C28 B LHG PD . ? 0.6968 0.6341 0.6429 -0.0008 -0.0334 0.0116 406 LHG D C28 +53821 C C29 A LHG PD . ? 0.7632 0.6993 0.7095 -0.0013 -0.0318 0.0115 406 LHG D C29 +53822 C C29 B LHG PD . ? 0.7646 0.7008 0.7110 -0.0013 -0.0318 0.0114 406 LHG D C29 +53823 C C30 A LHG PD . ? 0.8545 0.7937 0.8039 0.0005 -0.0321 0.0100 406 LHG D C30 +53824 C C30 B LHG PD . ? 0.8544 0.7933 0.8036 0.0008 -0.0322 0.0101 406 LHG D C30 +53825 C C31 A LHG PD . ? 0.8118 0.7567 0.7660 -0.0006 -0.0315 0.0086 406 LHG D C31 +53826 C C31 B LHG PD . ? 0.8231 0.7679 0.7772 -0.0002 -0.0317 0.0086 406 LHG D C31 +53827 C C32 A LHG PD . ? 0.8975 0.8453 0.8546 0.0019 -0.0321 0.0072 406 LHG D C32 +53828 C C32 B LHG PD . ? 0.9004 0.8480 0.8573 0.0022 -0.0322 0.0072 406 LHG D C32 +53829 C C33 A LHG PD . ? 0.9618 0.9150 0.9237 0.0009 -0.0310 0.0058 406 LHG D C33 +53830 C C33 B LHG PD . ? 0.9639 0.9169 0.9257 0.0011 -0.0311 0.0058 406 LHG D C33 +53831 C C34 A LHG PD . ? 0.8334 0.7905 0.7987 0.0034 -0.0319 0.0042 406 LHG D C34 +53832 C C34 B LHG PD . ? 0.8314 0.7884 0.7967 0.0036 -0.0320 0.0042 406 LHG D C34 +53833 C C35 A LHG PD . ? 0.8572 0.8114 0.8207 0.0059 -0.0319 0.0042 406 LHG D C35 +53834 C C35 B LHG PD . ? 0.8568 0.8112 0.8205 0.0058 -0.0317 0.0042 406 LHG D C35 +53835 C C36 A LHG PD . ? 0.8579 0.8169 0.8258 0.0077 -0.0319 0.0024 406 LHG D C36 +53836 C C36 B LHG PD . ? 0.8576 0.8168 0.8257 0.0078 -0.0318 0.0024 406 LHG D C36 +53837 C C37 A LHG PD . ? 0.8450 0.8091 0.8164 0.0088 -0.0337 0.0013 406 LHG D C37 +53838 C C37 B LHG PD . ? 0.8436 0.8072 0.8147 0.0092 -0.0339 0.0014 406 LHG D C37 +53839 C C38 A LHG PD . ? 0.8318 0.7996 0.8066 0.0118 -0.0344 -0.0003 406 LHG D C38 +53840 C C38 B LHG PD . ? 0.8390 0.8075 0.8144 0.0115 -0.0341 -0.0004 406 LHG D C38 +53841 O O1 A LHG QD . ? 0.8612 0.6735 0.7270 0.0634 -0.0345 0.0046 407 LHG D O1 +53842 O O1 B LHG QD . ? 0.8608 0.6742 0.7274 0.0640 -0.0346 0.0044 407 LHG D O1 +53843 C C1 A LHG QD . ? 0.8479 0.6693 0.7207 0.0630 -0.0334 0.0028 407 LHG D C1 +53844 C C1 B LHG QD . ? 0.8475 0.6697 0.7209 0.0633 -0.0334 0.0027 407 LHG D C1 +53845 C C2 A LHG QD . ? 0.8342 0.6656 0.7139 0.0604 -0.0336 0.0030 407 LHG D C2 +53846 C C2 B LHG QD . ? 0.8343 0.6664 0.7145 0.0606 -0.0335 0.0028 407 LHG D C2 +53847 O O2 A LHG QD . ? 0.8221 0.6567 0.7032 0.0635 -0.0356 0.0033 407 LHG D O2 +53848 O O2 B LHG QD . ? 0.8229 0.6582 0.7045 0.0635 -0.0356 0.0032 407 LHG D O2 +53849 C C3 A LHG QD . ? 0.7728 0.6030 0.6517 0.0548 -0.0327 0.0045 407 LHG D C3 +53850 C C3 B LHG QD . ? 0.7720 0.6024 0.6510 0.0549 -0.0327 0.0044 407 LHG D C3 +53851 O O3 A LHG QD . ? 0.8291 0.6512 0.7018 0.0543 -0.0336 0.0064 407 LHG D O3 +53852 O O3 B LHG QD . ? 0.8307 0.6529 0.7035 0.0546 -0.0336 0.0063 407 LHG D O3 +53853 P P A LHG QD . ? 0.8128 0.6373 0.6861 0.0542 -0.0351 0.0078 407 LHG D P +53854 P P B LHG QD . ? 0.8133 0.6380 0.6868 0.0542 -0.0351 0.0077 407 LHG D P +53855 O O4 A LHG QD . ? 0.8605 0.6750 0.7263 0.0535 -0.0355 0.0097 407 LHG D O4 +53856 O O4 B LHG QD . ? 0.8616 0.6761 0.7274 0.0536 -0.0355 0.0097 407 LHG D O4 +53857 O O5 A LHG QD . ? 0.7925 0.6243 0.6705 0.0586 -0.0367 0.0066 407 LHG D O5 +53858 O O5 B LHG QD . ? 0.7916 0.6238 0.6698 0.0584 -0.0367 0.0066 407 LHG D O5 +53859 O O6 A LHG QD . ? 0.8188 0.6495 0.6968 0.0488 -0.0339 0.0082 407 LHG D O6 +53860 O O6 B LHG QD . ? 0.8212 0.6519 0.6993 0.0487 -0.0338 0.0081 407 LHG D O6 +53861 C C4 A LHG QD . ? 0.7886 0.6141 0.6632 0.0441 -0.0327 0.0095 407 LHG D C4 +53862 C C4 B LHG QD . ? 0.7882 0.6138 0.6630 0.0441 -0.0327 0.0095 407 LHG D C4 +53863 C C5 A LHG QD . ? 0.8651 0.6973 0.7452 0.0401 -0.0312 0.0088 407 LHG D C5 +53864 C C5 B LHG QD . ? 0.8676 0.6998 0.7476 0.0401 -0.0312 0.0088 407 LHG D C5 +53865 C C6 A LHG QD . ? 0.7499 0.5917 0.6363 0.0398 -0.0319 0.0086 407 LHG D C6 +53866 C C6 B LHG QD . ? 0.7491 0.5909 0.6355 0.0399 -0.0319 0.0086 407 LHG D C6 +53867 O O7 A LHG QD . ? 0.7926 0.6268 0.6747 0.0410 -0.0303 0.0071 407 LHG D O7 +53868 O O7 B LHG QD . ? 0.7945 0.6288 0.6767 0.0413 -0.0303 0.0070 407 LHG D O7 +53869 C C7 A LHG QD . ? 0.7648 0.5916 0.6423 0.0395 -0.0291 0.0070 407 LHG D C7 +53870 C C7 B LHG QD . ? 0.7628 0.5900 0.6406 0.0396 -0.0291 0.0069 407 LHG D C7 +53871 O O9 A LHG QD . ? 0.8070 0.6270 0.6799 0.0371 -0.0289 0.0083 407 LHG D O9 +53872 O O9 B LHG QD . ? 0.8088 0.6293 0.6821 0.0372 -0.0289 0.0082 407 LHG D O9 +53873 C C8 A LHG QD . ? 0.7235 0.5512 0.6022 0.0409 -0.0281 0.0052 407 LHG D C8 +53874 C C8 B LHG QD . ? 0.7215 0.5499 0.6007 0.0409 -0.0281 0.0050 407 LHG D C8 +53875 C C9 A LHG QD . ? 0.8363 0.6574 0.7110 0.0377 -0.0268 0.0052 407 LHG D C9 +53876 C C9 B LHG QD . ? 0.8321 0.6529 0.7065 0.0383 -0.0269 0.0051 407 LHG D C9 +53877 C C10 A LHG QD . ? 0.8975 0.7190 0.7727 0.0395 -0.0259 0.0033 407 LHG D C10 +53878 C C10 B LHG QD . ? 0.8970 0.7185 0.7722 0.0396 -0.0259 0.0032 407 LHG D C10 +53879 O O8 A LHG QD . ? 0.7333 0.5806 0.6241 0.0362 -0.0304 0.0080 407 LHG D O8 +53880 O O8 B LHG QD . ? 0.7330 0.5805 0.6239 0.0365 -0.0304 0.0079 407 LHG D O8 +53881 C C23 A LHG QD . ? 0.8576 0.7128 0.7536 0.0343 -0.0306 0.0082 407 LHG D C23 +53882 C C23 B LHG QD . ? 0.8616 0.7173 0.7580 0.0347 -0.0306 0.0080 407 LHG D C23 +53883 O O10 A LHG QD . ? 0.7693 0.6280 0.6672 0.0369 -0.0320 0.0081 407 LHG D O10 +53884 O O10 B LHG QD . ? 0.7741 0.6338 0.6727 0.0373 -0.0320 0.0078 407 LHG D O10 +53885 C C24 A LHG QD . ? 0.8011 0.6597 0.6998 0.0296 -0.0292 0.0083 407 LHG D C24 +53886 C C24 B LHG QD . ? 0.8022 0.6610 0.7011 0.0299 -0.0292 0.0082 407 LHG D C24 +53887 C C11 A LHG QD . ? 1.1042 0.9183 0.9747 0.0367 -0.0249 0.0032 407 LHG D C11 +53888 C C11 B LHG QD . ? 1.1046 0.9186 0.9751 0.0367 -0.0248 0.0032 407 LHG D C11 +53889 C C12 A LHG QD . ? 1.2813 1.0982 1.1540 0.0314 -0.0241 0.0038 407 LHG D C12 +53890 C C12 B LHG QD . ? 1.2826 1.0996 1.1554 0.0314 -0.0240 0.0038 407 LHG D C12 +53891 C C13 A LHG QD . ? 1.4753 1.2898 1.3466 0.0292 -0.0228 0.0027 407 LHG D C13 +53892 C C13 B LHG QD . ? 1.4780 1.2925 1.3494 0.0291 -0.0228 0.0027 407 LHG D C13 +53893 C C14 A LHG QD . ? 1.5367 1.3545 1.4105 0.0241 -0.0222 0.0032 407 LHG D C14 +53894 C C14 B LHG QD . ? 1.5395 1.3574 1.4133 0.0241 -0.0222 0.0032 407 LHG D C14 +53895 C C15 A LHG QD . ? 1.4324 1.2492 1.3055 0.0221 -0.0211 0.0019 407 LHG D C15 +53896 C C15 B LHG QD . ? 1.4321 1.2488 1.3051 0.0221 -0.0211 0.0019 407 LHG D C15 +53897 C C16 A LHG QD . ? 1.5297 1.3438 1.4013 0.0172 -0.0209 0.0027 407 LHG D C16 +53898 C C16 B LHG QD . ? 1.5309 1.3449 1.4025 0.0171 -0.0209 0.0028 407 LHG D C16 +53899 C C17 A LHG QD . ? 1.4997 1.3149 1.3719 0.0148 -0.0200 0.0015 407 LHG D C17 +53900 C C17 B LHG QD . ? 1.5003 1.3154 1.3725 0.0147 -0.0200 0.0015 407 LHG D C17 +53901 C C18 A LHG QD . ? 1.3484 1.1720 1.2261 0.0123 -0.0197 0.0016 407 LHG D C18 +53902 C C18 B LHG QD . ? 1.3477 1.1715 1.2254 0.0126 -0.0197 0.0016 407 LHG D C18 +53903 C C19 A LHG QD . ? 1.4195 1.2441 1.2974 0.0102 -0.0189 0.0004 407 LHG D C19 +53904 C C19 B LHG QD . ? 1.4202 1.2446 1.2980 0.0102 -0.0189 0.0004 407 LHG D C19 +53905 C C20 A LHG QD . ? 1.4114 1.2392 1.2916 0.0059 -0.0190 0.0011 407 LHG D C20 +53906 C C20 B LHG QD . ? 1.4129 1.2413 1.2934 0.0061 -0.0190 0.0012 407 LHG D C20 +53907 C C21 A LHG QD . ? 1.3998 1.2286 1.2800 0.0039 -0.0184 -0.0001 407 LHG D C21 +53908 C C21 B LHG QD . ? 1.4004 1.2296 1.2809 0.0039 -0.0184 0.0000 407 LHG D C21 +53909 C C22 A LHG QD . ? 1.3826 1.2145 1.2649 -0.0002 -0.0186 0.0006 407 LHG D C22 +53910 C C22 B LHG QD . ? 1.3842 1.2166 1.2669 -0.0001 -0.0186 0.0007 407 LHG D C22 +53911 C C25 A LHG QD . ? 0.8273 0.6946 0.7324 0.0296 -0.0286 0.0068 407 LHG D C25 +53912 C C25 B LHG QD . ? 0.8284 0.6959 0.7337 0.0297 -0.0286 0.0067 407 LHG D C25 +53913 C C26 A LHG QD . ? 0.8533 0.7239 0.7610 0.0252 -0.0272 0.0068 407 LHG D C26 +53914 C C26 B LHG QD . ? 0.8565 0.7269 0.7640 0.0252 -0.0272 0.0069 407 LHG D C26 +53915 C C27 A LHG QD . ? 0.7288 0.5941 0.6332 0.0230 -0.0259 0.0068 407 LHG D C27 +53916 C C27 B LHG QD . ? 0.7287 0.5934 0.6327 0.0231 -0.0259 0.0068 407 LHG D C27 +53917 C C28 A LHG QD . ? 0.8792 0.7448 0.7842 0.0250 -0.0251 0.0051 407 LHG D C28 +53918 C C28 B LHG QD . ? 0.8801 0.7456 0.7850 0.0249 -0.0250 0.0051 407 LHG D C28 +53919 C C29 A LHG QD . ? 0.9083 0.7664 0.8084 0.0238 -0.0243 0.0050 407 LHG D C29 +53920 C C29 B LHG QD . ? 0.9088 0.7669 0.8089 0.0239 -0.0242 0.0050 407 LHG D C29 +53921 C C30 A LHG QD . ? 0.9638 0.8197 0.8625 0.0274 -0.0240 0.0036 407 LHG D C30 +53922 C C30 B LHG QD . ? 0.9637 0.8198 0.8625 0.0277 -0.0241 0.0036 407 LHG D C30 +53923 C C31 A LHG QD . ? 1.0359 0.8824 0.9283 0.0274 -0.0239 0.0038 407 LHG D C31 +53924 C C31 B LHG QD . ? 1.0345 0.8811 0.9270 0.0277 -0.0239 0.0038 407 LHG D C31 +53925 C C32 A LHG QD . ? 1.2617 1.1072 1.1537 0.0252 -0.0225 0.0029 407 LHG D C32 +53926 C C32 B LHG QD . ? 1.2630 1.1086 1.1550 0.0253 -0.0225 0.0029 407 LHG D C32 +53927 C C33 A LHG QD . ? 1.2684 1.1191 1.1637 0.0275 -0.0216 0.0011 407 LHG D C33 +53928 C C33 B LHG QD . ? 1.2693 1.1201 1.1647 0.0274 -0.0216 0.0011 407 LHG D C33 +53929 C C34 A LHG QD . ? 1.2638 1.1124 1.1576 0.0259 -0.0203 0.0000 407 LHG D C34 +53930 C C34 B LHG QD . ? 1.2640 1.1121 1.1575 0.0258 -0.0203 0.0001 407 LHG D C34 +53931 C C35 A LHG QD . ? 1.5324 1.3754 1.4224 0.0291 -0.0200 -0.0011 407 LHG D C35 +53932 C C35 B LHG QD . ? 1.5362 1.3793 1.4263 0.0293 -0.0201 -0.0011 407 LHG D C35 +53933 C C36 A LHG QD . ? 1.4676 1.3043 1.3535 0.0318 -0.0213 -0.0004 407 LHG D C36 +53934 C C36 B LHG QD . ? 1.4692 1.3060 1.3552 0.0321 -0.0214 -0.0004 407 LHG D C36 +53935 C C37 A LHG QD . ? 1.4761 1.3061 1.3574 0.0348 -0.0211 -0.0015 407 LHG D C37 +53936 C C37 B LHG QD . ? 1.4784 1.3085 1.3598 0.0348 -0.0210 -0.0015 407 LHG D C37 +53937 C C38 A LHG QD . ? 1.3338 1.1597 1.2124 0.0388 -0.0224 -0.0010 407 LHG D C38 +53938 C C38 B LHG QD . ? 1.3343 1.1598 1.2126 0.0389 -0.0223 -0.0011 407 LHG D C38 +53939 C C23 . UNL RD . ? 1.0285 0.8470 0.9087 -0.0682 0.0088 0.0340 408 UNL D C23 +53940 C C24 . UNL RD . ? 0.9640 0.7781 0.8436 -0.0712 0.0091 0.0330 408 UNL D C24 +53941 C C25 . UNL RD . ? 1.0885 0.9107 0.9756 -0.0740 0.0086 0.0312 408 UNL D C25 +53942 C C26 . UNL RD . ? 0.9586 0.7777 0.8461 -0.0777 0.0090 0.0300 408 UNL D C26 +53943 C C27 . UNL RD . ? 0.9369 0.7644 0.8319 -0.0811 0.0093 0.0285 408 UNL D C27 +53944 C C28 . UNL RD . ? 0.8864 0.7135 0.7834 -0.0835 0.0082 0.0266 408 UNL D C28 +53945 C C29 . UNL RD . ? 0.9924 0.8277 0.8967 -0.0871 0.0086 0.0252 408 UNL D C29 +53946 C C30 . UNL RD . ? 0.9800 0.8145 0.8861 -0.0898 0.0075 0.0233 408 UNL D C30 +53947 C C31 . UNL RD . ? 1.1698 1.0122 1.0831 -0.0935 0.0078 0.0218 408 UNL D C31 +53948 C C32 . UNL RD . ? 1.0941 0.9350 1.0085 -0.0965 0.0067 0.0199 408 UNL D C32 +53949 C C33 . UNL RD . ? 1.2596 1.1094 1.1817 -0.0996 0.0065 0.0181 408 UNL D C33 +53950 C C34 . UNL RD . ? 1.3049 1.1541 1.2285 -0.1019 0.0047 0.0159 408 UNL D C34 +53951 C C35 . UNL RD . ? 1.3270 1.1863 1.2581 -0.1026 0.0029 0.0140 408 UNL D C35 +53952 C C36 . UNL RD . ? 1.6168 1.4830 1.5536 -0.1056 0.0048 0.0140 408 UNL D C36 +53953 C C37 . UNL RD . ? 1.2819 1.1582 1.2262 -0.1062 0.0029 0.0120 408 UNL D C37 +53954 C C38 . UNL RD . ? 1.3141 1.1967 1.2642 -0.1097 0.0050 0.0117 408 UNL D C38 +53955 O O10 . UNL RD . ? 1.2218 1.0353 1.0967 -0.0663 0.0095 0.0356 408 UNL D O10 +53956 C C10 . UNL SD . ? 1.1778 0.9782 1.0520 -0.0865 0.0198 0.0353 409 UNL D C10 +53957 C C11 . UNL SD . ? 1.0707 0.8781 0.9520 -0.0912 0.0213 0.0340 409 UNL D C11 +53958 C C12 . UNL SD . ? 0.9712 0.7810 0.8567 -0.0931 0.0194 0.0318 409 UNL D C12 +53959 C C13 . UNL SD . ? 0.9510 0.7680 0.8436 -0.0978 0.0209 0.0305 409 UNL D C13 +53960 C C14 . UNL SD . ? 0.9618 0.7826 0.8594 -0.0995 0.0188 0.0282 409 UNL D C14 +53961 C C15 . UNL SD . ? 1.0962 0.9241 1.0008 -0.1042 0.0202 0.0269 409 UNL D C15 +53962 C C16 . UNL SD . ? 1.0659 0.8974 0.9751 -0.1057 0.0177 0.0244 409 UNL D C16 +53963 C C17 . UNL SD . ? 1.3185 1.1568 1.2348 -0.1105 0.0188 0.0229 409 UNL D C17 +53964 C C18 . UNL SD . ? 1.5368 1.3803 1.4580 -0.1108 0.0157 0.0204 409 UNL D C18 +53965 C C19 . UNL SD . ? 1.4100 1.2603 1.3384 -0.1155 0.0163 0.0185 409 UNL D C19 +53966 C C20 . UNL SD . ? 1.6518 1.4955 1.5781 -0.1200 0.0172 0.0177 409 UNL D C20 +53967 C C21 . UNL SD . ? 1.7281 1.5788 1.6619 -0.1246 0.0172 0.0155 409 UNL D C21 +53968 C C22 . UNL SD . ? 1.4654 1.3091 1.3969 -0.1291 0.0180 0.0145 409 UNL D C22 +53969 C C23 . UNL SD . ? 1.8678 1.6713 1.7364 -0.0749 0.0177 0.0385 409 UNL D C23 +53970 C C24 . UNL SD . ? 1.4312 1.2406 1.3031 -0.0764 0.0198 0.0390 409 UNL D C24 +53971 C C25 . UNL SD . ? 1.1784 0.9958 1.0583 -0.0802 0.0204 0.0374 409 UNL D C25 +53972 C C26 . UNL SD . ? 1.0076 0.8339 0.8938 -0.0782 0.0175 0.0358 409 UNL D C26 +53973 C C27 . UNL SD . ? 1.1418 0.9771 1.0359 -0.0813 0.0183 0.0345 409 UNL D C27 +53974 C C28 . UNL SD . ? 1.0558 0.8891 0.9513 -0.0861 0.0198 0.0337 409 UNL D C28 +53975 C C29 . UNL SD . ? 0.9388 0.7815 0.8428 -0.0885 0.0192 0.0317 409 UNL D C29 +53976 C C30 . UNL SD . ? 1.0224 0.8669 0.9283 -0.0867 0.0158 0.0301 409 UNL D C30 +53977 C C31 . UNL SD . ? 1.0792 0.9264 0.9898 -0.0904 0.0153 0.0281 409 UNL D C31 +53978 C C32 . UNL SD . ? 1.0022 0.8565 0.9190 -0.0940 0.0172 0.0275 409 UNL D C32 +53979 C C33 . UNL SD . ? 0.9954 0.8572 0.9192 -0.0953 0.0151 0.0252 409 UNL D C33 +53980 C C34 . UNL SD . ? 0.9850 0.8424 0.9070 -0.0955 0.0130 0.0240 409 UNL D C34 +53981 C C35 . UNL SD . ? 1.1009 0.9655 1.0296 -0.0973 0.0112 0.0216 409 UNL D C35 +53982 C C36 . UNL SD . ? 1.2368 1.1071 1.1712 -0.1016 0.0132 0.0209 409 UNL D C36 +53983 C C37 . UNL SD . ? 1.3848 1.2631 1.3261 -0.1026 0.0109 0.0185 409 UNL D C37 +53984 C C38 . UNL SD . ? 1.3447 1.2286 1.2920 -0.1072 0.0126 0.0175 409 UNL D C38 +53985 C C4 . UNL SD . ? 1.8306 1.5986 1.6710 -0.0711 0.0200 0.0435 409 UNL D C4 +53986 C C5 . UNL SD . ? 2.0490 1.8253 1.8972 -0.0756 0.0216 0.0424 409 UNL D C5 +53987 C C6 . UNL SD . ? 1.5784 1.3651 1.4325 -0.0737 0.0205 0.0420 409 UNL D C6 +53988 C C7 . UNL SD . ? 1.7478 1.5227 1.6001 -0.0832 0.0232 0.0404 409 UNL D C7 +53989 C C8 . UNL SD . ? 1.3177 1.1011 1.1784 -0.0876 0.0242 0.0388 409 UNL D C8 +53990 C C9 . UNL SD . ? 1.5013 1.2898 1.3674 -0.0875 0.0214 0.0365 409 UNL D C9 +53991 O O10 . UNL SD . ? 1.8721 1.6793 1.7449 -0.0751 0.0157 0.0368 409 UNL D O10 +53992 O O6 . UNL SD . ? 1.5560 1.3138 1.3904 -0.0727 0.0210 0.0440 409 UNL D O6 +53993 O O7 . UNL SD . ? 2.0292 1.8076 1.8817 -0.0779 0.0205 0.0405 409 UNL D O7 +53994 O O8 . UNL SD . ? 1.8694 1.6624 1.7294 -0.0730 0.0179 0.0400 409 UNL D O8 +53995 O O9 . UNL SD . ? 1.7495 1.5145 1.5949 -0.0839 0.0246 0.0415 409 UNL D O9 +53996 C C1 . HTG TD . ? 1.4188 1.2239 1.3157 -0.1379 0.0496 0.0328 410 HTG D C1 +53997 S S1 . HTG TD . ? 1.6159 1.4341 1.5218 -0.1347 0.0452 0.0306 410 HTG D S1 +53998 C C2 . HTG TD . ? 1.5091 1.3167 1.4103 -0.1444 0.0535 0.0321 410 HTG D C2 +53999 O O2 . HTG TD . ? 1.3691 1.1873 1.2771 -0.1446 0.0550 0.0320 410 HTG D O2 +54000 C C3 . HTG TD . ? 1.7556 1.5511 1.6480 -0.1469 0.0574 0.0343 410 HTG D C3 +54001 O O3 . HTG TD . ? 1.9955 1.7926 1.8917 -0.1534 0.0611 0.0336 410 HTG D O3 +54002 C C4 . HTG TD . ? 1.8109 1.5944 1.6952 -0.1460 0.0557 0.0347 410 HTG D C4 +54003 O O4 . HTG TD . ? 1.5686 1.3401 1.4438 -0.1477 0.0593 0.0369 410 HTG D O4 +54004 C C5 . HTG TD . ? 1.7487 1.5315 1.6300 -0.1393 0.0516 0.0350 410 HTG D C5 +54005 O O5 . HTG TD . ? 1.5880 1.3825 1.4781 -0.1377 0.0483 0.0329 410 HTG D O5 +54006 C C6 . HTG TD . ? 1.3400 1.1113 1.2133 -0.1376 0.0497 0.0354 410 HTG D C6 +54007 O O6 . HTG TD . ? 1.3311 1.0944 1.1954 -0.1330 0.0499 0.0379 410 HTG D O6 +54008 C "C1'" . HTG TD . ? 1.1607 0.9755 1.0615 -0.1276 0.0411 0.0313 410 HTG D "C1'" +54009 C "C2'" . HTG TD . ? 1.3122 1.1384 1.2205 -0.1247 0.0379 0.0297 410 HTG D "C2'" +54010 C "C3'" . HTG TD . ? 1.3050 1.1312 1.2147 -0.1240 0.0341 0.0278 410 HTG D "C3'" +54011 C "C4'" . HTG TD . ? 1.3124 1.1508 1.2311 -0.1231 0.0315 0.0258 410 HTG D "C4'" +54012 C C1 . LMG UD . ? 0.7557 0.5611 0.6122 -0.0376 -0.0308 -0.0171 411 LMG D C1 +54013 O O1 . LMG UD . ? 0.8487 0.6497 0.7037 -0.0361 -0.0294 -0.0164 411 LMG D O1 +54014 C C2 . LMG UD . ? 0.8494 0.6560 0.7039 -0.0344 -0.0301 -0.0177 411 LMG D C2 +54015 O O2 . LMG UD . ? 0.8105 0.6216 0.6681 -0.0321 -0.0285 -0.0160 411 LMG D O2 +54016 C C3 . LMG UD . ? 0.7901 0.5999 0.6446 -0.0355 -0.0315 -0.0187 411 LMG D C3 +54017 O O3 . LMG UD . ? 0.7689 0.5785 0.6205 -0.0326 -0.0306 -0.0194 411 LMG D O3 +54018 C C4 . LMG UD . ? 0.8766 0.6821 0.7285 -0.0384 -0.0334 -0.0205 411 LMG D C4 +54019 O O4 . LMG UD . ? 0.8330 0.6313 0.6793 -0.0371 -0.0331 -0.0220 411 LMG D O4 +54020 C C5 . LMG UD . ? 0.7808 0.5854 0.6352 -0.0416 -0.0339 -0.0199 411 LMG D C5 +54021 O O5 . LMG UD . ? 0.8174 0.6202 0.6696 -0.0461 -0.0376 -0.0230 411 LMG D O5 +54022 C C6 . LMG UD . ? 0.8438 0.6434 0.6954 -0.0445 -0.0357 -0.0218 411 LMG D C6 +54023 O O6 . LMG UD . ? 0.7682 0.5695 0.6222 -0.0404 -0.0324 -0.0188 411 LMG D O6 +54024 C C7 . LMG UD . ? 0.8537 0.6534 0.7104 -0.0388 -0.0297 -0.0156 411 LMG D C7 +54025 C C8 . LMG UD . ? 0.7819 0.5856 0.6424 -0.0375 -0.0284 -0.0134 411 LMG D C8 +54026 C C9 . LMG UD . ? 0.9020 0.7034 0.7635 -0.0401 -0.0284 -0.0125 411 LMG D C9 +54027 O O7 . LMG UD . ? 0.8562 0.6574 0.7146 -0.0339 -0.0270 -0.0130 411 LMG D O7 +54028 C C10 . LMG UD . ? 0.8231 0.6300 0.6842 -0.0312 -0.0261 -0.0121 411 LMG D C10 +54029 O O9 . LMG UD . ? 0.7685 0.5818 0.6335 -0.0321 -0.0264 -0.0113 411 LMG D O9 +54030 C C11 . LMG UD . ? 0.9725 0.7773 0.8315 -0.0272 -0.0247 -0.0121 411 LMG D C11 +54031 C C12 . LMG UD . ? 1.0326 0.8397 0.8944 -0.0257 -0.0237 -0.0102 411 LMG D C12 +54032 C C13 . LMG UD . ? 1.0398 0.8429 0.9011 -0.0277 -0.0240 -0.0094 411 LMG D C13 +54033 C C14 . LMG UD . ? 1.1339 0.9381 0.9969 -0.0255 -0.0230 -0.0077 411 LMG D C14 +54034 C C15 . LMG UD . ? 1.1151 0.9253 0.9829 -0.0273 -0.0231 -0.0061 411 LMG D C15 +54035 C C16 . LMG UD . ? 1.1600 0.9715 1.0294 -0.0253 -0.0223 -0.0044 411 LMG D C16 +54036 C C17 . LMG UD . ? 1.2211 1.0381 1.0949 -0.0275 -0.0225 -0.0030 411 LMG D C17 +54037 C C18 . LMG UD . ? 1.2766 1.0948 1.1520 -0.0259 -0.0218 -0.0012 411 LMG D C18 +54038 C C19 . LMG UD . ? 1.1243 0.9459 1.0029 -0.0288 -0.0220 0.0000 411 LMG D C19 +54039 C C20 . LMG UD . ? 1.1689 0.9917 1.0488 -0.0274 -0.0215 0.0017 411 LMG D C20 +54040 C C21 . LMG UD . ? 1.2495 1.0727 1.1309 -0.0306 -0.0215 0.0029 411 LMG D C21 +54041 C C22 . LMG UD . ? 1.6842 1.5004 1.5620 -0.0305 -0.0211 0.0036 411 LMG D C22 +54042 C C23 . LMG UD . ? 1.8601 1.6690 1.7336 -0.0318 -0.0213 0.0024 411 LMG D C23 +54043 C C24 . LMG UD . ? 1.7327 1.5338 1.6016 -0.0301 -0.0208 0.0029 411 LMG D C24 +54044 C C25 . LMG UD . ? 1.6407 1.4344 1.5056 -0.0326 -0.0209 0.0020 411 LMG D C25 +54045 O O8 . LMG UD . ? 0.8872 0.6920 0.7516 -0.0385 -0.0272 -0.0105 411 LMG D O8 +54046 C C28 . LMG UD . ? 0.8811 0.6842 0.7465 -0.0401 -0.0268 -0.0092 411 LMG D C28 +54047 O O10 . LMG UD . ? 0.8805 0.6785 0.7438 -0.0426 -0.0272 -0.0098 411 LMG D O10 +54048 C C29 . LMG UD . ? 0.7960 0.6032 0.6648 -0.0387 -0.0257 -0.0071 411 LMG D C29 +54049 C C30 . LMG UD . ? 0.9183 0.7244 0.7884 -0.0417 -0.0256 -0.0060 411 LMG D C30 +54050 C C31 . LMG UD . ? 1.0410 0.8509 0.9141 -0.0404 -0.0246 -0.0039 411 LMG D C31 +54051 C C32 . LMG UD . ? 1.0314 0.8409 0.9060 -0.0436 -0.0244 -0.0029 411 LMG D C32 +54052 C C33 . LMG UD . ? 1.2255 1.0305 1.0980 -0.0422 -0.0233 -0.0014 411 LMG D C33 +54053 C C34 . LMG UD . ? 1.2258 1.0281 1.0983 -0.0458 -0.0229 -0.0006 411 LMG D C34 +54054 C C35 . LMG UD . ? 1.3718 1.1674 1.2406 -0.0445 -0.0219 0.0006 411 LMG D C35 +54055 C C36 . LMG UD . ? 1.4134 1.2074 1.2827 -0.0477 -0.0211 0.0018 411 LMG D C36 +54056 C C37 . LMG UD . ? 1.2724 1.0607 1.1393 -0.0515 -0.0213 0.0007 411 LMG D C37 +54057 C C38 . LMG UD . ? 1.2165 0.9960 1.0786 -0.0518 -0.0202 0.0016 411 LMG D C38 +54058 C C39 . LMG UD . ? 1.4479 1.2196 1.3044 -0.0493 -0.0204 0.0007 411 LMG D C39 +54059 C C40 . LMG UD . ? 1.6017 1.3641 1.4530 -0.0497 -0.0194 0.0016 411 LMG D C40 +54060 C C41 . LMG UD . ? 1.7890 1.5426 1.6344 -0.0487 -0.0197 0.0002 411 LMG D C41 +54061 C C42 . LMG UD . ? 1.6614 1.4053 1.5011 -0.0481 -0.0187 0.0013 411 LMG D C42 +54062 C C43 . LMG UD . ? 1.5034 1.2388 1.3372 -0.0465 -0.0190 -0.0002 411 LMG D C43 +54063 C C1 . GOL VD . ? 1.0032 0.9075 0.8962 -0.0237 -0.0290 0.0064 412 GOL D C1 +54064 O O1 . GOL VD . ? 0.8930 0.8001 0.7892 -0.0238 -0.0291 0.0073 412 GOL D O1 +54065 C C2 . GOL VD . ? 0.9275 0.8333 0.8235 -0.0248 -0.0302 0.0055 412 GOL D C2 +54066 O O2 . GOL VD . ? 0.9372 0.8430 0.8351 -0.0255 -0.0286 0.0056 412 GOL D O2 +54067 C C3 . GOL VD . ? 1.2651 1.1747 1.1653 -0.0252 -0.0319 0.0057 412 GOL D C3 +54068 O O3 . GOL VD . ? 0.7139 0.6256 0.6184 -0.0264 -0.0315 0.0058 412 GOL D O3 +54069 O O1 A LHG WD . ? 1.5693 1.2365 1.3525 -0.0366 -0.0057 0.0265 101 LHG E O1 +54070 O O1 B LHG WD . ? 1.5708 1.2379 1.3540 -0.0367 -0.0057 0.0264 101 LHG E O1 +54071 C C1 A LHG WD . ? 1.4927 1.1539 1.2718 -0.0331 -0.0069 0.0253 101 LHG E C1 +54072 C C1 B LHG WD . ? 1.4927 1.1541 1.2719 -0.0328 -0.0070 0.0253 101 LHG E C1 +54073 C C2 A LHG WD . ? 1.5954 1.2659 1.3811 -0.0317 -0.0086 0.0231 101 LHG E C2 +54074 C C2 B LHG WD . ? 1.5980 1.2684 1.3837 -0.0317 -0.0086 0.0231 101 LHG E C2 +54075 O O2 A LHG WD . ? 1.4605 1.1325 1.2493 -0.0367 -0.0081 0.0215 101 LHG E O2 +54076 O O2 B LHG WD . ? 1.4630 1.1338 1.2510 -0.0367 -0.0080 0.0215 101 LHG E O2 +54077 C C3 A LHG WD . ? 1.6389 1.3050 1.4208 -0.0261 -0.0101 0.0223 101 LHG E C3 +54078 C C3 B LHG WD . ? 1.6419 1.3082 1.4239 -0.0260 -0.0101 0.0222 101 LHG E C3 +54079 O O3 A LHG WD . ? 1.3913 1.0622 1.1772 -0.0260 -0.0111 0.0199 101 LHG E O3 +54080 O O3 B LHG WD . ? 1.3894 1.0603 1.1753 -0.0259 -0.0111 0.0199 101 LHG E O3 +54081 P P A LHG WD . ? 1.5406 1.2135 1.3266 -0.0195 -0.0129 0.0189 101 LHG E P +54082 P P B LHG WD . ? 1.5445 1.2178 1.3307 -0.0194 -0.0129 0.0189 101 LHG E P +54083 O O4 A LHG WD . ? 1.6847 1.3548 1.4670 -0.0148 -0.0133 0.0208 101 LHG E O4 +54084 O O4 B LHG WD . ? 1.6875 1.3579 1.4700 -0.0148 -0.0133 0.0207 101 LHG E O4 +54085 O O5 A LHG WD . ? 1.3947 1.0605 1.1767 -0.0188 -0.0132 0.0172 101 LHG E O5 +54086 O O5 B LHG WD . ? 1.3940 1.0609 1.1767 -0.0190 -0.0133 0.0171 101 LHG E O5 +54087 O O6 A LHG WD . ? 1.6333 1.3205 1.4288 -0.0199 -0.0137 0.0180 101 LHG E O6 +54088 O O6 B LHG WD . ? 1.6351 1.3227 1.4309 -0.0199 -0.0137 0.0180 101 LHG E O6 +54089 C C4 A LHG WD . ? 1.4365 1.1313 1.2356 -0.0151 -0.0150 0.0179 101 LHG E C4 +54090 C C4 B LHG WD . ? 1.4338 1.1289 1.2331 -0.0151 -0.0150 0.0179 101 LHG E C4 +54091 C C5 A LHG WD . ? 1.4863 1.1933 1.2939 -0.0167 -0.0154 0.0169 101 LHG E C5 +54092 C C5 B LHG WD . ? 1.4850 1.1924 1.2929 -0.0167 -0.0154 0.0169 101 LHG E C5 +54093 C C6 A LHG WD . ? 1.5225 1.2355 1.3331 -0.0116 -0.0168 0.0158 101 LHG E C6 +54094 C C6 B LHG WD . ? 1.5215 1.2351 1.3325 -0.0117 -0.0167 0.0159 101 LHG E C6 +54095 O O7 A LHG WD . ? 1.6036 1.3111 1.4130 -0.0208 -0.0151 0.0153 101 LHG E O7 +54096 O O7 B LHG WD . ? 1.6052 1.3131 1.4148 -0.0208 -0.0151 0.0154 101 LHG E O7 +54097 C C7 A LHG WD . ? 1.5046 1.2177 1.3186 -0.0259 -0.0143 0.0157 101 LHG E C7 +54098 C C7 B LHG WD . ? 1.5055 1.2183 1.3193 -0.0260 -0.0142 0.0158 101 LHG E C7 +54099 O O9 A LHG WD . ? 1.5297 1.2449 1.3447 -0.0265 -0.0137 0.0174 101 LHG E O9 +54100 O O9 B LHG WD . ? 1.5388 1.2527 1.3530 -0.0268 -0.0136 0.0175 101 LHG E O9 +54101 C C8 A LHG WD . ? 1.4079 1.1242 1.2254 -0.0302 -0.0142 0.0140 101 LHG E C8 +54102 C C8 B LHG WD . ? 1.4068 1.1233 1.2244 -0.0302 -0.0142 0.0141 101 LHG E C8 +54103 C C9 A LHG WD . ? 1.4794 1.2078 1.3046 -0.0302 -0.0149 0.0134 101 LHG E C9 +54104 C C9 B LHG WD . ? 1.4801 1.2088 1.3055 -0.0302 -0.0149 0.0135 101 LHG E C9 +54105 C C10 A LHG WD . ? 1.4406 1.1730 1.2698 -0.0352 -0.0148 0.0122 101 LHG E C10 +54106 C C10 B LHG WD . ? 1.4408 1.1737 1.2703 -0.0350 -0.0148 0.0122 101 LHG E C10 +54107 O O8 A LHG WD . ? 1.5993 1.3203 1.4141 -0.0098 -0.0172 0.0169 101 LHG E O8 +54108 O O8 B LHG WD . ? 1.6007 1.3223 1.4159 -0.0100 -0.0172 0.0169 101 LHG E O8 +54109 C C23 A LHG WD . ? 1.6359 1.3683 1.4582 -0.0095 -0.0178 0.0159 101 LHG E C23 +54110 C C23 B LHG WD . ? 1.6376 1.3704 1.4602 -0.0096 -0.0178 0.0160 101 LHG E C23 +54111 O O10 A LHG WD . ? 1.7100 1.4482 1.5352 -0.0068 -0.0185 0.0165 101 LHG E O10 +54112 O O10 B LHG WD . ? 1.7129 1.4516 1.5384 -0.0069 -0.0185 0.0166 101 LHG E O10 +54113 C C24 A LHG WD . ? 1.5606 1.2972 1.3868 -0.0126 -0.0177 0.0141 101 LHG E C24 +54114 C C24 B LHG WD . ? 1.5597 1.2969 1.3862 -0.0125 -0.0178 0.0142 101 LHG E C24 +54115 C C11 A LHG WD . ? 1.4014 1.1308 1.2298 -0.0400 -0.0134 0.0132 101 LHG E C11 +54116 C C11 B LHG WD . ? 1.4020 1.1317 1.2306 -0.0400 -0.0135 0.0132 101 LHG E C11 +54117 C C12 A LHG WD . ? 1.3558 1.0918 1.1898 -0.0448 -0.0134 0.0122 101 LHG E C12 +54118 C C12 B LHG WD . ? 1.3553 1.0918 1.1895 -0.0447 -0.0135 0.0122 101 LHG E C12 +54119 C C13 A LHG WD . ? 1.2887 1.0230 1.1227 -0.0494 -0.0119 0.0134 101 LHG E C13 +54120 C C13 B LHG WD . ? 1.2874 1.0223 1.1217 -0.0493 -0.0120 0.0133 101 LHG E C13 +54121 C C14 A LHG WD . ? 1.3815 1.1236 1.2218 -0.0538 -0.0120 0.0124 101 LHG E C14 +54122 C C14 B LHG WD . ? 1.3817 1.1243 1.2223 -0.0538 -0.0121 0.0123 101 LHG E C14 +54123 C C15 A LHG WD . ? 1.4834 1.2361 1.3298 -0.0527 -0.0123 0.0131 101 LHG E C15 +54124 C C15 B LHG WD . ? 1.4849 1.2380 1.3316 -0.0527 -0.0123 0.0131 101 LHG E C15 +54125 C C16 A LHG WD . ? 1.4562 1.2144 1.3075 -0.0575 -0.0115 0.0132 101 LHG E C16 +54126 C C16 B LHG WD . ? 1.4572 1.2157 1.3087 -0.0575 -0.0115 0.0132 101 LHG E C16 +54127 C C17 A LHG WD . ? 1.4589 1.2271 1.3158 -0.0563 -0.0117 0.0140 101 LHG E C17 +54128 C C17 B LHG WD . ? 1.4610 1.2295 1.3181 -0.0563 -0.0118 0.0140 101 LHG E C17 +54129 C C18 A LHG WD . ? 1.3354 1.1023 1.1901 -0.0532 -0.0111 0.0161 101 LHG E C18 +54130 C C18 B LHG WD . ? 1.3365 1.1039 1.1915 -0.0529 -0.0112 0.0160 101 LHG E C18 +54131 C C19 A LHG WD . ? 1.1089 0.8854 0.9691 -0.0523 -0.0113 0.0168 101 LHG E C19 +54132 C C19 B LHG WD . ? 1.1068 0.8837 0.9672 -0.0520 -0.0114 0.0167 101 LHG E C19 +54133 C C20 A LHG WD . ? 1.2321 1.0110 1.0946 -0.0561 -0.0098 0.0178 101 LHG E C20 +54134 C C20 B LHG WD . ? 1.2324 1.0116 1.0951 -0.0559 -0.0099 0.0177 101 LHG E C20 +54135 C C21 A LHG WD . ? 1.0844 0.8720 0.9516 -0.0548 -0.0099 0.0187 101 LHG E C21 +54136 C C21 B LHG WD . ? 1.0843 0.8719 0.9515 -0.0547 -0.0100 0.0186 101 LHG E C21 +54137 C C22 A LHG WD . ? 1.1106 0.9070 0.9837 -0.0550 -0.0112 0.0172 101 LHG E C22 +54138 C C22 B LHG WD . ? 1.1098 0.9064 0.9831 -0.0552 -0.0111 0.0172 101 LHG E C22 +54139 C C25 A LHG WD . ? 1.5832 1.3275 1.4149 -0.0168 -0.0173 0.0146 101 LHG E C25 +54140 C C25 B LHG WD . ? 1.5841 1.3286 1.4160 -0.0168 -0.0173 0.0146 101 LHG E C25 +54141 C C26 A LHG WD . ? 1.6150 1.3681 1.4527 -0.0173 -0.0178 0.0131 101 LHG E C26 +54142 C C26 B LHG WD . ? 1.6157 1.3691 1.4536 -0.0173 -0.0178 0.0131 101 LHG E C26 +54143 C C27 A LHG WD . ? 1.5633 1.3255 1.4060 -0.0147 -0.0184 0.0135 101 LHG E C27 +54144 C C27 B LHG WD . ? 1.5631 1.3255 1.4059 -0.0147 -0.0184 0.0135 101 LHG E C27 +54145 C C28 A LHG WD . ? 1.5096 1.2782 1.3567 -0.0181 -0.0179 0.0145 101 LHG E C28 +54146 C C28 B LHG WD . ? 1.5099 1.2788 1.3572 -0.0180 -0.0180 0.0144 101 LHG E C28 +54147 C C29 A LHG WD . ? 1.6774 1.4489 1.5275 -0.0223 -0.0177 0.0133 101 LHG E C29 +54148 C C29 B LHG WD . ? 1.6789 1.4508 1.5292 -0.0223 -0.0177 0.0133 101 LHG E C29 +54149 C C30 A LHG WD . ? 1.6911 1.4686 1.5455 -0.0258 -0.0172 0.0141 101 LHG E C30 +54150 C C30 B LHG WD . ? 1.6945 1.4720 1.5489 -0.0258 -0.0172 0.0142 101 LHG E C30 +54151 C C31 A LHG WD . ? 1.5682 1.3481 1.4253 -0.0300 -0.0171 0.0129 101 LHG E C31 +54152 C C31 B LHG WD . ? 1.5689 1.3487 1.4260 -0.0301 -0.0171 0.0130 101 LHG E C31 +54153 C CHA . HEM XD . ? 1.0726 0.7300 0.8655 -0.0692 -0.0098 0.0043 102 HEM E CHA +54154 C CHB . HEM XD . ? 1.0442 0.7050 0.8453 -0.0869 -0.0117 -0.0032 102 HEM E CHB +54155 C CHC . HEM XD . ? 1.0171 0.7090 0.8332 -0.0761 -0.0176 -0.0065 102 HEM E CHC +54156 C CHD . HEM XD . ? 0.8423 0.5306 0.6514 -0.0593 -0.0152 0.0003 102 HEM E CHD +54157 C C1A . HEM XD . ? 1.1103 0.7652 0.9036 -0.0747 -0.0097 0.0026 102 HEM E C1A +54158 C C2A . HEM XD . ? 1.1886 0.8327 0.9762 -0.0785 -0.0083 0.0028 102 HEM E C2A +54159 C C3A . HEM XD . ? 1.2421 0.8872 1.0322 -0.0836 -0.0087 0.0007 102 HEM E C3A +54160 C C4A . HEM XD . ? 1.0623 0.7188 0.8593 -0.0829 -0.0105 -0.0008 102 HEM E C4A +54161 C CMA . HEM XD . ? 1.1438 0.7794 0.9297 -0.0892 -0.0075 0.0000 102 HEM E CMA +54162 C CAA . HEM XD . ? 1.1645 0.7975 0.9445 -0.0770 -0.0066 0.0049 102 HEM E CAA +54163 C CBA . HEM XD . ? 1.1654 0.7896 0.9383 -0.0722 -0.0076 0.0041 102 HEM E CBA +54164 C CGA . HEM XD . ? 1.4078 1.0185 1.1715 -0.0705 -0.0063 0.0057 102 HEM E CGA +54165 O O1A . HEM XD . ? 1.1564 0.7581 0.9137 -0.0678 -0.0069 0.0047 102 HEM E O1A +54166 O O2A . HEM XD . ? 1.3484 0.9566 1.1105 -0.0717 -0.0046 0.0079 102 HEM E O2A +54167 C C1B . HEM XD . ? 1.0481 0.7185 0.8545 -0.0853 -0.0136 -0.0047 102 HEM E C1B +54168 C C2B . HEM XD . ? 1.1066 0.7818 0.9173 -0.0895 -0.0149 -0.0071 102 HEM E C2B +54169 C C3B . HEM XD . ? 1.0860 0.7699 0.9008 -0.0865 -0.0166 -0.0080 102 HEM E C3B +54170 C C4B . HEM XD . ? 1.0852 0.7694 0.8982 -0.0804 -0.0163 -0.0062 102 HEM E C4B +54171 C CMB . HEM XD . ? 1.0777 0.7491 0.8884 -0.0961 -0.0144 -0.0083 102 HEM E CMB +54172 C CAB . HEM XD . ? 1.1037 0.7950 0.9234 -0.0885 -0.0186 -0.0104 102 HEM E CAB +54173 C CBB . HEM XD . ? 1.1129 0.8094 0.9377 -0.0937 -0.0189 -0.0114 102 HEM E CBB +54174 C C1C . HEM XD . ? 0.9097 0.6030 0.7250 -0.0706 -0.0172 -0.0049 102 HEM E C1C +54175 C C2C . HEM XD . ? 1.0152 0.7154 0.8331 -0.0663 -0.0183 -0.0052 102 HEM E C2C +54176 C C3C . HEM XD . ? 1.0563 0.7556 0.8725 -0.0617 -0.0176 -0.0033 102 HEM E C3C +54177 C C4C . HEM XD . ? 0.8710 0.5624 0.6830 -0.0630 -0.0161 -0.0017 102 HEM E C4C +54178 C CMC . HEM XD . ? 0.9328 0.6402 0.7548 -0.0666 -0.0200 -0.0073 102 HEM E CMC +54179 C CAC . HEM XD . ? 1.0346 0.7401 0.8529 -0.0564 -0.0183 -0.0031 102 HEM E CAC +54180 C CBC . HEM XD . ? 1.1114 0.8118 0.9251 -0.0521 -0.0186 -0.0037 102 HEM E CBC +54181 C C1D . HEM XD . ? 1.0139 0.6944 0.8187 -0.0609 -0.0136 0.0020 102 HEM E C1D +54182 C C2D . HEM XD . ? 1.0148 0.6942 0.8179 -0.0575 -0.0127 0.0044 102 HEM E C2D +54183 C C3D . HEM XD . ? 0.9654 0.6362 0.7639 -0.0602 -0.0113 0.0055 102 HEM E C3D +54184 C C4D . HEM XD . ? 1.2253 0.8920 1.0229 -0.0653 -0.0112 0.0037 102 HEM E C4D +54185 C CMD . HEM XD . ? 0.9307 0.6169 0.7365 -0.0523 -0.0133 0.0054 102 HEM E CMD +54186 C CAD . HEM XD . ? 1.0079 0.6743 0.8028 -0.0583 -0.0099 0.0081 102 HEM E CAD +54187 C CBD . HEM XD . ? 0.9522 0.6252 0.7524 -0.0627 -0.0088 0.0093 102 HEM E CBD +54188 C CGD . HEM XD . ? 1.1680 0.8404 0.9673 -0.0625 -0.0073 0.0119 102 HEM E CGD +54189 O O1D . HEM XD . ? 0.9784 0.6604 0.7836 -0.0624 -0.0072 0.0127 102 HEM E O1D +54190 O O2D . HEM XD . ? 1.0409 0.7032 0.8335 -0.0624 -0.0060 0.0132 102 HEM E O2D +54191 N NA . HEM XD . ? 1.1703 0.8319 0.9687 -0.0773 -0.0111 0.0003 102 HEM E NA +54192 N NB . HEM XD . ? 0.9916 0.6677 0.7997 -0.0800 -0.0145 -0.0043 102 HEM E NB +54193 N NC . HEM XD . ? 1.1048 0.7923 0.9161 -0.0685 -0.0158 -0.0028 102 HEM E NC +54194 N ND . HEM XD . ? 0.9757 0.6486 0.7772 -0.0655 -0.0128 0.0016 102 HEM E ND +54195 FE FE . HEM XD . ? 0.9737 0.6484 0.7787 -0.0728 -0.0134 -0.0011 102 HEM E FE +54196 C C1B . LMT YD . ? 2.4018 2.1438 2.2078 -0.0580 -0.0503 -0.0446 101 LMT F C1B +54197 C C2B . LMT YD . ? 2.5489 2.2928 2.3518 -0.0556 -0.0515 -0.0459 101 LMT F C2B +54198 C C3B . LMT YD . ? 2.4770 2.2299 2.2845 -0.0534 -0.0508 -0.0439 101 LMT F C3B +54199 C C4B . LMT YD . ? 2.5169 2.2774 2.3322 -0.0564 -0.0514 -0.0425 101 LMT F C4B +54200 C C5B . LMT YD . ? 2.4500 2.2073 2.2671 -0.0581 -0.0499 -0.0413 101 LMT F C5B +54201 C C6B . LMT YD . ? 1.9441 1.7085 1.7688 -0.0606 -0.0499 -0.0395 101 LMT F C6B +54202 O O1B . LMT YD . ? 2.4166 2.1565 2.2217 -0.0547 -0.0475 -0.0428 101 LMT F O1B +54203 O O2B . LMT YD . ? 2.3726 2.1096 2.1689 -0.0525 -0.0503 -0.0467 101 LMT F O2B +54204 O O3B . LMT YD . ? 2.0535 1.8079 1.8581 -0.0518 -0.0520 -0.0450 101 LMT F O3B +54205 O "O4'" . LMT YD . ? 1.6262 1.3942 1.4454 -0.0543 -0.0505 -0.0405 101 LMT F "O4'" +54206 O O5B . LMT YD . ? 2.4830 2.2326 2.2962 -0.0606 -0.0509 -0.0433 101 LMT F O5B +54207 O O6B . LMT YD . ? 1.7861 1.5477 1.6118 -0.0611 -0.0479 -0.0381 101 LMT F O6B +54208 C "C1'" . LMT YD . ? 1.8422 1.5641 1.6392 -0.0490 -0.0413 -0.0404 101 LMT F "C1'" +54209 C "C2'" . LMT YD . ? 2.1937 1.9138 1.9859 -0.0474 -0.0425 -0.0427 101 LMT F "C2'" +54210 C "C3'" . LMT YD . ? 2.2802 2.0079 2.0759 -0.0493 -0.0445 -0.0432 101 LMT F "C3'" +54211 C "C4'" . LMT YD . ? 2.2789 2.0099 2.0794 -0.0544 -0.0464 -0.0433 101 LMT F "C4'" +54212 C "C5'" . LMT YD . ? 2.0988 1.8305 1.9034 -0.0551 -0.0446 -0.0409 101 LMT F "C5'" +54213 C "C6'" . LMT YD . ? 1.9476 1.6829 1.7575 -0.0599 -0.0458 -0.0406 101 LMT F "C6'" +54214 O "O1'" . LMT YD . ? 1.7593 1.4735 1.5527 -0.0477 -0.0399 -0.0402 101 LMT F "O1'" +54215 O "O2'" . LMT YD . ? 1.9155 1.6358 1.7057 -0.0426 -0.0405 -0.0421 101 LMT F "O2'" +54216 O "O3'" . LMT YD . ? 2.2551 1.9800 2.0457 -0.0486 -0.0459 -0.0455 101 LMT F "O3'" +54217 O "O5'" . LMT YD . ? 2.0045 1.7275 1.8044 -0.0540 -0.0432 -0.0410 101 LMT F "O5'" +54218 O "O6'" . LMT YD . ? 1.6767 1.4200 1.4927 -0.0593 -0.0448 -0.0382 101 LMT F "O6'" +54219 C C1 . LMT YD . ? 1.5445 1.2594 1.3377 -0.0431 -0.0376 -0.0386 101 LMT F C1 +54220 C C2 . LMT YD . ? 1.5663 1.2772 1.3599 -0.0435 -0.0363 -0.0371 101 LMT F C2 +54221 C C3 . LMT YD . ? 1.5857 1.2985 1.3806 -0.0393 -0.0341 -0.0350 101 LMT F C3 +54222 C C4 . LMT YD . ? 1.7155 1.4237 1.5103 -0.0402 -0.0332 -0.0336 101 LMT F C4 +54223 C C5 . LMT YD . ? 1.5691 1.2827 1.3683 -0.0377 -0.0315 -0.0311 101 LMT F C5 +54224 C C6 . LMT YD . ? 1.5205 1.2283 1.3182 -0.0375 -0.0305 -0.0298 101 LMT F C6 +54225 C C7 . LMT YD . ? 1.4883 1.2026 1.2920 -0.0380 -0.0297 -0.0273 101 LMT F C7 +54226 C C8 . LMT YD . ? 1.4557 1.1636 1.2572 -0.0378 -0.0287 -0.0260 101 LMT F C8 +54227 C C9 . LMT YD . ? 1.6223 1.3351 1.4277 -0.0354 -0.0274 -0.0235 101 LMT F C9 +54228 C C10 . LMT YD . ? 1.9446 1.6491 1.7460 -0.0341 -0.0264 -0.0226 101 LMT F C10 +54229 C C11 . LMT YD . ? 1.7308 1.4394 1.5356 -0.0321 -0.0253 -0.0201 101 LMT F C11 +54230 C C12 . LMT YD . ? 1.6826 1.3831 1.4828 -0.0292 -0.0244 -0.0194 101 LMT F C12 +54231 O O6 . SQD ZD . ? 1.4331 1.0874 1.2307 -0.1037 0.0125 0.0212 102 SQD F O6 +54232 C C44 . SQD ZD . ? 1.3551 1.0171 1.1591 -0.1085 0.0144 0.0214 102 SQD F C44 +54233 C C45 . SQD ZD . ? 1.6496 1.3204 1.4619 -0.1129 0.0133 0.0187 102 SQD F C45 +54234 C C46 . SQD ZD . ? 1.5935 1.2710 1.4092 -0.1084 0.0100 0.0172 102 SQD F C46 +54235 O O47 . SQD ZD . ? 1.8426 1.5059 1.6523 -0.1178 0.0141 0.0173 102 SQD F O47 +54236 C C7 . SQD ZD . ? 1.9012 1.5718 1.7185 -0.1239 0.0144 0.0153 102 SQD F C7 +54237 O O49 . SQD ZD . ? 1.9415 1.6056 1.7566 -0.1285 0.0152 0.0141 102 SQD F O49 +54238 C C8 . SQD ZD . ? 2.0038 1.6894 1.8314 -0.1250 0.0138 0.0146 102 SQD F C8 +54239 C C9 . SQD ZD . ? 1.8308 1.5201 1.6640 -0.1323 0.0151 0.0130 102 SQD F C9 +54240 C C10 . SQD ZD . ? 1.7663 1.4703 1.6100 -0.1332 0.0133 0.0112 102 SQD F C10 +54241 C C11 . SQD ZD . ? 1.2897 0.9987 1.1396 -0.1402 0.0151 0.0101 102 SQD F C11 +54242 O O48 . SQD ZD . ? 1.6672 1.3562 1.4894 -0.1064 0.0096 0.0179 102 SQD F O48 +54243 C C23 . SQD ZD . ? 1.6433 1.3434 1.4730 -0.1055 0.0071 0.0159 102 SQD F C23 +54244 O O10 . SQD ZD . ? 1.7166 1.4148 1.5454 -0.1045 0.0051 0.0141 102 SQD F O10 +54245 C C24 . SQD ZD . ? 1.6723 1.3854 1.5104 -0.1058 0.0070 0.0161 102 SQD F C24 +54246 C C25 . SQD ZD . ? 1.7051 1.4273 1.5492 -0.1043 0.0041 0.0139 102 SQD F C25 +54247 C C26 . SQD ZD . ? 1.5883 1.3197 1.4405 -0.1092 0.0041 0.0123 102 SQD F C26 +54248 C C27 . SQD ZD . ? 1.4047 1.1480 1.2637 -0.1076 0.0039 0.0129 102 SQD F C27 +54249 C C28 . SQD ZD . ? 1.6101 1.3631 1.4774 -0.1115 0.0030 0.0108 102 SQD F C28 +54250 C C29 . SQD ZD . ? 1.6561 1.4205 1.5302 -0.1106 0.0031 0.0115 102 SQD F C29 +54251 C C30 . SQD ZD . ? 1.5797 1.3540 1.4618 -0.1135 0.0017 0.0092 102 SQD F C30 +54252 C C31 . SQD ZD . ? 1.5293 1.3018 1.4131 -0.1198 0.0031 0.0080 102 SQD F C31 +54253 C C32 . SQD ZD . ? 1.5311 1.3045 1.4169 -0.1219 0.0007 0.0052 102 SQD F C32 +54254 C C33 . SQD ZD . ? 1.4733 1.2575 1.3679 -0.1255 0.0001 0.0034 102 SQD F C33 +54255 C C34 . SQD ZD . ? 1.4793 1.2742 1.3793 -0.1222 -0.0008 0.0040 102 SQD F C34 +54256 C C35 . SQD ZD . ? 1.5983 1.4032 1.5057 -0.1234 -0.0032 0.0016 102 SQD F C35 +54257 C C36 . SQD ZD . ? 1.5063 1.3078 1.4112 -0.1223 -0.0060 -0.0004 102 SQD F C36 +54258 C C37 . SQD ZD . ? 1.2857 1.0967 1.1956 -0.1197 -0.0089 -0.0018 102 SQD F C37 +54259 C C38 . SQD ZD . ? 1.4209 1.2278 1.3274 -0.1181 -0.0115 -0.0036 102 SQD F C38 +54260 C C1 . SQD ZD . ? 1.3222 0.9707 1.1135 -0.0992 0.0133 0.0238 102 SQD F C1 +54261 C C2 . SQD ZD . ? 1.4675 1.1005 1.2480 -0.0986 0.0146 0.0250 102 SQD F C2 +54262 O O2 . SQD ZD . ? 1.2355 0.8618 1.0141 -0.1049 0.0165 0.0243 102 SQD F O2 +54263 C C3 . SQD ZD . ? 1.4473 1.0784 1.2243 -0.0965 0.0164 0.0280 102 SQD F C3 +54264 O O3 . SQD ZD . ? 1.3897 1.0063 1.1561 -0.0951 0.0176 0.0296 102 SQD F O3 +54265 C C4 . SQD ZD . ? 1.3157 0.9558 1.0963 -0.0905 0.0144 0.0286 102 SQD F C4 +54266 O O4 . SQD ZD . ? 1.2124 0.8537 0.9922 -0.0902 0.0162 0.0309 102 SQD F O4 +54267 C C5 . SQD ZD . ? 1.2329 0.8871 1.0237 -0.0909 0.0124 0.0265 102 SQD F C5 +54268 C C6 . SQD ZD . ? 1.1299 0.7919 0.9235 -0.0847 0.0102 0.0270 102 SQD F C6 +54269 O O5 . SQD ZD . ? 1.1286 0.7818 0.9206 -0.0927 0.0110 0.0240 102 SQD F O5 +54270 S S . SQD ZD . ? 1.1091 0.7870 0.9140 -0.0855 0.0088 0.0254 102 SQD F S +54271 O O7 . SQD ZD . ? 1.0896 0.7701 0.8982 -0.0878 0.0073 0.0228 102 SQD F O7 +54272 O O8 . SQD ZD . ? 1.0457 0.7297 0.8555 -0.0901 0.0109 0.0261 102 SQD F O8 +54273 O O9 . SQD ZD . ? 1.0751 0.7581 0.8809 -0.0794 0.0069 0.0261 102 SQD F O9 +54274 CA CA . CA AE . ? 1.7520 1.5402 1.5615 -0.0452 -0.0588 -0.0438 103 CA F CA +54275 C C1 . BCR BE . ? 0.8447 0.7676 0.8090 -0.0960 0.0201 0.0221 101 BCR H C1 +54276 C C2 . BCR BE . ? 0.8362 0.7498 0.7923 -0.0946 0.0214 0.0243 101 BCR H C2 +54277 C C3 . BCR BE . ? 0.7990 0.7053 0.7515 -0.0983 0.0236 0.0248 101 BCR H C3 +54278 C C4 . BCR BE . ? 0.7247 0.6347 0.6812 -0.1023 0.0269 0.0246 101 BCR H C4 +54279 C C5 . BCR BE . ? 0.7592 0.6798 0.7245 -0.1034 0.0261 0.0226 101 BCR H C5 +54280 C C6 . BCR BE . ? 0.7576 0.6842 0.7264 -0.1004 0.0230 0.0215 101 BCR H C6 +54281 C C7 . BCR BE . ? 0.7132 0.6501 0.6904 -0.1012 0.0220 0.0195 101 BCR H C7 +54282 C C8 . BCR BE . ? 0.7272 0.6680 0.7098 -0.1049 0.0219 0.0178 101 BCR H C8 +54283 C C9 . BCR BE . ? 0.8723 0.8237 0.8631 -0.1052 0.0208 0.0158 101 BCR H C9 +54284 C C10 . BCR BE . ? 0.7153 0.6701 0.7111 -0.1087 0.0201 0.0139 101 BCR H C10 +54285 C C11 . BCR BE . ? 0.8074 0.7726 0.8116 -0.1092 0.0187 0.0117 101 BCR H C11 +54286 C C33 . BCR BE . ? 0.7614 0.6856 0.7313 -0.1080 0.0292 0.0220 101 BCR H C33 +54287 C C31 . BCR BE . ? 0.7337 0.6560 0.6991 -0.0965 0.0171 0.0206 101 BCR H C31 +54288 C C32 . BCR BE . ? 0.7494 0.6790 0.7165 -0.0924 0.0188 0.0220 101 BCR H C32 +54289 C C34 . BCR BE . ? 0.7518 0.7096 0.7451 -0.1015 0.0202 0.0159 101 BCR H C34 +54290 C C12 . BCR BE . ? 0.8302 0.7971 0.8378 -0.1118 0.0168 0.0098 101 BCR H C12 +54291 C C13 . BCR BE . ? 0.8651 0.8419 0.8809 -0.1125 0.0149 0.0073 101 BCR H C13 +54292 C C14 . BCR BE . ? 0.9007 0.8780 0.9189 -0.1153 0.0130 0.0054 101 BCR H C14 +54293 C C15 . BCR BE . ? 0.7604 0.7469 0.7865 -0.1163 0.0107 0.0028 101 BCR H C15 +54294 C C16 . BCR BE . ? 0.8933 0.8787 0.9203 -0.1184 0.0083 0.0011 101 BCR H C16 +54295 C C17 . BCR BE . ? 0.8623 0.8564 0.8967 -0.1195 0.0056 -0.0016 101 BCR H C17 +54296 C C18 . BCR BE . ? 0.8392 0.8319 0.8742 -0.1219 0.0033 -0.0034 101 BCR H C18 +54297 C C19 . BCR BE . ? 0.8916 0.8934 0.9342 -0.1229 0.0005 -0.0063 101 BCR H C19 +54298 C C20 . BCR BE . ? 0.8540 0.8550 0.8971 -0.1243 -0.0025 -0.0082 101 BCR H C20 +54299 C C21 . BCR BE . ? 0.8813 0.8922 0.9323 -0.1250 -0.0053 -0.0110 101 BCR H C21 +54300 C C22 . BCR BE . ? 0.9134 0.9247 0.9658 -0.1266 -0.0084 -0.0132 101 BCR H C22 +54301 C C23 . BCR BE . ? 0.9272 0.9481 0.9869 -0.1269 -0.0110 -0.0157 101 BCR H C23 +54302 C C24 . BCR BE . ? 0.9663 0.9878 1.0269 -0.1277 -0.0146 -0.0180 101 BCR H C24 +54303 C C25 . BCR BE . ? 1.1445 1.1763 1.2130 -0.1279 -0.0178 -0.0209 101 BCR H C25 +54304 C C26 . BCR BE . ? 0.9949 1.0314 1.0642 -0.1232 -0.0208 -0.0212 101 BCR H C26 +54305 C C27 . BCR BE . ? 1.0148 1.0616 1.0916 -0.1227 -0.0244 -0.0241 101 BCR H C27 +54306 C C28 . BCR BE . ? 1.0988 1.1522 1.1836 -0.1281 -0.0233 -0.0263 101 BCR H C28 +54307 C C29 . BCR BE . ? 1.0864 1.1319 1.1680 -0.1332 -0.0218 -0.0264 101 BCR H C29 +54308 C C30 . BCR BE . ? 1.1191 1.1556 1.1942 -0.1336 -0.0175 -0.0234 101 BCR H C30 +54309 C C35 . BCR BE . ? 0.9420 0.9277 0.9629 -0.1100 0.0148 0.0070 101 BCR H C35 +54310 C C36 . BCR BE . ? 0.7564 0.7382 0.7842 -0.1234 0.0036 -0.0026 101 BCR H C36 +54311 C C37 . BCR BE . ? 0.8613 0.8625 0.9070 -0.1281 -0.0093 -0.0131 101 BCR H C37 +54312 C C38 . BCR BE . ? 0.9807 1.0121 1.0433 -0.1180 -0.0208 -0.0188 101 BCR H C38 +54313 C C39 . BCR BE . ? 0.8694 0.8963 0.9394 -0.1375 -0.0169 -0.0234 101 BCR H C39 +54314 C C40 . BCR BE . ? 1.0804 1.1218 1.1608 -0.1363 -0.0132 -0.0227 101 BCR H C40 +54315 C C1A . DGD CE . ? 0.6568 0.6074 0.6310 -0.0677 -0.0270 0.0029 102 DGD H C1A +54316 C C2A . DGD CE . ? 0.7545 0.6990 0.7260 -0.0700 -0.0260 0.0029 102 DGD H C2A +54317 C C3A . DGD CE . ? 0.7161 0.6576 0.6861 -0.0702 -0.0233 0.0048 102 DGD H C3A +54318 C C4A . DGD CE . ? 0.8909 0.8255 0.8573 -0.0720 -0.0224 0.0050 102 DGD H C4A +54319 C C5A . DGD CE . ? 0.9246 0.8558 0.8891 -0.0722 -0.0198 0.0068 102 DGD H C5A +54320 C C6A . DGD CE . ? 0.8944 0.8181 0.8546 -0.0733 -0.0191 0.0071 102 DGD H C6A +54321 C C7A . DGD CE . ? 0.8846 0.8053 0.8436 -0.0747 -0.0165 0.0086 102 DGD H C7A +54322 C C8A . DGD CE . ? 0.9207 0.8331 0.8743 -0.0747 -0.0158 0.0093 102 DGD H C8A +54323 C C9A . DGD CE . ? 0.9282 0.8379 0.8795 -0.0739 -0.0135 0.0113 102 DGD H C9A +54324 C CAA . DGD CE . ? 0.8011 0.7048 0.7471 -0.0712 -0.0137 0.0122 102 DGD H CAA +54325 C CBA . DGD CE . ? 0.9264 0.8291 0.8707 -0.0695 -0.0120 0.0141 102 DGD H CBA +54326 C CCA . DGD CE . ? 0.9345 0.8323 0.8742 -0.0664 -0.0126 0.0149 102 DGD H CCA +54327 C CDA . DGD CE . ? 0.9812 0.8765 0.9183 -0.0650 -0.0110 0.0167 102 DGD H CDA +54328 C CEA . DGD CE . ? 0.9419 0.8431 0.8818 -0.0636 -0.0107 0.0173 102 DGD H CEA +54329 C CFA . DGD CE . ? 0.8859 0.7850 0.8228 -0.0605 -0.0105 0.0187 102 DGD H CFA +54330 C CGA . DGD CE . ? 0.7546 0.6597 0.6943 -0.0586 -0.0109 0.0189 102 DGD H CGA +54331 O O1A . DGD CE . ? 0.7086 0.6608 0.6833 -0.0662 -0.0257 0.0042 102 DGD H O1A +54332 C C1B . DGD CE . ? 0.7440 0.7102 0.7307 -0.0699 -0.0263 0.0018 102 DGD H C1B +54333 C C2B . DGD CE . ? 0.7724 0.7395 0.7602 -0.0703 -0.0235 0.0033 102 DGD H C2B +54334 C C3B . DGD CE . ? 0.8038 0.7721 0.7905 -0.0668 -0.0234 0.0045 102 DGD H C3B +54335 C C4B . DGD CE . ? 0.8717 0.8409 0.8593 -0.0670 -0.0207 0.0060 102 DGD H C4B +54336 C C5B . DGD CE . ? 0.8596 0.8221 0.8430 -0.0678 -0.0187 0.0074 102 DGD H C5B +54337 C C6B . DGD CE . ? 0.8993 0.8570 0.8776 -0.0649 -0.0194 0.0083 102 DGD H C6B +54338 C C7B . DGD CE . ? 0.8134 0.7658 0.7880 -0.0649 -0.0172 0.0101 102 DGD H C7B +54339 C C8B . DGD CE . ? 0.7620 0.7078 0.7324 -0.0653 -0.0176 0.0101 102 DGD H C8B +54340 C C9B . DGD CE . ? 0.8464 0.7907 0.8141 -0.0624 -0.0194 0.0100 102 DGD H C9B +54341 C CAB . DGD CE . ? 0.7791 0.7233 0.7450 -0.0596 -0.0188 0.0113 102 DGD H CAB +54342 C CBB . DGD CE . ? 0.8617 0.8037 0.8247 -0.0571 -0.0204 0.0112 102 DGD H CBB +54343 C CCB . DGD CE . ? 0.9215 0.8672 0.8854 -0.0545 -0.0211 0.0114 102 DGD H CCB +54344 C CDB . DGD CE . ? 1.0419 0.9874 1.0046 -0.0532 -0.0232 0.0104 102 DGD H CDB +54345 C CEB . DGD CE . ? 0.8930 0.8422 0.8567 -0.0509 -0.0242 0.0104 102 DGD H CEB +54346 C CFB . DGD CE . ? 0.8207 0.7667 0.7807 -0.0487 -0.0248 0.0106 102 DGD H CFB +54347 C CGB . DGD CE . ? 0.8377 0.7806 0.7954 -0.0478 -0.0233 0.0121 102 DGD H CGB +54348 O O1B . DGD CE . ? 0.7833 0.7474 0.7697 -0.0722 -0.0270 0.0007 102 DGD H O1B +54349 O O1G . DGD CE . ? 0.7448 0.6993 0.7210 -0.0672 -0.0296 0.0012 102 DGD H O1G +54350 C C1G . DGD CE . ? 0.6256 0.5847 0.6033 -0.0646 -0.0305 0.0013 102 DGD H C1G +54351 C C2G . DGD CE . ? 0.6338 0.5998 0.6174 -0.0660 -0.0307 0.0004 102 DGD H C2G +54352 O O2G . DGD CE . ? 0.7652 0.7326 0.7504 -0.0664 -0.0282 0.0018 102 DGD H O2G +54353 C C3G . DGD CE . ? 0.6226 0.5933 0.6075 -0.0634 -0.0327 -0.0002 102 DGD H C3G +54354 O O3G . DGD CE . ? 0.7220 0.6921 0.7059 -0.0634 -0.0352 -0.0018 102 DGD H O3G +54355 C C1D . DGD CE . ? 0.6645 0.6338 0.6454 -0.0602 -0.0368 -0.0016 102 DGD H C1D +54356 C C2D . DGD CE . ? 0.6360 0.6027 0.6144 -0.0604 -0.0391 -0.0031 102 DGD H C2D +54357 O O2D . DGD CE . ? 0.7543 0.7148 0.7293 -0.0618 -0.0380 -0.0027 102 DGD H O2D +54358 C C3D . DGD CE . ? 0.7594 0.7255 0.7346 -0.0570 -0.0408 -0.0030 102 DGD H C3D +54359 O O3D . DGD CE . ? 0.7428 0.7068 0.7157 -0.0571 -0.0430 -0.0045 102 DGD H O3D +54360 C C4D . DGD CE . ? 0.6800 0.6521 0.6584 -0.0552 -0.0417 -0.0031 102 DGD H C4D +54361 O O4D . DGD CE . ? 0.7730 0.7499 0.7555 -0.0566 -0.0436 -0.0050 102 DGD H O4D +54362 C C5D . DGD CE . ? 0.7294 0.7038 0.7105 -0.0553 -0.0392 -0.0017 102 DGD H C5D +54363 O O5D . DGD CE . ? 0.8215 0.8069 0.8099 -0.0545 -0.0419 -0.0037 102 DGD H O5D +54364 C C6D . DGD CE . ? 0.6976 0.6780 0.6819 -0.0534 -0.0399 -0.0018 102 DGD H C6D +54365 O O6D . DGD CE . ? 0.7097 0.6850 0.6939 -0.0586 -0.0379 -0.0020 102 DGD H O6D +54366 C C1E . DGD CE . ? 0.8460 0.8379 0.8388 -0.0533 -0.0421 -0.0038 102 DGD H C1E +54367 C C2E . DGD CE . ? 0.8706 0.8683 0.8690 -0.0555 -0.0434 -0.0058 102 DGD H C2E +54368 O O2E . DGD CE . ? 0.8850 0.8818 0.8853 -0.0593 -0.0417 -0.0060 102 DGD H O2E +54369 C C3E . DGD CE . ? 1.1466 1.1445 1.1440 -0.0551 -0.0468 -0.0076 102 DGD H C3E +54370 O O3E . DGD CE . ? 0.9496 0.9535 0.9526 -0.0571 -0.0482 -0.0095 102 DGD H O3E +54371 C C4E . DGD CE . ? 1.0389 1.0366 1.0332 -0.0511 -0.0485 -0.0073 102 DGD H C4E +54372 O O4E . DGD CE . ? 0.9031 0.9071 0.9016 -0.0496 -0.0485 -0.0073 102 DGD H O4E +54373 C C5E . DGD CE . ? 1.1238 1.1151 1.1125 -0.0496 -0.0467 -0.0053 102 DGD H C5E +54374 O O6E . DGD CE . ? 0.8468 0.8390 0.8373 -0.0498 -0.0438 -0.0038 102 DGD H O6E +54375 C C6E . DGD CE . ? 0.8668 0.8560 0.8510 -0.0460 -0.0482 -0.0048 102 DGD H C6E +54376 O O5E . DGD CE . ? 0.9316 0.9252 0.9182 -0.0438 -0.0481 -0.0044 102 DGD H O5E +54377 C C10 . UNL DE . ? 1.2169 1.2338 1.2389 -0.0492 0.0219 -0.0151 101 UNL I C10 +54378 C C11 . UNL DE . ? 1.0728 1.0913 1.0958 -0.0451 0.0187 -0.0152 101 UNL I C11 +54379 C C12 . UNL DE . ? 1.0024 1.0161 1.0211 -0.0440 0.0153 -0.0136 101 UNL I C12 +54380 C C13 . UNL DE . ? 0.9455 0.9613 0.9658 -0.0403 0.0120 -0.0138 101 UNL I C13 +54381 C C14 . UNL DE . ? 1.0231 1.0330 1.0379 -0.0390 0.0093 -0.0120 101 UNL I C14 +54382 C C15 . UNL DE . ? 0.9250 0.9353 0.9397 -0.0351 0.0068 -0.0118 101 UNL I C15 +54383 C C16 . UNL DE . ? 1.0643 1.0810 1.0851 -0.0336 0.0046 -0.0134 101 UNL I C16 +54384 C C17 . UNL DE . ? 1.1031 1.1176 1.1217 -0.0309 0.0009 -0.0125 101 UNL I C17 +54385 C C18 . UNL DE . ? 0.9968 1.0174 1.0210 -0.0290 -0.0016 -0.0140 101 UNL I C18 +54386 C C19 . UNL DE . ? 1.0596 1.0778 1.0815 -0.0280 -0.0051 -0.0131 101 UNL I C19 +54387 C C20 . UNL DE . ? 1.1628 1.1866 1.1897 -0.0261 -0.0078 -0.0146 101 UNL I C20 +54388 C C21 . UNL DE . ? 1.3283 1.3497 1.3529 -0.0259 -0.0110 -0.0138 101 UNL I C21 +54389 C C22 . UNL DE . ? 1.2172 1.2392 1.2419 -0.0221 -0.0140 -0.0138 101 UNL I C22 +54390 C C23 . UNL DE . ? 1.9746 2.0146 2.0205 -0.0578 0.0262 -0.0221 101 UNL I C23 +54391 C C24 . UNL DE . ? 1.9799 2.0170 2.0242 -0.0610 0.0252 -0.0217 101 UNL I C24 +54392 C C25 . UNL DE . ? 1.8245 1.8561 1.8635 -0.0590 0.0213 -0.0200 101 UNL I C25 +54393 C C26 . UNL DE . ? 1.6662 1.7028 1.7096 -0.0563 0.0171 -0.0210 101 UNL I C26 +54394 C C27 . UNL DE . ? 1.6539 1.6883 1.6943 -0.0518 0.0149 -0.0199 101 UNL I C27 +54395 C C28 . UNL DE . ? 1.5152 1.5545 1.5595 -0.0494 0.0162 -0.0210 101 UNL I C28 +54396 C C29 . UNL DE . ? 1.4463 1.4847 1.4890 -0.0449 0.0132 -0.0203 101 UNL I C29 +54397 C C30 . UNL DE . ? 1.2184 1.2622 1.2655 -0.0422 0.0140 -0.0217 101 UNL I C30 +54398 C C31 . UNL DE . ? 1.1668 1.2166 1.2193 -0.0394 0.0105 -0.0231 101 UNL I C31 +54399 C C32 . UNL DE . ? 1.1856 1.2311 1.2339 -0.0366 0.0066 -0.0216 101 UNL I C32 +54400 C C33 . UNL DE . ? 1.3796 1.4310 1.4330 -0.0333 0.0033 -0.0231 101 UNL I C33 +54401 C C34 . UNL DE . ? 1.2113 1.2594 1.2615 -0.0317 -0.0008 -0.0220 101 UNL I C34 +54402 C C35 . UNL DE . ? 1.6457 1.6966 1.6978 -0.0273 -0.0037 -0.0226 101 UNL I C35 +54403 C C36 . UNL DE . ? 1.5262 1.5851 1.5856 -0.0266 -0.0058 -0.0249 101 UNL I C36 +54404 C C37 . UNL DE . ? 1.3972 1.4597 1.4593 -0.0221 -0.0076 -0.0258 101 UNL I C37 +54405 C C38 . UNL DE . ? 1.2434 1.3030 1.3024 -0.0191 -0.0118 -0.0249 101 UNL I C38 +54406 C C4 . UNL DE . ? 1.8008 1.8216 1.8264 -0.0580 0.0364 -0.0175 101 UNL I C4 +54407 C C5 . UNL DE . ? 1.9380 1.9588 1.9643 -0.0573 0.0319 -0.0172 101 UNL I C5 +54408 C C6 . UNL DE . ? 2.0849 2.1126 2.1187 -0.0595 0.0314 -0.0192 101 UNL I C6 +54409 C C7 . UNL DE . ? 1.5435 1.5508 1.5567 -0.0558 0.0293 -0.0135 101 UNL I C7 +54410 C C8 . UNL DE . ? 1.5128 1.5187 1.5249 -0.0539 0.0249 -0.0127 101 UNL I C8 +54411 C C9 . UNL DE . ? 1.2476 1.2559 1.2614 -0.0499 0.0225 -0.0129 101 UNL I C9 +54412 O O10 . UNL DE . ? 1.6173 1.6646 1.6699 -0.0560 0.0251 -0.0239 101 UNL I O10 +54413 O O6 . UNL DE . ? 1.6048 1.6174 1.6224 -0.0593 0.0384 -0.0157 101 UNL I O6 +54414 O O7 . UNL DE . ? 2.0021 2.0152 2.0215 -0.0587 0.0313 -0.0153 101 UNL I O7 +54415 O O8 . UNL DE . ? 2.0683 2.1024 2.1079 -0.0567 0.0283 -0.0205 101 UNL I O8 +54416 O O9 . UNL DE . ? 1.4757 1.4793 1.4846 -0.0549 0.0313 -0.0127 101 UNL I O9 +54417 C C10 . UNL EE . ? 1.1330 0.9081 0.9503 -0.0089 -0.0199 -0.0280 101 UNL J C10 +54418 C C11 . UNL EE . ? 1.0545 0.8319 0.8751 -0.0061 -0.0182 -0.0267 101 UNL J C11 +54419 C C12 . UNL EE . ? 1.1552 0.9338 0.9798 -0.0082 -0.0192 -0.0251 101 UNL J C12 +54420 C C13 . UNL EE . ? 1.2119 0.9906 1.0385 -0.0054 -0.0178 -0.0241 101 UNL J C13 +54421 C C14 . UNL EE . ? 1.1682 0.9444 0.9960 -0.0073 -0.0190 -0.0230 101 UNL J C14 +54422 C C15 . UNL EE . ? 1.2720 1.0470 1.1006 -0.0041 -0.0178 -0.0222 101 UNL J C15 +54423 C C16 . UNL EE . ? 1.0870 0.8593 0.9165 -0.0058 -0.0187 -0.0210 101 UNL J C16 +54424 C C7 . UNL EE . ? 1.2036 0.9851 1.0172 -0.0087 -0.0195 -0.0296 101 UNL J C7 +54425 C C8 . UNL EE . ? 1.3492 1.1246 1.1610 -0.0096 -0.0207 -0.0302 101 UNL J C8 +54426 C C9 . UNL EE . ? 1.2283 1.0031 1.0418 -0.0070 -0.0189 -0.0294 101 UNL J C9 +54427 MG MG . MG FE . ? 0.8531 0.6480 0.6921 -0.0352 -0.0341 -0.0249 102 MG J MG +54428 C C10 A UNL GE . ? 1.3507 1.0838 1.1702 0.0191 -0.0220 0.0073 101 UNL K C10 +54429 C C11 A UNL GE . ? 1.2657 1.0083 1.0913 0.0206 -0.0220 0.0057 101 UNL K C11 +54430 C C12 A UNL GE . ? 1.4339 1.1786 1.2615 0.0162 -0.0213 0.0046 101 UNL K C12 +54431 C C13 A UNL GE . ? 1.5059 1.2607 1.3398 0.0170 -0.0212 0.0034 101 UNL K C13 +54432 C C14 A UNL GE . ? 1.4883 1.2458 1.3244 0.0123 -0.0206 0.0026 101 UNL K C14 +54433 C C15 A UNL GE . ? 1.6160 1.3846 1.4591 0.0120 -0.0205 0.0021 101 UNL K C15 +54434 C C16 A UNL GE . ? 1.6626 1.4337 1.5077 0.0072 -0.0202 0.0016 101 UNL K C16 +54435 C C23 A UNL GE . ? 1.6376 1.3818 1.4615 0.0267 -0.0248 0.0127 101 UNL K C23 +54436 C C24 A UNL GE . ? 1.4676 1.2229 1.2993 0.0256 -0.0247 0.0114 101 UNL K C24 +54437 C C25 A UNL GE . ? 1.5550 1.3117 1.3886 0.0197 -0.0236 0.0115 101 UNL K C25 +54438 C C26 A UNL GE . ? 1.5274 1.2951 1.3684 0.0187 -0.0234 0.0104 101 UNL K C26 +54439 C C27 A UNL GE . ? 1.4092 1.1772 1.2513 0.0147 -0.0225 0.0093 101 UNL K C27 +54440 C C28 A UNL GE . ? 1.5807 1.3591 1.4296 0.0145 -0.0224 0.0083 101 UNL K C28 +54441 C C29 A UNL GE . ? 1.6714 1.4505 1.5213 0.0113 -0.0217 0.0069 101 UNL K C29 +54442 C C30 A UNL GE . ? 1.6575 1.4469 1.5140 0.0107 -0.0215 0.0062 101 UNL K C30 +54443 C C31 A UNL GE . ? 1.7429 1.5331 1.6003 0.0074 -0.0209 0.0050 101 UNL K C31 +54444 C C32 A UNL GE . ? 1.7482 1.5473 1.6114 0.0046 -0.0207 0.0052 101 UNL K C32 +54445 C C33 A UNL GE . ? 1.7338 1.5335 1.5978 0.0018 -0.0209 0.0070 101 UNL K C33 +54446 C C34 A UNL GE . ? 1.6248 1.4322 1.4939 -0.0013 -0.0207 0.0071 101 UNL K C34 +54447 C C35 A UNL GE . ? 1.5821 1.3899 1.4516 -0.0036 -0.0203 0.0057 101 UNL K C35 +54448 C C36 A UNL GE . ? 1.4916 1.3066 1.3657 -0.0068 -0.0202 0.0059 101 UNL K C36 +54449 C C37 A UNL GE . ? 1.5715 1.3879 1.4463 -0.0083 -0.0200 0.0044 101 UNL K C37 +54450 C C38 A UNL GE . ? 1.3926 1.2174 1.2723 -0.0079 -0.0199 0.0040 101 UNL K C38 +54451 C C4 A UNL GE . ? 1.5537 1.2650 1.3542 0.0392 -0.0263 0.0128 101 UNL K C4 +54452 C C5 A UNL GE . ? 1.6874 1.4051 1.4930 0.0331 -0.0253 0.0130 101 UNL K C5 +54453 C C6 A UNL GE . ? 1.5631 1.2916 1.3753 0.0336 -0.0260 0.0136 101 UNL K C6 +54454 C C7 A UNL GE . ? 1.7393 1.4532 1.5443 0.0276 -0.0235 0.0108 101 UNL K C7 +54455 C C8 A UNL GE . ? 1.5666 1.2854 1.3759 0.0225 -0.0226 0.0099 101 UNL K C8 +54456 C C9 A UNL GE . ? 1.3676 1.0971 1.1838 0.0240 -0.0228 0.0083 101 UNL K C9 +54457 O O10 A UNL GE . ? 1.7151 1.4553 1.5365 0.0233 -0.0243 0.0142 101 UNL K O10 +54458 O O6 A UNL GE . ? 1.6290 1.3447 1.4312 0.0428 -0.0276 0.0137 101 UNL K O6 +54459 O O7 A UNL GE . ? 1.7095 1.4312 1.5187 0.0313 -0.0246 0.0112 101 UNL K O7 +54460 O O8 A UNL GE . ? 1.5615 1.2996 1.3808 0.0318 -0.0255 0.0121 101 UNL K O8 +54461 O O9 A UNL GE . ? 1.8479 1.5513 1.6458 0.0287 -0.0234 0.0112 101 UNL K O9 +54462 C C10 B UNL GE . ? 1.3495 1.0819 1.1685 0.0193 -0.0220 0.0073 101 UNL K C10 +54463 C C11 B UNL GE . ? 1.2640 1.0063 1.0894 0.0206 -0.0220 0.0057 101 UNL K C11 +54464 C C12 B UNL GE . ? 1.4339 1.1784 1.2613 0.0161 -0.0213 0.0047 101 UNL K C12 +54465 C C13 B UNL GE . ? 1.5072 1.2617 1.3409 0.0170 -0.0212 0.0034 101 UNL K C13 +54466 C C14 B UNL GE . ? 1.4879 1.2450 1.3238 0.0123 -0.0206 0.0026 101 UNL K C14 +54467 C C15 B UNL GE . ? 1.6168 1.3850 1.4596 0.0120 -0.0205 0.0021 101 UNL K C15 +54468 C C16 B UNL GE . ? 1.6634 1.4341 1.5082 0.0073 -0.0201 0.0015 101 UNL K C16 +54469 C C23 B UNL GE . ? 1.6419 1.3861 1.4658 0.0266 -0.0249 0.0128 101 UNL K C23 +54470 C C24 B UNL GE . ? 1.4685 1.2241 1.3003 0.0256 -0.0247 0.0117 101 UNL K C24 +54471 C C25 B UNL GE . ? 1.5565 1.3132 1.3900 0.0199 -0.0236 0.0114 101 UNL K C25 +54472 C C26 B UNL GE . ? 1.5289 1.2967 1.3700 0.0189 -0.0234 0.0104 101 UNL K C26 +54473 C C27 B UNL GE . ? 1.4075 1.1756 1.2497 0.0149 -0.0225 0.0093 101 UNL K C27 +54474 C C28 B UNL GE . ? 1.5815 1.3601 1.4305 0.0146 -0.0224 0.0082 101 UNL K C28 +54475 C C29 B UNL GE . ? 1.6729 1.4521 1.5228 0.0113 -0.0217 0.0069 101 UNL K C29 +54476 C C30 B UNL GE . ? 1.6579 1.4474 1.5145 0.0107 -0.0215 0.0062 101 UNL K C30 +54477 C C31 B UNL GE . ? 1.7443 1.5345 1.6017 0.0073 -0.0209 0.0050 101 UNL K C31 +54478 C C32 B UNL GE . ? 1.7499 1.5488 1.6130 0.0045 -0.0207 0.0052 101 UNL K C32 +54479 C C33 B UNL GE . ? 1.7356 1.5352 1.5995 0.0018 -0.0209 0.0070 101 UNL K C33 +54480 C C34 B UNL GE . ? 1.6257 1.4332 1.4949 -0.0013 -0.0207 0.0071 101 UNL K C34 +54481 C C35 B UNL GE . ? 1.5827 1.3906 1.4523 -0.0038 -0.0203 0.0058 101 UNL K C35 +54482 C C36 B UNL GE . ? 1.4913 1.3066 1.3656 -0.0067 -0.0202 0.0060 101 UNL K C36 +54483 C C37 B UNL GE . ? 1.5733 1.3896 1.4481 -0.0085 -0.0200 0.0045 101 UNL K C37 +54484 C C38 B UNL GE . ? 1.3934 1.2179 1.2729 -0.0080 -0.0199 0.0040 101 UNL K C38 +54485 C C4 B UNL GE . ? 1.5523 1.2638 1.3529 0.0394 -0.0263 0.0128 101 UNL K C4 +54486 C C5 B UNL GE . ? 1.6881 1.4060 1.4938 0.0334 -0.0253 0.0130 101 UNL K C5 +54487 C C6 B UNL GE . ? 1.5633 1.2920 1.3756 0.0338 -0.0260 0.0135 101 UNL K C6 +54488 C C7 B UNL GE . ? 1.7424 1.4562 1.5473 0.0278 -0.0236 0.0108 101 UNL K C7 +54489 C C8 B UNL GE . ? 1.5679 1.2866 1.3771 0.0227 -0.0226 0.0099 101 UNL K C8 +54490 C C9 B UNL GE . ? 1.3638 1.0925 1.1795 0.0242 -0.0228 0.0082 101 UNL K C9 +54491 O O10 B UNL GE . ? 1.7206 1.4606 1.5418 0.0233 -0.0243 0.0143 101 UNL K O10 +54492 O O6 B UNL GE . ? 1.6300 1.3456 1.4321 0.0431 -0.0277 0.0136 101 UNL K O6 +54493 O O7 B UNL GE . ? 1.7129 1.4347 1.5221 0.0316 -0.0246 0.0111 101 UNL K O7 +54494 O O8 B UNL GE . ? 1.5632 1.3012 1.3825 0.0315 -0.0255 0.0122 101 UNL K O8 +54495 O O9 B UNL GE . ? 1.8520 1.5553 1.6498 0.0289 -0.0235 0.0112 101 UNL K O9 +54496 C C1 . BCR HE . ? 1.1348 0.8597 0.9119 0.0625 0.0076 -0.0461 102 BCR K C1 +54497 C C2 . BCR HE . ? 1.0144 0.7424 0.7905 0.0609 0.0092 -0.0470 102 BCR K C2 +54498 C C3 . BCR HE . ? 0.9910 0.7270 0.7713 0.0645 0.0124 -0.0477 102 BCR K C3 +54499 C C4 . BCR HE . ? 1.1178 0.8498 0.8951 0.0701 0.0139 -0.0493 102 BCR K C4 +54500 C C5 . BCR HE . ? 1.1250 0.8537 0.9031 0.0720 0.0121 -0.0485 102 BCR K C5 +54501 C C6 . BCR HE . ? 0.9757 0.7010 0.7535 0.0685 0.0093 -0.0470 102 BCR K C6 +54502 C C7 . BCR HE . ? 0.9276 0.6492 0.7057 0.0704 0.0077 -0.0461 102 BCR K C7 +54503 C C8 . BCR HE . ? 1.0251 0.7536 0.8097 0.0728 0.0078 -0.0449 102 BCR K C8 +54504 C C9 . BCR HE . ? 1.1743 0.8984 0.9585 0.0745 0.0060 -0.0439 102 BCR K C9 +54505 C C10 . BCR HE . ? 0.9623 0.6938 0.7534 0.0755 0.0055 -0.0423 102 BCR K C10 +54506 C C11 . BCR HE . ? 1.0407 0.7685 0.8316 0.0770 0.0036 -0.0411 102 BCR K C11 +54507 C C33 . BCR HE . ? 1.0901 0.8196 0.8694 0.0781 0.0137 -0.0495 102 BCR K C33 +54508 C C31 . BCR HE . ? 1.0098 0.7233 0.7795 0.0604 0.0053 -0.0465 102 BCR K C31 +54509 C C32 . BCR HE . ? 1.0481 0.7806 0.8327 0.0599 0.0064 -0.0437 102 BCR K C32 +54510 C C34 . BCR HE . ? 1.0682 0.7793 0.8438 0.0751 0.0046 -0.0447 102 BCR K C34 +54511 C C12 . BCR HE . ? 1.0670 0.8027 0.8650 0.0767 0.0030 -0.0394 102 BCR K C12 +54512 C C13 . BCR HE . ? 0.9698 0.7030 0.7683 0.0778 0.0010 -0.0378 102 BCR K C13 +54513 C C14 . BCR HE . ? 0.9393 0.6813 0.7451 0.0776 0.0005 -0.0362 102 BCR K C14 +54514 C C15 . BCR HE . ? 1.1896 0.9301 0.9964 0.0783 -0.0016 -0.0345 102 BCR K C15 +54515 C C16 . BCR HE . ? 0.9337 0.6832 0.7477 0.0775 -0.0021 -0.0329 102 BCR K C16 +54516 C C17 . BCR HE . ? 1.0468 0.7947 0.8615 0.0779 -0.0041 -0.0311 102 BCR K C17 +54517 C C18 . BCR HE . ? 1.1156 0.8722 0.9372 0.0775 -0.0048 -0.0297 102 BCR K C18 +54518 C C19 . BCR HE . ? 1.0792 0.8321 0.8999 0.0778 -0.0069 -0.0279 102 BCR K C19 +54519 C C20 . BCR HE . ? 0.8641 0.6238 0.6903 0.0776 -0.0080 -0.0263 102 BCR K C20 +54520 C C21 . BCR HE . ? 1.0024 0.7560 0.8257 0.0778 -0.0100 -0.0246 102 BCR K C21 +54521 C C22 . BCR HE . ? 0.9651 0.7229 0.7922 0.0756 -0.0113 -0.0227 102 BCR K C22 +54522 C C23 . BCR HE . ? 0.9806 0.7320 0.8042 0.0759 -0.0131 -0.0212 102 BCR K C23 +54523 C C24 . BCR HE . ? 0.8664 0.6220 0.6936 0.0741 -0.0143 -0.0193 102 BCR K C24 +54524 C C25 . BCR HE . ? 0.9859 0.7347 0.8092 0.0743 -0.0161 -0.0175 102 BCR K C25 +54525 C C26 . BCR HE . ? 0.8557 0.6020 0.6774 0.0797 -0.0171 -0.0175 102 BCR K C26 +54526 C C27 . BCR HE . ? 0.8784 0.6175 0.6958 0.0803 -0.0189 -0.0157 102 BCR K C27 +54527 C C28 . BCR HE . ? 0.9212 0.6530 0.7341 0.0745 -0.0191 -0.0143 102 BCR K C28 +54528 C C29 . BCR HE . ? 0.9736 0.7138 0.7923 0.0690 -0.0185 -0.0138 102 BCR K C29 +54529 C C30 . BCR HE . ? 0.8804 0.6260 0.7021 0.0684 -0.0168 -0.0157 102 BCR K C30 +54530 C C35 . BCR HE . ? 1.0087 0.7294 0.7994 0.0788 -0.0005 -0.0380 102 BCR K C35 +54531 C C36 . BCR HE . ? 0.8773 0.6463 0.7070 0.0767 -0.0034 -0.0298 102 BCR K C36 +54532 C C37 . BCR HE . ? 0.9151 0.6847 0.7501 0.0728 -0.0107 -0.0222 102 BCR K C37 +54533 C C38 . BCR HE . ? 0.9360 0.6864 0.7600 0.0856 -0.0163 -0.0194 102 BCR K C38 +54534 C C39 . BCR HE . ? 0.8956 0.6525 0.7250 0.0649 -0.0164 -0.0152 102 BCR K C39 +54535 C C40 . BCR HE . ? 0.9342 0.6713 0.7500 0.0649 -0.0162 -0.0163 102 BCR K C40 +54536 O O1 A LHG IE . ? 0.7227 0.6091 0.6147 -0.0090 -0.0249 0.0304 101 LHG L O1 +54537 O O1 B LHG IE . ? 0.7251 0.6115 0.6171 -0.0089 -0.0250 0.0303 101 LHG L O1 +54538 C C1 A LHG IE . ? 0.7701 0.6557 0.6629 -0.0077 -0.0260 0.0298 101 LHG L C1 +54539 C C1 B LHG IE . ? 0.7709 0.6563 0.6635 -0.0076 -0.0261 0.0299 101 LHG L C1 +54540 C C2 A LHG IE . ? 0.7858 0.6671 0.6738 -0.0049 -0.0275 0.0304 101 LHG L C2 +54541 C C2 B LHG IE . ? 0.7859 0.6671 0.6738 -0.0047 -0.0276 0.0303 101 LHG L C2 +54542 O O2 A LHG IE . ? 0.7970 0.6811 0.6856 -0.0030 -0.0296 0.0295 101 LHG L O2 +54543 O O2 B LHG IE . ? 0.8002 0.6845 0.6892 -0.0028 -0.0298 0.0293 101 LHG L O2 +54544 C C3 A LHG IE . ? 0.8163 0.6954 0.7041 -0.0038 -0.0281 0.0301 101 LHG L C3 +54545 C C3 B LHG IE . ? 0.8172 0.6960 0.7047 -0.0036 -0.0281 0.0302 101 LHG L C3 +54546 O O3 A LHG IE . ? 0.7727 0.6482 0.6589 -0.0057 -0.0261 0.0311 101 LHG L O3 +54547 O O3 B LHG IE . ? 0.7738 0.6490 0.6597 -0.0056 -0.0260 0.0311 101 LHG L O3 +54548 P P A LHG IE . ? 0.7432 0.6178 0.6312 -0.0062 -0.0257 0.0307 101 LHG L P +54549 P P B LHG IE . ? 0.7388 0.6132 0.6266 -0.0062 -0.0256 0.0307 101 LHG L P +54550 O O4 A LHG IE . ? 0.7677 0.6419 0.6556 -0.0033 -0.0277 0.0299 101 LHG L O4 +54551 O O4 B LHG IE . ? 0.7683 0.6421 0.6559 -0.0033 -0.0276 0.0300 101 LHG L O4 +54552 O O5 A LHG IE . ? 0.7958 0.6656 0.6808 -0.0082 -0.0235 0.0319 101 LHG L O5 +54553 O O5 B LHG IE . ? 0.7960 0.6658 0.6810 -0.0084 -0.0234 0.0320 101 LHG L O5 +54554 O O6 A LHG IE . ? 0.8751 0.7560 0.7693 -0.0082 -0.0252 0.0295 101 LHG L O6 +54555 O O6 B LHG IE . ? 0.8789 0.7597 0.7730 -0.0082 -0.0252 0.0296 101 LHG L O6 +54556 C C4 A LHG IE . ? 0.8200 0.7046 0.7181 -0.0072 -0.0264 0.0281 101 LHG L C4 +54557 C C4 B LHG IE . ? 0.8211 0.7057 0.7191 -0.0072 -0.0265 0.0281 101 LHG L C4 +54558 C C5 A LHG IE . ? 0.7259 0.6158 0.6288 -0.0094 -0.0256 0.0274 101 LHG L C5 +54559 C C5 B LHG IE . ? 0.7247 0.6145 0.6275 -0.0094 -0.0257 0.0274 101 LHG L C5 +54560 C C6 A LHG IE . ? 0.7699 0.6647 0.6769 -0.0082 -0.0271 0.0259 101 LHG L C6 +54561 C C6 B LHG IE . ? 0.7697 0.6644 0.6766 -0.0083 -0.0271 0.0259 101 LHG L C6 +54562 O O7 A LHG IE . ? 0.7792 0.6681 0.6832 -0.0114 -0.0243 0.0274 101 LHG L O7 +54563 O O7 B LHG IE . ? 0.7784 0.6672 0.6822 -0.0113 -0.0243 0.0275 101 LHG L O7 +54564 C C7 A LHG IE . ? 0.7716 0.6615 0.6765 -0.0140 -0.0226 0.0279 101 LHG L C7 +54565 C C7 B LHG IE . ? 0.7714 0.6613 0.6763 -0.0140 -0.0226 0.0279 101 LHG L C7 +54566 O O9 A LHG IE . ? 0.8129 0.7054 0.7186 -0.0145 -0.0225 0.0280 101 LHG L O9 +54567 O O9 B LHG IE . ? 0.8152 0.7078 0.7210 -0.0145 -0.0225 0.0279 101 LHG L O9 +54568 C C8 A LHG IE . ? 0.8094 0.6972 0.7143 -0.0162 -0.0211 0.0282 101 LHG L C8 +54569 C C8 B LHG IE . ? 0.8092 0.6969 0.7139 -0.0161 -0.0211 0.0283 101 LHG L C8 +54570 C C9 A LHG IE . ? 0.8635 0.7558 0.7731 -0.0175 -0.0209 0.0271 101 LHG L C9 +54571 C C9 B LHG IE . ? 0.8656 0.7576 0.7749 -0.0174 -0.0210 0.0271 101 LHG L C9 +54572 C C10 A LHG IE . ? 0.7821 0.6759 0.6934 -0.0157 -0.0223 0.0260 101 LHG L C10 +54573 C C10 B LHG IE . ? 0.7814 0.6752 0.6926 -0.0155 -0.0225 0.0260 101 LHG L C10 +54574 O O8 A LHG IE . ? 0.8292 0.7282 0.7404 -0.0103 -0.0263 0.0252 101 LHG L O8 +54575 O O8 B LHG IE . ? 0.8314 0.7301 0.7424 -0.0103 -0.0262 0.0253 101 LHG L O8 +54576 C C23 A LHG IE . ? 0.8528 0.7542 0.7649 -0.0116 -0.0257 0.0254 101 LHG L C23 +54577 C C23 B LHG IE . ? 0.8546 0.7561 0.7668 -0.0116 -0.0258 0.0254 101 LHG L C23 +54578 O O10 A LHG IE . ? 0.8380 0.7379 0.7474 -0.0110 -0.0260 0.0260 101 LHG L O10 +54579 O O10 B LHG IE . ? 0.8419 0.7422 0.7515 -0.0109 -0.0261 0.0259 101 LHG L O10 +54580 C C24 A LHG IE . ? 0.7965 0.7016 0.7123 -0.0137 -0.0248 0.0248 101 LHG L C24 +54581 C C24 B LHG IE . ? 0.7985 0.7040 0.7146 -0.0136 -0.0249 0.0247 101 LHG L C24 +54582 C C11 A LHG IE . ? 0.8195 0.7187 0.7352 -0.0164 -0.0226 0.0249 101 LHG L C11 +54583 C C11 B LHG IE . ? 0.8201 0.7193 0.7358 -0.0164 -0.0225 0.0250 101 LHG L C11 +54584 C C12 A LHG IE . ? 0.8132 0.7139 0.7307 -0.0148 -0.0236 0.0238 101 LHG L C12 +54585 C C12 B LHG IE . ? 0.8142 0.7151 0.7317 -0.0148 -0.0237 0.0238 101 LHG L C12 +54586 C C13 A LHG IE . ? 0.8578 0.7638 0.7793 -0.0152 -0.0239 0.0228 101 LHG L C13 +54587 C C13 B LHG IE . ? 0.8632 0.7693 0.7845 -0.0149 -0.0241 0.0229 101 LHG L C13 +54588 C C14 A LHG IE . ? 0.7964 0.7043 0.7191 -0.0130 -0.0253 0.0219 101 LHG L C14 +54589 C C14 B LHG IE . ? 0.7966 0.7044 0.7193 -0.0128 -0.0253 0.0219 101 LHG L C14 +54590 C C15 A LHG IE . ? 0.6853 0.5949 0.6106 -0.0131 -0.0251 0.0208 101 LHG L C15 +54591 C C15 B LHG IE . ? 0.6735 0.5836 0.5991 -0.0134 -0.0250 0.0208 101 LHG L C15 +54592 C C16 A LHG IE . ? 0.8354 0.7499 0.7641 -0.0128 -0.0257 0.0198 101 LHG L C16 +54593 C C16 B LHG IE . ? 0.8451 0.7600 0.7740 -0.0130 -0.0256 0.0198 101 LHG L C16 +54594 C C17 A LHG IE . ? 0.7910 0.7073 0.7221 -0.0129 -0.0254 0.0187 101 LHG L C17 +54595 C C17 B LHG IE . ? 0.7953 0.7121 0.7267 -0.0127 -0.0255 0.0187 101 LHG L C17 +54596 C C18 A LHG IE . ? 0.7628 0.6824 0.6965 -0.0147 -0.0246 0.0183 101 LHG L C18 +54597 C C18 B LHG IE . ? 0.7623 0.6818 0.6960 -0.0147 -0.0246 0.0183 101 LHG L C18 +54598 C C19 A LHG IE . ? 0.7259 0.6482 0.6622 -0.0142 -0.0246 0.0171 101 LHG L C19 +54599 C C19 B LHG IE . ? 0.7244 0.6465 0.6606 -0.0141 -0.0246 0.0170 101 LHG L C19 +54600 C C20 A LHG IE . ? 0.7754 0.6970 0.7119 -0.0155 -0.0236 0.0168 101 LHG L C20 +54601 C C20 B LHG IE . ? 0.7776 0.6992 0.7142 -0.0154 -0.0236 0.0168 101 LHG L C20 +54602 C C21 A LHG IE . ? 0.7210 0.6442 0.6594 -0.0145 -0.0236 0.0157 101 LHG L C21 +54603 C C21 B LHG IE . ? 0.7183 0.6420 0.6570 -0.0146 -0.0235 0.0156 101 LHG L C21 +54604 C C22 A LHG IE . ? 0.8001 0.7232 0.7388 -0.0159 -0.0226 0.0153 101 LHG L C22 +54605 C C22 B LHG IE . ? 0.8015 0.7243 0.7401 -0.0158 -0.0226 0.0153 101 LHG L C22 +54606 C C25 A LHG IE . ? 0.7007 0.6072 0.6165 -0.0150 -0.0240 0.0253 101 LHG L C25 +54607 C C25 B LHG IE . ? 0.6997 0.6063 0.6156 -0.0149 -0.0241 0.0252 101 LHG L C25 +54608 C C26 A LHG IE . ? 0.8238 0.7324 0.7423 -0.0172 -0.0228 0.0251 101 LHG L C26 +54609 C C26 B LHG IE . ? 0.8233 0.7321 0.7421 -0.0171 -0.0228 0.0250 101 LHG L C26 +54610 C C27 A LHG IE . ? 0.8341 0.7463 0.7547 -0.0180 -0.0226 0.0247 101 LHG L C27 +54611 C C27 B LHG IE . ? 0.8337 0.7460 0.7545 -0.0180 -0.0226 0.0247 101 LHG L C27 +54612 C C28 A LHG IE . ? 0.9268 0.8381 0.8461 -0.0194 -0.0211 0.0256 101 LHG L C28 +54613 C C28 B LHG IE . ? 0.9296 0.8411 0.8492 -0.0195 -0.0211 0.0256 101 LHG L C28 +54614 C C29 A LHG IE . ? 0.8274 0.7424 0.7496 -0.0206 -0.0206 0.0251 101 LHG L C29 +54615 C C29 B LHG IE . ? 0.8256 0.7408 0.7480 -0.0206 -0.0207 0.0251 101 LHG L C29 +54616 C C30 A LHG IE . ? 0.8986 0.8134 0.8193 -0.0212 -0.0197 0.0259 101 LHG L C30 +54617 C C30 B LHG IE . ? 0.8996 0.8146 0.8206 -0.0212 -0.0197 0.0258 101 LHG L C30 +54618 C C31 A LHG IE . ? 0.9382 0.8564 0.8615 -0.0220 -0.0193 0.0253 101 LHG L C31 +54619 C C31 B LHG IE . ? 0.9382 0.8566 0.8617 -0.0220 -0.0194 0.0253 101 LHG L C31 +54620 C C32 A LHG IE . ? 0.8147 0.7329 0.7366 -0.0222 -0.0185 0.0259 101 LHG L C32 +54621 C C32 B LHG IE . ? 0.8152 0.7336 0.7373 -0.0223 -0.0185 0.0259 101 LHG L C32 +54622 C C33 A LHG IE . ? 0.8238 0.7453 0.7484 -0.0231 -0.0181 0.0254 101 LHG L C33 +54623 C C33 B LHG IE . ? 0.8038 0.7255 0.7282 -0.0228 -0.0183 0.0253 101 LHG L C33 +54624 C C34 A LHG IE . ? 0.8528 0.7748 0.7764 -0.0233 -0.0171 0.0258 101 LHG L C34 +54625 C C34 B LHG IE . ? 0.8520 0.7740 0.7757 -0.0233 -0.0171 0.0258 101 LHG L C34 +54626 C C35 A LHG IE . ? 0.9506 0.8755 0.8770 -0.0242 -0.0166 0.0253 101 LHG L C35 +54627 C C35 B LHG IE . ? 0.9506 0.8756 0.8771 -0.0242 -0.0166 0.0253 101 LHG L C35 +54628 C C36 A LHG IE . ? 1.0349 0.9604 0.9606 -0.0245 -0.0153 0.0258 101 LHG L C36 +54629 C C36 B LHG IE . ? 1.0365 0.9621 0.9625 -0.0246 -0.0153 0.0258 101 LHG L C36 +54630 C C37 A LHG IE . ? 1.2472 1.1757 1.1758 -0.0252 -0.0150 0.0253 101 LHG L C37 +54631 C C37 B LHG IE . ? 1.2484 1.1770 1.1771 -0.0253 -0.0150 0.0253 101 LHG L C37 +54632 C C38 A LHG IE . ? 1.2225 1.1519 1.1512 -0.0257 -0.0135 0.0257 101 LHG L C38 +54633 C C38 B LHG IE . ? 1.2242 1.1538 1.1531 -0.0258 -0.0135 0.0257 101 LHG L C38 +54634 C C1B . LMT JE . ? 1.6006 1.5008 1.4765 0.0140 -0.0557 0.0190 101 LMT M C1B +54635 C C2B . LMT JE . ? 1.4957 1.3915 1.3679 0.0162 -0.0558 0.0204 101 LMT M C2B +54636 C C3B . LMT JE . ? 1.6192 1.5082 1.4845 0.0160 -0.0534 0.0226 101 LMT M C3B +54637 C C4B . LMT JE . ? 1.6797 1.5663 1.5399 0.0164 -0.0539 0.0228 101 LMT M C4B +54638 C C5B . LMT JE . ? 1.3651 1.2566 1.2300 0.0140 -0.0535 0.0214 101 LMT M C5B +54639 C C6B . LMT JE . ? 1.5830 1.4720 1.4429 0.0140 -0.0535 0.0216 101 LMT M C6B +54640 O O1B . LMT JE . ? 1.3707 1.2730 1.2507 0.0110 -0.0529 0.0193 101 LMT M O1B +54641 O O2B . LMT JE . ? 1.4386 1.3369 1.3157 0.0155 -0.0549 0.0202 101 LMT M O2B +54642 O O3B . LMT JE . ? 1.2082 1.0928 1.0697 0.0180 -0.0536 0.0238 101 LMT M O3B +54643 O "O4'" . LMT JE . ? 1.4770 1.3580 1.3314 0.0158 -0.0514 0.0248 101 LMT M "O4'" +54644 O O5B . LMT JE . ? 1.5826 1.4799 1.4533 0.0143 -0.0560 0.0193 101 LMT M O5B +54645 O O6B . LMT JE . ? 1.3138 1.1996 1.1683 0.0168 -0.0561 0.0215 101 LMT M O6B +54646 C "C1'" . LMT JE . ? 1.3451 1.2600 1.2414 0.0035 -0.0491 0.0168 101 LMT M "C1'" +54647 C "C2'" . LMT JE . ? 1.4613 1.3768 1.3590 0.0053 -0.0504 0.0167 101 LMT M "C2'" +54648 C "C3'" . LMT JE . ? 1.4329 1.3432 1.3243 0.0078 -0.0512 0.0179 101 LMT M "C3'" +54649 C "C4'" . LMT JE . ? 1.3107 1.2189 1.1973 0.0093 -0.0531 0.0177 101 LMT M "C4'" +54650 C "C5'" . LMT JE . ? 1.5388 1.4471 1.4251 0.0069 -0.0513 0.0178 101 LMT M "C5'" +54651 C "C6'" . LMT JE . ? 1.2680 1.1735 1.1490 0.0078 -0.0524 0.0177 101 LMT M "C6'" +54652 O "O1'" . LMT JE . ? 1.0462 0.9654 0.9476 0.0015 -0.0488 0.0156 101 LMT M "O1'" +54653 O "O2'" . LMT JE . ? 1.3719 1.2881 1.2725 0.0040 -0.0484 0.0172 101 LMT M "O2'" +54654 O "O3'" . LMT JE . ? 1.4568 1.3678 1.3495 0.0098 -0.0528 0.0175 101 LMT M "O3'" +54655 O "O5'" . LMT JE . ? 1.4322 1.3456 1.3246 0.0049 -0.0512 0.0163 101 LMT M "O5'" +54656 O "O6'" . LMT JE . ? 0.9273 0.8343 0.8098 0.0056 -0.0510 0.0174 101 LMT M "O6'" +54657 C C1 . LMT JE . ? 1.0194 0.9382 0.9207 -0.0007 -0.0466 0.0161 101 LMT M C1 +54658 C C2 . LMT JE . ? 0.8579 0.7814 0.7654 -0.0026 -0.0462 0.0148 101 LMT M C2 +54659 C C3 . LMT JE . ? 0.8616 0.7853 0.7707 -0.0048 -0.0435 0.0155 101 LMT M C3 +54660 C C4 . LMT JE . ? 0.8544 0.7825 0.7690 -0.0065 -0.0435 0.0141 101 LMT M C4 +54661 C C5 . LMT JE . ? 0.9022 0.8307 0.8190 -0.0081 -0.0410 0.0149 101 LMT M C5 +54662 C C6 . LMT JE . ? 0.9017 0.8317 0.8204 -0.0102 -0.0399 0.0143 101 LMT M C6 +54663 C C7 . LMT JE . ? 1.0203 0.9510 0.9415 -0.0115 -0.0378 0.0149 101 LMT M C7 +54664 C C8 . LMT JE . ? 0.8834 0.8150 0.8059 -0.0134 -0.0365 0.0146 101 LMT M C8 +54665 C C9 . LMT JE . ? 1.1603 1.0923 1.0848 -0.0145 -0.0346 0.0153 101 LMT M C9 +54666 C C10 . LMT JE . ? 0.9982 0.9311 0.9239 -0.0162 -0.0335 0.0149 101 LMT M C10 +54667 C C11 . LMT JE . ? 1.1720 1.1043 1.0982 -0.0171 -0.0315 0.0159 101 LMT M C11 +54668 C C12 . LMT JE . ? 1.2274 1.1617 1.1570 -0.0177 -0.0310 0.0157 101 LMT M C12 +54669 C C10 . UNL KE . ? 1.0361 0.9665 0.9565 -0.0020 -0.0451 0.0142 102 UNL M C10 +54670 C C11 . UNL KE . ? 1.0511 0.9825 0.9731 -0.0046 -0.0431 0.0143 102 UNL M C11 +54671 C C12 . UNL KE . ? 0.9213 0.8541 0.8466 -0.0061 -0.0412 0.0146 102 UNL M C12 +54672 C C13 . UNL KE . ? 1.0426 0.9761 0.9690 -0.0085 -0.0394 0.0146 102 UNL M C13 +54673 C C14 . UNL KE . ? 0.9354 0.8718 0.8663 -0.0100 -0.0383 0.0140 102 UNL M C14 +54674 C C15 . UNL KE . ? 1.0884 1.0253 1.0202 -0.0122 -0.0367 0.0141 102 UNL M C15 +54675 C C16 . UNL KE . ? 0.9294 0.8695 0.8656 -0.0136 -0.0359 0.0132 102 UNL M C16 +54676 C C7 . UNL KE . ? 1.2787 1.2103 1.1953 0.0033 -0.0525 0.0118 102 UNL M C7 +54677 C C8 . UNL KE . ? 1.2324 1.1619 1.1489 0.0023 -0.0498 0.0133 102 UNL M C8 +54678 C C9 . UNL KE . ? 1.1455 1.0757 1.0635 -0.0006 -0.0475 0.0135 102 UNL M C9 +54679 CA CA . CA LE . ? 1.4293 1.2812 1.2762 -0.1128 0.1463 0.0078 301 CA O CA +54680 C C1 . GOL ME . ? 1.0363 0.9738 0.9452 -0.0530 0.1165 -0.0121 302 GOL O C1 +54681 O O1 . GOL ME . ? 1.3045 1.2497 1.2230 -0.0520 0.1127 -0.0131 302 GOL O O1 +54682 C C2 . GOL ME . ? 1.2657 1.2058 1.1751 -0.0517 0.1212 -0.0137 302 GOL O C2 +54683 O O2 . GOL ME . ? 1.1491 1.0809 1.0479 -0.0497 0.1220 -0.0130 302 GOL O O2 +54684 C C3 . GOL ME . ? 1.4812 1.4249 1.3943 -0.0558 0.1272 -0.0143 302 GOL O C3 +54685 O O3 . GOL ME . ? 1.1484 1.0838 1.0530 -0.0586 0.1287 -0.0124 302 GOL O O3 +54686 C C1 . GOL NE . ? 1.1193 1.0104 0.9881 -0.0166 -0.0303 0.0095 303 GOL O C1 +54687 O O1 . GOL NE . ? 1.4378 1.3277 1.3060 -0.0175 -0.0287 0.0090 303 GOL O O1 +54688 C C2 . GOL NE . ? 1.2839 1.1799 1.1597 -0.0176 -0.0306 0.0096 303 GOL O C2 +54689 O O2 . GOL NE . ? 1.1647 1.0616 1.0413 -0.0169 -0.0308 0.0104 303 GOL O O2 +54690 C C3 . GOL NE . ? 1.4502 1.3488 1.3283 -0.0176 -0.0334 0.0084 303 GOL O C3 +54691 O O3 . GOL NE . ? 1.3020 1.2047 1.1862 -0.0188 -0.0332 0.0084 303 GOL O O3 +54692 C C1B . LMT OE . ? 2.3447 2.2594 2.2640 -0.0327 -0.0123 0.0159 101 LMT T C1B +54693 C C2B . LMT OE . ? 2.3669 2.2795 2.2834 -0.0310 -0.0131 0.0166 101 LMT T C2B +54694 C C3B . LMT OE . ? 2.3460 2.2603 2.2631 -0.0295 -0.0140 0.0170 101 LMT T C3B +54695 C C4B . LMT OE . ? 2.4991 2.4130 2.4157 -0.0300 -0.0132 0.0170 101 LMT T C4B +54696 C C5B . LMT OE . ? 2.3654 2.2813 2.2848 -0.0316 -0.0124 0.0163 101 LMT T C5B +54697 C C6B . LMT OE . ? 2.0138 1.9294 1.9328 -0.0320 -0.0116 0.0163 101 LMT T C6B +54698 O O1B . LMT OE . ? 2.4026 2.3208 2.3253 -0.0325 -0.0132 0.0156 101 LMT T O1B +54699 O O2B . LMT OE . ? 2.0917 2.0048 2.0087 -0.0306 -0.0138 0.0165 101 LMT T O2B +54700 O O3B . LMT OE . ? 1.9882 1.9012 1.9033 -0.0280 -0.0147 0.0175 101 LMT T O3B +54701 O "O4'" . LMT OE . ? 2.1433 2.0588 2.0607 -0.0289 -0.0140 0.0172 101 LMT T "O4'" +54702 O O5B . LMT OE . ? 2.4781 2.3926 2.3971 -0.0329 -0.0116 0.0159 101 LMT T O5B +54703 O O6B . LMT OE . ? 1.7158 1.6300 1.6324 -0.0308 -0.0121 0.0168 101 LMT T O6B +54704 C "C1'" . LMT OE . ? 1.7943 1.7190 1.7244 -0.0342 -0.0146 0.0138 101 LMT T "C1'" +54705 C "C2'" . LMT OE . ? 1.7615 1.6823 1.6881 -0.0344 -0.0141 0.0140 101 LMT T "C2'" +54706 C "C3'" . LMT OE . ? 1.9127 1.8315 1.8367 -0.0333 -0.0138 0.0149 101 LMT T "C3'" +54707 C "C4'" . LMT OE . ? 2.2048 2.1243 2.1295 -0.0337 -0.0130 0.0149 101 LMT T "C4'" +54708 C "C5'" . LMT OE . ? 2.0152 1.9387 1.9437 -0.0335 -0.0136 0.0146 101 LMT T "C5'" +54709 C "C6'" . LMT OE . ? 1.6089 1.5336 1.5385 -0.0335 -0.0131 0.0146 101 LMT T "C6'" +54710 O "O1'" . LMT OE . ? 1.5714 1.4979 1.5038 -0.0352 -0.0148 0.0129 101 LMT T "O1'" +54711 O "O2'" . LMT OE . ? 1.6966 1.6170 1.6224 -0.0337 -0.0150 0.0141 101 LMT T "O2'" +54712 O "O3'" . LMT OE . ? 2.0232 1.9383 1.9438 -0.0335 -0.0133 0.0151 101 LMT T "O3'" +54713 O "O5'" . LMT OE . ? 1.8837 1.8089 1.8145 -0.0346 -0.0137 0.0138 101 LMT T "O5'" +54714 O "O6'" . LMT OE . ? 1.3274 1.2540 1.2595 -0.0347 -0.0126 0.0138 101 LMT T "O6'" +54715 C C1 . LMT OE . ? 1.3094 1.2392 1.2448 -0.0346 -0.0156 0.0127 101 LMT T C1 +54716 C C2 . LMT OE . ? 1.2049 1.1352 1.1405 -0.0342 -0.0168 0.0124 101 LMT T C2 +54717 C C3 . LMT OE . ? 1.0190 0.9525 0.9576 -0.0340 -0.0177 0.0118 101 LMT T C3 +54718 C C4 . LMT OE . ? 1.0436 0.9780 0.9823 -0.0324 -0.0183 0.0126 101 LMT T C4 +54719 C C5 . LMT OE . ? 1.1492 1.0861 1.0902 -0.0320 -0.0194 0.0122 101 LMT T C5 +54720 C C6 . LMT OE . ? 1.1424 1.0805 1.0844 -0.0309 -0.0196 0.0127 101 LMT T C6 +54721 C C7 . LMT OE . ? 1.1736 1.1130 1.1164 -0.0299 -0.0208 0.0126 101 LMT T C7 +54722 C C8 . LMT OE . ? 1.2487 1.1889 1.1922 -0.0289 -0.0209 0.0132 101 LMT T C8 +54723 C C9 . LMT OE . ? 1.2274 1.1690 1.1721 -0.0280 -0.0221 0.0130 101 LMT T C9 +54724 C C10 . LMT OE . ? 1.2752 1.2154 1.2178 -0.0270 -0.0226 0.0139 101 LMT T C10 +54725 C C11 . LMT OE . ? 1.0792 1.0184 1.0210 -0.0266 -0.0220 0.0148 101 LMT T C11 +54726 C C12 . LMT OE . ? 1.1040 1.0440 1.0469 -0.0260 -0.0222 0.0149 101 LMT T C12 +54727 C C1 . BCR PE . ? 0.8545 0.8242 0.8278 -0.0009 -0.0353 0.0022 102 BCR T C1 +54728 C C2 . BCR PE . ? 0.8824 0.8506 0.8548 0.0019 -0.0356 0.0022 102 BCR T C2 +54729 C C3 . BCR PE . ? 0.8999 0.8734 0.8772 0.0035 -0.0359 0.0003 102 BCR T C3 +54730 C C4 . BCR PE . ? 0.9387 0.9163 0.9187 0.0045 -0.0382 -0.0008 102 BCR T C4 +54731 C C5 . BCR PE . ? 0.9486 0.9277 0.9295 0.0015 -0.0379 -0.0008 102 BCR T C5 +54732 C C6 . BCR PE . ? 0.8050 0.7804 0.7827 -0.0009 -0.0366 0.0006 102 BCR T C6 +54733 C C7 . BCR PE . ? 0.7354 0.7124 0.7141 -0.0035 -0.0366 0.0003 102 BCR T C7 +54734 C C8 . BCR PE . ? 0.8684 0.8424 0.8444 -0.0058 -0.0355 0.0015 102 BCR T C8 +54735 C C9 . BCR PE . ? 0.9290 0.9046 0.9060 -0.0081 -0.0356 0.0011 102 BCR T C9 +54736 C C10 . BCR PE . ? 0.7719 0.7442 0.7459 -0.0102 -0.0345 0.0023 102 BCR T C10 +54737 C C11 . BCR PE . ? 0.8960 0.8694 0.8706 -0.0124 -0.0345 0.0020 102 BCR T C11 +54738 C C33 . BCR PE . ? 0.8097 0.7947 0.7952 0.0014 -0.0393 -0.0026 102 BCR T C33 +54739 C C31 . BCR PE . ? 0.7245 0.6894 0.6928 -0.0008 -0.0364 0.0038 102 BCR T C31 +54740 C C32 . BCR PE . ? 0.8467 0.8161 0.8206 -0.0036 -0.0327 0.0025 102 BCR T C32 +54741 C C34 . BCR PE . ? 0.7981 0.7789 0.7792 -0.0080 -0.0371 -0.0007 102 BCR T C34 +54742 C C12 . BCR PE . ? 0.8494 0.8196 0.8213 -0.0143 -0.0332 0.0031 102 BCR T C12 +54743 C C13 . BCR PE . ? 1.1119 1.0825 1.0839 -0.0165 -0.0330 0.0028 102 BCR T C13 +54744 C C14 . BCR PE . ? 0.7350 0.7027 0.7047 -0.0182 -0.0314 0.0039 102 BCR T C14 +54745 C C15 . BCR PE . ? 0.8308 0.7978 0.7998 -0.0205 -0.0305 0.0040 102 BCR T C15 +54746 C C16 . BCR PE . ? 0.7400 0.7033 0.7053 -0.0212 -0.0301 0.0053 102 BCR T C16 +54747 C C17 . BCR PE . ? 0.7393 0.7024 0.7046 -0.0235 -0.0292 0.0050 102 BCR T C17 +54748 C C18 . BCR PE . ? 0.7912 0.7509 0.7533 -0.0243 -0.0282 0.0062 102 BCR T C18 +54749 C C19 . BCR PE . ? 0.7341 0.6933 0.6961 -0.0265 -0.0272 0.0059 102 BCR T C19 +54750 C C20 . BCR PE . ? 0.6927 0.6489 0.6517 -0.0273 -0.0266 0.0068 102 BCR T C20 +54751 C C21 . BCR PE . ? 0.7187 0.6747 0.6780 -0.0294 -0.0255 0.0063 102 BCR T C21 +54752 C C22 . BCR PE . ? 0.7584 0.7115 0.7150 -0.0304 -0.0245 0.0071 102 BCR T C22 +54753 C C23 . BCR PE . ? 0.6735 0.6264 0.6304 -0.0323 -0.0235 0.0065 102 BCR T C23 +54754 C C24 . BCR PE . ? 0.6546 0.6044 0.6087 -0.0332 -0.0225 0.0072 102 BCR T C24 +54755 C C25 . BCR PE . ? 0.7866 0.7357 0.7408 -0.0353 -0.0214 0.0065 102 BCR T C25 +54756 C C26 . BCR PE . ? 0.6239 0.5744 0.5796 -0.0365 -0.0220 0.0053 102 BCR T C26 +54757 C C27 . BCR PE . ? 0.6664 0.6158 0.6220 -0.0388 -0.0207 0.0046 102 BCR T C27 +54758 C C28 . BCR PE . ? 0.7010 0.6491 0.6559 -0.0396 -0.0186 0.0052 102 BCR T C28 +54759 C C29 . BCR PE . ? 0.7329 0.6779 0.6844 -0.0382 -0.0185 0.0068 102 BCR T C29 +54760 C C30 . BCR PE . ? 0.8394 0.7860 0.7917 -0.0361 -0.0195 0.0073 102 BCR T C30 +54761 C C35 . BCR PE . ? 0.7824 0.7564 0.7569 -0.0168 -0.0347 0.0014 102 BCR T C35 +54762 C C36 . BCR PE . ? 0.7310 0.6874 0.6898 -0.0231 -0.0282 0.0077 102 BCR T C36 +54763 C C37 . BCR PE . ? 0.6309 0.5809 0.5841 -0.0294 -0.0244 0.0086 102 BCR T C37 +54764 C C38 . BCR PE . ? 0.6322 0.5851 0.5895 -0.0356 -0.0240 0.0044 102 BCR T C38 +54765 C C39 . BCR PE . ? 0.7479 0.6965 0.7024 -0.0360 -0.0186 0.0072 102 BCR T C39 +54766 C C40 . BCR PE . ? 0.6156 0.5592 0.5645 -0.0349 -0.0196 0.0087 102 BCR T C40 +54767 FE FE . HEC QE . ? 0.7781 0.5841 0.5476 -0.0025 0.0012 -0.0212 201 HEC V FE +54768 C CHA . HEC QE . ? 0.7750 0.5781 0.5343 -0.0031 0.0002 -0.0186 201 HEC V CHA +54769 C CHB . HEC QE . ? 0.8773 0.6727 0.6345 -0.0024 -0.0074 -0.0248 201 HEC V CHB +54770 C CHC . HEC QE . ? 0.8053 0.6122 0.5825 -0.0010 0.0026 -0.0238 201 HEC V CHC +54771 C CHD . HEC QE . ? 0.8020 0.6204 0.5864 -0.0034 0.0084 -0.0178 201 HEC V CHD +54772 N NA . HEC QE . ? 0.7943 0.5949 0.5546 -0.0026 -0.0027 -0.0216 201 HEC V NA +54773 C C1A . HEC QE . ? 0.9316 0.7319 0.6888 -0.0028 -0.0028 -0.0203 201 HEC V C1A +54774 C C2A . HEC QE . ? 0.8327 0.6290 0.5838 -0.0027 -0.0067 -0.0212 201 HEC V C2A +54775 C C3A . HEC QE . ? 0.9484 0.7428 0.6991 -0.0026 -0.0088 -0.0230 201 HEC V C3A +54776 C C4A . HEC QE . ? 0.8300 0.6269 0.5863 -0.0026 -0.0063 -0.0232 201 HEC V C4A +54777 C CMA . HEC QE . ? 0.7837 0.5739 0.5290 -0.0027 -0.0132 -0.0246 201 HEC V CMA +54778 C CAA . HEC QE . ? 0.7943 0.5888 0.5403 -0.0026 -0.0081 -0.0203 201 HEC V CAA +54779 C CBA . HEC QE . ? 0.7572 0.5564 0.5097 -0.0041 -0.0115 -0.0193 201 HEC V CBA +54780 C CGA . HEC QE . ? 0.8433 0.6406 0.5906 -0.0038 -0.0135 -0.0185 201 HEC V CGA +54781 O O1A . HEC QE . ? 0.9049 0.6972 0.6439 -0.0025 -0.0119 -0.0186 201 HEC V O1A +54782 O O2A . HEC QE . ? 0.8584 0.6589 0.6097 -0.0047 -0.0165 -0.0178 201 HEC V O2A +54783 N NB . HEC QE . ? 0.8025 0.6044 0.5702 -0.0020 -0.0017 -0.0237 201 HEC V NB +54784 C C1B . HEC QE . ? 0.7537 0.5510 0.5156 -0.0020 -0.0050 -0.0250 201 HEC V C1B +54785 C C2B . HEC QE . ? 0.8586 0.6531 0.6198 -0.0015 -0.0058 -0.0268 201 HEC V C2B +54786 C C3B . HEC QE . ? 0.6847 0.4822 0.4514 -0.0010 -0.0030 -0.0265 201 HEC V C3B +54787 C C4B . HEC QE . ? 0.8633 0.6657 0.6341 -0.0013 -0.0004 -0.0246 201 HEC V C4B +54788 C CMB . HEC QE . ? 0.8031 0.5923 0.5586 -0.0017 -0.0095 -0.0287 201 HEC V CMB +54789 C CAB . HEC QE . ? 0.7999 0.5958 0.5679 -0.0002 -0.0026 -0.0279 201 HEC V CAB +54790 C CBB . HEC QE . ? 0.7735 0.5630 0.5331 0.0016 -0.0015 -0.0298 201 HEC V CBB +54791 N NC . HEC QE . ? 0.7774 0.5894 0.5568 -0.0023 0.0048 -0.0208 201 HEC V NC +54792 C C1C . HEC QE . ? 0.8442 0.6557 0.6255 -0.0015 0.0049 -0.0221 201 HEC V C1C +54793 C C2C . HEC QE . ? 0.7535 0.5699 0.5416 -0.0012 0.0079 -0.0214 201 HEC V C2C +54794 C C3C . HEC QE . ? 0.8382 0.6582 0.6288 -0.0020 0.0095 -0.0197 201 HEC V C3C +54795 C C4C . HEC QE . ? 0.7710 0.5880 0.5558 -0.0026 0.0076 -0.0194 201 HEC V C4C +54796 C CMC . HEC QE . ? 0.6941 0.5114 0.4861 -0.0001 0.0087 -0.0224 201 HEC V CMC +54797 C CAC . HEC QE . ? 0.6587 0.4849 0.4569 -0.0022 0.0125 -0.0186 201 HEC V CAC +54798 C CBC . HEC QE . ? 0.6873 0.5145 0.4865 -0.0006 0.0167 -0.0193 201 HEC V CBC +54799 N ND . HEC QE . ? 0.8266 0.6368 0.5984 -0.0033 0.0039 -0.0185 201 HEC V ND +54800 C C1D . HEC QE . ? 0.7663 0.5813 0.5444 -0.0036 0.0072 -0.0175 201 HEC V C1D +54801 C C2D . HEC QE . ? 0.7285 0.5443 0.5052 -0.0041 0.0090 -0.0159 201 HEC V C2D +54802 C C3D . HEC QE . ? 0.8229 0.6337 0.5917 -0.0039 0.0064 -0.0161 201 HEC V C3D +54803 C C4D . HEC QE . ? 0.8193 0.6270 0.5855 -0.0034 0.0033 -0.0178 201 HEC V C4D +54804 C CMD . HEC QE . ? 0.6474 0.4679 0.4295 -0.0048 0.0126 -0.0145 201 HEC V CMD +54805 C CAD . HEC QE . ? 0.7853 0.5941 0.5491 -0.0041 0.0071 -0.0148 201 HEC V CAD +54806 C CBD . HEC QE . ? 0.7190 0.5231 0.4753 -0.0027 0.0106 -0.0155 201 HEC V CBD +54807 C CGD . HEC QE . ? 0.8902 0.6915 0.6406 -0.0028 0.0116 -0.0142 201 HEC V CGD +54808 O O1D . HEC QE . ? 0.8250 0.6225 0.5694 -0.0024 0.0085 -0.0143 201 HEC V O1D +54809 O O2D . HEC QE . ? 0.8632 0.6662 0.6149 -0.0032 0.0156 -0.0131 201 HEC V O2D +54810 C C1 . HTG RE . ? 1.7169 1.5034 1.4402 0.0146 0.0619 -0.0285 202 HTG V C1 +54811 C C2 . HTG RE . ? 1.7045 1.4986 1.4394 0.0147 0.0617 -0.0287 202 HTG V C2 +54812 O O2 . HTG RE . ? 1.8070 1.6058 1.5463 0.0152 0.0672 -0.0290 202 HTG V O2 +54813 C C3 . HTG RE . ? 1.6809 1.4725 1.4152 0.0165 0.0586 -0.0305 202 HTG V C3 +54814 O O3 . HTG RE . ? 1.4783 1.2765 1.2228 0.0169 0.0585 -0.0308 202 HTG V O3 +54815 C C4 . HTG RE . ? 1.5621 1.3496 1.2928 0.0156 0.0527 -0.0302 202 HTG V C4 +54816 O O4 . HTG RE . ? 1.2232 1.0078 0.9529 0.0171 0.0497 -0.0319 202 HTG V O4 +54817 C C5 . HTG RE . ? 1.6280 1.4087 1.3481 0.0152 0.0525 -0.0298 202 HTG V C5 +54818 O O5 . HTG RE . ? 1.7331 1.5154 1.4525 0.0140 0.0563 -0.0283 202 HTG V O5 +54819 C C6 . HTG RE . ? 1.2245 1.0029 0.9429 0.0139 0.0466 -0.0292 202 HTG V C6 +54820 O O6 . HTG RE . ? 1.5820 1.3549 1.2911 0.0135 0.0465 -0.0285 202 HTG V O6 +54821 C C1 A GOL SE . ? 1.0717 0.9336 0.9229 -0.0168 -0.0122 -0.0078 203 GOL V C1 +54822 C C1 B GOL SE . ? 1.0799 0.9416 0.9306 -0.0167 -0.0120 -0.0078 203 GOL V C1 +54823 O O1 A GOL SE . ? 0.8923 0.7577 0.7484 -0.0166 -0.0099 -0.0070 203 GOL V O1 +54824 O O1 B GOL SE . ? 0.9001 0.7653 0.7557 -0.0165 -0.0097 -0.0070 203 GOL V O1 +54825 C C2 A GOL SE . ? 1.0741 0.9339 0.9198 -0.0162 -0.0112 -0.0076 203 GOL V C2 +54826 C C2 B GOL SE . ? 1.0775 0.9372 0.9229 -0.0162 -0.0110 -0.0076 203 GOL V C2 +54827 O O2 A GOL SE . ? 1.0493 0.9063 0.8911 -0.0150 -0.0086 -0.0084 203 GOL V O2 +54828 O O2 B GOL SE . ? 1.0494 0.9066 0.8912 -0.0150 -0.0083 -0.0082 203 GOL V O2 +54829 C C3 A GOL SE . ? 0.9954 0.8526 0.8372 -0.0167 -0.0145 -0.0082 203 GOL V C3 +54830 C C3 B GOL SE . ? 0.9978 0.8546 0.8389 -0.0165 -0.0143 -0.0083 203 GOL V C3 +54831 O O3 A GOL SE . ? 0.8678 0.7267 0.7099 -0.0171 -0.0153 -0.0071 203 GOL V O3 +54832 O O3 B GOL SE . ? 0.8662 0.7248 0.7079 -0.0171 -0.0155 -0.0072 203 GOL V O3 +54833 C C10 . UNL TE . ? 1.2164 1.1131 1.1821 -0.1216 -0.0315 -0.0190 101 UNL X C10 +54834 C C11 . UNL TE . ? 1.2419 1.1298 1.2036 -0.1244 -0.0286 -0.0180 101 UNL X C11 +54835 C C12 . UNL TE . ? 1.0359 0.9216 0.9955 -0.1224 -0.0255 -0.0149 101 UNL X C12 +54836 C C13 . UNL TE . ? 0.9677 0.8447 0.9195 -0.1186 -0.0254 -0.0136 101 UNL X C13 +54837 C C14 . UNL TE . ? 0.8833 0.7537 0.8311 -0.1185 -0.0221 -0.0111 101 UNL X C14 +54838 C C15 . UNL TE . ? 0.8898 0.7665 0.8412 -0.1170 -0.0203 -0.0091 101 UNL X C15 +54839 C C16 . UNL TE . ? 0.9309 0.8008 0.8773 -0.1154 -0.0175 -0.0065 101 UNL X C16 +54840 C C17 . UNL TE . ? 0.9476 0.8239 0.8976 -0.1139 -0.0159 -0.0047 101 UNL X C17 +54841 C C18 . UNL TE . ? 0.9150 0.7851 0.8601 -0.1123 -0.0132 -0.0020 101 UNL X C18 +54842 C C19 . UNL TE . ? 0.8886 0.7652 0.8370 -0.1101 -0.0120 -0.0004 101 UNL X C19 +54843 C C20 . UNL TE . ? 0.9415 0.8130 0.8863 -0.1100 -0.0089 0.0021 101 UNL X C20 +54844 C C21 . UNL TE . ? 0.9915 0.8699 0.9401 -0.1087 -0.0076 0.0035 101 UNL X C21 +54845 C C22 . UNL TE . ? 1.1520 1.0247 1.0962 -0.1079 -0.0047 0.0060 101 UNL X C22 +54846 C C7 . UNL TE . ? 1.4595 1.3698 1.4362 -0.1270 -0.0380 -0.0257 101 UNL X C7 +54847 C C8 . UNL TE . ? 1.4170 1.3160 1.3864 -0.1273 -0.0358 -0.0242 101 UNL X C8 +54848 C C9 . UNL TE . ? 1.2127 1.1088 1.1774 -0.1219 -0.0350 -0.0217 101 UNL X C9 +54849 O O7 . UNL TE . ? 1.4588 1.3729 1.4388 -0.1295 -0.0412 -0.0288 101 UNL X O7 +54850 O O9 . UNL TE . ? 1.3974 1.3138 1.3774 -0.1247 -0.0372 -0.0243 101 UNL X O9 +54851 C C1 . BCR UE . ? 1.2420 0.9419 1.0174 0.0602 -0.0041 -0.0378 101 BCR Y C1 +54852 C C2 . BCR UE . ? 1.0782 0.7753 0.8492 0.0617 -0.0026 -0.0402 101 BCR Y C2 +54853 C C3 . BCR UE . ? 1.1259 0.8312 0.9007 0.0588 -0.0016 -0.0404 101 BCR Y C3 +54854 C C4 . BCR UE . ? 0.9681 0.6854 0.7513 0.0609 -0.0002 -0.0396 101 BCR Y C4 +54855 C C5 . BCR UE . ? 1.0608 0.7811 0.8485 0.0612 -0.0015 -0.0375 101 BCR Y C5 +54856 C C6 . BCR UE . ? 1.0582 0.7708 0.8424 0.0610 -0.0033 -0.0366 101 BCR Y C6 +54857 C C7 . BCR UE . ? 1.0662 0.7832 0.8555 0.0615 -0.0043 -0.0346 101 BCR Y C7 +54858 C C8 . BCR UE . ? 0.9557 0.6695 0.7444 0.0578 -0.0061 -0.0329 101 BCR Y C8 +54859 C C9 . BCR UE . ? 0.9723 0.6897 0.7654 0.0578 -0.0073 -0.0307 101 BCR Y C9 +54860 C C10 . BCR UE . ? 0.9698 0.6832 0.7615 0.0536 -0.0089 -0.0293 101 BCR Y C10 +54861 C C11 . BCR UE . ? 0.9992 0.7152 0.7944 0.0528 -0.0101 -0.0270 101 BCR Y C11 +54862 C C33 . BCR UE . ? 1.1710 0.9034 0.9674 0.0618 -0.0007 -0.0363 101 BCR Y C33 +54863 C C31 . BCR UE . ? 1.0720 0.7647 0.8439 0.0641 -0.0048 -0.0376 101 BCR Y C31 +54864 C C32 . BCR UE . ? 1.3467 1.0436 1.1207 0.0539 -0.0059 -0.0368 101 BCR Y C32 +54865 C C34 . BCR UE . ? 0.9548 0.6800 0.7535 0.0623 -0.0066 -0.0303 101 BCR Y C34 +54866 C C12 . BCR UE . ? 0.9494 0.6619 0.7432 0.0479 -0.0114 -0.0258 101 BCR Y C12 +54867 C C13 . BCR UE . ? 1.0450 0.7598 0.8420 0.0462 -0.0125 -0.0235 101 BCR Y C13 +54868 C C14 . BCR UE . ? 0.8890 0.5998 0.6842 0.0411 -0.0136 -0.0225 101 BCR Y C14 +54869 C C15 . BCR UE . ? 0.9504 0.6636 0.7487 0.0391 -0.0146 -0.0202 101 BCR Y C15 +54870 C C16 . BCR UE . ? 0.8728 0.5841 0.6706 0.0337 -0.0154 -0.0193 101 BCR Y C16 +54871 C C17 . BCR UE . ? 0.9518 0.6661 0.7528 0.0318 -0.0162 -0.0170 101 BCR Y C17 +54872 C C18 . BCR UE . ? 0.9749 0.6879 0.7760 0.0264 -0.0168 -0.0161 101 BCR Y C18 +54873 C C19 . BCR UE . ? 0.9191 0.6354 0.7235 0.0248 -0.0174 -0.0138 101 BCR Y C19 +54874 C C20 . BCR UE . ? 0.9487 0.6659 0.7545 0.0197 -0.0179 -0.0128 101 BCR Y C20 +54875 C C21 . BCR UE . ? 0.9094 0.6298 0.7183 0.0189 -0.0184 -0.0106 101 BCR Y C21 +54876 C C22 . BCR UE . ? 1.1161 0.8367 0.9261 0.0143 -0.0188 -0.0092 101 BCR Y C22 +54877 C C23 . BCR UE . ? 0.9363 0.6597 0.7487 0.0146 -0.0191 -0.0073 101 BCR Y C23 +54878 C C24 . BCR UE . ? 0.9503 0.6700 0.7613 0.0112 -0.0194 -0.0058 101 BCR Y C24 +54879 C C25 . BCR UE . ? 0.9974 0.7192 0.8102 0.0116 -0.0196 -0.0037 101 BCR Y C25 +54880 C C26 . BCR UE . ? 1.1065 0.8222 0.9153 0.0151 -0.0198 -0.0028 101 BCR Y C26 +54881 C C27 . BCR UE . ? 1.0514 0.7685 0.8613 0.0158 -0.0201 -0.0007 101 BCR Y C27 +54882 C C28 . BCR UE . ? 1.2605 0.9890 1.0779 0.0141 -0.0202 0.0000 101 BCR Y C28 +54883 C C29 . BCR UE . ? 1.0538 0.7844 0.8732 0.0084 -0.0199 -0.0003 101 BCR Y C29 +54884 C C30 . BCR UE . ? 1.0909 0.8213 0.9098 0.0081 -0.0197 -0.0025 101 BCR Y C30 +54885 C C35 . BCR UE . ? 0.9527 0.6748 0.7550 0.0498 -0.0125 -0.0225 101 BCR Y C35 +54886 C C36 . BCR UE . ? 0.9111 0.6194 0.7087 0.0225 -0.0170 -0.0174 101 BCR Y C36 +54887 C C37 . BCR UE . ? 0.8523 0.5697 0.6606 0.0090 -0.0190 -0.0099 101 BCR Y C37 +54888 C C38 . BCR UE . ? 0.9884 0.6952 0.7910 0.0187 -0.0197 -0.0040 101 BCR Y C38 +54889 C C39 . BCR UE . ? 1.0246 0.7655 0.8496 0.0098 -0.0196 -0.0032 101 BCR Y C39 +54890 C C40 . BCR UE . ? 1.0774 0.8056 0.8956 0.0024 -0.0196 -0.0028 101 BCR Y C40 +54891 FE FE A FE2 VE . ? 0.8216 0.6690 0.6108 0.0071 -0.0423 0.0014 401 FE2 a FE +54892 FE FE B FE2 VE . ? 0.8215 0.6689 0.6106 0.0071 -0.0423 0.0015 401 FE2 a FE +54893 CL CL A CL WE . ? 0.7386 0.5821 0.5793 0.0169 -0.0148 0.0113 402 CL a CL +54894 CL CL B CL WE . ? 0.7385 0.5822 0.5793 0.0169 -0.0147 0.0113 402 CL a CL +54895 CL CL A CL XE . ? 0.8204 0.6291 0.6221 0.0627 -0.0149 0.0083 403 CL a CL +54896 CL CL B CL XE . ? 0.8192 0.6282 0.6211 0.0627 -0.0149 0.0083 403 CL a CL +54897 MG MG A CLA YE . ? 0.7191 0.5550 0.5455 -0.0015 -0.0201 0.0005 404 CLA a MG +54898 MG MG B CLA YE . ? 0.7196 0.5556 0.5461 -0.0016 -0.0201 0.0005 404 CLA a MG +54899 C CHA A CLA YE . ? 0.6988 0.5428 0.5269 0.0052 -0.0165 0.0027 404 CLA a CHA +54900 C CHA B CLA YE . ? 0.6986 0.5427 0.5267 0.0051 -0.0166 0.0026 404 CLA a CHA +54901 C CHB A CLA YE . ? 0.6656 0.5074 0.4941 -0.0044 -0.0228 -0.0004 404 CLA a CHB +54902 C CHB B CLA YE . ? 0.6637 0.5055 0.4923 -0.0045 -0.0229 -0.0005 404 CLA a CHB +54903 C CHC A CLA YE . ? 0.6909 0.5244 0.5212 -0.0093 -0.0226 -0.0006 404 CLA a CHC +54904 C CHC B CLA YE . ? 0.6916 0.5251 0.5220 -0.0094 -0.0226 -0.0007 404 CLA a CHC +54905 C CHD A CLA YE . ? 0.6577 0.4895 0.4832 0.0024 -0.0175 0.0021 404 CLA a CHD +54906 C CHD B CLA YE . ? 0.6567 0.4885 0.4822 0.0024 -0.0175 0.0021 404 CLA a CHD +54907 N NA A CLA YE . ? 0.6998 0.5416 0.5279 0.0000 -0.0197 0.0012 404 CLA a NA +54908 N NA B CLA YE . ? 0.7004 0.5422 0.5285 -0.0001 -0.0198 0.0011 404 CLA a NA +54909 C C1A A CLA YE . ? 0.6979 0.5416 0.5256 0.0027 -0.0182 0.0019 404 CLA a C1A +54910 C C1A B CLA YE . ? 0.6976 0.5413 0.5254 0.0026 -0.0183 0.0019 404 CLA a C1A +54911 C C2A A CLA YE . ? 0.7089 0.5554 0.5367 0.0031 -0.0182 0.0020 404 CLA a C2A +54912 C C2A B CLA YE . ? 0.7096 0.5558 0.5372 0.0030 -0.0183 0.0020 404 CLA a C2A +54913 C C3A A CLA YE . ? 0.7722 0.6174 0.5994 0.0003 -0.0204 0.0010 404 CLA a C3A +54914 C C3A B CLA YE . ? 0.7739 0.6190 0.6011 0.0002 -0.0205 0.0009 404 CLA a C3A +54915 C C4A A CLA YE . ? 0.7561 0.5988 0.5841 -0.0015 -0.0210 0.0006 404 CLA a C4A +54916 C C4A B CLA YE . ? 0.7581 0.6008 0.5862 -0.0016 -0.0211 0.0005 404 CLA a C4A +54917 C CMA A CLA YE . ? 0.7158 0.5554 0.5365 0.0013 -0.0209 -0.0005 404 CLA a CMA +54918 C CMA B CLA YE . ? 0.7171 0.5566 0.5379 0.0010 -0.0210 -0.0005 404 CLA a CMA +54919 C CAA A CLA YE . ? 0.7783 0.6312 0.6122 0.0023 -0.0178 0.0035 404 CLA a CAA +54920 C CAA B CLA YE . ? 0.7811 0.6340 0.6149 0.0024 -0.0178 0.0035 404 CLA a CAA +54921 C CBA A CLA YE . ? 0.8503 0.7070 0.6855 0.0023 -0.0177 0.0041 404 CLA a CBA +54922 C CBA B CLA YE . ? 0.8561 0.7124 0.6909 0.0023 -0.0178 0.0040 404 CLA a CBA +54923 C CGA A CLA YE . ? 0.8022 0.6601 0.6362 0.0052 -0.0156 0.0047 404 CLA a CGA +54924 C CGA B CLA YE . ? 0.8039 0.6616 0.6376 0.0052 -0.0157 0.0047 404 CLA a CGA +54925 O O1A A CLA YE . ? 0.9204 0.7779 0.7541 0.0071 -0.0142 0.0050 404 CLA a O1A +54926 O O1A B CLA YE . ? 0.9272 0.7845 0.7607 0.0071 -0.0143 0.0049 404 CLA a O1A +54927 O O2A A CLA YE . ? 0.8012 0.6606 0.6340 0.0059 -0.0151 0.0051 404 CLA a O2A +54928 O O2A B CLA YE . ? 0.8036 0.6631 0.6365 0.0058 -0.0152 0.0051 404 CLA a O2A +54929 N NB A CLA YE . ? 0.7197 0.5575 0.5491 -0.0061 -0.0225 -0.0004 404 CLA a NB +54930 N NB B CLA YE . ? 0.7205 0.5582 0.5499 -0.0062 -0.0225 -0.0005 404 CLA a NB +54931 C C1B A CLA YE . ? 0.6846 0.5244 0.5142 -0.0068 -0.0235 -0.0009 404 CLA a C1B +54932 C C1B B CLA YE . ? 0.6850 0.5247 0.5146 -0.0069 -0.0236 -0.0009 404 CLA a C1B +54933 C C2B A CLA YE . ? 0.6403 0.4806 0.4718 -0.0101 -0.0254 -0.0018 404 CLA a C2B +54934 C C2B B CLA YE . ? 0.6385 0.4788 0.4701 -0.0103 -0.0254 -0.0019 404 CLA a C2B +54935 C C3B A CLA YE . ? 0.6495 0.4874 0.4817 -0.0117 -0.0251 -0.0019 404 CLA a C3B +54936 C C3B B CLA YE . ? 0.6501 0.4881 0.4825 -0.0118 -0.0251 -0.0019 404 CLA a C3B +54937 C C4B A CLA YE . ? 0.6579 0.4943 0.4885 -0.0089 -0.0233 -0.0009 404 CLA a C4B +54938 C C4B B CLA YE . ? 0.6576 0.4940 0.4883 -0.0090 -0.0234 -0.0010 404 CLA a C4B +54939 C CMB A CLA YE . ? 0.7467 0.5892 0.5789 -0.0113 -0.0271 -0.0026 404 CLA a CMB +54940 C CMB B CLA YE . ? 0.7498 0.5924 0.5822 -0.0115 -0.0271 -0.0026 404 CLA a CMB +54941 C CAB A CLA YE . ? 0.6467 0.4839 0.4808 -0.0152 -0.0262 -0.0027 404 CLA a CAB +54942 C CAB B CLA YE . ? 0.6458 0.4830 0.4801 -0.0153 -0.0262 -0.0027 404 CLA a CAB +54943 C CBB A CLA YE . ? 0.6925 0.5321 0.5290 -0.0175 -0.0278 -0.0035 404 CLA a CBB +54944 C CBB B CLA YE . ? 0.6929 0.5328 0.5297 -0.0176 -0.0277 -0.0035 404 CLA a CBB +54945 N NC A CLA YE . ? 0.6960 0.5292 0.5236 -0.0031 -0.0200 0.0008 404 CLA a NC +54946 N NC B CLA YE . ? 0.6971 0.5303 0.5248 -0.0032 -0.0200 0.0008 404 CLA a NC +54947 C C1C A CLA YE . ? 0.6794 0.5114 0.5081 -0.0064 -0.0211 0.0003 404 CLA a C1C +54948 C C1C B CLA YE . ? 0.6796 0.5116 0.5084 -0.0065 -0.0211 0.0003 404 CLA a C1C +54949 C C2C A CLA YE . ? 0.6833 0.5123 0.5117 -0.0071 -0.0206 0.0006 404 CLA a C2C +54950 C C2C B CLA YE . ? 0.6840 0.5130 0.5124 -0.0072 -0.0206 0.0006 404 CLA a C2C +54951 C C3C A CLA YE . ? 0.6667 0.4951 0.4935 -0.0035 -0.0192 0.0014 404 CLA a C3C +54952 C C3C B CLA YE . ? 0.6664 0.4947 0.4932 -0.0036 -0.0193 0.0014 404 CLA a C3C +54953 C C4C A CLA YE . ? 0.6958 0.5272 0.5226 -0.0014 -0.0189 0.0015 404 CLA a C4C +54954 C C4C B CLA YE . ? 0.6970 0.5283 0.5237 -0.0014 -0.0189 0.0015 404 CLA a C4C +54955 C CMC A CLA YE . ? 0.6624 0.4895 0.4918 -0.0106 -0.0213 0.0001 404 CLA a CMC +54956 C CMC B CLA YE . ? 0.6623 0.4894 0.4917 -0.0106 -0.0213 0.0001 404 CLA a CMC +54957 C CAC A CLA YE . ? 0.6833 0.5086 0.5087 -0.0022 -0.0184 0.0020 404 CLA a CAC +54958 C CAC B CLA YE . ? 0.6828 0.5080 0.5082 -0.0023 -0.0184 0.0020 404 CLA a CAC +54959 C CBC A CLA YE . ? 0.6771 0.5067 0.5076 -0.0037 -0.0183 0.0032 404 CLA a CBC +54960 C CBC B CLA YE . ? 0.6867 0.5172 0.5175 -0.0032 -0.0182 0.0033 404 CLA a CBC +54961 N ND A CLA YE . ? 0.6935 0.5310 0.5204 0.0027 -0.0177 0.0020 404 CLA a ND +54962 N ND B CLA YE . ? 0.6941 0.5317 0.5211 0.0026 -0.0178 0.0019 404 CLA a ND +54963 C C1D A CLA YE . ? 0.6907 0.5266 0.5173 0.0042 -0.0168 0.0025 404 CLA a C1D +54964 C C1D B CLA YE . ? 0.6915 0.5275 0.5182 0.0042 -0.0169 0.0025 404 CLA a C1D +54965 C C2D A CLA YE . ? 0.7288 0.5674 0.5562 0.0076 -0.0153 0.0033 404 CLA a C2D +54966 C C2D B CLA YE . ? 0.7309 0.5697 0.5584 0.0076 -0.0153 0.0033 404 CLA a C2D +54967 C C3D A CLA YE . ? 0.6551 0.4973 0.4834 0.0079 -0.0150 0.0034 404 CLA a C3D +54968 C C3D B CLA YE . ? 0.6546 0.4969 0.4829 0.0078 -0.0151 0.0034 404 CLA a C3D +54969 C C4D A CLA YE . ? 0.6783 0.5195 0.5062 0.0050 -0.0166 0.0026 404 CLA a C4D +54970 C C4D B CLA YE . ? 0.6775 0.5187 0.5054 0.0049 -0.0166 0.0026 404 CLA a C4D +54971 C CMD A CLA YE . ? 0.6608 0.4993 0.4882 0.0104 -0.0141 0.0040 404 CLA a CMD +54972 C CMD B CLA YE . ? 0.6610 0.4998 0.4887 0.0103 -0.0141 0.0040 404 CLA a CMD +54973 C CAD A CLA YE . ? 0.7000 0.5462 0.5293 0.0099 -0.0138 0.0039 404 CLA a CAD +54974 C CAD B CLA YE . ? 0.7004 0.5468 0.5299 0.0098 -0.0138 0.0039 404 CLA a CAD +54975 O OBD A CLA YE . ? 0.7348 0.5835 0.5652 0.0126 -0.0123 0.0046 404 CLA a OBD +54976 O OBD B CLA YE . ? 0.7358 0.5846 0.5663 0.0125 -0.0123 0.0046 404 CLA a OBD +54977 C CBD A CLA YE . ? 0.6943 0.5416 0.5233 0.0082 -0.0146 0.0036 404 CLA a CBD +54978 C CBD B CLA YE . ? 0.6932 0.5405 0.5223 0.0081 -0.0147 0.0036 404 CLA a CBD +54979 C CGD A CLA YE . ? 0.7164 0.5614 0.5408 0.0105 -0.0138 0.0030 404 CLA a CGD +54980 C CGD B CLA YE . ? 0.7168 0.5617 0.5412 0.0104 -0.0139 0.0029 404 CLA a CGD +54981 O O1D A CLA YE . ? 0.7212 0.5609 0.5405 0.0107 -0.0144 0.0017 404 CLA a O1D +54982 O O1D B CLA YE . ? 0.7228 0.5623 0.5421 0.0106 -0.0145 0.0017 404 CLA a O1D +54983 O O2D A CLA YE . ? 0.7343 0.5839 0.5606 0.0125 -0.0120 0.0039 404 CLA a O2D +54984 O O2D B CLA YE . ? 0.7366 0.5859 0.5626 0.0124 -0.0121 0.0038 404 CLA a O2D +54985 C CED A CLA YE . ? 0.7521 0.5994 0.5739 0.0146 -0.0111 0.0033 404 CLA a CED +54986 C CED B CLA YE . ? 0.7530 0.6002 0.5746 0.0144 -0.0112 0.0032 404 CLA a CED +54987 C C1 A CLA YE . ? 0.7969 0.6576 0.6289 0.0085 -0.0129 0.0057 404 CLA a C1 +54988 C C1 B CLA YE . ? 0.7994 0.6603 0.6314 0.0084 -0.0129 0.0057 404 CLA a C1 +54989 C C2 A CLA YE . ? 0.7469 0.6132 0.5832 0.0081 -0.0119 0.0071 404 CLA a C2 +54990 C C2 B CLA YE . ? 0.7464 0.6129 0.5829 0.0081 -0.0119 0.0072 404 CLA a C2 +54991 C C3 A CLA YE . ? 0.7411 0.6115 0.5821 0.0086 -0.0106 0.0081 404 CLA a C3 +54992 C C3 B CLA YE . ? 0.7418 0.6123 0.5828 0.0086 -0.0106 0.0082 404 CLA a C3 +54993 C C4 A CLA YE . ? 0.6367 0.5062 0.4783 0.0097 -0.0102 0.0079 404 CLA a C4 +54994 C C4 B CLA YE . ? 0.6347 0.5044 0.4764 0.0097 -0.0101 0.0080 404 CLA a C4 +54995 C C5 A CLA YE . ? 0.6794 0.5551 0.5246 0.0080 -0.0097 0.0095 404 CLA a C5 +54996 C C5 B CLA YE . ? 0.6783 0.5542 0.5236 0.0080 -0.0097 0.0095 404 CLA a C5 +54997 C C6 A CLA YE . ? 0.6346 0.5130 0.4803 0.0101 -0.0071 0.0102 404 CLA a C6 +54998 C C6 B CLA YE . ? 0.6338 0.5123 0.4795 0.0101 -0.0071 0.0102 404 CLA a C6 +54999 C C7 A CLA YE . ? 0.6964 0.5793 0.5459 0.0089 -0.0065 0.0114 404 CLA a C7 +55000 C C7 B CLA YE . ? 0.6962 0.5792 0.5458 0.0089 -0.0065 0.0115 404 CLA a C7 +55001 C C8 A CLA YE . ? 0.7144 0.6012 0.5661 0.0104 -0.0039 0.0123 404 CLA a C8 +55002 C C8 B CLA YE . ? 0.7152 0.6020 0.5669 0.0105 -0.0038 0.0123 404 CLA a C8 +55003 C C9 A CLA YE . ? 0.7132 0.5976 0.5601 0.0126 -0.0022 0.0119 404 CLA a C9 +55004 C C9 B CLA YE . ? 0.7132 0.5975 0.5599 0.0126 -0.0022 0.0119 404 CLA a C9 +55005 C C10 A CLA YE . ? 0.7337 0.6245 0.5890 0.0089 -0.0034 0.0135 404 CLA a C10 +55006 C C10 B CLA YE . ? 0.7348 0.6257 0.5902 0.0090 -0.0033 0.0135 404 CLA a C10 +55007 C C11 A CLA YE . ? 0.6743 0.5683 0.5351 0.0072 -0.0044 0.0140 404 CLA a C11 +55008 C C11 B CLA YE . ? 0.6750 0.5688 0.5357 0.0071 -0.0046 0.0140 404 CLA a C11 +55009 C C12 A CLA YE . ? 0.6680 0.5657 0.5323 0.0057 -0.0040 0.0151 404 CLA a C12 +55010 C C12 B CLA YE . ? 0.6661 0.5639 0.5306 0.0057 -0.0040 0.0152 404 CLA a C12 +55011 C C13 A CLA YE . ? 0.7521 0.6528 0.6216 0.0040 -0.0051 0.0155 404 CLA a C13 +55012 C C13 B CLA YE . ? 0.7535 0.6543 0.6232 0.0040 -0.0051 0.0156 404 CLA a C13 +55013 C C14 A CLA YE . ? 0.6550 0.5584 0.5279 0.0050 -0.0042 0.0156 404 CLA a C14 +55014 C C14 B CLA YE . ? 0.6525 0.5562 0.5256 0.0051 -0.0040 0.0156 404 CLA a C14 +55015 C C15 A CLA YE . ? 0.8019 0.7055 0.6743 0.0024 -0.0049 0.0166 404 CLA a C15 +55016 C C15 B CLA YE . ? 0.8030 0.7068 0.6757 0.0024 -0.0049 0.0166 404 CLA a C15 +55017 C C16 A CLA YE . ? 0.7409 0.6421 0.6104 0.0014 -0.0061 0.0166 404 CLA a C16 +55018 C C16 B CLA YE . ? 0.7377 0.6389 0.6074 0.0014 -0.0062 0.0166 404 CLA a C16 +55019 C C17 A CLA YE . ? 0.9226 0.8263 0.7940 0.0005 -0.0051 0.0178 404 CLA a C17 +55020 C C17 B CLA YE . ? 0.9243 0.8280 0.7957 0.0005 -0.0052 0.0178 404 CLA a C17 +55021 C C18 A CLA YE . ? 1.0156 0.9207 0.8903 -0.0015 -0.0069 0.0181 404 CLA a C18 +55022 C C18 B CLA YE . ? 1.0184 0.9232 0.8928 -0.0015 -0.0070 0.0181 404 CLA a C18 +55023 C C19 A CLA YE . ? 1.0323 0.9393 0.9083 -0.0023 -0.0059 0.0192 404 CLA a C19 +55024 C C19 B CLA YE . ? 1.0333 0.9401 0.9091 -0.0024 -0.0061 0.0192 404 CLA a C19 +55025 C C20 A CLA YE . ? 1.0630 0.9649 0.9351 -0.0021 -0.0093 0.0173 404 CLA a C20 +55026 C C20 B CLA YE . ? 1.0730 0.9744 0.9443 -0.0020 -0.0093 0.0172 404 CLA a C20 +55027 MG MG A CLA ZE . ? 0.7600 0.5772 0.5776 -0.0260 -0.0362 -0.0144 405 CLA a MG +55028 MG MG B CLA ZE . ? 0.7604 0.5778 0.5782 -0.0261 -0.0363 -0.0144 405 CLA a MG +55029 C CHA A CLA ZE . ? 0.7721 0.5815 0.5775 -0.0172 -0.0333 -0.0131 405 CLA a CHA +55030 C CHA B CLA ZE . ? 0.7724 0.5818 0.5778 -0.0173 -0.0333 -0.0131 405 CLA a CHA +55031 C CHB A CLA ZE . ? 0.7111 0.5225 0.5205 -0.0277 -0.0413 -0.0193 405 CLA a CHB +55032 C CHB B CLA ZE . ? 0.7085 0.5200 0.5180 -0.0278 -0.0414 -0.0193 405 CLA a CHB +55033 C CHC A CLA ZE . ? 0.7179 0.5463 0.5494 -0.0337 -0.0388 -0.0155 405 CLA a CHC +55034 C CHC B CLA ZE . ? 0.7172 0.5456 0.5489 -0.0338 -0.0389 -0.0156 405 CLA a CHC +55035 C CHD A CLA ZE . ? 0.6616 0.4873 0.4881 -0.0229 -0.0315 -0.0091 405 CLA a CHD +55036 C CHD B CLA ZE . ? 0.6600 0.4856 0.4865 -0.0230 -0.0315 -0.0091 405 CLA a CHD +55037 N NA A CLA ZE . ? 0.8398 0.6512 0.6487 -0.0230 -0.0371 -0.0158 405 CLA a NA +55038 N NA B CLA ZE . ? 0.8427 0.6542 0.6517 -0.0231 -0.0372 -0.0158 405 CLA a NA +55039 C C1A A CLA ZE . ? 0.7484 0.5569 0.5529 -0.0197 -0.0358 -0.0151 405 CLA a C1A +55040 C C1A B CLA ZE . ? 0.7478 0.5561 0.5523 -0.0198 -0.0358 -0.0152 405 CLA a C1A +55041 C C2A A CLA ZE . ? 0.8585 0.6623 0.6566 -0.0183 -0.0368 -0.0166 405 CLA a C2A +55042 C C2A B CLA ZE . ? 0.8609 0.6646 0.6590 -0.0185 -0.0368 -0.0167 405 CLA a C2A +55043 C C3A A CLA ZE . ? 0.8484 0.6525 0.6476 -0.0218 -0.0394 -0.0187 405 CLA a C3A +55044 C C3A B CLA ZE . ? 0.8499 0.6539 0.6491 -0.0219 -0.0395 -0.0187 405 CLA a C3A +55045 C C4A A CLA ZE . ? 0.8289 0.6382 0.6353 -0.0243 -0.0393 -0.0178 405 CLA a C4A +55046 C C4A B CLA ZE . ? 0.8303 0.6396 0.6367 -0.0245 -0.0393 -0.0179 405 CLA a C4A +55047 C CMA A CLA ZE . ? 0.7576 0.5541 0.5519 -0.0234 -0.0398 -0.0205 405 CLA a CMA +55048 C CMA B CLA ZE . ? 0.7546 0.5511 0.5491 -0.0236 -0.0399 -0.0206 405 CLA a CMA +55049 C CAA A CLA ZE . ? 0.8030 0.6107 0.6009 -0.0155 -0.0367 -0.0158 405 CLA a CAA +55050 C CAA B CLA ZE . ? 0.8030 0.6105 0.6009 -0.0157 -0.0368 -0.0158 405 CLA a CAA +55051 C CBA A CLA ZE . ? 0.7871 0.6023 0.5916 -0.0169 -0.0377 -0.0149 405 CLA a CBA +55052 C CBA B CLA ZE . ? 0.7862 0.6015 0.5909 -0.0168 -0.0375 -0.0148 405 CLA a CBA +55053 C CGA A CLA ZE . ? 0.8566 0.6755 0.6610 -0.0150 -0.0383 -0.0144 405 CLA a CGA +55054 C CGA B CLA ZE . ? 0.8570 0.6757 0.6614 -0.0150 -0.0383 -0.0145 405 CLA a CGA +55055 O O1A A CLA ZE . ? 0.9947 0.8114 0.7946 -0.0122 -0.0375 -0.0142 405 CLA a O1A +55056 O O1A B CLA ZE . ? 1.0003 0.8167 0.8000 -0.0123 -0.0376 -0.0143 405 CLA a O1A +55057 O O2A A CLA ZE . ? 0.8794 0.7044 0.6892 -0.0165 -0.0398 -0.0141 405 CLA a O2A +55058 O O2A B CLA ZE . ? 0.8814 0.7062 0.6910 -0.0165 -0.0398 -0.0142 405 CLA a O2A +55059 N NB A CLA ZE . ? 0.8236 0.6432 0.6438 -0.0301 -0.0396 -0.0170 405 CLA a NB +55060 N NB B CLA ZE . ? 0.8267 0.6464 0.6471 -0.0302 -0.0397 -0.0170 405 CLA a NB +55061 C C1B A CLA ZE . ? 0.7536 0.5702 0.5700 -0.0306 -0.0415 -0.0189 405 CLA a C1B +55062 C C1B B CLA ZE . ? 0.7528 0.5696 0.5694 -0.0306 -0.0416 -0.0189 405 CLA a C1B +55063 C C2B A CLA ZE . ? 0.7610 0.5804 0.5810 -0.0341 -0.0439 -0.0208 405 CLA a C2B +55064 C C2B B CLA ZE . ? 0.7597 0.5793 0.5798 -0.0341 -0.0440 -0.0208 405 CLA a C2B +55065 C C3B A CLA ZE . ? 0.7981 0.6227 0.6248 -0.0358 -0.0430 -0.0196 405 CLA a C3B +55066 C C3B B CLA ZE . ? 0.7994 0.6243 0.6263 -0.0358 -0.0431 -0.0196 405 CLA a C3B +55067 C C4B A CLA ZE . ? 0.7578 0.5820 0.5840 -0.0331 -0.0404 -0.0172 405 CLA a C4B +55068 C C4B B CLA ZE . ? 0.7581 0.5824 0.5844 -0.0332 -0.0404 -0.0173 405 CLA a C4B +55069 C CMB A CLA ZE . ? 0.8131 0.6305 0.6305 -0.0355 -0.0466 -0.0233 405 CLA a CMB +55070 C CMB B CLA ZE . ? 0.8134 0.6311 0.6309 -0.0355 -0.0467 -0.0233 405 CLA a CMB +55071 C CAB A CLA ZE . ? 0.7541 0.5834 0.5868 -0.0393 -0.0444 -0.0206 405 CLA a CAB +55072 C CAB B CLA ZE . ? 0.7534 0.5831 0.5863 -0.0393 -0.0446 -0.0207 405 CLA a CAB +55073 C CBB A CLA ZE . ? 0.8467 0.6751 0.6817 -0.0422 -0.0435 -0.0208 405 CLA a CBB +55074 C CBB B CLA ZE . ? 0.8526 0.6822 0.6885 -0.0422 -0.0436 -0.0207 405 CLA a CBB +55075 N NC A CLA ZE . ? 0.7231 0.5482 0.5498 -0.0278 -0.0353 -0.0125 405 CLA a NC +55076 N NC B CLA ZE . ? 0.7244 0.5494 0.5512 -0.0279 -0.0353 -0.0126 405 CLA a NC +55077 C C1C A CLA ZE . ? 0.8415 0.6702 0.6730 -0.0310 -0.0365 -0.0133 405 CLA a C1C +55078 C C1C B CLA ZE . ? 0.8459 0.6747 0.6775 -0.0311 -0.0365 -0.0133 405 CLA a C1C +55079 C C2C A CLA ZE . ? 0.6663 0.4999 0.5036 -0.0318 -0.0353 -0.0117 405 CLA a C2C +55080 C C2C B CLA ZE . ? 0.6638 0.4977 0.5013 -0.0318 -0.0354 -0.0117 405 CLA a C2C +55081 C C3C A CLA ZE . ? 0.7597 0.5922 0.5952 -0.0286 -0.0333 -0.0099 405 CLA a C3C +55082 C C3C B CLA ZE . ? 0.7603 0.5932 0.5961 -0.0286 -0.0333 -0.0098 405 CLA a C3C +55083 C C4C A CLA ZE . ? 0.6891 0.5165 0.5183 -0.0264 -0.0334 -0.0105 405 CLA a C4C +55084 C C4C B CLA ZE . ? 0.6888 0.5162 0.5181 -0.0265 -0.0334 -0.0106 405 CLA a C4C +55085 C CMC A CLA ZE . ? 0.7034 0.5420 0.5469 -0.0349 -0.0360 -0.0120 405 CLA a CMC +55086 C CMC B CLA ZE . ? 0.7026 0.5416 0.5464 -0.0348 -0.0361 -0.0120 405 CLA a CMC +55087 C CAC A CLA ZE . ? 0.7337 0.5698 0.5730 -0.0277 -0.0315 -0.0078 405 CLA a CAC +55088 C CAC B CLA ZE . ? 0.7339 0.5703 0.5735 -0.0277 -0.0316 -0.0078 405 CLA a CAC +55089 C CBC A CLA ZE . ? 0.7371 0.5699 0.5765 -0.0300 -0.0306 -0.0079 405 CLA a CBC +55090 C CBC B CLA ZE . ? 0.7380 0.5713 0.5777 -0.0299 -0.0306 -0.0079 405 CLA a CBC +55091 N ND A CLA ZE . ? 0.7419 0.5601 0.5589 -0.0214 -0.0332 -0.0116 405 CLA a ND +55092 N ND B CLA ZE . ? 0.7418 0.5599 0.5588 -0.0215 -0.0332 -0.0116 405 CLA a ND +55093 C C1D A CLA ZE . ? 0.7485 0.5694 0.5688 -0.0204 -0.0314 -0.0097 405 CLA a C1D +55094 C C1D B CLA ZE . ? 0.7491 0.5700 0.5695 -0.0205 -0.0314 -0.0097 405 CLA a C1D +55095 C C2D A CLA ZE . ? 0.7555 0.5742 0.5727 -0.0169 -0.0295 -0.0085 405 CLA a C2D +55096 C C2D B CLA ZE . ? 0.7571 0.5759 0.5743 -0.0169 -0.0295 -0.0085 405 CLA a C2D +55097 C C3D A CLA ZE . ? 0.7291 0.5430 0.5402 -0.0156 -0.0302 -0.0099 405 CLA a C3D +55098 C C3D B CLA ZE . ? 0.7279 0.5420 0.5392 -0.0156 -0.0302 -0.0099 405 CLA a C3D +55099 C C4D A CLA ZE . ? 0.7268 0.5407 0.5382 -0.0183 -0.0323 -0.0116 405 CLA a C4D +55100 C C4D B CLA ZE . ? 0.7252 0.5391 0.5366 -0.0184 -0.0323 -0.0116 405 CLA a C4D +55101 C CMD A CLA ZE . ? 0.6703 0.4907 0.4893 -0.0148 -0.0275 -0.0066 405 CLA a CMD +55102 C CMD B CLA ZE . ? 0.6683 0.4890 0.4875 -0.0148 -0.0275 -0.0066 405 CLA a CMD +55103 C CAD A CLA ZE . ? 0.8277 0.6370 0.6326 -0.0125 -0.0295 -0.0103 405 CLA a CAD +55104 C CAD B CLA ZE . ? 0.8306 0.6400 0.6356 -0.0125 -0.0295 -0.0103 405 CLA a CAD +55105 O OBD A CLA ZE . ? 0.7697 0.5778 0.5728 -0.0094 -0.0276 -0.0092 405 CLA a OBD +55106 O OBD B CLA ZE . ? 0.7728 0.5812 0.5760 -0.0094 -0.0277 -0.0092 405 CLA a OBD +55107 C CBD A CLA ZE . ? 0.8142 0.6202 0.6151 -0.0135 -0.0314 -0.0123 405 CLA a CBD +55108 C CBD B CLA ZE . ? 0.8148 0.6209 0.6158 -0.0135 -0.0314 -0.0123 405 CLA a CBD +55109 C CGD A CLA ZE . ? 0.8119 0.6099 0.6069 -0.0135 -0.0313 -0.0136 405 CLA a CGD +55110 C CGD B CLA ZE . ? 0.8116 0.6096 0.6065 -0.0134 -0.0312 -0.0136 405 CLA a CGD +55111 O O1D A CLA ZE . ? 0.8695 0.6646 0.6647 -0.0154 -0.0310 -0.0139 405 CLA a O1D +55112 O O1D B CLA ZE . ? 0.8718 0.6667 0.6669 -0.0154 -0.0310 -0.0139 405 CLA a O1D +55113 O O2D A CLA ZE . ? 0.8755 0.6686 0.6639 -0.0113 -0.0314 -0.0147 405 CLA a O2D +55114 O O2D B CLA ZE . ? 0.8751 0.6683 0.6635 -0.0109 -0.0311 -0.0145 405 CLA a O2D +55115 C CED A CLA ZE . ? 0.8458 0.6309 0.6284 -0.0115 -0.0314 -0.0161 405 CLA a CED +55116 C CED B CLA ZE . ? 0.8464 0.6315 0.6288 -0.0110 -0.0311 -0.0159 405 CLA a CED +55117 C C1 A CLA ZE . ? 0.8845 0.7120 0.6934 -0.0149 -0.0407 -0.0139 405 CLA a C1 +55118 C C1 B CLA ZE . ? 0.8860 0.7133 0.6947 -0.0149 -0.0407 -0.0139 405 CLA a C1 +55119 C C2 A CLA ZE . ? 0.9513 0.7776 0.7582 -0.0164 -0.0438 -0.0161 405 CLA a C2 +55120 C C2 B CLA ZE . ? 0.9535 0.7794 0.7600 -0.0164 -0.0438 -0.0161 405 CLA a C2 +55121 C C3 A CLA ZE . ? 0.8841 0.7077 0.6854 -0.0145 -0.0447 -0.0168 405 CLA a C3 +55122 C C3 B CLA ZE . ? 0.8830 0.7066 0.6843 -0.0145 -0.0447 -0.0168 405 CLA a C3 +55123 C C4 A CLA ZE . ? 0.9094 0.7312 0.7066 -0.0110 -0.0423 -0.0154 405 CLA a C4 +55124 C C4 B CLA ZE . ? 0.9107 0.7331 0.7082 -0.0109 -0.0424 -0.0153 405 CLA a C4 +55125 C C5 A CLA ZE . ? 0.9976 0.8198 0.7966 -0.0159 -0.0479 -0.0191 405 CLA a C5 +55126 C C5 B CLA ZE . ? 0.9967 0.8191 0.7959 -0.0160 -0.0480 -0.0191 405 CLA a C5 +55127 C C6 A CLA ZE . ? 1.1649 0.9803 0.9583 -0.0167 -0.0487 -0.0212 405 CLA a C6 +55128 C C6 B CLA ZE . ? 1.1654 0.9810 0.9590 -0.0168 -0.0488 -0.0212 405 CLA a C6 +55129 C C7 A CLA ZE . ? 1.3148 1.1291 1.1112 -0.0197 -0.0484 -0.0219 405 CLA a C7 +55130 C C7 B CLA ZE . ? 1.3179 1.1322 1.1144 -0.0198 -0.0486 -0.0220 405 CLA a C7 +55131 C C8 A CLA ZE . ? 1.3471 1.1540 1.1379 -0.0206 -0.0490 -0.0239 405 CLA a C8 +55132 C C8 B CLA ZE . ? 1.3480 1.1550 1.1388 -0.0207 -0.0491 -0.0240 405 CLA a C8 +55133 C C9 A CLA ZE . ? 1.2886 1.0929 1.0805 -0.0219 -0.0470 -0.0235 405 CLA a C9 +55134 C C9 B CLA ZE . ? 1.2882 1.0925 1.0800 -0.0218 -0.0470 -0.0235 405 CLA a C9 +55135 C C10 A CLA ZE . ? 1.4819 1.2888 1.2730 -0.0235 -0.0524 -0.0265 405 CLA a C10 +55136 C C10 B CLA ZE . ? 1.4837 1.2907 1.2749 -0.0236 -0.0525 -0.0265 405 CLA a C10 +55137 C C11 A CLA ZE . ? 1.6212 1.4206 1.4052 -0.0238 -0.0534 -0.0287 405 CLA a C11 +55138 C C11 B CLA ZE . ? 1.6231 1.4225 1.4071 -0.0239 -0.0535 -0.0288 405 CLA a C11 +55139 C C12 A CLA ZE . ? 1.6581 1.4580 1.4424 -0.0264 -0.0571 -0.0313 405 CLA a C12 +55140 C C12 B CLA ZE . ? 1.6596 1.4595 1.4438 -0.0265 -0.0571 -0.0314 405 CLA a C12 +55141 C C13 A CLA ZE . ? 1.7336 1.5263 1.5129 -0.0283 -0.0581 -0.0338 405 CLA a C13 +55142 C C13 B CLA ZE . ? 1.7352 1.5279 1.5144 -0.0283 -0.0581 -0.0338 405 CLA a C13 +55143 C C14 A CLA ZE . ? 1.6740 1.4690 1.4577 -0.0327 -0.0607 -0.0360 405 CLA a C14 +55144 C C14 B CLA ZE . ? 1.6750 1.4696 1.4584 -0.0327 -0.0607 -0.0360 405 CLA a C14 +55145 C C15 A CLA ZE . ? 1.7556 1.5430 1.5266 -0.0259 -0.0592 -0.0350 405 CLA a C15 +55146 C C15 B CLA ZE . ? 1.7558 1.5433 1.5268 -0.0258 -0.0592 -0.0350 405 CLA a C15 +55147 C C16 A CLA ZE . ? 1.8409 1.6305 1.6116 -0.0268 -0.0630 -0.0370 405 CLA a C16 +55148 C C16 B CLA ZE . ? 1.8424 1.6320 1.6132 -0.0268 -0.0630 -0.0370 405 CLA a C16 +55149 C C17 A CLA ZE . ? 1.8427 1.6258 1.6046 -0.0250 -0.0643 -0.0387 405 CLA a C17 +55150 C C17 B CLA ZE . ? 1.8440 1.6269 1.6058 -0.0251 -0.0643 -0.0388 405 CLA a C17 +55151 C C18 A CLA ZE . ? 1.7491 1.5340 1.5108 -0.0263 -0.0684 -0.0411 405 CLA a C18 +55152 C C18 B CLA ZE . ? 1.7488 1.5335 1.5104 -0.0264 -0.0684 -0.0411 405 CLA a C18 +55153 C C19 A CLA ZE . ? 1.7382 1.5287 1.5014 -0.0239 -0.0693 -0.0397 405 CLA a C19 +55154 C C19 B CLA ZE . ? 1.7382 1.5284 1.5013 -0.0239 -0.0693 -0.0398 405 CLA a C19 +55155 C C20 A CLA ZE . ? 1.7688 1.5461 1.5221 -0.0260 -0.0701 -0.0436 405 CLA a C20 +55156 C C20 B CLA ZE . ? 1.7693 1.5463 1.5224 -0.0260 -0.0701 -0.0436 405 CLA a C20 +55157 C CHA A PHO AF . ? 0.7477 0.6258 0.5846 0.0070 -0.0078 0.0127 406 PHO a CHA +55158 C CHA B PHO AF . ? 0.7485 0.6267 0.5855 0.0070 -0.0078 0.0127 406 PHO a CHA +55159 C CHB A PHO AF . ? 0.6946 0.5801 0.5477 0.0033 -0.0106 0.0125 406 PHO a CHB +55160 C CHB B PHO AF . ? 0.6932 0.5788 0.5465 0.0032 -0.0106 0.0125 406 PHO a CHB +55161 C CHC A PHO AF . ? 0.6721 0.5421 0.5120 0.0030 -0.0159 0.0076 406 PHO a CHC +55162 C CHC B PHO AF . ? 0.6700 0.5401 0.5101 0.0030 -0.0159 0.0076 406 PHO a CHC +55163 C CHD A PHO AF . ? 0.7154 0.5784 0.5387 0.0072 -0.0146 0.0072 406 PHO a CHD +55164 C CHD B PHO AF . ? 0.7144 0.5775 0.5378 0.0072 -0.0146 0.0072 406 PHO a CHD +55165 N NA A PHO AF . ? 0.7358 0.6171 0.5805 0.0050 -0.0098 0.0123 406 PHO a NA +55166 N NA B PHO AF . ? 0.7361 0.6174 0.5809 0.0050 -0.0098 0.0123 406 PHO a NA +55167 C C1A A PHO AF . ? 0.7594 0.6414 0.6026 0.0057 -0.0081 0.0131 406 PHO a C1A +55168 C C1A B PHO AF . ? 0.7608 0.6428 0.6041 0.0058 -0.0081 0.0131 406 PHO a C1A +55169 C C2A A PHO AF . ? 0.7441 0.6308 0.5924 0.0051 -0.0065 0.0145 406 PHO a C2A +55170 C C2A B PHO AF . ? 0.7461 0.6328 0.5943 0.0051 -0.0065 0.0145 406 PHO a C2A +55171 C C3A A PHO AF . ? 0.7204 0.6092 0.5736 0.0037 -0.0079 0.0144 406 PHO a C3A +55172 C C3A B PHO AF . ? 0.7201 0.6089 0.5733 0.0037 -0.0079 0.0144 406 PHO a C3A +55173 C C4A A PHO AF . ? 0.7601 0.6451 0.6102 0.0041 -0.0095 0.0130 406 PHO a C4A +55174 C C4A B PHO AF . ? 0.7611 0.6462 0.6113 0.0040 -0.0095 0.0130 406 PHO a C4A +55175 C CMA A PHO AF . ? 0.6598 0.5501 0.5156 0.0017 -0.0097 0.0148 406 PHO a CMA +55176 C CMA B PHO AF . ? 0.6568 0.5468 0.5122 0.0018 -0.0098 0.0148 406 PHO a CMA +55177 C CAA A PHO AF . ? 0.6853 0.5740 0.5343 0.0067 -0.0035 0.0150 406 PHO a CAA +55178 C CAA B PHO AF . ? 0.6850 0.5737 0.5340 0.0067 -0.0035 0.0150 406 PHO a CAA +55179 C CBA A PHO AF . ? 0.6715 0.5648 0.5254 0.0057 -0.0022 0.0164 406 PHO a CBA +55180 C CBA B PHO AF . ? 0.6711 0.5644 0.5249 0.0057 -0.0021 0.0164 406 PHO a CBA +55181 C CGA A PHO AF . ? 0.7112 0.6074 0.5674 0.0070 0.0005 0.0167 406 PHO a CGA +55182 C CGA B PHO AF . ? 0.7110 0.6074 0.5673 0.0070 0.0006 0.0167 406 PHO a CGA +55183 O O1A A PHO AF . ? 0.7072 0.6022 0.5617 0.0086 0.0010 0.0159 406 PHO a O1A +55184 O O1A B PHO AF . ? 0.7053 0.6005 0.5598 0.0087 0.0013 0.0160 406 PHO a O1A +55185 O O2A A PHO AF . ? 0.7221 0.6227 0.5826 0.0063 0.0023 0.0178 406 PHO a O2A +55186 O O2A B PHO AF . ? 0.7234 0.6243 0.5843 0.0062 0.0023 0.0178 406 PHO a O2A +55187 N NB A PHO AF . ? 0.7349 0.6125 0.5806 0.0035 -0.0132 0.0101 406 PHO a NB +55188 N NB B PHO AF . ? 0.7356 0.6134 0.5816 0.0035 -0.0132 0.0101 406 PHO a NB +55189 C C1B A PHO AF . ? 0.7198 0.6016 0.5707 0.0030 -0.0123 0.0112 406 PHO a C1B +55190 C C1B B PHO AF . ? 0.7191 0.6012 0.5703 0.0029 -0.0123 0.0112 406 PHO a C1B +55191 C C2B A PHO AF . ? 0.7450 0.6274 0.5990 0.0021 -0.0131 0.0109 406 PHO a C2B +55192 C C2B B PHO AF . ? 0.7462 0.6288 0.6005 0.0020 -0.0131 0.0109 406 PHO a C2B +55193 C C3B A PHO AF . ? 0.7847 0.6623 0.6347 0.0020 -0.0145 0.0095 406 PHO a C3B +55194 C C3B B PHO AF . ? 0.7858 0.6636 0.6360 0.0019 -0.0146 0.0095 406 PHO a C3B +55195 C C4B A PHO AF . ? 0.7439 0.6189 0.5889 0.0029 -0.0145 0.0090 406 PHO a C4B +55196 C C4B B PHO AF . ? 0.7445 0.6198 0.5899 0.0028 -0.0145 0.0091 406 PHO a C4B +55197 C CMB A PHO AF . ? 0.7292 0.6157 0.5888 0.0014 -0.0125 0.0118 406 PHO a CMB +55198 C CMB B PHO AF . ? 0.7290 0.6156 0.5889 0.0013 -0.0126 0.0118 406 PHO a CMB +55199 C CAB A PHO AF . ? 0.8102 0.6854 0.6602 0.0011 -0.0157 0.0086 406 PHO a CAB +55200 C CAB B PHO AF . ? 0.8116 0.6871 0.6620 0.0010 -0.0157 0.0087 406 PHO a CAB +55201 C CBB A PHO AF . ? 0.7800 0.6564 0.6326 0.0013 -0.0150 0.0090 406 PHO a CBB +55202 C CBB B PHO AF . ? 0.8114 0.6871 0.6630 0.0018 -0.0148 0.0088 406 PHO a CBB +55203 N NC A PHO AF . ? 0.7280 0.5960 0.5611 0.0051 -0.0149 0.0078 406 PHO a NC +55204 N NC B PHO AF . ? 0.7268 0.5950 0.5601 0.0050 -0.0149 0.0078 406 PHO a NC +55205 C C1C A PHO AF . ? 0.7748 0.6418 0.6094 0.0039 -0.0162 0.0070 406 PHO a C1C +55206 C C1C B PHO AF . ? 0.7762 0.6434 0.6110 0.0039 -0.0162 0.0070 406 PHO a C1C +55207 C C2C A PHO AF . ? 0.7298 0.5918 0.5598 0.0037 -0.0179 0.0053 406 PHO a C2C +55208 C C2C B PHO AF . ? 0.7301 0.5923 0.5602 0.0037 -0.0179 0.0054 406 PHO a C2C +55209 C C3C A PHO AF . ? 0.7071 0.5669 0.5320 0.0051 -0.0176 0.0051 406 PHO a C3C +55210 C C3C B PHO AF . ? 0.7058 0.5658 0.5308 0.0050 -0.0176 0.0051 406 PHO a C3C +55211 C C4C A PHO AF . ? 0.7917 0.6555 0.6190 0.0058 -0.0156 0.0067 406 PHO a C4C +55212 C C4C B PHO AF . ? 0.7938 0.6578 0.6212 0.0058 -0.0156 0.0068 406 PHO a C4C +55213 C CMC A PHO AF . ? 0.7117 0.5712 0.5418 0.0024 -0.0194 0.0042 406 PHO a CMC +55214 C CMC B PHO AF . ? 0.7107 0.5703 0.5409 0.0023 -0.0195 0.0042 406 PHO a CMC +55215 C CAC A PHO AF . ? 0.7415 0.5962 0.5601 0.0056 -0.0190 0.0036 406 PHO a CAC +55216 C CAC B PHO AF . ? 0.7417 0.5965 0.5604 0.0054 -0.0190 0.0036 406 PHO a CAC +55217 C CBC A PHO AF . ? 0.6943 0.5461 0.5081 0.0082 -0.0168 0.0034 406 PHO a CBC +55218 C CBC B PHO AF . ? 0.6939 0.5457 0.5078 0.0081 -0.0170 0.0034 406 PHO a CBC +55219 N ND A PHO AF . ? 0.7646 0.6359 0.5965 0.0068 -0.0117 0.0099 406 PHO a ND +55220 N ND B PHO AF . ? 0.7662 0.6376 0.5981 0.0068 -0.0116 0.0099 406 PHO a ND +55221 C C1D A PHO AF . ? 0.7335 0.6004 0.5594 0.0077 -0.0125 0.0088 406 PHO a C1D +55222 C C1D B PHO AF . ? 0.7340 0.6009 0.5599 0.0077 -0.0124 0.0088 406 PHO a C1D +55223 C C2D A PHO AF . ? 0.7518 0.6174 0.5734 0.0091 -0.0111 0.0093 406 PHO a C2D +55224 C C2D B PHO AF . ? 0.7521 0.6178 0.5737 0.0091 -0.0110 0.0093 406 PHO a C2D +55225 C C3D A PHO AF . ? 0.7340 0.6043 0.5603 0.0087 -0.0091 0.0110 406 PHO a C3D +55226 C C3D B PHO AF . ? 0.7336 0.6039 0.5599 0.0087 -0.0090 0.0110 406 PHO a C3D +55227 C C4D A PHO AF . ? 0.7299 0.6034 0.5620 0.0074 -0.0097 0.0112 406 PHO a C4D +55228 C C4D B PHO AF . ? 0.7294 0.6029 0.5615 0.0075 -0.0096 0.0112 406 PHO a C4D +55229 C CMD A PHO AF . ? 0.7320 0.5929 0.5462 0.0104 -0.0113 0.0085 406 PHO a CMD +55230 C CMD B PHO AF . ? 0.7316 0.5926 0.5460 0.0104 -0.0112 0.0086 406 PHO a CMD +55231 C CAD A PHO AF . ? 0.7346 0.6073 0.5615 0.0092 -0.0068 0.0124 406 PHO a CAD +55232 C CAD B PHO AF . ? 0.7348 0.6075 0.5617 0.0092 -0.0067 0.0125 406 PHO a CAD +55233 O OBD A PHO AF . ? 0.7594 0.6299 0.5814 0.0103 -0.0056 0.0127 406 PHO a OBD +55234 O OBD B PHO AF . ? 0.7600 0.6306 0.5821 0.0103 -0.0055 0.0127 406 PHO a OBD +55235 C CBD A PHO AF . ? 0.7043 0.5820 0.5380 0.0081 -0.0059 0.0135 406 PHO a CBD +55236 C CBD B PHO AF . ? 0.7034 0.5811 0.5371 0.0081 -0.0058 0.0135 406 PHO a CBD +55237 C CGD A PHO AF . ? 0.6980 0.5778 0.5337 0.0067 -0.0062 0.0147 406 PHO a CGD +55238 C CGD B PHO AF . ? 0.6980 0.5777 0.5337 0.0067 -0.0062 0.0147 406 PHO a CGD +55239 O O1D A PHO AF . ? 0.7149 0.5967 0.5515 0.0069 -0.0039 0.0158 406 PHO a O1D +55240 O O1D B PHO AF . ? 0.7155 0.5973 0.5521 0.0069 -0.0039 0.0158 406 PHO a O1D +55241 O O2D A PHO AF . ? 0.7217 0.6013 0.5586 0.0051 -0.0091 0.0144 406 PHO a O2D +55242 O O2D B PHO AF . ? 0.7234 0.6027 0.5600 0.0051 -0.0091 0.0144 406 PHO a O2D +55243 C CED A PHO AF . ? 0.6453 0.5264 0.4836 0.0041 -0.0093 0.0155 406 PHO a CED +55244 C CED B PHO AF . ? 0.6441 0.5252 0.4824 0.0041 -0.0093 0.0155 406 PHO a CED +55245 C C1 A PHO AF . ? 0.7591 0.6632 0.6229 0.0074 0.0043 0.0178 406 PHO a C1 +55246 C C1 B PHO AF . ? 0.7609 0.6652 0.6249 0.0073 0.0044 0.0179 406 PHO a C1 +55247 C C2 A PHO AF . ? 0.8164 0.7238 0.6858 0.0064 0.0032 0.0179 406 PHO a C2 +55248 C C2 B PHO AF . ? 0.8178 0.7253 0.6874 0.0064 0.0032 0.0179 406 PHO a C2 +55249 C C3 A PHO AF . ? 0.8318 0.7419 0.7052 0.0045 0.0027 0.0187 406 PHO a C3 +55250 C C3 B PHO AF . ? 0.8336 0.7440 0.7073 0.0045 0.0028 0.0187 406 PHO a C3 +55251 C C4 A PHO AF . ? 0.7743 0.6842 0.6467 0.0032 0.0032 0.0196 406 PHO a C4 +55252 C C4 B PHO AF . ? 0.7741 0.6845 0.6470 0.0032 0.0034 0.0196 406 PHO a C4 +55253 C C5 A PHO AF . ? 0.8311 0.7443 0.7098 0.0037 0.0016 0.0186 406 PHO a C5 +55254 C C5 B PHO AF . ? 0.8307 0.7439 0.7094 0.0037 0.0016 0.0186 406 PHO a C5 +55255 C C6 A PHO AF . ? 0.7429 0.6570 0.6227 0.0054 0.0018 0.0179 406 PHO a C6 +55256 C C6 B PHO AF . ? 0.7427 0.6566 0.6223 0.0055 0.0018 0.0178 406 PHO a C6 +55257 C C7 A PHO AF . ? 0.6991 0.6159 0.5838 0.0045 0.0006 0.0179 406 PHO a C7 +55258 C C7 B PHO AF . ? 0.7012 0.6176 0.5854 0.0046 0.0004 0.0178 406 PHO a C7 +55259 C C8 A PHO AF . ? 0.7286 0.6454 0.6136 0.0065 0.0005 0.0172 406 PHO a C8 +55260 C C8 B PHO AF . ? 0.7293 0.6461 0.6142 0.0065 0.0005 0.0171 406 PHO a C8 +55261 C C9 A PHO AF . ? 0.7168 0.6375 0.6040 0.0081 0.0028 0.0173 406 PHO a C9 +55262 C C9 B PHO AF . ? 0.7173 0.6383 0.6048 0.0079 0.0029 0.0173 406 PHO a C9 +55263 C C10 A PHO AF . ? 0.7518 0.6693 0.6397 0.0055 -0.0014 0.0171 406 PHO a C10 +55264 C C10 B PHO AF . ? 0.7527 0.6704 0.6408 0.0056 -0.0013 0.0171 406 PHO a C10 +55265 C C11 A PHO AF . ? 0.6679 0.5852 0.5561 0.0075 -0.0016 0.0164 406 PHO a C11 +55266 C C11 B PHO AF . ? 0.6675 0.5852 0.5559 0.0075 -0.0015 0.0164 406 PHO a C11 +55267 C C12 A PHO AF . ? 0.7222 0.6351 0.6052 0.0094 -0.0015 0.0156 406 PHO a C12 +55268 C C12 B PHO AF . ? 0.7225 0.6355 0.6056 0.0094 -0.0015 0.0156 406 PHO a C12 +55269 C C13 A PHO AF . ? 0.7424 0.6501 0.6216 0.0083 -0.0035 0.0151 406 PHO a C13 +55270 C C13 B PHO AF . ? 0.7433 0.6512 0.6226 0.0082 -0.0034 0.0151 406 PHO a C13 +55271 C C14 A PHO AF . ? 0.6935 0.5966 0.5675 0.0102 -0.0034 0.0142 406 PHO a C14 +55272 C C14 B PHO AF . ? 0.6933 0.5966 0.5673 0.0102 -0.0033 0.0142 406 PHO a C14 +55273 C C15 A PHO AF . ? 0.7471 0.6547 0.6285 0.0070 -0.0053 0.0151 406 PHO a C15 +55274 C C15 B PHO AF . ? 0.7480 0.6556 0.6293 0.0070 -0.0053 0.0151 406 PHO a C15 +55275 C C16 A PHO AF . ? 0.6977 0.6003 0.5754 0.0059 -0.0071 0.0145 406 PHO a C16 +55276 C C16 B PHO AF . ? 0.6974 0.5998 0.5749 0.0061 -0.0070 0.0144 406 PHO a C16 +55277 C C17 A PHO AF . ? 0.7229 0.6253 0.6028 0.0045 -0.0086 0.0145 406 PHO a C17 +55278 C C17 B PHO AF . ? 0.7243 0.6267 0.6040 0.0045 -0.0086 0.0145 406 PHO a C17 +55279 C C18 A PHO AF . ? 0.7176 0.6152 0.5940 0.0032 -0.0102 0.0138 406 PHO a C18 +55280 C C18 B PHO AF . ? 0.7192 0.6168 0.5956 0.0033 -0.0102 0.0138 406 PHO a C18 +55281 C C19 A PHO AF . ? 0.6449 0.5379 0.5168 0.0049 -0.0102 0.0129 406 PHO a C19 +55282 C C19 B PHO AF . ? 0.6438 0.5368 0.5157 0.0050 -0.0102 0.0129 406 PHO a C19 +55283 C C20 A PHO AF . ? 0.6871 0.5851 0.5661 0.0012 -0.0116 0.0139 406 PHO a C20 +55284 C C20 B PHO AF . ? 0.6880 0.5861 0.5670 0.0013 -0.0116 0.0139 406 PHO a C20 +55285 MG MG . CLA BF . ? 0.6852 0.6500 0.6026 0.0208 0.0226 0.0150 407 CLA a MG +55286 C CHA . CLA BF . ? 0.6035 0.5703 0.5236 0.0275 0.0186 0.0128 407 CLA a CHA +55287 C CHB . CLA BF . ? 0.7691 0.7243 0.6731 0.0264 0.0256 0.0139 407 CLA a CHB +55288 C CHC . CLA BF . ? 0.6767 0.6408 0.5922 0.0149 0.0273 0.0171 407 CLA a CHC +55289 C CHD . CLA BF . ? 0.6650 0.6424 0.5983 0.0156 0.0201 0.0155 407 CLA a CHD +55290 N NA . CLA BF . ? 0.7908 0.7528 0.7042 0.0260 0.0224 0.0136 407 CLA a NA +55291 C C1A . CLA BF . ? 0.7253 0.6878 0.6397 0.0282 0.0206 0.0128 407 CLA a C1A +55292 C C2A . CLA BF . ? 0.6997 0.6578 0.6090 0.0316 0.0206 0.0120 407 CLA a C2A +55293 C C3A . CLA BF . ? 0.7490 0.7034 0.6532 0.0311 0.0226 0.0123 407 CLA a C3A +55294 C C4A . CLA BF . ? 0.8008 0.7583 0.7084 0.0276 0.0236 0.0133 407 CLA a C4A +55295 C CMA . CLA BF . ? 0.6568 0.6031 0.5546 0.0304 0.0202 0.0125 407 CLA a CMA +55296 C CAA . CLA BF . ? 0.7728 0.7364 0.6856 0.0348 0.0224 0.0111 407 CLA a CAA +55297 C CBA . CLA BF . ? 0.8413 0.8103 0.7574 0.0340 0.0260 0.0112 407 CLA a CBA +55298 C CGA . CLA BF . ? 0.9706 0.9452 0.8901 0.0373 0.0280 0.0101 407 CLA a CGA +55299 O O1A . CLA BF . ? 1.0332 1.0090 0.9541 0.0401 0.0266 0.0093 407 CLA a O1A +55300 O O2A . CLA BF . ? 0.8902 0.8692 0.8118 0.0372 0.0318 0.0101 407 CLA a O2A +55301 N NB . CLA BF . ? 0.7906 0.7511 0.7015 0.0207 0.0260 0.0154 407 CLA a NB +55302 C C1B . CLA BF . ? 0.7078 0.6648 0.6136 0.0231 0.0270 0.0149 407 CLA a C1B +55303 C C2B . CLA BF . ? 0.8266 0.7815 0.7285 0.0224 0.0297 0.0154 407 CLA a C2B +55304 C C3B . CLA BF . ? 0.7344 0.6920 0.6398 0.0189 0.0302 0.0165 407 CLA a C3B +55305 C C4B . CLA BF . ? 0.7521 0.7130 0.6630 0.0181 0.0277 0.0163 407 CLA a C4B +55306 C CMB . CLA BF . ? 0.7914 0.7421 0.6869 0.0247 0.0315 0.0150 407 CLA a CMB +55307 C CAB . CLA BF . ? 0.7669 0.7236 0.6704 0.0167 0.0326 0.0175 407 CLA a CAB +55308 C CBB . CLA BF . ? 0.7500 0.7005 0.6466 0.0168 0.0327 0.0179 407 CLA a CBB +55309 N NC . CLA BF . ? 0.6851 0.6550 0.6086 0.0162 0.0235 0.0161 407 CLA a NC +55310 C C1C . CLA BF . ? 0.7773 0.7462 0.6992 0.0141 0.0256 0.0169 407 CLA a C1C +55311 C C2C . CLA BF . ? 0.7462 0.7188 0.6728 0.0108 0.0259 0.0176 407 CLA a C2C +55312 C C3C . CLA BF . ? 0.7498 0.7264 0.6817 0.0111 0.0237 0.0170 407 CLA a C3C +55313 C C4C . CLA BF . ? 0.7608 0.7352 0.6901 0.0145 0.0224 0.0161 407 CLA a C4C +55314 C CMC . CLA BF . ? 0.6921 0.6644 0.6183 0.0079 0.0280 0.0186 407 CLA a CMC +55315 C CAC . CLA BF . ? 0.6984 0.6797 0.6365 0.0086 0.0229 0.0172 407 CLA a CAC +55316 C CBC . CLA BF . ? 0.6589 0.6478 0.6031 0.0092 0.0251 0.0165 407 CLA a CBC +55317 N ND . CLA BF . ? 0.7178 0.6891 0.6432 0.0212 0.0202 0.0143 407 CLA a ND +55318 C C1D . CLA BF . ? 0.7237 0.6994 0.6548 0.0191 0.0190 0.0146 407 CLA a C1D +55319 C C2D . CLA BF . ? 0.6484 0.6261 0.5824 0.0206 0.0166 0.0139 407 CLA a C2D +55320 C C3D . CLA BF . ? 0.6256 0.5997 0.5551 0.0241 0.0165 0.0132 407 CLA a C3D +55321 C C4D . CLA BF . ? 0.5746 0.5454 0.4996 0.0242 0.0186 0.0135 407 CLA a C4D +55322 C CMD . CLA BF . ? 0.6114 0.5934 0.5509 0.0193 0.0147 0.0139 407 CLA a CMD +55323 C CAD . CLA BF . ? 0.6810 0.6532 0.6085 0.0277 0.0150 0.0124 407 CLA a CAD +55324 O OBD . CLA BF . ? 0.7451 0.7191 0.6753 0.0286 0.0130 0.0120 407 CLA a OBD +55325 C CBD . CLA BF . ? 0.6960 0.6635 0.6177 0.0299 0.0164 0.0121 407 CLA a CBD +55326 C CGD . CLA BF . ? 0.7305 0.6904 0.6461 0.0307 0.0140 0.0120 407 CLA a CGD +55327 O O1D . CLA BF . ? 0.7790 0.7338 0.6906 0.0286 0.0133 0.0127 407 CLA a O1D +55328 O O2D . CLA BF . ? 0.7568 0.7150 0.6710 0.0340 0.0126 0.0112 407 CLA a O2D +55329 C CED . CLA BF . ? 0.7428 0.6937 0.6513 0.0344 0.0104 0.0112 407 CLA a CED +55330 C C1 . CLA BF . ? 0.9900 0.9687 0.9090 0.0406 0.0341 0.0092 407 CLA a C1 +55331 C C2 . CLA BF . ? 1.1544 1.1355 1.0739 0.0391 0.0380 0.0096 407 CLA a C2 +55332 C C3 . CLA BF . ? 1.4686 1.4486 1.3847 0.0413 0.0408 0.0091 407 CLA a C3 +55333 C C4 . CLA BF . ? 1.3927 1.3688 1.3041 0.0456 0.0403 0.0081 407 CLA a C4 +55334 C C5 . CLA BF . ? 1.5267 1.5092 1.4434 0.0394 0.0447 0.0097 407 CLA a C5 +55335 C C6 . CLA BF . ? 1.5212 1.4983 1.4304 0.0410 0.0471 0.0096 407 CLA a C6 +55336 C C7 . CLA BF . ? 1.5068 1.4878 1.4178 0.0394 0.0514 0.0100 407 CLA a C7 +55337 C C8 . CLA BF . ? 1.6152 1.5905 1.5183 0.0406 0.0539 0.0101 407 CLA a C8 +55338 C C9 . CLA BF . ? 1.4656 1.4455 1.3709 0.0396 0.0587 0.0103 407 CLA a C9 +55339 C C10 . CLA BF . ? 1.7669 1.7396 1.6664 0.0452 0.0535 0.0088 407 CLA a C10 +55340 C C11 . CLA BF . ? 1.9442 1.9071 1.8337 0.0458 0.0526 0.0090 407 CLA a C11 +55341 C C12 . CLA BF . ? 1.8386 1.7959 1.7255 0.0446 0.0480 0.0094 407 CLA a C12 +55342 C C13 . CLA BF . ? 2.0866 2.0350 1.9645 0.0467 0.0466 0.0089 407 CLA a C13 +55343 C C14 . CLA BF . ? 1.7270 1.6703 1.6029 0.0457 0.0421 0.0090 407 CLA a C14 +55344 C C15 . CLA BF . ? 2.1055 2.0491 1.9768 0.0457 0.0488 0.0094 407 CLA a C15 +55345 C C16 . CLA BF . ? 2.0001 1.9419 1.8706 0.0415 0.0481 0.0109 407 CLA a C16 +55346 C C17 . CLA BF . ? 1.6144 1.5504 1.4772 0.0410 0.0498 0.0114 407 CLA a C17 +55347 C C18 . CLA BF . ? 1.4606 1.3877 1.3151 0.0420 0.0471 0.0109 407 CLA a C18 +55348 C C19 . CLA BF . ? 1.3930 1.3152 1.2431 0.0390 0.0457 0.0120 407 CLA a C19 +55349 C C20 . CLA BF . ? 1.5284 1.4520 1.3768 0.0455 0.0491 0.0099 407 CLA a C20 +55350 C C1 . BCR CF . ? 0.9170 0.8578 0.8058 0.0000 0.0386 0.0257 408 BCR a C1 +55351 C C2 . BCR CF . ? 0.8948 0.8341 0.7794 0.0005 0.0425 0.0261 408 BCR a C2 +55352 C C3 . BCR CF . ? 0.7775 0.7224 0.6662 0.0020 0.0453 0.0252 408 BCR a C3 +55353 C C4 . BCR CF . ? 0.9153 0.8671 0.8123 -0.0002 0.0464 0.0252 408 BCR a C4 +55354 C C5 . BCR CF . ? 0.8662 0.8193 0.7674 -0.0012 0.0426 0.0250 408 BCR a C5 +55355 C C6 . BCR CF . ? 0.7529 0.7009 0.6503 -0.0012 0.0392 0.0253 408 BCR a C6 +55356 C C7 . BCR CF . ? 0.7839 0.7334 0.6855 -0.0022 0.0358 0.0251 408 BCR a C7 +55357 C C8 . BCR CF . ? 0.7037 0.6559 0.6086 -0.0007 0.0337 0.0240 408 BCR a C8 +55358 C C9 . BCR CF . ? 0.8003 0.7539 0.7091 -0.0017 0.0305 0.0238 408 BCR a C9 +55359 C C10 . BCR CF . ? 0.7688 0.7254 0.6811 0.0000 0.0289 0.0227 408 BCR a C10 +55360 C C11 . BCR CF . ? 0.7805 0.7385 0.6965 -0.0008 0.0258 0.0224 408 BCR a C11 +55361 C C33 . BCR CF . ? 0.7974 0.7580 0.7072 -0.0024 0.0430 0.0245 408 BCR a C33 +55362 C C31 . BCR CF . ? 0.7851 0.7213 0.6711 -0.0019 0.0364 0.0266 408 BCR a C31 +55363 C C32 . BCR CF . ? 0.7265 0.6655 0.6132 0.0028 0.0363 0.0245 408 BCR a C32 +55364 C C34 . BCR CF . ? 0.8015 0.7530 0.7102 -0.0043 0.0291 0.0247 408 BCR a C34 +55365 C C12 . BCR CF . ? 0.7355 0.6960 0.6541 0.0012 0.0245 0.0214 408 BCR a C12 +55366 C C13 . BCR CF . ? 0.9138 0.8756 0.8358 0.0007 0.0214 0.0211 408 BCR a C13 +55367 C C14 . BCR CF . ? 0.7140 0.6773 0.6374 0.0030 0.0201 0.0201 408 BCR a C14 +55368 C C15 . BCR CF . ? 0.7340 0.6982 0.6601 0.0031 0.0172 0.0197 408 BCR a C15 +55369 C C16 . BCR CF . ? 0.7262 0.6920 0.6537 0.0055 0.0161 0.0188 408 BCR a C16 +55370 C C17 . BCR CF . ? 0.6586 0.6246 0.5880 0.0054 0.0132 0.0185 408 BCR a C17 +55371 C C18 . BCR CF . ? 0.7032 0.6704 0.6337 0.0078 0.0119 0.0176 408 BCR a C18 +55372 C C19 . BCR CF . ? 0.7755 0.7421 0.7074 0.0073 0.0090 0.0175 408 BCR a C19 +55373 C C20 . BCR CF . ? 0.6551 0.6224 0.5878 0.0094 0.0075 0.0168 408 BCR a C20 +55374 C C21 . BCR CF . ? 0.7300 0.6962 0.6635 0.0086 0.0048 0.0168 408 BCR a C21 +55375 C C22 . BCR CF . ? 0.7155 0.6837 0.6511 0.0103 0.0033 0.0162 408 BCR a C22 +55376 C C23 . BCR CF . ? 0.6409 0.6075 0.5766 0.0094 0.0010 0.0164 408 BCR a C23 +55377 C C24 . BCR CF . ? 0.6312 0.5993 0.5685 0.0110 -0.0006 0.0158 408 BCR a C24 +55378 C C25 . BCR CF . ? 0.6116 0.5777 0.5487 0.0101 -0.0030 0.0160 408 BCR a C25 +55379 C C26 . BCR CF . ? 0.6734 0.6336 0.6058 0.0102 -0.0043 0.0162 408 BCR a C26 +55380 C C27 . BCR CF . ? 0.6952 0.6533 0.6271 0.0093 -0.0066 0.0163 408 BCR a C27 +55381 C C28 . BCR CF . ? 0.6776 0.6401 0.6144 0.0072 -0.0070 0.0165 408 BCR a C28 +55382 C C29 . BCR CF . ? 0.6667 0.6355 0.6082 0.0086 -0.0063 0.0159 408 BCR a C29 +55383 C C30 . BCR CF . ? 0.7848 0.7559 0.7272 0.0090 -0.0039 0.0158 408 BCR a C30 +55384 C C35 . BCR CF . ? 0.6338 0.5948 0.5571 -0.0021 0.0200 0.0218 408 BCR a C35 +55385 C C36 . BCR CF . ? 0.6567 0.6254 0.5869 0.0109 0.0133 0.0168 408 BCR a C36 +55386 C C37 . BCR CF . ? 0.6643 0.6363 0.6020 0.0133 0.0043 0.0154 408 BCR a C37 +55387 C C38 . BCR CF . ? 0.6207 0.5758 0.5478 0.0113 -0.0036 0.0162 408 BCR a C38 +55388 C C39 . BCR CF . ? 0.6719 0.6453 0.6169 0.0059 -0.0027 0.0164 408 BCR a C39 +55389 C C40 . BCR CF . ? 0.6685 0.6450 0.6145 0.0115 -0.0034 0.0150 408 BCR a C40 +55390 O O6 A SQD DF . ? 1.1390 0.9224 0.8466 0.0208 -0.0418 -0.0164 409 SQD a O6 +55391 O O6 B SQD DF . ? 1.1360 0.9197 0.8439 0.0207 -0.0419 -0.0164 409 SQD a O6 +55392 C C44 A SQD DF . ? 1.0634 0.8471 0.7703 0.0228 -0.0372 -0.0145 409 SQD a C44 +55393 C C44 B SQD DF . ? 1.0626 0.8463 0.7696 0.0228 -0.0372 -0.0145 409 SQD a C44 +55394 C C45 A SQD DF . ? 1.1154 0.9044 0.8313 0.0214 -0.0352 -0.0132 409 SQD a C45 +55395 C C45 B SQD DF . ? 1.1160 0.9051 0.8321 0.0213 -0.0352 -0.0132 409 SQD a C45 +55396 C C46 A SQD DF . ? 1.0608 0.8485 0.7753 0.0233 -0.0309 -0.0124 409 SQD a C46 +55397 C C46 B SQD DF . ? 1.0602 0.8481 0.7751 0.0233 -0.0309 -0.0124 409 SQD a C46 +55398 O O47 A SQD DF . ? 1.1629 0.9522 0.8827 0.0189 -0.0379 -0.0149 409 SQD a O47 +55399 O O47 B SQD DF . ? 1.1630 0.9525 0.8831 0.0188 -0.0379 -0.0149 409 SQD a O47 +55400 C C7 A SQD DF . ? 1.0923 0.8876 0.8206 0.0166 -0.0392 -0.0140 409 SQD a C7 +55401 C C7 B SQD DF . ? 1.0918 0.8872 0.8201 0.0165 -0.0394 -0.0140 409 SQD a C7 +55402 O O49 A SQD DF . ? 1.0703 0.8692 0.8010 0.0171 -0.0379 -0.0120 409 SQD a O49 +55403 O O49 B SQD DF . ? 1.0728 0.8716 0.8030 0.0170 -0.0384 -0.0121 409 SQD a O49 +55404 C C8 A SQD DF . ? 1.2023 0.9994 0.9362 0.0136 -0.0419 -0.0154 409 SQD a C8 +55405 C C8 B SQD DF . ? 1.2031 1.0003 0.9370 0.0135 -0.0421 -0.0154 409 SQD a C8 +55406 C C9 A SQD DF . ? 1.2534 1.0477 0.9872 0.0132 -0.0407 -0.0164 409 SQD a C9 +55407 C C9 B SQD DF . ? 1.2532 1.0477 0.9872 0.0132 -0.0407 -0.0163 409 SQD a C9 +55408 C C10 A SQD DF . ? 1.2727 1.0707 1.0124 0.0134 -0.0372 -0.0144 409 SQD a C10 +55409 C C10 B SQD DF . ? 1.2732 1.0712 1.0127 0.0135 -0.0371 -0.0144 409 SQD a C10 +55410 C C11 A SQD DF . ? 1.3844 1.1798 1.1247 0.0127 -0.0366 -0.0156 409 SQD a C11 +55411 C C11 B SQD DF . ? 1.3859 1.1814 1.1262 0.0127 -0.0366 -0.0155 409 SQD a C11 +55412 C C12 A SQD DF . ? 1.4512 1.2460 1.1908 0.0150 -0.0325 -0.0143 409 SQD a C12 +55413 C C12 B SQD DF . ? 1.4529 1.2480 1.1929 0.0149 -0.0326 -0.0143 409 SQD a C12 +55414 C C13 A SQD DF . ? 1.2489 1.0499 0.9965 0.0144 -0.0304 -0.0121 409 SQD a C13 +55415 C C13 B SQD DF . ? 1.2471 1.0484 0.9953 0.0142 -0.0306 -0.0122 409 SQD a C13 +55416 C C14 A SQD DF . ? 1.3211 1.1213 1.0696 0.0157 -0.0275 -0.0117 409 SQD a C14 +55417 C C14 B SQD DF . ? 1.3210 1.1214 1.0698 0.0156 -0.0276 -0.0117 409 SQD a C14 +55418 C C15 A SQD DF . ? 1.2888 1.0883 1.0407 0.0134 -0.0289 -0.0127 409 SQD a C15 +55419 C C15 B SQD DF . ? 1.2885 1.0883 1.0408 0.0134 -0.0288 -0.0126 409 SQD a C15 +55420 C C16 A SQD DF . ? 1.1515 0.9572 0.9119 0.0111 -0.0295 -0.0115 409 SQD a C16 +55421 C C16 B SQD DF . ? 1.1512 0.9569 0.9117 0.0109 -0.0297 -0.0116 409 SQD a C16 +55422 C C17 A SQD DF . ? 1.1627 0.9678 0.9267 0.0088 -0.0306 -0.0123 409 SQD a C17 +55423 C C17 B SQD DF . ? 1.1648 0.9698 0.9288 0.0086 -0.0307 -0.0124 409 SQD a C17 +55424 C C18 A SQD DF . ? 1.1900 0.9937 0.9542 0.0103 -0.0279 -0.0118 409 SQD a C18 +55425 C C18 B SQD DF . ? 1.1928 0.9962 0.9567 0.0103 -0.0280 -0.0119 409 SQD a C18 +55426 C C19 A SQD DF . ? 1.1536 0.9579 0.9224 0.0079 -0.0286 -0.0120 409 SQD a C19 +55427 C C19 B SQD DF . ? 1.1549 0.9589 0.9234 0.0079 -0.0286 -0.0121 409 SQD a C19 +55428 C C20 A SQD DF . ? 1.1565 0.9674 0.9330 0.0059 -0.0290 -0.0106 409 SQD a C20 +55429 C C20 B SQD DF . ? 1.1605 0.9713 0.9369 0.0060 -0.0290 -0.0106 409 SQD a C20 +55430 C C21 A SQD DF . ? 0.9183 0.7307 0.6998 0.0045 -0.0284 -0.0101 409 SQD a C21 +55431 C C21 B SQD DF . ? 0.9200 0.7318 0.7010 0.0046 -0.0284 -0.0103 409 SQD a C21 +55432 C C22 A SQD DF . ? 1.2113 1.0184 0.9903 0.0027 -0.0301 -0.0120 409 SQD a C22 +55433 C C22 B SQD DF . ? 1.2194 1.0262 0.9981 0.0025 -0.0304 -0.0122 409 SQD a C22 +55434 O O48 A SQD DF . ? 1.1293 0.9116 0.8392 0.0237 -0.0317 -0.0146 409 SQD a O48 +55435 O O48 B SQD DF . ? 1.1292 0.9116 0.8391 0.0237 -0.0316 -0.0145 409 SQD a O48 +55436 C C23 A SQD DF . ? 1.1770 0.9592 0.8897 0.0236 -0.0298 -0.0148 409 SQD a C23 +55437 C C23 B SQD DF . ? 1.1769 0.9590 0.8896 0.0236 -0.0298 -0.0148 409 SQD a C23 +55438 O O10 A SQD DF . ? 1.2177 1.0049 0.9376 0.0229 -0.0281 -0.0132 409 SQD a O10 +55439 O O10 B SQD DF . ? 1.2193 1.0064 0.9391 0.0229 -0.0280 -0.0133 409 SQD a O10 +55440 C C24 A SQD DF . ? 1.2605 1.0362 0.9672 0.0244 -0.0302 -0.0170 409 SQD a C24 +55441 C C24 B SQD DF . ? 1.2607 1.0364 0.9673 0.0245 -0.0301 -0.0169 409 SQD a C24 +55442 C C25 A SQD DF . ? 1.4387 1.2150 1.1501 0.0234 -0.0294 -0.0172 409 SQD a C25 +55443 C C25 B SQD DF . ? 1.4405 1.2168 1.1519 0.0235 -0.0293 -0.0172 409 SQD a C25 +55444 C C26 A SQD DF . ? 1.4122 1.1819 1.1171 0.0252 -0.0284 -0.0188 409 SQD a C26 +55445 C C26 B SQD DF . ? 1.4122 1.1819 1.1171 0.0252 -0.0284 -0.0189 409 SQD a C26 +55446 C C27 A SQD DF . ? 1.4747 1.2436 1.1833 0.0236 -0.0289 -0.0197 409 SQD a C27 +55447 C C27 B SQD DF . ? 1.4742 1.2431 1.1828 0.0235 -0.0290 -0.0197 409 SQD a C27 +55448 C C28 A SQD DF . ? 1.5232 1.2861 1.2259 0.0258 -0.0271 -0.0209 409 SQD a C28 +55449 C C28 B SQD DF . ? 1.5232 1.2861 1.2261 0.0257 -0.0272 -0.0209 409 SQD a C28 +55450 C C29 A SQD DF . ? 1.5085 1.2695 1.2139 0.0239 -0.0283 -0.0220 409 SQD a C29 +55451 C C29 B SQD DF . ? 1.5068 1.2682 1.2128 0.0238 -0.0282 -0.0219 409 SQD a C29 +55452 C C30 A SQD DF . ? 1.5744 1.3327 1.2781 0.0263 -0.0252 -0.0218 409 SQD a C30 +55453 C C30 B SQD DF . ? 1.5753 1.3332 1.2786 0.0263 -0.0253 -0.0220 409 SQD a C30 +55454 C C31 A SQD DF . ? 1.7176 1.4749 1.4251 0.0243 -0.0261 -0.0224 409 SQD a C31 +55455 C C31 B SQD DF . ? 1.7196 1.4767 1.4268 0.0244 -0.0261 -0.0225 409 SQD a C31 +55456 C C32 A SQD DF . ? 1.7503 1.5024 1.4537 0.0268 -0.0239 -0.0230 409 SQD a C32 +55457 C C32 B SQD DF . ? 1.7518 1.5037 1.4548 0.0270 -0.0238 -0.0231 409 SQD a C32 +55458 C C33 A SQD DF . ? 1.7256 1.4696 1.4193 0.0281 -0.0249 -0.0253 409 SQD a C33 +55459 C C33 B SQD DF . ? 1.7267 1.4704 1.4202 0.0282 -0.0249 -0.0254 409 SQD a C33 +55460 C C34 A SQD DF . ? 1.6828 1.4233 1.3750 0.0246 -0.0289 -0.0274 409 SQD a C34 +55461 C C34 B SQD DF . ? 1.6834 1.4237 1.3754 0.0247 -0.0289 -0.0274 409 SQD a C34 +55462 C C35 A SQD DF . ? 1.6696 1.4017 1.3522 0.0259 -0.0300 -0.0298 409 SQD a C35 +55463 C C35 B SQD DF . ? 1.6708 1.4026 1.3531 0.0259 -0.0300 -0.0299 409 SQD a C35 +55464 C C36 A SQD DF . ? 1.6716 1.3976 1.3507 0.0273 -0.0285 -0.0307 409 SQD a C36 +55465 C C36 B SQD DF . ? 1.6720 1.3978 1.3509 0.0273 -0.0286 -0.0308 409 SQD a C36 +55466 C C37 A SQD DF . ? 1.7508 1.4733 1.4310 0.0238 -0.0311 -0.0323 409 SQD a C37 +55467 C C37 B SQD DF . ? 1.7524 1.4750 1.4328 0.0237 -0.0312 -0.0323 409 SQD a C37 +55468 C C38 A SQD DF . ? 1.5568 1.2717 1.2291 0.0229 -0.0339 -0.0351 409 SQD a C38 +55469 C C38 B SQD DF . ? 1.5562 1.2715 1.2292 0.0225 -0.0341 -0.0351 409 SQD a C38 +55470 C C1 A SQD DF . ? 1.1616 0.9436 0.8643 0.0218 -0.0438 -0.0164 409 SQD a C1 +55471 C C1 B SQD DF . ? 1.1610 0.9434 0.8640 0.0218 -0.0437 -0.0163 409 SQD a C1 +55472 C C2 A SQD DF . ? 1.2062 0.9899 0.9111 0.0198 -0.0487 -0.0179 409 SQD a C2 +55473 C C2 B SQD DF . ? 1.2067 0.9905 0.9116 0.0198 -0.0486 -0.0177 409 SQD a C2 +55474 O O2 A SQD DF . ? 1.1386 0.9279 0.8530 0.0172 -0.0495 -0.0175 409 SQD a O2 +55475 O O2 B SQD DF . ? 1.1342 0.9239 0.8488 0.0173 -0.0494 -0.0173 409 SQD a O2 +55476 C C3 A SQD DF . ? 1.1732 0.9572 0.8747 0.0214 -0.0490 -0.0165 409 SQD a C3 +55477 C C3 B SQD DF . ? 1.1733 0.9573 0.8746 0.0214 -0.0492 -0.0165 409 SQD a C3 +55478 O O3 A SQD DF . ? 1.2317 1.0176 0.9350 0.0201 -0.0536 -0.0176 409 SQD a O3 +55479 O O3 B SQD DF . ? 1.2410 1.0263 0.9434 0.0202 -0.0540 -0.0179 409 SQD a O3 +55480 C C4 A SQD DF . ? 1.1524 0.9302 0.8434 0.0243 -0.0477 -0.0167 409 SQD a C4 +55481 C C4 B SQD DF . ? 1.1519 0.9298 0.8428 0.0244 -0.0477 -0.0166 409 SQD a C4 +55482 O O4 A SQD DF . ? 1.2443 1.0231 0.9333 0.0258 -0.0466 -0.0146 409 SQD a O4 +55483 O O4 B SQD DF . ? 1.2465 1.0254 0.9355 0.0259 -0.0466 -0.0145 409 SQD a O4 +55484 C C5 A SQD DF . ? 1.2081 0.9833 0.8967 0.0257 -0.0434 -0.0162 409 SQD a C5 +55485 C C5 B SQD DF . ? 1.2081 0.9835 0.8968 0.0258 -0.0433 -0.0161 409 SQD a C5 +55486 C C6 A SQD DF . ? 1.2140 0.9824 0.8917 0.0284 -0.0425 -0.0170 409 SQD a C6 +55487 C C6 B SQD DF . ? 1.2122 0.9808 0.8901 0.0284 -0.0425 -0.0169 409 SQD a C6 +55488 O O5 A SQD DF . ? 1.2523 1.0279 0.9452 0.0240 -0.0435 -0.0175 409 SQD a O5 +55489 O O5 B SQD DF . ? 1.2546 1.0306 0.9478 0.0241 -0.0433 -0.0173 409 SQD a O5 +55490 S S A SQD DF . ? 1.1323 0.8995 0.8088 0.0303 -0.0370 -0.0158 409 SQD a S +55491 S S B SQD DF . ? 1.1293 0.8964 0.8057 0.0303 -0.0370 -0.0158 409 SQD a S +55492 O O7 A SQD DF . ? 1.3344 1.0958 1.0007 0.0332 -0.0353 -0.0160 409 SQD a O7 +55493 O O7 B SQD DF . ? 1.3379 1.0991 1.0039 0.0331 -0.0357 -0.0161 409 SQD a O7 +55494 O O8 A SQD DF . ? 1.2091 0.9752 0.8879 0.0293 -0.0370 -0.0174 409 SQD a O8 +55495 O O8 B SQD DF . ? 1.2086 0.9748 0.8875 0.0292 -0.0371 -0.0174 409 SQD a O8 +55496 O O9 A SQD DF . ? 1.2129 0.9856 0.8958 0.0302 -0.0335 -0.0131 409 SQD a O9 +55497 O O9 B SQD DF . ? 1.2147 0.9872 0.8971 0.0304 -0.0334 -0.0131 409 SQD a O9 +55498 O O6 . SQD EF . ? 1.5057 1.4113 1.3672 -0.0120 0.0307 0.0347 410 SQD a O6 +55499 C C44 . SQD EF . ? 1.2377 1.1409 1.0980 -0.0114 0.0267 0.0345 410 SQD a C44 +55500 C C45 . SQD EF . ? 1.2854 1.1900 1.1466 -0.0095 0.0244 0.0330 410 SQD a C45 +55501 C C46 . SQD EF . ? 1.1236 1.0315 0.9907 -0.0102 0.0214 0.0323 410 SQD a C46 +55502 O O47 . SQD EF . ? 1.3931 1.3012 1.2563 -0.0088 0.0269 0.0324 410 SQD a O47 +55503 C C7 . SQD EF . ? 1.0134 0.9193 0.8721 -0.0064 0.0266 0.0317 410 SQD a C7 +55504 O O49 . SQD EF . ? 1.2038 1.1051 1.0573 -0.0054 0.0244 0.0316 410 SQD a O49 +55505 C C8 . SQD EF . ? 1.0269 0.9362 0.8875 -0.0053 0.0289 0.0309 410 SQD a C8 +55506 C C9 . SQD EF . ? 1.2002 1.1154 1.0685 -0.0055 0.0280 0.0299 410 SQD a C9 +55507 C C10 . SQD EF . ? 0.9225 0.8367 0.7906 -0.0042 0.0243 0.0288 410 SQD a C10 +55508 C C11 . SQD EF . ? 1.1597 1.0794 1.0349 -0.0043 0.0235 0.0279 410 SQD a C11 +55509 C C12 . SQD EF . ? 1.2267 1.1449 1.1011 -0.0030 0.0200 0.0269 410 SQD a C12 +55510 C C13 . SQD EF . ? 1.3729 1.2959 1.2538 -0.0030 0.0190 0.0261 410 SQD a C13 +55511 C C14 . SQD EF . ? 1.1956 1.1166 1.0748 -0.0015 0.0162 0.0250 410 SQD a C14 +55512 C C15 . SQD EF . ? 1.0748 0.9998 0.9593 -0.0011 0.0152 0.0242 410 SQD a C15 +55513 C C16 . SQD EF . ? 1.0364 0.9586 0.9189 0.0000 0.0123 0.0232 410 SQD a C16 +55514 C C17 . SQD EF . ? 1.1811 1.1066 1.0680 0.0007 0.0115 0.0224 410 SQD a C17 +55515 C C18 . SQD EF . ? 1.0968 1.0199 0.9829 0.0008 0.0083 0.0218 410 SQD a C18 +55516 C C19 . SQD EF . ? 0.9347 0.8593 0.8246 -0.0012 0.0066 0.0221 410 SQD a C19 +55517 C C20 . SQD EF . ? 1.1906 1.1118 1.0784 -0.0013 0.0036 0.0216 410 SQD a C20 +55518 C C21 . SQD EF . ? 1.1887 1.1101 1.0784 -0.0033 0.0020 0.0221 410 SQD a C21 +55519 C C22 . SQD EF . ? 1.3871 1.3129 1.2826 -0.0044 0.0023 0.0224 410 SQD a C22 +55520 O O48 . SQD EF . ? 1.1724 1.0853 1.0460 -0.0120 0.0231 0.0324 410 SQD a O48 +55521 C C23 . SQD EF . ? 1.2781 1.1960 1.1580 -0.0119 0.0217 0.0313 410 SQD a C23 +55522 O O10 . SQD EF . ? 1.3435 1.2616 1.2229 -0.0102 0.0204 0.0303 410 SQD a O10 +55523 C C24 . SQD EF . ? 1.1101 1.0325 0.9968 -0.0140 0.0220 0.0314 410 SQD a C24 +55524 C C25 . SQD EF . ? 1.1093 1.0374 1.0011 -0.0140 0.0242 0.0307 410 SQD a C25 +55525 C C26 . SQD EF . ? 1.1632 1.0957 1.0617 -0.0161 0.0243 0.0307 410 SQD a C26 +55526 C C27 . SQD EF . ? 1.0787 1.0164 0.9817 -0.0169 0.0275 0.0305 410 SQD a C27 +55527 C C28 . SQD EF . ? 1.3218 1.2647 1.2300 -0.0157 0.0266 0.0292 410 SQD a C28 +55528 C C29 . SQD EF . ? 1.1600 1.1091 1.0750 -0.0173 0.0285 0.0289 410 SQD a C29 +55529 C C30 . SQD EF . ? 1.5404 1.4945 1.4594 -0.0155 0.0283 0.0276 410 SQD a C30 +55530 C C31 . SQD EF . ? 1.6264 1.5802 1.5462 -0.0141 0.0246 0.0269 410 SQD a C31 +55531 C C32 . SQD EF . ? 1.5409 1.4978 1.4625 -0.0116 0.0245 0.0257 410 SQD a C32 +55532 C C33 . SQD EF . ? 1.4573 1.4139 1.3798 -0.0105 0.0210 0.0250 410 SQD a C33 +55533 C C34 . SQD EF . ? 1.4558 1.4181 1.3850 -0.0109 0.0202 0.0242 410 SQD a C34 +55534 C C35 . SQD EF . ? 1.4244 1.3858 1.3538 -0.0097 0.0169 0.0236 410 SQD a C35 +55535 C C36 . SQD EF . ? 1.3797 1.3467 1.3152 -0.0094 0.0161 0.0227 410 SQD a C36 +55536 C C37 . SQD EF . ? 1.2637 1.2291 1.1984 -0.0079 0.0130 0.0221 410 SQD a C37 +55537 C C38 . SQD EF . ? 1.3589 1.3293 1.2990 -0.0073 0.0120 0.0213 410 SQD a C38 +55538 C C1 . SQD EF . ? 1.7827 1.6839 1.6382 -0.0123 0.0334 0.0360 410 SQD a C1 +55539 C C2 . SQD EF . ? 1.6176 1.5217 1.4741 -0.0124 0.0376 0.0359 410 SQD a C2 +55540 O O2 . SQD EF . ? 1.2607 1.1663 1.1169 -0.0101 0.0372 0.0347 410 SQD a O2 +55541 C C3 . SQD EF . ? 1.7608 1.6598 1.6103 -0.0126 0.0407 0.0373 410 SQD a C3 +55542 O O3 . SQD EF . ? 1.8101 1.7128 1.6628 -0.0140 0.0450 0.0375 410 SQD a O3 +55543 C C4 . SQD EF . ? 1.8054 1.6994 1.6513 -0.0140 0.0398 0.0386 410 SQD a C4 +55544 O O4 . SQD EF . ? 1.9023 1.7900 1.7404 -0.0120 0.0376 0.0389 410 SQD a O4 +55545 C C5 . SQD EF . ? 1.7455 1.6418 1.5971 -0.0156 0.0371 0.0385 410 SQD a C5 +55546 C C6 . SQD EF . ? 2.0322 1.9333 1.8904 -0.0183 0.0398 0.0388 410 SQD a C6 +55547 O O5 . SQD EF . ? 1.8472 1.7466 1.7027 -0.0144 0.0336 0.0371 410 SQD a O5 +55548 S S . SQD EF . ? 1.8051 1.7076 1.6683 -0.0201 0.0371 0.0388 410 SQD a S +55549 O O7 . SQD EF . ? 1.3497 1.2486 1.2098 -0.0186 0.0329 0.0386 410 SQD a O7 +55550 O O8 . SQD EF . ? 1.3882 1.2881 1.2501 -0.0226 0.0394 0.0402 410 SQD a O8 +55551 O O9 . SQD EF . ? 1.3577 1.2675 1.2294 -0.0209 0.0369 0.0376 410 SQD a O9 +55552 O O1 A OEX FF . ? 0.7394 0.5588 0.5520 0.0385 -0.0113 0.0064 411 OEX a O1 +55553 O O1 B OEX FF . ? 0.7363 0.5548 0.5483 0.0386 -0.0113 0.0063 411 OEX a O1 +55554 CA CA1 A OEX FF . ? 0.8302 0.6637 0.6525 0.0370 -0.0100 0.0065 411 OEX a CA1 +55555 CA CA1 B OEX FF . ? 0.8083 0.6405 0.6296 0.0370 -0.0100 0.0064 411 OEX a CA1 +55556 MN MN1 A OEX FF . ? 0.7568 0.5755 0.5712 0.0338 -0.0123 0.0072 411 OEX a MN1 +55557 MN MN1 B OEX FF . ? 0.7538 0.5724 0.5681 0.0339 -0.0123 0.0072 411 OEX a MN1 +55558 O O2 A OEX FF . ? 0.7673 0.6026 0.5912 0.0424 -0.0106 0.0074 411 OEX a O2 +55559 O O2 B OEX FF . ? 0.7651 0.6003 0.5891 0.0421 -0.0107 0.0075 411 OEX a O2 +55560 MN MN2 A OEX FF . ? 0.7728 0.5959 0.5877 0.0430 -0.0113 0.0070 411 OEX a MN2 +55561 MN MN2 B OEX FF . ? 0.7736 0.5969 0.5887 0.0430 -0.0113 0.0070 411 OEX a MN2 +55562 O O3 A OEX FF . ? 0.7284 0.5531 0.5468 0.0379 -0.0124 0.0080 411 OEX a O3 +55563 O O3 B OEX FF . ? 0.7288 0.5533 0.5471 0.0379 -0.0124 0.0080 411 OEX a O3 +55564 MN MN3 A OEX FF . ? 0.7656 0.6034 0.5935 0.0383 -0.0118 0.0085 411 OEX a MN3 +55565 MN MN3 B OEX FF . ? 0.7657 0.6032 0.5934 0.0381 -0.0118 0.0085 411 OEX a MN3 +55566 O O4 A OEX FF . ? 0.7512 0.6012 0.5879 0.0389 -0.0111 0.0090 411 OEX a O4 +55567 O O4 B OEX FF . ? 0.7455 0.5955 0.5824 0.0382 -0.0112 0.0091 411 OEX a O4 +55568 MN MN4 A OEX FF . ? 0.7283 0.5780 0.5660 0.0327 -0.0112 0.0091 411 OEX a MN4 +55569 MN MN4 B OEX FF . ? 0.7420 0.5923 0.5804 0.0322 -0.0113 0.0092 411 OEX a MN4 +55570 O O5 A OEX FF . ? 0.7751 0.6106 0.6021 0.0328 -0.0117 0.0081 411 OEX a O5 +55571 O O5 B OEX FF . ? 0.7759 0.6116 0.6030 0.0328 -0.0117 0.0081 411 OEX a O5 +55572 C C2 A PL9 GF . ? 1.3633 1.1991 1.1448 -0.0009 -0.0617 -0.0159 412 PL9 a C2 +55573 C C2 B PL9 GF . ? 1.3632 1.1993 1.1451 -0.0009 -0.0617 -0.0158 412 PL9 a C2 +55574 C C3 A PL9 GF . ? 1.4312 1.2707 1.2178 -0.0009 -0.0588 -0.0135 412 PL9 a C3 +55575 C C3 B PL9 GF . ? 1.4346 1.2742 1.2215 -0.0009 -0.0588 -0.0135 412 PL9 a C3 +55576 C C4 A PL9 GF . ? 1.3841 1.2265 1.1719 0.0005 -0.0586 -0.0116 412 PL9 a C4 +55577 C C4 B PL9 GF . ? 1.3874 1.2298 1.1753 0.0005 -0.0585 -0.0116 412 PL9 a C4 +55578 C C5 A PL9 GF . ? 1.4250 1.2659 1.2078 0.0023 -0.0613 -0.0121 412 PL9 a C5 +55579 C C5 B PL9 GF . ? 1.4285 1.2694 1.2114 0.0023 -0.0612 -0.0120 412 PL9 a C5 +55580 C C6 A PL9 GF . ? 1.3462 1.1833 1.1236 0.0024 -0.0643 -0.0146 412 PL9 a C6 +55581 C C6 B PL9 GF . ? 1.3456 1.1827 1.1230 0.0024 -0.0642 -0.0145 412 PL9 a C6 +55582 C C1 A PL9 GF . ? 1.4590 1.2938 1.2362 0.0006 -0.0645 -0.0165 412 PL9 a C1 +55583 C C1 B PL9 GF . ? 1.4611 1.2959 1.2384 0.0006 -0.0644 -0.0165 412 PL9 a C1 +55584 C C7 A PL9 GF . ? 1.3015 1.1420 1.0928 -0.0026 -0.0563 -0.0131 412 PL9 a C7 +55585 C C7 B PL9 GF . ? 1.3004 1.1412 1.0920 -0.0026 -0.0562 -0.0130 412 PL9 a C7 +55586 C C8 A PL9 GF . ? 1.4581 1.2939 1.2456 -0.0030 -0.0560 -0.0147 412 PL9 a C8 +55587 C C8 B PL9 GF . ? 1.4605 1.2964 1.2481 -0.0030 -0.0558 -0.0146 412 PL9 a C8 +55588 C C9 A PL9 GF . ? 1.3984 1.2340 1.1884 -0.0040 -0.0535 -0.0142 412 PL9 a C9 +55589 C C9 B PL9 GF . ? 1.4003 1.2359 1.1904 -0.0039 -0.0533 -0.0141 412 PL9 a C9 +55590 C C10 A PL9 GF . ? 1.2969 1.1371 1.0934 -0.0044 -0.0511 -0.0121 412 PL9 a C10 +55591 C C10 B PL9 GF . ? 1.2994 1.1397 1.0960 -0.0043 -0.0509 -0.0119 412 PL9 a C10 +55592 C C11 A PL9 GF . ? 1.2993 1.1294 1.0844 -0.0038 -0.0526 -0.0154 412 PL9 a C11 +55593 C C11 B PL9 GF . ? 1.2978 1.1279 1.0830 -0.0037 -0.0524 -0.0153 412 PL9 a C11 +55594 C C12 A PL9 GF . ? 1.5027 1.3300 1.2854 -0.0054 -0.0560 -0.0183 412 PL9 a C12 +55595 C C12 B PL9 GF . ? 1.5042 1.3317 1.2872 -0.0054 -0.0558 -0.0181 412 PL9 a C12 +55596 C C13 A PL9 GF . ? 1.5546 1.3820 1.3415 -0.0081 -0.0557 -0.0192 412 PL9 a C13 +55597 C C13 B PL9 GF . ? 1.5582 1.3857 1.3452 -0.0080 -0.0554 -0.0190 412 PL9 a C13 +55598 C C14 A PL9 GF . ? 1.4863 1.3094 1.2702 -0.0094 -0.0569 -0.0214 412 PL9 a C14 +55599 C C14 B PL9 GF . ? 1.4855 1.3088 1.2696 -0.0094 -0.0568 -0.0212 412 PL9 a C14 +55600 C C15 A PL9 GF . ? 1.5516 1.3694 1.3276 -0.0082 -0.0587 -0.0231 412 PL9 a C15 +55601 C C15 B PL9 GF . ? 1.5496 1.3679 1.3260 -0.0082 -0.0588 -0.0230 412 PL9 a C15 +55602 C C16 A PL9 GF . ? 1.6275 1.4505 1.4156 -0.0121 -0.0560 -0.0219 412 PL9 a C16 +55603 C C16 B PL9 GF . ? 1.6299 1.4529 1.4179 -0.0120 -0.0559 -0.0218 412 PL9 a C16 +55604 C C17 A PL9 GF . ? 1.5961 1.4137 1.3801 -0.0136 -0.0576 -0.0244 412 PL9 a C17 +55605 C C17 B PL9 GF . ? 1.5966 1.4142 1.3804 -0.0135 -0.0576 -0.0244 412 PL9 a C17 +55606 C C18 A PL9 GF . ? 1.5476 1.3683 1.3369 -0.0171 -0.0604 -0.0262 412 PL9 a C18 +55607 C C18 B PL9 GF . ? 1.5478 1.3685 1.3369 -0.0170 -0.0605 -0.0262 412 PL9 a C18 +55608 C C19 A PL9 GF . ? 1.6510 1.4686 1.4372 -0.0186 -0.0633 -0.0289 412 PL9 a C19 +55609 C C19 B PL9 GF . ? 1.6527 1.4702 1.4388 -0.0186 -0.0632 -0.0289 412 PL9 a C19 +55610 C C20 A PL9 GF . ? 1.7134 1.5241 1.4906 -0.0167 -0.0637 -0.0301 412 PL9 a C20 +55611 C C20 B PL9 GF . ? 1.7151 1.5256 1.4923 -0.0168 -0.0636 -0.0301 412 PL9 a C20 +55612 C C21 A PL9 GF . ? 1.5974 1.4186 1.3893 -0.0222 -0.0661 -0.0308 412 PL9 a C21 +55613 C C21 B PL9 GF . ? 1.5988 1.4200 1.3906 -0.0222 -0.0660 -0.0307 412 PL9 a C21 +55614 C C22 A PL9 GF . ? 1.5625 1.3814 1.3563 -0.0252 -0.0649 -0.0316 412 PL9 a C22 +55615 C C22 B PL9 GF . ? 1.5632 1.3820 1.3569 -0.0251 -0.0650 -0.0316 412 PL9 a C22 +55616 C C23 A PL9 GF . ? 1.4476 1.2706 1.2474 -0.0289 -0.0676 -0.0334 412 PL9 a C23 +55617 C C23 B PL9 GF . ? 1.4472 1.2701 1.2469 -0.0288 -0.0676 -0.0335 412 PL9 a C23 +55618 C C24 A PL9 GF . ? 1.4948 1.3160 1.2964 -0.0322 -0.0675 -0.0348 412 PL9 a C24 +55619 C C24 B PL9 GF . ? 1.4956 1.3165 1.2970 -0.0321 -0.0674 -0.0348 412 PL9 a C24 +55620 C C25 A PL9 GF . ? 1.5943 1.4084 1.3912 -0.0321 -0.0649 -0.0347 412 PL9 a C25 +55621 C C25 B PL9 GF . ? 1.5948 1.4089 1.3916 -0.0320 -0.0648 -0.0345 412 PL9 a C25 +55622 C C26 A PL9 GF . ? 1.5158 1.3416 1.3238 -0.0359 -0.0700 -0.0368 412 PL9 a C26 +55623 C C26 B PL9 GF . ? 1.5179 1.3435 1.3258 -0.0359 -0.0698 -0.0367 412 PL9 a C26 +55624 C C27 A PL9 GF . ? 1.5861 1.4067 1.3918 -0.0390 -0.0708 -0.0392 412 PL9 a C27 +55625 C C27 B PL9 GF . ? 1.5874 1.4080 1.3932 -0.0391 -0.0706 -0.0392 412 PL9 a C27 +55626 C C28 A PL9 GF . ? 1.5246 1.3492 1.3345 -0.0421 -0.0743 -0.0419 412 PL9 a C28 +55627 C C28 B PL9 GF . ? 1.5261 1.3509 1.3365 -0.0423 -0.0741 -0.0418 412 PL9 a C28 +55628 C C29 A PL9 GF . ? 1.5379 1.3588 1.3463 -0.0453 -0.0757 -0.0445 412 PL9 a C29 +55629 C C29 B PL9 GF . ? 1.5380 1.3590 1.3466 -0.0452 -0.0757 -0.0445 412 PL9 a C29 +55630 C C30 A PL9 GF . ? 1.5041 1.3163 1.3061 -0.0454 -0.0737 -0.0447 412 PL9 a C30 +55631 C C30 B PL9 GF . ? 1.5050 1.3170 1.3063 -0.0451 -0.0740 -0.0449 412 PL9 a C30 +55632 C C31 A PL9 GF . ? 1.5111 1.3364 1.3242 -0.0485 -0.0793 -0.0473 412 PL9 a C31 +55633 C C31 B PL9 GF . ? 1.5107 1.3364 1.3244 -0.0486 -0.0792 -0.0472 412 PL9 a C31 +55634 C C32 A PL9 GF . ? 1.5225 1.3419 1.3324 -0.0517 -0.0803 -0.0500 412 PL9 a C32 +55635 C C32 B PL9 GF . ? 1.5233 1.3430 1.3331 -0.0515 -0.0805 -0.0500 412 PL9 a C32 +55636 C C33 A PL9 GF . ? 1.4972 1.3207 1.3109 -0.0547 -0.0843 -0.0532 412 PL9 a C33 +55637 C C33 B PL9 GF . ? 1.4977 1.3215 1.3114 -0.0545 -0.0845 -0.0532 412 PL9 a C33 +55638 C C34 A PL9 GF . ? 1.5262 1.3447 1.3351 -0.0562 -0.0866 -0.0560 412 PL9 a C34 +55639 C C34 B PL9 GF . ? 1.5279 1.3465 1.3369 -0.0562 -0.0866 -0.0560 412 PL9 a C34 +55640 C C35 A PL9 GF . ? 1.4992 1.3081 1.2984 -0.0541 -0.0852 -0.0557 412 PL9 a C35 +55641 C C35 B PL9 GF . ? 1.5001 1.3091 1.2996 -0.0543 -0.0851 -0.0558 412 PL9 a C35 +55642 C C36 A PL9 GF . ? 1.4797 1.3023 1.2926 -0.0594 -0.0907 -0.0593 412 PL9 a C36 +55643 C C36 B PL9 GF . ? 1.4802 1.3028 1.2932 -0.0594 -0.0907 -0.0594 412 PL9 a C36 +55644 C C37 A PL9 GF . ? 1.4356 1.2622 1.2477 -0.0563 -0.0941 -0.0597 412 PL9 a C37 +55645 C C37 B PL9 GF . ? 1.4353 1.2624 1.2480 -0.0564 -0.0941 -0.0597 412 PL9 a C37 +55646 C C38 A PL9 GF . ? 1.4222 1.2531 1.2383 -0.0593 -0.0984 -0.0632 412 PL9 a C38 +55647 C C38 B PL9 GF . ? 1.4211 1.2524 1.2377 -0.0595 -0.0984 -0.0632 412 PL9 a C38 +55648 C C39 A PL9 GF . ? 1.5009 1.3378 1.3193 -0.0576 -0.1017 -0.0639 412 PL9 a C39 +55649 C C39 B PL9 GF . ? 1.5011 1.3383 1.3199 -0.0577 -0.1017 -0.0638 412 PL9 a C39 +55650 C C40 A PL9 GF . ? 1.4230 1.2625 1.2405 -0.0528 -0.1010 -0.0609 412 PL9 a C40 +55651 C C40 B PL9 GF . ? 1.4227 1.2622 1.2402 -0.0528 -0.1009 -0.0609 412 PL9 a C40 +55652 C C41 A PL9 GF . ? 1.6327 1.4742 1.4555 -0.0606 -0.1062 -0.0675 412 PL9 a C41 +55653 C C41 B PL9 GF . ? 1.6341 1.4758 1.4571 -0.0606 -0.1062 -0.0675 412 PL9 a C41 +55654 C C42 A PL9 GF . ? 1.6388 1.4906 1.4712 -0.0609 -0.1073 -0.0671 412 PL9 a C42 +55655 C C42 B PL9 GF . ? 1.6401 1.4923 1.4729 -0.0609 -0.1073 -0.0671 412 PL9 a C42 +55656 C C43 A PL9 GF . ? 1.5561 1.4113 1.3964 -0.0648 -0.1044 -0.0666 412 PL9 a C43 +55657 C C43 B PL9 GF . ? 1.5561 1.4116 1.3967 -0.0649 -0.1044 -0.0666 412 PL9 a C43 +55658 C C44 A PL9 GF . ? 1.5416 1.4059 1.3914 -0.0664 -0.1053 -0.0670 412 PL9 a C44 +55659 C C44 B PL9 GF . ? 1.5421 1.4066 1.3922 -0.0665 -0.1053 -0.0670 412 PL9 a C44 +55660 C C45 A PL9 GF . ? 1.5793 1.4505 1.4320 -0.0645 -0.1096 -0.0683 412 PL9 a C45 +55661 C C45 B PL9 GF . ? 1.5796 1.4511 1.4327 -0.0645 -0.1095 -0.0683 412 PL9 a C45 +55662 C C46 A PL9 GF . ? 1.4142 1.2817 1.2716 -0.0705 -0.1024 -0.0667 412 PL9 a C46 +55663 C C46 B PL9 GF . ? 1.4127 1.2802 1.2702 -0.0706 -0.1023 -0.0668 412 PL9 a C46 +55664 C C47 A PL9 GF . ? 1.6010 1.4637 1.4571 -0.0752 -0.1026 -0.0695 412 PL9 a C47 +55665 C C47 B PL9 GF . ? 1.6017 1.4642 1.4577 -0.0752 -0.1026 -0.0695 412 PL9 a C47 +55666 C C48 A PL9 GF . ? 1.5940 1.4601 1.4579 -0.0798 -0.1001 -0.0697 412 PL9 a C48 +55667 C C48 B PL9 GF . ? 1.5950 1.4610 1.4588 -0.0799 -0.1001 -0.0698 412 PL9 a C48 +55668 C C49 A PL9 GF . ? 1.6355 1.4952 1.4969 -0.0833 -0.0981 -0.0705 412 PL9 a C49 +55669 C C49 B PL9 GF . ? 1.6365 1.4960 1.4979 -0.0835 -0.0981 -0.0705 412 PL9 a C49 +55670 C C50 A PL9 GF . ? 1.6548 1.5174 1.5235 -0.0880 -0.0954 -0.0706 412 PL9 a C50 +55671 C C50 B PL9 GF . ? 1.6561 1.5185 1.5247 -0.0882 -0.0955 -0.0708 412 PL9 a C50 +55672 C C51 A PL9 GF . ? 1.7429 1.5920 1.5939 -0.0823 -0.0979 -0.0709 412 PL9 a C51 +55673 C C51 B PL9 GF . ? 1.7443 1.5932 1.5952 -0.0824 -0.0978 -0.0708 412 PL9 a C51 +55674 C C52 A PL9 GF . ? 1.1706 1.0136 0.9538 0.0038 -0.0610 -0.0101 412 PL9 a C52 +55675 C C52 B PL9 GF . ? 1.1691 1.0120 0.9522 0.0039 -0.0609 -0.0100 412 PL9 a C52 +55676 C C53 A PL9 GF . ? 1.4007 1.2361 1.1726 0.0043 -0.0674 -0.0152 412 PL9 a C53 +55677 C C53 B PL9 GF . ? 1.4025 1.2378 1.1744 0.0042 -0.0673 -0.0152 412 PL9 a C53 +55678 O O1 A PL9 GF . ? 1.2117 1.0572 1.0041 0.0004 -0.0561 -0.0096 412 PL9 a O1 +55679 O O1 B PL9 GF . ? 1.2130 1.0585 1.0054 0.0004 -0.0559 -0.0095 412 PL9 a O1 +55680 O O2 A PL9 GF . ? 1.5398 1.3715 1.3128 0.0004 -0.0672 -0.0188 412 PL9 a O2 +55681 O O2 B PL9 GF . ? 1.5440 1.3757 1.3169 0.0005 -0.0671 -0.0187 412 PL9 a O2 +55682 C C10 . UNL HF . ? 1.5734 1.5139 1.4556 -0.0142 0.0679 0.0332 413 UNL a C10 +55683 C C11 . UNL HF . ? 1.7597 1.7051 1.6460 -0.0114 0.0663 0.0314 413 UNL a C11 +55684 C C12 . UNL HF . ? 1.5346 1.4881 1.4310 -0.0127 0.0655 0.0305 413 UNL a C12 +55685 C C23 . UNL HF . ? 1.7812 1.6999 1.6477 -0.0148 0.0534 0.0357 413 UNL a C23 +55686 C C24 . UNL HF . ? 1.6141 1.5389 1.4870 -0.0133 0.0518 0.0341 413 UNL a C24 +55687 C C25 . UNL HF . ? 1.5532 1.4823 1.4280 -0.0124 0.0556 0.0334 413 UNL a C25 +55688 C C26 . UNL HF . ? 1.3934 1.3271 1.2726 -0.0101 0.0537 0.0318 413 UNL a C26 +55689 C C27 . UNL HF . ? 1.3610 1.2997 1.2480 -0.0113 0.0511 0.0312 413 UNL a C27 +55690 C C28 . UNL HF . ? 1.2772 1.2204 1.1682 -0.0089 0.0497 0.0296 413 UNL a C28 +55691 C C29 . UNL HF . ? 1.5352 1.4831 1.4335 -0.0098 0.0468 0.0289 413 UNL a C29 +55692 C C30 . UNL HF . ? 1.5503 1.4937 1.4462 -0.0102 0.0427 0.0293 413 UNL a C30 +55693 C C31 . UNL HF . ? 1.3963 1.3437 1.2982 -0.0100 0.0396 0.0283 413 UNL a C31 +55694 C C32 . UNL HF . ? 1.5184 1.4722 1.4281 -0.0122 0.0408 0.0282 413 UNL a C32 +55695 C C33 . UNL HF . ? 1.2326 1.1912 1.1483 -0.0114 0.0382 0.0270 413 UNL a C33 +55696 C C34 . UNL HF . ? 1.5030 1.4653 1.4247 -0.0141 0.0375 0.0270 413 UNL a C34 +55697 C C35 . UNL HF . ? 1.6701 1.6383 1.5985 -0.0132 0.0357 0.0258 413 UNL a C35 +55698 C C36 . UNL HF . ? 1.5503 1.5164 1.4762 -0.0104 0.0329 0.0250 413 UNL a C36 +55699 C C37 . UNL HF . ? 1.6904 1.6619 1.6224 -0.0094 0.0311 0.0239 413 UNL a C37 +55700 C C38 . UNL HF . ? 1.5045 1.4736 1.4338 -0.0066 0.0285 0.0232 413 UNL a C38 +55701 C C4 . UNL HF . ? 1.8941 1.7915 1.7313 -0.0137 0.0627 0.0398 413 UNL a C4 +55702 C C5 . UNL HF . ? 1.7533 1.6589 1.5998 -0.0135 0.0618 0.0382 413 UNL a C5 +55703 C C6 . UNL HF . ? 1.6803 1.5878 1.5319 -0.0142 0.0574 0.0378 413 UNL a C6 +55704 C C7 . UNL HF . ? 1.7394 1.6569 1.5967 -0.0139 0.0670 0.0368 413 UNL a C7 +55705 C C8 . UNL HF . ? 1.4857 1.4121 1.3535 -0.0154 0.0679 0.0358 413 UNL a C8 +55706 C C9 . UNL HF . ? 1.2542 1.1859 1.1258 -0.0128 0.0677 0.0341 413 UNL a C9 +55707 O O10 . UNL HF . ? 2.1160 2.0324 1.9823 -0.0164 0.0518 0.0365 413 UNL a O10 +55708 O O6 . UNL HF . ? 1.7783 1.6737 1.6103 -0.0126 0.0665 0.0401 413 UNL a O6 +55709 O O7 . UNL HF . ? 1.9338 1.8453 1.7865 -0.0156 0.0658 0.0382 413 UNL a O7 +55710 O O8 . UNL HF . ? 1.7492 1.6645 1.6095 -0.0141 0.0571 0.0364 413 UNL a O8 +55711 O O9 . UNL HF . ? 1.9735 1.8888 1.8260 -0.0113 0.0672 0.0363 413 UNL a O9 +55712 C CHA A PHO IF . ? 0.8645 0.7164 0.6931 -0.0245 -0.0584 -0.0207 414 PHO a CHA +55713 C CHA B PHO IF . ? 0.8651 0.7172 0.6939 -0.0245 -0.0585 -0.0207 414 PHO a CHA +55714 C CHB A PHO IF . ? 0.8553 0.6910 0.6758 -0.0263 -0.0512 -0.0205 414 PHO a CHB +55715 C CHB B PHO IF . ? 0.8556 0.6916 0.6764 -0.0264 -0.0513 -0.0205 414 PHO a CHB +55716 C CHC A PHO IF . ? 0.6924 0.5411 0.5264 -0.0226 -0.0436 -0.0124 414 PHO a CHC +55717 C CHC B PHO IF . ? 0.6906 0.5392 0.5244 -0.0225 -0.0436 -0.0124 414 PHO a CHC +55718 C CHD A PHO IF . ? 0.7034 0.5658 0.5433 -0.0206 -0.0497 -0.0122 414 PHO a CHD +55719 C CHD B PHO IF . ? 0.7012 0.5639 0.5414 -0.0206 -0.0497 -0.0121 414 PHO a CHD +55720 N NA A PHO IF . ? 0.8287 0.6737 0.6550 -0.0259 -0.0543 -0.0203 414 PHO a NA +55721 N NA B PHO IF . ? 0.8277 0.6730 0.6541 -0.0258 -0.0544 -0.0203 414 PHO a NA +55722 C C1A A PHO IF . ? 0.8408 0.6874 0.6666 -0.0260 -0.0572 -0.0217 414 PHO a C1A +55723 C C1A B PHO IF . ? 0.8404 0.6873 0.6664 -0.0259 -0.0573 -0.0217 414 PHO a C1A +55724 C C2A A PHO IF . ? 0.8903 0.7328 0.7124 -0.0275 -0.0595 -0.0243 414 PHO a C2A +55725 C C2A B PHO IF . ? 0.8908 0.7335 0.7130 -0.0275 -0.0595 -0.0243 414 PHO a C2A +55726 C C3A A PHO IF . ? 0.8487 0.6852 0.6669 -0.0274 -0.0570 -0.0241 414 PHO a C3A +55727 C C3A B PHO IF . ? 0.8485 0.6854 0.6672 -0.0276 -0.0571 -0.0241 414 PHO a C3A +55728 C C4A A PHO IF . ? 0.8712 0.7106 0.6932 -0.0265 -0.0540 -0.0214 414 PHO a C4A +55729 C C4A B PHO IF . ? 0.8721 0.7119 0.6944 -0.0265 -0.0541 -0.0215 414 PHO a C4A +55730 C CMA A PHO IF . ? 0.8335 0.6644 0.6436 -0.0245 -0.0567 -0.0242 414 PHO a CMA +55731 C CMA B PHO IF . ? 0.8233 0.6541 0.6338 -0.0250 -0.0568 -0.0244 414 PHO a CMA +55732 C CAA A PHO IF . ? 0.8275 0.6734 0.6553 -0.0312 -0.0614 -0.0261 414 PHO a CAA +55733 C CAA B PHO IF . ? 0.8263 0.6725 0.6542 -0.0311 -0.0616 -0.0262 414 PHO a CAA +55734 C CBA A PHO IF . ? 0.8819 0.7235 0.7057 -0.0328 -0.0638 -0.0289 414 PHO a CBA +55735 C CBA B PHO IF . ? 0.8812 0.7228 0.7049 -0.0327 -0.0637 -0.0289 414 PHO a CBA +55736 C CGA A PHO IF . ? 0.8784 0.7230 0.7079 -0.0368 -0.0653 -0.0308 414 PHO a CGA +55737 C CGA B PHO IF . ? 0.8781 0.7227 0.7075 -0.0368 -0.0653 -0.0308 414 PHO a CGA +55738 O O1A A PHO IF . ? 0.8442 0.6940 0.6804 -0.0383 -0.0645 -0.0300 414 PHO a O1A +55739 O O1A B PHO IF . ? 0.8460 0.6957 0.6821 -0.0383 -0.0647 -0.0301 414 PHO a O1A +55740 O O2A A PHO IF . ? 0.9667 0.8079 0.7937 -0.0391 -0.0676 -0.0337 414 PHO a O2A +55741 O O2A B PHO IF . ? 0.9676 0.8087 0.7944 -0.0390 -0.0676 -0.0337 414 PHO a O2A +55742 N NB A PHO IF . ? 0.8411 0.6844 0.6691 -0.0244 -0.0477 -0.0164 414 PHO a NB +55743 N NB B PHO IF . ? 0.8429 0.6862 0.6708 -0.0244 -0.0477 -0.0164 414 PHO a NB +55744 C C1B A PHO IF . ? 0.8467 0.6844 0.6702 -0.0253 -0.0483 -0.0181 414 PHO a C1B +55745 C C1B B PHO IF . ? 0.8473 0.6851 0.6709 -0.0254 -0.0483 -0.0181 414 PHO a C1B +55746 C C2B A PHO IF . ? 0.8113 0.6447 0.6327 -0.0251 -0.0458 -0.0175 414 PHO a C2B +55747 C C2B B PHO IF . ? 0.8115 0.6449 0.6329 -0.0251 -0.0459 -0.0175 414 PHO a C2B +55748 C C3B A PHO IF . ? 0.7734 0.6109 0.5990 -0.0239 -0.0437 -0.0151 414 PHO a C3B +55749 C C3B B PHO IF . ? 0.7732 0.6107 0.5987 -0.0239 -0.0437 -0.0151 414 PHO a C3B +55750 C C4B A PHO IF . ? 0.8150 0.6584 0.6444 -0.0237 -0.0450 -0.0146 414 PHO a C4B +55751 C C4B B PHO IF . ? 0.8168 0.6602 0.6461 -0.0236 -0.0450 -0.0146 414 PHO a C4B +55752 C CMB A PHO IF . ? 0.8235 0.6498 0.6396 -0.0258 -0.0457 -0.0190 414 PHO a CMB +55753 C CMB B PHO IF . ? 0.8231 0.6495 0.6394 -0.0259 -0.0458 -0.0190 414 PHO a CMB +55754 C CAB A PHO IF . ? 0.6941 0.5304 0.5201 -0.0230 -0.0409 -0.0135 414 PHO a CAB +55755 C CAB B PHO IF . ? 0.6926 0.5288 0.5184 -0.0230 -0.0409 -0.0135 414 PHO a CAB +55756 C CBB A PHO IF . ? 0.7110 0.5429 0.5353 -0.0243 -0.0402 -0.0141 414 PHO a CBB +55757 C CBB B PHO IF . ? 0.7101 0.5420 0.5344 -0.0244 -0.0402 -0.0141 414 PHO a CBB +55758 N NC A PHO IF . ? 0.7186 0.5738 0.5551 -0.0220 -0.0471 -0.0128 414 PHO a NC +55759 N NC B PHO IF . ? 0.7184 0.5736 0.5549 -0.0220 -0.0472 -0.0129 414 PHO a NC +55760 C C1C A PHO IF . ? 0.6673 0.5208 0.5036 -0.0215 -0.0445 -0.0116 414 PHO a C1C +55761 C C1C B PHO IF . ? 0.6650 0.5185 0.5014 -0.0216 -0.0445 -0.0116 414 PHO a C1C +55762 C C2C A PHO IF . ? 0.7253 0.5824 0.5646 -0.0200 -0.0425 -0.0093 414 PHO a C2C +55763 C C2C B PHO IF . ? 0.7259 0.5832 0.5655 -0.0201 -0.0426 -0.0093 414 PHO a C2C +55764 C C3C A PHO IF . ? 0.7003 0.5615 0.5415 -0.0195 -0.0442 -0.0091 414 PHO a C3C +55765 C C3C B PHO IF . ? 0.6995 0.5608 0.5410 -0.0196 -0.0443 -0.0092 414 PHO a C3C +55766 C C4C A PHO IF . ? 0.7220 0.5815 0.5611 -0.0207 -0.0471 -0.0114 414 PHO a C4C +55767 C C4C B PHO IF . ? 0.7215 0.5811 0.5607 -0.0208 -0.0471 -0.0114 414 PHO a C4C +55768 C CMC A PHO IF . ? 0.6963 0.5531 0.5365 -0.0191 -0.0397 -0.0076 414 PHO a CMC +55769 C CMC B PHO IF . ? 0.6975 0.5544 0.5380 -0.0192 -0.0397 -0.0076 414 PHO a CMC +55770 C CAC A PHO IF . ? 0.7031 0.5687 0.5473 -0.0181 -0.0434 -0.0073 414 PHO a CAC +55771 C CAC B PHO IF . ? 0.7064 0.5722 0.5511 -0.0183 -0.0434 -0.0072 414 PHO a CAC +55772 C CBC A PHO IF . ? 0.7008 0.5716 0.5512 -0.0200 -0.0448 -0.0075 414 PHO a CBC +55773 C CBC B PHO IF . ? 0.7011 0.5721 0.5519 -0.0201 -0.0448 -0.0074 414 PHO a CBC +55774 N ND A PHO IF . ? 0.8204 0.6763 0.6544 -0.0228 -0.0529 -0.0162 414 PHO a ND +55775 N ND B PHO IF . ? 0.8204 0.6766 0.6547 -0.0228 -0.0530 -0.0161 414 PHO a ND +55776 C C1D A PHO IF . ? 0.8180 0.6784 0.6553 -0.0216 -0.0526 -0.0145 414 PHO a C1D +55777 C C1D B PHO IF . ? 0.8188 0.6796 0.6564 -0.0216 -0.0527 -0.0145 414 PHO a C1D +55778 C C2D A PHO IF . ? 0.8075 0.6705 0.6448 -0.0208 -0.0553 -0.0152 414 PHO a C2D +55779 C C2D B PHO IF . ? 0.8086 0.6720 0.6462 -0.0209 -0.0554 -0.0152 414 PHO a C2D +55780 C C3D A PHO IF . ? 0.8522 0.7118 0.6861 -0.0220 -0.0576 -0.0177 414 PHO a C3D +55781 C C3D B PHO IF . ? 0.8513 0.7113 0.6855 -0.0221 -0.0577 -0.0177 414 PHO a C3D +55782 C C4D A PHO IF . ? 0.9267 0.7823 0.7589 -0.0232 -0.0561 -0.0181 414 PHO a C4D +55783 C C4D B PHO IF . ? 0.9305 0.7864 0.7629 -0.0232 -0.0561 -0.0181 414 PHO a C4D +55784 C CMD A PHO IF . ? 0.7106 0.5779 0.5502 -0.0193 -0.0559 -0.0139 414 PHO a CMD +55785 C CMD B PHO IF . ? 0.7080 0.5758 0.5480 -0.0194 -0.0561 -0.0139 414 PHO a CMD +55786 C CAD A PHO IF . ? 0.8691 0.7280 0.7006 -0.0224 -0.0612 -0.0200 414 PHO a CAD +55787 C CAD B PHO IF . ? 0.8696 0.7289 0.7014 -0.0224 -0.0613 -0.0200 414 PHO a CAD +55788 O OBD A PHO IF . ? 0.8058 0.6676 0.6377 -0.0214 -0.0634 -0.0202 414 PHO a OBD +55789 O OBD B PHO IF . ? 0.8056 0.6678 0.6380 -0.0214 -0.0636 -0.0202 414 PHO a OBD +55790 C CBD A PHO IF . ? 0.8644 0.7185 0.6926 -0.0241 -0.0617 -0.0220 414 PHO a CBD +55791 C CBD B PHO IF . ? 0.8639 0.7183 0.6924 -0.0241 -0.0618 -0.0220 414 PHO a CBD +55792 C CGD A PHO IF . ? 0.8713 0.7203 0.6916 -0.0219 -0.0626 -0.0227 414 PHO a CGD +55793 C CGD B PHO IF . ? 0.8700 0.7193 0.6905 -0.0219 -0.0625 -0.0226 414 PHO a CGD +55794 O O1D A PHO IF . ? 1.0249 0.8733 0.8432 -0.0223 -0.0656 -0.0247 414 PHO a O1D +55795 O O1D B PHO IF . ? 1.0271 0.8758 0.8454 -0.0220 -0.0656 -0.0245 414 PHO a O1D +55796 O O2D A PHO IF . ? 0.8776 0.7224 0.6926 -0.0193 -0.0598 -0.0211 414 PHO a O2D +55797 O O2D B PHO IF . ? 0.8775 0.7225 0.6929 -0.0194 -0.0597 -0.0210 414 PHO a O2D +55798 C CED A PHO IF . ? 0.9840 0.8235 0.7912 -0.0173 -0.0604 -0.0218 414 PHO a CED +55799 C CED B PHO IF . ? 0.9806 0.8205 0.7882 -0.0172 -0.0603 -0.0216 414 PHO a CED +55800 C C1 A PHO IF . ? 0.9209 0.7647 0.7533 -0.0432 -0.0686 -0.0354 414 PHO a C1 +55801 C C1 B PHO IF . ? 0.9209 0.7647 0.7533 -0.0431 -0.0686 -0.0354 414 PHO a C1 +55802 C C2 A PHO IF . ? 0.9092 0.7477 0.7399 -0.0450 -0.0660 -0.0353 414 PHO a C2 +55803 C C2 B PHO IF . ? 0.9076 0.7463 0.7386 -0.0449 -0.0658 -0.0351 414 PHO a C2 +55804 C C3 A PHO IF . ? 0.8698 0.7112 0.7065 -0.0478 -0.0646 -0.0350 414 PHO a C3 +55805 C C3 B PHO IF . ? 0.8701 0.7117 0.7071 -0.0480 -0.0648 -0.0351 414 PHO a C3 +55806 C C4 A PHO IF . ? 0.9009 0.7507 0.7456 -0.0489 -0.0657 -0.0349 414 PHO a C4 +55807 C C4 B PHO IF . ? 0.8979 0.7478 0.7429 -0.0495 -0.0663 -0.0355 414 PHO a C4 +55808 C C5 A PHO IF . ? 0.8861 0.7221 0.7212 -0.0497 -0.0620 -0.0347 414 PHO a C5 +55809 C C5 B PHO IF . ? 0.8865 0.7228 0.7218 -0.0498 -0.0621 -0.0348 414 PHO a C5 +55810 C C6 A PHO IF . ? 0.7878 0.6254 0.6255 -0.0485 -0.0587 -0.0319 414 PHO a C6 +55811 C C6 B PHO IF . ? 0.7852 0.6232 0.6233 -0.0486 -0.0588 -0.0319 414 PHO a C6 +55812 C C7 A PHO IF . ? 0.8447 0.6776 0.6817 -0.0511 -0.0564 -0.0319 414 PHO a C7 +55813 C C7 B PHO IF . ? 0.8465 0.6793 0.6832 -0.0508 -0.0565 -0.0319 414 PHO a C7 +55814 C C8 A PHO IF . ? 0.8363 0.6694 0.6743 -0.0494 -0.0531 -0.0290 414 PHO a C8 +55815 C C8 B PHO IF . ? 0.8370 0.6702 0.6750 -0.0492 -0.0532 -0.0290 414 PHO a C8 +55816 C C9 A PHO IF . ? 0.7463 0.5876 0.5915 -0.0491 -0.0530 -0.0277 414 PHO a C9 +55817 C C9 B PHO IF . ? 0.7435 0.5850 0.5887 -0.0492 -0.0532 -0.0278 414 PHO a C9 +55818 C C10 A PHO IF . ? 0.7847 0.6132 0.6221 -0.0520 -0.0511 -0.0291 414 PHO a C10 +55819 C C10 B PHO IF . ? 0.7847 0.6132 0.6220 -0.0518 -0.0511 -0.0290 414 PHO a C10 +55820 C C11 A PHO IF . ? 0.8104 0.6301 0.6403 -0.0520 -0.0510 -0.0303 414 PHO a C11 +55821 C C11 B PHO IF . ? 0.8107 0.6306 0.6404 -0.0518 -0.0511 -0.0303 414 PHO a C11 +55822 C C12 A PHO IF . ? 0.8300 0.6454 0.6537 -0.0477 -0.0496 -0.0287 414 PHO a C12 +55823 C C12 B PHO IF . ? 0.8310 0.6463 0.6546 -0.0475 -0.0496 -0.0287 414 PHO a C12 +55824 C C13 A PHO IF . ? 0.8572 0.6635 0.6734 -0.0478 -0.0494 -0.0300 414 PHO a C13 +55825 C C13 B PHO IF . ? 0.8595 0.6658 0.6756 -0.0478 -0.0494 -0.0300 414 PHO a C13 +55826 C C14 A PHO IF . ? 0.8289 0.6337 0.6426 -0.0490 -0.0524 -0.0327 414 PHO a C14 +55827 C C14 B PHO IF . ? 0.8281 0.6331 0.6419 -0.0490 -0.0525 -0.0328 414 PHO a C14 +55828 C C15 A PHO IF . ? 0.7912 0.5936 0.6018 -0.0434 -0.0476 -0.0282 414 PHO a C15 +55829 C C15 B PHO IF . ? 0.7907 0.5928 0.6011 -0.0434 -0.0476 -0.0283 414 PHO a C15 +55830 C C16 A PHO IF . ? 0.7133 0.5148 0.5249 -0.0426 -0.0446 -0.0260 414 PHO a C16 +55831 C C16 B PHO IF . ? 0.7126 0.5138 0.5240 -0.0426 -0.0446 -0.0261 414 PHO a C16 +55832 C C17 A PHO IF . ? 0.8406 0.6384 0.6469 -0.0381 -0.0429 -0.0245 414 PHO a C17 +55833 C C17 B PHO IF . ? 0.8423 0.6399 0.6483 -0.0381 -0.0430 -0.0246 414 PHO a C17 +55834 C C18 A PHO IF . ? 0.8076 0.6036 0.6140 -0.0372 -0.0401 -0.0225 414 PHO a C18 +55835 C C18 B PHO IF . ? 0.8094 0.6052 0.6156 -0.0372 -0.0402 -0.0226 414 PHO a C18 +55836 C C19 A PHO IF . ? 0.7580 0.5502 0.5591 -0.0329 -0.0385 -0.0213 414 PHO a C19 +55837 C C19 B PHO IF . ? 0.7591 0.5513 0.5600 -0.0327 -0.0386 -0.0214 414 PHO a C19 +55838 C C20 A PHO IF . ? 0.7710 0.5744 0.5847 -0.0377 -0.0393 -0.0208 414 PHO a C20 +55839 C C20 B PHO IF . ? 0.7706 0.5738 0.5841 -0.0378 -0.0394 -0.0209 414 PHO a C20 +55840 C C1 . LMG JF . ? 1.2902 1.2694 1.2125 0.0561 0.0234 0.0051 415 LMG a C1 +55841 O O1 . LMG JF . ? 1.2326 1.2102 1.1520 0.0548 0.0263 0.0055 415 LMG a O1 +55842 C C2 . LMG JF . ? 1.2544 1.2423 1.1853 0.0538 0.0233 0.0053 415 LMG a C2 +55843 O O2 . LMG JF . ? 1.1663 1.1526 1.0971 0.0492 0.0229 0.0065 415 LMG a O2 +55844 C C3 . LMG JF . ? 1.1762 1.1664 1.1103 0.0556 0.0203 0.0048 415 LMG a C3 +55845 O O3 . LMG JF . ? 1.0612 1.0601 1.0036 0.0537 0.0204 0.0048 415 LMG a O3 +55846 C C4 . LMG JF . ? 1.4892 1.4792 1.4219 0.0609 0.0200 0.0036 415 LMG a C4 +55847 O O4 . LMG JF . ? 1.4394 1.4382 1.3785 0.0630 0.0222 0.0026 415 LMG a O4 +55848 C C5 . LMG JF . ? 1.5072 1.4884 1.4313 0.0629 0.0206 0.0036 415 LMG a C5 +55849 O O5 . LMG JF . ? 1.2870 1.2583 1.2009 0.0697 0.0202 0.0023 415 LMG a O5 +55850 C C6 . LMG JF . ? 1.3130 1.2942 1.2357 0.0683 0.0209 0.0023 415 LMG a C6 +55851 O O6 . LMG JF . ? 1.2391 1.2190 1.1608 0.0610 0.0235 0.0040 415 LMG a O6 +55852 C C7 . LMG JF . ? 1.2628 1.2309 1.1737 0.0553 0.0254 0.0057 415 LMG a C7 +55853 C C8 . LMG JF . ? 1.2636 1.2292 1.1704 0.0547 0.0284 0.0058 415 LMG a C8 +55854 C C9 . LMG JF . ? 1.4220 1.3942 1.3325 0.0573 0.0317 0.0049 415 LMG a C9 +55855 O O7 . LMG JF . ? 1.3329 1.2989 1.2406 0.0502 0.0288 0.0070 415 LMG a O7 +55856 C C10 . LMG JF . ? 1.2761 1.2336 1.1770 0.0484 0.0271 0.0076 415 LMG a C10 +55857 O O9 . LMG JF . ? 1.3701 1.3216 1.2660 0.0504 0.0253 0.0072 415 LMG a O9 +55858 C C11 . LMG JF . ? 1.3723 1.3282 1.2721 0.0442 0.0275 0.0088 415 LMG a C11 +55859 C C12 . LMG JF . ? 1.3623 1.3092 1.2537 0.0439 0.0267 0.0089 415 LMG a C12 +55860 C C13 . LMG JF . ? 1.2486 1.1910 1.1384 0.0419 0.0232 0.0094 415 LMG a C13 +55861 C C14 . LMG JF . ? 1.2995 1.2339 1.1819 0.0405 0.0223 0.0097 415 LMG a C14 +55862 C C15 . LMG JF . ? 1.2257 1.1572 1.1080 0.0379 0.0191 0.0103 415 LMG a C15 +55863 C C16 . LMG JF . ? 1.0875 1.0104 0.9623 0.0378 0.0174 0.0100 415 LMG a C16 +55864 C C17 . LMG JF . ? 0.9829 0.9030 0.8539 0.0358 0.0183 0.0105 415 LMG a C17 +55865 C C18 . LMG JF . ? 1.0356 0.9481 0.9008 0.0347 0.0159 0.0103 415 LMG a C18 +55866 C C19 . LMG JF . ? 1.1639 1.0730 1.0243 0.0335 0.0168 0.0106 415 LMG a C19 +55867 C C20 . LMG JF . ? 1.1145 1.0220 0.9707 0.0364 0.0192 0.0098 415 LMG a C20 +55868 C C21 . LMG JF . ? 1.4385 1.3448 1.2916 0.0351 0.0209 0.0103 415 LMG a C21 +55869 C C22 . LMG JF . ? 1.3697 1.2738 1.2180 0.0380 0.0233 0.0095 415 LMG a C22 +55870 C C23 . LMG JF . ? 1.4818 1.3781 1.3231 0.0394 0.0214 0.0085 415 LMG a C23 +55871 C C24 . LMG JF . ? 1.5898 1.4808 1.4251 0.0378 0.0208 0.0086 415 LMG a C24 +55872 C C25 . LMG JF . ? 1.4953 1.3790 1.3249 0.0379 0.0181 0.0076 415 LMG a C25 +55873 O O8 . LMG JF . ? 1.2558 1.2230 1.1598 0.0590 0.0338 0.0046 415 LMG a O8 +55874 C C28 . LMG JF . ? 1.4512 1.4235 1.3573 0.0607 0.0376 0.0040 415 LMG a C28 +55875 O O10 . LMG JF . ? 1.5474 1.5282 1.4611 0.0611 0.0388 0.0036 415 LMG a O10 +55876 C C29 . LMG JF . ? 1.2756 1.2424 1.1746 0.0617 0.0400 0.0038 415 LMG a C29 +55877 C C30 . LMG JF . ? 1.1214 1.0778 1.0120 0.0615 0.0373 0.0041 415 LMG a C30 +55878 C C31 . LMG JF . ? 1.0196 0.9699 0.9024 0.0638 0.0391 0.0035 415 LMG a C31 +55879 C C32 . LMG JF . ? 1.1062 1.0483 0.9820 0.0610 0.0379 0.0043 415 LMG a C32 +55880 C C33 . LMG JF . ? 0.9759 0.9091 0.8443 0.0629 0.0353 0.0036 415 LMG a C33 +55881 C C34 . LMG JF . ? 1.0462 0.9716 0.9067 0.0613 0.0354 0.0039 415 LMG a C34 +55882 C C35 . LMG JF . ? 1.1118 1.0284 0.9658 0.0617 0.0322 0.0035 415 LMG a C35 +55883 C C36 . LMG JF . ? 1.1741 1.0848 1.0229 0.0584 0.0311 0.0042 415 LMG a C36 +55884 C C37 . LMG JF . ? 1.1816 1.0848 1.0217 0.0602 0.0319 0.0034 415 LMG a C37 +55885 C C38 . LMG JF . ? 1.1112 1.0061 0.9452 0.0583 0.0288 0.0033 415 LMG a C38 +55886 C C39 . LMG JF . ? 1.4063 1.3011 1.2402 0.0542 0.0284 0.0045 415 LMG a C39 +55887 C C40 . LMG JF . ? 1.1410 1.0276 0.9684 0.0525 0.0256 0.0043 415 LMG a C40 +55888 C C41 . LMG JF . ? 1.2558 1.1418 1.0817 0.0493 0.0258 0.0051 415 LMG a C41 +55889 C C42 . LMG JF . ? 1.4168 1.2947 1.2358 0.0480 0.0233 0.0047 415 LMG a C42 +55890 C C43 . LMG JF . ? 1.3988 1.2760 1.2162 0.0450 0.0231 0.0055 415 LMG a C43 +55891 C C1B . LMT KF . ? 2.1760 2.0906 1.9942 0.0160 0.0957 0.0281 416 LMT a C1B +55892 C C2B . LMT KF . ? 2.1745 2.0787 1.9817 0.0165 0.0926 0.0289 416 LMT a C2B +55893 C C3B . LMT KF . ? 1.9462 1.8485 1.7549 0.0141 0.0882 0.0298 416 LMT a C3B +55894 C C4B . LMT KF . ? 1.9468 1.8540 1.7624 0.0103 0.0904 0.0310 416 LMT a C4B +55895 C C5B . LMT KF . ? 1.9324 1.8496 1.7586 0.0103 0.0926 0.0298 416 LMT a C5B +55896 C C6B . LMT KF . ? 1.9102 1.8325 1.7437 0.0064 0.0946 0.0308 416 LMT a C6B +55897 O O1B . LMT KF . ? 1.9555 1.8741 1.7789 0.0181 0.0926 0.0264 416 LMT a O1B +55898 O O2B . LMT KF . ? 1.7726 1.6739 1.5756 0.0200 0.0902 0.0275 416 LMT a O2B +55899 O O3B . LMT KF . ? 1.6201 1.5137 1.4192 0.0144 0.0860 0.0306 416 LMT a O3B +55900 O "O4'" . LMT KF . ? 1.6971 1.6032 1.5148 0.0084 0.0862 0.0316 416 LMT a "O4'" +55901 O O5B . LMT KF . ? 2.0149 1.9340 1.8398 0.0123 0.0969 0.0291 416 LMT a O5B +55902 O O6B . LMT KF . ? 1.8554 1.7838 1.6935 0.0060 0.0997 0.0304 416 LMT a O6B +55903 C "C1'" . LMT KF . ? 1.7925 1.7266 1.6290 0.0267 0.0946 0.0213 416 LMT a "C1'" +55904 C "C2'" . LMT KF . ? 1.8723 1.7980 1.6974 0.0272 0.0968 0.0221 416 LMT a "C2'" +55905 C "C3'" . LMT KF . ? 1.8443 1.7636 1.6644 0.0244 0.0944 0.0238 416 LMT a "C3'" +55906 C "C4'" . LMT KF . ? 1.8648 1.7893 1.6924 0.0203 0.0956 0.0250 416 LMT a "C4'" +55907 C "C5'" . LMT KF . ? 1.7951 1.7276 1.6334 0.0204 0.0931 0.0239 416 LMT a "C5'" +55908 C "C6'" . LMT KF . ? 1.8873 1.8250 1.7337 0.0166 0.0929 0.0247 416 LMT a "C6'" +55909 O "O1'" . LMT KF . ? 1.8688 1.8092 1.7102 0.0291 0.0971 0.0198 416 LMT a "O1'" +55910 O "O2'" . LMT KF . ? 1.9160 1.8366 1.7345 0.0307 0.0950 0.0210 416 LMT a "O2'" +55911 O "O3'" . LMT KF . ? 1.5619 1.4738 1.3719 0.0248 0.0964 0.0246 416 LMT a "O3'" +55912 O "O5'" . LMT KF . ? 1.9432 1.8818 1.7860 0.0228 0.0959 0.0224 416 LMT a "O5'" +55913 O "O6'" . LMT KF . ? 1.5632 1.5003 1.4078 0.0142 0.0972 0.0260 416 LMT a "O6'" +55914 C C1 . LMT KF . ? 1.7133 1.6580 1.5610 0.0308 0.0937 0.0185 416 LMT a C1 +55915 C C2 . LMT KF . ? 1.4572 1.4071 1.3078 0.0341 0.0969 0.0170 416 LMT a C2 +55916 C C3 . LMT KF . ? 1.6042 1.5503 1.4502 0.0383 0.0946 0.0155 416 LMT a C3 +55917 C C4 . LMT KF . ? 1.4460 1.3996 1.3008 0.0402 0.0931 0.0141 416 LMT a C4 +55918 C C5 . LMT KF . ? 1.6030 1.5516 1.4545 0.0424 0.0880 0.0133 416 LMT a C5 +55919 C C6 . LMT KF . ? 1.5797 1.5319 1.4342 0.0464 0.0879 0.0114 416 LMT a C6 +55920 C C7 . LMT KF . ? 1.8088 1.7703 1.6746 0.0458 0.0870 0.0110 416 LMT a C7 +55921 C C8 . LMT KF . ? 1.8501 1.8138 1.7179 0.0501 0.0858 0.0092 416 LMT a C8 +55922 C C9 . LMT KF . ? 1.8614 1.8355 1.7404 0.0504 0.0863 0.0084 416 LMT a C9 +55923 C C10 . LMT KF . ? 1.6654 1.6395 1.5453 0.0543 0.0832 0.0070 416 LMT a C10 +55924 C C11 . LMT KF . ? 1.6392 1.6235 1.5299 0.0550 0.0833 0.0061 416 LMT a C11 +55925 C C12 . LMT KF . ? 1.5848 1.5693 1.4791 0.0542 0.0782 0.0062 416 LMT a C12 +55926 C C1 . GOL LF . ? 1.2597 1.1844 1.1757 -0.0087 -0.0187 0.0188 417 GOL a C1 +55927 O O1 . GOL LF . ? 1.4508 1.3745 1.3662 -0.0087 -0.0193 0.0189 417 GOL a O1 +55928 C C2 . GOL LF . ? 1.2978 1.2231 1.2132 -0.0062 -0.0186 0.0186 417 GOL a C2 +55929 O O2 . GOL LF . ? 1.0425 0.9665 0.9565 -0.0059 -0.0178 0.0185 417 GOL a O2 +55930 C C3 . GOL LF . ? 1.4746 1.3965 1.3868 -0.0047 -0.0192 0.0186 417 GOL a C3 +55931 O O3 . GOL LF . ? 1.3010 1.2239 1.2129 -0.0021 -0.0193 0.0184 417 GOL a O3 +55932 C C1 . GOL MF . ? 1.0593 0.9664 0.9609 -0.0097 -0.0175 0.0175 418 GOL a C1 +55933 O O1 . GOL MF . ? 0.8108 0.7143 0.7104 -0.0114 -0.0176 0.0172 418 GOL a O1 +55934 C C2 . GOL MF . ? 1.1368 1.0486 1.0428 -0.0109 -0.0176 0.0178 418 GOL a C2 +55935 O O2 . GOL MF . ? 0.9437 0.8570 0.8510 -0.0120 -0.0175 0.0177 418 GOL a O2 +55936 C C3 . GOL MF . ? 1.1854 1.1006 1.0934 -0.0091 -0.0176 0.0181 418 GOL a C3 +55937 O O3 . GOL MF . ? 1.0687 0.9874 0.9800 -0.0101 -0.0178 0.0184 418 GOL a O3 +55938 O O1 A LHG NF . ? 2.0105 1.8011 1.7342 -0.0114 -0.1085 -0.0561 419 LHG a O1 +55939 O O1 B LHG NF . ? 2.0103 1.8012 1.7342 -0.0114 -0.1084 -0.0560 419 LHG a O1 +55940 C C1 A LHG NF . ? 2.0629 1.8456 1.7760 -0.0085 -0.1069 -0.0558 419 LHG a C1 +55941 C C1 B LHG NF . ? 2.0634 1.8460 1.7766 -0.0086 -0.1069 -0.0558 419 LHG a C1 +55942 C C2 A LHG NF . ? 2.0789 1.8593 1.7918 -0.0076 -0.1012 -0.0530 419 LHG a C2 +55943 C C2 B LHG NF . ? 2.0793 1.8597 1.7923 -0.0076 -0.1012 -0.0529 419 LHG a C2 +55944 O O2 A LHG NF . ? 2.0271 1.8080 1.7457 -0.0113 -0.0999 -0.0538 419 LHG a O2 +55945 O O2 B LHG NF . ? 2.0270 1.8082 1.7459 -0.0112 -0.0998 -0.0536 419 LHG a O2 +55946 C C3 A LHG NF . ? 2.1257 1.8975 1.8275 -0.0047 -0.0994 -0.0528 419 LHG a C3 +55947 C C3 B LHG NF . ? 2.1262 1.8981 1.8282 -0.0047 -0.0993 -0.0528 419 LHG a C3 +55948 O O3 A LHG NF . ? 2.2347 2.0054 1.9364 -0.0031 -0.0941 -0.0498 419 LHG a O3 +55949 O O3 B LHG NF . ? 2.2372 2.0080 1.9391 -0.0031 -0.0941 -0.0498 419 LHG a O3 +55950 P P A LHG NF . ? 2.2788 2.0421 1.9747 -0.0026 -0.0907 -0.0500 419 LHG a P +55951 P P B LHG NF . ? 2.2823 2.0457 1.9783 -0.0026 -0.0906 -0.0499 419 LHG a P +55952 O O4 A LHG NF . ? 2.1812 1.9386 1.8667 0.0015 -0.0893 -0.0493 419 LHG a O4 +55953 O O4 B LHG NF . ? 2.1815 1.9390 1.8671 0.0015 -0.0893 -0.0492 419 LHG a O4 +55954 O O5 A LHG NF . ? 2.0688 1.8295 1.7655 -0.0061 -0.0929 -0.0531 419 LHG a O5 +55955 O O5 B LHG NF . ? 2.0686 1.8293 1.7653 -0.0061 -0.0928 -0.0531 419 LHG a O5 +55956 O O6 A LHG NF . ? 2.2130 1.9805 1.9162 -0.0028 -0.0860 -0.0468 419 LHG a O6 +55957 O O6 B LHG NF . ? 2.2151 1.9826 1.9183 -0.0028 -0.0860 -0.0468 419 LHG a O6 +55958 C C4 A LHG NF . ? 2.0965 1.8650 1.8058 -0.0060 -0.0847 -0.0472 419 LHG a C4 +55959 C C4 B LHG NF . ? 2.0970 1.8652 1.8059 -0.0059 -0.0846 -0.0471 419 LHG a C4 +55960 C C5 A LHG NF . ? 2.0261 1.7996 1.7421 -0.0056 -0.0809 -0.0439 419 LHG a C5 +55961 C C5 B LHG NF . ? 2.0250 1.7984 1.7410 -0.0056 -0.0808 -0.0439 419 LHG a C5 +55962 C C6 A LHG NF . ? 2.0729 1.8434 1.7834 -0.0017 -0.0770 -0.0415 419 LHG a C6 +55963 C C6 B LHG NF . ? 2.0726 1.8432 1.7832 -0.0017 -0.0769 -0.0415 419 LHG a C6 +55964 O O7 A LHG NF . ? 2.0735 1.8468 1.7941 -0.0082 -0.0792 -0.0441 419 LHG a O7 +55965 O O7 B LHG NF . ? 2.0742 1.8475 1.7948 -0.0082 -0.0790 -0.0441 419 LHG a O7 +55966 C C7 A LHG NF . ? 2.0600 1.8383 1.7887 -0.0122 -0.0816 -0.0454 419 LHG a C7 +55967 C C7 B LHG NF . ? 2.0615 1.8397 1.7902 -0.0121 -0.0814 -0.0454 419 LHG a C7 +55968 O O9 A LHG NF . ? 2.0462 1.8294 1.7783 -0.0129 -0.0846 -0.0460 419 LHG a O9 +55969 O O9 B LHG NF . ? 2.0484 1.8313 1.7803 -0.0128 -0.0845 -0.0460 419 LHG a O9 +55970 C C8 A LHG NF . ? 1.9361 1.7133 1.6688 -0.0153 -0.0801 -0.0460 419 LHG a C8 +55971 C C8 B LHG NF . ? 1.9350 1.7123 1.6679 -0.0152 -0.0799 -0.0458 419 LHG a C8 +55972 C C9 A LHG NF . ? 1.9168 1.7011 1.6596 -0.0188 -0.0813 -0.0461 419 LHG a C9 +55973 C C9 B LHG NF . ? 1.9174 1.7018 1.6603 -0.0187 -0.0812 -0.0460 419 LHG a C9 +55974 C C10 A LHG NF . ? 1.9380 1.7222 1.6853 -0.0207 -0.0780 -0.0450 419 LHG a C10 +55975 C C10 B LHG NF . ? 1.9393 1.7237 1.6868 -0.0207 -0.0781 -0.0450 419 LHG a C10 +55976 O O8 A LHG NF . ? 2.1259 1.9022 1.8412 -0.0005 -0.0753 -0.0387 419 LHG a O8 +55977 O O8 B LHG NF . ? 2.1282 1.9048 1.8438 -0.0005 -0.0753 -0.0387 419 LHG a O8 +55978 C C23 A LHG NF . ? 2.1053 1.8840 1.8251 -0.0001 -0.0709 -0.0361 419 LHG a C23 +55979 C C23 B LHG NF . ? 2.1073 1.8861 1.8272 -0.0001 -0.0709 -0.0360 419 LHG a C23 +55980 O O10 A LHG NF . ? 2.0941 1.8764 1.8159 0.0017 -0.0691 -0.0336 419 LHG a O10 +55981 O O10 B LHG NF . ? 2.0957 1.8781 1.8176 0.0017 -0.0690 -0.0336 419 LHG a O10 +55982 C C24 A LHG NF . ? 2.0274 1.8040 1.7494 -0.0018 -0.0689 -0.0364 419 LHG a C24 +55983 C C24 B LHG NF . ? 2.0275 1.8042 1.7496 -0.0018 -0.0688 -0.0364 419 LHG a C24 +55984 C C11 A LHG NF . ? 1.8829 1.6729 1.6393 -0.0248 -0.0795 -0.0458 419 LHG a C11 +55985 C C11 B LHG NF . ? 1.8841 1.6744 1.6407 -0.0248 -0.0796 -0.0459 419 LHG a C11 +55986 C C12 A LHG NF . ? 1.8570 1.6448 1.6124 -0.0280 -0.0832 -0.0494 419 LHG a C12 +55987 C C12 B LHG NF . ? 1.8578 1.6456 1.6131 -0.0280 -0.0833 -0.0495 419 LHG a C12 +55988 C C13 A LHG NF . ? 1.7679 1.5634 1.5314 -0.0308 -0.0862 -0.0505 419 LHG a C13 +55989 C C13 B LHG NF . ? 1.7683 1.5636 1.5316 -0.0309 -0.0864 -0.0507 419 LHG a C13 +55990 C C14 A LHG NF . ? 1.7309 1.5316 1.5033 -0.0333 -0.0841 -0.0491 419 LHG a C14 +55991 C C14 B LHG NF . ? 1.7316 1.5322 1.5039 -0.0333 -0.0842 -0.0492 419 LHG a C14 +55992 C C15 A LHG NF . ? 1.6062 1.4138 1.3865 -0.0365 -0.0872 -0.0509 419 LHG a C15 +55993 C C15 B LHG NF . ? 1.6058 1.4134 1.3860 -0.0365 -0.0873 -0.0509 419 LHG a C15 +55994 C C16 A LHG NF . ? 1.5778 1.3913 1.3670 -0.0386 -0.0850 -0.0492 419 LHG a C16 +55995 C C16 B LHG NF . ? 1.5775 1.3909 1.3665 -0.0385 -0.0850 -0.0492 419 LHG a C16 +55996 C C17 A LHG NF . ? 1.6116 1.4284 1.4022 -0.0352 -0.0825 -0.0458 419 LHG a C17 +55997 C C17 B LHG NF . ? 1.6120 1.4288 1.4024 -0.0350 -0.0825 -0.0458 419 LHG a C17 +55998 C C18 A LHG NF . ? 1.6579 1.4808 1.4511 -0.0335 -0.0851 -0.0456 419 LHG a C18 +55999 C C18 B LHG NF . ? 1.6616 1.4842 1.4542 -0.0333 -0.0853 -0.0456 419 LHG a C18 +56000 C C19 A LHG NF . ? 1.5280 1.3536 1.3222 -0.0303 -0.0824 -0.0422 419 LHG a C19 +56001 C C19 B LHG NF . ? 1.5295 1.3553 1.3237 -0.0303 -0.0826 -0.0423 419 LHG a C19 +56002 C C20 A LHG NF . ? 1.4585 1.2884 1.2603 -0.0320 -0.0796 -0.0404 419 LHG a C20 +56003 C C20 B LHG NF . ? 1.4593 1.2889 1.2608 -0.0321 -0.0797 -0.0405 419 LHG a C20 +56004 C C21 A LHG NF . ? 1.4248 1.2617 1.2350 -0.0351 -0.0819 -0.0417 419 LHG a C21 +56005 C C21 B LHG NF . ? 1.4257 1.2626 1.2360 -0.0351 -0.0819 -0.0417 419 LHG a C21 +56006 C C22 A LHG NF . ? 1.3089 1.1492 1.1260 -0.0370 -0.0790 -0.0401 419 LHG a C22 +56007 C C22 B LHG NF . ? 1.3083 1.1482 1.1251 -0.0370 -0.0788 -0.0401 419 LHG a C22 +56008 C C25 A LHG NF . ? 1.9058 1.6878 1.6371 -0.0056 -0.0703 -0.0368 419 LHG a C25 +56009 C C25 B LHG NF . ? 1.9048 1.6868 1.6361 -0.0056 -0.0702 -0.0368 419 LHG a C25 +56010 C C26 A LHG NF . ? 1.9397 1.7215 1.6748 -0.0067 -0.0670 -0.0357 419 LHG a C26 +56011 C C26 B LHG NF . ? 1.9399 1.7218 1.6751 -0.0066 -0.0669 -0.0357 419 LHG a C26 +56012 C C27 A LHG NF . ? 1.9196 1.7062 1.6592 -0.0050 -0.0637 -0.0325 419 LHG a C27 +56013 C C27 B LHG NF . ? 1.9196 1.7063 1.6593 -0.0050 -0.0636 -0.0325 419 LHG a C27 +56014 C C28 A LHG NF . ? 1.8790 1.6732 1.6274 -0.0071 -0.0651 -0.0318 419 LHG a C28 +56015 C C28 B LHG NF . ? 1.8798 1.6741 1.6282 -0.0070 -0.0650 -0.0317 419 LHG a C28 +56016 C C29 A LHG NF . ? 1.8848 1.6824 1.6404 -0.0087 -0.0625 -0.0302 419 LHG a C29 +56017 C C29 B LHG NF . ? 1.8860 1.6837 1.6416 -0.0086 -0.0624 -0.0302 419 LHG a C29 +56018 C C30 A LHG NF . ? 1.7584 1.5521 1.5139 -0.0110 -0.0622 -0.0318 419 LHG a C30 +56019 C C30 B LHG NF . ? 1.7578 1.5513 1.5131 -0.0109 -0.0622 -0.0318 419 LHG a C30 +56020 C C31 A LHG NF . ? 1.7516 1.5453 1.5085 -0.0143 -0.0661 -0.0346 419 LHG a C31 +56021 C C31 B LHG NF . ? 1.7512 1.5448 1.5079 -0.0142 -0.0660 -0.0346 419 LHG a C31 +56022 MG MG . CLA OF . ? 0.9710 0.9822 1.0251 -0.1492 -0.0318 -0.0685 601 CLA b MG +56023 C CHA . CLA OF . ? 0.9888 1.0097 1.0590 -0.1641 -0.0243 -0.0737 601 CLA b CHA +56024 C CHB . CLA OF . ? 0.9318 0.9711 1.0074 -0.1434 -0.0357 -0.0713 601 CLA b CHB +56025 C CHC . CLA OF . ? 0.7379 0.7408 0.7775 -0.1361 -0.0403 -0.0649 601 CLA b CHC +56026 C CHD . CLA OF . ? 0.9751 0.9563 1.0068 -0.1560 -0.0284 -0.0667 601 CLA b CHD +56027 N NA . CLA OF . ? 0.9950 1.0226 1.0653 -0.1530 -0.0305 -0.0720 601 CLA b NA +56028 C C1A . CLA OF . ? 0.8367 0.8669 0.9121 -0.1586 -0.0273 -0.0736 601 CLA b C1A +56029 C C2A . CLA OF . ? 1.0978 1.1409 1.1849 -0.1595 -0.0264 -0.0755 601 CLA b C2A +56030 C C3A . CLA OF . ? 1.0530 1.1015 1.1414 -0.1527 -0.0301 -0.0746 601 CLA b C3A +56031 C C4A . CLA OF . ? 1.0373 1.0750 1.1146 -0.1495 -0.0323 -0.0725 601 CLA b C4A +56032 C CMA . CLA OF . ? 1.0163 1.0665 1.1056 -0.1501 -0.0265 -0.0720 601 CLA b CMA +56033 C CAA . CLA OF . ? 1.2976 1.3488 1.3934 -0.1639 -0.0288 -0.0800 601 CLA b CAA +56034 C CBA . CLA OF . ? 1.2391 1.2907 1.3334 -0.1618 -0.0349 -0.0818 601 CLA b CBA +56035 C CGA . CLA OF . ? 1.5802 1.6372 1.6814 -0.1675 -0.0364 -0.0861 601 CLA b CGA +56036 O O1A . CLA OF . ? 1.3810 1.4401 1.4829 -0.1666 -0.0414 -0.0883 601 CLA b O1A +56037 O O2A . CLA OF . ? 1.9993 2.0589 2.1063 -0.1741 -0.0318 -0.0876 601 CLA b O2A +56038 N NB . CLA OF . ? 0.8045 0.8242 0.8615 -0.1411 -0.0373 -0.0681 601 CLA b NB +56039 C C1B . CLA OF . ? 0.9445 0.9752 1.0103 -0.1394 -0.0383 -0.0692 601 CLA b C1B +56040 C C2B . CLA OF . ? 0.9144 0.9480 0.9794 -0.1330 -0.0421 -0.0683 601 CLA b C2B +56041 C C3B . CLA OF . ? 0.7771 0.7999 0.8313 -0.1309 -0.0434 -0.0663 601 CLA b C3B +56042 C C4B . CLA OF . ? 0.7594 0.7743 0.8095 -0.1362 -0.0403 -0.0664 601 CLA b C4B +56043 C CMB . CLA OF . ? 0.9390 0.9837 1.0120 -0.1295 -0.0440 -0.0690 601 CLA b CMB +56044 C CAB . CLA OF . ? 0.8760 0.8962 0.9246 -0.1248 -0.0469 -0.0646 601 CLA b CAB +56045 C CBB . CLA OF . ? 0.8891 0.8997 0.9284 -0.1224 -0.0457 -0.0615 601 CLA b CBB +56046 N NC . CLA OF . ? 0.9244 0.9203 0.9638 -0.1467 -0.0341 -0.0665 601 CLA b NC +56047 C C1C . CLA OF . ? 0.8111 0.8055 0.8460 -0.1410 -0.0373 -0.0650 601 CLA b C1C +56048 C C2C . CLA OF . ? 0.8798 0.8623 0.9038 -0.1398 -0.0377 -0.0633 601 CLA b C2C +56049 C C3C . CLA OF . ? 0.9038 0.8798 0.9254 -0.1455 -0.0343 -0.0638 601 CLA b C3C +56050 C C4C . CLA OF . ? 0.7913 0.7764 0.8229 -0.1495 -0.0322 -0.0658 601 CLA b C4C +56051 C CMC . CLA OF . ? 0.8640 0.8420 0.8809 -0.1341 -0.0407 -0.0614 601 CLA b CMC +56052 C CAC . CLA OF . ? 0.9475 0.9108 0.9590 -0.1470 -0.0331 -0.0627 601 CLA b CAC +56053 C CBC . CLA OF . ? 0.8188 0.7754 0.8253 -0.1467 -0.0283 -0.0594 601 CLA b CBC +56054 N ND . CLA OF . ? 0.8553 0.8577 0.9062 -0.1577 -0.0278 -0.0697 601 CLA b ND +56055 C C1D . CLA OF . ? 1.0226 1.0129 1.0645 -0.1603 -0.0264 -0.0689 601 CLA b C1D +56056 C C2D . CLA OF . ? 0.9875 0.9757 1.0312 -0.1673 -0.0227 -0.0705 601 CLA b C2D +56057 C C3D . CLA OF . ? 1.2388 1.2398 1.2943 -0.1690 -0.0218 -0.0724 601 CLA b C3D +56058 C C4D . CLA OF . ? 1.1145 1.1227 1.1732 -0.1632 -0.0250 -0.0719 601 CLA b C4D +56059 C CMD . CLA OF . ? 0.8749 0.8520 0.9116 -0.1720 -0.0201 -0.0704 601 CLA b CMD +56060 C CAD . CLA OF . ? 1.1084 1.1177 1.1737 -0.1743 -0.0190 -0.0748 601 CLA b CAD +56061 O OBD . CLA OF . ? 1.1739 1.1797 1.2394 -0.1805 -0.0156 -0.0758 601 CLA b OBD +56062 C CBD . CLA OF . ? 1.1866 1.2088 1.2615 -0.1712 -0.0205 -0.0757 601 CLA b CBD +56063 C CGD . CLA OF . ? 1.1607 1.1863 1.2394 -0.1721 -0.0155 -0.0743 601 CLA b CGD +56064 O O1D . CLA OF . ? 1.4088 1.4453 1.4977 -0.1737 -0.0150 -0.0764 601 CLA b O1D +56065 O O2D . CLA OF . ? 1.0476 1.0642 1.1184 -0.1709 -0.0113 -0.0705 601 CLA b O2D +56066 C CED . CLA OF . ? 1.0962 1.1179 1.1713 -0.1701 -0.0077 -0.0693 601 CLA b CED +56067 C C1 . CLA OF . ? 2.0538 2.1124 2.1629 -0.1807 -0.0317 -0.0906 601 CLA b C1 +56068 C C2 . CLA OF . ? 1.8249 1.8692 1.9220 -0.1817 -0.0316 -0.0890 601 CLA b C2 +56069 C C3 . CLA OF . ? 1.7143 1.7492 1.8060 -0.1865 -0.0272 -0.0881 601 CLA b C3 +56070 C C4 . CLA OF . ? 1.4958 1.5335 1.5931 -0.1920 -0.0215 -0.0885 601 CLA b C4 +56071 C C5 . CLA OF . ? 1.4537 1.4747 1.5333 -0.1862 -0.0280 -0.0866 601 CLA b C5 +56072 C C6 . CLA OF . ? 1.3182 1.3330 1.3891 -0.1790 -0.0293 -0.0828 601 CLA b C6 +56073 C C7 . CLA OF . ? 1.2501 1.2684 1.3208 -0.1740 -0.0356 -0.0838 601 CLA b C7 +56074 C C8 . CLA OF . ? 1.1782 1.1902 1.2402 -0.1672 -0.0365 -0.0800 601 CLA b C8 +56075 C C9 . CLA OF . ? 1.4887 1.4911 1.5412 -0.1657 -0.0395 -0.0798 601 CLA b C9 +56076 C C10 . CLA OF . ? 1.4399 1.4618 1.5074 -0.1615 -0.0394 -0.0798 601 CLA b C10 +56077 C C11 . CLA OF . ? 1.2279 1.2477 1.2902 -0.1561 -0.0446 -0.0794 601 CLA b C11 +56078 C C12 . CLA OF . ? 0.9761 0.9979 1.0371 -0.1494 -0.0452 -0.0765 601 CLA b C12 +56079 C C13 . CLA OF . ? 1.2590 1.2909 1.3262 -0.1455 -0.0502 -0.0783 601 CLA b C13 +56080 C C14 . CLA OF . ? 1.3338 1.3774 1.4117 -0.1457 -0.0488 -0.0793 601 CLA b C14 +56081 C C15 . CLA OF . ? 1.0084 1.0365 1.0687 -0.1386 -0.0527 -0.0756 601 CLA b C15 +56082 C C16 . CLA OF . ? 1.0216 1.0579 1.0862 -0.1347 -0.0582 -0.0775 601 CLA b C16 +56083 C C17 . CLA OF . ? 1.1887 1.2264 1.2515 -0.1281 -0.0589 -0.0747 601 CLA b C17 +56084 C C18 . CLA OF . ? 1.3542 1.3961 1.4174 -0.1235 -0.0646 -0.0758 601 CLA b C18 +56085 C C19 . CLA OF . ? 1.4474 1.5011 1.5211 -0.1251 -0.0678 -0.0798 601 CLA b C19 +56086 C C20 . CLA OF . ? 1.1124 1.1550 1.1735 -0.1173 -0.0648 -0.0728 601 CLA b C20 +56087 MG MG . CLA PF . ? 0.7374 0.7319 0.7577 -0.1075 -0.0373 -0.0475 602 CLA b MG +56088 C CHA . CLA PF . ? 0.6763 0.6486 0.6746 -0.1014 -0.0359 -0.0409 602 CLA b CHA +56089 C CHB . CLA PF . ? 0.7401 0.7242 0.7572 -0.1168 -0.0267 -0.0459 602 CLA b CHB +56090 C CHC . CLA PF . ? 0.7397 0.7550 0.7813 -0.1150 -0.0396 -0.0553 602 CLA b CHC +56091 C CHD . CLA PF . ? 0.7392 0.7397 0.7583 -0.0981 -0.0490 -0.0493 602 CLA b CHD +56092 N NA . CLA PF . ? 0.8067 0.7875 0.8165 -0.1090 -0.0325 -0.0442 602 CLA b NA +56093 C C1A . CLA PF . ? 0.6948 0.6683 0.6969 -0.1060 -0.0323 -0.0416 602 CLA b C1A +56094 C C2A . CLA PF . ? 0.6660 0.6315 0.6625 -0.1073 -0.0283 -0.0394 602 CLA b C2A +56095 C C3A . CLA PF . ? 0.7921 0.7615 0.7945 -0.1120 -0.0254 -0.0409 602 CLA b C3A +56096 C C4A . CLA PF . ? 0.7013 0.6800 0.7116 -0.1126 -0.0284 -0.0438 602 CLA b C4A +56097 C CMA . CLA PF . ? 0.7316 0.7047 0.7368 -0.1101 -0.0229 -0.0391 602 CLA b CMA +56098 C CAA . CLA PF . ? 0.6852 0.6420 0.6748 -0.1094 -0.0285 -0.0397 602 CLA b CAA +56099 C CBA . CLA PF . ? 0.7336 0.6811 0.7161 -0.1100 -0.0249 -0.0373 602 CLA b CBA +56100 C CGA . CLA PF . ? 0.8546 0.7972 0.8304 -0.1051 -0.0260 -0.0348 602 CLA b CGA +56101 O O1A . CLA PF . ? 0.7846 0.7242 0.7573 -0.1031 -0.0238 -0.0323 602 CLA b O1A +56102 O O2A . CLA PF . ? 0.8163 0.7581 0.7896 -0.1025 -0.0298 -0.0354 602 CLA b O2A +56103 N NB . CLA PF . ? 0.7896 0.7885 0.8178 -0.1150 -0.0335 -0.0501 602 CLA b NB +56104 C C1B . CLA PF . ? 0.8180 0.8119 0.8440 -0.1182 -0.0292 -0.0491 602 CLA b C1B +56105 C C2B . CLA PF . ? 0.7897 0.7884 0.8225 -0.1236 -0.0271 -0.0515 602 CLA b C2B +56106 C C3B . CLA PF . ? 0.8006 0.8091 0.8412 -0.1232 -0.0309 -0.0544 602 CLA b C3B +56107 C C4B . CLA PF . ? 0.7674 0.7750 0.8042 -0.1175 -0.0348 -0.0533 602 CLA b C4B +56108 C CMB . CLA PF . ? 0.7208 0.7156 0.7529 -0.1283 -0.0222 -0.0511 602 CLA b CMB +56109 C CAB . CLA PF . ? 0.9030 0.9198 0.9529 -0.1276 -0.0305 -0.0577 602 CLA b CAB +56110 C CBB . CLA PF . ? 1.0090 1.0323 1.0641 -0.1280 -0.0344 -0.0606 602 CLA b CBB +56111 N NC . CLA PF . ? 0.7219 0.7273 0.7503 -0.1066 -0.0433 -0.0515 602 CLA b NC +56112 C C1C . CLA PF . ? 0.7957 0.8094 0.8328 -0.1098 -0.0435 -0.0544 602 CLA b C1C +56113 C C2C . CLA PF . ? 0.7053 0.7268 0.7475 -0.1077 -0.0483 -0.0567 602 CLA b C2C +56114 C C3C . CLA PF . ? 0.7087 0.7254 0.7439 -0.1027 -0.0510 -0.0548 602 CLA b C3C +56115 C C4C . CLA PF . ? 0.6701 0.6771 0.6973 -0.1026 -0.0475 -0.0517 602 CLA b C4C +56116 C CMC . CLA PF . ? 0.7723 0.8043 0.8246 -0.1100 -0.0500 -0.0602 602 CLA b CMC +56117 C CAC . CLA PF . ? 0.8341 0.8546 0.8697 -0.0988 -0.0560 -0.0559 602 CLA b CAC +56118 C CBC . CLA PF . ? 0.7123 0.7380 0.7507 -0.0941 -0.0566 -0.0546 602 CLA b CBC +56119 N ND . CLA PF . ? 0.6809 0.6694 0.6924 -0.1015 -0.0415 -0.0458 602 CLA b ND +56120 C C1D . CLA PF . ? 0.6333 0.6244 0.6445 -0.0979 -0.0459 -0.0464 602 CLA b C1D +56121 C C2D . CLA PF . ? 0.7459 0.7297 0.7485 -0.0940 -0.0468 -0.0440 602 CLA b C2D +56122 C C3D . CLA PF . ? 0.6471 0.6236 0.6450 -0.0956 -0.0427 -0.0419 602 CLA b C3D +56123 C C4D . CLA PF . ? 0.6026 0.5821 0.6057 -0.0999 -0.0400 -0.0430 602 CLA b C4D +56124 C CMD . CLA PF . ? 0.8382 0.8210 0.8369 -0.0895 -0.0505 -0.0435 602 CLA b CMD +56125 C CAD . CLA PF . ? 0.7001 0.6673 0.6897 -0.0944 -0.0404 -0.0390 602 CLA b CAD +56126 O OBD . CLA PF . ? 0.8245 0.7870 0.8079 -0.0908 -0.0417 -0.0374 602 CLA b OBD +56127 C CBD . CLA PF . ? 0.7400 0.7044 0.7296 -0.0979 -0.0362 -0.0384 602 CLA b CBD +56128 C CGD . CLA PF . ? 0.8111 0.7748 0.7995 -0.0953 -0.0336 -0.0356 602 CLA b CGD +56129 O O1D . CLA PF . ? 0.7853 0.7554 0.7786 -0.0934 -0.0339 -0.0353 602 CLA b O1D +56130 O O2D . CLA PF . ? 0.8003 0.7555 0.7816 -0.0950 -0.0309 -0.0331 602 CLA b O2D +56131 C CED . CLA PF . ? 0.8367 0.7915 0.8169 -0.0923 -0.0289 -0.0305 602 CLA b CED +56132 C C1 . CLA PF . ? 0.7922 0.7287 0.7587 -0.0983 -0.0306 -0.0331 602 CLA b C1 +56133 C C2 . CLA PF . ? 0.7133 0.6528 0.6804 -0.0958 -0.0347 -0.0343 602 CLA b C2 +56134 C C3 . CLA PF . ? 0.8287 0.7641 0.7921 -0.0968 -0.0367 -0.0357 602 CLA b C3 +56135 C C4 . CLA PF . ? 0.6563 0.5840 0.6151 -0.1003 -0.0348 -0.0361 602 CLA b C4 +56136 C C5 . CLA PF . ? 0.8386 0.7768 0.8021 -0.0941 -0.0409 -0.0369 602 CLA b C5 +56137 C C6 . CLA PF . ? 0.7657 0.6965 0.7208 -0.0909 -0.0417 -0.0353 602 CLA b C6 +56138 C C7 . CLA PF . ? 0.9103 0.8438 0.8653 -0.0884 -0.0458 -0.0365 602 CLA b C7 +56139 C C8 . CLA PF . ? 0.9107 0.8379 0.8579 -0.0845 -0.0465 -0.0346 602 CLA b C8 +56140 C C9 . CLA PF . ? 0.7924 0.7103 0.7328 -0.0860 -0.0445 -0.0340 602 CLA b C9 +56141 C C10 . CLA PF . ? 1.1815 1.1101 1.1276 -0.0826 -0.0505 -0.0361 602 CLA b C10 +56142 C C11 . CLA PF . ? 1.0541 0.9774 0.9931 -0.0784 -0.0509 -0.0340 602 CLA b C11 +56143 C C12 . CLA PF . ? 1.0616 0.9882 1.0020 -0.0748 -0.0502 -0.0316 602 CLA b C12 +56144 C C13 . CLA PF . ? 0.9008 0.8259 0.8367 -0.0706 -0.0524 -0.0307 602 CLA b C13 +56145 C C14 . CLA PF . ? 1.2134 1.1427 1.1514 -0.0671 -0.0523 -0.0288 602 CLA b C14 +56146 C C15 . CLA PF . ? 1.0615 0.9779 0.9894 -0.0696 -0.0511 -0.0294 602 CLA b C15 +56147 C C16 . CLA PF . ? 0.8215 0.7343 0.7474 -0.0693 -0.0475 -0.0269 602 CLA b C16 +56148 C C17 . CLA PF . ? 0.9716 0.8767 0.8896 -0.0672 -0.0469 -0.0256 602 CLA b C17 +56149 C C18 . CLA PF . ? 0.8940 0.7940 0.8091 -0.0676 -0.0435 -0.0237 602 CLA b C18 +56150 C C19 . CLA PF . ? 1.0575 0.9501 0.9673 -0.0697 -0.0429 -0.0246 602 CLA b C19 +56151 C C20 . CLA PF . ? 1.1102 1.0084 1.0217 -0.0635 -0.0427 -0.0211 602 CLA b C20 +56152 MG MG . CLA QF . ? 0.7048 0.7065 0.7229 -0.0834 -0.0323 -0.0337 603 CLA b MG +56153 C CHA . CLA QF . ? 0.5951 0.5820 0.6013 -0.0836 -0.0242 -0.0278 603 CLA b CHA +56154 C CHB . CLA QF . ? 0.5999 0.5853 0.6048 -0.0881 -0.0331 -0.0341 603 CLA b CHB +56155 C CHC . CLA QF . ? 0.7490 0.7626 0.7745 -0.0801 -0.0419 -0.0384 603 CLA b CHC +56156 C CHD . CLA QF . ? 0.6756 0.6908 0.7034 -0.0763 -0.0316 -0.0323 603 CLA b CHD +56157 N NA . CLA QF . ? 0.6002 0.5890 0.6079 -0.0854 -0.0293 -0.0313 603 CLA b NA +56158 C C1A . CLA QF . ? 0.6776 0.6620 0.6820 -0.0856 -0.0261 -0.0293 603 CLA b C1A +56159 C C2A . CLA QF . ? 0.7184 0.6940 0.7159 -0.0876 -0.0243 -0.0282 603 CLA b C2A +56160 C C3A . CLA QF . ? 0.6285 0.6036 0.6259 -0.0893 -0.0269 -0.0303 603 CLA b C3A +56161 C C4A . CLA QF . ? 0.6826 0.6663 0.6864 -0.0875 -0.0300 -0.0320 603 CLA b C4A +56162 C CMA . CLA QF . ? 0.6723 0.6470 0.6720 -0.0945 -0.0243 -0.0318 603 CLA b CMA +56163 C CAA . CLA QF . ? 0.5697 0.5391 0.5600 -0.0838 -0.0251 -0.0257 603 CLA b CAA +56164 C CBA . CLA QF . ? 0.6535 0.6249 0.6433 -0.0801 -0.0290 -0.0258 603 CLA b CBA +56165 C CGA . CLA QF . ? 0.6642 0.6321 0.6505 -0.0805 -0.0315 -0.0269 603 CLA b CGA +56166 O O1A . CLA QF . ? 0.8039 0.7658 0.7859 -0.0827 -0.0304 -0.0268 603 CLA b O1A +56167 O O2A . CLA QF . ? 0.7073 0.6789 0.6952 -0.0783 -0.0353 -0.0281 603 CLA b O2A +56168 N NB . CLA QF . ? 0.6553 0.6553 0.6712 -0.0844 -0.0367 -0.0360 603 CLA b NB +56169 C C1B . CLA QF . ? 0.6111 0.6043 0.6216 -0.0863 -0.0366 -0.0359 603 CLA b C1B +56170 C C2B . CLA QF . ? 0.6906 0.6841 0.7003 -0.0860 -0.0405 -0.0377 603 CLA b C2B +56171 C C3B . CLA QF . ? 0.7298 0.7319 0.7457 -0.0836 -0.0432 -0.0390 603 CLA b C3B +56172 C C4B . CLA QF . ? 0.7845 0.7899 0.8038 -0.0827 -0.0405 -0.0377 603 CLA b C4B +56173 C CMB . CLA QF . ? 0.6788 0.6655 0.6828 -0.0877 -0.0414 -0.0382 603 CLA b CMB +56174 C CAB . CLA QF . ? 0.8202 0.8266 0.8384 -0.0820 -0.0477 -0.0411 603 CLA b CAB +56175 C CBB . CLA QF . ? 0.7888 0.7960 0.8083 -0.0848 -0.0496 -0.0436 603 CLA b CBB +56176 N NC . CLA QF . ? 0.7063 0.7187 0.7318 -0.0792 -0.0358 -0.0350 603 CLA b NC +56177 C C1C . CLA QF . ? 0.7628 0.7789 0.7904 -0.0781 -0.0397 -0.0369 603 CLA b C1C +56178 C C2C . CLA QF . ? 0.6795 0.7024 0.7116 -0.0745 -0.0420 -0.0373 603 CLA b C2C +56179 C C3C . CLA QF . ? 0.6673 0.6906 0.7001 -0.0735 -0.0388 -0.0356 603 CLA b C3C +56180 C C4C . CLA QF . ? 0.7489 0.7656 0.7775 -0.0766 -0.0352 -0.0343 603 CLA b C4C +56181 C CMC . CLA QF . ? 0.7891 0.8171 0.8241 -0.0723 -0.0465 -0.0392 603 CLA b CMC +56182 C CAC . CLA QF . ? 0.7398 0.7683 0.7763 -0.0700 -0.0390 -0.0351 603 CLA b CAC +56183 C CBC . CLA QF . ? 0.6956 0.7189 0.7256 -0.0659 -0.0401 -0.0325 603 CLA b CBC +56184 N ND . CLA QF . ? 0.6512 0.6531 0.6690 -0.0807 -0.0289 -0.0309 603 CLA b ND +56185 C C1D . CLA QF . ? 0.6047 0.6118 0.6263 -0.0780 -0.0286 -0.0304 603 CLA b C1D +56186 C C2D . CLA QF . ? 0.7119 0.7158 0.7308 -0.0772 -0.0254 -0.0281 603 CLA b C2D +56187 C C3D . CLA QF . ? 0.6031 0.5988 0.6157 -0.0795 -0.0236 -0.0270 603 CLA b C3D +56188 C C4D . CLA QF . ? 0.6377 0.6328 0.6500 -0.0813 -0.0258 -0.0287 603 CLA b C4D +56189 C CMD . CLA QF . ? 0.6994 0.7062 0.7203 -0.0748 -0.0240 -0.0269 603 CLA b CMD +56190 C CAD . CLA QF . ? 0.6499 0.6377 0.6562 -0.0805 -0.0207 -0.0249 603 CLA b CAD +56191 O OBD . CLA QF . ? 0.7069 0.6929 0.7114 -0.0794 -0.0182 -0.0230 603 CLA b OBD +56192 C CBD . CLA QF . ? 0.7102 0.6923 0.7123 -0.0830 -0.0209 -0.0253 603 CLA b CBD +56193 C CGD . CLA QF . ? 0.7317 0.7114 0.7337 -0.0871 -0.0171 -0.0254 603 CLA b CGD +56194 O O1D . CLA QF . ? 0.7652 0.7374 0.7611 -0.0880 -0.0152 -0.0239 603 CLA b O1D +56195 O O2D . CLA QF . ? 0.7899 0.7761 0.7991 -0.0900 -0.0155 -0.0273 603 CLA b O2D +56196 C CED . CLA QF . ? 0.6794 0.6626 0.6876 -0.0933 -0.0114 -0.0269 603 CLA b CED +56197 C C1 . CLA QF . ? 0.6529 0.6223 0.6386 -0.0793 -0.0377 -0.0296 603 CLA b C1 +56198 C C2 . CLA QF . ? 0.7088 0.6843 0.6981 -0.0771 -0.0415 -0.0311 603 CLA b C2 +56199 C C3 . CLA QF . ? 0.7097 0.6844 0.6973 -0.0768 -0.0447 -0.0326 603 CLA b C3 +56200 C C4 . CLA QF . ? 0.8264 0.7940 0.8082 -0.0788 -0.0446 -0.0328 603 CLA b C4 +56201 C C5 . CLA QF . ? 0.8371 0.8182 0.8285 -0.0744 -0.0483 -0.0339 603 CLA b C5 +56202 C C6 . CLA QF . ? 0.9038 0.8839 0.8932 -0.0745 -0.0518 -0.0358 603 CLA b C6 +56203 C C7 . CLA QF . ? 0.8520 0.8404 0.8476 -0.0733 -0.0551 -0.0378 603 CLA b C7 +56204 C C8 . CLA QF . ? 0.9139 0.9030 0.9095 -0.0745 -0.0585 -0.0405 603 CLA b C8 +56205 C C9 . CLA QF . ? 0.9847 0.9831 0.9881 -0.0742 -0.0612 -0.0429 603 CLA b C9 +56206 C C10 . CLA QF . ? 0.9260 0.9096 0.9141 -0.0712 -0.0609 -0.0395 603 CLA b C10 +56207 C C11 . CLA QF . ? 1.0171 0.9962 1.0014 -0.0735 -0.0624 -0.0411 603 CLA b C11 +56208 C C12 . CLA QF . ? 0.9173 0.8914 0.8943 -0.0700 -0.0648 -0.0402 603 CLA b C12 +56209 C C13 . CLA QF . ? 0.9803 0.9523 0.9551 -0.0717 -0.0675 -0.0426 603 CLA b C13 +56210 C C14 . CLA QF . ? 0.9637 0.9319 0.9319 -0.0678 -0.0703 -0.0419 603 CLA b C14 +56211 C C15 . CLA QF . ? 1.0417 1.0073 1.0132 -0.0755 -0.0649 -0.0427 603 CLA b C15 +56212 C C16 . CLA QF . ? 1.0312 0.9930 0.9989 -0.0769 -0.0674 -0.0448 603 CLA b C16 +56213 C C17 . CLA QF . ? 1.1012 1.0699 1.0756 -0.0796 -0.0702 -0.0483 603 CLA b C17 +56214 C C18 . CLA QF . ? 1.3100 1.2745 1.2804 -0.0814 -0.0726 -0.0505 603 CLA b C18 +56215 C C19 . CLA QF . ? 1.0978 1.0548 1.0642 -0.0850 -0.0695 -0.0502 603 CLA b C19 +56216 C C20 . CLA QF . ? 1.0355 1.0074 1.0128 -0.0837 -0.0758 -0.0541 603 CLA b C20 +56217 MG MG . CLA RF . ? 0.6607 0.6147 0.6231 -0.0544 -0.0326 -0.0111 604 CLA b MG +56218 C CHA . CLA RF . ? 0.6845 0.6465 0.6582 -0.0620 -0.0298 -0.0150 604 CLA b CHA +56219 C CHB . CLA RF . ? 0.5977 0.5526 0.5617 -0.0528 -0.0276 -0.0077 604 CLA b CHB +56220 C CHC . CLA RF . ? 0.6092 0.5590 0.5633 -0.0467 -0.0356 -0.0078 604 CLA b CHC +56221 C CHD . CLA RF . ? 0.6271 0.5825 0.5893 -0.0557 -0.0389 -0.0155 604 CLA b CHD +56222 N NA . CLA RF . ? 0.6621 0.6200 0.6299 -0.0567 -0.0293 -0.0112 604 CLA b NA +56223 C C1A . CLA RF . ? 0.6241 0.5844 0.5956 -0.0597 -0.0283 -0.0127 604 CLA b C1A +56224 C C2A . CLA RF . ? 0.6912 0.6523 0.6647 -0.0609 -0.0253 -0.0121 604 CLA b C2A +56225 C C3A . CLA RF . ? 0.7022 0.6613 0.6727 -0.0578 -0.0249 -0.0098 604 CLA b C3A +56226 C C4A . CLA RF . ? 0.6843 0.6414 0.6515 -0.0556 -0.0275 -0.0095 604 CLA b C4A +56227 C CMA . CLA RF . ? 0.6683 0.6223 0.6348 -0.0583 -0.0222 -0.0082 604 CLA b CMA +56228 C CAA . CLA RF . ? 0.5869 0.5551 0.5673 -0.0618 -0.0252 -0.0136 604 CLA b CAA +56229 C CBA . CLA RF . ? 0.5857 0.5584 0.5686 -0.0587 -0.0279 -0.0140 604 CLA b CBA +56230 C CGA . CLA RF . ? 0.6536 0.6332 0.6432 -0.0591 -0.0276 -0.0153 604 CLA b CGA +56231 O O1A . CLA RF . ? 0.7676 0.7483 0.7593 -0.0607 -0.0250 -0.0152 604 CLA b O1A +56232 O O2A . CLA RF . ? 0.7075 0.6926 0.7010 -0.0574 -0.0304 -0.0166 604 CLA b O2A +56233 N NB . CLA RF . ? 0.6415 0.5943 0.6013 -0.0504 -0.0318 -0.0082 604 CLA b NB +56234 C C1B . CLA RF . ? 0.6173 0.5704 0.5779 -0.0502 -0.0297 -0.0070 604 CLA b C1B +56235 C C2B . CLA RF . ? 0.6895 0.6413 0.6477 -0.0473 -0.0297 -0.0051 604 CLA b C2B +56236 C C3B . CLA RF . ? 0.6556 0.6059 0.6110 -0.0456 -0.0320 -0.0051 604 CLA b C3B +56237 C C4B . CLA RF . ? 0.5862 0.5372 0.5427 -0.0477 -0.0332 -0.0071 604 CLA b C4B +56238 C CMB . CLA RF . ? 0.5950 0.5467 0.5533 -0.0463 -0.0280 -0.0036 604 CLA b CMB +56239 C CAB . CLA RF . ? 0.6208 0.5694 0.5730 -0.0426 -0.0329 -0.0037 604 CLA b CAB +56240 C CBB . CLA RF . ? 0.7327 0.6773 0.6810 -0.0417 -0.0316 -0.0020 604 CLA b CBB +56241 N NC . CLA RF . ? 0.7322 0.6850 0.6910 -0.0517 -0.0364 -0.0115 604 CLA b NC +56242 C C1C . CLA RF . ? 0.6649 0.6160 0.6204 -0.0486 -0.0372 -0.0099 604 CLA b C1C +56243 C C2C . CLA RF . ? 0.6794 0.6298 0.6326 -0.0471 -0.0399 -0.0106 604 CLA b C2C +56244 C C3C . CLA RF . ? 0.6222 0.5743 0.5778 -0.0497 -0.0410 -0.0129 604 CLA b C3C +56245 C C4C . CLA RF . ? 0.6678 0.6213 0.6268 -0.0524 -0.0386 -0.0132 604 CLA b C4C +56246 C CMC . CLA RF . ? 0.5956 0.5441 0.5450 -0.0438 -0.0412 -0.0093 604 CLA b CMC +56247 C CAC . CLA RF . ? 0.6068 0.5590 0.5613 -0.0496 -0.0439 -0.0146 604 CLA b CAC +56248 C CBC . CLA RF . ? 0.5704 0.5161 0.5184 -0.0492 -0.0438 -0.0139 604 CLA b CBC +56249 N ND . CLA RF . ? 0.6886 0.6465 0.6555 -0.0577 -0.0343 -0.0144 604 CLA b ND +56250 C C1D . CLA RF . ? 0.6929 0.6510 0.6595 -0.0583 -0.0368 -0.0161 604 CLA b C1D +56251 C C2D . CLA RF . ? 0.7306 0.6920 0.7016 -0.0618 -0.0369 -0.0185 604 CLA b C2D +56252 C C3D . CLA RF . ? 0.7098 0.6728 0.6839 -0.0633 -0.0339 -0.0180 604 CLA b C3D +56253 C C4D . CLA RF . ? 0.6079 0.5688 0.5793 -0.0608 -0.0327 -0.0156 604 CLA b C4D +56254 C CMD . CLA RF . ? 0.6770 0.6398 0.6494 -0.0636 -0.0392 -0.0209 604 CLA b CMD +56255 C CAD . CLA RF . ? 0.8398 0.8060 0.8187 -0.0664 -0.0317 -0.0190 604 CLA b CAD +56256 O OBD . CLA RF . ? 0.7592 0.7281 0.7418 -0.0695 -0.0319 -0.0212 604 CLA b OBD +56257 C CBD . CLA RF . ? 0.6970 0.6625 0.6755 -0.0656 -0.0290 -0.0171 604 CLA b CBD +56258 C CGD . CLA RF . ? 0.6463 0.6079 0.6232 -0.0689 -0.0261 -0.0170 604 CLA b CGD +56259 O O1D . CLA RF . ? 0.6726 0.6371 0.6535 -0.0711 -0.0241 -0.0177 604 CLA b O1D +56260 O O2D . CLA RF . ? 0.6631 0.6173 0.6337 -0.0695 -0.0254 -0.0160 604 CLA b O2D +56261 C CED . CLA RF . ? 0.6005 0.5510 0.5697 -0.0728 -0.0226 -0.0161 604 CLA b CED +56262 C C1 . CLA RF . ? 0.8024 0.7939 0.8018 -0.0568 -0.0302 -0.0175 604 CLA b C1 +56263 C C2 . CLA RF . ? 0.7736 0.7698 0.7762 -0.0555 -0.0337 -0.0193 604 CLA b C2 +56264 C C3 . CLA RF . ? 0.9981 1.0003 1.0069 -0.0573 -0.0340 -0.0216 604 CLA b C3 +56265 C C4 . CLA RF . ? 1.0811 1.0851 1.0934 -0.0607 -0.0308 -0.0223 604 CLA b C4 +56266 C C5 . CLA RF . ? 1.1382 1.1456 1.1507 -0.0560 -0.0376 -0.0236 604 CLA b C5 +56267 C C6 . CLA RF . ? 0.9210 0.9327 0.9363 -0.0526 -0.0385 -0.0233 604 CLA b C6 +56268 C C7 . CLA RF . ? 1.1843 1.2020 1.2040 -0.0511 -0.0420 -0.0254 604 CLA b C7 +56269 C C8 . CLA RF . ? 0.9441 0.9698 0.9719 -0.0522 -0.0413 -0.0274 604 CLA b C8 +56270 C C9 . CLA RF . ? 1.0015 1.0271 1.0306 -0.0537 -0.0373 -0.0266 604 CLA b C9 +56271 C C10 . CLA RF . ? 1.0467 1.0771 1.0772 -0.0483 -0.0441 -0.0280 604 CLA b C10 +56272 C C11 . CLA RF . ? 1.1977 1.2369 1.2368 -0.0492 -0.0442 -0.0305 604 CLA b C11 +56273 C C12 . CLA RF . ? 1.0995 1.1435 1.1416 -0.0475 -0.0485 -0.0326 604 CLA b C12 +56274 C C13 . CLA RF . ? 1.1991 1.2512 1.2483 -0.0456 -0.0493 -0.0342 604 CLA b C13 +56275 C C14 . CLA RF . ? 1.3131 1.3636 1.3593 -0.0408 -0.0505 -0.0325 604 CLA b C14 +56276 C C15 . CLA RF . ? 1.4207 1.4794 1.4752 -0.0459 -0.0527 -0.0372 604 CLA b C15 +56277 C C16 . CLA RF . ? 1.4980 1.5661 1.5614 -0.0456 -0.0527 -0.0394 604 CLA b C16 +56278 C C17 . CLA RF . ? 1.4811 1.5509 1.5481 -0.0488 -0.0481 -0.0394 604 CLA b C17 +56279 C C18 . CLA RF . ? 1.4226 1.5017 1.4991 -0.0512 -0.0479 -0.0426 604 CLA b C18 +56280 C C19 . CLA RF . ? 1.1858 1.2661 1.2637 -0.0544 -0.0498 -0.0447 604 CLA b C19 +56281 C C20 . CLA RF . ? 1.2718 1.3522 1.3513 -0.0542 -0.0431 -0.0424 604 CLA b C20 +56282 MG MG . CLA SF . ? 0.6394 0.6380 0.6455 -0.0534 -0.0256 -0.0158 605 CLA b MG +56283 C CHA . CLA SF . ? 0.5676 0.5509 0.5614 -0.0579 -0.0212 -0.0129 605 CLA b CHA +56284 C CHB . CLA SF . ? 0.6204 0.6271 0.6372 -0.0607 -0.0201 -0.0193 605 CLA b CHB +56285 C CHC . CLA SF . ? 0.5837 0.5969 0.6012 -0.0487 -0.0314 -0.0194 605 CLA b CHC +56286 C CHD . CLA SF . ? 0.6385 0.6277 0.6326 -0.0470 -0.0313 -0.0127 605 CLA b CHD +56287 N NA . CLA SF . ? 0.5855 0.5809 0.5908 -0.0585 -0.0216 -0.0161 605 CLA b NA +56288 C C1A . CLA SF . ? 0.6422 0.6315 0.6424 -0.0597 -0.0199 -0.0147 605 CLA b C1A +56289 C C2A . CLA SF . ? 0.5877 0.5756 0.5882 -0.0633 -0.0167 -0.0150 605 CLA b C2A +56290 C C3A . CLA SF . ? 0.6317 0.6272 0.6396 -0.0642 -0.0162 -0.0169 605 CLA b C3A +56291 C C4A . CLA SF . ? 0.7327 0.7323 0.7429 -0.0609 -0.0195 -0.0175 605 CLA b C4A +56292 C CMA . CLA SF . ? 0.6194 0.6153 0.6278 -0.0637 -0.0133 -0.0160 605 CLA b CMA +56293 C CAA . CLA SF . ? 0.6688 0.6537 0.6676 -0.0662 -0.0169 -0.0158 605 CLA b CAA +56294 C CBA . CLA SF . ? 0.6478 0.6377 0.6511 -0.0669 -0.0196 -0.0181 605 CLA b CBA +56295 C CGA . CLA SF . ? 0.6966 0.6828 0.6968 -0.0685 -0.0210 -0.0187 605 CLA b CGA +56296 O O1A . CLA SF . ? 0.6800 0.6603 0.6758 -0.0704 -0.0194 -0.0179 605 CLA b O1A +56297 O O2A . CLA SF . ? 0.7589 0.7483 0.7613 -0.0677 -0.0244 -0.0202 605 CLA b O2A +56298 N NB . CLA SF . ? 0.6718 0.6807 0.6879 -0.0546 -0.0257 -0.0189 605 CLA b NB +56299 C C1B . CLA SF . ? 0.6232 0.6348 0.6431 -0.0576 -0.0232 -0.0201 605 CLA b C1B +56300 C C2B . CLA SF . ? 0.6305 0.6503 0.6580 -0.0576 -0.0239 -0.0223 605 CLA b C2B +56301 C C3B . CLA SF . ? 0.6477 0.6694 0.6753 -0.0538 -0.0274 -0.0224 605 CLA b C3B +56302 C C4B . CLA SF . ? 0.5737 0.5880 0.5939 -0.0523 -0.0282 -0.0202 605 CLA b C4B +56303 C CMB . CLA SF . ? 0.6505 0.6757 0.6842 -0.0605 -0.0215 -0.0241 605 CLA b CMB +56304 C CAB . CLA SF . ? 0.6379 0.6671 0.6717 -0.0519 -0.0295 -0.0242 605 CLA b CAB +56305 C CBB . CLA SF . ? 0.7788 0.8087 0.8118 -0.0483 -0.0325 -0.0240 605 CLA b CBB +56306 N NC . CLA SF . ? 0.5574 0.5578 0.5630 -0.0490 -0.0303 -0.0160 605 CLA b NC +56307 C C1C . CLA SF . ? 0.6151 0.6215 0.6256 -0.0475 -0.0322 -0.0175 605 CLA b C1C +56308 C C2C . CLA SF . ? 0.5811 0.5872 0.5896 -0.0442 -0.0355 -0.0172 605 CLA b C2C +56309 C C3C . CLA SF . ? 0.5672 0.5662 0.5688 -0.0439 -0.0353 -0.0152 605 CLA b C3C +56310 C C4C . CLA SF . ? 0.7033 0.6995 0.7039 -0.0469 -0.0321 -0.0146 605 CLA b C4C +56311 C CMC . CLA SF . ? 0.6070 0.6184 0.6193 -0.0417 -0.0384 -0.0185 605 CLA b CMC +56312 C CAC . CLA SF . ? 0.6365 0.6317 0.6331 -0.0412 -0.0376 -0.0140 605 CLA b CAC +56313 C CBC . CLA SF . ? 0.5983 0.5923 0.5934 -0.0425 -0.0395 -0.0150 605 CLA b CBC +56314 N ND . CLA SF . ? 0.6305 0.6198 0.6274 -0.0525 -0.0264 -0.0135 605 CLA b ND +56315 C C1D . CLA SF . ? 0.5652 0.5511 0.5576 -0.0500 -0.0285 -0.0123 605 CLA b C1D +56316 C C2D . CLA SF . ? 0.6378 0.6170 0.6241 -0.0504 -0.0277 -0.0107 605 CLA b C2D +56317 C C3D . CLA SF . ? 0.5393 0.5175 0.5263 -0.0536 -0.0248 -0.0110 605 CLA b C3D +56318 C C4D . CLA SF . ? 0.4999 0.4840 0.4930 -0.0546 -0.0242 -0.0126 605 CLA b C4D +56319 C CMD . CLA SF . ? 0.5834 0.5576 0.5640 -0.0485 -0.0289 -0.0092 605 CLA b CMD +56320 C CAD . CLA SF . ? 0.6704 0.6438 0.6542 -0.0560 -0.0222 -0.0103 605 CLA b CAD +56321 O OBD . CLA SF . ? 0.5816 0.5493 0.5599 -0.0556 -0.0221 -0.0089 605 CLA b OBD +56322 C CBD . CLA SF . ? 0.5758 0.5520 0.5636 -0.0588 -0.0198 -0.0114 605 CLA b CBD +56323 C CGD . CLA SF . ? 0.6756 0.6498 0.6616 -0.0582 -0.0173 -0.0098 605 CLA b CGD +56324 O O1D . CLA SF . ? 0.6702 0.6419 0.6550 -0.0604 -0.0146 -0.0095 605 CLA b O1D +56325 O O2D . CLA SF . ? 0.7215 0.6965 0.7071 -0.0550 -0.0178 -0.0086 605 CLA b O2D +56326 C CED . CLA SF . ? 0.6765 0.6493 0.6602 -0.0547 -0.0154 -0.0072 605 CLA b CED +56327 C C1 . CLA SF . ? 0.7280 0.7141 0.7275 -0.0691 -0.0259 -0.0209 605 CLA b C1 +56328 C C2 . CLA SF . ? 0.8179 0.8095 0.8213 -0.0678 -0.0295 -0.0228 605 CLA b C2 +56329 C C3 . CLA SF . ? 0.7953 0.7864 0.7983 -0.0692 -0.0315 -0.0243 605 CLA b C3 +56330 C C4 . CLA SF . ? 0.9213 0.9061 0.9200 -0.0722 -0.0302 -0.0242 605 CLA b C4 +56331 C C5 . CLA SF . ? 0.8040 0.8007 0.8109 -0.0678 -0.0352 -0.0262 605 CLA b C5 +56332 C C6 . CLA SF . ? 0.9264 0.9201 0.9303 -0.0687 -0.0376 -0.0272 605 CLA b C6 +56333 C C7 . CLA SF . ? 0.9880 0.9885 0.9973 -0.0685 -0.0409 -0.0298 605 CLA b C7 +56334 C C8 . CLA SF . ? 0.9870 0.9844 0.9921 -0.0675 -0.0441 -0.0303 605 CLA b C8 +56335 C C9 . CLA SF . ? 0.9074 0.8977 0.9073 -0.0702 -0.0427 -0.0300 605 CLA b C9 +56336 C C10 . CLA SF . ? 0.8911 0.8953 0.9020 -0.0681 -0.0472 -0.0333 605 CLA b C10 +56337 C C11 . CLA SF . ? 0.8330 0.8346 0.8401 -0.0673 -0.0506 -0.0341 605 CLA b C11 +56338 C C12 . CLA SF . ? 0.9185 0.9255 0.9283 -0.0639 -0.0543 -0.0351 605 CLA b C12 +56339 C C13 . CLA SF . ? 0.8368 0.8524 0.8551 -0.0657 -0.0556 -0.0381 605 CLA b C13 +56340 C C14 . CLA SF . ? 0.8762 0.8968 0.8966 -0.0618 -0.0593 -0.0388 605 CLA b C14 +56341 C C15 . CLA SF . ? 1.0492 1.0641 1.0678 -0.0695 -0.0566 -0.0404 605 CLA b C15 +56342 C C16 . CLA SF . ? 0.8547 0.8782 0.8815 -0.0712 -0.0589 -0.0437 605 CLA b C16 +56343 C C17 . CLA SF . ? 0.8959 0.9241 0.9293 -0.0747 -0.0556 -0.0447 605 CLA b C17 +56344 C C18 . CLA SF . ? 0.9822 1.0188 1.0239 -0.0772 -0.0574 -0.0482 605 CLA b C18 +56345 C C19 . CLA SF . ? 0.8913 0.9251 0.9314 -0.0807 -0.0588 -0.0501 605 CLA b C19 +56346 C C20 . CLA SF . ? 0.8478 0.8898 0.8966 -0.0800 -0.0539 -0.0489 605 CLA b C20 +56347 MG MG . CLA TF . ? 0.7117 0.7451 0.7591 -0.0770 -0.0112 -0.0297 606 CLA b MG +56348 C CHA . CLA TF . ? 0.6266 0.6545 0.6688 -0.0754 -0.0033 -0.0259 606 CLA b CHA +56349 C CHB . CLA TF . ? 0.6419 0.6578 0.6712 -0.0714 -0.0142 -0.0242 606 CLA b CHB +56350 C CHC . CLA TF . ? 0.6437 0.6849 0.6968 -0.0752 -0.0209 -0.0337 606 CLA b CHC +56351 C CHD . CLA TF . ? 0.6917 0.7474 0.7609 -0.0808 -0.0083 -0.0359 606 CLA b CHD +56352 N NA . CLA TF . ? 0.7117 0.7357 0.7495 -0.0738 -0.0094 -0.0257 606 CLA b NA +56353 C C1A . CLA TF . ? 0.5894 0.6115 0.6258 -0.0739 -0.0062 -0.0245 606 CLA b C1A +56354 C C2A . CLA TF . ? 0.6895 0.7036 0.7179 -0.0720 -0.0055 -0.0217 606 CLA b C2A +56355 C C3A . CLA TF . ? 0.7015 0.7121 0.7262 -0.0709 -0.0089 -0.0213 606 CLA b C3A +56356 C C4A . CLA TF . ? 0.6727 0.6899 0.7037 -0.0722 -0.0109 -0.0239 606 CLA b C4A +56357 C CMA . CLA TF . ? 0.6074 0.6104 0.6261 -0.0736 -0.0073 -0.0202 606 CLA b CMA +56358 C CAA . CLA TF . ? 0.5397 0.5548 0.5676 -0.0679 -0.0061 -0.0206 606 CLA b CAA +56359 C CBA . CLA TF . ? 0.5712 0.5920 0.6033 -0.0647 -0.0096 -0.0216 606 CLA b CBA +56360 C CGA . CLA TF . ? 0.6675 0.6844 0.6946 -0.0611 -0.0124 -0.0199 606 CLA b CGA +56361 O O1A . CLA TF . ? 0.6619 0.6719 0.6826 -0.0608 -0.0121 -0.0180 606 CLA b O1A +56362 O O2A . CLA TF . ? 0.6353 0.6566 0.6653 -0.0576 -0.0155 -0.0206 606 CLA b O2A +56363 N NB . CLA TF . ? 0.6747 0.7036 0.7166 -0.0739 -0.0165 -0.0290 606 CLA b NB +56364 C C1B . CLA TF . ? 0.6991 0.7206 0.7335 -0.0720 -0.0170 -0.0266 606 CLA b C1B +56365 C C2B . CLA TF . ? 0.7262 0.7458 0.7578 -0.0702 -0.0208 -0.0266 606 CLA b C2B +56366 C C3B . CLA TF . ? 0.7158 0.7428 0.7543 -0.0713 -0.0230 -0.0294 606 CLA b C3B +56367 C C4B . CLA TF . ? 0.7309 0.7634 0.7756 -0.0735 -0.0200 -0.0307 606 CLA b C4B +56368 C CMB . CLA TF . ? 0.6900 0.7023 0.7139 -0.0680 -0.0221 -0.0243 606 CLA b CMB +56369 C CAB . CLA TF . ? 0.7459 0.7743 0.7847 -0.0703 -0.0271 -0.0307 606 CLA b CAB +56370 C CBB . CLA TF . ? 0.8932 0.9280 0.9367 -0.0679 -0.0300 -0.0321 606 CLA b CBB +56371 N NC . CLA TF . ? 0.8893 0.9349 0.9480 -0.0780 -0.0140 -0.0338 606 CLA b NC +56372 C C1C . CLA TF . ? 0.7099 0.7575 0.7697 -0.0769 -0.0181 -0.0351 606 CLA b C1C +56373 C C2C . CLA TF . ? 0.7651 0.8225 0.8338 -0.0775 -0.0197 -0.0381 606 CLA b C2C +56374 C C3C . CLA TF . ? 0.7007 0.7624 0.7744 -0.0791 -0.0159 -0.0387 606 CLA b C3C +56375 C C4C . CLA TF . ? 0.6811 0.7348 0.7477 -0.0793 -0.0126 -0.0359 606 CLA b C4C +56376 C CMC . CLA TF . ? 0.6806 0.7425 0.7526 -0.0764 -0.0243 -0.0402 606 CLA b CMC +56377 C CAC . CLA TF . ? 0.7637 0.8356 0.8471 -0.0803 -0.0152 -0.0415 606 CLA b CAC +56378 C CBC . CLA TF . ? 0.7430 0.8196 0.8289 -0.0753 -0.0172 -0.0414 606 CLA b CBC +56379 N ND . CLA TF . ? 0.7164 0.7568 0.7707 -0.0779 -0.0070 -0.0307 606 CLA b ND +56380 C C1D . CLA TF . ? 0.7984 0.8473 0.8612 -0.0796 -0.0057 -0.0331 606 CLA b C1D +56381 C C2D . CLA TF . ? 0.7762 0.8263 0.8403 -0.0799 -0.0017 -0.0326 606 CLA b C2D +56382 C C3D . CLA TF . ? 0.7847 0.8259 0.8400 -0.0781 -0.0009 -0.0296 606 CLA b C3D +56383 C C4D . CLA TF . ? 0.7177 0.7542 0.7683 -0.0771 -0.0040 -0.0287 606 CLA b C4D +56384 C CMD . CLA TF . ? 0.8336 0.8911 0.9050 -0.0814 0.0012 -0.0344 606 CLA b CMD +56385 C CAD . CLA TF . ? 0.7920 0.8276 0.8418 -0.0771 0.0019 -0.0273 606 CLA b CAD +56386 O OBD . CLA TF . ? 0.8779 0.9157 0.9299 -0.0776 0.0052 -0.0274 606 CLA b OBD +56387 C CBD . CLA TF . ? 0.7501 0.7774 0.7918 -0.0753 0.0003 -0.0249 606 CLA b CBD +56388 C CGD . CLA TF . ? 0.6887 0.7084 0.7242 -0.0778 0.0036 -0.0233 606 CLA b CGD +56389 O O1D . CLA TF . ? 0.8606 0.8795 0.8968 -0.0818 0.0058 -0.0241 606 CLA b O1D +56390 O O2D . CLA TF . ? 0.8507 0.8635 0.8791 -0.0756 0.0043 -0.0207 606 CLA b O2D +56391 C CED . CLA TF . ? 0.7738 0.7799 0.7967 -0.0778 0.0075 -0.0192 606 CLA b CED +56392 C C1 . CLA TF . ? 0.6947 0.7124 0.7201 -0.0544 -0.0180 -0.0191 606 CLA b C1 +56393 C C2 . CLA TF . ? 0.6231 0.6465 0.6527 -0.0512 -0.0206 -0.0201 606 CLA b C2 +56394 C C3 . CLA TF . ? 0.7705 0.7919 0.7971 -0.0478 -0.0232 -0.0190 606 CLA b C3 +56395 C C4 . CLA TF . ? 0.5610 0.5747 0.5802 -0.0472 -0.0235 -0.0168 606 CLA b C4 +56396 C C5 . CLA TF . ? 0.6333 0.6602 0.6639 -0.0446 -0.0257 -0.0202 606 CLA b C5 +56397 C C6 . CLA TF . ? 0.7094 0.7371 0.7406 -0.0422 -0.0244 -0.0194 606 CLA b C6 +56398 C C7 . CLA TF . ? 0.7863 0.8193 0.8214 -0.0388 -0.0269 -0.0205 606 CLA b C7 +56399 C C8 . CLA TF . ? 0.8947 0.9277 0.9295 -0.0361 -0.0257 -0.0197 606 CLA b C8 +56400 C C9 . CLA TF . ? 0.8388 0.8641 0.8665 -0.0352 -0.0249 -0.0170 606 CLA b C9 +56401 C C10 . CLA TF . ? 1.0243 1.0616 1.0621 -0.0323 -0.0285 -0.0206 606 CLA b C10 +56402 C C11 . CLA TF . ? 1.1933 1.2382 1.2384 -0.0322 -0.0275 -0.0227 606 CLA b C11 +56403 C C12 . CLA TF . ? 1.3811 1.4287 1.4278 -0.0278 -0.0293 -0.0230 606 CLA b C12 +56404 C C13 . CLA TF . ? 1.6077 1.6623 1.6601 -0.0263 -0.0324 -0.0253 606 CLA b C13 +56405 C C14 . CLA TF . ? 1.2137 1.2752 1.2733 -0.0295 -0.0310 -0.0277 606 CLA b C14 +56406 C C15 . CLA TF . ? 1.6348 1.6920 1.6888 -0.0219 -0.0338 -0.0256 606 CLA b C15 +56407 C C16 . CLA TF . ? 1.4317 1.4822 1.4793 -0.0192 -0.0336 -0.0232 606 CLA b C16 +56408 C C17 . CLA TF . ? 1.4749 1.5224 1.5185 -0.0158 -0.0373 -0.0224 606 CLA b C17 +56409 C C18 . CLA TF . ? 1.4529 1.5028 1.4980 -0.0113 -0.0391 -0.0229 606 CLA b C18 +56410 C C19 . CLA TF . ? 1.5623 1.6159 1.6115 -0.0107 -0.0366 -0.0237 606 CLA b C19 +56411 C C20 . CLA TF . ? 1.0828 1.1255 1.1207 -0.0084 -0.0405 -0.0206 606 CLA b C20 +56412 MG MG . CLA UF . ? 0.6465 0.5797 0.5891 -0.0454 -0.0192 0.0036 607 CLA b MG +56413 C CHA . CLA UF . ? 0.6552 0.5801 0.5903 -0.0447 -0.0155 0.0066 607 CLA b CHA +56414 C CHB . CLA UF . ? 0.6042 0.5294 0.5415 -0.0498 -0.0182 0.0020 607 CLA b CHB +56415 C CHC . CLA UF . ? 0.6514 0.5909 0.5982 -0.0443 -0.0241 0.0011 607 CLA b CHC +56416 C CHD . CLA UF . ? 0.5910 0.5296 0.5365 -0.0403 -0.0203 0.0057 607 CLA b CHD +56417 N NA . CLA UF . ? 0.6583 0.5846 0.5954 -0.0469 -0.0172 0.0043 607 CLA b NA +56418 C C1A . CLA UF . ? 0.6676 0.5912 0.6023 -0.0466 -0.0157 0.0054 607 CLA b C1A +56419 C C2A . CLA UF . ? 0.6689 0.5874 0.5998 -0.0480 -0.0144 0.0055 607 CLA b C2A +56420 C C3A . CLA UF . ? 0.6232 0.5419 0.5550 -0.0498 -0.0152 0.0040 607 CLA b C3A +56421 C C4A . CLA UF . ? 0.6606 0.5845 0.5964 -0.0488 -0.0169 0.0034 607 CLA b C4A +56422 C CMA . CLA UF . ? 0.6021 0.5210 0.5356 -0.0528 -0.0135 0.0031 607 CLA b CMA +56423 C CAA . CLA UF . ? 0.5660 0.4805 0.4924 -0.0460 -0.0149 0.0066 607 CLA b CAA +56424 C CBA . CLA UF . ? 0.6459 0.5615 0.5724 -0.0447 -0.0168 0.0063 607 CLA b CBA +56425 C CGA . CLA UF . ? 0.6293 0.5422 0.5522 -0.0423 -0.0174 0.0074 607 CLA b CGA +56426 O O1A . CLA UF . ? 0.6765 0.5867 0.5966 -0.0413 -0.0166 0.0084 607 CLA b O1A +56427 O O2A . CLA UF . ? 0.6509 0.5648 0.5738 -0.0412 -0.0190 0.0070 607 CLA b O2A +56428 N NB . CLA UF . ? 0.6527 0.5855 0.5952 -0.0470 -0.0208 0.0018 607 CLA b NB +56429 C C1B . CLA UF . ? 0.6238 0.5534 0.5642 -0.0489 -0.0203 0.0012 607 CLA b C1B +56430 C C2B . CLA UF . ? 0.7018 0.6319 0.6426 -0.0496 -0.0220 -0.0002 607 CLA b C2B +56431 C C3B . CLA UF . ? 0.6639 0.5985 0.6076 -0.0478 -0.0238 -0.0004 607 CLA b C3B +56432 C C4B . CLA UF . ? 0.6195 0.5552 0.5639 -0.0463 -0.0228 0.0009 607 CLA b C4B +56433 C CMB . CLA UF . ? 0.6991 0.6259 0.6378 -0.0517 -0.0219 -0.0013 607 CLA b CMB +56434 C CAB . CLA UF . ? 0.6855 0.6226 0.6307 -0.0473 -0.0261 -0.0017 607 CLA b CAB +56435 C CBB . CLA UF . ? 0.7344 0.6721 0.6809 -0.0493 -0.0269 -0.0034 607 CLA b CBB +56436 N NC . CLA UF . ? 0.6621 0.6002 0.6077 -0.0428 -0.0215 0.0035 607 CLA b NC +56437 C C1C . CLA UF . ? 0.6764 0.6165 0.6233 -0.0426 -0.0234 0.0025 607 CLA b C1C +56438 C C2C . CLA UF . ? 0.6791 0.6218 0.6273 -0.0404 -0.0249 0.0029 607 CLA b C2C +56439 C C3C . CLA UF . ? 0.6267 0.5690 0.5745 -0.0393 -0.0236 0.0042 607 CLA b C3C +56440 C C4C . CLA UF . ? 0.6521 0.5917 0.5984 -0.0409 -0.0217 0.0045 607 CLA b C4C +56441 C CMC . CLA UF . ? 0.5804 0.5252 0.5296 -0.0394 -0.0271 0.0020 607 CLA b CMC +56442 C CAC . CLA UF . ? 0.6158 0.5597 0.5642 -0.0372 -0.0242 0.0051 607 CLA b CAC +56443 C CBC . CLA UF . ? 0.5682 0.5090 0.5128 -0.0356 -0.0246 0.0064 607 CLA b CBC +56444 N ND . CLA UF . ? 0.6292 0.5618 0.5703 -0.0431 -0.0182 0.0056 607 CLA b ND +56445 C C1D . CLA UF . ? 0.6076 0.5426 0.5503 -0.0413 -0.0187 0.0063 607 CLA b C1D +56446 C C2D . CLA UF . ? 0.7276 0.6609 0.6685 -0.0405 -0.0175 0.0076 607 CLA b C2D +56447 C C3D . CLA UF . ? 0.5810 0.5104 0.5190 -0.0418 -0.0163 0.0076 607 CLA b C3D +56448 C C4D . CLA UF . ? 0.5341 0.4632 0.4723 -0.0433 -0.0167 0.0065 607 CLA b C4D +56449 C CMD . CLA UF . ? 0.6312 0.5658 0.5727 -0.0388 -0.0175 0.0085 607 CLA b CMD +56450 C CAD . CLA UF . ? 0.6256 0.5510 0.5601 -0.0422 -0.0148 0.0085 607 CLA b CAD +56451 O OBD . CLA UF . ? 0.6379 0.5624 0.5712 -0.0411 -0.0142 0.0095 607 CLA b OBD +56452 C CBD . CLA UF . ? 0.6548 0.5771 0.5873 -0.0439 -0.0143 0.0079 607 CLA b CBD +56453 C CGD . CLA UF . ? 0.6973 0.6185 0.6297 -0.0457 -0.0123 0.0078 607 CLA b CGD +56454 O O1D . CLA UF . ? 0.6608 0.5776 0.5895 -0.0463 -0.0112 0.0082 607 CLA b O1D +56455 O O2D . CLA UF . ? 0.6554 0.5804 0.5916 -0.0466 -0.0116 0.0072 607 CLA b O2D +56456 C CED . CLA UF . ? 0.6311 0.5544 0.5664 -0.0479 -0.0096 0.0073 607 CLA b CED +56457 C C1 . CLA UF . ? 0.7936 0.7058 0.7137 -0.0390 -0.0195 0.0079 607 CLA b C1 +56458 C C2 . CLA UF . ? 0.6831 0.5957 0.6029 -0.0386 -0.0211 0.0071 607 CLA b C2 +56459 C C3 . CLA UF . ? 1.0100 0.9216 0.9276 -0.0366 -0.0217 0.0077 607 CLA b C3 +56460 C C4 . CLA UF . ? 0.7572 0.6676 0.6730 -0.0346 -0.0211 0.0091 607 CLA b C4 +56461 C C5 . CLA UF . ? 0.8183 0.7300 0.7352 -0.0364 -0.0232 0.0068 607 CLA b C5 +56462 C C6 . CLA UF . ? 0.8841 0.7987 0.8022 -0.0345 -0.0243 0.0072 607 CLA b C6 +56463 C C7 . CLA UF . ? 0.9436 0.8562 0.8587 -0.0334 -0.0253 0.0070 607 CLA b C7 +56464 C C8 . CLA UF . ? 0.9793 0.8946 0.8954 -0.0318 -0.0263 0.0074 607 CLA b C8 +56465 C C9 . CLA UF . ? 1.0889 1.0045 1.0044 -0.0299 -0.0254 0.0089 607 CLA b C9 +56466 C C10 . CLA UF . ? 0.9084 0.8223 0.8221 -0.0312 -0.0275 0.0066 607 CLA b C10 +56467 C C11 . CLA UF . ? 1.1268 1.0430 1.0409 -0.0295 -0.0284 0.0071 607 CLA b C11 +56468 C C12 . CLA UF . ? 1.1073 1.0210 1.0176 -0.0284 -0.0293 0.0068 607 CLA b C12 +56469 C C13 . CLA UF . ? 1.1887 1.1040 1.0988 -0.0269 -0.0303 0.0071 607 CLA b C13 +56470 C C14 . CLA UF . ? 1.0454 0.9623 0.9567 -0.0257 -0.0293 0.0087 607 CLA b C14 +56471 C C15 . CLA UF . ? 0.8835 0.7958 0.7893 -0.0258 -0.0308 0.0069 607 CLA b C15 +56472 C C16 . CLA UF . ? 0.9841 0.8974 0.8893 -0.0249 -0.0325 0.0064 607 CLA b C16 +56473 C C17 . CLA UF . ? 0.9508 0.8610 0.8513 -0.0234 -0.0326 0.0065 607 CLA b C17 +56474 C C18 . CLA UF . ? 0.9587 0.8696 0.8580 -0.0221 -0.0340 0.0065 607 CLA b C18 +56475 C C19 . CLA UF . ? 1.0086 0.9162 0.9028 -0.0207 -0.0341 0.0065 607 CLA b C19 +56476 C C20 . CLA UF . ? 1.2549 1.1677 1.1562 -0.0232 -0.0361 0.0050 607 CLA b C20 +56477 MG MG . CLA VF . ? 0.7508 0.6893 0.6772 -0.0486 -0.0754 -0.0337 608 CLA b MG +56478 C CHA . CLA VF . ? 0.6630 0.6146 0.5964 -0.0442 -0.0840 -0.0368 608 CLA b CHA +56479 C CHB . CLA VF . ? 0.6917 0.6176 0.5997 -0.0423 -0.0784 -0.0325 608 CLA b CHB +56480 C CHC . CLA VF . ? 0.7367 0.6620 0.6558 -0.0533 -0.0683 -0.0318 608 CLA b CHC +56481 C CHD . CLA VF . ? 0.7048 0.6574 0.6509 -0.0565 -0.0728 -0.0365 608 CLA b CHD +56482 N NA . CLA VF . ? 0.7364 0.6750 0.6579 -0.0443 -0.0804 -0.0345 608 CLA b NA +56483 C C1A . CLA VF . ? 0.6996 0.6433 0.6241 -0.0427 -0.0833 -0.0355 608 CLA b C1A +56484 C C2A . CLA VF . ? 0.7440 0.6853 0.6626 -0.0390 -0.0861 -0.0353 608 CLA b C2A +56485 C C3A . CLA VF . ? 0.8314 0.7647 0.7422 -0.0385 -0.0840 -0.0337 608 CLA b C3A +56486 C C4A . CLA VF . ? 0.7060 0.6386 0.6197 -0.0420 -0.0808 -0.0336 608 CLA b C4A +56487 C CMA . CLA VF . ? 0.7366 0.6680 0.6444 -0.0351 -0.0820 -0.0306 608 CLA b CMA +56488 C CAA . CLA VF . ? 0.8235 0.7665 0.7423 -0.0397 -0.0904 -0.0385 608 CLA b CAA +56489 C CBA . CLA VF . ? 0.7585 0.6974 0.6747 -0.0429 -0.0905 -0.0404 608 CLA b CBA +56490 C CGA . CLA VF . ? 0.7972 0.7392 0.7200 -0.0474 -0.0889 -0.0417 608 CLA b CGA +56491 O O1A . CLA VF . ? 0.8536 0.8026 0.7840 -0.0487 -0.0898 -0.0431 608 CLA b O1A +56492 O O2A . CLA VF . ? 0.8657 0.8022 0.7859 -0.0501 -0.0858 -0.0413 608 CLA b O2A +56493 N NB . CLA VF . ? 0.7455 0.6732 0.6612 -0.0480 -0.0737 -0.0324 608 CLA b NB +56494 C C1B . CLA VF . ? 0.6204 0.5438 0.5294 -0.0452 -0.0751 -0.0320 608 CLA b C1B +56495 C C2B . CLA VF . ? 0.7053 0.6212 0.6076 -0.0453 -0.0731 -0.0310 608 CLA b C2B +56496 C C3B . CLA VF . ? 0.5836 0.4991 0.4892 -0.0485 -0.0701 -0.0308 608 CLA b C3B +56497 C C4B . CLA VF . ? 0.6514 0.5746 0.5652 -0.0500 -0.0708 -0.0317 608 CLA b C4B +56498 C CMB . CLA VF . ? 0.7604 0.6705 0.6545 -0.0425 -0.0739 -0.0304 608 CLA b CMB +56499 C CAB . CLA VF . ? 0.7546 0.6640 0.6565 -0.0500 -0.0672 -0.0300 608 CLA b CAB +56500 C CBB . CLA VF . ? 0.7131 0.6167 0.6084 -0.0478 -0.0658 -0.0284 608 CLA b CBB +56501 N NC . CLA VF . ? 0.6857 0.6245 0.6172 -0.0539 -0.0715 -0.0341 608 CLA b NC +56502 C C1C . CLA VF . ? 0.7315 0.6641 0.6588 -0.0552 -0.0688 -0.0331 608 CLA b C1C +56503 C C2C . CLA VF . ? 0.7817 0.7152 0.7133 -0.0590 -0.0661 -0.0333 608 CLA b C2C +56504 C C3C . CLA VF . ? 0.7391 0.6807 0.6786 -0.0599 -0.0674 -0.0347 608 CLA b C3C +56505 C C4C . CLA VF . ? 0.6886 0.6330 0.6275 -0.0566 -0.0708 -0.0351 608 CLA b C4C +56506 C CMC . CLA VF . ? 0.7476 0.6752 0.6762 -0.0612 -0.0629 -0.0324 608 CLA b CMC +56507 C CAC . CLA VF . ? 0.8228 0.7688 0.7693 -0.0635 -0.0655 -0.0356 608 CLA b CAC +56508 C CBC . CLA VF . ? 0.8689 0.8168 0.8173 -0.0617 -0.0630 -0.0330 608 CLA b CBC +56509 N ND . CLA VF . ? 0.6888 0.6383 0.6263 -0.0504 -0.0777 -0.0362 608 CLA b ND +56510 C C1D . CLA VF . ? 0.6942 0.6493 0.6395 -0.0532 -0.0764 -0.0370 608 CLA b C1D +56511 C C2D . CLA VF . ? 0.6902 0.6534 0.6421 -0.0523 -0.0787 -0.0383 608 CLA b C2D +56512 C C3D . CLA VF . ? 0.6404 0.6021 0.5874 -0.0485 -0.0820 -0.0382 608 CLA b C3D +56513 C C4D . CLA VF . ? 0.6158 0.5697 0.5549 -0.0478 -0.0811 -0.0371 608 CLA b C4D +56514 C CMD . CLA VF . ? 0.6745 0.6453 0.6353 -0.0542 -0.0782 -0.0395 608 CLA b CMD +56515 C CAD . CLA VF . ? 0.7038 0.6687 0.6507 -0.0451 -0.0858 -0.0389 608 CLA b CAD +56516 O OBD . CLA VF . ? 0.7885 0.7605 0.7417 -0.0445 -0.0876 -0.0401 608 CLA b OBD +56517 C CBD . CLA VF . ? 0.7651 0.7236 0.7033 -0.0424 -0.0871 -0.0380 608 CLA b CBD +56518 C CGD . CLA VF . ? 0.7998 0.7581 0.7355 -0.0381 -0.0873 -0.0357 608 CLA b CGD +56519 O O1D . CLA VF . ? 0.9053 0.8612 0.8393 -0.0370 -0.0843 -0.0331 608 CLA b O1D +56520 O O2D . CLA VF . ? 0.7969 0.7578 0.7320 -0.0351 -0.0913 -0.0367 608 CLA b O2D +56521 C CED . CLA VF . ? 0.8584 0.8180 0.7901 -0.0310 -0.0913 -0.0344 608 CLA b CED +56522 C C1 . CLA VF . ? 0.8686 0.8075 0.7946 -0.0542 -0.0838 -0.0422 608 CLA b C1 +56523 C C2 . CLA VF . ? 0.8650 0.7997 0.7887 -0.0576 -0.0840 -0.0442 608 CLA b C2 +56524 C C3 . CLA VF . ? 0.9327 0.8615 0.8531 -0.0593 -0.0807 -0.0431 608 CLA b C3 +56525 C C4 . CLA VF . ? 0.8219 0.7487 0.7412 -0.0578 -0.0768 -0.0398 608 CLA b C4 +56526 C C5 . CLA VF . ? 0.8436 0.7676 0.7613 -0.0627 -0.0808 -0.0451 608 CLA b C5 +56527 C C6 . CLA VF . ? 0.7888 0.7151 0.7125 -0.0673 -0.0787 -0.0461 608 CLA b C6 +56528 C C7 . CLA VF . ? 0.9931 0.9141 0.9138 -0.0709 -0.0787 -0.0481 608 CLA b C7 +56529 C C8 . CLA VF . ? 0.9278 0.8506 0.8541 -0.0757 -0.0763 -0.0490 608 CLA b C8 +56530 C C9 . CLA VF . ? 0.9414 0.8730 0.8764 -0.0780 -0.0787 -0.0517 608 CLA b C9 +56531 C C10 . CLA VF . ? 0.9495 0.8645 0.8708 -0.0787 -0.0753 -0.0500 608 CLA b C10 +56532 C C11 . CLA VF . ? 0.8549 0.7715 0.7815 -0.0835 -0.0727 -0.0508 608 CLA b C11 +56533 C C12 . CLA VF . ? 0.9094 0.8171 0.8304 -0.0860 -0.0702 -0.0505 608 CLA b C12 +56534 C C13 . CLA VF . ? 1.0558 0.9656 0.9825 -0.0906 -0.0675 -0.0511 608 CLA b C13 +56535 C C14 . CLA VF . ? 1.2546 1.1701 1.1876 -0.0946 -0.0700 -0.0547 608 CLA b C14 +56536 C C15 . CLA VF . ? 1.0073 0.9078 0.9280 -0.0926 -0.0643 -0.0502 608 CLA b C15 +56537 C C16 . CLA VF . ? 1.0680 0.9696 0.9923 -0.0944 -0.0604 -0.0485 608 CLA b C16 +56538 C C17 . CLA VF . ? 1.1290 1.0216 1.0459 -0.0932 -0.0572 -0.0459 608 CLA b C17 +56539 C C18 . CLA VF . ? 1.0850 0.9781 1.0049 -0.0949 -0.0533 -0.0442 608 CLA b C18 +56540 C C19 . CLA VF . ? 1.0183 0.9089 0.9396 -0.1005 -0.0517 -0.0460 608 CLA b C19 +56541 C C20 . CLA VF . ? 1.1425 1.0295 1.0563 -0.0917 -0.0507 -0.0410 608 CLA b C20 +56542 MG MG . CLA WF . ? 0.7916 0.8305 0.8200 -0.0665 -0.0912 -0.0607 609 CLA b MG +56543 C CHA . CLA WF . ? 0.8206 0.8572 0.8392 -0.0593 -0.1029 -0.0633 609 CLA b CHA +56544 C CHB . CLA WF . ? 0.8221 0.8438 0.8318 -0.0585 -0.0876 -0.0523 609 CLA b CHB +56545 C CHC . CLA WF . ? 0.8204 0.8570 0.8541 -0.0749 -0.0795 -0.0583 609 CLA b CHC +56546 C CHD . CLA WF . ? 0.7937 0.8486 0.8402 -0.0771 -0.0952 -0.0703 609 CLA b CHD +56547 N NA . CLA WF . ? 0.8485 0.8788 0.8646 -0.0602 -0.0944 -0.0581 609 CLA b NA +56548 C C1A . CLA WF . ? 0.8145 0.8453 0.8282 -0.0574 -0.0989 -0.0593 609 CLA b C1A +56549 C C2A . CLA WF . ? 0.6957 0.7206 0.7010 -0.0524 -0.0999 -0.0566 609 CLA b C2A +56550 C C3A . CLA WF . ? 0.8851 0.9058 0.8884 -0.0524 -0.0949 -0.0533 609 CLA b C3A +56551 C C4A . CLA WF . ? 0.7684 0.7929 0.7786 -0.0573 -0.0921 -0.0547 609 CLA b C4A +56552 C CMA . CLA WF . ? 0.6969 0.7218 0.7031 -0.0486 -0.0947 -0.0518 609 CLA b CMA +56553 C CAA . CLA WF . ? 0.6943 0.7111 0.6906 -0.0521 -0.1015 -0.0565 609 CLA b CAA +56554 C CBA . CLA WF . ? 0.6273 0.6378 0.6205 -0.0562 -0.0979 -0.0558 609 CLA b CBA +56555 C CGA . CLA WF . ? 0.6583 0.6608 0.6428 -0.0561 -0.0993 -0.0558 609 CLA b CGA +56556 O O1A . CLA WF . ? 0.8359 0.8379 0.8170 -0.0537 -0.1032 -0.0569 609 CLA b O1A +56557 O O2A . CLA WF . ? 0.7390 0.7342 0.7188 -0.0589 -0.0960 -0.0547 609 CLA b O2A +56558 N NB . CLA WF . ? 0.8700 0.9006 0.8928 -0.0666 -0.0847 -0.0560 609 CLA b NB +56559 C C1B . CLA WF . ? 0.7897 0.8138 0.8050 -0.0630 -0.0839 -0.0529 609 CLA b C1B +56560 C C2B . CLA WF . ? 0.9081 0.9274 0.9210 -0.0641 -0.0790 -0.0501 609 CLA b C2B +56561 C C3B . CLA WF . ? 0.8176 0.8410 0.8373 -0.0689 -0.0766 -0.0518 609 CLA b C3B +56562 C C4B . CLA WF . ? 0.7445 0.7750 0.7702 -0.0702 -0.0804 -0.0555 609 CLA b C4B +56563 C CMB . CLA WF . ? 0.7717 0.7838 0.7772 -0.0611 -0.0770 -0.0465 609 CLA b CMB +56564 C CAB . CLA WF . ? 0.6524 0.6732 0.6725 -0.0716 -0.0716 -0.0502 609 CLA b CAB +56565 C CBB . CLA WF . ? 0.9114 0.9382 0.9390 -0.0742 -0.0695 -0.0512 609 CLA b CBB +56566 N NC . CLA WF . ? 0.7859 0.8304 0.8239 -0.0743 -0.0880 -0.0636 609 CLA b NC +56567 C C1C . CLA WF . ? 0.7646 0.8074 0.8038 -0.0769 -0.0831 -0.0621 609 CLA b C1C +56568 C C2C . CLA WF . ? 0.7690 0.8167 0.8156 -0.0824 -0.0814 -0.0646 609 CLA b C2C +56569 C C3C . CLA WF . ? 0.8904 0.9437 0.9410 -0.0831 -0.0861 -0.0682 609 CLA b C3C +56570 C C4C . CLA WF . ? 0.8199 0.8705 0.8645 -0.0778 -0.0899 -0.0672 609 CLA b C4C +56571 C CMC . CLA WF . ? 0.7097 0.7568 0.7591 -0.0864 -0.0762 -0.0638 609 CLA b CMC +56572 C CAC . CLA WF . ? 0.8662 0.9264 0.9251 -0.0881 -0.0867 -0.0720 609 CLA b CAC +56573 C CBC . CLA WF . ? 0.8223 0.8937 0.8909 -0.0864 -0.0878 -0.0735 609 CLA b CBC +56574 N ND . CLA WF . ? 0.8598 0.9042 0.8918 -0.0682 -0.0973 -0.0656 609 CLA b ND +56575 C C1D . CLA WF . ? 0.7876 0.8387 0.8271 -0.0721 -0.0990 -0.0694 609 CLA b C1D +56576 C C2D . CLA WF . ? 0.8630 0.9170 0.9026 -0.0708 -0.1046 -0.0722 609 CLA b C2D +56577 C C3D . CLA WF . ? 0.8124 0.8602 0.8432 -0.0654 -0.1062 -0.0696 609 CLA b C3D +56578 C C4D . CLA WF . ? 0.8027 0.8454 0.8298 -0.0644 -0.1018 -0.0660 609 CLA b C4D +56579 C CMD . CLA WF . ? 0.8103 0.8711 0.8562 -0.0736 -0.1083 -0.0765 609 CLA b CMD +56580 C CAD . CLA WF . ? 0.9616 1.0062 0.9856 -0.0607 -0.1105 -0.0693 609 CLA b CAD +56581 O OBD . CLA WF . ? 0.8465 0.8943 0.8714 -0.0602 -0.1153 -0.0722 609 CLA b OBD +56582 C CBD . CLA WF . ? 0.6811 0.7188 0.6975 -0.0568 -0.1084 -0.0653 609 CLA b CBD +56583 C CGD . CLA WF . ? 0.6970 0.7405 0.7165 -0.0522 -0.1105 -0.0649 609 CLA b CGD +56584 O O1D . CLA WF . ? 0.8946 0.9345 0.9079 -0.0476 -0.1125 -0.0633 609 CLA b O1D +56585 O O2D . CLA WF . ? 0.8300 0.8833 0.8599 -0.0529 -0.1101 -0.0664 609 CLA b O2D +56586 C CED . CLA WF . ? 0.7162 0.7746 0.7486 -0.0482 -0.1123 -0.0661 609 CLA b CED +56587 C C1 . CLA WF . ? 0.7586 0.7455 0.7292 -0.0578 -0.0968 -0.0540 609 CLA b C1 +56588 C C2 . CLA WF . ? 0.8045 0.7843 0.7707 -0.0594 -0.0922 -0.0516 609 CLA b C2 +56589 C C3 . CLA WF . ? 0.7285 0.7015 0.6869 -0.0563 -0.0911 -0.0488 609 CLA b C3 +56590 C C4 . CLA WF . ? 0.6697 0.6421 0.6237 -0.0516 -0.0941 -0.0481 609 CLA b C4 +56591 C C5 . CLA WF . ? 0.8113 0.7775 0.7653 -0.0576 -0.0867 -0.0464 609 CLA b C5 +56592 C C6 . CLA WF . ? 0.6875 0.6528 0.6442 -0.0626 -0.0844 -0.0477 609 CLA b C6 +56593 C C7 . CLA WF . ? 0.7677 0.7246 0.7179 -0.0628 -0.0808 -0.0452 609 CLA b C7 +56594 C C8 . CLA WF . ? 0.7963 0.7507 0.7477 -0.0676 -0.0780 -0.0459 609 CLA b C8 +56595 C C9 . CLA WF . ? 0.9593 0.9129 0.9104 -0.0706 -0.0805 -0.0491 609 CLA b C9 +56596 C C10 . CLA WF . ? 0.7450 0.6911 0.6892 -0.0667 -0.0748 -0.0432 609 CLA b C10 +56597 C C11 . CLA WF . ? 0.9432 0.8853 0.8872 -0.0708 -0.0717 -0.0434 609 CLA b C11 +56598 C C12 . CLA WF . ? 0.7866 0.7199 0.7223 -0.0693 -0.0694 -0.0410 609 CLA b C12 +56599 C C13 . CLA WF . ? 0.9258 0.8534 0.8593 -0.0731 -0.0670 -0.0415 609 CLA b C13 +56600 C C14 . CLA WF . ? 0.8890 0.8084 0.8148 -0.0711 -0.0645 -0.0389 609 CLA b C14 +56601 C C15 . CLA WF . ? 0.9063 0.8378 0.8465 -0.0765 -0.0644 -0.0417 609 CLA b C15 +56602 C C16 . CLA WF . ? 0.9723 0.8986 0.9107 -0.0809 -0.0628 -0.0429 609 CLA b C16 +56603 C C17 . CLA WF . ? 1.1864 1.1165 1.1312 -0.0846 -0.0602 -0.0433 609 CLA b C17 +56604 C C18 . CLA WF . ? 1.1554 1.0798 1.0981 -0.0890 -0.0583 -0.0444 609 CLA b C18 +56605 C C19 . CLA WF . ? 1.0847 0.9997 1.0193 -0.0878 -0.0558 -0.0420 609 CLA b C19 +56606 C C20 . CLA WF . ? 1.0445 0.9733 0.9942 -0.0930 -0.0558 -0.0450 609 CLA b C20 +56607 MG MG . CLA XF . ? 0.7198 0.7249 0.7110 -0.0456 -0.0801 -0.0393 610 CLA b MG +56608 C CHA . CLA XF . ? 0.5985 0.6108 0.5999 -0.0452 -0.0732 -0.0363 610 CLA b CHA +56609 C CHB . CLA XF . ? 0.6417 0.6379 0.6307 -0.0548 -0.0725 -0.0387 610 CLA b CHB +56610 C CHC . CLA XF . ? 0.7132 0.7133 0.6962 -0.0463 -0.0876 -0.0435 610 CLA b CHC +56611 C CHD . CLA XF . ? 0.7183 0.7350 0.7143 -0.0359 -0.0887 -0.0409 610 CLA b CHD +56612 N NA . CLA XF . ? 0.7647 0.7696 0.7598 -0.0495 -0.0740 -0.0378 610 CLA b NA +56613 C C1A . CLA XF . ? 0.7165 0.7236 0.7145 -0.0488 -0.0716 -0.0365 610 CLA b C1A +56614 C C2A . CLA XF . ? 0.6252 0.6297 0.6234 -0.0518 -0.0671 -0.0352 610 CLA b C2A +56615 C C3A . CLA XF . ? 0.6293 0.6290 0.6239 -0.0548 -0.0671 -0.0361 610 CLA b C3A +56616 C C4A . CLA XF . ? 0.6680 0.6683 0.6608 -0.0529 -0.0715 -0.0376 610 CLA b C4A +56617 C CMA . CLA XF . ? 0.6903 0.6948 0.6916 -0.0591 -0.0663 -0.0385 610 CLA b CMA +56618 C CAA . CLA XF . ? 0.6834 0.6818 0.6756 -0.0494 -0.0649 -0.0319 610 CLA b CAA +56619 C CBA . CLA XF . ? 0.7181 0.7133 0.7097 -0.0519 -0.0606 -0.0304 610 CLA b CBA +56620 C CGA . CLA XF . ? 0.6795 0.6786 0.6752 -0.0507 -0.0588 -0.0294 610 CLA b CGA +56621 O O1A . CLA XF . ? 0.8934 0.8943 0.8892 -0.0473 -0.0603 -0.0287 610 CLA b O1A +56622 O O2A . CLA XF . ? 0.8575 0.8582 0.8570 -0.0533 -0.0554 -0.0292 610 CLA b O2A +56623 N NB . CLA XF . ? 0.7318 0.7310 0.7188 -0.0500 -0.0800 -0.0408 610 CLA b NB +56624 C C1B . CLA XF . ? 0.6733 0.6693 0.6599 -0.0536 -0.0767 -0.0404 610 CLA b C1B +56625 C C2B . CLA XF . ? 0.7468 0.7388 0.7302 -0.0563 -0.0776 -0.0420 610 CLA b C2B +56626 C C3B . CLA XF . ? 0.7808 0.7741 0.7624 -0.0538 -0.0822 -0.0435 610 CLA b C3B +56627 C C4B . CLA XF . ? 0.7366 0.7344 0.7207 -0.0499 -0.0833 -0.0425 610 CLA b C4B +56628 C CMB . CLA XF . ? 0.6948 0.6822 0.6765 -0.0604 -0.0748 -0.0421 610 CLA b CMB +56629 C CAB . CLA XF . ? 0.8283 0.8188 0.8063 -0.0549 -0.0851 -0.0455 610 CLA b CAB +56630 C CBB . CLA XF . ? 0.9124 0.8991 0.8840 -0.0517 -0.0877 -0.0451 610 CLA b CBB +56631 N NC . CLA XF . ? 0.7266 0.7348 0.7168 -0.0420 -0.0867 -0.0417 610 CLA b NC +56632 C C1C . CLA XF . ? 0.6705 0.6759 0.6569 -0.0428 -0.0892 -0.0431 610 CLA b C1C +56633 C C2C . CLA XF . ? 0.7258 0.7336 0.7114 -0.0396 -0.0940 -0.0446 610 CLA b C2C +56634 C C3C . CLA XF . ? 0.7966 0.8094 0.7861 -0.0364 -0.0943 -0.0438 610 CLA b C3C +56635 C C4C . CLA XF . ? 0.7644 0.7768 0.7564 -0.0383 -0.0896 -0.0420 610 CLA b C4C +56636 C CMC . CLA XF . ? 0.8186 0.8243 0.8001 -0.0394 -0.0978 -0.0465 610 CLA b CMC +56637 C CAC . CLA XF . ? 0.6843 0.7011 0.6747 -0.0322 -0.0983 -0.0446 610 CLA b CAC +56638 C CBC . CLA XF . ? 0.8726 0.8825 0.8540 -0.0282 -0.0992 -0.0422 610 CLA b CBC +56639 N ND . CLA XF . ? 0.6593 0.6722 0.6568 -0.0417 -0.0810 -0.0389 610 CLA b ND +56640 C C1D . CLA XF . ? 0.6920 0.7089 0.6909 -0.0378 -0.0843 -0.0394 610 CLA b C1D +56641 C C2D . CLA XF . ? 0.6979 0.7188 0.7008 -0.0358 -0.0829 -0.0384 610 CLA b C2D +56642 C C3D . CLA XF . ? 0.5857 0.6048 0.5898 -0.0390 -0.0783 -0.0372 610 CLA b C3D +56643 C C4D . CLA XF . ? 0.6591 0.6737 0.6599 -0.0421 -0.0776 -0.0375 610 CLA b C4D +56644 C CMD . CLA XF . ? 0.6624 0.6876 0.6676 -0.0316 -0.0852 -0.0384 610 CLA b CMD +56645 C CAD . CLA XF . ? 0.6622 0.6820 0.6691 -0.0401 -0.0743 -0.0357 610 CLA b CAD +56646 O OBD . CLA XF . ? 0.8136 0.8371 0.8238 -0.0379 -0.0738 -0.0351 610 CLA b OBD +56647 C CBD . CLA XF . ? 0.6933 0.7089 0.6986 -0.0440 -0.0710 -0.0352 610 CLA b CBD +56648 C CGD . CLA XF . ? 0.7928 0.8145 0.8059 -0.0474 -0.0692 -0.0370 610 CLA b CGD +56649 O O1D . CLA XF . ? 0.8473 0.8690 0.8621 -0.0485 -0.0658 -0.0357 610 CLA b O1D +56650 O O2D . CLA XF . ? 0.7680 0.7961 0.7872 -0.0494 -0.0716 -0.0402 610 CLA b O2D +56651 C CED . CLA XF . ? 0.8249 0.8575 0.8507 -0.0534 -0.0692 -0.0418 610 CLA b CED +56652 C C1 . CLA XF . ? 0.7480 0.7529 0.7514 -0.0515 -0.0544 -0.0285 610 CLA b C1 +56653 C C2 . CLA XF . ? 0.6292 0.6422 0.6410 -0.0532 -0.0547 -0.0310 610 CLA b C2 +56654 C C3 . CLA XF . ? 0.8713 0.8864 0.8868 -0.0552 -0.0515 -0.0308 610 CLA b C3 +56655 C C4 . CLA XF . ? 0.7680 0.7771 0.7789 -0.0554 -0.0480 -0.0281 610 CLA b C4 +56656 C C5 . CLA XF . ? 0.7677 0.7910 0.7917 -0.0570 -0.0513 -0.0332 610 CLA b C5 +56657 C C6 . CLA XF . ? 0.6917 0.7202 0.7199 -0.0541 -0.0512 -0.0329 610 CLA b C6 +56658 C C7 . CLA XF . ? 0.7767 0.8050 0.8023 -0.0494 -0.0543 -0.0321 610 CLA b C7 +56659 C C8 . CLA XF . ? 0.7780 0.8112 0.8066 -0.0484 -0.0586 -0.0346 610 CLA b C8 +56660 C C9 . CLA XF . ? 0.7392 0.7815 0.7770 -0.0495 -0.0589 -0.0371 610 CLA b C9 +56661 C C10 . CLA XF . ? 0.6845 0.7165 0.7096 -0.0435 -0.0616 -0.0336 610 CLA b C10 +56662 C C11 . CLA XF . ? 0.7258 0.7493 0.7421 -0.0422 -0.0616 -0.0311 610 CLA b C11 +56663 C C12 . CLA XF . ? 0.7308 0.7534 0.7437 -0.0381 -0.0653 -0.0309 610 CLA b C12 +56664 C C13 . CLA XF . ? 0.8095 0.8239 0.8139 -0.0365 -0.0646 -0.0282 610 CLA b C13 +56665 C C14 . CLA XF . ? 0.7181 0.7273 0.7192 -0.0399 -0.0622 -0.0275 610 CLA b C14 +56666 C C15 . CLA XF . ? 0.7992 0.8113 0.7990 -0.0336 -0.0683 -0.0282 610 CLA b C15 +56667 C C16 . CLA XF . ? 0.7293 0.7443 0.7300 -0.0294 -0.0708 -0.0281 610 CLA b C16 +56668 C C17 . CLA XF . ? 0.8086 0.8178 0.8015 -0.0263 -0.0728 -0.0266 610 CLA b C17 +56669 C C18 . CLA XF . ? 0.7498 0.7603 0.7419 -0.0254 -0.0769 -0.0286 610 CLA b C18 +56670 C C19 . CLA XF . ? 0.8582 0.8645 0.8437 -0.0213 -0.0792 -0.0272 610 CLA b C19 +56671 C C20 . CLA XF . ? 0.9095 0.9172 0.8995 -0.0287 -0.0768 -0.0296 610 CLA b C20 +56672 MG MG . CLA YF . ? 0.6730 0.6156 0.5971 -0.0227 -0.0606 -0.0089 611 CLA b MG +56673 C CHA . CLA YF . ? 0.5908 0.5260 0.5024 -0.0158 -0.0620 -0.0055 611 CLA b CHA +56674 C CHB . CLA YF . ? 0.6203 0.5736 0.5546 -0.0200 -0.0632 -0.0095 611 CLA b CHB +56675 C CHC . CLA YF . ? 0.6120 0.5599 0.5471 -0.0298 -0.0569 -0.0108 611 CLA b CHC +56676 C CHD . CLA YF . ? 0.6245 0.5548 0.5371 -0.0243 -0.0564 -0.0071 611 CLA b CHD +56677 N NA . CLA YF . ? 0.6550 0.5989 0.5781 -0.0187 -0.0624 -0.0076 611 CLA b NA +56678 C C1A . CLA YF . ? 0.5964 0.5371 0.5143 -0.0162 -0.0631 -0.0065 611 CLA b C1A +56679 C C2A . CLA YF . ? 0.6850 0.6274 0.6034 -0.0136 -0.0648 -0.0062 611 CLA b C2A +56680 C C3A . CLA YF . ? 0.7271 0.6755 0.6529 -0.0149 -0.0653 -0.0076 611 CLA b C3A +56681 C C4A . CLA YF . ? 0.7365 0.6850 0.6644 -0.0181 -0.0635 -0.0083 611 CLA b C4A +56682 C CMA . CLA YF . ? 0.6919 0.6437 0.6195 -0.0142 -0.0690 -0.0099 611 CLA b CMA +56683 C CAA . CLA YF . ? 0.6138 0.5538 0.5300 -0.0121 -0.0626 -0.0036 611 CLA b CAA +56684 C CBA . CLA YF . ? 0.5944 0.5355 0.5142 -0.0140 -0.0594 -0.0027 611 CLA b CBA +56685 C CGA . CLA YF . ? 0.7602 0.6987 0.6778 -0.0129 -0.0571 -0.0003 611 CLA b CGA +56686 O O1A . CLA YF . ? 0.7139 0.6517 0.6298 -0.0107 -0.0577 0.0007 611 CLA b O1A +56687 O O2A . CLA YF . ? 0.7686 0.7053 0.6860 -0.0144 -0.0540 0.0010 611 CLA b O2A +56688 N NB . CLA YF . ? 0.6451 0.5949 0.5787 -0.0247 -0.0601 -0.0100 611 CLA b NB +56689 C C1B . CLA YF . ? 0.6642 0.6182 0.6014 -0.0233 -0.0614 -0.0103 611 CLA b C1B +56690 C C2B . CLA YF . ? 0.6746 0.6339 0.6188 -0.0254 -0.0609 -0.0116 611 CLA b C2B +56691 C C3B . CLA YF . ? 0.6088 0.5661 0.5529 -0.0284 -0.0589 -0.0119 611 CLA b C3B +56692 C C4B . CLA YF . ? 0.6237 0.5752 0.5611 -0.0276 -0.0587 -0.0109 611 CLA b C4B +56693 C CMB . CLA YF . ? 0.7047 0.6695 0.6543 -0.0245 -0.0620 -0.0124 611 CLA b CMB +56694 C CAB . CLA YF . ? 0.6857 0.6457 0.6347 -0.0316 -0.0573 -0.0130 611 CLA b CAB +56695 C CBB . CLA YF . ? 0.6913 0.6568 0.6463 -0.0325 -0.0582 -0.0146 611 CLA b CBB +56696 N NC . CLA YF . ? 0.6453 0.5850 0.5692 -0.0263 -0.0575 -0.0089 611 CLA b NC +56697 C C1C . CLA YF . ? 0.6033 0.5455 0.5319 -0.0289 -0.0563 -0.0097 611 CLA b C1C +56698 C C2C . CLA YF . ? 0.6159 0.5546 0.5427 -0.0309 -0.0541 -0.0095 611 CLA b C2C +56699 C C3C . CLA YF . ? 0.6116 0.5452 0.5319 -0.0291 -0.0541 -0.0084 611 CLA b C3C +56700 C C4C . CLA YF . ? 0.6710 0.6058 0.5901 -0.0265 -0.0562 -0.0082 611 CLA b C4C +56701 C CMC . CLA YF . ? 0.6307 0.5705 0.5612 -0.0339 -0.0523 -0.0101 611 CLA b CMC +56702 C CAC . CLA YF . ? 0.6942 0.6228 0.6100 -0.0297 -0.0523 -0.0078 611 CLA b CAC +56703 C CBC . CLA YF . ? 0.7589 0.6864 0.6745 -0.0291 -0.0495 -0.0055 611 CLA b CBC +56704 N ND . CLA YF . ? 0.6024 0.5375 0.5174 -0.0208 -0.0593 -0.0068 611 CLA b ND +56705 C C1D . CLA YF . ? 0.6614 0.5919 0.5720 -0.0215 -0.0578 -0.0064 611 CLA b C1D +56706 C C2D . CLA YF . ? 0.7429 0.6690 0.6470 -0.0193 -0.0578 -0.0051 611 CLA b C2D +56707 C C3D . CLA YF . ? 0.6148 0.5429 0.5195 -0.0171 -0.0595 -0.0047 611 CLA b C3D +56708 C C4D . CLA YF . ? 0.5748 0.5079 0.4856 -0.0181 -0.0603 -0.0058 611 CLA b C4D +56709 C CMD . CLA YF . ? 0.7157 0.6366 0.6139 -0.0189 -0.0565 -0.0044 611 CLA b CMD +56710 C CAD . CLA YF . ? 0.5903 0.5169 0.4912 -0.0142 -0.0605 -0.0037 611 CLA b CAD +56711 O OBD . CLA YF . ? 0.7841 0.7063 0.6790 -0.0127 -0.0600 -0.0026 611 CLA b OBD +56712 C CBD . CLA YF . ? 0.6339 0.5646 0.5388 -0.0132 -0.0622 -0.0041 611 CLA b CBD +56713 C CGD . CLA YF . ? 0.7451 0.6759 0.6476 -0.0115 -0.0657 -0.0053 611 CLA b CGD +56714 O O1D . CLA YF . ? 0.7591 0.6910 0.6624 -0.0125 -0.0677 -0.0074 611 CLA b O1D +56715 O O2D . CLA YF . ? 0.7769 0.7063 0.6761 -0.0085 -0.0669 -0.0043 611 CLA b O2D +56716 C CED . CLA YF . ? 0.7450 0.6749 0.6423 -0.0068 -0.0705 -0.0057 611 CLA b CED +56717 C C1 . CLA YF . ? 0.6469 0.5819 0.5632 -0.0136 -0.0518 0.0030 611 CLA b C1 +56718 C C2 . CLA YF . ? 0.7559 0.6903 0.6734 -0.0156 -0.0490 0.0037 611 CLA b C2 +56719 C C3 . CLA YF . ? 0.7385 0.6721 0.6561 -0.0154 -0.0469 0.0054 611 CLA b C3 +56720 C C4 . CLA YF . ? 0.6736 0.6067 0.5901 -0.0134 -0.0470 0.0067 611 CLA b C4 +56721 C C5 . CLA YF . ? 0.7979 0.7309 0.7165 -0.0171 -0.0443 0.0061 611 CLA b C5 +56722 C C6 . CLA YF . ? 0.6768 0.6093 0.5955 -0.0189 -0.0441 0.0050 611 CLA b C6 +56723 C C7 . CLA YF . ? 0.7479 0.6810 0.6691 -0.0206 -0.0419 0.0054 611 CLA b C7 +56724 C C8 . CLA YF . ? 0.8657 0.7979 0.7868 -0.0225 -0.0415 0.0044 611 CLA b C8 +56725 C C9 . CLA YF . ? 1.0071 0.9354 0.9230 -0.0217 -0.0414 0.0047 611 CLA b C9 +56726 C C10 . CLA YF . ? 0.8626 0.7951 0.7859 -0.0240 -0.0392 0.0049 611 CLA b C10 +56727 C C11 . CLA YF . ? 0.8622 0.7983 0.7903 -0.0246 -0.0391 0.0046 611 CLA b C11 +56728 C C12 . CLA YF . ? 0.9627 0.9010 0.8943 -0.0268 -0.0394 0.0030 611 CLA b C12 +56729 C C13 . CLA YF . ? 0.8687 0.8101 0.8046 -0.0276 -0.0384 0.0030 611 CLA b C13 +56730 C C14 . CLA YF . ? 1.0302 0.9745 0.9683 -0.0261 -0.0398 0.0029 611 CLA b C14 +56731 C C15 . CLA YF . ? 0.8798 0.8228 0.8188 -0.0300 -0.0380 0.0016 611 CLA b C15 +56732 C C16 . CLA YF . ? 0.9268 0.8720 0.8674 -0.0307 -0.0401 -0.0003 611 CLA b C16 +56733 C C17 . CLA YF . ? 0.9381 0.8866 0.8835 -0.0329 -0.0397 -0.0017 611 CLA b C17 +56734 C C18 . CLA YF . ? 0.9893 0.9365 0.9343 -0.0353 -0.0395 -0.0029 611 CLA b C18 +56735 C C19 . CLA YF . ? 0.8709 0.8177 0.8143 -0.0350 -0.0419 -0.0043 611 CLA b C19 +56736 C C20 . CLA YF . ? 1.0700 1.0127 1.0115 -0.0359 -0.0374 -0.0017 611 CLA b C20 +56737 MG MG . CLA ZF . ? 0.7194 0.6970 0.6814 -0.0223 -0.0646 -0.0146 612 CLA b MG +56738 C CHA . CLA ZF . ? 0.6129 0.5977 0.5855 -0.0307 -0.0634 -0.0193 612 CLA b CHA +56739 C CHB . CLA ZF . ? 0.6123 0.5868 0.5758 -0.0252 -0.0565 -0.0110 612 CLA b CHB +56740 C CHC . CLA ZF . ? 0.6172 0.5841 0.5656 -0.0156 -0.0649 -0.0097 612 CLA b CHC +56741 C CHD . CLA ZF . ? 0.7109 0.6900 0.6692 -0.0196 -0.0736 -0.0187 612 CLA b CHD +56742 N NA . CLA ZF . ? 0.7068 0.6859 0.6737 -0.0270 -0.0606 -0.0149 612 CLA b NA +56743 C C1A . CLA ZF . ? 0.6418 0.6238 0.6127 -0.0299 -0.0605 -0.0168 612 CLA b C1A +56744 C C2A . CLA ZF . ? 0.6598 0.6425 0.6337 -0.0326 -0.0571 -0.0165 612 CLA b C2A +56745 C C3A . CLA ZF . ? 0.6959 0.6752 0.6666 -0.0308 -0.0551 -0.0138 612 CLA b C3A +56746 C C4A . CLA ZF . ? 0.6602 0.6377 0.6270 -0.0274 -0.0576 -0.0132 612 CLA b C4A +56747 C CMA . CLA ZF . ? 0.5395 0.5131 0.5056 -0.0324 -0.0529 -0.0125 612 CLA b CMA +56748 C CAA . CLA ZF . ? 0.6463 0.6359 0.6276 -0.0333 -0.0572 -0.0181 612 CLA b CAA +56749 C CBA . CLA ZF . ? 0.6676 0.6600 0.6504 -0.0300 -0.0585 -0.0177 612 CLA b CBA +56750 C CGA . CLA ZF . ? 0.6963 0.6959 0.6867 -0.0306 -0.0586 -0.0195 612 CLA b CGA +56751 O O1A . CLA ZF . ? 0.7639 0.7682 0.7579 -0.0300 -0.0612 -0.0215 612 CLA b O1A +56752 O O2A . CLA ZF . ? 0.6825 0.6836 0.6762 -0.0320 -0.0555 -0.0190 612 CLA b O2A +56753 N NB . CLA ZF . ? 0.6748 0.6466 0.6318 -0.0207 -0.0612 -0.0109 612 CLA b NB +56754 C C1B . CLA ZF . ? 0.6750 0.6468 0.6339 -0.0220 -0.0582 -0.0098 612 CLA b C1B +56755 C C2B . CLA ZF . ? 0.6709 0.6393 0.6264 -0.0200 -0.0567 -0.0074 612 CLA b C2B +56756 C C3B . CLA ZF . ? 0.6053 0.5713 0.5563 -0.0173 -0.0591 -0.0070 612 CLA b C3B +56757 C C4B . CLA ZF . ? 0.6470 0.6154 0.5993 -0.0179 -0.0618 -0.0093 612 CLA b C4B +56758 C CMB . CLA ZF . ? 0.5904 0.5578 0.5466 -0.0208 -0.0536 -0.0058 612 CLA b CMB +56759 C CAB . CLA ZF . ? 0.6517 0.6138 0.5977 -0.0145 -0.0591 -0.0050 612 CLA b CAB +56760 C CBB . CLA ZF . ? 0.6821 0.6429 0.6278 -0.0138 -0.0571 -0.0033 612 CLA b CBB +56761 N NC . CLA ZF . ? 0.7047 0.6784 0.6595 -0.0184 -0.0684 -0.0142 612 CLA b NC +56762 C C1C . CLA ZF . ? 0.6778 0.6472 0.6273 -0.0158 -0.0679 -0.0121 612 CLA b C1C +56763 C C2C . CLA ZF . ? 0.6632 0.6302 0.6077 -0.0132 -0.0709 -0.0122 612 CLA b C2C +56764 C C3C . CLA ZF . ? 0.7438 0.7144 0.6912 -0.0144 -0.0736 -0.0149 612 CLA b C3C +56765 C C4C . CLA ZF . ? 0.6905 0.6652 0.6444 -0.0176 -0.0717 -0.0159 612 CLA b C4C +56766 C CMC . CLA ZF . ? 0.6620 0.6239 0.5999 -0.0102 -0.0712 -0.0102 612 CLA b CMC +56767 C CAC . CLA ZF . ? 0.7554 0.7257 0.6999 -0.0126 -0.0775 -0.0163 612 CLA b CAC +56768 C CBC . CLA ZF . ? 0.6732 0.6388 0.6126 -0.0140 -0.0774 -0.0164 612 CLA b CBC +56769 N ND . CLA ZF . ? 0.8462 0.8271 0.8108 -0.0244 -0.0678 -0.0180 612 CLA b ND +56770 C C1D . CLA ZF . ? 0.6419 0.6239 0.6054 -0.0233 -0.0715 -0.0197 612 CLA b C1D +56771 C C2D . CLA ZF . ? 0.7548 0.7405 0.7225 -0.0260 -0.0729 -0.0225 612 CLA b C2D +56772 C C3D . CLA ZF . ? 0.6373 0.6242 0.6088 -0.0292 -0.0694 -0.0222 612 CLA b C3D +56773 C C4D . CLA ZF . ? 0.6169 0.6009 0.5863 -0.0279 -0.0668 -0.0197 612 CLA b C4D +56774 C CMD . CLA ZF . ? 0.7278 0.7158 0.6961 -0.0260 -0.0766 -0.0250 612 CLA b CMD +56775 C CAD . CLA ZF . ? 0.7615 0.7512 0.7381 -0.0331 -0.0676 -0.0237 612 CLA b CAD +56776 O OBD . CLA ZF . ? 0.7043 0.6969 0.6839 -0.0352 -0.0693 -0.0261 612 CLA b OBD +56777 C CBD . CLA ZF . ? 0.6276 0.6158 0.6048 -0.0342 -0.0637 -0.0218 612 CLA b CBD +56778 C CGD . CLA ZF . ? 0.6965 0.6807 0.6715 -0.0374 -0.0613 -0.0215 612 CLA b CGD +56779 O O1D . CLA ZF . ? 0.7311 0.7171 0.7099 -0.0403 -0.0592 -0.0221 612 CLA b O1D +56780 O O2D . CLA ZF . ? 0.7468 0.7245 0.7149 -0.0370 -0.0614 -0.0204 612 CLA b O2D +56781 C CED . CLA ZF . ? 0.9434 0.9173 0.9095 -0.0399 -0.0593 -0.0203 612 CLA b CED +56782 C C1 . CLA ZF . ? 0.7681 0.7758 0.7690 -0.0336 -0.0552 -0.0210 612 CLA b C1 +56783 C C2 . CLA ZF . ? 0.7194 0.7269 0.7214 -0.0376 -0.0543 -0.0223 612 CLA b C2 +56784 C C3 . CLA ZF . ? 0.7489 0.7559 0.7523 -0.0405 -0.0510 -0.0220 612 CLA b C3 +56785 C C4 . CLA ZF . ? 0.7842 0.7913 0.7886 -0.0397 -0.0483 -0.0205 612 CLA b C4 +56786 C C5 . CLA ZF . ? 0.7391 0.7452 0.7430 -0.0444 -0.0502 -0.0232 612 CLA b C5 +56787 C C6 . CLA ZF . ? 0.8279 0.8266 0.8258 -0.0457 -0.0477 -0.0212 612 CLA b C6 +56788 C C7 . CLA ZF . ? 0.7132 0.7065 0.7044 -0.0430 -0.0491 -0.0195 612 CLA b C7 +56789 C C8 . CLA ZF . ? 0.7714 0.7580 0.7571 -0.0441 -0.0466 -0.0175 612 CLA b C8 +56790 C C9 . CLA ZF . ? 0.9084 0.8899 0.8877 -0.0417 -0.0481 -0.0161 612 CLA b C9 +56791 C C10 . CLA ZF . ? 0.7000 0.6860 0.6861 -0.0437 -0.0438 -0.0159 612 CLA b C10 +56792 C C11 . CLA ZF . ? 0.6806 0.6610 0.6627 -0.0456 -0.0410 -0.0144 612 CLA b C11 +56793 C C12 . CLA ZF . ? 0.7522 0.7338 0.7372 -0.0494 -0.0393 -0.0159 612 CLA b C12 +56794 C C13 . CLA ZF . ? 0.8306 0.8058 0.8105 -0.0512 -0.0379 -0.0150 612 CLA b C13 +56795 C C14 . CLA ZF . ? 0.7626 0.7336 0.7389 -0.0504 -0.0354 -0.0126 612 CLA b C14 +56796 C C15 . CLA ZF . ? 0.7572 0.7331 0.7395 -0.0552 -0.0367 -0.0167 612 CLA b C15 +56797 C C16 . CLA ZF . ? 0.7693 0.7499 0.7558 -0.0563 -0.0392 -0.0193 612 CLA b C16 +56798 C C17 . CLA ZF . ? 0.7716 0.7488 0.7537 -0.0554 -0.0417 -0.0196 612 CLA b C17 +56799 C C18 . CLA ZF . ? 0.9795 0.9609 0.9655 -0.0571 -0.0441 -0.0223 612 CLA b C18 +56800 C C19 . CLA ZF . ? 0.8889 0.8773 0.8802 -0.0552 -0.0462 -0.0235 612 CLA b C19 +56801 C C20 . CLA ZF . ? 0.8324 0.8096 0.8135 -0.0568 -0.0463 -0.0227 612 CLA b C20 +56802 MG MG . CLA AG . ? 0.6083 0.5699 0.5662 -0.0334 -0.0438 -0.0060 613 CLA b MG +56803 C CHA . CLA AG . ? 0.6197 0.5755 0.5682 -0.0268 -0.0458 -0.0027 613 CLA b CHA +56804 C CHB . CLA AG . ? 0.5874 0.5479 0.5418 -0.0339 -0.0491 -0.0093 613 CLA b CHB +56805 C CHC . CLA AG . ? 0.6187 0.5822 0.5825 -0.0407 -0.0402 -0.0085 613 CLA b CHC +56806 C CHD . CLA AG . ? 0.5874 0.5470 0.5456 -0.0329 -0.0379 -0.0022 613 CLA b CHD +56807 N NA . CLA AG . ? 0.6952 0.6539 0.6476 -0.0307 -0.0469 -0.0059 613 CLA b NA +56808 C C1A . CLA AG . ? 0.6947 0.6516 0.6439 -0.0281 -0.0476 -0.0046 613 CLA b C1A +56809 C C2A . CLA AG . ? 0.6489 0.6043 0.5946 -0.0266 -0.0501 -0.0051 613 CLA b C2A +56810 C C3A . CLA AG . ? 0.5965 0.5534 0.5441 -0.0289 -0.0512 -0.0073 613 CLA b C3A +56811 C C4A . CLA AG . ? 0.6454 0.6043 0.5972 -0.0313 -0.0489 -0.0075 613 CLA b C4A +56812 C CMA . CLA AG . ? 0.5926 0.5446 0.5352 -0.0296 -0.0507 -0.0070 613 CLA b CMA +56813 C CAA . CLA AG . ? 0.6474 0.6055 0.5944 -0.0241 -0.0523 -0.0054 613 CLA b CAA +56814 C CBA . CLA AG . ? 0.5790 0.5362 0.5229 -0.0226 -0.0552 -0.0063 613 CLA b CBA +56815 C CGA . CLA AG . ? 0.6430 0.5948 0.5804 -0.0210 -0.0548 -0.0045 613 CLA b CGA +56816 O O1A . CLA AG . ? 0.6772 0.6276 0.6120 -0.0186 -0.0554 -0.0034 613 CLA b O1A +56817 O O2A . CLA AG . ? 0.7907 0.7386 0.7245 -0.0223 -0.0537 -0.0043 613 CLA b O2A +56818 N NB . CLA AG . ? 0.6172 0.5793 0.5763 -0.0368 -0.0446 -0.0085 613 CLA b NB +56819 C C1B . CLA AG . ? 0.5951 0.5573 0.5532 -0.0367 -0.0469 -0.0098 613 CLA b C1B +56820 C C2B . CLA AG . ? 0.6795 0.6432 0.6402 -0.0397 -0.0472 -0.0119 613 CLA b C2B +56821 C C3B . CLA AG . ? 0.6446 0.6092 0.6082 -0.0418 -0.0444 -0.0116 613 CLA b C3B +56822 C C4B . CLA AG . ? 0.6058 0.5692 0.5679 -0.0396 -0.0430 -0.0094 613 CLA b C4B +56823 C CMB . CLA AG . ? 0.6598 0.6241 0.6203 -0.0404 -0.0498 -0.0139 613 CLA b CMB +56824 C CAB . CLA AG . ? 0.6875 0.6534 0.6543 -0.0452 -0.0429 -0.0129 613 CLA b CAB +56825 C CBB . CLA AG . ? 0.6666 0.6336 0.6347 -0.0473 -0.0442 -0.0149 613 CLA b CBB +56826 N NC . CLA AG . ? 0.6126 0.5742 0.5729 -0.0360 -0.0399 -0.0054 613 CLA b NC +56827 C C1C . CLA AG . ? 0.7116 0.6742 0.6744 -0.0388 -0.0389 -0.0065 613 CLA b C1C +56828 C C2C . CLA AG . ? 0.6117 0.5741 0.5757 -0.0402 -0.0361 -0.0058 613 CLA b C2C +56829 C C3C . CLA AG . ? 0.6265 0.5878 0.5889 -0.0378 -0.0356 -0.0040 613 CLA b C3C +56830 C C4C . CLA AG . ? 0.6488 0.6097 0.6091 -0.0355 -0.0380 -0.0039 613 CLA b C4C +56831 C CMC . CLA AG . ? 0.7025 0.6654 0.6688 -0.0433 -0.0342 -0.0067 613 CLA b CMC +56832 C CAC . CLA AG . ? 0.7060 0.6666 0.6686 -0.0377 -0.0332 -0.0026 613 CLA b CAC +56833 C CBC . CLA AG . ? 0.6103 0.5660 0.5685 -0.0382 -0.0317 -0.0012 613 CLA b CBC +56834 N ND . CLA AG . ? 0.6969 0.6556 0.6516 -0.0308 -0.0421 -0.0032 613 CLA b ND +56835 C C1D . CLA AG . ? 0.6157 0.5740 0.5710 -0.0307 -0.0399 -0.0018 613 CLA b C1D +56836 C C2D . CLA AG . ? 0.6572 0.6138 0.6100 -0.0283 -0.0399 -0.0001 613 CLA b C2D +56837 C C3D . CLA AG . ? 0.6025 0.5581 0.5526 -0.0268 -0.0422 -0.0004 613 CLA b C3D +56838 C C4D . CLA AG . ? 0.6156 0.5725 0.5670 -0.0282 -0.0434 -0.0022 613 CLA b C4D +56839 C CMD . CLA AG . ? 0.6144 0.5700 0.5668 -0.0275 -0.0381 0.0015 613 CLA b CMD +56840 C CAD . CLA AG . ? 0.6442 0.5977 0.5905 -0.0243 -0.0437 0.0004 613 CLA b CAD +56841 O OBD . CLA AG . ? 0.6621 0.6139 0.6065 -0.0227 -0.0430 0.0020 613 CLA b OBD +56842 C CBD . CLA AG . ? 0.6491 0.6027 0.5943 -0.0242 -0.0460 -0.0010 613 CLA b CBD +56843 C CGD . CLA AG . ? 0.5933 0.5425 0.5328 -0.0231 -0.0463 0.0000 613 CLA b CGD +56844 O O1D . CLA AG . ? 0.6731 0.6197 0.6103 -0.0243 -0.0456 0.0000 613 CLA b O1D +56845 O O2D . CLA AG . ? 0.6818 0.6296 0.6184 -0.0205 -0.0474 0.0010 613 CLA b O2D +56846 C CED . CLA AG . ? 0.6571 0.6005 0.5884 -0.0195 -0.0468 0.0024 613 CLA b CED +56847 C C1 . CLA AG . ? 0.7054 0.6487 0.6337 -0.0208 -0.0527 -0.0024 613 CLA b C1 +56848 C C2 . CLA AG . ? 0.7445 0.6852 0.6718 -0.0225 -0.0499 -0.0014 613 CLA b C2 +56849 C C3 . CLA AG . ? 0.7737 0.7125 0.6994 -0.0240 -0.0498 -0.0023 613 CLA b C3 +56850 C C4 . CLA AG . ? 0.7101 0.6494 0.6351 -0.0242 -0.0525 -0.0043 613 CLA b C4 +56851 C C5 . CLA AG . ? 0.8884 0.8244 0.8128 -0.0254 -0.0472 -0.0014 613 CLA b C5 +56852 C C6 . CLA AG . ? 1.0007 0.9381 0.9283 -0.0282 -0.0465 -0.0027 613 CLA b C6 +56853 C C7 . CLA AG . ? 0.9244 0.8582 0.8497 -0.0292 -0.0441 -0.0018 613 CLA b C7 +56854 C C8 . CLA AG . ? 1.1133 1.0486 1.0423 -0.0317 -0.0427 -0.0024 613 CLA b C8 +56855 C C9 . CLA AG . ? 0.8374 0.7741 0.7684 -0.0338 -0.0441 -0.0046 613 CLA b C9 +56856 C C10 . CLA AG . ? 0.9529 0.8844 0.8793 -0.0324 -0.0403 -0.0012 613 CLA b C10 +56857 C C11 . CLA AG . ? 1.0243 0.9540 0.9481 -0.0303 -0.0391 0.0008 613 CLA b C11 +56858 C C12 . CLA AG . ? 1.2426 1.1684 1.1632 -0.0307 -0.0372 0.0016 613 CLA b C12 +56859 C C13 . CLA AG . ? 1.1737 1.0985 1.0931 -0.0292 -0.0356 0.0035 613 CLA b C13 +56860 C C14 . CLA AG . ? 1.0878 1.0121 1.0046 -0.0269 -0.0364 0.0044 613 CLA b C14 +56861 C C15 . CLA AG . ? 1.1506 1.0784 1.0739 -0.0297 -0.0347 0.0041 613 CLA b C15 +56862 C C16 . CLA AG . ? 1.4231 1.3499 1.3453 -0.0283 -0.0331 0.0059 613 CLA b C16 +56863 C C17 . CLA AG . ? 1.2655 1.1950 1.1914 -0.0288 -0.0322 0.0064 613 CLA b C17 +56864 C C18 . CLA AG . ? 1.2455 1.1738 1.1702 -0.0279 -0.0305 0.0080 613 CLA b C18 +56865 C C19 . CLA AG . ? 1.1595 1.0903 1.0876 -0.0281 -0.0298 0.0085 613 CLA b C19 +56866 C C20 . CLA AG . ? 1.1660 1.0914 1.0885 -0.0286 -0.0293 0.0082 613 CLA b C20 +56867 MG MG . CLA BG . ? 0.6669 0.6134 0.5989 -0.0110 -0.0510 0.0042 614 CLA b MG +56868 C CHA . CLA BG . ? 0.6524 0.5930 0.5753 -0.0045 -0.0541 0.0063 614 CLA b CHA +56869 C CHB . CLA BG . ? 0.6028 0.5600 0.5459 -0.0097 -0.0546 0.0007 614 CLA b CHB +56870 C CHC . CLA BG . ? 0.6210 0.5711 0.5607 -0.0170 -0.0465 0.0033 614 CLA b CHC +56871 C CHD . CLA BG . ? 0.6141 0.5501 0.5355 -0.0116 -0.0461 0.0084 614 CLA b CHD +56872 N NA . CLA BG . ? 0.7245 0.6731 0.6575 -0.0077 -0.0539 0.0036 614 CLA b NA +56873 C C1A . CLA BG . ? 0.6535 0.5995 0.5825 -0.0052 -0.0552 0.0044 614 CLA b C1A +56874 C C2A . CLA BG . ? 0.7469 0.6955 0.6778 -0.0030 -0.0577 0.0034 614 CLA b C2A +56875 C C3A . CLA BG . ? 0.6956 0.6499 0.6332 -0.0047 -0.0579 0.0015 614 CLA b C3A +56876 C C4A . CLA BG . ? 0.6616 0.6150 0.5996 -0.0076 -0.0553 0.0020 614 CLA b C4A +56877 C CMA . CLA BG . ? 0.7342 0.6907 0.6724 -0.0044 -0.0609 -0.0004 614 CLA b CMA +56878 C CAA . CLA BG . ? 0.6771 0.6244 0.6077 -0.0015 -0.0567 0.0048 614 CLA b CAA +56879 C CBA . CLA BG . ? 0.7831 0.7313 0.7168 -0.0033 -0.0539 0.0055 614 CLA b CBA +56880 C CGA . CLA BG . ? 0.7682 0.7120 0.6982 -0.0044 -0.0513 0.0074 614 CLA b CGA +56881 O O1A . CLA BG . ? 0.8567 0.7963 0.7818 -0.0032 -0.0510 0.0089 614 CLA b O1A +56882 O O2A . CLA BG . ? 0.8326 0.7773 0.7647 -0.0071 -0.0491 0.0074 614 CLA b O2A +56883 N NB . CLA BG . ? 0.6051 0.5579 0.5454 -0.0132 -0.0505 0.0023 614 CLA b NB +56884 C C1B . CLA BG . ? 0.6617 0.6187 0.6060 -0.0126 -0.0522 0.0009 614 CLA b C1B +56885 C C2B . CLA BG . ? 0.6375 0.5987 0.5875 -0.0148 -0.0512 -0.0005 614 CLA b C2B +56886 C C3B . CLA BG . ? 0.5890 0.5476 0.5375 -0.0170 -0.0488 0.0004 614 CLA b C3B +56887 C C4B . CLA BG . ? 0.6222 0.5759 0.5648 -0.0157 -0.0486 0.0021 614 CLA b C4B +56888 C CMB . CLA BG . ? 0.6530 0.6197 0.6087 -0.0148 -0.0523 -0.0023 614 CLA b CMB +56889 C CAB . CLA BG . ? 0.6952 0.6552 0.6468 -0.0197 -0.0468 -0.0001 614 CLA b CAB +56890 C CBB . CLA BG . ? 0.6284 0.5920 0.5841 -0.0214 -0.0472 -0.0019 614 CLA b CBB +56891 N NC . CLA BG . ? 0.6811 0.6248 0.6119 -0.0136 -0.0473 0.0056 614 CLA b NC +56892 C C1C . CLA BG . ? 0.6264 0.5720 0.5607 -0.0158 -0.0459 0.0049 614 CLA b C1C +56893 C C2C . CLA BG . ? 0.6918 0.6347 0.6241 -0.0171 -0.0436 0.0060 614 CLA b C2C +56894 C C3C . CLA BG . ? 0.6755 0.6147 0.6028 -0.0155 -0.0436 0.0075 614 CLA b C3C +56895 C C4C . CLA BG . ? 0.6228 0.5626 0.5494 -0.0135 -0.0458 0.0071 614 CLA b C4C +56896 C CMC . CLA BG . ? 0.6782 0.6218 0.6127 -0.0194 -0.0418 0.0058 614 CLA b CMC +56897 C CAC . CLA BG . ? 0.7533 0.6890 0.6770 -0.0158 -0.0416 0.0089 614 CLA b CAC +56898 C CBC . CLA BG . ? 0.6946 0.6302 0.6194 -0.0156 -0.0399 0.0103 614 CLA b CBC +56899 N ND . CLA BG . ? 0.5940 0.5340 0.5184 -0.0090 -0.0501 0.0067 614 CLA b ND +56900 C C1D . CLA BG . ? 0.6925 0.6286 0.6129 -0.0094 -0.0481 0.0083 614 CLA b C1D +56901 C C2D . CLA BG . ? 0.6192 0.5513 0.5344 -0.0074 -0.0482 0.0097 614 CLA b C2D +56902 C C3D . CLA BG . ? 0.6996 0.6333 0.6157 -0.0055 -0.0507 0.0090 614 CLA b C3D +56903 C C4D . CLA BG . ? 0.5902 0.5286 0.5117 -0.0065 -0.0516 0.0073 614 CLA b C4D +56904 C CMD . CLA BG . ? 0.7680 0.6957 0.6782 -0.0071 -0.0465 0.0115 614 CLA b CMD +56905 C CAD . CLA BG . ? 0.6863 0.6185 0.5996 -0.0028 -0.0525 0.0093 614 CLA b CAD +56906 O OBD . CLA BG . ? 0.7147 0.6426 0.6229 -0.0015 -0.0521 0.0108 614 CLA b OBD +56907 C CBD . CLA BG . ? 0.7684 0.7049 0.6860 -0.0020 -0.0549 0.0077 614 CLA b CBD +56908 C CGD . CLA BG . ? 0.7303 0.6663 0.6450 0.0000 -0.0579 0.0067 614 CLA b CGD +56909 O O1D . CLA BG . ? 0.9220 0.8607 0.8389 0.0015 -0.0603 0.0055 614 CLA b O1D +56910 O O2D . CLA BG . ? 0.8063 0.7385 0.7154 0.0004 -0.0583 0.0071 614 CLA b O2D +56911 C CED . CLA BG . ? 0.7571 0.6877 0.6624 0.0028 -0.0612 0.0067 614 CLA b CED +56912 C C1 . CLA BG . ? 0.9181 0.8592 0.8471 -0.0080 -0.0468 0.0091 614 CLA b C1 +56913 C C2 . CLA BG . ? 1.0806 1.0231 1.0131 -0.0097 -0.0446 0.0094 614 CLA b C2 +56914 C C3 . CLA BG . ? 0.9293 0.8723 0.8630 -0.0118 -0.0431 0.0092 614 CLA b C3 +56915 C C4 . CLA BG . ? 1.0425 0.9845 0.9742 -0.0126 -0.0435 0.0088 614 CLA b C4 +56916 C C5 . CLA BG . ? 1.0167 0.9609 0.9534 -0.0134 -0.0409 0.0095 614 CLA b C5 +56917 C C6 . CLA BG . ? 1.1371 1.0813 1.0742 -0.0156 -0.0396 0.0093 614 CLA b C6 +56918 C C7 . CLA BG . ? 1.2095 1.1538 1.1482 -0.0169 -0.0374 0.0100 614 CLA b C7 +56919 C C8 . CLA BG . ? 1.0266 0.9708 0.9657 -0.0189 -0.0362 0.0097 614 CLA b C8 +56920 C C9 . CLA BG . ? 1.2004 1.1415 1.1355 -0.0188 -0.0361 0.0104 614 CLA b C9 +56921 C C10 . CLA BG . ? 1.2653 1.2095 1.2058 -0.0201 -0.0341 0.0103 614 CLA b C10 +56922 C C11 . CLA BG . ? 1.4311 1.3777 1.3749 -0.0198 -0.0341 0.0099 614 CLA b C11 +56923 C C12 . CLA BG . ? 1.5218 1.4708 1.4690 -0.0216 -0.0332 0.0089 614 CLA b C12 +56924 C C13 . CLA BG . ? 1.3380 1.2879 1.2871 -0.0217 -0.0319 0.0093 614 CLA b C13 +56925 C C14 . CLA BG . ? 0.9470 0.9004 0.9002 -0.0226 -0.0318 0.0078 614 CLA b C14 +56926 C C15 . CLA BG . ? 1.3089 1.2563 1.2562 -0.0227 -0.0301 0.0104 614 CLA b C15 +56927 C C16 . CLA BG . ? 1.3661 1.3120 1.3115 -0.0238 -0.0297 0.0105 614 CLA b C16 +56928 C C17 . CLA BG . ? 1.4160 1.3596 1.3595 -0.0242 -0.0281 0.0117 614 CLA b C17 +56929 C C18 . CLA BG . ? 1.2888 1.2313 1.2314 -0.0255 -0.0273 0.0116 614 CLA b C18 +56930 C C19 . CLA BG . ? 1.2165 1.1566 1.1559 -0.0250 -0.0274 0.0123 614 CLA b C19 +56931 C C20 . CLA BG . ? 1.1887 1.1308 1.1318 -0.0264 -0.0257 0.0120 614 CLA b C20 +56932 MG MG . CLA CG . ? 0.7216 0.7688 0.7518 -0.0241 -0.0759 -0.0355 615 CLA b MG +56933 C CHA . CLA CG . ? 0.6551 0.6837 0.6696 -0.0248 -0.0689 -0.0284 615 CLA b CHA +56934 C CHB . CLA CG . ? 0.7227 0.7779 0.7656 -0.0305 -0.0672 -0.0362 615 CLA b CHB +56935 C CHC . CLA CG . ? 0.6996 0.7667 0.7460 -0.0207 -0.0831 -0.0421 615 CLA b CHC +56936 C CHD . CLA CG . ? 0.6906 0.7271 0.7045 -0.0152 -0.0842 -0.0334 615 CLA b CHD +56937 N NA . CLA CG . ? 0.7285 0.7711 0.7573 -0.0269 -0.0694 -0.0327 615 CLA b NA +56938 C C1A . CLA CG . ? 0.6370 0.6723 0.6595 -0.0275 -0.0672 -0.0302 615 CLA b C1A +56939 C C2A . CLA CG . ? 0.6895 0.7233 0.7129 -0.0303 -0.0627 -0.0291 615 CLA b C2A +56940 C C3A . CLA CG . ? 0.8005 0.8427 0.8328 -0.0321 -0.0622 -0.0316 615 CLA b C3A +56941 C C4A . CLA CG . ? 0.7433 0.7902 0.7781 -0.0297 -0.0666 -0.0336 615 CLA b C4A +56942 C CMA . CLA CG . ? 0.6969 0.7415 0.7321 -0.0307 -0.0599 -0.0308 615 CLA b CMA +56943 C CAA . CLA CG . ? 0.6650 0.6931 0.6843 -0.0337 -0.0606 -0.0282 615 CLA b CAA +56944 C CBA . CLA CG . ? 0.6468 0.6756 0.6690 -0.0370 -0.0564 -0.0279 615 CLA b CBA +56945 C CGA . CLA CG . ? 0.5997 0.6256 0.6197 -0.0355 -0.0537 -0.0255 615 CLA b CGA +56946 O O1A . CLA CG . ? 0.6931 0.7161 0.7093 -0.0322 -0.0545 -0.0238 615 CLA b O1A +56947 O O2A . CLA CG . ? 0.7109 0.7371 0.7332 -0.0382 -0.0498 -0.0251 615 CLA b O2A +56948 N NB . CLA CG . ? 0.7138 0.7732 0.7568 -0.0256 -0.0751 -0.0386 615 CLA b NB +56949 C C1B . CLA CG . ? 0.7207 0.7824 0.7680 -0.0283 -0.0713 -0.0387 615 CLA b C1B +56950 C C2B . CLA CG . ? 0.7079 0.7792 0.7646 -0.0288 -0.0716 -0.0413 615 CLA b C2B +56951 C C3B . CLA CG . ? 0.7096 0.7846 0.7675 -0.0258 -0.0765 -0.0431 615 CLA b C3B +56952 C C4B . CLA CG . ? 0.6745 0.7413 0.7233 -0.0240 -0.0783 -0.0412 615 CLA b C4B +56953 C CMB . CLA CG . ? 0.7371 0.8134 0.8005 -0.0315 -0.0679 -0.0421 615 CLA b CMB +56954 C CAB . CLA CG . ? 0.7735 0.8584 0.8401 -0.0248 -0.0789 -0.0462 615 CLA b CAB +56955 C CBB . CLA CG . ? 0.9629 1.0504 1.0297 -0.0204 -0.0828 -0.0469 615 CLA b CBB +56956 N NC . CLA CG . ? 0.8013 0.8519 0.8312 -0.0190 -0.0824 -0.0373 615 CLA b NC +56957 C C1C . CLA CG . ? 0.6579 0.7169 0.6950 -0.0181 -0.0848 -0.0400 615 CLA b C1C +56958 C C2C . CLA CG . ? 0.7559 0.8158 0.7911 -0.0141 -0.0896 -0.0409 615 CLA b C2C +56959 C C3C . CLA CG . ? 0.7468 0.7973 0.7720 -0.0125 -0.0898 -0.0382 615 CLA b C3C +56960 C C4C . CLA CG . ? 0.7597 0.8055 0.7828 -0.0158 -0.0852 -0.0362 615 CLA b C4C +56961 C CMC . CLA CG . ? 0.8078 0.8763 0.8497 -0.0121 -0.0934 -0.0438 615 CLA b CMC +56962 C CAC . CLA CG . ? 0.6631 0.7098 0.6818 -0.0086 -0.0937 -0.0377 615 CLA b CAC +56963 C CBC . CLA CG . ? 0.8226 0.8672 0.8387 -0.0042 -0.0935 -0.0357 615 CLA b CBC +56964 N ND . CLA CG . ? 0.6400 0.6760 0.6579 -0.0208 -0.0766 -0.0320 615 CLA b ND +56965 C C1D . CLA CG . ? 0.6397 0.6716 0.6513 -0.0175 -0.0798 -0.0312 615 CLA b C1D +56966 C C2D . CLA CG . ? 0.6957 0.7190 0.6990 -0.0167 -0.0782 -0.0283 615 CLA b C2D +56967 C C3D . CLA CG . ? 0.7113 0.7336 0.7162 -0.0197 -0.0738 -0.0272 615 CLA b C3D +56968 C C4D . CLA CG . ? 0.6208 0.6503 0.6337 -0.0218 -0.0732 -0.0294 615 CLA b C4D +56969 C CMD . CLA CG . ? 0.7471 0.7638 0.7420 -0.0138 -0.0800 -0.0266 615 CLA b CMD +56970 C CAD . CLA CG . ? 0.6732 0.6900 0.6745 -0.0213 -0.0699 -0.0248 615 CLA b CAD +56971 O OBD . CLA CG . ? 0.6394 0.6494 0.6337 -0.0202 -0.0693 -0.0225 615 CLA b OBD +56972 C CBD . CLA CG . ? 0.6978 0.7183 0.7049 -0.0245 -0.0669 -0.0255 615 CLA b CBD +56973 C CGD . CLA CG . ? 0.7267 0.7459 0.7335 -0.0233 -0.0641 -0.0235 615 CLA b CGD +56974 O O1D . CLA CG . ? 0.6454 0.6685 0.6557 -0.0212 -0.0645 -0.0238 615 CLA b O1D +56975 O O2D . CLA CG . ? 0.7223 0.7354 0.7245 -0.0248 -0.0609 -0.0212 615 CLA b O2D +56976 C CED . CLA CG . ? 0.6766 0.6883 0.6784 -0.0239 -0.0584 -0.0195 615 CLA b CED +56977 C C1 . CLA CG . ? 0.8269 0.8499 0.8466 -0.0369 -0.0474 -0.0229 615 CLA b C1 +56978 C C2 . CLA CG . ? 0.7218 0.7500 0.7459 -0.0342 -0.0479 -0.0235 615 CLA b C2 +56979 C C3 . CLA CG . ? 0.7266 0.7586 0.7555 -0.0353 -0.0454 -0.0240 615 CLA b C3 +56980 C C4 . CLA CG . ? 0.7413 0.7725 0.7712 -0.0394 -0.0418 -0.0241 615 CLA b C4 +56981 C C5 . CLA CG . ? 0.7808 0.8178 0.8138 -0.0322 -0.0461 -0.0246 615 CLA b C5 +56982 C C6 . CLA CG . ? 0.9418 0.9871 0.9825 -0.0332 -0.0474 -0.0276 615 CLA b C6 +56983 C C7 . CLA CG . ? 0.8717 0.9225 0.9171 -0.0303 -0.0476 -0.0284 615 CLA b C7 +56984 C C8 . CLA CG . ? 0.9758 1.0268 1.0195 -0.0260 -0.0515 -0.0284 615 CLA b C8 +56985 C C9 . CLA CG . ? 1.1779 1.2303 1.2219 -0.0265 -0.0549 -0.0299 615 CLA b C9 +56986 C C10 . CLA CG . ? 1.1501 1.2075 1.1993 -0.0231 -0.0522 -0.0296 615 CLA b C10 +56987 C C11 . CLA CG . ? 1.0511 1.1074 1.0974 -0.0187 -0.0561 -0.0293 615 CLA b C11 +56988 C C12 . CLA CG . ? 1.0168 1.0792 1.0682 -0.0153 -0.0573 -0.0306 615 CLA b C12 +56989 C C13 . CLA CG . ? 0.8098 0.8747 0.8615 -0.0121 -0.0619 -0.0319 615 CLA b C13 +56990 C C14 . CLA CG . ? 0.9887 1.0564 1.0423 -0.0076 -0.0631 -0.0322 615 CLA b C14 +56991 C C15 . CLA CG . ? 0.9375 0.9946 0.9809 -0.0111 -0.0637 -0.0300 615 CLA b C15 +56992 C C16 . CLA CG . ? 0.9718 1.0305 1.0152 -0.0108 -0.0677 -0.0315 615 CLA b C16 +56993 C C17 . CLA CG . ? 1.0263 1.0891 1.0743 -0.0153 -0.0672 -0.0336 615 CLA b C17 +56994 C C18 . CLA CG . ? 0.9559 1.0173 1.0012 -0.0155 -0.0707 -0.0344 615 CLA b C18 +56995 C C19 . CLA CG . ? 0.8729 0.9308 0.9161 -0.0201 -0.0687 -0.0341 615 CLA b C19 +56996 C C20 . CLA CG . ? 0.9191 0.9887 0.9709 -0.0147 -0.0742 -0.0376 615 CLA b C20 +56997 MG MG . CLA DG . ? 0.7262 0.7645 0.7484 -0.0045 -0.0688 -0.0247 616 CLA b MG +56998 C CHA . CLA DG . ? 0.6673 0.7120 0.6942 0.0050 -0.0716 -0.0256 616 CLA b CHA +56999 C CHB . CLA DG . ? 0.6529 0.6887 0.6771 -0.0083 -0.0595 -0.0221 616 CLA b CHB +57000 C CHC . CLA DG . ? 0.7581 0.7927 0.7784 -0.0139 -0.0662 -0.0252 616 CLA b CHC +57001 C CHD . CLA DG . ? 0.6873 0.7322 0.7106 -0.0003 -0.0796 -0.0292 616 CLA b CHD +57002 N NA . CLA DG . ? 0.7734 0.8138 0.7990 -0.0023 -0.0659 -0.0240 616 CLA b NA +57003 C C1A . CLA DG . ? 0.6979 0.7397 0.7241 0.0015 -0.0673 -0.0242 616 CLA b C1A +57004 C C2A . CLA DG . ? 0.7079 0.7485 0.7343 0.0025 -0.0644 -0.0230 616 CLA b C2A +57005 C C3A . CLA DG . ? 0.6595 0.6976 0.6852 -0.0019 -0.0606 -0.0220 616 CLA b C3A +57006 C C4A . CLA DG . ? 0.7835 0.8217 0.8087 -0.0043 -0.0621 -0.0227 616 CLA b C4A +57007 C CMA . CLA DG . ? 0.7080 0.7528 0.7413 -0.0038 -0.0583 -0.0237 616 CLA b CMA +57008 C CAA . CLA DG . ? 0.6528 0.6862 0.6720 0.0058 -0.0649 -0.0206 616 CLA b CAA +57009 C CBA . CLA DG . ? 0.7725 0.8038 0.7912 0.0061 -0.0617 -0.0192 616 CLA b CBA +57010 C CGA . CLA DG . ? 0.8362 0.8737 0.8608 0.0085 -0.0621 -0.0209 616 CLA b CGA +57011 O O1A . CLA DG . ? 1.0251 1.0667 1.0522 0.0112 -0.0651 -0.0225 616 CLA b O1A +57012 O O2A . CLA DG . ? 1.0208 1.0597 1.0482 0.0081 -0.0589 -0.0208 616 CLA b O2A +57013 N NB . CLA DG . ? 0.6589 0.6946 0.6812 -0.0102 -0.0636 -0.0237 616 CLA b NB +57014 C C1B . CLA DG . ? 0.6379 0.6731 0.6613 -0.0113 -0.0601 -0.0227 616 CLA b C1B +57015 C C2B . CLA DG . ? 0.6880 0.7216 0.7116 -0.0157 -0.0570 -0.0224 616 CLA b C2B +57016 C C3B . CLA DG . ? 0.6872 0.7203 0.7096 -0.0174 -0.0590 -0.0233 616 CLA b C3B +57017 C C4B . CLA DG . ? 0.6905 0.7251 0.7123 -0.0138 -0.0630 -0.0241 616 CLA b C4B +57018 C CMB . CLA DG . ? 0.5960 0.6286 0.6204 -0.0178 -0.0529 -0.0214 616 CLA b CMB +57019 C CAB . CLA DG . ? 0.6961 0.7273 0.7178 -0.0217 -0.0571 -0.0234 616 CLA b CAB +57020 C CBB . CLA DG . ? 0.9366 0.9694 0.9595 -0.0235 -0.0588 -0.0250 616 CLA b CBB +57021 N NC . CLA DG . ? 0.8027 0.8425 0.8250 -0.0068 -0.0721 -0.0268 616 CLA b NC +57022 C C1C . CLA DG . ? 0.6748 0.7125 0.6960 -0.0107 -0.0704 -0.0267 616 CLA b C1C +57023 C C2C . CLA DG . ? 0.8984 0.9369 0.9190 -0.0116 -0.0734 -0.0282 616 CLA b C2C +57024 C C3C . CLA DG . ? 0.7414 0.7831 0.7630 -0.0076 -0.0774 -0.0294 616 CLA b C3C +57025 C C4C . CLA DG . ? 0.7101 0.7523 0.7326 -0.0049 -0.0762 -0.0283 616 CLA b C4C +57026 C CMC . CLA DG . ? 0.7011 0.7375 0.7204 -0.0155 -0.0727 -0.0286 616 CLA b CMC +57027 C CAC . CLA DG . ? 0.8521 0.8959 0.8736 -0.0065 -0.0818 -0.0313 616 CLA b CAC +57028 C CBC . CLA DG . ? 0.6811 0.7338 0.7117 -0.0089 -0.0823 -0.0344 616 CLA b CBC +57029 N ND . CLA DG . ? 0.7747 0.8186 0.7996 0.0007 -0.0742 -0.0269 616 CLA b ND +57030 C C1D . CLA DG . ? 0.7115 0.7576 0.7364 0.0024 -0.0785 -0.0285 616 CLA b C1D +57031 C C2D . CLA DG . ? 0.7386 0.7879 0.7650 0.0070 -0.0816 -0.0294 616 CLA b C2D +57032 C C3D . CLA DG . ? 0.7203 0.7691 0.7477 0.0080 -0.0786 -0.0282 616 CLA b C3D +57033 C C4D . CLA DG . ? 0.7277 0.7735 0.7542 0.0042 -0.0746 -0.0268 616 CLA b C4D +57034 C CMD . CLA DG . ? 0.6952 0.7475 0.7221 0.0104 -0.0864 -0.0311 616 CLA b CMD +57035 C CAD . CLA DG . ? 0.8367 0.8867 0.8655 0.0116 -0.0782 -0.0278 616 CLA b CAD +57036 O OBD . CLA DG . ? 0.7223 0.7748 0.7520 0.0157 -0.0814 -0.0288 616 CLA b OBD +57037 C CBD . CLA DG . ? 0.7859 0.8333 0.8144 0.0096 -0.0738 -0.0262 616 CLA b CBD +57038 C CGD . CLA DG . ? 0.7214 0.7761 0.7579 0.0095 -0.0722 -0.0280 616 CLA b CGD +57039 O O1D . CLA DG . ? 0.8659 0.9206 0.9025 0.0124 -0.0717 -0.0275 616 CLA b O1D +57040 O O2D . CLA DG . ? 0.8550 0.9171 0.8992 0.0059 -0.0710 -0.0303 616 CLA b O2D +57041 C CED . CLA DG . ? 0.9310 0.9999 0.9823 0.0064 -0.0696 -0.0318 616 CLA b CED +57042 C C1 . CLA DG . ? 1.2669 1.3138 1.3018 0.0092 -0.0590 -0.0232 616 CLA b C1 +57043 C C2 . CLA DG . ? 1.4381 1.4896 1.4786 0.0049 -0.0559 -0.0243 616 CLA b C2 +57044 C C3 . CLA DG . ? 1.5168 1.5768 1.5651 0.0041 -0.0563 -0.0270 616 CLA b C3 +57045 C C4 . CLA DG . ? 1.4489 1.5146 1.5010 0.0076 -0.0602 -0.0290 616 CLA b C4 +57046 C C5 . CLA DG . ? 1.1593 1.2230 1.2125 -0.0003 -0.0530 -0.0280 616 CLA b C5 +57047 C C6 . CLA DG . ? 1.3544 1.4147 1.4048 -0.0045 -0.0521 -0.0272 616 CLA b C6 +57048 C C7 . CLA DG . ? 1.2184 1.2857 1.2755 -0.0077 -0.0523 -0.0297 616 CLA b C7 +57049 C C8 . CLA DG . ? 1.4090 1.4734 1.4647 -0.0126 -0.0495 -0.0291 616 CLA b C8 +57050 C C9 . CLA DG . ? 1.4119 1.4688 1.4615 -0.0133 -0.0465 -0.0263 616 CLA b C9 +57051 C C10 . CLA DG . ? 1.4515 1.5233 1.5151 -0.0158 -0.0474 -0.0313 616 CLA b C10 +57052 C C11 . CLA DG . ? 1.3689 1.4374 1.4309 -0.0206 -0.0438 -0.0305 616 CLA b C11 +57053 C C12 . CLA DG . ? 1.4315 1.5074 1.5012 -0.0240 -0.0423 -0.0330 616 CLA b C12 +57054 C C13 . CLA DG . ? 1.5659 1.6461 1.6388 -0.0246 -0.0458 -0.0350 616 CLA b C13 +57055 C C14 . CLA DG . ? 1.7300 1.8035 1.7967 -0.0266 -0.0467 -0.0337 616 CLA b C14 +57056 C C15 . CLA DG . ? 1.7975 1.8860 1.8789 -0.0277 -0.0447 -0.0378 616 CLA b C15 +57057 C C16 . CLA DG . ? 1.6299 1.7238 1.7153 -0.0275 -0.0488 -0.0402 616 CLA b C16 +57058 C C17 . CLA DG . ? 1.4709 1.5731 1.5649 -0.0311 -0.0476 -0.0431 616 CLA b C17 +57059 C C18 . CLA DG . ? 1.7623 1.8722 1.8621 -0.0292 -0.0519 -0.0459 616 CLA b C18 +57060 C C19 . CLA DG . ? 1.3399 1.4455 1.4345 -0.0285 -0.0559 -0.0455 616 CLA b C19 +57061 C C20 . CLA DG . ? 1.6587 1.7774 1.7677 -0.0330 -0.0508 -0.0490 616 CLA b C20 +57062 C C1 . BCR EG . ? 0.8616 0.7930 0.7964 -0.0326 -0.0215 0.0110 617 BCR b C1 +57063 C C2 . BCR EG . ? 0.7230 0.6515 0.6548 -0.0321 -0.0207 0.0119 617 BCR b C2 +57064 C C3 . BCR EG . ? 0.9194 0.8475 0.8497 -0.0304 -0.0213 0.0127 617 BCR b C3 +57065 C C4 . BCR EG . ? 0.9264 0.8568 0.8586 -0.0295 -0.0214 0.0133 617 BCR b C4 +57066 C C5 . BCR EG . ? 0.7900 0.7229 0.7250 -0.0300 -0.0220 0.0126 617 BCR b C5 +57067 C C6 . BCR EG . ? 0.7955 0.7292 0.7319 -0.0313 -0.0220 0.0115 617 BCR b C6 +57068 C C7 . BCR EG . ? 0.7007 0.6373 0.6401 -0.0315 -0.0226 0.0108 617 BCR b C7 +57069 C C8 . BCR EG . ? 0.6560 0.5940 0.5962 -0.0311 -0.0240 0.0102 617 BCR b C8 +57070 C C9 . BCR EG . ? 0.7190 0.6601 0.6623 -0.0311 -0.0247 0.0094 617 BCR b C9 +57071 C C10 . BCR EG . ? 0.7157 0.6580 0.6595 -0.0303 -0.0262 0.0089 617 BCR b C10 +57072 C C11 . BCR EG . ? 0.5868 0.5322 0.5336 -0.0299 -0.0272 0.0081 617 BCR b C11 +57073 C C33 . BCR EG . ? 0.8391 0.7738 0.7754 -0.0290 -0.0224 0.0131 617 BCR b C33 +57074 C C31 . BCR EG . ? 0.7507 0.6821 0.6852 -0.0330 -0.0226 0.0101 617 BCR b C31 +57075 C C32 . BCR EG . ? 0.8283 0.7607 0.7651 -0.0341 -0.0205 0.0104 617 BCR b C32 +57076 C C34 . BCR EG . ? 0.6993 0.6420 0.6451 -0.0317 -0.0236 0.0093 617 BCR b C34 +57077 C C12 . BCR EG . ? 0.6827 0.6291 0.6297 -0.0290 -0.0289 0.0076 617 BCR b C12 +57078 C C13 . BCR EG . ? 0.6504 0.6000 0.6002 -0.0282 -0.0301 0.0068 617 BCR b C13 +57079 C C14 . BCR EG . ? 0.7054 0.6554 0.6546 -0.0270 -0.0319 0.0064 617 BCR b C14 +57080 C C15 . BCR EG . ? 0.7149 0.6677 0.6663 -0.0257 -0.0335 0.0057 617 BCR b C15 +57081 C C16 . BCR EG . ? 0.6534 0.6059 0.6033 -0.0243 -0.0354 0.0055 617 BCR b C16 +57082 C C17 . BCR EG . ? 0.6629 0.6181 0.6149 -0.0228 -0.0370 0.0048 617 BCR b C17 +57083 C C18 . BCR EG . ? 0.7486 0.7035 0.6990 -0.0211 -0.0391 0.0046 617 BCR b C18 +57084 C C19 . BCR EG . ? 0.6210 0.5786 0.5736 -0.0194 -0.0407 0.0039 617 BCR b C19 +57085 C C20 . BCR EG . ? 0.6991 0.6560 0.6496 -0.0173 -0.0427 0.0040 617 BCR b C20 +57086 C C21 . BCR EG . ? 0.7264 0.6863 0.6796 -0.0155 -0.0441 0.0032 617 BCR b C21 +57087 C C22 . BCR EG . ? 0.7969 0.7561 0.7482 -0.0131 -0.0462 0.0032 617 BCR b C22 +57088 C C23 . BCR EG . ? 0.8237 0.7859 0.7777 -0.0115 -0.0475 0.0024 617 BCR b C23 +57089 C C24 . BCR EG . ? 0.7385 0.6998 0.6905 -0.0088 -0.0496 0.0025 617 BCR b C24 +57090 C C25 . BCR EG . ? 0.7904 0.7550 0.7454 -0.0068 -0.0512 0.0015 617 BCR b C25 +57091 C C26 . BCR EG . ? 0.8210 0.7866 0.7781 -0.0062 -0.0500 0.0018 617 BCR b C26 +57092 C C27 . BCR EG . ? 0.7711 0.7401 0.7313 -0.0039 -0.0516 0.0007 617 BCR b C27 +57093 C C28 . BCR EG . ? 0.7313 0.7010 0.6903 -0.0017 -0.0548 -0.0002 617 BCR b C28 +57094 C C29 . BCR EG . ? 0.7863 0.7576 0.7459 -0.0033 -0.0559 -0.0013 617 BCR b C29 +57095 C C30 . BCR EG . ? 0.7677 0.7344 0.7229 -0.0052 -0.0543 0.0001 617 BCR b C30 +57096 C C35 . BCR EG . ? 0.6124 0.5645 0.5655 -0.0286 -0.0292 0.0064 617 BCR b C35 +57097 C C36 . BCR EG . ? 0.6614 0.6133 0.6077 -0.0209 -0.0398 0.0049 617 BCR b C36 +57098 C C37 . BCR EG . ? 0.6359 0.5911 0.5818 -0.0122 -0.0471 0.0041 617 BCR b C37 +57099 C C38 . BCR EG . ? 0.6765 0.6400 0.6333 -0.0077 -0.0471 0.0032 617 BCR b C38 +57100 C C39 . BCR EG . ? 0.7744 0.7434 0.7316 -0.0076 -0.0547 -0.0013 617 BCR b C39 +57101 C C40 . BCR EG . ? 0.6904 0.6523 0.6395 -0.0030 -0.0556 0.0014 617 BCR b C40 +57102 C C1 . BCR FG . ? 0.9889 0.9227 0.9242 -0.0352 -0.0293 0.0043 618 BCR b C1 +57103 C C2 . BCR FG . ? 0.8384 0.7679 0.7697 -0.0350 -0.0281 0.0052 618 BCR b C2 +57104 C C3 . BCR FG . ? 0.8313 0.7603 0.7627 -0.0347 -0.0264 0.0065 618 BCR b C3 +57105 C C4 . BCR FG . ? 0.8335 0.7642 0.7655 -0.0329 -0.0266 0.0075 618 BCR b C4 +57106 C C5 . BCR FG . ? 0.7614 0.6957 0.6967 -0.0327 -0.0279 0.0068 618 BCR b C5 +57107 C C6 . BCR FG . ? 0.8413 0.7772 0.7782 -0.0336 -0.0291 0.0054 618 BCR b C6 +57108 C C7 . BCR FG . ? 0.7242 0.6639 0.6644 -0.0332 -0.0304 0.0047 618 BCR b C7 +57109 C C8 . BCR FG . ? 0.7550 0.6974 0.6985 -0.0337 -0.0297 0.0045 618 BCR b C8 +57110 C C9 . BCR FG . ? 0.6961 0.6424 0.6431 -0.0331 -0.0309 0.0038 618 BCR b C9 +57111 C C10 . BCR FG . ? 0.6759 0.6244 0.6258 -0.0332 -0.0300 0.0039 618 BCR b C10 +57112 C C11 . BCR FG . ? 0.6345 0.5871 0.5881 -0.0325 -0.0310 0.0031 618 BCR b C11 +57113 C C33 . BCR FG . ? 0.7371 0.6732 0.6737 -0.0314 -0.0277 0.0078 618 BCR b C33 +57114 C C31 . BCR FG . ? 0.9076 0.8418 0.8421 -0.0346 -0.0313 0.0034 618 BCR b C31 +57115 C C32 . BCR FG . ? 0.8745 0.8100 0.8129 -0.0375 -0.0287 0.0031 618 BCR b C32 +57116 C C34 . BCR FG . ? 0.7449 0.6922 0.6917 -0.0322 -0.0332 0.0029 618 BCR b C34 +57117 C C12 . BCR FG . ? 0.6531 0.6077 0.6095 -0.0329 -0.0298 0.0030 618 BCR b C12 +57118 C C13 . BCR FG . ? 0.6601 0.6188 0.6203 -0.0321 -0.0306 0.0022 618 BCR b C13 +57119 C C14 . BCR FG . ? 0.6256 0.5858 0.5879 -0.0321 -0.0293 0.0024 618 BCR b C14 +57120 C C15 . BCR FG . ? 0.6418 0.6060 0.6080 -0.0311 -0.0300 0.0015 618 BCR b C15 +57121 C C16 . BCR FG . ? 0.7332 0.6986 0.7012 -0.0311 -0.0285 0.0017 618 BCR b C16 +57122 C C17 . BCR FG . ? 0.6532 0.6226 0.6249 -0.0299 -0.0292 0.0008 618 BCR b C17 +57123 C C18 . BCR FG . ? 0.7807 0.7513 0.7541 -0.0295 -0.0279 0.0010 618 BCR b C18 +57124 C C19 . BCR FG . ? 0.6996 0.6743 0.6768 -0.0281 -0.0288 -0.0001 618 BCR b C19 +57125 C C20 . BCR FG . ? 0.7139 0.6897 0.6926 -0.0274 -0.0276 0.0000 618 BCR b C20 +57126 C C21 . BCR FG . ? 0.8045 0.7844 0.7868 -0.0257 -0.0287 -0.0012 618 BCR b C21 +57127 C C22 . BCR FG . ? 0.7960 0.7770 0.7797 -0.0244 -0.0279 -0.0012 618 BCR b C22 +57128 C C23 . BCR FG . ? 0.7213 0.7062 0.7085 -0.0227 -0.0291 -0.0024 618 BCR b C23 +57129 C C24 . BCR FG . ? 0.8302 0.8165 0.8190 -0.0212 -0.0285 -0.0026 618 BCR b C24 +57130 C C25 . BCR FG . ? 0.9450 0.9357 0.9376 -0.0190 -0.0298 -0.0039 618 BCR b C25 +57131 C C26 . BCR FG . ? 0.9666 0.9573 0.9584 -0.0165 -0.0324 -0.0040 618 BCR b C26 +57132 C C27 . BCR FG . ? 0.9681 0.9633 0.9638 -0.0140 -0.0339 -0.0054 618 BCR b C27 +57133 C C28 . BCR FG . ? 0.8045 0.8054 0.8059 -0.0154 -0.0325 -0.0072 618 BCR b C28 +57134 C C29 . BCR FG . ? 0.9161 0.9154 0.9169 -0.0169 -0.0294 -0.0066 618 BCR b C29 +57135 C C30 . BCR FG . ? 1.0740 1.0690 1.0712 -0.0196 -0.0280 -0.0053 618 BCR b C30 +57136 C C35 . BCR FG . ? 0.6274 0.5885 0.5889 -0.0311 -0.0330 0.0011 618 BCR b C35 +57137 C C36 . BCR FG . ? 0.6962 0.6641 0.6677 -0.0304 -0.0256 0.0021 618 BCR b C36 +57138 C C37 . BCR FG . ? 0.7449 0.7228 0.7263 -0.0249 -0.0257 0.0000 618 BCR b C37 +57139 C C38 . BCR FG . ? 0.9680 0.9544 0.9551 -0.0159 -0.0340 -0.0026 618 BCR b C38 +57140 C C39 . BCR FG . ? 1.2014 1.1933 1.1964 -0.0201 -0.0255 -0.0042 618 BCR b C39 +57141 C C40 . BCR FG . ? 0.9220 0.9201 0.9224 -0.0226 -0.0270 -0.0065 618 BCR b C40 +57142 C C1 . BCR GG . ? 0.9564 1.0079 1.0117 -0.0492 -0.0215 -0.0275 619 BCR b C1 +57143 C C2 . BCR GG . ? 1.0213 1.0771 1.0817 -0.0518 -0.0178 -0.0288 619 BCR b C2 +57144 C C3 . BCR GG . ? 1.1052 1.1693 1.1735 -0.0535 -0.0188 -0.0317 619 BCR b C3 +57145 C C4 . BCR GG . ? 1.0389 1.1089 1.1113 -0.0495 -0.0220 -0.0329 619 BCR b C4 +57146 C C5 . BCR GG . ? 1.1257 1.1910 1.1925 -0.0458 -0.0256 -0.0314 619 BCR b C5 +57147 C C6 . BCR GG . ? 0.9378 0.9946 0.9968 -0.0458 -0.0252 -0.0289 619 BCR b C6 +57148 C C7 . BCR GG . ? 1.1686 1.2204 1.2218 -0.0424 -0.0283 -0.0272 619 BCR b C7 +57149 C C8 . BCR GG . ? 0.9239 0.9774 0.9774 -0.0401 -0.0322 -0.0279 619 BCR b C8 +57150 C C9 . BCR GG . ? 0.9721 1.0199 1.0192 -0.0370 -0.0346 -0.0260 619 BCR b C9 +57151 C C10 . BCR GG . ? 0.7637 0.8125 0.8107 -0.0328 -0.0365 -0.0257 619 BCR b C10 +57152 C C11 . BCR GG . ? 0.8109 0.8541 0.8515 -0.0298 -0.0387 -0.0238 619 BCR b C11 +57153 C C33 . BCR GG . ? 1.0070 1.0780 1.0778 -0.0423 -0.0293 -0.0329 619 BCR b C33 +57154 C C31 . BCR GG . ? 0.9084 0.9529 0.9568 -0.0470 -0.0206 -0.0248 619 BCR b C31 +57155 C C32 . BCR GG . ? 0.9841 1.0322 1.0369 -0.0523 -0.0222 -0.0276 619 BCR b C32 +57156 C C34 . BCR GG . ? 0.7118 0.7526 0.7525 -0.0384 -0.0351 -0.0245 619 BCR b C34 +57157 C C12 . BCR GG . ? 0.8083 0.8525 0.8489 -0.0258 -0.0406 -0.0236 619 BCR b C12 +57158 C C13 . BCR GG . ? 0.8169 0.8553 0.8510 -0.0228 -0.0427 -0.0217 619 BCR b C13 +57159 C C14 . BCR GG . ? 0.7163 0.7554 0.7502 -0.0188 -0.0442 -0.0215 619 BCR b C14 +57160 C C15 . BCR GG . ? 0.5991 0.6325 0.6267 -0.0157 -0.0462 -0.0196 619 BCR b C15 +57161 C C16 . BCR GG . ? 0.6493 0.6835 0.6770 -0.0119 -0.0475 -0.0194 619 BCR b C16 +57162 C C17 . BCR GG . ? 0.6554 0.6837 0.6767 -0.0088 -0.0492 -0.0176 619 BCR b C17 +57163 C C18 . BCR GG . ? 0.7593 0.7873 0.7798 -0.0050 -0.0504 -0.0172 619 BCR b C18 +57164 C C19 . BCR GG . ? 0.6305 0.6517 0.6439 -0.0026 -0.0518 -0.0151 619 BCR b C19 +57165 C C20 . BCR GG . ? 0.7327 0.7521 0.7439 0.0012 -0.0530 -0.0145 619 BCR b C20 +57166 C C21 . BCR GG . ? 0.6468 0.6590 0.6507 0.0028 -0.0540 -0.0123 619 BCR b C21 +57167 C C22 . BCR GG . ? 0.8100 0.8192 0.8106 0.0065 -0.0554 -0.0114 619 BCR b C22 +57168 C C23 . BCR GG . ? 0.6775 0.6798 0.6711 0.0073 -0.0559 -0.0094 619 BCR b C23 +57169 C C24 . BCR GG . ? 0.7617 0.7597 0.7514 0.0102 -0.0561 -0.0080 619 BCR b C24 +57170 C C25 . BCR GG . ? 0.7668 0.7571 0.7490 0.0109 -0.0563 -0.0057 619 BCR b C25 +57171 C C26 . BCR GG . ? 0.9463 0.9323 0.9255 0.0086 -0.0537 -0.0041 619 BCR b C26 +57172 C C27 . BCR GG . ? 0.7508 0.7293 0.7228 0.0090 -0.0535 -0.0017 619 BCR b C27 +57173 C C28 . BCR GG . ? 0.8690 0.8458 0.8376 0.0112 -0.0565 -0.0016 619 BCR b C28 +57174 C C29 . BCR GG . ? 0.8305 0.8100 0.8010 0.0149 -0.0588 -0.0028 619 BCR b C29 +57175 C C30 . BCR GG . ? 0.9585 0.9460 0.9365 0.0144 -0.0594 -0.0053 619 BCR b C30 +57176 C C35 . BCR GG . ? 0.7592 0.7911 0.7871 -0.0243 -0.0429 -0.0201 619 BCR b C35 +57177 C C36 . BCR GG . ? 0.7099 0.7440 0.7362 -0.0032 -0.0503 -0.0189 619 BCR b C36 +57178 C C37 . BCR GG . ? 0.6780 0.6913 0.6824 0.0096 -0.0561 -0.0127 619 BCR b C37 +57179 C C38 . BCR GG . ? 0.8443 0.8326 0.8271 0.0054 -0.0507 -0.0044 619 BCR b C38 +57180 C C39 . BCR GG . ? 0.8433 0.8334 0.8236 0.0181 -0.0608 -0.0063 619 BCR b C39 +57181 C C40 . BCR GG . ? 0.7499 0.7403 0.7289 0.0140 -0.0619 -0.0066 619 BCR b C40 +57182 O O6 . SQD HG . ? 1.4927 1.4379 1.4265 0.0114 -0.0572 0.0076 620 SQD b O6 +57183 C C44 . SQD HG . ? 1.4106 1.3590 1.3468 0.0091 -0.0573 0.0065 620 SQD b C44 +57184 C C45 . SQD HG . ? 1.4336 1.3813 1.3705 0.0058 -0.0542 0.0073 620 SQD b C45 +57185 C C46 . SQD HG . ? 1.5313 1.4728 1.4622 0.0055 -0.0527 0.0095 620 SQD b C46 +57186 O O47 . SQD HG . ? 1.4094 1.3602 1.3487 0.0037 -0.0545 0.0062 620 SQD b O47 +57187 C C7 . SQD HG . ? 1.2518 1.2005 1.1897 0.0010 -0.0522 0.0071 620 SQD b C7 +57188 O O49 . SQD HG . ? 1.6143 1.5597 1.5479 0.0009 -0.0524 0.0080 620 SQD b O49 +57189 C C8 . SQD HG . ? 1.1677 1.1183 1.1092 -0.0016 -0.0497 0.0071 620 SQD b C8 +57190 C C9 . SQD HG . ? 0.9225 0.8701 0.8612 -0.0037 -0.0478 0.0083 620 SQD b C9 +57191 C C10 . SQD HG . ? 1.0402 0.9899 0.9825 -0.0063 -0.0456 0.0080 620 SQD b C10 +57192 C C11 . SQD HG . ? 1.0688 1.0149 1.0084 -0.0078 -0.0433 0.0096 620 SQD b C11 +57193 C C12 . SQD HG . ? 1.1985 1.1467 1.1410 -0.0104 -0.0416 0.0091 620 SQD b C12 +57194 C C13 . SQD HG . ? 1.2647 1.2164 1.2119 -0.0110 -0.0410 0.0082 620 SQD b C13 +57195 C C14 . SQD HG . ? 1.0716 1.0251 1.0214 -0.0136 -0.0393 0.0077 620 SQD b C14 +57196 C C15 . SQD HG . ? 1.1968 1.1547 1.1516 -0.0140 -0.0393 0.0062 620 SQD b C15 +57197 C C16 . SQD HG . ? 1.2857 1.2439 1.2422 -0.0157 -0.0369 0.0065 620 SQD b C16 +57198 C C17 . SQD HG . ? 1.5319 1.4912 1.4899 -0.0181 -0.0359 0.0058 620 SQD b C17 +57199 C C18 . SQD HG . ? 1.3232 1.2871 1.2856 -0.0188 -0.0367 0.0039 620 SQD b C18 +57200 C C19 . SQD HG . ? 1.1889 1.1536 1.1531 -0.0214 -0.0348 0.0035 620 SQD b C19 +57201 C C20 . SQD HG . ? 0.9793 0.9487 0.9481 -0.0225 -0.0352 0.0015 620 SQD b C20 +57202 C C21 . SQD HG . ? 1.0875 1.0603 1.0595 -0.0206 -0.0363 0.0007 620 SQD b C21 +57203 C C22 . SQD HG . ? 1.0332 1.0110 1.0103 -0.0219 -0.0362 -0.0013 620 SQD b C22 +57204 O O48 . SQD HG . ? 1.2682 1.2075 1.1988 0.0053 -0.0507 0.0107 620 SQD b O48 +57205 C C23 . SQD HG . ? 1.3148 1.2489 1.2409 0.0043 -0.0488 0.0126 620 SQD b C23 +57206 O O10 . SQD HG . ? 1.5000 1.4306 1.4212 0.0052 -0.0494 0.0135 620 SQD b O10 +57207 C C24 . SQD HG . ? 1.0307 0.9641 0.9580 0.0024 -0.0461 0.0135 620 SQD b C24 +57208 C C25 . SQD HG . ? 1.0189 0.9558 0.9499 -0.0004 -0.0449 0.0127 620 SQD b C25 +57209 C C26 . SQD HG . ? 0.8787 0.8144 0.8102 -0.0024 -0.0422 0.0137 620 SQD b C26 +57210 C C27 . SQD HG . ? 1.0360 0.9753 0.9716 -0.0048 -0.0411 0.0128 620 SQD b C27 +57211 C C28 . SQD HG . ? 0.9978 0.9368 0.9348 -0.0062 -0.0389 0.0133 620 SQD b C28 +57212 C C29 . SQD HG . ? 0.9733 0.9125 0.9107 -0.0086 -0.0373 0.0136 620 SQD b C29 +57213 C C30 . SQD HG . ? 1.3506 1.2940 1.2926 -0.0101 -0.0368 0.0123 620 SQD b C30 +57214 C C31 . SQD HG . ? 1.0410 0.9847 0.9848 -0.0109 -0.0352 0.0124 620 SQD b C31 +57215 C C32 . SQD HG . ? 0.9633 0.9107 0.9111 -0.0125 -0.0345 0.0112 620 SQD b C32 +57216 C C33 . SQD HG . ? 1.0158 0.9625 0.9630 -0.0146 -0.0331 0.0117 620 SQD b C33 +57217 C C34 . SQD HG . ? 0.9142 0.8573 0.8583 -0.0148 -0.0320 0.0132 620 SQD b C34 +57218 C C35 . SQD HG . ? 1.2469 1.1894 1.1902 -0.0166 -0.0308 0.0136 620 SQD b C35 +57219 C C36 . SQD HG . ? 1.1893 1.1284 1.1292 -0.0165 -0.0302 0.0151 620 SQD b C36 +57220 C C37 . SQD HG . ? 1.2145 1.1531 1.1533 -0.0178 -0.0295 0.0154 620 SQD b C37 +57221 C C38 . SQD HG . ? 0.9753 0.9151 0.9161 -0.0194 -0.0282 0.0151 620 SQD b C38 +57222 C C1 . SQD HG . ? 1.5016 1.4415 1.4289 0.0135 -0.0584 0.0088 620 SQD b C1 +57223 C C2 . SQD HG . ? 1.5189 1.4546 1.4427 0.0161 -0.0585 0.0100 620 SQD b C2 +57224 O O2 . SQD HG . ? 1.5127 1.4479 1.4383 0.0147 -0.0560 0.0106 620 SQD b O2 +57225 C C3 . SQD HG . ? 1.4300 1.3591 1.3463 0.0168 -0.0585 0.0118 620 SQD b C3 +57226 O O3 . SQD HG . ? 1.6898 1.6147 1.6020 0.0198 -0.0595 0.0126 620 SQD b O3 +57227 C C4 . SQD HG . ? 1.5233 1.4528 1.4376 0.0171 -0.0606 0.0112 620 SQD b C4 +57228 O O4 . SQD HG . ? 1.5491 1.4736 1.4581 0.0157 -0.0589 0.0129 620 SQD b O4 +57229 C C5 . SQD HG . ? 1.5152 1.4510 1.4351 0.0153 -0.0613 0.0092 620 SQD b C5 +57230 C C6 . SQD HG . ? 1.7034 1.6405 1.6221 0.0166 -0.0643 0.0080 620 SQD b C6 +57231 O O5 . SQD HG . ? 1.4643 1.4056 1.3907 0.0151 -0.0614 0.0077 620 SQD b O5 +57232 S S . SQD HG . ? 1.3125 1.2563 1.2375 0.0140 -0.0647 0.0059 620 SQD b S +57233 O O7 . SQD HG . ? 1.4319 1.3818 1.3636 0.0145 -0.0656 0.0040 620 SQD b O7 +57234 O O8 . SQD HG . ? 1.3670 1.3104 1.2931 0.0105 -0.0616 0.0066 620 SQD b O8 +57235 O O9 . SQD HG . ? 1.4179 1.3617 1.3406 0.0147 -0.0672 0.0049 620 SQD b O9 +57236 C C1B . LMT IG . ? 1.6660 1.6043 1.5383 -0.0175 -0.1487 -0.0646 621 LMT b C1B +57237 O O1B . LMT IG . ? 2.0537 2.0014 1.9368 -0.0187 -0.1496 -0.0657 621 LMT b O1B +57238 C "C1'" . LMT IG . ? 1.9081 1.8709 1.8176 -0.0281 -0.1401 -0.0647 621 LMT b "C1'" +57239 C "C2'" . LMT IG . ? 1.9730 1.9259 1.8722 -0.0284 -0.1393 -0.0643 621 LMT b "C2'" +57240 C "C3'" . LMT IG . ? 2.2506 2.1967 2.1390 -0.0232 -0.1402 -0.0620 621 LMT b "C3'" +57241 C "C4'" . LMT IG . ? 2.1691 2.1192 2.0574 -0.0191 -0.1451 -0.0629 621 LMT b "C4'" +57242 C "C5'" . LMT IG . ? 2.0402 2.0010 1.9405 -0.0206 -0.1466 -0.0648 621 LMT b "C5'" +57243 C "C6'" . LMT IG . ? 1.9099 1.8755 1.8117 -0.0162 -0.1502 -0.0648 621 LMT b "C6'" +57244 O "O1'" . LMT IG . ? 1.6464 1.6107 1.5610 -0.0302 -0.1353 -0.0627 621 LMT b "O1'" +57245 O "O2'" . LMT IG . ? 1.6989 1.6524 1.5983 -0.0308 -0.1429 -0.0680 621 LMT b "O2'" +57246 O "O3'" . LMT IG . ? 2.1444 2.0868 2.0300 -0.0216 -0.1356 -0.0582 621 LMT b "O3'" +57247 O "O5'" . LMT IG . ? 2.0381 2.0013 1.9446 -0.0230 -0.1418 -0.0630 621 LMT b "O5'" +57248 O "O6'" . LMT IG . ? 1.8855 1.8583 1.7967 -0.0172 -0.1484 -0.0643 621 LMT b "O6'" +57249 C C1 . LMT IG . ? 1.3943 1.3664 1.3195 -0.0340 -0.1350 -0.0648 621 LMT b C1 +57250 C C2 . LMT IG . ? 1.3603 1.3300 1.2872 -0.0368 -0.1293 -0.0626 621 LMT b C2 +57251 C C3 . LMT IG . ? 1.1121 1.0890 1.0496 -0.0408 -0.1275 -0.0637 621 LMT b C3 +57252 C C4 . LMT IG . ? 1.2001 1.1721 1.1364 -0.0437 -0.1222 -0.0617 621 LMT b C4 +57253 C C5 . LMT IG . ? 1.0928 1.0713 1.0389 -0.0470 -0.1195 -0.0621 621 LMT b C5 +57254 C C6 . LMT IG . ? 1.1238 1.0989 1.0704 -0.0518 -0.1161 -0.0623 621 LMT b C6 +57255 C C7 . LMT IG . ? 1.1275 1.1092 1.0839 -0.0552 -0.1136 -0.0628 621 LMT b C7 +57256 C C8 . LMT IG . ? 1.4470 1.4251 1.4035 -0.0602 -0.1109 -0.0636 621 LMT b C8 +57257 C C9 . LMT IG . ? 1.2359 1.2198 1.2015 -0.0642 -0.1081 -0.0643 621 LMT b C9 +57258 C C10 . LMT IG . ? 1.1291 1.1116 1.0959 -0.0694 -0.1081 -0.0670 621 LMT b C10 +57259 C C11 . LMT IG . ? 1.0847 1.0657 1.0542 -0.0733 -0.1032 -0.0659 621 LMT b C11 +57260 C C12 . LMT IG . ? 1.1831 1.1624 1.1537 -0.0786 -0.1030 -0.0685 621 LMT b C12 +57261 C C1 . HTG JG . ? 1.5643 1.5203 1.5294 -0.0497 0.0060 0.0018 622 HTG b C1 +57262 S S1 . HTG JG . ? 1.0261 0.9896 0.9986 -0.0497 0.0062 -0.0001 622 HTG b S1 +57263 C C2 . HTG JG . ? 1.1603 1.1134 1.1235 -0.0523 0.0068 0.0019 622 HTG b C2 +57264 O O2 . HTG JG . ? 0.9056 0.8604 0.8710 -0.0527 0.0048 0.0013 622 HTG b O2 +57265 C C3 . HTG JG . ? 1.1365 1.0832 1.0933 -0.0521 0.0069 0.0035 622 HTG b C3 +57266 O O3 . HTG JG . ? 1.0492 0.9932 1.0042 -0.0545 0.0079 0.0034 622 HTG b O3 +57267 C C4 . HTG JG . ? 1.4448 1.3889 1.3984 -0.0518 0.0090 0.0041 622 HTG b C4 +57268 O O4 . HTG JG . ? 1.0268 0.9650 0.9743 -0.0514 0.0088 0.0055 622 HTG b O4 +57269 C C5 . HTG JG . ? 1.2994 1.2464 1.2549 -0.0495 0.0084 0.0039 622 HTG b C5 +57270 O O5 . HTG JG . ? 1.2689 1.2219 1.2305 -0.0491 0.0076 0.0026 622 HTG b O5 +57271 C C6 . HTG JG . ? 1.1908 1.1360 1.1441 -0.0498 0.0110 0.0041 622 HTG b C6 +57272 O O6 . HTG JG . ? 1.6168 1.5655 1.5729 -0.0482 0.0110 0.0035 622 HTG b O6 +57273 C "C1'" . HTG JG . ? 0.8310 0.7966 0.8047 -0.0462 0.0043 0.0001 622 HTG b "C1'" +57274 C "C2'" . HTG JG . ? 0.7621 0.7288 0.7369 -0.0448 0.0012 0.0002 622 HTG b "C2'" +57275 C "C3'" . HTG JG . ? 0.9726 0.9452 0.9532 -0.0439 0.0000 -0.0013 622 HTG b "C3'" +57276 C "C4'" . HTG JG . ? 0.7935 0.7663 0.7738 -0.0413 -0.0029 -0.0008 622 HTG b "C4'" +57277 C "C5'" . HTG JG . ? 1.1616 1.1368 1.1445 -0.0416 -0.0050 -0.0015 622 HTG b "C5'" +57278 C "C6'" . HTG JG . ? 1.1452 1.1262 1.1335 -0.0404 -0.0061 -0.0030 622 HTG b "C6'" +57279 C "C7'" . HTG JG . ? 1.0045 0.9874 0.9947 -0.0406 -0.0083 -0.0036 622 HTG b "C7'" +57280 C C1 . HTG KG . ? 1.9595 2.0369 2.0760 -0.1553 -0.0157 -0.0745 623 HTG b C1 +57281 S S1 . HTG KG . ? 1.6902 1.7663 1.8017 -0.1467 -0.0195 -0.0719 623 HTG b S1 +57282 C C2 . HTG KG . ? 1.9345 2.0053 2.0467 -0.1576 -0.0094 -0.0720 623 HTG b C2 +57283 O O2 . HTG KG . ? 1.8338 1.9120 1.9516 -0.1553 -0.0072 -0.0715 623 HTG b O2 +57284 C C3 . HTG KG . ? 1.9597 2.0279 2.0730 -0.1650 -0.0057 -0.0735 623 HTG b C3 +57285 O O3 . HTG KG . ? 1.5923 1.6519 1.6991 -0.1666 -0.0002 -0.0706 623 HTG b O3 +57286 C C4 . HTG KG . ? 1.9463 2.0082 2.0550 -0.1675 -0.0086 -0.0747 623 HTG b C4 +57287 O O4 . HTG KG . ? 1.6672 1.7265 1.7769 -0.1746 -0.0051 -0.0762 623 HTG b O4 +57288 C C5 . HTG KG . ? 2.0691 2.1400 2.1843 -0.1656 -0.0145 -0.0777 623 HTG b C5 +57289 O O5 . HTG KG . ? 1.9820 2.0542 2.0950 -0.1584 -0.0180 -0.0760 623 HTG b O5 +57290 C C6 . HTG KG . ? 1.7724 1.8374 1.8834 -0.1684 -0.0173 -0.0793 623 HTG b C6 +57291 O O6 . HTG KG . ? 1.6554 1.7183 1.7680 -0.1757 -0.0136 -0.0808 623 HTG b O6 +57292 C "C1'" . HTG KG . ? 1.4575 1.5361 1.5689 -0.1434 -0.0267 -0.0737 623 HTG b "C1'" +57293 C "C2'" . HTG KG . ? 1.1845 1.2574 1.2880 -0.1369 -0.0289 -0.0705 623 HTG b "C2'" +57294 C "C3'" . HTG KG . ? 1.0595 1.1392 1.1664 -0.1323 -0.0347 -0.0720 623 HTG b "C3'" +57295 C "C4'" . HTG KG . ? 1.0196 1.0912 1.1175 -0.1294 -0.0385 -0.0708 623 HTG b "C4'" +57296 C "C5'" . HTG KG . ? 1.1592 1.2368 1.2594 -0.1238 -0.0436 -0.0715 623 HTG b "C5'" +57297 C "C6'" . HTG KG . ? 1.1220 1.1937 1.2152 -0.1217 -0.0481 -0.0714 623 HTG b "C6'" +57298 C "C7'" . HTG KG . ? 1.0519 1.1321 1.1505 -0.1190 -0.0536 -0.0740 623 HTG b "C7'" +57299 C C1 . GOL LG . ? 1.2758 1.2647 1.2270 0.0018 -0.0987 -0.0248 624 GOL b C1 +57300 O O1 . GOL LG . ? 1.3822 1.3743 1.3375 0.0036 -0.0980 -0.0242 624 GOL b O1 +57301 C C2 . GOL LG . ? 1.2254 1.2211 1.1840 -0.0012 -0.1001 -0.0280 624 GOL b C2 +57302 O O2 . GOL LG . ? 1.1306 1.1323 1.0935 0.0010 -0.1039 -0.0301 624 GOL b O2 +57303 C C3 . GOL LG . ? 1.4363 1.4283 1.3906 -0.0036 -0.1007 -0.0288 624 GOL b C3 +57304 O O3 . GOL LG . ? 1.2248 1.2086 1.1703 -0.0023 -0.0994 -0.0263 624 GOL b O3 +57305 C C1 . HTG MG . ? 0.9994 1.0040 1.0120 -0.0531 0.0131 -0.0119 625 HTG b C1 +57306 S S1 . HTG MG . ? 1.0866 1.0949 1.1019 -0.0488 0.0100 -0.0123 625 HTG b S1 +57307 C C2 . HTG MG . ? 1.1371 1.1469 1.1550 -0.0557 0.0160 -0.0137 625 HTG b C2 +57308 O O2 . HTG MG . ? 1.1127 1.1294 1.1375 -0.0561 0.0143 -0.0156 625 HTG b O2 +57309 C C3 . HTG MG . ? 1.0101 1.0153 1.0244 -0.0594 0.0185 -0.0130 625 HTG b C3 +57310 O O3 . HTG MG . ? 1.1586 1.1685 1.1779 -0.0623 0.0213 -0.0147 625 HTG b O3 +57311 C C4 . HTG MG . ? 1.2354 1.2342 1.2430 -0.0588 0.0206 -0.0113 625 HTG b C4 +57312 O O4 . HTG MG . ? 1.1898 1.1836 1.1934 -0.0620 0.0228 -0.0105 625 HTG b O4 +57313 C C5 . HTG MG . ? 0.9841 0.9784 0.9868 -0.0556 0.0178 -0.0096 625 HTG b C5 +57314 O O5 . HTG MG . ? 0.9957 0.9938 1.0017 -0.0527 0.0146 -0.0101 625 HTG b O5 +57315 C C6 . HTG MG . ? 1.1769 1.1678 1.1754 -0.0543 0.0198 -0.0086 625 HTG b C6 +57316 O O6 . HTG MG . ? 1.4088 1.3929 1.4010 -0.0560 0.0215 -0.0071 625 HTG b O6 +57317 C "C1'" . HTG MG . ? 0.9289 0.9300 0.9371 -0.0466 0.0075 -0.0099 625 HTG b "C1'" +57318 C "C2'" . HTG MG . ? 0.8746 0.8769 0.8832 -0.0429 0.0053 -0.0098 625 HTG b "C2'" +57319 C "C3'" . HTG MG . ? 0.8594 0.8605 0.8669 -0.0414 0.0016 -0.0092 625 HTG b "C3'" +57320 C "C4'" . HTG MG . ? 0.8985 0.8982 0.9041 -0.0379 0.0000 -0.0084 625 HTG b "C4'" +57321 C "C5'" . HTG MG . ? 0.9348 0.9347 0.9405 -0.0361 -0.0036 -0.0081 625 HTG b "C5'" +57322 C "C6'" . HTG MG . ? 0.9212 0.9206 0.9260 -0.0326 -0.0051 -0.0077 625 HTG b "C6'" +57323 C "C7'" . HTG MG . ? 1.1162 1.1169 1.1220 -0.0307 -0.0084 -0.0078 625 HTG b "C7'" +57324 C C10 . UNL NG . ? 1.1550 1.2093 1.2191 -0.0677 -0.0002 -0.0297 626 UNL b C10 +57325 C C11 . UNL NG . ? 1.1620 1.2235 1.2324 -0.0668 -0.0039 -0.0320 626 UNL b C11 +57326 C C12 . UNL NG . ? 1.1286 1.1862 1.1946 -0.0644 -0.0081 -0.0310 626 UNL b C12 +57327 C C13 . UNL NG . ? 1.0428 1.0927 1.1025 -0.0671 -0.0077 -0.0297 626 UNL b C13 +57328 C C14 . UNL NG . ? 1.0418 1.0882 1.0975 -0.0652 -0.0118 -0.0289 626 UNL b C14 +57329 C C15 . UNL NG . ? 0.9154 0.9667 0.9758 -0.0665 -0.0146 -0.0313 626 UNL b C15 +57330 C C16 . UNL NG . ? 0.8527 0.8994 0.9080 -0.0651 -0.0182 -0.0305 626 UNL b C16 +57331 C C17 . UNL NG . ? 0.8968 0.9498 0.9574 -0.0647 -0.0219 -0.0329 626 UNL b C17 +57332 C C18 . UNL NG . ? 0.8379 0.8868 0.8935 -0.0625 -0.0258 -0.0321 626 UNL b C18 +57333 C C19 . UNL NG . ? 1.0713 1.1269 1.1320 -0.0606 -0.0298 -0.0343 626 UNL b C19 +57334 C C20 . UNL NG . ? 1.1937 1.2470 1.2504 -0.0558 -0.0331 -0.0330 626 UNL b C20 +57335 C C21 . UNL NG . ? 1.2840 1.3451 1.3466 -0.0528 -0.0361 -0.0349 626 UNL b C21 +57336 C C22 . UNL NG . ? 0.9442 1.0032 1.0033 -0.0479 -0.0378 -0.0332 626 UNL b C22 +57337 C C23 . UNL NG . ? 1.9012 1.9864 1.9903 -0.0552 -0.0058 -0.0360 626 UNL b C23 +57338 C C24 . UNL NG . ? 1.5997 1.6810 1.6860 -0.0587 -0.0067 -0.0358 626 UNL b C24 +57339 C C25 . UNL NG . ? 1.5972 1.6856 1.6901 -0.0594 -0.0098 -0.0384 626 UNL b C25 +57340 C C26 . UNL NG . ? 1.1651 1.2496 1.2554 -0.0631 -0.0106 -0.0384 626 UNL b C26 +57341 C C27 . UNL NG . ? 1.1096 1.1996 1.2045 -0.0627 -0.0148 -0.0406 626 UNL b C27 +57342 C C28 . UNL NG . ? 1.1611 1.2451 1.2494 -0.0602 -0.0187 -0.0390 626 UNL b C28 +57343 C C29 . UNL NG . ? 1.2483 1.3359 1.3397 -0.0609 -0.0225 -0.0410 626 UNL b C29 +57344 C C30 . UNL NG . ? 1.1721 1.2524 1.2560 -0.0594 -0.0256 -0.0393 626 UNL b C30 +57345 C C31 . UNL NG . ? 1.1718 1.2564 1.2588 -0.0588 -0.0301 -0.0414 626 UNL b C31 +57346 C C4 . UNL NG . ? 1.9356 2.0064 2.0125 -0.0591 0.0063 -0.0314 626 UNL b C4 +57347 C C5 . UNL NG . ? 2.0033 2.0699 2.0761 -0.0583 0.0023 -0.0305 626 UNL b C5 +57348 C C6 . UNL NG . ? 1.8799 1.9512 1.9560 -0.0542 -0.0019 -0.0314 626 UNL b C6 +57349 C C7 . UNL NG . ? 1.8761 1.9380 1.9467 -0.0663 0.0056 -0.0306 626 UNL b C7 +57350 C C8 . UNL NG . ? 1.4167 1.4804 1.4904 -0.0709 0.0061 -0.0321 626 UNL b C8 +57351 C C9 . UNL NG . ? 1.2628 1.3189 1.3298 -0.0719 0.0042 -0.0306 626 UNL b C9 +57352 O O10 . UNL NG . ? 1.7948 1.8871 1.8897 -0.0527 -0.0081 -0.0378 626 UNL b O10 +57353 O O6 . UNL NG . ? 1.8375 1.9081 1.9132 -0.0549 0.0061 -0.0307 626 UNL b O6 +57354 O O7 . UNL NG . ? 2.1444 2.2116 2.2188 -0.0622 0.0021 -0.0315 626 UNL b O7 +57355 O O8 . UNL NG . ? 1.9491 2.0299 2.0342 -0.0548 -0.0022 -0.0343 626 UNL b O8 +57356 O O9 . UNL NG . ? 2.0011 2.0571 2.0661 -0.0661 0.0079 -0.0286 626 UNL b O9 +57357 C C1B . LMT OG . ? 1.8581 1.7744 1.7801 -0.0382 -0.0054 0.0140 627 LMT b C1B +57358 O O1B . LMT OG . ? 2.1674 2.0871 2.0934 -0.0393 -0.0049 0.0131 627 LMT b O1B +57359 C "C1'" . LMT OG . ? 1.6678 1.5989 1.6059 -0.0390 -0.0079 0.0112 627 LMT b "C1'" +57360 C "C2'" . LMT OG . ? 1.7991 1.7293 1.7355 -0.0376 -0.0080 0.0120 627 LMT b "C2'" +57361 C "C3'" . LMT OG . ? 2.0219 1.9485 1.9546 -0.0381 -0.0065 0.0124 627 LMT b "C3'" +57362 C "C4'" . LMT OG . ? 2.1126 2.0357 2.0421 -0.0387 -0.0064 0.0128 627 LMT b "C4'" +57363 C "C5'" . LMT OG . ? 1.8506 1.7753 1.7825 -0.0403 -0.0060 0.0120 627 LMT b "C5'" +57364 C "C6'" . LMT OG . ? 1.8372 1.7584 1.7662 -0.0415 -0.0053 0.0121 627 LMT b "C6'" +57365 O "O1'" . LMT OG . ? 1.4174 1.3509 1.3578 -0.0383 -0.0095 0.0110 627 LMT b "O1'" +57366 O "O2'" . LMT OG . ? 1.7118 1.6447 1.6508 -0.0372 -0.0079 0.0115 627 LMT b "O2'" +57367 O "O3'" . LMT OG . ? 1.9096 1.8352 1.8405 -0.0369 -0.0069 0.0130 627 LMT b "O3'" +57368 O "O5'" . LMT OG . ? 1.9308 1.8583 1.8655 -0.0396 -0.0076 0.0117 627 LMT b "O5'" +57369 O "O6'" . LMT OG . ? 1.8914 1.8128 1.8207 -0.0409 -0.0068 0.0122 627 LMT b "O6'" +57370 C C1 . LMT OG . ? 1.1266 1.0639 1.0708 -0.0381 -0.0097 0.0102 627 LMT b C1 +57371 C C2 . LMT OG . ? 0.7919 0.7311 0.7383 -0.0385 -0.0107 0.0096 627 LMT b C2 +57372 C C3 . LMT OG . ? 0.8533 0.7962 0.8031 -0.0375 -0.0119 0.0090 627 LMT b C3 +57373 C C4 . LMT OG . ? 0.8277 0.7736 0.7809 -0.0387 -0.0111 0.0078 627 LMT b C4 +57374 C C5 . LMT OG . ? 0.9228 0.8724 0.8795 -0.0375 -0.0122 0.0072 627 LMT b C5 +57375 C C6 . LMT OG . ? 1.0256 0.9774 0.9844 -0.0377 -0.0135 0.0063 627 LMT b C6 +57376 C C7 . LMT OG . ? 1.2970 1.2524 1.2591 -0.0363 -0.0147 0.0057 627 LMT b C7 +57377 C C8 . LMT OG . ? 0.9718 0.9274 0.9336 -0.0351 -0.0168 0.0059 627 LMT b C8 +57378 C C9 . LMT OG . ? 1.1332 1.0926 1.0986 -0.0344 -0.0181 0.0047 627 LMT b C9 +57379 C C10 . LMT OG . ? 1.0289 0.9884 0.9939 -0.0321 -0.0194 0.0054 627 LMT b C10 +57380 C C11 . LMT OG . ? 0.8424 0.7994 0.8045 -0.0313 -0.0208 0.0063 627 LMT b C11 +57381 C C12 . LMT OG . ? 0.9087 0.8661 0.8707 -0.0292 -0.0222 0.0067 627 LMT b C12 +57382 C C1 . GOL PG . ? 1.2438 1.0325 1.0807 -0.0713 0.0000 0.0011 628 GOL b C1 +57383 O O1 . GOL PG . ? 1.2954 1.0786 1.1300 -0.0756 0.0012 -0.0002 628 GOL b O1 +57384 C C2 . GOL PG . ? 1.1264 0.9079 0.9561 -0.0679 0.0008 0.0030 628 GOL b C2 +57385 O O2 . GOL PG . ? 1.2740 1.0468 1.0967 -0.0670 0.0005 0.0028 628 GOL b O2 +57386 C C3 . GOL PG . ? 1.1317 0.9105 0.9602 -0.0706 0.0034 0.0038 628 GOL b C3 +57387 O O3 . GOL PG . ? 1.2994 1.0750 1.1276 -0.0754 0.0046 0.0024 628 GOL b O3 +57388 O O1 A LHG QG . ? 0.7635 0.6695 0.6404 -0.0036 -0.0451 0.0136 629 LHG b O1 +57389 O O1 B LHG QG . ? 0.7653 0.6713 0.6422 -0.0036 -0.0453 0.0135 629 LHG b O1 +57390 C C1 A LHG QG . ? 0.7283 0.6309 0.6002 -0.0033 -0.0442 0.0138 629 LHG b C1 +57391 C C1 B LHG QG . ? 0.7275 0.6302 0.5994 -0.0033 -0.0445 0.0137 629 LHG b C1 +57392 C C2 A LHG QG . ? 0.7774 0.6762 0.6430 -0.0012 -0.0449 0.0147 629 LHG b C2 +57393 C C2 B LHG QG . ? 0.7769 0.6757 0.6426 -0.0011 -0.0451 0.0146 629 LHG b C2 +57394 O O2 A LHG QG . ? 0.7668 0.6639 0.6312 -0.0008 -0.0426 0.0166 629 LHG b O2 +57395 O O2 B LHG QG . ? 0.7673 0.6646 0.6320 -0.0009 -0.0427 0.0166 629 LHG b O2 +57396 C C3 A LHG QG . ? 0.7595 0.6549 0.6197 -0.0007 -0.0445 0.0145 629 LHG b C3 +57397 C C3 B LHG QG . ? 0.7592 0.6548 0.6195 -0.0006 -0.0448 0.0143 629 LHG b C3 +57398 O O3 A LHG QG . ? 0.7947 0.6912 0.6553 -0.0008 -0.0472 0.0124 629 LHG b O3 +57399 O O3 B LHG QG . ? 0.7979 0.6949 0.6591 -0.0009 -0.0474 0.0123 629 LHG b O3 +57400 P P A LHG QG . ? 0.8186 0.7139 0.6772 -0.0015 -0.0469 0.0113 629 LHG b P +57401 P P B LHG QG . ? 0.8175 0.7129 0.6763 -0.0015 -0.0471 0.0113 629 LHG b P +57402 O O4 A LHG QG . ? 0.7674 0.6583 0.6197 -0.0004 -0.0450 0.0125 629 LHG b O4 +57403 O O4 B LHG QG . ? 0.7665 0.6576 0.6191 -0.0004 -0.0450 0.0126 629 LHG b O4 +57404 O O5 A LHG QG . ? 0.8736 0.7703 0.7332 -0.0016 -0.0503 0.0092 629 LHG b O5 +57405 O O5 B LHG QG . ? 0.8760 0.7727 0.7354 -0.0015 -0.0505 0.0091 629 LHG b O5 +57406 O O6 A LHG QG . ? 0.9087 0.8068 0.7728 -0.0037 -0.0447 0.0114 629 LHG b O6 +57407 O O6 B LHG QG . ? 0.9139 0.8122 0.7782 -0.0037 -0.0450 0.0112 629 LHG b O6 +57408 C C4 A LHG QG . ? 0.8260 0.7225 0.6887 -0.0042 -0.0419 0.0122 629 LHG b C4 +57409 C C4 B LHG QG . ? 0.8276 0.7243 0.6906 -0.0042 -0.0421 0.0121 629 LHG b C4 +57410 C C5 A LHG QG . ? 0.7637 0.6635 0.6325 -0.0061 -0.0407 0.0120 629 LHG b C5 +57411 C C5 B LHG QG . ? 0.7582 0.6583 0.6273 -0.0062 -0.0409 0.0119 629 LHG b C5 +57412 C C6 A LHG QG . ? 0.7942 0.6936 0.6632 -0.0065 -0.0373 0.0136 629 LHG b C6 +57413 C C6 B LHG QG . ? 0.7949 0.6942 0.6638 -0.0065 -0.0375 0.0134 629 LHG b C6 +57414 O O7 A LHG QG . ? 0.8514 0.7517 0.7211 -0.0072 -0.0416 0.0104 629 LHG b O7 +57415 O O7 B LHG QG . ? 0.8488 0.7492 0.7186 -0.0072 -0.0419 0.0102 629 LHG b O7 +57416 C C7 A LHG QG . ? 0.8807 0.7846 0.7559 -0.0086 -0.0430 0.0092 629 LHG b C7 +57417 C C7 B LHG QG . ? 0.8837 0.7877 0.7592 -0.0087 -0.0431 0.0091 629 LHG b C7 +57418 O O9 A LHG QG . ? 0.8838 0.7901 0.7625 -0.0088 -0.0431 0.0098 629 LHG b O9 +57419 O O9 B LHG QG . ? 0.8847 0.7912 0.7639 -0.0090 -0.0430 0.0097 629 LHG b O9 +57420 C C8 A LHG QG . ? 0.7975 0.7018 0.6737 -0.0099 -0.0443 0.0073 629 LHG b C8 +57421 C C8 B LHG QG . ? 0.7945 0.6989 0.6710 -0.0101 -0.0443 0.0072 629 LHG b C8 +57422 C C9 A LHG QG . ? 0.8664 0.7715 0.7456 -0.0115 -0.0421 0.0075 629 LHG b C9 +57423 C C9 B LHG QG . ? 0.8669 0.7721 0.7463 -0.0117 -0.0421 0.0074 629 LHG b C9 +57424 C C10 A LHG QG . ? 0.8357 0.7377 0.7110 -0.0109 -0.0399 0.0084 629 LHG b C10 +57425 C C10 B LHG QG . ? 0.8371 0.7392 0.7125 -0.0108 -0.0398 0.0085 629 LHG b C10 +57426 O O8 A LHG QG . ? 0.8045 0.7065 0.6784 -0.0081 -0.0364 0.0132 629 LHG b O8 +57427 O O8 B LHG QG . ? 0.8046 0.7067 0.6786 -0.0081 -0.0365 0.0132 629 LHG b O8 +57428 C C23 A LHG QG . ? 0.8321 0.7374 0.7112 -0.0091 -0.0366 0.0134 629 LHG b C23 +57429 C C23 B LHG QG . ? 0.8336 0.7388 0.7126 -0.0090 -0.0365 0.0136 629 LHG b C23 +57430 O O10 A LHG QG . ? 0.8934 0.7991 0.7727 -0.0084 -0.0379 0.0136 629 LHG b O10 +57431 O O10 B LHG QG . ? 0.8925 0.7980 0.7713 -0.0082 -0.0377 0.0139 629 LHG b O10 +57432 C C24 A LHG QG . ? 0.8757 0.7834 0.7595 -0.0107 -0.0352 0.0134 629 LHG b C24 +57433 C C24 B LHG QG . ? 0.8803 0.7880 0.7641 -0.0106 -0.0352 0.0135 629 LHG b C24 +57434 C C11 A LHG QG . ? 0.8165 0.7196 0.6949 -0.0120 -0.0376 0.0090 629 LHG b C11 +57435 C C11 B LHG QG . ? 0.8169 0.7200 0.6953 -0.0120 -0.0376 0.0090 629 LHG b C11 +57436 C C12 A LHG QG . ? 0.8322 0.7336 0.7080 -0.0110 -0.0350 0.0106 629 LHG b C12 +57437 C C12 B LHG QG . ? 0.8328 0.7342 0.7086 -0.0110 -0.0350 0.0106 629 LHG b C12 +57438 C C13 A LHG QG . ? 0.8552 0.7565 0.7322 -0.0116 -0.0330 0.0108 629 LHG b C13 +57439 C C13 B LHG QG . ? 0.8557 0.7570 0.7329 -0.0117 -0.0330 0.0107 629 LHG b C13 +57440 C C14 A LHG QG . ? 0.8101 0.7109 0.6860 -0.0107 -0.0304 0.0125 629 LHG b C14 +57441 C C14 B LHG QG . ? 0.8151 0.7165 0.6920 -0.0110 -0.0304 0.0124 629 LHG b C14 +57442 C C15 A LHG QG . ? 0.8457 0.7447 0.7195 -0.0103 -0.0288 0.0124 629 LHG b C15 +57443 C C15 B LHG QG . ? 0.8460 0.7451 0.7200 -0.0103 -0.0288 0.0125 629 LHG b C15 +57444 C C16 A LHG QG . ? 0.8595 0.7602 0.7360 -0.0104 -0.0264 0.0136 629 LHG b C16 +57445 C C16 B LHG QG . ? 0.8605 0.7612 0.7369 -0.0104 -0.0263 0.0137 629 LHG b C16 +57446 C C17 A LHG QG . ? 0.8783 0.7793 0.7568 -0.0113 -0.0261 0.0129 629 LHG b C17 +57447 C C17 B LHG QG . ? 0.8795 0.7804 0.7578 -0.0112 -0.0260 0.0130 629 LHG b C17 +57448 C C18 A LHG QG . ? 0.9382 0.8410 0.8195 -0.0114 -0.0240 0.0140 629 LHG b C18 +57449 C C18 B LHG QG . ? 0.9418 0.8447 0.8230 -0.0113 -0.0239 0.0141 629 LHG b C18 +57450 C C19 A LHG QG . ? 0.8346 0.7358 0.7133 -0.0102 -0.0223 0.0141 629 LHG b C19 +57451 C C19 B LHG QG . ? 0.8351 0.7362 0.7137 -0.0101 -0.0222 0.0142 629 LHG b C19 +57452 C C20 A LHG QG . ? 0.8332 0.7328 0.7117 -0.0106 -0.0227 0.0131 629 LHG b C20 +57453 C C20 B LHG QG . ? 0.8339 0.7334 0.7120 -0.0105 -0.0227 0.0131 629 LHG b C20 +57454 C C21 A LHG QG . ? 0.7699 0.6679 0.6458 -0.0091 -0.0209 0.0132 629 LHG b C21 +57455 C C21 B LHG QG . ? 0.7684 0.6667 0.6447 -0.0092 -0.0208 0.0133 629 LHG b C21 +57456 C C22 A LHG QG . ? 0.9222 0.8178 0.7968 -0.0093 -0.0213 0.0122 629 LHG b C22 +57457 C C22 B LHG QG . ? 0.9288 0.8249 0.8041 -0.0095 -0.0212 0.0123 629 LHG b C22 +57458 C C25 A LHG QG . ? 0.7898 0.7007 0.6784 -0.0116 -0.0367 0.0126 629 LHG b C25 +57459 C C25 B LHG QG . ? 0.7891 0.7000 0.6777 -0.0116 -0.0368 0.0126 629 LHG b C25 +57460 C C26 A LHG QG . ? 0.8578 0.7710 0.7509 -0.0131 -0.0352 0.0129 629 LHG b C26 +57461 C C26 B LHG QG . ? 0.8589 0.7720 0.7519 -0.0132 -0.0353 0.0127 629 LHG b C26 +57462 C C27 A LHG QG . ? 0.8124 0.7284 0.7098 -0.0143 -0.0368 0.0115 629 LHG b C27 +57463 C C27 B LHG QG . ? 0.8127 0.7288 0.7101 -0.0143 -0.0369 0.0115 629 LHG b C27 +57464 C C28 A LHG QG . ? 0.8102 0.7287 0.7120 -0.0154 -0.0355 0.0121 629 LHG b C28 +57465 C C28 B LHG QG . ? 0.8090 0.7275 0.7108 -0.0154 -0.0355 0.0120 629 LHG b C28 +57466 C C29 A LHG QG . ? 0.9331 0.8544 0.8391 -0.0166 -0.0368 0.0108 629 LHG b C29 +57467 C C29 B LHG QG . ? 0.9340 0.8554 0.8400 -0.0167 -0.0368 0.0107 629 LHG b C29 +57468 C C30 A LHG QG . ? 0.9013 0.8249 0.8108 -0.0167 -0.0364 0.0114 629 LHG b C30 +57469 C C30 B LHG QG . ? 0.9018 0.8255 0.8113 -0.0167 -0.0365 0.0114 629 LHG b C30 +57470 C C31 A LHG QG . ? 0.8526 0.7791 0.7667 -0.0183 -0.0366 0.0104 629 LHG b C31 +57471 C C31 B LHG QG . ? 0.8527 0.7793 0.7669 -0.0184 -0.0365 0.0104 629 LHG b C31 +57472 C C32 A LHG QG . ? 0.7347 0.6634 0.6518 -0.0182 -0.0363 0.0110 629 LHG b C32 +57473 C C32 B LHG QG . ? 0.7325 0.6613 0.6498 -0.0182 -0.0363 0.0110 629 LHG b C32 +57474 C C33 A LHG QG . ? 0.8381 0.7690 0.7593 -0.0198 -0.0354 0.0106 629 LHG b C33 +57475 C C33 B LHG QG . ? 0.8394 0.7706 0.7609 -0.0199 -0.0357 0.0103 629 LHG b C33 +57476 C C34 A LHG QG . ? 0.9217 0.8555 0.8465 -0.0197 -0.0363 0.0101 629 LHG b C34 +57477 C C34 B LHG QG . ? 0.9232 0.8571 0.8481 -0.0197 -0.0362 0.0102 629 LHG b C34 +57478 C C35 A LHG QG . ? 0.9666 0.9023 0.8949 -0.0210 -0.0349 0.0102 629 LHG b C35 +57479 C C35 B LHG QG . ? 0.9662 0.9019 0.8946 -0.0210 -0.0348 0.0102 629 LHG b C35 +57480 C C36 A LHG QG . ? 1.1069 1.0437 1.0373 -0.0228 -0.0348 0.0089 629 LHG b C36 +57481 C C36 B LHG QG . ? 1.1082 1.0450 1.0386 -0.0228 -0.0348 0.0089 629 LHG b C36 +57482 C C37 A LHG QG . ? 1.1029 1.0425 1.0375 -0.0238 -0.0343 0.0085 629 LHG b C37 +57483 C C37 B LHG QG . ? 1.1031 1.0426 1.0376 -0.0238 -0.0342 0.0085 629 LHG b C37 +57484 C C38 A LHG QG . ? 1.2503 1.1902 1.1864 -0.0258 -0.0333 0.0078 629 LHG b C38 +57485 C C38 B LHG QG . ? 1.2530 1.1928 1.1889 -0.0258 -0.0333 0.0077 629 LHG b C38 +57486 MG MG . CLA RG . ? 0.9630 0.8159 0.7403 0.1095 0.0450 -0.0126 501 CLA c MG +57487 C CHA . CLA RG . ? 0.9901 0.8245 0.7568 0.1134 0.0379 -0.0142 501 CLA c CHA +57488 C CHB . CLA RG . ? 0.8408 0.7073 0.6364 0.1023 0.0401 -0.0095 501 CLA c CHB +57489 C CHC . CLA RG . ? 0.9208 0.7872 0.7047 0.1039 0.0517 -0.0107 501 CLA c CHC +57490 C CHD . CLA RG . ? 0.9743 0.8081 0.7282 0.1159 0.0489 -0.0160 501 CLA c CHD +57491 N NA . CLA RG . ? 1.0086 0.8597 0.7894 0.1080 0.0399 -0.0119 501 CLA c NA +57492 C C1A . CLA RG . ? 0.8770 0.7211 0.6534 0.1099 0.0375 -0.0126 501 CLA c C1A +57493 C C2A . CLA RG . ? 0.9387 0.7840 0.7196 0.1083 0.0344 -0.0118 501 CLA c C2A +57494 C C3A . CLA RG . ? 0.8296 0.6853 0.6198 0.1050 0.0351 -0.0104 501 CLA c C3A +57495 C C4A . CLA RG . ? 0.8712 0.7293 0.6601 0.1051 0.0386 -0.0106 501 CLA c C4A +57496 C CMA . CLA RG . ? 0.8792 0.7437 0.6775 0.1079 0.0357 -0.0103 501 CLA c CMA +57497 C CAA . CLA RG . ? 0.8909 0.7269 0.6660 0.1048 0.0310 -0.0115 501 CLA c CAA +57498 C CBA . CLA RG . ? 0.9035 0.7364 0.6749 0.1005 0.0311 -0.0112 501 CLA c CBA +57499 C CGA . CLA RG . ? 0.9816 0.8210 0.7598 0.0956 0.0303 -0.0096 501 CLA c CGA +57500 O O1A . CLA RG . ? 0.8655 0.7049 0.6464 0.0929 0.0277 -0.0088 501 CLA c O1A +57501 O O2A . CLA RG . ? 0.9722 0.8175 0.7532 0.0939 0.0328 -0.0090 501 CLA c O2A +57502 N NB . CLA RG . ? 0.9473 0.8121 0.7357 0.1038 0.0456 -0.0104 501 CLA c NB +57503 C C1B . CLA RG . ? 1.0235 0.8935 0.8191 0.1016 0.0436 -0.0094 501 CLA c C1B +57504 C C2B . CLA RG . ? 0.9465 0.8259 0.7501 0.0984 0.0453 -0.0081 501 CLA c C2B +57505 C C3B . CLA RG . ? 1.0452 0.9243 0.8451 0.0989 0.0488 -0.0084 501 CLA c C3B +57506 C C4B . CLA RG . ? 1.0715 0.9413 0.8619 0.1023 0.0487 -0.0099 501 CLA c C4B +57507 C CMB . CLA RG . ? 0.8477 0.7347 0.6604 0.0954 0.0439 -0.0069 501 CLA c CMB +57508 C CAB . CLA RG . ? 0.9462 0.8324 0.7506 0.0964 0.0518 -0.0075 501 CLA c CAB +57509 C CBB . CLA RG . ? 1.0343 0.9166 0.8337 0.0938 0.0525 -0.0070 501 CLA c CBB +57510 N NC . CLA RG . ? 1.0069 0.8578 0.7775 0.1100 0.0494 -0.0132 501 CLA c NC +57511 C C1C . CLA RG . ? 0.9662 0.8231 0.7404 0.1073 0.0517 -0.0122 501 CLA c C1C +57512 C C2C . CLA RG . ? 1.1528 1.0057 0.9199 0.1079 0.0544 -0.0128 501 CLA c C2C +57513 C C3C . CLA RG . ? 1.1035 0.9469 0.8618 0.1115 0.0535 -0.0144 501 CLA c C3C +57514 C C4C . CLA RG . ? 0.9114 0.7544 0.6728 0.1124 0.0504 -0.0145 501 CLA c C4C +57515 C CMC . CLA RG . ? 0.9770 0.8341 0.7451 0.1056 0.0574 -0.0119 501 CLA c CMC +57516 C CAC . CLA RG . ? 1.0098 0.8453 0.7580 0.1136 0.0551 -0.0157 501 CLA c CAC +57517 C CBC . CLA RG . ? 0.8488 0.6755 0.5901 0.1098 0.0519 -0.0155 501 CLA c CBC +57518 N ND . CLA RG . ? 1.0132 0.8513 0.7770 0.1134 0.0438 -0.0146 501 CLA c ND +57519 C C1D . CLA RG . ? 1.0335 0.8645 0.7885 0.1163 0.0455 -0.0160 501 CLA c C1D +57520 C C2D . CLA RG . ? 1.1628 0.9841 0.9103 0.1193 0.0436 -0.0174 501 CLA c C2D +57521 C C3D . CLA RG . ? 1.0151 0.8381 0.7678 0.1180 0.0405 -0.0165 501 CLA c C3D +57522 C C4D . CLA RG . ? 1.0283 0.8609 0.7899 0.1148 0.0409 -0.0150 501 CLA c C4D +57523 C CMD . CLA RG . ? 0.9721 0.7834 0.7093 0.1228 0.0442 -0.0191 501 CLA c CMD +57524 C CAD . CLA RG . ? 0.9689 0.7869 0.7204 0.1189 0.0373 -0.0167 501 CLA c CAD +57525 O OBD . CLA RG . ? 0.9787 0.7874 0.7226 0.1216 0.0363 -0.0179 501 CLA c OBD +57526 C CBD . CLA RG . ? 1.2077 1.0329 0.9681 0.1161 0.0356 -0.0152 501 CLA c CBD +57527 C CGD . CLA RG . ? 0.9562 0.7859 0.7213 0.1205 0.0357 -0.0154 501 CLA c CGD +57528 O O1D . CLA RG . ? 1.1855 1.0252 0.9583 0.1222 0.0377 -0.0152 501 CLA c O1D +57529 O O2D . CLA RG . ? 1.1138 0.9361 0.8744 0.1232 0.0335 -0.0161 501 CLA c O2D +57530 C CED . CLA RG . ? 1.3162 1.1424 1.0797 0.1287 0.0345 -0.0168 501 CLA c CED +57531 C C1 . CLA RG . ? 1.0746 0.9266 0.8625 0.0897 0.0324 -0.0075 501 CLA c C1 +57532 C C2 . CLA RG . ? 1.0129 0.8717 0.8039 0.0896 0.0359 -0.0072 501 CLA c C2 +57533 C C3 . CLA RG . ? 0.9464 0.8055 0.7369 0.0858 0.0362 -0.0063 501 CLA c C3 +57534 C C4 . CLA RG . ? 0.8945 0.7479 0.6819 0.0817 0.0328 -0.0058 501 CLA c C4 +57535 C C5 . CLA RG . ? 1.0239 0.8892 0.8169 0.0857 0.0398 -0.0059 501 CLA c C5 +57536 C C6 . CLA RG . ? 0.8557 0.7290 0.6568 0.0819 0.0399 -0.0043 501 CLA c C6 +57537 C C7 . CLA RG . ? 0.9858 0.8646 0.7887 0.0820 0.0439 -0.0040 501 CLA c C7 +57538 C C8 . CLA RG . ? 0.9801 0.8677 0.7919 0.0788 0.0445 -0.0025 501 CLA c C8 +57539 C C9 . CLA RG . ? 0.9548 0.8498 0.7748 0.0807 0.0445 -0.0026 501 CLA c C9 +57540 C C10 . CLA RG . ? 0.9369 0.8283 0.7491 0.0782 0.0484 -0.0021 501 CLA c C10 +57541 C C11 . CLA RG . ? 1.0112 0.8965 0.8169 0.0752 0.0478 -0.0015 501 CLA c C11 +57542 C C12 . CLA RG . ? 1.0806 0.9696 0.8866 0.0743 0.0517 -0.0008 501 CLA c C12 +57543 C C13 . CLA RG . ? 0.9616 0.8430 0.7588 0.0728 0.0515 -0.0007 501 CLA c C13 +57544 C C14 . CLA RG . ? 0.8885 0.7686 0.6865 0.0683 0.0485 0.0006 501 CLA c C14 +57545 C C15 . CLA RG . ? 1.1261 1.0096 0.9216 0.0734 0.0560 -0.0004 501 CLA c C15 +57546 C C16 . CLA RG . ? 0.9944 0.8864 0.7976 0.0707 0.0582 0.0010 501 CLA c C16 +57547 C C17 . CLA RG . ? 0.9964 0.8894 0.7969 0.0708 0.0626 0.0014 501 CLA c C17 +57548 C C18 . CLA RG . ? 1.1095 1.0109 0.9180 0.0680 0.0649 0.0028 501 CLA c C18 +57549 C C19 . CLA RG . ? 1.0598 0.9636 0.8669 0.0686 0.0701 0.0030 501 CLA c C19 +57550 C C20 . CLA RG . ? 1.0394 0.9394 0.8485 0.0635 0.0622 0.0042 501 CLA c C20 +57551 MG MG . CLA SG . ? 0.9020 0.6927 0.6376 0.0741 0.0177 -0.0123 502 CLA c MG +57552 C CHA . CLA SG . ? 0.8654 0.6640 0.6087 0.0836 0.0218 -0.0122 502 CLA c CHA +57553 C CHB . CLA SG . ? 0.8765 0.6441 0.5937 0.0775 0.0147 -0.0162 502 CLA c CHB +57554 C CHC . CLA SG . ? 0.7693 0.5530 0.4964 0.0665 0.0141 -0.0128 502 CLA c CHC +57555 C CHD . CLA SG . ? 0.8706 0.6845 0.6232 0.0720 0.0228 -0.0086 502 CLA c CHD +57556 N NA . CLA SG . ? 0.9994 0.7834 0.7301 0.0797 0.0183 -0.0139 502 CLA c NA +57557 C C1A . CLA SG . ? 0.8560 0.6437 0.5905 0.0829 0.0197 -0.0136 502 CLA c C1A +57558 C C2A . CLA SG . ? 0.9368 0.7173 0.6659 0.0864 0.0192 -0.0149 502 CLA c C2A +57559 C C3A . CLA SG . ? 0.9106 0.6809 0.6313 0.0842 0.0170 -0.0161 502 CLA c C3A +57560 C C4A . CLA SG . ? 0.8722 0.6464 0.5952 0.0802 0.0167 -0.0153 502 CLA c C4A +57561 C CMA . CLA SG . ? 0.9377 0.7025 0.6575 0.0822 0.0140 -0.0162 502 CLA c CMA +57562 C CAA . CLA SG . ? 0.9931 0.7741 0.7197 0.0917 0.0224 -0.0158 502 CLA c CAA +57563 C CBA . CLA SG . ? 1.0364 0.8157 0.7578 0.0918 0.0242 -0.0165 502 CLA c CBA +57564 C CGA . CLA SG . ? 1.0256 0.8084 0.7471 0.0967 0.0279 -0.0169 502 CLA c CGA +57565 O O1A . CLA SG . ? 1.1065 0.8873 0.8264 0.1009 0.0286 -0.0178 502 CLA c O1A +57566 O O2A . CLA SG . ? 1.0031 0.7919 0.7266 0.0965 0.0306 -0.0164 502 CLA c O2A +57567 N NB . CLA SG . ? 0.8260 0.6040 0.5502 0.0722 0.0149 -0.0142 502 CLA c NB +57568 C C1B . CLA SG . ? 0.8139 0.5832 0.5315 0.0736 0.0137 -0.0157 502 CLA c C1B +57569 C C2B . CLA SG . ? 0.7994 0.5610 0.5102 0.0710 0.0113 -0.0170 502 CLA c C2B +57570 C C3B . CLA SG . ? 0.8793 0.6462 0.5933 0.0678 0.0111 -0.0159 502 CLA c C3B +57571 C C4B . CLA SG . ? 0.8202 0.5968 0.5423 0.0689 0.0135 -0.0143 502 CLA c C4B +57572 C CMB . CLA SG . ? 0.8768 0.6277 0.5793 0.0713 0.0096 -0.0188 502 CLA c CMB +57573 C CAB . CLA SG . ? 0.9403 0.7042 0.6508 0.0644 0.0090 -0.0164 502 CLA c CAB +57574 C CBB . CLA SG . ? 1.0992 0.8579 0.8078 0.0614 0.0058 -0.0172 502 CLA c CBB +57575 N NC . CLA SG . ? 0.8401 0.6373 0.5789 0.0704 0.0185 -0.0109 502 CLA c NC +57576 C C1C . CLA SG . ? 0.8177 0.6109 0.5525 0.0674 0.0166 -0.0113 502 CLA c C1C +57577 C C2C . CLA SG . ? 0.8137 0.6125 0.5521 0.0647 0.0171 -0.0100 502 CLA c C2C +57578 C C3C . CLA SG . ? 0.7945 0.6019 0.5403 0.0663 0.0198 -0.0087 502 CLA c C3C +57579 C C4C . CLA SG . ? 0.7806 0.5865 0.5262 0.0697 0.0204 -0.0095 502 CLA c C4C +57580 C CMC . CLA SG . ? 0.8226 0.6189 0.5579 0.0614 0.0152 -0.0100 502 CLA c CMC +57581 C CAC . CLA SG . ? 0.8290 0.6447 0.5811 0.0647 0.0214 -0.0071 502 CLA c CAC +57582 C CBC . CLA SG . ? 0.7683 0.5874 0.5268 0.0612 0.0189 -0.0060 502 CLA c CBC +57583 N ND . CLA SG . ? 0.7765 0.5799 0.5220 0.0768 0.0215 -0.0108 502 CLA c ND +57584 C C1D . CLA SG . ? 0.8097 0.6223 0.5623 0.0756 0.0232 -0.0093 502 CLA c C1D +57585 C C2D . CLA SG . ? 0.7268 0.5471 0.4863 0.0782 0.0253 -0.0087 502 CLA c C2D +57586 C C3D . CLA SG . ? 0.8023 0.6171 0.5581 0.0815 0.0246 -0.0099 502 CLA c C3D +57587 C C4D . CLA SG . ? 0.7589 0.5641 0.5068 0.0804 0.0225 -0.0110 502 CLA c C4D +57588 C CMD . CLA SG . ? 0.8488 0.6795 0.6167 0.0777 0.0275 -0.0074 502 CLA c CMD +57589 C CAD . CLA SG . ? 0.8142 0.6292 0.5712 0.0856 0.0251 -0.0105 502 CLA c CAD +57590 O OBD . CLA SG . ? 0.9380 0.7610 0.7018 0.0876 0.0268 -0.0099 502 CLA c OBD +57591 C CBD . CLA SG . ? 0.8512 0.6559 0.6002 0.0870 0.0233 -0.0118 502 CLA c CBD +57592 C CGD . CLA SG . ? 0.9295 0.7328 0.6810 0.0859 0.0206 -0.0114 502 CLA c CGD +57593 O O1D . CLA SG . ? 0.9453 0.7423 0.6927 0.0882 0.0196 -0.0123 502 CLA c O1D +57594 O O2D . CLA SG . ? 0.9412 0.7499 0.6996 0.0819 0.0190 -0.0099 502 CLA c O2D +57595 C CED . CLA SG . ? 0.9128 0.7207 0.6736 0.0814 0.0169 -0.0095 502 CLA c CED +57596 C C1 . CLA SG . ? 1.0692 0.8630 0.7943 0.1008 0.0343 -0.0167 502 CLA c C1 +57597 C C2 . CLA SG . ? 1.0933 0.8806 0.8093 0.1032 0.0361 -0.0181 502 CLA c C2 +57598 C C3 . CLA SG . ? 1.1261 0.9173 0.8420 0.1037 0.0392 -0.0179 502 CLA c C3 +57599 C C4 . CLA SG . ? 1.0382 0.8402 0.7630 0.1018 0.0411 -0.0162 502 CLA c C4 +57600 C C5 . CLA SG . ? 1.2095 0.9941 0.9160 0.1063 0.0411 -0.0194 502 CLA c C5 +57601 C C6 . CLA SG . ? 1.0314 0.8200 0.7389 0.1116 0.0451 -0.0201 502 CLA c C6 +57602 C C7 . CLA SG . ? 1.0233 0.8113 0.7330 0.1149 0.0442 -0.0206 502 CLA c C7 +57603 C C8 . CLA SG . ? 1.0776 0.8701 0.7892 0.1204 0.0478 -0.0214 502 CLA c C8 +57604 C C9 . CLA SG . ? 1.0249 0.8297 0.7461 0.1202 0.0508 -0.0201 502 CLA c C9 +57605 C C10 . CLA SG . ? 1.1330 0.9230 0.8453 0.1234 0.0460 -0.0220 502 CLA c C10 +57606 C C11 . CLA SG . ? 1.1343 0.9277 0.8479 0.1294 0.0491 -0.0229 502 CLA c C11 +57607 C C12 . CLA SG . ? 1.1959 0.9834 0.9070 0.1324 0.0468 -0.0238 502 CLA c C12 +57608 C C13 . CLA SG . ? 1.2481 1.0406 0.9625 0.1384 0.0493 -0.0245 502 CLA c C13 +57609 C C14 . CLA SG . ? 1.2969 1.0898 1.0152 0.1397 0.0467 -0.0242 502 CLA c C14 +57610 C C15 . CLA SG . ? 1.3437 1.1281 1.0485 0.1430 0.0511 -0.0265 502 CLA c C15 +57611 C C16 . CLA SG . ? 1.3797 1.1698 1.0880 0.1492 0.0540 -0.0273 502 CLA c C16 +57612 C C17 . CLA SG . ? 1.2914 1.0742 0.9904 0.1539 0.0563 -0.0293 502 CLA c C17 +57613 C C18 . CLA SG . ? 1.5217 1.3092 1.2240 0.1604 0.0585 -0.0302 502 CLA c C18 +57614 C C19 . CLA SG . ? 1.5960 1.3728 1.2877 0.1653 0.0590 -0.0322 502 CLA c C19 +57615 C C20 . CLA SG . ? 1.4190 1.2186 1.1288 0.1617 0.0628 -0.0299 502 CLA c C20 +57616 MG MG . CLA TG . ? 1.0889 0.8435 0.7717 0.1141 0.0369 -0.0246 503 CLA c MG +57617 C CHA . CLA TG . ? 1.1883 0.9457 0.8836 0.1090 0.0301 -0.0225 503 CLA c CHA +57618 C CHB . CLA TG . ? 1.1008 0.8610 0.7882 0.1267 0.0416 -0.0259 503 CLA c CHB +57619 C CHC . CLA TG . ? 1.1889 0.9469 0.8642 0.1182 0.0449 -0.0255 503 CLA c CHC +57620 C CHD . CLA TG . ? 1.0822 0.8368 0.7655 0.1006 0.0316 -0.0227 503 CLA c CHD +57621 N NA . CLA TG . ? 1.2758 1.0343 0.9661 0.1172 0.0360 -0.0241 503 CLA c NA +57622 C C1A . CLA TG . ? 1.1030 0.8612 0.7968 0.1150 0.0332 -0.0234 503 CLA c C1A +57623 C C2A . CLA TG . ? 1.2136 0.9721 0.9097 0.1187 0.0330 -0.0236 503 CLA c C2A +57624 C C3A . CLA TG . ? 1.0638 0.8238 0.7579 0.1244 0.0366 -0.0246 503 CLA c C3A +57625 C C4A . CLA TG . ? 1.1425 0.9020 0.8329 0.1226 0.0382 -0.0249 503 CLA c C4A +57626 C CMA . CLA TG . ? 1.0814 0.8311 0.7671 0.1286 0.0360 -0.0264 503 CLA c CMA +57627 C CAA . CLA TG . ? 0.9685 0.7364 0.6752 0.1174 0.0323 -0.0219 503 CLA c CAA +57628 C CBA . CLA TG . ? 1.0162 0.7961 0.7314 0.1169 0.0349 -0.0207 503 CLA c CBA +57629 C CGA . CLA TG . ? 1.1001 0.8874 0.8243 0.1130 0.0332 -0.0189 503 CLA c CGA +57630 O O1A . CLA TG . ? 1.1139 0.8982 0.8387 0.1111 0.0303 -0.0185 503 CLA c O1A +57631 O O2A . CLA TG . ? 0.9909 0.7890 0.7232 0.1113 0.0352 -0.0176 503 CLA c O2A +57632 N NB . CLA TG . ? 1.0653 0.8239 0.7471 0.1213 0.0425 -0.0256 503 CLA c NB +57633 C C1B . CLA TG . ? 1.3739 1.1341 1.0574 0.1261 0.0439 -0.0262 503 CLA c C1B +57634 C C2B . CLA TG . ? 1.1096 0.8720 0.7911 0.1309 0.0481 -0.0271 503 CLA c C2B +57635 C C3B . CLA TG . ? 1.3313 1.0928 1.0089 0.1282 0.0492 -0.0270 503 CLA c C3B +57636 C C4B . CLA TG . ? 1.1477 0.9070 0.8260 0.1224 0.0454 -0.0260 503 CLA c C4B +57637 C CMB . CLA TG . ? 1.1647 0.9293 0.8473 0.1370 0.0507 -0.0280 503 CLA c CMB +57638 C CAB . CLA TG . ? 1.1579 0.9205 0.8318 0.1311 0.0534 -0.0277 503 CLA c CAB +57639 C CBB . CLA TG . ? 1.3282 1.0945 1.0029 0.1286 0.0551 -0.0268 503 CLA c CBB +57640 N NC . CLA TG . ? 1.1783 0.9337 0.8578 0.1102 0.0378 -0.0242 503 CLA c NC +57641 C C1C . CLA TG . ? 1.0260 0.7835 0.7032 0.1125 0.0414 -0.0245 503 CLA c C1C +57642 C C2C . CLA TG . ? 1.2222 0.9815 0.8987 0.1090 0.0416 -0.0237 503 CLA c C2C +57643 C C3C . CLA TG . ? 1.0127 0.7709 0.6916 0.1040 0.0376 -0.0229 503 CLA c C3C +57644 C C4C . CLA TG . ? 1.1696 0.9255 0.8502 0.1051 0.0356 -0.0233 503 CLA c C4C +57645 C CMC . CLA TG . ? 1.2253 0.9867 0.8990 0.1101 0.0452 -0.0236 503 CLA c CMC +57646 C CAC . CLA TG . ? 0.9877 0.7470 0.6672 0.0990 0.0358 -0.0219 503 CLA c CAC +57647 C CBC . CLA TG . ? 1.0089 0.7793 0.6988 0.0972 0.0371 -0.0198 503 CLA c CBC +57648 N ND . CLA TG . ? 1.1626 0.9189 0.8509 0.1065 0.0323 -0.0229 503 CLA c ND +57649 C C1D . CLA TG . ? 1.1102 0.8658 0.7981 0.1014 0.0302 -0.0224 503 CLA c C1D +57650 C C2D . CLA TG . ? 1.0452 0.8009 0.7372 0.0972 0.0268 -0.0215 503 CLA c C2D +57651 C C3D . CLA TG . ? 1.1084 0.8647 0.8032 0.1003 0.0269 -0.0215 503 CLA c C3D +57652 C C4D . CLA TG . ? 1.0748 0.8316 0.7675 0.1055 0.0300 -0.0223 503 CLA c C4D +57653 C CMD . CLA TG . ? 0.9761 0.7316 0.6696 0.0916 0.0238 -0.0207 503 CLA c CMD +57654 C CAD . CLA TG . ? 1.0971 0.8539 0.7962 0.1002 0.0250 -0.0210 503 CLA c CAD +57655 O OBD . CLA TG . ? 0.9473 0.7037 0.6491 0.0960 0.0222 -0.0202 503 CLA c OBD +57656 C CBD . CLA TG . ? 1.1209 0.8780 0.8200 0.1056 0.0269 -0.0216 503 CLA c CBD +57657 C CGD . CLA TG . ? 1.0968 0.8434 0.7889 0.1070 0.0249 -0.0228 503 CLA c CGD +57658 O O1D . CLA TG . ? 1.0768 0.8228 0.7711 0.1082 0.0238 -0.0226 503 CLA c O1D +57659 O O2D . CLA TG . ? 1.0629 0.7992 0.7449 0.1069 0.0241 -0.0245 503 CLA c O2D +57660 C CED . CLA TG . ? 1.0082 0.7347 0.6837 0.1090 0.0228 -0.0258 503 CLA c CED +57661 C C1 . CLA TG . ? 0.9165 0.7207 0.6565 0.1072 0.0335 -0.0160 503 CLA c C1 +57662 C C2 . CLA TG . ? 0.8896 0.7045 0.6370 0.1062 0.0361 -0.0149 503 CLA c C2 +57663 C C3 . CLA TG . ? 1.0233 0.8415 0.7742 0.1013 0.0353 -0.0136 503 CLA c C3 +57664 C C4 . CLA TG . ? 0.8472 0.6591 0.5949 0.0969 0.0317 -0.0133 503 CLA c C4 +57665 C C5 . CLA TG . ? 1.0204 0.8487 0.7783 0.1001 0.0380 -0.0125 503 CLA c C5 +57666 C C6 . CLA TG . ? 1.1229 0.9501 0.8760 0.1006 0.0409 -0.0129 503 CLA c C6 +57667 C C7 . CLA TG . ? 1.2316 1.0684 0.9916 0.0986 0.0434 -0.0116 503 CLA c C7 +57668 C C8 . CLA TG . ? 1.0648 0.9051 0.8301 0.0934 0.0413 -0.0100 503 CLA c C8 +57669 C C9 . CLA TG . ? 0.9737 0.8222 0.7442 0.0917 0.0443 -0.0089 503 CLA c C9 +57670 C C10 . CLA TG . ? 0.9239 0.7558 0.6826 0.0900 0.0382 -0.0101 503 CLA c C10 +57671 C C11 . CLA TG . ? 0.9003 0.7278 0.6518 0.0895 0.0397 -0.0105 503 CLA c C11 +57672 C C12 . CLA TG . ? 1.0377 0.8546 0.7805 0.0883 0.0367 -0.0115 503 CLA c C12 +57673 C C13 . CLA TG . ? 0.9101 0.7262 0.6553 0.0836 0.0330 -0.0106 503 CLA c C13 +57674 C C14 . CLA TG . ? 0.8528 0.6747 0.6022 0.0800 0.0336 -0.0091 503 CLA c C14 +57675 C C15 . CLA TG . ? 0.8354 0.6413 0.5723 0.0822 0.0299 -0.0117 503 CLA c C15 +57676 C C16 . CLA TG . ? 0.8193 0.6187 0.5519 0.0853 0.0289 -0.0131 503 CLA c C16 +57677 C C17 . CLA TG . ? 0.7934 0.5831 0.5189 0.0831 0.0255 -0.0141 503 CLA c C17 +57678 C C18 . CLA TG . ? 0.9758 0.7592 0.6926 0.0833 0.0260 -0.0153 503 CLA c C18 +57679 C C19 . CLA TG . ? 0.9030 0.6846 0.6151 0.0883 0.0292 -0.0164 503 CLA c C19 +57680 C C20 . CLA TG . ? 0.9230 0.6970 0.6332 0.0812 0.0224 -0.0165 503 CLA c C20 +57681 MG MG . CLA UG . ? 0.9857 0.7068 0.6804 0.0620 -0.0017 -0.0214 504 CLA c MG +57682 C CHA . CLA UG . ? 0.9132 0.6157 0.6000 0.0591 -0.0053 -0.0228 504 CLA c CHA +57683 C CHB . CLA UG . ? 0.8901 0.6284 0.6034 0.0624 -0.0005 -0.0171 504 CLA c CHB +57684 C CHC . CLA UG . ? 1.0028 0.7409 0.7050 0.0621 0.0012 -0.0197 504 CLA c CHC +57685 C CHD . CLA UG . ? 0.9578 0.6595 0.6323 0.0599 -0.0045 -0.0264 504 CLA c CHD +57686 N NA . CLA UG . ? 0.9953 0.7162 0.6948 0.0610 -0.0028 -0.0201 504 CLA c NA +57687 C C1A . CLA UG . ? 0.9292 0.6425 0.6249 0.0601 -0.0040 -0.0207 504 CLA c C1A +57688 C C2A . CLA UG . ? 0.9301 0.6454 0.6305 0.0597 -0.0044 -0.0193 504 CLA c C2A +57689 C C3A . CLA UG . ? 0.8945 0.6211 0.6031 0.0611 -0.0029 -0.0176 504 CLA c C3A +57690 C C4A . CLA UG . ? 0.9306 0.6594 0.6377 0.0616 -0.0020 -0.0183 504 CLA c C4A +57691 C CMA . CLA UG . ? 0.8642 0.5913 0.5727 0.0664 -0.0011 -0.0172 504 CLA c CMA +57692 C CAA . CLA UG . ? 0.9488 0.6636 0.6517 0.0539 -0.0067 -0.0191 504 CLA c CAA +57693 C CBA . CLA UG . ? 0.8713 0.5943 0.5801 0.0504 -0.0073 -0.0184 504 CLA c CBA +57694 C CGA . CLA UG . ? 0.9146 0.6360 0.6245 0.0448 -0.0097 -0.0188 504 CLA c CGA +57695 O O1A . CLA UG . ? 0.8939 0.6094 0.6016 0.0427 -0.0109 -0.0192 504 CLA c O1A +57696 O O2A . CLA UG . ? 0.9250 0.6521 0.6386 0.0417 -0.0106 -0.0186 504 CLA c O2A +57697 N NB . CLA UG . ? 0.9384 0.6748 0.6450 0.0621 0.0000 -0.0188 504 CLA c NB +57698 C C1B . CLA UG . ? 0.9466 0.6888 0.6598 0.0628 0.0006 -0.0173 504 CLA c C1B +57699 C C2B . CLA UG . ? 1.0579 0.8107 0.7784 0.0634 0.0024 -0.0158 504 CLA c C2B +57700 C C3B . CLA UG . ? 0.9361 0.6884 0.6529 0.0632 0.0030 -0.0165 504 CLA c C3B +57701 C C4B . CLA UG . ? 0.9249 0.6669 0.6333 0.0624 0.0013 -0.0184 504 CLA c C4B +57702 C CMB . CLA UG . ? 0.9108 0.6721 0.6397 0.0641 0.0033 -0.0140 504 CLA c CMB +57703 C CAB . CLA UG . ? 0.9250 0.6848 0.6453 0.0636 0.0047 -0.0157 504 CLA c CAB +57704 C CBB . CLA UG . ? 1.0815 0.8476 0.8058 0.0668 0.0073 -0.0148 504 CLA c CBB +57705 N NC . CLA UG . ? 0.9348 0.6550 0.6242 0.0614 -0.0016 -0.0227 504 CLA c NC +57706 C C1C . CLA UG . ? 0.9829 0.7108 0.6764 0.0614 -0.0005 -0.0218 504 CLA c C1C +57707 C C2C . CLA UG . ? 1.0639 0.7894 0.7525 0.0603 -0.0011 -0.0229 504 CLA c C2C +57708 C C3C . CLA UG . ? 1.1461 0.8610 0.8266 0.0597 -0.0029 -0.0249 504 CLA c C3C +57709 C C4C . CLA UG . ? 1.0112 0.7236 0.6929 0.0604 -0.0030 -0.0246 504 CLA c C4C +57710 C CMC . CLA UG . ? 0.9424 0.6743 0.6332 0.0600 -0.0001 -0.0221 504 CLA c CMC +57711 C CAC . CLA UG . ? 1.0563 0.7643 0.7290 0.0585 -0.0043 -0.0269 504 CLA c CAC +57712 C CBC . CLA UG . ? 0.9563 0.6639 0.6310 0.0531 -0.0076 -0.0272 504 CLA c CBC +57713 N ND . CLA UG . ? 1.0423 0.7487 0.7261 0.0599 -0.0043 -0.0240 504 CLA c ND +57714 C C1D . CLA UG . ? 1.0336 0.7324 0.7094 0.0593 -0.0052 -0.0260 504 CLA c C1D +57715 C C2D . CLA UG . ? 1.1502 0.8383 0.8195 0.0580 -0.0069 -0.0276 504 CLA c C2D +57716 C C3D . CLA UG . ? 0.9984 0.6882 0.6724 0.0579 -0.0068 -0.0261 504 CLA c C3D +57717 C C4D . CLA UG . ? 1.0619 0.7622 0.7439 0.0591 -0.0053 -0.0242 504 CLA c C4D +57718 C CMD . CLA UG . ? 1.0287 0.7064 0.6889 0.0570 -0.0083 -0.0299 504 CLA c CMD +57719 C CAD . CLA UG . ? 1.0278 0.7125 0.7012 0.0572 -0.0075 -0.0259 504 CLA c CAD +57720 O OBD . CLA UG . ? 1.0144 0.6891 0.6811 0.0559 -0.0088 -0.0274 504 CLA c OBD +57721 C CBD . CLA UG . ? 1.0260 0.7184 0.7072 0.0580 -0.0067 -0.0238 504 CLA c CBD +57722 C CGD . CLA UG . ? 1.0843 0.7727 0.7626 0.0627 -0.0053 -0.0236 504 CLA c CGD +57723 O O1D . CLA UG . ? 1.0655 0.7539 0.7465 0.0624 -0.0056 -0.0225 504 CLA c O1D +57724 O O2D . CLA UG . ? 1.0607 0.7446 0.7327 0.0677 -0.0037 -0.0248 504 CLA c O2D +57725 C CED . CLA UG . ? 0.9931 0.6743 0.6631 0.0725 -0.0024 -0.0245 504 CLA c CED +57726 C C1 . CLA UG . ? 0.9416 0.6699 0.6582 0.0365 -0.0127 -0.0187 504 CLA c C1 +57727 C C2 . CLA UG . ? 1.0057 0.7436 0.7288 0.0355 -0.0125 -0.0175 504 CLA c C2 +57728 C C3 . CLA UG . ? 1.1680 0.9069 0.8900 0.0337 -0.0135 -0.0183 504 CLA c C3 +57729 C C4 . CLA UG . ? 1.1994 0.9301 0.9140 0.0324 -0.0151 -0.0205 504 CLA c C4 +57730 C C5 . CLA UG . ? 1.1817 0.9297 0.9098 0.0330 -0.0132 -0.0170 504 CLA c C5 +57731 C C6 . CLA UG . ? 1.5010 1.2503 1.2304 0.0287 -0.0155 -0.0176 504 CLA c C6 +57732 C C7 . CLA UG . ? 1.4956 1.2540 1.2313 0.0280 -0.0151 -0.0161 504 CLA c C7 +57733 C C8 . CLA UG . ? 1.5196 1.2792 1.2523 0.0310 -0.0137 -0.0162 504 CLA c C8 +57734 C C9 . CLA UG . ? 1.4080 1.1606 1.1330 0.0307 -0.0150 -0.0183 504 CLA c C9 +57735 C C10 . CLA UG . ? 1.5053 1.2734 1.2439 0.0300 -0.0134 -0.0148 504 CLA c C10 +57736 C C11 . CLA UG . ? 1.5622 1.3322 1.2985 0.0331 -0.0114 -0.0145 504 CLA c C11 +57737 C C12 . CLA UG . ? 1.4310 1.2092 1.1732 0.0320 -0.0110 -0.0129 504 CLA c C12 +57738 C C13 . CLA UG . ? 1.5260 1.3064 1.2661 0.0348 -0.0088 -0.0125 504 CLA c C13 +57739 C C14 . CLA UG . ? 1.5229 1.2984 1.2570 0.0387 -0.0068 -0.0134 504 CLA c C14 +57740 C C15 . CLA UG . ? 1.7684 1.5482 1.5057 0.0332 -0.0103 -0.0131 504 CLA c C15 +57741 C C16 . CLA UG . ? 1.9569 1.7441 1.7003 0.0313 -0.0104 -0.0114 504 CLA c C16 +57742 C C17 . CLA UG . ? 1.8569 1.6431 1.5973 0.0296 -0.0124 -0.0120 504 CLA c C17 +57743 C C18 . CLA UG . ? 1.2423 1.0354 0.9888 0.0277 -0.0127 -0.0104 504 CLA c C18 +57744 C C19 . CLA UG . ? 1.4415 1.2396 1.1902 0.0300 -0.0095 -0.0088 504 CLA c C19 +57745 C C20 . CLA UG . ? 1.4671 1.2588 1.2108 0.0258 -0.0153 -0.0112 504 CLA c C20 +57746 MG MG . CLA VG . ? 0.8345 0.7082 0.6332 0.0401 0.0345 0.0097 505 CLA c MG +57747 C CHA . CLA VG . ? 0.9137 0.7849 0.7026 0.0395 0.0414 0.0118 505 CLA c CHA +57748 C CHB . CLA VG . ? 0.8387 0.7129 0.6419 0.0328 0.0288 0.0120 505 CLA c CHB +57749 C CHC . CLA VG . ? 0.7966 0.6747 0.6065 0.0407 0.0294 0.0083 505 CLA c CHC +57750 C CHD . CLA VG . ? 0.9238 0.8002 0.7204 0.0484 0.0422 0.0074 505 CLA c CHD +57751 N NA . CLA VG . ? 0.9607 0.8338 0.7575 0.0367 0.0349 0.0116 505 CLA c NA +57752 C C1A . CLA VG . ? 0.8636 0.7347 0.6556 0.0369 0.0373 0.0122 505 CLA c C1A +57753 C C2A . CLA VG . ? 0.8158 0.6847 0.6055 0.0343 0.0359 0.0134 505 CLA c C2A +57754 C C3A . CLA VG . ? 0.8624 0.7325 0.6569 0.0324 0.0319 0.0133 505 CLA c C3A +57755 C C4A . CLA VG . ? 0.9191 0.7919 0.7177 0.0340 0.0319 0.0123 505 CLA c C4A +57756 C CMA . CLA VG . ? 0.8105 0.6739 0.5987 0.0322 0.0281 0.0125 505 CLA c CMA +57757 C CAA . CLA VG . ? 0.8815 0.7545 0.6742 0.0327 0.0391 0.0150 505 CLA c CAA +57758 C CBA . CLA VG . ? 0.8591 0.7397 0.6618 0.0312 0.0397 0.0157 505 CLA c CBA +57759 C CGA . CLA VG . ? 0.9047 0.7900 0.7114 0.0333 0.0426 0.0150 505 CLA c CGA +57760 O O1A . CLA VG . ? 0.9876 0.8737 0.7925 0.0346 0.0464 0.0150 505 CLA c O1A +57761 O O2A . CLA VG . ? 0.9730 0.8618 0.7858 0.0338 0.0408 0.0142 505 CLA c O2A +57762 N NB . CLA VG . ? 0.9158 0.7918 0.7216 0.0370 0.0298 0.0101 505 CLA c NB +57763 C C1B . CLA VG . ? 0.7852 0.6615 0.5924 0.0341 0.0280 0.0111 505 CLA c C1B +57764 C C2B . CLA VG . ? 0.7897 0.6685 0.6029 0.0324 0.0251 0.0112 505 CLA c C2B +57765 C C3B . CLA VG . ? 0.8381 0.7178 0.6531 0.0347 0.0253 0.0101 505 CLA c C3B +57766 C C4B . CLA VG . ? 0.8767 0.7546 0.6868 0.0375 0.0282 0.0095 505 CLA c C4B +57767 C CMB . CLA VG . ? 0.7504 0.6303 0.5668 0.0293 0.0225 0.0121 505 CLA c CMB +57768 C CAB . CLA VG . ? 0.9093 0.7911 0.7294 0.0342 0.0230 0.0098 505 CLA c CAB +57769 C CBB . CLA VG . ? 0.9706 0.8513 0.7904 0.0365 0.0226 0.0088 505 CLA c CBB +57770 N NC . CLA VG . ? 0.8593 0.7363 0.6621 0.0437 0.0356 0.0083 505 CLA c NC +57771 C C1C . CLA VG . ? 1.0077 0.8853 0.8141 0.0436 0.0329 0.0078 505 CLA c C1C +57772 C C2C . CLA VG . ? 1.0161 0.8936 0.8225 0.0469 0.0336 0.0065 505 CLA c C2C +57773 C C3C . CLA VG . ? 1.0590 0.9363 0.8617 0.0493 0.0374 0.0062 505 CLA c C3C +57774 C C4C . CLA VG . ? 0.9067 0.7837 0.7075 0.0469 0.0383 0.0074 505 CLA c C4C +57775 C CMC . CLA VG . ? 0.9611 0.8387 0.7703 0.0478 0.0312 0.0057 505 CLA c CMC +57776 C CAC . CLA VG . ? 0.8442 0.7214 0.6452 0.0533 0.0397 0.0049 505 CLA c CAC +57777 C CBC . CLA VG . ? 0.8724 0.7580 0.6805 0.0540 0.0432 0.0055 505 CLA c CBC +57778 N ND . CLA VG . ? 0.8855 0.7596 0.6799 0.0431 0.0403 0.0095 505 CLA c ND +57779 C C1D . CLA VG . ? 0.9404 0.8158 0.7342 0.0463 0.0433 0.0086 505 CLA c C1D +57780 C C2D . CLA VG . ? 1.0566 0.9318 0.8465 0.0474 0.0474 0.0089 505 CLA c C2D +57781 C C3D . CLA VG . ? 0.9543 0.8277 0.7422 0.0444 0.0467 0.0103 505 CLA c C3D +57782 C C4D . CLA VG . ? 0.7985 0.6717 0.5895 0.0422 0.0426 0.0105 505 CLA c C4D +57783 C CMD . CLA VG . ? 0.9042 0.7804 0.6923 0.0506 0.0515 0.0082 505 CLA c CMD +57784 C CAD . CLA VG . ? 0.9874 0.8590 0.7712 0.0430 0.0486 0.0115 505 CLA c CAD +57785 O OBD . CLA VG . ? 0.9767 0.8479 0.7569 0.0442 0.0525 0.0118 505 CLA c OBD +57786 C CBD . CLA VG . ? 0.9379 0.8081 0.7223 0.0399 0.0452 0.0125 505 CLA c CBD +57787 C CGD . CLA VG . ? 0.7882 0.6506 0.5630 0.0401 0.0439 0.0123 505 CLA c CGD +57788 O O1D . CLA VG . ? 0.9111 0.7720 0.6835 0.0383 0.0439 0.0135 505 CLA c O1D +57789 O O2D . CLA VG . ? 0.9461 0.8024 0.7137 0.0424 0.0425 0.0108 505 CLA c O2D +57790 C CED . CLA VG . ? 0.8490 0.6983 0.6082 0.0421 0.0406 0.0107 505 CLA c CED +57791 C C1 . CLA VG . ? 0.9596 0.8536 0.7771 0.0358 0.0434 0.0136 505 CLA c C1 +57792 C C2 . CLA VG . ? 0.9686 0.8657 0.7922 0.0357 0.0407 0.0131 505 CLA c C2 +57793 C C3 . CLA VG . ? 1.0630 0.9597 0.8865 0.0383 0.0401 0.0117 505 CLA c C3 +57794 C C4 . CLA VG . ? 1.0322 0.9257 0.8498 0.0416 0.0424 0.0107 505 CLA c C4 +57795 C C5 . CLA VG . ? 1.0379 0.9372 0.8670 0.0382 0.0374 0.0113 505 CLA c C5 +57796 C C6 . CLA VG . ? 0.9984 0.8970 0.8296 0.0350 0.0341 0.0121 505 CLA c C6 +57797 C C7 . CLA VG . ? 1.2205 1.1210 1.0565 0.0352 0.0314 0.0116 505 CLA c C7 +57798 C C8 . CLA VG . ? 0.8312 0.7340 0.6720 0.0320 0.0290 0.0126 505 CLA c C8 +57799 C C9 . CLA VG . ? 1.2486 1.1517 1.0925 0.0323 0.0262 0.0119 505 CLA c C9 +57800 C C10 . CLA VG . ? 1.0661 0.9759 0.9135 0.0306 0.0314 0.0136 505 CLA c C10 +57801 C C11 . CLA VG . ? 1.1964 1.1121 1.0496 0.0326 0.0329 0.0130 505 CLA c C11 +57802 C C12 . CLA VG . ? 1.0116 0.9345 0.8719 0.0308 0.0350 0.0139 505 CLA c C12 +57803 C C13 . CLA VG . ? 1.3059 1.2350 1.1713 0.0331 0.0373 0.0132 505 CLA c C13 +57804 C C14 . CLA VG . ? 1.2096 1.1425 1.0763 0.0327 0.0415 0.0137 505 CLA c C14 +57805 C C15 . CLA VG . ? 1.2692 1.2037 1.1423 0.0322 0.0356 0.0133 505 CLA c C15 +57806 C C16 . CLA VG . ? 1.2279 1.1655 1.1040 0.0353 0.0355 0.0121 505 CLA c C16 +57807 C C17 . CLA VG . ? 1.0627 1.0051 0.9459 0.0342 0.0334 0.0122 505 CLA c C17 +57808 C C18 . CLA VG . ? 1.1315 1.0782 1.0187 0.0373 0.0336 0.0112 505 CLA c C18 +57809 C C19 . CLA VG . ? 1.2835 1.2363 1.1742 0.0387 0.0375 0.0108 505 CLA c C19 +57810 C C20 . CLA VG . ? 1.2750 1.2259 1.1685 0.0363 0.0312 0.0113 505 CLA c C20 +57811 MG MG . CLA WG . ? 0.9623 0.8662 0.7570 0.0762 0.0855 0.0014 506 CLA c MG +57812 C CHA . CLA WG . ? 0.8423 0.7555 0.6441 0.0676 0.0921 0.0053 506 CLA c CHA +57813 C CHB . CLA WG . ? 0.8095 0.6946 0.5885 0.0705 0.0769 0.0030 506 CLA c CHB +57814 C CHC . CLA WG . ? 0.9284 0.8239 0.7191 0.0834 0.0780 -0.0020 506 CLA c CHC +57815 C CHD . CLA WG . ? 0.9220 0.8501 0.7385 0.0813 0.0936 -0.0004 506 CLA c CHD +57816 N NA . CLA WG . ? 0.8910 0.7909 0.6821 0.0703 0.0844 0.0038 506 CLA c NA +57817 C C1A . CLA WG . ? 0.8584 0.7619 0.6518 0.0676 0.0874 0.0051 506 CLA c C1A +57818 C C2A . CLA WG . ? 0.7948 0.6926 0.5829 0.0641 0.0858 0.0066 506 CLA c C2A +57819 C C3A . CLA WG . ? 0.8918 0.7810 0.6727 0.0652 0.0811 0.0058 506 CLA c C3A +57820 C C4A . CLA WG . ? 0.9343 0.8258 0.7180 0.0689 0.0808 0.0041 506 CLA c C4A +57821 C CMA . CLA WG . ? 0.9899 0.8708 0.7592 0.0664 0.0825 0.0056 506 CLA c CMA +57822 C CAA . CLA WG . ? 0.9617 0.8648 0.7582 0.0602 0.0837 0.0079 506 CLA c CAA +57823 C CBA . CLA WG . ? 1.0849 0.9879 0.8851 0.0603 0.0784 0.0073 506 CLA c CBA +57824 C CGA . CLA WG . ? 0.9749 0.8840 0.7843 0.0571 0.0764 0.0083 506 CLA c CGA +57825 O O1A . CLA WG . ? 1.0905 1.0028 0.9032 0.0540 0.0779 0.0097 506 CLA c O1A +57826 O O2A . CLA WG . ? 1.3119 1.2230 1.1264 0.0578 0.0726 0.0076 506 CLA c O2A +57827 N NB . CLA WG . ? 0.8511 0.7434 0.6374 0.0766 0.0786 0.0006 506 CLA c NB +57828 C C1B . CLA WG . ? 0.9386 0.8240 0.7190 0.0741 0.0757 0.0013 506 CLA c C1B +57829 C C2B . CLA WG . ? 0.9663 0.8446 0.7421 0.0749 0.0709 0.0004 506 CLA c C2B +57830 C C3B . CLA WG . ? 0.8542 0.7354 0.6333 0.0787 0.0714 -0.0011 506 CLA c C3B +57831 C C4B . CLA WG . ? 0.9422 0.8322 0.7278 0.0795 0.0762 -0.0008 506 CLA c C4B +57832 C CMB . CLA WG . ? 1.0510 0.9214 0.8204 0.0726 0.0667 0.0007 506 CLA c CMB +57833 C CAB . CLA WG . ? 0.8554 0.7320 0.6322 0.0812 0.0681 -0.0025 506 CLA c CAB +57834 C CBB . CLA WG . ? 0.9272 0.7950 0.6965 0.0808 0.0645 -0.0030 506 CLA c CBB +57835 N NC . CLA WG . ? 0.8274 0.7379 0.6295 0.0812 0.0856 -0.0006 506 CLA c NC +57836 C C1C . CLA WG . ? 0.8843 0.7897 0.6829 0.0841 0.0825 -0.0019 506 CLA c C1C +57837 C C2C . CLA WG . ? 0.8791 0.7896 0.6825 0.0882 0.0836 -0.0033 506 CLA c C2C +57838 C C3C . CLA WG . ? 0.9089 0.8294 0.7202 0.0877 0.0881 -0.0029 506 CLA c C3C +57839 C C4C . CLA WG . ? 0.9471 0.8665 0.7568 0.0832 0.0891 -0.0012 506 CLA c C4C +57840 C CMC . CLA WG . ? 0.9258 0.8322 0.7265 0.0921 0.0809 -0.0049 506 CLA c CMC +57841 C CAC . CLA WG . ? 1.0757 1.0053 0.8948 0.0910 0.0910 -0.0040 506 CLA c CAC +57842 C CBC . CLA WG . ? 0.9155 0.8538 0.7458 0.0886 0.0893 -0.0034 506 CLA c CBC +57843 N ND . CLA WG . ? 0.8942 0.8118 0.7008 0.0749 0.0913 0.0021 506 CLA c ND +57844 C C1D . CLA WG . ? 1.0018 0.9288 0.8168 0.0769 0.0946 0.0014 506 CLA c C1D +57845 C C2D . CLA WG . ? 0.9885 0.9233 0.8099 0.0743 0.0988 0.0024 506 CLA c C2D +57846 C C3D . CLA WG . ? 1.0451 0.9738 0.8607 0.0704 0.0978 0.0041 506 CLA c C3D +57847 C C4D . CLA WG . ? 0.8449 0.7643 0.6525 0.0711 0.0935 0.0038 506 CLA c C4D +57848 C CMD . CLA WG . ? 1.0055 0.9513 0.8365 0.0748 0.1031 0.0020 506 CLA c CMD +57849 C CAD . CLA WG . ? 0.9148 0.8430 0.7295 0.0661 0.0995 0.0059 506 CLA c CAD +57850 O OBD . CLA WG . ? 1.1361 1.0713 0.9567 0.0641 0.1034 0.0066 506 CLA c OBD +57851 C CBD . CLA WG . ? 1.0231 0.9415 0.8289 0.0645 0.0959 0.0067 506 CLA c CBD +57852 C CGD . CLA WG . ? 1.1158 1.0285 0.9122 0.0652 0.0996 0.0070 506 CLA c CGD +57853 O O1D . CLA WG . ? 1.0619 0.9698 0.8529 0.0626 0.0995 0.0083 506 CLA c O1D +57854 O O2D . CLA WG . ? 1.0695 0.9825 0.8630 0.0692 0.1033 0.0056 506 CLA c O2D +57855 C CED . CLA WG . ? 1.3315 1.2379 1.1148 0.0701 0.1063 0.0057 506 CLA c CED +57856 C C1 . CLA WG . ? 1.1696 1.0838 0.9905 0.0546 0.0695 0.0085 506 CLA c C1 +57857 C C2 . CLA WG . ? 1.1269 1.0506 0.9583 0.0549 0.0705 0.0082 506 CLA c C2 +57858 C C3 . CLA WG . ? 1.2584 1.1885 1.0964 0.0520 0.0725 0.0093 506 CLA c C3 +57859 C C4 . CLA WG . ? 1.0481 0.9754 0.8825 0.0487 0.0737 0.0109 506 CLA c C4 +57860 C C5 . CLA WG . ? 1.4630 1.4030 1.3117 0.0521 0.0734 0.0089 506 CLA c C5 +57861 C C6 . CLA WG . ? 1.3739 1.3162 1.2286 0.0500 0.0692 0.0093 506 CLA c C6 +57862 C C7 . CLA WG . ? 1.7139 1.6521 1.5662 0.0525 0.0651 0.0083 506 CLA c C7 +57863 C C8 . CLA WG . ? 1.7068 1.6485 1.5659 0.0512 0.0614 0.0084 506 CLA c C8 +57864 C C9 . CLA WG . ? 1.3781 1.3208 1.2399 0.0467 0.0604 0.0099 506 CLA c C9 +57865 C C10 . CLA WG . ? 1.4742 1.4092 1.3285 0.0530 0.0574 0.0076 506 CLA c C10 +57866 C C11 . CLA WG . ? 1.8696 1.8086 1.7298 0.0548 0.0551 0.0068 506 CLA c C11 +57867 C C12 . CLA WG . ? 1.7179 1.6502 1.5721 0.0580 0.0526 0.0056 506 CLA c C12 +57868 C C13 . CLA WG . ? 1.6691 1.6016 1.5267 0.0580 0.0486 0.0054 506 CLA c C13 +57869 C C14 . CLA WG . ? 1.6455 1.5750 1.5027 0.0540 0.0455 0.0065 506 CLA c C14 +57870 C C15 . CLA WG . ? 1.4000 1.3264 1.2522 0.0616 0.0468 0.0041 506 CLA c C15 +57871 C C16 . CLA WG . ? 1.3541 1.2826 1.2060 0.0660 0.0496 0.0029 506 CLA c C16 +57872 C C17 . CLA WG . ? 1.3034 1.2388 1.1628 0.0682 0.0492 0.0022 506 CLA c C17 +57873 C C18 . CLA WG . ? 1.4342 1.3797 1.3018 0.0676 0.0525 0.0025 506 CLA c C18 +57874 C C19 . CLA WG . ? 1.3151 1.2680 1.1914 0.0682 0.0510 0.0022 506 CLA c C19 +57875 C C20 . CLA WG . ? 1.4691 1.4163 1.3350 0.0709 0.0566 0.0015 506 CLA c C20 +57876 MG MG . CLA XG . ? 0.9982 0.8493 0.7494 0.0688 0.0591 0.0007 507 CLA c MG +57877 C CHA . CLA XG . ? 1.0228 0.8606 0.7601 0.0773 0.0579 -0.0038 507 CLA c CHA +57878 C CHB . CLA XG . ? 0.7882 0.6480 0.5565 0.0679 0.0530 0.0003 507 CLA c CHB +57879 C CHC . CLA XG . ? 1.1144 0.9801 0.8802 0.0617 0.0627 0.0049 507 CLA c CHC +57880 C CHD . CLA XG . ? 0.9630 0.8043 0.6943 0.0711 0.0668 0.0009 507 CLA c CHD +57881 N NA . CLA XG . ? 0.9765 0.8262 0.7296 0.0720 0.0561 -0.0013 507 CLA c NA +57882 C C1A . CLA XG . ? 0.9445 0.7881 0.6913 0.0750 0.0555 -0.0030 507 CLA c C1A +57883 C C2A . CLA XG . ? 0.9948 0.8377 0.7442 0.0763 0.0527 -0.0040 507 CLA c C2A +57884 C C3A . CLA XG . ? 1.0074 0.8573 0.7665 0.0732 0.0511 -0.0026 507 CLA c C3A +57885 C C4A . CLA XG . ? 0.9753 0.8287 0.7356 0.0709 0.0536 -0.0011 507 CLA c C4A +57886 C CMA . CLA XG . ? 0.8953 0.7524 0.6627 0.0752 0.0523 -0.0027 507 CLA c CMA +57887 C CAA . CLA XG . ? 0.8724 0.7058 0.6141 0.0766 0.0489 -0.0053 507 CLA c CAA +57888 C CBA . CLA XG . ? 0.9576 0.7905 0.7022 0.0780 0.0465 -0.0062 507 CLA c CBA +57889 C CGA . CLA XG . ? 1.0319 0.8694 0.7802 0.0819 0.0494 -0.0068 507 CLA c CGA +57890 O O1A . CLA XG . ? 1.1872 1.0248 0.9325 0.0848 0.0529 -0.0074 507 CLA c O1A +57891 O O2A . CLA XG . ? 1.1133 0.9554 0.8691 0.0825 0.0481 -0.0067 507 CLA c O2A +57892 N NB . CLA XG . ? 0.9806 0.8421 0.7459 0.0653 0.0578 0.0023 507 CLA c NB +57893 C C1B . CLA XG . ? 0.8493 0.7135 0.6205 0.0653 0.0553 0.0020 507 CLA c C1B +57894 C C2B . CLA XG . ? 0.9517 0.8242 0.7330 0.0627 0.0554 0.0033 507 CLA c C2B +57895 C C3B . CLA XG . ? 0.8872 0.7612 0.6675 0.0609 0.0583 0.0046 507 CLA c C3B +57896 C C4B . CLA XG . ? 0.9407 0.8077 0.7109 0.0627 0.0596 0.0039 507 CLA c C4B +57897 C CMB . CLA XG . ? 0.8764 0.7540 0.6661 0.0620 0.0531 0.0034 507 CLA c CMB +57898 C CAB . CLA XG . ? 0.9125 0.7935 0.7003 0.0579 0.0597 0.0062 507 CLA c CAB +57899 C CBB . CLA XG . ? 1.2841 1.1707 1.0752 0.0585 0.0641 0.0066 507 CLA c CBB +57900 N NC . CLA XG . ? 1.0388 0.8922 0.7881 0.0669 0.0638 0.0025 507 CLA c NC +57901 C C1C . CLA XG . ? 1.0054 0.8648 0.7613 0.0639 0.0648 0.0042 507 CLA c C1C +57902 C C2C . CLA XG . ? 0.9022 0.7612 0.6545 0.0628 0.0683 0.0054 507 CLA c C2C +57903 C C3C . CLA XG . ? 1.0669 0.9187 0.8090 0.0657 0.0694 0.0042 507 CLA c C3C +57904 C C4C . CLA XG . ? 0.9850 0.8339 0.7262 0.0679 0.0664 0.0025 507 CLA c C4C +57905 C CMC . CLA XG . ? 0.7719 0.6358 0.5288 0.0597 0.0704 0.0073 507 CLA c CMC +57906 C CAC . CLA XG . ? 1.0493 0.8972 0.7833 0.0662 0.0729 0.0047 507 CLA c CAC +57907 C CBC . CLA XG . ? 0.9716 0.8247 0.7086 0.0687 0.0782 0.0043 507 CLA c CBC +57908 N ND . CLA XG . ? 1.0215 0.8640 0.7596 0.0730 0.0618 -0.0010 507 CLA c ND +57909 C C1D . CLA XG . ? 0.9412 0.7800 0.6716 0.0738 0.0648 -0.0009 507 CLA c C1D +57910 C C2D . CLA XG . ? 1.0620 0.8941 0.7836 0.0775 0.0656 -0.0027 507 CLA c C2D +57911 C C3D . CLA XG . ? 1.1055 0.9374 0.8304 0.0788 0.0627 -0.0039 507 CLA c C3D +57912 C C4D . CLA XG . ? 0.9986 0.8366 0.7327 0.0762 0.0608 -0.0028 507 CLA c C4D +57913 C CMD . CLA XG . ? 1.0563 0.8824 0.7679 0.0797 0.0683 -0.0033 507 CLA c CMD +57914 C CAD . CLA XG . ? 1.2320 1.0595 0.9537 0.0820 0.0612 -0.0058 507 CLA c CAD +57915 O OBD . CLA XG . ? 0.9947 0.8161 0.7081 0.0850 0.0624 -0.0072 507 CLA c OBD +57916 C CBD . CLA XG . ? 1.0767 0.9078 0.8062 0.0811 0.0582 -0.0057 507 CLA c CBD +57917 C CGD . CLA XG . ? 0.8830 0.7180 0.6164 0.0848 0.0604 -0.0067 507 CLA c CGD +57918 O O1D . CLA XG . ? 0.9705 0.8002 0.6989 0.0878 0.0597 -0.0083 507 CLA c O1D +57919 O O2D . CLA XG . ? 0.9632 0.8082 0.7061 0.0853 0.0635 -0.0059 507 CLA c O2D +57920 C CED . CLA XG . ? 0.9104 0.7585 0.6561 0.0893 0.0656 -0.0070 507 CLA c CED +57921 C C1 . CLA XG . ? 0.9903 0.8359 0.7489 0.0866 0.0504 -0.0076 507 CLA c C1 +57922 C C2 . CLA XG . ? 0.9982 0.8528 0.7629 0.0871 0.0547 -0.0068 507 CLA c C2 +57923 C C3 . CLA XG . ? 1.0333 0.8964 0.8072 0.0878 0.0556 -0.0064 507 CLA c C3 +57924 C C4 . CLA XG . ? 1.2273 1.0909 1.0053 0.0882 0.0523 -0.0066 507 CLA c C4 +57925 C C5 . CLA XG . ? 0.9307 0.8027 0.7105 0.0882 0.0600 -0.0057 507 CLA c C5 +57926 C C6 . CLA XG . ? 0.9647 0.8466 0.7556 0.0880 0.0603 -0.0052 507 CLA c C6 +57927 C C7 . CLA XG . ? 1.0695 0.9597 0.8655 0.0884 0.0650 -0.0048 507 CLA c C7 +57928 C C8 . CLA XG . ? 0.9899 0.8893 0.7962 0.0854 0.0650 -0.0034 507 CLA c C8 +57929 C C9 . CLA XG . ? 1.0323 0.9360 0.8453 0.0871 0.0628 -0.0039 507 CLA c C9 +57930 C C10 . CLA XG . ? 1.0430 0.9500 0.8536 0.0853 0.0699 -0.0030 507 CLA c C10 +57931 C C11 . CLA XG . ? 0.9208 0.8358 0.7404 0.0814 0.0700 -0.0016 507 CLA c C11 +57932 C C12 . CLA XG . ? 1.0656 0.9838 0.8854 0.0797 0.0745 -0.0007 507 CLA c C12 +57933 C C13 . CLA XG . ? 0.9611 0.8875 0.7899 0.0759 0.0751 0.0006 507 CLA c C13 +57934 C C14 . CLA XG . ? 1.1966 1.1319 1.0354 0.0773 0.0748 0.0001 507 CLA c C14 +57935 C C15 . CLA XG . ? 1.0398 0.9692 0.8684 0.0747 0.0800 0.0013 507 CLA c C15 +57936 C C16 . CLA XG . ? 0.9828 0.9159 0.8160 0.0698 0.0803 0.0030 507 CLA c C16 +57937 C C17 . CLA XG . ? 0.9233 0.8595 0.7563 0.0689 0.0856 0.0036 507 CLA c C17 +57938 C C18 . CLA XG . ? 1.1330 1.0723 0.9702 0.0640 0.0859 0.0053 507 CLA c C18 +57939 C C19 . CLA XG . ? 1.1727 1.1143 1.0090 0.0628 0.0913 0.0060 507 CLA c C19 +57940 C C20 . CLA XG . ? 1.1097 1.0410 0.9409 0.0613 0.0818 0.0064 507 CLA c C20 +57941 MG MG . CLA YG . ? 0.9020 0.6984 0.6197 0.0458 0.0092 -0.0056 508 CLA c MG +57942 C CHA . CLA YG . ? 0.9698 0.7595 0.6767 0.0425 0.0034 -0.0059 508 CLA c CHA +57943 C CHB . CLA YG . ? 0.9579 0.7428 0.6563 0.0528 0.0143 -0.0079 508 CLA c CHB +57944 C CHC . CLA YG . ? 0.9716 0.7715 0.6977 0.0495 0.0124 -0.0064 508 CLA c CHC +57945 C CHD . CLA YG . ? 0.8321 0.6379 0.5679 0.0382 0.0026 -0.0041 508 CLA c CHD +57946 N NA . CLA YG . ? 1.0562 0.8446 0.7609 0.0472 0.0089 -0.0067 508 CLA c NA +57947 C C1A . CLA YG . ? 0.9767 0.7634 0.6783 0.0458 0.0068 -0.0066 508 CLA c C1A +57948 C C2A . CLA YG . ? 0.9563 0.7371 0.6478 0.0477 0.0074 -0.0073 508 CLA c C2A +57949 C C3A . CLA YG . ? 0.9737 0.7533 0.6629 0.0509 0.0112 -0.0079 508 CLA c C3A +57950 C C4A . CLA YG . ? 0.9404 0.7250 0.6385 0.0502 0.0115 -0.0074 508 CLA c C4A +57951 C CMA . CLA YG . ? 0.8453 0.6275 0.5335 0.0524 0.0155 -0.0063 508 CLA c CMA +57952 C CAA . CLA YG . ? 0.8378 0.6119 0.5233 0.0471 0.0032 -0.0096 508 CLA c CAA +57953 C CBA . CLA YG . ? 0.9711 0.7438 0.6590 0.0469 0.0019 -0.0110 508 CLA c CBA +57954 C CGA . CLA YG . ? 0.9966 0.7629 0.6794 0.0459 -0.0022 -0.0133 508 CLA c CGA +57955 O O1A . CLA YG . ? 1.0179 0.7788 0.6926 0.0468 -0.0033 -0.0144 508 CLA c O1A +57956 O O2A . CLA YG . ? 0.9788 0.7453 0.6662 0.0439 -0.0050 -0.0142 508 CLA c O2A +57957 N NB . CLA YG . ? 0.9771 0.7701 0.6903 0.0503 0.0128 -0.0070 508 CLA c NB +57958 C C1B . CLA YG . ? 1.0702 0.8592 0.7760 0.0530 0.0150 -0.0077 508 CLA c C1B +57959 C C2B . CLA YG . ? 1.0682 0.8567 0.7732 0.0563 0.0179 -0.0084 508 CLA c C2B +57960 C C3B . CLA YG . ? 1.0627 0.8557 0.7761 0.0553 0.0171 -0.0079 508 CLA c C3B +57961 C C4B . CLA YG . ? 0.9582 0.7536 0.6759 0.0515 0.0140 -0.0071 508 CLA c C4B +57962 C CMB . CLA YG . ? 0.9130 0.6976 0.6107 0.0599 0.0209 -0.0093 508 CLA c CMB +57963 C CAB . CLA YG . ? 1.0339 0.8286 0.7505 0.0576 0.0190 -0.0083 508 CLA c CAB +57964 C CBB . CLA YG . ? 0.9843 0.7816 0.7010 0.0606 0.0230 -0.0079 508 CLA c CBB +57965 N NC . CLA YG . ? 0.9504 0.7521 0.6790 0.0440 0.0078 -0.0053 508 CLA c NC +57966 C C1C . CLA YG . ? 0.9175 0.7200 0.6483 0.0458 0.0094 -0.0056 508 CLA c C1C +57967 C C2C . CLA YG . ? 0.9186 0.7248 0.6571 0.0442 0.0080 -0.0052 508 CLA c C2C +57968 C C3C . CLA YG . ? 0.8824 0.6903 0.6236 0.0408 0.0053 -0.0045 508 CLA c C3C +57969 C C4C . CLA YG . ? 0.9061 0.7111 0.6410 0.0410 0.0053 -0.0046 508 CLA c C4C +57970 C CMC . CLA YG . ? 0.7415 0.5491 0.4836 0.0457 0.0091 -0.0054 508 CLA c CMC +57971 C CAC . CLA YG . ? 0.8604 0.6723 0.6091 0.0379 0.0030 -0.0038 508 CLA c CAC +57972 C CBC . CLA YG . ? 0.8554 0.6623 0.6018 0.0361 -0.0007 -0.0054 508 CLA c CBC +57973 N ND . CLA YG . ? 0.8655 0.6633 0.5868 0.0413 0.0043 -0.0051 508 CLA c ND +57974 C C1D . CLA YG . ? 0.9329 0.7347 0.6616 0.0384 0.0019 -0.0045 508 CLA c C1D +57975 C C2D . CLA YG . ? 0.9279 0.7296 0.6563 0.0360 -0.0012 -0.0043 508 CLA c C2D +57976 C C3D . CLA YG . ? 1.0074 0.8043 0.7270 0.0377 -0.0006 -0.0049 508 CLA c C3D +57977 C C4D . CLA YG . ? 0.9576 0.7525 0.6737 0.0406 0.0026 -0.0053 508 CLA c C4D +57978 C CMD . CLA YG . ? 0.7635 0.5687 0.4981 0.0329 -0.0041 -0.0038 508 CLA c CMD +57979 C CAD . CLA YG . ? 1.0347 0.8278 0.7474 0.0377 -0.0021 -0.0052 508 CLA c CAD +57980 O OBD . CLA YG . ? 0.9017 0.6954 0.6153 0.0356 -0.0050 -0.0049 508 CLA c OBD +57981 C CBD . CLA YG . ? 1.0577 0.8461 0.7622 0.0407 0.0005 -0.0057 508 CLA c CBD +57982 C CGD . CLA YG . ? 0.9826 0.7737 0.6867 0.0413 0.0035 -0.0038 508 CLA c CGD +57983 O O1D . CLA YG . ? 0.9482 0.7450 0.6590 0.0399 0.0044 -0.0021 508 CLA c O1D +57984 O O2D . CLA YG . ? 0.9169 0.7035 0.6122 0.0437 0.0055 -0.0041 508 CLA c O2D +57985 C CED . CLA YG . ? 0.8489 0.6381 0.5440 0.0444 0.0091 -0.0022 508 CLA c CED +57986 C C1 . CLA YG . ? 0.9272 0.6877 0.6098 0.0427 -0.0087 -0.0164 508 CLA c C1 +57987 C C2 . CLA YG . ? 0.9564 0.7157 0.6421 0.0419 -0.0096 -0.0174 508 CLA c C2 +57988 C C3 . CLA YG . ? 1.1212 0.8806 0.8103 0.0388 -0.0132 -0.0181 508 CLA c C3 +57989 C C4 . CLA YG . ? 1.0353 0.7962 0.7253 0.0362 -0.0166 -0.0181 508 CLA c C4 +57990 C C5 . CLA YG . ? 1.0760 0.8338 0.7677 0.0380 -0.0139 -0.0190 508 CLA c C5 +57991 C C6 . CLA YG . ? 1.0921 0.8564 0.7935 0.0354 -0.0146 -0.0176 508 CLA c C6 +57992 C C7 . CLA YG . ? 1.2387 1.0013 0.9427 0.0345 -0.0153 -0.0184 508 CLA c C7 +57993 C C8 . CLA YG . ? 1.3090 1.0786 1.0225 0.0333 -0.0143 -0.0165 508 CLA c C8 +57994 C C9 . CLA YG . ? 1.3443 1.1193 1.0633 0.0303 -0.0162 -0.0154 508 CLA c C9 +57995 C C10 . CLA YG . ? 1.4411 1.2084 1.1566 0.0320 -0.0154 -0.0173 508 CLA c C10 +57996 C C11 . CLA YG . ? 1.1918 0.9553 0.9039 0.0352 -0.0130 -0.0178 508 CLA c C11 +57997 C C12 . CLA YG . ? 1.5211 1.2829 1.2361 0.0335 -0.0142 -0.0182 508 CLA c C12 +57998 C C13 . CLA YG . ? 1.3125 1.0699 1.0240 0.0366 -0.0122 -0.0188 508 CLA c C13 +57999 C C14 . CLA YG . ? 1.4570 1.2199 1.1725 0.0396 -0.0087 -0.0170 508 CLA c C14 +58000 C C15 . CLA YG . ? 1.8738 1.6283 1.5871 0.0346 -0.0139 -0.0195 508 CLA c C15 +58001 C C16 . CLA YG . ? 2.1008 1.8520 1.8127 0.0307 -0.0175 -0.0209 508 CLA c C16 +58002 C C17 . CLA YG . ? 2.1106 1.8538 1.8134 0.0314 -0.0187 -0.0232 508 CLA c C17 +58003 C C18 . CLA YG . ? 2.1219 1.8604 1.8232 0.0277 -0.0220 -0.0250 508 CLA c C18 +58004 C C19 . CLA YG . ? 1.8863 1.6228 1.5834 0.0263 -0.0245 -0.0265 508 CLA c C19 +58005 C C20 . CLA YG . ? 1.8204 1.5510 1.5168 0.0286 -0.0218 -0.0264 508 CLA c C20 +58006 MG MG . CLA ZG . ? 0.9619 0.7429 0.6479 0.0685 0.0304 -0.0104 509 CLA c MG +58007 C CHA . CLA ZG . ? 0.8854 0.6828 0.5907 0.0717 0.0365 -0.0088 509 CLA c CHA +58008 C CHB . CLA ZG . ? 0.8980 0.6680 0.5805 0.0693 0.0240 -0.0142 509 CLA c CHB +58009 C CHC . CLA ZG . ? 0.7779 0.5462 0.4493 0.0641 0.0227 -0.0117 509 CLA c CHC +58010 C CHD . CLA ZG . ? 0.9614 0.7551 0.6538 0.0660 0.0372 -0.0056 509 CLA c CHD +58011 N NA . CLA ZG . ? 0.9259 0.7091 0.6186 0.0702 0.0302 -0.0113 509 CLA c NA +58012 C C1A . CLA ZG . ? 0.8144 0.6038 0.5139 0.0717 0.0328 -0.0106 509 CLA c C1A +58013 C C2A . CLA ZG . ? 0.8595 0.6475 0.5607 0.0735 0.0319 -0.0117 509 CLA c C2A +58014 C C3A . CLA ZG . ? 0.9489 0.7278 0.6425 0.0725 0.0280 -0.0133 509 CLA c C3A +58015 C C4A . CLA ZG . ? 0.8223 0.5996 0.5117 0.0705 0.0274 -0.0129 509 CLA c C4A +58016 C CMA . CLA ZG . ? 0.8799 0.6593 0.5786 0.0696 0.0242 -0.0132 509 CLA c CMA +58017 C CAA . CLA ZG . ? 0.8886 0.6762 0.5874 0.0780 0.0355 -0.0126 509 CLA c CAA +58018 C CBA . CLA ZG . ? 0.9390 0.7239 0.6381 0.0801 0.0343 -0.0138 509 CLA c CBA +58019 C CGA . CLA ZG . ? 0.9561 0.7488 0.6656 0.0795 0.0344 -0.0127 509 CLA c CGA +58020 O O1A . CLA ZG . ? 1.2556 1.0559 0.9718 0.0782 0.0361 -0.0111 509 CLA c O1A +58021 O O2A . CLA ZG . ? 1.2752 1.0660 0.9866 0.0802 0.0324 -0.0134 509 CLA c O2A +58022 N NB . CLA ZG . ? 0.9263 0.6973 0.6049 0.0667 0.0243 -0.0126 509 CLA c NB +58023 C C1B . CLA ZG . ? 0.9101 0.6768 0.5870 0.0675 0.0224 -0.0142 509 CLA c C1B +58024 C C2B . CLA ZG . ? 0.8553 0.6135 0.5241 0.0666 0.0187 -0.0161 509 CLA c C2B +58025 C C3B . CLA ZG . ? 0.9483 0.7067 0.6142 0.0651 0.0183 -0.0153 509 CLA c C3B +58026 C C4B . CLA ZG . ? 0.8589 0.6252 0.5313 0.0653 0.0219 -0.0131 509 CLA c C4B +58027 C CMB . CLA ZG . ? 0.9199 0.6713 0.5846 0.0671 0.0162 -0.0182 509 CLA c CMB +58028 C CAB . CLA ZG . ? 1.1075 0.8597 0.7657 0.0638 0.0152 -0.0164 509 CLA c CAB +58029 C CBB . CLA ZG . ? 1.1080 0.8546 0.7630 0.0625 0.0112 -0.0181 509 CLA c CBB +58030 N NC . CLA ZG . ? 0.9337 0.7148 0.6164 0.0658 0.0301 -0.0089 509 CLA c NC +58031 C C1C . CLA ZG . ? 0.8916 0.6668 0.5679 0.0643 0.0267 -0.0096 509 CLA c C1C +58032 C C2C . CLA ZG . ? 0.8752 0.6511 0.5496 0.0628 0.0269 -0.0083 509 CLA c C2C +58033 C C3C . CLA ZG . ? 0.9303 0.7134 0.6107 0.0633 0.0313 -0.0065 509 CLA c C3C +58034 C C4C . CLA ZG . ? 0.8237 0.6097 0.5091 0.0651 0.0329 -0.0070 509 CLA c C4C +58035 C CMC . CLA ZG . ? 1.0036 0.7741 0.6713 0.0612 0.0234 -0.0088 509 CLA c CMC +58036 C CAC . CLA ZG . ? 0.8792 0.6657 0.5604 0.0622 0.0337 -0.0045 509 CLA c CAC +58037 C CBC . CLA ZG . ? 0.9787 0.7694 0.6669 0.0587 0.0308 -0.0032 509 CLA c CBC +58038 N ND . CLA ZG . ? 0.9263 0.7190 0.6227 0.0684 0.0354 -0.0078 509 CLA c ND +58039 C C1D . CLA ZG . ? 0.9027 0.6999 0.6009 0.0676 0.0383 -0.0061 509 CLA c C1D +58040 C C2D . CLA ZG . ? 0.9029 0.7084 0.6091 0.0684 0.0422 -0.0049 509 CLA c C2D +58041 C C3D . CLA ZG . ? 0.8951 0.7008 0.6044 0.0702 0.0413 -0.0061 509 CLA c C3D +58042 C C4D . CLA ZG . ? 0.9387 0.7368 0.6419 0.0700 0.0375 -0.0076 509 CLA c C4D +58043 C CMD . CLA ZG . ? 0.9874 0.7996 0.6980 0.0678 0.0461 -0.0031 509 CLA c CMD +58044 C CAD . CLA ZG . ? 0.9012 0.7120 0.6172 0.0722 0.0428 -0.0063 509 CLA c CAD +58045 O OBD . CLA ZG . ? 1.0288 0.8472 0.7516 0.0728 0.0461 -0.0053 509 CLA c OBD +58046 C CBD . CLA ZG . ? 0.9752 0.7807 0.6887 0.0733 0.0398 -0.0080 509 CLA c CBD +58047 C CGD . CLA ZG . ? 1.0748 0.8848 0.7970 0.0711 0.0373 -0.0073 509 CLA c CGD +58048 O O1D . CLA ZG . ? 1.0268 0.8415 0.7549 0.0726 0.0384 -0.0072 509 CLA c O1D +58049 O O2D . CLA ZG . ? 0.9918 0.8006 0.7151 0.0672 0.0333 -0.0067 509 CLA c O2D +58050 C CED . CLA ZG . ? 1.1626 0.9757 0.8939 0.0652 0.0312 -0.0060 509 CLA c CED +58051 C C1 . CLA ZG . ? 1.1720 0.9674 0.8885 0.0832 0.0343 -0.0133 509 CLA c C1 +58052 C C2 . CLA ZG . ? 1.0027 0.8077 0.7264 0.0841 0.0380 -0.0120 509 CLA c C2 +58053 C C3 . CLA ZG . ? 1.1089 0.9158 0.8325 0.0883 0.0413 -0.0126 509 CLA c C3 +58054 C C4 . CLA ZG . ? 1.0446 0.8437 0.7609 0.0919 0.0410 -0.0145 509 CLA c C4 +58055 C C5 . CLA ZG . ? 1.1984 1.0150 0.9291 0.0894 0.0452 -0.0115 509 CLA c C5 +58056 C C6 . CLA ZG . ? 1.3630 1.1794 1.0891 0.0914 0.0492 -0.0118 509 CLA c C6 +58057 C C7 . CLA ZG . ? 1.3152 1.1234 1.0317 0.0901 0.0481 -0.0124 509 CLA c C7 +58058 C C8 . CLA ZG . ? 1.2006 1.0107 0.9145 0.0906 0.0520 -0.0119 509 CLA c C8 +58059 C C9 . CLA ZG . ? 1.2173 1.0216 0.9226 0.0947 0.0544 -0.0135 509 CLA c C9 +58060 C C10 . CLA ZG . ? 1.3882 1.1958 1.0991 0.0866 0.0500 -0.0110 509 CLA c C10 +58061 C C11 . CLA ZG . ? 1.1479 0.9480 0.8481 0.0875 0.0509 -0.0119 509 CLA c C11 +58062 C C12 . CLA ZG . ? 1.0703 0.8722 0.7701 0.0844 0.0515 -0.0103 509 CLA c C12 +58063 C C13 . CLA ZG . ? 1.2579 1.0509 0.9472 0.0837 0.0496 -0.0112 509 CLA c C13 +58064 C C14 . CLA ZG . ? 1.2187 1.0047 0.9044 0.0827 0.0446 -0.0125 509 CLA c C14 +58065 C C15 . CLA ZG . ? 1.4516 1.2464 1.1412 0.0804 0.0495 -0.0095 509 CLA c C15 +58066 C C16 . CLA ZG . ? 1.2806 1.0814 0.9726 0.0812 0.0546 -0.0082 509 CLA c C16 +58067 C C17 . CLA ZG . ? 1.2382 1.0366 0.9253 0.0790 0.0548 -0.0071 509 CLA c C17 +58068 C C18 . CLA ZG . ? 1.1848 0.9752 0.8602 0.0814 0.0559 -0.0084 509 CLA c C18 +58069 C C19 . CLA ZG . ? 1.3315 1.1140 0.9996 0.0795 0.0512 -0.0091 509 CLA c C19 +58070 C C20 . CLA ZG . ? 1.1555 0.9480 0.8287 0.0819 0.0607 -0.0073 509 CLA c C20 +58071 MG MG . CLA AH . ? 0.9782 0.7369 0.6688 0.0639 0.0111 -0.0178 510 CLA c MG +58072 C CHA . CLA AH . ? 0.9656 0.7190 0.6489 0.0569 0.0046 -0.0187 510 CLA c CHA +58073 C CHB . CLA AH . ? 0.8681 0.6468 0.5749 0.0615 0.0151 -0.0130 510 CLA c CHB +58074 C CHC . CLA AH . ? 0.8350 0.5999 0.5350 0.0701 0.0156 -0.0170 510 CLA c CHC +58075 C CHD . CLA AH . ? 0.9676 0.7042 0.6427 0.0639 0.0053 -0.0228 510 CLA c CHD +58076 N NA . CLA AH . ? 1.0160 0.7809 0.7104 0.0599 0.0101 -0.0160 510 CLA c NA +58077 C C1A . CLA AH . ? 0.9494 0.7113 0.6399 0.0577 0.0078 -0.0165 510 CLA c C1A +58078 C C2A . CLA AH . ? 0.9736 0.7411 0.6673 0.0560 0.0081 -0.0149 510 CLA c C2A +58079 C C3A . CLA AH . ? 0.9413 0.7165 0.6425 0.0572 0.0115 -0.0131 510 CLA c C3A +58080 C C4A . CLA AH . ? 0.9734 0.7462 0.6742 0.0597 0.0123 -0.0141 510 CLA c C4A +58081 C CMA . CLA AH . ? 0.9392 0.7206 0.6494 0.0540 0.0098 -0.0116 510 CLA c CMA +58082 C CAA . CLA AH . ? 1.0080 0.7721 0.6939 0.0577 0.0096 -0.0153 510 CLA c CAA +58083 C CBA . CLA AH . ? 0.9296 0.6990 0.6180 0.0567 0.0109 -0.0135 510 CLA c CBA +58084 C CGA . CLA AH . ? 1.0437 0.8132 0.7333 0.0530 0.0071 -0.0133 510 CLA c CGA +58085 O O1A . CLA AH . ? 0.9747 0.7399 0.6580 0.0525 0.0053 -0.0141 510 CLA c O1A +58086 O O2A . CLA AH . ? 0.9921 0.7670 0.6905 0.0501 0.0053 -0.0122 510 CLA c O2A +58087 N NB . CLA AH . ? 0.9191 0.6896 0.6213 0.0653 0.0148 -0.0153 510 CLA c NB +58088 C C1B . CLA AH . ? 0.9192 0.6971 0.6269 0.0643 0.0164 -0.0136 510 CLA c C1B +58089 C C2B . CLA AH . ? 0.8339 0.6190 0.5482 0.0665 0.0196 -0.0124 510 CLA c C2B +58090 C C3B . CLA AH . ? 0.9184 0.6994 0.6307 0.0693 0.0196 -0.0137 510 CLA c C3B +58091 C C4B . CLA AH . ? 0.8664 0.6382 0.5710 0.0681 0.0165 -0.0154 510 CLA c C4B +58092 C CMB . CLA AH . ? 0.8642 0.6582 0.5855 0.0660 0.0221 -0.0106 510 CLA c CMB +58093 C CAB . CLA AH . ? 0.9453 0.7299 0.6617 0.0725 0.0218 -0.0135 510 CLA c CAB +58094 C CBB . CLA AH . ? 0.8571 0.6505 0.5817 0.0725 0.0236 -0.0120 510 CLA c CBB +58095 N NC . CLA AH . ? 0.9755 0.7276 0.6636 0.0664 0.0106 -0.0194 510 CLA c NC +58096 C C1C . CLA AH . ? 0.9124 0.6679 0.6046 0.0691 0.0128 -0.0188 510 CLA c C1C +58097 C C2C . CLA AH . ? 1.0028 0.7515 0.6910 0.0712 0.0122 -0.0203 510 CLA c C2C +58098 C C3C . CLA AH . ? 0.8654 0.6057 0.5462 0.0691 0.0092 -0.0220 510 CLA c C3C +58099 C C4C . CLA AH . ? 0.9470 0.6904 0.6285 0.0663 0.0084 -0.0213 510 CLA c C4C +58100 C CMC . CLA AH . ? 1.0531 0.8029 0.7437 0.0745 0.0139 -0.0202 510 CLA c CMC +58101 C CAC . CLA AH . ? 0.9387 0.6693 0.6128 0.0697 0.0074 -0.0239 510 CLA c CAC +58102 C CBC . CLA AH . ? 0.8959 0.6264 0.5745 0.0661 0.0046 -0.0236 510 CLA c CBC +58103 N ND . CLA AH . ? 0.9124 0.6604 0.5943 0.0611 0.0063 -0.0202 510 CLA c ND +58104 C C1D . CLA AH . ? 0.9479 0.6874 0.6237 0.0612 0.0042 -0.0222 510 CLA c C1D +58105 C C2D . CLA AH . ? 0.9638 0.6978 0.6341 0.0586 0.0009 -0.0237 510 CLA c C2D +58106 C C3D . CLA AH . ? 0.9371 0.6772 0.6107 0.0569 0.0010 -0.0222 510 CLA c C3D +58107 C C4D . CLA AH . ? 0.9331 0.6807 0.6131 0.0585 0.0042 -0.0202 510 CLA c C4D +58108 C CMD . CLA AH . ? 0.9584 0.6833 0.6217 0.0574 -0.0021 -0.0260 510 CLA c CMD +58109 C CAD . CLA AH . ? 0.9560 0.6972 0.6287 0.0544 -0.0010 -0.0220 510 CLA c CAD +58110 O OBD . CLA AH . ? 1.0649 0.8006 0.7325 0.0525 -0.0042 -0.0236 510 CLA c OBD +58111 C CBD . CLA AH . ? 0.9807 0.7300 0.6592 0.0544 0.0013 -0.0197 510 CLA c CBD +58112 C CGD . CLA AH . ? 1.1365 0.8904 0.8216 0.0504 -0.0014 -0.0187 510 CLA c CGD +58113 O O1D . CLA AH . ? 1.0442 0.7995 0.7287 0.0489 -0.0026 -0.0183 510 CLA c O1D +58114 O O2D . CLA AH . ? 1.0572 0.8138 0.7494 0.0485 -0.0026 -0.0183 510 CLA c O2D +58115 C CED . CLA AH . ? 1.1200 0.8780 0.8160 0.0446 -0.0061 -0.0182 510 CLA c CED +58116 C C1 . CLA AH . ? 1.0804 0.8535 0.7788 0.0469 0.0011 -0.0129 510 CLA c C1 +58117 C C2 . CLA AH . ? 1.1428 0.9188 0.8486 0.0449 -0.0005 -0.0126 510 CLA c C2 +58118 C C3 . CLA AH . ? 0.9987 0.7812 0.7121 0.0427 -0.0009 -0.0110 510 CLA c C3 +58119 C C4 . CLA AH . ? 1.1832 0.9694 0.8972 0.0424 0.0003 -0.0095 510 CLA c C4 +58120 C C5 . CLA AH . ? 1.0707 0.8564 0.7916 0.0405 -0.0024 -0.0106 510 CLA c C5 +58121 C C6 . CLA AH . ? 0.9469 0.7330 0.6700 0.0426 -0.0003 -0.0107 510 CLA c C6 +58122 C C7 . CLA AH . ? 1.1291 0.9175 0.8587 0.0403 -0.0022 -0.0104 510 CLA c C7 +58123 C C8 . CLA AH . ? 1.0779 0.8671 0.8099 0.0425 -0.0002 -0.0103 510 CLA c C8 +58124 C C9 . CLA AH . ? 1.1129 0.9065 0.8528 0.0404 -0.0012 -0.0093 510 CLA c C9 +58125 C C10 . CLA AH . ? 1.2723 1.0535 0.9973 0.0439 -0.0010 -0.0123 510 CLA c C10 +58126 C C11 . CLA AH . ? 1.1809 0.9616 0.9040 0.0480 0.0023 -0.0124 510 CLA c C11 +58127 C C12 . CLA AH . ? 1.0582 0.8303 0.7737 0.0496 0.0015 -0.0144 510 CLA c C12 +58128 C C13 . CLA AH . ? 1.1136 0.8844 0.8251 0.0540 0.0048 -0.0148 510 CLA c C13 +58129 C C14 . CLA AH . ? 1.1859 0.9642 0.9046 0.0557 0.0077 -0.0132 510 CLA c C14 +58130 C C15 . CLA AH . ? 0.9801 0.7427 0.6853 0.0557 0.0041 -0.0167 510 CLA c C15 +58131 C C16 . CLA AH . ? 1.0531 0.8092 0.7536 0.0528 0.0004 -0.0182 510 CLA c C16 +58132 C C17 . CLA AH . ? 1.1993 0.9471 0.8938 0.0542 -0.0003 -0.0201 510 CLA c C17 +58133 C C18 . CLA AH . ? 1.1045 0.8451 0.7930 0.0517 -0.0036 -0.0219 510 CLA c C18 +58134 C C19 . CLA AH . ? 1.2561 0.9882 0.9388 0.0530 -0.0042 -0.0237 510 CLA c C19 +58135 C C20 . CLA AH . ? 1.3996 1.1431 1.0935 0.0471 -0.0066 -0.0214 510 CLA c C20 +58136 MG MG . CLA BH . ? 1.0792 0.8086 0.7167 0.0572 -0.0015 -0.0230 511 CLA c MG +58137 C CHA . CLA BH . ? 1.0690 0.7891 0.6861 0.0598 -0.0019 -0.0238 511 CLA c CHA +58138 C CHB . CLA BH . ? 1.0394 0.7613 0.6653 0.0662 0.0071 -0.0245 511 CLA c CHB +58139 C CHC . CLA BH . ? 0.9320 0.6661 0.5851 0.0547 -0.0028 -0.0231 511 CLA c CHC +58140 C CHD . CLA BH . ? 0.9989 0.7333 0.6454 0.0481 -0.0122 -0.0229 511 CLA c CHD +58141 N NA . CLA BH . ? 1.1908 0.9129 0.8147 0.0619 0.0020 -0.0240 511 CLA c NA +58142 C C1A . CLA BH . ? 1.0784 0.7978 0.6956 0.0625 0.0018 -0.0241 511 CLA c C1A +58143 C C2A . CLA BH . ? 1.2490 0.9640 0.8575 0.0664 0.0055 -0.0245 511 CLA c C2A +58144 C C3A . CLA BH . ? 1.1220 0.8375 0.7334 0.0684 0.0082 -0.0250 511 CLA c C3A +58145 C C4A . CLA BH . ? 1.0062 0.7265 0.6274 0.0653 0.0056 -0.0244 511 CLA c C4A +58146 C CMA . CLA BH . ? 0.9822 0.7014 0.5947 0.0716 0.0139 -0.0235 511 CLA c CMA +58147 C CAA . CLA BH . ? 1.1059 0.8119 0.7031 0.0672 0.0029 -0.0269 511 CLA c CAA +58148 C CBA . CLA BH . ? 1.1383 0.8397 0.7347 0.0653 -0.0016 -0.0293 511 CLA c CBA +58149 C CGA . CLA BH . ? 1.4384 1.1307 1.0231 0.0663 -0.0039 -0.0317 511 CLA c CGA +58150 O O1A . CLA BH . ? 1.2914 0.9806 0.8685 0.0688 -0.0018 -0.0317 511 CLA c O1A +58151 O O2A . CLA BH . ? 1.2614 0.9486 0.8438 0.0641 -0.0088 -0.0341 511 CLA c O2A +58152 N NB . CLA BH . ? 1.0950 0.8231 0.7342 0.0600 0.0015 -0.0237 511 CLA c NB +58153 C C1B . CLA BH . ? 1.0455 0.7711 0.6801 0.0637 0.0051 -0.0242 511 CLA c C1B +58154 C C2B . CLA BH . ? 1.0836 0.8099 0.7220 0.0652 0.0067 -0.0243 511 CLA c C2B +58155 C C3B . CLA BH . ? 1.0624 0.7920 0.7086 0.0616 0.0036 -0.0239 511 CLA c C3B +58156 C C4B . CLA BH . ? 1.0715 0.8021 0.7176 0.0586 0.0007 -0.0236 511 CLA c C4B +58157 C CMB . CLA BH . ? 1.0853 0.8095 0.7205 0.0694 0.0105 -0.0249 511 CLA c CMB +58158 C CAB . CLA BH . ? 1.0568 0.7885 0.7096 0.0611 0.0034 -0.0237 511 CLA c CAB +58159 C CBB . CLA BH . ? 0.9425 0.6760 0.5973 0.0640 0.0067 -0.0233 511 CLA c CBB +58160 N NC . CLA BH . ? 1.0085 0.7420 0.6562 0.0522 -0.0063 -0.0229 511 CLA c NC +58161 C C1C . CLA BH . ? 0.9432 0.6780 0.5963 0.0517 -0.0061 -0.0231 511 CLA c C1C +58162 C C2C . CLA BH . ? 1.0040 0.7411 0.6634 0.0479 -0.0098 -0.0232 511 CLA c C2C +58163 C C3C . CLA BH . ? 1.0392 0.7767 0.6969 0.0460 -0.0125 -0.0232 511 CLA c C3C +58164 C C4C . CLA BH . ? 1.0481 0.7831 0.6983 0.0490 -0.0101 -0.0230 511 CLA c C4C +58165 C CMC . CLA BH . ? 0.9811 0.7199 0.6470 0.0463 -0.0106 -0.0232 511 CLA c CMC +58166 C CAC . CLA BH . ? 1.0136 0.7535 0.6758 0.0421 -0.0167 -0.0233 511 CLA c CAC +58167 C CBC . CLA BH . ? 0.9876 0.7204 0.6439 0.0410 -0.0203 -0.0261 511 CLA c CBC +58168 N ND . CLA BH . ? 0.9265 0.6543 0.5600 0.0543 -0.0062 -0.0233 511 CLA c ND +58169 C C1D . CLA BH . ? 1.1176 0.8478 0.7551 0.0509 -0.0103 -0.0232 511 CLA c C1D +58170 C C2D . CLA BH . ? 0.9384 0.6669 0.5705 0.0506 -0.0122 -0.0232 511 CLA c C2D +58171 C C3D . CLA BH . ? 1.1055 0.8297 0.7291 0.0542 -0.0087 -0.0234 511 CLA c C3D +58172 C C4D . CLA BH . ? 1.1453 0.8696 0.7706 0.0561 -0.0055 -0.0234 511 CLA c C4D +58173 C CMD . CLA BH . ? 0.9542 0.6843 0.5878 0.0479 -0.0163 -0.0231 511 CLA c CMD +58174 C CAD . CLA BH . ? 1.1168 0.8364 0.7306 0.0567 -0.0073 -0.0235 511 CLA c CAD +58175 O OBD . CLA BH . ? 1.0620 0.7803 0.6718 0.0560 -0.0095 -0.0234 511 CLA c OBD +58176 C CBD . CLA BH . ? 1.0167 0.7338 0.6264 0.0601 -0.0029 -0.0238 511 CLA c CBD +58177 C CGD . CLA BH . ? 1.1107 0.8306 0.7193 0.0620 0.0015 -0.0217 511 CLA c CGD +58178 O O1D . CLA BH . ? 1.0874 0.8143 0.7037 0.0614 0.0039 -0.0194 511 CLA c O1D +58179 O O2D . CLA BH . ? 1.1428 0.8569 0.7407 0.0647 0.0032 -0.0223 511 CLA c O2D +58180 C CED . CLA BH . ? 1.0638 0.7804 0.6604 0.0658 0.0066 -0.0201 511 CLA c CED +58181 C C1 . CLA BH . ? 1.1760 0.8542 0.7481 0.0656 -0.0101 -0.0368 511 CLA c C1 +58182 C C2 . CLA BH . ? 1.2266 0.9020 0.8010 0.0636 -0.0130 -0.0386 511 CLA c C2 +58183 C C3 . CLA BH . ? 1.3555 1.0225 0.9219 0.0644 -0.0146 -0.0413 511 CLA c C3 +58184 C C4 . CLA BH . ? 1.3565 1.0163 0.9110 0.0675 -0.0137 -0.0426 511 CLA c C4 +58185 C C5 . CLA BH . ? 1.1574 0.8216 0.7265 0.0621 -0.0173 -0.0429 511 CLA c C5 +58186 C C6 . CLA BH . ? 1.2526 0.9150 0.8222 0.0646 -0.0140 -0.0431 511 CLA c C6 +58187 C C7 . CLA BH . ? 1.3172 0.9874 0.8942 0.0664 -0.0094 -0.0403 511 CLA c C7 +58188 C C8 . CLA BH . ? 1.2245 0.8924 0.8007 0.0697 -0.0060 -0.0405 511 CLA c C8 +58189 C C9 . CLA BH . ? 1.2552 0.9304 0.8367 0.0723 -0.0010 -0.0380 511 CLA c C9 +58190 C C10 . CLA BH . ? 1.2475 0.9148 0.8289 0.0675 -0.0079 -0.0412 511 CLA c C10 +58191 C C11 . CLA BH . ? 1.1801 0.8465 0.7619 0.0710 -0.0042 -0.0410 511 CLA c C11 +58192 C C12 . CLA BH . ? 1.1378 0.7969 0.7167 0.0704 -0.0063 -0.0431 511 CLA c C12 +58193 C C13 . CLA BH . ? 1.3099 0.9681 0.8892 0.0741 -0.0027 -0.0428 511 CLA c C13 +58194 C C14 . CLA BH . ? 1.0809 0.7343 0.6610 0.0727 -0.0048 -0.0441 511 CLA c C14 +58195 C C15 . CLA BH . ? 1.2301 0.8826 0.7997 0.0786 0.0000 -0.0441 511 CLA c C15 +58196 C C16 . CLA BH . ? 1.3409 0.9931 0.9109 0.0829 0.0040 -0.0438 511 CLA c C16 +58197 C C17 . CLA BH . ? 1.3743 1.0204 0.9341 0.0873 0.0066 -0.0452 511 CLA c C17 +58198 C C18 . CLA BH . ? 1.3905 1.0349 0.9496 0.0918 0.0100 -0.0454 511 CLA c C18 +58199 C C19 . CLA BH . ? 1.6371 1.2728 1.1845 0.0956 0.0115 -0.0476 511 CLA c C19 +58200 C C20 . CLA BH . ? 1.4870 1.1415 1.0543 0.0939 0.0142 -0.0429 511 CLA c C20 +58201 MG MG . CLA CH . ? 1.1237 0.9102 0.7922 0.1029 0.0677 -0.0161 512 CLA c MG +58202 C CHA . CLA CH . ? 1.0305 0.8068 0.6995 0.0993 0.0554 -0.0178 512 CLA c CHA +58203 C CHB . CLA CH . ? 1.2678 1.0586 0.9421 0.1127 0.0717 -0.0189 512 CLA c CHB +58204 C CHC . CLA CH . ? 1.0356 0.8273 0.6982 0.1068 0.0801 -0.0152 512 CLA c CHC +58205 C CHD . CLA CH . ? 0.9809 0.7575 0.6377 0.0942 0.0617 -0.0141 512 CLA c CHD +58206 N NA . CLA CH . ? 1.1825 0.9661 0.8532 0.1055 0.0642 -0.0180 512 CLA c NA +58207 C C1A . CLA CH . ? 1.1049 0.8853 0.7764 0.1037 0.0596 -0.0183 512 CLA c C1A +58208 C C2A . CLA CH . ? 1.1665 0.9463 0.8404 0.1065 0.0586 -0.0195 512 CLA c C2A +58209 C C3A . CLA CH . ? 1.2020 0.9864 0.8774 0.1109 0.0637 -0.0198 512 CLA c C3A +58210 C C4A . CLA CH . ? 1.0833 0.8698 0.7567 0.1095 0.0667 -0.0188 512 CLA c C4A +58211 C CMA . CLA CH . ? 1.1480 0.9240 0.8139 0.1152 0.0645 -0.0220 512 CLA c CMA +58212 C CAA . CLA CH . ? 1.2101 0.9959 0.8941 0.1045 0.0562 -0.0184 512 CLA c CAA +58213 C CBA . CLA CH . ? 1.3615 1.1476 1.0475 0.1085 0.0567 -0.0196 512 CLA c CBA +58214 C CGA . CLA CH . ? 1.3712 1.1616 1.0657 0.1070 0.0540 -0.0188 512 CLA c CGA +58215 O O1A . CLA CH . ? 1.4436 1.2292 1.1366 0.1045 0.0499 -0.0190 512 CLA c O1A +58216 O O2A . CLA CH . ? 1.6188 1.4192 1.3233 0.1084 0.0562 -0.0180 512 CLA c O2A +58217 N NB . CLA CH . ? 1.2604 1.0514 0.9292 0.1088 0.0748 -0.0170 512 CLA c NB +58218 C C1B . CLA CH . ? 1.2684 1.0614 0.9403 0.1124 0.0759 -0.0181 512 CLA c C1B +58219 C C2B . CLA CH . ? 1.1822 0.9793 0.8545 0.1163 0.0815 -0.0186 512 CLA c C2B +58220 C C3B . CLA CH . ? 1.4071 1.2046 1.0761 0.1143 0.0842 -0.0174 512 CLA c C3B +58221 C C4B . CLA CH . ? 1.1367 0.9300 0.8035 0.1097 0.0796 -0.0165 512 CLA c C4B +58222 C CMB . CLA CH . ? 1.2653 1.0658 0.9408 0.1210 0.0840 -0.0198 512 CLA c CMB +58223 C CAB . CLA CH . ? 1.3742 1.1752 1.0420 0.1164 0.0902 -0.0172 512 CLA c CAB +58224 C CBB . CLA CH . ? 1.2976 1.0923 0.9555 0.1168 0.0919 -0.0175 512 CLA c CBB +58225 N NC . CLA CH . ? 1.2985 1.0828 0.9596 0.1008 0.0702 -0.0148 512 CLA c NC +58226 C C1C . CLA CH . ? 1.1176 0.9041 0.7767 0.1029 0.0755 -0.0146 512 CLA c C1C +58227 C C2C . CLA CH . ? 1.2188 1.0021 0.8714 0.1010 0.0764 -0.0136 512 CLA c C2C +58228 C C3C . CLA CH . ? 1.1646 0.9435 0.8155 0.0974 0.0708 -0.0134 512 CLA c C3C +58229 C C4C . CLA CH . ? 1.0007 0.7807 0.6573 0.0975 0.0674 -0.0142 512 CLA c C4C +58230 C CMC . CLA CH . ? 1.2471 1.0312 0.8955 0.1023 0.0818 -0.0131 512 CLA c CMC +58231 C CAC . CLA CH . ? 1.0790 0.8534 0.7239 0.0945 0.0689 -0.0125 512 CLA c CAC +58232 C CBC . CLA CH . ? 1.1840 0.9476 0.8174 0.0958 0.0658 -0.0145 512 CLA c CBC +58233 N ND . CLA CH . ? 1.0428 0.8216 0.7069 0.0979 0.0606 -0.0160 512 CLA c ND +58234 C C1D . CLA CH . ? 1.0893 0.8651 0.7496 0.0945 0.0584 -0.0152 512 CLA c C1D +58235 C C2D . CLA CH . ? 1.1104 0.8820 0.7703 0.0915 0.0527 -0.0155 512 CLA c C2D +58236 C C3D . CLA CH . ? 0.9703 0.7423 0.6339 0.0934 0.0517 -0.0166 512 CLA c C3D +58237 C C4D . CLA CH . ? 1.0476 0.8238 0.7134 0.0970 0.0563 -0.0167 512 CLA c C4D +58238 C CMD . CLA CH . ? 0.9544 0.7223 0.6113 0.0876 0.0487 -0.0151 512 CLA c CMD +58239 C CAD . CLA CH . ? 1.0749 0.8446 0.7408 0.0929 0.0479 -0.0175 512 CLA c CAD +58240 O OBD . CLA CH . ? 1.0291 0.7952 0.6941 0.0897 0.0434 -0.0176 512 CLA c OBD +58241 C CBD . CLA CH . ? 1.0736 0.8456 0.7426 0.0966 0.0501 -0.0182 512 CLA c CBD +58242 C CGD . CLA CH . ? 1.1633 0.9267 0.8255 0.0989 0.0481 -0.0203 512 CLA c CGD +58243 O O1D . CLA CH . ? 1.2044 0.9666 0.8694 0.0982 0.0451 -0.0207 512 CLA c O1D +58244 O O2D . CLA CH . ? 1.2356 0.9913 0.8872 0.1020 0.0496 -0.0220 512 CLA c O2D +58245 C CED . CLA CH . ? 1.1656 0.9116 0.8097 0.1026 0.0463 -0.0239 512 CLA c CED +58246 C C1 . CLA CH . ? 1.3923 1.1937 1.1013 0.1098 0.0542 -0.0183 512 CLA c C1 +58247 C C2 . CLA CH . ? 1.0239 0.8285 0.7345 0.1152 0.0575 -0.0192 512 CLA c C2 +58248 C C3 . CLA CH . ? 1.2723 1.0691 0.9754 0.1190 0.0573 -0.0210 512 CLA c C3 +58249 C C4 . CLA CH . ? 1.0809 0.8661 0.7745 0.1175 0.0538 -0.0220 512 CLA c C4 +58250 C C5 . CLA CH . ? 1.2664 1.0663 0.9709 0.1246 0.0606 -0.0221 512 CLA c C5 +58251 C C6 . CLA CH . ? 1.2674 1.0614 0.9625 0.1280 0.0634 -0.0236 512 CLA c C6 +58252 C C7 . CLA CH . ? 1.4439 1.2461 1.1427 0.1297 0.0686 -0.0232 512 CLA c C7 +58253 C C8 . CLA CH . ? 1.4869 1.2828 1.1759 0.1331 0.0715 -0.0247 512 CLA c C8 +58254 C C9 . CLA CH . ? 1.4466 1.2306 1.1246 0.1312 0.0685 -0.0255 512 CLA c C9 +58255 C C10 . CLA CH . ? 1.6247 1.4276 1.3161 0.1328 0.0762 -0.0239 512 CLA c C10 +58256 C C11 . CLA CH . ? 1.9566 1.7524 1.6373 0.1354 0.0789 -0.0253 512 CLA c C11 +58257 C C12 . CLA CH . ? 1.8409 1.6427 1.5230 0.1350 0.0838 -0.0245 512 CLA c C12 +58258 C C13 . CLA CH . ? 1.9310 1.7398 1.6173 0.1399 0.0886 -0.0252 512 CLA c C13 +58259 C C14 . CLA CH . ? 1.5921 1.3929 1.2697 0.1453 0.0893 -0.0275 512 CLA c C14 +58260 C C15 . CLA CH . ? 1.6376 1.4527 1.3257 0.1390 0.0936 -0.0243 512 CLA c C15 +58261 C C16 . CLA CH . ? 1.6292 1.4479 1.3214 0.1332 0.0925 -0.0222 512 CLA c C16 +58262 C C17 . CLA CH . ? 1.7596 1.5899 1.4606 0.1324 0.0972 -0.0210 512 CLA c C17 +58263 C C18 . CLA CH . ? 1.8515 1.6802 1.5477 0.1295 0.0997 -0.0199 512 CLA c C18 +58264 C C19 . CLA CH . ? 1.6930 1.5201 1.3899 0.1239 0.0959 -0.0182 512 CLA c C19 +58265 C C20 . CLA CH . ? 1.7507 1.5894 1.4533 0.1301 0.1056 -0.0192 512 CLA c C20 +58266 MG MG . CLA DH . ? 1.3216 1.0336 0.9051 0.1114 0.0566 -0.0288 513 CLA c MG +58267 C CHA . CLA DH . ? 1.2504 0.9480 0.8076 0.1162 0.0619 -0.0307 513 CLA c CHA +58268 C CHB . CLA DH . ? 1.3669 1.1000 0.9662 0.1097 0.0659 -0.0236 513 CLA c CHB +58269 C CHC . CLA DH . ? 1.2091 0.9340 0.8162 0.1093 0.0533 -0.0275 513 CLA c CHC +58270 C CHD . CLA DH . ? 1.2901 0.9776 0.8546 0.1141 0.0483 -0.0351 513 CLA c CHD +58271 N NA . CLA DH . ? 1.4613 1.1765 1.0407 0.1128 0.0629 -0.0273 513 CLA c NA +58272 C C1A . CLA DH . ? 1.3539 1.0629 0.9229 0.1145 0.0645 -0.0281 513 CLA c C1A +58273 C C2A . CLA DH . ? 1.4153 1.1285 0.9838 0.1147 0.0692 -0.0264 513 CLA c C2A +58274 C C3A . CLA DH . ? 1.4514 1.1757 1.0334 0.1124 0.0702 -0.0242 513 CLA c C3A +58275 C C4A . CLA DH . ? 1.3509 1.0752 0.9382 0.1116 0.0660 -0.0251 513 CLA c C4A +58276 C CMA . CLA DH . ? 1.1878 0.9137 0.7710 0.1081 0.0681 -0.0223 513 CLA c CMA +58277 C CAA . CLA DH . ? 1.2794 0.9928 0.8448 0.1195 0.0749 -0.0273 513 CLA c CAA +58278 C CBA . CLA DH . ? 1.3280 1.0448 0.8999 0.1222 0.0757 -0.0282 513 CLA c CBA +58279 C CGA . CLA DH . ? 1.4245 1.1460 0.9981 0.1263 0.0820 -0.0283 513 CLA c CGA +58280 O O1A . CLA DH . ? 1.5531 1.2785 1.1267 0.1263 0.0863 -0.0270 513 CLA c O1A +58281 O O2A . CLA DH . ? 1.4822 1.2037 1.0572 0.1303 0.0834 -0.0299 513 CLA c O2A +58282 N NB . CLA DH . ? 1.3114 1.0387 0.9124 0.1100 0.0593 -0.0260 513 CLA c NB +58283 C C1B . CLA DH . ? 1.3569 1.0917 0.9631 0.1087 0.0623 -0.0239 513 CLA c C1B +58284 C C2B . CLA DH . ? 1.0901 0.8347 0.7092 0.1064 0.0620 -0.0221 513 CLA c C2B +58285 C C3B . CLA DH . ? 1.3335 1.0753 0.9545 0.1064 0.0582 -0.0233 513 CLA c C3B +58286 C C4B . CLA DH . ? 1.0951 0.8262 0.7045 0.1087 0.0569 -0.0257 513 CLA c C4B +58287 C CMB . CLA DH . ? 1.0515 0.8057 0.6791 0.1043 0.0648 -0.0197 513 CLA c CMB +58288 C CAB . CLA DH . ? 1.1716 0.9197 0.8035 0.1045 0.0561 -0.0225 513 CLA c CAB +58289 C CBB . CLA DH . ? 1.2132 0.9674 0.8522 0.1068 0.0586 -0.0223 513 CLA c CBB +58290 N NC . CLA DH . ? 1.2543 0.9614 0.8397 0.1115 0.0517 -0.0308 513 CLA c NC +58291 C C1C . CLA DH . ? 1.3843 1.0980 0.9799 0.1110 0.0515 -0.0299 513 CLA c C1C +58292 C C2C . CLA DH . ? 1.4528 1.1614 1.0473 0.1124 0.0491 -0.0316 513 CLA c C2C +58293 C C3C . CLA DH . ? 1.2136 0.9111 0.7956 0.1138 0.0477 -0.0338 513 CLA c C3C +58294 C C4C . CLA DH . ? 1.3216 1.0193 0.8990 0.1131 0.0493 -0.0331 513 CLA c C4C +58295 C CMC . CLA DH . ? 1.2772 0.9907 0.8809 0.1126 0.0483 -0.0311 513 CLA c CMC +58296 C CAC . CLA DH . ? 1.3633 1.0513 0.9386 0.1154 0.0452 -0.0363 513 CLA c CAC +58297 C CBC . CLA DH . ? 1.0847 0.7713 0.6566 0.1210 0.0494 -0.0374 513 CLA c CBC +58298 N ND . CLA DH . ? 1.4629 1.1598 1.0291 0.1146 0.0552 -0.0321 513 CLA c ND +58299 C C1D . CLA DH . ? 1.3221 1.0093 0.8809 0.1152 0.0516 -0.0346 513 CLA c C1D +58300 C C2D . CLA DH . ? 1.3053 0.9829 0.8508 0.1170 0.0515 -0.0364 513 CLA c C2D +58301 C C3D . CLA DH . ? 1.6260 1.3083 1.1712 0.1175 0.0557 -0.0347 513 CLA c C3D +58302 C C4D . CLA DH . ? 1.3701 1.0630 0.9272 0.1160 0.0575 -0.0324 513 CLA c C4D +58303 C CMD . CLA DH . ? 1.2782 0.9442 0.8126 0.1181 0.0485 -0.0392 513 CLA c CMD +58304 C CAD . CLA DH . ? 1.4631 1.1427 0.9999 0.1189 0.0588 -0.0345 513 CLA c CAD +58305 O OBD . CLA DH . ? 1.4217 1.0920 0.9464 0.1205 0.0581 -0.0364 513 CLA c OBD +58306 C CBD . CLA DH . ? 1.5741 1.2633 1.1182 0.1180 0.0628 -0.0319 513 CLA c CBD +58307 C CGD . CLA DH . ? 1.5019 1.1895 1.0425 0.1147 0.0605 -0.0308 513 CLA c CGD +58308 O O1D . CLA DH . ? 1.5066 1.1949 1.0509 0.1110 0.0559 -0.0303 513 CLA c O1D +58309 O O2D . CLA DH . ? 1.7454 1.4303 1.2776 0.1160 0.0638 -0.0304 513 CLA c O2D +58310 C CED . CLA DH . ? 1.7220 1.4020 1.2472 0.1137 0.0608 -0.0302 513 CLA c CED +58311 C C1 . CLA DH . ? 1.6059 1.3339 1.1848 0.1340 0.0892 -0.0298 513 CLA c C1 +58312 C C2 . CLA DH . ? 1.5486 1.2843 1.1390 0.1349 0.0893 -0.0296 513 CLA c C2 +58313 C C3 . CLA DH . ? 1.5433 1.2751 1.1323 0.1381 0.0878 -0.0314 513 CLA c C3 +58314 C C4 . CLA DH . ? 1.6750 1.3946 1.2510 0.1405 0.0862 -0.0338 513 CLA c C4 +58315 C C5 . CLA DH . ? 1.5170 1.2565 1.1172 0.1392 0.0878 -0.0312 513 CLA c C5 +58316 C C6 . CLA DH . ? 1.5335 1.2664 1.1319 0.1396 0.0828 -0.0326 513 CLA c C6 +58317 C C7 . CLA DH . ? 1.5420 1.2828 1.1524 0.1387 0.0812 -0.0317 513 CLA c C7 +58318 C C8 . CLA DH . ? 1.8251 1.5590 1.4336 0.1384 0.0761 -0.0329 513 CLA c C8 +58319 C C9 . CLA DH . ? 1.8455 1.5676 1.4416 0.1417 0.0754 -0.0354 513 CLA c C9 +58320 C C10 . CLA DH . ? 1.5328 1.2735 1.1513 0.1401 0.0761 -0.0326 513 CLA c C10 +58321 C C11 . CLA DH . ? 1.9175 1.6705 1.5482 0.1374 0.0774 -0.0303 513 CLA c C11 +58322 C C12 . CLA DH . ? 2.0799 1.8399 1.7207 0.1390 0.0771 -0.0300 513 CLA c C12 +58323 C C13 . CLA DH . ? 1.9600 1.7256 1.6097 0.1340 0.0739 -0.0281 513 CLA c C13 +58324 C C14 . CLA DH . ? 1.7383 1.5122 1.3936 0.1309 0.0764 -0.0262 513 CLA c C14 +58325 C C15 . CLA DH . ? 1.8872 1.6435 1.5308 0.1307 0.0686 -0.0285 513 CLA c C15 +58326 C C16 . CLA DH . ? 1.8387 1.5981 1.4902 0.1275 0.0646 -0.0275 513 CLA c C16 +58327 C C17 . CLA DH . ? 1.7555 1.5051 1.4005 0.1245 0.0595 -0.0282 513 CLA c C17 +58328 C C18 . CLA DH . ? 1.4787 1.2320 1.1317 0.1205 0.0558 -0.0269 513 CLA c C18 +58329 C C19 . CLA DH . ? 1.4870 1.2309 1.1339 0.1176 0.0509 -0.0277 513 CLA c C19 +58330 C C20 . CLA DH . ? 1.5746 1.3335 1.2353 0.1231 0.0563 -0.0267 513 CLA c C20 +58331 C C1 . BCR EH . ? 1.3038 0.9367 0.8783 0.1523 0.0347 -0.0470 514 BCR c C1 +58332 C C2 . BCR EH . ? 1.2540 0.8766 0.8239 0.1519 0.0317 -0.0476 514 BCR c C2 +58333 C C3 . BCR EH . ? 1.2453 0.8643 0.8149 0.1448 0.0280 -0.0473 514 BCR c C3 +58334 C C4 . BCR EH . ? 1.1943 0.8061 0.7551 0.1427 0.0274 -0.0490 514 BCR c C4 +58335 C C5 . BCR EH . ? 1.1797 0.7990 0.7421 0.1443 0.0305 -0.0488 514 BCR c C5 +58336 C C6 . BCR EH . ? 1.1780 0.8068 0.7465 0.1486 0.0340 -0.0479 514 BCR c C6 +58337 C C7 . BCR EH . ? 1.1911 0.8275 0.7614 0.1501 0.0373 -0.0476 514 BCR c C7 +58338 C C8 . BCR EH . ? 1.3536 0.9978 0.9295 0.1457 0.0371 -0.0462 514 BCR c C8 +58339 C C9 . BCR EH . ? 1.3012 0.9530 0.8790 0.1469 0.0406 -0.0458 514 BCR c C9 +58340 C C10 . BCR EH . ? 1.3112 0.9690 0.8932 0.1422 0.0400 -0.0445 514 BCR c C10 +58341 C C11 . BCR EH . ? 1.2470 0.9120 0.8308 0.1433 0.0435 -0.0440 514 BCR c C11 +58342 C C33 . BCR EH . ? 1.2763 0.8920 0.8331 0.1407 0.0295 -0.0498 514 BCR c C33 +58343 C C31 . BCR EH . ? 1.3195 0.9655 0.9066 0.1493 0.0346 -0.0445 514 BCR c C31 +58344 C C32 . BCR EH . ? 1.2766 0.9119 0.8499 0.1595 0.0387 -0.0478 514 BCR c C32 +58345 C C34 . BCR EH . ? 1.4473 1.1003 1.0226 0.1534 0.0448 -0.0468 514 BCR c C34 +58346 C C12 . BCR EH . ? 1.3156 0.9884 0.9057 0.1389 0.0432 -0.0422 514 BCR c C12 +58347 C C13 . BCR EH . ? 1.4166 1.0967 1.0087 0.1395 0.0467 -0.0415 514 BCR c C13 +58348 C C14 . BCR EH . ? 1.3615 1.0471 0.9579 0.1348 0.0458 -0.0400 514 BCR c C14 +58349 C C15 . BCR EH . ? 1.1650 0.8574 0.7631 0.1349 0.0492 -0.0390 514 BCR c C15 +58350 C C16 . BCR EH . ? 1.3557 1.0534 0.9582 0.1303 0.0482 -0.0375 514 BCR c C16 +58351 C C17 . BCR EH . ? 1.3575 1.0615 0.9613 0.1304 0.0517 -0.0365 514 BCR c C17 +58352 C C18 . BCR EH . ? 1.4710 1.1820 1.0810 0.1263 0.0513 -0.0346 514 BCR c C18 +58353 C C19 . BCR EH . ? 1.3371 1.0537 0.9476 0.1267 0.0552 -0.0337 514 BCR c C19 +58354 C C20 . BCR EH . ? 1.2932 1.0162 0.9088 0.1230 0.0553 -0.0318 514 BCR c C20 +58355 C C21 . BCR EH . ? 1.2494 0.9769 0.8643 0.1242 0.0597 -0.0311 514 BCR c C21 +58356 C C22 . BCR EH . ? 1.3145 1.0495 0.9354 0.1211 0.0607 -0.0291 514 BCR c C22 +58357 C C23 . BCR EH . ? 1.3311 1.0694 0.9505 0.1223 0.0650 -0.0285 514 BCR c C23 +58358 C C24 . BCR EH . ? 1.2306 0.9745 0.8537 0.1191 0.0660 -0.0266 514 BCR c C24 +58359 C C25 . BCR EH . ? 1.1733 0.9207 0.7948 0.1203 0.0710 -0.0259 514 BCR c C25 +58360 C C26 . BCR EH . ? 1.1844 0.9249 0.7954 0.1210 0.0720 -0.0266 514 BCR c C26 +58361 C C27 . BCR EH . ? 1.2240 0.9680 0.8332 0.1222 0.0773 -0.0257 514 BCR c C27 +58362 C C28 . BCR EH . ? 1.3359 1.0898 0.9544 0.1246 0.0819 -0.0251 514 BCR c C28 +58363 C C29 . BCR EH . ? 1.3024 1.0651 0.9333 0.1213 0.0800 -0.0234 514 BCR c C29 +58364 C C30 . BCR EH . ? 1.3578 1.1171 0.9904 0.1206 0.0749 -0.0242 514 BCR c C30 +58365 C C35 . BCR EH . ? 1.3299 1.0111 0.9190 0.1453 0.0513 -0.0424 514 BCR c C35 +58366 C C36 . BCR EH . ? 1.4251 1.1380 1.0413 0.1214 0.0471 -0.0334 514 BCR c C36 +58367 C C37 . BCR EH . ? 1.3743 1.1138 1.0033 0.1164 0.0571 -0.0275 514 BCR c C37 +58368 C C38 . BCR EH . ? 1.2310 0.9600 0.8312 0.1206 0.0679 -0.0284 514 BCR c C38 +58369 C C39 . BCR EH . ? 1.2780 1.0399 0.9145 0.1249 0.0765 -0.0253 514 BCR c C39 +58370 C C40 . BCR EH . ? 1.2521 1.0175 0.8940 0.1159 0.0720 -0.0223 514 BCR c C40 +58371 C C1 . BCR FH . ? 0.9413 0.8414 0.7542 0.0416 0.0590 0.0133 515 BCR c C1 +58372 C C2 . BCR FH . ? 0.8956 0.7964 0.7089 0.0383 0.0604 0.0150 515 BCR c C2 +58373 C C3 . BCR FH . ? 1.0418 0.9511 0.8637 0.0370 0.0636 0.0156 515 BCR c C3 +58374 C C4 . BCR FH . ? 1.0248 0.9396 0.8555 0.0363 0.0609 0.0153 515 BCR c C4 +58375 C C5 . BCR FH . ? 1.0736 0.9874 0.9039 0.0394 0.0588 0.0137 515 BCR c C5 +58376 C C6 . BCR FH . ? 0.9154 0.8224 0.7376 0.0417 0.0580 0.0128 515 BCR c C6 +58377 C C7 . BCR FH . ? 0.9465 0.8520 0.7681 0.0447 0.0560 0.0113 515 BCR c C7 +58378 C C8 . BCR FH . ? 0.9104 0.8200 0.7351 0.0476 0.0581 0.0102 515 BCR c C8 +58379 C C9 . BCR FH . ? 0.8317 0.7389 0.6551 0.0505 0.0558 0.0087 515 BCR c C9 +58380 C C10 . BCR FH . ? 0.9823 0.8949 0.8108 0.0531 0.0573 0.0078 515 BCR c C10 +58381 C C11 . BCR FH . ? 0.8778 0.7881 0.7050 0.0564 0.0553 0.0064 515 BCR c C11 +58382 C C33 . BCR FH . ? 1.0196 0.9401 0.8588 0.0397 0.0576 0.0132 515 BCR c C33 +58383 C C31 . BCR FH . ? 0.9453 0.8377 0.7517 0.0418 0.0546 0.0127 515 BCR c C31 +58384 C C32 . BCR FH . ? 1.1963 1.0960 1.0055 0.0446 0.0630 0.0124 515 BCR c C32 +58385 C C34 . BCR FH . ? 0.8294 0.7282 0.6457 0.0507 0.0520 0.0082 515 BCR c C34 +58386 C C12 . BCR FH . ? 0.8630 0.7784 0.6943 0.0593 0.0573 0.0055 515 BCR c C12 +58387 C C13 . BCR FH . ? 0.9452 0.8583 0.7752 0.0629 0.0555 0.0040 515 BCR c C13 +58388 C C14 . BCR FH . ? 0.9771 0.8958 0.8116 0.0660 0.0576 0.0031 515 BCR c C14 +58389 C C15 . BCR FH . ? 0.8425 0.7591 0.6758 0.0699 0.0561 0.0017 515 BCR c C15 +58390 C C16 . BCR FH . ? 0.8322 0.7534 0.6684 0.0735 0.0586 0.0007 515 BCR c C16 +58391 C C17 . BCR FH . ? 0.9492 0.8677 0.7837 0.0775 0.0568 -0.0007 515 BCR c C17 +58392 C C18 . BCR FH . ? 0.9125 0.8358 0.7503 0.0815 0.0589 -0.0018 515 BCR c C18 +58393 C C19 . BCR FH . ? 0.8963 0.8158 0.7317 0.0853 0.0567 -0.0031 515 BCR c C19 +58394 C C20 . BCR FH . ? 0.8939 0.8170 0.7315 0.0897 0.0583 -0.0043 515 BCR c C20 +58395 C C21 . BCR FH . ? 0.9328 0.8505 0.7670 0.0930 0.0555 -0.0053 515 BCR c C21 +58396 C C22 . BCR FH . ? 0.9870 0.9081 0.8240 0.0975 0.0561 -0.0065 515 BCR c C22 +58397 C C23 . BCR FH . ? 0.9171 0.8321 0.7501 0.1002 0.0532 -0.0073 515 BCR c C23 +58398 C C24 . BCR FH . ? 0.9208 0.8388 0.7568 0.1045 0.0529 -0.0083 515 BCR c C24 +58399 C C25 . BCR FH . ? 0.8533 0.7638 0.6844 0.1074 0.0497 -0.0091 515 BCR c C25 +58400 C C26 . BCR FH . ? 0.9868 0.8875 0.8083 0.1095 0.0494 -0.0100 515 BCR c C26 +58401 C C27 . BCR FH . ? 0.9048 0.7975 0.7211 0.1123 0.0462 -0.0107 515 BCR c C27 +58402 C C28 . BCR FH . ? 0.9848 0.8797 0.8063 0.1105 0.0427 -0.0098 515 BCR c C28 +58403 C C29 . BCR FH . ? 0.8596 0.7667 0.6917 0.1114 0.0440 -0.0097 515 BCR c C29 +58404 C C30 . BCR FH . ? 0.9850 0.8994 0.8223 0.1076 0.0467 -0.0088 515 BCR c C30 +58405 C C35 . BCR FH . ? 0.8204 0.7249 0.6439 0.0631 0.0516 0.0035 515 BCR c C35 +58406 C C36 . BCR FH . ? 0.8096 0.7421 0.6538 0.0820 0.0633 -0.0018 515 BCR c C36 +58407 C C37 . BCR FH . ? 1.1650 1.0966 1.0096 0.0994 0.0598 -0.0069 515 BCR c C37 +58408 C C38 . BCR FH . ? 0.8877 0.7843 0.7027 0.1094 0.0522 -0.0103 515 BCR c C38 +58409 C C39 . BCR FH . ? 0.9022 0.8159 0.7413 0.1021 0.0440 -0.0073 515 BCR c C39 +58410 C C40 . BCR FH . ? 0.9486 0.8751 0.7958 0.1095 0.0489 -0.0091 515 BCR c C40 +58411 C C1A A DGD GH . ? 0.9699 0.8652 0.8194 0.0579 0.0139 0.0040 516 DGD c C1A +58412 C C1A B DGD GH . ? 0.9711 0.8659 0.8201 0.0579 0.0139 0.0040 516 DGD c C1A +58413 C C2A A DGD GH . ? 1.0014 0.9013 0.8535 0.0556 0.0159 0.0046 516 DGD c C2A +58414 C C2A B DGD GH . ? 1.0036 0.9031 0.8553 0.0556 0.0159 0.0046 516 DGD c C2A +58415 C C3A A DGD GH . ? 0.9434 0.8488 0.8018 0.0520 0.0151 0.0058 516 DGD c C3A +58416 C C3A B DGD GH . ? 0.9436 0.8488 0.8018 0.0522 0.0151 0.0057 516 DGD c C3A +58417 C C4A A DGD GH . ? 1.0288 0.9351 0.8869 0.0491 0.0164 0.0064 516 DGD c C4A +58418 C C4A B DGD GH . ? 1.0296 0.9358 0.8877 0.0492 0.0164 0.0064 516 DGD c C4A +58419 C C5A A DGD GH . ? 1.0560 0.9661 0.9148 0.0509 0.0198 0.0061 516 DGD c C5A +58420 C C5A B DGD GH . ? 1.0552 0.9646 0.9133 0.0510 0.0197 0.0061 516 DGD c C5A +58421 C C6A A DGD GH . ? 1.1795 1.0881 1.0356 0.0483 0.0209 0.0067 516 DGD c C6A +58422 C C6A B DGD GH . ? 1.1794 1.0879 1.0356 0.0481 0.0207 0.0067 516 DGD c C6A +58423 C C7A A DGD GH . ? 1.2188 1.1318 1.0762 0.0496 0.0245 0.0066 516 DGD c C7A +58424 C C7A B DGD GH . ? 1.2179 1.1304 1.0750 0.0493 0.0243 0.0067 516 DGD c C7A +58425 C C8A A DGD GH . ? 1.3679 1.2883 1.2322 0.0470 0.0257 0.0076 516 DGD c C8A +58426 C C8A B DGD GH . ? 1.3691 1.2895 1.2335 0.0469 0.0256 0.0076 516 DGD c C8A +58427 C C9A A DGD GH . ? 1.3971 1.3207 1.2616 0.0474 0.0294 0.0077 516 DGD c C9A +58428 C C9A B DGD GH . ? 1.3986 1.3222 1.2632 0.0473 0.0292 0.0078 516 DGD c C9A +58429 C CAA A DGD GH . ? 1.2792 1.1996 1.1400 0.0445 0.0298 0.0086 516 DGD c CAA +58430 C CAA B DGD GH . ? 1.2773 1.1972 1.1377 0.0445 0.0296 0.0085 516 DGD c CAA +58431 C CBA A DGD GH . ? 1.3872 1.3087 1.2459 0.0456 0.0335 0.0085 516 DGD c CBA +58432 C CBA B DGD GH . ? 1.3865 1.3075 1.2449 0.0456 0.0333 0.0085 516 DGD c CBA +58433 C CCA A DGD GH . ? 1.4846 1.3979 1.3342 0.0463 0.0334 0.0081 516 DGD c CCA +58434 C CCA B DGD GH . ? 1.4856 1.3987 1.3351 0.0463 0.0332 0.0080 516 DGD c CCA +58435 C CDA A DGD GH . ? 1.5229 1.4354 1.3692 0.0501 0.0361 0.0070 516 DGD c CDA +58436 C CDA B DGD GH . ? 1.5250 1.4375 1.3713 0.0500 0.0361 0.0070 516 DGD c CDA +58437 C CEA A DGD GH . ? 1.4555 1.3616 1.2935 0.0501 0.0371 0.0069 516 DGD c CEA +58438 C CEA B DGD GH . ? 1.4559 1.3622 1.2941 0.0501 0.0371 0.0069 516 DGD c CEA +58439 C CFA A DGD GH . ? 1.3631 1.2717 1.2021 0.0475 0.0393 0.0081 516 DGD c CFA +58440 C CFA B DGD GH . ? 1.3625 1.2713 1.2017 0.0474 0.0393 0.0081 516 DGD c CFA +58441 C CGA A DGD GH . ? 1.2810 1.1825 1.1116 0.0469 0.0393 0.0081 516 DGD c CGA +58442 C CGA B DGD GH . ? 1.2813 1.1830 1.1120 0.0469 0.0394 0.0081 516 DGD c CGA +58443 O O1A A DGD GH . ? 0.9213 0.8177 0.7737 0.0573 0.0120 0.0044 516 DGD c O1A +58444 O O1A B DGD GH . ? 0.9223 0.8187 0.7746 0.0574 0.0121 0.0044 516 DGD c O1A +58445 C C1B A DGD GH . ? 0.9105 0.8026 0.7496 0.0690 0.0212 0.0009 516 DGD c C1B +58446 C C1B B DGD GH . ? 0.9112 0.8029 0.7499 0.0688 0.0211 0.0010 516 DGD c C1B +58447 C C2B A DGD GH . ? 0.9186 0.8065 0.7517 0.0690 0.0230 0.0005 516 DGD c C2B +58448 C C2B B DGD GH . ? 0.9178 0.8050 0.7503 0.0688 0.0228 0.0005 516 DGD c C2B +58449 C C3B A DGD GH . ? 0.9762 0.8672 0.8116 0.0650 0.0237 0.0015 516 DGD c C3B +58450 C C3B B DGD GH . ? 0.9776 0.8683 0.8127 0.0650 0.0238 0.0015 516 DGD c C3B +58451 C C4B A DGD GH . ? 0.9651 0.8536 0.8008 0.0610 0.0207 0.0024 516 DGD c C4B +58452 C C4B B DGD GH . ? 0.9657 0.8546 0.8017 0.0608 0.0209 0.0024 516 DGD c C4B +58453 C C5B A DGD GH . ? 0.9145 0.7968 0.7442 0.0585 0.0202 0.0024 516 DGD c C5B +58454 C C5B B DGD GH . ? 0.9116 0.7941 0.7413 0.0584 0.0203 0.0024 516 DGD c C5B +58455 C C6B A DGD GH . ? 1.0136 0.8939 0.8440 0.0546 0.0173 0.0031 516 DGD c C6B +58456 C C6B B DGD GH . ? 1.0135 0.8940 0.8440 0.0545 0.0174 0.0032 516 DGD c C6B +58457 C C7B A DGD GH . ? 1.0915 0.9700 0.9192 0.0516 0.0174 0.0036 516 DGD c C7B +58458 C C7B B DGD GH . ? 1.0939 0.9722 0.9214 0.0515 0.0174 0.0036 516 DGD c C7B +58459 C C8B A DGD GH . ? 0.9497 0.8269 0.7786 0.0477 0.0148 0.0043 516 DGD c C8B +58460 C C8B B DGD GH . ? 0.9495 0.8267 0.7784 0.0476 0.0147 0.0043 516 DGD c C8B +58461 C C9B A DGD GH . ? 0.9100 0.7868 0.7371 0.0451 0.0152 0.0048 516 DGD c C9B +58462 C C9B B DGD GH . ? 0.9096 0.7866 0.7370 0.0450 0.0152 0.0049 516 DGD c C9B +58463 C CAB A DGD GH . ? 0.8508 0.7238 0.6765 0.0417 0.0124 0.0051 516 DGD c CAB +58464 C CAB B DGD GH . ? 0.8502 0.7233 0.6759 0.0416 0.0123 0.0051 516 DGD c CAB +58465 C CBB A DGD GH . ? 0.8773 0.7463 0.6976 0.0405 0.0124 0.0049 516 DGD c CBB +58466 C CBB B DGD GH . ? 0.8765 0.7461 0.6972 0.0404 0.0126 0.0050 516 DGD c CBB +58467 C CCB A DGD GH . ? 0.8912 0.7593 0.7122 0.0367 0.0100 0.0054 516 DGD c CCB +58468 C CCB B DGD GH . ? 0.8930 0.7604 0.7133 0.0368 0.0099 0.0053 516 DGD c CCB +58469 C CDB A DGD GH . ? 0.9430 0.8103 0.7611 0.0355 0.0107 0.0057 516 DGD c CDB +58470 C CDB B DGD GH . ? 0.9433 0.8109 0.7616 0.0353 0.0107 0.0058 516 DGD c CDB +58471 C CEB A DGD GH . ? 0.9301 0.7952 0.7474 0.0322 0.0080 0.0060 516 DGD c CEB +58472 C CEB B DGD GH . ? 0.9330 0.7992 0.7514 0.0319 0.0081 0.0062 516 DGD c CEB +58473 C CFB A DGD GH . ? 0.8936 0.7614 0.7116 0.0307 0.0091 0.0069 516 DGD c CFB +58474 C CFB B DGD GH . ? 0.8923 0.7605 0.7106 0.0306 0.0092 0.0070 516 DGD c CFB +58475 C CGB A DGD GH . ? 0.9705 0.8346 0.7855 0.0282 0.0066 0.0068 516 DGD c CGB +58476 C CGB B DGD GH . ? 0.9732 0.8373 0.7880 0.0282 0.0067 0.0068 516 DGD c CGB +58477 O O1B A DGD GH . ? 0.8332 0.7335 0.6792 0.0697 0.0224 0.0012 516 DGD c O1B +58478 O O1B B DGD GH . ? 0.8326 0.7325 0.6783 0.0692 0.0224 0.0013 516 DGD c O1B +58479 O O1G A DGD GH . ? 0.9450 0.8337 0.7877 0.0610 0.0142 0.0029 516 DGD c O1G +58480 O O1G B DGD GH . ? 0.9516 0.8395 0.7937 0.0608 0.0141 0.0029 516 DGD c O1G +58481 C C1G A DGD GH . ? 0.8981 0.7859 0.7402 0.0650 0.0139 0.0022 516 DGD c C1G +58482 C C1G B DGD GH . ? 0.8989 0.7856 0.7401 0.0648 0.0138 0.0022 516 DGD c C1G +58483 C C2G A DGD GH . ? 0.9378 0.8288 0.7801 0.0686 0.0168 0.0014 516 DGD c C2G +58484 C C2G B DGD GH . ? 0.9403 0.8308 0.7822 0.0683 0.0167 0.0015 516 DGD c C2G +58485 O O2G A DGD GH . ? 0.9387 0.8250 0.7751 0.0681 0.0181 0.0010 516 DGD c O2G +58486 O O2G B DGD GH . ? 0.9406 0.8265 0.7767 0.0681 0.0180 0.0010 516 DGD c O2G +58487 C C3G A DGD GH . ? 0.8127 0.7015 0.6531 0.0731 0.0163 0.0005 516 DGD c C3G +58488 C C3G B DGD GH . ? 0.8111 0.6998 0.6516 0.0729 0.0162 0.0006 516 DGD c C3G +58489 O O3G A DGD GH . ? 0.8541 0.7487 0.7011 0.0732 0.0151 0.0011 516 DGD c O3G +58490 O O3G B DGD GH . ? 0.8557 0.7502 0.7026 0.0730 0.0151 0.0011 516 DGD c O3G +58491 C C1D A DGD GH . ? 0.8521 0.7422 0.6963 0.0758 0.0131 0.0007 516 DGD c C1D +58492 C C1D B DGD GH . ? 0.8532 0.7433 0.6975 0.0757 0.0132 0.0006 516 DGD c C1D +58493 C C2D A DGD GH . ? 0.7825 0.6781 0.6332 0.0748 0.0114 0.0014 516 DGD c C2D +58494 C C2D B DGD GH . ? 0.7823 0.6777 0.6329 0.0748 0.0114 0.0014 516 DGD c C2D +58495 O O2D A DGD GH . ? 0.7478 0.6410 0.5984 0.0702 0.0096 0.0024 516 DGD c O2D +58496 O O2D B DGD GH . ? 0.7470 0.6399 0.5972 0.0702 0.0097 0.0023 516 DGD c O2D +58497 C C3D A DGD GH . ? 0.7891 0.6817 0.6380 0.0786 0.0098 0.0009 516 DGD c C3D +58498 C C3D B DGD GH . ? 0.7894 0.6818 0.6382 0.0785 0.0098 0.0009 516 DGD c C3D +58499 O O3D A DGD GH . ? 0.8116 0.7103 0.6670 0.0782 0.0084 0.0015 516 DGD c O3D +58500 O O3D B DGD GH . ? 0.8130 0.7113 0.6681 0.0781 0.0083 0.0015 516 DGD c O3D +58501 C C4D A DGD GH . ? 0.6964 0.5900 0.5442 0.0838 0.0115 -0.0003 516 DGD c C4D +58502 C C4D B DGD GH . ? 0.6931 0.5868 0.5410 0.0837 0.0115 -0.0002 516 DGD c C4D +58503 O O4D A DGD GH . ? 0.7141 0.6184 0.5699 0.0846 0.0133 -0.0003 516 DGD c O4D +58504 O O4D B DGD GH . ? 0.7123 0.6166 0.5681 0.0845 0.0133 -0.0003 516 DGD c O4D +58505 C C5D A DGD GH . ? 0.8645 0.7520 0.7056 0.0843 0.0132 -0.0009 516 DGD c C5D +58506 C C5D B DGD GH . ? 0.8669 0.7546 0.7081 0.0842 0.0132 -0.0009 516 DGD c C5D +58507 O O5D A DGD GH . ? 0.8127 0.6940 0.6470 0.0929 0.0137 -0.0028 516 DGD c O5D +58508 O O5D B DGD GH . ? 0.8124 0.6939 0.6469 0.0928 0.0136 -0.0027 516 DGD c O5D +58509 C C6D A DGD GH . ? 0.8140 0.7029 0.6541 0.0895 0.0152 -0.0021 516 DGD c C6D +58510 C C6D B DGD GH . ? 0.8144 0.7036 0.6548 0.0895 0.0152 -0.0021 516 DGD c C6D +58511 O O6D A DGD GH . ? 0.7851 0.6756 0.6279 0.0807 0.0147 -0.0004 516 DGD c O6D +58512 O O6D B DGD GH . ? 0.7838 0.6745 0.6268 0.0807 0.0148 -0.0004 516 DGD c O6D +58513 C C1E A DGD GH . ? 0.8083 0.6944 0.6462 0.0974 0.0136 -0.0033 516 DGD c C1E +58514 C C1E B DGD GH . ? 0.8088 0.6947 0.6466 0.0973 0.0135 -0.0033 516 DGD c C1E +58515 C C2E A DGD GH . ? 0.8212 0.7010 0.6557 0.0985 0.0106 -0.0031 516 DGD c C2E +58516 C C2E B DGD GH . ? 0.8199 0.6992 0.6540 0.0984 0.0106 -0.0031 516 DGD c C2E +58517 O O2E A DGD GH . ? 0.8051 0.6861 0.6426 0.0942 0.0086 -0.0019 516 DGD c O2E +58518 O O2E B DGD GH . ? 0.8050 0.6855 0.6422 0.0942 0.0086 -0.0019 516 DGD c O2E +58519 C C3E A DGD GH . ? 0.8498 0.7177 0.6743 0.0988 0.0102 -0.0035 516 DGD c C3E +58520 C C3E B DGD GH . ? 0.8506 0.7182 0.6749 0.0987 0.0102 -0.0035 516 DGD c C3E +58521 O O3E A DGD GH . ? 0.8349 0.6962 0.6558 0.0993 0.0076 -0.0032 516 DGD c O3E +58522 O O3E B DGD GH . ? 0.8361 0.6968 0.6565 0.0992 0.0076 -0.0032 516 DGD c O3E +58523 C C4E A DGD GH . ? 0.8583 0.7247 0.6794 0.1038 0.0122 -0.0049 516 DGD c C4E +58524 C C4E B DGD GH . ? 0.8590 0.7251 0.6798 0.1036 0.0122 -0.0049 516 DGD c C4E +58525 O O4E A DGD GH . ? 0.8597 0.7286 0.6826 0.1089 0.0117 -0.0054 516 DGD c O4E +58526 O O4E B DGD GH . ? 0.8609 0.7296 0.6837 0.1087 0.0117 -0.0054 516 DGD c O4E +58527 C C5E A DGD GH . ? 0.8015 0.6755 0.6269 0.1033 0.0152 -0.0052 516 DGD c C5E +58528 C C5E B DGD GH . ? 0.8003 0.6741 0.6256 0.1031 0.0152 -0.0051 516 DGD c C5E +58529 O O6E A DGD GH . ? 0.7675 0.6526 0.6024 0.1020 0.0157 -0.0045 516 DGD c O6E +58530 O O6E B DGD GH . ? 0.7657 0.6507 0.6006 0.1018 0.0156 -0.0045 516 DGD c O6E +58531 C C6E A DGD GH . ? 0.8101 0.6836 0.6327 0.1085 0.0175 -0.0065 516 DGD c C6E +58532 C C6E B DGD GH . ? 0.8089 0.6824 0.6316 0.1083 0.0175 -0.0065 516 DGD c C6E +58533 O O5E A DGD GH . ? 0.8467 0.7086 0.6595 0.1102 0.0168 -0.0073 516 DGD c O5E +58534 O O5E B DGD GH . ? 0.8477 0.7096 0.6606 0.1101 0.0169 -0.0072 516 DGD c O5E +58535 C C1A A DGD HH . ? 1.0296 0.7284 0.7235 0.0282 -0.0189 -0.0262 517 DGD c C1A +58536 C C1A B DGD HH . ? 1.0262 0.7248 0.7202 0.0279 -0.0190 -0.0262 517 DGD c C1A +58537 C C2A A DGD HH . ? 1.1759 0.8714 0.8669 0.0244 -0.0213 -0.0281 517 DGD c C2A +58538 C C2A B DGD HH . ? 1.1755 0.8710 0.8668 0.0240 -0.0215 -0.0281 517 DGD c C2A +58539 C C3A A DGD HH . ? 1.2329 0.9344 0.9255 0.0248 -0.0216 -0.0281 517 DGD c C3A +58540 C C3A B DGD HH . ? 1.2316 0.9332 0.9245 0.0245 -0.0217 -0.0281 517 DGD c C3A +58541 C C4A A DGD HH . ? 1.3661 1.0769 1.0673 0.0215 -0.0226 -0.0268 517 DGD c C4A +58542 C C4A B DGD HH . ? 1.3672 1.0782 1.0688 0.0214 -0.0226 -0.0267 517 DGD c C4A +58543 C C5A A DGD HH . ? 1.4044 1.1210 1.1069 0.0226 -0.0226 -0.0265 517 DGD c C5A +58544 C C5A B DGD HH . ? 1.4055 1.1220 1.1081 0.0223 -0.0227 -0.0266 517 DGD c C5A +58545 C C6A A DGD HH . ? 1.4849 1.2110 1.1960 0.0201 -0.0232 -0.0249 517 DGD c C6A +58546 C C6A B DGD HH . ? 1.4847 1.2109 1.1960 0.0201 -0.0231 -0.0249 517 DGD c C6A +58547 C C7A A DGD HH . ? 1.5929 1.3258 1.3066 0.0233 -0.0212 -0.0234 517 DGD c C7A +58548 C C7A B DGD HH . ? 1.5943 1.3270 1.3076 0.0234 -0.0212 -0.0235 517 DGD c C7A +58549 C C8A A DGD HH . ? 1.5105 1.2504 1.2290 0.0209 -0.0225 -0.0228 517 DGD c C8A +58550 C C8A B DGD HH . ? 1.5083 1.2482 1.2267 0.0210 -0.0225 -0.0228 517 DGD c C8A +58551 C C9A A DGD HH . ? 1.7482 1.4891 1.4631 0.0236 -0.0218 -0.0230 517 DGD c C9A +58552 C C9A B DGD HH . ? 1.7489 1.4899 1.4639 0.0235 -0.0218 -0.0230 517 DGD c C9A +58553 C CAA A DGD HH . ? 1.8414 1.5876 1.5596 0.0212 -0.0235 -0.0228 517 DGD c CAA +58554 C CAA B DGD HH . ? 1.8428 1.5889 1.5610 0.0210 -0.0236 -0.0228 517 DGD c CAA +58555 C CBA A DGD HH . ? 1.9271 1.6690 1.6421 0.0178 -0.0267 -0.0249 517 DGD c CBA +58556 C CBA B DGD HH . ? 1.9296 1.6712 1.6447 0.0176 -0.0268 -0.0250 517 DGD c CBA +58557 C CCA A DGD HH . ? 1.9365 1.6826 1.6583 0.0135 -0.0287 -0.0246 517 DGD c CCA +58558 C CCA B DGD HH . ? 1.9393 1.6852 1.6612 0.0133 -0.0288 -0.0247 517 DGD c CCA +58559 C CDA A DGD HH . ? 1.8157 1.5560 1.5363 0.0109 -0.0299 -0.0259 517 DGD c CDA +58560 C CDA B DGD HH . ? 1.8165 1.5568 1.5374 0.0107 -0.0299 -0.0259 517 DGD c CDA +58561 C CEA A DGD HH . ? 1.7214 1.4654 1.4487 0.0096 -0.0290 -0.0243 517 DGD c CEA +58562 C CEA B DGD HH . ? 1.7229 1.4668 1.4502 0.0097 -0.0288 -0.0242 517 DGD c CEA +58563 C CFA A DGD HH . ? 1.5002 1.2375 1.2252 0.0077 -0.0295 -0.0254 517 DGD c CFA +58564 C CFA B DGD HH . ? 1.4978 1.2352 1.2231 0.0077 -0.0294 -0.0253 517 DGD c CFA +58565 C CGA A DGD HH . ? 1.3408 1.0791 1.0693 0.0027 -0.0321 -0.0264 517 DGD c CGA +58566 C CGA B DGD HH . ? 1.3397 1.0777 1.0679 0.0027 -0.0321 -0.0265 517 DGD c CGA +58567 O O1A A DGD HH . ? 1.1259 0.8321 0.8240 0.0305 -0.0175 -0.0247 517 DGD c O1A +58568 O O1A B DGD HH . ? 1.1258 0.8321 0.8243 0.0300 -0.0177 -0.0247 517 DGD c O1A +58569 C C1B A DGD HH . ? 1.1111 0.8093 0.7983 0.0439 -0.0121 -0.0247 517 DGD c C1B +58570 C C1B B DGD HH . ? 1.1124 0.8108 0.7998 0.0438 -0.0121 -0.0247 517 DGD c C1B +58571 C C2B A DGD HH . ? 1.1049 0.8062 0.7908 0.0455 -0.0114 -0.0252 517 DGD c C2B +58572 C C2B B DGD HH . ? 1.1048 0.8063 0.7907 0.0456 -0.0114 -0.0252 517 DGD c C2B +58573 C C3B A DGD HH . ? 1.1233 0.8350 0.8163 0.0476 -0.0095 -0.0232 517 DGD c C3B +58574 C C3B B DGD HH . ? 1.1237 0.8357 0.8169 0.0476 -0.0095 -0.0232 517 DGD c C3B +58575 C C4B A DGD HH . ? 1.1445 0.8629 0.8418 0.0446 -0.0104 -0.0228 517 DGD c C4B +58576 C C4B B DGD HH . ? 1.1435 0.8624 0.8413 0.0445 -0.0104 -0.0227 517 DGD c C4B +58577 C C5B A DGD HH . ? 1.2636 0.9879 0.9621 0.0479 -0.0082 -0.0221 517 DGD c C5B +58578 C C5B B DGD HH . ? 1.2658 0.9903 0.9645 0.0477 -0.0083 -0.0221 517 DGD c C5B +58579 C C6B A DGD HH . ? 1.2487 0.9801 0.9536 0.0505 -0.0061 -0.0202 517 DGD c C6B +58580 C C6B B DGD HH . ? 1.2521 0.9838 0.9570 0.0505 -0.0060 -0.0202 517 DGD c C6B +58581 C C7B A DGD HH . ? 1.1279 0.8665 0.8412 0.0471 -0.0070 -0.0185 517 DGD c C7B +58582 C C7B B DGD HH . ? 1.1278 0.8666 0.8412 0.0472 -0.0069 -0.0185 517 DGD c C7B +58583 C C8B A DGD HH . ? 1.1203 0.8678 0.8404 0.0495 -0.0048 -0.0167 517 DGD c C8B +58584 C C8B B DGD HH . ? 1.1205 0.8681 0.8406 0.0497 -0.0047 -0.0167 517 DGD c C8B +58585 C C9B A DGD HH . ? 1.1083 0.8614 0.8360 0.0467 -0.0057 -0.0151 517 DGD c C9B +58586 C C9B B DGD HH . ? 1.1092 0.8623 0.8369 0.0467 -0.0057 -0.0151 517 DGD c C9B +58587 C CAB A DGD HH . ? 1.0434 0.8067 0.7786 0.0473 -0.0042 -0.0134 517 DGD c CAB +58588 C CAB B DGD HH . ? 1.0431 0.8064 0.7782 0.0474 -0.0041 -0.0134 517 DGD c CAB +58589 C CBB A DGD HH . ? 1.0589 0.8272 0.8012 0.0440 -0.0054 -0.0120 517 DGD c CBB +58590 C CBB B DGD HH . ? 1.0598 0.8282 0.8022 0.0442 -0.0053 -0.0120 517 DGD c CBB +58591 C CCB A DGD HH . ? 1.1633 0.9409 0.9123 0.0429 -0.0047 -0.0106 517 DGD c CCB +58592 C CCB B DGD HH . ? 1.1668 0.9441 0.9156 0.0428 -0.0048 -0.0107 517 DGD c CCB +58593 C CDB A DGD HH . ? 1.0596 0.8415 0.8151 0.0392 -0.0063 -0.0095 517 DGD c CDB +58594 C CDB B DGD HH . ? 1.0618 0.8433 0.8170 0.0391 -0.0063 -0.0095 517 DGD c CDB +58595 C CEB A DGD HH . ? 1.1450 0.9206 0.8974 0.0357 -0.0087 -0.0106 517 DGD c CEB +58596 C CEB B DGD HH . ? 1.1467 0.9218 0.8988 0.0357 -0.0088 -0.0107 517 DGD c CEB +58597 C CFB A DGD HH . ? 1.0368 0.8171 0.7955 0.0317 -0.0103 -0.0096 517 DGD c CFB +58598 C CFB B DGD HH . ? 1.0400 0.8197 0.7980 0.0315 -0.0104 -0.0098 517 DGD c CFB +58599 C CGB A DGD HH . ? 1.0725 0.8469 0.8283 0.0281 -0.0126 -0.0109 517 DGD c CGB +58600 C CGB B DGD HH . ? 1.0763 0.8497 0.8312 0.0281 -0.0127 -0.0111 517 DGD c CGB +58601 O O1B A DGD HH . ? 1.0367 0.7368 0.7265 0.0465 -0.0107 -0.0235 517 DGD c O1B +58602 O O1B B DGD HH . ? 1.0372 0.7374 0.7270 0.0463 -0.0108 -0.0235 517 DGD c O1B +58603 O O1G A DGD HH . ? 1.0658 0.7584 0.7571 0.0291 -0.0183 -0.0260 517 DGD c O1G +58604 O O1G B DGD HH . ? 1.0679 0.7600 0.7589 0.0290 -0.0183 -0.0261 517 DGD c O1G +58605 C C1G A DGD HH . ? 1.0195 0.7150 0.7131 0.0331 -0.0162 -0.0243 517 DGD c C1G +58606 C C1G B DGD HH . ? 1.0197 0.7146 0.7130 0.0330 -0.0162 -0.0244 517 DGD c C1G +58607 C C2G A DGD HH . ? 1.0893 0.7793 0.7759 0.0382 -0.0146 -0.0252 517 DGD c C2G +58608 C C2G B DGD HH . ? 1.0897 0.7797 0.7763 0.0381 -0.0147 -0.0252 517 DGD c C2G +58609 O O2G A DGD HH . ? 1.0779 0.7710 0.7636 0.0392 -0.0144 -0.0258 517 DGD c O2G +58610 O O2G B DGD HH . ? 1.0787 0.7721 0.7647 0.0390 -0.0145 -0.0258 517 DGD c O2G +58611 C C3G A DGD HH . ? 1.0058 0.6838 0.6837 0.0377 -0.0155 -0.0271 517 DGD c C3G +58612 C C3G B DGD HH . ? 1.0038 0.6817 0.6816 0.0379 -0.0154 -0.0271 517 DGD c C3G +58613 O O3G A DGD HH . ? 1.0460 0.7204 0.7247 0.0356 -0.0160 -0.0266 517 DGD c O3G +58614 O O3G B DGD HH . ? 1.0461 0.7206 0.7248 0.0355 -0.0160 -0.0267 517 DGD c O3G +58615 C C1D A DGD HH . ? 1.0103 0.6823 0.6874 0.0398 -0.0143 -0.0257 517 DGD c C1D +58616 C C1D B DGD HH . ? 1.0094 0.6812 0.6865 0.0396 -0.0144 -0.0257 517 DGD c C1D +58617 C C2D A DGD HH . ? 1.0768 0.7406 0.7508 0.0376 -0.0150 -0.0260 517 DGD c C2D +58618 C C2D B DGD HH . ? 1.0747 0.7389 0.7492 0.0371 -0.0151 -0.0259 517 DGD c C2D +58619 O O2D A DGD HH . ? 1.1423 0.7958 0.8078 0.0366 -0.0160 -0.0282 517 DGD c O2D +58620 O O2D B DGD HH . ? 1.1466 0.8003 0.8128 0.0358 -0.0161 -0.0281 517 DGD c O2D +58621 C C3D A DGD HH . ? 1.0894 0.7514 0.7626 0.0418 -0.0135 -0.0247 517 DGD c C3D +58622 C C3D B DGD HH . ? 1.0897 0.7519 0.7632 0.0414 -0.0136 -0.0247 517 DGD c C3D +58623 O O3D A DGD HH . ? 1.0200 0.6738 0.6897 0.0396 -0.0141 -0.0249 517 DGD c O3D +58624 O O3D B DGD HH . ? 1.0217 0.6762 0.6922 0.0391 -0.0142 -0.0247 517 DGD c O3D +58625 C C4D A DGD HH . ? 1.0378 0.7110 0.7198 0.0432 -0.0125 -0.0225 517 DGD c C4D +58626 C C4D B DGD HH . ? 1.0388 0.7122 0.7210 0.0429 -0.0126 -0.0225 517 DGD c C4D +58627 O O4D A DGD HH . ? 0.9913 0.6687 0.6793 0.0384 -0.0136 -0.0215 517 DGD c O4D +58628 O O4D B DGD HH . ? 0.9896 0.6674 0.6780 0.0381 -0.0137 -0.0214 517 DGD c O4D +58629 C C5D A DGD HH . ? 0.9865 0.6680 0.6719 0.0449 -0.0118 -0.0224 517 DGD c C5D +58630 C C5D B DGD HH . ? 0.9862 0.6675 0.6715 0.0448 -0.0119 -0.0224 517 DGD c C5D +58631 O O5D A DGD HH . ? 0.9536 0.6473 0.6491 0.0493 -0.0098 -0.0191 517 DGD c O5D +58632 O O5D B DGD HH . ? 0.9551 0.6483 0.6503 0.0493 -0.0098 -0.0192 517 DGD c O5D +58633 C C6D A DGD HH . ? 0.9419 0.6352 0.6365 0.0456 -0.0110 -0.0203 517 DGD c C6D +58634 C C6D B DGD HH . ? 0.9416 0.6346 0.6361 0.0454 -0.0110 -0.0203 517 DGD c C6D +58635 O O6D A DGD HH . ? 1.0173 0.6993 0.7026 0.0409 -0.0133 -0.0235 517 DGD c O6D +58636 O O6D B DGD HH . ? 1.0183 0.7002 0.7034 0.0409 -0.0133 -0.0236 517 DGD c O6D +58637 C C1E A DGD HH . ? 0.9716 0.6655 0.6646 0.0549 -0.0080 -0.0194 517 DGD c C1E +58638 C C1E B DGD HH . ? 0.9713 0.6653 0.6643 0.0548 -0.0081 -0.0194 517 DGD c C1E +58639 C C2E A DGD HH . ? 0.9342 0.6368 0.6340 0.0579 -0.0068 -0.0175 517 DGD c C2E +58640 C C2E B DGD HH . ? 0.9331 0.6357 0.6329 0.0578 -0.0068 -0.0175 517 DGD c C2E +58641 O O2E A DGD HH . ? 0.9634 0.6759 0.6713 0.0549 -0.0070 -0.0164 517 DGD c O2E +58642 O O2E B DGD HH . ? 0.9650 0.6777 0.6730 0.0548 -0.0071 -0.0164 517 DGD c O2E +58643 C C3E A DGD HH . ? 0.9685 0.6677 0.6682 0.0584 -0.0071 -0.0166 517 DGD c C3E +58644 C C3E B DGD HH . ? 0.9693 0.6684 0.6689 0.0582 -0.0071 -0.0166 517 DGD c C3E +58645 O O3E A DGD HH . ? 0.9081 0.6148 0.6133 0.0621 -0.0059 -0.0152 517 DGD c O3E +58646 O O3E B DGD HH . ? 0.9072 0.6141 0.6127 0.0616 -0.0060 -0.0151 517 DGD c O3E +58647 C C4E A DGD HH . ? 0.9664 0.6537 0.6568 0.0609 -0.0070 -0.0179 517 DGD c C4E +58648 C C4E B DGD HH . ? 0.9672 0.6545 0.6575 0.0608 -0.0071 -0.0179 517 DGD c C4E +58649 O O4E A DGD HH . ? 0.9435 0.6319 0.6321 0.0667 -0.0054 -0.0182 517 DGD c O4E +58650 O O4E B DGD HH . ? 0.9438 0.6321 0.6323 0.0667 -0.0054 -0.0183 517 DGD c O4E +58651 C C5E A DGD HH . ? 0.9572 0.6363 0.6413 0.0575 -0.0082 -0.0197 517 DGD c C5E +58652 C C5E B DGD HH . ? 0.9558 0.6350 0.6398 0.0574 -0.0082 -0.0198 517 DGD c C5E +58653 O O6E A DGD HH . ? 0.9945 0.6775 0.6791 0.0572 -0.0080 -0.0205 517 DGD c O6E +58654 O O6E B DGD HH . ? 0.9950 0.6782 0.6796 0.0574 -0.0079 -0.0206 517 DGD c O6E +58655 C C6E A DGD HH . ? 0.9969 0.6634 0.6712 0.0597 -0.0082 -0.0211 517 DGD c C6E +58656 C C6E B DGD HH . ? 0.9958 0.6625 0.6701 0.0596 -0.0082 -0.0211 517 DGD c C6E +58657 O O5E A DGD HH . ? 1.0844 0.7505 0.7555 0.0656 -0.0066 -0.0216 517 DGD c O5E +58658 O O5E B DGD HH . ? 1.0864 0.7524 0.7574 0.0656 -0.0066 -0.0217 517 DGD c O5E +58659 C C1A . DGD IH . ? 1.0914 0.8089 0.8195 -0.0009 -0.0269 -0.0238 518 DGD c C1A +58660 C C2A . DGD IH . ? 1.0602 0.7878 0.7967 -0.0028 -0.0275 -0.0226 518 DGD c C2A +58661 C C3A . DGD IH . ? 1.0337 0.7659 0.7703 -0.0004 -0.0277 -0.0227 518 DGD c C3A +58662 C C4A . DGD IH . ? 1.1572 0.8981 0.9010 -0.0030 -0.0289 -0.0221 518 DGD c C4A +58663 C C5A . DGD IH . ? 1.1082 0.8550 0.8534 0.0000 -0.0283 -0.0212 518 DGD c C5A +58664 C C6A . DGD IH . ? 1.2123 0.9677 0.9648 -0.0024 -0.0295 -0.0205 518 DGD c C6A +58665 C C7A . DGD IH . ? 1.1391 0.9012 0.8946 0.0007 -0.0281 -0.0187 518 DGD c C7A +58666 C C8A . DGD IH . ? 1.0434 0.8137 0.8060 -0.0017 -0.0292 -0.0179 518 DGD c C8A +58667 C C9A . DGD IH . ? 1.1197 0.8950 0.8831 0.0010 -0.0285 -0.0170 518 DGD c C9A +58668 C CAA . DGD IH . ? 1.2905 1.0739 1.0611 -0.0009 -0.0293 -0.0158 518 DGD c CAA +58669 C CBA . DGD IH . ? 1.2072 0.9911 0.9790 -0.0047 -0.0320 -0.0173 518 DGD c CBA +58670 C CCA . DGD IH . ? 1.1824 0.9741 0.9601 -0.0056 -0.0328 -0.0163 518 DGD c CCA +58671 C CDA . DGD IH . ? 1.1686 0.9606 0.9460 -0.0081 -0.0356 -0.0180 518 DGD c CDA +58672 C CEA . DGD IH . ? 0.9938 0.7907 0.7723 -0.0067 -0.0361 -0.0173 518 DGD c CEA +58673 C CFA . DGD IH . ? 1.2769 1.0748 1.0557 -0.0091 -0.0391 -0.0189 518 DGD c CFA +58674 C CGA . DGD IH . ? 1.1527 0.9512 0.9280 -0.0068 -0.0397 -0.0189 518 DGD c CGA +58675 O O1A . DGD IH . ? 1.1332 0.8442 0.8569 -0.0033 -0.0281 -0.0257 518 DGD c O1A +58676 C C1B . DGD IH . ? 0.9840 0.6961 0.6999 0.0180 -0.0202 -0.0215 518 DGD c C1B +58677 C C2B . DGD IH . ? 1.0108 0.7222 0.7225 0.0210 -0.0198 -0.0224 518 DGD c C2B +58678 C C3B . DGD IH . ? 1.0736 0.7926 0.7890 0.0249 -0.0180 -0.0208 518 DGD c C3B +58679 C C4B . DGD IH . ? 1.0162 0.7453 0.7399 0.0228 -0.0184 -0.0195 518 DGD c C4B +58680 C C5B . DGD IH . ? 1.0853 0.8157 0.8097 0.0189 -0.0205 -0.0206 518 DGD c C5B +58681 C C6B . DGD IH . ? 1.0830 0.8235 0.8146 0.0185 -0.0203 -0.0190 518 DGD c C6B +58682 C C7B . DGD IH . ? 1.1947 0.9383 0.9281 0.0152 -0.0223 -0.0198 518 DGD c C7B +58683 C C8B . DGD IH . ? 1.2300 0.9833 0.9703 0.0156 -0.0216 -0.0179 518 DGD c C8B +58684 C C9B . DGD IH . ? 1.5156 1.2726 1.2574 0.0134 -0.0233 -0.0184 518 DGD c C9B +58685 C CAB . DGD IH . ? 1.4400 1.2046 1.1857 0.0155 -0.0219 -0.0168 518 DGD c CAB +58686 C CBB . DGD IH . ? 1.4904 1.2567 1.2348 0.0146 -0.0233 -0.0175 518 DGD c CBB +58687 C CCB . DGD IH . ? 1.4162 1.1875 1.1616 0.0177 -0.0213 -0.0162 518 DGD c CCB +58688 C CDB . DGD IH . ? 1.5871 1.3575 1.3285 0.0178 -0.0224 -0.0171 518 DGD c CDB +58689 C CEB . DGD IH . ? 1.7974 1.5649 1.5329 0.0219 -0.0202 -0.0173 518 DGD c CEB +58690 C CFB . DGD IH . ? 1.7969 1.5655 1.5295 0.0227 -0.0205 -0.0176 518 DGD c CFB +58691 C CGB . DGD IH . ? 1.8327 1.5953 1.5592 0.0211 -0.0232 -0.0198 518 DGD c CGB +58692 O O1B . DGD IH . ? 0.9778 0.6941 0.6980 0.0193 -0.0190 -0.0197 518 DGD c O1B +58693 O O1G . DGD IH . ? 0.9675 0.6829 0.6927 0.0040 -0.0248 -0.0226 518 DGD c O1G +58694 C C1G . DGD IH . ? 0.9088 0.6150 0.6277 0.0053 -0.0240 -0.0232 518 DGD c C1G +58695 C C2G . DGD IH . ? 0.9099 0.6168 0.6274 0.0109 -0.0220 -0.0219 518 DGD c C2G +58696 O O2G . DGD IH . ? 0.9627 0.6702 0.6774 0.0132 -0.0220 -0.0228 518 DGD c O2G +58697 C C3G . DGD IH . ? 0.9779 0.6752 0.6889 0.0127 -0.0211 -0.0222 518 DGD c C3G +58698 O O3G . DGD IH . ? 0.8794 0.5755 0.5928 0.0093 -0.0213 -0.0216 518 DGD c O3G +58699 C C1D . DGD IH . ? 0.9084 0.5957 0.6162 0.0106 -0.0205 -0.0216 518 DGD c C1D +58700 C C2D . DGD IH . ? 0.8968 0.5829 0.6072 0.0059 -0.0210 -0.0213 518 DGD c C2D +58701 O O2D . DGD IH . ? 0.9135 0.5982 0.6235 0.0013 -0.0228 -0.0232 518 DGD c O2D +58702 C C3D . DGD IH . ? 0.9142 0.5907 0.6186 0.0070 -0.0201 -0.0211 518 DGD c C3D +58703 O O3D . DGD IH . ? 0.8511 0.5265 0.5578 0.0027 -0.0203 -0.0206 518 DGD c O3D +58704 C C4D . DGD IH . ? 0.9312 0.6097 0.6359 0.0125 -0.0185 -0.0194 518 DGD c C4D +58705 O O4D . DGD IH . ? 0.8828 0.5710 0.5958 0.0118 -0.0182 -0.0175 518 DGD c O4D +58706 C C5D . DGD IH . ? 0.8912 0.5721 0.5943 0.0171 -0.0180 -0.0198 518 DGD c C5D +58707 O O5D . DGD IH . ? 0.9896 0.6666 0.6900 0.0235 -0.0159 -0.0176 518 DGD c O5D +58708 C C6D . DGD IH . ? 0.9040 0.5881 0.6083 0.0226 -0.0165 -0.0182 518 DGD c C6D +58709 O O6D . DGD IH . ? 0.9433 0.6327 0.6518 0.0155 -0.0188 -0.0200 518 DGD c O6D +58710 C C1E . DGD IH . ? 1.0312 0.7061 0.7284 0.0294 -0.0146 -0.0171 518 DGD c C1E +58711 C C2E . DGD IH . ? 1.0304 0.6990 0.7247 0.0300 -0.0142 -0.0161 518 DGD c C2E +58712 O O2E . DGD IH . ? 0.9271 0.6017 0.6281 0.0271 -0.0144 -0.0146 518 DGD c O2E +58713 C C3E . DGD IH . ? 1.0433 0.6999 0.7299 0.0272 -0.0147 -0.0176 518 DGD c C3E +58714 O O3E . DGD IH . ? 1.0739 0.7237 0.7567 0.0285 -0.0142 -0.0167 518 DGD c O3E +58715 C C4E . DGD IH . ? 1.0814 0.7313 0.7607 0.0299 -0.0147 -0.0194 518 DGD c C4E +58716 O O4E . DGD IH . ? 0.9717 0.6202 0.6481 0.0362 -0.0135 -0.0189 518 DGD c O4E +58717 C C5E . DGD IH . ? 1.0060 0.6631 0.6889 0.0289 -0.0153 -0.0203 518 DGD c C5E +58718 O O6E . DGD IH . ? 1.0506 0.7188 0.7406 0.0316 -0.0145 -0.0188 518 DGD c O6E +58719 C C6E . DGD IH . ? 1.0648 0.7151 0.7402 0.0312 -0.0152 -0.0223 518 DGD c C6E +58720 O O5E . DGD IH . ? 1.2572 0.9156 0.9365 0.0315 -0.0155 -0.0226 518 DGD c O5E +58721 C C1 . LMG JH . ? 1.1932 0.8405 0.8455 0.0535 -0.0111 -0.0293 519 LMG c C1 +58722 O O1 . LMG JH . ? 1.2137 0.8617 0.8640 0.0525 -0.0116 -0.0307 519 LMG c O1 +58723 C C2 . LMG JH . ? 1.1404 0.7976 0.7994 0.0573 -0.0092 -0.0273 519 LMG c C2 +58724 O O2 . LMG JH . ? 1.0191 0.6868 0.6864 0.0543 -0.0097 -0.0262 519 LMG c O2 +58725 C C3 . LMG JH . ? 1.0844 0.7406 0.7450 0.0590 -0.0087 -0.0260 519 LMG c C3 +58726 O O3 . LMG JH . ? 1.0123 0.6773 0.6785 0.0632 -0.0070 -0.0244 519 LMG c O3 +58727 C C4 . LMG JH . ? 1.1356 0.7797 0.7869 0.0618 -0.0085 -0.0272 519 LMG c C4 +58728 O O4 . LMG JH . ? 1.1018 0.7455 0.7497 0.0678 -0.0067 -0.0277 519 LMG c O4 +58729 C C5 . LMG JH . ? 1.1270 0.7610 0.7713 0.0580 -0.0101 -0.0292 519 LMG c C5 +58730 O O5 . LMG JH . ? 1.4749 1.0874 1.1047 0.0565 -0.0113 -0.0316 519 LMG c O5 +58731 C C6 . LMG JH . ? 1.1042 0.7258 0.7385 0.0612 -0.0097 -0.0305 519 LMG c C6 +58732 O O6 . LMG JH . ? 1.1387 0.7749 0.7825 0.0563 -0.0107 -0.0304 519 LMG c O6 +58733 C C7 . LMG JH . ? 1.1732 0.8142 0.8190 0.0480 -0.0137 -0.0325 519 LMG c C7 +58734 C C8 . LMG JH . ? 1.3827 1.0268 1.0277 0.0477 -0.0141 -0.0336 519 LMG c C8 +58735 C C9 . LMG JH . ? 1.2085 0.8650 0.8631 0.0460 -0.0141 -0.0318 519 LMG c C9 +58736 O O7 . LMG JH . ? 1.6432 1.2813 1.2840 0.0434 -0.0163 -0.0356 519 LMG c O7 +58737 C C10 . LMG JH . ? 1.5557 1.1838 1.1865 0.0458 -0.0163 -0.0377 519 LMG c C10 +58738 O O9 . LMG JH . ? 1.4642 1.0903 1.0915 0.0510 -0.0143 -0.0376 519 LMG c O9 +58739 C C11 . LMG JH . ? 1.2504 0.8711 0.8756 0.0417 -0.0186 -0.0402 519 LMG c C11 +58740 C C12 . LMG JH . ? 1.3063 0.9301 0.9299 0.0425 -0.0190 -0.0412 519 LMG c C12 +58741 C C13 . LMG JH . ? 1.3388 0.9703 0.9691 0.0376 -0.0210 -0.0409 519 LMG c C13 +58742 C C14 . LMG JH . ? 1.6363 1.2742 1.2676 0.0394 -0.0206 -0.0408 519 LMG c C14 +58743 C C15 . LMG JH . ? 1.4687 1.1135 1.1060 0.0345 -0.0228 -0.0407 519 LMG c C15 +58744 C C16 . LMG JH . ? 1.7336 1.3843 1.3714 0.0362 -0.0226 -0.0406 519 LMG c C16 +58745 C C17 . LMG JH . ? 1.8933 1.5528 1.5389 0.0321 -0.0243 -0.0397 519 LMG c C17 +58746 C C18 . LMG JH . ? 1.8013 1.4658 1.4468 0.0334 -0.0243 -0.0396 519 LMG c C18 +58747 C C19 . LMG JH . ? 1.7440 1.4190 1.3986 0.0307 -0.0250 -0.0379 519 LMG c C19 +58748 C C20 . LMG JH . ? 1.7093 1.3887 1.3632 0.0321 -0.0250 -0.0378 519 LMG c C20 +58749 C C21 . LMG JH . ? 1.6508 1.3404 1.3136 0.0298 -0.0255 -0.0360 519 LMG c C21 +58750 C C22 . LMG JH . ? 1.9480 1.6409 1.6091 0.0310 -0.0257 -0.0360 519 LMG c C22 +58751 C C23 . LMG JH . ? 2.0476 1.7507 1.7173 0.0295 -0.0258 -0.0340 519 LMG c C23 +58752 C C24 . LMG JH . ? 2.2503 1.9556 1.9251 0.0244 -0.0288 -0.0344 519 LMG c C24 +58753 C C25 . LMG JH . ? 2.0650 1.7802 1.7483 0.0230 -0.0289 -0.0323 519 LMG c C25 +58754 O O8 . LMG JH . ? 1.2563 0.9159 0.9099 0.0463 -0.0142 -0.0326 519 LMG c O8 +58755 C C28 . LMG JH . ? 1.4191 1.0832 1.0767 0.0414 -0.0163 -0.0328 519 LMG c C28 +58756 O O10 . LMG JH . ? 1.4368 1.0994 1.0963 0.0370 -0.0181 -0.0330 519 LMG c O10 +58757 C C29 . LMG JH . ? 1.6144 1.2846 1.2733 0.0419 -0.0162 -0.0329 519 LMG c C29 +58758 C C30 . LMG JH . ? 1.5475 1.2268 1.2150 0.0379 -0.0175 -0.0316 519 LMG c C30 +58759 C C31 . LMG JH . ? 1.4883 1.1701 1.1550 0.0364 -0.0187 -0.0325 519 LMG c C31 +58760 C C32 . LMG JH . ? 1.3659 1.0589 1.0412 0.0354 -0.0185 -0.0306 519 LMG c C32 +58761 C C33 . LMG JH . ? 1.2588 0.9570 0.9353 0.0401 -0.0156 -0.0292 519 LMG c C33 +58762 C C34 . LMG JH . ? 1.4522 1.1561 1.1302 0.0397 -0.0158 -0.0289 519 LMG c C34 +58763 C C35 . LMG JH . ? 1.4744 1.1879 1.1617 0.0370 -0.0163 -0.0270 519 LMG c C35 +58764 C C36 . LMG JH . ? 1.6057 1.3271 1.2979 0.0403 -0.0134 -0.0250 519 LMG c C36 +58765 C C37 . LMG JH . ? 1.4291 1.1580 1.1256 0.0390 -0.0136 -0.0240 519 LMG c C37 +58766 C C38 . LMG JH . ? 1.2755 1.0102 0.9740 0.0427 -0.0105 -0.0225 519 LMG c C38 +58767 C C39 . LMG JH . ? 1.2798 1.0204 0.9853 0.0440 -0.0087 -0.0206 519 LMG c C39 +58768 C C40 . LMG JH . ? 1.2456 0.9932 0.9543 0.0469 -0.0058 -0.0191 519 LMG c C40 +58769 C C41 . LMG JH . ? 1.4031 1.1578 1.1200 0.0473 -0.0046 -0.0172 519 LMG c C41 +58770 C C42 . LMG JH . ? 1.3339 1.0970 1.0557 0.0487 -0.0023 -0.0156 519 LMG c C42 +58771 C C43 . LMG JH . ? 1.2474 1.0182 0.9781 0.0475 -0.0020 -0.0138 519 LMG c C43 +58772 C C1 . LMG KH . ? 2.2514 1.8885 1.8451 0.1813 0.0339 -0.0439 520 LMG c C1 +58773 O O1 . LMG KH . ? 2.3592 2.0102 1.9619 0.1839 0.0369 -0.0433 520 LMG c O1 +58774 C C2 . LMG KH . ? 2.1591 1.7932 1.7538 0.1832 0.0319 -0.0431 520 LMG c C2 +58775 O O2 . LMG KH . ? 2.2057 1.8528 1.8123 0.1821 0.0317 -0.0412 520 LMG c O2 +58776 C C3 . LMG KH . ? 1.9796 1.6015 1.5673 0.1781 0.0286 -0.0432 520 LMG c C3 +58777 O O3 . LMG KH . ? 2.1778 1.7949 1.7648 0.1797 0.0267 -0.0425 520 LMG c O3 +58778 C C4 . LMG KH . ? 2.1100 1.7185 1.6852 0.1784 0.0287 -0.0454 520 LMG c C4 +58779 O O4 . LMG KH . ? 2.4786 2.0745 2.0455 0.1816 0.0274 -0.0463 520 LMG c O4 +58780 C C5 . LMG KH . ? 2.1983 1.8087 1.7706 0.1827 0.0320 -0.0470 520 LMG c C5 +58781 O O5 . LMG KH . ? 2.2512 1.8420 1.8042 0.1902 0.0337 -0.0508 520 LMG c O5 +58782 C C6 . LMG KH . ? 2.5051 2.1063 2.0689 0.1900 0.0331 -0.0487 520 LMG c C6 +58783 O O6 . LMG KH . ? 2.1286 1.7539 1.7107 0.1842 0.0347 -0.0461 520 LMG c O6 +58784 C C7 . LMG KH . ? 1.9518 1.6047 1.5525 0.1827 0.0391 -0.0441 520 LMG c C7 +58785 C C8 . LMG KH . ? 2.1965 1.8647 1.8086 0.1801 0.0408 -0.0426 520 LMG c C8 +58786 C C9 . LMG KH . ? 2.0969 1.7664 1.7056 0.1817 0.0441 -0.0438 520 LMG c C9 +58787 O O7 . LMG KH . ? 2.6417 2.3207 2.2633 0.1837 0.0419 -0.0415 520 LMG c O7 +58788 C C10 . LMG KH . ? 2.4046 2.0946 2.0372 0.1791 0.0408 -0.0394 520 LMG c C10 +58789 O O9 . LMG KH . ? 2.3010 1.9915 1.9372 0.1784 0.0385 -0.0384 520 LMG c O9 +58790 C C11 . LMG KH . ? 1.9560 1.6569 1.5957 0.1756 0.0428 -0.0385 520 LMG c C11 +58791 C C12 . LMG KH . ? 1.5423 1.2423 1.1831 0.1679 0.0402 -0.0373 520 LMG c C12 +58792 C C13 . LMG KH . ? 1.6683 1.3800 1.3166 0.1651 0.0424 -0.0362 520 LMG c C13 +58793 C C14 . LMG KH . ? 1.4293 1.1392 1.0768 0.1579 0.0404 -0.0354 520 LMG c C14 +58794 C C15 . LMG KH . ? 1.3428 1.0634 0.9967 0.1558 0.0430 -0.0345 520 LMG c C15 +58795 C C16 . LMG KH . ? 1.4397 1.1584 1.0925 0.1489 0.0409 -0.0338 520 LMG c C16 +58796 C C17 . LMG KH . ? 1.3995 1.1264 1.0560 0.1472 0.0436 -0.0332 520 LMG c C17 +58797 C C18 . LMG KH . ? 1.3478 1.0720 1.0025 0.1407 0.0414 -0.0326 520 LMG c C18 +58798 C C19 . LMG KH . ? 1.2593 0.9880 0.9138 0.1397 0.0441 -0.0325 520 LMG c C19 +58799 C C20 . LMG KH . ? 1.2728 0.9992 0.9258 0.1335 0.0417 -0.0318 520 LMG c C20 +58800 C C21 . LMG KH . ? 1.2530 0.9833 0.9051 0.1327 0.0444 -0.0316 520 LMG c C21 +58801 C C22 . LMG KH . ? 1.1821 0.9082 0.8308 0.1271 0.0417 -0.0314 520 LMG c C22 +58802 C C23 . LMG KH . ? 1.1866 0.9182 0.8363 0.1256 0.0441 -0.0307 520 LMG c C23 +58803 C C24 . LMG KH . ? 1.1428 0.8703 0.7892 0.1202 0.0411 -0.0304 520 LMG c C24 +58804 C C25 . LMG KH . ? 1.2158 0.9479 0.8623 0.1190 0.0434 -0.0297 520 LMG c C25 +58805 O O8 . LMG KH . ? 2.1830 1.8635 1.7996 0.1776 0.0453 -0.0424 520 LMG c O8 +58806 C C28 . LMG KH . ? 2.1104 1.7877 1.7218 0.1740 0.0458 -0.0430 520 LMG c C28 +58807 O O10 . LMG KH . ? 2.0720 1.7375 1.6742 0.1721 0.0437 -0.0441 520 LMG c O10 +58808 C C29 . LMG KH . ? 1.9604 1.6485 1.5776 0.1728 0.0488 -0.0423 520 LMG c C29 +58809 C C30 . LMG KH . ? 1.7983 1.4846 1.4137 0.1661 0.0472 -0.0417 520 LMG c C30 +58810 C C31 . LMG KH . ? 1.7804 1.4561 1.3841 0.1663 0.0476 -0.0436 520 LMG c C31 +58811 C C32 . LMG KH . ? 1.8799 1.5571 1.4833 0.1606 0.0470 -0.0430 520 LMG c C32 +58812 C C33 . LMG KH . ? 1.8725 1.5631 1.4846 0.1604 0.0503 -0.0416 520 LMG c C33 +58813 C C34 . LMG KH . ? 1.8019 1.4920 1.4105 0.1567 0.0508 -0.0416 520 LMG c C34 +58814 C C35 . LMG KH . ? 1.9457 1.6491 1.5647 0.1541 0.0526 -0.0395 520 LMG c C35 +58815 C C36 . LMG KH . ? 1.9969 1.6997 1.6127 0.1500 0.0528 -0.0393 520 LMG c C36 +58816 C C37 . LMG KH . ? 1.9674 1.6820 1.5937 0.1460 0.0532 -0.0370 520 LMG c C37 +58817 C C38 . LMG KH . ? 1.8134 1.5278 1.4365 0.1424 0.0536 -0.0366 520 LMG c C38 +58818 C C39 . LMG KH . ? 1.8033 1.5289 1.4369 0.1383 0.0538 -0.0343 520 LMG c C39 +58819 C C40 . LMG KH . ? 1.7660 1.4926 1.3971 0.1353 0.0549 -0.0337 520 LMG c C40 +58820 C C41 . LMG KH . ? 1.9842 1.7123 1.6117 0.1395 0.0597 -0.0345 520 LMG c C41 +58821 C C42 . LMG KH . ? 2.0721 1.8060 1.7016 0.1366 0.0618 -0.0331 520 LMG c C42 +58822 C C43 . LMG KH . ? 2.0532 1.7887 1.6792 0.1406 0.0668 -0.0338 520 LMG c C43 +58823 C C1 . HTG LH . ? 1.9793 1.7277 1.6554 0.1840 0.0508 -0.0360 521 HTG c C1 +58824 S S1 . HTG LH . ? 1.9446 1.6950 1.6213 0.1765 0.0511 -0.0350 521 HTG c S1 +58825 C C2 . HTG LH . ? 1.9253 1.6691 1.6016 0.1822 0.0466 -0.0351 521 HTG c C2 +58826 O O2 . HTG LH . ? 1.8958 1.6257 1.5618 0.1793 0.0441 -0.0356 521 HTG c O2 +58827 C C3 . HTG LH . ? 2.1058 1.8494 1.7830 0.1886 0.0461 -0.0357 521 HTG c C3 +58828 O O3 . HTG LH . ? 1.5329 1.2738 1.2116 0.1864 0.0424 -0.0345 521 HTG c O3 +58829 C C4 . HTG LH . ? 1.9639 1.7217 1.6512 0.1925 0.0490 -0.0356 521 HTG c C4 +58830 O O4 . HTG LH . ? 1.9047 1.6618 1.5921 0.1990 0.0486 -0.0364 521 HTG c O4 +58831 C C5 . HTG LH . ? 1.6392 1.4001 1.3251 0.1942 0.0532 -0.0367 521 HTG c C5 +58832 O O5 . HTG LH . ? 1.7398 1.5008 1.4250 0.1880 0.0536 -0.0360 521 HTG c O5 +58833 C C6 . HTG LH . ? 1.7307 1.5063 1.4272 0.1978 0.0563 -0.0368 521 HTG c C6 +58834 O O6 . HTG LH . ? 1.7405 1.5177 1.4345 0.2005 0.0604 -0.0380 521 HTG c O6 +58835 C "C1'" . HTG LH . ? 1.6687 1.4167 1.3387 0.1781 0.0550 -0.0364 521 HTG c "C1'" +58836 C "C2'" . HTG LH . ? 1.7568 1.4976 1.4205 0.1722 0.0534 -0.0362 521 HTG c "C2'" +58837 C "C3'" . HTG LH . ? 1.7928 1.5344 1.4530 0.1719 0.0567 -0.0368 521 HTG c "C3'" +58838 C "C4'" . HTG LH . ? 1.8812 1.6183 1.5378 0.1654 0.0548 -0.0362 521 HTG c "C4'" +58839 C "C5'" . HTG LH . ? 1.8767 1.6123 1.5276 0.1654 0.0577 -0.0370 521 HTG c "C5'" +58840 C "C6'" . HTG LH . ? 1.8855 1.6188 1.5344 0.1589 0.0560 -0.0361 521 HTG c "C6'" +58841 C "C7'" . HTG LH . ? 1.6074 1.3529 1.2655 0.1558 0.0579 -0.0344 521 HTG c "C7'" +58842 CA CA . CA MH . ? 1.0715 0.9321 0.7945 0.0859 0.1093 0.0003 522 CA c CA +58843 CA CA . CA NH . ? 1.2274 0.9231 0.7865 0.0600 -0.0227 -0.0234 523 CA c CA +58844 C C10 A UNL OH . ? 1.4492 1.1945 1.1220 0.0213 -0.0486 -0.0314 524 UNL c C10 +58845 C C11 A UNL OH . ? 1.4977 1.2480 1.1800 0.0193 -0.0471 -0.0301 524 UNL c C11 +58846 C C12 A UNL OH . ? 1.4453 1.1922 1.1264 0.0203 -0.0442 -0.0302 524 UNL c C12 +58847 C C13 A UNL OH . ? 1.5445 1.2956 1.2345 0.0181 -0.0434 -0.0293 524 UNL c C13 +58848 C C14 A UNL OH . ? 1.5431 1.2908 1.2316 0.0196 -0.0402 -0.0292 524 UNL c C14 +58849 C C15 A UNL OH . ? 1.5709 1.3205 1.2663 0.0170 -0.0404 -0.0292 524 UNL c C15 +58850 C C16 A UNL OH . ? 1.6297 1.3762 1.3237 0.0189 -0.0371 -0.0288 524 UNL c C16 +58851 C C17 A UNL OH . ? 1.7413 1.4850 1.4374 0.0164 -0.0383 -0.0301 524 UNL c C17 +58852 C C18 A UNL OH . ? 1.7025 1.4524 1.4080 0.0145 -0.0375 -0.0284 524 UNL c C18 +58853 C C19 A UNL OH . ? 1.6059 1.3524 1.3127 0.0121 -0.0384 -0.0296 524 UNL c C19 +58854 C C23 A UNL OH . ? 1.7084 1.4757 1.4013 0.0198 -0.0479 -0.0242 524 UNL c C23 +58855 C C24 A UNL OH . ? 1.5693 1.3360 1.2633 0.0209 -0.0437 -0.0232 524 UNL c C24 +58856 C C25 A UNL OH . ? 1.4243 1.1973 1.1282 0.0191 -0.0422 -0.0215 524 UNL c C25 +58857 C C26 A UNL OH . ? 1.5272 1.3008 1.2361 0.0160 -0.0446 -0.0231 524 UNL c C26 +58858 C C27 A UNL OH . ? 1.5936 1.3639 1.3019 0.0162 -0.0425 -0.0237 524 UNL c C27 +58859 C C28 A UNL OH . ? 1.4775 1.2528 1.1937 0.0156 -0.0398 -0.0217 524 UNL c C28 +58860 C C29 A UNL OH . ? 1.6532 1.4252 1.3695 0.0151 -0.0389 -0.0227 524 UNL c C29 +58861 C C30 A UNL OH . ? 1.7210 1.4977 1.4451 0.0144 -0.0366 -0.0209 524 UNL c C30 +58862 C C31 A UNL OH . ? 1.7261 1.4986 1.4492 0.0143 -0.0357 -0.0219 524 UNL c C31 +58863 C C32 A UNL OH . ? 1.7725 1.5494 1.5029 0.0138 -0.0335 -0.0202 524 UNL c C32 +58864 C C33 A UNL OH . ? 1.7695 1.5417 1.4982 0.0141 -0.0325 -0.0210 524 UNL c C33 +58865 C C4 A UNL OH . ? 1.7129 1.4648 1.3742 0.0299 -0.0442 -0.0236 524 UNL c C4 +58866 C C5 A UNL OH . ? 1.6919 1.4460 1.3599 0.0267 -0.0474 -0.0253 524 UNL c C5 +58867 C C6 A UNL OH . ? 1.4731 1.2336 1.1512 0.0252 -0.0451 -0.0233 524 UNL c C6 +58868 C C7 A UNL OH . ? 1.8090 1.5554 1.4719 0.0245 -0.0525 -0.0303 524 UNL c C7 +58869 C C8 A UNL OH . ? 1.5906 1.3346 1.2551 0.0226 -0.0531 -0.0322 524 UNL c C8 +58870 C C9 A UNL OH . ? 1.6002 1.3494 1.2740 0.0213 -0.0504 -0.0304 524 UNL c C9 +58871 O O10 A UNL OH . ? 1.7437 1.5142 1.4422 0.0170 -0.0508 -0.0250 524 UNL c O10 +58872 O O6 A UNL OH . ? 1.7540 1.5003 1.4059 0.0314 -0.0467 -0.0252 524 UNL c O6 +58873 O O7 A UNL OH . ? 1.8804 1.6292 1.5446 0.0266 -0.0477 -0.0275 524 UNL c O7 +58874 O O8 A UNL OH . ? 1.6209 1.3849 1.3057 0.0220 -0.0486 -0.0243 524 UNL c O8 +58875 O O9 A UNL OH . ? 1.9585 1.7047 1.6189 0.0242 -0.0559 -0.0312 524 UNL c O9 +58876 C C10 B UNL OH . ? 1.4480 1.1933 1.1210 0.0211 -0.0487 -0.0314 524 UNL c C10 +58877 C C11 B UNL OH . ? 1.4980 1.2485 1.1805 0.0193 -0.0471 -0.0300 524 UNL c C11 +58878 C C12 B UNL OH . ? 1.4448 1.1917 1.1259 0.0203 -0.0442 -0.0302 524 UNL c C12 +58879 C C13 B UNL OH . ? 1.5447 1.2959 1.2347 0.0181 -0.0433 -0.0293 524 UNL c C13 +58880 C C14 B UNL OH . ? 1.5427 1.2906 1.2313 0.0197 -0.0401 -0.0291 524 UNL c C14 +58881 C C15 B UNL OH . ? 1.5701 1.3201 1.2658 0.0171 -0.0403 -0.0290 524 UNL c C15 +58882 C C16 B UNL OH . ? 1.6290 1.3758 1.3232 0.0190 -0.0370 -0.0287 524 UNL c C16 +58883 C C17 B UNL OH . ? 1.7425 1.4864 1.4386 0.0165 -0.0383 -0.0301 524 UNL c C17 +58884 C C18 B UNL OH . ? 1.7032 1.4531 1.4086 0.0145 -0.0375 -0.0284 524 UNL c C18 +58885 C C19 B UNL OH . ? 1.6056 1.3519 1.3120 0.0122 -0.0383 -0.0296 524 UNL c C19 +58886 C C23 B UNL OH . ? 1.7123 1.4796 1.4051 0.0197 -0.0481 -0.0243 524 UNL c C23 +58887 C C24 B UNL OH . ? 1.5723 1.3389 1.2663 0.0207 -0.0439 -0.0233 524 UNL c C24 +58888 C C25 B UNL OH . ? 1.4233 1.1965 1.1274 0.0190 -0.0425 -0.0216 524 UNL c C25 +58889 C C26 B UNL OH . ? 1.5260 1.2998 1.2351 0.0158 -0.0449 -0.0232 524 UNL c C26 +58890 C C27 B UNL OH . ? 1.5950 1.3653 1.3032 0.0161 -0.0428 -0.0238 524 UNL c C27 +58891 C C28 B UNL OH . ? 1.4760 1.2512 1.1920 0.0157 -0.0399 -0.0218 524 UNL c C28 +58892 C C29 B UNL OH . ? 1.6541 1.4259 1.3700 0.0153 -0.0389 -0.0227 524 UNL c C29 +58893 C C30 B UNL OH . ? 1.7224 1.4990 1.4461 0.0146 -0.0366 -0.0209 524 UNL c C30 +58894 C C31 B UNL OH . ? 1.7268 1.4995 1.4499 0.0143 -0.0357 -0.0219 524 UNL c C31 +58895 C C32 B UNL OH . ? 1.7734 1.5506 1.5040 0.0136 -0.0337 -0.0201 524 UNL c C32 +58896 C C33 B UNL OH . ? 1.7704 1.5431 1.4995 0.0139 -0.0326 -0.0209 524 UNL c C33 +58897 C C4 B UNL OH . ? 1.7147 1.4666 1.3760 0.0300 -0.0442 -0.0236 524 UNL c C4 +58898 C C5 B UNL OH . ? 1.6940 1.4479 1.3617 0.0267 -0.0474 -0.0253 524 UNL c C5 +58899 C C6 B UNL OH . ? 1.4722 1.2325 1.1501 0.0252 -0.0452 -0.0234 524 UNL c C6 +58900 C C7 B UNL OH . ? 1.8111 1.5574 1.4738 0.0245 -0.0524 -0.0303 524 UNL c C7 +58901 C C8 B UNL OH . ? 1.5893 1.3333 1.2538 0.0226 -0.0530 -0.0322 524 UNL c C8 +58902 C C9 B UNL OH . ? 1.6002 1.3495 1.2741 0.0213 -0.0504 -0.0304 524 UNL c C9 +58903 O O10 B UNL OH . ? 1.7461 1.5169 1.4447 0.0170 -0.0510 -0.0250 524 UNL c O10 +58904 O O6 B UNL OH . ? 1.7552 1.5015 1.4070 0.0314 -0.0465 -0.0251 524 UNL c O6 +58905 O O7 B UNL OH . ? 1.8872 1.6357 1.5509 0.0267 -0.0477 -0.0275 524 UNL c O7 +58906 O O8 B UNL OH . ? 1.6224 1.3862 1.3070 0.0220 -0.0488 -0.0245 524 UNL c O8 +58907 O O9 B UNL OH . ? 1.9617 1.7079 1.6220 0.0242 -0.0559 -0.0312 524 UNL c O9 +58908 C C1 A GOL PH . ? 1.1383 0.8792 0.8875 0.0514 -0.0109 -0.0007 525 GOL c C1 +58909 C C1 B GOL PH . ? 1.1438 0.8838 0.8926 0.0513 -0.0110 -0.0006 525 GOL c C1 +58910 O O1 A GOL PH . ? 1.0506 0.7839 0.7958 0.0470 -0.0114 -0.0009 525 GOL c O1 +58911 O O1 B GOL PH . ? 1.0503 0.7832 0.7953 0.0467 -0.0115 -0.0010 525 GOL c O1 +58912 C C2 A GOL PH . ? 1.1529 0.8875 0.8955 0.0563 -0.0103 -0.0017 525 GOL c C2 +58913 C C2 B GOL PH . ? 1.1556 0.8901 0.8982 0.0560 -0.0103 -0.0017 525 GOL c C2 +58914 O O2 A GOL PH . ? 1.1637 0.8889 0.8997 0.0581 -0.0106 -0.0016 525 GOL c O2 +58915 O O2 B GOL PH . ? 1.1763 0.9009 0.9118 0.0578 -0.0106 -0.0018 525 GOL c O2 +58916 C C3 A GOL PH . ? 1.0036 0.7473 0.7514 0.0610 -0.0096 -0.0015 525 GOL c C3 +58917 C C3 B GOL PH . ? 1.0040 0.7474 0.7517 0.0607 -0.0096 -0.0014 525 GOL c C3 +58918 O O3 A GOL PH . ? 1.0872 0.8259 0.8294 0.0653 -0.0089 -0.0026 525 GOL c O3 +58919 O O3 B GOL PH . ? 1.0997 0.8394 0.8427 0.0645 -0.0089 -0.0026 525 GOL c O3 +58920 C C1 . GOL QH . ? 1.5519 1.2041 1.2246 0.0638 -0.0088 -0.0153 526 GOL c C1 +58921 O O1 . GOL QH . ? 1.8391 1.4834 1.5045 0.0643 -0.0087 -0.0173 526 GOL c O1 +58922 C C2 . GOL QH . ? 1.7449 1.4045 1.4212 0.0701 -0.0076 -0.0146 526 GOL c C2 +58923 O O2 . GOL QH . ? 1.6388 1.2915 1.3079 0.0752 -0.0069 -0.0158 526 GOL c O2 +58924 C C3 . GOL QH . ? 1.5118 1.1753 1.1925 0.0710 -0.0079 -0.0127 526 GOL c C3 +58925 O O3 . GOL QH . ? 1.6798 1.3562 1.3693 0.0727 -0.0073 -0.0118 526 GOL c O3 +58926 C C A BCT RH . ? 1.0011 0.8449 0.7813 0.0101 -0.0442 0.0026 401 BCT d C +58927 C C B BCT RH . ? 1.0064 0.8499 0.7858 0.0104 -0.0442 0.0028 401 BCT d C +58928 O O1 A BCT RH . ? 0.8983 0.7435 0.6810 0.0099 -0.0406 0.0042 401 BCT d O1 +58929 O O1 B BCT RH . ? 0.8959 0.7413 0.6787 0.0100 -0.0408 0.0043 401 BCT d O1 +58930 O O2 A BCT RH . ? 0.8835 0.7275 0.6652 0.0089 -0.0465 0.0005 401 BCT d O2 +58931 O O2 B BCT RH . ? 0.9058 0.7490 0.6858 0.0095 -0.0466 0.0007 401 BCT d O2 +58932 O O3 A BCT RH . ? 1.1181 0.9592 0.8926 0.0118 -0.0455 0.0029 401 BCT d O3 +58933 O O3 B BCT RH . ? 1.1531 0.9945 0.9278 0.0120 -0.0454 0.0035 401 BCT d O3 +58934 MG MG A CLA SH . ? 0.6405 0.5204 0.5020 0.0000 -0.0149 0.0100 402 CLA d MG +58935 MG MG B CLA SH . ? 0.6483 0.5282 0.5097 -0.0001 -0.0150 0.0100 402 CLA d MG +58936 C CHA A CLA SH . ? 0.6004 0.4823 0.4675 -0.0063 -0.0184 0.0096 402 CLA d CHA +58937 C CHA B CLA SH . ? 0.5977 0.4796 0.4648 -0.0063 -0.0184 0.0096 402 CLA d CHA +58938 C CHB A CLA SH . ? 0.6154 0.5058 0.4843 -0.0004 -0.0133 0.0123 402 CLA d CHB +58939 C CHB B CLA SH . ? 0.6142 0.5047 0.4831 -0.0005 -0.0133 0.0123 402 CLA d CHB +58940 C CHC A CLA SH . ? 0.6730 0.5503 0.5277 0.0062 -0.0115 0.0097 402 CLA d CHC +58941 C CHC B CLA SH . ? 0.6721 0.5495 0.5267 0.0061 -0.0116 0.0097 402 CLA d CHC +58942 C CHD A CLA SH . ? 0.6862 0.5523 0.5379 -0.0006 -0.0168 0.0072 402 CLA d CHD +58943 C CHD B CLA SH . ? 0.6872 0.5534 0.5389 -0.0006 -0.0168 0.0072 402 CLA d CHD +58944 N NA A CLA SH . ? 0.6329 0.5179 0.4996 -0.0027 -0.0159 0.0108 402 CLA d NA +58945 N NA B CLA SH . ? 0.6331 0.5181 0.4998 -0.0027 -0.0159 0.0108 402 CLA d NA +58946 C C1A A CLA SH . ? 0.6650 0.5505 0.5337 -0.0049 -0.0172 0.0106 402 CLA d C1A +58947 C C1A B CLA SH . ? 0.6660 0.5515 0.5347 -0.0049 -0.0172 0.0106 402 CLA d C1A +58948 C C2A A CLA SH . ? 0.6858 0.5754 0.5583 -0.0061 -0.0175 0.0114 402 CLA d C2A +58949 C C2A B CLA SH . ? 0.6883 0.5780 0.5608 -0.0061 -0.0175 0.0114 402 CLA d C2A +58950 C C3A A CLA SH . ? 0.7119 0.6040 0.5849 -0.0043 -0.0158 0.0123 402 CLA d C3A +58951 C C3A B CLA SH . ? 0.7135 0.6056 0.5865 -0.0043 -0.0158 0.0123 402 CLA d C3A +58952 C C4A A CLA SH . ? 0.6641 0.5531 0.5334 -0.0023 -0.0150 0.0118 402 CLA d C4A +58953 C C4A B CLA SH . ? 0.6654 0.5545 0.5347 -0.0024 -0.0150 0.0118 402 CLA d C4A +58954 C CMA A CLA SH . ? 0.6675 0.5630 0.5449 -0.0045 -0.0152 0.0132 402 CLA d CMA +58955 C CMA B CLA SH . ? 0.6720 0.5677 0.5495 -0.0045 -0.0151 0.0132 402 CLA d CMA +58956 C CAA A CLA SH . ? 0.6051 0.4939 0.4758 -0.0069 -0.0187 0.0109 402 CLA d CAA +58957 C CAA B CLA SH . ? 0.6014 0.4901 0.4720 -0.0070 -0.0187 0.0109 402 CLA d CAA +58958 C CBA A CLA SH . ? 0.6784 0.5638 0.5440 -0.0054 -0.0184 0.0102 402 CLA d CBA +58959 C CBA B CLA SH . ? 0.6744 0.5601 0.5401 -0.0052 -0.0182 0.0104 402 CLA d CBA +58960 C CGA A CLA SH . ? 0.7198 0.6045 0.5831 -0.0055 -0.0193 0.0099 402 CLA d CGA +58961 C CGA B CLA SH . ? 0.7190 0.6036 0.5822 -0.0055 -0.0193 0.0099 402 CLA d CGA +58962 O O1A A CLA SH . ? 0.8146 0.7012 0.6799 -0.0068 -0.0204 0.0101 402 CLA d O1A +58963 O O1A B CLA SH . ? 0.8269 0.7130 0.6919 -0.0070 -0.0206 0.0098 402 CLA d O1A +58964 O O2A A CLA SH . ? 0.7600 0.6414 0.6182 -0.0039 -0.0189 0.0093 402 CLA d O2A +58965 O O2A B CLA SH . ? 0.7647 0.6461 0.6228 -0.0039 -0.0189 0.0093 402 CLA d O2A +58966 N NB A CLA SH . ? 0.6479 0.5314 0.5098 0.0024 -0.0128 0.0109 402 CLA d NB +58967 N NB B CLA SH . ? 0.6446 0.5282 0.5065 0.0023 -0.0128 0.0109 402 CLA d NB +58968 C C1B A CLA SH . ? 0.6307 0.5186 0.4961 0.0019 -0.0122 0.0119 402 CLA d C1B +58969 C C1B B CLA SH . ? 0.6304 0.5184 0.4958 0.0019 -0.0122 0.0119 402 CLA d C1B +58970 C C2B A CLA SH . ? 0.6519 0.5419 0.5170 0.0039 -0.0102 0.0124 402 CLA d C2B +58971 C C2B B CLA SH . ? 0.6521 0.5423 0.5174 0.0039 -0.0102 0.0124 402 CLA d C2B +58972 C C3B A CLA SH . ? 0.7007 0.5870 0.5617 0.0059 -0.0097 0.0115 402 CLA d C3B +58973 C C3B B CLA SH . ? 0.7020 0.5884 0.5631 0.0059 -0.0096 0.0116 402 CLA d C3B +58974 C C4B A CLA SH . ? 0.6504 0.5326 0.5095 0.0048 -0.0114 0.0107 402 CLA d C4B +58975 C C4B B CLA SH . ? 0.6491 0.5314 0.5082 0.0047 -0.0114 0.0107 402 CLA d C4B +58976 C CMB A CLA SH . ? 0.6711 0.5655 0.5392 0.0038 -0.0089 0.0134 402 CLA d CMB +58977 C CMB B CLA SH . ? 0.6715 0.5662 0.5399 0.0038 -0.0089 0.0135 402 CLA d CMB +58978 C CAB A CLA SH . ? 0.6759 0.5626 0.5352 0.0085 -0.0077 0.0116 402 CLA d CAB +58979 C CAB B CLA SH . ? 0.6752 0.5620 0.5346 0.0085 -0.0077 0.0116 402 CLA d CAB +58980 C CBB A CLA SH . ? 0.8178 0.7022 0.6748 0.0106 -0.0071 0.0110 402 CLA d CBB +58981 C CBB B CLA SH . ? 0.8232 0.7072 0.6797 0.0105 -0.0072 0.0109 402 CLA d CBB +58982 N NC A CLA SH . ? 0.6909 0.5640 0.5455 0.0024 -0.0145 0.0087 402 CLA d NC +58983 N NC B CLA SH . ? 0.6914 0.5646 0.5460 0.0023 -0.0145 0.0087 402 CLA d NC +58984 C C1C A CLA SH . ? 0.6593 0.5322 0.5118 0.0050 -0.0130 0.0088 402 CLA d C1C +58985 C C1C B CLA SH . ? 0.6602 0.5332 0.5128 0.0049 -0.0131 0.0088 402 CLA d C1C +58986 C C2C A CLA SH . ? 0.6548 0.5226 0.5026 0.0067 -0.0129 0.0078 402 CLA d C2C +58987 C C2C B CLA SH . ? 0.6533 0.5212 0.5012 0.0066 -0.0128 0.0079 402 CLA d C2C +58988 C C3C A CLA SH . ? 0.6682 0.5325 0.5151 0.0045 -0.0145 0.0072 402 CLA d C3C +58989 C C3C B CLA SH . ? 0.6680 0.5324 0.5149 0.0045 -0.0144 0.0072 402 CLA d C3C +58990 C C4C A CLA SH . ? 0.6466 0.5147 0.4979 0.0020 -0.0153 0.0078 402 CLA d C4C +58991 C C4C B CLA SH . ? 0.6452 0.5134 0.4965 0.0020 -0.0153 0.0078 402 CLA d C4C +58992 C CMC A CLA SH . ? 0.6918 0.5582 0.5364 0.0098 -0.0113 0.0076 402 CLA d CMC +58993 C CMC B CLA SH . ? 0.6914 0.5581 0.5362 0.0098 -0.0112 0.0077 402 CLA d CMC +58994 C CAC A CLA SH . ? 0.7107 0.5687 0.5531 0.0047 -0.0150 0.0061 402 CLA d CAC +58995 C CAC B CLA SH . ? 0.7120 0.5702 0.5545 0.0047 -0.0150 0.0061 402 CLA d CAC +58996 C CBC A CLA SH . ? 0.6807 0.5385 0.5233 0.0070 -0.0139 0.0066 402 CLA d CBC +58997 C CBC B CLA SH . ? 0.6812 0.5392 0.5239 0.0070 -0.0139 0.0066 402 CLA d CBC +58998 N ND A CLA SH . ? 0.6507 0.5258 0.5103 -0.0027 -0.0171 0.0087 402 CLA d ND +58999 N ND B CLA SH . ? 0.6498 0.5249 0.5094 -0.0027 -0.0171 0.0087 402 CLA d ND +59000 C C1D A CLA SH . ? 0.6743 0.5442 0.5304 -0.0029 -0.0177 0.0077 402 CLA d C1D +59001 C C1D B CLA SH . ? 0.6753 0.5452 0.5314 -0.0030 -0.0177 0.0077 402 CLA d C1D +59002 C C2D A CLA SH . ? 0.7034 0.5722 0.5607 -0.0057 -0.0190 0.0072 402 CLA d C2D +59003 C C2D B CLA SH . ? 0.7063 0.5752 0.5636 -0.0057 -0.0190 0.0072 402 CLA d C2D +59004 C C3D A CLA SH . ? 0.6283 0.5024 0.4903 -0.0070 -0.0193 0.0080 402 CLA d C3D +59005 C C3D B CLA SH . ? 0.6268 0.5010 0.4889 -0.0070 -0.0193 0.0080 402 CLA d C3D +59006 C C4D A CLA SH . ? 0.6400 0.5171 0.5028 -0.0052 -0.0182 0.0088 402 CLA d C4D +59007 C C4D B CLA SH . ? 0.6396 0.5167 0.5024 -0.0052 -0.0182 0.0088 402 CLA d C4D +59008 C CMD A CLA SH . ? 0.6189 0.4828 0.4735 -0.0071 -0.0198 0.0061 402 CLA d CMD +59009 C CMD B CLA SH . ? 0.6189 0.4830 0.4737 -0.0072 -0.0198 0.0061 402 CLA d CMD +59010 C CAD A CLA SH . ? 0.6409 0.5183 0.5070 -0.0094 -0.0203 0.0082 402 CLA d CAD +59011 C CAD B CLA SH . ? 0.6410 0.5184 0.5072 -0.0094 -0.0203 0.0082 402 CLA d CAD +59012 O OBD A CLA SH . ? 0.6467 0.5228 0.5136 -0.0115 -0.0212 0.0076 402 CLA d OBD +59013 O OBD B CLA SH . ? 0.6471 0.5232 0.5139 -0.0115 -0.0213 0.0076 402 CLA d OBD +59014 C CBD A CLA SH . ? 0.6667 0.5489 0.5360 -0.0088 -0.0198 0.0093 402 CLA d CBD +59015 C CBD B CLA SH . ? 0.6665 0.5487 0.5358 -0.0089 -0.0198 0.0093 402 CLA d CBD +59016 C CGD A CLA SH . ? 0.7345 0.6201 0.6082 -0.0094 -0.0193 0.0102 402 CLA d CGD +59017 C CGD B CLA SH . ? 0.7375 0.6231 0.6112 -0.0094 -0.0193 0.0103 402 CLA d CGD +59018 O O1D A CLA SH . ? 0.6666 0.5516 0.5405 -0.0086 -0.0186 0.0106 402 CLA d O1D +59019 O O1D B CLA SH . ? 0.6672 0.5522 0.5410 -0.0085 -0.0185 0.0106 402 CLA d O1D +59020 O O2D A CLA SH . ? 0.6847 0.5744 0.5624 -0.0107 -0.0197 0.0108 402 CLA d O2D +59021 O O2D B CLA SH . ? 0.6845 0.5742 0.5623 -0.0108 -0.0198 0.0108 402 CLA d O2D +59022 C CED A CLA SH . ? 0.6485 0.5416 0.5300 -0.0108 -0.0191 0.0118 402 CLA d CED +59023 C CED B CLA SH . ? 0.6489 0.5419 0.5306 -0.0110 -0.0191 0.0118 402 CLA d CED +59024 C C1 A CLA SH . ? 0.7322 0.6128 0.5876 -0.0037 -0.0196 0.0091 402 CLA d C1 +59025 C C1 B CLA SH . ? 0.7321 0.6130 0.5877 -0.0037 -0.0196 0.0092 402 CLA d C1 +59026 C C2 A CLA SH . ? 0.7598 0.6431 0.6161 -0.0025 -0.0179 0.0105 402 CLA d C2 +59027 C C2 B CLA SH . ? 0.7622 0.6458 0.6187 -0.0026 -0.0179 0.0105 402 CLA d C2 +59028 C C3 A CLA SH . ? 0.6877 0.5738 0.5463 -0.0034 -0.0182 0.0113 402 CLA d C3 +59029 C C3 B CLA SH . ? 0.6866 0.5729 0.5455 -0.0034 -0.0182 0.0114 402 CLA d C3 +59030 C C4 A CLA SH . ? 0.6829 0.5699 0.5438 -0.0053 -0.0205 0.0109 402 CLA d C4 +59031 C C4 B CLA SH . ? 0.6824 0.5696 0.5435 -0.0054 -0.0205 0.0109 402 CLA d C4 +59032 C C5 A CLA SH . ? 0.6772 0.5655 0.5363 -0.0023 -0.0163 0.0126 402 CLA d C5 +59033 C C5 B CLA SH . ? 0.6769 0.5655 0.5364 -0.0025 -0.0163 0.0127 402 CLA d C5 +59034 C C6 A CLA SH . ? 0.7677 0.6603 0.6323 -0.0030 -0.0152 0.0137 402 CLA d C6 +59035 C C6 B CLA SH . ? 0.7666 0.6594 0.6316 -0.0032 -0.0153 0.0138 402 CLA d C6 +59036 C C7 A CLA SH . ? 0.7468 0.6399 0.6132 -0.0026 -0.0144 0.0136 402 CLA d C7 +59037 C C7 B CLA SH . ? 0.7459 0.6394 0.6127 -0.0026 -0.0143 0.0137 402 CLA d C7 +59038 C C8 A CLA SH . ? 0.7905 0.6876 0.6624 -0.0035 -0.0139 0.0144 402 CLA d C8 +59039 C C8 B CLA SH . ? 0.7932 0.6906 0.6654 -0.0036 -0.0139 0.0145 402 CLA d C8 +59040 C C9 A CLA SH . ? 0.6993 0.5966 0.5736 -0.0054 -0.0159 0.0140 402 CLA d C9 +59041 C C9 B CLA SH . ? 0.6921 0.5898 0.5668 -0.0055 -0.0158 0.0141 402 CLA d C9 +59042 C C10 A CLA SH . ? 0.6365 0.5344 0.5095 -0.0022 -0.0124 0.0146 402 CLA d C10 +59043 C C10 B CLA SH . ? 0.6366 0.5349 0.5101 -0.0023 -0.0124 0.0146 402 CLA d C10 +59044 C C11 A CLA SH . ? 0.6880 0.5903 0.5662 -0.0028 -0.0116 0.0155 402 CLA d C11 +59045 C C11 B CLA SH . ? 0.6847 0.5873 0.5633 -0.0029 -0.0116 0.0156 402 CLA d C11 +59046 C C12 A CLA SH . ? 0.6932 0.5967 0.5726 -0.0013 -0.0103 0.0156 402 CLA d C12 +59047 C C12 B CLA SH . ? 0.6930 0.5967 0.5726 -0.0013 -0.0103 0.0156 402 CLA d C12 +59048 C C13 A CLA SH . ? 0.7347 0.6426 0.6192 -0.0019 -0.0097 0.0164 402 CLA d C13 +59049 C C13 B CLA SH . ? 0.7332 0.6411 0.6178 -0.0018 -0.0097 0.0164 402 CLA d C13 +59050 C C14 A CLA SH . ? 0.7420 0.6504 0.6278 -0.0008 -0.0095 0.0162 402 CLA d C14 +59051 C C14 B CLA SH . ? 0.7428 0.6509 0.6283 -0.0007 -0.0095 0.0161 402 CLA d C14 +59052 C C15 A CLA SH . ? 0.7841 0.6950 0.6700 -0.0014 -0.0079 0.0172 402 CLA d C15 +59053 C C15 B CLA SH . ? 0.7817 0.6927 0.6678 -0.0014 -0.0079 0.0172 402 CLA d C15 +59054 C C16 A CLA SH . ? 0.8862 0.8014 0.7772 -0.0025 -0.0076 0.0180 402 CLA d C16 +59055 C C16 B CLA SH . ? 0.8868 0.8019 0.7778 -0.0027 -0.0077 0.0180 402 CLA d C16 +59056 C C17 A CLA SH . ? 0.9591 0.8763 0.8510 -0.0030 -0.0062 0.0189 402 CLA d C17 +59057 C C17 B CLA SH . ? 0.9609 0.8779 0.8526 -0.0031 -0.0063 0.0189 402 CLA d C17 +59058 C C18 A CLA SH . ? 0.9286 0.8478 0.8208 -0.0015 -0.0040 0.0191 402 CLA d C18 +59059 C C18 B CLA SH . ? 0.9290 0.8482 0.8212 -0.0016 -0.0041 0.0191 402 CLA d C18 +59060 C C19 A CLA SH . ? 0.9921 0.9132 0.8851 -0.0021 -0.0024 0.0199 402 CLA d C19 +59061 C C19 B CLA SH . ? 0.9931 0.9142 0.8862 -0.0022 -0.0025 0.0200 402 CLA d C19 +59062 C C20 A CLA SH . ? 0.8779 0.8005 0.7742 -0.0010 -0.0037 0.0190 402 CLA d C20 +59063 C C20 B CLA SH . ? 0.8781 0.8005 0.7743 -0.0011 -0.0038 0.0190 402 CLA d C20 +59064 MG MG A CLA TH . ? 0.6643 0.5168 0.5142 -0.0188 -0.0264 -0.0002 403 CLA d MG +59065 MG MG B CLA TH . ? 0.6647 0.5172 0.5146 -0.0189 -0.0264 -0.0003 403 CLA d MG +59066 C CHA A CLA TH . ? 0.6665 0.5200 0.5200 -0.0261 -0.0302 -0.0036 403 CLA d CHA +59067 C CHA B CLA TH . ? 0.6656 0.5191 0.5192 -0.0261 -0.0303 -0.0037 403 CLA d CHA +59068 C CHB A CLA TH . ? 0.6361 0.4939 0.4851 -0.0163 -0.0282 -0.0004 403 CLA d CHB +59069 C CHB B CLA TH . ? 0.6348 0.4926 0.4838 -0.0163 -0.0282 -0.0005 403 CLA d CHB +59070 C CHC A CLA TH . ? 0.5836 0.4338 0.4285 -0.0115 -0.0228 0.0020 403 CLA d CHC +59071 C CHC B CLA TH . ? 0.5811 0.4314 0.4262 -0.0116 -0.0229 0.0020 403 CLA d CHC +59072 C CHD A CLA TH . ? 0.6748 0.5171 0.5212 -0.0216 -0.0245 -0.0005 403 CLA d CHD +59073 C CHD B CLA TH . ? 0.6758 0.5181 0.5223 -0.0217 -0.0246 -0.0005 403 CLA d CHD +59074 N NA A CLA TH . ? 0.7281 0.5830 0.5789 -0.0206 -0.0289 -0.0018 403 CLA d NA +59075 N NA B CLA TH . ? 0.7308 0.5857 0.5816 -0.0207 -0.0290 -0.0018 403 CLA d NA +59076 C C1A A CLA TH . ? 0.6850 0.5409 0.5380 -0.0234 -0.0303 -0.0029 403 CLA d C1A +59077 C C1A B CLA TH . ? 0.6853 0.5412 0.5383 -0.0234 -0.0304 -0.0029 403 CLA d C1A +59078 C C2A A CLA TH . ? 0.7392 0.5982 0.5935 -0.0239 -0.0321 -0.0036 403 CLA d C2A +59079 C C2A B CLA TH . ? 0.7406 0.5997 0.5949 -0.0238 -0.0322 -0.0036 403 CLA d C2A +59080 C C3A A CLA TH . ? 0.7679 0.6281 0.6206 -0.0207 -0.0314 -0.0024 403 CLA d C3A +59081 C C3A B CLA TH . ? 0.7700 0.6302 0.6227 -0.0207 -0.0314 -0.0025 403 CLA d C3A +59082 C C4A A CLA TH . ? 0.7102 0.5676 0.5609 -0.0191 -0.0294 -0.0015 403 CLA d C4A +59083 C C4A B CLA TH . ? 0.7112 0.5686 0.5618 -0.0191 -0.0294 -0.0015 403 CLA d C4A +59084 C CMA A CLA TH . ? 0.6556 0.5218 0.5135 -0.0207 -0.0312 -0.0011 403 CLA d CMA +59085 C CMA B CLA TH . ? 0.6557 0.5219 0.5134 -0.0206 -0.0312 -0.0011 403 CLA d CMA +59086 C CAA A CLA TH . ? 0.6996 0.5543 0.5496 -0.0247 -0.0337 -0.0056 403 CLA d CAA +59087 C CAA B CLA TH . ? 0.6998 0.5546 0.5498 -0.0247 -0.0337 -0.0056 403 CLA d CAA +59088 C CBA A CLA TH . ? 0.8007 0.6579 0.6509 -0.0245 -0.0357 -0.0064 403 CLA d CBA +59089 C CBA B CLA TH . ? 0.8018 0.6592 0.6522 -0.0246 -0.0357 -0.0064 403 CLA d CBA +59090 C CGA A CLA TH . ? 0.7623 0.6153 0.6081 -0.0252 -0.0373 -0.0084 403 CLA d CGA +59091 C CGA B CLA TH . ? 0.7613 0.6144 0.6072 -0.0252 -0.0373 -0.0084 403 CLA d CGA +59092 O O1A A CLA TH . ? 0.8597 0.7118 0.7022 -0.0236 -0.0382 -0.0088 403 CLA d O1A +59093 O O1A B CLA TH . ? 0.8637 0.7157 0.7062 -0.0234 -0.0381 -0.0087 403 CLA d O1A +59094 O O2A A CLA TH . ? 0.8261 0.6757 0.6712 -0.0279 -0.0380 -0.0100 403 CLA d O2A +59095 O O2A B CLA TH . ? 0.8280 0.6779 0.6734 -0.0280 -0.0381 -0.0100 403 CLA d O2A +59096 N NB A CLA TH . ? 0.6216 0.4753 0.4690 -0.0147 -0.0255 0.0007 403 CLA d NB +59097 N NB B CLA TH . ? 0.6205 0.4743 0.4680 -0.0148 -0.0256 0.0007 403 CLA d NB +59098 C C1B A CLA TH . ? 0.6432 0.4992 0.4905 -0.0141 -0.0263 0.0005 403 CLA d C1B +59099 C C1B B CLA TH . ? 0.6431 0.4989 0.4903 -0.0142 -0.0263 0.0005 403 CLA d C1B +59100 C C2B A CLA TH . ? 0.6250 0.4812 0.4701 -0.0110 -0.0250 0.0014 403 CLA d C2B +59101 C C2B B CLA TH . ? 0.6246 0.4808 0.4698 -0.0110 -0.0250 0.0013 403 CLA d C2B +59102 C C3B A CLA TH . ? 0.6093 0.4634 0.4535 -0.0096 -0.0234 0.0020 403 CLA d C3B +59103 C C3B B CLA TH . ? 0.6065 0.4609 0.4510 -0.0097 -0.0235 0.0020 403 CLA d C3B +59104 C C4B A CLA TH . ? 0.6784 0.5310 0.5240 -0.0121 -0.0240 0.0015 403 CLA d C4B +59105 C C4B B CLA TH . ? 0.6804 0.5332 0.5262 -0.0122 -0.0240 0.0015 403 CLA d C4B +59106 C CMB A CLA TH . ? 0.7017 0.5595 0.5456 -0.0096 -0.0252 0.0015 403 CLA d CMB +59107 C CMB B CLA TH . ? 0.7030 0.5608 0.5469 -0.0096 -0.0252 0.0015 403 CLA d CMB +59108 C CAB A CLA TH . ? 0.6723 0.5262 0.5149 -0.0065 -0.0217 0.0028 403 CLA d CAB +59109 C CAB B CLA TH . ? 0.6728 0.5268 0.5156 -0.0066 -0.0217 0.0029 403 CLA d CAB +59110 C CBB A CLA TH . ? 0.7132 0.5712 0.5577 -0.0050 -0.0209 0.0039 403 CLA d CBB +59111 C CBB B CLA TH . ? 0.7144 0.5726 0.5592 -0.0051 -0.0208 0.0039 403 CLA d CBB +59112 N NC A CLA TH . ? 0.6550 0.5021 0.5012 -0.0169 -0.0244 0.0005 403 CLA d NC +59113 N NC B CLA TH . ? 0.6562 0.5034 0.5025 -0.0170 -0.0244 0.0005 403 CLA d NC +59114 C C1C A CLA TH . ? 0.6690 0.5165 0.5141 -0.0138 -0.0231 0.0016 403 CLA d C1C +59115 C C1C B CLA TH . ? 0.6705 0.5181 0.5158 -0.0139 -0.0231 0.0016 403 CLA d C1C +59116 C C2C A CLA TH . ? 0.6422 0.4873 0.4864 -0.0127 -0.0219 0.0023 403 CLA d C2C +59117 C C2C B CLA TH . ? 0.6421 0.4873 0.4864 -0.0129 -0.0219 0.0023 403 CLA d C2C +59118 C C3C A CLA TH . ? 0.6634 0.5059 0.5078 -0.0157 -0.0224 0.0017 403 CLA d C3C +59119 C C3C B CLA TH . ? 0.6646 0.5072 0.5091 -0.0159 -0.0224 0.0016 403 CLA d C3C +59120 C C4C A CLA TH . ? 0.6375 0.4815 0.4832 -0.0181 -0.0238 0.0005 403 CLA d C4C +59121 C C4C B CLA TH . ? 0.6360 0.4801 0.4818 -0.0183 -0.0239 0.0005 403 CLA d C4C +59122 C CMC A CLA TH . ? 0.7003 0.5458 0.5437 -0.0094 -0.0205 0.0034 403 CLA d CMC +59123 C CMC B CLA TH . ? 0.7020 0.5477 0.5456 -0.0096 -0.0205 0.0034 403 CLA d CMC +59124 C CAC A CLA TH . ? 0.6731 0.5119 0.5162 -0.0163 -0.0216 0.0020 403 CLA d CAC +59125 C CAC B CLA TH . ? 0.6720 0.5108 0.5152 -0.0165 -0.0216 0.0020 403 CLA d CAC +59126 C CBC A CLA TH . ? 0.6843 0.5276 0.5326 -0.0181 -0.0214 0.0029 403 CLA d CBC +59127 C CBC B CLA TH . ? 0.6848 0.5282 0.5332 -0.0183 -0.0215 0.0028 403 CLA d CBC +59128 N ND A CLA TH . ? 0.6967 0.5452 0.5465 -0.0228 -0.0270 -0.0016 403 CLA d ND +59129 N ND B CLA TH . ? 0.6986 0.5472 0.5485 -0.0229 -0.0270 -0.0016 403 CLA d ND +59130 C C1D A CLA TH . ? 0.6650 0.5095 0.5134 -0.0239 -0.0261 -0.0017 403 CLA d C1D +59131 C C1D B CLA TH . ? 0.6657 0.5104 0.5144 -0.0241 -0.0262 -0.0017 403 CLA d C1D +59132 C C2D A CLA TH . ? 0.6888 0.5323 0.5385 -0.0276 -0.0269 -0.0029 403 CLA d C2D +59133 C C2D B CLA TH . ? 0.6889 0.5324 0.5387 -0.0277 -0.0270 -0.0029 403 CLA d C2D +59134 C C3D A CLA TH . ? 0.6482 0.4955 0.5002 -0.0285 -0.0286 -0.0038 403 CLA d C3D +59135 C C3D B CLA TH . ? 0.6462 0.4937 0.4983 -0.0286 -0.0287 -0.0038 403 CLA d C3D +59136 C C4D A CLA TH . ? 0.7151 0.5648 0.5667 -0.0256 -0.0285 -0.0029 403 CLA d C4D +59137 C C4D B CLA TH . ? 0.7167 0.5665 0.5684 -0.0257 -0.0286 -0.0030 403 CLA d C4D +59138 C CMD A CLA TH . ? 0.7098 0.5491 0.5584 -0.0300 -0.0263 -0.0033 403 CLA d CMD +59139 C CMD B CLA TH . ? 0.7116 0.5512 0.5606 -0.0302 -0.0264 -0.0034 403 CLA d CMD +59140 C CAD A CLA TH . ? 0.7506 0.6004 0.6051 -0.0311 -0.0304 -0.0053 403 CLA d CAD +59141 C CAD B CLA TH . ? 0.7527 0.6026 0.6073 -0.0312 -0.0305 -0.0053 403 CLA d CAD +59142 O OBD A CLA TH . ? 0.7116 0.5605 0.5674 -0.0342 -0.0309 -0.0064 403 CLA d OBD +59143 O OBD B CLA TH . ? 0.7132 0.5622 0.5691 -0.0343 -0.0310 -0.0065 403 CLA d OBD +59144 C CBD A CLA TH . ? 0.7078 0.5615 0.5633 -0.0295 -0.0316 -0.0052 403 CLA d CBD +59145 C CBD B CLA TH . ? 0.7081 0.5618 0.5636 -0.0295 -0.0317 -0.0052 403 CLA d CBD +59146 C CGD A CLA TH . ? 0.7266 0.5867 0.5882 -0.0308 -0.0321 -0.0047 403 CLA d CGD +59147 C CGD B CLA TH . ? 0.7277 0.5878 0.5893 -0.0308 -0.0321 -0.0048 403 CLA d CGD +59148 O O1D A CLA TH . ? 0.7151 0.5785 0.5796 -0.0299 -0.0310 -0.0032 403 CLA d O1D +59149 O O1D B CLA TH . ? 0.7183 0.5817 0.5827 -0.0297 -0.0311 -0.0032 403 CLA d O1D +59150 O O2D A CLA TH . ? 0.7190 0.5814 0.5832 -0.0333 -0.0340 -0.0063 403 CLA d O2D +59151 O O2D B CLA TH . ? 0.7209 0.5833 0.5852 -0.0333 -0.0340 -0.0063 403 CLA d O2D +59152 C CED A CLA TH . ? 0.6373 0.5055 0.5074 -0.0346 -0.0343 -0.0059 403 CLA d CED +59153 C CED B CLA TH . ? 0.6364 0.5048 0.5066 -0.0345 -0.0343 -0.0059 403 CLA d CED +59154 C C1 A CLA TH . ? 0.7723 0.6175 0.6126 -0.0283 -0.0395 -0.0119 403 CLA d C1 +59155 C C1 B CLA TH . ? 0.7725 0.6179 0.6131 -0.0284 -0.0395 -0.0119 403 CLA d C1 +59156 C C2 A CLA TH . ? 0.7828 0.6283 0.6255 -0.0319 -0.0413 -0.0138 403 CLA d C2 +59157 C C2 B CLA TH . ? 0.7824 0.6284 0.6256 -0.0321 -0.0413 -0.0138 403 CLA d C2 +59158 C C3 A CLA TH . ? 0.7281 0.5781 0.5741 -0.0330 -0.0434 -0.0147 403 CLA d C3 +59159 C C3 B CLA TH . ? 0.7262 0.5767 0.5726 -0.0331 -0.0435 -0.0147 403 CLA d C3 +59160 C C4 A CLA TH . ? 0.7676 0.6217 0.6145 -0.0306 -0.0439 -0.0137 403 CLA d C4 +59161 C C4 B CLA TH . ? 0.7683 0.6226 0.6153 -0.0305 -0.0440 -0.0137 403 CLA d C4 +59162 C C5 A CLA TH . ? 0.8911 0.7422 0.7401 -0.0367 -0.0451 -0.0168 403 CLA d C5 +59163 C C5 B CLA TH . ? 0.8934 0.7450 0.7428 -0.0368 -0.0452 -0.0168 403 CLA d C5 +59164 C C6 A CLA TH . ? 0.9060 0.7578 0.7539 -0.0372 -0.0481 -0.0188 403 CLA d C6 +59165 C C6 B CLA TH . ? 0.9078 0.7596 0.7558 -0.0373 -0.0482 -0.0189 403 CLA d C6 +59166 C C7 A CLA TH . ? 0.8006 0.6460 0.6411 -0.0357 -0.0486 -0.0197 403 CLA d C7 +59167 C C7 B CLA TH . ? 0.7924 0.6384 0.6331 -0.0354 -0.0487 -0.0196 403 CLA d C7 +59168 C C8 A CLA TH . ? 0.9126 0.7572 0.7515 -0.0370 -0.0516 -0.0222 403 CLA d C8 +59169 C C8 B CLA TH . ? 0.9141 0.7587 0.7529 -0.0370 -0.0516 -0.0222 403 CLA d C8 +59170 C C9 A CLA TH . ? 0.7946 0.6438 0.6346 -0.0353 -0.0536 -0.0221 403 CLA d C9 +59171 C C9 B CLA TH . ? 0.7883 0.6376 0.6286 -0.0357 -0.0540 -0.0225 403 CLA d C9 +59172 C C10 A CLA TH . ? 0.8846 0.7217 0.7159 -0.0360 -0.0515 -0.0231 403 CLA d C10 +59173 C C10 B CLA TH . ? 0.8854 0.7226 0.7167 -0.0359 -0.0515 -0.0231 403 CLA d C10 +59174 C C11 A CLA TH . ? 0.8714 0.7063 0.6993 -0.0368 -0.0544 -0.0256 403 CLA d C11 +59175 C C11 B CLA TH . ? 0.8716 0.7066 0.6998 -0.0370 -0.0544 -0.0257 403 CLA d C11 +59176 C C12 A CLA TH . ? 0.8870 0.7138 0.7075 -0.0360 -0.0537 -0.0264 403 CLA d C12 +59177 C C12 B CLA TH . ? 0.8863 0.7133 0.7067 -0.0358 -0.0538 -0.0264 403 CLA d C12 +59178 C C13 A CLA TH . ? 1.0371 0.8608 0.8542 -0.0376 -0.0566 -0.0293 403 CLA d C13 +59179 C C13 B CLA TH . ? 1.0381 0.8618 0.8551 -0.0375 -0.0566 -0.0292 403 CLA d C13 +59180 C C14 A CLA TH . ? 1.0860 0.9098 0.8991 -0.0348 -0.0584 -0.0296 403 CLA d C14 +59181 C C14 B CLA TH . ? 1.0897 0.9127 0.9020 -0.0347 -0.0583 -0.0297 403 CLA d C14 +59182 C C15 A CLA TH . ? 1.0922 0.9079 0.9038 -0.0384 -0.0555 -0.0302 403 CLA d C15 +59183 C C15 B CLA TH . ? 1.0928 0.9087 0.9047 -0.0385 -0.0555 -0.0302 403 CLA d C15 +59184 C C16 A CLA TH . ? 1.0583 0.8683 0.8628 -0.0347 -0.0537 -0.0292 403 CLA d C16 +59185 C C16 B CLA TH . ? 1.0562 0.8664 0.8610 -0.0349 -0.0537 -0.0292 403 CLA d C16 +59186 C C17 A CLA TH . ? 1.1637 0.9670 0.9649 -0.0360 -0.0520 -0.0295 403 CLA d C17 +59187 C C17 B CLA TH . ? 1.1646 0.9680 0.9661 -0.0361 -0.0520 -0.0295 403 CLA d C17 +59188 C C18 A CLA TH . ? 1.3486 1.1449 1.1419 -0.0328 -0.0507 -0.0293 403 CLA d C18 +59189 C C18 B CLA TH . ? 1.3502 1.1465 1.1437 -0.0330 -0.0507 -0.0293 403 CLA d C18 +59190 C C19 A CLA TH . ? 1.1828 0.9791 0.9763 -0.0301 -0.0475 -0.0266 403 CLA d C19 +59191 C C19 B CLA TH . ? 1.1834 0.9795 0.9769 -0.0302 -0.0475 -0.0267 403 CLA d C19 +59192 C C20 A CLA TH . ? 1.1209 0.9095 0.9094 -0.0349 -0.0511 -0.0313 403 CLA d C20 +59193 C C20 B CLA TH . ? 1.1192 0.9079 0.9079 -0.0351 -0.0513 -0.0315 403 CLA d C20 +59194 MG MG . CLA UH . ? 0.8927 0.7478 0.7727 -0.0953 -0.0687 -0.0563 404 CLA d MG +59195 C CHA . CLA UH . ? 0.8045 0.6543 0.6881 -0.1019 -0.0593 -0.0532 404 CLA d CHA +59196 C CHB . CLA UH . ? 0.7762 0.6512 0.6714 -0.0906 -0.0678 -0.0524 404 CLA d CHB +59197 C CHC . CLA UH . ? 0.8884 0.7503 0.7668 -0.0909 -0.0787 -0.0606 404 CLA d CHC +59198 C CHD . CLA UH . ? 0.7607 0.5947 0.6261 -0.1022 -0.0695 -0.0614 404 CLA d CHD +59199 N NA . CLA UH . ? 0.9404 0.8023 0.8289 -0.0963 -0.0645 -0.0535 404 CLA d NA +59200 C C1A . CLA UH . ? 0.8572 0.7161 0.7460 -0.0986 -0.0610 -0.0523 404 CLA d C1A +59201 C C2A . CLA UH . ? 0.8780 0.7427 0.7726 -0.0980 -0.0585 -0.0501 404 CLA d C2A +59202 C C3A . CLA UH . ? 0.9710 0.8432 0.8688 -0.0942 -0.0612 -0.0497 404 CLA d C3A +59203 C C4A . CLA UH . ? 0.8551 0.7247 0.7487 -0.0936 -0.0647 -0.0520 404 CLA d C4A +59204 C CMA . CLA UH . ? 0.7413 0.6104 0.6343 -0.0893 -0.0595 -0.0464 404 CLA d CMA +59205 C CAA . CLA UH . ? 0.8072 0.6778 0.7100 -0.1030 -0.0579 -0.0519 404 CLA d CAA +59206 C CBA . CLA UH . ? 0.7524 0.6302 0.6608 -0.1046 -0.0619 -0.0551 404 CLA d CBA +59207 C CGA . CLA UH . ? 0.8803 0.7649 0.7975 -0.1094 -0.0613 -0.0569 404 CLA d CGA +59208 O O1A . CLA UH . ? 0.8282 0.7127 0.7477 -0.1116 -0.0579 -0.0558 404 CLA d O1A +59209 O O2A . CLA UH . ? 0.8409 0.7322 0.7637 -0.1116 -0.0649 -0.0603 404 CLA d O2A +59210 N NB . CLA UH . ? 0.9545 0.8214 0.8407 -0.0913 -0.0726 -0.0564 404 CLA d NB +59211 C C1B . CLA UH . ? 0.9285 0.8024 0.8202 -0.0894 -0.0717 -0.0545 404 CLA d C1B +59212 C C2B . CLA UH . ? 0.8286 0.7092 0.7228 -0.0862 -0.0750 -0.0549 404 CLA d C2B +59213 C C3B . CLA UH . ? 0.8645 0.7412 0.7536 -0.0862 -0.0783 -0.0573 404 CLA d C3B +59214 C C4B . CLA UH . ? 0.9613 0.8297 0.8458 -0.0896 -0.0765 -0.0582 404 CLA d C4B +59215 C CMB . CLA UH . ? 0.8540 0.7427 0.7538 -0.0834 -0.0751 -0.0532 404 CLA d CMB +59216 C CAB . CLA UH . ? 0.9599 0.8401 0.8483 -0.0834 -0.0825 -0.0586 404 CLA d CAB +59217 C CBB . CLA UH . ? 1.3160 1.1950 1.2026 -0.0849 -0.0859 -0.0616 404 CLA d CBB +59218 N NC . CLA UH . ? 1.0484 0.8980 0.9222 -0.0965 -0.0731 -0.0603 404 CLA d NC +59219 C C1C . CLA UH . ? 0.9098 0.7632 0.7836 -0.0943 -0.0770 -0.0617 404 CLA d C1C +59220 C C2C . CLA UH . ? 0.9949 0.8426 0.8631 -0.0956 -0.0797 -0.0645 404 CLA d C2C +59221 C C3C . CLA UH . ? 1.0430 0.8824 0.9075 -0.0990 -0.0769 -0.0647 404 CLA d C3C +59222 C C4C . CLA UH . ? 0.8146 0.6561 0.6829 -0.0992 -0.0730 -0.0619 404 CLA d C4C +59223 C CMC . CLA UH . ? 0.9646 0.8142 0.8311 -0.0938 -0.0843 -0.0667 404 CLA d CMC +59224 C CAC . CLA UH . ? 0.9723 0.8030 0.8304 -0.1017 -0.0777 -0.0671 404 CLA d CAC +59225 C CBC . CLA UH . ? 1.0366 0.8721 0.9013 -0.1072 -0.0797 -0.0705 404 CLA d CBC +59226 N ND . CLA UH . ? 0.8582 0.7031 0.7341 -0.1009 -0.0655 -0.0573 404 CLA d ND +59227 C C1D . CLA UH . ? 0.9015 0.7374 0.7709 -0.1032 -0.0658 -0.0591 404 CLA d C1D +59228 C C2D . CLA UH . ? 0.8937 0.7229 0.7609 -0.1064 -0.0622 -0.0584 404 CLA d C2D +59229 C C3D . CLA UH . ? 0.9734 0.8085 0.8465 -0.1058 -0.0596 -0.0559 404 CLA d C3D +59230 C C4D . CLA UH . ? 0.8980 0.7419 0.7759 -0.1027 -0.0617 -0.0556 404 CLA d C4D +59231 C CMD . CLA UH . ? 0.9180 0.7368 0.7788 -0.1096 -0.0609 -0.0596 404 CLA d CMD +59232 C CAD . CLA UH . ? 0.8268 0.6620 0.7026 -0.1072 -0.0556 -0.0538 404 CLA d CAD +59233 O OBD . CLA UH . ? 0.8539 0.6818 0.7262 -0.1100 -0.0528 -0.0535 404 CLA d OBD +59234 C CBD . CLA UH . ? 0.8964 0.7409 0.7788 -0.1047 -0.0554 -0.0520 404 CLA d CBD +59235 C CGD . CLA UH . ? 0.7571 0.5973 0.6345 -0.1004 -0.0529 -0.0486 404 CLA d CGD +59236 O O1D . CLA UH . ? 0.8916 0.7312 0.7654 -0.0959 -0.0541 -0.0474 404 CLA d O1D +59237 O O2D . CLA UH . ? 0.8221 0.6583 0.6984 -0.1016 -0.0490 -0.0466 404 CLA d O2D +59238 C CED . CLA UH . ? 0.9985 0.8301 0.8693 -0.0972 -0.0471 -0.0436 404 CLA d CED +59239 C C1 . CLA UH . ? 0.9799 0.8806 0.9126 -0.1146 -0.0649 -0.0617 404 CLA d C1 +59240 C C2 . CLA UH . ? 0.9707 0.8773 0.9075 -0.1158 -0.0694 -0.0653 404 CLA d C2 +59241 C C3 . CLA UH . ? 1.0144 0.9300 0.9567 -0.1132 -0.0723 -0.0658 404 CLA d C3 +59242 C C4 . CLA UH . ? 0.9000 0.8202 0.8446 -0.1090 -0.0712 -0.0629 404 CLA d C4 +59243 C C5 . CLA UH . ? 1.0814 1.0021 1.0273 -0.1147 -0.0769 -0.0696 404 CLA d C5 +59244 C C6 . CLA UH . ? 1.1058 1.0378 1.0597 -0.1127 -0.0796 -0.0704 404 CLA d C6 +59245 C C7 . CLA UH . ? 1.3272 1.2675 1.2910 -0.1177 -0.0802 -0.0736 404 CLA d C7 +59246 C C8 . CLA UH . ? 1.3701 1.3211 1.3409 -0.1153 -0.0841 -0.0751 404 CLA d C8 +59247 C C9 . CLA UH . ? 1.3640 1.3136 1.3305 -0.1134 -0.0891 -0.0771 404 CLA d C9 +59248 C C10 . CLA UH . ? 1.5028 1.4633 1.4845 -0.1198 -0.0840 -0.0777 404 CLA d C10 +59249 C C11 . CLA UH . ? 1.5433 1.5150 1.5328 -0.1168 -0.0865 -0.0782 404 CLA d C11 +59250 C C12 . CLA UH . ? 1.4383 1.4201 1.4390 -0.1211 -0.0869 -0.0813 404 CLA d C12 +59251 C C13 . CLA UH . ? 1.3002 1.2931 1.3084 -0.1179 -0.0899 -0.0821 404 CLA d C13 +59252 C C14 . CLA UH . ? 1.4655 1.4572 1.4683 -0.1124 -0.0944 -0.0818 404 CLA d C14 +59253 C C15 . CLA UH . ? 1.6963 1.6989 1.7149 -0.1222 -0.0919 -0.0862 404 CLA d C15 +59254 C C16 . CLA UH . ? 1.8849 1.8892 1.9093 -0.1279 -0.0873 -0.0866 404 CLA d C16 +59255 C C17 . CLA UH . ? 1.9736 1.9852 2.0066 -0.1333 -0.0890 -0.0910 404 CLA d C17 +59256 C C18 . CLA UH . ? 1.9564 1.9732 1.9977 -0.1378 -0.0846 -0.0913 404 CLA d C18 +59257 C C19 . CLA UH . ? 1.3734 1.4040 1.4262 -0.1370 -0.0864 -0.0932 404 CLA d C19 +59258 C C20 . CLA UH . ? 1.6280 1.6414 1.6700 -0.1450 -0.0828 -0.0936 404 CLA d C20 +59259 C C1 . BCR VH . ? 1.1125 0.9052 0.9396 -0.0957 -0.0671 -0.0605 405 BCR d C1 +59260 C C2 . BCR VH . ? 1.1285 0.9248 0.9626 -0.0999 -0.0647 -0.0600 405 BCR d C2 +59261 C C3 . BCR VH . ? 1.2241 1.0115 1.0530 -0.1004 -0.0608 -0.0582 405 BCR d C3 +59262 C C4 . BCR VH . ? 0.9456 0.7318 0.7712 -0.0948 -0.0588 -0.0547 405 BCR d C4 +59263 C C5 . BCR VH . ? 1.2145 0.9998 1.0351 -0.0901 -0.0611 -0.0548 405 BCR d C5 +59264 C C6 . BCR VH . ? 1.1089 0.8969 0.9299 -0.0904 -0.0648 -0.0573 405 BCR d C6 +59265 C C7 . BCR VH . ? 1.0224 0.8090 0.8379 -0.0855 -0.0667 -0.0571 405 BCR d C7 +59266 C C8 . BCR VH . ? 0.8573 0.6351 0.6637 -0.0830 -0.0664 -0.0570 405 BCR d C8 +59267 C C9 . BCR VH . ? 1.0345 0.8127 0.8366 -0.0781 -0.0681 -0.0566 405 BCR d C9 +59268 C C10 . BCR VH . ? 0.8432 0.6136 0.6370 -0.0744 -0.0667 -0.0554 405 BCR d C10 +59269 C C11 . BCR VH . ? 0.8246 0.5944 0.6134 -0.0694 -0.0678 -0.0547 405 BCR d C11 +59270 C C33 . BCR VH . ? 0.9845 0.7657 0.7995 -0.0848 -0.0589 -0.0517 405 BCR d C33 +59271 C C31 . BCR VH . ? 1.3113 1.0958 1.1322 -0.0983 -0.0687 -0.0634 405 BCR d C31 +59272 C C32 . BCR VH . ? 1.0043 0.8067 0.8369 -0.0942 -0.0704 -0.0613 405 BCR d C32 +59273 C C34 . BCR VH . ? 0.8717 0.6586 0.6786 -0.0770 -0.0714 -0.0574 405 BCR d C34 +59274 C C12 . BCR VH . ? 0.8767 0.6385 0.6578 -0.0663 -0.0657 -0.0535 405 BCR d C12 +59275 C C13 . BCR VH . ? 0.8459 0.6056 0.6210 -0.0610 -0.0657 -0.0524 405 BCR d C13 +59276 C C14 . BCR VH . ? 0.8857 0.6377 0.6538 -0.0582 -0.0634 -0.0512 405 BCR d C14 +59277 C C15 . BCR VH . ? 0.8288 0.5794 0.5916 -0.0529 -0.0630 -0.0500 405 BCR d C15 +59278 C C16 . BCR VH . ? 0.8151 0.5596 0.5722 -0.0497 -0.0603 -0.0483 405 BCR d C16 +59279 C C17 . BCR VH . ? 0.9138 0.6578 0.6664 -0.0444 -0.0596 -0.0470 405 BCR d C17 +59280 C C18 . BCR VH . ? 0.8828 0.6215 0.6303 -0.0410 -0.0569 -0.0453 405 BCR d C18 +59281 C C19 . BCR VH . ? 0.9244 0.6634 0.6681 -0.0358 -0.0560 -0.0439 405 BCR d C19 +59282 C C20 . BCR VH . ? 0.9134 0.6474 0.6517 -0.0321 -0.0535 -0.0426 405 BCR d C20 +59283 C C21 . BCR VH . ? 0.9537 0.6902 0.6899 -0.0275 -0.0530 -0.0413 405 BCR d C21 +59284 C C22 . BCR VH . ? 1.0605 0.7937 0.7921 -0.0232 -0.0505 -0.0399 405 BCR d C22 +59285 C C23 . BCR VH . ? 1.0846 0.8212 0.8152 -0.0195 -0.0501 -0.0387 405 BCR d C23 +59286 C C24 . BCR VH . ? 1.2382 0.9746 0.9672 -0.0154 -0.0472 -0.0366 405 BCR d C24 +59287 C C25 . BCR VH . ? 1.2687 1.0094 0.9973 -0.0117 -0.0465 -0.0353 405 BCR d C25 +59288 C C26 . BCR VH . ? 1.5749 1.3240 1.3104 -0.0117 -0.0463 -0.0334 405 BCR d C26 +59289 C C27 . BCR VH . ? 1.6132 1.3665 1.3484 -0.0082 -0.0454 -0.0319 405 BCR d C27 +59290 C C28 . BCR VH . ? 1.5654 1.3140 1.2928 -0.0065 -0.0467 -0.0337 405 BCR d C28 +59291 C C29 . BCR VH . ? 1.2990 1.0391 1.0193 -0.0046 -0.0451 -0.0344 405 BCR d C29 +59292 C C30 . BCR VH . ? 1.4146 1.1500 1.1349 -0.0080 -0.0460 -0.0359 405 BCR d C30 +59293 C C35 . BCR VH . ? 0.9267 0.6931 0.7038 -0.0587 -0.0683 -0.0525 405 BCR d C35 +59294 C C36 . BCR VH . ? 0.8684 0.6010 0.6144 -0.0425 -0.0546 -0.0449 405 BCR d C36 +59295 C C37 . BCR VH . ? 0.9719 0.6978 0.6995 -0.0225 -0.0482 -0.0395 405 BCR d C37 +59296 C C38 . BCR VH . ? 1.4244 1.1787 1.1680 -0.0153 -0.0467 -0.0328 405 BCR d C38 +59297 C C39 . BCR VH . ? 1.3909 1.1214 1.1062 -0.0101 -0.0491 -0.0389 405 BCR d C39 +59298 C C40 . BCR VH . ? 1.4108 1.1408 1.1277 -0.0057 -0.0431 -0.0352 405 BCR d C40 +59299 C C2 A PL9 WH . ? 0.7420 0.6049 0.5529 0.0065 -0.0201 0.0125 406 PL9 d C2 +59300 C C2 B PL9 WH . ? 0.7373 0.6003 0.5484 0.0065 -0.0200 0.0126 406 PL9 d C2 +59301 C C3 A PL9 WH . ? 0.7713 0.6372 0.5860 0.0061 -0.0177 0.0142 406 PL9 d C3 +59302 C C3 B PL9 WH . ? 0.7745 0.6407 0.5896 0.0059 -0.0179 0.0143 406 PL9 d C3 +59303 C C4 A PL9 WH . ? 0.8599 0.7255 0.6731 0.0062 -0.0175 0.0156 406 PL9 d C4 +59304 C C4 B PL9 WH . ? 0.8692 0.7348 0.6823 0.0062 -0.0177 0.0157 406 PL9 d C4 +59305 C C5 A PL9 WH . ? 0.8174 0.6788 0.6237 0.0075 -0.0192 0.0153 406 PL9 d C5 +59306 C C5 B PL9 WH . ? 0.8209 0.6824 0.6274 0.0074 -0.0196 0.0152 406 PL9 d C5 +59307 C C6 A PL9 WH . ? 0.7752 0.6337 0.5777 0.0080 -0.0217 0.0134 406 PL9 d C6 +59308 C C6 B PL9 WH . ? 0.7745 0.6330 0.5771 0.0080 -0.0219 0.0133 406 PL9 d C6 +59309 C C1 A PL9 WH . ? 0.8322 0.6915 0.6373 0.0074 -0.0221 0.0120 406 PL9 d C1 +59310 C C1 B PL9 WH . ? 0.8334 0.6929 0.6387 0.0074 -0.0220 0.0120 406 PL9 d C1 +59311 C C7 A PL9 WH . ? 0.7831 0.6530 0.6042 0.0051 -0.0159 0.0146 406 PL9 d C7 +59312 C C7 B PL9 WH . ? 0.7928 0.6630 0.6143 0.0050 -0.0160 0.0148 406 PL9 d C7 +59313 C C8 A PL9 WH . ? 0.7403 0.6128 0.5669 0.0035 -0.0181 0.0138 406 PL9 d C8 +59314 C C8 B PL9 WH . ? 0.7395 0.6121 0.5663 0.0034 -0.0182 0.0139 406 PL9 d C8 +59315 C C9 A PL9 WH . ? 0.7627 0.6392 0.5954 0.0022 -0.0175 0.0147 406 PL9 d C9 +59316 C C9 B PL9 WH . ? 0.7635 0.6401 0.5964 0.0021 -0.0177 0.0147 406 PL9 d C9 +59317 C C10 A PL9 WH . ? 0.7304 0.6090 0.5649 0.0022 -0.0149 0.0165 406 PL9 d C10 +59318 C C10 B PL9 WH . ? 0.7297 0.6082 0.5642 0.0021 -0.0151 0.0165 406 PL9 d C10 +59319 C C11 A PL9 WH . ? 0.8469 0.7256 0.6846 0.0006 -0.0197 0.0138 406 PL9 d C11 +59320 C C11 B PL9 WH . ? 0.8491 0.7279 0.6870 0.0006 -0.0197 0.0138 406 PL9 d C11 +59321 C C12 A PL9 WH . ? 0.7899 0.6713 0.6322 0.0001 -0.0179 0.0141 406 PL9 d C12 +59322 C C12 B PL9 WH . ? 0.7901 0.6713 0.6321 0.0002 -0.0179 0.0140 406 PL9 d C12 +59323 C C13 A PL9 WH . ? 0.7341 0.6163 0.5796 -0.0012 -0.0199 0.0129 406 PL9 d C13 +59324 C C13 B PL9 WH . ? 0.7340 0.6161 0.5794 -0.0012 -0.0199 0.0129 406 PL9 d C13 +59325 C C14 A PL9 WH . ? 0.7571 0.6411 0.6063 -0.0017 -0.0190 0.0128 406 PL9 d C14 +59326 C C14 B PL9 WH . ? 0.7585 0.6426 0.6078 -0.0017 -0.0190 0.0128 406 PL9 d C14 +59327 C C15 A PL9 WH . ? 0.6515 0.5369 0.5017 -0.0007 -0.0161 0.0137 406 PL9 d C15 +59328 C C15 B PL9 WH . ? 0.6509 0.5363 0.5012 -0.0007 -0.0161 0.0138 406 PL9 d C15 +59329 C C16 A PL9 WH . ? 0.7076 0.5916 0.5591 -0.0030 -0.0210 0.0116 406 PL9 d C16 +59330 C C16 B PL9 WH . ? 0.7070 0.5913 0.5588 -0.0031 -0.0209 0.0117 406 PL9 d C16 +59331 C C17 A PL9 WH . ? 0.6855 0.5701 0.5381 -0.0043 -0.0236 0.0111 406 PL9 d C17 +59332 C C17 B PL9 WH . ? 0.6863 0.5709 0.5390 -0.0044 -0.0236 0.0110 406 PL9 d C17 +59333 C C18 A PL9 WH . ? 0.7373 0.6223 0.5928 -0.0059 -0.0251 0.0099 406 PL9 d C18 +59334 C C18 B PL9 WH . ? 0.7389 0.6240 0.5946 -0.0059 -0.0250 0.0099 406 PL9 d C18 +59335 C C19 A PL9 WH . ? 0.6493 0.5375 0.5101 -0.0073 -0.0254 0.0103 406 PL9 d C19 +59336 C C19 B PL9 WH . ? 0.6481 0.5363 0.5090 -0.0074 -0.0253 0.0103 406 PL9 d C19 +59337 C C20 A PL9 WH . ? 0.6509 0.5424 0.5149 -0.0074 -0.0243 0.0118 406 PL9 d C20 +59338 C C20 B PL9 WH . ? 0.6496 0.5411 0.5137 -0.0074 -0.0243 0.0118 406 PL9 d C20 +59339 C C21 A PL9 WH . ? 0.6842 0.5725 0.5475 -0.0089 -0.0263 0.0093 406 PL9 d C21 +59340 C C21 B PL9 WH . ? 0.6847 0.5731 0.5482 -0.0089 -0.0264 0.0092 406 PL9 d C21 +59341 C C22 A PL9 WH . ? 0.6422 0.5332 0.5096 -0.0106 -0.0281 0.0090 406 PL9 d C22 +59342 C C22 B PL9 WH . ? 0.6412 0.5324 0.5088 -0.0106 -0.0281 0.0090 406 PL9 d C22 +59343 C C23 A PL9 WH . ? 0.6872 0.5776 0.5563 -0.0122 -0.0289 0.0078 406 PL9 d C23 +59344 C C23 B PL9 WH . ? 0.6904 0.5810 0.5596 -0.0123 -0.0290 0.0078 406 PL9 d C23 +59345 C C24 A PL9 WH . ? 0.6542 0.5461 0.5260 -0.0139 -0.0308 0.0069 406 PL9 d C24 +59346 C C24 B PL9 WH . ? 0.6541 0.5464 0.5262 -0.0139 -0.0309 0.0070 406 PL9 d C24 +59347 C C25 A PL9 WH . ? 0.6855 0.5799 0.5589 -0.0140 -0.0321 0.0071 406 PL9 d C25 +59348 C C25 B PL9 WH . ? 0.6854 0.5801 0.5590 -0.0139 -0.0321 0.0072 406 PL9 d C25 +59349 C C26 A PL9 WH . ? 0.6362 0.5276 0.5096 -0.0157 -0.0314 0.0058 406 PL9 d C26 +59350 C C26 B PL9 WH . ? 0.6339 0.5256 0.5077 -0.0158 -0.0316 0.0058 406 PL9 d C26 +59351 C C27 A PL9 WH . ? 0.5971 0.4919 0.4758 -0.0171 -0.0310 0.0063 406 PL9 d C27 +59352 C C27 B PL9 WH . ? 0.5944 0.4895 0.4735 -0.0171 -0.0311 0.0063 406 PL9 d C27 +59353 C C28 A PL9 WH . ? 0.6108 0.5064 0.4906 -0.0162 -0.0288 0.0078 406 PL9 d C28 +59354 C C28 B PL9 WH . ? 0.6097 0.5054 0.4896 -0.0162 -0.0289 0.0078 406 PL9 d C28 +59355 C C29 A PL9 WH . ? 0.7149 0.6137 0.5982 -0.0162 -0.0281 0.0089 406 PL9 d C29 +59356 C C29 B PL9 WH . ? 0.7163 0.6152 0.5997 -0.0162 -0.0281 0.0090 406 PL9 d C29 +59357 C C30 A PL9 WH . ? 0.7123 0.6140 0.5986 -0.0171 -0.0295 0.0089 406 PL9 d C30 +59358 C C30 B PL9 WH . ? 0.7111 0.6130 0.5975 -0.0170 -0.0294 0.0090 406 PL9 d C30 +59359 C C31 A PL9 WH . ? 0.7649 0.6646 0.6492 -0.0153 -0.0260 0.0103 406 PL9 d C31 +59360 C C31 B PL9 WH . ? 0.7670 0.6666 0.6510 -0.0152 -0.0260 0.0103 406 PL9 d C31 +59361 C C32 A PL9 WH . ? 0.7658 0.6626 0.6470 -0.0143 -0.0249 0.0101 406 PL9 d C32 +59362 C C32 B PL9 WH . ? 0.7673 0.6641 0.6486 -0.0143 -0.0249 0.0101 406 PL9 d C32 +59363 C C33 A PL9 WH . ? 0.7510 0.6496 0.6344 -0.0136 -0.0231 0.0114 406 PL9 d C33 +59364 C C33 B PL9 WH . ? 0.7513 0.6499 0.6346 -0.0135 -0.0231 0.0114 406 PL9 d C33 +59365 C C34 A PL9 WH . ? 0.7699 0.6673 0.6528 -0.0130 -0.0220 0.0115 406 PL9 d C34 +59366 C C34 B PL9 WH . ? 0.7713 0.6687 0.6542 -0.0130 -0.0220 0.0114 406 PL9 d C34 +59367 C C35 A PL9 WH . ? 0.6693 0.5632 0.5499 -0.0135 -0.0225 0.0104 406 PL9 d C35 +59368 C C35 B PL9 WH . ? 0.6685 0.5622 0.5489 -0.0135 -0.0225 0.0103 406 PL9 d C35 +59369 C C36 A PL9 WH . ? 0.8400 0.7400 0.7257 -0.0125 -0.0206 0.0126 406 PL9 d C36 +59370 C C36 B PL9 WH . ? 0.8425 0.7424 0.7281 -0.0124 -0.0206 0.0126 406 PL9 d C36 +59371 C C37 A PL9 WH . ? 0.7566 0.6562 0.6403 -0.0104 -0.0191 0.0132 406 PL9 d C37 +59372 C C37 B PL9 WH . ? 0.7553 0.6551 0.6391 -0.0104 -0.0191 0.0132 406 PL9 d C37 +59373 C C38 A PL9 WH . ? 0.8534 0.7554 0.7402 -0.0101 -0.0180 0.0140 406 PL9 d C38 +59374 C C38 B PL9 WH . ? 0.8539 0.7561 0.7408 -0.0101 -0.0179 0.0140 406 PL9 d C38 +59375 C C39 A PL9 WH . ? 0.8972 0.8019 0.7856 -0.0092 -0.0168 0.0149 406 PL9 d C39 +59376 C C39 B PL9 WH . ? 0.8996 0.8046 0.7882 -0.0093 -0.0167 0.0150 406 PL9 d C39 +59377 C C40 A PL9 WH . ? 0.9828 0.8878 0.8696 -0.0086 -0.0163 0.0153 406 PL9 d C40 +59378 C C40 B PL9 WH . ? 0.9890 0.8944 0.8762 -0.0087 -0.0163 0.0154 406 PL9 d C40 +59379 C C41 A PL9 WH . ? 0.7427 0.6501 0.6344 -0.0090 -0.0159 0.0156 406 PL9 d C41 +59380 C C41 B PL9 WH . ? 0.7415 0.6491 0.6334 -0.0091 -0.0159 0.0157 406 PL9 d C41 +59381 C C42 A PL9 WH . ? 0.8693 0.7763 0.7596 -0.0070 -0.0146 0.0157 406 PL9 d C42 +59382 C C42 B PL9 WH . ? 0.8762 0.7833 0.7668 -0.0071 -0.0146 0.0157 406 PL9 d C42 +59383 C C43 A PL9 WH . ? 0.7849 0.6958 0.6784 -0.0064 -0.0133 0.0166 406 PL9 d C43 +59384 C C43 B PL9 WH . ? 0.7841 0.6951 0.6777 -0.0065 -0.0133 0.0166 406 PL9 d C43 +59385 C C44 A PL9 WH . ? 0.8229 0.7345 0.7170 -0.0051 -0.0125 0.0166 406 PL9 d C44 +59386 C C44 B PL9 WH . ? 0.8238 0.7354 0.7179 -0.0050 -0.0125 0.0166 406 PL9 d C44 +59387 C C45 A PL9 WH . ? 0.7194 0.6275 0.6107 -0.0042 -0.0129 0.0159 406 PL9 d C45 +59388 C C45 B PL9 WH . ? 0.7179 0.6262 0.6095 -0.0042 -0.0129 0.0159 406 PL9 d C45 +59389 C C46 A PL9 WH . ? 0.7341 0.6496 0.6312 -0.0043 -0.0112 0.0173 406 PL9 d C46 +59390 C C46 B PL9 WH . ? 0.7331 0.6488 0.6303 -0.0042 -0.0111 0.0173 406 PL9 d C46 +59391 C C47 A PL9 WH . ? 0.9492 0.8679 0.8503 -0.0059 -0.0115 0.0179 406 PL9 d C47 +59392 C C47 B PL9 WH . ? 0.9526 0.8714 0.8538 -0.0059 -0.0115 0.0179 406 PL9 d C47 +59393 C C48 A PL9 WH . ? 0.7417 0.6644 0.6459 -0.0052 -0.0102 0.0185 406 PL9 d C48 +59394 C C48 B PL9 WH . ? 0.7410 0.6638 0.6453 -0.0052 -0.0102 0.0185 406 PL9 d C48 +59395 C C49 A PL9 WH . ? 0.6964 0.6220 0.6043 -0.0063 -0.0104 0.0189 406 PL9 d C49 +59396 C C49 B PL9 WH . ? 0.6952 0.6211 0.6033 -0.0063 -0.0104 0.0189 406 PL9 d C49 +59397 C C50 A PL9 WH . ? 0.8270 0.7567 0.7382 -0.0058 -0.0093 0.0193 406 PL9 d C50 +59398 C C50 B PL9 WH . ? 0.8307 0.7606 0.7420 -0.0057 -0.0091 0.0193 406 PL9 d C50 +59399 C C51 A PL9 WH . ? 0.7288 0.6536 0.6376 -0.0079 -0.0119 0.0189 406 PL9 d C51 +59400 C C51 B PL9 WH . ? 0.7264 0.6516 0.6355 -0.0079 -0.0118 0.0189 406 PL9 d C51 +59401 C C52 A PL9 WH . ? 0.7843 0.6446 0.5881 0.0079 -0.0188 0.0168 406 PL9 d C52 +59402 C C52 B PL9 WH . ? 0.7901 0.6504 0.5939 0.0078 -0.0193 0.0167 406 PL9 d C52 +59403 C C53 A PL9 WH . ? 0.8503 0.7047 0.6460 0.0093 -0.0240 0.0129 406 PL9 d C53 +59404 C C53 B PL9 WH . ? 0.8508 0.7051 0.6464 0.0093 -0.0241 0.0127 406 PL9 d C53 +59405 O O1 A PL9 WH . ? 0.8341 0.7026 0.6513 0.0055 -0.0159 0.0170 406 PL9 d O1 +59406 O O1 B PL9 WH . ? 0.8402 0.7086 0.6572 0.0054 -0.0161 0.0171 406 PL9 d O1 +59407 O O2 A PL9 WH . ? 0.8451 0.7017 0.6467 0.0078 -0.0241 0.0104 406 PL9 d O2 +59408 O O2 B PL9 WH . ? 0.8486 0.7053 0.6505 0.0078 -0.0239 0.0104 406 PL9 d O2 +59409 O O1 A LHG XH . ? 0.9827 0.8699 0.8311 0.0000 -0.0385 0.0164 407 LHG d O1 +59410 O O1 B LHG XH . ? 0.9861 0.8736 0.8350 -0.0001 -0.0386 0.0163 407 LHG d O1 +59411 C C1 A LHG XH . ? 0.9398 0.8255 0.7857 -0.0001 -0.0374 0.0159 407 LHG d C1 +59412 C C1 B LHG XH . ? 0.9425 0.8281 0.7882 -0.0001 -0.0377 0.0158 407 LHG d C1 +59413 C C2 A LHG XH . ? 0.9404 0.8221 0.7802 0.0011 -0.0353 0.0173 407 LHG d C2 +59414 C C2 B LHG XH . ? 0.9412 0.8230 0.7812 0.0012 -0.0354 0.0173 407 LHG d C2 +59415 O O2 A LHG XH . ? 1.1007 0.9833 0.9428 0.0006 -0.0328 0.0191 407 LHG d O2 +59416 O O2 B LHG XH . ? 1.1041 0.9871 0.9467 0.0004 -0.0328 0.0190 407 LHG d O2 +59417 C C3 A LHG XH . ? 0.9297 0.8097 0.7668 0.0011 -0.0336 0.0170 407 LHG d C3 +59418 C C3 B LHG XH . ? 0.9361 0.8160 0.7729 0.0013 -0.0339 0.0169 407 LHG d C3 +59419 O O3 A LHG XH . ? 0.7875 0.6677 0.6252 0.0007 -0.0301 0.0184 407 LHG d O3 +59420 O O3 B LHG XH . ? 0.7871 0.6676 0.6254 0.0006 -0.0304 0.0182 407 LHG d O3 +59421 P P A LHG XH . ? 0.8035 0.6809 0.6366 0.0014 -0.0275 0.0187 407 LHG d P +59422 P P B LHG XH . ? 0.8047 0.6823 0.6382 0.0014 -0.0277 0.0187 407 LHG d P +59423 O O4 A LHG XH . ? 0.8724 0.7481 0.7028 0.0020 -0.0247 0.0206 407 LHG d O4 +59424 O O4 B LHG XH . ? 0.8793 0.7554 0.7105 0.0018 -0.0250 0.0206 407 LHG d O4 +59425 O O5 A LHG XH . ? 0.7538 0.6284 0.5821 0.0025 -0.0295 0.0172 407 LHG d O5 +59426 O O5 B LHG XH . ? 0.7530 0.6277 0.5814 0.0025 -0.0296 0.0173 407 LHG d O5 +59427 O O6 A LHG XH . ? 0.8346 0.7154 0.6733 0.0000 -0.0258 0.0184 407 LHG d O6 +59428 O O6 B LHG XH . ? 0.8376 0.7185 0.6765 0.0000 -0.0260 0.0183 407 LHG d O6 +59429 C C4 A LHG XH . ? 0.7496 0.6322 0.5913 -0.0007 -0.0228 0.0198 407 LHG d C4 +59430 C C4 B LHG XH . ? 0.7503 0.6330 0.5920 -0.0007 -0.0229 0.0197 407 LHG d C4 +59431 C C5 A LHG XH . ? 0.7302 0.6165 0.5780 -0.0021 -0.0228 0.0191 407 LHG d C5 +59432 C C5 B LHG XH . ? 0.7276 0.6140 0.5756 -0.0022 -0.0229 0.0190 407 LHG d C5 +59433 C C6 A LHG XH . ? 0.7733 0.6622 0.6252 -0.0030 -0.0204 0.0205 407 LHG d C6 +59434 C C6 B LHG XH . ? 0.7736 0.6626 0.6257 -0.0031 -0.0205 0.0204 407 LHG d C6 +59435 O O7 A LHG XH . ? 0.7442 0.6298 0.5909 -0.0019 -0.0218 0.0184 407 LHG d O7 +59436 O O7 B LHG XH . ? 0.7423 0.6280 0.5892 -0.0019 -0.0219 0.0183 407 LHG d O7 +59437 C C7 A LHG XH . ? 0.7210 0.6068 0.5686 -0.0023 -0.0241 0.0167 407 LHG d C7 +59438 C C7 B LHG XH . ? 0.7210 0.6069 0.5688 -0.0023 -0.0242 0.0166 407 LHG d C7 +59439 O O9 A LHG XH . ? 0.7530 0.6398 0.6025 -0.0029 -0.0266 0.0160 407 LHG d O9 +59440 O O9 B LHG XH . ? 0.7538 0.6407 0.6034 -0.0029 -0.0268 0.0159 407 LHG d O9 +59441 C C8 A LHG XH . ? 0.7679 0.6526 0.6142 -0.0020 -0.0232 0.0158 407 LHG d C8 +59442 C C8 B LHG XH . ? 0.7646 0.6494 0.6112 -0.0021 -0.0234 0.0157 407 LHG d C8 +59443 C C9 A LHG XH . ? 0.8174 0.7043 0.6683 -0.0033 -0.0243 0.0147 407 LHG d C9 +59444 C C9 B LHG XH . ? 0.8268 0.7139 0.6781 -0.0035 -0.0247 0.0146 407 LHG d C9 +59445 C C10 A LHG XH . ? 0.8390 0.7294 0.6955 -0.0043 -0.0226 0.0157 407 LHG d C10 +59446 C C10 B LHG XH . ? 0.8368 0.7275 0.6938 -0.0045 -0.0230 0.0155 407 LHG d C10 +59447 O O8 A LHG XH . ? 0.7865 0.6782 0.6431 -0.0041 -0.0200 0.0199 407 LHG d O8 +59448 O O8 B LHG XH . ? 0.7884 0.6804 0.6455 -0.0042 -0.0203 0.0198 407 LHG d O8 +59449 C C23 A LHG XH . ? 0.7339 0.6289 0.5959 -0.0053 -0.0189 0.0207 407 LHG d C23 +59450 C C23 B LHG XH . ? 0.7320 0.6272 0.5944 -0.0053 -0.0190 0.0206 407 LHG d C23 +59451 O O10 A LHG XH . ? 0.7705 0.6656 0.6324 -0.0054 -0.0173 0.0219 407 LHG d O10 +59452 O O10 B LHG XH . ? 0.7730 0.6683 0.6352 -0.0054 -0.0174 0.0219 407 LHG d O10 +59453 C C24 A LHG XH . ? 0.7589 0.6568 0.6260 -0.0064 -0.0196 0.0198 407 LHG d C24 +59454 C C24 B LHG XH . ? 0.7604 0.6586 0.6280 -0.0065 -0.0197 0.0198 407 LHG d C24 +59455 C C11 A LHG XH . ? 0.8760 0.7665 0.7329 -0.0041 -0.0207 0.0155 407 LHG d C11 +59456 C C11 B LHG XH . ? 0.8803 0.7709 0.7372 -0.0040 -0.0206 0.0156 407 LHG d C11 +59457 C C12 A LHG XH . ? 0.8115 0.7055 0.6742 -0.0052 -0.0197 0.0160 407 LHG d C12 +59458 C C12 B LHG XH . ? 0.8105 0.7045 0.6730 -0.0051 -0.0196 0.0161 407 LHG d C12 +59459 C C13 A LHG XH . ? 0.8038 0.6980 0.6663 -0.0044 -0.0173 0.0163 407 LHG d C13 +59460 C C13 B LHG XH . ? 0.8024 0.6965 0.6648 -0.0043 -0.0172 0.0163 407 LHG d C13 +59461 C C14 A LHG XH . ? 1.0030 0.8998 0.8704 -0.0053 -0.0171 0.0161 407 LHG d C14 +59462 C C14 B LHG XH . ? 1.0059 0.9027 0.8733 -0.0053 -0.0170 0.0162 407 LHG d C14 +59463 C C15 A LHG XH . ? 1.0013 0.8994 0.8697 -0.0045 -0.0145 0.0167 407 LHG d C15 +59464 C C15 B LHG XH . ? 1.0038 0.9020 0.8724 -0.0045 -0.0145 0.0168 407 LHG d C15 +59465 C C16 A LHG XH . ? 0.9891 0.8908 0.8630 -0.0055 -0.0140 0.0173 407 LHG d C16 +59466 C C16 B LHG XH . ? 0.9892 0.8911 0.8634 -0.0056 -0.0141 0.0173 407 LHG d C16 +59467 C C17 A LHG XH . ? 0.8218 0.7236 0.6979 -0.0065 -0.0156 0.0164 407 LHG d C17 +59468 C C17 B LHG XH . ? 0.8209 0.7227 0.6970 -0.0065 -0.0157 0.0164 407 LHG d C17 +59469 C C18 A LHG XH . ? 0.8793 0.7845 0.7606 -0.0076 -0.0153 0.0170 407 LHG d C18 +59470 C C18 B LHG XH . ? 0.8810 0.7861 0.7623 -0.0076 -0.0155 0.0169 407 LHG d C18 +59471 C C19 A LHG XH . ? 0.8427 0.7494 0.7256 -0.0068 -0.0135 0.0173 407 LHG d C19 +59472 C C19 B LHG XH . ? 0.8412 0.7479 0.7242 -0.0069 -0.0137 0.0173 407 LHG d C19 +59473 C C20 A LHG XH . ? 0.8016 0.7109 0.6891 -0.0078 -0.0138 0.0175 407 LHG d C20 +59474 C C20 B LHG XH . ? 0.8011 0.7105 0.6887 -0.0079 -0.0139 0.0175 407 LHG d C20 +59475 C C21 A LHG XH . ? 0.9085 0.8200 0.7980 -0.0069 -0.0121 0.0179 407 LHG d C21 +59476 C C21 B LHG XH . ? 0.9076 0.8187 0.7968 -0.0069 -0.0123 0.0178 407 LHG d C21 +59477 C C22 A LHG XH . ? 0.9369 0.8509 0.8306 -0.0080 -0.0125 0.0182 407 LHG d C22 +59478 C C22 B LHG XH . ? 0.9385 0.8524 0.8322 -0.0079 -0.0125 0.0181 407 LHG d C22 +59479 C C25 A LHG XH . ? 0.7555 0.6560 0.6263 -0.0070 -0.0172 0.0206 407 LHG d C25 +59480 C C25 B LHG XH . ? 0.7549 0.6556 0.6260 -0.0071 -0.0172 0.0205 407 LHG d C25 +59481 C C26 A LHG XH . ? 0.7393 0.6389 0.6079 -0.0061 -0.0152 0.0205 407 LHG d C26 +59482 C C26 B LHG XH . ? 0.7396 0.6391 0.6081 -0.0061 -0.0152 0.0205 407 LHG d C26 +59483 C C27 A LHG XH . ? 0.7837 0.6864 0.6564 -0.0067 -0.0130 0.0212 407 LHG d C27 +59484 C C27 B LHG XH . ? 0.7858 0.6883 0.6583 -0.0067 -0.0130 0.0212 407 LHG d C27 +59485 C C28 A LHG XH . ? 0.7384 0.6404 0.6087 -0.0057 -0.0105 0.0216 407 LHG d C28 +59486 C C28 B LHG XH . ? 0.7378 0.6397 0.6079 -0.0056 -0.0105 0.0216 407 LHG d C28 +59487 C C29 A LHG XH . ? 0.7818 0.6826 0.6505 -0.0048 -0.0109 0.0204 407 LHG d C29 +59488 C C29 B LHG XH . ? 0.7808 0.6814 0.6491 -0.0047 -0.0108 0.0204 407 LHG d C29 +59489 C C30 A LHG XH . ? 0.8938 0.7939 0.7600 -0.0035 -0.0084 0.0207 407 LHG d C30 +59490 C C30 B LHG XH . ? 0.8948 0.7950 0.7609 -0.0035 -0.0082 0.0208 407 LHG d C30 +59491 C C31 A LHG XH . ? 0.8078 0.7117 0.6785 -0.0039 -0.0062 0.0213 407 LHG d C31 +59492 C C31 B LHG XH . ? 0.8072 0.7112 0.6780 -0.0039 -0.0061 0.0213 407 LHG d C31 +59493 C C32 A LHG XH . ? 0.8317 0.7352 0.7001 -0.0024 -0.0038 0.0213 407 LHG d C32 +59494 C C32 B LHG XH . ? 0.8319 0.7357 0.7007 -0.0025 -0.0037 0.0213 407 LHG d C32 +59495 C C33 A LHG XH . ? 0.9590 0.8661 0.8312 -0.0028 -0.0013 0.0222 407 LHG d C33 +59496 C C33 B LHG XH . ? 0.9601 0.8677 0.8329 -0.0029 -0.0013 0.0222 407 LHG d C33 +59497 C C34 A LHG XH . ? 0.9732 0.8806 0.8441 -0.0012 0.0009 0.0219 407 LHG d C34 +59498 C C34 B LHG XH . ? 0.9778 0.8856 0.8493 -0.0013 0.0009 0.0219 407 LHG d C34 +59499 C C35 A LHG XH . ? 0.9716 0.8761 0.8371 -0.0003 0.0024 0.0222 407 LHG d C35 +59500 C C35 B LHG XH . ? 0.9678 0.8723 0.8334 -0.0002 0.0021 0.0220 407 LHG d C35 +59501 C C36 A LHG XH . ? 1.0007 0.9057 0.8650 0.0014 0.0047 0.0219 407 LHG d C36 +59502 C C36 B LHG XH . ? 1.0004 0.9055 0.8650 0.0014 0.0046 0.0218 407 LHG d C36 +59503 C C37 A LHG XH . ? 0.9677 0.8735 0.8311 0.0014 0.0078 0.0229 407 LHG d C37 +59504 C C37 B LHG XH . ? 0.9723 0.8786 0.8366 0.0012 0.0076 0.0228 407 LHG d C37 +59505 C C38 A LHG XH . ? 0.9541 0.8609 0.8169 0.0031 0.0102 0.0224 407 LHG d C38 +59506 C C38 B LHG XH . ? 0.9549 0.8619 0.8179 0.0030 0.0102 0.0225 407 LHG d C38 +59507 O O1 A LHG YH . ? 0.9818 0.7653 0.6728 0.0376 -0.0072 -0.0040 408 LHG d O1 +59508 O O1 B LHG YH . ? 0.9829 0.7667 0.6743 0.0375 -0.0073 -0.0039 408 LHG d O1 +59509 C C1 A LHG YH . ? 0.9838 0.7707 0.6801 0.0382 -0.0038 -0.0034 408 LHG d C1 +59510 C C1 B LHG YH . ? 0.9849 0.7719 0.6813 0.0381 -0.0039 -0.0034 408 LHG d C1 +59511 C C2 A LHG YH . ? 0.8990 0.6932 0.6051 0.0364 -0.0028 -0.0015 408 LHG d C2 +59512 C C2 B LHG YH . ? 0.8974 0.6917 0.6037 0.0363 -0.0028 -0.0015 408 LHG d C2 +59513 O O2 A LHG YH . ? 0.9152 0.7110 0.6207 0.0363 -0.0012 0.0004 408 LHG d O2 +59514 O O2 B LHG YH . ? 0.9162 0.7123 0.6220 0.0364 -0.0008 0.0005 408 LHG d O2 +59515 C C3 A LHG YH . ? 0.9186 0.7153 0.6309 0.0336 -0.0068 -0.0020 408 LHG d C3 +59516 C C3 B LHG YH . ? 0.9192 0.7160 0.6316 0.0336 -0.0068 -0.0020 408 LHG d C3 +59517 O O3 A LHG YH . ? 0.8868 0.6815 0.5960 0.0326 -0.0104 -0.0023 408 LHG d O3 +59518 O O3 B LHG YH . ? 0.8855 0.6803 0.5949 0.0326 -0.0104 -0.0023 408 LHG d O3 +59519 P P A LHG YH . ? 0.9357 0.7342 0.6484 0.0312 -0.0109 -0.0004 408 LHG d P +59520 P P B LHG YH . ? 0.9381 0.7368 0.6511 0.0312 -0.0108 -0.0004 408 LHG d P +59521 O O4 A LHG YH . ? 0.8331 0.6284 0.5413 0.0307 -0.0152 -0.0014 408 LHG d O4 +59522 O O4 B LHG YH . ? 0.8307 0.6262 0.5391 0.0307 -0.0150 -0.0013 408 LHG d O4 +59523 O O5 A LHG YH . ? 0.8415 0.6419 0.5541 0.0324 -0.0064 0.0017 408 LHG d O5 +59524 O O5 B LHG YH . ? 0.8388 0.6392 0.5513 0.0325 -0.0062 0.0017 408 LHG d O5 +59525 O O6 A LHG YH . ? 0.9508 0.7551 0.6739 0.0288 -0.0122 -0.0001 408 LHG d O6 +59526 O O6 B LHG YH . ? 0.9514 0.7561 0.6749 0.0287 -0.0120 0.0000 408 LHG d O6 +59527 C C4 A LHG YH . ? 0.8913 0.6960 0.6172 0.0267 -0.0165 -0.0014 408 LHG d C4 +59528 C C4 B LHG YH . ? 0.8909 0.6958 0.6171 0.0267 -0.0163 -0.0013 408 LHG d C4 +59529 C C5 A LHG YH . ? 0.9277 0.7363 0.6616 0.0253 -0.0162 -0.0015 408 LHG d C5 +59530 C C5 B LHG YH . ? 0.9282 0.7369 0.6622 0.0253 -0.0161 -0.0015 408 LHG d C5 +59531 C C6 A LHG YH . ? 0.9238 0.7384 0.6648 0.0246 -0.0138 0.0007 408 LHG d C6 +59532 C C6 B LHG YH . ? 0.9255 0.7403 0.6670 0.0244 -0.0140 0.0007 408 LHG d C6 +59533 O O7 A LHG YH . ? 0.9577 0.7642 0.6895 0.0270 -0.0137 -0.0022 408 LHG d O7 +59534 O O7 B LHG YH . ? 0.9607 0.7674 0.6927 0.0270 -0.0136 -0.0021 408 LHG d O7 +59535 C C7 A LHG YH . ? 0.8330 0.6350 0.5612 0.0270 -0.0161 -0.0045 408 LHG d C7 +59536 C C7 B LHG YH . ? 0.8294 0.6315 0.5578 0.0270 -0.0159 -0.0044 408 LHG d C7 +59537 O O9 A LHG YH . ? 0.9489 0.7491 0.6757 0.0256 -0.0198 -0.0057 408 LHG d O9 +59538 O O9 B LHG YH . ? 0.9497 0.7501 0.6768 0.0256 -0.0197 -0.0056 408 LHG d O9 +59539 C C8 A LHG YH . ? 0.9229 0.7224 0.6491 0.0286 -0.0139 -0.0053 408 LHG d C8 +59540 C C8 B LHG YH . ? 0.9220 0.7216 0.6483 0.0287 -0.0137 -0.0052 408 LHG d C8 +59541 C C9 A LHG YH . ? 0.9765 0.7708 0.6986 0.0282 -0.0169 -0.0077 408 LHG d C9 +59542 C C9 B LHG YH . ? 0.9751 0.7693 0.6969 0.0284 -0.0167 -0.0077 408 LHG d C9 +59543 C C10 A LHG YH . ? 1.1067 0.8986 0.8278 0.0296 -0.0150 -0.0086 408 LHG d C10 +59544 C C10 B LHG YH . ? 1.1060 0.8981 0.8273 0.0296 -0.0150 -0.0086 408 LHG d C10 +59545 O O8 A LHG YH . ? 0.9231 0.7411 0.6711 0.0235 -0.0134 0.0006 408 LHG d O8 +59546 O O8 B LHG YH . ? 0.9224 0.7406 0.6708 0.0233 -0.0135 0.0007 408 LHG d O8 +59547 C C23 A LHG YH . ? 0.9087 0.7327 0.6647 0.0221 -0.0123 0.0023 408 LHG d C23 +59548 C C23 B LHG YH . ? 0.9097 0.7340 0.6661 0.0220 -0.0123 0.0024 408 LHG d C23 +59549 O O10 A LHG YH . ? 0.8669 0.6929 0.6232 0.0225 -0.0102 0.0040 408 LHG d O10 +59550 O O10 B LHG YH . ? 0.8662 0.6923 0.6226 0.0225 -0.0102 0.0040 408 LHG d O10 +59551 C C24 A LHG YH . ? 0.9088 0.7363 0.6722 0.0202 -0.0136 0.0021 408 LHG d C24 +59552 C C24 B LHG YH . ? 0.9082 0.7360 0.6720 0.0201 -0.0136 0.0022 408 LHG d C24 +59553 C C11 A LHG YH . ? 1.2951 1.0801 1.0090 0.0300 -0.0173 -0.0110 408 LHG d C11 +59554 C C11 B LHG YH . ? 1.2972 1.0822 1.0110 0.0301 -0.0173 -0.0110 408 LHG d C11 +59555 C C12 A LHG YH . ? 1.3406 1.1236 1.0560 0.0296 -0.0178 -0.0124 408 LHG d C12 +59556 C C12 B LHG YH . ? 1.3405 1.1235 1.0558 0.0296 -0.0178 -0.0124 408 LHG d C12 +59557 C C13 A LHG YH . ? 1.5425 1.3299 1.2662 0.0266 -0.0197 -0.0120 408 LHG d C13 +59558 C C13 B LHG YH . ? 1.5460 1.3335 1.2698 0.0266 -0.0197 -0.0120 408 LHG d C13 +59559 C C14 A LHG YH . ? 1.5378 1.3219 1.2616 0.0257 -0.0210 -0.0136 408 LHG d C14 +59560 C C14 B LHG YH . ? 1.5396 1.3236 1.2634 0.0256 -0.0210 -0.0136 408 LHG d C14 +59561 C C15 A LHG YH . ? 1.5809 1.3696 1.3132 0.0231 -0.0218 -0.0129 408 LHG d C15 +59562 C C15 B LHG YH . ? 1.5830 1.3716 1.3153 0.0230 -0.0220 -0.0130 408 LHG d C15 +59563 C C16 A LHG YH . ? 1.5461 1.3305 1.2775 0.0222 -0.0231 -0.0146 408 LHG d C16 +59564 C C16 B LHG YH . ? 1.5463 1.3306 1.2777 0.0221 -0.0232 -0.0147 408 LHG d C16 +59565 C C17 A LHG YH . ? 1.6173 1.4057 1.3567 0.0199 -0.0235 -0.0139 408 LHG d C17 +59566 C C17 B LHG YH . ? 1.6188 1.4071 1.3581 0.0200 -0.0234 -0.0139 408 LHG d C17 +59567 C C18 A LHG YH . ? 1.6458 1.4291 1.3833 0.0193 -0.0243 -0.0155 408 LHG d C18 +59568 C C18 B LHG YH . ? 1.6466 1.4299 1.3841 0.0193 -0.0242 -0.0155 408 LHG d C18 +59569 C C19 A LHG YH . ? 1.6915 1.4780 1.4361 0.0168 -0.0248 -0.0149 408 LHG d C19 +59570 C C19 B LHG YH . ? 1.6932 1.4798 1.4379 0.0170 -0.0247 -0.0149 408 LHG d C19 +59571 C C20 A LHG YH . ? 1.8577 1.6385 1.5998 0.0164 -0.0254 -0.0164 408 LHG d C20 +59572 C C20 B LHG YH . ? 1.8608 1.6418 1.6030 0.0165 -0.0252 -0.0163 408 LHG d C20 +59573 C C21 A LHG YH . ? 1.6949 1.4786 1.4436 0.0146 -0.0251 -0.0155 408 LHG d C21 +59574 C C21 B LHG YH . ? 1.6959 1.4798 1.4448 0.0147 -0.0250 -0.0155 408 LHG d C21 +59575 C C22 A LHG YH . ? 1.5739 1.3609 1.3277 0.0108 -0.0278 -0.0157 408 LHG d C22 +59576 C C22 B LHG YH . ? 1.5746 1.3614 1.3282 0.0109 -0.0277 -0.0157 408 LHG d C22 +59577 C C25 A LHG YH . ? 0.9343 0.7656 0.7027 0.0207 -0.0102 0.0032 408 LHG d C25 +59578 C C25 B LHG YH . ? 0.9350 0.7664 0.7036 0.0207 -0.0102 0.0032 408 LHG d C25 +59579 C C26 A LHG YH . ? 0.9303 0.7644 0.7053 0.0191 -0.0114 0.0028 408 LHG d C26 +59580 C C26 B LHG YH . ? 0.9308 0.7648 0.7058 0.0191 -0.0113 0.0028 408 LHG d C26 +59581 C C27 A LHG YH . ? 0.9581 0.7877 0.7301 0.0189 -0.0136 0.0008 408 LHG d C27 +59582 C C27 B LHG YH . ? 0.9591 0.7887 0.7311 0.0189 -0.0136 0.0008 408 LHG d C27 +59583 C C28 A LHG YH . ? 0.9756 0.8033 0.7460 0.0209 -0.0114 0.0002 408 LHG d C28 +59584 C C28 B LHG YH . ? 0.9761 0.8038 0.7463 0.0209 -0.0114 0.0002 408 LHG d C28 +59585 C C29 A LHG YH . ? 1.0212 0.8430 0.7861 0.0211 -0.0135 -0.0019 408 LHG d C29 +59586 C C29 B LHG YH . ? 1.0212 0.8430 0.7863 0.0210 -0.0135 -0.0020 408 LHG d C29 +59587 C C30 A LHG YH . ? 1.1624 0.9800 0.9205 0.0240 -0.0113 -0.0025 408 LHG d C30 +59588 C C30 B LHG YH . ? 1.1640 0.9815 0.9220 0.0238 -0.0115 -0.0026 408 LHG d C30 +59589 C C31 A LHG YH . ? 1.1987 1.0102 0.9493 0.0242 -0.0137 -0.0044 408 LHG d C31 +59590 C C31 B LHG YH . ? 1.2011 1.0124 0.9518 0.0239 -0.0141 -0.0045 408 LHG d C31 +59591 C C32 A LHG YH . ? 1.2184 1.0257 0.9672 0.0240 -0.0150 -0.0062 408 LHG d C32 +59592 C C32 B LHG YH . ? 1.2184 1.0255 0.9672 0.0238 -0.0152 -0.0063 408 LHG d C32 +59593 C C33 A LHG YH . ? 1.1830 0.9897 0.9313 0.0264 -0.0118 -0.0060 408 LHG d C33 +59594 C C33 B LHG YH . ? 1.1816 0.9881 0.9297 0.0264 -0.0119 -0.0061 408 LHG d C33 +59595 C C34 A LHG YH . ? 1.4014 1.2034 1.1475 0.0264 -0.0130 -0.0078 408 LHG d C34 +59596 C C34 B LHG YH . ? 1.4030 1.2048 1.1488 0.0265 -0.0129 -0.0078 408 LHG d C34 +59597 C C35 A LHG YH . ? 1.5227 1.3216 1.2643 0.0297 -0.0102 -0.0082 408 LHG d C35 +59598 C C35 B LHG YH . ? 1.5256 1.3245 1.2669 0.0299 -0.0100 -0.0082 408 LHG d C35 +59599 C C36 A LHG YH . ? 1.4316 1.2278 1.1663 0.0317 -0.0090 -0.0084 408 LHG d C36 +59600 C C36 B LHG YH . ? 1.4335 1.2296 1.1679 0.0318 -0.0089 -0.0083 408 LHG d C36 +59601 C C37 A LHG YH . ? 1.4927 1.2816 1.2194 0.0319 -0.0113 -0.0106 408 LHG d C37 +59602 C C37 B LHG YH . ? 1.4945 1.2833 1.2210 0.0319 -0.0112 -0.0105 408 LHG d C37 +59603 C C38 A LHG YH . ? 1.4686 1.2541 1.1876 0.0345 -0.0096 -0.0108 408 LHG d C38 +59604 C C38 B LHG YH . ? 1.4700 1.2553 1.1888 0.0346 -0.0095 -0.0109 408 LHG d C38 +59605 C C23 . UNL ZH . ? 1.2822 1.2081 1.1743 -0.0322 -0.0980 -0.0398 409 UNL d C23 +59606 C C24 . UNL ZH . ? 1.1341 1.0569 1.0260 -0.0361 -0.0965 -0.0411 409 UNL d C24 +59607 C C25 . UNL ZH . ? 1.0721 0.9981 0.9673 -0.0386 -0.1001 -0.0447 409 UNL d C25 +59608 C C26 . UNL ZH . ? 1.0501 0.9716 0.9434 -0.0422 -0.0990 -0.0462 409 UNL d C26 +59609 C C27 . UNL ZH . ? 0.9697 0.8964 0.8716 -0.0466 -0.0981 -0.0477 409 UNL d C27 +59610 C C28 . UNL ZH . ? 0.9517 0.8733 0.8512 -0.0502 -0.0971 -0.0492 409 UNL d C28 +59611 C C29 . UNL ZH . ? 1.0066 0.9329 0.9142 -0.0548 -0.0963 -0.0510 409 UNL d C29 +59612 C C30 . UNL ZH . ? 0.9379 0.8589 0.8426 -0.0584 -0.0961 -0.0529 409 UNL d C30 +59613 C C31 . UNL ZH . ? 1.0886 1.0131 1.0005 -0.0633 -0.0946 -0.0545 409 UNL d C31 +59614 C C32 . UNL ZH . ? 1.0573 0.9756 0.9655 -0.0668 -0.0943 -0.0563 409 UNL d C32 +59615 C C33 . UNL ZH . ? 1.3476 1.2672 1.2613 -0.0714 -0.0913 -0.0567 409 UNL d C33 +59616 C C34 . UNL ZH . ? 1.0168 0.9327 0.9293 -0.0758 -0.0921 -0.0595 409 UNL d C34 +59617 C C35 . UNL ZH . ? 1.4487 1.3644 1.3654 -0.0802 -0.0884 -0.0594 409 UNL d C35 +59618 C C36 . UNL ZH . ? 1.5237 1.4490 1.4509 -0.0829 -0.0890 -0.0610 409 UNL d C36 +59619 C C37 . UNL ZH . ? 1.5010 1.4258 1.4320 -0.0874 -0.0851 -0.0608 409 UNL d C37 +59620 C C38 . UNL ZH . ? 1.2086 1.1424 1.1498 -0.0910 -0.0858 -0.0631 409 UNL d C38 +59621 O O10 . UNL ZH . ? 1.2459 1.1700 1.1330 -0.0295 -0.1009 -0.0403 409 UNL d O10 +59622 C C10 . UNL AI . ? 1.4638 1.4118 1.3725 -0.0378 -0.1197 -0.0567 410 UNL d C10 +59623 C C11 . UNL AI . ? 1.2036 1.1465 1.1107 -0.0418 -0.1166 -0.0569 410 UNL d C11 +59624 C C12 . UNL AI . ? 1.0138 0.9611 0.9293 -0.0455 -0.1133 -0.0567 410 UNL d C12 +59625 C C13 . UNL AI . ? 0.9569 0.9006 0.8720 -0.0501 -0.1118 -0.0582 410 UNL d C13 +59626 C C14 . UNL AI . ? 1.0172 0.9678 0.9422 -0.0545 -0.1115 -0.0604 410 UNL d C14 +59627 C C15 . UNL AI . ? 1.2097 1.1560 1.1340 -0.0592 -0.1094 -0.0616 410 UNL d C15 +59628 C C16 . UNL AI . ? 1.0461 0.9991 0.9798 -0.0640 -0.1097 -0.0643 410 UNL d C16 +59629 C C17 . UNL AI . ? 1.2274 1.1749 1.1595 -0.0685 -0.1070 -0.0650 410 UNL d C17 +59630 C C18 . UNL AI . ? 1.2181 1.1716 1.1587 -0.0737 -0.1076 -0.0681 410 UNL d C18 +59631 C C23 . UNL AI . ? 1.4498 1.3970 1.3610 -0.0335 -0.1081 -0.0467 410 UNL d C23 +59632 C C24 . UNL AI . ? 1.1952 1.1512 1.1165 -0.0350 -0.1085 -0.0478 410 UNL d C24 +59633 C C25 . UNL AI . ? 1.0579 1.0137 0.9830 -0.0384 -0.1039 -0.0466 410 UNL d C25 +59634 C C26 . UNL AI . ? 1.0250 0.9849 0.9567 -0.0430 -0.1045 -0.0496 410 UNL d C26 +59635 C C27 . UNL AI . ? 1.0034 0.9576 0.9325 -0.0465 -0.1012 -0.0493 410 UNL d C27 +59636 C C28 . UNL AI . ? 0.9616 0.9207 0.8987 -0.0512 -0.1005 -0.0516 410 UNL d C28 +59637 C C29 . UNL AI . ? 0.8733 0.8264 0.8076 -0.0549 -0.0977 -0.0516 410 UNL d C29 +59638 C C30 . UNL AI . ? 1.0545 1.0127 0.9968 -0.0597 -0.0973 -0.0541 410 UNL d C30 +59639 C C31 . UNL AI . ? 1.0697 1.0217 1.0092 -0.0635 -0.0944 -0.0542 410 UNL d C31 +59640 C C32 . UNL AI . ? 1.1687 1.1257 1.1161 -0.0685 -0.0940 -0.0567 410 UNL d C32 +59641 C C33 . UNL AI . ? 1.1247 1.0754 1.0692 -0.0725 -0.0915 -0.0572 410 UNL d C33 +59642 C C34 . UNL AI . ? 1.4799 1.4360 1.4322 -0.0776 -0.0919 -0.0602 410 UNL d C34 +59643 C C35 . UNL AI . ? 1.3880 1.3392 1.3397 -0.0820 -0.0881 -0.0600 410 UNL d C35 +59644 C C36 . UNL AI . ? 1.3275 1.2859 1.2888 -0.0860 -0.0865 -0.0613 410 UNL d C36 +59645 C C37 . UNL AI . ? 1.4529 1.4198 1.4213 -0.0874 -0.0905 -0.0649 410 UNL d C37 +59646 C C38 . UNL AI . ? 1.3842 1.3487 1.3518 -0.0915 -0.0923 -0.0681 410 UNL d C38 +59647 C C4 . UNL AI . ? 1.4752 1.4166 1.3670 -0.0193 -0.1187 -0.0457 410 UNL d C4 +59648 C C5 . UNL AI . ? 1.7793 1.7250 1.6785 -0.0241 -0.1186 -0.0483 410 UNL d C5 +59649 C C6 . UNL AI . ? 1.5266 1.4754 1.4326 -0.0263 -0.1144 -0.0467 410 UNL d C6 +59650 C C7 . UNL AI . ? 1.9076 1.8472 1.7992 -0.0264 -0.1227 -0.0524 410 UNL d C7 +59651 C C8 . UNL AI . ? 1.7618 1.7078 1.6610 -0.0299 -0.1257 -0.0562 410 UNL d C8 +59652 C C9 . UNL AI . ? 1.4121 1.3562 1.3129 -0.0348 -0.1237 -0.0576 410 UNL d C9 +59653 O O10 . UNL AI . ? 1.4380 1.3804 1.3466 -0.0356 -0.1051 -0.0459 410 UNL d O10 +59654 O O6 . UNL AI . ? 1.4518 1.3989 1.3475 -0.0167 -0.1212 -0.0458 410 UNL d O6 +59655 O O7 . UNL AI . ? 1.7815 1.7216 1.6760 -0.0265 -0.1181 -0.0494 410 UNL d O7 +59656 O O8 . UNL AI . ? 1.7156 1.6600 1.6199 -0.0296 -0.1112 -0.0465 410 UNL d O8 +59657 O O9 . UNL AI . ? 1.7797 1.7136 1.6627 -0.0237 -0.1241 -0.0519 410 UNL d O9 +59658 C C1 . HTG BI . ? 1.4172 1.4381 1.4046 -0.0666 -0.1452 -0.0907 411 HTG d C1 +59659 S S1 . HTG BI . ? 1.6409 1.6563 1.6278 -0.0701 -0.1377 -0.0876 411 HTG d S1 +59660 C C2 . HTG BI . ? 1.5179 1.5496 1.5165 -0.0700 -0.1481 -0.0950 411 HTG d C2 +59661 O O2 . HTG BI . ? 1.6730 1.7127 1.6816 -0.0712 -0.1452 -0.0946 411 HTG d O2 +59662 C C3 . HTG BI . ? 1.6727 1.7090 1.6712 -0.0659 -0.1545 -0.0972 411 HTG d C3 +59663 O O3 . HTG BI . ? 1.9340 1.9815 1.9436 -0.0684 -0.1575 -0.1012 411 HTG d O3 +59664 C C4 . HTG BI . ? 1.6511 1.6789 1.6393 -0.0652 -0.1575 -0.0981 411 HTG d C4 +59665 O O4 . HTG BI . ? 1.5987 1.6304 1.5861 -0.0612 -0.1637 -0.1001 411 HTG d O4 +59666 C C5 . HTG BI . ? 1.7769 1.7933 1.7537 -0.0625 -0.1541 -0.0939 411 HTG d C5 +59667 O O5 . HTG BI . ? 1.5602 1.5733 1.5380 -0.0657 -0.1479 -0.0915 411 HTG d O5 +59668 C C6 . HTG BI . ? 1.6107 1.6182 1.5770 -0.0621 -0.1566 -0.0947 411 HTG d C6 +59669 O O6 . HTG BI . ? 1.1495 1.1473 1.1052 -0.0585 -0.1539 -0.0908 411 HTG d O6 +59670 C "C1'" . HTG BI . ? 1.3590 1.3618 1.3327 -0.0666 -0.1349 -0.0833 411 HTG d "C1'" +59671 C "C2'" . HTG BI . ? 1.1490 1.1479 1.1227 -0.0687 -0.1286 -0.0803 411 HTG d "C2'" +59672 C "C3'" . HTG BI . ? 1.2971 1.2883 1.2663 -0.0730 -0.1264 -0.0807 411 HTG d "C3'" +59673 C "C4'" . HTG BI . ? 1.1681 1.1570 1.1391 -0.0757 -0.1204 -0.0784 411 HTG d "C4'" +59674 C C1 . LMG CI . ? 1.0101 0.6982 0.7254 -0.0222 -0.0340 -0.0336 412 LMG d C1 +59675 O O1 . LMG CI . ? 0.9951 0.6863 0.7095 -0.0203 -0.0353 -0.0345 412 LMG d O1 +59676 C C2 . LMG CI . ? 1.0121 0.6963 0.7236 -0.0174 -0.0317 -0.0319 412 LMG d C2 +59677 O O2 . LMG CI . ? 1.0284 0.7215 0.7453 -0.0142 -0.0307 -0.0298 412 LMG d O2 +59678 C C3 . LMG CI . ? 1.0190 0.6978 0.7294 -0.0189 -0.0303 -0.0312 412 LMG d C3 +59679 O O3 . LMG CI . ? 0.9984 0.6730 0.7044 -0.0140 -0.0284 -0.0299 412 LMG d O3 +59680 C C4 . LMG CI . ? 0.9970 0.6671 0.7028 -0.0233 -0.0314 -0.0335 412 LMG d C4 +59681 O O4 . LMG CI . ? 1.0043 0.6654 0.7012 -0.0207 -0.0315 -0.0350 412 LMG d O4 +59682 C C5 . LMG CI . ? 0.9655 0.6407 0.6760 -0.0281 -0.0337 -0.0352 412 LMG d C5 +59683 O O5 . LMG CI . ? 1.0045 0.6660 0.7096 -0.0350 -0.0336 -0.0372 412 LMG d O5 +59684 C C6 . LMG CI . ? 0.9519 0.6191 0.6581 -0.0325 -0.0350 -0.0378 412 LMG d C6 +59685 O O6 . LMG CI . ? 0.9279 0.6082 0.6392 -0.0262 -0.0351 -0.0358 412 LMG d O6 +59686 C C7 . LMG CI . ? 0.9922 0.6881 0.7108 -0.0244 -0.0377 -0.0360 412 LMG d C7 +59687 C C8 . LMG CI . ? 0.8852 0.5922 0.6110 -0.0232 -0.0380 -0.0345 412 LMG d C8 +59688 C C9 . LMG CI . ? 0.9249 0.6366 0.6546 -0.0272 -0.0407 -0.0361 412 LMG d C9 +59689 O O7 . LMG CI . ? 1.0292 0.7371 0.7519 -0.0184 -0.0374 -0.0339 412 LMG d O7 +59690 C C10 . LMG CI . ? 0.9302 0.6437 0.6567 -0.0150 -0.0353 -0.0312 412 LMG d C10 +59691 O O9 . LMG CI . ? 0.9551 0.6729 0.6873 -0.0166 -0.0346 -0.0298 412 LMG d O9 +59692 C C11 . LMG CI . ? 0.9064 0.6204 0.6297 -0.0096 -0.0339 -0.0303 412 LMG d C11 +59693 C C12 . LMG CI . ? 1.1059 0.8254 0.8304 -0.0090 -0.0353 -0.0308 412 LMG d C12 +59694 C C13 . LMG CI . ? 1.2245 0.9524 0.9570 -0.0125 -0.0368 -0.0304 412 LMG d C13 +59695 C C14 . LMG CI . ? 1.4027 1.1378 1.1378 -0.0102 -0.0371 -0.0295 412 LMG d C14 +59696 C C15 . LMG CI . ? 1.2098 0.9528 0.9525 -0.0136 -0.0387 -0.0292 412 LMG d C15 +59697 C C16 . LMG CI . ? 1.0310 0.7818 0.7775 -0.0112 -0.0383 -0.0276 412 LMG d C16 +59698 C C17 . LMG CI . ? 1.4458 1.2035 1.1991 -0.0147 -0.0403 -0.0277 412 LMG d C17 +59699 C C18 . LMG CI . ? 1.4227 1.1885 1.1806 -0.0130 -0.0400 -0.0260 412 LMG d C18 +59700 C C19 . LMG CI . ? 1.3498 1.1222 1.1156 -0.0165 -0.0411 -0.0256 412 LMG d C19 +59701 C C20 . LMG CI . ? 1.3925 1.1728 1.1630 -0.0155 -0.0415 -0.0242 412 LMG d C20 +59702 C C21 . LMG CI . ? 1.3942 1.1794 1.1705 -0.0193 -0.0438 -0.0250 412 LMG d C21 +59703 C C22 . LMG CI . ? 1.7218 1.5025 1.4945 -0.0217 -0.0465 -0.0279 412 LMG d C22 +59704 C C23 . LMG CI . ? 2.1240 1.9032 1.8914 -0.0195 -0.0479 -0.0289 412 LMG d C23 +59705 C C24 . LMG CI . ? 1.9020 1.6758 1.6648 -0.0217 -0.0505 -0.0318 412 LMG d C24 +59706 C C25 . LMG CI . ? 1.6318 1.4040 1.3892 -0.0195 -0.0521 -0.0329 412 LMG d C25 +59707 O O8 . LMG CI . ? 1.0078 0.7282 0.7420 -0.0250 -0.0410 -0.0349 412 LMG d O8 +59708 C C28 . LMG CI . ? 1.1813 0.9083 0.9203 -0.0275 -0.0434 -0.0358 412 LMG d C28 +59709 O O10 . LMG CI . ? 0.9789 0.7035 0.7172 -0.0312 -0.0454 -0.0381 412 LMG d O10 +59710 C C29 . LMG CI . ? 1.0801 0.8165 0.8246 -0.0255 -0.0433 -0.0341 412 LMG d C29 +59711 C C30 . LMG CI . ? 1.0419 0.7850 0.7924 -0.0290 -0.0459 -0.0351 412 LMG d C30 +59712 C C31 . LMG CI . ? 1.1960 0.9486 0.9536 -0.0278 -0.0453 -0.0328 412 LMG d C31 +59713 C C32 . LMG CI . ? 1.1832 0.9411 0.9423 -0.0274 -0.0475 -0.0335 412 LMG d C32 +59714 C C33 . LMG CI . ? 1.1762 0.9355 0.9381 -0.0319 -0.0505 -0.0358 412 LMG d C33 +59715 C C34 . LMG CI . ? 1.1365 0.9009 0.8995 -0.0310 -0.0528 -0.0364 412 LMG d C34 +59716 C C35 . LMG CI . ? 1.3892 1.1565 1.1558 -0.0352 -0.0560 -0.0386 412 LMG d C35 +59717 C C36 . LMG CI . ? 1.6906 1.4624 1.4574 -0.0338 -0.0584 -0.0392 412 LMG d C36 +59718 C C37 . LMG CI . ? 1.6170 1.3897 1.3851 -0.0374 -0.0620 -0.0421 412 LMG d C37 +59719 C C38 . LMG CI . ? 1.2713 1.0364 1.0312 -0.0371 -0.0637 -0.0445 412 LMG d C38 +59720 C C39 . LMG CI . ? 1.5171 1.2805 1.2709 -0.0325 -0.0636 -0.0439 412 LMG d C39 +59721 C C40 . LMG CI . ? 1.4305 1.1877 1.1768 -0.0324 -0.0660 -0.0466 412 LMG d C40 +59722 C C41 . LMG CI . ? 1.7614 1.5234 1.5103 -0.0341 -0.0700 -0.0485 412 LMG d C41 +59723 C C42 . LMG CI . ? 1.5129 1.2689 1.2538 -0.0334 -0.0726 -0.0511 412 LMG d C42 +59724 C C43 . LMG CI . ? 1.3607 1.1218 1.1024 -0.0325 -0.0757 -0.0518 412 LMG d C43 +59725 C C1 . GOL DI . ? 0.9804 0.7692 0.7966 -0.0227 -0.0110 0.0101 413 GOL d C1 +59726 O O1 . GOL DI . ? 0.8362 0.6322 0.6590 -0.0255 -0.0111 0.0098 413 GOL d O1 +59727 C C2 . GOL DI . ? 1.0851 0.8769 0.9018 -0.0181 -0.0116 0.0113 413 GOL d C2 +59728 O O2 . GOL DI . ? 1.0914 0.8792 0.9037 -0.0146 -0.0120 0.0112 413 GOL d O2 +59729 C C3 . GOL DI . ? 1.2970 1.0864 1.1119 -0.0180 -0.0108 0.0125 413 GOL d C3 +59730 O O3 . GOL DI . ? 1.0951 0.8906 0.9134 -0.0150 -0.0115 0.0134 413 GOL d O3 +59731 O O1 A LHG EI . ? 1.0808 0.9756 0.9395 -0.0046 -0.0482 0.0070 414 LHG d O1 +59732 O O1 B LHG EI . ? 1.1115 1.0065 0.9704 -0.0044 -0.0480 0.0073 414 LHG d O1 +59733 C C1 A LHG EI . ? 0.9892 0.8870 0.8512 -0.0050 -0.0512 0.0055 414 LHG d C1 +59734 C C1 B LHG EI . ? 0.9916 0.8893 0.8535 -0.0049 -0.0512 0.0056 414 LHG d C1 +59735 C C2 A LHG EI . ? 1.0389 0.9339 0.8953 -0.0031 -0.0536 0.0048 414 LHG d C2 +59736 C C2 B LHG EI . ? 1.0418 0.9369 0.8983 -0.0031 -0.0538 0.0048 414 LHG d C2 +59737 O O2 A LHG EI . ? 1.1115 1.0032 0.9636 -0.0032 -0.0530 0.0042 414 LHG d O2 +59738 O O2 B LHG EI . ? 1.1331 1.0250 0.9854 -0.0032 -0.0535 0.0040 414 LHG d O2 +59739 C C3 A LHG EI . ? 1.0570 0.9548 0.9160 -0.0032 -0.0573 0.0029 414 LHG d C3 +59740 C C3 B LHG EI . ? 1.0597 0.9580 0.9193 -0.0033 -0.0573 0.0029 414 LHG d C3 +59741 O O3 A LHG EI . ? 0.8624 0.7637 0.7272 -0.0056 -0.0577 0.0015 414 LHG d O3 +59742 O O3 B LHG EI . ? 0.8620 0.7635 0.7270 -0.0056 -0.0577 0.0014 414 LHG d O3 +59743 P P A LHG EI . ? 0.8294 0.7338 0.6974 -0.0064 -0.0613 -0.0011 414 LHG d P +59744 P P B LHG EI . ? 0.8265 0.7312 0.6948 -0.0065 -0.0613 -0.0011 414 LHG d P +59745 O O4 A LHG EI . ? 0.8853 0.7865 0.7477 -0.0057 -0.0633 -0.0025 414 LHG d O4 +59746 O O4 B LHG EI . ? 0.8813 0.7829 0.7442 -0.0057 -0.0635 -0.0025 414 LHG d O4 +59747 O O5 A LHG EI . ? 0.7960 0.7043 0.6682 -0.0059 -0.0630 -0.0013 414 LHG d O5 +59748 O O5 B LHG EI . ? 0.7976 0.7061 0.6700 -0.0058 -0.0629 -0.0011 414 LHG d O5 +59749 O O6 A LHG EI . ? 0.9007 0.8070 0.7735 -0.0093 -0.0597 -0.0019 414 LHG d O6 +59750 O O6 B LHG EI . ? 0.9017 0.8083 0.7748 -0.0094 -0.0598 -0.0019 414 LHG d O6 +59751 C C4 A LHG EI . ? 0.8429 0.7526 0.7215 -0.0106 -0.0580 -0.0012 414 LHG d C4 +59752 C C4 B LHG EI . ? 0.8426 0.7527 0.7217 -0.0108 -0.0581 -0.0013 414 LHG d C4 +59753 C C5 A LHG EI . ? 0.8751 0.7838 0.7547 -0.0125 -0.0553 -0.0008 414 LHG d C5 +59754 C C5 B LHG EI . ? 0.8752 0.7840 0.7549 -0.0125 -0.0553 -0.0009 414 LHG d C5 +59755 C C6 A LHG EI . ? 0.8529 0.7609 0.7322 -0.0141 -0.0565 -0.0029 414 LHG d C6 +59756 C C6 B LHG EI . ? 0.8560 0.7635 0.7346 -0.0139 -0.0564 -0.0028 414 LHG d C6 +59757 O O7 A LHG EI . ? 0.8913 0.8036 0.7770 -0.0139 -0.0541 -0.0005 414 LHG d O7 +59758 O O7 B LHG EI . ? 0.8941 0.8064 0.7799 -0.0141 -0.0541 -0.0006 414 LHG d O7 +59759 C C7 A LHG EI . ? 0.9126 0.8244 0.7983 -0.0133 -0.0514 0.0017 414 LHG d C7 +59760 C C7 B LHG EI . ? 0.9135 0.8257 0.7997 -0.0134 -0.0515 0.0016 414 LHG d C7 +59761 O O9 A LHG EI . ? 0.9995 0.9080 0.8806 -0.0120 -0.0501 0.0029 414 LHG d O9 +59762 O O9 B LHG EI . ? 1.0063 0.9152 0.8878 -0.0119 -0.0503 0.0029 414 LHG d O9 +59763 C C8 A LHG EI . ? 0.9408 0.8562 0.8323 -0.0144 -0.0502 0.0023 414 LHG d C8 +59764 C C8 B LHG EI . ? 0.9428 0.8586 0.8349 -0.0146 -0.0503 0.0021 414 LHG d C8 +59765 C C9 A LHG EI . ? 0.9121 0.8264 0.8036 -0.0145 -0.0471 0.0041 414 LHG d C9 +59766 C C9 B LHG EI . ? 0.9128 0.8273 0.8045 -0.0146 -0.0472 0.0040 414 LHG d C9 +59767 C C10 A LHG EI . ? 0.8905 0.8035 0.7820 -0.0161 -0.0456 0.0037 414 LHG d C10 +59768 C C10 B LHG EI . ? 0.8900 0.8031 0.7817 -0.0162 -0.0456 0.0036 414 LHG d C10 +59769 O O8 A LHG EI . ? 0.8909 0.7979 0.7712 -0.0157 -0.0540 -0.0025 414 LHG d O8 +59770 O O8 B LHG EI . ? 0.8901 0.7969 0.7703 -0.0157 -0.0540 -0.0025 414 LHG d O8 +59771 C C23 A LHG EI . ? 0.8434 0.7473 0.7209 -0.0167 -0.0540 -0.0037 414 LHG d C23 +59772 C C23 B LHG EI . ? 0.8435 0.7474 0.7210 -0.0168 -0.0541 -0.0038 414 LHG d C23 +59773 O O10 A LHG EI . ? 0.9406 0.8438 0.8161 -0.0166 -0.0565 -0.0054 414 LHG d O10 +59774 O O10 B LHG EI . ? 0.9444 0.8475 0.8198 -0.0166 -0.0566 -0.0054 414 LHG d O10 +59775 C C24 A LHG EI . ? 0.9166 0.8184 0.7937 -0.0178 -0.0513 -0.0031 414 LHG d C24 +59776 C C24 B LHG EI . ? 0.9170 0.8189 0.7943 -0.0179 -0.0514 -0.0032 414 LHG d C24 +59777 C C11 A LHG EI . ? 0.8387 0.7519 0.7317 -0.0164 -0.0427 0.0053 414 LHG d C11 +59778 C C11 B LHG EI . ? 0.8373 0.7505 0.7304 -0.0165 -0.0428 0.0053 414 LHG d C11 +59779 C C12 A LHG EI . ? 0.9943 0.9068 0.8884 -0.0181 -0.0414 0.0049 414 LHG d C12 +59780 C C12 B LHG EI . ? 0.9956 0.9083 0.8900 -0.0182 -0.0415 0.0048 414 LHG d C12 +59781 C C13 A LHG EI . ? 1.0802 0.9931 0.9759 -0.0182 -0.0388 0.0065 414 LHG d C13 +59782 C C13 B LHG EI . ? 1.0852 0.9983 0.9812 -0.0184 -0.0389 0.0064 414 LHG d C13 +59783 C C14 A LHG EI . ? 0.9948 0.9114 0.8956 -0.0190 -0.0387 0.0068 414 LHG d C14 +59784 C C14 B LHG EI . ? 0.9951 0.9118 0.8961 -0.0191 -0.0387 0.0067 414 LHG d C14 +59785 C C15 A LHG EI . ? 1.0827 0.9995 0.9849 -0.0192 -0.0362 0.0082 414 LHG d C15 +59786 C C15 B LHG EI . ? 1.0857 1.0025 0.9881 -0.0194 -0.0363 0.0081 414 LHG d C15 +59787 C C16 A LHG EI . ? 1.0576 0.9773 0.9647 -0.0207 -0.0358 0.0081 414 LHG d C16 +59788 C C16 B LHG EI . ? 1.0592 0.9790 0.9665 -0.0208 -0.0359 0.0079 414 LHG d C16 +59789 C C17 A LHG EI . ? 0.9329 0.8523 0.8407 -0.0208 -0.0335 0.0094 414 LHG d C17 +59790 C C17 B LHG EI . ? 0.9302 0.8498 0.8382 -0.0210 -0.0336 0.0092 414 LHG d C17 +59791 C C18 A LHG EI . ? 1.0796 1.0012 0.9915 -0.0223 -0.0329 0.0092 414 LHG d C18 +59792 C C18 B LHG EI . ? 1.0828 1.0047 0.9951 -0.0225 -0.0330 0.0090 414 LHG d C18 +59793 C C19 A LHG EI . ? 1.0686 0.9922 0.9828 -0.0219 -0.0321 0.0104 414 LHG d C19 +59794 C C19 B LHG EI . ? 1.0684 0.9920 0.9827 -0.0220 -0.0322 0.0103 414 LHG d C19 +59795 C C20 A LHG EI . ? 1.2067 1.1317 1.1241 -0.0232 -0.0309 0.0105 414 LHG d C20 +59796 C C20 B LHG EI . ? 1.2086 1.1336 1.1261 -0.0232 -0.0309 0.0104 414 LHG d C20 +59797 C C21 A LHG EI . ? 1.1475 1.0749 1.0678 -0.0231 -0.0308 0.0110 414 LHG d C21 +59798 C C21 B LHG EI . ? 1.1483 1.0758 1.0687 -0.0230 -0.0307 0.0111 414 LHG d C21 +59799 C C22 A LHG EI . ? 1.2391 1.1675 1.1618 -0.0240 -0.0293 0.0115 414 LHG d C22 +59800 C C22 B LHG EI . ? 1.2409 1.1692 1.1636 -0.0240 -0.0293 0.0115 414 LHG d C22 +59801 C C25 A LHG EI . ? 0.9495 0.8547 0.8328 -0.0197 -0.0500 -0.0028 414 LHG d C25 +59802 C C25 B LHG EI . ? 0.9498 0.8551 0.8331 -0.0196 -0.0499 -0.0027 414 LHG d C25 +59803 C C26 A LHG EI . ? 1.0104 0.9139 0.8940 -0.0212 -0.0479 -0.0028 414 LHG d C26 +59804 C C26 B LHG EI . ? 1.0128 0.9163 0.8965 -0.0212 -0.0478 -0.0027 414 LHG d C26 +59805 C C27 A LHG EI . ? 0.9958 0.9026 0.8852 -0.0238 -0.0481 -0.0037 414 LHG d C27 +59806 C C27 B LHG EI . ? 0.9970 0.9038 0.8865 -0.0237 -0.0480 -0.0037 414 LHG d C27 +59807 C C28 A LHG EI . ? 0.9402 0.8467 0.8317 -0.0249 -0.0454 -0.0027 414 LHG d C28 +59808 C C28 B LHG EI . ? 0.9433 0.8500 0.8349 -0.0248 -0.0453 -0.0026 414 LHG d C28 +59809 C C29 A LHG EI . ? 0.9392 0.8495 0.8366 -0.0272 -0.0456 -0.0035 414 LHG d C29 +59810 C C29 B LHG EI . ? 0.9397 0.8500 0.8371 -0.0271 -0.0455 -0.0034 414 LHG d C29 +59811 C C30 A LHG EI . ? 0.9266 0.8384 0.8270 -0.0276 -0.0432 -0.0020 414 LHG d C30 +59812 C C30 B LHG EI . ? 0.9265 0.8383 0.8269 -0.0276 -0.0431 -0.0019 414 LHG d C30 +59813 C C31 A LHG EI . ? 0.9775 0.8911 0.8788 -0.0257 -0.0425 -0.0002 414 LHG d C31 +59814 C C31 B LHG EI . ? 0.9774 0.8911 0.8787 -0.0256 -0.0424 -0.0002 414 LHG d C31 +59815 C C32 A LHG EI . ? 1.0276 0.9460 0.9341 -0.0262 -0.0432 -0.0004 414 LHG d C32 +59816 C C32 B LHG EI . ? 1.0338 0.9521 0.9400 -0.0260 -0.0434 -0.0004 414 LHG d C32 +59817 C C33 A LHG EI . ? 1.0088 0.9282 0.9148 -0.0240 -0.0431 0.0011 414 LHG d C33 +59818 C C33 B LHG EI . ? 1.0092 0.9286 0.9152 -0.0239 -0.0431 0.0012 414 LHG d C33 +59819 C C34 A LHG EI . ? 0.9436 0.8671 0.8535 -0.0237 -0.0447 0.0007 414 LHG d C34 +59820 C C34 B LHG EI . ? 0.9435 0.8668 0.8532 -0.0236 -0.0446 0.0008 414 LHG d C34 +59821 C C35 A LHG EI . ? 0.9166 0.8399 0.8241 -0.0220 -0.0471 0.0001 414 LHG d C35 +59822 C C35 B LHG EI . ? 0.9168 0.8399 0.8240 -0.0220 -0.0470 0.0002 414 LHG d C35 +59823 C C36 A LHG EI . ? 0.8380 0.7636 0.7469 -0.0204 -0.0477 0.0010 414 LHG d C36 +59824 C C36 B LHG EI . ? 0.8372 0.7627 0.7460 -0.0203 -0.0477 0.0011 414 LHG d C36 +59825 C C37 A LHG EI . ? 0.8280 0.7551 0.7368 -0.0193 -0.0507 -0.0002 414 LHG d C37 +59826 C C37 B LHG EI . ? 0.8283 0.7554 0.7371 -0.0194 -0.0507 -0.0003 414 LHG d C37 +59827 C C38 A LHG EI . ? 0.7098 0.6384 0.6192 -0.0174 -0.0514 0.0007 414 LHG d C38 +59828 C C38 B LHG EI . ? 0.7102 0.6389 0.6197 -0.0175 -0.0515 0.0006 414 LHG d C38 +59829 C C1B . LMT FI . ? 2.6914 2.2498 2.3224 -0.0504 -0.0388 -0.0585 101 LMT e C1B +59830 C C2B . LMT FI . ? 2.6713 2.2191 2.2960 -0.0490 -0.0360 -0.0570 101 LMT e C2B +59831 C C3B . LMT FI . ? 2.7990 2.3533 2.4297 -0.0473 -0.0338 -0.0535 101 LMT e C3B +59832 C C4B . LMT FI . ? 2.7279 2.2939 2.3698 -0.0523 -0.0345 -0.0530 101 LMT e C4B +59833 C C5B . LMT FI . ? 2.4924 2.0678 2.1391 -0.0525 -0.0372 -0.0546 101 LMT e C5B +59834 C C6B . LMT FI . ? 2.1723 1.7595 1.8301 -0.0570 -0.0380 -0.0542 101 LMT e C6B +59835 O O1B . LMT FI . ? 2.5793 2.1427 2.2100 -0.0443 -0.0389 -0.0575 101 LMT e O1B +59836 O O2B . LMT FI . ? 2.6085 2.1482 2.2242 -0.0436 -0.0355 -0.0572 101 LMT e O2B +59837 O O3B . LMT FI . ? 2.7904 2.3349 2.4156 -0.0469 -0.0317 -0.0524 101 LMT e O3B +59838 O "O4'" . LMT FI . ? 2.0200 1.5928 1.6674 -0.0500 -0.0327 -0.0499 101 LMT e "O4'" +59839 O O5B . LMT FI . ? 2.7652 2.3341 2.4064 -0.0547 -0.0392 -0.0578 101 LMT e O5B +59840 O O6B . LMT FI . ? 2.0560 1.6481 1.7166 -0.0594 -0.0408 -0.0565 101 LMT e O6B +59841 C "C1'" . LMT FI . ? 2.2180 1.7866 1.8405 -0.0329 -0.0425 -0.0603 101 LMT e "C1'" +59842 C "C2'" . LMT FI . ? 2.2793 1.8358 1.8939 -0.0309 -0.0402 -0.0598 101 LMT e "C2'" +59843 C "C3'" . LMT FI . ? 2.3161 1.8731 1.9354 -0.0344 -0.0387 -0.0580 101 LMT e "C3'" +59844 C "C4'" . LMT FI . ? 2.3782 1.9375 2.0026 -0.0421 -0.0405 -0.0597 101 LMT e "C4'" +59845 C "C5'" . LMT FI . ? 2.3128 1.8836 1.9440 -0.0432 -0.0430 -0.0607 101 LMT e "C5'" +59846 C "C6'" . LMT FI . ? 2.2546 1.8286 1.8911 -0.0503 -0.0452 -0.0627 101 LMT e "C6'" +59847 O "O1'" . LMT FI . ? 2.2550 1.8232 1.8733 -0.0300 -0.0439 -0.0619 101 LMT e "O1'" +59848 O "O2'" . LMT FI . ? 2.0132 1.5697 1.6249 -0.0242 -0.0383 -0.0580 101 LMT e "O2'" +59849 O "O3'" . LMT FI . ? 2.4863 2.0319 2.0981 -0.0330 -0.0368 -0.0576 101 LMT e "O3'" +59850 O "O5'" . LMT FI . ? 2.3663 1.9346 1.9917 -0.0398 -0.0444 -0.0623 101 LMT e "O5'" +59851 O "O6'" . LMT FI . ? 1.8013 1.3886 1.4474 -0.0507 -0.0460 -0.0615 101 LMT e "O6'" +59852 C C1 . LMT FI . ? 1.9826 1.5615 1.6059 -0.0263 -0.0439 -0.0603 101 LMT e C1 +59853 C C2 . LMT FI . ? 1.9598 1.5403 1.5815 -0.0272 -0.0467 -0.0628 101 LMT e C2 +59854 C C3 . LMT FI . ? 1.8156 1.4029 1.4380 -0.0222 -0.0467 -0.0620 101 LMT e C3 +59855 C C4 . LMT FI . ? 1.9126 1.5126 1.5448 -0.0246 -0.0483 -0.0613 101 LMT e C4 +59856 C C5 . LMT FI . ? 1.8837 1.4882 1.5148 -0.0217 -0.0497 -0.0619 101 LMT e C5 +59857 C C6 . LMT FI . ? 1.8395 1.4569 1.4796 -0.0208 -0.0496 -0.0597 101 LMT e C6 +59858 C C7 . LMT FI . ? 1.7219 1.3452 1.3653 -0.0238 -0.0529 -0.0615 101 LMT e C7 +59859 C C8 . LMT FI . ? 1.7342 1.3630 1.3772 -0.0194 -0.0530 -0.0607 101 LMT e C8 +59860 C C9 . LMT FI . ? 2.0011 1.6386 1.6498 -0.0218 -0.0558 -0.0614 101 LMT e C9 +59861 C C10 . LMT FI . ? 1.8257 1.4672 1.4725 -0.0170 -0.0556 -0.0605 101 LMT e C10 +59862 C C11 . LMT FI . ? 1.6375 1.2880 1.2900 -0.0187 -0.0582 -0.0608 101 LMT e C11 +59863 C C12 . LMT FI . ? 1.7094 1.3582 1.3620 -0.0238 -0.0619 -0.0639 101 LMT e C12 +59864 C CHA . HEM GI . ? 1.1541 0.8965 0.8646 -0.0419 -0.1088 -0.0781 101 HEM f CHA +59865 C CHB . HEM GI . ? 1.2180 0.9490 0.9335 -0.0590 -0.1111 -0.0870 101 HEM f CHB +59866 C CHC . HEM GI . ? 1.0434 0.7664 0.7601 -0.0551 -0.0944 -0.0765 101 HEM f CHC +59867 C CHD . HEM GI . ? 0.9676 0.7013 0.6783 -0.0382 -0.0922 -0.0687 101 HEM f CHD +59868 C C1A . HEM GI . ? 1.2298 0.9698 0.9414 -0.0466 -0.1110 -0.0814 101 HEM f C1A +59869 C C2A . HEM GI . ? 1.4519 1.1925 1.1626 -0.0486 -0.1161 -0.0850 101 HEM f C2A +59870 C C3A . HEM GI . ? 1.5046 1.2424 1.2171 -0.0535 -0.1168 -0.0876 101 HEM f C3A +59871 C C4A . HEM GI . ? 1.2822 1.0171 0.9962 -0.0545 -0.1121 -0.0855 101 HEM f C4A +59872 C CMA . HEM GI . ? 1.2842 1.0219 0.9969 -0.0573 -0.1217 -0.0920 101 HEM f CMA +59873 C CAA . HEM GI . ? 1.5188 1.2628 1.2272 -0.0459 -0.1201 -0.0859 101 HEM f CAA +59874 C CBA . HEM GI . ? 1.8146 1.5500 1.5115 -0.0440 -0.1223 -0.0883 101 HEM f CBA +59875 C CGA . HEM GI . ? 1.9056 1.6345 1.5935 -0.0389 -0.1188 -0.0857 101 HEM f CGA +59876 O O1A . HEM GI . ? 1.6464 1.3715 1.3335 -0.0386 -0.1143 -0.0837 101 HEM f O1A +59877 O O2A . HEM GI . ? 1.7714 1.4988 1.4526 -0.0350 -0.1203 -0.0856 101 HEM f O2A +59878 C C1B . HEM GI . ? 1.2160 0.9443 0.9329 -0.0596 -0.1065 -0.0847 101 HEM f C1B +59879 C C2B . HEM GI . ? 1.1942 0.9198 0.9141 -0.0646 -0.1055 -0.0860 101 HEM f C2B +59880 C C3B . HEM GI . ? 1.1109 0.8339 0.8308 -0.0635 -0.1008 -0.0830 101 HEM f C3B +59881 C C4B . HEM GI . ? 1.2046 0.9291 0.9217 -0.0577 -0.0989 -0.0799 101 HEM f C4B +59882 C CMB . HEM GI . ? 1.1843 0.9099 0.9068 -0.0702 -0.1090 -0.0900 101 HEM f CMB +59883 C CAB . HEM GI . ? 1.1901 0.9092 0.9120 -0.0672 -0.0979 -0.0829 101 HEM f CAB +59884 C CBB . HEM GI . ? 1.3211 1.0451 1.0514 -0.0723 -0.0984 -0.0838 101 HEM f CBB +59885 C C1C . HEM GI . ? 0.9738 0.6990 0.6889 -0.0499 -0.0925 -0.0736 101 HEM f C1C +59886 C C2C . HEM GI . ? 1.2447 0.9679 0.9585 -0.0470 -0.0881 -0.0704 101 HEM f C2C +59887 C C3C . HEM GI . ? 1.0339 0.7604 0.7463 -0.0423 -0.0875 -0.0682 101 HEM f C3C +59888 C C4C . HEM GI . ? 0.9764 0.7066 0.6888 -0.0423 -0.0916 -0.0701 101 HEM f C4C +59889 C CMC . HEM GI . ? 1.0447 0.7629 0.7587 -0.0487 -0.0846 -0.0694 101 HEM f CMC +59890 C CAC . HEM GI . ? 1.1266 0.8527 0.8378 -0.0382 -0.0833 -0.0647 101 HEM f CAC +59891 C CBC . HEM GI . ? 1.2883 1.0109 0.9922 -0.0335 -0.0823 -0.0638 101 HEM f CBC +59892 C C1D . HEM GI . ? 1.0982 0.8357 0.8092 -0.0383 -0.0965 -0.0706 101 HEM f C1D +59893 C C2D . HEM GI . ? 1.2756 1.0189 0.9876 -0.0348 -0.0971 -0.0687 101 HEM f C2D +59894 C C3D . HEM GI . ? 1.2046 0.9500 0.9163 -0.0357 -0.1017 -0.0713 101 HEM f C3D +59895 C C4D . HEM GI . ? 1.2378 0.9792 0.9488 -0.0400 -0.1039 -0.0747 101 HEM f C4D +59896 C CMD . HEM GI . ? 1.1191 0.8653 0.8321 -0.0309 -0.0934 -0.0649 101 HEM f CMD +59897 C CAD . HEM GI . ? 1.3083 1.0592 1.0204 -0.0329 -0.1040 -0.0706 101 HEM f CAD +59898 C CBD . HEM GI . ? 1.1053 0.8661 0.8286 -0.0359 -0.1057 -0.0706 101 HEM f CBD +59899 C CGD . HEM GI . ? 1.4489 1.2171 1.1755 -0.0340 -0.1083 -0.0701 101 HEM f CGD +59900 O O1D . HEM GI . ? 1.3014 1.0772 1.0362 -0.0343 -0.1073 -0.0681 101 HEM f O1D +59901 O O2D . HEM GI . ? 1.2483 1.0148 0.9692 -0.0321 -0.1116 -0.0716 101 HEM f O2D +59902 N NA . HEM GI . ? 1.4998 1.2359 1.2129 -0.0500 -0.1086 -0.0817 101 HEM f NA +59903 N NB . HEM GI . ? 0.9971 0.7247 0.7125 -0.0557 -0.1024 -0.0810 101 HEM f NB +59904 N NC . HEM GI . ? 1.1729 0.9020 0.8867 -0.0468 -0.0947 -0.0734 101 HEM f NC +59905 N ND . HEM GI . ? 1.0588 0.7955 0.7695 -0.0415 -0.1006 -0.0741 101 HEM f ND +59906 FE FE . HEM GI . ? 1.1422 0.8755 0.8561 -0.0484 -0.1017 -0.0774 101 HEM f FE +59907 O O6 . SQD HI . ? 2.1210 1.9624 1.9171 -0.0549 -0.1463 -0.0908 102 SQD f O6 +59908 C C44 . SQD HI . ? 1.8015 1.6489 1.6070 -0.0567 -0.1427 -0.0887 102 SQD f C44 +59909 C C45 . SQD HI . ? 1.9564 1.8003 1.7640 -0.0615 -0.1395 -0.0893 102 SQD f C45 +59910 C C46 . SQD HI . ? 1.5442 1.3846 1.3503 -0.0600 -0.1336 -0.0851 102 SQD f C46 +59911 O O47 . SQD HI . ? 2.2604 2.0961 2.0601 -0.0629 -0.1410 -0.0919 102 SQD f O47 +59912 C C7 . SQD HI . ? 2.1275 1.9621 1.9310 -0.0688 -0.1407 -0.0945 102 SQD f C7 +59913 O O49 . SQD HI . ? 2.0050 1.8336 1.8027 -0.0703 -0.1429 -0.0973 102 SQD f O49 +59914 C C8 . SQD HI . ? 2.0576 1.8978 1.8716 -0.0729 -0.1376 -0.0938 102 SQD f C8 +59915 C C9 . SQD HI . ? 1.9297 1.7690 1.7470 -0.0791 -0.1386 -0.0974 102 SQD f C9 +59916 C C10 . SQD HI . ? 1.9623 1.8032 1.7865 -0.0829 -0.1340 -0.0959 102 SQD f C10 +59917 C C11 . SQD HI . ? 1.6342 1.4784 1.4655 -0.0893 -0.1354 -0.0995 102 SQD f C11 +59918 O O48 . SQD HI . ? 1.6645 1.5106 1.4805 -0.0635 -0.1311 -0.0845 102 SQD f O48 +59919 C C23 . SQD HI . ? 1.8361 1.6775 1.6514 -0.0648 -0.1257 -0.0822 102 SQD f C23 +59920 O O10 . SQD HI . ? 1.8101 1.6431 1.6166 -0.0627 -0.1236 -0.0808 102 SQD f O10 +59921 C C24 . SQD HI . ? 1.6062 1.4531 1.4314 -0.0687 -0.1229 -0.0815 102 SQD f C24 +59922 C C25 . SQD HI . ? 1.5806 1.4231 1.4037 -0.0675 -0.1173 -0.0777 102 SQD f C25 +59923 C C26 . SQD HI . ? 1.6940 1.5384 1.5242 -0.0722 -0.1143 -0.0777 102 SQD f C26 +59924 C C27 . SQD HI . ? 1.6991 1.5545 1.5406 -0.0741 -0.1153 -0.0781 102 SQD f C27 +59925 C C28 . SQD HI . ? 1.9085 1.7663 1.7564 -0.0802 -0.1161 -0.0812 102 SQD f C28 +59926 C C29 . SQD HI . ? 1.8181 1.6731 1.6682 -0.0834 -0.1112 -0.0797 102 SQD f C29 +59927 C C30 . SQD HI . ? 1.5301 1.3883 1.3873 -0.0896 -0.1118 -0.0827 102 SQD f C30 +59928 C C31 . SQD HI . ? 1.6801 1.5379 1.5414 -0.0924 -0.1069 -0.0808 102 SQD f C31 +59929 C C32 . SQD HI . ? 1.6671 1.5269 1.5346 -0.0988 -0.1070 -0.0836 102 SQD f C32 +59930 C C33 . SQD HI . ? 1.5119 1.3725 1.3842 -0.1013 -0.1022 -0.0815 102 SQD f C33 +59931 C C34 . SQD HI . ? 1.5381 1.3886 1.4023 -0.0998 -0.0980 -0.0787 102 SQD f C34 +59932 C C35 . SQD HI . ? 1.4766 1.3204 1.3391 -0.1050 -0.0961 -0.0802 102 SQD f C35 +59933 C C36 . SQD HI . ? 1.7422 1.5770 1.5981 -0.1036 -0.0915 -0.0771 102 SQD f C36 +59934 C C37 . SQD HI . ? 1.7144 1.5424 1.5605 -0.0982 -0.0918 -0.0756 102 SQD f C37 +59935 C C38 . SQD HI . ? 1.5798 1.3977 1.4186 -0.0976 -0.0878 -0.0734 102 SQD f C38 +59936 C C1 . SQD HI . ? 2.2199 2.0625 2.0119 -0.0497 -0.1483 -0.0894 102 SQD f C1 +59937 C C2 . SQD HI . ? 2.3950 2.2312 2.1767 -0.0476 -0.1522 -0.0917 102 SQD f C2 +59938 O O2 . SQD HI . ? 2.4195 2.2610 2.2055 -0.0499 -0.1578 -0.0958 102 SQD f O2 +59939 C C3 . SQD HI . ? 2.4169 2.2511 2.1913 -0.0416 -0.1525 -0.0892 102 SQD f C3 +59940 O O3 . SQD HI . ? 2.0629 1.8914 1.8277 -0.0396 -0.1563 -0.0914 102 SQD f O3 +59941 C C4 . SQD HI . ? 2.3187 2.1474 2.0891 -0.0397 -0.1464 -0.0852 102 SQD f C4 +59942 O O4 . SQD HI . ? 2.6073 2.4325 2.3694 -0.0343 -0.1461 -0.0829 102 SQD f O4 +59943 C C5 . SQD HI . ? 2.0887 1.9242 1.8692 -0.0412 -0.1428 -0.0827 102 SQD f C5 +59944 C C6 . SQD HI . ? 2.1097 1.9397 1.8869 -0.0401 -0.1368 -0.0792 102 SQD f C6 +59945 O O5 . SQD HI . ? 2.1749 2.0157 1.9650 -0.0465 -0.1434 -0.0850 102 SQD f O5 +59946 S S . SQD HI . ? 1.8805 1.7175 1.6686 -0.0422 -0.1330 -0.0768 102 SQD f S +59947 O O7 . SQD HI . ? 1.4662 1.3046 1.2607 -0.0477 -0.1326 -0.0790 102 SQD f O7 +59948 O O8 . SQD HI . ? 1.2681 1.1141 1.0631 -0.0407 -0.1352 -0.0762 102 SQD f O8 +59949 O O9 . SQD HI . ? 1.4497 1.2819 1.2338 -0.0398 -0.1277 -0.0730 102 SQD f O9 +59950 CA CA . CA II . ? 1.8054 1.3433 1.4311 -0.0326 -0.0178 -0.0345 103 CA f CA +59951 C C1 . BCR JI . ? 0.7882 0.7902 0.7882 -0.0737 -0.0795 -0.0534 101 BCR h C1 +59952 C C2 . BCR JI . ? 0.8235 0.8247 0.8190 -0.0687 -0.0831 -0.0527 101 BCR h C2 +59953 C C3 . BCR JI . ? 0.8106 0.8136 0.8063 -0.0692 -0.0877 -0.0558 101 BCR h C3 +59954 C C4 . BCR JI . ? 0.7209 0.7340 0.7266 -0.0709 -0.0895 -0.0588 101 BCR h C4 +59955 C C5 . BCR JI . ? 0.7461 0.7621 0.7580 -0.0755 -0.0856 -0.0593 101 BCR h C5 +59956 C C6 . BCR JI . ? 0.6993 0.7102 0.7085 -0.0768 -0.0811 -0.0568 101 BCR h C6 +59957 C C7 . BCR JI . ? 0.7247 0.7379 0.7395 -0.0812 -0.0773 -0.0573 101 BCR h C7 +59958 C C8 . BCR JI . ? 0.7022 0.7166 0.7205 -0.0862 -0.0768 -0.0597 101 BCR h C8 +59959 C C9 . BCR JI . ? 0.9088 0.9252 0.9321 -0.0904 -0.0726 -0.0598 101 BCR h C9 +59960 C C10 . BCR JI . ? 0.7057 0.7220 0.7313 -0.0955 -0.0722 -0.0622 101 BCR h C10 +59961 C C11 . BCR JI . ? 0.8114 0.8290 0.8416 -0.1003 -0.0680 -0.0626 101 BCR h C11 +59962 C C33 . BCR JI . ? 0.7578 0.7830 0.7793 -0.0786 -0.0872 -0.0629 101 BCR h C33 +59963 C C31 . BCR JI . ? 0.7813 0.7749 0.7749 -0.0765 -0.0781 -0.0532 101 BCR h C31 +59964 C C32 . BCR JI . ? 0.8235 0.8258 0.8249 -0.0730 -0.0755 -0.0507 101 BCR h C32 +59965 C C34 . BCR JI . ? 0.6987 0.7168 0.7243 -0.0891 -0.0690 -0.0574 101 BCR h C34 +59966 C C12 . BCR JI . ? 0.7777 0.7913 0.8065 -0.1050 -0.0671 -0.0641 101 BCR h C12 +59967 C C13 . BCR JI . ? 0.9867 1.0005 1.0192 -0.1102 -0.0629 -0.0646 101 BCR h C13 +59968 C C14 . BCR JI . ? 0.8250 0.8341 0.8555 -0.1148 -0.0624 -0.0662 101 BCR h C14 +59969 C C15 . BCR JI . ? 0.8663 0.8739 0.8990 -0.1206 -0.0585 -0.0669 101 BCR h C15 +59970 C C16 . BCR JI . ? 0.9071 0.9088 0.9363 -0.1245 -0.0586 -0.0684 101 BCR h C16 +59971 C C17 . BCR JI . ? 0.9791 0.9783 1.0097 -0.1305 -0.0546 -0.0691 101 BCR h C17 +59972 C C18 . BCR JI . ? 0.8540 0.8459 0.8800 -0.1344 -0.0543 -0.0702 101 BCR h C18 +59973 C C19 . BCR JI . ? 0.9034 0.8928 0.9309 -0.1404 -0.0500 -0.0708 101 BCR h C19 +59974 C C20 . BCR JI . ? 0.8977 0.8786 0.9199 -0.1443 -0.0488 -0.0714 101 BCR h C20 +59975 C C21 . BCR JI . ? 1.0215 1.0005 1.0458 -0.1501 -0.0442 -0.0718 101 BCR h C21 +59976 C C22 . BCR JI . ? 0.9325 0.9029 0.9517 -0.1546 -0.0426 -0.0724 101 BCR h C22 +59977 C C23 . BCR JI . ? 1.0648 1.0335 1.0859 -0.1598 -0.0381 -0.0726 101 BCR h C23 +59978 C C24 . BCR JI . ? 0.9393 0.8987 0.9548 -0.1642 -0.0363 -0.0731 101 BCR h C24 +59979 C C25 . BCR JI . ? 1.1581 1.1148 1.1749 -0.1701 -0.0313 -0.0732 101 BCR h C25 +59980 C C26 . BCR JI . ? 1.1558 1.1064 1.1680 -0.1696 -0.0268 -0.0700 101 BCR h C26 +59981 C C27 . BCR JI . ? 1.0318 0.9788 1.0444 -0.1753 -0.0215 -0.0699 101 BCR h C27 +59982 C C28 . BCR JI . ? 1.1740 1.1283 1.1957 -0.1816 -0.0215 -0.0737 101 BCR h C28 +59983 C C29 . BCR JI . ? 1.1257 1.0801 1.1473 -0.1827 -0.0262 -0.0768 101 BCR h C29 +59984 C C30 . BCR JI . ? 1.0789 1.0397 1.1023 -0.1768 -0.0315 -0.0772 101 BCR h C30 +59985 C C35 . BCR JI . ? 0.8783 0.8970 0.9163 -0.1102 -0.0594 -0.0633 101 BCR h C35 +59986 C C36 . BCR JI . ? 0.9271 0.9133 0.9462 -0.1325 -0.0582 -0.0709 101 BCR h C36 +59987 C C37 . BCR JI . ? 0.9767 0.9389 0.9877 -0.1536 -0.0456 -0.0729 101 BCR h C37 +59988 C C38 . BCR JI . ? 1.2470 1.1938 1.2530 -0.1631 -0.0267 -0.0663 101 BCR h C38 +59989 C C39 . BCR JI . ? 1.0863 1.0432 1.1059 -0.1773 -0.0359 -0.0795 101 BCR h C39 +59990 C C40 . BCR JI . ? 1.1549 1.1305 1.1910 -0.1774 -0.0329 -0.0796 101 BCR h C40 +59991 C C1A . DGD KI . ? 0.8953 0.7745 0.8089 -0.0906 -0.0304 -0.0271 102 DGD h C1A +59992 C C2A . DGD KI . ? 0.8594 0.7375 0.7710 -0.0902 -0.0335 -0.0290 102 DGD h C2A +59993 C C3A . DGD KI . ? 0.8464 0.7320 0.7620 -0.0874 -0.0364 -0.0294 102 DGD h C3A +59994 C C4A . DGD KI . ? 0.8595 0.7433 0.7719 -0.0864 -0.0396 -0.0310 102 DGD h C4A +59995 C C5A . DGD KI . ? 0.8944 0.7846 0.8096 -0.0830 -0.0423 -0.0310 102 DGD h C5A +59996 C C6A . DGD KI . ? 1.0108 0.8996 0.9232 -0.0824 -0.0456 -0.0329 102 DGD h C6A +59997 C C7A . DGD KI . ? 1.0818 0.9751 0.9949 -0.0783 -0.0481 -0.0324 102 DGD h C7A +59998 C C8A . DGD KI . ? 1.0302 0.9216 0.9400 -0.0778 -0.0513 -0.0343 102 DGD h C8A +59999 C C9A . DGD KI . ? 1.0379 0.9287 0.9438 -0.0731 -0.0528 -0.0330 102 DGD h C9A +60000 C CAA . DGD KI . ? 1.0273 0.9261 0.9384 -0.0708 -0.0543 -0.0325 102 DGD h CAA +60001 C CBA . DGD KI . ? 0.9867 0.8844 0.8934 -0.0669 -0.0566 -0.0322 102 DGD h CBA +60002 C CCA . DGD KI . ? 0.9855 0.8824 0.8898 -0.0629 -0.0550 -0.0292 102 DGD h CCA +60003 C CDA . DGD KI . ? 1.0137 0.9180 0.9232 -0.0610 -0.0560 -0.0285 102 DGD h CDA +60004 C CEA . DGD KI . ? 1.0978 1.0008 1.0031 -0.0565 -0.0564 -0.0266 102 DGD h CEA +60005 C CFA . DGD KI . ? 0.9434 0.8522 0.8529 -0.0543 -0.0563 -0.0250 102 DGD h CFA +60006 C CGA . DGD KI . ? 0.7894 0.6972 0.6993 -0.0539 -0.0529 -0.0226 102 DGD h CGA +60007 O O1A . DGD KI . ? 0.8913 0.7768 0.8096 -0.0890 -0.0303 -0.0262 102 DGD h O1A +60008 C C1B . DGD KI . ? 0.8434 0.7357 0.7727 -0.0981 -0.0271 -0.0290 102 DGD h C1B +60009 C C2B . DGD KI . ? 0.8465 0.7490 0.7834 -0.0969 -0.0289 -0.0297 102 DGD h C2B +60010 C C3B . DGD KI . ? 0.8943 0.7980 0.8301 -0.0922 -0.0287 -0.0271 102 DGD h C3B +60011 C C4B . DGD KI . ? 0.8514 0.7646 0.7945 -0.0910 -0.0296 -0.0273 102 DGD h C4B +60012 C C5B . DGD KI . ? 0.9006 0.8173 0.8441 -0.0875 -0.0331 -0.0277 102 DGD h C5B +60013 C C6B . DGD KI . ? 0.8432 0.7536 0.7793 -0.0838 -0.0337 -0.0259 102 DGD h C6B +60014 C C7B . DGD KI . ? 0.8554 0.7701 0.7926 -0.0802 -0.0368 -0.0260 102 DGD h C7B +60015 C C8B . DGD KI . ? 0.9508 0.8595 0.8808 -0.0773 -0.0380 -0.0251 102 DGD h C8B +60016 C C9B . DGD KI . ? 0.9582 0.8598 0.8824 -0.0763 -0.0354 -0.0228 102 DGD h C9B +60017 C CAB . DGD KI . ? 0.8899 0.7925 0.8130 -0.0721 -0.0349 -0.0203 102 DGD h CAB +60018 C CBB . DGD KI . ? 0.9971 0.8923 0.9140 -0.0711 -0.0326 -0.0184 102 DGD h CBB +60019 C CCB . DGD KI . ? 1.0236 0.9200 0.9412 -0.0692 -0.0306 -0.0160 102 DGD h CCB +60020 C CDB . DGD KI . ? 1.0560 0.9464 0.9702 -0.0708 -0.0278 -0.0151 102 DGD h CDB +60021 C CEB . DGD KI . ? 0.8875 0.7768 0.8001 -0.0682 -0.0260 -0.0126 102 DGD h CEB +60022 C CFB . DGD KI . ? 0.8405 0.7262 0.7478 -0.0645 -0.0267 -0.0113 102 DGD h CFB +60023 C CGB . DGD KI . ? 0.7549 0.6460 0.6648 -0.0614 -0.0281 -0.0105 102 DGD h CGB +60024 O O1B . DGD KI . ? 0.8287 0.7170 0.7555 -0.1005 -0.0279 -0.0307 102 DGD h O1B +60025 O O1G . DGD KI . ? 0.9248 0.7972 0.8347 -0.0929 -0.0273 -0.0263 102 DGD h O1G +60026 C C1G . DGD KI . ? 0.8629 0.7362 0.7741 -0.0925 -0.0246 -0.0243 102 DGD h C1G +60027 C C2G . DGD KI . ? 0.7837 0.6613 0.7010 -0.0970 -0.0230 -0.0257 102 DGD h C2G +60028 O O2G . DGD KI . ? 0.8208 0.7080 0.7454 -0.0961 -0.0244 -0.0262 102 DGD h O2G +60029 C C3G . DGD KI . ? 0.8165 0.6906 0.7320 -0.0977 -0.0194 -0.0237 102 DGD h C3G +60030 O O3G . DGD KI . ? 0.8027 0.6676 0.7119 -0.0999 -0.0178 -0.0237 102 DGD h O3G +60031 C C1D . DGD KI . ? 0.8713 0.7302 0.7748 -0.0976 -0.0157 -0.0211 102 DGD h C1D +60032 C C2D . DGD KI . ? 0.7463 0.5946 0.6418 -0.0985 -0.0147 -0.0210 102 DGD h C2D +60033 O O2D . DGD KI . ? 0.8188 0.6650 0.7112 -0.0966 -0.0175 -0.0219 102 DGD h O2D +60034 C C3D . DGD KI . ? 0.9381 0.7805 0.8278 -0.0957 -0.0126 -0.0183 102 DGD h C3D +60035 O O3D . DGD KI . ? 0.9317 0.7638 0.8135 -0.0962 -0.0116 -0.0180 102 DGD h O3D +60036 C C4D . DGD KI . ? 0.8692 0.7139 0.7621 -0.0976 -0.0098 -0.0174 102 DGD h C4D +60037 O O4D . DGD KI . ? 0.9426 0.7845 0.8358 -0.1028 -0.0082 -0.0189 102 DGD h O4D +60038 C C5D . DGD KI . ? 0.8341 0.6896 0.7352 -0.0968 -0.0109 -0.0177 102 DGD h C5D +60039 O O5D . DGD KI . ? 1.0282 0.8847 0.9336 -0.1031 -0.0061 -0.0179 102 DGD h O5D +60040 C C6D . DGD KI . ? 0.7473 0.6063 0.6522 -0.0981 -0.0083 -0.0168 102 DGD h C6D +60041 O O6D . DGD KI . ? 0.8860 0.7469 0.7924 -0.0993 -0.0129 -0.0202 102 DGD h O6D +60042 C C1E . DGD KI . ? 0.9576 0.8195 0.8685 -0.1052 -0.0039 -0.0179 102 DGD h C1E +60043 C C2E . DGD KI . ? 1.1229 0.9847 1.0364 -0.1109 -0.0024 -0.0200 102 DGD h C2E +60044 O O2E . DGD KI . ? 1.0648 0.9310 0.9826 -0.1126 -0.0051 -0.0226 102 DGD h O2E +60045 C C3E . DGD KI . ? 1.0861 0.9368 0.9917 -0.1130 -0.0003 -0.0195 102 DGD h C3E +60046 O O3E . DGD KI . ? 1.0502 0.9011 0.9587 -0.1186 0.0013 -0.0215 102 DGD h O3E +60047 C C4E . DGD KI . ? 1.1193 0.9648 1.0199 -0.1111 0.0023 -0.0168 102 DGD h C4E +60048 O O4E . DGD KI . ? 1.0075 0.8578 0.9128 -0.1131 0.0048 -0.0166 102 DGD h O4E +60049 C C5E . DGD KI . ? 0.9509 0.7976 0.8496 -0.1053 0.0004 -0.0150 102 DGD h C5E +60050 O O6E . DGD KI . ? 0.8133 0.6703 0.7196 -0.1038 -0.0013 -0.0155 102 DGD h O6E +60051 C C6E . DGD KI . ? 0.8553 0.6967 0.7485 -0.1028 0.0025 -0.0123 102 DGD h C6E +60052 O O5E . DGD KI . ? 1.0601 0.9073 0.9582 -0.1034 0.0042 -0.0117 102 DGD h O5E +60053 C C10 . UNL LI . ? 1.3450 1.3663 1.3244 0.0203 0.0039 0.0093 101 UNL i C10 +60054 C C11 . UNL LI . ? 1.1823 1.2015 1.1594 0.0185 0.0071 0.0100 101 UNL i C11 +60055 C C12 . UNL LI . ? 1.0377 1.0494 1.0093 0.0162 0.0065 0.0113 101 UNL i C12 +60056 C C13 . UNL LI . ? 1.0637 1.0715 1.0309 0.0159 0.0091 0.0120 101 UNL i C13 +60057 C C14 . UNL LI . ? 1.0277 1.0301 0.9913 0.0126 0.0090 0.0132 101 UNL i C14 +60058 C C15 . UNL LI . ? 0.9511 0.9465 0.9076 0.0137 0.0095 0.0137 101 UNL i C15 +60059 C C16 . UNL LI . ? 1.0088 0.9995 0.9620 0.0106 0.0100 0.0149 101 UNL i C16 +60060 C C17 . UNL LI . ? 1.0070 0.9995 0.9608 0.0092 0.0132 0.0152 101 UNL i C17 +60061 C C18 . UNL LI . ? 1.1258 1.1119 1.0742 0.0073 0.0135 0.0163 101 UNL i C18 +60062 C C19 . UNL LI . ? 1.0518 1.0397 1.0016 0.0046 0.0161 0.0170 101 UNL i C19 +60063 C C20 . UNL LI . ? 1.2668 1.2496 1.2132 0.0019 0.0152 0.0181 101 UNL i C20 +60064 C C21 . UNL LI . ? 1.2713 1.2539 1.2170 -0.0001 0.0180 0.0188 101 UNL i C21 +60065 C C22 . UNL LI . ? 1.4105 1.3880 1.3527 -0.0025 0.0172 0.0199 101 UNL i C22 +60066 C C23 . UNL LI . ? 1.8861 1.9418 1.8947 0.0155 0.0129 0.0060 101 UNL i C23 +60067 C C24 . UNL LI . ? 1.8450 1.8993 1.8541 0.0106 0.0132 0.0069 101 UNL i C24 +60068 C C25 . UNL LI . ? 1.4110 1.4622 1.4171 0.0085 0.0167 0.0080 101 UNL i C25 +60069 C C26 . UNL LI . ? 1.3799 1.4244 1.3788 0.0112 0.0173 0.0087 101 UNL i C26 +60070 C C27 . UNL LI . ? 1.4305 1.4673 1.4233 0.0119 0.0142 0.0094 101 UNL i C27 +60071 C C28 . UNL LI . ? 1.2795 1.3088 1.2647 0.0127 0.0155 0.0104 101 UNL i C28 +60072 C C29 . UNL LI . ? 1.1069 1.1363 1.0921 0.0098 0.0189 0.0111 101 UNL i C29 +60073 C C30 . UNL LI . ? 1.1668 1.1883 1.1442 0.0101 0.0199 0.0122 101 UNL i C30 +60074 C C31 . UNL LI . ? 1.0580 1.0786 1.0346 0.0069 0.0228 0.0131 101 UNL i C31 +60075 C C32 . UNL LI . ? 1.1612 1.1732 1.1305 0.0059 0.0222 0.0144 101 UNL i C32 +60076 C C33 . UNL LI . ? 1.4917 1.5020 1.4591 0.0034 0.0253 0.0153 101 UNL i C33 +60077 C C34 . UNL LI . ? 1.6405 1.6429 1.6014 0.0020 0.0242 0.0166 101 UNL i C34 +60078 C C35 . UNL LI . ? 1.4992 1.4987 1.4564 0.0006 0.0273 0.0175 101 UNL i C35 +60079 C C36 . UNL LI . ? 1.4525 1.4452 1.4045 -0.0014 0.0260 0.0187 101 UNL i C36 +60080 C C37 . UNL LI . ? 1.4950 1.4822 1.4404 -0.0010 0.0279 0.0194 101 UNL i C37 +60081 C C38 . UNL LI . ? 1.2481 1.2286 1.1884 -0.0023 0.0258 0.0204 101 UNL i C38 +60082 C C4 . UNL LI . ? 1.8845 1.9369 1.8916 0.0203 0.0008 0.0048 101 UNL i C4 +60083 C C5 . UNL LI . ? 2.0155 2.0619 2.0166 0.0211 0.0032 0.0058 101 UNL i C5 +60084 C C6 . UNL LI . ? 2.0024 2.0497 2.0048 0.0172 0.0064 0.0065 101 UNL i C6 +60085 C C7 . UNL LI . ? 1.7628 1.7968 1.7525 0.0255 -0.0003 0.0066 101 UNL i C7 +60086 C C8 . UNL LI . ? 1.5112 1.5370 1.4932 0.0268 0.0005 0.0074 101 UNL i C8 +60087 C C9 . UNL LI . ? 1.4683 1.4938 1.4499 0.0245 0.0039 0.0081 101 UNL i C9 +60088 O O10 . UNL LI . ? 1.5926 1.6526 1.6036 0.0169 0.0155 0.0054 101 UNL i O10 +60089 O O6 . UNL LI . ? 2.0357 2.0943 2.0469 0.0240 0.0001 0.0033 101 UNL i O6 +60090 O O7 . UNL LI . ? 1.8807 1.9182 1.8745 0.0213 0.0014 0.0069 101 UNL i O7 +60091 O O8 . UNL LI . ? 2.1567 2.2086 2.1617 0.0186 0.0094 0.0059 101 UNL i O8 +60092 O O9 . UNL LI . ? 1.8277 1.8650 1.8199 0.0281 -0.0024 0.0056 101 UNL i O9 +60093 C C10 . UNL MI . ? 1.4097 1.0706 1.0760 0.0218 -0.0240 -0.0345 101 UNL j C10 +60094 C C11 . UNL MI . ? 1.3027 0.9676 0.9680 0.0243 -0.0238 -0.0348 101 UNL j C11 +60095 C C12 . UNL MI . ? 1.5330 1.2025 1.2015 0.0201 -0.0262 -0.0357 101 UNL j C12 +60096 C C13 . UNL MI . ? 1.5032 1.1796 1.1734 0.0222 -0.0258 -0.0352 101 UNL j C13 +60097 C C14 . UNL MI . ? 1.5650 1.2481 1.2409 0.0180 -0.0281 -0.0352 101 UNL j C14 +60098 C C15 . UNL MI . ? 1.5260 1.2158 1.2034 0.0199 -0.0278 -0.0346 101 UNL j C15 +60099 C C16 . UNL MI . ? 1.3867 1.0828 1.0696 0.0158 -0.0302 -0.0346 101 UNL j C16 +60100 C C7 . UNL MI . ? 1.2502 0.8936 0.9073 0.0275 -0.0204 -0.0332 101 UNL j C7 +60101 C C8 . UNL MI . ? 1.3637 1.0147 1.0267 0.0233 -0.0221 -0.0334 101 UNL j C8 +60102 C C9 . UNL MI . ? 1.3567 1.0140 1.0207 0.0261 -0.0217 -0.0334 101 UNL j C9 +60103 MG MG . MG NI . ? 1.0119 0.6556 0.6959 -0.0169 -0.0291 -0.0350 102 MG j MG +60104 C C1 . BCR OI . ? 1.3082 0.9091 0.8717 0.1054 0.0081 -0.0488 101 BCR k C1 +60105 C C2 . BCR OI . ? 1.2196 0.8175 0.7838 0.1083 0.0087 -0.0483 101 BCR k C2 +60106 C C3 . BCR OI . ? 1.3186 0.9246 0.8878 0.1139 0.0122 -0.0470 101 BCR k C3 +60107 C C4 . BCR OI . ? 1.3368 0.9396 0.8987 0.1188 0.0148 -0.0486 101 BCR k C4 +60108 C C5 . BCR OI . ? 1.2144 0.8194 0.7748 0.1161 0.0145 -0.0490 101 BCR k C5 +60109 C C6 . BCR OI . ? 1.2592 0.8631 0.8201 0.1100 0.0113 -0.0492 101 BCR k C6 +60110 C C7 . BCR OI . ? 1.2399 0.8458 0.7992 0.1073 0.0106 -0.0496 101 BCR k C7 +60111 C C8 . BCR OI . ? 1.2157 0.8317 0.7805 0.1077 0.0126 -0.0482 101 BCR k C8 +60112 C C9 . BCR OI . ? 1.3432 0.9601 0.9056 0.1048 0.0115 -0.0487 101 BCR k C9 +60113 C C10 . BCR OI . ? 1.2185 0.8461 0.7882 0.1038 0.0128 -0.0468 101 BCR k C10 +60114 C C11 . BCR OI . ? 1.2588 0.8885 0.8273 0.1009 0.0118 -0.0469 101 BCR k C11 +60115 C C33 . BCR OI . ? 1.3118 0.9200 0.8699 0.1207 0.0179 -0.0494 101 BCR k C33 +60116 C C31 . BCR OI . ? 1.3775 0.9673 0.9324 0.1018 0.0051 -0.0511 101 BCR k C31 +60117 C C32 . BCR OI . ? 1.3031 0.9149 0.8771 0.1009 0.0071 -0.0466 101 BCR k C32 +60118 C C34 . BCR OI . ? 1.2310 0.8371 0.7831 0.1030 0.0091 -0.0512 101 BCR k C34 +60119 C C12 . BCR OI . ? 1.2962 0.9367 0.8732 0.0993 0.0127 -0.0447 101 BCR k C12 +60120 C C13 . BCR OI . ? 1.3718 1.0153 0.9487 0.0962 0.0115 -0.0444 101 BCR k C13 +60121 C C14 . BCR OI . ? 1.1834 0.8376 0.7695 0.0942 0.0122 -0.0421 101 BCR k C14 +60122 C C15 . BCR OI . ? 1.1739 0.8315 0.7606 0.0911 0.0109 -0.0416 101 BCR k C15 +60123 C C16 . BCR OI . ? 1.2137 0.8816 0.8092 0.0895 0.0119 -0.0393 101 BCR k C16 +60124 C C17 . BCR OI . ? 1.0697 0.7407 0.6657 0.0863 0.0104 -0.0387 101 BCR k C17 +60125 C C18 . BCR OI . ? 1.3252 1.0057 0.9291 0.0848 0.0114 -0.0365 101 BCR k C18 +60126 C C19 . BCR OI . ? 1.1616 0.8432 0.7642 0.0817 0.0094 -0.0363 101 BCR k C19 +60127 C C20 . BCR OI . ? 1.1208 0.8107 0.7308 0.0792 0.0093 -0.0343 101 BCR k C20 +60128 C C21 . BCR OI . ? 1.1154 0.8048 0.7227 0.0764 0.0069 -0.0344 101 BCR k C21 +60129 C C22 . BCR OI . ? 1.1973 0.8937 0.8117 0.0731 0.0057 -0.0327 101 BCR k C22 +60130 C C23 . BCR OI . ? 1.0417 0.7370 0.6529 0.0709 0.0033 -0.0330 101 BCR k C23 +60131 C C24 . BCR OI . ? 1.0814 0.7832 0.6989 0.0679 0.0021 -0.0313 101 BCR k C24 +60132 C C25 . BCR OI . ? 1.0289 0.7297 0.6432 0.0656 -0.0006 -0.0316 101 BCR k C25 +60133 C C26 . BCR OI . ? 1.1374 0.8375 0.7461 0.0674 0.0011 -0.0313 101 BCR k C26 +60134 C C27 . BCR OI . ? 1.0290 0.7280 0.6341 0.0653 -0.0018 -0.0315 101 BCR k C27 +60135 C C28 . BCR OI . ? 1.1090 0.8049 0.7141 0.0617 -0.0071 -0.0331 101 BCR k C28 +60136 C C29 . BCR OI . ? 1.1926 0.8937 0.8079 0.0590 -0.0082 -0.0322 101 BCR k C29 +60137 C C30 . BCR OI . ? 1.2327 0.9338 0.8505 0.0612 -0.0054 -0.0321 101 BCR k C30 +60138 C C35 . BCR OI . ? 1.2869 0.9216 0.8537 0.0951 0.0094 -0.0467 101 BCR k C35 +60139 C C36 . BCR OI . ? 1.0002 0.6898 0.6138 0.0861 0.0141 -0.0343 101 BCR k C36 +60140 C C37 . BCR OI . ? 1.0969 0.8022 0.7225 0.0721 0.0068 -0.0305 101 BCR k C37 +60141 C C38 . BCR OI . ? 1.0371 0.7374 0.6426 0.0717 0.0061 -0.0308 101 BCR k C38 +60142 C C39 . BCR OI . ? 1.1757 0.8851 0.8049 0.0593 -0.0048 -0.0300 101 BCR k C39 +60143 C C40 . BCR OI . ? 0.9861 0.6793 0.5994 0.0605 -0.0080 -0.0346 101 BCR k C40 +60144 C C1 A GOL PI . ? 1.5104 1.3792 1.3324 0.0045 -0.0270 0.0245 801 GOL l C1 +60145 C C1 B GOL PI . ? 1.5142 1.3827 1.3357 0.0046 -0.0267 0.0246 801 GOL l C1 +60146 O O1 A GOL PI . ? 1.4403 1.3061 1.2570 0.0053 -0.0255 0.0245 801 GOL l O1 +60147 O O1 B GOL PI . ? 1.4430 1.3087 1.2593 0.0054 -0.0253 0.0245 801 GOL l O1 +60148 C C2 A GOL PI . ? 1.4576 1.3313 1.2867 0.0030 -0.0279 0.0230 801 GOL l C2 +60149 C C2 B GOL PI . ? 1.4656 1.3389 1.2941 0.0032 -0.0279 0.0231 801 GOL l C2 +60150 O O2 A GOL PI . ? 1.4139 1.2904 1.2477 0.0026 -0.0303 0.0225 801 GOL l O2 +60151 O O2 B GOL PI . ? 1.4323 1.3081 1.2650 0.0029 -0.0304 0.0225 801 GOL l O2 +60152 C C3 A GOL PI . ? 1.3088 1.1846 1.1415 0.0016 -0.0243 0.0239 801 GOL l C3 +60153 C C3 B GOL PI . ? 1.3112 1.1870 1.1439 0.0016 -0.0245 0.0239 801 GOL l C3 +60154 O O3 A GOL PI . ? 1.0256 0.9043 0.8621 0.0007 -0.0246 0.0226 801 GOL l O3 +60155 O O3 B GOL PI . ? 1.0239 0.9026 0.8604 0.0008 -0.0249 0.0225 801 GOL l O3 +60156 C C1 . LMG QI . ? 1.0284 0.9437 0.9511 -0.0368 -0.0147 0.0123 101 LMG m C1 +60157 O O1 . LMG QI . ? 1.0671 0.9828 0.9904 -0.0373 -0.0155 0.0115 101 LMG m O1 +60158 C C2 . LMG QI . ? 1.0966 1.0081 1.0153 -0.0355 -0.0145 0.0131 101 LMG m C2 +60159 O O2 . LMG QI . ? 1.1075 1.0197 1.0260 -0.0337 -0.0156 0.0135 101 LMG m O2 +60160 C C3 . LMG QI . ? 1.1559 1.0666 1.0736 -0.0349 -0.0138 0.0139 101 LMG m C3 +60161 O O3 . LMG QI . ? 0.9758 0.8826 0.8895 -0.0339 -0.0137 0.0145 101 LMG m O3 +60162 C C4 . LMG QI . ? 1.0823 0.9928 1.0007 -0.0368 -0.0125 0.0135 101 LMG m C4 +60163 O O4 . LMG QI . ? 1.0296 0.9362 0.9452 -0.0382 -0.0116 0.0132 101 LMG m O4 +60164 C C5 . LMG QI . ? 1.1059 1.0205 1.0286 -0.0381 -0.0126 0.0126 101 LMG m C5 +60165 O O5 . LMG QI . ? 0.9873 0.9058 0.9150 -0.0411 -0.0113 0.0112 101 LMG m O5 +60166 C C6 . LMG QI . ? 1.0274 0.9417 0.9508 -0.0401 -0.0111 0.0121 101 LMG m C6 +60167 O O6 . LMG QI . ? 0.9949 0.9102 0.9186 -0.0386 -0.0135 0.0119 101 LMG m O6 +60168 C C7 . LMG QI . ? 0.9679 0.8877 0.8947 -0.0370 -0.0165 0.0111 101 LMG m C7 +60169 C C8 . LMG QI . ? 0.8747 0.7942 0.8005 -0.0360 -0.0177 0.0110 101 LMG m C8 +60170 C C9 . LMG QI . ? 0.9958 0.9148 0.9201 -0.0339 -0.0180 0.0122 101 LMG m C9 +60171 O O7 . LMG QI . ? 1.2177 1.1406 1.1466 -0.0361 -0.0188 0.0103 101 LMG m O7 +60172 C C10 . LMG QI . ? 0.8742 0.7973 0.8040 -0.0379 -0.0190 0.0091 101 LMG m C10 +60173 O O9 . LMG QI . ? 1.1309 1.0530 1.0608 -0.0396 -0.0179 0.0087 101 LMG m O9 +60174 C C11 . LMG QI . ? 0.9642 0.8887 0.8948 -0.0377 -0.0205 0.0083 101 LMG m C11 +60175 C C12 . LMG QI . ? 0.8639 0.7918 0.7984 -0.0391 -0.0208 0.0071 101 LMG m C12 +60176 C C13 . LMG QI . ? 0.9008 0.8295 0.8356 -0.0394 -0.0224 0.0060 101 LMG m C13 +60177 C C14 . LMG QI . ? 0.8541 0.7801 0.7874 -0.0413 -0.0220 0.0051 101 LMG m C14 +60178 C C15 . LMG QI . ? 0.8964 0.8223 0.8290 -0.0413 -0.0237 0.0041 101 LMG m C15 +60179 C C16 . LMG QI . ? 0.9997 0.9232 0.9313 -0.0436 -0.0233 0.0029 101 LMG m C16 +60180 C C17 . LMG QI . ? 0.9082 0.8286 0.8363 -0.0430 -0.0244 0.0026 101 LMG m C17 +60181 C C18 . LMG QI . ? 0.9578 0.8809 0.8873 -0.0424 -0.0265 0.0017 101 LMG m C18 +60182 C C19 . LMG QI . ? 0.8672 0.7869 0.7926 -0.0411 -0.0274 0.0018 101 LMG m C19 +60183 C C20 . LMG QI . ? 0.8703 0.7923 0.7962 -0.0397 -0.0294 0.0014 101 LMG m C20 +60184 C C21 . LMG QI . ? 0.9577 0.8760 0.8789 -0.0382 -0.0299 0.0017 101 LMG m C21 +60185 C C22 . LMG QI . ? 0.9949 0.9148 0.9158 -0.0365 -0.0318 0.0015 101 LMG m C22 +60186 C C23 . LMG QI . ? 0.9934 0.9095 0.9094 -0.0348 -0.0319 0.0020 101 LMG m C23 +60187 C C24 . LMG QI . ? 0.9789 0.8959 0.8940 -0.0336 -0.0339 0.0014 101 LMG m C24 +60188 C C25 . LMG QI . ? 1.0472 0.9608 0.9576 -0.0317 -0.0337 0.0022 101 LMG m C25 +60189 O O8 . LMG QI . ? 1.2323 1.1510 1.1555 -0.0329 -0.0190 0.0120 101 LMG m O8 +60190 C C28 . LMG QI . ? 1.0518 0.9701 0.9736 -0.0310 -0.0193 0.0129 101 LMG m C28 +60191 O O10 . LMG QI . ? 1.2901 1.2093 1.2124 -0.0302 -0.0189 0.0137 101 LMG m O10 +60192 C C29 . LMG QI . ? 0.9144 0.8313 0.8341 -0.0300 -0.0199 0.0128 101 LMG m C29 +60193 C C30 . LMG QI . ? 1.1096 1.0289 1.0310 -0.0299 -0.0210 0.0124 101 LMG m C30 +60194 C C31 . LMG QI . ? 1.0127 0.9322 0.9351 -0.0316 -0.0214 0.0112 101 LMG m C31 +60195 C C32 . LMG QI . ? 1.0301 0.9511 0.9530 -0.0312 -0.0228 0.0106 101 LMG m C32 +60196 C C33 . LMG QI . ? 1.0201 0.9439 0.9450 -0.0301 -0.0232 0.0112 101 LMG m C33 +60197 C C34 . LMG QI . ? 1.0941 1.0186 1.0186 -0.0294 -0.0246 0.0108 101 LMG m C34 +60198 C C35 . LMG QI . ? 0.8756 0.8015 0.8004 -0.0278 -0.0248 0.0117 101 LMG m C35 +60199 C C36 . LMG QI . ? 1.0329 0.9613 0.9607 -0.0280 -0.0246 0.0120 101 LMG m C36 +60200 C C37 . LMG QI . ? 1.1210 1.0505 1.0488 -0.0266 -0.0249 0.0128 101 LMG m C37 +60201 C C38 . LMG QI . ? 1.1357 1.0672 1.0652 -0.0265 -0.0262 0.0122 101 LMG m C38 +60202 C C39 . LMG QI . ? 1.1498 1.0835 1.0825 -0.0274 -0.0261 0.0117 101 LMG m C39 +60203 C C40 . LMG QI . ? 1.3710 1.3065 1.3052 -0.0265 -0.0267 0.0120 101 LMG m C40 +60204 C C41 . LMG QI . ? 1.2850 1.2223 1.2207 -0.0266 -0.0282 0.0109 101 LMG m C41 +60205 C C42 . LMG QI . ? 1.5026 1.4396 1.4368 -0.0250 -0.0294 0.0112 101 LMG m C42 +60206 C C43 . LMG QI . ? 1.5021 1.4367 1.4329 -0.0246 -0.0296 0.0114 101 LMG m C43 +60207 C C10 . UNL RI . ? 1.0197 0.9179 0.9014 -0.0126 -0.0158 0.0305 102 UNL m C10 +60208 C C11 . UNL RI . ? 0.9977 0.8998 0.8849 -0.0132 -0.0172 0.0294 102 UNL m C11 +60209 C C12 . UNL RI . ? 1.1508 1.0561 1.0406 -0.0137 -0.0168 0.0285 102 UNL m C12 +60210 C C13 . UNL RI . ? 1.0217 0.9306 0.9166 -0.0144 -0.0181 0.0274 102 UNL m C13 +60211 C C14 . UNL RI . ? 1.0575 0.9693 0.9555 -0.0154 -0.0168 0.0271 102 UNL m C14 +60212 C C15 . UNL RI . ? 1.0484 0.9632 0.9510 -0.0162 -0.0177 0.0262 102 UNL m C15 +60213 C C16 . UNL RI . ? 0.9962 0.9136 0.9018 -0.0171 -0.0163 0.0260 102 UNL m C16 +60214 C C7 . UNL RI . ? 1.1726 1.0602 1.0447 -0.0130 -0.0120 0.0342 102 UNL m C7 +60215 C C8 . UNL RI . ? 1.3735 1.2644 1.2475 -0.0124 -0.0131 0.0330 102 UNL m C8 +60216 C C9 . UNL RI . ? 1.2968 1.1918 1.1763 -0.0128 -0.0150 0.0317 102 UNL m C9 +60217 C C1B . LMT SI . ? 1.3948 1.2594 1.2403 -0.0006 -0.0238 0.0360 103 LMT m C1B +60218 C C2B . LMT SI . ? 1.2404 1.1025 1.0801 0.0013 -0.0249 0.0359 103 LMT m C2B +60219 C C3B . LMT SI . ? 1.2321 1.0947 1.0712 0.0039 -0.0288 0.0347 103 LMT m C3B +60220 C C4B . LMT SI . ? 1.4928 1.3525 1.3306 0.0053 -0.0300 0.0353 103 LMT m C4B +60221 C C5B . LMT SI . ? 1.4451 1.3080 1.2892 0.0031 -0.0287 0.0352 103 LMT m C5B +60222 C C6B . LMT SI . ? 1.3212 1.1821 1.1651 0.0044 -0.0300 0.0354 103 LMT m C6B +60223 O O1B . LMT SI . ? 1.3174 1.1882 1.1698 -0.0015 -0.0248 0.0344 103 LMT m O1B +60224 O O2B . LMT SI . ? 1.1924 1.0577 1.0342 0.0001 -0.0238 0.0353 103 LMT m O2B +60225 O O3B . LMT SI . ? 1.2461 1.1064 1.0801 0.0056 -0.0300 0.0346 103 LMT m O3B +60226 O "O4'" . LMT SI . ? 1.2463 1.1072 1.0843 0.0077 -0.0337 0.0341 103 LMT m "O4'" +60227 O O5B . LMT SI . ? 1.2946 1.1565 1.1387 0.0007 -0.0251 0.0363 103 LMT m O5B +60228 O O6B . LMT SI . ? 1.5579 1.4141 1.3956 0.0072 -0.0318 0.0359 103 LMT m O6B +60229 C "C1'" . LMT SI . ? 1.2212 1.1063 1.0920 -0.0076 -0.0216 0.0324 103 LMT m "C1'" +60230 C "C2'" . LMT SI . ? 1.6726 1.5555 1.5386 -0.0068 -0.0210 0.0328 103 LMT m "C2'" +60231 C "C3'" . LMT SI . ? 1.3558 1.2336 1.2151 -0.0045 -0.0225 0.0334 103 LMT m "C3'" +60232 C "C4'" . LMT SI . ? 1.3232 1.1973 1.1803 -0.0040 -0.0224 0.0344 103 LMT m "C4'" +60233 C "C5'" . LMT SI . ? 1.3669 1.2447 1.2302 -0.0047 -0.0234 0.0335 103 LMT m "C5'" +60234 C "C6'" . LMT SI . ? 1.2326 1.1073 1.0944 -0.0039 -0.0241 0.0341 103 LMT m "C6'" +60235 O "O1'" . LMT SI . ? 1.1949 1.0829 1.0701 -0.0097 -0.0197 0.0324 103 LMT m "O1'" +60236 O "O2'" . LMT SI . ? 1.2605 1.1469 1.1288 -0.0068 -0.0221 0.0315 103 LMT m "O2'" +60237 O "O3'" . LMT SI . ? 1.3341 1.2090 1.1885 -0.0043 -0.0210 0.0342 103 LMT m "O3'" +60238 O "O5'" . LMT SI . ? 1.2370 1.1179 1.1047 -0.0071 -0.0213 0.0335 103 LMT m "O5'" +60239 O "O6'" . LMT SI . ? 0.9247 0.8032 0.7923 -0.0049 -0.0244 0.0333 103 LMT m "O6'" +60240 C C1 . LMT SI . ? 1.1339 1.0254 1.0144 -0.0104 -0.0206 0.0315 103 LMT m C1 +60241 C C2 . LMT SI . ? 1.0541 0.9498 0.9389 -0.0119 -0.0196 0.0308 103 LMT m C2 +60242 C C3 . LMT SI . ? 0.9184 0.8179 0.8089 -0.0130 -0.0200 0.0300 103 LMT m C3 +60243 C C4 . LMT SI . ? 1.0533 0.9562 0.9470 -0.0144 -0.0188 0.0295 103 LMT m C4 +60244 C C5 . LMT SI . ? 1.0021 0.9085 0.9010 -0.0154 -0.0192 0.0287 103 LMT m C5 +60245 C C6 . LMT SI . ? 1.1007 1.0106 1.0027 -0.0164 -0.0185 0.0280 103 LMT m C6 +60246 C C7 . LMT SI . ? 0.9181 0.8311 0.8246 -0.0169 -0.0195 0.0271 103 LMT m C7 +60247 C C8 . LMT SI . ? 1.1055 1.0214 1.0145 -0.0176 -0.0190 0.0264 103 LMT m C8 +60248 C C9 . LMT SI . ? 1.0547 0.9735 0.9680 -0.0185 -0.0195 0.0256 103 LMT m C9 +60249 C C10 . LMT SI . ? 1.2982 1.2189 1.2126 -0.0182 -0.0204 0.0246 103 LMT m C10 +60250 C C11 . LMT SI . ? 1.2637 1.1871 1.1819 -0.0192 -0.0203 0.0240 103 LMT m C11 +60251 C C12 . LMT SI . ? 1.2894 1.2141 1.2080 -0.0192 -0.0204 0.0233 103 LMT m C12 +60252 CA CA . CA TI . ? 1.2796 1.3762 1.2849 0.1470 -0.0794 -0.0224 301 CA o CA +60253 C C1 . GOL UI . ? 1.3190 1.3284 1.2622 0.1290 -0.0174 -0.0088 302 GOL o C1 +60254 O O1 . GOL UI . ? 1.4152 1.4258 1.3591 0.1279 -0.0136 -0.0090 302 GOL o O1 +60255 C C2 . GOL UI . ? 1.4433 1.4388 1.3748 0.1317 -0.0190 -0.0079 302 GOL o C2 +60256 O O2 . GOL UI . ? 1.0907 1.0829 1.0197 0.1325 -0.0227 -0.0074 302 GOL o O2 +60257 C C3 . GOL UI . ? 1.5069 1.5017 1.4362 0.1383 -0.0181 -0.0092 302 GOL o C3 +60258 O O3 . GOL UI . ? 1.3251 1.3108 1.2463 0.1427 -0.0209 -0.0090 302 GOL o O3 +60259 C C1 . GOL VI . ? 1.2889 1.0717 1.0974 -0.0180 -0.0079 0.0174 303 GOL o C1 +60260 O O1 . GOL VI . ? 1.2885 1.0742 1.1006 -0.0221 -0.0068 0.0173 303 GOL o O1 +60261 C C2 . GOL VI . ? 1.5412 1.3192 1.3442 -0.0147 -0.0080 0.0187 303 GOL o C2 +60262 O O2 . GOL VI . ? 1.1834 0.9681 0.9904 -0.0123 -0.0091 0.0193 303 GOL o O2 +60263 C C3 . GOL VI . ? 1.4389 1.2105 1.2360 -0.0113 -0.0086 0.0186 303 GOL o C3 +60264 O O3 . GOL VI . ? 1.3541 1.1271 1.1504 -0.0068 -0.0098 0.0194 303 GOL o O3 +60265 C C1B . LMT WI . ? 1.8766 1.8087 1.8015 -0.0147 -0.0216 0.0189 101 LMT t C1B +60266 O O1B . LMT WI . ? 2.1236 2.0551 2.0489 -0.0161 -0.0208 0.0190 101 LMT t O1B +60267 O O5B . LMT WI . ? 1.7723 1.7043 1.6972 -0.0152 -0.0222 0.0188 101 LMT t O5B +60268 C "C1'" . LMT WI . ? 1.7863 1.7235 1.7181 -0.0188 -0.0194 0.0194 101 LMT t "C1'" +60269 C "C2'" . LMT WI . ? 1.6012 1.5389 1.5336 -0.0191 -0.0201 0.0192 101 LMT t "C2'" +60270 C "C3'" . LMT WI . ? 1.6931 1.6280 1.6227 -0.0185 -0.0204 0.0191 101 LMT t "C3'" +60271 C "C4'" . LMT WI . ? 1.9471 1.8816 1.8753 -0.0168 -0.0205 0.0191 101 LMT t "C4'" +60272 C "C5'" . LMT WI . ? 1.9318 1.8652 1.8593 -0.0170 -0.0198 0.0192 101 LMT t "C5'" +60273 C "C6'" . LMT WI . ? 1.8827 1.8141 1.8077 -0.0156 -0.0197 0.0192 101 LMT t "C6'" +60274 O "O1'" . LMT WI . ? 1.6861 1.6257 1.6200 -0.0190 -0.0190 0.0196 101 LMT t "O1'" +60275 O "O2'" . LMT WI . ? 1.7113 1.6491 1.6447 -0.0205 -0.0200 0.0192 101 LMT t "O2'" +60276 O "O3'" . LMT WI . ? 1.8100 1.7451 1.7397 -0.0186 -0.0210 0.0189 101 LMT t "O3'" +60277 O "O5'" . LMT WI . ? 1.8436 1.7798 1.7736 -0.0173 -0.0194 0.0194 101 LMT t "O5'" +60278 O "O6'" . LMT WI . ? 1.3812 1.3133 1.3068 -0.0155 -0.0191 0.0193 101 LMT t "O6'" +60279 C C1 . LMT WI . ? 1.2773 1.2175 1.2125 -0.0204 -0.0189 0.0197 101 LMT t C1 +60280 C C2 . LMT WI . ? 1.1951 1.1353 1.1301 -0.0203 -0.0182 0.0200 101 LMT t C2 +60281 C C3 . LMT WI . ? 1.0324 0.9715 0.9671 -0.0213 -0.0181 0.0201 101 LMT t C3 +60282 C C4 . LMT WI . ? 1.0835 1.0225 1.0176 -0.0209 -0.0175 0.0203 101 LMT t C4 +60283 C C5 . LMT WI . ? 1.1873 1.1247 1.1204 -0.0215 -0.0177 0.0203 101 LMT t C5 +60284 C C6 . LMT WI . ? 1.1587 1.0961 1.0912 -0.0213 -0.0172 0.0207 101 LMT t C6 +60285 C C7 . LMT WI . ? 1.2034 1.1391 1.1336 -0.0206 -0.0172 0.0204 101 LMT t C7 +60286 C C8 . LMT WI . ? 1.0771 1.0124 1.0064 -0.0205 -0.0169 0.0207 101 LMT t C8 +60287 C C9 . LMT WI . ? 1.2837 1.2184 1.2132 -0.0213 -0.0173 0.0208 101 LMT t C9 +60288 C C10 . LMT WI . ? 1.3355 1.2687 1.2629 -0.0209 -0.0175 0.0207 101 LMT t C10 +60289 C C11 . LMT WI . ? 1.0719 1.0037 0.9979 -0.0206 -0.0181 0.0201 101 LMT t C11 +60290 C C12 . LMT WI . ? 1.1520 1.0823 1.0758 -0.0202 -0.0184 0.0199 101 LMT t C12 +60291 C C1 . BCR XI . ? 0.9059 0.8235 0.7908 -0.0072 0.0043 0.0255 102 BCR t C1 +60292 C C2 . BCR XI . ? 1.0906 1.0048 0.9699 -0.0055 0.0049 0.0252 102 BCR t C2 +60293 C C3 . BCR XI . ? 1.0356 0.9515 0.9148 -0.0046 0.0079 0.0253 102 BCR t C3 +60294 C C4 . BCR XI . ? 0.8888 0.8060 0.7691 -0.0059 0.0104 0.0264 102 BCR t C4 +60295 C C5 . BCR XI . ? 1.0601 0.9803 0.9458 -0.0078 0.0097 0.0268 102 BCR t C5 +60296 C C6 . BCR XI . ? 0.9293 0.8497 0.8170 -0.0083 0.0069 0.0264 102 BCR t C6 +60297 C C7 . BCR XI . ? 1.0253 0.9485 0.9179 -0.0101 0.0067 0.0268 102 BCR t C7 +60298 C C8 . BCR XI . ? 0.9674 0.8920 0.8633 -0.0107 0.0045 0.0264 102 BCR t C8 +60299 C C9 . BCR XI . ? 0.9146 0.8418 0.8150 -0.0125 0.0044 0.0268 102 BCR t C9 +60300 C C10 . BCR XI . ? 0.9674 0.8951 0.8700 -0.0130 0.0021 0.0263 102 BCR t C10 +60301 C C11 . BCR XI . ? 0.8938 0.8238 0.8007 -0.0146 0.0017 0.0266 102 BCR t C11 +60302 C C33 . BCR XI . ? 0.9654 0.8884 0.8541 -0.0092 0.0123 0.0276 102 BCR t C33 +60303 C C31 . BCR XI . ? 0.8960 0.8112 0.7798 -0.0080 0.0019 0.0257 102 BCR t C31 +60304 C C32 . BCR XI . ? 1.2015 1.1217 1.0901 -0.0067 0.0033 0.0246 102 BCR t C32 +60305 C C34 . BCR XI . ? 0.8630 0.7921 0.7653 -0.0137 0.0069 0.0276 102 BCR t C34 +60306 C C12 . BCR XI . ? 0.9549 0.8856 0.8639 -0.0148 -0.0005 0.0260 102 BCR t C12 +60307 C C13 . BCR XI . ? 1.1106 1.0436 1.0238 -0.0162 -0.0012 0.0261 102 BCR t C13 +60308 C C14 . BCR XI . ? 0.7729 0.7062 0.6875 -0.0161 -0.0032 0.0254 102 BCR t C14 +60309 C C15 . BCR XI . ? 0.7483 0.6837 0.6668 -0.0172 -0.0042 0.0252 102 BCR t C15 +60310 C C16 . BCR XI . ? 0.8765 0.8112 0.7955 -0.0175 -0.0061 0.0249 102 BCR t C16 +60311 C C17 . BCR XI . ? 0.7199 0.6570 0.6428 -0.0185 -0.0067 0.0247 102 BCR t C17 +60312 C C18 . BCR XI . ? 0.7551 0.6919 0.6790 -0.0188 -0.0084 0.0243 102 BCR t C18 +60313 C C19 . BCR XI . ? 0.7063 0.6456 0.6338 -0.0196 -0.0088 0.0241 102 BCR t C19 +60314 C C20 . BCR XI . ? 0.7502 0.6895 0.6789 -0.0200 -0.0102 0.0237 102 BCR t C20 +60315 C C21 . BCR XI . ? 0.6408 0.5827 0.5728 -0.0207 -0.0103 0.0235 102 BCR t C21 +60316 C C22 . BCR XI . ? 0.7734 0.7155 0.7067 -0.0208 -0.0116 0.0230 102 BCR t C22 +60317 C C23 . BCR XI . ? 0.7965 0.7410 0.7325 -0.0213 -0.0117 0.0228 102 BCR t C23 +60318 C C24 . BCR XI . ? 0.7844 0.7293 0.7215 -0.0214 -0.0128 0.0223 102 BCR t C24 +60319 C C25 . BCR XI . ? 0.6682 0.6156 0.6081 -0.0218 -0.0131 0.0220 102 BCR t C25 +60320 C C26 . BCR XI . ? 0.7651 0.7143 0.7072 -0.0230 -0.0126 0.0222 102 BCR t C26 +60321 C C27 . BCR XI . ? 0.7430 0.6949 0.6880 -0.0233 -0.0130 0.0217 102 BCR t C27 +60322 C C28 . BCR XI . ? 0.7833 0.7364 0.7285 -0.0218 -0.0136 0.0212 102 BCR t C28 +60323 C C29 . BCR XI . ? 0.6914 0.6416 0.6340 -0.0212 -0.0146 0.0211 102 BCR t C29 +60324 C C30 . BCR XI . ? 0.8002 0.7479 0.7401 -0.0208 -0.0141 0.0214 102 BCR t C30 +60325 C C35 . BCR XI . ? 0.9693 0.9039 0.8847 -0.0177 0.0004 0.0268 102 BCR t C35 +60326 C C36 . BCR XI . ? 0.6733 0.6074 0.5947 -0.0182 -0.0099 0.0239 102 BCR t C36 +60327 C C37 . BCR XI . ? 0.7189 0.6586 0.6503 -0.0206 -0.0129 0.0227 102 BCR t C37 +60328 C C38 . BCR XI . ? 0.6542 0.6026 0.5959 -0.0240 -0.0115 0.0228 102 BCR t C38 +60329 C C39 . BCR XI . ? 0.6520 0.5999 0.5909 -0.0193 -0.0136 0.0213 102 BCR t C39 +60330 C C40 . BCR XI . ? 0.6079 0.5530 0.5461 -0.0209 -0.0151 0.0213 102 BCR t C40 +60331 FE FE . HEC YI . ? 1.0012 0.6151 0.6508 0.0890 -0.0120 -0.0017 201 HEC v FE +60332 C CHA . HEC YI . ? 0.9508 0.5588 0.5966 0.0914 -0.0137 0.0021 201 HEC v CHA +60333 C CHB . HEC YI . ? 1.0850 0.6637 0.7108 0.0829 -0.0112 -0.0030 201 HEC v CHB +60334 C CHC . HEC YI . ? 1.0373 0.6556 0.6886 0.0881 -0.0105 -0.0057 201 HEC v CHC +60335 C CHD . HEC YI . ? 0.9056 0.5552 0.5803 0.0924 -0.0126 -0.0006 201 HEC v CHD +60336 N NA . HEC YI . ? 1.0527 0.6494 0.6907 0.0877 -0.0123 -0.0006 201 HEC v NA +60337 C C1A . HEC YI . ? 0.9969 0.5937 0.6352 0.0886 -0.0129 0.0011 201 HEC v C1A +60338 C C2A . HEC YI . ? 1.1172 0.7000 0.7462 0.0860 -0.0126 0.0016 201 HEC v C2A +60339 C C3A . HEC YI . ? 1.0987 0.6735 0.7224 0.0835 -0.0119 0.0002 201 HEC v C3A +60340 C C4A . HEC YI . ? 1.1492 0.7326 0.7784 0.0846 -0.0117 -0.0013 201 HEC v C4A +60341 C CMA . HEC YI . ? 0.9882 0.5472 0.6015 0.0799 -0.0113 0.0000 201 HEC v CMA +60342 C CAA . HEC YI . ? 0.9677 0.5461 0.5937 0.0861 -0.0131 0.0034 201 HEC v CAA +60343 C CBA . HEC YI . ? 1.0954 0.6772 0.7261 0.0785 -0.0127 0.0042 201 HEC v CBA +60344 C CGA . HEC YI . ? 1.1123 0.6879 0.7387 0.0779 -0.0128 0.0060 201 HEC v CGA +60345 O O1A . HEC YI . ? 1.1538 0.7217 0.7731 0.0833 -0.0134 0.0066 201 HEC v O1A +60346 O O2A . HEC YI . ? 1.2209 0.7990 0.8508 0.0721 -0.0124 0.0067 201 HEC v O2A +60347 N NB . HEC YI . ? 1.0681 0.6692 0.7086 0.0863 -0.0111 -0.0039 201 HEC v NB +60348 C C1B . HEC YI . ? 1.0725 0.6594 0.7034 0.0839 -0.0109 -0.0042 201 HEC v C1B +60349 C C2B . HEC YI . ? 0.9530 0.5349 0.5799 0.0829 -0.0104 -0.0061 201 HEC v C2B +60350 C C3B . HEC YI . ? 1.0210 0.6139 0.6549 0.0843 -0.0103 -0.0069 201 HEC v C3B +60351 C C4B . HEC YI . ? 1.0240 0.6290 0.6665 0.0865 -0.0106 -0.0055 201 HEC v C4B +60352 C CMB . HEC YI . ? 1.0236 0.5901 0.6401 0.0799 -0.0101 -0.0071 201 HEC v CMB +60353 C CAB . HEC YI . ? 0.9880 0.5806 0.6207 0.0840 -0.0097 -0.0089 201 HEC v CAB +60354 C CBB . HEC YI . ? 1.0753 0.6566 0.6980 0.0896 -0.0094 -0.0099 201 HEC v CBB +60355 N NC . HEC YI . ? 0.9885 0.6195 0.6496 0.0900 -0.0116 -0.0028 201 HEC v NC +60356 C C1C . HEC YI . ? 1.0821 0.7123 0.7420 0.0896 -0.0109 -0.0045 201 HEC v C1C +60357 C C2C . HEC YI . ? 1.0110 0.6544 0.6794 0.0919 -0.0105 -0.0048 201 HEC v C2C +60358 C C3C . HEC YI . ? 0.9589 0.6116 0.6346 0.0923 -0.0111 -0.0034 201 HEC v C3C +60359 C C4C . HEC YI . ? 1.0760 0.7208 0.7468 0.0916 -0.0118 -0.0022 201 HEC v C4C +60360 C CMC . HEC YI . ? 0.9252 0.5715 0.5948 0.0911 -0.0097 -0.0064 201 HEC v CMC +60361 C CAC . HEC YI . ? 1.0309 0.6993 0.7176 0.0935 -0.0109 -0.0030 201 HEC v CAC +60362 C CBC . HEC YI . ? 0.9678 0.6414 0.6561 0.0995 -0.0103 -0.0040 201 HEC v CBC +60363 N ND . HEC YI . ? 1.0841 0.7116 0.7436 0.0913 -0.0131 0.0004 201 HEC v ND +60364 C C1D . HEC YI . ? 0.9369 0.5786 0.6062 0.0932 -0.0133 0.0005 201 HEC v C1D +60365 C C2D . HEC YI . ? 1.0589 0.7053 0.7313 0.0958 -0.0142 0.0019 201 HEC v C2D +60366 C C3D . HEC YI . ? 1.0315 0.6646 0.6945 0.0956 -0.0146 0.0028 201 HEC v C3D +60367 C C4D . HEC YI . ? 1.0979 0.7199 0.7534 0.0927 -0.0138 0.0018 201 HEC v C4D +60368 C CMD . HEC YI . ? 0.8546 0.5160 0.5375 0.0982 -0.0148 0.0024 201 HEC v CMD +60369 C CAD . HEC YI . ? 0.9930 0.6246 0.6545 0.0980 -0.0157 0.0044 201 HEC v CAD +60370 C CBD . HEC YI . ? 1.0181 0.6472 0.6756 0.1061 -0.0163 0.0040 201 HEC v CBD +60371 C CGD . HEC YI . ? 1.0526 0.6798 0.7081 0.1093 -0.0176 0.0055 201 HEC v CGD +60372 O O1D . HEC YI . ? 1.0818 0.6975 0.7292 0.1077 -0.0177 0.0063 201 HEC v O1D +60373 O O2D . HEC YI . ? 1.0436 0.6807 0.7052 0.1135 -0.0186 0.0057 201 HEC v O2D +60374 C C1 A GOL ZI . ? 1.1082 0.8126 0.8401 0.0355 -0.0129 0.0040 202 GOL v C1 +60375 C C1 B GOL ZI . ? 1.1129 0.8181 0.8456 0.0349 -0.0129 0.0039 202 GOL v C1 +60376 O O1 A GOL ZI . ? 1.0104 0.7176 0.7460 0.0317 -0.0129 0.0050 202 GOL v O1 +60377 O O1 B GOL ZI . ? 1.0102 0.7182 0.7463 0.0318 -0.0129 0.0051 202 GOL v O1 +60378 C C2 A GOL ZI . ? 1.2803 0.9961 1.0195 0.0380 -0.0130 0.0038 202 GOL v C2 +60379 C C2 B GOL ZI . ? 1.2888 1.0054 1.0287 0.0374 -0.0130 0.0038 202 GOL v C2 +60380 O O2 A GOL ZI . ? 1.2654 0.9789 1.0010 0.0430 -0.0129 0.0031 202 GOL v O2 +60381 O O2 B GOL ZI . ? 1.2706 0.9853 1.0073 0.0427 -0.0129 0.0032 202 GOL v O2 +60382 C C3 A GOL ZI . ? 1.2389 0.9595 0.9825 0.0332 -0.0130 0.0029 202 GOL v C3 +60383 C C3 B GOL ZI . ? 1.2429 0.9637 0.9867 0.0329 -0.0130 0.0028 202 GOL v C3 +60384 O O3 A GOL ZI . ? 1.1808 0.9102 0.9296 0.0355 -0.0130 0.0025 202 GOL v O3 +60385 O O3 B GOL ZI . ? 1.1779 0.9077 0.9270 0.0351 -0.0130 0.0025 202 GOL v O3 +60386 C C10 . UNL AJ . ? 1.4097 1.2319 1.2898 -0.1365 -0.0573 -0.0690 101 UNL x C10 +60387 C C11 . UNL AJ . ? 1.2404 1.0701 1.1252 -0.1370 -0.0621 -0.0722 101 UNL x C11 +60388 C C12 . UNL AJ . ? 1.2193 1.0555 1.1054 -0.1310 -0.0643 -0.0707 101 UNL x C12 +60389 C C13 . UNL AJ . ? 1.1399 0.9678 1.0159 -0.1261 -0.0651 -0.0694 101 UNL x C13 +60390 C C14 . UNL AJ . ? 1.0718 0.9061 0.9490 -0.1211 -0.0685 -0.0691 101 UNL x C14 +60391 C C15 . UNL AJ . ? 1.0086 0.8534 0.8943 -0.1196 -0.0678 -0.0674 101 UNL x C15 +60392 C C16 . UNL AJ . ? 1.0233 0.8749 0.9108 -0.1152 -0.0715 -0.0676 101 UNL x C16 +60393 C C17 . UNL AJ . ? 1.1601 1.0216 1.0557 -0.1137 -0.0706 -0.0658 101 UNL x C17 +60394 C C18 . UNL AJ . ? 0.9623 0.8299 0.8590 -0.1090 -0.0740 -0.0657 101 UNL x C18 +60395 C C19 . UNL AJ . ? 1.0899 0.9665 0.9940 -0.1072 -0.0729 -0.0638 101 UNL x C19 +60396 C C20 . UNL AJ . ? 1.1008 0.9831 1.0057 -0.1026 -0.0764 -0.0637 101 UNL x C20 +60397 C C21 . UNL AJ . ? 0.9383 0.8300 0.8511 -0.1011 -0.0758 -0.0622 101 UNL x C21 +60398 C C22 . UNL AJ . ? 1.1336 1.0303 1.0467 -0.0965 -0.0792 -0.0621 101 UNL x C22 +60399 C C7 . UNL AJ . ? 1.8979 1.7125 1.7821 -0.1531 -0.0527 -0.0737 101 UNL x C7 +60400 C C8 . UNL AJ . ? 1.5835 1.3997 1.4648 -0.1478 -0.0568 -0.0740 101 UNL x C8 +60401 C C9 . UNL AJ . ? 1.3634 1.1755 1.2384 -0.1414 -0.0553 -0.0702 101 UNL x C9 +60402 O O7 . UNL AJ . ? 1.8739 1.6885 1.7616 -0.1600 -0.0529 -0.0771 101 UNL x O7 +60403 O O9 . UNL AJ . ? 1.7504 1.5637 1.6340 -0.1517 -0.0491 -0.0706 101 UNL x O9 +60404 C C1 . BCR BJ . ? 1.5545 1.1651 1.1156 0.0823 -0.0035 -0.0512 101 BCR y C1 +60405 C C2 . BCR BJ . ? 1.2858 0.8885 0.8408 0.0868 -0.0016 -0.0524 101 BCR y C2 +60406 C C3 . BCR BJ . ? 1.3672 0.9731 0.9291 0.0873 -0.0008 -0.0507 101 BCR y C3 +60407 C C4 . BCR BJ . ? 1.4017 1.0196 0.9726 0.0893 0.0021 -0.0481 101 BCR y C4 +60408 C C5 . BCR BJ . ? 1.2843 0.9103 0.8600 0.0863 0.0015 -0.0470 101 BCR y C5 +60409 C C6 . BCR BJ . ? 1.2665 0.8893 0.8377 0.0832 -0.0010 -0.0484 101 BCR y C6 +60410 C C7 . BCR BJ . ? 1.2097 0.8413 0.7863 0.0808 -0.0014 -0.0470 101 BCR y C7 +60411 C C8 . BCR BJ . ? 1.2190 0.8521 0.7986 0.0756 -0.0049 -0.0470 101 BCR y C8 +60412 C C9 . BCR BJ . ? 1.1804 0.8220 0.7655 0.0729 -0.0056 -0.0456 101 BCR y C9 +60413 C C10 . BCR BJ . ? 1.0102 0.6516 0.5966 0.0680 -0.0093 -0.0461 101 BCR y C10 +60414 C C11 . BCR BJ . ? 1.0656 0.7148 0.6575 0.0652 -0.0105 -0.0448 101 BCR y C11 +60415 C C33 . BCR BJ . ? 1.2251 0.8633 0.8108 0.0870 0.0037 -0.0443 101 BCR y C33 +60416 C C31 . BCR BJ . ? 1.2029 0.8107 0.7568 0.0825 -0.0041 -0.0527 101 BCR y C31 +60417 C C32 . BCR BJ . ? 1.2631 0.8721 0.8275 0.0766 -0.0073 -0.0515 101 BCR y C32 +60418 C C34 . BCR BJ . ? 1.0294 0.6799 0.6191 0.0756 -0.0022 -0.0435 101 BCR y C34 +60419 C C12 . BCR BJ . ? 1.0672 0.7163 0.6616 0.0603 -0.0143 -0.0454 101 BCR y C12 +60420 C C13 . BCR BJ . ? 1.1353 0.7918 0.7356 0.0569 -0.0162 -0.0443 101 BCR y C13 +60421 C C14 . BCR BJ . ? 1.1722 0.8281 0.7749 0.0521 -0.0200 -0.0451 101 BCR y C14 +60422 C C15 . BCR BJ . ? 1.0833 0.7466 0.6923 0.0487 -0.0221 -0.0440 101 BCR y C15 +60423 C C16 . BCR BJ . ? 1.0683 0.7318 0.6810 0.0441 -0.0255 -0.0447 101 BCR y C16 +60424 C C17 . BCR BJ . ? 1.0382 0.7091 0.6575 0.0408 -0.0276 -0.0437 101 BCR y C17 +60425 C C18 . BCR BJ . ? 1.1026 0.7743 0.7257 0.0361 -0.0311 -0.0445 101 BCR y C18 +60426 C C19 . BCR BJ . ? 1.0696 0.7494 0.6994 0.0335 -0.0328 -0.0433 101 BCR y C19 +60427 C C20 . BCR BJ . ? 1.0853 0.7682 0.7213 0.0291 -0.0356 -0.0435 101 BCR y C20 +60428 C C21 . BCR BJ . ? 1.0184 0.7094 0.6604 0.0274 -0.0369 -0.0421 101 BCR y C21 +60429 C C22 . BCR BJ . ? 1.1299 0.8243 0.7772 0.0232 -0.0401 -0.0426 101 BCR y C22 +60430 C C23 . BCR BJ . ? 0.9839 0.6857 0.6359 0.0225 -0.0408 -0.0412 101 BCR y C23 +60431 C C24 . BCR BJ . ? 1.1894 0.8933 0.8437 0.0191 -0.0445 -0.0422 101 BCR y C24 +60432 C C25 . BCR BJ . ? 1.2639 0.9752 0.9227 0.0187 -0.0455 -0.0408 101 BCR y C25 +60433 C C26 . BCR BJ . ? 1.1023 0.8127 0.7556 0.0207 -0.0460 -0.0411 101 BCR y C26 +60434 C C27 . BCR BJ . ? 1.1854 0.9024 0.8421 0.0205 -0.0470 -0.0396 101 BCR y C27 +60435 C C28 . BCR BJ . ? 1.0687 0.7940 0.7360 0.0188 -0.0461 -0.0373 101 BCR y C28 +60436 C C29 . BCR BJ . ? 1.2103 0.9354 0.8824 0.0150 -0.0480 -0.0385 101 BCR y C29 +60437 C C30 . BCR BJ . ? 1.1978 0.9171 0.8671 0.0159 -0.0459 -0.0391 101 BCR y C30 +60438 C C35 . BCR BJ . ? 1.1279 0.7929 0.7324 0.0586 -0.0137 -0.0421 101 BCR y C35 +60439 C C36 . BCR BJ . ? 1.0925 0.7570 0.7132 0.0337 -0.0331 -0.0466 101 BCR y C36 +60440 C C37 . BCR BJ . ? 1.0466 0.7369 0.6943 0.0194 -0.0428 -0.0446 101 BCR y C37 +60441 C C38 . BCR BJ . ? 1.0895 0.7916 0.7321 0.0235 -0.0455 -0.0428 101 BCR y C38 +60442 C C39 . BCR BJ . ? 1.1433 0.8665 0.8172 0.0179 -0.0419 -0.0365 101 BCR y C39 +60443 C C40 . BCR BJ . ? 1.3542 1.0714 1.0261 0.0119 -0.0485 -0.0410 101 BCR y C40 +60444 C C1 . LMG CJ . ? 1.9505 1.6600 1.7416 0.1717 -0.0158 -0.0394 101 LMG Z C1 +60445 O O1 . LMG CJ . ? 1.5896 1.3034 1.3836 0.1651 -0.0137 -0.0396 101 LMG Z O1 +60446 C C2 . LMG CJ . ? 1.8855 1.6019 1.6820 0.1712 -0.0182 -0.0375 101 LMG Z C2 +60447 O O2 . LMG CJ . ? 1.8307 1.5577 1.6346 0.1775 -0.0187 -0.0389 101 LMG Z O2 +60448 C C3 . LMG CJ . ? 2.0900 1.7952 1.8790 0.1709 -0.0209 -0.0351 101 LMG Z C3 +60449 O O3 . LMG CJ . ? 1.8485 1.5555 1.6393 0.1637 -0.0214 -0.0328 101 LMG Z O3 +60450 C C4 . LMG CJ . ? 2.0764 1.7643 1.8532 0.1722 -0.0210 -0.0350 101 LMG Z C4 +60451 O O4 . LMG CJ . ? 1.9598 1.6378 1.7301 0.1686 -0.0228 -0.0324 101 LMG Z O4 +60452 C C5 . LMG CJ . ? 2.2426 1.9260 2.0160 0.1691 -0.0184 -0.0365 101 LMG Z C5 +60453 O O5 . LMG CJ . ? 1.9409 1.6192 1.7117 0.1566 -0.0195 -0.0325 101 LMG Z O5 +60454 C C6 . LMG CJ . ? 2.0726 1.7573 1.8472 0.1602 -0.0176 -0.0352 101 LMG Z C6 +60455 O O6 . LMG CJ . ? 2.3451 2.0380 2.1245 0.1727 -0.0164 -0.0391 101 LMG Z O6 +60456 C C7 . LMG CJ . ? 1.4197 1.1369 1.2153 0.1673 -0.0110 -0.0422 101 LMG Z C7 +60457 C C8 . LMG CJ . ? 1.4400 1.1534 1.2325 0.1607 -0.0091 -0.0423 101 LMG Z C8 +60458 C C9 . LMG CJ . ? 1.8210 1.5384 1.6152 0.1634 -0.0062 -0.0450 101 LMG Z C9 +60459 O O7 . LMG CJ . ? 1.8493 1.5470 1.6310 0.1591 -0.0101 -0.0413 101 LMG Z O7 +60460 C C10 . LMG CJ . ? 1.7345 1.4286 1.5139 0.1511 -0.0100 -0.0398 101 LMG Z C10 +60461 O O9 . LMG CJ . ? 1.6922 1.3763 1.4652 0.1488 -0.0117 -0.0381 101 LMG Z O9 +60462 C C11 . LMG CJ . ? 1.6909 1.3931 1.4754 0.1458 -0.0079 -0.0405 101 LMG Z C11 +60463 C C12 . LMG CJ . ? 1.6666 1.3598 1.4439 0.1446 -0.0062 -0.0421 101 LMG Z C12 +60464 C C13 . LMG CJ . ? 1.6083 1.3087 1.3893 0.1480 -0.0035 -0.0447 101 LMG Z C13 +60465 C C14 . LMG CJ . ? 1.8046 1.5209 1.5966 0.1458 -0.0023 -0.0446 101 LMG Z C14 +60466 C C15 . LMG CJ . ? 1.9353 1.6579 1.7303 0.1476 0.0007 -0.0471 101 LMG Z C15 +60467 C C16 . LMG CJ . ? 1.5814 1.3199 1.3875 0.1459 0.0020 -0.0471 101 LMG Z C16 +60468 C C17 . LMG CJ . ? 1.5065 1.2474 1.3142 0.1379 0.0022 -0.0457 101 LMG Z C17 +60469 C C18 . LMG CJ . ? 1.3535 1.0899 1.1564 0.1350 0.0044 -0.0470 101 LMG Z C18 +60470 C C19 . LMG CJ . ? 1.1227 0.8617 0.9273 0.1274 0.0044 -0.0456 101 LMG Z C19 +60471 C C20 . LMG CJ . ? 1.2803 1.0123 1.0784 0.1245 0.0059 -0.0468 101 LMG Z C20 +60472 C C21 . LMG CJ . ? 1.2751 1.0069 1.0730 0.1170 0.0054 -0.0453 101 LMG Z C21 +60473 C C22 . LMG CJ . ? 1.1743 0.8942 0.9649 0.1140 0.0029 -0.0439 101 LMG Z C22 +60474 C C23 . LMG CJ . ? 1.0801 0.8001 0.8706 0.1066 0.0025 -0.0427 101 LMG Z C23 +60475 C C24 . LMG CJ . ? 1.1481 0.8548 0.9299 0.1037 0.0007 -0.0420 101 LMG Z C24 +60476 C C25 . LMG CJ . ? 1.0923 0.7991 0.8741 0.0965 0.0001 -0.0409 101 LMG Z C25 +60477 O O8 . LMG CJ . ? 1.9012 1.6341 1.7062 0.1654 -0.0052 -0.0460 101 LMG Z O8 +60478 C C28 . LMG CJ . ? 1.9730 1.7149 1.7834 0.1637 -0.0022 -0.0477 101 LMG Z C28 +60479 O O10 . LMG CJ . ? 1.9290 1.6648 1.7342 0.1627 -0.0003 -0.0489 101 LMG Z O10 +60480 C C29 . LMG CJ . ? 1.8756 1.6340 1.6978 0.1631 -0.0012 -0.0479 101 LMG Z C29 +60481 C C1 . LMG DJ . ? 2.1454 1.7845 1.6329 0.1197 0.0482 -0.0420 101 LMG z C1 +60482 O O1 . LMG DJ . ? 2.0333 1.6771 1.5307 0.1193 0.0475 -0.0419 101 LMG z O1 +60483 C C2 . LMG DJ . ? 2.0308 1.6783 1.5247 0.1175 0.0500 -0.0391 101 LMG z C2 +60484 O O2 . LMG DJ . ? 1.8090 1.4618 1.3050 0.1204 0.0566 -0.0377 101 LMG z O2 +60485 C C3 . LMG DJ . ? 2.1980 1.8408 1.6837 0.1156 0.0474 -0.0390 101 LMG z C3 +60486 O O3 . LMG DJ . ? 2.1101 1.7538 1.6004 0.1113 0.0415 -0.0388 101 LMG z O3 +60487 C C4 . LMG DJ . ? 2.1396 1.7711 1.6108 0.1183 0.0467 -0.0416 101 LMG z C4 +60488 O O4 . LMG DJ . ? 2.4658 2.0929 1.9292 0.1167 0.0441 -0.0416 101 LMG z O4 +60489 C C5 . LMG DJ . ? 2.2061 1.8310 1.6748 0.1184 0.0425 -0.0444 101 LMG z C5 +60490 O O5 . LMG DJ . ? 2.0980 1.7252 1.5733 0.1107 0.0331 -0.0436 101 LMG z O5 +60491 C C6 . LMG DJ . ? 2.0997 1.7193 1.5643 0.1149 0.0358 -0.0455 101 LMG z C6 +60492 O O6 . LMG DJ . ? 2.2426 1.8734 1.7224 0.1177 0.0425 -0.0439 101 LMG z O6 +60493 C C7 . LMG DJ . ? 1.7950 1.4309 1.2879 0.1191 0.0433 -0.0444 101 LMG z C7 +60494 C C8 . LMG DJ . ? 1.6554 1.2942 1.1552 0.1209 0.0448 -0.0447 101 LMG z C8 +60495 C C9 . LMG DJ . ? 1.7403 1.3818 1.2393 0.1257 0.0513 -0.0443 101 LMG z C9 +60496 O O7 . LMG DJ . ? 2.0164 1.6459 1.5097 0.1214 0.0414 -0.0474 101 LMG z O7 +60497 C C10 . LMG DJ . ? 1.8892 1.5186 1.3874 0.1171 0.0358 -0.0475 101 LMG z C10 +60498 O O9 . LMG DJ . ? 1.8036 1.4338 1.3023 0.1134 0.0326 -0.0469 101 LMG z O9 +60499 C C11 . LMG DJ . ? 1.9410 1.5689 1.4433 0.1172 0.0342 -0.0485 101 LMG z C11 +60500 C C12 . LMG DJ . ? 1.9689 1.5921 1.4655 0.1225 0.0378 -0.0501 101 LMG z C12 +60501 C C13 . LMG DJ . ? 2.0925 1.7192 1.5972 0.1237 0.0386 -0.0498 101 LMG z C13 +60502 C C14 . LMG DJ . ? 2.2082 1.8471 1.7244 0.1242 0.0425 -0.0471 101 LMG z C14 +60503 C C15 . LMG DJ . ? 1.9864 1.6301 1.5125 0.1240 0.0420 -0.0464 101 LMG z C15 +60504 C C16 . LMG DJ . ? 1.9996 1.6413 1.5240 0.1292 0.0453 -0.0475 101 LMG z C16 +60505 C C17 . LMG DJ . ? 1.4800 1.1314 1.0164 0.1300 0.0473 -0.0457 101 LMG z C17 +60506 C C18 . LMG DJ . ? 1.4495 1.1025 0.9932 0.1258 0.0429 -0.0451 101 LMG z C18 +60507 C C19 . LMG DJ . ? 1.4513 1.0937 0.9885 0.1256 0.0391 -0.0473 101 LMG z C19 +60508 C C20 . LMG DJ . ? 1.3785 1.0229 0.9227 0.1207 0.0347 -0.0465 101 LMG z C20 +60509 C C21 . LMG DJ . ? 1.4553 1.0894 0.9937 0.1199 0.0309 -0.0486 101 LMG z C21 +60510 C C22 . LMG DJ . ? 1.3787 1.0114 0.9179 0.1140 0.0260 -0.0486 101 LMG z C22 +60511 C C23 . LMG DJ . ? 1.2781 0.9043 0.8167 0.1121 0.0222 -0.0499 101 LMG z C23 +60512 C C24 . LMG DJ . ? 1.3192 0.9440 0.8583 0.1063 0.0175 -0.0500 101 LMG z C24 +60513 C C25 . LMG DJ . ? 1.2742 0.8937 0.8140 0.1038 0.0139 -0.0510 101 LMG z C25 +60514 O O8 . LMG DJ . ? 2.2411 1.8839 1.7448 0.1281 0.0525 -0.0450 101 LMG z O8 +60515 C C28 . LMG DJ . ? 2.1733 1.8206 1.6792 0.1326 0.0585 -0.0446 101 LMG z C28 +60516 O O10 . LMG DJ . ? 2.0744 1.7250 1.5789 0.1338 0.0626 -0.0435 101 LMG z O10 +60517 C C29 . LMG DJ . ? 1.9974 1.6453 1.5072 0.1357 0.0597 -0.0455 101 LMG z C29 +60518 C C30 . LMG DJ . ? 1.9433 1.5983 1.4653 0.1326 0.0571 -0.0441 101 LMG z C30 +60519 C C31 . LMG DJ . ? 1.6869 1.3443 1.2141 0.1360 0.0590 -0.0445 101 LMG z C31 +60520 O O . HOH EJ . ? 0.6782 0.6117 0.6159 -0.0292 -0.0155 0.0149 501 HOH A O +60521 O O . HOH EJ . ? 1.1160 1.1671 1.1561 0.0771 -0.0640 -0.0305 502 HOH A O +60522 O O . HOH EJ . ? 0.8233 0.7972 0.8038 -0.0544 0.0256 -0.0048 503 HOH A O +60523 O O . HOH EJ . ? 0.7184 0.5820 0.6027 -0.0245 -0.0107 0.0358 504 HOH A O +60524 O O A HOH EJ . ? 1.0070 0.8580 0.8797 -0.0123 -0.0183 0.0355 505 HOH A O +60525 O O B HOH EJ . ? 1.0195 0.8692 0.8913 -0.0124 -0.0181 0.0358 505 HOH A O +60526 O O A HOH EJ . ? 0.6251 0.5561 0.5519 -0.0330 0.0247 0.0016 506 HOH A O +60527 O O B HOH EJ . ? 0.6199 0.5500 0.5456 -0.0331 0.0246 0.0018 506 HOH A O +60528 O O A HOH EJ . ? 0.5962 0.5069 0.5026 -0.0265 0.0041 0.0061 507 HOH A O +60529 O O B HOH EJ . ? 0.5709 0.4838 0.4801 -0.0280 0.0040 0.0071 507 HOH A O +60530 O O . HOH EJ . ? 0.7715 0.7351 0.7376 -0.0546 0.0393 -0.0040 508 HOH A O +60531 O O A HOH EJ . ? 0.9378 0.7442 0.7898 0.0216 -0.0318 0.0269 509 HOH A O +60532 O O B HOH EJ . ? 0.9322 0.7367 0.7826 0.0217 -0.0317 0.0273 509 HOH A O +60533 O O . HOH EJ . ? 1.0239 0.8886 0.8904 -0.0313 -0.0392 -0.0136 510 HOH A O +60534 O O A HOH EJ . ? 0.7113 0.6479 0.6442 -0.0115 0.0252 -0.0086 511 HOH A O +60535 O O B HOH EJ . ? 0.7029 0.6384 0.6348 -0.0111 0.0249 -0.0086 511 HOH A O +60536 O O . HOH EJ . ? 0.9849 0.8087 0.8356 -0.0465 -0.0485 -0.0284 512 HOH A O +60537 O O A HOH EJ . ? 1.1300 0.9017 0.9534 0.0151 -0.0267 0.0352 513 HOH A O +60538 O O B HOH EJ . ? 1.1328 0.9054 0.9568 0.0152 -0.0268 0.0351 513 HOH A O +60539 O O A HOH EJ . ? 0.7154 0.6219 0.6255 -0.0137 0.0021 -0.0024 514 HOH A O +60540 O O B HOH EJ . ? 0.7181 0.6251 0.6289 -0.0136 0.0021 -0.0024 514 HOH A O +60541 O O . HOH EJ . ? 0.6859 0.5352 0.5576 -0.0333 -0.0324 -0.0135 515 HOH A O +60542 O O A HOH EJ . ? 0.8031 0.6127 0.6401 -0.0024 -0.0195 0.0414 516 HOH A O +60543 O O B HOH EJ . ? 0.8026 0.6121 0.6397 -0.0027 -0.0193 0.0414 516 HOH A O +60544 O O A HOH EJ . ? 0.7659 0.6480 0.6520 -0.0144 -0.0055 -0.0052 517 HOH A O +60545 O O B HOH EJ . ? 0.7640 0.6465 0.6503 -0.0144 -0.0052 -0.0051 517 HOH A O +60546 O O A HOH EJ . ? 0.6922 0.6110 0.6088 -0.0215 0.0098 0.0010 518 HOH A O +60547 O O B HOH EJ . ? 0.7209 0.6390 0.6364 -0.0216 0.0102 0.0009 518 HOH A O +60548 O O . HOH EJ . ? 0.5717 0.5094 0.5178 -0.0240 -0.0135 0.0101 519 HOH A O +60549 O O . HOH EJ . ? 0.8372 0.6673 0.6762 -0.0252 -0.0322 -0.0213 520 HOH A O +60550 O O A HOH EJ . ? 0.6784 0.5531 0.5760 -0.0018 -0.0075 -0.0070 521 HOH A O +60551 O O B HOH EJ . ? 0.6781 0.5529 0.5756 -0.0018 -0.0074 -0.0071 521 HOH A O +60552 O O A HOH EJ . ? 1.0131 0.8136 0.8573 0.0294 -0.0352 0.0281 522 HOH A O +60553 O O B HOH EJ . ? 1.0154 0.8160 0.8595 0.0297 -0.0354 0.0281 522 HOH A O +60554 O O . HOH EJ . ? 0.6238 0.5266 0.5203 -0.0384 0.0213 0.0093 523 HOH A O +60555 O O A HOH EJ . ? 0.8220 0.6261 0.6543 0.0188 -0.0326 0.0374 524 HOH A O +60556 O O B HOH EJ . ? 0.8215 0.6253 0.6536 0.0182 -0.0322 0.0376 524 HOH A O +60557 O O . HOH EJ . ? 0.9003 0.6485 0.7384 -0.0506 -0.0049 0.0260 525 HOH A O +60558 O O A HOH EJ . ? 0.7074 0.5820 0.5922 -0.0226 -0.0196 -0.0050 526 HOH A O +60559 O O B HOH EJ . ? 0.7092 0.5836 0.5939 -0.0227 -0.0198 -0.0050 526 HOH A O +60560 O O . HOH EJ . ? 1.1239 1.1293 1.1238 0.0659 -0.0645 -0.0171 527 HOH A O +60561 O O . HOH EJ . ? 0.9219 0.8455 0.8480 -0.0363 0.0005 0.0113 528 HOH A O +60562 O O A HOH EJ . ? 0.6371 0.5423 0.5492 -0.0161 -0.0045 0.0000 529 HOH A O +60563 O O B HOH EJ . ? 0.6342 0.5399 0.5466 -0.0161 -0.0043 0.0000 529 HOH A O +60564 O O A HOH EJ . ? 0.7712 0.6530 0.6547 -0.0183 -0.0103 -0.0036 530 HOH A O +60565 O O B HOH EJ . ? 0.8132 0.6960 0.6976 -0.0182 -0.0097 -0.0034 530 HOH A O +60566 O O . HOH EJ . ? 0.6379 0.5862 0.5898 -0.0445 0.0189 0.0024 531 HOH A O +60567 O O A HOH EJ . ? 0.7044 0.6137 0.6058 -0.0239 0.0165 0.0014 532 HOH A O +60568 O O B HOH EJ . ? 0.7062 0.6154 0.6076 -0.0239 0.0162 0.0014 532 HOH A O +60569 O O . HOH EJ . ? 0.6969 0.5466 0.5639 -0.0344 -0.0362 -0.0159 533 HOH A O +60570 O O A HOH EJ . ? 0.6802 0.6064 0.6112 -0.0199 -0.0008 0.0028 534 HOH A O +60571 O O B HOH EJ . ? 0.6822 0.6084 0.6131 -0.0199 -0.0007 0.0028 534 HOH A O +60572 O O A HOH EJ . ? 0.7174 0.6169 0.6051 -0.0244 0.0186 0.0020 535 HOH A O +60573 O O B HOH EJ . ? 0.7118 0.6121 0.6007 -0.0243 0.0181 0.0020 535 HOH A O +60574 O O A HOH EJ . ? 0.9119 0.7385 0.7599 -0.0098 -0.0155 0.0412 536 HOH A O +60575 O O B HOH EJ . ? 0.9106 0.7373 0.7586 -0.0100 -0.0153 0.0413 536 HOH A O +60576 O O A HOH EJ . ? 0.6089 0.5235 0.5260 -0.0201 -0.0008 0.0024 537 HOH A O +60577 O O B HOH EJ . ? 0.6037 0.5186 0.5208 -0.0203 -0.0007 0.0025 537 HOH A O +60578 O O A HOH EJ . ? 1.1162 0.9170 0.9480 0.0538 -0.0496 0.0288 538 HOH A O +60579 O O B HOH EJ . ? 1.1144 0.9161 0.9474 0.0534 -0.0493 0.0285 538 HOH A O +60580 O O A HOH EJ . ? 0.5956 0.5285 0.5354 -0.0252 -0.0105 0.0093 539 HOH A O +60581 O O B HOH EJ . ? 0.5955 0.5284 0.5353 -0.0252 -0.0105 0.0093 539 HOH A O +60582 O O A HOH EJ . ? 1.1779 0.9624 0.9957 0.0169 -0.0291 0.0408 540 HOH A O +60583 O O B HOH EJ . ? 1.2000 0.9840 1.0178 0.0168 -0.0289 0.0407 540 HOH A O +60584 O O . HOH EJ . ? 1.0584 1.0660 1.0658 -0.0454 0.0415 -0.0150 541 HOH A O +60585 O O A HOH EJ . ? 0.7314 0.6179 0.6020 -0.0253 0.0163 0.0046 542 HOH A O +60586 O O B HOH EJ . ? 0.7232 0.6113 0.5959 -0.0251 0.0161 0.0042 542 HOH A O +60587 O O A HOH EJ . ? 0.7089 0.6444 0.6402 -0.0371 0.0304 0.0008 543 HOH A O +60588 O O B HOH EJ . ? 0.7127 0.6476 0.6433 -0.0371 0.0303 0.0009 543 HOH A O +60589 O O A HOH EJ . ? 0.6965 0.5669 0.5950 0.0676 -0.0497 0.0069 544 HOH A O +60590 O O B HOH EJ . ? 0.6969 0.5666 0.5949 0.0674 -0.0495 0.0071 544 HOH A O +60591 O O . HOH EJ . ? 0.5904 0.5425 0.5465 -0.0347 0.0075 0.0029 545 HOH A O +60592 O O A HOH EJ . ? 1.0011 0.8505 0.8775 -0.0076 -0.0222 0.0324 546 HOH A O +60593 O O B HOH EJ . ? 1.0119 0.8610 0.8883 -0.0081 -0.0219 0.0325 546 HOH A O +60594 O O A HOH EJ . ? 0.6318 0.5514 0.5521 -0.0214 0.0036 0.0023 547 HOH A O +60595 O O B HOH EJ . ? 0.6327 0.5526 0.5533 -0.0214 0.0036 0.0023 547 HOH A O +60596 O O A HOH EJ . ? 0.6904 0.5909 0.6161 0.0413 -0.0373 0.0046 548 HOH A O +60597 O O B HOH EJ . ? 0.6965 0.5976 0.6228 0.0416 -0.0373 0.0043 548 HOH A O +60598 O O A HOH EJ . ? 0.6374 0.5840 0.5842 -0.0203 0.0161 -0.0032 549 HOH A O +60599 O O B HOH EJ . ? 0.6410 0.5872 0.5874 -0.0202 0.0163 -0.0033 549 HOH A O +60600 O O A HOH EJ . ? 0.6393 0.5302 0.5208 -0.0222 -0.0047 0.0034 550 HOH A O +60601 O O B HOH EJ . ? 0.6392 0.5304 0.5210 -0.0222 -0.0048 0.0034 550 HOH A O +60602 O O . HOH EJ . ? 0.8522 0.8330 0.8402 0.0346 -0.0358 -0.0091 551 HOH A O +60603 O O B HOH EJ . ? 0.6483 0.5488 0.5412 -0.0293 0.0024 0.0105 552 HOH A O +60604 O O . HOH EJ . ? 1.2256 1.2119 1.2072 -0.0289 0.0415 -0.0130 553 HOH A O +60605 O O . HOH EJ . ? 0.5795 0.5287 0.5343 -0.0296 -0.0030 0.0056 554 HOH A O +60606 O O A HOH EJ . ? 0.6405 0.5639 0.5567 -0.0330 0.0291 0.0016 555 HOH A O +60607 O O B HOH EJ . ? 0.6414 0.5646 0.5573 -0.0328 0.0292 0.0015 555 HOH A O +60608 O O A HOH EJ . ? 0.8789 0.7659 0.7661 -0.0149 -0.0020 -0.0041 556 HOH A O +60609 O O B HOH EJ . ? 0.8949 0.7824 0.7832 -0.0147 -0.0019 -0.0041 556 HOH A O +60610 O O A HOH EJ . ? 0.8102 0.6811 0.6700 -0.0170 -0.0063 -0.0047 557 HOH A O +60611 O O B HOH EJ . ? 0.8139 0.6846 0.6736 -0.0169 -0.0061 -0.0047 557 HOH A O +60612 O O . HOH EJ . ? 1.3208 1.2420 1.2445 -0.0401 0.0071 0.0104 558 HOH A O +60613 O O A HOH EJ . ? 1.1565 0.8699 0.9587 -0.0067 -0.0153 0.0294 559 HOH A O +60614 O O B HOH EJ . ? 1.1558 0.8701 0.9587 -0.0072 -0.0152 0.0294 559 HOH A O +60615 O O A HOH EJ . ? 0.8343 0.7019 0.7166 -0.0162 -0.0141 -0.0071 560 HOH A O +60616 O O B HOH EJ . ? 0.8379 0.7052 0.7200 -0.0161 -0.0141 -0.0072 560 HOH A O +60617 O O A HOH EJ . ? 0.5991 0.4759 0.5053 -0.0220 -0.0195 0.0023 561 HOH A O +60618 O O B HOH EJ . ? 0.6025 0.4795 0.5087 -0.0218 -0.0194 0.0023 561 HOH A O +60619 O O . HOH EJ . ? 0.8985 0.7374 0.7362 -0.0240 -0.0333 -0.0193 562 HOH A O +60620 O O . HOH EJ . ? 1.0727 0.9212 0.9367 -0.0231 -0.0059 0.0412 563 HOH A O +60621 O O A HOH EJ . ? 0.6340 0.5522 0.5487 -0.0292 0.0100 0.0057 564 HOH A O +60622 O O B HOH EJ . ? 0.6349 0.5531 0.5496 -0.0293 0.0102 0.0056 564 HOH A O +60623 O O A HOH EJ . ? 0.6616 0.5766 0.5785 -0.0224 -0.0032 0.0043 565 HOH A O +60624 O O B HOH EJ . ? 0.6704 0.5858 0.5878 -0.0225 -0.0032 0.0044 565 HOH A O +60625 O O . HOH EJ . ? 1.2044 1.1352 1.1400 -0.0345 -0.0086 0.0126 566 HOH A O +60626 O O A HOH EJ . ? 0.6944 0.5730 0.5663 -0.0167 -0.0034 -0.0040 567 HOH A O +60627 O O B HOH EJ . ? 0.6855 0.5643 0.5574 -0.0165 -0.0027 -0.0040 567 HOH A O +60628 O O . HOH EJ . ? 0.7730 0.6150 0.6287 -0.0518 -0.0633 -0.0340 568 HOH A O +60629 O O A HOH EJ . ? 0.7630 0.6321 0.6419 -0.0120 -0.0083 -0.0085 569 HOH A O +60630 O O B HOH EJ . ? 0.7665 0.6355 0.6451 -0.0121 -0.0083 -0.0085 569 HOH A O +60631 O O A HOH EJ . ? 0.8077 0.7025 0.7056 -0.0116 0.0019 -0.0048 570 HOH A O +60632 O O B HOH EJ . ? 0.8323 0.7273 0.7307 -0.0122 0.0010 -0.0043 570 HOH A O +60633 O O A HOH EJ . ? 0.7258 0.5865 0.6070 -0.0246 -0.0229 -0.0077 571 HOH A O +60634 O O B HOH EJ . ? 0.7279 0.5887 0.6091 -0.0244 -0.0227 -0.0077 571 HOH A O +60635 O O . HOH EJ . ? 0.8194 0.6620 0.6505 -0.0345 -0.0632 -0.0310 572 HOH A O +60636 O O A HOH EJ . ? 0.6433 0.5987 0.6029 -0.0272 0.0052 0.0012 573 HOH A O +60637 O O B HOH EJ . ? 0.6458 0.6013 0.6055 -0.0270 0.0051 0.0011 573 HOH A O +60638 O O A HOH EJ . ? 0.7725 0.6394 0.6222 -0.0172 -0.0060 -0.0032 574 HOH A O +60639 O O B HOH EJ . ? 0.7743 0.6413 0.6240 -0.0173 -0.0061 -0.0032 574 HOH A O +60640 O O . HOH EJ . ? 0.6435 0.5955 0.6083 0.0215 -0.0318 -0.0004 575 HOH A O +60641 O O A HOH EJ . ? 0.6542 0.5577 0.5525 -0.0250 -0.0066 0.0071 576 HOH A O +60642 O O B HOH EJ . ? 0.6552 0.5590 0.5540 -0.0250 -0.0065 0.0071 576 HOH A O +60643 O O . HOH EJ . ? 0.9453 0.9263 0.9225 0.0655 -0.0670 -0.0106 577 HOH A O +60644 O O . HOH EJ . ? 0.6375 0.5495 0.5716 0.0604 -0.0431 -0.0013 578 HOH A O +60645 O O . HOH EJ . ? 1.2892 0.9877 1.0909 -0.0344 -0.0071 0.0275 579 HOH A O +60646 O O . HOH EJ . ? 0.9142 0.7971 0.8176 0.0787 -0.0587 0.0051 580 HOH A O +60647 O O . HOH EJ . ? 0.6222 0.6141 0.6138 0.0402 -0.0513 -0.0100 581 HOH A O +60648 O O A HOH EJ . ? 0.8848 0.7554 0.7654 -0.0013 0.0014 -0.0123 582 HOH A O +60649 O O B HOH EJ . ? 0.8899 0.7609 0.7710 -0.0014 0.0013 -0.0121 582 HOH A O +60650 O O A HOH EJ . ? 0.6345 0.5465 0.5542 -0.0175 -0.0057 0.0019 583 HOH A O +60651 O O B HOH EJ . ? 0.6349 0.5471 0.5548 -0.0175 -0.0057 0.0019 583 HOH A O +60652 O O A HOH EJ . ? 0.7275 0.6139 0.6022 -0.0175 0.0095 -0.0020 584 HOH A O +60653 O O B HOH EJ . ? 0.7327 0.6194 0.6079 -0.0176 0.0093 -0.0020 584 HOH A O +60654 O O A HOH EJ . ? 0.5834 0.5110 0.5246 -0.0183 -0.0152 0.0087 585 HOH A O +60655 O O B HOH EJ . ? 0.5841 0.5116 0.5253 -0.0183 -0.0153 0.0088 585 HOH A O +60656 O O A HOH EJ . ? 0.7323 0.6788 0.6747 -0.0328 0.0313 -0.0026 586 HOH A O +60657 O O B HOH EJ . ? 0.7392 0.6863 0.6822 -0.0325 0.0313 -0.0028 586 HOH A O +60658 O O . HOH EJ . ? 0.8145 0.7937 0.7906 -0.0255 0.0338 -0.0109 587 HOH A O +60659 O O . HOH EJ . ? 0.8883 0.8698 0.8648 -0.0213 0.0384 -0.0135 588 HOH A O +60660 O O A HOH EJ . ? 0.6406 0.5909 0.5844 -0.0226 0.0354 -0.0077 589 HOH A O +60661 O O B HOH EJ . ? 0.6411 0.5918 0.5853 -0.0225 0.0354 -0.0078 589 HOH A O +60662 O O A HOH EJ . ? 0.5841 0.5152 0.5193 -0.0282 -0.0067 0.0095 590 HOH A O +60663 O O B HOH EJ . ? 0.5832 0.5144 0.5186 -0.0282 -0.0069 0.0095 590 HOH A O +60664 O O A HOH EJ . ? 1.0482 0.8996 0.9106 0.0165 -0.0384 0.0316 591 HOH A O +60665 O O B HOH EJ . ? 1.0548 0.9063 0.9170 0.0167 -0.0385 0.0316 591 HOH A O +60666 O O . HOH EJ . ? 0.6360 0.5742 0.5783 -0.0344 0.0007 0.0079 592 HOH A O +60667 O O A HOH EJ . ? 0.5710 0.4967 0.5097 -0.0213 -0.0160 0.0101 593 HOH A O +60668 O O B HOH EJ . ? 0.5718 0.4976 0.5106 -0.0212 -0.0159 0.0100 593 HOH A O +60669 O O . HOH EJ . ? 0.7632 0.7393 0.7365 -0.0395 0.0414 -0.0087 594 HOH A O +60670 O O A HOH EJ . ? 0.7252 0.6184 0.6334 0.0650 -0.0585 0.0079 595 HOH A O +60671 O O B HOH EJ . ? 0.7249 0.6185 0.6336 0.0649 -0.0583 0.0077 595 HOH A O +60672 O O A HOH EJ . ? 0.9627 0.8571 0.8574 -0.0147 0.0011 -0.0032 596 HOH A O +60673 O O B HOH EJ . ? 0.9766 0.8704 0.8707 -0.0144 0.0012 -0.0035 596 HOH A O +60674 O O . HOH EJ . ? 0.7757 0.7650 0.7709 -0.0534 0.0265 -0.0086 597 HOH A O +60675 O O A HOH EJ . ? 0.6334 0.5644 0.5548 -0.0257 0.0363 -0.0043 598 HOH A O +60676 O O B HOH EJ . ? 0.6343 0.5651 0.5555 -0.0256 0.0360 -0.0043 598 HOH A O +60677 O O A HOH EJ . ? 0.7021 0.6435 0.6474 -0.0320 0.0016 0.0063 599 HOH A O +60678 O O B HOH EJ . ? 0.7060 0.6477 0.6517 -0.0321 0.0017 0.0063 599 HOH A O +60679 O O A HOH EJ . ? 0.6035 0.5270 0.5333 -0.0266 -0.0155 0.0109 600 HOH A O +60680 O O B HOH EJ . ? 0.6075 0.5309 0.5373 -0.0266 -0.0155 0.0108 600 HOH A O +60681 O O A HOH EJ . ? 0.9015 0.7441 0.7740 -0.0145 -0.0173 0.0346 601 HOH A O +60682 O O B HOH EJ . ? 0.9036 0.7461 0.7758 -0.0142 -0.0174 0.0347 601 HOH A O +60683 O O A HOH EJ . ? 0.7350 0.5962 0.5696 -0.0196 0.0133 0.0024 602 HOH A O +60684 O O B HOH EJ . ? 0.7360 0.5973 0.5706 -0.0196 0.0132 0.0025 602 HOH A O +60685 O O . HOH EJ . ? 0.7272 0.5917 0.5974 -0.0272 -0.0297 -0.0102 603 HOH A O +60686 O O A HOH EJ . ? 0.7027 0.6087 0.6086 -0.0053 0.0142 -0.0089 604 HOH A O +60687 O O B HOH EJ . ? 0.7044 0.6103 0.6103 -0.0055 0.0140 -0.0088 604 HOH A O +60688 O O A HOH EJ . ? 0.7666 0.6658 0.6668 -0.0080 0.0089 -0.0071 605 HOH A O +60689 O O B HOH EJ . ? 0.7774 0.6770 0.6783 -0.0081 0.0086 -0.0070 605 HOH A O +60690 O O A HOH EJ . ? 0.9608 0.8817 0.8821 -0.0036 0.0177 -0.0099 606 HOH A O +60691 O O B HOH EJ . ? 0.9749 0.8945 0.8952 -0.0033 0.0171 -0.0098 606 HOH A O +60692 O O . HOH EJ . ? 0.9820 0.7896 0.7920 -0.0311 -0.0496 -0.0346 607 HOH A O +60693 O O . HOH EJ . ? 0.7624 0.5811 0.6070 -0.0375 -0.0406 -0.0255 608 HOH A O +60694 O O . HOH EJ . ? 0.9410 0.9456 0.9419 0.0725 -0.0626 -0.0185 609 HOH A O +60695 O O A HOH EJ . ? 0.7172 0.6329 0.6553 0.0389 -0.0348 0.0015 610 HOH A O +60696 O O B HOH EJ . ? 0.7273 0.6428 0.6654 0.0393 -0.0347 0.0014 610 HOH A O +60697 O O A HOH EJ . ? 0.8854 0.7686 0.7499 -0.0269 0.0251 0.0043 611 HOH A O +60698 O O B HOH EJ . ? 0.8948 0.7767 0.7576 -0.0271 0.0255 0.0045 611 HOH A O +60699 O O A HOH EJ . ? 0.8170 0.6861 0.7016 -0.0256 -0.0235 -0.0062 612 HOH A O +60700 O O B HOH EJ . ? 0.8209 0.6900 0.7056 -0.0255 -0.0233 -0.0062 612 HOH A O +60701 O O . HOH EJ . ? 0.6274 0.5466 0.5465 -0.0337 0.0024 0.0106 613 HOH A O +60702 O O A HOH EJ . ? 0.6706 0.5923 0.5981 -0.0209 -0.0049 0.0044 614 HOH A O +60703 O O B HOH EJ . ? 0.6713 0.5926 0.5982 -0.0208 -0.0047 0.0042 614 HOH A O +60704 O O . HOH EJ . ? 0.6544 0.5244 0.5598 -0.0326 -0.0234 0.0028 615 HOH A O +60705 O O . HOH EJ . ? 0.7430 0.6324 0.6227 -0.0265 -0.0363 -0.0034 616 HOH A O +60706 O O A HOH EJ . ? 0.6034 0.5517 0.5565 -0.0294 0.0007 0.0045 617 HOH A O +60707 O O B HOH EJ . ? 0.6062 0.5542 0.5590 -0.0295 0.0007 0.0046 617 HOH A O +60708 O O A HOH EJ . ? 0.7964 0.6863 0.7112 -0.0095 -0.0139 0.0013 618 HOH A O +60709 O O B HOH EJ . ? 0.8006 0.6907 0.7156 -0.0092 -0.0139 0.0012 618 HOH A O +60710 O O . HOH EJ . ? 1.0242 1.0036 1.0043 0.0678 -0.0604 -0.0118 619 HOH A O +60711 O O A HOH EJ . ? 1.1555 0.9572 0.9755 0.0522 -0.0530 0.0335 620 HOH A O +60712 O O B HOH EJ . ? 1.2052 1.0079 1.0252 0.0521 -0.0533 0.0335 620 HOH A O +60713 O O A HOH EJ . ? 0.8616 0.7794 0.7986 0.0075 -0.0076 -0.0041 621 HOH A O +60714 O O B HOH EJ . ? 0.8679 0.7860 0.8053 0.0078 -0.0077 -0.0042 621 HOH A O +60715 O O A HOH EJ . ? 0.7885 0.6750 0.6812 -0.0109 -0.0020 -0.0059 622 HOH A O +60716 O O B HOH EJ . ? 0.7922 0.6787 0.6848 -0.0109 -0.0020 -0.0059 622 HOH A O +60717 O O A HOH EJ . ? 0.6812 0.5840 0.5768 -0.0262 0.0027 0.0067 623 HOH A O +60718 O O B HOH EJ . ? 0.6809 0.5841 0.5770 -0.0262 0.0026 0.0068 623 HOH A O +60719 O O A HOH EJ . ? 0.6641 0.5743 0.5782 -0.0170 -0.0007 0.0002 624 HOH A O +60720 O O B HOH EJ . ? 0.6680 0.5780 0.5819 -0.0170 -0.0009 0.0003 624 HOH A O +60721 O O . HOH EJ . ? 1.0141 1.0012 0.9947 0.0318 -0.0604 -0.0066 625 HOH A O +60722 O O . HOH EJ . ? 0.8858 0.8562 0.8530 -0.0449 0.0463 -0.0076 626 HOH A O +60723 O O A HOH EJ . ? 0.8673 0.6862 0.7409 -0.0401 -0.0069 0.0315 627 HOH A O +60724 O O B HOH EJ . ? 0.8739 0.6924 0.7474 -0.0407 -0.0066 0.0316 627 HOH A O +60725 O O . HOH EJ . ? 0.6795 0.5484 0.5870 -0.0366 -0.0236 0.0044 628 HOH A O +60726 O O . HOH EJ . ? 1.2134 1.0572 1.0756 -0.0287 -0.0005 0.0428 629 HOH A O +60727 O O A HOH EJ . ? 0.7086 0.6260 0.6315 -0.0178 -0.0021 0.0017 630 HOH A O +60728 O O B HOH EJ . ? 0.7161 0.6335 0.6389 -0.0180 -0.0021 0.0018 630 HOH A O +60729 O O . HOH EJ . ? 1.1449 0.9971 0.9932 -0.0330 -0.0499 -0.0220 631 HOH A O +60730 O O . HOH EJ . ? 0.8005 0.7594 0.7630 0.0742 -0.0627 -0.0083 632 HOH A O +60731 O O A HOH EJ . ? 0.6190 0.5458 0.5373 -0.0339 0.0360 -0.0003 633 HOH A O +60732 O O B HOH EJ . ? 0.6212 0.5480 0.5395 -0.0341 0.0362 -0.0002 633 HOH A O +60733 O O A HOH EJ . ? 1.0507 0.8069 0.8799 0.0107 -0.0232 0.0228 634 HOH A O +60734 O O B HOH EJ . ? 1.0464 0.8034 0.8763 0.0109 -0.0233 0.0226 634 HOH A O +60735 O O A HOH EJ . ? 1.3011 1.1015 1.1222 0.0268 -0.0376 0.0390 635 HOH A O +60736 O O B HOH EJ . ? 1.3171 1.1161 1.1373 0.0269 -0.0375 0.0392 635 HOH A O +60737 O O . HOH EJ . ? 1.2411 1.1240 1.1310 -0.0403 -0.0458 -0.0126 636 HOH A O +60738 O O . HOH EJ . ? 1.2035 1.0433 1.0467 -0.0001 -0.0228 0.0403 637 HOH A O +60739 O O A HOH EJ . ? 1.2231 1.0083 1.0592 0.0193 -0.0294 0.0305 638 HOH A O +60740 O O B HOH EJ . ? 1.2404 1.0263 1.0773 0.0182 -0.0290 0.0305 638 HOH A O +60741 O O A HOH EJ . ? 0.6672 0.6284 0.6219 -0.0258 0.0398 -0.0092 639 HOH A O +60742 O O B HOH EJ . ? 0.6685 0.6296 0.6232 -0.0258 0.0397 -0.0091 639 HOH A O +60743 O O A HOH EJ . ? 0.8741 0.7579 0.7559 -0.0173 -0.0055 -0.0032 640 HOH A O +60744 O O B HOH EJ . ? 0.8813 0.7661 0.7643 -0.0170 -0.0047 -0.0032 640 HOH A O +60745 O O . HOH EJ . ? 1.5543 1.5813 1.5776 0.1102 -0.0596 -0.0328 641 HOH A O +60746 O O . HOH EJ . ? 0.6435 0.5992 0.6038 -0.0305 0.0040 0.0023 642 HOH A O +60747 O O . HOH FJ . ? 0.9481 0.8726 0.8204 -0.0032 -0.0890 -0.0143 701 HOH B O +60748 O O . HOH FJ . ? 0.8761 0.8083 0.7630 0.0000 -0.0760 -0.0045 702 HOH B O +60749 O O . HOH FJ . ? 1.0398 0.9916 0.9868 -0.0285 -0.0322 0.0113 703 HOH B O +60750 O O . HOH FJ . ? 1.5050 1.3784 1.3152 0.0056 -0.0817 -0.0100 704 HOH B O +60751 O O . HOH FJ . ? 0.9146 0.8802 0.8521 0.0199 -0.0149 0.0138 705 HOH B O +60752 O O . HOH FJ . ? 0.9586 0.9491 0.9050 0.0157 -0.0703 -0.0010 706 HOH B O +60753 O O . HOH FJ . ? 1.2060 1.1641 1.0948 0.0360 -0.1030 -0.0085 707 HOH B O +60754 O O . HOH FJ . ? 0.7229 0.6680 0.6325 -0.0004 -0.0622 0.0032 708 HOH B O +60755 O O . HOH FJ . ? 1.0296 1.0969 1.0678 -0.0200 -0.0389 -0.0055 709 HOH B O +60756 O O . HOH FJ . ? 0.6471 0.5516 0.5790 -0.0699 0.0188 0.0323 710 HOH B O +60757 O O . HOH FJ . ? 0.9825 0.8999 0.8486 0.0339 -0.0731 0.0082 711 HOH B O +60758 O O . HOH FJ . ? 0.6853 0.6097 0.5923 -0.0102 -0.0354 0.0147 712 HOH B O +60759 O O . HOH FJ . ? 1.0657 0.9362 0.9434 -0.0453 0.0221 0.0443 713 HOH B O +60760 O O . HOH FJ . ? 1.1732 0.8764 0.9664 -0.0450 0.0064 0.0438 714 HOH B O +60761 O O . HOH FJ . ? 0.8501 0.7988 0.7889 -0.0217 -0.0335 0.0124 715 HOH B O +60762 O O . HOH FJ . ? 0.6616 0.6501 0.6578 -0.0581 -0.0136 0.0102 716 HOH B O +60763 O O . HOH FJ . ? 0.6475 0.6693 0.6521 -0.0285 -0.0366 0.0018 717 HOH B O +60764 O O . HOH FJ . ? 0.6571 0.6053 0.6024 -0.0263 -0.0248 0.0162 718 HOH B O +60765 O O . HOH FJ . ? 0.7473 0.7199 0.7121 -0.0295 -0.0341 0.0091 719 HOH B O +60766 O O . HOH FJ . ? 0.7027 0.6370 0.6329 -0.0272 -0.0305 0.0114 720 HOH B O +60767 O O . HOH FJ . ? 0.9938 0.9334 0.9256 -0.0168 -0.0239 0.0181 721 HOH B O +60768 O O . HOH FJ . ? 0.8705 0.7209 0.7097 -0.0389 0.0371 0.0514 722 HOH B O +60769 O O . HOH FJ . ? 0.7399 0.6973 0.6833 -0.0103 -0.0260 0.0164 723 HOH B O +60770 O O . HOH FJ . ? 0.9349 0.8709 0.8677 -0.0231 -0.0223 0.0178 724 HOH B O +60771 O O . HOH FJ . ? 0.6745 0.6750 0.6805 -0.0590 -0.0166 0.0068 725 HOH B O +60772 O O . HOH FJ . ? 0.7791 0.6566 0.6724 -0.0837 0.0644 0.0475 726 HOH B O +60773 O O . HOH FJ . ? 0.6918 0.6736 0.6509 -0.0022 -0.0336 0.0115 727 HOH B O +60774 O O . HOH FJ . ? 0.6736 0.6033 0.5955 -0.0249 -0.0327 0.0104 728 HOH B O +60775 O O . HOH FJ . ? 0.9580 0.8504 0.8841 -0.0998 0.0554 0.0390 729 HOH B O +60776 O O . HOH FJ . ? 0.9804 0.9425 0.9290 -0.0351 -0.0586 -0.0070 730 HOH B O +60777 O O . HOH FJ . ? 0.6889 0.5557 0.5474 -0.0371 0.0276 0.0470 731 HOH B O +60778 O O . HOH FJ . ? 1.1038 0.9829 0.9405 -0.0120 -0.0650 -0.0107 732 HOH B O +60779 O O . HOH FJ . ? 0.6894 0.6769 0.6749 -0.0461 -0.0399 0.0000 733 HOH B O +60780 O O . HOH FJ . ? 0.6081 0.6134 0.6056 -0.0395 -0.0095 0.0130 734 HOH B O +60781 O O . HOH FJ . ? 0.6066 0.5652 0.5465 -0.0083 -0.0373 0.0125 735 HOH B O +60782 O O . HOH FJ . ? 1.1413 0.9270 0.9939 -0.0809 0.0285 0.0445 736 HOH B O +60783 O O . HOH FJ . ? 0.8929 0.7661 0.7422 -0.0174 -0.0180 0.0122 737 HOH B O +60784 O O . HOH FJ . ? 1.0607 0.9179 0.8837 -0.0137 -0.0255 0.0023 738 HOH B O +60785 O O . HOH FJ . ? 1.0035 0.8479 0.8433 -0.0336 0.0232 0.0501 739 HOH B O +60786 O O . HOH FJ . ? 0.8742 0.8140 0.7917 -0.0234 -0.0594 -0.0041 740 HOH B O +60787 O O . HOH FJ . ? 0.7884 0.7816 0.7586 -0.0111 -0.0432 0.0059 741 HOH B O +60788 O O . HOH FJ . ? 1.0035 1.1085 1.1077 -0.0889 -0.0129 -0.0170 742 HOH B O +60789 O O . HOH FJ . ? 0.8531 0.7535 0.7867 -0.0963 0.0481 0.0363 743 HOH B O +60790 O O . HOH FJ . ? 0.8045 0.8935 0.8859 -0.0702 -0.0287 -0.0155 744 HOH B O +60791 O O . HOH FJ . ? 0.8195 0.6684 0.6974 -0.0800 0.0496 0.0483 745 HOH B O +60792 O O . HOH FJ . ? 0.7466 0.7533 0.7609 -0.0654 -0.0167 0.0041 746 HOH B O +60793 O O . HOH FJ . ? 0.9528 0.8101 0.8174 -0.0031 -0.0244 0.0360 747 HOH B O +60794 O O . HOH FJ . ? 0.8274 0.8811 0.9003 -0.1064 -0.0046 -0.0102 748 HOH B O +60795 O O . HOH FJ . ? 0.7131 0.6946 0.6838 -0.0242 -0.0255 0.0130 749 HOH B O +60796 O O . HOH FJ . ? 0.6835 0.5987 0.5750 -0.0182 -0.0496 0.0016 750 HOH B O +60797 O O . HOH FJ . ? 0.7548 0.5951 0.6249 -0.0454 0.0096 0.0429 751 HOH B O +60798 O O . HOH FJ . ? 0.9185 0.9190 0.8926 0.0006 -0.0320 0.0093 752 HOH B O +60799 O O . HOH FJ . ? 0.6158 0.5495 0.5472 -0.0300 -0.0326 0.0091 753 HOH B O +60800 O O . HOH FJ . ? 0.7723 0.8114 0.7998 -0.0437 -0.0270 -0.0001 754 HOH B O +60801 O O . HOH FJ . ? 1.2643 1.2234 1.1731 0.0016 -0.0888 -0.0116 755 HOH B O +60802 O O . HOH FJ . ? 0.5636 0.5564 0.5590 -0.0512 -0.0148 0.0108 756 HOH B O +60803 O O . HOH FJ . ? 0.5967 0.5510 0.5471 -0.0357 -0.0414 0.0034 757 HOH B O +60804 O O . HOH FJ . ? 0.7389 0.7524 0.7307 -0.0332 -0.0649 -0.0122 758 HOH B O +60805 O O . HOH FJ . ? 0.9116 0.9564 0.9247 -0.0107 0.0016 0.0092 759 HOH B O +60806 O O . HOH FJ . ? 0.9328 0.8451 0.8262 -0.0148 -0.0355 0.0119 760 HOH B O +60807 O O . HOH FJ . ? 0.7969 0.7217 0.6972 -0.0051 -0.0440 0.0119 761 HOH B O +60808 O O . HOH FJ . ? 0.6326 0.6117 0.5923 -0.0257 -0.0560 -0.0025 762 HOH B O +60809 O O . HOH FJ . ? 0.8500 0.8226 0.8028 -0.0025 -0.0213 0.0155 763 HOH B O +60810 O O . HOH FJ . ? 0.7002 0.6729 0.6400 -0.0099 -0.0672 -0.0037 764 HOH B O +60811 O O . HOH FJ . ? 0.8185 0.6727 0.6995 -0.0727 0.0410 0.0466 765 HOH B O +60812 O O . HOH FJ . ? 0.5679 0.5010 0.5022 -0.0296 -0.0263 0.0128 766 HOH B O +60813 O O . HOH FJ . ? 0.7473 0.6396 0.6241 -0.0356 0.0296 0.0427 767 HOH B O +60814 O O . HOH FJ . ? 0.9610 0.8113 0.8149 -0.0307 0.0104 0.0462 768 HOH B O +60815 O O . HOH FJ . ? 0.6073 0.5893 0.5941 -0.0502 -0.0175 0.0114 769 HOH B O +60816 O O . HOH FJ . ? 0.8777 0.7721 0.7485 -0.0170 -0.0374 0.0053 770 HOH B O +60817 O O . HOH FJ . ? 1.4921 1.4461 1.4294 -0.0021 -0.0232 0.0169 771 HOH B O +60818 O O . HOH FJ . ? 0.7328 0.7040 0.6932 -0.0300 -0.0435 0.0037 772 HOH B O +60819 O O . HOH FJ . ? 0.7935 0.7211 0.7178 -0.0233 -0.0213 0.0175 773 HOH B O +60820 O O . HOH FJ . ? 0.6863 0.6312 0.6264 -0.0351 -0.0441 0.0014 774 HOH B O +60821 O O . HOH FJ . ? 0.6612 0.6060 0.5964 -0.0204 -0.0315 0.0138 775 HOH B O +60822 O O . HOH FJ . ? 0.6918 0.6620 0.6475 -0.0245 -0.0446 0.0048 776 HOH B O +60823 O O . HOH FJ . ? 0.9090 0.8208 0.8118 -0.0157 -0.0239 0.0185 777 HOH B O +60824 O O . HOH FJ . ? 0.6926 0.6212 0.6083 -0.0097 -0.0294 0.0174 778 HOH B O +60825 O O . HOH FJ . ? 0.5883 0.5109 0.5110 -0.0302 -0.0299 0.0080 779 HOH B O +60826 O O . HOH FJ . ? 0.7080 0.7281 0.7321 -0.0644 -0.0188 0.0014 780 HOH B O +60827 O O . HOH FJ . ? 0.6297 0.5860 0.5805 -0.0252 -0.0259 0.0155 781 HOH B O +60828 O O . HOH FJ . ? 0.7591 0.6262 0.6203 -0.0264 0.0082 0.0433 782 HOH B O +60829 O O . HOH FJ . ? 0.8867 0.9065 0.8543 0.0096 -0.0892 -0.0140 783 HOH B O +60830 O O A HOH FJ . ? 1.0125 0.7574 0.8109 -0.0008 -0.0150 0.0455 784 HOH B O +60831 O O B HOH FJ . ? 1.0046 0.7506 0.8038 -0.0011 -0.0149 0.0454 784 HOH B O +60832 O O . HOH FJ . ? 0.8187 0.6805 0.6426 -0.0072 -0.0347 0.0091 785 HOH B O +60833 O O . HOH FJ . ? 0.8271 0.7604 0.7242 -0.0075 -0.0663 -0.0019 786 HOH B O +60834 O O . HOH FJ . ? 1.1048 1.0097 0.9980 -0.0119 -0.0257 0.0188 787 HOH B O +60835 O O . HOH FJ . ? 0.6631 0.6011 0.5770 -0.0102 -0.0483 0.0078 788 HOH B O +60836 O O . HOH FJ . ? 0.6410 0.5662 0.5608 -0.0253 -0.0275 0.0122 789 HOH B O +60837 O O . HOH FJ . ? 0.9120 0.7891 0.7350 0.0015 -0.0699 -0.0045 790 HOH B O +60838 O O . HOH FJ . ? 0.5947 0.5625 0.5633 -0.0410 -0.0331 0.0068 791 HOH B O +60839 O O . HOH FJ . ? 0.9098 0.8647 0.8535 -0.0146 -0.0247 0.0170 792 HOH B O +60840 O O . HOH FJ . ? 0.7558 0.7843 0.7742 -0.0423 -0.0206 0.0045 793 HOH B O +60841 O O . HOH FJ . ? 0.6124 0.5735 0.5647 -0.0221 -0.0278 0.0147 794 HOH B O +60842 O O . HOH FJ . ? 1.1158 1.0186 0.9612 0.0172 -0.0792 0.0005 795 HOH B O +60843 O O . HOH FJ . ? 0.5993 0.5439 0.5428 -0.0283 -0.0258 0.0151 796 HOH B O +60844 O O . HOH FJ . ? 0.7795 0.7701 0.7468 -0.0125 -0.0469 0.0045 797 HOH B O +60845 O O . HOH FJ . ? 0.9878 0.9431 0.8968 0.0003 -0.0820 -0.0080 798 HOH B O +60846 O O . HOH FJ . ? 1.0071 0.9208 0.9076 0.0088 -0.0196 0.0175 799 HOH B O +60847 O O . HOH FJ . ? 0.6564 0.6555 0.6351 -0.0165 -0.0400 0.0057 800 HOH B O +60848 O O . HOH FJ . ? 0.7882 0.7949 0.7591 0.0043 -0.0579 0.0003 801 HOH B O +60849 O O . HOH FJ . ? 0.6205 0.5827 0.5758 -0.0239 -0.0188 0.0183 802 HOH B O +60850 O O . HOH FJ . ? 1.0200 0.8903 0.8631 -0.0177 0.0138 0.0425 803 HOH B O +60851 O O . HOH FJ . ? 1.4053 1.4904 1.4856 -0.0752 -0.0367 -0.0196 804 HOH B O +60852 O O . HOH FJ . ? 0.9038 0.9824 0.9886 -0.0922 -0.0260 -0.0189 805 HOH B O +60853 O O . HOH FJ . ? 0.9912 0.8483 0.8117 -0.0128 -0.0356 -0.0024 806 HOH B O +60854 O O . HOH FJ . ? 1.0663 0.8677 0.9141 -0.0535 0.0158 0.0464 807 HOH B O +60855 O O . HOH FJ . ? 0.6394 0.6354 0.6150 -0.0115 -0.0313 0.0099 808 HOH B O +60856 O O . HOH FJ . ? 0.9783 0.9172 0.8807 -0.0044 -0.0654 0.0000 809 HOH B O +60857 O O . HOH FJ . ? 1.1608 0.9814 0.9614 -0.0304 0.0385 0.0568 810 HOH B O +60858 O O . HOH FJ . ? 1.0514 0.8456 0.8799 -0.0216 -0.0035 0.0469 811 HOH B O +60859 O O . HOH FJ . ? 0.6727 0.6145 0.6143 -0.0420 0.0080 0.0293 812 HOH B O +60860 O O . HOH FJ . ? 0.6689 0.6141 0.6153 -0.0328 -0.0290 0.0119 813 HOH B O +60861 O O . HOH FJ . ? 1.1731 1.0302 0.9789 0.0212 -0.0585 0.0141 814 HOH B O +60862 O O . HOH FJ . ? 1.0438 0.9349 0.9642 -0.1005 0.0640 0.0417 815 HOH B O +60863 O O . HOH FJ . ? 1.0326 0.8728 0.8866 -0.0729 0.0611 0.0544 816 HOH B O +60864 O O . HOH FJ . ? 0.8577 0.9036 0.8892 -0.0417 -0.0336 -0.0035 817 HOH B O +60865 O O . HOH FJ . ? 0.9365 0.9619 0.9338 -0.0294 -0.0732 -0.0166 818 HOH B O +60866 O O . HOH FJ . ? 1.0484 0.9694 0.9103 0.0286 -0.0841 0.0015 819 HOH B O +60867 O O . HOH FJ . ? 0.8645 0.8949 0.8675 -0.0111 -0.0395 0.0017 820 HOH B O +60868 O O . HOH FJ . ? 1.0801 0.9586 0.9009 0.0340 -0.0737 0.0104 821 HOH B O +60869 O O . HOH FJ . ? 0.6579 0.5944 0.5940 -0.0305 -0.0301 0.0108 822 HOH B O +60870 O O . HOH FJ . ? 1.0277 0.9690 0.9277 -0.0027 -0.0730 -0.0038 823 HOH B O +60871 O O . HOH FJ . ? 1.0154 0.9579 0.9263 -0.0133 -0.0651 -0.0032 824 HOH B O +60872 O O . HOH FJ . ? 0.9767 1.0282 0.9965 -0.0197 -0.0616 -0.0117 825 HOH B O +60873 O O . HOH FJ . ? 0.7666 0.7977 0.7707 -0.0110 -0.0108 0.0093 826 HOH B O +60874 O O . HOH FJ . ? 0.7550 0.6309 0.6691 -0.0738 0.0199 0.0349 827 HOH B O +60875 O O . HOH FJ . ? 0.7865 0.7620 0.7463 -0.0267 -0.0498 0.0009 828 HOH B O +60876 O O . HOH FJ . ? 0.8255 0.6950 0.6849 -0.0216 0.0036 0.0419 829 HOH B O +60877 O O . HOH FJ . ? 0.7760 0.6476 0.6100 -0.0066 -0.0411 0.0073 830 HOH B O +60878 O O . HOH FJ . ? 0.7893 0.8103 0.7964 -0.0350 -0.0372 0.0004 831 HOH B O +60879 O O . HOH FJ . ? 0.8158 0.7598 0.7308 -0.0129 -0.0602 -0.0001 832 HOH B O +60880 O O . HOH FJ . ? 0.7511 0.7820 0.7872 -0.0710 -0.0176 -0.0016 833 HOH B O +60881 O O . HOH FJ . ? 0.9236 0.9378 0.9237 -0.0352 -0.0446 -0.0022 834 HOH B O +60882 O O . HOH FJ . ? 1.0417 0.9188 0.8894 -0.0067 -0.0339 0.0144 835 HOH B O +60883 O O . HOH FJ . ? 1.0011 1.1043 1.0859 -0.0536 -0.0227 -0.0121 836 HOH B O +60884 O O . HOH FJ . ? 0.6123 0.5460 0.5491 -0.0289 -0.0224 0.0153 837 HOH B O +60885 O O . HOH FJ . ? 0.9305 0.9554 0.9398 -0.0348 -0.0422 -0.0024 838 HOH B O +60886 O O . HOH FJ . ? 1.1398 1.2309 1.2193 -0.0629 -0.0231 -0.0119 839 HOH B O +60887 O O . HOH FJ . ? 0.9758 0.8438 0.8912 -0.1240 0.0766 0.0427 840 HOH B O +60888 O O . HOH FJ . ? 0.6918 0.6289 0.6284 -0.0367 -0.0404 0.0025 841 HOH B O +60889 O O . HOH FJ . ? 1.1889 1.0308 0.9743 0.0002 -0.0522 -0.0017 842 HOH B O +60890 O O . HOH FJ . ? 0.9124 0.9205 0.8968 -0.0113 -0.0385 0.0056 843 HOH B O +60891 O O . HOH FJ . ? 0.8064 0.7663 0.7490 -0.0271 -0.0554 -0.0022 844 HOH B O +60892 O O . HOH FJ . ? 1.0983 1.0970 1.0556 0.0138 -0.0649 -0.0001 845 HOH B O +60893 O O . HOH FJ . ? 0.8330 0.7845 0.7719 -0.0123 -0.0277 0.0164 846 HOH B O +60894 O O . HOH FJ . ? 1.0878 1.0649 1.0177 0.0212 -0.0735 0.0001 847 HOH B O +60895 O O . HOH FJ . ? 1.0795 1.1816 1.1506 -0.0324 0.0068 -0.0010 848 HOH B O +60896 O O . HOH FJ . ? 0.9164 0.6457 0.7394 -0.0449 -0.0044 0.0288 849 HOH B O +60897 O O . HOH FJ . ? 0.8073 0.6867 0.6677 -0.0471 0.0560 0.0491 850 HOH B O +60898 O O . HOH FJ . ? 1.1227 0.9837 0.9558 -0.0165 -0.0203 -0.0002 851 HOH B O +60899 O O A HOH FJ . ? 0.9400 0.7756 0.7994 -0.0152 -0.0136 0.0394 852 HOH B O +60900 O O B HOH FJ . ? 0.9412 0.7774 0.8010 -0.0150 -0.0139 0.0393 852 HOH B O +60901 O O . HOH FJ . ? 0.8643 0.7997 0.7989 -0.0256 -0.0213 0.0175 853 HOH B O +60902 O O . HOH FJ . ? 1.0532 0.9620 0.9450 -0.0032 -0.0322 0.0182 854 HOH B O +60903 O O . HOH FJ . ? 0.5681 0.5280 0.5233 -0.0269 -0.0168 0.0193 855 HOH B O +60904 O O . HOH FJ . ? 1.1037 1.0354 1.0290 -0.0175 -0.0228 0.0185 856 HOH B O +60905 O O . HOH FJ . ? 1.2456 1.1593 1.1525 -0.0197 -0.0215 0.0181 857 HOH B O +60906 O O . HOH FJ . ? 0.8231 0.8390 0.8143 -0.0106 -0.0359 0.0054 858 HOH B O +60907 O O . HOH FJ . ? 0.7389 0.6536 0.6390 -0.0208 -0.0343 0.0090 859 HOH B O +60908 O O . HOH FJ . ? 1.2162 1.0253 1.0139 -0.0417 0.0502 0.0606 860 HOH B O +60909 O O . HOH FJ . ? 1.0056 0.9724 0.9212 0.0053 -0.0887 -0.0105 861 HOH B O +60910 O O . HOH FJ . ? 0.8903 0.8425 0.8102 -0.0086 -0.0636 -0.0005 862 HOH B O +60911 O O . HOH FJ . ? 1.2266 1.1637 1.1438 0.0029 -0.0352 0.0160 863 HOH B O +60912 O O . HOH FJ . ? 0.8600 0.8018 0.7684 -0.0054 -0.0615 0.0019 864 HOH B O +60913 O O . HOH FJ . ? 0.7143 0.7201 0.6991 -0.0143 -0.0330 0.0076 865 HOH B O +60914 O O . HOH FJ . ? 0.8860 0.7999 0.7809 -0.0168 -0.0377 0.0095 866 HOH B O +60915 O O . HOH FJ . ? 0.9346 0.8475 0.8395 -0.0200 -0.0222 0.0173 867 HOH B O +60916 O O . HOH FJ . ? 0.8153 0.8710 0.8416 -0.0129 -0.0260 0.0013 868 HOH B O +60917 O O . HOH FJ . ? 1.2226 1.0559 1.0015 0.0190 -0.0522 0.0158 869 HOH B O +60918 O O . HOH FJ . ? 0.9644 0.9327 0.8975 -0.0101 -0.0717 -0.0061 870 HOH B O +60919 O O . HOH FJ . ? 1.0798 0.9565 0.9463 -0.0192 -0.0021 0.0393 871 HOH B O +60920 O O . HOH FJ . ? 1.0045 0.9781 0.9774 -0.0482 -0.0475 -0.0045 872 HOH B O +60921 O O . HOH FJ . ? 1.0683 0.9104 0.8731 -0.0138 -0.0101 0.0087 873 HOH B O +60922 O O . HOH FJ . ? 1.3741 1.1826 1.2113 -0.0258 -0.0005 0.0467 874 HOH B O +60923 O O . HOH FJ . ? 1.1617 1.1256 1.0516 0.0353 -0.1113 -0.0133 875 HOH B O +60924 O O . HOH FJ . ? 0.8676 0.7976 0.7911 -0.0244 -0.0294 0.0126 876 HOH B O +60925 O O . HOH FJ . ? 0.9159 0.8687 0.8535 -0.0078 -0.0291 0.0160 877 HOH B O +60926 O O . HOH FJ . ? 1.2099 1.2557 1.2256 -0.0097 -0.0103 0.0068 878 HOH B O +60927 O O . HOH FJ . ? 1.3222 1.3457 1.3105 0.0010 -0.0548 -0.0013 879 HOH B O +60928 O O . HOH FJ . ? 0.7106 0.7042 0.6810 -0.0048 -0.0327 0.0101 880 HOH B O +60929 O O . HOH FJ . ? 1.1812 1.1135 1.0931 0.0188 -0.0211 0.0159 881 HOH B O +60930 O O . HOH FJ . ? 1.1479 1.0920 1.0826 -0.0147 -0.0240 0.0180 882 HOH B O +60931 O O . HOH FJ . ? 1.4919 1.2700 1.3346 -0.0722 0.0251 0.0463 883 HOH B O +60932 O O . HOH FJ . ? 0.8609 0.7121 0.7051 -0.0379 0.0307 0.0502 884 HOH B O +60933 O O . HOH FJ . ? 1.2224 1.0518 1.0019 -0.0055 -0.0270 0.0042 885 HOH B O +60934 O O . HOH FJ . ? 1.0213 0.8816 0.8508 -0.0154 -0.0250 0.0003 886 HOH B O +60935 O O . HOH FJ . ? 1.4722 1.4117 1.3924 0.0036 -0.0333 0.0162 887 HOH B O +60936 O O A HOH GJ . ? 0.6781 0.6360 0.6363 -0.0015 0.0221 -0.0131 601 HOH C O +60937 O O B HOH GJ . ? 0.6778 0.6362 0.6366 -0.0014 0.0220 -0.0132 601 HOH C O +60938 O O . HOH GJ . ? 0.9048 0.7884 0.7944 0.0884 -0.0760 0.0083 602 HOH C O +60939 O O . HOH GJ . ? 1.2519 1.0753 1.0256 -0.0032 0.0517 -0.0140 603 HOH C O +60940 O O . HOH GJ . ? 0.9299 0.8858 0.8734 -0.0151 0.0508 -0.0147 604 HOH C O +60941 O O . HOH GJ . ? 0.9208 0.7409 0.7506 -0.0184 -0.0251 -0.0229 605 HOH C O +60942 O O A HOH GJ . ? 0.7254 0.6617 0.6540 -0.0119 0.0337 -0.0104 606 HOH C O +60943 O O B HOH GJ . ? 0.7282 0.6642 0.6564 -0.0118 0.0339 -0.0104 606 HOH C O +60944 O O A HOH GJ . ? 0.9860 0.8469 0.8390 -0.0143 -0.0072 -0.0093 607 HOH C O +60945 O O B HOH GJ . ? 0.9866 0.8479 0.8401 -0.0144 -0.0073 -0.0092 607 HOH C O +60946 O O . HOH GJ . ? 1.1232 0.9423 0.8987 -0.0036 0.0264 -0.0139 608 HOH C O +60947 O O . HOH GJ . ? 0.8381 0.7304 0.7327 0.0366 0.0328 -0.0300 609 HOH C O +60948 O O . HOH GJ . ? 0.9460 0.7755 0.7511 0.0031 0.0210 -0.0218 610 HOH C O +60949 O O . HOH GJ . ? 0.9128 0.7481 0.7920 0.0906 -0.0441 -0.0004 611 HOH C O +60950 O O . HOH GJ . ? 1.2220 1.1010 1.0722 0.0112 0.0609 -0.0253 612 HOH C O +60951 O O . HOH GJ . ? 0.9626 0.8431 0.8232 0.0111 0.0471 -0.0236 613 HOH C O +60952 O O . HOH GJ . ? 0.7178 0.6124 0.5952 0.0089 0.0463 -0.0219 614 HOH C O +60953 O O . HOH GJ . ? 1.0036 0.7976 0.8102 0.0156 0.0042 -0.0331 615 HOH C O +60954 O O A HOH GJ . ? 0.7107 0.5777 0.5917 -0.0198 -0.0176 -0.0070 616 HOH C O +60955 O O B HOH GJ . ? 0.7092 0.5760 0.5900 -0.0196 -0.0175 -0.0071 616 HOH C O +60956 O O A HOH GJ . ? 0.7974 0.6684 0.6629 -0.0187 -0.0134 -0.0057 617 HOH C O +60957 O O B HOH GJ . ? 0.8013 0.6719 0.6663 -0.0187 -0.0136 -0.0057 617 HOH C O +60958 O O . HOH GJ . ? 1.1713 1.1274 1.1426 0.1336 -0.0471 -0.0296 618 HOH C O +60959 O O . HOH GJ . ? 1.4754 1.2805 1.2270 -0.0032 0.0326 -0.0122 619 HOH C O +60960 O O A HOH GJ . ? 1.2241 1.1071 1.0896 -0.0273 0.0208 0.0057 620 HOH C O +60961 O O B HOH GJ . ? 1.2642 1.1473 1.1298 -0.0277 0.0215 0.0059 620 HOH C O +60962 O O . HOH GJ . ? 0.8628 0.7081 0.7538 0.1237 -0.0302 -0.0215 621 HOH C O +60963 O O . HOH GJ . ? 0.8655 0.6881 0.7391 0.1430 -0.0364 -0.0218 622 HOH C O +60964 O O . HOH GJ . ? 0.7800 0.6208 0.6312 0.0101 0.0067 -0.0220 623 HOH C O +60965 O O . HOH GJ . ? 1.2895 1.0044 1.0885 0.1139 -0.0318 -0.0093 624 HOH C O +60966 O O . HOH GJ . ? 0.7825 0.6071 0.6319 0.0262 0.0062 -0.0264 625 HOH C O +60967 O O . HOH GJ . ? 0.8972 0.6976 0.7162 0.0166 0.0032 -0.0307 626 HOH C O +60968 O O . HOH GJ . ? 1.0609 1.0015 0.9750 -0.0089 0.0783 -0.0212 627 HOH C O +60969 O O . HOH GJ . ? 1.0463 0.9253 0.9124 0.0649 0.0643 -0.0484 628 HOH C O +60970 O O . HOH GJ . ? 1.0773 0.9124 0.9015 0.0275 0.0359 -0.0336 629 HOH C O +60971 O O . HOH GJ . ? 0.7775 0.7435 0.7293 -0.0367 0.0697 -0.0130 630 HOH C O +60972 O O . HOH GJ . ? 0.6456 0.5841 0.6055 0.0842 -0.0141 -0.0256 631 HOH C O +60973 O O . HOH GJ . ? 0.7112 0.6883 0.6998 0.0775 -0.0338 -0.0211 632 HOH C O +60974 O O . HOH GJ . ? 0.9657 0.8833 0.9097 0.1605 -0.0369 -0.0363 633 HOH C O +60975 O O A HOH GJ . ? 0.7182 0.6091 0.5982 -0.0142 0.0166 -0.0051 634 HOH C O +60976 O O B HOH GJ . ? 0.7214 0.6121 0.6014 -0.0142 0.0161 -0.0051 634 HOH C O +60977 O O . HOH GJ . ? 0.7607 0.6732 0.6585 0.0291 0.0558 -0.0321 635 HOH C O +60978 O O . HOH GJ . ? 0.7153 0.5848 0.5574 -0.0280 0.0441 0.0027 636 HOH C O +60979 O O . HOH GJ . ? 0.8824 0.8019 0.7726 -0.0320 0.0878 -0.0108 637 HOH C O +60980 O O . HOH GJ . ? 0.7827 0.8112 0.8136 0.1239 -0.0141 -0.0479 638 HOH C O +60981 O O A HOH GJ . ? 0.6393 0.5321 0.5154 -0.0268 0.0294 0.0021 639 HOH C O +60982 O O B HOH GJ . ? 0.6309 0.5247 0.5082 -0.0270 0.0297 0.0020 639 HOH C O +60983 O O . HOH GJ . ? 0.7588 0.7071 0.7045 0.0210 -0.0538 0.0061 640 HOH C O +60984 O O A HOH GJ . ? 0.8466 0.6953 0.6853 -0.0069 0.0023 -0.0148 641 HOH C O +60985 O O B HOH GJ . ? 0.8489 0.6973 0.6874 -0.0070 0.0021 -0.0149 641 HOH C O +60986 O O . HOH GJ . ? 0.9784 0.8059 0.8098 0.0032 0.0021 -0.0233 642 HOH C O +60987 O O . HOH GJ . ? 0.9820 0.7980 0.8024 -0.0060 -0.0107 -0.0242 643 HOH C O +60988 O O . HOH GJ . ? 0.9179 0.7533 0.7569 -0.0222 -0.0288 -0.0192 644 HOH C O +60989 O O . HOH GJ . ? 0.7808 0.7238 0.7019 0.0261 0.0721 -0.0347 645 HOH C O +60990 O O . HOH GJ . ? 0.9455 0.7663 0.7591 0.0259 0.0285 -0.0342 646 HOH C O +60991 O O . HOH GJ . ? 0.7680 0.5909 0.6274 -0.0289 -0.0279 -0.0161 647 HOH C O +60992 O O A HOH GJ . ? 0.9057 0.7668 0.7659 -0.0055 0.0030 -0.0134 648 HOH C O +60993 O O B HOH GJ . ? 0.9458 0.8072 0.8055 -0.0054 0.0038 -0.0134 648 HOH C O +60994 O O . HOH GJ . ? 0.7510 0.5926 0.5565 -0.0207 0.0279 0.0046 649 HOH C O +60995 O O A HOH GJ . ? 0.7379 0.6106 0.6091 0.0052 0.0171 -0.0173 650 HOH C O +60996 O O B HOH GJ . ? 0.7390 0.6122 0.6107 0.0052 0.0171 -0.0172 650 HOH C O +60997 O O A HOH GJ . ? 0.8681 0.7151 0.7341 0.0580 -0.0566 0.0205 651 HOH C O +60998 O O B HOH GJ . ? 0.8603 0.7090 0.7277 0.0579 -0.0567 0.0202 651 HOH C O +60999 O O . HOH GJ . ? 0.6904 0.5880 0.5736 0.0151 0.0463 -0.0247 652 HOH C O +61000 O O . HOH GJ . ? 0.7973 0.6743 0.6491 -0.0332 0.0520 0.0031 653 HOH C O +61001 O O . HOH GJ . ? 0.9918 0.7923 0.8493 0.1151 -0.0379 -0.0100 654 HOH C O +61002 O O . HOH GJ . ? 0.8809 0.7264 0.7686 0.0819 -0.0052 -0.0257 655 HOH C O +61003 O O . HOH GJ . ? 0.8877 0.6564 0.7234 0.1383 -0.0215 -0.0276 656 HOH C O +61004 O O A HOH GJ . ? 0.6987 0.6278 0.6180 -0.0307 0.0387 -0.0025 657 HOH C O +61005 O O B HOH GJ . ? 0.7005 0.6297 0.6199 -0.0306 0.0386 -0.0026 657 HOH C O +61006 O O A HOH GJ . ? 0.8896 0.7545 0.7611 -0.0007 0.0035 -0.0142 658 HOH C O +61007 O O B HOH GJ . ? 0.9106 0.7752 0.7821 -0.0002 0.0039 -0.0144 658 HOH C O +61008 O O . HOH GJ . ? 0.9972 0.7359 0.8125 0.1281 -0.0252 -0.0210 659 HOH C O +61009 O O . HOH GJ . ? 1.1026 0.9203 0.9447 0.1098 -0.0738 0.0140 660 HOH C O +61010 O O . HOH GJ . ? 1.0182 0.9975 0.9871 -0.0004 0.0498 -0.0225 661 HOH C O +61011 O O . HOH GJ . ? 0.8289 0.6697 0.6617 0.0224 0.0303 -0.0302 662 HOH C O +61012 O O . HOH GJ . ? 1.2614 1.0592 1.0915 0.0987 -0.0661 0.0184 663 HOH C O +61013 O O . HOH GJ . ? 0.9084 0.8448 0.8154 0.0230 0.0842 -0.0355 664 HOH C O +61014 O O A HOH GJ . ? 0.7465 0.5884 0.5903 -0.0126 -0.0129 -0.0161 665 HOH C O +61015 O O B HOH GJ . ? 0.7559 0.5978 0.5992 -0.0122 -0.0123 -0.0161 665 HOH C O +61016 O O A HOH GJ . ? 0.6797 0.5995 0.5923 0.0024 0.0336 -0.0162 666 HOH C O +61017 O O B HOH GJ . ? 0.6808 0.6012 0.5938 0.0025 0.0339 -0.0163 666 HOH C O +61018 O O . HOH GJ . ? 1.0152 0.9320 0.9313 0.0365 -0.0591 0.0119 667 HOH C O +61019 O O . HOH GJ . ? 0.9739 0.8698 0.8397 0.0151 0.0716 -0.0287 668 HOH C O +61020 O O A HOH GJ . ? 0.8153 0.7334 0.7153 -0.0127 0.0498 -0.0121 669 HOH C O +61021 O O B HOH GJ . ? 0.8178 0.7357 0.7176 -0.0127 0.0496 -0.0121 669 HOH C O +61022 O O . HOH GJ . ? 0.9933 0.7949 0.8065 0.0101 0.0011 -0.0302 670 HOH C O +61023 O O . HOH GJ . ? 0.9005 0.8642 0.8544 -0.0020 0.0462 -0.0195 671 HOH C O +61024 O O . HOH GJ . ? 1.1301 0.9348 0.9903 0.1044 -0.0384 -0.0063 672 HOH C O +61025 O O . HOH GJ . ? 0.8082 0.6296 0.6578 -0.0060 -0.0133 -0.0185 673 HOH C O +61026 O O . HOH GJ . ? 0.8707 0.7157 0.6826 -0.0054 0.0327 -0.0130 674 HOH C O +61027 O O A HOH GJ . ? 0.8581 0.6942 0.7148 0.0708 -0.0612 0.0198 675 HOH C O +61028 O O B HOH GJ . ? 0.8584 0.6942 0.7150 0.0707 -0.0611 0.0198 675 HOH C O +61029 O O . HOH GJ . ? 1.2393 1.0541 1.0394 0.0296 0.0363 -0.0373 676 HOH C O +61030 O O . HOH GJ . ? 0.6959 0.6144 0.6364 0.0646 -0.0410 -0.0048 677 HOH C O +61031 O O . HOH GJ . ? 0.8682 0.7115 0.6711 -0.0282 0.0638 0.0027 678 HOH C O +61032 O O A HOH GJ . ? 0.7475 0.6374 0.6328 -0.0065 0.0148 -0.0097 679 HOH C O +61033 O O B HOH GJ . ? 0.7498 0.6399 0.6352 -0.0065 0.0151 -0.0097 679 HOH C O +61034 O O . HOH GJ . ? 0.8152 0.7414 0.7206 -0.0218 0.0618 -0.0109 680 HOH C O +61035 O O A HOH GJ . ? 0.6619 0.6427 0.6393 -0.0133 0.0322 -0.0143 681 HOH C O +61036 O O B HOH GJ . ? 0.6624 0.6440 0.6404 -0.0134 0.0326 -0.0145 681 HOH C O +61037 O O A HOH GJ . ? 1.2180 1.0699 1.0576 -0.0148 -0.0120 -0.0111 682 HOH C O +61038 O O B HOH GJ . ? 1.2262 1.0784 1.0661 -0.0147 -0.0114 -0.0110 682 HOH C O +61039 O O A HOH GJ . ? 0.7114 0.6227 0.6074 -0.0192 0.0390 -0.0062 683 HOH C O +61040 O O B HOH GJ . ? 0.7184 0.6291 0.6136 -0.0192 0.0390 -0.0062 683 HOH C O +61041 O O . HOH GJ . ? 0.8652 0.7621 0.7648 0.0465 0.0361 -0.0339 684 HOH C O +61042 O O . HOH GJ . ? 1.2723 1.1015 1.0669 0.0124 0.0458 -0.0269 685 HOH C O +61043 O O . HOH GJ . ? 0.7975 0.7758 0.7455 0.0424 0.0950 -0.0474 686 HOH C O +61044 O O . HOH GJ . ? 0.9920 0.8762 0.8513 0.0156 0.0589 -0.0273 687 HOH C O +61045 O O . HOH GJ . ? 0.9217 0.7607 0.7250 -0.0130 0.0025 -0.0032 688 HOH C O +61046 O O . HOH GJ . ? 1.1415 0.9052 0.9500 0.0432 0.0031 -0.0360 689 HOH C O +61047 O O . HOH GJ . ? 0.8465 0.7233 0.7584 0.0911 -0.0392 -0.0089 690 HOH C O +61048 O O . HOH GJ . ? 0.8072 0.7064 0.7352 0.0949 -0.0412 -0.0119 691 HOH C O +61049 O O . HOH GJ . ? 0.6671 0.5603 0.5425 -0.0352 0.0442 0.0034 692 HOH C O +61050 O O . HOH GJ . ? 0.9952 0.8656 0.8223 -0.0068 0.0801 -0.0169 693 HOH C O +61051 O O . HOH GJ . ? 0.7119 0.5419 0.5696 -0.0026 -0.0105 -0.0166 694 HOH C O +61052 O O A HOH GJ . ? 0.7201 0.6198 0.6208 0.0046 0.0186 -0.0145 695 HOH C O +61053 O O B HOH GJ . ? 0.7234 0.6229 0.6239 0.0047 0.0185 -0.0145 695 HOH C O +61054 O O . HOH GJ . ? 0.9214 0.7977 0.8338 0.1001 -0.0370 -0.0130 696 HOH C O +61055 O O A HOH GJ . ? 0.8090 0.7198 0.7144 -0.0225 0.0114 0.0014 697 HOH C O +61056 O O A HOH GJ . ? 0.9272 0.7699 0.7648 -0.0024 0.0039 -0.0183 698 HOH C O +61057 O O B HOH GJ . ? 0.9366 0.7795 0.7750 -0.0027 0.0033 -0.0182 698 HOH C O +61058 O O . HOH GJ . ? 0.8547 0.7565 0.7648 0.0403 0.0255 -0.0283 699 HOH C O +61059 O O . HOH GJ . ? 0.7745 0.6103 0.5663 -0.0232 0.0598 0.0011 700 HOH C O +61060 O O . HOH GJ . ? 1.0743 0.8568 0.9176 0.1060 -0.0409 -0.0027 701 HOH C O +61061 O O . HOH GJ . ? 1.1011 0.9183 0.9734 0.0514 -0.0251 -0.0014 702 HOH C O +61062 O O . HOH GJ . ? 0.9266 0.7648 0.7151 -0.0133 0.0704 -0.0085 703 HOH C O +61063 O O A HOH GJ . ? 0.6511 0.5364 0.5209 -0.0148 0.0212 -0.0051 704 HOH C O +61064 O O B HOH GJ . ? 0.6541 0.5399 0.5245 -0.0149 0.0212 -0.0051 704 HOH C O +61065 O O A HOH GJ . ? 0.7676 0.7087 0.7052 -0.0068 0.0274 -0.0113 705 HOH C O +61066 O O B HOH GJ . ? 0.7948 0.7346 0.7311 -0.0065 0.0272 -0.0114 705 HOH C O +61067 O O . HOH GJ . ? 0.7763 0.7435 0.7349 -0.0263 0.0475 -0.0117 706 HOH C O +61068 O O . HOH GJ . ? 1.0197 0.8715 0.9149 0.1381 -0.0350 -0.0236 707 HOH C O +61069 O O A HOH GJ . ? 0.8201 0.6220 0.6693 0.0668 -0.0451 0.0156 708 HOH C O +61070 O O B HOH GJ . ? 0.8215 0.6236 0.6708 0.0665 -0.0450 0.0157 708 HOH C O +61071 O O . HOH GJ . ? 0.8567 0.6833 0.6679 0.0066 0.0168 -0.0248 709 HOH C O +61072 O O . HOH GJ . ? 0.9809 0.8631 0.8974 0.1136 -0.0395 -0.0167 710 HOH C O +61073 O O A HOH GJ . ? 0.6518 0.5417 0.5260 -0.0181 0.0231 -0.0030 711 HOH C O +61074 O O B HOH GJ . ? 0.6574 0.5478 0.5322 -0.0182 0.0229 -0.0029 711 HOH C O +61075 O O A HOH GJ . ? 0.7113 0.5711 0.5800 -0.0135 -0.0113 -0.0106 712 HOH C O +61076 O O B HOH GJ . ? 0.7152 0.5751 0.5837 -0.0134 -0.0110 -0.0106 712 HOH C O +61077 O O A HOH GJ . ? 0.6967 0.6071 0.5883 -0.0180 0.0472 -0.0083 713 HOH C O +61078 O O B HOH GJ . ? 0.6972 0.6065 0.5874 -0.0180 0.0471 -0.0082 713 HOH C O +61079 O O . HOH GJ . ? 1.1034 1.0542 1.0319 0.0106 0.0720 -0.0289 714 HOH C O +61080 O O . HOH GJ . ? 0.8857 0.7165 0.6691 -0.0124 0.0521 -0.0062 715 HOH C O +61081 O O A HOH GJ . ? 1.1266 0.9401 0.9670 0.0664 -0.0566 0.0242 716 HOH C O +61082 O O B HOH GJ . ? 1.1317 0.9447 0.9713 0.0667 -0.0569 0.0244 716 HOH C O +61083 O O A HOH GJ . ? 0.7297 0.6593 0.6520 -0.0014 0.0344 -0.0148 717 HOH C O +61084 O O B HOH GJ . ? 0.7301 0.6602 0.6529 -0.0013 0.0344 -0.0149 717 HOH C O +61085 O O . HOH GJ . ? 1.4915 1.3445 1.3818 0.1020 -0.0496 -0.0034 718 HOH C O +61086 O O A HOH GJ . ? 0.9070 0.7548 0.7512 -0.0096 -0.0054 -0.0147 719 HOH C O +61087 O O B HOH GJ . ? 0.9098 0.7572 0.7537 -0.0096 -0.0055 -0.0148 719 HOH C O +61088 O O . HOH GJ . ? 0.9656 0.8110 0.8454 0.0868 -0.0533 0.0059 720 HOH C O +61089 O O . HOH GJ . ? 1.1667 1.0743 1.0764 0.0564 -0.0656 0.0098 721 HOH C O +61090 O O . HOH GJ . ? 1.2350 0.9668 1.0473 0.0561 -0.0300 0.0093 722 HOH C O +61091 O O . HOH GJ . ? 1.2111 1.1795 1.1674 -0.0126 0.0529 -0.0176 723 HOH C O +61092 O O . HOH GJ . ? 1.1200 0.9734 0.9860 0.0847 -0.0712 0.0149 724 HOH C O +61093 O O . HOH GJ . ? 1.0638 0.9225 0.9490 0.0882 -0.0596 0.0066 725 HOH C O +61094 O O . HOH GJ . ? 1.2538 1.0878 1.0482 -0.0074 0.0318 -0.0104 726 HOH C O +61095 O O . HOH GJ . ? 1.1357 0.9689 0.9308 -0.0274 0.0459 0.0080 727 HOH C O +61096 O O . HOH GJ . ? 1.1384 0.8494 0.9376 0.0754 -0.0276 -0.0017 728 HOH C O +61097 O O . HOH GJ . ? 1.1009 0.9471 0.9292 0.0138 0.0345 -0.0262 729 HOH C O +61098 O O . HOH GJ . ? 1.2517 1.1104 1.1510 0.1373 -0.0405 -0.0211 730 HOH C O +61099 O O . HOH GJ . ? 1.0975 0.8968 0.9099 -0.0076 -0.0163 -0.0283 731 HOH C O +61100 O O . HOH GJ . ? 1.1772 1.0228 1.0685 0.1179 -0.0195 -0.0263 732 HOH C O +61101 O O . HOH GJ . ? 1.0098 0.8400 0.7895 0.0065 0.0684 -0.0229 733 HOH C O +61102 O O . HOH GJ . ? 0.7581 0.5997 0.5682 -0.0301 0.0388 0.0104 734 HOH C O +61103 O O . HOH GJ . ? 0.8954 0.7088 0.6587 -0.0080 0.0256 -0.0066 735 HOH C O +61104 O O . HOH GJ . ? 1.0002 0.9508 0.9359 0.0034 0.0554 -0.0225 736 HOH C O +61105 O O . HOH GJ . ? 1.1207 0.9405 0.8991 -0.0319 0.0595 0.0104 737 HOH C O +61106 O O A HOH GJ . ? 0.7694 0.6624 0.6538 -0.0161 0.0114 -0.0032 738 HOH C O +61107 O O B HOH GJ . ? 0.7721 0.6654 0.6567 -0.0162 0.0115 -0.0031 738 HOH C O +61108 O O . HOH GJ . ? 0.7821 0.6131 0.5833 0.0024 0.0270 -0.0204 739 HOH C O +61109 O O . HOH GJ . ? 0.7437 0.5690 0.5989 0.0271 0.0031 -0.0244 740 HOH C O +61110 O O . HOH GJ . ? 1.0512 0.9004 0.9418 0.0943 -0.0421 -0.0048 741 HOH C O +61111 O O . HOH GJ . ? 1.1091 1.0660 1.0527 -0.0072 0.0528 -0.0183 742 HOH C O +61112 O O . HOH GJ . ? 0.8473 0.7675 0.7692 0.0402 -0.0588 0.0098 743 HOH C O +61113 O O . HOH GJ . ? 1.2429 1.1306 1.1417 0.1099 -0.0774 0.0008 744 HOH C O +61114 O O . HOH GJ . ? 1.1383 0.9814 0.9711 0.0642 0.0583 -0.0494 745 HOH C O +61115 O O . HOH GJ . ? 1.1223 0.9233 0.9387 -0.0035 -0.0120 -0.0276 746 HOH C O +61116 O O . HOH GJ . ? 0.9702 0.9410 0.9356 -0.0398 0.0484 -0.0090 747 HOH C O +61117 O O . HOH GJ . ? 1.0363 0.9321 0.9383 0.0922 -0.0759 0.0042 748 HOH C O +61118 O O . HOH GJ . ? 0.9835 0.8070 0.8008 0.0007 0.0026 -0.0236 749 HOH C O +61119 O O . HOH GJ . ? 1.1102 1.2084 1.1960 0.1256 -0.0402 -0.0544 750 HOH C O +61120 O O . HOH GJ . ? 1.0367 0.9401 0.9434 0.0398 0.0325 -0.0304 751 HOH C O +61121 O O . HOH GJ . ? 1.0313 0.8636 0.8272 -0.0045 0.0264 -0.0137 752 HOH C O +61122 O O . HOH GJ . ? 1.1116 1.2104 1.1982 0.1105 -0.0389 -0.0514 753 HOH C O +61123 O O . HOH GJ . ? 1.0133 1.0209 1.0219 0.0998 -0.0544 -0.0273 754 HOH C O +61124 O O A HOH GJ . ? 0.8419 0.7365 0.7222 -0.0269 0.0227 0.0034 755 HOH C O +61125 O O B HOH GJ . ? 0.8462 0.7406 0.7263 -0.0269 0.0226 0.0035 755 HOH C O +61126 O O . HOH GJ . ? 1.0268 0.8480 0.8267 0.0047 0.0164 -0.0244 756 HOH C O +61127 O O . HOH GJ . ? 1.0083 0.9633 0.9367 0.0220 0.0826 -0.0358 757 HOH C O +61128 O O . HOH GJ . ? 1.3405 1.2880 1.2667 0.0009 0.0683 -0.0240 758 HOH C O +61129 O O . HOH GJ . ? 1.2872 1.1181 1.0918 0.0093 0.0325 -0.0251 759 HOH C O +61130 O O . HOH GJ . ? 1.3650 1.2747 1.2435 0.0062 0.0764 -0.0255 760 HOH C O +61131 O O A HOH GJ . ? 0.8346 0.6848 0.6822 -0.0061 0.0000 -0.0154 761 HOH C O +61132 O O B HOH GJ . ? 0.8358 0.6862 0.6836 -0.0060 0.0002 -0.0154 761 HOH C O +61133 O O . HOH GJ . ? 0.9891 0.8223 0.8197 0.0008 0.0038 -0.0215 762 HOH C O +61134 O O . HOH GJ . ? 1.1518 0.9705 0.9241 -0.0063 0.0274 -0.0101 763 HOH C O +61135 O O . HOH GJ . ? 1.0176 0.9121 0.9408 0.1062 -0.0467 -0.0123 764 HOH C O +61136 O O . HOH GJ . ? 1.2997 1.1246 1.0697 -0.0105 0.0702 -0.0092 765 HOH C O +61137 O O A HOH GJ . ? 0.7661 0.6973 0.6908 -0.0065 0.0315 -0.0120 766 HOH C O +61138 O O B HOH GJ . ? 0.7683 0.6995 0.6928 -0.0066 0.0315 -0.0120 766 HOH C O +61139 O O . HOH GJ . ? 0.9290 0.9024 0.8924 -0.0185 0.0500 -0.0156 767 HOH C O +61140 O O . HOH GJ . ? 1.0048 0.8256 0.8057 0.0106 0.0232 -0.0275 768 HOH C O +61141 O O . HOH GJ . ? 1.3819 1.3268 1.3026 0.0045 0.0737 -0.0263 769 HOH C O +61142 O O . HOH HJ . ? 0.8489 0.5822 0.6828 -0.0751 0.0073 0.0298 501 HOH D O +61143 O O . HOH HJ . ? 0.8022 0.7589 0.7658 -0.0525 -0.0440 -0.0036 502 HOH D O +61144 O O . HOH HJ . ? 0.8828 0.8228 0.8253 -0.0491 -0.0534 -0.0097 503 HOH D O +61145 O O . HOH HJ . ? 0.9249 0.8431 0.8672 -0.0680 -0.0494 -0.0144 504 HOH D O +61146 O O . HOH HJ . ? 0.7848 0.7269 0.7216 -0.0369 -0.0482 -0.0020 505 HOH D O +61147 O O . HOH HJ . ? 0.8308 0.7594 0.7583 -0.0365 -0.0425 0.0000 506 HOH D O +61148 O O A HOH HJ . ? 0.8098 0.6569 0.6783 0.0467 -0.0506 0.0222 507 HOH D O +61149 O O B HOH HJ . ? 0.8100 0.6574 0.6789 0.0467 -0.0505 0.0221 507 HOH D O +61150 O O A HOH HJ . ? 0.8516 0.6868 0.7104 0.0366 -0.0450 0.0269 508 HOH D O +61151 O O B HOH HJ . ? 0.8552 0.6898 0.7141 0.0363 -0.0447 0.0269 508 HOH D O +61152 O O . HOH HJ . ? 0.9108 0.6328 0.7295 -0.0398 -0.0071 0.0262 509 HOH D O +61153 O O . HOH HJ . ? 0.7836 0.5769 0.6568 -0.0700 -0.0010 0.0239 510 HOH D O +61154 O O A HOH HJ . ? 0.6273 0.5449 0.5450 -0.0242 0.0003 0.0050 511 HOH D O +61155 O O B HOH HJ . ? 0.6279 0.5456 0.5456 -0.0243 0.0003 0.0050 511 HOH D O +61156 O O . HOH HJ . ? 0.9479 0.7354 0.8123 -0.0787 0.0143 0.0348 512 HOH D O +61157 O O . HOH HJ . ? 0.7098 0.6407 0.6803 -0.0924 -0.0427 -0.0165 513 HOH D O +61158 O O . HOH HJ . ? 0.7733 0.6650 0.6561 -0.0308 0.0039 0.0131 514 HOH D O +61159 O O . HOH HJ . ? 0.8400 0.7709 0.7726 -0.0409 -0.0447 -0.0023 515 HOH D O +61160 O O . HOH HJ . ? 1.0943 0.7731 0.9054 -0.1043 0.0165 0.0258 516 HOH D O +61161 O O . HOH HJ . ? 0.7689 0.6577 0.6895 -0.0621 -0.0425 -0.0112 517 HOH D O +61162 O O A HOH HJ . ? 0.8502 0.6927 0.7249 -0.0051 -0.0232 0.0310 518 HOH D O +61163 O O B HOH HJ . ? 0.8598 0.7028 0.7346 -0.0055 -0.0230 0.0312 518 HOH D O +61164 O O A HOH HJ . ? 0.8252 0.6038 0.6537 0.0507 -0.0412 0.0254 519 HOH D O +61165 O O B HOH HJ . ? 0.8242 0.6027 0.6526 0.0506 -0.0411 0.0254 519 HOH D O +61166 O O A HOH HJ . ? 0.9490 0.7835 0.8147 0.0322 -0.0402 0.0246 520 HOH D O +61167 O O B HOH HJ . ? 0.9567 0.7900 0.8216 0.0324 -0.0402 0.0247 520 HOH D O +61168 O O . HOH HJ . ? 0.9027 0.7689 0.8025 -0.0745 -0.0618 -0.0316 521 HOH D O +61169 O O . HOH HJ . ? 0.5908 0.5231 0.5245 -0.0277 -0.0217 0.0155 522 HOH D O +61170 O O . HOH HJ . ? 0.6596 0.5212 0.5511 -0.0441 -0.0356 -0.0101 523 HOH D O +61171 O O A HOH HJ . ? 0.8209 0.6306 0.6822 0.0422 -0.0344 0.0147 524 HOH D O +61172 O O B HOH HJ . ? 0.8219 0.6317 0.6833 0.0427 -0.0344 0.0145 524 HOH D O +61173 O O . HOH HJ . ? 0.8190 0.6939 0.6705 -0.0185 -0.0246 0.0026 525 HOH D O +61174 O O . HOH HJ . ? 0.7763 0.6351 0.6795 -0.0617 -0.0378 -0.0115 526 HOH D O +61175 O O . HOH HJ . ? 0.6106 0.5264 0.5228 -0.0264 -0.0236 0.0101 527 HOH D O +61176 O O . HOH HJ . ? 0.7085 0.6100 0.6244 -0.0430 -0.0378 -0.0035 528 HOH D O +61177 O O . HOH HJ . ? 0.8300 0.6348 0.6843 -0.0267 -0.0257 -0.0154 529 HOH D O +61178 O O . HOH HJ . ? 0.6143 0.5399 0.5492 -0.0312 -0.0226 0.0128 530 HOH D O +61179 O O . HOH HJ . ? 0.5984 0.5281 0.5394 -0.0340 -0.0224 0.0149 531 HOH D O +61180 O O A HOH HJ . ? 0.6967 0.5846 0.5722 -0.0221 0.0011 0.0035 532 HOH D O +61181 O O B HOH HJ . ? 0.6981 0.5859 0.5734 -0.0221 0.0016 0.0035 532 HOH D O +61182 O O . HOH HJ . ? 0.8068 0.6495 0.6795 -0.0349 -0.0316 -0.0133 533 HOH D O +61183 O O . HOH HJ . ? 0.8812 0.7132 0.7581 0.0713 -0.0406 0.0048 534 HOH D O +61184 O O A HOH HJ . ? 1.0160 0.8345 0.8648 0.0310 -0.0398 0.0299 535 HOH D O +61185 O O B HOH HJ . ? 1.0167 0.8349 0.8655 0.0308 -0.0397 0.0298 535 HOH D O +61186 O O A HOH HJ . ? 0.6995 0.6112 0.6080 -0.0269 -0.0004 0.0075 536 HOH D O +61187 O O B HOH HJ . ? 0.6980 0.6102 0.6071 -0.0270 -0.0001 0.0075 536 HOH D O +61188 O O A HOH HJ . ? 1.0090 0.8131 0.8480 0.0846 -0.0590 0.0187 537 HOH D O +61189 O O B HOH HJ . ? 1.0103 0.8138 0.8489 0.0841 -0.0587 0.0189 537 HOH D O +61190 O O . HOH HJ . ? 0.7655 0.6310 0.5962 -0.0137 -0.0404 -0.0026 538 HOH D O +61191 O O . HOH HJ . ? 0.9454 0.8144 0.7906 -0.0182 -0.0240 -0.0003 539 HOH D O +61192 O O . HOH HJ . ? 0.9551 0.6910 0.8095 -0.1335 0.0364 0.0300 540 HOH D O +61193 O O . HOH HJ . ? 1.0179 0.8081 0.8686 0.0636 -0.0337 0.0059 541 HOH D O +61194 O O . HOH HJ . ? 0.7241 0.5545 0.5874 -0.0336 -0.0315 -0.0163 542 HOH D O +61195 O O . HOH HJ . ? 0.5493 0.4676 0.4829 -0.0259 -0.0192 0.0121 543 HOH D O +61196 O O . HOH HJ . ? 0.6531 0.5900 0.5933 -0.0378 -0.0357 0.0053 544 HOH D O +61197 O O . HOH HJ . ? 0.6482 0.5566 0.5502 -0.0350 -0.0502 -0.0079 545 HOH D O +61198 O O . HOH HJ . ? 0.6725 0.5905 0.5906 -0.0291 -0.0130 0.0162 546 HOH D O +61199 O O . HOH HJ . ? 0.6810 0.5308 0.5742 -0.0411 -0.0275 -0.0037 547 HOH D O +61200 O O . HOH HJ . ? 0.9933 0.9548 0.9964 -0.1091 -0.0404 -0.0214 548 HOH D O +61201 O O . HOH HJ . ? 0.8072 0.7386 0.7432 -0.0286 -0.0207 0.0152 549 HOH D O +61202 O O . HOH HJ . ? 0.7503 0.6542 0.6726 -0.0462 -0.0366 -0.0022 550 HOH D O +61203 O O A HOH HJ . ? 0.7051 0.5800 0.5594 -0.0203 -0.0103 0.0055 551 HOH D O +61204 O O B HOH HJ . ? 0.7109 0.5863 0.5659 -0.0204 -0.0101 0.0056 551 HOH D O +61205 O O . HOH HJ . ? 0.6550 0.5636 0.5684 -0.0351 -0.0354 0.0004 552 HOH D O +61206 O O A HOH HJ . ? 0.6310 0.5423 0.5392 -0.0274 -0.0074 0.0103 553 HOH D O +61207 O O B HOH HJ . ? 0.6313 0.5427 0.5396 -0.0274 -0.0075 0.0103 553 HOH D O +61208 O O . HOH HJ . ? 0.7865 0.6102 0.6685 -0.0491 -0.0281 -0.0063 554 HOH D O +61209 O O . HOH HJ . ? 0.6220 0.5332 0.5274 -0.0254 -0.0170 0.0144 555 HOH D O +61210 O O . HOH HJ . ? 0.6573 0.5646 0.5578 -0.0252 -0.0176 0.0108 556 HOH D O +61211 O O . HOH HJ . ? 0.7236 0.6518 0.6727 -0.0609 -0.0411 -0.0055 557 HOH D O +61212 O O . HOH HJ . ? 0.6148 0.5585 0.5647 -0.0404 -0.0321 0.0078 558 HOH D O +61213 O O A HOH HJ . ? 1.4090 1.1778 1.2374 0.0668 -0.0412 0.0166 559 HOH D O +61214 O O B HOH HJ . ? 1.4258 1.1945 1.2539 0.0676 -0.0415 0.0166 559 HOH D O +61215 O O . HOH HJ . ? 0.7158 0.6020 0.6317 -0.0652 -0.0499 -0.0179 560 HOH D O +61216 O O . HOH HJ . ? 0.6139 0.5117 0.5355 -0.0472 -0.0337 -0.0010 561 HOH D O +61217 O O . HOH HJ . ? 0.6879 0.5516 0.5859 -0.0413 -0.0300 -0.0046 562 HOH D O +61218 O O A HOH HJ . ? 0.5600 0.4715 0.4676 -0.0264 -0.0149 0.0112 563 HOH D O +61219 O O B HOH HJ . ? 0.5590 0.4707 0.4669 -0.0264 -0.0149 0.0112 563 HOH D O +61220 O O A HOH HJ . ? 0.7416 0.6606 0.6661 0.0336 -0.0529 0.0108 564 HOH D O +61221 O O B HOH HJ . ? 0.7466 0.6646 0.6702 0.0338 -0.0529 0.0110 564 HOH D O +61222 O O A HOH HJ . ? 0.8310 0.6445 0.6979 -0.0324 -0.0092 0.0326 565 HOH D O +61223 O O B HOH HJ . ? 0.8356 0.6491 0.7027 -0.0329 -0.0090 0.0326 565 HOH D O +61224 O O A HOH HJ . ? 0.7201 0.6247 0.6339 0.0189 -0.0440 0.0171 566 HOH D O +61225 O O B HOH HJ . ? 0.7207 0.6255 0.6347 0.0188 -0.0439 0.0171 566 HOH D O +61226 O O . HOH HJ . ? 0.8380 0.7511 0.7553 0.0475 -0.0600 0.0097 567 HOH D O +61227 O O A HOH HJ . ? 0.9379 0.8478 0.8443 -0.0333 0.0059 0.0106 568 HOH D O +61228 O O B HOH HJ . ? 0.9405 0.8506 0.8471 -0.0333 0.0059 0.0106 568 HOH D O +61229 O O A HOH HJ . ? 0.6143 0.5231 0.5210 -0.0253 -0.0085 0.0073 569 HOH D O +61230 O O B HOH HJ . ? 0.6147 0.5235 0.5214 -0.0253 -0.0085 0.0073 569 HOH D O +61231 O O A HOH HJ . ? 1.1304 0.9957 1.0068 0.0130 -0.0377 0.0288 570 HOH D O +61232 O O B HOH HJ . ? 1.1433 1.0089 1.0196 0.0137 -0.0383 0.0287 570 HOH D O +61233 O O A HOH HJ . ? 0.9337 0.7249 0.7766 0.0726 -0.0447 0.0141 571 HOH D O +61234 O O B HOH HJ . ? 0.9341 0.7258 0.7773 0.0727 -0.0448 0.0141 571 HOH D O +61235 O O . HOH HJ . ? 1.0503 0.9607 0.9607 -0.0364 0.0029 0.0131 572 HOH D O +61236 O O . HOH HJ . ? 0.7338 0.6171 0.6528 -0.0676 -0.0451 -0.0149 573 HOH D O +61237 O O A HOH HJ . ? 0.9422 0.6990 0.7541 -0.0240 -0.0024 0.0468 574 HOH D O +61238 O O B HOH HJ . ? 0.9415 0.6983 0.7535 -0.0240 -0.0025 0.0468 574 HOH D O +61239 O O . HOH HJ . ? 1.1157 0.8684 0.9335 -0.0458 0.0095 0.0471 575 HOH D O +61240 O O . HOH HJ . ? 0.7068 0.5794 0.6182 -0.0616 -0.0392 -0.0107 576 HOH D O +61241 O O . HOH HJ . ? 0.7073 0.5880 0.6278 -0.0662 -0.0388 -0.0098 577 HOH D O +61242 O O . HOH HJ . ? 0.9101 0.8050 0.7869 -0.0204 -0.0310 0.0056 578 HOH D O +61243 O O . HOH HJ . ? 1.0816 0.7978 0.9071 -0.0682 -0.0012 0.0218 579 HOH D O +61244 O O . HOH HJ . ? 0.5885 0.5207 0.5226 -0.0289 -0.0240 0.0140 580 HOH D O +61245 O O A HOH HJ . ? 1.0047 0.7840 0.8322 0.0304 -0.0342 0.0314 581 HOH D O +61246 O O B HOH HJ . ? 1.0092 0.7877 0.8364 0.0298 -0.0338 0.0315 581 HOH D O +61247 O O . HOH HJ . ? 1.0705 0.8114 0.8734 0.0884 -0.0488 0.0189 582 HOH D O +61248 O O . HOH HJ . ? 1.0158 0.6932 0.8171 -0.1112 0.0358 0.0408 583 HOH D O +61249 O O . HOH HJ . ? 0.8807 0.7950 0.8103 -0.0414 -0.0315 0.0039 584 HOH D O +61250 O O . HOH HJ . ? 1.0207 0.9714 0.9954 -0.0861 -0.0602 -0.0261 585 HOH D O +61251 O O . HOH HJ . ? 0.8093 0.6405 0.6721 -0.0503 -0.0473 -0.0255 586 HOH D O +61252 O O . HOH HJ . ? 0.7210 0.6395 0.6505 -0.0520 -0.0495 -0.0102 587 HOH D O +61253 O O . HOH HJ . ? 0.6967 0.5771 0.6215 -0.0739 -0.0399 -0.0121 588 HOH D O +61254 O O A HOH HJ . ? 0.6864 0.5496 0.5268 -0.0175 -0.0099 -0.0010 589 HOH D O +61255 O O B HOH HJ . ? 0.6840 0.5477 0.5250 -0.0176 -0.0094 -0.0009 589 HOH D O +61256 O O . HOH HJ . ? 1.0159 0.9211 0.9197 -0.0420 0.0167 0.0113 590 HOH D O +61257 O O A HOH HJ . ? 0.6382 0.5593 0.5670 -0.0270 -0.0176 0.0106 591 HOH D O +61258 O O B HOH HJ . ? 0.6395 0.5605 0.5682 -0.0270 -0.0177 0.0106 591 HOH D O +61259 O O . HOH HJ . ? 0.9656 0.6908 0.7865 -0.0531 0.0003 0.0315 592 HOH D O +61260 O O . HOH HJ . ? 0.6312 0.5679 0.5744 -0.0426 -0.0378 0.0026 593 HOH D O +61261 O O . HOH HJ . ? 0.6420 0.5840 0.6208 -0.0898 -0.0368 -0.0114 594 HOH D O +61262 O O . HOH HJ . ? 0.6594 0.5530 0.5776 -0.0434 -0.0308 0.0007 595 HOH D O +61263 O O . HOH HJ . ? 0.8805 0.7711 0.7552 -0.0261 -0.0462 -0.0068 596 HOH D O +61264 O O A HOH HJ . ? 0.7813 0.6822 0.6909 0.0412 -0.0544 0.0133 597 HOH D O +61265 O O B HOH HJ . ? 0.7818 0.6819 0.6908 0.0412 -0.0543 0.0135 597 HOH D O +61266 O O . HOH HJ . ? 0.5895 0.5108 0.5082 -0.0264 -0.0222 0.0127 598 HOH D O +61267 O O . HOH HJ . ? 0.9157 0.7863 0.7952 -0.0411 -0.0475 -0.0168 599 HOH D O +61268 O O . HOH HJ . ? 0.7639 0.6676 0.6619 -0.0286 -0.0066 0.0137 600 HOH D O +61269 O O A HOH HJ . ? 1.2426 1.0687 1.0919 0.0553 -0.0536 0.0250 601 HOH D O +61270 O O B HOH HJ . ? 1.2507 1.0786 1.1013 0.0549 -0.0536 0.0248 601 HOH D O +61271 O O A HOH HJ . ? 1.2458 1.0063 1.0530 0.0664 -0.0487 0.0288 602 HOH D O +61272 O O B HOH HJ . ? 1.2473 1.0073 1.0540 0.0661 -0.0486 0.0291 602 HOH D O +61273 O O A HOH HJ . ? 0.6798 0.5409 0.5719 0.0573 -0.0459 0.0104 603 HOH D O +61274 O O B HOH HJ . ? 0.6821 0.5435 0.5744 0.0580 -0.0461 0.0102 603 HOH D O +61275 O O . HOH HJ . ? 1.0469 0.9413 0.9556 -0.0443 -0.0414 -0.0075 604 HOH D O +61276 O O . HOH HJ . ? 0.9315 0.8849 0.8913 -0.0537 -0.0483 -0.0069 605 HOH D O +61277 O O A HOH HJ . ? 1.0734 0.9458 0.9560 0.0186 -0.0420 0.0258 606 HOH D O +61278 O O B HOH HJ . ? 1.0852 0.9568 0.9674 0.0183 -0.0417 0.0260 606 HOH D O +61279 O O A HOH HJ . ? 0.7914 0.6552 0.6298 -0.0216 0.0133 0.0048 607 HOH D O +61280 O O B HOH HJ . ? 0.7936 0.6574 0.6320 -0.0216 0.0132 0.0047 607 HOH D O +61281 O O . HOH HJ . ? 0.8660 0.8149 0.8160 -0.0455 -0.0482 -0.0044 608 HOH D O +61282 O O A HOH HJ . ? 0.7493 0.6710 0.6752 -0.0273 -0.0170 0.0112 609 HOH D O +61283 O O B HOH HJ . ? 0.7538 0.6756 0.6799 -0.0273 -0.0170 0.0112 609 HOH D O +61284 O O . HOH HJ . ? 1.1369 1.0163 1.0093 -0.0289 -0.0029 0.0185 610 HOH D O +61285 O O . HOH HJ . ? 1.0059 0.8918 0.8767 -0.0248 -0.0402 -0.0050 611 HOH D O +61286 O O . HOH HJ . ? 1.1432 0.8986 0.9603 0.0757 -0.0438 0.0173 612 HOH D O +61287 O O . HOH HJ . ? 0.8020 0.7378 0.7407 -0.0410 -0.0417 0.0002 613 HOH D O +61288 O O A HOH HJ . ? 1.0128 0.9131 0.9063 -0.0313 0.0045 0.0115 614 HOH D O +61289 O O B HOH HJ . ? 1.0301 0.9311 0.9245 -0.0312 0.0042 0.0115 614 HOH D O +61290 O O . HOH HJ . ? 1.0426 0.9157 0.9567 -0.0876 -0.0640 -0.0351 615 HOH D O +61291 O O . HOH HJ . ? 0.9762 0.9197 0.9196 -0.0416 -0.0461 -0.0021 616 HOH D O +61292 O O . HOH HJ . ? 1.1328 1.0511 1.0520 -0.0362 0.0031 0.0114 617 HOH D O +61293 O O . HOH HJ . ? 0.6156 0.5336 0.5290 -0.0258 -0.0238 0.0115 618 HOH D O +61294 O O A HOH HJ . ? 0.7965 0.7121 0.7192 0.0116 -0.0417 0.0162 619 HOH D O +61295 O O B HOH HJ . ? 0.7989 0.7147 0.7219 0.0115 -0.0416 0.0161 619 HOH D O +61296 O O . HOH HJ . ? 0.7019 0.6148 0.6130 -0.0408 0.0177 0.0093 620 HOH D O +61297 O O . HOH IJ . ? 0.7755 0.5886 0.6331 -0.0583 -0.0486 -0.0294 201 HOH E O +61298 O O . HOH IJ . ? 1.2916 1.0893 1.1449 -0.0793 -0.0616 -0.0431 202 HOH E O +61299 O O . HOH IJ . ? 1.0933 0.7274 0.8661 -0.0634 -0.0005 0.0199 203 HOH E O +61300 O O . HOH IJ . ? 0.9135 0.6047 0.7241 -0.0728 0.0020 0.0229 204 HOH E O +61301 O O . HOH IJ . ? 0.8133 0.6725 0.7174 -0.0737 -0.0483 -0.0218 205 HOH E O +61302 O O . HOH IJ . ? 1.2012 0.7900 0.9466 -0.0563 -0.0069 0.0074 206 HOH E O +61303 O O . HOH IJ . ? 1.1014 0.9425 0.9796 -0.0742 -0.0647 -0.0377 207 HOH E O +61304 O O . HOH IJ . ? 1.0522 0.7080 0.8425 -0.0710 -0.0019 0.0160 208 HOH E O +61305 O O . HOH IJ . ? 1.1615 1.0255 1.0115 -0.0468 -0.0874 -0.0424 209 HOH E O +61306 O O . HOH IJ . ? 0.8186 0.6692 0.6629 -0.0416 -0.0689 -0.0335 210 HOH E O +61307 O O . HOH IJ . ? 0.8270 0.6532 0.6903 -0.0574 -0.0509 -0.0288 211 HOH E O +61308 O O . HOH IJ . ? 1.1931 1.0396 1.0821 -0.0794 -0.0619 -0.0355 212 HOH E O +61309 O O . HOH IJ . ? 0.8039 0.7332 0.7413 -0.0541 -0.0539 -0.0126 213 HOH E O +61310 O O . HOH IJ . ? 0.8540 0.8218 0.8332 -0.0639 -0.0461 -0.0088 214 HOH E O +61311 O O . HOH IJ . ? 1.0918 0.9770 0.9891 -0.0636 -0.0723 -0.0337 215 HOH E O +61312 O O . HOH IJ . ? 1.4098 1.2417 1.2771 -0.0758 -0.0711 -0.0443 216 HOH E O +61313 O O . HOH IJ . ? 1.3679 1.0548 1.1624 -0.0089 -0.0169 0.0121 217 HOH E O +61314 O O . HOH JJ . ? 1.1636 0.9559 0.9966 -0.0572 -0.0557 -0.0396 201 HOH F O +61315 O O . HOH JJ . ? 0.8887 0.6791 0.7265 -0.0413 -0.0378 -0.0272 202 HOH F O +61316 O O . HOH JJ . ? 1.1633 0.9547 0.9844 -0.0363 -0.0426 -0.0335 203 HOH F O +61317 O O . HOH JJ . ? 1.1640 0.9655 0.9972 -0.0558 -0.0598 -0.0408 204 HOH F O +61318 O O . HOH KJ . ? 0.8396 0.7726 0.8236 -0.1055 -0.0191 -0.0050 201 HOH H O +61319 O O . HOH KJ . ? 0.6754 0.6966 0.7116 -0.0878 -0.0394 -0.0167 202 HOH H O +61320 O O . HOH KJ . ? 0.6871 0.6901 0.7073 -0.0837 -0.0377 -0.0126 203 HOH H O +61321 O O . HOH KJ . ? 0.8085 0.7941 0.8017 -0.0623 -0.0423 -0.0066 204 HOH H O +61322 O O . HOH KJ . ? 1.2748 1.0717 1.1144 -0.0839 0.0544 0.0555 205 HOH H O +61323 O O . HOH KJ . ? 0.7895 0.8467 0.8454 -0.0729 -0.0428 -0.0177 206 HOH H O +61324 O O . HOH KJ . ? 0.8634 0.8260 0.8442 -0.0686 -0.0379 -0.0050 207 HOH H O +61325 O O . HOH KJ . ? 0.9193 0.7957 0.7755 -0.0520 0.0664 0.0510 208 HOH H O +61326 O O . HOH KJ . ? 0.8661 0.7301 0.7864 -0.1225 0.0614 0.0381 209 HOH H O +61327 O O . HOH KJ . ? 0.8379 0.8192 0.8327 -0.0690 -0.0391 -0.0066 210 HOH H O +61328 O O . HOH KJ . ? 0.9365 0.8539 0.8237 -0.0419 0.0606 0.0423 211 HOH H O +61329 O O . HOH KJ . ? 0.6860 0.6839 0.7023 -0.0803 -0.0216 -0.0020 212 HOH H O +61330 O O . HOH KJ . ? 0.7539 0.7024 0.7490 -0.1072 -0.0270 -0.0114 213 HOH H O +61331 O O . HOH KJ . ? 0.7357 0.6975 0.7389 -0.1062 -0.0332 -0.0156 214 HOH H O +61332 O O . HOH KJ . ? 0.9838 0.9900 1.0018 -0.0781 -0.0448 -0.0150 215 HOH H O +61333 O O . HOH KJ . ? 1.2215 1.0197 1.0524 -0.0839 0.0652 0.0591 216 HOH H O +61334 O O . HOH KJ . ? 1.2457 1.0832 1.1319 -0.1201 0.0802 0.0492 217 HOH H O +61335 O O . HOH KJ . ? 1.0907 0.8885 0.9350 -0.1029 0.0735 0.0569 218 HOH H O +61336 O O . HOH KJ . ? 1.0916 0.9902 0.9523 -0.0365 0.0647 0.0455 219 HOH H O +61337 O O . HOH KJ . ? 1.1553 1.1414 1.1489 -0.0652 -0.0483 -0.0113 220 HOH H O +61338 O O . HOH KJ . ? 1.0485 1.0687 1.0885 -0.1009 -0.0534 -0.0294 221 HOH H O +61339 O O . HOH KJ . ? 1.2630 1.1868 1.2547 -0.1368 0.0169 0.0052 222 HOH H O +61340 O O . HOH LJ . ? 0.6689 0.6852 0.6852 0.0656 -0.0466 -0.0223 201 HOH I O +61341 O O . HOH LJ . ? 0.8980 0.8813 0.8893 0.1033 -0.0478 -0.0253 202 HOH I O +61342 O O . HOH LJ . ? 1.0743 1.1285 1.1242 0.0880 -0.0392 -0.0371 203 HOH I O +61343 O O . HOH LJ . ? 0.9013 0.9015 0.9075 0.0719 -0.0362 -0.0230 204 HOH I O +61344 O O . HOH MJ . ? 1.5144 1.0624 1.2283 -0.0349 -0.0099 0.0041 201 HOH J O +61345 O O . HOH MJ . ? 0.8588 0.6674 0.6923 -0.0329 -0.0383 -0.0276 202 HOH J O +61346 O O . HOH MJ . ? 0.9363 0.7427 0.7688 -0.0179 -0.0240 -0.0239 203 HOH J O +61347 O O . HOH MJ . ? 1.2448 0.8638 0.9924 0.0130 -0.0182 0.0070 204 HOH J O +61348 O O . HOH MJ . ? 1.1703 0.8071 0.9279 0.0227 -0.0199 0.0040 205 HOH J O +61349 O O . HOH MJ . ? 1.5755 1.1877 1.3153 0.0351 -0.0206 0.0019 206 HOH J O +61350 O O . HOH NJ . ? 1.0974 0.8371 0.8780 0.0177 -0.0072 -0.0401 201 HOH K O +61351 O O . HOH NJ . ? 1.1714 0.9136 0.9422 0.0348 0.0063 -0.0457 202 HOH K O +61352 O O . HOH NJ . ? 0.9402 0.6569 0.7435 0.0672 -0.0280 0.0017 203 HOH K O +61353 O O . HOH NJ . ? 1.0202 0.7924 0.8002 0.0381 0.0205 -0.0447 204 HOH K O +61354 O O . HOH NJ . ? 1.2842 1.0356 1.0756 0.0105 -0.0103 -0.0365 205 HOH K O +61355 O O . HOH OJ . ? 0.6368 0.5722 0.5800 -0.0260 -0.0184 0.0148 201 HOH L O +61356 O O . HOH OJ . ? 1.0879 0.9512 0.9253 -0.0260 0.0298 0.0472 202 HOH L O +61357 O O A HOH OJ . ? 0.8689 0.7668 0.7737 0.0123 -0.0414 0.0212 203 HOH L O +61358 O O B HOH OJ . ? 0.8795 0.7769 0.7836 0.0123 -0.0415 0.0213 203 HOH L O +61359 O O . HOH OJ . ? 0.6157 0.5482 0.5521 -0.0284 -0.0166 0.0153 204 HOH L O +61360 O O . HOH OJ . ? 0.9117 0.8478 0.8500 -0.0272 -0.0202 0.0177 205 HOH L O +61361 O O . HOH OJ . ? 0.7042 0.6206 0.6234 0.0085 -0.0425 0.0175 206 HOH L O +61362 O O . HOH OJ . ? 0.7444 0.6732 0.6730 -0.0263 -0.0189 0.0171 207 HOH L O +61363 O O . HOH OJ . ? 1.3964 1.2440 1.2469 0.0054 -0.0295 0.0371 208 HOH L O +61364 O O . HOH OJ . ? 0.9395 0.8709 0.8697 -0.0251 -0.0205 0.0175 209 HOH L O +61365 O O . HOH PJ . ? 1.2157 1.1436 1.1427 -0.0244 -0.0188 0.0182 201 HOH M O +61366 O O . HOH PJ . ? 1.0505 0.9736 0.9522 0.0040 -0.0549 0.0123 202 HOH M O +61367 O O . HOH PJ . ? 0.9212 0.8291 0.8163 -0.0063 -0.0333 0.0235 203 HOH M O +61368 O O . HOH PJ . ? 0.7367 0.6686 0.6690 -0.0258 -0.0190 0.0178 204 HOH M O +61369 O O . HOH PJ . ? 0.8573 0.7689 0.7687 -0.0300 -0.0105 0.0165 205 HOH M O +61370 O O . HOH PJ . ? 1.4484 1.3698 1.3561 0.0084 -0.0522 0.0152 206 HOH M O +61371 O O . HOH QJ . ? 1.0267 0.9154 0.8932 -0.0178 -0.0302 0.0071 401 HOH O O +61372 O O . HOH QJ . ? 0.8388 0.7210 0.6970 -0.0166 -0.0265 0.0093 402 HOH O O +61373 O O . HOH QJ . ? 0.9743 0.8627 0.8572 -0.0351 0.0069 0.0153 403 HOH O O +61374 O O . HOH QJ . ? 1.1527 1.1153 1.0889 -0.0123 0.0864 -0.0238 404 HOH O O +61375 O O . HOH QJ . ? 1.0127 0.9696 0.9471 -0.0546 0.1083 -0.0139 405 HOH O O +61376 O O . HOH QJ . ? 1.0274 0.9361 0.9182 -0.0135 -0.0324 0.0143 406 HOH O O +61377 O O . HOH QJ . ? 0.7052 0.6119 0.5968 -0.0367 0.0471 0.0014 407 HOH O O +61378 O O . HOH QJ . ? 1.0890 0.8796 0.8394 -0.0444 0.0788 0.0181 408 HOH O O +61379 O O . HOH QJ . ? 0.8865 0.8033 0.8123 -0.0570 0.0206 0.0082 409 HOH O O +61380 O O . HOH QJ . ? 0.7990 0.6543 0.6371 -0.0232 -0.0023 0.0197 410 HOH O O +61381 O O . HOH QJ . ? 0.9378 0.8093 0.7785 -0.0106 -0.0304 0.0114 411 HOH O O +61382 O O . HOH QJ . ? 1.0579 1.0092 0.9970 -0.0708 0.1015 -0.0090 412 HOH O O +61383 O O . HOH QJ . ? 0.8753 0.7556 0.7522 -0.0465 0.0262 0.0144 413 HOH O O +61384 O O . HOH QJ . ? 1.3362 1.0883 1.0585 -0.0657 0.1038 0.0270 414 HOH O O +61385 O O . HOH QJ . ? 1.2489 1.2256 1.2096 -0.0085 0.0639 -0.0224 415 HOH O O +61386 O O . HOH QJ . ? 0.9406 0.8282 0.8230 -0.0401 0.0174 0.0139 416 HOH O O +61387 O O . HOH QJ . ? 0.9338 0.7752 0.7570 -0.0296 0.0129 0.0200 417 HOH O O +61388 O O . HOH QJ . ? 0.9623 0.8111 0.7984 -0.0414 0.0299 0.0181 418 HOH O O +61389 O O . HOH QJ . ? 1.2714 1.1454 1.1307 -0.1230 0.1841 0.0007 419 HOH O O +61390 O O . HOH QJ . ? 0.9786 0.9142 0.9191 -0.0457 0.0137 0.0062 420 HOH O O +61391 O O . HOH QJ . ? 1.5016 1.1814 1.1260 -0.0621 0.1357 0.0341 421 HOH O O +61392 O O . HOH QJ . ? 1.1002 0.9730 0.9706 -0.1164 0.1471 0.0037 422 HOH O O +61393 O O . HOH QJ . ? 0.8212 0.7650 0.7492 -0.0152 0.0553 -0.0143 423 HOH O O +61394 O O . HOH QJ . ? 0.8189 0.6690 0.6511 -0.0316 0.0163 0.0178 424 HOH O O +61395 O O . HOH QJ . ? 0.7929 0.6512 0.6389 -0.0598 0.0671 0.0127 425 HOH O O +61396 O O . HOH QJ . ? 1.0082 0.9473 0.9253 -0.0509 0.0973 -0.0097 426 HOH O O +61397 O O A HOH QJ . ? 0.8144 0.6951 0.6781 -0.0234 -0.0002 0.0074 427 HOH O O +61398 O O B HOH QJ . ? 0.8035 0.6844 0.6674 -0.0236 0.0005 0.0074 427 HOH O O +61399 O O . HOH QJ . ? 0.7036 0.5593 0.5319 -0.0248 0.0198 0.0085 428 HOH O O +61400 O O . HOH QJ . ? 0.7011 0.5647 0.5531 -0.0461 0.0390 0.0144 429 HOH O O +61401 O O . HOH QJ . ? 1.0031 0.8592 0.8643 -0.0616 0.0397 0.0169 430 HOH O O +61402 O O . HOH QJ . ? 0.9960 0.9052 0.8865 -0.0180 -0.0363 0.0087 431 HOH O O +61403 O O . HOH QJ . ? 1.1744 1.0791 1.0884 -0.0581 0.0227 0.0101 432 HOH O O +61404 O O . HOH QJ . ? 0.7869 0.7050 0.6935 -0.0220 -0.0314 0.0106 433 HOH O O +61405 O O . HOH QJ . ? 0.8345 0.7131 0.7008 -0.0286 0.0015 0.0155 434 HOH O O +61406 O O . HOH QJ . ? 1.3453 1.2037 1.2135 -0.0944 0.0860 0.0110 435 HOH O O +61407 O O . HOH QJ . ? 0.8226 0.6900 0.6692 -0.0238 0.0006 0.0128 436 HOH O O +61408 O O . HOH QJ . ? 0.5928 0.5060 0.5003 -0.0254 -0.0208 0.0116 437 HOH O O +61409 O O . HOH QJ . ? 1.1918 1.0646 1.0644 -0.0966 0.1090 0.0069 438 HOH O O +61410 O O . HOH QJ . ? 0.6596 0.5779 0.5699 -0.0460 0.0459 0.0028 439 HOH O O +61411 O O . HOH QJ . ? 0.6957 0.5526 0.5257 -0.0227 0.0098 0.0093 440 HOH O O +61412 O O . HOH QJ . ? 0.9020 0.8394 0.8338 -0.0598 0.0656 -0.0021 441 HOH O O +61413 O O . HOH QJ . ? 0.8746 0.7106 0.6933 -0.0399 0.0335 0.0191 442 HOH O O +61414 O O . HOH QJ . ? 0.6285 0.5412 0.5376 -0.0404 0.0223 0.0080 443 HOH O O +61415 O O . HOH QJ . ? 1.2610 1.0993 1.0863 -0.0341 0.0168 0.0215 444 HOH O O +61416 O O . HOH QJ . ? 0.7185 0.5703 0.5386 -0.0172 -0.0045 0.0070 445 HOH O O +61417 O O . HOH QJ . ? 0.9822 0.9130 0.9164 -0.0693 0.0565 0.0009 446 HOH O O +61418 O O . HOH QJ . ? 0.6290 0.5528 0.5489 -0.0256 -0.0240 0.0134 447 HOH O O +61419 O O . HOH QJ . ? 0.9468 0.8673 0.8466 -0.0479 0.0836 -0.0047 448 HOH O O +61420 O O . HOH QJ . ? 0.6542 0.5616 0.5544 -0.0417 0.0324 0.0067 449 HOH O O +61421 O O . HOH QJ . ? 1.0763 1.0250 1.0196 -0.0663 0.0769 -0.0055 450 HOH O O +61422 O O . HOH QJ . ? 0.6761 0.5867 0.5751 -0.0409 0.0451 0.0028 451 HOH O O +61423 O O . HOH QJ . ? 1.0643 0.9483 0.9262 -0.0131 -0.0267 0.0152 452 HOH O O +61424 O O . HOH QJ . ? 1.1029 0.9680 0.9663 -0.0399 0.0122 0.0192 453 HOH O O +61425 O O . HOH QJ . ? 0.7315 0.5863 0.5546 -0.0160 -0.0116 0.0069 454 HOH O O +61426 O O . HOH QJ . ? 0.9156 0.8019 0.7924 -0.0349 0.0143 0.0129 455 HOH O O +61427 O O . HOH QJ . ? 0.6346 0.5908 0.5895 -0.0488 0.0419 -0.0033 456 HOH O O +61428 O O . HOH QJ . ? 0.9728 0.9256 0.9283 -0.0630 0.0499 -0.0029 457 HOH O O +61429 O O . HOH QJ . ? 1.2127 1.1123 1.0898 -0.0067 -0.0353 0.0157 458 HOH O O +61430 O O . HOH QJ . ? 0.6325 0.5524 0.5456 -0.0248 -0.0272 0.0114 459 HOH O O +61431 O O . HOH QJ . ? 0.7770 0.6437 0.6288 -0.0335 0.0173 0.0150 460 HOH O O +61432 O O . HOH QJ . ? 0.9808 0.8593 0.8437 -0.0261 -0.0002 0.0132 461 HOH O O +61433 O O . HOH QJ . ? 1.1503 1.0981 1.0679 -0.0204 0.0944 -0.0204 462 HOH O O +61434 O O . HOH QJ . ? 0.8327 0.7028 0.6887 -0.0262 -0.0014 0.0174 463 HOH O O +61435 O O A HOH QJ . ? 0.8049 0.7706 0.7667 -0.0263 0.0339 -0.0084 464 HOH O O +61436 O O B HOH QJ . ? 0.8150 0.7790 0.7751 -0.0261 0.0332 -0.0080 464 HOH O O +61437 O O . HOH QJ . ? 1.2949 1.1976 1.1818 -0.0212 -0.0318 0.0070 465 HOH O O +61438 O O . HOH QJ . ? 0.8128 0.6420 0.6290 -0.0505 0.0483 0.0198 466 HOH O O +61439 O O . HOH QJ . ? 1.0296 0.9490 0.9603 -0.0695 0.0367 0.0048 467 HOH O O +61440 O O . HOH QJ . ? 0.9101 0.8252 0.8277 -0.0449 0.0147 0.0102 468 HOH O O +61441 O O . HOH QJ . ? 0.7633 0.6494 0.6285 -0.0372 0.0522 0.0037 469 HOH O O +61442 O O . HOH QJ . ? 0.6309 0.5324 0.5210 -0.0229 -0.0191 0.0127 470 HOH O O +61443 O O . HOH QJ . ? 0.8008 0.6581 0.6436 -0.0373 0.0244 0.0165 471 HOH O O +61444 O O . HOH QJ . ? 1.0354 1.0352 1.0196 -0.0220 0.0720 -0.0232 472 HOH O O +61445 O O . HOH QJ . ? 0.6920 0.6128 0.6132 -0.0398 0.0128 0.0089 473 HOH O O +61446 O O . HOH QJ . ? 0.9086 0.8554 0.8635 -0.0566 0.0226 0.0017 474 HOH O O +61447 O O . HOH QJ . ? 0.9990 0.8269 0.7921 -0.0327 0.0482 0.0123 475 HOH O O +61448 O O . HOH QJ . ? 0.7165 0.5835 0.5602 -0.0179 -0.0137 0.0149 476 HOH O O +61449 O O . HOH QJ . ? 0.6223 0.5303 0.5216 -0.0236 -0.0196 0.0137 477 HOH O O +61450 O O . HOH QJ . ? 0.8964 0.7269 0.6979 -0.0193 0.0024 0.0193 478 HOH O O +61451 O O . HOH QJ . ? 0.8613 0.7678 0.7523 -0.0169 -0.0285 0.0142 479 HOH O O +61452 O O A HOH QJ . ? 0.7096 0.6474 0.6415 -0.0366 0.0364 -0.0012 480 HOH O O +61453 O O B HOH QJ . ? 0.7110 0.6487 0.6427 -0.0365 0.0363 -0.0012 480 HOH O O +61454 O O . HOH QJ . ? 0.7238 0.6216 0.6053 -0.0167 -0.0255 0.0152 481 HOH O O +61455 O O . HOH QJ . ? 0.9654 0.7899 0.7535 -0.0362 0.0598 0.0121 482 HOH O O +61456 O O . HOH QJ . ? 0.8075 0.6621 0.6472 -0.0412 0.0334 0.0160 483 HOH O O +61457 O O . HOH QJ . ? 1.1082 0.9759 0.9623 -0.0182 -0.0132 0.0207 484 HOH O O +61458 O O . HOH QJ . ? 1.0300 0.9244 0.9164 -0.0332 0.0096 0.0120 485 HOH O O +61459 O O . HOH QJ . ? 1.2487 1.1396 1.1385 -0.0464 0.0223 0.0133 486 HOH O O +61460 O O . HOH QJ . ? 1.4155 1.2290 1.1769 -0.0830 0.1870 0.0066 487 HOH O O +61461 O O . HOH QJ . ? 1.0457 0.8842 0.8712 -0.0390 0.0259 0.0204 488 HOH O O +61462 O O . HOH QJ . ? 1.0768 1.0609 1.0565 -0.0357 0.0446 -0.0117 489 HOH O O +61463 O O . HOH QJ . ? 1.1192 0.9991 0.9788 -0.0134 -0.0234 0.0172 490 HOH O O +61464 O O . HOH QJ . ? 1.1930 1.0659 1.0814 -0.0552 0.0116 0.0149 491 HOH O O +61465 O O . HOH QJ . ? 1.1469 0.9586 0.9346 -0.0293 0.0215 0.0231 492 HOH O O +61466 O O . HOH QJ . ? 0.7286 0.6636 0.6400 -0.0080 -0.0457 0.0099 493 HOH O O +61467 O O . HOH QJ . ? 1.0765 0.9844 0.9681 -0.0175 -0.0307 0.0125 494 HOH O O +61468 O O . HOH QJ . ? 0.9781 0.8604 0.8479 -0.0286 0.0023 0.0140 495 HOH O O +61469 O O . HOH QJ . ? 1.1320 0.9292 0.9126 -0.0450 0.0446 0.0252 496 HOH O O +61470 O O . HOH QJ . ? 0.8621 0.7657 0.7602 -0.0340 0.0097 0.0108 497 HOH O O +61471 O O A HOH QJ . ? 0.8481 0.7226 0.7023 -0.0215 -0.0035 0.0066 498 HOH O O +61472 O O B HOH QJ . ? 0.9066 0.7820 0.7621 -0.0216 -0.0043 0.0069 498 HOH O O +61473 O O . HOH QJ . ? 1.0047 0.9009 0.8944 -0.0376 0.0171 0.0114 499 HOH O O +61474 O O . HOH QJ . ? 1.1816 1.0987 1.0995 -0.0913 0.0985 -0.0008 500 HOH O O +61475 O O . HOH QJ . ? 1.2822 1.1055 1.1022 -0.0812 0.0889 0.0178 501 HOH O O +61476 O O . HOH QJ . ? 1.7625 1.4722 1.4389 -0.0736 0.1254 0.0329 502 HOH O O +61477 O O . HOH QJ . ? 1.3632 1.2216 1.1707 -0.0699 0.1722 -0.0026 503 HOH O O +61478 O O . HOH QJ . ? 0.9356 0.8626 0.8662 -0.0429 0.0111 0.0085 504 HOH O O +61479 O O . HOH RJ . ? 0.9857 0.9203 0.9258 -0.0343 -0.0110 0.0123 201 HOH T O +61480 O O . HOH RJ . ? 0.6682 0.5928 0.5977 0.0068 -0.0406 0.0151 202 HOH T O +61481 O O . HOH RJ . ? 0.7272 0.6647 0.6699 -0.0314 -0.0124 0.0124 203 HOH T O +61482 O O . HOH RJ . ? 0.9215 0.8197 0.8165 0.0086 -0.0427 0.0233 204 HOH T O +61483 O O . HOH RJ . ? 0.8769 0.8144 0.8099 0.0197 -0.0548 0.0095 205 HOH T O +61484 O O . HOH RJ . ? 1.0080 0.9346 0.9389 -0.0337 -0.0105 0.0141 206 HOH T O +61485 O O A HOH RJ . ? 1.1722 1.0510 1.0560 0.0282 -0.0499 0.0230 207 HOH T O +61486 O O B HOH RJ . ? 1.1769 1.0555 1.0605 0.0278 -0.0497 0.0231 207 HOH T O +61487 O O A HOH RJ . ? 0.6437 0.5610 0.5692 0.0160 -0.0430 0.0144 208 HOH T O +61488 O O B HOH RJ . ? 0.6411 0.5593 0.5672 0.0159 -0.0431 0.0142 208 HOH T O +61489 O O A HOH RJ . ? 0.8404 0.7474 0.7534 0.0156 -0.0441 0.0180 209 HOH T O +61490 O O B HOH RJ . ? 0.8399 0.7465 0.7525 0.0159 -0.0443 0.0180 209 HOH T O +61491 O O . HOH RJ . ? 1.1901 1.0707 1.0724 0.0115 -0.0406 0.0270 210 HOH T O +61492 O O . HOH RJ . ? 1.0998 1.0623 1.0564 0.0210 -0.0573 0.0019 211 HOH T O +61493 O O . HOH SJ . ? 1.3990 1.1346 1.0647 -0.0114 0.0383 0.0196 201 HOH U O +61494 O O . HOH SJ . ? 1.5886 1.2766 1.1723 0.0061 0.0382 0.0104 202 HOH U O +61495 O O . HOH SJ . ? 0.8782 0.6894 0.6394 -0.0072 0.0150 -0.0072 203 HOH U O +61496 O O . HOH SJ . ? 1.3670 1.2214 1.1931 -0.0159 -0.0241 -0.0051 204 HOH U O +61497 O O A HOH SJ . ? 1.0152 0.8761 0.8569 -0.0168 -0.0108 -0.0048 205 HOH U O +61498 O O B HOH SJ . ? 1.0199 0.8808 0.8618 -0.0168 -0.0112 -0.0050 205 HOH U O +61499 O O . HOH SJ . ? 0.8838 0.6621 0.5918 0.0011 -0.0107 -0.0087 206 HOH U O +61500 O O . HOH SJ . ? 0.9424 0.7513 0.6938 -0.0025 -0.0208 0.0062 207 HOH U O +61501 O O . HOH SJ . ? 0.8951 0.7231 0.6805 -0.0126 0.0108 -0.0007 208 HOH U O +61502 O O . HOH SJ . ? 1.2070 0.9157 0.8336 0.0003 0.0240 0.0216 209 HOH U O +61503 O O . HOH SJ . ? 0.9714 0.8162 0.7821 -0.0154 0.0055 0.0005 210 HOH U O +61504 O O . HOH SJ . ? 1.1304 0.9821 0.9499 -0.0081 -0.0235 0.0167 211 HOH U O +61505 O O . HOH SJ . ? 0.7907 0.6112 0.5651 -0.0100 0.0072 -0.0032 212 HOH U O +61506 O O . HOH SJ . ? 0.8069 0.6469 0.6175 -0.0315 0.0363 0.0126 213 HOH U O +61507 O O . HOH SJ . ? 1.4599 1.1321 1.0087 0.0226 0.0038 -0.0013 214 HOH U O +61508 O O . HOH SJ . ? 1.0753 0.8933 0.8605 -0.0192 0.0073 0.0199 215 HOH U O +61509 O O . HOH SJ . ? 1.3167 1.0828 1.0012 0.0163 -0.0369 0.0096 216 HOH U O +61510 O O . HOH SJ . ? 1.3004 1.1160 1.0828 -0.0340 0.0445 0.0168 217 HOH U O +61511 O O . HOH SJ . ? 0.8580 0.6983 0.6641 -0.0186 0.0052 0.0104 218 HOH U O +61512 O O . HOH SJ . ? 0.9948 0.8311 0.7892 -0.0104 -0.0160 0.0085 219 HOH U O +61513 O O . HOH SJ . ? 0.7665 0.6053 0.5763 -0.0165 -0.0054 0.0184 220 HOH U O +61514 O O . HOH SJ . ? 0.7716 0.6148 0.5842 -0.0231 0.0140 0.0121 221 HOH U O +61515 O O . HOH SJ . ? 0.7491 0.5651 0.5212 -0.0195 0.0254 0.0102 222 HOH U O +61516 O O . HOH SJ . ? 1.1599 0.9012 0.8129 0.0084 0.0011 -0.0122 223 HOH U O +61517 O O . HOH SJ . ? 0.7370 0.5978 0.5779 -0.0185 -0.0236 -0.0063 224 HOH U O +61518 O O . HOH SJ . ? 1.2428 0.9989 0.9422 -0.0086 0.0147 0.0232 225 HOH U O +61519 O O . HOH SJ . ? 1.3416 1.0725 0.9680 0.0224 -0.0393 -0.0015 226 HOH U O +61520 O O . HOH SJ . ? 0.8195 0.6427 0.5961 -0.0102 -0.0078 0.0067 227 HOH U O +61521 O O . HOH SJ . ? 1.1912 0.9178 0.8293 0.0164 -0.0173 0.0160 228 HOH U O +61522 O O . HOH SJ . ? 1.0974 0.9327 0.8916 -0.0121 -0.0094 0.0017 229 HOH U O +61523 O O . HOH SJ . ? 0.9708 0.7930 0.7543 -0.0257 0.0355 0.0119 230 HOH U O +61524 O O . HOH SJ . ? 0.8201 0.6415 0.5971 -0.0137 0.0041 0.0090 231 HOH U O +61525 O O . HOH SJ . ? 1.3769 1.1556 1.0983 -0.0171 0.0368 0.0136 232 HOH U O +61526 O O . HOH SJ . ? 1.0263 0.8121 0.7565 -0.0146 0.0261 0.0128 233 HOH U O +61527 O O . HOH SJ . ? 1.4496 1.1587 1.0724 -0.0012 0.0326 0.0178 234 HOH U O +61528 O O . HOH SJ . ? 1.0849 0.8555 0.7734 0.0076 -0.0385 -0.0134 235 HOH U O +61529 O O . HOH SJ . ? 1.0040 0.7840 0.7282 -0.0136 0.0225 0.0153 236 HOH U O +61530 O O . HOH SJ . ? 0.9489 0.7840 0.7447 -0.0138 0.0036 0.0011 237 HOH U O +61531 O O . HOH SJ . ? 1.0410 0.8500 0.8051 -0.0061 -0.0115 0.0184 238 HOH U O +61532 O O . HOH SJ . ? 1.0202 0.8011 0.7318 0.0124 -0.0329 0.0146 239 HOH U O +61533 O O . HOH SJ . ? 0.7660 0.5974 0.5562 -0.0136 -0.0023 0.0075 240 HOH U O +61534 O O . HOH SJ . ? 1.1950 0.9922 0.9525 -0.0169 0.0117 0.0213 241 HOH U O +61535 O O . HOH SJ . ? 0.7800 0.6362 0.6078 -0.0212 0.0111 0.0065 242 HOH U O +61536 O O . HOH SJ . ? 0.9458 0.7829 0.7441 -0.0129 -0.0049 0.0000 243 HOH U O +61537 O O . HOH SJ . ? 1.3698 1.1688 1.1292 -0.0250 0.0305 0.0191 244 HOH U O +61538 O O A HOH SJ . ? 1.0679 0.9224 0.9003 -0.0150 -0.0075 -0.0063 245 HOH U O +61539 O O B HOH SJ . ? 1.1207 0.9755 0.9543 -0.0150 -0.0074 -0.0066 245 HOH U O +61540 O O . HOH SJ . ? 1.0327 0.8351 0.7863 -0.0190 0.0309 0.0113 246 HOH U O +61541 O O . HOH SJ . ? 0.7903 0.6315 0.5953 -0.0159 -0.0023 0.0086 247 HOH U O +61542 O O . HOH TJ . ? 1.2129 0.9396 0.8899 0.0151 -0.0002 -0.0475 301 HOH V O +61543 O O . HOH TJ . ? 1.2125 0.9285 0.8523 0.0062 -0.0512 -0.0518 302 HOH V O +61544 O O . HOH TJ . ? 1.1009 0.9744 0.9693 -0.0288 -0.0391 -0.0105 303 HOH V O +61545 O O . HOH TJ . ? 0.9135 0.6814 0.6069 0.0038 -0.0151 -0.0148 304 HOH V O +61546 O O . HOH TJ . ? 0.8641 0.6212 0.5417 0.0028 0.0109 -0.0062 305 HOH V O +61547 O O . HOH TJ . ? 1.0922 0.9099 0.8648 -0.0081 -0.0187 -0.0116 306 HOH V O +61548 O O . HOH TJ . ? 0.9107 0.6595 0.5880 0.0089 0.0036 -0.0283 307 HOH V O +61549 O O . HOH TJ . ? 1.2094 0.9749 0.9635 -0.0316 -0.0706 -0.0555 308 HOH V O +61550 O O . HOH TJ . ? 1.3005 1.0784 1.0838 0.0022 -0.0093 -0.0357 309 HOH V O +61551 O O . HOH TJ . ? 1.1053 0.9060 0.8469 -0.0030 -0.0286 -0.0133 310 HOH V O +61552 O O . HOH TJ . ? 1.0163 0.7576 0.7353 -0.0067 -0.0367 -0.0500 311 HOH V O +61553 O O . HOH TJ . ? 1.0220 0.7525 0.6852 0.0087 -0.0205 -0.0417 312 HOH V O +61554 O O . HOH TJ . ? 1.2740 1.0098 0.9267 0.0125 0.0197 -0.0259 313 HOH V O +61555 O O . HOH TJ . ? 0.9825 0.8094 0.7669 -0.0102 -0.0316 -0.0127 314 HOH V O +61556 O O . HOH TJ . ? 0.8434 0.6616 0.6446 0.0018 0.0076 -0.0244 315 HOH V O +61557 O O . HOH TJ . ? 1.0728 0.8881 0.8361 0.0097 0.0612 -0.0249 316 HOH V O +61558 O O . HOH TJ . ? 1.1182 0.8508 0.7738 0.0135 0.0078 -0.0332 317 HOH V O +61559 O O . HOH TJ . ? 0.7640 0.5536 0.4987 -0.0007 0.0030 -0.0177 318 HOH V O +61560 O O . HOH TJ . ? 0.7485 0.6009 0.5869 -0.0210 -0.0316 -0.0133 319 HOH V O +61561 O O . HOH TJ . ? 1.3261 1.0965 1.0967 0.0058 -0.0063 -0.0385 320 HOH V O +61562 O O . HOH TJ . ? 0.8311 0.6523 0.6138 -0.0139 -0.0468 -0.0233 321 HOH V O +61563 O O . HOH TJ . ? 0.7927 0.5847 0.5264 -0.0023 0.0095 -0.0118 322 HOH V O +61564 O O . HOH TJ . ? 0.8684 0.6946 0.6594 0.0003 0.0271 -0.0186 323 HOH V O +61565 O O . HOH TJ . ? 0.9913 0.8214 0.7830 -0.0072 0.0210 -0.0106 324 HOH V O +61566 O O . HOH TJ . ? 0.9769 0.7059 0.6412 0.0108 -0.0113 -0.0422 325 HOH V O +61567 O O . HOH TJ . ? 1.0172 0.8230 0.7724 -0.0026 0.0248 -0.0137 326 HOH V O +61568 O O . HOH TJ . ? 0.9400 0.7069 0.6428 0.0090 0.0266 -0.0258 327 HOH V O +61569 O O . HOH TJ . ? 0.8180 0.6217 0.5835 -0.0112 -0.0394 -0.0272 328 HOH V O +61570 O O . HOH TJ . ? 0.9100 0.7209 0.7224 -0.0263 -0.0420 -0.0306 329 HOH V O +61571 O O . HOH TJ . ? 0.9352 0.7381 0.6975 -0.0140 -0.0545 -0.0325 330 HOH V O +61572 O O . HOH TJ . ? 0.7956 0.6289 0.6103 0.0003 0.0132 -0.0203 331 HOH V O +61573 O O . HOH TJ . ? 1.1307 0.9621 0.9302 -0.0169 -0.0456 -0.0212 332 HOH V O +61574 O O . HOH TJ . ? 0.8821 0.6973 0.6882 -0.0160 -0.0280 -0.0254 333 HOH V O +61575 O O . HOH TJ . ? 1.0875 0.9278 0.9155 -0.0206 -0.0327 -0.0180 334 HOH V O +61576 O O . HOH TJ . ? 1.0606 0.8753 0.8346 -0.0013 0.0202 -0.0175 335 HOH V O +61577 O O . HOH TJ . ? 0.7155 0.5603 0.5432 -0.0177 -0.0261 -0.0140 336 HOH V O +61578 O O A HOH TJ . ? 0.9877 0.8304 0.8216 -0.0090 -0.0044 -0.0157 337 HOH V O +61579 O O B HOH TJ . ? 1.0164 0.8586 0.8504 -0.0087 -0.0044 -0.0160 337 HOH V O +61580 O O . HOH TJ . ? 0.9004 0.7168 0.6719 -0.0056 0.0179 -0.0114 338 HOH V O +61581 O O . HOH TJ . ? 1.0969 0.8395 0.7505 0.0096 -0.0119 -0.0149 339 HOH V O +61582 O O . HOH TJ . ? 0.8071 0.6403 0.6086 -0.0113 -0.0119 -0.0113 340 HOH V O +61583 O O . HOH TJ . ? 0.8555 0.6380 0.5791 0.0002 -0.0050 -0.0191 341 HOH V O +61584 O O . HOH TJ . ? 0.8381 0.6559 0.6452 -0.0018 -0.0011 -0.0240 342 HOH V O +61585 O O . HOH TJ . ? 1.0839 0.8277 0.7518 0.0066 -0.0314 -0.0339 343 HOH V O +61586 O O . HOH TJ . ? 1.5654 1.3214 1.2441 0.0118 0.0498 -0.0244 344 HOH V O +61587 O O . HOH TJ . ? 0.8136 0.6588 0.6448 -0.0164 -0.0202 -0.0136 345 HOH V O +61588 O O . HOH TJ . ? 1.0101 0.8320 0.8252 -0.0202 -0.0333 -0.0245 346 HOH V O +61589 O O . HOH TJ . ? 0.7643 0.5890 0.5799 -0.0152 -0.0234 -0.0216 347 HOH V O +61590 O O . HOH TJ . ? 0.8602 0.6288 0.5625 0.0033 -0.0058 -0.0216 348 HOH V O +61591 O O . HOH TJ . ? 0.8190 0.6479 0.6138 -0.0034 0.0202 -0.0155 349 HOH V O +61592 O O . HOH TJ . ? 0.8149 0.6159 0.5613 -0.0044 0.0175 -0.0098 350 HOH V O +61593 O O . HOH TJ . ? 1.0682 0.7953 0.7241 0.0135 -0.0021 -0.0396 351 HOH V O +61594 O O . HOH TJ . ? 0.9550 0.7775 0.7771 -0.0272 -0.0422 -0.0273 352 HOH V O +61595 O O . HOH TJ . ? 1.3253 1.1080 1.0453 0.0071 0.0438 -0.0220 353 HOH V O +61596 O O . HOH TJ . ? 1.2253 0.9803 0.9358 -0.0187 -0.0816 -0.0595 354 HOH V O +61597 O O . HOH TJ . ? 1.1605 1.0107 0.9782 -0.0158 -0.0394 -0.0109 355 HOH V O +61598 O O . HOH TJ . ? 1.0475 0.7922 0.7805 -0.0030 -0.0253 -0.0472 356 HOH V O +61599 O O . HOH TJ . ? 1.3631 1.1003 1.0157 0.0107 0.0097 -0.0228 357 HOH V O +61600 O O . HOH TJ . ? 1.1373 0.9876 0.9584 -0.0159 -0.0297 -0.0085 358 HOH V O +61601 O O . HOH TJ . ? 0.9950 0.7889 0.7929 -0.0035 -0.0125 -0.0309 359 HOH V O +61602 O O . HOH TJ . ? 1.1119 0.9272 0.8769 -0.0068 -0.0284 -0.0119 360 HOH V O +61603 O O . HOH TJ . ? 1.0929 0.8124 0.7736 0.0160 -0.0026 -0.0521 361 HOH V O +61604 O O . HOH TJ . ? 0.9862 0.8206 0.7815 -0.0119 -0.0059 -0.0031 362 HOH V O +61605 O O . HOH TJ . ? 1.3408 1.1183 1.0954 0.0306 0.0335 -0.0436 363 HOH V O +61606 O O . HOH TJ . ? 1.2468 1.0025 1.0034 -0.0337 -0.0652 -0.0561 364 HOH V O +61607 O O . HOH TJ . ? 1.2259 1.0137 0.9598 -0.0081 -0.0571 -0.0345 365 HOH V O +61608 O O . HOH TJ . ? 0.8659 0.6732 0.6489 0.0103 0.0206 -0.0293 366 HOH V O +61609 O O . HOH TJ . ? 1.3298 1.0930 1.0219 0.0007 -0.0547 -0.0359 367 HOH V O +61610 O O . HOH TJ . ? 1.2882 1.0227 0.9451 0.0071 -0.0393 -0.0397 368 HOH V O +61611 O O . HOH TJ . ? 1.4129 1.1656 1.1277 0.0231 0.0241 -0.0443 369 HOH V O +61612 O O . HOH TJ . ? 1.4453 1.2966 1.2607 -0.0155 -0.0481 -0.0132 370 HOH V O +61613 O O . HOH TJ . ? 1.5814 1.3094 1.2663 0.0162 0.0019 -0.0485 371 HOH V O +61614 O O . HOH TJ . ? 1.5573 1.2895 1.2030 0.0170 0.0443 -0.0289 372 HOH V O +61615 O O . HOH TJ . ? 0.9646 0.7711 0.7471 0.0060 0.0132 -0.0277 373 HOH V O +61616 O O . HOH TJ . ? 1.3104 1.1264 1.1258 0.0007 -0.0015 -0.0255 374 HOH V O +61617 O O . HOH TJ . ? 0.8762 0.7266 0.7182 -0.0230 -0.0331 -0.0152 375 HOH V O +61618 O O . HOH TJ . ? 0.9149 0.7463 0.7382 -0.0196 -0.0304 -0.0207 376 HOH V O +61619 O O . HOH TJ . ? 1.2215 1.0139 0.9679 -0.0119 -0.0573 -0.0357 377 HOH V O +61620 O O . HOH TJ . ? 1.2090 0.9454 0.8637 0.0115 0.0079 -0.0270 378 HOH V O +61621 O O . HOH TJ . ? 1.2123 1.0139 0.9581 -0.0053 0.0269 -0.0083 379 HOH V O +61622 O O . HOH UJ . ? 1.1426 0.8235 0.9473 -0.1014 0.0255 0.0360 201 HOH X O +61623 O O . HOH UJ . ? 1.0136 1.0600 1.0832 -0.1122 -0.0369 -0.0268 202 HOH X O +61624 O O . HOH UJ . ? 1.0122 0.9506 1.0047 -0.1141 -0.0180 -0.0078 203 HOH X O +61625 O O . HOH UJ . ? 0.9778 0.6688 0.7922 -0.1119 0.0307 0.0359 204 HOH X O +61626 O O . HOH UJ . ? 0.7789 0.7819 0.8085 -0.1042 -0.0490 -0.0268 205 HOH X O +61627 O O . HOH UJ . ? 1.1687 1.1378 1.1761 -0.1093 -0.0470 -0.0259 206 HOH X O +61628 O O . HOH UJ . ? 1.1271 1.1144 1.1421 -0.1016 -0.0532 -0.0276 207 HOH X O +61629 O O . HOH VJ . ? 0.7019 0.6154 0.6107 -0.0150 -0.0177 0.0174 501 HOH a O +61630 O O . HOH VJ . ? 1.1738 1.0699 1.0029 -0.0077 0.0649 0.0380 502 HOH a O +61631 O O B HOH VJ . ? 0.7983 0.6550 0.6488 0.0259 -0.0200 0.0164 503 HOH a O +61632 O O A HOH VJ . ? 1.2362 1.0839 1.0096 0.0205 -0.0690 0.0044 504 HOH a O +61633 O O B HOH VJ . ? 1.2576 1.1044 1.0298 0.0206 -0.0687 0.0044 504 HOH a O +61634 O O A HOH VJ . ? 0.7060 0.5703 0.5535 0.0411 -0.0108 0.0097 505 HOH a O +61635 O O B HOH VJ . ? 0.7135 0.5766 0.5599 0.0423 -0.0110 0.0097 505 HOH a O +61636 O O . HOH VJ . ? 1.1062 1.0390 0.9995 0.0006 -0.0814 -0.0087 506 HOH a O +61637 O O A HOH VJ . ? 1.0036 0.8290 0.7510 0.0185 -0.0449 0.0036 507 HOH a O +61638 O O B HOH VJ . ? 1.0026 0.8279 0.7500 0.0185 -0.0444 0.0038 507 HOH a O +61639 O O A HOH VJ . ? 0.7457 0.6499 0.6228 0.0575 -0.0161 0.0102 508 HOH a O +61640 O O B HOH VJ . ? 0.7475 0.6521 0.6247 0.0582 -0.0160 0.0101 508 HOH a O +61641 O O . HOH VJ . ? 1.0455 0.8839 0.8391 -0.0246 -0.0957 -0.0451 509 HOH a O +61642 O O . HOH VJ . ? 1.1765 1.0727 0.9872 0.0073 0.0784 0.0328 510 HOH a O +61643 O O A HOH VJ . ? 0.8306 0.6893 0.6802 0.0300 -0.0159 0.0131 511 HOH a O +61644 O O B HOH VJ . ? 0.8530 0.7106 0.7020 0.0291 -0.0159 0.0131 511 HOH a O +61645 O O A HOH VJ . ? 1.2716 1.1691 1.1262 0.0011 -0.0628 0.0027 512 HOH a O +61646 O O B HOH VJ . ? 1.2766 1.1739 1.1309 0.0012 -0.0627 0.0028 512 HOH a O +61647 O O . HOH VJ . ? 0.6786 0.5810 0.5674 -0.0026 -0.0139 0.0151 513 HOH a O +61648 O O . HOH VJ . ? 1.0873 1.0852 1.0490 0.0250 -0.0106 0.0103 514 HOH a O +61649 O O A HOH VJ . ? 0.9023 0.6445 0.6629 0.0271 -0.0134 0.0028 515 HOH a O +61650 O O B HOH VJ . ? 0.9023 0.6458 0.6637 0.0275 -0.0133 0.0029 515 HOH a O +61651 O O A HOH VJ . ? 0.8870 0.6429 0.6598 0.0061 -0.0163 -0.0034 516 HOH a O +61652 O O B HOH VJ . ? 0.8875 0.6432 0.6604 0.0060 -0.0162 -0.0033 516 HOH a O +61653 O O A HOH VJ . ? 0.8054 0.6346 0.6256 0.0257 -0.0111 0.0053 517 HOH a O +61654 O O B HOH VJ . ? 0.8062 0.6362 0.6271 0.0256 -0.0111 0.0054 517 HOH a O +61655 O O A HOH VJ . ? 0.7953 0.6412 0.6273 0.0572 -0.0163 0.0104 518 HOH a O +61656 O O B HOH VJ . ? 0.8000 0.6457 0.6320 0.0566 -0.0161 0.0104 518 HOH a O +61657 O O . HOH VJ . ? 0.7115 0.6099 0.5888 0.0443 -0.0246 0.0144 519 HOH a O +61658 O O A HOH VJ . ? 0.8638 0.6530 0.6359 0.0315 -0.0096 -0.0062 520 HOH a O +61659 O O B HOH VJ . ? 0.8642 0.6538 0.6367 0.0315 -0.0096 -0.0061 520 HOH a O +61660 O O A HOH VJ . ? 1.1465 0.9775 0.9054 0.0146 -0.0472 0.0004 521 HOH a O +61661 O O B HOH VJ . ? 1.1621 0.9922 0.9194 0.0150 -0.0476 0.0003 521 HOH a O +61662 O O . HOH VJ . ? 0.6223 0.5475 0.5276 0.0085 -0.0104 0.0164 522 HOH a O +61663 O O A HOH VJ . ? 0.9535 0.8021 0.7319 0.0182 -0.0600 0.0085 523 HOH a O +61664 O O B HOH VJ . ? 0.9535 0.8017 0.7313 0.0184 -0.0601 0.0086 523 HOH a O +61665 O O A HOH VJ . ? 0.8562 0.6848 0.6725 0.0378 -0.0089 0.0049 524 HOH a O +61666 O O B HOH VJ . ? 0.8456 0.6761 0.6633 0.0369 -0.0088 0.0050 524 HOH a O +61667 O O . HOH VJ . ? 0.7811 0.6760 0.6142 0.0038 0.0358 0.0295 525 HOH a O +61668 O O A HOH VJ . ? 1.0273 0.8903 0.8361 0.0108 -0.0429 0.0187 526 HOH a O +61669 O O B HOH VJ . ? 1.0289 0.8923 0.8381 0.0107 -0.0432 0.0186 526 HOH a O +61670 O O . HOH VJ . ? 1.3554 1.0620 1.1154 -0.0429 -0.0143 -0.0103 527 HOH a O +61671 O O . HOH VJ . ? 1.1214 0.7673 0.8145 0.0029 -0.0155 -0.0152 528 HOH a O +61672 O O A HOH VJ . ? 0.7272 0.5851 0.5690 0.0519 -0.0140 0.0101 529 HOH a O +61673 O O B HOH VJ . ? 0.7247 0.5821 0.5659 0.0521 -0.0138 0.0100 529 HOH a O +61674 O O A HOH VJ . ? 0.6798 0.5938 0.5661 0.0503 -0.0140 0.0107 530 HOH a O +61675 O O B HOH VJ . ? 0.6819 0.5958 0.5681 0.0505 -0.0142 0.0107 530 HOH a O +61676 O O A HOH VJ . ? 0.6465 0.5294 0.5133 0.0349 -0.0159 0.0133 531 HOH a O +61677 O O B HOH VJ . ? 0.6452 0.5274 0.5114 0.0348 -0.0159 0.0133 531 HOH a O +61678 O O A HOH VJ . ? 0.7332 0.5380 0.5397 0.0388 -0.0164 0.0118 532 HOH a O +61679 O O B HOH VJ . ? 0.7342 0.5391 0.5409 0.0389 -0.0165 0.0119 532 HOH a O +61680 O O . HOH VJ . ? 1.0546 0.9234 0.8447 0.0116 0.0458 0.0308 533 HOH a O +61681 O O A HOH VJ . ? 0.6944 0.5003 0.4969 -0.0051 -0.0240 -0.0069 534 HOH a O +61682 O O B HOH VJ . ? 0.6939 0.5000 0.4965 -0.0052 -0.0240 -0.0069 534 HOH a O +61683 O O A HOH VJ . ? 0.8276 0.7225 0.6727 0.0082 -0.0721 0.0015 535 HOH a O +61684 O O B HOH VJ . ? 0.8206 0.7160 0.6662 0.0082 -0.0724 0.0013 535 HOH a O +61685 O O . HOH VJ . ? 0.7549 0.6797 0.6621 0.0105 -0.0148 0.0165 536 HOH a O +61686 O O A HOH VJ . ? 0.8339 0.5761 0.5943 -0.0007 -0.0196 -0.0103 537 HOH a O +61687 O O B HOH VJ . ? 0.8351 0.5776 0.5957 -0.0008 -0.0196 -0.0103 537 HOH a O +61688 O O A HOH VJ . ? 0.6620 0.5245 0.5102 0.0315 -0.0111 0.0102 538 HOH a O +61689 O O B HOH VJ . ? 0.6632 0.5261 0.5117 0.0317 -0.0111 0.0102 538 HOH a O +61690 O O A HOH VJ . ? 0.7382 0.6010 0.5904 0.0249 -0.0134 0.0118 539 HOH a O +61691 O O B HOH VJ . ? 0.7402 0.6034 0.5929 0.0247 -0.0135 0.0118 539 HOH a O +61692 O O . HOH VJ . ? 0.8851 0.5886 0.6250 -0.0178 -0.0214 -0.0167 540 HOH a O +61693 O O A HOH VJ . ? 0.7336 0.6672 0.6327 0.0554 -0.0093 0.0088 541 HOH a O +61694 O O B HOH VJ . ? 0.7355 0.6689 0.6346 0.0551 -0.0094 0.0088 541 HOH a O +61695 O O A HOH VJ . ? 0.7322 0.6042 0.5877 0.0244 -0.0098 0.0104 542 HOH a O +61696 O O B HOH VJ . ? 0.7384 0.6095 0.5932 0.0244 -0.0099 0.0103 542 HOH a O +61697 O O A HOH VJ . ? 0.6339 0.5263 0.5150 0.0016 -0.0142 0.0142 543 HOH a O +61698 O O B HOH VJ . ? 0.6357 0.5279 0.5165 0.0017 -0.0142 0.0141 543 HOH a O +61699 O O A HOH VJ . ? 1.0277 0.8069 0.8085 0.0335 -0.0116 0.0006 544 HOH a O +61700 O O B HOH VJ . ? 1.0304 0.8095 0.8110 0.0335 -0.0116 0.0006 544 HOH a O +61701 O O . HOH VJ . ? 0.9772 0.9750 0.9413 0.0206 -0.0159 0.0106 545 HOH a O +61702 O O . HOH VJ . ? 0.9121 0.8100 0.7474 0.0143 0.0296 0.0218 546 HOH a O +61703 O O A HOH VJ . ? 0.8049 0.6334 0.6245 0.0574 -0.0200 0.0126 547 HOH a O +61704 O O B HOH VJ . ? 0.8276 0.6589 0.6493 0.0572 -0.0195 0.0122 547 HOH a O +61705 O O A HOH VJ . ? 0.7077 0.6380 0.6064 0.0533 -0.0149 0.0100 548 HOH a O +61706 O O B HOH VJ . ? 0.7087 0.6389 0.6074 0.0531 -0.0149 0.0100 548 HOH a O +61707 O O . HOH VJ . ? 1.1320 1.0569 1.0189 0.0017 -0.0745 -0.0031 549 HOH a O +61708 O O . HOH VJ . ? 0.9836 0.9656 0.9203 0.0573 -0.0036 0.0058 550 HOH a O +61709 O O A HOH VJ . ? 1.0133 0.7797 0.7700 0.0506 -0.0062 -0.0063 551 HOH a O +61710 O O B HOH VJ . ? 1.0174 0.7862 0.7757 0.0504 -0.0061 -0.0061 551 HOH a O +61711 O O A HOH VJ . ? 1.0302 0.8027 0.8115 0.0241 -0.0134 0.0020 552 HOH a O +61712 O O B HOH VJ . ? 1.0367 0.8100 0.8189 0.0235 -0.0135 0.0021 552 HOH a O +61713 O O . HOH VJ . ? 0.7445 0.6339 0.5809 0.0114 0.0116 0.0190 553 HOH a O +61714 O O A HOH VJ . ? 1.0096 0.8630 0.8254 0.0307 0.0007 0.0038 554 HOH a O +61715 O O B HOH VJ . ? 1.0230 0.8764 0.8384 0.0309 0.0010 0.0037 554 HOH a O +61716 O O . HOH VJ . ? 0.9805 0.5796 0.6668 -0.0609 -0.0140 -0.0267 555 HOH a O +61717 O O A HOH VJ . ? 0.8076 0.6556 0.5864 0.0200 0.0036 0.0136 556 HOH a O +61718 O O B HOH VJ . ? 0.8099 0.6577 0.5885 0.0201 0.0034 0.0135 556 HOH a O +61719 O O A HOH VJ . ? 0.6862 0.6138 0.5873 0.0222 -0.0062 0.0140 557 HOH a O +61720 O O B HOH VJ . ? 0.6877 0.6152 0.5887 0.0222 -0.0062 0.0140 557 HOH a O +61721 O O A HOH VJ . ? 0.8230 0.6416 0.5520 0.0270 0.0058 0.0161 558 HOH a O +61722 O O B HOH VJ . ? 0.8231 0.6416 0.5520 0.0270 0.0055 0.0159 558 HOH a O +61723 O O A HOH VJ . ? 0.7685 0.6256 0.5591 0.0204 0.0089 0.0141 559 HOH a O +61724 O O B HOH VJ . ? 0.7729 0.6298 0.5633 0.0206 0.0090 0.0140 559 HOH a O +61725 O O . HOH VJ . ? 1.0940 0.6673 0.7555 -0.0361 -0.0052 -0.0119 560 HOH a O +61726 O O A HOH VJ . ? 0.9029 0.6763 0.6778 0.0687 -0.0207 0.0125 561 HOH a O +61727 O O B HOH VJ . ? 0.9008 0.6748 0.6763 0.0681 -0.0206 0.0124 561 HOH a O +61728 O O . HOH VJ . ? 0.7939 0.6358 0.5542 0.0261 0.0186 0.0163 562 HOH a O +61729 O O A HOH VJ . ? 0.6283 0.5109 0.4943 0.0005 -0.0143 0.0109 563 HOH a O +61730 O O B HOH VJ . ? 0.6271 0.5097 0.4929 0.0005 -0.0142 0.0109 563 HOH a O +61731 O O . HOH VJ . ? 0.6699 0.6095 0.5844 0.0194 -0.0102 0.0149 564 HOH a O +61732 O O A HOH VJ . ? 1.0719 0.8788 0.8696 0.0425 -0.0087 0.0024 565 HOH a O +61733 O O B HOH VJ . ? 1.0939 0.9015 0.8926 0.0413 -0.0089 0.0025 565 HOH a O +61734 O O . HOH VJ . ? 1.1331 0.7595 0.8266 -0.0425 -0.0221 -0.0297 566 HOH a O +61735 O O A HOH VJ . ? 0.6961 0.5456 0.5351 0.0263 -0.0117 0.0091 567 HOH a O +61736 O O B HOH VJ . ? 0.6956 0.5454 0.5350 0.0261 -0.0118 0.0092 567 HOH a O +61737 O O A HOH VJ . ? 0.7613 0.5937 0.5951 0.0178 -0.0161 0.0131 568 HOH a O +61738 O O B HOH VJ . ? 0.7627 0.5964 0.5975 0.0178 -0.0161 0.0132 568 HOH a O +61739 O O A HOH VJ . ? 0.7538 0.5965 0.5859 0.0206 -0.0115 0.0068 569 HOH a O +61740 O O B HOH VJ . ? 0.7538 0.5970 0.5864 0.0206 -0.0115 0.0069 569 HOH a O +61741 O O . HOH VJ . ? 0.8766 0.5626 0.6070 -0.0204 -0.0193 -0.0162 570 HOH a O +61742 O O . HOH VJ . ? 1.1335 1.0097 0.9340 0.0053 0.0533 0.0343 571 HOH a O +61743 O O . HOH VJ . ? 1.0200 0.9759 0.9274 0.0679 0.0073 0.0040 572 HOH a O +61744 O O A HOH VJ . ? 0.6279 0.5240 0.5130 0.0054 -0.0149 0.0154 573 HOH a O +61745 O O B HOH VJ . ? 0.6267 0.5226 0.5117 0.0052 -0.0149 0.0154 573 HOH a O +61746 O O A HOH VJ . ? 0.7146 0.5666 0.5585 0.0213 -0.0131 0.0104 574 HOH a O +61747 O O B HOH VJ . ? 0.7112 0.5634 0.5554 0.0209 -0.0132 0.0105 574 HOH a O +61748 O O A HOH VJ . ? 0.8027 0.5712 0.5789 0.0388 -0.0129 0.0045 575 HOH a O +61749 O O B HOH VJ . ? 0.8018 0.5709 0.5784 0.0390 -0.0129 0.0045 575 HOH a O +61750 O O A HOH VJ . ? 0.8283 0.7154 0.6809 0.0662 0.0010 0.0044 576 HOH a O +61751 O O B HOH VJ . ? 0.8354 0.7214 0.6869 0.0664 0.0011 0.0043 576 HOH a O +61752 O O . HOH VJ . ? 1.4404 1.4267 1.3632 0.0658 0.0302 0.0023 577 HOH a O +61753 O O A HOH VJ . ? 0.7954 0.7174 0.6980 0.0143 -0.0127 0.0157 578 HOH a O +61754 O O B HOH VJ . ? 0.7982 0.7204 0.7009 0.0142 -0.0126 0.0157 578 HOH a O +61755 O O A HOH VJ . ? 0.9023 0.7160 0.7010 0.0532 -0.0059 0.0017 579 HOH a O +61756 O O B HOH VJ . ? 0.9031 0.7167 0.7018 0.0528 -0.0059 0.0018 579 HOH a O +61757 O O A HOH VJ . ? 0.9680 0.7584 0.6595 0.0324 -0.0182 0.0049 580 HOH a O +61758 O O B HOH VJ . ? 0.9732 0.7637 0.6648 0.0323 -0.0184 0.0050 580 HOH a O +61759 O O A HOH VJ . ? 0.7447 0.6505 0.6200 0.0449 -0.0031 0.0093 581 HOH a O +61760 O O B HOH VJ . ? 0.7465 0.6517 0.6212 0.0454 -0.0031 0.0092 581 HOH a O +61761 O O . HOH VJ . ? 1.0268 0.6741 0.7233 0.0057 -0.0131 -0.0095 582 HOH a O +61762 O O . HOH VJ . ? 1.0301 0.6662 0.7212 -0.0226 -0.0217 -0.0263 583 HOH a O +61763 O O . HOH VJ . ? 1.0961 0.6989 0.7633 -0.0034 -0.0126 -0.0148 584 HOH a O +61764 O O . HOH VJ . ? 0.9460 0.9039 0.8809 0.0084 -0.0134 0.0162 585 HOH a O +61765 O O A HOH VJ . ? 0.9179 0.6736 0.6810 0.0199 -0.0147 -0.0058 586 HOH a O +61766 O O B HOH VJ . ? 0.9206 0.6762 0.6837 0.0199 -0.0147 -0.0058 586 HOH a O +61767 O O A HOH VJ . ? 1.0514 0.8397 0.8398 0.0367 -0.0115 0.0029 587 HOH a O +61768 O O B HOH VJ . ? 1.0979 0.8878 0.8872 0.0365 -0.0114 0.0027 587 HOH a O +61769 O O . HOH VJ . ? 1.1719 0.8520 0.9114 -0.0423 -0.0146 -0.0136 588 HOH a O +61770 O O . HOH VJ . ? 1.0349 0.9113 0.8302 0.0098 0.0577 0.0323 589 HOH a O +61771 O O A HOH VJ . ? 0.7022 0.6228 0.5842 0.0693 -0.0023 0.0054 590 HOH a O +61772 O O B HOH VJ . ? 0.6978 0.6176 0.5794 0.0687 -0.0024 0.0055 590 HOH a O +61773 O O . HOH VJ . ? 0.8714 0.8282 0.7830 0.0594 0.0043 0.0060 591 HOH a O +61774 O O A HOH VJ . ? 0.7480 0.6924 0.6436 0.0647 0.0118 0.0045 592 HOH a O +61775 O O B HOH VJ . ? 0.7489 0.6935 0.6446 0.0650 0.0119 0.0044 592 HOH a O +61776 O O . HOH VJ . ? 0.9689 0.9885 0.9375 0.0486 0.0041 0.0043 593 HOH a O +61777 O O A HOH VJ . ? 0.9698 0.8590 0.8459 0.0246 -0.0205 0.0163 594 HOH a O +61778 O O B HOH VJ . ? 0.9832 0.8712 0.8581 0.0251 -0.0207 0.0163 594 HOH a O +61779 O O A HOH VJ . ? 1.2311 1.0858 1.0289 0.0111 -0.0334 0.0229 595 HOH a O +61780 O O B HOH VJ . ? 1.2325 1.0874 1.0306 0.0110 -0.0334 0.0228 595 HOH a O +61781 O O . HOH VJ . ? 0.9902 0.9777 0.9317 0.0604 -0.0078 0.0050 596 HOH a O +61782 O O A HOH VJ . ? 0.7658 0.5670 0.5723 0.0292 -0.0156 0.0113 597 HOH a O +61783 O O B HOH VJ . ? 0.7629 0.5651 0.5702 0.0292 -0.0156 0.0113 597 HOH a O +61784 O O A HOH VJ . ? 0.8582 0.6824 0.6645 0.0127 -0.0150 -0.0012 598 HOH a O +61785 O O B HOH VJ . ? 0.8626 0.6876 0.6694 0.0129 -0.0148 -0.0010 598 HOH a O +61786 O O A HOH VJ . ? 1.1203 0.9331 0.8473 0.0278 -0.0427 0.0207 599 HOH a O +61787 O O B HOH VJ . ? 1.0965 0.9103 0.8251 0.0276 -0.0434 0.0205 599 HOH a O +61788 O O A HOH VJ . ? 0.7891 0.6532 0.6411 0.0174 -0.0119 0.0102 600 HOH a O +61789 O O B HOH VJ . ? 0.8136 0.6765 0.6645 0.0177 -0.0119 0.0101 600 HOH a O +61790 O O A HOH VJ . ? 1.0633 0.8696 0.8640 0.0396 -0.0105 0.0041 601 HOH a O +61791 O O B HOH VJ . ? 1.0752 0.8803 0.8750 0.0393 -0.0106 0.0039 601 HOH a O +61792 O O A HOH VJ . ? 0.8773 0.7024 0.6811 0.0611 -0.0027 0.0012 602 HOH a O +61793 O O B HOH VJ . ? 0.8792 0.7047 0.6834 0.0606 -0.0027 0.0013 602 HOH a O +61794 O O . HOH VJ . ? 1.0786 0.8942 0.8001 0.0261 0.0139 0.0226 603 HOH a O +61795 O O . HOH VJ . ? 1.1928 0.8317 0.8991 -0.0312 -0.0106 -0.0108 604 HOH a O +61796 O O A HOH VJ . ? 1.2068 1.0242 0.9380 0.0281 -0.0517 0.0155 605 HOH a O +61797 O O B HOH VJ . ? 1.1913 1.0101 0.9248 0.0276 -0.0518 0.0153 605 HOH a O +61798 O O A HOH VJ . ? 0.6722 0.5956 0.5740 0.0148 -0.0098 0.0154 606 HOH a O +61799 O O B HOH VJ . ? 0.6731 0.5964 0.5749 0.0145 -0.0099 0.0154 606 HOH a O +61800 O O . HOH VJ . ? 0.8983 0.6095 0.6452 -0.0054 -0.0154 -0.0060 607 HOH a O +61801 O O . HOH VJ . ? 0.7855 0.5926 0.5974 -0.0271 -0.0348 -0.0152 608 HOH a O +61802 O O . HOH VJ . ? 1.2900 0.8514 0.9290 -0.0115 -0.0128 -0.0215 609 HOH a O +61803 O O A HOH VJ . ? 0.8880 0.6361 0.6565 -0.0022 -0.0183 -0.0070 610 HOH a O +61804 O O B HOH VJ . ? 0.8895 0.6372 0.6578 -0.0025 -0.0184 -0.0071 610 HOH a O +61805 O O A HOH VJ . ? 1.1321 0.9491 0.8661 0.0221 -0.0214 0.0235 611 HOH a O +61806 O O B HOH VJ . ? 1.1376 0.9542 0.8711 0.0222 -0.0214 0.0237 611 HOH a O +61807 O O A HOH VJ . ? 0.9971 0.7881 0.7825 0.0378 -0.0097 0.0000 612 HOH a O +61808 O O B HOH VJ . ? 0.9999 0.7913 0.7856 0.0377 -0.0097 0.0000 612 HOH a O +61809 O O A HOH VJ . ? 0.9224 0.7196 0.7065 0.0666 -0.0057 0.0003 613 HOH a O +61810 O O B HOH VJ . ? 0.9315 0.7293 0.7158 0.0675 -0.0056 0.0003 613 HOH a O +61811 O O A HOH VJ . ? 0.7433 0.6451 0.6124 0.0728 -0.0095 0.0063 614 HOH a O +61812 O O B HOH VJ . ? 0.7446 0.6456 0.6131 0.0725 -0.0094 0.0063 614 HOH a O +61813 O O . HOH VJ . ? 1.1777 0.7536 0.8468 -0.0517 -0.0054 -0.0162 615 HOH a O +61814 O O . HOH VJ . ? 0.9037 0.9139 0.8744 0.0249 -0.0046 0.0093 616 HOH a O +61815 O O A HOH VJ . ? 0.8735 0.6746 0.6706 0.0552 -0.0134 0.0073 617 HOH a O +61816 O O B HOH VJ . ? 0.8759 0.6771 0.6732 0.0549 -0.0134 0.0073 617 HOH a O +61817 O O . HOH VJ . ? 1.0195 0.8844 0.8093 0.0065 0.0448 0.0346 618 HOH a O +61818 O O A HOH VJ . ? 0.8339 0.6442 0.6362 0.0560 -0.0114 0.0060 619 HOH a O +61819 O O B HOH VJ . ? 0.8540 0.6652 0.6572 0.0558 -0.0116 0.0062 619 HOH a O +61820 O O A HOH VJ . ? 0.8110 0.6501 0.6388 0.0300 -0.0103 0.0069 620 HOH a O +61821 O O B HOH VJ . ? 0.8131 0.6522 0.6410 0.0299 -0.0104 0.0069 620 HOH a O +61822 O O A HOH VJ . ? 0.7540 0.5999 0.5941 0.0312 -0.0172 0.0137 621 HOH a O +61823 O O B HOH VJ . ? 0.7399 0.5864 0.5807 0.0304 -0.0171 0.0137 621 HOH a O +61824 O O . HOH VJ . ? 1.1395 1.0315 0.9823 -0.0074 0.0282 0.0349 622 HOH a O +61825 O O A HOH VJ . ? 0.7237 0.6373 0.6059 0.0656 -0.0153 0.0085 623 HOH a O +61826 O O B HOH VJ . ? 0.7274 0.6420 0.6102 0.0660 -0.0154 0.0085 623 HOH a O +61827 O O . HOH VJ . ? 1.0497 0.9024 0.8184 0.0155 0.0413 0.0303 624 HOH a O +61828 O O A HOH VJ . ? 1.2832 1.0829 1.0096 0.0125 -0.0597 -0.0192 625 HOH a O +61829 O O B HOH VJ . ? 1.2860 1.0859 1.0130 0.0122 -0.0599 -0.0194 625 HOH a O +61830 O O A HOH VJ . ? 0.8181 0.7572 0.7147 0.0700 -0.0009 0.0049 626 HOH a O +61831 O O B HOH VJ . ? 0.8201 0.7595 0.7169 0.0699 -0.0009 0.0049 626 HOH a O +61832 O O A HOH VJ . ? 0.7908 0.6429 0.6298 0.0248 -0.0104 0.0082 627 HOH a O +61833 O O B HOH VJ . ? 0.8980 0.7515 0.7386 0.0246 -0.0106 0.0085 627 HOH a O +61834 O O . HOH VJ . ? 1.1605 1.0372 0.9964 0.0045 -0.0359 0.0233 628 HOH a O +61835 O O A HOH VJ . ? 1.1778 0.9577 0.9630 0.0323 -0.0127 0.0038 629 HOH a O +61836 O O B HOH VJ . ? 1.1727 0.9564 0.9608 0.0321 -0.0127 0.0040 629 HOH a O +61837 O O . HOH VJ . ? 1.0544 0.7155 0.7634 0.0054 -0.0117 -0.0037 630 HOH a O +61838 O O A HOH VJ . ? 0.6395 0.5733 0.5481 0.0178 -0.0077 0.0150 631 HOH a O +61839 O O B HOH VJ . ? 0.6403 0.5738 0.5488 0.0176 -0.0078 0.0150 631 HOH a O +61840 O O . HOH WJ . ? 1.3185 1.1498 1.1619 -0.0360 0.0028 0.0225 701 HOH b O +61841 O O . HOH WJ . ? 1.1415 0.9424 0.9733 -0.0713 0.0299 0.0193 702 HOH b O +61842 O O . HOH WJ . ? 1.4251 1.2160 1.2379 -0.0479 0.0160 0.0244 703 HOH b O +61843 O O . HOH WJ . ? 1.0094 0.7304 0.7888 -0.0580 0.0023 0.0052 704 HOH b O +61844 O O . HOH WJ . ? 1.0797 0.7772 0.8358 -0.0657 0.0229 0.0198 705 HOH b O +61845 O O . HOH WJ . ? 1.1384 1.1111 1.1409 -0.1061 0.0299 -0.0183 706 HOH b O +61846 O O . HOH WJ . ? 0.8577 0.8649 0.9086 -0.1476 -0.0250 -0.0639 707 HOH b O +61847 O O . HOH WJ . ? 1.1566 0.8902 0.9197 -0.0579 0.0333 0.0300 708 HOH b O +61848 O O . HOH WJ . ? 0.8941 0.9696 0.9311 -0.0069 -0.1166 -0.0539 709 HOH b O +61849 O O . HOH WJ . ? 0.7739 0.6822 0.7190 -0.0983 0.0124 -0.0095 710 HOH b O +61850 O O . HOH WJ . ? 0.6623 0.6365 0.6552 -0.0756 -0.0133 -0.0171 711 HOH b O +61851 O O . HOH WJ . ? 0.6871 0.6205 0.6325 -0.0501 -0.0130 0.0035 712 HOH b O +61852 O O . HOH WJ . ? 0.7868 0.7365 0.7724 -0.1090 -0.0134 -0.0312 713 HOH b O +61853 O O . HOH WJ . ? 1.0325 0.7492 0.7692 0.0154 -0.0116 0.0294 714 HOH b O +61854 O O . HOH WJ . ? 0.8555 0.6654 0.7292 -0.1181 0.0224 -0.0077 715 HOH b O +61855 O O . HOH WJ . ? 0.8392 0.7599 0.7806 -0.0662 -0.0039 -0.0005 716 HOH b O +61856 O O . HOH WJ . ? 1.2776 1.1112 1.1371 -0.0705 0.0267 0.0161 717 HOH b O +61857 O O . HOH WJ . ? 1.1789 0.8818 0.9457 -0.0829 0.0310 0.0172 718 HOH b O +61858 O O . HOH WJ . ? 0.7466 0.5786 0.6019 -0.0378 -0.0089 0.0115 719 HOH b O +61859 O O . HOH WJ . ? 1.4645 1.3319 1.2582 -0.0031 -0.1223 -0.0445 720 HOH b O +61860 O O . HOH WJ . ? 0.8245 0.6677 0.7069 -0.0780 0.0019 0.0002 721 HOH b O +61861 O O . HOH WJ . ? 0.6845 0.6781 0.6475 0.0138 -0.0889 -0.0163 722 HOH b O +61862 O O . HOH WJ . ? 0.7657 0.5728 0.6149 -0.0667 -0.0053 -0.0001 723 HOH b O +61863 O O . HOH WJ . ? 1.1064 1.1769 1.1472 -0.0364 -0.1125 -0.0628 724 HOH b O +61864 O O . HOH WJ . ? 0.6037 0.5536 0.5778 -0.0861 -0.0244 -0.0243 725 HOH b O +61865 O O . HOH WJ . ? 0.9379 0.7172 0.7302 0.0153 -0.0165 0.0216 726 HOH b O +61866 O O . HOH WJ . ? 0.7255 0.6279 0.6478 -0.0673 0.0138 0.0068 727 HOH b O +61867 O O . HOH WJ . ? 0.7435 0.6239 0.6529 -0.0706 -0.0037 0.0001 728 HOH b O +61868 O O . HOH WJ . ? 1.3804 1.0073 1.0615 -0.0339 0.0209 0.0331 729 HOH b O +61869 O O . HOH WJ . ? 1.0531 1.0035 1.0102 -0.0436 0.0064 0.0041 730 HOH b O +61870 O O . HOH WJ . ? 0.8693 0.6690 0.7023 -0.0538 0.0073 0.0160 731 HOH b O +61871 O O . HOH WJ . ? 0.9110 0.8217 0.8351 -0.0511 -0.0007 0.0098 732 HOH b O +61872 O O . HOH WJ . ? 0.9081 0.6732 0.7152 -0.0646 0.0192 0.0184 733 HOH b O +61873 O O . HOH WJ . ? 0.7653 0.7105 0.7474 -0.1084 0.0051 -0.0222 734 HOH b O +61874 O O . HOH WJ . ? 0.7567 0.6045 0.6254 -0.0398 -0.0110 0.0098 735 HOH b O +61875 O O . HOH WJ . ? 0.8438 0.6143 0.6677 -0.0860 0.0235 0.0103 736 HOH b O +61876 O O . HOH WJ . ? 0.8115 0.6795 0.7227 -0.0954 -0.0036 -0.0128 737 HOH b O +61877 O O . HOH WJ . ? 0.8391 0.7518 0.7646 -0.0487 -0.0050 0.0096 738 HOH b O +61878 O O . HOH WJ . ? 0.6874 0.5238 0.5488 -0.0438 -0.0114 0.0067 739 HOH b O +61879 O O . HOH WJ . ? 1.2636 0.9508 0.9769 0.0545 -0.0178 0.0179 740 HOH b O +61880 O O . HOH WJ . ? 1.0391 1.0590 1.0719 -0.0704 0.0113 -0.0198 741 HOH b O +61881 O O . HOH WJ . ? 0.7930 0.6859 0.6916 -0.0272 -0.0144 0.0165 742 HOH b O +61882 O O . HOH WJ . ? 0.7059 0.6415 0.6647 -0.0787 -0.0211 -0.0171 743 HOH b O +61883 O O . HOH WJ . ? 0.8019 0.6433 0.6804 -0.0740 0.0046 0.0039 744 HOH b O +61884 O O . HOH WJ . ? 1.0706 0.9310 0.9401 -0.0257 -0.0100 0.0193 745 HOH b O +61885 O O A HOH WJ . ? 0.8573 0.7346 0.6755 0.0121 -0.0725 0.0015 746 HOH b O +61886 O O B HOH WJ . ? 0.8552 0.7330 0.6741 0.0123 -0.0724 0.0017 746 HOH b O +61887 O O . HOH WJ . ? 0.7176 0.6646 0.6934 -0.0939 -0.0195 -0.0258 747 HOH b O +61888 O O . HOH WJ . ? 1.0199 0.8279 0.8528 -0.0434 0.0048 0.0198 748 HOH b O +61889 O O . HOH WJ . ? 0.8904 0.6080 0.6362 0.0068 -0.0087 0.0250 749 HOH b O +61890 O O . HOH WJ . ? 0.7909 0.7394 0.7012 -0.0089 -0.0902 -0.0207 750 HOH b O +61891 O O . HOH WJ . ? 0.8509 0.8104 0.8491 -0.1181 -0.0128 -0.0369 751 HOH b O +61892 O O . HOH WJ . ? 0.9097 0.8731 0.9320 -0.1620 -0.0008 -0.0544 752 HOH b O +61893 O O . HOH WJ . ? 0.8032 0.5485 0.5921 -0.0402 0.0008 0.0139 753 HOH b O +61894 O O . HOH WJ . ? 0.8896 0.7835 0.7429 0.0063 -0.0561 0.0123 754 HOH b O +61895 O O . HOH WJ . ? 0.7959 0.6649 0.6839 -0.0465 -0.0060 0.0117 755 HOH b O +61896 O O . HOH WJ . ? 1.1412 0.9369 1.0070 -0.1279 0.0316 -0.0071 756 HOH b O +61897 O O . HOH WJ . ? 0.6935 0.5636 0.5850 -0.0584 0.0063 0.0120 757 HOH b O +61898 O O . HOH WJ . ? 1.1214 0.8313 0.8919 -0.0620 0.0107 0.0111 758 HOH b O +61899 O O . HOH WJ . ? 0.7909 0.7277 0.7400 -0.0552 0.0051 0.0046 759 HOH b O +61900 O O . HOH WJ . ? 0.8027 0.6100 0.6606 -0.0888 0.0125 0.0016 760 HOH b O +61901 O O . HOH WJ . ? 0.8005 0.8217 0.7835 -0.0118 -0.1110 -0.0428 761 HOH b O +61902 O O . HOH WJ . ? 0.6098 0.5084 0.5269 -0.0553 -0.0060 0.0065 762 HOH b O +61903 O O . HOH WJ . ? 0.7391 0.5692 0.6077 -0.0699 -0.0057 -0.0010 763 HOH b O +61904 O O . HOH WJ . ? 0.9157 0.6275 0.6612 -0.0042 -0.0044 0.0244 764 HOH b O +61905 O O . HOH WJ . ? 1.1333 1.1209 1.0909 -0.0010 -0.0865 -0.0190 765 HOH b O +61906 O O . HOH WJ . ? 0.7681 0.7514 0.7294 -0.0386 -0.0900 -0.0392 766 HOH b O +61907 O O . HOH WJ . ? 0.9733 0.8365 0.8588 -0.0509 -0.0048 0.0101 767 HOH b O +61908 O O . HOH WJ . ? 1.2071 0.8722 0.9230 -0.0478 0.0244 0.0300 768 HOH b O +61909 O O . HOH WJ . ? 1.6185 1.3144 1.3613 -0.0876 0.0584 0.0298 769 HOH b O +61910 O O . HOH WJ . ? 0.9511 0.9544 0.9176 0.0253 -0.1007 -0.0207 770 HOH b O +61911 O O . HOH WJ . ? 0.7599 0.6737 0.6971 -0.0741 0.0108 0.0013 771 HOH b O +61912 O O . HOH WJ . ? 0.6242 0.4870 0.5022 -0.0355 -0.0155 0.0086 772 HOH b O +61913 O O . HOH WJ . ? 0.7173 0.6150 0.6288 -0.0450 -0.0135 0.0081 773 HOH b O +61914 O O . HOH WJ . ? 1.1968 0.9709 1.0300 -0.0885 0.0069 -0.0023 774 HOH b O +61915 O O . HOH WJ . ? 0.7043 0.6986 0.6836 -0.0415 -0.0786 -0.0350 775 HOH b O +61916 O O . HOH WJ . ? 0.7962 0.7554 0.7278 0.0086 -0.0761 -0.0043 776 HOH b O +61917 O O . HOH WJ . ? 0.7315 0.5861 0.6141 -0.0607 -0.0164 -0.0036 777 HOH b O +61918 O O . HOH WJ . ? 0.7633 0.7515 0.7683 -0.0753 0.0125 -0.0133 778 HOH b O +61919 O O . HOH WJ . ? 1.0743 0.9445 0.9694 -0.0780 0.0294 0.0098 779 HOH b O +61920 O O . HOH WJ . ? 1.1565 0.7905 0.8696 -0.0737 0.0278 0.0178 780 HOH b O +61921 O O . HOH WJ . ? 1.0895 0.8474 0.9106 -0.1185 0.0541 0.0105 781 HOH b O +61922 O O . HOH WJ . ? 1.1085 0.7784 0.8218 0.0146 -0.0085 0.0167 782 HOH b O +61923 O O . HOH WJ . ? 0.7669 0.6112 0.6282 -0.0294 -0.0119 0.0129 783 HOH b O +61924 O O . HOH WJ . ? 0.8389 0.7889 0.8211 -0.1026 -0.0197 -0.0309 784 HOH b O +61925 O O . HOH WJ . ? 0.8770 0.7179 0.7559 -0.0928 0.0347 0.0082 785 HOH b O +61926 O O . HOH WJ . ? 1.1326 0.8958 0.9147 -0.0050 -0.0081 0.0257 786 HOH b O +61927 O O . HOH WJ . ? 1.2175 0.9193 0.9512 0.0231 -0.0123 0.0183 787 HOH b O +61928 O O . HOH WJ . ? 1.1211 1.1239 1.0726 0.0012 -0.1254 -0.0426 788 HOH b O +61929 O O . HOH WJ . ? 0.7050 0.5296 0.5521 -0.0330 -0.0140 0.0068 789 HOH b O +61930 O O . HOH WJ . ? 1.0679 0.9377 0.9500 -0.0476 0.0067 0.0171 790 HOH b O +61931 O O . HOH WJ . ? 1.3568 1.3202 1.3738 -0.1503 0.0107 -0.0434 791 HOH b O +61932 O O . HOH WJ . ? 0.6470 0.5337 0.5485 -0.0436 -0.0143 0.0079 792 HOH b O +61933 O O . HOH WJ . ? 0.6895 0.5645 0.5966 -0.0754 -0.0107 -0.0066 793 HOH b O +61934 O O . HOH WJ . ? 1.0956 0.7222 0.7842 -0.0272 0.0114 0.0250 794 HOH b O +61935 O O . HOH WJ . ? 0.9567 0.8069 0.8162 -0.0333 -0.0019 0.0211 795 HOH b O +61936 O O . HOH WJ . ? 0.7087 0.6581 0.6815 -0.0824 -0.0200 -0.0200 796 HOH b O +61937 O O . HOH WJ . ? 1.2150 0.9263 0.9550 0.0299 -0.0137 0.0138 797 HOH b O +61938 O O . HOH WJ . ? 0.7725 0.7798 0.7575 0.0085 -0.0780 -0.0166 798 HOH b O +61939 O O . HOH WJ . ? 1.1139 1.1637 1.1166 0.0117 -0.1245 -0.0458 799 HOH b O +61940 O O . HOH WJ . ? 0.6254 0.5267 0.5433 -0.0517 -0.0102 0.0062 800 HOH b O +61941 O O . HOH WJ . ? 0.6547 0.5389 0.5473 -0.0308 -0.0178 0.0104 801 HOH b O +61942 O O . HOH WJ . ? 0.6369 0.6272 0.6225 -0.0335 -0.0492 -0.0143 802 HOH b O +61943 O O . HOH WJ . ? 0.7687 0.8050 0.7634 -0.0100 -0.1190 -0.0489 803 HOH b O +61944 O O . HOH WJ . ? 0.8783 0.6290 0.6615 -0.0150 -0.0065 0.0173 804 HOH b O +61945 O O . HOH WJ . ? 0.6610 0.5320 0.5528 -0.0507 -0.0145 0.0034 805 HOH b O +61946 O O . HOH WJ . ? 0.8458 0.9029 0.8779 -0.0415 -0.1048 -0.0587 806 HOH b O +61947 O O . HOH WJ . ? 0.8105 0.6692 0.7046 -0.0827 0.0165 0.0048 807 HOH b O +61948 O O . HOH WJ . ? 0.7235 0.6000 0.6107 -0.0387 -0.0038 0.0172 808 HOH b O +61949 O O . HOH WJ . ? 1.0207 0.9121 0.9567 -0.1085 0.0137 -0.0124 809 HOH b O +61950 O O . HOH WJ . ? 1.3165 1.1143 1.1553 -0.0913 0.0416 0.0150 810 HOH b O +61951 O O . HOH WJ . ? 0.9803 0.9364 0.9008 0.0095 -0.0854 -0.0087 811 HOH b O +61952 O O . HOH WJ . ? 0.9696 0.7165 0.7391 0.0045 -0.0105 0.0238 812 HOH b O +61953 O O . HOH WJ . ? 0.7346 0.6213 0.6535 -0.0839 0.0134 0.0006 813 HOH b O +61954 O O . HOH WJ . ? 1.0831 0.9062 0.9444 -0.0923 0.0397 0.0117 814 HOH b O +61955 O O . HOH WJ . ? 0.9477 0.9223 0.8849 0.0204 -0.0948 -0.0130 815 HOH b O +61956 O O . HOH WJ . ? 0.8875 0.9720 0.9390 -0.0292 -0.1159 -0.0640 816 HOH b O +61957 O O . HOH WJ . ? 0.8544 0.7668 0.7941 -0.0815 0.0127 -0.0015 817 HOH b O +61958 O O . HOH WJ . ? 0.9392 0.6842 0.7400 -0.0685 0.0085 0.0077 818 HOH b O +61959 O O . HOH WJ . ? 0.7783 0.6301 0.6516 -0.0437 -0.0132 0.0064 819 HOH b O +61960 O O . HOH WJ . ? 1.2871 0.9601 1.0149 -0.0960 0.0653 0.0305 820 HOH b O +61961 O O . HOH WJ . ? 1.2655 0.8852 0.9274 0.0130 -0.0008 0.0339 821 HOH b O +61962 O O . HOH WJ . ? 0.9145 0.7063 0.7297 -0.0371 0.0048 0.0229 822 HOH b O +61963 O O . HOH WJ . ? 1.2856 1.0843 1.1417 -0.1192 0.0501 0.0055 823 HOH b O +61964 O O . HOH WJ . ? 0.8727 0.7483 0.7802 -0.0815 0.0160 0.0038 824 HOH b O +61965 O O . HOH WJ . ? 0.8992 0.7821 0.7986 -0.0580 0.0117 0.0127 825 HOH b O +61966 O O . HOH WJ . ? 0.8617 0.8151 0.8458 -0.0972 -0.0005 -0.0198 826 HOH b O +61967 O O . HOH WJ . ? 1.1042 0.9768 0.9826 -0.0255 -0.0108 0.0197 827 HOH b O +61968 O O . HOH WJ . ? 1.1008 0.8765 0.9175 -0.0860 0.0417 0.0190 828 HOH b O +61969 O O . HOH WJ . ? 1.3048 1.0549 1.1073 -0.1092 0.0624 0.0183 829 HOH b O +61970 O O . HOH WJ . ? 1.1104 1.0124 0.9536 0.0102 -0.0928 -0.0114 830 HOH b O +61971 O O . HOH WJ . ? 1.3311 1.0262 1.0507 -0.0146 0.0073 0.0350 831 HOH b O +61972 O O . HOH WJ . ? 0.9506 0.8169 0.8236 -0.0208 -0.0130 0.0191 832 HOH b O +61973 O O . HOH WJ . ? 0.9110 0.7871 0.8329 -0.1052 0.0112 -0.0106 833 HOH b O +61974 O O . HOH WJ . ? 0.8351 0.7352 0.7492 -0.0494 -0.0021 0.0113 834 HOH b O +61975 O O . HOH WJ . ? 1.0472 0.8998 0.9555 -0.1253 0.0379 -0.0071 835 HOH b O +61976 O O . HOH WJ . ? 0.9111 0.6993 0.7498 -0.0784 0.0078 0.0036 836 HOH b O +61977 O O . HOH WJ . ? 1.0847 0.9357 0.9608 -0.0721 0.0255 0.0135 837 HOH b O +61978 O O . HOH WJ . ? 1.2553 0.9526 1.0192 -0.0925 0.0397 0.0181 838 HOH b O +61979 O O . HOH WJ . ? 0.8036 0.6297 0.6739 -0.0825 0.0079 0.0017 839 HOH b O +61980 O O . HOH WJ . ? 1.3156 0.9319 0.9848 0.0107 -0.0018 0.0257 840 HOH b O +61981 O O . HOH WJ . ? 1.1864 1.1535 1.1130 -0.0006 -0.0973 -0.0222 841 HOH b O +61982 O O A HOH WJ . ? 1.0757 0.9757 0.9299 0.0030 -0.0700 -0.0005 842 HOH b O +61983 O O B HOH WJ . ? 1.1181 1.0179 0.9722 0.0026 -0.0701 -0.0009 842 HOH b O +61984 O O . HOH WJ . ? 0.9880 0.7496 0.7992 -0.0730 0.0184 0.0136 843 HOH b O +61985 O O . HOH WJ . ? 1.1994 1.1424 1.2027 -0.1576 0.0127 -0.0436 844 HOH b O +61986 O O . HOH WJ . ? 1.3944 1.2736 1.2759 -0.0196 -0.0145 0.0200 845 HOH b O +61987 O O . HOH WJ . ? 1.0242 0.7809 0.8298 -0.0656 0.0133 0.0135 846 HOH b O +61988 O O . HOH WJ . ? 1.1946 0.8784 0.9250 -0.0630 0.0363 0.0308 847 HOH b O +61989 O O . HOH WJ . ? 0.7996 0.7502 0.7250 0.0100 -0.0712 0.0004 848 HOH b O +61990 O O . HOH WJ . ? 0.7873 0.5970 0.6351 -0.0598 -0.0096 -0.0005 849 HOH b O +61991 O O . HOH WJ . ? 1.2201 0.8668 0.9366 -0.0409 0.0055 0.0105 850 HOH b O +61992 O O . HOH WJ . ? 1.2068 0.9490 1.0069 -0.0753 0.0145 0.0093 851 HOH b O +61993 O O . HOH WJ . ? 1.0072 0.7324 0.7860 -0.0631 0.0166 0.0167 852 HOH b O +61994 O O . HOH WJ . ? 1.2490 0.9293 0.9545 0.0571 -0.0193 0.0211 853 HOH b O +61995 O O . HOH WJ . ? 1.1351 1.0774 1.0284 -0.0072 -0.1069 -0.0308 854 HOH b O +61996 O O . HOH WJ . ? 1.2455 0.9272 0.9578 -0.0370 0.0246 0.0363 855 HOH b O +61997 O O . HOH WJ . ? 0.8173 0.8651 0.8325 0.0240 -0.0989 -0.0314 856 HOH b O +61998 O O . HOH WJ . ? 1.0970 0.8558 0.9009 -0.0639 0.0165 0.0169 857 HOH b O +61999 O O . HOH WJ . ? 1.0255 1.0130 1.0575 -0.1388 0.0195 -0.0382 858 HOH b O +62000 O O . HOH WJ . ? 1.2696 1.0074 1.0573 -0.0641 0.0179 0.0175 859 HOH b O +62001 O O . HOH WJ . ? 1.2259 0.9813 1.0008 -0.0426 0.0205 0.0300 860 HOH b O +62002 O O . HOH WJ . ? 1.4582 1.1858 1.2039 -0.0131 0.0024 0.0327 861 HOH b O +62003 O O . HOH WJ . ? 0.7713 0.5721 0.5978 -0.0277 -0.0074 0.0151 862 HOH b O +62004 O O . HOH WJ . ? 0.9174 0.9538 0.9896 -0.1330 0.0170 -0.0454 863 HOH b O +62005 O O . HOH WJ . ? 0.8176 0.7206 0.7608 -0.1026 0.0094 -0.0124 864 HOH b O +62006 O O . HOH WJ . ? 1.0868 0.8041 0.8610 -0.0704 0.0225 0.0174 865 HOH b O +62007 O O . HOH WJ . ? 1.0927 0.8432 0.9009 -0.0857 0.0243 0.0111 866 HOH b O +62008 O O . HOH WJ . ? 0.6105 0.5479 0.5584 -0.0481 -0.0174 0.0023 867 HOH b O +62009 O O . HOH WJ . ? 0.8480 0.6577 0.6862 -0.0498 0.0062 0.0174 868 HOH b O +62010 O O . HOH WJ . ? 1.1415 1.0369 1.0498 -0.0505 0.0037 0.0128 869 HOH b O +62011 O O . HOH WJ . ? 1.5869 1.2603 1.3298 -0.0877 0.0396 0.0206 870 HOH b O +62012 O O . HOH WJ . ? 1.0623 0.9629 0.9691 -0.0306 -0.0160 0.0140 871 HOH b O +62013 O O . HOH WJ . ? 0.9994 1.0575 1.0784 -0.1021 0.0169 -0.0383 872 HOH b O +62014 O O . HOH WJ . ? 1.1759 0.9157 0.9704 -0.0694 0.0151 0.0126 873 HOH b O +62015 O O . HOH WJ . ? 0.9622 0.9242 0.9044 0.0224 -0.0725 -0.0005 874 HOH b O +62016 O O . HOH WJ . ? 1.3186 1.2121 1.2346 -0.0811 0.0336 0.0061 875 HOH b O +62017 O O . HOH WJ . ? 1.6045 1.3385 1.3561 -0.0278 0.0125 0.0330 876 HOH b O +62018 O O . HOH WJ . ? 1.3520 1.2040 1.2589 -0.1275 0.0452 -0.0053 877 HOH b O +62019 O O A HOH WJ . ? 1.3561 1.1839 1.1074 0.0060 -0.0936 -0.0294 878 HOH b O +62020 O O B HOH WJ . ? 1.3540 1.1822 1.1059 0.0060 -0.0935 -0.0293 878 HOH b O +62021 O O . HOH WJ . ? 1.1288 0.8583 0.8742 0.0446 -0.0202 0.0218 879 HOH b O +62022 O O . HOH WJ . ? 1.0014 0.9040 0.9337 -0.0854 0.0178 -0.0005 880 HOH b O +62023 O O . HOH WJ . ? 1.0246 0.9225 0.9367 -0.0513 0.0016 0.0117 881 HOH b O +62024 O O . HOH WJ . ? 1.1550 1.1530 1.1707 -0.0811 0.0182 -0.0167 882 HOH b O +62025 O O . HOH WJ . ? 1.5974 1.2973 1.3230 -0.0327 0.0197 0.0352 883 HOH b O +62026 O O . HOH WJ . ? 1.0203 0.9632 0.9401 0.0075 -0.0656 0.0040 884 HOH b O +62027 O O . HOH WJ . ? 0.8883 0.7365 0.7550 -0.0349 -0.0103 0.0127 885 HOH b O +62028 O O . HOH WJ . ? 1.2818 0.9026 0.9501 -0.0168 0.0140 0.0358 886 HOH b O +62029 O O . HOH WJ . ? 1.2312 1.1477 1.1662 -0.0747 0.0272 0.0037 887 HOH b O +62030 O O . HOH WJ . ? 1.0474 0.9788 1.0209 -0.1158 0.0109 -0.0218 888 HOH b O +62031 O O . HOH WJ . ? 1.1099 1.1751 1.2136 -0.1480 0.0004 -0.0630 889 HOH b O +62032 O O . HOH WJ . ? 1.3524 1.1712 1.2351 -0.1369 0.0537 -0.0032 890 HOH b O +62033 O O . HOH WJ . ? 1.2530 1.0723 1.1216 -0.0884 -0.0063 -0.0107 891 HOH b O +62034 O O . HOH WJ . ? 1.2596 1.1643 1.1749 -0.0533 0.0116 0.0114 892 HOH b O +62035 O O . HOH WJ . ? 1.1140 1.1513 1.1697 -0.0901 0.0136 -0.0299 893 HOH b O +62036 O O . HOH WJ . ? 1.2237 0.9437 0.9897 -0.0919 0.0581 0.0263 894 HOH b O +62037 O O . HOH WJ . ? 1.5495 1.1956 1.2587 -0.0225 0.0008 0.0122 895 HOH b O +62038 O O . HOH WJ . ? 1.2307 1.1093 1.1136 -0.0212 -0.0140 0.0192 896 HOH b O +62039 O O . HOH WJ . ? 0.7882 0.6992 0.7210 -0.0724 0.0146 0.0035 897 HOH b O +62040 O O . HOH WJ . ? 1.4349 1.1572 1.2188 -0.0707 0.0120 0.0087 898 HOH b O +62041 O O . HOH WJ . ? 0.8731 0.8638 0.8278 0.0200 -0.0967 -0.0174 899 HOH b O +62042 O O . HOH WJ . ? 1.1619 0.8651 0.8977 0.0231 -0.0123 0.0155 900 HOH b O +62043 O O . HOH WJ . ? 1.1553 1.0550 1.0601 -0.0278 -0.0156 0.0156 901 HOH b O +62044 O O A HOH XJ . ? 1.1706 0.8975 0.9138 0.0431 -0.0122 0.0004 601 HOH c O +62045 O O B HOH XJ . ? 1.1740 0.9010 0.9175 0.0427 -0.0123 0.0005 601 HOH c O +62046 O O A HOH XJ . ? 1.4277 1.2667 1.2539 0.0630 -0.0228 0.0131 602 HOH c O +62047 O O B HOH XJ . ? 1.4529 1.2932 1.2799 0.0638 -0.0229 0.0130 602 HOH c O +62048 O O A HOH XJ . ? 0.8018 0.7033 0.6589 0.0630 0.0116 0.0037 603 HOH c O +62049 O O B HOH XJ . ? 0.7950 0.6951 0.6509 0.0629 0.0116 0.0037 603 HOH c O +62050 O O . HOH XJ . ? 1.1583 0.9611 0.8671 0.0219 0.0156 0.0341 604 HOH c O +62051 O O . HOH XJ . ? 1.0401 0.7492 0.7341 0.1149 0.0054 -0.0172 605 HOH c O +62052 O O . HOH XJ . ? 1.0064 0.6630 0.6623 0.0761 -0.0036 -0.0255 606 HOH c O +62053 O O . HOH XJ . ? 1.3258 1.2680 1.2149 0.0914 0.0104 -0.0008 607 HOH c O +62054 O O . HOH XJ . ? 1.0144 0.9389 0.8909 0.0930 0.0052 -0.0002 608 HOH c O +62055 O O . HOH XJ . ? 1.3712 1.1663 1.0683 0.0270 0.0000 0.0289 609 HOH c O +62056 O O . HOH XJ . ? 0.7679 0.7448 0.6896 0.1003 -0.0052 -0.0020 610 HOH c O +62057 O O . HOH XJ . ? 1.4093 1.1294 1.1178 0.1198 0.0010 -0.0123 611 HOH c O +62058 O O A HOH XJ . ? 0.8022 0.6870 0.6509 0.0779 0.0008 0.0027 612 HOH c O +62059 O O B HOH XJ . ? 0.8026 0.6873 0.6513 0.0776 0.0008 0.0027 612 HOH c O +62060 O O . HOH XJ . ? 1.2544 0.8945 0.8997 0.0828 -0.0032 -0.0256 613 HOH c O +62061 O O . HOH XJ . ? 0.9334 0.7259 0.6777 0.1103 0.0222 -0.0150 614 HOH c O +62062 O O . HOH XJ . ? 1.1589 0.8417 0.8498 0.0680 -0.0067 -0.0146 615 HOH c O +62063 O O . HOH XJ . ? 1.2111 0.8994 0.7713 0.0584 -0.0270 -0.0306 616 HOH c O +62064 O O . HOH XJ . ? 1.0170 0.7141 0.7302 -0.0075 -0.0309 -0.0301 617 HOH c O +62065 O O . HOH XJ . ? 1.1432 0.9055 0.7804 0.0749 0.0464 -0.0078 618 HOH c O +62066 O O A HOH XJ . ? 0.8811 0.7492 0.7138 0.1039 -0.0042 -0.0002 619 HOH c O +62067 O O B HOH XJ . ? 0.8839 0.7520 0.7165 0.1042 -0.0041 -0.0003 619 HOH c O +62068 O O A HOH XJ . ? 0.9474 0.8000 0.7865 0.0442 -0.0130 0.0100 620 HOH c O +62069 O O . HOH XJ . ? 1.0522 0.8438 0.8082 0.1448 0.0086 -0.0131 621 HOH c O +62070 O O . HOH XJ . ? 1.1377 1.0050 0.9431 0.1661 0.0238 -0.0182 622 HOH c O +62071 O O . HOH XJ . ? 1.3022 1.0856 1.0566 0.1391 0.0029 -0.0103 623 HOH c O +62072 O O . HOH XJ . ? 0.8188 0.6334 0.5277 0.0466 0.0393 0.0095 624 HOH c O +62073 O O . HOH XJ . ? 1.5394 1.2197 1.0779 0.0722 -0.0021 -0.0260 625 HOH c O +62074 O O . HOH XJ . ? 0.8673 0.7082 0.6111 0.0660 0.0521 0.0003 626 HOH c O +62075 O O A HOH XJ . ? 0.9757 0.7949 0.7120 0.0212 -0.0158 0.0229 627 HOH c O +62076 O O B HOH XJ . ? 0.9752 0.7939 0.7108 0.0214 -0.0164 0.0230 627 HOH c O +62077 O O A HOH XJ . ? 0.9107 0.6773 0.6618 0.0795 -0.0008 -0.0067 628 HOH c O +62078 O O B HOH XJ . ? 0.9146 0.6805 0.6651 0.0796 -0.0008 -0.0069 628 HOH c O +62079 O O . HOH XJ . ? 1.2899 1.0348 0.9125 0.0568 0.0096 -0.0070 629 HOH c O +62080 O O . HOH XJ . ? 1.2364 1.0496 1.0158 0.1647 -0.0130 -0.0068 630 HOH c O +62081 O O . HOH XJ . ? 0.8906 0.6954 0.6634 0.1197 0.0055 -0.0082 631 HOH c O +62082 O O . HOH XJ . ? 1.1511 0.7914 0.8320 0.0194 -0.0148 -0.0165 632 HOH c O +62083 O O . HOH XJ . ? 0.9204 0.6358 0.6277 0.0719 -0.0025 -0.0150 633 HOH c O +62084 O O . HOH XJ . ? 1.0451 0.7447 0.6119 0.0943 0.0392 -0.0262 634 HOH c O +62085 O O . HOH XJ . ? 0.7115 0.5945 0.5660 0.0847 -0.0254 0.0089 635 HOH c O +62086 O O . HOH XJ . ? 0.8190 0.6192 0.6123 0.0719 -0.0273 0.0157 636 HOH c O +62087 O O . HOH XJ . ? 1.2406 1.0297 0.8825 0.0820 0.0888 0.0006 637 HOH c O +62088 O O A HOH XJ . ? 0.8642 0.6721 0.6616 0.0660 -0.0105 0.0047 638 HOH c O +62089 O O B HOH XJ . ? 0.8685 0.6760 0.6660 0.0649 -0.0107 0.0049 638 HOH c O +62090 O O . HOH XJ . ? 1.1298 0.8069 0.7967 0.1212 0.0056 -0.0212 639 HOH c O +62091 O O A HOH XJ . ? 1.0105 0.7496 0.7519 0.0588 -0.0083 -0.0047 640 HOH c O +62092 O O B HOH XJ . ? 1.0153 0.7538 0.7563 0.0589 -0.0083 -0.0047 640 HOH c O +62093 O O . HOH XJ . ? 1.3983 1.0720 0.9457 0.0785 0.0060 -0.0334 641 HOH c O +62094 O O A HOH XJ . ? 0.8267 0.6393 0.6121 0.0746 0.0030 -0.0033 642 HOH c O +62095 O O B HOH XJ . ? 0.8289 0.6410 0.6140 0.0742 0.0028 -0.0033 642 HOH c O +62096 O O . HOH XJ . ? 1.0072 0.7535 0.7443 0.1373 -0.0246 0.0044 643 HOH c O +62097 O O . HOH XJ . ? 0.8738 0.6811 0.6443 0.1207 0.0104 -0.0102 644 HOH c O +62098 O O A HOH XJ . ? 0.8920 0.6419 0.6549 0.0123 -0.0162 -0.0062 645 HOH c O +62099 O O B HOH XJ . ? 0.8957 0.6458 0.6588 0.0121 -0.0162 -0.0063 645 HOH c O +62100 O O . HOH XJ . ? 1.1462 0.8869 0.7473 0.0795 0.0497 -0.0088 646 HOH c O +62101 O O . HOH XJ . ? 1.1854 0.8662 0.8754 0.1049 -0.0077 -0.0071 647 HOH c O +62102 O O . HOH XJ . ? 1.0147 0.7233 0.7001 0.0761 0.0021 -0.0222 648 HOH c O +62103 O O . HOH XJ . ? 0.8344 0.6033 0.5990 0.0920 -0.0274 0.0135 649 HOH c O +62104 O O . HOH XJ . ? 0.8179 0.6530 0.6317 0.0990 -0.0268 0.0091 650 HOH c O +62105 O O . HOH XJ . ? 1.0909 0.7670 0.7743 0.0995 -0.0048 -0.0116 651 HOH c O +62106 O O . HOH XJ . ? 1.0520 0.9430 0.8913 0.1127 0.0145 -0.0060 652 HOH c O +62107 O O . HOH XJ . ? 1.1593 0.8500 0.7193 0.0722 0.0043 -0.0261 653 HOH c O +62108 O O A HOH XJ . ? 0.7169 0.6264 0.5935 0.0719 -0.0128 0.0071 654 HOH c O +62109 O O B HOH XJ . ? 0.7216 0.6302 0.5974 0.0721 -0.0128 0.0071 654 HOH c O +62110 O O . HOH XJ . ? 1.2677 1.0466 0.9674 0.0391 -0.0066 -0.0103 655 HOH c O +62111 O O . HOH XJ . ? 1.4616 1.2192 1.1016 0.0827 0.0453 -0.0140 656 HOH c O +62112 O O . HOH XJ . ? 0.9723 0.6643 0.6696 0.1141 -0.0088 -0.0054 657 HOH c O +62113 O O . HOH XJ . ? 1.2027 0.9493 0.8249 0.0638 0.0239 -0.0075 658 HOH c O +62114 O O A HOH XJ . ? 1.0923 0.7956 0.8045 0.0687 -0.0079 -0.0079 659 HOH c O +62115 O O B HOH XJ . ? 1.0935 0.7971 0.8061 0.0684 -0.0079 -0.0078 659 HOH c O +62116 O O . HOH XJ . ? 1.0837 0.9016 0.8579 0.1586 0.0101 -0.0143 660 HOH c O +62117 O O . HOH XJ . ? 0.9142 0.7339 0.6833 0.1362 0.0225 -0.0152 661 HOH c O +62118 O O A HOH XJ . ? 1.1634 0.8691 0.8857 0.0483 -0.0110 -0.0053 662 HOH c O +62119 O O B HOH XJ . ? 1.1726 0.8788 0.8954 0.0484 -0.0110 -0.0051 662 HOH c O +62120 O O . HOH XJ . ? 0.8953 0.6102 0.6095 0.0359 -0.0131 -0.0177 663 HOH c O +62121 O O . HOH XJ . ? 0.9727 0.6687 0.6754 0.0319 -0.0151 -0.0201 664 HOH c O +62122 O O A HOH XJ . ? 1.0595 0.8631 0.7700 0.0261 -0.0117 0.0240 665 HOH c O +62123 O O B HOH XJ . ? 1.0921 0.8958 0.8031 0.0260 -0.0122 0.0243 665 HOH c O +62124 O O . HOH XJ . ? 0.9015 0.7715 0.6782 0.0397 0.0553 0.0149 666 HOH c O +62125 O O . HOH XJ . ? 1.0879 0.7439 0.7873 0.0096 -0.0143 -0.0114 667 HOH c O +62126 O O . HOH XJ . ? 1.2955 1.0168 1.0189 0.1132 -0.0167 0.0029 668 HOH c O +62127 O O . HOH XJ . ? 0.8186 0.6364 0.6178 0.0967 -0.0356 0.0140 669 HOH c O +62128 O O A HOH XJ . ? 0.7903 0.6361 0.6005 0.0902 0.0060 -0.0025 670 HOH c O +62129 O O B HOH XJ . ? 0.7875 0.6319 0.5967 0.0897 0.0057 -0.0025 670 HOH c O +62130 O O A HOH XJ . ? 1.0685 0.7768 0.7893 0.0634 -0.0098 -0.0041 671 HOH c O +62131 O O B HOH XJ . ? 1.0929 0.8007 0.8138 0.0621 -0.0100 -0.0040 671 HOH c O +62132 O O . HOH XJ . ? 0.9282 0.7347 0.6796 0.0992 0.0255 -0.0132 672 HOH c O +62133 O O . HOH XJ . ? 1.0888 0.9239 0.8107 0.0459 0.0646 0.0158 673 HOH c O +62134 O O A HOH XJ . ? 0.7958 0.6599 0.6285 0.0995 -0.0092 0.0020 674 HOH c O +62135 O O B HOH XJ . ? 0.7969 0.6614 0.6300 0.0994 -0.0093 0.0021 674 HOH c O +62136 O O . HOH XJ . ? 0.9697 0.8416 0.7785 0.1498 0.0280 -0.0161 675 HOH c O +62137 O O . HOH XJ . ? 0.8187 0.6610 0.5768 0.0296 0.0244 0.0151 676 HOH c O +62138 O O . HOH XJ . ? 1.6584 1.5734 1.5180 0.1692 -0.0270 -0.0077 677 HOH c O +62139 O O . HOH XJ . ? 1.0538 0.7543 0.7739 0.0703 -0.0180 0.0115 678 HOH c O +62140 O O . HOH XJ . ? 1.2224 1.0559 0.9921 0.0045 0.0143 0.0407 679 HOH c O +62141 O O . HOH XJ . ? 0.9144 0.6076 0.6337 -0.0088 -0.0260 -0.0248 680 HOH c O +62142 O O A HOH XJ . ? 0.7717 0.5912 0.5785 0.0722 -0.0138 0.0069 681 HOH c O +62143 O O B HOH XJ . ? 0.7727 0.5925 0.5798 0.0721 -0.0137 0.0069 681 HOH c O +62144 O O . HOH XJ . ? 0.7633 0.6298 0.6003 0.1030 -0.0285 0.0075 682 HOH c O +62145 O O . HOH XJ . ? 0.7820 0.6663 0.6248 -0.0055 0.0045 0.0321 683 HOH c O +62146 O O . HOH XJ . ? 1.1331 1.0171 0.8895 0.0780 0.1042 0.0029 684 HOH c O +62147 O O A HOH XJ . ? 0.7596 0.6133 0.5941 0.0723 -0.0192 0.0097 685 HOH c O +62148 O O B HOH XJ . ? 0.7583 0.6118 0.5926 0.0727 -0.0194 0.0098 685 HOH c O +62149 O O . HOH XJ . ? 1.0944 0.8367 0.7381 0.0387 -0.0318 -0.0211 686 HOH c O +62150 O O . HOH XJ . ? 1.2480 0.9746 0.9546 0.0935 0.0052 -0.0165 687 HOH c O +62151 O O . HOH XJ . ? 1.2024 0.8928 0.7630 0.0857 0.0242 -0.0278 688 HOH c O +62152 O O A HOH XJ . ? 0.8505 0.7151 0.6771 0.0865 0.0059 -0.0008 689 HOH c O +62153 O O B HOH XJ . ? 0.8519 0.7163 0.6786 0.0861 0.0057 -0.0007 689 HOH c O +62154 O O . HOH XJ . ? 0.8088 0.7650 0.7117 0.0630 0.0178 0.0043 690 HOH c O +62155 O O . HOH XJ . ? 1.3566 0.9958 1.0145 0.0487 -0.0119 -0.0248 691 HOH c O +62156 O O . HOH XJ . ? 0.9678 0.7615 0.7051 0.1187 0.0294 -0.0177 692 HOH c O +62157 O O A HOH XJ . ? 0.8210 0.5560 0.5674 0.0293 -0.0130 -0.0063 693 HOH c O +62158 O O B HOH XJ . ? 0.8198 0.5556 0.5668 0.0291 -0.0131 -0.0062 693 HOH c O +62159 O O . HOH XJ . ? 0.9631 0.8205 0.7659 0.0034 -0.0007 0.0327 694 HOH c O +62160 O O . HOH XJ . ? 1.3611 1.0204 1.0333 0.1363 -0.0212 0.0040 695 HOH c O +62161 O O . HOH XJ . ? 0.8913 0.7927 0.7502 0.1114 -0.0079 -0.0006 696 HOH c O +62162 O O A HOH XJ . ? 0.7739 0.5767 0.5666 0.0739 -0.0121 0.0051 697 HOH c O +62163 O O B HOH XJ . ? 0.7748 0.5787 0.5683 0.0740 -0.0120 0.0051 697 HOH c O +62164 O O A HOH XJ . ? 0.7536 0.6183 0.5900 0.0872 -0.0099 0.0041 698 HOH c O +62165 O O B HOH XJ . ? 0.7532 0.6182 0.5897 0.0872 -0.0098 0.0040 698 HOH c O +62166 O O . HOH XJ . ? 1.0445 0.8306 0.8017 0.1267 0.0047 -0.0097 699 HOH c O +62167 O O A HOH XJ . ? 0.9099 0.6007 0.6237 0.0370 -0.0123 -0.0082 700 HOH c O +62168 O O B HOH XJ . ? 0.9102 0.6015 0.6246 0.0369 -0.0123 -0.0080 700 HOH c O +62169 O O . HOH XJ . ? 1.2369 0.8827 0.8924 0.0734 -0.0058 -0.0229 701 HOH c O +62170 O O . HOH XJ . ? 1.1348 1.0485 0.9968 0.0946 0.0140 -0.0021 702 HOH c O +62171 O O . HOH XJ . ? 1.0524 0.8464 0.7408 0.0361 0.0098 0.0136 703 HOH c O +62172 O O . HOH XJ . ? 0.8915 0.6883 0.5781 0.0540 0.0368 0.0036 704 HOH c O +62173 O O . HOH XJ . ? 1.0265 0.7580 0.7564 0.1132 -0.0136 0.0004 705 HOH c O +62174 O O . HOH XJ . ? 1.3421 1.2209 1.1435 0.1907 0.0405 -0.0263 706 HOH c O +62175 O O . HOH XJ . ? 1.2677 1.2264 1.1562 0.1069 0.0325 -0.0068 707 HOH c O +62176 O O A HOH XJ . ? 0.9954 0.8786 0.8412 0.0709 0.0045 0.0027 708 HOH c O +62177 O O B HOH XJ . ? 1.0000 0.8822 0.8450 0.0709 0.0044 0.0027 708 HOH c O +62178 O O . HOH XJ . ? 0.9926 0.7543 0.6663 0.0818 0.0308 -0.0181 709 HOH c O +62179 O O . HOH XJ . ? 1.0184 0.8226 0.7175 0.0477 0.0316 0.0063 710 HOH c O +62180 O O . HOH XJ . ? 1.4839 1.3315 1.1973 0.0572 0.1033 0.0152 711 HOH c O +62181 O O . HOH XJ . ? 0.9726 0.7684 0.7468 0.1376 -0.0333 0.0067 712 HOH c O +62182 O O . HOH XJ . ? 1.2209 0.8614 0.8830 0.0512 -0.0110 -0.0217 713 HOH c O +62183 O O . HOH XJ . ? 1.3807 1.0058 1.0374 0.0424 -0.0127 -0.0215 714 HOH c O +62184 O O A HOH XJ . ? 0.9113 0.6675 0.6719 0.0308 -0.0123 -0.0046 715 HOH c O +62185 O O B HOH XJ . ? 0.9140 0.6704 0.6748 0.0309 -0.0122 -0.0045 715 HOH c O +62186 O O . HOH XJ . ? 0.8533 0.8032 0.7560 0.0786 0.0010 0.0027 716 HOH c O +62187 O O . HOH XJ . ? 0.9086 0.7023 0.5830 0.0585 0.0475 0.0046 717 HOH c O +62188 O O . HOH XJ . ? 1.5469 1.3124 1.1927 0.0377 0.0079 0.0268 718 HOH c O +62189 O O . HOH XJ . ? 1.0733 0.8512 0.8287 0.1609 -0.0253 -0.0003 719 HOH c O +62190 O O . HOH XJ . ? 1.0029 0.6861 0.6976 0.1173 -0.0228 0.0084 720 HOH c O +62191 O O . HOH XJ . ? 1.2208 0.9771 0.9629 0.1436 -0.0355 0.0088 721 HOH c O +62192 O O . HOH XJ . ? 1.2078 1.1153 1.0603 0.1072 0.0173 -0.0051 722 HOH c O +62193 O O . HOH XJ . ? 1.2312 1.0349 1.0159 0.1116 -0.0372 0.0128 723 HOH c O +62194 O O . HOH XJ . ? 1.2091 1.0408 0.9701 0.1988 0.0390 -0.0289 724 HOH c O +62195 O O . HOH XJ . ? 1.1068 0.8263 0.8122 0.1734 -0.0109 -0.0091 725 HOH c O +62196 O O . HOH XJ . ? 1.2481 0.9334 0.7873 0.0652 -0.0185 -0.0228 726 HOH c O +62197 O O . HOH XJ . ? 1.1033 1.0293 0.9772 0.1403 -0.0177 -0.0048 727 HOH c O +62198 O O . HOH XJ . ? 1.2396 1.1997 1.1183 0.1411 0.0416 -0.0156 728 HOH c O +62199 O O . HOH XJ . ? 0.9066 0.6243 0.5961 0.0703 0.0016 -0.0220 729 HOH c O +62200 O O A HOH XJ . ? 0.8872 0.7235 0.7098 0.0686 -0.0221 0.0119 730 HOH c O +62201 O O B HOH XJ . ? 0.8891 0.7247 0.7109 0.0696 -0.0225 0.0120 730 HOH c O +62202 O O . HOH XJ . ? 1.1704 0.9318 0.7979 0.0760 0.0544 -0.0050 731 HOH c O +62203 O O . HOH XJ . ? 0.8768 0.7345 0.6765 0.0046 0.0028 0.0316 732 HOH c O +62204 O O . HOH XJ . ? 1.2052 1.1187 1.0682 0.1002 0.0103 -0.0025 733 HOH c O +62205 O O . HOH XJ . ? 1.6552 1.2632 1.2385 0.1630 0.0218 -0.0418 734 HOH c O +62206 O O A HOH XJ . ? 1.1126 0.9146 0.8204 0.0278 -0.0227 0.0197 735 HOH c O +62207 O O B HOH XJ . ? 1.1139 0.9160 0.8219 0.0278 -0.0228 0.0198 735 HOH c O +62208 O O . HOH XJ . ? 1.4614 1.2201 1.2023 0.1595 -0.0335 0.0046 736 HOH c O +62209 O O . HOH XJ . ? 1.0768 0.8899 0.8630 0.1297 -0.0446 0.0114 737 HOH c O +62210 O O . HOH XJ . ? 1.2638 1.1304 1.0267 0.0310 0.0742 0.0239 738 HOH c O +62211 O O . HOH XJ . ? 1.2760 1.0742 0.9525 0.0554 0.0525 0.0087 739 HOH c O +62212 O O . HOH XJ . ? 1.3702 1.2029 1.0653 0.0627 0.0990 0.0124 740 HOH c O +62213 O O . HOH XJ . ? 1.2690 1.0393 0.9051 0.0713 0.0569 -0.0006 741 HOH c O +62214 O O . HOH XJ . ? 1.2731 0.9461 0.9601 0.1156 -0.0164 0.0022 742 HOH c O +62215 O O . HOH XJ . ? 1.1656 1.0036 0.9341 0.0101 0.0066 0.0336 743 HOH c O +62216 O O . HOH XJ . ? 1.4336 1.1446 1.0955 0.1713 0.0327 -0.0329 744 HOH c O +62217 O O . HOH XJ . ? 1.2920 1.0987 1.0017 0.0224 0.0253 0.0332 745 HOH c O +62218 O O . HOH XJ . ? 1.1174 1.0941 1.0303 0.0739 0.0291 0.0008 746 HOH c O +62219 O O A HOH XJ . ? 0.9487 0.6631 0.6732 0.0569 -0.0094 -0.0062 747 HOH c O +62220 O O B HOH XJ . ? 0.9511 0.6646 0.6749 0.0568 -0.0094 -0.0063 747 HOH c O +62221 O O . HOH XJ . ? 1.2543 1.1728 1.0466 0.0457 0.1261 0.0172 748 HOH c O +62222 O O . HOH XJ . ? 1.4083 1.0910 1.1018 0.1208 -0.0203 0.0054 749 HOH c O +62223 O O . HOH XJ . ? 1.2435 1.1732 1.1198 0.1454 -0.0235 -0.0049 750 HOH c O +62224 O O . HOH XJ . ? 1.2752 1.0810 1.0259 0.1102 0.0272 -0.0148 751 HOH c O +62225 O O A HOH XJ . ? 0.9591 0.8076 0.7925 0.0619 -0.0191 0.0112 752 HOH c O +62226 O O B HOH XJ . ? 0.9700 0.8193 0.8039 0.0625 -0.0194 0.0113 752 HOH c O +62227 O O . HOH XJ . ? 1.2022 0.9046 0.9116 0.1107 -0.0146 0.0010 753 HOH c O +62228 O O . HOH XJ . ? 1.1569 0.8162 0.8304 0.1018 -0.0070 -0.0096 754 HOH c O +62229 O O . HOH XJ . ? 1.3338 1.3030 1.2279 0.1071 0.0390 -0.0076 755 HOH c O +62230 O O . HOH XJ . ? 1.0441 0.9891 0.9388 0.0849 0.0066 0.0009 756 HOH c O +62231 O O . HOH XJ . ? 1.2806 1.0219 1.0099 0.1535 -0.0297 0.0045 757 HOH c O +62232 O O A HOH XJ . ? 0.8366 0.7080 0.6724 0.0790 0.0029 0.0014 758 HOH c O +62233 O O B HOH XJ . ? 0.8419 0.7131 0.6777 0.0794 0.0027 0.0014 758 HOH c O +62234 O O A HOH XJ . ? 1.3681 1.1510 1.0435 0.0351 -0.0411 0.0072 759 HOH c O +62235 O O B HOH XJ . ? 1.3709 1.1534 1.0457 0.0353 -0.0414 0.0071 759 HOH c O +62236 O O . HOH XJ . ? 1.2763 0.9401 0.9477 0.1104 -0.0039 -0.0131 760 HOH c O +62237 O O . HOH YJ . ? 1.4553 1.2182 1.2790 -0.0945 -0.0217 -0.0281 501 HOH d O +62238 O O . HOH YJ . ? 0.9896 0.9846 0.9351 -0.0469 -0.1568 -0.0864 502 HOH d O +62239 O O . HOH YJ . ? 0.9360 0.7230 0.7708 -0.0693 -0.0043 -0.0016 503 HOH d O +62240 O O . HOH YJ . ? 0.8938 0.6492 0.6997 -0.0756 -0.0281 -0.0273 504 HOH d O +62241 O O . HOH YJ . ? 0.9182 0.7031 0.7490 -0.0650 -0.0098 -0.0047 505 HOH d O +62242 O O . HOH YJ . ? 0.8958 0.7703 0.7432 -0.0425 -0.0941 -0.0472 506 HOH d O +62243 O O . HOH YJ . ? 1.0770 0.8167 0.8646 -0.0513 -0.0170 -0.0115 507 HOH d O +62244 O O . HOH YJ . ? 0.7109 0.5423 0.5570 -0.0168 -0.0143 0.0123 508 HOH d O +62245 O O . HOH YJ . ? 0.8295 0.6370 0.6992 -0.1227 -0.0321 -0.0455 509 HOH d O +62246 O O A HOH YJ . ? 0.8873 0.7221 0.6490 0.0174 -0.0330 0.0169 510 HOH d O +62247 O O B HOH YJ . ? 0.8879 0.7224 0.6490 0.0176 -0.0332 0.0169 510 HOH d O +62248 O O . HOH YJ . ? 0.9374 0.6739 0.7014 0.0130 -0.0124 0.0150 511 HOH d O +62249 O O . HOH YJ . ? 1.8884 1.5694 1.6218 -0.0191 -0.0108 -0.0031 512 HOH d O +62250 O O A HOH YJ . ? 0.8948 0.6925 0.5974 0.0282 -0.0387 0.0030 513 HOH d O +62251 O O B HOH YJ . ? 0.8850 0.6828 0.5878 0.0281 -0.0396 0.0026 513 HOH d O +62252 O O . HOH YJ . ? 0.9356 0.6794 0.7213 -0.0645 -0.0365 -0.0326 514 HOH d O +62253 O O . HOH YJ . ? 0.9177 0.7863 0.7408 -0.0353 -0.1177 -0.0595 515 HOH d O +62254 O O . HOH YJ . ? 0.7099 0.6275 0.5948 -0.0076 -0.0638 -0.0021 516 HOH d O +62255 O O A HOH YJ . ? 1.0178 0.9025 0.8575 -0.0001 -0.0558 0.0032 517 HOH d O +62256 O O B HOH YJ . ? 1.0198 0.9046 0.8596 -0.0002 -0.0557 0.0032 517 HOH d O +62257 O O . HOH YJ . ? 1.2201 1.1176 1.1004 0.0317 -0.0240 0.0161 518 HOH d O +62258 O O . HOH YJ . ? 0.6573 0.5278 0.5234 -0.0145 -0.0216 0.0067 519 HOH d O +62259 O O . HOH YJ . ? 0.9373 0.7281 0.7688 -0.0562 -0.0095 -0.0004 520 HOH d O +62260 O O . HOH YJ . ? 0.7416 0.6271 0.6317 -0.0247 -0.0186 0.0116 521 HOH d O +62261 O O . HOH YJ . ? 0.8789 0.6505 0.6891 -0.0490 -0.0194 -0.0096 522 HOH d O +62262 O O A HOH YJ . ? 0.9166 0.7934 0.7458 0.0003 -0.0547 0.0017 523 HOH d O +62263 O O B HOH YJ . ? 0.9198 0.7964 0.7486 0.0004 -0.0547 0.0018 523 HOH d O +62264 O O . HOH YJ . ? 0.8391 0.5705 0.6077 -0.0386 -0.0262 -0.0198 524 HOH d O +62265 O O . HOH YJ . ? 1.1711 1.0193 0.9633 -0.0196 -0.1093 -0.0490 525 HOH d O +62266 O O . HOH YJ . ? 1.1509 0.9148 0.9969 -0.1367 -0.0144 -0.0408 526 HOH d O +62267 O O A HOH YJ . ? 1.0038 0.8324 0.7554 0.0186 -0.0217 0.0202 527 HOH d O +62268 O O B HOH YJ . ? 1.0015 0.8298 0.7525 0.0188 -0.0217 0.0201 527 HOH d O +62269 O O . HOH YJ . ? 0.9121 0.7047 0.6077 0.0371 0.0002 0.0032 528 HOH d O +62270 O O . HOH YJ . ? 0.9563 0.6989 0.7542 -0.0817 -0.0300 -0.0321 529 HOH d O +62271 O O . HOH YJ . ? 1.3409 1.0204 1.0588 0.0265 -0.0116 0.0115 530 HOH d O +62272 O O . HOH YJ . ? 1.2096 1.0499 1.1184 -0.1479 -0.0321 -0.0571 531 HOH d O +62273 O O . HOH YJ . ? 0.8731 0.5809 0.6135 -0.0200 -0.0248 -0.0205 532 HOH d O +62274 O O . HOH YJ . ? 0.9271 0.6506 0.7136 -0.0838 -0.0246 -0.0301 533 HOH d O +62275 O O . HOH YJ . ? 0.8986 0.6634 0.7131 -0.0863 -0.0370 -0.0372 534 HOH d O +62276 O O . HOH YJ . ? 0.8505 0.7112 0.7033 0.0271 -0.0230 0.0180 535 HOH d O +62277 O O . HOH YJ . ? 0.6489 0.5211 0.5322 -0.0311 -0.0165 0.0101 536 HOH d O +62278 O O . HOH YJ . ? 0.7625 0.5920 0.6239 -0.0570 -0.0134 -0.0012 537 HOH d O +62279 O O . HOH YJ . ? 0.7296 0.5220 0.5534 -0.0517 -0.0263 -0.0144 538 HOH d O +62280 O O . HOH YJ . ? 0.8366 0.6014 0.6183 -0.0322 -0.0354 -0.0231 539 HOH d O +62281 O O . HOH YJ . ? 0.7312 0.5872 0.5993 -0.0240 -0.0137 0.0142 540 HOH d O +62282 O O . HOH YJ . ? 1.0938 0.7542 0.8387 -0.0981 -0.0234 -0.0398 541 HOH d O +62283 O O A HOH YJ . ? 1.0737 0.9092 0.8352 0.0178 -0.0438 0.0111 542 HOH d O +62284 O O B HOH YJ . ? 1.0697 0.9052 0.8311 0.0178 -0.0446 0.0105 542 HOH d O +62285 O O A HOH YJ . ? 0.6571 0.5145 0.5131 0.0096 -0.0170 0.0153 543 HOH d O +62286 O O B HOH YJ . ? 0.6559 0.5130 0.5116 0.0096 -0.0170 0.0152 543 HOH d O +62287 O O . HOH YJ . ? 0.8299 0.5789 0.5967 -0.0406 -0.0447 -0.0343 544 HOH d O +62288 O O . HOH YJ . ? 0.6484 0.5333 0.5405 -0.0277 -0.0168 0.0126 545 HOH d O +62289 O O A HOH YJ . ? 1.1214 1.0044 0.9354 0.0085 -0.1026 -0.0217 546 HOH d O +62290 O O B HOH YJ . ? 1.1221 1.0050 0.9357 0.0086 -0.1029 -0.0218 546 HOH d O +62291 O O A HOH YJ . ? 0.8071 0.5765 0.5904 0.0294 -0.0168 0.0156 547 HOH d O +62292 O O B HOH YJ . ? 0.8083 0.5777 0.5915 0.0296 -0.0168 0.0156 547 HOH d O +62293 O O . HOH YJ . ? 0.9506 0.6424 0.6759 -0.0169 -0.0254 -0.0236 548 HOH d O +62294 O O . HOH YJ . ? 0.8061 0.6431 0.6979 -0.1190 -0.0330 -0.0436 549 HOH d O +62295 O O . HOH YJ . ? 1.0366 0.9407 0.8776 -0.0027 -0.1143 -0.0346 550 HOH d O +62296 O O . HOH YJ . ? 0.7296 0.5861 0.5916 -0.0084 -0.0160 0.0178 551 HOH d O +62297 O O A HOH YJ . ? 0.8692 0.6017 0.6222 0.0390 -0.0151 0.0111 552 HOH d O +62298 O O B HOH YJ . ? 0.8678 0.5997 0.6205 0.0385 -0.0150 0.0112 552 HOH d O +62299 O O A HOH YJ . ? 0.7168 0.5792 0.5804 -0.0109 -0.0178 0.0098 553 HOH d O +62300 O O B HOH YJ . ? 0.7141 0.5765 0.5776 -0.0106 -0.0178 0.0099 553 HOH d O +62301 O O . HOH YJ . ? 0.9819 0.6588 0.7043 0.0030 -0.0064 0.0163 554 HOH d O +62302 O O . HOH YJ . ? 1.0429 0.8253 0.7163 0.0349 -0.0095 0.0168 555 HOH d O +62303 O O . HOH YJ . ? 0.8384 0.5901 0.6348 -0.0683 -0.0330 -0.0297 556 HOH d O +62304 O O . HOH YJ . ? 0.8821 0.6093 0.6639 -0.0519 -0.0065 -0.0015 557 HOH d O +62305 O O . HOH YJ . ? 1.0738 0.9972 0.9583 -0.0359 -0.1125 -0.0515 558 HOH d O +62306 O O A HOH YJ . ? 0.8127 0.6168 0.5356 0.0243 -0.0262 -0.0017 559 HOH d O +62307 O O B HOH YJ . ? 0.8099 0.6143 0.5333 0.0242 -0.0262 -0.0016 559 HOH d O +62308 O O A HOH YJ . ? 0.7699 0.6097 0.6106 0.0122 -0.0157 0.0126 560 HOH d O +62309 O O B HOH YJ . ? 0.7770 0.6175 0.6183 0.0119 -0.0157 0.0126 560 HOH d O +62310 O O . HOH YJ . ? 0.7877 0.5840 0.6095 -0.0431 -0.0269 -0.0124 561 HOH d O +62311 O O A HOH YJ . ? 0.8608 0.7111 0.6473 0.0095 -0.0041 0.0273 562 HOH d O +62312 O O B HOH YJ . ? 0.8687 0.7194 0.6560 0.0093 -0.0040 0.0275 562 HOH d O +62313 O O A HOH YJ . ? 0.9717 0.7121 0.7287 0.0424 -0.0144 0.0079 563 HOH d O +62314 O O B HOH YJ . ? 0.9785 0.7178 0.7350 0.0418 -0.0143 0.0078 563 HOH d O +62315 O O A HOH YJ . ? 0.7241 0.5704 0.5758 -0.0018 -0.0161 0.0152 564 HOH d O +62316 O O B HOH YJ . ? 0.7259 0.5719 0.5774 -0.0018 -0.0161 0.0152 564 HOH d O +62317 O O . HOH YJ . ? 0.8833 0.6664 0.7034 -0.0541 -0.0221 -0.0124 565 HOH d O +62318 O O . HOH YJ . ? 1.0204 0.8382 0.8651 -0.0477 -0.0217 -0.0062 566 HOH d O +62319 O O . HOH YJ . ? 0.7999 0.6039 0.6515 -0.0853 -0.0224 -0.0220 567 HOH d O +62320 O O . HOH YJ . ? 1.0422 0.8135 0.7185 0.0385 -0.0138 -0.0083 568 HOH d O +62321 O O . HOH YJ . ? 0.7948 0.5562 0.5804 -0.0340 -0.0301 -0.0190 569 HOH d O +62322 O O . HOH YJ . ? 0.7360 0.5574 0.5940 -0.0641 -0.0145 -0.0057 570 HOH d O +62323 O O . HOH YJ . ? 0.7816 0.5627 0.5964 -0.0376 -0.0149 -0.0007 571 HOH d O +62324 O O A HOH YJ . ? 0.8386 0.7027 0.6469 0.0046 -0.0009 0.0284 572 HOH d O +62325 O O B HOH YJ . ? 0.8350 0.6993 0.6438 0.0045 -0.0015 0.0283 572 HOH d O +62326 O O A HOH YJ . ? 0.6419 0.5230 0.5107 -0.0039 -0.0165 0.0106 573 HOH d O +62327 O O B HOH YJ . ? 0.6405 0.5212 0.5089 -0.0037 -0.0165 0.0106 573 HOH d O +62328 O O A HOH YJ . ? 0.7507 0.6233 0.5752 0.0026 -0.0158 0.0236 574 HOH d O +62329 O O B HOH YJ . ? 0.7467 0.6191 0.5709 0.0026 -0.0154 0.0236 574 HOH d O +62330 O O A HOH YJ . ? 0.6865 0.5563 0.5549 -0.0070 -0.0169 0.0118 575 HOH d O +62331 O O B HOH YJ . ? 0.6870 0.5571 0.5558 -0.0073 -0.0170 0.0118 575 HOH d O +62332 O O A HOH YJ . ? 0.8173 0.6772 0.6703 0.0225 -0.0162 0.0139 576 HOH d O +62333 O O B HOH YJ . ? 0.8200 0.6804 0.6733 0.0226 -0.0162 0.0138 576 HOH d O +62334 O O . HOH YJ . ? 1.0898 0.8539 0.8817 -0.0088 -0.0098 0.0156 577 HOH d O +62335 O O A HOH YJ . ? 1.0161 0.9072 0.8632 -0.0017 -0.0622 -0.0006 578 HOH d O +62336 O O B HOH YJ . ? 1.0167 0.9077 0.8636 -0.0016 -0.0624 -0.0007 578 HOH d O +62337 O O . HOH YJ . ? 0.7922 0.6574 0.6548 0.0083 -0.0194 0.0183 579 HOH d O +62338 O O . HOH YJ . ? 0.8247 0.5904 0.6357 -0.0760 -0.0345 -0.0317 580 HOH d O +62339 O O . HOH YJ . ? 0.6678 0.5359 0.5440 -0.0287 -0.0207 0.0061 581 HOH d O +62340 O O . HOH YJ . ? 1.0489 0.7680 0.7986 0.0181 -0.0124 0.0132 582 HOH d O +62341 O O . HOH YJ . ? 0.6693 0.5514 0.5597 -0.0366 -0.0242 0.0029 583 HOH d O +62342 O O A HOH YJ . ? 1.3098 1.1237 1.0374 0.0240 -0.0257 0.0195 584 HOH d O +62343 O O B HOH YJ . ? 1.3290 1.1429 1.0568 0.0239 -0.0255 0.0199 584 HOH d O +62344 O O A HOH YJ . ? 0.8207 0.6501 0.5671 0.0194 0.0086 0.0251 585 HOH d O +62345 O O B HOH YJ . ? 0.8195 0.6494 0.5667 0.0192 0.0085 0.0252 585 HOH d O +62346 O O . HOH YJ . ? 0.7734 0.6048 0.6144 -0.0030 -0.0153 0.0154 586 HOH d O +62347 O O . HOH YJ . ? 0.6860 0.5846 0.5720 0.0159 -0.0189 0.0166 587 HOH d O +62348 O O . HOH YJ . ? 0.9110 0.6431 0.6827 -0.0175 -0.0103 0.0053 588 HOH d O +62349 O O A HOH YJ . ? 0.8684 0.7492 0.7061 -0.0129 -0.0767 -0.0196 589 HOH d O +62350 O O B HOH YJ . ? 0.8778 0.7584 0.7146 -0.0124 -0.0772 -0.0196 589 HOH d O +62351 O O A HOH YJ . ? 1.0156 0.7956 0.6910 0.0362 -0.0160 0.0026 590 HOH d O +62352 O O B HOH YJ . ? 1.0310 0.8104 0.7059 0.0362 -0.0168 0.0022 590 HOH d O +62353 O O . HOH YJ . ? 0.7222 0.5752 0.5859 -0.0192 -0.0148 0.0139 591 HOH d O +62354 O O . HOH YJ . ? 1.1116 0.8143 0.8656 -0.0275 -0.0059 0.0055 592 HOH d O +62355 O O . HOH YJ . ? 0.9849 0.8337 0.7689 0.0084 0.0036 0.0308 593 HOH d O +62356 O O A HOH YJ . ? 1.1784 1.0492 1.0004 0.0065 -0.0385 0.0188 594 HOH d O +62357 O O B HOH YJ . ? 1.1975 1.0687 1.0205 0.0062 -0.0376 0.0193 594 HOH d O +62358 O O . HOH YJ . ? 1.3332 1.1170 1.1430 -0.0170 -0.0094 0.0150 595 HOH d O +62359 O O A HOH YJ . ? 0.8922 0.6793 0.6784 0.0647 -0.0221 0.0139 596 HOH d O +62360 O O B HOH YJ . ? 0.9122 0.7017 0.7000 0.0656 -0.0222 0.0138 596 HOH d O +62361 O O . HOH YJ . ? 1.0023 0.9086 0.8952 0.0139 -0.0224 0.0177 597 HOH d O +62362 O O . HOH YJ . ? 0.7556 0.5555 0.5612 -0.0222 -0.0311 -0.0131 598 HOH d O +62363 O O A HOH YJ . ? 0.8056 0.6279 0.5441 0.0242 -0.0037 0.0137 599 HOH d O +62364 O O B HOH YJ . ? 0.8065 0.6288 0.5448 0.0243 -0.0033 0.0138 599 HOH d O +62365 O O A HOH YJ . ? 0.7097 0.5730 0.5757 -0.0101 -0.0170 0.0120 600 HOH d O +62366 O O B HOH YJ . ? 0.7114 0.5750 0.5775 -0.0100 -0.0170 0.0120 600 HOH d O +62367 O O . HOH YJ . ? 1.0069 0.8048 0.8562 -0.0831 -0.0067 -0.0093 601 HOH d O +62368 O O . HOH YJ . ? 1.2748 1.0814 1.1410 -0.1054 -0.0085 -0.0208 602 HOH d O +62369 O O A HOH YJ . ? 0.8336 0.7200 0.6817 -0.0185 -0.0783 -0.0229 603 HOH d O +62370 O O B HOH YJ . ? 0.8494 0.7354 0.6965 -0.0178 -0.0780 -0.0225 603 HOH d O +62371 O O . HOH YJ . ? 0.9562 0.7112 0.7675 -0.0758 -0.0138 -0.0148 604 HOH d O +62372 O O . HOH YJ . ? 1.2586 0.9711 1.0156 -0.0165 -0.0083 0.0066 605 HOH d O +62373 O O . HOH YJ . ? 0.9259 0.7288 0.7707 -0.0654 -0.0108 -0.0044 606 HOH d O +62374 O O . HOH YJ . ? 1.1272 0.7927 0.8825 -0.1139 -0.0258 -0.0467 607 HOH d O +62375 O O . HOH YJ . ? 1.1288 0.9940 0.9871 0.0103 -0.0243 0.0213 608 HOH d O +62376 O O A HOH YJ . ? 0.9985 0.8686 0.8594 0.0256 -0.0212 0.0169 609 HOH d O +62377 O O B HOH YJ . ? 1.0089 0.8782 0.8691 0.0257 -0.0211 0.0168 609 HOH d O +62378 O O . HOH YJ . ? 1.3522 1.1187 1.0002 0.0407 -0.0118 0.0118 610 HOH d O +62379 O O . HOH YJ . ? 1.2049 1.0071 1.0625 -0.0942 -0.0083 -0.0154 611 HOH d O +62380 O O . HOH YJ . ? 1.1526 1.0606 1.0469 0.0139 -0.0205 0.0172 612 HOH d O +62381 O O . HOH YJ . ? 1.2714 1.1741 1.1577 0.0258 -0.0219 0.0162 613 HOH d O +62382 O O . HOH YJ . ? 1.1913 0.9858 1.0346 -0.0756 -0.0067 -0.0060 614 HOH d O +62383 O O . HOH YJ . ? 0.6764 0.5151 0.5292 -0.0193 -0.0137 0.0136 615 HOH d O +62384 O O . HOH YJ . ? 1.2004 0.9822 1.0435 -0.0966 -0.0033 -0.0136 616 HOH d O +62385 O O . HOH YJ . ? 1.1988 1.0167 1.0982 -0.1583 -0.0134 -0.0500 617 HOH d O +62386 O O . HOH ZJ . ? 1.3771 0.9760 1.0353 -0.0504 -0.0426 -0.0565 201 HOH e O +62387 O O . HOH ZJ . ? 1.0761 0.7135 0.7786 -0.0576 -0.0311 -0.0403 202 HOH e O +62388 O O . HOH ZJ . ? 1.0541 0.7047 0.7668 -0.0488 -0.0251 -0.0309 203 HOH e O +62389 O O . HOH ZJ . ? 1.0290 0.6707 0.7385 -0.0590 -0.0272 -0.0359 204 HOH e O +62390 O O . HOH ZJ . ? 1.5836 1.1102 1.2248 -0.0753 -0.0062 -0.0293 205 HOH e O +62391 O O . HOH ZJ . ? 0.9569 0.6653 0.7281 -0.0864 -0.0341 -0.0407 206 HOH e O +62392 O O . HOH ZJ . ? 0.8158 0.5697 0.6323 -0.0873 -0.0101 -0.0163 207 HOH e O +62393 O O . HOH ZJ . ? 1.2952 0.8902 0.9683 -0.0641 -0.0317 -0.0476 208 HOH e O +62394 O O . HOH AK . ? 1.6016 1.1922 1.2556 -0.0202 -0.0229 -0.0340 201 HOH f O +62395 O O . HOH AK . ? 1.1085 0.7443 0.7904 -0.0263 -0.0313 -0.0384 202 HOH f O +62396 O O . HOH AK . ? 1.4262 1.0084 1.0885 -0.0566 -0.0279 -0.0441 203 HOH f O +62397 O O . HOH BK . ? 0.8608 0.7512 0.7915 -0.1195 -0.0525 -0.0562 201 HOH h O +62398 O O . HOH BK . ? 0.9789 0.8000 0.8491 -0.0896 -0.0101 -0.0140 202 HOH h O +62399 O O . HOH BK . ? 0.9868 0.8447 0.8968 -0.1113 -0.0095 -0.0244 203 HOH h O +62400 O O . HOH BK . ? 0.8716 0.7594 0.8229 -0.1467 -0.0094 -0.0440 204 HOH h O +62401 O O . HOH BK . ? 1.1194 1.1050 1.0619 0.0451 -0.1098 -0.0161 205 HOH h O +62402 O O . HOH BK . ? 0.9065 0.9705 0.9337 0.0304 -0.1069 -0.0372 206 HOH h O +62403 O O . HOH BK . ? 0.9805 0.8859 0.9497 -0.1518 0.0086 -0.0385 207 HOH h O +62404 O O . HOH BK . ? 0.9589 0.8205 0.8718 -0.1125 -0.0149 -0.0284 208 HOH h O +62405 O O . HOH BK . ? 0.8493 0.9212 0.8881 -0.0498 -0.1305 -0.0789 209 HOH h O +62406 O O . HOH BK . ? 0.7903 0.7179 0.7587 -0.1165 -0.0248 -0.0391 210 HOH h O +62407 O O . HOH BK . ? 0.8503 0.9229 0.8993 0.0188 -0.0820 -0.0342 211 HOH h O +62408 O O . HOH BK . ? 1.0755 1.1378 1.0786 -0.0025 -0.1532 -0.0687 212 HOH h O +62409 O O . HOH BK . ? 0.9151 0.7637 0.8125 -0.1043 -0.0201 -0.0275 213 HOH h O +62410 O O . HOH BK . ? 0.7986 0.6769 0.7359 -0.1349 -0.0142 -0.0401 214 HOH h O +62411 O O . HOH BK . ? 1.0848 0.9485 1.0112 -0.1357 -0.0077 -0.0361 215 HOH h O +62412 O O . HOH BK . ? 0.8953 0.7706 0.8224 -0.1321 -0.0433 -0.0566 216 HOH h O +62413 O O . HOH BK . ? 1.2705 1.1144 1.1971 -0.1696 -0.0067 -0.0523 217 HOH h O +62414 O O . HOH CK . ? 1.1142 1.0015 0.9114 0.0334 0.0602 0.0183 201 HOH i O +62415 O O . HOH CK . ? 0.8678 0.7638 0.6805 0.0192 0.0609 0.0250 202 HOH i O +62416 O O . HOH DK . ? 1.1163 0.7371 0.7918 -0.0134 -0.0208 -0.0271 201 HOH j O +62417 O O . HOH EK . ? 1.2391 0.8293 0.8359 0.0689 -0.0094 -0.0409 201 HOH k O +62418 O O . HOH EK . ? 1.1101 0.8289 0.7273 0.0466 -0.0259 -0.0272 202 HOH k O +62419 O O . HOH EK . ? 1.2636 0.8482 0.8470 0.0997 0.0007 -0.0408 203 HOH k O +62420 O O . HOH FK . ? 0.6830 0.5916 0.5840 -0.0153 -0.0186 0.0152 901 HOH l O +62421 O O . HOH FK . ? 0.7399 0.6272 0.5913 -0.0035 -0.0180 0.0253 902 HOH l O +62422 O O . HOH FK . ? 1.1725 1.1091 1.0722 0.0131 -0.0803 -0.0013 903 HOH l O +62423 O O . HOH FK . ? 0.6185 0.5247 0.5220 -0.0165 -0.0179 0.0164 904 HOH l O +62424 O O . HOH FK . ? 0.7051 0.6049 0.6077 -0.0231 -0.0166 0.0164 905 HOH l O +62425 O O . HOH FK . ? 0.9961 0.9028 0.9065 -0.0289 -0.0186 0.0132 906 HOH l O +62426 O O A HOH FK . ? 1.2049 1.0693 1.0171 0.0075 -0.0332 0.0206 907 HOH l O +62427 O O B HOH FK . ? 1.2083 1.0725 1.0201 0.0077 -0.0336 0.0205 907 HOH l O +62428 O O A HOH FK . ? 0.8333 0.7172 0.6768 -0.0016 -0.0157 0.0238 908 HOH l O +62429 O O B HOH FK . ? 0.8342 0.7179 0.6775 -0.0016 -0.0156 0.0238 908 HOH l O +62430 O O . HOH GK . ? 1.2975 1.1679 1.1358 0.0064 -0.0351 0.0297 201 HOH m O +62431 O O . HOH GK . ? 1.0191 0.9243 0.9336 -0.0395 -0.0092 0.0137 202 HOH m O +62432 O O . HOH GK . ? 0.9388 0.8396 0.8470 -0.0331 -0.0141 0.0143 203 HOH m O +62433 O O . HOH GK . ? 0.7005 0.5988 0.5963 -0.0110 -0.0184 0.0186 204 HOH m O +62434 O O . HOH GK . ? 1.1758 1.0590 1.0587 -0.0133 -0.0175 0.0201 205 HOH m O +62435 O O . HOH GK . ? 1.3507 1.2408 1.2065 0.0092 -0.0511 0.0195 206 HOH m O +62436 O O . HOH GK . ? 1.1497 1.0312 1.0208 -0.0118 -0.0154 0.0351 207 HOH m O +62437 O O . HOH GK . ? 0.7498 0.6793 0.6795 -0.0256 -0.0191 0.0174 208 HOH m O +62438 O O . HOH GK . ? 1.0906 0.9718 0.9402 -0.0025 -0.0223 0.0292 209 HOH m O +62439 O O . HOH GK . ? 1.1808 1.0947 1.0991 -0.0305 -0.0156 0.0155 210 HOH m O +62440 O O . HOH GK . ? 1.2347 1.1301 1.1259 -0.0085 -0.0202 0.0199 211 HOH m O +62441 O O . HOH GK . ? 0.8766 0.7751 0.7709 -0.0077 -0.0197 0.0192 212 HOH m O +62442 O O . HOH GK . ? 1.1260 1.0356 1.0464 -0.0437 -0.0070 0.0120 213 HOH m O +62443 O O . HOH HK . ? 0.9449 1.0191 0.9293 0.1529 -0.0826 -0.0197 401 HOH o O +62444 O O . HOH HK . ? 0.7581 0.6927 0.6467 0.0966 -0.0501 0.0067 402 HOH o O +62445 O O . HOH HK . ? 0.9030 0.8113 0.7658 0.1040 0.0008 -0.0013 403 HOH o O +62446 O O . HOH HK . ? 1.0294 1.0652 0.9978 0.1166 -0.0288 -0.0087 404 HOH o O +62447 O O . HOH HK . ? 0.9821 1.1038 0.9980 0.1896 -0.0850 -0.0314 405 HOH o O +62448 O O . HOH HK . ? 1.1874 0.9897 1.0097 -0.0222 -0.0061 0.0207 406 HOH o O +62449 O O . HOH HK . ? 0.7588 0.6633 0.6302 0.0835 -0.0226 0.0074 407 HOH o O +62450 O O . HOH HK . ? 1.2577 1.2232 1.1696 0.0774 -0.0669 0.0046 408 HOH o O +62451 O O . HOH HK . ? 1.1042 1.0624 1.0357 0.0205 -0.0321 0.0136 409 HOH o O +62452 O O . HOH HK . ? 1.0318 0.9820 0.9575 0.0202 -0.0194 0.0147 410 HOH o O +62453 O O . HOH HK . ? 0.9202 0.8632 0.8267 0.0473 -0.0477 0.0117 411 HOH o O +62454 O O . HOH HK . ? 0.7525 0.7486 0.7071 0.0448 -0.0145 0.0071 412 HOH o O +62455 O O . HOH HK . ? 1.1003 0.9826 0.9698 0.0236 -0.0266 0.0188 413 HOH o O +62456 O O . HOH HK . ? 0.7279 0.6674 0.6307 0.0695 -0.0241 0.0080 414 HOH o O +62457 O O . HOH HK . ? 0.9766 0.9103 0.8880 0.0238 -0.0250 0.0154 415 HOH o O +62458 O O . HOH HK . ? 0.8927 0.8583 0.8313 0.0193 -0.0286 0.0132 416 HOH o O +62459 O O . HOH HK . ? 0.7012 0.5396 0.5572 -0.0378 -0.0017 0.0187 417 HOH o O +62460 O O . HOH HK . ? 0.8792 0.7274 0.7208 0.0262 -0.0251 0.0201 418 HOH o O +62461 O O . HOH HK . ? 1.0497 0.8150 0.8372 0.0015 -0.0115 0.0198 419 HOH o O +62462 O O . HOH HK . ? 0.8310 0.6387 0.6389 0.0371 -0.0235 0.0198 420 HOH o O +62463 O O . HOH HK . ? 0.6652 0.5801 0.5563 0.0416 -0.0232 0.0138 421 HOH o O +62464 O O . HOH HK . ? 1.0110 1.0532 0.9811 0.1146 -0.0652 -0.0096 422 HOH o O +62465 O O . HOH HK . ? 1.0092 1.0229 0.9765 0.0530 -0.0344 0.0032 423 HOH o O +62466 O O . HOH HK . ? 0.8210 0.7135 0.6765 0.0812 -0.0520 0.0136 424 HOH o O +62467 O O . HOH HK . ? 0.7655 0.5536 0.5528 0.0595 -0.0252 0.0175 425 HOH o O +62468 O O . HOH HK . ? 0.9411 0.8548 0.8286 0.0442 -0.0351 0.0151 426 HOH o O +62469 O O . HOH HK . ? 0.9134 0.7747 0.7481 0.0717 -0.0438 0.0172 427 HOH o O +62470 O O . HOH HK . ? 0.9115 0.9034 0.8537 0.0802 -0.0264 0.0020 428 HOH o O +62471 O O . HOH HK . ? 0.6940 0.6720 0.6310 0.0543 -0.0148 0.0071 429 HOH o O +62472 O O . HOH HK . ? 1.0343 1.0430 0.9864 0.0896 -0.0137 -0.0018 430 HOH o O +62473 O O . HOH HK . ? 0.9009 0.7983 0.7785 0.0371 -0.0297 0.0166 431 HOH o O +62474 O O A HOH HK . ? 0.8028 0.7479 0.7062 0.0610 -0.0003 0.0064 432 HOH o O +62475 O O B HOH HK . ? 0.8048 0.7501 0.7085 0.0608 -0.0003 0.0064 432 HOH o O +62476 O O . HOH HK . ? 0.8383 0.5837 0.5963 0.0492 -0.0207 0.0186 433 HOH o O +62477 O O . HOH HK . ? 0.8659 0.8721 0.8274 0.0518 -0.0218 0.0049 434 HOH o O +62478 O O . HOH HK . ? 1.0203 0.8310 0.8392 -0.0023 -0.0141 0.0238 435 HOH o O +62479 O O . HOH HK . ? 0.7515 0.6697 0.6358 0.0756 -0.0239 0.0083 436 HOH o O +62480 O O . HOH HK . ? 0.9806 0.8550 0.8298 0.0605 -0.0406 0.0171 437 HOH o O +62481 O O . HOH HK . ? 0.6830 0.5211 0.5323 -0.0117 -0.0146 0.0149 438 HOH o O +62482 O O . HOH HK . ? 0.9134 0.7337 0.7069 0.1346 -0.0346 0.0064 439 HOH o O +62483 O O . HOH HK . ? 0.8427 0.6716 0.6650 0.0270 -0.0274 0.0232 440 HOH o O +62484 O O . HOH HK . ? 0.8822 0.7194 0.7040 0.0487 -0.0355 0.0214 441 HOH o O +62485 O O . HOH HK . ? 0.7124 0.6701 0.6412 0.0268 -0.0151 0.0132 442 HOH o O +62486 O O . HOH HK . ? 1.2838 1.0789 1.1051 -0.0284 -0.0052 0.0172 443 HOH o O +62487 O O . HOH HK . ? 0.7151 0.6290 0.6013 0.0563 -0.0251 0.0119 444 HOH o O +62488 O O . HOH HK . ? 0.9519 0.7934 0.7779 0.0536 -0.0346 0.0197 445 HOH o O +62489 O O . HOH HK . ? 0.8336 0.6889 0.6737 0.0495 -0.0311 0.0181 446 HOH o O +62490 O O . HOH HK . ? 0.7403 0.5662 0.5766 -0.0034 -0.0149 0.0182 447 HOH o O +62491 O O . HOH HK . ? 0.8420 0.5795 0.5972 0.0380 -0.0181 0.0193 448 HOH o O +62492 O O . HOH HK . ? 0.7216 0.6181 0.5881 0.0685 -0.0398 0.0137 449 HOH o O +62493 O O . HOH HK . ? 0.8521 0.6703 0.6922 -0.0279 -0.0089 0.0148 450 HOH o O +62494 O O . HOH HK . ? 0.9323 0.7192 0.7141 0.0489 -0.0309 0.0246 451 HOH o O +62495 O O . HOH HK . ? 0.7819 0.6671 0.6351 0.0965 -0.0287 0.0077 452 HOH o O +62496 O O . HOH HK . ? 0.7644 0.5847 0.5966 -0.0111 -0.0119 0.0212 453 HOH o O +62497 O O A HOH HK . ? 0.8309 0.6332 0.6368 0.0364 -0.0191 0.0155 454 HOH o O +62498 O O B HOH HK . ? 0.8179 0.6226 0.6253 0.0372 -0.0192 0.0155 454 HOH o O +62499 O O . HOH HK . ? 0.8461 0.8417 0.8054 0.0306 -0.0328 0.0082 455 HOH o O +62500 O O . HOH HK . ? 0.7875 0.6633 0.6375 0.0674 -0.0390 0.0156 456 HOH o O +62501 O O . HOH HK . ? 1.0116 0.8170 0.8394 -0.0276 -0.0052 0.0188 457 HOH o O +62502 O O . HOH HK . ? 1.1333 1.0774 1.0161 0.1497 -0.0021 -0.0104 458 HOH o O +62503 O O . HOH HK . ? 0.9114 0.7394 0.7374 0.0300 -0.0228 0.0193 459 HOH o O +62504 O O . HOH HK . ? 0.9155 0.7892 0.7744 0.0392 -0.0268 0.0170 460 HOH o O +62505 O O . HOH HK . ? 0.7199 0.5608 0.5699 -0.0091 -0.0147 0.0179 461 HOH o O +62506 O O . HOH HK . ? 1.2272 1.0916 1.0539 0.0867 -0.0581 0.0165 462 HOH o O +62507 O O . HOH HK . ? 0.9054 0.7455 0.7399 0.0246 -0.0255 0.0215 463 HOH o O +62508 O O . HOH HK . ? 0.7538 0.5870 0.6045 -0.0245 -0.0119 0.0138 464 HOH o O +62509 O O . HOH HK . ? 1.0615 0.8947 0.8650 0.1211 -0.0454 0.0115 465 HOH o O +62510 O O . HOH HK . ? 0.8132 0.7746 0.7211 0.1189 -0.0258 -0.0020 466 HOH o O +62511 O O . HOH HK . ? 0.9612 0.8459 0.8315 0.0318 -0.0225 0.0161 467 HOH o O +62512 O O . HOH HK . ? 1.1360 1.1532 1.0969 0.0867 -0.0257 -0.0018 468 HOH o O +62513 O O A HOH HK . ? 0.7112 0.6439 0.6093 0.0615 -0.0137 0.0084 469 HOH o O +62514 O O B HOH HK . ? 0.7129 0.6453 0.6108 0.0616 -0.0137 0.0084 469 HOH o O +62515 O O . HOH HK . ? 1.0715 1.0651 0.9995 0.1071 0.0132 -0.0062 470 HOH o O +62516 O O . HOH HK . ? 0.9840 0.9678 0.9366 0.0219 -0.0201 0.0117 471 HOH o O +62517 O O . HOH HK . ? 0.9068 0.6979 0.7049 0.0201 -0.0195 0.0230 472 HOH o O +62518 O O . HOH HK . ? 0.8497 0.8551 0.8090 0.0577 -0.0316 0.0038 473 HOH o O +62519 O O . HOH HK . ? 1.1079 0.9303 0.9453 -0.0192 -0.0093 0.0201 474 HOH o O +62520 O O . HOH HK . ? 1.2413 1.2480 1.1965 0.0754 -0.0211 0.0011 475 HOH o O +62521 O O . HOH HK . ? 1.3541 1.1627 1.1786 -0.0239 -0.0042 0.0230 476 HOH o O +62522 O O . HOH HK . ? 1.4995 1.3202 1.3288 -0.0243 -0.0032 0.0247 477 HOH o O +62523 O O . HOH HK . ? 1.1934 1.0144 0.9929 0.0685 -0.0443 0.0221 478 HOH o O +62524 O O . HOH HK . ? 1.0823 1.0384 1.0160 0.0034 -0.0367 0.0138 479 HOH o O +62525 O O . HOH HK . ? 1.1059 0.8685 0.8945 -0.0049 -0.0100 0.0178 480 HOH o O +62526 O O . HOH HK . ? 0.8391 0.7047 0.6838 0.0571 -0.0362 0.0175 481 HOH o O +62527 O O . HOH HK . ? 1.0262 0.9753 0.9464 0.0280 -0.0374 0.0134 482 HOH o O +62528 O O . HOH HK . ? 0.8465 0.7383 0.7201 0.0387 -0.0255 0.0158 483 HOH o O +62529 O O . HOH HK . ? 1.2686 1.1188 1.1157 0.0061 -0.0217 0.0224 484 HOH o O +62530 O O . HOH HK . ? 0.9847 0.9017 0.8784 0.0349 -0.0312 0.0157 485 HOH o O +62531 O O . HOH HK . ? 0.9801 0.8526 0.8405 0.0324 -0.0237 0.0170 486 HOH o O +62532 O O . HOH HK . ? 1.5562 1.4298 1.4325 -0.0166 -0.0151 0.0201 487 HOH o O +62533 O O . HOH HK . ? 1.2126 1.2139 1.1581 0.0756 0.0039 0.0005 488 HOH o O +62534 O O . HOH HK . ? 1.0589 0.8691 0.8885 -0.0207 -0.0085 0.0187 489 HOH o O +62535 O O . HOH HK . ? 0.7151 0.6338 0.6141 0.0253 -0.0210 0.0156 490 HOH o O +62536 O O A HOH HK . ? 0.8761 0.6589 0.6671 0.0368 -0.0186 0.0159 491 HOH o O +62537 O O B HOH HK . ? 0.9332 0.7182 0.7265 0.0346 -0.0184 0.0159 491 HOH o O +62538 O O . HOH HK . ? 1.3804 1.3007 1.2796 0.0269 -0.0283 0.0162 492 HOH o O +62539 O O . HOH HK . ? 1.2584 1.3904 1.2832 0.2033 -0.0647 -0.0344 493 HOH o O +62540 O O . HOH HK . ? 1.1944 0.9951 1.0092 -0.0086 -0.0107 0.0228 494 HOH o O +62541 O O . HOH HK . ? 1.1234 1.1777 1.1118 0.0945 -0.0456 -0.0080 495 HOH o O +62542 O O . HOH HK . ? 1.1937 1.0788 1.0669 0.0174 -0.0266 0.0195 496 HOH o O +62543 O O . HOH HK . ? 1.3545 1.2669 1.2233 0.0808 -0.0591 0.0116 497 HOH o O +62544 O O . HOH HK . ? 1.0946 1.1112 1.0704 0.0340 -0.0262 0.0057 498 HOH o O +62545 O O . HOH HK . ? 0.7147 0.6314 0.6095 0.0338 -0.0233 0.0148 499 HOH o O +62546 O O . HOH IK . ? 0.9176 0.8487 0.8390 -0.0102 -0.0175 0.0190 201 HOH t O +62547 O O A HOH IK . ? 1.2361 1.0914 1.0370 0.0083 -0.0235 0.0269 202 HOH t O +62548 O O B HOH IK . ? 1.2395 1.0944 1.0400 0.0084 -0.0233 0.0271 202 HOH t O +62549 O O . HOH IK . ? 0.7062 0.5975 0.5619 -0.0045 -0.0141 0.0246 203 HOH t O +62550 O O . HOH IK . ? 0.8209 0.7440 0.7347 -0.0098 -0.0165 0.0185 204 HOH t O +62551 O O . HOH IK . ? 0.8833 0.7656 0.7317 -0.0003 -0.0282 0.0263 205 HOH t O +62552 O O . HOH IK . ? 1.0615 0.9412 0.9024 -0.0055 -0.0016 0.0329 206 HOH t O +62553 O O A HOH IK . ? 1.0704 0.9472 0.9035 0.0005 -0.0173 0.0249 207 HOH t O +62554 O O B HOH IK . ? 1.0841 0.9603 0.9162 0.0008 -0.0175 0.0249 207 HOH t O +62555 O O A HOH IK . ? 0.8574 0.7380 0.6940 0.0000 -0.0115 0.0242 208 HOH t O +62556 O O B HOH IK . ? 0.8619 0.7423 0.6982 0.0000 -0.0114 0.0243 208 HOH t O +62557 O O . HOH JK . ? 1.1636 0.7326 0.7667 0.1311 -0.0273 0.0176 201 HOH u O +62558 O O . HOH JK . ? 1.4868 1.2439 1.2602 0.0111 -0.0138 0.0251 202 HOH u O +62559 O O . HOH JK . ? 0.8836 0.5811 0.6160 0.0221 -0.0120 0.0074 203 HOH u O +62560 O O . HOH JK . ? 1.1158 0.8178 0.8324 0.0849 -0.0222 0.0138 204 HOH u O +62561 O O . HOH JK . ? 1.3477 0.9309 0.9311 0.1434 -0.0522 0.0375 205 HOH u O +62562 O O . HOH JK . ? 1.0822 0.6478 0.6932 0.0962 -0.0191 0.0178 206 HOH u O +62563 O O . HOH JK . ? 1.4532 1.0448 1.0572 0.1823 -0.0435 0.0170 207 HOH u O +62564 O O . HOH JK . ? 1.4986 1.0676 1.1169 0.0578 -0.0125 0.0280 208 HOH u O +62565 O O . HOH JK . ? 0.8772 0.6341 0.6384 0.0622 -0.0262 0.0202 209 HOH u O +62566 O O . HOH JK . ? 1.1053 0.8139 0.8118 0.1068 -0.0400 0.0237 210 HOH u O +62567 O O . HOH JK . ? 0.8152 0.6373 0.6186 0.0898 -0.0369 0.0155 211 HOH u O +62568 O O . HOH JK . ? 1.3019 0.7643 0.8218 0.0978 -0.0176 0.0368 212 HOH u O +62569 O O . HOH JK . ? 1.3401 0.8982 0.9081 0.1864 -0.0533 0.0271 213 HOH u O +62570 O O . HOH JK . ? 0.8714 0.6214 0.6172 0.0976 -0.0343 0.0182 214 HOH u O +62571 O O A HOH JK . ? 1.1864 0.9040 0.9272 0.0407 -0.0138 0.0071 215 HOH u O +62572 O O B HOH JK . ? 1.2007 0.9191 0.9417 0.0421 -0.0139 0.0071 215 HOH u O +62573 O O . HOH JK . ? 1.1738 0.9314 0.9431 0.0159 -0.0159 0.0271 216 HOH u O +62574 O O . HOH JK . ? 1.2854 0.7323 0.7727 0.1818 -0.0413 0.0313 217 HOH u O +62575 O O . HOH JK . ? 1.0305 0.7588 0.7714 0.0692 -0.0198 0.0131 218 HOH u O +62576 O O . HOH JK . ? 1.0239 0.6679 0.6978 0.0583 -0.0187 0.0266 219 HOH u O +62577 O O . HOH JK . ? 1.1725 0.8779 0.8989 0.0437 -0.0187 0.0235 220 HOH u O +62578 O O . HOH JK . ? 1.0235 0.6878 0.7069 0.1067 -0.0213 0.0097 221 HOH u O +62579 O O . HOH JK . ? 0.8035 0.5829 0.5831 0.0386 -0.0263 0.0253 222 HOH u O +62580 O O . HOH JK . ? 1.4292 0.9140 0.9758 0.0996 -0.0168 0.0248 223 HOH u O +62581 O O . HOH JK . ? 0.8125 0.5975 0.5938 0.0664 -0.0293 0.0192 224 HOH u O +62582 O O . HOH JK . ? 1.4823 1.0033 1.0369 0.1763 -0.0354 0.0174 225 HOH u O +62583 O O . HOH JK . ? 1.5726 1.0621 1.0789 0.2197 -0.0585 0.0288 226 HOH u O +62584 O O . HOH JK . ? 1.3198 0.8861 0.9429 0.0612 -0.0115 0.0149 227 HOH u O +62585 O O . HOH JK . ? 0.8806 0.5978 0.6077 0.0743 -0.0270 0.0213 228 HOH u O +62586 O O . HOH JK . ? 1.3617 0.7841 0.8454 0.1324 -0.0241 0.0338 229 HOH u O +62587 O O . HOH JK . ? 0.9415 0.6318 0.6519 0.0620 -0.0219 0.0224 230 HOH u O +62588 O O . HOH JK . ? 1.0473 0.8257 0.8183 0.0604 -0.0344 0.0247 231 HOH u O +62589 O O . HOH JK . ? 1.0616 0.8450 0.8314 0.1024 -0.0381 0.0166 232 HOH u O +62590 O O . HOH JK . ? 1.2032 0.9602 0.9510 0.0755 -0.0392 0.0260 233 HOH u O +62591 O O . HOH JK . ? 1.1205 0.8330 0.8307 0.1124 -0.0395 0.0214 234 HOH u O +62592 O O . HOH JK . ? 1.1896 0.8900 0.8818 0.1019 -0.0454 0.0295 235 HOH u O +62593 O O . HOH JK . ? 1.2274 0.8541 0.8927 0.0254 -0.0067 0.0324 236 HOH u O +62594 O O . HOH JK . ? 1.3736 0.9384 0.9593 0.1029 -0.0322 0.0389 237 HOH u O +62595 O O . HOH JK . ? 1.1801 0.7956 0.8205 0.0553 -0.0180 0.0370 238 HOH u O +62596 O O . HOH JK . ? 0.9541 0.7311 0.7322 0.0644 -0.0237 0.0159 239 HOH u O +62597 O O . HOH JK . ? 1.1583 0.7911 0.7858 0.1462 -0.0542 0.0308 240 HOH u O +62598 O O . HOH JK . ? 1.4640 1.2027 1.2164 0.0197 -0.0156 0.0285 241 HOH u O +62599 O O . HOH JK . ? 0.9904 0.7082 0.7146 0.0529 -0.0267 0.0295 242 HOH u O +62600 O O . HOH JK . ? 0.8995 0.6177 0.6316 0.0627 -0.0233 0.0206 243 HOH u O +62601 O O . HOH JK . ? 1.0853 0.7950 0.8107 0.0734 -0.0213 0.0151 244 HOH u O +62602 O O . HOH JK . ? 1.1801 0.9643 0.9596 0.0382 -0.0289 0.0268 245 HOH u O +62603 O O . HOH JK . ? 1.0235 0.7194 0.7417 0.0624 -0.0187 0.0155 246 HOH u O +62604 O O . HOH JK . ? 1.4104 0.8848 0.9224 0.1976 -0.0403 0.0206 247 HOH u O +62605 O O . HOH JK . ? 1.4083 1.0308 1.0690 0.0545 -0.0154 0.0252 248 HOH u O +62606 O O . HOH JK . ? 1.3193 1.0113 1.0214 0.0526 -0.0247 0.0321 249 HOH u O +62607 O O . HOH JK . ? 0.9626 0.7008 0.7120 0.0554 -0.0229 0.0204 250 HOH u O +62608 O O . HOH JK . ? 1.3987 0.8406 0.9032 0.0813 -0.0106 0.0419 251 HOH u O +62609 O O . HOH KK . ? 1.1497 0.7035 0.7364 0.1489 -0.0306 0.0175 301 HOH v O +62610 O O . HOH KK . ? 1.2466 0.7438 0.8012 0.1311 -0.0149 0.0012 302 HOH v O +62611 O O . HOH KK . ? 1.2274 0.7349 0.8231 0.0180 -0.0036 -0.0012 303 HOH v O +62612 O O . HOH KK . ? 1.5468 1.0137 1.1076 0.0335 -0.0016 0.0070 304 HOH v O +62613 O O . HOH KK . ? 1.0009 0.6854 0.6973 0.0887 -0.0082 -0.0065 305 HOH v O +62614 O O . HOH KK . ? 1.1268 0.6538 0.7096 0.0988 -0.0166 0.0154 306 HOH v O +62615 O O . HOH KK . ? 1.1703 0.8582 0.9066 -0.0176 -0.0134 -0.0064 307 HOH v O +62616 O O . HOH KK . ? 1.4292 0.8968 0.9585 0.1451 -0.0147 -0.0015 308 HOH v O +62617 O O A HOH KK . ? 1.3952 1.0964 1.1220 0.0392 -0.0125 0.0006 309 HOH v O +62618 O O B HOH KK . ? 1.3991 1.1018 1.1268 0.0397 -0.0125 0.0006 309 HOH v O +62619 O O . HOH KK . ? 1.2772 0.8609 0.9273 0.0014 -0.0132 -0.0184 310 HOH v O +62620 O O . HOH KK . ? 1.2192 0.7843 0.8181 0.1497 -0.0160 -0.0027 311 HOH v O +62621 O O . HOH KK . ? 1.3351 1.0183 1.0136 0.1723 -0.0110 -0.0094 312 HOH v O +62622 O O . HOH KK . ? 1.4646 1.0007 1.0951 -0.0464 -0.0178 -0.0364 313 HOH v O +62623 O O . HOH KK . ? 1.3538 0.8743 0.9160 0.1338 -0.0052 -0.0214 314 HOH v O +62624 O O A HOH KK . ? 1.0536 0.8001 0.8148 0.0387 -0.0134 0.0050 315 HOH v O +62625 O O B HOH KK . ? 1.0555 0.8023 0.8171 0.0383 -0.0134 0.0050 315 HOH v O +62626 O O . HOH KK . ? 0.9549 0.6184 0.6652 0.0103 -0.0109 0.0001 316 HOH v O +62627 O O . HOH KK . ? 1.0393 0.6279 0.6676 0.1050 -0.0160 0.0052 317 HOH v O +62628 O O . HOH KK . ? 1.0075 0.6199 0.6514 0.1108 -0.0198 0.0093 318 HOH v O +62629 O O . HOH KK . ? 1.0616 0.7435 0.7527 0.1167 -0.0115 -0.0032 319 HOH v O +62630 O O . HOH KK . ? 1.0848 0.7395 0.7755 0.0549 -0.0131 0.0063 320 HOH v O +62631 O O . HOH KK . ? 1.0460 0.6780 0.7225 0.0322 -0.0117 -0.0082 321 HOH v O +62632 O O . HOH KK . ? 1.0511 0.5917 0.6651 0.0346 -0.0071 -0.0003 322 HOH v O +62633 O O . HOH KK . ? 1.5564 0.9943 1.1053 -0.0119 -0.0107 -0.0340 323 HOH v O +62634 O O . HOH KK . ? 0.9888 0.6657 0.6863 0.0874 -0.0210 0.0132 324 HOH v O +62635 O O . HOH KK . ? 1.1040 0.6355 0.6891 0.1100 -0.0155 0.0067 325 HOH v O +62636 O O . HOH KK . ? 1.1275 0.8100 0.8360 0.0634 -0.0172 0.0133 326 HOH v O +62637 O O . HOH KK . ? 0.9665 0.6382 0.6751 0.0306 -0.0120 -0.0006 327 HOH v O +62638 O O . HOH KK . ? 1.1895 0.7966 0.8507 0.0375 -0.0095 0.0109 328 HOH v O +62639 O O . HOH KK . ? 1.1122 0.7211 0.7777 0.0153 -0.0118 -0.0111 329 HOH v O +62640 O O . HOH KK . ? 1.1818 0.8390 0.8575 0.1118 -0.0141 -0.0002 330 HOH v O +62641 O O . HOH KK . ? 1.0943 0.6516 0.7257 0.0190 -0.0053 0.0034 331 HOH v O +62642 O O . HOH KK . ? 1.0369 0.6786 0.7016 0.1145 -0.0211 0.0087 332 HOH v O +62643 O O . HOH KK . ? 1.1129 0.7576 0.7830 0.0717 -0.0090 -0.0110 333 HOH v O +62644 O O . HOH KK . ? 1.3043 0.9703 1.0142 0.0209 -0.0103 0.0092 334 HOH v O +62645 O O . HOH KK . ? 1.1225 0.7762 0.7949 0.0881 -0.0077 -0.0102 335 HOH v O +62646 O O . HOH KK . ? 1.1029 0.6637 0.7125 0.0992 -0.0151 0.0065 336 HOH v O +62647 O O . HOH KK . ? 1.0995 0.7990 0.8091 0.1047 -0.0167 0.0039 337 HOH v O +62648 O O . HOH KK . ? 0.9988 0.6832 0.6959 0.1045 -0.0132 -0.0001 338 HOH v O +62649 O O . HOH KK . ? 1.2466 0.8996 0.9169 0.1252 -0.0189 0.0036 339 HOH v O +62650 O O . HOH KK . ? 1.3114 1.0007 0.9983 0.1372 -0.0043 -0.0109 340 HOH v O +62651 O O . HOH KK . ? 0.9331 0.5908 0.6345 0.0239 -0.0113 0.0004 341 HOH v O +62652 O O . HOH KK . ? 1.1882 0.7945 0.8470 0.0287 -0.0115 -0.0108 342 HOH v O +62653 O O . HOH KK . ? 1.1457 0.7816 0.7973 0.1139 -0.0053 -0.0135 343 HOH v O +62654 O O . HOH KK . ? 1.1512 0.8191 0.8369 0.1083 -0.0181 0.0054 344 HOH v O +62655 O O . HOH KK . ? 1.3355 0.9412 0.9763 0.0541 -0.0108 -0.0211 345 HOH v O +62656 O O . HOH KK . ? 1.6984 1.1775 1.2965 -0.0478 0.0009 -0.0172 346 HOH v O +62657 O O . HOH KK . ? 1.6414 1.0654 1.1489 0.1079 -0.0088 -0.0067 347 HOH v O +62658 O O . HOH KK . ? 1.4988 0.9569 1.0633 0.0053 0.0001 -0.0043 348 HOH v O +62659 O O . HOH KK . ? 1.2160 0.8469 0.8690 0.1018 -0.0075 -0.0110 349 HOH v O +62660 O O . HOH KK . ? 1.3255 0.9643 1.0157 0.0135 -0.0111 -0.0042 350 HOH v O +62661 O O . HOH KK . ? 1.3628 0.8890 0.9323 0.1388 -0.0262 0.0176 351 HOH v O +62662 O O . HOH KK . ? 1.3538 0.8477 0.9007 0.1507 -0.0183 0.0030 352 HOH v O +62663 O O . HOH KK . ? 1.6820 1.1044 1.2208 0.0053 0.0027 -0.0033 353 HOH v O +62664 O O . HOH KK . ? 1.4222 1.0487 1.1031 0.0038 -0.0136 -0.0135 354 HOH v O +62665 O O . HOH KK . ? 1.2449 0.8776 0.9285 0.0157 -0.0118 -0.0075 355 HOH v O +62666 O O . HOH KK . ? 1.2755 0.9334 0.9491 0.1262 -0.0233 0.0081 356 HOH v O +62667 O O . HOH LK . ? 1.4584 1.2869 1.3573 -0.1639 -0.0598 -0.0833 201 HOH x O +62668 O O . HOH LK . ? 0.9912 0.9369 0.8980 -0.0663 -0.1532 -0.0939 202 HOH x O +62669 O O . HOH LK . ? 0.9408 0.8066 0.8662 -0.1405 -0.0354 -0.0556 203 HOH x O +62670 O O . HOH LK . ? 0.9546 0.7979 0.8766 -0.1631 -0.0145 -0.0536 204 HOH x O +62671 O O . HOH LK . ? 1.1361 1.0463 0.9908 -0.0452 -0.1569 -0.0865 205 HOH x O +62672 O O . HOH LK . ? 0.9600 0.8593 0.9023 -0.1287 -0.0547 -0.0624 206 HOH x O +62673 O O . HOH MK . ? 1.3651 1.0351 0.9149 0.0725 -0.0048 -0.0363 201 HOH y O +62674 O O . HOH MK . ? 1.3306 0.9939 0.8723 0.0595 -0.0325 -0.0422 202 HOH y O +# diff --git a/tests/test_data/2a0x.npz b/tests/test_data/8ira.mtz similarity index 67% rename from tests/test_data/2a0x.npz rename to tests/test_data/8ira.mtz index d9117d1..ce05954 100644 Binary files a/tests/test_data/2a0x.npz and b/tests/test_data/8ira.mtz differ diff --git a/tests/test_data/8ira_final.cif b/tests/test_data/8ira_final.cif new file mode 100644 index 0000000..c185415 --- /dev/null +++ b/tests/test_data/8ira_final.cif @@ -0,0 +1,142641 @@ +data_8IRA +# +_entry.id 8IRA +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.362 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_atom_id +_struct_conn.ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_auth_alt_id +_struct_conn.ptnr2_auth_atom_id +_struct_conn.ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_auth_alt_id +_struct_conn.pdbx_ptnr3_auth_alt_id +_struct_conn.pdbx_ptnr3_auth_asym_id +_struct_conn.pdbx_ptnr3_auth_atom_id +_struct_conn.pdbx_ptnr3_auth_comp_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_auth_seq_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_alt_id +disulf1 disulf M ? CYS 16 SG 1_555 M ? CYS 41 SG O CYS 19 O CYS 44 1_555 2.01 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +disulf2 disulf AG ? CYS 16 SG 1_555 AG ? CYS 41 SG o CYS 19 o CYS 44 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale1 covale H ? FME 1 C 1_555 H ? GLU 2 N I FME 1 I GLU 2 1_555 1.37 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale2 covale L ? FME 1 C 1_555 L ? GLU 2 N M FME 1 M GLU 2 1_555 1.32 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale3 covale O ? FME 1 C 1_555 O ? GLU 2 N T FME 1 T GLU 2 1_555 1.33 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale4 covale FI ? HEC . CAB ? Q ? CYS 37 SG V HEC 201 V CYS 37 ? 1.00 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale5 covale FI ? HEC . CAC ? Q ? CYS 40 SG V HEC 201 V CYS 40 ? 1.00 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale6 covale AB ? FME 1 C 1_555 AB ? GLU 2 N i FME 1 i GLU 2 1_555 1.36 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale7 covale AF ? FME 1 C 1_555 AF ? GLU 2 N m FME 1 m GLU 2 1_555 1.30 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale8 covale AH ? FME 1 C 1_555 AH ? GLU 2 N t FME 1 t GLU 2 1_555 1.32 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale9 covale IC ? HEC . CAB ? AJ ? CYS 37 SG v HEC 201 v CYS 37 ? 1.00 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +covale10 covale IC ? HEC . CAC ? AJ ? CYS 40 SG v HEC 201 v CYS 40 ? 1.00 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc11 metalc ID A OEX . CA1 1_555 A A ASP 160 OD1 A OEX 413 A ASP 170 1_555 2.68 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc12 metalc ID B OEX . CA1 1_555 A B ASP 160 OD1 A OEX 413 A ASP 170 1_555 2.60 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc13 metalc ID A OEX . MN4 1_555 A A ASP 160 OD2 A OEX 413 A ASP 170 1_555 1.78 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc14 metalc ID B OEX . MN4 1_555 A B ASP 160 OD2 A OEX 413 A ASP 170 1_555 1.80 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc15 metalc ID A OEX . CA1 1_555 A A GLU 179 OE1 A OEX 413 A GLU 189 1_555 2.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc16 metalc ID B OEX . CA1 1_555 A B GLU 179 OE1 A OEX 413 A GLU 189 1_555 2.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc17 metalc ID A OEX . MN1 1_555 A A GLU 179 OE2 A OEX 413 A GLU 189 1_555 1.73 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc18 metalc ID B OEX . MN1 1_555 A B GLU 179 OE2 A OEX 413 A GLU 189 1_555 1.73 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc19 metalc EF A FE2 . FE 1_555 A A HIS 205 NE2 A FE2 401 A HIS 215 1_555 2.01 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc20 metalc EF B FE2 . FE 1_555 A B HIS 205 NE2 A FE2 401 A HIS 215 1_555 2.03 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc21 metalc EF A FE2 . FE 1_555 A A HIS 262 NE2 A FE2 401 A HIS 272 1_555 2.03 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc22 metalc EF B FE2 . FE 1_555 A B HIS 262 NE2 A FE2 401 A HIS 272 1_555 2.04 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc23 metalc ID A OEX . MN1 1_555 A A HIS 322 NE2 A OEX 413 A HIS 332 1_555 1.82 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc24 metalc ID B OEX . MN1 1_555 A B HIS 322 NE2 A OEX 413 A HIS 332 1_555 1.83 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc25 metalc ID A OEX . MN3 1_555 A A GLU 323 OE1 A OEX 413 A GLU 333 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc26 metalc ID B OEX . MN3 1_555 A B GLU 323 OE1 A OEX 413 A GLU 333 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc27 metalc ID A OEX . MN4 1_555 A A GLU 323 OE2 A OEX 413 A GLU 333 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc28 metalc ID B OEX . MN4 1_555 A B GLU 323 OE2 A OEX 413 A GLU 333 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc29 metalc ID A OEX . MN2 1_555 A A ASP 332 OD1 A OEX 413 A ASP 342 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc30 metalc ID B OEX . MN2 1_555 A B ASP 332 OD1 A OEX 413 A ASP 342 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc31 metalc ID A OEX . MN1 1_555 A A ASP 332 OD2 A OEX 413 A ASP 342 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc32 metalc ID B OEX . MN1 1_555 A B ASP 332 OD2 A OEX 413 A ASP 342 1_555 1.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc33 metalc ID A OEX . CA1 1_555 A A ALA 334 O A OEX 413 A ALA 344 1_555 2.66 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc34 metalc ID B OEX . CA1 1_555 A B ALA 334 O A OEX 413 A ALA 344 1_555 2.48 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc35 metalc ID A OEX . MN2 1_555 A A ALA 334 OXT A OEX 413 A ALA 344 1_555 1.74 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc36 metalc ID B OEX . MN2 1_555 A B ALA 334 OXT A OEX 413 A ALA 344 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc37 metalc EF A FE2 . FE 1_555 D A HIS 204 NE2 A FE2 401 D HIS 214 1_555 2.00 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc38 metalc EF B FE2 . FE 1_555 D B HIS 204 NE2 A FE2 401 D HIS 214 1_555 2.01 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc39 metalc EF A FE2 . FE 1_555 D A HIS 258 NE2 A FE2 401 D HIS 268 1_555 2.03 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc40 metalc EF B FE2 . FE 1_555 D B HIS 258 NE2 A FE2 401 D HIS 268 1_555 2.04 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc41 metalc EF A FE2 . FE 1_555 DM A BCT . O1 A FE2 401 D BCT 401 1_555 1.96 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc42 metalc EF A FE2 . FE 1_555 DM A BCT . O2 A FE2 401 D BCT 401 1_555 1.96 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc43 metalc EF B FE2 . FE 1_555 DM B BCT . O1 A FE2 401 D BCT 401 1_555 1.96 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc44 metalc EF B FE2 . FE 1_555 DM B BCT . O2 A FE2 401 D BCT 401 1_555 1.97 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc45 metalc FN A CLA . MG 1_555 IM A HOH . O A CLA 405 A HOH 584 1_555 2.13 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc46 metalc FN B CLA . MG 1_555 IM B HOH . O A CLA 405 A HOH 584 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc47 metalc FV A CLA . MG 1_555 IM ? HOH . O A CLA 406 A HOH 626 1_555 1.88 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc48 metalc FV B CLA . MG 1_555 IM ? HOH . O A CLA 406 A HOH 626 1_555 1.96 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc49 metalc ID A OEX . MN4 1_555 IM A HOH . O A OEX 413 A HOH 544 1_555 1.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc50 metalc ID B OEX . MN4 1_555 IM B HOH . O A OEX 413 A HOH 544 1_555 1.78 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc51 metalc ID A OEX . MN4 1_555 IM A HOH . O A OEX 413 A HOH 548 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc52 metalc ID B OEX . MN4 1_555 IM B HOH . O A OEX 413 A HOH 548 1_555 1.78 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc53 metalc ID A OEX . MN2 1_555 C A GLU 332 OE1 A OEX 413 C GLU 354 1_555 1.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc54 metalc ID B OEX . MN2 1_555 C B GLU 332 OE1 A OEX 413 C GLU 354 1_555 1.79 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc55 metalc ID A OEX . MN3 1_555 C A GLU 332 OE2 A OEX 413 C GLU 354 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc56 metalc ID B OEX . MN3 1_555 C B GLU 332 OE2 A OEX 413 C GLU 354 1_555 1.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc57 metalc CN ? CLA . MG 1_555 IO ? HOH . O B CLA 601 B HOH 747 1_555 1.93 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc58 metalc FF ? CLA . MG 1_555 IO ? HOH . O B CLA 610 B HOH 710 1_555 2.10 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc59 metalc HN ? CLA . MG 1_555 C ? ASN 17 OD1 C CLA 512 C ASN 39 1_555 1.84 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc60 metalc DE ? CA . CA 1_555 C ? ASN 133 O C CA 524 C ASN 155 1_555 2.70 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc61 metalc DE ? CA . CA 1_555 C ? ASN 133 OD1 C CA 524 C ASN 155 1_555 2.97 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc62 metalc DE ? CA . CA 1_555 C ? THR 136 OG1 C CA 524 C THR 158 1_555 2.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc63 metalc DE ? CA . CA 1_555 C ? THR 137 OG1 C CA 524 C THR 159 1_555 2.68 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc64 metalc DE ? CA . CA 1_555 C ? HIS 229 O C CA 524 C HIS 251 1_555 2.78 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc65 metalc DE ? CA . CA 1_555 C ? ILE 230 O C CA 524 C ILE 252 1_555 2.97 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc66 metalc DE ? CA . CA 1_555 C ? THR 232 O C CA 524 C THR 254 1_555 2.70 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc67 metalc GE ? CLA . MG 1_555 IP ? HOH . O C CLA 508 C HOH 629 1_555 1.89 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc68 metalc CC ? MG . MG 1_555 GN ? LMG . O4 J MG 102 D LMG 411 1_555 2.18 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc69 metalc HX ? HEM . FE 1_555 E ? HIS 20 NE2 F HEM 102 E HIS 23 1_555 2.08 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc70 metalc HX ? HEM . FE 1_555 F ? HIS 13 NE2 F HEM 102 F HIS 24 1_555 2.09 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc71 metalc AQ ? CA . CA 1_555 F ? ARG 34 O F CA 104 F ARG 45 1_555 2.86 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc72 metalc CC ? MG . MG 1_555 I ? GLY 29 O J MG 102 J GLY 30 1_555 2.13 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc73 metalc CC ? MG . MG 1_555 I ? ALA 32 O J MG 102 J ALA 33 1_555 2.15 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc74 metalc CC ? MG . MG 1_555 I ? LEU 34 O J MG 102 J LEU 35 1_555 2.16 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc75 metalc DU ? CA . CA 1_555 M ? THR 135 O O CA 301 O THR 138 1_555 2.60 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc76 metalc DU ? CA . CA 1_555 M ? ASP 138 OD2 O CA 301 O ASP 141 1_555 3.20 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc77 metalc DU ? CA . CA 1_555 M ? VAL 198 O O CA 301 O VAL 201 1_555 3.06 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc78 metalc DU ? CA . CA 1_555 IV ? HOH . O O CA 301 O HOH 417 1_555 2.45 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc79 metalc FI ? HEC . FE 1_555 Q ? HIS 41 NE2 V HEC 201 V HIS 41 1_555 2.00 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc80 metalc FI ? HEC . FE 1_555 Q ? HIS 92 NE2 V HEC 201 V HIS 92 1_555 2.01 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc81 metalc CD A OEX . CA1 1_555 U A ASP 160 OD1 a OEX 411 a ASP 170 1_555 2.55 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc82 metalc CD B OEX . CA1 1_555 U B ASP 160 OD1 a OEX 411 a ASP 170 1_555 2.44 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc83 metalc CD A OEX . MN4 1_555 U A ASP 160 OD2 a OEX 411 a ASP 170 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc84 metalc CD B OEX . MN4 1_555 U B ASP 160 OD2 a OEX 411 a ASP 170 1_555 1.79 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc85 metalc CD A OEX . CA1 1_555 U A GLU 179 OE1 a OEX 411 a GLU 189 1_555 2.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc86 metalc CD B OEX . CA1 1_555 U B GLU 179 OE1 a OEX 411 a GLU 189 1_555 2.86 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc87 metalc CD A OEX . MN1 1_555 U A GLU 179 OE2 a OEX 411 a GLU 189 1_555 1.74 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc88 metalc CD B OEX . MN1 1_555 U B GLU 179 OE2 a OEX 411 a GLU 189 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc89 metalc GX A FE2 . FE 1_555 U A HIS 205 NE2 a FE2 401 a HIS 215 1_555 2.01 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc90 metalc GX B FE2 . FE 1_555 U B HIS 205 NE2 a FE2 401 a HIS 215 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc91 metalc GX A FE2 . FE 1_555 U A HIS 262 NE2 a FE2 401 a HIS 272 1_555 2.05 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc92 metalc GX B FE2 . FE 1_555 U B HIS 262 NE2 a FE2 401 a HIS 272 1_555 2.05 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc93 metalc CD A OEX . MN1 1_555 U A HIS 322 NE2 a OEX 411 a HIS 332 1_555 1.80 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc94 metalc CD B OEX . MN1 1_555 U B HIS 322 NE2 a OEX 411 a HIS 332 1_555 1.81 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc95 metalc CD A OEX . MN3 1_555 U A GLU 323 OE1 a OEX 411 a GLU 333 1_555 1.72 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc96 metalc CD B OEX . MN3 1_555 U B GLU 323 OE1 a OEX 411 a GLU 333 1_555 1.74 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc97 metalc CD A OEX . MN4 1_555 U A GLU 323 OE2 a OEX 411 a GLU 333 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc98 metalc CD B OEX . MN4 1_555 U B GLU 323 OE2 a OEX 411 a GLU 333 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc99 metalc CD A OEX . MN2 1_555 U A ASP 332 OD1 a OEX 411 a ASP 342 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc100 metalc CD B OEX . MN2 1_555 U B ASP 332 OD1 a OEX 411 a ASP 342 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc101 metalc CD A OEX . MN1 1_555 U A ASP 332 OD2 a OEX 411 a ASP 342 1_555 1.74 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc102 metalc CD B OEX . MN1 1_555 U B ASP 332 OD2 a OEX 411 a ASP 342 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc103 metalc CD A OEX . CA1 1_555 U A ALA 334 O a OEX 411 a ALA 344 1_555 2.64 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc104 metalc CD B OEX . CA1 1_555 U B ALA 334 O a OEX 411 a ALA 344 1_555 2.46 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc105 metalc CD A OEX . MN2 1_555 U A ALA 334 OXT a OEX 411 a ALA 344 1_555 1.73 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc106 metalc CD B OEX . MN2 1_555 U B ALA 334 OXT a OEX 411 a ALA 344 1_555 1.74 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc107 metalc GX A FE2 . FE 1_555 X A HIS 203 NE2 a FE2 401 d HIS 214 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc108 metalc GX B FE2 . FE 1_555 X B HIS 203 NE2 a FE2 401 d HIS 214 1_555 2.04 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc109 metalc GX A FE2 . FE 1_555 X A HIS 257 NE2 a FE2 401 d HIS 268 1_555 2.04 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc110 metalc GX B FE2 . FE 1_555 X B HIS 257 NE2 a FE2 401 d HIS 268 1_555 2.04 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc111 metalc GX A FE2 . FE 1_555 GB A BCT . O1 a FE2 401 d BCT 401 1_555 1.97 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc112 metalc GX A FE2 . FE 1_555 GB A BCT . O2 a FE2 401 d BCT 401 1_555 1.97 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc113 metalc GX B FE2 . FE 1_555 GB B BCT . O1 a FE2 401 d BCT 401 1_555 1.98 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc114 metalc GX B FE2 . FE 1_555 GB B BCT . O2 a FE2 401 d BCT 401 1_555 1.98 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc115 metalc IH A CLA . MG 1_555 IX ? HOH . O a CLA 405 a HOH 608 1_555 1.94 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc116 metalc IH B CLA . MG 1_555 IX ? HOH . O a CLA 405 a HOH 608 1_555 2.03 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc117 metalc CD A OEX . MN4 1_555 IX A HOH . O a OEX 411 a HOH 539 1_555 1.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc118 metalc CD B OEX . MN4 1_555 IX B HOH . O a OEX 411 a HOH 539 1_555 1.78 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc119 metalc CD A OEX . MN4 1_555 IX A HOH . O a OEX 411 a HOH 568 1_555 1.74 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc120 metalc CD B OEX . MN4 1_555 IX B HOH . O a OEX 411 a HOH 568 1_555 1.79 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc121 metalc CD A OEX . MN2 1_555 W A GLU 336 OE1 a OEX 411 c GLU 354 1_555 1.77 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc122 metalc CD B OEX . MN2 1_555 W B GLU 336 OE1 a OEX 411 c GLU 354 1_555 1.78 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc123 metalc CD A OEX . MN3 1_555 W A GLU 336 OE2 a OEX 411 c GLU 354 1_555 1.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc124 metalc CD B OEX . MN3 1_555 W B GLU 336 OE2 a OEX 411 c GLU 354 1_555 1.76 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc125 metalc GI A CLA . MG 1_555 IX A HOH . O d CLA 402 a HOH 562 1_555 2.09 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc126 metalc GI B CLA . MG 1_555 IX B HOH . O d CLA 402 a HOH 562 1_555 2.09 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc127 metalc EK ? CLA . MG 1_555 IY ? HOH . O b CLA 601 b HOH 706 1_555 1.99 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc128 metalc GG ? CLA . MG 1_555 IY ? HOH . O b CLA 607 b HOH 869 1_555 2.01 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc129 metalc HH ? CLA . MG 1_555 IY ? HOH . O b CLA 610 b HOH 774 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc130 metalc EM ? CA . CA 1_555 W ? PHE 4 O c CA 524 c PHE 22 1_555 2.49 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc131 metalc EM ? CA . CA 1_555 W ? THR 6 O c CA 524 c THR 24 1_555 2.39 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc132 metalc EM ? CA . CA 1_555 W ? ASP 9 OD1 c CA 524 c ASP 27 1_555 2.59 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc133 metalc EM ? CA . CA 1_555 W ? ASP 9 OD2 c CA 524 c ASP 27 1_555 2.30 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc134 metalc EM ? CA . CA 1_555 W ? GLU 11 OE1 c CA 524 c GLU 29 1_555 2.34 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc135 metalc EM ? CA . CA 1_555 W ? SER 12 OG c CA 524 c SER 30 1_555 2.47 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc136 metalc AZ ? CLA . MG 1_555 W ? ASN 21 OD1 c CLA 512 c ASN 39 1_555 1.83 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc137 metalc EE ? CA . CA 1_555 W ? ASN 137 O c CA 523 c ASN 155 1_555 2.79 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc138 metalc EE ? CA . CA 1_555 W ? THR 140 OG1 c CA 523 c THR 158 1_555 2.72 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc139 metalc EE ? CA . CA 1_555 W ? THR 141 OG1 c CA 523 c THR 159 1_555 2.71 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc140 metalc EE ? CA . CA 1_555 W ? HIS 233 O c CA 523 c HIS 251 1_555 2.55 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc141 metalc EE ? CA . CA 1_555 W ? ILE 234 O c CA 523 c ILE 252 1_555 2.84 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc142 metalc EE ? CA . CA 1_555 W ? THR 236 O c CA 523 c THR 254 1_555 2.67 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc143 metalc GQ ? CLA . MG 1_555 IZ ? HOH . O c CLA 505 c HOH 732 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc144 metalc HR ? CLA . MG 1_555 IZ ? HOH . O c CLA 508 c HOH 626 1_555 1.89 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc145 metalc EM ? CA . CA 1_555 IZ ? HOH . O c CA 524 c HOH 730 1_555 2.30 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc146 metalc EU ? MG . MG 1_555 BQ ? LMG . O4 j MG 102 d LMG 412 1_555 2.16 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc147 metalc CT ? HEM . FE 1_555 Y ? HIS 18 NE2 f HEM 101 e HIS 23 1_555 2.06 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc148 metalc CT ? HEM . FE 1_555 Z ? HIS 10 NE2 f HEM 101 f HIS 24 1_555 2.09 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc149 metalc DJ ? CA . CA 1_555 Z ? ARG 31 O f CA 103 f ARG 45 1_555 2.81 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc150 metalc DJ ? CA . CA 1_555 Z ? ARG 31 OXT f CA 103 f ARG 45 1_555 2.75 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc151 metalc DJ ? CA . CA 1_555 AJ ? GLU 23 OE2 f CA 103 v GLU 23 1_555 2.95 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc152 metalc DJ ? CA . CA 1_555 IS ? HOH . O f CA 103 v HOH 313 1_555 2.59 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc153 metalc EU ? MG . MG 1_555 AC ? GLY 30 O j MG 102 j GLY 30 1_555 2.12 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc154 metalc EU ? MG . MG 1_555 AC ? ALA 33 O j MG 102 j ALA 33 1_555 2.16 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc155 metalc EU ? MG . MG 1_555 AC ? LEU 35 O j MG 102 j LEU 35 1_555 2.15 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc156 metalc GS ? CA . CA 1_555 AG ? THR 135 O o CA 301 o THR 138 1_555 2.59 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc157 metalc GS ? CA . CA 1_555 AG ? ASN 197 OD1 o CA 301 o ASN 200 1_555 2.46 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc158 metalc GS ? CA . CA 1_555 AG ? VAL 198 O o CA 301 o VAL 201 1_555 2.64 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc159 metalc GS ? CA . CA 1_555 IR ? HOH . O o CA 301 o HOH 401 1_555 2.37 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc160 metalc IC ? HEC . FE 1_555 AJ ? HIS 41 NE2 v HEC 201 v HIS 41 1_555 1.98 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +metalc161 metalc IC ? HEC . FE 1_555 AJ ? HIS 92 NE2 v HEC 201 v HIS 92 1_555 2.02 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 TYR 34 P . ? TYR 42 U PRO 35 P ? PRO 43 U 1 0.09 +2 ALA 45 P . ? ALA 53 U PRO 46 P ? PRO 54 U 1 0.06 +3 THR 63 Q . ? THR 63 V PRO 64 Q ? PRO 64 V 1 -0.18 +4 TYR 35 AI . ? TYR 42 u PRO 36 AI ? PRO 43 u 1 0.13 +5 ALA 46 AI . ? ALA 53 u PRO 47 AI ? PRO 54 u 1 -0.08 +6 THR 63 AJ . ? THR 63 v PRO 64 AJ ? PRO 64 v 1 -0.07 +7 PHE 59 AM . ? PHE 59 z PHE 60 AM ? PHE 60 z 1 0.28 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +28 +;2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-26,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4BENZOQUINONE +; +PL9 +29 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-DGLUCOPYRANOSYL]-SN-GLYCEROL SQD +30 BETA-CAROTENE BCR +31 'CALCIUM ION' CA +32 'PHEOPHYTIN A' PHO +33 'CHLOROPHYLL A' CLA +34 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE LMG +35 'HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE' HTG +36 'DIGALACTOSYL DIACYL GLYCEROL (DGDG)' DGD +37 DODECYL-BETA-D-MALTOSIDE LMT +38 GLYCEROL GOL +39 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE LHG +40 'MAGNESIUM ION' MG +41 'CA-MN4-O5 CLUSTER' OEX +42 'PROTOPORPHYRIN IX CONTAINING FE' HEM +43 'BICARBONATE ION' BCT +44 'FE (II) ION' FE2 +45 'CHLORIDE ION' CL +46 'HEME C' HEC +47 water HOH +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +_atom_site_anisotrop.pdbx_auth_alt_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.pdbx_PDB_model_num +1 N N . ALA A 1 0.7010 1.6798 1.6748 0.1893 -0.1711 -0.0693 11 ALA A N ? ? 1 +2 C CA . ALA A 1 0.6957 1.6613 1.6591 0.1785 -0.1646 -0.0646 11 ALA A CA ? ? 1 +3 C CB . ALA A 1 0.6983 1.6513 1.6461 0.1777 -0.1705 -0.0614 11 ALA A CB ? ? 1 +4 C C . ALA A 1 0.6726 1.6529 1.6527 0.1672 -0.1583 -0.0678 11 ALA A C ? ? 1 +5 O O . ALA A 1 0.6764 1.6598 1.6582 0.1598 -0.1596 -0.0684 11 ALA A O ? ? 1 +6 N N . ASN A 2 0.6259 1.6147 1.6176 0.1660 -0.1513 -0.0698 12 ASN A N ? ? 1 +7 C CA . ASN A 2 0.5719 1.5729 1.5782 0.1555 -0.1439 -0.0723 12 ASN A CA ? ? 1 +8 C CB . ASN A 2 0.5891 1.6011 1.6088 0.1578 -0.1380 -0.0754 12 ASN A CB ? ? 1 +9 C CG . ASN A 2 0.6219 1.6175 1.6290 0.1582 -0.1308 -0.0706 12 ASN A CG ? ? 1 +10 O OD1 . ASN A 2 0.6566 1.6358 1.6473 0.1649 -0.1334 -0.0665 12 ASN A OD1 ? ? 1 +11 N ND2 . ASN A 2 0.6333 1.6322 1.6471 0.1507 -0.1216 -0.0709 12 ASN A ND2 ? ? 1 +12 C C . ASN A 2 0.5194 1.5054 1.5137 0.1452 -0.1369 -0.0672 12 ASN A C ? ? 1 +13 O O . ASN A 2 0.4851 1.4517 1.4606 0.1465 -0.1368 -0.0617 12 ASN A O ? ? 1 +14 N N . LEU A 3 0.4604 1.4558 1.4660 0.1350 -0.1308 -0.0691 13 LEU A N ? ? 1 +15 C CA . LEU A 3 0.4139 1.3979 1.4103 0.1247 -0.1253 -0.0652 13 LEU A CA ? ? 1 +16 C CB . LEU A 3 0.4156 1.4153 1.4288 0.1150 -0.1208 -0.0693 13 LEU A CB ? ? 1 +17 C CG . LEU A 3 0.4475 1.4384 1.4542 0.1038 -0.1148 -0.0661 13 LEU A CG ? ? 1 +18 C CD1 . LEU A 3 0.4683 1.4482 1.4618 0.1019 -0.1205 -0.0631 13 LEU A CD1 ? ? 1 +19 C CD2 . LEU A 3 0.4485 1.4552 1.4725 0.0951 -0.1100 -0.0704 13 LEU A CD2 ? ? 1 +20 C C . LEU A 3 0.3788 1.3460 1.3620 0.1234 -0.1179 -0.0599 13 LEU A C ? ? 1 +21 O O . LEU A 3 0.3568 1.3077 1.3246 0.1195 -0.1167 -0.0550 13 LEU A O ? ? 1 +22 N N . TRP A 4 0.3391 1.3104 1.3286 0.1264 -0.1129 -0.0612 14 TRP A N ? ? 1 +23 C CA . TRP A 4 0.3068 1.2624 1.2839 0.1261 -0.1064 -0.0567 14 TRP A CA ? ? 1 +24 C CB . TRP A 4 0.2843 1.2478 1.2713 0.1301 -0.1014 -0.0593 14 TRP A CB ? ? 1 +25 C CG . TRP A 4 0.2675 1.2156 1.2424 0.1300 -0.0949 -0.0551 14 TRP A CG ? ? 1 +26 C CD1 . TRP A 4 0.2660 1.2064 1.2341 0.1386 -0.0950 -0.0539 14 TRP A CD1 ? ? 1 +27 N NE1 . TRP A 4 0.2582 1.1847 1.2158 0.1351 -0.0881 -0.0501 14 TRP A NE1 ? ? 1 +28 C CE2 . TRP A 4 0.2538 1.1792 1.2113 0.1243 -0.0834 -0.0488 14 TRP A CE2 ? ? 1 +29 C CZ2 . TRP A 4 0.2524 1.1660 1.2010 0.1175 -0.0763 -0.0452 14 TRP A CZ2 ? ? 1 +30 C CH2 . TRP A 4 0.2436 1.1583 1.1936 0.1074 -0.0732 -0.0446 14 TRP A CH2 ? ? 1 +31 C CZ3 . TRP A 4 0.2381 1.1649 1.1980 0.1037 -0.0768 -0.0473 14 TRP A CZ3 ? ? 1 +32 C CE3 . TRP A 4 0.2466 1.1854 1.2156 0.1102 -0.0839 -0.0510 14 TRP A CE3 ? ? 1 +33 C CD2 . TRP A 4 0.2553 1.1936 1.2232 0.1209 -0.0874 -0.0518 14 TRP A CD2 ? ? 1 +34 C C . TRP A 4 0.3170 1.2538 1.2746 0.1327 -0.1111 -0.0519 14 TRP A C ? ? 1 +35 O O . TRP A 4 0.3066 1.2269 1.2497 0.1287 -0.1078 -0.0469 14 TRP A O ? ? 1 +36 N N . GLU A 5 0.3309 1.2702 1.2883 0.1427 -0.1187 -0.0534 15 GLU A N ? ? 1 +37 C CA . GLU A 5 0.3480 1.2694 1.2871 0.1498 -0.1230 -0.0490 15 GLU A CA ? ? 1 +38 C CB . GLU A 5 0.3822 1.3097 1.3245 0.1621 -0.1307 -0.0519 15 GLU A CB ? ? 1 +39 C CG . GLU A 5 0.4264 1.3345 1.3493 0.1704 -0.1345 -0.0474 15 GLU A CG ? ? 1 +40 C CD . GLU A 5 0.4717 1.3594 1.3781 0.1668 -0.1280 -0.0417 15 GLU A CD ? ? 1 +41 O OE2 . GLU A 5 0.4759 1.3481 1.3666 0.1647 -0.1295 -0.0372 15 GLU A OE2 ? ? 1 +42 O OE1 . GLU A 5 0.4986 1.3860 1.4081 0.1660 -0.1214 -0.0417 15 GLU A OE1 ? ? 1 +43 C C . GLU A 5 0.3262 1.2355 1.2518 0.1453 -0.1259 -0.0452 15 GLU A C ? ? 1 +44 O O . GLU A 5 0.3191 1.2098 1.2273 0.1463 -0.1254 -0.0402 15 GLU A O ? ? 1 +45 N N . ARG A 6 0.3082 1.2279 1.2418 0.1401 -0.1289 -0.0477 16 ARG A N ? ? 1 +46 C CA . ARG A 6 0.3060 1.2155 1.2280 0.1351 -0.1312 -0.0445 16 ARG A CA ? ? 1 +47 C CB . ARG A 6 0.3324 1.2566 1.2659 0.1314 -0.1358 -0.0487 16 ARG A CB ? ? 1 +48 C CG . ARG A 6 0.3832 1.3168 1.3218 0.1406 -0.1454 -0.0524 16 ARG A CG ? ? 1 +49 C CD . ARG A 6 0.4143 1.3632 1.3653 0.1361 -0.1497 -0.0569 16 ARG A CD ? ? 1 +50 N NE . ARG A 6 0.4428 1.3816 1.3830 0.1290 -0.1500 -0.0538 16 ARG A NE ? ? 1 +51 C CZ . ARG A 6 0.4652 1.4133 1.4134 0.1220 -0.1513 -0.0566 16 ARG A CZ ? ? 1 +52 N NH1 . ARG A 6 0.4694 1.4370 1.4353 0.1224 -0.1548 -0.0627 16 ARG A NH1 ? ? 1 +53 N NH2 . ARG A 6 0.4769 1.4143 1.4151 0.1145 -0.1491 -0.0532 16 ARG A NH2 ? ? 1 +54 C C . ARG A 6 0.2676 1.1659 1.1820 0.1256 -0.1232 -0.0404 16 ARG A C ? ? 1 +55 O O . ARG A 6 0.2513 1.1335 1.1498 0.1240 -0.1234 -0.0358 16 ARG A O ? ? 1 +56 N N . PHE A 7 0.2362 1.1435 1.1622 0.1195 -0.1162 -0.0424 17 PHE A N ? ? 1 +57 C CA . PHE A 7 0.2155 1.1137 1.1356 0.1108 -0.1084 -0.0391 17 PHE A CA ? ? 1 +58 C CB . PHE A 7 0.2090 1.1207 1.1447 0.1048 -0.1016 -0.0425 17 PHE A CB ? ? 1 +59 C CG . PHE A 7 0.2045 1.1074 1.1345 0.0958 -0.0937 -0.0393 17 PHE A CG ? ? 1 +60 C CD1 . PHE A 7 0.2009 1.0997 1.1266 0.0880 -0.0932 -0.0376 17 PHE A CD1 ? ? 1 +61 C CD2 . PHE A 7 0.2042 1.1025 1.1327 0.0957 -0.0869 -0.0381 17 PHE A CD2 ? ? 1 +62 C CE1 . PHE A 7 0.2004 1.0907 1.1204 0.0803 -0.0862 -0.0346 17 PHE A CE1 ? ? 1 +63 C CE2 . PHE A 7 0.1997 1.0897 1.1225 0.0880 -0.0802 -0.0353 17 PHE A CE2 ? ? 1 +64 C CZ . PHE A 7 0.1998 1.0860 1.1185 0.0804 -0.0799 -0.0335 17 PHE A CZ ? ? 1 +65 C C . PHE A 7 0.2068 1.0874 1.1118 0.1142 -0.1055 -0.0344 17 PHE A C ? ? 1 +66 O O . PHE A 7 0.2009 1.0672 1.0931 0.1095 -0.1029 -0.0300 17 PHE A O ? ? 1 +67 N N . CYS A 8 0.1987 1.0806 1.1057 0.1223 -0.1058 -0.0356 18 CYS A N ? ? 1 +68 C CA . CYS A 8 0.1978 1.0639 1.0916 0.1261 -0.1032 -0.0318 18 CYS A CA ? ? 1 +69 C CB . CYS A 8 0.2019 1.0738 1.1020 0.1348 -0.1034 -0.0344 18 CYS A CB ? ? 1 +70 S SG . CYS A 8 0.1904 1.0761 1.1068 0.1308 -0.0950 -0.0381 18 CYS A SG ? ? 1 +71 C C . CYS A 8 0.2019 1.0515 1.0781 0.1294 -0.1081 -0.0274 18 CYS A C ? ? 1 +72 O O . CYS A 8 0.2008 1.0344 1.0635 0.1271 -0.1048 -0.0230 18 CYS A O ? ? 1 +73 N N . ASN A 9 0.2030 1.0566 1.0796 0.1348 -0.1159 -0.0289 19 ASN A N ? ? 1 +74 C CA . ASN A 9 0.2088 1.0475 1.0689 0.1379 -0.1209 -0.0251 19 ASN A CA ? ? 1 +75 C CB . ASN A 9 0.2167 1.0628 1.0797 0.1452 -0.1298 -0.0278 19 ASN A CB ? ? 1 +76 C CG . ASN A 9 0.2305 1.0772 1.0937 0.1563 -0.1334 -0.0292 19 ASN A CG ? ? 1 +77 O OD1 . ASN A 9 0.2367 1.0729 1.0924 0.1596 -0.1300 -0.0269 19 ASN A OD1 ? ? 1 +78 N ND2 . ASN A 9 0.2372 1.0963 1.1089 0.1626 -0.1407 -0.0332 19 ASN A ND2 ? ? 1 +79 C C . ASN A 9 0.1976 1.0273 1.0491 0.1290 -0.1187 -0.0216 19 ASN A C ? ? 1 +80 O O . ASN A 9 0.2006 1.0137 1.0361 0.1297 -0.1190 -0.0172 19 ASN A O ? ? 1 +81 N N . TRP A 10 0.1820 1.0230 1.0442 0.1210 -0.1166 -0.0239 20 TRP A N ? ? 1 +82 C CA . TRP A 10 0.1730 1.0072 1.0286 0.1125 -0.1145 -0.0211 20 TRP A CA ? ? 1 +83 C CB . TRP A 10 0.1640 1.0133 1.0332 0.1056 -0.1145 -0.0248 20 TRP A CB ? ? 1 +84 C CG . TRP A 10 0.1610 1.0022 1.0227 0.0971 -0.1118 -0.0218 20 TRP A CG ? ? 1 +85 C CD1 . TRP A 10 0.1654 0.9975 1.0158 0.0966 -0.1158 -0.0192 20 TRP A CD1 ? ? 1 +86 N NE1 . TRP A 10 0.1584 0.9845 1.0043 0.0881 -0.1113 -0.0168 20 TRP A NE1 ? ? 1 +87 C CE2 . TRP A 10 0.1514 0.9816 1.0047 0.0831 -0.1044 -0.0174 20 TRP A CE2 ? ? 1 +88 C CZ2 . TRP A 10 0.1446 0.9709 0.9963 0.0745 -0.0983 -0.0156 20 TRP A CZ2 ? ? 1 +89 C CH2 . TRP A 10 0.1390 0.9705 0.9987 0.0713 -0.0921 -0.0168 20 TRP A CH2 ? ? 1 +90 C CZ3 . TRP A 10 0.1406 0.9812 1.0100 0.0762 -0.0917 -0.0198 20 TRP A CZ3 ? ? 1 +91 C CE3 . TRP A 10 0.1473 0.9922 1.0187 0.0848 -0.0977 -0.0217 20 TRP A CE3 ? ? 1 +92 C CD2 . TRP A 10 0.1528 0.9923 1.0159 0.0884 -0.1044 -0.0205 20 TRP A CD2 ? ? 1 +93 C C . TRP A 10 0.1654 0.9880 1.0136 0.1071 -0.1068 -0.0174 20 TRP A C ? ? 1 +94 O O . TRP A 10 0.1645 0.9732 0.9995 0.1043 -0.1059 -0.0133 20 TRP A O ? ? 1 +95 N N . VAL A 11 0.1570 0.9861 1.0142 0.1056 -0.1014 -0.0192 21 VAL A N ? ? 1 +96 C CA . VAL A 11 0.1500 0.9698 1.0016 0.1008 -0.0941 -0.0164 21 VAL A CA ? ? 1 +97 C CB . VAL A 11 0.1456 0.9762 1.0100 0.0999 -0.0888 -0.0196 21 VAL A CB ? ? 1 +98 C CG1 . VAL A 11 0.1453 0.9647 1.0022 0.0974 -0.0822 -0.0167 21 VAL A CG1 ? ? 1 +99 C CG2 . VAL A 11 0.1365 0.9821 1.0150 0.0929 -0.0868 -0.0230 21 VAL A CG2 ? ? 1 +100 C C . VAL A 11 0.1566 0.9587 0.9924 0.1053 -0.0941 -0.0122 21 VAL A C ? ? 1 +101 O O . VAL A 11 0.1562 0.9463 0.9822 0.1003 -0.0902 -0.0086 21 VAL A O ? ? 1 +102 N N . THR A 12 0.1622 0.9627 0.9957 0.1145 -0.0983 -0.0128 22 THR A N ? ? 1 +103 C CA . THR A 12 0.1697 0.9532 0.9882 0.1192 -0.0984 -0.0090 22 THR A CA ? ? 1 +104 C CB . THR A 12 0.1760 0.9617 0.9976 0.1279 -0.0990 -0.0110 22 THR A CB ? ? 1 +105 O OG1 . THR A 12 0.1792 0.9755 1.0079 0.1349 -0.1057 -0.0143 22 THR A OG1 ? ? 1 +106 C CG2 . THR A 12 0.1689 0.9631 1.0013 0.1253 -0.0929 -0.0135 22 THR A CG2 ? ? 1 +107 C C . THR A 12 0.1770 0.9496 0.9825 0.1225 -0.1041 -0.0062 22 THR A C ? ? 1 +108 O O . THR A 12 0.1855 0.9447 0.9789 0.1278 -0.1052 -0.0035 22 THR A O ? ? 1 +109 N N . SER A 13 0.1740 0.9522 0.9819 0.1194 -0.1075 -0.0069 23 SER A N ? ? 1 +110 C CA . SER A 13 0.1840 0.9525 0.9797 0.1224 -0.1129 -0.0045 23 SER A CA ? ? 1 +111 C CB . SER A 13 0.1799 0.9588 0.9820 0.1196 -0.1172 -0.0067 23 SER A CB ? ? 1 +112 O OG . SER A 13 0.1877 0.9555 0.9764 0.1211 -0.1213 -0.0038 23 SER A OG ? ? 1 +113 C C . SER A 13 0.1888 0.9394 0.9689 0.1181 -0.1096 0.0007 23 SER A C ? ? 1 +114 O O . SER A 13 0.1790 0.9286 0.9598 0.1099 -0.1047 0.0020 23 SER A O ? ? 1 +115 N N . THR A 14 0.2034 0.9401 0.9696 0.1241 -0.1125 0.0036 24 THR A N ? ? 1 +116 C CA . THR A 14 0.2100 0.9294 0.9606 0.1212 -0.1103 0.0084 24 THR A CA ? ? 1 +117 C CB . THR A 14 0.2242 0.9292 0.9620 0.1290 -0.1119 0.0109 24 THR A CB ? ? 1 +118 O OG1 . THR A 14 0.2346 0.9410 0.9700 0.1371 -0.1192 0.0097 24 THR A OG1 ? ? 1 +119 C CG2 . THR A 14 0.2247 0.9300 0.9664 0.1320 -0.1086 0.0098 24 THR A CG2 ? ? 1 +120 C C . THR A 14 0.2132 0.9303 0.9583 0.1180 -0.1133 0.0098 24 THR A C ? ? 1 +121 O O . THR A 14 0.2207 0.9241 0.9532 0.1152 -0.1115 0.0138 24 THR A O ? ? 1 +122 N N . ASP A 15 0.2118 0.9425 0.9666 0.1180 -0.1175 0.0065 25 ASP A N ? ? 1 +123 C CA . ASP A 15 0.2149 0.9445 0.9652 0.1152 -0.1205 0.0073 25 ASP A CA ? ? 1 +124 C CB . ASP A 15 0.2236 0.9618 0.9777 0.1217 -0.1284 0.0042 25 ASP A CB ? ? 1 +125 C CG . ASP A 15 0.2433 0.9717 0.9867 0.1317 -0.1328 0.0055 25 ASP A CG ? ? 1 +126 O OD1 . ASP A 15 0.2542 0.9656 0.9831 0.1324 -0.1302 0.0099 25 ASP A OD1 ? ? 1 +127 O OD2 . ASP A 15 0.2488 0.9864 0.9983 0.1390 -0.1389 0.0022 25 ASP A OD2 ? ? 1 +128 C C . ASP A 15 0.2013 0.9386 0.9594 0.1056 -0.1170 0.0064 25 ASP A C ? ? 1 +129 O O . ASP A 15 0.2035 0.9403 0.9585 0.1026 -0.1191 0.0069 25 ASP A O ? ? 1 +130 N N . ASN A 16 0.1890 0.9328 0.9567 0.1008 -0.1116 0.0052 26 ASN A N ? ? 1 +131 C CA . ASN A 16 0.1759 0.9245 0.9491 0.0916 -0.1075 0.0049 26 ASN A CA ? ? 1 +132 C CB . ASN A 16 0.1683 0.9282 0.9551 0.0885 -0.1031 0.0021 26 ASN A CB ? ? 1 +133 C CG . ASN A 16 0.1662 0.9430 0.9675 0.0913 -0.1066 -0.0029 26 ASN A CG ? ? 1 +134 O OD1 . ASN A 16 0.1703 0.9521 0.9731 0.0927 -0.1119 -0.0045 26 ASN A OD1 ? ? 1 +135 N ND2 . ASN A 16 0.1623 0.9479 0.9743 0.0918 -0.1036 -0.0055 26 ASN A ND2 ? ? 1 +136 C C . ASN A 16 0.1734 0.9074 0.9342 0.0867 -0.1034 0.0095 26 ASN A C ? ? 1 +137 O O . ASN A 16 0.1786 0.9011 0.9307 0.0887 -0.1011 0.0123 26 ASN A O ? ? 1 +138 N N . ARG A 17 0.1641 0.8987 0.9244 0.0803 -0.1025 0.0101 27 ARG A N ? ? 1 +139 C CA . ARG A 17 0.1613 0.8831 0.9104 0.0757 -0.0991 0.0142 27 ARG A CA ? ? 1 +140 C CB . ARG A 17 0.1551 0.8804 0.9055 0.0697 -0.0994 0.0139 27 ARG A CB ? ? 1 +141 C CG . ARG A 17 0.1535 0.8678 0.8945 0.0643 -0.0955 0.0176 27 ARG A CG ? ? 1 +142 C CD . ARG A 17 0.1648 0.8645 0.8912 0.0682 -0.0967 0.0212 27 ARG A CD ? ? 1 +143 N NE . ARG A 17 0.1635 0.8531 0.8814 0.0629 -0.0927 0.0246 27 ARG A NE ? ? 1 +144 C CZ . ARG A 17 0.1609 0.8444 0.8766 0.0597 -0.0876 0.0266 27 ARG A CZ ? ? 1 +145 N NH1 . ARG A 17 0.1595 0.8446 0.8796 0.0614 -0.0856 0.0258 27 ARG A NH1 ? ? 1 +146 N NH2 . ARG A 17 0.1600 0.8356 0.8688 0.0549 -0.0844 0.0294 27 ARG A NH2 ? ? 1 +147 C C . ARG A 17 0.1539 0.8721 0.9038 0.0719 -0.0927 0.0155 27 ARG A C ? ? 1 +148 O O . ARG A 17 0.1570 0.8626 0.8965 0.0711 -0.0901 0.0189 27 ARG A O ? ? 1 +149 N N . LEU A 18 0.1431 0.8726 0.9054 0.0696 -0.0903 0.0125 28 LEU A N ? ? 1 +150 C CA . LEU A 18 0.1365 0.8641 0.9007 0.0674 -0.0848 0.0130 28 LEU A CA ? ? 1 +151 C CB . LEU A 18 0.1270 0.8603 0.8978 0.0593 -0.0805 0.0123 28 LEU A CB ? ? 1 +152 C CG . LEU A 18 0.1263 0.8526 0.8897 0.0536 -0.0793 0.0151 28 LEU A CG ? ? 1 +153 C CD1 . LEU A 18 0.1174 0.8503 0.8880 0.0463 -0.0755 0.0140 28 LEU A CD1 ? ? 1 +154 C CD2 . LEU A 18 0.1300 0.8420 0.8815 0.0532 -0.0768 0.0189 28 LEU A CD2 ? ? 1 +155 C C . LEU A 18 0.1349 0.8708 0.9077 0.0728 -0.0857 0.0100 28 LEU A C ? ? 1 +156 O O . LEU A 18 0.1311 0.8801 0.9149 0.0738 -0.0880 0.0064 28 LEU A O ? ? 1 +157 N N . TYR A 19 0.1363 0.8645 0.9041 0.0765 -0.0839 0.0113 29 TYR A N ? ? 1 +158 C CA . TYR A 19 0.1354 0.8701 0.9102 0.0823 -0.0845 0.0086 29 TYR A CA ? ? 1 +159 C CB . TYR A 19 0.1440 0.8663 0.9094 0.0869 -0.0833 0.0108 29 TYR A CB ? ? 1 +160 C CG . TYR A 19 0.1473 0.8757 0.9193 0.0935 -0.0839 0.0080 29 TYR A CG ? ? 1 +161 C CD1 . TYR A 19 0.1538 0.8872 0.9282 0.1011 -0.0895 0.0061 29 TYR A CD1 ? ? 1 +162 C CD2 . TYR A 19 0.1444 0.8738 0.9204 0.0923 -0.0789 0.0071 29 TYR A CD2 ? ? 1 +163 C CE1 . TYR A 19 0.1570 0.8968 0.9382 0.1074 -0.0902 0.0033 29 TYR A CE1 ? ? 1 +164 C CE2 . TYR A 19 0.1477 0.8829 0.9300 0.0985 -0.0793 0.0045 29 TYR A CE2 ? ? 1 +165 C CZ . TYR A 19 0.1540 0.8949 0.9393 0.1061 -0.0849 0.0025 29 TYR A CZ ? ? 1 +166 O OH . TYR A 19 0.1574 0.9049 0.9497 0.1127 -0.0854 -0.0004 29 TYR A OH ? ? 1 +167 C C . TYR A 19 0.1231 0.8693 0.9104 0.0776 -0.0801 0.0058 29 TYR A C ? ? 1 +168 O O . TYR A 19 0.1167 0.8593 0.9026 0.0714 -0.0752 0.0072 29 TYR A O ? ? 1 +169 N N . VAL A 20 0.1190 0.8790 0.9186 0.0805 -0.0819 0.0018 30 VAL A N ? ? 1 +170 C CA . VAL A 20 0.1091 0.8802 0.9207 0.0768 -0.0775 -0.0010 30 VAL A CA ? ? 1 +171 C CB . VAL A 20 0.1051 0.8931 0.9308 0.0770 -0.0804 -0.0054 30 VAL A CB ? ? 1 +172 C CG1 . VAL A 20 0.0976 0.8970 0.9359 0.0729 -0.0753 -0.0084 30 VAL A CG1 ? ? 1 +173 C CG2 . VAL A 20 0.1025 0.8915 0.9268 0.0727 -0.0834 -0.0049 30 VAL A CG2 ? ? 1 +174 C C . VAL A 20 0.1115 0.8798 0.9229 0.0815 -0.0749 -0.0014 30 VAL A C ? ? 1 +175 O O . VAL A 20 0.1099 0.8699 0.9159 0.0787 -0.0702 0.0006 30 VAL A O ? ? 1 +176 N N . GLY A 21 0.1145 0.8900 0.9318 0.0888 -0.0783 -0.0041 31 GLY A N ? ? 1 +177 C CA . GLY A 21 0.1172 0.8927 0.9365 0.0938 -0.0761 -0.0053 31 GLY A CA ? ? 1 +178 C C . GLY A 21 0.1083 0.8940 0.9390 0.0896 -0.0704 -0.0079 31 GLY A C ? ? 1 +179 O O . GLY A 21 0.0994 0.8910 0.9356 0.0824 -0.0678 -0.0086 31 GLY A O ? ? 1 +180 N N . TRP A 22 0.1111 0.8976 0.9442 0.0944 -0.0682 -0.0094 32 TRP A N ? ? 1 +181 C CA . TRP A 22 0.1055 0.9022 0.9497 0.0917 -0.0629 -0.0123 32 TRP A CA ? ? 1 +182 C CB . TRP A 22 0.1123 0.9118 0.9601 0.0998 -0.0628 -0.0145 32 TRP A CB ? ? 1 +183 C CG . TRP A 22 0.1169 0.9263 0.9719 0.1070 -0.0691 -0.0173 32 TRP A CG ? ? 1 +184 C CD1 . TRP A 22 0.1269 0.9306 0.9758 0.1158 -0.0739 -0.0167 32 TRP A CD1 ? ? 1 +185 N NE1 . TRP A 22 0.1283 0.9446 0.9867 0.1206 -0.0794 -0.0200 32 TRP A NE1 ? ? 1 +186 C CE2 . TRP A 22 0.1192 0.9500 0.9906 0.1145 -0.0781 -0.0228 32 TRP A CE2 ? ? 1 +187 C CZ2 . TRP A 22 0.1168 0.9641 1.0016 0.1159 -0.0822 -0.0268 32 TRP A CZ2 ? ? 1 +188 C CH2 . TRP A 22 0.1071 0.9660 1.0030 0.1081 -0.0792 -0.0291 32 TRP A CH2 ? ? 1 +189 C CZ3 . TRP A 22 0.1008 0.9550 0.9943 0.0995 -0.0725 -0.0272 32 TRP A CZ3 ? ? 1 +190 C CE3 . TRP A 22 0.1032 0.9414 0.9834 0.0985 -0.0687 -0.0232 32 TRP A CE3 ? ? 1 +191 C CD2 . TRP A 22 0.1121 0.9385 0.9813 0.1059 -0.0715 -0.0210 32 TRP A CD2 ? ? 1 +192 C C . TRP A 22 0.1007 0.8902 0.9400 0.0841 -0.0565 -0.0101 32 TRP A C ? ? 1 +193 O O . TRP A 22 0.0935 0.8912 0.9408 0.0782 -0.0527 -0.0117 32 TRP A O ? ? 1 +194 N N . PHE A 23 0.1051 0.8790 0.9310 0.0841 -0.0556 -0.0065 33 PHE A N ? ? 1 +195 C CA . PHE A 23 0.1008 0.8669 0.9207 0.0767 -0.0508 -0.0041 33 PHE A CA ? ? 1 +196 C CB . PHE A 23 0.1074 0.8562 0.9125 0.0780 -0.0507 -0.0004 33 PHE A CB ? ? 1 +197 C CG . PHE A 23 0.1136 0.8577 0.9164 0.0826 -0.0480 -0.0010 33 PHE A CG ? ? 1 +198 C CD1 . PHE A 23 0.1107 0.8567 0.9166 0.0796 -0.0423 -0.0022 33 PHE A CD1 ? ? 1 +199 C CD2 . PHE A 23 0.1232 0.8607 0.9201 0.0903 -0.0513 -0.0005 33 PHE A CD2 ? ? 1 +200 C CE1 . PHE A 23 0.1169 0.8583 0.9202 0.0839 -0.0399 -0.0029 33 PHE A CE1 ? ? 1 +201 C CE2 . PHE A 23 0.1294 0.8620 0.9238 0.0947 -0.0488 -0.0012 33 PHE A CE2 ? ? 1 +202 C CZ . PHE A 23 0.1261 0.8608 0.9238 0.0914 -0.0431 -0.0024 33 PHE A CZ ? ? 1 +203 C C . PHE A 23 0.0933 0.8631 0.9152 0.0697 -0.0512 -0.0035 33 PHE A C ? ? 1 +204 O O . PHE A 23 0.0870 0.8600 0.9125 0.0633 -0.0469 -0.0039 33 PHE A O ? ? 1 +205 N N . GLY A 24 0.0945 0.8640 0.9142 0.0710 -0.0566 -0.0027 34 GLY A N ? ? 1 +206 C CA . GLY A 24 0.0882 0.8613 0.9098 0.0650 -0.0576 -0.0023 34 GLY A CA ? ? 1 +207 C C . GLY A 24 0.0809 0.8688 0.9161 0.0609 -0.0555 -0.0058 34 GLY A C ? ? 1 +208 O O . GLY A 24 0.0750 0.8640 0.9110 0.0541 -0.0535 -0.0053 34 GLY A O ? ? 1 +209 N N . VAL A 25 0.0820 0.8813 0.9279 0.0653 -0.0560 -0.0094 35 VAL A N ? ? 1 +210 C CA . VAL A 25 0.0759 0.8901 0.9358 0.0617 -0.0538 -0.0131 35 VAL A CA ? ? 1 +211 C CB . VAL A 25 0.0790 0.9049 0.9497 0.0685 -0.0556 -0.0171 35 VAL A CB ? ? 1 +212 C CG1 . VAL A 25 0.0742 0.9131 0.9583 0.0652 -0.0505 -0.0207 35 VAL A CG1 ? ? 1 +213 C CG2 . VAL A 25 0.0810 0.9133 0.9552 0.0724 -0.0628 -0.0185 35 VAL A CG2 ? ? 1 +214 C C . VAL A 25 0.0711 0.8845 0.9320 0.0550 -0.0466 -0.0129 35 VAL A C ? ? 1 +215 O O . VAL A 25 0.0654 0.8861 0.9332 0.0491 -0.0444 -0.0143 35 VAL A O ? ? 1 +216 N N . ILE A 26 0.0741 0.8781 0.9278 0.0562 -0.0430 -0.0111 36 ILE A N ? ? 1 +217 C CA . ILE A 26 0.0709 0.8714 0.9227 0.0503 -0.0366 -0.0103 36 ILE A CA ? ? 1 +218 C CB . ILE A 26 0.0755 0.8711 0.9244 0.0538 -0.0327 -0.0104 36 ILE A CB ? ? 1 +219 C CG1 . ILE A 26 0.0783 0.8850 0.9378 0.0599 -0.0327 -0.0142 36 ILE A CG1 ? ? 1 +220 C CG2 . ILE A 26 0.0725 0.8656 0.9200 0.0478 -0.0263 -0.0099 36 ILE A CG2 ? ? 1 +221 C CD1 . ILE A 26 0.0733 0.8953 0.9471 0.0565 -0.0295 -0.0180 36 ILE A CD1 ? ? 1 +222 C C . ILE A 26 0.0687 0.8578 0.9097 0.0449 -0.0364 -0.0066 36 ILE A C ? ? 1 +223 O O . ILE A 26 0.0640 0.8534 0.9056 0.0384 -0.0327 -0.0062 36 ILE A O ? ? 1 +224 N N . MET A 27 0.0725 0.8516 0.9036 0.0477 -0.0403 -0.0038 37 MET A N ? ? 1 +225 C CA . MET A 27 0.0712 0.8389 0.8917 0.0431 -0.0398 -0.0002 37 MET A CA ? ? 1 +226 C CB . MET A 27 0.0772 0.8340 0.8872 0.0475 -0.0439 0.0026 37 MET A CB ? ? 1 +227 C CG . MET A 27 0.0761 0.8216 0.8756 0.0428 -0.0435 0.0062 37 MET A CG ? ? 1 +228 S SD . MET A 27 0.0836 0.8171 0.8714 0.0474 -0.0482 0.0092 37 MET A SD ? ? 1 +229 C CE . MET A 27 0.0813 0.8221 0.8731 0.0472 -0.0532 0.0085 37 MET A CE ? ? 1 +230 C C . MET A 27 0.0658 0.8374 0.8887 0.0373 -0.0406 0.0000 37 MET A C ? ? 1 +231 O O . MET A 27 0.0624 0.8296 0.8816 0.0315 -0.0375 0.0015 37 MET A O ? ? 1 +232 N N . ILE A 28 0.0664 0.8460 0.8952 0.0390 -0.0450 -0.0017 38 ILE A N ? ? 1 +233 C CA . ILE A 28 0.0630 0.8452 0.8929 0.0342 -0.0467 -0.0015 38 ILE A CA ? ? 1 +234 C CB . ILE A 28 0.0663 0.8555 0.9008 0.0381 -0.0528 -0.0032 38 ILE A CB ? ? 1 +235 C CG1 . ILE A 28 0.0741 0.8534 0.8982 0.0436 -0.0572 -0.0006 38 ILE A CG1 ? ? 1 +236 C CG2 . ILE A 28 0.0617 0.8564 0.9000 0.0329 -0.0542 -0.0040 38 ILE A CG2 ? ? 1 +237 C CD1 . ILE A 28 0.0783 0.8631 0.9052 0.0486 -0.0638 -0.0021 38 ILE A CD1 ? ? 1 +238 C C . ILE A 28 0.0567 0.8458 0.8938 0.0276 -0.0422 -0.0031 38 ILE A C ? ? 1 +239 O O . ILE A 28 0.0540 0.8386 0.8868 0.0222 -0.0406 -0.0014 38 ILE A O ? ? 1 +240 N N . PRO A 29 0.0548 0.8549 0.9030 0.0278 -0.0397 -0.0066 39 PRO A N ? ? 1 +241 C CA . PRO A 29 0.0499 0.8551 0.9038 0.0213 -0.0348 -0.0079 39 PRO A CA ? ? 1 +242 C CB . PRO A 29 0.0501 0.8680 0.9166 0.0235 -0.0329 -0.0120 39 PRO A CB ? ? 1 +243 C CG . PRO A 29 0.0538 0.8760 0.9232 0.0306 -0.0386 -0.0132 39 PRO A CG ? ? 1 +244 C CD . PRO A 29 0.0579 0.8662 0.9138 0.0341 -0.0414 -0.0094 39 PRO A CD ? ? 1 +245 C C . PRO A 29 0.0485 0.8440 0.8944 0.0174 -0.0296 -0.0054 39 PRO A C ? ? 1 +246 O O . PRO A 29 0.0449 0.8395 0.8901 0.0115 -0.0270 -0.0049 39 PRO A O ? ? 1 +247 N N . THR A 30 0.0523 0.8408 0.8924 0.0210 -0.0282 -0.0041 40 THR A N ? ? 1 +248 C CA . THR A 30 0.0531 0.8332 0.8863 0.0179 -0.0233 -0.0023 40 THR A CA ? ? 1 +249 C CB . THR A 30 0.0576 0.8342 0.8886 0.0227 -0.0214 -0.0025 40 THR A CB ? ? 1 +250 O OG1 . THR A 30 0.0615 0.8326 0.8871 0.0282 -0.0259 -0.0012 40 THR A OG1 ? ? 1 +251 C CG2 . THR A 30 0.0583 0.8465 0.9006 0.0247 -0.0186 -0.0063 40 THR A CG2 ? ? 1 +252 C C . THR A 30 0.0532 0.8221 0.8755 0.0148 -0.0246 0.0013 40 THR A C ? ? 1 +253 O O . THR A 30 0.0503 0.8156 0.8694 0.0097 -0.0214 0.0024 40 THR A O ? ? 1 +254 N N . LEU A 31 0.0567 0.8204 0.8734 0.0181 -0.0293 0.0031 41 LEU A N ? ? 1 +255 C CA . LEU A 31 0.0574 0.8118 0.8649 0.0152 -0.0306 0.0062 41 LEU A CA ? ? 1 +256 C CB . LEU A 31 0.0614 0.8098 0.8627 0.0197 -0.0353 0.0081 41 LEU A CB ? ? 1 +257 C CG . LEU A 31 0.0672 0.8074 0.8621 0.0240 -0.0350 0.0093 41 LEU A CG ? ? 1 +258 C CD1 . LEU A 31 0.0717 0.8042 0.8589 0.0272 -0.0393 0.0115 41 LEU A CD1 ? ? 1 +259 C CD2 . LEU A 31 0.0669 0.7994 0.8559 0.0208 -0.0308 0.0107 41 LEU A CD2 ? ? 1 +260 C C . LEU A 31 0.0543 0.8127 0.8646 0.0101 -0.0310 0.0060 41 LEU A C ? ? 1 +261 O O . LEU A 31 0.0523 0.8043 0.8566 0.0060 -0.0297 0.0081 41 LEU A O ? ? 1 +262 N N . LEU A 32 0.0537 0.8227 0.8732 0.0104 -0.0329 0.0033 42 LEU A N ? ? 1 +263 C CA . LEU A 32 0.0511 0.8239 0.8735 0.0055 -0.0333 0.0028 42 LEU A CA ? ? 1 +264 C CB . LEU A 32 0.0511 0.8354 0.8834 0.0068 -0.0365 -0.0003 42 LEU A CB ? ? 1 +265 C CG . LEU A 32 0.0535 0.8368 0.8830 0.0105 -0.0427 0.0003 42 LEU A CG ? ? 1 +266 C CD1 . LEU A 32 0.0535 0.8488 0.8934 0.0117 -0.0459 -0.0032 42 LEU A CD1 ? ? 1 +267 C CD2 . LEU A 32 0.0523 0.8277 0.8734 0.0072 -0.0441 0.0030 42 LEU A CD2 ? ? 1 +268 C C . LEU A 32 0.0496 0.8229 0.8735 0.0000 -0.0277 0.0024 42 LEU A C ? ? 1 +269 O O . LEU A 32 0.0482 0.8169 0.8677 -0.0045 -0.0267 0.0040 42 LEU A O ? ? 1 +270 N N . ALA A 33 0.0506 0.8290 0.8804 0.0006 -0.0240 0.0004 43 ALA A N ? ? 1 +271 C CA . ALA A 33 0.0498 0.8281 0.8804 -0.0044 -0.0184 0.0000 43 ALA A CA ? ? 1 +272 C CB . ALA A 33 0.0512 0.8358 0.8888 -0.0027 -0.0146 -0.0025 43 ALA A CB ? ? 1 +273 C C . ALA A 33 0.0505 0.8168 0.8699 -0.0064 -0.0164 0.0032 43 ALA A C ? ? 1 +274 O O . ALA A 33 0.0489 0.8122 0.8655 -0.0112 -0.0144 0.0041 43 ALA A O ? ? 1 +275 N N . ALA A 34 0.0535 0.8129 0.8666 -0.0026 -0.0172 0.0048 44 ALA A N ? ? 1 +276 C CA . ALA A 34 0.0547 0.8032 0.8577 -0.0041 -0.0156 0.0076 44 ALA A CA ? ? 1 +277 C CB . ALA A 34 0.0581 0.8003 0.8558 0.0006 -0.0169 0.0087 44 ALA A CB ? ? 1 +278 C C . ALA A 34 0.0533 0.7967 0.8508 -0.0071 -0.0180 0.0098 44 ALA A C ? ? 1 +279 O O . ALA A 34 0.0531 0.7914 0.8458 -0.0109 -0.0158 0.0112 44 ALA A O ? ? 1 +280 N N . THR A 35 0.0542 0.7992 0.8524 -0.0051 -0.0226 0.0101 45 THR A N ? ? 1 +281 C CA . THR A 35 0.0531 0.7933 0.8459 -0.0073 -0.0250 0.0122 45 THR A CA ? ? 1 +282 C CB . THR A 35 0.0546 0.7960 0.8476 -0.0036 -0.0301 0.0124 45 THR A CB ? ? 1 +283 O OG1 . THR A 35 0.0580 0.7944 0.8468 0.0010 -0.0312 0.0134 45 THR A OG1 ? ? 1 +284 C CG2 . THR A 35 0.0541 0.7911 0.8418 -0.0057 -0.0325 0.0144 45 THR A CG2 ? ? 1 +285 C C . THR A 35 0.0508 0.7941 0.8462 -0.0124 -0.0236 0.0116 45 THR A C ? ? 1 +286 O O . THR A 35 0.0496 0.7871 0.8393 -0.0155 -0.0227 0.0134 45 THR A O ? ? 1 +287 N N . ILE A 36 0.0502 0.8029 0.8545 -0.0132 -0.0234 0.0088 46 ILE A N ? ? 1 +288 C CA . ILE A 36 0.0484 0.8041 0.8554 -0.0181 -0.0222 0.0080 46 ILE A CA ? ? 1 +289 C CB . ILE A 36 0.0477 0.8148 0.8656 -0.0183 -0.0229 0.0046 46 ILE A CB ? ? 1 +290 C CG1 . ILE A 36 0.0481 0.8181 0.8674 -0.0149 -0.0287 0.0042 46 ILE A CG1 ? ? 1 +291 C CG2 . ILE A 36 0.0461 0.8161 0.8673 -0.0240 -0.0203 0.0033 46 ILE A CG2 ? ? 1 +292 C CD1 . ILE A 36 0.0487 0.8309 0.8795 -0.0135 -0.0303 0.0004 46 ILE A CD1 ? ? 1 +293 C C . ILE A 36 0.0491 0.8005 0.8529 -0.0221 -0.0171 0.0087 46 ILE A C ? ? 1 +294 O O . ILE A 36 0.0486 0.7959 0.8484 -0.0258 -0.0163 0.0099 46 ILE A O ? ? 1 +295 N N . CYS A 37 0.0515 0.8035 0.8567 -0.0210 -0.0136 0.0079 47 CYS A N ? ? 1 +296 C CA . CYS A 37 0.0533 0.8006 0.8545 -0.0242 -0.0087 0.0086 47 CYS A CA ? ? 1 +297 C CB . CYS A 37 0.0556 0.8056 0.8601 -0.0224 -0.0051 0.0070 47 CYS A CB ? ? 1 +298 S SG . CYS A 37 0.0596 0.8041 0.8592 -0.0263 0.0013 0.0075 47 CYS A SG ? ? 1 +299 C C . CYS A 37 0.0546 0.7912 0.8453 -0.0245 -0.0092 0.0117 47 CYS A C ? ? 1 +300 O O . CYS A 37 0.0540 0.7859 0.8401 -0.0279 -0.0069 0.0127 47 CYS A O ? ? 1 +301 N N . PHE A 38 0.0566 0.7892 0.8433 -0.0207 -0.0122 0.0130 48 PHE A N ? ? 1 +302 C CA . PHE A 38 0.0590 0.7823 0.8367 -0.0210 -0.0129 0.0157 48 PHE A CA ? ? 1 +303 C CB . PHE A 38 0.0600 0.7802 0.8348 -0.0167 -0.0160 0.0168 48 PHE A CB ? ? 1 +304 C CG . PHE A 38 0.0603 0.7716 0.8266 -0.0174 -0.0170 0.0193 48 PHE A CG ? ? 1 +305 C CD1 . PHE A 38 0.0622 0.7677 0.8233 -0.0181 -0.0145 0.0200 48 PHE A CD1 ? ? 1 +306 C CD2 . PHE A 38 0.0589 0.7679 0.8225 -0.0173 -0.0203 0.0209 48 PHE A CD2 ? ? 1 +307 C CE1 . PHE A 38 0.0625 0.7605 0.8166 -0.0188 -0.0156 0.0221 48 PHE A CE1 ? ? 1 +308 C CE2 . PHE A 38 0.0595 0.7610 0.8161 -0.0180 -0.0210 0.0230 48 PHE A CE2 ? ? 1 +309 C CZ . PHE A 38 0.0610 0.7573 0.8132 -0.0187 -0.0187 0.0236 48 PHE A CZ ? ? 1 +310 C C . PHE A 38 0.0589 0.7798 0.8336 -0.0240 -0.0145 0.0171 48 PHE A C ? ? 1 +311 O O . PHE A 38 0.0584 0.7741 0.8279 -0.0267 -0.0127 0.0183 48 PHE A O ? ? 1 +312 N N . VAL A 39 0.0597 0.7847 0.8377 -0.0234 -0.0178 0.0166 49 VAL A N ? ? 1 +313 C CA . VAL A 39 0.0586 0.7816 0.8340 -0.0258 -0.0196 0.0177 49 VAL A CA ? ? 1 +314 C CB . VAL A 39 0.0577 0.7855 0.8368 -0.0241 -0.0236 0.0170 49 VAL A CB ? ? 1 +315 C CG1 . VAL A 39 0.0568 0.7833 0.8339 -0.0269 -0.0250 0.0176 49 VAL A CG1 ? ? 1 +316 C CG2 . VAL A 39 0.0589 0.7835 0.8347 -0.0198 -0.0266 0.0183 49 VAL A CG2 ? ? 1 +317 C C . VAL A 39 0.0594 0.7830 0.8356 -0.0303 -0.0165 0.0171 49 VAL A C ? ? 1 +318 O O . VAL A 39 0.0592 0.7772 0.8297 -0.0325 -0.0160 0.0187 49 VAL A O ? ? 1 +319 N N . ILE A 40 0.0588 0.7891 0.8419 -0.0316 -0.0144 0.0147 50 ILE A N ? ? 1 +320 C CA . ILE A 40 0.0599 0.7902 0.8435 -0.0361 -0.0112 0.0140 50 ILE A CA ? ? 1 +321 C CB . ILE A 40 0.0606 0.7998 0.8535 -0.0376 -0.0090 0.0110 50 ILE A CB ? ? 1 +322 C CG1 . ILE A 40 0.0595 0.8058 0.8588 -0.0368 -0.0130 0.0094 50 ILE A CG1 ? ? 1 +323 C CG2 . ILE A 40 0.0617 0.7992 0.8538 -0.0425 -0.0047 0.0106 50 ILE A CG2 ? ? 1 +324 C CD1 . ILE A 40 0.0611 0.8174 0.8707 -0.0375 -0.0116 0.0061 50 ILE A CD1 ? ? 1 +325 C C . ILE A 40 0.0622 0.7852 0.8390 -0.0375 -0.0077 0.0156 50 ILE A C ? ? 1 +326 O O . ILE A 40 0.0623 0.7806 0.8345 -0.0404 -0.0066 0.0166 50 ILE A O ? ? 1 +327 N N . ALA A 41 0.0650 0.7868 0.8408 -0.0353 -0.0059 0.0155 51 ALA A N ? ? 1 +328 C CA . ALA A 41 0.0690 0.7839 0.8382 -0.0362 -0.0027 0.0167 51 ALA A CA ? ? 1 +329 C CB . ALA A 41 0.0707 0.7861 0.8406 -0.0335 -0.0009 0.0160 51 ALA A CB ? ? 1 +330 C C . ALA A 41 0.0701 0.7771 0.8310 -0.0358 -0.0049 0.0193 51 ALA A C ? ? 1 +331 O O . ALA A 41 0.0718 0.7731 0.8270 -0.0379 -0.0031 0.0203 51 ALA A O ? ? 1 +332 N N . PHE A 42 0.0715 0.7780 0.8317 -0.0331 -0.0087 0.0202 52 PHE A N ? ? 1 +333 C CA . PHE A 42 0.0741 0.7739 0.8275 -0.0328 -0.0107 0.0224 52 PHE A CA ? ? 1 +334 C CB . PHE A 42 0.0741 0.7740 0.8276 -0.0298 -0.0144 0.0231 52 PHE A CB ? ? 1 +335 C CG . PHE A 42 0.0770 0.7703 0.8240 -0.0293 -0.0159 0.0252 52 PHE A CG ? ? 1 +336 C CD1 . PHE A 42 0.0804 0.7694 0.8238 -0.0279 -0.0151 0.0256 52 PHE A CD1 ? ? 1 +337 C CD2 . PHE A 42 0.0774 0.7687 0.8219 -0.0303 -0.0179 0.0265 52 PHE A CD2 ? ? 1 +338 C CE1 . PHE A 42 0.0822 0.7655 0.8201 -0.0277 -0.0165 0.0272 52 PHE A CE1 ? ? 1 +339 C CE2 . PHE A 42 0.0790 0.7647 0.8181 -0.0300 -0.0191 0.0282 52 PHE A CE2 ? ? 1 +340 C CZ . PHE A 42 0.0804 0.7624 0.8166 -0.0288 -0.0184 0.0285 52 PHE A CZ ? ? 1 +341 C C . PHE A 42 0.0741 0.7721 0.8252 -0.0357 -0.0110 0.0232 52 PHE A C ? ? 1 +342 O O . PHE A 42 0.0743 0.7665 0.8194 -0.0367 -0.0106 0.0246 52 PHE A O ? ? 1 +343 N N . ILE A 43 0.0743 0.7773 0.8302 -0.0371 -0.0117 0.0220 53 ILE A N ? ? 1 +344 C CA . ILE A 43 0.0740 0.7752 0.8278 -0.0397 -0.0121 0.0226 53 ILE A CA ? ? 1 +345 C CB . ILE A 43 0.0728 0.7797 0.8320 -0.0400 -0.0146 0.0214 53 ILE A CB ? ? 1 +346 C CG1 . ILE A 43 0.0713 0.7791 0.8307 -0.0367 -0.0185 0.0221 53 ILE A CG1 ? ? 1 +347 C CG2 . ILE A 43 0.0742 0.7788 0.8311 -0.0429 -0.0147 0.0217 53 ILE A CG2 ? ? 1 +348 C CD1 . ILE A 43 0.0702 0.7831 0.8340 -0.0364 -0.0213 0.0210 53 ILE A CD1 ? ? 1 +349 C C . ILE A 43 0.0772 0.7759 0.8290 -0.0430 -0.0084 0.0223 53 ILE A C ? ? 1 +350 O O . ILE A 43 0.0792 0.7723 0.8253 -0.0443 -0.0081 0.0236 53 ILE A O ? ? 1 +351 N N . ALA A 44 0.0770 0.7796 0.8334 -0.0441 -0.0053 0.0205 54 ALA A N ? ? 1 +352 C CA . ALA A 44 0.0787 0.7803 0.8346 -0.0477 -0.0016 0.0197 54 ALA A CA ? ? 1 +353 C CB . ALA A 44 0.0775 0.7863 0.8412 -0.0497 -0.0018 0.0176 54 ALA A CB ? ? 1 +354 C C . ALA A 44 0.0820 0.7819 0.8367 -0.0485 0.0030 0.0192 54 ALA A C ? ? 1 +355 O O . ALA A 44 0.0852 0.7835 0.8389 -0.0517 0.0065 0.0187 54 ALA A O ? ? 1 +356 N N . ALA A 45 0.0821 0.7818 0.8362 -0.0457 0.0033 0.0193 55 ALA A N ? ? 1 +357 C CA . ALA A 45 0.0865 0.7854 0.8400 -0.0462 0.0078 0.0185 55 ALA A CA ? ? 1 +358 C CB . ALA A 45 0.0859 0.7864 0.8408 -0.0426 0.0073 0.0181 55 ALA A CB ? ? 1 +359 C C . ALA A 45 0.0917 0.7815 0.8357 -0.0476 0.0100 0.0201 55 ALA A C ? ? 1 +360 O O . ALA A 45 0.0955 0.7797 0.8333 -0.0465 0.0074 0.0219 55 ALA A O ? ? 1 +361 N N . PRO A 46 0.0955 0.7832 0.8378 -0.0501 0.0149 0.0195 56 PRO A N ? ? 1 +362 C CA . PRO A 46 0.1001 0.7785 0.8325 -0.0510 0.0170 0.0210 56 PRO A CA ? ? 1 +363 C CB . PRO A 46 0.1050 0.7835 0.8383 -0.0547 0.0224 0.0198 56 PRO A CB ? ? 1 +364 C CG . PRO A 46 0.1027 0.7908 0.8463 -0.0545 0.0239 0.0175 56 PRO A CG ? ? 1 +365 C CD . PRO A 46 0.0961 0.7904 0.8459 -0.0522 0.0187 0.0172 56 PRO A CD ? ? 1 +366 C C . PRO A 46 0.1018 0.7758 0.8286 -0.0482 0.0171 0.0217 56 PRO A C ? ? 1 +367 O O . PRO A 46 0.0995 0.7775 0.8304 -0.0458 0.0164 0.0208 56 PRO A O ? ? 1 +368 N N A PRO A 47 0.1073 0.7725 0.8244 -0.0481 0.0176 0.0232 57 PRO A N ? ? 1 +369 N N B PRO A 47 0.1065 0.7717 0.8235 -0.0481 0.0176 0.0232 57 PRO A N ? ? 1 +370 C CA A PRO A 47 0.1104 0.7710 0.8217 -0.0454 0.0173 0.0237 57 PRO A CA ? ? 1 +371 C CA B PRO A 47 0.1090 0.7696 0.8203 -0.0454 0.0174 0.0237 57 PRO A CA ? ? 1 +372 C C A PRO A 47 0.1136 0.7762 0.8269 -0.0448 0.0213 0.0222 57 PRO A C ? ? 1 +373 C C B PRO A 47 0.1114 0.7741 0.8248 -0.0448 0.0214 0.0222 57 PRO A C ? ? 1 +374 O O A PRO A 47 0.1182 0.7828 0.8340 -0.0471 0.0257 0.0211 57 PRO A O ? ? 1 +375 O O B PRO A 47 0.1166 0.7812 0.8324 -0.0472 0.0258 0.0211 57 PRO A O ? ? 1 +376 C CB A PRO A 47 0.1162 0.7674 0.8170 -0.0461 0.0180 0.0252 57 PRO A CB ? ? 1 +377 C CB B PRO A 47 0.1147 0.7660 0.8156 -0.0461 0.0179 0.0252 57 PRO A CB ? ? 1 +378 C CG A PRO A 47 0.1141 0.7653 0.8155 -0.0481 0.0163 0.0260 57 PRO A CG ? ? 1 +379 C CG B PRO A 47 0.1127 0.7640 0.8142 -0.0480 0.0162 0.0260 57 PRO A CG ? ? 1 +380 C CD A PRO A 47 0.1107 0.7698 0.8216 -0.0502 0.0179 0.0245 57 PRO A CD ? ? 1 +381 C CD B PRO A 47 0.1097 0.7688 0.8205 -0.0502 0.0179 0.0245 57 PRO A CD ? ? 1 +382 N N A VAL A 48 0.1127 0.7746 0.8248 -0.0418 0.0198 0.0221 58 VAL A N ? ? 1 +383 N N B VAL A 48 0.1095 0.7716 0.8218 -0.0418 0.0198 0.0220 58 VAL A N ? ? 1 +384 C CA A VAL A 48 0.1144 0.7782 0.8283 -0.0404 0.0230 0.0206 58 VAL A CA ? ? 1 +385 C CA B VAL A 48 0.1103 0.7743 0.8244 -0.0404 0.0231 0.0205 58 VAL A CA ? ? 1 +386 C C A VAL A 48 0.1208 0.7761 0.8247 -0.0390 0.0243 0.0211 58 VAL A C ? ? 1 +387 C C B VAL A 48 0.1160 0.7715 0.8202 -0.0390 0.0243 0.0211 58 VAL A C ? ? 1 +388 O O A VAL A 48 0.1208 0.7712 0.8191 -0.0376 0.0207 0.0223 58 VAL A O ? ? 1 +389 O O B VAL A 48 0.1159 0.7666 0.8145 -0.0375 0.0206 0.0222 58 VAL A O ? ? 1 +390 C CB A VAL A 48 0.1086 0.7790 0.8300 -0.0377 0.0201 0.0197 58 VAL A CB ? ? 1 +391 C CB B VAL A 48 0.1042 0.7748 0.8258 -0.0377 0.0202 0.0196 58 VAL A CB ? ? 1 +392 C CG1 A VAL A 48 0.1120 0.7831 0.8340 -0.0355 0.0229 0.0183 58 VAL A CG1 ? ? 1 +393 C CG1 B VAL A 48 0.1074 0.7790 0.8299 -0.0355 0.0229 0.0182 58 VAL A CG1 ? ? 1 +394 C CG2 A VAL A 48 0.1027 0.7818 0.8340 -0.0389 0.0193 0.0188 58 VAL A CG2 ? ? 1 +395 C CG2 B VAL A 48 0.0982 0.7775 0.8296 -0.0388 0.0191 0.0188 58 VAL A CG2 ? ? 1 +396 N N A ASP A 49 0.1258 0.7799 0.8280 -0.0395 0.0294 0.0201 59 ASP A N ? ? 1 +397 N N B ASP A 49 0.1206 0.7747 0.8229 -0.0395 0.0294 0.0201 59 ASP A N ? ? 1 +398 C CA A ASP A 49 0.1328 0.7789 0.8254 -0.0381 0.0311 0.0203 59 ASP A CA ? ? 1 +399 C CA B ASP A 49 0.1270 0.7731 0.8195 -0.0380 0.0309 0.0203 59 ASP A CA ? ? 1 +400 C C A ASP A 49 0.1317 0.7788 0.8253 -0.0347 0.0299 0.0193 59 ASP A C ? ? 1 +401 C C B ASP A 49 0.1254 0.7728 0.8193 -0.0347 0.0298 0.0193 59 ASP A C ? ? 1 +402 O O A ASP A 49 0.1359 0.7833 0.8295 -0.0339 0.0339 0.0180 59 ASP A O ? ? 1 +403 O O B ASP A 49 0.1290 0.7773 0.8237 -0.0339 0.0338 0.0179 59 ASP A O ? ? 1 +404 C CB A ASP A 49 0.1405 0.7844 0.8302 -0.0401 0.0377 0.0196 59 ASP A CB ? ? 1 +405 C CB B ASP A 49 0.1349 0.7780 0.8237 -0.0400 0.0374 0.0198 59 ASP A CB ? ? 1 +406 C CG A ASP A 49 0.1502 0.7847 0.8284 -0.0390 0.0398 0.0200 59 ASP A CG ? ? 1 +407 C CG B ASP A 49 0.1442 0.7773 0.8208 -0.0387 0.0387 0.0204 59 ASP A CG ? ? 1 +408 O OD1 A ASP A 49 0.1518 0.7811 0.8238 -0.0367 0.0358 0.0208 59 ASP A OD1 ? ? 1 +409 O OD1 B ASP A 49 0.1456 0.7724 0.8148 -0.0379 0.0349 0.0218 59 ASP A OD1 ? ? 1 +410 O OD2 A ASP A 49 0.1573 0.7894 0.8325 -0.0403 0.0456 0.0194 59 ASP A OD2 ? ? 1 +411 O OD2 B ASP A 49 0.1504 0.7820 0.8249 -0.0384 0.0435 0.0193 59 ASP A OD2 ? ? 1 +412 N N A ILE A 50 0.1260 0.7733 0.8204 -0.0329 0.0246 0.0200 60 ILE A N ? ? 1 +413 N N B ILE A 50 0.1199 0.7669 0.8139 -0.0328 0.0245 0.0200 60 ILE A N ? ? 1 +414 C CA A ILE A 50 0.1248 0.7734 0.8210 -0.0298 0.0230 0.0191 60 ILE A CA ? ? 1 +415 C CA B ILE A 50 0.1183 0.7665 0.8141 -0.0297 0.0228 0.0191 60 ILE A CA ? ? 1 +416 C C A ILE A 50 0.1327 0.7752 0.8216 -0.0282 0.0259 0.0183 60 ILE A C ? ? 1 +417 C C B ILE A 50 0.1261 0.7684 0.8147 -0.0280 0.0256 0.0183 60 ILE A C ? ? 1 +418 O O A ILE A 50 0.1344 0.7797 0.8266 -0.0263 0.0281 0.0168 60 ILE A O ? ? 1 +419 O O B ILE A 50 0.1276 0.7726 0.8196 -0.0261 0.0275 0.0168 60 ILE A O ? ? 1 +420 C CB A ILE A 50 0.1201 0.7676 0.8159 -0.0285 0.0171 0.0201 60 ILE A CB ? ? 1 +421 C CB B ILE A 50 0.1135 0.7606 0.8089 -0.0285 0.0169 0.0202 60 ILE A CB ? ? 1 +422 C CG1 A ILE A 50 0.1204 0.7677 0.8170 -0.0254 0.0156 0.0192 60 ILE A CG1 ? ? 1 +423 C CG1 B ILE A 50 0.1135 0.7608 0.8101 -0.0254 0.0154 0.0193 60 ILE A CG1 ? ? 1 +424 C CG2 A ILE A 50 0.1230 0.7629 0.8099 -0.0293 0.0149 0.0215 60 ILE A CG2 ? ? 1 +425 C CG2 B ILE A 50 0.1166 0.7560 0.8029 -0.0291 0.0147 0.0215 60 ILE A CG2 ? ? 1 +426 C CD1 A ILE A 50 0.1161 0.7629 0.8133 -0.0245 0.0103 0.0202 60 ILE A CD1 ? ? 1 +427 C CD1 B ILE A 50 0.1090 0.7556 0.8061 -0.0245 0.0100 0.0203 60 ILE A CD1 ? ? 1 +428 N N A ASP A 51 0.1382 0.7723 0.8169 -0.0287 0.0259 0.0191 61 ASP A N ? ? 1 +429 N N B ASP A 51 0.1317 0.7656 0.8101 -0.0285 0.0257 0.0191 61 ASP A N ? ? 1 +430 C CA A ASP A 51 0.1456 0.7729 0.8160 -0.0269 0.0276 0.0184 61 ASP A CA ? ? 1 +431 C CA B ASP A 51 0.1393 0.7664 0.8095 -0.0267 0.0275 0.0184 61 ASP A CA ? ? 1 +432 C C A ASP A 51 0.1530 0.7772 0.8187 -0.0280 0.0338 0.0179 61 ASP A C ? ? 1 +433 C C B ASP A 51 0.1467 0.7707 0.8122 -0.0278 0.0337 0.0178 61 ASP A C ? ? 1 +434 O O A ASP A 51 0.1611 0.7781 0.8178 -0.0267 0.0353 0.0175 61 ASP A O ? ? 1 +435 O O B ASP A 51 0.1545 0.7715 0.8113 -0.0265 0.0354 0.0174 61 ASP A O ? ? 1 +436 C CB A ASP A 51 0.1484 0.7681 0.8099 -0.0262 0.0233 0.0194 61 ASP A CB ? ? 1 +437 C CB B ASP A 51 0.1422 0.7616 0.8034 -0.0260 0.0232 0.0194 61 ASP A CB ? ? 1 +438 C CG A ASP A 51 0.1424 0.7641 0.8077 -0.0248 0.0180 0.0196 61 ASP A CG ? ? 1 +439 C CG B ASP A 51 0.1360 0.7577 0.8012 -0.0248 0.0178 0.0196 61 ASP A CG ? ? 1 +440 O OD1 A ASP A 51 0.1399 0.7656 0.8107 -0.0231 0.0180 0.0185 61 ASP A OD1 ? ? 1 +441 O OD1 B ASP A 51 0.1337 0.7591 0.8042 -0.0230 0.0177 0.0186 61 ASP A OD1 ? ? 1 +442 O OD2 A ASP A 51 0.1410 0.7605 0.8037 -0.0254 0.0139 0.0207 61 ASP A OD2 ? ? 1 +443 O OD2 B ASP A 51 0.1348 0.7544 0.7977 -0.0255 0.0138 0.0208 61 ASP A OD2 ? ? 1 +444 N N A GLY A 52 0.1508 0.7802 0.8225 -0.0304 0.0373 0.0178 62 GLY A N ? ? 1 +445 N N B GLY A 52 0.1446 0.7738 0.8159 -0.0303 0.0372 0.0178 62 GLY A N ? ? 1 +446 C CA A GLY A 52 0.1580 0.7858 0.8271 -0.0318 0.0440 0.0170 62 GLY A CA ? ? 1 +447 C CA B GLY A 52 0.1518 0.7795 0.8207 -0.0317 0.0438 0.0170 62 GLY A CA ? ? 1 +448 C C A GLY A 52 0.1673 0.7846 0.8234 -0.0328 0.0457 0.0182 62 GLY A C ? ? 1 +449 C C B GLY A 52 0.1613 0.7787 0.8175 -0.0328 0.0458 0.0182 62 GLY A C ? ? 1 +450 O O A GLY A 52 0.1761 0.7889 0.8263 -0.0329 0.0509 0.0176 62 GLY A O ? ? 1 +451 O O B GLY A 52 0.1698 0.7832 0.8207 -0.0331 0.0512 0.0176 62 GLY A O ? ? 1 +452 N N A ILE A 53 0.1662 0.7794 0.8177 -0.0334 0.0414 0.0199 63 ILE A N ? ? 1 +453 N N B ILE A 53 0.1607 0.7738 0.8121 -0.0333 0.0413 0.0199 63 ILE A N ? ? 1 +454 C CA A ILE A 53 0.1748 0.7776 0.8136 -0.0337 0.0421 0.0211 63 ILE A CA ? ? 1 +455 C CA B ILE A 53 0.1695 0.7722 0.8081 -0.0337 0.0421 0.0211 63 ILE A CA ? ? 1 +456 C C A ILE A 53 0.1741 0.7762 0.8126 -0.0367 0.0424 0.0225 63 ILE A C ? ? 1 +457 C C B ILE A 53 0.1688 0.7710 0.8073 -0.0366 0.0423 0.0225 63 ILE A C ? ? 1 +458 O O A ILE A 53 0.1798 0.7739 0.8087 -0.0367 0.0411 0.0239 63 ILE A O ? ? 1 +459 O O B ILE A 53 0.1742 0.7685 0.8033 -0.0366 0.0406 0.0239 63 ILE A O ? ? 1 +460 C CB A ILE A 53 0.1764 0.7733 0.8077 -0.0311 0.0365 0.0215 63 ILE A CB ? ? 1 +461 C CB B ILE A 53 0.1711 0.7678 0.8021 -0.0311 0.0366 0.0215 63 ILE A CB ? ? 1 +462 C CG1 A ILE A 53 0.1659 0.7681 0.8043 -0.0308 0.0302 0.0221 63 ILE A CG1 ? ? 1 +463 C CG1 B ILE A 53 0.1609 0.7627 0.7987 -0.0307 0.0302 0.0221 63 ILE A CG1 ? ? 1 +464 C CG2 A ILE A 53 0.1808 0.7755 0.8091 -0.0285 0.0374 0.0200 63 ILE A CG2 ? ? 1 +465 C CG2 B ILE A 53 0.1757 0.7702 0.8037 -0.0284 0.0376 0.0200 63 ILE A CG2 ? ? 1 +466 C CD1 A ILE A 53 0.1674 0.7639 0.7987 -0.0291 0.0247 0.0227 63 ILE A CD1 ? ? 1 +467 C CD1 B ILE A 53 0.1627 0.7586 0.7932 -0.0290 0.0248 0.0227 63 ILE A CD1 ? ? 1 +468 N N A ARG A 54 0.1675 0.7781 0.8168 -0.0389 0.0441 0.0221 64 ARG A N ? ? 1 +469 N N B ARG A 54 0.1633 0.7735 0.8121 -0.0390 0.0444 0.0221 64 ARG A N ? ? 1 +470 C CA A ARG A 54 0.1669 0.7773 0.8168 -0.0421 0.0451 0.0231 64 ARG A CA ? ? 1 +471 C CA B ARG A 54 0.1626 0.7728 0.8122 -0.0420 0.0452 0.0232 64 ARG A CA ? ? 1 +472 C C A ARG A 54 0.1636 0.7712 0.8104 -0.0413 0.0389 0.0247 64 ARG A C ? ? 1 +473 C C B ARG A 54 0.1598 0.7670 0.8061 -0.0412 0.0390 0.0247 64 ARG A C ? ? 1 +474 O O A ARG A 54 0.1687 0.7699 0.8084 -0.0424 0.0390 0.0261 64 ARG A O ? ? 1 +475 O O B ARG A 54 0.1650 0.7658 0.8041 -0.0424 0.0391 0.0261 64 ARG A O ? ? 1 +476 C CB A ARG A 54 0.1782 0.7805 0.8187 -0.0440 0.0511 0.0236 64 ARG A CB ? ? 1 +477 C CB B ARG A 54 0.1736 0.7759 0.8142 -0.0440 0.0512 0.0236 64 ARG A CB ? ? 1 +478 C CG A ARG A 54 0.1832 0.7869 0.8250 -0.0443 0.0575 0.0220 64 ARG A CG ? ? 1 +479 C CG B ARG A 54 0.1785 0.7822 0.8203 -0.0444 0.0576 0.0221 64 ARG A CG ? ? 1 +480 C CD A ARG A 54 0.1749 0.7909 0.8316 -0.0458 0.0594 0.0203 64 ARG A CD ? ? 1 +481 C CD B ARG A 54 0.1703 0.7863 0.8269 -0.0457 0.0594 0.0203 64 ARG A CD ? ? 1 +482 N NE A ARG A 54 0.1796 0.7978 0.8383 -0.0457 0.0655 0.0186 64 ARG A NE ? ? 1 +483 N NE B ARG A 54 0.1751 0.7930 0.8334 -0.0456 0.0656 0.0186 64 ARG A NE ? ? 1 +484 C CZ A ARG A 54 0.1889 0.8028 0.8428 -0.0482 0.0724 0.0184 64 ARG A CZ ? ? 1 +485 C CZ B ARG A 54 0.1841 0.7982 0.8381 -0.0481 0.0725 0.0184 64 ARG A CZ ? ? 1 +486 N NH1 A ARG A 54 0.1947 0.8019 0.8418 -0.0510 0.0741 0.0199 64 ARG A NH1 ? ? 1 +487 N NH1 B ARG A 54 0.1896 0.7976 0.8376 -0.0511 0.0743 0.0198 64 ARG A NH1 ? ? 1 +488 N NH2 A ARG A 54 0.1933 0.8095 0.8491 -0.0477 0.0778 0.0167 64 ARG A NH2 ? ? 1 +489 N NH2 B ARG A 54 0.1889 0.8049 0.8444 -0.0475 0.0779 0.0167 64 ARG A NH2 ? ? 1 +490 N N A GLU A 55 0.1559 0.7681 0.8079 -0.0392 0.0337 0.0245 65 GLU A N ? ? 1 +491 N N B GLU A 55 0.1523 0.7642 0.8039 -0.0392 0.0337 0.0245 65 GLU A N ? ? 1 +492 C CA A GLU A 55 0.1513 0.7624 0.8022 -0.0384 0.0278 0.0257 65 GLU A CA ? ? 1 +493 C CA B GLU A 55 0.1481 0.7589 0.7985 -0.0383 0.0278 0.0257 65 GLU A CA ? ? 1 +494 C C A GLU A 55 0.1403 0.7609 0.8028 -0.0386 0.0247 0.0254 65 GLU A C ? ? 1 +495 C C B GLU A 55 0.1371 0.7574 0.7993 -0.0386 0.0248 0.0253 65 GLU A C ? ? 1 +496 O O A GLU A 55 0.1357 0.7594 0.8018 -0.0366 0.0214 0.0249 65 GLU A O ? ? 1 +497 O O B GLU A 55 0.1327 0.7561 0.7985 -0.0366 0.0216 0.0249 65 GLU A O ? ? 1 +498 C CB A GLU A 55 0.1546 0.7605 0.7985 -0.0354 0.0241 0.0257 65 GLU A CB ? ? 1 +499 C CB B GLU A 55 0.1516 0.7570 0.7949 -0.0354 0.0242 0.0257 65 GLU A CB ? ? 1 +500 C CG A GLU A 55 0.1517 0.7560 0.7936 -0.0347 0.0183 0.0269 65 GLU A CG ? ? 1 +501 C CG B GLU A 55 0.1491 0.7528 0.7902 -0.0346 0.0184 0.0269 65 GLU A CG ? ? 1 +502 C CD A GLU A 55 0.1549 0.7547 0.7908 -0.0321 0.0145 0.0266 65 GLU A CD ? ? 1 +503 C CD B GLU A 55 0.1520 0.7518 0.7879 -0.0320 0.0147 0.0265 65 GLU A CD ? ? 1 +504 O OE1 A GLU A 55 0.1643 0.7570 0.7909 -0.0310 0.0162 0.0264 65 GLU A OE1 ? ? 1 +505 O OE1 B GLU A 55 0.1615 0.7541 0.7880 -0.0309 0.0163 0.0262 65 GLU A OE1 ? ? 1 +506 O OE2 A GLU A 55 0.1489 0.7523 0.7893 -0.0312 0.0099 0.0266 65 GLU A OE2 ? ? 1 +507 O OE2 B GLU A 55 0.1461 0.7499 0.7870 -0.0311 0.0103 0.0264 65 GLU A OE2 ? ? 1 +508 N N A PRO A 56 0.1367 0.7619 0.8053 -0.0412 0.0258 0.0255 66 PRO A N ? ? 1 +509 N N B PRO A 56 0.1338 0.7588 0.8021 -0.0411 0.0259 0.0255 66 PRO A N ? ? 1 +510 C CA A PRO A 56 0.1276 0.7617 0.8070 -0.0414 0.0232 0.0250 66 PRO A CA ? ? 1 +511 C CA B PRO A 56 0.1250 0.7590 0.8043 -0.0413 0.0234 0.0250 66 PRO A CA ? ? 1 +512 C C A PRO A 56 0.1227 0.7572 0.8026 -0.0398 0.0172 0.0260 66 PRO A C ? ? 1 +513 C C B PRO A 56 0.1203 0.7548 0.8002 -0.0397 0.0174 0.0259 66 PRO A C ? ? 1 +514 O O A PRO A 56 0.1244 0.7540 0.7985 -0.0398 0.0150 0.0273 66 PRO A O ? ? 1 +515 O O B PRO A 56 0.1225 0.7517 0.7961 -0.0397 0.0152 0.0272 66 PRO A O ? ? 1 +516 C CB A PRO A 56 0.1267 0.7633 0.8097 -0.0447 0.0257 0.0251 66 PRO A CB ? ? 1 +517 C CB B PRO A 56 0.1241 0.7606 0.8070 -0.0446 0.0259 0.0250 66 PRO A CB ? ? 1 +518 C CG A PRO A 56 0.1364 0.7665 0.8121 -0.0463 0.0312 0.0251 66 PRO A CG ? ? 1 +519 C CG B PRO A 56 0.1338 0.7637 0.8092 -0.0462 0.0313 0.0251 66 PRO A CG ? ? 1 +520 C CD A PRO A 56 0.1423 0.7637 0.8071 -0.0440 0.0298 0.0260 66 PRO A CD ? ? 1 +521 C CD B PRO A 56 0.1393 0.7605 0.8038 -0.0439 0.0298 0.0261 66 PRO A CD ? ? 1 +522 N N A VAL A 57 0.1172 0.7576 0.8040 -0.0382 0.0148 0.0253 67 VAL A N ? ? 1 +523 N N B VAL A 57 0.1149 0.7556 0.8021 -0.0383 0.0150 0.0253 67 VAL A N ? ? 1 +524 C CA A VAL A 57 0.1113 0.7534 0.8004 -0.0371 0.0097 0.0261 67 VAL A CA ? ? 1 +525 C CA B VAL A 57 0.1092 0.7516 0.7986 -0.0372 0.0098 0.0260 67 VAL A CA ? ? 1 +526 C C A VAL A 57 0.1051 0.7541 0.8025 -0.0385 0.0088 0.0261 67 VAL A C ? ? 1 +527 C C B VAL A 57 0.1031 0.7524 0.8007 -0.0385 0.0087 0.0260 67 VAL A C ? ? 1 +528 O O A VAL A 57 0.1033 0.7580 0.8072 -0.0392 0.0110 0.0249 67 VAL A O ? ? 1 +529 O O B VAL A 57 0.1008 0.7560 0.8054 -0.0388 0.0105 0.0249 67 VAL A O ? ? 1 +530 C CB A VAL A 57 0.1099 0.7529 0.8002 -0.0346 0.0076 0.0255 67 VAL A CB ? ? 1 +531 C CB B VAL A 57 0.1079 0.7510 0.7984 -0.0346 0.0079 0.0254 67 VAL A CB ? ? 1 +532 C CG1 A VAL A 57 0.1038 0.7490 0.7973 -0.0337 0.0028 0.0262 67 VAL A CG1 ? ? 1 +533 C CG1 B VAL A 57 0.1017 0.7472 0.7955 -0.0337 0.0031 0.0261 67 VAL A CG1 ? ? 1 +534 C CG2 A VAL A 57 0.1170 0.7528 0.7987 -0.0333 0.0082 0.0253 67 VAL A CG2 ? ? 1 +535 C CG2 B VAL A 57 0.1152 0.7509 0.7968 -0.0333 0.0083 0.0253 67 VAL A CG2 ? ? 1 +536 N N A SER A 58 0.1023 0.7508 0.7991 -0.0389 0.0055 0.0272 68 SER A N ? ? 1 +537 N N B SER A 58 0.1006 0.7490 0.7974 -0.0390 0.0056 0.0272 68 SER A N ? ? 1 +538 C CA A SER A 58 0.0971 0.7511 0.8005 -0.0402 0.0043 0.0273 68 SER A CA ? ? 1 +539 C CA B SER A 58 0.0956 0.7495 0.7989 -0.0402 0.0042 0.0273 68 SER A CA ? ? 1 +540 C C A SER A 58 0.0915 0.7499 0.8000 -0.0383 0.0006 0.0272 68 SER A C ? ? 1 +541 C C B SER A 58 0.0900 0.7483 0.7985 -0.0383 0.0006 0.0273 68 SER A C ? ? 1 +542 O O A SER A 58 0.0916 0.7473 0.7972 -0.0369 -0.0023 0.0281 68 SER A O ? ? 1 +543 O O B SER A 58 0.0903 0.7460 0.7959 -0.0369 -0.0023 0.0281 68 SER A O ? ? 1 +544 C CB A SER A 58 0.0983 0.7488 0.7977 -0.0415 0.0030 0.0285 68 SER A CB ? ? 1 +545 C CB B SER A 58 0.0969 0.7473 0.7962 -0.0415 0.0030 0.0285 68 SER A CB ? ? 1 +546 O OG A SER A 58 0.0935 0.7488 0.7986 -0.0422 0.0009 0.0286 68 SER A OG ? ? 1 +547 O OG B SER A 58 0.0926 0.7477 0.7975 -0.0422 0.0009 0.0286 68 SER A OG ? ? 1 +548 N N A GLY A 59 0.0881 0.7532 0.8043 -0.0383 0.0009 0.0263 69 GLY A N ? ? 1 +549 N N B GLY A 59 0.0867 0.7516 0.8027 -0.0383 0.0009 0.0263 69 GLY A N ? ? 1 +550 C CA A GLY A 59 0.0840 0.7528 0.8046 -0.0363 -0.0021 0.0262 69 GLY A CA ? ? 1 +551 C CA B GLY A 59 0.0824 0.7512 0.8031 -0.0363 -0.0021 0.0262 69 GLY A CA ? ? 1 +552 C C A GLY A 59 0.0798 0.7533 0.8055 -0.0368 -0.0045 0.0264 69 GLY A C ? ? 1 +553 C C B GLY A 59 0.0787 0.7521 0.8044 -0.0368 -0.0045 0.0264 69 GLY A C ? ? 1 +554 O O A GLY A 59 0.0772 0.7522 0.8048 -0.0351 -0.0075 0.0268 69 GLY A O ? ? 1 +555 O O B GLY A 59 0.0759 0.7508 0.8034 -0.0352 -0.0075 0.0268 69 GLY A O ? ? 1 +556 N N . SER A 60 0.0805 0.7557 0.8079 -0.0392 -0.0032 0.0261 70 SER A N ? ? 1 +557 C CA . SER A 60 0.0799 0.7601 0.8126 -0.0398 -0.0051 0.0258 70 SER A CA ? ? 1 +558 C CB . SER A 60 0.0804 0.7655 0.8184 -0.0419 -0.0025 0.0242 70 SER A CB ? ? 1 +559 O OG . SER A 60 0.0842 0.7656 0.8186 -0.0447 0.0000 0.0244 70 SER A OG ? ? 1 +560 C C . SER A 60 0.0835 0.7607 0.8128 -0.0407 -0.0073 0.0272 70 SER A C ? ? 1 +561 O O . SER A 60 0.0877 0.7596 0.8112 -0.0415 -0.0067 0.0281 70 SER A O ? ? 1 +562 N N . LEU A 61 0.0851 0.7659 0.8180 -0.0403 -0.0100 0.0273 71 LEU A N ? ? 1 +563 C CA . LEU A 61 0.0874 0.7659 0.8176 -0.0407 -0.0123 0.0285 71 LEU A CA ? ? 1 +564 C CB . LEU A 61 0.0837 0.7667 0.8183 -0.0398 -0.0150 0.0283 71 LEU A CB ? ? 1 +565 C CG . LEU A 61 0.0817 0.7660 0.8178 -0.0371 -0.0171 0.0286 71 LEU A CG ? ? 1 +566 C CD1 . LEU A 61 0.0794 0.7670 0.8183 -0.0362 -0.0199 0.0286 71 LEU A CD1 ? ? 1 +567 C CD2 . LEU A 61 0.0842 0.7635 0.8153 -0.0361 -0.0180 0.0301 71 LEU A CD2 ? ? 1 +568 C C . LEU A 61 0.0946 0.7706 0.8222 -0.0433 -0.0106 0.0285 71 LEU A C ? ? 1 +569 O O . LEU A 61 0.0946 0.7659 0.8171 -0.0434 -0.0112 0.0297 71 LEU A O ? ? 1 +570 N N . LEU A 62 0.0979 0.7769 0.8291 -0.0453 -0.0083 0.0271 72 LEU A N ? ? 1 +571 C CA . LEU A 62 0.1035 0.7798 0.8323 -0.0480 -0.0065 0.0270 72 LEU A CA ? ? 1 +572 C CB . LEU A 62 0.1097 0.7912 0.8446 -0.0505 -0.0044 0.0250 72 LEU A CB ? ? 1 +573 C CG . LEU A 62 0.1122 0.7993 0.8528 -0.0507 -0.0071 0.0240 72 LEU A CG ? ? 1 +574 C CD1 . LEU A 62 0.1154 0.8083 0.8628 -0.0531 -0.0051 0.0217 72 LEU A CD1 ? ? 1 +575 C CD2 . LEU A 62 0.1137 0.7969 0.8502 -0.0515 -0.0089 0.0250 72 LEU A CD2 ? ? 1 +576 C C . LEU A 62 0.1049 0.7745 0.8268 -0.0486 -0.0039 0.0278 72 LEU A C ? ? 1 +577 O O . LEU A 62 0.1081 0.7732 0.8257 -0.0503 -0.0029 0.0283 72 LEU A O ? ? 1 +578 N N . TYR A 63 0.1048 0.7732 0.8253 -0.0472 -0.0027 0.0279 73 TYR A N ? ? 1 +579 C CA . TYR A 63 0.1102 0.7718 0.8234 -0.0473 -0.0006 0.0286 73 TYR A CA ? ? 1 +580 C CB . TYR A 63 0.1141 0.7765 0.8282 -0.0476 0.0029 0.0275 73 TYR A CB ? ? 1 +581 C CG . TYR A 63 0.1202 0.7853 0.8381 -0.0506 0.0065 0.0261 73 TYR A CG ? ? 1 +582 C CD1 . TYR A 63 0.1190 0.7919 0.8455 -0.0514 0.0060 0.0247 73 TYR A CD1 ? ? 1 +583 C CD2 . TYR A 63 0.1285 0.7883 0.8412 -0.0526 0.0106 0.0262 73 TYR A CD2 ? ? 1 +584 C CE1 . TYR A 63 0.1232 0.7993 0.8540 -0.0544 0.0093 0.0231 73 TYR A CE1 ? ? 1 +585 C CE2 . TYR A 63 0.1338 0.7960 0.8502 -0.0558 0.0143 0.0248 73 TYR A CE2 ? ? 1 +586 C CZ . TYR A 63 0.1317 0.8025 0.8576 -0.0568 0.0137 0.0232 73 TYR A CZ ? ? 1 +587 O OH . TYR A 63 0.1422 0.8158 0.8723 -0.0602 0.0174 0.0215 73 TYR A OH ? ? 1 +588 C C . TYR A 63 0.1085 0.7661 0.8166 -0.0450 -0.0033 0.0300 73 TYR A C ? ? 1 +589 O O . TYR A 63 0.1115 0.7650 0.8148 -0.0440 -0.0024 0.0303 73 TYR A O ? ? 1 +590 N N . GLY A 64 0.1042 0.7631 0.8134 -0.0440 -0.0067 0.0307 74 GLY A N ? ? 1 +591 C CA . GLY A 64 0.1048 0.7598 0.8093 -0.0424 -0.0091 0.0319 74 GLY A CA ? ? 1 +592 C C . GLY A 64 0.1018 0.7586 0.8081 -0.0403 -0.0112 0.0320 74 GLY A C ? ? 1 +593 O O . GLY A 64 0.1092 0.7627 0.8116 -0.0391 -0.0125 0.0326 74 GLY A O ? ? 1 +594 N N . ASN A 65 0.0938 0.7557 0.8059 -0.0399 -0.0118 0.0314 75 ASN A N ? ? 1 +595 C CA . ASN A 65 0.0886 0.7517 0.8022 -0.0380 -0.0138 0.0316 75 ASN A CA ? ? 1 +596 C CB . ASN A 65 0.0912 0.7569 0.8080 -0.0373 -0.0123 0.0305 75 ASN A CB ? ? 1 +597 C CG . ASN A 65 0.0968 0.7587 0.8095 -0.0371 -0.0102 0.0301 75 ASN A CG ? ? 1 +598 O OD1 . ASN A 65 0.1026 0.7615 0.8121 -0.0359 -0.0112 0.0304 75 ASN A OD1 ? ? 1 +599 N ND2 . ASN A 65 0.0994 0.7611 0.8117 -0.0384 -0.0070 0.0294 75 ASN A ND2 ? ? 1 +600 C C . ASN A 65 0.0803 0.7464 0.7971 -0.0376 -0.0163 0.0321 75 ASN A C ? ? 1 +601 O O . ASN A 65 0.0789 0.7473 0.7980 -0.0386 -0.0164 0.0320 75 ASN A O ? ? 1 +602 N N . ASN A 66 0.0734 0.7389 0.7900 -0.0362 -0.0183 0.0327 76 ASN A N ? ? 1 +603 C CA . ASN A 66 0.0661 0.7340 0.7854 -0.0355 -0.0204 0.0332 76 ASN A CA ? ? 1 +604 C CB . ASN A 66 0.0660 0.7314 0.7826 -0.0353 -0.0221 0.0343 76 ASN A CB ? ? 1 +605 C CG . ASN A 66 0.0680 0.7306 0.7822 -0.0346 -0.0225 0.0344 76 ASN A CG ? ? 1 +606 O OD1 . ASN A 66 0.0685 0.7310 0.7835 -0.0337 -0.0223 0.0340 76 ASN A OD1 ? ? 1 +607 N ND2 . ASN A 66 0.0701 0.7304 0.7814 -0.0348 -0.0233 0.0349 76 ASN A ND2 ? ? 1 +608 C C . ASN A 66 0.0608 0.7305 0.7828 -0.0339 -0.0206 0.0328 76 ASN A C ? ? 1 +609 O O . ASN A 66 0.0603 0.7296 0.7823 -0.0335 -0.0192 0.0319 76 ASN A O ? ? 1 +610 N N . ILE A 67 0.0567 0.7276 0.7802 -0.0329 -0.0225 0.0333 77 ILE A N ? ? 1 +611 C CA . ILE A 67 0.0559 0.7277 0.7813 -0.0311 -0.0231 0.0331 77 ILE A CA ? ? 1 +612 C CB . ILE A 67 0.0552 0.7275 0.7812 -0.0303 -0.0252 0.0340 77 ILE A CB ? ? 1 +613 C CG1 . ILE A 67 0.0537 0.7295 0.7821 -0.0307 -0.0258 0.0337 77 ILE A CG1 ? ? 1 +614 C CG2 . ILE A 67 0.0576 0.7293 0.7841 -0.0282 -0.0259 0.0340 77 ILE A CG2 ? ? 1 +615 C CD1 . ILE A 67 0.0542 0.7339 0.7863 -0.0301 -0.0254 0.0324 77 ILE A CD1 ? ? 1 +616 C C . ILE A 67 0.0562 0.7247 0.7794 -0.0303 -0.0227 0.0330 77 ILE A C ? ? 1 +617 O O . ILE A 67 0.0576 0.7267 0.7821 -0.0289 -0.0221 0.0322 77 ILE A O ? ? 1 +618 N N . ILE A 68 0.0546 0.7197 0.7744 -0.0311 -0.0230 0.0336 78 ILE A N ? ? 1 +619 C CA . ILE A 68 0.0551 0.7167 0.7724 -0.0306 -0.0230 0.0334 78 ILE A CA ? ? 1 +620 C CB . ILE A 68 0.0547 0.7138 0.7697 -0.0315 -0.0244 0.0341 78 ILE A CB ? ? 1 +621 C CG1 . ILE A 68 0.0533 0.7133 0.7696 -0.0315 -0.0257 0.0352 78 ILE A CG1 ? ? 1 +622 C CG2 . ILE A 68 0.0569 0.7124 0.7694 -0.0313 -0.0245 0.0336 78 ILE A CG2 ? ? 1 +623 C CD1 . ILE A 68 0.0547 0.7141 0.7719 -0.0303 -0.0262 0.0354 78 ILE A CD1 ? ? 1 +624 C C . ILE A 68 0.0565 0.7167 0.7720 -0.0307 -0.0212 0.0324 78 ILE A C ? ? 1 +625 O O . ILE A 68 0.0585 0.7168 0.7730 -0.0297 -0.0207 0.0317 78 ILE A O ? ? 1 +626 N N A THR A 69 0.0563 0.7169 0.7708 -0.0319 -0.0200 0.0322 79 THR A N ? ? 1 +627 N N B THR A 69 0.0563 0.7168 0.7707 -0.0319 -0.0200 0.0322 79 THR A N ? ? 1 +628 C CA A THR A 69 0.0595 0.7179 0.7711 -0.0321 -0.0180 0.0314 79 THR A CA ? ? 1 +629 C CA B THR A 69 0.0595 0.7178 0.7710 -0.0321 -0.0181 0.0314 79 THR A CA ? ? 1 +630 C C A THR A 69 0.0599 0.7212 0.7744 -0.0319 -0.0157 0.0304 79 THR A C ? ? 1 +631 C C B THR A 69 0.0601 0.7213 0.7745 -0.0320 -0.0157 0.0305 79 THR A C ? ? 1 +632 O O A THR A 69 0.0637 0.7235 0.7765 -0.0316 -0.0137 0.0296 79 THR A O ? ? 1 +633 O O B THR A 69 0.0640 0.7236 0.7766 -0.0316 -0.0137 0.0296 79 THR A O ? ? 1 +634 C CB A THR A 69 0.0605 0.7166 0.7684 -0.0334 -0.0179 0.0319 79 THR A CB ? ? 1 +635 C CB B THR A 69 0.0606 0.7167 0.7685 -0.0334 -0.0179 0.0319 79 THR A CB ? ? 1 +636 O OG1 A THR A 69 0.0585 0.7172 0.7685 -0.0345 -0.0170 0.0321 79 THR A OG1 ? ? 1 +637 O OG1 B THR A 69 0.0585 0.7171 0.7684 -0.0345 -0.0170 0.0321 79 THR A OG1 ? ? 1 +638 C CG2 A THR A 69 0.0598 0.7141 0.7658 -0.0334 -0.0204 0.0326 79 THR A CG2 ? ? 1 +639 C CG2 B THR A 69 0.0598 0.7140 0.7658 -0.0334 -0.0204 0.0327 79 THR A CG2 ? ? 1 +640 N N A GLY A 70 0.0566 0.7224 0.7756 -0.0322 -0.0159 0.0304 80 GLY A N ? ? 1 +641 N N B GLY A 70 0.0567 0.7223 0.7756 -0.0322 -0.0159 0.0304 80 GLY A N ? ? 1 +642 C CA A GLY A 70 0.0567 0.7263 0.7796 -0.0323 -0.0138 0.0292 80 GLY A CA ? ? 1 +643 C CA B GLY A 70 0.0569 0.7264 0.7797 -0.0323 -0.0138 0.0292 80 GLY A CA ? ? 1 +644 C C A GLY A 70 0.0583 0.7288 0.7829 -0.0303 -0.0130 0.0282 80 GLY A C ? ? 1 +645 C C B GLY A 70 0.0581 0.7286 0.7827 -0.0303 -0.0130 0.0282 80 GLY A C ? ? 1 +646 O O A GLY A 70 0.0589 0.7279 0.7829 -0.0286 -0.0147 0.0286 80 GLY A O ? ? 1 +647 O O B GLY A 70 0.0591 0.7281 0.7831 -0.0286 -0.0147 0.0286 80 GLY A O ? ? 1 +648 N N A ALA A 71 0.0599 0.7326 0.7865 -0.0306 -0.0101 0.0270 81 ALA A N ? ? 1 +649 N N B ALA A 71 0.0597 0.7326 0.7865 -0.0305 -0.0102 0.0270 81 ALA A N ? ? 1 +650 C CA A ALA A 71 0.0614 0.7359 0.7904 -0.0285 -0.0089 0.0257 81 ALA A CA ? ? 1 +651 C CA B ALA A 71 0.0610 0.7357 0.7902 -0.0284 -0.0090 0.0257 81 ALA A CA ? ? 1 +652 C C A ALA A 71 0.0618 0.7411 0.7953 -0.0293 -0.0058 0.0242 81 ALA A C ? ? 1 +653 C C B ALA A 71 0.0609 0.7407 0.7950 -0.0291 -0.0061 0.0242 81 ALA A C ? ? 1 +654 O O A ALA A 71 0.0626 0.7414 0.7949 -0.0317 -0.0037 0.0242 81 ALA A O ? ? 1 +655 O O B ALA A 71 0.0610 0.7413 0.7950 -0.0316 -0.0044 0.0241 81 ALA A O ? ? 1 +656 C CB A ALA A 71 0.0656 0.7345 0.7892 -0.0276 -0.0081 0.0257 81 ALA A CB ? ? 1 +657 C CB B ALA A 71 0.0652 0.7344 0.7891 -0.0276 -0.0080 0.0256 81 ALA A CB ? ? 1 +658 N N A VAL A 72 0.0617 0.7453 0.8001 -0.0272 -0.0054 0.0229 82 VAL A N ? ? 1 +659 N N B VAL A 72 0.0611 0.7447 0.7996 -0.0270 -0.0055 0.0229 82 VAL A N ? ? 1 +660 C CA A VAL A 72 0.0636 0.7512 0.8059 -0.0276 -0.0018 0.0212 82 VAL A CA ? ? 1 +661 C CA B VAL A 72 0.0631 0.7507 0.8054 -0.0274 -0.0019 0.0212 82 VAL A CA ? ? 1 +662 C C A VAL A 72 0.0685 0.7510 0.8056 -0.0266 0.0007 0.0209 82 VAL A C ? ? 1 +663 C C B VAL A 72 0.0679 0.7503 0.8049 -0.0265 0.0006 0.0209 82 VAL A C ? ? 1 +664 O O A VAL A 72 0.0700 0.7499 0.8051 -0.0241 -0.0006 0.0210 82 VAL A O ? ? 1 +665 O O B VAL A 72 0.0694 0.7494 0.8046 -0.0239 -0.0006 0.0209 82 VAL A O ? ? 1 +666 C CB A VAL A 72 0.0620 0.7570 0.8122 -0.0255 -0.0024 0.0196 82 VAL A CB ? ? 1 +667 C CB B VAL A 72 0.0614 0.7565 0.8117 -0.0253 -0.0025 0.0196 82 VAL A CB ? ? 1 +668 C CG1 A VAL A 72 0.0640 0.7637 0.8188 -0.0260 0.0017 0.0176 82 VAL A CG1 ? ? 1 +669 C CG1 B VAL A 72 0.0635 0.7631 0.8182 -0.0258 0.0017 0.0176 82 VAL A CG1 ? ? 1 +670 C CG2 A VAL A 72 0.0579 0.7574 0.8124 -0.0262 -0.0053 0.0199 82 VAL A CG2 ? ? 1 +671 C CG2 B VAL A 72 0.0573 0.7570 0.8120 -0.0262 -0.0053 0.0198 82 VAL A CG2 ? ? 1 +672 N N A VAL A 73 0.0716 0.7521 0.8059 -0.0288 0.0042 0.0206 83 VAL A N ? ? 1 +673 N N B VAL A 73 0.0711 0.7512 0.8051 -0.0287 0.0040 0.0207 83 VAL A N ? ? 1 +674 C CA A VAL A 73 0.0770 0.7512 0.8045 -0.0283 0.0064 0.0206 83 VAL A CA ? ? 1 +675 C CA B VAL A 73 0.0766 0.7506 0.8039 -0.0282 0.0063 0.0206 83 VAL A CA ? ? 1 +676 C C A VAL A 73 0.0806 0.7572 0.8107 -0.0266 0.0099 0.0188 83 VAL A C ? ? 1 +677 C C B VAL A 73 0.0798 0.7565 0.8101 -0.0264 0.0095 0.0188 83 VAL A C ? ? 1 +678 O O A VAL A 73 0.0810 0.7632 0.8166 -0.0276 0.0128 0.0174 83 VAL A O ? ? 1 +679 O O B VAL A 73 0.0798 0.7629 0.8165 -0.0271 0.0120 0.0174 83 VAL A O ? ? 1 +680 C CB A VAL A 73 0.0802 0.7498 0.8019 -0.0312 0.0085 0.0213 83 VAL A CB ? ? 1 +681 C CB B VAL A 73 0.0800 0.7497 0.8018 -0.0311 0.0086 0.0213 83 VAL A CB ? ? 1 +682 C CG1 A VAL A 73 0.0868 0.7495 0.8007 -0.0305 0.0107 0.0212 83 VAL A CG1 ? ? 1 +683 C CG1 B VAL A 73 0.0867 0.7496 0.8008 -0.0305 0.0109 0.0212 83 VAL A CG1 ? ? 1 +684 C CG2 A VAL A 73 0.0773 0.7444 0.7963 -0.0324 0.0051 0.0230 83 VAL A CG2 ? ? 1 +685 C CG2 B VAL A 73 0.0772 0.7443 0.7962 -0.0325 0.0053 0.0230 83 VAL A CG2 ? ? 1 +686 N N A PRO A 74 0.0835 0.7560 0.8097 -0.0240 0.0097 0.0185 84 PRO A N ? ? 1 +687 N N B PRO A 74 0.0830 0.7552 0.8089 -0.0240 0.0096 0.0186 84 PRO A N ? ? 1 +688 C CA A PRO A 74 0.0869 0.7610 0.8148 -0.0221 0.0131 0.0167 84 PRO A CA ? ? 1 +689 C CA B PRO A 74 0.0862 0.7602 0.8139 -0.0221 0.0130 0.0168 84 PRO A CA ? ? 1 +690 C C A PRO A 74 0.0902 0.7650 0.8177 -0.0243 0.0183 0.0159 84 PRO A C ? ? 1 +691 C C B PRO A 74 0.0892 0.7639 0.8166 -0.0242 0.0183 0.0159 84 PRO A C ? ? 1 +692 O O A PRO A 74 0.0922 0.7627 0.8144 -0.0269 0.0194 0.0168 84 PRO A O ? ? 1 +693 O O B PRO A 74 0.0913 0.7618 0.8135 -0.0269 0.0194 0.0168 84 PRO A O ? ? 1 +694 C CB A PRO A 74 0.0915 0.7580 0.8118 -0.0200 0.0120 0.0170 84 PRO A CB ? ? 1 +695 C CB B PRO A 74 0.0908 0.7572 0.8110 -0.0199 0.0120 0.0171 84 PRO A CB ? ? 1 +696 C CG A PRO A 74 0.0880 0.7522 0.8069 -0.0199 0.0071 0.0186 84 PRO A CG ? ? 1 +697 C CG B PRO A 74 0.0873 0.7511 0.8058 -0.0199 0.0071 0.0186 84 PRO A CG ? ? 1 +698 C CD A PRO A 74 0.0839 0.7502 0.8043 -0.0229 0.0061 0.0197 84 PRO A CD ? ? 1 +699 C CD B PRO A 74 0.0836 0.7493 0.8032 -0.0230 0.0063 0.0198 84 PRO A CD ? ? 1 +700 N N A SER A 75 0.0909 0.7710 0.8239 -0.0230 0.0217 0.0139 85 SER A N ? ? 1 +701 N N B SER A 75 0.0898 0.7697 0.8227 -0.0229 0.0216 0.0140 85 SER A N ? ? 1 +702 C CA A SER A 75 0.0942 0.7756 0.8278 -0.0251 0.0273 0.0128 85 SER A CA ? ? 1 +703 C CA B SER A 75 0.0929 0.7743 0.8265 -0.0251 0.0272 0.0129 85 SER A CA ? ? 1 +704 C C A SER A 75 0.1011 0.7732 0.8240 -0.0254 0.0301 0.0133 85 SER A C ? ? 1 +705 C C B SER A 75 0.0998 0.7721 0.8228 -0.0253 0.0300 0.0133 85 SER A C ? ? 1 +706 O O A SER A 75 0.1035 0.7694 0.8200 -0.0232 0.0278 0.0139 85 SER A O ? ? 1 +707 O O B SER A 75 0.1024 0.7685 0.8191 -0.0231 0.0279 0.0138 85 SER A O ? ? 1 +708 C CB A SER A 75 0.0942 0.7840 0.8367 -0.0233 0.0301 0.0105 85 SER A CB ? ? 1 +709 C CB B SER A 75 0.0927 0.7827 0.8355 -0.0233 0.0300 0.0105 85 SER A CB ? ? 1 +710 O OG A SER A 75 0.0972 0.7850 0.8381 -0.0193 0.0299 0.0097 85 SER A OG ? ? 1 +711 O OG B SER A 75 0.0953 0.7838 0.8370 -0.0192 0.0296 0.0097 85 SER A OG ? ? 1 +712 N N A SER A 76 0.1048 0.7759 0.8257 -0.0281 0.0350 0.0130 86 SER A N ? ? 1 +713 N N B SER A 76 0.1034 0.7745 0.8244 -0.0281 0.0349 0.0130 86 SER A N ? ? 1 +714 C CA A SER A 76 0.1122 0.7740 0.8222 -0.0288 0.0379 0.0136 86 SER A CA ? ? 1 +715 C CA B SER A 76 0.1108 0.7727 0.8209 -0.0287 0.0378 0.0136 86 SER A CA ? ? 1 +716 C C A SER A 76 0.1178 0.7760 0.8234 -0.0258 0.0400 0.0125 86 SER A C ? ? 1 +717 C C B SER A 76 0.1160 0.7743 0.8219 -0.0255 0.0396 0.0125 86 SER A C ? ? 1 +718 O O A SER A 76 0.1185 0.7822 0.8301 -0.0243 0.0432 0.0107 86 SER A O ? ? 1 +719 O O B SER A 76 0.1156 0.7799 0.8282 -0.0235 0.0416 0.0107 86 SER A O ? ? 1 +720 C CB A SER A 76 0.1160 0.7782 0.8259 -0.0324 0.0434 0.0134 86 SER A CB ? ? 1 +721 C CB B SER A 76 0.1148 0.7770 0.8246 -0.0322 0.0435 0.0133 86 SER A CB ? ? 1 +722 O OG A SER A 76 0.1250 0.7780 0.8238 -0.0328 0.0469 0.0138 86 SER A OG ? ? 1 +723 O OG B SER A 76 0.1237 0.7766 0.8224 -0.0327 0.0469 0.0138 86 SER A OG ? ? 1 +724 N N A ASN A 77 0.1219 0.7706 0.8168 -0.0248 0.0383 0.0135 87 ASN A N ? ? 1 +725 N N B ASN A 77 0.1206 0.7692 0.8154 -0.0249 0.0386 0.0134 87 ASN A N ? ? 1 +726 C CA A ASN A 77 0.1282 0.7716 0.8170 -0.0221 0.0401 0.0125 87 ASN A CA ? ? 1 +727 C CA B ASN A 77 0.1269 0.7704 0.8157 -0.0221 0.0405 0.0124 87 ASN A CA ? ? 1 +728 C C A ASN A 77 0.1346 0.7789 0.8232 -0.0226 0.0472 0.0110 87 ASN A C ? ? 1 +729 C C B ASN A 77 0.1332 0.7773 0.8216 -0.0227 0.0476 0.0110 87 ASN A C ? ? 1 +730 O O A ASN A 77 0.1392 0.7821 0.8261 -0.0200 0.0496 0.0096 87 ASN A O ? ? 1 +731 O O B ASN A 77 0.1377 0.7806 0.8246 -0.0201 0.0500 0.0095 87 ASN A O ? ? 1 +732 C CB A ASN A 77 0.1330 0.7657 0.8094 -0.0218 0.0376 0.0137 87 ASN A CB ? ? 1 +733 C CB B ASN A 77 0.1315 0.7642 0.8079 -0.0218 0.0379 0.0136 87 ASN A CB ? ? 1 +734 C CG A ASN A 77 0.1400 0.7667 0.8095 -0.0189 0.0388 0.0125 87 ASN A CG ? ? 1 +735 C CG B ASN A 77 0.1378 0.7647 0.8076 -0.0188 0.0385 0.0125 87 ASN A CG ? ? 1 +736 O OD1 A ASN A 77 0.1382 0.7666 0.8108 -0.0162 0.0370 0.0116 87 ASN A OD1 ? ? 1 +737 O OD1 B ASN A 77 0.1356 0.7650 0.8095 -0.0161 0.0368 0.0115 87 ASN A OD1 ? ? 1 +738 N ND2 A ASN A 77 0.1488 0.7675 0.8080 -0.0194 0.0417 0.0126 87 ASN A ND2 ? ? 1 +739 N ND2 B ASN A 77 0.1466 0.7650 0.8056 -0.0189 0.0409 0.0125 87 ASN A ND2 ? ? 1 +740 N N A ALA A 78 0.1353 0.7813 0.8253 -0.0261 0.0507 0.0114 88 ALA A N ? ? 1 +741 N N B ALA A 78 0.1340 0.7795 0.8234 -0.0261 0.0511 0.0114 88 ALA A N ? ? 1 +742 C CA A ALA A 78 0.1420 0.7887 0.8319 -0.0273 0.0579 0.0101 88 ALA A CA ? ? 1 +743 C CA B ALA A 78 0.1404 0.7869 0.8300 -0.0273 0.0584 0.0101 88 ALA A CA ? ? 1 +744 C C A ALA A 78 0.1386 0.7958 0.8405 -0.0257 0.0602 0.0079 88 ALA A C ? ? 1 +745 C C B ALA A 78 0.1369 0.7942 0.8389 -0.0258 0.0607 0.0078 88 ALA A C ? ? 1 +746 O O A ALA A 78 0.1447 0.8024 0.8464 -0.0247 0.0656 0.0063 88 ALA A O ? ? 1 +747 O O B ALA A 78 0.1428 0.8009 0.8449 -0.0253 0.0664 0.0063 88 ALA A O ? ? 1 +748 C CB A ALA A 78 0.1432 0.7896 0.8326 -0.0317 0.0609 0.0110 88 ALA A CB ? ? 1 +749 C CB B ALA A 78 0.1416 0.7876 0.8305 -0.0317 0.0613 0.0110 88 ALA A CB ? ? 1 +750 N N A ILE A 79 0.1297 0.7953 0.8418 -0.0251 0.0560 0.0077 89 ILE A N ? ? 1 +751 N N B ILE A 79 0.1279 0.7934 0.8399 -0.0251 0.0563 0.0076 89 ILE A N ? ? 1 +752 C CA A ILE A 79 0.1260 0.8023 0.8502 -0.0232 0.0570 0.0055 89 ILE A CA ? ? 1 +753 C CA B ILE A 79 0.1243 0.8004 0.8483 -0.0231 0.0571 0.0055 89 ILE A CA ? ? 1 +754 C C A ILE A 79 0.1275 0.8028 0.8510 -0.0183 0.0551 0.0046 89 ILE A C ? ? 1 +755 C C B ILE A 79 0.1261 0.8009 0.8490 -0.0181 0.0554 0.0045 89 ILE A C ? ? 1 +756 O O A ILE A 79 0.1272 0.8095 0.8584 -0.0159 0.0573 0.0025 89 ILE A O ? ? 1 +757 O O B ILE A 79 0.1266 0.8077 0.8563 -0.0158 0.0582 0.0024 89 ILE A O ? ? 1 +758 C CB A ILE A 79 0.1165 0.8013 0.8508 -0.0245 0.0527 0.0058 89 ILE A CB ? ? 1 +759 C CB B ILE A 79 0.1148 0.7993 0.8488 -0.0242 0.0528 0.0057 89 ILE A CB ? ? 1 +760 C CG1 A ILE A 79 0.1160 0.8036 0.8532 -0.0294 0.0558 0.0060 89 ILE A CG1 ? ? 1 +761 C CG1 B ILE A 79 0.1141 0.8018 0.8514 -0.0291 0.0557 0.0059 89 ILE A CG1 ? ? 1 +762 C CG2 A ILE A 79 0.1122 0.8072 0.8580 -0.0213 0.0517 0.0037 89 ILE A CG2 ? ? 1 +763 C CG2 B ILE A 79 0.1105 0.8053 0.8561 -0.0210 0.0517 0.0037 89 ILE A CG2 ? ? 1 +764 C CD1 A ILE A 79 0.1075 0.8015 0.8525 -0.0309 0.0511 0.0064 89 ILE A CD1 ? ? 1 +765 C CD1 B ILE A 79 0.1057 0.7994 0.8503 -0.0307 0.0509 0.0065 89 ILE A CD1 ? ? 1 +766 N N A GLY A 80 0.1293 0.7958 0.8437 -0.0167 0.0509 0.0060 90 GLY A N ? ? 1 +767 N N B GLY A 80 0.1271 0.7937 0.8416 -0.0166 0.0507 0.0060 90 GLY A N ? ? 1 +768 C CA A GLY A 80 0.1314 0.7954 0.8439 -0.0123 0.0485 0.0053 90 GLY A CA ? ? 1 +769 C CA B GLY A 80 0.1294 0.7934 0.8419 -0.0122 0.0485 0.0053 90 GLY A CA ? ? 1 +770 C C A GLY A 80 0.1255 0.7987 0.8492 -0.0097 0.0457 0.0043 90 GLY A C ? ? 1 +771 C C B GLY A 80 0.1236 0.7968 0.8473 -0.0095 0.0457 0.0042 90 GLY A C ? ? 1 +772 O O A GLY A 80 0.1187 0.7952 0.8467 -0.0104 0.0411 0.0054 90 GLY A O ? ? 1 +773 O O B GLY A 80 0.1168 0.7934 0.8450 -0.0102 0.0412 0.0053 90 GLY A O ? ? 1 +774 N N A LEU A 81 0.1290 0.8061 0.8570 -0.0063 0.0486 0.0021 91 LEU A N ? ? 1 +775 N N B LEU A 81 0.1273 0.8042 0.8551 -0.0061 0.0486 0.0021 91 LEU A N ? ? 1 +776 C CA A LEU A 81 0.1248 0.8104 0.8629 -0.0030 0.0462 0.0009 91 LEU A CA ? ? 1 +777 C CA B LEU A 81 0.1232 0.8086 0.8612 -0.0028 0.0463 0.0008 91 LEU A CA ? ? 1 +778 C C A LEU A 81 0.1229 0.8205 0.8731 -0.0036 0.0503 -0.0012 91 LEU A C ? ? 1 +779 C C B LEU A 81 0.1213 0.8188 0.8714 -0.0035 0.0503 -0.0012 91 LEU A C ? ? 1 +780 O O A LEU A 81 0.1203 0.8257 0.8793 -0.0003 0.0494 -0.0028 91 LEU A O ? ? 1 +781 O O B LEU A 81 0.1184 0.8239 0.8776 -0.0003 0.0492 -0.0028 91 LEU A O ? ? 1 +782 C CB A LEU A 81 0.1302 0.8117 0.8649 0.0021 0.0459 -0.0002 91 LEU A CB ? ? 1 +783 C CB B LEU A 81 0.1287 0.8102 0.8634 0.0023 0.0461 -0.0003 91 LEU A CB ? ? 1 +784 C CG A LEU A 81 0.1324 0.8032 0.8570 0.0033 0.0414 0.0014 91 LEU A CG ? ? 1 +785 C CG B LEU A 81 0.1310 0.8018 0.8557 0.0036 0.0416 0.0012 91 LEU A CG ? ? 1 +786 C CD1 A LEU A 81 0.1392 0.8055 0.8600 0.0079 0.0422 -0.0001 91 LEU A CD1 ? ? 1 +787 C CD1 B LEU A 81 0.1372 0.8042 0.8590 0.0085 0.0421 -0.0003 91 LEU A CD1 ? ? 1 +788 C CD2 A LEU A 81 0.1255 0.7979 0.8534 0.0033 0.0352 0.0029 91 LEU A CD2 ? ? 1 +789 C CD2 B LEU A 81 0.1240 0.7962 0.8516 0.0034 0.0354 0.0028 91 LEU A CD2 ? ? 1 +790 N N A HIS A 82 0.1247 0.8233 0.8749 -0.0079 0.0548 -0.0012 92 HIS A N ? ? 1 +791 N N B HIS A 82 0.1232 0.8217 0.8732 -0.0078 0.0550 -0.0013 92 HIS A N ? ? 1 +792 C CA A HIS A 82 0.1227 0.8327 0.8845 -0.0097 0.0587 -0.0032 92 HIS A CA ? ? 1 +793 C CA B HIS A 82 0.1208 0.8308 0.8825 -0.0096 0.0588 -0.0032 92 HIS A CA ? ? 1 +794 C C A HIS A 82 0.1149 0.8335 0.8865 -0.0107 0.0540 -0.0030 92 HIS A C ? ? 1 +795 C C B HIS A 82 0.1133 0.8317 0.8846 -0.0104 0.0538 -0.0030 92 HIS A C ? ? 1 +796 O O A HIS A 82 0.1114 0.8261 0.8792 -0.0127 0.0496 -0.0008 92 HIS A O ? ? 1 +797 O O B HIS A 82 0.1097 0.8240 0.8771 -0.0119 0.0491 -0.0008 92 HIS A O ? ? 1 +798 C CB A HIS A 82 0.1265 0.8341 0.8846 -0.0146 0.0646 -0.0029 92 HIS A CB ? ? 1 +799 C CB B HIS A 82 0.1241 0.8319 0.8825 -0.0145 0.0646 -0.0030 92 HIS A CB ? ? 1 +800 C CG A HIS A 82 0.1356 0.8384 0.8876 -0.0136 0.0711 -0.0040 92 HIS A CG ? ? 1 +801 C CG B HIS A 82 0.1331 0.8360 0.8852 -0.0137 0.0711 -0.0040 92 HIS A CG ? ? 1 +802 N ND1 A HIS A 82 0.1390 0.8478 0.8968 -0.0155 0.0782 -0.0060 92 HIS A ND1 ? ? 1 +803 N ND1 B HIS A 82 0.1364 0.8456 0.8945 -0.0155 0.0782 -0.0060 92 HIS A ND1 ? ? 1 +804 C CD2 A HIS A 82 0.1424 0.8349 0.8831 -0.0110 0.0713 -0.0035 92 HIS A CD2 ? ? 1 +805 C CD2 B HIS A 82 0.1400 0.8323 0.8805 -0.0112 0.0714 -0.0034 92 HIS A CD2 ? ? 1 +806 C CE1 A HIS A 82 0.1479 0.8498 0.8973 -0.0139 0.0827 -0.0065 92 HIS A CE1 ? ? 1 +807 C CE1 B HIS A 82 0.1453 0.8472 0.8948 -0.0140 0.0828 -0.0064 92 HIS A CE1 ? ? 1 +808 N NE2 A HIS A 82 0.1504 0.8421 0.8891 -0.0111 0.0787 -0.0050 92 HIS A NE2 ? ? 1 +809 N NE2 B HIS A 82 0.1480 0.8396 0.8865 -0.0114 0.0787 -0.0049 92 HIS A NE2 ? ? 1 +810 N N A PHE A 83 0.1133 0.8437 0.8973 -0.0090 0.0548 -0.0054 93 PHE A N ? ? 1 +811 N N B PHE A 83 0.1118 0.8422 0.8958 -0.0092 0.0551 -0.0055 93 PHE A N ? ? 1 +812 C CA A PHE A 83 0.1065 0.8460 0.9006 -0.0095 0.0504 -0.0058 93 PHE A CA ? ? 1 +813 C CA B PHE A 83 0.1051 0.8447 0.8992 -0.0096 0.0506 -0.0058 93 PHE A CA ? ? 1 +814 C C A PHE A 83 0.1037 0.8458 0.9002 -0.0156 0.0524 -0.0054 93 PHE A C ? ? 1 +815 C C B PHE A 83 0.1025 0.8447 0.8991 -0.0157 0.0526 -0.0054 93 PHE A C ? ? 1 +816 O O A PHE A 83 0.1068 0.8511 0.9052 -0.0186 0.0586 -0.0066 93 PHE A O ? ? 1 +817 O O B PHE A 83 0.1053 0.8498 0.9039 -0.0187 0.0588 -0.0067 93 PHE A O ? ? 1 +818 C CB A PHE A 83 0.1066 0.8580 0.9131 -0.0057 0.0510 -0.0088 93 PHE A CB ? ? 1 +819 C CB B PHE A 83 0.1055 0.8569 0.9119 -0.0058 0.0512 -0.0089 93 PHE A CB ? ? 1 +820 C CG A PHE A 83 0.1011 0.8622 0.9180 -0.0048 0.0458 -0.0096 93 PHE A CG ? ? 1 +821 C CG B PHE A 83 0.1001 0.8612 0.9169 -0.0048 0.0460 -0.0096 93 PHE A CG ? ? 1 +822 C CD1 A PHE A 83 0.0982 0.8554 0.9116 -0.0024 0.0389 -0.0077 93 PHE A CD1 ? ? 1 +823 C CD1 B PHE A 83 0.0974 0.8546 0.9107 -0.0024 0.0391 -0.0077 93 PHE A CD1 ? ? 1 +824 C CD2 A PHE A 83 0.1000 0.8741 0.9300 -0.0061 0.0477 -0.0123 93 PHE A CD2 ? ? 1 +825 C CD2 B PHE A 83 0.0991 0.8732 0.9291 -0.0062 0.0479 -0.0123 93 PHE A CD2 ? ? 1 +826 C CE1 A PHE A 83 0.0933 0.8589 0.9154 -0.0013 0.0341 -0.0084 93 PHE A CE1 ? ? 1 +827 C CE1 B PHE A 83 0.0925 0.8580 0.9146 -0.0013 0.0342 -0.0084 93 PHE A CE1 ? ? 1 +828 C CE2 A PHE A 83 0.0943 0.8772 0.9335 -0.0050 0.0425 -0.0132 93 PHE A CE2 ? ? 1 +829 C CE2 B PHE A 83 0.0935 0.8765 0.9328 -0.0050 0.0427 -0.0132 93 PHE A CE2 ? ? 1 +830 C CZ A PHE A 83 0.0912 0.8695 0.9260 -0.0025 0.0357 -0.0111 93 PHE A CZ ? ? 1 +831 C CZ B PHE A 83 0.0904 0.8688 0.9253 -0.0024 0.0359 -0.0112 93 PHE A CZ ? ? 1 +832 N N A TYR A 84 0.0981 0.8392 0.8940 -0.0175 0.0473 -0.0037 94 TYR A N ? ? 1 +833 N N B TYR A 84 0.0970 0.8381 0.8929 -0.0175 0.0474 -0.0037 94 TYR A N ? ? 1 +834 C CA A TYR A 84 0.0963 0.8377 0.8925 -0.0232 0.0487 -0.0030 94 TYR A CA ? ? 1 +835 C CA B TYR A 84 0.0955 0.8368 0.8916 -0.0232 0.0488 -0.0030 94 TYR A CA ? ? 1 +836 C C A TYR A 84 0.0893 0.8394 0.8949 -0.0243 0.0443 -0.0036 94 TYR A C ? ? 1 +837 C C B TYR A 84 0.0886 0.8387 0.8943 -0.0242 0.0443 -0.0035 94 TYR A C ? ? 1 +838 O O A TYR A 84 0.0857 0.8318 0.8874 -0.0258 0.0401 -0.0015 94 TYR A O ? ? 1 +839 O O B TYR A 84 0.0852 0.8313 0.8869 -0.0257 0.0400 -0.0015 94 TYR A O ? ? 1 +840 C CB A TYR A 84 0.0983 0.8268 0.8809 -0.0252 0.0475 0.0001 94 TYR A CB ? ? 1 +841 C CB B TYR A 84 0.0974 0.8259 0.8800 -0.0252 0.0476 0.0001 94 TYR A CB ? ? 1 +842 C CG A TYR A 84 0.0992 0.8253 0.8793 -0.0309 0.0504 0.0010 94 TYR A CG ? ? 1 +843 C CG B TYR A 84 0.0983 0.8243 0.8783 -0.0309 0.0505 0.0010 94 TYR A CG ? ? 1 +844 C CD1 A TYR A 84 0.1039 0.8324 0.8864 -0.0340 0.0572 -0.0005 94 TYR A CD1 ? ? 1 +845 C CD1 B TYR A 84 0.1029 0.8312 0.8852 -0.0341 0.0573 -0.0005 94 TYR A CD1 ? ? 1 +846 C CD2 A TYR A 84 0.0965 0.8171 0.8712 -0.0330 0.0465 0.0033 94 TYR A CD2 ? ? 1 +847 C CD2 B TYR A 84 0.0956 0.8162 0.8702 -0.0331 0.0465 0.0033 94 TYR A CD2 ? ? 1 +848 C CE1 A TYR A 84 0.1062 0.8312 0.8854 -0.0393 0.0600 0.0004 94 TYR A CE1 ? ? 1 +849 C CE1 B TYR A 84 0.1051 0.8301 0.8842 -0.0393 0.0601 0.0004 94 TYR A CE1 ? ? 1 +850 C CE2 A TYR A 84 0.0983 0.8157 0.8698 -0.0380 0.0490 0.0041 94 TYR A CE2 ? ? 1 +851 C CE2 B TYR A 84 0.0972 0.8146 0.8687 -0.0380 0.0491 0.0041 94 TYR A CE2 ? ? 1 +852 C CZ A TYR A 84 0.1032 0.8225 0.8767 -0.0411 0.0558 0.0027 94 TYR A CZ ? ? 1 +853 C CZ B TYR A 84 0.1021 0.8213 0.8755 -0.0411 0.0558 0.0027 94 TYR A CZ ? ? 1 +854 O OH A TYR A 84 0.1058 0.8210 0.8755 -0.0460 0.0584 0.0037 94 TYR A OH ? ? 1 +855 O OH B TYR A 84 0.1046 0.8197 0.8742 -0.0460 0.0584 0.0037 94 TYR A OH ? ? 1 +856 N N . PRO A 85 0.0871 0.8496 0.9057 -0.0235 0.0453 -0.0065 95 PRO A N ? ? 1 +857 C CA . PRO A 85 0.0813 0.8527 0.9093 -0.0248 0.0413 -0.0075 95 PRO A CA ? ? 1 +858 C CB . PRO A 85 0.0813 0.8656 0.9224 -0.0217 0.0422 -0.0110 95 PRO A CB ? ? 1 +859 C CG . PRO A 85 0.0871 0.8708 0.9274 -0.0217 0.0495 -0.0123 95 PRO A CG ? ? 1 +860 C CD . PRO A 85 0.0911 0.8600 0.9160 -0.0212 0.0502 -0.0092 95 PRO A CD ? ? 1 +861 C C . PRO A 85 0.0818 0.8532 0.9102 -0.0313 0.0443 -0.0073 95 PRO A C ? ? 1 +862 O O . PRO A 85 0.0859 0.8521 0.9091 -0.0345 0.0500 -0.0069 95 PRO A O ? ? 1 +863 N N . ILE A 86 0.0785 0.8557 0.9132 -0.0332 0.0404 -0.0078 96 ILE A N ? ? 1 +864 C CA . ILE A 86 0.0803 0.8575 0.9157 -0.0394 0.0427 -0.0078 96 ILE A CA ? ? 1 +865 C CB . ILE A 86 0.0751 0.8591 0.9176 -0.0404 0.0372 -0.0085 96 ILE A CB ? ? 1 +866 C CG1 . ILE A 86 0.0719 0.8483 0.9061 -0.0380 0.0306 -0.0056 96 ILE A CG1 ? ? 1 +867 C CG2 . ILE A 86 0.0761 0.8618 0.9214 -0.0471 0.0400 -0.0093 96 ILE A CG2 ? ? 1 +868 C CD1 . ILE A 86 0.0671 0.8491 0.9069 -0.0383 0.0251 -0.0061 96 ILE A CD1 ? ? 1 +869 C C . ILE A 86 0.0860 0.8690 0.9280 -0.0430 0.0502 -0.0103 96 ILE A C ? ? 1 +870 O O . ILE A 86 0.0900 0.8673 0.9267 -0.0479 0.0546 -0.0095 96 ILE A O ? ? 1 +871 N N . TRP A 87 0.0870 0.8811 0.9401 -0.0404 0.0516 -0.0135 97 TRP A N ? ? 1 +872 C CA . TRP A 87 0.0924 0.8939 0.9538 -0.0440 0.0587 -0.0163 97 TRP A CA ? ? 1 +873 C CB . TRP A 87 0.0878 0.9050 0.9651 -0.0409 0.0577 -0.0202 97 TRP A CB ? ? 1 +874 C CG . TRP A 87 0.0861 0.9043 0.9634 -0.0336 0.0554 -0.0205 97 TRP A CG ? ? 1 +875 C CD1 . TRP A 87 0.0904 0.9077 0.9663 -0.0309 0.0604 -0.0213 97 TRP A CD1 ? ? 1 +876 N NE1 . TRP A 87 0.0888 0.9066 0.9644 -0.0239 0.0561 -0.0212 97 TRP A NE1 ? ? 1 +877 C CE2 . TRP A 87 0.0828 0.9016 0.9593 -0.0221 0.0484 -0.0203 97 TRP A CE2 ? ? 1 +878 C CZ2 . TRP A 87 0.0803 0.8989 0.9561 -0.0158 0.0420 -0.0198 97 TRP A CZ2 ? ? 1 +879 C CH2 . TRP A 87 0.0752 0.8943 0.9514 -0.0154 0.0351 -0.0187 97 TRP A CH2 ? ? 1 +880 C CZ3 . TRP A 87 0.0725 0.8923 0.9497 -0.0211 0.0342 -0.0183 97 TRP A CZ3 ? ? 1 +881 C CE3 . TRP A 87 0.0752 0.8951 0.9533 -0.0274 0.0404 -0.0189 97 TRP A CE3 ? ? 1 +882 C CD2 . TRP A 87 0.0807 0.9001 0.9584 -0.0280 0.0477 -0.0199 97 TRP A CD2 ? ? 1 +883 C C . TRP A 87 0.1036 0.8972 0.9567 -0.0445 0.0658 -0.0155 97 TRP A C ? ? 1 +884 O O . TRP A 87 0.1086 0.9061 0.9663 -0.0481 0.0727 -0.0174 97 TRP A O ? ? 1 +885 N N . GLU A 88 0.1110 0.8934 0.9517 -0.0411 0.0644 -0.0128 98 GLU A N ? ? 1 +886 C CA . GLU A 88 0.1227 0.8960 0.9536 -0.0417 0.0706 -0.0118 98 GLU A CA ? ? 1 +887 C CB . GLU A 88 0.1269 0.8938 0.9502 -0.0356 0.0683 -0.0106 98 GLU A CB ? ? 1 +888 C CG . GLU A 88 0.1293 0.9058 0.9621 -0.0308 0.0692 -0.0134 98 GLU A CG ? ? 1 +889 C CD . GLU A 88 0.1397 0.9197 0.9759 -0.0325 0.0778 -0.0157 98 GLU A CD ? ? 1 +890 O OE1 . GLU A 88 0.1512 0.9205 0.9759 -0.0336 0.0822 -0.0141 98 GLU A OE1 ? ? 1 +891 O OE2 . GLU A 88 0.1399 0.9330 0.9900 -0.0328 0.0802 -0.0190 98 GLU A OE2 ? ? 1 +892 C C . GLU A 88 0.1280 0.8895 0.9471 -0.0466 0.0726 -0.0091 98 GLU A C ? ? 1 +893 O O . GLU A 88 0.1365 0.8894 0.9463 -0.0475 0.0778 -0.0081 98 GLU A O ? ? 1 +894 N N . ALA A 89 0.1251 0.8861 0.9444 -0.0494 0.0685 -0.0080 99 ALA A N ? ? 1 +895 C CA . ALA A 89 0.1298 0.8800 0.9385 -0.0538 0.0699 -0.0055 99 ALA A CA ? ? 1 +896 C CB . ALA A 89 0.1238 0.8687 0.9269 -0.0528 0.0624 -0.0030 99 ALA A CB ? ? 1 +897 C C . ALA A 89 0.1324 0.8875 0.9477 -0.0601 0.0746 -0.0071 99 ALA A C ? ? 1 +898 O O . ALA A 89 0.1281 0.8950 0.9564 -0.0612 0.0735 -0.0097 99 ALA A O ? ? 1 +899 N N . ALA A 90 0.1408 0.8861 0.9465 -0.0642 0.0797 -0.0056 100 ALA A N ? ? 1 +900 C CA . ALA A 90 0.1441 0.8917 0.9540 -0.0706 0.0845 -0.0068 100 ALA A CA ? ? 1 +901 C CB . ALA A 90 0.1541 0.8890 0.9511 -0.0737 0.0911 -0.0050 100 ALA A CB ? ? 1 +902 C C . ALA A 90 0.1389 0.8878 0.9514 -0.0732 0.0792 -0.0064 100 ALA A C ? ? 1 +903 O O . ALA A 90 0.1374 0.8922 0.9577 -0.0780 0.0813 -0.0082 100 ALA A O ? ? 1 +904 N N . SER A 91 0.1363 0.8796 0.9420 -0.0700 0.0723 -0.0039 101 SER A N ? ? 1 +905 C CA . SER A 91 0.1324 0.8769 0.9402 -0.0718 0.0669 -0.0035 101 SER A CA ? ? 1 +906 C CB . SER A 91 0.1383 0.8721 0.9364 -0.0765 0.0692 -0.0015 101 SER A CB ? ? 1 +907 O OG . SER A 91 0.1437 0.8645 0.9272 -0.0744 0.0690 0.0017 101 SER A OG ? ? 1 +908 C C . SER A 91 0.1268 0.8693 0.9312 -0.0667 0.0591 -0.0016 101 SER A C ? ? 1 +909 O O . SER A 91 0.1283 0.8662 0.9266 -0.0625 0.0582 -0.0003 101 SER A O ? ? 1 +910 N N . LEU A 92 0.1227 0.8687 0.9311 -0.0673 0.0536 -0.0017 102 LEU A N ? ? 1 +911 C CA . LEU A 92 0.1201 0.8630 0.9242 -0.0632 0.0465 0.0003 102 LEU A CA ? ? 1 +912 C CB . LEU A 92 0.1180 0.8660 0.9279 -0.0646 0.0413 -0.0003 102 LEU A CB ? ? 1 +913 C CG . LEU A 92 0.1155 0.8743 0.9356 -0.0608 0.0357 -0.0021 102 LEU A CG ? ? 1 +914 C CD1 . LEU A 92 0.1175 0.8805 0.9409 -0.0560 0.0362 -0.0030 102 LEU A CD1 ? ? 1 +915 C CD2 . LEU A 92 0.1163 0.8860 0.9486 -0.0640 0.0357 -0.0053 102 LEU A CD2 ? ? 1 +916 C C . LEU A 92 0.1232 0.8522 0.9125 -0.0628 0.0463 0.0037 102 LEU A C ? ? 1 +917 O O . LEU A 92 0.1219 0.8470 0.9059 -0.0587 0.0425 0.0054 102 LEU A O ? ? 1 +918 N N . ASP A 93 0.1281 0.8499 0.9109 -0.0671 0.0502 0.0047 103 ASP A N ? ? 1 +919 C CA . ASP A 93 0.1319 0.8407 0.9007 -0.0667 0.0499 0.0078 103 ASP A CA ? ? 1 +920 C CB . ASP A 93 0.1437 0.8454 0.9067 -0.0719 0.0541 0.0084 103 ASP A CB ? ? 1 +921 C CG . ASP A 93 0.1469 0.8505 0.9133 -0.0749 0.0513 0.0082 103 ASP A CG ? ? 1 +922 O OD1 . ASP A 93 0.1442 0.8505 0.9127 -0.0726 0.0451 0.0087 103 ASP A OD1 ? ? 1 +923 O OD2 . ASP A 93 0.1613 0.8635 0.9281 -0.0798 0.0555 0.0074 103 ASP A OD2 ? ? 1 +924 C C . ASP A 93 0.1300 0.8336 0.8920 -0.0634 0.0520 0.0086 103 ASP A C ? ? 1 +925 O O . ASP A 93 0.1289 0.8254 0.8824 -0.0604 0.0486 0.0108 103 ASP A O ? ? 1 +926 N N . GLU A 94 0.1272 0.8347 0.8933 -0.0640 0.0575 0.0068 104 GLU A N ? ? 1 +927 C CA . GLU A 94 0.1262 0.8295 0.8865 -0.0607 0.0596 0.0072 104 GLU A CA ? ? 1 +928 C CB . GLU A 94 0.1294 0.8378 0.8953 -0.0620 0.0666 0.0048 104 GLU A CB ? ? 1 +929 C CG . GLU A 94 0.1332 0.8381 0.8939 -0.0581 0.0686 0.0049 104 GLU A CG ? ? 1 +930 C CD . GLU A 94 0.1354 0.8492 0.9055 -0.0581 0.0741 0.0020 104 GLU A CD ? ? 1 +931 O OE1 . GLU A 94 0.1391 0.8550 0.9124 -0.0625 0.0801 0.0007 104 GLU A OE1 ? ? 1 +932 O OE2 . GLU A 94 0.1329 0.8517 0.9073 -0.0536 0.0724 0.0009 104 GLU A OE2 ? ? 1 +933 C C . GLU A 94 0.1152 0.8221 0.8783 -0.0554 0.0538 0.0073 104 GLU A C ? ? 1 +934 O O . GLU A 94 0.1151 0.8145 0.8693 -0.0523 0.0516 0.0091 104 GLU A O ? ? 1 +935 N N . TRP A 95 0.1047 0.8230 0.8800 -0.0544 0.0514 0.0052 105 TRP A N ? ? 1 +936 C CA . TRP A 95 0.0963 0.8185 0.8750 -0.0493 0.0463 0.0050 105 TRP A CA ? ? 1 +937 C CB . TRP A 95 0.0886 0.8236 0.8809 -0.0491 0.0441 0.0026 105 TRP A CB ? ? 1 +938 C CG . TRP A 95 0.0831 0.8232 0.8801 -0.0437 0.0400 0.0019 105 TRP A CG ? ? 1 +939 C CD1 . TRP A 95 0.0846 0.8271 0.8836 -0.0402 0.0420 0.0007 105 TRP A CD1 ? ? 1 +940 N NE1 . TRP A 95 0.0802 0.8268 0.8832 -0.0356 0.0368 0.0003 105 TRP A NE1 ? ? 1 +941 C CE2 . TRP A 95 0.0753 0.8224 0.8789 -0.0362 0.0314 0.0014 105 TRP A CE2 ? ? 1 +942 C CZ2 . TRP A 95 0.0702 0.8202 0.8765 -0.0326 0.0253 0.0017 105 TRP A CZ2 ? ? 1 +943 C CH2 . TRP A 95 0.0662 0.8156 0.8720 -0.0343 0.0211 0.0028 105 TRP A CH2 ? ? 1 +944 C CZ3 . TRP A 95 0.0667 0.8128 0.8694 -0.0392 0.0227 0.0036 105 TRP A CZ3 ? ? 1 +945 C CE3 . TRP A 95 0.0716 0.8143 0.8713 -0.0427 0.0287 0.0034 105 TRP A CE3 ? ? 1 +946 C CD2 . TRP A 95 0.0762 0.8194 0.8762 -0.0412 0.0332 0.0023 105 TRP A CD2 ? ? 1 +947 C C . TRP A 95 0.0920 0.8070 0.8627 -0.0474 0.0404 0.0077 105 TRP A C ? ? 1 +948 O O . TRP A 95 0.0902 0.8024 0.8573 -0.0434 0.0377 0.0085 105 TRP A O ? ? 1 +949 N N . LEU A 96 0.0900 0.8023 0.8584 -0.0503 0.0385 0.0089 106 LEU A N ? ? 1 +950 C CA . LEU A 96 0.0874 0.7937 0.8492 -0.0489 0.0331 0.0113 106 LEU A CA ? ? 1 +951 C CB . LEU A 96 0.0849 0.7915 0.8478 -0.0524 0.0315 0.0118 106 LEU A CB ? ? 1 +952 C CG . LEU A 96 0.0790 0.7959 0.8531 -0.0527 0.0288 0.0099 106 LEU A CG ? ? 1 +953 C CD1 . LEU A 96 0.0779 0.7938 0.8517 -0.0564 0.0276 0.0103 106 LEU A CD1 ? ? 1 +954 C CD2 . LEU A 96 0.0735 0.7935 0.8500 -0.0482 0.0232 0.0102 106 LEU A CD2 ? ? 1 +955 C C . LEU A 96 0.0928 0.7878 0.8421 -0.0481 0.0340 0.0134 106 LEU A C ? ? 1 +956 O O . LEU A 96 0.0925 0.7838 0.8374 -0.0450 0.0300 0.0148 106 LEU A O ? ? 1 +957 N N A TYR A 97 0.0997 0.7893 0.8435 -0.0508 0.0391 0.0136 107 TYR A N ? ? 1 +958 N N B TYR A 97 0.0996 0.7892 0.8433 -0.0508 0.0391 0.0136 107 TYR A N ? ? 1 +959 C CA A TYR A 97 0.1059 0.7847 0.8374 -0.0500 0.0402 0.0154 107 TYR A CA ? ? 1 +960 C CA B TYR A 97 0.1058 0.7845 0.8373 -0.0500 0.0402 0.0154 107 TYR A CA ? ? 1 +961 C C A TYR A 97 0.1063 0.7837 0.8354 -0.0459 0.0396 0.0152 107 TYR A C ? ? 1 +962 C C B TYR A 97 0.1061 0.7835 0.8352 -0.0459 0.0396 0.0152 107 TYR A C ? ? 1 +963 O O A TYR A 97 0.1068 0.7773 0.8279 -0.0438 0.0367 0.0167 107 TYR A O ? ? 1 +964 O O B TYR A 97 0.1064 0.7767 0.8274 -0.0438 0.0367 0.0167 107 TYR A O ? ? 1 +965 C CB A TYR A 97 0.1151 0.7888 0.8416 -0.0534 0.0466 0.0153 107 TYR A CB ? ? 1 +966 C CB B TYR A 97 0.1150 0.7888 0.8415 -0.0535 0.0466 0.0153 107 TYR A CB ? ? 1 +967 C CG A TYR A 97 0.1234 0.7853 0.8362 -0.0526 0.0475 0.0172 107 TYR A CG ? ? 1 +968 C CG B TYR A 97 0.1239 0.7858 0.8368 -0.0527 0.0477 0.0172 107 TYR A CG ? ? 1 +969 C CD1 A TYR A 97 0.1289 0.7872 0.8368 -0.0502 0.0498 0.0169 107 TYR A CD1 ? ? 1 +970 C CD1 B TYR A 97 0.1297 0.7883 0.8379 -0.0504 0.0502 0.0168 107 TYR A CD1 ? ? 1 +971 C CD2 A TYR A 97 0.1263 0.7803 0.8309 -0.0539 0.0459 0.0192 107 TYR A CD2 ? ? 1 +972 C CD2 B TYR A 97 0.1271 0.7809 0.8315 -0.0539 0.0460 0.0192 107 TYR A CD2 ? ? 1 +973 C CE1 A TYR A 97 0.1366 0.7838 0.8315 -0.0492 0.0502 0.0185 107 TYR A CE1 ? ? 1 +974 C CE1 B TYR A 97 0.1376 0.7850 0.8328 -0.0494 0.0509 0.0183 107 TYR A CE1 ? ? 1 +975 C CE2 A TYR A 97 0.1339 0.7771 0.8259 -0.0528 0.0462 0.0208 107 TYR A CE2 ? ? 1 +976 C CE2 B TYR A 97 0.1350 0.7781 0.8267 -0.0528 0.0465 0.0208 107 TYR A CE2 ? ? 1 +977 C CZ A TYR A 97 0.1391 0.7789 0.8262 -0.0505 0.0483 0.0204 107 TYR A CZ ? ? 1 +978 C CZ B TYR A 97 0.1403 0.7802 0.8274 -0.0506 0.0489 0.0203 107 TYR A CZ ? ? 1 +979 O OH A TYR A 97 0.1471 0.7762 0.8214 -0.0492 0.0483 0.0219 107 TYR A OH ? ? 1 +980 O OH B TYR A 97 0.1489 0.7780 0.8231 -0.0494 0.0492 0.0217 107 TYR A OH ? ? 1 +981 N N A ASN A 98 0.1052 0.7897 0.8419 -0.0448 0.0422 0.0131 108 ASN A N ? ? 1 +982 N N B ASN A 98 0.1046 0.7891 0.8413 -0.0448 0.0422 0.0131 108 ASN A N ? ? 1 +983 C CA A ASN A 98 0.1070 0.7899 0.8413 -0.0411 0.0426 0.0126 108 ASN A CA ? ? 1 +984 C CA B ASN A 98 0.1063 0.7894 0.8407 -0.0410 0.0426 0.0126 108 ASN A CA ? ? 1 +985 C C A ASN A 98 0.1002 0.7875 0.8393 -0.0373 0.0372 0.0124 108 ASN A C ? ? 1 +986 C C B ASN A 98 0.0993 0.7864 0.8382 -0.0372 0.0371 0.0124 108 ASN A C ? ? 1 +987 O O A ASN A 98 0.1020 0.7891 0.8406 -0.0340 0.0374 0.0117 108 ASN A O ? ? 1 +988 O O B ASN A 98 0.1014 0.7877 0.8392 -0.0339 0.0371 0.0118 108 ASN A O ? ? 1 +989 C CB A ASN A 98 0.1115 0.7988 0.8502 -0.0415 0.0489 0.0104 108 ASN A CB ? ? 1 +990 C CB B ASN A 98 0.1104 0.7984 0.8499 -0.0414 0.0487 0.0103 108 ASN A CB ? ? 1 +991 C CG A ASN A 98 0.1199 0.8002 0.8509 -0.0447 0.0546 0.0109 108 ASN A CG ? ? 1 +992 C CG B ASN A 98 0.1189 0.8003 0.8511 -0.0445 0.0548 0.0107 108 ASN A CG ? ? 1 +993 O OD1 A ASN A 98 0.1270 0.8001 0.8493 -0.0434 0.0573 0.0113 108 ASN A OD1 ? ? 1 +994 O OD1 B ASN A 98 0.1260 0.8010 0.8504 -0.0431 0.0578 0.0108 108 ASN A OD1 ? ? 1 +995 N ND2 A ASN A 98 0.1201 0.8017 0.8533 -0.0489 0.0566 0.0110 108 ASN A ND2 ? ? 1 +996 N ND2 B ASN A 98 0.1195 0.8014 0.8531 -0.0487 0.0566 0.0109 108 ASN A ND2 ? ? 1 +997 N N A GLY A 99 0.0929 0.7836 0.8361 -0.0377 0.0326 0.0131 109 GLY A N ? ? 1 +998 N N B GLY A 99 0.0920 0.7827 0.8352 -0.0377 0.0325 0.0131 109 GLY A N ? ? 1 +999 C CA A GLY A 99 0.0869 0.7804 0.8334 -0.0343 0.0273 0.0132 109 GLY A CA ? ? 1 +1000 C CA B GLY A 99 0.0859 0.7794 0.8324 -0.0343 0.0273 0.0132 109 GLY A CA ? ? 1 +1001 C C A GLY A 99 0.0836 0.7869 0.8407 -0.0321 0.0275 0.0110 109 GLY A C ? ? 1 +1002 C C B GLY A 99 0.0823 0.7857 0.8395 -0.0321 0.0274 0.0110 109 GLY A C ? ? 1 +1003 O O A GLY A 99 0.0824 0.7865 0.8405 -0.0283 0.0250 0.0108 109 GLY A O ? ? 1 +1004 O O B GLY A 99 0.0809 0.7851 0.8391 -0.0283 0.0246 0.0108 109 GLY A O ? ? 1 +1005 N N A GLY A 100 0.0822 0.7931 0.8473 -0.0345 0.0304 0.0093 110 GLY A N ? ? 1 +1006 N N B GLY A 100 0.0810 0.7918 0.8461 -0.0345 0.0305 0.0093 110 GLY A N ? ? 1 +1007 C CA A GLY A 100 0.0787 0.8002 0.8551 -0.0325 0.0302 0.0069 110 GLY A CA ? ? 1 +1008 C CA B GLY A 100 0.0774 0.7989 0.8538 -0.0325 0.0302 0.0069 110 GLY A CA ? ? 1 +1009 C C A GLY A 100 0.0726 0.7972 0.8524 -0.0295 0.0239 0.0073 110 GLY A C ? ? 1 +1010 C C B GLY A 100 0.0713 0.7959 0.8511 -0.0295 0.0239 0.0073 110 GLY A C ? ? 1 +1011 O O A GLY A 100 0.0722 0.8000 0.8554 -0.0254 0.0224 0.0064 110 GLY A O ? ? 1 +1012 O O B GLY A 100 0.0709 0.7986 0.8540 -0.0254 0.0223 0.0064 110 GLY A O ? ? 1 +1013 N N A PRO A 101 0.0680 0.7915 0.8468 -0.0312 0.0201 0.0087 111 PRO A N ? ? 1 +1014 N N B PRO A 101 0.0667 0.7902 0.8455 -0.0312 0.0201 0.0087 111 PRO A N ? ? 1 +1015 C CA A PRO A 101 0.0633 0.7897 0.8451 -0.0285 0.0144 0.0091 111 PRO A CA ? ? 1 +1016 C CA B PRO A 101 0.0620 0.7884 0.8438 -0.0285 0.0143 0.0091 111 PRO A CA ? ? 1 +1017 C C A PRO A 101 0.0637 0.7862 0.8417 -0.0239 0.0116 0.0099 111 PRO A C ? ? 1 +1018 C C B PRO A 101 0.0628 0.7852 0.8408 -0.0239 0.0116 0.0100 111 PRO A C ? ? 1 +1019 O O A PRO A 101 0.0618 0.7890 0.8448 -0.0206 0.0086 0.0092 111 PRO A O ? ? 1 +1020 O O B PRO A 101 0.0608 0.7880 0.8438 -0.0206 0.0086 0.0092 111 PRO A O ? ? 1 +1021 C CB A PRO A 101 0.0608 0.7830 0.8382 -0.0314 0.0119 0.0110 111 PRO A CB ? ? 1 +1022 C CB B PRO A 101 0.0596 0.7818 0.8371 -0.0315 0.0119 0.0110 111 PRO A CB ? ? 1 +1023 C CG A PRO A 101 0.0632 0.7851 0.8405 -0.0361 0.0164 0.0105 111 PRO A CG ? ? 1 +1024 C CG B PRO A 101 0.0617 0.7838 0.8391 -0.0361 0.0164 0.0105 111 PRO A CG ? ? 1 +1025 C CD A PRO A 101 0.0684 0.7876 0.8428 -0.0357 0.0213 0.0099 111 PRO A CD ? ? 1 +1026 C CD B PRO A 101 0.0670 0.7863 0.8415 -0.0357 0.0213 0.0099 111 PRO A CD ? ? 1 +1027 N N A TYR A 102 0.0670 0.7805 0.8358 -0.0237 0.0126 0.0114 112 TYR A N ? ? 1 +1028 N N B TYR A 102 0.0662 0.7796 0.8350 -0.0237 0.0126 0.0115 112 TYR A N ? ? 1 +1029 C CA A TYR A 102 0.0684 0.7770 0.8327 -0.0198 0.0104 0.0122 112 TYR A CA ? ? 1 +1030 C CA B TYR A 102 0.0679 0.7764 0.8322 -0.0198 0.0104 0.0122 112 TYR A CA ? ? 1 +1031 C C A TYR A 102 0.0695 0.7833 0.8395 -0.0159 0.0113 0.0102 112 TYR A C ? ? 1 +1032 C C B TYR A 102 0.0690 0.7828 0.8390 -0.0159 0.0113 0.0102 112 TYR A C ? ? 1 +1033 O O A TYR A 102 0.0683 0.7829 0.8397 -0.0123 0.0078 0.0103 112 TYR A O ? ? 1 +1034 O O B TYR A 102 0.0678 0.7824 0.8392 -0.0124 0.0078 0.0103 112 TYR A O ? ? 1 +1035 C CB A TYR A 102 0.0732 0.7724 0.8277 -0.0205 0.0124 0.0133 112 TYR A CB ? ? 1 +1036 C CB B TYR A 102 0.0728 0.7719 0.8272 -0.0205 0.0124 0.0133 112 TYR A CB ? ? 1 +1037 C CG A TYR A 102 0.0757 0.7688 0.8248 -0.0172 0.0100 0.0141 112 TYR A CG ? ? 1 +1038 C CG B TYR A 102 0.0754 0.7685 0.8245 -0.0171 0.0100 0.0141 112 TYR A CG ? ? 1 +1039 C CD1 A TYR A 102 0.0734 0.7629 0.8194 -0.0167 0.0055 0.0158 112 TYR A CD1 ? ? 1 +1040 C CD1 B TYR A 102 0.0733 0.7624 0.8189 -0.0168 0.0056 0.0159 112 TYR A CD1 ? ? 1 +1041 C CD2 A TYR A 102 0.0808 0.7712 0.8273 -0.0148 0.0124 0.0131 112 TYR A CD2 ? ? 1 +1042 C CD2 B TYR A 102 0.0804 0.7714 0.8276 -0.0145 0.0124 0.0129 112 TYR A CD2 ? ? 1 +1043 C CE1 A TYR A 102 0.0759 0.7595 0.8169 -0.0141 0.0034 0.0165 112 TYR A CE1 ? ? 1 +1044 C CE1 B TYR A 102 0.0760 0.7592 0.8166 -0.0142 0.0036 0.0165 112 TYR A CE1 ? ? 1 +1045 C CE2 A TYR A 102 0.0835 0.7678 0.8248 -0.0120 0.0102 0.0136 112 TYR A CE2 ? ? 1 +1046 C CE2 B TYR A 102 0.0832 0.7680 0.8250 -0.0117 0.0102 0.0135 112 TYR A CE2 ? ? 1 +1047 C CZ A TYR A 102 0.0809 0.7617 0.8195 -0.0118 0.0057 0.0154 112 TYR A CZ ? ? 1 +1048 C CZ B TYR A 102 0.0807 0.7616 0.8194 -0.0117 0.0058 0.0153 112 TYR A CZ ? ? 1 +1049 O OH A TYR A 102 0.0838 0.7583 0.8172 -0.0095 0.0037 0.0159 112 TYR A OH ? ? 1 +1050 O OH B TYR A 102 0.0836 0.7582 0.8172 -0.0093 0.0038 0.0158 112 TYR A OH ? ? 1 +1051 N N A GLN A 103 0.0721 0.7892 0.8451 -0.0164 0.0162 0.0083 113 GLN A N ? ? 1 +1052 N N B GLN A 103 0.0717 0.7888 0.8447 -0.0164 0.0162 0.0083 113 GLN A N ? ? 1 +1053 C CA A GLN A 103 0.0736 0.7963 0.8526 -0.0126 0.0176 0.0061 113 GLN A CA ? ? 1 +1054 C CA B GLN A 103 0.0733 0.7961 0.8524 -0.0127 0.0176 0.0061 113 GLN A CA ? ? 1 +1055 C C A GLN A 103 0.0688 0.8009 0.8575 -0.0107 0.0143 0.0049 113 GLN A C ? ? 1 +1056 C C B GLN A 103 0.0684 0.8006 0.8572 -0.0107 0.0143 0.0049 113 GLN A C ? ? 1 +1057 O O A GLN A 103 0.0690 0.8027 0.8598 -0.0062 0.0119 0.0043 113 GLN A O ? ? 1 +1058 O O B GLN A 103 0.0685 0.8023 0.8593 -0.0062 0.0119 0.0043 113 GLN A O ? ? 1 +1059 C CB A GLN A 103 0.0775 0.8031 0.8590 -0.0141 0.0239 0.0043 113 GLN A CB ? ? 1 +1060 C CB B GLN A 103 0.0772 0.8029 0.8588 -0.0141 0.0239 0.0042 113 GLN A CB ? ? 1 +1061 C CG A GLN A 103 0.0835 0.7992 0.8546 -0.0143 0.0270 0.0052 113 GLN A CG ? ? 1 +1062 C CG B GLN A 103 0.0834 0.7995 0.8549 -0.0139 0.0270 0.0050 113 GLN A CG ? ? 1 +1063 C CD A GLN A 103 0.0888 0.8068 0.8617 -0.0142 0.0331 0.0032 113 GLN A CD ? ? 1 +1064 C CD B GLN A 103 0.0886 0.8074 0.8624 -0.0139 0.0331 0.0030 113 GLN A CD ? ? 1 +1065 O OE1 A GLN A 103 0.0882 0.8159 0.8711 -0.0135 0.0353 0.0008 113 GLN A OE1 ? ? 1 +1066 O OE1 B GLN A 103 0.0878 0.8166 0.8718 -0.0132 0.0351 0.0006 113 GLN A OE1 ? ? 1 +1067 N NE2 A GLN A 103 0.0946 0.8037 0.8579 -0.0148 0.0361 0.0039 113 GLN A NE2 ? ? 1 +1068 N NE2 B GLN A 103 0.0945 0.8047 0.8589 -0.0146 0.0363 0.0036 113 GLN A NE2 ? ? 1 +1069 N N . LEU A 104 0.0648 0.8027 0.8589 -0.0141 0.0138 0.0045 114 LEU A N ? ? 1 +1070 C CA . LEU A 104 0.0615 0.8088 0.8651 -0.0127 0.0105 0.0030 114 LEU A CA ? ? 1 +1071 C CB . LEU A 104 0.0583 0.8110 0.8670 -0.0175 0.0111 0.0024 114 LEU A CB ? ? 1 +1072 C CG . LEU A 104 0.0553 0.8196 0.8754 -0.0164 0.0086 0.0000 114 LEU A CG ? ? 1 +1073 C CD1 . LEU A 104 0.0546 0.8266 0.8826 -0.0211 0.0123 -0.0022 114 LEU A CD1 ? ? 1 +1074 C CD2 . LEU A 104 0.0519 0.8151 0.8705 -0.0156 0.0025 0.0014 114 LEU A CD2 ? ? 1 +1075 C C . LEU A 104 0.0601 0.8038 0.8602 -0.0094 0.0046 0.0047 114 LEU A C ? ? 1 +1076 O O . LEU A 104 0.0591 0.8073 0.8638 -0.0051 0.0020 0.0037 114 LEU A O ? ? 1 +1077 N N . ILE A 105 0.0599 0.7952 0.8516 -0.0113 0.0027 0.0074 115 ILE A N ? ? 1 +1078 C CA . ILE A 105 0.0593 0.7905 0.8471 -0.0088 -0.0024 0.0091 115 ILE A CA ? ? 1 +1079 C CB . ILE A 105 0.0579 0.7814 0.8379 -0.0120 -0.0037 0.0118 115 ILE A CB ? ? 1 +1080 C CG1 . ILE A 105 0.0549 0.7830 0.8387 -0.0161 -0.0037 0.0115 115 ILE A CG1 ? ? 1 +1081 C CG2 . ILE A 105 0.0573 0.7760 0.8329 -0.0095 -0.0082 0.0136 115 ILE A CG2 ? ? 1 +1082 C CD1 . ILE A 105 0.0547 0.7763 0.8318 -0.0195 -0.0035 0.0134 115 ILE A CD1 ? ? 1 +1083 C C . ILE A 105 0.0633 0.7904 0.8479 -0.0039 -0.0033 0.0093 115 ILE A C ? ? 1 +1084 O O . ILE A 105 0.0635 0.7927 0.8504 -0.0001 -0.0067 0.0091 115 ILE A O ? ? 1 +1085 N N A ILE A 106 0.0675 0.7884 0.8464 -0.0039 -0.0002 0.0096 116 ILE A N ? ? 1 +1086 N N B ILE A 106 0.0676 0.7885 0.8465 -0.0039 -0.0002 0.0096 116 ILE A N ? ? 1 +1087 C CA A ILE A 106 0.0723 0.7875 0.8466 0.0003 -0.0012 0.0100 116 ILE A CA ? ? 1 +1088 C CA B ILE A 106 0.0726 0.7877 0.8468 0.0003 -0.0012 0.0100 116 ILE A CA ? ? 1 +1089 C C A ILE A 106 0.0746 0.7961 0.8555 0.0050 -0.0007 0.0077 116 ILE A C ? ? 1 +1090 C C B ILE A 106 0.0749 0.7964 0.8558 0.0049 -0.0007 0.0077 116 ILE A C ? ? 1 +1091 O O A ILE A 106 0.0766 0.7960 0.8563 0.0092 -0.0037 0.0079 116 ILE A O ? ? 1 +1092 O O B ILE A 106 0.0766 0.7959 0.8562 0.0092 -0.0037 0.0080 116 ILE A O ? ? 1 +1093 C CB A ILE A 106 0.0766 0.7826 0.8421 -0.0009 0.0014 0.0109 116 ILE A CB ? ? 1 +1094 C CB B ILE A 106 0.0770 0.7830 0.8425 -0.0009 0.0014 0.0109 116 ILE A CB ? ? 1 +1095 C CG1 A ILE A 106 0.0791 0.7876 0.8464 -0.0024 0.0067 0.0092 116 ILE A CG1 ? ? 1 +1096 C CG1 B ILE A 106 0.0798 0.7881 0.8468 -0.0023 0.0067 0.0092 116 ILE A CG1 ? ? 1 +1097 C CG2 A ILE A 106 0.0748 0.7741 0.8335 -0.0045 -0.0002 0.0133 116 ILE A CG2 ? ? 1 +1098 C CG2 B ILE A 106 0.0751 0.7745 0.8338 -0.0045 -0.0003 0.0133 116 ILE A CG2 ? ? 1 +1099 C CD1 A ILE A 106 0.0846 0.7844 0.8435 -0.0020 0.0090 0.0096 116 ILE A CD1 ? ? 1 +1100 C CD1 B ILE A 106 0.0855 0.7852 0.8443 -0.0018 0.0089 0.0096 116 ILE A CD1 ? ? 1 +1101 N N A PHE A 107 0.0750 0.8042 0.8629 0.0042 0.0031 0.0053 117 PHE A N ? ? 1 +1102 N N B PHE A 107 0.0752 0.8045 0.8632 0.0042 0.0031 0.0053 117 PHE A N ? ? 1 +1103 C CA A PHE A 107 0.0776 0.8140 0.8729 0.0086 0.0038 0.0028 117 PHE A CA ? ? 1 +1104 C CA B PHE A 107 0.0781 0.8145 0.8734 0.0087 0.0037 0.0028 117 PHE A CA ? ? 1 +1105 C C A PHE A 107 0.0741 0.8172 0.8758 0.0116 -0.0010 0.0023 117 PHE A C ? ? 1 +1106 C C B PHE A 107 0.0744 0.8175 0.8761 0.0116 -0.0010 0.0022 117 PHE A C ? ? 1 +1107 O O A PHE A 107 0.0770 0.8200 0.8792 0.0169 -0.0033 0.0018 117 PHE A O ? ? 1 +1108 O O B PHE A 107 0.0772 0.8202 0.8795 0.0169 -0.0033 0.0017 117 PHE A O ? ? 1 +1109 C CB A PHE A 107 0.0788 0.8231 0.8813 0.0067 0.0091 0.0003 117 PHE A CB ? ? 1 +1110 C CB B PHE A 107 0.0795 0.8238 0.8820 0.0068 0.0091 0.0003 117 PHE A CB ? ? 1 +1111 C CG A PHE A 107 0.0836 0.8211 0.8794 0.0049 0.0141 0.0006 117 PHE A CG ? ? 1 +1112 C CG B PHE A 107 0.0846 0.8222 0.8804 0.0050 0.0141 0.0006 117 PHE A CG ? ? 1 +1113 C CD1 A PHE A 107 0.0880 0.8148 0.8738 0.0066 0.0134 0.0022 117 PHE A CD1 ? ? 1 +1114 C CD1 B PHE A 107 0.0891 0.8156 0.8745 0.0062 0.0135 0.0024 117 PHE A CD1 ? ? 1 +1115 C CD2 A PHE A 107 0.0844 0.8259 0.8834 0.0014 0.0193 -0.0007 117 PHE A CD2 ? ? 1 +1116 C CD2 B PHE A 107 0.0858 0.8280 0.8855 0.0018 0.0195 -0.0009 117 PHE A CD2 ? ? 1 +1117 C CE1 A PHE A 107 0.0927 0.8129 0.8716 0.0051 0.0176 0.0024 117 PHE A CE1 ? ? 1 +1118 C CE1 B PHE A 107 0.0940 0.8140 0.8726 0.0046 0.0178 0.0025 117 PHE A CE1 ? ? 1 +1119 C CE2 A PHE A 107 0.0895 0.8239 0.8812 0.0000 0.0238 -0.0004 117 PHE A CE2 ? ? 1 +1120 C CE2 B PHE A 107 0.0910 0.8263 0.8835 0.0002 0.0241 -0.0006 117 PHE A CE2 ? ? 1 +1121 C CZ A PHE A 107 0.0934 0.8172 0.8749 0.0019 0.0228 0.0012 117 PHE A CZ ? ? 1 +1122 C CZ B PHE A 107 0.0948 0.8190 0.8767 0.0018 0.0230 0.0011 117 PHE A CZ ? ? 1 +1123 N N . HIS A 108 0.0687 0.8169 0.8746 0.0083 -0.0027 0.0023 118 HIS A N ? ? 1 +1124 C CA . HIS A 108 0.0658 0.8194 0.8765 0.0107 -0.0077 0.0020 118 HIS A CA ? ? 1 +1125 C CB . HIS A 108 0.0607 0.8195 0.8755 0.0059 -0.0085 0.0018 118 HIS A CB ? ? 1 +1126 C CG . HIS A 108 0.0591 0.8284 0.8840 0.0034 -0.0049 -0.0011 118 HIS A CG ? ? 1 +1127 N ND1 . HIS A 108 0.0578 0.8383 0.8932 0.0054 -0.0068 -0.0038 118 HIS A ND1 ? ? 1 +1128 C CE1 . HIS A 108 0.0570 0.8447 0.8996 0.0020 -0.0024 -0.0060 118 HIS A CE1 ? ? 1 +1129 N NE2 . HIS A 108 0.0580 0.8392 0.8947 -0.0017 0.0023 -0.0048 118 HIS A NE2 ? ? 1 +1130 C CD2 . HIS A 108 0.0594 0.8290 0.8849 -0.0007 0.0006 -0.0017 118 HIS A CD2 ? ? 1 +1131 C C . HIS A 108 0.0669 0.8118 0.8695 0.0137 -0.0122 0.0044 118 HIS A C ? ? 1 +1132 O O . HIS A 108 0.0682 0.8150 0.8727 0.0187 -0.0156 0.0039 118 HIS A O ? ? 1 +1133 N N . PHE A 109 0.0664 0.8016 0.8599 0.0107 -0.0122 0.0071 119 PHE A N ? ? 1 +1134 C CA . PHE A 109 0.0677 0.7939 0.8531 0.0127 -0.0157 0.0096 119 PHE A CA ? ? 1 +1135 C CB . PHE A 109 0.0673 0.7847 0.8443 0.0084 -0.0148 0.0120 119 PHE A CB ? ? 1 +1136 C CG . PHE A 109 0.0707 0.7784 0.8394 0.0103 -0.0176 0.0143 119 PHE A CG ? ? 1 +1137 C CD1 . PHE A 109 0.0703 0.7771 0.8378 0.0112 -0.0216 0.0156 119 PHE A CD1 ? ? 1 +1138 C CD2 . PHE A 109 0.0754 0.7750 0.8376 0.0111 -0.0160 0.0149 119 PHE A CD2 ? ? 1 +1139 C CE1 . PHE A 109 0.0743 0.7719 0.8341 0.0127 -0.0237 0.0177 119 PHE A CE1 ? ? 1 +1140 C CE2 . PHE A 109 0.0790 0.7696 0.8338 0.0125 -0.0183 0.0168 119 PHE A CE2 ? ? 1 +1141 C CZ . PHE A 109 0.0783 0.7681 0.8321 0.0133 -0.0220 0.0183 119 PHE A CZ ? ? 1 +1142 C C . PHE A 109 0.0731 0.7947 0.8553 0.0180 -0.0160 0.0094 119 PHE A C ? ? 1 +1143 O O . PHE A 109 0.0754 0.7949 0.8559 0.0219 -0.0197 0.0100 119 PHE A O ? ? 1 +1144 N N A LEU A 110 0.0758 0.7951 0.8565 0.0182 -0.0121 0.0085 120 LEU A N ? ? 1 +1145 N N B LEU A 110 0.0758 0.7951 0.8565 0.0182 -0.0121 0.0085 120 LEU A N ? ? 1 +1146 C CA A LEU A 110 0.0820 0.7960 0.8590 0.0230 -0.0119 0.0082 120 LEU A CA ? ? 1 +1147 C CA B LEU A 110 0.0820 0.7960 0.8589 0.0231 -0.0120 0.0082 120 LEU A CA ? ? 1 +1148 C C A LEU A 110 0.0843 0.8057 0.8684 0.0287 -0.0136 0.0061 120 LEU A C ? ? 1 +1149 C C B LEU A 110 0.0842 0.8056 0.8683 0.0287 -0.0137 0.0061 120 LEU A C ? ? 1 +1150 O O A LEU A 110 0.0893 0.8059 0.8698 0.0335 -0.0161 0.0066 120 LEU A O ? ? 1 +1151 O O B LEU A 110 0.0892 0.8058 0.8697 0.0335 -0.0161 0.0066 120 LEU A O ? ? 1 +1152 C CB A LEU A 110 0.0848 0.7956 0.8590 0.0219 -0.0071 0.0073 120 LEU A CB ? ? 1 +1153 C CB B LEU A 110 0.0848 0.7952 0.8587 0.0220 -0.0072 0.0074 120 LEU A CB ? ? 1 +1154 C CG A LEU A 110 0.0849 0.7863 0.8503 0.0177 -0.0060 0.0094 120 LEU A CG ? ? 1 +1155 C CG B LEU A 110 0.0850 0.7860 0.8501 0.0178 -0.0062 0.0095 120 LEU A CG ? ? 1 +1156 C CD1 A LEU A 110 0.0882 0.7870 0.8509 0.0168 -0.0013 0.0083 120 LEU A CD1 ? ? 1 +1157 C CD1 B LEU A 110 0.0883 0.7866 0.8506 0.0168 -0.0015 0.0084 120 LEU A CD1 ? ? 1 +1158 C CD2 A LEU A 110 0.0884 0.7798 0.8456 0.0192 -0.0092 0.0115 120 LEU A CD2 ? ? 1 +1159 C CD2 B LEU A 110 0.0886 0.7796 0.8454 0.0193 -0.0093 0.0115 120 LEU A CD2 ? ? 1 +1160 N N . LEU A 111 0.0810 0.8141 0.8753 0.0281 -0.0123 0.0037 121 LEU A N ? ? 1 +1161 C CA . LEU A 111 0.0827 0.8247 0.8852 0.0332 -0.0144 0.0015 121 LEU A CA ? ? 1 +1162 C CB . LEU A 111 0.0797 0.8351 0.8941 0.0311 -0.0122 -0.0014 121 LEU A CB ? ? 1 +1163 C CG . LEU A 111 0.0835 0.8452 0.9043 0.0333 -0.0079 -0.0043 121 LEU A CG ? ? 1 +1164 C CD1 . LEU A 111 0.0799 0.8562 0.9138 0.0322 -0.0072 -0.0073 121 LEU A CD1 ? ? 1 +1165 C CD2 . LEU A 111 0.0909 0.8501 0.9102 0.0406 -0.0094 -0.0050 121 LEU A CD2 ? ? 1 +1166 C C . LEU A 111 0.0816 0.8229 0.8829 0.0356 -0.0203 0.0027 121 LEU A C ? ? 1 +1167 O O . LEU A 111 0.0860 0.8261 0.8866 0.0415 -0.0232 0.0025 121 LEU A O ? ? 1 +1168 N N . GLY A 112 0.0760 0.8178 0.8768 0.0311 -0.0219 0.0041 122 GLY A N ? ? 1 +1169 C CA . GLY A 112 0.0755 0.8165 0.8747 0.0327 -0.0271 0.0053 122 GLY A CA ? ? 1 +1170 C C . GLY A 112 0.0805 0.8092 0.8690 0.0356 -0.0296 0.0080 122 GLY A C ? ? 1 +1171 O O . GLY A 112 0.0835 0.8114 0.8709 0.0401 -0.0337 0.0083 122 GLY A O ? ? 1 +1172 N N . ALA A 113 0.0814 0.8005 0.8620 0.0331 -0.0270 0.0098 123 ALA A N ? ? 1 +1173 C CA . ALA A 113 0.0866 0.7936 0.8570 0.0349 -0.0288 0.0123 123 ALA A CA ? ? 1 +1174 C CB . ALA A 113 0.0854 0.7840 0.8487 0.0299 -0.0261 0.0141 123 ALA A CB ? ? 1 +1175 C C . ALA A 113 0.0938 0.7974 0.8624 0.0412 -0.0290 0.0114 123 ALA A C ? ? 1 +1176 O O . ALA A 113 0.0991 0.7954 0.8616 0.0447 -0.0319 0.0129 123 ALA A O ? ? 1 +1177 N N . SER A 114 0.0946 0.8031 0.8682 0.0425 -0.0258 0.0091 124 SER A N ? ? 1 +1178 C CA . SER A 114 0.1020 0.8093 0.8756 0.0490 -0.0259 0.0077 124 SER A CA ? ? 1 +1179 C CB . SER A 114 0.1023 0.8152 0.8815 0.0493 -0.0212 0.0051 124 SER A CB ? ? 1 +1180 O OG . SER A 114 0.1022 0.8086 0.8758 0.0445 -0.0175 0.0060 124 SER A OG ? ? 1 +1181 C C . SER A 114 0.1035 0.8169 0.8820 0.0546 -0.0302 0.0067 124 SER A C ? ? 1 +1182 O O . SER A 114 0.1113 0.8187 0.8851 0.0602 -0.0325 0.0072 124 SER A O ? ? 1 +1183 N N . CYS A 115 0.0968 0.8218 0.8844 0.0531 -0.0315 0.0052 125 CYS A N ? ? 1 +1184 C CA . CYS A 115 0.0983 0.8295 0.8905 0.0581 -0.0362 0.0042 125 CYS A CA ? ? 1 +1185 C CB . CYS A 115 0.0918 0.8380 0.8966 0.0560 -0.0361 0.0014 125 CYS A CB ? ? 1 +1186 S SG . CYS A 115 0.0909 0.8478 0.9064 0.0567 -0.0309 -0.0024 125 CYS A SG ? ? 1 +1187 C C . CYS A 115 0.1004 0.8234 0.8843 0.0588 -0.0407 0.0070 125 CYS A C ? ? 1 +1188 O O . CYS A 115 0.1056 0.8281 0.8885 0.0646 -0.0447 0.0069 125 CYS A O ? ? 1 +1189 N N A TYR A 116 0.0969 0.8134 0.8747 0.0530 -0.0399 0.0095 126 TYR A N ? ? 1 +1190 N N B TYR A 116 0.0968 0.8135 0.8747 0.0530 -0.0399 0.0095 126 TYR A N ? ? 1 +1191 C CA A TYR A 116 0.0999 0.8071 0.8687 0.0531 -0.0431 0.0125 126 TYR A CA ? ? 1 +1192 C CA B TYR A 116 0.1000 0.8073 0.8689 0.0531 -0.0431 0.0125 126 TYR A CA ? ? 1 +1193 C C A TYR A 116 0.1091 0.8049 0.8690 0.0582 -0.0440 0.0139 126 TYR A C ? ? 1 +1194 C C B TYR A 116 0.1091 0.8049 0.8690 0.0582 -0.0440 0.0139 126 TYR A C ? ? 1 +1195 O O A TYR A 116 0.1146 0.8061 0.8699 0.0623 -0.0479 0.0151 126 TYR A O ? ? 1 +1196 O O B TYR A 116 0.1144 0.8059 0.8697 0.0623 -0.0479 0.0151 126 TYR A O ? ? 1 +1197 C CB A TYR A 116 0.0953 0.7973 0.8593 0.0459 -0.0411 0.0147 126 TYR A CB ? ? 1 +1198 C CB B TYR A 116 0.0954 0.7974 0.8595 0.0460 -0.0411 0.0147 126 TYR A CB ? ? 1 +1199 C CG A TYR A 116 0.0975 0.7917 0.8536 0.0451 -0.0441 0.0176 126 TYR A CG ? ? 1 +1200 C CG B TYR A 116 0.0977 0.7919 0.8538 0.0451 -0.0440 0.0176 126 TYR A CG ? ? 1 +1201 C CD1 A TYR A 116 0.1042 0.7855 0.8500 0.0462 -0.0442 0.0200 126 TYR A CD1 ? ? 1 +1202 C CD1 B TYR A 116 0.1043 0.7857 0.8502 0.0462 -0.0442 0.0200 126 TYR A CD1 ? ? 1 +1203 C CD2 A TYR A 116 0.0935 0.7929 0.8523 0.0432 -0.0466 0.0178 126 TYR A CD2 ? ? 1 +1204 C CD2 B TYR A 116 0.0940 0.7935 0.8529 0.0432 -0.0466 0.0178 126 TYR A CD2 ? ? 1 +1205 C CE1 A TYR A 116 0.1066 0.7807 0.8451 0.0453 -0.0464 0.0227 126 TYR A CE1 ? ? 1 +1206 C CE1 B TYR A 116 0.1068 0.7810 0.8453 0.0451 -0.0464 0.0227 126 TYR A CE1 ? ? 1 +1207 C CE2 A TYR A 116 0.0961 0.7881 0.8472 0.0425 -0.0490 0.0204 126 TYR A CE2 ? ? 1 +1208 C CE2 B TYR A 116 0.0965 0.7886 0.8477 0.0424 -0.0490 0.0204 126 TYR A CE2 ? ? 1 +1209 C CZ A TYR A 116 0.1026 0.7821 0.8437 0.0435 -0.0487 0.0229 126 TYR A CZ ? ? 1 +1210 C CZ B TYR A 116 0.1028 0.7824 0.8440 0.0434 -0.0487 0.0229 126 TYR A CZ ? ? 1 +1211 O OH A TYR A 116 0.1056 0.7778 0.8392 0.0427 -0.0507 0.0255 126 TYR A OH ? ? 1 +1212 O OH B TYR A 116 0.1060 0.7784 0.8397 0.0425 -0.0506 0.0255 126 TYR A OH ? ? 1 +1213 N N . MET A 117 0.1114 0.8019 0.8685 0.0580 -0.0404 0.0137 127 MET A N ? ? 1 +1214 C CA . MET A 117 0.1208 0.8003 0.8697 0.0627 -0.0407 0.0146 127 MET A CA ? ? 1 +1215 C CB . MET A 117 0.1226 0.7973 0.8690 0.0608 -0.0362 0.0142 127 MET A CB ? ? 1 +1216 C CG . MET A 117 0.1340 0.7963 0.8714 0.0652 -0.0362 0.0150 127 MET A CG ? ? 1 +1217 S SD . MET A 117 0.1376 0.7920 0.8700 0.0622 -0.0312 0.0147 127 MET A SD ? ? 1 +1218 C CE . MET A 117 0.1347 0.8027 0.8787 0.0653 -0.0285 0.0107 127 MET A CE ? ? 1 +1219 C C . MET A 117 0.1260 0.8098 0.8785 0.0707 -0.0434 0.0128 127 MET A C ? ? 1 +1220 O O . MET A 117 0.1345 0.8099 0.8798 0.0754 -0.0462 0.0141 127 MET A O ? ? 1 +1221 N N . GLY A 118 0.1221 0.8187 0.8857 0.0722 -0.0424 0.0096 128 GLY A N ? ? 1 +1222 C CA . GLY A 118 0.1268 0.8297 0.8957 0.0799 -0.0451 0.0073 128 GLY A CA ? ? 1 +1223 C C . GLY A 118 0.1286 0.8331 0.8969 0.0828 -0.0507 0.0081 128 GLY A C ? ? 1 +1224 O O . GLY A 118 0.1370 0.8376 0.9016 0.0897 -0.0540 0.0082 128 GLY A O ? ? 1 +1225 N N . ARG A 119 0.1213 0.8307 0.8924 0.0775 -0.0517 0.0087 129 ARG A N ? ? 1 +1226 C CA . ARG A 119 0.1226 0.8331 0.8924 0.0793 -0.0569 0.0095 129 ARG A CA ? ? 1 +1227 C CB . ARG A 119 0.1131 0.8304 0.8875 0.0723 -0.0566 0.0096 129 ARG A CB ? ? 1 +1228 C CG . ARG A 119 0.1137 0.8328 0.8871 0.0733 -0.0617 0.0102 129 ARG A CG ? ? 1 +1229 C CD . ARG A 119 0.1040 0.8335 0.8856 0.0671 -0.0612 0.0089 129 ARG A CD ? ? 1 +1230 N NE . ARG A 119 0.1043 0.8329 0.8825 0.0665 -0.0653 0.0102 129 ARG A NE ? ? 1 +1231 C CZ . ARG A 119 0.1040 0.8233 0.8734 0.0624 -0.0650 0.0133 129 ARG A CZ ? ? 1 +1232 N NH1 . ARG A 119 0.1034 0.8135 0.8663 0.0586 -0.0611 0.0156 129 ARG A NH1 ? ? 1 +1233 N NH2 . ARG A 119 0.1046 0.8241 0.8716 0.0622 -0.0688 0.0140 129 ARG A NH2 ? ? 1 +1234 C C . ARG A 119 0.1315 0.8271 0.8878 0.0817 -0.0594 0.0129 129 ARG A C ? ? 1 +1235 O O . ARG A 119 0.1370 0.8320 0.8910 0.0867 -0.0640 0.0132 129 ARG A O ? ? 1 +1236 N N A GLN A 120 0.1333 0.8169 0.8806 0.0782 -0.0562 0.0154 130 GLN A N ? ? 1 +1237 N N B GLN A 120 0.1333 0.8169 0.8806 0.0782 -0.0562 0.0154 130 GLN A N ? ? 1 +1238 C CA A GLN A 120 0.1423 0.8109 0.8766 0.0799 -0.0577 0.0186 130 GLN A CA ? ? 1 +1239 C CA B GLN A 120 0.1423 0.8109 0.8767 0.0799 -0.0577 0.0186 130 GLN A CA ? ? 1 +1240 C C A GLN A 120 0.1535 0.8164 0.8837 0.0882 -0.0595 0.0182 130 GLN A C ? ? 1 +1241 C C B GLN A 120 0.1535 0.8164 0.8837 0.0882 -0.0595 0.0182 130 GLN A C ? ? 1 +1242 O O A GLN A 120 0.1621 0.8173 0.8845 0.0924 -0.0630 0.0199 130 GLN A O ? ? 1 +1243 O O B GLN A 120 0.1621 0.8173 0.8845 0.0925 -0.0630 0.0199 130 GLN A O ? ? 1 +1244 C CB A GLN A 120 0.1414 0.7996 0.8686 0.0739 -0.0536 0.0209 130 GLN A CB ? ? 1 +1245 C CB B GLN A 120 0.1415 0.7997 0.8686 0.0739 -0.0536 0.0208 130 GLN A CB ? ? 1 +1246 C CG A GLN A 120 0.1324 0.7933 0.8609 0.0662 -0.0524 0.0220 130 GLN A CG ? ? 1 +1247 C CG B GLN A 120 0.1333 0.7931 0.8607 0.0665 -0.0528 0.0223 130 GLN A CG ? ? 1 +1248 C CD A GLN A 120 0.1325 0.7829 0.8535 0.0608 -0.0491 0.0242 130 GLN A CD ? ? 1 +1249 C CD B GLN A 120 0.1332 0.7829 0.8536 0.0611 -0.0493 0.0244 130 GLN A CD ? ? 1 +1250 O OE1 A GLN A 120 0.1323 0.7805 0.8533 0.0594 -0.0458 0.0235 130 GLN A OE1 ? ? 1 +1251 O OE1 B GLN A 120 0.1360 0.7810 0.8544 0.0614 -0.0466 0.0239 130 GLN A OE1 ? ? 1 +1252 N NE2 A GLN A 120 0.1331 0.7770 0.8476 0.0577 -0.0500 0.0268 130 GLN A NE2 ? ? 1 +1253 N NE2 B GLN A 120 0.1302 0.7766 0.8468 0.0562 -0.0494 0.0265 130 GLN A NE2 ? ? 1 +1254 N N . TRP A 121 0.1541 0.8201 0.8888 0.0905 -0.0570 0.0160 131 TRP A N ? ? 1 +1255 C CA . TRP A 121 0.1644 0.8274 0.8972 0.0991 -0.0587 0.0149 131 TRP A CA ? ? 1 +1256 C CB . TRP A 121 0.1648 0.8317 0.9030 0.1010 -0.0551 0.0123 131 TRP A CB ? ? 1 +1257 C CG . TRP A 121 0.1744 0.8423 0.9135 0.1105 -0.0581 0.0106 131 TRP A CG ? ? 1 +1258 C CD1 . TRP A 121 0.1874 0.8420 0.9158 0.1164 -0.0596 0.0121 131 TRP A CD1 ? ? 1 +1259 N NE1 . TRP A 121 0.1934 0.8539 0.9263 0.1251 -0.0628 0.0099 131 TRP A NE1 ? ? 1 +1260 C CE2 . TRP A 121 0.1839 0.8624 0.9313 0.1245 -0.0635 0.0067 131 TRP A CE2 ? ? 1 +1261 C CZ2 . TRP A 121 0.1853 0.8763 0.9426 0.1313 -0.0664 0.0034 131 TRP A CZ2 ? ? 1 +1262 C CH2 . TRP A 121 0.1747 0.8831 0.9462 0.1283 -0.0662 0.0006 131 TRP A CH2 ? ? 1 +1263 C CZ3 . TRP A 121 0.1633 0.8758 0.9384 0.1189 -0.0631 0.0011 131 TRP A CZ3 ? ? 1 +1264 C CE3 . TRP A 121 0.1623 0.8624 0.9272 0.1126 -0.0603 0.0044 131 TRP A CE3 ? ? 1 +1265 C CD2 . TRP A 121 0.1725 0.8556 0.9236 0.1153 -0.0605 0.0072 131 TRP A CD2 ? ? 1 +1266 C C . TRP A 121 0.1664 0.8389 0.9051 0.1051 -0.0639 0.0132 131 TRP A C ? ? 1 +1267 O O . TRP A 121 0.1768 0.8423 0.9087 0.1116 -0.0675 0.0141 131 TRP A O ? ? 1 +1268 N N . GLU A 122 0.1575 0.8456 0.9086 0.1027 -0.0643 0.0107 132 GLU A N ? ? 1 +1269 C CA . GLU A 122 0.1591 0.8587 0.9183 0.1085 -0.0690 0.0081 132 GLU A CA ? ? 1 +1270 C CB . GLU A 122 0.1473 0.8642 0.9211 0.1042 -0.0679 0.0051 132 GLU A CB ? ? 1 +1271 C CG . GLU A 122 0.1483 0.8789 0.9327 0.1103 -0.0723 0.0016 132 GLU A CG ? ? 1 +1272 C CD . GLU A 122 0.1373 0.8850 0.9364 0.1056 -0.0711 -0.0016 132 GLU A CD ? ? 1 +1273 O OE1 . GLU A 122 0.1301 0.8792 0.9319 0.0986 -0.0659 -0.0015 132 GLU A OE1 ? ? 1 +1274 O OE2 . GLU A 122 0.1363 0.8956 0.9440 0.1087 -0.0754 -0.0042 132 GLU A OE2 ? ? 1 +1275 C C . GLU A 122 0.1658 0.8597 0.9174 0.1112 -0.0744 0.0102 132 GLU A C ? ? 1 +1276 O O . GLU A 122 0.1747 0.8682 0.9248 0.1191 -0.0787 0.0095 132 GLU A O ? ? 1 +1277 N N . LEU A 123 0.1625 0.8518 0.9090 0.1048 -0.0741 0.0128 133 LEU A N ? ? 1 +1278 C CA . LEU A 123 0.1687 0.8522 0.9074 0.1068 -0.0788 0.0149 133 LEU A CA ? ? 1 +1279 C CB . LEU A 123 0.1624 0.8436 0.8980 0.0988 -0.0776 0.0171 133 LEU A CB ? ? 1 +1280 C CG . LEU A 123 0.1682 0.8441 0.8959 0.1004 -0.0821 0.0191 133 LEU A CG ? ? 1 +1281 C CD1 . LEU A 123 0.1692 0.8566 0.9042 0.1059 -0.0878 0.0163 133 LEU A CD1 ? ? 1 +1282 C CD2 . LEU A 123 0.1609 0.8356 0.8867 0.0922 -0.0804 0.0209 133 LEU A CD2 ? ? 1 +1283 C C . LEU A 123 0.1829 0.8497 0.9073 0.1123 -0.0800 0.0176 133 LEU A C ? ? 1 +1284 O O . LEU A 123 0.1914 0.8547 0.9105 0.1181 -0.0848 0.0183 133 LEU A O ? ? 1 +1285 N N A SER A 124 0.1859 0.8421 0.9040 0.1105 -0.0757 0.0192 134 SER A N ? ? 1 +1286 N N B SER A 124 0.1858 0.8421 0.9040 0.1104 -0.0757 0.0192 134 SER A N ? ? 1 +1287 C CA A SER A 124 0.1995 0.8389 0.9038 0.1149 -0.0762 0.0218 134 SER A CA ? ? 1 +1288 C CA B SER A 124 0.1995 0.8390 0.9039 0.1149 -0.0762 0.0218 134 SER A CA ? ? 1 +1289 C C A SER A 124 0.2093 0.8500 0.9143 0.1250 -0.0799 0.0200 134 SER A C ? ? 1 +1290 C C B SER A 124 0.2092 0.8500 0.9143 0.1250 -0.0799 0.0200 134 SER A C ? ? 1 +1291 O O A SER A 124 0.2214 0.8514 0.9159 0.1307 -0.0831 0.0218 134 SER A O ? ? 1 +1292 O O B SER A 124 0.2212 0.8512 0.9158 0.1306 -0.0831 0.0218 134 SER A O ? ? 1 +1293 C CB A SER A 124 0.2003 0.8295 0.8992 0.1107 -0.0709 0.0232 134 SER A CB ? ? 1 +1294 C CB B SER A 124 0.2002 0.8295 0.8992 0.1107 -0.0708 0.0232 134 SER A CB ? ? 1 +1295 O OG A SER A 124 0.1995 0.8335 0.9047 0.1134 -0.0686 0.0205 134 SER A OG ? ? 1 +1296 O OG B SER A 124 0.1995 0.8335 0.9048 0.1134 -0.0686 0.0205 134 SER A OG ? ? 1 +1297 N N . TYR A 125 0.2043 0.8584 0.9218 0.1273 -0.0793 0.0162 135 TYR A N ? ? 1 +1298 C CA . TYR A 125 0.2127 0.8711 0.9334 0.1370 -0.0828 0.0139 135 TYR A CA ? ? 1 +1299 C CB . TYR A 125 0.2052 0.8781 0.9402 0.1374 -0.0802 0.0099 135 TYR A CB ? ? 1 +1300 C CG . TYR A 125 0.2138 0.8900 0.9520 0.1475 -0.0828 0.0073 135 TYR A CG ? ? 1 +1301 C CD1 . TYR A 125 0.2265 0.8882 0.9537 0.1533 -0.0824 0.0088 135 TYR A CD1 ? ? 1 +1302 C CD2 . TYR A 125 0.2091 0.9030 0.9615 0.1514 -0.0855 0.0033 135 TYR A CD2 ? ? 1 +1303 C CE1 . TYR A 125 0.2349 0.8994 0.9648 0.1629 -0.0847 0.0064 135 TYR A CE1 ? ? 1 +1304 C CE2 . TYR A 125 0.2174 0.9151 0.9732 0.1609 -0.0880 0.0008 135 TYR A CE2 ? ? 1 +1305 C CZ . TYR A 125 0.2301 0.9130 0.9745 0.1669 -0.0876 0.0024 135 TYR A CZ ? ? 1 +1306 O OH . TYR A 125 0.2383 0.9246 0.9858 0.1769 -0.0901 -0.0001 135 TYR A OH ? ? 1 +1307 C C . TYR A 125 0.2162 0.8807 0.9385 0.1417 -0.0893 0.0132 135 TYR A C ? ? 1 +1308 O O . TYR A 125 0.2282 0.8862 0.9436 0.1499 -0.0935 0.0137 135 TYR A O ? ? 1 +1309 N N . ARG A 126 0.2070 0.8831 0.9376 0.1364 -0.0903 0.0122 136 ARG A N ? ? 1 +1310 C CA . ARG A 126 0.2102 0.8928 0.9427 0.1400 -0.0965 0.0113 136 ARG A CA ? ? 1 +1311 C CB . ARG A 126 0.1969 0.8939 0.9407 0.1330 -0.0965 0.0095 136 ARG A CB ? ? 1 +1312 C CG . ARG A 126 0.1855 0.8969 0.9443 0.1286 -0.0923 0.0062 136 ARG A CG ? ? 1 +1313 C CD . ARG A 126 0.1878 0.9110 0.9575 0.1357 -0.0939 0.0022 136 ARG A CD ? ? 1 +1314 N NE . ARG A 126 0.1769 0.9147 0.9613 0.1308 -0.0897 -0.0010 136 ARG A NE ? ? 1 +1315 C CZ . ARG A 126 0.1774 0.9219 0.9698 0.1340 -0.0872 -0.0038 136 ARG A CZ ? ? 1 +1316 N NH1 . ARG A 126 0.1883 0.9269 0.9762 0.1424 -0.0886 -0.0039 136 ARG A NH1 ? ? 1 +1317 N NH2 . ARG A 126 0.1671 0.9243 0.9722 0.1288 -0.0830 -0.0065 136 ARG A NH2 ? ? 1 +1318 C C . ARG A 126 0.2223 0.8894 0.9389 0.1419 -0.0997 0.0152 136 ARG A C ? ? 1 +1319 O O . ARG A 126 0.2300 0.8980 0.9442 0.1484 -0.1055 0.0147 136 ARG A O ? ? 1 +1320 N N A LEU A 127 0.2244 0.8775 0.9301 0.1362 -0.0958 0.0190 137 LEU A N ? ? 1 +1321 N N B LEU A 127 0.2241 0.8772 0.9298 0.1361 -0.0958 0.0190 137 LEU A N ? ? 1 +1322 C CA A LEU A 127 0.2351 0.8731 0.9256 0.1368 -0.0977 0.0228 137 LEU A CA ? ? 1 +1323 C CA B LEU A 127 0.2349 0.8728 0.9253 0.1369 -0.0977 0.0228 137 LEU A CA ? ? 1 +1324 C C A LEU A 127 0.2518 0.8724 0.9283 0.1429 -0.0978 0.0252 137 LEU A C ? ? 1 +1325 C C B LEU A 127 0.2513 0.8718 0.9278 0.1430 -0.0977 0.0252 137 LEU A C ? ? 1 +1326 O O A LEU A 127 0.2625 0.8697 0.9256 0.1443 -0.0994 0.0284 137 LEU A O ? ? 1 +1327 O O B LEU A 127 0.2621 0.8690 0.9250 0.1443 -0.0993 0.0285 137 LEU A O ? ? 1 +1328 C CB A LEU A 127 0.2282 0.8607 0.9146 0.1269 -0.0935 0.0255 137 LEU A CB ? ? 1 +1329 C CB B LEU A 127 0.2281 0.8603 0.9142 0.1270 -0.0935 0.0256 137 LEU A CB ? ? 1 +1330 C CG A LEU A 127 0.2146 0.8610 0.9115 0.1204 -0.0935 0.0240 137 LEU A CG ? ? 1 +1331 C CG B LEU A 127 0.2143 0.8605 0.9111 0.1204 -0.0935 0.0240 137 LEU A CG ? ? 1 +1332 C CD1 A LEU A 127 0.2108 0.8495 0.9011 0.1122 -0.0903 0.0271 137 LEU A CD1 ? ? 1 +1333 C CD1 B LEU A 127 0.2106 0.8490 0.9007 0.1122 -0.0902 0.0271 137 LEU A CD1 ? ? 1 +1334 C CD2 A LEU A 127 0.2164 0.8713 0.9167 0.1250 -0.0998 0.0222 137 LEU A CD2 ? ? 1 +1335 C CD2 B LEU A 127 0.2158 0.8707 0.9162 0.1248 -0.0997 0.0222 137 LEU A CD2 ? ? 1 +1336 N N A GLY A 128 0.2549 0.8754 0.9343 0.1464 -0.0957 0.0237 138 GLY A N ? ? 1 +1337 N N B GLY A 128 0.2545 0.8749 0.9338 0.1467 -0.0958 0.0237 138 GLY A N ? ? 1 +1338 C CA A GLY A 128 0.2713 0.8753 0.9378 0.1525 -0.0957 0.0257 138 GLY A CA ? ? 1 +1339 C CA B GLY A 128 0.2707 0.8743 0.9369 0.1526 -0.0956 0.0257 138 GLY A CA ? ? 1 +1340 C C A GLY A 128 0.2747 0.8628 0.9303 0.1461 -0.0903 0.0291 138 GLY A C ? ? 1 +1341 C C B GLY A 128 0.2737 0.8617 0.9293 0.1460 -0.0902 0.0291 138 GLY A C ? ? 1 +1342 O O A GLY A 128 0.2887 0.8596 0.9299 0.1489 -0.0903 0.0320 138 GLY A O ? ? 1 +1343 O O B GLY A 128 0.2876 0.8583 0.9287 0.1487 -0.0902 0.0321 138 GLY A O ? ? 1 +1344 N N A MET A 129 0.2624 0.8566 0.9252 0.1373 -0.0857 0.0286 139 MET A N ? ? 1 +1345 N N B MET A 129 0.2610 0.8554 0.9241 0.1373 -0.0856 0.0286 139 MET A N ? ? 1 +1346 C CA A MET A 129 0.2633 0.8453 0.9184 0.1303 -0.0805 0.0313 139 MET A CA ? ? 1 +1347 C CA B MET A 129 0.2616 0.8439 0.9171 0.1302 -0.0804 0.0312 139 MET A CA ? ? 1 +1348 C C A MET A 129 0.2654 0.8442 0.9215 0.1313 -0.0768 0.0300 139 MET A C ? ? 1 +1349 C C B MET A 129 0.2633 0.8426 0.9200 0.1311 -0.0767 0.0299 139 MET A C ? ? 1 +1350 O O A MET A 129 0.2637 0.8522 0.9287 0.1362 -0.0777 0.0269 139 MET A O ? ? 1 +1351 O O B MET A 129 0.2616 0.8507 0.9272 0.1359 -0.0775 0.0267 139 MET A O ? ? 1 +1352 C CB A MET A 129 0.2489 0.8394 0.9112 0.1205 -0.0778 0.0313 139 MET A CB ? ? 1 +1353 C CB B MET A 129 0.2470 0.8382 0.9099 0.1205 -0.0777 0.0312 139 MET A CB ? ? 1 +1354 C CG A MET A 129 0.2493 0.8363 0.9057 0.1171 -0.0794 0.0338 139 MET A CG ? ? 1 +1355 C CG B MET A 129 0.2474 0.8352 0.9046 0.1172 -0.0794 0.0336 139 MET A CG ? ? 1 +1356 S SD A MET A 129 0.2309 0.8324 0.8992 0.1076 -0.0773 0.0327 139 MET A SD ? ? 1 +1357 S SD B MET A 129 0.2290 0.8314 0.8981 0.1077 -0.0773 0.0325 139 MET A SD ? ? 1 +1358 C CE A MET A 129 0.2274 0.8211 0.8931 0.0999 -0.0708 0.0340 139 MET A CE ? ? 1 +1359 C CE B MET A 129 0.2260 0.8201 0.8920 0.1000 -0.0709 0.0339 139 MET A CE ? ? 1 +1360 N N A ARG A 130 0.2688 0.8343 0.9163 0.1262 -0.0727 0.0323 140 ARG A N ? ? 1 +1361 N N B ARG A 130 0.2667 0.8328 0.9147 0.1260 -0.0725 0.0322 140 ARG A N ? ? 1 +1362 C CA A ARG A 130 0.2685 0.8314 0.9174 0.1250 -0.0685 0.0311 140 ARG A CA ? ? 1 +1363 C CA B ARG A 130 0.2666 0.8299 0.9159 0.1248 -0.0684 0.0310 140 ARG A CA ? ? 1 +1364 C C A ARG A 130 0.2511 0.8284 0.9128 0.1178 -0.0656 0.0290 140 ARG A C ? ? 1 +1365 C C B ARG A 130 0.2490 0.8265 0.9110 0.1177 -0.0654 0.0289 140 ARG A C ? ? 1 +1366 O O A ARG A 130 0.2416 0.8259 0.9075 0.1124 -0.0659 0.0296 140 ARG A O ? ? 1 +1367 O O B ARG A 130 0.2396 0.8238 0.9056 0.1120 -0.0655 0.0295 140 ARG A O ? ? 1 +1368 C CB A ARG A 130 0.2794 0.8229 0.9143 0.1221 -0.0655 0.0342 140 ARG A CB ? ? 1 +1369 C CB B ARG A 130 0.2780 0.8218 0.9132 0.1221 -0.0655 0.0341 140 ARG A CB ? ? 1 +1370 C CG A ARG A 130 0.2980 0.8272 0.9213 0.1306 -0.0675 0.0352 140 ARG A CG ? ? 1 +1371 C CG B ARG A 130 0.2969 0.8264 0.9204 0.1306 -0.0676 0.0352 140 ARG A CG ? ? 1 +1372 C CD A ARG A 130 0.3102 0.8204 0.9181 0.1282 -0.0664 0.0391 140 ARG A CD ? ? 1 +1373 C CD B ARG A 130 0.3089 0.8194 0.9170 0.1278 -0.0664 0.0392 140 ARG A CD ? ? 1 +1374 N NE A ARG A 130 0.3077 0.8107 0.9128 0.1199 -0.0614 0.0401 140 ARG A NE ? ? 1 +1375 N NE B ARG A 130 0.3066 0.8100 0.9121 0.1197 -0.0613 0.0400 140 ARG A NE ? ? 1 +1376 C CZ A ARG A 130 0.3135 0.8087 0.9155 0.1202 -0.0586 0.0393 140 ARG A CZ ? ? 1 +1377 C CZ B ARG A 130 0.3129 0.8082 0.9149 0.1201 -0.0585 0.0393 140 ARG A CZ ? ? 1 +1378 N NH1 A ARG A 130 0.3225 0.8153 0.9232 0.1284 -0.0598 0.0377 140 ARG A NH1 ? ? 1 +1379 N NH1 B ARG A 130 0.3226 0.8148 0.9228 0.1284 -0.0598 0.0378 140 ARG A NH1 ? ? 1 +1380 N NH2 A ARG A 130 0.3106 0.8004 0.9106 0.1122 -0.0544 0.0399 140 ARG A NH2 ? ? 1 +1381 N NH2 B ARG A 130 0.3099 0.8001 0.9103 0.1121 -0.0543 0.0399 140 ARG A NH2 ? ? 1 +1382 N N A PRO A 131 0.2470 0.8291 0.9151 0.1180 -0.0627 0.0265 141 PRO A N ? ? 1 +1383 N N B PRO A 131 0.2445 0.8272 0.9131 0.1181 -0.0626 0.0264 141 PRO A N ? ? 1 +1384 C CA A PRO A 131 0.2320 0.8303 0.9138 0.1135 -0.0606 0.0239 141 PRO A CA ? ? 1 +1385 C CA B PRO A 131 0.2293 0.8281 0.9115 0.1136 -0.0605 0.0237 141 PRO A CA ? ? 1 +1386 C C A PRO A 131 0.2225 0.8203 0.9053 0.1042 -0.0561 0.0244 141 PRO A C ? ? 1 +1387 C C B PRO A 131 0.2196 0.8181 0.9029 0.1041 -0.0561 0.0244 141 PRO A C ? ? 1 +1388 O O A PRO A 131 0.2108 0.8214 0.9042 0.1003 -0.0544 0.0225 141 PRO A O ? ? 1 +1389 O O B PRO A 131 0.2076 0.8190 0.9014 0.1000 -0.0546 0.0225 141 PRO A O ? ? 1 +1390 C CB A PRO A 131 0.2350 0.8380 0.9223 0.1196 -0.0598 0.0207 141 PRO A CB ? ? 1 +1391 C CB B PRO A 131 0.2323 0.8357 0.9200 0.1195 -0.0596 0.0206 141 PRO A CB ? ? 1 +1392 C CG A PRO A 131 0.2498 0.8352 0.9242 0.1237 -0.0591 0.0223 141 PRO A CG ? ? 1 +1393 C CG B PRO A 131 0.2468 0.8327 0.9217 0.1233 -0.0588 0.0222 141 PRO A CG ? ? 1 +1394 C CD A PRO A 131 0.2583 0.8305 0.9205 0.1233 -0.0613 0.0260 141 PRO A CD ? ? 1 +1395 C CD B PRO A 131 0.2556 0.8286 0.9185 0.1234 -0.0613 0.0258 141 PRO A CD ? ? 1 +1396 N N A TRP A 132 0.2277 0.8109 0.8997 0.1005 -0.0541 0.0271 142 TRP A N ? ? 1 +1397 N N B TRP A 132 0.2250 0.8086 0.8974 0.1006 -0.0540 0.0269 142 TRP A N ? ? 1 +1398 C CA A TRP A 132 0.2216 0.8029 0.8940 0.0934 -0.0497 0.0270 142 TRP A CA ? ? 1 +1399 C CA B TRP A 132 0.2187 0.8005 0.8916 0.0935 -0.0496 0.0268 142 TRP A CA ? ? 1 +1400 C C A TRP A 132 0.2100 0.7946 0.8845 0.0847 -0.0483 0.0283 142 TRP A C ? ? 1 +1401 C C B TRP A 132 0.2073 0.7920 0.8818 0.0848 -0.0483 0.0282 142 TRP A C ? ? 1 +1402 O O A TRP A 132 0.2069 0.7885 0.8804 0.0790 -0.0450 0.0284 142 TRP A O ? ? 1 +1403 O O B TRP A 132 0.2041 0.7857 0.8776 0.0791 -0.0450 0.0284 142 TRP A O ? ? 1 +1404 C CB A TRP A 132 0.2339 0.7981 0.8946 0.0940 -0.0478 0.0284 142 TRP A CB ? ? 1 +1405 C CB B TRP A 132 0.2313 0.7960 0.8924 0.0942 -0.0478 0.0282 142 TRP A CB ? ? 1 +1406 C CG A TRP A 132 0.2435 0.8048 0.9030 0.1017 -0.0481 0.0266 142 TRP A CG ? ? 1 +1407 C CG B TRP A 132 0.2410 0.8029 0.9010 0.1021 -0.0481 0.0264 142 TRP A CG ? ? 1 +1408 C CD1 A TRP A 132 0.2394 0.8108 0.9077 0.1045 -0.0468 0.0234 142 TRP A CD1 ? ? 1 +1409 C CD1 B TRP A 132 0.2369 0.8088 0.9057 0.1049 -0.0468 0.0232 142 TRP A CD1 ? ? 1 +1410 C CD2 A TRP A 132 0.2593 0.8065 0.9079 0.1079 -0.0495 0.0278 142 TRP A CD2 ? ? 1 +1411 C CD2 B TRP A 132 0.2569 0.8045 0.9058 0.1082 -0.0495 0.0276 142 TRP A CD2 ? ? 1 +1412 N NE1 A TRP A 132 0.2512 0.8159 0.9151 0.1121 -0.0474 0.0224 142 TRP A NE1 ? ? 1 +1413 N NE1 B TRP A 132 0.2490 0.8140 0.9132 0.1126 -0.0474 0.0223 142 TRP A NE1 ? ? 1 +1414 C CE2 A TRP A 132 0.2637 0.8132 0.9152 0.1145 -0.0491 0.0252 142 TRP A CE2 ? ? 1 +1415 C CE2 B TRP A 132 0.2614 0.8112 0.9132 0.1148 -0.0492 0.0250 142 TRP A CE2 ? ? 1 +1416 C CE3 A TRP A 132 0.2708 0.8029 0.9069 0.1084 -0.0507 0.0309 142 TRP A CE3 ? ? 1 +1417 C CE3 B TRP A 132 0.2684 0.8009 0.9049 0.1086 -0.0507 0.0308 142 TRP A CE3 ? ? 1 +1418 C CZ2 A TRP A 132 0.2791 0.8164 0.9216 0.1218 -0.0503 0.0256 142 TRP A CZ2 ? ? 1 +1419 C CZ2 B TRP A 132 0.2769 0.8144 0.9196 0.1222 -0.0503 0.0254 142 TRP A CZ2 ? ? 1 +1420 C CZ3 A TRP A 132 0.2863 0.8058 0.9131 0.1155 -0.0517 0.0314 142 TRP A CZ3 ? ? 1 +1421 C CZ3 B TRP A 132 0.2840 0.8038 0.9110 0.1156 -0.0517 0.0313 142 TRP A CZ3 ? ? 1 +1422 C CH2 A TRP A 132 0.2903 0.8124 0.9202 0.1222 -0.0517 0.0287 142 TRP A CH2 ? ? 1 +1423 C CH2 B TRP A 132 0.2881 0.8105 0.9182 0.1225 -0.0517 0.0286 142 TRP A CH2 ? ? 1 +1424 N N A ILE A 133 0.2042 0.7952 0.8815 0.0838 -0.0509 0.0291 143 ILE A N ? ? 1 +1425 N N B ILE A 133 0.2014 0.7924 0.8788 0.0839 -0.0509 0.0290 143 ILE A N ? ? 1 +1426 C CA A ILE A 133 0.1934 0.7885 0.8734 0.0759 -0.0496 0.0301 143 ILE A CA ? ? 1 +1427 C CA B ILE A 133 0.1904 0.7858 0.8707 0.0761 -0.0496 0.0300 143 ILE A CA ? ? 1 +1428 C C A ILE A 133 0.1811 0.7875 0.8712 0.0718 -0.0468 0.0277 143 ILE A C ? ? 1 +1429 C C B ILE A 133 0.1781 0.7850 0.8685 0.0720 -0.0469 0.0276 143 ILE A C ? ? 1 +1430 O O A ILE A 133 0.1751 0.7808 0.8652 0.0651 -0.0442 0.0284 143 ILE A O ? ? 1 +1431 O O B ILE A 133 0.1722 0.7784 0.8626 0.0653 -0.0443 0.0283 143 ILE A O ? ? 1 +1432 C CB A ILE A 133 0.1908 0.7910 0.8721 0.0762 -0.0530 0.0312 143 ILE A CB ? ? 1 +1433 C CB B ILE A 133 0.1878 0.7882 0.8693 0.0763 -0.0531 0.0311 143 ILE A CB ? ? 1 +1434 C CG1 A ILE A 133 0.2019 0.7881 0.8709 0.0776 -0.0546 0.0343 143 ILE A CG1 ? ? 1 +1435 C CG1 B ILE A 133 0.1987 0.7850 0.8678 0.0775 -0.0545 0.0343 143 ILE A CG1 ? ? 1 +1436 C CG2 A ILE A 133 0.1784 0.7872 0.8660 0.0689 -0.0518 0.0311 143 ILE A CG2 ? ? 1 +1437 C CG2 B ILE A 133 0.1753 0.7847 0.8633 0.0692 -0.0519 0.0310 143 ILE A CG2 ? ? 1 +1438 C CD1 A ILE A 133 0.2010 0.7908 0.8698 0.0784 -0.0581 0.0354 143 ILE A CD1 ? ? 1 +1439 C CD1 B ILE A 133 0.1987 0.7884 0.8674 0.0790 -0.0583 0.0353 143 ILE A CD1 ? ? 1 +1440 N N A CYS A 134 0.1777 0.7942 0.8761 0.0761 -0.0473 0.0249 144 CYS A N ? ? 1 +1441 N N B CYS A 134 0.1749 0.7920 0.8737 0.0763 -0.0473 0.0248 144 CYS A N ? ? 1 +1442 C CA A CYS A 134 0.1672 0.7948 0.8752 0.0729 -0.0444 0.0225 144 CYS A CA ? ? 1 +1443 C CA B CYS A 134 0.1647 0.7926 0.8730 0.0731 -0.0444 0.0224 144 CYS A CA ? ? 1 +1444 C C A CYS A 134 0.1683 0.7887 0.8725 0.0702 -0.0405 0.0223 144 CYS A C ? ? 1 +1445 C C B CYS A 134 0.1657 0.7863 0.8701 0.0702 -0.0405 0.0222 144 CYS A C ? ? 1 +1446 O O A CYS A 134 0.1606 0.7866 0.8696 0.0654 -0.0377 0.0212 144 CYS A O ? ? 1 +1447 O O B CYS A 134 0.1581 0.7840 0.8670 0.0652 -0.0377 0.0213 144 CYS A O ? ? 1 +1448 C CB A CYS A 134 0.1661 0.8056 0.8837 0.0785 -0.0456 0.0194 144 CYS A CB ? ? 1 +1449 C CB B CYS A 134 0.1637 0.8035 0.8816 0.0788 -0.0455 0.0193 144 CYS A CB ? ? 1 +1450 S SG A CYS A 134 0.1776 0.8110 0.8919 0.0867 -0.0452 0.0180 144 CYS A SG ? ? 1 +1451 S SG B CYS A 134 0.1754 0.8086 0.8896 0.0869 -0.0451 0.0179 144 CYS A SG ? ? 1 +1452 N N A VAL A 135 0.1786 0.7862 0.8736 0.0734 -0.0404 0.0232 145 VAL A N ? ? 1 +1453 N N B VAL A 135 0.1763 0.7843 0.8717 0.0736 -0.0404 0.0231 145 VAL A N ? ? 1 +1454 C CA A VAL A 135 0.1814 0.7809 0.8717 0.0711 -0.0371 0.0229 145 VAL A CA ? ? 1 +1455 C CA B VAL A 135 0.1793 0.7791 0.8698 0.0712 -0.0370 0.0228 145 VAL A CA ? ? 1 +1456 C C A VAL A 135 0.1771 0.7711 0.8631 0.0633 -0.0356 0.0249 145 VAL A C ? ? 1 +1457 C C B VAL A 135 0.1752 0.7694 0.8613 0.0634 -0.0356 0.0248 145 VAL A C ? ? 1 +1458 O O A VAL A 135 0.1745 0.7672 0.8603 0.0593 -0.0327 0.0242 145 VAL A O ? ? 1 +1459 O O B VAL A 135 0.1728 0.7655 0.8587 0.0594 -0.0327 0.0241 145 VAL A O ? ? 1 +1460 C CB A VAL A 135 0.1952 0.7821 0.8766 0.0768 -0.0375 0.0233 145 VAL A CB ? ? 1 +1461 C CB B VAL A 135 0.1932 0.7802 0.8748 0.0769 -0.0375 0.0232 145 VAL A CB ? ? 1 +1462 C CG1 A VAL A 135 0.1995 0.7761 0.8745 0.0736 -0.0343 0.0232 145 VAL A CG1 ? ? 1 +1463 C CG1 B VAL A 135 0.1975 0.7744 0.8728 0.0738 -0.0342 0.0231 145 VAL A CG1 ? ? 1 +1464 C CG2 A VAL A 135 0.1989 0.7920 0.8854 0.0848 -0.0386 0.0208 145 VAL A CG2 ? ? 1 +1465 C CG2 B VAL A 135 0.1970 0.7902 0.8836 0.0850 -0.0386 0.0208 145 VAL A CG2 ? ? 1 +1466 N N A ALA A 136 0.1762 0.7673 0.8588 0.0614 -0.0376 0.0273 146 ALA A N ? ? 1 +1467 N N B ALA A 136 0.1748 0.7659 0.8574 0.0615 -0.0376 0.0273 146 ALA A N ? ? 1 +1468 C CA A ALA A 136 0.1719 0.7590 0.8513 0.0542 -0.0364 0.0291 146 ALA A CA ? ? 1 +1469 C CA B ALA A 136 0.1707 0.7578 0.8502 0.0542 -0.0364 0.0291 146 ALA A CA ? ? 1 +1470 C C A ALA A 136 0.1585 0.7577 0.8467 0.0492 -0.0352 0.0281 146 ALA A C ? ? 1 +1471 C C B ALA A 136 0.1573 0.7566 0.8456 0.0493 -0.0352 0.0280 146 ALA A C ? ? 1 +1472 O O A ALA A 136 0.1543 0.7521 0.8419 0.0437 -0.0331 0.0282 146 ALA A O ? ? 1 +1473 O O B ALA A 136 0.1532 0.7510 0.8408 0.0437 -0.0331 0.0282 146 ALA A O ? ? 1 +1474 C CB A ALA A 136 0.1756 0.7568 0.8493 0.0539 -0.0386 0.0319 146 ALA A CB ? ? 1 +1475 C CB B ALA A 136 0.1746 0.7555 0.8481 0.0539 -0.0386 0.0318 146 ALA A CB ? ? 1 +1476 N N A TYR A 137 0.1520 0.7629 0.8482 0.0515 -0.0368 0.0268 147 TYR A N ? ? 1 +1477 N N B TYR A 137 0.1511 0.7620 0.8473 0.0515 -0.0368 0.0269 147 TYR A N ? ? 1 +1478 C CA A TYR A 137 0.1400 0.7623 0.8446 0.0472 -0.0357 0.0258 147 TYR A CA ? ? 1 +1479 C CA B TYR A 137 0.1393 0.7617 0.8439 0.0472 -0.0357 0.0258 147 TYR A CA ? ? 1 +1480 C C A TYR A 137 0.1365 0.7629 0.8453 0.0460 -0.0325 0.0236 147 TYR A C ? ? 1 +1481 C C B TYR A 137 0.1361 0.7626 0.8449 0.0460 -0.0325 0.0235 147 TYR A C ? ? 1 +1482 O O A TYR A 137 0.1282 0.7608 0.8414 0.0413 -0.0308 0.0230 147 TYR A O ? ? 1 +1483 O O B TYR A 137 0.1277 0.7604 0.8409 0.0413 -0.0308 0.0230 147 TYR A O ? ? 1 +1484 C CB A TYR A 137 0.1359 0.7691 0.8477 0.0500 -0.0384 0.0249 147 TYR A CB ? ? 1 +1485 C CB B TYR A 137 0.1351 0.7684 0.8470 0.0499 -0.0383 0.0249 147 TYR A CB ? ? 1 +1486 C CG A TYR A 137 0.1248 0.7701 0.8456 0.0459 -0.0373 0.0236 147 TYR A CG ? ? 1 +1487 C CG B TYR A 137 0.1241 0.7694 0.8449 0.0458 -0.0372 0.0236 147 TYR A CG ? ? 1 +1488 C CD1 A TYR A 137 0.1185 0.7641 0.8387 0.0399 -0.0369 0.0251 147 TYR A CD1 ? ? 1 +1489 C CD1 B TYR A 137 0.1177 0.7635 0.8380 0.0398 -0.0368 0.0251 147 TYR A CD1 ? ? 1 +1490 C CD2 A TYR A 137 0.1211 0.7771 0.8508 0.0479 -0.0364 0.0209 147 TYR A CD2 ? ? 1 +1491 C CD2 B TYR A 137 0.1203 0.7765 0.8501 0.0479 -0.0364 0.0209 147 TYR A CD2 ? ? 1 +1492 C CE1 A TYR A 137 0.1093 0.7651 0.8371 0.0362 -0.0358 0.0239 147 TYR A CE1 ? ? 1 +1493 C CE1 B TYR A 137 0.1086 0.7644 0.8364 0.0361 -0.0358 0.0239 147 TYR A CE1 ? ? 1 +1494 C CE2 A TYR A 137 0.1118 0.7782 0.8493 0.0439 -0.0351 0.0197 147 TYR A CE2 ? ? 1 +1495 C CE2 B TYR A 137 0.1110 0.7775 0.8486 0.0438 -0.0351 0.0197 147 TYR A CE2 ? ? 1 +1496 C CZ A TYR A 137 0.1061 0.7720 0.8423 0.0381 -0.0349 0.0213 147 TYR A CZ ? ? 1 +1497 C CZ B TYR A 137 0.1054 0.7713 0.8416 0.0380 -0.0349 0.0212 147 TYR A CZ ? ? 1 +1498 O OH A TYR A 137 0.0978 0.7730 0.8410 0.0342 -0.0336 0.0201 147 TYR A OH ? ? 1 +1499 O OH B TYR A 137 0.0969 0.7722 0.8402 0.0341 -0.0336 0.0201 147 TYR A OH ? ? 1 +1500 N N . SER A 138 0.1435 0.7658 0.8501 0.0505 -0.0316 0.0223 148 SER A N ? ? 1 +1501 C CA . SER A 138 0.1417 0.7667 0.8512 0.0499 -0.0283 0.0201 148 SER A CA ? ? 1 +1502 C CB . SER A 138 0.1508 0.7710 0.8577 0.0560 -0.0277 0.0187 148 SER A CB ? ? 1 +1503 O OG . SER A 138 0.1597 0.7658 0.8564 0.0561 -0.0275 0.0200 148 SER A OG ? ? 1 +1504 C C . SER A 138 0.1398 0.7590 0.8448 0.0437 -0.0259 0.0208 148 SER A C ? ? 1 +1505 O O . SER A 138 0.1358 0.7591 0.8439 0.0415 -0.0232 0.0193 148 SER A O ? ? 1 +1506 N N A ALA A 139 0.1428 0.7526 0.8407 0.0410 -0.0270 0.0231 149 ALA A N ? ? 1 +1507 N N B ALA A 139 0.1429 0.7527 0.8407 0.0410 -0.0270 0.0231 149 ALA A N ? ? 1 +1508 C CA A ALA A 139 0.1417 0.7459 0.8354 0.0353 -0.0253 0.0237 149 ALA A CA ? ? 1 +1509 C CA B ALA A 139 0.1419 0.7460 0.8355 0.0353 -0.0253 0.0237 149 ALA A CA ? ? 1 +1510 C C A ALA A 139 0.1310 0.7438 0.8302 0.0300 -0.0246 0.0237 149 ALA A C ? ? 1 +1511 C C B ALA A 139 0.1311 0.7438 0.8302 0.0301 -0.0246 0.0237 149 ALA A C ? ? 1 +1512 O O A ALA A 139 0.1281 0.7428 0.8285 0.0274 -0.0223 0.0225 149 ALA A O ? ? 1 +1513 O O B ALA A 139 0.1283 0.7429 0.8286 0.0274 -0.0223 0.0225 149 ALA A O ? ? 1 +1514 C CB A ALA A 139 0.1476 0.7406 0.8332 0.0336 -0.0265 0.0259 149 ALA A CB ? ? 1 +1515 C CB B ALA A 139 0.1479 0.7407 0.8334 0.0337 -0.0265 0.0259 149 ALA A CB ? ? 1 +1516 N N A PRO A 140 0.1259 0.7434 0.8278 0.0286 -0.0265 0.0251 150 PRO A N ? ? 1 +1517 N N B PRO A 140 0.1257 0.7433 0.8277 0.0286 -0.0265 0.0251 150 PRO A N ? ? 1 +1518 C CA A PRO A 140 0.1165 0.7426 0.8240 0.0242 -0.0259 0.0250 150 PRO A CA ? ? 1 +1519 C CA B PRO A 140 0.1165 0.7426 0.8240 0.0242 -0.0258 0.0250 150 PRO A CA ? ? 1 +1520 C C A PRO A 140 0.1126 0.7487 0.8276 0.0254 -0.0242 0.0227 150 PRO A C ? ? 1 +1521 C C B PRO A 140 0.1127 0.7488 0.8277 0.0254 -0.0242 0.0227 150 PRO A C ? ? 1 +1522 O O A PRO A 140 0.1075 0.7474 0.8249 0.0217 -0.0222 0.0220 150 PRO A O ? ? 1 +1523 O O B PRO A 140 0.1077 0.7478 0.8252 0.0217 -0.0222 0.0220 150 PRO A O ? ? 1 +1524 C CB A PRO A 140 0.1135 0.7421 0.8221 0.0240 -0.0285 0.0267 150 PRO A CB ? ? 1 +1525 C CB B PRO A 140 0.1134 0.7419 0.8219 0.0238 -0.0284 0.0267 150 PRO A CB ? ? 1 +1526 C CG A PRO A 140 0.1215 0.7446 0.8263 0.0292 -0.0305 0.0273 150 PRO A CG ? ? 1 +1527 C CG B PRO A 140 0.1210 0.7443 0.8259 0.0289 -0.0305 0.0274 150 PRO A CG ? ? 1 +1528 C CD A PRO A 140 0.1296 0.7435 0.8286 0.0310 -0.0292 0.0269 150 PRO A CD ? ? 1 +1529 C CD B PRO A 140 0.1293 0.7434 0.8284 0.0309 -0.0292 0.0269 150 PRO A CD ? ? 1 +1530 N N . LEU A 141 0.1156 0.7559 0.8343 0.0307 -0.0249 0.0214 151 LEU A N ? ? 1 +1531 C CA . LEU A 141 0.1125 0.7629 0.8391 0.0319 -0.0231 0.0190 151 LEU A CA ? ? 1 +1532 C CB . LEU A 141 0.1159 0.7710 0.8467 0.0382 -0.0247 0.0177 151 LEU A CB ? ? 1 +1533 C CG . LEU A 141 0.1122 0.7787 0.8524 0.0397 -0.0228 0.0150 151 LEU A CG ? ? 1 +1534 C CD1 . LEU A 141 0.1034 0.7794 0.8502 0.0354 -0.0226 0.0148 151 LEU A CD1 ? ? 1 +1535 C CD2 . LEU A 141 0.1165 0.7869 0.8604 0.0462 -0.0247 0.0137 151 LEU A CD2 ? ? 1 +1536 C C . LEU A 141 0.1156 0.7637 0.8407 0.0310 -0.0195 0.0176 151 LEU A C ? ? 1 +1537 O O . LEU A 141 0.1106 0.7648 0.8399 0.0283 -0.0171 0.0164 151 LEU A O ? ? 1 +1538 N N A ALA A 142 0.1241 0.7626 0.8424 0.0333 -0.0191 0.0176 152 ALA A N ? ? 1 +1539 N N B ALA A 142 0.1245 0.7630 0.8428 0.0333 -0.0191 0.0176 152 ALA A N ? ? 1 +1540 C CA A ALA A 142 0.1280 0.7628 0.8434 0.0326 -0.0160 0.0162 152 ALA A CA ? ? 1 +1541 C CA B ALA A 142 0.1287 0.7635 0.8441 0.0327 -0.0160 0.0162 152 ALA A CA ? ? 1 +1542 C C A ALA A 142 0.1244 0.7576 0.8375 0.0264 -0.0147 0.0169 152 ALA A C ? ? 1 +1543 C C B ALA A 142 0.1251 0.7584 0.8383 0.0266 -0.0147 0.0169 152 ALA A C ? ? 1 +1544 O O A ALA A 142 0.1237 0.7586 0.8372 0.0250 -0.0119 0.0156 152 ALA A O ? ? 1 +1545 O O B ALA A 142 0.1245 0.7594 0.8381 0.0251 -0.0118 0.0155 152 ALA A O ? ? 1 +1546 C CB A ALA A 142 0.1379 0.7613 0.8454 0.0357 -0.0163 0.0163 152 ALA A CB ? ? 1 +1547 C CB B ALA A 142 0.1390 0.7624 0.8465 0.0358 -0.0163 0.0163 152 ALA A CB ? ? 1 +1548 N N A SER A 143 0.1226 0.7528 0.8330 0.0231 -0.0168 0.0190 153 SER A N ? ? 1 +1549 N N B SER A 143 0.1233 0.7535 0.8338 0.0231 -0.0168 0.0190 153 SER A N ? ? 1 +1550 C CA A SER A 143 0.1196 0.7483 0.8279 0.0175 -0.0161 0.0197 153 SER A CA ? ? 1 +1551 C CA B SER A 143 0.1203 0.7491 0.8286 0.0176 -0.0161 0.0197 153 SER A CA ? ? 1 +1552 C C A SER A 143 0.1129 0.7515 0.8276 0.0152 -0.0146 0.0190 153 SER A C ? ? 1 +1553 C C B SER A 143 0.1132 0.7517 0.8279 0.0151 -0.0147 0.0191 153 SER A C ? ? 1 +1554 O O A SER A 143 0.1119 0.7505 0.8256 0.0124 -0.0125 0.0184 153 SER A O ? ? 1 +1555 O O B SER A 143 0.1122 0.7506 0.8257 0.0121 -0.0127 0.0186 153 SER A O ? ? 1 +1556 C CB A SER A 143 0.1184 0.7426 0.8233 0.0147 -0.0186 0.0220 153 SER A CB ? ? 1 +1557 C CB B SER A 143 0.1198 0.7435 0.8244 0.0148 -0.0185 0.0219 153 SER A CB ? ? 1 +1558 O OG A SER A 143 0.1260 0.7403 0.8244 0.0161 -0.0196 0.0226 153 SER A OG ? ? 1 +1559 O OG B SER A 143 0.1276 0.7415 0.8258 0.0165 -0.0194 0.0225 153 SER A OG ? ? 1 +1560 N N A ALA A 144 0.1095 0.7560 0.8306 0.0164 -0.0158 0.0191 154 ALA A N ? ? 1 +1561 N N B ALA A 144 0.1096 0.7562 0.8308 0.0164 -0.0158 0.0191 154 ALA A N ? ? 1 +1562 C CA A ALA A 144 0.1037 0.7596 0.8313 0.0142 -0.0144 0.0184 154 ALA A CA ? ? 1 +1563 C CA B ALA A 144 0.1034 0.7593 0.8311 0.0142 -0.0144 0.0184 154 ALA A CA ? ? 1 +1564 C C A ALA A 144 0.1059 0.7655 0.8363 0.0154 -0.0108 0.0161 154 ALA A C ? ? 1 +1565 C C B ALA A 144 0.1052 0.7649 0.8357 0.0154 -0.0108 0.0161 154 ALA A C ? ? 1 +1566 O O A ALA A 144 0.1030 0.7657 0.8348 0.0122 -0.0084 0.0156 154 ALA A O ? ? 1 +1567 O O B ALA A 144 0.1025 0.7651 0.8342 0.0121 -0.0084 0.0156 154 ALA A O ? ? 1 +1568 C CB A ALA A 144 0.1001 0.7636 0.8341 0.0157 -0.0166 0.0185 154 ALA A CB ? ? 1 +1569 C CB B ALA A 144 0.1000 0.7635 0.8339 0.0157 -0.0166 0.0185 154 ALA A CB ? ? 1 +1570 N N A PHE A 145 0.1118 0.7707 0.8426 0.0201 -0.0102 0.0147 155 PHE A N ? ? 1 +1571 N N B PHE A 145 0.1105 0.7696 0.8416 0.0201 -0.0102 0.0147 155 PHE A N ? ? 1 +1572 C CA A PHE A 145 0.1147 0.7765 0.8477 0.0216 -0.0065 0.0125 155 PHE A CA ? ? 1 +1573 C CA B PHE A 145 0.1132 0.7750 0.8463 0.0216 -0.0065 0.0125 155 PHE A CA ? ? 1 +1574 C C A PHE A 145 0.1174 0.7718 0.8433 0.0187 -0.0042 0.0125 155 PHE A C ? ? 1 +1575 C C B PHE A 145 0.1156 0.7702 0.8416 0.0187 -0.0041 0.0125 155 PHE A C ? ? 1 +1576 O O A PHE A 145 0.1161 0.7735 0.8432 0.0169 -0.0009 0.0115 155 PHE A O ? ? 1 +1577 O O B PHE A 145 0.1146 0.7720 0.8418 0.0171 -0.0008 0.0113 155 PHE A O ? ? 1 +1578 C CB A PHE A 145 0.1214 0.7826 0.8553 0.0276 -0.0065 0.0111 155 PHE A CB ? ? 1 +1579 C CB B PHE A 145 0.1199 0.7812 0.8539 0.0277 -0.0065 0.0110 155 PHE A CB ? ? 1 +1580 C CG A PHE A 145 0.1193 0.7914 0.8628 0.0309 -0.0069 0.0096 155 PHE A CG ? ? 1 +1581 C CG B PHE A 145 0.1176 0.7898 0.8611 0.0309 -0.0069 0.0096 155 PHE A CG ? ? 1 +1582 C CD1 A PHE A 145 0.1186 0.7991 0.8688 0.0313 -0.0033 0.0073 155 PHE A CD1 ? ? 1 +1583 C CD1 B PHE A 145 0.1170 0.7975 0.8672 0.0313 -0.0033 0.0073 155 PHE A CD1 ? ? 1 +1584 C CD2 A PHE A 145 0.1190 0.7931 0.8647 0.0335 -0.0108 0.0104 155 PHE A CD2 ? ? 1 +1585 C CD2 B PHE A 145 0.1172 0.7914 0.8630 0.0334 -0.0108 0.0104 155 PHE A CD2 ? ? 1 +1586 C CE1 A PHE A 145 0.1165 0.8078 0.8763 0.0342 -0.0038 0.0056 155 PHE A CE1 ? ? 1 +1587 C CE1 B PHE A 145 0.1148 0.8062 0.8747 0.0342 -0.0038 0.0056 155 PHE A CE1 ? ? 1 +1588 C CE2 A PHE A 145 0.1174 0.8019 0.8721 0.0366 -0.0116 0.0088 155 PHE A CE2 ? ? 1 +1589 C CE2 B PHE A 145 0.1156 0.8002 0.8704 0.0365 -0.0116 0.0088 155 PHE A CE2 ? ? 1 +1590 C CZ A PHE A 145 0.1158 0.8092 0.8779 0.0369 -0.0082 0.0063 155 PHE A CZ ? ? 1 +1591 C CZ B PHE A 145 0.1140 0.8076 0.8763 0.0368 -0.0082 0.0063 155 PHE A CZ ? ? 1 +1592 N N A ALA A 146 0.1214 0.7661 0.8397 0.0182 -0.0061 0.0138 156 ALA A N ? ? 1 +1593 N N B ALA A 146 0.1193 0.7641 0.8376 0.0181 -0.0060 0.0138 156 ALA A N ? ? 1 +1594 C CA A ALA A 146 0.1252 0.7623 0.8363 0.0158 -0.0046 0.0136 156 ALA A CA ? ? 1 +1595 C CA B ALA A 146 0.1229 0.7601 0.8340 0.0158 -0.0045 0.0136 156 ALA A CA ? ? 1 +1596 C C A ALA A 146 0.1200 0.7599 0.8314 0.0111 -0.0032 0.0140 156 ALA A C ? ? 1 +1597 C C B ALA A 146 0.1177 0.7576 0.8290 0.0110 -0.0031 0.0140 156 ALA A C ? ? 1 +1598 O O A ALA A 146 0.1225 0.7607 0.8311 0.0102 -0.0004 0.0129 156 ALA A O ? ? 1 +1599 O O B ALA A 146 0.1201 0.7583 0.8286 0.0101 -0.0003 0.0129 156 ALA A O ? ? 1 +1600 C CB A ALA A 146 0.1290 0.7564 0.8331 0.0152 -0.0073 0.0150 156 ALA A CB ? ? 1 +1601 C CB B ALA A 146 0.1270 0.7544 0.8311 0.0152 -0.0071 0.0149 156 ALA A CB ? ? 1 +1602 N N A VAL A 147 0.1136 0.7573 0.8279 0.0083 -0.0052 0.0155 157 VAL A N ? ? 1 +1603 N N B VAL A 147 0.1112 0.7548 0.8254 0.0082 -0.0052 0.0155 157 VAL A N ? ? 1 +1604 C CA A VAL A 147 0.1103 0.7548 0.8235 0.0038 -0.0045 0.0162 157 VAL A CA ? ? 1 +1605 C CA B VAL A 147 0.1078 0.7524 0.8210 0.0037 -0.0045 0.0162 157 VAL A CA ? ? 1 +1606 C C A VAL A 147 0.1062 0.7595 0.8257 0.0026 -0.0021 0.0155 157 VAL A C ? ? 1 +1607 C C B VAL A 147 0.1039 0.7573 0.8235 0.0026 -0.0021 0.0155 157 VAL A C ? ? 1 +1608 O O A VAL A 147 0.1046 0.7581 0.8227 -0.0007 -0.0007 0.0158 157 VAL A O ? ? 1 +1609 O O B VAL A 147 0.1025 0.7560 0.8205 -0.0006 -0.0005 0.0157 157 VAL A O ? ? 1 +1610 C CB A VAL A 147 0.1066 0.7492 0.8185 0.0010 -0.0079 0.0183 157 VAL A CB ? ? 1 +1611 C CB B VAL A 147 0.1043 0.7470 0.8162 0.0010 -0.0079 0.0183 157 VAL A CB ? ? 1 +1612 C CG1 A VAL A 147 0.1114 0.7449 0.8168 0.0013 -0.0098 0.0189 157 VAL A CG1 ? ? 1 +1613 C CG1 B VAL A 147 0.1090 0.7425 0.8143 0.0011 -0.0098 0.0189 157 VAL A CG1 ? ? 1 +1614 C CG2 A VAL A 147 0.1019 0.7509 0.8200 0.0020 -0.0098 0.0191 157 VAL A CG2 ? ? 1 +1615 C CG2 B VAL A 147 0.0997 0.7486 0.8177 0.0019 -0.0099 0.0191 157 VAL A CG2 ? ? 1 +1616 N N A PHE A 148 0.1053 0.7659 0.8320 0.0052 -0.0018 0.0146 158 PHE A N ? ? 1 +1617 N N B PHE A 148 0.1029 0.7636 0.8297 0.0052 -0.0018 0.0146 158 PHE A N ? ? 1 +1618 C CA A PHE A 148 0.1013 0.7708 0.8349 0.0039 0.0005 0.0137 158 PHE A CA ? ? 1 +1619 C CA B PHE A 148 0.0991 0.7687 0.8328 0.0040 0.0005 0.0136 158 PHE A CA ? ? 1 +1620 C C A PHE A 148 0.1050 0.7774 0.8409 0.0060 0.0046 0.0114 158 PHE A C ? ? 1 +1621 C C B PHE A 148 0.1026 0.7753 0.8389 0.0061 0.0046 0.0114 158 PHE A C ? ? 1 +1622 O O A PHE A 148 0.1039 0.7812 0.8430 0.0039 0.0079 0.0105 158 PHE A O ? ? 1 +1623 O O B PHE A 148 0.1012 0.7795 0.8414 0.0041 0.0077 0.0105 158 PHE A O ? ? 1 +1624 C CB A PHE A 148 0.0969 0.7740 0.8380 0.0048 -0.0020 0.0139 158 PHE A CB ? ? 1 +1625 C CB B PHE A 148 0.0949 0.7720 0.8360 0.0049 -0.0021 0.0139 158 PHE A CB ? ? 1 +1626 C CG A PHE A 148 0.0932 0.7686 0.8326 0.0022 -0.0055 0.0160 158 PHE A CG ? ? 1 +1627 C CG B PHE A 148 0.0914 0.7669 0.8309 0.0022 -0.0055 0.0160 158 PHE A CG ? ? 1 +1628 C CD1 A PHE A 148 0.0913 0.7639 0.8270 -0.0020 -0.0051 0.0172 158 PHE A CD1 ? ? 1 +1629 C CD1 B PHE A 148 0.0894 0.7623 0.8253 -0.0020 -0.0050 0.0171 158 PHE A CD1 ? ? 1 +1630 C CD2 A PHE A 148 0.0922 0.7689 0.8337 0.0042 -0.0090 0.0168 158 PHE A CD2 ? ? 1 +1631 C CD2 B PHE A 148 0.0905 0.7672 0.8320 0.0042 -0.0090 0.0168 158 PHE A CD2 ? ? 1 +1632 C CE1 A PHE A 148 0.0877 0.7591 0.8222 -0.0042 -0.0080 0.0190 158 PHE A CE1 ? ? 1 +1633 C CE1 B PHE A 148 0.0858 0.7575 0.8205 -0.0042 -0.0079 0.0190 158 PHE A CE1 ? ? 1 +1634 C CE2 A PHE A 148 0.0889 0.7640 0.8286 0.0018 -0.0118 0.0187 158 PHE A CE2 ? ? 1 +1635 C CE2 B PHE A 148 0.0873 0.7624 0.8270 0.0018 -0.0118 0.0188 158 PHE A CE2 ? ? 1 +1636 C CZ A PHE A 148 0.0863 0.7591 0.8229 -0.0024 -0.0112 0.0198 158 PHE A CZ ? ? 1 +1637 C CZ B PHE A 148 0.0844 0.7573 0.8211 -0.0024 -0.0111 0.0197 158 PHE A CZ ? ? 1 +1638 N N A LEU A 149 0.1099 0.7788 0.8438 0.0101 0.0048 0.0104 159 LEU A N ? ? 1 +1639 N N B LEU A 149 0.1074 0.7764 0.8414 0.0101 0.0049 0.0104 159 LEU A N ? ? 1 +1640 C CA A LEU A 149 0.1131 0.7854 0.8499 0.0128 0.0087 0.0082 159 LEU A CA ? ? 1 +1641 C CA B LEU A 149 0.1104 0.7829 0.8474 0.0128 0.0088 0.0081 159 LEU A CA ? ? 1 +1642 C C A LEU A 149 0.1204 0.7838 0.8490 0.0143 0.0107 0.0075 159 LEU A C ? ? 1 +1643 C C B LEU A 149 0.1177 0.7814 0.8466 0.0143 0.0108 0.0074 159 LEU A C ? ? 1 +1644 O O A LEU A 149 0.1228 0.7853 0.8490 0.0129 0.0146 0.0065 159 LEU A O ? ? 1 +1645 O O B LEU A 149 0.1201 0.7831 0.8469 0.0131 0.0148 0.0064 159 LEU A O ? ? 1 +1646 C CB A LEU A 149 0.1129 0.7917 0.8571 0.0175 0.0074 0.0069 159 LEU A CB ? ? 1 +1647 C CB B LEU A 149 0.1101 0.7893 0.8546 0.0175 0.0075 0.0069 159 LEU A CB ? ? 1 +1648 C CG A LEU A 149 0.1157 0.8008 0.8654 0.0203 0.0116 0.0043 159 LEU A CG ? ? 1 +1649 C CG B LEU A 149 0.1128 0.7981 0.8628 0.0205 0.0116 0.0042 159 LEU A CG ? ? 1 +1650 C CD1 A LEU A 149 0.1114 0.8046 0.8671 0.0166 0.0150 0.0035 159 LEU A CD1 ? ? 1 +1651 C CD1 B LEU A 149 0.1092 0.8023 0.8649 0.0169 0.0153 0.0033 159 LEU A CD1 ? ? 1 +1652 C CD2 A LEU A 149 0.1161 0.8070 0.8725 0.0255 0.0096 0.0031 159 LEU A CD2 ? ? 1 +1653 C CD2 B LEU A 149 0.1130 0.8044 0.8699 0.0256 0.0095 0.0031 159 LEU A CD2 ? ? 1 +1654 N N A ILE A 150 0.1244 0.7808 0.8483 0.0170 0.0081 0.0079 160 ILE A N ? ? 1 +1655 N N B ILE A 150 0.1218 0.7782 0.8456 0.0169 0.0081 0.0079 160 ILE A N ? ? 1 +1656 C CA A ILE A 150 0.1326 0.7806 0.8490 0.0190 0.0098 0.0069 160 ILE A CA ? ? 1 +1657 C CA B ILE A 150 0.1301 0.7781 0.8465 0.0189 0.0097 0.0069 160 ILE A CA ? ? 1 +1658 C C A ILE A 150 0.1348 0.7765 0.8436 0.0151 0.0112 0.0073 160 ILE A C ? ? 1 +1659 C C B ILE A 150 0.1322 0.7736 0.8408 0.0150 0.0111 0.0074 160 ILE A C ? ? 1 +1660 O O A ILE A 150 0.1396 0.7788 0.8449 0.0156 0.0148 0.0059 160 ILE A O ? ? 1 +1661 O O B ILE A 150 0.1371 0.7756 0.8418 0.0157 0.0145 0.0060 160 ILE A O ? ? 1 +1662 C CB A ILE A 150 0.1370 0.7776 0.8490 0.0220 0.0065 0.0075 160 ILE A CB ? ? 1 +1663 C CB B ILE A 150 0.1349 0.7756 0.8470 0.0220 0.0065 0.0075 160 ILE A CB ? ? 1 +1664 C CG1 A ILE A 150 0.1355 0.7820 0.8545 0.0262 0.0046 0.0072 160 ILE A CG1 ? ? 1 +1665 C CG1 B ILE A 150 0.1342 0.7808 0.8533 0.0264 0.0047 0.0071 160 ILE A CG1 ? ? 1 +1666 C CG2 A ILE A 150 0.1460 0.7781 0.8507 0.0244 0.0084 0.0061 160 ILE A CG2 ? ? 1 +1667 C CG2 B ILE A 150 0.1439 0.7759 0.8485 0.0243 0.0083 0.0061 160 ILE A CG2 ? ? 1 +1668 C CD1 A ILE A 150 0.1378 0.7911 0.8628 0.0302 0.0078 0.0048 160 ILE A CD1 ? ? 1 +1669 C CD1 B ILE A 150 0.1363 0.7907 0.8620 0.0300 0.0082 0.0047 160 ILE A CD1 ? ? 1 +1670 N N A TYR A 151 0.1317 0.7709 0.8379 0.0113 0.0084 0.0093 161 TYR A N ? ? 1 +1671 N N B TYR A 151 0.1287 0.7678 0.8349 0.0112 0.0083 0.0093 161 TYR A N ? ? 1 +1672 C CA A TYR A 151 0.1342 0.7673 0.8331 0.0079 0.0089 0.0097 161 TYR A CA ? ? 1 +1673 C CA B TYR A 151 0.1311 0.7641 0.8299 0.0078 0.0088 0.0098 161 TYR A CA ? ? 1 +1674 C C A TYR A 151 0.1338 0.7711 0.8340 0.0059 0.0131 0.0090 161 TYR A C ? ? 1 +1675 C C B TYR A 151 0.1307 0.7677 0.8306 0.0059 0.0129 0.0090 161 TYR A C ? ? 1 +1676 O O A TYR A 151 0.1393 0.7714 0.8330 0.0056 0.0156 0.0082 161 TYR A O ? ? 1 +1677 O O B TYR A 151 0.1360 0.7679 0.8296 0.0056 0.0154 0.0082 161 TYR A O ? ? 1 +1678 C CB A TYR A 151 0.1300 0.7611 0.8272 0.0044 0.0051 0.0118 161 TYR A CB ? ? 1 +1679 C CB B TYR A 151 0.1270 0.7576 0.8239 0.0044 0.0048 0.0118 161 TYR A CB ? ? 1 +1680 C CG A TYR A 151 0.1338 0.7575 0.8227 0.0017 0.0049 0.0120 161 TYR A CG ? ? 1 +1681 C CG B TYR A 151 0.1307 0.7540 0.8194 0.0017 0.0046 0.0120 161 TYR A CG ? ? 1 +1682 C CD1 A TYR A 151 0.1413 0.7564 0.8229 0.0029 0.0044 0.0111 161 TYR A CD1 ? ? 1 +1683 C CD1 B TYR A 151 0.1383 0.7530 0.8196 0.0029 0.0042 0.0111 161 TYR A CD1 ? ? 1 +1684 C CD2 A TYR A 151 0.1306 0.7558 0.8187 -0.0019 0.0051 0.0129 161 TYR A CD2 ? ? 1 +1685 C CD2 B TYR A 151 0.1276 0.7526 0.8156 -0.0019 0.0049 0.0129 161 TYR A CD2 ? ? 1 +1686 C CE1 A TYR A 151 0.1454 0.7540 0.8194 0.0006 0.0039 0.0110 161 TYR A CE1 ? ? 1 +1687 C CE1 B TYR A 151 0.1424 0.7507 0.8162 0.0006 0.0038 0.0110 161 TYR A CE1 ? ? 1 +1688 C CE2 A TYR A 151 0.1345 0.7531 0.8149 -0.0039 0.0047 0.0129 161 TYR A CE2 ? ? 1 +1689 C CE2 B TYR A 151 0.1314 0.7498 0.8117 -0.0039 0.0045 0.0129 161 TYR A CE2 ? ? 1 +1690 C CZ A TYR A 151 0.1417 0.7523 0.8151 -0.0027 0.0039 0.0119 161 TYR A CZ ? ? 1 +1691 C CZ B TYR A 151 0.1387 0.7491 0.8121 -0.0027 0.0038 0.0119 161 TYR A CZ ? ? 1 +1692 O OH A TYR A 151 0.1463 0.7505 0.8121 -0.0045 0.0031 0.0117 161 TYR A OH ? ? 1 +1693 O OH B TYR A 151 0.1433 0.7475 0.8091 -0.0045 0.0031 0.0117 161 TYR A OH ? ? 1 +1694 N N A PRO A 152 0.1285 0.7747 0.8365 0.0045 0.0140 0.0093 162 PRO A N ? ? 1 +1695 N N B PRO A 152 0.1253 0.7712 0.8330 0.0045 0.0139 0.0093 162 PRO A N ? ? 1 +1696 C CA A PRO A 152 0.1294 0.7799 0.8393 0.0029 0.0186 0.0084 162 PRO A CA ? ? 1 +1697 C CA B PRO A 152 0.1264 0.7766 0.8361 0.0030 0.0186 0.0083 162 PRO A CA ? ? 1 +1698 C C A PRO A 152 0.1368 0.7869 0.8459 0.0058 0.0231 0.0062 162 PRO A C ? ? 1 +1699 C C B PRO A 152 0.1338 0.7836 0.8427 0.0060 0.0230 0.0062 162 PRO A C ? ? 1 +1700 O O A PRO A 152 0.1412 0.7889 0.8459 0.0044 0.0269 0.0056 162 PRO A O ? ? 1 +1701 O O B PRO A 152 0.1383 0.7854 0.8426 0.0046 0.0268 0.0056 162 PRO A O ? ? 1 +1702 C CB A PRO A 152 0.1218 0.7826 0.8418 0.0019 0.0182 0.0086 162 PRO A CB ? ? 1 +1703 C CB B PRO A 152 0.1188 0.7795 0.8388 0.0022 0.0182 0.0085 162 PRO A CB ? ? 1 +1704 C CG A PRO A 152 0.1167 0.7766 0.8373 0.0015 0.0129 0.0104 162 PRO A CG ? ? 1 +1705 C CG B PRO A 152 0.1134 0.7732 0.8337 0.0013 0.0131 0.0104 162 PRO A CG ? ? 1 +1706 C CD A PRO A 152 0.1215 0.7738 0.8364 0.0043 0.0107 0.0104 162 PRO A CD ? ? 1 +1707 C CD B PRO A 152 0.1179 0.7698 0.8324 0.0039 0.0106 0.0105 162 PRO A CD ? ? 1 +1708 N N A ILE A 153 0.1392 0.7914 0.8521 0.0101 0.0227 0.0050 163 ILE A N ? ? 1 +1709 N N B ILE A 153 0.1361 0.7884 0.8491 0.0102 0.0227 0.0050 163 ILE A N ? ? 1 +1710 C CA A ILE A 153 0.1463 0.7990 0.8593 0.0133 0.0270 0.0028 163 ILE A CA ? ? 1 +1711 C CA B ILE A 153 0.1434 0.7961 0.8564 0.0135 0.0270 0.0027 163 ILE A CA ? ? 1 +1712 C C A ILE A 153 0.1551 0.7967 0.8567 0.0137 0.0282 0.0024 163 ILE A C ? ? 1 +1713 C C B ILE A 153 0.1515 0.7931 0.8531 0.0139 0.0282 0.0023 163 ILE A C ? ? 1 +1714 O O A ILE A 153 0.1603 0.8004 0.8586 0.0136 0.0328 0.0012 163 ILE A O ? ? 1 +1715 O O B ILE A 153 0.1566 0.7969 0.8552 0.0141 0.0329 0.0010 163 ILE A O ? ? 1 +1716 C CB A ILE A 153 0.1470 0.8040 0.8663 0.0184 0.0259 0.0016 163 ILE A CB ? ? 1 +1717 C CB B ILE A 153 0.1451 0.8021 0.8644 0.0185 0.0259 0.0015 163 ILE A CB ? ? 1 +1718 C CG1 A ILE A 153 0.1397 0.8089 0.8709 0.0183 0.0254 0.0013 163 ILE A CG1 ? ? 1 +1719 C CG1 B ILE A 153 0.1390 0.8083 0.8703 0.0185 0.0256 0.0012 163 ILE A CG1 ? ? 1 +1720 C CG2 A ILE A 153 0.1550 0.8105 0.8727 0.0222 0.0301 -0.0007 163 ILE A CG2 ? ? 1 +1721 C CG2 B ILE A 153 0.1533 0.8083 0.8706 0.0224 0.0299 -0.0007 163 ILE A CG2 ? ? 1 +1722 C CD1 A ILE A 153 0.1402 0.8137 0.8774 0.0236 0.0235 0.0002 163 ILE A CD1 ? ? 1 +1723 C CD1 B ILE A 153 0.1403 0.8138 0.8776 0.0237 0.0235 0.0002 163 ILE A CD1 ? ? 1 +1724 N N A GLY A 154 0.1573 0.7910 0.8528 0.0141 0.0239 0.0034 164 GLY A N ? ? 1 +1725 N N B GLY A 154 0.1525 0.7861 0.8479 0.0141 0.0239 0.0034 164 GLY A N ? ? 1 +1726 C CA A GLY A 154 0.1655 0.7883 0.8501 0.0143 0.0240 0.0029 164 GLY A CA ? ? 1 +1727 C CA B GLY A 154 0.1599 0.7827 0.8444 0.0143 0.0241 0.0029 164 GLY A CA ? ? 1 +1728 C C A GLY A 154 0.1674 0.7865 0.8454 0.0106 0.0257 0.0034 164 GLY A C ? ? 1 +1729 C C B GLY A 154 0.1611 0.7801 0.8390 0.0105 0.0257 0.0034 164 GLY A C ? ? 1 +1730 O O A GLY A 154 0.1751 0.7879 0.8455 0.0112 0.0283 0.0023 164 GLY A O ? ? 1 +1731 O O B GLY A 154 0.1687 0.7816 0.8392 0.0112 0.0284 0.0023 164 GLY A O ? ? 1 +1732 N N A GLN A 155 0.1615 0.7841 0.8421 0.0069 0.0241 0.0051 165 GLN A N ? ? 1 +1733 N N B GLN A 155 0.1543 0.7768 0.8348 0.0068 0.0240 0.0051 165 GLN A N ? ? 1 +1734 C CA A GLN A 155 0.1637 0.7825 0.8380 0.0034 0.0251 0.0058 165 GLN A CA ? ? 1 +1735 C CA B GLN A 155 0.1559 0.7747 0.8301 0.0034 0.0249 0.0059 165 GLN A CA ? ? 1 +1736 C C A GLN A 155 0.1645 0.7890 0.8421 0.0020 0.0302 0.0054 165 GLN A C ? ? 1 +1737 C C B GLN A 155 0.1563 0.7805 0.8336 0.0020 0.0301 0.0055 165 GLN A C ? ? 1 +1738 O O A GLN A 155 0.1679 0.7888 0.8395 -0.0004 0.0320 0.0059 165 GLN A O ? ? 1 +1739 O O B GLN A 155 0.1597 0.7802 0.8309 -0.0005 0.0318 0.0060 165 GLN A O ? ? 1 +1740 C CB A GLN A 155 0.1573 0.7758 0.8316 0.0003 0.0204 0.0079 165 GLN A CB ? ? 1 +1741 C CB B GLN A 155 0.1491 0.7680 0.8238 0.0002 0.0203 0.0080 165 GLN A CB ? ? 1 +1742 C CG A GLN A 155 0.1583 0.7708 0.8290 0.0010 0.0157 0.0083 165 GLN A CG ? ? 1 +1743 C CG B GLN A 155 0.1493 0.7628 0.8213 0.0010 0.0154 0.0084 165 GLN A CG ? ? 1 +1744 C CD A GLN A 155 0.1678 0.7708 0.8287 0.0023 0.0161 0.0069 165 GLN A CD ? ? 1 +1745 C CD B GLN A 155 0.1580 0.7617 0.8198 0.0016 0.0151 0.0074 165 GLN A CD ? ? 1 +1746 O OE1 A GLN A 155 0.1728 0.7714 0.8268 0.0011 0.0179 0.0066 165 GLN A OE1 ? ? 1 +1747 O OE1 B GLN A 155 0.1609 0.7601 0.8161 -0.0005 0.0151 0.0077 165 GLN A OE1 ? ? 1 +1748 N NE2 A GLN A 155 0.1713 0.7705 0.8310 0.0050 0.0147 0.0061 165 GLN A NE2 ? ? 1 +1749 N NE2 B GLN A 155 0.1629 0.7625 0.8228 0.0047 0.0148 0.0062 165 GLN A NE2 ? ? 1 +1750 N N A GLY A 156 0.1623 0.7958 0.8496 0.0036 0.0325 0.0045 166 GLY A N ? ? 1 +1751 N N B GLY A 156 0.1535 0.7866 0.8404 0.0035 0.0325 0.0045 166 GLY A N ? ? 1 +1752 C CA A GLY A 156 0.1637 0.8031 0.8552 0.0025 0.0381 0.0036 166 GLY A CA ? ? 1 +1753 C CA B GLY A 156 0.1546 0.7933 0.8453 0.0025 0.0381 0.0036 166 GLY A CA ? ? 1 +1754 C C A GLY A 156 0.1584 0.8028 0.8539 -0.0017 0.0381 0.0050 166 GLY A C ? ? 1 +1755 C C B GLY A 156 0.1484 0.7931 0.8442 -0.0015 0.0383 0.0049 166 GLY A C ? ? 1 +1756 O O A GLY A 156 0.1615 0.8065 0.8558 -0.0039 0.0426 0.0048 166 GLY A O ? ? 1 +1757 O O B GLY A 156 0.1510 0.7978 0.8473 -0.0035 0.0431 0.0045 166 GLY A O ? ? 1 +1758 N N A SER A 157 0.1519 0.7994 0.8519 -0.0028 0.0333 0.0065 167 SER A N ? ? 1 +1759 N N B SER A 157 0.1415 0.7884 0.8408 -0.0028 0.0334 0.0065 167 SER A N ? ? 1 +1760 C CA A SER A 157 0.1469 0.7993 0.8511 -0.0065 0.0331 0.0077 167 SER A CA ? ? 1 +1761 C CA B SER A 157 0.1358 0.7880 0.8397 -0.0065 0.0332 0.0076 167 SER A CA ? ? 1 +1762 C C A SER A 157 0.1401 0.7963 0.8497 -0.0069 0.0276 0.0090 167 SER A C ? ? 1 +1763 C C B SER A 157 0.1286 0.7845 0.8379 -0.0068 0.0278 0.0089 167 SER A C ? ? 1 +1764 O O A SER A 157 0.1403 0.7910 0.8453 -0.0065 0.0233 0.0101 167 SER A O ? ? 1 +1765 O O B SER A 157 0.1286 0.7793 0.8336 -0.0063 0.0235 0.0100 167 SER A O ? ? 1 +1766 C CB A SER A 157 0.1502 0.7954 0.8452 -0.0097 0.0338 0.0090 167 SER A CB ? ? 1 +1767 C CB B SER A 157 0.1388 0.7839 0.8337 -0.0098 0.0339 0.0089 167 SER A CB ? ? 1 +1768 O OG A SER A 157 0.1447 0.7942 0.8435 -0.0132 0.0341 0.0100 167 SER A OG ? ? 1 +1769 O OG B SER A 157 0.1329 0.7826 0.8320 -0.0132 0.0341 0.0100 167 SER A OG ? ? 1 +1770 N N A PHE A 158 0.1352 0.8006 0.8544 -0.0080 0.0280 0.0088 168 PHE A N ? ? 1 +1771 N N B PHE A 158 0.1229 0.7880 0.8417 -0.0080 0.0282 0.0088 168 PHE A N ? ? 1 +1772 C CA A PHE A 158 0.1289 0.7981 0.8530 -0.0087 0.0233 0.0100 168 PHE A CA ? ? 1 +1773 C CA B PHE A 158 0.1161 0.7851 0.8399 -0.0087 0.0235 0.0100 168 PHE A CA ? ? 1 +1774 C C A PHE A 158 0.1293 0.7933 0.8474 -0.0120 0.0209 0.0121 168 PHE A C ? ? 1 +1775 C C B PHE A 158 0.1155 0.7794 0.8336 -0.0120 0.0209 0.0121 168 PHE A C ? ? 1 +1776 O O A PHE A 158 0.1237 0.7885 0.8435 -0.0126 0.0167 0.0134 168 PHE A O ? ? 1 +1777 O O B PHE A 158 0.1098 0.7748 0.8299 -0.0125 0.0167 0.0134 168 PHE A O ? ? 1 +1778 C CB A PHE A 158 0.1229 0.8029 0.8580 -0.0093 0.0245 0.0091 168 PHE A CB ? ? 1 +1779 C CB B PHE A 158 0.1102 0.7900 0.8450 -0.0094 0.0247 0.0091 168 PHE A CB ? ? 1 +1780 C CG A PHE A 158 0.1231 0.8090 0.8651 -0.0053 0.0253 0.0071 168 PHE A CG ? ? 1 +1781 C CG B PHE A 158 0.1102 0.7962 0.8521 -0.0054 0.0255 0.0071 168 PHE A CG ? ? 1 +1782 C CD1 A PHE A 158 0.1216 0.8070 0.8646 -0.0017 0.0211 0.0073 168 PHE A CD1 ? ? 1 +1783 C CD1 B PHE A 158 0.1089 0.7943 0.8518 -0.0018 0.0213 0.0073 168 PHE A CD1 ? ? 1 +1784 C CD2 A PHE A 158 0.1252 0.8169 0.8723 -0.0048 0.0304 0.0050 168 PHE A CD2 ? ? 1 +1785 C CD2 B PHE A 158 0.1124 0.8042 0.8596 -0.0050 0.0305 0.0050 168 PHE A CD2 ? ? 1 +1786 C CE1 A PHE A 158 0.1230 0.8134 0.8718 0.0025 0.0217 0.0055 168 PHE A CE1 ? ? 1 +1787 C CE1 B PHE A 158 0.1100 0.8006 0.8589 0.0023 0.0218 0.0055 168 PHE A CE1 ? ? 1 +1788 C CE2 A PHE A 158 0.1260 0.8236 0.8798 -0.0007 0.0310 0.0030 168 PHE A CE2 ? ? 1 +1789 C CE2 B PHE A 158 0.1130 0.8108 0.8670 -0.0009 0.0311 0.0030 168 PHE A CE2 ? ? 1 +1790 C CZ A PHE A 158 0.1251 0.8219 0.8796 0.0031 0.0265 0.0033 168 PHE A CZ ? ? 1 +1791 C CZ B PHE A 158 0.1121 0.8092 0.8668 0.0029 0.0266 0.0033 168 PHE A CZ ? ? 1 +1792 N N A SER A 159 0.1371 0.7954 0.8479 -0.0140 0.0237 0.0124 169 SER A N ? ? 1 +1793 N N B SER A 159 0.1223 0.7804 0.8329 -0.0141 0.0235 0.0124 169 SER A N ? ? 1 +1794 C CA A SER A 159 0.1395 0.7927 0.8442 -0.0168 0.0216 0.0141 169 SER A CA ? ? 1 +1795 C CA B SER A 159 0.1236 0.7766 0.8282 -0.0168 0.0212 0.0143 169 SER A CA ? ? 1 +1796 C C A SER A 159 0.1434 0.7898 0.8420 -0.0156 0.0172 0.0150 169 SER A C ? ? 1 +1797 C C B SER A 159 0.1265 0.7730 0.8253 -0.0156 0.0167 0.0151 169 SER A C ? ? 1 +1798 O O A SER A 159 0.1428 0.7859 0.8376 -0.0174 0.0144 0.0164 169 SER A O ? ? 1 +1799 O O B SER A 159 0.1260 0.7693 0.8212 -0.0174 0.0138 0.0166 169 SER A O ? ? 1 +1800 C CB A SER A 159 0.1452 0.7938 0.8432 -0.0188 0.0257 0.0141 169 SER A CB ? ? 1 +1801 C CB B SER A 159 0.1296 0.7773 0.8268 -0.0187 0.0251 0.0143 169 SER A CB ? ? 1 +1802 O OG A SER A 159 0.1530 0.7949 0.8435 -0.0168 0.0274 0.0133 169 SER A OG ? ? 1 +1803 O OG B SER A 159 0.1368 0.7776 0.8264 -0.0166 0.0262 0.0135 169 SER A OG ? ? 1 +1804 N N A ASP A 160 0.1498 0.7943 0.8476 -0.0125 0.0167 0.0140 170 ASP A N ? ? 1 +1805 N N B ASP A 160 0.1324 0.7767 0.8302 -0.0125 0.0163 0.0141 170 ASP A N ? ? 1 +1806 C CA A ASP A 160 0.1533 0.7920 0.8467 -0.0114 0.0125 0.0146 170 ASP A CA ? ? 1 +1807 C CA B ASP A 160 0.1353 0.7738 0.8285 -0.0114 0.0122 0.0147 170 ASP A CA ? ? 1 +1808 C C A ASP A 160 0.1470 0.7897 0.8467 -0.0091 0.0100 0.0145 170 ASP A C ? ? 1 +1809 C C B ASP A 160 0.1295 0.7719 0.8291 -0.0094 0.0093 0.0148 170 ASP A C ? ? 1 +1810 O O A ASP A 160 0.1505 0.7887 0.8474 -0.0070 0.0083 0.0142 170 ASP A O ? ? 1 +1811 O O B ASP A 160 0.1316 0.7694 0.8282 -0.0080 0.0066 0.0150 170 ASP A O ? ? 1 +1812 C CB A ASP A 160 0.1665 0.7970 0.8511 -0.0100 0.0135 0.0136 170 ASP A CB ? ? 1 +1813 C CB B ASP A 160 0.1473 0.7781 0.8324 -0.0097 0.0136 0.0135 170 ASP A CB ? ? 1 +1814 C CG A ASP A 160 0.1751 0.7990 0.8516 -0.0122 0.0117 0.0145 170 ASP A CG ? ? 1 +1815 C CG B ASP A 160 0.1567 0.7810 0.8329 -0.0114 0.0147 0.0137 170 ASP A CG ? ? 1 +1816 O OD1 A ASP A 160 0.1881 0.8117 0.8621 -0.0142 0.0139 0.0150 170 ASP A OD1 ? ? 1 +1817 O OD1 B ASP A 160 0.1649 0.7835 0.8346 -0.0100 0.0166 0.0125 170 ASP A OD1 ? ? 1 +1818 O OD2 A ASP A 160 0.1811 0.8001 0.8538 -0.0120 0.0079 0.0148 170 ASP A OD2 ? ? 1 +1819 O OD2 B ASP A 160 0.1714 0.7957 0.8465 -0.0141 0.0134 0.0150 170 ASP A OD2 ? ? 1 +1820 N N A GLY A 161 0.1386 0.7893 0.8465 -0.0095 0.0099 0.0148 171 GLY A N ? ? 1 +1821 N N B GLY A 161 0.1231 0.7738 0.8311 -0.0093 0.0100 0.0147 171 GLY A N ? ? 1 +1822 C CA A GLY A 161 0.1321 0.7863 0.8455 -0.0078 0.0066 0.0152 171 GLY A CA ? ? 1 +1823 C CA B GLY A 161 0.1171 0.7715 0.8307 -0.0078 0.0067 0.0152 171 GLY A CA ? ? 1 +1824 C C A GLY A 161 0.1247 0.7783 0.8376 -0.0103 0.0029 0.0171 171 GLY A C ? ? 1 +1825 C C B GLY A 161 0.1109 0.7643 0.8237 -0.0102 0.0029 0.0171 171 GLY A C ? ? 1 +1826 O O A GLY A 161 0.1241 0.7761 0.8340 -0.0132 0.0032 0.0179 171 GLY A O ? ? 1 +1827 O O B GLY A 161 0.1102 0.7620 0.8199 -0.0131 0.0032 0.0179 171 GLY A O ? ? 1 +1828 N N A MET A 162 0.1196 0.7739 0.8349 -0.0090 -0.0004 0.0178 172 MET A N ? ? 1 +1829 N N B MET A 162 0.1066 0.7609 0.8219 -0.0089 -0.0004 0.0178 172 MET A N ? ? 1 +1830 C CA A MET A 162 0.1140 0.7673 0.8285 -0.0112 -0.0037 0.0196 172 MET A CA ? ? 1 +1831 C CA B MET A 162 0.1020 0.7551 0.8163 -0.0111 -0.0037 0.0196 172 MET A CA ? ? 1 +1832 C C A MET A 162 0.1065 0.7664 0.8262 -0.0133 -0.0034 0.0201 172 MET A C ? ? 1 +1833 C C B MET A 162 0.0950 0.7548 0.8147 -0.0132 -0.0035 0.0201 172 MET A C ? ? 1 +1834 O O A MET A 162 0.1047 0.7712 0.8308 -0.0122 -0.0024 0.0193 172 MET A O ? ? 1 +1835 O O B MET A 162 0.0929 0.7592 0.8191 -0.0120 -0.0028 0.0194 172 MET A O ? ? 1 +1836 C CB A MET A 162 0.1142 0.7659 0.8292 -0.0093 -0.0069 0.0204 172 MET A CB ? ? 1 +1837 C CB B MET A 162 0.1024 0.7538 0.8172 -0.0092 -0.0069 0.0203 172 MET A CB ? ? 1 +1838 C CG A MET A 162 0.1111 0.7605 0.8243 -0.0116 -0.0099 0.0221 172 MET A CG ? ? 1 +1839 C CG B MET A 162 0.0992 0.7484 0.8123 -0.0116 -0.0100 0.0221 172 MET A CG ? ? 1 +1840 S SD A MET A 162 0.1125 0.7590 0.8254 -0.0096 -0.0131 0.0231 172 MET A SD ? ? 1 +1841 S SD B MET A 162 0.1007 0.7474 0.8138 -0.0095 -0.0132 0.0231 172 MET A SD ? ? 1 +1842 C CE A MET A 162 0.1070 0.7617 0.8272 -0.0090 -0.0142 0.0237 172 MET A CE ? ? 1 +1843 C CE B MET A 162 0.0952 0.7500 0.8154 -0.0092 -0.0143 0.0237 172 MET A CE ? ? 1 +1844 N N A PRO A 163 0.1015 0.7599 0.8186 -0.0163 -0.0042 0.0213 173 PRO A N ? ? 1 +1845 N N B PRO A 163 0.0911 0.7494 0.8082 -0.0163 -0.0041 0.0212 173 PRO A N ? ? 1 +1846 C CA A PRO A 163 0.0947 0.7583 0.8161 -0.0184 -0.0042 0.0218 173 PRO A CA ? ? 1 +1847 C CA B PRO A 163 0.0849 0.7486 0.8064 -0.0183 -0.0042 0.0218 173 PRO A CA ? ? 1 +1848 C C A PRO A 163 0.0881 0.7555 0.8142 -0.0175 -0.0072 0.0225 173 PRO A C ? ? 1 +1849 C C B PRO A 163 0.0791 0.7465 0.8052 -0.0175 -0.0073 0.0225 173 PRO A C ? ? 1 +1850 O O A PRO A 163 0.0896 0.7541 0.8141 -0.0160 -0.0096 0.0231 173 PRO A O ? ? 1 +1851 O O B PRO A 163 0.0807 0.7450 0.8050 -0.0161 -0.0097 0.0232 173 PRO A O ? ? 1 +1852 C CB A PRO A 163 0.0952 0.7545 0.8112 -0.0212 -0.0049 0.0230 173 PRO A CB ? ? 1 +1853 C CB B PRO A 163 0.0853 0.7448 0.8015 -0.0211 -0.0046 0.0229 173 PRO A CB ? ? 1 +1854 C CG A PRO A 163 0.1014 0.7540 0.8107 -0.0205 -0.0041 0.0225 173 PRO A CG ? ? 1 +1855 C CG B PRO A 163 0.0912 0.7441 0.8007 -0.0205 -0.0038 0.0224 173 PRO A CG ? ? 1 +1856 C CD A PRO A 163 0.1035 0.7549 0.8134 -0.0177 -0.0051 0.0219 173 PRO A CD ? ? 1 +1857 C CD B PRO A 163 0.0933 0.7448 0.8032 -0.0177 -0.0049 0.0219 173 PRO A CD ? ? 1 +1858 N N A LEU A 164 0.0817 0.7554 0.8133 -0.0186 -0.0071 0.0223 174 LEU A N ? ? 1 +1859 N N B LEU A 164 0.0735 0.7473 0.8052 -0.0184 -0.0071 0.0223 174 LEU A N ? ? 1 +1860 C CA A LEU A 164 0.0762 0.7536 0.8119 -0.0176 -0.0099 0.0229 174 LEU A CA ? ? 1 +1861 C CA B LEU A 164 0.0685 0.7459 0.8043 -0.0175 -0.0100 0.0229 174 LEU A CA ? ? 1 +1862 C C A LEU A 164 0.0714 0.7472 0.8049 -0.0202 -0.0118 0.0245 174 LEU A C ? ? 1 +1863 C C B LEU A 164 0.0643 0.7401 0.7979 -0.0201 -0.0119 0.0245 174 LEU A C ? ? 1 +1864 O O A LEU A 164 0.0686 0.7482 0.8050 -0.0221 -0.0116 0.0245 174 LEU A O ? ? 1 +1865 O O B LEU A 164 0.0616 0.7413 0.7981 -0.0220 -0.0117 0.0245 174 LEU A O ? ? 1 +1866 C CB A LEU A 164 0.0739 0.7595 0.8173 -0.0172 -0.0089 0.0214 174 LEU A CB ? ? 1 +1867 C CB B LEU A 164 0.0663 0.7520 0.8097 -0.0170 -0.0090 0.0214 174 LEU A CB ? ? 1 +1868 C CG A LEU A 164 0.0767 0.7652 0.8233 -0.0148 -0.0064 0.0195 174 LEU A CG ? ? 1 +1869 C CG B LEU A 164 0.0690 0.7576 0.8156 -0.0147 -0.0064 0.0195 174 LEU A CG ? ? 1 +1870 C CD1 A LEU A 164 0.0742 0.7718 0.8293 -0.0142 -0.0062 0.0179 174 LEU A CD1 ? ? 1 +1871 C CD1 B LEU A 164 0.0666 0.7643 0.8218 -0.0142 -0.0062 0.0179 174 LEU A CD1 ? ? 1 +1872 C CD2 A LEU A 164 0.0800 0.7645 0.8239 -0.0113 -0.0076 0.0195 174 LEU A CD2 ? ? 1 +1873 C CD2 B LEU A 164 0.0724 0.7572 0.8166 -0.0111 -0.0077 0.0195 174 LEU A CD2 ? ? 1 +1874 N N A GLY A 165 0.0703 0.7403 0.7988 -0.0203 -0.0136 0.0257 175 GLY A N ? ? 1 +1875 N N B GLY A 165 0.0642 0.7341 0.7926 -0.0203 -0.0135 0.0257 175 GLY A N ? ? 1 +1876 C CA A GLY A 165 0.0662 0.7345 0.7924 -0.0226 -0.0152 0.0271 175 GLY A CA ? ? 1 +1877 C CA B GLY A 165 0.0606 0.7288 0.7867 -0.0226 -0.0151 0.0271 175 GLY A CA ? ? 1 +1878 C C A GLY A 165 0.0667 0.7290 0.7880 -0.0225 -0.0168 0.0281 175 GLY A C ? ? 1 +1879 C C B GLY A 165 0.0613 0.7235 0.7826 -0.0225 -0.0168 0.0281 175 GLY A C ? ? 1 +1880 O O A GLY A 165 0.0700 0.7285 0.7885 -0.0214 -0.0162 0.0275 175 GLY A O ? ? 1 +1881 O O B GLY A 165 0.0645 0.7230 0.7831 -0.0213 -0.0163 0.0276 175 GLY A O ? ? 1 +1882 N N A ILE A 166 0.0628 0.7243 0.7833 -0.0239 -0.0187 0.0294 176 ILE A N ? ? 1 +1883 N N B ILE A 166 0.0580 0.7195 0.7785 -0.0239 -0.0187 0.0294 176 ILE A N ? ? 1 +1884 C CA A ILE A 166 0.0631 0.7200 0.7802 -0.0241 -0.0204 0.0302 176 ILE A CA ? ? 1 +1885 C CA B ILE A 166 0.0587 0.7156 0.7758 -0.0241 -0.0204 0.0303 176 ILE A CA ? ? 1 +1886 C C A ILE A 166 0.0645 0.7171 0.7771 -0.0251 -0.0198 0.0298 176 ILE A C ? ? 1 +1887 C C B ILE A 166 0.0603 0.7129 0.7729 -0.0251 -0.0199 0.0298 176 ILE A C ? ? 1 +1888 O O A ILE A 166 0.0683 0.7169 0.7783 -0.0244 -0.0201 0.0294 176 ILE A O ? ? 1 +1889 O O B ILE A 166 0.0641 0.7127 0.7742 -0.0243 -0.0201 0.0294 176 ILE A O ? ? 1 +1890 C CB A ILE A 166 0.0600 0.7180 0.7779 -0.0253 -0.0222 0.0316 176 ILE A CB ? ? 1 +1891 C CB B ILE A 166 0.0560 0.7140 0.7739 -0.0253 -0.0222 0.0316 176 ILE A CB ? ? 1 +1892 C CG1 A ILE A 166 0.0592 0.7196 0.7800 -0.0236 -0.0232 0.0319 176 ILE A CG1 ? ? 1 +1893 C CG1 B ILE A 166 0.0553 0.7159 0.7762 -0.0236 -0.0232 0.0320 176 ILE A CG1 ? ? 1 +1894 C CG2 A ILE A 166 0.0612 0.7150 0.7759 -0.0265 -0.0234 0.0323 176 ILE A CG2 ? ? 1 +1895 C CG2 B ILE A 166 0.0571 0.7111 0.7719 -0.0265 -0.0235 0.0324 176 ILE A CG2 ? ? 1 +1896 C CD1 A ILE A 166 0.0563 0.7188 0.7783 -0.0245 -0.0245 0.0330 176 ILE A CD1 ? ? 1 +1897 C CD1 B ILE A 166 0.0528 0.7152 0.7747 -0.0246 -0.0246 0.0331 176 ILE A CD1 ? ? 1 +1898 N N A SER A 167 0.0624 0.7154 0.7737 -0.0268 -0.0192 0.0299 177 SER A N ? ? 1 +1899 N N B SER A 167 0.0583 0.7113 0.7697 -0.0268 -0.0192 0.0299 177 SER A N ? ? 1 +1900 C CA A SER A 167 0.0646 0.7135 0.7712 -0.0275 -0.0189 0.0294 177 SER A CA ? ? 1 +1901 C CA B SER A 167 0.0608 0.7097 0.7675 -0.0275 -0.0189 0.0294 177 SER A CA ? ? 1 +1902 C C A SER A 167 0.0684 0.7156 0.7731 -0.0264 -0.0166 0.0281 177 SER A C ? ? 1 +1903 C C B SER A 167 0.0647 0.7119 0.7694 -0.0264 -0.0166 0.0281 177 SER A C ? ? 1 +1904 O O A SER A 167 0.0721 0.7149 0.7725 -0.0262 -0.0167 0.0275 177 SER A O ? ? 1 +1905 O O B SER A 167 0.0683 0.7112 0.7687 -0.0263 -0.0167 0.0275 177 SER A O ? ? 1 +1906 C CB A SER A 167 0.0632 0.7126 0.7684 -0.0292 -0.0188 0.0299 177 SER A CB ? ? 1 +1907 C CB B SER A 167 0.0592 0.7086 0.7644 -0.0292 -0.0189 0.0299 177 SER A CB ? ? 1 +1908 O OG A SER A 167 0.0599 0.7105 0.7664 -0.0301 -0.0208 0.0310 177 SER A OG ? ? 1 +1909 O OG B SER A 167 0.0561 0.7066 0.7626 -0.0301 -0.0209 0.0310 177 SER A OG ? ? 1 +1910 N N A GLY A 168 0.0671 0.7181 0.7754 -0.0256 -0.0147 0.0276 178 GLY A N ? ? 1 +1911 N N B GLY A 168 0.0639 0.7148 0.7721 -0.0255 -0.0146 0.0276 178 GLY A N ? ? 1 +1912 C CA A GLY A 168 0.0704 0.7206 0.7777 -0.0243 -0.0121 0.0262 178 GLY A CA ? ? 1 +1913 C CA B GLY A 168 0.0674 0.7175 0.7746 -0.0242 -0.0121 0.0262 178 GLY A CA ? ? 1 +1914 C C A GLY A 168 0.0733 0.7203 0.7792 -0.0222 -0.0128 0.0257 178 GLY A C ? ? 1 +1915 C C B GLY A 168 0.0705 0.7175 0.7765 -0.0222 -0.0128 0.0257 178 GLY A C ? ? 1 +1916 O O A GLY A 168 0.0778 0.7211 0.7800 -0.0214 -0.0114 0.0246 178 GLY A O ? ? 1 +1917 O O B GLY A 168 0.0751 0.7183 0.7772 -0.0214 -0.0115 0.0247 178 GLY A O ? ? 1 +1918 N N A THR A 169 0.0712 0.7191 0.7797 -0.0214 -0.0148 0.0263 179 THR A N ? ? 1 +1919 N N B THR A 169 0.0685 0.7165 0.7771 -0.0213 -0.0148 0.0263 179 THR A N ? ? 1 +1920 C CA A THR A 169 0.0749 0.7187 0.7815 -0.0197 -0.0157 0.0260 179 THR A CA ? ? 1 +1921 C CA B THR A 169 0.0723 0.7164 0.7792 -0.0196 -0.0158 0.0260 179 THR A CA ? ? 1 +1922 C C A THR A 169 0.0783 0.7162 0.7794 -0.0208 -0.0167 0.0258 179 THR A C ? ? 1 +1923 C C B THR A 169 0.0758 0.7138 0.7772 -0.0207 -0.0169 0.0259 179 THR A C ? ? 1 +1924 O O A THR A 169 0.0832 0.7170 0.7809 -0.0197 -0.0159 0.0247 179 THR A O ? ? 1 +1925 O O B THR A 169 0.0808 0.7145 0.7790 -0.0195 -0.0164 0.0249 179 THR A O ? ? 1 +1926 C CB A THR A 169 0.0728 0.7179 0.7822 -0.0189 -0.0178 0.0271 179 THR A CB ? ? 1 +1927 C CB B THR A 169 0.0705 0.7159 0.7803 -0.0188 -0.0177 0.0271 179 THR A CB ? ? 1 +1928 O OG1 A THR A 169 0.0701 0.7209 0.7846 -0.0175 -0.0172 0.0269 179 THR A OG1 ? ? 1 +1929 O OG1 B THR A 169 0.0677 0.7190 0.7826 -0.0175 -0.0171 0.0269 179 THR A OG1 ? ? 1 +1930 C CG2 A THR A 169 0.0774 0.7173 0.7842 -0.0173 -0.0187 0.0269 179 THR A CG2 ? ? 1 +1931 C CG2 B THR A 169 0.0752 0.7157 0.7826 -0.0169 -0.0186 0.0269 179 THR A CG2 ? ? 1 +1932 N N A PHE A 170 0.0758 0.7133 0.7761 -0.0230 -0.0185 0.0268 180 PHE A N ? ? 1 +1933 N N B PHE A 170 0.0734 0.7111 0.7738 -0.0230 -0.0184 0.0268 180 PHE A N ? ? 1 +1934 C CA A PHE A 170 0.0789 0.7118 0.7749 -0.0242 -0.0199 0.0264 180 PHE A CA ? ? 1 +1935 C CA B PHE A 170 0.0767 0.7097 0.7728 -0.0242 -0.0198 0.0264 180 PHE A CA ? ? 1 +1936 C C A PHE A 170 0.0836 0.7136 0.7750 -0.0240 -0.0184 0.0252 180 PHE A C ? ? 1 +1937 C C B PHE A 170 0.0814 0.7114 0.7729 -0.0240 -0.0184 0.0252 180 PHE A C ? ? 1 +1938 O O A PHE A 170 0.0883 0.7133 0.7756 -0.0237 -0.0190 0.0242 180 PHE A O ? ? 1 +1939 O O B PHE A 170 0.0859 0.7111 0.7732 -0.0238 -0.0190 0.0242 180 PHE A O ? ? 1 +1940 C CB A PHE A 170 0.0749 0.7094 0.7716 -0.0264 -0.0217 0.0275 180 PHE A CB ? ? 1 +1941 C CB B PHE A 170 0.0729 0.7072 0.7696 -0.0264 -0.0218 0.0275 180 PHE A CB ? ? 1 +1942 C CG A PHE A 170 0.0707 0.7076 0.7713 -0.0268 -0.0229 0.0288 180 PHE A CG ? ? 1 +1943 C CG B PHE A 170 0.0689 0.7058 0.7695 -0.0267 -0.0229 0.0288 180 PHE A CG ? ? 1 +1944 C CD1 A PHE A 170 0.0722 0.7078 0.7737 -0.0255 -0.0231 0.0289 180 PHE A CD1 ? ? 1 +1945 C CD1 B PHE A 170 0.0706 0.7059 0.7720 -0.0255 -0.0232 0.0290 180 PHE A CD1 ? ? 1 +1946 C CD2 A PHE A 170 0.0662 0.7064 0.7688 -0.0281 -0.0237 0.0298 180 PHE A CD2 ? ? 1 +1947 C CD2 B PHE A 170 0.0642 0.7047 0.7670 -0.0280 -0.0235 0.0298 180 PHE A CD2 ? ? 1 +1948 C CE1 A PHE A 170 0.0696 0.7067 0.7736 -0.0256 -0.0241 0.0302 180 PHE A CE1 ? ? 1 +1949 C CE1 B PHE A 170 0.0679 0.7049 0.7720 -0.0257 -0.0241 0.0302 180 PHE A CE1 ? ? 1 +1950 C CE2 A PHE A 170 0.0633 0.7054 0.7689 -0.0283 -0.0246 0.0310 180 PHE A CE2 ? ? 1 +1951 C CE2 B PHE A 170 0.0613 0.7039 0.7671 -0.0282 -0.0244 0.0310 180 PHE A CE2 ? ? 1 +1952 C CZ A PHE A 170 0.0650 0.7055 0.7711 -0.0271 -0.0248 0.0312 180 PHE A CZ ? ? 1 +1953 C CZ B PHE A 170 0.0632 0.7039 0.7694 -0.0270 -0.0247 0.0312 180 PHE A CZ ? ? 1 +1954 N N A ASN A 171 0.0832 0.7158 0.7751 -0.0240 -0.0164 0.0252 181 ASN A N ? ? 1 +1955 N N B ASN A 171 0.0809 0.7136 0.7728 -0.0241 -0.0164 0.0252 181 ASN A N ? ? 1 +1956 C CA A ASN A 171 0.0887 0.7183 0.7757 -0.0238 -0.0145 0.0241 181 ASN A CA ? ? 1 +1957 C CA B ASN A 171 0.0865 0.7161 0.7735 -0.0237 -0.0144 0.0241 181 ASN A CA ? ? 1 +1958 C C A ASN A 171 0.0944 0.7213 0.7798 -0.0217 -0.0129 0.0228 181 ASN A C ? ? 1 +1959 C C B ASN A 171 0.0921 0.7190 0.7776 -0.0216 -0.0129 0.0228 181 ASN A C ? ? 1 +1960 O O A ASN A 171 0.1004 0.7222 0.7802 -0.0213 -0.0126 0.0217 181 ASN A O ? ? 1 +1961 O O B ASN A 171 0.0982 0.7199 0.7780 -0.0212 -0.0126 0.0217 181 ASN A O ? ? 1 +1962 C CB A ASN A 171 0.0870 0.7198 0.7752 -0.0244 -0.0121 0.0244 181 ASN A CB ? ? 1 +1963 C CB B ASN A 171 0.0850 0.7179 0.7732 -0.0243 -0.0119 0.0244 181 ASN A CB ? ? 1 +1964 C CG A ASN A 171 0.0929 0.7218 0.7750 -0.0243 -0.0100 0.0236 181 ASN A CG ? ? 1 +1965 C CG B ASN A 171 0.0911 0.7200 0.7733 -0.0242 -0.0098 0.0235 181 ASN A CG ? ? 1 +1966 O OD1 A ASN A 171 0.0958 0.7249 0.7776 -0.0234 -0.0068 0.0228 181 ASN A OD1 ? ? 1 +1967 O OD1 B ASN A 171 0.0942 0.7231 0.7760 -0.0231 -0.0067 0.0227 181 ASN A OD1 ? ? 1 +1968 N ND2 A ASN A 171 0.0958 0.7208 0.7727 -0.0252 -0.0118 0.0238 181 ASN A ND2 ? ? 1 +1969 N ND2 B ASN A 171 0.0941 0.7192 0.7711 -0.0251 -0.0114 0.0237 181 ASN A ND2 ? ? 1 +1970 N N A PHE A 172 0.0931 0.7233 0.7832 -0.0202 -0.0120 0.0228 182 PHE A N ? ? 1 +1971 N N B PHE A 172 0.0907 0.7209 0.7809 -0.0201 -0.0119 0.0228 182 PHE A N ? ? 1 +1972 C CA A PHE A 172 0.0983 0.7265 0.7876 -0.0177 -0.0103 0.0215 182 PHE A CA ? ? 1 +1973 C CA B PHE A 172 0.0959 0.7241 0.7852 -0.0177 -0.0103 0.0215 182 PHE A CA ? ? 1 +1974 C C A PHE A 172 0.1030 0.7251 0.7883 -0.0173 -0.0123 0.0211 182 PHE A C ? ? 1 +1975 C C B PHE A 172 0.1005 0.7225 0.7858 -0.0173 -0.0124 0.0211 182 PHE A C ? ? 1 +1976 O O A PHE A 172 0.1093 0.7266 0.7899 -0.0162 -0.0114 0.0197 182 PHE A O ? ? 1 +1977 O O B PHE A 172 0.1068 0.7240 0.7874 -0.0161 -0.0114 0.0197 182 PHE A O ? ? 1 +1978 C CB A PHE A 172 0.0951 0.7288 0.7909 -0.0159 -0.0095 0.0217 182 PHE A CB ? ? 1 +1979 C CB B PHE A 172 0.0927 0.7263 0.7886 -0.0159 -0.0096 0.0217 182 PHE A CB ? ? 1 +1980 C CG A PHE A 172 0.0997 0.7319 0.7954 -0.0129 -0.0081 0.0204 182 PHE A CG ? ? 1 +1981 C CG B PHE A 172 0.0973 0.7294 0.7931 -0.0128 -0.0082 0.0204 182 PHE A CG ? ? 1 +1982 C CD1 A PHE A 172 0.1030 0.7362 0.7986 -0.0116 -0.0047 0.0190 182 PHE A CD1 ? ? 1 +1983 C CD1 B PHE A 172 0.1004 0.7338 0.7963 -0.0115 -0.0048 0.0191 182 PHE A CD1 ? ? 1 +1984 C CD2 A PHE A 172 0.1015 0.7309 0.7971 -0.0113 -0.0100 0.0205 182 PHE A CD2 ? ? 1 +1985 C CD2 B PHE A 172 0.0991 0.7283 0.7947 -0.0112 -0.0101 0.0206 182 PHE A CD2 ? ? 1 +1986 C CE1 A PHE A 172 0.1074 0.7394 0.8030 -0.0084 -0.0034 0.0177 182 PHE A CE1 ? ? 1 +1987 C CE1 B PHE A 172 0.1048 0.7372 0.8009 -0.0083 -0.0034 0.0178 182 PHE A CE1 ? ? 1 +1988 C CE2 A PHE A 172 0.1064 0.7339 0.8015 -0.0081 -0.0088 0.0194 182 PHE A CE2 ? ? 1 +1989 C CE2 B PHE A 172 0.1039 0.7314 0.7991 -0.0080 -0.0089 0.0194 182 PHE A CE2 ? ? 1 +1990 C CZ A PHE A 172 0.1090 0.7381 0.8044 -0.0066 -0.0055 0.0179 182 PHE A CZ ? ? 1 +1991 C CZ B PHE A 172 0.1066 0.7359 0.8023 -0.0065 -0.0056 0.0179 182 PHE A CZ ? ? 1 +1992 N N A MET A 173 0.1008 0.7228 0.7878 -0.0184 -0.0151 0.0221 183 MET A N ? ? 1 +1993 N N B MET A 173 0.0985 0.7204 0.7854 -0.0184 -0.0151 0.0221 183 MET A N ? ? 1 +1994 C CA A MET A 173 0.1052 0.7216 0.7890 -0.0186 -0.0171 0.0217 183 MET A CA ? ? 1 +1995 C CA B MET A 173 0.1028 0.7190 0.7865 -0.0186 -0.0171 0.0217 183 MET A CA ? ? 1 +1996 C C A MET A 173 0.1092 0.7205 0.7871 -0.0199 -0.0180 0.0207 183 MET A C ? ? 1 +1997 C C B MET A 173 0.1063 0.7176 0.7842 -0.0200 -0.0180 0.0207 183 MET A C ? ? 1 +1998 O O A MET A 173 0.1151 0.7208 0.7889 -0.0193 -0.0183 0.0194 183 MET A O ? ? 1 +1999 O O B MET A 173 0.1123 0.7179 0.7860 -0.0193 -0.0184 0.0194 183 MET A O ? ? 1 +2000 C CB A MET A 173 0.1017 0.7195 0.7886 -0.0202 -0.0194 0.0232 183 MET A CB ? ? 1 +2001 C CB B MET A 173 0.0998 0.7173 0.7865 -0.0202 -0.0195 0.0232 183 MET A CB ? ? 1 +2002 C CG A MET A 173 0.0999 0.7205 0.7910 -0.0184 -0.0192 0.0241 183 MET A CG ? ? 1 +2003 C CG B MET A 173 0.0980 0.7184 0.7890 -0.0184 -0.0192 0.0241 183 MET A CG ? ? 1 +2004 S SD A MET A 173 0.0973 0.7185 0.7907 -0.0202 -0.0215 0.0258 183 MET A SD ? ? 1 +2005 S SD B MET A 173 0.0955 0.7168 0.7889 -0.0203 -0.0216 0.0258 183 MET A SD ? ? 1 +2006 C CE A MET A 173 0.1040 0.7174 0.7936 -0.0196 -0.0223 0.0253 183 MET A CE ? ? 1 +2007 C CE B MET A 173 0.1018 0.7157 0.7918 -0.0197 -0.0224 0.0254 183 MET A CE ? ? 1 +2008 N N A ILE A 174 0.1065 0.7197 0.7838 -0.0217 -0.0185 0.0211 184 ILE A N ? ? 1 +2009 N N B ILE A 174 0.1032 0.7163 0.7804 -0.0217 -0.0186 0.0211 184 ILE A N ? ? 1 +2010 C CA A ILE A 174 0.1104 0.7194 0.7823 -0.0229 -0.0202 0.0201 184 ILE A CA ? ? 1 +2011 C CA B ILE A 174 0.1069 0.7158 0.7787 -0.0229 -0.0202 0.0201 184 ILE A CA ? ? 1 +2012 C C A ILE A 174 0.1166 0.7214 0.7826 -0.0214 -0.0181 0.0186 184 ILE A C ? ? 1 +2013 C C B ILE A 174 0.1127 0.7175 0.7787 -0.0214 -0.0181 0.0186 184 ILE A C ? ? 1 +2014 O O A ILE A 174 0.1222 0.7215 0.7831 -0.0213 -0.0193 0.0172 184 ILE A O ? ? 1 +2015 O O B ILE A 174 0.1182 0.7175 0.7791 -0.0213 -0.0192 0.0172 184 ILE A O ? ? 1 +2016 C CB A ILE A 174 0.1062 0.7185 0.7791 -0.0248 -0.0216 0.0211 184 ILE A CB ? ? 1 +2017 C CB B ILE A 174 0.1026 0.7148 0.7754 -0.0247 -0.0215 0.0211 184 ILE A CB ? ? 1 +2018 C CG1 A ILE A 174 0.1003 0.7160 0.7784 -0.0263 -0.0236 0.0224 184 ILE A CG1 ? ? 1 +2019 C CG1 B ILE A 174 0.0968 0.7124 0.7748 -0.0263 -0.0236 0.0224 184 ILE A CG1 ? ? 1 +2020 C CG2 A ILE A 174 0.1112 0.7194 0.7782 -0.0255 -0.0233 0.0200 184 ILE A CG2 ? ? 1 +2021 C CG2 B ILE A 174 0.1076 0.7159 0.7746 -0.0254 -0.0232 0.0200 184 ILE A CG2 ? ? 1 +2022 C CD1 A ILE A 174 0.0953 0.7152 0.7755 -0.0275 -0.0242 0.0235 184 ILE A CD1 ? ? 1 +2023 C CD1 B ILE A 174 0.0916 0.7114 0.7717 -0.0276 -0.0243 0.0235 184 ILE A CD1 ? ? 1 +2024 N N A VAL A 175 0.1155 0.7232 0.7825 -0.0203 -0.0150 0.0189 185 VAL A N ? ? 1 +2025 N N B VAL A 175 0.1112 0.7189 0.7782 -0.0203 -0.0150 0.0189 185 VAL A N ? ? 1 +2026 C CA A VAL A 175 0.1218 0.7259 0.7835 -0.0187 -0.0123 0.0175 185 VAL A CA ? ? 1 +2027 C CA B VAL A 175 0.1172 0.7213 0.7790 -0.0187 -0.0123 0.0175 185 VAL A CA ? ? 1 +2028 C C A VAL A 175 0.1265 0.7269 0.7870 -0.0167 -0.0116 0.0162 185 VAL A C ? ? 1 +2029 C C B VAL A 175 0.1217 0.7221 0.7821 -0.0167 -0.0116 0.0162 185 VAL A C ? ? 1 +2030 O O A VAL A 175 0.1334 0.7281 0.7875 -0.0157 -0.0109 0.0147 185 VAL A O ? ? 1 +2031 O O B VAL A 175 0.1285 0.7233 0.7826 -0.0158 -0.0109 0.0148 185 VAL A O ? ? 1 +2032 C CB A VAL A 175 0.1194 0.7279 0.7836 -0.0183 -0.0086 0.0180 185 VAL A CB ? ? 1 +2033 C CB B VAL A 175 0.1148 0.7234 0.7790 -0.0183 -0.0086 0.0180 185 VAL A CB ? ? 1 +2034 C CG1 A VAL A 175 0.1264 0.7312 0.7852 -0.0168 -0.0053 0.0167 185 VAL A CG1 ? ? 1 +2035 C CG1 B VAL A 175 0.1215 0.7266 0.7807 -0.0167 -0.0052 0.0167 185 VAL A CG1 ? ? 1 +2036 C CG2 A VAL A 175 0.1156 0.7266 0.7802 -0.0203 -0.0093 0.0193 185 VAL A CG2 ? ? 1 +2037 C CG2 B VAL A 175 0.1115 0.7222 0.7755 -0.0203 -0.0093 0.0192 185 VAL A CG2 ? ? 1 +2038 N N A PHE A 176 0.1237 0.7268 0.7896 -0.0159 -0.0119 0.0168 186 PHE A N ? ? 1 +2039 N N B PHE A 176 0.1187 0.7218 0.7845 -0.0159 -0.0118 0.0168 186 PHE A N ? ? 1 +2040 C CA A PHE A 176 0.1296 0.7290 0.7943 -0.0136 -0.0112 0.0157 186 PHE A CA ? ? 1 +2041 C CA B PHE A 176 0.1244 0.7238 0.7891 -0.0136 -0.0112 0.0157 186 PHE A CA ? ? 1 +2042 C C A PHE A 176 0.1371 0.7292 0.7962 -0.0144 -0.0137 0.0147 186 PHE A C ? ? 1 +2043 C C B PHE A 176 0.1318 0.7239 0.7908 -0.0144 -0.0137 0.0146 186 PHE A C ? ? 1 +2044 O O A PHE A 176 0.1444 0.7309 0.7985 -0.0128 -0.0128 0.0131 186 PHE A O ? ? 1 +2045 O O B PHE A 176 0.1392 0.7257 0.7930 -0.0128 -0.0127 0.0130 186 PHE A O ? ? 1 +2046 C CB A PHE A 176 0.1249 0.7282 0.7960 -0.0124 -0.0115 0.0168 186 PHE A CB ? ? 1 +2047 C CB B PHE A 176 0.1198 0.7231 0.7909 -0.0124 -0.0115 0.0167 186 PHE A CB ? ? 1 +2048 C CG A PHE A 176 0.1288 0.7310 0.8003 -0.0090 -0.0095 0.0157 186 PHE A CG ? ? 1 +2049 C CG B PHE A 176 0.1239 0.7260 0.7954 -0.0090 -0.0095 0.0157 186 PHE A CG ? ? 1 +2050 C CD1 A PHE A 176 0.1358 0.7309 0.8028 -0.0077 -0.0102 0.0146 186 PHE A CD1 ? ? 1 +2051 C CD1 B PHE A 176 0.1307 0.7257 0.7978 -0.0078 -0.0103 0.0147 186 PHE A CD1 ? ? 1 +2052 C CD2 A PHE A 176 0.1261 0.7343 0.8026 -0.0070 -0.0069 0.0157 186 PHE A CD2 ? ? 1 +2053 C CD2 B PHE A 176 0.1213 0.7292 0.7975 -0.0070 -0.0068 0.0157 186 PHE A CD2 ? ? 1 +2054 C CE1 A PHE A 176 0.1401 0.7338 0.8072 -0.0041 -0.0083 0.0136 186 PHE A CE1 ? ? 1 +2055 C CE1 B PHE A 176 0.1350 0.7286 0.8022 -0.0042 -0.0085 0.0137 186 PHE A CE1 ? ? 1 +2056 C CE2 A PHE A 176 0.1299 0.7375 0.8071 -0.0035 -0.0050 0.0146 186 PHE A CE2 ? ? 1 +2057 C CE2 B PHE A 176 0.1251 0.7324 0.8021 -0.0035 -0.0051 0.0146 186 PHE A CE2 ? ? 1 +2058 C CZ A PHE A 176 0.1369 0.7372 0.8093 -0.0019 -0.0057 0.0136 186 PHE A CZ ? ? 1 +2059 C CZ B PHE A 176 0.1320 0.7319 0.8042 -0.0019 -0.0059 0.0137 186 PHE A CZ ? ? 1 +2060 N N A GLN A 177 0.1360 0.7283 0.7961 -0.0170 -0.0168 0.0154 187 GLN A N ? ? 1 +2061 N N B GLN A 177 0.1303 0.7226 0.7904 -0.0170 -0.0169 0.0154 187 GLN A N ? ? 1 +2062 C CA A GLN A 177 0.1423 0.7287 0.7981 -0.0184 -0.0195 0.0143 187 GLN A CA ? ? 1 +2063 C CA B GLN A 177 0.1363 0.7226 0.7920 -0.0184 -0.0196 0.0143 187 GLN A CA ? ? 1 +2064 C C A GLN A 177 0.1503 0.7322 0.7989 -0.0184 -0.0195 0.0126 187 GLN A C ? ? 1 +2065 C C B GLN A 177 0.1438 0.7257 0.7925 -0.0184 -0.0196 0.0126 187 GLN A C ? ? 1 +2066 O O A GLN A 177 0.1577 0.7332 0.8011 -0.0179 -0.0202 0.0109 187 GLN A O ? ? 1 +2067 O O B GLN A 177 0.1512 0.7266 0.7947 -0.0180 -0.0203 0.0109 187 GLN A O ? ? 1 +2068 C CB A GLN A 177 0.1373 0.7263 0.7965 -0.0214 -0.0225 0.0154 187 GLN A CB ? ? 1 +2069 C CB B GLN A 177 0.1312 0.7203 0.7907 -0.0214 -0.0226 0.0154 187 GLN A CB ? ? 1 +2070 C CG A GLN A 177 0.1423 0.7264 0.7978 -0.0234 -0.0255 0.0139 187 GLN A CG ? ? 1 +2071 C CG B GLN A 177 0.1359 0.7201 0.7918 -0.0235 -0.0255 0.0140 187 GLN A CG ? ? 1 +2072 C CD A GLN A 177 0.1488 0.7266 0.8019 -0.0229 -0.0256 0.0128 187 GLN A CD ? ? 1 +2073 C CD B GLN A 177 0.1429 0.7205 0.7960 -0.0229 -0.0257 0.0128 187 GLN A CD ? ? 1 +2074 O OE1 A GLN A 177 0.1484 0.7257 0.8033 -0.0211 -0.0240 0.0134 187 GLN A OE1 ? ? 1 +2075 O OE1 B GLN A 177 0.1425 0.7196 0.7976 -0.0213 -0.0242 0.0135 187 GLN A OE1 ? ? 1 +2076 N NE2 A GLN A 177 0.1552 0.7275 0.8037 -0.0244 -0.0278 0.0109 187 GLN A NE2 ? ? 1 +2077 N NE2 B GLN A 177 0.1494 0.7216 0.7978 -0.0243 -0.0277 0.0109 187 GLN A NE2 ? ? 1 +2078 N N A ALA A 178 0.1504 0.7352 0.7983 -0.0188 -0.0188 0.0131 188 ALA A N ? ? 1 +2079 N N B ALA A 178 0.1434 0.7282 0.7913 -0.0188 -0.0189 0.0131 188 ALA A N ? ? 1 +2080 C CA A ALA A 178 0.1594 0.7397 0.7996 -0.0185 -0.0187 0.0117 188 ALA A CA ? ? 1 +2081 C CA B ALA A 178 0.1519 0.7323 0.7923 -0.0185 -0.0187 0.0118 188 ALA A CA ? ? 1 +2082 C C A ALA A 178 0.1697 0.7456 0.8050 -0.0159 -0.0155 0.0103 188 ALA A C ? ? 1 +2083 C C B ALA A 178 0.1618 0.7377 0.7972 -0.0159 -0.0156 0.0103 188 ALA A C ? ? 1 +2084 O O A ALA A 178 0.1784 0.7480 0.8061 -0.0154 -0.0160 0.0086 188 ALA A O ? ? 1 +2085 O O B ALA A 178 0.1706 0.7401 0.7986 -0.0154 -0.0162 0.0086 188 ALA A O ? ? 1 +2086 C CB A ALA A 178 0.1559 0.7399 0.7963 -0.0191 -0.0181 0.0129 188 ALA A CB ? ? 1 +2087 C CB B ALA A 178 0.1483 0.7325 0.7888 -0.0191 -0.0179 0.0129 188 ALA A CB ? ? 1 +2088 N N A GLU A 179 0.1701 0.7492 0.8095 -0.0140 -0.0122 0.0109 189 GLU A N ? ? 1 +2089 N N B GLU A 179 0.1616 0.7409 0.8011 -0.0140 -0.0122 0.0109 189 GLU A N ? ? 1 +2090 C CA A GLU A 179 0.1788 0.7549 0.8143 -0.0114 -0.0086 0.0096 189 GLU A CA ? ? 1 +2091 C CA B GLU A 179 0.1697 0.7460 0.8052 -0.0114 -0.0085 0.0096 189 GLU A CA ? ? 1 +2092 C C A GLU A 179 0.1824 0.7543 0.8170 -0.0094 -0.0084 0.0084 189 GLU A C ? ? 1 +2093 C C B GLU A 179 0.1734 0.7454 0.8081 -0.0094 -0.0084 0.0084 189 GLU A C ? ? 1 +2094 O O A GLU A 179 0.1896 0.7568 0.8189 -0.0073 -0.0062 0.0067 189 GLU A O ? ? 1 +2095 O O B GLU A 179 0.1804 0.7478 0.8099 -0.0073 -0.0061 0.0068 189 GLU A O ? ? 1 +2096 C CB A GLU A 179 0.1777 0.7603 0.8181 -0.0104 -0.0046 0.0106 189 GLU A CB ? ? 1 +2097 C CB B GLU A 179 0.1685 0.7511 0.8087 -0.0105 -0.0046 0.0106 189 GLU A CB ? ? 1 +2098 C CG A GLU A 179 0.1802 0.7643 0.8183 -0.0119 -0.0036 0.0113 189 GLU A CG ? ? 1 +2099 C CG B GLU A 179 0.1698 0.7543 0.8083 -0.0121 -0.0039 0.0114 189 GLU A CG ? ? 1 +2100 C CD A GLU A 179 0.1790 0.7697 0.8224 -0.0118 0.0001 0.0123 189 GLU A CD ? ? 1 +2101 C CD B GLU A 179 0.1689 0.7596 0.8122 -0.0119 0.0000 0.0123 189 GLU A CD ? ? 1 +2102 O OE1 A GLU A 179 0.1801 0.7761 0.8309 -0.0108 0.0011 0.0126 189 GLU A OE1 ? ? 1 +2103 O OE1 B GLU A 179 0.1711 0.7664 0.8209 -0.0105 0.0017 0.0124 189 GLU A OE1 ? ? 1 +2104 O OE2 A GLU A 179 0.1844 0.7748 0.8245 -0.0127 0.0019 0.0126 189 GLU A OE2 ? ? 1 +2105 O OE2 B GLU A 179 0.1728 0.7637 0.8134 -0.0130 0.0014 0.0129 189 GLU A OE2 ? ? 1 +2106 N N A HIS A 180 0.1778 0.7507 0.8171 -0.0101 -0.0108 0.0091 190 HIS A N ? ? 1 +2107 N N B HIS A 180 0.1688 0.7419 0.8081 -0.0101 -0.0108 0.0091 190 HIS A N ? ? 1 +2108 C CA A HIS A 180 0.1816 0.7503 0.8202 -0.0081 -0.0106 0.0082 190 HIS A CA ? ? 1 +2109 C CA B HIS A 180 0.1728 0.7415 0.8114 -0.0082 -0.0106 0.0082 190 HIS A CA ? ? 1 +2110 C C A HIS A 180 0.1826 0.7465 0.8200 -0.0100 -0.0143 0.0079 190 HIS A C ? ? 1 +2111 C C B HIS A 180 0.1741 0.7380 0.8115 -0.0101 -0.0143 0.0080 190 HIS A C ? ? 1 +2112 O O A HIS A 180 0.1869 0.7460 0.8230 -0.0086 -0.0143 0.0072 190 HIS A O ? ? 1 +2113 O O B HIS A 180 0.1788 0.7376 0.8145 -0.0086 -0.0143 0.0071 190 HIS A O ? ? 1 +2114 C CB A HIS A 180 0.1767 0.7513 0.8227 -0.0061 -0.0088 0.0094 190 HIS A CB ? ? 1 +2115 C CB B HIS A 180 0.1677 0.7424 0.8137 -0.0062 -0.0088 0.0094 190 HIS A CB ? ? 1 +2116 C CG A HIS A 180 0.1755 0.7554 0.8239 -0.0043 -0.0050 0.0094 190 HIS A CG ? ? 1 +2117 C CG B HIS A 180 0.1664 0.7464 0.8148 -0.0043 -0.0050 0.0094 190 HIS A CG ? ? 1 +2118 N ND1 A HIS A 180 0.1825 0.7596 0.8272 -0.0015 -0.0017 0.0077 190 HIS A ND1 ? ? 1 +2119 N ND1 B HIS A 180 0.1736 0.7505 0.8181 -0.0016 -0.0018 0.0077 190 HIS A ND1 ? ? 1 +2120 C CD2 A HIS A 180 0.1683 0.7562 0.8226 -0.0051 -0.0038 0.0107 190 HIS A CD2 ? ? 1 +2121 C CD2 B HIS A 180 0.1592 0.7471 0.8135 -0.0051 -0.0038 0.0107 190 HIS A CD2 ? ? 1 +2122 C CE1 A HIS A 180 0.1793 0.7630 0.8281 -0.0008 0.0015 0.0081 190 HIS A CE1 ? ? 1 +2123 C CE1 B HIS A 180 0.1704 0.7538 0.8189 -0.0009 0.0015 0.0081 190 HIS A CE1 ? ? 1 +2124 N NE2 A HIS A 180 0.1706 0.7608 0.8253 -0.0030 0.0003 0.0099 190 HIS A NE2 ? ? 1 +2125 N NE2 B HIS A 180 0.1616 0.7517 0.8161 -0.0030 0.0003 0.0099 190 HIS A NE2 ? ? 1 +2126 N N A ASN A 181 0.1782 0.7433 0.8162 -0.0133 -0.0172 0.0085 191 ASN A N ? ? 1 +2127 N N B ASN A 181 0.1697 0.7351 0.8080 -0.0133 -0.0173 0.0086 191 ASN A N ? ? 1 +2128 C CA A ASN A 181 0.1781 0.7401 0.8163 -0.0158 -0.0205 0.0083 191 ASN A CA ? ? 1 +2129 C CA B ASN A 181 0.1698 0.7320 0.8084 -0.0158 -0.0205 0.0084 191 ASN A CA ? ? 1 +2130 C C A ASN A 181 0.1768 0.7384 0.8188 -0.0147 -0.0201 0.0093 191 ASN A C ? ? 1 +2131 C C B ASN A 181 0.1687 0.7306 0.8111 -0.0148 -0.0201 0.0094 191 ASN A C ? ? 1 +2132 O O A ASN A 181 0.1834 0.7383 0.8222 -0.0145 -0.0207 0.0082 191 ASN A O ? ? 1 +2133 O O B ASN A 181 0.1751 0.7303 0.8144 -0.0147 -0.0209 0.0084 191 ASN A O ? ? 1 +2134 C CB A ASN A 181 0.1873 0.7410 0.8180 -0.0163 -0.0221 0.0059 191 ASN A CB ? ? 1 +2135 C CB B ASN A 181 0.1791 0.7329 0.8100 -0.0163 -0.0220 0.0060 191 ASN A CB ? ? 1 +2136 C CG A ASN A 181 0.1881 0.7396 0.8193 -0.0199 -0.0258 0.0054 191 ASN A CG ? ? 1 +2137 C CG B ASN A 181 0.1799 0.7316 0.8112 -0.0199 -0.0258 0.0054 191 ASN A CG ? ? 1 +2138 O OD1 A ASN A 181 0.1807 0.7370 0.8177 -0.0221 -0.0272 0.0070 191 ASN A OD1 ? ? 1 +2139 O OD1 B ASN A 181 0.1726 0.7290 0.8097 -0.0221 -0.0272 0.0070 191 ASN A OD1 ? ? 1 +2140 N ND2 A ASN A 181 0.1965 0.7407 0.8216 -0.0206 -0.0274 0.0031 191 ASN A ND2 ? ? 1 +2141 N ND2 B ASN A 181 0.1884 0.7328 0.8136 -0.0206 -0.0273 0.0031 191 ASN A ND2 ? ? 1 +2142 N N A ILE A 182 0.1688 0.7373 0.8172 -0.0141 -0.0191 0.0113 192 ILE A N ? ? 1 +2143 N N B ILE A 182 0.1611 0.7299 0.8099 -0.0140 -0.0190 0.0114 192 ILE A N ? ? 1 +2144 C CA A ILE A 182 0.1675 0.7363 0.8195 -0.0125 -0.0186 0.0124 192 ILE A CA ? ? 1 +2145 C CA B ILE A 182 0.1601 0.7291 0.8123 -0.0125 -0.0186 0.0125 192 ILE A CA ? ? 1 +2146 C C A ILE A 182 0.1689 0.7335 0.8208 -0.0149 -0.0210 0.0128 192 ILE A C ? ? 1 +2147 C C B ILE A 182 0.1617 0.7266 0.8139 -0.0149 -0.0210 0.0129 192 ILE A C ? ? 1 +2148 O O A ILE A 182 0.1727 0.7328 0.8236 -0.0135 -0.0207 0.0129 192 ILE A O ? ? 1 +2149 O O B ILE A 182 0.1655 0.7260 0.8168 -0.0134 -0.0207 0.0131 192 ILE A O ? ? 1 +2150 C CB A ILE A 182 0.1586 0.7363 0.8174 -0.0117 -0.0175 0.0143 192 ILE A CB ? ? 1 +2151 C CB B ILE A 182 0.1510 0.7290 0.8102 -0.0117 -0.0175 0.0144 192 ILE A CB ? ? 1 +2152 C CG1 A ILE A 182 0.1576 0.7358 0.8199 -0.0096 -0.0173 0.0155 192 ILE A CG1 ? ? 1 +2153 C CG1 B ILE A 182 0.1502 0.7285 0.8127 -0.0096 -0.0174 0.0156 192 ILE A CG1 ? ? 1 +2154 C CG2 A ILE A 182 0.1514 0.7343 0.8134 -0.0150 -0.0191 0.0155 192 ILE A CG2 ? ? 1 +2155 C CG2 B ILE A 182 0.1437 0.7269 0.8062 -0.0150 -0.0192 0.0157 192 ILE A CG2 ? ? 1 +2156 C CD1 A ILE A 182 0.1501 0.7368 0.8188 -0.0083 -0.0163 0.0169 192 ILE A CD1 ? ? 1 +2157 C CD1 B ILE A 182 0.1431 0.7296 0.8119 -0.0080 -0.0162 0.0170 192 ILE A CD1 ? ? 1 +2158 N N A LEU A 183 0.1658 0.7319 0.8187 -0.0187 -0.0233 0.0131 193 LEU A N ? ? 1 +2159 N N B LEU A 183 0.1594 0.7255 0.8124 -0.0187 -0.0233 0.0131 193 LEU A N ? ? 1 +2160 C CA A LEU A 183 0.1671 0.7299 0.8206 -0.0215 -0.0252 0.0134 193 LEU A CA ? ? 1 +2161 C CA B LEU A 183 0.1611 0.7238 0.8145 -0.0215 -0.0252 0.0134 193 LEU A CA ? ? 1 +2162 C C A LEU A 183 0.1773 0.7305 0.8250 -0.0213 -0.0255 0.0116 193 LEU A C ? ? 1 +2163 C C B LEU A 183 0.1716 0.7247 0.8192 -0.0214 -0.0255 0.0116 193 LEU A C ? ? 1 +2164 O O A LEU A 183 0.1803 0.7291 0.8278 -0.0221 -0.0259 0.0121 193 LEU A O ? ? 1 +2165 O O B LEU A 183 0.1746 0.7233 0.8220 -0.0222 -0.0259 0.0121 193 LEU A O ? ? 1 +2166 C CB A LEU A 183 0.1628 0.7290 0.8183 -0.0254 -0.0275 0.0134 193 LEU A CB ? ? 1 +2167 C CB B LEU A 183 0.1567 0.7230 0.8122 -0.0254 -0.0275 0.0134 193 LEU A CB ? ? 1 +2168 C CG A LEU A 183 0.1531 0.7279 0.8145 -0.0260 -0.0275 0.0154 193 LEU A CG ? ? 1 +2169 C CG B LEU A 183 0.1470 0.7219 0.8084 -0.0259 -0.0274 0.0155 193 LEU A CG ? ? 1 +2170 C CD1 A LEU A 183 0.1502 0.7282 0.8131 -0.0293 -0.0298 0.0151 193 LEU A CD1 ? ? 1 +2171 C CD1 B LEU A 183 0.1440 0.7222 0.8069 -0.0291 -0.0297 0.0151 193 LEU A CD1 ? ? 1 +2172 C CD2 A LEU A 183 0.1502 0.7263 0.8154 -0.0258 -0.0270 0.0175 193 LEU A CD2 ? ? 1 +2173 C CD2 B LEU A 183 0.1440 0.7201 0.8093 -0.0259 -0.0270 0.0175 193 LEU A CD2 ? ? 1 +2174 N N A MET A 184 0.1833 0.7326 0.8256 -0.0201 -0.0251 0.0095 194 MET A N ? ? 1 +2175 N N B MET A 184 0.1779 0.7272 0.8202 -0.0202 -0.0252 0.0094 194 MET A N ? ? 1 +2176 C CA A MET A 184 0.1939 0.7336 0.8300 -0.0199 -0.0255 0.0074 194 MET A CA ? ? 1 +2177 C CA B MET A 184 0.1889 0.7286 0.8249 -0.0199 -0.0255 0.0074 194 MET A CA ? ? 1 +2178 C C A MET A 184 0.1990 0.7347 0.8325 -0.0154 -0.0229 0.0073 194 MET A C ? ? 1 +2179 C C B MET A 184 0.1943 0.7299 0.8277 -0.0154 -0.0229 0.0072 194 MET A C ? ? 1 +2180 O O A MET A 184 0.2084 0.7358 0.8359 -0.0143 -0.0227 0.0054 194 MET A O ? ? 1 +2181 O O B MET A 184 0.2037 0.7310 0.8311 -0.0143 -0.0227 0.0054 194 MET A O ? ? 1 +2182 C CB A MET A 184 0.1990 0.7361 0.8300 -0.0210 -0.0267 0.0050 194 MET A CB ? ? 1 +2183 C CB B MET A 184 0.1940 0.7311 0.8249 -0.0209 -0.0267 0.0050 194 MET A CB ? ? 1 +2184 C CG A MET A 184 0.1966 0.7364 0.8296 -0.0253 -0.0298 0.0046 194 MET A CG ? ? 1 +2185 C CG B MET A 184 0.1919 0.7317 0.8247 -0.0253 -0.0298 0.0046 194 MET A CG ? ? 1 +2186 S SD A MET A 184 0.2023 0.7362 0.8353 -0.0295 -0.0321 0.0037 194 MET A SD ? ? 1 +2187 S SD B MET A 184 0.1975 0.7315 0.8305 -0.0295 -0.0321 0.0037 194 MET A SD ? ? 1 +2188 C CE A MET A 184 0.2151 0.7387 0.8392 -0.0288 -0.0326 0.0004 194 MET A CE ? ? 1 +2189 C CE B MET A 184 0.2104 0.7339 0.8345 -0.0288 -0.0326 0.0005 194 MET A CE ? ? 1 +2190 N N A HIS A 185 0.1932 0.7348 0.8313 -0.0126 -0.0211 0.0090 195 HIS A N ? ? 1 +2191 N N B HIS A 185 0.1889 0.7304 0.8268 -0.0126 -0.0211 0.0090 195 HIS A N ? ? 1 +2192 C CA A HIS A 185 0.1973 0.7362 0.8340 -0.0080 -0.0189 0.0089 195 HIS A CA ? ? 1 +2193 C CA B HIS A 185 0.1932 0.7321 0.8298 -0.0079 -0.0189 0.0088 195 HIS A CA ? ? 1 +2194 C C A HIS A 185 0.1990 0.7343 0.8366 -0.0073 -0.0193 0.0103 195 HIS A C ? ? 1 +2195 C C B HIS A 185 0.1951 0.7303 0.8326 -0.0074 -0.0193 0.0102 195 HIS A C ? ? 1 +2196 O O A HIS A 185 0.1924 0.7323 0.8348 -0.0087 -0.0201 0.0123 195 HIS A O ? ? 1 +2197 O O B HIS A 185 0.1884 0.7282 0.8307 -0.0087 -0.0201 0.0123 195 HIS A O ? ? 1 +2198 C CB A HIS A 185 0.1910 0.7384 0.8322 -0.0050 -0.0166 0.0096 195 HIS A CB ? ? 1 +2199 C CB B HIS A 185 0.1869 0.7343 0.8280 -0.0050 -0.0166 0.0096 195 HIS A CB ? ? 1 +2200 C CG A HIS A 185 0.1967 0.7418 0.8360 0.0000 -0.0141 0.0086 195 HIS A CG ? ? 1 +2201 C CG B HIS A 185 0.1926 0.7378 0.8320 0.0000 -0.0141 0.0086 195 HIS A CG ? ? 1 +2202 N ND1 A HIS A 185 0.2002 0.7423 0.8399 0.0029 -0.0139 0.0092 195 HIS A ND1 ? ? 1 +2203 N ND1 B HIS A 185 0.1962 0.7381 0.8358 0.0029 -0.0139 0.0092 195 HIS A ND1 ? ? 1 +2204 C CD2 A HIS A 185 0.1999 0.7453 0.8368 0.0024 -0.0117 0.0070 195 HIS A CD2 ? ? 1 +2205 C CD2 B HIS A 185 0.1954 0.7413 0.8327 0.0025 -0.0117 0.0071 195 HIS A CD2 ? ? 1 +2206 C CE1 A HIS A 185 0.2049 0.7460 0.8430 0.0073 -0.0115 0.0079 195 HIS A CE1 ? ? 1 +2207 C CE1 B HIS A 185 0.2010 0.7421 0.8391 0.0073 -0.0115 0.0079 195 HIS A CE1 ? ? 1 +2208 N NE2 A HIS A 185 0.2048 0.7480 0.8413 0.0070 -0.0100 0.0065 195 HIS A NE2 ? ? 1 +2209 N NE2 B HIS A 185 0.2005 0.7441 0.8374 0.0071 -0.0099 0.0066 195 HIS A NE2 ? ? 1 +2210 N N A PRO A 186 0.2091 0.7353 0.8414 -0.0052 -0.0188 0.0092 196 PRO A N ? ? 1 +2211 N N B PRO A 186 0.2058 0.7318 0.8380 -0.0052 -0.0188 0.0092 196 PRO A N ? ? 1 +2212 C CA A PRO A 186 0.2129 0.7340 0.8447 -0.0046 -0.0192 0.0106 196 PRO A CA ? ? 1 +2213 C CA B PRO A 186 0.2098 0.7308 0.8415 -0.0046 -0.0192 0.0106 196 PRO A CA ? ? 1 +2214 C C A PRO A 186 0.2075 0.7346 0.8444 -0.0012 -0.0184 0.0127 196 PRO A C ? ? 1 +2215 C C B PRO A 186 0.2050 0.7320 0.8418 -0.0012 -0.0184 0.0127 196 PRO A C ? ? 1 +2216 O O A PRO A 186 0.2083 0.7333 0.8458 -0.0017 -0.0191 0.0145 196 PRO A O ? ? 1 +2217 O O B PRO A 186 0.2057 0.7306 0.8432 -0.0017 -0.0192 0.0145 196 PRO A O ? ? 1 +2218 C CB A PRO A 186 0.2253 0.7354 0.8497 -0.0019 -0.0184 0.0087 196 PRO A CB ? ? 1 +2219 C CB B PRO A 186 0.2221 0.7320 0.8464 -0.0021 -0.0184 0.0087 196 PRO A CB ? ? 1 +2220 C CG A PRO A 186 0.2269 0.7381 0.8490 0.0000 -0.0170 0.0065 196 PRO A CG ? ? 1 +2221 C CG B PRO A 186 0.2237 0.7346 0.8457 -0.0001 -0.0171 0.0065 196 PRO A CG ? ? 1 +2222 C CD A PRO A 186 0.2182 0.7376 0.8440 -0.0032 -0.0178 0.0067 196 PRO A CD ? ? 1 +2223 C CD B PRO A 186 0.2149 0.7342 0.8406 -0.0032 -0.0178 0.0066 196 PRO A CD ? ? 1 +2224 N N A PHE A 187 0.2027 0.7372 0.8431 0.0021 -0.0169 0.0126 197 PHE A N ? ? 1 +2225 N N B PHE A 187 0.2004 0.7347 0.8407 0.0021 -0.0169 0.0125 197 PHE A N ? ? 1 +2226 C CA A PHE A 187 0.1974 0.7385 0.8432 0.0053 -0.0164 0.0143 197 PHE A CA ? ? 1 +2227 C CA B PHE A 187 0.1954 0.7363 0.8411 0.0053 -0.0164 0.0142 197 PHE A CA ? ? 1 +2228 C C A PHE A 187 0.1866 0.7357 0.8383 0.0021 -0.0176 0.0163 197 PHE A C ? ? 1 +2229 C C B PHE A 187 0.1849 0.7338 0.8365 0.0021 -0.0176 0.0163 197 PHE A C ? ? 1 +2230 O O A PHE A 187 0.1832 0.7351 0.8381 0.0035 -0.0181 0.0180 197 PHE A O ? ? 1 +2231 O O B PHE A 187 0.1815 0.7331 0.8362 0.0036 -0.0181 0.0180 197 PHE A O ? ? 1 +2232 C CB A PHE A 187 0.1961 0.7431 0.8446 0.0096 -0.0142 0.0132 197 PHE A CB ? ? 1 +2233 C CB B PHE A 187 0.1946 0.7411 0.8428 0.0098 -0.0142 0.0131 197 PHE A CB ? ? 1 +2234 C CG A PHE A 187 0.2059 0.7464 0.8502 0.0146 -0.0129 0.0117 197 PHE A CG ? ? 1 +2235 C CG B PHE A 187 0.2044 0.7444 0.8484 0.0148 -0.0129 0.0117 197 PHE A CG ? ? 1 +2236 C CD1 A PHE A 187 0.2162 0.7452 0.8536 0.0146 -0.0136 0.0112 197 PHE A CD1 ? ? 1 +2237 C CD1 B PHE A 187 0.2150 0.7434 0.8521 0.0148 -0.0136 0.0112 197 PHE A CD1 ? ? 1 +2238 C CD2 A PHE A 187 0.2053 0.7514 0.8529 0.0193 -0.0108 0.0109 197 PHE A CD2 ? ? 1 +2239 C CD2 B PHE A 187 0.2040 0.7494 0.8511 0.0194 -0.0108 0.0108 197 PHE A CD2 ? ? 1 +2240 C CE1 A PHE A 187 0.2257 0.7482 0.8588 0.0195 -0.0123 0.0099 197 PHE A CE1 ? ? 1 +2241 C CE1 B PHE A 187 0.2244 0.7463 0.8572 0.0197 -0.0123 0.0099 197 PHE A CE1 ? ? 1 +2242 C CE2 A PHE A 187 0.2145 0.7548 0.8583 0.0242 -0.0095 0.0095 197 PHE A CE2 ? ? 1 +2243 C CE2 B PHE A 187 0.2133 0.7529 0.8567 0.0244 -0.0095 0.0094 197 PHE A CE2 ? ? 1 +2244 C CZ A PHE A 187 0.2246 0.7530 0.8611 0.0244 -0.0103 0.0090 197 PHE A CZ ? ? 1 +2245 C CZ B PHE A 187 0.2235 0.7511 0.8595 0.0246 -0.0104 0.0090 197 PHE A CZ ? ? 1 +2246 N N A HIS A 188 0.1814 0.7338 0.8341 -0.0019 -0.0182 0.0159 198 HIS A N ? ? 1 +2247 N N B HIS A 188 0.1799 0.7324 0.8326 -0.0019 -0.0182 0.0159 198 HIS A N ? ? 1 +2248 C CA A HIS A 188 0.1725 0.7314 0.8300 -0.0053 -0.0195 0.0177 198 HIS A CA ? ? 1 +2249 C CA B HIS A 188 0.1714 0.7302 0.8289 -0.0053 -0.0194 0.0177 198 HIS A CA ? ? 1 +2250 C C A HIS A 188 0.1755 0.7285 0.8311 -0.0082 -0.0210 0.0188 198 HIS A C ? ? 1 +2251 C C B HIS A 188 0.1749 0.7279 0.8305 -0.0082 -0.0210 0.0188 198 HIS A C ? ? 1 +2252 O O A HIS A 188 0.1713 0.7274 0.8301 -0.0090 -0.0216 0.0207 198 HIS A O ? ? 1 +2253 O O B HIS A 188 0.1708 0.7269 0.8296 -0.0090 -0.0216 0.0207 198 HIS A O ? ? 1 +2254 C CB A HIS A 188 0.1674 0.7310 0.8261 -0.0085 -0.0197 0.0170 198 HIS A CB ? ? 1 +2255 C CB B HIS A 188 0.1662 0.7299 0.8250 -0.0085 -0.0197 0.0170 198 HIS A CB ? ? 1 +2256 C CG A HIS A 188 0.1592 0.7292 0.8227 -0.0117 -0.0210 0.0187 198 HIS A CG ? ? 1 +2257 C CG B HIS A 188 0.1580 0.7279 0.8215 -0.0117 -0.0210 0.0187 198 HIS A CG ? ? 1 +2258 N ND1 A HIS A 188 0.1593 0.7274 0.8222 -0.0160 -0.0227 0.0188 198 HIS A ND1 ? ? 1 +2259 N ND1 B HIS A 188 0.1584 0.7264 0.8212 -0.0159 -0.0227 0.0188 198 HIS A ND1 ? ? 1 +2260 C CD2 A HIS A 188 0.1514 0.7294 0.8204 -0.0111 -0.0208 0.0203 198 HIS A CD2 ? ? 1 +2261 C CD2 B HIS A 188 0.1501 0.7281 0.8191 -0.0111 -0.0208 0.0203 198 HIS A CD2 ? ? 1 +2262 C CE1 A HIS A 188 0.1511 0.7260 0.8188 -0.0176 -0.0233 0.0205 198 HIS A CE1 ? ? 1 +2263 C CE1 B HIS A 188 0.1501 0.7249 0.8178 -0.0176 -0.0233 0.0205 198 HIS A CE1 ? ? 1 +2264 N NE2 A HIS A 188 0.1464 0.7271 0.8177 -0.0148 -0.0222 0.0214 198 HIS A NE2 ? ? 1 +2265 N NE2 B HIS A 188 0.1452 0.7258 0.8164 -0.0148 -0.0222 0.0214 198 HIS A NE2 ? ? 1 +2266 N N . GLN A 189 0.1838 0.7280 0.8339 -0.0098 -0.0214 0.0174 199 GLN A N ? ? 1 +2267 C CA . GLN A 189 0.1886 0.7265 0.8366 -0.0131 -0.0224 0.0181 199 GLN A CA ? ? 1 +2268 C CB . GLN A 189 0.1976 0.7267 0.8398 -0.0152 -0.0229 0.0158 199 GLN A CB ? ? 1 +2269 C CG . GLN A 189 0.1940 0.7272 0.8373 -0.0185 -0.0240 0.0142 199 GLN A CG ? ? 1 +2270 C CD . GLN A 189 0.2036 0.7290 0.8407 -0.0190 -0.0243 0.0115 199 GLN A CD ? ? 1 +2271 O OE1 . GLN A 189 0.2142 0.7304 0.8462 -0.0179 -0.0239 0.0107 199 GLN A OE1 ? ? 1 +2272 N NE2 . GLN A 189 0.2017 0.7303 0.8386 -0.0206 -0.0252 0.0100 199 GLN A NE2 ? ? 1 +2273 C C . GLN A 189 0.1924 0.7260 0.8392 -0.0103 -0.0220 0.0198 199 GLN A C ? ? 1 +2274 O O . GLN A 189 0.1905 0.7238 0.8385 -0.0126 -0.0225 0.0216 199 GLN A O ? ? 1 +2275 N N A LEU A 190 0.1975 0.7280 0.8418 -0.0053 -0.0210 0.0193 200 LEU A N ? ? 1 +2276 N N B LEU A 190 0.1975 0.7280 0.8418 -0.0053 -0.0210 0.0193 200 LEU A N ? ? 1 +2277 C CA A LEU A 190 0.2016 0.7287 0.8447 -0.0016 -0.0208 0.0209 200 LEU A CA ? ? 1 +2278 C CA B LEU A 190 0.2016 0.7287 0.8447 -0.0016 -0.0208 0.0209 200 LEU A CA ? ? 1 +2279 C C A LEU A 190 0.1918 0.7283 0.8410 -0.0007 -0.0212 0.0229 200 LEU A C ? ? 1 +2280 C C B LEU A 190 0.1917 0.7282 0.8409 -0.0007 -0.0212 0.0229 200 LEU A C ? ? 1 +2281 O O A LEU A 190 0.1950 0.7292 0.8436 0.0000 -0.0217 0.0249 200 LEU A O ? ? 1 +2282 O O B LEU A 190 0.1950 0.7292 0.8436 0.0000 -0.0217 0.0249 200 LEU A O ? ? 1 +2283 C CB A LEU A 190 0.2091 0.7324 0.8491 0.0042 -0.0197 0.0196 200 LEU A CB ? ? 1 +2284 C CB B LEU A 190 0.2089 0.7323 0.8489 0.0042 -0.0197 0.0196 200 LEU A CB ? ? 1 +2285 C CG A LEU A 190 0.2216 0.7329 0.8540 0.0043 -0.0192 0.0178 200 LEU A CG ? ? 1 +2286 C CG B LEU A 190 0.2213 0.7327 0.8537 0.0043 -0.0192 0.0179 200 LEU A CG ? ? 1 +2287 C CD1 A LEU A 190 0.2269 0.7364 0.8570 0.0099 -0.0179 0.0162 200 LEU A CD1 ? ? 1 +2288 C CD1 B LEU A 190 0.2267 0.7363 0.8569 0.0099 -0.0179 0.0162 200 LEU A CD1 ? ? 1 +2289 C CD2 A LEU A 190 0.2308 0.7320 0.8583 0.0036 -0.0196 0.0192 200 LEU A CD2 ? ? 1 +2290 C CD2 B LEU A 190 0.2306 0.7319 0.8581 0.0037 -0.0196 0.0193 200 LEU A CD2 ? ? 1 +2291 N N . GLY A 191 0.1817 0.7283 0.8364 -0.0008 -0.0210 0.0225 201 GLY A N ? ? 1 +2292 C CA . GLY A 191 0.1718 0.7277 0.8324 -0.0005 -0.0215 0.0241 201 GLY A CA ? ? 1 +2293 C C . GLY A 191 0.1677 0.7243 0.8295 -0.0050 -0.0225 0.0259 201 GLY A C ? ? 1 +2294 O O . GLY A 191 0.1652 0.7236 0.8285 -0.0042 -0.0230 0.0278 201 GLY A O ? ? 1 +2295 N N . VAL A 192 0.1667 0.7220 0.8278 -0.0097 -0.0228 0.0251 202 VAL A N ? ? 1 +2296 C CA . VAL A 192 0.1636 0.7192 0.8259 -0.0142 -0.0235 0.0264 202 VAL A CA ? ? 1 +2297 C CB . VAL A 192 0.1638 0.7189 0.8258 -0.0189 -0.0241 0.0249 202 VAL A CB ? ? 1 +2298 C CG1 . VAL A 192 0.1628 0.7177 0.8263 -0.0235 -0.0247 0.0260 202 VAL A CG1 ? ? 1 +2299 C CG2 . VAL A 192 0.1562 0.7194 0.8217 -0.0190 -0.0242 0.0238 202 VAL A CG2 ? ? 1 +2300 C C . VAL A 192 0.1709 0.7178 0.8290 -0.0142 -0.0234 0.0278 202 VAL A C ? ? 1 +2301 O O . VAL A 192 0.1681 0.7166 0.8277 -0.0154 -0.0236 0.0298 202 VAL A O ? ? 1 +2302 N N A ALA A 193 0.1806 0.7179 0.8330 -0.0129 -0.0230 0.0268 203 ALA A N ? ? 1 +2303 N N B ALA A 193 0.1812 0.7186 0.8336 -0.0130 -0.0230 0.0268 203 ALA A N ? ? 1 +2304 C CA A ALA A 193 0.1899 0.7176 0.8372 -0.0126 -0.0226 0.0281 203 ALA A CA ? ? 1 +2305 C CA B ALA A 193 0.1911 0.7187 0.8384 -0.0126 -0.0226 0.0281 203 ALA A CA ? ? 1 +2306 C C A ALA A 193 0.1897 0.7191 0.8375 -0.0082 -0.0227 0.0302 203 ALA A C ? ? 1 +2307 C C B ALA A 193 0.1908 0.7201 0.8385 -0.0082 -0.0227 0.0301 203 ALA A C ? ? 1 +2308 O O A ALA A 193 0.1924 0.7182 0.8383 -0.0091 -0.0226 0.0322 203 ALA A O ? ? 1 +2309 O O B ALA A 193 0.1937 0.7194 0.8396 -0.0090 -0.0226 0.0321 203 ALA A O ? ? 1 +2310 C CB A ALA A 193 0.2010 0.7182 0.8419 -0.0111 -0.0220 0.0265 203 ALA A CB ? ? 1 +2311 C CB B ALA A 193 0.2026 0.7198 0.8435 -0.0111 -0.0220 0.0265 203 ALA A CB ? ? 1 +2312 N N A GLY A 194 0.1867 0.7218 0.8370 -0.0035 -0.0229 0.0295 204 GLY A N ? ? 1 +2313 N N B GLY A 194 0.1877 0.7227 0.8379 -0.0035 -0.0229 0.0295 204 GLY A N ? ? 1 +2314 C CA A GLY A 194 0.1853 0.7239 0.8371 0.0011 -0.0234 0.0310 204 GLY A CA ? ? 1 +2315 C CA B GLY A 194 0.1860 0.7245 0.8378 0.0011 -0.0234 0.0310 204 GLY A CA ? ? 1 +2316 C C A GLY A 194 0.1782 0.7233 0.8340 -0.0009 -0.0241 0.0330 204 GLY A C ? ? 1 +2317 C C B GLY A 194 0.1787 0.7237 0.8344 -0.0009 -0.0241 0.0329 204 GLY A C ? ? 1 +2318 O O A GLY A 194 0.1820 0.7240 0.8354 0.0008 -0.0246 0.0348 204 GLY A O ? ? 1 +2319 O O B GLY A 194 0.1826 0.7243 0.8359 0.0008 -0.0246 0.0348 204 GLY A O ? ? 1 +2320 N N A VAL A 195 0.1691 0.7228 0.8303 -0.0043 -0.0242 0.0325 205 VAL A N ? ? 1 +2321 N N B VAL A 195 0.1693 0.7230 0.8304 -0.0043 -0.0242 0.0325 205 VAL A N ? ? 1 +2322 C CA A VAL A 195 0.1625 0.7229 0.8276 -0.0060 -0.0248 0.0342 205 VAL A CA ? ? 1 +2323 C CA B VAL A 195 0.1628 0.7232 0.8279 -0.0059 -0.0248 0.0341 205 VAL A CA ? ? 1 +2324 C C A VAL A 195 0.1649 0.7212 0.8282 -0.0109 -0.0245 0.0354 205 VAL A C ? ? 1 +2325 C C B VAL A 195 0.1654 0.7216 0.8286 -0.0108 -0.0245 0.0354 205 VAL A C ? ? 1 +2326 O O A VAL A 195 0.1642 0.7211 0.8275 -0.0111 -0.0247 0.0374 205 VAL A O ? ? 1 +2327 O O B VAL A 195 0.1650 0.7217 0.8281 -0.0110 -0.0247 0.0374 205 VAL A O ? ? 1 +2328 C CB A VAL A 195 0.1519 0.7235 0.8236 -0.0070 -0.0250 0.0333 205 VAL A CB ? ? 1 +2329 C CB B VAL A 195 0.1521 0.7238 0.8238 -0.0069 -0.0250 0.0332 205 VAL A CB ? ? 1 +2330 C CG1 A VAL A 195 0.1505 0.7264 0.8244 -0.0024 -0.0249 0.0319 205 VAL A CG1 ? ? 1 +2331 C CG1 B VAL A 195 0.1506 0.7266 0.8246 -0.0023 -0.0249 0.0319 205 VAL A CG1 ? ? 1 +2332 C CG2 A VAL A 195 0.1489 0.7215 0.8216 -0.0116 -0.0247 0.0321 205 VAL A CG2 ? ? 1 +2333 C CG2 B VAL A 195 0.1490 0.7218 0.8218 -0.0115 -0.0247 0.0320 205 VAL A CG2 ? ? 1 +2334 N N A PHE A 196 0.1683 0.7205 0.8301 -0.0148 -0.0239 0.0343 206 PHE A N ? ? 1 +2335 N N B PHE A 196 0.1687 0.7210 0.8305 -0.0147 -0.0239 0.0343 206 PHE A N ? ? 1 +2336 C CA A PHE A 196 0.1723 0.7197 0.8323 -0.0194 -0.0233 0.0352 206 PHE A CA ? ? 1 +2337 C CA B PHE A 196 0.1729 0.7205 0.8330 -0.0194 -0.0233 0.0352 206 PHE A CA ? ? 1 +2338 C C A PHE A 196 0.1830 0.7204 0.8367 -0.0177 -0.0227 0.0369 206 PHE A C ? ? 1 +2339 C C B PHE A 196 0.1838 0.7211 0.8375 -0.0177 -0.0227 0.0369 206 PHE A C ? ? 1 +2340 O O A PHE A 196 0.1842 0.7199 0.8369 -0.0195 -0.0221 0.0387 206 PHE A O ? ? 1 +2341 O O B PHE A 196 0.1848 0.7206 0.8375 -0.0194 -0.0221 0.0388 206 PHE A O ? ? 1 +2342 C CB A PHE A 196 0.1749 0.7192 0.8343 -0.0237 -0.0231 0.0332 206 PHE A CB ? ? 1 +2343 C CB B PHE A 196 0.1754 0.7201 0.8350 -0.0237 -0.0231 0.0333 206 PHE A CB ? ? 1 +2344 C CG A PHE A 196 0.1663 0.7192 0.8312 -0.0272 -0.0237 0.0322 206 PHE A CG ? ? 1 +2345 C CG B PHE A 196 0.1669 0.7204 0.8321 -0.0271 -0.0238 0.0322 206 PHE A CG ? ? 1 +2346 C CD1 A PHE A 196 0.1572 0.7194 0.8271 -0.0269 -0.0242 0.0332 206 PHE A CD1 ? ? 1 +2347 C CD1 B PHE A 196 0.1582 0.7208 0.8283 -0.0269 -0.0242 0.0332 206 PHE A CD1 ? ? 1 +2348 C CD2 A PHE A 196 0.1683 0.7197 0.8332 -0.0306 -0.0241 0.0301 206 PHE A CD2 ? ? 1 +2349 C CD2 B PHE A 196 0.1693 0.7214 0.8345 -0.0305 -0.0241 0.0301 206 PHE A CD2 ? ? 1 +2350 C CE1 A PHE A 196 0.1500 0.7195 0.8245 -0.0298 -0.0248 0.0323 206 PHE A CE1 ? ? 1 +2351 C CE1 B PHE A 196 0.1510 0.7210 0.8257 -0.0298 -0.0248 0.0323 206 PHE A CE1 ? ? 1 +2352 C CE2 A PHE A 196 0.1608 0.7199 0.8304 -0.0333 -0.0250 0.0291 206 PHE A CE2 ? ? 1 +2353 C CE2 B PHE A 196 0.1618 0.7216 0.8317 -0.0332 -0.0250 0.0292 206 PHE A CE2 ? ? 1 +2354 C CZ A PHE A 196 0.1519 0.7199 0.8262 -0.0328 -0.0253 0.0303 206 PHE A CZ ? ? 1 +2355 C CZ B PHE A 196 0.1530 0.7215 0.8275 -0.0328 -0.0253 0.0304 206 PHE A CZ ? ? 1 +2356 N N A GLY A 197 0.1915 0.7218 0.8405 -0.0140 -0.0226 0.0361 207 GLY A N ? ? 1 +2357 N N B GLY A 197 0.1925 0.7225 0.8414 -0.0142 -0.0225 0.0361 207 GLY A N ? ? 1 +2358 C CA A GLY A 197 0.2026 0.7221 0.8446 -0.0117 -0.0220 0.0376 207 GLY A CA ? ? 1 +2359 C CA B GLY A 197 0.2034 0.7227 0.8453 -0.0119 -0.0220 0.0376 207 GLY A CA ? ? 1 +2360 C C A GLY A 197 0.2017 0.7237 0.8435 -0.0075 -0.0228 0.0397 207 GLY A C ? ? 1 +2361 C C B GLY A 197 0.2023 0.7241 0.8441 -0.0076 -0.0228 0.0397 207 GLY A C ? ? 1 +2362 O O A GLY A 197 0.2085 0.7234 0.8454 -0.0073 -0.0223 0.0417 207 GLY A O ? ? 1 +2363 O O B GLY A 197 0.2091 0.7240 0.8460 -0.0074 -0.0223 0.0417 207 GLY A O ? ? 1 +2364 N N A GLY A 198 0.1937 0.7254 0.8407 -0.0041 -0.0240 0.0391 208 GLY A N ? ? 1 +2365 N N B GLY A 198 0.1943 0.7258 0.8412 -0.0042 -0.0240 0.0390 208 GLY A N ? ? 1 +2366 C CA A GLY A 198 0.1920 0.7274 0.8397 -0.0001 -0.0252 0.0407 208 GLY A CA ? ? 1 +2367 C CA B GLY A 198 0.1924 0.7279 0.8402 -0.0002 -0.0252 0.0406 208 GLY A CA ? ? 1 +2368 C C A GLY A 198 0.1885 0.7260 0.8369 -0.0035 -0.0250 0.0427 208 GLY A C ? ? 1 +2369 C C B GLY A 198 0.1887 0.7264 0.8374 -0.0036 -0.0250 0.0426 208 GLY A C ? ? 1 +2370 O O A GLY A 198 0.1929 0.7262 0.8373 -0.0015 -0.0253 0.0447 208 GLY A O ? ? 1 +2371 O O B GLY A 198 0.1930 0.7265 0.8376 -0.0016 -0.0253 0.0445 208 GLY A O ? ? 1 +2372 N N A ALA A 199 0.1806 0.7245 0.8341 -0.0085 -0.0245 0.0420 209 ALA A N ? ? 1 +2373 N N B ALA A 199 0.1809 0.7251 0.8347 -0.0086 -0.0245 0.0420 209 ALA A N ? ? 1 +2374 C CA A ALA A 199 0.1771 0.7239 0.8322 -0.0120 -0.0240 0.0436 209 ALA A CA ? ? 1 +2375 C CA B ALA A 199 0.1777 0.7247 0.8329 -0.0121 -0.0240 0.0435 209 ALA A CA ? ? 1 +2376 C C A ALA A 199 0.1867 0.7229 0.8356 -0.0148 -0.0224 0.0451 209 ALA A C ? ? 1 +2377 C C B ALA A 199 0.1873 0.7237 0.8364 -0.0149 -0.0223 0.0450 209 ALA A C ? ? 1 +2378 O O A ALA A 199 0.1886 0.7228 0.8350 -0.0149 -0.0219 0.0472 209 ALA A O ? ? 1 +2379 O O B ALA A 199 0.1890 0.7236 0.8358 -0.0152 -0.0219 0.0471 209 ALA A O ? ? 1 +2380 C CB A ALA A 199 0.1674 0.7228 0.8290 -0.0163 -0.0239 0.0423 209 ALA A CB ? ? 1 +2381 C CB B ALA A 199 0.1681 0.7237 0.8298 -0.0164 -0.0239 0.0423 209 ALA A CB ? ? 1 +2382 N N A LEU A 200 0.1935 0.7225 0.8395 -0.0170 -0.0213 0.0440 210 LEU A N ? ? 1 +2383 N N B LEU A 200 0.1947 0.7238 0.8409 -0.0171 -0.0213 0.0439 210 LEU A N ? ? 1 +2384 C CA A LEU A 200 0.2044 0.7225 0.8445 -0.0201 -0.0194 0.0451 210 LEU A CA ? ? 1 +2385 C CA B LEU A 200 0.2062 0.7243 0.8463 -0.0201 -0.0194 0.0451 210 LEU A CA ? ? 1 +2386 C C A LEU A 200 0.2147 0.7237 0.8471 -0.0158 -0.0193 0.0473 210 LEU A C ? ? 1 +2387 C C B LEU A 200 0.2168 0.7261 0.8494 -0.0157 -0.0193 0.0472 210 LEU A C ? ? 1 +2388 O O A LEU A 200 0.2195 0.7238 0.8482 -0.0173 -0.0180 0.0494 210 LEU A O ? ? 1 +2389 O O B LEU A 200 0.2212 0.7264 0.8503 -0.0171 -0.0181 0.0494 210 LEU A O ? ? 1 +2390 C CB A LEU A 200 0.2104 0.7223 0.8487 -0.0226 -0.0187 0.0431 210 LEU A CB ? ? 1 +2391 C CB B LEU A 200 0.2126 0.7241 0.8507 -0.0224 -0.0188 0.0431 210 LEU A CB ? ? 1 +2392 C CG A LEU A 200 0.2193 0.7220 0.8538 -0.0279 -0.0165 0.0436 210 LEU A CG ? ? 1 +2393 C CG B LEU A 200 0.2211 0.7237 0.8556 -0.0278 -0.0166 0.0434 210 LEU A CG ? ? 1 +2394 C CD1 A LEU A 200 0.2249 0.7219 0.8578 -0.0300 -0.0163 0.0412 210 LEU A CD1 ? ? 1 +2395 C CD1 B LEU A 200 0.2273 0.7237 0.8598 -0.0295 -0.0164 0.0411 210 LEU A CD1 ? ? 1 +2396 C CD2 A LEU A 200 0.2310 0.7227 0.8573 -0.0261 -0.0152 0.0461 210 LEU A CD2 ? ? 1 +2397 C CD2 B LEU A 200 0.2325 0.7243 0.8591 -0.0265 -0.0151 0.0460 210 LEU A CD2 ? ? 1 +2398 N N A PHE A 201 0.2188 0.7250 0.8485 -0.0102 -0.0206 0.0468 211 PHE A N ? ? 1 +2399 N N B PHE A 201 0.2218 0.7280 0.8515 -0.0101 -0.0206 0.0467 211 PHE A N ? ? 1 +2400 C CA A PHE A 201 0.2294 0.7263 0.8512 -0.0053 -0.0209 0.0486 211 PHE A CA ? ? 1 +2401 C CA B PHE A 201 0.2327 0.7298 0.8546 -0.0052 -0.0209 0.0485 211 PHE A CA ? ? 1 +2402 C C A PHE A 201 0.2252 0.7276 0.8479 -0.0024 -0.0222 0.0504 211 PHE A C ? ? 1 +2403 C C B PHE A 201 0.2280 0.7306 0.8508 -0.0023 -0.0222 0.0504 211 PHE A C ? ? 1 +2404 O O A PHE A 201 0.2335 0.7279 0.8491 -0.0002 -0.0219 0.0526 211 PHE A O ? ? 1 +2405 O O B PHE A 201 0.2359 0.7305 0.8516 -0.0002 -0.0220 0.0525 211 PHE A O ? ? 1 +2406 C CB A PHE A 201 0.2346 0.7282 0.8541 0.0002 -0.0221 0.0472 211 PHE A CB ? ? 1 +2407 C CB B PHE A 201 0.2388 0.7324 0.8583 0.0003 -0.0221 0.0472 211 PHE A CB ? ? 1 +2408 C CG A PHE A 201 0.2405 0.7270 0.8577 -0.0024 -0.0207 0.0454 211 PHE A CG ? ? 1 +2409 C CG B PHE A 201 0.2450 0.7315 0.8623 -0.0024 -0.0208 0.0454 211 PHE A CG ? ? 1 +2410 C CD1 A PHE A 201 0.2493 0.7254 0.8613 -0.0072 -0.0186 0.0461 211 PHE A CD1 ? ? 1 +2411 C CD1 B PHE A 201 0.2539 0.7303 0.8661 -0.0073 -0.0186 0.0460 211 PHE A CD1 ? ? 1 +2412 C CD2 A PHE A 201 0.2378 0.7277 0.8579 -0.0003 -0.0215 0.0430 211 PHE A CD2 ? ? 1 +2413 C CD2 B PHE A 201 0.2424 0.7324 0.8625 -0.0001 -0.0216 0.0430 211 PHE A CD2 ? ? 1 +2414 C CE1 A PHE A 201 0.2548 0.7242 0.8646 -0.0098 -0.0176 0.0443 211 PHE A CE1 ? ? 1 +2415 C CE1 B PHE A 201 0.2591 0.7289 0.8692 -0.0098 -0.0177 0.0441 211 PHE A CE1 ? ? 1 +2416 C CE2 A PHE A 201 0.2437 0.7266 0.8611 -0.0026 -0.0205 0.0412 211 PHE A CE2 ? ? 1 +2417 C CE2 B PHE A 201 0.2481 0.7312 0.8656 -0.0024 -0.0205 0.0412 211 PHE A CE2 ? ? 1 +2418 C CZ A PHE A 201 0.2519 0.7246 0.8642 -0.0074 -0.0187 0.0418 211 PHE A CZ ? ? 1 +2419 C CZ B PHE A 201 0.2561 0.7292 0.8687 -0.0073 -0.0188 0.0417 211 PHE A CZ ? ? 1 +2420 N N A CYS A 202 0.2128 0.7283 0.8437 -0.0026 -0.0235 0.0495 212 CYS A N ? ? 1 +2421 N N B CYS A 202 0.2158 0.7314 0.8467 -0.0024 -0.0236 0.0494 212 CYS A N ? ? 1 +2422 C CA A CYS A 202 0.2086 0.7305 0.8412 -0.0007 -0.0248 0.0508 212 CYS A CA ? ? 1 +2423 C CA B CYS A 202 0.2118 0.7338 0.8445 -0.0006 -0.0248 0.0508 212 CYS A CA ? ? 1 +2424 C C A CYS A 202 0.2119 0.7297 0.8412 -0.0048 -0.0229 0.0530 212 CYS A C ? ? 1 +2425 C C B CYS A 202 0.2158 0.7335 0.8451 -0.0047 -0.0230 0.0529 212 CYS A C ? ? 1 +2426 O O A CYS A 202 0.2189 0.7312 0.8422 -0.0023 -0.0231 0.0551 212 CYS A O ? ? 1 +2427 O O B CYS A 202 0.2226 0.7347 0.8458 -0.0021 -0.0232 0.0550 212 CYS A O ? ? 1 +2428 C CB A CYS A 202 0.1950 0.7311 0.8371 -0.0012 -0.0261 0.0492 212 CYS A CB ? ? 1 +2429 C CB B CYS A 202 0.1981 0.7343 0.8403 -0.0012 -0.0261 0.0492 212 CYS A CB ? ? 1 +2430 S SG A CYS A 202 0.1901 0.7346 0.8349 0.0012 -0.0280 0.0504 212 CYS A SG ? ? 1 +2431 S SG B CYS A 202 0.1937 0.7384 0.8387 0.0012 -0.0280 0.0504 212 CYS A SG ? ? 1 +2432 N N A ALA A 203 0.2072 0.7275 0.8404 -0.0110 -0.0211 0.0524 213 ALA A N ? ? 1 +2433 N N B ALA A 203 0.2115 0.7318 0.8446 -0.0109 -0.0211 0.0523 213 ALA A N ? ? 1 +2434 C CA A ALA A 203 0.2096 0.7269 0.8406 -0.0154 -0.0189 0.0541 213 ALA A CA ? ? 1 +2435 C CA B ALA A 203 0.2142 0.7312 0.8451 -0.0153 -0.0189 0.0541 213 ALA A CA ? ? 1 +2436 C C A ALA A 203 0.2244 0.7269 0.8456 -0.0156 -0.0169 0.0558 213 ALA A C ? ? 1 +2437 C C B ALA A 203 0.2294 0.7316 0.8505 -0.0154 -0.0169 0.0558 213 ALA A C ? ? 1 +2438 O O A ALA A 203 0.2303 0.7277 0.8463 -0.0158 -0.0156 0.0581 213 ALA A O ? ? 1 +2439 O O B ALA A 203 0.2352 0.7324 0.8512 -0.0159 -0.0156 0.0580 213 ALA A O ? ? 1 +2440 C CB A ALA A 203 0.2021 0.7252 0.8397 -0.0218 -0.0174 0.0527 213 ALA A CB ? ? 1 +2441 C CB B ALA A 203 0.2069 0.7295 0.8442 -0.0217 -0.0174 0.0527 213 ALA A CB ? ? 1 +2442 N N A MET A 204 0.2314 0.7267 0.8498 -0.0154 -0.0165 0.0547 214 MET A N ? ? 1 +2443 N N B MET A 204 0.2375 0.7324 0.8555 -0.0148 -0.0167 0.0547 214 MET A N ? ? 1 +2444 C CA A MET A 204 0.2474 0.7276 0.8557 -0.0147 -0.0148 0.0562 214 MET A CA ? ? 1 +2445 C CA B MET A 204 0.2540 0.7339 0.8623 -0.0149 -0.0147 0.0561 214 MET A CA ? ? 1 +2446 C C A MET A 204 0.2546 0.7296 0.8556 -0.0087 -0.0160 0.0586 214 MET A C ? ? 1 +2447 C C B MET A 204 0.2630 0.7361 0.8632 -0.0088 -0.0158 0.0585 214 MET A C ? ? 1 +2448 O O A MET A 204 0.2599 0.7296 0.8557 -0.0099 -0.0144 0.0609 214 MET A O ? ? 1 +2449 O O B MET A 204 0.2714 0.7361 0.8646 -0.0099 -0.0138 0.0608 214 MET A O ? ? 1 +2450 C CB A MET A 204 0.2535 0.7279 0.8599 -0.0135 -0.0151 0.0544 214 MET A CB ? ? 1 +2451 C CB B MET A 204 0.2602 0.7348 0.8673 -0.0145 -0.0149 0.0541 214 MET A CB ? ? 1 +2452 C CG A MET A 204 0.2658 0.7280 0.8665 -0.0180 -0.0123 0.0546 214 MET A CG ? ? 1 +2453 C CG B MET A 204 0.2767 0.7364 0.8755 -0.0171 -0.0122 0.0549 214 MET A CG ? ? 1 +2454 S SD A MET A 204 0.2615 0.7281 0.8678 -0.0272 -0.0094 0.0544 214 MET A SD ? ? 1 +2455 S SD B MET A 204 0.2773 0.7379 0.8807 -0.0270 -0.0092 0.0538 214 MET A SD ? ? 1 +2456 C CE A MET A 204 0.2803 0.7288 0.8750 -0.0295 -0.0057 0.0569 214 MET A CE ? ? 1 +2457 C CE B MET A 204 0.2950 0.7394 0.8872 -0.0289 -0.0056 0.0568 214 MET A CE ? ? 1 +2458 N N A HIS A 205 0.2547 0.7312 0.8554 -0.0022 -0.0188 0.0578 215 HIS A N ? ? 1 +2459 N N B HIS A 205 0.2612 0.7382 0.8623 -0.0024 -0.0188 0.0577 215 HIS A N ? ? 1 +2460 C CA A HIS A 205 0.2627 0.7340 0.8564 0.0043 -0.0206 0.0597 215 HIS A CA ? ? 1 +2461 C CA B HIS A 205 0.2696 0.7413 0.8637 0.0041 -0.0206 0.0596 215 HIS A CA ? ? 1 +2462 C C A HIS A 205 0.2600 0.7352 0.8533 0.0038 -0.0207 0.0616 215 HIS A C ? ? 1 +2463 C C B HIS A 205 0.2673 0.7427 0.8609 0.0039 -0.0208 0.0615 215 HIS A C ? ? 1 +2464 O O A HIS A 205 0.2705 0.7363 0.8548 0.0060 -0.0203 0.0640 215 HIS A O ? ? 1 +2465 O O B HIS A 205 0.2776 0.7436 0.8622 0.0061 -0.0203 0.0639 215 HIS A O ? ? 1 +2466 C CB A HIS A 205 0.2590 0.7369 0.8562 0.0109 -0.0240 0.0581 215 HIS A CB ? ? 1 +2467 C CB B HIS A 205 0.2659 0.7440 0.8634 0.0108 -0.0240 0.0579 215 HIS A CB ? ? 1 +2468 C CG A HIS A 205 0.2675 0.7405 0.8578 0.0180 -0.0263 0.0597 215 HIS A CG ? ? 1 +2469 C CG B HIS A 205 0.2737 0.7470 0.8645 0.0180 -0.0263 0.0595 215 HIS A CG ? ? 1 +2470 N ND1 A HIS A 205 0.2838 0.7414 0.8627 0.0207 -0.0255 0.0614 215 HIS A ND1 ? ? 1 +2471 N ND1 B HIS A 205 0.2904 0.7485 0.8699 0.0208 -0.0256 0.0612 215 HIS A ND1 ? ? 1 +2472 C CD2 A HIS A 205 0.2627 0.7438 0.8558 0.0226 -0.0293 0.0597 215 HIS A CD2 ? ? 1 +2473 C CD2 B HIS A 205 0.2687 0.7503 0.8624 0.0227 -0.0294 0.0594 215 HIS A CD2 ? ? 1 +2474 C CE1 A HIS A 205 0.2884 0.7454 0.8633 0.0273 -0.0283 0.0625 215 HIS A CE1 ? ? 1 +2475 C CE1 B HIS A 205 0.2945 0.7520 0.8701 0.0275 -0.0285 0.0622 215 HIS A CE1 ? ? 1 +2476 N NE2 A HIS A 205 0.2764 0.7476 0.8599 0.0285 -0.0308 0.0614 215 HIS A NE2 ? ? 1 +2477 N NE2 B HIS A 205 0.2821 0.7540 0.8664 0.0288 -0.0309 0.0610 215 HIS A NE2 ? ? 1 +2478 N N A GLY A 206 0.2467 0.7353 0.8495 0.0012 -0.0213 0.0605 216 GLY A N ? ? 1 +2479 N N B GLY A 206 0.2548 0.7436 0.8577 0.0013 -0.0214 0.0604 216 GLY A N ? ? 1 +2480 C CA A GLY A 206 0.2439 0.7372 0.8472 0.0003 -0.0213 0.0619 216 GLY A CA ? ? 1 +2481 C CA B GLY A 206 0.2530 0.7464 0.8564 0.0005 -0.0215 0.0619 216 GLY A CA ? ? 1 +2482 C C A GLY A 206 0.2528 0.7372 0.8499 -0.0043 -0.0177 0.0641 216 GLY A C ? ? 1 +2483 C C B GLY A 206 0.2626 0.7473 0.8600 -0.0042 -0.0178 0.0641 216 GLY A C ? ? 1 +2484 O O A GLY A 206 0.2585 0.7388 0.8495 -0.0026 -0.0175 0.0663 216 GLY A O ? ? 1 +2485 O O B GLY A 206 0.2687 0.7492 0.8599 -0.0025 -0.0176 0.0662 216 GLY A O ? ? 1 +2486 N N A SER A 207 0.2547 0.7363 0.8535 -0.0103 -0.0148 0.0634 217 SER A N ? ? 1 +2487 N N B SER A 207 0.2653 0.7476 0.8646 -0.0102 -0.0149 0.0633 217 SER A N ? ? 1 +2488 C CA A SER A 207 0.2627 0.7375 0.8575 -0.0156 -0.0109 0.0651 217 SER A CA ? ? 1 +2489 C CA B SER A 207 0.2744 0.7500 0.8698 -0.0156 -0.0110 0.0650 217 SER A CA ? ? 1 +2490 C C A SER A 207 0.2823 0.7405 0.8644 -0.0136 -0.0092 0.0674 217 SER A C ? ? 1 +2491 C C B SER A 207 0.2962 0.7551 0.8789 -0.0138 -0.0093 0.0673 217 SER A C ? ? 1 +2492 O O A SER A 207 0.2904 0.7420 0.8660 -0.0148 -0.0069 0.0698 217 SER A O ? ? 1 +2493 O O B SER A 207 0.3049 0.7574 0.8815 -0.0154 -0.0067 0.0696 217 SER A O ? ? 1 +2494 C CB A SER A 207 0.2569 0.7349 0.8584 -0.0227 -0.0085 0.0633 217 SER A CB ? ? 1 +2495 C CB B SER A 207 0.2676 0.7466 0.8699 -0.0226 -0.0087 0.0631 217 SER A CB ? ? 1 +2496 O OG A SER A 207 0.2610 0.7331 0.8613 -0.0231 -0.0084 0.0619 217 SER A OG ? ? 1 +2497 O OG B SER A 207 0.2719 0.7442 0.8724 -0.0232 -0.0084 0.0618 217 SER A OG ? ? 1 +2498 N N A LEU A 208 0.2915 0.7425 0.8696 -0.0102 -0.0104 0.0668 218 LEU A N ? ? 1 +2499 N N B LEU A 208 0.3078 0.7594 0.8863 -0.0101 -0.0105 0.0667 218 LEU A N ? ? 1 +2500 C CA A LEU A 208 0.3113 0.7455 0.8768 -0.0081 -0.0089 0.0689 218 LEU A CA ? ? 1 +2501 C CA B LEU A 208 0.3297 0.7643 0.8956 -0.0083 -0.0088 0.0688 218 LEU A CA ? ? 1 +2502 C C A LEU A 208 0.3207 0.7506 0.8781 -0.0017 -0.0108 0.0712 218 LEU A C ? ? 1 +2503 C C B LEU A 208 0.3391 0.7692 0.8967 -0.0018 -0.0107 0.0712 218 LEU A C ? ? 1 +2504 O O A LEU A 208 0.3333 0.7518 0.8808 -0.0021 -0.0084 0.0738 218 LEU A O ? ? 1 +2505 O O B LEU A 208 0.3522 0.7707 0.8998 -0.0022 -0.0083 0.0738 218 LEU A O ? ? 1 +2506 C CB A LEU A 208 0.3164 0.7446 0.8801 -0.0056 -0.0099 0.0673 218 LEU A CB ? ? 1 +2507 C CB B LEU A 208 0.3374 0.7655 0.9011 -0.0060 -0.0097 0.0674 218 LEU A CB ? ? 1 +2508 C CG A LEU A 208 0.3147 0.7420 0.8827 -0.0124 -0.0074 0.0654 218 LEU A CG ? ? 1 +2509 C CG B LEU A 208 0.3380 0.7655 0.9062 -0.0129 -0.0072 0.0654 218 LEU A CG ? ? 1 +2510 C CD1 A LEU A 208 0.3210 0.7413 0.8860 -0.0097 -0.0084 0.0639 218 LEU A CD1 ? ? 1 +2511 C CD1 B LEU A 208 0.3454 0.7666 0.9112 -0.0103 -0.0082 0.0638 218 LEU A CD1 ? ? 1 +2512 C CD2 A LEU A 208 0.3240 0.7416 0.8868 -0.0188 -0.0028 0.0670 218 LEU A CD2 ? ? 1 +2513 C CD2 B LEU A 208 0.3473 0.7647 0.9102 -0.0194 -0.0025 0.0670 218 LEU A CD2 ? ? 1 +2514 N N A VAL A 209 0.3159 0.7552 0.8776 0.0042 -0.0151 0.0702 219 VAL A N ? ? 1 +2515 N N B VAL A 209 0.3344 0.7737 0.8961 0.0041 -0.0150 0.0702 219 VAL A N ? ? 1 +2516 C CA A VAL A 209 0.3240 0.7611 0.8792 0.0105 -0.0176 0.0720 219 VAL A CA ? ? 1 +2517 C CA B VAL A 209 0.3425 0.7796 0.8977 0.0105 -0.0176 0.0720 219 VAL A CA ? ? 1 +2518 C C A VAL A 209 0.3255 0.7648 0.8797 0.0073 -0.0158 0.0738 219 VAL A C ? ? 1 +2519 C C B VAL A 209 0.3439 0.7833 0.8982 0.0074 -0.0159 0.0738 219 VAL A C ? ? 1 +2520 O O A VAL A 209 0.3383 0.7674 0.8819 0.0093 -0.0150 0.0764 219 VAL A O ? ? 1 +2521 O O B VAL A 209 0.3574 0.7868 0.9010 0.0097 -0.0152 0.0763 219 VAL A O ? ? 1 +2522 C CB A VAL A 209 0.3141 0.7628 0.8759 0.0168 -0.0226 0.0701 219 VAL A CB ? ? 1 +2523 C CB B VAL A 209 0.3325 0.7810 0.8942 0.0168 -0.0226 0.0701 219 VAL A CB ? ? 1 +2524 C CG1 A VAL A 209 0.3173 0.7661 0.8739 0.0223 -0.0254 0.0717 219 VAL A CG1 ? ? 1 +2525 C CG1 B VAL A 209 0.3352 0.7836 0.8916 0.0226 -0.0255 0.0717 219 VAL A CG1 ? ? 1 +2526 C CG2 A VAL A 209 0.3189 0.7634 0.8795 0.0212 -0.0242 0.0687 219 VAL A CG2 ? ? 1 +2527 C CG2 B VAL A 209 0.3372 0.7815 0.8979 0.0210 -0.0241 0.0687 219 VAL A CG2 ? ? 1 +2528 N N A THR A 210 0.3149 0.7672 0.8798 0.0025 -0.0153 0.0723 220 THR A N ? ? 1 +2529 N N B THR A 210 0.3338 0.7861 0.8987 0.0025 -0.0153 0.0723 220 THR A N ? ? 1 +2530 C CA A THR A 210 0.3158 0.7712 0.8808 -0.0006 -0.0135 0.0736 220 THR A CA ? ? 1 +2531 C CA B THR A 210 0.3348 0.7902 0.8997 -0.0006 -0.0135 0.0737 220 THR A CA ? ? 1 +2532 C C A THR A 210 0.3321 0.7743 0.8883 -0.0051 -0.0085 0.0760 220 THR A C ? ? 1 +2533 C C B THR A 210 0.3504 0.7932 0.9071 -0.0054 -0.0084 0.0759 220 THR A C ? ? 1 +2534 O O A THR A 210 0.3401 0.7769 0.8889 -0.0046 -0.0071 0.0782 220 THR A O ? ? 1 +2535 O O B THR A 210 0.3583 0.7970 0.9087 -0.0054 -0.0069 0.0781 220 THR A O ? ? 1 +2536 C CB A THR A 210 0.2983 0.7693 0.8765 -0.0050 -0.0136 0.0715 220 THR A CB ? ? 1 +2537 C CB B THR A 210 0.3166 0.7879 0.8948 -0.0048 -0.0137 0.0715 220 THR A CB ? ? 1 +2538 O OG1 A THR A 210 0.2875 0.7696 0.8725 -0.0005 -0.0180 0.0696 220 THR A OG1 ? ? 1 +2539 O OG1 B THR A 210 0.3049 0.7869 0.8897 -0.0001 -0.0182 0.0696 220 THR A OG1 ? ? 1 +2540 C CG2 A THR A 210 0.2949 0.7695 0.8737 -0.0085 -0.0114 0.0727 220 THR A CG2 ? ? 1 +2541 C CG2 B THR A 210 0.3128 0.7877 0.8916 -0.0083 -0.0116 0.0726 220 THR A CG2 ? ? 1 +2542 N N A SER A 211 0.3398 0.7762 0.8963 -0.0093 -0.0057 0.0753 221 SER A N ? ? 1 +2543 N N B SER A 211 0.3587 0.7952 0.9153 -0.0094 -0.0057 0.0753 221 SER A N ? ? 1 +2544 C CA A SER A 211 0.3551 0.7797 0.9048 -0.0147 -0.0005 0.0771 221 SER A CA ? ? 1 +2545 C CA B SER A 211 0.3741 0.7991 0.9240 -0.0149 -0.0004 0.0771 221 SER A CA ? ? 1 +2546 C C A SER A 211 0.3778 0.7855 0.9120 -0.0105 0.0004 0.0801 221 SER A C ? ? 1 +2547 C C B SER A 211 0.3970 0.8050 0.9315 -0.0110 0.0006 0.0801 221 SER A C ? ? 1 +2548 O O A SER A 211 0.3877 0.7856 0.9145 -0.0141 0.0048 0.0822 221 SER A O ? ? 1 +2549 O O B SER A 211 0.4054 0.8039 0.9327 -0.0147 0.0050 0.0822 221 SER A O ? ? 1 +2550 C CB A SER A 211 0.3552 0.7770 0.9085 -0.0198 0.0017 0.0753 221 SER A CB ? ? 1 +2551 C CB B SER A 211 0.3733 0.7956 0.9270 -0.0201 0.0018 0.0753 221 SER A CB ? ? 1 +2552 O OG A SER A 211 0.3401 0.7768 0.9069 -0.0237 0.0009 0.0726 221 SER A OG ? ? 1 +2553 O OG B SER A 211 0.3610 0.7970 0.9274 -0.0255 0.0023 0.0730 221 SER A OG ? ? 1 +2554 N N A SER A 212 0.3862 0.7907 0.9157 -0.0029 -0.0038 0.0802 222 SER A N ? ? 1 +2555 N N B SER A 212 0.4068 0.8109 0.9361 -0.0034 -0.0034 0.0803 222 SER A N ? ? 1 +2556 C CA A SER A 212 0.4092 0.7968 0.9235 0.0018 -0.0035 0.0828 222 SER A CA ? ? 1 +2557 C CA B SER A 212 0.4307 0.8177 0.9447 0.0012 -0.0030 0.0830 222 SER A CA ? ? 1 +2558 C C A SER A 212 0.4150 0.8035 0.9238 0.0093 -0.0074 0.0842 222 SER A C ? ? 1 +2559 C C B SER A 212 0.4358 0.8237 0.9442 0.0089 -0.0070 0.0843 222 SER A C ? ? 1 +2560 O O A SER A 212 0.4267 0.8042 0.9248 0.0157 -0.0093 0.0856 222 SER A O ? ? 1 +2561 O O B SER A 212 0.4471 0.8236 0.9446 0.0151 -0.0088 0.0858 222 SER A O ? ? 1 +2562 C CB A SER A 212 0.4174 0.7967 0.9284 0.0048 -0.0046 0.0820 222 SER A CB ? ? 1 +2563 C CB B SER A 212 0.4405 0.8184 0.9506 0.0036 -0.0037 0.0823 222 SER A CB ? ? 1 +2564 O OG A SER A 212 0.4071 0.7982 0.9267 0.0095 -0.0095 0.0794 222 SER A OG ? ? 1 +2565 O OG B SER A 212 0.4320 0.8211 0.9508 0.0081 -0.0084 0.0797 222 SER A OG ? ? 1 +2566 N N A LEU A 213 0.4080 0.8094 0.9239 0.0086 -0.0087 0.0837 223 LEU A N ? ? 1 +2567 N N B LEU A 213 0.4281 0.8293 0.9439 0.0084 -0.0086 0.0837 223 LEU A N ? ? 1 +2568 C CA A LEU A 213 0.4152 0.8177 0.9259 0.0149 -0.0122 0.0848 223 LEU A CA ? ? 1 +2569 C CA B LEU A 213 0.4352 0.8376 0.9459 0.0147 -0.0121 0.0849 223 LEU A CA ? ? 1 +2570 C C A LEU A 213 0.4403 0.8266 0.9355 0.0154 -0.0092 0.0884 223 LEU A C ? ? 1 +2571 C C B LEU A 213 0.4619 0.8482 0.9572 0.0151 -0.0090 0.0884 223 LEU A C ? ? 1 +2572 O O A LEU A 213 0.4442 0.8262 0.9375 0.0090 -0.0040 0.0896 223 LEU A O ? ? 1 +2573 O O B LEU A 213 0.4672 0.8494 0.9608 0.0087 -0.0038 0.0896 223 LEU A O ? ? 1 +2574 C CB A LEU A 213 0.3982 0.8170 0.9194 0.0130 -0.0136 0.0835 223 LEU A CB ? ? 1 +2575 C CB B LEU A 213 0.4170 0.8357 0.9382 0.0130 -0.0136 0.0835 223 LEU A CB ? ? 1 +2576 C CG A LEU A 213 0.3794 0.8147 0.9155 0.0128 -0.0168 0.0801 223 LEU A CG ? ? 1 +2577 C CG B LEU A 213 0.3973 0.8324 0.9333 0.0127 -0.0167 0.0802 223 LEU A CG ? ? 1 +2578 C CD1 A LEU A 213 0.3655 0.8146 0.9094 0.0119 -0.0183 0.0792 223 LEU A CD1 ? ? 1 +2579 C CD1 B LEU A 213 0.3824 0.8313 0.9263 0.0116 -0.0182 0.0792 223 LEU A CD1 ? ? 1 +2580 C CD2 A LEU A 213 0.3819 0.8179 0.9178 0.0201 -0.0217 0.0789 223 LEU A CD2 ? ? 1 +2581 C CD2 B LEU A 213 0.4007 0.8367 0.9366 0.0202 -0.0217 0.0789 223 LEU A CD2 ? ? 1 +2582 N N A ILE A 214 0.4625 0.8399 0.9466 0.0231 -0.0125 0.0899 224 ILE A N ? ? 1 +2583 N N B ILE A 214 0.4877 0.8649 0.9717 0.0228 -0.0122 0.0900 224 ILE A N ? ? 1 +2584 C CA A ILE A 214 0.4891 0.8503 0.9570 0.0247 -0.0101 0.0934 224 ILE A CA ? ? 1 +2585 C CA B ILE A 214 0.5163 0.8775 0.9842 0.0243 -0.0098 0.0935 224 ILE A CA ? ? 1 +2586 C C A ILE A 214 0.4939 0.8607 0.9613 0.0238 -0.0098 0.0943 224 ILE A C ? ? 1 +2587 C C B ILE A 214 0.5213 0.8889 0.9896 0.0230 -0.0093 0.0943 224 ILE A C ? ? 1 +2588 O O A ILE A 214 0.4847 0.8637 0.9582 0.0275 -0.0145 0.0928 224 ILE A O ? ? 1 +2589 O O B ILE A 214 0.5100 0.8915 0.9866 0.0255 -0.0136 0.0925 224 ILE A O ? ? 1 +2590 C CB A ILE A 214 0.5039 0.8541 0.9601 0.0339 -0.0142 0.0945 224 ILE A CB ? ? 1 +2591 C CB B ILE A 214 0.5317 0.8821 0.9879 0.0337 -0.0141 0.0946 224 ILE A CB ? ? 1 +2592 C CG1 A ILE A 214 0.5102 0.8521 0.9650 0.0343 -0.0134 0.0939 224 ILE A CG1 ? ? 1 +2593 C CG1 B ILE A 214 0.5379 0.8803 0.9927 0.0345 -0.0137 0.0940 224 ILE A CG1 ? ? 1 +2594 C CG2 A ILE A 214 0.5238 0.8580 0.9626 0.0366 -0.0126 0.0982 224 ILE A CG2 ? ? 1 +2595 C CG2 B ILE A 214 0.5530 0.8872 0.9915 0.0364 -0.0124 0.0983 224 ILE A CG2 ? ? 1 +2596 C CD1 A ILE A 214 0.5180 0.8559 0.9676 0.0440 -0.0190 0.0936 224 ILE A CD1 ? ? 1 +2597 C CD1 B ILE A 214 0.5446 0.8847 0.9954 0.0443 -0.0196 0.0934 224 ILE A CD1 ? ? 1 +2598 N N A ARG A 215 0.5122 0.8698 0.9721 0.0188 -0.0040 0.0967 225 ARG A N ? ? 1 +2599 N N B ARG A 215 0.5431 0.9001 1.0023 0.0188 -0.0039 0.0969 225 ARG A N ? ? 1 +2600 C CA A ARG A 215 0.5186 0.8804 0.9774 0.0173 -0.0029 0.0976 225 ARG A CA ? ? 1 +2601 C CA B ARG A 215 0.5519 0.9131 1.0100 0.0173 -0.0026 0.0978 225 ARG A CA ? ? 1 +2602 C C A ARG A 215 0.5310 0.8899 0.9804 0.0257 -0.0079 0.0988 225 ARG A C ? ? 1 +2603 C C B ARG A 215 0.5591 0.9174 1.0077 0.0257 -0.0078 0.0989 225 ARG A C ? ? 1 +2604 O O A ARG A 215 0.5488 0.8917 0.9826 0.0302 -0.0078 0.1014 225 ARG A O ? ? 1 +2605 O O B ARG A 215 0.5753 0.9176 1.0083 0.0300 -0.0076 0.1016 225 ARG A O ? ? 1 +2606 C CB A ARG A 215 0.5346 0.8844 0.9849 0.0111 0.0046 0.1003 225 ARG A CB ? ? 1 +2607 C CB B ARG A 215 0.5746 0.9238 1.0242 0.0110 0.0049 0.1004 225 ARG A CB ? ? 1 +2608 C CG A ARG A 215 0.5366 0.8904 0.9856 0.0092 0.0066 0.1012 225 ARG A CG ? ? 1 +2609 C CG B ARG A 215 0.5840 0.9370 1.0320 0.0093 0.0068 0.1015 225 ARG A CG ? ? 1 +2610 C CD A ARG A 215 0.5481 0.8945 0.9939 0.0013 0.0147 0.1029 225 ARG A CD ? ? 1 +2611 C CD B ARG A 215 0.6023 0.9489 1.0479 0.0012 0.0149 0.1030 225 ARG A CD ? ? 1 +2612 N NE A ARG A 215 0.5749 0.9008 1.0052 0.0018 0.0183 0.1058 225 ARG A NE ? ? 1 +2613 N NE B ARG A 215 0.6377 0.9639 1.0680 0.0011 0.0189 0.1059 225 ARG A NE ? ? 1 +2614 C CZ A ARG A 215 0.5863 0.9050 1.0170 -0.0036 0.0228 0.1059 225 ARG A CZ ? ? 1 +2615 C CZ B ARG A 215 0.6584 0.9781 1.0898 -0.0047 0.0237 0.1060 225 ARG A CZ ? ? 1 +2616 N NH1 A ARG A 215 0.5730 0.9032 1.0187 -0.0102 0.0245 0.1033 225 ARG A NH1 ? ? 1 +2617 N NH1 B ARG A 215 0.6459 0.9777 1.0927 -0.0109 0.0249 0.1032 225 ARG A NH1 ? ? 1 +2618 N NH2 A ARG A 215 0.6092 0.9082 1.0244 -0.0024 0.0256 0.1087 225 ARG A NH2 ? ? 1 +2619 N NH2 B ARG A 215 0.6867 0.9866 1.1028 -0.0043 0.0272 0.1088 225 ARG A NH2 ? ? 1 +2620 N N A GLU A 216 0.5246 0.8990 0.9833 0.0278 -0.0124 0.0967 226 GLU A N ? ? 1 +2621 N N B GLU A 216 0.5484 0.9223 1.0066 0.0279 -0.0124 0.0968 226 GLU A N ? ? 1 +2622 C CA A GLU A 216 0.5367 0.9113 0.9888 0.0355 -0.0179 0.0971 226 GLU A CA ? ? 1 +2623 C CA B GLU A 216 0.5570 0.9311 1.0086 0.0355 -0.0179 0.0972 226 GLU A CA ? ? 1 +2624 C C A GLU A 216 0.5367 0.9211 0.9927 0.0335 -0.0180 0.0966 226 GLU A C ? ? 1 +2625 C C B GLU A 216 0.5542 0.9376 1.0092 0.0335 -0.0177 0.0968 226 GLU A C ? ? 1 +2626 O O A GLU A 216 0.5390 0.9262 0.9916 0.0391 -0.0228 0.0963 226 GLU A O ? ? 1 +2627 O O B GLU A 216 0.5584 0.9431 1.0085 0.0391 -0.0222 0.0969 226 GLU A O ? ? 1 +2628 C CB A GLU A 216 0.5266 0.9114 0.9870 0.0415 -0.0248 0.0943 226 GLU A CB ? ? 1 +2629 C CB B GLU A 216 0.5458 0.9305 1.0059 0.0415 -0.0249 0.0943 226 GLU A CB ? ? 1 +2630 C CG A GLU A 216 0.5362 0.9110 0.9915 0.0452 -0.0258 0.0946 226 GLU A CG ? ? 1 +2631 C CG B GLU A 216 0.5540 0.9297 1.0101 0.0451 -0.0259 0.0945 226 GLU A CG ? ? 1 +2632 C CD A GLU A 216 0.5580 0.9171 0.9960 0.0530 -0.0282 0.0971 226 GLU A CD ? ? 1 +2633 C CD B GLU A 216 0.5775 0.9364 1.0159 0.0525 -0.0278 0.0971 226 GLU A CD ? ? 1 +2634 O OE1 A GLU A 216 0.5642 0.9211 0.9944 0.0559 -0.0299 0.0984 226 GLU A OE1 ? ? 1 +2635 O OE1 B GLU A 216 0.5872 0.9409 1.0157 0.0550 -0.0285 0.0989 226 GLU A OE1 ? ? 1 +2636 O OE2 A GLU A 216 0.5701 0.9187 1.0019 0.0564 -0.0286 0.0978 226 GLU A OE2 ? ? 1 +2637 O OE2 B GLU A 216 0.5882 0.9388 1.0224 0.0560 -0.0288 0.0973 226 GLU A OE2 ? ? 1 +2638 N N A THR A 217 0.5374 0.9273 1.0008 0.0255 -0.0127 0.0963 227 THR A N ? ? 1 +2639 N N B THR A 217 0.5487 0.9387 1.0122 0.0255 -0.0128 0.0963 227 THR A N ? ? 1 +2640 C CA A THR A 217 0.5352 0.9367 1.0053 0.0230 -0.0126 0.0953 227 THR A CA ? ? 1 +2641 C CA B THR A 217 0.5431 0.9448 1.0133 0.0230 -0.0127 0.0952 227 THR A CA ? ? 1 +2642 C C A THR A 217 0.5468 0.9439 1.0146 0.0158 -0.0051 0.0969 227 THR A C ? ? 1 +2643 C C B THR A 217 0.5501 0.9472 1.0179 0.0158 -0.0052 0.0969 227 THR A C ? ? 1 +2644 O O A THR A 217 0.5486 0.9375 1.0144 0.0113 -0.0001 0.0980 227 THR A O ? ? 1 +2645 O O B THR A 217 0.5487 0.9376 1.0145 0.0114 -0.0002 0.0980 227 THR A O ? ? 1 +2646 C CB A THR A 217 0.5148 0.9350 1.0030 0.0212 -0.0157 0.0917 227 THR A CB ? ? 1 +2647 C CB B THR A 217 0.5229 0.9433 1.0113 0.0211 -0.0157 0.0916 227 THR A CB ? ? 1 +2648 O OG1 A THR A 217 0.5117 0.9330 1.0074 0.0166 -0.0128 0.0908 227 THR A OG1 ? ? 1 +2649 O OG1 B THR A 217 0.5206 0.9420 1.0165 0.0165 -0.0128 0.0908 227 THR A OG1 ? ? 1 +2650 C CG2 A THR A 217 0.5108 0.9382 1.0021 0.0284 -0.0232 0.0898 227 THR A CG2 ? ? 1 +2651 C CG2 B THR A 217 0.5192 0.9469 1.0109 0.0282 -0.0232 0.0897 227 THR A CG2 ? ? 1 +2652 N N . THR A 218 0.5546 0.9573 1.0230 0.0146 -0.0045 0.0969 228 THR A N ? ? 1 +2653 C CA . THR A 218 0.5789 0.9804 1.0473 0.0078 0.0024 0.0980 228 THR A CA ? ? 1 +2654 C CB . THR A 218 0.5976 0.9970 1.0576 0.0097 0.0027 0.0992 228 THR A CB ? ? 1 +2655 O OG1 . THR A 218 0.5948 1.0099 1.0654 0.0112 -0.0021 0.0966 228 THR A OG1 ? ? 1 +2656 C CG2 . THR A 218 0.6197 1.0040 1.0616 0.0166 0.0005 0.1018 228 THR A CG2 ? ? 1 +2657 C C . THR A 218 0.5747 0.9924 1.0612 0.0020 0.0034 0.0951 228 THR A C ? ? 1 +2658 O O . THR A 218 0.5462 0.9752 1.0434 0.0037 -0.0014 0.0926 228 THR A O ? ? 1 +2659 N N . GLU A 219 0.6057 1.0246 1.0954 -0.0048 0.0096 0.0955 229 GLU A N ? ? 1 +2660 C CA . GLU A 219 0.6099 1.0431 1.1160 -0.0105 0.0110 0.0929 229 GLU A CA ? ? 1 +2661 C CB . GLU A 219 0.6441 1.0738 1.1513 -0.0181 0.0188 0.0938 229 GLU A CB ? ? 1 +2662 C CG . GLU A 219 0.6815 1.1097 1.1839 -0.0201 0.0232 0.0951 229 GLU A CG ? ? 1 +2663 C CD . GLU A 219 0.7345 1.1623 1.2411 -0.0280 0.0308 0.0954 229 GLU A CD ? ? 1 +2664 O OE1 . GLU A 219 0.7519 1.1853 1.2692 -0.0324 0.0318 0.0936 229 GLU A OE1 ? ? 1 +2665 O OE2 . GLU A 219 0.7547 1.1764 1.2537 -0.0296 0.0357 0.0972 229 GLU A OE2 ? ? 1 +2666 C C . GLU A 219 0.5785 1.0267 1.0941 -0.0097 0.0077 0.0907 229 GLU A C ? ? 1 +2667 O O . GLU A 219 0.5604 1.0213 1.0898 -0.0129 0.0070 0.0883 229 GLU A O ? ? 1 +2668 N N . THR A 220 0.5831 1.0293 1.0906 -0.0054 0.0054 0.0916 230 THR A N ? ? 1 +2669 C CA . THR A 220 0.5669 1.0261 1.0820 -0.0042 0.0019 0.0896 230 THR A CA ? ? 1 +2670 C CB . THR A 220 0.5797 1.0330 1.0835 -0.0021 0.0031 0.0913 230 THR A CB ? ? 1 +2671 O OG1 . THR A 220 0.5786 1.0206 1.0690 0.0042 -0.0003 0.0930 230 THR A OG1 ? ? 1 +2672 C CG2 . THR A 220 0.5913 1.0379 1.0905 -0.0075 0.0110 0.0932 230 THR A CG2 ? ? 1 +2673 C C . THR A 220 0.5429 1.0100 1.0632 0.0010 -0.0055 0.0875 230 THR A C ? ? 1 +2674 O O . THR A 220 0.5273 1.0050 1.0540 0.0021 -0.0088 0.0856 230 THR A O ? ? 1 +2675 N N . GLU A 221 0.5342 0.9960 1.0519 0.0043 -0.0082 0.0877 231 GLU A N ? ? 1 +2676 C CA . GLU A 221 0.5261 0.9955 1.0491 0.0092 -0.0150 0.0856 231 GLU A CA ? ? 1 +2677 C CB . GLU A 221 0.5630 1.0234 1.0733 0.0166 -0.0193 0.0869 231 GLU A CB ? ? 1 +2678 C CG . GLU A 221 0.6117 1.0556 1.1090 0.0183 -0.0170 0.0897 231 GLU A CG ? ? 1 +2679 C CD . GLU A 221 0.6627 1.0963 1.1456 0.0257 -0.0209 0.0913 231 GLU A CD ? ? 1 +2680 O OE1 . GLU A 221 0.7234 1.1644 1.2087 0.0305 -0.0269 0.0896 231 GLU A OE1 ? ? 1 +2681 O OE2 . GLU A 221 0.6802 1.0980 1.1492 0.0268 -0.0180 0.0942 231 GLU A OE2 ? ? 1 +2682 C C . GLU A 221 0.4809 0.9539 1.0127 0.0078 -0.0155 0.0842 231 GLU A C ? ? 1 +2683 O O . GLU A 221 0.4868 0.9517 1.0158 0.0050 -0.0116 0.0854 231 GLU A O ? ? 1 +2684 N N A SER A 222 0.4523 0.9375 0.9948 0.0095 -0.0202 0.0815 232 SER A N ? ? 1 +2685 N N B SER A 222 0.4475 0.9327 0.9900 0.0095 -0.0202 0.0815 232 SER A N ? ? 1 +2686 C CA A SER A 222 0.4319 0.9212 0.9827 0.0089 -0.0212 0.0799 232 SER A CA ? ? 1 +2687 C CA B SER A 222 0.4250 0.9141 0.9757 0.0089 -0.0212 0.0799 232 SER A CA ? ? 1 +2688 C C A SER A 222 0.4352 0.9122 0.9766 0.0129 -0.0221 0.0813 232 SER A C ? ? 1 +2689 C C B SER A 222 0.4282 0.9050 0.9694 0.0129 -0.0220 0.0814 232 SER A C ? ? 1 +2690 O O A SER A 222 0.4495 0.9202 0.9816 0.0188 -0.0252 0.0824 232 SER A O ? ? 1 +2691 O O B SER A 222 0.4442 0.9147 0.9761 0.0188 -0.0252 0.0824 232 SER A O ? ? 1 +2692 C CB A SER A 222 0.4153 0.9184 0.9769 0.0112 -0.0264 0.0769 232 SER A CB ? ? 1 +2693 C CB B SER A 222 0.4066 0.9095 0.9681 0.0112 -0.0264 0.0769 232 SER A CB ? ? 1 +2694 O OG A SER A 222 0.4074 0.9140 0.9763 0.0111 -0.0274 0.0754 232 SER A OG ? ? 1 +2695 O OG B SER A 222 0.3975 0.9034 0.9657 0.0115 -0.0276 0.0755 232 SER A OG ? ? 1 +2696 N N A ALA A 223 0.4225 0.8958 0.9662 0.0099 -0.0193 0.0813 233 ALA A N ? ? 1 +2697 N N B ALA A 223 0.4153 0.8883 0.9587 0.0099 -0.0193 0.0814 233 ALA A N ? ? 1 +2698 C CA A ALA A 223 0.4263 0.8875 0.9614 0.0133 -0.0197 0.0826 233 ALA A CA ? ? 1 +2699 C CA B ALA A 223 0.4193 0.8803 0.9543 0.0134 -0.0197 0.0826 233 ALA A CA ? ? 1 +2700 C C A ALA A 223 0.4184 0.8841 0.9557 0.0201 -0.0259 0.0810 233 ALA A C ? ? 1 +2701 C C B ALA A 223 0.4121 0.8778 0.9496 0.0201 -0.0259 0.0809 233 ALA A C ? ? 1 +2702 O O A ALA A 223 0.4279 0.8836 0.9564 0.0251 -0.0276 0.0821 233 ALA A O ? ? 1 +2703 O O B ALA A 223 0.4194 0.8750 0.9480 0.0251 -0.0276 0.0821 233 ALA A O ? ? 1 +2704 C CB A ALA A 223 0.4244 0.8824 0.9631 0.0082 -0.0158 0.0824 233 ALA A CB ? ? 1 +2705 C CB B ALA A 223 0.4174 0.8750 0.9557 0.0082 -0.0156 0.0825 233 ALA A CB ? ? 1 +2706 N N A ASN A 224 0.3970 0.8777 0.9462 0.0202 -0.0291 0.0783 234 ASN A N ? ? 1 +2707 N N B ASN A 224 0.3921 0.8728 0.9416 0.0202 -0.0291 0.0783 234 ASN A N ? ? 1 +2708 C CA A ASN A 224 0.3897 0.8770 0.9436 0.0258 -0.0346 0.0762 234 ASN A CA ? ? 1 +2709 C CA B ASN A 224 0.3869 0.8742 0.9409 0.0259 -0.0346 0.0762 234 ASN A CA ? ? 1 +2710 C C A ASN A 224 0.3980 0.8802 0.9423 0.0329 -0.0389 0.0772 234 ASN A C ? ? 1 +2711 C C B ASN A 224 0.3976 0.8798 0.9419 0.0330 -0.0389 0.0772 234 ASN A C ? ? 1 +2712 O O A ASN A 224 0.4020 0.8838 0.9454 0.0387 -0.0429 0.0764 234 ASN A O ? ? 1 +2713 O O B ASN A 224 0.4019 0.8831 0.9450 0.0387 -0.0428 0.0764 234 ASN A O ? ? 1 +2714 C CB A ASN A 224 0.3710 0.8751 0.9392 0.0237 -0.0365 0.0733 234 ASN A CB ? ? 1 +2715 C CB B ASN A 224 0.3679 0.8719 0.9361 0.0238 -0.0366 0.0733 234 ASN A CB ? ? 1 +2716 C CG A ASN A 224 0.3612 0.8706 0.9391 0.0181 -0.0335 0.0720 234 ASN A CG ? ? 1 +2717 C CG B ASN A 224 0.3577 0.8673 0.9358 0.0180 -0.0335 0.0720 234 ASN A CG ? ? 1 +2718 O OD1 A ASN A 224 0.3678 0.8696 0.9431 0.0169 -0.0312 0.0726 234 ASN A OD1 ? ? 1 +2719 O OD1 B ASN A 224 0.3644 0.8667 0.9402 0.0163 -0.0309 0.0726 234 ASN A OD1 ? ? 1 +2720 N ND2 A ASN A 224 0.3472 0.8690 0.9358 0.0148 -0.0337 0.0700 234 ASN A ND2 ? ? 1 +2721 N ND2 B ASN A 224 0.3438 0.8661 0.9327 0.0149 -0.0338 0.0700 234 ASN A ND2 ? ? 1 +2722 N N A TYR A 225 0.4014 0.8795 0.9381 0.0326 -0.0379 0.0789 235 TYR A N ? ? 1 +2723 N N B TYR A 225 0.4045 0.8829 0.9415 0.0327 -0.0381 0.0788 235 TYR A N ? ? 1 +2724 C CA A TYR A 225 0.4104 0.8828 0.9367 0.0392 -0.0419 0.0799 235 TYR A CA ? ? 1 +2725 C CA B TYR A 225 0.4170 0.8894 0.9434 0.0393 -0.0420 0.0798 235 TYR A CA ? ? 1 +2726 C C A TYR A 225 0.4253 0.8809 0.9373 0.0433 -0.0413 0.0825 235 TYR A C ? ? 1 +2727 C C B TYR A 225 0.4334 0.8890 0.9455 0.0435 -0.0415 0.0824 235 TYR A C ? ? 1 +2728 O O A TYR A 225 0.4359 0.8847 0.9376 0.0494 -0.0447 0.0835 235 TYR A O ? ? 1 +2729 O O B TYR A 225 0.4428 0.8924 0.9453 0.0499 -0.0453 0.0833 235 TYR A O ? ? 1 +2730 C CB A TYR A 225 0.4133 0.8857 0.9351 0.0374 -0.0407 0.0809 235 TYR A CB ? ? 1 +2731 C CB B TYR A 225 0.4214 0.8937 0.9432 0.0375 -0.0407 0.0809 235 TYR A CB ? ? 1 +2732 C CG A TYR A 225 0.4003 0.8887 0.9343 0.0356 -0.0431 0.0781 235 TYR A CG ? ? 1 +2733 C CG B TYR A 225 0.4104 0.8988 0.9445 0.0356 -0.0430 0.0781 235 TYR A CG ? ? 1 +2734 C CD1 A TYR A 225 0.3944 0.8925 0.9346 0.0403 -0.0492 0.0756 235 TYR A CD1 ? ? 1 +2735 C CD1 B TYR A 225 0.4043 0.9026 0.9450 0.0401 -0.0491 0.0755 235 TYR A CD1 ? ? 1 +2736 C CD2 A TYR A 225 0.3911 0.8850 0.9306 0.0294 -0.0393 0.0779 235 TYR A CD2 ? ? 1 +2737 C CD2 B TYR A 225 0.4015 0.8951 0.9408 0.0293 -0.0391 0.0780 235 TYR A CD2 ? ? 1 +2738 C CE1 A TYR A 225 0.3811 0.8933 0.9323 0.0384 -0.0512 0.0730 235 TYR A CE1 ? ? 1 +2739 C CE1 B TYR A 225 0.3916 0.9040 0.9432 0.0381 -0.0510 0.0730 235 TYR A CE1 ? ? 1 +2740 C CE2 A TYR A 225 0.3780 0.8858 0.9281 0.0279 -0.0414 0.0754 235 TYR A CE2 ? ? 1 +2741 C CE2 B TYR A 225 0.3889 0.8964 0.9389 0.0277 -0.0411 0.0755 235 TYR A CE2 ? ? 1 +2742 C CZ A TYR A 225 0.3754 0.8920 0.9311 0.0322 -0.0473 0.0730 235 TYR A CZ ? ? 1 +2743 C CZ B TYR A 225 0.3878 0.9043 0.9437 0.0319 -0.0470 0.0731 235 TYR A CZ ? ? 1 +2744 O OH A TYR A 225 0.3655 0.8950 0.9312 0.0305 -0.0492 0.0705 235 TYR A OH ? ? 1 +2745 O OH B TYR A 225 0.3797 0.9093 0.9458 0.0300 -0.0488 0.0706 235 TYR A OH ? ? 1 +2746 N N A GLY A 226 0.4250 0.8735 0.9362 0.0400 -0.0371 0.0834 236 GLY A N ? ? 1 +2747 N N B GLY A 226 0.4358 0.8836 0.9464 0.0399 -0.0369 0.0836 236 GLY A N ? ? 1 +2748 C CA A GLY A 226 0.4388 0.8706 0.9368 0.0433 -0.0361 0.0858 236 GLY A CA ? ? 1 +2749 C CA B GLY A 226 0.4497 0.8812 0.9474 0.0434 -0.0361 0.0859 236 GLY A CA ? ? 1 +2750 C C A GLY A 226 0.4359 0.8684 0.9354 0.0498 -0.0408 0.0844 236 GLY A C ? ? 1 +2751 C C B GLY A 226 0.4465 0.8790 0.9460 0.0498 -0.0409 0.0844 236 GLY A C ? ? 1 +2752 O O A GLY A 226 0.4482 0.8673 0.9360 0.0546 -0.0415 0.0862 236 GLY A O ? ? 1 +2753 O O B GLY A 226 0.4568 0.8759 0.9446 0.0546 -0.0416 0.0861 236 GLY A O ? ? 1 +2754 N N A TYR A 227 0.4183 0.8662 0.9322 0.0498 -0.0438 0.0812 237 TYR A N ? ? 1 +2755 N N B TYR A 227 0.4312 0.8793 0.9452 0.0498 -0.0438 0.0811 237 TYR A N ? ? 1 +2756 C CA A TYR A 227 0.4178 0.8693 0.9352 0.0561 -0.0486 0.0793 237 TYR A CA ? ? 1 +2757 C CA B TYR A 227 0.4332 0.8851 0.9509 0.0561 -0.0487 0.0792 237 TYR A CA ? ? 1 +2758 C C A TYR A 227 0.4123 0.8744 0.9337 0.0614 -0.0547 0.0774 237 TYR A C ? ? 1 +2759 C C B TYR A 227 0.4319 0.8941 0.9531 0.0615 -0.0548 0.0774 237 TYR A C ? ? 1 +2760 O O A TYR A 227 0.4006 0.8739 0.9296 0.0582 -0.0552 0.0761 237 TYR A O ? ? 1 +2761 O O B TYR A 227 0.4203 0.8937 0.9492 0.0583 -0.0553 0.0761 237 TYR A O ? ? 1 +2762 C CB A TYR A 227 0.4041 0.8649 0.9348 0.0525 -0.0473 0.0768 237 TYR A CB ? ? 1 +2763 C CB B TYR A 227 0.4180 0.8796 0.9492 0.0526 -0.0476 0.0767 237 TYR A CB ? ? 1 +2764 C CG A TYR A 227 0.4031 0.8706 0.9397 0.0588 -0.0523 0.0744 237 TYR A CG ? ? 1 +2765 C CG B TYR A 227 0.4176 0.8853 0.9541 0.0590 -0.0525 0.0743 237 TYR A CG ? ? 1 +2766 C CD1 A TYR A 227 0.4153 0.8725 0.9448 0.0639 -0.0531 0.0750 237 TYR A CD1 ? ? 1 +2767 C CD1 B TYR A 227 0.4300 0.8868 0.9590 0.0640 -0.0532 0.0751 237 TYR A CD1 ? ? 1 +2768 C CD2 A TYR A 227 0.3889 0.8728 0.9376 0.0599 -0.0560 0.0714 237 TYR A CD2 ? ? 1 +2769 C CD2 B TYR A 227 0.4021 0.8860 0.9507 0.0605 -0.0564 0.0713 237 TYR A CD2 ? ? 1 +2770 C CE1 A TYR A 227 0.4124 0.8761 0.9475 0.0700 -0.0575 0.0726 237 TYR A CE1 ? ? 1 +2771 C CE1 B TYR A 227 0.4270 0.8896 0.9610 0.0703 -0.0576 0.0728 237 TYR A CE1 ? ? 1 +2772 C CE2 A TYR A 227 0.3868 0.8774 0.9414 0.0656 -0.0603 0.0690 237 TYR A CE2 ? ? 1 +2773 C CE2 B TYR A 227 0.4006 0.8906 0.9545 0.0664 -0.0607 0.0690 237 TYR A CE2 ? ? 1 +2774 C CZ A TYR A 227 0.3991 0.8799 0.9471 0.0708 -0.0611 0.0696 237 TYR A CZ ? ? 1 +2775 C CZ B TYR A 227 0.4138 0.8935 0.9606 0.0714 -0.0613 0.0698 237 TYR A CZ ? ? 1 +2776 O OH A TYR A 227 0.3971 0.8852 0.9514 0.0767 -0.0652 0.0671 237 TYR A OH ? ? 1 +2777 O OH B TYR A 227 0.4119 0.8981 0.9643 0.0776 -0.0654 0.0674 237 TYR A OH ? ? 1 +2778 N N A LYS A 228 0.4223 0.8806 0.9381 0.0695 -0.0596 0.0772 238 LYS A N ? ? 1 +2779 N N B LYS A 228 0.4472 0.9052 0.9625 0.0696 -0.0596 0.0773 238 LYS A N ? ? 1 +2780 C CA A LYS A 228 0.4199 0.8885 0.9398 0.0750 -0.0660 0.0750 238 LYS A CA ? ? 1 +2781 C CA B LYS A 228 0.4500 0.9182 0.9693 0.0753 -0.0661 0.0751 238 LYS A CA ? ? 1 +2782 C C A LYS A 228 0.4106 0.8881 0.9400 0.0798 -0.0699 0.0721 238 LYS A C ? ? 1 +2783 C C B LYS A 228 0.4402 0.9175 0.9694 0.0797 -0.0699 0.0721 238 LYS A C ? ? 1 +2784 O O A LYS A 228 0.4188 0.8876 0.9426 0.0842 -0.0704 0.0727 238 LYS A O ? ? 1 +2785 O O B LYS A 228 0.4466 0.9153 0.9704 0.0839 -0.0702 0.0728 238 LYS A O ? ? 1 +2786 C CB A LYS A 228 0.4413 0.8987 0.9460 0.0814 -0.0691 0.0771 238 LYS A CB ? ? 1 +2787 C CB B LYS A 228 0.4765 0.9335 0.9806 0.0819 -0.0694 0.0771 238 LYS A CB ? ? 1 +2788 C CG A LYS A 228 0.4471 0.9032 0.9464 0.0783 -0.0679 0.0785 238 LYS A CG ? ? 1 +2789 C CG B LYS A 228 0.4885 0.9443 0.9870 0.0793 -0.0686 0.0785 238 LYS A CG ? ? 1 +2790 C CD A LYS A 228 0.4559 0.9015 0.9487 0.0713 -0.0605 0.0814 238 LYS A CD ? ? 1 +2791 C CD B LYS A 228 0.5059 0.9496 0.9959 0.0730 -0.0615 0.0817 238 LYS A CD ? ? 1 +2792 C CE A LYS A 228 0.4597 0.9051 0.9483 0.0680 -0.0588 0.0826 238 LYS A CE ? ? 1 +2793 C CE B LYS A 228 0.5129 0.9576 0.9998 0.0695 -0.0598 0.0826 238 LYS A CE ? ? 1 +2794 N NZ A LYS A 228 0.4423 0.9048 0.9460 0.0629 -0.0588 0.0799 238 LYS A NZ ? ? 1 +2795 N NZ B LYS A 228 0.4984 0.9598 1.0010 0.0636 -0.0590 0.0800 238 LYS A NZ ? ? 1 +2796 N N A PHE A 229 0.3927 0.8872 0.9361 0.0788 -0.0726 0.0688 239 PHE A N ? ? 1 +2797 N N B PHE A 229 0.4235 0.9179 0.9667 0.0788 -0.0726 0.0689 239 PHE A N ? ? 1 +2798 C CA A PHE A 229 0.3831 0.8882 0.9373 0.0826 -0.0760 0.0657 239 PHE A CA ? ? 1 +2799 C CA B PHE A 229 0.4143 0.9192 0.9684 0.0825 -0.0759 0.0657 239 PHE A CA ? ? 1 +2800 C C A PHE A 229 0.3950 0.8939 0.9416 0.0921 -0.0809 0.0657 239 PHE A C ? ? 1 +2801 C C B PHE A 229 0.4266 0.9251 0.9731 0.0919 -0.0806 0.0658 239 PHE A C ? ? 1 +2802 O O A PHE A 229 0.4026 0.9000 0.9429 0.0969 -0.0852 0.0660 239 PHE A O ? ? 1 +2803 O O B PHE A 229 0.4356 0.9321 0.9754 0.0969 -0.0849 0.0661 239 PHE A O ? ? 1 +2804 C CB A PHE A 229 0.3667 0.8900 0.9349 0.0810 -0.0788 0.0624 239 PHE A CB ? ? 1 +2805 C CB B PHE A 229 0.3979 0.9211 0.9659 0.0810 -0.0788 0.0624 239 PHE A CB ? ? 1 +2806 C CG A PHE A 229 0.3579 0.8933 0.9384 0.0841 -0.0817 0.0590 239 PHE A CG ? ? 1 +2807 C CG B PHE A 229 0.3891 0.9243 0.9693 0.0843 -0.0817 0.0590 239 PHE A CG ? ? 1 +2808 C CD1 A PHE A 229 0.3511 0.8880 0.9380 0.0816 -0.0783 0.0582 239 PHE A CD1 ? ? 1 +2809 C CD1 B PHE A 229 0.3812 0.9180 0.9679 0.0817 -0.0784 0.0582 239 PHE A CD1 ? ? 1 +2810 C CD2 A PHE A 229 0.3577 0.9029 0.9432 0.0897 -0.0876 0.0564 239 PHE A CD2 ? ? 1 +2811 C CD2 B PHE A 229 0.3909 0.9357 0.9760 0.0899 -0.0877 0.0564 239 PHE A CD2 ? ? 1 +2812 C CE1 A PHE A 229 0.3448 0.8926 0.9427 0.0845 -0.0806 0.0550 239 PHE A CE1 ? ? 1 +2813 C CE1 B PHE A 229 0.3758 0.9235 0.9735 0.0847 -0.0807 0.0551 239 PHE A CE1 ? ? 1 +2814 C CE2 A PHE A 229 0.3492 0.9059 0.9465 0.0924 -0.0899 0.0531 239 PHE A CE2 ? ? 1 +2815 C CE2 B PHE A 229 0.3811 0.9374 0.9780 0.0928 -0.0900 0.0531 239 PHE A CE2 ? ? 1 +2816 C CZ A PHE A 229 0.3437 0.9015 0.9470 0.0899 -0.0862 0.0525 239 PHE A CZ ? ? 1 +2817 C CZ B PHE A 229 0.3753 0.9328 0.9782 0.0902 -0.0863 0.0525 239 PHE A CZ ? ? 1 +2818 N N A GLY A 230 0.3982 0.8930 0.9450 0.0949 -0.0803 0.0654 240 GLY A N ? ? 1 +2819 N N B GLY A 230 0.4310 0.9258 0.9781 0.0944 -0.0799 0.0654 240 GLY A N ? ? 1 +2820 C CA A GLY A 230 0.4102 0.8994 0.9506 0.1043 -0.0849 0.0652 240 GLY A CA ? ? 1 +2821 C CA B GLY A 230 0.4433 0.9324 0.9842 0.1037 -0.0843 0.0652 240 GLY A CA ? ? 1 +2822 C C A GLY A 230 0.4309 0.8991 0.9530 0.1075 -0.0834 0.0690 240 GLY A C ? ? 1 +2823 C C B GLY A 230 0.4665 0.9348 0.9890 0.1071 -0.0830 0.0690 240 GLY A C ? ? 1 +2824 O O A GLY A 230 0.4422 0.9039 0.9577 0.1155 -0.0869 0.0691 240 GLY A O ? ? 1 +2825 O O B GLY A 230 0.4766 0.9387 0.9924 0.1153 -0.0868 0.0691 240 GLY A O ? ? 1 +2826 N N A GLN A 231 0.4364 0.8941 0.9504 0.1012 -0.0780 0.0720 241 GLN A N ? ? 1 +2827 N N B GLN A 231 0.4759 0.9333 0.9902 0.1009 -0.0776 0.0720 241 GLN A N ? ? 1 +2828 C CA A GLN A 231 0.4562 0.8933 0.9523 0.1032 -0.0759 0.0758 241 GLN A CA ? ? 1 +2829 C CA B GLN A 231 0.4980 0.9349 0.9943 0.1032 -0.0757 0.0757 241 GLN A CA ? ? 1 +2830 C C A GLN A 231 0.4676 0.8957 0.9608 0.1056 -0.0742 0.0761 241 GLN A C ? ? 1 +2831 C C B GLN A 231 0.5164 0.9442 1.0096 0.1058 -0.0742 0.0760 241 GLN A C ? ? 1 +2832 O O A GLN A 231 0.4566 0.8916 0.9604 0.1016 -0.0717 0.0743 241 GLN A O ? ? 1 +2833 O O B GLN A 231 0.5058 0.9408 1.0098 0.1021 -0.0719 0.0742 241 GLN A O ? ? 1 +2834 C CB A GLN A 231 0.4555 0.8849 0.9457 0.0950 -0.0697 0.0786 241 GLN A CB ? ? 1 +2835 C CB B GLN A 231 0.4960 0.9245 0.9858 0.0951 -0.0696 0.0786 241 GLN A CB ? ? 1 +2836 C CG A GLN A 231 0.4440 0.8750 0.9419 0.0868 -0.0638 0.0783 241 GLN A CG ? ? 1 +2837 C CG B GLN A 231 0.4822 0.9124 0.9798 0.0867 -0.0635 0.0784 241 GLN A CG ? ? 1 +2838 C CD A GLN A 231 0.4447 0.8665 0.9358 0.0794 -0.0577 0.0811 241 GLN A CD ? ? 1 +2839 C CD B GLN A 231 0.4798 0.9009 0.9704 0.0794 -0.0576 0.0812 241 GLN A CD ? ? 1 +2840 O OE1 A GLN A 231 0.4368 0.8629 0.9285 0.0761 -0.0571 0.0816 241 GLN A OE1 ? ? 1 +2841 O OE1 B GLN A 231 0.4686 0.8938 0.9594 0.0764 -0.0571 0.0817 241 GLN A OE1 ? ? 1 +2842 N NE2 A GLN A 231 0.4531 0.8622 0.9378 0.0765 -0.0530 0.0829 241 GLN A NE2 ? ? 1 +2843 N NE2 B GLN A 231 0.4885 0.8970 0.9728 0.0763 -0.0528 0.0830 241 GLN A NE2 ? ? 1 +2844 N N A GLU A 232 0.4940 0.9060 0.9719 0.1123 -0.0757 0.0783 242 GLU A N ? ? 1 +2845 N N B GLU A 232 0.5547 0.9661 1.0324 0.1124 -0.0755 0.0784 242 GLU A N ? ? 1 +2846 C CA A GLU A 232 0.5095 0.9120 0.9832 0.1162 -0.0751 0.0785 242 GLU A CA ? ? 1 +2847 C CA B GLU A 232 0.5824 0.9836 1.0551 0.1165 -0.0750 0.0787 242 GLU A CA ? ? 1 +2848 C C A GLU A 232 0.5119 0.9045 0.9830 0.1085 -0.0679 0.0802 242 GLU A C ? ? 1 +2849 C C B GLU A 232 0.5844 0.9744 1.0534 0.1091 -0.0678 0.0805 242 GLU A C ? ? 1 +2850 O O A GLU A 232 0.5060 0.9014 0.9843 0.1072 -0.0663 0.0785 242 GLU A O ? ? 1 +2851 O O B GLU A 232 0.5823 0.9714 1.0552 0.1091 -0.0664 0.0794 242 GLU A O ? ? 1 +2852 C CB A GLU A 232 0.5360 0.9225 0.9925 0.1255 -0.0786 0.0807 242 GLU A CB ? ? 1 +2853 C CB B GLU A 232 0.6221 1.0073 1.0774 0.1257 -0.0785 0.0810 242 GLU A CB ? ? 1 +2854 C CG A GLU A 232 0.5407 0.9364 0.9992 0.1340 -0.0863 0.0789 242 GLU A CG ? ? 1 +2855 C CG B GLU A 232 0.6402 1.0344 1.0980 0.1351 -0.0864 0.0788 242 GLU A CG ? ? 1 +2856 C CD A GLU A 232 0.5314 0.9457 1.0069 0.1374 -0.0905 0.0744 242 GLU A CD ? ? 1 +2857 C CD B GLU A 232 0.6646 1.0611 1.1263 0.1430 -0.0900 0.0766 242 GLU A CD ? ? 1 +2858 O OE1 A GLU A 232 0.5184 0.9416 1.0063 0.1316 -0.0870 0.0726 242 GLU A OE1 ? ? 1 +2859 O OE1 B GLU A 232 0.6791 1.0743 1.1454 0.1401 -0.0863 0.0759 242 GLU A OE1 ? ? 1 +2860 O OE2 A GLU A 232 0.5374 0.9573 1.0137 0.1459 -0.0971 0.0727 242 GLU A OE2 ? ? 1 +2861 O OE2 B GLU A 232 0.6767 1.0757 1.1364 0.1521 -0.0966 0.0754 242 GLU A OE2 ? ? 1 +2862 N N A GLU A 233 0.5220 0.9033 0.9831 0.1032 -0.0635 0.0833 243 GLU A N ? ? 1 +2863 N N B GLU A 233 0.5914 0.9727 1.0526 0.1029 -0.0633 0.0834 243 GLU A N ? ? 1 +2864 C CA A GLU A 233 0.5282 0.8976 0.9844 0.0963 -0.0567 0.0853 243 GLU A CA ? ? 1 +2865 C CA B GLU A 233 0.5975 0.9660 1.0529 0.0963 -0.0566 0.0854 243 GLU A CA ? ? 1 +2866 C C A GLU A 233 0.5028 0.8849 0.9738 0.0867 -0.0528 0.0834 243 GLU A C ? ? 1 +2867 C C B GLU A 233 0.5592 0.9403 1.0294 0.0867 -0.0526 0.0836 243 GLU A C ? ? 1 +2868 O O A GLU A 233 0.4864 0.8831 0.9677 0.0835 -0.0537 0.0820 243 GLU A O ? ? 1 +2869 O O B GLU A 233 0.5394 0.9353 1.0200 0.0836 -0.0536 0.0821 243 GLU A O ? ? 1 +2870 C CB A GLU A 233 0.5489 0.9014 0.9887 0.0943 -0.0533 0.0893 243 GLU A CB ? ? 1 +2871 C CB B GLU A 233 0.6274 0.9785 1.0660 0.0943 -0.0531 0.0895 243 GLU A CB ? ? 1 +2872 C CG A GLU A 233 0.5535 0.9111 0.9911 0.0957 -0.0561 0.0899 243 GLU A CG ? ? 1 +2873 C CG B GLU A 233 0.6409 0.9971 1.0783 0.0930 -0.0541 0.0904 243 GLU A CG ? ? 1 +2874 C CD A GLU A 233 0.5675 0.9268 1.0010 0.1063 -0.0635 0.0891 243 GLU A CD ? ? 1 +2875 C CD B GLU A 233 0.6697 1.0256 1.1002 0.1025 -0.0607 0.0905 243 GLU A CD ? ? 1 +2876 O OE1 A GLU A 233 0.5916 0.9358 1.0114 0.1132 -0.0651 0.0909 243 GLU A OE1 ? ? 1 +2877 O OE1 B GLU A 233 0.7099 1.0510 1.1265 0.1096 -0.0626 0.0922 243 GLU A OE1 ? ? 1 +2878 O OE2 A GLU A 233 0.5590 0.9345 1.0028 0.1078 -0.0680 0.0867 243 GLU A OE2 ? ? 1 +2879 O OE2 B GLU A 233 0.6713 1.0415 1.1099 0.1028 -0.0642 0.0887 243 GLU A OE2 ? ? 1 +2880 N N A GLU A 234 0.5014 0.8772 0.9729 0.0824 -0.0485 0.0834 244 GLU A N ? ? 1 +2881 N N B GLU A 234 0.5514 0.9259 1.0218 0.0824 -0.0483 0.0837 244 GLU A N ? ? 1 +2882 C CA A GLU A 234 0.4859 0.8713 0.9697 0.0734 -0.0445 0.0819 244 GLU A CA ? ? 1 +2883 C CA B GLU A 234 0.5330 0.9173 1.0159 0.0734 -0.0443 0.0821 244 GLU A CA ? ? 1 +2884 C C A GLU A 234 0.4799 0.8643 0.9619 0.0659 -0.0404 0.0838 244 GLU A C ? ? 1 +2885 C C B GLU A 234 0.5205 0.9036 1.0014 0.0659 -0.0401 0.0840 244 GLU A C ? ? 1 +2886 O O A GLU A 234 0.4905 0.8612 0.9590 0.0664 -0.0386 0.0869 244 GLU A O ? ? 1 +2887 O O B GLU A 234 0.5269 0.8961 0.9943 0.0662 -0.0382 0.0871 244 GLU A O ? ? 1 +2888 C CB A GLU A 234 0.4924 0.8686 0.9746 0.0710 -0.0410 0.0817 244 GLU A CB ? ? 1 +2889 C CB B GLU A 234 0.5397 0.9151 1.0213 0.0710 -0.0409 0.0818 244 GLU A CB ? ? 1 +2890 C CG A GLU A 234 0.4759 0.8645 0.9728 0.0641 -0.0387 0.0790 244 GLU A CG ? ? 1 +2891 C CG B GLU A 234 0.5235 0.9114 1.0198 0.0638 -0.0385 0.0792 244 GLU A CG ? ? 1 +2892 C CD A GLU A 234 0.4586 0.8679 0.9707 0.0652 -0.0425 0.0760 244 GLU A CD ? ? 1 +2893 C CD B GLU A 234 0.5070 0.9155 1.0186 0.0648 -0.0422 0.0761 244 GLU A CD ? ? 1 +2894 O OE1 A GLU A 234 0.4504 0.8692 0.9681 0.0609 -0.0421 0.0759 244 GLU A OE1 ? ? 1 +2895 O OE1 B GLU A 234 0.5009 0.9191 1.0183 0.0607 -0.0418 0.0760 244 GLU A OE1 ? ? 1 +2896 O OE2 A GLU A 234 0.4570 0.8727 0.9749 0.0703 -0.0457 0.0736 244 GLU A OE2 ? ? 1 +2897 O OE2 B GLU A 234 0.5079 0.9227 1.0253 0.0699 -0.0453 0.0738 244 GLU A OE2 ? ? 1 +2898 N N A THR A 235 0.4607 0.8595 0.9562 0.0593 -0.0388 0.0819 245 THR A N ? ? 1 +2899 N N B THR A 235 0.4975 0.8955 0.9921 0.0594 -0.0388 0.0821 245 THR A N ? ? 1 +2900 C CA A THR A 235 0.4575 0.8591 0.9536 0.0531 -0.0359 0.0831 245 THR A CA ? ? 1 +2901 C CA B THR A 235 0.4940 0.8948 0.9894 0.0531 -0.0357 0.0833 245 THR A CA ? ? 1 +2902 C C A THR A 235 0.4629 0.8584 0.9588 0.0443 -0.0294 0.0841 245 THR A C ? ? 1 +2903 C C B THR A 235 0.5020 0.8976 0.9980 0.0441 -0.0293 0.0841 245 THR A C ? ? 1 +2904 O O A THR A 235 0.4617 0.8565 0.9564 0.0389 -0.0259 0.0855 245 THR A O ? ? 1 +2905 O O B THR A 235 0.4983 0.8949 0.9946 0.0384 -0.0259 0.0852 245 THR A O ? ? 1 +2906 C CB A THR A 235 0.4352 0.8566 0.9458 0.0518 -0.0386 0.0805 245 THR A CB ? ? 1 +2907 C CB B THR A 235 0.4687 0.8892 0.9782 0.0522 -0.0387 0.0807 245 THR A CB ? ? 1 +2908 O OG1 A THR A 235 0.4315 0.8539 0.9391 0.0492 -0.0375 0.0820 245 THR A OG1 ? ? 1 +2909 O OG1 B THR A 235 0.4613 0.8829 0.9683 0.0489 -0.0372 0.0822 245 THR A OG1 ? ? 1 +2910 C CG2 A THR A 235 0.4193 0.8519 0.9438 0.0456 -0.0365 0.0780 245 THR A CG2 ? ? 1 +2911 C CG2 B THR A 235 0.4519 0.8847 0.9761 0.0468 -0.0372 0.0780 245 THR A CG2 ? ? 1 +2912 N N A TYR A 236 0.4679 0.8591 0.9653 0.0430 -0.0278 0.0831 246 TYR A N ? ? 1 +2913 N N B TYR A 236 0.5103 0.9006 1.0070 0.0430 -0.0277 0.0833 246 TYR A N ? ? 1 +2914 C CA A TYR A 236 0.4725 0.8564 0.9689 0.0351 -0.0220 0.0839 246 TYR A CA ? ? 1 +2915 C CA B TYR A 236 0.5150 0.8986 1.0112 0.0350 -0.0219 0.0839 246 TYR A CA ? ? 1 +2916 C C A TYR A 236 0.4866 0.8530 0.9717 0.0374 -0.0205 0.0851 246 TYR A C ? ? 1 +2917 C C B TYR A 236 0.5284 0.8944 1.0133 0.0371 -0.0203 0.0852 246 TYR A C ? ? 1 +2918 O O A TYR A 236 0.4945 0.8560 0.9741 0.0452 -0.0242 0.0851 246 TYR A O ? ? 1 +2919 O O B TYR A 236 0.5357 0.8970 1.0155 0.0448 -0.0239 0.0851 246 TYR A O ? ? 1 +2920 C CB A TYR A 236 0.4604 0.8586 0.9723 0.0292 -0.0210 0.0809 246 TYR A CB ? ? 1 +2921 C CB B TYR A 236 0.5065 0.9048 1.0185 0.0292 -0.0211 0.0809 246 TYR A CB ? ? 1 +2922 C CG A TYR A 236 0.4625 0.8640 0.9800 0.0323 -0.0234 0.0784 246 TYR A CG ? ? 1 +2923 C CG B TYR A 236 0.5127 0.9145 1.0304 0.0323 -0.0235 0.0784 246 TYR A CG ? ? 1 +2924 C CD1 A TYR A 236 0.4605 0.8702 0.9819 0.0397 -0.0287 0.0768 246 TYR A CD1 ? ? 1 +2925 C CD1 B TYR A 236 0.5121 0.9228 1.0343 0.0394 -0.0287 0.0767 246 TYR A CD1 ? ? 1 +2926 C CD2 A TYR A 236 0.4664 0.8632 0.9855 0.0279 -0.0204 0.0774 246 TYR A CD2 ? ? 1 +2927 C CD2 B TYR A 236 0.5191 0.9155 1.0378 0.0280 -0.0204 0.0775 246 TYR A CD2 ? ? 1 +2928 C CE1 A TYR A 236 0.4604 0.8733 0.9870 0.0426 -0.0305 0.0745 246 TYR A CE1 ? ? 1 +2929 C CE1 B TYR A 236 0.5149 0.9291 1.0425 0.0423 -0.0305 0.0743 246 TYR A CE1 ? ? 1 +2930 C CE2 A TYR A 236 0.4661 0.8655 0.9896 0.0308 -0.0224 0.0751 246 TYR A CE2 ? ? 1 +2931 C CE2 B TYR A 236 0.5204 0.9196 1.0438 0.0309 -0.0224 0.0751 246 TYR A CE2 ? ? 1 +2932 C CZ A TYR A 236 0.4641 0.8716 0.9915 0.0382 -0.0273 0.0737 246 TYR A CZ ? ? 1 +2933 C CZ B TYR A 236 0.5209 0.9290 1.0488 0.0381 -0.0273 0.0736 246 TYR A CZ ? ? 1 +2934 O OH A TYR A 236 0.4680 0.8783 1.0000 0.0411 -0.0289 0.0713 246 TYR A OH ? ? 1 +2935 O OH B TYR A 236 0.5326 0.9437 1.0653 0.0409 -0.0289 0.0712 246 TYR A OH ? ? 1 +2936 N N A ASN A 237 0.4895 0.8465 0.9714 0.0304 -0.0150 0.0861 247 ASN A N ? ? 1 +2937 N N B ASN A 237 0.5311 0.8876 1.0124 0.0301 -0.0147 0.0863 247 ASN A N ? ? 1 +2938 C CA A ASN A 237 0.5041 0.8429 0.9744 0.0312 -0.0127 0.0874 247 ASN A CA ? ? 1 +2939 C CA B ASN A 237 0.5445 0.8828 1.0145 0.0306 -0.0123 0.0876 247 ASN A CA ? ? 1 +2940 C C A ASN A 237 0.4968 0.8379 0.9750 0.0270 -0.0112 0.0849 247 ASN A C ? ? 1 +2941 C C B ASN A 237 0.5378 0.8793 1.0162 0.0266 -0.0111 0.0850 247 ASN A C ? ? 1 +2942 O O A ASN A 237 0.4943 0.8355 0.9765 0.0187 -0.0069 0.0845 247 ASN A O ? ? 1 +2943 O O B ASN A 237 0.5343 0.8774 1.0179 0.0183 -0.0070 0.0843 247 ASN A O ? ? 1 +2944 C CB A ASN A 237 0.5177 0.8419 0.9765 0.0264 -0.0073 0.0906 247 ASN A CB ? ? 1 +2945 C CB B ASN A 237 0.5568 0.8809 1.0157 0.0254 -0.0066 0.0907 247 ASN A CB ? ? 1 +2946 C CG A ASN A 237 0.5365 0.8407 0.9824 0.0268 -0.0045 0.0922 247 ASN A CG ? ? 1 +2947 C CG B ASN A 237 0.5740 0.8779 1.0201 0.0253 -0.0035 0.0924 247 ASN A CG ? ? 1 +2948 O OD1 A ASN A 237 0.5387 0.8399 0.9849 0.0300 -0.0063 0.0908 247 ASN A OD1 ? ? 1 +2949 O OD1 B ASN A 237 0.5758 0.8762 1.0220 0.0281 -0.0051 0.0910 247 ASN A OD1 ? ? 1 +2950 N ND2 A ASN A 237 0.5504 0.8401 0.9845 0.0235 0.0003 0.0953 247 ASN A ND2 ? ? 1 +2951 N ND2 B ASN A 237 0.5860 0.8759 1.0206 0.0217 0.0013 0.0954 247 ASN A ND2 ? ? 1 +2952 N N A ILE A 238 0.4931 0.8364 0.9737 0.0330 -0.0150 0.0830 248 ILE A N ? ? 1 +2953 N N B ILE A 238 0.5363 0.8787 1.0161 0.0328 -0.0148 0.0833 248 ILE A N ? ? 1 +2954 C CA A ILE A 238 0.4844 0.8318 0.9732 0.0298 -0.0143 0.0802 248 ILE A CA ? ? 1 +2955 C CA B ILE A 238 0.5283 0.8750 1.0164 0.0300 -0.0142 0.0804 248 ILE A CA ? ? 1 +2956 C C A ILE A 238 0.4962 0.8274 0.9771 0.0245 -0.0094 0.0812 248 ILE A C ? ? 1 +2957 C C B ILE A 238 0.5412 0.8717 1.0214 0.0247 -0.0094 0.0813 248 ILE A C ? ? 1 +2958 O O A ILE A 238 0.4903 0.8251 0.9785 0.0184 -0.0073 0.0791 248 ILE A O ? ? 1 +2959 O O B ILE A 238 0.5358 0.8701 1.0235 0.0188 -0.0074 0.0792 248 ILE A O ? ? 1 +2960 C CB A ILE A 238 0.4836 0.8345 0.9747 0.0380 -0.0189 0.0783 248 ILE A CB ? ? 1 +2961 C CB B ILE A 238 0.5274 0.8782 1.0180 0.0382 -0.0190 0.0784 248 ILE A CB ? ? 1 +2962 C CG1 A ILE A 238 0.4737 0.8327 0.9757 0.0345 -0.0185 0.0750 248 ILE A CG1 ? ? 1 +2963 C CG1 B ILE A 238 0.5189 0.8779 1.0205 0.0349 -0.0187 0.0751 248 ILE A CG1 ? ? 1 +2964 C CG2 A ILE A 238 0.5049 0.8374 0.9809 0.0446 -0.0195 0.0802 248 ILE A CG2 ? ? 1 +2965 C CG2 B ILE A 238 0.5491 0.8819 1.0248 0.0453 -0.0199 0.0803 248 ILE A CG2 ? ? 1 +2966 C CD1 A ILE A 238 0.4691 0.8363 0.9768 0.0416 -0.0228 0.0725 248 ILE A CD1 ? ? 1 +2967 C CD1 B ILE A 238 0.5160 0.8827 1.0230 0.0419 -0.0229 0.0727 248 ILE A CD1 ? ? 1 +2968 N N A VAL A 239 0.5136 0.8267 0.9791 0.0266 -0.0076 0.0842 249 VAL A N ? ? 1 +2969 N N B VAL A 239 0.5600 0.8723 1.0248 0.0269 -0.0075 0.0844 249 VAL A N ? ? 1 +2970 C CA A VAL A 239 0.5272 0.8230 0.9836 0.0219 -0.0028 0.0853 249 VAL A CA ? ? 1 +2971 C CA B VAL A 239 0.5744 0.8695 1.0302 0.0220 -0.0027 0.0854 249 VAL A CA ? ? 1 +2972 C C A VAL A 239 0.5199 0.8187 0.9816 0.0112 0.0023 0.0853 249 VAL A C ? ? 1 +2973 C C B VAL A 239 0.5661 0.8647 1.0276 0.0113 0.0023 0.0853 249 VAL A C ? ? 1 +2974 O O A VAL A 239 0.5233 0.8166 0.9859 0.0050 0.0057 0.0842 249 VAL A O ? ? 1 +2975 O O B VAL A 239 0.5683 0.8626 1.0318 0.0049 0.0055 0.0841 249 VAL A O ? ? 1 +2976 C CB A VAL A 239 0.5502 0.8253 0.9879 0.0271 -0.0020 0.0888 249 VAL A CB ? ? 1 +2977 C CB B VAL A 239 0.5990 0.8731 1.0360 0.0270 -0.0018 0.0889 249 VAL A CB ? ? 1 +2978 C CG1 A VAL A 239 0.5666 0.8232 0.9946 0.0211 0.0037 0.0901 249 VAL A CG1 ? ? 1 +2979 C CG1 B VAL A 239 0.6166 0.8725 1.0443 0.0212 0.0037 0.0900 249 VAL A CG1 ? ? 1 +2980 C CG2 A VAL A 239 0.5572 0.8290 0.9899 0.0379 -0.0071 0.0885 249 VAL A CG2 ? ? 1 +2981 C CG2 B VAL A 239 0.6073 0.8782 1.0390 0.0380 -0.0070 0.0888 249 VAL A CG2 ? ? 1 +2982 N N A ALA A 240 0.5100 0.8177 0.9754 0.0092 0.0027 0.0863 250 ALA A N ? ? 1 +2983 N N B ALA A 240 0.5571 0.8637 1.0215 0.0094 0.0028 0.0866 250 ALA A N ? ? 1 +2984 C CA A ALA A 240 0.5019 0.8147 0.9737 -0.0003 0.0073 0.0862 250 ALA A CA ? ? 1 +2985 C CA B ALA A 240 0.5487 0.8609 1.0198 -0.0001 0.0073 0.0864 250 ALA A CA ? ? 1 +2986 C C A ALA A 240 0.4805 0.8103 0.9689 -0.0050 0.0062 0.0825 250 ALA A C ? ? 1 +2987 C C B ALA A 240 0.5253 0.8548 1.0132 -0.0048 0.0063 0.0827 250 ALA A C ? ? 1 +2988 O O A ALA A 240 0.4783 0.8087 0.9717 -0.0130 0.0099 0.0814 250 ALA A O ? ? 1 +2989 O O B ALA A 240 0.5226 0.8530 1.0155 -0.0129 0.0100 0.0816 250 ALA A O ? ? 1 +2990 C CB A ALA A 240 0.4987 0.8164 0.9694 -0.0003 0.0077 0.0882 250 ALA A CB ? ? 1 +2991 C CB B ALA A 240 0.5456 0.8628 1.0156 0.0001 0.0076 0.0884 250 ALA A CB ? ? 1 +2992 N N A ALA A 241 0.4641 0.8078 0.9610 0.0003 0.0012 0.0806 251 ALA A N ? ? 1 +2993 N N B ALA A 241 0.5062 0.8493 1.0025 0.0005 0.0012 0.0807 251 ALA A N ? ? 1 +2994 C CA A ALA A 241 0.4438 0.8032 0.9555 -0.0029 -0.0002 0.0772 251 ALA A CA ? ? 1 +2995 C CA B ALA A 241 0.4839 0.8428 0.9951 -0.0028 -0.0002 0.0773 251 ALA A CA ? ? 1 +2996 C C A ALA A 241 0.4461 0.7987 0.9577 -0.0054 0.0009 0.0753 251 ALA A C ? ? 1 +2997 C C B ALA A 241 0.4832 0.8356 0.9945 -0.0052 0.0009 0.0753 251 ALA A C ? ? 1 +2998 O O A ALA A 241 0.4384 0.7968 0.9583 -0.0122 0.0027 0.0732 251 ALA A O ? ? 1 +2999 O O B ALA A 241 0.4748 0.8335 0.9948 -0.0120 0.0026 0.0732 251 ALA A O ? ? 1 +3000 C CB A ALA A 241 0.4320 0.8052 0.9509 0.0038 -0.0057 0.0757 251 ALA A CB ? ? 1 +3001 C CB B ALA A 241 0.4730 0.8459 0.9916 0.0039 -0.0056 0.0758 251 ALA A CB ? ? 1 +3002 N N A HIS A 242 0.4573 0.7971 0.9589 0.0006 -0.0003 0.0759 252 HIS A N ? ? 1 +3003 N N B HIS A 242 0.4926 0.8324 0.9942 0.0007 -0.0004 0.0759 252 HIS A N ? ? 1 +3004 C CA A HIS A 242 0.4623 0.7932 0.9616 -0.0008 0.0007 0.0743 252 HIS A CA ? ? 1 +3005 C CA B HIS A 242 0.4961 0.8270 0.9954 -0.0008 0.0007 0.0743 252 HIS A CA ? ? 1 +3006 C C A HIS A 242 0.4719 0.7909 0.9664 -0.0092 0.0061 0.0751 252 HIS A C ? ? 1 +3007 C C B HIS A 242 0.5053 0.8246 0.9999 -0.0094 0.0062 0.0751 252 HIS A C ? ? 1 +3008 O O A HIS A 242 0.4713 0.7893 0.9696 -0.0143 0.0076 0.0728 252 HIS A O ? ? 1 +3009 O O B HIS A 242 0.5050 0.8242 1.0042 -0.0147 0.0076 0.0728 252 HIS A O ? ? 1 +3010 C CB A HIS A 242 0.4757 0.7941 0.9639 0.0080 -0.0016 0.0753 252 HIS A CB ? ? 1 +3011 C CB B HIS A 242 0.5087 0.8269 0.9968 0.0079 -0.0015 0.0753 252 HIS A CB ? ? 1 +3012 C CG A HIS A 242 0.4862 0.7931 0.9699 0.0075 -0.0005 0.0738 252 HIS A CG ? ? 1 +3013 C CG B HIS A 242 0.5198 0.8262 1.0033 0.0071 -0.0003 0.0739 252 HIS A CG ? ? 1 +3014 N ND1 A HIS A 242 0.4756 0.7915 0.9692 0.0054 -0.0016 0.0703 252 HIS A ND1 ? ? 1 +3015 N ND1 B HIS A 242 0.5103 0.8255 1.0034 0.0057 -0.0016 0.0704 252 HIS A ND1 ? ? 1 +3016 C CD2 A HIS A 242 0.5065 0.7934 0.9763 0.0090 0.0015 0.0754 252 HIS A CD2 ? ? 1 +3017 C CD2 B HIS A 242 0.5398 0.8260 1.0096 0.0076 0.0022 0.0755 252 HIS A CD2 ? ? 1 +3018 C CE1 A HIS A 242 0.4890 0.7904 0.9748 0.0056 -0.0003 0.0698 252 HIS A CE1 ? ? 1 +3019 C CE1 B HIS A 242 0.5230 0.8235 1.0083 0.0054 -0.0001 0.0699 252 HIS A CE1 ? ? 1 +3020 N NE2 A HIS A 242 0.5081 0.7917 0.9796 0.0077 0.0016 0.0728 252 HIS A NE2 ? ? 1 +3021 N NE2 B HIS A 242 0.5420 0.8246 1.0132 0.0064 0.0023 0.0729 252 HIS A NE2 ? ? 1 +3022 N N A GLY A 243 0.4805 0.7904 0.9663 -0.0107 0.0092 0.0782 253 GLY A N ? ? 1 +3023 N N B GLY A 243 0.5140 0.8233 0.9993 -0.0105 0.0092 0.0783 253 GLY A N ? ? 1 +3024 C CA A GLY A 243 0.4902 0.7887 0.9710 -0.0188 0.0149 0.0792 253 GLY A CA ? ? 1 +3025 C CA B GLY A 243 0.5223 0.8206 1.0029 -0.0188 0.0149 0.0793 253 GLY A CA ? ? 1 +3026 C C A GLY A 243 0.4743 0.7865 0.9687 -0.0279 0.0170 0.0771 253 GLY A C ? ? 1 +3027 C C B GLY A 243 0.5049 0.8173 0.9993 -0.0277 0.0169 0.0771 253 GLY A C ? ? 1 +3028 O O A GLY A 243 0.4798 0.7867 0.9751 -0.0353 0.0206 0.0760 253 GLY A O ? ? 1 +3029 O O B GLY A 243 0.5108 0.8181 1.0063 -0.0351 0.0204 0.0760 253 GLY A O ? ? 1 +3030 N N A TYR A 244 0.4539 0.7836 0.9586 -0.0270 0.0145 0.0764 254 TYR A N ? ? 1 +3031 N N B TYR A 244 0.4814 0.8113 0.9862 -0.0268 0.0144 0.0764 254 TYR A N ? ? 1 +3032 C CA A TYR A 244 0.4359 0.7804 0.9543 -0.0342 0.0156 0.0743 254 TYR A CA ? ? 1 +3033 C CA B TYR A 244 0.4610 0.8058 0.9795 -0.0341 0.0155 0.0742 254 TYR A CA ? ? 1 +3034 C C A TYR A 244 0.4264 0.7787 0.9542 -0.0358 0.0134 0.0705 254 TYR A C ? ? 1 +3035 C C B TYR A 244 0.4533 0.8056 0.9811 -0.0357 0.0133 0.0705 254 TYR A C ? ? 1 +3036 O O A TYR A 244 0.4265 0.7779 0.9583 -0.0429 0.0159 0.0687 254 TYR A O ? ? 1 +3037 O O B TYR A 244 0.4522 0.8042 0.9844 -0.0430 0.0158 0.0687 254 TYR A O ? ? 1 +3038 C CB A TYR A 244 0.4192 0.7794 0.9451 -0.0319 0.0133 0.0746 254 TYR A CB ? ? 1 +3039 C CB B TYR A 244 0.4415 0.8020 0.9675 -0.0319 0.0133 0.0746 254 TYR A CB ? ? 1 +3040 C CG A TYR A 244 0.3998 0.7771 0.9407 -0.0377 0.0132 0.0719 254 TYR A CG ? ? 1 +3041 C CG B TYR A 244 0.4198 0.7971 0.9607 -0.0378 0.0133 0.0720 254 TYR A CG ? ? 1 +3042 C CD1 A TYR A 244 0.3975 0.7765 0.9423 -0.0458 0.0175 0.0719 254 TYR A CD1 ? ? 1 +3043 C CD1 B TYR A 244 0.4156 0.7941 0.9602 -0.0460 0.0176 0.0719 254 TYR A CD1 ? ? 1 +3044 C CD2 A TYR A 244 0.3831 0.7745 0.9341 -0.0351 0.0089 0.0694 254 TYR A CD2 ? ? 1 +3045 C CD2 B TYR A 244 0.4008 0.7925 0.9520 -0.0353 0.0090 0.0694 254 TYR A CD2 ? ? 1 +3046 C CE1 A TYR A 244 0.3804 0.7750 0.9389 -0.0507 0.0171 0.0693 254 TYR A CE1 ? ? 1 +3047 C CE1 B TYR A 244 0.3972 0.7911 0.9553 -0.0510 0.0174 0.0694 254 TYR A CE1 ? ? 1 +3048 C CE2 A TYR A 244 0.3671 0.7733 0.9311 -0.0401 0.0087 0.0670 254 TYR A CE2 ? ? 1 +3049 C CE2 B TYR A 244 0.3841 0.7904 0.9482 -0.0404 0.0089 0.0670 254 TYR A CE2 ? ? 1 +3050 C CZ A TYR A 244 0.3660 0.7737 0.9335 -0.0478 0.0126 0.0669 254 TYR A CZ ? ? 1 +3051 C CZ B TYR A 244 0.3822 0.7896 0.9496 -0.0481 0.0129 0.0670 254 TYR A CZ ? ? 1 +3052 O OH A TYR A 244 0.3498 0.7720 0.9300 -0.0523 0.0122 0.0645 254 TYR A OH ? ? 1 +3053 O OH B TYR A 244 0.3641 0.7860 0.9442 -0.0527 0.0125 0.0646 254 TYR A OH ? ? 1 +3054 N N A PHE A 245 0.4179 0.7780 0.9492 -0.0290 0.0087 0.0693 255 PHE A N ? ? 1 +3055 N N B PHE A 245 0.4475 0.8066 0.9782 -0.0288 0.0087 0.0693 255 PHE A N ? ? 1 +3056 C CA A PHE A 245 0.4072 0.7765 0.9479 -0.0298 0.0063 0.0658 255 PHE A CA ? ? 1 +3057 C CA B PHE A 245 0.4382 0.8066 0.9783 -0.0296 0.0062 0.0658 255 PHE A CA ? ? 1 +3058 C C A PHE A 245 0.4184 0.7747 0.9537 -0.0320 0.0077 0.0644 255 PHE A C ? ? 1 +3059 C C B PHE A 245 0.4487 0.8043 0.9835 -0.0316 0.0076 0.0644 255 PHE A C ? ? 1 +3060 O O A PHE A 245 0.4115 0.7729 0.9540 -0.0365 0.0077 0.0615 255 PHE A O ? ? 1 +3061 O O B PHE A 245 0.4403 0.8013 0.9825 -0.0360 0.0074 0.0614 255 PHE A O ? ? 1 +3062 C CB A PHE A 245 0.3984 0.7768 0.9424 -0.0216 0.0014 0.0650 255 PHE A CB ? ? 1 +3063 C CB B PHE A 245 0.4303 0.8081 0.9739 -0.0214 0.0013 0.0650 255 PHE A CB ? ? 1 +3064 C CG A PHE A 245 0.3862 0.7758 0.9405 -0.0225 -0.0009 0.0614 255 PHE A CG ? ? 1 +3065 C CG B PHE A 245 0.4201 0.8088 0.9739 -0.0223 -0.0009 0.0614 255 PHE A CG ? ? 1 +3066 C CD1 A PHE A 245 0.3716 0.7756 0.9375 -0.0276 -0.0010 0.0597 255 PHE A CD1 ? ? 1 +3067 C CD1 B PHE A 245 0.4086 0.8094 0.9732 -0.0286 -0.0004 0.0595 255 PHE A CD1 ? ? 1 +3068 C CD2 A PHE A 245 0.3917 0.7766 0.9434 -0.0181 -0.0028 0.0599 255 PHE A CD2 ? ? 1 +3069 C CD2 B PHE A 245 0.4264 0.8127 0.9783 -0.0167 -0.0034 0.0600 255 PHE A CD2 ? ? 1 +3070 C CE1 A PHE A 245 0.3616 0.7750 0.9360 -0.0283 -0.0030 0.0565 255 PHE A CE1 ? ? 1 +3071 C CE1 B PHE A 245 0.3987 0.8085 0.9715 -0.0293 -0.0024 0.0563 255 PHE A CE1 ? ? 1 +3072 C CE2 A PHE A 245 0.3809 0.7756 0.9413 -0.0190 -0.0046 0.0566 255 PHE A CE2 ? ? 1 +3073 C CE2 B PHE A 245 0.4153 0.8110 0.9757 -0.0175 -0.0052 0.0567 255 PHE A CE2 ? ? 1 +3074 C CZ A PHE A 245 0.3662 0.7747 0.9376 -0.0241 -0.0047 0.0550 255 PHE A CZ ? ? 1 +3075 C CZ B PHE A 245 0.4020 0.8090 0.9724 -0.0239 -0.0047 0.0550 255 PHE A CZ ? ? 1 +3076 N N A GLY A 246 0.4362 0.7753 0.9581 -0.0284 0.0089 0.0666 256 GLY A N ? ? 1 +3077 N N B GLY A 246 0.4672 0.8057 0.9888 -0.0281 0.0088 0.0664 256 GLY A N ? ? 1 +3078 C CA A GLY A 246 0.4501 0.7746 0.9650 -0.0301 0.0105 0.0656 256 GLY A CA ? ? 1 +3079 C CA B GLY A 246 0.4817 0.8054 0.9963 -0.0302 0.0106 0.0655 256 GLY A CA ? ? 1 +3080 C C A GLY A 246 0.4524 0.7737 0.9700 -0.0404 0.0147 0.0645 256 GLY A C ? ? 1 +3081 C C B GLY A 246 0.4823 0.8031 0.9996 -0.0405 0.0148 0.0645 256 GLY A C ? ? 1 +3082 O O A GLY A 246 0.4544 0.7726 0.9736 -0.0438 0.0150 0.0619 256 GLY A O ? ? 1 +3083 O O B GLY A 246 0.4838 0.8021 1.0033 -0.0442 0.0151 0.0618 256 GLY A O ? ? 1 +3084 N N A ARG A 247 0.4520 0.7744 0.9701 -0.0451 0.0180 0.0664 257 ARG A N ? ? 1 +3085 N N B ARG A 247 0.4806 0.8018 0.9978 -0.0450 0.0181 0.0665 257 ARG A N ? ? 1 +3086 C CA A ARG A 247 0.4555 0.7753 0.9764 -0.0550 0.0224 0.0655 257 ARG A CA ? ? 1 +3087 C CA B ARG A 247 0.4821 0.8013 1.0025 -0.0549 0.0225 0.0655 257 ARG A CA ? ? 1 +3088 C C A ARG A 247 0.4373 0.7757 0.9739 -0.0600 0.0210 0.0622 257 ARG A C ? ? 1 +3089 C C B ARG A 247 0.4631 0.8011 0.9994 -0.0599 0.0211 0.0623 257 ARG A C ? ? 1 +3090 O O A ARG A 247 0.4387 0.7771 0.9800 -0.0674 0.0229 0.0599 257 ARG A O ? ? 1 +3091 O O B ARG A 247 0.4652 0.8032 1.0061 -0.0676 0.0232 0.0601 257 ARG A O ? ? 1 +3092 C CB A ARG A 247 0.4637 0.7765 0.9783 -0.0580 0.0269 0.0688 257 ARG A CB ? ? 1 +3093 C CB B ARG A 247 0.4899 0.8021 1.0041 -0.0580 0.0270 0.0689 257 ARG A CB ? ? 1 +3094 C CG A ARG A 247 0.4856 0.7770 0.9833 -0.0546 0.0291 0.0719 257 ARG A CG ? ? 1 +3095 C CG B ARG A 247 0.5117 0.8026 1.0090 -0.0545 0.0292 0.0720 257 ARG A CG ? ? 1 +3096 C CD A ARG A 247 0.4955 0.7794 0.9862 -0.0574 0.0338 0.0753 257 ARG A CD ? ? 1 +3097 C CD B ARG A 247 0.5226 0.8056 1.0129 -0.0579 0.0341 0.0752 257 ARG A CD ? ? 1 +3098 N NE A ARG A 247 0.5190 0.7806 0.9926 -0.0550 0.0364 0.0781 257 ARG A NE ? ? 1 +3099 N NE B ARG A 247 0.5461 0.8070 1.0193 -0.0551 0.0365 0.0782 257 ARG A NE ? ? 1 +3100 C CZ A ARG A 247 0.5290 0.7823 0.9917 -0.0458 0.0339 0.0806 257 ARG A CZ ? ? 1 +3101 C CZ B ARG A 247 0.5569 0.8101 1.0196 -0.0458 0.0338 0.0805 257 ARG A CZ ? ? 1 +3102 N NH1 A ARG A 247 0.5176 0.7831 0.9845 -0.0386 0.0291 0.0808 257 ARG A NH1 ? ? 1 +3103 N NH1 B ARG A 247 0.5471 0.8131 1.0145 -0.0388 0.0291 0.0807 257 ARG A NH1 ? ? 1 +3104 N NH2 A ARG A 247 0.5511 0.7832 0.9982 -0.0439 0.0361 0.0828 257 ARG A NH2 ? ? 1 +3105 N NH2 B ARG A 247 0.5785 0.8106 1.0255 -0.0435 0.0359 0.0828 257 ARG A NH2 ? ? 1 +3106 N N A LEU A 248 0.4218 0.7757 0.9662 -0.0558 0.0175 0.0620 258 LEU A N ? ? 1 +3107 N N B LEU A 248 0.4469 0.8004 0.9910 -0.0556 0.0174 0.0620 258 LEU A N ? ? 1 +3108 C CA A LEU A 248 0.4054 0.7771 0.9642 -0.0595 0.0157 0.0591 258 LEU A CA ? ? 1 +3109 C CA B LEU A 248 0.4308 0.8020 0.9892 -0.0594 0.0157 0.0591 258 LEU A CA ? ? 1 +3110 C C A LEU A 248 0.4070 0.7785 0.9689 -0.0608 0.0138 0.0555 258 LEU A C ? ? 1 +3111 C C B LEU A 248 0.4341 0.8061 0.9963 -0.0606 0.0137 0.0555 258 LEU A C ? ? 1 +3112 O O A LEU A 248 0.4015 0.7784 0.9711 -0.0676 0.0146 0.0529 258 LEU A O ? ? 1 +3113 O O B LEU A 248 0.4260 0.8052 0.9968 -0.0670 0.0141 0.0528 258 LEU A O ? ? 1 +3114 C CB A LEU A 248 0.3896 0.7759 0.9545 -0.0538 0.0121 0.0595 258 LEU A CB ? ? 1 +3115 C CB B LEU A 248 0.4140 0.8000 0.9787 -0.0538 0.0122 0.0596 258 LEU A CB ? ? 1 +3116 C CG A LEU A 248 0.3712 0.7755 0.9501 -0.0568 0.0100 0.0567 258 LEU A CG ? ? 1 +3117 C CG B LEU A 248 0.3945 0.7985 0.9731 -0.0567 0.0101 0.0568 258 LEU A CG ? ? 1 +3118 C CD1 A LEU A 248 0.3682 0.7775 0.9533 -0.0649 0.0134 0.0564 258 LEU A CD1 ? ? 1 +3119 C CD1 B LEU A 248 0.3908 0.8003 0.9760 -0.0648 0.0134 0.0564 258 LEU A CD1 ? ? 1 +3120 C CD2 A LEU A 248 0.3571 0.7740 0.9407 -0.0508 0.0065 0.0572 258 LEU A CD2 ? ? 1 +3121 C CD2 B LEU A 248 0.3797 0.7962 0.9629 -0.0506 0.0066 0.0573 258 LEU A CD2 ? ? 1 +3122 N N A ILE A 249 0.4159 0.7812 0.9718 -0.0541 0.0113 0.0554 259 ILE A N ? ? 1 +3123 N N B ILE A 249 0.4482 0.8127 1.0037 -0.0542 0.0114 0.0554 259 ILE A N ? ? 1 +3124 C CA A ILE A 249 0.4210 0.7836 0.9776 -0.0546 0.0097 0.0523 259 ILE A CA ? ? 1 +3125 C CA B ILE A 249 0.4555 0.8184 1.0124 -0.0547 0.0097 0.0521 259 ILE A CA ? ? 1 +3126 C C A ILE A 249 0.4458 0.7881 0.9902 -0.0556 0.0124 0.0530 259 ILE A C ? ? 1 +3127 C C B ILE A 249 0.4851 0.8280 1.0302 -0.0559 0.0122 0.0526 259 ILE A C ? ? 1 +3128 O O A ILE A 249 0.4548 0.7901 0.9978 -0.0629 0.0160 0.0528 259 ILE A O ? ? 1 +3129 O O B ILE A 249 0.4940 0.8307 1.0387 -0.0635 0.0154 0.0518 259 ILE A O ? ? 1 +3130 C CB A ILE A 249 0.4113 0.7812 0.9701 -0.0466 0.0053 0.0513 259 ILE A CB ? ? 1 +3131 C CB B ILE A 249 0.4440 0.8148 1.0034 -0.0467 0.0052 0.0511 259 ILE A CB ? ? 1 +3132 C CG1 A ILE A 249 0.3935 0.7811 0.9619 -0.0446 0.0031 0.0516 259 ILE A CG1 ? ? 1 +3133 C CG1 B ILE A 249 0.4259 0.8144 0.9950 -0.0449 0.0031 0.0515 259 ILE A CG1 ? ? 1 +3134 C CG2 A ILE A 249 0.4101 0.7808 0.9720 -0.0478 0.0037 0.0476 259 ILE A CG2 ? ? 1 +3135 C CG2 B ILE A 249 0.4434 0.8148 1.0058 -0.0478 0.0035 0.0475 259 ILE A CG2 ? ? 1 +3136 C CD1 A ILE A 249 0.3803 0.7817 0.9607 -0.0508 0.0028 0.0491 259 ILE A CD1 ? ? 1 +3137 C CD1 B ILE A 249 0.4137 0.8157 0.9945 -0.0514 0.0030 0.0492 259 ILE A CD1 ? ? 1 +3138 N N A PHE A 250 0.4591 0.7921 0.9947 -0.0481 0.0108 0.0539 260 PHE A N ? ? 1 +3139 N N B PHE A 250 0.5047 0.8377 1.0405 -0.0484 0.0108 0.0537 260 PHE A N ? ? 1 +3140 C CA A PHE A 250 0.4845 0.7970 1.0065 -0.0473 0.0133 0.0554 260 PHE A CA ? ? 1 +3141 C CA B PHE A 250 0.5365 0.8490 1.0589 -0.0478 0.0133 0.0551 260 PHE A CA ? ? 1 +3142 C C A PHE A 250 0.4932 0.8000 1.0067 -0.0370 0.0109 0.0576 260 PHE A C ? ? 1 +3143 C C B PHE A 250 0.5467 0.8537 1.0606 -0.0376 0.0111 0.0574 260 PHE A C ? ? 1 +3144 O O A PHE A 250 0.4816 0.8000 1.0007 -0.0311 0.0072 0.0568 260 PHE A O ? ? 1 +3145 O O B PHE A 250 0.5343 0.8533 1.0539 -0.0317 0.0074 0.0568 260 PHE A O ? ? 1 +3146 C CB A PHE A 250 0.4943 0.7983 1.0147 -0.0515 0.0139 0.0523 260 PHE A CB ? ? 1 +3147 C CB B PHE A 250 0.5507 0.8555 1.0718 -0.0515 0.0136 0.0519 260 PHE A CB ? ? 1 +3148 C CG A PHE A 250 0.4882 0.7990 1.0131 -0.0473 0.0100 0.0492 260 PHE A CG ? ? 1 +3149 C CG B PHE A 250 0.5489 0.8622 1.0754 -0.0472 0.0095 0.0488 260 PHE A CG ? ? 1 +3150 C CD1 A PHE A 250 0.4949 0.7994 1.0127 -0.0385 0.0078 0.0497 260 PHE A CD1 ? ? 1 +3151 C CD1 B PHE A 250 0.5581 0.8656 1.0779 -0.0384 0.0073 0.0492 260 PHE A CD1 ? ? 1 +3152 C CD2 A PHE A 250 0.4763 0.7995 1.0122 -0.0521 0.0085 0.0457 260 PHE A CD2 ? ? 1 +3153 C CD2 B PHE A 250 0.5397 0.8668 1.0779 -0.0518 0.0080 0.0456 260 PHE A CD2 ? ? 1 +3154 C CE1 A PHE A 250 0.4887 0.7994 1.0105 -0.0347 0.0047 0.0468 260 PHE A CE1 ? ? 1 +3155 C CE1 B PHE A 250 0.5521 0.8675 1.0769 -0.0346 0.0040 0.0464 260 PHE A CE1 ? ? 1 +3156 C CE2 A PHE A 250 0.4712 0.7999 1.0103 -0.0482 0.0053 0.0429 260 PHE A CE2 ? ? 1 +3157 C CE2 B PHE A 250 0.5368 0.8711 1.0792 -0.0479 0.0046 0.0429 260 PHE A CE2 ? ? 1 +3158 C CZ A PHE A 250 0.4768 0.7993 1.0090 -0.0397 0.0035 0.0435 260 PHE A CZ ? ? 1 +3159 C CZ B PHE A 250 0.5406 0.8691 1.0764 -0.0394 0.0028 0.0433 260 PHE A CZ ? ? 1 +3160 N N A GLN A 251 0.5171 0.8058 1.0171 -0.0351 0.0133 0.0603 261 GLN A N ? ? 1 +3161 N N B GLN A 251 0.5758 0.8646 1.0762 -0.0356 0.0134 0.0600 261 GLN A N ? ? 1 +3162 C CA A GLN A 251 0.5296 0.8122 1.0206 -0.0257 0.0115 0.0630 261 GLN A CA ? ? 1 +3163 C CA B GLN A 251 0.5940 0.8768 1.0854 -0.0262 0.0116 0.0629 261 GLN A CA ? ? 1 +3164 C C A GLN A 251 0.5267 0.8161 1.0205 -0.0172 0.0069 0.0613 261 GLN A C ? ? 1 +3165 C C B GLN A 251 0.5953 0.8850 1.0894 -0.0176 0.0070 0.0613 261 GLN A C ? ? 1 +3166 O O A GLN A 251 0.5190 0.8155 1.0137 -0.0102 0.0041 0.0626 261 GLN A O ? ? 1 +3167 O O B GLN A 251 0.5842 0.8811 1.0794 -0.0108 0.0042 0.0626 261 GLN A O ? ? 1 +3168 C CB A GLN A 251 0.5550 0.8143 1.0300 -0.0250 0.0145 0.0653 261 GLN A CB ? ? 1 +3169 C CB B GLN A 251 0.6213 0.8809 1.0967 -0.0255 0.0146 0.0652 261 GLN A CB ? ? 1 +3170 C CG A GLN A 251 0.5671 0.8179 1.0312 -0.0148 0.0125 0.0681 261 GLN A CG ? ? 1 +3171 C CG B GLN A 251 0.6367 0.8881 1.1013 -0.0160 0.0131 0.0684 261 GLN A CG ? ? 1 +3172 C CD A GLN A 251 0.5933 0.8203 1.0409 -0.0143 0.0157 0.0704 261 GLN A CD ? ? 1 +3173 C CD B GLN A 251 0.6654 0.8928 1.1133 -0.0149 0.0159 0.0705 261 GLN A CD ? ? 1 +3174 O OE1 A GLN A 251 0.6040 0.8201 1.0481 -0.0216 0.0195 0.0697 261 GLN A OE1 ? ? 1 +3175 O OE1 B GLN A 251 0.6775 0.8932 1.1213 -0.0217 0.0196 0.0698 261 GLN A OE1 ? ? 1 +3176 N NE2 A GLN A 251 0.6049 0.8228 1.0416 -0.0055 0.0141 0.0732 261 GLN A NE2 ? ? 1 +3177 N NE2 B GLN A 251 0.6775 0.8968 1.1151 -0.0060 0.0142 0.0732 261 GLN A NE2 ? ? 1 +3178 N N A TYR A 252 0.5329 0.8204 1.0283 -0.0181 0.0062 0.0582 262 TYR A N ? ? 1 +3179 N N B TYR A 252 0.6083 0.8957 1.1036 -0.0182 0.0062 0.0582 262 TYR A N ? ? 1 +3180 C CA A TYR A 252 0.5333 0.8238 1.0292 -0.0101 0.0026 0.0566 262 TYR A CA ? ? 1 +3181 C CA B TYR A 252 0.6124 0.9027 1.1081 -0.0099 0.0026 0.0567 262 TYR A CA ? ? 1 +3182 C C A TYR A 252 0.5121 0.8236 1.0223 -0.0097 -0.0004 0.0541 262 TYR A C ? ? 1 +3183 C C B TYR A 252 0.5899 0.9011 1.0998 -0.0095 -0.0004 0.0541 262 TYR A C ? ? 1 +3184 O O A TYR A 252 0.5103 0.8263 1.0227 -0.0039 -0.0031 0.0523 262 TYR A O ? ? 1 +3185 O O B TYR A 252 0.5914 0.9068 1.1032 -0.0035 -0.0031 0.0524 262 TYR A O ? ? 1 +3186 C CB A TYR A 252 0.5504 0.8267 1.0393 -0.0107 0.0035 0.0546 262 TYR A CB ? ? 1 +3187 C CB B TYR A 252 0.6361 0.9118 1.1245 -0.0103 0.0035 0.0547 262 TYR A CB ? ? 1 +3188 C CG A TYR A 252 0.5770 0.8312 1.0510 -0.0110 0.0066 0.0570 262 TYR A CG ? ? 1 +3189 C CG B TYR A 252 0.6714 0.9251 1.1449 -0.0108 0.0067 0.0572 262 TYR A CG ? ? 1 +3190 C CD1 A TYR A 252 0.5912 0.8348 1.0542 -0.0024 0.0057 0.0597 262 TYR A CD1 ? ? 1 +3191 C CD1 B TYR A 252 0.6896 0.9322 1.1519 -0.0021 0.0057 0.0598 262 TYR A CD1 ? ? 1 +3192 C CD2 A TYR A 252 0.5906 0.8345 1.0614 -0.0201 0.0105 0.0566 262 TYR A CD2 ? ? 1 +3193 C CD2 B TYR A 252 0.6935 0.9377 1.1642 -0.0201 0.0106 0.0570 262 TYR A CD2 ? ? 1 +3194 C CE1 A TYR A 252 0.6155 0.8378 1.0639 -0.0026 0.0087 0.0621 262 TYR A CE1 ? ? 1 +3195 C CE1 B TYR A 252 0.7200 0.9415 1.1677 -0.0024 0.0087 0.0622 262 TYR A CE1 ? ? 1 +3196 C CE2 A TYR A 252 0.6134 0.8362 1.0700 -0.0208 0.0137 0.0589 262 TYR A CE2 ? ? 1 +3197 C CE2 B TYR A 252 0.7196 0.9430 1.1763 -0.0209 0.0139 0.0594 262 TYR A CE2 ? ? 1 +3198 C CZ A TYR A 252 0.6273 0.8389 1.0723 -0.0119 0.0129 0.0618 262 TYR A CZ ? ? 1 +3199 C CZ B TYR A 252 0.7367 0.9483 1.1815 -0.0120 0.0130 0.0621 262 TYR A CZ ? ? 1 +3200 O OH A TYR A 252 0.6519 0.8417 1.0819 -0.0123 0.0161 0.0643 262 TYR A OH ? ? 1 +3201 O OH B TYR A 252 0.7654 0.9553 1.1952 -0.0127 0.0164 0.0646 262 TYR A OH ? ? 1 +3202 N N A ALA A 253 0.4982 0.8222 1.0179 -0.0160 0.0003 0.0539 263 ALA A N ? ? 1 +3203 N N B ALA A 253 0.5734 0.8973 1.0930 -0.0158 0.0003 0.0539 263 ALA A N ? ? 1 +3204 C CA A ALA A 253 0.4775 0.8211 1.0101 -0.0158 -0.0023 0.0520 263 ALA A CA ? ? 1 +3205 C CA B ALA A 253 0.5510 0.8947 1.0835 -0.0153 -0.0024 0.0520 263 ALA A CA ? ? 1 +3206 C C A ALA A 253 0.4677 0.8210 1.0030 -0.0107 -0.0041 0.0542 263 ALA A C ? ? 1 +3207 C C B ALA A 253 0.5395 0.8925 1.0744 -0.0103 -0.0042 0.0544 263 ALA A C ? ? 1 +3208 O O A ALA A 253 0.4520 0.8215 0.9975 -0.0097 -0.0063 0.0531 263 ALA A O ? ? 1 +3209 O O B ALA A 253 0.5243 0.8934 1.0693 -0.0090 -0.0065 0.0532 263 ALA A O ? ? 1 +3210 C CB A ALA A 253 0.4683 0.8204 1.0099 -0.0251 -0.0008 0.0503 263 ALA A CB ? ? 1 +3211 C CB B ALA A 253 0.5421 0.8945 1.0837 -0.0245 -0.0011 0.0503 263 ALA A CB ? ? 1 +3212 N N A SER A 254 0.4783 0.8210 1.0039 -0.0075 -0.0032 0.0574 264 SER A N ? ? 1 +3213 N N B SER A 254 0.5492 0.8915 1.0745 -0.0076 -0.0031 0.0576 264 SER A N ? ? 1 +3214 C CA A SER A 254 0.4717 0.8216 0.9985 -0.0034 -0.0047 0.0598 264 SER A CA ? ? 1 +3215 C CA B SER A 254 0.5423 0.8916 1.0685 -0.0037 -0.0045 0.0600 264 SER A CA ? ? 1 +3216 C C A SER A 254 0.4761 0.8216 0.9963 0.0068 -0.0075 0.0608 264 SER A C ? ? 1 +3217 C C B SER A 254 0.5446 0.8891 1.0641 0.0065 -0.0072 0.0611 264 SER A C ? ? 1 +3218 O O A SER A 254 0.4876 0.8193 0.9985 0.0104 -0.0073 0.0609 264 SER A O ? ? 1 +3219 O O B SER A 254 0.5536 0.8824 1.0621 0.0097 -0.0066 0.0619 264 SER A O ? ? 1 +3220 C CB A SER A 254 0.4807 0.8232 1.0018 -0.0079 -0.0014 0.0627 264 SER A CB ? ? 1 +3221 C CB B SER A 254 0.5531 0.8944 1.0735 -0.0084 -0.0010 0.0629 264 SER A CB ? ? 1 +3222 O OG A SER A 254 0.4777 0.8250 0.9978 -0.0034 -0.0029 0.0651 264 SER A OG ? ? 1 +3223 O OG B SER A 254 0.5483 0.8951 1.0684 -0.0048 -0.0022 0.0653 264 SER A OG ? ? 1 +3224 N N A PHE A 255 0.4656 0.8234 0.9911 0.0113 -0.0103 0.0614 265 PHE A N ? ? 1 +3225 N N B PHE A 255 0.5344 0.8927 1.0605 0.0114 -0.0104 0.0610 265 PHE A N ? ? 1 +3226 C CA A PHE A 255 0.4687 0.8252 0.9899 0.0210 -0.0135 0.0622 265 PHE A CA ? ? 1 +3227 C CA B PHE A 255 0.5376 0.8939 1.0589 0.0211 -0.0135 0.0619 265 PHE A CA ? ? 1 +3228 C C A PHE A 255 0.4761 0.8232 0.9871 0.0238 -0.0131 0.0658 265 PHE A C ? ? 1 +3229 C C B PHE A 255 0.5403 0.8875 1.0518 0.0235 -0.0130 0.0656 265 PHE A C ? ? 1 +3230 O O A PHE A 255 0.4716 0.8240 0.9850 0.0203 -0.0122 0.0673 265 PHE A O ? ? 1 +3231 O O B PHE A 255 0.5383 0.8912 1.0526 0.0197 -0.0121 0.0670 265 PHE A O ? ? 1 +3232 C CB A PHE A 255 0.4539 0.8297 0.9870 0.0244 -0.0169 0.0605 265 PHE A CB ? ? 1 +3233 C CB B PHE A 255 0.5280 0.9031 1.0608 0.0250 -0.0170 0.0603 265 PHE A CB ? ? 1 +3234 C CG A PHE A 255 0.4487 0.8333 0.9904 0.0243 -0.0179 0.0571 265 PHE A CG ? ? 1 +3235 C CG B PHE A 255 0.5291 0.9135 1.0707 0.0249 -0.0180 0.0569 265 PHE A CG ? ? 1 +3236 C CD1 A PHE A 255 0.4568 0.8369 0.9954 0.0308 -0.0194 0.0557 265 PHE A CD1 ? ? 1 +3237 C CD1 B PHE A 255 0.5389 0.9192 1.0776 0.0316 -0.0196 0.0554 265 PHE A CD1 ? ? 1 +3238 C CD2 A PHE A 255 0.4360 0.8331 0.9884 0.0180 -0.0172 0.0552 265 PHE A CD2 ? ? 1 +3239 C CD2 B PHE A 255 0.5207 0.9175 1.0729 0.0185 -0.0174 0.0550 265 PHE A CD2 ? ? 1 +3240 C CE1 A PHE A 255 0.4493 0.8372 0.9953 0.0308 -0.0199 0.0525 265 PHE A CE1 ? ? 1 +3241 C CE1 B PHE A 255 0.5326 0.9211 1.0790 0.0315 -0.0202 0.0522 265 PHE A CE1 ? ? 1 +3242 C CE2 A PHE A 255 0.4295 0.8339 0.9887 0.0181 -0.0181 0.0521 265 PHE A CE2 ? ? 1 +3243 C CE2 B PHE A 255 0.5156 0.9202 1.0750 0.0187 -0.0182 0.0519 265 PHE A CE2 ? ? 1 +3244 C CZ A PHE A 255 0.4356 0.8353 0.9915 0.0244 -0.0193 0.0508 265 PHE A CZ ? ? 1 +3245 C CZ B PHE A 255 0.5198 0.9202 1.0761 0.0251 -0.0195 0.0506 265 PHE A CZ ? ? 1 +3246 N N A ASN A 256 0.4888 0.8216 0.9881 0.0304 -0.0138 0.0672 266 ASN A N ? ? 1 +3247 N N B ASN A 256 0.5490 0.8818 1.0486 0.0300 -0.0137 0.0670 266 ASN A N ? ? 1 +3248 C CA A ASN A 256 0.4976 0.8213 0.9864 0.0347 -0.0143 0.0705 266 ASN A CA ? ? 1 +3249 C CA B ASN A 256 0.5545 0.8796 1.0444 0.0344 -0.0143 0.0703 266 ASN A CA ? ? 1 +3250 C C A ASN A 256 0.4912 0.8183 0.9789 0.0455 -0.0190 0.0703 266 ASN A C ? ? 1 +3251 C C B ASN A 256 0.5378 0.8681 1.0277 0.0448 -0.0191 0.0701 266 ASN A C ? ? 1 +3252 O O A ASN A 256 0.5017 0.8194 0.9791 0.0512 -0.0202 0.0728 266 ASN A O ? ? 1 +3253 O O B ASN A 256 0.5381 0.8662 1.0224 0.0491 -0.0207 0.0724 266 ASN A O ? ? 1 +3254 C CB A ASN A 256 0.5215 0.8230 0.9954 0.0331 -0.0108 0.0728 266 ASN A CB ? ? 1 +3255 C CB B ASN A 256 0.5826 0.8852 1.0571 0.0333 -0.0110 0.0727 266 ASN A CB ? ? 1 +3256 C CG A ASN A 256 0.5392 0.8282 1.0042 0.0403 -0.0122 0.0724 266 ASN A CG ? ? 1 +3257 C CG B ASN A 256 0.6044 0.8945 1.0705 0.0399 -0.0121 0.0721 266 ASN A CG ? ? 1 +3258 O OD1 A ASN A 256 0.5361 0.8336 1.0073 0.0458 -0.0154 0.0700 266 ASN A OD1 ? ? 1 +3259 O OD1 B ASN A 256 0.6068 0.9050 1.0792 0.0446 -0.0150 0.0695 266 ASN A OD1 ? ? 1 +3260 N ND2 A ASN A 256 0.5616 0.8302 1.0119 0.0408 -0.0097 0.0747 266 ASN A ND2 ? ? 1 +3261 N ND2 B ASN A 256 0.6302 0.8998 1.0815 0.0405 -0.0098 0.0745 266 ASN A ND2 ? ? 1 +3262 N N A ASN A 257 0.4714 0.8118 0.9697 0.0481 -0.0215 0.0672 267 ASN A N ? ? 1 +3263 N N B ASN A 257 0.5172 0.8543 1.0134 0.0488 -0.0214 0.0673 267 ASN A N ? ? 1 +3264 C CA A ASN A 257 0.4635 0.8112 0.9642 0.0576 -0.0261 0.0664 267 ASN A CA ? ? 1 +3265 C CA B ASN A 257 0.5020 0.8479 1.0016 0.0581 -0.0260 0.0664 267 ASN A CA ? ? 1 +3266 C C A ASN A 257 0.4368 0.8063 0.9524 0.0566 -0.0283 0.0646 267 ASN A C ? ? 1 +3267 C C B ASN A 257 0.4708 0.8382 0.9852 0.0563 -0.0279 0.0647 267 ASN A C ? ? 1 +3268 O O A ASN A 257 0.4238 0.8043 0.9499 0.0537 -0.0281 0.0619 267 ASN A O ? ? 1 +3269 O O B ASN A 257 0.4574 0.8354 0.9822 0.0519 -0.0271 0.0622 267 ASN A O ? ? 1 +3270 C CB A ASN A 257 0.4691 0.8125 0.9687 0.0628 -0.0270 0.0642 267 ASN A CB ? ? 1 +3271 C CB B ASN A 257 0.5058 0.8484 1.0049 0.0634 -0.0271 0.0640 267 ASN A CB ? ? 1 +3272 C CG A ASN A 257 0.4668 0.8184 0.9697 0.0727 -0.0315 0.0630 267 ASN A CG ? ? 1 +3273 C CG B ASN A 257 0.5029 0.8535 1.0049 0.0735 -0.0317 0.0630 267 ASN A CG ? ? 1 +3274 O OD1 A ASN A 257 0.4526 0.8207 0.9656 0.0739 -0.0340 0.0621 267 ASN A OD1 ? ? 1 +3275 O OD1 B ASN A 257 0.4885 0.8544 0.9994 0.0749 -0.0343 0.0625 267 ASN A OD1 ? ? 1 +3276 N ND2 A ASN A 257 0.4811 0.8213 0.9754 0.0801 -0.0326 0.0630 267 ASN A ND2 ? ? 1 +3277 N ND2 B ASN A 257 0.5160 0.8564 1.0107 0.0807 -0.0328 0.0627 267 ASN A ND2 ? ? 1 +3278 N N A SER A 258 0.4280 0.8028 0.9436 0.0589 -0.0304 0.0662 268 SER A N ? ? 1 +3279 N N B SER A 258 0.4575 0.8309 0.9722 0.0597 -0.0304 0.0661 268 SER A N ? ? 1 +3280 C CA A SER A 258 0.4052 0.7993 0.9337 0.0575 -0.0323 0.0649 268 SER A CA ? ? 1 +3281 C CA B SER A 258 0.4319 0.8245 0.9595 0.0579 -0.0322 0.0648 268 SER A CA ? ? 1 +3282 C C A SER A 258 0.3903 0.7978 0.9294 0.0618 -0.0350 0.0616 268 SER A C ? ? 1 +3283 C C B SER A 258 0.4140 0.8206 0.9525 0.0623 -0.0350 0.0616 268 SER A C ? ? 1 +3284 O O A SER A 258 0.3739 0.7966 0.9251 0.0581 -0.0351 0.0596 268 SER A O ? ? 1 +3285 O O B SER A 258 0.3969 0.8189 0.9474 0.0586 -0.0352 0.0597 268 SER A O ? ? 1 +3286 C CB A SER A 258 0.4073 0.8033 0.9325 0.0611 -0.0347 0.0669 268 SER A CB ? ? 1 +3287 C CB B SER A 258 0.4346 0.8285 0.9585 0.0612 -0.0345 0.0670 268 SER A CB ? ? 1 +3288 O OG A SER A 258 0.3911 0.8055 0.9286 0.0596 -0.0366 0.0655 268 SER A OG ? ? 1 +3289 O OG B SER A 258 0.4199 0.8317 0.9558 0.0590 -0.0360 0.0658 268 SER A OG ? ? 1 +3290 N N A ARG A 259 0.3955 0.7969 0.9299 0.0696 -0.0370 0.0609 269 ARG A N ? ? 1 +3291 N N B ARG A 259 0.4164 0.8176 0.9506 0.0702 -0.0371 0.0608 269 ARG A N ? ? 1 +3292 C CA A ARG A 259 0.3835 0.7972 0.9274 0.0746 -0.0394 0.0578 269 ARG A CA ? ? 1 +3293 C CA B ARG A 259 0.4022 0.8163 0.9465 0.0748 -0.0395 0.0577 269 ARG A CA ? ? 1 +3294 C C A ARG A 259 0.3716 0.7895 0.9226 0.0695 -0.0369 0.0553 269 ARG A C ? ? 1 +3295 C C B ARG A 259 0.3901 0.8078 0.9410 0.0696 -0.0368 0.0552 269 ARG A C ? ? 1 +3296 O O A ARG A 259 0.3555 0.7890 0.9185 0.0681 -0.0375 0.0530 269 ARG A O ? ? 1 +3297 O O B ARG A 259 0.3727 0.8058 0.9356 0.0680 -0.0374 0.0529 269 ARG A O ? ? 1 +3298 C CB A ARG A 259 0.3978 0.8034 0.9344 0.0846 -0.0421 0.0578 269 ARG A CB ? ? 1 +3299 C CB B ARG A 259 0.4152 0.8221 0.9528 0.0849 -0.0423 0.0575 269 ARG A CB ? ? 1 +3300 C CG A ARG A 259 0.4034 0.8091 0.9357 0.0908 -0.0458 0.0596 269 ARG A CG ? ? 1 +3301 C CG B ARG A 259 0.4212 0.8268 0.9535 0.0908 -0.0458 0.0595 269 ARG A CG ? ? 1 +3302 C CD A ARG A 259 0.4132 0.8161 0.9419 0.1015 -0.0494 0.0587 269 ARG A CD ? ? 1 +3303 C CD B ARG A 259 0.4297 0.8329 0.9586 0.1016 -0.0495 0.0587 269 ARG A CD ? ? 1 +3304 N NE A ARG A 259 0.4160 0.8222 0.9427 0.1072 -0.0535 0.0599 269 ARG A NE ? ? 1 +3305 N NE B ARG A 259 0.4325 0.8383 0.9588 0.1069 -0.0534 0.0601 269 ARG A NE ? ? 1 +3306 C CZ A ARG A 259 0.4223 0.8309 0.9486 0.1168 -0.0578 0.0589 269 ARG A CZ ? ? 1 +3307 C CZ B ARG A 259 0.4381 0.8471 0.9645 0.1165 -0.0579 0.0591 269 ARG A CZ ? ? 1 +3308 N NH1 A ARG A 259 0.4274 0.8344 0.9545 0.1225 -0.0584 0.0569 269 ARG A NH1 ? ? 1 +3309 N NH1 B ARG A 259 0.4436 0.8512 0.9707 0.1225 -0.0587 0.0571 269 ARG A NH1 ? ? 1 +3310 N NH2 A ARG A 259 0.4235 0.8362 0.9487 0.1211 -0.0617 0.0598 269 ARG A NH2 ? ? 1 +3311 N NH2 B ARG A 259 0.4383 0.8520 0.9640 0.1202 -0.0617 0.0600 269 ARG A NH2 ? ? 1 +3312 N N A SER A 260 0.3790 0.7826 0.9221 0.0667 -0.0340 0.0557 270 SER A N ? ? 1 +3313 N N B SER A 260 0.3985 0.8015 0.9411 0.0669 -0.0340 0.0557 270 SER A N ? ? 1 +3314 C CA A SER A 260 0.3706 0.7768 0.9191 0.0618 -0.0317 0.0532 270 SER A CA ? ? 1 +3315 C CA B SER A 260 0.3912 0.7961 0.9388 0.0616 -0.0315 0.0534 270 SER A CA ? ? 1 +3316 C C A SER A 260 0.3537 0.7684 0.9096 0.0524 -0.0296 0.0531 270 SER A C ? ? 1 +3317 C C B SER A 260 0.3707 0.7857 0.9267 0.0526 -0.0297 0.0531 270 SER A C ? ? 1 +3318 O O A SER A 260 0.3430 0.7660 0.9070 0.0488 -0.0287 0.0507 270 SER A O ? ? 1 +3319 O O B SER A 260 0.3579 0.7828 0.9229 0.0495 -0.0292 0.0507 270 SER A O ? ? 1 +3320 C CB A SER A 260 0.3874 0.7756 0.9252 0.0617 -0.0294 0.0534 270 SER A CB ? ? 1 +3321 C CB B SER A 260 0.4103 0.7965 0.9467 0.0603 -0.0289 0.0540 270 SER A CB ? ? 1 +3322 O OG A SER A 260 0.3997 0.7739 0.9274 0.0575 -0.0272 0.0563 270 SER A OG ? ? 1 +3323 O OG B SER A 260 0.4200 0.7972 0.9504 0.0535 -0.0263 0.0564 270 SER A OG ? ? 1 +3324 N N A LEU A 261 0.3509 0.7635 0.9038 0.0489 -0.0290 0.0557 271 LEU A N ? ? 1 +3325 N N B LEU A 261 0.3667 0.7791 0.9195 0.0487 -0.0289 0.0557 271 LEU A N ? ? 1 +3326 C CA A LEU A 261 0.3355 0.7575 0.8960 0.0409 -0.0274 0.0556 271 LEU A CA ? ? 1 +3327 C CA B LEU A 261 0.3499 0.7722 0.9106 0.0408 -0.0274 0.0556 271 LEU A CA ? ? 1 +3328 C C A LEU A 261 0.3154 0.7564 0.8883 0.0419 -0.0297 0.0539 271 LEU A C ? ? 1 +3329 C C B LEU A 261 0.3266 0.7678 0.8997 0.0420 -0.0298 0.0538 271 LEU A C ? ? 1 +3330 O O A LEU A 261 0.3029 0.7535 0.8845 0.0372 -0.0288 0.0519 271 LEU A O ? ? 1 +3331 O O B LEU A 261 0.3130 0.7638 0.8948 0.0374 -0.0289 0.0519 271 LEU A O ? ? 1 +3332 C CB A LEU A 261 0.3411 0.7567 0.8952 0.0378 -0.0262 0.0587 271 LEU A CB ? ? 1 +3333 C CB B LEU A 261 0.3577 0.7739 0.9123 0.0378 -0.0263 0.0587 271 LEU A CB ? ? 1 +3334 C CG A LEU A 261 0.3275 0.7550 0.8901 0.0312 -0.0254 0.0589 271 LEU A CG ? ? 1 +3335 C CG B LEU A 261 0.3467 0.7750 0.9097 0.0313 -0.0255 0.0588 271 LEU A CG ? ? 1 +3336 C CD1 A LEU A 261 0.3217 0.7509 0.8892 0.0233 -0.0226 0.0573 271 LEU A CD1 ? ? 1 +3337 C CD1 B LEU A 261 0.3406 0.7708 0.9087 0.0233 -0.0227 0.0573 271 LEU A CD1 ? ? 1 +3338 C CD2 A LEU A 261 0.3338 0.7552 0.8896 0.0297 -0.0244 0.0620 271 LEU A CD2 ? ? 1 +3339 C CD2 B LEU A 261 0.3556 0.7777 0.9118 0.0300 -0.0246 0.0619 271 LEU A CD2 ? ? 1 +3340 N N A HIS A 262 0.3123 0.7583 0.8858 0.0481 -0.0328 0.0545 272 HIS A N ? ? 1 +3341 N N B HIS A 262 0.3208 0.7671 0.8945 0.0482 -0.0328 0.0544 272 HIS A N ? ? 1 +3342 C CA A HIS A 262 0.2950 0.7585 0.8799 0.0493 -0.0350 0.0529 272 HIS A CA ? ? 1 +3343 C CA B HIS A 262 0.3014 0.7653 0.8866 0.0494 -0.0351 0.0528 272 HIS A CA ? ? 1 +3344 C C A HIS A 262 0.2870 0.7586 0.8795 0.0519 -0.0356 0.0497 272 HIS A C ? ? 1 +3345 C C B HIS A 262 0.2921 0.7639 0.8848 0.0521 -0.0356 0.0496 272 HIS A C ? ? 1 +3346 O O A HIS A 262 0.2725 0.7582 0.8754 0.0499 -0.0360 0.0479 272 HIS A O ? ? 1 +3347 O O B HIS A 262 0.2770 0.7628 0.8801 0.0500 -0.0359 0.0478 272 HIS A O ? ? 1 +3348 C CB A HIS A 262 0.2968 0.7630 0.8799 0.0553 -0.0384 0.0542 272 HIS A CB ? ? 1 +3349 C CB B HIS A 262 0.3023 0.7691 0.8859 0.0553 -0.0384 0.0541 272 HIS A CB ? ? 1 +3350 C CG A HIS A 262 0.2957 0.7606 0.8756 0.0517 -0.0380 0.0567 272 HIS A CG ? ? 1 +3351 C CG B HIS A 262 0.3004 0.7656 0.8806 0.0516 -0.0379 0.0566 272 HIS A CG ? ? 1 +3352 N ND1 A HIS A 262 0.3099 0.7601 0.8775 0.0528 -0.0373 0.0596 272 HIS A ND1 ? ? 1 +3353 N ND1 B HIS A 262 0.3143 0.7646 0.8821 0.0527 -0.0372 0.0595 272 HIS A ND1 ? ? 1 +3354 C CD2 A HIS A 262 0.2830 0.7591 0.8702 0.0472 -0.0379 0.0567 272 HIS A CD2 ? ? 1 +3355 C CD2 B HIS A 262 0.2876 0.7637 0.8749 0.0470 -0.0379 0.0567 272 HIS A CD2 ? ? 1 +3356 C CE1 A HIS A 262 0.3058 0.7589 0.8736 0.0490 -0.0368 0.0612 272 HIS A CE1 ? ? 1 +3357 C CE1 B HIS A 262 0.3106 0.7635 0.8785 0.0488 -0.0367 0.0612 272 HIS A CE1 ? ? 1 +3358 N NE2 A HIS A 262 0.2896 0.7582 0.8691 0.0456 -0.0372 0.0595 272 HIS A NE2 ? ? 1 +3359 N NE2 B HIS A 262 0.2943 0.7627 0.8738 0.0453 -0.0371 0.0595 272 HIS A NE2 ? ? 1 +3360 N N A PHE A 263 0.2964 0.7583 0.8831 0.0562 -0.0353 0.0490 273 PHE A N ? ? 1 +3361 N N B PHE A 263 0.3008 0.7629 0.8876 0.0564 -0.0354 0.0489 273 PHE A N ? ? 1 +3362 C CA A PHE A 263 0.2912 0.7589 0.8838 0.0581 -0.0351 0.0460 273 PHE A CA ? ? 1 +3363 C CA B PHE A 263 0.2951 0.7628 0.8877 0.0584 -0.0352 0.0459 273 PHE A CA ? ? 1 +3364 C C A PHE A 263 0.2818 0.7525 0.8791 0.0504 -0.0324 0.0446 273 PHE A C ? ? 1 +3365 C C B PHE A 263 0.2856 0.7561 0.8827 0.0507 -0.0324 0.0446 273 PHE A C ? ? 1 +3366 O O A PHE A 263 0.2695 0.7525 0.8761 0.0494 -0.0324 0.0424 273 PHE A O ? ? 1 +3367 O O B PHE A 263 0.2730 0.7554 0.8793 0.0497 -0.0324 0.0423 273 PHE A O ? ? 1 +3368 C CB A PHE A 263 0.3063 0.7612 0.8905 0.0641 -0.0351 0.0456 273 PHE A CB ? ? 1 +3369 C CB B PHE A 263 0.3101 0.7653 0.8945 0.0645 -0.0352 0.0455 273 PHE A CB ? ? 1 +3370 C CG A PHE A 263 0.3032 0.7624 0.8925 0.0651 -0.0341 0.0425 273 PHE A CG ? ? 1 +3371 C CG B PHE A 263 0.3071 0.7662 0.8963 0.0654 -0.0342 0.0424 273 PHE A CG ? ? 1 +3372 C CD1 A PHE A 263 0.2929 0.7670 0.8925 0.0685 -0.0355 0.0402 273 PHE A CD1 ? ? 1 +3373 C CD1 B PHE A 263 0.2966 0.7706 0.8962 0.0687 -0.0355 0.0401 273 PHE A CD1 ? ? 1 +3374 C CD2 A PHE A 263 0.3109 0.7590 0.8945 0.0624 -0.0317 0.0418 273 PHE A CD2 ? ? 1 +3375 C CD2 B PHE A 263 0.3149 0.7625 0.8981 0.0628 -0.0317 0.0418 273 PHE A CD2 ? ? 1 +3376 C CE1 A PHE A 263 0.2905 0.7681 0.8942 0.0694 -0.0342 0.0374 273 PHE A CE1 ? ? 1 +3377 C CE1 B PHE A 263 0.2943 0.7715 0.8979 0.0695 -0.0341 0.0373 273 PHE A CE1 ? ? 1 +3378 C CE2 A PHE A 263 0.3083 0.7599 0.8960 0.0635 -0.0307 0.0389 273 PHE A CE2 ? ? 1 +3379 C CE2 B PHE A 263 0.3127 0.7634 0.8997 0.0638 -0.0307 0.0389 273 PHE A CE2 ? ? 1 +3380 C CZ A PHE A 263 0.2983 0.7645 0.8958 0.0670 -0.0319 0.0368 273 PHE A CZ ? ? 1 +3381 C CZ B PHE A 263 0.3025 0.7679 0.8995 0.0671 -0.0318 0.0367 273 PHE A CZ ? ? 1 +3382 N N A PHE A 264 0.2881 0.7472 0.8785 0.0451 -0.0301 0.0459 274 PHE A N ? ? 1 +3383 N N B PHE A 264 0.2917 0.7507 0.8820 0.0453 -0.0301 0.0459 274 PHE A N ? ? 1 +3384 C CA A PHE A 264 0.2806 0.7419 0.8748 0.0374 -0.0278 0.0447 274 PHE A CA ? ? 1 +3385 C CA B PHE A 264 0.2845 0.7454 0.8784 0.0376 -0.0278 0.0447 274 PHE A CA ? ? 1 +3386 C C A PHE A 264 0.2631 0.7396 0.8674 0.0333 -0.0282 0.0444 274 PHE A C ? ? 1 +3387 C C B PHE A 264 0.2669 0.7430 0.8710 0.0333 -0.0282 0.0443 274 PHE A C ? ? 1 +3388 O O A PHE A 264 0.2534 0.7386 0.8649 0.0306 -0.0277 0.0423 274 PHE A O ? ? 1 +3389 O O B PHE A 264 0.2575 0.7416 0.8684 0.0304 -0.0275 0.0422 274 PHE A O ? ? 1 +3390 C CB A PHE A 264 0.2909 0.7383 0.8766 0.0320 -0.0255 0.0465 274 PHE A CB ? ? 1 +3391 C CB B PHE A 264 0.2950 0.7418 0.8804 0.0324 -0.0255 0.0464 274 PHE A CB ? ? 1 +3392 C CG A PHE A 264 0.2862 0.7346 0.8751 0.0241 -0.0234 0.0452 274 PHE A CG ? ? 1 +3393 C CG B PHE A 264 0.2900 0.7381 0.8788 0.0244 -0.0234 0.0451 274 PHE A CG ? ? 1 +3394 C CD1 A PHE A 264 0.2900 0.7341 0.8779 0.0235 -0.0224 0.0429 274 PHE A CD1 ? ? 1 +3395 C CD1 B PHE A 264 0.2931 0.7376 0.8813 0.0238 -0.0225 0.0427 274 PHE A CD1 ? ? 1 +3396 C CD2 A PHE A 264 0.2787 0.7321 0.8715 0.0175 -0.0224 0.0461 274 PHE A CD2 ? ? 1 +3397 C CD2 B PHE A 264 0.2826 0.7357 0.8751 0.0179 -0.0225 0.0461 274 PHE A CD2 ? ? 1 +3398 C CE1 A PHE A 264 0.2861 0.7310 0.8767 0.0163 -0.0209 0.0415 274 PHE A CE1 ? ? 1 +3399 C CE1 B PHE A 264 0.2890 0.7347 0.8801 0.0166 -0.0210 0.0413 274 PHE A CE1 ? ? 1 +3400 C CE2 A PHE A 264 0.2744 0.7291 0.8704 0.0106 -0.0208 0.0447 274 PHE A CE2 ? ? 1 +3401 C CE2 B PHE A 264 0.2780 0.7327 0.8739 0.0109 -0.0209 0.0447 274 PHE A CE2 ? ? 1 +3402 C CZ A PHE A 264 0.2781 0.7286 0.8730 0.0100 -0.0202 0.0424 274 PHE A CZ ? ? 1 +3403 C CZ B PHE A 264 0.2811 0.7321 0.8763 0.0103 -0.0203 0.0423 274 PHE A CZ ? ? 1 +3404 N N A LEU A 265 0.2597 0.7390 0.8641 0.0330 -0.0292 0.0465 275 LEU A N ? ? 1 +3405 N N B LEU A 265 0.2630 0.7425 0.8676 0.0332 -0.0292 0.0463 275 LEU A N ? ? 1 +3406 C CA A LEU A 265 0.2447 0.7377 0.8579 0.0295 -0.0297 0.0463 275 LEU A CA ? ? 1 +3407 C CA B LEU A 265 0.2482 0.7416 0.8618 0.0297 -0.0297 0.0461 275 LEU A CA ? ? 1 +3408 C C A LEU A 265 0.2341 0.7405 0.8565 0.0327 -0.0312 0.0439 275 LEU A C ? ? 1 +3409 C C B LEU A 265 0.2373 0.7442 0.8601 0.0328 -0.0312 0.0438 275 LEU A C ? ? 1 +3410 O O A LEU A 265 0.2223 0.7387 0.8524 0.0286 -0.0306 0.0427 275 LEU A O ? ? 1 +3411 O O B LEU A 265 0.2252 0.7420 0.8556 0.0288 -0.0306 0.0425 275 LEU A O ? ? 1 +3412 C CB A LEU A 265 0.2455 0.7387 0.8563 0.0305 -0.0309 0.0488 275 LEU A CB ? ? 1 +3413 C CB B LEU A 265 0.2494 0.7433 0.8608 0.0305 -0.0309 0.0486 275 LEU A CB ? ? 1 +3414 C CG A LEU A 265 0.2538 0.7358 0.8568 0.0261 -0.0289 0.0513 275 LEU A CG ? ? 1 +3415 C CG B LEU A 265 0.2588 0.7414 0.8622 0.0263 -0.0290 0.0512 275 LEU A CG ? ? 1 +3416 C CD1 A LEU A 265 0.2537 0.7374 0.8549 0.0271 -0.0301 0.0536 275 LEU A CD1 ? ? 1 +3417 C CD1 B LEU A 265 0.2585 0.7430 0.8603 0.0275 -0.0302 0.0533 275 LEU A CD1 ? ? 1 +3418 C CD2 A LEU A 265 0.2474 0.7312 0.8541 0.0179 -0.0264 0.0507 275 LEU A CD2 ? ? 1 +3419 C CD2 B LEU A 265 0.2537 0.7376 0.8605 0.0181 -0.0264 0.0506 275 LEU A CD2 ? ? 1 +3420 N N A ALA A 266 0.2387 0.7453 0.8603 0.0400 -0.0330 0.0433 276 ALA A N ? ? 1 +3421 N N B ALA A 266 0.2416 0.7488 0.8638 0.0401 -0.0330 0.0431 276 ALA A N ? ? 1 +3422 C CA A ALA A 266 0.2300 0.7491 0.8605 0.0432 -0.0341 0.0409 276 ALA A CA ? ? 1 +3423 C CA B ALA A 266 0.2330 0.7528 0.8641 0.0433 -0.0340 0.0407 276 ALA A CA ? ? 1 +3424 C C A ALA A 266 0.2277 0.7473 0.8606 0.0410 -0.0320 0.0386 276 ALA A C ? ? 1 +3425 C C B ALA A 266 0.2312 0.7512 0.8645 0.0413 -0.0320 0.0384 276 ALA A C ? ? 1 +3426 O O A ALA A 266 0.2167 0.7466 0.8573 0.0377 -0.0313 0.0372 276 ALA A O ? ? 1 +3427 O O B ALA A 266 0.2205 0.7510 0.8616 0.0383 -0.0313 0.0368 276 ALA A O ? ? 1 +3428 C CB A ALA A 266 0.2372 0.7557 0.8661 0.0518 -0.0364 0.0406 276 ALA A CB ? ? 1 +3429 C CB B ALA A 266 0.2397 0.7595 0.8696 0.0518 -0.0364 0.0403 276 ALA A CB ? ? 1 +3430 N N A ALA A 267 0.2387 0.7466 0.8644 0.0430 -0.0311 0.0383 277 ALA A N ? ? 1 +3431 N N B ALA A 267 0.2427 0.7504 0.8684 0.0429 -0.0310 0.0382 277 ALA A N ? ? 1 +3432 C CA A ALA A 267 0.2387 0.7459 0.8656 0.0425 -0.0294 0.0359 277 ALA A CA ? ? 1 +3433 C CA B ALA A 267 0.2435 0.7501 0.8700 0.0426 -0.0293 0.0358 277 ALA A CA ? ? 1 +3434 C C A ALA A 267 0.2298 0.7410 0.8604 0.0349 -0.0277 0.0351 277 ALA A C ? ? 1 +3435 C C B ALA A 267 0.2345 0.7444 0.8644 0.0351 -0.0275 0.0349 277 ALA A C ? ? 1 +3436 O O A ALA A 267 0.2215 0.7418 0.8587 0.0342 -0.0271 0.0330 277 ALA A O ? ? 1 +3437 O O B ALA A 267 0.2278 0.7451 0.8632 0.0346 -0.0268 0.0327 277 ALA A O ? ? 1 +3438 C CB A ALA A 267 0.2537 0.7455 0.8707 0.0449 -0.0286 0.0360 277 ALA A CB ? ? 1 +3439 C CB B ALA A 267 0.2594 0.7505 0.8759 0.0454 -0.0286 0.0360 277 ALA A CB ? ? 1 +3440 N N A TRP A 268 0.2317 0.7360 0.8581 0.0294 -0.0268 0.0366 278 TRP A N ? ? 1 +3441 N N B TRP A 268 0.2344 0.7388 0.8609 0.0294 -0.0268 0.0366 278 TRP A N ? ? 1 +3442 C CA A TRP A 268 0.2266 0.7316 0.8548 0.0226 -0.0253 0.0357 278 TRP A CA ? ? 1 +3443 C CA B TRP A 268 0.2287 0.7339 0.8571 0.0226 -0.0253 0.0356 278 TRP A CA ? ? 1 +3444 C C A TRP A 268 0.2114 0.7309 0.8491 0.0202 -0.0255 0.0345 278 TRP A C ? ? 1 +3445 C C B TRP A 268 0.2130 0.7325 0.8507 0.0202 -0.0255 0.0344 278 TRP A C ? ? 1 +3446 O O A TRP A 268 0.2082 0.7307 0.8485 0.0190 -0.0246 0.0324 278 TRP A O ? ? 1 +3447 O O B TRP A 268 0.2097 0.7322 0.8500 0.0189 -0.0246 0.0323 278 TRP A O ? ? 1 +3448 C CB A TRP A 268 0.2304 0.7283 0.8544 0.0170 -0.0245 0.0376 278 TRP A CB ? ? 1 +3449 C CB B TRP A 268 0.2330 0.7308 0.8570 0.0169 -0.0245 0.0375 278 TRP A CB ? ? 1 +3450 C CG A TRP A 268 0.2263 0.7255 0.8526 0.0102 -0.0233 0.0364 278 TRP A CG ? ? 1 +3451 C CG B TRP A 268 0.2292 0.7285 0.8556 0.0102 -0.0233 0.0362 278 TRP A CG ? ? 1 +3452 C CD1 A TRP A 268 0.2142 0.7245 0.8479 0.0063 -0.0234 0.0358 278 TRP A CD1 ? ? 1 +3453 C CD1 B TRP A 268 0.2174 0.7276 0.8511 0.0062 -0.0234 0.0357 278 TRP A CD1 ? ? 1 +3454 C CD2 A TRP A 268 0.2349 0.7242 0.8562 0.0069 -0.0220 0.0353 278 TRP A CD2 ? ? 1 +3455 C CD2 B TRP A 268 0.2383 0.7277 0.8597 0.0070 -0.0220 0.0351 278 TRP A CD2 ? ? 1 +3456 N NE1 A TRP A 268 0.2145 0.7225 0.8481 0.0009 -0.0225 0.0345 278 TRP A NE1 ? ? 1 +3457 N NE1 B TRP A 268 0.2179 0.7259 0.8515 0.0009 -0.0225 0.0344 278 TRP A NE1 ? ? 1 +3458 C CE2 A TRP A 268 0.2269 0.7222 0.8531 0.0009 -0.0217 0.0341 278 TRP A CE2 ? ? 1 +3459 C CE2 B TRP A 268 0.2308 0.7263 0.8571 0.0011 -0.0217 0.0339 278 TRP A CE2 ? ? 1 +3460 C CE3 A TRP A 268 0.2492 0.7245 0.8620 0.0083 -0.0212 0.0352 278 TRP A CE3 ? ? 1 +3461 C CE3 B TRP A 268 0.2528 0.7283 0.8657 0.0085 -0.0212 0.0349 278 TRP A CE3 ? ? 1 +3462 C CZ2 A TRP A 268 0.2321 0.7206 0.8554 -0.0036 -0.0208 0.0327 278 TRP A CZ2 ? ? 1 +3463 C CZ2 B TRP A 268 0.2359 0.7247 0.8594 -0.0034 -0.0208 0.0324 278 TRP A CZ2 ? ? 1 +3464 C CZ3 A TRP A 268 0.2544 0.7226 0.8642 0.0034 -0.0201 0.0338 278 TRP A CZ3 ? ? 1 +3465 C CZ3 B TRP A 268 0.2579 0.7264 0.8679 0.0038 -0.0201 0.0334 278 TRP A CZ3 ? ? 1 +3466 C CH2 A TRP A 268 0.2456 0.7208 0.8609 -0.0025 -0.0200 0.0325 278 TRP A CH2 ? ? 1 +3467 C CH2 B TRP A 268 0.2493 0.7248 0.8647 -0.0021 -0.0200 0.0321 278 TRP A CH2 ? ? 1 +3468 N N A PRO A 269 0.2026 0.7307 0.8451 0.0195 -0.0265 0.0357 279 PRO A N ? ? 1 +3469 N N B PRO A 269 0.2033 0.7318 0.8461 0.0196 -0.0265 0.0357 279 PRO A N ? ? 1 +3470 C CA A PRO A 269 0.1897 0.7309 0.8408 0.0174 -0.0266 0.0347 279 PRO A CA ? ? 1 +3471 C CA B PRO A 269 0.1903 0.7318 0.8416 0.0174 -0.0266 0.0346 279 PRO A CA ? ? 1 +3472 C C A PRO A 269 0.1866 0.7352 0.8425 0.0219 -0.0267 0.0326 279 PRO A C ? ? 1 +3473 C C B PRO A 269 0.1871 0.7361 0.8433 0.0221 -0.0267 0.0325 279 PRO A C ? ? 1 +3474 O O A PRO A 269 0.1800 0.7353 0.8406 0.0199 -0.0258 0.0310 279 PRO A O ? ? 1 +3475 O O B PRO A 269 0.1801 0.7364 0.8413 0.0201 -0.0258 0.0309 279 PRO A O ? ? 1 +3476 C CB A PRO A 269 0.1841 0.7307 0.8377 0.0165 -0.0278 0.0366 279 PRO A CB ? ? 1 +3477 C CB B PRO A 269 0.1847 0.7314 0.8385 0.0164 -0.0277 0.0366 279 PRO A CB ? ? 1 +3478 C CG A PRO A 269 0.1940 0.7323 0.8412 0.0205 -0.0288 0.0384 279 PRO A CG ? ? 1 +3479 C CG B PRO A 269 0.1944 0.7334 0.8421 0.0207 -0.0288 0.0382 279 PRO A CG ? ? 1 +3480 C CD A PRO A 269 0.2056 0.7308 0.8451 0.0206 -0.0276 0.0383 279 PRO A CD ? ? 1 +3481 C CD B PRO A 269 0.2062 0.7320 0.8461 0.0208 -0.0276 0.0381 279 PRO A CD ? ? 1 +3482 N N A VAL A 270 0.1920 0.7393 0.8466 0.0282 -0.0277 0.0326 280 VAL A N ? ? 1 +3483 N N B VAL A 270 0.1926 0.7401 0.8473 0.0283 -0.0277 0.0326 280 VAL A N ? ? 1 +3484 C CA A VAL A 270 0.1894 0.7446 0.8494 0.0328 -0.0277 0.0305 280 VAL A CA ? ? 1 +3485 C CA B VAL A 270 0.1902 0.7454 0.8502 0.0330 -0.0277 0.0305 280 VAL A CA ? ? 1 +3486 C C A VAL A 270 0.1930 0.7447 0.8513 0.0326 -0.0257 0.0284 280 VAL A C ? ? 1 +3487 C C B VAL A 270 0.1939 0.7455 0.8522 0.0328 -0.0257 0.0283 280 VAL A C ? ? 1 +3488 O O A VAL A 270 0.1866 0.7462 0.8503 0.0317 -0.0246 0.0266 280 VAL A O ? ? 1 +3489 O O B VAL A 270 0.1873 0.7470 0.8511 0.0317 -0.0246 0.0266 280 VAL A O ? ? 1 +3490 C CB A VAL A 270 0.1955 0.7500 0.8545 0.0400 -0.0296 0.0308 280 VAL A CB ? ? 1 +3491 C CB B VAL A 270 0.1965 0.7506 0.8552 0.0402 -0.0296 0.0308 280 VAL A CB ? ? 1 +3492 C CG1 A VAL A 270 0.1952 0.7557 0.8588 0.0451 -0.0291 0.0283 280 VAL A CG1 ? ? 1 +3493 C CG1 B VAL A 270 0.1957 0.7562 0.8593 0.0453 -0.0291 0.0283 280 VAL A CG1 ? ? 1 +3494 C CG2 A VAL A 270 0.1903 0.7514 0.8526 0.0404 -0.0317 0.0324 280 VAL A CG2 ? ? 1 +3495 C CG2 B VAL A 270 0.1915 0.7517 0.8532 0.0406 -0.0317 0.0325 280 VAL A CG2 ? ? 1 +3496 N N A VAL A 271 0.2044 0.7435 0.8547 0.0334 -0.0252 0.0285 281 VAL A N ? ? 1 +3497 N N B VAL A 271 0.2055 0.7446 0.8558 0.0335 -0.0252 0.0285 281 VAL A N ? ? 1 +3498 C CA A VAL A 271 0.2094 0.7437 0.8570 0.0333 -0.0235 0.0264 281 VAL A CA ? ? 1 +3499 C CA B VAL A 271 0.2107 0.7451 0.8584 0.0333 -0.0235 0.0264 281 VAL A CA ? ? 1 +3500 C C A VAL A 271 0.2022 0.7404 0.8524 0.0269 -0.0223 0.0256 281 VAL A C ? ? 1 +3501 C C B VAL A 271 0.2032 0.7412 0.8533 0.0269 -0.0223 0.0255 281 VAL A C ? ? 1 +3502 O O A VAL A 271 0.1998 0.7414 0.8520 0.0271 -0.0210 0.0235 281 VAL A O ? ? 1 +3503 O O B VAL A 271 0.2005 0.7421 0.8527 0.0270 -0.0210 0.0235 281 VAL A O ? ? 1 +3504 C CB A VAL A 271 0.2233 0.7423 0.8612 0.0342 -0.0232 0.0268 281 VAL A CB ? ? 1 +3505 C CB B VAL A 271 0.2254 0.7444 0.8633 0.0345 -0.0232 0.0267 281 VAL A CB ? ? 1 +3506 C CG1 A VAL A 271 0.2280 0.7415 0.8626 0.0328 -0.0215 0.0246 281 VAL A CG1 ? ? 1 +3507 C CG1 B VAL A 271 0.2311 0.7448 0.8658 0.0336 -0.0215 0.0244 281 VAL A CG1 ? ? 1 +3508 C CG2 A VAL A 271 0.2321 0.7467 0.8667 0.0416 -0.0243 0.0273 281 VAL A CG2 ? ? 1 +3509 C CG2 B VAL A 271 0.2340 0.7487 0.8687 0.0417 -0.0243 0.0273 281 VAL A CG2 ? ? 1 +3510 N N A GLY A 272 0.1993 0.7366 0.8491 0.0215 -0.0229 0.0272 282 GLY A N ? ? 1 +3511 N N B GLY A 272 0.2003 0.7374 0.8499 0.0215 -0.0229 0.0272 282 GLY A N ? ? 1 +3512 C CA A GLY A 272 0.1932 0.7337 0.8451 0.0156 -0.0222 0.0265 282 GLY A CA ? ? 1 +3513 C CA B GLY A 272 0.1938 0.7342 0.8456 0.0156 -0.0222 0.0265 282 GLY A CA ? ? 1 +3514 C C A GLY A 272 0.1827 0.7360 0.8423 0.0154 -0.0218 0.0255 282 GLY A C ? ? 1 +3515 C C B GLY A 272 0.1833 0.7364 0.8427 0.0154 -0.0218 0.0255 282 GLY A C ? ? 1 +3516 O O A GLY A 272 0.1809 0.7361 0.8413 0.0136 -0.0207 0.0238 282 GLY A O ? ? 1 +3517 O O B GLY A 272 0.1815 0.7365 0.8417 0.0137 -0.0207 0.0238 282 GLY A O ? ? 1 +3518 N N A VAL A 273 0.1771 0.7385 0.8419 0.0172 -0.0228 0.0266 283 VAL A N ? ? 1 +3519 N N B VAL A 273 0.1772 0.7385 0.8419 0.0172 -0.0228 0.0266 283 VAL A N ? ? 1 +3520 C CA A VAL A 273 0.1677 0.7410 0.8398 0.0170 -0.0223 0.0257 283 VAL A CA ? ? 1 +3521 C CA B VAL A 273 0.1678 0.7410 0.8398 0.0170 -0.0223 0.0257 283 VAL A CA ? ? 1 +3522 C C A VAL A 273 0.1695 0.7461 0.8437 0.0211 -0.0209 0.0235 283 VAL A C ? ? 1 +3523 C C B VAL A 273 0.1695 0.7461 0.8437 0.0211 -0.0209 0.0235 283 VAL A C ? ? 1 +3524 O O A VAL A 273 0.1636 0.7475 0.8422 0.0198 -0.0196 0.0223 283 VAL A O ? ? 1 +3525 O O B VAL A 273 0.1638 0.7477 0.8424 0.0198 -0.0196 0.0223 283 VAL A O ? ? 1 +3526 C CB A VAL A 273 0.1617 0.7423 0.8385 0.0178 -0.0239 0.0273 283 VAL A CB ? ? 1 +3527 C CB B VAL A 273 0.1615 0.7419 0.8382 0.0177 -0.0239 0.0273 283 VAL A CB ? ? 1 +3528 C CG1 A VAL A 273 0.1531 0.7458 0.8378 0.0187 -0.0234 0.0261 283 VAL A CG1 ? ? 1 +3529 C CG1 B VAL A 273 0.1525 0.7451 0.8371 0.0184 -0.0234 0.0262 283 VAL A CG1 ? ? 1 +3530 C CG2 A VAL A 273 0.1583 0.7376 0.8341 0.0128 -0.0247 0.0292 283 VAL A CG2 ? ? 1 +3531 C CG2 B VAL A 273 0.1583 0.7372 0.8339 0.0127 -0.0247 0.0292 283 VAL A CG2 ? ? 1 +3532 N N . TRP A 274 0.1783 0.7493 0.8492 0.0262 -0.0209 0.0230 284 TRP A N ? ? 1 +3533 C CA . TRP A 274 0.1817 0.7542 0.8537 0.0303 -0.0192 0.0207 284 TRP A CA ? ? 1 +3534 C CB . TRP A 274 0.1925 0.7575 0.8600 0.0363 -0.0197 0.0204 284 TRP A CB ? ? 1 +3535 C CG . TRP A 274 0.1920 0.7626 0.8636 0.0414 -0.0213 0.0209 284 TRP A CG ? ? 1 +3536 C CD1 . TRP A 274 0.1830 0.7660 0.8630 0.0418 -0.0219 0.0208 284 TRP A CD1 ? ? 1 +3537 N NE1 . TRP A 274 0.1860 0.7708 0.8676 0.0474 -0.0238 0.0211 284 TRP A NE1 ? ? 1 +3538 C CE2 . TRP A 274 0.1979 0.7710 0.8716 0.0509 -0.0243 0.0215 284 TRP A CE2 ? ? 1 +3539 C CZ2 . TRP A 274 0.2058 0.7752 0.8770 0.0572 -0.0263 0.0220 284 TRP A CZ2 ? ? 1 +3540 C CH2 . TRP A 274 0.2183 0.7741 0.8803 0.0595 -0.0263 0.0225 284 TRP A CH2 ? ? 1 +3541 C CZ3 . TRP A 274 0.2229 0.7692 0.8786 0.0554 -0.0244 0.0224 284 TRP A CZ3 ? ? 1 +3542 C CE3 . TRP A 274 0.2148 0.7652 0.8733 0.0492 -0.0227 0.0217 284 TRP A CE3 ? ? 1 +3543 C CD2 . TRP A 274 0.2020 0.7658 0.8694 0.0470 -0.0227 0.0214 284 TRP A CD2 ? ? 1 +3544 C C . TRP A 274 0.1837 0.7525 0.8525 0.0271 -0.0173 0.0192 284 TRP A C ? ? 1 +3545 O O . TRP A 274 0.1795 0.7545 0.8518 0.0272 -0.0155 0.0176 284 TRP A O ? ? 1 +3546 N N A PHE A 275 0.1898 0.7484 0.8518 0.0241 -0.0178 0.0197 285 PHE A N ? ? 1 +3547 N N B PHE A 275 0.1898 0.7484 0.8518 0.0241 -0.0178 0.0197 285 PHE A N ? ? 1 +3548 C CA A PHE A 275 0.1920 0.7465 0.8504 0.0207 -0.0166 0.0182 285 PHE A CA ? ? 1 +3549 C CA B PHE A 275 0.1920 0.7466 0.8504 0.0207 -0.0165 0.0182 285 PHE A CA ? ? 1 +3550 C C A PHE A 275 0.1798 0.7425 0.8426 0.0162 -0.0163 0.0182 285 PHE A C ? ? 1 +3551 C C B PHE A 275 0.1787 0.7415 0.8415 0.0162 -0.0162 0.0182 285 PHE A C ? ? 1 +3552 O O A PHE A 275 0.1795 0.7431 0.8416 0.0152 -0.0148 0.0165 285 PHE A O ? ? 1 +3553 O O B PHE A 275 0.1782 0.7420 0.8404 0.0152 -0.0147 0.0165 285 PHE A O ? ? 1 +3554 C CB A PHE A 275 0.2017 0.7444 0.8528 0.0178 -0.0175 0.0187 285 PHE A CB ? ? 1 +3555 C CB B PHE A 275 0.2026 0.7452 0.8536 0.0180 -0.0174 0.0186 285 PHE A CB ? ? 1 +3556 C CG A PHE A 275 0.2161 0.7484 0.8607 0.0219 -0.0170 0.0178 285 PHE A CG ? ? 1 +3557 C CG B PHE A 275 0.2176 0.7502 0.8624 0.0224 -0.0169 0.0177 285 PHE A CG ? ? 1 +3558 C CD1 A PHE A 275 0.2224 0.7528 0.8649 0.0249 -0.0153 0.0155 285 PHE A CD1 ? ? 1 +3559 C CD1 B PHE A 275 0.2243 0.7552 0.8671 0.0254 -0.0152 0.0154 285 PHE A CD1 ? ? 1 +3560 C CD2 A PHE A 275 0.2248 0.7488 0.8650 0.0231 -0.0181 0.0194 285 PHE A CD2 ? ? 1 +3561 C CD2 B PHE A 275 0.2267 0.7513 0.8673 0.0237 -0.0181 0.0193 285 PHE A CD2 ? ? 1 +3562 C CE1 A PHE A 275 0.2352 0.7557 0.8715 0.0290 -0.0149 0.0146 285 PHE A CE1 ? ? 1 +3563 C CE1 B PHE A 275 0.2375 0.7589 0.8745 0.0298 -0.0148 0.0146 285 PHE A CE1 ? ? 1 +3564 C CE2 A PHE A 275 0.2377 0.7514 0.8715 0.0271 -0.0177 0.0186 285 PHE A CE2 ? ? 1 +3565 C CE2 B PHE A 275 0.2401 0.7547 0.8744 0.0280 -0.0177 0.0186 285 PHE A CE2 ? ? 1 +3566 C CZ A PHE A 275 0.2429 0.7550 0.8749 0.0301 -0.0161 0.0162 285 PHE A CZ ? ? 1 +3567 C CZ B PHE A 275 0.2453 0.7585 0.8780 0.0312 -0.0161 0.0162 285 PHE A CZ ? ? 1 +3568 N N A ALA A 276 0.1703 0.7385 0.8371 0.0136 -0.0176 0.0200 286 ALA A N ? ? 1 +3569 N N B ALA A 276 0.1683 0.7366 0.8352 0.0136 -0.0176 0.0200 286 ALA A N ? ? 1 +3570 C CA A ALA A 276 0.1599 0.7361 0.8311 0.0098 -0.0174 0.0201 286 ALA A CA ? ? 1 +3571 C CA B ALA A 276 0.1576 0.7338 0.8289 0.0098 -0.0174 0.0201 286 ALA A CA ? ? 1 +3572 C C A ALA A 276 0.1547 0.7393 0.8308 0.0124 -0.0155 0.0188 286 ALA A C ? ? 1 +3573 C C B ALA A 276 0.1517 0.7365 0.8280 0.0123 -0.0155 0.0188 286 ALA A C ? ? 1 +3574 O O A ALA A 276 0.1528 0.7392 0.8287 0.0107 -0.0140 0.0175 286 ALA A O ? ? 1 +3575 O O B ALA A 276 0.1497 0.7363 0.8258 0.0106 -0.0140 0.0176 286 ALA A O ? ? 1 +3576 C CB A ALA A 276 0.1531 0.7337 0.8279 0.0074 -0.0190 0.0222 286 ALA A CB ? ? 1 +3577 C CB B ALA A 276 0.1510 0.7315 0.8257 0.0074 -0.0191 0.0223 286 ALA A CB ? ? 1 +3578 N N A ALA A 277 0.1527 0.7423 0.8331 0.0164 -0.0156 0.0189 287 ALA A N ? ? 1 +3579 N N B ALA A 277 0.1496 0.7393 0.8301 0.0165 -0.0156 0.0189 287 ALA A N ? ? 1 +3580 C CA A ALA A 277 0.1482 0.7465 0.8343 0.0189 -0.0136 0.0175 287 ALA A CA ? ? 1 +3581 C CA B ALA A 277 0.1450 0.7433 0.8311 0.0190 -0.0136 0.0175 287 ALA A CA ? ? 1 +3582 C C A ALA A 277 0.1532 0.7481 0.8361 0.0207 -0.0111 0.0153 287 ALA A C ? ? 1 +3583 C C B ALA A 277 0.1496 0.7445 0.8324 0.0207 -0.0111 0.0153 287 ALA A C ? ? 1 +3584 O O A ALA A 277 0.1496 0.7499 0.8351 0.0199 -0.0088 0.0141 287 ALA A O ? ? 1 +3585 O O B ALA A 277 0.1458 0.7461 0.8313 0.0199 -0.0088 0.0141 287 ALA A O ? ? 1 +3586 C CB A ALA A 277 0.1484 0.7511 0.8389 0.0237 -0.0145 0.0177 287 ALA A CB ? ? 1 +3587 C CB B ALA A 277 0.1450 0.7478 0.8355 0.0237 -0.0145 0.0177 287 ALA A CB ? ? 1 +3588 N N A LEU A 278 0.1619 0.7472 0.8385 0.0230 -0.0113 0.0148 288 LEU A N ? ? 1 +3589 N N B LEU A 278 0.1580 0.7432 0.8346 0.0229 -0.0113 0.0148 288 LEU A N ? ? 1 +3590 C CA A LEU A 278 0.1685 0.7496 0.8413 0.0251 -0.0089 0.0126 288 LEU A CA ? ? 1 +3591 C CA B LEU A 278 0.1646 0.7454 0.8372 0.0249 -0.0089 0.0126 288 LEU A CA ? ? 1 +3592 C C A LEU A 278 0.1679 0.7461 0.8367 0.0205 -0.0081 0.0120 288 LEU A C ? ? 1 +3593 C C B LEU A 278 0.1645 0.7420 0.8328 0.0204 -0.0082 0.0119 288 LEU A C ? ? 1 +3594 O O A LEU A 278 0.1697 0.7490 0.8376 0.0211 -0.0055 0.0102 288 LEU A O ? ? 1 +3595 O O B LEU A 278 0.1674 0.7447 0.8340 0.0213 -0.0057 0.0101 288 LEU A O ? ? 1 +3596 C CB A LEU A 278 0.1791 0.7500 0.8458 0.0287 -0.0095 0.0122 288 LEU A CB ? ? 1 +3597 C CB B LEU A 278 0.1751 0.7459 0.8417 0.0286 -0.0095 0.0122 288 LEU A CB ? ? 1 +3598 C CG A LEU A 278 0.1813 0.7551 0.8516 0.0346 -0.0099 0.0122 288 LEU A CG ? ? 1 +3599 C CG B LEU A 278 0.1771 0.7509 0.8473 0.0346 -0.0099 0.0122 288 LEU A CG ? ? 1 +3600 C CD1 A LEU A 278 0.1928 0.7552 0.8560 0.0382 -0.0105 0.0120 288 LEU A CD1 ? ? 1 +3601 C CD1 B LEU A 278 0.1886 0.7510 0.8518 0.0382 -0.0105 0.0120 288 LEU A CD1 ? ? 1 +3602 C CD2 A LEU A 278 0.1789 0.7619 0.8553 0.0380 -0.0073 0.0103 288 LEU A CD2 ? ? 1 +3603 C CD2 B LEU A 278 0.1744 0.7576 0.8509 0.0380 -0.0073 0.0104 288 LEU A CD2 ? ? 1 +3604 N N A GLY A 279 0.1655 0.7404 0.8320 0.0160 -0.0102 0.0133 289 GLY A N ? ? 1 +3605 N N B GLY A 279 0.1612 0.7361 0.8277 0.0158 -0.0103 0.0133 289 GLY A N ? ? 1 +3606 C CA A GLY A 279 0.1644 0.7372 0.8275 0.0117 -0.0102 0.0128 289 GLY A CA ? ? 1 +3607 C CA B GLY A 279 0.1602 0.7329 0.8232 0.0115 -0.0102 0.0128 289 GLY A CA ? ? 1 +3608 C C A GLY A 279 0.1574 0.7388 0.8246 0.0104 -0.0083 0.0124 289 GLY A C ? ? 1 +3609 C C B GLY A 279 0.1532 0.7345 0.8204 0.0103 -0.0083 0.0124 289 GLY A C ? ? 1 +3610 O O A GLY A 279 0.1601 0.7398 0.8240 0.0101 -0.0064 0.0109 289 GLY A O ? ? 1 +3611 O O B GLY A 279 0.1559 0.7356 0.8197 0.0101 -0.0064 0.0109 289 GLY A O ? ? 1 +3612 N N A ILE A 280 0.1489 0.7388 0.8229 0.0096 -0.0088 0.0138 290 ILE A N ? ? 1 +3613 N N B ILE A 280 0.1447 0.7345 0.8185 0.0096 -0.0088 0.0138 290 ILE A N ? ? 1 +3614 C CA A ILE A 280 0.1433 0.7415 0.8216 0.0084 -0.0069 0.0136 290 ILE A CA ? ? 1 +3615 C CA B ILE A 280 0.1390 0.7371 0.8172 0.0083 -0.0069 0.0136 290 ILE A CA ? ? 1 +3616 C C A ILE A 280 0.1473 0.7478 0.8267 0.0121 -0.0035 0.0117 290 ILE A C ? ? 1 +3617 C C B ILE A 280 0.1426 0.7434 0.8222 0.0120 -0.0035 0.0118 290 ILE A C ? ? 1 +3618 O O A ILE A 280 0.1480 0.7496 0.8260 0.0111 -0.0011 0.0107 290 ILE A O ? ? 1 +3619 O O B ILE A 280 0.1427 0.7453 0.8215 0.0109 -0.0011 0.0108 290 ILE A O ? ? 1 +3620 C CB A ILE A 280 0.1344 0.7410 0.8198 0.0074 -0.0081 0.0153 290 ILE A CB ? ? 1 +3621 C CB B ILE A 280 0.1302 0.7365 0.8154 0.0072 -0.0082 0.0153 290 ILE A CB ? ? 1 +3622 C CG1 A ILE A 280 0.1313 0.7356 0.8156 0.0038 -0.0111 0.0171 290 ILE A CG1 ? ? 1 +3623 C CG1 B ILE A 280 0.1274 0.7312 0.8112 0.0035 -0.0112 0.0171 290 ILE A CG1 ? ? 1 +3624 C CG2 A ILE A 280 0.1290 0.7436 0.8188 0.0060 -0.0059 0.0149 290 ILE A CG2 ? ? 1 +3625 C CG2 B ILE A 280 0.1246 0.7390 0.8143 0.0058 -0.0061 0.0150 290 ILE A CG2 ? ? 1 +3626 C CD1 A ILE A 280 0.1306 0.7323 0.8111 -0.0002 -0.0115 0.0171 290 ILE A CD1 ? ? 1 +3627 C CD1 B ILE A 280 0.1268 0.7280 0.8069 -0.0004 -0.0115 0.0170 290 ILE A CD1 ? ? 1 +3628 N N A SER A 281 0.1508 0.7518 0.8325 0.0166 -0.0034 0.0112 291 SER A N ? ? 1 +3629 N N B SER A 281 0.1463 0.7473 0.8279 0.0164 -0.0033 0.0112 291 SER A N ? ? 1 +3630 C CA A SER A 281 0.1541 0.7589 0.8384 0.0204 -0.0001 0.0094 291 SER A CA ? ? 1 +3631 C CA B SER A 281 0.1496 0.7544 0.8338 0.0203 -0.0001 0.0094 291 SER A CA ? ? 1 +3632 C C A SER A 281 0.1630 0.7604 0.8401 0.0214 0.0021 0.0075 291 SER A C ? ? 1 +3633 C C B SER A 281 0.1586 0.7559 0.8356 0.0213 0.0022 0.0075 291 SER A C ? ? 1 +3634 O O A SER A 281 0.1653 0.7659 0.8437 0.0233 0.0056 0.0059 291 SER A O ? ? 1 +3635 O O B SER A 281 0.1607 0.7614 0.8391 0.0232 0.0057 0.0059 291 SER A O ? ? 1 +3636 C CB A SER A 281 0.1558 0.7627 0.8440 0.0254 -0.0009 0.0092 291 SER A CB ? ? 1 +3637 C CB B SER A 281 0.1513 0.7583 0.8395 0.0253 -0.0009 0.0092 291 SER A CB ? ? 1 +3638 O OG A SER A 281 0.1479 0.7635 0.8437 0.0251 -0.0025 0.0104 291 SER A OG ? ? 1 +3639 O OG B SER A 281 0.1433 0.7588 0.8389 0.0248 -0.0026 0.0105 291 SER A OG ? ? 1 +3640 N N A THR A 282 0.1688 0.7561 0.8382 0.0201 0.0003 0.0076 292 THR A N ? ? 1 +3641 N N B THR A 282 0.1645 0.7516 0.8337 0.0202 0.0003 0.0076 292 THR A N ? ? 1 +3642 C CA A THR A 282 0.1782 0.7575 0.8400 0.0211 0.0020 0.0057 292 THR A CA ? ? 1 +3643 C CA B THR A 282 0.1737 0.7530 0.8354 0.0210 0.0021 0.0057 292 THR A CA ? ? 1 +3644 C C A THR A 282 0.1776 0.7552 0.8351 0.0168 0.0025 0.0055 292 THR A C ? ? 1 +3645 C C B THR A 282 0.1729 0.7505 0.8303 0.0168 0.0025 0.0055 292 THR A C ? ? 1 +3646 O O A THR A 282 0.1832 0.7576 0.8359 0.0176 0.0050 0.0039 292 THR A O ? ? 1 +3647 O O B THR A 282 0.1784 0.7531 0.8312 0.0175 0.0051 0.0039 292 THR A O ? ? 1 +3648 C CB A THR A 282 0.1869 0.7556 0.8423 0.0225 0.0000 0.0055 292 THR A CB ? ? 1 +3649 C CB B THR A 282 0.1826 0.7510 0.8377 0.0224 0.0001 0.0054 292 THR A CB ? ? 1 +3650 O OG1 A THR A 282 0.1849 0.7499 0.8386 0.0185 -0.0034 0.0071 292 THR A OG1 ? ? 1 +3651 O OG1 B THR A 282 0.1805 0.7454 0.8339 0.0184 -0.0033 0.0070 292 THR A OG1 ? ? 1 +3652 C CG2 A THR A 282 0.1897 0.7589 0.8480 0.0277 0.0001 0.0054 292 THR A CG2 ? ? 1 +3653 C CG2 B THR A 282 0.1858 0.7544 0.8434 0.0277 0.0003 0.0052 292 THR A CG2 ? ? 1 +3654 N N A MET A 283 0.1714 0.7509 0.8302 0.0127 -0.0001 0.0072 293 MET A N ? ? 1 +3655 N N B MET A 283 0.1668 0.7461 0.8254 0.0126 -0.0001 0.0072 293 MET A N ? ? 1 +3656 C CA A MET A 283 0.1703 0.7490 0.8256 0.0089 -0.0001 0.0072 293 MET A CA ? ? 1 +3657 C CA B MET A 283 0.1653 0.7442 0.8207 0.0088 -0.0001 0.0072 293 MET A CA ? ? 1 +3658 C C A MET A 283 0.1662 0.7528 0.8256 0.0090 0.0033 0.0070 293 MET A C ? ? 1 +3659 C C B MET A 283 0.1610 0.7479 0.8206 0.0089 0.0033 0.0071 293 MET A C ? ? 1 +3660 O O A MET A 283 0.1673 0.7527 0.8227 0.0071 0.0047 0.0065 293 MET A O ? ? 1 +3661 O O B MET A 283 0.1620 0.7478 0.8177 0.0070 0.0046 0.0066 293 MET A O ? ? 1 +3662 C CB A MET A 283 0.1646 0.7434 0.8208 0.0048 -0.0038 0.0090 293 MET A CB ? ? 1 +3663 C CB B MET A 283 0.1594 0.7385 0.8157 0.0047 -0.0038 0.0090 293 MET A CB ? ? 1 +3664 C CG A MET A 283 0.1710 0.7403 0.8204 0.0032 -0.0064 0.0084 293 MET A CG ? ? 1 +3665 C CG B MET A 283 0.1658 0.7354 0.8155 0.0032 -0.0064 0.0084 293 MET A CG ? ? 1 +3666 S SD A MET A 283 0.1655 0.7347 0.8164 -0.0014 -0.0106 0.0102 293 MET A SD ? ? 1 +3667 S SD B MET A 283 0.1601 0.7297 0.8114 -0.0014 -0.0106 0.0103 293 MET A SD ? ? 1 +3668 C CE A MET A 283 0.1617 0.7339 0.8186 0.0006 -0.0113 0.0119 293 MET A CE ? ? 1 +3669 C CE B MET A 283 0.1565 0.7290 0.8137 0.0007 -0.0113 0.0120 293 MET A CE ? ? 1 +3670 N N A ALA A 284 0.1619 0.7562 0.8290 0.0113 0.0047 0.0073 294 ALA A N ? ? 1 +3671 N N B ALA A 284 0.1570 0.7515 0.8242 0.0112 0.0047 0.0073 294 ALA A N ? ? 1 +3672 C CA A ALA A 284 0.1591 0.7613 0.8310 0.0116 0.0083 0.0068 294 ALA A CA ? ? 1 +3673 C CA B ALA A 284 0.1545 0.7566 0.8263 0.0117 0.0085 0.0067 294 ALA A CA ? ? 1 +3674 C C A ALA A 284 0.1674 0.7659 0.8342 0.0137 0.0123 0.0047 294 ALA A C ? ? 1 +3675 C C B ALA A 284 0.1627 0.7611 0.8294 0.0137 0.0124 0.0046 294 ALA A C ? ? 1 +3676 O O A ALA A 284 0.1666 0.7691 0.8345 0.0130 0.0159 0.0042 294 ALA A O ? ? 1 +3677 O O B ALA A 284 0.1622 0.7641 0.8294 0.0127 0.0158 0.0042 294 ALA A O ? ? 1 +3678 C CB A ALA A 284 0.1540 0.7649 0.8352 0.0140 0.0087 0.0071 294 ALA A CB ? ? 1 +3679 C CB B ALA A 284 0.1498 0.7606 0.8309 0.0143 0.0089 0.0069 294 ALA A CB ? ? 1 +3680 N N A PHE A 285 0.1760 0.7665 0.8370 0.0163 0.0119 0.0035 295 PHE A N ? ? 1 +3681 N N B PHE A 285 0.1714 0.7620 0.8324 0.0164 0.0121 0.0034 295 PHE A N ? ? 1 +3682 C CA A PHE A 285 0.1856 0.7710 0.8403 0.0183 0.0154 0.0014 295 PHE A CA ? ? 1 +3683 C CA B PHE A 285 0.1811 0.7665 0.8357 0.0184 0.0156 0.0013 295 PHE A CA ? ? 1 +3684 C C A PHE A 285 0.1925 0.7674 0.8368 0.0163 0.0134 0.0009 295 PHE A C ? ? 1 +3685 C C B PHE A 285 0.1880 0.7629 0.8322 0.0163 0.0136 0.0009 295 PHE A C ? ? 1 +3686 O O A PHE A 285 0.2010 0.7685 0.8384 0.0185 0.0147 -0.0008 295 PHE A O ? ? 1 +3687 O O B PHE A 285 0.1966 0.7641 0.8337 0.0184 0.0151 -0.0009 295 PHE A O ? ? 1 +3688 C CB A PHE A 285 0.1912 0.7762 0.8476 0.0236 0.0170 -0.0001 295 PHE A CB ? ? 1 +3689 C CB B PHE A 285 0.1868 0.7715 0.8429 0.0236 0.0171 -0.0002 295 PHE A CB ? ? 1 +3690 C CG A PHE A 285 0.1850 0.7810 0.8523 0.0258 0.0183 0.0001 295 PHE A CG ? ? 1 +3691 C CG B PHE A 285 0.1805 0.7761 0.8475 0.0258 0.0181 0.0002 295 PHE A CG ? ? 1 +3692 C CD1 A PHE A 285 0.1833 0.7873 0.8558 0.0261 0.0226 -0.0007 295 PHE A CD1 ? ? 1 +3693 C CD1 B PHE A 285 0.1780 0.7821 0.8507 0.0259 0.0222 -0.0005 295 PHE A CD1 ? ? 1 +3694 C CD2 A PHE A 285 0.1816 0.7799 0.8539 0.0273 0.0150 0.0012 295 PHE A CD2 ? ? 1 +3695 C CD2 B PHE A 285 0.1779 0.7751 0.8494 0.0275 0.0149 0.0011 295 PHE A CD2 ? ? 1 +3696 C CE1 A PHE A 285 0.1774 0.7920 0.8605 0.0280 0.0235 -0.0008 295 PHE A CE1 ? ? 1 +3697 C CE1 B PHE A 285 0.1720 0.7866 0.8553 0.0277 0.0229 -0.0006 295 PHE A CE1 ? ? 1 +3698 C CE2 A PHE A 285 0.1760 0.7845 0.8582 0.0295 0.0157 0.0013 295 PHE A CE2 ? ? 1 +3699 C CE2 B PHE A 285 0.1723 0.7796 0.8537 0.0297 0.0154 0.0012 295 PHE A CE2 ? ? 1 +3700 C CZ A PHE A 285 0.1737 0.7907 0.8616 0.0297 0.0198 0.0001 295 PHE A CZ ? ? 1 +3701 C CZ B PHE A 285 0.1692 0.7855 0.8567 0.0298 0.0193 0.0003 295 PHE A CZ ? ? 1 +3702 N N A ASN A 286 0.1885 0.7630 0.8321 0.0122 0.0101 0.0025 296 ASN A N ? ? 1 +3703 N N B ASN A 286 0.1842 0.7587 0.8277 0.0122 0.0102 0.0024 296 ASN A N ? ? 1 +3704 C CA A ASN A 286 0.1937 0.7603 0.8286 0.0096 0.0081 0.0020 296 ASN A CA ? ? 1 +3705 C CA B ASN A 286 0.1894 0.7560 0.8242 0.0096 0.0081 0.0020 296 ASN A CA ? ? 1 +3706 C C A ASN A 286 0.2030 0.7597 0.8310 0.0110 0.0063 0.0006 296 ASN A C ? ? 1 +3707 C C B ASN A 286 0.1987 0.7552 0.8266 0.0107 0.0061 0.0007 296 ASN A C ? ? 1 +3708 O O A ASN A 286 0.2113 0.7605 0.8307 0.0108 0.0065 -0.0009 296 ASN A O ? ? 1 +3709 O O B ASN A 286 0.2066 0.7558 0.8260 0.0101 0.0058 -0.0007 296 ASN A O ? ? 1 +3710 C CB A ASN A 286 0.1982 0.7637 0.8279 0.0093 0.0115 0.0011 296 ASN A CB ? ? 1 +3711 C CB B ASN A 286 0.1938 0.7591 0.8233 0.0093 0.0115 0.0011 296 ASN A CB ? ? 1 +3712 C CG A ASN A 286 0.1908 0.7648 0.8262 0.0077 0.0136 0.0024 296 ASN A CG ? ? 1 +3713 C CG B ASN A 286 0.1867 0.7606 0.8219 0.0077 0.0137 0.0023 296 ASN A CG ? ? 1 +3714 O OD1 A ASN A 286 0.1823 0.7618 0.8237 0.0054 0.0113 0.0041 296 ASN A OD1 ? ? 1 +3715 O OD1 B ASN A 286 0.1782 0.7577 0.8194 0.0054 0.0115 0.0041 296 ASN A OD1 ? ? 1 +3716 N ND2 A ASN A 286 0.1946 0.7698 0.8283 0.0087 0.0183 0.0015 296 ASN A ND2 ? ? 1 +3717 N ND2 B ASN A 286 0.1908 0.7658 0.8243 0.0088 0.0184 0.0014 296 ASN A ND2 ? ? 1 +3718 N N A LEU A 287 0.2025 0.7586 0.8338 0.0124 0.0045 0.0011 297 LEU A N ? ? 1 +3719 N N B LEU A 287 0.1988 0.7548 0.8300 0.0125 0.0046 0.0010 297 LEU A N ? ? 1 +3720 C CA A LEU A 287 0.2105 0.7569 0.8358 0.0126 0.0020 0.0002 297 LEU A CA ? ? 1 +3721 C CA B LEU A 287 0.2070 0.7533 0.8322 0.0126 0.0020 0.0002 297 LEU A CA ? ? 1 +3722 C C A LEU A 287 0.2050 0.7517 0.8324 0.0085 -0.0023 0.0019 297 LEU A C ? ? 1 +3723 C C B LEU A 287 0.2016 0.7484 0.8290 0.0085 -0.0022 0.0019 297 LEU A C ? ? 1 +3724 O O A LEU A 287 0.2004 0.7502 0.8333 0.0087 -0.0036 0.0034 297 LEU A O ? ? 1 +3725 O O B LEU A 287 0.1964 0.7469 0.8297 0.0087 -0.0035 0.0035 297 LEU A O ? ? 1 +3726 C CB A LEU A 287 0.2150 0.7592 0.8415 0.0170 0.0030 -0.0004 297 LEU A CB ? ? 1 +3727 C CB B LEU A 287 0.2115 0.7556 0.8379 0.0171 0.0031 -0.0005 297 LEU A CB ? ? 1 +3728 C CG A LEU A 287 0.2247 0.7577 0.8441 0.0174 0.0009 -0.0015 297 LEU A CG ? ? 1 +3729 C CG B LEU A 287 0.2213 0.7540 0.8405 0.0175 0.0010 -0.0016 297 LEU A CG ? ? 1 +3730 C CD1 A LEU A 287 0.2343 0.7591 0.8441 0.0171 0.0017 -0.0038 297 LEU A CD1 ? ? 1 +3731 C CD1 B LEU A 287 0.2310 0.7555 0.8406 0.0172 0.0018 -0.0039 297 LEU A CD1 ? ? 1 +3732 C CD2 A LEU A 287 0.2290 0.7599 0.8498 0.0223 0.0020 -0.0019 297 LEU A CD2 ? ? 1 +3733 C CD2 B LEU A 287 0.2255 0.7563 0.8461 0.0223 0.0020 -0.0019 297 LEU A CD2 ? ? 1 +3734 N N A ASN A 288 0.2061 0.7499 0.8289 0.0050 -0.0042 0.0015 298 ASN A N ? ? 1 +3735 N N B ASN A 288 0.2036 0.7468 0.8261 0.0051 -0.0043 0.0015 298 ASN A N ? ? 1 +3736 C CA A ASN A 288 0.1991 0.7457 0.8251 0.0009 -0.0077 0.0031 298 ASN A CA ? ? 1 +3737 C CA B ASN A 288 0.1970 0.7431 0.8226 0.0009 -0.0077 0.0030 298 ASN A CA ? ? 1 +3738 C C A ASN A 288 0.2021 0.7418 0.8255 -0.0012 -0.0111 0.0028 298 ASN A C ? ? 1 +3739 C C B ASN A 288 0.1999 0.7391 0.8229 -0.0012 -0.0112 0.0027 298 ASN A C ? ? 1 +3740 O O A ASN A 288 0.2099 0.7421 0.8289 0.0006 -0.0109 0.0015 298 ASN A O ? ? 1 +3741 O O B ASN A 288 0.2080 0.7394 0.8261 0.0004 -0.0111 0.0012 298 ASN A O ? ? 1 +3742 C CB A ASN A 288 0.1978 0.7462 0.8214 -0.0017 -0.0081 0.0031 298 ASN A CB ? ? 1 +3743 C CB B ASN A 288 0.1960 0.7437 0.8190 -0.0016 -0.0081 0.0029 298 ASN A CB ? ? 1 +3744 C CG A ASN A 288 0.1939 0.7494 0.8206 -0.0005 -0.0047 0.0037 298 ASN A CG ? ? 1 +3745 C CG B ASN A 288 0.1934 0.7475 0.8188 -0.0001 -0.0044 0.0033 298 ASN A CG ? ? 1 +3746 O OD1 A ASN A 288 0.1859 0.7493 0.8203 -0.0003 -0.0038 0.0053 298 ASN A OD1 ? ? 1 +3747 O OD1 B ASN A 288 0.1875 0.7485 0.8200 0.0013 -0.0026 0.0045 298 ASN A OD1 ? ? 1 +3748 N ND2 A ASN A 288 0.2002 0.7527 0.8208 0.0002 -0.0026 0.0024 298 ASN A ND2 ? ? 1 +3749 N ND2 B ASN A 288 0.1987 0.7503 0.8181 -0.0003 -0.0032 0.0022 298 ASN A ND2 ? ? 1 +3750 N N A GLY A 289 0.1960 0.7383 0.8222 -0.0050 -0.0140 0.0040 299 GLY A N ? ? 1 +3751 N N B GLY A 289 0.1935 0.7359 0.8200 -0.0049 -0.0140 0.0041 299 GLY A N ? ? 1 +3752 C CA A GLY A 289 0.1983 0.7353 0.8232 -0.0077 -0.0171 0.0038 299 GLY A CA ? ? 1 +3753 C CA B GLY A 289 0.1961 0.7330 0.8212 -0.0076 -0.0171 0.0039 299 GLY A CA ? ? 1 +3754 C C A GLY A 289 0.2075 0.7355 0.8242 -0.0089 -0.0186 0.0013 299 GLY A C ? ? 1 +3755 C C B GLY A 289 0.2052 0.7333 0.8222 -0.0089 -0.0186 0.0014 299 GLY A C ? ? 1 +3756 O O A GLY A 289 0.2109 0.7374 0.8228 -0.0082 -0.0179 -0.0002 299 GLY A O ? ? 1 +3757 O O B GLY A 289 0.2080 0.7351 0.8204 -0.0084 -0.0180 0.0000 299 GLY A O ? ? 1 +3758 N N A PHE A 290 0.2121 0.7338 0.8272 -0.0107 -0.0206 0.0007 300 PHE A N ? ? 1 +3759 N N B PHE A 290 0.2106 0.7322 0.8256 -0.0106 -0.0206 0.0007 300 PHE A N ? ? 1 +3760 C CA A PHE A 290 0.2213 0.7347 0.8294 -0.0126 -0.0227 -0.0019 300 PHE A CA ? ? 1 +3761 C CA B PHE A 290 0.2200 0.7334 0.8280 -0.0126 -0.0226 -0.0019 300 PHE A CA ? ? 1 +3762 C C A PHE A 290 0.2184 0.7348 0.8252 -0.0152 -0.0248 -0.0027 300 PHE A C ? ? 1 +3763 C C B PHE A 290 0.2172 0.7336 0.8240 -0.0152 -0.0247 -0.0027 300 PHE A C ? ? 1 +3764 O O A PHE A 290 0.2093 0.7328 0.8216 -0.0176 -0.0262 -0.0012 300 PHE A O ? ? 1 +3765 O O B PHE A 290 0.2078 0.7312 0.8201 -0.0176 -0.0262 -0.0012 300 PHE A O ? ? 1 +3766 C CB A PHE A 290 0.2247 0.7329 0.8331 -0.0158 -0.0250 -0.0020 300 PHE A CB ? ? 1 +3767 C CB B PHE A 290 0.2238 0.7318 0.8320 -0.0157 -0.0249 -0.0021 300 PHE A CB ? ? 1 +3768 C CG A PHE A 290 0.2312 0.7328 0.8377 -0.0131 -0.0233 -0.0019 300 PHE A CG ? ? 1 +3769 C CG B PHE A 290 0.2307 0.7319 0.8368 -0.0130 -0.0233 -0.0020 300 PHE A CG ? ? 1 +3770 C CD1 A PHE A 290 0.2413 0.7351 0.8408 -0.0098 -0.0217 -0.0039 300 PHE A CD1 ? ? 1 +3771 C CD1 B PHE A 290 0.2410 0.7345 0.8402 -0.0098 -0.0217 -0.0040 300 PHE A CD1 ? ? 1 +3772 C CD2 A PHE A 290 0.2280 0.7307 0.8391 -0.0137 -0.0233 0.0003 300 PHE A CD2 ? ? 1 +3773 C CD2 B PHE A 290 0.2277 0.7299 0.8384 -0.0136 -0.0233 0.0002 300 PHE A CD2 ? ? 1 +3774 C CE1 A PHE A 290 0.2478 0.7352 0.8453 -0.0069 -0.0202 -0.0037 300 PHE A CE1 ? ? 1 +3775 C CE1 B PHE A 290 0.2477 0.7346 0.8447 -0.0069 -0.0202 -0.0039 300 PHE A CE1 ? ? 1 +3776 C CE2 A PHE A 290 0.2347 0.7306 0.8433 -0.0109 -0.0219 0.0005 300 PHE A CE2 ? ? 1 +3777 C CE2 B PHE A 290 0.2347 0.7300 0.8428 -0.0107 -0.0219 0.0003 300 PHE A CE2 ? ? 1 +3778 C CZ A PHE A 290 0.2444 0.7328 0.8464 -0.0074 -0.0204 -0.0015 300 PHE A CZ ? ? 1 +3779 C CZ B PHE A 290 0.2446 0.7323 0.8460 -0.0073 -0.0204 -0.0017 300 PHE A CZ ? ? 1 +3780 N N A ASN A 291 0.2268 0.7374 0.8258 -0.0143 -0.0249 -0.0052 301 ASN A N ? ? 1 +3781 N N B ASN A 291 0.2257 0.7362 0.8247 -0.0143 -0.0249 -0.0052 301 ASN A N ? ? 1 +3782 C CA A ASN A 291 0.2275 0.7391 0.8235 -0.0162 -0.0272 -0.0063 301 ASN A CA ? ? 1 +3783 C CA B ASN A 291 0.2268 0.7384 0.8227 -0.0162 -0.0271 -0.0063 301 ASN A CA ? ? 1 +3784 C C A ASN A 291 0.2366 0.7404 0.8270 -0.0188 -0.0306 -0.0091 301 ASN A C ? ? 1 +3785 C C B ASN A 291 0.2361 0.7399 0.8265 -0.0188 -0.0306 -0.0091 301 ASN A C ? ? 1 +3786 O O A ASN A 291 0.2468 0.7423 0.8295 -0.0171 -0.0300 -0.0114 301 ASN A O ? ? 1 +3787 O O B ASN A 291 0.2463 0.7418 0.8290 -0.0171 -0.0300 -0.0114 301 ASN A O ? ? 1 +3788 C CB A ASN A 291 0.2302 0.7418 0.8211 -0.0130 -0.0245 -0.0068 301 ASN A CB ? ? 1 +3789 C CB B ASN A 291 0.2296 0.7411 0.8204 -0.0130 -0.0244 -0.0068 301 ASN A CB ? ? 1 +3790 C CG A ASN A 291 0.2322 0.7440 0.8189 -0.0146 -0.0270 -0.0079 301 ASN A CG ? ? 1 +3791 C CG B ASN A 291 0.2320 0.7434 0.8183 -0.0146 -0.0270 -0.0080 301 ASN A CG ? ? 1 +3792 O OD1 A ASN A 291 0.2340 0.7443 0.8202 -0.0178 -0.0311 -0.0091 301 ASN A OD1 ? ? 1 +3793 O OD1 B ASN A 291 0.2342 0.7439 0.8197 -0.0176 -0.0310 -0.0093 301 ASN A OD1 ? ? 1 +3794 N ND2 A ASN A 291 0.2327 0.7460 0.8160 -0.0125 -0.0247 -0.0077 301 ASN A ND2 ? ? 1 +3795 N ND2 B ASN A 291 0.2322 0.7454 0.8154 -0.0125 -0.0247 -0.0077 301 ASN A ND2 ? ? 1 +3796 N N . PHE A 292 0.2329 0.7395 0.8274 -0.0229 -0.0341 -0.0091 302 PHE A N ? ? 1 +3797 C CA . PHE A 292 0.2411 0.7418 0.8316 -0.0260 -0.0378 -0.0120 302 PHE A CA ? ? 1 +3798 C CB . PHE A 292 0.2401 0.7402 0.8360 -0.0297 -0.0393 -0.0116 302 PHE A CB ? ? 1 +3799 C CG . PHE A 292 0.2432 0.7386 0.8391 -0.0278 -0.0363 -0.0105 302 PHE A CG ? ? 1 +3800 C CD1 . PHE A 292 0.2549 0.7405 0.8432 -0.0255 -0.0350 -0.0125 302 PHE A CD1 ? ? 1 +3801 C CD2 . PHE A 292 0.2353 0.7358 0.8384 -0.0279 -0.0348 -0.0076 302 PHE A CD2 ? ? 1 +3802 C CE1 . PHE A 292 0.2575 0.7386 0.8456 -0.0231 -0.0323 -0.0114 302 PHE A CE1 ? ? 1 +3803 C CE2 . PHE A 292 0.2384 0.7343 0.8411 -0.0257 -0.0323 -0.0066 302 PHE A CE2 ? ? 1 +3804 C CZ . PHE A 292 0.2494 0.7357 0.8446 -0.0233 -0.0311 -0.0085 302 PHE A CZ ? ? 1 +3805 C C . PHE A 292 0.2403 0.7446 0.8298 -0.0277 -0.0412 -0.0131 302 PHE A C ? ? 1 +3806 O O . PHE A 292 0.2426 0.7468 0.8334 -0.0313 -0.0451 -0.0147 302 PHE A O ? ? 1 +3807 N N A ASN A 293 0.2381 0.7455 0.8251 -0.0250 -0.0397 -0.0123 303 ASN A N ? ? 1 +3808 N N B ASN A 293 0.2380 0.7455 0.8251 -0.0250 -0.0397 -0.0122 303 ASN A N ? ? 1 +3809 C CA A ASN A 293 0.2376 0.7478 0.8225 -0.0258 -0.0427 -0.0131 303 ASN A CA ? ? 1 +3810 C CA B ASN A 293 0.2377 0.7479 0.8226 -0.0258 -0.0427 -0.0131 303 ASN A CA ? ? 1 +3811 C C A ASN A 293 0.2497 0.7516 0.8253 -0.0261 -0.0456 -0.0167 303 ASN A C ? ? 1 +3812 C C B ASN A 293 0.2498 0.7518 0.8254 -0.0261 -0.0456 -0.0167 303 ASN A C ? ? 1 +3813 O O A ASN A 293 0.2583 0.7535 0.8258 -0.0232 -0.0435 -0.0179 303 ASN A O ? ? 1 +3814 O O B ASN A 293 0.2586 0.7538 0.8262 -0.0232 -0.0435 -0.0179 303 ASN A O ? ? 1 +3815 C CB A ASN A 293 0.2332 0.7477 0.8171 -0.0228 -0.0398 -0.0111 303 ASN A CB ? ? 1 +3816 C CB B ASN A 293 0.2334 0.7478 0.8172 -0.0229 -0.0399 -0.0111 303 ASN A CB ? ? 1 +3817 C CG A ASN A 293 0.2214 0.7443 0.8145 -0.0228 -0.0374 -0.0078 303 ASN A CG ? ? 1 +3818 C CG B ASN A 293 0.2216 0.7445 0.8146 -0.0228 -0.0375 -0.0078 303 ASN A CG ? ? 1 +3819 O OD1 A ASN A 293 0.2152 0.7420 0.8157 -0.0252 -0.0386 -0.0067 303 ASN A OD1 ? ? 1 +3820 O OD1 B ASN A 293 0.2153 0.7422 0.8158 -0.0253 -0.0387 -0.0067 303 ASN A OD1 ? ? 1 +3821 N ND2 A ASN A 293 0.2186 0.7443 0.8111 -0.0201 -0.0338 -0.0061 303 ASN A ND2 ? ? 1 +3822 N ND2 B ASN A 293 0.2188 0.7446 0.8113 -0.0201 -0.0339 -0.0061 303 ASN A ND2 ? ? 1 +3823 N N . HIS A 294 0.2501 0.7531 0.8273 -0.0295 -0.0505 -0.0185 304 HIS A N ? ? 1 +3824 C CA . HIS A 294 0.2607 0.7565 0.8301 -0.0304 -0.0542 -0.0223 304 HIS A CA ? ? 1 +3825 C CB . HIS A 294 0.2656 0.7582 0.8252 -0.0272 -0.0546 -0.0234 304 HIS A CB ? ? 1 +3826 C CG . HIS A 294 0.2574 0.7571 0.8187 -0.0266 -0.0558 -0.0218 304 HIS A CG ? ? 1 +3827 N ND1 . HIS A 294 0.2634 0.7597 0.8154 -0.0243 -0.0571 -0.0231 304 HIS A ND1 ? ? 1 +3828 C CE1 . HIS A 294 0.2555 0.7590 0.8112 -0.0241 -0.0578 -0.0210 304 HIS A CE1 ? ? 1 +3829 N NE2 . HIS A 294 0.2439 0.7552 0.8107 -0.0261 -0.0570 -0.0187 304 HIS A NE2 ? ? 1 +3830 C CD2 . HIS A 294 0.2449 0.7539 0.8153 -0.0277 -0.0558 -0.0192 304 HIS A CD2 ? ? 1 +3831 C C . HIS A 294 0.2711 0.7575 0.8362 -0.0306 -0.0532 -0.0244 304 HIS A C ? ? 1 +3832 O O . HIS A 294 0.2830 0.7613 0.8388 -0.0296 -0.0545 -0.0273 304 HIS A O ? ? 1 +3833 N N . SER A 295 0.2684 0.7553 0.8397 -0.0319 -0.0511 -0.0228 305 SER A N ? ? 1 +3834 C CA . SER A 295 0.2786 0.7562 0.8461 -0.0323 -0.0503 -0.0245 305 SER A CA ? ? 1 +3835 C CB . SER A 295 0.2725 0.7517 0.8467 -0.0324 -0.0469 -0.0218 305 SER A CB ? ? 1 +3836 O OG . SER A 295 0.2713 0.7499 0.8434 -0.0277 -0.0423 -0.0199 305 SER A OG ? ? 1 +3837 C C . SER A 295 0.2871 0.7602 0.8534 -0.0367 -0.0548 -0.0280 305 SER A C ? ? 1 +3838 O O . SER A 295 0.2988 0.7621 0.8578 -0.0365 -0.0551 -0.0307 305 SER A O ? ? 1 +3839 N N . VAL A 296 0.2824 0.7627 0.8560 -0.0406 -0.0583 -0.0281 306 VAL A N ? ? 1 +3840 C CA . VAL A 296 0.2905 0.7680 0.8641 -0.0450 -0.0629 -0.0317 306 VAL A CA ? ? 1 +3841 C CB . VAL A 296 0.2820 0.7666 0.8668 -0.0498 -0.0640 -0.0306 306 VAL A CB ? ? 1 +3842 C CG1 . VAL A 296 0.2895 0.7710 0.8749 -0.0548 -0.0683 -0.0345 306 VAL A CG1 ? ? 1 +3843 C CG2 . VAL A 296 0.2775 0.7610 0.8664 -0.0496 -0.0595 -0.0275 306 VAL A CG2 ? ? 1 +3844 C C . VAL A 296 0.2971 0.7755 0.8658 -0.0447 -0.0673 -0.0344 306 VAL A C ? ? 1 +3845 O O . VAL A 296 0.2895 0.7757 0.8609 -0.0437 -0.0685 -0.0330 306 VAL A O ? ? 1 +3846 N N . ILE A 297 0.3133 0.7829 0.8741 -0.0455 -0.0700 -0.0384 307 ILE A N ? ? 1 +3847 C CA . ILE A 297 0.3228 0.7906 0.8764 -0.0448 -0.0745 -0.0415 307 ILE A CA ? ? 1 +3848 C CB . ILE A 297 0.3341 0.7924 0.8751 -0.0399 -0.0718 -0.0422 307 ILE A CB ? ? 1 +3849 C CG1 . ILE A 297 0.3278 0.7896 0.8684 -0.0354 -0.0669 -0.0383 307 ILE A CG1 ? ? 1 +3850 C CG2 . ILE A 297 0.3455 0.7991 0.8768 -0.0389 -0.0761 -0.0457 307 ILE A CG2 ? ? 1 +3851 C CD1 . ILE A 297 0.3206 0.7914 0.8638 -0.0345 -0.0689 -0.0368 307 ILE A CD1 ? ? 1 +3852 C C . ILE A 297 0.3316 0.7964 0.8861 -0.0497 -0.0794 -0.0458 307 ILE A C ? ? 1 +3853 O O . ILE A 297 0.3382 0.7964 0.8925 -0.0520 -0.0781 -0.0468 307 ILE A O ? ? 1 +3854 N N . ASP A 298 0.3345 0.8034 0.8894 -0.0512 -0.0851 -0.0484 308 ASP A N ? ? 1 +3855 C CA . ASP A 298 0.3438 0.8105 0.9002 -0.0561 -0.0900 -0.0528 308 ASP A CA ? ? 1 +3856 C CB . ASP A 298 0.3389 0.8164 0.9033 -0.0587 -0.0955 -0.0542 308 ASP A CB ? ? 1 +3857 C CG . ASP A 298 0.3448 0.8234 0.9023 -0.0556 -0.1002 -0.0561 308 ASP A CG ? ? 1 +3858 O OD1 . ASP A 298 0.3547 0.8255 0.9005 -0.0514 -0.0990 -0.0563 308 ASP A OD1 ? ? 1 +3859 O OD2 . ASP A 298 0.3432 0.8302 0.9069 -0.0574 -0.1050 -0.0575 308 ASP A OD2 ? ? 1 +3860 C C . ASP A 298 0.3601 0.8151 0.9033 -0.0545 -0.0921 -0.0568 308 ASP A C ? ? 1 +3861 O O . ASP A 298 0.3644 0.8131 0.8979 -0.0498 -0.0891 -0.0558 308 ASP A O ? ? 1 +3862 N N . ALA A 299 0.3683 0.8209 0.9114 -0.0587 -0.0973 -0.0614 309 ALA A N ? ? 1 +3863 C CA . ALA A 299 0.3846 0.8254 0.9155 -0.0580 -0.0996 -0.0656 309 ALA A CA ? ? 1 +3864 C CB . ALA A 299 0.3920 0.8321 0.9266 -0.0640 -0.1050 -0.0704 309 ALA A CB ? ? 1 +3865 C C . ALA A 299 0.3909 0.8296 0.9108 -0.0530 -0.1020 -0.0666 309 ALA A C ? ? 1 +3866 O O . ALA A 299 0.4027 0.8305 0.9102 -0.0502 -0.1012 -0.0684 309 ALA A O ? ? 1 +3867 N N . LYS A 300 0.3848 0.8333 0.9089 -0.0520 -0.1049 -0.0656 310 LYS A N ? ? 1 +3868 C CA . LYS A 300 0.3912 0.8382 0.9052 -0.0473 -0.1072 -0.0662 310 LYS A CA ? ? 1 +3869 C CB . LYS A 300 0.3865 0.8448 0.9073 -0.0479 -0.1125 -0.0665 310 LYS A CB ? ? 1 +3870 C CG . LYS A 300 0.3958 0.8517 0.9052 -0.0431 -0.1156 -0.0673 310 LYS A CG ? ? 1 +3871 C CD . LYS A 300 0.3911 0.8578 0.9068 -0.0429 -0.1204 -0.0671 310 LYS A CD ? ? 1 +3872 C CE . LYS A 300 0.4015 0.8642 0.9043 -0.0379 -0.1237 -0.0681 310 LYS A CE ? ? 1 +3873 N NZ . LYS A 300 0.3990 0.8714 0.9074 -0.0380 -0.1301 -0.0692 310 LYS A NZ ? ? 1 +3874 C C . LYS A 300 0.3865 0.8315 0.8950 -0.0419 -0.1007 -0.0618 310 LYS A C ? ? 1 +3875 O O . LYS A 300 0.3960 0.8344 0.8923 -0.0376 -0.1004 -0.0624 310 LYS A O ? ? 1 +3876 N N . GLY A 301 0.3732 0.8242 0.8910 -0.0422 -0.0957 -0.0575 311 GLY A N ? ? 1 +3877 C CA . GLY A 301 0.3666 0.8183 0.8820 -0.0377 -0.0897 -0.0532 311 GLY A CA ? ? 1 +3878 C C . GLY A 301 0.3511 0.8149 0.8762 -0.0374 -0.0889 -0.0494 311 GLY A C ? ? 1 +3879 O O . GLY A 301 0.3469 0.8121 0.8706 -0.0338 -0.0842 -0.0458 311 GLY A O ? ? 1 +3880 N N . ASN A 302 0.3433 0.8158 0.8784 -0.0410 -0.0933 -0.0502 312 ASN A N ? ? 1 +3881 C CA . ASN A 302 0.3288 0.8127 0.8737 -0.0411 -0.0926 -0.0467 312 ASN A CA ? ? 1 +3882 C CB . ASN A 302 0.3245 0.8172 0.8795 -0.0452 -0.0982 -0.0486 312 ASN A CB ? ? 1 +3883 C CG . ASN A 302 0.3339 0.8257 0.8833 -0.0449 -0.1052 -0.0527 312 ASN A CG ? ? 1 +3884 O OD1 . ASN A 302 0.3357 0.8285 0.8793 -0.0412 -0.1070 -0.0522 312 ASN A OD1 ? ? 1 +3885 N ND2 . ASN A 302 0.3418 0.8313 0.8924 -0.0488 -0.1094 -0.0570 312 ASN A ND2 ? ? 1 +3886 C C . ASN A 302 0.3179 0.8044 0.8704 -0.0416 -0.0864 -0.0428 312 ASN A C ? ? 1 +3887 O O . ASN A 302 0.3203 0.8021 0.8740 -0.0437 -0.0843 -0.0434 312 ASN A O ? ? 1 +3888 N N . VAL A 303 0.3065 0.8005 0.8638 -0.0397 -0.0837 -0.0389 313 VAL A N ? ? 1 +3889 C CA . VAL A 303 0.2968 0.7943 0.8617 -0.0401 -0.0784 -0.0352 313 VAL A CA ? ? 1 +3890 C CB . VAL A 303 0.2892 0.7904 0.8536 -0.0362 -0.0742 -0.0312 313 VAL A CB ? ? 1 +3891 C CG1 . VAL A 303 0.2778 0.7842 0.8515 -0.0369 -0.0696 -0.0276 313 VAL A CG1 ? ? 1 +3892 C CG2 . VAL A 303 0.2980 0.7906 0.8500 -0.0319 -0.0714 -0.0315 313 VAL A CG2 ? ? 1 +3893 C C . VAL A 303 0.2887 0.7946 0.8663 -0.0447 -0.0804 -0.0350 313 VAL A C ? ? 1 +3894 O O . VAL A 303 0.2853 0.7989 0.8677 -0.0455 -0.0839 -0.0351 313 VAL A O ? ? 1 +3895 N N . ILE A 304 0.2884 0.7924 0.8708 -0.0476 -0.0781 -0.0347 314 ILE A N ? ? 1 +3896 C CA . ILE A 304 0.2810 0.7923 0.8753 -0.0519 -0.0787 -0.0339 314 ILE A CA ? ? 1 +3897 C CB . ILE A 304 0.2881 0.7938 0.8840 -0.0564 -0.0795 -0.0365 314 ILE A CB ? ? 1 +3898 C CG1 . ILE A 304 0.3005 0.8003 0.8897 -0.0577 -0.0844 -0.0414 314 ILE A CG1 ? ? 1 +3899 C CG2 . ILE A 304 0.2807 0.7941 0.8888 -0.0612 -0.0798 -0.0357 314 ILE A CG2 ? ? 1 +3900 C CD1 . ILE A 304 0.2995 0.8069 0.8916 -0.0585 -0.0901 -0.0435 314 ILE A CD1 ? ? 1 +3901 C C . ILE A 304 0.2696 0.7854 0.8696 -0.0505 -0.0735 -0.0292 314 ILE A C ? ? 1 +3902 O O . ILE A 304 0.2716 0.7819 0.8700 -0.0499 -0.0695 -0.0280 314 ILE A O ? ? 1 +3903 N N . ASN A 305 0.2592 0.7844 0.8655 -0.0500 -0.0737 -0.0269 315 ASN A N ? ? 1 +3904 C CA . ASN A 305 0.2493 0.7789 0.8604 -0.0485 -0.0690 -0.0226 315 ASN A CA ? ? 1 +3905 C CB . ASN A 305 0.2415 0.7812 0.8584 -0.0477 -0.0700 -0.0206 315 ASN A CB ? ? 1 +3906 C CG . ASN A 305 0.2447 0.7837 0.8542 -0.0436 -0.0704 -0.0203 315 ASN A CG ? ? 1 +3907 O OD1 . ASN A 305 0.2526 0.7853 0.8543 -0.0404 -0.0676 -0.0198 315 ASN A OD1 ? ? 1 +3908 N ND2 . ASN A 305 0.2418 0.7869 0.8534 -0.0433 -0.0738 -0.0206 315 ASN A ND2 ? ? 1 +3909 C C . ASN A 305 0.2433 0.7732 0.8615 -0.0517 -0.0667 -0.0214 315 ASN A C ? ? 1 +3910 O O . ASN A 305 0.2453 0.7768 0.8689 -0.0560 -0.0690 -0.0232 315 ASN A O ? ? 1 +3911 N N . THR A 306 0.2354 0.7639 0.8536 -0.0495 -0.0619 -0.0184 316 THR A N ? ? 1 +3912 C CA . THR A 306 0.2286 0.7582 0.8534 -0.0517 -0.0593 -0.0163 316 THR A CA ? ? 1 +3913 C CB . THR A 306 0.2344 0.7547 0.8541 -0.0504 -0.0562 -0.0162 316 THR A CB ? ? 1 +3914 O OG1 . THR A 306 0.2314 0.7508 0.8470 -0.0454 -0.0528 -0.0141 316 THR A OG1 ? ? 1 +3915 C CG2 . THR A 306 0.2464 0.7576 0.8593 -0.0519 -0.0585 -0.0201 316 THR A CG2 ? ? 1 +3916 C C . THR A 306 0.2157 0.7539 0.8465 -0.0500 -0.0571 -0.0126 316 THR A C ? ? 1 +3917 O O . THR A 306 0.2120 0.7546 0.8418 -0.0476 -0.0577 -0.0119 316 THR A O ? ? 1 +3918 N N . TRP A 307 0.2098 0.7499 0.8464 -0.0514 -0.0546 -0.0103 317 TRP A N ? ? 1 +3919 C CA . TRP A 307 0.1989 0.7461 0.8407 -0.0498 -0.0522 -0.0068 317 TRP A CA ? ? 1 +3920 C CB . TRP A 307 0.1955 0.7431 0.8430 -0.0521 -0.0500 -0.0048 317 TRP A CB ? ? 1 +3921 C CG . TRP A 307 0.1926 0.7452 0.8472 -0.0568 -0.0521 -0.0056 317 TRP A CG ? ? 1 +3922 C CD1 . TRP A 307 0.1981 0.7469 0.8543 -0.0610 -0.0528 -0.0073 317 TRP A CD1 ? ? 1 +3923 N NE1 . TRP A 307 0.1932 0.7493 0.8571 -0.0646 -0.0545 -0.0076 317 TRP A NE1 ? ? 1 +3924 C CE2 . TRP A 307 0.1846 0.7493 0.8518 -0.0625 -0.0551 -0.0061 317 TRP A CE2 ? ? 1 +3925 C CZ2 . TRP A 307 0.1775 0.7516 0.8523 -0.0644 -0.0566 -0.0059 317 TRP A CZ2 ? ? 1 +3926 C CH2 . TRP A 307 0.1702 0.7507 0.8461 -0.0613 -0.0569 -0.0042 317 TRP A CH2 ? ? 1 +3927 C CZ3 . TRP A 307 0.1696 0.7475 0.8394 -0.0568 -0.0554 -0.0028 317 TRP A CZ3 ? ? 1 +3928 C CE3 . TRP A 307 0.1761 0.7454 0.8390 -0.0550 -0.0537 -0.0031 317 TRP A CE3 ? ? 1 +3929 C CD2 . TRP A 307 0.1837 0.7462 0.8451 -0.0577 -0.0536 -0.0048 317 TRP A CD2 ? ? 1 +3930 C C . TRP A 307 0.1976 0.7434 0.8347 -0.0450 -0.0493 -0.0050 317 TRP A C ? ? 1 +3931 O O . TRP A 307 0.1906 0.7429 0.8308 -0.0432 -0.0481 -0.0028 317 TRP A O ? ? 1 +3932 N N . ALA A 308 0.2048 0.7424 0.8347 -0.0428 -0.0480 -0.0063 318 ALA A N ? ? 1 +3933 C CA . ALA A 308 0.2037 0.7400 0.8292 -0.0383 -0.0450 -0.0051 318 ALA A CA ? ? 1 +3934 C CB . ALA A 308 0.2132 0.7398 0.8313 -0.0364 -0.0434 -0.0066 318 ALA A CB ? ? 1 +3935 C C . ALA A 308 0.2030 0.7423 0.8252 -0.0366 -0.0463 -0.0056 318 ALA A C ? ? 1 +3936 O O . ALA A 308 0.1994 0.7420 0.8215 -0.0338 -0.0439 -0.0037 318 ALA A O ? ? 1 +3937 N N . ASP A 309 0.2077 0.7458 0.8273 -0.0384 -0.0502 -0.0083 319 ASP A N ? ? 1 +3938 C CA . ASP A 309 0.2079 0.7481 0.8237 -0.0368 -0.0519 -0.0088 319 ASP A CA ? ? 1 +3939 C CB . ASP A 309 0.2175 0.7535 0.8281 -0.0382 -0.0564 -0.0125 319 ASP A CB ? ? 1 +3940 C CG . ASP A 309 0.2293 0.7552 0.8317 -0.0373 -0.0559 -0.0149 319 ASP A CG ? ? 1 +3941 O OD1 . ASP A 309 0.2337 0.7553 0.8288 -0.0338 -0.0535 -0.0148 319 ASP A OD1 ? ? 1 +3942 O OD2 . ASP A 309 0.2351 0.7574 0.8383 -0.0402 -0.0576 -0.0169 319 ASP A OD2 ? ? 1 +3943 C C . ASP A 309 0.1967 0.7464 0.8194 -0.0373 -0.0525 -0.0066 319 ASP A C ? ? 1 +3944 O O . ASP A 309 0.1943 0.7462 0.8144 -0.0349 -0.0520 -0.0057 319 ASP A O ? ? 1 +3945 N N . ILE A 310 0.1898 0.7446 0.8208 -0.0403 -0.0534 -0.0058 320 ILE A N ? ? 1 +3946 C CA . ILE A 310 0.1796 0.7432 0.8175 -0.0407 -0.0535 -0.0036 320 ILE A CA ? ? 1 +3947 C CB . ILE A 310 0.1755 0.7437 0.8217 -0.0447 -0.0552 -0.0037 320 ILE A CB ? ? 1 +3948 C CG1 . ILE A 310 0.1819 0.7485 0.8278 -0.0476 -0.0596 -0.0072 320 ILE A CG1 ? ? 1 +3949 C CG2 . ILE A 310 0.1658 0.7429 0.8185 -0.0447 -0.0552 -0.0015 320 ILE A CG2 ? ? 1 +3950 C CD1 . ILE A 310 0.1848 0.7525 0.8267 -0.0464 -0.0632 -0.0091 320 ILE A CD1 ? ? 1 +3951 C C . ILE A 310 0.1727 0.7388 0.8122 -0.0383 -0.0493 -0.0004 320 ILE A C ? ? 1 +3952 O O . ILE A 310 0.1672 0.7382 0.8078 -0.0369 -0.0489 0.0012 320 ILE A O ? ? 1 +3953 N N A ILE A 311 0.1737 0.7364 0.8133 -0.0377 -0.0463 0.0005 321 ILE A N ? ? 1 +3954 N N B ILE A 311 0.1734 0.7361 0.8131 -0.0377 -0.0463 0.0005 321 ILE A N ? ? 1 +3955 C CA A ILE A 311 0.1691 0.7336 0.8097 -0.0350 -0.0424 0.0031 321 ILE A CA ? ? 1 +3956 C CA B ILE A 311 0.1685 0.7330 0.8091 -0.0350 -0.0424 0.0031 321 ILE A CA ? ? 1 +3957 C C A ILE A 311 0.1716 0.7348 0.8062 -0.0318 -0.0411 0.0029 321 ILE A C ? ? 1 +3958 C C B ILE A 311 0.1707 0.7339 0.8053 -0.0318 -0.0411 0.0029 321 ILE A C ? ? 1 +3959 O O A ILE A 311 0.1659 0.7336 0.8024 -0.0303 -0.0390 0.0049 321 ILE A O ? ? 1 +3960 O O B ILE A 311 0.1649 0.7325 0.8014 -0.0303 -0.0390 0.0049 321 ILE A O ? ? 1 +3961 C CB A ILE A 311 0.1722 0.7318 0.8123 -0.0342 -0.0399 0.0034 321 ILE A CB ? ? 1 +3962 C CB B ILE A 311 0.1715 0.7313 0.8118 -0.0343 -0.0399 0.0034 321 ILE A CB ? ? 1 +3963 C CG1 A ILE A 311 0.1693 0.7303 0.8154 -0.0371 -0.0404 0.0043 321 ILE A CG1 ? ? 1 +3964 C CG1 B ILE A 311 0.1686 0.7298 0.8149 -0.0372 -0.0404 0.0043 321 ILE A CG1 ? ? 1 +3965 C CG2 A ILE A 311 0.1692 0.7302 0.8093 -0.0307 -0.0361 0.0053 321 ILE A CG2 ? ? 1 +3966 C CG2 B ILE A 311 0.1684 0.7296 0.8088 -0.0308 -0.0361 0.0054 321 ILE A CG2 ? ? 1 +3967 C CD1 A ILE A 311 0.1744 0.7290 0.8187 -0.0364 -0.0384 0.0043 321 ILE A CD1 ? ? 1 +3968 C CD1 B ILE A 311 0.1737 0.7285 0.8183 -0.0365 -0.0384 0.0044 321 ILE A CD1 ? ? 1 +3969 N N A ASN A 312 0.1809 0.7376 0.8079 -0.0311 -0.0422 0.0005 322 ASN A N ? ? 1 +3970 N N B ASN A 312 0.1798 0.7365 0.8068 -0.0311 -0.0422 0.0005 322 ASN A N ? ? 1 +3971 C CA A ASN A 312 0.1851 0.7394 0.8052 -0.0282 -0.0406 0.0002 322 ASN A CA ? ? 1 +3972 C CA B ASN A 312 0.1837 0.7379 0.8037 -0.0281 -0.0406 0.0002 322 ASN A CA ? ? 1 +3973 C C A ASN A 312 0.1816 0.7408 0.8020 -0.0281 -0.0420 0.0010 322 ASN A C ? ? 1 +3974 C C B ASN A 312 0.1801 0.7391 0.8002 -0.0280 -0.0420 0.0010 322 ASN A C ? ? 1 +3975 O O A ASN A 312 0.1798 0.7407 0.7989 -0.0261 -0.0393 0.0026 322 ASN A O ? ? 1 +3976 O O B ASN A 312 0.1788 0.7391 0.7972 -0.0259 -0.0393 0.0024 322 ASN A O ? ? 1 +3977 C CB A ASN A 312 0.1964 0.7422 0.8076 -0.0274 -0.0418 -0.0028 322 ASN A CB ? ? 1 +3978 C CB B ASN A 312 0.1951 0.7408 0.8063 -0.0274 -0.0418 -0.0028 322 ASN A CB ? ? 1 +3979 C CG A ASN A 312 0.2017 0.7440 0.8054 -0.0241 -0.0390 -0.0029 322 ASN A CG ? ? 1 +3980 C CG B ASN A 312 0.2007 0.7426 0.8046 -0.0241 -0.0387 -0.0029 322 ASN A CG ? ? 1 +3981 O OD1 A ASN A 312 0.1978 0.7431 0.8034 -0.0223 -0.0352 -0.0009 322 ASN A OD1 ? ? 1 +3982 O OD1 B ASN A 312 0.1987 0.7419 0.8042 -0.0221 -0.0345 -0.0013 322 ASN A OD1 ? ? 1 +3983 N ND2 A ASN A 312 0.2114 0.7474 0.8065 -0.0234 -0.0407 -0.0053 322 ASN A ND2 ? ? 1 +3984 N ND2 B ASN A 312 0.2088 0.7459 0.8044 -0.0232 -0.0403 -0.0048 322 ASN A ND2 ? ? 1 +3985 N N A ARG A 313 0.1813 0.7426 0.8035 -0.0302 -0.0463 -0.0001 323 ARG A N ? ? 1 +3986 N N B ARG A 313 0.1790 0.7403 0.8012 -0.0302 -0.0462 0.0000 323 ARG A N ? ? 1 +3987 C CA A ARG A 313 0.1783 0.7440 0.8007 -0.0299 -0.0482 0.0006 323 ARG A CA ? ? 1 +3988 C CA B ARG A 313 0.1756 0.7414 0.7981 -0.0299 -0.0481 0.0006 323 ARG A CA ? ? 1 +3989 C C A ARG A 313 0.1688 0.7410 0.7972 -0.0295 -0.0455 0.0037 323 ARG A C ? ? 1 +3990 C C B ARG A 313 0.1657 0.7380 0.7942 -0.0295 -0.0454 0.0037 323 ARG A C ? ? 1 +3991 O O A ARG A 313 0.1678 0.7414 0.7937 -0.0280 -0.0447 0.0048 323 ARG A O ? ? 1 +3992 O O B ARG A 313 0.1647 0.7384 0.7908 -0.0280 -0.0445 0.0048 323 ARG A O ? ? 1 +3993 C CB A ARG A 313 0.1778 0.7467 0.8039 -0.0325 -0.0531 -0.0010 323 ARG A CB ? ? 1 +3994 C CB B ARG A 313 0.1750 0.7439 0.8012 -0.0325 -0.0531 -0.0009 323 ARG A CB ? ? 1 +3995 C CG A ARG A 313 0.1874 0.7507 0.8078 -0.0332 -0.0568 -0.0044 323 ARG A CG ? ? 1 +3996 C CG B ARG A 313 0.1845 0.7480 0.8051 -0.0332 -0.0568 -0.0043 323 ARG A CG ? ? 1 +3997 C CD A ARG A 313 0.1956 0.7536 0.8057 -0.0304 -0.0574 -0.0055 323 ARG A CD ? ? 1 +3998 C CD B ARG A 313 0.1928 0.7509 0.8030 -0.0304 -0.0574 -0.0055 323 ARG A CD ? ? 1 +3999 N NE A ARG A 313 0.1930 0.7549 0.8024 -0.0290 -0.0586 -0.0043 323 ARG A NE ? ? 1 +4000 N NE B ARG A 313 0.1903 0.7521 0.7996 -0.0289 -0.0586 -0.0043 323 ARG A NE ? ? 1 +4001 C CZ A ARG A 313 0.2001 0.7578 0.8004 -0.0263 -0.0589 -0.0047 323 ARG A CZ ? ? 1 +4002 C CZ B ARG A 313 0.1975 0.7549 0.7975 -0.0262 -0.0585 -0.0046 323 ARG A CZ ? ? 1 +4003 N NH1 A ARG A 313 0.2102 0.7599 0.8012 -0.0248 -0.0581 -0.0063 323 ARG A NH1 ? ? 1 +4004 N NH1 B ARG A 313 0.2074 0.7569 0.7984 -0.0247 -0.0577 -0.0062 323 ARG A NH1 ? ? 1 +4005 N NH2 A ARG A 313 0.1978 0.7586 0.7976 -0.0251 -0.0597 -0.0033 323 ARG A NH2 ? ? 1 +4006 N NH2 B ARG A 313 0.1950 0.7555 0.7945 -0.0249 -0.0590 -0.0031 323 ARG A NH2 ? ? 1 +4007 N N A ALA A 314 0.1628 0.7386 0.7987 -0.0310 -0.0442 0.0050 324 ALA A N ? ? 1 +4008 N N B ALA A 314 0.1593 0.7353 0.7954 -0.0311 -0.0443 0.0051 324 ALA A N ? ? 1 +4009 C CA A ALA A 314 0.1545 0.7364 0.7963 -0.0308 -0.0419 0.0078 324 ALA A CA ? ? 1 +4010 C CA B ALA A 314 0.1508 0.7328 0.7927 -0.0308 -0.0419 0.0078 324 ALA A CA ? ? 1 +4011 C C A ALA A 314 0.1554 0.7359 0.7945 -0.0283 -0.0376 0.0090 324 ALA A C ? ? 1 +4012 C C B ALA A 314 0.1516 0.7321 0.7907 -0.0283 -0.0376 0.0090 324 ALA A C ? ? 1 +4013 O O A ALA A 314 0.1514 0.7353 0.7915 -0.0273 -0.0358 0.0106 324 ALA A O ? ? 1 +4014 O O B ALA A 314 0.1479 0.7317 0.7878 -0.0273 -0.0359 0.0106 324 ALA A O ? ? 1 +4015 C CB A ALA A 314 0.1488 0.7341 0.7983 -0.0329 -0.0419 0.0087 324 ALA A CB ? ? 1 +4016 C CB B ALA A 314 0.1454 0.7306 0.7950 -0.0329 -0.0418 0.0088 324 ALA A CB ? ? 1 +4017 N N A ASN A 315 0.1611 0.7365 0.7970 -0.0272 -0.0358 0.0080 325 ASN A N ? ? 1 +4018 N N B ASN A 315 0.1568 0.7322 0.7928 -0.0272 -0.0358 0.0080 325 ASN A N ? ? 1 +4019 C CA A ASN A 315 0.1625 0.7366 0.7961 -0.0247 -0.0317 0.0086 325 ASN A CA ? ? 1 +4020 C CA B ASN A 315 0.1581 0.7322 0.7916 -0.0247 -0.0317 0.0087 325 ASN A CA ? ? 1 +4021 C C A ASN A 315 0.1672 0.7396 0.7943 -0.0232 -0.0307 0.0084 325 ASN A C ? ? 1 +4022 C C B ASN A 315 0.1624 0.7348 0.7894 -0.0232 -0.0307 0.0084 325 ASN A C ? ? 1 +4023 O O A ASN A 315 0.1649 0.7393 0.7923 -0.0219 -0.0273 0.0097 325 ASN A O ? ? 1 +4024 O O B ASN A 315 0.1597 0.7344 0.7874 -0.0219 -0.0274 0.0098 325 ASN A O ? ? 1 +4025 C CB A ASN A 315 0.1687 0.7369 0.7990 -0.0235 -0.0304 0.0072 325 ASN A CB ? ? 1 +4026 C CB B ASN A 315 0.1643 0.7324 0.7945 -0.0235 -0.0304 0.0072 325 ASN A CB ? ? 1 +4027 C CG A ASN A 315 0.1650 0.7345 0.8012 -0.0243 -0.0300 0.0080 325 ASN A CG ? ? 1 +4028 C CG B ASN A 315 0.1607 0.7298 0.7965 -0.0243 -0.0301 0.0078 325 ASN A CG ? ? 1 +4029 O OD1 A ASN A 315 0.1570 0.7322 0.7999 -0.0252 -0.0299 0.0099 325 ASN A OD1 ? ? 1 +4030 O OD1 B ASN A 315 0.1529 0.7276 0.7955 -0.0253 -0.0301 0.0097 325 ASN A OD1 ? ? 1 +4031 N ND2 A ASN A 315 0.1715 0.7350 0.8048 -0.0237 -0.0298 0.0065 325 ASN A ND2 ? ? 1 +4032 N ND2 B ASN A 315 0.1676 0.7307 0.8003 -0.0237 -0.0298 0.0064 325 ASN A ND2 ? ? 1 +4033 N N A LEU A 316 0.1744 0.7429 0.7955 -0.0235 -0.0338 0.0067 326 LEU A N ? ? 1 +4034 N N B LEU A 316 0.1695 0.7379 0.7904 -0.0234 -0.0337 0.0067 326 LEU A N ? ? 1 +4035 C CA A LEU A 316 0.1805 0.7459 0.7938 -0.0219 -0.0333 0.0064 326 LEU A CA ? ? 1 +4036 C CA B LEU A 316 0.1753 0.7407 0.7885 -0.0218 -0.0332 0.0064 326 LEU A CA ? ? 1 +4037 C C A LEU A 316 0.1755 0.7462 0.7917 -0.0221 -0.0330 0.0085 326 LEU A C ? ? 1 +4038 C C B LEU A 316 0.1699 0.7407 0.7861 -0.0221 -0.0330 0.0085 326 LEU A C ? ? 1 +4039 O O A LEU A 316 0.1774 0.7472 0.7899 -0.0208 -0.0300 0.0094 326 LEU A O ? ? 1 +4040 O O B LEU A 316 0.1724 0.7421 0.7846 -0.0208 -0.0302 0.0094 326 LEU A O ? ? 1 +4041 C CB A LEU A 316 0.1888 0.7490 0.7950 -0.0220 -0.0374 0.0040 326 LEU A CB ? ? 1 +4042 C CB B LEU A 316 0.1836 0.7437 0.7897 -0.0220 -0.0374 0.0040 326 LEU A CB ? ? 1 +4043 C CG A LEU A 316 0.1982 0.7508 0.7977 -0.0210 -0.0371 0.0016 326 LEU A CG ? ? 1 +4044 C CG B LEU A 316 0.1929 0.7455 0.7924 -0.0210 -0.0371 0.0016 326 LEU A CG ? ? 1 +4045 C CD1 A LEU A 316 0.2054 0.7540 0.7997 -0.0217 -0.0420 -0.0009 326 LEU A CD1 ? ? 1 +4046 C CD1 B LEU A 316 0.1998 0.7485 0.7946 -0.0219 -0.0421 -0.0010 326 LEU A CD1 ? ? 1 +4047 C CD2 A LEU A 316 0.2044 0.7525 0.7964 -0.0184 -0.0328 0.0017 326 LEU A CD2 ? ? 1 +4048 C CD2 B LEU A 316 0.1996 0.7474 0.7912 -0.0184 -0.0330 0.0016 326 LEU A CD2 ? ? 1 +4049 N N A GLY A 317 0.1697 0.7458 0.7927 -0.0240 -0.0359 0.0092 327 GLY A N ? ? 1 +4050 N N B GLY A 317 0.1637 0.7398 0.7867 -0.0240 -0.0359 0.0092 327 GLY A N ? ? 1 +4051 C CA A GLY A 317 0.1645 0.7456 0.7906 -0.0242 -0.0359 0.0111 327 GLY A CA ? ? 1 +4052 C CA B GLY A 317 0.1581 0.7392 0.7842 -0.0243 -0.0360 0.0111 327 GLY A CA ? ? 1 +4053 C C A GLY A 317 0.1592 0.7439 0.7895 -0.0239 -0.0315 0.0132 327 GLY A C ? ? 1 +4054 C C B GLY A 317 0.1524 0.7371 0.7827 -0.0238 -0.0315 0.0132 327 GLY A C ? ? 1 +4055 O O A GLY A 317 0.1575 0.7436 0.7868 -0.0234 -0.0299 0.0145 327 GLY A O ? ? 1 +4056 O O B GLY A 317 0.1512 0.7370 0.7801 -0.0233 -0.0299 0.0145 327 GLY A O ? ? 1 +4057 N N A MET A 318 0.1575 0.7436 0.7927 -0.0241 -0.0298 0.0134 328 MET A N ? ? 1 +4058 N N B MET A 318 0.1501 0.7363 0.7852 -0.0241 -0.0297 0.0134 328 MET A N ? ? 1 +4059 C CA A MET A 318 0.1539 0.7436 0.7935 -0.0236 -0.0258 0.0149 328 MET A CA ? ? 1 +4060 C CA B MET A 318 0.1459 0.7356 0.7854 -0.0235 -0.0257 0.0150 328 MET A CA ? ? 1 +4061 C C A MET A 318 0.1608 0.7469 0.7944 -0.0217 -0.0220 0.0146 328 MET A C ? ? 1 +4062 C C B MET A 318 0.1526 0.7387 0.7861 -0.0217 -0.0219 0.0146 328 MET A C ? ? 1 +4063 O O A MET A 318 0.1583 0.7469 0.7929 -0.0215 -0.0192 0.0158 328 MET A O ? ? 1 +4064 O O B MET A 318 0.1503 0.7389 0.7847 -0.0215 -0.0191 0.0159 328 MET A O ? ? 1 +4065 C CB A MET A 318 0.1513 0.7421 0.7960 -0.0237 -0.0253 0.0148 328 MET A CB ? ? 1 +4066 C CB B MET A 318 0.1430 0.7340 0.7878 -0.0237 -0.0252 0.0149 328 MET A CB ? ? 1 +4067 C CG A MET A 318 0.1457 0.7401 0.7966 -0.0256 -0.0280 0.0155 328 MET A CG ? ? 1 +4068 C CG B MET A 318 0.1374 0.7318 0.7882 -0.0256 -0.0280 0.0155 328 MET A CG ? ? 1 +4069 S SD A MET A 318 0.1463 0.7395 0.8008 -0.0255 -0.0273 0.0153 328 MET A SD ? ? 1 +4070 S SD B MET A 318 0.1375 0.7308 0.7920 -0.0254 -0.0272 0.0153 328 MET A SD ? ? 1 +4071 C CE A MET A 318 0.1463 0.7386 0.8024 -0.0282 -0.0316 0.0144 328 MET A CE ? ? 1 +4072 C CE B MET A 318 0.1375 0.7298 0.7936 -0.0281 -0.0314 0.0145 328 MET A CE ? ? 1 +4073 N N A GLU A 319 0.1704 0.7505 0.7977 -0.0206 -0.0218 0.0128 329 GLU A N ? ? 1 +4074 N N B GLU A 319 0.1618 0.7420 0.7892 -0.0206 -0.0217 0.0128 329 GLU A N ? ? 1 +4075 C CA A GLU A 319 0.1789 0.7548 0.7997 -0.0188 -0.0181 0.0122 329 GLU A CA ? ? 1 +4076 C CA B GLU A 319 0.1702 0.7461 0.7910 -0.0188 -0.0180 0.0122 329 GLU A CA ? ? 1 +4077 C C A GLU A 319 0.1835 0.7579 0.7988 -0.0186 -0.0171 0.0129 329 GLU A C ? ? 1 +4078 C C B GLU A 319 0.1748 0.7491 0.7900 -0.0185 -0.0170 0.0129 329 GLU A C ? ? 1 +4079 O O A GLU A 319 0.1832 0.7587 0.7983 -0.0181 -0.0129 0.0138 329 GLU A O ? ? 1 +4080 O O B GLU A 319 0.1744 0.7497 0.7892 -0.0180 -0.0128 0.0137 329 GLU A O ? ? 1 +4081 C CB A GLU A 319 0.1882 0.7569 0.8020 -0.0177 -0.0191 0.0099 329 GLU A CB ? ? 1 +4082 C CB B GLU A 319 0.1796 0.7483 0.7935 -0.0177 -0.0190 0.0099 329 GLU A CB ? ? 1 +4083 C CG A GLU A 319 0.1973 0.7605 0.8026 -0.0158 -0.0155 0.0090 329 GLU A CG ? ? 1 +4084 C CG B GLU A 319 0.1885 0.7519 0.7943 -0.0157 -0.0153 0.0090 329 GLU A CG ? ? 1 +4085 C CD A GLU A 319 0.2076 0.7632 0.8053 -0.0146 -0.0165 0.0066 329 GLU A CD ? ? 1 +4086 C CD B GLU A 319 0.1988 0.7545 0.7969 -0.0145 -0.0164 0.0066 329 GLU A CD ? ? 1 +4087 O OE1 A GLU A 319 0.2079 0.7631 0.8086 -0.0145 -0.0172 0.0057 329 GLU A OE1 ? ? 1 +4088 O OE1 B GLU A 319 0.1995 0.7546 0.8005 -0.0145 -0.0171 0.0057 329 GLU A OE1 ? ? 1 +4089 O OE2 A GLU A 319 0.2167 0.7663 0.8048 -0.0136 -0.0168 0.0057 329 GLU A OE2 ? ? 1 +4090 O OE2 B GLU A 319 0.2078 0.7576 0.7964 -0.0136 -0.0167 0.0056 329 GLU A OE2 ? ? 1 +4091 N N A VAL A 320 0.1888 0.7606 0.7995 -0.0190 -0.0211 0.0124 330 VAL A N ? ? 1 +4092 N N B VAL A 320 0.1798 0.7515 0.7903 -0.0189 -0.0210 0.0124 330 VAL A N ? ? 1 +4093 C CA A VAL A 320 0.1961 0.7642 0.7989 -0.0182 -0.0206 0.0128 330 VAL A CA ? ? 1 +4094 C CA B VAL A 320 0.1863 0.7545 0.7892 -0.0182 -0.0205 0.0128 330 VAL A CA ? ? 1 +4095 C C A VAL A 320 0.1918 0.7646 0.7985 -0.0190 -0.0193 0.0150 330 VAL A C ? ? 1 +4096 C C B VAL A 320 0.1817 0.7547 0.7887 -0.0191 -0.0192 0.0150 330 VAL A C ? ? 1 +4097 O O A VAL A 320 0.1972 0.7667 0.7976 -0.0184 -0.0176 0.0156 330 VAL A O ? ? 1 +4098 O O B VAL A 320 0.1870 0.7568 0.7878 -0.0184 -0.0174 0.0157 330 VAL A O ? ? 1 +4099 C CB A VAL A 320 0.2026 0.7663 0.7987 -0.0178 -0.0257 0.0114 330 VAL A CB ? ? 1 +4100 C CB B VAL A 320 0.1929 0.7566 0.7890 -0.0178 -0.0255 0.0114 330 VAL A CB ? ? 1 +4101 C CG1 A VAL A 320 0.2105 0.7684 0.8011 -0.0170 -0.0269 0.0090 330 VAL A CG1 ? ? 1 +4102 C CG1 B VAL A 320 0.2008 0.7586 0.7912 -0.0170 -0.0268 0.0090 330 VAL A CG1 ? ? 1 +4103 C CG2 A VAL A 320 0.1949 0.7641 0.7980 -0.0194 -0.0303 0.0118 330 VAL A CG2 ? ? 1 +4104 C CG2 B VAL A 320 0.1852 0.7543 0.7881 -0.0194 -0.0302 0.0118 330 VAL A CG2 ? ? 1 +4105 N N A MET A 321 0.1849 0.7647 0.8014 -0.0205 -0.0201 0.0161 331 MET A N ? ? 1 +4106 N N B MET A 321 0.1748 0.7548 0.7916 -0.0205 -0.0201 0.0161 331 MET A N ? ? 1 +4107 C CA A MET A 321 0.1813 0.7655 0.8018 -0.0214 -0.0192 0.0180 331 MET A CA ? ? 1 +4108 C CA B MET A 321 0.1712 0.7556 0.7921 -0.0214 -0.0192 0.0180 331 MET A CA ? ? 1 +4109 C C A MET A 321 0.1777 0.7661 0.8039 -0.0218 -0.0145 0.0190 331 MET A C ? ? 1 +4110 C C B MET A 321 0.1670 0.7559 0.7939 -0.0219 -0.0147 0.0191 331 MET A C ? ? 1 +4111 O O A MET A 321 0.1764 0.7663 0.8031 -0.0223 -0.0122 0.0203 331 MET A O ? ? 1 +4112 O O B MET A 321 0.1651 0.7559 0.7930 -0.0225 -0.0126 0.0204 331 MET A O ? ? 1 +4113 C CB A MET A 321 0.1755 0.7649 0.8028 -0.0226 -0.0233 0.0186 331 MET A CB ? ? 1 +4114 C CB B MET A 321 0.1659 0.7553 0.7934 -0.0227 -0.0234 0.0185 331 MET A CB ? ? 1 +4115 C CG A MET A 321 0.1809 0.7676 0.8037 -0.0223 -0.0282 0.0177 331 MET A CG ? ? 1 +4116 C CG B MET A 321 0.1716 0.7583 0.7943 -0.0223 -0.0281 0.0177 331 MET A CG ? ? 1 +4117 S SD A MET A 321 0.1918 0.7734 0.8047 -0.0209 -0.0282 0.0183 331 MET A SD ? ? 1 +4118 S SD B MET A 321 0.1829 0.7644 0.7957 -0.0209 -0.0276 0.0184 331 MET A SD ? ? 1 +4119 C CE A MET A 321 0.1839 0.7709 0.8028 -0.0219 -0.0260 0.0207 331 MET A CE ? ? 1 +4120 C CE B MET A 321 0.1752 0.7620 0.7940 -0.0220 -0.0251 0.0208 331 MET A CE ? ? 1 +4121 N N A HIS A 322 0.1771 0.7673 0.8077 -0.0215 -0.0132 0.0183 332 HIS A N ? ? 1 +4122 N N B HIS A 322 0.1665 0.7570 0.7975 -0.0215 -0.0132 0.0184 332 HIS A N ? ? 1 +4123 C CA A HIS A 322 0.1734 0.7687 0.8107 -0.0217 -0.0095 0.0191 332 HIS A CA ? ? 1 +4124 C CA B HIS A 322 0.1627 0.7583 0.8004 -0.0218 -0.0094 0.0191 332 HIS A CA ? ? 1 +4125 C C A HIS A 322 0.1790 0.7722 0.8119 -0.0214 -0.0047 0.0193 332 HIS A C ? ? 1 +4126 C C B HIS A 322 0.1684 0.7619 0.8018 -0.0214 -0.0047 0.0193 332 HIS A C ? ? 1 +4127 O O A HIS A 322 0.1880 0.7749 0.8124 -0.0204 -0.0036 0.0184 332 HIS A O ? ? 1 +4128 O O B HIS A 322 0.1774 0.7647 0.8023 -0.0204 -0.0035 0.0184 332 HIS A O ? ? 1 +4129 C CB A HIS A 322 0.1727 0.7695 0.8144 -0.0209 -0.0089 0.0182 332 HIS A CB ? ? 1 +4130 C CB B HIS A 322 0.1618 0.7590 0.8041 -0.0209 -0.0089 0.0182 332 HIS A CB ? ? 1 +4131 C CG A HIS A 322 0.1807 0.7735 0.8180 -0.0191 -0.0057 0.0167 332 HIS A CG ? ? 1 +4132 C CG B HIS A 322 0.1696 0.7628 0.8074 -0.0192 -0.0057 0.0168 332 HIS A CG ? ? 1 +4133 N ND1 A HIS A 322 0.1891 0.7748 0.8179 -0.0181 -0.0068 0.0153 332 HIS A ND1 ? ? 1 +4134 N ND1 B HIS A 322 0.1777 0.7638 0.8071 -0.0182 -0.0067 0.0154 332 HIS A ND1 ? ? 1 +4135 C CD2 A HIS A 322 0.1817 0.7769 0.8223 -0.0181 -0.0017 0.0164 332 HIS A CD2 ? ? 1 +4136 C CD2 B HIS A 322 0.1706 0.7664 0.8118 -0.0182 -0.0016 0.0165 332 HIS A CD2 ? ? 1 +4137 C CE1 A HIS A 322 0.1945 0.7781 0.8212 -0.0165 -0.0032 0.0142 332 HIS A CE1 ? ? 1 +4138 C CE1 B HIS A 322 0.1833 0.7674 0.8106 -0.0166 -0.0030 0.0143 332 HIS A CE1 ? ? 1 +4139 N NE2 A HIS A 322 0.1918 0.7813 0.8258 -0.0164 0.0001 0.0148 332 HIS A NE2 ? ? 1 +4140 N NE2 B HIS A 322 0.1806 0.7707 0.8152 -0.0165 0.0002 0.0149 332 HIS A NE2 ? ? 1 +4141 N N A GLU A 323 0.1753 0.7737 0.8141 -0.0224 -0.0020 0.0203 333 GLU A N ? ? 1 +4142 N N B GLU A 323 0.1651 0.7638 0.8042 -0.0224 -0.0020 0.0204 333 GLU A N ? ? 1 +4143 C CA A GLU A 323 0.1810 0.7784 0.8171 -0.0226 0.0031 0.0205 333 GLU A CA ? ? 1 +4144 C CA B GLU A 323 0.1711 0.7688 0.8077 -0.0226 0.0031 0.0205 333 GLU A CA ? ? 1 +4145 C C A GLU A 323 0.1878 0.7772 0.8126 -0.0222 0.0033 0.0204 333 GLU A C ? ? 1 +4146 C C B GLU A 323 0.1778 0.7675 0.8031 -0.0222 0.0035 0.0204 333 GLU A C ? ? 1 +4147 O O A GLU A 323 0.1945 0.7791 0.8130 -0.0212 0.0066 0.0195 333 GLU A O ? ? 1 +4148 O O B GLU A 323 0.1842 0.7692 0.8032 -0.0212 0.0068 0.0195 333 GLU A O ? ? 1 +4149 C CB A GLU A 323 0.1865 0.7854 0.8253 -0.0215 0.0069 0.0192 333 GLU A CB ? ? 1 +4150 C CB B GLU A 323 0.1768 0.7762 0.8163 -0.0214 0.0068 0.0192 333 GLU A CB ? ? 1 +4151 C CG A GLU A 323 0.1819 0.7888 0.8317 -0.0215 0.0067 0.0193 333 GLU A CG ? ? 1 +4152 C CG B GLU A 323 0.1728 0.7801 0.8232 -0.0215 0.0064 0.0192 333 GLU A CG ? ? 1 +4153 C CD A GLU A 323 0.1891 0.7966 0.8409 -0.0195 0.0087 0.0178 333 GLU A CD ? ? 1 +4154 C CD B GLU A 323 0.1810 0.7894 0.8339 -0.0195 0.0087 0.0178 333 GLU A CD ? ? 1 +4155 O OE1 A GLU A 323 0.2000 0.8019 0.8447 -0.0183 0.0107 0.0167 333 GLU A OE1 ? ? 1 +4156 O OE1 B GLU A 323 0.1918 0.7950 0.8381 -0.0183 0.0112 0.0167 333 GLU A OE1 ? ? 1 +4157 O OE2 A GLU A 323 0.1948 0.8081 0.8547 -0.0190 0.0082 0.0177 333 GLU A OE2 ? ? 1 +4158 O OE2 B GLU A 323 0.1905 0.8045 0.8514 -0.0190 0.0080 0.0178 333 GLU A OE2 ? ? 1 +4159 N N A ARG A 324 0.1849 0.7728 0.8070 -0.0228 0.0000 0.0214 334 ARG A N ? ? 1 +4160 N N B ARG A 324 0.1751 0.7632 0.7976 -0.0228 0.0002 0.0214 334 ARG A N ? ? 1 +4161 C CA A ARG A 324 0.1917 0.7718 0.8029 -0.0218 -0.0015 0.0213 334 ARG A CA ? ? 1 +4162 C CA B ARG A 324 0.1819 0.7622 0.7934 -0.0218 -0.0013 0.0212 334 ARG A CA ? ? 1 +4163 C C A ARG A 324 0.1987 0.7729 0.8014 -0.0216 0.0033 0.0215 334 ARG A C ? ? 1 +4164 C C B ARG A 324 0.1890 0.7633 0.7918 -0.0216 0.0034 0.0215 334 ARG A C ? ? 1 +4165 O O A ARG A 324 0.2070 0.7736 0.7992 -0.0202 0.0027 0.0211 334 ARG A O ? ? 1 +4166 O O B ARG A 324 0.1971 0.7638 0.7894 -0.0202 0.0026 0.0210 334 ARG A O ? ? 1 +4167 C CB A ARG A 324 0.1881 0.7692 0.7997 -0.0223 -0.0057 0.0224 334 ARG A CB ? ? 1 +4168 C CB B ARG A 324 0.1783 0.7596 0.7902 -0.0223 -0.0056 0.0223 334 ARG A CB ? ? 1 +4169 C CG A ARG A 324 0.1845 0.7684 0.7993 -0.0239 -0.0033 0.0240 334 ARG A CG ? ? 1 +4170 C CG B ARG A 324 0.1755 0.7590 0.7897 -0.0238 -0.0032 0.0240 334 ARG A CG ? ? 1 +4171 C CD A ARG A 324 0.1790 0.7659 0.7972 -0.0244 -0.0075 0.0250 334 ARG A CD ? ? 1 +4172 C CD B ARG A 324 0.1696 0.7564 0.7877 -0.0244 -0.0073 0.0250 334 ARG A CD ? ? 1 +4173 N NE A ARG A 324 0.1757 0.7652 0.7972 -0.0259 -0.0050 0.0264 334 ARG A NE ? ? 1 +4174 N NE B ARG A 324 0.1666 0.7559 0.7877 -0.0259 -0.0049 0.0264 334 ARG A NE ? ? 1 +4175 C CZ A ARG A 324 0.1689 0.7645 0.7988 -0.0274 -0.0023 0.0266 334 ARG A CZ ? ? 1 +4176 C CZ B ARG A 324 0.1595 0.7549 0.7891 -0.0274 -0.0023 0.0266 334 ARG A CZ ? ? 1 +4177 N NH1 A ARG A 324 0.1633 0.7642 0.8006 -0.0274 -0.0031 0.0259 334 ARG A NH1 ? ? 1 +4178 N NH1 B ARG A 324 0.1535 0.7545 0.7909 -0.0274 -0.0032 0.0260 334 ARG A NH1 ? ? 1 +4179 N NH2 A ARG A 324 0.1686 0.7647 0.7991 -0.0289 0.0011 0.0275 334 ARG A NH2 ? ? 1 +4180 N NH2 B ARG A 324 0.1594 0.7552 0.7895 -0.0289 0.0011 0.0276 334 ARG A NH2 ? ? 1 +4181 N N A ASN A 325 0.1954 0.7729 0.8024 -0.0230 0.0081 0.0222 335 ASN A N ? ? 1 +4182 N N B ASN A 325 0.1860 0.7635 0.7930 -0.0230 0.0082 0.0222 335 ASN A N ? ? 1 +4183 C CA A ASN A 325 0.2028 0.7749 0.8022 -0.0233 0.0133 0.0226 335 ASN A CA ? ? 1 +4184 C CA B ASN A 325 0.1935 0.7655 0.7928 -0.0233 0.0134 0.0225 335 ASN A CA ? ? 1 +4185 C C A ASN A 325 0.2033 0.7766 0.8045 -0.0232 0.0188 0.0214 335 ASN A C ? ? 1 +4186 C C B ASN A 325 0.1941 0.7673 0.7952 -0.0232 0.0189 0.0214 335 ASN A C ? ? 1 +4187 O O A ASN A 325 0.2099 0.7803 0.8071 -0.0240 0.0241 0.0217 335 ASN A O ? ? 1 +4188 O O B ASN A 325 0.2010 0.7710 0.7977 -0.0239 0.0242 0.0216 335 ASN A O ? ? 1 +4189 C CB A ASN A 325 0.2004 0.7744 0.8022 -0.0254 0.0152 0.0242 335 ASN A CB ? ? 1 +4190 C CB B ASN A 325 0.1914 0.7652 0.7929 -0.0254 0.0154 0.0241 335 ASN A CB ? ? 1 +4191 C CG A ASN A 325 0.1992 0.7712 0.7981 -0.0253 0.0104 0.0253 335 ASN A CG ? ? 1 +4192 C CG B ASN A 325 0.1902 0.7620 0.7889 -0.0253 0.0106 0.0253 335 ASN A CG ? ? 1 +4193 O OD1 A ASN A 325 0.2068 0.7723 0.7967 -0.0236 0.0075 0.0253 335 ASN A OD1 ? ? 1 +4194 O OD1 B ASN A 325 0.1985 0.7632 0.7874 -0.0237 0.0083 0.0253 335 ASN A OD1 ? ? 1 +4195 N ND2 A ASN A 325 0.1908 0.7686 0.7975 -0.0269 0.0094 0.0263 335 ASN A ND2 ? ? 1 +4196 N ND2 B ASN A 325 0.1811 0.7591 0.7879 -0.0267 0.0092 0.0262 335 ASN A ND2 ? ? 1 +4197 N N A ALA A 326 0.1974 0.7746 0.8043 -0.0221 0.0176 0.0201 336 ALA A N ? ? 1 +4198 N N B ALA A 326 0.1878 0.7653 0.7951 -0.0222 0.0178 0.0201 336 ALA A N ? ? 1 +4199 C CA A ALA A 326 0.1959 0.7764 0.8073 -0.0218 0.0225 0.0190 336 ALA A CA ? ? 1 +4200 C CA B ALA A 326 0.1862 0.7671 0.7981 -0.0218 0.0226 0.0190 336 ALA A CA ? ? 1 +4201 C C A ALA A 326 0.2039 0.7783 0.8076 -0.0196 0.0240 0.0174 336 ALA A C ? ? 1 +4202 C C B ALA A 326 0.1943 0.7690 0.7984 -0.0197 0.0244 0.0174 336 ALA A C ? ? 1 +4203 O O A ALA A 326 0.2056 0.7821 0.8121 -0.0190 0.0283 0.0163 336 ALA A O ? ? 1 +4204 O O B ALA A 326 0.1963 0.7730 0.8031 -0.0191 0.0289 0.0163 336 ALA A O ? ? 1 +4205 C CB A ALA A 326 0.1848 0.7744 0.8087 -0.0219 0.0206 0.0187 336 ALA A CB ? ? 1 +4206 C CB B ALA A 326 0.1753 0.7650 0.7994 -0.0219 0.0206 0.0186 336 ALA A CB ? ? 1 +4207 N N A HIS A 327 0.2096 0.7764 0.8036 -0.0183 0.0205 0.0171 337 HIS A N ? ? 1 +4208 N N B HIS A 327 0.1997 0.7669 0.7943 -0.0183 0.0207 0.0171 337 HIS A N ? ? 1 +4209 C CA A HIS A 327 0.2178 0.7782 0.8039 -0.0161 0.0213 0.0155 337 HIS A CA ? ? 1 +4210 C CA B HIS A 327 0.2080 0.7687 0.7945 -0.0162 0.0217 0.0154 337 HIS A CA ? ? 1 +4211 C C A HIS A 327 0.2299 0.7803 0.8019 -0.0155 0.0226 0.0157 337 HIS A C ? ? 1 +4212 C C B HIS A 327 0.2199 0.7706 0.7923 -0.0155 0.0229 0.0157 337 HIS A C ? ? 1 +4213 O O A HIS A 327 0.2312 0.7779 0.7978 -0.0156 0.0187 0.0166 337 HIS A O ? ? 1 +4214 O O B HIS A 327 0.2208 0.7681 0.7882 -0.0158 0.0190 0.0166 337 HIS A O ? ? 1 +4215 C CB A HIS A 327 0.2151 0.7752 0.8022 -0.0149 0.0153 0.0144 337 HIS A CB ? ? 1 +4216 C CB B HIS A 327 0.2056 0.7659 0.7930 -0.0148 0.0160 0.0143 337 HIS A CB ? ? 1 +4217 C CG A HIS A 327 0.2029 0.7716 0.8026 -0.0155 0.0132 0.0145 337 HIS A CG ? ? 1 +4218 C CG B HIS A 327 0.1932 0.7621 0.7931 -0.0155 0.0136 0.0145 337 HIS A CG ? ? 1 +4219 N ND1 A HIS A 327 0.1942 0.7672 0.7996 -0.0169 0.0087 0.0156 337 HIS A ND1 ? ? 1 +4220 N ND1 B HIS A 327 0.1846 0.7580 0.7901 -0.0171 0.0097 0.0158 337 HIS A ND1 ? ? 1 +4221 C CD2 A HIS A 327 0.1992 0.7724 0.8059 -0.0147 0.0151 0.0136 337 HIS A CD2 ? ? 1 +4222 C CD2 B HIS A 327 0.1893 0.7623 0.7960 -0.0146 0.0144 0.0135 337 HIS A CD2 ? ? 1 +4223 C CE1 A HIS A 327 0.1859 0.7655 0.8011 -0.0170 0.0081 0.0155 337 HIS A CE1 ? ? 1 +4224 C CE1 B HIS A 327 0.1760 0.7559 0.7914 -0.0172 0.0085 0.0157 337 HIS A CE1 ? ? 1 +4225 N NE2 A HIS A 327 0.1885 0.7683 0.8048 -0.0155 0.0117 0.0142 337 HIS A NE2 ? ? 1 +4226 N NE2 B HIS A 327 0.1785 0.7583 0.7948 -0.0156 0.0111 0.0143 337 HIS A NE2 ? ? 1 +4227 N N A ASN A 328 0.2380 0.7838 0.8038 -0.0145 0.0280 0.0147 338 ASN A N ? ? 1 +4228 N N B ASN A 328 0.2284 0.7745 0.7944 -0.0146 0.0283 0.0148 338 ASN A N ? ? 1 +4229 C CA A ASN A 328 0.2511 0.7866 0.8025 -0.0136 0.0301 0.0149 338 ASN A CA ? ? 1 +4230 C CA B ASN A 328 0.2416 0.7771 0.7930 -0.0137 0.0302 0.0149 338 ASN A CA ? ? 1 +4231 C C A ASN A 328 0.2605 0.7886 0.8024 -0.0110 0.0287 0.0130 338 ASN A C ? ? 1 +4232 C C B ASN A 328 0.2508 0.7790 0.7929 -0.0111 0.0287 0.0130 338 ASN A C ? ? 1 +4233 O O A ASN A 328 0.2720 0.7905 0.8006 -0.0098 0.0288 0.0129 338 ASN A O ? ? 1 +4234 O O B ASN A 328 0.2621 0.7808 0.7910 -0.0099 0.0284 0.0129 338 ASN A O ? ? 1 +4235 C CB A ASN A 328 0.2560 0.7908 0.8059 -0.0148 0.0381 0.0154 338 ASN A CB ? ? 1 +4236 C CB B ASN A 328 0.2467 0.7814 0.7964 -0.0148 0.0382 0.0154 338 ASN A CB ? ? 1 +4237 C CG A ASN A 328 0.2493 0.7895 0.8061 -0.0176 0.0397 0.0172 338 ASN A CG ? ? 1 +4238 C CG B ASN A 328 0.2399 0.7801 0.7967 -0.0176 0.0399 0.0172 338 ASN A CG ? ? 1 +4239 O OD1 A ASN A 328 0.2429 0.7852 0.8025 -0.0184 0.0347 0.0184 338 ASN A OD1 ? ? 1 +4240 O OD1 B ASN A 328 0.2337 0.7759 0.7932 -0.0185 0.0350 0.0184 338 ASN A OD1 ? ? 1 +4241 N ND2 A ASN A 328 0.2506 0.7932 0.8103 -0.0192 0.0466 0.0174 338 ASN A ND2 ? ? 1 +4242 N ND2 B ASN A 328 0.2412 0.7839 0.8011 -0.0192 0.0469 0.0173 338 ASN A ND2 ? ? 1 +4243 N N A PHE A 329 0.2566 0.7887 0.8051 -0.0101 0.0275 0.0114 339 PHE A N ? ? 1 +4244 N N B PHE A 329 0.2470 0.7792 0.7956 -0.0101 0.0276 0.0115 339 PHE A N ? ? 1 +4245 C CA A PHE A 329 0.2662 0.7915 0.8065 -0.0077 0.0266 0.0094 339 PHE A CA ? ? 1 +4246 C CA B PHE A 329 0.2566 0.7821 0.7972 -0.0077 0.0267 0.0094 339 PHE A CA ? ? 1 +4247 C C A PHE A 329 0.2611 0.7884 0.8058 -0.0073 0.0197 0.0084 339 PHE A C ? ? 1 +4248 C C B PHE A 329 0.2510 0.7786 0.7961 -0.0074 0.0197 0.0085 339 PHE A C ? ? 1 +4249 O O A PHE A 329 0.2491 0.7844 0.8050 -0.0086 0.0170 0.0092 339 PHE A O ? ? 1 +4250 O O B PHE A 329 0.2390 0.7747 0.7954 -0.0087 0.0172 0.0092 339 PHE A O ? ? 1 +4251 C CB A PHE A 329 0.2695 0.7957 0.8114 -0.0066 0.0333 0.0081 339 PHE A CB ? ? 1 +4252 C CB B PHE A 329 0.2596 0.7862 0.8021 -0.0067 0.0334 0.0082 339 PHE A CB ? ? 1 +4253 C CG A PHE A 329 0.2751 0.8000 0.8137 -0.0076 0.0406 0.0091 339 PHE A CG ? ? 1 +4254 C CG B PHE A 329 0.2651 0.7907 0.8046 -0.0076 0.0407 0.0091 339 PHE A CG ? ? 1 +4255 C CD1 A PHE A 329 0.2873 0.8026 0.8121 -0.0073 0.0420 0.0097 339 PHE A CD1 ? ? 1 +4256 C CD1 B PHE A 329 0.2777 0.7935 0.8032 -0.0073 0.0423 0.0097 339 PHE A CD1 ? ? 1 +4257 C CD2 A PHE A 329 0.2686 0.8020 0.8180 -0.0088 0.0459 0.0094 339 PHE A CD2 ? ? 1 +4258 C CD2 B PHE A 329 0.2583 0.7926 0.8089 -0.0090 0.0458 0.0094 339 PHE A CD2 ? ? 1 +4259 C CE1 A PHE A 329 0.2929 0.8063 0.8143 -0.0085 0.0491 0.0107 339 PHE A CE1 ? ? 1 +4260 C CE1 B PHE A 329 0.2829 0.7971 0.8054 -0.0086 0.0494 0.0107 339 PHE A CE1 ? ? 1 +4261 C CE2 A PHE A 329 0.2739 0.8062 0.8207 -0.0101 0.0528 0.0101 339 PHE A CE2 ? ? 1 +4262 C CE2 B PHE A 329 0.2632 0.7966 0.8115 -0.0103 0.0527 0.0102 339 PHE A CE2 ? ? 1 +4263 C CZ A PHE A 329 0.2860 0.8081 0.8187 -0.0101 0.0546 0.0108 339 PHE A CZ ? ? 1 +4264 C CZ B PHE A 329 0.2757 0.7989 0.8099 -0.0102 0.0547 0.0108 339 PHE A CZ ? ? 1 +4265 N N A PRO A 330 0.2708 0.7906 0.8064 -0.0055 0.0165 0.0066 340 PRO A N ? ? 1 +4266 N N B PRO A 330 0.2604 0.7806 0.7966 -0.0056 0.0164 0.0067 340 PRO A N ? ? 1 +4267 C CA A PRO A 330 0.2680 0.7884 0.8059 -0.0057 0.0092 0.0057 340 PRO A CA ? ? 1 +4268 C CA B PRO A 330 0.2570 0.7781 0.7958 -0.0059 0.0092 0.0059 340 PRO A CA ? ? 1 +4269 C C A PRO A 330 0.2608 0.7875 0.8097 -0.0060 0.0077 0.0049 340 PRO A C ? ? 1 +4270 C C B PRO A 330 0.2491 0.7769 0.7995 -0.0062 0.0077 0.0052 340 PRO A C ? ? 1 +4271 O O A PRO A 330 0.2577 0.7853 0.8094 -0.0066 0.0020 0.0044 340 PRO A O ? ? 1 +4272 O O B PRO A 330 0.2443 0.7745 0.7990 -0.0072 0.0021 0.0051 340 PRO A O ? ? 1 +4273 C CB A PRO A 330 0.2812 0.7911 0.8054 -0.0037 0.0073 0.0037 340 PRO A CB ? ? 1 +4274 C CB B PRO A 330 0.2698 0.7807 0.7953 -0.0039 0.0070 0.0038 340 PRO A CB ? ? 1 +4275 C CG A PRO A 330 0.2903 0.7954 0.8077 -0.0021 0.0142 0.0031 340 PRO A CG ? ? 1 +4276 C CG B PRO A 330 0.2794 0.7851 0.7976 -0.0023 0.0137 0.0032 340 PRO A CG ? ? 1 +4277 C CD A PRO A 330 0.2854 0.7955 0.8077 -0.0035 0.0197 0.0053 340 PRO A CD ? ? 1 +4278 C CD B PRO A 330 0.2748 0.7854 0.7978 -0.0036 0.0195 0.0053 340 PRO A CD ? ? 1 +4279 N N A LEU A 331 0.2601 0.7906 0.8150 -0.0054 0.0128 0.0048 341 LEU A N ? ? 1 +4280 N N B LEU A 331 0.2493 0.7800 0.8045 -0.0054 0.0126 0.0048 341 LEU A N ? ? 1 +4281 C CA A LEU A 331 0.2541 0.7898 0.8186 -0.0052 0.0114 0.0041 341 LEU A CA ? ? 1 +4282 C CA B LEU A 331 0.2428 0.7788 0.8077 -0.0052 0.0113 0.0041 341 LEU A CA ? ? 1 +4283 C C A LEU A 331 0.2452 0.7908 0.8222 -0.0062 0.0143 0.0056 341 LEU A C ? ? 1 +4284 C C B LEU A 331 0.2338 0.7797 0.8112 -0.0062 0.0143 0.0057 341 LEU A C ? ? 1 +4285 O O A LEU A 331 0.2465 0.7943 0.8246 -0.0060 0.0199 0.0061 341 LEU A O ? ? 1 +4286 O O B LEU A 331 0.2351 0.7831 0.8134 -0.0060 0.0198 0.0061 341 LEU A O ? ? 1 +4287 C CB A LEU A 331 0.2623 0.7929 0.8221 -0.0027 0.0139 0.0019 341 LEU A CB ? ? 1 +4288 C CB B LEU A 331 0.2508 0.7818 0.8113 -0.0027 0.0138 0.0019 341 LEU A CB ? ? 1 +4289 C CG A LEU A 331 0.2749 0.7949 0.8215 -0.0014 0.0117 0.0000 341 LEU A CG ? ? 1 +4290 C CG B LEU A 331 0.2637 0.7841 0.8109 -0.0014 0.0116 0.0000 341 LEU A CG ? ? 1 +4291 C CD1 A LEU A 331 0.2825 0.7979 0.8254 0.0011 0.0143 -0.0022 341 LEU A CD1 ? ? 1 +4292 C CD1 B LEU A 331 0.2712 0.7871 0.8149 0.0011 0.0143 -0.0022 341 LEU A CD1 ? ? 1 +4293 C CD2 A LEU A 331 0.2732 0.7918 0.8193 -0.0027 0.0043 -0.0004 341 LEU A CD2 ? ? 1 +4294 C CD2 B LEU A 331 0.2622 0.7810 0.8087 -0.0027 0.0042 -0.0005 341 LEU A CD2 ? ? 1 +4295 N N A ASP A 332 0.2377 0.7893 0.8240 -0.0073 0.0105 0.0063 342 ASP A N ? ? 1 +4296 N N B ASP A 332 0.2260 0.7779 0.8128 -0.0074 0.0105 0.0064 342 ASP A N ? ? 1 +4297 C CA A ASP A 332 0.2297 0.7906 0.8280 -0.0080 0.0123 0.0075 342 ASP A CA ? ? 1 +4298 C CA B ASP A 332 0.2179 0.7791 0.8165 -0.0081 0.0124 0.0076 342 ASP A CA ? ? 1 +4299 C C A ASP A 332 0.2309 0.7926 0.8328 -0.0058 0.0141 0.0061 342 ASP A C ? ? 1 +4300 C C B ASP A 332 0.2183 0.7808 0.8211 -0.0059 0.0142 0.0062 342 ASP A C ? ? 1 +4301 O O A ASP A 332 0.2292 0.7904 0.8334 -0.0054 0.0105 0.0055 342 ASP A O ? ? 1 +4302 O O B ASP A 332 0.2150 0.7784 0.8218 -0.0057 0.0107 0.0060 342 ASP A O ? ? 1 +4303 C CB A ASP A 332 0.2213 0.7874 0.8268 -0.0101 0.0074 0.0090 342 ASP A CB ? ? 1 +4304 C CB B ASP A 332 0.2093 0.7758 0.8152 -0.0102 0.0076 0.0091 342 ASP A CB ? ? 1 +4305 C CG A ASP A 332 0.2136 0.7891 0.8306 -0.0110 0.0088 0.0104 342 ASP A CG ? ? 1 +4306 C CG B ASP A 332 0.2020 0.7780 0.8193 -0.0112 0.0090 0.0106 342 ASP A CG ? ? 1 +4307 O OD1 A ASP A 332 0.2177 0.7968 0.8383 -0.0103 0.0137 0.0103 342 ASP A OD1 ? ? 1 +4308 O OD1 B ASP A 332 0.2063 0.7858 0.8270 -0.0105 0.0139 0.0105 342 ASP A OD1 ? ? 1 +4309 O OD2 A ASP A 332 0.2073 0.7867 0.8299 -0.0126 0.0051 0.0116 342 ASP A OD2 ? ? 1 +4310 O OD2 B ASP A 332 0.1956 0.7756 0.8187 -0.0127 0.0053 0.0117 342 ASP A OD2 ? ? 1 +4311 N N A LEU A 333 0.2356 0.7983 0.8376 -0.0042 0.0198 0.0054 343 LEU A N ? ? 1 +4312 N N B LEU A 333 0.2240 0.7864 0.8256 -0.0042 0.0198 0.0054 343 LEU A N ? ? 1 +4313 C CA A LEU A 333 0.2386 0.8015 0.8429 -0.0015 0.0220 0.0038 343 LEU A CA ? ? 1 +4314 C CA B LEU A 333 0.2264 0.7892 0.8307 -0.0015 0.0219 0.0038 343 LEU A CA ? ? 1 +4315 C C A LEU A 333 0.2308 0.8034 0.8477 -0.0011 0.0232 0.0044 343 LEU A C ? ? 1 +4316 C C B LEU A 333 0.2185 0.7911 0.8354 -0.0011 0.0233 0.0044 343 LEU A C ? ? 1 +4317 O O A LEU A 333 0.2314 0.8050 0.8517 0.0014 0.0242 0.0033 343 LEU A O ? ? 1 +4318 O O B LEU A 333 0.2192 0.7929 0.8394 0.0014 0.0243 0.0033 343 LEU A O ? ? 1 +4319 C CB A LEU A 333 0.2483 0.8067 0.8454 0.0003 0.0277 0.0024 343 LEU A CB ? ? 1 +4320 C CB B LEU A 333 0.2361 0.7941 0.8329 0.0004 0.0275 0.0024 343 LEU A CB ? ? 1 +4321 C CG A LEU A 333 0.2596 0.8072 0.8430 0.0009 0.0266 0.0013 343 LEU A CG ? ? 1 +4322 C CG B LEU A 333 0.2474 0.7946 0.8305 0.0009 0.0263 0.0013 343 LEU A CG ? ? 1 +4323 C CD1 A LEU A 333 0.2703 0.8135 0.8468 0.0030 0.0328 -0.0001 343 LEU A CD1 ? ? 1 +4324 C CD1 B LEU A 333 0.2579 0.8007 0.8341 0.0030 0.0324 -0.0002 343 LEU A CD1 ? ? 1 +4325 C CD2 A LEU A 333 0.2620 0.8044 0.8425 0.0017 0.0215 0.0001 343 LEU A CD2 ? ? 1 +4326 C CD2 B LEU A 333 0.2499 0.7919 0.8301 0.0018 0.0212 0.0000 343 LEU A CD2 ? ? 1 +4327 N N A ALA A 334 0.2244 0.8039 0.8482 -0.0034 0.0230 0.0062 344 ALA A N ? ? 1 +4328 N N B ALA A 334 0.2119 0.7914 0.8356 -0.0034 0.0229 0.0062 344 ALA A N ? ? 1 +4329 C CA A ALA A 334 0.2172 0.8060 0.8529 -0.0033 0.0230 0.0068 344 ALA A CA ? ? 1 +4330 C CA B ALA A 334 0.2045 0.7933 0.8401 -0.0033 0.0230 0.0068 344 ALA A CA ? ? 1 +4331 C C A ALA A 334 0.2103 0.8039 0.8508 -0.0063 0.0203 0.0088 344 ALA A C ? ? 1 +4332 C C B ALA A 334 0.1979 0.7915 0.8383 -0.0063 0.0203 0.0088 344 ALA A C ? ? 1 +4333 O O A ALA A 334 0.2050 0.8047 0.8539 -0.0066 0.0180 0.0096 344 ALA A O ? ? 1 +4334 O O B ALA A 334 0.1930 0.7927 0.8419 -0.0066 0.0180 0.0096 344 ALA A O ? ? 1 +4335 C CB A ALA A 334 0.2178 0.8121 0.8585 -0.0019 0.0289 0.0059 344 ALA A CB ? ? 1 +4336 C CB B ALA A 334 0.2050 0.7992 0.8454 -0.0020 0.0290 0.0059 344 ALA A CB ? ? 1 +4337 O OXT A ALA A 334 0.2145 0.8055 0.8498 -0.0083 0.0204 0.0096 344 ALA A OXT ? ? 1 +4338 O OXT B ALA A 334 0.2029 0.7938 0.8381 -0.0083 0.0204 0.0096 344 ALA A OXT ? ? 1 +4339 N N . GLY B 1 0.3673 0.8638 0.8915 0.0218 -0.0325 0.0801 2 GLY B N ? ? 1 +4340 C CA . GLY B 1 0.3604 0.8582 0.8869 0.0159 -0.0266 0.0807 2 GLY B CA ? ? 1 +4341 C C . GLY B 1 0.3475 0.8489 0.8837 0.0105 -0.0225 0.0804 2 GLY B C ? ? 1 +4342 O O . GLY B 1 0.3518 0.8536 0.8920 0.0113 -0.0240 0.0800 2 GLY B O ? ? 1 +4343 N N . LEU B 2 0.3335 0.8378 0.8737 0.0051 -0.0174 0.0806 3 LEU B N ? ? 1 +4344 C CA . LEU B 2 0.3148 0.8247 0.8658 -0.0002 -0.0140 0.0798 3 LEU B CA ? ? 1 +4345 C CB . LEU B 2 0.3107 0.8240 0.8650 -0.0053 -0.0088 0.0799 3 LEU B CB ? ? 1 +4346 C CG . LEU B 2 0.3233 0.8257 0.8680 -0.0076 -0.0027 0.0825 3 LEU B CG ? ? 1 +4347 C CD1 . LEU B 2 0.3190 0.8275 0.8696 -0.0123 0.0017 0.0820 3 LEU B CD1 ? ? 1 +4348 C CD2 . LEU B 2 0.3288 0.8238 0.8721 -0.0099 0.0005 0.0839 3 LEU B CD2 ? ? 1 +4349 C C . LEU B 2 0.2934 0.8160 0.8575 -0.0002 -0.0181 0.0769 3 LEU B C ? ? 1 +4350 O O . LEU B 2 0.2859 0.8169 0.8547 0.0009 -0.0212 0.0751 3 LEU B O ? ? 1 +4351 N N . PRO B 3 0.2815 0.8054 0.8517 -0.0016 -0.0179 0.0763 4 PRO B N ? ? 1 +4352 C CA . PRO B 3 0.2642 0.8003 0.8475 -0.0028 -0.0204 0.0736 4 PRO B CA ? ? 1 +4353 C CB . PRO B 3 0.2655 0.7981 0.8508 -0.0036 -0.0195 0.0738 4 PRO B CB ? ? 1 +4354 C CG . PRO B 3 0.2808 0.7996 0.8539 -0.0021 -0.0175 0.0764 4 PRO B CG ? ? 1 +4355 C CD . PRO B 3 0.2896 0.8029 0.8539 -0.0020 -0.0152 0.0782 4 PRO B CD ? ? 1 +4356 C C . PRO B 3 0.2518 0.7966 0.8439 -0.0077 -0.0176 0.0725 4 PRO B C ? ? 1 +4357 O O . PRO B 3 0.2541 0.7956 0.8437 -0.0110 -0.0130 0.0737 4 PRO B O ? ? 1 +4358 N N . TRP B 4 0.2359 0.7918 0.8382 -0.0080 -0.0205 0.0700 5 TRP B N ? ? 1 +4359 C CA . TRP B 4 0.2234 0.7879 0.8337 -0.0117 -0.0188 0.0687 5 TRP B CA ? ? 1 +4360 C CB . TRP B 4 0.2128 0.7882 0.8328 -0.0110 -0.0227 0.0661 5 TRP B CB ? ? 1 +4361 C CG . TRP B 4 0.2087 0.7873 0.8358 -0.0120 -0.0233 0.0650 5 TRP B CG ? ? 1 +4362 C CD1 . TRP B 4 0.2103 0.7880 0.8373 -0.0089 -0.0264 0.0645 5 TRP B CD1 ? ? 1 +4363 N NE1 . TRP B 4 0.2043 0.7853 0.8383 -0.0110 -0.0258 0.0635 5 TRP B NE1 ? ? 1 +4364 C CE2 . TRP B 4 0.1987 0.7831 0.8376 -0.0155 -0.0226 0.0632 5 TRP B CE2 ? ? 1 +4365 C CZ2 . TRP B 4 0.1920 0.7803 0.8382 -0.0189 -0.0211 0.0621 5 TRP B CZ2 ? ? 1 +4366 C CH2 . TRP B 4 0.1901 0.7815 0.8400 -0.0228 -0.0182 0.0620 5 TRP B CH2 ? ? 1 +4367 C CZ3 . TRP B 4 0.1927 0.7834 0.8394 -0.0236 -0.0163 0.0629 5 TRP B CZ3 ? ? 1 +4368 C CE3 . TRP B 4 0.1984 0.7850 0.8376 -0.0204 -0.0175 0.0640 5 TRP B CE3 ? ? 1 +4369 C CD2 . TRP B 4 0.2017 0.7850 0.8367 -0.0163 -0.0209 0.0641 5 TRP B CD2 ? ? 1 +4370 C C . TRP B 4 0.2169 0.7811 0.8312 -0.0167 -0.0140 0.0691 5 TRP B C ? ? 1 +4371 O O . TRP B 4 0.2149 0.7822 0.8317 -0.0197 -0.0110 0.0690 5 TRP B O ? ? 1 +4372 N N A TYR B 5 0.2163 0.7768 0.8313 -0.0175 -0.0133 0.0694 6 TYR B N ? ? 1 +4373 N N B TYR B 5 0.2161 0.7766 0.8311 -0.0175 -0.0133 0.0694 6 TYR B N ? ? 1 +4374 C CA A TYR B 5 0.2119 0.7729 0.8319 -0.0224 -0.0093 0.0693 6 TYR B CA ? ? 1 +4375 C CA B TYR B 5 0.2120 0.7729 0.8319 -0.0223 -0.0094 0.0693 6 TYR B CA ? ? 1 +4376 C C A TYR B 5 0.2211 0.7733 0.8340 -0.0249 -0.0042 0.0715 6 TYR B C ? ? 1 +4377 C C B TYR B 5 0.2211 0.7733 0.8340 -0.0248 -0.0043 0.0715 6 TYR B C ? ? 1 +4378 O O A TYR B 5 0.2195 0.7718 0.8364 -0.0292 -0.0007 0.0714 6 TYR B O ? ? 1 +4379 O O B TYR B 5 0.2192 0.7715 0.8361 -0.0292 -0.0007 0.0714 6 TYR B O ? ? 1 +4380 C CB A TYR B 5 0.2090 0.7693 0.8324 -0.0224 -0.0107 0.0685 6 TYR B CB ? ? 1 +4381 C CB B TYR B 5 0.2091 0.7692 0.8323 -0.0222 -0.0108 0.0686 6 TYR B CB ? ? 1 +4382 C CG A TYR B 5 0.2179 0.7696 0.8332 -0.0182 -0.0127 0.0697 6 TYR B CG ? ? 1 +4383 C CG B TYR B 5 0.2184 0.7698 0.8334 -0.0180 -0.0128 0.0698 6 TYR B CG ? ? 1 +4384 C CD2 A TYR B 5 0.2290 0.7696 0.8368 -0.0189 -0.0099 0.0716 6 TYR B CD2 ? ? 1 +4385 C CD2 B TYR B 5 0.2165 0.7710 0.8318 -0.0133 -0.0177 0.0688 6 TYR B CD2 ? ? 1 +4386 C CD1 A TYR B 5 0.2161 0.7706 0.8313 -0.0135 -0.0176 0.0689 6 TYR B CD1 ? ? 1 +4387 C CD1 B TYR B 5 0.2297 0.7699 0.8369 -0.0187 -0.0099 0.0717 6 TYR B CD1 ? ? 1 +4388 C CE2 A TYR B 5 0.2387 0.7707 0.8385 -0.0147 -0.0119 0.0727 6 TYR B CE2 ? ? 1 +4389 C CE2 B TYR B 5 0.2254 0.7722 0.8334 -0.0090 -0.0198 0.0698 6 TYR B CE2 ? ? 1 +4390 C CE1 A TYR B 5 0.2249 0.7718 0.8329 -0.0091 -0.0197 0.0698 6 TYR B CE1 ? ? 1 +4391 C CE1 B TYR B 5 0.2398 0.7712 0.8387 -0.0144 -0.0119 0.0729 6 TYR B CE1 ? ? 1 +4392 C CZ A TYR B 5 0.2367 0.7721 0.8367 -0.0096 -0.0169 0.0718 6 TYR B CZ ? ? 1 +4393 C CZ B TYR B 5 0.2378 0.7728 0.8373 -0.0093 -0.0170 0.0719 6 TYR B CZ ? ? 1 +4394 O OH A TYR B 5 0.2463 0.7735 0.8385 -0.0049 -0.0192 0.0728 6 TYR B OH ? ? 1 +4395 O OH B TYR B 5 0.2482 0.7751 0.8400 -0.0047 -0.0192 0.0729 6 TYR B OH ? ? 1 +4396 N N . ARG B 6 0.2302 0.7749 0.8328 -0.0221 -0.0039 0.0733 7 ARG B N ? ? 1 +4397 C CA . ARG B 6 0.2390 0.7744 0.8335 -0.0242 0.0012 0.0756 7 ARG B CA ? ? 1 +4398 C CB . ARG B 6 0.2528 0.7753 0.8354 -0.0209 0.0007 0.0777 7 ARG B CB ? ? 1 +4399 C CG . ARG B 6 0.2528 0.7724 0.8373 -0.0211 -0.0002 0.0774 7 ARG B CG ? ? 1 +4400 C CD . ARG B 6 0.2686 0.7742 0.8404 -0.0182 0.0003 0.0798 7 ARG B CD ? ? 1 +4401 N NE . ARG B 6 0.2709 0.7733 0.8442 -0.0181 -0.0007 0.0794 7 ARG B NE ? ? 1 +4402 C CZ . ARG B 6 0.2817 0.7743 0.8461 -0.0139 -0.0026 0.0807 7 ARG B CZ ? ? 1 +4403 N NH1 . ARG B 6 0.2959 0.7787 0.8479 -0.0102 -0.0027 0.0829 7 ARG B NH1 ? ? 1 +4404 N NH2 . ARG B 6 0.2793 0.7716 0.8471 -0.0131 -0.0044 0.0797 7 ARG B NH2 ? ? 1 +4405 C C . ARG B 6 0.2388 0.7742 0.8289 -0.0240 0.0031 0.0763 7 ARG B C ? ? 1 +4406 O O . ARG B 6 0.2505 0.7771 0.8323 -0.0251 0.0074 0.0784 7 ARG B O ? ? 1 +4407 N N . VAL B 7 0.2264 0.7708 0.8214 -0.0226 0.0002 0.0747 8 VAL B N ? ? 1 +4408 C CA . VAL B 7 0.2282 0.7721 0.8182 -0.0219 0.0015 0.0753 8 VAL B CA ? ? 1 +4409 C CB . VAL B 7 0.2165 0.7708 0.8131 -0.0205 -0.0022 0.0731 8 VAL B CB ? ? 1 +4410 C CG1 . VAL B 7 0.2173 0.7716 0.8110 -0.0156 -0.0082 0.0725 8 VAL B CG1 ? ? 1 +4411 C CG2 . VAL B 7 0.2030 0.7681 0.8128 -0.0238 -0.0022 0.0709 8 VAL B CG2 ? ? 1 +4412 C C . VAL B 7 0.2297 0.7721 0.8197 -0.0262 0.0080 0.0762 8 VAL B C ? ? 1 +4413 O O . VAL B 7 0.2392 0.7756 0.8205 -0.0255 0.0106 0.0777 8 VAL B O ? ? 1 +4414 N N . HIS B 8 0.2209 0.7685 0.8203 -0.0307 0.0106 0.0752 9 HIS B N ? ? 1 +4415 C CA . HIS B 8 0.2211 0.7693 0.8225 -0.0351 0.0166 0.0755 9 HIS B CA ? ? 1 +4416 C CB . HIS B 8 0.2060 0.7649 0.8210 -0.0389 0.0171 0.0733 9 HIS B CB ? ? 1 +4417 C CG . HIS B 8 0.1918 0.7614 0.8141 -0.0375 0.0137 0.0712 9 HIS B CG ? ? 1 +4418 N ND1 . HIS B 8 0.1788 0.7580 0.8126 -0.0394 0.0122 0.0690 9 HIS B ND1 ? ? 1 +4419 C CE1 . HIS B 8 0.1712 0.7571 0.8079 -0.0374 0.0095 0.0678 9 HIS B CE1 ? ? 1 +4420 N NE2 . HIS B 8 0.1773 0.7587 0.8054 -0.0345 0.0091 0.0689 9 HIS B NE2 ? ? 1 +4421 C CD2 . HIS B 8 0.1899 0.7610 0.8087 -0.0343 0.0116 0.0711 9 HIS B CD2 ? ? 1 +4422 C C . HIS B 8 0.2364 0.7734 0.8299 -0.0373 0.0217 0.0778 9 HIS B C ? ? 1 +4423 O O . HIS B 8 0.2408 0.7774 0.8349 -0.0408 0.0272 0.0783 9 HIS B O ? ? 1 +4424 N N . THR B 9 0.2459 0.7736 0.8318 -0.0351 0.0201 0.0792 10 THR B N ? ? 1 +4425 C CA . THR B 9 0.2616 0.7768 0.8381 -0.0367 0.0248 0.0816 10 THR B CA ? ? 1 +4426 C CB . THR B 9 0.2694 0.7758 0.8395 -0.0338 0.0217 0.0826 10 THR B CB ? ? 1 +4427 O OG1 . THR B 9 0.2737 0.7776 0.8364 -0.0276 0.0165 0.0831 10 THR B OG1 ? ? 1 +4428 C CG2 . THR B 9 0.2597 0.7726 0.8403 -0.0354 0.0191 0.0806 10 THR B CG2 ? ? 1 +4429 C C . THR B 9 0.2749 0.7815 0.8394 -0.0355 0.0283 0.0839 10 THR B C ? ? 1 +4430 O O . THR B 9 0.2871 0.7834 0.8439 -0.0376 0.0333 0.0859 10 THR B O ? ? 1 +4431 N N . VAL B 10 0.2738 0.7843 0.8364 -0.0323 0.0259 0.0834 11 VAL B N ? ? 1 +4432 C CA . VAL B 10 0.2875 0.7903 0.8385 -0.0308 0.0289 0.0853 11 VAL B CA ? ? 1 +4433 C CB . VAL B 10 0.2843 0.7910 0.8327 -0.0261 0.0241 0.0845 11 VAL B CB ? ? 1 +4434 C CG1 . VAL B 10 0.2843 0.7896 0.8299 -0.0211 0.0170 0.0842 11 VAL B CG1 ? ? 1 +4435 C CG2 . VAL B 10 0.2693 0.7899 0.8301 -0.0279 0.0234 0.0819 11 VAL B CG2 ? ? 1 +4436 C C . VAL B 10 0.2919 0.7966 0.8459 -0.0357 0.0361 0.0855 11 VAL B C ? ? 1 +4437 O O . VAL B 10 0.3033 0.8006 0.8473 -0.0353 0.0400 0.0872 11 VAL B O ? ? 1 +4438 N N . LEU B 11 0.2838 0.7987 0.8515 -0.0401 0.0376 0.0835 12 LEU B N ? ? 1 +4439 C CA . LEU B 11 0.2863 0.8047 0.8591 -0.0450 0.0442 0.0832 12 LEU B CA ? ? 1 +4440 C CB . LEU B 11 0.2687 0.8024 0.8576 -0.0473 0.0426 0.0802 12 LEU B CB ? ? 1 +4441 C CG . LEU B 11 0.2577 0.7998 0.8499 -0.0436 0.0376 0.0785 12 LEU B CG ? ? 1 +4442 C CD1 . LEU B 11 0.2419 0.7975 0.8491 -0.0457 0.0358 0.0757 12 LEU B CD1 ? ? 1 +4443 C CD2 . LEU B 11 0.2628 0.8035 0.8488 -0.0423 0.0405 0.0792 12 LEU B CD2 ? ? 1 +4444 C C . LEU B 11 0.2993 0.8103 0.8704 -0.0498 0.0501 0.0845 12 LEU B C ? ? 1 +4445 O O . LEU B 11 0.3077 0.8199 0.8811 -0.0538 0.0563 0.0846 12 LEU B O ? ? 1 +4446 N N . ILE B 12 0.3081 0.8115 0.8752 -0.0494 0.0484 0.0855 13 ILE B N ? ? 1 +4447 C CA . ILE B 12 0.3194 0.8159 0.8858 -0.0542 0.0536 0.0864 13 ILE B CA ? ? 1 +4448 C CB . ILE B 12 0.3278 0.8156 0.8888 -0.0523 0.0501 0.0873 13 ILE B CB ? ? 1 +4449 C CG1 . ILE B 12 0.3153 0.8142 0.8886 -0.0516 0.0440 0.0846 13 ILE B CG1 ? ? 1 +4450 C CG2 . ILE B 12 0.3409 0.8178 0.8973 -0.0568 0.0558 0.0888 13 ILE B CG2 ? ? 1 +4451 C CD1 . ILE B 12 0.3198 0.8116 0.8896 -0.0498 0.0405 0.0850 13 ILE B CD1 ? ? 1 +4452 C C . ILE B 12 0.3369 0.8232 0.8933 -0.0566 0.0612 0.0888 13 ILE B C ? ? 1 +4453 O O . ILE B 12 0.3429 0.8290 0.9037 -0.0624 0.0672 0.0886 13 ILE B O ? ? 1 +4454 N N . ASN B 13 0.3476 0.8251 0.8903 -0.0523 0.0611 0.0909 14 ASN B N ? ? 1 +4455 C CA . ASN B 13 0.3629 0.8294 0.8941 -0.0539 0.0682 0.0934 14 ASN B CA ? ? 1 +4456 C CB . ASN B 13 0.3897 0.8391 0.9031 -0.0499 0.0673 0.0965 14 ASN B CB ? ? 1 +4457 C CG . ASN B 13 0.4037 0.8460 0.9160 -0.0508 0.0660 0.0971 14 ASN B CG ? ? 1 +4458 O OD1 . ASN B 13 0.4137 0.8534 0.9224 -0.0459 0.0594 0.0972 14 ASN B OD1 ? ? 1 +4459 N ND2 . ASN B 13 0.4110 0.8500 0.9262 -0.0570 0.0722 0.0974 14 ASN B ND2 ? ? 1 +4460 C C . ASN B 13 0.3531 0.8244 0.8832 -0.0525 0.0700 0.0931 14 ASN B C ? ? 1 +4461 O O . ASN B 13 0.3656 0.8265 0.8823 -0.0510 0.0736 0.0954 14 ASN B O ? ? 1 +4462 N N . ASP B 14 0.3309 0.8174 0.8746 -0.0529 0.0676 0.0903 15 ASP B N ? ? 1 +4463 C CA . ASP B 14 0.3247 0.8171 0.8688 -0.0515 0.0687 0.0896 15 ASP B CA ? ? 1 +4464 C CB . ASP B 14 0.3189 0.8144 0.8606 -0.0453 0.0608 0.0888 15 ASP B CB ? ? 1 +4465 C CG . ASP B 14 0.3207 0.8187 0.8586 -0.0427 0.0614 0.0885 15 ASP B CG ? ? 1 +4466 O OD1 . ASP B 14 0.3254 0.8259 0.8657 -0.0458 0.0677 0.0884 15 ASP B OD1 ? ? 1 +4467 O OD2 . ASP B 14 0.3206 0.8182 0.8534 -0.0377 0.0556 0.0883 15 ASP B OD2 ? ? 1 +4468 C C . ASP B 14 0.3084 0.8149 0.8689 -0.0562 0.0718 0.0870 15 ASP B C ? ? 1 +4469 O O . ASP B 14 0.2908 0.8096 0.8623 -0.0552 0.0672 0.0845 15 ASP B O ? ? 1 +4470 N N . PRO B 15 0.3116 0.8168 0.8744 -0.0617 0.0796 0.0874 16 PRO B N ? ? 1 +4471 C CA . PRO B 15 0.2991 0.8180 0.8782 -0.0663 0.0824 0.0847 16 PRO B CA ? ? 1 +4472 C CB . PRO B 15 0.3122 0.8250 0.8886 -0.0716 0.0917 0.0860 16 PRO B CB ? ? 1 +4473 C CG . PRO B 15 0.3278 0.8236 0.8891 -0.0708 0.0924 0.0891 16 PRO B CG ? ? 1 +4474 C CD . PRO B 15 0.3292 0.8198 0.8794 -0.0638 0.0862 0.0903 16 PRO B CD ? ? 1 +4475 C C . PRO B 15 0.2880 0.8180 0.8730 -0.0639 0.0809 0.0828 16 PRO B C ? ? 1 +4476 O O . PRO B 15 0.2735 0.8167 0.8725 -0.0648 0.0783 0.0801 16 PRO B O ? ? 1 +4477 N N . GLY B 16 0.2959 0.8199 0.8696 -0.0605 0.0824 0.0843 17 GLY B N ? ? 1 +4478 C CA . GLY B 16 0.2877 0.8206 0.8652 -0.0579 0.0811 0.0826 17 GLY B CA ? ? 1 +4479 C C . GLY B 16 0.2722 0.8140 0.8567 -0.0544 0.0725 0.0806 17 GLY B C ? ? 1 +4480 O O . GLY B 16 0.2618 0.8158 0.8580 -0.0548 0.0713 0.0781 17 GLY B O ? ? 1 +4481 N N . ARG B 17 0.2716 0.8071 0.8489 -0.0508 0.0666 0.0816 18 ARG B N ? ? 1 +4482 C CA . ARG B 17 0.2578 0.8011 0.8413 -0.0477 0.0587 0.0797 18 ARG B CA ? ? 1 +4483 C CB . ARG B 17 0.2646 0.7991 0.8362 -0.0427 0.0532 0.0812 18 ARG B CB ? ? 1 +4484 C CG . ARG B 17 0.2749 0.8036 0.8348 -0.0391 0.0539 0.0822 18 ARG B CG ? ? 1 +4485 C CD . ARG B 17 0.2790 0.8027 0.8300 -0.0338 0.0472 0.0826 18 ARG B CD ? ? 1 +4486 N NE . ARG B 17 0.2883 0.8081 0.8294 -0.0306 0.0477 0.0831 18 ARG B NE ? ? 1 +4487 C CZ . ARG B 17 0.2921 0.8089 0.8255 -0.0257 0.0419 0.0829 18 ARG B CZ ? ? 1 +4488 N NH1 . ARG B 17 0.2916 0.8064 0.8237 -0.0232 0.0358 0.0830 18 ARG B NH1 ? ? 1 +4489 N NH2 . ARG B 17 0.2955 0.8114 0.8229 -0.0233 0.0421 0.0826 18 ARG B NH2 ? ? 1 +4490 C C . ARG B 17 0.2438 0.7956 0.8409 -0.0506 0.0563 0.0779 18 ARG B C ? ? 1 +4491 O O . ARG B 17 0.2303 0.7919 0.8364 -0.0493 0.0515 0.0757 18 ARG B O ? ? 1 +4492 N N . LEU B 18 0.2469 0.7947 0.8452 -0.0546 0.0598 0.0787 19 LEU B N ? ? 1 +4493 C CA . LEU B 18 0.2351 0.7913 0.8467 -0.0579 0.0584 0.0767 19 LEU B CA ? ? 1 +4494 C CB . LEU B 18 0.2444 0.7930 0.8541 -0.0621 0.0624 0.0779 19 LEU B CB ? ? 1 +4495 C CG . LEU B 18 0.2357 0.7920 0.8583 -0.0658 0.0609 0.0758 19 LEU B CG ? ? 1 +4496 C CD1 . LEU B 18 0.2295 0.7856 0.8522 -0.0627 0.0537 0.0754 19 LEU B CD1 ? ? 1 +4497 C CD2 . LEU B 18 0.2449 0.7952 0.8673 -0.0712 0.0668 0.0766 19 LEU B CD2 ? ? 1 +4498 C C . LEU B 18 0.2234 0.7927 0.8479 -0.0602 0.0604 0.0742 19 LEU B C ? ? 1 +4499 O O . LEU B 18 0.2104 0.7898 0.8452 -0.0598 0.0560 0.0719 19 LEU B O ? ? 1 +4500 N N . ILE B 19 0.2278 0.7969 0.8514 -0.0624 0.0671 0.0746 20 ILE B N ? ? 1 +4501 C CA . ILE B 19 0.2185 0.7999 0.8538 -0.0639 0.0691 0.0722 20 ILE B CA ? ? 1 +4502 C CB . ILE B 19 0.2285 0.8077 0.8609 -0.0663 0.0775 0.0730 20 ILE B CB ? ? 1 +4503 C CG1 . ILE B 19 0.2360 0.8111 0.8700 -0.0720 0.0832 0.0737 20 ILE B CG1 ? ? 1 +4504 C CG2 . ILE B 19 0.2206 0.8121 0.8633 -0.0664 0.0790 0.0706 20 ILE B CG2 ? ? 1 +4505 C CD1 . ILE B 19 0.2490 0.8182 0.8767 -0.0742 0.0914 0.0752 20 ILE B CD1 ? ? 1 +4506 C C . ILE B 19 0.2073 0.7956 0.8447 -0.0593 0.0637 0.0708 20 ILE B C ? ? 1 +4507 O O . ILE B 19 0.1949 0.7945 0.8440 -0.0597 0.0614 0.0683 20 ILE B O ? ? 1 +4508 N N . ALA B 20 0.2122 0.7933 0.8378 -0.0550 0.0616 0.0723 21 ALA B N ? ? 1 +4509 C CA . ALA B 20 0.2032 0.7896 0.8298 -0.0508 0.0562 0.0710 21 ALA B CA ? ? 1 +4510 C CB . ALA B 20 0.2125 0.7892 0.8246 -0.0465 0.0546 0.0728 21 ALA B CB ? ? 1 +4511 C C . ALA B 20 0.1900 0.7827 0.8245 -0.0499 0.0494 0.0694 21 ALA B C ? ? 1 +4512 O O . ALA B 20 0.1793 0.7810 0.8213 -0.0486 0.0464 0.0673 21 ALA B O ? ? 1 +4513 N N . ALA B 21 0.1915 0.7790 0.8238 -0.0505 0.0472 0.0703 22 ALA B N ? ? 1 +4514 C CA . ALA B 21 0.1809 0.7735 0.8200 -0.0498 0.0411 0.0689 22 ALA B CA ? ? 1 +4515 C CB . ALA B 21 0.1862 0.7701 0.8190 -0.0496 0.0392 0.0705 22 ALA B CB ? ? 1 +4516 C C . ALA B 21 0.1713 0.7744 0.8244 -0.0533 0.0419 0.0667 22 ALA B C ? ? 1 +4517 O O . ALA B 21 0.1601 0.7710 0.8208 -0.0523 0.0374 0.0648 22 ALA B O ? ? 1 +4518 N N . HIS B 22 0.1768 0.7797 0.8330 -0.0575 0.0476 0.0668 23 HIS B N ? ? 1 +4519 C CA . HIS B 22 0.1691 0.7822 0.8387 -0.0611 0.0487 0.0645 23 HIS B CA ? ? 1 +4520 C CB . HIS B 22 0.1772 0.7870 0.8480 -0.0662 0.0549 0.0651 23 HIS B CB ? ? 1 +4521 C CG . HIS B 22 0.1821 0.7839 0.8490 -0.0677 0.0537 0.0663 23 HIS B CG ? ? 1 +4522 N ND1 . HIS B 22 0.1900 0.7872 0.8568 -0.0724 0.0588 0.0670 23 HIS B ND1 ? ? 1 +4523 C CE1 . HIS B 22 0.1937 0.7838 0.8562 -0.0724 0.0562 0.0679 23 HIS B CE1 ? ? 1 +4524 N NE2 . HIS B 22 0.1876 0.7781 0.8479 -0.0679 0.0497 0.0678 23 HIS B NE2 ? ? 1 +4525 C CD2 . HIS B 22 0.1807 0.7785 0.8437 -0.0651 0.0482 0.0668 23 HIS B CD2 ? ? 1 +4526 C C . HIS B 22 0.1617 0.7848 0.8384 -0.0599 0.0491 0.0626 23 HIS B C ? ? 1 +4527 O O . HIS B 22 0.1516 0.7843 0.8389 -0.0603 0.0463 0.0604 23 HIS B O ? ? 1 +4528 N N . LEU B 23 0.1673 0.7877 0.8375 -0.0581 0.0521 0.0636 24 LEU B N ? ? 1 +4529 C CA . LEU B 23 0.1614 0.7900 0.8366 -0.0562 0.0522 0.0619 24 LEU B CA ? ? 1 +4530 C CB . LEU B 23 0.1712 0.7945 0.8374 -0.0547 0.0568 0.0632 24 LEU B CB ? ? 1 +4531 C CG . LEU B 23 0.1802 0.8029 0.8478 -0.0586 0.0647 0.0637 24 LEU B CG ? ? 1 +4532 C CD1 . LEU B 23 0.1918 0.8071 0.8480 -0.0569 0.0693 0.0654 24 LEU B CD1 ? ? 1 +4533 C CD2 . LEU B 23 0.1726 0.8079 0.8543 -0.0608 0.0668 0.0610 24 LEU B CD2 ? ? 1 +4534 C C . LEU B 23 0.1513 0.7837 0.8279 -0.0524 0.0453 0.0608 24 LEU B C ? ? 1 +4535 O O . LEU B 23 0.1417 0.7834 0.8273 -0.0519 0.0435 0.0586 24 LEU B O ? ? 1 +4536 N N . MET B 24 0.1532 0.7784 0.8211 -0.0499 0.0413 0.0621 25 MET B N ? ? 1 +4537 C CA . MET B 24 0.1452 0.7735 0.8139 -0.0465 0.0352 0.0611 25 MET B CA ? ? 1 +4538 C CB . MET B 24 0.1518 0.7713 0.8095 -0.0436 0.0318 0.0627 25 MET B CB ? ? 1 +4539 C CG . MET B 24 0.1452 0.7676 0.8034 -0.0404 0.0258 0.0616 25 MET B CG ? ? 1 +4540 S SD . MET B 24 0.1441 0.7720 0.8038 -0.0381 0.0260 0.0600 25 MET B SD ? ? 1 +4541 C CE . MET B 24 0.1573 0.7758 0.8038 -0.0365 0.0296 0.0620 25 MET B CE ? ? 1 +4542 C C . MET B 24 0.1342 0.7694 0.8131 -0.0479 0.0317 0.0594 25 MET B C ? ? 1 +4543 O O . MET B 24 0.1266 0.7689 0.8115 -0.0465 0.0287 0.0576 25 MET B O ? ? 1 +4544 N N . HIS B 25 0.1348 0.7677 0.8153 -0.0507 0.0321 0.0599 26 HIS B N ? ? 1 +4545 C CA . HIS B 25 0.1260 0.7650 0.8157 -0.0522 0.0290 0.0582 26 HIS B CA ? ? 1 +4546 C CB . HIS B 25 0.1304 0.7646 0.8196 -0.0553 0.0301 0.0590 26 HIS B CB ? ? 1 +4547 C CG . HIS B 25 0.1227 0.7620 0.8200 -0.0565 0.0265 0.0574 26 HIS B CG ? ? 1 +4548 N ND1 . HIS B 25 0.1198 0.7654 0.8266 -0.0600 0.0282 0.0557 26 HIS B ND1 ? ? 1 +4549 C CE1 . HIS B 25 0.1135 0.7619 0.8248 -0.0600 0.0240 0.0545 26 HIS B CE1 ? ? 1 +4550 N NE2 . HIS B 25 0.1123 0.7568 0.8179 -0.0568 0.0200 0.0553 26 HIS B NE2 ? ? 1 +4551 C CD2 . HIS B 25 0.1178 0.7568 0.8148 -0.0546 0.0213 0.0570 26 HIS B CD2 ? ? 1 +4552 C C . HIS B 25 0.1194 0.7687 0.8201 -0.0537 0.0304 0.0560 26 HIS B C ? ? 1 +4553 O O . HIS B 25 0.1100 0.7659 0.8171 -0.0527 0.0266 0.0543 26 HIS B O ? ? 1 +4554 N N . THR B 26 0.1243 0.7749 0.8269 -0.0561 0.0360 0.0560 27 THR B N ? ? 1 +4555 C CA . THR B 26 0.1192 0.7800 0.8326 -0.0574 0.0377 0.0538 27 THR B CA ? ? 1 +4556 C CB . THR B 26 0.1268 0.7878 0.8418 -0.0606 0.0446 0.0540 27 THR B CB ? ? 1 +4557 O OG1 . THR B 26 0.1333 0.7875 0.8452 -0.0641 0.0470 0.0554 27 THR B OG1 ? ? 1 +4558 C CG2 . THR B 26 0.1219 0.7945 0.8497 -0.0624 0.0461 0.0514 27 THR B CG2 ? ? 1 +4559 C C . THR B 26 0.1139 0.7797 0.8284 -0.0535 0.0352 0.0527 27 THR B C ? ? 1 +4560 O O . THR B 26 0.1055 0.7796 0.8285 -0.0530 0.0328 0.0506 27 THR B O ? ? 1 +4561 N N . ALA B 27 0.1198 0.7800 0.8250 -0.0507 0.0357 0.0541 28 ALA B N ? ? 1 +4562 C CA . ALA B 27 0.1167 0.7799 0.8212 -0.0469 0.0332 0.0532 28 ALA B CA ? ? 1 +4563 C CB . ALA B 27 0.1235 0.7787 0.8165 -0.0444 0.0341 0.0549 28 ALA B CB ? ? 1 +4564 C C . ALA B 27 0.1096 0.7755 0.8169 -0.0452 0.0270 0.0521 28 ALA B C ? ? 1 +4565 O O . ALA B 27 0.1037 0.7759 0.8162 -0.0434 0.0250 0.0504 28 ALA B O ? ? 1 +4566 N N . LEU B 28 0.1112 0.7719 0.8146 -0.0454 0.0240 0.0531 29 LEU B N ? ? 1 +4567 C CA . LEU B 28 0.1055 0.7680 0.8108 -0.0439 0.0184 0.0523 29 LEU B CA ? ? 1 +4568 C CB . LEU B 28 0.1093 0.7648 0.8085 -0.0439 0.0160 0.0538 29 LEU B CB ? ? 1 +4569 C CG . LEU B 28 0.1165 0.7648 0.8055 -0.0414 0.0153 0.0553 29 LEU B CG ? ? 1 +4570 C CD1 . LEU B 28 0.1203 0.7620 0.8039 -0.0415 0.0135 0.0567 29 LEU B CD1 ? ? 1 +4571 C CD2 . LEU B 28 0.1129 0.7634 0.8012 -0.0384 0.0116 0.0543 29 LEU B CD2 ? ? 1 +4572 C C . LEU B 28 0.0981 0.7685 0.8138 -0.0455 0.0170 0.0504 29 LEU B C ? ? 1 +4573 O O . LEU B 28 0.0912 0.7659 0.8103 -0.0437 0.0135 0.0490 29 LEU B O ? ? 1 +4574 N N . VAL B 29 0.0994 0.7713 0.8198 -0.0489 0.0197 0.0502 30 VAL B N ? ? 1 +4575 C CA . VAL B 29 0.0937 0.7728 0.8238 -0.0506 0.0182 0.0482 30 VAL B CA ? ? 1 +4576 C CB . VAL B 29 0.0983 0.7763 0.8313 -0.0547 0.0208 0.0483 30 VAL B CB ? ? 1 +4577 C CG1 . VAL B 29 0.0939 0.7800 0.8375 -0.0567 0.0194 0.0459 30 VAL B CG1 ? ? 1 +4578 C CG2 . VAL B 29 0.1015 0.7710 0.8276 -0.0552 0.0193 0.0500 30 VAL B CG2 ? ? 1 +4579 C C . VAL B 29 0.0892 0.7768 0.8264 -0.0495 0.0189 0.0463 30 VAL B C ? ? 1 +4580 O O . VAL B 29 0.0838 0.7770 0.8267 -0.0485 0.0155 0.0446 30 VAL B O ? ? 1 +4581 N N . ALA B 30 0.0924 0.7808 0.8290 -0.0495 0.0234 0.0465 31 ALA B N ? ? 1 +4582 C CA . ALA B 30 0.0883 0.7845 0.8311 -0.0480 0.0244 0.0447 31 ALA B CA ? ? 1 +4583 C CB . ALA B 30 0.0944 0.7905 0.8361 -0.0487 0.0303 0.0452 31 ALA B CB ? ? 1 +4584 C C . ALA B 30 0.0838 0.7798 0.8232 -0.0437 0.0206 0.0445 31 ALA B C ? ? 1 +4585 O O . ALA B 30 0.0788 0.7813 0.8240 -0.0420 0.0186 0.0427 31 ALA B O ? ? 1 +4586 N N . GLY B 31 0.0856 0.7740 0.8155 -0.0421 0.0196 0.0462 32 GLY B N ? ? 1 +4587 C CA . GLY B 31 0.0816 0.7687 0.8077 -0.0386 0.0159 0.0459 32 GLY B CA ? ? 1 +4588 C C . GLY B 31 0.0736 0.7635 0.8036 -0.0381 0.0110 0.0448 32 GLY B C ? ? 1 +4589 O O . GLY B 31 0.0706 0.7634 0.8021 -0.0357 0.0086 0.0437 32 GLY B O ? ? 1 +4590 N N . TRP B 32 0.0710 0.7594 0.8021 -0.0404 0.0096 0.0452 33 TRP B N ? ? 1 +4591 C CA . TRP B 32 0.0644 0.7552 0.7992 -0.0402 0.0053 0.0442 33 TRP B CA ? ? 1 +4592 C CB . TRP B 32 0.0649 0.7527 0.7995 -0.0428 0.0045 0.0449 33 TRP B CB ? ? 1 +4593 C CG . TRP B 32 0.0605 0.7508 0.7987 -0.0427 0.0005 0.0437 33 TRP B CG ? ? 1 +4594 C CD1 . TRP B 32 0.0583 0.7462 0.7932 -0.0408 -0.0031 0.0438 33 TRP B CD1 ? ? 1 +4595 N NE1 . TRP B 32 0.0546 0.7456 0.7939 -0.0412 -0.0059 0.0425 33 TRP B NE1 ? ? 1 +4596 C CE2 . TRP B 32 0.0545 0.7505 0.8005 -0.0432 -0.0045 0.0413 33 TRP B CE2 ? ? 1 +4597 C CZ2 . TRP B 32 0.0522 0.7526 0.8043 -0.0441 -0.0066 0.0396 33 TRP B CZ2 ? ? 1 +4598 C CH2 . TRP B 32 0.0534 0.7590 0.8124 -0.0464 -0.0046 0.0384 33 TRP B CH2 ? ? 1 +4599 C CZ3 . TRP B 32 0.0569 0.7631 0.8167 -0.0478 -0.0002 0.0389 33 TRP B CZ3 ? ? 1 +4600 C CE3 . TRP B 32 0.0598 0.7609 0.8128 -0.0467 0.0021 0.0408 33 TRP B CE3 ? ? 1 +4601 C CD2 . TRP B 32 0.0585 0.7545 0.8045 -0.0443 -0.0003 0.0420 33 TRP B CD2 ? ? 1 +4602 C C . TRP B 32 0.0594 0.7584 0.8030 -0.0401 0.0048 0.0420 33 TRP B C ? ? 1 +4603 O O . TRP B 32 0.0546 0.7560 0.7997 -0.0380 0.0014 0.0410 33 TRP B O ? ? 1 +4604 N N . ALA B 33 0.0604 0.7637 0.8099 -0.0425 0.0080 0.0414 34 ALA B N ? ? 1 +4605 C CA . ALA B 33 0.0571 0.7691 0.8159 -0.0425 0.0074 0.0391 34 ALA B CA ? ? 1 +4606 C CB . ALA B 33 0.0597 0.7758 0.8246 -0.0457 0.0117 0.0385 34 ALA B CB ? ? 1 +4607 C C . ALA B 33 0.0555 0.7708 0.8147 -0.0386 0.0065 0.0381 34 ALA B C ? ? 1 +4608 O O . ALA B 33 0.0519 0.7713 0.8149 -0.0368 0.0032 0.0366 34 ALA B O ? ? 1 +4609 N N . GLY B 34 0.0596 0.7723 0.8142 -0.0372 0.0095 0.0391 35 GLY B N ? ? 1 +4610 C CA . GLY B 34 0.0606 0.7750 0.8141 -0.0334 0.0090 0.0383 35 GLY B CA ? ? 1 +4611 C C . GLY B 34 0.0593 0.7700 0.8079 -0.0308 0.0045 0.0385 35 GLY B C ? ? 1 +4612 O O . GLY B 34 0.0569 0.7710 0.8081 -0.0282 0.0021 0.0371 35 GLY B O ? ? 1 +4613 N N A SER B 35 0.0608 0.7644 0.8022 -0.0314 0.0034 0.0401 36 SER B N ? ? 1 +4614 N N B SER B 35 0.0609 0.7644 0.8022 -0.0314 0.0034 0.0401 36 SER B N ? ? 1 +4615 C CA A SER B 35 0.0599 0.7598 0.7966 -0.0294 -0.0005 0.0403 36 SER B CA ? ? 1 +4616 C CA B SER B 35 0.0599 0.7597 0.7966 -0.0294 -0.0005 0.0403 36 SER B CA ? ? 1 +4617 C C A SER B 35 0.0569 0.7600 0.7983 -0.0295 -0.0040 0.0391 36 SER B C ? ? 1 +4618 C C B SER B 35 0.0569 0.7600 0.7983 -0.0295 -0.0040 0.0391 36 SER B C ? ? 1 +4619 O O A SER B 35 0.0555 0.7589 0.7962 -0.0270 -0.0066 0.0384 36 SER B O ? ? 1 +4620 O O B SER B 35 0.0555 0.7589 0.7962 -0.0270 -0.0066 0.0384 36 SER B O ? ? 1 +4621 C CB A SER B 35 0.0616 0.7540 0.7906 -0.0301 -0.0009 0.0420 36 SER B CB ? ? 1 +4622 C CB B SER B 35 0.0613 0.7540 0.7909 -0.0305 -0.0010 0.0420 36 SER B CB ? ? 1 +4623 O OG A SER B 35 0.0615 0.7523 0.7909 -0.0330 -0.0005 0.0429 36 SER B OG ? ? 1 +4624 O OG B SER B 35 0.0658 0.7551 0.7905 -0.0304 0.0022 0.0431 36 SER B OG ? ? 1 +4625 N N . MET B 36 0.0573 0.7625 0.8031 -0.0322 -0.0041 0.0390 37 MET B N ? ? 1 +4626 C CA . MET B 36 0.0568 0.7646 0.8065 -0.0324 -0.0075 0.0378 37 MET B CA ? ? 1 +4627 C CB . MET B 36 0.0568 0.7656 0.8103 -0.0360 -0.0072 0.0377 37 MET B CB ? ? 1 +4628 C CG . MET B 36 0.0540 0.7639 0.8097 -0.0361 -0.0110 0.0367 37 MET B CG ? ? 1 +4629 S SD . MET B 36 0.0546 0.7566 0.8022 -0.0357 -0.0135 0.0382 37 MET B SD ? ? 1 +4630 C CE . MET B 36 0.0531 0.7558 0.7994 -0.0322 -0.0167 0.0373 37 MET B CE ? ? 1 +4631 C C . MET B 36 0.0591 0.7735 0.8145 -0.0302 -0.0086 0.0359 37 MET B C ? ? 1 +4632 O O . MET B 36 0.0578 0.7723 0.8129 -0.0283 -0.0120 0.0351 37 MET B O ? ? 1 +4633 N N . ALA B 37 0.0643 0.7838 0.8247 -0.0303 -0.0056 0.0351 38 ALA B N ? ? 1 +4634 C CA . ALA B 37 0.0675 0.7940 0.8339 -0.0279 -0.0065 0.0331 38 ALA B CA ? ? 1 +4635 C CB . ALA B 37 0.0690 0.8017 0.8418 -0.0288 -0.0024 0.0322 38 ALA B CB ? ? 1 +4636 C C . ALA B 37 0.0733 0.7971 0.8347 -0.0237 -0.0081 0.0331 38 ALA B C ? ? 1 +4637 O O . ALA B 37 0.0736 0.7994 0.8363 -0.0213 -0.0113 0.0319 38 ALA B O ? ? 1 +4638 N N . LEU B 38 0.0822 0.8010 0.8373 -0.0230 -0.0060 0.0344 39 LEU B N ? ? 1 +4639 C CA . LEU B 38 0.0905 0.8060 0.8403 -0.0193 -0.0072 0.0344 39 LEU B CA ? ? 1 +4640 C CB . LEU B 38 0.0966 0.8068 0.8397 -0.0192 -0.0044 0.0358 39 LEU B CB ? ? 1 +4641 C CG . LEU B 38 0.1023 0.8162 0.8483 -0.0190 0.0000 0.0354 39 LEU B CG ? ? 1 +4642 C CD1 . LEU B 38 0.1081 0.8158 0.8465 -0.0191 0.0025 0.0369 39 LEU B CD1 ? ? 1 +4643 C CD2 . LEU B 38 0.1037 0.8231 0.8540 -0.0154 -0.0001 0.0336 39 LEU B CD2 ? ? 1 +4644 C C . LEU B 38 0.0940 0.8049 0.8393 -0.0184 -0.0112 0.0347 39 LEU B C ? ? 1 +4645 O O . LEU B 38 0.0984 0.8084 0.8417 -0.0153 -0.0131 0.0341 39 LEU B O ? ? 1 +4646 N N . TYR B 39 0.0961 0.8039 0.8396 -0.0211 -0.0123 0.0357 40 TYR B N ? ? 1 +4647 C CA . TYR B 39 0.0975 0.8009 0.8369 -0.0206 -0.0157 0.0360 40 TYR B CA ? ? 1 +4648 C CB . TYR B 39 0.1000 0.7994 0.8366 -0.0236 -0.0158 0.0373 40 TYR B CB ? ? 1 +4649 C CG . TYR B 39 0.1028 0.7985 0.8362 -0.0235 -0.0189 0.0374 40 TYR B CG ? ? 1 +4650 C CD1 . TYR B 39 0.1086 0.7989 0.8358 -0.0225 -0.0196 0.0381 40 TYR B CD1 ? ? 1 +4651 C CD2 . TYR B 39 0.1037 0.8014 0.8404 -0.0246 -0.0208 0.0368 40 TYR B CD2 ? ? 1 +4652 C CE1 . TYR B 39 0.1116 0.7985 0.8359 -0.0228 -0.0219 0.0382 40 TYR B CE1 ? ? 1 +4653 C CE2 . TYR B 39 0.1053 0.7994 0.8387 -0.0245 -0.0233 0.0370 40 TYR B CE2 ? ? 1 +4654 C CZ . TYR B 39 0.1089 0.7977 0.8363 -0.0237 -0.0236 0.0377 40 TYR B CZ ? ? 1 +4655 O OH . TYR B 39 0.1069 0.7923 0.8312 -0.0239 -0.0255 0.0379 40 TYR B OH ? ? 1 +4656 C C . TYR B 39 0.0938 0.8013 0.8377 -0.0196 -0.0185 0.0345 40 TYR B C ? ? 1 +4657 O O . TYR B 39 0.0924 0.7974 0.8332 -0.0174 -0.0211 0.0343 40 TYR B O ? ? 1 +4658 N N . GLU B 40 0.0945 0.8080 0.8455 -0.0213 -0.0181 0.0336 41 GLU B N ? ? 1 +4659 C CA . GLU B 40 0.0942 0.8123 0.8501 -0.0202 -0.0209 0.0319 41 GLU B CA ? ? 1 +4660 C CB . GLU B 40 0.0910 0.8151 0.8547 -0.0231 -0.0201 0.0309 41 GLU B CB ? ? 1 +4661 C CG . GLU B 40 0.0892 0.8097 0.8512 -0.0267 -0.0202 0.0319 41 GLU B CG ? ? 1 +4662 C CD . GLU B 40 0.0884 0.8140 0.8575 -0.0297 -0.0200 0.0307 41 GLU B CD ? ? 1 +4663 O OE1 . GLU B 40 0.0882 0.8210 0.8644 -0.0292 -0.0204 0.0288 41 GLU B OE1 ? ? 1 +4664 O OE2 . GLU B 40 0.0905 0.8128 0.8581 -0.0326 -0.0196 0.0316 41 GLU B OE2 ? ? 1 +4665 C C . GLU B 40 0.0977 0.8188 0.8549 -0.0161 -0.0219 0.0306 41 GLU B C ? ? 1 +4666 O O . GLU B 40 0.0976 0.8181 0.8535 -0.0138 -0.0251 0.0299 41 GLU B O ? ? 1 +4667 N N . LEU B 41 0.1041 0.8277 0.8629 -0.0150 -0.0189 0.0305 42 LEU B N ? ? 1 +4668 C CA . LEU B 41 0.1110 0.8375 0.8710 -0.0108 -0.0196 0.0292 42 LEU B CA ? ? 1 +4669 C CB . LEU B 41 0.1135 0.8440 0.8768 -0.0104 -0.0155 0.0289 42 LEU B CB ? ? 1 +4670 C CG . LEU B 41 0.1123 0.8517 0.8856 -0.0127 -0.0137 0.0275 42 LEU B CG ? ? 1 +4671 C CD1 . LEU B 41 0.1152 0.8579 0.8911 -0.0124 -0.0091 0.0274 42 LEU B CD1 ? ? 1 +4672 C CD2 . LEU B 41 0.1131 0.8594 0.8931 -0.0106 -0.0171 0.0253 42 LEU B CD2 ? ? 1 +4673 C C . LEU B 41 0.1182 0.8373 0.8696 -0.0078 -0.0213 0.0300 42 LEU B C ? ? 1 +4674 O O . LEU B 41 0.1207 0.8402 0.8716 -0.0042 -0.0236 0.0290 42 LEU B O ? ? 1 +4675 N N . ALA B 42 0.1275 0.8395 0.8720 -0.0094 -0.0203 0.0317 43 ALA B N ? ? 1 +4676 C CA . ALA B 42 0.1350 0.8395 0.8714 -0.0074 -0.0218 0.0324 43 ALA B CA ? ? 1 +4677 C CB . ALA B 42 0.1353 0.8338 0.8658 -0.0095 -0.0199 0.0340 43 ALA B CB ? ? 1 +4678 C C . ALA B 42 0.1411 0.8425 0.8749 -0.0070 -0.0253 0.0324 43 ALA B C ? ? 1 +4679 O O . ALA B 42 0.1535 0.8490 0.8809 -0.0051 -0.0265 0.0327 43 ALA B O ? ? 1 +4680 N N . THR B 43 0.1418 0.8466 0.8800 -0.0091 -0.0267 0.0320 44 THR B N ? ? 1 +4681 C CA . THR B 43 0.1436 0.8452 0.8789 -0.0090 -0.0297 0.0320 44 THR B CA ? ? 1 +4682 C CB . THR B 43 0.1412 0.8400 0.8751 -0.0129 -0.0293 0.0331 44 THR B CB ? ? 1 +4683 O OG1 . THR B 43 0.1365 0.8406 0.8768 -0.0156 -0.0282 0.0328 44 THR B OG1 ? ? 1 +4684 C CG2 . THR B 43 0.1430 0.8363 0.8715 -0.0142 -0.0273 0.0346 44 THR B CG2 ? ? 1 +4685 C C . THR B 43 0.1458 0.8530 0.8864 -0.0075 -0.0325 0.0303 44 THR B C ? ? 1 +4686 O O . THR B 43 0.1523 0.8566 0.8898 -0.0066 -0.0353 0.0301 44 THR B O ? ? 1 +4687 N N . PHE B 44 0.1450 0.8600 0.8933 -0.0073 -0.0317 0.0290 45 PHE B N ? ? 1 +4688 C CA . PHE B 44 0.1415 0.8630 0.8960 -0.0061 -0.0344 0.0270 45 PHE B CA ? ? 1 +4689 C CB . PHE B 44 0.1356 0.8662 0.8998 -0.0075 -0.0324 0.0257 45 PHE B CB ? ? 1 +4690 C CG . PHE B 44 0.1317 0.8702 0.9035 -0.0066 -0.0352 0.0233 45 PHE B CG ? ? 1 +4691 C CD1 . PHE B 44 0.1297 0.8679 0.9021 -0.0084 -0.0380 0.0228 45 PHE B CD1 ? ? 1 +4692 C CD2 . PHE B 44 0.1317 0.8780 0.9104 -0.0040 -0.0351 0.0215 45 PHE B CD2 ? ? 1 +4693 C CE1 . PHE B 44 0.1301 0.8758 0.9097 -0.0077 -0.0409 0.0203 45 PHE B CE1 ? ? 1 +4694 C CE2 . PHE B 44 0.1295 0.8839 0.9160 -0.0032 -0.0380 0.0190 45 PHE B CE2 ? ? 1 +4695 C CZ . PHE B 44 0.1274 0.8813 0.9142 -0.0051 -0.0410 0.0184 45 PHE B CZ ? ? 1 +4696 C C . PHE B 44 0.1514 0.8722 0.9034 -0.0010 -0.0371 0.0261 45 PHE B C ? ? 1 +4697 O O . PHE B 44 0.1597 0.8803 0.9105 0.0018 -0.0358 0.0261 45 PHE B O ? ? 1 +4698 N N . ASP B 45 0.1581 0.8784 0.9091 0.0004 -0.0409 0.0253 46 ASP B N ? ? 1 +4699 C CA . ASP B 45 0.1691 0.8899 0.9187 0.0056 -0.0439 0.0241 46 ASP B CA ? ? 1 +4700 C CB . ASP B 45 0.1786 0.8917 0.9199 0.0069 -0.0470 0.0247 46 ASP B CB ? ? 1 +4701 C CG . ASP B 45 0.1964 0.9086 0.9348 0.0125 -0.0503 0.0236 46 ASP B CG ? ? 1 +4702 O OD1 . ASP B 45 0.1981 0.9163 0.9416 0.0156 -0.0505 0.0222 46 ASP B OD1 ? ? 1 +4703 O OD2 . ASP B 45 0.2167 0.9219 0.9475 0.0140 -0.0527 0.0242 46 ASP B OD2 ? ? 1 +4704 C C . ASP B 45 0.1681 0.8994 0.9277 0.0067 -0.0458 0.0215 46 ASP B C ? ? 1 +4705 O O . ASP B 45 0.1725 0.9071 0.9358 0.0048 -0.0480 0.0204 46 ASP B O ? ? 1 +4706 N N . PRO B 46 0.1679 0.9054 0.9327 0.0097 -0.0451 0.0202 47 PRO B N ? ? 1 +4707 C CA . PRO B 46 0.1603 0.9087 0.9355 0.0108 -0.0469 0.0175 47 PRO B CA ? ? 1 +4708 C CB . PRO B 46 0.1617 0.9154 0.9421 0.0116 -0.0431 0.0171 47 PRO B CB ? ? 1 +4709 C CG . PRO B 46 0.1660 0.9108 0.9367 0.0147 -0.0419 0.0189 47 PRO B CG ? ? 1 +4710 C CD . PRO B 46 0.1697 0.9042 0.9310 0.0120 -0.0422 0.0211 47 PRO B CD ? ? 1 +4711 C C . PRO B 46 0.1624 0.9122 0.9369 0.0161 -0.0519 0.0157 47 PRO B C ? ? 1 +4712 O O . PRO B 46 0.1643 0.9238 0.9477 0.0178 -0.0539 0.0132 47 PRO B O ? ? 1 +4713 N N . SER B 47 0.1645 0.9045 0.9283 0.0188 -0.0540 0.0171 48 SER B N ? ? 1 +4714 C CA . SER B 47 0.1669 0.9063 0.9277 0.0248 -0.0584 0.0158 48 SER B CA ? ? 1 +4715 C CB . SER B 47 0.1757 0.9024 0.9234 0.0274 -0.0585 0.0180 48 SER B CB ? ? 1 +4716 O OG . SER B 47 0.1764 0.8955 0.9173 0.0240 -0.0588 0.0196 48 SER B OG ? ? 1 +4717 C C . SER B 47 0.1645 0.9066 0.9272 0.0253 -0.0633 0.0141 48 SER B C ? ? 1 +4718 O O . SER B 47 0.1737 0.9155 0.9339 0.0305 -0.0673 0.0129 48 SER B O ? ? 1 +4719 N N . ASP B 48 0.1612 0.9051 0.9271 0.0201 -0.0632 0.0140 49 ASP B N ? ? 1 +4720 C CA . ASP B 48 0.1628 0.9092 0.9303 0.0202 -0.0678 0.0122 49 ASP B CA ? ? 1 +4721 C CB . ASP B 48 0.1674 0.9025 0.9227 0.0211 -0.0700 0.0138 49 ASP B CB ? ? 1 +4722 C CG . ASP B 48 0.1724 0.9093 0.9280 0.0225 -0.0754 0.0117 49 ASP B CG ? ? 1 +4723 O OD1 . ASP B 48 0.1649 0.9122 0.9308 0.0220 -0.0774 0.0090 49 ASP B OD1 ? ? 1 +4724 O OD2 . ASP B 48 0.1923 0.9203 0.9378 0.0240 -0.0774 0.0127 49 ASP B OD2 ? ? 1 +4725 C C . ASP B 48 0.1585 0.9119 0.9351 0.0144 -0.0667 0.0111 49 ASP B C ? ? 1 +4726 O O . ASP B 48 0.1500 0.8983 0.9230 0.0102 -0.0656 0.0124 49 ASP B O ? ? 1 +4727 N N . PRO B 49 0.1585 0.9239 0.9473 0.0140 -0.0670 0.0085 50 PRO B N ? ? 1 +4728 C CA . PRO B 49 0.1517 0.9238 0.9494 0.0085 -0.0663 0.0070 50 PRO B CA ? ? 1 +4729 C CB . PRO B 49 0.1541 0.9393 0.9647 0.0095 -0.0661 0.0042 50 PRO B CB ? ? 1 +4730 C CG . PRO B 49 0.1573 0.9414 0.9651 0.0148 -0.0650 0.0049 50 PRO B CG ? ? 1 +4731 C CD . PRO B 49 0.1609 0.9337 0.9555 0.0188 -0.0676 0.0067 50 PRO B CD ? ? 1 +4732 C C . PRO B 49 0.1496 0.9209 0.9461 0.0074 -0.0708 0.0056 50 PRO B C ? ? 1 +4733 O O . PRO B 49 0.1531 0.9268 0.9543 0.0023 -0.0699 0.0050 50 PRO B O ? ? 1 +4734 N N . VAL B 50 0.1477 0.9151 0.9376 0.0124 -0.0757 0.0051 51 VAL B N ? ? 1 +4735 C CA . VAL B 50 0.1435 0.9105 0.9321 0.0122 -0.0805 0.0034 51 VAL B CA ? ? 1 +4736 C CB . VAL B 50 0.1506 0.9181 0.9361 0.0190 -0.0862 0.0016 51 VAL B CB ? ? 1 +4737 C CG1 . VAL B 50 0.1562 0.9207 0.9373 0.0193 -0.0913 0.0003 51 VAL B CG1 ? ? 1 +4738 C CG2 . VAL B 50 0.1487 0.9292 0.9464 0.0216 -0.0878 -0.0014 51 VAL B CG2 ? ? 1 +4739 C C . VAL B 50 0.1380 0.8938 0.9163 0.0093 -0.0796 0.0057 51 VAL B C ? ? 1 +4740 O O . VAL B 50 0.1362 0.8929 0.9170 0.0049 -0.0798 0.0050 51 VAL B O ? ? 1 +4741 N N . LEU B 51 0.1345 0.8799 0.9014 0.0117 -0.0786 0.0084 52 LEU B N ? ? 1 +4742 C CA . LEU B 51 0.1295 0.8644 0.8864 0.0095 -0.0777 0.0106 52 LEU B CA ? ? 1 +4743 C CB . LEU B 51 0.1374 0.8633 0.8825 0.0145 -0.0810 0.0113 52 LEU B CB ? ? 1 +4744 C CG . LEU B 51 0.1427 0.8715 0.8880 0.0181 -0.0871 0.0086 52 LEU B CG ? ? 1 +4745 C CD1 . LEU B 51 0.1517 0.8698 0.8835 0.0228 -0.0897 0.0098 52 LEU B CD1 ? ? 1 +4746 C CD2 . LEU B 51 0.1412 0.8734 0.8909 0.0141 -0.0889 0.0068 52 LEU B CD2 ? ? 1 +4747 C C . LEU B 51 0.1201 0.8494 0.8738 0.0061 -0.0722 0.0136 52 LEU B C ? ? 1 +4748 O O . LEU B 51 0.1255 0.8470 0.8721 0.0039 -0.0710 0.0153 52 LEU B O ? ? 1 +4749 N N . ASN B 52 0.1099 0.8434 0.8687 0.0058 -0.0688 0.0141 53 ASN B N ? ? 1 +4750 C CA . ASN B 52 0.0988 0.8282 0.8556 0.0023 -0.0637 0.0166 53 ASN B CA ? ? 1 +4751 C CB . ASN B 52 0.0992 0.8213 0.8477 0.0055 -0.0623 0.0186 53 ASN B CB ? ? 1 +4752 C CG . ASN B 52 0.0931 0.8092 0.8375 0.0019 -0.0579 0.0212 53 ASN B CG ? ? 1 +4753 O OD1 . ASN B 52 0.0847 0.7996 0.8297 -0.0024 -0.0564 0.0218 53 ASN B OD1 ? ? 1 +4754 N ND2 . ASN B 52 0.0941 0.8064 0.8343 0.0038 -0.0559 0.0226 53 ASN B ND2 ? ? 1 +4755 C C . ASN B 52 0.0932 0.8307 0.8601 -0.0008 -0.0603 0.0161 53 ASN B C ? ? 1 +4756 O O . ASN B 52 0.0896 0.8271 0.8567 -0.0003 -0.0571 0.0172 53 ASN B O ? ? 1 +4757 N N . PRO B 53 0.0938 0.8380 0.8689 -0.0043 -0.0608 0.0143 54 PRO B N ? ? 1 +4758 C CA . PRO B 53 0.0910 0.8426 0.8755 -0.0077 -0.0572 0.0138 54 PRO B CA ? ? 1 +4759 C CB . PRO B 53 0.0902 0.8488 0.8828 -0.0102 -0.0597 0.0110 54 PRO B CB ? ? 1 +4760 C CG . PRO B 53 0.0924 0.8440 0.8774 -0.0103 -0.0629 0.0113 54 PRO B CG ? ? 1 +4761 C CD . PRO B 53 0.0965 0.8413 0.8720 -0.0052 -0.0647 0.0125 54 PRO B CD ? ? 1 +4762 C C . PRO B 53 0.0909 0.8370 0.8721 -0.0117 -0.0525 0.0164 54 PRO B C ? ? 1 +4763 O O . PRO B 53 0.0921 0.8298 0.8651 -0.0125 -0.0524 0.0182 54 PRO B O ? ? 1 +4764 N N . MET B 54 0.0882 0.8393 0.8760 -0.0143 -0.0487 0.0164 55 MET B N ? ? 1 +4765 C CA . MET B 54 0.0860 0.8324 0.8708 -0.0175 -0.0442 0.0189 55 MET B CA ? ? 1 +4766 C CB . MET B 54 0.0860 0.8392 0.8792 -0.0204 -0.0403 0.0184 55 MET B CB ? ? 1 +4767 C CG . MET B 54 0.0888 0.8491 0.8909 -0.0236 -0.0411 0.0160 55 MET B CG ? ? 1 +4768 S SD . MET B 54 0.0938 0.8617 0.9055 -0.0270 -0.0358 0.0155 55 MET B SD ? ? 1 +4769 C CE . MET B 54 0.0960 0.8721 0.9133 -0.0220 -0.0369 0.0135 55 MET B CE ? ? 1 +4770 C C . MET B 54 0.0842 0.8243 0.8644 -0.0209 -0.0443 0.0200 55 MET B C ? ? 1 +4771 O O . MET B 54 0.0828 0.8159 0.8564 -0.0217 -0.0423 0.0223 55 MET B O ? ? 1 +4772 N N . TRP B 55 0.0809 0.8239 0.8650 -0.0228 -0.0468 0.0182 56 TRP B N ? ? 1 +4773 C CA . TRP B 55 0.0791 0.8169 0.8599 -0.0263 -0.0465 0.0190 56 TRP B CA ? ? 1 +4774 C CB . TRP B 55 0.0759 0.8187 0.8635 -0.0291 -0.0484 0.0165 56 TRP B CB ? ? 1 +4775 C CG . TRP B 55 0.0756 0.8233 0.8661 -0.0264 -0.0531 0.0138 56 TRP B CG ? ? 1 +4776 C CD1 . TRP B 55 0.0740 0.8310 0.8732 -0.0253 -0.0544 0.0114 56 TRP B CD1 ? ? 1 +4777 N NE1 . TRP B 55 0.0755 0.8346 0.8748 -0.0225 -0.0595 0.0092 56 TRP B NE1 ? ? 1 +4778 C CE2 . TRP B 55 0.0764 0.8272 0.8668 -0.0220 -0.0615 0.0102 56 TRP B CE2 ? ? 1 +4779 C CZ2 . TRP B 55 0.0791 0.8279 0.8654 -0.0195 -0.0664 0.0088 56 TRP B CZ2 ? ? 1 +4780 C CH2 . TRP B 55 0.0827 0.8221 0.8595 -0.0197 -0.0668 0.0103 56 TRP B CH2 ? ? 1 +4781 C CZ3 . TRP B 55 0.0796 0.8124 0.8516 -0.0223 -0.0627 0.0131 56 TRP B CZ3 ? ? 1 +4782 C CE3 . TRP B 55 0.0766 0.8114 0.8526 -0.0247 -0.0582 0.0145 56 TRP B CE3 ? ? 1 +4783 C CD2 . TRP B 55 0.0766 0.8202 0.8616 -0.0246 -0.0575 0.0131 56 TRP B CD2 ? ? 1 +4784 C C . TRP B 55 0.0821 0.8115 0.8532 -0.0244 -0.0486 0.0202 56 TRP B C ? ? 1 +4785 O O . TRP B 55 0.0815 0.8062 0.8493 -0.0269 -0.0482 0.0210 56 TRP B O ? ? 1 +4786 N N . ARG B 56 0.0865 0.8144 0.8534 -0.0200 -0.0509 0.0202 57 ARG B N ? ? 1 +4787 C CA . ARG B 56 0.0888 0.8085 0.8462 -0.0181 -0.0523 0.0215 57 ARG B CA ? ? 1 +4788 C CB . ARG B 56 0.0935 0.8134 0.8483 -0.0134 -0.0562 0.0202 57 ARG B CB ? ? 1 +4789 C CG . ARG B 56 0.0966 0.8204 0.8547 -0.0130 -0.0604 0.0176 57 ARG B CG ? ? 1 +4790 C CD . ARG B 56 0.1004 0.8175 0.8518 -0.0140 -0.0620 0.0179 57 ARG B CD ? ? 1 +4791 N NE . ARG B 56 0.1059 0.8148 0.8471 -0.0109 -0.0626 0.0195 57 ARG B NE ? ? 1 +4792 C CZ . ARG B 56 0.1065 0.8079 0.8402 -0.0117 -0.0626 0.0205 57 ARG B CZ ? ? 1 +4793 N NH1 . ARG B 56 0.1054 0.8063 0.8397 -0.0144 -0.0633 0.0197 57 ARG B NH1 ? ? 1 +4794 N NH2 . ARG B 56 0.1098 0.8037 0.8349 -0.0097 -0.0616 0.0223 57 ARG B NH2 ? ? 1 +4795 C C . ARG B 56 0.0895 0.8036 0.8413 -0.0178 -0.0490 0.0240 57 ARG B C ? ? 1 +4796 O O . ARG B 56 0.0914 0.7983 0.8357 -0.0174 -0.0490 0.0254 57 ARG B O ? ? 1 +4797 N N . GLN B 57 0.0886 0.8062 0.8444 -0.0181 -0.0463 0.0244 58 GLN B N ? ? 1 +4798 C CA . GLN B 57 0.0871 0.8004 0.8382 -0.0173 -0.0436 0.0264 58 GLN B CA ? ? 1 +4799 C CB . GLN B 57 0.0888 0.8067 0.8431 -0.0143 -0.0431 0.0257 58 GLN B CB ? ? 1 +4800 C CG . GLN B 57 0.0934 0.8114 0.8456 -0.0098 -0.0467 0.0245 58 GLN B CG ? ? 1 +4801 C CD . GLN B 57 0.0982 0.8197 0.8527 -0.0065 -0.0459 0.0241 58 GLN B CD ? ? 1 +4802 O OE1 . GLN B 57 0.1009 0.8193 0.8523 -0.0062 -0.0432 0.0255 58 GLN B OE1 ? ? 1 +4803 N NE2 . GLN B 57 0.1009 0.8293 0.8610 -0.0038 -0.0484 0.0219 58 GLN B NE2 ? ? 1 +4804 C C . GLN B 57 0.0832 0.7951 0.8348 -0.0209 -0.0399 0.0279 58 GLN B C ? ? 1 +4805 O O . GLN B 57 0.0824 0.7917 0.8311 -0.0206 -0.0376 0.0294 58 GLN B O ? ? 1 +4806 N N . GLY B 58 0.0825 0.7954 0.8371 -0.0243 -0.0396 0.0276 59 GLY B N ? ? 1 +4807 C CA . GLY B 58 0.0818 0.7926 0.8362 -0.0275 -0.0364 0.0291 59 GLY B CA ? ? 1 +4808 C C . GLY B 58 0.0831 0.7983 0.8425 -0.0287 -0.0333 0.0292 59 GLY B C ? ? 1 +4809 O O . GLY B 58 0.0819 0.7943 0.8392 -0.0302 -0.0304 0.0308 59 GLY B O ? ? 1 +4810 N N . MET B 59 0.0850 0.8073 0.8512 -0.0280 -0.0338 0.0274 60 MET B N ? ? 1 +4811 C CA . MET B 59 0.0865 0.8135 0.8578 -0.0289 -0.0306 0.0274 60 MET B CA ? ? 1 +4812 C CB . MET B 59 0.0924 0.8268 0.8696 -0.0261 -0.0318 0.0253 60 MET B CB ? ? 1 +4813 C CG . MET B 59 0.0990 0.8311 0.8713 -0.0215 -0.0334 0.0256 60 MET B CG ? ? 1 +4814 S SD . MET B 59 0.1127 0.8394 0.8788 -0.0207 -0.0298 0.0279 60 MET B SD ? ? 1 +4815 C CE . MET B 59 0.1147 0.8330 0.8712 -0.0183 -0.0323 0.0291 60 MET B CE ? ? 1 +4816 C C . MET B 59 0.0831 0.8118 0.8589 -0.0332 -0.0286 0.0271 60 MET B C ? ? 1 +4817 O O . MET B 59 0.0844 0.8156 0.8638 -0.0348 -0.0306 0.0256 60 MET B O ? ? 1 +4818 N N . PHE B 60 0.0807 0.8079 0.8558 -0.0352 -0.0247 0.0286 61 PHE B N ? ? 1 +4819 C CA . PHE B 60 0.0800 0.8069 0.8577 -0.0394 -0.0225 0.0288 61 PHE B CA ? ? 1 +4820 C CB . PHE B 60 0.0784 0.7975 0.8490 -0.0405 -0.0208 0.0313 61 PHE B CB ? ? 1 +4821 C CG . PHE B 60 0.0784 0.7953 0.8498 -0.0444 -0.0189 0.0317 61 PHE B CG ? ? 1 +4822 C CD1 . PHE B 60 0.0804 0.7980 0.8545 -0.0464 -0.0209 0.0304 61 PHE B CD1 ? ? 1 +4823 C CD2 . PHE B 60 0.0798 0.7930 0.8482 -0.0459 -0.0153 0.0336 61 PHE B CD2 ? ? 1 +4824 C CE1 . PHE B 60 0.0836 0.7983 0.8578 -0.0500 -0.0191 0.0309 61 PHE B CE1 ? ? 1 +4825 C CE2 . PHE B 60 0.0836 0.7936 0.8518 -0.0493 -0.0136 0.0342 61 PHE B CE2 ? ? 1 +4826 C CZ . PHE B 60 0.0852 0.7959 0.8564 -0.0514 -0.0154 0.0328 61 PHE B CZ ? ? 1 +4827 C C . PHE B 60 0.0828 0.8153 0.8671 -0.0412 -0.0190 0.0282 61 PHE B C ? ? 1 +4828 O O . PHE B 60 0.0804 0.8162 0.8704 -0.0445 -0.0183 0.0269 61 PHE B O ? ? 1 +4829 N N . VAL B 61 0.0883 0.8213 0.8713 -0.0395 -0.0164 0.0290 62 VAL B N ? ? 1 +4830 C CA . VAL B 61 0.0949 0.8329 0.8835 -0.0409 -0.0125 0.0285 62 VAL B CA ? ? 1 +4831 C CB . VAL B 61 0.0978 0.8314 0.8808 -0.0402 -0.0087 0.0307 62 VAL B CB ? ? 1 +4832 C CG1 . VAL B 61 0.1005 0.8263 0.8772 -0.0428 -0.0072 0.0329 62 VAL B CG1 ? ? 1 +4833 C CG2 . VAL B 61 0.0973 0.8285 0.8749 -0.0358 -0.0104 0.0312 62 VAL B CG2 ? ? 1 +4834 C C . VAL B 61 0.0970 0.8441 0.8935 -0.0388 -0.0135 0.0261 62 VAL B C ? ? 1 +4835 O O . VAL B 61 0.0977 0.8513 0.9018 -0.0408 -0.0111 0.0247 62 VAL B O ? ? 1 +4836 N N . LEU B 62 0.1036 0.8511 0.8981 -0.0347 -0.0171 0.0255 63 LEU B N ? ? 1 +4837 C CA . LEU B 62 0.1109 0.8665 0.9120 -0.0318 -0.0187 0.0231 63 LEU B CA ? ? 1 +4838 C CB . LEU B 62 0.1229 0.8757 0.9189 -0.0273 -0.0231 0.0230 63 LEU B CB ? ? 1 +4839 C CG . LEU B 62 0.1400 0.8966 0.9373 -0.0228 -0.0234 0.0221 63 LEU B CG ? ? 1 +4840 C CD1 . LEU B 62 0.1484 0.9010 0.9408 -0.0219 -0.0195 0.0240 63 LEU B CD1 ? ? 1 +4841 C CD2 . LEU B 62 0.1475 0.9011 0.9399 -0.0186 -0.0279 0.0219 63 LEU B CD2 ? ? 1 +4842 C C . LEU B 62 0.1061 0.8697 0.9171 -0.0344 -0.0199 0.0205 63 LEU B C ? ? 1 +4843 O O . LEU B 62 0.1012 0.8731 0.9203 -0.0342 -0.0184 0.0186 63 LEU B O ? ? 1 +4844 N N . PRO B 63 0.1005 0.8619 0.9110 -0.0367 -0.0225 0.0201 64 PRO B N ? ? 1 +4845 C CA . PRO B 63 0.0945 0.8630 0.9140 -0.0395 -0.0238 0.0174 64 PRO B CA ? ? 1 +4846 C CB . PRO B 63 0.0945 0.8571 0.9094 -0.0412 -0.0268 0.0177 64 PRO B CB ? ? 1 +4847 C CG . PRO B 63 0.0976 0.8502 0.9020 -0.0404 -0.0258 0.0208 64 PRO B CG ? ? 1 +4848 C CD . PRO B 63 0.0991 0.8514 0.9005 -0.0366 -0.0245 0.0219 64 PRO B CD ? ? 1 +4849 C C . PRO B 63 0.0943 0.8667 0.9204 -0.0441 -0.0189 0.0170 64 PRO B C ? ? 1 +4850 O O . PRO B 63 0.0934 0.8746 0.9294 -0.0458 -0.0190 0.0143 64 PRO B O ? ? 1 +4851 N N . PHE B 64 0.0922 0.8581 0.9128 -0.0461 -0.0147 0.0197 65 PHE B N ? ? 1 +4852 C CA . PHE B 64 0.0922 0.8602 0.9175 -0.0505 -0.0095 0.0197 65 PHE B CA ? ? 1 +4853 C CB . PHE B 64 0.0925 0.8505 0.9091 -0.0527 -0.0062 0.0229 65 PHE B CB ? ? 1 +4854 C CG . PHE B 64 0.0928 0.8449 0.9058 -0.0551 -0.0085 0.0233 65 PHE B CG ? ? 1 +4855 C CD1 . PHE B 64 0.0905 0.8368 0.8962 -0.0524 -0.0123 0.0244 65 PHE B CD1 ? ? 1 +4856 C CD2 . PHE B 64 0.0949 0.8476 0.9122 -0.0600 -0.0069 0.0224 65 PHE B CD2 ? ? 1 +4857 C CE1 . PHE B 64 0.0913 0.8324 0.8938 -0.0544 -0.0143 0.0246 65 PHE B CE1 ? ? 1 +4858 C CE2 . PHE B 64 0.0970 0.8441 0.9109 -0.0619 -0.0092 0.0226 65 PHE B CE2 ? ? 1 +4859 C CZ . PHE B 64 0.0942 0.8355 0.9006 -0.0590 -0.0128 0.0237 65 PHE B CZ ? ? 1 +4860 C C . PHE B 64 0.0917 0.8674 0.9234 -0.0492 -0.0062 0.0187 65 PHE B C ? ? 1 +4861 O O . PHE B 64 0.0885 0.8704 0.9285 -0.0527 -0.0030 0.0172 65 PHE B O ? ? 1 +4862 N N . MET B 65 0.0900 0.8648 0.9176 -0.0444 -0.0069 0.0194 66 MET B N ? ? 1 +4863 C CA . MET B 65 0.0909 0.8727 0.9238 -0.0422 -0.0043 0.0184 66 MET B CA ? ? 1 +4864 C CB . MET B 65 0.0945 0.8714 0.9191 -0.0372 -0.0047 0.0201 66 MET B CB ? ? 1 +4865 C CG . MET B 65 0.1013 0.8699 0.9176 -0.0384 -0.0004 0.0231 66 MET B CG ? ? 1 +4866 S SD . MET B 65 0.1096 0.8724 0.9165 -0.0331 -0.0003 0.0249 66 MET B SD ? ? 1 +4867 C CE . MET B 65 0.1044 0.8617 0.9049 -0.0306 -0.0065 0.0253 66 MET B CE ? ? 1 +4868 C C . MET B 65 0.0849 0.8779 0.9287 -0.0410 -0.0074 0.0148 66 MET B C ? ? 1 +4869 O O . MET B 65 0.0840 0.8857 0.9374 -0.0427 -0.0045 0.0128 66 MET B O ? ? 1 +4870 N N . ALA B 66 0.0786 0.8712 0.9208 -0.0382 -0.0133 0.0139 67 ALA B N ? ? 1 +4871 C CA . ALA B 66 0.0747 0.8770 0.9259 -0.0365 -0.0173 0.0104 67 ALA B CA ? ? 1 +4872 C CB . ALA B 66 0.0740 0.8721 0.9194 -0.0332 -0.0236 0.0104 67 ALA B CB ? ? 1 +4873 C C . ALA B 66 0.0710 0.8803 0.9324 -0.0417 -0.0166 0.0080 67 ALA B C ? ? 1 +4874 O O . ALA B 66 0.0703 0.8906 0.9427 -0.0414 -0.0169 0.0050 67 ALA B O ? ? 1 +4875 N N . ARG B 67 0.0665 0.8694 0.9244 -0.0464 -0.0158 0.0092 68 ARG B N ? ? 1 +4876 C CA . ARG B 67 0.0647 0.8724 0.9309 -0.0518 -0.0152 0.0071 68 ARG B CA ? ? 1 +4877 C CB . ARG B 67 0.0657 0.8634 0.9249 -0.0563 -0.0135 0.0093 68 ARG B CB ? ? 1 +4878 C CG . ARG B 67 0.0675 0.8688 0.9344 -0.0621 -0.0132 0.0070 68 ARG B CG ? ? 1 +4879 C CD . ARG B 67 0.0696 0.8605 0.9290 -0.0659 -0.0126 0.0090 68 ARG B CD ? ? 1 +4880 N NE . ARG B 67 0.0720 0.8550 0.9246 -0.0676 -0.0070 0.0123 68 ARG B NE ? ? 1 +4881 C CZ . ARG B 67 0.0737 0.8475 0.9199 -0.0710 -0.0053 0.0143 68 ARG B CZ ? ? 1 +4882 N NH1 . ARG B 67 0.0737 0.8441 0.9185 -0.0728 -0.0087 0.0134 68 ARG B NH1 ? ? 1 +4883 N NH2 . ARG B 67 0.0767 0.8442 0.9176 -0.0726 0.0000 0.0171 68 ARG B NH2 ? ? 1 +4884 C C . ARG B 67 0.0642 0.8810 0.9409 -0.0546 -0.0100 0.0054 68 ARG B C ? ? 1 +4885 O O . ARG B 67 0.0624 0.8882 0.9499 -0.0573 -0.0109 0.0022 68 ARG B O ? ? 1 +4886 N N . LEU B 68 0.0641 0.8785 0.9376 -0.0540 -0.0047 0.0076 69 LEU B N ? ? 1 +4887 C CA . LEU B 68 0.0654 0.8869 0.9475 -0.0569 0.0012 0.0065 69 LEU B CA ? ? 1 +4888 C CB . LEU B 68 0.0662 0.8782 0.9402 -0.0601 0.0073 0.0100 69 LEU B CB ? ? 1 +4889 C CG . LEU B 68 0.0670 0.8714 0.9373 -0.0655 0.0082 0.0112 69 LEU B CG ? ? 1 +4890 C CD1 . LEU B 68 0.0714 0.8690 0.9364 -0.0686 0.0151 0.0140 69 LEU B CD1 ? ? 1 +4891 C CD2 . LEU B 68 0.0664 0.8780 0.9473 -0.0701 0.0071 0.0080 69 LEU B CD2 ? ? 1 +4892 C C . LEU B 68 0.0661 0.8966 0.9541 -0.0525 0.0021 0.0050 69 LEU B C ? ? 1 +4893 O O . LEU B 68 0.0674 0.9034 0.9618 -0.0544 0.0076 0.0044 69 LEU B O ? ? 1 +4894 N N . GLY B 69 0.0660 0.8975 0.9517 -0.0463 -0.0030 0.0045 70 GLY B N ? ? 1 +4895 C CA . GLY B 69 0.0670 0.9082 0.9597 -0.0417 -0.0031 0.0024 70 GLY B CA ? ? 1 +4896 C C . GLY B 69 0.0690 0.9048 0.9527 -0.0355 -0.0037 0.0044 70 GLY B C ? ? 1 +4897 O O . GLY B 69 0.0697 0.9127 0.9583 -0.0310 -0.0043 0.0026 70 GLY B O ? ? 1 +4898 N N . VAL B 70 0.0709 0.8942 0.9417 -0.0352 -0.0033 0.0079 71 VAL B N ? ? 1 +4899 C CA . VAL B 70 0.0735 0.8909 0.9352 -0.0298 -0.0039 0.0097 71 VAL B CA ? ? 1 +4900 C CB . VAL B 70 0.0756 0.8812 0.9257 -0.0315 -0.0001 0.0135 71 VAL B CB ? ? 1 +4901 C CG1 . VAL B 70 0.0753 0.8740 0.9155 -0.0262 -0.0015 0.0153 71 VAL B CG1 ? ? 1 +4902 C CG2 . VAL B 70 0.0793 0.8871 0.9329 -0.0349 0.0070 0.0139 71 VAL B CG2 ? ? 1 +4903 C C . VAL B 70 0.0733 0.8879 0.9304 -0.0256 -0.0109 0.0094 71 VAL B C ? ? 1 +4904 O O . VAL B 70 0.0758 0.8820 0.9252 -0.0269 -0.0132 0.0111 71 VAL B O ? ? 1 +4905 N N . THR B 71 0.0737 0.8948 0.9350 -0.0204 -0.0139 0.0073 72 THR B N ? ? 1 +4906 C CA . THR B 71 0.0729 0.8918 0.9302 -0.0162 -0.0204 0.0067 72 THR B CA ? ? 1 +4907 C CB . THR B 71 0.0731 0.9040 0.9422 -0.0150 -0.0242 0.0028 72 THR B CB ? ? 1 +4908 O OG1 . THR B 71 0.0708 0.9107 0.9474 -0.0117 -0.0220 0.0010 72 THR B OG1 ? ? 1 +4909 C CG2 . THR B 71 0.0722 0.9083 0.9496 -0.0213 -0.0234 0.0012 72 THR B CG2 ? ? 1 +4910 C C . THR B 71 0.0749 0.8893 0.9247 -0.0097 -0.0218 0.0077 72 THR B C ? ? 1 +4911 O O . THR B 71 0.0765 0.8885 0.9223 -0.0059 -0.0271 0.0073 72 THR B O ? ? 1 +4912 N N . GLY B 72 0.0776 0.8908 0.9254 -0.0085 -0.0172 0.0088 73 GLY B N ? ? 1 +4913 C CA . GLY B 72 0.0812 0.8925 0.9243 -0.0022 -0.0181 0.0090 73 GLY B CA ? ? 1 +4914 C C . GLY B 72 0.0836 0.8840 0.9152 -0.0017 -0.0149 0.0121 73 GLY B C ? ? 1 +4915 O O . GLY B 72 0.0824 0.8792 0.9117 -0.0060 -0.0106 0.0139 73 GLY B O ? ? 1 +4916 N N . SER B 73 0.0878 0.8828 0.9120 0.0037 -0.0173 0.0127 74 SER B N ? ? 1 +4917 C CA . SER B 73 0.0937 0.8785 0.9069 0.0048 -0.0149 0.0152 74 SER B CA ? ? 1 +4918 C CB . SER B 73 0.0928 0.8672 0.8950 0.0066 -0.0190 0.0169 74 SER B CB ? ? 1 +4919 O OG . SER B 73 0.0938 0.8599 0.8867 0.0087 -0.0170 0.0187 74 SER B OG ? ? 1 +4920 C C . SER B 73 0.0999 0.8879 0.9143 0.0096 -0.0126 0.0143 74 SER B C ? ? 1 +4921 O O . SER B 73 0.0977 0.8923 0.9175 0.0139 -0.0152 0.0120 74 SER B O ? ? 1 +4922 N N . TRP B 74 0.1087 0.8911 0.9171 0.0090 -0.0082 0.0160 75 TRP B N ? ? 1 +4923 C CA . TRP B 74 0.1185 0.9012 0.9253 0.0138 -0.0060 0.0154 75 TRP B CA ? ? 1 +4924 C CB . TRP B 74 0.1206 0.8954 0.9192 0.0121 -0.0012 0.0176 75 TRP B CB ? ? 1 +4925 C CG . TRP B 74 0.1194 0.8985 0.9232 0.0076 0.0043 0.0178 75 TRP B CG ? ? 1 +4926 C CD1 . TRP B 74 0.1185 0.9090 0.9344 0.0059 0.0066 0.0158 75 TRP B CD1 ? ? 1 +4927 N NE1 . TRP B 74 0.1211 0.9112 0.9374 0.0015 0.0122 0.0169 75 TRP B NE1 ? ? 1 +4928 C CE2 . TRP B 74 0.1219 0.9004 0.9261 0.0006 0.0133 0.0196 75 TRP B CE2 ? ? 1 +4929 C CZ2 . TRP B 74 0.1243 0.8976 0.9236 -0.0030 0.0180 0.0215 75 TRP B CZ2 ? ? 1 +4930 C CH2 . TRP B 74 0.1277 0.8894 0.9145 -0.0028 0.0174 0.0239 75 TRP B CH2 ? ? 1 +4931 C CZ3 . TRP B 74 0.1252 0.8807 0.9051 0.0004 0.0126 0.0243 75 TRP B CZ3 ? ? 1 +4932 C CE3 . TRP B 74 0.1237 0.8837 0.9081 0.0039 0.0083 0.0225 75 TRP B CE3 ? ? 1 +4933 C CD2 . TRP B 74 0.1225 0.8943 0.9191 0.0042 0.0084 0.0201 75 TRP B CD2 ? ? 1 +4934 C C . TRP B 74 0.1282 0.9059 0.9286 0.0198 -0.0103 0.0152 75 TRP B C ? ? 1 +4935 O O . TRP B 74 0.1320 0.9118 0.9329 0.0248 -0.0096 0.0140 75 TRP B O ? ? 1 +4936 N N . SER B 75 0.1370 0.9075 0.9307 0.0194 -0.0146 0.0164 76 SER B N ? ? 1 +4937 C CA . SER B 75 0.1454 0.9098 0.9318 0.0247 -0.0185 0.0164 76 SER B CA ? ? 1 +4938 C CB . SER B 75 0.1482 0.9010 0.9239 0.0226 -0.0206 0.0187 76 SER B CB ? ? 1 +4939 O OG . SER B 75 0.1484 0.9034 0.9273 0.0195 -0.0236 0.0186 76 SER B OG ? ? 1 +4940 C C . SER B 75 0.1461 0.9181 0.9394 0.0286 -0.0230 0.0139 76 SER B C ? ? 1 +4941 O O . SER B 75 0.1510 0.9183 0.9386 0.0334 -0.0266 0.0138 76 SER B O ? ? 1 +4942 N N . GLY B 76 0.1450 0.9286 0.9503 0.0265 -0.0228 0.0119 77 GLY B N ? ? 1 +4943 C CA . GLY B 76 0.1466 0.9399 0.9606 0.0306 -0.0264 0.0090 77 GLY B CA ? ? 1 +4944 C C . GLY B 76 0.1460 0.9424 0.9635 0.0292 -0.0315 0.0080 77 GLY B C ? ? 1 +4945 O O . GLY B 76 0.1495 0.9538 0.9738 0.0329 -0.0352 0.0054 77 GLY B O ? ? 1 +4946 N N . TRP B 77 0.1450 0.9351 0.9578 0.0242 -0.0319 0.0098 78 TRP B N ? ? 1 +4947 C CA . TRP B 77 0.1429 0.9349 0.9581 0.0225 -0.0364 0.0090 78 TRP B CA ? ? 1 +4948 C CB . TRP B 77 0.1509 0.9303 0.9537 0.0222 -0.0390 0.0114 78 TRP B CB ? ? 1 +4949 C CG . TRP B 77 0.1495 0.9201 0.9449 0.0176 -0.0352 0.0143 78 TRP B CG ? ? 1 +4950 C CD1 . TRP B 77 0.1550 0.9160 0.9405 0.0190 -0.0334 0.0164 78 TRP B CD1 ? ? 1 +4951 N NE1 . TRP B 77 0.1564 0.9117 0.9377 0.0139 -0.0306 0.0186 78 TRP B NE1 ? ? 1 +4952 C CE2 . TRP B 77 0.1473 0.9078 0.9353 0.0093 -0.0304 0.0181 78 TRP B CE2 ? ? 1 +4953 C CZ2 . TRP B 77 0.1399 0.8974 0.9267 0.0037 -0.0281 0.0196 78 TRP B CZ2 ? ? 1 +4954 C CH2 . TRP B 77 0.1391 0.9027 0.9335 -0.0001 -0.0285 0.0186 78 TRP B CH2 ? ? 1 +4955 C CZ3 . TRP B 77 0.1417 0.9149 0.9453 0.0013 -0.0312 0.0158 78 TRP B CZ3 ? ? 1 +4956 C CE3 . TRP B 77 0.1437 0.9205 0.9489 0.0070 -0.0337 0.0141 78 TRP B CE3 ? ? 1 +4957 C CD2 . TRP B 77 0.1477 0.9179 0.9448 0.0112 -0.0333 0.0153 78 TRP B CD2 ? ? 1 +4958 C C . TRP B 77 0.1377 0.9364 0.9618 0.0159 -0.0342 0.0083 78 TRP B C ? ? 1 +4959 O O . TRP B 77 0.1347 0.9339 0.9605 0.0122 -0.0290 0.0093 78 TRP B O ? ? 1 +4960 N N . SER B 78 0.1393 0.9428 0.9686 0.0147 -0.0383 0.0066 79 SER B N ? ? 1 +4961 C CA . SER B 78 0.1376 0.9469 0.9750 0.0085 -0.0369 0.0057 79 SER B CA ? ? 1 +4962 C CB . SER B 78 0.1342 0.9583 0.9863 0.0088 -0.0371 0.0021 79 SER B CB ? ? 1 +4963 O OG . SER B 78 0.1316 0.9603 0.9872 0.0114 -0.0434 -0.0004 79 SER B OG ? ? 1 +4964 C C . SER B 78 0.1427 0.9468 0.9755 0.0066 -0.0412 0.0062 79 SER B C ? ? 1 +4965 O O . SER B 78 0.1456 0.9450 0.9719 0.0107 -0.0458 0.0062 79 SER B O ? ? 1 +4966 N N . ILE B 79 0.1515 0.9560 0.9871 0.0004 -0.0396 0.0065 80 ILE B N ? ? 1 +4967 C CA . ILE B 79 0.1653 0.9643 0.9961 -0.0018 -0.0432 0.0070 80 ILE B CA ? ? 1 +4968 C CB . ILE B 79 0.1677 0.9643 0.9992 -0.0087 -0.0398 0.0083 80 ILE B CB ? ? 1 +4969 C CG1 . ILE B 79 0.1718 0.9796 1.0164 -0.0124 -0.0371 0.0060 80 ILE B CG1 ? ? 1 +4970 C CG2 . ILE B 79 0.1652 0.9523 0.9877 -0.0100 -0.0354 0.0117 80 ILE B CG2 ? ? 1 +4971 C CD1 . ILE B 79 0.1751 0.9806 1.0205 -0.0189 -0.0350 0.0067 80 ILE B CD1 ? ? 1 +4972 C C . ILE B 79 0.1768 0.9827 1.0137 0.0000 -0.0489 0.0039 80 ILE B C ? ? 1 +4973 O O . ILE B 79 0.1784 0.9794 1.0103 -0.0006 -0.0525 0.0041 80 ILE B O ? ? 1 +4974 N N . THR B 80 0.1877 1.0053 1.0355 0.0021 -0.0495 0.0008 81 THR B N ? ? 1 +4975 C CA . THR B 80 0.2062 1.0313 1.0603 0.0043 -0.0554 -0.0025 81 THR B CA ? ? 1 +4976 C CB . THR B 80 0.1971 1.0369 1.0667 0.0028 -0.0541 -0.0059 81 THR B CB ? ? 1 +4977 O OG1 . THR B 80 0.1968 1.0411 1.0692 0.0073 -0.0519 -0.0063 81 THR B OG1 ? ? 1 +4978 C CG2 . THR B 80 0.1907 1.0325 1.0659 -0.0048 -0.0489 -0.0055 81 THR B CG2 ? ? 1 +4979 C C . THR B 80 0.2394 1.0617 1.0873 0.0120 -0.0602 -0.0028 81 THR B C ? ? 1 +4980 O O . THR B 80 0.2571 1.0845 1.1085 0.0149 -0.0657 -0.0055 81 THR B O ? ? 1 +4981 N N . GLY B 81 0.2639 1.0782 1.1026 0.0153 -0.0582 -0.0003 82 GLY B N ? ? 1 +4982 C CA . GLY B 81 0.2836 1.0927 1.1143 0.0224 -0.0622 -0.0001 82 GLY B CA ? ? 1 +4983 C C . GLY B 81 0.3067 1.1220 1.1418 0.0281 -0.0617 -0.0015 82 GLY B C ? ? 1 +4984 O O . GLY B 81 0.3139 1.1241 1.1417 0.0343 -0.0646 -0.0012 82 GLY B O ? ? 1 +4985 N N . GLU B 82 0.3328 1.1585 1.1793 0.0262 -0.0577 -0.0030 83 GLU B N ? ? 1 +4986 C CA . GLU B 82 0.3660 1.1983 1.2175 0.0316 -0.0568 -0.0045 83 GLU B CA ? ? 1 +4987 C CB . GLU B 82 0.3853 1.2318 1.2523 0.0285 -0.0533 -0.0071 83 GLU B CB ? ? 1 +4988 C CG . GLU B 82 0.4127 1.2692 1.2905 0.0253 -0.0567 -0.0103 83 GLU B CG ? ? 1 +4989 C CD . GLU B 82 0.4535 1.3215 1.3452 0.0198 -0.0518 -0.0121 83 GLU B CD ? ? 1 +4990 O OE1 . GLU B 82 0.4491 1.3122 1.3382 0.0142 -0.0463 -0.0097 83 GLU B OE1 ? ? 1 +4991 O OE2 . GLU B 82 0.5037 1.3855 1.4086 0.0213 -0.0533 -0.0159 83 GLU B OE2 ? ? 1 +4992 C C . GLU B 82 0.3786 1.2008 1.2198 0.0336 -0.0528 -0.0015 83 GLU B C ? ? 1 +4993 O O . GLU B 82 0.3963 1.2103 1.2309 0.0292 -0.0492 0.0014 83 GLU B O ? ? 1 +4994 N N . THR B 83 0.3811 1.2041 1.2209 0.0405 -0.0539 -0.0023 84 THR B N ? ? 1 +4995 C CA . THR B 83 0.3795 1.1943 1.2109 0.0429 -0.0501 0.0000 84 THR B CA ? ? 1 +4996 C CB . THR B 83 0.3914 1.1940 1.2090 0.0485 -0.0538 0.0016 84 THR B CB ? ? 1 +4997 O OG1 . THR B 83 0.4177 1.2256 1.2385 0.0543 -0.0596 -0.0010 84 THR B OG1 ? ? 1 +4998 C CG2 . THR B 83 0.3895 1.1801 1.1961 0.0449 -0.0548 0.0043 84 THR B CG2 ? ? 1 +4999 C C . THR B 83 0.3633 1.1881 1.2038 0.0463 -0.0471 -0.0021 84 THR B C ? ? 1 +5000 O O . THR B 83 0.3631 1.2001 1.2148 0.0488 -0.0495 -0.0054 84 THR B O ? ? 1 +5001 N N . GLY B 84 0.3585 1.1779 1.1939 0.0462 -0.0419 -0.0002 85 GLY B N ? ? 1 +5002 C CA . GLY B 84 0.3600 1.1870 1.2022 0.0494 -0.0382 -0.0018 85 GLY B CA ? ? 1 +5003 C C . GLY B 84 0.3543 1.1945 1.2109 0.0446 -0.0340 -0.0037 85 GLY B C ? ? 1 +5004 O O . GLY B 84 0.3414 1.1921 1.2077 0.0476 -0.0322 -0.0062 85 GLY B O ? ? 1 +5005 N N . ILE B 85 0.3354 1.1746 1.1932 0.0371 -0.0322 -0.0025 86 ILE B N ? ? 1 +5006 C CA . ILE B 85 0.3116 1.1610 1.1813 0.0316 -0.0273 -0.0038 86 ILE B CA ? ? 1 +5007 C CB . ILE B 85 0.3022 1.1535 1.1761 0.0245 -0.0284 -0.0038 86 ILE B CB ? ? 1 +5008 C CG1 . ILE B 85 0.3019 1.1395 1.1637 0.0197 -0.0269 0.0000 86 ILE B CG1 ? ? 1 +5009 C CG2 . ILE B 85 0.3043 1.1608 1.1826 0.0268 -0.0356 -0.0063 86 ILE B CG2 ? ? 1 +5010 C CD1 . ILE B 85 0.3014 1.1274 1.1506 0.0225 -0.0313 0.0019 86 ILE B CD1 ? ? 1 +5011 C C . ILE B 85 0.2910 1.1349 1.1558 0.0294 -0.0203 -0.0015 86 ILE B C ? ? 1 +5012 O O . ILE B 85 0.3044 1.1356 1.1561 0.0303 -0.0198 0.0014 86 ILE B O ? ? 1 +5013 N N . ASP B 86 0.2593 1.1128 1.1345 0.0264 -0.0150 -0.0028 87 ASP B N ? ? 1 +5014 C CA . ASP B 86 0.2396 1.0884 1.1108 0.0230 -0.0080 -0.0007 87 ASP B CA ? ? 1 +5015 C CB . ASP B 86 0.2550 1.1100 1.1309 0.0268 -0.0034 -0.0021 87 ASP B CB ? ? 1 +5016 C CG . ASP B 86 0.2778 1.1249 1.1459 0.0246 0.0032 0.0005 87 ASP B CG ? ? 1 +5017 O OD1 . ASP B 86 0.3058 1.1419 1.1640 0.0206 0.0038 0.0035 87 ASP B OD1 ? ? 1 +5018 O OD2 . ASP B 86 0.2949 1.1465 1.1664 0.0270 0.0078 -0.0005 87 ASP B OD2 ? ? 1 +5019 C C . ASP B 86 0.2042 1.0562 1.0813 0.0149 -0.0045 -0.0004 87 ASP B C ? ? 1 +5020 O O . ASP B 86 0.1915 1.0558 1.0818 0.0127 -0.0025 -0.0030 87 ASP B O ? ? 1 +5021 N N . PRO B 87 0.1739 1.0149 1.0414 0.0103 -0.0037 0.0028 88 PRO B N ? ? 1 +5022 C CA . PRO B 87 0.1542 0.9965 1.0257 0.0028 -0.0006 0.0033 88 PRO B CA ? ? 1 +5023 C CB . PRO B 87 0.1582 0.9871 1.0171 0.0005 -0.0031 0.0065 88 PRO B CB ? ? 1 +5024 C CG . PRO B 87 0.1632 0.9825 1.0104 0.0055 -0.0037 0.0084 88 PRO B CG ? ? 1 +5025 C CD . PRO B 87 0.1702 0.9969 1.0225 0.0122 -0.0058 0.0058 88 PRO B CD ? ? 1 +5026 C C . PRO B 87 0.1380 0.9814 1.0113 -0.0006 0.0073 0.0041 88 PRO B C ? ? 1 +5027 O O . PRO B 87 0.1304 0.9749 1.0072 -0.0068 0.0104 0.0045 88 PRO B O ? ? 1 +5028 N N . GLY B 88 0.1305 0.9730 1.0009 0.0035 0.0105 0.0043 89 GLY B N ? ? 1 +5029 C CA . GLY B 88 0.1281 0.9685 0.9964 0.0009 0.0180 0.0057 89 GLY B CA ? ? 1 +5030 C C . GLY B 88 0.1254 0.9514 0.9798 -0.0021 0.0194 0.0095 89 GLY B C ? ? 1 +5031 O O . GLY B 88 0.1201 0.9370 0.9649 -0.0004 0.0149 0.0112 89 GLY B O ? ? 1 +5032 N N . PHE B 89 0.1229 0.9472 0.9765 -0.0065 0.0257 0.0108 90 PHE B N ? ? 1 +5033 C CA . PHE B 89 0.1219 0.9332 0.9628 -0.0092 0.0275 0.0143 90 PHE B CA ? ? 1 +5034 C CB . PHE B 89 0.1269 0.9374 0.9672 -0.0127 0.0354 0.0153 90 PHE B CB ? ? 1 +5035 C CG . PHE B 89 0.1337 0.9307 0.9604 -0.0150 0.0365 0.0188 90 PHE B CG ? ? 1 +5036 C CD1 . PHE B 89 0.1362 0.9236 0.9509 -0.0111 0.0350 0.0204 90 PHE B CD1 ? ? 1 +5037 C CD2 . PHE B 89 0.1355 0.9290 0.9612 -0.0209 0.0382 0.0203 90 PHE B CD2 ? ? 1 +5038 C CE1 . PHE B 89 0.1383 0.9139 0.9411 -0.0132 0.0353 0.0234 90 PHE B CE1 ? ? 1 +5039 C CE2 . PHE B 89 0.1375 0.9187 0.9507 -0.0225 0.0385 0.0234 90 PHE B CE2 ? ? 1 +5040 C CZ . PHE B 89 0.1380 0.9108 0.9402 -0.0187 0.0371 0.0248 90 PHE B CZ ? ? 1 +5041 C C . PHE B 89 0.1140 0.9206 0.9524 -0.0133 0.0236 0.0155 90 PHE B C ? ? 1 +5042 O O . PHE B 89 0.1105 0.9065 0.9378 -0.0129 0.0210 0.0179 90 PHE B O ? ? 1 +5043 N N . TRP B 90 0.1045 0.9193 0.9535 -0.0171 0.0232 0.0138 91 TRP B N ? ? 1 +5044 C CA . TRP B 90 0.0982 0.9089 0.9456 -0.0215 0.0203 0.0148 91 TRP B CA ? ? 1 +5045 C CB . TRP B 90 0.0963 0.9147 0.9543 -0.0272 0.0233 0.0133 91 TRP B CB ? ? 1 +5046 C CG . TRP B 90 0.1000 0.9172 0.9575 -0.0307 0.0310 0.0144 91 TRP B CG ? ? 1 +5047 C CD1 . TRP B 90 0.1028 0.9297 0.9705 -0.0321 0.0362 0.0124 91 TRP B CD1 ? ? 1 +5048 N NE1 . TRP B 90 0.1076 0.9290 0.9703 -0.0354 0.0430 0.0145 91 TRP B NE1 ? ? 1 +5049 C CE2 . TRP B 90 0.1071 0.9153 0.9564 -0.0361 0.0418 0.0178 91 TRP B CE2 ? ? 1 +5050 C CZ2 . TRP B 90 0.1124 0.9106 0.9519 -0.0387 0.0466 0.0207 91 TRP B CZ2 ? ? 1 +5051 C CH2 . TRP B 90 0.1124 0.8987 0.9396 -0.0384 0.0436 0.0235 91 TRP B CH2 ? ? 1 +5052 C CZ3 . TRP B 90 0.1073 0.8915 0.9319 -0.0358 0.0365 0.0235 91 TRP B CZ3 ? ? 1 +5053 C CE3 . TRP B 90 0.1028 0.8961 0.9364 -0.0333 0.0320 0.0207 91 TRP B CE3 ? ? 1 +5054 C CD2 . TRP B 90 0.1022 0.9078 0.9484 -0.0332 0.0345 0.0178 91 TRP B CD2 ? ? 1 +5055 C C . TRP B 90 0.0930 0.9031 0.9393 -0.0186 0.0128 0.0141 91 TRP B C ? ? 1 +5056 O O . TRP B 90 0.0889 0.9053 0.9431 -0.0203 0.0096 0.0121 91 TRP B O ? ? 1 +5057 N N . SER B 91 0.0930 0.8949 0.9290 -0.0144 0.0102 0.0156 92 SER B N ? ? 1 +5058 C CA . SER B 91 0.0907 0.8875 0.9213 -0.0123 0.0039 0.0161 92 SER B CA ? ? 1 +5059 C CB . SER B 91 0.0923 0.8846 0.9157 -0.0062 0.0019 0.0165 92 SER B CB ? ? 1 +5060 O OG . SER B 91 0.0953 0.8779 0.9082 -0.0065 0.0051 0.0191 92 SER B OG ? ? 1 +5061 C C . SER B 91 0.0899 0.8764 0.9115 -0.0161 0.0035 0.0188 92 SER B C ? ? 1 +5062 O O . SER B 91 0.0889 0.8712 0.9071 -0.0194 0.0079 0.0206 92 SER B O ? ? 1 +5063 N N . PHE B 92 0.0903 0.8722 0.9075 -0.0152 -0.0018 0.0193 93 PHE B N ? ? 1 +5064 C CA . PHE B 92 0.0906 0.8626 0.8988 -0.0178 -0.0026 0.0218 93 PHE B CA ? ? 1 +5065 C CB . PHE B 92 0.0928 0.8607 0.8964 -0.0155 -0.0085 0.0218 93 PHE B CB ? ? 1 +5066 C CG . PHE B 92 0.0932 0.8680 0.9048 -0.0163 -0.0122 0.0196 93 PHE B CG ? ? 1 +5067 C CD1 . PHE B 92 0.0932 0.8701 0.9095 -0.0213 -0.0115 0.0193 93 PHE B CD1 ? ? 1 +5068 C CD2 . PHE B 92 0.0956 0.8743 0.9095 -0.0118 -0.0166 0.0177 93 PHE B CD2 ? ? 1 +5069 C CE1 . PHE B 92 0.0926 0.8757 0.9160 -0.0222 -0.0152 0.0170 93 PHE B CE1 ? ? 1 +5070 C CE2 . PHE B 92 0.0951 0.8801 0.9161 -0.0124 -0.0203 0.0155 93 PHE B CE2 ? ? 1 +5071 C CZ . PHE B 92 0.0929 0.8802 0.9188 -0.0177 -0.0196 0.0151 93 PHE B CZ ? ? 1 +5072 C C . PHE B 92 0.0908 0.8546 0.8896 -0.0174 0.0009 0.0242 93 PHE B C ? ? 1 +5073 O O . PHE B 92 0.0901 0.8490 0.8852 -0.0211 0.0035 0.0260 93 PHE B O ? ? 1 +5074 N N . GLU B 93 0.0924 0.8549 0.8876 -0.0128 0.0009 0.0240 94 GLU B N ? ? 1 +5075 C CA . GLU B 93 0.0939 0.8490 0.8804 -0.0120 0.0039 0.0259 94 GLU B CA ? ? 1 +5076 C CB . GLU B 93 0.0982 0.8524 0.8814 -0.0064 0.0029 0.0252 94 GLU B CB ? ? 1 +5077 C CG . GLU B 93 0.0991 0.8502 0.8789 -0.0034 -0.0027 0.0249 94 GLU B CG ? ? 1 +5078 C CD . GLU B 93 0.1012 0.8606 0.8893 -0.0010 -0.0060 0.0225 94 GLU B CD ? ? 1 +5079 O OE1 . GLU B 93 0.1022 0.8713 0.9002 -0.0013 -0.0040 0.0206 94 GLU B OE1 ? ? 1 +5080 O OE2 . GLU B 93 0.1045 0.8608 0.8892 0.0013 -0.0105 0.0224 94 GLU B OE2 ? ? 1 +5081 C C . GLU B 93 0.0946 0.8516 0.8832 -0.0146 0.0099 0.0263 94 GLU B C ? ? 1 +5082 O O . GLU B 93 0.0944 0.8444 0.8759 -0.0166 0.0124 0.0283 94 GLU B O ? ? 1 +5083 N N . GLY B 94 0.0948 0.8616 0.8934 -0.0144 0.0124 0.0242 95 GLY B N ? ? 1 +5084 C CA . GLY B 94 0.0956 0.8648 0.8968 -0.0171 0.0186 0.0244 95 GLY B CA ? ? 1 +5085 C C . GLY B 94 0.0947 0.8604 0.8948 -0.0228 0.0205 0.0260 95 GLY B C ? ? 1 +5086 O O . GLY B 94 0.0986 0.8586 0.8927 -0.0246 0.0246 0.0278 95 GLY B O ? ? 1 +5087 N N . VAL B 95 0.0908 0.8596 0.8963 -0.0253 0.0173 0.0252 96 VAL B N ? ? 1 +5088 C CA . VAL B 95 0.0915 0.8562 0.8954 -0.0304 0.0182 0.0266 96 VAL B CA ? ? 1 +5089 C CB . VAL B 95 0.0878 0.8573 0.8989 -0.0324 0.0141 0.0250 96 VAL B CB ? ? 1 +5090 C CG1 . VAL B 95 0.0884 0.8521 0.8963 -0.0372 0.0143 0.0266 96 VAL B CG1 ? ? 1 +5091 C CG2 . VAL B 95 0.0870 0.8690 0.9114 -0.0332 0.0154 0.0220 96 VAL B CG2 ? ? 1 +5092 C C . VAL B 95 0.0932 0.8461 0.8847 -0.0306 0.0174 0.0295 96 VAL B C ? ? 1 +5093 O O . VAL B 95 0.0928 0.8404 0.8800 -0.0337 0.0207 0.0313 96 VAL B O ? ? 1 +5094 N N . ALA B 96 0.0948 0.8433 0.8804 -0.0272 0.0130 0.0299 97 ALA B N ? ? 1 +5095 C CA . ALA B 96 0.1004 0.8385 0.8751 -0.0273 0.0119 0.0323 97 ALA B CA ? ? 1 +5096 C CB . ALA B 96 0.0970 0.8320 0.8673 -0.0239 0.0068 0.0322 97 ALA B CB ? ? 1 +5097 C C . ALA B 96 0.1097 0.8429 0.8776 -0.0267 0.0162 0.0338 97 ALA B C ? ? 1 +5098 O O . ALA B 96 0.1117 0.8385 0.8736 -0.0291 0.0180 0.0357 97 ALA B O ? ? 1 +5099 N N . LEU B 97 0.1180 0.8543 0.8869 -0.0234 0.0179 0.0327 98 LEU B N ? ? 1 +5100 C CA . LEU B 97 0.1286 0.8606 0.8912 -0.0224 0.0221 0.0338 98 LEU B CA ? ? 1 +5101 C CB . LEU B 97 0.1379 0.8746 0.9030 -0.0181 0.0232 0.0321 98 LEU B CB ? ? 1 +5102 C CG . LEU B 97 0.1511 0.8843 0.9104 -0.0167 0.0280 0.0327 98 LEU B CG ? ? 1 +5103 C CD1 . LEU B 97 0.1580 0.8806 0.9049 -0.0149 0.0261 0.0344 98 LEU B CD1 ? ? 1 +5104 C CD2 . LEU B 97 0.1527 0.8933 0.9179 -0.0130 0.0299 0.0306 98 LEU B CD2 ? ? 1 +5105 C C . LEU B 97 0.1298 0.8619 0.8936 -0.0262 0.0275 0.0346 98 LEU B C ? ? 1 +5106 O O . LEU B 97 0.1388 0.8635 0.8941 -0.0270 0.0300 0.0365 98 LEU B O ? ? 1 +5107 N N . ALA B 98 0.1230 0.8634 0.8971 -0.0287 0.0295 0.0332 99 ALA B N ? ? 1 +5108 C CA . ALA B 98 0.1244 0.8649 0.8999 -0.0327 0.0351 0.0339 99 ALA B CA ? ? 1 +5109 C CB . ALA B 98 0.1213 0.8727 0.9101 -0.0353 0.0370 0.0316 99 ALA B CB ? ? 1 +5110 C C . ALA B 98 0.1220 0.8539 0.8905 -0.0361 0.0346 0.0362 99 ALA B C ? ? 1 +5111 O O . ALA B 98 0.1274 0.8538 0.8902 -0.0380 0.0389 0.0379 99 ALA B O ? ? 1 +5112 N N . HIS B 99 0.1147 0.8453 0.8834 -0.0366 0.0295 0.0363 100 HIS B N ? ? 1 +5113 C CA . HIS B 99 0.1158 0.8385 0.8781 -0.0393 0.0286 0.0383 100 HIS B CA ? ? 1 +5114 C CB . HIS B 99 0.1085 0.8322 0.8738 -0.0401 0.0232 0.0377 100 HIS B CB ? ? 1 +5115 C CG . HIS B 99 0.1070 0.8378 0.8826 -0.0435 0.0238 0.0361 100 HIS B CG ? ? 1 +5116 N ND1 . HIS B 99 0.1037 0.8449 0.8897 -0.0426 0.0236 0.0334 100 HIS B ND1 ? ? 1 +5117 C CE1 . HIS B 99 0.1028 0.8483 0.8962 -0.0465 0.0243 0.0324 100 HIS B CE1 ? ? 1 +5118 N NE2 . HIS B 99 0.1047 0.8428 0.8928 -0.0498 0.0251 0.0342 100 HIS B NE2 ? ? 1 +5119 C CD2 . HIS B 99 0.1070 0.8360 0.8840 -0.0477 0.0248 0.0366 100 HIS B CD2 ? ? 1 +5120 C C . HIS B 99 0.1186 0.8316 0.8687 -0.0373 0.0284 0.0405 100 HIS B C ? ? 1 +5121 O O . HIS B 99 0.1227 0.8291 0.8666 -0.0393 0.0306 0.0424 100 HIS B O ? ? 1 +5122 N N . ILE B 100 0.1193 0.8317 0.8661 -0.0333 0.0260 0.0400 101 ILE B N ? ? 1 +5123 C CA . ILE B 100 0.1250 0.8289 0.8608 -0.0313 0.0254 0.0416 101 ILE B CA ? ? 1 +5124 C CB . ILE B 100 0.1242 0.8281 0.8581 -0.0272 0.0217 0.0407 101 ILE B CB ? ? 1 +5125 C CG1 . ILE B 100 0.1189 0.8244 0.8559 -0.0271 0.0163 0.0400 101 ILE B CG1 ? ? 1 +5126 C CG2 . ILE B 100 0.1292 0.8247 0.8519 -0.0252 0.0214 0.0419 101 ILE B CG2 ? ? 1 +5127 C CD1 . ILE B 100 0.1203 0.8194 0.8517 -0.0286 0.0138 0.0415 101 ILE B CD1 ? ? 1 +5128 C C . ILE B 100 0.1328 0.8335 0.8637 -0.0313 0.0309 0.0425 101 ILE B C ? ? 1 +5129 O O . ILE B 100 0.1409 0.8336 0.8627 -0.0317 0.0317 0.0444 101 ILE B O ? ? 1 +5130 N N . VAL B 101 0.1337 0.8407 0.8703 -0.0307 0.0348 0.0412 102 VAL B N ? ? 1 +5131 C CA . VAL B 101 0.1388 0.8430 0.8708 -0.0307 0.0405 0.0420 102 VAL B CA ? ? 1 +5132 C CB . VAL B 101 0.1396 0.8519 0.8787 -0.0289 0.0439 0.0400 102 VAL B CB ? ? 1 +5133 C CG1 . VAL B 101 0.1482 0.8575 0.8824 -0.0293 0.0505 0.0408 102 VAL B CG1 ? ? 1 +5134 C CG2 . VAL B 101 0.1363 0.8499 0.8746 -0.0242 0.0401 0.0387 102 VAL B CG2 ? ? 1 +5135 C C . VAL B 101 0.1412 0.8419 0.8717 -0.0350 0.0440 0.0436 102 VAL B C ? ? 1 +5136 O O . VAL B 101 0.1475 0.8400 0.8683 -0.0353 0.0462 0.0455 102 VAL B O ? ? 1 +5137 N N . LEU B 102 0.1351 0.8415 0.8748 -0.0384 0.0441 0.0428 103 LEU B N ? ? 1 +5138 C CA . LEU B 102 0.1370 0.8395 0.8752 -0.0427 0.0473 0.0443 103 LEU B CA ? ? 1 +5139 C CB . LEU B 102 0.1325 0.8422 0.8819 -0.0461 0.0465 0.0428 103 LEU B CB ? ? 1 +5140 C CG . LEU B 102 0.1368 0.8422 0.8852 -0.0508 0.0492 0.0442 103 LEU B CG ? ? 1 +5141 C CD1 . LEU B 102 0.1462 0.8488 0.8916 -0.0530 0.0567 0.0452 103 LEU B CD1 ? ? 1 +5142 C CD2 . LEU B 102 0.1319 0.8450 0.8917 -0.0539 0.0479 0.0423 103 LEU B CD2 ? ? 1 +5143 C C . LEU B 102 0.1364 0.8282 0.8636 -0.0427 0.0447 0.0467 103 LEU B C ? ? 1 +5144 O O . LEU B 102 0.1426 0.8271 0.8622 -0.0442 0.0481 0.0486 103 LEU B O ? ? 1 +5145 N N . SER B 103 0.1287 0.8196 0.8549 -0.0410 0.0386 0.0465 104 SER B N ? ? 1 +5146 C CA . SER B 103 0.1288 0.8107 0.8455 -0.0405 0.0356 0.0484 104 SER B CA ? ? 1 +5147 C CB . SER B 103 0.1225 0.8053 0.8398 -0.0384 0.0292 0.0476 104 SER B CB ? ? 1 +5148 O OG . SER B 103 0.1269 0.8014 0.8350 -0.0376 0.0266 0.0493 104 SER B OG ? ? 1 +5149 C C . SER B 103 0.1346 0.8086 0.8399 -0.0385 0.0377 0.0500 104 SER B C ? ? 1 +5150 O O . SER B 103 0.1405 0.8068 0.8382 -0.0396 0.0390 0.0519 104 SER B O ? ? 1 +5151 N N . GLY B 104 0.1337 0.8094 0.8378 -0.0355 0.0381 0.0490 105 GLY B N ? ? 1 +5152 C CA . GLY B 104 0.1408 0.8092 0.8340 -0.0333 0.0399 0.0502 105 GLY B CA ? ? 1 +5153 C C . GLY B 104 0.1501 0.8144 0.8388 -0.0351 0.0462 0.0516 105 GLY B C ? ? 1 +5154 O O . GLY B 104 0.1569 0.8124 0.8349 -0.0346 0.0468 0.0534 105 GLY B O ? ? 1 +5155 N N . LEU B 105 0.1504 0.8215 0.8474 -0.0371 0.0510 0.0506 106 LEU B N ? ? 1 +5156 C CA . LEU B 105 0.1588 0.8267 0.8528 -0.0394 0.0577 0.0518 106 LEU B CA ? ? 1 +5157 C CB . LEU B 105 0.1571 0.8353 0.8635 -0.0416 0.0623 0.0499 106 LEU B CB ? ? 1 +5158 C CG . LEU B 105 0.1552 0.8404 0.8663 -0.0385 0.0632 0.0479 106 LEU B CG ? ? 1 +5159 C CD1 . LEU B 105 0.1533 0.8493 0.8775 -0.0408 0.0673 0.0459 106 LEU B CD1 ? ? 1 +5160 C CD2 . LEU B 105 0.1639 0.8427 0.8645 -0.0359 0.0667 0.0488 106 LEU B CD2 ? ? 1 +5161 C C . LEU B 105 0.1624 0.8231 0.8515 -0.0425 0.0581 0.0539 106 LEU B C ? ? 1 +5162 O O . LEU B 105 0.1712 0.8234 0.8504 -0.0428 0.0616 0.0558 106 LEU B O ? ? 1 +5163 N N . LEU B 106 0.1563 0.8200 0.8520 -0.0446 0.0547 0.0535 107 LEU B N ? ? 1 +5164 C CA . LEU B 106 0.1621 0.8188 0.8533 -0.0473 0.0546 0.0554 107 LEU B CA ? ? 1 +5165 C CB . LEU B 106 0.1535 0.8155 0.8539 -0.0495 0.0509 0.0543 107 LEU B CB ? ? 1 +5166 C CG . LEU B 106 0.1497 0.8211 0.8628 -0.0528 0.0538 0.0523 107 LEU B CG ? ? 1 +5167 C CD1 . LEU B 106 0.1418 0.8177 0.8628 -0.0544 0.0492 0.0512 107 LEU B CD1 ? ? 1 +5168 C CD2 . LEU B 106 0.1588 0.8272 0.8710 -0.0566 0.0605 0.0534 107 LEU B CD2 ? ? 1 +5169 C C . LEU B 106 0.1694 0.8159 0.8478 -0.0447 0.0513 0.0573 107 LEU B C ? ? 1 +5170 O O . LEU B 106 0.1772 0.8149 0.8472 -0.0458 0.0534 0.0594 107 LEU B O ? ? 1 +5171 N N . PHE B 107 0.1670 0.8144 0.8437 -0.0412 0.0462 0.0565 108 PHE B N ? ? 1 +5172 C CA . PHE B 107 0.1742 0.8132 0.8397 -0.0385 0.0427 0.0579 108 PHE B CA ? ? 1 +5173 C CB . PHE B 107 0.1682 0.8106 0.8352 -0.0353 0.0371 0.0563 108 PHE B CB ? ? 1 +5174 C CG . PHE B 107 0.1756 0.8105 0.8315 -0.0323 0.0339 0.0572 108 PHE B CG ? ? 1 +5175 C CD1 . PHE B 107 0.1837 0.8151 0.8323 -0.0300 0.0358 0.0572 108 PHE B CD1 ? ? 1 +5176 C CD2 . PHE B 107 0.1760 0.8074 0.8290 -0.0318 0.0289 0.0578 108 PHE B CD2 ? ? 1 +5177 C CE1 . PHE B 107 0.1900 0.8145 0.8284 -0.0273 0.0326 0.0578 108 PHE B CE1 ? ? 1 +5178 C CE2 . PHE B 107 0.1806 0.8058 0.8242 -0.0291 0.0257 0.0583 108 PHE B CE2 ? ? 1 +5179 C CZ . PHE B 107 0.1872 0.8090 0.8235 -0.0269 0.0274 0.0582 108 PHE B CZ ? ? 1 +5180 C C . PHE B 107 0.1866 0.8179 0.8411 -0.0373 0.0470 0.0594 108 PHE B C ? ? 1 +5181 O O . PHE B 107 0.1966 0.8188 0.8411 -0.0369 0.0468 0.0613 108 PHE B O ? ? 1 +5182 N N . LEU B 108 0.1888 0.8234 0.8446 -0.0365 0.0510 0.0584 109 LEU B N ? ? 1 +5183 C CA . LEU B 108 0.2005 0.8279 0.8456 -0.0353 0.0554 0.0597 109 LEU B CA ? ? 1 +5184 C CB . LEU B 108 0.2036 0.8363 0.8520 -0.0339 0.0589 0.0581 109 LEU B CB ? ? 1 +5185 C CG . LEU B 108 0.2009 0.8367 0.8498 -0.0301 0.0541 0.0564 109 LEU B CG ? ? 1 +5186 C CD1 . LEU B 108 0.2031 0.8443 0.8557 -0.0286 0.0580 0.0548 109 LEU B CD1 ? ? 1 +5187 C CD2 . LEU B 108 0.2062 0.8329 0.8423 -0.0273 0.0504 0.0573 109 LEU B CD2 ? ? 1 +5188 C C . LEU B 108 0.2080 0.8294 0.8489 -0.0384 0.0609 0.0617 109 LEU B C ? ? 1 +5189 O O . LEU B 108 0.2181 0.8295 0.8466 -0.0373 0.0624 0.0637 109 LEU B O ? ? 1 +5190 N N . ALA B 109 0.2032 0.8304 0.8542 -0.0422 0.0636 0.0612 110 ALA B N ? ? 1 +5191 C CA . ALA B 109 0.2099 0.8316 0.8580 -0.0458 0.0689 0.0630 110 ALA B CA ? ? 1 +5192 C CB . ALA B 109 0.2044 0.8354 0.8665 -0.0501 0.0720 0.0616 110 ALA B CB ? ? 1 +5193 C C . ALA B 109 0.2113 0.8237 0.8512 -0.0459 0.0656 0.0651 110 ALA B C ? ? 1 +5194 O O . ALA B 109 0.2206 0.8235 0.8508 -0.0468 0.0692 0.0673 110 ALA B O ? ? 1 +5195 N N . ALA B 110 0.2031 0.8182 0.8468 -0.0448 0.0588 0.0643 111 ALA B N ? ? 1 +5196 C CA . ALA B 110 0.2071 0.8140 0.8432 -0.0440 0.0548 0.0660 111 ALA B CA ? ? 1 +5197 C CB . ALA B 110 0.1953 0.8076 0.8379 -0.0428 0.0477 0.0646 111 ALA B CB ? ? 1 +5198 C C . ALA B 110 0.2179 0.8145 0.8391 -0.0406 0.0542 0.0677 111 ALA B C ? ? 1 +5199 O O . ALA B 110 0.2256 0.8126 0.8376 -0.0408 0.0551 0.0699 111 ALA B O ? ? 1 +5200 N N . CYS B 111 0.2204 0.8188 0.8392 -0.0374 0.0527 0.0667 112 CYS B N ? ? 1 +5201 C CA . CYS B 111 0.2339 0.8231 0.8388 -0.0340 0.0516 0.0680 112 CYS B CA ? ? 1 +5202 C CB . CYS B 111 0.2369 0.8301 0.8419 -0.0309 0.0494 0.0661 112 CYS B CB ? ? 1 +5203 S SG . CYS B 111 0.2380 0.8385 0.8508 -0.0291 0.0409 0.0640 112 CYS B SG ? ? 1 +5204 C C . CYS B 111 0.2439 0.8242 0.8388 -0.0349 0.0583 0.0701 112 CYS B C ? ? 1 +5205 O O . CYS B 111 0.2538 0.8236 0.8364 -0.0334 0.0577 0.0721 112 CYS B O ? ? 1 +5206 N N . TRP B 112 0.2416 0.8261 0.8415 -0.0372 0.0648 0.0696 113 TRP B N ? ? 1 +5207 C CA . TRP B 112 0.2527 0.8293 0.8437 -0.0384 0.0721 0.0715 113 TRP B CA ? ? 1 +5208 C CB . TRP B 112 0.2502 0.8347 0.8502 -0.0410 0.0789 0.0701 113 TRP B CB ? ? 1 +5209 C CG . TRP B 112 0.2626 0.8393 0.8529 -0.0418 0.0867 0.0719 113 TRP B CG ? ? 1 +5210 C CD1 . TRP B 112 0.2699 0.8429 0.8515 -0.0390 0.0895 0.0719 113 TRP B CD1 ? ? 1 +5211 N NE1 . TRP B 112 0.2833 0.8485 0.8567 -0.0409 0.0972 0.0739 113 TRP B NE1 ? ? 1 +5212 C CE2 . TRP B 112 0.2845 0.8481 0.8614 -0.0452 0.0996 0.0751 113 TRP B CE2 ? ? 1 +5213 C CZ2 . TRP B 112 0.2969 0.8530 0.8683 -0.0486 0.1073 0.0771 113 TRP B CZ2 ? ? 1 +5214 C CH2 . TRP B 112 0.2959 0.8517 0.8726 -0.0528 0.1079 0.0778 113 TRP B CH2 ? ? 1 +5215 C CZ3 . TRP B 112 0.2829 0.8457 0.8701 -0.0534 0.1013 0.0765 113 TRP B CZ3 ? ? 1 +5216 C CE3 . TRP B 112 0.2705 0.8408 0.8630 -0.0498 0.0938 0.0745 113 TRP B CE3 ? ? 1 +5217 C CD2 . TRP B 112 0.2714 0.8421 0.8588 -0.0458 0.0930 0.0738 113 TRP B CD2 ? ? 1 +5218 C C . TRP B 112 0.2592 0.8277 0.8454 -0.0410 0.0736 0.0738 113 TRP B C ? ? 1 +5219 O O . TRP B 112 0.2727 0.8294 0.8451 -0.0399 0.0756 0.0761 113 TRP B O ? ? 1 +5220 N N . HIS B 113 0.2498 0.8243 0.8473 -0.0443 0.0727 0.0731 114 HIS B N ? ? 1 +5221 C CA . HIS B 113 0.2554 0.8227 0.8496 -0.0471 0.0743 0.0750 114 HIS B CA ? ? 1 +5222 C CB . HIS B 113 0.2439 0.8203 0.8530 -0.0514 0.0747 0.0735 114 HIS B CB ? ? 1 +5223 C CG . HIS B 113 0.2468 0.8266 0.8619 -0.0559 0.0828 0.0731 114 HIS B CG ? ? 1 +5224 N ND1 . HIS B 113 0.2603 0.8305 0.8676 -0.0587 0.0890 0.0753 114 HIS B ND1 ? ? 1 +5225 C CE1 . HIS B 113 0.2586 0.8354 0.8746 -0.0626 0.0955 0.0742 114 HIS B CE1 ? ? 1 +5226 N NE2 . HIS B 113 0.2462 0.8362 0.8748 -0.0619 0.0934 0.0714 114 HIS B NE2 ? ? 1 +5227 C CD2 . HIS B 113 0.2385 0.8301 0.8662 -0.0577 0.0855 0.0708 114 HIS B CD2 ? ? 1 +5228 C C . HIS B 113 0.2601 0.8184 0.8440 -0.0439 0.0683 0.0765 114 HIS B C ? ? 1 +5229 O O . HIS B 113 0.2706 0.8185 0.8455 -0.0446 0.0701 0.0788 114 HIS B O ? ? 1 +5230 N N . TRP B 114 0.2540 0.8159 0.8389 -0.0403 0.0612 0.0753 115 TRP B N ? ? 1 +5231 C CA . TRP B 114 0.2608 0.8149 0.8362 -0.0368 0.0555 0.0765 115 TRP B CA ? ? 1 +5232 C CB . TRP B 114 0.2510 0.8127 0.8324 -0.0341 0.0479 0.0744 115 TRP B CB ? ? 1 +5233 C CG . TRP B 114 0.2564 0.8120 0.8303 -0.0308 0.0418 0.0752 115 TRP B CG ? ? 1 +5234 C CD1 . TRP B 114 0.2634 0.8140 0.8274 -0.0266 0.0381 0.0754 115 TRP B CD1 ? ? 1 +5235 N NE1 . TRP B 114 0.2648 0.8117 0.8252 -0.0244 0.0324 0.0758 115 TRP B NE1 ? ? 1 +5236 C CE2 . TRP B 114 0.2598 0.8087 0.8275 -0.0271 0.0326 0.0761 115 TRP B CE2 ? ? 1 +5237 C CZ2 . TRP B 114 0.2578 0.8044 0.8253 -0.0262 0.0282 0.0765 115 TRP B CZ2 ? ? 1 +5238 C CH2 . TRP B 114 0.2532 0.8023 0.8286 -0.0295 0.0297 0.0765 115 TRP B CH2 ? ? 1 +5239 C CZ3 . TRP B 114 0.2510 0.8052 0.8348 -0.0340 0.0352 0.0761 115 TRP B CZ3 ? ? 1 +5240 C CE3 . TRP B 114 0.2522 0.8095 0.8369 -0.0349 0.0395 0.0755 115 TRP B CE3 ? ? 1 +5241 C CD2 . TRP B 114 0.2559 0.8103 0.8322 -0.0314 0.0384 0.0756 115 TRP B CD2 ? ? 1 +5242 C C . TRP B 114 0.2755 0.8179 0.8343 -0.0337 0.0570 0.0784 115 TRP B C ? ? 1 +5243 O O . TRP B 114 0.2849 0.8168 0.8331 -0.0325 0.0561 0.0806 115 TRP B O ? ? 1 +5244 N N . VAL B 115 0.2776 0.8214 0.8337 -0.0322 0.0591 0.0777 116 VAL B N ? ? 1 +5245 C CA . VAL B 115 0.2918 0.8249 0.8319 -0.0291 0.0604 0.0793 116 VAL B CA ? ? 1 +5246 C CB . VAL B 115 0.2888 0.8263 0.8288 -0.0268 0.0604 0.0775 116 VAL B CB ? ? 1 +5247 C CG1 . VAL B 115 0.3049 0.8309 0.8280 -0.0240 0.0630 0.0791 116 VAL B CG1 ? ? 1 +5248 C CG2 . VAL B 115 0.2771 0.8217 0.8227 -0.0241 0.0522 0.0753 116 VAL B CG2 ? ? 1 +5249 C C . VAL B 115 0.3099 0.8331 0.8412 -0.0313 0.0681 0.0818 116 VAL B C ? ? 1 +5250 O O . VAL B 115 0.3242 0.8352 0.8412 -0.0292 0.0678 0.0841 116 VAL B O ? ? 1 +5251 N N . TYR B 116 0.3113 0.8398 0.8510 -0.0357 0.0751 0.0814 117 TYR B N ? ? 1 +5252 C CA . TYR B 116 0.3262 0.8463 0.8587 -0.0385 0.0834 0.0837 117 TYR B CA ? ? 1 +5253 C CB . TYR B 116 0.3295 0.8559 0.8678 -0.0407 0.0905 0.0825 117 TYR B CB ? ? 1 +5254 C CG . TYR B 116 0.3347 0.8607 0.8662 -0.0365 0.0895 0.0817 117 TYR B CG ? ? 1 +5255 C CD1 . TYR B 116 0.3533 0.8665 0.8673 -0.0337 0.0917 0.0837 117 TYR B CD1 ? ? 1 +5256 C CD2 . TYR B 116 0.3240 0.8617 0.8659 -0.0351 0.0861 0.0788 117 TYR B CD2 ? ? 1 +5257 C CE1 . TYR B 116 0.3589 0.8713 0.8662 -0.0298 0.0907 0.0828 117 TYR B CE1 ? ? 1 +5258 C CE2 . TYR B 116 0.3292 0.8659 0.8646 -0.0312 0.0851 0.0780 117 TYR B CE2 ? ? 1 +5259 C CZ . TYR B 116 0.3479 0.8721 0.8660 -0.0287 0.0873 0.0799 117 TYR B CZ ? ? 1 +5260 O OH . TYR B 116 0.3596 0.8825 0.8709 -0.0249 0.0863 0.0789 117 TYR B OH ? ? 1 +5261 C C . TYR B 116 0.3264 0.8453 0.8642 -0.0427 0.0851 0.0846 117 TYR B C ? ? 1 +5262 O O . TYR B 116 0.3283 0.8515 0.8745 -0.0476 0.0913 0.0842 117 TYR B O ? ? 1 +5263 N N . TRP B 117 0.3258 0.8386 0.8583 -0.0408 0.0794 0.0857 118 TRP B N ? ? 1 +5264 C CA . TRP B 117 0.3253 0.8360 0.8617 -0.0440 0.0795 0.0865 118 TRP B CA ? ? 1 +5265 C CB . TRP B 117 0.3210 0.8287 0.8543 -0.0404 0.0710 0.0868 118 TRP B CB ? ? 1 +5266 C CG . TRP B 117 0.3320 0.8272 0.8476 -0.0353 0.0684 0.0888 118 TRP B CG ? ? 1 +5267 C CD1 . TRP B 117 0.3303 0.8260 0.8404 -0.0307 0.0642 0.0880 118 TRP B CD1 ? ? 1 +5268 N NE1 . TRP B 117 0.3457 0.8278 0.8386 -0.0270 0.0631 0.0903 118 TRP B NE1 ? ? 1 +5269 C CE2 . TRP B 117 0.3564 0.8285 0.8431 -0.0290 0.0669 0.0928 118 TRP B CE2 ? ? 1 +5270 C CZ2 . TRP B 117 0.3753 0.8319 0.8449 -0.0264 0.0673 0.0957 118 TRP B CZ2 ? ? 1 +5271 C CH2 . TRP B 117 0.3840 0.8324 0.8505 -0.0296 0.0719 0.0978 118 TRP B CH2 ? ? 1 +5272 C CZ3 . TRP B 117 0.3746 0.8305 0.8551 -0.0355 0.0757 0.0969 118 TRP B CZ3 ? ? 1 +5273 C CE3 . TRP B 117 0.3564 0.8282 0.8541 -0.0379 0.0749 0.0939 118 TRP B CE3 ? ? 1 +5274 C CD2 . TRP B 117 0.3475 0.8276 0.8484 -0.0345 0.0705 0.0918 118 TRP B CD2 ? ? 1 +5275 C C . TRP B 117 0.3455 0.8434 0.8712 -0.0467 0.0868 0.0894 118 TRP B C ? ? 1 +5276 O O . TRP B 117 0.3454 0.8425 0.8761 -0.0508 0.0894 0.0898 118 TRP B O ? ? 1 +5277 N N . ASP B 118 0.3661 0.8531 0.8763 -0.0441 0.0898 0.0914 119 ASP B N ? ? 1 +5278 C CA . ASP B 118 0.3910 0.8634 0.8882 -0.0459 0.0961 0.0945 119 ASP B CA ? ? 1 +5279 C CB . ASP B 118 0.4093 0.8672 0.8863 -0.0402 0.0935 0.0969 119 ASP B CB ? ? 1 +5280 C CG . ASP B 118 0.4342 0.8754 0.8966 -0.0414 0.0986 0.1003 119 ASP B CG ? ? 1 +5281 O OD1 . ASP B 118 0.4393 0.8797 0.9074 -0.0460 0.1016 0.1009 119 ASP B OD1 ? ? 1 +5282 O OD2 . ASP B 118 0.4543 0.8828 0.8991 -0.0379 0.0999 0.1025 119 ASP B OD2 ? ? 1 +5283 C C . ASP B 118 0.4011 0.8748 0.9008 -0.0506 0.1062 0.0946 119 ASP B C ? ? 1 +5284 O O . ASP B 118 0.4148 0.8790 0.9015 -0.0495 0.1114 0.0964 119 ASP B O ? ? 1 +5285 N N . LEU B 119 0.3950 0.8803 0.9116 -0.0558 0.1091 0.0926 120 LEU B N ? ? 1 +5286 C CA . LEU B 119 0.4047 0.8926 0.9258 -0.0608 0.1188 0.0924 120 LEU B CA ? ? 1 +5287 C CB . LEU B 119 0.3892 0.8952 0.9316 -0.0643 0.1188 0.0889 120 LEU B CB ? ? 1 +5288 C CG . LEU B 119 0.3783 0.8962 0.9281 -0.0603 0.1133 0.0863 120 LEU B CG ? ? 1 +5289 C CD1 . LEU B 119 0.3623 0.8973 0.9323 -0.0637 0.1141 0.0830 120 LEU B CD1 ? ? 1 +5290 C CD2 . LEU B 119 0.3897 0.9030 0.9284 -0.0568 0.1163 0.0870 120 LEU B CD2 ? ? 1 +5291 C C . LEU B 119 0.4228 0.8990 0.9372 -0.0653 0.1254 0.0949 120 LEU B C ? ? 1 +5292 O O . LEU B 119 0.4199 0.8936 0.9366 -0.0670 0.1227 0.0953 120 LEU B O ? ? 1 +5293 N N . GLU B 120 0.4440 0.9131 0.9503 -0.0674 0.1344 0.0964 121 GLU B N ? ? 1 +5294 C CA . GLU B 120 0.4642 0.9215 0.9633 -0.0722 0.1422 0.0989 121 GLU B CA ? ? 1 +5295 C CB . GLU B 120 0.4921 0.9436 0.9825 -0.0735 0.1519 0.1001 121 GLU B CB ? ? 1 +5296 C CG . GLU B 120 0.5227 0.9648 1.0088 -0.0798 0.1622 0.1021 121 GLU B CG ? ? 1 +5297 C CD . GLU B 120 0.5606 0.9818 1.0263 -0.0786 0.1633 0.1061 121 GLU B CD ? ? 1 +5298 O OE1 . GLU B 120 0.5718 0.9854 1.0264 -0.0725 0.1554 0.1074 121 GLU B OE1 ? ? 1 +5299 O OE2 . GLU B 120 0.5914 1.0037 1.0524 -0.0839 0.1723 0.1078 121 GLU B OE2 ? ? 1 +5300 C C . GLU B 120 0.4470 0.9128 0.9626 -0.0789 0.1443 0.0971 121 GLU B C ? ? 1 +5301 O O . GLU B 120 0.4531 0.9089 0.9637 -0.0822 0.1469 0.0989 121 GLU B O ? ? 1 +5302 N N . LEU B 121 0.4242 0.9080 0.9589 -0.0808 0.1429 0.0936 122 LEU B N ? ? 1 +5303 C CA . LEU B 121 0.4119 0.9053 0.9633 -0.0868 0.1439 0.0915 122 LEU B CA ? ? 1 +5304 C CB . LEU B 121 0.3907 0.9042 0.9615 -0.0871 0.1414 0.0875 122 LEU B CB ? ? 1 +5305 C CG . LEU B 121 0.3778 0.9034 0.9673 -0.0927 0.1413 0.0847 122 LEU B CG ? ? 1 +5306 C CD1 . LEU B 121 0.3889 0.9133 0.9821 -0.0999 0.1516 0.0848 122 LEU B CD1 ? ? 1 +5307 C CD2 . LEU B 121 0.3593 0.9032 0.9652 -0.0911 0.1369 0.0811 122 LEU B CD2 ? ? 1 +5308 C C . LEU B 121 0.4095 0.8983 0.9605 -0.0867 0.1375 0.0920 122 LEU B C ? ? 1 +5309 O O . LEU B 121 0.4096 0.8978 0.9666 -0.0922 0.1405 0.0917 122 LEU B O ? ? 1 +5310 N N . PHE B 122 0.4090 0.8947 0.9531 -0.0805 0.1289 0.0927 123 PHE B N ? ? 1 +5311 C CA . PHE B 122 0.4071 0.8888 0.9506 -0.0795 0.1223 0.0931 123 PHE B CA ? ? 1 +5312 C CB . PHE B 122 0.3897 0.8767 0.9338 -0.0730 0.1121 0.0920 123 PHE B CB ? ? 1 +5313 C CG . PHE B 122 0.3704 0.8749 0.9298 -0.0725 0.1094 0.0887 123 PHE B CG ? ? 1 +5314 C CD1 . PHE B 122 0.3601 0.8776 0.9369 -0.0776 0.1119 0.0860 123 PHE B CD1 ? ? 1 +5315 C CD2 . PHE B 122 0.3629 0.8708 0.9193 -0.0668 0.1046 0.0881 123 PHE B CD2 ? ? 1 +5316 C CE1 . PHE B 122 0.3447 0.8778 0.9349 -0.0768 0.1094 0.0830 123 PHE B CE1 ? ? 1 +5317 C CE2 . PHE B 122 0.3482 0.8713 0.9179 -0.0663 0.1024 0.0852 123 PHE B CE2 ? ? 1 +5318 C CZ . PHE B 122 0.3395 0.8750 0.9259 -0.0711 0.1048 0.0827 123 PHE B CZ ? ? 1 +5319 C C . PHE B 122 0.4324 0.8949 0.9586 -0.0793 0.1243 0.0966 123 PHE B C ? ? 1 +5320 O O . PHE B 122 0.4319 0.8902 0.9574 -0.0789 0.1197 0.0970 123 PHE B O ? ? 1 +5321 N N . ARG B 123 0.4614 0.9118 0.9734 -0.0794 0.1312 0.0993 124 ARG B N ? ? 1 +5322 C CA . ARG B 123 0.4918 0.9229 0.9865 -0.0796 0.1344 0.1028 124 ARG B CA ? ? 1 +5323 C CB . ARG B 123 0.5182 0.9367 0.9939 -0.0755 0.1376 0.1056 124 ARG B CB ? ? 1 +5324 C CG . ARG B 123 0.5213 0.9432 0.9927 -0.0679 0.1298 0.1051 124 ARG B CG ? ? 1 +5325 C CD . ARG B 123 0.5281 0.9484 0.9978 -0.0633 0.1198 0.1051 124 ARG B CD ? ? 1 +5326 N NE . ARG B 123 0.5389 0.9604 1.0023 -0.0561 0.1127 0.1048 124 ARG B NE ? ? 1 +5327 C CZ . ARG B 123 0.5641 0.9735 1.0121 -0.0504 0.1077 0.1069 124 ARG B CZ ? ? 1 +5328 N NH1 . ARG B 123 0.5935 0.9860 1.0267 -0.0504 0.1106 0.1101 124 ARG B NH1 ? ? 1 +5329 N NH2 . ARG B 123 0.5597 0.9739 1.0069 -0.0444 0.0995 0.1057 124 ARG B NH2 ? ? 1 +5330 C C . ARG B 123 0.5031 0.9300 1.0009 -0.0876 0.1434 0.1033 124 ARG B C ? ? 1 +5331 O O . ARG B 123 0.5027 0.9377 1.0098 -0.0924 0.1503 0.1019 124 ARG B O ? ? 1 +5332 N N . ASP B 124 0.5181 0.9321 1.0078 -0.0888 0.1433 0.1053 125 ASP B N ? ? 1 +5333 C CA . ASP B 124 0.5379 0.9434 1.0261 -0.0960 0.1521 0.1064 125 ASP B CA ? ? 1 +5334 C CB . ASP B 124 0.5521 0.9448 1.0327 -0.0961 0.1494 0.1081 125 ASP B CB ? ? 1 +5335 C CG . ASP B 124 0.5719 0.9556 1.0516 -0.1041 0.1582 0.1091 125 ASP B CG ? ? 1 +5336 O OD1 . ASP B 124 0.5918 0.9645 1.0604 -0.1065 0.1668 0.1114 125 ASP B OD1 ? ? 1 +5337 O OD2 . ASP B 124 0.5760 0.9632 1.0656 -0.1080 0.1564 0.1075 125 ASP B OD2 ? ? 1 +5338 C C . ASP B 124 0.5607 0.9533 1.0330 -0.0963 0.1608 0.1094 125 ASP B C ? ? 1 +5339 O O . ASP B 124 0.5737 0.9533 1.0278 -0.0903 0.1588 0.1122 125 ASP B O ? ? 1 +5340 N N . PRO B 125 0.5659 0.9620 1.0446 -0.1031 0.1707 0.1087 126 PRO B N ? ? 1 +5341 C CA . PRO B 125 0.5868 0.9707 1.0508 -0.1039 0.1800 0.1115 126 PRO B CA ? ? 1 +5342 C CB . PRO B 125 0.5854 0.9796 1.0645 -0.1126 0.1896 0.1093 126 PRO B CB ? ? 1 +5343 C CG . PRO B 125 0.5624 0.9778 1.0649 -0.1142 0.1837 0.1049 126 PRO B CG ? ? 1 +5344 C CD . PRO B 125 0.5534 0.9659 1.0542 -0.1102 0.1735 0.1051 126 PRO B CD ? ? 1 +5345 C C . PRO B 125 0.6121 0.9721 1.0540 -0.1035 0.1834 0.1158 126 PRO B C ? ? 1 +5346 O O . PRO B 125 0.6293 0.9765 1.0541 -0.1011 0.1881 0.1186 126 PRO B O ? ? 1 +5347 N N . ARG B 126 0.6189 0.9724 1.0609 -0.1058 0.1813 0.1163 127 ARG B N ? ? 1 +5348 C CA . ARG B 126 0.6501 0.9804 1.0717 -0.1056 0.1845 0.1203 127 ARG B CA ? ? 1 +5349 C CB . ARG B 126 0.6660 0.9932 1.0943 -0.1123 0.1864 0.1198 127 ARG B CB ? ? 1 +5350 C CG . ARG B 126 0.6774 1.0150 1.1224 -0.1224 0.1958 0.1173 127 ARG B CG ? ? 1 +5351 C CD . ARG B 126 0.6939 1.0278 1.1451 -0.1297 0.1982 0.1166 127 ARG B CD ? ? 1 +5352 N NE . ARG B 126 0.6951 1.0400 1.1598 -0.1284 0.1885 0.1138 127 ARG B NE ? ? 1 +5353 C CZ . ARG B 126 0.6837 1.0506 1.1695 -0.1290 0.1838 0.1096 127 ARG B CZ ? ? 1 +5354 N NH1 . ARG B 126 0.6857 1.0669 1.1828 -0.1311 0.1877 0.1075 127 ARG B NH1 ? ? 1 +5355 N NH2 . ARG B 126 0.6672 1.0413 1.1623 -0.1273 0.1750 0.1076 127 ARG B NH2 ? ? 1 +5356 C C . ARG B 126 0.6526 0.9720 1.0577 -0.0961 0.1755 0.1226 127 ARG B C ? ? 1 +5357 O O . ARG B 126 0.6704 0.9730 1.0548 -0.0924 0.1779 0.1261 127 ARG B O ? ? 1 +5358 N N . THR B 127 0.6342 0.9636 1.0489 -0.0923 0.1650 0.1205 128 THR B N ? ? 1 +5359 C CA . THR B 127 0.6345 0.9548 1.0361 -0.0839 0.1560 0.1223 128 THR B CA ? ? 1 +5360 C CB . THR B 127 0.6217 0.9469 1.0332 -0.0838 0.1486 0.1206 128 THR B CB ? ? 1 +5361 O OG1 . THR B 127 0.5959 0.9428 1.0277 -0.0835 0.1426 0.1166 128 THR B OG1 ? ? 1 +5362 C CG2 . THR B 127 0.6302 0.9490 1.0449 -0.0916 0.1548 0.1208 128 THR B CG2 ? ? 1 +5363 C C . THR B 127 0.6267 0.9547 1.0268 -0.0764 0.1492 0.1215 128 THR B C ? ? 1 +5364 O O . THR B 127 0.6352 0.9526 1.0199 -0.0692 0.1436 0.1235 128 THR B O ? ? 1 +5365 N N . GLY B 128 0.6105 0.9571 1.0268 -0.0780 0.1493 0.1183 129 GLY B N ? ? 1 +5366 C CA . GLY B 128 0.5958 0.9510 1.0125 -0.0716 0.1430 0.1171 129 GLY B CA ? ? 1 +5367 C C . GLY B 128 0.5748 0.9406 1.0009 -0.0669 0.1315 0.1149 129 GLY B C ? ? 1 +5368 O O . GLY B 128 0.5619 0.9340 0.9877 -0.0613 0.1253 0.1139 129 GLY B O ? ? 1 +5369 N N . GLU B 129 0.5683 0.9360 1.0028 -0.0696 0.1289 0.1140 130 GLU B N ? ? 1 +5370 C CA . GLU B 129 0.5520 0.9300 0.9965 -0.0660 0.1187 0.1118 130 GLU B CA ? ? 1 +5371 C CB . GLU B 129 0.5689 0.9372 1.0099 -0.0666 0.1166 0.1129 130 GLU B CB ? ? 1 +5372 C CG . GLU B 129 0.6060 0.9531 1.0241 -0.0618 0.1164 0.1168 130 GLU B CG ? ? 1 +5373 C CD . GLU B 129 0.6215 0.9676 1.0314 -0.0527 0.1070 0.1171 130 GLU B CD ? ? 1 +5374 O OE1 . GLU B 129 0.6061 0.9614 1.0254 -0.0499 0.0988 0.1150 130 GLU B OE1 ? ? 1 +5375 O OE2 . GLU B 129 0.6539 0.9899 1.0480 -0.0486 0.1080 0.1193 130 GLU B OE2 ? ? 1 +5376 C C . GLU B 129 0.5220 0.9213 0.9894 -0.0697 0.1175 0.1078 130 GLU B C ? ? 1 +5377 O O . GLU B 129 0.5211 0.9261 0.9982 -0.0764 0.1244 0.1067 130 GLU B O ? ? 1 +5378 N N . PRO B 130 0.4973 0.9090 0.9741 -0.0656 0.1087 0.1054 131 PRO B N ? ? 1 +5379 C CA . PRO B 130 0.4715 0.9026 0.9694 -0.0689 0.1071 0.1017 131 PRO B CA ? ? 1 +5380 C CB . PRO B 130 0.4576 0.8966 0.9594 -0.0628 0.0967 0.1001 131 PRO B CB ? ? 1 +5381 C CG . PRO B 130 0.4692 0.8950 0.9524 -0.0561 0.0935 0.1027 131 PRO B CG ? ? 1 +5382 C CD . PRO B 130 0.4934 0.9011 0.9613 -0.0578 0.0999 0.1061 131 PRO B CD ? ? 1 +5383 C C . PRO B 130 0.4631 0.8963 0.9714 -0.0753 0.1096 0.1006 131 PRO B C ? ? 1 +5384 O O . PRO B 130 0.4703 0.8939 0.9728 -0.0749 0.1075 0.1018 131 PRO B O ? ? 1 +5385 N N . ALA B 131 0.4485 0.8942 0.9721 -0.0811 0.1141 0.0981 132 ALA B N ? ? 1 +5386 C CA . ALA B 131 0.4416 0.8895 0.9752 -0.0879 0.1174 0.0969 132 ALA B CA ? ? 1 +5387 C CB . ALA B 131 0.4624 0.8949 0.9848 -0.0925 0.1264 0.0996 132 ALA B CB ? ? 1 +5388 C C . ALA B 131 0.4194 0.8860 0.9731 -0.0924 0.1189 0.0932 132 ALA B C ? ? 1 +5389 O O . ALA B 131 0.4187 0.8924 0.9757 -0.0924 0.1222 0.0925 132 ALA B O ? ? 1 +5390 N N . LEU B 132 0.4008 0.8751 0.9674 -0.0958 0.1162 0.0908 133 LEU B N ? ? 1 +5391 C CA . LEU B 132 0.3798 0.8715 0.9658 -0.1003 0.1172 0.0872 133 LEU B CA ? ? 1 +5392 C CB . LEU B 132 0.3597 0.8647 0.9567 -0.0965 0.1081 0.0845 133 LEU B CB ? ? 1 +5393 C CG . LEU B 132 0.3519 0.8617 0.9460 -0.0899 0.1036 0.0846 133 LEU B CG ? ? 1 +5394 C CD1 . LEU B 132 0.3361 0.8562 0.9390 -0.0863 0.0945 0.0824 133 LEU B CD1 ? ? 1 +5395 C CD2 . LEU B 132 0.3486 0.8677 0.9490 -0.0913 0.1084 0.0834 133 LEU B CD2 ? ? 1 +5396 C C . LEU B 132 0.3802 0.8694 0.9720 -0.1076 0.1215 0.0864 133 LEU B C ? ? 1 +5397 O O . LEU B 132 0.3803 0.8626 0.9691 -0.1077 0.1181 0.0869 133 LEU B O ? ? 1 +5398 N N . ASP B 133 0.3787 0.8731 0.9783 -0.1138 0.1293 0.0852 134 ASP B N ? ? 1 +5399 C CA . ASP B 133 0.3805 0.8743 0.9874 -0.1215 0.1339 0.0840 134 ASP B CA ? ? 1 +5400 C CB . ASP B 133 0.3917 0.8853 1.0002 -0.1275 0.1444 0.0841 134 ASP B CB ? ? 1 +5401 C CG . ASP B 133 0.4000 0.8907 1.0141 -0.1360 0.1500 0.0831 134 ASP B CG ? ? 1 +5402 O OD1 . ASP B 133 0.4036 0.8884 1.0164 -0.1369 0.1462 0.0830 134 ASP B OD1 ? ? 1 +5403 O OD2 . ASP B 133 0.4073 0.9013 1.0269 -0.1417 0.1583 0.0823 134 ASP B OD2 ? ? 1 +5404 C C . ASP B 133 0.3598 0.8704 0.9857 -0.1233 0.1284 0.0798 134 ASP B C ? ? 1 +5405 O O . ASP B 133 0.3542 0.8793 0.9949 -0.1267 0.1307 0.0768 134 ASP B O ? ? 1 +5406 N N . LEU B 134 0.3493 0.8579 0.9745 -0.1207 0.1210 0.0795 135 LEU B N ? ? 1 +5407 C CA . LEU B 134 0.3269 0.8503 0.9678 -0.1209 0.1145 0.0759 135 LEU B CA ? ? 1 +5408 C CB . LEU B 134 0.3226 0.8393 0.9574 -0.1167 0.1068 0.0766 135 LEU B CB ? ? 1 +5409 C CG . LEU B 134 0.3225 0.8331 0.9448 -0.1086 0.1019 0.0791 135 LEU B CG ? ? 1 +5410 C CD1 . LEU B 134 0.3222 0.8256 0.9386 -0.1050 0.0952 0.0798 135 LEU B CD1 ? ? 1 +5411 C CD2 . LEU B 134 0.3074 0.8321 0.9375 -0.1045 0.0978 0.0774 135 LEU B CD2 ? ? 1 +5412 C C . LEU B 134 0.3202 0.8520 0.9759 -0.1288 0.1183 0.0727 135 LEU B C ? ? 1 +5413 O O . LEU B 134 0.3060 0.8538 0.9769 -0.1296 0.1154 0.0693 135 LEU B O ? ? 1 +5414 N N . PRO B 135 0.3305 0.8518 0.9821 -0.1350 0.1244 0.0735 136 PRO B N ? ? 1 +5415 C CA . PRO B 135 0.3283 0.8582 0.9946 -0.1431 0.1286 0.0703 136 PRO B CA ? ? 1 +5416 C CB . PRO B 135 0.3477 0.8604 1.0029 -0.1483 0.1357 0.0727 136 PRO B CB ? ? 1 +5417 C CG . PRO B 135 0.3555 0.8518 0.9927 -0.1421 0.1312 0.0763 136 PRO B CG ? ? 1 +5418 C CD . PRO B 135 0.3479 0.8487 0.9812 -0.1344 0.1273 0.0775 136 PRO B CD ? ? 1 +5419 C C . PRO B 135 0.3199 0.8647 0.9991 -0.1458 0.1332 0.0680 136 PRO B C ? ? 1 +5420 O O . PRO B 135 0.3080 0.8680 1.0039 -0.1488 0.1315 0.0641 136 PRO B O ? ? 1 +5421 N N . LYS B 136 0.3264 0.8670 0.9975 -0.1443 0.1389 0.0703 137 LYS B N ? ? 1 +5422 C CA . LYS B 136 0.3209 0.8753 1.0034 -0.1461 0.1433 0.0682 137 LYS B CA ? ? 1 +5423 C CB . LYS B 136 0.3369 0.8814 1.0073 -0.1464 0.1519 0.0714 137 LYS B CB ? ? 1 +5424 C CG . LYS B 136 0.3357 0.8930 1.0185 -0.1504 0.1589 0.0691 137 LYS B CG ? ? 1 +5425 C CD . LYS B 136 0.3524 0.8991 1.0229 -0.1511 0.1679 0.0721 137 LYS B CD ? ? 1 +5426 C CE . LYS B 136 0.3723 0.9028 1.0331 -0.1573 0.1749 0.0743 137 LYS B CE ? ? 1 +5427 N NZ . LYS B 136 0.3901 0.9092 1.0374 -0.1578 0.1841 0.0775 137 LYS B NZ ? ? 1 +5428 C C . LYS B 136 0.3027 0.8721 0.9937 -0.1400 0.1364 0.0663 137 LYS B C ? ? 1 +5429 O O . LYS B 136 0.2935 0.8791 1.0003 -0.1419 0.1368 0.0629 137 LYS B O ? ? 1 +5430 N N . MET B 137 0.2981 0.8621 0.9788 -0.1327 0.1299 0.0683 138 MET B N ? ? 1 +5431 C CA . MET B 137 0.2814 0.8581 0.9690 -0.1269 0.1230 0.0666 138 MET B CA ? ? 1 +5432 C CB . MET B 137 0.2828 0.8505 0.9569 -0.1195 0.1163 0.0692 138 MET B CB ? ? 1 +5433 C CG . MET B 137 0.2944 0.8522 0.9536 -0.1156 0.1196 0.0726 138 MET B CG ? ? 1 +5434 S SD . MET B 137 0.2991 0.8451 0.9424 -0.1076 0.1115 0.0755 138 MET B SD ? ? 1 +5435 C CE . MET B 137 0.2781 0.8402 0.9343 -0.1036 0.1026 0.0723 138 MET B CE ? ? 1 +5436 C C . MET B 137 0.2645 0.8554 0.9689 -0.1289 0.1177 0.0626 138 MET B C ? ? 1 +5437 O O . MET B 137 0.2521 0.8580 0.9687 -0.1275 0.1155 0.0599 138 MET B O ? ? 1 +5438 N N . PHE B 138 0.2643 0.8497 0.9686 -0.1317 0.1153 0.0622 139 PHE B N ? ? 1 +5439 C CA . PHE B 138 0.2507 0.8478 0.9697 -0.1340 0.1104 0.0584 139 PHE B CA ? ? 1 +5440 C CB . PHE B 138 0.2557 0.8421 0.9698 -0.1366 0.1084 0.0589 139 PHE B CB ? ? 1 +5441 C CG . PHE B 138 0.2447 0.8424 0.9734 -0.1395 0.1038 0.0548 139 PHE B CG ? ? 1 +5442 C CD1 . PHE B 138 0.2296 0.8375 0.9648 -0.1347 0.0957 0.0530 139 PHE B CD1 ? ? 1 +5443 C CD2 . PHE B 138 0.2494 0.8480 0.9859 -0.1473 0.1077 0.0527 139 PHE B CD2 ? ? 1 +5444 C CE1 . PHE B 138 0.2212 0.8392 0.9691 -0.1372 0.0914 0.0492 139 PHE B CE1 ? ? 1 +5445 C CE2 . PHE B 138 0.2401 0.8493 0.9899 -0.1498 0.1032 0.0487 139 PHE B CE2 ? ? 1 +5446 C CZ . PHE B 138 0.2265 0.8452 0.9817 -0.1447 0.0950 0.0471 139 PHE B CZ ? ? 1 +5447 C C . PHE B 138 0.2463 0.8568 0.9815 -0.1401 0.1152 0.0549 139 PHE B C ? ? 1 +5448 O O . PHE B 138 0.2324 0.8581 0.9815 -0.1395 0.1111 0.0515 139 PHE B O ? ? 1 +5449 N N . GLY B 139 0.2577 0.8625 0.9910 -0.1460 0.1240 0.0557 140 GLY B N ? ? 1 +5450 C CA . GLY B 139 0.2562 0.8738 1.0048 -0.1520 0.1294 0.0524 140 GLY B CA ? ? 1 +5451 C C . GLY B 139 0.2453 0.8774 1.0025 -0.1482 0.1292 0.0509 140 GLY B C ? ? 1 +5452 O O . GLY B 139 0.2337 0.8819 1.0070 -0.1493 0.1267 0.0469 140 GLY B O ? ? 1 +5453 N N . ILE B 140 0.2486 0.8745 0.9942 -0.1434 0.1313 0.0539 141 ILE B N ? ? 1 +5454 C CA . ILE B 140 0.2399 0.8773 0.9909 -0.1392 0.1311 0.0529 141 ILE B CA ? ? 1 +5455 C CB . ILE B 140 0.2472 0.8732 0.9815 -0.1341 0.1335 0.0569 141 ILE B CB ? ? 1 +5456 C CG1 . ILE B 140 0.2650 0.8793 0.9904 -0.1389 0.1437 0.0593 141 ILE B CG1 ? ? 1 +5457 C CG2 . ILE B 140 0.2382 0.8751 0.9769 -0.1289 0.1322 0.0558 141 ILE B CG2 ? ? 1 +5458 C CD1 . ILE B 140 0.2752 0.8765 0.9828 -0.1345 0.1463 0.0633 141 ILE B CD1 ? ? 1 +5459 C C . ILE B 140 0.2233 0.8732 0.9838 -0.1344 0.1218 0.0503 141 ILE B C ? ? 1 +5460 O O . ILE B 140 0.2146 0.8801 0.9896 -0.1347 0.1212 0.0469 141 ILE B O ? ? 1 +5461 N N . HIS B 141 0.2200 0.8629 0.9721 -0.1300 0.1145 0.0518 142 HIS B N ? ? 1 +5462 C CA . HIS B 141 0.2053 0.8579 0.9640 -0.1252 0.1057 0.0498 142 HIS B CA ? ? 1 +5463 C CB . HIS B 141 0.2050 0.8462 0.9506 -0.1203 0.0993 0.0525 142 HIS B CB ? ? 1 +5464 C CG . HIS B 141 0.2102 0.8419 0.9412 -0.1152 0.1003 0.0560 142 HIS B CG ? ? 1 +5465 N ND1 . HIS B 141 0.2128 0.8327 0.9306 -0.1112 0.0961 0.0587 142 HIS B ND1 ? ? 1 +5466 C CE1 . HIS B 141 0.2178 0.8319 0.9251 -0.1073 0.0981 0.0612 142 HIS B CE1 ? ? 1 +5467 N NE2 . HIS B 141 0.2182 0.8393 0.9308 -0.1085 0.1034 0.0602 142 HIS B NE2 ? ? 1 +5468 C CD2 . HIS B 141 0.2137 0.8463 0.9417 -0.1135 0.1050 0.0569 142 HIS B CD2 ? ? 1 +5469 C C . HIS B 141 0.1977 0.8625 0.9726 -0.1290 0.1026 0.0457 142 HIS B C ? ? 1 +5470 O O . HIS B 141 0.1857 0.8639 0.9713 -0.1265 0.0983 0.0429 142 HIS B O ? ? 1 +5471 N N . LEU B 142 0.2056 0.8650 0.9813 -0.1350 0.1045 0.0452 143 LEU B N ? ? 1 +5472 C CA . LEU B 142 0.2012 0.8714 0.9919 -0.1394 0.1021 0.0411 143 LEU B CA ? ? 1 +5473 C CB . LEU B 142 0.2117 0.8719 0.9996 -0.1458 0.1047 0.0414 143 LEU B CB ? ? 1 +5474 C CG . LEU B 142 0.2068 0.8759 1.0083 -0.1505 0.1014 0.0372 143 LEU B CG ? ? 1 +5475 C CD1 . LEU B 142 0.1952 0.8690 0.9988 -0.1455 0.0916 0.0358 143 LEU B CD1 ? ? 1 +5476 C CD2 . LEU B 142 0.2185 0.8757 1.0152 -0.1567 0.1046 0.0378 143 LEU B CD2 ? ? 1 +5477 C C . LEU B 142 0.1985 0.8842 1.0047 -0.1424 0.1063 0.0378 143 LEU B C ? ? 1 +5478 O O . LEU B 142 0.1882 0.8878 1.0079 -0.1422 0.1017 0.0341 143 LEU B O ? ? 1 +5479 N N . PHE B 143 0.2088 0.8920 1.0129 -0.1452 0.1149 0.0390 144 PHE B N ? ? 1 +5480 C CA . PHE B 143 0.2083 0.9060 1.0268 -0.1481 0.1197 0.0359 144 PHE B CA ? ? 1 +5481 C CB . PHE B 143 0.2209 0.9117 1.0332 -0.1513 0.1302 0.0382 144 PHE B CB ? ? 1 +5482 C CG . PHE B 143 0.2197 0.9246 1.0454 -0.1536 0.1361 0.0355 144 PHE B CG ? ? 1 +5483 C CD1 . PHE B 143 0.2208 0.9356 1.0617 -0.1609 0.1399 0.0318 144 PHE B CD1 ? ? 1 +5484 C CD2 . PHE B 143 0.2180 0.9266 1.0413 -0.1484 0.1380 0.0364 144 PHE B CD2 ? ? 1 +5485 C CE1 . PHE B 143 0.2200 0.9485 1.0739 -0.1629 0.1455 0.0291 144 PHE B CE1 ? ? 1 +5486 C CE2 . PHE B 143 0.2173 0.9391 1.0530 -0.1503 0.1438 0.0338 144 PHE B CE2 ? ? 1 +5487 C CZ . PHE B 143 0.2183 0.9502 1.0694 -0.1574 0.1475 0.0301 144 PHE B CZ ? ? 1 +5488 C C . PHE B 143 0.1977 0.9081 1.0225 -0.1414 0.1149 0.0344 144 PHE B C ? ? 1 +5489 O O . PHE B 143 0.1901 0.9163 1.0308 -0.1423 0.1134 0.0304 144 PHE B O ? ? 1 +5490 N N . LEU B 144 0.1969 0.9000 1.0090 -0.1347 0.1125 0.0376 145 LEU B N ? ? 1 +5491 C CA . LEU B 144 0.1876 0.9004 1.0034 -0.1280 0.1079 0.0366 145 LEU B CA ? ? 1 +5492 C CB . LEU B 144 0.1917 0.8934 0.9910 -0.1216 0.1067 0.0405 145 LEU B CB ? ? 1 +5493 C CG . LEU B 144 0.2048 0.8992 0.9949 -0.1219 0.1150 0.0432 145 LEU B CG ? ? 1 +5494 C CD1 . LEU B 144 0.2067 0.8897 0.9807 -0.1159 0.1128 0.0467 145 LEU B CD1 ? ? 1 +5495 C CD2 . LEU B 144 0.2041 0.9120 1.0054 -0.1217 0.1196 0.0407 145 LEU B CD2 ? ? 1 +5496 C C . LEU B 144 0.1752 0.8970 0.9996 -0.1257 0.0988 0.0337 145 LEU B C ? ? 1 +5497 O O . LEU B 144 0.1672 0.9028 1.0029 -0.1232 0.0962 0.0308 145 LEU B O ? ? 1 +5498 N N . ALA B 145 0.1743 0.8875 0.9927 -0.1262 0.0941 0.0347 146 ALA B N ? ? 1 +5499 C CA . ALA B 145 0.1628 0.8826 0.9878 -0.1243 0.0856 0.0323 146 ALA B CA ? ? 1 +5500 C CB . ALA B 145 0.1650 0.8723 0.9801 -0.1248 0.0819 0.0342 146 ALA B CB ? ? 1 +5501 C C . ALA B 145 0.1581 0.8921 1.0006 -0.1291 0.0857 0.0277 146 ALA B C ? ? 1 +5502 O O . ALA B 145 0.1476 0.8933 0.9998 -0.1264 0.0801 0.0248 146 ALA B O ? ? 1 +5503 N N . GLY B 146 0.1669 0.8993 1.0132 -0.1362 0.0921 0.0270 147 GLY B N ? ? 1 +5504 C CA . GLY B 146 0.1657 0.9117 1.0291 -0.1415 0.0935 0.0225 147 GLY B CA ? ? 1 +5505 C C . GLY B 146 0.1592 0.9212 1.0345 -0.1386 0.0941 0.0199 147 GLY B C ? ? 1 +5506 O O . GLY B 146 0.1501 0.9249 1.0373 -0.1372 0.0886 0.0162 147 GLY B O ? ? 1 +5507 N N A LEU B 147 0.1640 0.9244 1.0353 -0.1375 0.1008 0.0218 148 LEU B N ? ? 1 +5508 N N B LEU B 147 0.1654 0.9258 1.0366 -0.1375 0.1007 0.0218 148 LEU B N ? ? 1 +5509 C CA A LEU B 147 0.1590 0.9333 1.0403 -0.1346 0.1023 0.0196 148 LEU B CA ? ? 1 +5510 C CA B LEU B 147 0.1616 0.9359 1.0429 -0.1346 0.1023 0.0196 148 LEU B CA ? ? 1 +5511 C C A LEU B 147 0.1472 0.9288 1.0307 -0.1271 0.0935 0.0185 148 LEU B C ? ? 1 +5512 C C B LEU B 147 0.1486 0.9302 1.0321 -0.1271 0.0936 0.0185 148 LEU B C ? ? 1 +5513 O O A LEU B 147 0.1400 0.9366 1.0374 -0.1259 0.0909 0.0147 148 LEU B O ? ? 1 +5514 O O B LEU B 147 0.1413 0.9379 1.0386 -0.1259 0.0909 0.0147 148 LEU B O ? ? 1 +5515 C CB A LEU B 147 0.1665 0.9341 1.0382 -0.1329 0.1097 0.0228 148 LEU B CB ? ? 1 +5516 C CB B LEU B 147 0.1712 0.9386 1.0426 -0.1329 0.1097 0.0229 148 LEU B CB ? ? 1 +5517 C CG A LEU B 147 0.1794 0.9419 1.0502 -0.1400 0.1198 0.0237 148 LEU B CG ? ? 1 +5518 C CG B LEU B 147 0.1781 0.9549 1.0599 -0.1367 0.1184 0.0210 148 LEU B CG ? ? 1 +5519 C CD1 A LEU B 147 0.1867 0.9417 1.0462 -0.1372 0.1261 0.0271 148 LEU B CD1 ? ? 1 +5520 C CD1 B LEU B 147 0.1840 0.9556 1.0558 -0.1326 0.1236 0.0239 148 LEU B CD1 ? ? 1 +5521 C CD2 A LEU B 147 0.1787 0.9571 1.0687 -0.1456 0.1238 0.0191 148 LEU B CD2 ? ? 1 +5522 C CD2 B LEU B 147 0.1691 0.9660 1.0707 -0.1365 0.1157 0.0158 148 LEU B CD2 ? ? 1 +5523 N N . LEU B 148 0.1454 0.9158 1.0149 -0.1222 0.0890 0.0217 149 LEU B N ? ? 1 +5524 C CA . LEU B 148 0.1348 0.9097 1.0040 -0.1151 0.0812 0.0212 149 LEU B CA ? ? 1 +5525 C CB . LEU B 148 0.1381 0.8986 0.9900 -0.1106 0.0785 0.0254 149 LEU B CB ? ? 1 +5526 C CG . LEU B 148 0.1340 0.8974 0.9830 -0.1032 0.0743 0.0258 149 LEU B CG ? ? 1 +5527 C CD1 . LEU B 148 0.1376 0.9066 0.9894 -0.1016 0.0800 0.0256 149 LEU B CD1 ? ? 1 +5528 C CD2 . LEU B 148 0.1361 0.8855 0.9687 -0.0992 0.0713 0.0297 149 LEU B CD2 ? ? 1 +5529 C C . LEU B 148 0.1240 0.9069 1.0030 -0.1158 0.0739 0.0178 149 LEU B C ? ? 1 +5530 O O . LEU B 148 0.1165 0.9112 1.0045 -0.1121 0.0694 0.0150 149 LEU B O ? ? 1 +5531 N N . CYS B 149 0.1233 0.8992 0.9999 -0.1203 0.0729 0.0180 150 CYS B N ? ? 1 +5532 C CA . CYS B 149 0.1150 0.8969 0.9999 -0.1218 0.0664 0.0148 150 CYS B CA ? ? 1 +5533 C CB . CYS B 149 0.1207 0.8911 0.9994 -0.1271 0.0670 0.0160 150 CYS B CB ? ? 1 +5534 S SG . CYS B 149 0.1154 0.8903 1.0016 -0.1290 0.0590 0.0124 150 CYS B SG ? ? 1 +5535 C C . CYS B 149 0.1095 0.9084 1.0126 -0.1245 0.0671 0.0100 150 CYS B C ? ? 1 +5536 O O . CYS B 149 0.1008 0.9099 1.0118 -0.1211 0.0608 0.0071 150 CYS B O ? ? 1 +5537 N N . PHE B 150 0.1144 0.9161 1.0238 -0.1305 0.0749 0.0091 151 PHE B N ? ? 1 +5538 C CA . PHE B 150 0.1112 0.9296 1.0386 -0.1334 0.0766 0.0044 151 PHE B CA ? ? 1 +5539 C CB . PHE B 150 0.1199 0.9380 1.0508 -0.1401 0.0868 0.0046 151 PHE B CB ? ? 1 +5540 C CG . PHE B 150 0.1183 0.9543 1.0680 -0.1429 0.0897 -0.0001 151 PHE B CG ? ? 1 +5541 C CD1 . PHE B 150 0.1166 0.9625 1.0803 -0.1480 0.0870 -0.0047 151 PHE B CD1 ? ? 1 +5542 C CD2 . PHE B 150 0.1183 0.9617 1.0722 -0.1404 0.0948 -0.0003 151 PHE B CD2 ? ? 1 +5543 C CE1 . PHE B 150 0.1152 0.9784 1.0970 -0.1505 0.0894 -0.0093 151 PHE B CE1 ? ? 1 +5544 C CE2 . PHE B 150 0.1166 0.9773 1.0886 -0.1429 0.0976 -0.0048 151 PHE B CE2 ? ? 1 +5545 C CZ . PHE B 150 0.1149 0.9856 1.1010 -0.1478 0.0948 -0.0093 151 PHE B CZ ? ? 1 +5546 C C . PHE B 150 0.1028 0.9335 1.0368 -0.1267 0.0740 0.0028 151 PHE B C ? ? 1 +5547 O O . PHE B 150 0.0960 0.9400 1.0425 -0.1253 0.0688 -0.0012 151 PHE B O ? ? 1 +5548 N N . GLY B 151 0.1033 0.9288 1.0281 -0.1224 0.0774 0.0060 152 GLY B N ? ? 1 +5549 C CA . GLY B 151 0.0971 0.9326 1.0267 -0.1161 0.0762 0.0048 152 GLY B CA ? ? 1 +5550 C C . GLY B 151 0.0873 0.9259 1.0162 -0.1093 0.0666 0.0039 152 GLY B C ? ? 1 +5551 O O . GLY B 151 0.0815 0.9329 1.0204 -0.1055 0.0637 0.0010 152 GLY B O ? ? 1 +5552 N N . PHE B 152 0.0852 0.9117 1.0019 -0.1078 0.0619 0.0066 153 PHE B N ? ? 1 +5553 C CA . PHE B 152 0.0773 0.9049 0.9921 -0.1023 0.0530 0.0060 153 PHE B CA ? ? 1 +5554 C CB . PHE B 152 0.0784 0.8907 0.9784 -0.1017 0.0497 0.0095 153 PHE B CB ? ? 1 +5555 C CG . PHE B 152 0.0717 0.8838 0.9688 -0.0965 0.0409 0.0090 153 PHE B CG ? ? 1 +5556 C CD1 . PHE B 152 0.0670 0.8826 0.9625 -0.0896 0.0377 0.0092 153 PHE B CD1 ? ? 1 +5557 C CD2 . PHE B 152 0.0714 0.8789 0.9663 -0.0985 0.0361 0.0086 153 PHE B CD2 ? ? 1 +5558 C CE1 . PHE B 152 0.0617 0.8761 0.9535 -0.0850 0.0300 0.0090 153 PHE B CE1 ? ? 1 +5559 C CE2 . PHE B 152 0.0657 0.8724 0.9572 -0.0937 0.0284 0.0083 153 PHE B CE2 ? ? 1 +5560 C CZ . PHE B 152 0.0611 0.8713 0.9512 -0.0871 0.0255 0.0086 153 PHE B CZ ? ? 1 +5561 C C . PHE B 152 0.0722 0.9121 1.0011 -0.1041 0.0480 0.0013 153 PHE B C ? ? 1 +5562 O O . PHE B 152 0.0665 0.9159 1.0017 -0.0992 0.0427 -0.0011 153 PHE B O ? ? 1 +5563 N N . GLY B 153 0.0750 0.9140 1.0082 -0.1110 0.0494 0.0000 154 GLY B N ? ? 1 +5564 C CA . GLY B 153 0.0723 0.9229 1.0194 -0.1137 0.0452 -0.0048 154 GLY B CA ? ? 1 +5565 C C . GLY B 153 0.0698 0.9378 1.0334 -0.1137 0.0472 -0.0089 154 GLY B C ? ? 1 +5566 O O . GLY B 153 0.0636 0.9426 1.0361 -0.1103 0.0410 -0.0123 154 GLY B O ? ? 1 +5567 N N . ALA B 154 0.0748 0.9449 1.0421 -0.1173 0.0558 -0.0085 155 ALA B N ? ? 1 +5568 C CA . ALA B 154 0.0748 0.9619 1.0597 -0.1191 0.0587 -0.0129 155 ALA B CA ? ? 1 +5569 C CB . ALA B 154 0.0825 0.9688 1.0704 -0.1260 0.0691 -0.0124 155 ALA B CB ? ? 1 +5570 C C . ALA B 154 0.0699 0.9664 1.0584 -0.1113 0.0569 -0.0137 155 ALA B C ? ? 1 +5571 O O . ALA B 154 0.0667 0.9788 1.0701 -0.1103 0.0551 -0.0181 155 ALA B O ? ? 1 +5572 N N . PHE B 155 0.0696 0.9562 1.0442 -0.1055 0.0569 -0.0097 156 PHE B N ? ? 1 +5573 C CA . PHE B 155 0.0666 0.9599 1.0426 -0.0982 0.0563 -0.0100 156 PHE B CA ? ? 1 +5574 C CB . PHE B 155 0.0715 0.9574 1.0389 -0.0978 0.0646 -0.0065 156 PHE B CB ? ? 1 +5575 C CG . PHE B 155 0.0779 0.9681 1.0533 -0.1049 0.0740 -0.0075 156 PHE B CG ? ? 1 +5576 C CD1 . PHE B 155 0.0773 0.9846 1.0703 -0.1061 0.0765 -0.0120 156 PHE B CD1 ? ? 1 +5577 C CD2 . PHE B 155 0.0851 0.9622 1.0505 -0.1102 0.0803 -0.0041 156 PHE B CD2 ? ? 1 +5578 C CE1 . PHE B 155 0.0834 0.9947 1.0840 -0.1129 0.0855 -0.0130 156 PHE B CE1 ? ? 1 +5579 C CE2 . PHE B 155 0.0921 0.9724 1.0643 -0.1169 0.0892 -0.0049 156 PHE B CE2 ? ? 1 +5580 C CZ . PHE B 155 0.0912 0.9886 1.0811 -0.1184 0.0920 -0.0094 156 PHE B CZ ? ? 1 +5581 C C . PHE B 155 0.0616 0.9512 1.0296 -0.0905 0.0477 -0.0090 156 PHE B C ? ? 1 +5582 O O . PHE B 155 0.0571 0.9572 1.0326 -0.0853 0.0431 -0.0117 156 PHE B O ? ? 1 +5583 N N . HIS B 156 0.0629 0.9373 1.0156 -0.0898 0.0455 -0.0051 157 HIS B N ? ? 1 +5584 C CA . HIS B 156 0.0587 0.9286 1.0029 -0.0828 0.0382 -0.0039 157 HIS B CA ? ? 1 +5585 C CB . HIS B 156 0.0611 0.9137 0.9877 -0.0824 0.0381 0.0009 157 HIS B CB ? ? 1 +5586 C CG . HIS B 156 0.0570 0.9049 0.9750 -0.0756 0.0311 0.0022 157 HIS B CG ? ? 1 +5587 N ND1 . HIS B 156 0.0583 0.8975 0.9643 -0.0712 0.0321 0.0055 157 HIS B ND1 ? ? 1 +5588 C CE1 . HIS B 156 0.0545 0.8914 0.9556 -0.0661 0.0250 0.0057 157 HIS B CE1 ? ? 1 +5589 N NE2 . HIS B 156 0.0518 0.8954 0.9608 -0.0669 0.0197 0.0027 157 HIS B NE2 ? ? 1 +5590 C CD2 . HIS B 156 0.0531 0.9040 0.9732 -0.0729 0.0233 0.0003 157 HIS B CD2 ? ? 1 +5591 C C . HIS B 156 0.0545 0.9311 1.0057 -0.0821 0.0300 -0.0072 157 HIS B C ? ? 1 +5592 O O . HIS B 156 0.0499 0.9336 1.0048 -0.0762 0.0247 -0.0091 157 HIS B O ? ? 1 +5593 N N . LEU B 157 0.0570 0.9304 1.0091 -0.0878 0.0288 -0.0078 158 LEU B N ? ? 1 +5594 C CA . LEU B 157 0.0554 0.9321 1.0111 -0.0872 0.0208 -0.0104 158 LEU B CA ? ? 1 +5595 C CB . LEU B 157 0.0583 0.9257 1.0092 -0.0932 0.0205 -0.0095 158 LEU B CB ? ? 1 +5596 C CG . LEU B 157 0.0600 0.9106 0.9939 -0.0926 0.0216 -0.0046 158 LEU B CG ? ? 1 +5597 C CD1 . LEU B 157 0.0634 0.9058 0.9937 -0.0983 0.0210 -0.0042 158 LEU B CD1 ? ? 1 +5598 C CD2 . LEU B 157 0.0557 0.9018 0.9804 -0.0852 0.0156 -0.0029 158 LEU B CD2 ? ? 1 +5599 C C . LEU B 157 0.0556 0.9496 1.0288 -0.0876 0.0184 -0.0158 158 LEU B C ? ? 1 +5600 O O . LEU B 157 0.0526 0.9518 1.0287 -0.0834 0.0109 -0.0181 158 LEU B O ? ? 1 +5601 N N . THR B 158 0.0602 0.9629 1.0448 -0.0925 0.0248 -0.0179 159 THR B N ? ? 1 +5602 C CA . THR B 158 0.0607 0.9812 1.0632 -0.0928 0.0230 -0.0233 159 THR B CA ? ? 1 +5603 C CB . THR B 158 0.0634 0.9915 1.0779 -0.1004 0.0310 -0.0253 159 THR B CB ? ? 1 +5604 O OG1 . THR B 158 0.0656 0.9907 1.0760 -0.0997 0.0390 -0.0225 159 THR B OG1 ? ? 1 +5605 C CG2 . THR B 158 0.0671 0.9873 1.0795 -0.1088 0.0333 -0.0248 159 THR B CG2 ? ? 1 +5606 C C . THR B 158 0.0609 0.9903 1.0671 -0.0847 0.0208 -0.0244 159 THR B C ? ? 1 +5607 O O . THR B 158 0.0601 1.0035 1.0792 -0.0827 0.0166 -0.0288 159 THR B O ? ? 1 +5608 N N . GLY B 159 0.0646 0.9862 1.0600 -0.0802 0.0239 -0.0206 160 GLY B N ? ? 1 +5609 C CA . GLY B 159 0.0659 0.9954 1.0647 -0.0730 0.0233 -0.0215 160 GLY B CA ? ? 1 +5610 C C . GLY B 159 0.0720 1.0133 1.0831 -0.0747 0.0308 -0.0236 160 GLY B C ? ? 1 +5611 O O . GLY B 159 0.0714 1.0192 1.0854 -0.0688 0.0311 -0.0244 160 GLY B O ? ? 1 +5612 N N . LEU B 160 0.0800 1.0238 1.0982 -0.0829 0.0371 -0.0245 161 LEU B N ? ? 1 +5613 C CA . LEU B 160 0.0882 1.0406 1.1158 -0.0853 0.0456 -0.0257 161 LEU B CA ? ? 1 +5614 C CB . LEU B 160 0.0962 1.0452 1.1261 -0.0951 0.0530 -0.0253 161 LEU B CB ? ? 1 +5615 C CG . LEU B 160 0.0998 1.0636 1.1484 -0.1014 0.0545 -0.0304 161 LEU B CG ? ? 1 +5616 C CD1 . LEU B 160 0.0982 1.0655 1.1519 -0.1027 0.0454 -0.0335 161 LEU B CD1 ? ? 1 +5617 C CD2 . LEU B 160 0.1074 1.0658 1.1557 -0.1104 0.0642 -0.0289 161 LEU B CD2 ? ? 1 +5618 C C . LEU B 160 0.0919 1.0371 1.1087 -0.0803 0.0503 -0.0221 161 LEU B C ? ? 1 +5619 O O . LEU B 160 0.0938 1.0487 1.1183 -0.0774 0.0539 -0.0237 161 LEU B O ? ? 1 +5620 N N . PHE B 161 0.0947 1.0228 1.0940 -0.0798 0.0507 -0.0172 162 PHE B N ? ? 1 +5621 C CA . PHE B 161 0.0991 1.0188 1.0864 -0.0750 0.0542 -0.0136 162 PHE B CA ? ? 1 +5622 C CB . PHE B 161 0.1125 1.0298 1.0991 -0.0798 0.0649 -0.0120 162 PHE B CB ? ? 1 +5623 C CG . PHE B 161 0.1245 1.0338 1.0992 -0.0747 0.0687 -0.0087 162 PHE B CG ? ? 1 +5624 C CD1 . PHE B 161 0.1269 1.0424 1.1034 -0.0669 0.0661 -0.0099 162 PHE B CD1 ? ? 1 +5625 C CD2 . PHE B 161 0.1350 1.0302 1.0964 -0.0776 0.0747 -0.0044 162 PHE B CD2 ? ? 1 +5626 C CE1 . PHE B 161 0.1325 1.0402 1.0977 -0.0623 0.0695 -0.0070 162 PHE B CE1 ? ? 1 +5627 C CE2 . PHE B 161 0.1406 1.0285 1.0909 -0.0730 0.0780 -0.0016 162 PHE B CE2 ? ? 1 +5628 C CZ . PHE B 161 0.1393 1.0334 1.0915 -0.0655 0.0753 -0.0029 162 PHE B CZ ? ? 1 +5629 C C . PHE B 161 0.0936 0.9968 1.0631 -0.0726 0.0495 -0.0094 162 PHE B C ? ? 1 +5630 O O . PHE B 161 0.0930 0.9835 1.0517 -0.0764 0.0529 -0.0059 162 PHE B O ? ? 1 +5631 N N . GLY B 162 0.0861 0.9904 1.0535 -0.0661 0.0415 -0.0101 163 GLY B N ? ? 1 +5632 C CA . GLY B 162 0.0825 0.9739 1.0358 -0.0635 0.0358 -0.0071 163 GLY B CA ? ? 1 +5633 C C . GLY B 162 0.0765 0.9737 1.0341 -0.0594 0.0266 -0.0097 163 GLY B C ? ? 1 +5634 O O . GLY B 162 0.0755 0.9867 1.0473 -0.0592 0.0244 -0.0140 163 GLY B O ? ? 1 +5635 N N . PRO B 163 0.0730 0.9596 1.0183 -0.0561 0.0209 -0.0074 164 PRO B N ? ? 1 +5636 C CA . PRO B 163 0.0690 0.9592 1.0156 -0.0509 0.0123 -0.0093 164 PRO B CA ? ? 1 +5637 C CB . PRO B 163 0.0690 0.9453 0.9991 -0.0465 0.0100 -0.0053 164 PRO B CB ? ? 1 +5638 C CG . PRO B 163 0.0711 0.9353 0.9918 -0.0519 0.0148 -0.0017 164 PRO B CG ? ? 1 +5639 C CD . PRO B 163 0.0743 0.9447 1.0036 -0.0569 0.0226 -0.0027 164 PRO B CD ? ? 1 +5640 C C . PRO B 163 0.0677 0.9601 1.0189 -0.0543 0.0068 -0.0115 164 PRO B C ? ? 1 +5641 O O . PRO B 163 0.0658 0.9628 1.0196 -0.0501 -0.0002 -0.0136 164 PRO B O ? ? 1 +5642 N N . GLY B 164 0.0703 0.9585 1.0214 -0.0615 0.0098 -0.0108 165 GLY B N ? ? 1 +5643 C CA . GLY B 164 0.0714 0.9590 1.0244 -0.0649 0.0048 -0.0124 165 GLY B CA ? ? 1 +5644 C C . GLY B 164 0.0739 0.9463 1.0114 -0.0640 0.0016 -0.0088 165 GLY B C ? ? 1 +5645 O O . GLY B 164 0.0763 0.9379 1.0027 -0.0640 0.0054 -0.0049 165 GLY B O ? ? 1 +5646 N N . MET B 165 0.0751 0.9469 1.0119 -0.0634 -0.0054 -0.0102 166 MET B N ? ? 1 +5647 C CA . MET B 165 0.0781 0.9365 1.0011 -0.0623 -0.0088 -0.0072 166 MET B CA ? ? 1 +5648 C CB . MET B 165 0.0880 0.9391 1.0082 -0.0692 -0.0067 -0.0062 166 MET B CB ? ? 1 +5649 C CG . MET B 165 0.0954 0.9538 1.0256 -0.0732 -0.0102 -0.0103 166 MET B CG ? ? 1 +5650 S SD . MET B 165 0.1107 0.9590 1.0366 -0.0814 -0.0071 -0.0089 166 MET B SD ? ? 1 +5651 C CE . MET B 165 0.1097 0.9561 1.0334 -0.0803 -0.0158 -0.0109 166 MET B CE ? ? 1 +5652 C C . MET B 165 0.0717 0.9320 0.9941 -0.0577 -0.0172 -0.0091 166 MET B C ? ? 1 +5653 O O . MET B 165 0.0677 0.9397 1.0010 -0.0564 -0.0206 -0.0130 166 MET B O ? ? 1 +5654 N N . TRP B 166 0.0676 0.9162 0.9770 -0.0553 -0.0203 -0.0064 167 TRP B N ? ? 1 +5655 C CA . TRP B 166 0.0641 0.9119 0.9701 -0.0510 -0.0279 -0.0075 167 TRP B CA ? ? 1 +5656 C CB . TRP B 166 0.0637 0.8972 0.9541 -0.0488 -0.0294 -0.0036 167 TRP B CB ? ? 1 +5657 C CG . TRP B 166 0.0635 0.8954 0.9492 -0.0437 -0.0365 -0.0044 167 TRP B CG ? ? 1 +5658 C CD1 . TRP B 166 0.0641 0.8952 0.9496 -0.0448 -0.0416 -0.0062 167 TRP B CD1 ? ? 1 +5659 N NE1 . TRP B 166 0.0645 0.8938 0.9445 -0.0389 -0.0472 -0.0065 167 TRP B NE1 ? ? 1 +5660 C CE2 . TRP B 166 0.0635 0.8926 0.9406 -0.0339 -0.0459 -0.0050 167 TRP B CE2 ? ? 1 +5661 C CZ2 . TRP B 166 0.0644 0.8916 0.9357 -0.0273 -0.0499 -0.0046 167 TRP B CZ2 ? ? 1 +5662 C CH2 . TRP B 166 0.0648 0.8916 0.9338 -0.0235 -0.0472 -0.0031 167 TRP B CH2 ? ? 1 +5663 C CZ3 . TRP B 166 0.0639 0.8928 0.9366 -0.0261 -0.0408 -0.0019 167 TRP B CZ3 ? ? 1 +5664 C CE3 . TRP B 166 0.0637 0.8946 0.9420 -0.0326 -0.0367 -0.0022 167 TRP B CE3 ? ? 1 +5665 C CD2 . TRP B 166 0.0633 0.8942 0.9440 -0.0368 -0.0393 -0.0037 167 TRP B CD2 ? ? 1 +5666 C C . TRP B 166 0.0626 0.9152 0.9757 -0.0547 -0.0318 -0.0109 167 TRP B C ? ? 1 +5667 O O . TRP B 166 0.0655 0.9144 0.9787 -0.0608 -0.0295 -0.0106 167 TRP B O ? ? 1 +5668 N N . VAL B 167 0.0588 0.9198 0.9778 -0.0511 -0.0380 -0.0143 168 VAL B N ? ? 1 +5669 C CA . VAL B 167 0.0580 0.9236 0.9832 -0.0539 -0.0427 -0.0179 168 VAL B CA ? ? 1 +5670 C CB . VAL B 167 0.0581 0.9383 1.0004 -0.0582 -0.0413 -0.0223 168 VAL B CB ? ? 1 +5671 C CG1 . VAL B 167 0.0577 0.9406 1.0052 -0.0619 -0.0330 -0.0212 168 VAL B CG1 ? ? 1 +5672 C CG2 . VAL B 167 0.0578 0.9506 1.0093 -0.0529 -0.0468 -0.0263 168 VAL B CG2 ? ? 1 +5673 C C . VAL B 167 0.0570 0.9227 0.9781 -0.0473 -0.0505 -0.0191 168 VAL B C ? ? 1 +5674 O O . VAL B 167 0.0572 0.9222 0.9740 -0.0412 -0.0515 -0.0178 168 VAL B O ? ? 1 +5675 N N . SER B 168 0.0572 0.9232 0.9791 -0.0486 -0.0559 -0.0216 169 SER B N ? ? 1 +5676 C CA . SER B 168 0.0582 0.9224 0.9743 -0.0426 -0.0632 -0.0224 169 SER B CA ? ? 1 +5677 C CB . SER B 168 0.0577 0.9066 0.9572 -0.0405 -0.0633 -0.0180 169 SER B CB ? ? 1 +5678 O OG . SER B 168 0.0590 0.9051 0.9516 -0.0342 -0.0696 -0.0184 169 SER B OG ? ? 1 +5679 C C . SER B 168 0.0610 0.9301 0.9825 -0.0444 -0.0692 -0.0266 169 SER B C ? ? 1 +5680 O O . SER B 168 0.0610 0.9317 0.9881 -0.0510 -0.0675 -0.0281 169 SER B O ? ? 1 +5681 N N . ASP B 169 0.0652 0.9359 0.9842 -0.0386 -0.0763 -0.0283 170 ASP B N ? ? 1 +5682 C CA . ASP B 169 0.0708 0.9434 0.9915 -0.0395 -0.0828 -0.0318 170 ASP B CA ? ? 1 +5683 C CB . ASP B 169 0.0749 0.9502 0.9931 -0.0316 -0.0902 -0.0336 170 ASP B CB ? ? 1 +5684 C CG . ASP B 169 0.0789 0.9405 0.9803 -0.0266 -0.0914 -0.0296 170 ASP B CG ? ? 1 +5685 O OD1 . ASP B 169 0.0771 0.9349 0.9737 -0.0236 -0.0876 -0.0263 170 ASP B OD1 ? ? 1 +5686 O OD2 . ASP B 169 0.0849 0.9390 0.9778 -0.0260 -0.0958 -0.0297 170 ASP B OD2 ? ? 1 +5687 C C . ASP B 169 0.0743 0.9332 0.9832 -0.0427 -0.0826 -0.0295 170 ASP B C ? ? 1 +5688 O O . ASP B 169 0.0741 0.9219 0.9722 -0.0424 -0.0787 -0.0250 170 ASP B O ? ? 1 +5689 N N . PRO B 170 0.0784 0.9376 0.9886 -0.0454 -0.0871 -0.0324 171 PRO B N ? ? 1 +5690 C CA . PRO B 170 0.0809 0.9276 0.9807 -0.0489 -0.0866 -0.0305 171 PRO B CA ? ? 1 +5691 C CB . PRO B 170 0.0854 0.9370 0.9910 -0.0515 -0.0922 -0.0353 171 PRO B CB ? ? 1 +5692 C CG . PRO B 170 0.0843 0.9522 1.0061 -0.0518 -0.0936 -0.0397 171 PRO B CG ? ? 1 +5693 C CD . PRO B 170 0.0814 0.9529 1.0032 -0.0455 -0.0928 -0.0380 171 PRO B CD ? ? 1 +5694 C C . PRO B 170 0.0824 0.9162 0.9661 -0.0439 -0.0886 -0.0271 171 PRO B C ? ? 1 +5695 O O . PRO B 170 0.0840 0.9076 0.9591 -0.0465 -0.0880 -0.0254 171 PRO B O ? ? 1 +5696 N N . TYR B 171 0.0826 0.9169 0.9622 -0.0369 -0.0910 -0.0262 172 TYR B N ? ? 1 +5697 C CA . TYR B 171 0.0835 0.9060 0.9481 -0.0321 -0.0929 -0.0231 172 TYR B CA ? ? 1 +5698 C CB . TYR B 171 0.0880 0.9121 0.9497 -0.0265 -0.1009 -0.0258 172 TYR B CB ? ? 1 +5699 C CG . TYR B 171 0.0916 0.9173 0.9561 -0.0299 -0.1052 -0.0295 172 TYR B CG ? ? 1 +5700 C CD1 . TYR B 171 0.0936 0.9082 0.9481 -0.0324 -0.1053 -0.0281 172 TYR B CD1 ? ? 1 +5701 C CD2 . TYR B 171 0.0917 0.9305 0.9696 -0.0311 -0.1089 -0.0344 172 TYR B CD2 ? ? 1 +5702 C CE1 . TYR B 171 0.0982 0.9137 0.9550 -0.0357 -0.1091 -0.0316 172 TYR B CE1 ? ? 1 +5703 C CE2 . TYR B 171 0.0952 0.9354 0.9758 -0.0347 -0.1129 -0.0380 172 TYR B CE2 ? ? 1 +5704 C CZ . TYR B 171 0.0994 0.9277 0.9692 -0.0370 -0.1129 -0.0365 172 TYR B CZ ? ? 1 +5705 O OH . TYR B 171 0.1052 0.9342 0.9771 -0.0406 -0.1168 -0.0401 172 TYR B OH ? ? 1 +5706 C C . TYR B 171 0.0813 0.8998 0.9406 -0.0287 -0.0886 -0.0191 172 TYR B C ? ? 1 +5707 O O . TYR B 171 0.0844 0.8945 0.9322 -0.0240 -0.0901 -0.0168 172 TYR B O ? ? 1 +5708 N N . GLY B 172 0.0771 0.9010 0.9441 -0.0313 -0.0831 -0.0184 173 GLY B N ? ? 1 +5709 C CA . GLY B 172 0.0732 0.8929 0.9352 -0.0289 -0.0784 -0.0146 173 GLY B CA ? ? 1 +5710 C C . GLY B 172 0.0740 0.8945 0.9323 -0.0214 -0.0816 -0.0144 173 GLY B C ? ? 1 +5711 O O . GLY B 172 0.0733 0.8848 0.9212 -0.0184 -0.0801 -0.0110 173 GLY B O ? ? 1 +5712 N N . LEU B 173 0.0754 0.9066 0.9424 -0.0183 -0.0860 -0.0181 174 LEU B N ? ? 1 +5713 C CA . LEU B 173 0.0778 0.9104 0.9419 -0.0107 -0.0896 -0.0184 174 LEU B CA ? ? 1 +5714 C CB . LEU B 173 0.0833 0.9213 0.9501 -0.0076 -0.0975 -0.0224 174 LEU B CB ? ? 1 +5715 C CG . LEU B 173 0.0883 0.9160 0.9438 -0.0076 -0.1015 -0.0219 174 LEU B CG ? ? 1 +5716 C CD1 . LEU B 173 0.0944 0.9272 0.9517 -0.0036 -0.1094 -0.0258 174 LEU B CD1 ? ? 1 +5717 C CD2 . LEU B 173 0.0900 0.9035 0.9296 -0.0044 -0.1000 -0.0175 174 LEU B CD2 ? ? 1 +5718 C C . LEU B 173 0.0738 0.9154 0.9466 -0.0085 -0.0866 -0.0188 174 LEU B C ? ? 1 +5719 O O . LEU B 173 0.0764 0.9146 0.9431 -0.0030 -0.0865 -0.0169 174 LEU B O ? ? 1 +5720 N N . THR B 174 0.0677 0.9204 0.9542 -0.0129 -0.0837 -0.0211 175 THR B N ? ? 1 +5721 C CA . THR B 174 0.0640 0.9274 0.9606 -0.0107 -0.0815 -0.0224 175 THR B CA ? ? 1 +5722 C CB . THR B 174 0.0646 0.9421 0.9743 -0.0095 -0.0867 -0.0277 175 THR B CB ? ? 1 +5723 O OG1 . THR B 174 0.0627 0.9439 0.9797 -0.0168 -0.0862 -0.0299 175 THR B OG1 ? ? 1 +5724 C CG2 . THR B 174 0.0698 0.9450 0.9730 -0.0031 -0.0947 -0.0291 175 THR B CG2 ? ? 1 +5725 C C . THR B 174 0.0578 0.9236 0.9606 -0.0163 -0.0735 -0.0211 175 THR B C ? ? 1 +5726 O O . THR B 174 0.0549 0.9327 0.9707 -0.0176 -0.0715 -0.0236 175 THR B O ? ? 1 +5727 N N . GLY B 175 0.0543 0.9086 0.9474 -0.0194 -0.0690 -0.0171 176 GLY B N ? ? 1 +5728 C CA . GLY B 175 0.0508 0.9054 0.9477 -0.0249 -0.0616 -0.0154 176 GLY B CA ? ? 1 +5729 C C . GLY B 175 0.0487 0.9083 0.9496 -0.0222 -0.0573 -0.0148 176 GLY B C ? ? 1 +5730 O O . GLY B 175 0.0504 0.9083 0.9463 -0.0158 -0.0590 -0.0139 176 GLY B O ? ? 1 +5731 N N . SER B 176 0.0455 0.9111 0.9552 -0.0270 -0.0514 -0.0152 177 SER B N ? ? 1 +5732 C CA . SER B 176 0.0431 0.9129 0.9563 -0.0253 -0.0463 -0.0144 177 SER B CA ? ? 1 +5733 C CB . SER B 176 0.0440 0.9272 0.9683 -0.0205 -0.0492 -0.0182 177 SER B CB ? ? 1 +5734 O OG . SER B 176 0.0436 0.9388 0.9818 -0.0244 -0.0506 -0.0224 177 SER B OG ? ? 1 +5735 C C . SER B 176 0.0406 0.9124 0.9598 -0.0324 -0.0392 -0.0139 177 SER B C ? ? 1 +5736 O O . SER B 176 0.0401 0.9116 0.9622 -0.0382 -0.0389 -0.0148 177 SER B O ? ? 1 +5737 N N . VAL B 177 0.0394 0.9124 0.9596 -0.0317 -0.0335 -0.0125 178 VAL B N ? ? 1 +5738 C CA . VAL B 177 0.0392 0.9158 0.9662 -0.0378 -0.0264 -0.0125 178 VAL B CA ? ? 1 +5739 C CB . VAL B 177 0.0397 0.9098 0.9594 -0.0365 -0.0204 -0.0089 178 VAL B CB ? ? 1 +5740 C CG1 . VAL B 177 0.0407 0.9148 0.9675 -0.0423 -0.0127 -0.0090 178 VAL B CG1 ? ? 1 +5741 C CG2 . VAL B 177 0.0398 0.8941 0.9434 -0.0361 -0.0208 -0.0046 178 VAL B CG2 ? ? 1 +5742 C C . VAL B 177 0.0394 0.9325 0.9835 -0.0386 -0.0263 -0.0171 178 VAL B C ? ? 1 +5743 O O . VAL B 177 0.0384 0.9393 0.9873 -0.0330 -0.0280 -0.0189 178 VAL B O ? ? 1 +5744 N N . GLN B 178 0.0403 0.9380 0.9928 -0.0455 -0.0245 -0.0191 179 GLN B N ? ? 1 +5745 C CA . GLN B 178 0.0413 0.9548 1.0110 -0.0479 -0.0238 -0.0237 179 GLN B CA ? ? 1 +5746 C CB . GLN B 178 0.0430 0.9625 1.0192 -0.0490 -0.0310 -0.0276 179 GLN B CB ? ? 1 +5747 C CG . GLN B 178 0.0442 0.9641 1.0166 -0.0415 -0.0396 -0.0288 179 GLN B CG ? ? 1 +5748 C CD . GLN B 178 0.0456 0.9779 1.0269 -0.0351 -0.0415 -0.0315 179 GLN B CD ? ? 1 +5749 O OE1 . GLN B 178 0.0471 0.9950 1.0449 -0.0365 -0.0406 -0.0359 179 GLN B OE1 ? ? 1 +5750 N NE2 . GLN B 178 0.0462 0.9719 1.0170 -0.0276 -0.0444 -0.0294 179 GLN B NE2 ? ? 1 +5751 C C . GLN B 178 0.0416 0.9560 1.0168 -0.0560 -0.0161 -0.0234 179 GLN B C ? ? 1 +5752 O O . GLN B 178 0.0417 0.9453 1.0089 -0.0608 -0.0137 -0.0207 179 GLN B O ? ? 1 +5753 N N . PRO B 179 0.0417 0.9696 1.0314 -0.0580 -0.0121 -0.0265 180 PRO B N ? ? 1 +5754 C CA . PRO B 179 0.0432 0.9737 1.0404 -0.0665 -0.0055 -0.0272 180 PRO B CA ? ? 1 +5755 C CB . PRO B 179 0.0436 0.9901 1.0564 -0.0660 -0.0020 -0.0307 180 PRO B CB ? ? 1 +5756 C CG . PRO B 179 0.0415 0.9969 1.0587 -0.0579 -0.0097 -0.0335 180 PRO B CG ? ? 1 +5757 C CD . PRO B 179 0.0408 0.9822 1.0408 -0.0522 -0.0139 -0.0296 180 PRO B CD ? ? 1 +5758 C C . PRO B 179 0.0433 0.9743 1.0444 -0.0720 -0.0095 -0.0296 180 PRO B C ? ? 1 +5759 O O . PRO B 179 0.0414 0.9778 1.0462 -0.0691 -0.0171 -0.0325 180 PRO B O ? ? 1 +5760 N N . VAL B 180 0.0461 0.9704 1.0452 -0.0796 -0.0045 -0.0282 181 VAL B N ? ? 1 +5761 C CA . VAL B 180 0.0485 0.9710 1.0495 -0.0851 -0.0077 -0.0301 181 VAL B CA ? ? 1 +5762 C CB . VAL B 180 0.0489 0.9540 1.0332 -0.0857 -0.0095 -0.0260 181 VAL B CB ? ? 1 +5763 C CG1 . VAL B 180 0.0513 0.9546 1.0380 -0.0919 -0.0120 -0.0282 181 VAL B CG1 ? ? 1 +5764 C CG2 . VAL B 180 0.0459 0.9454 1.0195 -0.0775 -0.0159 -0.0243 181 VAL B CG2 ? ? 1 +5765 C C . VAL B 180 0.0537 0.9816 1.0654 -0.0938 -0.0010 -0.0319 181 VAL B C ? ? 1 +5766 O O . VAL B 180 0.0557 0.9770 1.0628 -0.0971 0.0068 -0.0288 181 VAL B O ? ? 1 +5767 N N . ALA B 181 0.0566 0.9965 1.0824 -0.0973 -0.0040 -0.0371 182 ALA B N ? ? 1 +5768 C CA . ALA B 181 0.0622 1.0083 1.0996 -0.1060 0.0019 -0.0395 182 ALA B CA ? ? 1 +5769 C CB . ALA B 181 0.0614 1.0263 1.1179 -0.1070 -0.0019 -0.0460 182 ALA B CB ? ? 1 +5770 C C . ALA B 181 0.0686 1.0021 1.0982 -0.1127 0.0026 -0.0380 182 ALA B C ? ? 1 +5771 O O . ALA B 181 0.0684 0.9951 1.0905 -0.1110 -0.0041 -0.0378 182 ALA B O ? ? 1 +5772 N N . PRO B 182 0.0772 1.0069 1.1082 -0.1204 0.0108 -0.0370 183 PRO B N ? ? 1 +5773 C CA . PRO B 182 0.0839 1.0009 1.1072 -0.1267 0.0118 -0.0355 183 PRO B CA ? ? 1 +5774 C CB . PRO B 182 0.0904 1.0055 1.1166 -0.1342 0.0222 -0.0344 183 PRO B CB ? ? 1 +5775 C CG . PRO B 182 0.0876 1.0135 1.1217 -0.1312 0.0270 -0.0347 183 PRO B CG ? ? 1 +5776 C CD . PRO B 182 0.0806 1.0183 1.1210 -0.1234 0.0194 -0.0375 183 PRO B CD ? ? 1 +5777 C C . PRO B 182 0.0875 1.0107 1.1195 -0.1304 0.0055 -0.0405 183 PRO B C ? ? 1 +5778 O O . PRO B 182 0.0865 1.0257 1.1348 -0.1317 0.0038 -0.0456 183 PRO B O ? ? 1 +5779 N N . GLU B 183 0.0916 1.0020 1.1129 -0.1323 0.0024 -0.0390 184 GLU B N ? ? 1 +5780 C CA . GLU B 183 0.0968 1.0101 1.1245 -0.1372 -0.0024 -0.0433 184 GLU B CA ? ? 1 +5781 C CB . GLU B 183 0.0959 1.0010 1.1124 -0.1321 -0.0111 -0.0425 184 GLU B CB ? ? 1 +5782 C CG . GLU B 183 0.0999 1.0049 1.1196 -0.1367 -0.0164 -0.0464 184 GLU B CG ? ? 1 +5783 C CD . GLU B 183 0.1005 1.0233 1.1389 -0.1395 -0.0196 -0.0530 184 GLU B CD ? ? 1 +5784 O OE1 . GLU B 183 0.0952 1.0304 1.1412 -0.1335 -0.0234 -0.0551 184 GLU B OE1 ? ? 1 +5785 O OE2 . GLU B 183 0.1063 1.0305 1.1517 -0.1473 -0.0186 -0.0562 184 GLU B OE2 ? ? 1 +5786 C C . GLU B 183 0.1062 1.0110 1.1326 -0.1466 0.0044 -0.0425 184 GLU B C ? ? 1 +5787 O O . GLU B 183 0.1096 0.9981 1.1214 -0.1475 0.0070 -0.0381 184 GLU B O ? ? 1 +5788 N N . TRP B 184 0.1122 1.0282 1.1541 -0.1536 0.0072 -0.0470 185 TRP B N ? ? 1 +5789 C CA . TRP B 184 0.1226 1.0319 1.1651 -0.1631 0.0145 -0.0467 185 TRP B CA ? ? 1 +5790 C CB . TRP B 184 0.1251 1.0481 1.1839 -0.1683 0.0215 -0.0496 185 TRP B CB ? ? 1 +5791 C CG . TRP B 184 0.1234 1.0475 1.1797 -0.1639 0.0275 -0.0460 185 TRP B CG ? ? 1 +5792 C CD1 . TRP B 184 0.1187 1.0583 1.1863 -0.1595 0.0274 -0.0482 185 TRP B CD1 ? ? 1 +5793 N NE1 . TRP B 184 0.1185 1.0532 1.1788 -0.1563 0.0339 -0.0437 185 TRP B NE1 ? ? 1 +5794 C CE2 . TRP B 184 0.1243 1.0402 1.1682 -0.1586 0.0381 -0.0386 185 TRP B CE2 ? ? 1 +5795 C CZ2 . TRP B 184 0.1268 1.0312 1.1580 -0.1566 0.0446 -0.0330 185 TRP B CZ2 ? ? 1 +5796 C CH2 . TRP B 184 0.1321 1.0181 1.1477 -0.1592 0.0471 -0.0287 185 TRP B CH2 ? ? 1 +5797 C CZ3 . TRP B 184 0.1355 1.0143 1.1484 -0.1639 0.0436 -0.0299 185 TRP B CZ3 ? ? 1 +5798 C CE3 . TRP B 184 0.1333 1.0230 1.1584 -0.1659 0.0373 -0.0353 185 TRP B CE3 ? ? 1 +5799 C CD2 . TRP B 184 0.1275 1.0364 1.1686 -0.1633 0.0343 -0.0398 185 TRP B CD2 ? ? 1 +5800 C C . TRP B 184 0.1291 1.0340 1.1717 -0.1684 0.0099 -0.0496 185 TRP B C ? ? 1 +5801 O O . TRP B 184 0.1372 1.0334 1.1774 -0.1761 0.0151 -0.0490 185 TRP B O ? ? 1 +5802 N N . GLY B 185 0.1282 1.0380 1.1723 -0.1641 0.0002 -0.0526 186 GLY B N ? ? 1 +5803 C CA . GLY B 185 0.1350 1.0404 1.1781 -0.1682 -0.0050 -0.0555 186 GLY B CA ? ? 1 +5804 C C . GLY B 185 0.1417 1.0278 1.1654 -0.1657 -0.0071 -0.0510 186 GLY B C ? ? 1 +5805 O O . GLY B 185 0.1388 1.0144 1.1496 -0.1614 -0.0040 -0.0455 186 GLY B O ? ? 1 +5806 N N . PRO B 186 0.1476 1.0287 1.1688 -0.1685 -0.0125 -0.0536 187 PRO B N ? ? 1 +5807 C CA . PRO B 186 0.1501 1.0132 1.1538 -0.1669 -0.0143 -0.0498 187 PRO B CA ? ? 1 +5808 C CB . PRO B 186 0.1567 1.0191 1.1640 -0.1724 -0.0190 -0.0546 187 PRO B CB ? ? 1 +5809 C CG . PRO B 186 0.1543 1.0360 1.1797 -0.1735 -0.0231 -0.0608 187 PRO B CG ? ? 1 +5810 C CD . PRO B 186 0.1505 1.0434 1.1862 -0.1735 -0.0169 -0.0603 187 PRO B CD ? ? 1 +5811 C C . PRO B 186 0.1434 1.0022 1.1356 -0.1570 -0.0201 -0.0469 187 PRO B C ? ? 1 +5812 O O . PRO B 186 0.1456 0.9894 1.1226 -0.1548 -0.0197 -0.0426 187 PRO B O ? ? 1 +5813 N N . ASP B 187 0.1368 1.0089 1.1366 -0.1511 -0.0252 -0.0491 188 ASP B N ? ? 1 +5814 C CA . ASP B 187 0.1304 0.9991 1.1200 -0.1417 -0.0302 -0.0464 188 ASP B CA ? ? 1 +5815 C CB . ASP B 187 0.1274 1.0111 1.1267 -0.1364 -0.0379 -0.0506 188 ASP B CB ? ? 1 +5816 C CG . ASP B 187 0.1250 1.0033 1.1126 -0.1276 -0.0445 -0.0486 188 ASP B CG ? ? 1 +5817 O OD1 . ASP B 187 0.1301 0.9979 1.1075 -0.1274 -0.0483 -0.0480 188 ASP B OD1 ? ? 1 +5818 O OD2 . ASP B 187 0.1211 1.0055 1.1096 -0.1211 -0.0457 -0.0476 188 ASP B OD2 ? ? 1 +5819 C C . ASP B 187 0.1242 0.9879 1.1065 -0.1380 -0.0241 -0.0409 188 ASP B C ? ? 1 +5820 O O . ASP B 187 0.1181 0.9759 1.0897 -0.1310 -0.0267 -0.0376 188 ASP B O ? ? 1 +5821 N N . GLY B 188 0.1238 0.9894 1.1116 -0.1429 -0.0159 -0.0400 189 GLY B N ? ? 1 +5822 C CA . GLY B 188 0.1188 0.9775 1.0983 -0.1405 -0.0095 -0.0346 189 GLY B CA ? ? 1 +5823 C C . GLY B 188 0.1188 0.9589 1.0804 -0.1394 -0.0085 -0.0297 189 GLY B C ? ? 1 +5824 O O . GLY B 188 0.1144 0.9480 1.0667 -0.1352 -0.0057 -0.0252 189 GLY B O ? ? 1 +5825 N N . PHE B 189 0.1223 0.9541 1.0794 -0.1432 -0.0109 -0.0306 190 PHE B N ? ? 1 +5826 C CA . PHE B 189 0.1248 0.9394 1.0655 -0.1420 -0.0104 -0.0264 190 PHE B CA ? ? 1 +5827 C CB . PHE B 189 0.1334 0.9390 1.0725 -0.1500 -0.0072 -0.0271 190 PHE B CB ? ? 1 +5828 C CG . PHE B 189 0.1377 0.9452 1.0831 -0.1563 0.0014 -0.0266 190 PHE B CG ? ? 1 +5829 C CD1 . PHE B 189 0.1390 0.9369 1.0752 -0.1557 0.0081 -0.0216 190 PHE B CD1 ? ? 1 +5830 C CD2 . PHE B 189 0.1407 0.9603 1.1017 -0.1624 0.0028 -0.0314 190 PHE B CD2 ? ? 1 +5831 C CE1 . PHE B 189 0.1450 0.9441 1.0862 -0.1613 0.0163 -0.0211 190 PHE B CE1 ? ? 1 +5832 C CE2 . PHE B 189 0.1459 0.9674 1.1127 -0.1682 0.0112 -0.0310 190 PHE B CE2 ? ? 1 +5833 C CZ . PHE B 189 0.1493 0.9603 1.1060 -0.1676 0.0180 -0.0258 190 PHE B CZ ? ? 1 +5834 C C . PHE B 189 0.1197 0.9311 1.0526 -0.1355 -0.0185 -0.0263 190 PHE B C ? ? 1 +5835 O O . PHE B 189 0.1231 0.9212 1.0432 -0.1343 -0.0191 -0.0234 190 PHE B O ? ? 1 +5836 N N . ASN B 190 0.1127 0.9361 1.0530 -0.1312 -0.0244 -0.0294 191 ASN B N ? ? 1 +5837 C CA . ASN B 190 0.1064 0.9277 1.0394 -0.1243 -0.0316 -0.0291 191 ASN B CA ? ? 1 +5838 C CB . ASN B 190 0.1052 0.9408 1.0493 -0.1219 -0.0385 -0.0342 191 ASN B CB ? ? 1 +5839 C CG . ASN B 190 0.1031 0.9363 1.0393 -0.1149 -0.0462 -0.0342 191 ASN B CG ? ? 1 +5840 O OD1 . ASN B 190 0.1007 0.9227 1.0234 -0.1107 -0.0465 -0.0302 191 ASN B OD1 ? ? 1 +5841 N ND2 . ASN B 190 0.1021 0.9462 1.0469 -0.1133 -0.0527 -0.0389 191 ASN B ND2 ? ? 1 +5842 C C . ASN B 190 0.0988 0.9156 1.0226 -0.1178 -0.0298 -0.0243 191 ASN B C ? ? 1 +5843 O O . ASN B 190 0.0925 0.9175 1.0221 -0.1155 -0.0275 -0.0239 191 ASN B O ? ? 1 +5844 N N . PRO B 191 0.0967 0.9004 1.0062 -0.1146 -0.0310 -0.0207 192 PRO B N ? ? 1 +5845 C CA . PRO B 191 0.0916 0.8901 0.9920 -0.1090 -0.0290 -0.0161 192 PRO B CA ? ? 1 +5846 C CB . PRO B 191 0.0938 0.8782 0.9801 -0.1073 -0.0309 -0.0134 192 PRO B CB ? ? 1 +5847 C CG . PRO B 191 0.0975 0.8820 0.9856 -0.1095 -0.0361 -0.0171 192 PRO B CG ? ? 1 +5848 C CD . PRO B 191 0.1007 0.8946 1.0024 -0.1159 -0.0344 -0.0211 192 PRO B CD ? ? 1 +5849 C C . PRO B 191 0.0856 0.8936 0.9895 -0.1024 -0.0330 -0.0170 192 PRO B C ? ? 1 +5850 O O . PRO B 191 0.0819 0.8897 0.9828 -0.0987 -0.0303 -0.0141 192 PRO B O ? ? 1 +5851 N N . TYR B 192 0.0853 0.9012 0.9952 -0.1009 -0.0396 -0.0211 193 TYR B N ? ? 1 +5852 C CA . TYR B 192 0.0814 0.9061 0.9946 -0.0944 -0.0440 -0.0223 193 TYR B CA ? ? 1 +5853 C CB . TYR B 192 0.0836 0.9079 0.9937 -0.0913 -0.0521 -0.0248 193 TYR B CB ? ? 1 +5854 C CG . TYR B 192 0.0873 0.8973 0.9825 -0.0895 -0.0533 -0.0216 193 TYR B CG ? ? 1 +5855 C CD1 . TYR B 192 0.0842 0.8875 0.9692 -0.0840 -0.0528 -0.0176 193 TYR B CD1 ? ? 1 +5856 C CD2 . TYR B 192 0.0933 0.8961 0.9849 -0.0936 -0.0545 -0.0226 193 TYR B CD2 ? ? 1 +5857 C CE1 . TYR B 192 0.0860 0.8768 0.9582 -0.0826 -0.0534 -0.0149 193 TYR B CE1 ? ? 1 +5858 C CE2 . TYR B 192 0.0942 0.8840 0.9725 -0.0920 -0.0551 -0.0198 193 TYR B CE2 ? ? 1 +5859 C CZ . TYR B 192 0.0909 0.8751 0.9598 -0.0865 -0.0545 -0.0159 193 TYR B CZ ? ? 1 +5860 O OH . TYR B 192 0.0930 0.8652 0.9495 -0.0849 -0.0551 -0.0133 193 TYR B OH ? ? 1 +5861 C C . TYR B 192 0.0789 0.9189 1.0072 -0.0954 -0.0430 -0.0256 193 TYR B C ? ? 1 +5862 O O . TYR B 192 0.0785 0.9266 1.0104 -0.0899 -0.0468 -0.0270 193 TYR B O ? ? 1 +5863 N N . ASN B 193 0.0788 0.9230 1.0161 -0.1022 -0.0378 -0.0270 194 ASN B N ? ? 1 +5864 C CA . ASN B 193 0.0749 0.9338 1.0269 -0.1032 -0.0359 -0.0300 194 ASN B CA ? ? 1 +5865 C CB . ASN B 193 0.0791 0.9442 1.0427 -0.1111 -0.0339 -0.0338 194 ASN B CB ? ? 1 +5866 C CG . ASN B 193 0.0784 0.9606 1.0586 -0.1117 -0.0335 -0.0378 194 ASN B CG ? ? 1 +5867 O OD1 . ASN B 193 0.0757 0.9637 1.0589 -0.1082 -0.0304 -0.0366 194 ASN B OD1 ? ? 1 +5868 N ND2 . ASN B 193 0.0810 0.9721 1.0724 -0.1158 -0.0367 -0.0429 194 ASN B ND2 ? ? 1 +5869 C C . ASN B 193 0.0705 0.9283 1.0208 -0.1021 -0.0287 -0.0263 194 ASN B C ? ? 1 +5870 O O . ASN B 193 0.0736 0.9242 1.0204 -0.1067 -0.0222 -0.0237 194 ASN B O ? ? 1 +5871 N N . PRO B 194 0.0638 0.9278 1.0154 -0.0957 -0.0297 -0.0258 195 PRO B N ? ? 1 +5872 C CA . PRO B 194 0.0611 0.9240 1.0107 -0.0945 -0.0231 -0.0224 195 PRO B CA ? ? 1 +5873 C CB . PRO B 194 0.0574 0.9277 1.0087 -0.0866 -0.0268 -0.0230 195 PRO B CB ? ? 1 +5874 C CG . PRO B 194 0.0572 0.9290 1.0075 -0.0831 -0.0354 -0.0255 195 PRO B CG ? ? 1 +5875 C CD . PRO B 194 0.0610 0.9330 1.0157 -0.0894 -0.0372 -0.0284 195 PRO B CD ? ? 1 +5876 C C . PRO B 194 0.0618 0.9319 1.0226 -0.1006 -0.0160 -0.0238 195 PRO B C ? ? 1 +5877 O O . PRO B 194 0.0627 0.9269 1.0189 -0.1023 -0.0091 -0.0205 195 PRO B O ? ? 1 +5878 N N . GLY B 195 0.0609 0.9440 1.0364 -0.1038 -0.0177 -0.0289 196 GLY B N ? ? 1 +5879 C CA . GLY B 195 0.0624 0.9532 1.0498 -0.1103 -0.0110 -0.0307 196 GLY B CA ? ? 1 +5880 C C . GLY B 195 0.0665 0.9458 1.0480 -0.1177 -0.0047 -0.0283 196 GLY B C ? ? 1 +5881 O O . GLY B 195 0.0688 0.9491 1.0541 -0.1219 0.0030 -0.0274 196 GLY B O ? ? 1 +5882 N N . GLY B 196 0.0676 0.9356 1.0397 -0.1191 -0.0080 -0.0273 197 GLY B N ? ? 1 +5883 C CA . GLY B 196 0.0723 0.9268 1.0357 -0.1248 -0.0027 -0.0243 197 GLY B CA ? ? 1 +5884 C C . GLY B 196 0.0713 0.9152 1.0230 -0.1227 0.0033 -0.0188 197 GLY B C ? ? 1 +5885 O O . GLY B 196 0.0757 0.9126 1.0245 -0.1279 0.0100 -0.0167 197 GLY B O ? ? 1 +5886 N N . VAL B 197 0.0657 0.9085 1.0108 -0.1152 0.0007 -0.0165 198 VAL B N ? ? 1 +5887 C CA . VAL B 197 0.0654 0.8991 0.9996 -0.1125 0.0056 -0.0115 198 VAL B CA ? ? 1 +5888 C CB . VAL B 197 0.0600 0.8913 0.9859 -0.1042 0.0008 -0.0095 198 VAL B CB ? ? 1 +5889 C CG1 . VAL B 197 0.0601 0.8831 0.9758 -0.1015 0.0057 -0.0048 198 VAL B CG1 ? ? 1 +5890 C CG2 . VAL B 197 0.0594 0.8829 0.9770 -0.1024 -0.0056 -0.0092 198 VAL B CG2 ? ? 1 +5891 C C . VAL B 197 0.0662 0.9070 1.0082 -0.1147 0.0129 -0.0116 198 VAL B C ? ? 1 +5892 O O . VAL B 197 0.0703 0.9028 1.0057 -0.1169 0.0195 -0.0083 198 VAL B O ? ? 1 +5893 N N . VAL B 198 0.0623 0.9185 1.0182 -0.1138 0.0117 -0.0155 199 VAL B N ? ? 1 +5894 C CA . VAL B 198 0.0630 0.9271 1.0275 -0.1159 0.0187 -0.0161 199 VAL B CA ? ? 1 +5895 C CB . VAL B 198 0.0590 0.9409 1.0384 -0.1128 0.0156 -0.0206 199 VAL B CB ? ? 1 +5896 C CG1 . VAL B 198 0.0611 0.9524 1.0509 -0.1154 0.0233 -0.0216 199 VAL B CG1 ? ? 1 +5897 C CG2 . VAL B 198 0.0533 0.9358 1.0271 -0.1037 0.0096 -0.0196 199 VAL B CG2 ? ? 1 +5898 C C . VAL B 198 0.0689 0.9306 1.0374 -0.1249 0.0252 -0.0167 199 VAL B C ? ? 1 +5899 O O . VAL B 198 0.0728 0.9297 1.0381 -0.1275 0.0330 -0.0141 199 VAL B O ? ? 1 +5900 N N . ALA B 199 0.0698 0.9346 1.0452 -0.1297 0.0219 -0.0202 200 ALA B N ? ? 1 +5901 C CA . ALA B 199 0.0759 0.9392 1.0563 -0.1388 0.0276 -0.0215 200 ALA B CA ? ? 1 +5902 C CB . ALA B 199 0.0767 0.9446 1.0649 -0.1427 0.0220 -0.0259 200 ALA B CB ? ? 1 +5903 C C . ALA B 199 0.0816 0.9268 1.0468 -0.1414 0.0327 -0.0165 200 ALA B C ? ? 1 +5904 O O . ALA B 199 0.0880 0.9302 1.0540 -0.1470 0.0407 -0.0155 200 ALA B O ? ? 1 +5905 N N . HIS B 200 0.0798 0.9132 1.0311 -0.1370 0.0281 -0.0135 201 HIS B N ? ? 1 +5906 C CA . HIS B 200 0.0851 0.9012 1.0212 -0.1383 0.0317 -0.0087 201 HIS B CA ? ? 1 +5907 C CB . HIS B 200 0.0815 0.8874 1.0041 -0.1324 0.0256 -0.0060 201 HIS B CB ? ? 1 +5908 C CG . HIS B 200 0.0861 0.8759 0.9933 -0.1321 0.0297 -0.0008 201 HIS B CG ? ? 1 +5909 N ND1 . HIS B 200 0.0937 0.8718 0.9944 -0.1371 0.0321 0.0004 201 HIS B ND1 ? ? 1 +5910 C CE1 . HIS B 200 0.0968 0.8627 0.9844 -0.1350 0.0354 0.0051 201 HIS B CE1 ? ? 1 +5911 N NE2 . HIS B 200 0.0915 0.8610 0.9773 -0.1293 0.0357 0.0068 201 HIS B NE2 ? ? 1 +5912 C CD2 . HIS B 200 0.0848 0.8690 0.9827 -0.1274 0.0321 0.0031 201 HIS B CD2 ? ? 1 +5913 C C . HIS B 200 0.0878 0.8997 1.0186 -0.1378 0.0394 -0.0051 201 HIS B C ? ? 1 +5914 O O . HIS B 200 0.0955 0.8985 1.0215 -0.1428 0.0459 -0.0031 201 HIS B O ? ? 1 +5915 N N . HIS B 201 0.0822 0.8995 1.0128 -0.1314 0.0387 -0.0041 202 HIS B N ? ? 1 +5916 C CA . HIS B 201 0.0847 0.8975 1.0090 -0.1300 0.0454 -0.0006 202 HIS B CA ? ? 1 +5917 C CB . HIS B 201 0.0775 0.8946 0.9995 -0.1217 0.0420 0.0004 202 HIS B CB ? ? 1 +5918 C CG . HIS B 201 0.0739 0.8814 0.9836 -0.1165 0.0357 0.0028 202 HIS B CG ? ? 1 +5919 N ND1 . HIS B 201 0.0775 0.8696 0.9720 -0.1157 0.0376 0.0073 202 HIS B ND1 ? ? 1 +5920 C CE1 . HIS B 201 0.0730 0.8610 0.9608 -0.1112 0.0311 0.0081 202 HIS B CE1 ? ? 1 +5921 N NE2 . HIS B 201 0.0674 0.8658 0.9638 -0.1090 0.0251 0.0047 202 HIS B NE2 ? ? 1 +5922 C CD2 . HIS B 201 0.0678 0.8789 0.9784 -0.1121 0.0277 0.0012 202 HIS B CD2 ? ? 1 +5923 C C . HIS B 201 0.0900 0.9097 1.0244 -0.1358 0.0535 -0.0022 202 HIS B C ? ? 1 +5924 O O . HIS B 201 0.0969 0.9074 1.0239 -0.1385 0.0607 0.0010 202 HIS B O ? ? 1 +5925 N N . ILE B 202 0.0873 0.9230 1.0384 -0.1378 0.0525 -0.0070 203 ILE B N ? ? 1 +5926 C CA . ILE B 202 0.0925 0.9358 1.0546 -0.1440 0.0603 -0.0090 203 ILE B CA ? ? 1 +5927 C CB . ILE B 202 0.0880 0.9512 1.0700 -0.1450 0.0575 -0.0150 203 ILE B CB ? ? 1 +5928 C CG1 . ILE B 202 0.0805 0.9544 1.0667 -0.1370 0.0546 -0.0157 203 ILE B CG1 ? ? 1 +5929 C CG2 . ILE B 202 0.0943 0.9653 1.0891 -0.1532 0.0656 -0.0177 203 ILE B CG2 ? ? 1 +5930 C CD1 . ILE B 202 0.0747 0.9652 1.0761 -0.1352 0.0481 -0.0211 203 ILE B CD1 ? ? 1 +5931 C C . ILE B 202 0.1020 0.9344 1.0600 -0.1522 0.0654 -0.0080 203 ILE B C ? ? 1 +5932 O O . ILE B 202 0.1092 0.9348 1.0623 -0.1554 0.0736 -0.0054 203 ILE B O ? ? 1 +5933 N N . ALA B 203 0.1026 0.9328 1.0620 -0.1554 0.0605 -0.0100 204 ALA B N ? ? 1 +5934 C CA . ALA B 203 0.1120 0.9329 1.0690 -0.1636 0.0649 -0.0098 204 ALA B CA ? ? 1 +5935 C CB . ALA B 203 0.1111 0.9339 1.0731 -0.1664 0.0581 -0.0134 204 ALA B CB ? ? 1 +5936 C C . ALA B 203 0.1195 0.9205 1.0575 -0.1632 0.0683 -0.0041 204 ALA B C ? ? 1 +5937 O O . ALA B 203 0.1286 0.9218 1.0631 -0.1689 0.0760 -0.0024 204 ALA B O ? ? 1 +5938 N N . ALA B 204 0.1165 0.9094 1.0424 -0.1565 0.0626 -0.0013 205 ALA B N ? ? 1 +5939 C CA . ALA B 204 0.1238 0.8985 1.0319 -0.1553 0.0649 0.0039 205 ALA B CA ? ? 1 +5940 C CB . ALA B 204 0.1172 0.8860 1.0152 -0.1481 0.0572 0.0059 205 ALA B CB ? ? 1 +5941 C C . ALA B 204 0.1294 0.9006 1.0318 -0.1541 0.0725 0.0073 205 ALA B C ? ? 1 +5942 O O . ALA B 204 0.1393 0.8966 1.0303 -0.1564 0.0779 0.0109 205 ALA B O ? ? 1 +5943 N N . GLY B 205 0.1250 0.9082 1.0347 -0.1501 0.0727 0.0062 206 GLY B N ? ? 1 +5944 C CA . GLY B 205 0.1303 0.9119 1.0362 -0.1491 0.0800 0.0088 206 GLY B CA ? ? 1 +5945 C C . GLY B 205 0.1423 0.9226 1.0523 -0.1571 0.0894 0.0084 206 GLY B C ? ? 1 +5946 O O . GLY B 205 0.1509 0.9196 1.0498 -0.1581 0.0959 0.0122 206 GLY B O ? ? 1 +5947 N N . ILE B 206 0.1443 0.9364 1.0700 -0.1629 0.0902 0.0038 207 ILE B N ? ? 1 +5948 C CA . ILE B 206 0.1559 0.9478 1.0869 -0.1712 0.0993 0.0030 207 ILE B CA ? ? 1 +5949 C CB . ILE B 206 0.1540 0.9628 1.1053 -0.1766 0.0984 -0.0031 207 ILE B CB ? ? 1 +5950 C CG1 . ILE B 206 0.1464 0.9734 1.1110 -0.1723 0.0973 -0.0060 207 ILE B CG1 ? ? 1 +5951 C CG2 . ILE B 206 0.1656 0.9719 1.1217 -0.1867 0.1072 -0.0041 207 ILE B CG2 ? ? 1 +5952 C CD1 . ILE B 206 0.1412 0.9849 1.1238 -0.1743 0.0923 -0.0118 207 ILE B CD1 ? ? 1 +5953 C C . ILE B 206 0.1679 0.9412 1.0855 -0.1759 0.1024 0.0062 207 ILE B C ? ? 1 +5954 O O . ILE B 206 0.1784 0.9428 1.0895 -0.1796 0.1109 0.0088 207 ILE B O ? ? 1 +5955 N N . VAL B 207 0.1676 0.9347 1.0808 -0.1754 0.0956 0.0059 208 VAL B N ? ? 1 +5956 C CA . VAL B 207 0.1788 0.9280 1.0788 -0.1791 0.0975 0.0088 208 VAL B CA ? ? 1 +5957 C CB . VAL B 207 0.1754 0.9219 1.0746 -0.1787 0.0891 0.0071 208 VAL B CB ? ? 1 +5958 C CG1 . VAL B 207 0.1844 0.9106 1.0664 -0.1793 0.0896 0.0111 208 VAL B CG1 ? ? 1 +5959 C CG2 . VAL B 207 0.1756 0.9332 1.0910 -0.1857 0.0882 0.0016 208 VAL B CG2 ? ? 1 +5960 C C . VAL B 207 0.1839 0.9182 1.0658 -0.1742 0.1003 0.0146 208 VAL B C ? ? 1 +5961 O O . VAL B 207 0.1959 0.9161 1.0672 -0.1779 0.1064 0.0176 208 VAL B O ? ? 1 +5962 N N . GLY B 208 0.1761 0.9136 1.0543 -0.1661 0.0960 0.0160 209 GLY B N ? ? 1 +5963 C CA . GLY B 208 0.1805 0.9055 1.0423 -0.1611 0.0980 0.0211 209 GLY B CA ? ? 1 +5964 C C . GLY B 208 0.1897 0.9121 1.0490 -0.1636 0.1079 0.0230 209 GLY B C ? ? 1 +5965 O O . GLY B 208 0.1990 0.9063 1.0435 -0.1633 0.1121 0.0272 209 GLY B O ? ? 1 +5966 N N . ILE B 209 0.1874 0.9248 1.0614 -0.1659 0.1114 0.0198 210 ILE B N ? ? 1 +5967 C CA . ILE B 209 0.1956 0.9323 1.0692 -0.1688 0.1212 0.0210 210 ILE B CA ? ? 1 +5968 C CB . ILE B 209 0.1904 0.9471 1.0826 -0.1697 0.1231 0.0167 210 ILE B CB ? ? 1 +5969 C CG1 . ILE B 209 0.1792 0.9446 1.0726 -0.1608 0.1172 0.0165 210 ILE B CG1 ? ? 1 +5970 C CG2 . ILE B 209 0.2006 0.9582 1.0957 -0.1750 0.1346 0.0170 210 ILE B CG2 ? ? 1 +5971 C CD1 . ILE B 209 0.1716 0.9582 1.0846 -0.1605 0.1164 0.0116 210 ILE B CD1 ? ? 1 +5972 C C . ILE B 209 0.2095 0.9338 1.0777 -0.1768 0.1281 0.0223 210 ILE B C ? ? 1 +5973 O O . ILE B 209 0.2199 0.9304 1.0745 -0.1773 0.1343 0.0263 210 ILE B O ? ? 1 +5974 N N . ILE B 210 0.2104 0.9388 1.0886 -0.1830 0.1266 0.0188 211 ILE B N ? ? 1 +5975 C CA . ILE B 210 0.2236 0.9422 1.0995 -0.1917 0.1335 0.0192 211 ILE B CA ? ? 1 +5976 C CB . ILE B 210 0.2220 0.9508 1.1138 -0.1983 0.1308 0.0139 211 ILE B CB ? ? 1 +5977 C CG1 . ILE B 210 0.2155 0.9659 1.1281 -0.2004 0.1324 0.0090 211 ILE B CG1 ? ? 1 +5978 C CG2 . ILE B 210 0.2368 0.9528 1.1242 -0.2071 0.1367 0.0144 211 ILE B CG2 ? ? 1 +5979 C CD1 . ILE B 210 0.2115 0.9743 1.1412 -0.2059 0.1280 0.0031 211 ILE B CD1 ? ? 1 +5980 C C . ILE B 210 0.2311 0.9279 1.0865 -0.1902 0.1333 0.0241 211 ILE B C ? ? 1 +5981 O O . ILE B 210 0.2431 0.9266 1.0873 -0.1929 0.1410 0.0274 211 ILE B O ? ? 1 +5982 N N . ALA B 211 0.2242 0.9172 1.0744 -0.1855 0.1243 0.0245 212 ALA B N ? ? 1 +5983 C CA . ALA B 211 0.2306 0.9044 1.0617 -0.1826 0.1227 0.0290 212 ALA B CA ? ? 1 +5984 C CB . ALA B 211 0.2203 0.8951 1.0501 -0.1772 0.1123 0.0283 212 ALA B CB ? ? 1 +5985 C C . ALA B 211 0.2350 0.8992 1.0516 -0.1774 0.1265 0.0337 212 ALA B C ? ? 1 +5986 O O . ALA B 211 0.2465 0.8940 1.0486 -0.1787 0.1311 0.0375 212 ALA B O ? ? 1 +5987 N N . GLY B 212 0.2266 0.9014 1.0471 -0.1716 0.1246 0.0335 213 GLY B N ? ? 1 +5988 C CA . GLY B 212 0.2323 0.9006 1.0413 -0.1672 0.1288 0.0373 213 GLY B CA ? ? 1 +5989 C C . GLY B 212 0.2503 0.9100 1.0541 -0.1730 0.1397 0.0392 213 GLY B C ? ? 1 +5990 O O . GLY B 212 0.2616 0.9042 1.0485 -0.1721 0.1428 0.0434 213 GLY B O ? ? 1 +5991 N N . LEU B 213 0.2537 0.9254 1.0722 -0.1789 0.1455 0.0359 214 LEU B N ? ? 1 +5992 C CA . LEU B 213 0.2704 0.9357 1.0860 -0.1852 0.1565 0.0372 214 LEU B CA ? ? 1 +5993 C CB . LEU B 213 0.2701 0.9527 1.1063 -0.1919 0.1613 0.0323 214 LEU B CB ? ? 1 +5994 C CG . LEU B 213 0.2640 0.9624 1.1103 -0.1884 0.1630 0.0306 214 LEU B CG ? ? 1 +5995 C CD1 . LEU B 213 0.2626 0.9788 1.1303 -0.1952 0.1672 0.0254 214 LEU B CD1 ? ? 1 +5996 C CD2 . LEU B 213 0.2752 0.9638 1.1082 -0.1863 0.1710 0.0346 214 LEU B CD2 ? ? 1 +5997 C C . LEU B 213 0.2853 0.9317 1.0883 -0.1900 0.1595 0.0398 214 LEU B C ? ? 1 +5998 O O . LEU B 213 0.2986 0.9303 1.0875 -0.1909 0.1664 0.0436 214 LEU B O ? ? 1 +5999 N N . PHE B 214 0.2837 0.9301 1.0916 -0.1930 0.1543 0.0375 215 PHE B N ? ? 1 +6000 C CA . PHE B 214 0.2987 0.9272 1.0952 -0.1974 0.1565 0.0396 215 PHE B CA ? ? 1 +6001 C CB . PHE B 214 0.2933 0.9253 1.0980 -0.2003 0.1497 0.0362 215 PHE B CB ? ? 1 +6002 C CG . PHE B 214 0.3067 0.9188 1.0972 -0.2028 0.1500 0.0388 215 PHE B CG ? ? 1 +6003 C CD1 . PHE B 214 0.3223 0.9258 1.1121 -0.2117 0.1577 0.0386 215 PHE B CD1 ? ? 1 +6004 C CD2 . PHE B 214 0.3048 0.9064 1.0822 -0.1960 0.1428 0.0415 215 PHE B CD2 ? ? 1 +6005 C CE1 . PHE B 214 0.3350 0.9194 1.1109 -0.2136 0.1580 0.0410 215 PHE B CE1 ? ? 1 +6006 C CE2 . PHE B 214 0.3170 0.9002 1.0810 -0.1978 0.1432 0.0439 215 PHE B CE2 ? ? 1 +6007 C CZ . PHE B 214 0.3325 0.9068 1.0954 -0.2063 0.1507 0.0437 215 PHE B CZ ? ? 1 +6008 C C . PHE B 214 0.3079 0.9178 1.0824 -0.1910 0.1550 0.0451 215 PHE B C ? ? 1 +6009 O O . PHE B 214 0.3247 0.9179 1.0856 -0.1938 0.1615 0.0485 215 PHE B O ? ? 1 +6010 N N . HIS B 215 0.2966 0.9094 1.0677 -0.1825 0.1465 0.0459 216 HIS B N ? ? 1 +6011 C CA . HIS B 215 0.3029 0.9000 1.0547 -0.1759 0.1439 0.0506 216 HIS B CA ? ? 1 +6012 C CB . HIS B 215 0.2872 0.8902 1.0398 -0.1681 0.1330 0.0500 216 HIS B CB ? ? 1 +6013 C CG . HIS B 215 0.2859 0.8842 1.0383 -0.1693 0.1272 0.0489 216 HIS B CG ? ? 1 +6014 N ND1 . HIS B 215 0.2991 0.8788 1.0363 -0.1697 0.1282 0.0521 216 HIS B ND1 ? ? 1 +6015 C CE1 . HIS B 215 0.2958 0.8758 1.0371 -0.1711 0.1226 0.0500 216 HIS B CE1 ? ? 1 +6016 N NE2 . HIS B 215 0.2820 0.8797 1.0401 -0.1718 0.1183 0.0456 216 HIS B NE2 ? ? 1 +6017 C CD2 . HIS B 215 0.2754 0.8850 1.0408 -0.1706 0.1212 0.0449 216 HIS B CD2 ? ? 1 +6018 C C . HIS B 215 0.3126 0.9031 1.0530 -0.1727 0.1498 0.0542 216 HIS B C ? ? 1 +6019 O O . HIS B 215 0.3219 0.8972 1.0449 -0.1682 0.1491 0.0583 216 HIS B O ? ? 1 +6020 N N . ILE B 216 0.3110 0.9133 1.0613 -0.1746 0.1553 0.0526 217 ILE B N ? ? 1 +6021 C CA . ILE B 216 0.3206 0.9161 1.0602 -0.1726 0.1621 0.0558 217 ILE B CA ? ? 1 +6022 C CB . ILE B 216 0.3117 0.9249 1.0641 -0.1709 0.1637 0.0533 217 ILE B CB ? ? 1 +6023 C CG1 . ILE B 216 0.2963 0.9191 1.0519 -0.1627 0.1537 0.0524 217 ILE B CG1 ? ? 1 +6024 C CG2 . ILE B 216 0.3234 0.9298 1.0659 -0.1704 0.1724 0.0562 217 ILE B CG2 ? ? 1 +6025 C CD1 . ILE B 216 0.2860 0.9269 1.0550 -0.1604 0.1537 0.0495 217 ILE B CD1 ? ? 1 +6026 C C . ILE B 216 0.3401 0.9214 1.0713 -0.1796 0.1722 0.0579 217 ILE B C ? ? 1 +6027 O O . ILE B 216 0.3536 0.9195 1.0674 -0.1773 0.1761 0.0621 217 ILE B O ? ? 1 +6028 N N . LEU B 217 0.3426 0.9289 1.0859 -0.1882 0.1761 0.0548 218 LEU B N ? ? 1 +6029 C CA . LEU B 217 0.3600 0.9359 1.0988 -0.1960 0.1869 0.0561 218 LEU B CA ? ? 1 +6030 C CB . LEU B 217 0.3568 0.9497 1.1171 -0.2042 0.1916 0.0511 218 LEU B CB ? ? 1 +6031 C CG . LEU B 217 0.3470 0.9590 1.1210 -0.2022 0.1932 0.0485 218 LEU B CG ? ? 1 +6032 C CD1 . LEU B 217 0.3422 0.9719 1.1387 -0.2099 0.1962 0.0431 218 LEU B CD1 ? ? 1 +6033 C CD2 . LEU B 217 0.3590 0.9635 1.1218 -0.2010 0.2023 0.0519 218 LEU B CD2 ? ? 1 +6034 C C . LEU B 217 0.3730 0.9298 1.0992 -0.1995 0.1875 0.0583 218 LEU B C ? ? 1 +6035 O O . LEU B 217 0.3904 0.9332 1.1066 -0.2044 0.1963 0.0607 218 LEU B O ? ? 1 +6036 N N . VAL B 218 0.3640 0.9203 1.0913 -0.1975 0.1785 0.0572 219 VAL B N ? ? 1 +6037 C CA . VAL B 218 0.3754 0.9146 1.0923 -0.2007 0.1785 0.0588 219 VAL B CA ? ? 1 +6038 C CB . VAL B 218 0.3680 0.9164 1.1004 -0.2066 0.1747 0.0541 219 VAL B CB ? ? 1 +6039 C CG1 . VAL B 218 0.3813 0.9111 1.1024 -0.2102 0.1752 0.0557 219 VAL B CG1 ? ? 1 +6040 C CG2 . VAL B 218 0.3667 0.9304 1.1180 -0.2148 0.1810 0.0498 219 VAL B CG2 ? ? 1 +6041 C C . VAL B 218 0.3764 0.9017 1.0756 -0.1923 0.1716 0.0627 219 VAL B C ? ? 1 +6042 O O . VAL B 218 0.3620 0.8950 1.0648 -0.1862 0.1623 0.0616 219 VAL B O ? ? 1 +6043 N N . ARG B 219 0.3944 0.8988 1.0742 -0.1921 0.1765 0.0671 220 ARG B N ? ? 1 +6044 C CA . ARG B 219 0.3975 0.8871 1.0594 -0.1844 0.1708 0.0709 220 ARG B CA ? ? 1 +6045 C CB . ARG B 219 0.4187 0.8866 1.0597 -0.1845 0.1783 0.0759 220 ARG B CB ? ? 1 +6046 C CG . ARG B 219 0.4230 0.8930 1.0607 -0.1833 0.1850 0.0776 220 ARG B CG ? ? 1 +6047 C CD . ARG B 219 0.4081 0.8903 1.0488 -0.1750 0.1786 0.0773 220 ARG B CD ? ? 1 +6048 N NE . ARG B 219 0.4081 0.8805 1.0351 -0.1666 0.1704 0.0800 220 ARG B NE ? ? 1 +6049 C CZ . ARG B 219 0.3986 0.8765 1.0231 -0.1584 0.1644 0.0807 220 ARG B CZ ? ? 1 +6050 N NH1 . ARG B 219 0.3882 0.8821 1.0238 -0.1571 0.1647 0.0787 220 ARG B NH1 ? ? 1 +6051 N NH2 . ARG B 219 0.3997 0.8667 1.0104 -0.1514 0.1581 0.0834 220 ARG B NH2 ? ? 1 +6052 C C . ARG B 219 0.3952 0.8809 1.0580 -0.1849 0.1640 0.0696 220 ARG B C ? ? 1 +6053 O O . ARG B 219 0.3983 0.8838 1.0685 -0.1926 0.1668 0.0672 220 ARG B O ? ? 1 +6054 N N . PRO B 220 0.3892 0.8716 1.0446 -0.1768 0.1552 0.0710 221 PRO B N ? ? 1 +6055 C CA . PRO B 220 0.3891 0.8663 1.0434 -0.1764 0.1488 0.0700 221 PRO B CA ? ? 1 +6056 C CB . PRO B 220 0.3805 0.8560 1.0262 -0.1661 0.1401 0.0720 221 PRO B CB ? ? 1 +6057 C CG . PRO B 220 0.3711 0.8576 1.0200 -0.1619 0.1404 0.0724 221 PRO B CG ? ? 1 +6058 C CD . PRO B 220 0.3831 0.8666 1.0308 -0.1677 0.1510 0.0733 221 PRO B CD ? ? 1 +6059 C C . PRO B 220 0.4120 0.8682 1.0528 -0.1807 0.1537 0.0724 221 PRO B C ? ? 1 +6060 O O . PRO B 220 0.4272 0.8679 1.0522 -0.1798 0.1593 0.0764 221 PRO B O ? ? 1 +6061 N N . PRO B 221 0.4176 0.8719 1.0635 -0.1853 0.1516 0.0700 222 PRO B N ? ? 1 +6062 C CA . PRO B 221 0.4424 0.8755 1.0740 -0.1884 0.1552 0.0723 222 PRO B CA ? ? 1 +6063 C CB . PRO B 221 0.4354 0.8735 1.0787 -0.1937 0.1518 0.0682 222 PRO B CB ? ? 1 +6064 C CG . PRO B 221 0.4121 0.8715 1.0719 -0.1908 0.1443 0.0644 222 PRO B CG ? ? 1 +6065 C CD . PRO B 221 0.4021 0.8736 1.0665 -0.1875 0.1458 0.0650 222 PRO B CD ? ? 1 +6066 C C . PRO B 221 0.4587 0.8761 1.0710 -0.1794 0.1507 0.0766 222 PRO B C ? ? 1 +6067 O O . PRO B 221 0.4440 0.8680 1.0572 -0.1719 0.1424 0.0765 222 PRO B O ? ? 1 +6068 N N . GLN B 222 0.4935 0.8899 1.0881 -0.1805 0.1566 0.0805 223 GLN B N ? ? 1 +6069 C CA . GLN B 222 0.5148 0.8942 1.0897 -0.1724 0.1532 0.0847 223 GLN B CA ? ? 1 +6070 C CB . GLN B 222 0.5536 0.9099 1.1113 -0.1760 0.1610 0.0883 223 GLN B CB ? ? 1 +6071 C CG . GLN B 222 0.5796 0.9159 1.1163 -0.1684 0.1576 0.0924 223 GLN B CG ? ? 1 +6072 C CD . GLN B 222 0.6259 0.9410 1.1448 -0.1714 0.1670 0.0965 223 GLN B CD ? ? 1 +6073 O OE1 . GLN B 222 0.6477 0.9519 1.1644 -0.1795 0.1738 0.0963 223 GLN B OE1 ? ? 1 +6074 N NE2 . GLN B 222 0.6447 0.9533 1.1503 -0.1651 0.1680 0.1002 223 GLN B NE2 ? ? 1 +6075 C C . GLN B 222 0.5063 0.8864 1.0823 -0.1676 0.1436 0.0834 223 GLN B C ? ? 1 +6076 O O . GLN B 222 0.4989 0.8787 1.0685 -0.1588 0.1369 0.0850 223 GLN B O ? ? 1 +6077 N N . ARG B 223 0.5058 0.8875 1.0906 -0.1737 0.1430 0.0802 224 ARG B N ? ? 1 +6078 C CA . ARG B 223 0.5005 0.8812 1.0855 -0.1699 0.1348 0.0788 224 ARG B CA ? ? 1 +6079 C CB . ARG B 223 0.5039 0.8819 1.0956 -0.1782 0.1365 0.0757 224 ARG B CB ? ? 1 +6080 C CG . ARG B 223 0.5278 0.8843 1.1051 -0.1832 0.1446 0.0785 224 ARG B CG ? ? 1 +6081 C CD . ARG B 223 0.5366 0.8847 1.1147 -0.1890 0.1449 0.0764 224 ARG B CD ? ? 1 +6082 N NE . ARG B 223 0.5421 0.8761 1.1067 -0.1823 0.1392 0.0783 224 ARG B NE ? ? 1 +6083 C CZ . ARG B 223 0.5562 0.8739 1.1125 -0.1854 0.1406 0.0784 224 ARG B CZ ? ? 1 +6084 N NH1 . ARG B 223 0.5713 0.8790 1.1257 -0.1946 0.1488 0.0782 224 ARG B NH1 ? ? 1 +6085 N NH2 . ARG B 223 0.5583 0.8690 1.1076 -0.1792 0.1337 0.0787 224 ARG B NH2 ? ? 1 +6086 C C . ARG B 223 0.4803 0.8802 1.0775 -0.1640 0.1260 0.0764 224 ARG B C ? ? 1 +6087 O O . ARG B 223 0.4781 0.8753 1.0699 -0.1570 0.1188 0.0770 224 ARG B O ? ? 1 +6088 N N . LEU B 224 0.4700 0.8890 1.0832 -0.1668 0.1267 0.0736 225 LEU B N ? ? 1 +6089 C CA . LEU B 224 0.4493 0.8863 1.0737 -0.1613 0.1190 0.0714 225 LEU B CA ? ? 1 +6090 C CB . LEU B 224 0.4354 0.8927 1.0798 -0.1669 0.1203 0.0672 225 LEU B CB ? ? 1 +6091 C CG . LEU B 224 0.4324 0.8949 1.0890 -0.1742 0.1198 0.0630 225 LEU B CG ? ? 1 +6092 C CD1 . LEU B 224 0.4175 0.9016 1.0940 -0.1779 0.1197 0.0587 225 LEU B CD1 ? ? 1 +6093 C CD2 . LEU B 224 0.4276 0.8878 1.0827 -0.1702 0.1117 0.0618 225 LEU B CD2 ? ? 1 +6094 C C . LEU B 224 0.4494 0.8858 1.0647 -0.1530 0.1171 0.0747 225 LEU B C ? ? 1 +6095 O O . LEU B 224 0.4361 0.8784 1.0521 -0.1460 0.1094 0.0744 225 LEU B O ? ? 1 +6096 N N . TYR B 225 0.4650 0.8943 1.0719 -0.1539 0.1241 0.0776 226 TYR B N ? ? 1 +6097 C CA . TYR B 225 0.4697 0.8968 1.0665 -0.1463 0.1228 0.0808 226 TYR B CA ? ? 1 +6098 C CB . TYR B 225 0.4823 0.9001 1.0698 -0.1492 0.1321 0.0837 226 TYR B CB ? ? 1 +6099 C CG . TYR B 225 0.4790 0.8968 1.0580 -0.1420 0.1313 0.0864 226 TYR B CG ? ? 1 +6100 C CD1 . TYR B 225 0.4836 0.8877 1.0455 -0.1344 0.1277 0.0899 226 TYR B CD1 ? ? 1 +6101 C CD2 . TYR B 225 0.4679 0.8994 1.0558 -0.1428 0.1339 0.0853 226 TYR B CD2 ? ? 1 +6102 C CE1 . TYR B 225 0.4813 0.8855 1.0353 -0.1280 0.1266 0.0922 226 TYR B CE1 ? ? 1 +6103 C CE2 . TYR B 225 0.4668 0.8980 1.0467 -0.1363 0.1330 0.0876 226 TYR B CE2 ? ? 1 +6104 C CZ . TYR B 225 0.4733 0.8909 1.0362 -0.1291 0.1293 0.0910 226 TYR B CZ ? ? 1 +6105 O OH . TYR B 225 0.4725 0.8898 1.0275 -0.1229 0.1283 0.0931 226 TYR B OH ? ? 1 +6106 C C . TYR B 225 0.4822 0.8965 1.0645 -0.1386 0.1169 0.0834 226 TYR B C ? ? 1 +6107 O O . TYR B 225 0.4727 0.8928 1.0540 -0.1311 0.1106 0.0838 226 TYR B O ? ? 1 +6108 N N . LYS B 226 0.5099 0.9068 1.0810 -0.1404 0.1190 0.0850 227 LYS B N ? ? 1 +6109 C CA . LYS B 226 0.5256 0.9091 1.0825 -0.1333 0.1139 0.0875 227 LYS B CA ? ? 1 +6110 C CB . LYS B 226 0.5681 0.9301 1.1112 -0.1367 0.1189 0.0897 227 LYS B CB ? ? 1 +6111 C CG . LYS B 226 0.6090 0.9537 1.1339 -0.1355 0.1253 0.0943 227 LYS B CG ? ? 1 +6112 C CD . LYS B 226 0.6519 0.9732 1.1584 -0.1336 0.1260 0.0973 227 LYS B CD ? ? 1 +6113 C CE . LYS B 226 0.6726 0.9938 1.1770 -0.1257 0.1164 0.0968 227 LYS B CE ? ? 1 +6114 N NZ . LYS B 226 0.7084 1.0079 1.1921 -0.1199 0.1156 0.1006 227 LYS B NZ ? ? 1 +6115 C C . LYS B 226 0.5007 0.8936 1.0662 -0.1296 0.1050 0.0847 227 LYS B C ? ? 1 +6116 O O . LYS B 226 0.4948 0.8882 1.0554 -0.1216 0.0987 0.0858 227 LYS B O ? ? 1 +6117 N N . ALA B 227 0.4870 0.8874 1.0653 -0.1356 0.1046 0.0811 228 ALA B N ? ? 1 +6118 C CA . ALA B 227 0.4684 0.8761 1.0541 -0.1329 0.0968 0.0784 228 ALA B CA ? ? 1 +6119 C CB . ALA B 227 0.4691 0.8811 1.0662 -0.1409 0.0982 0.0747 228 ALA B CB ? ? 1 +6120 C C . ALA B 227 0.4414 0.8674 1.0375 -0.1278 0.0905 0.0767 228 ALA B C ? ? 1 +6121 O O . ALA B 227 0.4365 0.8649 1.0325 -0.1220 0.0835 0.0761 228 ALA B O ? ? 1 +6122 N N . LEU B 228 0.4271 0.8656 1.0322 -0.1299 0.0932 0.0758 229 LEU B N ? ? 1 +6123 C CA . LEU B 228 0.4028 0.8582 1.0175 -0.1253 0.0877 0.0743 229 LEU B CA ? ? 1 +6124 C CB . LEU B 228 0.3906 0.8626 1.0225 -0.1314 0.0899 0.0708 229 LEU B CB ? ? 1 +6125 C CG . LEU B 228 0.3857 0.8637 1.0291 -0.1363 0.0877 0.0669 229 LEU B CG ? ? 1 +6126 C CD1 . LEU B 228 0.3752 0.8705 1.0360 -0.1419 0.0895 0.0633 229 LEU B CD1 ? ? 1 +6127 C CD2 . LEU B 228 0.3759 0.8578 1.0208 -0.1307 0.0792 0.0657 229 LEU B CD2 ? ? 1 +6128 C C . LEU B 228 0.3989 0.8526 1.0046 -0.1188 0.0873 0.0773 229 LEU B C ? ? 1 +6129 O O . LEU B 228 0.3864 0.8526 0.9985 -0.1145 0.0827 0.0763 229 LEU B O ? ? 1 +6130 N N . ARG B 229 0.4100 0.8476 1.0003 -0.1179 0.0918 0.0810 230 ARG B N ? ? 1 +6131 C CA . ARG B 229 0.4092 0.8430 0.9888 -0.1114 0.0911 0.0841 230 ARG B CA ? ? 1 +6132 C CB . ARG B 229 0.4059 0.8407 0.9818 -0.1029 0.0826 0.0844 230 ARG B CB ? ? 1 +6133 C CG . ARG B 229 0.4193 0.8438 0.9896 -0.1014 0.0793 0.0845 230 ARG B CG ? ? 1 +6134 C CD . ARG B 229 0.4511 0.8545 1.0034 -0.1006 0.0831 0.0882 230 ARG B CD ? ? 1 +6135 N NE . ARG B 229 0.4695 0.8636 1.0142 -0.0958 0.0781 0.0888 230 ARG B NE ? ? 1 +6136 C CZ . ARG B 229 0.4806 0.8719 1.0288 -0.0987 0.0770 0.0870 230 ARG B CZ ? ? 1 +6137 N NH1 . ARG B 229 0.4886 0.8821 1.0451 -0.1070 0.0815 0.0850 230 ARG B NH1 ? ? 1 +6138 N NH2 . ARG B 229 0.4794 0.8655 1.0225 -0.0931 0.0714 0.0871 230 ARG B NH2 ? ? 1 +6139 C C . ARG B 229 0.3880 0.8354 0.9763 -0.1124 0.0935 0.0831 230 ARG B C ? ? 1 +6140 O O . ARG B 229 0.3782 0.8342 0.9685 -0.1069 0.0889 0.0830 230 ARG B O ? ? 1 +6141 N N . MET B 230 0.3835 0.8323 0.9766 -0.1195 0.1009 0.0825 231 MET B N ? ? 1 +6142 C CA . MET B 230 0.3676 0.8305 0.9710 -0.1213 0.1035 0.0811 231 MET B CA ? ? 1 +6143 C CB . MET B 230 0.3707 0.8364 0.9829 -0.1305 0.1111 0.0793 231 MET B CB ? ? 1 +6144 C CG . MET B 230 0.3594 0.8354 0.9866 -0.1350 0.1082 0.0753 231 MET B CG ? ? 1 +6145 S SD . MET B 230 0.3605 0.8437 1.0008 -0.1456 0.1166 0.0726 231 MET B SD ? ? 1 +6146 C CE . MET B 230 0.3569 0.8428 1.0067 -0.1498 0.1125 0.0691 231 MET B CE ? ? 1 +6147 C C . MET B 230 0.3683 0.8260 0.9603 -0.1168 0.1058 0.0842 231 MET B C ? ? 1 +6148 O O . MET B 230 0.3606 0.8289 0.9591 -0.1171 0.1078 0.0834 231 MET B O ? ? 1 +6149 N N . GLY B 231 0.3771 0.8181 0.9517 -0.1125 0.1055 0.0877 232 GLY B N ? ? 1 +6150 C CA . GLY B 231 0.3798 0.8148 0.9419 -0.1070 0.1061 0.0907 232 GLY B CA ? ? 1 +6151 C C . GLY B 231 0.3629 0.8064 0.9264 -0.0992 0.0977 0.0902 232 GLY B C ? ? 1 +6152 O O . GLY B 231 0.3648 0.8075 0.9213 -0.0948 0.0976 0.0918 232 GLY B O ? ? 1 +6153 N N . ASN B 232 0.3465 0.7980 0.9190 -0.0977 0.0909 0.0878 233 ASN B N ? ? 1 +6154 C CA . ASN B 232 0.3307 0.7889 0.9042 -0.0906 0.0826 0.0872 233 ASN B CA ? ? 1 +6155 C CB . ASN B 232 0.3319 0.7821 0.9004 -0.0877 0.0776 0.0876 233 ASN B CB ? ? 1 +6156 C CG . ASN B 232 0.3186 0.7754 0.8888 -0.0808 0.0691 0.0867 233 ASN B CG ? ? 1 +6157 O OD1 . ASN B 232 0.3051 0.7735 0.8814 -0.0781 0.0660 0.0856 233 ASN B OD1 ? ? 1 +6158 N ND2 . ASN B 232 0.3223 0.7712 0.8870 -0.0781 0.0654 0.0873 233 ASN B ND2 ? ? 1 +6159 C C . ASN B 232 0.3089 0.7867 0.8998 -0.0913 0.0791 0.0836 233 ASN B C ? ? 1 +6160 O O . ASN B 232 0.3002 0.7855 0.9024 -0.0946 0.0773 0.0810 233 ASN B O ? ? 1 +6161 N N . ILE B 233 0.3000 0.7855 0.8921 -0.0877 0.0776 0.0836 234 ILE B N ? ? 1 +6162 C CA . ILE B 233 0.2809 0.7840 0.8881 -0.0882 0.0750 0.0805 234 ILE B CA ? ? 1 +6163 C CB . ILE B 233 0.2776 0.7850 0.8817 -0.0835 0.0739 0.0812 234 ILE B CB ? ? 1 +6164 C CG1 . ILE B 233 0.2622 0.7869 0.8813 -0.0846 0.0728 0.0782 234 ILE B CG1 ? ? 1 +6165 C CG2 . ILE B 233 0.2775 0.7801 0.8724 -0.0762 0.0674 0.0826 234 ILE B CG2 ? ? 1 +6166 C CD1 . ILE B 233 0.2600 0.7887 0.8765 -0.0809 0.0728 0.0787 234 ILE B CD1 ? ? 1 +6167 C C . ILE B 233 0.2661 0.7771 0.8821 -0.0866 0.0679 0.0781 234 ILE B C ? ? 1 +6168 O O . ILE B 233 0.2533 0.7779 0.8830 -0.0886 0.0663 0.0752 234 ILE B O ? ? 1 +6169 N N . GLU B 234 0.2684 0.7707 0.8763 -0.0828 0.0636 0.0793 235 GLU B N ? ? 1 +6170 C CA . GLU B 234 0.2549 0.7638 0.8700 -0.0808 0.0570 0.0772 235 GLU B CA ? ? 1 +6171 C CB . GLU B 234 0.2589 0.7580 0.8628 -0.0746 0.0522 0.0790 235 GLU B CB ? ? 1 +6172 C CG . GLU B 234 0.2448 0.7528 0.8559 -0.0712 0.0450 0.0769 235 GLU B CG ? ? 1 +6173 C CD . GLU B 234 0.2470 0.7494 0.8493 -0.0642 0.0396 0.0782 235 GLU B CD ? ? 1 +6174 O OE1 . GLU B 234 0.2596 0.7500 0.8489 -0.0614 0.0408 0.0810 235 GLU B OE1 ? ? 1 +6175 O OE2 . GLU B 234 0.2350 0.7451 0.8436 -0.0616 0.0341 0.0764 235 GLU B OE2 ? ? 1 +6176 C C . GLU B 234 0.2520 0.7633 0.8760 -0.0867 0.0583 0.0750 235 GLU B C ? ? 1 +6177 O O . GLU B 234 0.2396 0.7603 0.8734 -0.0865 0.0538 0.0724 235 GLU B O ? ? 1 +6178 N N . THR B 235 0.2636 0.7667 0.8847 -0.0920 0.0645 0.0758 236 THR B N ? ? 1 +6179 C CA . THR B 235 0.2614 0.7680 0.8922 -0.0983 0.0660 0.0733 236 THR B CA ? ? 1 +6180 C CB . THR B 235 0.2779 0.7729 0.9031 -0.1041 0.0731 0.0745 236 THR B CB ? ? 1 +6181 O OG1 . THR B 235 0.2782 0.7730 0.9094 -0.1083 0.0722 0.0723 236 THR B OG1 ? ? 1 +6182 C CG2 . THR B 235 0.2802 0.7801 0.9102 -0.1090 0.0799 0.0743 236 THR B CG2 ? ? 1 +6183 C C . THR B 235 0.2454 0.7696 0.8921 -0.1009 0.0655 0.0700 236 THR B C ? ? 1 +6184 O O . THR B 235 0.2355 0.7679 0.8923 -0.1026 0.0622 0.0672 236 THR B O ? ? 1 +6185 N N . VAL B 236 0.2425 0.7724 0.8906 -0.1005 0.0684 0.0705 237 VAL B N ? ? 1 +6186 C CA . VAL B 236 0.2298 0.7759 0.8922 -0.1024 0.0681 0.0676 237 VAL B CA ? ? 1 +6187 C CB . VAL B 236 0.2329 0.7823 0.8949 -0.1026 0.0731 0.0685 237 VAL B CB ? ? 1 +6188 C CG1 . VAL B 236 0.2215 0.7878 0.8992 -0.1049 0.0731 0.0652 237 VAL B CG1 ? ? 1 +6189 C CG2 . VAL B 236 0.2493 0.7874 0.9036 -0.1069 0.0810 0.0706 237 VAL B CG2 ? ? 1 +6190 C C . VAL B 236 0.2128 0.7690 0.8814 -0.0977 0.0605 0.0658 237 VAL B C ? ? 1 +6191 O O . VAL B 236 0.2017 0.7695 0.8827 -0.0996 0.0582 0.0628 237 VAL B O ? ? 1 +6192 N N . LEU B 237 0.2105 0.7621 0.8703 -0.0915 0.0565 0.0677 238 LEU B N ? ? 1 +6193 C CA . LEU B 237 0.1957 0.7557 0.8605 -0.0871 0.0495 0.0662 238 LEU B CA ? ? 1 +6194 C CB . LEU B 237 0.1984 0.7516 0.8520 -0.0806 0.0462 0.0685 238 LEU B CB ? ? 1 +6195 C CG . LEU B 237 0.1858 0.7472 0.8434 -0.0759 0.0395 0.0673 238 LEU B CG ? ? 1 +6196 C CD1 . LEU B 237 0.1746 0.7496 0.8423 -0.0761 0.0391 0.0653 238 LEU B CD1 ? ? 1 +6197 C CD2 . LEU B 237 0.1897 0.7443 0.8365 -0.0701 0.0370 0.0695 238 LEU B CD2 ? ? 1 +6198 C C . LEU B 237 0.1899 0.7514 0.8604 -0.0889 0.0461 0.0641 238 LEU B C ? ? 1 +6199 O O . LEU B 237 0.1776 0.7503 0.8585 -0.0891 0.0427 0.0614 238 LEU B O ? ? 1 +6200 N N A SER B 238 0.1997 0.7492 0.8628 -0.0901 0.0472 0.0653 239 SER B N ? ? 1 +6201 N N B SER B 238 0.1997 0.7492 0.8627 -0.0901 0.0471 0.0653 239 SER B N ? ? 1 +6202 C CA A SER B 238 0.1974 0.7464 0.8642 -0.0916 0.0441 0.0635 239 SER B CA ? ? 1 +6203 C CA B SER B 238 0.1972 0.7464 0.8641 -0.0916 0.0441 0.0634 239 SER B CA ? ? 1 +6204 C C A SER B 238 0.1914 0.7506 0.8714 -0.0973 0.0453 0.0602 239 SER B C ? ? 1 +6205 C C B SER B 238 0.1913 0.7506 0.8714 -0.0973 0.0453 0.0602 239 SER B C ? ? 1 +6206 O O A SER B 238 0.1805 0.7487 0.8688 -0.0966 0.0408 0.0577 239 SER B O ? ? 1 +6207 O O B SER B 238 0.1807 0.7489 0.8689 -0.0966 0.0408 0.0577 239 SER B O ? ? 1 +6208 C CB A SER B 238 0.2114 0.7449 0.8676 -0.0926 0.0462 0.0654 239 SER B CB ? ? 1 +6209 C CB B SER B 238 0.2112 0.7449 0.8675 -0.0924 0.0460 0.0653 239 SER B CB ? ? 1 +6210 O OG A SER B 238 0.2204 0.7434 0.8636 -0.0884 0.0472 0.0687 239 SER B OG ? ? 1 +6211 O OG B SER B 238 0.2091 0.7425 0.8690 -0.0937 0.0430 0.0633 239 SER B OG ? ? 1 +6212 N N . SER B 239 0.1986 0.7564 0.8806 -0.1029 0.0514 0.0601 240 SER B N ? ? 1 +6213 C CA . SER B 239 0.1941 0.7620 0.8892 -0.1086 0.0529 0.0568 240 SER B CA ? ? 1 +6214 C CB . SER B 239 0.2054 0.7692 0.9009 -0.1152 0.0604 0.0572 240 SER B CB ? ? 1 +6215 O OG . SER B 239 0.2118 0.7724 0.9014 -0.1145 0.0654 0.0597 240 SER B OG ? ? 1 +6216 C C . SER B 239 0.1797 0.7636 0.8860 -0.1070 0.0502 0.0546 240 SER B C ? ? 1 +6217 O O . SER B 239 0.1715 0.7649 0.8882 -0.1087 0.0472 0.0515 240 SER B O ? ? 1 +6218 N N . SER B 240 0.1770 0.7634 0.8804 -0.1033 0.0509 0.0563 241 SER B N ? ? 1 +6219 C CA . SER B 240 0.1649 0.7653 0.8779 -0.1017 0.0488 0.0544 241 SER B CA ? ? 1 +6220 C CB . SER B 240 0.1658 0.7661 0.8737 -0.0984 0.0511 0.0565 241 SER B CB ? ? 1 +6221 O OG . SER B 240 0.1740 0.7724 0.8816 -0.1024 0.0581 0.0572 241 SER B OG ? ? 1 +6222 C C . SER B 240 0.1539 0.7603 0.8704 -0.0977 0.0416 0.0528 241 SER B C ? ? 1 +6223 O O . SER B 240 0.1450 0.7628 0.8723 -0.0985 0.0392 0.0500 241 SER B O ? ? 1 +6224 N N . ILE B 241 0.1553 0.7539 0.8627 -0.0933 0.0382 0.0546 242 ILE B N ? ? 1 +6225 C CA . ILE B 241 0.1460 0.7487 0.8555 -0.0897 0.0318 0.0534 242 ILE B CA ? ? 1 +6226 C CB . ILE B 241 0.1498 0.7426 0.8481 -0.0849 0.0292 0.0558 242 ILE B CB ? ? 1 +6227 C CG1 . ILE B 241 0.1491 0.7416 0.8417 -0.0805 0.0292 0.0578 242 ILE B CG1 ? ? 1 +6228 C CG2 . ILE B 241 0.1425 0.7380 0.8431 -0.0823 0.0233 0.0542 242 ILE B CG2 ? ? 1 +6229 C CD1 . ILE B 241 0.1548 0.7371 0.8358 -0.0758 0.0271 0.0603 242 ILE B CD1 ? ? 1 +6230 C C . ILE B 241 0.1434 0.7494 0.8604 -0.0932 0.0299 0.0505 242 ILE B C ? ? 1 +6231 O O . ILE B 241 0.1334 0.7485 0.8577 -0.0921 0.0259 0.0483 242 ILE B O ? ? 1 +6232 N N . ALA B 242 0.1536 0.7514 0.8679 -0.0974 0.0329 0.0507 243 ALA B N ? ? 1 +6233 C CA . ALA B 242 0.1539 0.7538 0.8748 -0.1013 0.0314 0.0479 243 ALA B CA ? ? 1 +6234 C CB . ALA B 242 0.1665 0.7548 0.8820 -0.1057 0.0354 0.0487 243 ALA B CB ? ? 1 +6235 C C . ALA B 242 0.1474 0.7608 0.8816 -0.1046 0.0315 0.0446 243 ALA B C ? ? 1 +6236 O O . ALA B 242 0.1411 0.7610 0.8820 -0.1049 0.0274 0.0419 243 ALA B O ? ? 1 +6237 N N . ALA B 243 0.1499 0.7673 0.8876 -0.1070 0.0362 0.0449 244 ALA B N ? ? 1 +6238 C CA . ALA B 243 0.1445 0.7752 0.8951 -0.1099 0.0366 0.0418 244 ALA B CA ? ? 1 +6239 C CB . ALA B 243 0.1492 0.7816 0.9018 -0.1129 0.0431 0.0426 244 ALA B CB ? ? 1 +6240 C C . ALA B 243 0.1332 0.7741 0.8883 -0.1049 0.0314 0.0408 244 ALA B C ? ? 1 +6241 O O . ALA B 243 0.1257 0.7765 0.8904 -0.1057 0.0283 0.0377 244 ALA B O ? ? 1 +6242 N N . VAL B 244 0.1326 0.7704 0.8802 -0.0997 0.0303 0.0433 245 VAL B N ? ? 1 +6243 C CA . VAL B 244 0.1232 0.7694 0.8739 -0.0949 0.0259 0.0426 245 VAL B CA ? ? 1 +6244 C CB . VAL B 244 0.1250 0.7667 0.8667 -0.0901 0.0264 0.0456 245 VAL B CB ? ? 1 +6245 C CG1 . VAL B 244 0.1161 0.7635 0.8588 -0.0851 0.0212 0.0451 245 VAL B CG1 ? ? 1 +6246 C CG2 . VAL B 244 0.1286 0.7722 0.8709 -0.0913 0.0316 0.0466 245 VAL B CG2 ? ? 1 +6247 C C . VAL B 244 0.1173 0.7653 0.8696 -0.0931 0.0199 0.0409 245 VAL B C ? ? 1 +6248 O O . VAL B 244 0.1091 0.7666 0.8683 -0.0915 0.0165 0.0388 245 VAL B O ? ? 1 +6249 N N . PHE B 245 0.1220 0.7607 0.8680 -0.0932 0.0187 0.0416 246 PHE B N ? ? 1 +6250 C CA . PHE B 245 0.1169 0.7569 0.8637 -0.0911 0.0133 0.0401 246 PHE B CA ? ? 1 +6251 C CB . PHE B 245 0.1204 0.7494 0.8570 -0.0883 0.0117 0.0421 246 PHE B CB ? ? 1 +6252 C CG . PHE B 245 0.1293 0.7487 0.8619 -0.0917 0.0135 0.0422 246 PHE B CG ? ? 1 +6253 C CD1 . PHE B 245 0.1298 0.7507 0.8675 -0.0951 0.0119 0.0394 246 PHE B CD1 ? ? 1 +6254 C CD2 . PHE B 245 0.1381 0.7462 0.8612 -0.0914 0.0165 0.0450 246 PHE B CD2 ? ? 1 +6255 C CE1 . PHE B 245 0.1389 0.7504 0.8726 -0.0983 0.0136 0.0394 246 PHE B CE1 ? ? 1 +6256 C CE2 . PHE B 245 0.1478 0.7462 0.8667 -0.0944 0.0182 0.0452 246 PHE B CE2 ? ? 1 +6257 C CZ . PHE B 245 0.1481 0.7481 0.8724 -0.0980 0.0169 0.0423 246 PHE B CZ ? ? 1 +6258 C C . PHE B 245 0.1164 0.7615 0.8718 -0.0955 0.0123 0.0367 246 PHE B C ? ? 1 +6259 O O . PHE B 245 0.1103 0.7613 0.8702 -0.0942 0.0079 0.0345 246 PHE B O ? ? 1 +6260 N N . PHE B 246 0.1246 0.7676 0.8823 -0.1008 0.0165 0.0362 247 PHE B N ? ? 1 +6261 C CA . PHE B 246 0.1246 0.7744 0.8922 -0.1054 0.0160 0.0326 247 PHE B CA ? ? 1 +6262 C CB . PHE B 246 0.1354 0.7815 0.9044 -0.1114 0.0217 0.0327 247 PHE B CB ? ? 1 +6263 C CG . PHE B 246 0.1389 0.7913 0.9181 -0.1169 0.0215 0.0289 247 PHE B CG ? ? 1 +6264 C CD2 . PHE B 246 0.1366 0.8006 0.9267 -0.1194 0.0232 0.0267 247 PHE B CD2 ? ? 1 +6265 C CD1 . PHE B 246 0.1462 0.7924 0.9239 -0.1198 0.0201 0.0274 247 PHE B CD1 ? ? 1 +6266 C CE2 . PHE B 246 0.1385 0.8086 0.9384 -0.1247 0.0230 0.0230 247 PHE B CE2 ? ? 1 +6267 C CE1 . PHE B 246 0.1486 0.8005 0.9357 -0.1252 0.0199 0.0237 247 PHE B CE1 ? ? 1 +6268 C CZ . PHE B 246 0.1443 0.8084 0.9427 -0.1277 0.0213 0.0214 247 PHE B CZ ? ? 1 +6269 C C . PHE B 246 0.1133 0.7770 0.8909 -0.1041 0.0138 0.0304 247 PHE B C ? ? 1 +6270 O O . PHE B 246 0.1077 0.7776 0.8907 -0.1036 0.0093 0.0277 247 PHE B O ? ? 1 +6271 N N . ALA B 247 0.1104 0.7783 0.8893 -0.1030 0.0168 0.0316 248 ALA B N ? ? 1 +6272 C CA . ALA B 247 0.1013 0.7817 0.8889 -0.1012 0.0150 0.0297 248 ALA B CA ? ? 1 +6273 C CB . ALA B 247 0.1019 0.7845 0.8895 -0.1006 0.0195 0.0315 248 ALA B CB ? ? 1 +6274 C C . ALA B 247 0.0922 0.7751 0.8778 -0.0957 0.0092 0.0296 248 ALA B C ? ? 1 +6275 O O . ALA B 247 0.0861 0.7777 0.8788 -0.0948 0.0054 0.0269 248 ALA B O ? ? 1 +6276 N N . ALA B 248 0.0909 0.7660 0.8668 -0.0918 0.0083 0.0324 249 ALA B N ? ? 1 +6277 C CA . ALA B 248 0.0833 0.7600 0.8567 -0.0868 0.0034 0.0324 249 ALA B CA ? ? 1 +6278 C CB . ALA B 248 0.0850 0.7526 0.8478 -0.0834 0.0034 0.0356 249 ALA B CB ? ? 1 +6279 C C . ALA B 248 0.0803 0.7586 0.8566 -0.0873 -0.0011 0.0299 249 ALA B C ? ? 1 +6280 O O . ALA B 248 0.0745 0.7595 0.8544 -0.0848 -0.0049 0.0283 249 ALA B O ? ? 1 +6281 N N . PHE B 249 0.0851 0.7568 0.8592 -0.0905 -0.0007 0.0294 250 PHE B N ? ? 1 +6282 C CA . PHE B 249 0.0840 0.7568 0.8606 -0.0913 -0.0048 0.0268 250 PHE B CA ? ? 1 +6283 C CB . PHE B 249 0.0924 0.7555 0.8645 -0.0945 -0.0035 0.0269 250 PHE B CB ? ? 1 +6284 C CG . PHE B 249 0.0944 0.7480 0.8565 -0.0911 -0.0048 0.0291 250 PHE B CG ? ? 1 +6285 C CD1 . PHE B 249 0.0892 0.7441 0.8492 -0.0868 -0.0091 0.0288 250 PHE B CD1 ? ? 1 +6286 C CD2 . PHE B 249 0.1020 0.7453 0.8567 -0.0920 -0.0015 0.0315 250 PHE B CD2 ? ? 1 +6287 C CE1 . PHE B 249 0.0908 0.7377 0.8423 -0.0836 -0.0101 0.0307 250 PHE B CE1 ? ? 1 +6288 C CE2 . PHE B 249 0.1036 0.7387 0.8495 -0.0883 -0.0029 0.0334 250 PHE B CE2 ? ? 1 +6289 C CZ . PHE B 249 0.0976 0.7350 0.8424 -0.0843 -0.0071 0.0329 250 PHE B CZ ? ? 1 +6290 C C . PHE B 249 0.0801 0.7639 0.8675 -0.0934 -0.0065 0.0232 250 PHE B C ? ? 1 +6291 O O . PHE B 249 0.0750 0.7636 0.8648 -0.0912 -0.0111 0.0213 250 PHE B O ? ? 1 +6292 N N . VAL B 250 0.0820 0.7700 0.8759 -0.0976 -0.0027 0.0223 251 VAL B N ? ? 1 +6293 C CA . VAL B 250 0.0791 0.7784 0.8843 -0.0996 -0.0042 0.0188 251 VAL B CA ? ? 1 +6294 C CB . VAL B 250 0.0834 0.7858 0.8951 -0.1049 0.0012 0.0182 251 VAL B CB ? ? 1 +6295 C CG1 . VAL B 250 0.0795 0.7955 0.9037 -0.1061 -0.0002 0.0146 251 VAL B CG1 ? ? 1 +6296 C CG2 . VAL B 250 0.0919 0.7862 0.9015 -0.1102 0.0035 0.0178 251 VAL B CG2 ? ? 1 +6297 C C . VAL B 250 0.0714 0.7797 0.8801 -0.0949 -0.0073 0.0182 251 VAL B C ? ? 1 +6298 O O . VAL B 250 0.0681 0.7829 0.8818 -0.0940 -0.0118 0.0153 251 VAL B O ? ? 1 +6299 N N . VAL B 251 0.0696 0.7781 0.8753 -0.0918 -0.0052 0.0207 252 VAL B N ? ? 1 +6300 C CA . VAL B 251 0.0637 0.7798 0.8719 -0.0872 -0.0079 0.0202 252 VAL B CA ? ? 1 +6301 C CB . VAL B 251 0.0620 0.7789 0.8682 -0.0848 -0.0045 0.0227 252 VAL B CB ? ? 1 +6302 C CG1 . VAL B 251 0.0651 0.7858 0.8774 -0.0888 0.0008 0.0223 252 VAL B CG1 ? ? 1 +6303 C CG2 . VAL B 251 0.0635 0.7700 0.8584 -0.0824 -0.0033 0.0263 252 VAL B CG2 ? ? 1 +6304 C C . VAL B 251 0.0615 0.7747 0.8640 -0.0829 -0.0130 0.0204 252 VAL B C ? ? 1 +6305 O O . VAL B 251 0.0582 0.7779 0.8640 -0.0800 -0.0167 0.0189 252 VAL B O ? ? 1 +6306 N N . ALA B 252 0.0643 0.7678 0.8584 -0.0825 -0.0133 0.0223 253 ALA B N ? ? 1 +6307 C CA . ALA B 252 0.0625 0.7635 0.8517 -0.0789 -0.0178 0.0222 253 ALA B CA ? ? 1 +6308 C CB . ALA B 252 0.0653 0.7554 0.8447 -0.0779 -0.0171 0.0248 253 ALA B CB ? ? 1 +6309 C C . ALA B 252 0.0635 0.7680 0.8573 -0.0804 -0.0218 0.0188 253 ALA B C ? ? 1 +6310 O O . ALA B 252 0.0599 0.7676 0.8538 -0.0773 -0.0259 0.0175 253 ALA B O ? ? 1 +6311 N N . GLY B 253 0.0695 0.7726 0.8664 -0.0852 -0.0205 0.0172 254 GLY B N ? ? 1 +6312 C CA . GLY B 253 0.0725 0.7795 0.8745 -0.0871 -0.0241 0.0136 254 GLY B CA ? ? 1 +6313 C C . GLY B 253 0.0693 0.7882 0.8809 -0.0865 -0.0266 0.0107 254 GLY B C ? ? 1 +6314 O O . GLY B 253 0.0680 0.7900 0.8807 -0.0847 -0.0314 0.0085 254 GLY B O ? ? 1 +6315 N N . THR B 254 0.0692 0.7945 0.8872 -0.0878 -0.0234 0.0108 255 THR B N ? ? 1 +6316 C CA . THR B 254 0.0679 0.8051 0.8956 -0.0871 -0.0257 0.0078 255 THR B CA ? ? 1 +6317 C CB . THR B 254 0.0674 0.8115 0.9036 -0.0902 -0.0211 0.0073 255 THR B CB ? ? 1 +6318 O OG1 . THR B 254 0.0669 0.8074 0.8979 -0.0881 -0.0171 0.0108 255 THR B OG1 ? ? 1 +6319 C CG2 . THR B 254 0.0728 0.8150 0.9127 -0.0966 -0.0178 0.0062 255 THR B CG2 ? ? 1 +6320 C C . THR B 254 0.0643 0.8038 0.8888 -0.0808 -0.0290 0.0086 255 THR B C ? ? 1 +6321 O O . THR B 254 0.0633 0.8099 0.8925 -0.0788 -0.0333 0.0060 255 THR B O ? ? 1 +6322 N N . MET B 255 0.0638 0.7972 0.8803 -0.0778 -0.0273 0.0121 256 MET B N ? ? 1 +6323 C CA . MET B 255 0.0609 0.7952 0.8735 -0.0722 -0.0302 0.0129 256 MET B CA ? ? 1 +6324 C CB . MET B 255 0.0605 0.7882 0.8651 -0.0698 -0.0273 0.0167 256 MET B CB ? ? 1 +6325 C CG . MET B 255 0.0571 0.7855 0.8577 -0.0644 -0.0298 0.0177 256 MET B CG ? ? 1 +6326 S SD . MET B 255 0.0556 0.7955 0.8649 -0.0622 -0.0305 0.0157 256 MET B SD ? ? 1 +6327 C CE . MET B 255 0.0544 0.7940 0.8636 -0.0628 -0.0247 0.0182 256 MET B CE ? ? 1 +6328 C C . MET B 255 0.0624 0.7940 0.8709 -0.0702 -0.0353 0.0116 256 MET B C ? ? 1 +6329 O O . MET B 255 0.0606 0.7962 0.8696 -0.0665 -0.0390 0.0105 256 MET B O ? ? 1 +6330 N N . TRP B 256 0.0671 0.7915 0.8713 -0.0726 -0.0355 0.0117 257 TRP B N ? ? 1 +6331 C CA . TRP B 256 0.0687 0.7894 0.8678 -0.0706 -0.0399 0.0107 257 TRP B CA ? ? 1 +6332 C CB . TRP B 256 0.0711 0.7816 0.8626 -0.0719 -0.0386 0.0124 257 TRP B CB ? ? 1 +6333 C CG . TRP B 256 0.0709 0.7763 0.8552 -0.0688 -0.0421 0.0123 257 TRP B CG ? ? 1 +6334 C CD1 . TRP B 256 0.0748 0.7756 0.8562 -0.0702 -0.0443 0.0108 257 TRP B CD1 ? ? 1 +6335 N NE1 . TRP B 256 0.0740 0.7708 0.8484 -0.0664 -0.0469 0.0113 257 TRP B NE1 ? ? 1 +6336 C CE2 . TRP B 256 0.0692 0.7678 0.8418 -0.0628 -0.0464 0.0133 257 TRP B CE2 ? ? 1 +6337 C CZ2 . TRP B 256 0.0668 0.7627 0.8330 -0.0586 -0.0480 0.0144 257 TRP B CZ2 ? ? 1 +6338 C CH2 . TRP B 256 0.0624 0.7607 0.8283 -0.0558 -0.0470 0.0162 257 TRP B CH2 ? ? 1 +6339 C CZ3 . TRP B 256 0.0599 0.7633 0.8314 -0.0569 -0.0444 0.0169 257 TRP B CZ3 ? ? 1 +6340 C CE3 . TRP B 256 0.0618 0.7681 0.8397 -0.0609 -0.0425 0.0158 257 TRP B CE3 ? ? 1 +6341 C CD2 . TRP B 256 0.0667 0.7706 0.8453 -0.0641 -0.0435 0.0140 257 TRP B CD2 ? ? 1 +6342 C C . TRP B 256 0.0720 0.7985 0.8773 -0.0720 -0.0440 0.0067 257 TRP B C ? ? 1 +6343 O O . TRP B 256 0.0729 0.8011 0.8767 -0.0687 -0.0484 0.0054 257 TRP B O ? ? 1 +6344 N N . TYR B 257 0.0754 0.8046 0.8874 -0.0769 -0.0427 0.0047 258 TYR B N ? ? 1 +6345 C CA . TYR B 257 0.0784 0.8137 0.8970 -0.0786 -0.0468 0.0006 258 TYR B CA ? ? 1 +6346 C CB . TYR B 257 0.0841 0.8178 0.9066 -0.0848 -0.0447 -0.0010 258 TYR B CB ? ? 1 +6347 C CG . TYR B 257 0.0895 0.8114 0.9028 -0.0860 -0.0432 0.0009 258 TYR B CG ? ? 1 +6348 C CD1 . TYR B 257 0.0920 0.8079 0.8975 -0.0832 -0.0469 0.0008 258 TYR B CD1 ? ? 1 +6349 C CD2 . TYR B 257 0.0931 0.8093 0.9050 -0.0895 -0.0380 0.0029 258 TYR B CD2 ? ? 1 +6350 C CE1 . TYR B 257 0.0954 0.8004 0.8924 -0.0838 -0.0454 0.0026 258 TYR B CE1 ? ? 1 +6351 C CE2 . TYR B 257 0.0974 0.8025 0.9004 -0.0901 -0.0368 0.0048 258 TYR B CE2 ? ? 1 +6352 C CZ . TYR B 257 0.0978 0.7976 0.8938 -0.0872 -0.0405 0.0045 258 TYR B CZ ? ? 1 +6353 O OH . TYR B 257 0.1017 0.7911 0.8898 -0.0877 -0.0391 0.0061 258 TYR B OH ? ? 1 +6354 C C . TYR B 257 0.0748 0.8219 0.9026 -0.0770 -0.0484 -0.0016 258 TYR B C ? ? 1 +6355 O O . TYR B 257 0.0757 0.8284 0.9075 -0.0761 -0.0533 -0.0049 258 TYR B O ? ? 1 +6356 N N . GLY B 258 0.0711 0.8217 0.9018 -0.0764 -0.0446 0.0003 259 GLY B N ? ? 1 +6357 C CA . GLY B 258 0.0683 0.8302 0.9081 -0.0749 -0.0452 -0.0015 259 GLY B CA ? ? 1 +6358 C C . GLY B 258 0.0693 0.8383 0.9201 -0.0804 -0.0423 -0.0038 259 GLY B C ? ? 1 +6359 O O . GLY B 258 0.0730 0.8398 0.9255 -0.0852 -0.0420 -0.0054 259 GLY B O ? ? 1 +6360 N N . SER B 259 0.0659 0.8431 0.9237 -0.0796 -0.0398 -0.0038 260 SER B N ? ? 1 +6361 C CA . SER B 259 0.0660 0.8522 0.9357 -0.0842 -0.0370 -0.0063 260 SER B CA ? ? 1 +6362 C CB . SER B 259 0.0680 0.8485 0.9365 -0.0893 -0.0301 -0.0040 260 SER B CB ? ? 1 +6363 O OG . SER B 259 0.0652 0.8443 0.9305 -0.0871 -0.0257 -0.0008 260 SER B OG ? ? 1 +6364 C C . SER B 259 0.0625 0.8592 0.9392 -0.0807 -0.0369 -0.0071 260 SER B C ? ? 1 +6365 O O . SER B 259 0.0596 0.8551 0.9309 -0.0749 -0.0388 -0.0055 260 SER B O ? ? 1 +6366 N N . ALA B 260 0.0630 0.8698 0.9519 -0.0842 -0.0345 -0.0097 261 ALA B N ? ? 1 +6367 C CA . ALA B 260 0.0597 0.8770 0.9564 -0.0812 -0.0336 -0.0107 261 ALA B CA ? ? 1 +6368 C CB . ALA B 260 0.0614 0.8897 0.9724 -0.0865 -0.0308 -0.0141 261 ALA B CB ? ? 1 +6369 C C . ALA B 260 0.0575 0.8699 0.9475 -0.0784 -0.0289 -0.0065 261 ALA B C ? ? 1 +6370 O O . ALA B 260 0.0555 0.8736 0.9476 -0.0739 -0.0293 -0.0065 261 ALA B O ? ? 1 +6371 N N . THR B 261 0.0594 0.8611 0.9410 -0.0810 -0.0245 -0.0031 262 THR B N ? ? 1 +6372 C CA . THR B 261 0.0580 0.8543 0.9323 -0.0782 -0.0206 0.0008 262 THR B CA ? ? 1 +6373 C CB . THR B 261 0.0620 0.8512 0.9330 -0.0830 -0.0140 0.0033 262 THR B CB ? ? 1 +6374 O OG1 . THR B 261 0.0652 0.8447 0.9291 -0.0854 -0.0151 0.0043 262 THR B OG1 ? ? 1 +6375 C CG2 . THR B 261 0.0651 0.8622 0.9475 -0.0884 -0.0097 0.0010 262 THR B CG2 ? ? 1 +6376 C C . THR B 261 0.0552 0.8429 0.9176 -0.0730 -0.0237 0.0035 262 THR B C ? ? 1 +6377 O O . THR B 261 0.0552 0.8385 0.9113 -0.0705 -0.0210 0.0065 262 THR B O ? ? 1 +6378 N N . THR B 262 0.0544 0.8400 0.9136 -0.0713 -0.0294 0.0023 263 THR B N ? ? 1 +6379 C CA . THR B 262 0.0528 0.8308 0.9012 -0.0664 -0.0322 0.0047 263 THR B CA ? ? 1 +6380 C CB . THR B 262 0.0539 0.8205 0.8931 -0.0684 -0.0322 0.0066 263 THR B CB ? ? 1 +6381 O OG1 . THR B 262 0.0557 0.8230 0.8973 -0.0707 -0.0359 0.0039 263 THR B OG1 ? ? 1 +6382 C CG2 . THR B 262 0.0557 0.8167 0.8926 -0.0723 -0.0263 0.0090 263 THR B CG2 ? ? 1 +6383 C C . THR B 262 0.0523 0.8349 0.9017 -0.0618 -0.0385 0.0024 263 THR B C ? ? 1 +6384 O O . THR B 262 0.0515 0.8294 0.8956 -0.0609 -0.0426 0.0020 263 THR B O ? ? 1 +6385 N N . PRO B 263 0.0528 0.8447 0.9088 -0.0587 -0.0394 0.0009 264 PRO B N ? ? 1 +6386 C CA . PRO B 263 0.0528 0.8502 0.9112 -0.0544 -0.0455 -0.0018 264 PRO B CA ? ? 1 +6387 C CB . PRO B 263 0.0515 0.8599 0.9193 -0.0524 -0.0444 -0.0034 264 PRO B CB ? ? 1 +6388 C CG . PRO B 263 0.0505 0.8553 0.9153 -0.0531 -0.0381 -0.0002 264 PRO B CG ? ? 1 +6389 C CD . PRO B 263 0.0520 0.8490 0.9130 -0.0586 -0.0346 0.0016 264 PRO B CD ? ? 1 +6390 C C . PRO B 263 0.0519 0.8410 0.8986 -0.0494 -0.0486 0.0004 264 PRO B C ? ? 1 +6391 O O . PRO B 263 0.0522 0.8344 0.8914 -0.0481 -0.0456 0.0038 264 PRO B O ? ? 1 +6392 N N . ILE B 264 0.0526 0.8425 0.8979 -0.0466 -0.0545 -0.0016 265 ILE B N ? ? 1 +6393 C CA . ILE B 264 0.0530 0.8341 0.8869 -0.0426 -0.0575 0.0002 265 ILE B CA ? ? 1 +6394 C CB . ILE B 264 0.0570 0.8384 0.8899 -0.0417 -0.0636 -0.0025 265 ILE B CB ? ? 1 +6395 C CG1 . ILE B 264 0.0588 0.8505 0.8994 -0.0383 -0.0681 -0.0060 265 ILE B CG1 ? ? 1 +6396 C CG2 . ILE B 264 0.0586 0.8387 0.8942 -0.0475 -0.0631 -0.0039 265 ILE B CG2 ? ? 1 +6397 C CD1 . ILE B 264 0.0635 0.8541 0.9012 -0.0365 -0.0746 -0.0084 265 ILE B CD1 ? ? 1 +6398 C C . ILE B 264 0.0504 0.8313 0.8804 -0.0369 -0.0577 0.0017 265 ILE B C ? ? 1 +6399 O O . ILE B 264 0.0493 0.8216 0.8690 -0.0343 -0.0581 0.0042 265 ILE B O ? ? 1 +6400 N N . GLU B 265 0.0477 0.8378 0.8858 -0.0350 -0.0574 0.0002 266 GLU B N ? ? 1 +6401 C CA . GLU B 265 0.0465 0.8363 0.8810 -0.0296 -0.0574 0.0015 266 GLU B CA ? ? 1 +6402 C CB . GLU B 265 0.0466 0.8482 0.8914 -0.0270 -0.0586 -0.0013 266 GLU B CB ? ? 1 +6403 C CG . GLU B 265 0.0499 0.8566 0.8976 -0.0240 -0.0652 -0.0046 266 GLU B CG ? ? 1 +6404 C CD . GLU B 265 0.0501 0.8707 0.9115 -0.0235 -0.0664 -0.0084 266 GLU B CD ? ? 1 +6405 O OE1 . GLU B 265 0.0488 0.8758 0.9197 -0.0288 -0.0641 -0.0102 266 GLU B OE1 ? ? 1 +6406 O OE2 . GLU B 265 0.0519 0.8767 0.9143 -0.0178 -0.0695 -0.0096 266 GLU B OE2 ? ? 1 +6407 C C . GLU B 265 0.0431 0.8272 0.8727 -0.0303 -0.0519 0.0050 266 GLU B C ? ? 1 +6408 O O . GLU B 265 0.0434 0.8239 0.8670 -0.0262 -0.0517 0.0068 266 GLU B O ? ? 1 +6409 N N . LEU B 266 0.0408 0.8240 0.8728 -0.0356 -0.0474 0.0059 267 LEU B N ? ? 1 +6410 C CA . LEU B 266 0.0385 0.8162 0.8658 -0.0366 -0.0422 0.0092 267 LEU B CA ? ? 1 +6411 C CB . LEU B 266 0.0384 0.8217 0.8740 -0.0409 -0.0373 0.0087 267 LEU B CB ? ? 1 +6412 C CG . LEU B 266 0.0392 0.8342 0.8857 -0.0397 -0.0371 0.0060 267 LEU B CG ? ? 1 +6413 C CD1 . LEU B 266 0.0393 0.8381 0.8922 -0.0440 -0.0312 0.0061 267 LEU B CD1 ? ? 1 +6414 C CD2 . LEU B 266 0.0393 0.8351 0.8830 -0.0336 -0.0381 0.0065 267 LEU B CD2 ? ? 1 +6415 C C . LEU B 266 0.0375 0.8042 0.8549 -0.0383 -0.0415 0.0118 267 LEU B C ? ? 1 +6416 O O . LEU B 266 0.0368 0.7973 0.8472 -0.0369 -0.0393 0.0146 267 LEU B O ? ? 1 +6417 N N . PHE B 267 0.0374 0.8017 0.8545 -0.0413 -0.0432 0.0110 268 PHE B N ? ? 1 +6418 C CA . PHE B 267 0.0366 0.7910 0.8450 -0.0429 -0.0424 0.0133 268 PHE B CA ? ? 1 +6419 C CB . PHE B 267 0.0374 0.7909 0.8489 -0.0485 -0.0395 0.0132 268 PHE B CB ? ? 1 +6420 C CG . PHE B 267 0.0367 0.7929 0.8525 -0.0507 -0.0343 0.0142 268 PHE B CG ? ? 1 +6421 C CD1 . PHE B 267 0.0359 0.7859 0.8453 -0.0504 -0.0307 0.0173 268 PHE B CD1 ? ? 1 +6422 C CD2 . PHE B 267 0.0370 0.8020 0.8631 -0.0533 -0.0329 0.0119 268 PHE B CD2 ? ? 1 +6423 C CE1 . PHE B 267 0.0362 0.7879 0.8484 -0.0523 -0.0258 0.0183 268 PHE B CE1 ? ? 1 +6424 C CE2 . PHE B 267 0.0369 0.8039 0.8663 -0.0553 -0.0277 0.0128 268 PHE B CE2 ? ? 1 +6425 C CZ . PHE B 267 0.0370 0.7971 0.8591 -0.0547 -0.0242 0.0161 268 PHE B CZ ? ? 1 +6426 C C . PHE B 267 0.0372 0.7867 0.8392 -0.0409 -0.0470 0.0129 268 PHE B C ? ? 1 +6427 O O . PHE B 267 0.0371 0.7784 0.8314 -0.0415 -0.0465 0.0148 268 PHE B O ? ? 1 +6428 N N . GLY B 268 0.0373 0.7922 0.8428 -0.0386 -0.0514 0.0102 269 GLY B N ? ? 1 +6429 C CA . GLY B 268 0.0390 0.7897 0.8387 -0.0364 -0.0560 0.0094 269 GLY B CA ? ? 1 +6430 C C . GLY B 268 0.0405 0.7930 0.8440 -0.0398 -0.0583 0.0069 269 GLY B C ? ? 1 +6431 O O . GLY B 268 0.0396 0.7954 0.8496 -0.0442 -0.0560 0.0060 269 GLY B O ? ? 1 +6432 N N . PRO B 269 0.0438 0.7935 0.8428 -0.0379 -0.0629 0.0056 270 PRO B N ? ? 1 +6433 C CA . PRO B 269 0.0472 0.7974 0.8485 -0.0409 -0.0654 0.0031 270 PRO B CA ? ? 1 +6434 C CB . PRO B 269 0.0509 0.7980 0.8456 -0.0369 -0.0707 0.0020 270 PRO B CB ? ? 1 +6435 C CG . PRO B 269 0.0500 0.7921 0.8369 -0.0326 -0.0699 0.0047 270 PRO B CG ? ? 1 +6436 C CD . PRO B 269 0.0457 0.7916 0.8370 -0.0326 -0.0660 0.0062 270 PRO B CD ? ? 1 +6437 C C . PRO B 269 0.0486 0.7919 0.8465 -0.0453 -0.0624 0.0045 270 PRO B C ? ? 1 +6438 O O . PRO B 269 0.0478 0.7845 0.8396 -0.0452 -0.0591 0.0076 270 PRO B O ? ? 1 +6439 N N . THR B 270 0.0522 0.7971 0.8542 -0.0490 -0.0638 0.0020 271 THR B N ? ? 1 +6440 C CA . THR B 270 0.0547 0.7923 0.8529 -0.0528 -0.0615 0.0030 271 THR B CA ? ? 1 +6441 C CB . THR B 270 0.0554 0.7972 0.8619 -0.0580 -0.0607 0.0006 271 THR B CB ? ? 1 +6442 O OG1 . THR B 270 0.0587 0.8037 0.8674 -0.0578 -0.0659 -0.0029 271 THR B OG1 ? ? 1 +6443 C CG2 . THR B 270 0.0524 0.8020 0.8681 -0.0599 -0.0575 0.0005 271 THR B CG2 ? ? 1 +6444 C C . THR B 270 0.0602 0.7906 0.8497 -0.0509 -0.0649 0.0028 271 THR B C ? ? 1 +6445 O O . THR B 270 0.0637 0.7959 0.8517 -0.0477 -0.0694 0.0010 271 THR B O ? ? 1 +6446 N N . ARG B 271 0.0625 0.7849 0.8462 -0.0530 -0.0627 0.0043 272 ARG B N ? ? 1 +6447 C CA . ARG B 271 0.0677 0.7829 0.8430 -0.0515 -0.0653 0.0041 272 ARG B CA ? ? 1 +6448 C CB . ARG B 271 0.0678 0.7742 0.8368 -0.0533 -0.0620 0.0064 272 ARG B CB ? ? 1 +6449 C CG . ARG B 271 0.0689 0.7745 0.8421 -0.0584 -0.0598 0.0056 272 ARG B CG ? ? 1 +6450 C CD . ARG B 271 0.0712 0.7674 0.8367 -0.0591 -0.0586 0.0067 272 ARG B CD ? ? 1 +6451 N NE . ARG B 271 0.0752 0.7683 0.8359 -0.0577 -0.0627 0.0046 272 ARG B NE ? ? 1 +6452 C CZ . ARG B 271 0.0772 0.7624 0.8295 -0.0564 -0.0627 0.0055 272 ARG B CZ ? ? 1 +6453 N NH1 . ARG B 271 0.0759 0.7556 0.8240 -0.0563 -0.0590 0.0083 272 ARG B NH1 ? ? 1 +6454 N NH2 . ARG B 271 0.0812 0.7641 0.8291 -0.0548 -0.0665 0.0035 272 ARG B NH2 ? ? 1 +6455 C C . ARG B 271 0.0735 0.7914 0.8520 -0.0531 -0.0696 0.0002 272 ARG B C ? ? 1 +6456 O O . ARG B 271 0.0775 0.7928 0.8507 -0.0505 -0.0735 -0.0010 272 ARG B O ? ? 1 +6457 N N . TYR B 272 0.0764 0.7996 0.8637 -0.0574 -0.0688 -0.0018 273 TYR B N ? ? 1 +6458 C CA . TYR B 272 0.0826 0.8082 0.8735 -0.0598 -0.0726 -0.0056 273 TYR B CA ? ? 1 +6459 C CB . TYR B 272 0.0839 0.8129 0.8834 -0.0657 -0.0698 -0.0069 273 TYR B CB ? ? 1 +6460 C CG . TYR B 272 0.0848 0.8054 0.8796 -0.0683 -0.0648 -0.0040 273 TYR B CG ? ? 1 +6461 C CD1 . TYR B 272 0.0899 0.8020 0.8783 -0.0699 -0.0651 -0.0043 273 TYR B CD1 ? ? 1 +6462 C CD2 . TYR B 272 0.0816 0.8022 0.8774 -0.0687 -0.0599 -0.0009 273 TYR B CD2 ? ? 1 +6463 C CE1 . TYR B 272 0.0912 0.7954 0.8749 -0.0718 -0.0608 -0.0016 273 TYR B CE1 ? ? 1 +6464 C CE2 . TYR B 272 0.0827 0.7954 0.8735 -0.0705 -0.0557 0.0018 273 TYR B CE2 ? ? 1 +6465 C CZ . TYR B 272 0.0877 0.7922 0.8726 -0.0720 -0.0561 0.0015 273 TYR B CZ ? ? 1 +6466 O OH . TYR B 272 0.0889 0.7854 0.8686 -0.0733 -0.0521 0.0042 273 TYR B OH ? ? 1 +6467 C C . TYR B 272 0.0843 0.8169 0.8782 -0.0563 -0.0781 -0.0084 273 TYR B C ? ? 1 +6468 O O . TYR B 272 0.0894 0.8217 0.8821 -0.0562 -0.0826 -0.0113 273 TYR B O ? ? 1 +6469 N N . GLN B 273 0.0815 0.8196 0.8781 -0.0530 -0.0778 -0.0074 274 GLN B N ? ? 1 +6470 C CA . GLN B 273 0.0851 0.8295 0.8838 -0.0490 -0.0830 -0.0098 274 GLN B CA ? ? 1 +6471 C CB . GLN B 273 0.0818 0.8334 0.8861 -0.0465 -0.0815 -0.0088 274 GLN B CB ? ? 1 +6472 C CG . GLN B 273 0.0796 0.8401 0.8964 -0.0509 -0.0786 -0.0102 274 GLN B CG ? ? 1 +6473 C CD . GLN B 273 0.0755 0.8426 0.8975 -0.0487 -0.0762 -0.0090 274 GLN B CD ? ? 1 +6474 O OE1 . GLN B 273 0.0723 0.8348 0.8884 -0.0462 -0.0734 -0.0055 274 GLN B OE1 ? ? 1 +6475 N NE2 . GLN B 273 0.0749 0.8530 0.9083 -0.0496 -0.0775 -0.0120 274 GLN B NE2 ? ? 1 +6476 C C . GLN B 273 0.0890 0.8260 0.8763 -0.0444 -0.0867 -0.0093 274 GLN B C ? ? 1 +6477 O O . GLN B 273 0.0930 0.8328 0.8802 -0.0419 -0.0922 -0.0121 274 GLN B O ? ? 1 +6478 N N . TRP B 274 0.0883 0.8160 0.8661 -0.0434 -0.0837 -0.0059 275 TRP B N ? ? 1 +6479 C CA . TRP B 274 0.0937 0.8132 0.8601 -0.0399 -0.0861 -0.0053 275 TRP B CA ? ? 1 +6480 C CB . TRP B 274 0.0908 0.8027 0.8491 -0.0383 -0.0819 -0.0011 275 TRP B CB ? ? 1 +6481 C CG . TRP B 274 0.0959 0.7991 0.8425 -0.0352 -0.0836 -0.0004 275 TRP B CG ? ? 1 +6482 C CD1 . TRP B 274 0.0985 0.7935 0.8382 -0.0365 -0.0822 0.0004 275 TRP B CD1 ? ? 1 +6483 N NE1 . TRP B 274 0.1030 0.7915 0.8325 -0.0328 -0.0841 0.0008 275 TRP B NE1 ? ? 1 +6484 C CE2 . TRP B 274 0.1033 0.7951 0.8325 -0.0289 -0.0869 0.0005 275 TRP B CE2 ? ? 1 +6485 C CZ2 . TRP B 274 0.1084 0.7954 0.8284 -0.0244 -0.0895 0.0008 275 TRP B CZ2 ? ? 1 +6486 C CH2 . TRP B 274 0.1093 0.8008 0.8309 -0.0207 -0.0922 0.0004 275 TRP B CH2 ? ? 1 +6487 C CZ3 . TRP B 274 0.1046 0.8059 0.8373 -0.0215 -0.0923 -0.0006 275 TRP B CZ3 ? ? 1 +6488 C CE3 . TRP B 274 0.0994 0.8059 0.8416 -0.0263 -0.0896 -0.0010 275 TRP B CE3 ? ? 1 +6489 C CD2 . TRP B 274 0.0994 0.8007 0.8395 -0.0301 -0.0868 -0.0003 275 TRP B CD2 ? ? 1 +6490 C C . TRP B 274 0.1006 0.8153 0.8636 -0.0423 -0.0882 -0.0074 275 TRP B C ? ? 1 +6491 O O . TRP B 274 0.1068 0.8196 0.8650 -0.0398 -0.0929 -0.0094 275 TRP B O ? ? 1 +6492 N N . ASP B 275 0.1014 0.8139 0.8667 -0.0470 -0.0848 -0.0070 276 ASP B N ? ? 1 +6493 C CA . ASP B 275 0.1085 0.8156 0.8705 -0.0497 -0.0861 -0.0089 276 ASP B CA ? ? 1 +6494 C CB . ASP B 275 0.1066 0.8121 0.8726 -0.0550 -0.0817 -0.0082 276 ASP B CB ? ? 1 +6495 C CG . ASP B 275 0.1032 0.8023 0.8641 -0.0549 -0.0764 -0.0041 276 ASP B CG ? ? 1 +6496 O OD1 . ASP B 275 0.1042 0.7974 0.8564 -0.0513 -0.0761 -0.0020 276 ASP B OD1 ? ? 1 +6497 O OD2 . ASP B 275 0.0999 0.7999 0.8656 -0.0583 -0.0724 -0.0029 276 ASP B OD2 ? ? 1 +6498 C C . ASP B 275 0.1160 0.8282 0.8822 -0.0502 -0.0919 -0.0134 276 ASP B C ? ? 1 +6499 O O . ASP B 275 0.1235 0.8304 0.8830 -0.0494 -0.0952 -0.0151 276 ASP B O ? ? 1 +6500 N N . SER B 276 0.1156 0.8383 0.8930 -0.0515 -0.0931 -0.0155 277 SER B N ? ? 1 +6501 C CA . SER B 276 0.1219 0.8512 0.9051 -0.0522 -0.0988 -0.0202 277 SER B CA ? ? 1 +6502 C CB . SER B 276 0.1173 0.8555 0.9139 -0.0575 -0.0972 -0.0223 277 SER B CB ? ? 1 +6503 O OG . SER B 276 0.1096 0.8544 0.9126 -0.0567 -0.0939 -0.0203 277 SER B OG ? ? 1 +6504 C C . SER B 276 0.1273 0.8618 0.9102 -0.0466 -0.1040 -0.0216 277 SER B C ? ? 1 +6505 O O . SER B 276 0.1318 0.8726 0.9198 -0.0466 -0.1092 -0.0256 277 SER B O ? ? 1 +6506 N N . SER B 277 0.1307 0.8622 0.9072 -0.0419 -0.1027 -0.0184 278 SER B N ? ? 1 +6507 C CA . SER B 277 0.1370 0.8720 0.9119 -0.0362 -0.1073 -0.0192 278 SER B CA ? ? 1 +6508 C CB . SER B 277 0.1460 0.8758 0.9120 -0.0333 -0.1131 -0.0214 278 SER B CB ? ? 1 +6509 O OG . SER B 277 0.1512 0.8693 0.9058 -0.0336 -0.1110 -0.0194 278 SER B OG ? ? 1 +6510 C C . SER B 277 0.1391 0.8874 0.9275 -0.0366 -0.1094 -0.0221 278 SER B C ? ? 1 +6511 O O . SER B 277 0.1445 0.8981 0.9349 -0.0335 -0.1153 -0.0252 278 SER B O ? ? 1 +6512 N N . TYR B 278 0.1367 0.8903 0.9342 -0.0403 -0.1045 -0.0210 279 TYR B N ? ? 1 +6513 C CA . TYR B 278 0.1367 0.9031 0.9479 -0.0414 -0.1051 -0.0234 279 TYR B CA ? ? 1 +6514 C CB . TYR B 278 0.1294 0.8974 0.9463 -0.0453 -0.0980 -0.0208 279 TYR B CB ? ? 1 +6515 C CG . TYR B 278 0.1241 0.9050 0.9554 -0.0471 -0.0971 -0.0230 279 TYR B CG ? ? 1 +6516 C CD1 . TYR B 278 0.1250 0.9134 0.9669 -0.0520 -0.0985 -0.0269 279 TYR B CD1 ? ? 1 +6517 C CD2 . TYR B 278 0.1183 0.9037 0.9527 -0.0442 -0.0945 -0.0211 279 TYR B CD2 ? ? 1 +6518 C CE1 . TYR B 278 0.1216 0.9222 0.9772 -0.0539 -0.0972 -0.0290 279 TYR B CE1 ? ? 1 +6519 C CE2 . TYR B 278 0.1158 0.9131 0.9634 -0.0459 -0.0932 -0.0230 279 TYR B CE2 ? ? 1 +6520 C CZ . TYR B 278 0.1173 0.9224 0.9757 -0.0508 -0.0945 -0.0270 279 TYR B CZ ? ? 1 +6521 O OH . TYR B 278 0.1168 0.9341 0.9887 -0.0526 -0.0929 -0.0290 279 TYR B OH ? ? 1 +6522 C C . TYR B 278 0.1416 0.9134 0.9532 -0.0350 -0.1088 -0.0239 279 TYR B C ? ? 1 +6523 O O . TYR B 278 0.1464 0.9266 0.9646 -0.0336 -0.1139 -0.0278 279 TYR B O ? ? 1 +6524 N N . PHE B 279 0.1466 0.9130 0.9506 -0.0310 -0.1063 -0.0201 280 PHE B N ? ? 1 +6525 C CA . PHE B 279 0.1511 0.9209 0.9540 -0.0247 -0.1092 -0.0201 280 PHE B CA ? ? 1 +6526 C CB . PHE B 279 0.1472 0.9110 0.9436 -0.0224 -0.1043 -0.0155 280 PHE B CB ? ? 1 +6527 C CG . PHE B 279 0.1394 0.9076 0.9442 -0.0264 -0.0981 -0.0139 280 PHE B CG ? ? 1 +6528 C CD1 . PHE B 279 0.1372 0.9168 0.9536 -0.0262 -0.0977 -0.0155 280 PHE B CD1 ? ? 1 +6529 C CD2 . PHE B 279 0.1358 0.8969 0.9367 -0.0303 -0.0927 -0.0109 280 PHE B CD2 ? ? 1 +6530 C CE1 . PHE B 279 0.1317 0.9148 0.9551 -0.0299 -0.0918 -0.0140 280 PHE B CE1 ? ? 1 +6531 C CE2 . PHE B 279 0.1316 0.8960 0.9391 -0.0338 -0.0872 -0.0094 280 PHE B CE2 ? ? 1 +6532 C CZ . PHE B 279 0.1296 0.9048 0.9481 -0.0337 -0.0866 -0.0109 280 PHE B CZ ? ? 1 +6533 C C . PHE B 279 0.1664 0.9324 0.9608 -0.0197 -0.1160 -0.0218 280 PHE B C ? ? 1 +6534 O O . PHE B 279 0.1742 0.9473 0.9726 -0.0157 -0.1208 -0.0244 280 PHE B O ? ? 1 +6535 N N . GLN B 280 0.1748 0.9297 0.9576 -0.0199 -0.1164 -0.0207 281 GLN B N ? ? 1 +6536 C CA . GLN B 280 0.1871 0.9372 0.9607 -0.0156 -0.1225 -0.0224 281 GLN B CA ? ? 1 +6537 C CB . GLN B 280 0.1991 0.9366 0.9604 -0.0170 -0.1214 -0.0208 281 GLN B CB ? ? 1 +6538 C CG . GLN B 280 0.2168 0.9487 0.9679 -0.0129 -0.1277 -0.0229 281 GLN B CG ? ? 1 +6539 C CD . GLN B 280 0.2306 0.9490 0.9681 -0.0134 -0.1254 -0.0205 281 GLN B CD ? ? 1 +6540 O OE1 . GLN B 280 0.2423 0.9576 0.9804 -0.0184 -0.1220 -0.0201 281 GLN B OE1 ? ? 1 +6541 N NE2 . GLN B 280 0.2364 0.9462 0.9609 -0.0083 -0.1269 -0.0188 281 GLN B NE2 ? ? 1 +6542 C C . GLN B 280 0.1865 0.9457 0.9682 -0.0158 -0.1291 -0.0277 281 GLN B C ? ? 1 +6543 O O . GLN B 280 0.1887 0.9494 0.9674 -0.0105 -0.1349 -0.0295 281 GLN B O ? ? 1 +6544 N N . GLN B 281 0.1815 0.9463 0.9732 -0.0220 -0.1280 -0.0301 282 GLN B N ? ? 1 +6545 C CA . GLN B 281 0.1839 0.9582 0.9849 -0.0233 -0.1339 -0.0354 282 GLN B CA ? ? 1 +6546 C CB . GLN B 281 0.1843 0.9618 0.9942 -0.0311 -0.1311 -0.0372 282 GLN B CB ? ? 1 +6547 C CG . GLN B 281 0.1931 0.9595 0.9933 -0.0339 -0.1311 -0.0370 282 GLN B CG ? ? 1 +6548 C CD . GLN B 281 0.1955 0.9649 1.0046 -0.0416 -0.1284 -0.0388 282 GLN B CD ? ? 1 +6549 O OE1 . GLN B 281 0.1993 0.9782 1.0191 -0.0442 -0.1320 -0.0434 282 GLN B OE1 ? ? 1 +6550 N NE2 . GLN B 281 0.1928 0.9544 0.9981 -0.0454 -0.1220 -0.0355 282 GLN B NE2 ? ? 1 +6551 C C . GLN B 281 0.1744 0.9619 0.9866 -0.0201 -0.1368 -0.0377 282 GLN B C ? ? 1 +6552 O O . GLN B 281 0.1764 0.9692 0.9906 -0.0169 -0.1437 -0.0415 282 GLN B O ? ? 1 +6553 N N . GLU B 282 0.1647 0.9573 0.9840 -0.0208 -0.1316 -0.0355 283 GLU B N ? ? 1 +6554 C CA . GLU B 282 0.1624 0.9672 0.9922 -0.0176 -0.1335 -0.0374 283 GLU B CA ? ? 1 +6555 C CB . GLU B 282 0.1506 0.9598 0.9882 -0.0203 -0.1262 -0.0348 283 GLU B CB ? ? 1 +6556 C CG . GLU B 282 0.1467 0.9687 0.9956 -0.0170 -0.1273 -0.0366 283 GLU B CG ? ? 1 +6557 C CD . GLU B 282 0.1473 0.9833 1.0105 -0.0185 -0.1322 -0.0423 283 GLU B CD ? ? 1 +6558 O OE1 . GLU B 282 0.1463 0.9829 1.0124 -0.0236 -0.1339 -0.0450 283 GLU B OE1 ? ? 1 +6559 O OE2 . GLU B 282 0.1458 0.9923 1.0171 -0.0145 -0.1346 -0.0442 283 GLU B OE2 ? ? 1 +6560 C C . GLU B 282 0.1719 0.9735 0.9925 -0.0091 -0.1381 -0.0366 283 GLU B C ? ? 1 +6561 O O . GLU B 282 0.1735 0.9841 1.0001 -0.0050 -0.1437 -0.0400 283 GLU B O ? ? 1 +6562 N N . ILE B 283 0.1776 0.9664 0.9839 -0.0064 -0.1355 -0.0323 284 ILE B N ? ? 1 +6563 C CA . ILE B 283 0.1879 0.9708 0.9829 0.0014 -0.1394 -0.0311 284 ILE B CA ? ? 1 +6564 C CB . ILE B 283 0.1848 0.9530 0.9650 0.0023 -0.1345 -0.0259 284 ILE B CB ? ? 1 +6565 C CG1 . ILE B 283 0.1766 0.9464 0.9608 0.0014 -0.1279 -0.0225 284 ILE B CG1 ? ? 1 +6566 C CG2 . ILE B 283 0.1911 0.9497 0.9563 0.0093 -0.1387 -0.0248 284 ILE B CG2 ? ? 1 +6567 C CD1 . ILE B 283 0.1757 0.9331 0.9493 -0.0007 -0.1216 -0.0177 284 ILE B CD1 ? ? 1 +6568 C C . ILE B 283 0.2038 0.9863 0.9946 0.0045 -0.1476 -0.0349 284 ILE B C ? ? 1 +6569 O O . ILE B 283 0.2057 0.9923 0.9964 0.0106 -0.1530 -0.0367 284 ILE B O ? ? 1 +6570 N N . ASN B 284 0.2186 0.9957 1.0052 0.0006 -0.1486 -0.0360 285 ASN B N ? ? 1 +6571 C CA . ASN B 284 0.2419 1.0175 1.0233 0.0031 -0.1562 -0.0396 285 ASN B CA ? ? 1 +6572 C CB . ASN B 284 0.2615 1.0281 1.0358 -0.0015 -0.1556 -0.0398 285 ASN B CB ? ? 1 +6573 C CG . ASN B 284 0.2902 1.0412 1.0479 -0.0002 -0.1518 -0.0352 285 ASN B CG ? ? 1 +6574 O OD1 . ASN B 284 0.3165 1.0613 1.0648 0.0052 -0.1511 -0.0321 285 ASN B OD1 ? ? 1 +6575 N ND2 . ASN B 284 0.3034 1.0473 1.0569 -0.0051 -0.1490 -0.0346 285 ASN B ND2 ? ? 1 +6576 C C . ASN B 284 0.2399 1.0307 1.0362 0.0029 -0.1619 -0.0451 285 ASN B C ? ? 1 +6577 O O . ASN B 284 0.2447 1.0374 1.0382 0.0083 -0.1692 -0.0478 285 ASN B O ? ? 1 +6578 N N . ARG B 285 0.2343 1.0356 1.0460 -0.0033 -0.1585 -0.0467 286 ARG B N ? ? 1 +6579 C CA . ARG B 285 0.2394 1.0565 1.0673 -0.0042 -0.1628 -0.0518 286 ARG B CA ? ? 1 +6580 C CB . ARG B 285 0.2318 1.0580 1.0751 -0.0120 -0.1568 -0.0524 286 ARG B CB ? ? 1 +6581 C CG . ARG B 285 0.2352 1.0784 1.0964 -0.0140 -0.1611 -0.0583 286 ARG B CG ? ? 1 +6582 C CD . ARG B 285 0.2279 1.0812 1.1050 -0.0208 -0.1547 -0.0588 286 ARG B CD ? ? 1 +6583 N NE . ARG B 285 0.2223 1.0799 1.1035 -0.0180 -0.1501 -0.0559 286 ARG B NE ? ? 1 +6584 C CZ . ARG B 285 0.2249 1.0928 1.1131 -0.0125 -0.1534 -0.0578 286 ARG B CZ ? ? 1 +6585 N NH1 . ARG B 285 0.2337 1.1129 1.1310 -0.0106 -0.1606 -0.0633 286 ARG B NH1 ? ? 1 +6586 N NH2 . ARG B 285 0.2192 1.0865 1.1058 -0.0087 -0.1493 -0.0543 286 ARG B NH2 ? ? 1 +6587 C C . ARG B 285 0.2440 1.0682 1.0745 0.0035 -0.1665 -0.0525 286 ARG B C ? ? 1 +6588 O O . ARG B 285 0.2438 1.0752 1.0780 0.0073 -0.1742 -0.0567 286 ARG B O ? ? 1 +6589 N N . ARG B 286 0.2467 1.0681 1.0746 0.0060 -0.1613 -0.0482 287 ARG B N ? ? 1 +6590 C CA . ARG B 286 0.2549 1.0822 1.0848 0.0133 -0.1641 -0.0485 287 ARG B CA ? ? 1 +6591 C CB . ARG B 286 0.2411 1.0649 1.0691 0.0141 -0.1567 -0.0436 287 ARG B CB ? ? 1 +6592 C CG . ARG B 286 0.2273 1.0609 1.0704 0.0075 -0.1504 -0.0438 287 ARG B CG ? ? 1 +6593 C CD . ARG B 286 0.2186 1.0527 1.0629 0.0095 -0.1448 -0.0404 287 ARG B CD ? ? 1 +6594 N NE . ARG B 286 0.2047 1.0457 1.0611 0.0026 -0.1380 -0.0401 287 ARG B NE ? ? 1 +6595 C CZ . ARG B 286 0.1927 1.0378 1.0544 0.0030 -0.1329 -0.0381 287 ARG B CZ ? ? 1 +6596 N NH1 . ARG B 286 0.1903 1.0339 1.0472 0.0100 -0.1336 -0.0365 287 ARG B NH1 ? ? 1 +6597 N NH2 . ARG B 286 0.1856 1.0360 1.0574 -0.0036 -0.1267 -0.0378 287 ARG B NH2 ? ? 1 +6598 C C . ARG B 286 0.2796 1.0994 1.0958 0.0214 -0.1712 -0.0488 287 ARG B C ? ? 1 +6599 O O . ARG B 286 0.2880 1.1163 1.1091 0.0267 -0.1778 -0.0523 287 ARG B O ? ? 1 +6600 N N . VAL B 287 0.2927 1.0965 1.0916 0.0223 -0.1698 -0.0453 288 VAL B N ? ? 1 +6601 C CA . VAL B 287 0.3128 1.1071 1.0965 0.0294 -0.1758 -0.0451 288 VAL B CA ? ? 1 +6602 C CB . VAL B 287 0.3061 1.0825 1.0718 0.0288 -0.1717 -0.0404 288 VAL B CB ? ? 1 +6603 C CG1 . VAL B 287 0.3165 1.0821 1.0657 0.0350 -0.1778 -0.0407 288 VAL B CG1 ? ? 1 +6604 C CG2 . VAL B 287 0.3000 1.0708 1.0618 0.0295 -0.1644 -0.0352 288 VAL B CG2 ? ? 1 +6605 C C . VAL B 287 0.3359 1.1358 1.1222 0.0307 -0.1847 -0.0506 288 VAL B C ? ? 1 +6606 O O . VAL B 287 0.3329 1.1333 1.1146 0.0381 -0.1915 -0.0523 288 VAL B O ? ? 1 +6607 N N . GLN B 288 0.3691 1.1725 1.1621 0.0238 -0.1849 -0.0534 289 GLN B N ? ? 1 +6608 C CA . GLN B 288 0.4154 1.2253 1.2128 0.0239 -0.1931 -0.0591 289 GLN B CA ? ? 1 +6609 C CB . GLN B 288 0.4581 1.2712 1.2638 0.0148 -0.1913 -0.0616 289 GLN B CB ? ? 1 +6610 C CG . GLN B 288 0.5039 1.3022 1.2973 0.0104 -0.1862 -0.0582 289 GLN B CG ? ? 1 +6611 C CD . GLN B 288 0.5779 1.3617 1.3516 0.0161 -0.1895 -0.0564 289 GLN B CD ? ? 1 +6612 O OE1 . GLN B 288 0.6173 1.3948 1.3814 0.0222 -0.1889 -0.0531 289 GLN B OE1 ? ? 1 +6613 N NE2 . GLN B 288 0.6404 1.4181 1.4073 0.0141 -0.1930 -0.0586 289 GLN B NE2 ? ? 1 +6614 C C . GLN B 288 0.4044 1.2313 1.2172 0.0272 -0.1985 -0.0636 289 GLN B C ? ? 1 +6615 O O . GLN B 288 0.4136 1.2433 1.2242 0.0328 -0.2070 -0.0671 289 GLN B O ? ? 1 +6616 N N . ALA B 289 0.3846 1.2229 1.2131 0.0235 -0.1933 -0.0635 290 ALA B N ? ? 1 +6617 C CA . ALA B 289 0.3789 1.2344 1.2236 0.0261 -0.1970 -0.0676 290 ALA B CA ? ? 1 +6618 C CB . ALA B 289 0.3625 1.2275 1.2221 0.0208 -0.1891 -0.0664 290 ALA B CB ? ? 1 +6619 C C . ALA B 289 0.3900 1.2440 1.2271 0.0365 -0.2019 -0.0669 290 ALA B C ? ? 1 +6620 O O . ALA B 289 0.4021 1.2667 1.2465 0.0411 -0.2094 -0.0715 290 ALA B O ? ? 1 +6621 N N . SER B 290 0.3861 1.2267 1.2086 0.0402 -0.1977 -0.0614 291 SER B N ? ? 1 +6622 C CA . SER B 290 0.3921 1.2284 1.2049 0.0500 -0.2019 -0.0602 291 SER B CA ? ? 1 +6623 C CB . SER B 290 0.3788 1.2020 1.1791 0.0518 -0.1948 -0.0538 291 SER B CB ? ? 1 +6624 O OG . SER B 290 0.3644 1.1967 1.1770 0.0505 -0.1892 -0.0528 291 SER B OG ? ? 1 +6625 C C . SER B 290 0.4089 1.2376 1.2083 0.0556 -0.2106 -0.0622 291 SER B C ? ? 1 +6626 O O . SER B 290 0.4364 1.2713 1.2374 0.0627 -0.2181 -0.0653 291 SER B O ? ? 1 +6627 N N . LEU B 291 0.4118 1.2273 1.1981 0.0525 -0.2097 -0.0605 292 LEU B N ? ? 1 +6628 C CA . LEU B 291 0.4319 1.2385 1.2040 0.0572 -0.2173 -0.0622 292 LEU B CA ? ? 1 +6629 C CB . LEU B 291 0.4305 1.2228 1.1897 0.0522 -0.2140 -0.0599 292 LEU B CB ? ? 1 +6630 C CG . LEU B 291 0.4365 1.2128 1.1808 0.0524 -0.2062 -0.0532 292 LEU B CG ? ? 1 +6631 C CD1 . LEU B 291 0.4363 1.1996 1.1691 0.0473 -0.2030 -0.0514 292 LEU B CD1 ? ? 1 +6632 C CD2 . LEU B 291 0.4467 1.2136 1.1761 0.0617 -0.2091 -0.0509 292 LEU B CD2 ? ? 1 +6633 C C . LEU B 291 0.4591 1.2797 1.2430 0.0581 -0.2264 -0.0691 292 LEU B C ? ? 1 +6634 O O . LEU B 291 0.4752 1.2958 1.2533 0.0659 -0.2346 -0.0714 292 LEU B O ? ? 1 +6635 N N . ALA B 292 0.4682 1.3006 1.2687 0.0500 -0.2249 -0.0724 293 ALA B N ? ? 1 +6636 C CA . ALA B 292 0.4856 1.3325 1.2996 0.0492 -0.2327 -0.0793 293 ALA B CA ? ? 1 +6637 C CB . ALA B 292 0.4771 1.3340 1.3079 0.0387 -0.2281 -0.0815 293 ALA B CB ? ? 1 +6638 C C . ALA B 292 0.5038 1.3651 1.3288 0.0562 -0.2385 -0.0825 293 ALA B C ? ? 1 +6639 O O . ALA B 292 0.5106 1.3802 1.3404 0.0594 -0.2476 -0.0880 293 ALA B O ? ? 1 +6640 N N . SER B 293 0.5113 1.3754 1.3404 0.0587 -0.2332 -0.0794 294 SER B N ? ? 1 +6641 C CA . SER B 293 0.5275 1.4040 1.3658 0.0660 -0.2379 -0.0819 294 SER B CA ? ? 1 +6642 C CB . SER B 293 0.5174 1.4051 1.3716 0.0628 -0.2303 -0.0806 294 SER B CB ? ? 1 +6643 O OG . SER B 293 0.5443 1.4187 1.3865 0.0638 -0.2226 -0.0741 294 SER B OG ? ? 1 +6644 C C . SER B 293 0.5537 1.4181 1.3738 0.0767 -0.2416 -0.0790 294 SER B C ? ? 1 +6645 O O . SER B 293 0.5612 1.4317 1.3854 0.0832 -0.2427 -0.0789 294 SER B O ? ? 1 +6646 N N . GLY B 294 0.5719 1.4185 1.3713 0.0785 -0.2430 -0.0764 295 GLY B N ? ? 1 +6647 C CA . GLY B 294 0.5734 1.4079 1.3543 0.0886 -0.2481 -0.0745 295 GLY B CA ? ? 1 +6648 C C . GLY B 294 0.5546 1.3737 1.3204 0.0917 -0.2412 -0.0677 295 GLY B C ? ? 1 +6649 O O . GLY B 294 0.5584 1.3649 1.3066 0.0994 -0.2446 -0.0656 295 GLY B O ? ? 1 +6650 N N . ALA B 295 0.5215 1.3414 1.2938 0.0856 -0.2315 -0.0642 296 ALA B N ? ? 1 +6651 C CA . ALA B 295 0.5121 1.3183 1.2714 0.0878 -0.2246 -0.0579 296 ALA B CA ? ? 1 +6652 C CB . ALA B 295 0.5096 1.3212 1.2806 0.0806 -0.2148 -0.0554 296 ALA B CB ? ? 1 +6653 C C . ALA B 295 0.4839 1.2699 1.2214 0.0875 -0.2231 -0.0542 296 ALA B C ? ? 1 +6654 O O . ALA B 295 0.4844 1.2675 1.2195 0.0826 -0.2242 -0.0556 296 ALA B O ? ? 1 +6655 N N . THR B 296 0.4666 1.2385 1.1881 0.0929 -0.2206 -0.0495 297 THR B N ? ? 1 +6656 C CA . THR B 296 0.4694 1.2216 1.1699 0.0927 -0.2181 -0.0455 297 THR B CA ? ? 1 +6657 C CB . THR B 296 0.4783 1.2164 1.1610 0.1012 -0.2182 -0.0416 297 THR B CB ? ? 1 +6658 O OG1 . THR B 296 0.4647 1.2026 1.1509 0.1004 -0.2107 -0.0378 297 THR B OG1 ? ? 1 +6659 C CG2 . THR B 296 0.4895 1.2311 1.1699 0.1109 -0.2277 -0.0447 297 THR B CG2 ? ? 1 +6660 C C . THR B 296 0.4518 1.1997 1.1539 0.0836 -0.2083 -0.0419 297 THR B C ? ? 1 +6661 O O . THR B 296 0.4333 1.1916 1.1506 0.0785 -0.2031 -0.0418 297 THR B O ? ? 1 +6662 N N . LEU B 297 0.4543 1.1864 1.1401 0.0819 -0.2057 -0.0389 298 LEU B N ? ? 1 +6663 C CA . LEU B 297 0.4524 1.1794 1.1383 0.0738 -0.1968 -0.0356 298 LEU B CA ? ? 1 +6664 C CB . LEU B 297 0.4721 1.1818 1.1386 0.0736 -0.1961 -0.0333 298 LEU B CB ? ? 1 +6665 C CG . LEU B 297 0.4687 1.1754 1.1361 0.0652 -0.1913 -0.0327 298 LEU B CG ? ? 1 +6666 C CD1 . LEU B 297 0.4586 1.1802 1.1435 0.0596 -0.1937 -0.0373 298 LEU B CD1 ? ? 1 +6667 C CD2 . LEU B 297 0.4827 1.1743 1.1313 0.0668 -0.1933 -0.0320 298 LEU B CD2 ? ? 1 +6668 C C . LEU B 297 0.4364 1.1620 1.1240 0.0734 -0.1893 -0.0313 298 LEU B C ? ? 1 +6669 O O . LEU B 297 0.4053 1.1356 1.1029 0.0667 -0.1827 -0.0300 298 LEU B O ? ? 1 +6670 N N . GLU B 298 0.4503 1.1695 1.1284 0.0810 -0.1908 -0.0294 299 GLU B N ? ? 1 +6671 C CA . GLU B 298 0.4482 1.1649 1.1262 0.0817 -0.1844 -0.0256 299 GLU B CA ? ? 1 +6672 C CB . GLU B 298 0.5024 1.2071 1.1641 0.0907 -0.1871 -0.0234 299 GLU B CB ? ? 1 +6673 C CG . GLU B 298 0.5597 1.2470 1.2009 0.0921 -0.1878 -0.0214 299 GLU B CG ? ? 1 +6674 C CD . GLU B 298 0.6143 1.2861 1.2367 0.0994 -0.1881 -0.0181 299 GLU B CD ? ? 1 +6675 O OE1 . GLU B 298 0.6360 1.3101 1.2604 0.1044 -0.1885 -0.0175 299 GLU B OE1 ? ? 1 +6676 O OE2 . GLU B 298 0.6499 1.3068 1.2552 0.1000 -0.1878 -0.0162 299 GLU B OE2 ? ? 1 +6677 C C . GLU B 298 0.4065 1.1403 1.1046 0.0803 -0.1834 -0.0276 299 GLU B C ? ? 1 +6678 O O . GLU B 298 0.3838 1.1194 1.0880 0.0760 -0.1762 -0.0251 299 GLU B O ? ? 1 +6679 N N . GLU B 299 0.3979 1.1445 1.1063 0.0839 -0.1907 -0.0324 300 GLU B N ? ? 1 +6680 C CA . GLU B 299 0.3729 1.1369 1.1011 0.0828 -0.1902 -0.0349 300 GLU B CA ? ? 1 +6681 C CB . GLU B 299 0.3927 1.1682 1.1281 0.0891 -0.1996 -0.0401 300 GLU B CB ? ? 1 +6682 C CG . GLU B 299 0.4188 1.1874 1.1424 0.0995 -0.2042 -0.0392 300 GLU B CG ? ? 1 +6683 C CD . GLU B 299 0.4441 1.2203 1.1700 0.1067 -0.2148 -0.0442 300 GLU B CD ? ? 1 +6684 O OE1 . GLU B 299 0.4442 1.2318 1.1814 0.1034 -0.2192 -0.0488 300 GLU B OE1 ? ? 1 +6685 O OE2 . GLU B 299 0.4701 1.2398 1.1854 0.1157 -0.2188 -0.0434 300 GLU B OE2 ? ? 1 +6686 C C . GLU B 299 0.3344 1.1075 1.0770 0.0730 -0.1853 -0.0359 300 GLU B C ? ? 1 +6687 O O . GLU B 299 0.3173 1.0972 1.0706 0.0695 -0.1794 -0.0348 300 GLU B O ? ? 1 +6688 N N . ALA B 300 0.3141 1.0862 1.0558 0.0687 -0.1876 -0.0379 301 ALA B N ? ? 1 +6689 C CA . ALA B 300 0.2910 1.0707 1.0452 0.0594 -0.1836 -0.0391 301 ALA B CA ? ? 1 +6690 C CB . ALA B 300 0.2953 1.0716 1.0451 0.0565 -0.1877 -0.0416 301 ALA B CB ? ? 1 +6691 C C . ALA B 300 0.2748 1.0477 1.0269 0.0537 -0.1739 -0.0343 301 ALA B C ? ? 1 +6692 O O . ALA B 300 0.2663 1.0487 1.0322 0.0485 -0.1692 -0.0346 301 ALA B O ? ? 1 +6693 N N . TRP B 301 0.2661 1.0226 1.0009 0.0548 -0.1711 -0.0302 302 TRP B N ? ? 1 +6694 C CA . TRP B 301 0.2517 1.0008 0.9831 0.0500 -0.1623 -0.0256 302 TRP B CA ? ? 1 +6695 C CB . TRP B 301 0.2523 0.9838 0.9646 0.0504 -0.1608 -0.0223 302 TRP B CB ? ? 1 +6696 C CG . TRP B 301 0.2468 0.9758 0.9575 0.0454 -0.1618 -0.0239 302 TRP B CG ? ? 1 +6697 C CD1 . TRP B 301 0.2540 0.9781 0.9559 0.0479 -0.1678 -0.0261 302 TRP B CD1 ? ? 1 +6698 N NE1 . TRP B 301 0.2492 0.9725 0.9527 0.0417 -0.1667 -0.0271 302 TRP B NE1 ? ? 1 +6699 C CE2 . TRP B 301 0.2370 0.9643 0.9499 0.0352 -0.1597 -0.0255 302 TRP B CE2 ? ? 1 +6700 C CZ2 . TRP B 301 0.2311 0.9587 0.9484 0.0279 -0.1560 -0.0256 302 TRP B CZ2 ? ? 1 +6701 C CH2 . TRP B 301 0.2194 0.9511 0.9457 0.0227 -0.1492 -0.0236 302 TRP B CH2 ? ? 1 +6702 C CZ3 . TRP B 301 0.2125 0.9481 0.9436 0.0246 -0.1459 -0.0215 302 TRP B CZ3 ? ? 1 +6703 C CE3 . TRP B 301 0.2186 0.9539 0.9455 0.0317 -0.1494 -0.0214 302 TRP B CE3 ? ? 1 +6704 C CD2 . TRP B 301 0.2323 0.9634 0.9499 0.0373 -0.1565 -0.0234 302 TRP B CD2 ? ? 1 +6705 C C . TRP B 301 0.2472 0.9979 0.9814 0.0524 -0.1580 -0.0230 302 TRP B C ? ? 1 +6706 O O . TRP B 301 0.2369 0.9891 0.9768 0.0474 -0.1511 -0.0208 302 TRP B O ? ? 1 +6707 N N . SER B 302 0.2553 1.0057 0.9854 0.0603 -0.1621 -0.0234 303 SER B N ? ? 1 +6708 C CA . SER B 302 0.2504 1.0030 0.9837 0.0631 -0.1586 -0.0214 303 SER B CA ? ? 1 +6709 C CB . SER B 302 0.2616 1.0100 0.9860 0.0726 -0.1639 -0.0216 303 SER B CB ? ? 1 +6710 O OG . SER B 302 0.2726 1.0037 0.9774 0.0753 -0.1638 -0.0185 303 SER B OG ? ? 1 +6711 C C . SER B 302 0.2365 1.0060 0.9897 0.0601 -0.1569 -0.0239 303 SER B C ? ? 1 +6712 O O . SER B 302 0.2330 1.0041 0.9900 0.0597 -0.1517 -0.0218 303 SER B O ? ? 1 +6713 N N . ALA B 303 0.2296 1.0116 0.9953 0.0577 -0.1610 -0.0284 304 ALA B N ? ? 1 +6714 C CA . ALA B 303 0.2189 1.0172 1.0040 0.0541 -0.1591 -0.0310 304 ALA B CA ? ? 1 +6715 C CB . ALA B 303 0.2234 1.0348 1.0199 0.0548 -0.1663 -0.0367 304 ALA B CB ? ? 1 +6716 C C . ALA B 303 0.2060 1.0049 0.9972 0.0449 -0.1515 -0.0292 304 ALA B C ? ? 1 +6717 O O . ALA B 303 0.1979 1.0081 1.0034 0.0414 -0.1481 -0.0303 304 ALA B O ? ? 1 +6718 N N . ILE B 304 0.2059 0.9925 0.9859 0.0412 -0.1489 -0.0265 305 ILE B N ? ? 1 +6719 C CA . ILE B 304 0.1918 0.9777 0.9761 0.0332 -0.1419 -0.0246 305 ILE B CA ? ? 1 +6720 C CB . ILE B 304 0.1941 0.9676 0.9663 0.0299 -0.1412 -0.0228 305 ILE B CB ? ? 1 +6721 C CG1 . ILE B 304 0.1976 0.9738 0.9708 0.0295 -0.1479 -0.0269 305 ILE B CG1 ? ? 1 +6722 C CG2 . ILE B 304 0.1866 0.9577 0.9615 0.0222 -0.1337 -0.0203 305 ILE B CG2 ? ? 1 +6723 C CD1 . ILE B 304 0.1900 0.9795 0.9797 0.0237 -0.1482 -0.0307 305 ILE B CD1 ? ? 1 +6724 C C . ILE B 304 0.1851 0.9689 0.9692 0.0333 -0.1353 -0.0209 305 ILE B C ? ? 1 +6725 O O . ILE B 304 0.1942 0.9675 0.9660 0.0376 -0.1343 -0.0178 305 ILE B O ? ? 1 +6726 N N . PRO B 305 0.1725 0.9658 0.9698 0.0287 -0.1305 -0.0212 306 PRO B N ? ? 1 +6727 C CA . PRO B 305 0.1696 0.9602 0.9661 0.0283 -0.1239 -0.0177 306 PRO B CA ? ? 1 +6728 C CB . PRO B 305 0.1574 0.9613 0.9708 0.0233 -0.1204 -0.0195 306 PRO B CB ? ? 1 +6729 C CG . PRO B 305 0.1577 0.9712 0.9807 0.0211 -0.1250 -0.0240 306 PRO B CG ? ? 1 +6730 C CD . PRO B 305 0.1653 0.9714 0.9780 0.0233 -0.1308 -0.0249 306 PRO B CD ? ? 1 +6731 C C . PRO B 305 0.1770 0.9539 0.9616 0.0249 -0.1190 -0.0134 306 PRO B C ? ? 1 +6732 O O . PRO B 305 0.1717 0.9451 0.9545 0.0201 -0.1184 -0.0134 306 PRO B O ? ? 1 +6733 N N . GLU B 306 0.1871 0.9564 0.9639 0.0274 -0.1154 -0.0099 307 GLU B N ? ? 1 +6734 C CA . GLU B 306 0.1971 0.9539 0.9630 0.0245 -0.1107 -0.0060 307 GLU B CA ? ? 1 +6735 C CB . GLU B 306 0.2149 0.9640 0.9724 0.0282 -0.1076 -0.0027 307 GLU B CB ? ? 1 +6736 C CG . GLU B 306 0.2435 0.9836 0.9881 0.0349 -0.1116 -0.0020 307 GLU B CG ? ? 1 +6737 C CD . GLU B 306 0.2740 1.0036 1.0085 0.0366 -0.1074 0.0018 307 GLU B CD ? ? 1 +6738 O OE1 . GLU B 306 0.2955 1.0291 1.0358 0.0359 -0.1034 0.0027 307 GLU B OE1 ? ? 1 +6739 O OE2 . GLU B 306 0.3041 1.0214 1.0249 0.0383 -0.1077 0.0039 307 GLU B OE2 ? ? 1 +6740 C C . GLU B 306 0.1835 0.9430 0.9565 0.0170 -0.1051 -0.0051 307 GLU B C ? ? 1 +6741 O O . GLU B 306 0.1878 0.9388 0.9538 0.0135 -0.1022 -0.0028 307 GLU B O ? ? 1 +6742 N N . LYS B 307 0.1702 0.9415 0.9569 0.0148 -0.1033 -0.0068 308 LYS B N ? ? 1 +6743 C CA . LYS B 307 0.1544 0.9282 0.9478 0.0080 -0.0977 -0.0058 308 LYS B CA ? ? 1 +6744 C CB . LYS B 307 0.1494 0.9354 0.9564 0.0071 -0.0955 -0.0074 308 LYS B CB ? ? 1 +6745 C CG . LYS B 307 0.1417 0.9287 0.9536 0.0011 -0.0888 -0.0057 308 LYS B CG ? ? 1 +6746 C CD . LYS B 307 0.1392 0.9382 0.9641 0.0006 -0.0866 -0.0074 308 LYS B CD ? ? 1 +6747 C CE . LYS B 307 0.1341 0.9329 0.9624 -0.0047 -0.0798 -0.0054 308 LYS B CE ? ? 1 +6748 N NZ . LYS B 307 0.1324 0.9429 0.9732 -0.0052 -0.0774 -0.0072 308 LYS B NZ ? ? 1 +6749 C C . LYS B 307 0.1491 0.9231 0.9443 0.0031 -0.0991 -0.0075 308 LYS B C ? ? 1 +6750 O O . LYS B 307 0.1499 0.9182 0.9422 -0.0016 -0.0953 -0.0055 308 LYS B O ? ? 1 +6751 N N . LEU B 308 0.1452 0.9252 0.9448 0.0046 -0.1050 -0.0112 309 LEU B N ? ? 1 +6752 C CA . LEU B 308 0.1401 0.9203 0.9413 0.0003 -0.1070 -0.0132 309 LEU B CA ? ? 1 +6753 C CB . LEU B 308 0.1427 0.9326 0.9515 0.0024 -0.1137 -0.0179 309 LEU B CB ? ? 1 +6754 C CG . LEU B 308 0.1460 0.9369 0.9572 -0.0019 -0.1166 -0.0207 309 LEU B CG ? ? 1 +6755 C CD1 . LEU B 308 0.1407 0.9362 0.9615 -0.0094 -0.1118 -0.0210 309 LEU B CD1 ? ? 1 +6756 C CD2 . LEU B 308 0.1527 0.9533 0.9710 0.0009 -0.1238 -0.0255 309 LEU B CD2 ? ? 1 +6757 C C . LEU B 308 0.1371 0.9039 0.9239 0.0005 -0.1075 -0.0110 309 LEU B C ? ? 1 +6758 O O . LEU B 308 0.1335 0.8965 0.9192 -0.0045 -0.1055 -0.0106 309 LEU B O ? ? 1 +6759 N N . ALA B 309 0.1370 0.8964 0.9128 0.0063 -0.1100 -0.0097 310 ALA B N ? ? 1 +6760 C CA . ALA B 309 0.1389 0.8855 0.9006 0.0069 -0.1104 -0.0077 310 ALA B CA ? ? 1 +6761 C CB . ALA B 309 0.1472 0.8873 0.8980 0.0140 -0.1137 -0.0068 310 ALA B CB ? ? 1 +6762 C C . ALA B 309 0.1303 0.8697 0.8878 0.0030 -0.1036 -0.0039 310 ALA B C ? ? 1 +6763 O O . ALA B 309 0.1312 0.8632 0.8823 0.0003 -0.1026 -0.0029 310 ALA B O ? ? 1 +6764 N N . PHE B 310 0.1209 0.8628 0.8823 0.0027 -0.0993 -0.0020 311 PHE B N ? ? 1 +6765 C CA . PHE B 310 0.1115 0.8470 0.8690 -0.0004 -0.0932 0.0015 311 PHE B CA ? ? 1 +6766 C CB . PHE B 310 0.1071 0.8455 0.8680 0.0012 -0.0898 0.0031 311 PHE B CB ? ? 1 +6767 C CG . PHE B 310 0.1034 0.8338 0.8578 -0.0005 -0.0844 0.0069 311 PHE B CG ? ? 1 +6768 C CD1 . PHE B 310 0.1077 0.8270 0.8500 0.0006 -0.0840 0.0090 311 PHE B CD1 ? ? 1 +6769 C CD2 . PHE B 310 0.0965 0.8306 0.8569 -0.0029 -0.0798 0.0082 311 PHE B CD2 ? ? 1 +6770 C CE1 . PHE B 310 0.1049 0.8175 0.8419 -0.0010 -0.0793 0.0122 311 PHE B CE1 ? ? 1 +6771 C CE2 . PHE B 310 0.0955 0.8225 0.8500 -0.0041 -0.0753 0.0114 311 PHE B CE2 ? ? 1 +6772 C CZ . PHE B 310 0.0990 0.8155 0.8422 -0.0033 -0.0751 0.0133 311 PHE B CZ ? ? 1 +6773 C C . PHE B 310 0.1028 0.8398 0.8658 -0.0069 -0.0901 0.0015 311 PHE B C ? ? 1 +6774 O O . PHE B 310 0.1011 0.8305 0.8581 -0.0094 -0.0864 0.0040 311 PHE B O ? ? 1 +6775 N N . TYR B 311 0.0953 0.8421 0.8696 -0.0095 -0.0914 -0.0015 312 TYR B N ? ? 1 +6776 C CA . TYR B 311 0.0890 0.8369 0.8682 -0.0156 -0.0892 -0.0021 312 TYR B CA ? ? 1 +6777 C CB . TYR B 311 0.0858 0.8460 0.8791 -0.0182 -0.0903 -0.0055 312 TYR B CB ? ? 1 +6778 C CG . TYR B 311 0.0792 0.8470 0.8815 -0.0189 -0.0866 -0.0051 312 TYR B CG ? ? 1 +6779 C CD1 . TYR B 311 0.0736 0.8376 0.8742 -0.0212 -0.0806 -0.0018 312 TYR B CD1 ? ? 1 +6780 C CD2 . TYR B 311 0.0784 0.8577 0.8912 -0.0174 -0.0889 -0.0081 312 TYR B CD2 ? ? 1 +6781 C CE1 . TYR B 311 0.0692 0.8397 0.8775 -0.0218 -0.0770 -0.0014 312 TYR B CE1 ? ? 1 +6782 C CE2 . TYR B 311 0.0734 0.8597 0.8945 -0.0180 -0.0851 -0.0077 312 TYR B CE2 ? ? 1 +6783 C CZ . TYR B 311 0.0691 0.8507 0.8876 -0.0203 -0.0790 -0.0043 312 TYR B CZ ? ? 1 +6784 O OH . TYR B 311 0.0652 0.8533 0.8912 -0.0208 -0.0752 -0.0040 312 TYR B OH ? ? 1 +6785 C C . TYR B 311 0.0911 0.8322 0.8633 -0.0168 -0.0917 -0.0029 312 TYR B C ? ? 1 +6786 O O . TYR B 311 0.0899 0.8280 0.8622 -0.0213 -0.0892 -0.0023 312 TYR B O ? ? 1 +6787 N N . ASP B 312 0.0954 0.8341 0.8615 -0.0126 -0.0969 -0.0043 313 ASP B N ? ? 1 +6788 C CA . ASP B 312 0.0995 0.8312 0.8579 -0.0132 -0.0995 -0.0051 313 ASP B CA ? ? 1 +6789 C CB . ASP B 312 0.1050 0.8397 0.8627 -0.0094 -0.1065 -0.0084 313 ASP B CB ? ? 1 +6790 C CG . ASP B 312 0.1101 0.8406 0.8633 -0.0109 -0.1097 -0.0105 313 ASP B CG ? ? 1 +6791 O OD1 . ASP B 312 0.1071 0.8370 0.8633 -0.0161 -0.1073 -0.0108 313 ASP B OD1 ? ? 1 +6792 O OD2 . ASP B 312 0.1171 0.8451 0.8640 -0.0068 -0.1150 -0.0121 313 ASP B OD2 ? ? 1 +6793 C C . ASP B 312 0.1016 0.8210 0.8467 -0.0118 -0.0968 -0.0016 313 ASP B C ? ? 1 +6794 O O . ASP B 312 0.1081 0.8208 0.8435 -0.0088 -0.0998 -0.0017 313 ASP B O ? ? 1 +6795 N N . TYR B 313 0.0957 0.8125 0.8407 -0.0141 -0.0912 0.0015 314 TYR B N ? ? 1 +6796 C CA . TYR B 313 0.0979 0.8045 0.8319 -0.0129 -0.0883 0.0047 314 TYR B CA ? ? 1 +6797 C CB . TYR B 313 0.0993 0.8048 0.8299 -0.0085 -0.0878 0.0065 314 TYR B CB ? ? 1 +6798 C CG . TYR B 313 0.0992 0.7962 0.8217 -0.0085 -0.0834 0.0100 314 TYR B CG ? ? 1 +6799 C CD1 . TYR B 313 0.1047 0.7921 0.8164 -0.0079 -0.0832 0.0112 314 TYR B CD1 ? ? 1 +6800 C CD2 . TYR B 313 0.0943 0.7929 0.8199 -0.0091 -0.0794 0.0121 314 TYR B CD2 ? ? 1 +6801 C CE1 . TYR B 313 0.1048 0.7850 0.8098 -0.0081 -0.0790 0.0142 314 TYR B CE1 ? ? 1 +6802 C CE2 . TYR B 313 0.0948 0.7860 0.8133 -0.0093 -0.0756 0.0150 314 TYR B CE2 ? ? 1 +6803 C CZ . TYR B 313 0.0994 0.7817 0.8081 -0.0089 -0.0754 0.0160 314 TYR B CZ ? ? 1 +6804 O OH . TYR B 313 0.0983 0.7741 0.8010 -0.0094 -0.0715 0.0187 314 TYR B OH ? ? 1 +6805 C C . TYR B 313 0.0916 0.7955 0.8267 -0.0176 -0.0830 0.0068 314 TYR B C ? ? 1 +6806 O O . TYR B 313 0.0862 0.7952 0.8289 -0.0200 -0.0799 0.0074 314 TYR B O ? ? 1 +6807 N N . ILE B 314 0.0930 0.7888 0.8203 -0.0186 -0.0819 0.0077 315 ILE B N ? ? 1 +6808 C CA . ILE B 314 0.0887 0.7822 0.8173 -0.0229 -0.0777 0.0091 315 ILE B CA ? ? 1 +6809 C CB . ILE B 314 0.0938 0.7788 0.8136 -0.0234 -0.0777 0.0093 315 ILE B CB ? ? 1 +6810 C CG1 . ILE B 314 0.0912 0.7757 0.8144 -0.0279 -0.0753 0.0092 315 ILE B CG1 ? ? 1 +6811 C CG2 . ILE B 314 0.0956 0.7727 0.8059 -0.0211 -0.0752 0.0121 315 ILE B CG2 ? ? 1 +6812 C CD1 . ILE B 314 0.0961 0.7722 0.8107 -0.0282 -0.0754 0.0091 315 ILE B CD1 ? ? 1 +6813 C C . ILE B 314 0.0822 0.7748 0.8112 -0.0234 -0.0729 0.0121 315 ILE B C ? ? 1 +6814 O O . ILE B 314 0.0783 0.7711 0.8106 -0.0268 -0.0695 0.0132 315 ILE B O ? ? 1 +6815 N N . GLY B 315 0.0824 0.7736 0.8076 -0.0200 -0.0728 0.0135 316 GLY B N ? ? 1 +6816 C CA . GLY B 315 0.0774 0.7678 0.8028 -0.0202 -0.0687 0.0161 316 GLY B CA ? ? 1 +6817 C C . GLY B 315 0.0711 0.7694 0.8064 -0.0221 -0.0669 0.0159 316 GLY B C ? ? 1 +6818 O O . GLY B 315 0.0669 0.7646 0.8028 -0.0229 -0.0633 0.0180 316 GLY B O ? ? 1 +6819 N N . ASN B 316 0.0708 0.7764 0.8137 -0.0227 -0.0695 0.0133 317 ASN B N ? ? 1 +6820 C CA . ASN B 316 0.0656 0.7790 0.8185 -0.0250 -0.0676 0.0129 317 ASN B CA ? ? 1 +6821 C CB . ASN B 316 0.0671 0.7885 0.8262 -0.0225 -0.0708 0.0106 317 ASN B CB ? ? 1 +6822 C CG . ASN B 316 0.0697 0.7893 0.8239 -0.0177 -0.0717 0.0116 317 ASN B CG ? ? 1 +6823 O OD1 . ASN B 316 0.0686 0.7838 0.8184 -0.0170 -0.0685 0.0142 317 ASN B OD1 ? ? 1 +6824 N ND2 . ASN B 316 0.0747 0.7971 0.8290 -0.0140 -0.0761 0.0096 317 ASN B ND2 ? ? 1 +6825 C C . ASN B 316 0.0628 0.7779 0.8209 -0.0299 -0.0664 0.0119 317 ASN B C ? ? 1 +6826 O O . ASN B 316 0.0593 0.7805 0.8257 -0.0324 -0.0646 0.0113 317 ASN B O ? ? 1 +6827 N N . ASN B 317 0.0644 0.7736 0.8171 -0.0311 -0.0672 0.0117 318 ASN B N ? ? 1 +6828 C CA . ASN B 317 0.0631 0.7718 0.8188 -0.0354 -0.0660 0.0109 318 ASN B CA ? ? 1 +6829 C CB . ASN B 317 0.0680 0.7715 0.8178 -0.0353 -0.0689 0.0096 318 ASN B CB ? ? 1 +6830 C CG . ASN B 317 0.0688 0.7700 0.8200 -0.0395 -0.0677 0.0089 318 ASN B CG ? ? 1 +6831 O OD1 . ASN B 317 0.0658 0.7676 0.8208 -0.0427 -0.0641 0.0100 318 ASN B OD1 ? ? 1 +6832 N ND2 . ASN B 317 0.0738 0.7717 0.8212 -0.0396 -0.0707 0.0070 318 ASN B ND2 ? ? 1 +6833 C C . ASN B 317 0.0597 0.7645 0.8138 -0.0375 -0.0611 0.0138 318 ASN B C ? ? 1 +6834 O O . ASN B 317 0.0603 0.7588 0.8071 -0.0360 -0.0597 0.0159 318 ASN B O ? ? 1 +6835 N N . PRO B 318 0.0560 0.7643 0.8168 -0.0409 -0.0583 0.0140 319 PRO B N ? ? 1 +6836 C CA . PRO B 318 0.0525 0.7574 0.8118 -0.0424 -0.0538 0.0167 319 PRO B CA ? ? 1 +6837 C CB . PRO B 318 0.0510 0.7617 0.8188 -0.0457 -0.0517 0.0160 319 PRO B CB ? ? 1 +6838 C CG . PRO B 318 0.0537 0.7682 0.8263 -0.0474 -0.0548 0.0128 319 PRO B CG ? ? 1 +6839 C CD . PRO B 318 0.0558 0.7713 0.8257 -0.0436 -0.0591 0.0114 319 PRO B CD ? ? 1 +6840 C C . PRO B 318 0.0534 0.7510 0.8072 -0.0440 -0.0525 0.0177 319 PRO B C ? ? 1 +6841 O O . PRO B 318 0.0509 0.7455 0.8033 -0.0451 -0.0492 0.0198 319 PRO B O ? ? 1 +6842 N N . ALA B 319 0.0566 0.7514 0.8074 -0.0440 -0.0553 0.0160 320 ALA B N ? ? 1 +6843 C CA . ALA B 319 0.0586 0.7465 0.8043 -0.0453 -0.0543 0.0166 320 ALA B CA ? ? 1 +6844 C CB . ALA B 319 0.0627 0.7507 0.8103 -0.0476 -0.0566 0.0139 320 ALA B CB ? ? 1 +6845 C C . ALA B 319 0.0597 0.7418 0.7969 -0.0422 -0.0548 0.0177 320 ALA B C ? ? 1 +6846 O O . ALA B 319 0.0617 0.7386 0.7943 -0.0425 -0.0552 0.0174 320 ALA B O ? ? 1 +6847 N N . LYS B 320 0.0583 0.7414 0.7936 -0.0393 -0.0549 0.0189 321 LYS B N ? ? 1 +6848 C CA . LYS B 320 0.0612 0.7392 0.7887 -0.0365 -0.0554 0.0198 321 LYS B CA ? ? 1 +6849 C CB . LYS B 320 0.0640 0.7439 0.7901 -0.0334 -0.0588 0.0186 321 LYS B CB ? ? 1 +6850 C CG . LYS B 320 0.0692 0.7490 0.7943 -0.0332 -0.0627 0.0159 321 LYS B CG ? ? 1 +6851 C CD . LYS B 320 0.0736 0.7461 0.7913 -0.0332 -0.0627 0.0158 321 LYS B CD ? ? 1 +6852 C CE . LYS B 320 0.0747 0.7415 0.7845 -0.0308 -0.0611 0.0179 321 LYS B CE ? ? 1 +6853 N NZ . LYS B 320 0.0792 0.7394 0.7823 -0.0309 -0.0608 0.0176 321 LYS B NZ ? ? 1 +6854 C C . LYS B 320 0.0586 0.7344 0.7837 -0.0357 -0.0520 0.0225 321 LYS B C ? ? 1 +6855 O O . LYS B 320 0.0604 0.7323 0.7795 -0.0335 -0.0519 0.0234 321 LYS B O ? ? 1 +6856 N N . GLY B 321 0.0548 0.7327 0.7842 -0.0376 -0.0494 0.0237 322 GLY B N ? ? 1 +6857 C CA . GLY B 321 0.0525 0.7292 0.7803 -0.0369 -0.0467 0.0259 322 GLY B CA ? ? 1 +6858 C C . GLY B 321 0.0527 0.7247 0.7773 -0.0378 -0.0444 0.0272 322 GLY B C ? ? 1 +6859 O O . GLY B 321 0.0554 0.7242 0.7779 -0.0386 -0.0449 0.0264 322 GLY B O ? ? 1 +6860 N N . GLY B 322 0.0510 0.7227 0.7755 -0.0378 -0.0419 0.0290 323 GLY B N ? ? 1 +6861 C CA . GLY B 322 0.0514 0.7195 0.7738 -0.0385 -0.0399 0.0302 323 GLY B CA ? ? 1 +6862 C C . GLY B 322 0.0492 0.7188 0.7740 -0.0391 -0.0376 0.0318 323 GLY B C ? ? 1 +6863 O O . GLY B 322 0.0469 0.7192 0.7730 -0.0384 -0.0374 0.0323 323 GLY B O ? ? 1 +6864 N N . LEU B 323 0.0516 0.7190 0.7762 -0.0402 -0.0361 0.0325 324 LEU B N ? ? 1 +6865 C CA . LEU B 323 0.0518 0.7199 0.7779 -0.0409 -0.0341 0.0340 324 LEU B CA ? ? 1 +6866 C CB . LEU B 323 0.0539 0.7182 0.7785 -0.0416 -0.0329 0.0346 324 LEU B CB ? ? 1 +6867 C CG . LEU B 323 0.0541 0.7181 0.7795 -0.0422 -0.0311 0.0360 324 LEU B CG ? ? 1 +6868 C CD1 . LEU B 323 0.0547 0.7209 0.7837 -0.0441 -0.0305 0.0358 324 LEU B CD1 ? ? 1 +6869 C CD2 . LEU B 323 0.0570 0.7169 0.7804 -0.0423 -0.0304 0.0365 324 LEU B CD2 ? ? 1 +6870 C C . LEU B 323 0.0513 0.7201 0.7761 -0.0394 -0.0332 0.0352 324 LEU B C ? ? 1 +6871 O O . LEU B 323 0.0509 0.7217 0.7775 -0.0396 -0.0322 0.0360 324 LEU B O ? ? 1 +6872 N N . PHE B 324 0.0526 0.7195 0.7740 -0.0380 -0.0335 0.0353 325 PHE B N ? ? 1 +6873 C CA . PHE B 324 0.0523 0.7194 0.7723 -0.0369 -0.0327 0.0362 325 PHE B CA ? ? 1 +6874 C CB . PHE B 324 0.0529 0.7174 0.7705 -0.0365 -0.0318 0.0367 325 PHE B CB ? ? 1 +6875 C CG . PHE B 324 0.0527 0.7167 0.7715 -0.0372 -0.0309 0.0374 325 PHE B CG ? ? 1 +6876 C CD1 . PHE B 324 0.0519 0.7169 0.7717 -0.0373 -0.0300 0.0384 325 PHE B CD1 ? ? 1 +6877 C CD2 . PHE B 324 0.0551 0.7169 0.7735 -0.0377 -0.0309 0.0370 325 PHE B CD2 ? ? 1 +6878 C CE1 . PHE B 324 0.0529 0.7167 0.7729 -0.0377 -0.0292 0.0391 325 PHE B CE1 ? ? 1 +6879 C CE2 . PHE B 324 0.0559 0.7164 0.7748 -0.0380 -0.0301 0.0377 325 PHE B CE2 ? ? 1 +6880 C CZ . PHE B 324 0.0549 0.7163 0.7745 -0.0380 -0.0293 0.0388 325 PHE B CZ ? ? 1 +6881 C C . PHE B 324 0.0538 0.7215 0.7722 -0.0356 -0.0337 0.0358 325 PHE B C ? ? 1 +6882 O O . PHE B 324 0.0536 0.7206 0.7700 -0.0347 -0.0331 0.0364 325 PHE B O ? ? 1 +6883 N N . ARG B 325 0.0564 0.7252 0.7755 -0.0353 -0.0354 0.0347 326 ARG B N ? ? 1 +6884 C CA . ARG B 325 0.0587 0.7280 0.7763 -0.0337 -0.0366 0.0343 326 ARG B CA ? ? 1 +6885 C CB . ARG B 325 0.0600 0.7286 0.7763 -0.0331 -0.0388 0.0329 326 ARG B CB ? ? 1 +6886 C CG . ARG B 325 0.0608 0.7256 0.7736 -0.0333 -0.0388 0.0325 326 ARG B CG ? ? 1 +6887 C CD . ARG B 325 0.0639 0.7280 0.7750 -0.0325 -0.0412 0.0310 326 ARG B CD ? ? 1 +6888 N NE . ARG B 325 0.0658 0.7259 0.7730 -0.0325 -0.0413 0.0305 326 ARG B NE ? ? 1 +6889 C CZ . ARG B 325 0.0689 0.7279 0.7745 -0.0322 -0.0436 0.0290 326 ARG B CZ ? ? 1 +6890 N NH1 . ARG B 325 0.0695 0.7320 0.7782 -0.0320 -0.0460 0.0277 326 ARG B NH1 ? ? 1 +6891 N NH2 . ARG B 325 0.0718 0.7265 0.7727 -0.0319 -0.0434 0.0286 326 ARG B NH2 ? ? 1 +6892 C C . ARG B 325 0.0598 0.7330 0.7811 -0.0336 -0.0364 0.0344 326 ARG B C ? ? 1 +6893 O O . ARG B 325 0.0626 0.7388 0.7877 -0.0343 -0.0372 0.0335 326 ARG B O ? ? 1 +6894 N N . THR B 326 0.0620 0.7352 0.7824 -0.0328 -0.0353 0.0354 327 THR B N ? ? 1 +6895 C CA . THR B 326 0.0633 0.7398 0.7870 -0.0329 -0.0344 0.0357 327 THR B CA ? ? 1 +6896 C CB . THR B 326 0.0628 0.7378 0.7849 -0.0331 -0.0326 0.0370 327 THR B CB ? ? 1 +6897 O OG1 . THR B 326 0.0650 0.7375 0.7832 -0.0318 -0.0328 0.0372 327 THR B OG1 ? ? 1 +6898 C CG2 . THR B 326 0.0628 0.7360 0.7846 -0.0345 -0.0317 0.0376 327 THR B CG2 ? ? 1 +6899 C C . THR B 326 0.0636 0.7424 0.7879 -0.0310 -0.0356 0.0351 327 THR B C ? ? 1 +6900 O O . THR B 326 0.0662 0.7434 0.7876 -0.0294 -0.0371 0.0345 327 THR B O ? ? 1 +6901 N N . GLY B 327 0.0635 0.7458 0.7914 -0.0311 -0.0347 0.0351 328 GLY B N ? ? 1 +6902 C CA . GLY B 327 0.0658 0.7505 0.7945 -0.0290 -0.0353 0.0346 328 GLY B CA ? ? 1 +6903 C C . GLY B 327 0.0654 0.7538 0.7975 -0.0282 -0.0375 0.0330 328 GLY B C ? ? 1 +6904 O O . GLY B 327 0.0633 0.7530 0.7978 -0.0297 -0.0384 0.0321 328 GLY B O ? ? 1 +6905 N N . PRO B 328 0.0685 0.7586 0.8006 -0.0255 -0.0387 0.0323 329 PRO B N ? ? 1 +6906 C CA . PRO B 328 0.0705 0.7651 0.8064 -0.0244 -0.0412 0.0305 329 PRO B CA ? ? 1 +6907 C CB . PRO B 328 0.0715 0.7677 0.8073 -0.0213 -0.0414 0.0303 329 PRO B CB ? ? 1 +6908 C CG . PRO B 328 0.0730 0.7626 0.8016 -0.0203 -0.0403 0.0319 329 PRO B CG ? ? 1 +6909 C CD . PRO B 328 0.0701 0.7577 0.7983 -0.0234 -0.0380 0.0332 329 PRO B CD ? ? 1 +6910 C C . PRO B 328 0.0735 0.7652 0.8059 -0.0236 -0.0439 0.0297 329 PRO B C ? ? 1 +6911 O O . PRO B 328 0.0757 0.7617 0.8021 -0.0235 -0.0437 0.0307 329 PRO B O ? ? 1 +6912 N N . MET B 329 0.0743 0.7701 0.8104 -0.0230 -0.0465 0.0278 330 MET B N ? ? 1 +6913 C CA . MET B 329 0.0775 0.7708 0.8102 -0.0221 -0.0494 0.0268 330 MET B CA ? ? 1 +6914 C CB . MET B 329 0.0769 0.7764 0.8158 -0.0222 -0.0522 0.0244 330 MET B CB ? ? 1 +6915 C CG . MET B 329 0.0738 0.7763 0.8183 -0.0261 -0.0510 0.0239 330 MET B CG ? ? 1 +6916 S SD . MET B 329 0.0727 0.7842 0.8267 -0.0268 -0.0535 0.0208 330 MET B SD ? ? 1 +6917 C CE . MET B 329 0.0746 0.7830 0.8260 -0.0282 -0.0563 0.0194 330 MET B CE ? ? 1 +6918 C C . MET B 329 0.0826 0.7711 0.8082 -0.0186 -0.0508 0.0273 330 MET B C ? ? 1 +6919 O O . MET B 329 0.0865 0.7699 0.8061 -0.0180 -0.0520 0.0274 330 MET B O ? ? 1 +6920 N N . ASN B 330 0.0835 0.7734 0.8094 -0.0162 -0.0504 0.0276 331 ASN B N ? ? 1 +6921 C CA . ASN B 330 0.0885 0.7735 0.8075 -0.0127 -0.0514 0.0281 331 ASN B CA ? ? 1 +6922 C CB . ASN B 330 0.0856 0.7737 0.8070 -0.0104 -0.0508 0.0282 331 ASN B CB ? ? 1 +6923 C CG . ASN B 330 0.0827 0.7785 0.8109 -0.0084 -0.0533 0.0261 331 ASN B CG ? ? 1 +6924 O OD1 . ASN B 330 0.0815 0.7798 0.8116 -0.0081 -0.0562 0.0245 331 ASN B OD1 ? ? 1 +6925 N ND2 . ASN B 330 0.0798 0.7794 0.8114 -0.0069 -0.0523 0.0259 331 ASN B ND2 ? ? 1 +6926 C C . ASN B 330 0.0942 0.7714 0.8058 -0.0136 -0.0493 0.0299 331 ASN B C ? ? 1 +6927 O O . ASN B 330 0.1003 0.7717 0.8047 -0.0114 -0.0502 0.0304 331 ASN B O ? ? 1 +6928 N N . LYS B 331 0.0943 0.7715 0.8077 -0.0168 -0.0466 0.0309 332 LYS B N ? ? 1 +6929 C CA . LYS B 331 0.0996 0.7706 0.8073 -0.0180 -0.0446 0.0324 332 LYS B CA ? ? 1 +6930 C CB . LYS B 331 0.0977 0.7704 0.8089 -0.0208 -0.0419 0.0333 332 LYS B CB ? ? 1 +6931 C CG . LYS B 331 0.1027 0.7705 0.8097 -0.0222 -0.0398 0.0345 332 LYS B CG ? ? 1 +6932 C CD . LYS B 331 0.1080 0.7711 0.8094 -0.0207 -0.0391 0.0353 332 LYS B CD ? ? 1 +6933 C CE . LYS B 331 0.1094 0.7686 0.8078 -0.0226 -0.0370 0.0362 332 LYS B CE ? ? 1 +6934 N NZ . LYS B 331 0.1166 0.7698 0.8083 -0.0214 -0.0367 0.0366 332 LYS B NZ ? ? 1 +6935 C C . LYS B 331 0.1033 0.7703 0.8068 -0.0185 -0.0456 0.0321 332 LYS B C ? ? 1 +6936 O O . LYS B 331 0.1112 0.7725 0.8089 -0.0187 -0.0444 0.0330 332 LYS B O ? ? 1 +6937 N N . GLY B 332 0.1020 0.7719 0.8083 -0.0187 -0.0478 0.0307 333 GLY B N ? ? 1 +6938 C CA . GLY B 332 0.1040 0.7700 0.8061 -0.0190 -0.0489 0.0302 333 GLY B CA ? ? 1 +6939 C C . GLY B 332 0.1108 0.7733 0.8069 -0.0158 -0.0517 0.0295 333 GLY B C ? ? 1 +6940 O O . GLY B 332 0.1132 0.7693 0.8020 -0.0146 -0.0509 0.0305 333 GLY B O ? ? 1 +6941 N N . ASP B 333 0.1131 0.7798 0.8124 -0.0144 -0.0550 0.0278 334 ASP B N ? ? 1 +6942 C CA . ASP B 333 0.1198 0.7834 0.8134 -0.0109 -0.0582 0.0269 334 ASP B CA ? ? 1 +6943 C CB . ASP B 333 0.1208 0.7894 0.8187 -0.0106 -0.0620 0.0245 334 ASP B CB ? ? 1 +6944 C CG . ASP B 333 0.1151 0.7929 0.8236 -0.0118 -0.0626 0.0232 334 ASP B CG ? ? 1 +6945 O OD1 . ASP B 333 0.1095 0.7901 0.8220 -0.0128 -0.0600 0.0242 334 ASP B OD1 ? ? 1 +6946 O OD2 . ASP B 333 0.1157 0.7978 0.8282 -0.0121 -0.0655 0.0211 334 ASP B OD2 ? ? 1 +6947 C C . ASP B 333 0.1226 0.7849 0.8134 -0.0075 -0.0588 0.0274 334 ASP B C ? ? 1 +6948 O O . ASP B 333 0.1291 0.7869 0.8131 -0.0042 -0.0611 0.0272 334 ASP B O ? ? 1 +6949 N N . GLY B 334 0.1193 0.7850 0.8147 -0.0080 -0.0567 0.0282 335 GLY B N ? ? 1 +6950 C CA . GLY B 334 0.1251 0.7899 0.8184 -0.0048 -0.0570 0.0286 335 GLY B CA ? ? 1 +6951 C C . GLY B 334 0.1250 0.7982 0.8261 -0.0030 -0.0590 0.0270 335 GLY B C ? ? 1 +6952 O O . GLY B 334 0.1182 0.7982 0.8269 -0.0048 -0.0600 0.0256 335 GLY B O ? ? 1 +6953 N N . ILE B 335 0.1317 0.8041 0.8309 0.0005 -0.0595 0.0272 336 ILE B N ? ? 1 +6954 C CA . ILE B 335 0.1362 0.8163 0.8423 0.0029 -0.0614 0.0256 336 ILE B CA ? ? 1 +6955 C CB . ILE B 335 0.1367 0.8157 0.8417 0.0051 -0.0595 0.0266 336 ILE B CB ? ? 1 +6956 C CG1 . ILE B 335 0.1322 0.8094 0.8376 0.0014 -0.0551 0.0283 336 ILE B CG1 ? ? 1 +6957 C CG2 . ILE B 335 0.1338 0.8218 0.8470 0.0075 -0.0610 0.0248 336 ILE B CG2 ? ? 1 +6958 C CD1 . ILE B 335 0.1361 0.8089 0.8370 0.0033 -0.0532 0.0295 336 ILE B CD1 ? ? 1 +6959 C C . ILE B 335 0.1448 0.8254 0.8489 0.0068 -0.0661 0.0239 336 ILE B C ? ? 1 +6960 O O . ILE B 335 0.1536 0.8276 0.8493 0.0105 -0.0675 0.0244 336 ILE B O ? ? 1 +6961 N N . ALA B 336 0.1475 0.8356 0.8590 0.0060 -0.0686 0.0217 337 ALA B N ? ? 1 +6962 C CA . ALA B 336 0.1588 0.8483 0.8692 0.0096 -0.0736 0.0197 337 ALA B CA ? ? 1 +6963 C CB . ALA B 336 0.1566 0.8557 0.8772 0.0075 -0.0758 0.0172 337 ALA B CB ? ? 1 +6964 C C . ALA B 336 0.1652 0.8555 0.8744 0.0150 -0.0756 0.0193 337 ALA B C ? ? 1 +6965 O O . ALA B 336 0.1580 0.8539 0.8736 0.0154 -0.0739 0.0191 337 ALA B O ? ? 1 +6966 N N . GLN B 337 0.1795 0.8636 0.8798 0.0194 -0.0789 0.0191 338 GLN B N ? ? 1 +6967 C CA . GLN B 337 0.1913 0.8742 0.8885 0.0252 -0.0810 0.0189 338 GLN B CA ? ? 1 +6968 C CB . GLN B 337 0.2078 0.8774 0.8908 0.0276 -0.0802 0.0211 338 GLN B CB ? ? 1 +6969 C CG . GLN B 337 0.2162 0.8797 0.8956 0.0239 -0.0747 0.0238 338 GLN B CG ? ? 1 +6970 C CD . GLN B 337 0.2218 0.8888 0.9059 0.0244 -0.0722 0.0242 338 GLN B CD ? ? 1 +6971 O OE1 . GLN B 337 0.2404 0.9057 0.9215 0.0292 -0.0735 0.0241 338 GLN B OE1 ? ? 1 +6972 N NE2 . GLN B 337 0.2176 0.8894 0.9089 0.0199 -0.0686 0.0247 338 GLN B NE2 ? ? 1 +6973 C C . GLN B 337 0.1956 0.8844 0.8959 0.0293 -0.0869 0.0160 338 GLN B C ? ? 1 +6974 O O . GLN B 337 0.1926 0.8879 0.8985 0.0329 -0.0886 0.0146 338 GLN B O ? ? 1 +6975 N N . ALA B 338 0.1993 0.8856 0.8958 0.0290 -0.0899 0.0151 339 ALA B N ? ? 1 +6976 C CA . ALA B 338 0.2062 0.8961 0.9032 0.0333 -0.0960 0.0124 339 ALA B CA ? ? 1 +6977 C CB . ALA B 338 0.2163 0.8968 0.9011 0.0396 -0.0983 0.0134 339 ALA B CB ? ? 1 +6978 C C . ALA B 338 0.2097 0.8993 0.9059 0.0309 -0.0985 0.0111 339 ALA B C ? ? 1 +6979 O O . ALA B 338 0.2086 0.8908 0.8983 0.0276 -0.0959 0.0128 339 ALA B O ? ? 1 +6980 N N . TRP B 339 0.2125 0.9107 0.9157 0.0324 -0.1035 0.0078 340 TRP B N ? ? 1 +6981 C CA . TRP B 339 0.2192 0.9165 0.9201 0.0313 -0.1071 0.0061 340 TRP B CA ? ? 1 +6982 C CB . TRP B 339 0.2119 0.9223 0.9254 0.0314 -0.1117 0.0021 340 TRP B CB ? ? 1 +6983 C CG . TRP B 339 0.2103 0.9209 0.9230 0.0297 -0.1154 -0.0002 340 TRP B CG ? ? 1 +6984 C CD1 . TRP B 339 0.2085 0.9126 0.9161 0.0254 -0.1133 0.0009 340 TRP B CD1 ? ? 1 +6985 N NE1 . TRP B 339 0.2111 0.9175 0.9195 0.0251 -0.1181 -0.0021 340 TRP B NE1 ? ? 1 +6986 C CE2 . TRP B 339 0.2133 0.9283 0.9280 0.0291 -0.1236 -0.0052 340 TRP B CE2 ? ? 1 +6987 C CZ2 . TRP B 339 0.2186 0.9392 0.9367 0.0303 -0.1300 -0.0091 340 TRP B CZ2 ? ? 1 +6988 C CH2 . TRP B 339 0.2210 0.9512 0.9465 0.0347 -0.1348 -0.0119 340 TRP B CH2 ? ? 1 +6989 C CZ3 . TRP B 339 0.2171 0.9508 0.9461 0.0381 -0.1332 -0.0108 340 TRP B CZ3 ? ? 1 +6990 C CE3 . TRP B 339 0.2158 0.9432 0.9407 0.0368 -0.1268 -0.0069 340 TRP B CE3 ? ? 1 +6991 C CD2 . TRP B 339 0.2125 0.9306 0.9303 0.0322 -0.1220 -0.0041 340 TRP B CD2 ? ? 1 +6992 C C . TRP B 339 0.2403 0.9261 0.9261 0.0364 -0.1102 0.0069 340 TRP B C ? ? 1 +6993 O O . TRP B 339 0.2542 0.9389 0.9364 0.0423 -0.1132 0.0066 340 TRP B O ? ? 1 +6994 N N . LYS B 340 0.2485 0.9251 0.9250 0.0343 -0.1092 0.0081 341 LYS B N ? ? 1 +6995 C CA . LYS B 340 0.2621 0.9273 0.9236 0.0389 -0.1120 0.0088 341 LYS B CA ? ? 1 +6996 C CB . LYS B 340 0.2713 0.9256 0.9228 0.0355 -0.1082 0.0111 341 LYS B CB ? ? 1 +6997 C CG . LYS B 340 0.2803 0.9282 0.9279 0.0337 -0.1019 0.0145 341 LYS B CG ? ? 1 +6998 C CD . LYS B 340 0.2977 0.9334 0.9331 0.0317 -0.0986 0.0168 341 LYS B CD ? ? 1 +6999 C CE . LYS B 340 0.3080 0.9365 0.9381 0.0308 -0.0931 0.0200 341 LYS B CE ? ? 1 +7000 N NZ . LYS B 340 0.3254 0.9506 0.9507 0.0363 -0.0946 0.0206 341 LYS B NZ ? ? 1 +7001 C C . LYS B 340 0.2606 0.9293 0.9220 0.0426 -0.1193 0.0055 341 LYS B C ? ? 1 +7002 O O . LYS B 340 0.2711 0.9325 0.9215 0.0482 -0.1229 0.0055 341 LYS B O ? ? 1 +7003 N N . GLY B 341 0.2459 0.9256 0.9194 0.0395 -0.1214 0.0025 342 GLY B N ? ? 1 +7004 C CA . GLY B 341 0.2456 0.9297 0.9203 0.0421 -0.1284 -0.0011 342 GLY B CA ? ? 1 +7005 C C . GLY B 341 0.2373 0.9198 0.9113 0.0373 -0.1284 -0.0021 342 GLY B C ? ? 1 +7006 O O . GLY B 341 0.2347 0.9108 0.9047 0.0330 -0.1232 0.0003 342 GLY B O ? ? 1 +7007 N N . HIS B 342 0.2317 0.9204 0.9100 0.0381 -0.1344 -0.0059 343 HIS B N ? ? 1 +7008 C CA . HIS B 342 0.2296 0.9169 0.9071 0.0339 -0.1352 -0.0074 343 HIS B CA ? ? 1 +7009 C CB . HIS B 342 0.2282 0.9271 0.9167 0.0335 -0.1412 -0.0121 343 HIS B CB ? ? 1 +7010 C CG . HIS B 342 0.2266 0.9247 0.9155 0.0288 -0.1419 -0.0140 343 HIS B CG ? ? 1 +7011 N ND1 . HIS B 342 0.2166 0.9180 0.9136 0.0218 -0.1369 -0.0135 343 HIS B ND1 ? ? 1 +7012 C CE1 . HIS B 342 0.2200 0.9192 0.9148 0.0193 -0.1392 -0.0155 343 HIS B CE1 ? ? 1 +7013 N NE2 . HIS B 342 0.2310 0.9260 0.9167 0.0242 -0.1454 -0.0174 343 HIS B NE2 ? ? 1 +7014 C CD2 . HIS B 342 0.2353 0.9295 0.9172 0.0303 -0.1472 -0.0164 343 HIS B CD2 ? ? 1 +7015 C C . HIS B 342 0.2421 0.9153 0.9020 0.0368 -0.1366 -0.0062 343 HIS B C ? ? 1 +7016 O O . HIS B 342 0.2540 0.9234 0.9057 0.0429 -0.1418 -0.0071 343 HIS B O ? ? 1 +7017 N N . ALA B 343 0.2389 0.9044 0.8931 0.0325 -0.1320 -0.0043 344 ALA B N ? ? 1 +7018 C CA . ALA B 343 0.2477 0.8996 0.8855 0.0343 -0.1321 -0.0030 344 ALA B CA ? ? 1 +7019 C CB . ALA B 343 0.2440 0.8885 0.8774 0.0298 -0.1246 0.0004 344 ALA B CB ? ? 1 +7020 C C . ALA B 343 0.2544 0.9072 0.8910 0.0339 -0.1375 -0.0065 344 ALA B C ? ? 1 +7021 O O . ALA B 343 0.2516 0.9115 0.8982 0.0290 -0.1372 -0.0085 344 ALA B O ? ? 1 +7022 N N . VAL B 344 0.2670 0.9122 0.8910 0.0393 -0.1424 -0.0073 345 VAL B N ? ? 1 +7023 C CA . VAL B 344 0.2753 0.9193 0.8956 0.0395 -0.1477 -0.0106 345 VAL B CA ? ? 1 +7024 C CB . VAL B 344 0.2783 0.9291 0.9013 0.0448 -0.1566 -0.0144 345 VAL B CB ? ? 1 +7025 C CG1 . VAL B 344 0.2873 0.9341 0.9028 0.0458 -0.1623 -0.0175 345 VAL B CG1 ? ? 1 +7026 C CG2 . VAL B 344 0.2663 0.9339 0.9090 0.0424 -0.1580 -0.0170 345 VAL B CG2 ? ? 1 +7027 C C . VAL B 344 0.2901 0.9183 0.8919 0.0410 -0.1457 -0.0083 345 VAL B C ? ? 1 +7028 O O . VAL B 344 0.2987 0.9177 0.8883 0.0459 -0.1456 -0.0061 345 VAL B O ? ? 1 +7029 N N . PHE B 345 0.2966 0.9214 0.8963 0.0368 -0.1440 -0.0089 346 PHE B N ? ? 1 +7030 C CA . PHE B 345 0.3119 0.9223 0.8950 0.0376 -0.1414 -0.0070 346 PHE B CA ? ? 1 +7031 C CB . PHE B 345 0.3034 0.9118 0.8890 0.0312 -0.1344 -0.0053 346 PHE B CB ? ? 1 +7032 C CG . PHE B 345 0.2895 0.9005 0.8819 0.0284 -0.1276 -0.0020 346 PHE B CG ? ? 1 +7033 C CD1 . PHE B 345 0.2749 0.8985 0.8839 0.0252 -0.1269 -0.0028 346 PHE B CD1 ? ? 1 +7034 C CD2 . PHE B 345 0.2923 0.8932 0.8744 0.0291 -0.1220 0.0018 346 PHE B CD2 ? ? 1 +7035 C CE1 . PHE B 345 0.2665 0.8922 0.8811 0.0229 -0.1210 0.0002 346 PHE B CE1 ? ? 1 +7036 C CE2 . PHE B 345 0.2828 0.8861 0.8712 0.0266 -0.1162 0.0046 346 PHE B CE2 ? ? 1 +7037 C CZ . PHE B 345 0.2705 0.8862 0.8749 0.0236 -0.1158 0.0038 346 PHE B CZ ? ? 1 +7038 C C . PHE B 345 0.3316 0.9382 0.9063 0.0405 -0.1483 -0.0103 346 PHE B C ? ? 1 +7039 O O . PHE B 345 0.3304 0.9455 0.9143 0.0384 -0.1525 -0.0140 346 PHE B O ? ? 1 +7040 N N A ARG B 346 0.3507 0.9442 0.9076 0.0453 -0.1493 -0.0089 347 ARG B N ? ? 1 +7041 N N B ARG B 346 0.3520 0.9456 0.9090 0.0454 -0.1494 -0.0090 347 ARG B N ? ? 1 +7042 C CA A ARG B 346 0.3694 0.9568 0.9152 0.0484 -0.1552 -0.0116 347 ARG B CA ? ? 1 +7043 C CA B ARG B 346 0.3719 0.9593 0.9178 0.0484 -0.1552 -0.0117 347 ARG B CA ? ? 1 +7044 C C A ARG B 346 0.3877 0.9593 0.9160 0.0485 -0.1504 -0.0089 347 ARG B C ? ? 1 +7045 C C B ARG B 346 0.3892 0.9607 0.9174 0.0486 -0.1505 -0.0090 347 ARG B C ? ? 1 +7046 O O A ARG B 346 0.3890 0.9537 0.9116 0.0484 -0.1441 -0.0050 347 ARG B O ? ? 1 +7047 O O B ARG B 346 0.3903 0.9550 0.9129 0.0484 -0.1441 -0.0050 347 ARG B O ? ? 1 +7048 C CB A ARG B 346 0.3778 0.9650 0.9181 0.0559 -0.1628 -0.0131 347 ARG B CB ? ? 1 +7049 C CB B ARG B 346 0.3818 0.9699 0.9231 0.0557 -0.1633 -0.0135 347 ARG B CB ? ? 1 +7050 C CG A ARG B 346 0.3668 0.9697 0.9243 0.0564 -0.1671 -0.0155 347 ARG B CG ? ? 1 +7051 C CG B ARG B 346 0.3729 0.9777 0.9323 0.0556 -0.1686 -0.0169 347 ARG B CG ? ? 1 +7052 C CD A ARG B 346 0.3752 0.9777 0.9270 0.0644 -0.1745 -0.0168 347 ARG B CD ? ? 1 +7053 C CD B ARG B 346 0.3826 0.9891 0.9382 0.0630 -0.1775 -0.0195 347 ARG B CD ? ? 1 +7054 N NE A ARG B 346 0.3636 0.9824 0.9330 0.0647 -0.1789 -0.0198 347 ARG B NE ? ? 1 +7055 N NE B ARG B 346 0.3726 0.9950 0.9459 0.0633 -0.1806 -0.0216 347 ARG B NE ? ? 1 +7056 C CZ A ARG B 346 0.3585 0.9824 0.9338 0.0675 -0.1785 -0.0185 347 ARG B CZ ? ? 1 +7057 C CZ B ARG B 346 0.3728 1.0073 0.9576 0.0632 -0.1875 -0.0264 347 ARG B CZ ? ? 1 +7058 N NH1 A ARG B 346 0.3612 0.9752 0.9263 0.0702 -0.1739 -0.0143 347 ARG B NH1 ? ? 1 +7059 N NH1 B ARG B 346 0.3777 1.0115 0.9600 0.0619 -0.1919 -0.0298 347 ARG B NH1 ? ? 1 +7060 N NH2 A ARG B 346 0.3523 0.9917 0.9442 0.0677 -0.1826 -0.0217 347 ARG B NH2 ? ? 1 +7061 N NH2 B ARG B 346 0.3649 1.0128 0.9642 0.0645 -0.1900 -0.0280 347 ARG B NH2 ? ? 1 +7062 N N . ASN B 347 0.4062 0.9723 0.9263 0.0487 -0.1534 -0.0113 348 ASN B N ? ? 1 +7063 C CA . ASN B 347 0.4300 0.9807 0.9320 0.0496 -0.1498 -0.0093 348 ASN B CA ? ? 1 +7064 C CB . ASN B 347 0.4281 0.9778 0.9304 0.0453 -0.1491 -0.0115 348 ASN B CB ? ? 1 +7065 C CG . ASN B 347 0.4318 0.9856 0.9350 0.0470 -0.1579 -0.0164 348 ASN B CG ? ? 1 +7066 O OD1 . ASN B 347 0.4415 0.9970 0.9424 0.0521 -0.1650 -0.0182 348 ASN B OD1 ? ? 1 +7067 N ND2 . ASN B 347 0.4290 0.9844 0.9357 0.0428 -0.1579 -0.0188 348 ASN B ND2 ? ? 1 +7068 C C . ASN B 347 0.4692 1.0099 0.9544 0.0570 -0.1554 -0.0096 348 ASN B C ? ? 1 +7069 O O . ASN B 347 0.4731 1.0194 0.9615 0.0613 -0.1621 -0.0114 348 ASN B O ? ? 1 +7070 N N . LYS B 348 0.5069 1.0325 0.9738 0.0585 -0.1526 -0.0080 349 LYS B N ? ? 1 +7071 C CA . LYS B 348 0.5492 1.0628 0.9975 0.0655 -0.1570 -0.0077 349 LYS B CA ? ? 1 +7072 C CB . LYS B 348 0.5810 1.0778 1.0104 0.0655 -0.1510 -0.0051 349 LYS B CB ? ? 1 +7073 C CG . LYS B 348 0.5963 1.0927 1.0267 0.0607 -0.1488 -0.0069 349 LYS B CG ? ? 1 +7074 C CD . LYS B 348 0.6252 1.1056 1.0368 0.0613 -0.1439 -0.0051 349 LYS B CD ? ? 1 +7075 C CE . LYS B 348 0.6381 1.1117 1.0456 0.0594 -0.1343 -0.0003 349 LYS B CE ? ? 1 +7076 N NZ . LYS B 348 0.6701 1.1273 1.0578 0.0606 -0.1297 0.0014 349 LYS B NZ ? ? 1 +7077 C C . LYS B 348 0.5655 1.0824 1.0124 0.0693 -0.1673 -0.0125 349 LYS B C ? ? 1 +7078 O O . LYS B 348 0.5767 1.0889 1.0137 0.0759 -0.1731 -0.0130 349 LYS B O ? ? 1 +7079 N N . GLU B 349 0.5762 1.1011 1.0329 0.0652 -0.1697 -0.0161 350 GLU B N ? ? 1 +7080 C CA . GLU B 349 0.5969 1.1276 1.0558 0.0678 -0.1797 -0.0212 350 GLU B CA ? ? 1 +7081 C CB . GLU B 349 0.6363 1.1717 1.1025 0.0621 -0.1801 -0.0246 350 GLU B CB ? ? 1 +7082 C CG . GLU B 349 0.6980 1.2199 1.1463 0.0634 -0.1810 -0.0256 350 GLU B CG ? ? 1 +7083 C CD . GLU B 349 0.7816 1.2896 1.2165 0.0621 -0.1717 -0.0213 350 GLU B CD ? ? 1 +7084 O OE1 . GLU B 349 0.8163 1.3262 1.2580 0.0586 -0.1637 -0.0177 350 GLU B OE1 ? ? 1 +7085 O OE2 . GLU B 349 0.8597 1.3546 1.2768 0.0647 -0.1724 -0.0216 350 GLU B OE2 ? ? 1 +7086 C C . GLU B 349 0.5616 1.1073 1.0364 0.0694 -0.1857 -0.0234 350 GLU B C ? ? 1 +7087 O O . GLU B 349 0.5708 1.1219 1.0476 0.0724 -0.1945 -0.0276 350 GLU B O ? ? 1 +7088 N N . GLY B 350 0.5289 1.0820 1.0158 0.0673 -0.1808 -0.0208 351 GLY B N ? ? 1 +7089 C CA . GLY B 350 0.5026 1.0710 1.0063 0.0680 -0.1853 -0.0228 351 GLY B CA ? ? 1 +7090 C C . GLY B 350 0.4768 1.0608 1.0017 0.0613 -0.1851 -0.0257 351 GLY B C ? ? 1 +7091 O O . GLY B 350 0.4694 1.0667 1.0094 0.0614 -0.1881 -0.0274 351 GLY B O ? ? 1 +7092 N N A GLU B 351 0.4670 1.0487 0.9925 0.0556 -0.1813 -0.0261 352 GLU B N ? ? 1 +7093 N N B GLU B 351 0.4680 1.0498 0.9935 0.0556 -0.1815 -0.0262 352 GLU B N ? ? 1 +7094 C CA A GLU B 351 0.4486 1.0432 0.9926 0.0488 -0.1802 -0.0284 352 GLU B CA ? ? 1 +7095 C CA B GLU B 351 0.4503 1.0448 0.9942 0.0488 -0.1802 -0.0284 352 GLU B CA ? ? 1 +7096 C C A GLU B 351 0.4265 1.0288 0.9838 0.0453 -0.1736 -0.0254 352 GLU B C ? ? 1 +7097 C C B GLU B 351 0.4274 1.0296 0.9847 0.0453 -0.1736 -0.0254 352 GLU B C ? ? 1 +7098 O O A GLU B 351 0.4278 1.0223 0.9785 0.0451 -0.1666 -0.0210 352 GLU B O ? ? 1 +7099 O O B GLU B 351 0.4285 1.0230 0.9793 0.0451 -0.1666 -0.0210 352 GLU B O ? ? 1 +7100 C CB A GLU B 351 0.4522 1.0406 0.9921 0.0438 -0.1765 -0.0288 352 GLU B CB ? ? 1 +7101 C CB B GLU B 351 0.4555 1.0437 0.9952 0.0438 -0.1765 -0.0288 352 GLU B CB ? ? 1 +7102 C CG A GLU B 351 0.4748 1.0518 0.9978 0.0469 -0.1809 -0.0308 352 GLU B CG ? ? 1 +7103 C CG B GLU B 351 0.4679 1.0596 1.0100 0.0424 -0.1833 -0.0341 352 GLU B CG ? ? 1 +7104 C CD A GLU B 351 0.4791 1.0512 0.9997 0.0418 -0.1772 -0.0316 352 GLU B CD ? ? 1 +7105 C CD B GLU B 351 0.4604 1.0641 1.0209 0.0352 -0.1819 -0.0365 352 GLU B CD ? ? 1 +7106 O OE1 A GLU B 351 0.4737 1.0550 1.0071 0.0372 -0.1793 -0.0350 352 GLU B OE1 ? ? 1 +7107 O OE1 B GLU B 351 0.4581 1.0573 1.0166 0.0308 -0.1787 -0.0369 352 GLU B OE1 ? ? 1 +7108 O OE2 A GLU B 351 0.4904 1.0494 0.9967 0.0423 -0.1720 -0.0288 352 GLU B OE2 ? ? 1 +7109 O OE2 B GLU B 351 0.4639 1.0812 1.0405 0.0340 -0.1841 -0.0380 352 GLU B OE2 ? ? 1 +7110 N N . GLU B 352 0.4085 1.0259 0.9844 0.0426 -0.1758 -0.0279 353 GLU B N ? ? 1 +7111 C CA . GLU B 352 0.3841 1.0096 0.9736 0.0387 -0.1697 -0.0254 353 GLU B CA ? ? 1 +7112 C CB . GLU B 352 0.3758 1.0179 0.9838 0.0377 -0.1739 -0.0286 353 GLU B CB ? ? 1 +7113 C CG . GLU B 352 0.3664 1.0159 0.9868 0.0347 -0.1676 -0.0259 353 GLU B CG ? ? 1 +7114 C CD . GLU B 352 0.3628 1.0282 1.0006 0.0347 -0.1711 -0.0285 353 GLU B CD ? ? 1 +7115 O OE1 . GLU B 352 0.3637 1.0358 1.0053 0.0370 -0.1789 -0.0329 353 GLU B OE1 ? ? 1 +7116 O OE2 . GLU B 352 0.3565 1.0279 1.0042 0.0322 -0.1660 -0.0263 353 GLU B OE2 ? ? 1 +7117 C C . GLU B 352 0.3665 0.9900 0.9592 0.0318 -0.1626 -0.0240 353 GLU B C ? ? 1 +7118 O O . GLU B 352 0.3694 0.9932 0.9633 0.0285 -0.1643 -0.0268 353 GLU B O ? ? 1 +7119 N N . LEU B 353 0.3436 0.9649 0.9374 0.0298 -0.1549 -0.0198 354 LEU B N ? ? 1 +7120 C CA . LEU B 353 0.3286 0.9476 0.9248 0.0239 -0.1479 -0.0180 354 LEU B CA ? ? 1 +7121 C CB . LEU B 353 0.3326 0.9378 0.9137 0.0250 -0.1421 -0.0140 354 LEU B CB ? ? 1 +7122 C CG . LEU B 353 0.3485 0.9414 0.9118 0.0290 -0.1450 -0.0147 354 LEU B CG ? ? 1 +7123 C CD1 . LEU B 353 0.3537 0.9339 0.9043 0.0288 -0.1378 -0.0107 354 LEU B CD1 ? ? 1 +7124 C CD2 . LEU B 353 0.3516 0.9450 0.9150 0.0270 -0.1493 -0.0188 354 LEU B CD2 ? ? 1 +7125 C C . LEU B 353 0.3078 0.9372 0.9199 0.0198 -0.1434 -0.0165 354 LEU B C ? ? 1 +7126 O O . LEU B 353 0.3082 0.9423 0.9245 0.0223 -0.1435 -0.0153 354 LEU B O ? ? 1 +7127 N N . PHE B 354 0.2912 0.9235 0.9111 0.0139 -0.1395 -0.0167 355 PHE B N ? ? 1 +7128 C CA . PHE B 354 0.2697 0.9116 0.9044 0.0097 -0.1353 -0.0156 355 PHE B CA ? ? 1 +7129 C CB . PHE B 354 0.2631 0.9158 0.9116 0.0057 -0.1386 -0.0196 355 PHE B CB ? ? 1 +7130 C CG . PHE B 354 0.2691 0.9283 0.9204 0.0091 -0.1470 -0.0236 355 PHE B CG ? ? 1 +7131 C CD1 . PHE B 354 0.2805 0.9348 0.9233 0.0111 -0.1527 -0.0266 355 PHE B CD1 ? ? 1 +7132 C CD2 . PHE B 354 0.2624 0.9321 0.9241 0.0109 -0.1492 -0.0243 355 PHE B CD2 ? ? 1 +7133 C CE1 . PHE B 354 0.2865 0.9472 0.9321 0.0144 -0.1607 -0.0306 355 PHE B CE1 ? ? 1 +7134 C CE2 . PHE B 354 0.2676 0.9438 0.9323 0.0144 -0.1570 -0.0281 355 PHE B CE2 ? ? 1 +7135 C CZ . PHE B 354 0.2789 0.9507 0.9357 0.0161 -0.1629 -0.0313 355 PHE B CZ ? ? 1 +7136 C C . PHE B 354 0.2610 0.8971 0.8934 0.0061 -0.1274 -0.0121 355 PHE B C ? ? 1 +7137 O O . PHE B 354 0.2635 0.8935 0.8907 0.0038 -0.1257 -0.0125 355 PHE B O ? ? 1 +7138 N N . VAL B 355 0.2494 0.8872 0.8855 0.0058 -0.1226 -0.0089 356 VAL B N ? ? 1 +7139 C CA . VAL B 355 0.2374 0.8715 0.8733 0.0024 -0.1152 -0.0056 356 VAL B CA ? ? 1 +7140 C CB . VAL B 355 0.2315 0.8658 0.8679 0.0039 -0.1114 -0.0022 356 VAL B CB ? ? 1 +7141 C CG1 . VAL B 355 0.2272 0.8585 0.8643 0.0004 -0.1041 0.0009 356 VAL B CG1 ? ? 1 +7142 C CG2 . VAL B 355 0.2416 0.8678 0.8651 0.0095 -0.1131 -0.0009 356 VAL B CG2 ? ? 1 +7143 C C . VAL B 355 0.2265 0.8680 0.8751 -0.0032 -0.1133 -0.0068 356 VAL B C ? ? 1 +7144 O O . VAL B 355 0.2276 0.8793 0.8882 -0.0046 -0.1150 -0.0082 356 VAL B O ? ? 1 +7145 N N A ARG B 356 0.2227 0.8589 0.8683 -0.0064 -0.1097 -0.0062 357 ARG B N ? ? 1 +7146 N N B ARG B 356 0.2241 0.8603 0.8698 -0.0064 -0.1097 -0.0062 357 ARG B N ? ? 1 +7147 C CA A ARG B 356 0.2117 0.8532 0.8678 -0.0117 -0.1073 -0.0069 357 ARG B CA ? ? 1 +7148 C CA B ARG B 356 0.2143 0.8559 0.8705 -0.0116 -0.1074 -0.0069 357 ARG B CA ? ? 1 +7149 C C A ARG B 356 0.2011 0.8470 0.8648 -0.0134 -0.1020 -0.0038 357 ARG B C ? ? 1 +7150 C C B ARG B 356 0.2026 0.8484 0.8662 -0.0134 -0.1021 -0.0038 357 ARG B C ? ? 1 +7151 O O A ARG B 356 0.2034 0.8438 0.8615 -0.0126 -0.0976 -0.0007 357 ARG B O ? ? 1 +7152 O O B ARG B 356 0.2048 0.8453 0.8629 -0.0126 -0.0976 -0.0007 357 ARG B O ? ? 1 +7153 C CB A ARG B 356 0.2136 0.8473 0.8633 -0.0139 -0.1048 -0.0070 357 ARG B CB ? ? 1 +7154 C CB B ARG B 356 0.2182 0.8524 0.8684 -0.0139 -0.1052 -0.0072 357 ARG B CB ? ? 1 +7155 C CG A ARG B 356 0.2054 0.8431 0.8646 -0.0192 -0.1024 -0.0077 357 ARG B CG ? ? 1 +7156 C CG B ARG B 356 0.2162 0.8553 0.8751 -0.0182 -0.1066 -0.0101 357 ARG B CG ? ? 1 +7157 C CD A ARG B 356 0.2032 0.8493 0.8725 -0.0214 -0.1070 -0.0114 357 ARG B CD ? ? 1 +7158 C CD B ARG B 356 0.2128 0.8487 0.8730 -0.0219 -0.1010 -0.0084 357 ARG B CD ? ? 1 +7159 N NE A ARG B 356 0.1981 0.8460 0.8744 -0.0265 -0.1049 -0.0124 357 ARG B NE ? ? 1 +7160 N NE B ARG B 356 0.2081 0.8504 0.8794 -0.0265 -0.1011 -0.0103 357 ARG B NE ? ? 1 +7161 C CZ A ARG B 356 0.1882 0.8398 0.8725 -0.0297 -0.1002 -0.0104 357 ARG B CZ ? ? 1 +7162 C CZ B ARG B 356 0.2127 0.8541 0.8846 -0.0288 -0.1039 -0.0135 357 ARG B CZ ? ? 1 +7163 N NH1 A ARG B 356 0.1821 0.8373 0.8699 -0.0286 -0.0974 -0.0076 357 ARG B NH1 ? ? 1 +7164 N NH1 B ARG B 356 0.2227 0.8578 0.8849 -0.0267 -0.1074 -0.0155 357 ARG B NH1 ? ? 1 +7165 N NH2 A ARG B 356 0.1853 0.8364 0.8737 -0.0340 -0.0983 -0.0113 357 ARG B NH2 ? ? 1 +7166 N NH2 B ARG B 356 0.2081 0.8543 0.8898 -0.0334 -0.1029 -0.0146 357 ARG B NH2 ? ? 1 +7167 N N . ARG B 357 0.1925 0.8482 0.8688 -0.0158 -0.1027 -0.0049 358 ARG B N ? ? 1 +7168 C CA . ARG B 357 0.1794 0.8398 0.8632 -0.0174 -0.0982 -0.0023 358 ARG B CA ? ? 1 +7169 C CB . ARG B 357 0.1759 0.8476 0.8728 -0.0190 -0.1003 -0.0043 358 ARG B CB ? ? 1 +7170 C CG . ARG B 357 0.1823 0.8584 0.8798 -0.0148 -0.1048 -0.0055 358 ARG B CG ? ? 1 +7171 C CD . ARG B 357 0.1806 0.8686 0.8919 -0.0166 -0.1069 -0.0079 358 ARG B CD ? ? 1 +7172 N NE . ARG B 357 0.1843 0.8771 0.8970 -0.0121 -0.1105 -0.0085 358 ARG B NE ? ? 1 +7173 C CZ . ARG B 357 0.1808 0.8835 0.9045 -0.0124 -0.1105 -0.0092 358 ARG B CZ ? ? 1 +7174 N NH1 . ARG B 357 0.1759 0.8853 0.9107 -0.0172 -0.1078 -0.0097 358 ARG B NH1 ? ? 1 +7175 N NH2 . ARG B 357 0.1837 0.8893 0.9070 -0.0076 -0.1132 -0.0092 358 ARG B NH2 ? ? 1 +7176 C C . ARG B 357 0.1686 0.8259 0.8533 -0.0212 -0.0926 -0.0004 358 ARG B C ? ? 1 +7177 O O . ARG B 357 0.1698 0.8247 0.8542 -0.0238 -0.0926 -0.0018 358 ARG B O ? ? 1 +7178 N N . MET B 358 0.1555 0.8131 0.8418 -0.0214 -0.0881 0.0027 359 MET B N ? ? 1 +7179 C CA . MET B 358 0.1454 0.8007 0.8330 -0.0244 -0.0828 0.0048 359 MET B CA ? ? 1 +7180 C CB . MET B 358 0.1396 0.7941 0.8260 -0.0231 -0.0789 0.0082 359 MET B CB ? ? 1 +7181 C CG . MET B 358 0.1322 0.7865 0.8220 -0.0260 -0.0738 0.0103 359 MET B CG ? ? 1 +7182 S SD . MET B 358 0.1259 0.7810 0.8160 -0.0246 -0.0702 0.0136 359 MET B SD ? ? 1 +7183 C CE . MET B 358 0.1289 0.7739 0.8079 -0.0236 -0.0665 0.0156 359 MET B CE ? ? 1 +7184 C C . MET B 358 0.1356 0.7974 0.8341 -0.0287 -0.0819 0.0038 359 MET B C ? ? 1 +7185 O O . MET B 358 0.1285 0.7978 0.8353 -0.0292 -0.0822 0.0037 359 MET B O ? ? 1 +7186 N N . PRO B 359 0.1320 0.7906 0.8304 -0.0317 -0.0803 0.0032 360 PRO B N ? ? 1 +7187 C CA . PRO B 359 0.1232 0.7861 0.8305 -0.0359 -0.0781 0.0031 360 PRO B CA ? ? 1 +7188 C CB . PRO B 359 0.1281 0.7853 0.8321 -0.0382 -0.0780 0.0017 360 PRO B CB ? ? 1 +7189 C CG . PRO B 359 0.1362 0.7867 0.8298 -0.0352 -0.0801 0.0010 360 PRO B CG ? ? 1 +7190 C CD . PRO B 359 0.1376 0.7880 0.8269 -0.0312 -0.0807 0.0025 360 PRO B CD ? ? 1 +7191 C C . PRO B 359 0.1123 0.7758 0.8220 -0.0366 -0.0732 0.0064 360 PRO B C ? ? 1 +7192 O O . PRO B 359 0.1121 0.7707 0.8156 -0.0347 -0.0706 0.0087 360 PRO B O ? ? 1 +7193 N N . ALA B 360 0.1026 0.7721 0.8213 -0.0393 -0.0717 0.0065 361 ALA B N ? ? 1 +7194 C CA . ALA B 360 0.0933 0.7640 0.8147 -0.0399 -0.0675 0.0094 361 ALA B CA ? ? 1 +7195 C CB . ALA B 360 0.0879 0.7653 0.8191 -0.0430 -0.0664 0.0090 361 ALA B CB ? ? 1 +7196 C C . ALA B 360 0.0916 0.7557 0.8082 -0.0406 -0.0638 0.0114 361 ALA B C ? ? 1 +7197 O O . ALA B 360 0.0871 0.7509 0.8037 -0.0401 -0.0606 0.0139 361 ALA B O ? ? 1 +7198 N N . PHE B 361 0.0948 0.7540 0.8079 -0.0418 -0.0643 0.0101 362 PHE B N ? ? 1 +7199 C CA . PHE B 361 0.0935 0.7469 0.8028 -0.0424 -0.0608 0.0117 362 PHE B CA ? ? 1 +7200 C CB . PHE B 361 0.0982 0.7464 0.8044 -0.0439 -0.0617 0.0098 362 PHE B CB ? ? 1 +7201 C CG . PHE B 361 0.0964 0.7448 0.8076 -0.0476 -0.0600 0.0095 362 PHE B CG ? ? 1 +7202 C CD1 . PHE B 361 0.0922 0.7400 0.8051 -0.0484 -0.0561 0.0120 362 PHE B CD1 ? ? 1 +7203 C CD2 . PHE B 361 0.0998 0.7480 0.8131 -0.0502 -0.0623 0.0068 362 PHE B CD2 ? ? 1 +7204 C CE1 . PHE B 361 0.0921 0.7389 0.8085 -0.0515 -0.0545 0.0119 362 PHE B CE1 ? ? 1 +7205 C CE2 . PHE B 361 0.1001 0.7474 0.8172 -0.0537 -0.0604 0.0066 362 PHE B CE2 ? ? 1 +7206 C CZ . PHE B 361 0.0963 0.7427 0.8147 -0.0542 -0.0564 0.0093 362 PHE B CZ ? ? 1 +7207 C C . PHE B 361 0.0937 0.7430 0.7959 -0.0393 -0.0593 0.0136 362 PHE B C ? ? 1 +7208 O O . PHE B 361 0.0931 0.7398 0.7940 -0.0394 -0.0559 0.0155 362 PHE B O ? ? 1 +7209 N N . PHE B 362 0.0969 0.7455 0.7946 -0.0366 -0.0618 0.0130 363 PHE B N ? ? 1 +7210 C CA . PHE B 362 0.0995 0.7427 0.7890 -0.0339 -0.0606 0.0142 363 PHE B CA ? ? 1 +7211 C CB . PHE B 362 0.1072 0.7470 0.7900 -0.0319 -0.0641 0.0123 363 PHE B CB ? ? 1 +7212 C CG . PHE B 362 0.1132 0.7493 0.7937 -0.0332 -0.0656 0.0100 363 PHE B CG ? ? 1 +7213 C CD1 . PHE B 362 0.1135 0.7533 0.7999 -0.0357 -0.0682 0.0077 363 PHE B CD1 ? ? 1 +7214 C CD2 . PHE B 362 0.1189 0.7478 0.7912 -0.0321 -0.0643 0.0100 363 PHE B CD2 ? ? 1 +7215 C CE1 . PHE B 362 0.1188 0.7548 0.8028 -0.0370 -0.0696 0.0055 363 PHE B CE1 ? ? 1 +7216 C CE2 . PHE B 362 0.1247 0.7499 0.7945 -0.0332 -0.0657 0.0078 363 PHE B CE2 ? ? 1 +7217 C CZ . PHE B 362 0.1248 0.7534 0.8003 -0.0357 -0.0685 0.0055 363 PHE B CZ ? ? 1 +7218 C C . PHE B 362 0.0958 0.7409 0.7852 -0.0321 -0.0590 0.0164 363 PHE B C ? ? 1 +7219 O O . PHE B 362 0.0955 0.7440 0.7864 -0.0307 -0.0612 0.0161 363 PHE B O ? ? 1 +7220 N N . GLU B 363 0.0934 0.7358 0.7806 -0.0320 -0.0552 0.0185 364 GLU B N ? ? 1 +7221 C CA . GLU B 363 0.0906 0.7335 0.7766 -0.0304 -0.0535 0.0205 364 GLU B CA ? ? 1 +7222 C CB . GLU B 363 0.0873 0.7282 0.7729 -0.0311 -0.0494 0.0224 364 GLU B CB ? ? 1 +7223 C CG . GLU B 363 0.0815 0.7261 0.7742 -0.0334 -0.0479 0.0230 364 GLU B CG ? ? 1 +7224 C CD . GLU B 363 0.0754 0.7250 0.7733 -0.0336 -0.0473 0.0243 364 GLU B CD ? ? 1 +7225 O OE1 . GLU B 363 0.0754 0.7254 0.7713 -0.0320 -0.0476 0.0250 364 GLU B OE1 ? ? 1 +7226 O OE2 . GLU B 363 0.0716 0.7241 0.7749 -0.0355 -0.0462 0.0247 364 GLU B OE2 ? ? 1 +7227 C C . GLU B 363 0.0969 0.7357 0.7750 -0.0276 -0.0550 0.0203 364 GLU B C ? ? 1 +7228 O O . GLU B 363 0.0961 0.7359 0.7734 -0.0259 -0.0555 0.0211 364 GLU B O ? ? 1 +7229 N N . SER B 364 0.1047 0.7383 0.7766 -0.0270 -0.0559 0.0191 365 SER B N ? ? 1 +7230 C CA . SER B 364 0.1134 0.7421 0.7766 -0.0242 -0.0573 0.0188 365 SER B CA ? ? 1 +7231 C CB . SER B 364 0.1160 0.7388 0.7725 -0.0236 -0.0533 0.0203 365 SER B CB ? ? 1 +7232 O OG . SER B 364 0.1181 0.7377 0.7729 -0.0247 -0.0518 0.0196 365 SER B OG ? ? 1 +7233 C C . SER B 364 0.1215 0.7480 0.7817 -0.0240 -0.0608 0.0162 365 SER B C ? ? 1 +7234 O O . SER B 364 0.1223 0.7493 0.7854 -0.0260 -0.0608 0.0151 365 SER B O ? ? 1 +7235 N N . PHE B 365 0.1304 0.7539 0.7840 -0.0213 -0.0639 0.0153 366 PHE B N ? ? 1 +7236 C CA . PHE B 365 0.1386 0.7605 0.7893 -0.0208 -0.0680 0.0126 366 PHE B CA ? ? 1 +7237 C CB . PHE B 365 0.1363 0.7658 0.7953 -0.0215 -0.0722 0.0107 366 PHE B CB ? ? 1 +7238 C CG . PHE B 365 0.1413 0.7707 0.8003 -0.0223 -0.0761 0.0076 366 PHE B CG ? ? 1 +7239 C CD1 . PHE B 365 0.1403 0.7691 0.8022 -0.0254 -0.0747 0.0067 366 PHE B CD1 ? ? 1 +7240 C CD2 . PHE B 365 0.1485 0.7777 0.8039 -0.0199 -0.0812 0.0055 366 PHE B CD2 ? ? 1 +7241 C CE1 . PHE B 365 0.1457 0.7738 0.8071 -0.0264 -0.0783 0.0037 366 PHE B CE1 ? ? 1 +7242 C CE2 . PHE B 365 0.1538 0.7829 0.8092 -0.0209 -0.0850 0.0023 366 PHE B CE2 ? ? 1 +7243 C CZ . PHE B 365 0.1526 0.7811 0.8111 -0.0242 -0.0835 0.0014 366 PHE B CZ ? ? 1 +7244 C C . PHE B 365 0.1501 0.7650 0.7893 -0.0174 -0.0695 0.0124 366 PHE B C ? ? 1 +7245 O O . PHE B 365 0.1510 0.7648 0.7870 -0.0153 -0.0692 0.0139 366 PHE B O ? ? 1 +7246 N N . PRO B 366 0.1620 0.7713 0.7940 -0.0168 -0.0709 0.0108 367 PRO B N ? ? 1 +7247 C CA . PRO B 366 0.1756 0.7775 0.7958 -0.0134 -0.0724 0.0106 367 PRO B CA ? ? 1 +7248 C CB . PRO B 366 0.1817 0.7777 0.7956 -0.0138 -0.0723 0.0090 367 PRO B CB ? ? 1 +7249 C CG . PRO B 366 0.1757 0.7769 0.7987 -0.0170 -0.0732 0.0073 367 PRO B CG ? ? 1 +7250 C CD . PRO B 366 0.1640 0.7726 0.7979 -0.0191 -0.0709 0.0090 367 PRO B CD ? ? 1 +7251 C C . PRO B 366 0.1846 0.7894 0.8049 -0.0109 -0.0783 0.0090 367 PRO B C ? ? 1 +7252 O O . PRO B 366 0.1821 0.7945 0.8117 -0.0122 -0.0813 0.0074 367 PRO B O ? ? 1 +7253 N N . VAL B 367 0.1987 0.7971 0.8083 -0.0073 -0.0797 0.0094 368 VAL B N ? ? 1 +7254 C CA . VAL B 367 0.2070 0.8068 0.8147 -0.0041 -0.0854 0.0079 368 VAL B CA ? ? 1 +7255 C CB . VAL B 367 0.2108 0.8060 0.8112 -0.0008 -0.0840 0.0103 368 VAL B CB ? ? 1 +7256 C CG1 . VAL B 367 0.2191 0.8136 0.8146 0.0035 -0.0901 0.0089 368 VAL B CG1 ? ? 1 +7257 C CG2 . VAL B 367 0.2006 0.8013 0.8096 -0.0024 -0.0805 0.0126 368 VAL B CG2 ? ? 1 +7258 C C . VAL B 367 0.2234 0.8183 0.8232 -0.0025 -0.0896 0.0052 368 VAL B C ? ? 1 +7259 O O . VAL B 367 0.2342 0.8197 0.8219 -0.0006 -0.0883 0.0058 368 VAL B O ? ? 1 +7260 N N . ILE B 368 0.2291 0.8303 0.8359 -0.0035 -0.0946 0.0021 369 ILE B N ? ? 1 +7261 C CA . ILE B 368 0.2433 0.8408 0.8438 -0.0023 -0.0992 -0.0009 369 ILE B CA ? ? 1 +7262 C CB . ILE B 368 0.2423 0.8409 0.8477 -0.0065 -0.0979 -0.0025 369 ILE B CB ? ? 1 +7263 C CG1 . ILE B 368 0.2445 0.8366 0.8451 -0.0079 -0.0910 0.0001 369 ILE B CG1 ? ? 1 +7264 C CG2 . ILE B 368 0.2516 0.8474 0.8521 -0.0058 -0.1032 -0.0062 369 ILE B CG2 ? ? 1 +7265 C CD1 . ILE B 368 0.2426 0.8355 0.8482 -0.0117 -0.0886 -0.0008 369 ILE B CD1 ? ? 1 +7266 C C . ILE B 368 0.2504 0.8539 0.8546 0.0000 -0.1063 -0.0035 369 ILE B C ? ? 1 +7267 O O . ILE B 368 0.2388 0.8521 0.8553 -0.0016 -0.1075 -0.0041 369 ILE B O ? ? 1 +7268 N N . LEU B 369 0.2703 0.8678 0.8635 0.0039 -0.1108 -0.0050 370 LEU B N ? ? 1 +7269 C CA . LEU B 369 0.2803 0.8828 0.8755 0.0069 -0.1181 -0.0077 370 LEU B CA ? ? 1 +7270 C CB . LEU B 369 0.2881 0.8848 0.8726 0.0126 -0.1198 -0.0062 370 LEU B CB ? ? 1 +7271 C CG . LEU B 369 0.2806 0.8803 0.8695 0.0133 -0.1162 -0.0029 370 LEU B CG ? ? 1 +7272 C CD1 . LEU B 369 0.2801 0.8736 0.8650 0.0112 -0.1084 0.0007 370 LEU B CD1 ? ? 1 +7273 C CD2 . LEU B 369 0.2888 0.8850 0.8695 0.0190 -0.1198 -0.0024 370 LEU B CD2 ? ? 1 +7274 C C . LEU B 369 0.2956 0.8965 0.8874 0.0068 -0.1234 -0.0117 370 LEU B C ? ? 1 +7275 O O . LEU B 369 0.3050 0.8958 0.8841 0.0083 -0.1232 -0.0118 370 LEU B O ? ? 1 +7276 N N . THR B 370 0.3027 0.9137 0.9064 0.0049 -0.1280 -0.0150 371 THR B N ? ? 1 +7277 C CA . THR B 370 0.3195 0.9303 0.9218 0.0044 -0.1336 -0.0192 371 THR B CA ? ? 1 +7278 C CB . THR B 370 0.3129 0.9311 0.9282 -0.0015 -0.1327 -0.0212 371 THR B CB ? ? 1 +7279 O OG1 . THR B 370 0.3017 0.9315 0.9315 -0.0032 -0.1325 -0.0210 371 THR B OG1 ? ? 1 +7280 C CG2 . THR B 370 0.3126 0.9253 0.9264 -0.0052 -0.1255 -0.0189 371 THR B CG2 ? ? 1 +7281 C C . THR B 370 0.3306 0.9462 0.9333 0.0085 -0.1416 -0.0221 371 THR B C ? ? 1 +7282 O O . THR B 370 0.3271 0.9485 0.9350 0.0107 -0.1424 -0.0210 371 THR B O ? ? 1 +7283 N N . ASP B 371 0.3552 0.9680 0.9522 0.0097 -0.1475 -0.0258 372 ASP B N ? ? 1 +7284 C CA . ASP B 371 0.3682 0.9879 0.9689 0.0125 -0.1559 -0.0296 372 ASP B CA ? ? 1 +7285 C CB . ASP B 371 0.3834 0.9948 0.9708 0.0156 -0.1617 -0.0326 372 ASP B CB ? ? 1 +7286 C CG . ASP B 371 0.3854 0.9940 0.9723 0.0112 -0.1617 -0.0353 372 ASP B CG ? ? 1 +7287 O OD1 . ASP B 371 0.3721 0.9862 0.9706 0.0054 -0.1577 -0.0352 372 ASP B OD1 ? ? 1 +7288 O OD2 . ASP B 371 0.3978 0.9977 0.9718 0.0136 -0.1655 -0.0373 372 ASP B OD2 ? ? 1 +7289 C C . ASP B 371 0.3729 1.0063 0.9921 0.0076 -0.1576 -0.0326 372 ASP B C ? ? 1 +7290 O O . ASP B 371 0.3587 0.9944 0.9858 0.0023 -0.1522 -0.0315 372 ASP B O ? ? 1 +7291 N N . LYS B 372 0.4023 1.0445 1.0282 0.0094 -0.1651 -0.0365 373 LYS B N ? ? 1 +7292 C CA . LYS B 372 0.4104 1.0664 1.0546 0.0047 -0.1666 -0.0394 373 LYS B CA ? ? 1 +7293 C CB . LYS B 372 0.4433 1.1090 1.0938 0.0081 -0.1751 -0.0435 373 LYS B CB ? ? 1 +7294 C CG . LYS B 372 0.4845 1.1463 1.1266 0.0106 -0.1831 -0.0479 373 LYS B CG ? ? 1 +7295 C CD . LYS B 372 0.5094 1.1813 1.1575 0.0151 -0.1915 -0.0515 373 LYS B CD ? ? 1 +7296 C CE . LYS B 372 0.5485 1.2183 1.1900 0.0174 -0.2002 -0.0564 373 LYS B CE ? ? 1 +7297 N NZ . LYS B 372 0.5811 1.2347 1.2010 0.0222 -0.2006 -0.0545 373 LYS B NZ ? ? 1 +7298 C C . LYS B 372 0.4124 1.0678 1.0605 -0.0015 -0.1654 -0.0418 373 LYS B C ? ? 1 +7299 O O . LYS B 372 0.3940 1.0576 1.0559 -0.0068 -0.1626 -0.0423 373 LYS B O ? ? 1 +7300 N N . ASN B 373 0.4342 1.0789 1.0692 -0.0007 -0.1671 -0.0430 374 ASN B N ? ? 1 +7301 C CA . ASN B 373 0.4420 1.0832 1.0775 -0.0060 -0.1652 -0.0447 374 ASN B CA ? ? 1 +7302 C CB . ASN B 373 0.4703 1.1018 1.0916 -0.0034 -0.1702 -0.0475 374 ASN B CB ? ? 1 +7303 C CG . ASN B 373 0.5002 1.1385 1.1247 -0.0013 -0.1796 -0.0525 374 ASN B CG ? ? 1 +7304 O OD1 . ASN B 373 0.5215 1.1725 1.1597 -0.0016 -0.1825 -0.0541 374 ASN B OD1 ? ? 1 +7305 N ND2 . ASN B 373 0.5300 1.1602 1.1422 0.0011 -0.1845 -0.0552 374 ASN B ND2 ? ? 1 +7306 C C . ASN B 373 0.4297 1.0642 1.0628 -0.0093 -0.1563 -0.0406 374 ASN B C ? ? 1 +7307 O O . ASN B 373 0.4368 1.0671 1.0690 -0.0132 -0.1545 -0.0418 374 ASN B O ? ? 1 +7308 N N . GLY B 374 0.4075 1.0406 1.0392 -0.0075 -0.1510 -0.0360 375 GLY B N ? ? 1 +7309 C CA . GLY B 374 0.4013 1.0292 1.0317 -0.0103 -0.1427 -0.0322 375 GLY B CA ? ? 1 +7310 C C . GLY B 374 0.3954 1.0095 1.0097 -0.0085 -0.1398 -0.0306 375 GLY B C ? ? 1 +7311 O O . GLY B 374 0.3878 0.9976 1.0014 -0.0113 -0.1336 -0.0283 375 GLY B O ? ? 1 +7312 N N . VAL B 375 0.3978 1.0049 0.9992 -0.0038 -0.1443 -0.0318 376 VAL B N ? ? 1 +7313 C CA . VAL B 375 0.3989 0.9926 0.9838 -0.0014 -0.1414 -0.0300 376 VAL B CA ? ? 1 +7314 C CB . VAL B 375 0.4204 1.0074 0.9927 0.0025 -0.1482 -0.0333 376 VAL B CB ? ? 1 +7315 C CG1 . VAL B 375 0.4292 1.0018 0.9836 0.0053 -0.1447 -0.0312 376 VAL B CG1 ? ? 1 +7316 C CG2 . VAL B 375 0.4294 1.0198 1.0071 -0.0009 -0.1532 -0.0383 376 VAL B CG2 ? ? 1 +7317 C C . VAL B 375 0.3865 0.9763 0.9657 0.0018 -0.1365 -0.0252 376 VAL B C ? ? 1 +7318 O O . VAL B 375 0.3820 0.9757 0.9624 0.0051 -0.1392 -0.0246 376 VAL B O ? ? 1 +7319 N N . VAL B 376 0.3727 0.9548 0.9456 0.0008 -0.1295 -0.0222 377 VAL B N ? ? 1 +7320 C CA . VAL B 376 0.3617 0.9398 0.9295 0.0029 -0.1240 -0.0177 377 VAL B CA ? ? 1 +7321 C CB . VAL B 376 0.3583 0.9305 0.9234 0.0004 -0.1161 -0.0150 377 VAL B CB ? ? 1 +7322 C CG1 . VAL B 376 0.3572 0.9248 0.9163 0.0025 -0.1106 -0.0107 377 VAL B CG1 ? ? 1 +7323 C CG2 . VAL B 376 0.3440 0.9240 0.9235 -0.0049 -0.1131 -0.0151 377 VAL B CG2 ? ? 1 +7324 C C . VAL B 376 0.3718 0.9411 0.9242 0.0086 -0.1268 -0.0173 377 VAL B C ? ? 1 +7325 O O . VAL B 376 0.3850 0.9456 0.9254 0.0103 -0.1287 -0.0190 377 VAL B O ? ? 1 +7326 N N . LYS B 377 0.3663 0.9373 0.9184 0.0117 -0.1270 -0.0151 378 LYS B N ? ? 1 +7327 C CA . LYS B 377 0.3758 0.9382 0.9132 0.0174 -0.1294 -0.0143 378 LYS B CA ? ? 1 +7328 C CB . LYS B 377 0.3864 0.9556 0.9276 0.0208 -0.1373 -0.0166 378 LYS B CB ? ? 1 +7329 C CG . LYS B 377 0.3978 0.9721 0.9436 0.0200 -0.1445 -0.0216 378 LYS B CG ? ? 1 +7330 C CD . LYS B 377 0.4200 0.9834 0.9502 0.0225 -0.1476 -0.0236 378 LYS B CD ? ? 1 +7331 C CE . LYS B 377 0.4346 1.0037 0.9682 0.0236 -0.1569 -0.0286 378 LYS B CE ? ? 1 +7332 N NZ . LYS B 377 0.4614 1.0198 0.9775 0.0286 -0.1618 -0.0302 378 LYS B NZ ? ? 1 +7333 C C . LYS B 377 0.3636 0.9200 0.8946 0.0189 -0.1231 -0.0097 378 LYS B C ? ? 1 +7334 O O . LYS B 377 0.3762 0.9220 0.8921 0.0228 -0.1227 -0.0084 378 LYS B O ? ? 1 +7335 N N . ALA B 378 0.3408 0.9038 0.8831 0.0158 -0.1181 -0.0073 379 ALA B N ? ? 1 +7336 C CA . ALA B 378 0.3335 0.8914 0.8709 0.0167 -0.1119 -0.0031 379 ALA B CA ? ? 1 +7337 C CB . ALA B 378 0.3378 0.8966 0.8731 0.0209 -0.1150 -0.0021 379 ALA B CB ? ? 1 +7338 C C . ALA B 378 0.3132 0.8774 0.8628 0.0119 -0.1057 -0.0011 379 ALA B C ? ? 1 +7339 O O . ALA B 378 0.2999 0.8741 0.8632 0.0087 -0.1069 -0.0025 379 ALA B O ? ? 1 +7340 N N . ASP B 379 0.3063 0.8644 0.8504 0.0114 -0.0989 0.0022 380 ASP B N ? ? 1 +7341 C CA . ASP B 379 0.2886 0.8519 0.8430 0.0074 -0.0929 0.0044 380 ASP B CA ? ? 1 +7342 C CB . ASP B 379 0.2846 0.8477 0.8419 0.0037 -0.0900 0.0033 380 ASP B CB ? ? 1 +7343 C CG . ASP B 379 0.2960 0.8478 0.8394 0.0048 -0.0873 0.0034 380 ASP B CG ? ? 1 +7344 O OD1 . ASP B 379 0.3008 0.8450 0.8342 0.0068 -0.0839 0.0058 380 ASP B OD1 ? ? 1 +7345 O OD2 . ASP B 379 0.2994 0.8500 0.8423 0.0034 -0.0883 0.0012 380 ASP B OD2 ? ? 1 +7346 C C . ASP B 379 0.2869 0.8442 0.8350 0.0082 -0.0870 0.0080 380 ASP B C ? ? 1 +7347 O O . ASP B 379 0.2992 0.8474 0.8342 0.0116 -0.0870 0.0090 380 ASP B O ? ? 1 +7348 N N . ILE B 380 0.2723 0.8347 0.8298 0.0050 -0.0820 0.0100 381 ILE B N ? ? 1 +7349 C CA . ILE B 380 0.2728 0.8298 0.8254 0.0046 -0.0755 0.0132 381 ILE B CA ? ? 1 +7350 C CB . ILE B 380 0.2628 0.8265 0.8251 0.0033 -0.0733 0.0152 381 ILE B CB ? ? 1 +7351 C CG1 . ILE B 380 0.2626 0.8288 0.8252 0.0066 -0.0783 0.0150 381 ILE B CG1 ? ? 1 +7352 C CG2 . ILE B 380 0.2651 0.8233 0.8227 0.0023 -0.0665 0.0182 381 ILE B CG2 ? ? 1 +7353 C CD1 . ILE B 380 0.2522 0.8252 0.8244 0.0054 -0.0768 0.0165 381 ILE B CD1 ? ? 1 +7354 C C . ILE B 380 0.2683 0.8223 0.8198 0.0018 -0.0705 0.0133 381 ILE B C ? ? 1 +7355 O O . ILE B 380 0.2568 0.8174 0.8188 -0.0014 -0.0690 0.0129 381 ILE B O ? ? 1 +7356 N N . PRO B 381 0.2786 0.8224 0.8172 0.0033 -0.0678 0.0138 382 PRO B N ? ? 1 +7357 C CA . PRO B 381 0.2806 0.8214 0.8176 0.0011 -0.0631 0.0137 382 PRO B CA ? ? 1 +7358 C CB . PRO B 381 0.2973 0.8261 0.8177 0.0040 -0.0625 0.0136 382 PRO B CB ? ? 1 +7359 C CG . PRO B 381 0.3025 0.8275 0.8163 0.0068 -0.0634 0.0154 382 PRO B CG ? ? 1 +7360 C CD . PRO B 381 0.2932 0.8275 0.8174 0.0072 -0.0689 0.0146 382 PRO B CD ? ? 1 +7361 C C . PRO B 381 0.2700 0.8134 0.8132 -0.0018 -0.0563 0.0161 382 PRO B C ? ? 1 +7362 O O . PRO B 381 0.2670 0.8106 0.8108 -0.0016 -0.0541 0.0182 382 PRO B O ? ? 1 +7363 N N A PHE B 382 0.2666 0.8118 0.8144 -0.0043 -0.0532 0.0155 383 PHE B N ? ? 1 +7364 N N B PHE B 382 0.2652 0.8105 0.8131 -0.0043 -0.0532 0.0155 383 PHE B N ? ? 1 +7365 C CA A PHE B 382 0.2613 0.8087 0.8145 -0.0068 -0.0467 0.0173 383 PHE B CA ? ? 1 +7366 C CA B PHE B 382 0.2590 0.8065 0.8122 -0.0068 -0.0468 0.0173 383 PHE B CA ? ? 1 +7367 C C A PHE B 382 0.2754 0.8134 0.8170 -0.0059 -0.0416 0.0182 383 PHE B C ? ? 1 +7368 C C B PHE B 382 0.2732 0.8113 0.8148 -0.0059 -0.0417 0.0181 383 PHE B C ? ? 1 +7369 O O A PHE B 382 0.2769 0.8115 0.8143 -0.0057 -0.0380 0.0202 383 PHE B O ? ? 1 +7370 O O B PHE B 382 0.2744 0.8090 0.8118 -0.0057 -0.0380 0.0202 383 PHE B O ? ? 1 +7371 C CB A PHE B 382 0.2500 0.8044 0.8143 -0.0095 -0.0464 0.0162 383 PHE B CB ? ? 1 +7372 C CB B PHE B 382 0.2467 0.8013 0.8113 -0.0095 -0.0464 0.0162 383 PHE B CB ? ? 1 +7373 C CG A PHE B 382 0.2402 0.7991 0.8125 -0.0120 -0.0409 0.0179 383 PHE B CG ? ? 1 +7374 C CG B PHE B 382 0.2366 0.7955 0.8089 -0.0119 -0.0409 0.0180 383 PHE B CG ? ? 1 +7375 C CD1 A PHE B 382 0.2424 0.7972 0.8108 -0.0125 -0.0352 0.0185 383 PHE B CD1 ? ? 1 +7376 C CD1 B PHE B 382 0.2383 0.7931 0.8067 -0.0125 -0.0352 0.0186 383 PHE B CD1 ? ? 1 +7377 C CD2 A PHE B 382 0.2277 0.7948 0.8113 -0.0137 -0.0413 0.0189 383 PHE B CD2 ? ? 1 +7378 C CD2 B PHE B 382 0.2236 0.7908 0.8072 -0.0136 -0.0413 0.0190 383 PHE B CD2 ? ? 1 +7379 C CE1 A PHE B 382 0.2335 0.7930 0.8098 -0.0146 -0.0305 0.0198 383 PHE B CE1 ? ? 1 +7380 C CE1 B PHE B 382 0.2289 0.7884 0.8052 -0.0146 -0.0305 0.0199 383 PHE B CE1 ? ? 1 +7381 C CE2 A PHE B 382 0.2200 0.7911 0.8106 -0.0157 -0.0367 0.0203 383 PHE B CE2 ? ? 1 +7382 C CE2 B PHE B 382 0.2161 0.7872 0.8066 -0.0157 -0.0366 0.0204 383 PHE B CE2 ? ? 1 +7383 C CZ A PHE B 382 0.2224 0.7899 0.8096 -0.0162 -0.0315 0.0207 383 PHE B CZ ? ? 1 +7384 C CZ B PHE B 382 0.2180 0.7855 0.8051 -0.0161 -0.0314 0.0208 383 PHE B CZ ? ? 1 +7385 N N A ARG B 383 0.2875 0.8210 0.8234 -0.0055 -0.0414 0.0164 384 ARG B N ? ? 1 +7386 N N B ARG B 383 0.2855 0.8190 0.8214 -0.0055 -0.0415 0.0164 384 ARG B N ? ? 1 +7387 C CA A ARG B 383 0.3045 0.8281 0.8275 -0.0041 -0.0374 0.0168 384 ARG B CA ? ? 1 +7388 C CA B ARG B 383 0.3030 0.8266 0.8260 -0.0041 -0.0374 0.0167 384 ARG B CA ? ? 1 +7389 C C A ARG B 383 0.3246 0.8398 0.8342 -0.0007 -0.0413 0.0164 384 ARG B C ? ? 1 +7390 C C B ARG B 383 0.3238 0.8391 0.8334 -0.0007 -0.0413 0.0164 384 ARG B C ? ? 1 +7391 O O A ARG B 383 0.3305 0.8452 0.8377 0.0009 -0.0471 0.0142 384 ARG B O ? ? 1 +7392 O O B ARG B 383 0.3305 0.8452 0.8377 0.0009 -0.0471 0.0142 384 ARG B O ? ? 1 +7393 C CB A ARG B 383 0.3063 0.8278 0.8278 -0.0046 -0.0358 0.0149 384 ARG B CB ? ? 1 +7394 C CB B ARG B 383 0.3045 0.8260 0.8259 -0.0046 -0.0358 0.0149 384 ARG B CB ? ? 1 +7395 C CG A ARG B 383 0.2960 0.8228 0.8269 -0.0073 -0.0302 0.0155 384 ARG B CG ? ? 1 +7396 C CG B ARG B 383 0.2941 0.8207 0.8247 -0.0073 -0.0302 0.0155 384 ARG B CG ? ? 1 +7397 C CD A ARG B 383 0.2989 0.8232 0.8278 -0.0073 -0.0291 0.0135 384 ARG B CD ? ? 1 +7398 C CD B ARG B 383 0.2967 0.8209 0.8254 -0.0072 -0.0293 0.0134 384 ARG B CD ? ? 1 +7399 N NE A ARG B 383 0.2919 0.8210 0.8294 -0.0093 -0.0239 0.0140 384 ARG B NE ? ? 1 +7400 N NE B ARG B 383 0.2893 0.8187 0.8272 -0.0093 -0.0244 0.0139 384 ARG B NE ? ? 1 +7401 C CZ A ARG B 383 0.2940 0.8212 0.8305 -0.0093 -0.0212 0.0127 384 ARG B CZ ? ? 1 +7402 C CZ B ARG B 383 0.2918 0.8190 0.8282 -0.0093 -0.0215 0.0126 384 ARG B CZ ? ? 1 +7403 N NH1 A ARG B 383 0.3034 0.8246 0.8318 -0.0077 -0.0238 0.0105 384 ARG B NH1 ? ? 1 +7404 N NH1 B ARG B 383 0.3015 0.8226 0.8298 -0.0077 -0.0240 0.0104 384 ARG B NH1 ? ? 1 +7405 N NH2 A ARG B 383 0.2866 0.8181 0.8303 -0.0107 -0.0160 0.0134 384 ARG B NH2 ? ? 1 +7406 N NH2 B ARG B 383 0.2844 0.8157 0.8278 -0.0107 -0.0162 0.0134 384 ARG B NH2 ? ? 1 +7407 N N . ARG B 384 0.3382 0.8468 0.8389 0.0005 -0.0381 0.0185 385 ARG B N ? ? 1 +7408 C CA . ARG B 384 0.3616 0.8613 0.8485 0.0042 -0.0415 0.0185 385 ARG B CA ? ? 1 +7409 C CB . ARG B 384 0.3729 0.8676 0.8539 0.0048 -0.0380 0.0213 385 ARG B CB ? ? 1 +7410 C CG . ARG B 384 0.3749 0.8751 0.8623 0.0055 -0.0421 0.0221 385 ARG B CG ? ? 1 +7411 C CD . ARG B 384 0.3630 0.8752 0.8674 0.0021 -0.0414 0.0223 385 ARG B CD ? ? 1 +7412 N NE . ARG B 384 0.3566 0.8735 0.8670 0.0023 -0.0433 0.0236 385 ARG B NE ? ? 1 +7413 C CZ . ARG B 384 0.3529 0.8778 0.8753 -0.0005 -0.0407 0.0247 385 ARG B CZ ? ? 1 +7414 N NH1 . ARG B 384 0.3528 0.8837 0.8846 -0.0037 -0.0376 0.0243 385 ARG B NH1 ? ? 1 +7415 N NH2 . ARG B 384 0.3515 0.8778 0.8759 -0.0001 -0.0412 0.0262 385 ARG B NH2 ? ? 1 +7416 C C . ARG B 384 0.3882 0.8776 0.8609 0.0062 -0.0409 0.0172 385 ARG B C ? ? 1 +7417 O O . ARG B 384 0.3969 0.8801 0.8592 0.0095 -0.0458 0.0162 385 ARG B O ? ? 1 +7418 N N . ALA B 385 0.4102 0.8978 0.8823 0.0044 -0.0349 0.0171 386 ALA B N ? ? 1 +7419 C CA . ALA B 385 0.4455 0.9219 0.9025 0.0063 -0.0324 0.0165 386 ALA B CA ? ? 1 +7420 C CB . ALA B 385 0.4447 0.9207 0.9036 0.0039 -0.0243 0.0171 386 ALA B CB ? ? 1 +7421 C C . ALA B 385 0.4832 0.9565 0.9345 0.0084 -0.0383 0.0135 386 ALA B C ? ? 1 +7422 O O . ALA B 385 0.5314 0.9942 0.9680 0.0107 -0.0375 0.0129 386 ALA B O ? ? 1 +7423 N N . GLU B 386 0.4892 0.9712 0.9515 0.0075 -0.0440 0.0115 387 GLU B N ? ? 1 +7424 C CA . GLU B 386 0.5171 0.9963 0.9739 0.0094 -0.0504 0.0084 387 GLU B CA ? ? 1 +7425 C CB . GLU B 386 0.5580 1.0389 1.0190 0.0075 -0.0488 0.0063 387 GLU B CB ? ? 1 +7426 C CG . GLU B 386 0.6070 1.0789 1.0574 0.0080 -0.0419 0.0067 387 GLU B CG ? ? 1 +7427 C CD . GLU B 386 0.6391 1.1110 1.0914 0.0069 -0.0406 0.0044 387 GLU B CD ? ? 1 +7428 O OE1 . GLU B 386 0.6536 1.1307 1.1131 0.0061 -0.0460 0.0021 387 GLU B OE1 ? ? 1 +7429 O OE2 . GLU B 386 0.6306 1.0973 1.0773 0.0069 -0.0340 0.0048 387 GLU B OE2 ? ? 1 +7430 C C . GLU B 386 0.4864 0.9728 0.9506 0.0101 -0.0584 0.0072 387 GLU B C ? ? 1 +7431 O O . GLU B 386 0.4757 0.9654 0.9435 0.0099 -0.0639 0.0043 387 GLU B O ? ? 1 +7432 N N . SER B 387 0.4647 0.9532 0.9308 0.0108 -0.0589 0.0093 388 SER B N ? ? 1 +7433 C CA . SER B 387 0.4508 0.9460 0.9235 0.0118 -0.0660 0.0084 388 SER B CA ? ? 1 +7434 C CB . SER B 387 0.4529 0.9503 0.9285 0.0120 -0.0641 0.0114 388 SER B CB ? ? 1 +7435 O OG . SER B 387 0.4745 0.9766 0.9537 0.0140 -0.0710 0.0106 388 SER B OG ? ? 1 +7436 C C . SER B 387 0.4468 0.9358 0.9079 0.0158 -0.0731 0.0062 388 SER B C ? ? 1 +7437 O O . SER B 387 0.4521 0.9302 0.8977 0.0189 -0.0721 0.0070 388 SER B O ? ? 1 +7438 N N . LYS B 388 0.4336 0.9295 0.9021 0.0157 -0.0801 0.0032 389 LYS B N ? ? 1 +7439 C CA . LYS B 388 0.4377 0.9298 0.8974 0.0195 -0.0878 0.0008 389 LYS B CA ? ? 1 +7440 C CB . LYS B 388 0.4530 0.9452 0.9127 0.0186 -0.0918 -0.0031 389 LYS B CB ? ? 1 +7441 C CG . LYS B 388 0.4683 0.9578 0.9280 0.0157 -0.0854 -0.0029 389 LYS B CG ? ? 1 +7442 C CD . LYS B 388 0.4908 0.9738 0.9418 0.0164 -0.0878 -0.0062 389 LYS B CD ? ? 1 +7443 C CE . LYS B 388 0.4983 0.9812 0.9533 0.0131 -0.0815 -0.0061 389 LYS B CE ? ? 1 +7444 N NZ . LYS B 388 0.4961 0.9760 0.9492 0.0124 -0.0726 -0.0025 389 LYS B NZ ? ? 1 +7445 C C . LYS B 388 0.4145 0.9148 0.8824 0.0208 -0.0940 0.0003 389 LYS B C ? ? 1 +7446 O O . LYS B 388 0.4257 0.9228 0.8858 0.0247 -0.1003 -0.0011 389 LYS B O ? ? 1 +7447 N N . TYR B 389 0.3847 0.8956 0.8681 0.0178 -0.0923 0.0015 390 TYR B N ? ? 1 +7448 C CA . TYR B 389 0.3678 0.8886 0.8619 0.0184 -0.0980 0.0005 390 TYR B CA ? ? 1 +7449 C CB . TYR B 389 0.3542 0.8862 0.8645 0.0140 -0.0990 -0.0015 390 TYR B CB ? ? 1 +7450 C CG . TYR B 389 0.3610 0.8914 0.8691 0.0133 -0.1026 -0.0051 390 TYR B CG ? ? 1 +7451 C CD1 . TYR B 389 0.3727 0.9018 0.8753 0.0163 -0.1104 -0.0082 390 TYR B CD1 ? ? 1 +7452 C CD2 . TYR B 389 0.3573 0.8877 0.8691 0.0096 -0.0986 -0.0056 390 TYR B CD2 ? ? 1 +7453 C CE1 . TYR B 389 0.3803 0.9080 0.8810 0.0154 -0.1140 -0.0117 390 TYR B CE1 ? ? 1 +7454 C CE2 . TYR B 389 0.3652 0.8937 0.8746 0.0089 -0.1019 -0.0090 390 TYR B CE2 ? ? 1 +7455 C CZ . TYR B 389 0.3779 0.9050 0.8819 0.0116 -0.1096 -0.0121 390 TYR B CZ ? ? 1 +7456 O OH . TYR B 389 0.3913 0.9164 0.8929 0.0108 -0.1134 -0.0158 390 TYR B OH ? ? 1 +7457 C C . TYR B 389 0.3548 0.8783 0.8525 0.0190 -0.0956 0.0036 390 TYR B C ? ? 1 +7458 O O . TYR B 389 0.3425 0.8756 0.8517 0.0187 -0.0989 0.0031 390 TYR B O ? ? 1 +7459 N N . SER B 390 0.3546 0.8695 0.8427 0.0199 -0.0897 0.0067 391 SER B N ? ? 1 +7460 C CA . SER B 390 0.3419 0.8581 0.8325 0.0204 -0.0871 0.0097 391 SER B CA ? ? 1 +7461 C CB . SER B 390 0.3467 0.8520 0.8253 0.0208 -0.0801 0.0128 391 SER B CB ? ? 1 +7462 O OG . SER B 390 0.3617 0.8548 0.8226 0.0249 -0.0820 0.0125 391 SER B OG ? ? 1 +7463 C C . SER B 390 0.3424 0.8598 0.8309 0.0247 -0.0939 0.0090 391 SER B C ? ? 1 +7464 O O . SER B 390 0.3508 0.8639 0.8307 0.0282 -0.0997 0.0068 391 SER B O ? ? 1 +7465 N N . PHE B 391 0.3331 0.8560 0.8292 0.0247 -0.0933 0.0107 392 PHE B N ? ? 1 +7466 C CA . PHE B 391 0.3361 0.8599 0.8302 0.0292 -0.0990 0.0104 392 PHE B CA ? ? 1 +7467 C CB . PHE B 391 0.3228 0.8540 0.8278 0.0281 -0.0971 0.0123 392 PHE B CB ? ? 1 +7468 C CG . PHE B 391 0.3053 0.8509 0.8290 0.0245 -0.0984 0.0108 392 PHE B CG ? ? 1 +7469 C CD1 . PHE B 391 0.2996 0.8504 0.8307 0.0210 -0.0986 0.0086 392 PHE B CD1 ? ? 1 +7470 C CD2 . PHE B 391 0.2980 0.8514 0.8314 0.0248 -0.0991 0.0116 392 PHE B CD2 ? ? 1 +7471 C CE1 . PHE B 391 0.2868 0.8499 0.8343 0.0176 -0.0995 0.0074 392 PHE B CE1 ? ? 1 +7472 C CE2 . PHE B 391 0.2847 0.8508 0.8348 0.0215 -0.0999 0.0103 392 PHE B CE2 ? ? 1 +7473 C CZ . PHE B 391 0.2794 0.8502 0.8364 0.0178 -0.1000 0.0083 392 PHE B CZ ? ? 1 +7474 C C . PHE B 391 0.3554 0.8651 0.8302 0.0340 -0.0993 0.0117 392 PHE B C ? ? 1 +7475 O O . PHE B 391 0.3597 0.8673 0.8283 0.0388 -0.1058 0.0104 392 PHE B O ? ? 1 +7476 N N . GLU B 392 0.3612 0.8612 0.8267 0.0326 -0.0920 0.0144 393 GLU B N ? ? 1 +7477 C CA . GLU B 392 0.3786 0.8638 0.8247 0.0366 -0.0909 0.0160 393 GLU B CA ? ? 1 +7478 C CB . GLU B 392 0.3819 0.8595 0.8225 0.0336 -0.0815 0.0191 393 GLU B CB ? ? 1 +7479 C CG . GLU B 392 0.3722 0.8536 0.8208 0.0314 -0.0768 0.0218 393 GLU B CG ? ? 1 +7480 C CD . GLU B 392 0.3551 0.8489 0.8217 0.0260 -0.0736 0.0216 393 GLU B CD ? ? 1 +7481 O OE1 . GLU B 392 0.3518 0.8520 0.8259 0.0240 -0.0754 0.0193 393 GLU B OE1 ? ? 1 +7482 O OE2 . GLU B 392 0.3475 0.8442 0.8204 0.0239 -0.0695 0.0238 393 GLU B OE2 ? ? 1 +7483 C C . GLU B 392 0.3922 0.8705 0.8264 0.0395 -0.0956 0.0135 393 GLU B C ? ? 1 +7484 O O . GLU B 392 0.4104 0.8802 0.8312 0.0447 -0.0997 0.0134 393 GLU B O ? ? 1 +7485 N N . GLN B 393 0.3872 0.8689 0.8260 0.0365 -0.0952 0.0114 394 GLN B N ? ? 1 +7486 C CA . GLN B 393 0.3987 0.8743 0.8269 0.0389 -0.0997 0.0086 394 GLN B CA ? ? 1 +7487 C CB . GLN B 393 0.3916 0.8695 0.8247 0.0345 -0.0965 0.0072 394 GLN B CB ? ? 1 +7488 C CG . GLN B 393 0.3958 0.8642 0.8199 0.0327 -0.0875 0.0097 394 GLN B CG ? ? 1 +7489 C CD . GLN B 393 0.3848 0.8582 0.8179 0.0279 -0.0832 0.0088 394 GLN B CD ? ? 1 +7490 O OE1 . GLN B 393 0.3677 0.8520 0.8170 0.0242 -0.0816 0.0090 394 GLN B OE1 ? ? 1 +7491 N NE2 . GLN B 393 0.3947 0.8597 0.8172 0.0282 -0.0812 0.0079 394 GLN B NE2 ? ? 1 +7492 C C . GLN B 393 0.4033 0.8856 0.8357 0.0420 -0.1097 0.0053 394 GLN B C ? ? 1 +7493 O O . GLN B 393 0.4182 0.8932 0.8380 0.0462 -0.1149 0.0035 394 GLN B O ? ? 1 +7494 N N . GLN B 394 0.3922 0.8885 0.8425 0.0399 -0.1121 0.0042 395 GLN B N ? ? 1 +7495 C CA . GLN B 394 0.3926 0.8980 0.8507 0.0416 -0.1211 0.0006 395 GLN B CA ? ? 1 +7496 C CB . GLN B 394 0.3760 0.8956 0.8539 0.0363 -0.1209 -0.0012 395 GLN B CB ? ? 1 +7497 C CG . GLN B 394 0.3745 0.8928 0.8533 0.0320 -0.1174 -0.0022 395 GLN B CG ? ? 1 +7498 C CD . GLN B 394 0.3900 0.9010 0.8570 0.0343 -0.1220 -0.0052 395 GLN B CD ? ? 1 +7499 O OE1 . GLN B 394 0.4025 0.9145 0.8667 0.0379 -0.1300 -0.0079 395 GLN B OE1 ? ? 1 +7500 N NE2 . GLN B 394 0.3957 0.8992 0.8555 0.0324 -0.1174 -0.0049 395 GLN B NE2 ? ? 1 +7501 C C . GLN B 394 0.3959 0.9040 0.8547 0.0461 -0.1258 0.0011 395 GLN B C ? ? 1 +7502 O O . GLN B 394 0.3936 0.9101 0.8597 0.0479 -0.1332 -0.0020 395 GLN B O ? ? 1 +7503 N N . GLY B 395 0.4018 0.9030 0.8536 0.0478 -0.1212 0.0048 396 GLY B N ? ? 1 +7504 C CA . GLY B 395 0.4064 0.9080 0.8567 0.0525 -0.1249 0.0056 396 GLY B CA ? ? 1 +7505 C C . GLY B 395 0.3927 0.9103 0.8623 0.0513 -0.1285 0.0041 396 GLY B C ? ? 1 +7506 O O . GLY B 395 0.4022 0.9243 0.8735 0.0555 -0.1358 0.0019 396 GLY B O ? ? 1 +7507 N N . VAL B 396 0.3764 0.9025 0.8602 0.0456 -0.1231 0.0051 397 VAL B N ? ? 1 +7508 C CA . VAL B 396 0.3628 0.9041 0.8654 0.0437 -0.1255 0.0036 397 VAL B CA ? ? 1 +7509 C CB . VAL B 396 0.3462 0.8954 0.8627 0.0368 -0.1199 0.0040 397 VAL B CB ? ? 1 +7510 C CG1 . VAL B 396 0.3331 0.8974 0.8682 0.0348 -0.1221 0.0026 397 VAL B CG1 ? ? 1 +7511 C CG2 . VAL B 396 0.3478 0.8953 0.8627 0.0339 -0.1198 0.0019 397 VAL B CG2 ? ? 1 +7512 C C . VAL B 396 0.3661 0.9083 0.8697 0.0468 -0.1255 0.0057 397 VAL B C ? ? 1 +7513 O O . VAL B 396 0.3651 0.9002 0.8627 0.0464 -0.1195 0.0092 397 VAL B O ? ? 1 +7514 N N . THR B 397 0.3682 0.9193 0.8792 0.0500 -0.1324 0.0033 398 THR B N ? ? 1 +7515 C CA . THR B 397 0.3657 0.9200 0.8803 0.0531 -0.1330 0.0047 398 THR B CA ? ? 1 +7516 C CB . THR B 397 0.3814 0.9309 0.8856 0.0605 -0.1402 0.0035 398 THR B CB ? ? 1 +7517 O OG1 . THR B 397 0.3843 0.9424 0.8950 0.0615 -0.1479 -0.0009 398 THR B OG1 ? ? 1 +7518 C CG2 . THR B 397 0.3996 0.9317 0.8823 0.0639 -0.1389 0.0055 398 THR B CG2 ? ? 1 +7519 C C . THR B 397 0.3503 0.9211 0.8856 0.0498 -0.1339 0.0031 398 THR B C ? ? 1 +7520 O O . THR B 397 0.3433 0.9224 0.8885 0.0463 -0.1358 0.0003 398 THR B O ? ? 1 +7521 N N . VAL B 398 0.3505 0.9252 0.8916 0.0509 -0.1323 0.0048 399 VAL B N ? ? 1 +7522 C CA . VAL B 398 0.3402 0.9303 0.8998 0.0489 -0.1337 0.0031 399 VAL B CA ? ? 1 +7523 C CB . VAL B 398 0.3258 0.9199 0.8951 0.0428 -0.1260 0.0055 399 VAL B CB ? ? 1 +7524 C CG1 . VAL B 398 0.3263 0.9121 0.8883 0.0440 -0.1206 0.0094 399 VAL B CG1 ? ? 1 +7525 C CG2 . VAL B 398 0.3112 0.9210 0.8997 0.0400 -0.1272 0.0035 399 VAL B CG2 ? ? 1 +7526 C C . VAL B 398 0.3503 0.9434 0.9107 0.0548 -0.1381 0.0027 399 VAL B C ? ? 1 +7527 O O . VAL B 398 0.3536 0.9373 0.9033 0.0584 -0.1363 0.0055 399 VAL B O ? ? 1 +7528 N N . SER B 399 0.3582 0.9642 0.9312 0.0558 -0.1440 -0.0008 400 SER B N ? ? 1 +7529 C CA . SER B 399 0.3631 0.9752 0.9406 0.0610 -0.1482 -0.0016 400 SER B CA ? ? 1 +7530 C CB . SER B 399 0.3766 0.9911 0.9515 0.0665 -0.1574 -0.0054 400 SER B CB ? ? 1 +7531 O OG . SER B 399 0.3947 0.9946 0.9506 0.0700 -0.1590 -0.0046 400 SER B OG ? ? 1 +7532 C C . SER B 399 0.3530 0.9803 0.9502 0.0573 -0.1465 -0.0026 400 SER B C ? ? 1 +7533 O O . SER B 399 0.3540 0.9902 0.9627 0.0522 -0.1463 -0.0047 400 SER B O ? ? 1 +7534 N N . PHE B 400 0.3498 0.9796 0.9503 0.0600 -0.1452 -0.0011 401 PHE B N ? ? 1 +7535 C CA . PHE B 400 0.3373 0.9811 0.9556 0.0571 -0.1436 -0.0020 401 PHE B CA ? ? 1 +7536 C CB . PHE B 400 0.3318 0.9716 0.9490 0.0562 -0.1370 0.0018 401 PHE B CB ? ? 1 +7537 C CG . PHE B 400 0.3211 0.9553 0.9362 0.0498 -0.1296 0.0045 401 PHE B CG ? ? 1 +7538 C CD1 . PHE B 400 0.3297 0.9497 0.9294 0.0499 -0.1271 0.0069 401 PHE B CD1 ? ? 1 +7539 C CD2 . PHE B 400 0.3046 0.9477 0.9333 0.0438 -0.1253 0.0047 401 PHE B CD2 ? ? 1 +7540 C CE1 . PHE B 400 0.3253 0.9411 0.9241 0.0442 -0.1204 0.0092 401 PHE B CE1 ? ? 1 +7541 C CE2 . PHE B 400 0.3000 0.9382 0.9269 0.0384 -0.1189 0.0071 401 PHE B CE2 ? ? 1 +7542 C CZ . PHE B 400 0.3081 0.9331 0.9206 0.0387 -0.1166 0.0092 401 PHE B CZ ? ? 1 +7543 C C . PHE B 400 0.3460 1.0010 0.9731 0.0619 -0.1506 -0.0055 401 PHE B C ? ? 1 +7544 O O . PHE B 400 0.3534 1.0036 0.9720 0.0688 -0.1545 -0.0054 401 PHE B O ? ? 1 +7545 N N . TYR B 401 0.3484 1.0182 0.9927 0.0582 -0.1518 -0.0085 402 TYR B N ? ? 1 +7546 C CA . TYR B 401 0.3540 1.0370 1.0103 0.0617 -0.1573 -0.0119 402 TYR B CA ? ? 1 +7547 C CB . TYR B 401 0.3704 1.0616 1.0330 0.0610 -0.1640 -0.0166 402 TYR B CB ? ? 1 +7548 C CG . TYR B 401 0.4036 1.0831 1.0501 0.0644 -0.1684 -0.0171 402 TYR B CG ? ? 1 +7549 C CD1 . TYR B 401 0.4258 1.1011 1.0627 0.0726 -0.1749 -0.0180 402 TYR B CD1 ? ? 1 +7550 C CD2 . TYR B 401 0.4205 1.0924 1.0603 0.0597 -0.1659 -0.0163 402 TYR B CD2 ? ? 1 +7551 C CE1 . TYR B 401 0.4492 1.1128 1.0700 0.0758 -0.1788 -0.0183 402 TYR B CE1 ? ? 1 +7552 C CE2 . TYR B 401 0.4415 1.1020 1.0656 0.0628 -0.1695 -0.0166 402 TYR B CE2 ? ? 1 +7553 C CZ . TYR B 401 0.4565 1.1126 1.0708 0.0709 -0.1759 -0.0175 402 TYR B CZ ? ? 1 +7554 O OH . TYR B 401 0.4691 1.1132 1.0669 0.0739 -0.1794 -0.0178 402 TYR B OH ? ? 1 +7555 C C . TYR B 401 0.3350 1.0293 1.0072 0.0577 -0.1525 -0.0115 402 TYR B C ? ? 1 +7556 O O . TYR B 401 0.3136 1.0114 0.9933 0.0508 -0.1478 -0.0110 402 TYR B O ? ? 1 +7557 N N . GLY B 402 0.3363 1.0360 1.0130 0.0625 -0.1539 -0.0118 403 GLY B N ? ? 1 +7558 C CA . GLY B 402 0.3183 1.0272 1.0081 0.0597 -0.1491 -0.0111 403 GLY B CA ? ? 1 +7559 C C . GLY B 402 0.3087 1.0071 0.9903 0.0579 -0.1417 -0.0063 403 GLY B C ? ? 1 +7560 O O . GLY B 402 0.3120 0.9967 0.9790 0.0584 -0.1401 -0.0038 403 GLY B O ? ? 1 +7561 N N . GLY B 403 0.2954 1.0002 0.9866 0.0561 -0.1372 -0.0053 404 GLY B N ? ? 1 +7562 C CA . GLY B 403 0.2895 0.9860 0.9750 0.0538 -0.1302 -0.0012 404 GLY B CA ? ? 1 +7563 C C . GLY B 403 0.3002 0.9832 0.9698 0.0597 -0.1304 0.0014 404 GLY B C ? ? 1 +7564 O O . GLY B 403 0.3026 0.9837 0.9664 0.0663 -0.1360 0.0001 404 GLY B O ? ? 1 +7565 N N . GLU B 404 0.3072 0.9804 0.9693 0.0570 -0.1242 0.0051 405 GLU B N ? ? 1 +7566 C CA . GLU B 404 0.3193 0.9804 0.9680 0.0617 -0.1231 0.0078 405 GLU B CA ? ? 1 +7567 C CB . GLU B 404 0.3321 0.9888 0.9802 0.0576 -0.1156 0.0111 405 GLU B CB ? ? 1 +7568 C CG . GLU B 404 0.3563 1.0010 0.9936 0.0537 -0.1111 0.0140 405 GLU B CG ? ? 1 +7569 C CD . GLU B 404 0.3787 1.0208 1.0172 0.0500 -0.1044 0.0167 405 GLU B CD ? ? 1 +7570 O OE1 . GLU B 404 0.3845 1.0340 1.0315 0.0510 -0.1036 0.0163 405 GLU B OE1 ? ? 1 +7571 O OE2 . GLU B 404 0.3927 1.0261 1.0240 0.0463 -0.0999 0.0191 405 GLU B OE2 ? ? 1 +7572 C C . GLU B 404 0.3174 0.9651 0.9493 0.0648 -0.1257 0.0087 405 GLU B C ? ? 1 +7573 O O . GLU B 404 0.3306 0.9686 0.9509 0.0702 -0.1266 0.0102 405 GLU B O ? ? 1 +7574 N N . LEU B 405 0.3092 0.9561 0.9397 0.0617 -0.1270 0.0077 406 LEU B N ? ? 1 +7575 C CA . LEU B 405 0.3182 0.9525 0.9326 0.0647 -0.1295 0.0083 406 LEU B CA ? ? 1 +7576 C CB . LEU B 405 0.3153 0.9436 0.9255 0.0585 -0.1252 0.0097 406 LEU B CB ? ? 1 +7577 C CG . LEU B 405 0.3078 0.9301 0.9158 0.0539 -0.1172 0.0132 406 LEU B CG ? ? 1 +7578 C CD1 . LEU B 405 0.3087 0.9241 0.9107 0.0491 -0.1138 0.0144 406 LEU B CD1 ? ? 1 +7579 C CD2 . LEU B 405 0.3143 0.9260 0.9111 0.0582 -0.1154 0.0159 406 LEU B CD2 ? ? 1 +7580 C C . LEU B 405 0.3245 0.9632 0.9390 0.0694 -0.1377 0.0047 406 LEU B C ? ? 1 +7581 O O . LEU B 405 0.3307 0.9602 0.9329 0.0716 -0.1405 0.0046 406 LEU B O ? ? 1 +7582 N N . ASN B 406 0.3271 0.9799 0.9555 0.0712 -0.1416 0.0017 407 ASN B N ? ? 1 +7583 C CA . ASN B 406 0.3322 0.9915 0.9632 0.0754 -0.1498 -0.0023 407 ASN B CA ? ? 1 +7584 C CB . ASN B 406 0.3216 0.9957 0.9676 0.0780 -0.1528 -0.0050 407 ASN B CB ? ? 1 +7585 C CG . ASN B 406 0.3291 1.0102 0.9778 0.0832 -0.1616 -0.0092 407 ASN B CG ? ? 1 +7586 O OD1 . ASN B 406 0.3220 1.0091 0.9761 0.0805 -0.1651 -0.0122 407 ASN B OD1 ? ? 1 +7587 N ND2 . ASN B 406 0.3398 1.0202 0.9850 0.0909 -0.1656 -0.0097 407 ASN B ND2 ? ? 1 +7588 C C . ASN B 406 0.3556 1.0018 0.9686 0.0825 -0.1543 -0.0017 407 ASN B C ? ? 1 +7589 O O . ASN B 406 0.3697 1.0082 0.9740 0.0875 -0.1537 0.0004 407 ASN B O ? ? 1 +7590 N N . GLY B 407 0.3704 1.0135 0.9772 0.0830 -0.1587 -0.0035 408 GLY B N ? ? 1 +7591 C CA . GLY B 407 0.3947 1.0262 0.9846 0.0902 -0.1640 -0.0035 408 GLY B CA ? ? 1 +7592 C C . GLY B 407 0.4137 1.0268 0.9846 0.0893 -0.1597 0.0002 408 GLY B C ? ? 1 +7593 O O . GLY B 407 0.4360 1.0385 0.9918 0.0942 -0.1637 0.0002 408 GLY B O ? ? 1 +7594 N N . GLN B 408 0.4160 1.0255 0.9876 0.0830 -0.1516 0.0032 409 GLN B N ? ? 1 +7595 C CA . GLN B 408 0.4308 1.0237 0.9857 0.0818 -0.1467 0.0067 409 GLN B CA ? ? 1 +7596 C CB . GLN B 408 0.4339 1.0234 0.9900 0.0778 -0.1385 0.0103 409 GLN B CB ? ? 1 +7597 C CG . GLN B 408 0.4510 1.0390 1.0055 0.0830 -0.1388 0.0115 409 GLN B CG ? ? 1 +7598 C CD . GLN B 408 0.4674 1.0513 1.0224 0.0790 -0.1308 0.0149 409 GLN B CD ? ? 1 +7599 O OE1 . GLN B 408 0.5011 1.0735 1.0457 0.0759 -0.1255 0.0177 409 GLN B OE1 ? ? 1 +7600 N NE2 . GLN B 408 0.4693 1.0628 1.0365 0.0786 -0.1296 0.0146 409 GLN B NE2 ? ? 1 +7601 C C . GLN B 408 0.4280 1.0187 0.9804 0.0771 -0.1461 0.0059 409 GLN B C ? ? 1 +7602 O O . GLN B 408 0.4076 1.0095 0.9737 0.0718 -0.1458 0.0038 409 GLN B O ? ? 1 +7603 N N . THR B 409 0.4447 1.0204 0.9790 0.0792 -0.1459 0.0074 410 THR B N ? ? 1 +7604 C CA . THR B 409 0.4478 1.0185 0.9767 0.0752 -0.1443 0.0072 410 THR B CA ? ? 1 +7605 C CB . THR B 409 0.4694 1.0356 0.9882 0.0801 -0.1517 0.0047 410 THR B CB ? ? 1 +7606 O OG1 . THR B 409 0.4728 1.0538 1.0054 0.0814 -0.1587 0.0004 410 THR B OG1 ? ? 1 +7607 C CG2 . THR B 409 0.4796 1.0383 0.9900 0.0765 -0.1497 0.0047 410 THR B CG2 ? ? 1 +7608 C C . THR B 409 0.4534 1.0099 0.9698 0.0725 -0.1364 0.0114 410 THR B C ? ? 1 +7609 O O . THR B 409 0.4662 1.0113 0.9698 0.0765 -0.1351 0.0139 410 THR B O ? ? 1 +7610 N N . PHE B 410 0.4517 1.0090 0.9721 0.0658 -0.1311 0.0120 411 PHE B N ? ? 1 +7611 C CA . PHE B 410 0.4539 0.9991 0.9638 0.0627 -0.1235 0.0155 411 PHE B CA ? ? 1 +7612 C CB . PHE B 410 0.4490 1.0012 0.9717 0.0561 -0.1167 0.0170 411 PHE B CB ? ? 1 +7613 C CG . PHE B 410 0.4643 1.0229 0.9957 0.0573 -0.1163 0.0177 411 PHE B CG ? ? 1 +7614 C CD1 . PHE B 410 0.4885 1.0375 1.0107 0.0595 -0.1129 0.0207 411 PHE B CD1 ? ? 1 +7615 C CD2 . PHE B 410 0.4642 1.0382 1.0126 0.0563 -0.1192 0.0153 411 PHE B CD2 ? ? 1 +7616 C CE1 . PHE B 410 0.4881 1.0426 1.0178 0.0609 -0.1127 0.0212 411 PHE B CE1 ? ? 1 +7617 C CE2 . PHE B 410 0.4655 1.0452 1.0215 0.0577 -0.1187 0.0159 411 PHE B CE2 ? ? 1 +7618 C CZ . PHE B 410 0.4745 1.0443 1.0210 0.0601 -0.1155 0.0189 411 PHE B CZ ? ? 1 +7619 C C . PHE B 410 0.4488 0.9868 0.9492 0.0613 -0.1235 0.0148 411 PHE B C ? ? 1 +7620 O O . PHE B 410 0.4356 0.9818 0.9445 0.0586 -0.1259 0.0120 411 PHE B O ? ? 1 +7621 N N . THR B 411 0.4620 0.9844 0.9445 0.0631 -0.1206 0.0172 412 THR B N ? ? 1 +7622 C CA . THR B 411 0.4732 0.9869 0.9442 0.0627 -0.1204 0.0167 412 THR B CA ? ? 1 +7623 C CB . THR B 411 0.4910 0.9923 0.9437 0.0698 -0.1253 0.0166 412 THR B CB ? ? 1 +7624 O OG1 . THR B 411 0.5051 0.9956 0.9472 0.0721 -0.1214 0.0201 412 THR B OG1 ? ? 1 +7625 C CG2 . THR B 411 0.4959 1.0053 0.9533 0.0751 -0.1347 0.0133 412 THR B CG2 ? ? 1 +7626 C C . THR B 411 0.4711 0.9762 0.9360 0.0578 -0.1117 0.0195 412 THR B C ? ? 1 +7627 O O . THR B 411 0.4684 0.9692 0.9276 0.0560 -0.1107 0.0188 412 THR B O ? ? 1 +7628 N N . ASP B 412 0.4764 0.9790 0.9424 0.0556 -0.1054 0.0225 413 ASP B N ? ? 1 +7629 C CA . ASP B 412 0.4897 0.9844 0.9501 0.0511 -0.0971 0.0251 413 ASP B CA ? ? 1 +7630 C CB . ASP B 412 0.5051 0.9927 0.9608 0.0509 -0.0916 0.0284 413 ASP B CB ? ? 1 +7631 C CG . ASP B 412 0.5085 1.0074 0.9801 0.0482 -0.0901 0.0288 413 ASP B CG ? ? 1 +7632 O OD1 . ASP B 412 0.5225 1.0300 1.0021 0.0512 -0.0957 0.0271 413 ASP B OD1 ? ? 1 +7633 O OD2 . ASP B 412 0.5224 1.0219 0.9986 0.0430 -0.0832 0.0306 413 ASP B OD2 ? ? 1 +7634 C C . ASP B 412 0.4659 0.9715 0.9414 0.0445 -0.0938 0.0241 413 ASP B C ? ? 1 +7635 O O . ASP B 412 0.4376 0.9554 0.9286 0.0422 -0.0942 0.0234 413 ASP B O ? ? 1 +7636 N N . PRO B 413 0.4652 0.9663 0.9359 0.0416 -0.0905 0.0239 414 PRO B N ? ? 1 +7637 C CA . PRO B 413 0.4488 0.9597 0.9327 0.0361 -0.0884 0.0226 414 PRO B CA ? ? 1 +7638 C CB . PRO B 413 0.4579 0.9588 0.9303 0.0347 -0.0842 0.0231 414 PRO B CB ? ? 1 +7639 C CG . PRO B 413 0.4754 0.9635 0.9295 0.0404 -0.0876 0.0233 414 PRO B CG ? ? 1 +7640 C CD . PRO B 413 0.4780 0.9640 0.9298 0.0437 -0.0887 0.0250 414 PRO B CD ? ? 1 +7641 C C . PRO B 413 0.4272 0.9468 0.9254 0.0313 -0.0834 0.0239 414 PRO B C ? ? 1 +7642 O O . PRO B 413 0.4113 0.9428 0.9240 0.0284 -0.0847 0.0223 414 PRO B O ? ? 1 +7643 N N . PRO B 414 0.4236 0.9376 0.9182 0.0301 -0.0775 0.0269 415 PRO B N ? ? 1 +7644 C CA . PRO B 414 0.4073 0.9298 0.9153 0.0258 -0.0734 0.0279 415 PRO B CA ? ? 1 +7645 C CB . PRO B 414 0.4135 0.9260 0.9125 0.0256 -0.0677 0.0310 415 PRO B CB ? ? 1 +7646 C CG . PRO B 414 0.4312 0.9301 0.9129 0.0277 -0.0665 0.0317 415 PRO B CG ? ? 1 +7647 C CD . PRO B 414 0.4394 0.9386 0.9170 0.0324 -0.0743 0.0292 415 PRO B CD ? ? 1 +7648 C C . PRO B 414 0.3879 0.9222 0.9090 0.0268 -0.0781 0.0266 415 PRO B C ? ? 1 +7649 O O . PRO B 414 0.3725 0.9175 0.9076 0.0231 -0.0773 0.0258 415 PRO B O ? ? 1 +7650 N N . THR B 415 0.3972 0.9295 0.9136 0.0319 -0.0829 0.0264 416 THR B N ? ? 1 +7651 C CA . THR B 415 0.3914 0.9350 0.9201 0.0333 -0.0871 0.0250 416 THR B CA ? ? 1 +7652 C CB . THR B 415 0.4030 0.9413 0.9234 0.0395 -0.0912 0.0254 416 THR B CB ? ? 1 +7653 O OG1 . THR B 415 0.4148 0.9404 0.9226 0.0400 -0.0862 0.0284 416 THR B OG1 ? ? 1 +7654 C CG2 . THR B 415 0.3930 0.9419 0.9256 0.0406 -0.0937 0.0247 416 THR B CG2 ? ? 1 +7655 C C . THR B 415 0.3779 0.9325 0.9172 0.0325 -0.0922 0.0217 416 THR B C ? ? 1 +7656 O O . THR B 415 0.3694 0.9357 0.9233 0.0299 -0.0926 0.0208 416 THR B O ? ? 1 +7657 N N . VAL B 416 0.3768 0.9271 0.9082 0.0345 -0.0959 0.0200 417 VAL B N ? ? 1 +7658 C CA . VAL B 416 0.3664 0.9259 0.9066 0.0336 -0.1007 0.0167 417 VAL B CA ? ? 1 +7659 C CB . VAL B 416 0.3814 0.9332 0.9092 0.0367 -0.1050 0.0150 417 VAL B CB ? ? 1 +7660 C CG1 . VAL B 416 0.3786 0.9399 0.9157 0.0354 -0.1101 0.0113 417 VAL B CG1 ? ? 1 +7661 C CG2 . VAL B 416 0.3957 0.9401 0.9115 0.0434 -0.1095 0.0152 417 VAL B CG2 ? ? 1 +7662 C C . VAL B 416 0.3489 0.9154 0.9005 0.0273 -0.0965 0.0165 417 VAL B C ? ? 1 +7663 O O . VAL B 416 0.3356 0.9136 0.9009 0.0251 -0.0986 0.0146 417 VAL B O ? ? 1 +7664 N N . LYS B 417 0.3494 0.9087 0.8950 0.0244 -0.0905 0.0184 418 LYS B N ? ? 1 +7665 C CA . LYS B 417 0.3317 0.8964 0.8869 0.0189 -0.0861 0.0185 418 LYS B CA ? ? 1 +7666 C CB . LYS B 417 0.3420 0.8969 0.8876 0.0170 -0.0798 0.0205 418 LYS B CB ? ? 1 +7667 C CG . LYS B 417 0.3557 0.9026 0.8898 0.0186 -0.0816 0.0191 418 LYS B CG ? ? 1 +7668 C CD . LYS B 417 0.3592 0.8986 0.8866 0.0160 -0.0751 0.0206 418 LYS B CD ? ? 1 +7669 C CE . LYS B 417 0.3761 0.9032 0.8889 0.0181 -0.0716 0.0230 418 LYS B CE ? ? 1 +7670 N NZ . LYS B 417 0.3875 0.9065 0.8919 0.0163 -0.0663 0.0236 418 LYS B NZ ? ? 1 +7671 C C . LYS B 417 0.3102 0.8844 0.8790 0.0161 -0.0838 0.0194 418 LYS B C ? ? 1 +7672 O O . LYS B 417 0.2957 0.8784 0.8762 0.0125 -0.0831 0.0184 418 LYS B O ? ? 1 +7673 N N . SER B 418 0.3065 0.8784 0.8731 0.0181 -0.0824 0.0214 419 SER B N ? ? 1 +7674 C CA . SER B 418 0.2943 0.8744 0.8724 0.0162 -0.0806 0.0223 419 SER B CA ? ? 1 +7675 C CB . SER B 418 0.3101 0.8847 0.8821 0.0191 -0.0795 0.0243 419 SER B CB ? ? 1 +7676 O OG . SER B 418 0.3203 0.8903 0.8903 0.0162 -0.0730 0.0269 419 SER B OG ? ? 1 +7677 C C . SER B 418 0.2777 0.8698 0.8686 0.0162 -0.0854 0.0198 419 SER B C ? ? 1 +7678 O O . SER B 418 0.2649 0.8654 0.8676 0.0124 -0.0835 0.0196 419 SER B O ? ? 1 +7679 N N . TYR B 419 0.2732 0.8662 0.8616 0.0206 -0.0915 0.0180 420 TYR B N ? ? 1 +7680 C CA . TYR B 419 0.2581 0.8629 0.8588 0.0208 -0.0961 0.0154 420 TYR B CA ? ? 1 +7681 C CB . TYR B 419 0.2661 0.8706 0.8624 0.0268 -0.1026 0.0138 420 TYR B CB ? ? 1 +7682 C CG . TYR B 419 0.2660 0.8683 0.8598 0.0301 -0.1018 0.0157 420 TYR B CG ? ? 1 +7683 C CD1 . TYR B 419 0.2555 0.8659 0.8605 0.0284 -0.0995 0.0164 420 TYR B CD1 ? ? 1 +7684 C CD2 . TYR B 419 0.2792 0.8706 0.8586 0.0350 -0.1030 0.0169 420 TYR B CD2 ? ? 1 +7685 C CE1 . TYR B 419 0.2572 0.8649 0.8594 0.0314 -0.0985 0.0181 420 TYR B CE1 ? ? 1 +7686 C CE2 . TYR B 419 0.2821 0.8705 0.8585 0.0381 -0.1020 0.0188 420 TYR B CE2 ? ? 1 +7687 C CZ . TYR B 419 0.2713 0.8680 0.8593 0.0362 -0.0998 0.0193 420 TYR B CZ ? ? 1 +7688 O OH . TYR B 419 0.2781 0.8718 0.8633 0.0392 -0.0988 0.0209 420 TYR B OH ? ? 1 +7689 C C . TYR B 419 0.2482 0.8585 0.8558 0.0171 -0.0972 0.0131 420 TYR B C ? ? 1 +7690 O O . TYR B 419 0.2350 0.8558 0.8557 0.0145 -0.0978 0.0118 420 TYR B O ? ? 1 +7691 N N . ALA B 420 0.2532 0.8562 0.8518 0.0169 -0.0972 0.0126 421 ALA B N ? ? 1 +7692 C CA . ALA B 420 0.2514 0.8584 0.8555 0.0135 -0.0982 0.0104 421 ALA B CA ? ? 1 +7693 C CB . ALA B 420 0.2613 0.8586 0.8528 0.0146 -0.0990 0.0097 421 ALA B CB ? ? 1 +7694 C C . ALA B 420 0.2469 0.8585 0.8604 0.0081 -0.0927 0.0116 421 ALA B C ? ? 1 +7695 O O . ALA B 420 0.2408 0.8602 0.8646 0.0051 -0.0938 0.0098 421 ALA B O ? ? 1 +7696 N N . ARG B 421 0.2494 0.8560 0.8594 0.0069 -0.0869 0.0146 422 ARG B N ? ? 1 +7697 C CA . ARG B 421 0.2419 0.8529 0.8607 0.0024 -0.0820 0.0159 422 ARG B CA ? ? 1 +7698 C CB . ARG B 421 0.2444 0.8488 0.8575 0.0017 -0.0761 0.0190 422 ARG B CB ? ? 1 +7699 C CG . ARG B 421 0.2537 0.8494 0.8572 0.0010 -0.0732 0.0195 422 ARG B CG ? ? 1 +7700 C CD . ARG B 421 0.2521 0.8437 0.8534 -0.0010 -0.0669 0.0221 422 ARG B CD ? ? 1 +7701 N NE . ARG B 421 0.2582 0.8447 0.8530 0.0014 -0.0658 0.0240 422 ARG B NE ? ? 1 +7702 C CZ . ARG B 421 0.2707 0.8472 0.8524 0.0042 -0.0655 0.0248 422 ARG B CZ ? ? 1 +7703 N NH1 . ARG B 421 0.2778 0.8478 0.8510 0.0046 -0.0653 0.0241 422 ARG B NH1 ? ? 1 +7704 N NH2 . ARG B 421 0.2753 0.8477 0.8520 0.0065 -0.0650 0.0264 422 ARG B NH2 ? ? 1 +7705 C C . ARG B 421 0.2364 0.8580 0.8683 0.0012 -0.0827 0.0155 422 ARG B C ? ? 1 +7706 O O . ARG B 421 0.2367 0.8641 0.8778 -0.0025 -0.0808 0.0153 422 ARG B O ? ? 1 +7707 N N . LYS B 422 0.2406 0.8642 0.8728 0.0045 -0.0852 0.0156 423 LYS B N ? ? 1 +7708 C CA . LYS B 422 0.2294 0.8634 0.8739 0.0038 -0.0862 0.0149 423 LYS B CA ? ? 1 +7709 C CB . LYS B 422 0.2373 0.8708 0.8794 0.0079 -0.0874 0.0159 423 LYS B CB ? ? 1 +7710 C CG . LYS B 422 0.2414 0.8671 0.8762 0.0080 -0.0825 0.0190 423 LYS B CG ? ? 1 +7711 C CD . LYS B 422 0.2357 0.8644 0.8774 0.0037 -0.0773 0.0206 423 LYS B CD ? ? 1 +7712 C CE . LYS B 422 0.2461 0.8657 0.8793 0.0023 -0.0724 0.0230 423 LYS B CE ? ? 1 +7713 N NZ . LYS B 422 0.2386 0.8609 0.8778 -0.0012 -0.0676 0.0247 423 LYS B NZ ? ? 1 +7714 C C . LYS B 422 0.2165 0.8588 0.8693 0.0031 -0.0909 0.0116 423 LYS B C ? ? 1 +7715 O O . LYS B 422 0.2129 0.8640 0.8773 0.0006 -0.0904 0.0109 423 LYS B O ? ? 1 +7716 N N . ALA B 423 0.2152 0.8544 0.8620 0.0053 -0.0954 0.0095 424 ALA B N ? ? 1 +7717 C CA . ALA B 423 0.2055 0.8523 0.8596 0.0049 -0.1006 0.0060 424 ALA B CA ? ? 1 +7718 C CB . ALA B 423 0.2144 0.8558 0.8587 0.0087 -0.1059 0.0041 424 ALA B CB ? ? 1 +7719 C C . ALA B 423 0.1961 0.8472 0.8583 -0.0004 -0.0988 0.0049 424 ALA B C ? ? 1 +7720 O O . ALA B 423 0.1899 0.8494 0.8619 -0.0021 -0.1016 0.0024 424 ALA B O ? ? 1 +7721 N N . ILE B 424 0.1934 0.8385 0.8516 -0.0031 -0.0940 0.0068 425 ILE B N ? ? 1 +7722 C CA . ILE B 424 0.1834 0.8315 0.8484 -0.0079 -0.0919 0.0061 425 ILE B CA ? ? 1 +7723 C CB . ILE B 424 0.1864 0.8262 0.8443 -0.0097 -0.0870 0.0081 425 ILE B CB ? ? 1 +7724 C CG1 . ILE B 424 0.1814 0.8201 0.8398 -0.0104 -0.0817 0.0114 425 ILE B CG1 ? ? 1 +7725 C CG2 . ILE B 424 0.1981 0.8283 0.8426 -0.0068 -0.0885 0.0079 425 ILE B CG2 ? ? 1 +7726 C CD1 . ILE B 424 0.1835 0.8152 0.8363 -0.0123 -0.0768 0.0131 425 ILE B CD1 ? ? 1 +7727 C C . ILE B 424 0.1672 0.8244 0.8449 -0.0108 -0.0897 0.0065 425 ILE B C ? ? 1 +7728 O O . ILE B 424 0.1611 0.8228 0.8464 -0.0145 -0.0892 0.0053 425 ILE B O ? ? 1 +7729 N N . PHE B 425 0.1611 0.8203 0.8405 -0.0090 -0.0883 0.0084 426 PHE B N ? ? 1 +7730 C CA . PHE B 425 0.1526 0.8202 0.8432 -0.0112 -0.0863 0.0088 426 PHE B CA ? ? 1 +7731 C CB . PHE B 425 0.1495 0.8152 0.8382 -0.0098 -0.0826 0.0118 426 PHE B CB ? ? 1 +7732 C CG . PHE B 425 0.1510 0.8082 0.8317 -0.0106 -0.0782 0.0144 426 PHE B CG ? ? 1 +7733 C CD1 . PHE B 425 0.1485 0.8037 0.8297 -0.0141 -0.0756 0.0147 426 PHE B CD1 ? ? 1 +7734 C CD2 . PHE B 425 0.1545 0.8060 0.8277 -0.0080 -0.0766 0.0166 426 PHE B CD2 ? ? 1 +7735 C CE1 . PHE B 425 0.1503 0.7986 0.8251 -0.0148 -0.0715 0.0169 426 PHE B CE1 ? ? 1 +7736 C CE2 . PHE B 425 0.1559 0.8004 0.8227 -0.0091 -0.0723 0.0188 426 PHE B CE2 ? ? 1 +7737 C CZ . PHE B 425 0.1523 0.7956 0.8203 -0.0124 -0.0699 0.0188 426 PHE B CZ ? ? 1 +7738 C C . PHE B 425 0.1530 0.8298 0.8520 -0.0100 -0.0908 0.0061 426 PHE B C ? ? 1 +7739 O O . PHE B 425 0.1473 0.8316 0.8559 -0.0115 -0.0893 0.0062 426 PHE B O ? ? 1 +7740 N N . GLY B 426 0.1599 0.8363 0.8554 -0.0071 -0.0961 0.0037 427 GLY B N ? ? 1 +7741 C CA . GLY B 426 0.1632 0.8488 0.8667 -0.0055 -0.1008 0.0009 427 GLY B CA ? ? 1 +7742 C C . GLY B 426 0.1683 0.8530 0.8673 0.0002 -0.1030 0.0015 427 GLY B C ? ? 1 +7743 O O . GLY B 426 0.1771 0.8527 0.8641 0.0035 -0.1035 0.0029 427 GLY B O ? ? 1 +7744 N N . GLU B 427 0.1649 0.8588 0.8732 0.0013 -0.1042 0.0006 428 GLU B N ? ? 1 +7745 C CA . GLU B 427 0.1693 0.8630 0.8741 0.0069 -0.1067 0.0009 428 GLU B CA ? ? 1 +7746 C CB . GLU B 427 0.1622 0.8681 0.8796 0.0078 -0.1087 -0.0012 428 GLU B CB ? ? 1 +7747 C CG . GLU B 427 0.1644 0.8778 0.8880 0.0082 -0.1146 -0.0055 428 GLU B CG ? ? 1 +7748 C CD . GLU B 427 0.1740 0.8824 0.8878 0.0137 -0.1206 -0.0068 428 GLU B CD ? ? 1 +7749 O OE1 . GLU B 427 0.1796 0.8818 0.8846 0.0185 -0.1207 -0.0048 428 GLU B OE1 ? ? 1 +7750 O OE2 . GLU B 427 0.1769 0.8875 0.8917 0.0134 -0.1254 -0.0100 428 GLU B OE2 ? ? 1 +7751 C C . GLU B 427 0.1701 0.8560 0.8674 0.0080 -0.1018 0.0048 428 GLU B C ? ? 1 +7752 O O . GLU B 427 0.1638 0.8500 0.8646 0.0043 -0.0967 0.0067 428 GLU B O ? ? 1 +7753 N N . ILE B 428 0.1823 0.8615 0.8694 0.0132 -0.1038 0.0057 429 ILE B N ? ? 1 +7754 C CA . ILE B 428 0.1867 0.8565 0.8643 0.0143 -0.0996 0.0092 429 ILE B CA ? ? 1 +7755 C CB . ILE B 428 0.1971 0.8556 0.8600 0.0178 -0.1017 0.0097 429 ILE B CB ? ? 1 +7756 C CG1 . ILE B 428 0.1966 0.8518 0.8562 0.0149 -0.1023 0.0086 429 ILE B CG1 ? ? 1 +7757 C CG2 . ILE B 428 0.2011 0.8496 0.8540 0.0189 -0.0973 0.0132 429 ILE B CG2 ? ? 1 +7758 C CD1 . ILE B 428 0.2083 0.8534 0.8537 0.0187 -0.1054 0.0084 429 ILE B CD1 ? ? 1 +7759 C C . ILE B 428 0.1905 0.8635 0.8712 0.0172 -0.0989 0.0102 429 ILE B C ? ? 1 +7760 O O . ILE B 428 0.1989 0.8762 0.8815 0.0215 -0.1033 0.0084 429 ILE B O ? ? 1 +7761 N N . PHE B 429 0.1913 0.8619 0.8721 0.0150 -0.0935 0.0129 430 PHE B N ? ? 1 +7762 C CA . PHE B 429 0.1967 0.8700 0.8807 0.0169 -0.0918 0.0139 430 PHE B CA ? ? 1 +7763 C CB . PHE B 429 0.1842 0.8668 0.8810 0.0125 -0.0885 0.0138 430 PHE B CB ? ? 1 +7764 C CG . PHE B 429 0.1828 0.8769 0.8911 0.0123 -0.0921 0.0105 430 PHE B CG ? ? 1 +7765 C CD1 . PHE B 429 0.1805 0.8777 0.8926 0.0091 -0.0938 0.0086 430 PHE B CD1 ? ? 1 +7766 C CD2 . PHE B 429 0.1789 0.8806 0.8938 0.0155 -0.0940 0.0092 430 PHE B CD2 ? ? 1 +7767 C CE1 . PHE B 429 0.1799 0.8877 0.9027 0.0087 -0.0972 0.0053 430 PHE B CE1 ? ? 1 +7768 C CE2 . PHE B 429 0.1783 0.8911 0.9043 0.0151 -0.0972 0.0060 430 PHE B CE2 ? ? 1 +7769 C CZ . PHE B 429 0.1771 0.8930 0.9071 0.0116 -0.0988 0.0040 430 PHE B CZ ? ? 1 +7770 C C . PHE B 429 0.2175 0.8802 0.8909 0.0181 -0.0882 0.0171 430 PHE B C ? ? 1 +7771 O O . PHE B 429 0.2222 0.8774 0.8888 0.0156 -0.0852 0.0188 430 PHE B O ? ? 1 +7772 N N . GLU B 430 0.2360 0.8983 0.9080 0.0220 -0.0885 0.0177 431 GLU B N ? ? 1 +7773 C CA . GLU B 430 0.2577 0.9113 0.9217 0.0227 -0.0847 0.0205 431 GLU B CA ? ? 1 +7774 C CB . GLU B 430 0.3019 0.9524 0.9604 0.0289 -0.0873 0.0206 431 GLU B CB ? ? 1 +7775 C CG . GLU B 430 0.3409 0.9818 0.9907 0.0297 -0.0834 0.0233 431 GLU B CG ? ? 1 +7776 C CD . GLU B 430 0.3983 1.0264 1.0346 0.0294 -0.0818 0.0252 431 GLU B CD ? ? 1 +7777 O OE1 . GLU B 430 0.4314 1.0567 1.0628 0.0303 -0.0847 0.0243 431 GLU B OE1 ? ? 1 +7778 O OE2 . GLU B 430 0.4706 1.0914 1.1013 0.0280 -0.0775 0.0275 431 GLU B OE2 ? ? 1 +7779 C C . GLU B 430 0.2404 0.8993 0.9130 0.0187 -0.0801 0.0215 431 GLU B C ? ? 1 +7780 O O . GLU B 430 0.2278 0.8963 0.9108 0.0185 -0.0807 0.0202 431 GLU B O ? ? 1 +7781 N N . PHE B 431 0.2313 0.8835 0.8991 0.0155 -0.0755 0.0239 432 PHE B N ? ? 1 +7782 C CA . PHE B 431 0.2156 0.8712 0.8898 0.0117 -0.0711 0.0250 432 PHE B CA ? ? 1 +7783 C CB . PHE B 431 0.2045 0.8606 0.8812 0.0065 -0.0686 0.0254 432 PHE B CB ? ? 1 +7784 C CG . PHE B 431 0.1922 0.8562 0.8772 0.0046 -0.0708 0.0233 432 PHE B CG ? ? 1 +7785 C CD1 . PHE B 431 0.1836 0.8566 0.8796 0.0019 -0.0696 0.0226 432 PHE B CD1 ? ? 1 +7786 C CD2 . PHE B 431 0.1925 0.8545 0.8739 0.0052 -0.0739 0.0220 432 PHE B CD2 ? ? 1 +7787 C CE1 . PHE B 431 0.1791 0.8588 0.8826 -0.0002 -0.0714 0.0206 432 PHE B CE1 ? ? 1 +7788 C CE2 . PHE B 431 0.1896 0.8585 0.8785 0.0030 -0.0759 0.0199 432 PHE B CE2 ? ? 1 +7789 C CZ . PHE B 431 0.1826 0.8604 0.8828 0.0002 -0.0746 0.0192 432 PHE B CZ ? ? 1 +7790 C C . PHE B 431 0.2193 0.8671 0.8863 0.0123 -0.0678 0.0273 432 PHE B C ? ? 1 +7791 O O . PHE B 431 0.2261 0.8643 0.8828 0.0131 -0.0671 0.0286 432 PHE B O ? ? 1 +7792 N N . ASP B 432 0.2167 0.8684 0.8892 0.0118 -0.0656 0.0278 433 ASP B N ? ? 1 +7793 C CA . ASP B 432 0.2263 0.8717 0.8938 0.0110 -0.0618 0.0298 433 ASP B CA ? ? 1 +7794 C CB . ASP B 432 0.2268 0.8760 0.8985 0.0130 -0.0613 0.0297 433 ASP B CB ? ? 1 +7795 C CG . ASP B 432 0.2330 0.8776 0.9019 0.0112 -0.0573 0.0315 433 ASP B CG ? ? 1 +7796 O OD1 . ASP B 432 0.2473 0.8851 0.9104 0.0085 -0.0547 0.0329 433 ASP B OD1 ? ? 1 +7797 O OD2 . ASP B 432 0.2331 0.8811 0.9058 0.0124 -0.0565 0.0313 433 ASP B OD2 ? ? 1 +7798 C C . ASP B 432 0.2245 0.8701 0.8946 0.0055 -0.0581 0.0308 433 ASP B C ? ? 1 +7799 O O . ASP B 432 0.2210 0.8741 0.9000 0.0029 -0.0570 0.0304 433 ASP B O ? ? 1 +7800 N N . THR B 433 0.2345 0.8719 0.8968 0.0040 -0.0561 0.0321 434 THR B N ? ? 1 +7801 C CA . THR B 433 0.2369 0.8741 0.9011 -0.0007 -0.0526 0.0331 434 THR B CA ? ? 1 +7802 C CB . THR B 433 0.2327 0.8644 0.8911 -0.0021 -0.0521 0.0334 434 THR B CB ? ? 1 +7803 O OG1 . THR B 433 0.2435 0.8658 0.8913 0.0002 -0.0519 0.0342 434 THR B OG1 ? ? 1 +7804 C CG2 . THR B 433 0.2324 0.8678 0.8932 -0.0015 -0.0553 0.0318 434 THR B CG2 ? ? 1 +7805 C C . THR B 433 0.2487 0.8818 0.9104 -0.0020 -0.0490 0.0346 434 THR B C ? ? 1 +7806 O O . THR B 433 0.2427 0.8766 0.9070 -0.0056 -0.0463 0.0352 434 THR B O ? ? 1 +7807 N N A GLU B 434 0.2569 0.8856 0.9136 0.0011 -0.0493 0.0350 435 GLU B N ? ? 1 +7808 N N B GLU B 434 0.2704 0.8991 0.9270 0.0011 -0.0493 0.0350 435 GLU B N ? ? 1 +7809 C CA A GLU B 434 0.2572 0.8806 0.9101 0.0000 -0.0462 0.0363 435 GLU B CA ? ? 1 +7810 C CA B GLU B 434 0.2807 0.9042 0.9337 0.0000 -0.0462 0.0363 435 GLU B CA ? ? 1 +7811 C C A GLU B 434 0.2453 0.8748 0.9055 -0.0011 -0.0449 0.0362 435 GLU B C ? ? 1 +7812 C C B GLU B 434 0.2578 0.8874 0.9181 -0.0011 -0.0449 0.0362 435 GLU B C ? ? 1 +7813 O O A GLU B 434 0.2412 0.8704 0.9028 -0.0043 -0.0421 0.0369 435 GLU B O ? ? 1 +7814 O O B GLU B 434 0.2526 0.8818 0.9142 -0.0043 -0.0421 0.0369 435 GLU B O ? ? 1 +7815 C CB A GLU B 434 0.2721 0.8868 0.9153 0.0038 -0.0470 0.0368 435 GLU B CB ? ? 1 +7816 C CB B GLU B 434 0.3175 0.9321 0.9607 0.0037 -0.0468 0.0369 435 GLU B CB ? ? 1 +7817 C CG A GLU B 434 0.2842 0.8889 0.9185 0.0020 -0.0439 0.0382 435 GLU B CG ? ? 1 +7818 C CG B GLU B 434 0.3505 0.9582 0.9887 0.0020 -0.0433 0.0381 435 GLU B CG ? ? 1 +7819 C CD A GLU B 434 0.2865 0.8895 0.9190 -0.0006 -0.0431 0.0383 435 GLU B CD ? ? 1 +7820 C CD B GLU B 434 0.3872 0.9841 1.0142 0.0049 -0.0432 0.0389 435 GLU B CD ? ? 1 +7821 O OE1 A GLU B 434 0.2887 0.8930 0.9206 0.0012 -0.0459 0.0376 435 GLU B OE1 ? ? 1 +7822 O OE1 B GLU B 434 0.4109 1.0007 1.0303 0.0048 -0.0428 0.0395 435 GLU B OE1 ? ? 1 +7823 O OE2 A GLU B 434 0.2884 0.8889 0.9201 -0.0043 -0.0398 0.0390 435 GLU B OE2 ? ? 1 +7824 O OE2 B GLU B 434 0.4153 1.0104 1.0408 0.0074 -0.0434 0.0390 435 GLU B OE2 ? ? 1 +7825 N N . THR B 435 0.2418 0.8770 0.9067 0.0018 -0.0471 0.0352 436 THR B N ? ? 1 +7826 C CA . THR B 435 0.2238 0.8642 0.8947 0.0014 -0.0457 0.0351 436 THR B CA ? ? 1 +7827 C CB . THR B 435 0.2111 0.8591 0.8882 0.0045 -0.0483 0.0337 436 THR B CB ? ? 1 +7828 O OG1 . THR B 435 0.2155 0.8590 0.8866 0.0092 -0.0506 0.0334 436 THR B OG1 ? ? 1 +7829 C CG2 . THR B 435 0.1996 0.8529 0.8827 0.0042 -0.0466 0.0335 436 THR B CG2 ? ? 1 +7830 C C . THR B 435 0.2137 0.8581 0.8903 -0.0032 -0.0433 0.0355 436 THR B C ? ? 1 +7831 O O . THR B 435 0.2170 0.8600 0.8933 -0.0046 -0.0409 0.0361 436 THR B O ? ? 1 +7832 N N . LEU B 436 0.2092 0.8584 0.8908 -0.0053 -0.0439 0.0350 437 LEU B N ? ? 1 +7833 C CA . LEU B 436 0.2050 0.8579 0.8918 -0.0092 -0.0418 0.0353 437 LEU B CA ? ? 1 +7834 C CB . LEU B 436 0.2037 0.8645 0.8984 -0.0100 -0.0431 0.0343 437 LEU B CB ? ? 1 +7835 C CG . LEU B 436 0.2099 0.8768 0.9099 -0.0078 -0.0442 0.0333 437 LEU B CG ? ? 1 +7836 C CD1 . LEU B 436 0.2086 0.8828 0.9164 -0.0095 -0.0449 0.0323 437 LEU B CD1 ? ? 1 +7837 C CD2 . LEU B 436 0.2077 0.8749 0.9085 -0.0078 -0.0419 0.0339 437 LEU B CD2 ? ? 1 +7838 C C . LEU B 436 0.2011 0.8496 0.8844 -0.0120 -0.0404 0.0360 437 LEU B C ? ? 1 +7839 O O . LEU B 436 0.1901 0.8416 0.8775 -0.0150 -0.0391 0.0362 437 LEU B O ? ? 1 +7840 N N . ASN B 437 0.2118 0.8532 0.8875 -0.0110 -0.0405 0.0364 438 ASN B N ? ? 1 +7841 C CA . ASN B 437 0.2208 0.8580 0.8930 -0.0133 -0.0391 0.0369 438 ASN B CA ? ? 1 +7842 C CB . ASN B 437 0.2402 0.8752 0.9118 -0.0161 -0.0361 0.0377 438 ASN B CB ? ? 1 +7843 C CG . ASN B 437 0.2731 0.9032 0.9404 -0.0181 -0.0344 0.0382 438 ASN B CG ? ? 1 +7844 O OD1 . ASN B 437 0.3154 0.9402 0.9764 -0.0168 -0.0349 0.0382 438 ASN B OD1 ? ? 1 +7845 N ND2 . ASN B 437 0.2872 0.9190 0.9576 -0.0212 -0.0323 0.0384 438 ASN B ND2 ? ? 1 +7846 C C . ASN B 437 0.1980 0.8397 0.8748 -0.0149 -0.0400 0.0363 438 ASN B C ? ? 1 +7847 O O . ASN B 437 0.1959 0.8393 0.8757 -0.0179 -0.0383 0.0366 438 ASN B O ? ? 1 +7848 N N . SER B 438 0.1805 0.8243 0.8580 -0.0129 -0.0428 0.0353 439 SER B N ? ? 1 +7849 C CA . SER B 438 0.1616 0.8099 0.8439 -0.0143 -0.0440 0.0344 439 SER B CA ? ? 1 +7850 C CB . SER B 438 0.1616 0.8136 0.8459 -0.0116 -0.0476 0.0330 439 SER B CB ? ? 1 +7851 O OG . SER B 438 0.1576 0.8140 0.8461 -0.0099 -0.0482 0.0327 439 SER B OG ? ? 1 +7852 C C . SER B 438 0.1514 0.7948 0.8289 -0.0157 -0.0431 0.0347 439 SER B C ? ? 1 +7853 O O . SER B 438 0.1556 0.7924 0.8255 -0.0145 -0.0427 0.0352 439 SER B O ? ? 1 +7854 N N . ASP B 439 0.1386 0.7851 0.8203 -0.0181 -0.0426 0.0343 440 ASP B N ? ? 1 +7855 C CA . ASP B 439 0.1348 0.7773 0.8129 -0.0197 -0.0412 0.0346 440 ASP B CA ? ? 1 +7856 C CB . ASP B 439 0.1318 0.7771 0.8147 -0.0227 -0.0388 0.0350 440 ASP B CB ? ? 1 +7857 C CG . ASP B 439 0.1298 0.7816 0.8203 -0.0238 -0.0397 0.0344 440 ASP B CG ? ? 1 +7858 O OD1 . ASP B 439 0.1324 0.7866 0.8248 -0.0230 -0.0421 0.0333 440 ASP B OD1 ? ? 1 +7859 O OD2 . ASP B 439 0.1313 0.7855 0.8256 -0.0256 -0.0380 0.0350 440 ASP B OD2 ? ? 1 +7860 C C . ASP B 439 0.1285 0.7701 0.8046 -0.0190 -0.0433 0.0335 440 ASP B C ? ? 1 +7861 O O . ASP B 439 0.1312 0.7693 0.8039 -0.0200 -0.0421 0.0335 440 ASP B O ? ? 1 +7862 N N . GLY B 440 0.1173 0.7624 0.7959 -0.0173 -0.0465 0.0323 441 GLY B N ? ? 1 +7863 C CA . GLY B 440 0.1146 0.7585 0.7906 -0.0162 -0.0491 0.0310 441 GLY B CA ? ? 1 +7864 C C . GLY B 440 0.1042 0.7520 0.7855 -0.0186 -0.0495 0.0300 441 GLY B C ? ? 1 +7865 O O . GLY B 440 0.1068 0.7531 0.7857 -0.0181 -0.0515 0.0288 441 GLY B O ? ? 1 +7866 N N . ILE B 441 0.0925 0.7447 0.7805 -0.0210 -0.0477 0.0304 442 ILE B N ? ? 1 +7867 C CA . ILE B 441 0.0861 0.7409 0.7786 -0.0234 -0.0476 0.0297 442 ILE B CA ? ? 1 +7868 C CB . ILE B 441 0.0822 0.7354 0.7748 -0.0255 -0.0442 0.0309 442 ILE B CB ? ? 1 +7869 C CG1 . ILE B 441 0.0873 0.7342 0.7725 -0.0249 -0.0425 0.0316 442 ILE B CG1 ? ? 1 +7870 C CG2 . ILE B 441 0.0801 0.7349 0.7762 -0.0275 -0.0441 0.0302 442 ILE B CG2 ? ? 1 +7871 C CD1 . ILE B 441 0.0847 0.7308 0.7708 -0.0268 -0.0389 0.0328 442 ILE B CD1 ? ? 1 +7872 C C . ILE B 441 0.0786 0.7403 0.7791 -0.0242 -0.0487 0.0289 442 ILE B C ? ? 1 +7873 O O . ILE B 441 0.0739 0.7387 0.7780 -0.0243 -0.0476 0.0296 442 ILE B O ? ? 1 +7874 N N . PHE B 442 0.0775 0.7413 0.7807 -0.0250 -0.0508 0.0273 443 PHE B N ? ? 1 +7875 C CA . PHE B 442 0.0733 0.7437 0.7840 -0.0258 -0.0522 0.0261 443 PHE B CA ? ? 1 +7876 C CB . PHE B 442 0.0749 0.7465 0.7871 -0.0266 -0.0549 0.0240 443 PHE B CB ? ? 1 +7877 C CG . PHE B 442 0.0803 0.7497 0.7874 -0.0238 -0.0583 0.0227 443 PHE B CG ? ? 1 +7878 C CD1 . PHE B 442 0.0817 0.7534 0.7888 -0.0209 -0.0605 0.0223 443 PHE B CD1 ? ? 1 +7879 C CD2 . PHE B 442 0.0846 0.7493 0.7864 -0.0237 -0.0596 0.0218 443 PHE B CD2 ? ? 1 +7880 C CE1 . PHE B 442 0.0880 0.7570 0.7896 -0.0179 -0.0639 0.0211 443 PHE B CE1 ? ? 1 +7881 C CE2 . PHE B 442 0.0912 0.7533 0.7874 -0.0209 -0.0629 0.0207 443 PHE B CE2 ? ? 1 +7882 C CZ . PHE B 442 0.0929 0.7571 0.7890 -0.0179 -0.0651 0.0203 443 PHE B CZ ? ? 1 +7883 C C . PHE B 442 0.0672 0.7406 0.7835 -0.0285 -0.0494 0.0271 443 PHE B C ? ? 1 +7884 O O . PHE B 442 0.0676 0.7384 0.7829 -0.0302 -0.0472 0.0280 443 PHE B O ? ? 1 +7885 N N . ARG B 443 0.0628 0.7416 0.7847 -0.0284 -0.0494 0.0268 444 ARG B N ? ? 1 +7886 C CA . ARG B 443 0.0572 0.7391 0.7844 -0.0307 -0.0470 0.0276 444 ARG B CA ? ? 1 +7887 C CB . ARG B 443 0.0562 0.7389 0.7832 -0.0293 -0.0453 0.0290 444 ARG B CB ? ? 1 +7888 C CG . ARG B 443 0.0575 0.7348 0.7787 -0.0289 -0.0435 0.0307 444 ARG B CG ? ? 1 +7889 C CD . ARG B 443 0.0582 0.7349 0.7774 -0.0271 -0.0427 0.0316 444 ARG B CD ? ? 1 +7890 N NE . ARG B 443 0.0585 0.7308 0.7734 -0.0274 -0.0406 0.0331 444 ARG B NE ? ? 1 +7891 C CZ . ARG B 443 0.0619 0.7293 0.7711 -0.0268 -0.0406 0.0334 444 ARG B CZ ? ? 1 +7892 N NH1 . ARG B 443 0.0654 0.7307 0.7716 -0.0258 -0.0425 0.0325 444 ARG B NH1 ? ? 1 +7893 N NH2 . ARG B 443 0.0625 0.7269 0.7690 -0.0273 -0.0385 0.0345 444 ARG B NH2 ? ? 1 +7894 C C . ARG B 443 0.0548 0.7424 0.7889 -0.0322 -0.0482 0.0259 444 ARG B C ? ? 1 +7895 O O . ARG B 443 0.0578 0.7482 0.7934 -0.0309 -0.0511 0.0241 444 ARG B O ? ? 1 +7896 N N . THR B 444 0.0501 0.7393 0.7883 -0.0349 -0.0459 0.0264 445 THR B N ? ? 1 +7897 C CA . THR B 444 0.0480 0.7424 0.7932 -0.0371 -0.0462 0.0249 445 THR B CA ? ? 1 +7898 C CB . THR B 444 0.0474 0.7400 0.7940 -0.0405 -0.0439 0.0254 445 THR B CB ? ? 1 +7899 O OG1 . THR B 444 0.0486 0.7456 0.8014 -0.0428 -0.0448 0.0234 445 THR B OG1 ? ? 1 +7900 C CG2 . THR B 444 0.0447 0.7368 0.7917 -0.0412 -0.0405 0.0275 445 THR B CG2 ? ? 1 +7901 C C . THR B 444 0.0446 0.7446 0.7946 -0.0363 -0.0454 0.0249 445 THR B C ? ? 1 +7902 O O . THR B 444 0.0421 0.7411 0.7897 -0.0345 -0.0440 0.0264 445 THR B O ? ? 1 +7903 N N . SER B 445 0.0432 0.7492 0.8002 -0.0378 -0.0461 0.0231 446 SER B N ? ? 1 +7904 C CA . SER B 445 0.0408 0.7531 0.8035 -0.0371 -0.0452 0.0226 446 SER B CA ? ? 1 +7905 C CB . SER B 445 0.0417 0.7607 0.8110 -0.0372 -0.0481 0.0197 446 SER B CB ? ? 1 +7906 O OG . SER B 445 0.0421 0.7621 0.8154 -0.0412 -0.0476 0.0186 446 SER B OG ? ? 1 +7907 C C . SER B 445 0.0389 0.7519 0.8048 -0.0400 -0.0412 0.0239 446 SER B C ? ? 1 +7908 O O . SER B 445 0.0387 0.7477 0.8027 -0.0425 -0.0395 0.0248 446 SER B O ? ? 1 +7909 N N . PRO B 446 0.0375 0.7558 0.8083 -0.0397 -0.0395 0.0238 447 PRO B N ? ? 1 +7910 C CA . PRO B 446 0.0365 0.7563 0.8110 -0.0428 -0.0356 0.0245 447 PRO B CA ? ? 1 +7911 C CB . PRO B 446 0.0357 0.7623 0.8156 -0.0413 -0.0348 0.0237 447 PRO B CB ? ? 1 +7912 C CG . PRO B 446 0.0355 0.7604 0.8104 -0.0369 -0.0370 0.0242 447 PRO B CG ? ? 1 +7913 C CD . PRO B 446 0.0370 0.7596 0.8093 -0.0362 -0.0408 0.0231 447 PRO B CD ? ? 1 +7914 C C . PRO B 446 0.0371 0.7578 0.8159 -0.0469 -0.0352 0.0233 447 PRO B C ? ? 1 +7915 O O . PRO B 446 0.0386 0.7562 0.8167 -0.0497 -0.0320 0.0246 447 PRO B O ? ? 1 +7916 N N . ARG B 447 0.0368 0.7609 0.8192 -0.0473 -0.0384 0.0207 448 ARG B N ? ? 1 +7917 C CA . ARG B 447 0.0378 0.7623 0.8239 -0.0514 -0.0382 0.0193 448 ARG B CA ? ? 1 +7918 C CB . ARG B 447 0.0388 0.7682 0.8293 -0.0512 -0.0425 0.0161 448 ARG B CB ? ? 1 +7919 C CG . ARG B 447 0.0409 0.7722 0.8369 -0.0558 -0.0423 0.0141 448 ARG B CG ? ? 1 +7920 C CD . ARG B 447 0.0424 0.7784 0.8422 -0.0552 -0.0471 0.0108 448 ARG B CD ? ? 1 +7921 N NE . ARG B 447 0.0410 0.7864 0.8483 -0.0535 -0.0484 0.0089 448 ARG B NE ? ? 1 +7922 C CZ . ARG B 447 0.0404 0.7937 0.8574 -0.0562 -0.0468 0.0071 448 ARG B CZ ? ? 1 +7923 N NH1 . ARG B 447 0.0413 0.7937 0.8614 -0.0612 -0.0431 0.0073 448 ARG B NH1 ? ? 1 +7924 N NH2 . ARG B 447 0.0394 0.8015 0.8630 -0.0539 -0.0488 0.0050 448 ARG B NH2 ? ? 1 +7925 C C . ARG B 447 0.0381 0.7541 0.8175 -0.0527 -0.0375 0.0209 448 ARG B C ? ? 1 +7926 O O . ARG B 447 0.0394 0.7529 0.8195 -0.0561 -0.0350 0.0214 448 ARG B O ? ? 1 +7927 N N . GLY B 448 0.0374 0.7487 0.8100 -0.0499 -0.0396 0.0216 449 GLY B N ? ? 1 +7928 C CA . GLY B 448 0.0381 0.7416 0.8040 -0.0503 -0.0389 0.0232 449 GLY B CA ? ? 1 +7929 C C . GLY B 448 0.0373 0.7374 0.8009 -0.0512 -0.0350 0.0258 449 GLY B C ? ? 1 +7930 O O . GLY B 448 0.0394 0.7357 0.8022 -0.0538 -0.0332 0.0263 449 GLY B O ? ? 1 +7931 N N . TRP B 449 0.0350 0.7361 0.7973 -0.0489 -0.0339 0.0272 450 TRP B N ? ? 1 +7932 C CA . TRP B 449 0.0346 0.7322 0.7939 -0.0492 -0.0306 0.0296 450 TRP B CA ? ? 1 +7933 C CB . TRP B 449 0.0324 0.7310 0.7896 -0.0461 -0.0303 0.0307 450 TRP B CB ? ? 1 +7934 C CG . TRP B 449 0.0317 0.7267 0.7833 -0.0435 -0.0322 0.0313 450 TRP B CG ? ? 1 +7935 C CD1 . TRP B 449 0.0311 0.7275 0.7816 -0.0408 -0.0345 0.0306 450 TRP B CD1 ? ? 1 +7936 N NE1 . TRP B 449 0.0312 0.7228 0.7759 -0.0393 -0.0353 0.0315 450 TRP B NE1 ? ? 1 +7937 C CE2 . TRP B 449 0.0316 0.7191 0.7740 -0.0409 -0.0338 0.0326 450 TRP B CE2 ? ? 1 +7938 C CZ2 . TRP B 449 0.0319 0.7145 0.7692 -0.0403 -0.0338 0.0335 450 TRP B CZ2 ? ? 1 +7939 C CH2 . TRP B 449 0.0326 0.7121 0.7688 -0.0418 -0.0323 0.0344 450 TRP B CH2 ? ? 1 +7940 C CZ3 . TRP B 449 0.0336 0.7138 0.7727 -0.0440 -0.0306 0.0346 450 TRP B CZ3 ? ? 1 +7941 C CE3 . TRP B 449 0.0334 0.7183 0.7776 -0.0450 -0.0303 0.0337 450 TRP B CE3 ? ? 1 +7942 C CD2 . TRP B 449 0.0321 0.7212 0.7783 -0.0434 -0.0319 0.0326 450 TRP B CD2 ? ? 1 +7943 C C . TRP B 449 0.0362 0.7349 0.7993 -0.0524 -0.0275 0.0298 450 TRP B C ? ? 1 +7944 O O . TRP B 449 0.0380 0.7316 0.7978 -0.0537 -0.0253 0.0314 450 TRP B O ? ? 1 +7945 N N . PHE B 450 0.0360 0.7413 0.8059 -0.0535 -0.0271 0.0283 451 PHE B N ? ? 1 +7946 C CA . PHE B 450 0.0380 0.7446 0.8119 -0.0568 -0.0236 0.0284 451 PHE B CA ? ? 1 +7947 C CB . PHE B 450 0.0375 0.7530 0.8203 -0.0579 -0.0237 0.0260 451 PHE B CB ? ? 1 +7948 C CG . PHE B 450 0.0401 0.7568 0.8269 -0.0617 -0.0195 0.0262 451 PHE B CG ? ? 1 +7949 C CD1 . PHE B 450 0.0435 0.7582 0.8322 -0.0657 -0.0188 0.0252 451 PHE B CD1 ? ? 1 +7950 C CD2 . PHE B 450 0.0401 0.7582 0.8274 -0.0614 -0.0159 0.0275 451 PHE B CD2 ? ? 1 +7951 C CE1 . PHE B 450 0.0469 0.7616 0.8386 -0.0696 -0.0145 0.0256 451 PHE B CE1 ? ? 1 +7952 C CE2 . PHE B 450 0.0435 0.7616 0.8335 -0.0650 -0.0116 0.0278 451 PHE B CE2 ? ? 1 +7953 C CZ . PHE B 450 0.0469 0.7633 0.8391 -0.0692 -0.0108 0.0269 451 PHE B CZ ? ? 1 +7954 C C . PHE B 450 0.0415 0.7432 0.8141 -0.0601 -0.0231 0.0283 451 PHE B C ? ? 1 +7955 O O . PHE B 450 0.0443 0.7417 0.8148 -0.0620 -0.0199 0.0298 451 PHE B O ? ? 1 +7956 N N . THR B 451 0.0421 0.7442 0.8159 -0.0606 -0.0262 0.0263 452 THR B N ? ? 1 +7957 C CA . THR B 451 0.0459 0.7438 0.8192 -0.0638 -0.0261 0.0256 452 THR B CA ? ? 1 +7958 C CB . THR B 451 0.0462 0.7464 0.8215 -0.0637 -0.0303 0.0229 452 THR B CB ? ? 1 +7959 O OG1 . THR B 451 0.0448 0.7538 0.8281 -0.0641 -0.0313 0.0207 452 THR B OG1 ? ? 1 +7960 C CG2 . THR B 451 0.0507 0.7461 0.8251 -0.0669 -0.0305 0.0219 452 THR B CG2 ? ? 1 +7961 C C . THR B 451 0.0477 0.7369 0.8131 -0.0631 -0.0250 0.0279 452 THR B C ? ? 1 +7962 O O . THR B 451 0.0515 0.7360 0.8154 -0.0656 -0.0225 0.0288 452 THR B O ? ? 1 +7963 N N . PHE B 452 0.0453 0.7323 0.8058 -0.0596 -0.0270 0.0288 453 PHE B N ? ? 1 +7964 C CA . PHE B 452 0.0465 0.7263 0.8001 -0.0585 -0.0263 0.0308 453 PHE B CA ? ? 1 +7965 C CB . PHE B 452 0.0433 0.7227 0.7931 -0.0548 -0.0282 0.0314 453 PHE B CB ? ? 1 +7966 C CG . PHE B 452 0.0440 0.7173 0.7876 -0.0533 -0.0274 0.0333 453 PHE B CG ? ? 1 +7967 C CD1 . PHE B 452 0.0471 0.7151 0.7877 -0.0540 -0.0277 0.0332 453 PHE B CD1 ? ? 1 +7968 C CD2 . PHE B 452 0.0418 0.7148 0.7828 -0.0512 -0.0265 0.0351 453 PHE B CD2 ? ? 1 +7969 C CE1 . PHE B 452 0.0478 0.7108 0.7833 -0.0523 -0.0271 0.0348 453 PHE B CE1 ? ? 1 +7970 C CE2 . PHE B 452 0.0424 0.7106 0.7785 -0.0497 -0.0261 0.0365 453 PHE B CE2 ? ? 1 +7971 C CZ . PHE B 452 0.0453 0.7088 0.7788 -0.0502 -0.0264 0.0364 453 PHE B CZ ? ? 1 +7972 C C . PHE B 452 0.0480 0.7250 0.7998 -0.0592 -0.0227 0.0330 453 PHE B C ? ? 1 +7973 O O . PHE B 452 0.0520 0.7233 0.8009 -0.0607 -0.0210 0.0339 453 PHE B O ? ? 1 +7974 N N . ALA B 453 0.0455 0.7262 0.7986 -0.0579 -0.0215 0.0338 454 ALA B N ? ? 1 +7975 C CA . ALA B 453 0.0472 0.7249 0.7974 -0.0580 -0.0183 0.0360 454 ALA B CA ? ? 1 +7976 C CB . ALA B 453 0.0443 0.7266 0.7960 -0.0562 -0.0175 0.0365 454 ALA B CB ? ? 1 +7977 C C . ALA B 453 0.0521 0.7276 0.8038 -0.0617 -0.0153 0.0362 454 ALA B C ? ? 1 +7978 O O . ALA B 453 0.0560 0.7253 0.8029 -0.0621 -0.0132 0.0380 454 ALA B O ? ? 1 +7979 N N . HIS B 454 0.0524 0.7330 0.8107 -0.0643 -0.0150 0.0342 455 HIS B N ? ? 1 +7980 C CA . HIS B 454 0.0574 0.7365 0.8178 -0.0683 -0.0117 0.0342 455 HIS B CA ? ? 1 +7981 C CB . HIS B 454 0.0560 0.7438 0.8254 -0.0705 -0.0112 0.0318 455 HIS B CB ? ? 1 +7982 C CG . HIS B 454 0.0535 0.7457 0.8243 -0.0687 -0.0094 0.0327 455 HIS B CG ? ? 1 +7983 N ND1 . HIS B 454 0.0484 0.7452 0.8199 -0.0650 -0.0120 0.0323 455 HIS B ND1 ? ? 1 +7984 C CE1 . HIS B 454 0.0480 0.7468 0.8197 -0.0641 -0.0093 0.0334 455 HIS B CE1 ? ? 1 +7985 N NE2 . HIS B 454 0.0526 0.7483 0.8234 -0.0668 -0.0052 0.0346 455 HIS B NE2 ? ? 1 +7986 C CD2 . HIS B 454 0.0563 0.7474 0.8263 -0.0697 -0.0051 0.0343 455 HIS B CD2 ? ? 1 +7987 C C . HIS B 454 0.0626 0.7348 0.8200 -0.0705 -0.0119 0.0340 455 HIS B C ? ? 1 +7988 O O . HIS B 454 0.0681 0.7347 0.8227 -0.0727 -0.0088 0.0353 455 HIS B O ? ? 1 +7989 N N . ALA B 455 0.0620 0.7341 0.8193 -0.0697 -0.0155 0.0325 456 ALA B N ? ? 1 +7990 C CA . ALA B 455 0.0679 0.7330 0.8216 -0.0712 -0.0158 0.0323 456 ALA B CA ? ? 1 +7991 C CB . ALA B 455 0.0658 0.7322 0.8203 -0.0703 -0.0199 0.0301 456 ALA B CB ? ? 1 +7992 C C . ALA B 455 0.0714 0.7285 0.8170 -0.0690 -0.0147 0.0350 456 ALA B C ? ? 1 +7993 O O . ALA B 455 0.0775 0.7276 0.8195 -0.0706 -0.0128 0.0359 456 ALA B O ? ? 1 +7994 N N . VAL B 456 0.0687 0.7268 0.8116 -0.0652 -0.0157 0.0363 457 VAL B N ? ? 1 +7995 C CA . VAL B 456 0.0725 0.7240 0.8083 -0.0628 -0.0152 0.0385 457 VAL B CA ? ? 1 +7996 C CB . VAL B 456 0.0666 0.7204 0.8005 -0.0588 -0.0173 0.0391 457 VAL B CB ? ? 1 +7997 C CG1 . VAL B 456 0.0688 0.7167 0.7963 -0.0565 -0.0166 0.0413 457 VAL B CG1 ? ? 1 +7998 C CG2 . VAL B 456 0.0636 0.7191 0.7985 -0.0578 -0.0205 0.0373 457 VAL B CG2 ? ? 1 +7999 C C . VAL B 456 0.0791 0.7269 0.8124 -0.0639 -0.0115 0.0405 457 VAL B C ? ? 1 +8000 O O . VAL B 456 0.0857 0.7261 0.8135 -0.0638 -0.0103 0.0420 457 VAL B O ? ? 1 +8001 N N . PHE B 457 0.0791 0.7319 0.8158 -0.0646 -0.0098 0.0407 458 PHE B N ? ? 1 +8002 C CA . PHE B 457 0.0855 0.7348 0.8194 -0.0656 -0.0060 0.0426 458 PHE B CA ? ? 1 +8003 C CB . PHE B 457 0.0831 0.7387 0.8207 -0.0656 -0.0043 0.0426 458 PHE B CB ? ? 1 +8004 C CG . PHE B 457 0.0777 0.7366 0.8140 -0.0617 -0.0062 0.0432 458 PHE B CG ? ? 1 +8005 C CD1 . PHE B 457 0.0777 0.7319 0.8077 -0.0586 -0.0076 0.0447 458 PHE B CD1 ? ? 1 +8006 C CD2 . PHE B 457 0.0730 0.7394 0.8143 -0.0611 -0.0065 0.0421 458 PHE B CD2 ? ? 1 +8007 C CE1 . PHE B 457 0.0732 0.7301 0.8021 -0.0555 -0.0092 0.0450 458 PHE B CE1 ? ? 1 +8008 C CE2 . PHE B 457 0.0687 0.7371 0.8082 -0.0577 -0.0081 0.0426 458 PHE B CE2 ? ? 1 +8009 C CZ . PHE B 457 0.0687 0.7324 0.8021 -0.0551 -0.0094 0.0440 458 PHE B CZ ? ? 1 +8010 C C . PHE B 457 0.0942 0.7385 0.8279 -0.0697 -0.0033 0.0425 458 PHE B C ? ? 1 +8011 O O . PHE B 457 0.1011 0.7381 0.8291 -0.0700 -0.0007 0.0445 458 PHE B O ? ? 1 +8012 N N . ALA B 458 0.0959 0.7440 0.8358 -0.0729 -0.0038 0.0401 459 ALA B N ? ? 1 +8013 C CA . ALA B 458 0.1041 0.7478 0.8446 -0.0773 -0.0011 0.0397 459 ALA B CA ? ? 1 +8014 C CB . ALA B 458 0.1024 0.7524 0.8512 -0.0807 -0.0024 0.0365 459 ALA B CB ? ? 1 +8015 C C . ALA B 458 0.1113 0.7447 0.8442 -0.0767 -0.0014 0.0409 459 ALA B C ? ? 1 +8016 O O . ALA B 458 0.1186 0.7443 0.8469 -0.0785 0.0018 0.0424 459 ALA B O ? ? 1 +8017 N N . LEU B 459 0.1101 0.7430 0.8412 -0.0739 -0.0051 0.0403 460 LEU B N ? ? 1 +8018 C CA . LEU B 459 0.1171 0.7410 0.8415 -0.0727 -0.0058 0.0411 460 LEU B CA ? ? 1 +8019 C CB . LEU B 459 0.1138 0.7398 0.8387 -0.0701 -0.0099 0.0396 460 LEU B CB ? ? 1 +8020 C CG . LEU B 459 0.1209 0.7387 0.8404 -0.0693 -0.0108 0.0396 460 LEU B CG ? ? 1 +8021 C CD1 . LEU B 459 0.1279 0.7417 0.8485 -0.0737 -0.0096 0.0382 460 LEU B CD1 ? ? 1 +8022 C CD2 . LEU B 459 0.1168 0.7372 0.8364 -0.0663 -0.0145 0.0384 460 LEU B CD2 ? ? 1 +8023 C C . LEU B 459 0.1198 0.7372 0.8365 -0.0698 -0.0043 0.0440 460 LEU B C ? ? 1 +8024 O O . LEU B 459 0.1270 0.7355 0.8380 -0.0703 -0.0027 0.0453 460 LEU B O ? ? 1 +8025 N N . LEU B 460 0.1152 0.7368 0.8317 -0.0668 -0.0049 0.0451 461 LEU B N ? ? 1 +8026 C CA . LEU B 460 0.1195 0.7359 0.8291 -0.0640 -0.0037 0.0477 461 LEU B CA ? ? 1 +8027 C CB . LEU B 460 0.1137 0.7365 0.8246 -0.0608 -0.0052 0.0481 461 LEU B CB ? ? 1 +8028 C CG . LEU B 460 0.1092 0.7349 0.8205 -0.0574 -0.0091 0.0472 461 LEU B CG ? ? 1 +8029 C CD1 . LEU B 460 0.1031 0.7341 0.8150 -0.0546 -0.0103 0.0477 461 LEU B CD1 ? ? 1 +8030 C CD2 . LEU B 460 0.1144 0.7328 0.8196 -0.0551 -0.0102 0.0481 461 LEU B CD2 ? ? 1 +8031 C C . LEU B 460 0.1267 0.7379 0.8333 -0.0665 0.0006 0.0493 461 LEU B C ? ? 1 +8032 O O . LEU B 460 0.1333 0.7359 0.8323 -0.0652 0.0019 0.0514 461 LEU B O ? ? 1 +8033 N N . PHE B 461 0.1248 0.7412 0.8373 -0.0701 0.0030 0.0484 462 PHE B N ? ? 1 +8034 C CA . PHE B 461 0.1313 0.7433 0.8414 -0.0729 0.0076 0.0498 462 PHE B CA ? ? 1 +8035 C CB . PHE B 461 0.1281 0.7489 0.8461 -0.0757 0.0097 0.0485 462 PHE B CB ? ? 1 +8036 C CG . PHE B 461 0.1247 0.7493 0.8416 -0.0727 0.0101 0.0498 462 PHE B CG ? ? 1 +8037 C CD1 . PHE B 461 0.1172 0.7464 0.8345 -0.0687 0.0063 0.0495 462 PHE B CD1 ? ? 1 +8038 C CD2 . PHE B 461 0.1301 0.7531 0.8450 -0.0740 0.0144 0.0512 462 PHE B CD2 ? ? 1 +8039 C CE1 . PHE B 461 0.1146 0.7470 0.8309 -0.0661 0.0066 0.0504 462 PHE B CE1 ? ? 1 +8040 C CE2 . PHE B 461 0.1276 0.7536 0.8409 -0.0711 0.0147 0.0522 462 PHE B CE2 ? ? 1 +8041 C CZ . PHE B 461 0.1198 0.7504 0.8339 -0.0672 0.0107 0.0518 462 PHE B CZ ? ? 1 +8042 C C . PHE B 461 0.1395 0.7424 0.8461 -0.0761 0.0096 0.0500 462 PHE B C ? ? 1 +8043 O O . PHE B 461 0.1471 0.7418 0.8473 -0.0770 0.0131 0.0520 462 PHE B O ? ? 1 +8044 N N . PHE B 462 0.1387 0.7421 0.8485 -0.0775 0.0074 0.0479 463 PHE B N ? ? 1 +8045 C CA . PHE B 462 0.1494 0.7430 0.8546 -0.0797 0.0086 0.0481 463 PHE B CA ? ? 1 +8046 C CB . PHE B 462 0.1472 0.7426 0.8561 -0.0803 0.0052 0.0455 463 PHE B CB ? ? 1 +8047 C CG . PHE B 462 0.1583 0.7427 0.8612 -0.0816 0.0058 0.0457 463 PHE B CG ? ? 1 +8048 C CD1 . PHE B 462 0.1677 0.7466 0.8704 -0.0868 0.0095 0.0454 463 PHE B CD1 ? ? 1 +8049 C CD2 . PHE B 462 0.1592 0.7385 0.8567 -0.0776 0.0030 0.0461 463 PHE B CD2 ? ? 1 +8050 C CE1 . PHE B 462 0.1777 0.7455 0.8743 -0.0879 0.0102 0.0457 463 PHE B CE1 ? ? 1 +8051 C CE2 . PHE B 462 0.1692 0.7379 0.8608 -0.0784 0.0036 0.0462 463 PHE B CE2 ? ? 1 +8052 C CZ . PHE B 462 0.1785 0.7412 0.8694 -0.0835 0.0072 0.0461 463 PHE B CZ ? ? 1 +8053 C C . PHE B 462 0.1581 0.7412 0.8527 -0.0761 0.0089 0.0509 463 PHE B C ? ? 1 +8054 O O . PHE B 462 0.1694 0.7428 0.8579 -0.0779 0.0122 0.0524 463 PHE B O ? ? 1 +8055 N N . PHE B 463 0.1534 0.7381 0.8456 -0.0709 0.0055 0.0515 464 PHE B N ? ? 1 +8056 C CA . PHE B 463 0.1604 0.7362 0.8431 -0.0669 0.0052 0.0539 464 PHE B CA ? ? 1 +8057 C CB . PHE B 463 0.1555 0.7352 0.8379 -0.0617 0.0010 0.0537 464 PHE B CB ? ? 1 +8058 C CG . PHE B 463 0.1643 0.7355 0.8376 -0.0574 0.0004 0.0559 464 PHE B CG ? ? 1 +8059 C CD1 . PHE B 463 0.1678 0.7376 0.8364 -0.0550 0.0012 0.0579 464 PHE B CD1 ? ? 1 +8060 C CD2 . PHE B 463 0.1722 0.7359 0.8410 -0.0560 -0.0007 0.0558 464 PHE B CD2 ? ? 1 +8061 C CE1 . PHE B 463 0.1766 0.7385 0.8366 -0.0508 0.0003 0.0598 464 PHE B CE1 ? ? 1 +8062 C CE2 . PHE B 463 0.1805 0.7363 0.8409 -0.0517 -0.0014 0.0578 464 PHE B CE2 ? ? 1 +8063 C CZ . PHE B 463 0.1826 0.7377 0.8387 -0.0491 -0.0010 0.0597 464 PHE B CZ ? ? 1 +8064 C C . PHE B 463 0.1652 0.7368 0.8424 -0.0668 0.0087 0.0564 464 PHE B C ? ? 1 +8065 O O . PHE B 463 0.1760 0.7369 0.8446 -0.0660 0.0105 0.0584 464 PHE B O ? ? 1 +8066 N N . GLY B 464 0.1581 0.7376 0.8398 -0.0672 0.0095 0.0563 465 GLY B N ? ? 1 +8067 C CA . GLY B 464 0.1630 0.7392 0.8402 -0.0676 0.0133 0.0584 465 GLY B CA ? ? 1 +8068 C C . GLY B 464 0.1735 0.7414 0.8473 -0.0721 0.0182 0.0593 465 GLY B C ? ? 1 +8069 O O . GLY B 464 0.1838 0.7430 0.8490 -0.0714 0.0210 0.0618 465 GLY B O ? ? 1 +8070 N N . HIS B 465 0.1718 0.7423 0.8523 -0.0769 0.0193 0.0572 466 HIS B N ? ? 1 +8071 C CA . HIS B 465 0.1814 0.7447 0.8600 -0.0819 0.0241 0.0576 466 HIS B CA ? ? 1 +8072 C CB . HIS B 465 0.1763 0.7470 0.8655 -0.0872 0.0244 0.0545 466 HIS B CB ? ? 1 +8073 C CG . HIS B 465 0.1866 0.7490 0.8740 -0.0926 0.0285 0.0544 466 HIS B CG ? ? 1 +8074 N ND1 . HIS B 465 0.1960 0.7519 0.8786 -0.0952 0.0340 0.0564 466 HIS B ND1 ? ? 1 +8075 C CE1 . HIS B 465 0.2051 0.7540 0.8869 -0.1000 0.0366 0.0557 466 HIS B CE1 ? ? 1 +8076 N NE2 . HIS B 465 0.2017 0.7523 0.8874 -0.1005 0.0329 0.0534 466 HIS B NE2 ? ? 1 +8077 C CD2 . HIS B 465 0.1898 0.7489 0.8788 -0.0956 0.0277 0.0526 466 HIS B CD2 ? ? 1 +8078 C C . HIS B 465 0.1924 0.7418 0.8608 -0.0809 0.0245 0.0593 466 HIS B C ? ? 1 +8079 O O . HIS B 465 0.2026 0.7419 0.8630 -0.0820 0.0284 0.0615 466 HIS B O ? ? 1 +8080 N N . ILE B 466 0.1906 0.7390 0.8589 -0.0787 0.0204 0.0582 467 ILE B N ? ? 1 +8081 C CA . ILE B 466 0.2011 0.7371 0.8598 -0.0764 0.0198 0.0596 467 ILE B CA ? ? 1 +8082 C CB . ILE B 466 0.1953 0.7345 0.8569 -0.0736 0.0148 0.0576 467 ILE B CB ? ? 1 +8083 C CG1 . ILE B 466 0.1932 0.7361 0.8627 -0.0788 0.0147 0.0546 467 ILE B CG1 ? ? 1 +8084 C CG2 . ILE B 466 0.2036 0.7317 0.8553 -0.0692 0.0131 0.0592 467 ILE B CG2 ? ? 1 +8085 C CD1 . ILE B 466 0.2045 0.7383 0.8710 -0.0836 0.0186 0.0548 467 ILE B CD1 ? ? 1 +8086 C C . ILE B 466 0.2067 0.7350 0.8547 -0.0714 0.0200 0.0628 467 ILE B C ? ? 1 +8087 O O . ILE B 466 0.2188 0.7345 0.8573 -0.0713 0.0224 0.0648 467 ILE B O ? ? 1 +8088 N N A TRP B 467 0.1981 0.7337 0.8475 -0.0674 0.0174 0.0631 468 TRP B N ? ? 1 +8089 N N B TRP B 467 0.1983 0.7340 0.8478 -0.0674 0.0174 0.0631 468 TRP B N ? ? 1 +8090 C CA A TRP B 467 0.2036 0.7333 0.8436 -0.0625 0.0171 0.0658 468 TRP B CA ? ? 1 +8091 C CA B TRP B 467 0.2042 0.7339 0.8442 -0.0625 0.0171 0.0658 468 TRP B CA ? ? 1 +8092 C C A TRP B 467 0.2138 0.7365 0.8475 -0.0648 0.0223 0.0680 468 TRP B C ? ? 1 +8093 C C B TRP B 467 0.2140 0.7366 0.8477 -0.0649 0.0223 0.0680 468 TRP B C ? ? 1 +8094 O O A TRP B 467 0.2262 0.7363 0.8492 -0.0635 0.0240 0.0703 468 TRP B O ? ? 1 +8095 O O B TRP B 467 0.2261 0.7362 0.8490 -0.0635 0.0240 0.0703 468 TRP B O ? ? 1 +8096 C CB A TRP B 467 0.1928 0.7326 0.8366 -0.0585 0.0135 0.0653 468 TRP B CB ? ? 1 +8097 C CB B TRP B 467 0.1939 0.7338 0.8377 -0.0585 0.0135 0.0653 468 TRP B CB ? ? 1 +8098 C CG A TRP B 467 0.1990 0.7332 0.8334 -0.0537 0.0129 0.0678 468 TRP B CG ? ? 1 +8099 C CG B TRP B 467 0.2010 0.7352 0.8354 -0.0537 0.0129 0.0678 468 TRP B CG ? ? 1 +8100 C CD1 A TRP B 467 0.2002 0.7355 0.8321 -0.0533 0.0149 0.0691 468 TRP B CD1 ? ? 1 +8101 C CD1 B TRP B 467 0.2025 0.7378 0.8344 -0.0533 0.0149 0.0691 468 TRP B CD1 ? ? 1 +8102 C CD2 A TRP B 467 0.2056 0.7318 0.8316 -0.0486 0.0103 0.0691 468 TRP B CD2 ? ? 1 +8103 C CD2 B TRP B 467 0.2083 0.7346 0.8343 -0.0486 0.0102 0.0691 468 TRP B CD2 ? ? 1 +8104 N NE1 A TRP B 467 0.2071 0.7355 0.8292 -0.0483 0.0134 0.0712 468 TRP B NE1 ? ? 1 +8105 N NE1 B TRP B 467 0.2097 0.7380 0.8318 -0.0483 0.0134 0.0712 468 TRP B NE1 ? ? 1 +8106 C CE2 A TRP B 467 0.2104 0.7335 0.8290 -0.0453 0.0104 0.0712 468 TRP B CE2 ? ? 1 +8107 C CE2 B TRP B 467 0.2133 0.7364 0.8320 -0.0453 0.0104 0.0712 468 TRP B CE2 ? ? 1 +8108 C CE3 A TRP B 467 0.2082 0.7299 0.8322 -0.0463 0.0076 0.0686 468 TRP B CE3 ? ? 1 +8109 C CE3 B TRP B 467 0.2113 0.7332 0.8354 -0.0462 0.0076 0.0686 468 TRP B CE3 ? ? 1 +8110 C CZ2 A TRP B 467 0.2175 0.7334 0.8272 -0.0396 0.0077 0.0727 468 TRP B CZ2 ? ? 1 +8111 C CZ2 B TRP B 467 0.2208 0.7367 0.8305 -0.0396 0.0077 0.0727 468 TRP B CZ2 ? ? 1 +8112 C CZ3 A TRP B 467 0.2148 0.7295 0.8301 -0.0406 0.0052 0.0701 468 TRP B CZ3 ? ? 1 +8113 C CZ3 B TRP B 467 0.2182 0.7331 0.8337 -0.0406 0.0051 0.0701 468 TRP B CZ3 ? ? 1 +8114 C CH2 A TRP B 467 0.2192 0.7312 0.8276 -0.0373 0.0051 0.0721 468 TRP B CH2 ? ? 1 +8115 C CH2 B TRP B 467 0.2227 0.7348 0.8311 -0.0373 0.0051 0.0721 468 TRP B CH2 ? ? 1 +8116 N N . HIS B 468 0.2093 0.7398 0.8494 -0.0682 0.0250 0.0674 469 HIS B N ? ? 1 +8117 C CA . HIS B 468 0.2182 0.7432 0.8531 -0.0706 0.0304 0.0694 469 HIS B CA ? ? 1 +8118 C CB . HIS B 468 0.2090 0.7455 0.8522 -0.0726 0.0319 0.0682 469 HIS B CB ? ? 1 +8119 C CG . HIS B 468 0.2007 0.7430 0.8432 -0.0672 0.0283 0.0686 469 HIS B CG ? ? 1 +8120 N ND1 . HIS B 468 0.2075 0.7426 0.8396 -0.0635 0.0288 0.0712 469 HIS B ND1 ? ? 1 +8121 C CE1 . HIS B 468 0.1985 0.7415 0.8331 -0.0596 0.0251 0.0706 469 HIS B CE1 ? ? 1 +8122 N NE2 . HIS B 468 0.1857 0.7400 0.8314 -0.0607 0.0224 0.0680 469 HIS B NE2 ? ? 1 +8123 C CD2 . HIS B 468 0.1871 0.7411 0.8378 -0.0654 0.0243 0.0667 469 HIS B CD2 ? ? 1 +8124 C C . HIS B 468 0.2307 0.7456 0.8620 -0.0757 0.0352 0.0700 469 HIS B C ? ? 1 +8125 O O . HIS B 468 0.2431 0.7474 0.8647 -0.0760 0.0392 0.0725 469 HIS B O ? ? 1 +8126 N N . GLY B 469 0.2298 0.7468 0.8679 -0.0794 0.0348 0.0677 470 GLY B N ? ? 1 +8127 C CA . GLY B 469 0.2445 0.7508 0.8786 -0.0841 0.0388 0.0680 470 GLY B CA ? ? 1 +8128 C C . GLY B 469 0.2597 0.7506 0.8803 -0.0804 0.0383 0.0705 470 GLY B C ? ? 1 +8129 O O . GLY B 469 0.2740 0.7526 0.8857 -0.0826 0.0429 0.0726 470 GLY B O ? ? 1 +8130 N N . ALA B 470 0.2587 0.7503 0.8776 -0.0747 0.0328 0.0703 471 ALA B N ? ? 1 +8131 C CA . ALA B 470 0.2724 0.7509 0.8791 -0.0701 0.0314 0.0724 471 ALA B CA ? ? 1 +8132 C CB . ALA B 470 0.2637 0.7473 0.8727 -0.0645 0.0251 0.0712 471 ALA B CB ? ? 1 +8133 C C . ALA B 470 0.2857 0.7562 0.8812 -0.0669 0.0334 0.0757 471 ALA B C ? ? 1 +8134 O O . ALA B 470 0.3018 0.7578 0.8859 -0.0666 0.0361 0.0780 471 ALA B O ? ? 1 +8135 N N . ARG B 471 0.2832 0.7625 0.8814 -0.0647 0.0323 0.0759 472 ARG B N ? ? 1 +8136 C CA . ARG B 471 0.2975 0.7697 0.8851 -0.0615 0.0340 0.0788 472 ARG B CA ? ? 1 +8137 C CB . ARG B 471 0.2903 0.7743 0.8828 -0.0591 0.0320 0.0784 472 ARG B CB ? ? 1 +8138 C CG . ARG B 471 0.2830 0.7739 0.8784 -0.0533 0.0253 0.0772 472 ARG B CG ? ? 1 +8139 C CD . ARG B 471 0.2854 0.7768 0.8748 -0.0478 0.0229 0.0787 472 ARG B CD ? ? 1 +8140 N NE . ARG B 471 0.2913 0.7827 0.8781 -0.0496 0.0269 0.0799 472 ARG B NE ? ? 1 +8141 C CZ . ARG B 471 0.3052 0.7877 0.8802 -0.0463 0.0279 0.0825 472 ARG B CZ ? ? 1 +8142 N NH1 . ARG B 471 0.3155 0.7895 0.8807 -0.0407 0.0246 0.0839 472 ARG B NH1 ? ? 1 +8143 N NH2 . ARG B 471 0.3081 0.7905 0.8808 -0.0483 0.0322 0.0835 472 ARG B NH2 ? ? 1 +8144 C C . ARG B 471 0.3128 0.7758 0.8943 -0.0663 0.0411 0.0807 472 ARG B C ? ? 1 +8145 O O . ARG B 471 0.3281 0.7790 0.8967 -0.0639 0.0430 0.0836 472 ARG B O ? ? 1 +8146 N N . THR B 472 0.3115 0.7804 0.9023 -0.0732 0.0449 0.0790 473 THR B N ? ? 1 +8147 C CA . THR B 472 0.3252 0.7863 0.9117 -0.0785 0.0521 0.0804 473 THR B CA ? ? 1 +8148 C CB . THR B 472 0.3146 0.7878 0.9152 -0.0853 0.0550 0.0777 473 THR B CB ? ? 1 +8149 O OG1 . THR B 472 0.2985 0.7863 0.9078 -0.0831 0.0520 0.0763 473 THR B OG1 ? ? 1 +8150 C CG2 . THR B 472 0.3265 0.7937 0.9245 -0.0913 0.0629 0.0788 473 THR B CG2 ? ? 1 +8151 C C . THR B 472 0.3456 0.7898 0.9213 -0.0797 0.0546 0.0821 473 THR B C ? ? 1 +8152 O O . THR B 472 0.3611 0.7922 0.9243 -0.0794 0.0586 0.0851 473 THR B O ? ? 1 +8153 N N . LEU B 473 0.3481 0.7922 0.9282 -0.0810 0.0521 0.0802 474 LEU B N ? ? 1 +8154 C CA . LEU B 473 0.3663 0.7955 0.9384 -0.0834 0.0547 0.0811 474 LEU B CA ? ? 1 +8155 C CB . LEU B 473 0.3602 0.7949 0.9429 -0.0878 0.0534 0.0777 474 LEU B CB ? ? 1 +8156 C CG . LEU B 473 0.3517 0.7997 0.9490 -0.0951 0.0562 0.0749 474 LEU B CG ? ? 1 +8157 C CD1 . LEU B 473 0.3469 0.7995 0.9534 -0.0987 0.0541 0.0716 474 LEU B CD1 ? ? 1 +8158 C CD2 . LEU B 473 0.3630 0.8046 0.9576 -0.1014 0.0640 0.0761 474 LEU B CD2 ? ? 1 +8159 C C . LEU B 473 0.3806 0.7967 0.9389 -0.0764 0.0516 0.0835 474 LEU B C ? ? 1 +8160 O O . LEU B 473 0.3949 0.7956 0.9430 -0.0774 0.0542 0.0850 474 LEU B O ? ? 1 +8161 N N . PHE B 474 0.3785 0.8006 0.9364 -0.0693 0.0459 0.0837 475 PHE B N ? ? 1 +8162 C CA . PHE B 474 0.3935 0.8049 0.9392 -0.0620 0.0423 0.0856 475 PHE B CA ? ? 1 +8163 C CB . PHE B 474 0.3761 0.7944 0.9282 -0.0582 0.0359 0.0833 475 PHE B CB ? ? 1 +8164 C CG . PHE B 474 0.3703 0.7867 0.9273 -0.0625 0.0365 0.0812 475 PHE B CG ? ? 1 +8165 C CD1 . PHE B 474 0.3557 0.7839 0.9263 -0.0686 0.0375 0.0783 475 PHE B CD1 ? ? 1 +8166 C CD2 . PHE B 474 0.3802 0.7828 0.9279 -0.0604 0.0360 0.0821 475 PHE B CD2 ? ? 1 +8167 C CE1 . PHE B 474 0.3546 0.7809 0.9293 -0.0726 0.0378 0.0762 475 PHE B CE1 ? ? 1 +8168 C CE2 . PHE B 474 0.3799 0.7803 0.9316 -0.0645 0.0365 0.0800 475 PHE B CE2 ? ? 1 +8169 C CZ . PHE B 474 0.3667 0.7791 0.9320 -0.0707 0.0374 0.0770 475 PHE B CZ ? ? 1 +8170 C C . PHE B 474 0.4116 0.8225 0.9499 -0.0562 0.0408 0.0879 475 PHE B C ? ? 1 +8171 O O . PHE B 474 0.4165 0.8250 0.9490 -0.0491 0.0359 0.0886 475 PHE B O ? ? 1 +8172 N N . ARG B 475 0.4302 0.8434 0.9686 -0.0593 0.0452 0.0888 476 ARG B N ? ? 1 +8173 C CA . ARG B 475 0.4540 0.8665 0.9850 -0.0544 0.0443 0.0908 476 ARG B CA ? ? 1 +8174 C CB . ARG B 475 0.4812 0.8934 1.0114 -0.0594 0.0509 0.0919 476 ARG B CB ? ? 1 +8175 C CG . ARG B 475 0.5148 0.9255 1.0367 -0.0548 0.0505 0.0940 476 ARG B CG ? ? 1 +8176 C CD . ARG B 475 0.5547 0.9690 1.0794 -0.0601 0.0568 0.0942 476 ARG B CD ? ? 1 +8177 N NE . ARG B 475 0.6101 1.0176 1.1227 -0.0567 0.0585 0.0969 476 ARG B NE ? ? 1 +8178 C CZ . ARG B 475 0.6613 1.0666 1.1713 -0.0606 0.0651 0.0980 476 ARG B CZ ? ? 1 +8179 N NH1 . ARG B 475 0.6596 1.0719 1.1803 -0.0679 0.0702 0.0964 476 ARG B NH1 ? ? 1 +8180 N NH2 . ARG B 475 0.6984 1.0944 1.1947 -0.0570 0.0666 0.1007 476 ARG B NH2 ? ? 1 +8181 C C . ARG B 475 0.4666 0.8630 0.9808 -0.0482 0.0427 0.0938 476 ARG B C ? ? 1 +8182 O O . ARG B 475 0.4593 0.8571 0.9691 -0.0415 0.0382 0.0945 476 ARG B O ? ? 1 +8183 N N . ASP B 476 0.4805 0.8615 0.9854 -0.0504 0.0466 0.0954 477 ASP B N ? ? 1 +8184 C CA . ASP B 476 0.4985 0.8622 0.9860 -0.0449 0.0461 0.0985 477 ASP B CA ? ? 1 +8185 C CB . ASP B 476 0.5120 0.8593 0.9909 -0.0497 0.0522 0.1001 477 ASP B CB ? ? 1 +8186 C CG . ASP B 476 0.5073 0.8554 0.9937 -0.0530 0.0514 0.0978 477 ASP B CG ? ? 1 +8187 O OD1 . ASP B 476 0.4933 0.8572 0.9955 -0.0562 0.0497 0.0946 477 ASP B OD1 ? ? 1 +8188 O OD2 . ASP B 476 0.5208 0.8536 0.9969 -0.0522 0.0525 0.0992 477 ASP B OD2 ? ? 1 +8189 C C . ASP B 476 0.4992 0.8627 0.9847 -0.0371 0.0387 0.0980 477 ASP B C ? ? 1 +8190 O O . ASP B 476 0.5145 0.8670 0.9866 -0.0307 0.0366 0.1003 477 ASP B O ? ? 1 +8191 N N A VAL B 477 0.4850 0.8604 0.9835 -0.0375 0.0348 0.0949 478 VAL B N ? ? 1 +8192 N N B VAL B 477 0.4853 0.8607 0.9837 -0.0375 0.0348 0.0949 478 VAL B N ? ? 1 +8193 C CA A VAL B 477 0.4823 0.8593 0.9806 -0.0305 0.0281 0.0940 478 VAL B CA ? ? 1 +8194 C CA B VAL B 477 0.4828 0.8597 0.9810 -0.0305 0.0281 0.0940 478 VAL B CA ? ? 1 +8195 C C A VAL B 477 0.4645 0.8601 0.9755 -0.0280 0.0227 0.0914 478 VAL B C ? ? 1 +8196 C C B VAL B 477 0.4652 0.8607 0.9760 -0.0279 0.0227 0.0915 478 VAL B C ? ? 1 +8197 O O A VAL B 477 0.4585 0.8594 0.9741 -0.0239 0.0176 0.0897 478 VAL B O ? ? 1 +8198 O O B VAL B 477 0.4593 0.8598 0.9744 -0.0237 0.0175 0.0898 478 VAL B O ? ? 1 +8199 C CB A VAL B 477 0.4839 0.8558 0.9841 -0.0323 0.0280 0.0926 478 VAL B CB ? ? 1 +8200 C CB B VAL B 477 0.4844 0.8563 0.9846 -0.0323 0.0279 0.0926 478 VAL B CB ? ? 1 +8201 C CG1 A VAL B 477 0.5055 0.8566 0.9904 -0.0328 0.0321 0.0954 478 VAL B CG1 ? ? 1 +8202 C CG1 B VAL B 477 0.5059 0.8570 0.9908 -0.0328 0.0321 0.0954 478 VAL B CG1 ? ? 1 +8203 C CG2 A VAL B 477 0.4710 0.8543 0.9861 -0.0400 0.0301 0.0897 478 VAL B CG2 ? ? 1 +8204 C CG2 B VAL B 477 0.4714 0.8548 0.9865 -0.0399 0.0301 0.0897 478 VAL B CG2 ? ? 1 +8205 N N A PHE B 478 0.4595 0.8648 0.9761 -0.0304 0.0242 0.0911 479 PHE B N ? ? 1 +8206 N N B PHE B 478 0.4606 0.8658 0.9771 -0.0305 0.0242 0.0911 479 PHE B N ? ? 1 +8207 C CA A PHE B 478 0.4436 0.8661 0.9722 -0.0288 0.0197 0.0887 479 PHE B CA ? ? 1 +8208 C CA B PHE B 478 0.4447 0.8672 0.9734 -0.0289 0.0198 0.0887 479 PHE B CA ? ? 1 +8209 C C A PHE B 478 0.4473 0.8712 0.9719 -0.0205 0.0133 0.0889 479 PHE B C ? ? 1 +8210 C C B PHE B 478 0.4476 0.8715 0.9724 -0.0206 0.0133 0.0888 479 PHE B C ? ? 1 +8211 O O A PHE B 478 0.4301 0.8664 0.9646 -0.0184 0.0087 0.0865 479 PHE B O ? ? 1 +8212 O O B PHE B 478 0.4303 0.8659 0.9649 -0.0185 0.0087 0.0864 479 PHE B O ? ? 1 +8213 C CB A PHE B 478 0.4351 0.8656 0.9682 -0.0325 0.0228 0.0887 479 PHE B CB ? ? 1 +8214 C CB B PHE B 478 0.4369 0.8673 0.9699 -0.0324 0.0228 0.0888 479 PHE B CB ? ? 1 +8215 C CG A PHE B 478 0.4164 0.8637 0.9608 -0.0308 0.0184 0.0864 479 PHE B CG ? ? 1 +8216 C CG B PHE B 478 0.4194 0.8665 0.9636 -0.0307 0.0185 0.0865 479 PHE B CG ? ? 1 +8217 C CD1 A PHE B 478 0.3997 0.8595 0.9580 -0.0335 0.0167 0.0835 479 PHE B CD1 ? ? 1 +8218 C CD1 B PHE B 478 0.4026 0.8622 0.9607 -0.0334 0.0167 0.0835 479 PHE B CD1 ? ? 1 +8219 C CD2 A PHE B 478 0.4156 0.8655 0.9562 -0.0265 0.0161 0.0872 479 PHE B CD2 ? ? 1 +8220 C CD2 B PHE B 478 0.4193 0.8690 0.9596 -0.0264 0.0161 0.0873 479 PHE B CD2 ? ? 1 +8221 C CE1 A PHE B 478 0.3837 0.8579 0.9517 -0.0320 0.0129 0.0815 479 PHE B CE1 ? ? 1 +8222 C CE1 B PHE B 478 0.3865 0.8607 0.9543 -0.0319 0.0130 0.0816 479 PHE B CE1 ? ? 1 +8223 C CE2 A PHE B 478 0.3987 0.8634 0.9494 -0.0252 0.0123 0.0851 479 PHE B CE2 ? ? 1 +8224 C CE2 B PHE B 478 0.4020 0.8665 0.9524 -0.0252 0.0123 0.0851 479 PHE B CE2 ? ? 1 +8225 C CZ A PHE B 478 0.3837 0.8602 0.9479 -0.0280 0.0109 0.0823 479 PHE B CZ ? ? 1 +8226 C CZ B PHE B 478 0.3867 0.8631 0.9506 -0.0279 0.0109 0.0824 479 PHE B CZ ? ? 1 +8227 N N A SER B 479 0.4727 0.8838 0.9828 -0.0158 0.0131 0.0916 480 SER B N ? ? 1 +8228 N N B SER B 479 0.4725 0.8844 0.9832 -0.0158 0.0130 0.0915 480 SER B N ? ? 1 +8229 C CA A SER B 479 0.4825 0.8944 0.9882 -0.0076 0.0069 0.0916 480 SER B CA ? ? 1 +8230 C CA B SER B 479 0.4832 0.8957 0.9894 -0.0077 0.0068 0.0915 480 SER B CA ? ? 1 +8231 C C A SER B 479 0.4983 0.9028 0.9996 -0.0029 0.0037 0.0916 480 SER B C ? ? 1 +8232 C C B SER B 479 0.4984 0.9039 1.0006 -0.0030 0.0035 0.0914 480 SER B C ? ? 1 +8233 O O A SER B 479 0.5049 0.9112 1.0042 0.0040 -0.0019 0.0912 480 SER B O ? ? 1 +8234 O O B SER B 479 0.5063 0.9151 1.0080 0.0037 -0.0022 0.0907 480 SER B O ? ? 1 +8235 C CB A SER B 479 0.4973 0.8999 0.9894 -0.0041 0.0075 0.0944 480 SER B CB ? ? 1 +8236 C CB B SER B 479 0.4997 0.9025 0.9920 -0.0040 0.0074 0.0943 480 SER B CB ? ? 1 +8237 O OG A SER B 479 0.4941 0.9059 0.9908 -0.0066 0.0089 0.0940 480 SER B OG ? ? 1 +8238 O OG B SER B 479 0.5002 0.9115 0.9965 -0.0066 0.0090 0.0941 480 SER B OG ? ? 1 +8239 N N A GLY B 480 0.5124 0.9088 1.0125 -0.0067 0.0072 0.0918 481 GLY B N ? ? 1 +8240 N N B GLY B 480 0.5116 0.9078 1.0113 -0.0065 0.0071 0.0919 481 GLY B N ? ? 1 +8241 C CA A GLY B 480 0.5266 0.9147 1.0221 -0.0027 0.0048 0.0917 481 GLY B CA ? ? 1 +8242 C CA B GLY B 480 0.5248 0.9124 1.0195 -0.0024 0.0047 0.0919 481 GLY B CA ? ? 1 +8243 C C A GLY B 480 0.5565 0.9262 1.0400 -0.0053 0.0099 0.0941 481 GLY B C ? ? 1 +8244 C C B GLY B 480 0.5545 0.9242 1.0380 -0.0054 0.0100 0.0941 481 GLY B C ? ? 1 +8245 O O A GLY B 480 0.5668 0.9294 1.0441 -0.0094 0.0151 0.0961 481 GLY B O ? ? 1 +8246 O O B GLY B 480 0.5657 0.9288 1.0437 -0.0099 0.0153 0.0960 481 GLY B O ? ? 1 +8247 N N A ILE B 481 0.5809 0.9426 1.0609 -0.0029 0.0086 0.0938 482 ILE B N ? ? 1 +8248 N N B ILE B 481 0.5807 0.9423 1.0606 -0.0029 0.0087 0.0939 482 ILE B N ? ? 1 +8249 C CA A ILE B 481 0.6150 0.9590 1.0842 -0.0057 0.0135 0.0958 482 ILE B CA ? ? 1 +8250 C CA B ILE B 481 0.6164 0.9603 1.0856 -0.0057 0.0135 0.0958 482 ILE B CA ? ? 1 +8251 C C A ILE B 481 0.6555 0.9826 1.1064 0.0001 0.0135 0.0993 482 ILE B C ? ? 1 +8252 C C B ILE B 481 0.6604 0.9874 1.1113 0.0001 0.0135 0.0993 482 ILE B C ? ? 1 +8253 O O A ILE B 481 0.6544 0.9840 1.1017 0.0072 0.0087 0.0998 482 ILE B O ? ? 1 +8254 O O B ILE B 481 0.6595 0.9889 1.1068 0.0074 0.0085 0.0997 482 ILE B O ? ? 1 +8255 C CB A ILE B 481 0.6149 0.9564 1.0875 -0.0058 0.0123 0.0940 482 ILE B CB ? ? 1 +8256 C CB B ILE B 481 0.6151 0.9569 1.0881 -0.0060 0.0124 0.0939 482 ILE B CB ? ? 1 +8257 C CG1 A ILE B 481 0.6197 0.9571 1.0864 0.0036 0.0066 0.0940 482 ILE B CG1 ? ? 1 +8258 C CG1 B ILE B 481 0.6204 0.9584 1.0879 0.0034 0.0066 0.0938 482 ILE B CG1 ? ? 1 +8259 C CG2 A ILE B 481 0.5966 0.9552 1.0868 -0.0109 0.0117 0.0905 482 ILE B CG2 ? ? 1 +8260 C CG2 B ILE B 481 0.5960 0.9550 1.0866 -0.0111 0.0118 0.0904 482 ILE B CG2 ? ? 1 +8261 C CD1 A ILE B 481 0.6207 0.9537 1.0891 0.0039 0.0059 0.0923 482 ILE B CD1 ? ? 1 +8262 C CD1 B ILE B 481 0.6227 0.9550 1.0908 0.0034 0.0063 0.0924 482 ILE B CD1 ? ? 1 +8263 N N A ASP B 482 0.7027 1.0126 1.1421 -0.0032 0.0190 0.1017 483 ASP B N ? ? 1 +8264 N N B ASP B 482 0.7143 1.0241 1.1537 -0.0032 0.0190 0.1016 483 ASP B N ? ? 1 +8265 C CA A ASP B 482 0.7505 1.0422 1.1710 0.0016 0.0200 0.1053 483 ASP B CA ? ? 1 +8266 C CA B ASP B 482 0.7679 1.0595 1.1884 0.0016 0.0200 0.1053 483 ASP B CA ? ? 1 +8267 C C A ASP B 482 0.7722 1.0585 1.1858 0.0114 0.0136 0.1054 483 ASP B C ? ? 1 +8268 C C B ASP B 482 0.7860 1.0724 1.1996 0.0115 0.0136 0.1054 483 ASP B C ? ? 1 +8269 O O A ASP B 482 0.7760 1.0597 1.1916 0.0124 0.0123 0.1041 483 ASP B O ? ? 1 +8270 O O B ASP B 482 0.7918 1.0758 1.2075 0.0127 0.0121 0.1040 483 ASP B O ? ? 1 +8271 C CB A ASP B 482 0.7819 1.0556 1.1922 -0.0043 0.0272 0.1074 483 ASP B CB ? ? 1 +8272 C CB B ASP B 482 0.8082 1.0817 1.2182 -0.0042 0.0272 0.1075 483 ASP B CB ? ? 1 +8273 C CG A ASP B 482 0.8220 1.0756 1.2116 -0.0001 0.0292 0.1115 483 ASP B CG ? ? 1 +8274 C CG B ASP B 482 0.8588 1.1126 1.2483 0.0001 0.0291 0.1115 483 ASP B CG ? ? 1 +8275 O OD1 A ASP B 482 0.8438 1.0983 1.2285 0.0015 0.0295 0.1131 483 ASP B OD1 ? ? 1 +8276 O OD1 B ASP B 482 0.8929 1.1484 1.2780 0.0019 0.0291 0.1130 483 ASP B OD1 ? ? 1 +8277 O OD2 A ASP B 482 0.8489 1.0853 1.2268 0.0016 0.0304 0.1130 483 ASP B OD2 ? ? 1 +8278 O OD2 B ASP B 482 0.8915 1.1276 1.2687 0.0018 0.0305 0.1132 483 ASP B OD2 ? ? 1 +8279 N N A PRO B 483 0.7966 1.0816 1.2022 0.0191 0.0094 0.1068 484 PRO B N ? ? 1 +8280 N N B PRO B 483 0.8060 1.0906 1.2111 0.0191 0.0095 0.1069 484 PRO B N ? ? 1 +8281 C CA A PRO B 483 0.8158 1.0963 1.2150 0.0289 0.0031 0.1068 484 PRO B CA ? ? 1 +8282 C CA B PRO B 483 0.8210 1.1013 1.2199 0.0289 0.0032 0.1068 484 PRO B CA ? ? 1 +8283 C C A PRO B 483 0.8604 1.1194 1.2444 0.0312 0.0052 0.1090 484 PRO B C ? ? 1 +8284 C C B PRO B 483 0.8621 1.1212 1.2463 0.0311 0.0052 0.1089 484 PRO B C ? ? 1 +8285 O O A PRO B 483 0.8591 1.1152 1.2411 0.0379 0.0006 0.1082 484 PRO B O ? ? 1 +8286 O O B PRO B 483 0.8565 1.1133 1.2394 0.0375 0.0008 0.1080 484 PRO B O ? ? 1 +8287 C CB A PRO B 483 0.8131 1.0942 1.2047 0.0351 -0.0004 0.1082 484 PRO B CB ? ? 1 +8288 C CB B PRO B 483 0.8186 1.0990 1.2095 0.0351 -0.0002 0.1084 484 PRO B CB ? ? 1 +8289 C CG A PRO B 483 0.7993 1.0918 1.1991 0.0285 0.0028 0.1078 484 PRO B CG ? ? 1 +8290 C CG B PRO B 483 0.8073 1.0986 1.2059 0.0285 0.0031 0.1081 484 PRO B CG ? ? 1 +8291 C CD A PRO B 483 0.7986 1.0866 1.2011 0.0187 0.0104 0.1082 484 PRO B CD ? ? 1 +8292 C CD B PRO B 483 0.8073 1.0942 1.2088 0.0187 0.0107 0.1084 484 PRO B CD ? ? 1 +8293 N N . GLU B 484 0.9012 1.1449 1.2745 0.0256 0.0121 0.1117 485 GLU B N ? ? 1 +8294 C CA . GLU B 484 0.9671 1.1888 1.3252 0.0266 0.0151 0.1140 485 GLU B CA ? ? 1 +8295 C CB . GLU B 484 1.0244 1.2281 1.3645 0.0254 0.0205 0.1182 485 GLU B CB ? ? 1 +8296 C CG . GLU B 484 1.0566 1.2619 1.3895 0.0312 0.0174 0.1198 485 GLU B CG ? ? 1 +8297 C CD . GLU B 484 1.0969 1.2990 1.4218 0.0431 0.0096 0.1201 485 GLU B CD ? ? 1 +8298 O OE1 . GLU B 484 1.1072 1.3040 1.4305 0.0474 0.0068 0.1194 485 GLU B OE1 ? ? 1 +8299 O OE2 . GLU B 484 1.1228 1.3280 1.4431 0.0482 0.0061 0.1210 485 GLU B OE2 ? ? 1 +8300 C C . GLU B 484 0.9845 1.2033 1.3486 0.0186 0.0199 0.1126 485 GLU B C ? ? 1 +8301 O O . GLU B 484 1.0190 1.2192 1.3708 0.0157 0.0251 0.1149 485 GLU B O ? ? 1 +8302 N N A LEU B 485 0.9760 1.2126 1.3584 0.0151 0.0181 0.1089 486 LEU B N ? ? 1 +8303 N N B LEU B 485 0.9755 1.2121 1.3579 0.0152 0.0181 0.1089 486 LEU B N ? ? 1 +8304 C CA A LEU B 485 0.9771 1.2127 1.3665 0.0074 0.0221 0.1072 486 LEU B CA ? ? 1 +8305 C CA B LEU B 485 0.9733 1.2089 1.3627 0.0074 0.0222 0.1072 486 LEU B CA ? ? 1 +8306 C C A LEU B 485 1.0077 1.2264 1.3861 0.0116 0.0214 0.1078 486 LEU B C ? ? 1 +8307 C C B LEU B 485 1.0068 1.2256 1.3854 0.0116 0.0215 0.1078 486 LEU B C ? ? 1 +8308 O O A LEU B 485 1.0023 1.2238 1.3816 0.0194 0.0156 0.1066 486 LEU B O ? ? 1 +8309 O O B LEU B 485 0.9990 1.2208 1.3785 0.0194 0.0156 0.1066 486 LEU B O ? ? 1 +8310 C CB A LEU B 485 0.9487 1.2069 1.3589 0.0045 0.0192 0.1031 486 LEU B CB ? ? 1 +8311 C CB B LEU B 485 0.9421 1.2003 1.3524 0.0042 0.0194 0.1031 486 LEU B CB ? ? 1 +8312 C CG A LEU B 485 0.9382 1.2005 1.3588 -0.0058 0.0240 0.1011 486 LEU B CG ? ? 1 +8313 C CG B LEU B 485 0.9285 1.1907 1.3490 -0.0062 0.0244 0.1011 486 LEU B CG ? ? 1 +8314 C CD1 A LEU B 485 0.9378 1.2014 1.3597 -0.0138 0.0301 0.1023 486 LEU B CD1 ? ? 1 +8315 C CD1 B LEU B 485 0.9279 1.1917 1.3499 -0.0141 0.0303 0.1023 486 LEU B CD1 ? ? 1 +8316 C CD2 A LEU B 485 0.9152 1.1976 1.3540 -0.0067 0.0201 0.0971 486 LEU B CD2 ? ? 1 +8317 C CD2 B LEU B 485 0.9032 1.1854 1.3420 -0.0072 0.0205 0.0971 486 LEU B CD2 ? ? 1 +8318 N N . SER B 486 1.0353 1.2360 1.4032 0.0064 0.0277 0.1098 487 SER B N ? ? 1 +8319 C CA . SER B 486 1.0621 1.2444 1.4183 0.0094 0.0280 0.1105 487 SER B CA ? ? 1 +8320 C CB . SER B 486 1.0753 1.2375 1.4190 0.0024 0.0360 0.1131 487 SER B CB ? ? 1 +8321 O OG . SER B 486 1.0709 1.2418 1.4268 -0.0088 0.0412 0.1114 487 SER B OG ? ? 1 +8322 C C . SER B 486 1.0635 1.2552 1.4326 0.0083 0.0255 0.1067 487 SER B C ? ? 1 +8323 O O . SER B 486 1.0862 1.2869 1.4676 -0.0005 0.0285 0.1044 487 SER B O ? ? 1 +8324 N N . PRO B 487 1.0456 1.2353 1.4121 0.0170 0.0200 0.1058 488 PRO B N ? ? 1 +8325 C CA . PRO B 487 1.0429 1.2395 1.4199 0.0163 0.0179 0.1022 488 PRO B CA ? ? 1 +8326 C CB . PRO B 487 1.0395 1.2299 1.4087 0.0280 0.0121 0.1024 488 PRO B CB ? ? 1 +8327 C CG . PRO B 487 1.0498 1.2381 1.4100 0.0351 0.0094 0.1051 488 PRO B CG ? ? 1 +8328 C CD . PRO B 487 1.0577 1.2380 1.4108 0.0281 0.0156 0.1080 488 PRO B CD ? ? 1 +8329 C C . PRO B 487 1.0914 1.2760 1.4662 0.0080 0.0235 0.1017 488 PRO B C ? ? 1 +8330 O O . PRO B 487 1.0824 1.2748 1.4680 0.0049 0.0228 0.0984 488 PRO B O ? ? 1 +8331 N N . GLU B 488 1.1459 1.3111 1.5062 0.0046 0.0292 0.1048 489 GLU B N ? ? 1 +8332 C CA . GLU B 488 1.1498 1.3026 1.5072 -0.0042 0.0353 0.1045 489 GLU B CA ? ? 1 +8333 C CB . GLU B 488 1.2304 1.3582 1.5672 -0.0044 0.0404 0.1087 489 GLU B CB ? ? 1 +8334 C CG . GLU B 488 1.2845 1.3953 1.6049 0.0064 0.0369 0.1107 489 GLU B CG ? ? 1 +8335 C CD . GLU B 488 1.3443 1.4307 1.6431 0.0076 0.0412 0.1153 489 GLU B CD ? ? 1 +8336 O OE1 . GLU B 488 1.3757 1.4517 1.6704 -0.0017 0.0485 0.1164 489 GLU B OE1 ? ? 1 +8337 O OE2 . GLU B 488 1.3639 1.4414 1.6499 0.0178 0.0375 0.1177 489 GLU B OE2 ? ? 1 +8338 C C . GLU B 488 1.0673 1.2338 1.4397 -0.0156 0.0393 0.1024 489 GLU B C ? ? 1 +8339 O O . GLU B 488 1.0553 1.2199 1.4326 -0.0225 0.0420 0.1002 489 GLU B O ? ? 1 +8340 N N . GLN B 489 1.0222 1.2024 1.4018 -0.0174 0.0395 0.1029 490 GLN B N ? ? 1 +8341 C CA . GLN B 489 1.0063 1.2007 1.4007 -0.0275 0.0430 0.1008 490 GLN B CA ? ? 1 +8342 C CB . GLN B 489 1.0350 1.2396 1.4324 -0.0282 0.0439 0.1024 490 GLN B CB ? ? 1 +8343 C CG . GLN B 489 1.0415 1.2620 1.4548 -0.0381 0.0472 0.1001 490 GLN B CG ? ? 1 +8344 C CD . GLN B 489 1.0582 1.2887 1.4745 -0.0386 0.0482 0.1015 490 GLN B CD ? ? 1 +8345 O OE1 . GLN B 489 1.1057 1.3370 1.5161 -0.0309 0.0446 0.1033 490 GLN B OE1 ? ? 1 +8346 N NE2 . GLN B 489 1.0430 1.2818 1.4690 -0.0477 0.0528 0.1004 490 GLN B NE2 ? ? 1 +8347 C C . GLN B 489 0.9530 1.1665 1.3655 -0.0291 0.0390 0.0964 490 GLN B C ? ? 1 +8348 O O . GLN B 489 0.9385 1.1593 1.3617 -0.0379 0.0420 0.0940 490 GLN B O ? ? 1 +8349 N N A VAL B 490 0.9304 1.1520 1.3461 -0.0204 0.0324 0.0951 491 VAL B N ? ? 1 +8350 N N B VAL B 490 0.9224 1.1439 1.3380 -0.0204 0.0324 0.0952 491 VAL B N ? ? 1 +8351 C CA A VAL B 490 0.8904 1.1304 1.3225 -0.0209 0.0284 0.0912 491 VAL B CA ? ? 1 +8352 C CA B VAL B 490 0.8750 1.1150 1.3070 -0.0208 0.0284 0.0912 491 VAL B CA ? ? 1 +8353 C C A VAL B 490 0.8826 1.1158 1.3131 -0.0183 0.0264 0.0891 491 VAL B C ? ? 1 +8354 C C B VAL B 490 0.8727 1.1060 1.3032 -0.0183 0.0264 0.0891 491 VAL B C ? ? 1 +8355 O O A VAL B 490 0.8687 1.1147 1.3118 -0.0202 0.0241 0.0857 491 VAL B O ? ? 1 +8356 O O B VAL B 490 0.8595 1.1055 1.3026 -0.0203 0.0242 0.0857 491 VAL B O ? ? 1 +8357 C CB A VAL B 490 0.8706 1.1277 1.3104 -0.0140 0.0227 0.0906 491 VAL B CB ? ? 1 +8358 C CB B VAL B 490 0.8446 1.1015 1.2840 -0.0138 0.0227 0.0908 491 VAL B CB ? ? 1 +8359 C CG1 A VAL B 490 0.8649 1.1298 1.3072 -0.0167 0.0245 0.0923 491 VAL B CG1 ? ? 1 +8360 C CG1 B VAL B 490 0.8359 1.1003 1.2777 -0.0165 0.0246 0.0924 491 VAL B CG1 ? ? 1 +8361 C CG2 A VAL B 490 0.8783 1.1275 1.3076 -0.0029 0.0181 0.0921 491 VAL B CG2 ? ? 1 +8362 C CG2 B VAL B 490 0.8488 1.0974 1.2774 -0.0027 0.0181 0.0922 491 VAL B CG2 ? ? 1 +8363 N N . GLU B 491 0.8853 1.0982 1.2997 -0.0137 0.0271 0.0913 492 GLU B N ? ? 1 +8364 C CA . GLU B 491 0.8946 1.0979 1.3053 -0.0117 0.0260 0.0896 492 GLU B CA ? ? 1 +8365 C CB . GLU B 491 0.9404 1.1268 1.3347 -0.0017 0.0238 0.0921 492 GLU B CB ? ? 1 +8366 C CG . GLU B 491 0.9497 1.1484 1.3485 0.0086 0.0169 0.0913 492 GLU B CG ? ? 1 +8367 C CD . GLU B 491 0.9935 1.1772 1.3766 0.0191 0.0143 0.0939 492 GLU B CD ? ? 1 +8368 O OE1 . GLU B 491 1.0130 1.1789 1.3848 0.0212 0.0155 0.0944 492 GLU B OE1 ? ? 1 +8369 O OE2 . GLU B 491 1.0244 1.2141 1.4062 0.0256 0.0109 0.0954 492 GLU B OE2 ? ? 1 +8370 C C . GLU B 491 0.8876 1.0803 1.2968 -0.0217 0.0317 0.0888 492 GLU B C ? ? 1 +8371 O O . GLU B 491 0.8981 1.0840 1.3030 -0.0282 0.0370 0.0907 492 GLU B O ? ? 1 +8372 N N A TRP B 492 0.8825 1.0740 1.2953 -0.0229 0.0307 0.0857 493 TRP B N ? ? 1 +8373 N N B TRP B 492 0.8754 1.0665 1.2878 -0.0228 0.0307 0.0858 493 TRP B N ? ? 1 +8374 C CA A TRP B 492 0.8791 1.0636 1.2932 -0.0327 0.0353 0.0840 493 TRP B CA ? ? 1 +8375 C CA B TRP B 492 0.8653 1.0496 1.2793 -0.0326 0.0353 0.0840 493 TRP B CA ? ? 1 +8376 C C A TRP B 492 0.9165 1.0747 1.3126 -0.0334 0.0395 0.0864 493 TRP B C ? ? 1 +8377 C C B TRP B 492 0.9091 1.0672 1.3052 -0.0333 0.0395 0.0864 493 TRP B C ? ? 1 +8378 O O A TRP B 492 0.9260 1.0714 1.3100 -0.0248 0.0373 0.0879 493 TRP B O ? ? 1 +8379 O O B TRP B 492 0.9177 1.0629 1.3014 -0.0248 0.0373 0.0880 493 TRP B O ? ? 1 +8380 C CB A TRP B 492 0.8583 1.0517 1.2829 -0.0336 0.0323 0.0797 493 TRP B CB ? ? 1 +8381 C CB B TRP B 492 0.8363 1.0297 1.2609 -0.0336 0.0322 0.0796 493 TRP B CB ? ? 1 +8382 C CG A TRP B 492 0.8226 1.0407 1.2656 -0.0361 0.0295 0.0769 493 TRP B CG ? ? 1 +8383 C CG B TRP B 492 0.7917 1.0097 1.2345 -0.0359 0.0295 0.0769 493 TRP B CG ? ? 1 +8384 C CD1 A TRP B 492 0.8083 1.0369 1.2635 -0.0453 0.0314 0.0741 493 TRP B CD1 ? ? 1 +8385 C CD1 B TRP B 492 0.7734 1.0020 1.2285 -0.0452 0.0313 0.0742 493 TRP B CD1 ? ? 1 +8386 C CD2 A TRP B 492 0.8011 1.0359 1.2520 -0.0290 0.0243 0.0764 493 TRP B CD2 ? ? 1 +8387 C CD2 B TRP B 492 0.7649 0.9996 1.2156 -0.0288 0.0243 0.0765 493 TRP B CD2 ? ? 1 +8388 N NE1 A TRP B 492 0.7847 1.0350 1.2543 -0.0442 0.0277 0.0722 493 TRP B NE1 ? ? 1 +8389 N NE1 B TRP B 492 0.7472 0.9976 1.2167 -0.0441 0.0276 0.0723 493 TRP B NE1 ? ? 1 +8390 C CE2 A TRP B 492 0.7790 1.0334 1.2463 -0.0345 0.0235 0.0736 493 TRP B CE2 ? ? 1 +8391 C CE2 B TRP B 492 0.7398 0.9942 1.2070 -0.0343 0.0234 0.0736 493 TRP B CE2 ? ? 1 +8392 C CE3 A TRP B 492 0.8028 1.0381 1.2487 -0.0185 0.0202 0.0781 493 TRP B CE3 ? ? 1 +8393 C CE3 B TRP B 492 0.7659 1.0009 1.2115 -0.0183 0.0201 0.0781 493 TRP B CE3 ? ? 1 +8394 C CZ2 A TRP B 492 0.7606 1.0341 1.2387 -0.0301 0.0190 0.0725 493 TRP B CZ2 ? ? 1 +8395 C CZ2 B TRP B 492 0.7182 0.9915 1.1961 -0.0299 0.0190 0.0726 493 TRP B CZ2 ? ? 1 +8396 C CZ3 A TRP B 492 0.7862 1.0412 1.2437 -0.0144 0.0158 0.0768 493 TRP B CZ3 ? ? 1 +8397 C CZ3 B TRP B 492 0.7479 1.0026 1.2051 -0.0142 0.0157 0.0768 493 TRP B CZ3 ? ? 1 +8398 C CH2 A TRP B 492 0.7652 1.0386 1.2383 -0.0203 0.0154 0.0741 493 TRP B CH2 ? ? 1 +8399 C CH2 B TRP B 492 0.7247 0.9978 1.1975 -0.0201 0.0153 0.0742 493 TRP B CH2 ? ? 1 +8400 N N . GLY B 493 0.9337 1.0842 1.3287 -0.0436 0.0456 0.0865 494 GLY B N ? ? 1 +8401 C CA . GLY B 493 0.9678 1.0931 1.3466 -0.0460 0.0504 0.0885 494 GLY B CA ? ? 1 +8402 C C . GLY B 493 0.9924 1.1038 1.3579 -0.0471 0.0553 0.0930 494 GLY B C ? ? 1 +8403 O O . GLY B 493 1.0381 1.1352 1.3968 -0.0549 0.0615 0.0939 494 GLY B O ? ? 1 +8404 N N . PHE B 494 0.9752 1.0906 1.3369 -0.0393 0.0527 0.0957 495 PHE B N ? ? 1 +8405 C CA . PHE B 494 0.9823 1.0833 1.3293 -0.0385 0.0567 0.1003 495 PHE B CA ? ? 1 +8406 C CB . PHE B 494 0.9827 1.0939 1.3295 -0.0293 0.0520 0.1022 495 PHE B CB ? ? 1 +8407 C CG . PHE B 494 1.0151 1.1201 1.3534 -0.0171 0.0460 0.1028 495 PHE B CG ? ? 1 +8408 C CD1 . PHE B 494 1.0383 1.1190 1.3561 -0.0116 0.0472 0.1061 495 PHE B CD1 ? ? 1 +8409 C CD2 . PHE B 494 1.0100 1.1328 1.3606 -0.0112 0.0393 0.0999 495 PHE B CD2 ? ? 1 +8410 C CE1 . PHE B 494 1.0509 1.1263 1.3614 -0.0001 0.0415 0.1063 495 PHE B CE1 ? ? 1 +8411 C CE2 . PHE B 494 1.0137 1.1313 1.3572 -0.0001 0.0339 0.1001 495 PHE B CE2 ? ? 1 +8412 C CZ . PHE B 494 1.0353 1.1295 1.3590 0.0056 0.0350 0.1033 495 PHE B CZ ? ? 1 +8413 C C . PHE B 494 0.9649 1.0658 1.3152 -0.0502 0.0640 0.1008 495 PHE B C ? ? 1 +8414 O O . PHE B 494 0.9827 1.0638 1.3190 -0.0537 0.0698 0.1036 495 PHE B O ? ? 1 +8415 N N . TYR B 495 0.9309 1.0540 1.2997 -0.0560 0.0635 0.0981 496 TYR B N ? ? 1 +8416 C CA . TYR B 495 0.9319 1.0588 1.3073 -0.0673 0.0699 0.0978 496 TYR B CA ? ? 1 +8417 C CB . TYR B 495 0.9268 1.0741 1.3134 -0.0671 0.0688 0.0980 496 TYR B CB ? ? 1 +8418 C CG . TYR B 495 0.9444 1.0870 1.3194 -0.0587 0.0674 0.1021 496 TYR B CG ? ? 1 +8419 C CD1 . TYR B 495 0.9775 1.0967 1.3318 -0.0535 0.0690 0.1059 496 TYR B CD1 ? ? 1 +8420 C CD2 . TYR B 495 0.9393 1.1004 1.3235 -0.0558 0.0644 0.1021 496 TYR B CD2 ? ? 1 +8421 C CE1 . TYR B 495 0.9963 1.1111 1.3396 -0.0455 0.0674 0.1094 496 TYR B CE1 ? ? 1 +8422 C CE2 . TYR B 495 0.9555 1.1125 1.3291 -0.0481 0.0628 0.1056 496 TYR B CE2 ? ? 1 +8423 C CZ . TYR B 495 0.9868 1.1207 1.3400 -0.0429 0.0642 0.1092 496 TYR B CZ ? ? 1 +8424 O OH . TYR B 495 1.0048 1.1341 1.3468 -0.0352 0.0624 0.1126 496 TYR B OH ? ? 1 +8425 C C . TYR B 495 0.9034 1.0369 1.2915 -0.0761 0.0710 0.0933 496 TYR B C ? ? 1 +8426 O O . TYR B 495 0.8949 1.0416 1.2940 -0.0738 0.0656 0.0900 496 TYR B O ? ? 1 +8427 N N . GLN B 496 0.8918 1.0160 1.2783 -0.0864 0.0779 0.0932 497 GLN B N ? ? 1 +8428 C CA . GLN B 496 0.8807 1.0113 1.2796 -0.0957 0.0792 0.0889 497 GLN B CA ? ? 1 +8429 C CB . GLN B 496 0.9210 1.0353 1.3132 -0.1060 0.0875 0.0895 497 GLN B CB ? ? 1 +8430 C CG . GLN B 496 0.9657 1.0518 1.3367 -0.1031 0.0901 0.0924 497 GLN B CG ? ? 1 +8431 C CD . GLN B 496 1.0063 1.0767 1.3705 -0.1136 0.0990 0.0935 497 GLN B CD ? ? 1 +8432 O OE1 . GLN B 496 1.0236 1.0942 1.3953 -0.1230 0.1017 0.0901 497 GLN B OE1 ? ? 1 +8433 N NE2 . GLN B 496 1.0279 1.0844 1.3777 -0.1123 0.1038 0.0982 497 GLN B NE2 ? ? 1 +8434 C C . GLN B 496 0.8329 0.9905 1.2526 -0.0996 0.0773 0.0859 497 GLN B C ? ? 1 +8435 O O . GLN B 496 0.8254 0.9959 1.2577 -0.1007 0.0732 0.0819 497 GLN B O ? ? 1 +8436 N N . LYS B 497 0.8012 0.9660 1.2234 -0.1015 0.0802 0.0880 498 LYS B N ? ? 1 +8437 C CA . LYS B 497 0.7568 0.9460 1.1971 -0.1043 0.0786 0.0858 498 LYS B CA ? ? 1 +8438 C CB . LYS B 497 0.7486 0.9390 1.1920 -0.1136 0.0860 0.0866 498 LYS B CB ? ? 1 +8439 C CG . LYS B 497 0.7201 0.9354 1.1826 -0.1174 0.0850 0.0841 498 LYS B CG ? ? 1 +8440 C CD . LYS B 497 0.7246 0.9408 1.1899 -0.1262 0.0926 0.0849 498 LYS B CD ? ? 1 +8441 C CE . LYS B 497 0.7003 0.9413 1.1849 -0.1298 0.0915 0.0822 498 LYS B CE ? ? 1 +8442 N NZ . LYS B 497 0.7003 0.9426 1.1883 -0.1384 0.0992 0.0828 498 LYS B NZ ? ? 1 +8443 C C . LYS B 497 0.7403 0.9404 1.1811 -0.0942 0.0730 0.0874 498 LYS B C ? ? 1 +8444 O O . LYS B 497 0.7389 0.9290 1.1668 -0.0886 0.0739 0.0914 498 LYS B O ? ? 1 +8445 N N . VAL B 498 0.7183 0.9388 1.1741 -0.0920 0.0673 0.0843 499 VAL B N ? ? 1 +8446 C CA . VAL B 498 0.7054 0.9377 1.1636 -0.0829 0.0615 0.0852 499 VAL B CA ? ? 1 +8447 C CB . VAL B 498 0.6844 0.9378 1.1596 -0.0822 0.0559 0.0811 499 VAL B CB ? ? 1 +8448 C CG1 . VAL B 498 0.6703 0.9371 1.1491 -0.0737 0.0504 0.0819 499 VAL B CG1 ? ? 1 +8449 C CG2 . VAL B 498 0.6929 0.9409 1.1676 -0.0810 0.0529 0.0785 499 VAL B CG2 ? ? 1 +8450 C C . VAL B 498 0.7108 0.9483 1.1685 -0.0831 0.0642 0.0879 499 VAL B C ? ? 1 +8451 O O . VAL B 498 0.6959 0.9430 1.1633 -0.0906 0.0678 0.0868 499 VAL B O ? ? 1 +8452 N N . GLY B 499 0.7344 0.9650 1.1804 -0.0745 0.0623 0.0913 500 GLY B N ? ? 1 +8453 C CA . GLY B 499 0.7435 0.9784 1.1875 -0.0732 0.0640 0.0939 500 GLY B CA ? ? 1 +8454 C C . GLY B 499 0.7790 0.9970 1.2101 -0.0777 0.0716 0.0973 500 GLY B C ? ? 1 +8455 O O . GLY B 499 0.7975 1.0158 1.2238 -0.0759 0.0733 0.0999 500 GLY B O ? ? 1 +8456 N N . ASP B 500 0.7950 0.9981 1.2204 -0.0839 0.0764 0.0971 501 ASP B N ? ? 1 +8457 C CA . ASP B 500 0.8168 1.0035 1.2306 -0.0894 0.0844 0.1000 501 ASP B CA ? ? 1 +8458 C CB . ASP B 500 0.8258 1.0128 1.2482 -0.1013 0.0900 0.0973 501 ASP B CB ? ? 1 +8459 C CG . ASP B 500 0.8504 1.0259 1.2658 -0.1091 0.0991 0.0996 501 ASP B CG ? ? 1 +8460 O OD1 . ASP B 500 0.8604 1.0192 1.2585 -0.1052 0.1019 0.1039 501 ASP B OD1 ? ? 1 +8461 O OD2 . ASP B 500 0.8703 1.0540 1.2977 -0.1189 0.1034 0.0971 501 ASP B OD2 ? ? 1 +8462 C C . ASP B 500 0.8440 1.0060 1.2363 -0.0833 0.0849 0.1036 501 ASP B C ? ? 1 +8463 O O . ASP B 500 0.8481 0.9983 1.2353 -0.0833 0.0844 0.1027 501 ASP B O ? ? 1 +8464 N N . VAL B 501 0.8560 1.0097 1.2352 -0.0778 0.0858 0.1076 502 VAL B N ? ? 1 +8465 C CA . VAL B 501 0.8744 1.0056 1.2326 -0.0703 0.0853 0.1112 502 VAL B CA ? ? 1 +8466 C CB . VAL B 501 0.8801 1.0118 1.2294 -0.0608 0.0820 0.1144 502 VAL B CB ? ? 1 +8467 C CG1 . VAL B 501 0.8779 1.0172 1.2303 -0.0652 0.0866 0.1157 502 VAL B CG1 ? ? 1 +8468 C CG2 . VAL B 501 0.9032 1.0103 1.2294 -0.0531 0.0818 0.1184 502 VAL B CG2 ? ? 1 +8469 C C . VAL B 501 0.8935 1.0012 1.2376 -0.0768 0.0935 0.1134 502 VAL B C ? ? 1 +8470 O O . VAL B 501 0.9096 0.9968 1.2370 -0.0720 0.0933 0.1157 502 VAL B O ? ? 1 +8471 N N . THR B 502 0.8945 1.0053 1.2457 -0.0879 0.1006 0.1126 503 THR B N ? ? 1 +8472 C CA . THR B 502 0.9149 1.0047 1.2546 -0.0956 0.1090 0.1142 503 THR B CA ? ? 1 +8473 C CB . THR B 502 0.9076 1.0041 1.2555 -0.1065 0.1170 0.1139 503 THR B CB ? ? 1 +8474 O OG1 . THR B 502 0.8877 1.0036 1.2570 -0.1143 0.1164 0.1090 503 THR B OG1 ? ? 1 +8475 C CG2 . THR B 502 0.8938 0.9995 1.2415 -0.1032 0.1174 0.1162 503 THR B CG2 ? ? 1 +8476 C C . THR B 502 0.9247 1.0069 1.2663 -0.0998 0.1090 0.1114 503 THR B C ? ? 1 +8477 O O . THR B 502 0.9479 1.0125 1.2806 -0.1066 0.1157 0.1123 503 THR B O ? ? 1 +8478 N N . THR B 503 0.9238 1.0189 1.2765 -0.0959 0.1016 0.1080 504 THR B N ? ? 1 +8479 C CA . THR B 503 0.9398 1.0297 1.2954 -0.0994 0.1008 0.1049 504 THR B CA ? ? 1 +8480 C CB . THR B 503 0.9109 1.0253 1.2900 -0.1054 0.0981 0.0997 504 THR B CB ? ? 1 +8481 O OG1 . THR B 503 0.8791 1.0114 1.2668 -0.0969 0.0903 0.0987 504 THR B OG1 ? ? 1 +8482 C CG2 . THR B 503 0.9022 1.0289 1.2935 -0.1155 0.1039 0.0987 504 THR B CG2 ? ? 1 +8483 C C . THR B 503 0.9734 1.0535 1.3189 -0.0888 0.0943 0.1054 504 THR B C ? ? 1 +8484 O O . THR B 503 0.9731 1.0592 1.3268 -0.0885 0.0902 0.1019 504 THR B O ? ? 1 +8485 N N . ARG B 504 1.0212 1.0866 1.3489 -0.0799 0.0934 0.1097 505 ARG B N ? ? 1 +8486 C CA . ARG B 504 1.0601 1.1151 1.3771 -0.0694 0.0876 0.1104 505 ARG B CA ? ? 1 +8487 C CB . ARG B 504 1.1104 1.1563 1.4117 -0.0588 0.0855 0.1148 505 ARG B CB ? ? 1 +8488 C CG . ARG B 504 1.1517 1.1911 1.4442 -0.0462 0.0782 0.1153 505 ARG B CG ? ? 1 +8489 C CD . ARG B 504 1.2159 1.2256 1.4839 -0.0413 0.0805 0.1192 505 ARG B CD ? ? 1 +8490 N NE . ARG B 504 1.2655 1.2568 1.5266 -0.0493 0.0866 0.1188 505 ARG B NE ? ? 1 +8491 C CZ . ARG B 504 1.2785 1.2671 1.5432 -0.0504 0.0849 0.1158 505 ARG B CZ ? ? 1 +8492 N NH1 . ARG B 504 1.2717 1.2759 1.5480 -0.0446 0.0775 0.1126 505 ARG B NH1 ? ? 1 +8493 N NH2 . ARG B 504 1.2891 1.2589 1.5455 -0.0578 0.0909 0.1158 505 ARG B NH2 ? ? 1 +8494 C C . ARG B 504 1.0761 1.1085 1.3816 -0.0728 0.0911 0.1102 505 ARG B C ? ? 1 +8495 O O . ARG B 504 1.0701 1.1031 1.3791 -0.0704 0.0870 0.1075 505 ARG B O ? ? 1 +8496 O OXT . ARG B 504 1.0986 1.1121 1.3914 -0.0780 0.0983 0.1128 505 ARG B OXT ? ? 1 +8497 N N . ALA C 1 1.0944 1.2623 1.4805 0.2371 -0.0373 0.0271 23 ALA C N ? ? 1 +8498 C CA . ALA C 1 1.0801 1.2677 1.4809 0.2261 -0.0364 0.0270 23 ALA C CA ? ? 1 +8499 C CB . ALA C 1 1.0881 1.2628 1.4805 0.2138 -0.0342 0.0302 23 ALA C CB ? ? 1 +8500 C C . ALA C 1 1.0548 1.2642 1.4688 0.2306 -0.0406 0.0274 23 ALA C C ? ? 1 +8501 O O . ALA C 1 1.0554 1.2689 1.4710 0.2253 -0.0420 0.0303 23 ALA C O ? ? 1 +8502 N N . THR C 2 1.0271 1.2510 1.4511 0.2404 -0.0424 0.0242 24 THR C N ? ? 1 +8503 C CA . THR C 2 0.9865 1.2328 1.4246 0.2452 -0.0463 0.0238 24 THR C CA ? ? 1 +8504 C CB . THR C 2 0.9768 1.2354 1.4241 0.2564 -0.0475 0.0198 24 THR C CB ? ? 1 +8505 O OG1 . THR C 2 1.0052 1.2476 1.4394 0.2683 -0.0501 0.0207 24 THR C OG1 ? ? 1 +8506 C CG2 . THR C 2 0.9502 1.2372 1.4170 0.2587 -0.0504 0.0181 24 THR C CG2 ? ? 1 +8507 C C . THR C 2 0.9339 1.2006 1.3872 0.2344 -0.0454 0.0236 24 THR C C ? ? 1 +8508 O O . THR C 2 0.9062 1.1863 1.3709 0.2302 -0.0428 0.0206 24 THR C O ? ? 1 +8509 N N . ASN C 3 0.9110 1.1793 1.3636 0.2303 -0.0476 0.0269 25 ASN C N ? ? 1 +8510 C CA . ASN C 3 0.8760 1.1643 1.3428 0.2218 -0.0478 0.0271 25 ASN C CA ? ? 1 +8511 C CB . ASN C 3 0.8669 1.1811 1.3524 0.2268 -0.0493 0.0234 25 ASN C CB ? ? 1 +8512 C CG . ASN C 3 0.8647 1.1973 1.3616 0.2254 -0.0528 0.0244 25 ASN C CG ? ? 1 +8513 O OD1 . ASN C 3 0.8896 1.2164 1.3797 0.2293 -0.0565 0.0271 25 ASN C OD1 ? ? 1 +8514 N ND2 . ASN C 3 0.8415 1.1960 1.3552 0.2200 -0.0517 0.0221 25 ASN C ND2 ? ? 1 +8515 C C . ASN C 3 0.8359 1.1220 1.3033 0.2082 -0.0433 0.0273 25 ASN C C ? ? 1 +8516 O O . ASN C 3 0.8109 1.1147 1.2915 0.2011 -0.0426 0.0265 25 ASN C O ? ? 1 +8517 N N . ARG C 4 0.8293 1.0932 1.2822 0.2049 -0.0404 0.0283 26 ARG C N ? ? 1 +8518 C CA . ARG C 4 0.8213 1.0822 1.2744 0.1928 -0.0363 0.0279 26 ARG C CA ? ? 1 +8519 C CB . ARG C 4 0.8343 1.0797 1.2783 0.1946 -0.0333 0.0257 26 ARG C CB ? ? 1 +8520 C CG . ARG C 4 0.8276 1.0891 1.2841 0.1975 -0.0321 0.0213 26 ARG C CG ? ? 1 +8521 C CD . ARG C 4 0.8574 1.1046 1.3049 0.2035 -0.0302 0.0190 26 ARG C CD ? ? 1 +8522 N NE . ARG C 4 0.8798 1.1074 1.3150 0.1956 -0.0270 0.0195 26 ARG C NE ? ? 1 +8523 C CZ . ARG C 4 0.9082 1.1156 1.3299 0.1998 -0.0256 0.0187 26 ARG C CZ ? ? 1 +8524 N NH1 . ARG C 4 0.9216 1.1226 1.3378 0.2121 -0.0273 0.0182 26 ARG C NH1 ? ? 1 +8525 N NH2 . ARG C 4 0.9262 1.1195 1.3398 0.1915 -0.0224 0.0183 26 ARG C NH2 ? ? 1 +8526 C C . ARG C 4 0.8054 1.0558 1.2509 0.1829 -0.0353 0.0316 26 ARG C C ? ? 1 +8527 O O . ARG C 4 0.7874 1.0275 1.2277 0.1743 -0.0320 0.0316 26 ARG C O ? ? 1 +8528 N N . ASP C 5 0.7924 1.0471 1.2385 0.1840 -0.0383 0.0345 27 ASP C N ? ? 1 +8529 C CA . ASP C 5 0.7831 1.0332 1.2256 0.1744 -0.0374 0.0378 27 ASP C CA ? ? 1 +8530 C CB . ASP C 5 0.8006 1.0239 1.2234 0.1752 -0.0367 0.0411 27 ASP C CB ? ? 1 +8531 C CG . ASP C 5 0.8088 1.0228 1.2222 0.1877 -0.0402 0.0425 27 ASP C CG ? ? 1 +8532 O OD1 . ASP C 5 0.8023 1.0258 1.2196 0.1917 -0.0437 0.0439 27 ASP C OD1 ? ? 1 +8533 O OD2 . ASP C 5 0.8291 1.0258 1.2308 0.1936 -0.0395 0.0420 27 ASP C OD2 ? ? 1 +8534 C C . ASP C 5 0.7687 1.0364 1.2212 0.1751 -0.0408 0.0391 27 ASP C C ? ? 1 +8535 O O . ASP C 5 0.7732 1.0540 1.2336 0.1837 -0.0440 0.0376 27 ASP C O ? ? 1 +8536 N N . GLN C 6 0.7572 1.0251 1.2094 0.1661 -0.0400 0.0417 28 GLN C N ? ? 1 +8537 C CA . GLN C 6 0.7446 1.0286 1.2059 0.1656 -0.0428 0.0430 28 GLN C CA ? ? 1 +8538 C CB . GLN C 6 0.7345 1.0191 1.1967 0.1535 -0.0406 0.0451 28 GLN C CB ? ? 1 +8539 C CG . GLN C 6 0.7256 1.0265 1.1969 0.1524 -0.0433 0.0464 28 GLN C CG ? ? 1 +8540 C CD . GLN C 6 0.7217 1.0276 1.1977 0.1403 -0.0408 0.0475 28 GLN C CD ? ? 1 +8541 O OE1 . GLN C 6 0.7441 1.0403 1.2157 0.1327 -0.0371 0.0476 28 GLN C OE1 ? ? 1 +8542 N NE2 . GLN C 6 0.7110 1.0324 1.1963 0.1382 -0.0427 0.0481 28 GLN C NE2 ? ? 1 +8543 C C . GLN C 6 0.7529 1.0309 1.2062 0.1751 -0.0469 0.0453 28 GLN C C ? ? 1 +8544 O O . GLN C 6 0.7362 1.0301 1.1987 0.1787 -0.0505 0.0451 28 GLN C O ? ? 1 +8545 N N . GLU C 7 0.7733 1.0282 1.2094 0.1791 -0.0465 0.0475 29 GLU C N ? ? 1 +8546 C CA . GLU C 7 0.7997 1.0461 1.2259 0.1879 -0.0503 0.0501 29 GLU C CA ? ? 1 +8547 C CB . GLU C 7 0.8592 1.0764 1.2642 0.1885 -0.0484 0.0532 29 GLU C CB ? ? 1 +8548 C CG . GLU C 7 0.8942 1.0980 1.2930 0.1770 -0.0429 0.0539 29 GLU C CG ? ? 1 +8549 C CD . GLU C 7 0.9162 1.1282 1.3217 0.1643 -0.0405 0.0552 29 GLU C CD ? ? 1 +8550 O OE1 . GLU C 7 0.9519 1.1657 1.3557 0.1634 -0.0421 0.0580 29 GLU C OE1 ? ? 1 +8551 O OE2 . GLU C 7 0.9110 1.1270 1.3228 0.1554 -0.0371 0.0534 29 GLU C OE2 ? ? 1 +8552 C C . GLU C 7 0.7844 1.0408 1.2165 0.2007 -0.0545 0.0475 29 GLU C C ? ? 1 +8553 O O . GLU C 7 0.7786 1.0443 1.2141 0.2069 -0.0590 0.0480 29 GLU C O ? ? 1 +8554 N N . SER C 8 0.7666 1.0217 1.2002 0.2047 -0.0531 0.0444 30 SER C N ? ? 1 +8555 C CA . SER C 8 0.7544 1.0187 1.1940 0.2167 -0.0565 0.0416 30 SER C CA ? ? 1 +8556 C CB . SER C 8 0.7661 1.0187 1.1998 0.2208 -0.0540 0.0393 30 SER C CB ? ? 1 +8557 O OG . SER C 8 0.7595 1.0116 1.1962 0.2104 -0.0491 0.0380 30 SER C OG ? ? 1 +8558 C C . SER C 8 0.7223 1.0154 1.1829 0.2165 -0.0581 0.0384 30 SER C C ? ? 1 +8559 O O . SER C 8 0.7210 1.0254 1.1880 0.2260 -0.0623 0.0370 30 SER C O ? ? 1 +8560 N N . SER C 9 0.6839 0.9883 1.1551 0.2058 -0.0548 0.0372 31 SER C N ? ? 1 +8561 C CA . SER C 9 0.6473 0.9773 1.1378 0.2049 -0.0553 0.0338 31 SER C CA ? ? 1 +8562 C CB . SER C 9 0.6364 0.9699 1.1328 0.1977 -0.0505 0.0313 31 SER C CB ? ? 1 +8563 O OG . SER C 9 0.6311 0.9608 1.1258 0.1855 -0.0475 0.0332 31 SER C OG ? ? 1 +8564 C C . SER C 9 0.6162 0.9625 1.1169 0.1993 -0.0571 0.0350 31 SER C C ? ? 1 +8565 O O . SER C 9 0.5984 0.9655 1.1138 0.2017 -0.0592 0.0326 31 SER C O ? ? 1 +8566 N N . GLY C 10 0.6110 0.9478 1.1039 0.1915 -0.0561 0.0384 32 GLY C N ? ? 1 +8567 C CA . GLY C 10 0.5867 0.9371 1.0880 0.1852 -0.0573 0.0396 32 GLY C CA ? ? 1 +8568 C C . GLY C 10 0.5620 0.9231 1.0735 0.1735 -0.0535 0.0386 32 GLY C C ? ? 1 +8569 O O . GLY C 10 0.5543 0.9237 1.0708 0.1668 -0.0537 0.0399 32 GLY C O ? ? 1 +8570 N N . PHE C 11 0.5506 0.9106 1.0643 0.1713 -0.0501 0.0361 33 PHE C N ? ? 1 +8571 C CA . PHE C 11 0.5232 0.8932 1.0464 0.1612 -0.0467 0.0347 33 PHE C CA ? ? 1 +8572 C CB . PHE C 11 0.5123 0.8956 1.0469 0.1640 -0.0455 0.0306 33 PHE C CB ? ? 1 +8573 C CG . PHE C 11 0.4972 0.9019 1.0461 0.1691 -0.0486 0.0286 33 PHE C CG ? ? 1 +8574 C CD1 . PHE C 11 0.4785 0.9001 1.0392 0.1627 -0.0489 0.0285 33 PHE C CD1 ? ? 1 +8575 C CD2 . PHE C 11 0.5018 0.9098 1.0524 0.1804 -0.0512 0.0267 33 PHE C CD2 ? ? 1 +8576 C CE1 . PHE C 11 0.4678 0.9090 1.0418 0.1672 -0.0516 0.0266 33 PHE C CE1 ? ? 1 +8577 C CE2 . PHE C 11 0.4884 0.9167 1.0530 0.1849 -0.0540 0.0247 33 PHE C CE2 ? ? 1 +8578 C CZ . PHE C 11 0.4707 0.9153 1.0468 0.1781 -0.0542 0.0246 33 PHE C CZ ? ? 1 +8579 C C . PHE C 11 0.5251 0.8775 1.0375 0.1534 -0.0428 0.0361 33 PHE C C ? ? 1 +8580 O O . PHE C 11 0.5401 0.8762 1.0417 0.1569 -0.0416 0.0359 33 PHE C O ? ? 1 +8581 N N . ALA C 12 0.5127 0.8691 1.0287 0.1427 -0.0408 0.0371 34 ALA C N ? ? 1 +8582 C CA . ALA C 12 0.5125 0.8545 1.0202 0.1342 -0.0371 0.0381 34 ALA C CA ? ? 1 +8583 C CB . ALA C 12 0.4989 0.8465 1.0106 0.1241 -0.0362 0.0399 34 ALA C CB ? ? 1 +8584 C C . ALA C 12 0.5068 0.8506 1.0184 0.1323 -0.0344 0.0347 34 ALA C C ? ? 1 +8585 O O . ALA C 12 0.4989 0.8578 1.0214 0.1356 -0.0348 0.0319 34 ALA C O ? ? 1 +8586 N N . TRP C 13 0.5124 0.8408 1.0150 0.1267 -0.0314 0.0349 35 TRP C N ? ? 1 +8587 C CA . TRP C 13 0.5079 0.8356 1.0122 0.1247 -0.0288 0.0318 35 TRP C CA ? ? 1 +8588 C CB . TRP C 13 0.5205 0.8296 1.0135 0.1175 -0.0260 0.0326 35 TRP C CB ? ? 1 +8589 C CG . TRP C 13 0.5093 0.8218 1.0056 0.1062 -0.0246 0.0339 35 TRP C CG ? ? 1 +8590 C CD1 . TRP C 13 0.5130 0.8195 1.0044 0.1021 -0.0248 0.0373 35 TRP C CD1 ? ? 1 +8591 N NE1 . TRP C 13 0.5017 0.8146 0.9989 0.0917 -0.0232 0.0374 35 TRP C NE1 ? ? 1 +8592 C CE2 . TRP C 13 0.4902 0.8130 0.9957 0.0891 -0.0222 0.0341 35 TRP C CE2 ? ? 1 +8593 C CZ2 . TRP C 13 0.4759 0.8076 0.9889 0.0800 -0.0208 0.0329 35 TRP C CZ2 ? ? 1 +8594 C CH2 . TRP C 13 0.4694 0.8094 0.9889 0.0799 -0.0201 0.0296 35 TRP C CH2 ? ? 1 +8595 C CZ3 . TRP C 13 0.4759 0.8157 0.9948 0.0883 -0.0204 0.0274 35 TRP C CZ3 ? ? 1 +8596 C CE3 . TRP C 13 0.4876 0.8192 0.9997 0.0974 -0.0218 0.0285 35 TRP C CE3 ? ? 1 +8597 C CD2 . TRP C 13 0.4954 0.8181 1.0004 0.0980 -0.0229 0.0319 35 TRP C CD2 ? ? 1 +8598 C C . TRP C 13 0.4836 0.8312 1.0026 0.1197 -0.0279 0.0294 35 TRP C C ? ? 1 +8599 O O . TRP C 13 0.4815 0.8341 1.0048 0.1221 -0.0268 0.0263 35 TRP C O ? ? 1 +8600 N N A TRP C 14 0.4677 0.8259 0.9937 0.1128 -0.0283 0.0308 36 TRP C N ? ? 1 +8601 N N B TRP C 14 0.4679 0.8260 0.9938 0.1128 -0.0283 0.0308 36 TRP C N ? ? 1 +8602 C CA A TRP C 14 0.4472 0.8233 0.9864 0.1075 -0.0275 0.0289 36 TRP C CA ? ? 1 +8603 C CA B TRP C 14 0.4475 0.8236 0.9866 0.1075 -0.0275 0.0289 36 TRP C CA ? ? 1 +8604 C C A TRP C 14 0.4354 0.8296 0.9862 0.1140 -0.0293 0.0271 36 TRP C C ? ? 1 +8605 C C B TRP C 14 0.4353 0.8295 0.9861 0.1141 -0.0293 0.0271 36 TRP C C ? ? 1 +8606 O O A TRP C 14 0.4209 0.8298 0.9824 0.1109 -0.0283 0.0252 36 TRP C O ? ? 1 +8607 O O B TRP C 14 0.4208 0.8296 0.9823 0.1110 -0.0283 0.0251 36 TRP C O ? ? 1 +8608 C CB A TRP C 14 0.4358 0.8165 0.9782 0.0981 -0.0272 0.0309 36 TRP C CB ? ? 1 +8609 C CB B TRP C 14 0.4363 0.8170 0.9786 0.0981 -0.0272 0.0310 36 TRP C CB ? ? 1 +8610 C CG A TRP C 14 0.4375 0.8167 0.9771 0.0995 -0.0294 0.0342 36 TRP C CG ? ? 1 +8611 C CG B TRP C 14 0.4383 0.8176 0.9779 0.0994 -0.0294 0.0342 36 TRP C CG ? ? 1 +8612 C CD1 A TRP C 14 0.4487 0.8127 0.9773 0.0969 -0.0290 0.0371 36 TRP C CD1 ? ? 1 +8613 C CD1 B TRP C 14 0.4498 0.8138 0.9784 0.0969 -0.0290 0.0371 36 TRP C CD1 ? ? 1 +8614 C CD2 A TRP C 14 0.4280 0.8217 0.9757 0.1035 -0.0322 0.0348 36 TRP C CD2 ? ? 1 +8615 C CD2 B TRP C 14 0.4294 0.8231 0.9771 0.1035 -0.0322 0.0348 36 TRP C CD2 ? ? 1 +8616 N NE1 A TRP C 14 0.4475 0.8149 0.9763 0.0994 -0.0314 0.0396 36 TRP C NE1 ? ? 1 +8617 N NE1 B TRP C 14 0.4487 0.8162 0.9775 0.0994 -0.0314 0.0396 36 TRP C NE1 ? ? 1 +8618 C CE2 A TRP C 14 0.4345 0.8202 0.9750 0.1035 -0.0336 0.0381 36 TRP C CE2 ? ? 1 +8619 C CE2 B TRP C 14 0.4360 0.8217 0.9765 0.1035 -0.0336 0.0381 36 TRP C CE2 ? ? 1 +8620 C CE3 A TRP C 14 0.4147 0.8269 0.9749 0.1070 -0.0336 0.0327 36 TRP C CE3 ? ? 1 +8621 C CE3 B TRP C 14 0.4162 0.8284 0.9764 0.1071 -0.0337 0.0327 36 TRP C CE3 ? ? 1 +8622 C CZ2 A TRP C 14 0.4287 0.8242 0.9737 0.1071 -0.0366 0.0394 36 TRP C CZ2 ? ? 1 +8623 C CZ2 B TRP C 14 0.4302 0.8258 0.9753 0.1071 -0.0367 0.0394 36 TRP C CZ2 ? ? 1 +8624 C CZ3 A TRP C 14 0.4086 0.8309 0.9740 0.1103 -0.0366 0.0338 36 TRP C CZ3 ? ? 1 +8625 C CZ3 B TRP C 14 0.4103 0.8327 0.9758 0.1103 -0.0367 0.0338 36 TRP C CZ3 ? ? 1 +8626 C CH2 A TRP C 14 0.4154 0.8294 0.9731 0.1104 -0.0383 0.0371 36 TRP C CH2 ? ? 1 +8627 C CH2 B TRP C 14 0.4170 0.8311 0.9748 0.1104 -0.0383 0.0371 36 TRP C CH2 ? ? 1 +8628 N N . ALA C 15 0.4423 0.8352 0.9908 0.1231 -0.0319 0.0278 37 ALA C N ? ? 1 +8629 C CA . ALA C 15 0.4351 0.8433 0.9938 0.1306 -0.0337 0.0257 37 ALA C CA ? ? 1 +8630 C CB . ALA C 15 0.4287 0.8470 0.9926 0.1328 -0.0371 0.0274 37 ALA C CB ? ? 1 +8631 C C . ALA C 15 0.4488 0.8474 1.0008 0.1404 -0.0340 0.0243 37 ALA C C ? ? 1 +8632 O O . ALA C 15 0.4496 0.8543 1.0049 0.1491 -0.0366 0.0237 37 ALA C O ? ? 1 +8633 N N . GLY C 16 0.4580 0.8415 1.0006 0.1389 -0.0314 0.0236 38 GLY C N ? ? 1 +8634 C CA . GLY C 16 0.4755 0.8456 1.0088 0.1474 -0.0314 0.0227 38 GLY C CA ? ? 1 +8635 C C . GLY C 16 0.4722 0.8541 1.0140 0.1560 -0.0317 0.0193 38 GLY C C ? ? 1 +8636 O O . GLY C 16 0.4832 0.8593 1.0203 0.1657 -0.0334 0.0190 38 GLY C O ? ? 1 +8637 N N . ASN C 17 0.4568 0.8550 1.0108 0.1524 -0.0299 0.0169 39 ASN C N ? ? 1 +8638 C CA . ASN C 17 0.4549 0.8646 1.0174 0.1596 -0.0294 0.0134 39 ASN C CA ? ? 1 +8639 C CB . ASN C 17 0.4412 0.8632 1.0132 0.1533 -0.0261 0.0110 39 ASN C CB ? ? 1 +8640 C CG . ASN C 17 0.4486 0.8568 1.0117 0.1486 -0.0228 0.0101 39 ASN C CG ? ? 1 +8641 O OD1 . ASN C 17 0.4651 0.8555 1.0159 0.1517 -0.0226 0.0104 39 ASN C OD1 ? ? 1 +8642 N ND2 . ASN C 17 0.4374 0.8532 1.0062 0.1412 -0.0203 0.0087 39 ASN C ND2 ? ? 1 +8643 C C . ASN C 17 0.4503 0.8741 1.0218 0.1672 -0.0329 0.0133 39 ASN C C ? ? 1 +8644 O O . ASN C 17 0.4512 0.8830 1.0287 0.1750 -0.0330 0.0106 39 ASN C O ? ? 1 +8645 N N . ALA C 18 0.4461 0.8727 1.0183 0.1648 -0.0358 0.0161 40 ALA C N ? ? 1 +8646 C CA . ALA C 18 0.4436 0.8815 1.0226 0.1720 -0.0398 0.0161 40 ALA C CA ? ? 1 +8647 C CB . ALA C 18 0.4341 0.8774 1.0155 0.1661 -0.0420 0.0189 40 ALA C CB ? ? 1 +8648 C C . ALA C 18 0.4630 0.8877 1.0316 0.1825 -0.0425 0.0168 40 ALA C C ? ? 1 +8649 O O . ALA C 18 0.4640 0.8973 1.0377 0.1906 -0.0459 0.0161 40 ALA C O ? ? 1 +8650 N N . ARG C 19 0.4801 0.8836 1.0340 0.1824 -0.0408 0.0180 41 ARG C N ? ? 1 +8651 C CA . ARG C 19 0.4996 0.8881 1.0420 0.1924 -0.0428 0.0186 41 ARG C CA ? ? 1 +8652 C CB . ARG C 19 0.5175 0.8813 1.0428 0.1887 -0.0406 0.0207 41 ARG C CB ? ? 1 +8653 C CG . ARG C 19 0.5181 0.8743 1.0372 0.1800 -0.0408 0.0245 41 ARG C CG ? ? 1 +8654 C CD . ARG C 19 0.5339 0.8676 1.0381 0.1750 -0.0380 0.0260 41 ARG C CD ? ? 1 +8655 N NE . ARG C 19 0.5341 0.8609 1.0329 0.1665 -0.0378 0.0295 41 ARG C NE ? ? 1 +8656 C CZ . ARG C 19 0.5455 0.8542 1.0325 0.1601 -0.0353 0.0311 41 ARG C CZ ? ? 1 +8657 N NH1 . ARG C 19 0.5592 0.8542 1.0383 0.1606 -0.0328 0.0296 41 ARG C NH1 ? ? 1 +8658 N NH2 . ARG C 19 0.5441 0.8481 1.0272 0.1530 -0.0352 0.0343 41 ARG C NH2 ? ? 1 +8659 C C . ARG C 19 0.5012 0.8954 1.0486 0.2018 -0.0423 0.0148 41 ARG C C ? ? 1 +8660 O O . ARG C 19 0.5160 0.9013 1.0563 0.2117 -0.0445 0.0148 41 ARG C O ? ? 1 +8661 N N . LEU C 20 0.4873 0.8961 1.0466 0.1987 -0.0394 0.0117 42 LEU C N ? ? 1 +8662 C CA . LEU C 20 0.4892 0.9048 1.0544 0.2064 -0.0381 0.0079 42 LEU C CA ? ? 1 +8663 C CB . LEU C 20 0.4818 0.9006 1.0508 0.1995 -0.0330 0.0056 42 LEU C CB ? ? 1 +8664 C CG . LEU C 20 0.4927 0.8912 1.0478 0.1935 -0.0301 0.0067 42 LEU C CG ? ? 1 +8665 C CD1 . LEU C 20 0.4821 0.8872 1.0428 0.1854 -0.0258 0.0046 42 LEU C CD1 ? ? 1 +8666 C CD2 . LEU C 20 0.5132 0.8940 1.0559 0.2020 -0.0299 0.0060 42 LEU C CD2 ? ? 1 +8667 C C . LEU C 20 0.4783 0.9163 1.0593 0.2126 -0.0405 0.0057 42 LEU C C ? ? 1 +8668 O O . LEU C 20 0.4776 0.9237 1.0654 0.2190 -0.0393 0.0023 42 LEU C O ? ? 1 +8669 N N . ILE C 21 0.4690 0.9174 1.0563 0.2103 -0.0438 0.0074 43 ILE C N ? ? 1 +8670 C CA . ILE C 21 0.4574 0.9291 1.0615 0.2137 -0.0457 0.0050 43 ILE C CA ? ? 1 +8671 C CB . ILE C 21 0.4456 0.9261 1.0545 0.2094 -0.0493 0.0073 43 ILE C CB ? ? 1 +8672 C CG1 . ILE C 21 0.4314 0.9136 1.0419 0.1964 -0.0464 0.0088 43 ILE C CG1 ? ? 1 +8673 C CG2 . ILE C 21 0.4343 0.9378 1.0598 0.2145 -0.0522 0.0046 43 ILE C CG2 ? ? 1 +8674 C CD1 . ILE C 21 0.4236 0.9095 1.0351 0.1914 -0.0494 0.0117 43 ILE C CD1 ? ? 1 +8675 C C . ILE C 21 0.4695 0.9440 1.0757 0.2268 -0.0482 0.0026 43 ILE C C ? ? 1 +8676 O O . ILE C 21 0.4637 0.9547 1.0831 0.2302 -0.0469 -0.0011 43 ILE C O ? ? 1 +8677 N N . ASN C 22 0.4900 0.9482 1.0830 0.2341 -0.0514 0.0045 44 ASN C N ? ? 1 +8678 C CA . ASN C 22 0.5036 0.9630 1.0972 0.2474 -0.0542 0.0024 44 ASN C CA ? ? 1 +8679 C CB . ASN C 22 0.5114 0.9682 1.1006 0.2536 -0.0604 0.0047 44 ASN C CB ? ? 1 +8680 C CG . ASN C 22 0.4970 0.9710 1.0977 0.2482 -0.0631 0.0054 44 ASN C CG ? ? 1 +8681 O OD1 . ASN C 22 0.5007 0.9673 1.0940 0.2443 -0.0654 0.0089 44 ASN C OD1 ? ? 1 +8682 N ND2 . ASN C 22 0.4822 0.9795 1.1012 0.2478 -0.0625 0.0019 44 ASN C ND2 ? ? 1 +8683 C C . ASN C 22 0.5230 0.9634 1.1037 0.2532 -0.0519 0.0018 44 ASN C C ? ? 1 +8684 O O . ASN C 22 0.5415 0.9746 1.1161 0.2641 -0.0550 0.0016 44 ASN C O ? ? 1 +8685 N N . LEU C 23 0.5227 0.9554 1.0993 0.2461 -0.0467 0.0014 45 LEU C N ? ? 1 +8686 C CA . LEU C 23 0.5391 0.9552 1.1046 0.2506 -0.0439 0.0003 45 LEU C CA ? ? 1 +8687 C CB . LEU C 23 0.5497 0.9422 1.0980 0.2431 -0.0420 0.0036 45 LEU C CB ? ? 1 +8688 C CG . LEU C 23 0.5598 0.9381 1.0960 0.2432 -0.0459 0.0079 45 LEU C CG ? ? 1 +8689 C CD1 . LEU C 23 0.5716 0.9256 1.0907 0.2365 -0.0434 0.0106 45 LEU C CD1 ? ? 1 +8690 C CD2 . LEU C 23 0.5750 0.9485 1.1063 0.2567 -0.0504 0.0080 45 LEU C CD2 ? ? 1 +8691 C C . LEU C 23 0.5304 0.9587 1.1066 0.2492 -0.0391 -0.0038 45 LEU C C ? ? 1 +8692 O O . LEU C 23 0.5269 0.9500 1.1001 0.2407 -0.0349 -0.0039 45 LEU C O ? ? 1 +8693 N N . SER C 24 0.5272 0.9718 1.1158 0.2578 -0.0399 -0.0072 46 SER C N ? ? 1 +8694 C CA . SER C 24 0.5173 0.9769 1.1183 0.2567 -0.0353 -0.0112 46 SER C CA ? ? 1 +8695 C CB . SER C 24 0.5157 0.9923 1.1296 0.2678 -0.0371 -0.0147 46 SER C CB ? ? 1 +8696 O OG . SER C 24 0.5333 0.9980 1.1377 0.2790 -0.0412 -0.0140 46 SER C OG ? ? 1 +8697 C C . SER C 24 0.5271 0.9720 1.1183 0.2552 -0.0303 -0.0124 46 SER C C ? ? 1 +8698 O O . SER C 24 0.5176 0.9694 1.1145 0.2482 -0.0257 -0.0141 46 SER C O ? ? 1 +8699 N N . GLY C 25 0.5466 0.9706 1.1224 0.2617 -0.0311 -0.0115 47 GLY C N ? ? 1 +8700 C CA . GLY C 25 0.5570 0.9651 1.1220 0.2616 -0.0268 -0.0129 47 GLY C CA ? ? 1 +8701 C C . GLY C 25 0.5518 0.9495 1.1093 0.2487 -0.0238 -0.0110 47 GLY C C ? ? 1 +8702 O O . GLY C 25 0.5475 0.9477 1.1074 0.2441 -0.0193 -0.0132 47 GLY C O ? ? 1 +8703 N N . LYS C 26 0.5534 0.9396 1.1019 0.2431 -0.0263 -0.0070 48 LYS C N ? ? 1 +8704 C CA . LYS C 26 0.5474 0.9254 1.0901 0.2305 -0.0241 -0.0051 48 LYS C CA ? ? 1 +8705 C CB . LYS C 26 0.5554 0.9190 1.0870 0.2269 -0.0272 -0.0007 48 LYS C CB ? ? 1 +8706 C CG . LYS C 26 0.5818 0.9202 1.0953 0.2326 -0.0278 0.0005 48 LYS C CG ? ? 1 +8707 C CD . LYS C 26 0.5914 0.9117 1.0917 0.2246 -0.0284 0.0044 48 LYS C CD ? ? 1 +8708 C CE . LYS C 26 0.6181 0.9131 1.1002 0.2304 -0.0290 0.0058 48 LYS C CE ? ? 1 +8709 N NZ . LYS C 26 0.6311 0.9159 1.1070 0.2345 -0.0258 0.0027 48 LYS C NZ ? ? 1 +8710 C C . LYS C 26 0.5223 0.9209 1.0799 0.2217 -0.0223 -0.0060 48 LYS C C ? ? 1 +8711 O O . LYS C 26 0.5193 0.9155 1.0756 0.2132 -0.0188 -0.0065 48 LYS C O ? ? 1 +8712 N N . LEU C 27 0.5057 0.9238 1.0770 0.2238 -0.0248 -0.0061 49 LEU C N ? ? 1 +8713 C CA . LEU C 27 0.4817 0.9198 1.0676 0.2161 -0.0232 -0.0070 49 LEU C CA ? ? 1 +8714 C CB . LEU C 27 0.4707 0.9277 1.0698 0.2195 -0.0271 -0.0068 49 LEU C CB ? ? 1 +8715 C CG . LEU C 27 0.4496 0.9264 1.0632 0.2111 -0.0258 -0.0073 49 LEU C CG ? ? 1 +8716 C CD1 . LEU C 27 0.4435 0.9126 1.0510 0.1990 -0.0248 -0.0045 49 LEU C CD1 ? ? 1 +8717 C CD2 . LEU C 27 0.4406 0.9336 1.0655 0.2141 -0.0301 -0.0070 49 LEU C CD2 ? ? 1 +8718 C C . LEU C 27 0.4747 0.9216 1.0677 0.2162 -0.0184 -0.0109 49 LEU C C ? ? 1 +8719 O O . LEU C 27 0.4634 0.9160 1.0604 0.2073 -0.0153 -0.0113 49 LEU C O ? ? 1 +8720 N N . LEU C 28 0.4812 0.9290 1.0754 0.2266 -0.0176 -0.0138 50 LEU C N ? ? 1 +8721 C CA . LEU C 28 0.4781 0.9318 1.0770 0.2278 -0.0127 -0.0175 50 LEU C CA ? ? 1 +8722 C CB . LEU C 28 0.4900 0.9436 1.0894 0.2409 -0.0127 -0.0204 50 LEU C CB ? ? 1 +8723 C CG . LEU C 28 0.4926 0.9486 1.0941 0.2431 -0.0072 -0.0243 50 LEU C CG ? ? 1 +8724 C CD1 . LEU C 28 0.4740 0.9533 1.0927 0.2388 -0.0041 -0.0265 50 LEU C CD1 ? ? 1 +8725 C CD2 . LEU C 28 0.5083 0.9609 1.1080 0.2563 -0.0075 -0.0268 50 LEU C CD2 ? ? 1 +8726 C C . LEU C 28 0.4824 0.9192 1.0688 0.2209 -0.0091 -0.0173 50 LEU C C ? ? 1 +8727 O O . LEU C 28 0.4733 0.9168 1.0643 0.2149 -0.0052 -0.0190 50 LEU C O ? ? 1 +8728 N N . GLY C 29 0.4975 0.9123 1.0679 0.2219 -0.0106 -0.0153 51 GLY C N ? ? 1 +8729 C CA . GLY C 29 0.5047 0.9019 1.0623 0.2150 -0.0080 -0.0149 51 GLY C CA ? ? 1 +8730 C C . GLY C 29 0.4890 0.8908 1.0495 0.2021 -0.0070 -0.0134 51 GLY C C ? ? 1 +8731 O O . GLY C 29 0.4864 0.8868 1.0455 0.1965 -0.0034 -0.0150 51 GLY C O ? ? 1 +8732 N N . ALA C 30 0.4790 0.8864 1.0434 0.1977 -0.0103 -0.0103 52 ALA C N ? ? 1 +8733 C CA . ALA C 30 0.4658 0.8786 1.0337 0.1860 -0.0098 -0.0087 52 ALA C CA ? ? 1 +8734 C CB . ALA C 30 0.4577 0.8761 1.0295 0.1836 -0.0138 -0.0054 52 ALA C CB ? ? 1 +8735 C C . ALA C 30 0.4512 0.8823 1.0319 0.1826 -0.0064 -0.0113 52 ALA C C ? ? 1 +8736 O O . ALA C 30 0.4451 0.8752 1.0246 0.1741 -0.0041 -0.0115 52 ALA C O ? ? 1 +8737 N N . HIS C 31 0.4461 0.8938 1.0390 0.1894 -0.0062 -0.0134 53 HIS C N ? ? 1 +8738 C CA . HIS C 31 0.4320 0.8978 1.0376 0.1867 -0.0028 -0.0159 53 HIS C CA ? ? 1 +8739 C CB . HIS C 31 0.4260 0.9106 1.0459 0.1942 -0.0039 -0.0175 53 HIS C CB ? ? 1 +8740 C CG . HIS C 31 0.4147 0.9104 1.0427 0.1913 -0.0079 -0.0151 53 HIS C CG ? ? 1 +8741 N ND1 . HIS C 31 0.4212 0.9148 1.0479 0.1977 -0.0126 -0.0136 53 HIS C ND1 ? ? 1 +8742 C CE1 . HIS C 31 0.4087 0.9134 1.0432 0.1928 -0.0152 -0.0117 53 HIS C CE1 ? ? 1 +8743 N NE2 . HIS C 31 0.3941 0.9076 1.0347 0.1839 -0.0123 -0.0120 53 HIS C NE2 ? ? 1 +8744 C CD2 . HIS C 31 0.3987 0.9066 1.0352 0.1829 -0.0077 -0.0141 53 HIS C CD2 ? ? 1 +8745 C C . HIS C 31 0.4377 0.8980 1.0388 0.1870 0.0021 -0.0189 53 HIS C C ? ? 1 +8746 O O . HIS C 31 0.4289 0.8957 1.0339 0.1802 0.0053 -0.0199 53 HIS C O ? ? 1 +8747 N N . VAL C 32 0.4537 0.9015 1.0462 0.1951 0.0027 -0.0204 54 VAL C N ? ? 1 +8748 C CA . VAL C 32 0.4613 0.9035 1.0491 0.1967 0.0073 -0.0235 54 VAL C CA ? ? 1 +8749 C CB . VAL C 32 0.4780 0.9123 1.0608 0.2087 0.0075 -0.0256 54 VAL C CB ? ? 1 +8750 C CG1 . VAL C 32 0.4877 0.9145 1.0642 0.2102 0.0124 -0.0288 54 VAL C CG1 ? ? 1 +8751 C CG2 . VAL C 32 0.4728 0.9252 1.0696 0.2172 0.0064 -0.0270 54 VAL C CG2 ? ? 1 +8752 C C . VAL C 32 0.4652 0.8908 1.0402 0.1882 0.0084 -0.0226 54 VAL C C ? ? 1 +8753 O O . VAL C 32 0.4638 0.8905 1.0383 0.1842 0.0122 -0.0245 54 VAL C O ? ? 1 +8754 N N . ALA C 33 0.4710 0.8815 1.0356 0.1855 0.0051 -0.0197 55 ALA C N ? ? 1 +8755 C CA . ALA C 33 0.4741 0.8698 1.0276 0.1767 0.0055 -0.0187 55 ALA C CA ? ? 1 +8756 C CB . ALA C 33 0.4827 0.8623 1.0256 0.1754 0.0019 -0.0155 55 ALA C CB ? ? 1 +8757 C C . ALA C 33 0.4569 0.8644 1.0179 0.1664 0.0064 -0.0180 55 ALA C C ? ? 1 +8758 O O . ALA C 33 0.4592 0.8610 1.0150 0.1602 0.0086 -0.0190 55 ALA C O ? ? 1 +8759 N N . HIS C 34 0.4417 0.8654 1.0146 0.1650 0.0045 -0.0164 56 HIS C N ? ? 1 +8760 C CA . HIS C 34 0.4237 0.8597 1.0046 0.1559 0.0051 -0.0156 56 HIS C CA ? ? 1 +8761 C CB . HIS C 34 0.4104 0.8599 1.0017 0.1553 0.0020 -0.0133 56 HIS C CB ? ? 1 +8762 C CG . HIS C 34 0.3928 0.8547 0.9923 0.1463 0.0025 -0.0124 56 HIS C CG ? ? 1 +8763 N ND1 . HIS C 34 0.3814 0.8611 0.9932 0.1464 0.0048 -0.0141 56 HIS C ND1 ? ? 1 +8764 C CE1 . HIS C 34 0.3689 0.8548 0.9844 0.1375 0.0047 -0.0127 56 HIS C CE1 ? ? 1 +8765 N NE2 . HIS C 34 0.3712 0.8446 0.9778 0.1319 0.0025 -0.0103 56 HIS C NE2 ? ? 1 +8766 C CD2 . HIS C 34 0.3872 0.8452 0.9835 0.1371 0.0012 -0.0101 56 HIS C CD2 ? ? 1 +8767 C C . HIS C 34 0.4179 0.8658 1.0061 0.1555 0.0095 -0.0186 56 HIS C C ? ? 1 +8768 O O . HIS C 34 0.4112 0.8600 0.9987 0.1480 0.0113 -0.0189 56 HIS C O ? ? 1 +8769 N N . ALA C 35 0.4210 0.8781 1.0161 0.1639 0.0114 -0.0210 57 ALA C N ? ? 1 +8770 C CA . ALA C 35 0.4183 0.8850 1.0192 0.1646 0.0162 -0.0242 57 ALA C CA ? ? 1 +8771 C CB . ALA C 35 0.4215 0.8976 1.0301 0.1750 0.0177 -0.0267 57 ALA C CB ? ? 1 +8772 C C . ALA C 35 0.4299 0.8814 1.0182 0.1620 0.0190 -0.0258 57 ALA C C ? ? 1 +8773 O O . ALA C 35 0.4246 0.8806 1.0142 0.1571 0.0223 -0.0271 57 ALA C O ? ? 1 +8774 N N . GLY C 36 0.4469 0.8800 1.0225 0.1654 0.0176 -0.0256 58 GLY C N ? ? 1 +8775 C CA . GLY C 36 0.4600 0.8765 1.0223 0.1628 0.0196 -0.0270 58 GLY C CA ? ? 1 +8776 C C . GLY C 36 0.4539 0.8678 1.0130 0.1516 0.0191 -0.0257 58 GLY C C ? ? 1 +8777 O O . GLY C 36 0.4572 0.8679 1.0119 0.1483 0.0220 -0.0277 58 GLY C O ? ? 1 +8778 N N . LEU C 37 0.4472 0.8623 1.0083 0.1461 0.0154 -0.0225 59 LEU C N ? ? 1 +8779 C CA . LEU C 37 0.4408 0.8550 1.0003 0.1357 0.0145 -0.0211 59 LEU C CA ? ? 1 +8780 C CB . LEU C 37 0.4338 0.8487 0.9955 0.1316 0.0103 -0.0175 59 LEU C CB ? ? 1 +8781 C CG . LEU C 37 0.4484 0.8449 0.9985 0.1324 0.0077 -0.0160 59 LEU C CG ? ? 1 +8782 C CD1 . LEU C 37 0.4415 0.8406 0.9949 0.1295 0.0040 -0.0124 59 LEU C CD1 ? ? 1 +8783 C CD2 . LEU C 37 0.4575 0.8383 0.9958 0.1261 0.0082 -0.0169 59 LEU C CD2 ? ? 1 +8784 C C . LEU C 37 0.4290 0.8588 0.9977 0.1315 0.0172 -0.0221 59 LEU C C ? ? 1 +8785 O O . LEU C 37 0.4288 0.8552 0.9931 0.1250 0.0183 -0.0227 59 LEU C O ? ? 1 +8786 N N . ILE C 38 0.4195 0.8664 1.0008 0.1352 0.0182 -0.0223 60 ILE C N ? ? 1 +8787 C CA . ILE C 38 0.4073 0.8692 0.9977 0.1316 0.0212 -0.0232 60 ILE C CA ? ? 1 +8788 C CB . ILE C 38 0.3982 0.8790 1.0035 0.1359 0.0216 -0.0233 60 ILE C CB ? ? 1 +8789 C CG1 . ILE C 38 0.3902 0.8762 1.0011 0.1337 0.0170 -0.0200 60 ILE C CG1 ? ? 1 +8790 C CG2 . ILE C 38 0.3876 0.8830 1.0016 0.1326 0.0257 -0.0247 60 ILE C CG2 ? ? 1 +8791 C CD1 . ILE C 38 0.3837 0.8862 1.0080 0.1392 0.0166 -0.0203 60 ILE C CD1 ? ? 1 +8792 C C . ILE C 38 0.4139 0.8708 0.9984 0.1329 0.0257 -0.0265 60 ILE C C ? ? 1 +8793 O O . ILE C 38 0.4116 0.8684 0.9936 0.1266 0.0273 -0.0269 60 ILE C O ? ? 1 +8794 N N . VAL C 39 0.4229 0.8753 1.0045 0.1414 0.0276 -0.0287 61 VAL C N ? ? 1 +8795 C CA . VAL C 39 0.4308 0.8789 1.0070 0.1439 0.0323 -0.0320 61 VAL C CA ? ? 1 +8796 C CB . VAL C 39 0.4406 0.8880 1.0176 0.1547 0.0341 -0.0342 61 VAL C CB ? ? 1 +8797 C CG1 . VAL C 39 0.4521 0.8923 1.0214 0.1577 0.0389 -0.0376 61 VAL C CG1 ? ? 1 +8798 C CG2 . VAL C 39 0.4295 0.8968 1.0224 0.1591 0.0350 -0.0344 61 VAL C CG2 ? ? 1 +8799 C C . VAL C 39 0.4408 0.8708 1.0022 0.1391 0.0318 -0.0324 61 VAL C C ? ? 1 +8800 O O . VAL C 39 0.4433 0.8715 1.0004 0.1366 0.0349 -0.0344 61 VAL C O ? ? 1 +8801 N N . PHE C 40 0.4469 0.8636 1.0005 0.1378 0.0277 -0.0307 62 PHE C N ? ? 1 +8802 C CA . PHE C 40 0.4549 0.8550 0.9955 0.1322 0.0265 -0.0309 62 PHE C CA ? ? 1 +8803 C CB . PHE C 40 0.4604 0.8484 0.9950 0.1306 0.0220 -0.0285 62 PHE C CB ? ? 1 +8804 C CG . PHE C 40 0.4705 0.8411 0.9919 0.1249 0.0207 -0.0290 62 PHE C CG ? ? 1 +8805 C CD1 . PHE C 40 0.4631 0.8350 0.9844 0.1154 0.0193 -0.0281 62 PHE C CD1 ? ? 1 +8806 C CD2 . PHE C 40 0.4883 0.8415 0.9977 0.1290 0.0211 -0.0308 62 PHE C CD2 ? ? 1 +8807 C CE1 . PHE C 40 0.4726 0.8292 0.9824 0.1101 0.0180 -0.0290 62 PHE C CE1 ? ? 1 +8808 C CE2 . PHE C 40 0.4993 0.8366 0.9969 0.1234 0.0199 -0.0316 62 PHE C CE2 ? ? 1 +8809 C CZ . PHE C 40 0.4902 0.8297 0.9884 0.1139 0.0183 -0.0308 62 PHE C CZ ? ? 1 +8810 C C . PHE C 40 0.4435 0.8492 0.9857 0.1231 0.0266 -0.0304 62 PHE C C ? ? 1 +8811 O O . PHE C 40 0.4490 0.8486 0.9840 0.1206 0.0287 -0.0325 62 PHE C O ? ? 1 +8812 N N . TRP C 41 0.4286 0.8458 0.9802 0.1184 0.0243 -0.0277 63 TRP C N ? ? 1 +8813 C CA . TRP C 41 0.4181 0.8407 0.9716 0.1098 0.0239 -0.0268 63 TRP C CA ? ? 1 +8814 C CB . TRP C 41 0.4025 0.8379 0.9670 0.1062 0.0213 -0.0237 63 TRP C CB ? ? 1 +8815 C CG . TRP C 41 0.3918 0.8330 0.9585 0.0977 0.0207 -0.0227 63 TRP C CG ? ? 1 +8816 C CD1 . TRP C 41 0.3917 0.8250 0.9526 0.0905 0.0177 -0.0216 63 TRP C CD1 ? ? 1 +8817 N NE1 . TRP C 41 0.3812 0.8235 0.9464 0.0846 0.0181 -0.0211 63 TRP C NE1 ? ? 1 +8818 C CE2 . TRP C 41 0.3745 0.8301 0.9480 0.0876 0.0215 -0.0218 63 TRP C CE2 ? ? 1 +8819 C CZ2 . TRP C 41 0.3636 0.8309 0.9433 0.0839 0.0233 -0.0216 63 TRP C CZ2 ? ? 1 +8820 C CH2 . TRP C 41 0.3592 0.8382 0.9468 0.0880 0.0272 -0.0226 63 TRP C CH2 ? ? 1 +8821 C CZ3 . TRP C 41 0.3641 0.8444 0.9543 0.0959 0.0291 -0.0239 63 TRP C CZ3 ? ? 1 +8822 C CE3 . TRP C 41 0.3749 0.8437 0.9589 0.1001 0.0270 -0.0241 63 TRP C CE3 ? ? 1 +8823 C CD2 . TRP C 41 0.3804 0.8360 0.9555 0.0958 0.0233 -0.0230 63 TRP C CD2 ? ? 1 +8824 C C . TRP C 41 0.4158 0.8461 0.9714 0.1097 0.0284 -0.0291 63 TRP C C ? ? 1 +8825 O O . TRP C 41 0.4184 0.8437 0.9676 0.1046 0.0289 -0.0300 63 TRP C O ? ? 1 +8826 N N . ALA C 42 0.4118 0.8544 0.9765 0.1155 0.0316 -0.0300 64 ALA C N ? ? 1 +8827 C CA . ALA C 42 0.4088 0.8598 0.9765 0.1159 0.0365 -0.0321 64 ALA C CA ? ? 1 +8828 C CB . ALA C 42 0.4061 0.8705 0.9849 0.1230 0.0396 -0.0330 64 ALA C CB ? ? 1 +8829 C C . ALA C 42 0.4228 0.8601 0.9776 0.1171 0.0391 -0.0349 64 ALA C C ? ? 1 +8830 O O . ALA C 42 0.4227 0.8602 0.9740 0.1130 0.0412 -0.0359 64 ALA C O ? ? 1 +8831 N N . GLY C 43 0.4364 0.8613 0.9835 0.1227 0.0387 -0.0363 65 GLY C N ? ? 1 +8832 C CA . GLY C 43 0.4523 0.8624 0.9861 0.1242 0.0406 -0.0391 65 GLY C CA ? ? 1 +8833 C C . GLY C 43 0.4558 0.8535 0.9790 0.1164 0.0375 -0.0388 65 GLY C C ? ? 1 +8834 O O . GLY C 43 0.4588 0.8532 0.9757 0.1133 0.0395 -0.0405 65 GLY C O ? ? 1 +8835 N N . ALA C 44 0.4557 0.8467 0.9770 0.1132 0.0328 -0.0366 66 ALA C N ? ? 1 +8836 C CA . ALA C 44 0.4597 0.8391 0.9719 0.1059 0.0295 -0.0364 66 ALA C CA ? ? 1 +8837 C CB . ALA C 44 0.4597 0.8330 0.9715 0.1036 0.0249 -0.0339 66 ALA C CB ? ? 1 +8838 C C . ALA C 44 0.4488 0.8369 0.9644 0.0985 0.0292 -0.0357 66 ALA C C ? ? 1 +8839 O O . ALA C 44 0.4557 0.8356 0.9626 0.0941 0.0287 -0.0372 66 ALA C O ? ? 1 +8840 N N . MET C 45 0.4337 0.8381 0.9618 0.0972 0.0294 -0.0335 67 MET C N ? ? 1 +8841 C CA . MET C 45 0.4224 0.8351 0.9542 0.0903 0.0289 -0.0324 67 MET C CA ? ? 1 +8842 C CB . MET C 45 0.4056 0.8350 0.9516 0.0893 0.0283 -0.0296 67 MET C CB ? ? 1 +8843 C CG . MET C 45 0.3944 0.8311 0.9438 0.0817 0.0269 -0.0281 67 MET C CG ? ? 1 +8844 S SD . MET C 45 0.3929 0.8215 0.9384 0.0740 0.0207 -0.0260 67 MET C SD ? ? 1 +8845 C CE . MET C 45 0.3994 0.8194 0.9339 0.0689 0.0207 -0.0283 67 MET C CE ? ? 1 +8846 C C . MET C 45 0.4256 0.8398 0.9536 0.0907 0.0331 -0.0348 67 MET C C ? ? 1 +8847 O O . MET C 45 0.4281 0.8398 0.9513 0.0851 0.0323 -0.0352 67 MET C O ? ? 1 +8848 N N . THR C 46 0.4280 0.8459 0.9580 0.0975 0.0378 -0.0366 68 THR C N ? ? 1 +8849 C CA . THR C 46 0.4322 0.8509 0.9582 0.0986 0.0426 -0.0390 68 THR C CA ? ? 1 +8850 C CB . THR C 46 0.4340 0.8591 0.9651 0.1068 0.0478 -0.0406 68 THR C CB ? ? 1 +8851 O OG1 . THR C 46 0.4186 0.8600 0.9643 0.1075 0.0481 -0.0386 68 THR C OG1 ? ? 1 +8852 C CG2 . THR C 46 0.4401 0.8652 0.9664 0.1082 0.0533 -0.0432 68 THR C CG2 ? ? 1 +8853 C C . THR C 46 0.4474 0.8494 0.9579 0.0972 0.0420 -0.0414 68 THR C C ? ? 1 +8854 O O . THR C 46 0.4488 0.8498 0.9541 0.0938 0.0434 -0.0424 68 THR C O ? ? 1 +8855 N N . LEU C 47 0.4601 0.8488 0.9632 0.0999 0.0401 -0.0424 69 LEU C N ? ? 1 +8856 C CA . LEU C 47 0.4761 0.8480 0.9644 0.0988 0.0393 -0.0450 69 LEU C CA ? ? 1 +8857 C CB . LEU C 47 0.4894 0.8478 0.9711 0.1033 0.0379 -0.0461 69 LEU C CB ? ? 1 +8858 C CG . LEU C 47 0.4975 0.8565 0.9804 0.1127 0.0422 -0.0477 69 LEU C CG ? ? 1 +8859 C CD1 . LEU C 47 0.5133 0.8555 0.9864 0.1164 0.0406 -0.0490 69 LEU C CD1 ? ? 1 +8860 C CD2 . LEU C 47 0.5032 0.8643 0.9827 0.1160 0.0480 -0.0505 69 LEU C CD2 ? ? 1 +8861 C C . LEU C 47 0.4731 0.8413 0.9577 0.0902 0.0347 -0.0441 69 LEU C C ? ? 1 +8862 O O . LEU C 47 0.4801 0.8405 0.9548 0.0875 0.0346 -0.0461 69 LEU C O ? ? 1 +8863 N N . PHE C 48 0.4636 0.8377 0.9560 0.0861 0.0308 -0.0411 70 PHE C N ? ? 1 +8864 C CA . PHE C 48 0.4597 0.8329 0.9509 0.0779 0.0265 -0.0399 70 PHE C CA ? ? 1 +8865 C CB . PHE C 48 0.4489 0.8287 0.9496 0.0749 0.0229 -0.0366 70 PHE C CB ? ? 1 +8866 C CG . PHE C 48 0.4442 0.8227 0.9441 0.0666 0.0182 -0.0354 70 PHE C CG ? ? 1 +8867 C CD1 . PHE C 48 0.4326 0.8219 0.9380 0.0621 0.0178 -0.0342 70 PHE C CD1 ? ? 1 +8868 C CD2 . PHE C 48 0.4528 0.8191 0.9464 0.0634 0.0145 -0.0358 70 PHE C CD2 ? ? 1 +8869 C CE1 . PHE C 48 0.4281 0.8167 0.9332 0.0550 0.0135 -0.0333 70 PHE C CE1 ? ? 1 +8870 C CE2 . PHE C 48 0.4481 0.8141 0.9420 0.0558 0.0103 -0.0350 70 PHE C CE2 ? ? 1 +8871 C CZ . PHE C 48 0.4356 0.8129 0.9352 0.0518 0.0098 -0.0338 70 PHE C CZ ? ? 1 +8872 C C . PHE C 48 0.4539 0.8360 0.9468 0.0748 0.0283 -0.0400 70 PHE C C ? ? 1 +8873 O O . PHE C 48 0.4586 0.8346 0.9437 0.0705 0.0266 -0.0413 70 PHE C O ? ? 1 +8874 N N . GLU C 49 0.4437 0.8402 0.9470 0.0771 0.0316 -0.0386 71 GLU C N ? ? 1 +8875 C CA . GLU C 49 0.4376 0.8425 0.9426 0.0745 0.0339 -0.0385 71 GLU C CA ? ? 1 +8876 C CB . GLU C 49 0.4263 0.8472 0.9440 0.0774 0.0378 -0.0370 71 GLU C CB ? ? 1 +8877 C CG . GLU C 49 0.4111 0.8427 0.9406 0.0742 0.0345 -0.0336 71 GLU C CG ? ? 1 +8878 C CD . GLU C 49 0.3986 0.8466 0.9403 0.0753 0.0379 -0.0322 71 GLU C CD ? ? 1 +8879 O OE1 . GLU C 49 0.4023 0.8540 0.9437 0.0781 0.0431 -0.0337 71 GLU C OE1 ? ? 1 +8880 O OE2 . GLU C 49 0.3861 0.8431 0.9377 0.0733 0.0355 -0.0296 71 GLU C OE2 ? ? 1 +8881 C C . GLU C 49 0.4517 0.8474 0.9445 0.0760 0.0368 -0.0417 71 GLU C C ? ? 1 +8882 O O . GLU C 49 0.4518 0.8451 0.9386 0.0716 0.0357 -0.0422 71 GLU C O ? ? 1 +8883 N N . LEU C 50 0.4645 0.8548 0.9531 0.0825 0.0406 -0.0439 72 LEU C N ? ? 1 +8884 C CA . LEU C 50 0.4788 0.8604 0.9557 0.0848 0.0441 -0.0470 72 LEU C CA ? ? 1 +8885 C CB . LEU C 50 0.4878 0.8662 0.9633 0.0930 0.0487 -0.0491 72 LEU C CB ? ? 1 +8886 C CG . LEU C 50 0.5028 0.8716 0.9659 0.0962 0.0529 -0.0526 72 LEU C CG ? ? 1 +8887 C CD1 . LEU C 50 0.4990 0.8754 0.9622 0.0945 0.0569 -0.0526 72 LEU C CD1 ? ? 1 +8888 C CD2 . LEU C 50 0.5122 0.8792 0.9754 0.1046 0.0574 -0.0544 72 LEU C CD2 ? ? 1 +8889 C C . LEU C 50 0.4907 0.8573 0.9543 0.0808 0.0399 -0.0488 72 LEU C C ? ? 1 +8890 O O . LEU C 50 0.4951 0.8577 0.9502 0.0789 0.0407 -0.0504 72 LEU C O ? ? 1 +8891 N N . ALA C 51 0.4979 0.8560 0.9595 0.0796 0.0354 -0.0487 73 ALA C N ? ? 1 +8892 C CA . ALA C 51 0.5110 0.8554 0.9614 0.0752 0.0309 -0.0504 73 ALA C CA ? ? 1 +8893 C CB . ALA C 51 0.5141 0.8511 0.9649 0.0744 0.0270 -0.0498 73 ALA C CB ? ? 1 +8894 C C . ALA C 51 0.5050 0.8534 0.9556 0.0680 0.0274 -0.0495 73 ALA C C ? ? 1 +8895 O O . ALA C 51 0.5159 0.8552 0.9560 0.0652 0.0253 -0.0517 73 ALA C O ? ? 1 +8896 N N . HIS C 52 0.4914 0.8536 0.9541 0.0653 0.0267 -0.0462 74 HIS C N ? ? 1 +8897 C CA . HIS C 52 0.4861 0.8537 0.9508 0.0589 0.0233 -0.0449 74 HIS C CA ? ? 1 +8898 C CB . HIS C 52 0.4738 0.8506 0.9507 0.0556 0.0201 -0.0415 74 HIS C CB ? ? 1 +8899 C CG . HIS C 52 0.4817 0.8491 0.9564 0.0536 0.0158 -0.0418 74 HIS C CG ? ? 1 +8900 N ND1 . HIS C 52 0.4853 0.8474 0.9562 0.0473 0.0107 -0.0423 74 HIS C ND1 ? ? 1 +8901 C CE1 . HIS C 52 0.4904 0.8441 0.9599 0.0468 0.0083 -0.0424 74 HIS C CE1 ? ? 1 +8902 N NE2 . HIS C 52 0.4927 0.8457 0.9643 0.0527 0.0114 -0.0420 74 HIS C NE2 ? ? 1 +8903 C CD2 . HIS C 52 0.4878 0.8501 0.9633 0.0570 0.0161 -0.0416 74 HIS C CD2 ? ? 1 +8904 C C . HIS C 52 0.4825 0.8587 0.9482 0.0592 0.0271 -0.0445 74 HIS C C ? ? 1 +8905 O O . HIS C 52 0.4780 0.8606 0.9467 0.0545 0.0249 -0.0430 74 HIS C O ? ? 1 +8906 N N . PHE C 53 0.4889 0.8649 0.9518 0.0647 0.0329 -0.0460 75 PHE C N ? ? 1 +8907 C CA . PHE C 53 0.4865 0.8707 0.9507 0.0654 0.0375 -0.0456 75 PHE C CA ? ? 1 +8908 C CB . PHE C 53 0.4885 0.8786 0.9581 0.0719 0.0441 -0.0459 75 PHE C CB ? ? 1 +8909 C CG . PHE C 53 0.4848 0.8839 0.9569 0.0728 0.0497 -0.0455 75 PHE C CG ? ? 1 +8910 C CD1 . PHE C 53 0.4720 0.8836 0.9537 0.0690 0.0493 -0.0427 75 PHE C CD1 ? ? 1 +8911 C CD2 . PHE C 53 0.4966 0.8914 0.9612 0.0772 0.0555 -0.0480 75 PHE C CD2 ? ? 1 +8912 C CE1 . PHE C 53 0.4704 0.8898 0.9542 0.0695 0.0548 -0.0423 75 PHE C CE1 ? ? 1 +8913 C CE2 . PHE C 53 0.4954 0.8982 0.9621 0.0777 0.0612 -0.0475 75 PHE C CE2 ? ? 1 +8914 C CZ . PHE C 53 0.4815 0.8965 0.9580 0.0737 0.0608 -0.0447 75 PHE C CZ ? ? 1 +8915 C C . PHE C 53 0.4996 0.8741 0.9496 0.0644 0.0379 -0.0481 75 PHE C C ? ? 1 +8916 O O . PHE C 53 0.5148 0.8772 0.9538 0.0672 0.0386 -0.0510 75 PHE C O ? ? 1 +8917 N N . ILE C 54 0.4964 0.8758 0.9461 0.0604 0.0371 -0.0469 76 ILE C N ? ? 1 +8918 C CA . ILE C 54 0.5084 0.8807 0.9453 0.0601 0.0385 -0.0489 76 ILE C CA ? ? 1 +8919 C CB . ILE C 54 0.5098 0.8794 0.9421 0.0540 0.0321 -0.0485 76 ILE C CB ? ? 1 +8920 C CG1 . ILE C 54 0.5168 0.8767 0.9450 0.0515 0.0256 -0.0501 76 ILE C CG1 ? ? 1 +8921 C CG2 . ILE C 54 0.5202 0.8842 0.9400 0.0538 0.0336 -0.0501 76 ILE C CG2 ? ? 1 +8922 C CD1 . ILE C 54 0.5040 0.8712 0.9440 0.0473 0.0208 -0.0476 76 ILE C CD1 ? ? 1 +8923 C C . ILE C 54 0.5034 0.8849 0.9439 0.0624 0.0454 -0.0478 76 ILE C C ? ? 1 +8924 O O . ILE C 54 0.4882 0.8813 0.9383 0.0598 0.0456 -0.0450 76 ILE C O ? ? 1 +8925 N N . PRO C 55 0.5172 0.8940 0.9502 0.0672 0.0515 -0.0500 77 PRO C N ? ? 1 +8926 C CA . PRO C 55 0.5145 0.9003 0.9516 0.0692 0.0587 -0.0491 77 PRO C CA ? ? 1 +8927 C CB . PRO C 55 0.5311 0.9078 0.9577 0.0748 0.0644 -0.0523 77 PRO C CB ? ? 1 +8928 C CG . PRO C 55 0.5405 0.9059 0.9614 0.0765 0.0604 -0.0545 77 PRO C CG ? ? 1 +8929 C CD . PRO C 55 0.5350 0.8975 0.9553 0.0708 0.0521 -0.0535 77 PRO C CD ? ? 1 +8930 C C . PRO C 55 0.5100 0.8992 0.9443 0.0654 0.0593 -0.0476 77 PRO C C ? ? 1 +8931 O O . PRO C 55 0.5067 0.9058 0.9478 0.0658 0.0645 -0.0461 77 PRO C O ? ? 1 +8932 N N . GLU C 56 0.5123 0.8933 0.9366 0.0617 0.0539 -0.0482 78 GLU C N ? ? 1 +8933 C CA . GLU C 56 0.5080 0.8908 0.9280 0.0585 0.0540 -0.0468 78 GLU C CA ? ? 1 +8934 C CB . GLU C 56 0.5254 0.8943 0.9287 0.0571 0.0498 -0.0491 78 GLU C CB ? ? 1 +8935 C CG . GLU C 56 0.5467 0.9038 0.9363 0.0618 0.0542 -0.0525 78 GLU C CG ? ? 1 +8936 C CD . GLU C 56 0.5559 0.9049 0.9431 0.0645 0.0524 -0.0551 78 GLU C CD ? ? 1 +8937 O OE1 . GLU C 56 0.5515 0.9007 0.9442 0.0619 0.0461 -0.0547 78 GLU C OE1 ? ? 1 +8938 O OE2 . GLU C 56 0.5686 0.9109 0.9483 0.0692 0.0575 -0.0575 78 GLU C OE2 ? ? 1 +8939 C C . GLU C 56 0.4840 0.8782 0.9161 0.0538 0.0503 -0.0434 78 GLU C C ? ? 1 +8940 O O . GLU C 56 0.4806 0.8789 0.9121 0.0517 0.0517 -0.0418 78 GLU C O ? ? 1 +8941 N N . LYS C 57 0.4677 0.8663 0.9099 0.0523 0.0457 -0.0424 79 LYS C N ? ? 1 +8942 C CA . LYS C 57 0.4456 0.8558 0.9006 0.0484 0.0428 -0.0392 79 LYS C CA ? ? 1 +8943 C CB . LYS C 57 0.4396 0.8490 0.8995 0.0458 0.0357 -0.0388 79 LYS C CB ? ? 1 +8944 C CG . LYS C 57 0.4462 0.8470 0.8969 0.0421 0.0292 -0.0399 79 LYS C CG ? ? 1 +8945 C CD . LYS C 57 0.4414 0.8410 0.8970 0.0394 0.0227 -0.0398 79 LYS C CD ? ? 1 +8946 C CE . LYS C 57 0.4246 0.8356 0.8931 0.0357 0.0198 -0.0366 79 LYS C CE ? ? 1 +8947 N NZ . LYS C 57 0.4218 0.8307 0.8945 0.0334 0.0145 -0.0366 79 LYS C NZ ? ? 1 +8948 C C . LYS C 57 0.4305 0.8533 0.8989 0.0506 0.0483 -0.0374 79 LYS C C ? ? 1 +8949 O O . LYS C 57 0.4328 0.8558 0.9042 0.0548 0.0515 -0.0385 79 LYS C O ? ? 1 +8950 N N . PRO C 58 0.4136 0.8473 0.8908 0.0478 0.0491 -0.0346 80 PRO C N ? ? 1 +8951 C CA . PRO C 58 0.3984 0.8450 0.8900 0.0492 0.0531 -0.0330 80 PRO C CA ? ? 1 +8952 C CB . PRO C 58 0.3875 0.8431 0.8854 0.0449 0.0522 -0.0301 80 PRO C CB ? ? 1 +8953 C CG . PRO C 58 0.3972 0.8440 0.8817 0.0425 0.0505 -0.0306 80 PRO C CG ? ? 1 +8954 C CD . PRO C 58 0.4098 0.8439 0.8834 0.0434 0.0462 -0.0331 80 PRO C CD ? ? 1 +8955 C C . PRO C 58 0.3887 0.8379 0.8893 0.0503 0.0496 -0.0327 80 PRO C C ? ? 1 +8956 O O . PRO C 58 0.3876 0.8325 0.8870 0.0478 0.0433 -0.0324 80 PRO C O ? ? 1 +8957 N N . MET C 59 0.3814 0.8377 0.8911 0.0542 0.0537 -0.0328 81 MET C N ? ? 1 +8958 C CA . MET C 59 0.3729 0.8322 0.8913 0.0558 0.0509 -0.0323 81 MET C CA ? ? 1 +8959 C CB . MET C 59 0.3689 0.8381 0.8977 0.0603 0.0565 -0.0324 81 MET C CB ? ? 1 +8960 C CG . MET C 59 0.3819 0.8447 0.9039 0.0658 0.0615 -0.0354 81 MET C CG ? ? 1 +8961 S SD . MET C 59 0.3763 0.8525 0.9122 0.0710 0.0677 -0.0356 81 MET C SD ? ? 1 +8962 C CE . MET C 59 0.3926 0.8606 0.9183 0.0763 0.0740 -0.0390 81 MET C CE ? ? 1 +8963 C C . MET C 59 0.3572 0.8226 0.8839 0.0512 0.0452 -0.0295 81 MET C C ? ? 1 +8964 O O . MET C 59 0.3549 0.8169 0.8829 0.0507 0.0405 -0.0293 81 MET C O ? ? 1 +8965 N N . TYR C 60 0.3459 0.8203 0.8782 0.0479 0.0460 -0.0275 82 TYR C N ? ? 1 +8966 C CA . TYR C 60 0.3318 0.8138 0.8734 0.0440 0.0415 -0.0248 82 TYR C CA ? ? 1 +8967 C CB . TYR C 60 0.3219 0.8155 0.8713 0.0421 0.0448 -0.0229 82 TYR C CB ? ? 1 +8968 C CG . TYR C 60 0.3274 0.8183 0.8685 0.0407 0.0484 -0.0233 82 TYR C CG ? ? 1 +8969 C CD1 . TYR C 60 0.3275 0.8140 0.8617 0.0366 0.0447 -0.0224 82 TYR C CD1 ? ? 1 +8970 C CD2 . TYR C 60 0.3334 0.8260 0.8733 0.0437 0.0555 -0.0245 82 TYR C CD2 ? ? 1 +8971 C CE1 . TYR C 60 0.3337 0.8169 0.8594 0.0357 0.0478 -0.0227 82 TYR C CE1 ? ? 1 +8972 C CE2 . TYR C 60 0.3395 0.8289 0.8711 0.0424 0.0591 -0.0247 82 TYR C CE2 ? ? 1 +8973 C CZ . TYR C 60 0.3400 0.8244 0.8640 0.0385 0.0552 -0.0237 82 TYR C CZ ? ? 1 +8974 O OH . TYR C 60 0.3467 0.8269 0.8613 0.0375 0.0586 -0.0239 82 TYR C OH ? ? 1 +8975 C C . TYR C 60 0.3329 0.8077 0.8681 0.0396 0.0349 -0.0244 82 TYR C C ? ? 1 +8976 O O . TYR C 60 0.3229 0.8021 0.8648 0.0366 0.0305 -0.0225 82 TYR C O ? ? 1 +8977 N N . GLU C 61 0.3452 0.8088 0.8673 0.0395 0.0343 -0.0265 83 GLU C N ? ? 1 +8978 C CA . GLU C 61 0.3487 0.8047 0.8643 0.0359 0.0280 -0.0268 83 GLU C CA ? ? 1 +8979 C CB . GLU C 61 0.3590 0.8065 0.8612 0.0351 0.0282 -0.0285 83 GLU C CB ? ? 1 +8980 C CG . GLU C 61 0.3527 0.8058 0.8555 0.0322 0.0287 -0.0267 83 GLU C CG ? ? 1 +8981 C CD . GLU C 61 0.3637 0.8073 0.8522 0.0316 0.0281 -0.0283 83 GLU C CD ? ? 1 +8982 O OE1 . GLU C 61 0.3748 0.8077 0.8536 0.0327 0.0262 -0.0309 83 GLU C OE1 ? ? 1 +8983 O OE2 . GLU C 61 0.3622 0.8086 0.8487 0.0302 0.0298 -0.0271 83 GLU C OE2 ? ? 1 +8984 C C . GLU C 61 0.3560 0.8037 0.8690 0.0370 0.0247 -0.0283 83 GLU C C ? ? 1 +8985 O O . GLU C 61 0.3590 0.8001 0.8669 0.0339 0.0195 -0.0290 83 GLU C O ? ? 1 +8986 N N . GLN C 62 0.3593 0.8072 0.8756 0.0415 0.0277 -0.0290 84 GLN C N ? ? 1 +8987 C CA . GLN C 62 0.3688 0.8068 0.8804 0.0433 0.0255 -0.0308 84 GLN C CA ? ? 1 +8988 C CB . GLN C 62 0.3831 0.8130 0.8854 0.0482 0.0300 -0.0337 84 GLN C CB ? ? 1 +8989 C CG . GLN C 62 0.3927 0.8161 0.8832 0.0471 0.0310 -0.0354 84 GLN C CG ? ? 1 +8990 C CD . GLN C 62 0.4081 0.8229 0.8891 0.0520 0.0354 -0.0383 84 GLN C CD ? ? 1 +8991 O OE1 . GLN C 62 0.4191 0.8234 0.8934 0.0535 0.0335 -0.0403 84 GLN C OE1 ? ? 1 +8992 N NE2 . GLN C 62 0.4106 0.8291 0.8903 0.0545 0.0415 -0.0386 84 GLN C NE2 ? ? 1 +8993 C C . GLN C 62 0.3631 0.8052 0.8843 0.0447 0.0243 -0.0294 84 GLN C C ? ? 1 +8994 O O . GLN C 62 0.3709 0.8043 0.8881 0.0464 0.0227 -0.0307 84 GLN C O ? ? 1 +8995 N N . GLY C 63 0.3507 0.8052 0.8839 0.0437 0.0246 -0.0267 85 GLY C N ? ? 1 +8996 C CA . GLY C 63 0.3448 0.8036 0.8871 0.0447 0.0228 -0.0250 85 GLY C CA ? ? 1 +8997 C C . GLY C 63 0.3497 0.8097 0.8950 0.0511 0.0268 -0.0259 85 GLY C C ? ? 1 +8998 O O . GLY C 63 0.3515 0.8089 0.8991 0.0532 0.0251 -0.0256 85 GLY C O ? ? 1 +8999 N N . LEU C 64 0.3534 0.8175 0.8988 0.0542 0.0322 -0.0270 86 LEU C N ? ? 1 +9000 C CA . LEU C 64 0.3600 0.8249 0.9073 0.0607 0.0364 -0.0284 86 LEU C CA ? ? 1 +9001 C CB . LEU C 64 0.3708 0.8308 0.9096 0.0634 0.0414 -0.0310 86 LEU C CB ? ? 1 +9002 C CG . LEU C 64 0.3836 0.8291 0.9078 0.0617 0.0394 -0.0331 86 LEU C CG ? ? 1 +9003 C CD1 . LEU C 64 0.3950 0.8361 0.9108 0.0649 0.0448 -0.0356 86 LEU C CD1 ? ? 1 +9004 C CD2 . LEU C 64 0.3914 0.8261 0.9109 0.0631 0.0358 -0.0340 86 LEU C CD2 ? ? 1 +9005 C C . LEU C 64 0.3493 0.8293 0.9107 0.0621 0.0385 -0.0266 86 LEU C C ? ? 1 +9006 O O . LEU C 64 0.3427 0.8317 0.9090 0.0593 0.0401 -0.0254 86 LEU C O ? ? 1 +9007 N N . ILE C 65 0.3498 0.8320 0.9171 0.0664 0.0382 -0.0264 87 ILE C N ? ? 1 +9008 C CA . ILE C 65 0.3407 0.8370 0.9212 0.0688 0.0403 -0.0253 87 ILE C CA ? ? 1 +9009 C CB . ILE C 65 0.3304 0.8312 0.9187 0.0670 0.0354 -0.0227 87 ILE C CB ? ? 1 +9010 C CG1 . ILE C 65 0.3381 0.8287 0.9219 0.0698 0.0322 -0.0229 87 ILE C CG1 ? ? 1 +9011 C CG2 . ILE C 65 0.3223 0.8245 0.9105 0.0600 0.0320 -0.0206 87 ILE C CG2 ? ? 1 +9012 C CD1 . ILE C 65 0.3293 0.8236 0.9199 0.0682 0.0276 -0.0202 87 ILE C CD1 ? ? 1 +9013 C C . ILE C 65 0.3490 0.8468 0.9315 0.0760 0.0447 -0.0275 87 ILE C C ? ? 1 +9014 O O . ILE C 65 0.3439 0.8541 0.9367 0.0782 0.0480 -0.0274 87 ILE C O ? ? 1 +9015 N N . LEU C 66 0.3626 0.8482 0.9357 0.0798 0.0449 -0.0295 88 LEU C N ? ? 1 +9016 C CA . LEU C 66 0.3706 0.8570 0.9453 0.0871 0.0489 -0.0317 88 LEU C CA ? ? 1 +9017 C CB . LEU C 66 0.3816 0.8555 0.9495 0.0907 0.0459 -0.0324 88 LEU C CB ? ? 1 +9018 C CG . LEU C 66 0.3757 0.8515 0.9497 0.0903 0.0408 -0.0299 88 LEU C CG ? ? 1 +9019 C CD1 . LEU C 66 0.3873 0.8534 0.9568 0.0962 0.0396 -0.0309 88 LEU C CD1 ? ? 1 +9020 C CD2 . LEU C 66 0.3626 0.8553 0.9514 0.0910 0.0413 -0.0283 88 LEU C CD2 ? ? 1 +9021 C C . LEU C 66 0.3792 0.8641 0.9484 0.0891 0.0550 -0.0342 88 LEU C C ? ? 1 +9022 O O . LEU C 66 0.3795 0.8741 0.9561 0.0929 0.0598 -0.0353 88 LEU C O ? ? 1 +9023 N N . ILE C 67 0.3877 0.8606 0.9439 0.0865 0.0547 -0.0354 89 ILE C N ? ? 1 +9024 C CA . ILE C 67 0.3962 0.8667 0.9458 0.0880 0.0604 -0.0377 89 ILE C CA ? ? 1 +9025 C CB . ILE C 67 0.4067 0.8626 0.9409 0.0845 0.0584 -0.0387 89 ILE C CB ? ? 1 +9026 C CG1 . ILE C 67 0.4202 0.8616 0.9451 0.0876 0.0557 -0.0404 89 ILE C CG1 ? ? 1 +9027 C CG2 . ILE C 67 0.4143 0.8683 0.9412 0.0847 0.0640 -0.0405 89 ILE C CG2 ? ? 1 +9028 C CD1 . ILE C 67 0.4313 0.8575 0.9409 0.0841 0.0530 -0.0418 89 ILE C CD1 ? ? 1 +9029 C C . ILE C 67 0.3863 0.8706 0.9445 0.0861 0.0650 -0.0369 89 ILE C C ? ? 1 +9030 O O . ILE C 67 0.3905 0.8785 0.9496 0.0897 0.0712 -0.0387 89 ILE C O ? ? 1 +9031 N N . PRO C 68 0.3734 0.8656 0.9380 0.0804 0.0623 -0.0342 90 PRO C N ? ? 1 +9032 C CA . PRO C 68 0.3638 0.8695 0.9378 0.0786 0.0664 -0.0333 90 PRO C CA ? ? 1 +9033 C CB . PRO C 68 0.3509 0.8612 0.9297 0.0724 0.0612 -0.0303 90 PRO C CB ? ? 1 +9034 C CG . PRO C 68 0.3569 0.8540 0.9249 0.0699 0.0557 -0.0300 90 PRO C CG ? ? 1 +9035 C CD . PRO C 68 0.3682 0.8559 0.9307 0.0753 0.0555 -0.0321 90 PRO C CD ? ? 1 +9036 C C . PRO C 68 0.3584 0.8771 0.9457 0.0834 0.0702 -0.0340 90 PRO C C ? ? 1 +9037 O O . PRO C 68 0.3559 0.8832 0.9482 0.0835 0.0759 -0.0347 90 PRO C O ? ? 1 +9038 N N . HIS C 69 0.3565 0.8764 0.9493 0.0871 0.0670 -0.0338 91 HIS C N ? ? 1 +9039 C CA . HIS C 69 0.3522 0.8839 0.9574 0.0924 0.0697 -0.0347 91 HIS C CA ? ? 1 +9040 C CB . HIS C 69 0.3483 0.8807 0.9590 0.0954 0.0644 -0.0336 91 HIS C CB ? ? 1 +9041 C CG . HIS C 69 0.3343 0.8755 0.9542 0.0909 0.0599 -0.0307 91 HIS C CG ? ? 1 +9042 N ND1 . HIS C 69 0.3257 0.8811 0.9597 0.0930 0.0601 -0.0302 91 HIS C ND1 ? ? 1 +9043 C CE1 . HIS C 69 0.3151 0.8746 0.9535 0.0880 0.0557 -0.0275 91 HIS C CE1 ? ? 1 +9044 N NE2 . HIS C 69 0.3165 0.8652 0.9445 0.0830 0.0527 -0.0262 91 HIS C NE2 ? ? 1 +9045 C CD2 . HIS C 69 0.3288 0.8660 0.9452 0.0848 0.0552 -0.0283 91 HIS C CD2 ? ? 1 +9046 C C . HIS C 69 0.3650 0.8940 0.9666 0.0985 0.0758 -0.0379 91 HIS C C ? ? 1 +9047 O O . HIS C 69 0.3648 0.9053 0.9755 0.1009 0.0811 -0.0392 91 HIS C O ? ? 1 +9048 N N . ILE C 70 0.3782 0.8921 0.9664 0.1007 0.0751 -0.0394 92 ILE C N ? ? 1 +9049 C CA . ILE C 70 0.3912 0.9006 0.9742 0.1066 0.0807 -0.0426 92 ILE C CA ? ? 1 +9050 C CB . ILE C 70 0.4060 0.8974 0.9744 0.1091 0.0781 -0.0440 92 ILE C CB ? ? 1 +9051 C CG1 . ILE C 70 0.4045 0.8923 0.9750 0.1111 0.0719 -0.0428 92 ILE C CG1 ? ? 1 +9052 C CG2 . ILE C 70 0.4205 0.9072 0.9834 0.1156 0.0841 -0.0474 92 ILE C CG2 ? ? 1 +9053 C CD1 . ILE C 70 0.4170 0.8863 0.9727 0.1113 0.0683 -0.0436 92 ILE C CD1 ? ? 1 +9054 C C . ILE C 70 0.3941 0.9057 0.9737 0.1043 0.0872 -0.0436 92 ILE C C ? ? 1 +9055 O O . ILE C 70 0.3972 0.9151 0.9811 0.1084 0.0937 -0.0457 92 ILE C O ? ? 1 +9056 N N . ALA C 71 0.3923 0.8983 0.9641 0.0978 0.0855 -0.0422 93 ALA C N ? ? 1 +9057 C CA . ALA C 71 0.3959 0.9024 0.9628 0.0951 0.0911 -0.0428 93 ALA C CA ? ? 1 +9058 C CB . ALA C 71 0.3951 0.8935 0.9523 0.0884 0.0871 -0.0410 93 ALA C CB ? ? 1 +9059 C C . ALA C 71 0.3862 0.9095 0.9671 0.0943 0.0963 -0.0423 93 ALA C C ? ? 1 +9060 O O . ALA C 71 0.3912 0.9170 0.9711 0.0956 0.1034 -0.0440 93 ALA C O ? ? 1 +9061 N N . THR C 72 0.3730 0.9075 0.9666 0.0920 0.0927 -0.0402 94 THR C N ? ? 1 +9062 C CA . THR C 72 0.3637 0.9147 0.9718 0.0908 0.0966 -0.0397 94 THR C CA ? ? 1 +9063 C CB . THR C 72 0.3490 0.9091 0.9685 0.0880 0.0905 -0.0371 94 THR C CB ? ? 1 +9064 O OG1 . THR C 72 0.3461 0.8989 0.9582 0.0820 0.0854 -0.0347 94 THR C OG1 ? ? 1 +9065 C CG2 . THR C 72 0.3380 0.9153 0.9728 0.0863 0.0939 -0.0367 94 THR C CG2 ? ? 1 +9066 C C . THR C 72 0.3688 0.9280 0.9850 0.0973 0.1027 -0.0425 94 THR C C ? ? 1 +9067 O O . THR C 72 0.3651 0.9353 0.9893 0.0966 0.1088 -0.0433 94 THR C O ? ? 1 +9068 N N . LEU C 73 0.3778 0.9316 0.9919 0.1036 0.1009 -0.0441 95 LEU C N ? ? 1 +9069 C CA . LEU C 73 0.3854 0.9461 1.0067 0.1107 0.1062 -0.0470 95 LEU C CA ? ? 1 +9070 C CB . LEU C 73 0.3890 0.9460 1.0114 0.1168 0.1012 -0.0476 95 LEU C CB ? ? 1 +9071 C CG . LEU C 73 0.3772 0.9424 1.0107 0.1159 0.0947 -0.0453 95 LEU C CG ? ? 1 +9072 C CD1 . LEU C 73 0.3832 0.9436 1.0165 0.1227 0.0907 -0.0461 95 LEU C CD1 ? ? 1 +9073 C CD2 . LEU C 73 0.3647 0.9496 1.0158 0.1150 0.0975 -0.0453 95 LEU C CD2 ? ? 1 +9074 C C . LEU C 73 0.4006 0.9541 1.0118 0.1132 0.1135 -0.0497 95 LEU C C ? ? 1 +9075 O O . LEU C 73 0.4053 0.9632 1.0210 0.1194 0.1182 -0.0524 95 LEU C O ? ? 1 +9076 N N . GLY C 74 0.4091 0.9514 1.0064 0.1087 0.1142 -0.0491 96 GLY C N ? ? 1 +9077 C CA . GLY C 74 0.4240 0.9596 1.0111 0.1104 0.1215 -0.0514 96 GLY C CA ? ? 1 +9078 C C . GLY C 74 0.4411 0.9590 1.0120 0.1142 0.1202 -0.0532 96 GLY C C ? ? 1 +9079 O O . GLY C 74 0.4543 0.9651 1.0151 0.1159 0.1259 -0.0553 96 GLY C O ? ? 1 +9080 N N . TRP C 75 0.4433 0.9536 1.0111 0.1153 0.1127 -0.0524 97 TRP C N ? ? 1 +9081 C CA . TRP C 75 0.4598 0.9530 1.0125 0.1186 0.1108 -0.0541 97 TRP C CA ? ? 1 +9082 C CB . TRP C 75 0.4590 0.9501 1.0155 0.1233 0.1054 -0.0542 97 TRP C CB ? ? 1 +9083 C CG . TRP C 75 0.4613 0.9601 1.0267 0.1313 0.1097 -0.0566 97 TRP C CG ? ? 1 +9084 C CD1 . TRP C 75 0.4732 0.9699 1.0346 0.1366 0.1167 -0.0597 97 TRP C CD1 ? ? 1 +9085 N NE1 . TRP C 75 0.4727 0.9787 1.0455 0.1437 0.1186 -0.0613 97 TRP C NE1 ? ? 1 +9086 C CE2 . TRP C 75 0.4600 0.9740 1.0439 0.1431 0.1125 -0.0592 97 TRP C CE2 ? ? 1 +9087 C CZ2 . TRP C 75 0.4554 0.9800 1.0526 0.1489 0.1113 -0.0597 97 TRP C CZ2 ? ? 1 +9088 C CH2 . TRP C 75 0.4431 0.9732 1.0485 0.1467 0.1046 -0.0570 97 TRP C CH2 ? ? 1 +9089 C CZ3 . TRP C 75 0.4354 0.9612 1.0366 0.1388 0.0994 -0.0539 97 TRP C CZ3 ? ? 1 +9090 C CE3 . TRP C 75 0.4396 0.9555 1.0284 0.1331 0.1005 -0.0535 97 TRP C CE3 ? ? 1 +9091 C CD2 . TRP C 75 0.4523 0.9618 1.0318 0.1353 0.1070 -0.0561 97 TRP C CD2 ? ? 1 +9092 C C . TRP C 75 0.4666 0.9460 1.0045 0.1127 0.1066 -0.0529 97 TRP C C ? ? 1 +9093 O O . TRP C 75 0.4560 0.9363 0.9960 0.1075 0.1005 -0.0503 97 TRP C O ? ? 1 +9094 N N . GLY C 76 0.4854 0.9523 1.0083 0.1139 0.1099 -0.0550 98 GLY C N ? ? 1 +9095 C CA . GLY C 76 0.4945 0.9461 1.0016 0.1098 0.1055 -0.0547 98 GLY C CA ? ? 1 +9096 C C . GLY C 76 0.4949 0.9471 0.9973 0.1035 0.1069 -0.0533 98 GLY C C ? ? 1 +9097 O O . GLY C 76 0.5038 0.9440 0.9931 0.1001 0.1032 -0.0531 98 GLY C O ? ? 1 +9098 N N . VAL C 77 0.4885 0.9545 1.0014 0.1021 0.1121 -0.0523 99 VAL C N ? ? 1 +9099 C CA . VAL C 77 0.4860 0.9535 0.9959 0.0959 0.1129 -0.0504 99 VAL C CA ? ? 1 +9100 C CB . VAL C 77 0.4675 0.9476 0.9913 0.0910 0.1088 -0.0471 99 VAL C CB ? ? 1 +9101 C CG1 . VAL C 77 0.4622 0.9366 0.9844 0.0887 0.0994 -0.0456 99 VAL C CG1 ? ? 1 +9102 C CG2 . VAL C 77 0.4579 0.9546 0.9999 0.0939 0.1121 -0.0472 99 VAL C CG2 ? ? 1 +9103 C C . VAL C 77 0.4945 0.9659 1.0032 0.0968 0.1225 -0.0516 99 VAL C C ? ? 1 +9104 O O . VAL C 77 0.4969 0.9752 1.0127 0.1016 0.1285 -0.0535 99 VAL C O ? ? 1 +9105 N N . GLY C 78 0.5008 0.9675 1.0002 0.0921 0.1237 -0.0505 100 GLY C N ? ? 1 +9106 C CA . GLY C 78 0.5114 0.9798 1.0074 0.0920 0.1327 -0.0513 100 GLY C CA ? ? 1 +9107 C C . GLY C 78 0.5072 0.9812 1.0055 0.0854 0.1329 -0.0484 100 GLY C C ? ? 1 +9108 O O . GLY C 78 0.4931 0.9738 1.0004 0.0817 0.1270 -0.0460 100 GLY C O ? ? 1 +9109 N N . PRO C 79 0.5215 0.9923 1.0114 0.0839 0.1397 -0.0486 101 PRO C N ? ? 1 +9110 C CA . PRO C 79 0.5198 0.9958 1.0120 0.0780 0.1408 -0.0459 101 PRO C CA ? ? 1 +9111 C CB . PRO C 79 0.5350 1.0018 1.0121 0.0781 0.1484 -0.0469 101 PRO C CB ? ? 1 +9112 C CG . PRO C 79 0.5438 1.0080 1.0186 0.0845 0.1542 -0.0504 101 PRO C CG ? ? 1 +9113 C CD . PRO C 79 0.5403 1.0016 1.0173 0.0879 0.1467 -0.0514 101 PRO C CD ? ? 1 +9114 C C . PRO C 79 0.5182 0.9900 1.0071 0.0732 0.1314 -0.0433 101 PRO C C ? ? 1 +9115 O O . PRO C 79 0.5271 0.9863 1.0035 0.0735 0.1257 -0.0439 101 PRO C O ? ? 1 +9116 N N . GLY C 80 0.5101 0.9931 1.0110 0.0688 0.1297 -0.0407 102 GLY C N ? ? 1 +9117 C CA . GLY C 80 0.5069 0.9878 1.0066 0.0642 0.1212 -0.0381 102 GLY C CA ? ? 1 +9118 C C . GLY C 80 0.5058 0.9876 1.0116 0.0652 0.1127 -0.0379 102 GLY C C ? ? 1 +9119 O O . GLY C 80 0.5005 0.9806 1.0058 0.0615 0.1055 -0.0360 102 GLY C O ? ? 1 +9120 N N . GLY C 81 0.5170 1.0017 1.0291 0.0701 0.1138 -0.0399 103 GLY C N ? ? 1 +9121 C CA . GLY C 81 0.5158 0.9998 1.0324 0.0717 0.1065 -0.0399 103 GLY C CA ? ? 1 +9122 C C . GLY C 81 0.5340 1.0018 1.0352 0.0729 0.1017 -0.0413 103 GLY C C ? ? 1 +9123 O O . GLY C 81 0.5354 1.0004 1.0380 0.0727 0.0947 -0.0409 103 GLY C O ? ? 1 +9124 N N . GLU C 82 0.5551 1.0118 1.0413 0.0741 0.1055 -0.0431 104 GLU C N ? ? 1 +9125 C CA . GLU C 82 0.5740 1.0150 1.0448 0.0754 0.1014 -0.0449 104 GLU C CA ? ? 1 +9126 C CB . GLU C 82 0.6076 1.0379 1.0618 0.0758 0.1063 -0.0464 104 GLU C CB ? ? 1 +9127 C CG . GLU C 82 0.6464 1.0601 1.0839 0.0763 0.1012 -0.0482 104 GLU C CG ? ? 1 +9128 C CD . GLU C 82 0.6785 1.0808 1.0983 0.0754 0.1036 -0.0490 104 GLU C CD ? ? 1 +9129 O OE1 . GLU C 82 0.6766 1.0790 1.0936 0.0708 0.1009 -0.0470 104 GLU C OE1 ? ? 1 +9130 O OE2 . GLU C 82 0.7081 1.1012 1.1167 0.0794 0.1080 -0.0518 104 GLU C OE2 ? ? 1 +9131 C C . GLU C 82 0.5697 1.0082 1.0426 0.0809 0.1012 -0.0472 104 GLU C C ? ? 1 +9132 O O . GLU C 82 0.5736 1.0187 1.0534 0.0852 0.1075 -0.0485 104 GLU C O ? ? 1 +9133 N N . VAL C 83 0.5633 0.9925 1.0305 0.0808 0.0941 -0.0477 105 VAL C N ? ? 1 +9134 C CA . VAL C 83 0.5620 0.9866 1.0292 0.0861 0.0935 -0.0499 105 VAL C CA ? ? 1 +9135 C CB . VAL C 83 0.5552 0.9740 1.0220 0.0844 0.0847 -0.0494 105 VAL C CB ? ? 1 +9136 C CG1 . VAL C 83 0.5625 0.9731 1.0257 0.0899 0.0845 -0.0519 105 VAL C CG1 ? ? 1 +9137 C CG2 . VAL C 83 0.5358 0.9675 1.0183 0.0813 0.0808 -0.0463 105 VAL C CG2 ? ? 1 +9138 C C . VAL C 83 0.5765 0.9883 1.0284 0.0900 0.0980 -0.0532 105 VAL C C ? ? 1 +9139 O O . VAL C 83 0.5871 0.9868 1.0244 0.0880 0.0954 -0.0540 105 VAL C O ? ? 1 +9140 N N . VAL C 84 0.5756 0.9906 1.0311 0.0959 0.1045 -0.0551 106 VAL C N ? ? 1 +9141 C CA . VAL C 84 0.5883 0.9922 1.0303 0.1003 0.1097 -0.0584 106 VAL C CA ? ? 1 +9142 C CB . VAL C 84 0.5877 1.0006 1.0348 0.1034 0.1198 -0.0592 106 VAL C CB ? ? 1 +9143 C CG1 . VAL C 84 0.5810 0.9995 1.0283 0.0982 0.1227 -0.0571 106 VAL C CG1 ? ? 1 +9144 C CG2 . VAL C 84 0.5768 1.0043 1.0421 0.1072 0.1223 -0.0591 106 VAL C CG2 ? ? 1 +9145 C C . VAL C 84 0.5957 0.9908 1.0339 0.1055 0.1075 -0.0608 106 VAL C C ? ? 1 +9146 O O . VAL C 84 0.6142 0.9966 1.0385 0.1087 0.1097 -0.0636 106 VAL C O ? ? 1 +9147 N N . ASP C 85 0.5831 0.9845 1.0333 0.1065 0.1034 -0.0597 107 ASP C N ? ? 1 +9148 C CA . ASP C 85 0.5873 0.9818 1.0358 0.1120 0.1020 -0.0618 107 ASP C CA ? ? 1 +9149 C CB . ASP C 85 0.5921 0.9928 1.0461 0.1191 0.1102 -0.0639 107 ASP C CB ? ? 1 +9150 C CG . ASP C 85 0.6050 0.9975 1.0555 0.1259 0.1100 -0.0664 107 ASP C CG ? ? 1 +9151 O OD1 . ASP C 85 0.6142 0.9948 1.0570 0.1250 0.1036 -0.0667 107 ASP C OD1 ? ? 1 +9152 O OD2 . ASP C 85 0.6105 1.0081 1.0657 0.1320 0.1164 -0.0683 107 ASP C OD2 ? ? 1 +9153 C C . ASP C 85 0.5704 0.9700 1.0300 0.1108 0.0952 -0.0597 107 ASP C C ? ? 1 +9154 O O . ASP C 85 0.5600 0.9741 1.0352 0.1114 0.0962 -0.0579 107 ASP C O ? ? 1 +9155 N N . THR C 86 0.5672 0.9545 1.0186 0.1091 0.0885 -0.0600 108 THR C N ? ? 1 +9156 C CA . THR C 86 0.5527 0.9427 1.0126 0.1077 0.0820 -0.0580 108 THR C CA ? ? 1 +9157 C CB . THR C 86 0.5533 0.9308 1.0032 0.1025 0.0745 -0.0577 108 THR C CB ? ? 1 +9158 O OG1 . THR C 86 0.5708 0.9321 1.0060 0.1056 0.0747 -0.0610 108 THR C OG1 ? ? 1 +9159 C CG2 . THR C 86 0.5470 0.9259 0.9934 0.0959 0.0728 -0.0564 108 THR C CG2 ? ? 1 +9160 C C . THR C 86 0.5536 0.9424 1.0176 0.1146 0.0827 -0.0592 108 THR C C ? ? 1 +9161 O O . THR C 86 0.5448 0.9361 1.0163 0.1143 0.0781 -0.0576 108 THR C O ? ? 1 +9162 N N . PHE C 87 0.5655 0.9498 1.0240 0.1209 0.0885 -0.0622 109 PHE C N ? ? 1 +9163 C CA . PHE C 87 0.5727 0.9534 1.0327 0.1279 0.0889 -0.0637 109 PHE C CA ? ? 1 +9164 C CB . PHE C 87 0.5924 0.9658 1.0431 0.1343 0.0956 -0.0674 109 PHE C CB ? ? 1 +9165 C CG . PHE C 87 0.6060 0.9730 1.0559 0.1417 0.0954 -0.0692 109 PHE C CG ? ? 1 +9166 C CD1 . PHE C 87 0.6155 0.9672 1.0559 0.1413 0.0895 -0.0697 109 PHE C CD1 ? ? 1 +9167 C CD2 . PHE C 87 0.6081 0.9848 1.0675 0.1491 0.1010 -0.0704 109 PHE C CD2 ? ? 1 +9168 C CE1 . PHE C 87 0.6259 0.9710 1.0651 0.1482 0.0894 -0.0712 109 PHE C CE1 ? ? 1 +9169 C CE2 . PHE C 87 0.6184 0.9891 1.0769 0.1563 0.1006 -0.0720 109 PHE C CE2 ? ? 1 +9170 C CZ . PHE C 87 0.6280 0.9826 1.0761 0.1559 0.0948 -0.0723 109 PHE C CZ ? ? 1 +9171 C C . PHE C 87 0.5562 0.9528 1.0341 0.1309 0.0894 -0.0619 109 PHE C C ? ? 1 +9172 O O . PHE C 87 0.5567 0.9509 1.0378 0.1336 0.0856 -0.0615 109 PHE C O ? ? 1 +9173 N N . PRO C 88 0.5382 0.9513 1.0283 0.1304 0.0939 -0.0609 110 PRO C N ? ? 1 +9174 C CA . PRO C 88 0.5211 0.9499 1.0286 0.1324 0.0936 -0.0592 110 PRO C CA ? ? 1 +9175 C CB . PRO C 88 0.5130 0.9570 1.0298 0.1300 0.0991 -0.0586 110 PRO C CB ? ? 1 +9176 C CG . PRO C 88 0.5273 0.9629 1.0313 0.1304 0.1048 -0.0610 110 PRO C CG ? ? 1 +9177 C CD . PRO C 88 0.5381 0.9552 1.0255 0.1278 0.0996 -0.0614 110 PRO C CD ? ? 1 +9178 C C . PRO C 88 0.5067 0.9365 1.0193 0.1282 0.0857 -0.0562 110 PRO C C ? ? 1 +9179 O O . PRO C 88 0.5022 0.9365 1.0233 0.1318 0.0834 -0.0554 110 PRO C O ? ? 1 +9180 N N . PHE C 89 0.4995 0.9244 1.0064 0.1207 0.0814 -0.0544 111 PHE C N ? ? 1 +9181 C CA . PHE C 89 0.4878 0.9128 0.9986 0.1164 0.0742 -0.0516 111 PHE C CA ? ? 1 +9182 C CB . PHE C 89 0.4823 0.9040 0.9876 0.1080 0.0705 -0.0500 111 PHE C CB ? ? 1 +9183 C CG . PHE C 89 0.4743 0.9065 0.9837 0.1045 0.0745 -0.0493 111 PHE C CG ? ? 1 +9184 C CD1 . PHE C 89 0.4627 0.9115 0.9866 0.1057 0.0780 -0.0481 111 PHE C CD1 ? ? 1 +9185 C CD2 . PHE C 89 0.4798 0.9048 0.9782 0.1001 0.0747 -0.0497 111 PHE C CD2 ? ? 1 +9186 C CE1 . PHE C 89 0.4563 0.9137 0.9834 0.1022 0.0819 -0.0474 111 PHE C CE1 ? ? 1 +9187 C CE2 . PHE C 89 0.4741 0.9076 0.9753 0.0971 0.0785 -0.0489 111 PHE C CE2 ? ? 1 +9188 C CZ . PHE C 89 0.4621 0.9116 0.9776 0.0980 0.0822 -0.0477 111 PHE C CZ ? ? 1 +9189 C C . PHE C 89 0.4967 0.9083 1.0006 0.1196 0.0701 -0.0524 111 PHE C C ? ? 1 +9190 O O . PHE C 89 0.4910 0.9059 1.0024 0.1206 0.0664 -0.0507 111 PHE C O ? ? 1 +9191 N N . PHE C 90 0.5114 0.9076 1.0007 0.1212 0.0710 -0.0551 112 PHE C N ? ? 1 +9192 C CA . PHE C 90 0.5217 0.9035 1.0028 0.1246 0.0679 -0.0563 112 PHE C CA ? ? 1 +9193 C CB . PHE C 90 0.5403 0.9060 1.0048 0.1259 0.0698 -0.0597 112 PHE C CB ? ? 1 +9194 C CG . PHE C 90 0.5545 0.9032 1.0086 0.1278 0.0661 -0.0610 112 PHE C CG ? ? 1 +9195 C CD1 . PHE C 90 0.5537 0.8953 1.0049 0.1220 0.0594 -0.0594 112 PHE C CD1 ? ? 1 +9196 C CD2 . PHE C 90 0.5705 0.9102 1.0177 0.1353 0.0694 -0.0639 112 PHE C CD2 ? ? 1 +9197 C CE1 . PHE C 90 0.5666 0.8920 1.0081 0.1234 0.0563 -0.0606 112 PHE C CE1 ? ? 1 +9198 C CE2 . PHE C 90 0.5839 0.9071 1.0210 0.1369 0.0660 -0.0651 112 PHE C CE2 ? ? 1 +9199 C CZ . PHE C 90 0.5820 0.8980 1.0162 0.1308 0.0595 -0.0635 112 PHE C CZ ? ? 1 +9200 C C . PHE C 90 0.5207 0.9072 1.0098 0.1327 0.0697 -0.0568 112 PHE C C ? ? 1 +9201 O O . PHE C 90 0.5193 0.9018 1.0098 0.1339 0.0654 -0.0556 112 PHE C O ? ? 1 +9202 N N . VAL C 91 0.5206 0.9156 1.0146 0.1382 0.0761 -0.0585 113 VAL C N ? ? 1 +9203 C CA . VAL C 91 0.5220 0.9225 1.0239 0.1466 0.0782 -0.0594 113 VAL C CA ? ? 1 +9204 C CB . VAL C 91 0.5255 0.9356 1.0321 0.1518 0.0862 -0.0617 113 VAL C CB ? ? 1 +9205 C CG1 . VAL C 91 0.5235 0.9447 1.0428 0.1597 0.0879 -0.0622 113 VAL C CG1 ? ? 1 +9206 C CG2 . VAL C 91 0.5438 0.9395 1.0350 0.1546 0.0900 -0.0651 113 VAL C CG2 ? ? 1 +9207 C C . VAL C 91 0.5057 0.9187 1.0221 0.1461 0.0744 -0.0563 113 VAL C C ? ? 1 +9208 O O . VAL C 91 0.5104 0.9194 1.0278 0.1505 0.0714 -0.0560 113 VAL C O ? ? 1 +9209 N N . VAL C 92 0.4878 0.9154 1.0147 0.1409 0.0747 -0.0542 114 VAL C N ? ? 1 +9210 C CA . VAL C 92 0.4707 0.9114 1.0117 0.1401 0.0714 -0.0515 114 VAL C CA ? ? 1 +9211 C CB . VAL C 92 0.4544 0.9100 1.0053 0.1337 0.0724 -0.0495 114 VAL C CB ? ? 1 +9212 C CG1 . VAL C 92 0.4392 0.9072 1.0039 0.1327 0.0685 -0.0468 114 VAL C CG1 ? ? 1 +9213 C CG2 . VAL C 92 0.4549 0.9208 1.0107 0.1359 0.0799 -0.0516 114 VAL C CG2 ? ? 1 +9214 C C . VAL C 92 0.4694 0.9000 1.0060 0.1376 0.0643 -0.0494 114 VAL C C ? ? 1 +9215 O O . VAL C 92 0.4671 0.9012 1.0105 0.1411 0.0615 -0.0481 114 VAL C O ? ? 1 +9216 N N . GLY C 93 0.4713 0.8892 0.9962 0.1316 0.0614 -0.0491 115 GLY C N ? ? 1 +9217 C CA . GLY C 93 0.4710 0.8783 0.9908 0.1284 0.0551 -0.0473 115 GLY C CA ? ? 1 +9218 C C . GLY C 93 0.4832 0.8777 0.9961 0.1349 0.0540 -0.0485 115 GLY C C ? ? 1 +9219 O O . GLY C 93 0.4794 0.8736 0.9962 0.1364 0.0503 -0.0467 115 GLY C O ? ? 1 +9220 N N . VAL C 94 0.4990 0.8824 1.0012 0.1389 0.0572 -0.0517 116 VAL C N ? ? 1 +9221 C CA . VAL C 94 0.5151 0.8845 1.0090 0.1454 0.0567 -0.0534 116 VAL C CA ? ? 1 +9222 C CB . VAL C 94 0.5315 0.8892 1.0127 0.1487 0.0609 -0.0572 116 VAL C CB ? ? 1 +9223 C CG1 . VAL C 94 0.5473 0.8927 1.0215 0.1571 0.0614 -0.0591 116 VAL C CG1 ? ? 1 +9224 C CG2 . VAL C 94 0.5373 0.8825 1.0059 0.1411 0.0587 -0.0578 116 VAL C CG2 ? ? 1 +9225 C C . VAL C 94 0.5134 0.8915 1.0175 0.1536 0.0575 -0.0530 116 VAL C C ? ? 1 +9226 O O . VAL C 94 0.5183 0.8886 1.0202 0.1563 0.0539 -0.0519 116 VAL C O ? ? 1 +9227 N N . VAL C 95 0.5076 0.9014 1.0226 0.1575 0.0621 -0.0538 117 VAL C N ? ? 1 +9228 C CA . VAL C 95 0.5085 0.9110 1.0332 0.1661 0.0632 -0.0542 117 VAL C CA ? ? 1 +9229 C CB . VAL C 95 0.5058 0.9248 1.0412 0.1702 0.0696 -0.0561 117 VAL C CB ? ? 1 +9230 C CG1 . VAL C 95 0.5074 0.9357 1.0533 0.1794 0.0702 -0.0568 117 VAL C CG1 ? ? 1 +9231 C CG2 . VAL C 95 0.5185 0.9298 1.0438 0.1719 0.0752 -0.0595 117 VAL C CG2 ? ? 1 +9232 C C . VAL C 95 0.4960 0.9056 1.0300 0.1645 0.0579 -0.0508 117 VAL C C ? ? 1 +9233 O O . VAL C 95 0.4997 0.9059 1.0344 0.1706 0.0556 -0.0504 117 VAL C O ? ? 1 +9234 N N . HIS C 96 0.4815 0.9000 1.0217 0.1564 0.0559 -0.0482 118 HIS C N ? ? 1 +9235 C CA . HIS C 96 0.4716 0.8949 1.0187 0.1537 0.0506 -0.0449 118 HIS C CA ? ? 1 +9236 C CB . HIS C 96 0.4558 0.8886 1.0087 0.1445 0.0492 -0.0426 118 HIS C CB ? ? 1 +9237 C CG . HIS C 96 0.4426 0.8957 1.0104 0.1450 0.0524 -0.0425 118 HIS C CG ? ? 1 +9238 N ND1 . HIS C 96 0.4437 0.9029 1.0128 0.1457 0.0582 -0.0449 118 HIS C ND1 ? ? 1 +9239 C CE1 . HIS C 96 0.4307 0.9081 1.0143 0.1457 0.0598 -0.0443 118 HIS C CE1 ? ? 1 +9240 N NE2 . HIS C 96 0.4214 0.9047 1.0128 0.1453 0.0551 -0.0418 118 HIS C NE2 ? ? 1 +9241 C CD2 . HIS C 96 0.4296 0.8974 1.0107 0.1449 0.0504 -0.0405 118 HIS C CD2 ? ? 1 +9242 C C . HIS C 96 0.4823 0.8880 1.0186 0.1532 0.0457 -0.0436 118 HIS C C ? ? 1 +9243 O O . HIS C 96 0.4841 0.8894 1.0234 0.1573 0.0427 -0.0422 118 HIS C O ? ? 1 +9244 N N . LEU C 97 0.4915 0.8823 1.0148 0.1483 0.0450 -0.0444 119 LEU C N ? ? 1 +9245 C CA . LEU C 97 0.5016 0.8751 1.0142 0.1466 0.0407 -0.0434 119 LEU C CA ? ? 1 +9246 C CB . LEU C 97 0.5077 0.8686 1.0081 0.1396 0.0403 -0.0445 119 LEU C CB ? ? 1 +9247 C CG . LEU C 97 0.5171 0.8603 1.0065 0.1359 0.0359 -0.0437 119 LEU C CG ? ? 1 +9248 C CD1 . LEU C 97 0.5056 0.8537 1.0018 0.1311 0.0314 -0.0399 119 LEU C CD1 ? ? 1 +9249 C CD2 . LEU C 97 0.5236 0.8560 1.0021 0.1295 0.0357 -0.0454 119 LEU C CD2 ? ? 1 +9250 C C . LEU C 97 0.5179 0.8804 1.0244 0.1557 0.0410 -0.0448 119 LEU C C ? ? 1 +9251 O O . LEU C 97 0.5211 0.8766 1.0256 0.1570 0.0373 -0.0429 119 LEU C O ? ? 1 +9252 N N . ILE C 98 0.5295 0.8903 1.0328 0.1622 0.0456 -0.0481 120 ILE C N ? ? 1 +9253 C CA . ILE C 98 0.5463 0.8975 1.0443 0.1717 0.0464 -0.0497 120 ILE C CA ? ? 1 +9254 C CB . ILE C 98 0.5586 0.9073 1.0518 0.1776 0.0521 -0.0537 120 ILE C CB ? ? 1 +9255 C CG1 . ILE C 98 0.5691 0.9028 1.0479 0.1722 0.0530 -0.0556 120 ILE C CG1 ? ? 1 +9256 C CG2 . ILE C 98 0.5723 0.9145 1.0628 0.1888 0.0532 -0.0555 120 ILE C CG2 ? ? 1 +9257 C CD1 . ILE C 98 0.5823 0.8949 1.0473 0.1697 0.0488 -0.0552 120 ILE C CD1 ? ? 1 +9258 C C . ILE C 98 0.5408 0.9036 1.0507 0.1782 0.0450 -0.0481 120 ILE C C ? ? 1 +9259 O O . ILE C 98 0.5495 0.9026 1.0549 0.1831 0.0423 -0.0474 120 ILE C O ? ? 1 +9260 N N . SER C 99 0.5272 0.9107 1.0519 0.1780 0.0467 -0.0476 121 SER C N ? ? 1 +9261 C CA . SER C 99 0.5214 0.9181 1.0587 0.1841 0.0454 -0.0465 121 SER C CA ? ? 1 +9262 C CB . SER C 99 0.5057 0.9251 1.0587 0.1832 0.0485 -0.0469 121 SER C CB ? ? 1 +9263 O OG . SER C 99 0.5117 0.9339 1.0645 0.1873 0.0545 -0.0504 121 SER C OG ? ? 1 +9264 C C . SER C 99 0.5169 0.9112 1.0552 0.1812 0.0395 -0.0428 121 SER C C ? ? 1 +9265 O O . SER C 99 0.5206 0.9176 1.0634 0.1880 0.0374 -0.0420 121 SER C O ? ? 1 +9266 N N . SER C 100 0.5098 0.8990 1.0438 0.1715 0.0369 -0.0407 122 SER C N ? ? 1 +9267 C CA . SER C 100 0.5052 0.8915 1.0395 0.1677 0.0317 -0.0371 122 SER C CA ? ? 1 +9268 C CB . SER C 100 0.4988 0.8821 1.0297 0.1563 0.0299 -0.0354 122 SER C CB ? ? 1 +9269 O OG . SER C 100 0.5122 0.8769 1.0285 0.1532 0.0300 -0.0367 122 SER C OG ? ? 1 +9270 C C . SER C 100 0.5224 0.8905 1.0455 0.1727 0.0290 -0.0366 122 SER C C ? ? 1 +9271 O O . SER C 100 0.5206 0.8890 1.0463 0.1745 0.0254 -0.0341 122 SER C O ? ? 1 +9272 N N . ALA C 101 0.5396 0.8913 1.0498 0.1747 0.0309 -0.0391 123 ALA C N ? ? 1 +9273 C CA . ALA C 101 0.5573 0.8902 1.0557 0.1798 0.0291 -0.0390 123 ALA C CA ? ? 1 +9274 C CB . ALA C 101 0.5738 0.8901 1.0584 0.1800 0.0316 -0.0421 123 ALA C CB ? ? 1 +9275 C C . ALA C 101 0.5630 0.9004 1.0664 0.1912 0.0289 -0.0393 123 ALA C C ? ? 1 +9276 O O . ALA C 101 0.5710 0.8989 1.0697 0.1946 0.0257 -0.0374 123 ALA C O ? ? 1 +9277 N N . VAL C 102 0.5587 0.9105 1.0716 0.1972 0.0326 -0.0417 124 VAL C N ? ? 1 +9278 C CA . VAL C 102 0.5616 0.9206 1.0813 0.2082 0.0325 -0.0424 124 VAL C CA ? ? 1 +9279 C CB . VAL C 102 0.5577 0.9322 1.0873 0.2136 0.0376 -0.0458 124 VAL C CB ? ? 1 +9280 C CG1 . VAL C 102 0.5599 0.9432 1.0978 0.2251 0.0371 -0.0466 124 VAL C CG1 ? ? 1 +9281 C CG2 . VAL C 102 0.5703 0.9334 1.0892 0.2146 0.0421 -0.0492 124 VAL C CG2 ? ? 1 +9282 C C . VAL C 102 0.5511 0.9213 1.0809 0.2077 0.0282 -0.0391 124 VAL C C ? ? 1 +9283 O O . VAL C 102 0.5585 0.9231 1.0861 0.2143 0.0252 -0.0379 124 VAL C O ? ? 1 +9284 N N . LEU C 103 0.5350 0.9205 1.0754 0.2000 0.0278 -0.0376 125 LEU C N ? ? 1 +9285 C CA . LEU C 103 0.5248 0.9217 1.0751 0.1987 0.0238 -0.0346 125 LEU C CA ? ? 1 +9286 C CB . LEU C 103 0.5042 0.9192 1.0666 0.1904 0.0248 -0.0338 125 LEU C CB ? ? 1 +9287 C CG . LEU C 103 0.4962 0.9291 1.0705 0.1928 0.0294 -0.0367 125 LEU C CG ? ? 1 +9288 C CD1 . LEU C 103 0.4771 0.9260 1.0623 0.1844 0.0297 -0.0354 125 LEU C CD1 ? ? 1 +9289 C CD2 . LEU C 103 0.4984 0.9421 1.0822 0.2036 0.0295 -0.0382 125 LEU C CD2 ? ? 1 +9290 C C . LEU C 103 0.5341 0.9155 1.0743 0.1951 0.0192 -0.0312 125 LEU C C ? ? 1 +9291 O O . LEU C 103 0.5339 0.9156 1.0759 0.1994 0.0157 -0.0292 125 LEU C O ? ? 1 +9292 N N . GLY C 104 0.5431 0.9108 1.0727 0.1869 0.0193 -0.0307 126 GLY C N ? ? 1 +9293 C CA . GLY C 104 0.5535 0.9046 1.0723 0.1829 0.0157 -0.0279 126 GLY C CA ? ? 1 +9294 C C . GLY C 104 0.5762 0.9121 1.0855 0.1921 0.0143 -0.0279 126 GLY C C ? ? 1 +9295 O O . GLY C 104 0.5809 0.9109 1.0874 0.1929 0.0107 -0.0250 126 GLY C O ? ? 1 +9296 N N . PHE C 105 0.5933 0.9227 1.0974 0.1992 0.0173 -0.0311 127 PHE C N ? ? 1 +9297 C CA . PHE C 105 0.6158 0.9302 1.1102 0.2087 0.0164 -0.0315 127 PHE C CA ? ? 1 +9298 C CB . PHE C 105 0.6327 0.9408 1.1214 0.2148 0.0205 -0.0356 127 PHE C CB ? ? 1 +9299 C CG . PHE C 105 0.6598 0.9493 1.1362 0.2240 0.0199 -0.0363 127 PHE C CG ? ? 1 +9300 C CD1 . PHE C 105 0.6691 0.9644 1.1505 0.2356 0.0190 -0.0368 127 PHE C CD1 ? ? 1 +9301 C CD2 . PHE C 105 0.6781 0.9441 1.1378 0.2210 0.0198 -0.0364 127 PHE C CD2 ? ? 1 +9302 C CE1 . PHE C 105 0.6929 0.9703 1.1623 0.2444 0.0183 -0.0373 127 PHE C CE1 ? ? 1 +9303 C CE2 . PHE C 105 0.7015 0.9493 1.1491 0.2294 0.0192 -0.0369 127 PHE C CE2 ? ? 1 +9304 C CZ . PHE C 105 0.7091 0.9624 1.1613 0.2412 0.0184 -0.0372 127 PHE C CZ ? ? 1 +9305 C C . PHE C 105 0.6106 0.9354 1.1137 0.2175 0.0137 -0.0303 127 PHE C C ? ? 1 +9306 O O . PHE C 105 0.6207 0.9339 1.1166 0.2212 0.0105 -0.0281 127 PHE C O ? ? 1 +9307 N N . GLY C 106 0.5959 0.9425 1.1142 0.2208 0.0152 -0.0318 128 GLY C N ? ? 1 +9308 C CA . GLY C 106 0.5906 0.9499 1.1192 0.2286 0.0125 -0.0310 128 GLY C CA ? ? 1 +9309 C C . GLY C 106 0.5795 0.9411 1.1104 0.2232 0.0079 -0.0269 128 GLY C C ? ? 1 +9310 O O . GLY C 106 0.5850 0.9435 1.1145 0.2292 0.0043 -0.0251 128 GLY C O ? ? 1 +9311 N N . GLY C 107 0.5643 0.9310 1.0983 0.2118 0.0082 -0.0254 129 GLY C N ? ? 1 +9312 C CA . GLY C 107 0.5520 0.9212 1.0883 0.2055 0.0044 -0.0216 129 GLY C CA ? ? 1 +9313 C C . GLY C 107 0.5657 0.9135 1.0874 0.2061 0.0013 -0.0189 129 GLY C C ? ? 1 +9314 O O . GLY C 107 0.5662 0.9146 1.0888 0.2092 -0.0023 -0.0164 129 GLY C O ? ? 1 +9315 N N . VAL C 108 0.5780 0.9063 1.0857 0.2032 0.0030 -0.0196 130 VAL C N ? ? 1 +9316 C CA . VAL C 108 0.5926 0.8991 1.0856 0.2025 0.0007 -0.0172 130 VAL C CA ? ? 1 +9317 C CB . VAL C 108 0.6029 0.8916 1.0832 0.1957 0.0030 -0.0182 130 VAL C CB ? ? 1 +9318 C CG1 . VAL C 108 0.6213 0.8858 1.0855 0.1956 0.0012 -0.0161 130 VAL C CG1 ? ? 1 +9319 C CG2 . VAL C 108 0.5879 0.8849 1.0736 0.1834 0.0037 -0.0177 130 VAL C CG2 ? ? 1 +9320 C C . VAL C 108 0.6081 0.9060 1.0954 0.2149 -0.0009 -0.0172 130 VAL C C ? ? 1 +9321 O O . VAL C 108 0.6145 0.9022 1.0951 0.2165 -0.0041 -0.0143 130 VAL C O ? ? 1 +9322 N N . TYR C 109 0.6144 0.9163 1.1043 0.2238 0.0013 -0.0206 131 TYR C N ? ? 1 +9323 C CA . TYR C 109 0.6305 0.9266 1.1166 0.2364 -0.0003 -0.0211 131 TYR C CA ? ? 1 +9324 C CB . TYR C 109 0.6359 0.9391 1.1267 0.2452 0.0030 -0.0254 131 TYR C CB ? ? 1 +9325 C CG . TYR C 109 0.6476 0.9522 1.1398 0.2587 0.0008 -0.0259 131 TYR C CG ? ? 1 +9326 C CD1 . TYR C 109 0.6706 0.9535 1.1477 0.2654 -0.0010 -0.0249 131 TYR C CD1 ? ? 1 +9327 C CD2 . TYR C 109 0.6362 0.9638 1.1450 0.2647 0.0003 -0.0273 131 TYR C CD2 ? ? 1 +9328 C CE1 . TYR C 109 0.6812 0.9650 1.1592 0.2782 -0.0034 -0.0253 131 TYR C CE1 ? ? 1 +9329 C CE2 . TYR C 109 0.6467 0.9763 1.1573 0.2773 -0.0022 -0.0280 131 TYR C CE2 ? ? 1 +9330 C CZ . TYR C 109 0.6690 0.9767 1.1641 0.2843 -0.0042 -0.0269 131 TYR C CZ ? ? 1 +9331 O OH . TYR C 109 0.6815 0.9913 1.1782 0.2972 -0.0069 -0.0276 131 TYR C OH ? ? 1 +9332 C C . TYR C 109 0.6223 0.9307 1.1173 0.2405 -0.0045 -0.0186 131 TYR C C ? ? 1 +9333 O O . TYR C 109 0.6330 0.9289 1.1193 0.2446 -0.0078 -0.0161 131 TYR C O ? ? 1 +9334 N N . HIS C 110 0.6037 0.9363 1.1158 0.2395 -0.0044 -0.0194 132 HIS C N ? ? 1 +9335 C CA . HIS C 110 0.5968 0.9429 1.1186 0.2434 -0.0085 -0.0176 132 HIS C CA ? ? 1 +9336 C CB . HIS C 110 0.5756 0.9486 1.1166 0.2420 -0.0073 -0.0195 132 HIS C CB ? ? 1 +9337 C CG . HIS C 110 0.5785 0.9619 1.1273 0.2523 -0.0053 -0.0235 132 HIS C CG ? ? 1 +9338 N ND1 . HIS C 110 0.5878 0.9723 1.1377 0.2642 -0.0083 -0.0240 132 HIS C ND1 ? ? 1 +9339 C CE1 . HIS C 110 0.5887 0.9839 1.1467 0.2710 -0.0052 -0.0279 132 HIS C CE1 ? ? 1 +9340 N NE2 . HIS C 110 0.5813 0.9814 1.1426 0.2639 -0.0003 -0.0298 132 HIS C NE2 ? ? 1 +9341 C CD2 . HIS C 110 0.5740 0.9667 1.1294 0.2521 -0.0005 -0.0270 132 HIS C CD2 ? ? 1 +9342 C C . HIS C 110 0.5982 0.9372 1.1147 0.2362 -0.0119 -0.0132 132 HIS C C ? ? 1 +9343 O O . HIS C 110 0.6014 0.9399 1.1173 0.2413 -0.0159 -0.0110 132 HIS C O ? ? 1 +9344 N N . ALA C 111 0.5979 0.9314 1.1105 0.2244 -0.0102 -0.0120 133 ALA C N ? ? 1 +9345 C CA . ALA C 111 0.5963 0.9253 1.1056 0.2163 -0.0128 -0.0081 133 ALA C CA ? ? 1 +9346 C CB . ALA C 111 0.5858 0.9165 1.0964 0.2035 -0.0103 -0.0080 133 ALA C CB ? ? 1 +9347 C C . ALA C 111 0.6203 0.9253 1.1127 0.2183 -0.0148 -0.0054 133 ALA C C ? ? 1 +9348 O O . ALA C 111 0.6187 0.9218 1.1094 0.2166 -0.0179 -0.0020 133 ALA C O ? ? 1 +9349 N N . ILE C 112 0.6468 0.9329 1.1262 0.2217 -0.0129 -0.0068 134 ILE C N ? ? 1 +9350 C CA . ILE C 112 0.6749 0.9367 1.1373 0.2227 -0.0144 -0.0042 134 ILE C CA ? ? 1 +9351 C CB . ILE C 112 0.6830 0.9294 1.1353 0.2112 -0.0121 -0.0035 134 ILE C CB ? ? 1 +9352 C CG1 . ILE C 112 0.6996 0.9360 1.1453 0.2121 -0.0085 -0.0071 134 ILE C CG1 ? ? 1 +9353 C CG2 . ILE C 112 0.6604 0.9212 1.1230 0.1991 -0.0117 -0.0025 134 ILE C CG2 ? ? 1 +9354 C CD1 . ILE C 112 0.7109 0.9297 1.1451 0.2014 -0.0069 -0.0065 134 ILE C CD1 ? ? 1 +9355 C C . ILE C 112 0.7029 0.9504 1.1551 0.2350 -0.0147 -0.0054 134 ILE C C ? ? 1 +9356 O O . ILE C 112 0.7193 0.9480 1.1581 0.2377 -0.0165 -0.0029 134 ILE C O ? ? 1 +9357 N N . ARG C 113 0.7121 0.9682 1.1703 0.2426 -0.0129 -0.0092 135 ARG C N ? ? 1 +9358 C CA . ARG C 113 0.7418 0.9844 1.1905 0.2545 -0.0128 -0.0108 135 ARG C CA ? ? 1 +9359 C CB . ARG C 113 0.7568 0.9928 1.2012 0.2541 -0.0083 -0.0146 135 ARG C CB ? ? 1 +9360 C CG . ARG C 113 0.7880 1.0039 1.2182 0.2646 -0.0079 -0.0159 135 ARG C CG ? ? 1 +9361 C CD . ARG C 113 0.8139 1.0040 1.2262 0.2616 -0.0094 -0.0126 135 ARG C CD ? ? 1 +9362 N NE . ARG C 113 0.8520 1.0221 1.2502 0.2724 -0.0095 -0.0134 135 ARG C NE ? ? 1 +9363 C CZ . ARG C 113 0.8791 1.0391 1.2696 0.2802 -0.0130 -0.0108 135 ARG C CZ ? ? 1 +9364 N NH1 . ARG C 113 0.8781 1.0413 1.2703 0.2770 -0.0162 -0.0070 135 ARG C NH1 ? ? 1 +9365 N NH2 . ARG C 113 0.9022 1.0480 1.2825 0.2919 -0.0131 -0.0122 135 ARG C NH2 ? ? 1 +9366 C C . ARG C 113 0.7407 0.9983 1.1995 0.2671 -0.0151 -0.0121 135 ARG C C ? ? 1 +9367 O O . ARG C 113 0.7570 1.0032 1.2073 0.2772 -0.0175 -0.0114 135 ARG C O ? ? 1 +9368 N N . GLY C 114 0.7220 1.0051 1.1989 0.2665 -0.0144 -0.0142 136 GLY C N ? ? 1 +9369 C CA . GLY C 114 0.7190 1.0186 1.2075 0.2779 -0.0161 -0.0162 136 GLY C CA ? ? 1 +9370 C C . GLY C 114 0.7189 1.0217 1.2088 0.2823 -0.0216 -0.0131 136 GLY C C ? ? 1 +9371 O O . GLY C 114 0.7215 1.0127 1.2027 0.2766 -0.0237 -0.0093 136 GLY C O ? ? 1 +9372 N N . PRO C 115 0.7173 1.0360 1.2184 0.2928 -0.0241 -0.0148 137 PRO C N ? ? 1 +9373 C CA . PRO C 115 0.7167 1.0404 1.2203 0.2971 -0.0297 -0.0122 137 PRO C CA ? ? 1 +9374 C CB . PRO C 115 0.7166 1.0584 1.2334 0.3094 -0.0312 -0.0157 137 PRO C CB ? ? 1 +9375 C CG . PRO C 115 0.7081 1.0620 1.2350 0.3075 -0.0258 -0.0199 137 PRO C CG ? ? 1 +9376 C CD . PRO C 115 0.7156 1.0487 1.2278 0.3006 -0.0216 -0.0194 137 PRO C CD ? ? 1 +9377 C C . PRO C 115 0.6963 1.0331 1.2089 0.2857 -0.0307 -0.0099 137 PRO C C ? ? 1 +9378 O O . PRO C 115 0.6779 1.0310 1.2030 0.2785 -0.0278 -0.0116 137 PRO C O ? ? 1 +9379 N N . GLU C 116 0.7011 1.0298 1.2067 0.2843 -0.0347 -0.0059 138 GLU C N ? ? 1 +9380 C CA . GLU C 116 0.6874 1.0263 1.1997 0.2739 -0.0359 -0.0034 138 GLU C CA ? ? 1 +9381 C CB . GLU C 116 0.7052 1.0265 1.2034 0.2721 -0.0392 0.0013 138 GLU C CB ? ? 1 +9382 C CG . GLU C 116 0.7209 1.0192 1.2033 0.2638 -0.0362 0.0033 138 GLU C CG ? ? 1 +9383 C CD . GLU C 116 0.7354 1.0203 1.2069 0.2593 -0.0387 0.0080 138 GLU C CD ? ? 1 +9384 O OE1 . GLU C 116 0.7404 1.0306 1.2139 0.2647 -0.0432 0.0098 138 GLU C OE1 ? ? 1 +9385 O OE2 . GLU C 116 0.7494 1.0190 1.2108 0.2501 -0.0362 0.0098 138 GLU C OE2 ? ? 1 +9386 C C . GLU C 116 0.6643 1.0304 1.1959 0.2764 -0.0384 -0.0049 138 GLU C C ? ? 1 +9387 O O . GLU C 116 0.6465 1.0276 1.1891 0.2672 -0.0374 -0.0047 138 GLU C O ? ? 1 +9388 N N . THR C 117 0.6671 1.0389 1.2023 0.2890 -0.0419 -0.0063 139 THR C N ? ? 1 +9389 C CA . THR C 117 0.6493 1.0474 1.2035 0.2929 -0.0443 -0.0086 139 THR C CA ? ? 1 +9390 C CB . THR C 117 0.6510 1.0504 1.2040 0.2990 -0.0509 -0.0062 139 THR C CB ? ? 1 +9391 O OG1 . THR C 117 0.6690 1.0541 1.2109 0.3117 -0.0535 -0.0063 139 THR C OG1 ? ? 1 +9392 C CG2 . THR C 117 0.6482 1.0366 1.1918 0.2898 -0.0525 -0.0015 139 THR C CG2 ? ? 1 +9393 C C . THR C 117 0.6515 1.0586 1.2135 0.3025 -0.0422 -0.0133 139 THR C C ? ? 1 +9394 O O . THR C 117 0.6699 1.0610 1.2205 0.3102 -0.0415 -0.0140 139 THR C O ? ? 1 +9395 N N . LEU C 118 0.6334 1.0659 1.2148 0.3018 -0.0410 -0.0164 140 LEU C N ? ? 1 +9396 C CA . LEU C 118 0.6352 1.0785 1.2259 0.3095 -0.0382 -0.0211 140 LEU C CA ? ? 1 +9397 C CB . LEU C 118 0.6143 1.0759 1.2196 0.3006 -0.0330 -0.0236 140 LEU C CB ? ? 1 +9398 C CG . LEU C 118 0.6104 1.0601 1.2072 0.2887 -0.0282 -0.0222 140 LEU C CG ? ? 1 +9399 C CD1 . LEU C 118 0.5934 1.0613 1.2043 0.2822 -0.0230 -0.0251 140 LEU C CD1 ? ? 1 +9400 C CD2 . LEU C 118 0.6290 1.0548 1.2085 0.2922 -0.0256 -0.0224 140 LEU C CD2 ? ? 1 +9401 C C . LEU C 118 0.6418 1.1002 1.2434 0.3219 -0.0427 -0.0234 140 LEU C C ? ? 1 +9402 O O . LEU C 118 0.6437 1.1098 1.2522 0.3303 -0.0409 -0.0273 140 LEU C O ? ? 1 +9403 N N . GLU C 119 0.6451 1.1075 1.2482 0.3232 -0.0487 -0.0211 141 GLU C N ? ? 1 +9404 C CA . GLU C 119 0.6465 1.1272 1.2628 0.3332 -0.0534 -0.0235 141 GLU C CA ? ? 1 +9405 C CB . GLU C 119 0.6290 1.1165 1.2484 0.3301 -0.0592 -0.0207 141 GLU C CB ? ? 1 +9406 C CG . GLU C 119 0.6005 1.1048 1.2329 0.3171 -0.0570 -0.0205 141 GLU C CG ? ? 1 +9407 C CD . GLU C 119 0.5885 1.0791 1.2109 0.3042 -0.0523 -0.0177 141 GLU C CD ? ? 1 +9408 O OE1 . GLU C 119 0.5939 1.0625 1.1988 0.3024 -0.0536 -0.0138 141 GLU C OE1 ? ? 1 +9409 O OE2 . GLU C 119 0.5696 1.0714 1.2016 0.2961 -0.0473 -0.0194 141 GLU C OE2 ? ? 1 +9410 C C . GLU C 119 0.6846 1.1543 1.2925 0.3482 -0.0562 -0.0246 141 GLU C C ? ? 1 +9411 O O . GLU C 119 0.6810 1.1669 1.3015 0.3579 -0.0578 -0.0284 141 GLU C O ? ? 1 +9412 N N . GLU C 120 0.7251 1.1674 1.3118 0.3499 -0.0567 -0.0215 142 GLU C N ? ? 1 +9413 C CA . GLU C 120 0.7650 1.1932 1.3409 0.3638 -0.0590 -0.0222 142 GLU C CA ? ? 1 +9414 C CB . GLU C 120 0.7997 1.1980 1.3518 0.3642 -0.0613 -0.0174 142 GLU C CB ? ? 1 +9415 C CG . GLU C 120 0.8097 1.2068 1.3584 0.3605 -0.0667 -0.0133 142 GLU C CG ? ? 1 +9416 C CD . GLU C 120 0.8119 1.2099 1.3613 0.3445 -0.0641 -0.0106 142 GLU C CD ? ? 1 +9417 O OE1 . GLU C 120 0.8095 1.2101 1.3628 0.3359 -0.0582 -0.0119 142 GLU C OE1 ? ? 1 +9418 O OE2 . GLU C 120 0.8180 1.2143 1.3641 0.3406 -0.0679 -0.0071 142 GLU C OE2 ? ? 1 +9419 C C . GLU C 120 0.7782 1.2041 1.3545 0.3675 -0.0532 -0.0259 142 GLU C C ? ? 1 +9420 O O . GLU C 120 0.7947 1.2219 1.3723 0.3803 -0.0544 -0.0287 142 GLU C O ? ? 1 +9421 N N . TYR C 121 0.7792 1.2017 1.3542 0.3565 -0.0470 -0.0260 143 TYR C N ? ? 1 +9422 C CA . TYR C 121 0.7877 1.2070 1.3619 0.3586 -0.0411 -0.0293 143 TYR C CA ? ? 1 +9423 C CB . TYR C 121 0.7957 1.2040 1.3623 0.3450 -0.0356 -0.0279 143 TYR C CB ? ? 1 +9424 C CG . TYR C 121 0.8173 1.2246 1.3846 0.3458 -0.0292 -0.0315 143 TYR C CG ? ? 1 +9425 C CD2 . TYR C 121 0.8085 1.2364 1.3919 0.3400 -0.0246 -0.0346 143 TYR C CD2 ? ? 1 +9426 C CD1 . TYR C 121 0.8458 1.2310 1.3971 0.3525 -0.0276 -0.0321 143 TYR C CD1 ? ? 1 +9427 C CE2 . TYR C 121 0.8171 1.2438 1.4004 0.3409 -0.0185 -0.0380 143 TYR C CE2 ? ? 1 +9428 C CE1 . TYR C 121 0.8560 1.2397 1.4071 0.3534 -0.0216 -0.0355 143 TYR C CE1 ? ? 1 +9429 C CZ . TYR C 121 0.8444 1.2490 1.4116 0.3476 -0.0171 -0.0385 143 TYR C CZ ? ? 1 +9430 O OH . TYR C 121 0.8552 1.2578 1.4215 0.3486 -0.0110 -0.0419 143 TYR C OH ? ? 1 +9431 C C . TYR C 121 0.7617 1.2083 1.3575 0.3628 -0.0388 -0.0344 143 TYR C C ? ? 1 +9432 O O . TYR C 121 0.7732 1.2198 1.3700 0.3724 -0.0368 -0.0379 143 TYR C O ? ? 1 +9433 N N . SER C 122 0.7330 1.2024 1.3459 0.3554 -0.0389 -0.0350 144 SER C N ? ? 1 +9434 C CA . SER C 122 0.7081 1.2042 1.3422 0.3571 -0.0361 -0.0397 144 SER C CA ? ? 1 +9435 C CB . SER C 122 0.7069 1.2043 1.3431 0.3486 -0.0281 -0.0415 144 SER C CB ? ? 1 +9436 O OG . SER C 122 0.6924 1.2169 1.3500 0.3474 -0.0252 -0.0453 144 SER C OG ? ? 1 +9437 C C . SER C 122 0.6774 1.1969 1.3287 0.3523 -0.0393 -0.0396 144 SER C C ? ? 1 +9438 O O . SER C 122 0.6663 1.1859 1.3170 0.3406 -0.0392 -0.0367 144 SER C O ? ? 1 +9439 N N . SER C 123 0.6662 1.2059 1.3332 0.3614 -0.0422 -0.0430 145 SER C N ? ? 1 +9440 C CA . SER C 123 0.6428 1.2066 1.3278 0.3573 -0.0451 -0.0436 145 SER C CA ? ? 1 +9441 C CB . SER C 123 0.6480 1.2293 1.3466 0.3703 -0.0499 -0.0472 145 SER C CB ? ? 1 +9442 O OG . SER C 123 0.6528 1.2428 1.3599 0.3777 -0.0454 -0.0520 145 SER C OG ? ? 1 +9443 C C . SER C 123 0.6186 1.1990 1.3174 0.3461 -0.0386 -0.0455 145 SER C C ? ? 1 +9444 O O . SER C 123 0.6041 1.1977 1.3125 0.3377 -0.0399 -0.0446 145 SER C O ? ? 1 +9445 N N . PHE C 124 0.6173 1.1956 1.3157 0.3459 -0.0317 -0.0481 146 PHE C N ? ? 1 +9446 C CA . PHE C 124 0.5992 1.1917 1.3093 0.3359 -0.0251 -0.0499 146 PHE C CA ? ? 1 +9447 C CB . PHE C 124 0.6103 1.2011 1.3202 0.3397 -0.0181 -0.0535 146 PHE C CB ? ? 1 +9448 C CG . PHE C 124 0.6019 1.2073 1.3236 0.3300 -0.0111 -0.0556 146 PHE C CG ? ? 1 +9449 C CD1 . PHE C 124 0.5912 1.2238 1.3347 0.3303 -0.0099 -0.0591 146 PHE C CD1 ? ? 1 +9450 C CD2 . PHE C 124 0.6067 1.1987 1.3175 0.3202 -0.0059 -0.0539 146 PHE C CD2 ? ? 1 +9451 C CE1 . PHE C 124 0.5815 1.2268 1.3350 0.3211 -0.0031 -0.0608 146 PHE C CE1 ? ? 1 +9452 C CE2 . PHE C 124 0.5938 1.1986 1.3145 0.3114 0.0004 -0.0556 146 PHE C CE2 ? ? 1 +9453 C CZ . PHE C 124 0.5809 1.2120 1.3226 0.3119 0.0019 -0.0589 146 PHE C CZ ? ? 1 +9454 C C . PHE C 124 0.5864 1.1684 1.2875 0.3215 -0.0234 -0.0459 146 PHE C C ? ? 1 +9455 O O . PHE C 124 0.5656 1.1618 1.2773 0.3126 -0.0233 -0.0453 146 PHE C O ? ? 1 +9456 N N . PHE C 125 0.5941 1.1507 1.2754 0.3195 -0.0222 -0.0432 147 PHE C N ? ? 1 +9457 C CA . PHE C 125 0.5853 1.1306 1.2571 0.3064 -0.0205 -0.0396 147 PHE C CA ? ? 1 +9458 C CB . PHE C 125 0.6018 1.1225 1.2550 0.3057 -0.0169 -0.0386 147 PHE C CB ? ? 1 +9459 C CG . PHE C 125 0.6011 1.1264 1.2585 0.3064 -0.0099 -0.0425 147 PHE C CG ? ? 1 +9460 C CD1 . PHE C 125 0.5864 1.1234 1.2526 0.2964 -0.0048 -0.0435 147 PHE C CD1 ? ? 1 +9461 C CD2 . PHE C 125 0.6151 1.1329 1.2675 0.3175 -0.0084 -0.0452 147 PHE C CD2 ? ? 1 +9462 C CE1 . PHE C 125 0.5889 1.1297 1.2583 0.2972 0.0019 -0.0471 147 PHE C CE1 ? ? 1 +9463 C CE2 . PHE C 125 0.6171 1.1389 1.2731 0.3182 -0.0017 -0.0489 147 PHE C CE2 ? ? 1 +9464 C CZ . PHE C 125 0.6040 1.1374 1.2684 0.3081 0.0034 -0.0498 147 PHE C CZ ? ? 1 +9465 C C . PHE C 125 0.5793 1.1191 1.2458 0.3023 -0.0266 -0.0352 147 PHE C C ? ? 1 +9466 O O . PHE C 125 0.5722 1.1094 1.2361 0.2908 -0.0257 -0.0325 147 PHE C O ? ? 1 +9467 N N . GLY C 126 0.5854 1.1233 1.2498 0.3120 -0.0327 -0.0345 148 GLY C N ? ? 1 +9468 C CA . GLY C 126 0.5791 1.1135 1.2394 0.3093 -0.0388 -0.0307 148 GLY C CA ? ? 1 +9469 C C . GLY C 126 0.5559 1.1149 1.2346 0.3041 -0.0406 -0.0315 148 GLY C C ? ? 1 +9470 O O . GLY C 126 0.5470 1.1271 1.2428 0.3065 -0.0388 -0.0354 148 GLY C O ? ? 1 +9471 N N . TYR C 127 0.5474 1.1030 1.2220 0.2968 -0.0439 -0.0277 149 TYR C N ? ? 1 +9472 C CA . TYR C 127 0.5262 1.1029 1.2165 0.2913 -0.0460 -0.0281 149 TYR C CA ? ? 1 +9473 C CB . TYR C 127 0.5077 1.0939 1.2060 0.2791 -0.0399 -0.0287 149 TYR C CB ? ? 1 +9474 C CG . TYR C 127 0.5085 1.0761 1.1922 0.2687 -0.0374 -0.0249 149 TYR C CG ? ? 1 +9475 C CD1 . TYR C 127 0.5022 1.0665 1.1820 0.2608 -0.0404 -0.0212 149 TYR C CD1 ? ? 1 +9476 C CD2 . TYR C 127 0.5170 1.0701 1.1904 0.2669 -0.0323 -0.0252 149 TYR C CD2 ? ? 1 +9477 C CE1 . TYR C 127 0.5030 1.0511 1.1701 0.2513 -0.0382 -0.0179 149 TYR C CE1 ? ? 1 +9478 C CE2 . TYR C 127 0.5169 1.0535 1.1773 0.2574 -0.0303 -0.0219 149 TYR C CE2 ? ? 1 +9479 C CZ . TYR C 127 0.5105 1.0448 1.1681 0.2496 -0.0333 -0.0183 149 TYR C CZ ? ? 1 +9480 O OH . TYR C 127 0.5094 1.0282 1.1549 0.2403 -0.0313 -0.0153 149 TYR C OH ? ? 1 +9481 C C . TYR C 127 0.5253 1.0946 1.2079 0.2886 -0.0519 -0.0239 149 TYR C C ? ? 1 +9482 O O . TYR C 127 0.5344 1.0818 1.1994 0.2878 -0.0531 -0.0202 149 TYR C O ? ? 1 +9483 N N . ASP C 128 0.5160 1.1043 1.2124 0.2876 -0.0556 -0.0246 150 ASP C N ? ? 1 +9484 C CA . ASP C 128 0.5124 1.0977 1.2043 0.2840 -0.0609 -0.0210 150 ASP C CA ? ? 1 +9485 C CB . ASP C 128 0.5286 1.1195 1.2233 0.2956 -0.0683 -0.0219 150 ASP C CB ? ? 1 +9486 C CG . ASP C 128 0.5365 1.1265 1.2278 0.2933 -0.0743 -0.0187 150 ASP C CG ? ? 1 +9487 O OD1 . ASP C 128 0.5358 1.1142 1.2174 0.2837 -0.0732 -0.0148 150 ASP C OD1 ? ? 1 +9488 O OD2 . ASP C 128 0.5529 1.1538 1.2513 0.3013 -0.0803 -0.0202 150 ASP C OD2 ? ? 1 +9489 C C . ASP C 128 0.4836 1.0868 1.1893 0.2729 -0.0590 -0.0215 150 ASP C C ? ? 1 +9490 O O . ASP C 128 0.4674 1.0922 1.1908 0.2738 -0.0581 -0.0253 150 ASP C O ? ? 1 +9491 N N . TRP C 129 0.4740 1.0678 1.1716 0.2625 -0.0584 -0.0177 151 TRP C N ? ? 1 +9492 C CA . TRP C 129 0.4522 1.0607 1.1611 0.2516 -0.0565 -0.0177 151 TRP C CA ? ? 1 +9493 C CB . TRP C 129 0.4495 1.0448 1.1468 0.2424 -0.0573 -0.0130 151 TRP C CB ? ? 1 +9494 C CG . TRP C 129 0.4562 1.0299 1.1375 0.2380 -0.0534 -0.0105 151 TRP C CG ? ? 1 +9495 C CD1 . TRP C 129 0.4701 1.0219 1.1337 0.2395 -0.0554 -0.0070 151 TRP C CD1 ? ? 1 +9496 N NE1 . TRP C 129 0.4746 1.0114 1.1279 0.2337 -0.0506 -0.0058 151 TRP C NE1 ? ? 1 +9497 C CE2 . TRP C 129 0.4618 1.0106 1.1256 0.2285 -0.0455 -0.0084 151 TRP C CE2 ? ? 1 +9498 C CZ2 . TRP C 129 0.4607 1.0017 1.1198 0.2217 -0.0400 -0.0085 151 TRP C CZ2 ? ? 1 +9499 C CH2 . TRP C 129 0.4481 1.0045 1.1198 0.2176 -0.0356 -0.0115 151 TRP C CH2 ? ? 1 +9500 C CZ3 . TRP C 129 0.4379 1.0169 1.1269 0.2199 -0.0364 -0.0143 151 TRP C CZ3 ? ? 1 +9501 C CE3 . TRP C 129 0.4376 1.0249 1.1321 0.2263 -0.0421 -0.0144 151 TRP C CE3 ? ? 1 +9502 C CD2 . TRP C 129 0.4497 1.0216 1.1312 0.2309 -0.0469 -0.0114 151 TRP C CD2 ? ? 1 +9503 C C . TRP C 129 0.4413 1.0726 1.1673 0.2539 -0.0606 -0.0202 151 TRP C C ? ? 1 +9504 O O . TRP C 129 0.4202 1.0691 1.1606 0.2476 -0.0579 -0.0222 151 TRP C O ? ? 1 +9505 N N . LYS C 130 0.4560 1.0864 1.1797 0.2629 -0.0672 -0.0199 152 LYS C N ? ? 1 +9506 C CA . LYS C 130 0.4544 1.1048 1.1927 0.2657 -0.0722 -0.0220 152 LYS C CA ? ? 1 +9507 C CB . LYS C 130 0.4855 1.1272 1.2143 0.2733 -0.0799 -0.0198 152 LYS C CB ? ? 1 +9508 C CG . LYS C 130 0.5159 1.1342 1.2247 0.2683 -0.0806 -0.0143 152 LYS C CG ? ? 1 +9509 C CD . LYS C 130 0.5472 1.1578 1.2468 0.2743 -0.0882 -0.0117 152 LYS C CD ? ? 1 +9510 C CE . LYS C 130 0.5856 1.1897 1.2794 0.2889 -0.0926 -0.0129 152 LYS C CE ? ? 1 +9511 N NZ . LYS C 130 0.6141 1.1920 1.2880 0.2915 -0.0904 -0.0100 152 LYS C NZ ? ? 1 +9512 C C . LYS C 130 0.4378 1.1079 1.1932 0.2728 -0.0712 -0.0275 152 LYS C C ? ? 1 +9513 O O . LYS C 130 0.4270 1.1177 1.1985 0.2727 -0.0735 -0.0302 152 LYS C O ? ? 1 +9514 N N . ASP C 131 0.4339 1.0976 1.1860 0.2788 -0.0676 -0.0292 153 ASP C N ? ? 1 +9515 C CA . ASP C 131 0.4224 1.1040 1.1903 0.2858 -0.0660 -0.0344 153 ASP C CA ? ? 1 +9516 C CB . ASP C 131 0.4360 1.1045 1.1947 0.2953 -0.0641 -0.0354 153 ASP C CB ? ? 1 +9517 C CG . ASP C 131 0.4340 1.1203 1.2084 0.3038 -0.0628 -0.0408 153 ASP C CG ? ? 1 +9518 O OD1 . ASP C 131 0.4177 1.1271 1.2110 0.3010 -0.0622 -0.0440 153 ASP C OD1 ? ? 1 +9519 O OD2 . ASP C 131 0.4494 1.1266 1.2173 0.3132 -0.0623 -0.0419 153 ASP C OD2 ? ? 1 +9520 C C . ASP C 131 0.3985 1.0968 1.1813 0.2765 -0.0595 -0.0369 153 ASP C C ? ? 1 +9521 O O . ASP C 131 0.3951 1.0874 1.1745 0.2723 -0.0529 -0.0371 153 ASP C O ? ? 1 +9522 N N . LYS C 132 0.3785 1.0980 1.1778 0.2736 -0.0617 -0.0390 154 LYS C N ? ? 1 +9523 C CA . LYS C 132 0.3574 1.0936 1.1713 0.2643 -0.0562 -0.0412 154 LYS C CA ? ? 1 +9524 C CB . LYS C 132 0.3460 1.1027 1.1755 0.2623 -0.0607 -0.0430 154 LYS C CB ? ? 1 +9525 C CG . LYS C 132 0.3445 1.0926 1.1647 0.2576 -0.0661 -0.0388 154 LYS C CG ? ? 1 +9526 C CD . LYS C 132 0.3328 1.1010 1.1683 0.2543 -0.0701 -0.0406 154 LYS C CD ? ? 1 +9527 C CE . LYS C 132 0.3340 1.0930 1.1594 0.2510 -0.0759 -0.0366 154 LYS C CE ? ? 1 +9528 N NZ . LYS C 132 0.3502 1.0969 1.1637 0.2617 -0.0828 -0.0350 154 LYS C NZ ? ? 1 +9529 C C . LYS C 132 0.3536 1.0993 1.1774 0.2677 -0.0499 -0.0455 154 LYS C C ? ? 1 +9530 O O . LYS C 132 0.3460 1.0940 1.1726 0.2596 -0.0430 -0.0460 154 LYS C O ? ? 1 +9531 N N . ASN C 133 0.3581 1.1089 1.1865 0.2799 -0.0523 -0.0487 155 ASN C N ? ? 1 +9532 C CA . ASN C 133 0.3555 1.1154 1.1933 0.2841 -0.0464 -0.0529 155 ASN C CA ? ? 1 +9533 C CB . ASN C 133 0.3652 1.1334 1.2101 0.2984 -0.0507 -0.0566 155 ASN C CB ? ? 1 +9534 C CG . ASN C 133 0.3639 1.1468 1.2228 0.3020 -0.0445 -0.0617 155 ASN C CG ? ? 1 +9535 O OD1 . ASN C 133 0.3670 1.1400 1.2190 0.3033 -0.0386 -0.0620 155 ASN C OD1 ? ? 1 +9536 N ND2 . ASN C 133 0.3571 1.1643 1.2364 0.3030 -0.0454 -0.0658 155 ASN C ND2 ? ? 1 +9537 C C . ASN C 133 0.3593 1.0997 1.1821 0.2819 -0.0402 -0.0511 155 ASN C C ? ? 1 +9538 O O . ASN C 133 0.3497 1.0945 1.1770 0.2755 -0.0329 -0.0525 155 ASN C O ? ? 1 +9539 N N . LYS C 134 0.3716 1.0896 1.1757 0.2871 -0.0431 -0.0480 156 LYS C N ? ? 1 +9540 C CA . LYS C 134 0.3798 1.0774 1.1682 0.2854 -0.0380 -0.0461 156 LYS C CA ? ? 1 +9541 C CB . LYS C 134 0.3974 1.0715 1.1662 0.2923 -0.0428 -0.0428 156 LYS C CB ? ? 1 +9542 C CG . LYS C 134 0.4100 1.0621 1.1621 0.2922 -0.0380 -0.0415 156 LYS C CG ? ? 1 +9543 C CD . LYS C 134 0.4139 1.0731 1.1733 0.2972 -0.0320 -0.0459 156 LYS C CD ? ? 1 +9544 C CE . LYS C 134 0.4311 1.0681 1.1735 0.3013 -0.0290 -0.0451 156 LYS C CE ? ? 1 +9545 N NZ . LYS C 134 0.4493 1.0730 1.1809 0.3130 -0.0348 -0.0442 156 LYS C NZ ? ? 1 +9546 C C . LYS C 134 0.3678 1.0594 1.1511 0.2715 -0.0332 -0.0434 156 LYS C C ? ? 1 +9547 O O . LYS C 134 0.3694 1.0543 1.1481 0.2681 -0.0268 -0.0439 156 LYS C O ? ? 1 +9548 N N . MET C 135 0.3552 1.0495 1.1394 0.2636 -0.0364 -0.0408 157 MET C N ? ? 1 +9549 C CA . MET C 135 0.3448 1.0340 1.1246 0.2507 -0.0324 -0.0382 157 MET C CA ? ? 1 +9550 C CB . MET C 135 0.3385 1.0279 1.1169 0.2442 -0.0373 -0.0348 157 MET C CB ? ? 1 +9551 C CG . MET C 135 0.3513 1.0185 1.1109 0.2457 -0.0417 -0.0304 157 MET C CG ? ? 1 +9552 S SD . MET C 135 0.3639 1.0057 1.1040 0.2417 -0.0366 -0.0278 157 MET C SD ? ? 1 +9553 C CE . MET C 135 0.3843 1.0124 1.1138 0.2553 -0.0399 -0.0281 157 MET C CE ? ? 1 +9554 C C . MET C 135 0.3298 1.0359 1.1240 0.2446 -0.0257 -0.0413 157 MET C C ? ? 1 +9555 O O . MET C 135 0.3272 1.0262 1.1158 0.2373 -0.0200 -0.0405 157 MET C O ? ? 1 +9556 N N . THR C 136 0.3196 1.0483 1.1324 0.2475 -0.0265 -0.0451 158 THR C N ? ? 1 +9557 C CA . THR C 136 0.3062 1.0521 1.1338 0.2424 -0.0200 -0.0484 158 THR C CA ? ? 1 +9558 C CB . THR C 136 0.2967 1.0668 1.1443 0.2440 -0.0228 -0.0517 158 THR C CB ? ? 1 +9559 O OG1 . THR C 136 0.3058 1.0798 1.1569 0.2566 -0.0278 -0.0539 158 THR C OG1 ? ? 1 +9560 C CG2 . THR C 136 0.2857 1.0593 1.1348 0.2359 -0.0273 -0.0490 158 THR C CG2 ? ? 1 +9561 C C . THR C 136 0.3118 1.0558 1.1391 0.2475 -0.0137 -0.0514 158 THR C C ? ? 1 +9562 O O . THR C 136 0.3044 1.0547 1.1372 0.2416 -0.0068 -0.0530 158 THR C O ? ? 1 +9563 N N . THR C 137 0.3246 1.0593 1.1449 0.2585 -0.0161 -0.0520 159 THR C N ? ? 1 +9564 C CA . THR C 137 0.3329 1.0643 1.1516 0.2643 -0.0104 -0.0548 159 THR C CA ? ? 1 +9565 C CB . THR C 137 0.3474 1.0744 1.1631 0.2782 -0.0149 -0.0562 159 THR C CB ? ? 1 +9566 O OG1 . THR C 137 0.3431 1.0917 1.1765 0.2835 -0.0189 -0.0593 159 THR C OG1 ? ? 1 +9567 C CG2 . THR C 137 0.3583 1.0798 1.1705 0.2848 -0.0093 -0.0589 159 THR C CG2 ? ? 1 +9568 C C . THR C 137 0.3357 1.0469 1.1377 0.2579 -0.0055 -0.0522 159 THR C C ? ? 1 +9569 O O . THR C 137 0.3349 1.0481 1.1388 0.2556 0.0016 -0.0542 159 THR C O ? ? 1 +9570 N N . ILE C 138 0.3393 1.0313 1.1250 0.2551 -0.0093 -0.0477 160 ILE C N ? ? 1 +9571 C CA . ILE C 138 0.3424 1.0150 1.1121 0.2484 -0.0055 -0.0451 160 ILE C CA ? ? 1 +9572 C CB . ILE C 138 0.3495 1.0017 1.1023 0.2475 -0.0110 -0.0404 160 ILE C CB ? ? 1 +9573 C CG1 . ILE C 138 0.3666 1.0072 1.1106 0.2597 -0.0149 -0.0406 160 ILE C CG1 ? ? 1 +9574 C CG2 . ILE C 138 0.3506 0.9853 1.0889 0.2383 -0.0075 -0.0376 160 ILE C CG2 ? ? 1 +9575 C CD1 . ILE C 138 0.3734 0.9965 1.1028 0.2595 -0.0210 -0.0361 160 ILE C CD1 ? ? 1 +9576 C C . ILE C 138 0.3276 1.0077 1.1026 0.2362 -0.0006 -0.0447 160 ILE C C ? ? 1 +9577 O O . ILE C 138 0.3287 1.0025 1.0985 0.2322 0.0054 -0.0452 160 ILE C O ? ? 1 +9578 N N . LEU C 139 0.3141 1.0070 1.0989 0.2305 -0.0035 -0.0438 161 LEU C N ? ? 1 +9579 C CA . LEU C 139 0.2999 1.0035 1.0927 0.2199 0.0008 -0.0439 161 LEU C CA ? ? 1 +9580 C CB . LEU C 139 0.2876 1.0059 1.0919 0.2163 -0.0038 -0.0433 161 LEU C CB ? ? 1 +9581 C CG . LEU C 139 0.2730 1.0043 1.0874 0.2057 0.0000 -0.0437 161 LEU C CG ? ? 1 +9582 C CD1 . LEU C 139 0.2705 0.9869 1.0717 0.1955 0.0021 -0.0399 161 LEU C CD1 ? ? 1 +9583 C CD2 . LEU C 139 0.2627 1.0099 1.0898 0.2043 -0.0049 -0.0439 161 LEU C CD2 ? ? 1 +9584 C C . LEU C 139 0.2986 1.0151 1.1025 0.2211 0.0079 -0.0482 161 LEU C C ? ? 1 +9585 O O . LEU C 139 0.2963 1.0090 1.0965 0.2146 0.0139 -0.0481 161 LEU C O ? ? 1 +9586 N N . GLY C 140 0.3012 1.0328 1.1184 0.2297 0.0072 -0.0520 162 GLY C N ? ? 1 +9587 C CA . GLY C 140 0.3004 1.0460 1.1297 0.2319 0.0139 -0.0564 162 GLY C CA ? ? 1 +9588 C C . GLY C 140 0.3114 1.0430 1.1291 0.2330 0.0201 -0.0569 162 GLY C C ? ? 1 +9589 O O . GLY C 140 0.3073 1.0436 1.1284 0.2275 0.0272 -0.0584 162 GLY C O ? ? 1 +9590 N N . PHE C 141 0.3264 1.0402 1.1300 0.2401 0.0175 -0.0558 163 PHE C N ? ? 1 +9591 C CA . PHE C 141 0.3389 1.0377 1.1301 0.2417 0.0228 -0.0563 163 PHE C CA ? ? 1 +9592 C CB . PHE C 141 0.3552 1.0336 1.1303 0.2497 0.0187 -0.0547 163 PHE C CB ? ? 1 +9593 C CG . PHE C 141 0.3645 1.0488 1.1457 0.2628 0.0154 -0.0574 163 PHE C CG ? ? 1 +9594 C CD1 . PHE C 141 0.3659 1.0654 1.1601 0.2691 0.0197 -0.0621 163 PHE C CD1 ? ? 1 +9595 C CD2 . PHE C 141 0.3729 1.0468 1.1460 0.2689 0.0080 -0.0552 163 PHE C CD2 ? ? 1 +9596 C CE1 . PHE C 141 0.3742 1.0795 1.1743 0.2815 0.0165 -0.0647 163 PHE C CE1 ? ? 1 +9597 C CE2 . PHE C 141 0.3818 1.0610 1.1601 0.2815 0.0047 -0.0576 163 PHE C CE2 ? ? 1 +9598 C CZ . PHE C 141 0.3821 1.0771 1.1741 0.2878 0.0088 -0.0624 163 PHE C CZ ? ? 1 +9599 C C . PHE C 141 0.3351 1.0245 1.1172 0.2301 0.0269 -0.0539 163 PHE C C ? ? 1 +9600 O O . PHE C 141 0.3375 1.0265 1.1186 0.2281 0.0339 -0.0558 163 PHE C O ? ? 1 +9601 N N . HIS C 142 0.3299 1.0120 1.1054 0.2227 0.0227 -0.0499 164 HIS C N ? ? 1 +9602 C CA . HIS C 142 0.3275 0.9994 1.0934 0.2121 0.0257 -0.0475 164 HIS C CA ? ? 1 +9603 C CB . HIS C 142 0.3249 0.9850 1.0808 0.2067 0.0196 -0.0429 164 HIS C CB ? ? 1 +9604 C CG . HIS C 142 0.3387 0.9796 1.0799 0.2129 0.0155 -0.0411 164 HIS C CG ? ? 1 +9605 N ND1 . HIS C 142 0.3389 0.9702 1.0724 0.2108 0.0094 -0.0374 164 HIS C ND1 ? ? 1 +9606 C CE1 . HIS C 142 0.3535 0.9681 1.0744 0.2175 0.0073 -0.0367 164 HIS C CE1 ? ? 1 +9607 N NE2 . HIS C 142 0.3630 0.9760 1.0830 0.2238 0.0115 -0.0398 164 HIS C NE2 ? ? 1 +9608 C CD2 . HIS C 142 0.3536 0.9836 1.0868 0.2211 0.0168 -0.0427 164 HIS C CD2 ? ? 1 +9609 C C . HIS C 142 0.3160 1.0038 1.0938 0.2041 0.0310 -0.0488 164 HIS C C ? ? 1 +9610 O O . HIS C 142 0.3161 0.9975 1.0874 0.1979 0.0360 -0.0485 164 HIS C O ? ? 1 +9611 N N . LEU C 143 0.3074 1.0153 1.1021 0.2044 0.0297 -0.0504 165 LEU C N ? ? 1 +9612 C CA . LEU C 143 0.2977 1.0217 1.1050 0.1979 0.0354 -0.0523 165 LEU C CA ? ? 1 +9613 C CB . LEU C 143 0.2886 1.0341 1.1145 0.1989 0.0324 -0.0540 165 LEU C CB ? ? 1 +9614 C CG . LEU C 143 0.2802 1.0259 1.1059 0.1928 0.0261 -0.0505 165 LEU C CG ? ? 1 +9615 C CD1 . LEU C 143 0.2726 1.0385 1.1159 0.1953 0.0223 -0.0525 165 LEU C CD1 ? ? 1 +9616 C CD2 . LEU C 143 0.2713 1.0147 1.0936 0.1808 0.0294 -0.0483 165 LEU C CD2 ? ? 1 +9617 C C . LEU C 143 0.3035 1.0302 1.1128 0.2008 0.0434 -0.0559 165 LEU C C ? ? 1 +9618 O O . LEU C 143 0.2998 1.0276 1.1087 0.1937 0.0494 -0.0561 165 LEU C O ? ? 1 +9619 N N . ILE C 144 0.3133 1.0404 1.1241 0.2114 0.0435 -0.0586 166 ILE C N ? ? 1 +9620 C CA . ILE C 144 0.3209 1.0496 1.1328 0.2150 0.0511 -0.0620 166 ILE C CA ? ? 1 +9621 C CB . ILE C 144 0.3309 1.0635 1.1476 0.2279 0.0499 -0.0653 166 ILE C CB ? ? 1 +9622 C CG1 . ILE C 144 0.3224 1.0783 1.1597 0.2315 0.0470 -0.0678 166 ILE C CG1 ? ? 1 +9623 C CG2 . ILE C 144 0.3404 1.0710 1.1550 0.2319 0.0580 -0.0686 166 ILE C CG2 ? ? 1 +9624 C CD1 . ILE C 144 0.3310 1.0945 1.1762 0.2442 0.0457 -0.0714 166 ILE C CD1 ? ? 1 +9625 C C . ILE C 144 0.3290 1.0374 1.1226 0.2110 0.0548 -0.0603 166 ILE C C ? ? 1 +9626 O O . ILE C 144 0.3283 1.0384 1.1218 0.2071 0.0620 -0.0618 166 ILE C O ? ? 1 +9627 N N . VAL C 145 0.3378 1.0271 1.1157 0.2120 0.0498 -0.0573 167 VAL C N ? ? 1 +9628 C CA . VAL C 145 0.3452 1.0145 1.1053 0.2074 0.0520 -0.0554 167 VAL C CA ? ? 1 +9629 C CB . VAL C 145 0.3536 1.0035 1.0986 0.2089 0.0454 -0.0521 167 VAL C CB ? ? 1 +9630 C CG1 . VAL C 145 0.3572 0.9887 1.0856 0.2010 0.0465 -0.0495 167 VAL C CG1 ? ? 1 +9631 C CG2 . VAL C 145 0.3685 1.0106 1.1087 0.2206 0.0440 -0.0539 167 VAL C CG2 ? ? 1 +9632 C C . VAL C 145 0.3347 1.0058 1.0943 0.1957 0.0552 -0.0538 167 VAL C C ? ? 1 +9633 O O . VAL C 145 0.3386 1.0031 1.0911 0.1925 0.0610 -0.0545 167 VAL C O ? ? 1 +9634 N N . LEU C 146 0.3227 1.0018 1.0890 0.1896 0.0513 -0.0515 168 LEU C N ? ? 1 +9635 C CA . LEU C 146 0.3131 0.9936 1.0788 0.1786 0.0535 -0.0496 168 LEU C CA ? ? 1 +9636 C CB . LEU C 146 0.3024 0.9904 1.0747 0.1738 0.0477 -0.0471 168 LEU C CB ? ? 1 +9637 C CG . LEU C 146 0.3064 0.9795 1.0670 0.1728 0.0406 -0.0433 168 LEU C CG ? ? 1 +9638 C CD1 . LEU C 146 0.2948 0.9771 1.0633 0.1683 0.0355 -0.0411 168 LEU C CD1 ? ? 1 +9639 C CD2 . LEU C 146 0.3110 0.9663 1.0555 0.1664 0.0418 -0.0409 168 LEU C CD2 ? ? 1 +9640 C C . LEU C 146 0.3083 1.0027 1.0842 0.1762 0.0613 -0.0526 168 LEU C C ? ? 1 +9641 O O . LEU C 146 0.3070 0.9961 1.0765 0.1696 0.0660 -0.0521 168 LEU C O ? ? 1 +9642 N N . GLY C 147 0.3044 1.0167 1.0965 0.1816 0.0627 -0.0558 169 GLY C N ? ? 1 +9643 C CA . GLY C 147 0.3005 1.0273 1.1040 0.1802 0.0705 -0.0590 169 GLY C CA ? ? 1 +9644 C C . GLY C 147 0.3115 1.0284 1.1052 0.1821 0.0775 -0.0608 169 GLY C C ? ? 1 +9645 O O . GLY C 147 0.3092 1.0279 1.1024 0.1761 0.0839 -0.0614 169 GLY C O ? ? 1 +9646 N N . ILE C 148 0.3237 1.0296 1.1090 0.1907 0.0762 -0.0618 170 ILE C N ? ? 1 +9647 C CA . ILE C 148 0.3363 1.0302 1.1101 0.1931 0.0821 -0.0634 170 ILE C CA ? ? 1 +9648 C CB . ILE C 148 0.3512 1.0342 1.1176 0.2036 0.0792 -0.0644 170 ILE C CB ? ? 1 +9649 C CG1 . ILE C 148 0.3536 1.0535 1.1358 0.2131 0.0807 -0.0684 170 ILE C CG1 ? ? 1 +9650 C CG2 . ILE C 148 0.3659 1.0299 1.1148 0.2047 0.0832 -0.0648 170 ILE C CG2 ? ? 1 +9651 C CD1 . ILE C 148 0.3676 1.0581 1.1437 0.2243 0.0779 -0.0697 170 ILE C CD1 ? ? 1 +9652 C C . ILE C 148 0.3357 1.0139 1.0940 0.1843 0.0833 -0.0605 170 ILE C C ? ? 1 +9653 O O . ILE C 148 0.3387 1.0144 1.0925 0.1814 0.0901 -0.0617 170 ILE C O ? ? 1 +9654 N N . GLY C 149 0.3316 0.9996 1.0817 0.1802 0.0765 -0.0568 171 GLY C N ? ? 1 +9655 C CA . GLY C 149 0.3306 0.9845 1.0669 0.1718 0.0764 -0.0540 171 GLY C CA ? ? 1 +9656 C C . GLY C 149 0.3213 0.9838 1.0624 0.1634 0.0818 -0.0540 171 GLY C C ? ? 1 +9657 O O . GLY C 149 0.3268 0.9798 1.0573 0.1595 0.0861 -0.0540 171 GLY C O ? ? 1 +9658 N N . ALA C 150 0.3079 0.9882 1.0646 0.1607 0.0814 -0.0541 172 ALA C N ? ? 1 +9659 C CA . ALA C 150 0.2993 0.9891 1.0620 0.1529 0.0867 -0.0542 172 ALA C CA ? ? 1 +9660 C CB . ALA C 150 0.2859 0.9940 1.0656 0.1504 0.0842 -0.0540 172 ALA C CB ? ? 1 +9661 C C . ALA C 150 0.3058 0.9999 1.0705 0.1550 0.0958 -0.0576 172 ALA C C ? ? 1 +9662 O O . ALA C 150 0.3067 0.9975 1.0659 0.1490 0.1010 -0.0573 172 ALA C O ? ? 1 +9663 N N . LEU C 151 0.3107 1.0119 1.0830 0.1638 0.0978 -0.0610 173 LEU C N ? ? 1 +9664 C CA . LEU C 151 0.3172 1.0230 1.0920 0.1665 0.1067 -0.0645 173 LEU C CA ? ? 1 +9665 C CB . LEU C 151 0.3200 1.0388 1.1082 0.1765 0.1076 -0.0682 173 LEU C CB ? ? 1 +9666 C CG . LEU C 151 0.3071 1.0476 1.1159 0.1760 0.1054 -0.0691 173 LEU C CG ? ? 1 +9667 C CD1 . LEU C 151 0.3112 1.0643 1.1328 0.1860 0.1064 -0.0731 173 LEU C CD1 ? ? 1 +9668 C CD2 . LEU C 151 0.2978 1.0506 1.1157 0.1673 0.1112 -0.0694 173 LEU C CD2 ? ? 1 +9669 C C . LEU C 151 0.3300 1.0164 1.0859 0.1670 0.1100 -0.0644 173 LEU C C ? ? 1 +9670 O O . LEU C 151 0.3340 1.0207 1.0876 0.1657 0.1178 -0.0662 173 LEU C O ? ? 1 +9671 N N . LEU C 152 0.3363 1.0055 1.0782 0.1686 0.1040 -0.0623 174 LEU C N ? ? 1 +9672 C CA . LEU C 152 0.3489 0.9985 1.0718 0.1679 0.1061 -0.0620 174 LEU C CA ? ? 1 +9673 C CB . LEU C 152 0.3551 0.9876 1.0652 0.1705 0.0986 -0.0599 174 LEU C CB ? ? 1 +9674 C CG . LEU C 152 0.3638 0.9945 1.0752 0.1812 0.0962 -0.0618 174 LEU C CG ? ? 1 +9675 C CD1 . LEU C 152 0.3715 0.9826 1.0677 0.1825 0.0899 -0.0597 174 LEU C CD1 ? ? 1 +9676 C CD2 . LEU C 152 0.3755 1.0071 1.0868 0.1882 0.1037 -0.0659 174 LEU C CD2 ? ? 1 +9677 C C . LEU C 152 0.3448 0.9893 1.0600 0.1581 0.1089 -0.0601 174 LEU C C ? ? 1 +9678 O O . LEU C 152 0.3540 0.9880 1.0574 0.1573 0.1138 -0.0610 174 LEU C O ? ? 1 +9679 N N . LEU C 153 0.3320 0.9837 1.0534 0.1510 0.1057 -0.0575 175 LEU C N ? ? 1 +9680 C CA . LEU C 153 0.3291 0.9775 1.0446 0.1419 0.1083 -0.0557 175 LEU C CA ? ? 1 +9681 C CB . LEU C 153 0.3157 0.9689 1.0361 0.1349 0.1025 -0.0524 175 LEU C CB ? ? 1 +9682 C CG . LEU C 153 0.3117 0.9634 1.0276 0.1256 0.1054 -0.0506 175 LEU C CG ? ? 1 +9683 C CD1 . LEU C 153 0.3197 0.9519 1.0165 0.1229 0.1042 -0.0491 175 LEU C CD1 ? ? 1 +9684 C CD2 . LEU C 153 0.2977 0.9585 1.0226 0.1196 0.1008 -0.0479 175 LEU C CD2 ? ? 1 +9685 C C . LEU C 153 0.3291 0.9889 1.0521 0.1404 0.1175 -0.0581 175 LEU C C ? ? 1 +9686 O O . LEU C 153 0.3341 0.9864 1.0472 0.1362 0.1223 -0.0580 175 LEU C O ? ? 1 +9687 N N . VAL C 154 0.3239 1.0018 1.0645 0.1438 0.1197 -0.0603 176 VAL C N ? ? 1 +9688 C CA . VAL C 154 0.3243 1.0147 1.0741 0.1430 0.1288 -0.0630 176 VAL C CA ? ? 1 +9689 C CB . VAL C 154 0.3167 1.0285 1.0880 0.1466 0.1290 -0.0653 176 VAL C CB ? ? 1 +9690 C CG1 . VAL C 154 0.3189 1.0440 1.1005 0.1466 0.1390 -0.0687 176 VAL C CG1 ? ? 1 +9691 C CG2 . VAL C 154 0.3021 1.0229 1.0828 0.1408 0.1229 -0.0628 176 VAL C CG2 ? ? 1 +9692 C C . VAL C 154 0.3392 1.0202 1.0788 0.1479 0.1354 -0.0656 176 VAL C C ? ? 1 +9693 O O . VAL C 154 0.3433 1.0222 1.0778 0.1442 0.1427 -0.0663 176 VAL C O ? ? 1 +9694 N N . ALA C 155 0.3479 1.0223 1.0836 0.1563 0.1327 -0.0670 177 ALA C N ? ? 1 +9695 C CA . ALA C 155 0.3640 1.0287 1.0896 0.1621 0.1382 -0.0697 177 ALA C CA ? ? 1 +9696 C CB . ALA C 155 0.3713 1.0296 1.0943 0.1714 0.1334 -0.0707 177 ALA C CB ? ? 1 +9697 C C . ALA C 155 0.3731 1.0192 1.0789 0.1570 0.1399 -0.0681 177 ALA C C ? ? 1 +9698 O O . ALA C 155 0.3821 1.0254 1.0823 0.1568 0.1478 -0.0700 177 ALA C O ? ? 1 +9699 N N . LYS C 156 0.3719 1.0054 1.0670 0.1529 0.1325 -0.0648 178 LYS C N ? ? 1 +9700 C CA . LYS C 156 0.3792 0.9957 1.0561 0.1476 0.1330 -0.0632 178 LYS C CA ? ? 1 +9701 C CB . LYS C 156 0.3737 0.9802 1.0432 0.1433 0.1237 -0.0596 178 LYS C CB ? ? 1 +9702 C CG . LYS C 156 0.3798 0.9688 1.0307 0.1377 0.1230 -0.0579 178 LYS C CG ? ? 1 +9703 C CD . LYS C 156 0.3966 0.9692 1.0322 0.1429 0.1247 -0.0600 178 LYS C CD ? ? 1 +9704 C CE . LYS C 156 0.4046 0.9612 1.0222 0.1378 0.1252 -0.0592 178 LYS C CE ? ? 1 +9705 N NZ . LYS C 156 0.4042 0.9659 1.0218 0.1332 0.1325 -0.0595 178 LYS C NZ ? ? 1 +9706 C C . LYS C 156 0.3775 0.9996 1.0556 0.1406 0.1396 -0.0629 178 LYS C C ? ? 1 +9707 O O . LYS C 156 0.3878 1.0004 1.0538 0.1396 0.1451 -0.0638 178 LYS C O ? ? 1 +9708 N N . ALA C 157 0.3659 1.0031 1.0581 0.1358 0.1390 -0.0616 179 ALA C N ? ? 1 +9709 C CA . ALA C 157 0.3640 1.0066 1.0580 0.1284 0.1445 -0.0609 179 ALA C CA ? ? 1 +9710 C CB . ALA C 157 0.3478 1.0046 1.0563 0.1234 0.1408 -0.0589 179 ALA C CB ? ? 1 +9711 C C . ALA C 157 0.3736 1.0244 1.0727 0.1306 0.1551 -0.0642 179 ALA C C ? ? 1 +9712 O O . ALA C 157 0.3792 1.0256 1.0707 0.1261 0.1613 -0.0640 179 ALA C O ? ? 1 +9713 N N . MET C 158 0.3767 1.0393 1.0887 0.1377 0.1574 -0.0672 180 MET C N ? ? 1 +9714 C CA . MET C 158 0.3839 1.0575 1.1043 0.1394 0.1675 -0.0705 180 MET C CA ? ? 1 +9715 C CB . MET C 158 0.3744 1.0695 1.1175 0.1428 0.1672 -0.0725 180 MET C CB ? ? 1 +9716 C CG . MET C 158 0.3592 1.0665 1.1142 0.1353 0.1645 -0.0703 180 MET C CG ? ? 1 +9717 S SD . MET C 158 0.3482 1.0818 1.1304 0.1384 0.1647 -0.0731 180 MET C SD ? ? 1 +9718 C CE . MET C 158 0.3537 1.0980 1.1431 0.1366 0.1782 -0.0764 180 MET C CE ? ? 1 +9719 C C . MET C 158 0.4039 1.0670 1.1131 0.1461 0.1728 -0.0732 180 MET C C ? ? 1 +9720 O O . MET C 158 0.4118 1.0750 1.1179 0.1451 0.1819 -0.0749 180 MET C O ? ? 1 +9721 N N . PHE C 159 0.4138 1.0668 1.1160 0.1528 0.1673 -0.0737 181 PHE C N ? ? 1 +9722 C CA . PHE C 159 0.4316 1.0769 1.1261 0.1606 0.1719 -0.0768 181 PHE C CA ? ? 1 +9723 C CB . PHE C 159 0.4340 1.0898 1.1420 0.1695 0.1695 -0.0792 181 PHE C CB ? ? 1 +9724 C CG . PHE C 159 0.4270 1.1069 1.1582 0.1694 0.1723 -0.0807 181 PHE C CG ? ? 1 +9725 C CD1 . PHE C 159 0.4308 1.1219 1.1699 0.1684 0.1826 -0.0833 181 PHE C CD1 ? ? 1 +9726 C CD2 . PHE C 159 0.4170 1.1081 1.1618 0.1704 0.1648 -0.0798 181 PHE C CD2 ? ? 1 +9727 C CE1 . PHE C 159 0.4219 1.1355 1.1829 0.1680 0.1851 -0.0850 181 PHE C CE1 ? ? 1 +9728 C CE2 . PHE C 159 0.4079 1.1213 1.1742 0.1703 0.1671 -0.0815 181 PHE C CE2 ? ? 1 +9729 C CZ . PHE C 159 0.4101 1.1348 1.1847 0.1689 0.1772 -0.0842 181 PHE C CZ ? ? 1 +9730 C C . PHE C 159 0.4446 1.0665 1.1169 0.1618 0.1685 -0.0759 181 PHE C C ? ? 1 +9731 O O . PHE C 159 0.4592 1.0728 1.1224 0.1670 0.1736 -0.0784 181 PHE C O ? ? 1 +9732 N N . PHE C 160 0.4402 1.0517 1.1040 0.1573 0.1602 -0.0725 182 PHE C N ? ? 1 +9733 C CA . PHE C 160 0.4514 1.0415 1.0953 0.1585 0.1563 -0.0719 182 PHE C CA ? ? 1 +9734 C CB . PHE C 160 0.4527 1.0380 1.0971 0.1637 0.1475 -0.0712 182 PHE C CB ? ? 1 +9735 C CG . PHE C 160 0.4581 1.0523 1.1134 0.1733 0.1490 -0.0742 182 PHE C CG ? ? 1 +9736 C CD1 . PHE C 160 0.4760 1.0620 1.1233 0.1806 0.1536 -0.0774 182 PHE C CD1 ? ? 1 +9737 C CD2 . PHE C 160 0.4476 1.0584 1.1210 0.1752 0.1456 -0.0740 182 PHE C CD2 ? ? 1 +9738 C CE1 . PHE C 160 0.4799 1.0747 1.1378 0.1900 0.1550 -0.0803 182 PHE C CE1 ? ? 1 +9739 C CE2 . PHE C 160 0.4517 1.0713 1.1356 0.1845 0.1467 -0.0769 182 PHE C CE2 ? ? 1 +9740 C CZ . PHE C 160 0.4674 1.0791 1.1436 0.1920 0.1514 -0.0801 182 PHE C CZ ? ? 1 +9741 C C . PHE C 160 0.4467 1.0254 1.0775 0.1497 0.1537 -0.0688 182 PHE C C ? ? 1 +9742 O O . PHE C 160 0.4436 1.0124 1.0672 0.1475 0.1456 -0.0664 182 PHE C O ? ? 1 +9743 N N . GLY C 161 0.4459 1.0257 1.0734 0.1451 0.1607 -0.0689 183 GLY C N ? ? 1 +9744 C CA . GLY C 161 0.4464 1.0133 1.0586 0.1380 0.1594 -0.0666 183 GLY C CA ? ? 1 +9745 C C . GLY C 161 0.4308 1.0068 1.0505 0.1296 0.1581 -0.0637 183 GLY C C ? ? 1 +9746 O O . GLY C 161 0.4335 1.0032 1.0434 0.1239 0.1606 -0.0624 183 GLY C O ? ? 1 +9747 N N . GLY C 162 0.4142 1.0047 1.0507 0.1291 0.1541 -0.0626 184 GLY C N ? ? 1 +9748 C CA . GLY C 162 0.3985 0.9986 1.0435 0.1216 0.1526 -0.0599 184 GLY C CA ? ? 1 +9749 C C . GLY C 162 0.3894 0.9824 1.0296 0.1174 0.1427 -0.0565 184 GLY C C ? ? 1 +9750 O O . GLY C 162 0.3916 0.9762 1.0268 0.1209 0.1364 -0.0563 184 GLY C O ? ? 1 +9751 N N . LEU C 163 0.3784 0.9746 1.0200 0.1097 0.1417 -0.0539 185 LEU C N ? ? 1 +9752 C CA . LEU C 163 0.3683 0.9595 1.0067 0.1050 0.1330 -0.0506 185 LEU C CA ? ? 1 +9753 C CB . LEU C 163 0.3514 0.9591 1.0077 0.1027 0.1300 -0.0493 185 LEU C CB ? ? 1 +9754 C CG . LEU C 163 0.3471 0.9654 1.0170 0.1091 0.1282 -0.0509 185 LEU C CG ? ? 1 +9755 C CD1 . LEU C 163 0.3316 0.9649 1.0174 0.1060 0.1247 -0.0493 185 LEU C CD1 ? ? 1 +9756 C CD2 . LEU C 163 0.3524 0.9592 1.0145 0.1140 0.1217 -0.0508 185 LEU C CD2 ? ? 1 +9757 C C . LEU C 163 0.3711 0.9527 0.9966 0.0982 0.1340 -0.0488 185 LEU C C ? ? 1 +9758 O O . LEU C 163 0.3753 0.9586 0.9988 0.0963 0.1415 -0.0496 185 LEU C O ? ? 1 +9759 N N . TYR C 164 0.3687 0.9406 0.9857 0.0947 0.1265 -0.0463 186 TYR C N ? ? 1 +9760 C CA . TYR C 164 0.3706 0.9342 0.9763 0.0883 0.1262 -0.0443 186 TYR C CA ? ? 1 +9761 C CB . TYR C 164 0.3703 0.9212 0.9652 0.0859 0.1175 -0.0424 186 TYR C CB ? ? 1 +9762 C CG . TYR C 164 0.3727 0.9153 0.9557 0.0801 0.1177 -0.0408 186 TYR C CG ? ? 1 +9763 C CD1 . TYR C 164 0.3874 0.9175 0.9547 0.0808 0.1216 -0.0422 186 TYR C CD1 ? ? 1 +9764 C CD2 . TYR C 164 0.3612 0.9089 0.9487 0.0740 0.1145 -0.0379 186 TYR C CD2 ? ? 1 +9765 C CE1 . TYR C 164 0.3909 0.9135 0.9469 0.0758 0.1218 -0.0407 186 TYR C CE1 ? ? 1 +9766 C CE2 . TYR C 164 0.3648 0.9052 0.9414 0.0690 0.1148 -0.0365 186 TYR C CE2 ? ? 1 +9767 C CZ . TYR C 164 0.3800 0.9078 0.9408 0.0700 0.1184 -0.0379 186 TYR C CZ ? ? 1 +9768 O OH . TYR C 164 0.3853 0.9053 0.9347 0.0655 0.1183 -0.0364 186 TYR C OH ? ? 1 +9769 C C . TYR C 164 0.3595 0.9360 0.9766 0.0826 0.1276 -0.0424 186 TYR C C ? ? 1 +9770 O O . TYR C 164 0.3470 0.9330 0.9761 0.0814 0.1229 -0.0410 186 TYR C O ? ? 1 +9771 N N . ASP C 165 0.3657 0.9418 0.9783 0.0792 0.1343 -0.0424 187 ASP C N ? ? 1 +9772 C CA . ASP C 165 0.3573 0.9445 0.9795 0.0736 0.1366 -0.0408 187 ASP C CA ? ? 1 +9773 C CB . ASP C 165 0.3596 0.9569 0.9897 0.0746 0.1468 -0.0430 187 ASP C CB ? ? 1 +9774 C CG . ASP C 165 0.3494 0.9587 0.9904 0.0688 0.1496 -0.0416 187 ASP C CG ? ? 1 +9775 O OD1 . ASP C 165 0.3380 0.9501 0.9833 0.0648 0.1433 -0.0391 187 ASP C OD1 ? ? 1 +9776 O OD2 . ASP C 165 0.3535 0.9690 0.9986 0.0681 0.1584 -0.0431 187 ASP C OD2 ? ? 1 +9777 C C . ASP C 165 0.3610 0.9382 0.9706 0.0676 0.1348 -0.0382 187 ASP C C ? ? 1 +9778 O O . ASP C 165 0.3725 0.9407 0.9695 0.0667 0.1398 -0.0387 187 ASP C O ? ? 1 +9779 N N . THR C 166 0.3526 0.9312 0.9652 0.0636 0.1275 -0.0356 188 THR C N ? ? 1 +9780 C CA . THR C 166 0.3562 0.9264 0.9580 0.0580 0.1252 -0.0331 188 THR C CA ? ? 1 +9781 C CB . THR C 166 0.3424 0.9145 0.9487 0.0550 0.1162 -0.0306 188 THR C CB ? ? 1 +9782 O OG1 . THR C 166 0.3441 0.9052 0.9373 0.0509 0.1132 -0.0286 188 THR C OG1 ? ? 1 +9783 C CG2 . THR C 166 0.3279 0.9157 0.9513 0.0522 0.1163 -0.0294 188 THR C CG2 ? ? 1 +9784 C C . THR C 166 0.3620 0.9370 0.9652 0.0537 0.1323 -0.0325 188 THR C C ? ? 1 +9785 O O . THR C 166 0.3681 0.9338 0.9590 0.0501 0.1329 -0.0311 188 THR C O ? ? 1 +9786 N N . TRP C 167 0.3635 0.9529 0.9818 0.0540 0.1377 -0.0336 189 TRP C N ? ? 1 +9787 C CA . TRP C 167 0.3683 0.9632 0.9894 0.0497 0.1450 -0.0332 189 TRP C CA ? ? 1 +9788 C CB . TRP C 167 0.3518 0.9649 0.9933 0.0484 0.1463 -0.0335 189 TRP C CB ? ? 1 +9789 C CG . TRP C 167 0.3348 0.9529 0.9839 0.0457 0.1378 -0.0312 189 TRP C CG ? ? 1 +9790 C CD1 . TRP C 167 0.3248 0.9491 0.9837 0.0488 0.1314 -0.0314 189 TRP C CD1 ? ? 1 +9791 N NE1 . TRP C 167 0.3128 0.9401 0.9761 0.0448 0.1248 -0.0289 189 TRP C NE1 ? ? 1 +9792 C CE2 . TRP C 167 0.3132 0.9365 0.9701 0.0391 0.1269 -0.0270 189 TRP C CE2 ? ? 1 +9793 C CZ2 . TRP C 167 0.3039 0.9280 0.9619 0.0339 0.1224 -0.0242 189 TRP C CZ2 ? ? 1 +9794 C CH2 . TRP C 167 0.3079 0.9263 0.9573 0.0291 0.1259 -0.0227 189 TRP C CH2 ? ? 1 +9795 C CZ3 . TRP C 167 0.3211 0.9329 0.9607 0.0293 0.1338 -0.0239 189 TRP C CZ3 ? ? 1 +9796 C CE3 . TRP C 167 0.3302 0.9413 0.9688 0.0344 0.1384 -0.0266 189 TRP C CE3 ? ? 1 +9797 C CD2 . TRP C 167 0.3267 0.9438 0.9742 0.0395 0.1349 -0.0283 189 TRP C CD2 ? ? 1 +9798 C C . TRP C 167 0.3929 0.9834 1.0064 0.0516 0.1547 -0.0353 189 TRP C C ? ? 1 +9799 O O . TRP C 167 0.3967 0.9909 1.0117 0.0480 0.1617 -0.0351 189 TRP C O ? ? 1 +9800 N N . ALA C 168 0.4178 0.9998 1.0225 0.0570 0.1552 -0.0373 190 ALA C N ? ? 1 +9801 C CA . ALA C 168 0.4467 1.0249 1.0446 0.0596 0.1646 -0.0397 190 ALA C CA ? ? 1 +9802 C CB . ALA C 168 0.4555 1.0252 1.0457 0.0662 0.1634 -0.0420 190 ALA C CB ? ? 1 +9803 C C . ALA C 168 0.4771 1.0438 1.0590 0.0555 0.1689 -0.0383 190 ALA C C ? ? 1 +9804 O O . ALA C 168 0.4832 1.0379 1.0520 0.0534 0.1632 -0.0364 190 ALA C O ? ? 1 +9805 N N . PRO C 169 0.5106 1.0797 1.0921 0.0547 0.1793 -0.0395 191 PRO C N ? ? 1 +9806 C CA . PRO C 169 0.5320 1.0929 1.1013 0.0498 0.1839 -0.0378 191 PRO C CA ? ? 1 +9807 C CB . PRO C 169 0.5422 1.1086 1.1151 0.0505 0.1960 -0.0400 191 PRO C CB ? ? 1 +9808 C CG . PRO C 169 0.5306 1.1142 1.1245 0.0541 0.1968 -0.0425 191 PRO C CG ? ? 1 +9809 C CD . PRO C 169 0.5227 1.1022 1.1151 0.0586 0.1872 -0.0427 191 PRO C CD ? ? 1 +9810 C C . PRO C 169 0.5614 1.1027 1.1078 0.0501 0.1810 -0.0368 191 PRO C C ? ? 1 +9811 O O . PRO C 169 0.5856 1.1196 1.1218 0.0457 0.1818 -0.0346 191 PRO C O ? ? 1 +9812 N N . GLY C 170 0.5720 1.1047 1.1100 0.0553 0.1776 -0.0385 192 GLY C N ? ? 1 +9813 C CA . GLY C 170 0.5808 1.0950 1.0970 0.0559 0.1751 -0.0382 192 GLY C CA ? ? 1 +9814 C C . GLY C 170 0.5694 1.0761 1.0795 0.0546 0.1636 -0.0363 192 GLY C C ? ? 1 +9815 O O . GLY C 170 0.5950 1.0869 1.0877 0.0555 0.1607 -0.0364 192 GLY C O ? ? 1 +9816 N N . GLY C 171 0.5433 1.0602 1.0673 0.0523 0.1572 -0.0346 193 GLY C N ? ? 1 +9817 C CA . GLY C 171 0.5273 1.0386 1.0476 0.0512 0.1464 -0.0331 193 GLY C CA ? ? 1 +9818 C C . GLY C 171 0.5068 1.0237 1.0376 0.0546 0.1402 -0.0341 193 GLY C C ? ? 1 +9819 O O . GLY C 171 0.5048 1.0167 1.0326 0.0541 0.1315 -0.0331 193 GLY C O ? ? 1 +9820 N N . GLY C 172 0.4877 1.0152 1.0313 0.0581 0.1450 -0.0361 194 GLY C N ? ? 1 +9821 C CA . GLY C 172 0.4697 1.0029 1.0236 0.0621 0.1401 -0.0372 194 GLY C CA ? ? 1 +9822 C C . GLY C 172 0.4749 1.0005 1.0213 0.0683 0.1427 -0.0402 194 GLY C C ? ? 1 +9823 O O . GLY C 172 0.4882 0.9991 1.0175 0.0691 0.1423 -0.0409 194 GLY C O ? ? 1 +9824 N N . ASP C 173 0.4621 0.9975 1.0210 0.0728 0.1451 -0.0422 195 ASP C N ? ? 1 +9825 C CA . ASP C 173 0.4676 0.9967 1.0205 0.0792 0.1481 -0.0453 195 ASP C CA ? ? 1 +9826 C CB . ASP C 173 0.4822 1.0081 1.0273 0.0799 0.1584 -0.0470 195 ASP C CB ? ? 1 +9827 C CG . ASP C 173 0.4995 1.0132 1.0313 0.0855 0.1614 -0.0499 195 ASP C CG ? ? 1 +9828 O OD1 . ASP C 173 0.5038 1.0104 1.0315 0.0889 0.1552 -0.0507 195 ASP C OD1 ? ? 1 +9829 O OD2 . ASP C 173 0.5108 1.0217 1.0360 0.0865 0.1701 -0.0513 195 ASP C OD2 ? ? 1 +9830 C C . ASP C 173 0.4524 0.9936 1.0215 0.0840 0.1478 -0.0468 195 ASP C C ? ? 1 +9831 O O . ASP C 173 0.4374 0.9923 1.0223 0.0822 0.1461 -0.0457 195 ASP C O ? ? 1 +9832 N N . VAL C 174 0.4553 0.9908 1.0199 0.0903 0.1490 -0.0495 196 VAL C N ? ? 1 +9833 C CA . VAL C 174 0.4459 0.9921 1.0246 0.0960 0.1498 -0.0514 196 VAL C CA ? ? 1 +9834 C CB . VAL C 174 0.4560 0.9910 1.0260 0.1024 0.1472 -0.0536 196 VAL C CB ? ? 1 +9835 C CG1 . VAL C 174 0.4511 0.9970 1.0354 0.1088 0.1479 -0.0556 196 VAL C CG1 ? ? 1 +9836 C CG2 . VAL C 174 0.4559 0.9790 1.0165 0.1003 0.1373 -0.0517 196 VAL C CG2 ? ? 1 +9837 C C . VAL C 174 0.4430 1.0010 1.0311 0.0972 0.1600 -0.0533 196 VAL C C ? ? 1 +9838 O O . VAL C 174 0.4552 1.0070 1.0333 0.0972 0.1673 -0.0546 196 VAL C O ? ? 1 +9839 N N . ARG C 175 0.4258 1.0009 1.0331 0.0980 0.1604 -0.0536 197 ARG C N ? ? 1 +9840 C CA . ARG C 175 0.4203 1.0093 1.0397 0.0981 0.1695 -0.0553 197 ARG C CA ? ? 1 +9841 C CB . ARG C 175 0.4085 1.0051 1.0338 0.0903 0.1706 -0.0528 197 ARG C CB ? ? 1 +9842 C CG . ARG C 175 0.4025 1.0158 1.0435 0.0895 0.1788 -0.0543 197 ARG C CG ? ? 1 +9843 C CD . ARG C 175 0.3941 1.0117 1.0375 0.0814 0.1809 -0.0519 197 ARG C CD ? ? 1 +9844 N NE . ARG C 175 0.3762 1.0030 1.0315 0.0782 0.1733 -0.0498 197 ARG C NE ? ? 1 +9845 C CZ . ARG C 175 0.3628 1.0073 1.0376 0.0777 0.1741 -0.0506 197 ARG C CZ ? ? 1 +9846 N NH1 . ARG C 175 0.3649 1.0209 1.0512 0.0814 0.1811 -0.0538 197 ARG C NH1 ? ? 1 +9847 N NH2 . ARG C 175 0.3482 0.9991 1.0313 0.0736 0.1677 -0.0483 197 ARG C NH2 ? ? 1 +9848 C C . ARG C 175 0.4119 1.0154 1.0490 0.1038 0.1691 -0.0574 197 ARG C C ? ? 1 +9849 O O . ARG C 175 0.3987 1.0073 1.0444 0.1043 0.1615 -0.0562 197 ARG C O ? ? 1 +9850 N N . VAL C 176 0.4196 1.0293 1.0617 0.1083 0.1776 -0.0606 198 VAL C N ? ? 1 +9851 C CA . VAL C 176 0.4137 1.0392 1.0740 0.1138 0.1784 -0.0630 198 VAL C CA ? ? 1 +9852 C CB . VAL C 176 0.4257 1.0516 1.0853 0.1207 0.1868 -0.0669 198 VAL C CB ? ? 1 +9853 C CG1 . VAL C 176 0.4197 1.0627 1.0989 0.1269 0.1871 -0.0695 198 VAL C CG1 ? ? 1 +9854 C CG2 . VAL C 176 0.4391 1.0456 1.0795 0.1252 0.1848 -0.0676 198 VAL C CG2 ? ? 1 +9855 C C . VAL C 176 0.4005 1.0441 1.0786 0.1087 0.1804 -0.0622 198 VAL C C ? ? 1 +9856 O O . VAL C 176 0.4011 1.0460 1.0775 0.1029 0.1863 -0.0615 198 VAL C O ? ? 1 +9857 N N . ILE C 177 0.3895 1.0459 1.0836 0.1106 0.1749 -0.0623 199 ILE C N ? ? 1 +9858 C CA . ILE C 177 0.3784 1.0531 1.0909 0.1065 0.1760 -0.0621 199 ILE C CA ? ? 1 +9859 C CB . ILE C 177 0.3654 1.0452 1.0863 0.1056 0.1656 -0.0599 199 ILE C CB ? ? 1 +9860 C CG1 . ILE C 177 0.3608 1.0294 1.0702 0.0987 0.1598 -0.0559 199 ILE C CG1 ? ? 1 +9861 C CG2 . ILE C 177 0.3540 1.0553 1.0971 0.1043 0.1666 -0.0610 199 ILE C CG2 ? ? 1 +9862 C CD1 . ILE C 177 0.3716 1.0201 1.0606 0.0996 0.1570 -0.0548 199 ILE C CD1 ? ? 1 +9863 C C . ILE C 177 0.3806 1.0710 1.1087 0.1116 0.1831 -0.0661 199 ILE C C ? ? 1 +9864 O O . ILE C 177 0.3772 1.0741 1.1143 0.1183 0.1797 -0.0679 199 ILE C O ? ? 1 +9865 N N . THR C 178 0.3876 1.0841 1.1189 0.1083 0.1930 -0.0675 200 THR C N ? ? 1 +9866 C CA . THR C 178 0.3939 1.1053 1.1397 0.1128 0.2008 -0.0715 200 THR C CA ? ? 1 +9867 C CB . THR C 178 0.4057 1.1127 1.1434 0.1112 0.2125 -0.0730 200 THR C CB ? ? 1 +9868 O OG1 . THR C 178 0.4039 1.1095 1.1382 0.1021 0.2155 -0.0706 200 THR C OG1 ? ? 1 +9869 C CG2 . THR C 178 0.4204 1.1074 1.1368 0.1152 0.2133 -0.0731 200 THR C CG2 ? ? 1 +9870 C C . THR C 178 0.3826 1.1158 1.1515 0.1104 0.2003 -0.0724 200 THR C C ? ? 1 +9871 O O . THR C 178 0.3814 1.1287 1.1655 0.1161 0.2018 -0.0756 200 THR C O ? ? 1 +9872 N N . ASN C 179 0.3769 1.1125 1.1481 0.1023 0.1977 -0.0695 201 ASN C N ? ? 1 +9873 C CA . ASN C 179 0.3675 1.1227 1.1594 0.0988 0.1973 -0.0702 201 ASN C CA ? ? 1 +9874 C CB . ASN C 179 0.3734 1.1338 1.1682 0.0912 0.2068 -0.0704 201 ASN C CB ? ? 1 +9875 C CG . ASN C 179 0.3917 1.1550 1.1872 0.0944 0.2183 -0.0740 201 ASN C CG ? ? 1 +9876 O OD1 . ASN C 179 0.4027 1.1593 1.1913 0.1019 0.2195 -0.0758 201 ASN C OD1 ? ? 1 +9877 N ND2 . ASN C 179 0.3969 1.1698 1.2005 0.0889 0.2275 -0.0751 201 ASN C ND2 ? ? 1 +9878 C C . ASN C 179 0.3520 1.1078 1.1467 0.0959 0.1864 -0.0672 201 ASN C C ? ? 1 +9879 O O . ASN C 179 0.3425 1.0966 1.1350 0.0882 0.1853 -0.0645 201 ASN C O ? ? 1 +9880 N N . PRO C 180 0.3476 1.1058 1.1473 0.1023 0.1782 -0.0676 202 PRO C N ? ? 1 +9881 C CA . PRO C 180 0.3357 1.0953 1.1389 0.1002 0.1679 -0.0649 202 PRO C CA ? ? 1 +9882 C CB . PRO C 180 0.3370 1.0943 1.1403 0.1093 0.1612 -0.0658 202 PRO C CB ? ? 1 +9883 C CG . PRO C 180 0.3442 1.1102 1.1556 0.1160 0.1684 -0.0702 202 PRO C CG ? ? 1 +9884 C CD . PRO C 180 0.3539 1.1139 1.1564 0.1121 0.1787 -0.0707 202 PRO C CD ? ? 1 +9885 C C . PRO C 180 0.3248 1.1041 1.1482 0.0961 0.1680 -0.0658 202 PRO C C ? ? 1 +9886 O O . PRO C 180 0.3287 1.1235 1.1673 0.0984 0.1735 -0.0693 202 PRO C O ? ? 1 +9887 N N . THR C 181 0.3162 1.0948 1.1397 0.0902 0.1618 -0.0627 203 THR C N ? ? 1 +9888 C CA . THR C 181 0.3068 1.1026 1.1479 0.0857 0.1612 -0.0633 203 THR C CA ? ? 1 +9889 C CB . THR C 181 0.2976 1.0871 1.1328 0.0784 0.1553 -0.0592 203 THR C CB ? ? 1 +9890 O OG1 . THR C 181 0.3033 1.0765 1.1204 0.0739 0.1590 -0.0568 203 THR C OG1 ? ? 1 +9891 C CG2 . THR C 181 0.2878 1.0929 1.1388 0.0724 0.1562 -0.0598 203 THR C CG2 ? ? 1 +9892 C C . THR C 181 0.3052 1.1157 1.1629 0.0920 0.1556 -0.0656 203 THR C C ? ? 1 +9893 O O . THR C 181 0.3015 1.1071 1.1560 0.0957 0.1467 -0.0640 203 THR C O ? ? 1 +9894 N N . LEU C 182 0.3104 1.1394 1.1863 0.0932 0.1609 -0.0695 204 LEU C N ? ? 1 +9895 C CA . LEU C 182 0.3091 1.1536 1.2020 0.0994 0.1559 -0.0721 204 LEU C CA ? ? 1 +9896 C CB . LEU C 182 0.3192 1.1731 1.2209 0.1062 0.1629 -0.0767 204 LEU C CB ? ? 1 +9897 C CG . LEU C 182 0.3341 1.1720 1.2195 0.1127 0.1649 -0.0766 204 LEU C CG ? ? 1 +9898 C CD1 . LEU C 182 0.3425 1.1900 1.2365 0.1186 0.1732 -0.0812 204 LEU C CD1 ? ? 1 +9899 C CD2 . LEU C 182 0.3350 1.1626 1.2121 0.1193 0.1545 -0.0748 204 LEU C CD2 ? ? 1 +9900 C C . LEU C 182 0.3005 1.1618 1.2106 0.0942 0.1533 -0.0727 204 LEU C C ? ? 1 +9901 O O . LEU C 182 0.2896 1.1619 1.2119 0.0984 0.1468 -0.0740 204 LEU C O ? ? 1 +9902 N N . ASP C 183 0.3076 1.1696 1.2175 0.0849 0.1582 -0.0715 205 ASP C N ? ? 1 +9903 C CA . ASP C 183 0.3092 1.1861 1.2345 0.0789 0.1567 -0.0721 205 ASP C CA ? ? 1 +9904 C CB . ASP C 183 0.3180 1.1916 1.2389 0.0690 0.1643 -0.0707 205 ASP C CB ? ? 1 +9905 C CG . ASP C 183 0.3155 1.2039 1.2518 0.0618 0.1645 -0.0716 205 ASP C CG ? ? 1 +9906 O OD1 . ASP C 183 0.3108 1.2129 1.2619 0.0643 0.1581 -0.0733 205 ASP C OD1 ? ? 1 +9907 O OD2 . ASP C 183 0.3231 1.2092 1.2565 0.0537 0.1710 -0.0707 205 ASP C OD2 ? ? 1 +9908 C C . ASP C 183 0.3073 1.1819 1.2316 0.0788 0.1451 -0.0693 205 ASP C C ? ? 1 +9909 O O . ASP C 183 0.3047 1.1638 1.2137 0.0754 0.1411 -0.0652 205 ASP C O ? ? 1 +9910 N N . PRO C 184 0.3068 1.1968 1.2475 0.0825 0.1393 -0.0715 206 PRO C N ? ? 1 +9911 C CA . PRO C 184 0.3029 1.1903 1.2422 0.0834 0.1282 -0.0690 206 PRO C CA ? ? 1 +9912 C CB . PRO C 184 0.2969 1.2042 1.2565 0.0891 0.1245 -0.0730 206 PRO C CB ? ? 1 +9913 C CG . PRO C 184 0.2954 1.2183 1.2698 0.0868 0.1339 -0.0772 206 PRO C CG ? ? 1 +9914 C CD . PRO C 184 0.3051 1.2161 1.2666 0.0858 0.1431 -0.0766 206 PRO C CD ? ? 1 +9915 C C . PRO C 184 0.2983 1.1825 1.2345 0.0741 0.1257 -0.0659 206 PRO C C ? ? 1 +9916 O O . PRO C 184 0.2967 1.1725 1.2252 0.0739 0.1174 -0.0627 206 PRO C O ? ? 1 +9917 N N . ARG C 185 0.3041 1.1950 1.2463 0.0664 0.1329 -0.0668 207 ARG C N ? ? 1 +9918 C CA . ARG C 185 0.3024 1.1902 1.2417 0.0575 0.1311 -0.0640 207 ARG C CA ? ? 1 +9919 C CB . ARG C 185 0.3159 1.2148 1.2660 0.0498 0.1397 -0.0661 207 ARG C CB ? ? 1 +9920 C CG . ARG C 185 0.3337 1.2550 1.3069 0.0500 0.1387 -0.0703 207 ARG C CG ? ? 1 +9921 C CD . ARG C 185 0.3562 1.2914 1.3428 0.0536 0.1468 -0.0752 207 ARG C CD ? ? 1 +9922 N NE . ARG C 185 0.3839 1.3167 1.3674 0.0469 0.1581 -0.0755 207 ARG C NE ? ? 1 +9923 C CZ . ARG C 185 0.4195 1.3581 1.4081 0.0489 0.1674 -0.0787 207 ARG C CZ ? ? 1 +9924 N NH1 . ARG C 185 0.4292 1.3816 1.4316 0.0564 0.1674 -0.0829 207 ARG C NH1 ? ? 1 +9925 N NH2 . ARG C 185 0.4393 1.3694 1.4186 0.0433 0.1769 -0.0777 207 ARG C NH2 ? ? 1 +9926 C C . ARG C 185 0.2958 1.1620 1.2131 0.0546 0.1303 -0.0593 207 ARG C C ? ? 1 +9927 O O . ARG C 185 0.2852 1.1455 1.1970 0.0495 0.1256 -0.0562 207 ARG C O ? ? 1 +9928 N N . VAL C 186 0.2987 1.1534 1.2037 0.0577 0.1351 -0.0591 208 VAL C N ? ? 1 +9929 C CA . VAL C 186 0.2994 1.1336 1.1834 0.0556 0.1342 -0.0551 208 VAL C CA ? ? 1 +9930 C CB . VAL C 186 0.3131 1.1382 1.1864 0.0559 0.1435 -0.0557 208 VAL C CB ? ? 1 +9931 C CG1 . VAL C 186 0.3185 1.1225 1.1700 0.0548 0.1415 -0.0518 208 VAL C CG1 ? ? 1 +9932 C CG2 . VAL C 186 0.3191 1.1517 1.1988 0.0492 0.1531 -0.0572 208 VAL C CG2 ? ? 1 +9933 C C . VAL C 186 0.2915 1.1166 1.1676 0.0617 0.1248 -0.0531 208 VAL C C ? ? 1 +9934 O O . VAL C 186 0.2860 1.1005 1.1519 0.0588 0.1190 -0.0495 208 VAL C O ? ? 1 +9935 N N . ILE C 187 0.2877 1.1171 1.1686 0.0701 0.1236 -0.0556 209 ILE C N ? ? 1 +9936 C CA . ILE C 187 0.2854 1.1052 1.1580 0.0764 0.1156 -0.0540 209 ILE C CA ? ? 1 +9937 C CB . ILE C 187 0.2901 1.1145 1.1678 0.0859 0.1164 -0.0572 209 ILE C CB ? ? 1 +9938 C CG1 . ILE C 187 0.3001 1.1176 1.1696 0.0875 0.1253 -0.0587 209 ILE C CG1 ? ? 1 +9939 C CG2 . ILE C 187 0.2913 1.1067 1.1617 0.0923 0.1075 -0.0556 209 ILE C CG2 ? ? 1 +9940 C CD1 . ILE C 187 0.3055 1.1014 1.1531 0.0855 0.1255 -0.0554 209 ILE C CD1 ? ? 1 +9941 C C . ILE C 187 0.2734 1.0971 1.1511 0.0753 0.1062 -0.0522 209 ILE C C ? ? 1 +9942 O O . ILE C 187 0.2777 1.0885 1.1431 0.0740 0.1005 -0.0487 209 ILE C O ? ? 1 +9943 N N . PHE C 188 0.2605 1.1019 1.1561 0.0759 0.1047 -0.0547 210 PHE C N ? ? 1 +9944 C CA . PHE C 188 0.2500 1.0956 1.1506 0.0751 0.0960 -0.0533 210 PHE C CA ? ? 1 +9945 C CB . PHE C 188 0.2508 1.1157 1.1708 0.0796 0.0937 -0.0571 210 PHE C CB ? ? 1 +9946 C CG . PHE C 188 0.2634 1.1286 1.1843 0.0899 0.0918 -0.0591 210 PHE C CG ? ? 1 +9947 C CD2 . PHE C 188 0.2737 1.1471 1.2021 0.0940 0.0988 -0.0629 210 PHE C CD2 ? ? 1 +9948 C CD1 . PHE C 188 0.2665 1.1239 1.1807 0.0955 0.0833 -0.0572 210 PHE C CD1 ? ? 1 +9949 C CE2 . PHE C 188 0.2831 1.1565 1.2122 0.1038 0.0970 -0.0648 210 PHE C CE2 ? ? 1 +9950 C CE1 . PHE C 188 0.2766 1.1333 1.1909 0.1052 0.0817 -0.0589 210 PHE C CE1 ? ? 1 +9951 C CZ . PHE C 188 0.2841 1.1490 1.2060 0.1094 0.0884 -0.0628 210 PHE C CZ ? ? 1 +9952 C C . PHE C 188 0.2348 1.0784 1.1330 0.0657 0.0955 -0.0507 210 PHE C C ? ? 1 +9953 O O . PHE C 188 0.2241 1.0659 1.1212 0.0642 0.0881 -0.0484 210 PHE C O ? ? 1 +9954 N N . GLY C 189 0.2303 1.0732 1.1268 0.0594 0.1035 -0.0508 211 GLY C N ? ? 1 +9955 C CA . GLY C 189 0.2198 1.0587 1.1121 0.0506 0.1039 -0.0482 211 GLY C CA ? ? 1 +9956 C C . GLY C 189 0.2162 1.0369 1.0905 0.0491 0.0989 -0.0438 211 GLY C C ? ? 1 +9957 O O . GLY C 189 0.2130 1.0311 1.0849 0.0438 0.0953 -0.0413 211 GLY C O ? ? 1 +9958 N N . TYR C 190 0.2178 1.0259 1.0796 0.0538 0.0990 -0.0430 212 TYR C N ? ? 1 +9959 C CA . TYR C 190 0.2135 1.0048 1.0590 0.0534 0.0938 -0.0392 212 TYR C CA ? ? 1 +9960 C CB . TYR C 190 0.2206 1.0001 1.0544 0.0591 0.0953 -0.0393 212 TYR C CB ? ? 1 +9961 C CG . TYR C 190 0.2252 0.9949 1.0476 0.0561 0.1027 -0.0390 212 TYR C CG ? ? 1 +9962 C CD1 . TYR C 190 0.2243 0.9806 1.0326 0.0509 0.1018 -0.0357 212 TYR C CD1 ? ? 1 +9963 C CD2 . TYR C 190 0.2308 1.0043 1.0560 0.0589 0.1104 -0.0420 212 TYR C CD2 ? ? 1 +9964 C CE1 . TYR C 190 0.2315 0.9781 1.0284 0.0485 0.1083 -0.0354 212 TYR C CE1 ? ? 1 +9965 C CE2 . TYR C 190 0.2382 1.0018 1.0519 0.0564 0.1173 -0.0417 212 TYR C CE2 ? ? 1 +9966 C CZ . TYR C 190 0.2388 0.9888 1.0381 0.0513 0.1160 -0.0383 212 TYR C CZ ? ? 1 +9967 O OH . TYR C 190 0.2461 0.9858 1.0331 0.0492 0.1224 -0.0380 212 TYR C OH ? ? 1 +9968 C C . TYR C 190 0.2061 0.9984 1.0539 0.0551 0.0843 -0.0375 212 TYR C C ? ? 1 +9969 O O . TYR C 190 0.2020 0.9849 1.0407 0.0515 0.0799 -0.0342 212 TYR C O ? ? 1 +9970 N N . LEU C 191 0.2036 1.0070 1.0632 0.0610 0.0812 -0.0399 213 LEU C N ? ? 1 +9971 C CA . LEU C 191 0.1979 1.0025 1.0599 0.0636 0.0722 -0.0386 213 LEU C CA ? ? 1 +9972 C CB . LEU C 191 0.2031 1.0185 1.0764 0.0717 0.0698 -0.0417 213 LEU C CB ? ? 1 +9973 C CG . LEU C 191 0.2139 1.0191 1.0783 0.0796 0.0672 -0.0414 213 LEU C CG ? ? 1 +9974 C CD1 . LEU C 191 0.2134 1.0056 1.0661 0.0797 0.0596 -0.0376 213 LEU C CD1 ? ? 1 +9975 C CD2 . LEU C 191 0.2251 1.0206 1.0794 0.0801 0.0738 -0.0417 213 LEU C CD2 ? ? 1 +9976 C C . LEU C 191 0.1859 0.9977 1.0547 0.0575 0.0691 -0.0376 213 LEU C C ? ? 1 +9977 O O . LEU C 191 0.1809 0.9891 1.0469 0.0578 0.0619 -0.0354 213 LEU C O ? ? 1 +9978 N N . LEU C 192 0.1818 1.0037 1.0599 0.0521 0.0746 -0.0393 214 LEU C N ? ? 1 +9979 C CA . LEU C 192 0.1723 1.0015 1.0575 0.0461 0.0720 -0.0387 214 LEU C CA ? ? 1 +9980 C CB . LEU C 192 0.1691 1.0168 1.0723 0.0449 0.0761 -0.0427 214 LEU C CB ? ? 1 +9981 C CG . LEU C 192 0.1700 1.0300 1.0857 0.0528 0.0740 -0.0463 214 LEU C CG ? ? 1 +9982 C CD1 . LEU C 192 0.1675 1.0463 1.1015 0.0507 0.0783 -0.0504 214 LEU C CD1 ? ? 1 +9983 C CD2 . LEU C 192 0.1655 1.0255 1.0817 0.0573 0.0642 -0.0451 214 LEU C CD2 ? ? 1 +9984 C C . LEU C 192 0.1697 0.9888 1.0444 0.0382 0.0742 -0.0356 214 LEU C C ? ? 1 +9985 O O . LEU C 192 0.1655 0.9891 1.0446 0.0328 0.0726 -0.0349 214 LEU C O ? ? 1 +9986 N N . LYS C 193 0.1749 0.9801 1.0354 0.0377 0.0775 -0.0338 215 LYS C N ? ? 1 +9987 C CA . LYS C 193 0.1751 0.9694 1.0242 0.0311 0.0786 -0.0307 215 LYS C CA ? ? 1 +9988 C CB . LYS C 193 0.1884 0.9688 1.0229 0.0313 0.0832 -0.0296 215 LYS C CB ? ? 1 +9989 C CG . LYS C 193 0.1983 0.9820 1.0348 0.0291 0.0926 -0.0317 215 LYS C CG ? ? 1 +9990 C CD . LYS C 193 0.2117 0.9815 1.0334 0.0310 0.0966 -0.0310 215 LYS C CD ? ? 1 +9991 C CE . LYS C 193 0.2169 0.9745 1.0252 0.0250 0.0987 -0.0282 215 LYS C CE ? ? 1 +9992 N NZ . LYS C 193 0.2310 0.9785 1.0278 0.0267 0.1044 -0.0286 215 LYS C NZ ? ? 1 +9993 C C . LYS C 193 0.1643 0.9511 1.0066 0.0301 0.0704 -0.0274 215 LYS C C ? ? 1 +9994 O O . LYS C 193 0.1620 0.9446 1.0010 0.0353 0.0649 -0.0267 215 LYS C O ? ? 1 +9995 N N . SER C 194 0.1575 0.9422 0.9975 0.0235 0.0699 -0.0255 216 SER C N ? ? 1 +9996 C CA . SER C 194 0.1529 0.9290 0.9847 0.0219 0.0633 -0.0221 216 SER C CA ? ? 1 +9997 C CB . SER C 194 0.1500 0.9248 0.9800 0.0143 0.0645 -0.0204 216 SER C CB ? ? 1 +9998 O OG . SER C 194 0.1473 0.9116 0.9670 0.0127 0.0591 -0.0170 216 SER C OG ? ? 1 +9999 C C . SER C 194 0.1560 0.9165 0.9724 0.0243 0.0617 -0.0199 216 SER C C ? ? 1 +10000 O O . SER C 194 0.1631 0.9166 0.9717 0.0241 0.0669 -0.0200 216 SER C O ? ? 1 +10001 N N A PRO C 195 0.1521 0.9068 0.9637 0.0267 0.0547 -0.0178 217 PRO C N ? ? 1 +10002 N N B PRO C 195 0.1524 0.9071 0.9640 0.0268 0.0547 -0.0179 217 PRO C N ? ? 1 +10003 C CA A PRO C 195 0.1565 0.8963 0.9537 0.0283 0.0529 -0.0157 217 PRO C CA ? ? 1 +10004 C CA B PRO C 195 0.1571 0.8970 0.9543 0.0283 0.0529 -0.0157 217 PRO C CA ? ? 1 +10005 C C A PRO C 195 0.1548 0.8847 0.9414 0.0226 0.0521 -0.0128 217 PRO C C ? ? 1 +10006 C C B PRO C 195 0.1559 0.8857 0.9425 0.0226 0.0522 -0.0128 217 PRO C C ? ? 1 +10007 O O A PRO C 195 0.1565 0.8750 0.9323 0.0234 0.0490 -0.0108 217 PRO C O ? ? 1 +10008 O O B PRO C 195 0.1586 0.8770 0.9343 0.0234 0.0492 -0.0109 217 PRO C O ? ? 1 +10009 C CB A PRO C 195 0.1546 0.8939 0.9529 0.0332 0.0459 -0.0151 217 PRO C CB ? ? 1 +10010 C CB B PRO C 195 0.1551 0.8945 0.9534 0.0331 0.0459 -0.0151 217 PRO C CB ? ? 1 +10011 C CG A PRO C 195 0.1465 0.8971 0.9559 0.0314 0.0426 -0.0153 217 PRO C CG ? ? 1 +10012 C CG B PRO C 195 0.1470 0.8974 0.9562 0.0312 0.0426 -0.0153 217 PRO C CG ? ? 1 +10013 C CD A PRO C 195 0.1452 0.9072 0.9648 0.0284 0.0483 -0.0178 217 PRO C CD ? ? 1 +10014 C CD B PRO C 195 0.1455 0.9074 0.9651 0.0284 0.0483 -0.0178 217 PRO C CD ? ? 1 +10015 N N A PHE C 196 0.1510 0.8852 0.9410 0.0170 0.0549 -0.0126 218 PHE C N ? ? 1 +10016 N N B PHE C 196 0.1521 0.8863 0.9421 0.0170 0.0549 -0.0126 218 PHE C N ? ? 1 +10017 C CA A PHE C 196 0.1495 0.8753 0.9304 0.0118 0.0542 -0.0099 218 PHE C CA ? ? 1 +10018 C CA B PHE C 196 0.1505 0.8763 0.9314 0.0118 0.0541 -0.0099 218 PHE C CA ? ? 1 +10019 C C A PHE C 196 0.1560 0.8748 0.9284 0.0093 0.0605 -0.0099 218 PHE C C ? ? 1 +10020 C C B PHE C 196 0.1567 0.8755 0.9291 0.0093 0.0604 -0.0099 218 PHE C C ? ? 1 +10021 O O A PHE C 196 0.1613 0.8817 0.9348 0.0115 0.0657 -0.0120 218 PHE C O ? ? 1 +10022 O O B PHE C 196 0.1618 0.8825 0.9355 0.0115 0.0657 -0.0120 218 PHE C O ? ? 1 +10023 C CB A PHE C 196 0.1425 0.8758 0.9308 0.0071 0.0527 -0.0093 218 PHE C CB ? ? 1 +10024 C CB B PHE C 196 0.1435 0.8769 0.9320 0.0072 0.0525 -0.0093 218 PHE C CB ? ? 1 +10025 C CG A PHE C 196 0.1369 0.8733 0.9294 0.0086 0.0454 -0.0083 218 PHE C CG ? ? 1 +10026 C CG B PHE C 196 0.1389 0.8750 0.9312 0.0090 0.0453 -0.0083 218 PHE C CG ? ? 1 +10027 C CD1 A PHE C 196 0.1361 0.8631 0.9197 0.0079 0.0404 -0.0055 218 PHE C CD1 ? ? 1 +10028 C CD1 B PHE C 196 0.1388 0.8656 0.9222 0.0081 0.0403 -0.0055 218 PHE C CD1 ? ? 1 +10029 C CD2 A PHE C 196 0.1338 0.8824 0.9390 0.0107 0.0437 -0.0103 218 PHE C CD2 ? ? 1 +10030 C CD2 B PHE C 196 0.1369 0.8848 0.9415 0.0117 0.0434 -0.0103 218 PHE C CD2 ? ? 1 +10031 C CE1 A PHE C 196 0.1310 0.8603 0.9178 0.0093 0.0342 -0.0045 218 PHE C CE1 ? ? 1 +10032 C CE1 B PHE C 196 0.1344 0.8632 0.9207 0.0097 0.0340 -0.0045 218 PHE C CE1 ? ? 1 +10033 C CE2 A PHE C 196 0.1294 0.8800 0.9374 0.0123 0.0371 -0.0093 218 PHE C CE2 ? ? 1 +10034 C CE2 B PHE C 196 0.1332 0.8828 0.9403 0.0135 0.0367 -0.0093 218 PHE C CE2 ? ? 1 +10035 C CZ A PHE C 196 0.1280 0.8687 0.9265 0.0115 0.0325 -0.0064 218 PHE C CZ ? ? 1 +10036 C CZ B PHE C 196 0.1320 0.8718 0.9297 0.0125 0.0322 -0.0064 218 PHE C CZ ? ? 1 +10037 N N A GLY C 197 0.1554 0.8660 0.9189 0.0049 0.0599 -0.0075 219 GLY C N ? ? 1 +10038 N N B GLY C 197 0.1563 0.8665 0.9193 0.0051 0.0597 -0.0075 219 GLY C N ? ? 1 +10039 C CA A GLY C 197 0.1626 0.8641 0.9153 0.0028 0.0648 -0.0071 219 GLY C CA ? ? 1 +10040 C CA B GLY C 197 0.1633 0.8646 0.9158 0.0029 0.0647 -0.0071 219 GLY C CA ? ? 1 +10041 C C A GLY C 197 0.1657 0.8734 0.9235 0.0011 0.0727 -0.0092 219 GLY C C ? ? 1 +10042 C C B GLY C 197 0.1662 0.8737 0.9239 0.0011 0.0725 -0.0091 219 GLY C C ? ? 1 +10043 O O A GLY C 197 0.1613 0.8790 0.9296 -0.0016 0.0742 -0.0101 219 GLY C O ? ? 1 +10044 O O B GLY C 197 0.1616 0.8794 0.9300 -0.0015 0.0740 -0.0100 219 GLY C O ? ? 1 +10045 N N A GLY C 198 0.1743 0.8755 0.9243 0.0025 0.0777 -0.0100 220 GLY C N ? ? 1 +10046 N N B GLY C 198 0.1746 0.8757 0.9245 0.0025 0.0776 -0.0099 220 GLY C N ? ? 1 +10047 C CA A GLY C 198 0.1796 0.8848 0.9325 0.0008 0.0859 -0.0118 220 GLY C CA ? ? 1 +10048 C CA B GLY C 198 0.1798 0.8850 0.9327 0.0007 0.0859 -0.0118 220 GLY C CA ? ? 1 +10049 C C A GLY C 198 0.1786 0.8960 0.9445 0.0044 0.0888 -0.0150 220 GLY C C ? ? 1 +10050 C C B GLY C 198 0.1786 0.8959 0.9445 0.0044 0.0888 -0.0150 220 GLY C C ? ? 1 +10051 O O A GLY C 198 0.1833 0.9050 0.9528 0.0034 0.0961 -0.0169 220 GLY C O ? ? 1 +10052 O O B GLY C 198 0.1833 0.9049 0.9527 0.0033 0.0960 -0.0169 220 GLY C O ? ? 1 +10053 N N . GLU C 199 0.1734 0.8959 0.9461 0.0087 0.0832 -0.0156 221 GLU C N ? ? 1 +10054 C CA . GLU C 199 0.1729 0.9071 0.9580 0.0130 0.0846 -0.0186 221 GLU C CA ? ? 1 +10055 C CB . GLU C 199 0.1654 0.9120 0.9642 0.0120 0.0803 -0.0191 221 GLU C CB ? ? 1 +10056 C CG . GLU C 199 0.1647 0.9174 0.9693 0.0055 0.0835 -0.0191 221 GLU C CG ? ? 1 +10057 C CD . GLU C 199 0.1703 0.9329 0.9844 0.0044 0.0914 -0.0222 221 GLU C CD ? ? 1 +10058 O OE1 . GLU C 199 0.1723 0.9437 0.9956 0.0092 0.0924 -0.0249 221 GLU C OE1 ? ? 1 +10059 O OE2 . GLU C 199 0.1763 0.9380 0.9889 -0.0012 0.0969 -0.0219 221 GLU C OE2 ? ? 1 +10060 C C . GLU C 199 0.1748 0.9037 0.9553 0.0196 0.0816 -0.0191 221 GLU C C ? ? 1 +10061 O O . GLU C 199 0.1823 0.9099 0.9609 0.0229 0.0863 -0.0209 221 GLU C O ? ? 1 +10062 N N . GLY C 200 0.1691 0.8947 0.9477 0.0216 0.0740 -0.0174 222 GLY C N ? ? 1 +10063 C CA . GLY C 200 0.1721 0.8887 0.9426 0.0268 0.0706 -0.0170 222 GLY C CA ? ? 1 +10064 C C . GLY C 200 0.1717 0.8950 0.9502 0.0335 0.0696 -0.0194 222 GLY C C ? ? 1 +10065 O O . GLY C 200 0.1758 0.8911 0.9472 0.0381 0.0677 -0.0194 222 GLY C O ? ? 1 +10066 N N . TRP C 201 0.1658 0.9037 0.9590 0.0341 0.0707 -0.0215 223 TRP C N ? ? 1 +10067 C CA . TRP C 201 0.1652 0.9113 0.9676 0.0407 0.0696 -0.0240 223 TRP C CA ? ? 1 +10068 C CB . TRP C 201 0.1621 0.9062 0.9642 0.0438 0.0610 -0.0224 223 TRP C CB ? ? 1 +10069 C CG . TRP C 201 0.1627 0.9166 0.9756 0.0502 0.0587 -0.0247 223 TRP C CG ? ? 1 +10070 C CD1 . TRP C 201 0.1596 0.9289 0.9873 0.0512 0.0609 -0.0276 223 TRP C CD1 ? ? 1 +10071 N NE1 . TRP C 201 0.1605 0.9349 0.9943 0.0582 0.0572 -0.0292 223 TRP C NE1 ? ? 1 +10072 C CE2 . TRP C 201 0.1653 0.9269 0.9877 0.0618 0.0529 -0.0272 223 TRP C CE2 ? ? 1 +10073 C CZ2 . TRP C 201 0.1691 0.9290 0.9913 0.0690 0.0482 -0.0276 223 TRP C CZ2 ? ? 1 +10074 C CH2 . TRP C 201 0.1743 0.9189 0.9828 0.0705 0.0446 -0.0251 223 TRP C CH2 ? ? 1 +10075 C CZ3 . TRP C 201 0.1748 0.9072 0.9711 0.0651 0.0454 -0.0225 223 TRP C CZ3 ? ? 1 +10076 C CE3 . TRP C 201 0.1716 0.9060 0.9681 0.0584 0.0496 -0.0221 223 TRP C CE3 ? ? 1 +10077 C CD2 . TRP C 201 0.1670 0.9158 0.9764 0.0566 0.0536 -0.0244 223 TRP C CD2 ? ? 1 +10078 C C . TRP C 201 0.1723 0.9133 0.9693 0.0453 0.0744 -0.0258 223 TRP C C ? ? 1 +10079 O O . TRP C 201 0.1766 0.9159 0.9704 0.0428 0.0811 -0.0266 223 TRP C O ? ? 1 +10080 N N . ILE C 202 0.1748 0.9126 0.9701 0.0520 0.0713 -0.0265 224 ILE C N ? ? 1 +10081 C CA . ILE C 202 0.1843 0.9170 0.9743 0.0567 0.0756 -0.0284 224 ILE C CA ? ? 1 +10082 C CB . ILE C 202 0.1873 0.9223 0.9815 0.0648 0.0720 -0.0299 224 ILE C CB ? ? 1 +10083 C CG1 . ILE C 202 0.1878 0.9111 0.9723 0.0668 0.0646 -0.0274 224 ILE C CG1 ? ? 1 +10084 C CG2 . ILE C 202 0.1810 0.9331 0.9924 0.0668 0.0705 -0.0319 224 ILE C CG2 ? ? 1 +10085 C CD1 . ILE C 202 0.1935 0.9162 0.9793 0.0754 0.0623 -0.0290 224 ILE C CD1 ? ? 1 +10086 C C . ILE C 202 0.1910 0.9067 0.9637 0.0552 0.0764 -0.0265 224 ILE C C ? ? 1 +10087 O O . ILE C 202 0.1997 0.9102 0.9665 0.0577 0.0813 -0.0280 224 ILE C O ? ? 1 +10088 N N . VAL C 203 0.1861 0.8934 0.9508 0.0511 0.0716 -0.0234 225 VAL C N ? ? 1 +10089 C CA . VAL C 203 0.1918 0.8837 0.9407 0.0492 0.0717 -0.0218 225 VAL C CA ? ? 1 +10090 C CB . VAL C 203 0.1870 0.8718 0.9296 0.0454 0.0651 -0.0185 225 VAL C CB ? ? 1 +10091 C CG1 . VAL C 203 0.1933 0.8626 0.9200 0.0435 0.0648 -0.0170 225 VAL C CG1 ? ? 1 +10092 C CG2 . VAL C 203 0.1837 0.8697 0.9301 0.0492 0.0583 -0.0178 225 VAL C CG2 ? ? 1 +10093 C C . VAL C 203 0.1956 0.8857 0.9401 0.0454 0.0789 -0.0223 225 VAL C C ? ? 1 +10094 O O . VAL C 203 0.2037 0.8819 0.9354 0.0453 0.0808 -0.0220 225 VAL C O ? ? 1 +10095 N N . SER C 204 0.1904 0.8920 0.9451 0.0421 0.0831 -0.0232 226 SER C N ? ? 1 +10096 C CA . SER C 204 0.1948 0.8950 0.9457 0.0381 0.0904 -0.0236 226 SER C CA ? ? 1 +10097 C CB . SER C 204 0.1875 0.8997 0.9499 0.0330 0.0925 -0.0236 226 SER C CB ? ? 1 +10098 O OG . SER C 204 0.1842 0.9114 0.9623 0.0358 0.0939 -0.0263 226 SER C OG ? ? 1 +10099 C C . SER C 204 0.2035 0.9041 0.9536 0.0416 0.0978 -0.0264 226 SER C C ? ? 1 +10100 O O . SER C 204 0.2093 0.9072 0.9546 0.0384 0.1042 -0.0266 226 SER C O ? ? 1 +10101 N N . VAL C 205 0.2055 0.9086 0.9595 0.0483 0.0971 -0.0285 227 VAL C N ? ? 1 +10102 C CA . VAL C 205 0.2143 0.9181 0.9679 0.0520 0.1042 -0.0313 227 VAL C CA ? ? 1 +10103 C CB . VAL C 205 0.2165 0.9240 0.9756 0.0600 0.1023 -0.0336 227 VAL C CB ? ? 1 +10104 C CG1 . VAL C 205 0.2196 0.9137 0.9672 0.0633 0.0957 -0.0320 227 VAL C CG1 ? ? 1 +10105 C CG2 . VAL C 205 0.2257 0.9361 0.9865 0.0638 0.1105 -0.0369 227 VAL C CG2 ? ? 1 +10106 C C . VAL C 205 0.2245 0.9130 0.9609 0.0509 0.1076 -0.0306 227 VAL C C ? ? 1 +10107 O O . VAL C 205 0.2281 0.9040 0.9526 0.0522 0.1029 -0.0291 227 VAL C O ? ? 1 +10108 N N . ASN C 206 0.2299 0.9195 0.9651 0.0485 0.1158 -0.0317 228 ASN C N ? ? 1 +10109 C CA . ASN C 206 0.2391 0.9150 0.9581 0.0460 0.1194 -0.0307 228 ASN C CA ? ? 1 +10110 C CB . ASN C 206 0.2353 0.9126 0.9541 0.0387 0.1214 -0.0289 228 ASN C CB ? ? 1 +10111 C CG . ASN C 206 0.2335 0.9241 0.9650 0.0362 0.1287 -0.0306 228 ASN C CG ? ? 1 +10112 O OD1 . ASN C 206 0.2355 0.9359 0.9772 0.0399 0.1330 -0.0335 228 ASN C OD1 ? ? 1 +10113 N ND2 . ASN C 206 0.2308 0.9221 0.9620 0.0299 0.1306 -0.0290 228 ASN C ND2 ? ? 1 +10114 C C . ASN C 206 0.2516 0.9245 0.9657 0.0492 0.1275 -0.0333 228 ASN C C ? ? 1 +10115 O O . ASN C 206 0.2596 0.9233 0.9620 0.0465 0.1323 -0.0328 228 ASN C O ? ? 1 +10116 N N . ASN C 207 0.2541 0.9342 0.9767 0.0552 0.1292 -0.0361 229 ASN C N ? ? 1 +10117 C CA . ASN C 207 0.2665 0.9446 0.9854 0.0588 0.1371 -0.0388 229 ASN C CA ? ? 1 +10118 C CB . ASN C 207 0.2673 0.9560 0.9948 0.0554 0.1462 -0.0403 229 ASN C CB ? ? 1 +10119 C CG . ASN C 207 0.2584 0.9660 1.0066 0.0565 0.1467 -0.0423 229 ASN C CG ? ? 1 +10120 O OD1 . ASN C 207 0.2611 0.9769 1.0180 0.0619 0.1500 -0.0454 229 ASN C OD1 ? ? 1 +10121 N ND2 . ASN C 207 0.2480 0.9631 1.0045 0.0515 0.1434 -0.0407 229 ASN C ND2 ? ? 1 +10122 C C . ASN C 207 0.2685 0.9508 0.9937 0.0667 0.1354 -0.0413 229 ASN C C ? ? 1 +10123 O O . ASN C 207 0.2601 0.9519 0.9971 0.0688 0.1302 -0.0415 229 ASN C O ? ? 1 +10124 N N . LEU C 208 0.2814 0.9559 0.9978 0.0713 0.1398 -0.0432 230 LEU C N ? ? 1 +10125 C CA . LEU C 208 0.2860 0.9609 1.0049 0.0792 0.1378 -0.0453 230 LEU C CA ? ? 1 +10126 C CB . LEU C 208 0.3009 0.9599 1.0028 0.0826 0.1403 -0.0462 230 LEU C CB ? ? 1 +10127 C CG . LEU C 208 0.3042 0.9455 0.9884 0.0798 0.1344 -0.0434 230 LEU C CG ? ? 1 +10128 C CD1 . LEU C 208 0.3189 0.9454 0.9878 0.0843 0.1359 -0.0448 230 LEU C CD1 ? ? 1 +10129 C CD2 . LEU C 208 0.2945 0.9357 0.9818 0.0798 0.1247 -0.0413 230 LEU C CD2 ? ? 1 +10130 C C . LEU C 208 0.2846 0.9769 1.0212 0.0831 0.1425 -0.0486 230 LEU C C ? ? 1 +10131 O O . LEU C 208 0.2840 0.9809 1.0276 0.0892 0.1389 -0.0500 230 LEU C O ? ? 1 +10132 N N . GLU C 209 0.2850 0.9868 1.0290 0.0794 0.1504 -0.0498 231 GLU C N ? ? 1 +10133 C CA . GLU C 209 0.2826 1.0025 1.0451 0.0824 0.1549 -0.0531 231 GLU C CA ? ? 1 +10134 C CB . GLU C 209 0.2840 1.0118 1.0520 0.0770 0.1646 -0.0542 231 GLU C CB ? ? 1 +10135 C CG . GLU C 209 0.2983 1.0178 1.0554 0.0784 0.1737 -0.0558 231 GLU C CG ? ? 1 +10136 C CD . GLU C 209 0.3070 1.0067 1.0423 0.0752 0.1737 -0.0532 231 GLU C CD ? ? 1 +10137 O OE1 . GLU C 209 0.3009 0.9943 1.0301 0.0700 0.1680 -0.0498 231 GLU C OE1 ? ? 1 +10138 O OE2 . GLU C 209 0.3197 1.0102 1.0440 0.0782 0.1793 -0.0546 231 GLU C OE2 ? ? 1 +10139 C C . GLU C 209 0.2700 1.0028 1.0480 0.0829 0.1476 -0.0528 231 GLU C C ? ? 1 +10140 O O . GLU C 209 0.2676 1.0111 1.0577 0.0889 0.1467 -0.0554 231 GLU C O ? ? 1 +10141 N N . ASP C 210 0.2617 0.9934 1.0390 0.0767 0.1425 -0.0497 232 ASP C N ? ? 1 +10142 C CA . ASP C 210 0.2501 0.9920 1.0397 0.0766 0.1349 -0.0490 232 ASP C CA ? ? 1 +10143 C CB . ASP C 210 0.2414 0.9824 1.0297 0.0682 0.1320 -0.0458 232 ASP C CB ? ? 1 +10144 C CG . ASP C 210 0.2391 0.9910 1.0368 0.0621 0.1391 -0.0468 232 ASP C CG ? ? 1 +10145 O OD1 . ASP C 210 0.2439 1.0054 1.0503 0.0641 0.1467 -0.0501 232 ASP C OD1 ? ? 1 +10146 O OD2 . ASP C 210 0.2325 0.9838 1.0294 0.0554 0.1373 -0.0444 232 ASP C OD2 ? ? 1 +10147 C C . ASP C 210 0.2505 0.9854 1.0354 0.0827 0.1266 -0.0482 232 ASP C C ? ? 1 +10148 O O . ASP C 210 0.2446 0.9896 1.0415 0.0869 0.1222 -0.0494 232 ASP C O ? ? 1 +10149 N N . VAL C 211 0.2580 0.9750 1.0253 0.0833 0.1243 -0.0464 233 VAL C N ? ? 1 +10150 C CA . VAL C 211 0.2603 0.9688 1.0216 0.0890 0.1173 -0.0458 233 VAL C CA ? ? 1 +10151 C CB . VAL C 211 0.2678 0.9563 1.0090 0.0879 0.1155 -0.0438 233 VAL C CB ? ? 1 +10152 C CG1 . VAL C 211 0.2723 0.9518 1.0074 0.0944 0.1096 -0.0438 233 VAL C CG1 ? ? 1 +10153 C CG2 . VAL C 211 0.2616 0.9442 0.9963 0.0802 0.1117 -0.0402 233 VAL C CG2 ? ? 1 +10154 C C . VAL C 211 0.2668 0.9814 1.0351 0.0976 0.1195 -0.0493 233 VAL C C ? ? 1 +10155 O O . VAL C 211 0.2631 0.9841 1.0399 0.1023 0.1142 -0.0498 233 VAL C O ? ? 1 +10156 N N . VAL C 212 0.2775 0.9896 1.0416 0.0999 0.1273 -0.0516 234 VAL C N ? ? 1 +10157 C CA . VAL C 212 0.2852 1.0015 1.0543 0.1084 0.1299 -0.0550 234 VAL C CA ? ? 1 +10158 C CB . VAL C 212 0.2983 1.0085 1.0590 0.1096 0.1390 -0.0571 234 VAL C CB ? ? 1 +10159 C CG1 . VAL C 212 0.3054 1.0221 1.0732 0.1185 0.1427 -0.0610 234 VAL C CG1 ? ? 1 +10160 C CG2 . VAL C 212 0.3075 0.9964 1.0466 0.1082 0.1375 -0.0550 234 VAL C CG2 ? ? 1 +10161 C C . VAL C 212 0.2775 1.0146 1.0678 0.1108 0.1304 -0.0574 234 VAL C C ? ? 1 +10162 O O . VAL C 212 0.2788 1.0207 1.0757 0.1181 0.1270 -0.0591 234 VAL C O ? ? 1 +10163 N N . GLY C 213 0.2704 1.0196 1.0710 0.1046 0.1345 -0.0577 235 GLY C N ? ? 1 +10164 C CA . GLY C 213 0.2625 1.0322 1.0839 0.1058 0.1349 -0.0601 235 GLY C CA ? ? 1 +10165 C C . GLY C 213 0.2525 1.0272 1.0810 0.1077 0.1249 -0.0588 235 GLY C C ? ? 1 +10166 O O . GLY C 213 0.2498 1.0373 1.0921 0.1133 0.1229 -0.0612 235 GLY C O ? ? 1 +10167 N N . GLY C 214 0.2476 1.0116 1.0662 0.1031 0.1187 -0.0549 236 GLY C N ? ? 1 +10168 C CA . GLY C 214 0.2393 1.0048 1.0615 0.1044 0.1092 -0.0532 236 GLY C CA ? ? 1 +10169 C C . GLY C 214 0.2447 1.0050 1.0639 0.1136 0.1044 -0.0539 236 GLY C C ? ? 1 +10170 O O . GLY C 214 0.2392 1.0071 1.0674 0.1173 0.0984 -0.0542 236 GLY C O ? ? 1 +10171 N N . HIS C 215 0.2565 1.0033 1.0626 0.1173 0.1071 -0.0544 237 HIS C N ? ? 1 +10172 C CA . HIS C 215 0.2652 1.0053 1.0669 0.1261 0.1031 -0.0551 237 HIS C CA ? ? 1 +10173 C CB . HIS C 215 0.2757 0.9954 1.0577 0.1265 0.1040 -0.0539 237 HIS C CB ? ? 1 +10174 C CG . HIS C 215 0.2722 0.9790 1.0422 0.1206 0.0983 -0.0498 237 HIS C CG ? ? 1 +10175 N ND1 . HIS C 215 0.2693 0.9721 1.0334 0.1123 0.1009 -0.0480 237 HIS C ND1 ? ? 1 +10176 C CE1 . HIS C 215 0.2667 0.9589 1.0216 0.1089 0.0944 -0.0447 237 HIS C CE1 ? ? 1 +10177 N NE2 . HIS C 215 0.2673 0.9563 1.0219 0.1143 0.0880 -0.0443 237 HIS C NE2 ? ? 1 +10178 C CD2 . HIS C 215 0.2708 0.9688 1.0348 0.1218 0.0902 -0.0474 237 HIS C CD2 ? ? 1 +10179 C C . HIS C 215 0.2714 1.0247 1.0862 0.1341 0.1066 -0.0594 237 HIS C C ? ? 1 +10180 O O . HIS C 215 0.2739 1.0277 1.0911 0.1417 0.1018 -0.0602 237 HIS C O ? ? 1 +10181 N N . ILE C 216 0.2745 1.0388 1.0979 0.1324 0.1150 -0.0621 238 ILE C N ? ? 1 +10182 C CA . ILE C 216 0.2788 1.0589 1.1176 0.1392 0.1184 -0.0663 238 ILE C CA ? ? 1 +10183 C CB . ILE C 216 0.2811 1.0705 1.1266 0.1361 0.1290 -0.0690 238 ILE C CB ? ? 1 +10184 C CG1 . ILE C 216 0.2940 1.0679 1.1231 0.1374 0.1353 -0.0693 238 ILE C CG1 ? ? 1 +10185 C CG2 . ILE C 216 0.2801 1.0903 1.1459 0.1416 0.1321 -0.0735 238 ILE C CG2 ? ? 1 +10186 C CD1 . ILE C 216 0.2966 1.0730 1.1255 0.1314 0.1452 -0.0703 238 ILE C CD1 ? ? 1 +10187 C C . ILE C 216 0.2713 1.0666 1.1260 0.1405 0.1118 -0.0666 238 ILE C C ? ? 1 +10188 O O . ILE C 216 0.2731 1.0735 1.1342 0.1488 0.1081 -0.0685 238 ILE C O ? ? 1 +10189 N N . TRP C 217 0.2645 1.0659 1.1245 0.1324 0.1100 -0.0648 239 TRP C N ? ? 1 +10190 C CA . TRP C 217 0.2578 1.0737 1.1327 0.1326 0.1038 -0.0651 239 TRP C CA ? ? 1 +10191 C CB . TRP C 217 0.2503 1.0723 1.1301 0.1225 0.1040 -0.0633 239 TRP C CB ? ? 1 +10192 C CG . TRP C 217 0.2521 1.0909 1.1468 0.1189 0.1118 -0.0665 239 TRP C CG ? ? 1 +10193 C CD1 . TRP C 217 0.2570 1.0937 1.1481 0.1126 0.1204 -0.0666 239 TRP C CD1 ? ? 1 +10194 N NE1 . TRP C 217 0.2551 1.1103 1.1635 0.1107 0.1263 -0.0701 239 TRP C NE1 ? ? 1 +10195 C CE2 . TRP C 217 0.2505 1.1209 1.1748 0.1158 0.1212 -0.0725 239 TRP C CE2 ? ? 1 +10196 C CZ2 . TRP C 217 0.2469 1.1390 1.1923 0.1161 0.1239 -0.0765 239 TRP C CZ2 ? ? 1 +10197 C CH2 . TRP C 217 0.2433 1.1471 1.2010 0.1223 0.1167 -0.0783 239 TRP C CH2 ? ? 1 +10198 C CZ3 . TRP C 217 0.2445 1.1382 1.1935 0.1282 0.1074 -0.0760 239 TRP C CZ3 ? ? 1 +10199 C CE3 . TRP C 217 0.2487 1.1206 1.1769 0.1275 0.1051 -0.0719 239 TRP C CE3 ? ? 1 +10200 C CD2 . TRP C 217 0.2506 1.1109 1.1664 0.1212 0.1120 -0.0702 239 TRP C CD2 ? ? 1 +10201 C C . TRP C 217 0.2585 1.0662 1.1276 0.1379 0.0940 -0.0630 239 TRP C C ? ? 1 +10202 O O . TRP C 217 0.2575 1.0753 1.1372 0.1446 0.0899 -0.0650 239 TRP C O ? ? 1 +10203 N N . ILE C 218 0.2614 1.0507 1.1133 0.1349 0.0904 -0.0591 240 ILE C N ? ? 1 +10204 C CA . ILE C 218 0.2636 1.0427 1.1077 0.1390 0.0817 -0.0568 240 ILE C CA ? ? 1 +10205 C CB . ILE C 218 0.2666 1.0264 1.0924 0.1333 0.0794 -0.0526 240 ILE C CB ? ? 1 +10206 C CG1 . ILE C 218 0.2556 1.0191 1.0842 0.1246 0.0764 -0.0499 240 ILE C CG1 ? ? 1 +10207 C CG2 . ILE C 218 0.2742 1.0186 1.0877 0.1388 0.0728 -0.0507 240 ILE C CG2 ? ? 1 +10208 C CD1 . ILE C 218 0.2480 1.0207 1.0865 0.1265 0.0687 -0.0493 240 ILE C CD1 ? ? 1 +10209 C C . ILE C 218 0.2741 1.0496 1.1162 0.1497 0.0808 -0.0589 240 ILE C C ? ? 1 +10210 O O . ILE C 218 0.2740 1.0510 1.1191 0.1555 0.0740 -0.0587 240 ILE C O ? ? 1 +10211 N N . GLY C 219 0.2850 1.0548 1.1211 0.1524 0.0875 -0.0608 241 GLY C N ? ? 1 +10212 C CA . GLY C 219 0.2980 1.0652 1.1329 0.1627 0.0878 -0.0633 241 GLY C CA ? ? 1 +10213 C C . GLY C 219 0.2980 1.0843 1.1516 0.1698 0.0865 -0.0668 241 GLY C C ? ? 1 +10214 O O . GLY C 219 0.3029 1.0870 1.1561 0.1780 0.0810 -0.0671 241 GLY C O ? ? 1 +10215 N N . LEU C 220 0.2942 1.0990 1.1637 0.1667 0.0917 -0.0695 242 LEU C N ? ? 1 +10216 C CA . LEU C 220 0.2937 1.1186 1.1826 0.1728 0.0910 -0.0733 242 LEU C CA ? ? 1 +10217 C CB . LEU C 220 0.2900 1.1336 1.1950 0.1676 0.0986 -0.0763 242 LEU C CB ? ? 1 +10218 C CG . LEU C 220 0.2997 1.1416 1.2017 0.1662 0.1092 -0.0783 242 LEU C CG ? ? 1 +10219 C CD1 . LEU C 220 0.2938 1.1565 1.2143 0.1614 0.1159 -0.0814 242 LEU C CD1 ? ? 1 +10220 C CD2 . LEU C 220 0.3129 1.1504 1.2113 0.1767 0.1116 -0.0810 242 LEU C CD2 ? ? 1 +10221 C C . LEU C 220 0.2845 1.1152 1.1798 0.1735 0.0814 -0.0718 242 LEU C C ? ? 1 +10222 O O . LEU C 220 0.2846 1.1220 1.1873 0.1820 0.0767 -0.0736 242 LEU C O ? ? 1 +10223 N N . ILE C 221 0.2748 1.1029 1.1672 0.1646 0.0785 -0.0685 243 ILE C N ? ? 1 +10224 C CA . ILE C 221 0.2666 1.1002 1.1647 0.1643 0.0699 -0.0670 243 ILE C CA ? ? 1 +10225 C CB . ILE C 221 0.2601 1.0923 1.1560 0.1531 0.0693 -0.0639 243 ILE C CB ? ? 1 +10226 C CG1 . ILE C 221 0.2546 1.1042 1.1656 0.1468 0.0764 -0.0666 243 ILE C CG1 ? ? 1 +10227 C CG2 . ILE C 221 0.2541 1.0866 1.1509 0.1524 0.0599 -0.0614 243 ILE C CG2 ? ? 1 +10228 C CD1 . ILE C 221 0.2476 1.0943 1.1549 0.1353 0.0770 -0.0635 243 ILE C CD1 ? ? 1 +10229 C C . ILE C 221 0.2695 1.0890 1.1560 0.1715 0.0622 -0.0649 243 ILE C C ? ? 1 +10230 O O . ILE C 221 0.2676 1.0945 1.1617 0.1772 0.0557 -0.0656 243 ILE C O ? ? 1 +10231 N N . CYS C 222 0.2732 1.0724 1.1413 0.1714 0.0630 -0.0624 244 CYS C N ? ? 1 +10232 C CA . CYS C 222 0.2786 1.0625 1.1343 0.1780 0.0566 -0.0604 244 CYS C CA ? ? 1 +10233 C CB . CYS C 222 0.2839 1.0458 1.1195 0.1744 0.0580 -0.0573 244 CYS C CB ? ? 1 +10234 S SG . CYS C 222 0.2714 1.0239 1.0977 0.1628 0.0545 -0.0524 244 CYS C SG ? ? 1 +10235 C C . CYS C 222 0.2870 1.0749 1.1475 0.1899 0.0560 -0.0637 244 CYS C C ? ? 1 +10236 O O . CYS C 222 0.2910 1.0772 1.1511 0.1963 0.0490 -0.0631 244 CYS C O ? ? 1 +10237 N N . ILE C 223 0.2907 1.0833 1.1551 0.1932 0.0634 -0.0672 245 ILE C N ? ? 1 +10238 C CA . ILE C 223 0.2977 1.0953 1.1677 0.2048 0.0635 -0.0707 245 ILE C CA ? ? 1 +10239 C CB . ILE C 223 0.3063 1.1051 1.1767 0.2070 0.0730 -0.0740 245 ILE C CB ? ? 1 +10240 C CG1 . ILE C 223 0.3172 1.0927 1.1663 0.2051 0.0755 -0.0716 245 ILE C CG1 ? ? 1 +10241 C CG2 . ILE C 223 0.3139 1.1224 1.1941 0.2188 0.0736 -0.0783 245 ILE C CG2 ? ? 1 +10242 C CD1 . ILE C 223 0.3244 1.0998 1.1721 0.2048 0.0854 -0.0743 245 ILE C CD1 ? ? 1 +10243 C C . ILE C 223 0.2870 1.1061 1.1767 0.2089 0.0595 -0.0733 245 ILE C C ? ? 1 +10244 O O . ILE C 223 0.2916 1.1116 1.1833 0.2184 0.0542 -0.0744 245 ILE C O ? ? 1 +10245 N N . ALA C 224 0.2723 1.1079 1.1760 0.2016 0.0619 -0.0744 246 ALA C N ? ? 1 +10246 C CA . ALA C 224 0.2628 1.1196 1.1859 0.2041 0.0581 -0.0771 246 ALA C CA ? ? 1 +10247 C CB . ALA C 224 0.2514 1.1243 1.1881 0.1945 0.0630 -0.0784 246 ALA C CB ? ? 1 +10248 C C . ALA C 224 0.2580 1.1106 1.1778 0.2059 0.0477 -0.0743 246 ALA C C ? ? 1 +10249 O O . ALA C 224 0.2588 1.1189 1.1859 0.2145 0.0422 -0.0761 246 ALA C O ? ? 1 +10250 N N . GLY C 225 0.2523 1.0924 1.1604 0.1977 0.0451 -0.0698 247 GLY C N ? ? 1 +10251 C CA . GLY C 225 0.2495 1.0828 1.1516 0.1985 0.0358 -0.0665 247 GLY C CA ? ? 1 +10252 C C . GLY C 225 0.2607 1.0803 1.1516 0.2089 0.0309 -0.0657 247 GLY C C ? ? 1 +10253 O O . GLY C 225 0.2612 1.0832 1.1546 0.2145 0.0234 -0.0654 247 GLY C O ? ? 1 +10254 N N . GLY C 226 0.2702 1.0754 1.1488 0.2114 0.0353 -0.0655 248 GLY C N ? ? 1 +10255 C CA . GLY C 226 0.2831 1.0740 1.1502 0.2213 0.0320 -0.0651 248 GLY C CA ? ? 1 +10256 C C . GLY C 226 0.2879 1.0917 1.1672 0.2330 0.0296 -0.0691 248 GLY C C ? ? 1 +10257 O O . GLY C 226 0.2936 1.0912 1.1681 0.2405 0.0227 -0.0681 248 GLY C O ? ? 1 +10258 N N . ILE C 227 0.2860 1.1074 1.1807 0.2346 0.0357 -0.0736 249 ILE C N ? ? 1 +10259 C CA . ILE C 227 0.2898 1.1270 1.1991 0.2452 0.0339 -0.0779 249 ILE C CA ? ? 1 +10260 C CB . ILE C 227 0.2871 1.1427 1.2126 0.2449 0.0425 -0.0828 249 ILE C CB ? ? 1 +10261 C CG1 . ILE C 227 0.2968 1.1395 1.2108 0.2456 0.0506 -0.0832 249 ILE C CG1 ? ? 1 +10262 C CG2 . ILE C 227 0.2888 1.1644 1.2326 0.2551 0.0400 -0.0877 249 ILE C CG2 ? ? 1 +10263 C CD1 . ILE C 227 0.2914 1.1453 1.2145 0.2383 0.0602 -0.0855 249 ILE C CD1 ? ? 1 +10264 C C . ILE C 227 0.2826 1.1319 1.2023 0.2461 0.0255 -0.0778 249 ILE C C ? ? 1 +10265 O O . ILE C 227 0.2889 1.1365 1.2076 0.2555 0.0188 -0.0780 249 ILE C O ? ? 1 +10266 N N . TRP C 228 0.2707 1.1310 1.1993 0.2362 0.0260 -0.0772 250 TRP C N ? ? 1 +10267 C CA . TRP C 228 0.2640 1.1353 1.2018 0.2352 0.0184 -0.0769 250 TRP C CA ? ? 1 +10268 C CB . TRP C 228 0.2511 1.1280 1.1931 0.2220 0.0207 -0.0753 250 TRP C CB ? ? 1 +10269 C CG . TRP C 228 0.2434 1.1279 1.1914 0.2192 0.0129 -0.0741 250 TRP C CG ? ? 1 +10270 C CD1 . TRP C 228 0.2412 1.1124 1.1767 0.2144 0.0076 -0.0694 250 TRP C CD1 ? ? 1 +10271 N NE1 . TRP C 228 0.2339 1.1178 1.1799 0.2131 0.0014 -0.0699 250 TRP C NE1 ? ? 1 +10272 C CE2 . TRP C 228 0.2308 1.1372 1.1970 0.2168 0.0026 -0.0752 250 TRP C CE2 ? ? 1 +10273 C CZ2 . TRP C 228 0.2239 1.1496 1.2067 0.2170 -0.0022 -0.0779 250 TRP C CZ2 ? ? 1 +10274 C CH2 . TRP C 228 0.2226 1.1697 1.2252 0.2211 0.0006 -0.0835 250 TRP C CH2 ? ? 1 +10275 C CZ3 . TRP C 228 0.2283 1.1775 1.2338 0.2250 0.0081 -0.0863 250 TRP C CZ3 ? ? 1 +10276 C CE3 . TRP C 228 0.2358 1.1652 1.2240 0.2250 0.0129 -0.0835 250 TRP C CE3 ? ? 1 +10277 C CD2 . TRP C 228 0.2369 1.1445 1.2051 0.2207 0.0100 -0.0779 250 TRP C CD2 ? ? 1 +10278 C C . TRP C 228 0.2714 1.1274 1.1956 0.2401 0.0091 -0.0732 250 TRP C C ? ? 1 +10279 O O . TRP C 228 0.2733 1.1376 1.2047 0.2476 0.0023 -0.0747 250 TRP C O ? ? 1 +10280 N N . HIS C 229 0.2760 1.1098 1.1806 0.2357 0.0089 -0.0685 251 HIS C N ? ? 1 +10281 C CA . HIS C 229 0.2823 1.1006 1.1732 0.2388 0.0009 -0.0647 251 HIS C CA ? ? 1 +10282 C CB . HIS C 229 0.2816 1.0806 1.1553 0.2293 0.0019 -0.0597 251 HIS C CB ? ? 1 +10283 C CG . HIS C 229 0.2688 1.0750 1.1476 0.2193 0.0000 -0.0578 251 HIS C CG ? ? 1 +10284 N ND1 . HIS C 229 0.2653 1.0812 1.1518 0.2211 -0.0072 -0.0579 251 HIS C ND1 ? ? 1 +10285 C CE1 . HIS C 229 0.2536 1.0740 1.1432 0.2107 -0.0069 -0.0562 251 HIS C CE1 ? ? 1 +10286 N NE2 . HIS C 229 0.2505 1.0651 1.1352 0.2027 0.0001 -0.0552 251 HIS C NE2 ? ? 1 +10287 C CD2 . HIS C 229 0.2601 1.0659 1.1380 0.2080 0.0045 -0.0563 251 HIS C CD2 ? ? 1 +10288 C C . HIS C 229 0.2980 1.1057 1.1805 0.2515 -0.0025 -0.0651 251 HIS C C ? ? 1 +10289 O O . HIS C 229 0.3026 1.1034 1.1788 0.2565 -0.0102 -0.0632 251 HIS C O ? ? 1 +10290 N N . ILE C 230 0.3069 1.1132 1.1891 0.2568 0.0033 -0.0678 252 ILE C N ? ? 1 +10291 C CA . ILE C 230 0.3220 1.1220 1.1996 0.2698 0.0005 -0.0693 252 ILE C CA ? ? 1 +10292 C CB . ILE C 230 0.3302 1.1246 1.2040 0.2731 0.0085 -0.0715 252 ILE C CB ? ? 1 +10293 C CG1 . ILE C 230 0.3350 1.1047 1.1875 0.2669 0.0114 -0.0674 252 ILE C CG1 ? ? 1 +10294 C CG2 . ILE C 230 0.3438 1.1390 1.2192 0.2877 0.0066 -0.0747 252 ILE C CG2 ? ? 1 +10295 C CD1 . ILE C 230 0.3423 1.1056 1.1898 0.2678 0.0198 -0.0693 252 ILE C CD1 ? ? 1 +10296 C C . ILE C 230 0.3219 1.1424 1.2171 0.2780 -0.0046 -0.0730 252 ILE C C ? ? 1 +10297 O O . ILE C 230 0.3285 1.1440 1.2192 0.2862 -0.0121 -0.0721 252 ILE C O ? ? 1 +10298 N N . LEU C 231 0.3143 1.1579 1.2295 0.2754 -0.0006 -0.0771 253 LEU C N ? ? 1 +10299 C CA . LEU C 231 0.3154 1.1806 1.2494 0.2836 -0.0043 -0.0816 253 LEU C CA ? ? 1 +10300 C CB . LEU C 231 0.3082 1.1959 1.2623 0.2808 0.0035 -0.0867 253 LEU C CB ? ? 1 +10301 C CG . LEU C 231 0.3159 1.1998 1.2677 0.2836 0.0123 -0.0889 253 LEU C CG ? ? 1 +10302 C CD1 . LEU C 231 0.3083 1.2163 1.2815 0.2809 0.0194 -0.0940 253 LEU C CD1 ? ? 1 +10303 C CD2 . LEU C 231 0.3316 1.2073 1.2770 0.2978 0.0096 -0.0902 253 LEU C CD2 ? ? 1 +10304 C C . LEU C 231 0.3087 1.1823 1.2488 0.2818 -0.0128 -0.0806 253 LEU C C ? ? 1 +10305 O O . LEU C 231 0.3107 1.1981 1.2626 0.2902 -0.0183 -0.0837 253 LEU C O ? ? 1 +10306 N N . THR C 232 0.3007 1.1666 1.2332 0.2711 -0.0140 -0.0764 254 THR C N ? ? 1 +10307 C CA . THR C 232 0.2942 1.1685 1.2327 0.2685 -0.0214 -0.0755 254 THR C CA ? ? 1 +10308 C CB . THR C 232 0.2784 1.1654 1.2276 0.2554 -0.0175 -0.0758 254 THR C CB ? ? 1 +10309 O OG1 . THR C 232 0.2761 1.1470 1.2114 0.2457 -0.0121 -0.0719 254 THR C OG1 ? ? 1 +10310 C CG2 . THR C 232 0.2720 1.1828 1.2428 0.2549 -0.0115 -0.0814 254 THR C CG2 ? ? 1 +10311 C C . THR C 232 0.3020 1.1556 1.2215 0.2690 -0.0285 -0.0702 254 THR C C ? ? 1 +10312 O O . THR C 232 0.3082 1.1400 1.2093 0.2701 -0.0274 -0.0669 254 THR C O ? ? 1 +10313 N N . THR C 233 0.3014 1.1626 1.2260 0.2684 -0.0358 -0.0697 255 THR C N ? ? 1 +10314 C CA . THR C 233 0.3088 1.1532 1.2176 0.2671 -0.0424 -0.0648 255 THR C CA ? ? 1 +10315 C CB . THR C 233 0.3230 1.1658 1.2295 0.2799 -0.0510 -0.0654 255 THR C CB ? ? 1 +10316 O OG1 . THR C 233 0.3343 1.1540 1.2200 0.2798 -0.0554 -0.0600 255 THR C OG1 ? ? 1 +10317 C CG2 . THR C 233 0.3167 1.1817 1.2410 0.2823 -0.0572 -0.0687 255 THR C CG2 ? ? 1 +10318 C C . THR C 233 0.2960 1.1493 1.2113 0.2560 -0.0436 -0.0636 255 THR C C ? ? 1 +10319 O O . THR C 233 0.2854 1.1600 1.2192 0.2530 -0.0424 -0.0673 255 THR C O ? ? 1 +10320 N N . PRO C 234 0.2989 1.1362 1.1994 0.2492 -0.0458 -0.0585 256 PRO C N ? ? 1 +10321 C CA . PRO C 234 0.2885 1.1337 1.1947 0.2385 -0.0466 -0.0573 256 PRO C CA ? ? 1 +10322 C CB . PRO C 234 0.2889 1.1116 1.1748 0.2340 -0.0492 -0.0514 256 PRO C CB ? ? 1 +10323 C CG . PRO C 234 0.3007 1.1041 1.1713 0.2384 -0.0462 -0.0496 256 PRO C CG ? ? 1 +10324 C CD . PRO C 234 0.3103 1.1217 1.1886 0.2509 -0.0471 -0.0538 256 PRO C CD ? ? 1 +10325 C C . PRO C 234 0.2875 1.1522 1.2093 0.2416 -0.0532 -0.0604 256 PRO C C ? ? 1 +10326 O O . PRO C 234 0.2950 1.1587 1.2149 0.2511 -0.0604 -0.0608 256 PRO C O ? ? 1 +10327 N N . PHE C 235 0.2794 1.1611 1.2160 0.2331 -0.0505 -0.0626 257 PHE C N ? ? 1 +10328 C CA . PHE C 235 0.2757 1.1767 1.2279 0.2336 -0.0562 -0.0656 257 PHE C CA ? ? 1 +10329 C CB . PHE C 235 0.2613 1.1813 1.2310 0.2240 -0.0503 -0.0688 257 PHE C CB ? ? 1 +10330 C CG . PHE C 235 0.2586 1.1892 1.2396 0.2256 -0.0424 -0.0728 257 PHE C CG ? ? 1 +10331 C CD1 . PHE C 235 0.2621 1.2052 1.2546 0.2363 -0.0441 -0.0774 257 PHE C CD1 ? ? 1 +10332 C CD2 . PHE C 235 0.2517 1.1795 1.2316 0.2166 -0.0333 -0.0721 257 PHE C CD2 ? ? 1 +10333 C CE1 . PHE C 235 0.2627 1.2156 1.2656 0.2378 -0.0365 -0.0811 257 PHE C CE1 ? ? 1 +10334 C CE2 . PHE C 235 0.2522 1.1894 1.2419 0.2181 -0.0258 -0.0757 257 PHE C CE2 ? ? 1 +10335 C CZ . PHE C 235 0.2572 1.2069 1.2584 0.2286 -0.0273 -0.0802 257 PHE C CZ ? ? 1 +10336 C C . PHE C 235 0.2789 1.1708 1.2209 0.2309 -0.0634 -0.0617 257 PHE C C ? ? 1 +10337 O O . PHE C 235 0.2817 1.1550 1.2073 0.2256 -0.0624 -0.0569 257 PHE C O ? ? 1 +10338 N N . GLY C 236 0.2813 1.1871 1.2338 0.2343 -0.0706 -0.0642 258 GLY C N ? ? 1 +10339 C CA . GLY C 236 0.2866 1.1850 1.2302 0.2335 -0.0783 -0.0611 258 GLY C CA ? ? 1 +10340 C C . GLY C 236 0.2851 1.1763 1.2220 0.2207 -0.0756 -0.0573 258 GLY C C ? ? 1 +10341 O O . GLY C 236 0.2968 1.1707 1.2173 0.2193 -0.0788 -0.0526 258 GLY C O ? ? 1 +10342 N N . TRP C 237 0.2778 1.1816 1.2270 0.2114 -0.0696 -0.0593 259 TRP C N ? ? 1 +10343 C CA . TRP C 237 0.2715 1.1699 1.2157 0.1993 -0.0670 -0.0562 259 TRP C CA ? ? 1 +10344 C CB . TRP C 237 0.2609 1.1773 1.2222 0.1906 -0.0610 -0.0596 259 TRP C CB ? ? 1 +10345 C CG . TRP C 237 0.2623 1.1812 1.2282 0.1893 -0.0519 -0.0613 259 TRP C CG ? ? 1 +10346 C CD1 . TRP C 237 0.2615 1.1964 1.2428 0.1942 -0.0490 -0.0664 259 TRP C CD1 ? ? 1 +10347 N NE1 . TRP C 237 0.2614 1.1929 1.2416 0.1908 -0.0400 -0.0665 259 TRP C NE1 ? ? 1 +10348 C CE2 . TRP C 237 0.2618 1.1754 1.2260 0.1834 -0.0372 -0.0615 259 TRP C CE2 ? ? 1 +10349 C CZ2 . TRP C 237 0.2621 1.1658 1.2188 0.1780 -0.0290 -0.0598 259 TRP C CZ2 ? ? 1 +10350 C CH2 . TRP C 237 0.2606 1.1468 1.2013 0.1712 -0.0284 -0.0548 259 TRP C CH2 ? ? 1 +10351 C CZ3 . TRP C 237 0.2595 1.1380 1.1919 0.1697 -0.0353 -0.0515 259 TRP C CZ3 ? ? 1 +10352 C CE3 . TRP C 237 0.2582 1.1459 1.1974 0.1751 -0.0431 -0.0531 259 TRP C CE3 ? ? 1 +10353 C CD2 . TRP C 237 0.2611 1.1666 1.2164 0.1821 -0.0443 -0.0582 259 TRP C CD2 ? ? 1 +10354 C C . TRP C 237 0.2796 1.1551 1.2044 0.1956 -0.0629 -0.0510 259 TRP C C ? ? 1 +10355 O O . TRP C 237 0.2776 1.1422 1.1920 0.1888 -0.0639 -0.0470 259 TRP C O ? ? 1 +10356 N N . ALA C 238 0.2914 1.1603 1.2121 0.2000 -0.0582 -0.0513 260 ALA C N ? ? 1 +10357 C CA . ALA C 238 0.3042 1.1514 1.2068 0.1978 -0.0545 -0.0470 260 ALA C CA ? ? 1 +10358 C CB . ALA C 238 0.3067 1.1530 1.2106 0.2007 -0.0476 -0.0489 260 ALA C CB ? ? 1 +10359 C C . ALA C 238 0.3282 1.1580 1.2144 0.2047 -0.0610 -0.0435 260 ALA C C ? ? 1 +10360 O O . ALA C 238 0.3357 1.1481 1.2064 0.1999 -0.0609 -0.0389 260 ALA C O ? ? 1 +10361 N N . ARG C 239 0.3454 1.1797 1.2349 0.2157 -0.0664 -0.0457 261 ARG C N ? ? 1 +10362 C CA . ARG C 239 0.3744 1.1925 1.2486 0.2231 -0.0728 -0.0426 261 ARG C CA ? ? 1 +10363 C CB . ARG C 239 0.4116 1.2385 1.2926 0.2359 -0.0787 -0.0460 261 ARG C CB ? ? 1 +10364 C CG . ARG C 239 0.4509 1.2782 1.3343 0.2435 -0.0746 -0.0486 261 ARG C CG ? ? 1 +10365 C CD . ARG C 239 0.4943 1.3244 1.3794 0.2573 -0.0807 -0.0510 261 ARG C CD ? ? 1 +10366 N NE . ARG C 239 0.5309 1.3851 1.4358 0.2605 -0.0847 -0.0559 261 ARG C NE ? ? 1 +10367 C CZ . ARG C 239 0.5783 1.4371 1.4846 0.2644 -0.0932 -0.0561 261 ARG C CZ ? ? 1 +10368 N NH1 . ARG C 239 0.6048 1.4467 1.4945 0.2638 -0.0980 -0.0514 261 ARG C NH1 ? ? 1 +10369 N NH2 . ARG C 239 0.5767 1.4577 1.5016 0.2689 -0.0970 -0.0612 261 ARG C NH2 ? ? 1 +10370 C C . ARG C 239 0.3640 1.1753 1.2301 0.2175 -0.0774 -0.0389 261 ARG C C ? ? 1 +10371 O O . ARG C 239 0.3712 1.1627 1.2196 0.2172 -0.0788 -0.0344 261 ARG C O ? ? 1 +10372 N N . ARG C 240 0.3446 1.1723 1.2236 0.2125 -0.0795 -0.0409 262 ARG C N ? ? 1 +10373 C CA . ARG C 240 0.3373 1.1602 1.2099 0.2073 -0.0840 -0.0379 262 ARG C CA ? ? 1 +10374 C CB . ARG C 240 0.3393 1.1835 1.2289 0.2060 -0.0881 -0.0416 262 ARG C CB ? ? 1 +10375 C CG . ARG C 240 0.3612 1.2152 1.2579 0.2179 -0.0952 -0.0451 262 ARG C CG ? ? 1 +10376 C CD . ARG C 240 0.3683 1.2414 1.2797 0.2165 -0.1005 -0.0485 262 ARG C CD ? ? 1 +10377 N NE . ARG C 240 0.3725 1.2673 1.3047 0.2125 -0.0961 -0.0535 262 ARG C NE ? ? 1 +10378 C CZ . ARG C 240 0.3804 1.2902 1.3268 0.2196 -0.0960 -0.0583 262 ARG C CZ ? ? 1 +10379 N NH1 . ARG C 240 0.3891 1.2947 1.3313 0.2315 -0.1000 -0.0590 262 ARG C NH1 ? ? 1 +10380 N NH2 . ARG C 240 0.3800 1.3094 1.3452 0.2146 -0.0916 -0.0627 262 ARG C NH2 ? ? 1 +10381 C C . ARG C 240 0.3123 1.1243 1.1760 0.1956 -0.0790 -0.0340 262 ARG C C ? ? 1 +10382 O O . ARG C 240 0.3042 1.1067 1.1580 0.1919 -0.0821 -0.0305 262 ARG C O ? ? 1 +10383 N N . ALA C 241 0.2930 1.1063 1.1602 0.1903 -0.0712 -0.0347 263 ALA C N ? ? 1 +10384 C CA . ALA C 241 0.2742 1.0814 1.1366 0.1788 -0.0661 -0.0319 263 ALA C CA ? ? 1 +10385 C CB . ALA C 241 0.2648 1.0862 1.1412 0.1733 -0.0592 -0.0352 263 ALA C CB ? ? 1 +10386 C C . ALA C 241 0.2712 1.0562 1.1153 0.1772 -0.0632 -0.0275 263 ALA C C ? ? 1 +10387 O O . ALA C 241 0.2689 1.0461 1.1062 0.1685 -0.0608 -0.0245 263 ALA C O ? ? 1 +10388 N N . PHE C 242 0.2745 1.0496 1.1110 0.1855 -0.0634 -0.0274 264 PHE C N ? ? 1 +10389 C CA . PHE C 242 0.2757 1.0304 1.0959 0.1845 -0.0602 -0.0240 264 PHE C CA ? ? 1 +10390 C CB . PHE C 242 0.2787 1.0339 1.1015 0.1878 -0.0545 -0.0264 264 PHE C CB ? ? 1 +10391 C CG . PHE C 242 0.2678 1.0339 1.1010 0.1799 -0.0476 -0.0284 264 PHE C CG ? ? 1 +10392 C CD1 . PHE C 242 0.2613 1.0183 1.0870 0.1704 -0.0431 -0.0257 264 PHE C CD1 ? ? 1 +10393 C CD2 . PHE C 242 0.2613 1.0471 1.1119 0.1820 -0.0457 -0.0331 264 PHE C CD2 ? ? 1 +10394 C CE1 . PHE C 242 0.2529 1.0193 1.0874 0.1634 -0.0368 -0.0275 264 PHE C CE1 ? ? 1 +10395 C CE2 . PHE C 242 0.2517 1.0469 1.1112 0.1745 -0.0391 -0.0349 264 PHE C CE2 ? ? 1 +10396 C CZ . PHE C 242 0.2483 1.0335 1.0994 0.1654 -0.0347 -0.0320 264 PHE C CZ ? ? 1 +10397 C C . PHE C 242 0.2845 1.0221 1.0891 0.1911 -0.0655 -0.0208 264 PHE C C ? ? 1 +10398 O O . PHE C 242 0.2908 1.0325 1.0976 0.1992 -0.0714 -0.0220 264 PHE C O ? ? 1 +10399 N N . ILE C 243 0.2841 1.0024 1.0730 0.1876 -0.0632 -0.0170 265 ILE C N ? ? 1 +10400 C CA . ILE C 243 0.2946 0.9941 1.0674 0.1939 -0.0663 -0.0141 265 ILE C CA ? ? 1 +10401 C CB . ILE C 243 0.2965 0.9782 1.0542 0.1863 -0.0653 -0.0093 265 ILE C CB ? ? 1 +10402 C CG1 . ILE C 243 0.2872 0.9757 1.0487 0.1786 -0.0673 -0.0079 265 ILE C CG1 ? ? 1 +10403 C CG2 . ILE C 243 0.3113 0.9730 1.0519 0.1925 -0.0685 -0.0062 265 ILE C CG2 ? ? 1 +10404 C CD1 . ILE C 243 0.2914 0.9859 1.0553 0.1845 -0.0746 -0.0082 265 ILE C CD1 ? ? 1 +10405 C C . ILE C 243 0.2996 0.9929 1.0693 0.2005 -0.0631 -0.0157 265 ILE C C ? ? 1 +10406 O O . ILE C 243 0.2944 0.9873 1.0656 0.1961 -0.0570 -0.0165 265 ILE C O ? ? 1 +10407 N N . TRP C 244 0.3095 0.9970 1.0741 0.2112 -0.0673 -0.0160 266 TRP C N ? ? 1 +10408 C CA . TRP C 244 0.3183 1.0006 1.0804 0.2187 -0.0648 -0.0178 266 TRP C CA ? ? 1 +10409 C CB . TRP C 244 0.3209 1.0180 1.0950 0.2295 -0.0686 -0.0220 266 TRP C CB ? ? 1 +10410 C CG . TRP C 244 0.3058 1.0270 1.0998 0.2257 -0.0676 -0.0257 266 TRP C CG ? ? 1 +10411 C CD1 . TRP C 244 0.2961 1.0294 1.0984 0.2221 -0.0715 -0.0259 266 TRP C CD1 ? ? 1 +10412 N NE1 . TRP C 244 0.2844 1.0385 1.1049 0.2184 -0.0686 -0.0297 266 TRP C NE1 ? ? 1 +10413 C CE2 . TRP C 244 0.2855 1.0414 1.1097 0.2196 -0.0625 -0.0320 266 TRP C CE2 ? ? 1 +10414 C CZ2 . TRP C 244 0.2763 1.0496 1.1165 0.2170 -0.0573 -0.0360 266 TRP C CZ2 ? ? 1 +10415 C CH2 . TRP C 244 0.2807 1.0506 1.1199 0.2192 -0.0514 -0.0375 266 TRP C CH2 ? ? 1 +10416 C CZ3 . TRP C 244 0.2942 1.0439 1.1171 0.2240 -0.0509 -0.0352 266 TRP C CZ3 ? ? 1 +10417 C CE3 . TRP C 244 0.3027 1.0350 1.1099 0.2263 -0.0559 -0.0313 266 TRP C CE3 ? ? 1 +10418 C CD2 . TRP C 244 0.2986 1.0339 1.1062 0.2241 -0.0618 -0.0295 266 TRP C CD2 ? ? 1 +10419 C C . TRP C 244 0.3315 0.9890 1.0735 0.2215 -0.0655 -0.0141 266 TRP C C ? ? 1 +10420 O O . TRP C 244 0.3452 0.9949 1.0797 0.2300 -0.0706 -0.0132 266 TRP C O ? ? 1 +10421 N N . SER C 245 0.3282 0.9734 1.0613 0.2140 -0.0604 -0.0120 267 SER C N ? ? 1 +10422 C CA . SER C 245 0.3387 0.9601 1.0530 0.2149 -0.0602 -0.0085 267 SER C CA ? ? 1 +10423 C CB . SER C 245 0.3386 0.9498 1.0427 0.2102 -0.0636 -0.0042 267 SER C CB ? ? 1 +10424 O OG . SER C 245 0.3245 0.9367 1.0296 0.1984 -0.0603 -0.0026 267 SER C OG ? ? 1 +10425 C C . SER C 245 0.3353 0.9486 1.0450 0.2084 -0.0534 -0.0083 267 SER C C ? ? 1 +10426 O O . SER C 245 0.3223 0.9469 1.0416 0.2013 -0.0494 -0.0098 267 SER C O ? ? 1 +10427 N N . GLY C 246 0.3471 0.9402 1.0415 0.2110 -0.0524 -0.0065 268 GLY C N ? ? 1 +10428 C CA . GLY C 246 0.3461 0.9290 1.0340 0.2054 -0.0467 -0.0063 268 GLY C CA ? ? 1 +10429 C C . GLY C 246 0.3315 0.9152 1.0197 0.1929 -0.0441 -0.0043 268 GLY C C ? ? 1 +10430 O O . GLY C 246 0.3226 0.9120 1.0162 0.1874 -0.0393 -0.0058 268 GLY C O ? ? 1 +10431 N N . GLU C 247 0.3286 0.9068 1.0111 0.1889 -0.0474 -0.0009 269 GLU C N ? ? 1 +10432 C CA . GLU C 247 0.3165 0.8945 0.9985 0.1775 -0.0454 0.0012 269 GLU C CA ? ? 1 +10433 C CB . GLU C 247 0.3184 0.8867 0.9912 0.1748 -0.0492 0.0052 269 GLU C CB ? ? 1 +10434 C CG . GLU C 247 0.3102 0.8744 0.9798 0.1633 -0.0465 0.0075 269 GLU C CG ? ? 1 +10435 C CD . GLU C 247 0.3143 0.8654 0.9725 0.1595 -0.0489 0.0116 269 GLU C CD ? ? 1 +10436 O OE1 . GLU C 247 0.3215 0.8691 0.9755 0.1652 -0.0532 0.0130 269 GLU C OE1 ? ? 1 +10437 O OE2 . GLU C 247 0.3107 0.8548 0.9640 0.1510 -0.0462 0.0134 269 GLU C OE2 ? ? 1 +10438 C C . GLU C 247 0.2993 0.8986 0.9978 0.1727 -0.0441 -0.0010 269 GLU C C ? ? 1 +10439 O O . GLU C 247 0.2896 0.8915 0.9905 0.1642 -0.0403 -0.0009 269 GLU C O ? ? 1 +10440 N N . ALA C 248 0.2959 0.9103 1.0055 0.1783 -0.0474 -0.0031 270 ALA C N ? ? 1 +10441 C CA . ALA C 248 0.2806 0.9155 1.0063 0.1742 -0.0464 -0.0055 270 ALA C CA ? ? 1 +10442 C CB . ALA C 248 0.2796 0.9286 1.0156 0.1815 -0.0513 -0.0075 270 ALA C CB ? ? 1 +10443 C C . ALA C 248 0.2765 0.9183 1.0093 0.1726 -0.0405 -0.0085 270 ALA C C ? ? 1 +10444 O O . ALA C 248 0.2635 0.9134 1.0028 0.1647 -0.0371 -0.0090 270 ALA C O ? ? 1 +10445 N N . TYR C 249 0.2879 0.9254 1.0185 0.1804 -0.0392 -0.0105 271 TYR C N ? ? 1 +10446 C CA . TYR C 249 0.2872 0.9307 1.0238 0.1802 -0.0335 -0.0136 271 TYR C CA ? ? 1 +10447 C CB . TYR C 249 0.3022 0.9414 1.0365 0.1908 -0.0332 -0.0158 271 TYR C CB ? ? 1 +10448 C CG . TYR C 249 0.3083 0.9572 1.0500 0.2005 -0.0382 -0.0176 271 TYR C CG ? ? 1 +10449 C CD1 . TYR C 249 0.2981 0.9662 1.0545 0.1997 -0.0407 -0.0192 271 TYR C CD1 ? ? 1 +10450 C CD2 . TYR C 249 0.3250 0.9638 1.0590 0.2108 -0.0407 -0.0179 271 TYR C CD2 ? ? 1 +10451 C CE1 . TYR C 249 0.3029 0.9804 1.0663 0.2087 -0.0457 -0.0211 271 TYR C CE1 ? ? 1 +10452 C CE2 . TYR C 249 0.3299 0.9776 1.0705 0.2202 -0.0457 -0.0196 271 TYR C CE2 ? ? 1 +10453 C CZ . TYR C 249 0.3187 0.9860 1.0742 0.2191 -0.0483 -0.0213 271 TYR C CZ ? ? 1 +10454 O OH . TYR C 249 0.3249 1.0014 1.0871 0.2285 -0.0537 -0.0232 271 TYR C OH ? ? 1 +10455 C C . TYR C 249 0.2844 0.9169 1.0125 0.1714 -0.0288 -0.0118 271 TYR C C ? ? 1 +10456 O O . TYR C 249 0.2771 0.9180 1.0121 0.1661 -0.0243 -0.0134 271 TYR C O ? ? 1 +10457 N N . LEU C 250 0.2923 0.9057 1.0052 0.1700 -0.0301 -0.0086 272 LEU C N ? ? 1 +10458 C CA . LEU C 250 0.2893 0.8921 0.9939 0.1613 -0.0265 -0.0068 272 LEU C CA ? ? 1 +10459 C CB . LEU C 250 0.3009 0.8828 0.9892 0.1612 -0.0287 -0.0035 272 LEU C CB ? ? 1 +10460 C CG . LEU C 250 0.3004 0.8706 0.9796 0.1521 -0.0258 -0.0015 272 LEU C CG ? ? 1 +10461 C CD1 . LEU C 250 0.3041 0.8702 0.9810 0.1519 -0.0208 -0.0038 272 LEU C CD1 ? ? 1 +10462 C CD2 . LEU C 250 0.3111 0.8627 0.9759 0.1515 -0.0283 0.0018 272 LEU C CD2 ? ? 1 +10463 C C . LEU C 250 0.2729 0.8856 0.9843 0.1517 -0.0258 -0.0059 272 LEU C C ? ? 1 +10464 O O . LEU C 250 0.2668 0.8809 0.9794 0.1452 -0.0216 -0.0064 272 LEU C O ? ? 1 +10465 N N . SER C 251 0.2663 0.8856 0.9820 0.1510 -0.0300 -0.0045 273 SER C N ? ? 1 +10466 C CA . SER C 251 0.2525 0.8804 0.9741 0.1421 -0.0297 -0.0034 273 SER C CA ? ? 1 +10467 C CB . SER C 251 0.2498 0.8814 0.9730 0.1424 -0.0350 -0.0016 273 SER C CB ? ? 1 +10468 O OG . SER C 251 0.2461 0.8940 0.9819 0.1474 -0.0374 -0.0041 273 SER C OG ? ? 1 +10469 C C . SER C 251 0.2413 0.8864 0.9767 0.1396 -0.0259 -0.0065 273 SER C C ? ? 1 +10470 O O . SER C 251 0.2325 0.8794 0.9690 0.1316 -0.0228 -0.0061 273 SER C O ? ? 1 +10471 N N . TYR C 252 0.2416 0.8989 0.9873 0.1465 -0.0262 -0.0098 274 TYR C N ? ? 1 +10472 C CA . TYR C 252 0.2324 0.9063 0.9917 0.1445 -0.0223 -0.0130 274 TYR C CA ? ? 1 +10473 C CB . TYR C 252 0.2356 0.9231 1.0066 0.1533 -0.0232 -0.0166 274 TYR C CB ? ? 1 +10474 C CG . TYR C 252 0.2373 0.9290 1.0111 0.1591 -0.0298 -0.0163 274 TYR C CG ? ? 1 +10475 C CD1 . TYR C 252 0.2306 0.9237 1.0042 0.1544 -0.0337 -0.0140 274 TYR C CD1 ? ? 1 +10476 C CD2 . TYR C 252 0.2460 0.9400 1.0222 0.1695 -0.0323 -0.0184 274 TYR C CD2 ? ? 1 +10477 C CE1 . TYR C 252 0.2330 0.9294 1.0084 0.1599 -0.0399 -0.0137 274 TYR C CE1 ? ? 1 +10478 C CE2 . TYR C 252 0.2485 0.9460 1.0266 0.1752 -0.0387 -0.0182 274 TYR C CE2 ? ? 1 +10479 C CZ . TYR C 252 0.2425 0.9411 1.0201 0.1703 -0.0425 -0.0158 274 TYR C CZ ? ? 1 +10480 O OH . TYR C 252 0.2460 0.9478 1.0249 0.1760 -0.0490 -0.0156 274 TYR C OH ? ? 1 +10481 C C . TYR C 252 0.2326 0.9016 0.9884 0.1408 -0.0161 -0.0138 274 TYR C C ? ? 1 +10482 O O . TYR C 252 0.2219 0.8989 0.9837 0.1342 -0.0125 -0.0145 274 TYR C O ? ? 1 +10483 N N . SER C 253 0.2452 0.9005 0.9907 0.1452 -0.0150 -0.0138 275 SER C N ? ? 1 +10484 C CA . SER C 253 0.2493 0.8980 0.9896 0.1424 -0.0094 -0.0147 275 SER C CA ? ? 1 +10485 C CB . SER C 253 0.2654 0.9015 0.9966 0.1500 -0.0089 -0.0155 275 SER C CB ? ? 1 +10486 O OG . SER C 253 0.2705 0.9170 1.0108 0.1586 -0.0086 -0.0188 275 SER C OG ? ? 1 +10487 C C . SER C 253 0.2450 0.8841 0.9768 0.1330 -0.0083 -0.0119 275 SER C C ? ? 1 +10488 O O . SER C 253 0.2411 0.8812 0.9732 0.1281 -0.0037 -0.0127 275 SER C O ? ? 1 +10489 N N . LEU C 254 0.2454 0.8756 0.9698 0.1306 -0.0124 -0.0086 276 LEU C N ? ? 1 +10490 C CA . LEU C 254 0.2416 0.8639 0.9590 0.1217 -0.0117 -0.0061 276 LEU C CA ? ? 1 +10491 C CB . LEU C 254 0.2452 0.8564 0.9538 0.1207 -0.0163 -0.0026 276 LEU C CB ? ? 1 +10492 C CG . LEU C 254 0.2599 0.8536 0.9555 0.1254 -0.0174 -0.0016 276 LEU C CG ? ? 1 +10493 C CD1 . LEU C 254 0.2634 0.8484 0.9520 0.1252 -0.0219 0.0016 276 LEU C CD1 ? ? 1 +10494 C CD2 . LEU C 254 0.2646 0.8465 0.9512 0.1211 -0.0140 -0.0016 276 LEU C CD2 ? ? 1 +10495 C C . LEU C 254 0.2274 0.8634 0.9548 0.1148 -0.0101 -0.0063 276 LEU C C ? ? 1 +10496 O O . LEU C 254 0.2232 0.8565 0.9476 0.1080 -0.0072 -0.0058 276 LEU C O ? ? 1 +10497 N N . GLY C 255 0.2206 0.8711 0.9594 0.1167 -0.0122 -0.0073 277 GLY C N ? ? 1 +10498 C CA . GLY C 255 0.2083 0.8728 0.9576 0.1108 -0.0105 -0.0080 277 GLY C CA ? ? 1 +10499 C C . GLY C 255 0.2069 0.8779 0.9614 0.1095 -0.0046 -0.0108 277 GLY C C ? ? 1 +10500 O O . GLY C 255 0.2000 0.8734 0.9555 0.1025 -0.0016 -0.0105 277 GLY C O ? ? 1 +10501 N N . ALA C 256 0.2155 0.8886 0.9726 0.1166 -0.0028 -0.0135 278 ALA C N ? ? 1 +10502 C CA . ALA C 256 0.2162 0.8954 0.9782 0.1163 0.0031 -0.0163 278 ALA C CA ? ? 1 +10503 C CB . ALA C 256 0.2241 0.9066 0.9899 0.1256 0.0040 -0.0192 278 ALA C CB ? ? 1 +10504 C C . ALA C 256 0.2204 0.8866 0.9710 0.1115 0.0066 -0.0152 278 ALA C C ? ? 1 +10505 O O . ALA C 256 0.2153 0.8855 0.9680 0.1057 0.0106 -0.0157 278 ALA C O ? ? 1 +10506 N N . LEU C 257 0.2311 0.8814 0.9692 0.1137 0.0049 -0.0138 279 LEU C N ? ? 1 +10507 C CA . LEU C 257 0.2364 0.8737 0.9632 0.1094 0.0076 -0.0130 279 LEU C CA ? ? 1 +10508 C CB . LEU C 257 0.2488 0.8693 0.9631 0.1133 0.0053 -0.0119 279 LEU C CB ? ? 1 +10509 C CG . LEU C 257 0.2607 0.8755 0.9708 0.1194 0.0086 -0.0144 279 LEU C CG ? ? 1 +10510 C CD1 . LEU C 257 0.2628 0.8891 0.9831 0.1276 0.0090 -0.0171 279 LEU C CD1 ? ? 1 +10511 C CD2 . LEU C 257 0.2734 0.8695 0.9695 0.1215 0.0066 -0.0130 279 LEU C CD2 ? ? 1 +10512 C C . LEU C 257 0.2282 0.8642 0.9527 0.1002 0.0074 -0.0106 279 LEU C C ? ? 1 +10513 O O . LEU C 257 0.2281 0.8611 0.9488 0.0956 0.0110 -0.0109 279 LEU C O ? ? 1 +10514 N N . SER C 258 0.2225 0.8609 0.9490 0.0977 0.0031 -0.0083 280 SER C N ? ? 1 +10515 C CA . SER C 258 0.2157 0.8545 0.9414 0.0894 0.0028 -0.0063 280 SER C CA ? ? 1 +10516 C CB . SER C 258 0.2103 0.8517 0.9384 0.0883 -0.0022 -0.0040 280 SER C CB ? ? 1 +10517 O OG . SER C 258 0.2017 0.8458 0.9308 0.0805 -0.0021 -0.0024 280 SER C OG ? ? 1 +10518 C C . SER C 258 0.2087 0.8595 0.9429 0.0853 0.0069 -0.0078 280 SER C C ? ? 1 +10519 O O . SER C 258 0.2063 0.8536 0.9363 0.0796 0.0095 -0.0074 280 SER C O ? ? 1 +10520 N N . MET C 259 0.2057 0.8707 0.9519 0.0882 0.0074 -0.0097 281 MET C N ? ? 1 +10521 C CA . MET C 259 0.1994 0.8768 0.9549 0.0846 0.0115 -0.0114 281 MET C CA ? ? 1 +10522 C CB . MET C 259 0.1987 0.8915 0.9678 0.0892 0.0109 -0.0137 281 MET C CB ? ? 1 +10523 C CG . MET C 259 0.1967 0.9024 0.9760 0.0869 0.0158 -0.0162 281 MET C CG ? ? 1 +10524 S SD . MET C 259 0.1986 0.9217 0.9939 0.0929 0.0143 -0.0192 281 MET C SD ? ? 1 +10525 C CE . MET C 259 0.1929 0.9301 0.9993 0.0871 0.0205 -0.0213 281 MET C CE ? ? 1 +10526 C C . MET C 259 0.2025 0.8761 0.9539 0.0841 0.0173 -0.0131 281 MET C C ? ? 1 +10527 O O . MET C 259 0.1976 0.8726 0.9486 0.0782 0.0205 -0.0129 281 MET C O ? ? 1 +10528 N N . MET C 260 0.2107 0.8790 0.9585 0.0904 0.0185 -0.0148 282 MET C N ? ? 1 +10529 C CA . MET C 260 0.2164 0.8793 0.9587 0.0906 0.0238 -0.0164 282 MET C CA ? ? 1 +10530 C CB . MET C 260 0.2276 0.8862 0.9676 0.0990 0.0243 -0.0184 282 MET C CB ? ? 1 +10531 C CG . MET C 260 0.2277 0.9011 0.9809 0.1042 0.0259 -0.0212 282 MET C CG ? ? 1 +10532 S SD . MET C 260 0.2426 0.9130 0.9946 0.1144 0.0276 -0.0242 282 MET C SD ? ? 1 +10533 C CE . MET C 260 0.2480 0.9078 0.9929 0.1191 0.0207 -0.0220 282 MET C CE ? ? 1 +10534 C C . MET C 260 0.2160 0.8653 0.9456 0.0849 0.0240 -0.0144 282 MET C C ? ? 1 +10535 O O . MET C 260 0.2152 0.8638 0.9424 0.0811 0.0282 -0.0151 282 MET C O ? ? 1 +10536 N N . GLY C 261 0.2162 0.8548 0.9378 0.0842 0.0194 -0.0120 283 GLY C N ? ? 1 +10537 C CA . GLY C 261 0.2173 0.8437 0.9278 0.0787 0.0189 -0.0103 283 GLY C CA ? ? 1 +10538 C C . GLY C 261 0.2066 0.8381 0.9194 0.0712 0.0202 -0.0092 283 GLY C C ? ? 1 +10539 O O . GLY C 261 0.2079 0.8333 0.9138 0.0674 0.0226 -0.0092 283 GLY C O ? ? 1 +10540 N N . PHE C 262 0.1963 0.8389 0.9185 0.0693 0.0185 -0.0083 284 PHE C N ? ? 1 +10541 C CA . PHE C 262 0.1869 0.8353 0.9123 0.0626 0.0196 -0.0074 284 PHE C CA ? ? 1 +10542 C CB . PHE C 262 0.1774 0.8366 0.9125 0.0615 0.0165 -0.0064 284 PHE C CB ? ? 1 +10543 C CG . PHE C 262 0.1763 0.8293 0.9072 0.0607 0.0110 -0.0038 284 PHE C CG ? ? 1 +10544 C CD1 . PHE C 262 0.1766 0.8192 0.8982 0.0560 0.0095 -0.0016 284 PHE C CD1 ? ? 1 +10545 C CD2 . PHE C 262 0.1747 0.8325 0.9110 0.0646 0.0073 -0.0034 284 PHE C CD2 ? ? 1 +10546 C CE1 . PHE C 262 0.1755 0.8126 0.8935 0.0551 0.0049 0.0007 284 PHE C CE1 ? ? 1 +10547 C CE2 . PHE C 262 0.1744 0.8259 0.9061 0.0638 0.0025 -0.0009 284 PHE C CE2 ? ? 1 +10548 C CZ . PHE C 262 0.1744 0.8157 0.8972 0.0589 0.0016 0.0012 284 PHE C CZ ? ? 1 +10549 C C . PHE C 262 0.1864 0.8411 0.9154 0.0614 0.0256 -0.0095 284 PHE C C ? ? 1 +10550 O O . PHE C 262 0.1848 0.8372 0.9099 0.0561 0.0277 -0.0088 284 PHE C O ? ? 1 +10551 N N . ILE C 263 0.1877 0.8506 0.9242 0.0663 0.0284 -0.0121 285 ILE C N ? ? 1 +10552 C CA . ILE C 263 0.1887 0.8572 0.9284 0.0655 0.0347 -0.0143 285 ILE C CA ? ? 1 +10553 C CB . ILE C 263 0.1898 0.8698 0.9406 0.0715 0.0371 -0.0172 285 ILE C CB ? ? 1 +10554 C CG1 . ILE C 263 0.1812 0.8747 0.9447 0.0711 0.0342 -0.0171 285 ILE C CG1 ? ? 1 +10555 C CG2 . ILE C 263 0.1924 0.8763 0.9450 0.0710 0.0441 -0.0195 285 ILE C CG2 ? ? 1 +10556 C CD1 . ILE C 263 0.1829 0.8872 0.9573 0.0779 0.0344 -0.0198 285 ILE C CD1 ? ? 1 +10557 C C . ILE C 263 0.1972 0.8533 0.9248 0.0651 0.0377 -0.0147 285 ILE C C ? ? 1 +10558 O O . ILE C 263 0.1971 0.8526 0.9219 0.0609 0.0416 -0.0148 285 ILE C O ? ? 1 +10559 N N . ALA C 264 0.2052 0.8510 0.9251 0.0696 0.0360 -0.0149 286 ALA C N ? ? 1 +10560 C CA . ALA C 264 0.2145 0.8476 0.9223 0.0694 0.0382 -0.0154 286 ALA C CA ? ? 1 +10561 C CB . ALA C 264 0.2235 0.8461 0.9243 0.0746 0.0355 -0.0157 286 ALA C CB ? ? 1 +10562 C C . ALA C 264 0.2126 0.8382 0.9120 0.0626 0.0370 -0.0134 286 ALA C C ? ? 1 +10563 O O . ALA C 264 0.2178 0.8378 0.9101 0.0606 0.0405 -0.0141 286 ALA C O ? ? 1 +10564 N N A THR C 265 0.2057 0.8309 0.9058 0.0593 0.0321 -0.0109 287 THR C N ? ? 1 +10565 N N B THR C 265 0.2057 0.8309 0.9058 0.0593 0.0321 -0.0109 287 THR C N ? ? 1 +10566 C CA A THR C 265 0.2029 0.8223 0.8965 0.0530 0.0305 -0.0089 287 THR C CA ? ? 1 +10567 C CA B THR C 265 0.2031 0.8224 0.8966 0.0530 0.0305 -0.0089 287 THR C CA ? ? 1 +10568 C C A THR C 265 0.1988 0.8243 0.8948 0.0487 0.0346 -0.0092 287 THR C C ? ? 1 +10569 C C B THR C 265 0.1991 0.8245 0.8951 0.0487 0.0346 -0.0092 287 THR C C ? ? 1 +10570 O O A THR C 265 0.2025 0.8208 0.8900 0.0456 0.0362 -0.0090 287 THR C O ? ? 1 +10571 O O B THR C 265 0.2026 0.8209 0.8902 0.0456 0.0362 -0.0090 287 THR C O ? ? 1 +10572 C CB A THR C 265 0.1955 0.8158 0.8914 0.0507 0.0250 -0.0064 287 THR C CB ? ? 1 +10573 C CB B THR C 265 0.1956 0.8158 0.8915 0.0506 0.0249 -0.0063 287 THR C CB ? ? 1 +10574 O OG1 A THR C 265 0.2009 0.8127 0.8920 0.0541 0.0214 -0.0059 287 THR C OG1 ? ? 1 +10575 O OG1 B THR C 265 0.2008 0.8127 0.8919 0.0541 0.0214 -0.0059 287 THR C OG1 ? ? 1 +10576 C CG2 A THR C 265 0.1913 0.8079 0.8826 0.0442 0.0234 -0.0044 287 THR C CG2 ? ? 1 +10577 C CG2 B THR C 265 0.1916 0.8080 0.8826 0.0442 0.0234 -0.0044 287 THR C CG2 ? ? 1 +10578 N N A CYS C 266 0.1921 0.8306 0.8995 0.0487 0.0364 -0.0097 288 CYS C N ? ? 1 +10579 N N B CYS C 266 0.1926 0.8311 0.9000 0.0487 0.0364 -0.0097 288 CYS C N ? ? 1 +10580 C CA A CYS C 266 0.1884 0.8333 0.8991 0.0446 0.0406 -0.0099 288 CYS C CA ? ? 1 +10581 C CA B CYS C 266 0.1891 0.8339 0.8997 0.0446 0.0406 -0.0099 288 CYS C CA ? ? 1 +10582 C C A CYS C 266 0.1960 0.8393 0.9034 0.0462 0.0469 -0.0122 288 CYS C C ? ? 1 +10583 C C B CYS C 266 0.1963 0.8396 0.9037 0.0462 0.0469 -0.0122 288 CYS C C ? ? 1 +10584 O O A CYS C 266 0.1973 0.8386 0.9003 0.0424 0.0503 -0.0121 288 CYS C O ? ? 1 +10585 O O B CYS C 266 0.1975 0.8388 0.9005 0.0425 0.0503 -0.0121 288 CYS C O ? ? 1 +10586 C CB A CYS C 266 0.1797 0.8388 0.9039 0.0439 0.0405 -0.0100 288 CYS C CB ? ? 1 +10587 C CB B CYS C 266 0.1807 0.8397 0.9047 0.0439 0.0405 -0.0100 288 CYS C CB ? ? 1 +10588 S SG A CYS C 266 0.1706 0.8316 0.8977 0.0407 0.0338 -0.0071 288 CYS C SG ? ? 1 +10589 S SG B CYS C 266 0.1724 0.8330 0.8991 0.0405 0.0338 -0.0071 288 CYS C SG ? ? 1 +10590 N N . PHE C 267 0.2016 0.8455 0.9108 0.0522 0.0486 -0.0144 289 PHE C N ? ? 1 +10591 C CA . PHE C 267 0.2097 0.8515 0.9153 0.0545 0.0546 -0.0167 289 PHE C CA ? ? 1 +10592 C CB . PHE C 267 0.2155 0.8588 0.9244 0.0618 0.0556 -0.0190 289 PHE C CB ? ? 1 +10593 C CG . PHE C 267 0.2149 0.8713 0.9353 0.0642 0.0609 -0.0215 289 PHE C CG ? ? 1 +10594 C CD1 . PHE C 267 0.2197 0.8769 0.9383 0.0631 0.0679 -0.0231 289 PHE C CD1 ? ? 1 +10595 C CD2 . PHE C 267 0.2100 0.8781 0.9430 0.0677 0.0591 -0.0223 289 PHE C CD2 ? ? 1 +10596 C CE1 . PHE C 267 0.2197 0.8893 0.9494 0.0651 0.0732 -0.0256 289 PHE C CE1 ? ? 1 +10597 C CE2 . PHE C 267 0.2091 0.8901 0.9536 0.0699 0.0639 -0.0249 289 PHE C CE2 ? ? 1 +10598 C CZ . PHE C 267 0.2139 0.8959 0.9571 0.0685 0.0711 -0.0265 289 PHE C CZ ? ? 1 +10599 C C . PHE C 267 0.2165 0.8443 0.9074 0.0524 0.0553 -0.0163 289 PHE C C ? ? 1 +10600 O O . PHE C 267 0.2194 0.8461 0.9065 0.0499 0.0600 -0.0168 289 PHE C O ? ? 1 +10601 N N A VAL C 268 0.2200 0.8371 0.9028 0.0533 0.0505 -0.0153 290 VAL C N ? ? 1 +10602 N N B VAL C 268 0.2201 0.8371 0.9028 0.0533 0.0506 -0.0153 290 VAL C N ? ? 1 +10603 C CA A VAL C 268 0.2279 0.8315 0.8967 0.0517 0.0505 -0.0153 290 VAL C CA ? ? 1 +10604 C CA B VAL C 268 0.2279 0.8315 0.8968 0.0517 0.0505 -0.0153 290 VAL C CA ? ? 1 +10605 C C A VAL C 268 0.2225 0.8243 0.8874 0.0452 0.0494 -0.0133 290 VAL C C ? ? 1 +10606 C C B VAL C 268 0.2224 0.8241 0.8872 0.0452 0.0495 -0.0133 290 VAL C C ? ? 1 +10607 O O A VAL C 268 0.2293 0.8228 0.8841 0.0433 0.0511 -0.0136 290 VAL C O ? ? 1 +10608 O O B VAL C 268 0.2293 0.8227 0.8839 0.0434 0.0512 -0.0137 290 VAL C O ? ? 1 +10609 C CB A VAL C 268 0.2337 0.8265 0.8954 0.0541 0.0457 -0.0150 290 VAL C CB ? ? 1 +10610 C CB B VAL C 268 0.2340 0.8267 0.8956 0.0542 0.0457 -0.0150 290 VAL C CB ? ? 1 +10611 C CG1 A VAL C 268 0.2259 0.8186 0.8895 0.0509 0.0395 -0.0124 290 VAL C CG1 ? ? 1 +10612 C CG1 B VAL C 268 0.2265 0.8189 0.8899 0.0511 0.0395 -0.0124 290 VAL C CG1 ? ? 1 +10613 C CG2 A VAL C 268 0.2446 0.8238 0.8923 0.0536 0.0465 -0.0159 290 VAL C CG2 ? ? 1 +10614 C CG2 B VAL C 268 0.2450 0.8241 0.8926 0.0536 0.0465 -0.0159 290 VAL C CG2 ? ? 1 +10615 N N A TRP C 269 0.2106 0.8202 0.8833 0.0420 0.0466 -0.0114 291 TRP C N ? ? 1 +10616 N N B TRP C 269 0.2103 0.8197 0.8828 0.0420 0.0467 -0.0114 291 TRP C N ? ? 1 +10617 C CA A TRP C 269 0.2054 0.8135 0.8747 0.0361 0.0453 -0.0095 291 TRP C CA ? ? 1 +10618 C CA B TRP C 269 0.2049 0.8130 0.8742 0.0361 0.0455 -0.0095 291 TRP C CA ? ? 1 +10619 C C A TRP C 269 0.2047 0.8176 0.8752 0.0335 0.0509 -0.0099 291 TRP C C ? ? 1 +10620 C C B TRP C 269 0.2040 0.8171 0.8747 0.0335 0.0511 -0.0099 291 TRP C C ? ? 1 +10621 O O A TRP C 269 0.2072 0.8145 0.8700 0.0298 0.0514 -0.0090 291 TRP C O ? ? 1 +10622 O O B TRP C 269 0.2067 0.8142 0.8696 0.0298 0.0515 -0.0091 291 TRP C O ? ? 1 +10623 C CB A TRP C 269 0.1947 0.8087 0.8712 0.0336 0.0405 -0.0073 291 TRP C CB ? ? 1 +10624 C CB B TRP C 269 0.1941 0.8081 0.8707 0.0337 0.0406 -0.0073 291 TRP C CB ? ? 1 +10625 C CG A TRP C 269 0.1911 0.8011 0.8624 0.0282 0.0378 -0.0052 291 TRP C CG ? ? 1 +10626 C CG B TRP C 269 0.1904 0.8004 0.8617 0.0283 0.0379 -0.0053 291 TRP C CG ? ? 1 +10627 C CD1 A TRP C 269 0.1835 0.7999 0.8594 0.0241 0.0380 -0.0038 291 TRP C CD1 ? ? 1 +10628 C CD1 B TRP C 269 0.1828 0.7992 0.8587 0.0242 0.0381 -0.0039 291 TRP C CD1 ? ? 1 +10629 C CD2 A TRP C 269 0.1956 0.7942 0.8561 0.0265 0.0345 -0.0045 291 TRP C CD2 ? ? 1 +10630 C CD2 B TRP C 269 0.1947 0.7934 0.8553 0.0266 0.0346 -0.0046 291 TRP C CD2 ? ? 1 +10631 N NE1 A TRP C 269 0.1831 0.7929 0.8518 0.0202 0.0350 -0.0022 291 TRP C NE1 ? ? 1 +10632 N NE1 B TRP C 269 0.1824 0.7922 0.8511 0.0203 0.0351 -0.0023 291 TRP C NE1 ? ? 1 +10633 C CE2 A TRP C 269 0.1902 0.7894 0.8497 0.0216 0.0327 -0.0027 291 TRP C CE2 ? ? 1 +10634 C CE2 B TRP C 269 0.1894 0.7886 0.8489 0.0217 0.0329 -0.0028 291 TRP C CE2 ? ? 1 +10635 C CE3 A TRP C 269 0.2041 0.7920 0.8558 0.0286 0.0328 -0.0055 291 TRP C CE3 ? ? 1 +10636 C CE3 B TRP C 269 0.2030 0.7911 0.8549 0.0287 0.0329 -0.0055 291 TRP C CE3 ? ? 1 +10637 C CZ2 A TRP C 269 0.1924 0.7828 0.8430 0.0189 0.0293 -0.0018 291 TRP C CZ2 ? ? 1 +10638 C CZ2 B TRP C 269 0.1914 0.7818 0.8420 0.0190 0.0294 -0.0019 291 TRP C CZ2 ? ? 1 +10639 C CZ3 A TRP C 269 0.2065 0.7856 0.8495 0.0256 0.0294 -0.0047 291 TRP C CZ3 ? ? 1 +10640 C CZ3 B TRP C 269 0.2054 0.7846 0.8485 0.0257 0.0294 -0.0047 291 TRP C CZ3 ? ? 1 +10641 C CH2 A TRP C 269 0.2005 0.7812 0.8432 0.0209 0.0276 -0.0029 291 TRP C CH2 ? ? 1 +10642 C CH2 B TRP C 269 0.1995 0.7802 0.8423 0.0210 0.0277 -0.0030 291 TRP C CH2 ? ? 1 +10643 N N A PHE C 270 0.2016 0.8250 0.8820 0.0354 0.0552 -0.0113 292 PHE C N ? ? 1 +10644 N N B PHE C 270 0.2008 0.8245 0.8815 0.0353 0.0553 -0.0113 292 PHE C N ? ? 1 +10645 C CA A PHE C 270 0.1996 0.8289 0.8830 0.0323 0.0606 -0.0116 292 PHE C CA ? ? 1 +10646 C CA B PHE C 270 0.1990 0.8285 0.8825 0.0323 0.0608 -0.0116 292 PHE C CA ? ? 1 +10647 C C A PHE C 270 0.2084 0.8367 0.8890 0.0350 0.0676 -0.0140 292 PHE C C ? ? 1 +10648 C C B PHE C 270 0.2078 0.8365 0.8888 0.0350 0.0677 -0.0141 292 PHE C C ? ? 1 +10649 O O A PHE C 270 0.2129 0.8387 0.8882 0.0323 0.0721 -0.0141 292 PHE C O ? ? 1 +10650 O O B PHE C 270 0.2121 0.8388 0.8883 0.0323 0.0724 -0.0141 292 PHE C O ? ? 1 +10651 C CB A PHE C 270 0.1893 0.8327 0.8872 0.0313 0.0606 -0.0114 292 PHE C CB ? ? 1 +10652 C CB B PHE C 270 0.1886 0.8321 0.8866 0.0312 0.0608 -0.0114 292 PHE C CB ? ? 1 +10653 C CG A PHE C 270 0.1798 0.8249 0.8801 0.0273 0.0553 -0.0088 292 PHE C CG ? ? 1 +10654 C CG B PHE C 270 0.1788 0.8241 0.8792 0.0272 0.0556 -0.0089 292 PHE C CG ? ? 1 +10655 C CD1 A PHE C 270 0.1776 0.8210 0.8742 0.0221 0.0559 -0.0073 292 PHE C CD1 ? ? 1 +10656 C CD1 B PHE C 270 0.1769 0.8202 0.8733 0.0220 0.0562 -0.0073 292 PHE C CD1 ? ? 1 +10657 C CD2 A PHE C 270 0.1736 0.8217 0.8794 0.0291 0.0498 -0.0081 292 PHE C CD2 ? ? 1 +10658 C CD2 B PHE C 270 0.1725 0.8209 0.8784 0.0289 0.0500 -0.0081 292 PHE C CD2 ? ? 1 +10659 C CE1 A PHE C 270 0.1692 0.8142 0.8681 0.0187 0.0511 -0.0050 292 PHE C CE1 ? ? 1 +10660 C CE1 B PHE C 270 0.1685 0.8134 0.8671 0.0186 0.0515 -0.0051 292 PHE C CE1 ? ? 1 +10661 C CE2 A PHE C 270 0.1655 0.8151 0.8733 0.0255 0.0451 -0.0058 292 PHE C CE2 ? ? 1 +10662 C CE2 B PHE C 270 0.1645 0.8142 0.8722 0.0253 0.0454 -0.0058 292 PHE C CE2 ? ? 1 +10663 C CZ A PHE C 270 0.1631 0.8114 0.8676 0.0204 0.0459 -0.0044 292 PHE C CZ ? ? 1 +10664 C CZ B PHE C 270 0.1623 0.8105 0.8666 0.0202 0.0462 -0.0044 292 PHE C CZ ? ? 1 +10665 N N A ASN C 271 0.2113 0.8414 0.8953 0.0405 0.0685 -0.0160 293 ASN C N ? ? 1 +10666 N N B ASN C 271 0.2110 0.8411 0.8951 0.0405 0.0686 -0.0161 293 ASN C N ? ? 1 +10667 C CA A ASN C 271 0.2184 0.8504 0.9028 0.0434 0.0755 -0.0186 293 ASN C CA ? ? 1 +10668 C CA B ASN C 271 0.2180 0.8500 0.9024 0.0435 0.0756 -0.0186 293 ASN C CA ? ? 1 +10669 C C A ASN C 271 0.2300 0.8480 0.8993 0.0447 0.0772 -0.0193 293 ASN C C ? ? 1 +10670 C C B ASN C 271 0.2298 0.8477 0.8990 0.0447 0.0772 -0.0193 293 ASN C C ? ? 1 +10671 O O A ASN C 271 0.2336 0.8425 0.8957 0.0469 0.0728 -0.0192 293 ASN C O ? ? 1 +10672 O O B ASN C 271 0.2333 0.8421 0.8953 0.0468 0.0728 -0.0192 293 ASN C O ? ? 1 +10673 C CB A ASN C 271 0.2174 0.8578 0.9122 0.0492 0.0760 -0.0206 293 ASN C CB ? ? 1 +10674 C CB B ASN C 271 0.2168 0.8572 0.9116 0.0493 0.0760 -0.0206 293 ASN C CB ? ? 1 +10675 C CG A ASN C 271 0.2236 0.8687 0.9215 0.0520 0.0837 -0.0234 293 ASN C CG ? ? 1 +10676 C CG B ASN C 271 0.2230 0.8680 0.9209 0.0520 0.0837 -0.0234 293 ASN C CG ? ? 1 +10677 O OD1 A ASN C 271 0.2339 0.8700 0.9220 0.0545 0.0868 -0.0247 293 ASN C OD1 ? ? 1 +10678 O OD1 B ASN C 271 0.2331 0.8693 0.9213 0.0545 0.0868 -0.0247 293 ASN C OD1 ? ? 1 +10679 N ND2 A ASN C 271 0.2178 0.8769 0.9293 0.0516 0.0869 -0.0245 293 ASN C ND2 ? ? 1 +10680 N ND2 B ASN C 271 0.2171 0.8763 0.9286 0.0516 0.0869 -0.0245 293 ASN C ND2 ? ? 1 +10681 N N . ASN C 272 0.2365 0.8526 0.9008 0.0434 0.0837 -0.0202 294 ASN C N ? ? 1 +10682 C CA . ASN C 272 0.2488 0.8518 0.8983 0.0445 0.0858 -0.0211 294 ASN C CA ? ? 1 +10683 C CB . ASN C 272 0.2512 0.8473 0.8908 0.0392 0.0861 -0.0193 294 ASN C CB ? ? 1 +10684 C CG . ASN C 272 0.2501 0.8534 0.8942 0.0358 0.0924 -0.0192 294 ASN C CG ? ? 1 +10685 O OD1 . ASN C 272 0.2485 0.8627 0.9038 0.0372 0.0973 -0.0207 294 ASN C OD1 ? ? 1 +10686 N ND2 . ASN C 272 0.2520 0.8492 0.8875 0.0314 0.0926 -0.0175 294 ASN C ND2 ? ? 1 +10687 C C . ASN C 272 0.2575 0.8618 0.9070 0.0486 0.0933 -0.0240 294 ASN C C ? ? 1 +10688 O O . ASN C 272 0.2689 0.8634 0.9062 0.0489 0.0967 -0.0248 294 ASN C O ? ? 1 +10689 N N . THR C 273 0.2528 0.8692 0.9157 0.0518 0.0956 -0.0255 295 THR C N ? ? 1 +10690 C CA . THR C 273 0.2599 0.8794 0.9251 0.0562 0.1025 -0.0285 295 THR C CA ? ? 1 +10691 C CB . THR C 273 0.2525 0.8887 0.9341 0.0557 0.1071 -0.0296 295 THR C CB ? ? 1 +10692 O OG1 . THR C 273 0.2486 0.8874 0.9304 0.0495 0.1100 -0.0281 295 THR C OG1 ? ? 1 +10693 C CG2 . THR C 273 0.2604 0.9011 0.9456 0.0603 0.1147 -0.0328 295 THR C CG2 ? ? 1 +10694 C C . THR C 273 0.2651 0.8802 0.9286 0.0628 0.0999 -0.0301 295 THR C C ? ? 1 +10695 O O . THR C 273 0.2765 0.8824 0.9299 0.0659 0.1029 -0.0318 295 THR C O ? ? 1 +10696 N N . VAL C 274 0.2577 0.8790 0.9306 0.0650 0.0945 -0.0297 296 VAL C N ? ? 1 +10697 C CA . VAL C 274 0.2633 0.8801 0.9346 0.0712 0.0915 -0.0309 296 VAL C CA ? ? 1 +10698 C CB . VAL C 274 0.2556 0.8856 0.9425 0.0751 0.0894 -0.0316 296 VAL C CB ? ? 1 +10699 C CG1 . VAL C 274 0.2550 0.8988 0.9539 0.0767 0.0965 -0.0340 296 VAL C CG1 ? ? 1 +10700 C CG2 . VAL C 274 0.2431 0.8783 0.9366 0.0712 0.0830 -0.0289 296 VAL C CG2 ? ? 1 +10701 C C . VAL C 274 0.2663 0.8693 0.9259 0.0702 0.0846 -0.0291 296 VAL C C ? ? 1 +10702 O O . VAL C 274 0.2727 0.8687 0.9279 0.0748 0.0820 -0.0300 296 VAL C O ? ? 1 +10703 N N . TYR C 275 0.2621 0.8616 0.9171 0.0641 0.0816 -0.0267 297 TYR C N ? ? 1 +10704 C CA . TYR C 275 0.2670 0.8524 0.9089 0.0623 0.0766 -0.0254 297 TYR C CA ? ? 1 +10705 C CB . TYR C 275 0.2564 0.8435 0.9023 0.0592 0.0693 -0.0228 297 TYR C CB ? ? 1 +10706 C CG . TYR C 275 0.2517 0.8447 0.9071 0.0633 0.0660 -0.0229 297 TYR C CG ? ? 1 +10707 C CD1 . TYR C 275 0.2574 0.8411 0.9069 0.0670 0.0622 -0.0233 297 TYR C CD1 ? ? 1 +10708 C CD2 . TYR C 275 0.2424 0.8500 0.9123 0.0638 0.0667 -0.0228 297 TYR C CD2 ? ? 1 +10709 C CE1 . TYR C 275 0.2547 0.8429 0.9119 0.0712 0.0591 -0.0233 297 TYR C CE1 ? ? 1 +10710 C CE2 . TYR C 275 0.2392 0.8520 0.9172 0.0681 0.0634 -0.0230 297 TYR C CE2 ? ? 1 +10711 C CZ . TYR C 275 0.2455 0.8484 0.9169 0.0720 0.0597 -0.0232 297 TYR C CZ ? ? 1 +10712 O OH . TYR C 275 0.2430 0.8504 0.9218 0.0764 0.0564 -0.0232 297 TYR C OH ? ? 1 +10713 C C . TYR C 275 0.2735 0.8522 0.9048 0.0582 0.0798 -0.0251 297 TYR C C ? ? 1 +10714 O O . TYR C 275 0.2676 0.8476 0.8988 0.0529 0.0781 -0.0231 297 TYR C O ? ? 1 +10715 N N . PRO C 276 0.2871 0.8581 0.9089 0.0607 0.0847 -0.0272 298 PRO C N ? ? 1 +10716 C CA . PRO C 276 0.2943 0.8584 0.9051 0.0572 0.0881 -0.0270 298 PRO C CA ? ? 1 +10717 C CB . PRO C 276 0.3084 0.8653 0.9107 0.0618 0.0935 -0.0299 298 PRO C CB ? ? 1 +10718 C CG . PRO C 276 0.3074 0.8715 0.9198 0.0675 0.0947 -0.0316 298 PRO C CG ? ? 1 +10719 C CD . PRO C 276 0.2967 0.8648 0.9170 0.0671 0.0874 -0.0299 298 PRO C CD ? ? 1 +10720 C C . PRO C 276 0.2952 0.8485 0.8951 0.0533 0.0819 -0.0252 298 PRO C C ? ? 1 +10721 O O . PRO C 276 0.2976 0.8431 0.8925 0.0547 0.0767 -0.0253 298 PRO C O ? ? 1 +10722 N N . SER C 277 0.2940 0.8470 0.8905 0.0483 0.0826 -0.0236 299 SER C N ? ? 1 +10723 C CA . SER C 277 0.2948 0.8392 0.8822 0.0445 0.0769 -0.0219 299 SER C CA ? ? 1 +10724 C CB . SER C 277 0.2892 0.8372 0.8770 0.0394 0.0781 -0.0199 299 SER C CB ? ? 1 +10725 O OG . SER C 277 0.2758 0.8367 0.8782 0.0377 0.0774 -0.0184 299 SER C OG ? ? 1 +10726 C C . SER C 277 0.3101 0.8397 0.8814 0.0460 0.0763 -0.0234 299 SER C C ? ? 1 +10727 O O . SER C 277 0.3126 0.8341 0.8768 0.0441 0.0703 -0.0228 299 SER C O ? ? 1 +10728 N N . GLU C 278 0.3219 0.8480 0.8876 0.0493 0.0826 -0.0257 300 GLU C N ? ? 1 +10729 C CA . GLU C 278 0.3370 0.8489 0.8876 0.0515 0.0824 -0.0276 300 GLU C CA ? ? 1 +10730 C CB . GLU C 278 0.3488 0.8592 0.8956 0.0557 0.0905 -0.0301 300 GLU C CB ? ? 1 +10731 C CG . GLU C 278 0.3511 0.8654 0.8972 0.0537 0.0978 -0.0298 300 GLU C CG ? ? 1 +10732 C CD . GLU C 278 0.3415 0.8712 0.9037 0.0540 0.1029 -0.0296 300 GLU C CD ? ? 1 +10733 O OE1 . GLU C 278 0.3282 0.8675 0.9029 0.0526 0.0989 -0.0281 300 GLU C OE1 ? ? 1 +10734 O OE2 . GLU C 278 0.3471 0.8793 0.9092 0.0554 0.1109 -0.0310 300 GLU C OE2 ? ? 1 +10735 C C . GLU C 278 0.3387 0.8447 0.8879 0.0540 0.0765 -0.0284 300 GLU C C ? ? 1 +10736 O O . GLU C 278 0.3487 0.8425 0.8855 0.0538 0.0732 -0.0293 300 GLU C O ? ? 1 +10737 N N . PHE C 279 0.3306 0.8449 0.8921 0.0564 0.0753 -0.0283 301 PHE C N ? ? 1 +10738 C CA . PHE C 279 0.3320 0.8408 0.8926 0.0590 0.0703 -0.0290 301 PHE C CA ? ? 1 +10739 C CB . PHE C 279 0.3336 0.8477 0.9020 0.0648 0.0738 -0.0306 301 PHE C CB ? ? 1 +10740 C CG . PHE C 279 0.3445 0.8577 0.9090 0.0686 0.0815 -0.0331 301 PHE C CG ? ? 1 +10741 C CD1 . PHE C 279 0.3579 0.8585 0.9072 0.0689 0.0834 -0.0347 301 PHE C CD1 ? ? 1 +10742 C CD2 . PHE C 279 0.3413 0.8664 0.9175 0.0719 0.0870 -0.0340 301 PHE C CD2 ? ? 1 +10743 C CE1 . PHE C 279 0.3684 0.8677 0.9136 0.0725 0.0909 -0.0370 301 PHE C CE1 ? ? 1 +10744 C CE2 . PHE C 279 0.3509 0.8753 0.9239 0.0754 0.0945 -0.0364 301 PHE C CE2 ? ? 1 +10745 C CZ . PHE C 279 0.3646 0.8759 0.9218 0.0756 0.0965 -0.0378 301 PHE C CZ ? ? 1 +10746 C C . PHE C 279 0.3202 0.8320 0.8870 0.0556 0.0631 -0.0266 301 PHE C C ? ? 1 +10747 O O . PHE C 279 0.3233 0.8262 0.8841 0.0551 0.0578 -0.0266 301 PHE C O ? ? 1 +10748 N N . TYR C 280 0.3064 0.8306 0.8853 0.0533 0.0632 -0.0246 302 TYR C N ? ? 1 +10749 C CA . TYR C 280 0.2944 0.8227 0.8803 0.0505 0.0570 -0.0222 302 TYR C CA ? ? 1 +10750 C CB . TYR C 280 0.2833 0.8258 0.8844 0.0517 0.0587 -0.0214 302 TYR C CB ? ? 1 +10751 C CG . TYR C 280 0.2860 0.8303 0.8920 0.0577 0.0598 -0.0231 302 TYR C CG ? ? 1 +10752 C CD1 . TYR C 280 0.2846 0.8257 0.8918 0.0594 0.0546 -0.0226 302 TYR C CD1 ? ? 1 +10753 C CD2 . TYR C 280 0.2906 0.8396 0.8997 0.0618 0.0663 -0.0252 302 TYR C CD2 ? ? 1 +10754 C CE1 . TYR C 280 0.2885 0.8304 0.8994 0.0653 0.0555 -0.0240 302 TYR C CE1 ? ? 1 +10755 C CE2 . TYR C 280 0.2937 0.8446 0.9075 0.0677 0.0672 -0.0268 302 TYR C CE2 ? ? 1 +10756 C CZ . TYR C 280 0.2928 0.8399 0.9072 0.0696 0.0616 -0.0262 302 TYR C CZ ? ? 1 +10757 O OH . TYR C 280 0.2968 0.8451 0.9152 0.0759 0.0622 -0.0277 302 TYR C OH ? ? 1 +10758 C C . TYR C 280 0.2888 0.8161 0.8715 0.0445 0.0537 -0.0202 302 TYR C C ? ? 1 +10759 O O . TYR C 280 0.2798 0.8091 0.8668 0.0418 0.0484 -0.0183 302 TYR C O ? ? 1 +10760 N N A GLY C 281 0.2945 0.8184 0.8694 0.0428 0.0571 -0.0206 303 GLY C N ? ? 1 +10761 N N B GLY C 281 0.2940 0.8179 0.8689 0.0429 0.0571 -0.0206 303 GLY C N ? ? 1 +10762 C CA A GLY C 281 0.2900 0.8137 0.8621 0.0378 0.0549 -0.0187 303 GLY C CA ? ? 1 +10763 C CA B GLY C 281 0.2891 0.8128 0.8612 0.0378 0.0549 -0.0187 303 GLY C CA ? ? 1 +10764 C C A GLY C 281 0.2789 0.8151 0.8620 0.0356 0.0577 -0.0169 303 GLY C C ? ? 1 +10765 C C B GLY C 281 0.2776 0.8137 0.8606 0.0356 0.0577 -0.0169 303 GLY C C ? ? 1 +10766 O O A GLY C 281 0.2728 0.8186 0.8671 0.0376 0.0601 -0.0171 303 GLY C O ? ? 1 +10767 O O B GLY C 281 0.2712 0.8169 0.8654 0.0376 0.0601 -0.0171 303 GLY C O ? ? 1 +10768 N N A PRO C 282 0.2757 0.8121 0.8560 0.0313 0.0571 -0.0153 304 PRO C N ? ? 1 +10769 N N B PRO C 282 0.2738 0.8102 0.8541 0.0313 0.0570 -0.0153 304 PRO C N ? ? 1 +10770 C CA A PRO C 282 0.2664 0.8136 0.8562 0.0289 0.0599 -0.0137 304 PRO C CA ? ? 1 +10771 C CA B PRO C 282 0.2640 0.8112 0.8538 0.0288 0.0598 -0.0137 304 PRO C CA ? ? 1 +10772 C C A PRO C 282 0.2527 0.8093 0.8553 0.0278 0.0557 -0.0121 304 PRO C C ? ? 1 +10773 C C B PRO C 282 0.2501 0.8067 0.8527 0.0278 0.0556 -0.0121 304 PRO C C ? ? 1 +10774 O O A PRO C 282 0.2505 0.8038 0.8526 0.0277 0.0499 -0.0116 304 PRO C O ? ? 1 +10775 O O B PRO C 282 0.2477 0.8011 0.8498 0.0275 0.0498 -0.0115 304 PRO C O ? ? 1 +10776 C CB A PRO C 282 0.2687 0.8107 0.8496 0.0249 0.0590 -0.0124 304 PRO C CB ? ? 1 +10777 C CB B PRO C 282 0.2665 0.8084 0.8473 0.0249 0.0589 -0.0123 304 PRO C CB ? ? 1 +10778 C CG A PRO C 282 0.2730 0.8049 0.8447 0.0245 0.0527 -0.0126 304 PRO C CG ? ? 1 +10779 C CG B PRO C 282 0.2707 0.8026 0.8425 0.0245 0.0526 -0.0126 304 PRO C CG ? ? 1 +10780 C CD A PRO C 282 0.2810 0.8073 0.8493 0.0287 0.0532 -0.0149 304 PRO C CD ? ? 1 +10781 C CD B PRO C 282 0.2790 0.8052 0.8472 0.0287 0.0531 -0.0149 304 PRO C CD ? ? 1 +10782 N N A THR C 283 0.2440 0.8120 0.8578 0.0271 0.0588 -0.0114 305 THR C N ? ? 1 +10783 N N B THR C 283 0.2411 0.8091 0.8549 0.0271 0.0589 -0.0114 305 THR C N ? ? 1 +10784 C CA A THR C 283 0.2308 0.8078 0.8560 0.0254 0.0549 -0.0097 305 THR C CA ? ? 1 +10785 C CA B THR C 283 0.2276 0.8047 0.8529 0.0255 0.0551 -0.0097 305 THR C CA ? ? 1 +10786 C C A THR C 283 0.2258 0.8007 0.8477 0.0207 0.0509 -0.0074 305 THR C C ? ? 1 +10787 C C B THR C 283 0.2222 0.7974 0.8445 0.0207 0.0510 -0.0074 305 THR C C ? ? 1 +10788 O O A THR C 283 0.2317 0.7998 0.8438 0.0188 0.0519 -0.0073 305 THR C O ? ? 1 +10789 O O B THR C 283 0.2281 0.7962 0.8403 0.0188 0.0517 -0.0072 305 THR C O ? ? 1 +10790 C CB A THR C 283 0.2241 0.8139 0.8620 0.0259 0.0593 -0.0099 305 THR C CB ? ? 1 +10791 C CB B THR C 283 0.2210 0.8108 0.8588 0.0259 0.0597 -0.0100 305 THR C CB ? ? 1 +10792 O OG1 A THR C 283 0.2239 0.8156 0.8605 0.0224 0.0634 -0.0092 305 THR C OG1 ? ? 1 +10793 O OG1 B THR C 283 0.2210 0.8125 0.8573 0.0225 0.0637 -0.0093 305 THR C OG1 ? ? 1 +10794 C CG2 A THR C 283 0.2299 0.8219 0.8706 0.0307 0.0639 -0.0124 305 THR C CG2 ? ? 1 +10795 C CG2 B THR C 283 0.2269 0.8190 0.8676 0.0308 0.0643 -0.0125 305 THR C CG2 ? ? 1 +10796 N N A GLY C 284 0.2149 0.7957 0.8449 0.0190 0.0464 -0.0057 306 GLY C N ? ? 1 +10797 N N B GLY C 284 0.2111 0.7924 0.8417 0.0190 0.0466 -0.0058 306 GLY C N ? ? 1 +10798 C CA A GLY C 284 0.2087 0.7898 0.8380 0.0146 0.0431 -0.0036 306 GLY C CA ? ? 1 +10799 C CA B GLY C 284 0.2045 0.7863 0.8345 0.0147 0.0432 -0.0036 306 GLY C CA ? ? 1 +10800 C C A GLY C 284 0.2082 0.7929 0.8379 0.0120 0.0477 -0.0030 306 GLY C C ? ? 1 +10801 C C B GLY C 284 0.2040 0.7891 0.8341 0.0120 0.0478 -0.0030 306 GLY C C ? ? 1 +10802 O O A GLY C 284 0.2118 0.7906 0.8330 0.0096 0.0474 -0.0022 306 GLY C O ? ? 1 +10803 O O B GLY C 284 0.2073 0.7866 0.8291 0.0096 0.0473 -0.0022 306 GLY C O ? ? 1 +10804 N N A PRO C 285 0.2042 0.7986 0.8436 0.0124 0.0522 -0.0034 307 PRO C N ? ? 1 +10805 N N B PRO C 285 0.2000 0.7948 0.8398 0.0124 0.0524 -0.0034 307 PRO C N ? ? 1 +10806 C CA A PRO C 285 0.2052 0.8025 0.8447 0.0099 0.0575 -0.0031 307 PRO C CA ? ? 1 +10807 C CA B PRO C 285 0.2014 0.7987 0.8408 0.0099 0.0577 -0.0031 307 PRO C CA ? ? 1 +10808 C C A PRO C 285 0.2175 0.8052 0.8442 0.0103 0.0616 -0.0040 307 PRO C C ? ? 1 +10809 C C B PRO C 285 0.2138 0.8014 0.8403 0.0103 0.0618 -0.0040 307 PRO C C ? ? 1 +10810 O O A PRO C 285 0.2206 0.8044 0.8407 0.0074 0.0630 -0.0029 307 PRO C O ? ? 1 +10811 O O B PRO C 285 0.2168 0.8006 0.8368 0.0074 0.0632 -0.0029 307 PRO C O ? ? 1 +10812 C CB A PRO C 285 0.2009 0.8096 0.8530 0.0114 0.0617 -0.0043 307 PRO C CB ? ? 1 +10813 C CB B PRO C 285 0.1971 0.8058 0.8490 0.0113 0.0620 -0.0043 307 PRO C CB ? ? 1 +10814 C CG A PRO C 285 0.1930 0.8067 0.8535 0.0134 0.0564 -0.0041 307 PRO C CG ? ? 1 +10815 C CG B PRO C 285 0.1890 0.8029 0.8496 0.0132 0.0567 -0.0041 307 PRO C CG ? ? 1 +10816 C CD A PRO C 285 0.1985 0.8017 0.8495 0.0152 0.0522 -0.0042 307 PRO C CD ? ? 1 +10817 C CD B PRO C 285 0.1943 0.7980 0.8457 0.0151 0.0525 -0.0043 307 PRO C CD ? ? 1 +10818 N N A GLU C 286 0.2253 0.8084 0.8477 0.0141 0.0633 -0.0060 308 GLU C N ? ? 1 +10819 N N B GLU C 286 0.2216 0.8047 0.8438 0.0141 0.0636 -0.0060 308 GLU C N ? ? 1 +10820 C CA A GLU C 286 0.2381 0.8122 0.8483 0.0151 0.0677 -0.0072 308 GLU C CA ? ? 1 +10821 C CA B GLU C 286 0.2344 0.8083 0.8443 0.0151 0.0679 -0.0072 308 GLU C CA ? ? 1 +10822 C C A GLU C 286 0.2434 0.8064 0.8405 0.0133 0.0636 -0.0062 308 GLU C C ? ? 1 +10823 C C B GLU C 286 0.2394 0.8023 0.8363 0.0132 0.0637 -0.0062 308 GLU C C ? ? 1 +10824 O O A GLU C 286 0.2501 0.8077 0.8384 0.0116 0.0665 -0.0057 308 GLU C O ? ? 1 +10825 O O B GLU C 286 0.2459 0.8036 0.8341 0.0115 0.0666 -0.0057 308 GLU C O ? ? 1 +10826 C CB A GLU C 286 0.2453 0.8166 0.8538 0.0198 0.0696 -0.0096 308 GLU C CB ? ? 1 +10827 C CB B GLU C 286 0.2415 0.8125 0.8496 0.0198 0.0696 -0.0096 308 GLU C CB ? ? 1 +10828 C CG A GLU C 286 0.2593 0.8213 0.8552 0.0213 0.0746 -0.0111 308 GLU C CG ? ? 1 +10829 C CG B GLU C 286 0.2556 0.8172 0.8511 0.0213 0.0745 -0.0111 308 GLU C CG ? ? 1 +10830 C CD A GLU C 286 0.2654 0.8283 0.8631 0.0259 0.0790 -0.0137 308 GLU C CD ? ? 1 +10831 C CD B GLU C 286 0.2615 0.8243 0.8591 0.0259 0.0790 -0.0137 308 GLU C CD ? ? 1 +10832 O OE1 A GLU C 286 0.2631 0.8266 0.8646 0.0289 0.0755 -0.0145 308 GLU C OE1 ? ? 1 +10833 O OE1 B GLU C 286 0.2590 0.8227 0.8607 0.0289 0.0754 -0.0145 308 GLU C OE1 ? ? 1 +10834 O OE2 A GLU C 286 0.2731 0.8358 0.8681 0.0266 0.0861 -0.0148 308 GLU C OE2 ? ? 1 +10835 O OE2 B GLU C 286 0.2693 0.8319 0.8642 0.0267 0.0861 -0.0149 308 GLU C OE2 ? ? 1 +10836 N N A ALA C 287 0.2407 0.8002 0.8364 0.0137 0.0568 -0.0059 309 ALA C N ? ? 1 +10837 N N B ALA C 287 0.2369 0.7962 0.8323 0.0136 0.0569 -0.0059 309 ALA C N ? ? 1 +10838 C CA A ALA C 287 0.2456 0.7953 0.8298 0.0122 0.0523 -0.0053 309 ALA C CA ? ? 1 +10839 C CA B ALA C 287 0.2414 0.7911 0.8255 0.0121 0.0522 -0.0053 309 ALA C CA ? ? 1 +10840 C C A ALA C 287 0.2415 0.7927 0.8251 0.0083 0.0516 -0.0032 309 ALA C C ? ? 1 +10841 C C B ALA C 287 0.2370 0.7882 0.8208 0.0082 0.0511 -0.0031 309 ALA C C ? ? 1 +10842 O O A ALA C 287 0.2496 0.7932 0.8222 0.0074 0.0523 -0.0029 309 ALA C O ? ? 1 +10843 O O B ALA C 287 0.2447 0.7882 0.8174 0.0072 0.0512 -0.0028 309 ALA C O ? ? 1 +10844 C CB A ALA C 287 0.2417 0.7893 0.8271 0.0126 0.0453 -0.0054 309 ALA C CB ? ? 1 +10845 C CB B ALA C 287 0.2380 0.7853 0.8231 0.0128 0.0454 -0.0055 309 ALA C CB ? ? 1 +10846 N N A SER C 288 0.2298 0.7908 0.8252 0.0064 0.0503 -0.0016 310 SER C N ? ? 1 +10847 N N B SER C 288 0.2254 0.7866 0.8211 0.0063 0.0501 -0.0016 310 SER C N ? ? 1 +10848 C CA A SER C 288 0.2254 0.7885 0.8214 0.0028 0.0496 0.0004 310 SER C CA ? ? 1 +10849 C CA B SER C 288 0.2208 0.7843 0.8174 0.0028 0.0494 0.0005 310 SER C CA ? ? 1 +10850 C C A SER C 288 0.2335 0.7941 0.8235 0.0017 0.0561 0.0006 310 SER C C ? ? 1 +10851 C C B SER C 288 0.2286 0.7897 0.8194 0.0016 0.0558 0.0006 310 SER C C ? ? 1 +10852 O O A SER C 288 0.2391 0.7928 0.8194 0.0002 0.0553 0.0015 310 SER C O ? ? 1 +10853 O O B SER C 288 0.2336 0.7884 0.8153 -0.0001 0.0549 0.0017 310 SER C O ? ? 1 +10854 C CB A SER C 288 0.2123 0.7867 0.8225 0.0012 0.0481 0.0017 310 SER C CB ? ? 1 +10855 C CB B SER C 288 0.2077 0.7825 0.8185 0.0013 0.0479 0.0017 310 SER C CB ? ? 1 +10856 O OG A SER C 288 0.2075 0.7835 0.8182 -0.0022 0.0466 0.0037 310 SER C OG ? ? 1 +10857 O OG B SER C 288 0.2029 0.7798 0.8148 -0.0021 0.0470 0.0036 310 SER C OG ? ? 1 +10858 N N A GLN C 289 0.2348 0.8009 0.8306 0.0027 0.0625 -0.0005 311 GLN C N ? ? 1 +10859 N N B GLN C 289 0.2307 0.7968 0.8266 0.0027 0.0623 -0.0005 311 GLN C N ? ? 1 +10860 C CA A GLN C 289 0.2435 0.8071 0.8337 0.0017 0.0697 -0.0006 311 GLN C CA ? ? 1 +10861 C CA B GLN C 289 0.2391 0.8028 0.8295 0.0017 0.0694 -0.0006 311 GLN C CA ? ? 1 +10862 C C A GLN C 289 0.2581 0.8085 0.8315 0.0030 0.0702 -0.0012 311 GLN C C ? ? 1 +10863 C C B GLN C 289 0.2539 0.8044 0.8275 0.0029 0.0701 -0.0012 311 GLN C C ? ? 1 +10864 O O A GLN C 289 0.2649 0.8094 0.8292 0.0013 0.0727 -0.0002 311 GLN C O ? ? 1 +10865 O O B GLN C 289 0.2605 0.8054 0.8253 0.0012 0.0727 -0.0002 311 GLN C O ? ? 1 +10866 C CB A GLN C 289 0.2437 0.8148 0.8423 0.0034 0.0765 -0.0024 311 GLN C CB ? ? 1 +10867 C CB B GLN C 289 0.2391 0.8105 0.8381 0.0033 0.0762 -0.0023 311 GLN C CB ? ? 1 +10868 C CG A GLN C 289 0.2312 0.8157 0.8461 0.0019 0.0768 -0.0020 311 GLN C CG ? ? 1 +10869 C CG B GLN C 289 0.2263 0.8111 0.8416 0.0018 0.0764 -0.0019 311 GLN C CG ? ? 1 +10870 C CD A GLN C 289 0.2296 0.8173 0.8465 -0.0022 0.0806 -0.0006 311 GLN C CD ? ? 1 +10871 C CD B GLN C 289 0.2244 0.8126 0.8421 -0.0022 0.0801 -0.0005 311 GLN C CD ? ? 1 +10872 O OE1 A GLN C 289 0.2372 0.8234 0.8507 -0.0029 0.0877 -0.0012 311 GLN C OE1 ? ? 1 +10873 O OE1 B GLN C 289 0.2309 0.8190 0.8468 -0.0030 0.0873 -0.0012 311 GLN C OE1 ? ? 1 +10874 N NE2 A GLN C 289 0.2206 0.8121 0.8427 -0.0049 0.0762 0.0012 311 GLN C NE2 ? ? 1 +10875 N NE2 B GLN C 289 0.2159 0.8070 0.8376 -0.0050 0.0755 0.0014 311 GLN C NE2 ? ? 1 +10876 N N A ALA C 290 0.2637 0.8090 0.8326 0.0061 0.0676 -0.0028 312 ALA C N ? ? 1 +10877 N N B ALA C 290 0.2600 0.8054 0.8289 0.0061 0.0678 -0.0028 312 ALA C N ? ? 1 +10878 C CA A ALA C 290 0.2785 0.8114 0.8318 0.0078 0.0680 -0.0039 312 ALA C CA ? ? 1 +10879 C CA B ALA C 290 0.2748 0.8077 0.8280 0.0078 0.0682 -0.0039 312 ALA C CA ? ? 1 +10880 C C A ALA C 290 0.2821 0.8072 0.8253 0.0061 0.0623 -0.0025 312 ALA C C ? ? 1 +10881 C C B ALA C 290 0.2787 0.8039 0.8219 0.0060 0.0626 -0.0025 312 ALA C C ? ? 1 +10882 O O A ALA C 290 0.2945 0.8091 0.8236 0.0069 0.0629 -0.0030 312 ALA C O ? ? 1 +10883 O O B ALA C 290 0.2912 0.8063 0.8204 0.0065 0.0640 -0.0027 312 ALA C O ? ? 1 +10884 C CB A ALA C 290 0.2819 0.8118 0.8339 0.0114 0.0661 -0.0061 312 ALA C CB ? ? 1 +10885 C CB B ALA C 290 0.2785 0.8081 0.8301 0.0113 0.0661 -0.0060 312 ALA C CB ? ? 1 +10886 N N A GLN C 291 0.2720 0.8023 0.8226 0.0040 0.0565 -0.0009 313 GLN C N ? ? 1 +10887 N N B GLN C 291 0.2690 0.7989 0.8191 0.0041 0.0564 -0.0010 313 GLN C N ? ? 1 +10888 C CA A GLN C 291 0.2747 0.7990 0.8173 0.0024 0.0511 0.0003 313 GLN C CA ? ? 1 +10889 C CA B GLN C 291 0.2719 0.7959 0.8141 0.0024 0.0511 0.0003 313 GLN C CA ? ? 1 +10890 C C A GLN C 291 0.2795 0.8022 0.8174 0.0002 0.0550 0.0020 313 GLN C C ? ? 1 +10891 C C B GLN C 291 0.2767 0.7992 0.8144 0.0003 0.0551 0.0020 313 GLN C C ? ? 1 +10892 O O A GLN C 291 0.2894 0.8027 0.8142 0.0003 0.0541 0.0024 313 GLN C O ? ? 1 +10893 O O B GLN C 291 0.2867 0.7999 0.8114 0.0003 0.0544 0.0024 313 GLN C O ? ? 1 +10894 C CB A GLN C 291 0.2620 0.7923 0.8137 0.0008 0.0441 0.0014 313 GLN C CB ? ? 1 +10895 C CB B GLN C 291 0.2591 0.7890 0.8103 0.0008 0.0440 0.0014 313 GLN C CB ? ? 1 +10896 C CG A GLN C 291 0.2630 0.7887 0.8079 -0.0010 0.0393 0.0029 313 GLN C CG ? ? 1 +10897 C CG B GLN C 291 0.2602 0.7854 0.8044 -0.0009 0.0391 0.0028 313 GLN C CG ? ? 1 +10898 C CD A GLN C 291 0.2533 0.7825 0.8043 -0.0020 0.0318 0.0034 313 GLN C CD ? ? 1 +10899 C CD B GLN C 291 0.2503 0.7792 0.8009 -0.0021 0.0317 0.0035 313 GLN C CD ? ? 1 +10900 O OE1 A GLN C 291 0.2579 0.7809 0.8018 -0.0015 0.0266 0.0026 313 GLN C OE1 ? ? 1 +10901 O OE1 B GLN C 291 0.2546 0.7775 0.7983 -0.0017 0.0264 0.0028 313 GLN C OE1 ? ? 1 +10902 N NE2 A GLN C 291 0.2406 0.7794 0.8044 -0.0035 0.0311 0.0046 313 GLN C NE2 ? ? 1 +10903 N NE2 B GLN C 291 0.2377 0.7764 0.8012 -0.0036 0.0312 0.0046 313 GLN C NE2 ? ? 1 +10904 N N A ALA C 292 0.2737 0.8052 0.8220 -0.0016 0.0594 0.0030 314 ALA C N ? ? 1 +10905 N N B ALA C 292 0.2709 0.8025 0.8193 -0.0016 0.0594 0.0030 314 ALA C N ? ? 1 +10906 C CA A ALA C 292 0.2777 0.8080 0.8226 -0.0040 0.0637 0.0046 314 ALA C CA ? ? 1 +10907 C CA B ALA C 292 0.2752 0.8056 0.8202 -0.0040 0.0638 0.0046 314 ALA C CA ? ? 1 +10908 C C A ALA C 292 0.2941 0.8150 0.8258 -0.0028 0.0700 0.0038 314 ALA C C ? ? 1 +10909 C C B ALA C 292 0.2918 0.8128 0.8236 -0.0028 0.0701 0.0038 314 ALA C C ? ? 1 +10910 O O A ALA C 292 0.3029 0.8156 0.8230 -0.0036 0.0708 0.0050 314 ALA C O ? ? 1 +10911 O O B ALA C 292 0.3005 0.8134 0.8208 -0.0036 0.0708 0.0050 314 ALA C O ? ? 1 +10912 C CB A ALA C 292 0.2676 0.8096 0.8270 -0.0063 0.0675 0.0053 314 ALA C CB ? ? 1 +10913 C CB B ALA C 292 0.2650 0.8071 0.8245 -0.0062 0.0677 0.0052 314 ALA C CB ? ? 1 +10914 N N A MET C 293 0.2991 0.8212 0.8324 -0.0006 0.0746 0.0018 315 MET C N ? ? 1 +10915 N N B MET C 293 0.2972 0.8192 0.8304 -0.0005 0.0746 0.0018 315 MET C N ? ? 1 +10916 C CA A MET C 293 0.3147 0.8284 0.8361 0.0009 0.0811 0.0008 315 MET C CA ? ? 1 +10917 C CA B MET C 293 0.3132 0.8266 0.8343 0.0010 0.0810 0.0007 315 MET C CA ? ? 1 +10918 C C A MET C 293 0.3262 0.8264 0.8303 0.0027 0.0772 0.0004 315 MET C C ? ? 1 +10919 C C B MET C 293 0.3248 0.8247 0.8286 0.0027 0.0770 0.0004 315 MET C C ? ? 1 +10920 O O A MET C 293 0.3389 0.8298 0.8297 0.0027 0.0808 0.0009 315 MET C O ? ? 1 +10921 O O B MET C 293 0.3373 0.8280 0.8279 0.0027 0.0806 0.0009 315 MET C O ? ? 1 +10922 C CB A MET C 293 0.3163 0.8345 0.8438 0.0035 0.0854 -0.0016 315 MET C CB ? ? 1 +10923 C CB B MET C 293 0.3149 0.8327 0.8421 0.0036 0.0852 -0.0017 315 MET C CB ? ? 1 +10924 C CG A MET C 293 0.3334 0.8415 0.8473 0.0061 0.0903 -0.0033 315 MET C CG ? ? 1 +10925 C CG B MET C 293 0.3321 0.8402 0.8461 0.0062 0.0906 -0.0033 315 MET C CG ? ? 1 +10926 S SD A MET C 293 0.3416 0.8529 0.8576 0.0053 0.1025 -0.0038 315 MET C SD ? ? 1 +10927 S SD B MET C 293 0.3393 0.8517 0.8568 0.0053 0.1025 -0.0039 315 MET C SD ? ? 1 +10928 C CE A MET C 293 0.3410 0.8514 0.8548 0.0007 0.1038 -0.0008 315 MET C CE ? ? 1 +10929 C CE B MET C 293 0.3399 0.8502 0.8535 0.0009 0.1038 -0.0009 315 MET C CE ? ? 1 +10930 N N A THR C 294 0.3219 0.8210 0.8262 0.0041 0.0696 -0.0004 316 THR C N ? ? 1 +10931 N N B THR C 294 0.3206 0.8193 0.8245 0.0042 0.0695 -0.0005 316 THR C N ? ? 1 +10932 C CA A THR C 294 0.3321 0.8193 0.8213 0.0059 0.0651 -0.0012 316 THR C CA ? ? 1 +10933 C CA B THR C 294 0.3308 0.8177 0.8196 0.0059 0.0648 -0.0012 316 THR C CA ? ? 1 +10934 C C A THR C 294 0.3356 0.8166 0.8152 0.0043 0.0625 0.0008 316 THR C C ? ? 1 +10935 C C B THR C 294 0.3342 0.8150 0.8136 0.0043 0.0624 0.0008 316 THR C C ? ? 1 +10936 O O A THR C 294 0.3494 0.8191 0.8134 0.0056 0.0634 0.0005 316 THR C O ? ? 1 +10937 O O B THR C 294 0.3478 0.8175 0.8117 0.0056 0.0634 0.0005 316 THR C O ? ? 1 +10938 C CB A THR C 294 0.3261 0.8147 0.8195 0.0070 0.0574 -0.0024 316 THR C CB ? ? 1 +10939 C CB B THR C 294 0.3243 0.8129 0.8177 0.0070 0.0571 -0.0024 316 THR C CB ? ? 1 +10940 O OG1 A THR C 294 0.3263 0.8173 0.8243 0.0093 0.0603 -0.0045 316 THR C OG1 ? ? 1 +10941 O OG1 B THR C 294 0.3240 0.8153 0.8224 0.0092 0.0600 -0.0044 316 THR C OG1 ? ? 1 +10942 C CG2 A THR C 294 0.3356 0.8133 0.8150 0.0081 0.0512 -0.0032 316 THR C CG2 ? ? 1 +10943 C CG2 B THR C 294 0.3339 0.8115 0.8133 0.0082 0.0508 -0.0033 316 THR C CG2 ? ? 1 +10944 N N A PHE C 295 0.3236 0.8117 0.8125 0.0017 0.0593 0.0028 317 PHE C N ? ? 1 +10945 N N B PHE C 295 0.3226 0.8105 0.8113 0.0017 0.0592 0.0027 317 PHE C N ? ? 1 +10946 C CA A PHE C 295 0.3262 0.8092 0.8074 0.0004 0.0561 0.0047 317 PHE C CA ? ? 1 +10947 C CA B PHE C 295 0.3255 0.8085 0.8066 0.0004 0.0561 0.0047 317 PHE C CA ? ? 1 +10948 C C A PHE C 295 0.3324 0.8125 0.8084 -0.0012 0.0633 0.0063 317 PHE C C ? ? 1 +10949 C C B PHE C 295 0.3319 0.8120 0.8079 -0.0012 0.0633 0.0063 317 PHE C C ? ? 1 +10950 O O A PHE C 295 0.3406 0.8123 0.8048 -0.0013 0.0623 0.0076 317 PHE C O ? ? 1 +10951 O O B PHE C 295 0.3400 0.8117 0.8041 -0.0013 0.0623 0.0076 317 PHE C O ? ? 1 +10952 C CB A PHE C 295 0.3119 0.8032 0.8045 -0.0015 0.0495 0.0059 317 PHE C CB ? ? 1 +10953 C CB B PHE C 295 0.3111 0.8024 0.8037 -0.0015 0.0495 0.0059 317 PHE C CB ? ? 1 +10954 C CG A PHE C 295 0.3104 0.8001 0.8022 0.0000 0.0415 0.0045 317 PHE C CG ? ? 1 +10955 C CG B PHE C 295 0.3095 0.7991 0.8012 0.0000 0.0414 0.0045 317 PHE C CG ? ? 1 +10956 C CD1 A PHE C 295 0.3188 0.7997 0.7983 0.0010 0.0361 0.0043 317 PHE C CD1 ? ? 1 +10957 C CD1 B PHE C 295 0.3175 0.7986 0.7973 0.0009 0.0360 0.0044 317 PHE C CD1 ? ? 1 +10958 C CD2 A PHE C 295 0.3020 0.7983 0.8043 0.0005 0.0396 0.0031 317 PHE C CD2 ? ? 1 +10959 C CD2 B PHE C 295 0.3015 0.7975 0.8035 0.0005 0.0395 0.0031 317 PHE C CD2 ? ? 1 +10960 C CE1 A PHE C 295 0.3180 0.7976 0.7971 0.0021 0.0290 0.0026 317 PHE C CE1 ? ? 1 +10961 C CE1 B PHE C 295 0.3168 0.7966 0.7961 0.0019 0.0287 0.0028 317 PHE C CE1 ? ? 1 +10962 C CE2 A PHE C 295 0.3018 0.7958 0.8028 0.0015 0.0327 0.0017 317 PHE C CE2 ? ? 1 +10963 C CE2 B PHE C 295 0.3013 0.7951 0.8020 0.0015 0.0326 0.0017 317 PHE C CE2 ? ? 1 +10964 C CZ A PHE C 295 0.3095 0.7956 0.7993 0.0021 0.0275 0.0014 317 PHE C CZ ? ? 1 +10965 C CZ B PHE C 295 0.3088 0.7948 0.7985 0.0020 0.0272 0.0015 317 PHE C CZ ? ? 1 +10966 N N . LEU C 296 0.3285 0.8154 0.8134 -0.0023 0.0707 0.0062 318 LEU C N ? ? 1 +10967 C CA . LEU C 296 0.3362 0.8196 0.8156 -0.0039 0.0788 0.0073 318 LEU C CA ? ? 1 +10968 C CB . LEU C 296 0.3296 0.8238 0.8230 -0.0055 0.0859 0.0068 318 LEU C CB ? ? 1 +10969 C CG . LEU C 296 0.3374 0.8296 0.8274 -0.0079 0.0950 0.0078 318 LEU C CG ? ? 1 +10970 C CD1 . LEU C 296 0.3261 0.8318 0.8337 -0.0105 0.0995 0.0077 318 LEU C CD1 ? ? 1 +10971 C CD2 . LEU C 296 0.3535 0.8366 0.8310 -0.0058 0.1016 0.0065 318 LEU C CD2 ? ? 1 +10972 C C . LEU C 296 0.3534 0.8233 0.8144 -0.0014 0.0819 0.0063 318 LEU C C ? ? 1 +10973 O O . LEU C 296 0.3639 0.8244 0.8119 -0.0017 0.0837 0.0077 318 LEU C O ? ? 1 +10974 N N . ILE C 297 0.3566 0.8251 0.8160 0.0014 0.0821 0.0040 319 ILE C N ? ? 1 +10975 C CA . ILE C 297 0.3745 0.8303 0.8166 0.0040 0.0851 0.0028 319 ILE C CA ? ? 1 +10976 C CB . ILE C 297 0.3763 0.8331 0.8205 0.0069 0.0861 -0.0001 319 ILE C CB ? ? 1 +10977 C CG1 . ILE C 297 0.3711 0.8380 0.8282 0.0062 0.0941 -0.0008 319 ILE C CG1 ? ? 1 +10978 C CG2 . ILE C 297 0.3949 0.8376 0.8199 0.0099 0.0875 -0.0016 319 ILE C CG2 ? ? 1 +10979 C CD1 . ILE C 297 0.3689 0.8394 0.8320 0.0089 0.0937 -0.0034 319 ILE C CD1 ? ? 1 +10980 C C . ILE C 297 0.3838 0.8281 0.8105 0.0055 0.0782 0.0032 319 ILE C C ? ? 1 +10981 O O . ILE C 297 0.3986 0.8315 0.8093 0.0063 0.0812 0.0038 319 ILE C O ? ? 1 +10982 N N . ARG C 298 0.3756 0.8229 0.8069 0.0058 0.0690 0.0029 320 ARG C N ? ? 1 +10983 C CA . ARG C 298 0.3831 0.8211 0.8016 0.0072 0.0617 0.0030 320 ARG C CA ? ? 1 +10984 C CB . ARG C 298 0.3705 0.8149 0.7984 0.0070 0.0522 0.0024 320 ARG C CB ? ? 1 +10985 C CG . ARG C 298 0.3796 0.8144 0.7942 0.0088 0.0445 0.0017 320 ARG C CG ? ? 1 +10986 C CD . ARG C 298 0.3674 0.8086 0.7909 0.0078 0.0356 0.0019 320 ARG C CD ? ? 1 +10987 N NE . ARG C 298 0.3591 0.8056 0.7890 0.0056 0.0351 0.0045 320 ARG C NE ? ? 1 +10988 C CZ . ARG C 298 0.3498 0.8014 0.7863 0.0046 0.0279 0.0052 320 ARG C CZ ? ? 1 +10989 N NH1 . ARG C 298 0.3511 0.8011 0.7856 0.0058 0.0202 0.0035 320 ARG C NH1 ? ? 1 +10990 N NH2 . ARG C 298 0.3402 0.7983 0.7850 0.0023 0.0286 0.0075 320 ARG C NH2 ? ? 1 +10991 C C . ARG C 298 0.3886 0.8217 0.7996 0.0058 0.0627 0.0056 320 ARG C C ? ? 1 +10992 O O . ARG C 298 0.4045 0.8254 0.7983 0.0075 0.0625 0.0058 320 ARG C O ? ? 1 +10993 N N . ASP C 299 0.3768 0.8190 0.8002 0.0028 0.0637 0.0076 321 ASP C N ? ? 1 +10994 C CA . ASP C 299 0.3797 0.8181 0.7975 0.0014 0.0633 0.0101 321 ASP C CA ? ? 1 +10995 C CB . ASP C 299 0.3624 0.8129 0.7969 -0.0016 0.0613 0.0117 321 ASP C CB ? ? 1 +10996 C CG . ASP C 299 0.3499 0.8067 0.7930 -0.0011 0.0516 0.0110 321 ASP C CG ? ? 1 +10997 O OD1 . ASP C 299 0.3543 0.8063 0.7908 0.0013 0.0465 0.0092 321 ASP C OD1 ? ? 1 +10998 O OD2 . ASP C 299 0.3357 0.8022 0.7921 -0.0034 0.0494 0.0122 321 ASP C OD2 ? ? 1 +10999 C C . ASP C 299 0.3943 0.8244 0.8009 0.0009 0.0725 0.0112 321 ASP C C ? ? 1 +11000 O O . ASP C 299 0.4061 0.8260 0.7988 0.0014 0.0721 0.0127 321 ASP C O ? ? 1 +11001 N N . GLN C 300 0.3951 0.8291 0.8071 0.0000 0.0808 0.0103 322 GLN C N ? ? 1 +11002 C CA . GLN C 300 0.4091 0.8356 0.8110 -0.0007 0.0904 0.0111 322 GLN C CA ? ? 1 +11003 C CB . GLN C 300 0.4053 0.8406 0.8190 -0.0020 0.0989 0.0099 322 GLN C CB ? ? 1 +11004 C CG . GLN C 300 0.4198 0.8485 0.8247 -0.0034 0.1095 0.0107 322 GLN C CG ? ? 1 +11005 C CD . GLN C 300 0.4140 0.8539 0.8338 -0.0058 0.1180 0.0098 322 GLN C CD ? ? 1 +11006 O OE1 . GLN C 300 0.4129 0.8568 0.8385 -0.0094 0.1234 0.0112 322 GLN C OE1 ? ? 1 +11007 N NE2 . GLN C 300 0.4115 0.8567 0.8376 -0.0037 0.1196 0.0073 322 GLN C NE2 ? ? 1 +11008 C C . GLN C 300 0.4286 0.8396 0.8091 0.0027 0.0905 0.0104 322 GLN C C ? ? 1 +11009 O O . GLN C 300 0.4423 0.8426 0.8086 0.0025 0.0946 0.0120 322 GLN C O ? ? 1 +11010 N N . LYS C 301 0.4312 0.8404 0.8089 0.0057 0.0861 0.0079 323 LYS C N ? ? 1 +11011 C CA . LYS C 301 0.4503 0.8450 0.8078 0.0092 0.0846 0.0069 323 LYS C CA ? ? 1 +11012 C CB . LYS C 301 0.4492 0.8446 0.8077 0.0119 0.0793 0.0039 323 LYS C CB ? ? 1 +11013 C CG . LYS C 301 0.4503 0.8492 0.8139 0.0126 0.0859 0.0018 323 LYS C CG ? ? 1 +11014 C CD . LYS C 301 0.4508 0.8487 0.8137 0.0154 0.0799 -0.0011 323 LYS C CD ? ? 1 +11015 C CE . LYS C 301 0.4505 0.8529 0.8201 0.0164 0.0858 -0.0033 323 LYS C CE ? ? 1 +11016 N NZ . LYS C 301 0.4507 0.8518 0.8198 0.0189 0.0793 -0.0060 323 LYS C NZ ? ? 1 +11017 C C . LYS C 301 0.4584 0.8438 0.8029 0.0102 0.0778 0.0084 323 LYS C C ? ? 1 +11018 O O . LYS C 301 0.4775 0.8491 0.8029 0.0125 0.0789 0.0085 323 LYS C O ? ? 1 +11019 N N . LEU C 302 0.4452 0.8381 0.8000 0.0089 0.0704 0.0094 324 LEU C N ? ? 1 +11020 C CA . LEU C 302 0.4507 0.8366 0.7955 0.0100 0.0637 0.0109 324 LEU C CA ? ? 1 +11021 C CB . LEU C 302 0.4342 0.8305 0.7929 0.0093 0.0542 0.0107 324 LEU C CB ? ? 1 +11022 C CG . LEU C 302 0.4304 0.8293 0.7922 0.0112 0.0470 0.0077 324 LEU C CG ? ? 1 +11023 C CD1 . LEU C 302 0.4130 0.8229 0.7899 0.0099 0.0391 0.0078 324 LEU C CD1 ? ? 1 +11024 C CD2 . LEU C 302 0.4473 0.8329 0.7899 0.0148 0.0421 0.0064 324 LEU C CD2 ? ? 1 +11025 C C . LEU C 302 0.4569 0.8379 0.7958 0.0082 0.0689 0.0139 324 LEU C C ? ? 1 +11026 O O . LEU C 302 0.4644 0.8381 0.7930 0.0094 0.0641 0.0153 324 LEU C O ? ? 1 +11027 N N . GLY C 303 0.4533 0.8388 0.7992 0.0052 0.0783 0.0149 325 GLY C N ? ? 1 +11028 C CA . GLY C 303 0.4601 0.8399 0.7996 0.0031 0.0846 0.0176 325 GLY C CA ? ? 1 +11029 C C . GLY C 303 0.4442 0.8356 0.8007 -0.0010 0.0861 0.0193 325 GLY C C ? ? 1 +11030 O O . GLY C 303 0.4502 0.8371 0.8020 -0.0030 0.0905 0.0216 325 GLY C O ? ? 1 +11031 N N . ALA C 304 0.4250 0.8310 0.8007 -0.0023 0.0825 0.0182 326 ALA C N ? ? 1 +11032 C CA . ALA C 304 0.4104 0.8277 0.8023 -0.0061 0.0838 0.0196 326 ALA C CA ? ? 1 +11033 C CB . ALA C 304 0.3912 0.8221 0.8008 -0.0063 0.0768 0.0184 326 ALA C CB ? ? 1 +11034 C C . ALA C 304 0.4109 0.8324 0.8094 -0.0092 0.0947 0.0196 326 ALA C C ? ? 1 +11035 O O . ALA C 304 0.4142 0.8369 0.8136 -0.0084 0.0995 0.0178 326 ALA C O ? ? 1 +11036 N N . ASN C 305 0.4085 0.8320 0.8111 -0.0127 0.0986 0.0217 327 ASN C N ? ? 1 +11037 C CA . ASN C 305 0.4035 0.8350 0.8177 -0.0166 0.1075 0.0215 327 ASN C CA ? ? 1 +11038 C CB . ASN C 305 0.4127 0.8380 0.8208 -0.0198 0.1132 0.0240 327 ASN C CB ? ? 1 +11039 C CG . ASN C 305 0.4361 0.8441 0.8220 -0.0184 0.1178 0.0251 327 ASN C CG ? ? 1 +11040 O OD1 . ASN C 305 0.4471 0.8454 0.8218 -0.0188 0.1173 0.0273 327 ASN C OD1 ? ? 1 +11041 N ND2 . ASN C 305 0.4472 0.8505 0.8257 -0.0166 0.1228 0.0236 327 ASN C ND2 ? ? 1 +11042 C C . ASN C 305 0.3806 0.8291 0.8170 -0.0183 0.1038 0.0206 327 ASN C C ? ? 1 +11043 O O . ASN C 305 0.3706 0.8241 0.8146 -0.0204 0.1004 0.0220 327 ASN C O ? ? 1 +11044 N N . VAL C 306 0.3731 0.8298 0.8191 -0.0171 0.1044 0.0183 328 VAL C N ? ? 1 +11045 C CA . VAL C 306 0.3537 0.8253 0.8191 -0.0179 0.0999 0.0173 328 VAL C CA ? ? 1 +11046 C CB . VAL C 306 0.3514 0.8271 0.8209 -0.0150 0.0995 0.0147 328 VAL C CB ? ? 1 +11047 C CG1 . VAL C 306 0.3591 0.8250 0.8152 -0.0111 0.0929 0.0141 328 VAL C CG1 ? ? 1 +11048 C CG2 . VAL C 306 0.3595 0.8351 0.8285 -0.0154 0.1096 0.0133 328 VAL C CG2 ? ? 1 +11049 C C . VAL C 306 0.3433 0.8260 0.8241 -0.0221 0.1047 0.0178 328 VAL C C ? ? 1 +11050 O O . VAL C 306 0.3282 0.8217 0.8233 -0.0232 0.1000 0.0178 328 VAL C O ? ? 1 +11051 N N . GLY C 307 0.3520 0.8320 0.8298 -0.0247 0.1142 0.0181 329 GLY C N ? ? 1 +11052 C CA . GLY C 307 0.3431 0.8333 0.8351 -0.0291 0.1191 0.0183 329 GLY C CA ? ? 1 +11053 C C . GLY C 307 0.3374 0.8275 0.8311 -0.0318 0.1157 0.0205 329 GLY C C ? ? 1 +11054 O O . GLY C 307 0.3239 0.8255 0.8331 -0.0345 0.1149 0.0204 329 GLY C O ? ? 1 +11055 N N . SER C 308 0.3484 0.8251 0.8256 -0.0308 0.1133 0.0225 330 SER C N ? ? 1 +11056 C CA . SER C 308 0.3461 0.8204 0.8221 -0.0330 0.1105 0.0248 330 SER C CA ? ? 1 +11057 C CB . SER C 308 0.3647 0.8237 0.8225 -0.0338 0.1158 0.0267 330 SER C CB ? ? 1 +11058 O OG . SER C 308 0.3785 0.8255 0.8194 -0.0298 0.1150 0.0266 330 SER C OG ? ? 1 +11059 C C . SER C 308 0.3377 0.8122 0.8135 -0.0303 0.0997 0.0255 330 SER C C ? ? 1 +11060 O O . SER C 308 0.3360 0.8085 0.8106 -0.0317 0.0970 0.0273 330 SER C O ? ? 1 +11061 N N . ALA C 309 0.3327 0.8099 0.8101 -0.0268 0.0939 0.0240 331 ALA C N ? ? 1 +11062 C CA . ALA C 309 0.3257 0.8033 0.8029 -0.0244 0.0838 0.0244 331 ALA C CA ? ? 1 +11063 C CB . ALA C 309 0.3270 0.8029 0.8001 -0.0205 0.0794 0.0226 331 ALA C CB ? ? 1 +11064 C C . ALA C 309 0.3075 0.7987 0.8028 -0.0264 0.0799 0.0243 331 ALA C C ? ? 1 +11065 O O . ALA C 309 0.2967 0.7987 0.8053 -0.0265 0.0795 0.0227 331 ALA C O ? ? 1 +11066 N N . GLN C 310 0.3053 0.7952 0.8002 -0.0278 0.0770 0.0262 332 GLN C N ? ? 1 +11067 C CA . GLN C 310 0.2889 0.7903 0.7991 -0.0296 0.0728 0.0264 332 GLN C CA ? ? 1 +11068 C CB . GLN C 310 0.2915 0.7888 0.7984 -0.0320 0.0735 0.0286 332 GLN C CB ? ? 1 +11069 C CG . GLN C 310 0.2772 0.7836 0.7965 -0.0334 0.0682 0.0291 332 GLN C CG ? ? 1 +11070 C CD . GLN C 310 0.2827 0.7820 0.7948 -0.0346 0.0679 0.0313 332 GLN C CD ? ? 1 +11071 O OE1 . GLN C 310 0.2977 0.7845 0.7948 -0.0342 0.0710 0.0325 332 GLN C OE1 ? ? 1 +11072 N NE2 . GLN C 310 0.2717 0.7781 0.7937 -0.0361 0.0642 0.0318 332 GLN C NE2 ? ? 1 +11073 C C . GLN C 310 0.2808 0.7852 0.7936 -0.0266 0.0635 0.0259 332 GLN C C ? ? 1 +11074 O O . GLN C 310 0.2883 0.7841 0.7893 -0.0240 0.0590 0.0264 332 GLN C O ? ? 1 +11075 N N A GLY C 311 0.2664 0.7830 0.7946 -0.0270 0.0608 0.0247 333 GLY C N ? ? 1 +11076 N N B GLY C 311 0.2661 0.7828 0.7943 -0.0270 0.0608 0.0247 333 GLY C N ? ? 1 +11077 C CA A GLY C 311 0.2577 0.7785 0.7904 -0.0248 0.0525 0.0241 333 GLY C CA ? ? 1 +11078 C CA B GLY C 311 0.2574 0.7782 0.7900 -0.0248 0.0526 0.0241 333 GLY C CA ? ? 1 +11079 C C A GLY C 311 0.2490 0.7737 0.7873 -0.0258 0.0473 0.0255 333 GLY C C ? ? 1 +11080 C C B GLY C 311 0.2485 0.7732 0.7868 -0.0258 0.0472 0.0255 333 GLY C C ? ? 1 +11081 O O A GLY C 311 0.2483 0.7736 0.7886 -0.0284 0.0502 0.0268 333 GLY C O ? ? 1 +11082 O O B GLY C 311 0.2475 0.7730 0.7880 -0.0284 0.0501 0.0268 333 GLY C O ? ? 1 +11083 N N A PRO C 312 0.2424 0.7698 0.7835 -0.0240 0.0396 0.0252 334 PRO C N ? ? 1 +11084 N N B PRO C 312 0.2417 0.7691 0.7827 -0.0239 0.0396 0.0252 334 PRO C N ? ? 1 +11085 C CA A PRO C 312 0.2346 0.7652 0.7801 -0.0245 0.0344 0.0264 334 PRO C CA ? ? 1 +11086 C CA B PRO C 312 0.2336 0.7643 0.7792 -0.0245 0.0343 0.0264 334 PRO C CA ? ? 1 +11087 C C A PRO C 312 0.2237 0.7636 0.7822 -0.0277 0.0363 0.0270 334 PRO C C ? ? 1 +11088 C C B PRO C 312 0.2226 0.7625 0.7812 -0.0276 0.0362 0.0270 334 PRO C C ? ? 1 +11089 O O A PRO C 312 0.2214 0.7610 0.7803 -0.0288 0.0348 0.0284 334 PRO C O ? ? 1 +11090 O O B PRO C 312 0.2206 0.7601 0.7793 -0.0286 0.0345 0.0284 334 PRO C O ? ? 1 +11091 C CB A PRO C 312 0.2279 0.7623 0.7775 -0.0224 0.0273 0.0253 334 PRO C CB ? ? 1 +11092 C CB B PRO C 312 0.2270 0.7616 0.7768 -0.0224 0.0273 0.0252 334 PRO C CB ? ? 1 +11093 C CG A PRO C 312 0.2368 0.7654 0.7781 -0.0201 0.0279 0.0238 334 PRO C CG ? ? 1 +11094 C CG B PRO C 312 0.2361 0.7647 0.7774 -0.0201 0.0279 0.0238 334 PRO C CG ? ? 1 +11095 C CD A PRO C 312 0.2420 0.7696 0.7824 -0.0214 0.0360 0.0235 334 PRO C CD ? ? 1 +11096 C CD B PRO C 312 0.2415 0.7689 0.7816 -0.0213 0.0360 0.0234 334 PRO C CD ? ? 1 +11097 N N A THR C 313 0.2173 0.7654 0.7865 -0.0288 0.0395 0.0258 335 THR C N ? ? 1 +11098 N N B THR C 313 0.2161 0.7642 0.7852 -0.0288 0.0395 0.0258 335 THR C N ? ? 1 +11099 C CA A THR C 313 0.2069 0.7646 0.7891 -0.0316 0.0410 0.0260 335 THR C CA ? ? 1 +11100 C CA B THR C 313 0.2056 0.7632 0.7876 -0.0316 0.0410 0.0260 335 THR C CA ? ? 1 +11101 C C A THR C 313 0.2121 0.7677 0.7927 -0.0346 0.0478 0.0267 335 THR C C ? ? 1 +11102 C C B THR C 313 0.2106 0.7660 0.7910 -0.0346 0.0478 0.0267 335 THR C C ? ? 1 +11103 O O A THR C 313 0.2048 0.7667 0.7943 -0.0373 0.0489 0.0270 335 THR C O ? ? 1 +11104 O O B THR C 313 0.2033 0.7649 0.7924 -0.0373 0.0488 0.0271 335 THR C O ? ? 1 +11105 C CB A THR C 313 0.1986 0.7658 0.7924 -0.0313 0.0415 0.0243 335 THR C CB ? ? 1 +11106 C CB B THR C 313 0.1972 0.7644 0.7911 -0.0314 0.0414 0.0243 335 THR C CB ? ? 1 +11107 O OG1 A THR C 313 0.2071 0.7715 0.7970 -0.0308 0.0470 0.0231 335 THR C OG1 ? ? 1 +11108 O OG1 B THR C 313 0.2054 0.7704 0.7961 -0.0311 0.0472 0.0232 335 THR C OG1 ? ? 1 +11109 C CG2 A THR C 313 0.1924 0.7622 0.7891 -0.0289 0.0348 0.0237 335 THR C CG2 ? ? 1 +11110 C CG2 B THR C 313 0.1917 0.7612 0.7880 -0.0289 0.0349 0.0237 335 THR C CG2 ? ? 1 +11111 N N A GLY C 314 0.2255 0.7717 0.7943 -0.0343 0.0525 0.0268 336 GLY C N ? ? 1 +11112 N N B GLY C 314 0.2235 0.7698 0.7923 -0.0343 0.0526 0.0268 336 GLY C N ? ? 1 +11113 C CA A GLY C 314 0.2327 0.7765 0.7996 -0.0374 0.0600 0.0273 336 GLY C CA ? ? 1 +11114 C CA B GLY C 314 0.2307 0.7744 0.7976 -0.0374 0.0602 0.0272 336 GLY C CA ? ? 1 +11115 C C A GLY C 314 0.2343 0.7821 0.8058 -0.0381 0.0664 0.0255 336 GLY C C ? ? 1 +11116 C C B GLY C 314 0.2320 0.7798 0.8035 -0.0382 0.0666 0.0255 336 GLY C C ? ? 1 +11117 O O A GLY C 314 0.2440 0.7871 0.8103 -0.0400 0.0734 0.0257 336 GLY C O ? ? 1 +11118 O O B GLY C 314 0.2418 0.7848 0.8079 -0.0400 0.0735 0.0256 336 GLY C O ? ? 1 +11119 N N A LEU C 315 0.2256 0.7819 0.8067 -0.0366 0.0641 0.0239 337 LEU C N ? ? 1 +11120 N N B LEU C 315 0.2230 0.7795 0.8043 -0.0366 0.0643 0.0239 337 LEU C N ? ? 1 +11121 C CA A LEU C 315 0.2279 0.7874 0.8122 -0.0360 0.0691 0.0221 337 LEU C CA ? ? 1 +11122 C CA B LEU C 315 0.2254 0.7848 0.8096 -0.0360 0.0693 0.0221 337 LEU C CA ? ? 1 +11123 C C A LEU C 315 0.2412 0.7896 0.8107 -0.0333 0.0704 0.0219 337 LEU C C ? ? 1 +11124 C C B LEU C 315 0.2386 0.7869 0.8079 -0.0333 0.0706 0.0219 337 LEU C C ? ? 1 +11125 O O A LEU C 315 0.2457 0.7864 0.8052 -0.0312 0.0654 0.0228 337 LEU C O ? ? 1 +11126 O O B LEU C 315 0.2429 0.7836 0.8024 -0.0312 0.0656 0.0228 337 LEU C O ? ? 1 +11127 C CB A LEU C 315 0.2161 0.7864 0.8132 -0.0344 0.0654 0.0206 337 LEU C CB ? ? 1 +11128 C CB B LEU C 315 0.2135 0.7837 0.8105 -0.0344 0.0656 0.0205 337 LEU C CB ? ? 1 +11129 C CG A LEU C 315 0.2042 0.7865 0.8168 -0.0368 0.0649 0.0202 337 LEU C CG ? ? 1 +11130 C CG B LEU C 315 0.2017 0.7840 0.8143 -0.0368 0.0652 0.0202 337 LEU C CG ? ? 1 +11131 C CD1 A LEU C 315 0.1936 0.7843 0.8162 -0.0345 0.0599 0.0191 337 LEU C CD1 ? ? 1 +11132 C CD1 B LEU C 315 0.1911 0.7819 0.8138 -0.0345 0.0602 0.0191 337 LEU C CD1 ? ? 1 +11133 C CD2 A LEU C 315 0.2059 0.7933 0.8250 -0.0395 0.0726 0.0191 337 LEU C CD2 ? ? 1 +11134 C CD2 B LEU C 315 0.2034 0.7907 0.8224 -0.0395 0.0730 0.0190 337 LEU C CD2 ? ? 1 +11135 N N A GLY C 316 0.2486 0.7963 0.8167 -0.0333 0.0771 0.0207 338 GLY C N ? ? 1 +11136 N N B GLY C 316 0.2460 0.7934 0.8138 -0.0334 0.0774 0.0207 338 GLY C N ? ? 1 +11137 C CA A GLY C 316 0.2620 0.7989 0.8156 -0.0308 0.0790 0.0203 338 GLY C CA ? ? 1 +11138 C CA B GLY C 316 0.2591 0.7959 0.8126 -0.0308 0.0792 0.0203 338 GLY C CA ? ? 1 +11139 C C A GLY C 316 0.2589 0.7953 0.8110 -0.0270 0.0722 0.0194 338 GLY C C ? ? 1 +11140 C C B GLY C 316 0.2557 0.7921 0.8078 -0.0270 0.0723 0.0194 338 GLY C C ? ? 1 +11141 O O A GLY C 316 0.2478 0.7937 0.8119 -0.0263 0.0690 0.0183 338 GLY C O ? ? 1 +11142 O O B GLY C 316 0.2444 0.7904 0.8086 -0.0264 0.0691 0.0183 338 GLY C O ? ? 1 +11143 N N A LYS C 317 0.2696 0.7946 0.8067 -0.0246 0.0700 0.0198 339 LYS C N ? ? 1 +11144 N N B LYS C 317 0.2662 0.7912 0.8033 -0.0246 0.0700 0.0198 339 LYS C N ? ? 1 +11145 C CA A LYS C 317 0.2683 0.7916 0.8026 -0.0213 0.0636 0.0188 339 LYS C CA ? ? 1 +11146 C CA B LYS C 317 0.2647 0.7881 0.7990 -0.0213 0.0636 0.0188 339 LYS C CA ? ? 1 +11147 C C A LYS C 317 0.2695 0.7954 0.8065 -0.0195 0.0666 0.0165 339 LYS C C ? ? 1 +11148 C C B LYS C 317 0.2657 0.7916 0.8028 -0.0195 0.0665 0.0165 339 LYS C C ? ? 1 +11149 O O A LYS C 317 0.2620 0.7928 0.8054 -0.0178 0.0621 0.0153 339 LYS C O ? ? 1 +11150 O O B LYS C 317 0.2577 0.7889 0.8017 -0.0178 0.0621 0.0153 339 LYS C O ? ? 1 +11151 C CB A LYS C 317 0.2810 0.7913 0.7981 -0.0192 0.0606 0.0195 339 LYS C CB ? ? 1 +11152 C CB B LYS C 317 0.2772 0.7875 0.7943 -0.0192 0.0606 0.0195 339 LYS C CB ? ? 1 +11153 C CG A LYS C 317 0.2785 0.7877 0.7936 -0.0164 0.0523 0.0186 339 LYS C CG ? ? 1 +11154 C CG B LYS C 317 0.2744 0.7838 0.7897 -0.0164 0.0522 0.0187 339 LYS C CG ? ? 1 +11155 C CD A LYS C 317 0.2906 0.7877 0.7893 -0.0143 0.0488 0.0192 339 LYS C CD ? ? 1 +11156 C CD B LYS C 317 0.2868 0.7839 0.7855 -0.0143 0.0488 0.0192 339 LYS C CD ? ? 1 +11157 C CE A LYS C 317 0.2908 0.7853 0.7865 -0.0155 0.0469 0.0214 339 LYS C CE ? ? 1 +11158 C CE B LYS C 317 0.2876 0.7815 0.7825 -0.0154 0.0469 0.0214 339 LYS C CE ? ? 1 +11159 N NZ A LYS C 317 0.3055 0.7871 0.7836 -0.0132 0.0449 0.0220 339 LYS C NZ ? ? 1 +11160 N NZ B LYS C 317 0.3024 0.7834 0.7796 -0.0130 0.0449 0.0219 339 LYS C NZ ? ? 1 +11161 N N A TYR C 318 0.2794 0.8017 0.8115 -0.0199 0.0746 0.0160 340 TYR C N ? ? 1 +11162 N N B TYR C 318 0.2761 0.7981 0.8078 -0.0198 0.0744 0.0160 340 TYR C N ? ? 1 +11163 C CA A TYR C 318 0.2828 0.8062 0.8158 -0.0179 0.0782 0.0139 340 TYR C CA ? ? 1 +11164 C CA B TYR C 318 0.2795 0.8027 0.8122 -0.0178 0.0781 0.0138 340 TYR C CA ? ? 1 +11165 C C A TYR C 318 0.2761 0.8105 0.8231 -0.0198 0.0846 0.0129 340 TYR C C ? ? 1 +11166 C C B TYR C 318 0.2731 0.8071 0.8196 -0.0197 0.0845 0.0129 340 TYR C C ? ? 1 +11167 O O A TYR C 318 0.2698 0.8114 0.8259 -0.0183 0.0845 0.0111 340 TYR C O ? ? 1 +11168 O O B TYR C 318 0.2673 0.8082 0.8224 -0.0181 0.0846 0.0111 340 TYR C O ? ? 1 +11169 C CB A TYR C 318 0.3005 0.8110 0.8162 -0.0163 0.0826 0.0136 340 TYR C CB ? ? 1 +11170 C CB B TYR C 318 0.2973 0.8076 0.8127 -0.0162 0.0825 0.0136 340 TYR C CB ? ? 1 +11171 C CG A TYR C 318 0.3087 0.8079 0.8096 -0.0143 0.0766 0.0145 340 TYR C CG ? ? 1 +11172 C CG B TYR C 318 0.3053 0.8043 0.8060 -0.0143 0.0765 0.0145 340 TYR C CG ? ? 1 +11173 C CD2 A TYR C 318 0.3160 0.8072 0.8067 -0.0155 0.0767 0.0165 340 TYR C CD2 ? ? 1 +11174 C CD2 B TYR C 318 0.3060 0.8022 0.8028 -0.0112 0.0704 0.0131 340 TYR C CD2 ? ? 1 +11175 C CD1 A TYR C 318 0.3093 0.8057 0.8064 -0.0112 0.0706 0.0131 340 TYR C CD1 ? ? 1 +11176 C CD1 B TYR C 318 0.3128 0.8037 0.8032 -0.0155 0.0768 0.0165 340 TYR C CD1 ? ? 1 +11177 C CE2 A TYR C 318 0.3237 0.8049 0.8010 -0.0133 0.0708 0.0171 340 TYR C CE2 ? ? 1 +11178 C CE2 B TYR C 318 0.3135 0.8001 0.7975 -0.0094 0.0646 0.0135 340 TYR C CE2 ? ? 1 +11179 C CE1 A TYR C 318 0.3169 0.8036 0.8010 -0.0094 0.0647 0.0135 340 TYR C CE1 ? ? 1 +11180 C CE1 B TYR C 318 0.3205 0.8015 0.7976 -0.0133 0.0709 0.0171 340 TYR C CE1 ? ? 1 +11181 C CZ A TYR C 318 0.3239 0.8033 0.7983 -0.0103 0.0647 0.0155 340 TYR C CZ ? ? 1 +11182 C CZ B TYR C 318 0.3206 0.7998 0.7948 -0.0103 0.0646 0.0156 340 TYR C CZ ? ? 1 +11183 O OH A TYR C 318 0.3314 0.8016 0.7932 -0.0081 0.0586 0.0158 340 TYR C OH ? ? 1 +11184 O OH B TYR C 318 0.3279 0.7980 0.7896 -0.0081 0.0585 0.0159 340 TYR C OH ? ? 1 +11185 N N A LEU C 319 0.2777 0.8131 0.8262 -0.0233 0.0899 0.0140 341 LEU C N ? ? 1 +11186 N N B LEU C 319 0.2744 0.8098 0.8229 -0.0232 0.0898 0.0140 341 LEU C N ? ? 1 +11187 C CA A LEU C 319 0.2731 0.8185 0.8342 -0.0255 0.0965 0.0129 341 LEU C CA ? ? 1 +11188 C CA B LEU C 319 0.2698 0.8152 0.8309 -0.0254 0.0964 0.0129 341 LEU C CA ? ? 1 +11189 C C A LEU C 319 0.2627 0.8160 0.8348 -0.0293 0.0957 0.0141 341 LEU C C ? ? 1 +11190 C C B LEU C 319 0.2595 0.8128 0.8315 -0.0292 0.0957 0.0141 341 LEU C C ? ? 1 +11191 O O A LEU C 319 0.2650 0.8126 0.8307 -0.0310 0.0938 0.0161 341 LEU C O ? ? 1 +11192 O O B LEU C 319 0.2623 0.8097 0.8277 -0.0310 0.0941 0.0161 341 LEU C O ? ? 1 +11193 C CB A LEU C 319 0.2875 0.8263 0.8398 -0.0266 0.1059 0.0127 341 LEU C CB ? ? 1 +11194 C CB B LEU C 319 0.2842 0.8230 0.8365 -0.0264 0.1058 0.0126 341 LEU C CB ? ? 1 +11195 C CG A LEU C 319 0.2987 0.8301 0.8407 -0.0230 0.1082 0.0112 341 LEU C CG ? ? 1 +11196 C CG B LEU C 319 0.2959 0.8268 0.8371 -0.0228 0.1080 0.0112 341 LEU C CG ? ? 1 +11197 C CD1 A LEU C 319 0.3142 0.8373 0.8452 -0.0242 0.1174 0.0114 341 LEU C CD1 ? ? 1 +11198 C CD1 B LEU C 319 0.3111 0.8341 0.8419 -0.0242 0.1173 0.0113 341 LEU C CD1 ? ? 1 +11199 C CD2 A LEU C 319 0.2916 0.8332 0.8457 -0.0208 0.1087 0.0087 341 LEU C CD2 ? ? 1 +11200 C CD2 B LEU C 319 0.2891 0.8294 0.8416 -0.0203 0.1081 0.0087 341 LEU C CD2 ? ? 1 +11201 N N A MET C 320 0.2515 0.8180 0.8400 -0.0303 0.0970 0.0128 342 MET C N ? ? 1 +11202 N N B MET C 320 0.2482 0.8146 0.8366 -0.0301 0.0967 0.0127 342 MET C N ? ? 1 +11203 C CA A MET C 320 0.2418 0.8168 0.8418 -0.0339 0.0968 0.0134 342 MET C CA ? ? 1 +11204 C CA B MET C 320 0.2386 0.8136 0.8385 -0.0338 0.0966 0.0134 342 MET C CA ? ? 1 +11205 C C A MET C 320 0.2368 0.8238 0.8512 -0.0353 0.1024 0.0113 342 MET C C ? ? 1 +11206 C C B MET C 320 0.2337 0.8207 0.8481 -0.0352 0.1023 0.0113 342 MET C C ? ? 1 +11207 O O A MET C 320 0.2413 0.8292 0.8558 -0.0334 0.1069 0.0095 342 MET C O ? ? 1 +11208 O O B MET C 320 0.2380 0.8260 0.8525 -0.0332 0.1067 0.0095 342 MET C O ? ? 1 +11209 C CB A MET C 320 0.2290 0.8090 0.8357 -0.0330 0.0878 0.0141 342 MET C CB ? ? 1 +11210 C CB B MET C 320 0.2258 0.8056 0.8323 -0.0330 0.0875 0.0142 342 MET C CB ? ? 1 +11211 C CG A MET C 320 0.2225 0.8078 0.8352 -0.0294 0.0836 0.0126 342 MET C CG ? ? 1 +11212 C CG B MET C 320 0.2188 0.8044 0.8319 -0.0294 0.0832 0.0126 342 MET C CG ? ? 1 +11213 S SD A MET C 320 0.2083 0.7992 0.8288 -0.0285 0.0737 0.0135 342 MET C SD ? ? 1 +11214 S SD B MET C 320 0.2046 0.7958 0.8255 -0.0286 0.0733 0.0136 342 MET C SD ? ? 1 +11215 C CE A MET C 320 0.1985 0.8005 0.8332 -0.0325 0.0750 0.0137 342 MET C CE ? ? 1 +11216 C CE B MET C 320 0.1945 0.7976 0.8305 -0.0324 0.0748 0.0136 342 MET C CE ? ? 1 +11217 N N A ARG C 321 0.2272 0.8237 0.8540 -0.0384 0.1019 0.0113 343 ARG C N ? ? 1 +11218 N N B ARG C 321 0.2248 0.8211 0.8513 -0.0384 0.1021 0.0113 343 ARG C N ? ? 1 +11219 C CA A ARG C 321 0.2216 0.8311 0.8638 -0.0397 0.1062 0.0091 343 ARG C CA ? ? 1 +11220 C CA B ARG C 321 0.2192 0.8285 0.8611 -0.0397 0.1063 0.0091 343 ARG C CA ? ? 1 +11221 C C A ARG C 321 0.2073 0.8282 0.8632 -0.0376 0.0998 0.0081 343 ARG C C ? ? 1 +11222 C C B ARG C 321 0.2051 0.8255 0.8604 -0.0375 0.0997 0.0082 343 ARG C C ? ? 1 +11223 O O A ARG C 321 0.1999 0.8207 0.8563 -0.0373 0.0927 0.0095 343 ARG C O ? ? 1 +11224 O O B ARG C 321 0.1980 0.8180 0.8535 -0.0371 0.0926 0.0096 343 ARG C O ? ? 1 +11225 C CB A ARG C 321 0.2224 0.8350 0.8694 -0.0451 0.1112 0.0094 343 ARG C CB ? ? 1 +11226 C CB B ARG C 321 0.2198 0.8323 0.8667 -0.0451 0.1112 0.0094 343 ARG C CB ? ? 1 +11227 C CG A ARG C 321 0.2375 0.8396 0.8722 -0.0473 0.1192 0.0101 343 ARG C CG ? ? 1 +11228 C CG B ARG C 321 0.2348 0.8372 0.8698 -0.0474 0.1194 0.0100 343 ARG C CG ? ? 1 +11229 C CD A ARG C 321 0.2389 0.8449 0.8797 -0.0529 0.1251 0.0099 343 ARG C CD ? ? 1 +11230 C CD B ARG C 321 0.2361 0.8422 0.8770 -0.0530 0.1250 0.0100 343 ARG C CD ? ? 1 +11231 N NE A ARG C 321 0.2543 0.8495 0.8826 -0.0552 0.1331 0.0107 343 ARG C NE ? ? 1 +11232 N NE B ARG C 321 0.2515 0.8468 0.8800 -0.0553 0.1331 0.0107 343 ARG C NE ? ? 1 +11233 C CZ A ARG C 321 0.2612 0.8590 0.8921 -0.0565 0.1419 0.0089 343 ARG C CZ ? ? 1 +11234 C CZ B ARG C 321 0.2587 0.8561 0.8891 -0.0564 0.1417 0.0090 343 ARG C CZ ? ? 1 +11235 N NH1 A ARG C 321 0.2545 0.8651 0.8995 -0.0553 0.1435 0.0062 343 ARG C NH1 ? ? 1 +11236 N NH1 B ARG C 321 0.2523 0.8622 0.8963 -0.0549 0.1433 0.0062 343 ARG C NH1 ? ? 1 +11237 N NH2 A ARG C 321 0.2757 0.8628 0.8944 -0.0591 0.1492 0.0099 343 ARG C NH2 ? ? 1 +11238 N NH2 B ARG C 321 0.2733 0.8597 0.8912 -0.0588 0.1490 0.0100 343 ARG C NH2 ? ? 1 +11239 N N A SER C 322 0.2044 0.8348 0.8708 -0.0359 0.1024 0.0057 344 SER C N ? ? 1 +11240 N N B SER C 322 0.2023 0.8326 0.8686 -0.0359 0.1024 0.0057 344 SER C N ? ? 1 +11241 C CA A SER C 322 0.1917 0.8337 0.8721 -0.0342 0.0972 0.0046 344 SER C CA ? ? 1 +11242 C CA B SER C 322 0.1898 0.8318 0.8702 -0.0342 0.0973 0.0046 344 SER C CA ? ? 1 +11243 C C A SER C 322 0.1844 0.8353 0.8760 -0.0384 0.0978 0.0045 344 SER C C ? ? 1 +11244 C C B SER C 322 0.1827 0.8336 0.8744 -0.0385 0.0978 0.0045 344 SER C C ? ? 1 +11245 O O A SER C 322 0.1898 0.8382 0.8789 -0.0425 0.1031 0.0049 344 SER C O ? ? 1 +11246 O O B SER C 322 0.1881 0.8365 0.8772 -0.0426 0.1031 0.0049 344 SER C O ? ? 1 +11247 C CB A SER C 322 0.1917 0.8409 0.8797 -0.0307 0.0999 0.0020 344 SER C CB ? ? 1 +11248 C CB B SER C 322 0.1898 0.8389 0.8777 -0.0308 0.0999 0.0020 344 SER C CB ? ? 1 +11249 O OG A SER C 322 0.1924 0.8509 0.8908 -0.0333 0.1066 0.0001 344 SER C OG ? ? 1 +11250 O OG B SER C 322 0.1906 0.8491 0.8890 -0.0333 0.1066 0.0001 344 SER C OG ? ? 1 +11251 N N A PRO C 323 0.1728 0.8338 0.8766 -0.0377 0.0924 0.0039 345 PRO C N ? ? 1 +11252 N N B PRO C 323 0.1713 0.8323 0.8751 -0.0378 0.0924 0.0040 345 PRO C N ? ? 1 +11253 C CA A PRO C 323 0.1664 0.8359 0.8809 -0.0417 0.0925 0.0036 345 PRO C CA ? ? 1 +11254 C CA B PRO C 323 0.1654 0.8350 0.8800 -0.0418 0.0924 0.0036 345 PRO C CA ? ? 1 +11255 C C A PRO C 323 0.1695 0.8473 0.8933 -0.0446 0.1003 0.0013 345 PRO C C ? ? 1 +11256 C C B PRO C 323 0.1690 0.8468 0.8928 -0.0446 0.1003 0.0013 345 PRO C C ? ? 1 +11257 O O A PRO C 323 0.1675 0.8497 0.8973 -0.0490 0.1019 0.0011 345 PRO C O ? ? 1 +11258 O O B PRO C 323 0.1672 0.8494 0.8970 -0.0491 0.1019 0.0011 345 PRO C O ? ? 1 +11259 C CB A PRO C 323 0.1548 0.8329 0.8793 -0.0391 0.0850 0.0032 345 PRO C CB ? ? 1 +11260 C CB B PRO C 323 0.1536 0.8317 0.8781 -0.0391 0.0850 0.0032 345 PRO C CB ? ? 1 +11261 C CG A PRO C 323 0.1555 0.8258 0.8708 -0.0345 0.0802 0.0043 345 PRO C CG ? ? 1 +11262 C CG B PRO C 323 0.1542 0.8246 0.8697 -0.0346 0.0801 0.0044 345 PRO C CG ? ? 1 +11263 C CD A PRO C 323 0.1661 0.8297 0.8729 -0.0331 0.0859 0.0037 345 PRO C CD ? ? 1 +11264 C CD B PRO C 323 0.1647 0.8284 0.8716 -0.0332 0.0858 0.0037 345 PRO C CD ? ? 1 +11265 N N . THR C 324 0.1746 0.8543 0.8994 -0.0423 0.1052 -0.0006 346 THR C N ? ? 1 +11266 C CA . THR C 324 0.1799 0.8666 0.9125 -0.0450 0.1136 -0.0029 346 THR C CA ? ? 1 +11267 C CB . THR C 324 0.1769 0.8754 0.9218 -0.0412 0.1145 -0.0059 346 THR C CB ? ? 1 +11268 O OG1 . THR C 324 0.1809 0.8728 0.9174 -0.0358 0.1125 -0.0056 346 THR C OG1 ? ? 1 +11269 C CG2 . THR C 324 0.1646 0.8759 0.9245 -0.0404 0.1084 -0.0071 346 THR C CG2 ? ? 1 +11270 C C . THR C 324 0.1937 0.8695 0.9136 -0.0470 0.1214 -0.0022 346 THR C C ? ? 1 +11271 O O . THR C 324 0.1990 0.8794 0.9238 -0.0492 0.1293 -0.0041 346 THR C O ? ? 1 +11272 N N . GLY C 325 0.1998 0.8614 0.9034 -0.0463 0.1192 0.0005 347 GLY C N ? ? 1 +11273 C CA . GLY C 325 0.2132 0.8628 0.9030 -0.0488 0.1257 0.0017 347 GLY C CA ? ? 1 +11274 C C . GLY C 325 0.2247 0.8654 0.9026 -0.0453 0.1292 0.0015 347 GLY C C ? ? 1 +11275 O O . GLY C 325 0.2363 0.8654 0.9007 -0.0468 0.1339 0.0028 347 GLY C O ? ? 1 +11276 N N . GLU C 326 0.2224 0.8680 0.9048 -0.0404 0.1270 -0.0001 348 GLU C N ? ? 1 +11277 C CA . GLU C 326 0.2339 0.8710 0.9051 -0.0367 0.1298 -0.0006 348 GLU C CA ? ? 1 +11278 C CB . GLU C 326 0.2295 0.8742 0.9088 -0.0315 0.1272 -0.0027 348 GLU C CB ? ? 1 +11279 C CG . GLU C 326 0.2262 0.8858 0.9225 -0.0318 0.1319 -0.0057 348 GLU C CG ? ? 1 +11280 C CD . GLU C 326 0.2141 0.8868 0.9264 -0.0337 0.1277 -0.0063 348 GLU C CD ? ? 1 +11281 O OE1 . GLU C 326 0.2061 0.8764 0.9167 -0.0346 0.1207 -0.0043 348 GLU C OE1 ? ? 1 +11282 O OE2 . GLU C 326 0.2122 0.8977 0.9389 -0.0345 0.1317 -0.0089 348 GLU C OE2 ? ? 1 +11283 C C . GLU C 326 0.2403 0.8623 0.8939 -0.0353 0.1251 0.0021 348 GLU C C ? ? 1 +11284 O O . GLU C 326 0.2307 0.8518 0.8841 -0.0348 0.1173 0.0036 348 GLU C O ? ? 1 +11285 N N . ILE C 327 0.2555 0.8658 0.8945 -0.0345 0.1301 0.0024 349 ILE C N ? ? 1 +11286 C CA . ILE C 327 0.2632 0.8591 0.8850 -0.0327 0.1258 0.0045 349 ILE C CA ? ? 1 +11287 C CB . ILE C 327 0.2819 0.8647 0.8873 -0.0338 0.1328 0.0054 349 ILE C CB ? ? 1 +11288 C CG1 . ILE C 327 0.2863 0.8671 0.8906 -0.0393 0.1371 0.0069 349 ILE C CG1 ? ? 1 +11289 C CG2 . ILE C 327 0.2901 0.8583 0.8776 -0.0308 0.1277 0.0070 349 ILE C CG2 ? ? 1 +11290 C CD1 . ILE C 327 0.2829 0.8756 0.9020 -0.0429 0.1430 0.0053 349 ILE C CD1 ? ? 1 +11291 C C . ILE C 327 0.2587 0.8543 0.8796 -0.0274 0.1197 0.0037 349 ILE C C ? ? 1 +11292 O O . ILE C 327 0.2617 0.8597 0.8847 -0.0245 0.1229 0.0016 349 ILE C O ? ? 1 +11293 N N A ILE C 328 0.2529 0.8455 0.8710 -0.0263 0.1110 0.0052 350 ILE C N ? ? 1 +11294 N N B ILE C 328 0.2519 0.8444 0.8699 -0.0263 0.1111 0.0052 350 ILE C N ? ? 1 +11295 C CA A ILE C 328 0.2487 0.8411 0.8668 -0.0220 0.1045 0.0046 350 ILE C CA ? ? 1 +11296 C CA B ILE C 328 0.2466 0.8391 0.8647 -0.0220 0.1045 0.0046 350 ILE C CA ? ? 1 +11297 C C A ILE C 328 0.2532 0.8336 0.8570 -0.0209 0.0985 0.0064 350 ILE C C ? ? 1 +11298 C C B ILE C 328 0.2504 0.8307 0.8542 -0.0209 0.0984 0.0064 350 ILE C C ? ? 1 +11299 O O A ILE C 328 0.2574 0.8309 0.8530 -0.0233 0.0983 0.0083 350 ILE C O ? ? 1 +11300 O O B ILE C 328 0.2544 0.8281 0.8503 -0.0234 0.0982 0.0083 350 ILE C O ? ? 1 +11301 C CB A ILE C 328 0.2332 0.8382 0.8673 -0.0218 0.0990 0.0041 350 ILE C CB ? ? 1 +11302 C CB B ILE C 328 0.2309 0.8359 0.8650 -0.0219 0.0990 0.0042 350 ILE C CB ? ? 1 +11303 C CG1 A ILE C 328 0.2259 0.8308 0.8609 -0.0248 0.0938 0.0064 350 ILE C CG1 ? ? 1 +11304 C CG1 B ILE C 328 0.2232 0.8283 0.8584 -0.0249 0.0938 0.0064 350 ILE C CG1 ? ? 1 +11305 C CG2 A ILE C 328 0.2290 0.8469 0.8781 -0.0227 0.1043 0.0021 350 ILE C CG2 ? ? 1 +11306 C CG2 B ILE C 328 0.2268 0.8446 0.8758 -0.0227 0.1044 0.0021 350 ILE C CG2 ? ? 1 +11307 C CD1 A ILE C 328 0.2120 0.8274 0.8604 -0.0245 0.0880 0.0063 350 ILE C CD1 ? ? 1 +11308 C CD1 B ILE C 328 0.2094 0.8246 0.8576 -0.0244 0.0877 0.0063 350 ILE C CD1 ? ? 1 +11309 N N A PHE C 329 0.2527 0.8305 0.8537 -0.0171 0.0934 0.0056 351 PHE C N ? ? 1 +11310 N N B PHE C 329 0.2494 0.8270 0.8502 -0.0172 0.0933 0.0057 351 PHE C N ? ? 1 +11311 C CA A PHE C 329 0.2553 0.8234 0.8449 -0.0160 0.0867 0.0070 351 PHE C CA ? ? 1 +11312 C CA B PHE C 329 0.2512 0.8193 0.8407 -0.0160 0.0866 0.0070 351 PHE C CA ? ? 1 +11313 C C A PHE C 329 0.2455 0.8177 0.8411 -0.0180 0.0802 0.0087 351 PHE C C ? ? 1 +11314 C C B PHE C 329 0.2408 0.8130 0.8364 -0.0180 0.0801 0.0088 351 PHE C C ? ? 1 +11315 O O A PHE C 329 0.2338 0.8168 0.8432 -0.0186 0.0783 0.0084 351 PHE C O ? ? 1 +11316 O O B PHE C 329 0.2291 0.8121 0.8385 -0.0186 0.0783 0.0084 351 PHE C O ? ? 1 +11317 C CB A PHE C 329 0.2556 0.8210 0.8424 -0.0119 0.0828 0.0055 351 PHE C CB ? ? 1 +11318 C CB B PHE C 329 0.2515 0.8166 0.8379 -0.0119 0.0827 0.0056 351 PHE C CB ? ? 1 +11319 C CG A PHE C 329 0.2683 0.8257 0.8443 -0.0096 0.0880 0.0040 351 PHE C CG ? ? 1 +11320 C CG B PHE C 329 0.2639 0.8213 0.8399 -0.0096 0.0880 0.0040 351 PHE C CG ? ? 1 +11321 C CD1 A PHE C 329 0.2807 0.8274 0.8424 -0.0104 0.0916 0.0049 351 PHE C CD1 ? ? 1 +11322 C CD1 B PHE C 329 0.2765 0.8230 0.8379 -0.0104 0.0916 0.0048 351 PHE C CD1 ? ? 1 +11323 C CD2 A PHE C 329 0.2688 0.8288 0.8484 -0.0063 0.0893 0.0018 351 PHE C CD2 ? ? 1 +11324 C CD2 B PHE C 329 0.2641 0.8244 0.8440 -0.0063 0.0893 0.0018 351 PHE C CD2 ? ? 1 +11325 C CE1 A PHE C 329 0.2937 0.8325 0.8447 -0.0082 0.0965 0.0035 351 PHE C CE1 ? ? 1 +11326 C CE1 B PHE C 329 0.2893 0.8282 0.8404 -0.0081 0.0965 0.0034 351 PHE C CE1 ? ? 1 +11327 C CE2 A PHE C 329 0.2816 0.8339 0.8508 -0.0040 0.0942 0.0004 351 PHE C CE2 ? ? 1 +11328 C CE2 B PHE C 329 0.2766 0.8295 0.8465 -0.0040 0.0942 0.0004 351 PHE C CE2 ? ? 1 +11329 C CZ A PHE C 329 0.2940 0.8358 0.8489 -0.0051 0.0978 0.0012 351 PHE C CZ ? ? 1 +11330 C CZ B PHE C 329 0.2894 0.8316 0.8449 -0.0050 0.0979 0.0011 351 PHE C CZ ? ? 1 +11331 N N A GLY C 330 0.2520 0.8154 0.8367 -0.0188 0.0769 0.0105 352 GLY C N ? ? 1 +11332 N N B GLY C 330 0.2465 0.8100 0.8314 -0.0187 0.0765 0.0105 352 GLY C N ? ? 1 +11333 C CA A GLY C 330 0.2442 0.8100 0.8327 -0.0206 0.0709 0.0123 352 GLY C CA ? ? 1 +11334 C CA B GLY C 330 0.2383 0.8043 0.8270 -0.0205 0.0705 0.0122 352 GLY C CA ? ? 1 +11335 C C A GLY C 330 0.2409 0.8053 0.8284 -0.0183 0.0627 0.0122 352 GLY C C ? ? 1 +11336 C C B GLY C 330 0.2345 0.7992 0.8224 -0.0182 0.0623 0.0122 352 GLY C C ? ? 1 +11337 O O A GLY C 330 0.2453 0.8063 0.8287 -0.0154 0.0616 0.0108 352 GLY C O ? ? 1 +11338 O O B GLY C 330 0.2387 0.8002 0.8227 -0.0153 0.0612 0.0108 352 GLY C O ? ? 1 +11339 N N A GLY C 331 0.2347 0.8016 0.8258 -0.0196 0.0572 0.0137 353 GLY C N ? ? 1 +11340 N N B GLY C 331 0.2280 0.7950 0.8192 -0.0196 0.0568 0.0137 353 GLY C N ? ? 1 +11341 C CA A GLY C 331 0.2296 0.7976 0.8231 -0.0181 0.0497 0.0137 353 GLY C CA ? ? 1 +11342 C CA B GLY C 331 0.2224 0.7907 0.8163 -0.0181 0.0493 0.0137 353 GLY C CA ? ? 1 +11343 C C A GLY C 331 0.2198 0.7988 0.8278 -0.0178 0.0483 0.0129 353 GLY C C ? ? 1 +11344 C C B GLY C 331 0.2122 0.7915 0.8207 -0.0179 0.0480 0.0130 353 GLY C C ? ? 1 +11345 O O A GLY C 331 0.2160 0.8024 0.8330 -0.0189 0.0525 0.0125 353 GLY C O ? ? 1 +11346 O O B GLY C 331 0.2081 0.7949 0.8256 -0.0191 0.0522 0.0126 353 GLY C O ? ? 1 +11347 N N A GLU C 332 0.2168 0.7964 0.8268 -0.0162 0.0422 0.0126 354 GLU C N ? ? 1 +11348 N N B GLU C 332 0.2088 0.7889 0.8194 -0.0162 0.0421 0.0126 354 GLU C N ? ? 1 +11349 C CA A GLU C 332 0.2076 0.7963 0.8301 -0.0158 0.0400 0.0122 354 GLU C CA ? ? 1 +11350 C CA B GLU C 332 0.1994 0.7886 0.8225 -0.0157 0.0400 0.0121 354 GLU C CA ? ? 1 +11351 C C A GLU C 332 0.2059 0.7988 0.8336 -0.0139 0.0446 0.0104 354 GLU C C ? ? 1 +11352 C C B GLU C 332 0.1981 0.7913 0.8262 -0.0139 0.0449 0.0103 354 GLU C C ? ? 1 +11353 O O A GLU C 332 0.1980 0.7995 0.8368 -0.0135 0.0442 0.0099 354 GLU C O ? ? 1 +11354 O O B GLU C 332 0.1899 0.7922 0.8294 -0.0137 0.0451 0.0099 354 GLU C O ? ? 1 +11355 C CB A GLU C 332 0.2084 0.7953 0.8303 -0.0145 0.0330 0.0123 354 GLU C CB ? ? 1 +11356 C CB B GLU C 332 0.2001 0.7874 0.8226 -0.0143 0.0331 0.0121 354 GLU C CB ? ? 1 +11357 C CG A GLU C 332 0.2008 0.7963 0.8344 -0.0152 0.0294 0.0129 354 GLU C CG ? ? 1 +11358 C CG B GLU C 332 0.1922 0.7880 0.8261 -0.0151 0.0294 0.0129 354 GLU C CG ? ? 1 +11359 C CD A GLU C 332 0.2017 0.7957 0.8353 -0.0145 0.0229 0.0132 354 GLU C CD ? ? 1 +11360 C CD B GLU C 332 0.1929 0.7871 0.8268 -0.0145 0.0229 0.0132 354 GLU C CD ? ? 1 +11361 O OE1 A GLU C 332 0.2117 0.8005 0.8403 -0.0126 0.0214 0.0120 354 GLU C OE1 ? ? 1 +11362 O OE1 B GLU C 332 0.2027 0.7914 0.8311 -0.0127 0.0213 0.0120 354 GLU C OE1 ? ? 1 +11363 O OE2 A GLU C 332 0.2003 0.7987 0.8395 -0.0161 0.0195 0.0145 354 GLU C OE2 ? ? 1 +11364 O OE2 B GLU C 332 0.1909 0.7900 0.8312 -0.0160 0.0196 0.0144 354 GLU C OE2 ? ? 1 +11365 N N A THR C 333 0.2136 0.8004 0.8329 -0.0126 0.0492 0.0093 355 THR C N ? ? 1 +11366 N N B THR C 333 0.2060 0.7927 0.8254 -0.0123 0.0489 0.0091 355 THR C N ? ? 1 +11367 C CA A THR C 333 0.2138 0.8040 0.8372 -0.0105 0.0540 0.0073 355 THR C CA ? ? 1 +11368 C CA B THR C 333 0.2065 0.7966 0.8299 -0.0103 0.0539 0.0072 355 THR C CA ? ? 1 +11369 C C A THR C 333 0.2089 0.8078 0.8417 -0.0123 0.0597 0.0071 355 THR C C ? ? 1 +11370 C C B THR C 333 0.2024 0.8008 0.8347 -0.0122 0.0598 0.0070 355 THR C C ? ? 1 +11371 O O A THR C 333 0.2098 0.8136 0.8483 -0.0106 0.0638 0.0054 355 THR C O ? ? 1 +11372 O O B THR C 333 0.2039 0.8068 0.8413 -0.0105 0.0642 0.0053 355 THR C O ? ? 1 +11373 C CB A THR C 333 0.2260 0.8067 0.8372 -0.0086 0.0575 0.0061 355 THR C CB ? ? 1 +11374 C CB B THR C 333 0.2185 0.7990 0.8297 -0.0083 0.0573 0.0060 355 THR C CB ? ? 1 +11375 O OG1 A THR C 333 0.2269 0.8103 0.8421 -0.0056 0.0599 0.0041 355 THR C OG1 ? ? 1 +11376 O OG1 B THR C 333 0.2194 0.8029 0.8348 -0.0053 0.0598 0.0040 355 THR C OG1 ? ? 1 +11377 C CG2 A THR C 333 0.2336 0.8107 0.8386 -0.0104 0.0638 0.0065 355 THR C CG2 ? ? 1 +11378 C CG2 B THR C 333 0.2268 0.8031 0.8308 -0.0100 0.0635 0.0064 355 THR C CG2 ? ? 1 +11379 N N A MET C 334 0.2036 0.8045 0.8383 -0.0157 0.0600 0.0086 356 MET C N ? ? 1 +11380 N N B MET C 334 0.1972 0.7978 0.8316 -0.0155 0.0599 0.0086 356 MET C N ? ? 1 +11381 C CA A MET C 334 0.1993 0.8084 0.8431 -0.0180 0.0652 0.0083 356 MET C CA ? ? 1 +11382 C CA B MET C 334 0.1929 0.8019 0.8366 -0.0179 0.0650 0.0083 356 MET C CA ? ? 1 +11383 C C A MET C 334 0.1892 0.8093 0.8468 -0.0163 0.0645 0.0068 356 MET C C ? ? 1 +11384 C C B MET C 334 0.1830 0.8032 0.8407 -0.0163 0.0644 0.0068 356 MET C C ? ? 1 +11385 O O A MET C 334 0.1885 0.8160 0.8541 -0.0167 0.0697 0.0054 356 MET C O ? ? 1 +11386 O O B MET C 334 0.1821 0.8097 0.8479 -0.0168 0.0695 0.0055 356 MET C O ? ? 1 +11387 C CB A MET C 334 0.1948 0.8056 0.8406 -0.0217 0.0638 0.0102 356 MET C CB ? ? 1 +11388 C CB B MET C 334 0.1887 0.7990 0.8340 -0.0216 0.0635 0.0102 356 MET C CB ? ? 1 +11389 C CG A MET C 334 0.1856 0.7992 0.8359 -0.0217 0.0564 0.0113 356 MET C CG ? ? 1 +11390 C CG B MET C 334 0.1793 0.7927 0.8294 -0.0217 0.0562 0.0113 356 MET C CG ? ? 1 +11391 S SD A MET C 334 0.1812 0.7970 0.8342 -0.0259 0.0553 0.0133 356 MET C SD ? ? 1 +11392 S SD B MET C 334 0.1751 0.7909 0.8281 -0.0259 0.0554 0.0133 356 MET C SD ? ? 1 +11393 C CE A MET C 334 0.1899 0.7922 0.8263 -0.0261 0.0533 0.0150 356 MET C CE ? ? 1 +11394 C CE B MET C 334 0.1836 0.7858 0.8200 -0.0262 0.0533 0.0150 356 MET C CE ? ? 1 +11395 N N A ARG C 335 0.1811 0.8022 0.8413 -0.0143 0.0582 0.0071 357 ARG C N ? ? 1 +11396 N N B ARG C 335 0.1752 0.7966 0.8357 -0.0143 0.0580 0.0071 357 ARG C N ? ? 1 +11397 C CA A ARG C 335 0.1717 0.8025 0.8441 -0.0125 0.0565 0.0060 357 ARG C CA ? ? 1 +11398 C CA B ARG C 335 0.1665 0.7976 0.8393 -0.0123 0.0565 0.0059 357 ARG C CA ? ? 1 +11399 C C A ARG C 335 0.1753 0.8075 0.8494 -0.0089 0.0601 0.0037 357 ARG C C ? ? 1 +11400 C C B ARG C 335 0.1706 0.8029 0.8448 -0.0088 0.0602 0.0037 357 ARG C C ? ? 1 +11401 O O A ARG C 335 0.1699 0.8106 0.8544 -0.0069 0.0598 0.0025 357 ARG C O ? ? 1 +11402 O O B ARG C 335 0.1652 0.8060 0.8498 -0.0068 0.0599 0.0025 357 ARG C O ? ? 1 +11403 C CB A ARG C 335 0.1651 0.7949 0.8382 -0.0113 0.0490 0.0070 357 ARG C CB ? ? 1 +11404 C CB B ARG C 335 0.1599 0.7899 0.8333 -0.0111 0.0490 0.0069 357 ARG C CB ? ? 1 +11405 C CG A ARG C 335 0.1709 0.7920 0.8350 -0.0084 0.0466 0.0065 357 ARG C CG ? ? 1 +11406 C CG B ARG C 335 0.1656 0.7870 0.8300 -0.0082 0.0466 0.0065 357 ARG C CG ? ? 1 +11407 C CD A ARG C 335 0.1646 0.7859 0.8311 -0.0074 0.0399 0.0073 357 ARG C CD ? ? 1 +11408 C CD B ARG C 335 0.1594 0.7810 0.8263 -0.0072 0.0399 0.0072 357 ARG C CD ? ? 1 +11409 N NE A ARG C 335 0.1600 0.7799 0.8247 -0.0102 0.0358 0.0093 357 ARG C NE ? ? 1 +11410 N NE B ARG C 335 0.1547 0.7748 0.8197 -0.0101 0.0358 0.0092 357 ARG C NE ? ? 1 +11411 C CZ A ARG C 335 0.1565 0.7737 0.8198 -0.0100 0.0301 0.0102 357 ARG C CZ ? ? 1 +11412 C CZ B ARG C 335 0.1512 0.7689 0.8151 -0.0099 0.0301 0.0101 357 ARG C CZ ? ? 1 +11413 N NH1 A ARG C 335 0.1573 0.7727 0.8206 -0.0074 0.0276 0.0094 357 ARG C NH1 ? ? 1 +11414 N NH1 B ARG C 335 0.1517 0.7679 0.8160 -0.0073 0.0276 0.0094 357 ARG C NH1 ? ? 1 +11415 N NH2 A ARG C 335 0.1530 0.7690 0.8145 -0.0126 0.0270 0.0119 357 ARG C NH2 ? ? 1 +11416 N NH2 B ARG C 335 0.1479 0.7643 0.8099 -0.0125 0.0270 0.0118 357 ARG C NH2 ? ? 1 +11417 N N A PHE C 336 0.1844 0.8079 0.8477 -0.0078 0.0634 0.0031 358 PHE C N ? ? 1 +11418 N N B PHE C 336 0.1802 0.8037 0.8435 -0.0076 0.0634 0.0031 358 PHE C N ? ? 1 +11419 C CA A PHE C 336 0.1893 0.8124 0.8522 -0.0039 0.0664 0.0010 358 PHE C CA ? ? 1 +11420 C CA B PHE C 336 0.1856 0.8085 0.8483 -0.0039 0.0664 0.0009 358 PHE C CA ? ? 1 +11421 C C A PHE C 336 0.1959 0.8202 0.8582 -0.0044 0.0747 -0.0004 358 PHE C C ? ? 1 +11422 C C B PHE C 336 0.1928 0.8164 0.8544 -0.0043 0.0748 -0.0004 358 PHE C C ? ? 1 +11423 O O A PHE C 336 0.2029 0.8246 0.8621 -0.0014 0.0781 -0.0022 358 PHE C O ? ? 1 +11424 O O B PHE C 336 0.2001 0.8205 0.8576 -0.0014 0.0781 -0.0021 358 PHE C O ? ? 1 +11425 C CB A PHE C 336 0.1962 0.8078 0.8467 -0.0016 0.0632 0.0009 358 PHE C CB ? ? 1 +11426 C CB B PHE C 336 0.1923 0.8038 0.8427 -0.0016 0.0632 0.0009 358 PHE C CB ? ? 1 +11427 C CG A PHE C 336 0.1902 0.8010 0.8423 -0.0002 0.0559 0.0016 358 PHE C CG ? ? 1 +11428 C CG B PHE C 336 0.1862 0.7970 0.8383 -0.0002 0.0558 0.0016 358 PHE C CG ? ? 1 +11429 C CD1 A PHE C 336 0.1836 0.8020 0.8460 0.0022 0.0540 0.0008 358 PHE C CD1 ? ? 1 +11430 C CD1 B PHE C 336 0.1796 0.7980 0.8420 0.0022 0.0539 0.0008 358 PHE C CD1 ? ? 1 +11431 C CD2 A PHE C 336 0.1914 0.7939 0.8345 -0.0012 0.0509 0.0028 358 PHE C CD2 ? ? 1 +11432 C CD2 B PHE C 336 0.1873 0.7899 0.8305 -0.0012 0.0508 0.0029 358 PHE C CD2 ? ? 1 +11433 C CE1 A PHE C 336 0.1794 0.7962 0.8425 0.0033 0.0477 0.0014 358 PHE C CE1 ? ? 1 +11434 C CE1 B PHE C 336 0.1753 0.7922 0.8385 0.0033 0.0475 0.0015 358 PHE C CE1 ? ? 1 +11435 C CE2 A PHE C 336 0.1863 0.7882 0.8311 -0.0002 0.0446 0.0033 358 PHE C CE2 ? ? 1 +11436 C CE2 B PHE C 336 0.1824 0.7843 0.8272 -0.0002 0.0445 0.0033 358 PHE C CE2 ? ? 1 +11437 C CZ A PHE C 336 0.1807 0.7893 0.8351 0.0019 0.0432 0.0027 358 PHE C CZ ? ? 1 +11438 C CZ B PHE C 336 0.1767 0.7854 0.8312 0.0019 0.0431 0.0027 358 PHE C CZ ? ? 1 +11439 N N A TRP C 337 0.1938 0.8216 0.8590 -0.0083 0.0782 0.0003 359 TRP C N ? ? 1 +11440 N N B TRP C 337 0.1907 0.8186 0.8561 -0.0082 0.0784 0.0002 359 TRP C N ? ? 1 +11441 C CA A TRP C 337 0.2016 0.8290 0.8647 -0.0096 0.0865 -0.0007 359 TRP C CA ? ? 1 +11442 C CA B TRP C 337 0.1989 0.8264 0.8622 -0.0094 0.0867 -0.0009 359 TRP C CA ? ? 1 +11443 C C A TRP C 337 0.2012 0.8378 0.8747 -0.0070 0.0911 -0.0034 359 TRP C C ? ? 1 +11444 C C B TRP C 337 0.1989 0.8357 0.8726 -0.0068 0.0913 -0.0035 359 TRP C C ? ? 1 +11445 O O A TRP C 337 0.2088 0.8453 0.8808 -0.0073 0.0984 -0.0047 359 TRP C O ? ? 1 +11446 O O B TRP C 337 0.2070 0.8431 0.8785 -0.0069 0.0986 -0.0048 359 TRP C O ? ? 1 +11447 C CB A TRP C 337 0.1996 0.8295 0.8651 -0.0146 0.0892 0.0006 359 TRP C CB ? ? 1 +11448 C CB B TRP C 337 0.1972 0.8272 0.8627 -0.0144 0.0895 0.0004 359 TRP C CB ? ? 1 +11449 C CG A TRP C 337 0.1891 0.8324 0.8704 -0.0164 0.0889 0.0000 359 TRP C CG ? ? 1 +11450 C CG B TRP C 337 0.1868 0.8301 0.8681 -0.0163 0.0892 -0.0001 359 TRP C CG ? ? 1 +11451 C CD1 A TRP C 337 0.1783 0.8271 0.8671 -0.0168 0.0824 0.0009 359 TRP C CD1 ? ? 1 +11452 C CD1 B TRP C 337 0.1760 0.8246 0.8646 -0.0168 0.0827 0.0009 359 TRP C CD1 ? ? 1 +11453 C CD2 A TRP C 337 0.1890 0.8419 0.8807 -0.0181 0.0954 -0.0018 359 TRP C CD2 ? ? 1 +11454 C CD2 B TRP C 337 0.1866 0.8397 0.8784 -0.0180 0.0957 -0.0019 359 TRP C CD2 ? ? 1 +11455 N NE1 A TRP C 337 0.1717 0.8327 0.8745 -0.0186 0.0841 -0.0002 359 TRP C NE1 ? ? 1 +11456 N NE1 B TRP C 337 0.1693 0.8301 0.8719 -0.0185 0.0844 -0.0002 359 TRP C NE1 ? ? 1 +11457 C CE2 A TRP C 337 0.1776 0.8418 0.8830 -0.0195 0.0920 -0.0020 359 TRP C CE2 ? ? 1 +11458 C CE2 B TRP C 337 0.1752 0.8393 0.8804 -0.0194 0.0923 -0.0020 359 TRP C CE2 ? ? 1 +11459 C CE3 A TRP C 337 0.1976 0.8510 0.8886 -0.0187 0.1039 -0.0034 359 TRP C CE3 ? ? 1 +11460 C CE3 B TRP C 337 0.1951 0.8487 0.8863 -0.0185 0.1042 -0.0035 359 TRP C CE3 ? ? 1 +11461 C CZ2 A TRP C 337 0.1745 0.8503 0.8928 -0.0214 0.0965 -0.0038 359 TRP C CZ2 ? ? 1 +11462 C CZ2 B TRP C 337 0.1719 0.8478 0.8902 -0.0213 0.0967 -0.0039 359 TRP C CZ2 ? ? 1 +11463 C CZ3 A TRP C 337 0.1942 0.8594 0.8985 -0.0208 0.1087 -0.0052 359 TRP C CZ3 ? ? 1 +11464 C CZ3 B TRP C 337 0.1917 0.8572 0.8963 -0.0206 0.1089 -0.0053 359 TRP C CZ3 ? ? 1 +11465 C CH2 A TRP C 337 0.1828 0.8593 0.9008 -0.0221 0.1048 -0.0054 359 TRP C CH2 ? ? 1 +11466 C CH2 B TRP C 337 0.1803 0.8570 0.8984 -0.0220 0.1050 -0.0055 359 TRP C CH2 ? ? 1 +11467 N N A ASP C 338 0.1926 0.8370 0.8763 -0.0043 0.0867 -0.0042 360 ASP C N ? ? 1 +11468 N N B ASP C 338 0.1901 0.8355 0.8749 -0.0044 0.0872 -0.0043 360 ASP C N ? ? 1 +11469 C CA A ASP C 338 0.1917 0.8453 0.8858 -0.0011 0.0901 -0.0068 360 ASP C CA ? ? 1 +11470 C CA B ASP C 338 0.1899 0.8441 0.8846 -0.0011 0.0905 -0.0070 360 ASP C CA ? ? 1 +11471 C C A ASP C 338 0.1995 0.8460 0.8858 0.0036 0.0909 -0.0082 360 ASP C C ? ? 1 +11472 C C B ASP C 338 0.1984 0.8453 0.8849 0.0036 0.0917 -0.0083 360 ASP C C ? ? 1 +11473 O O A ASP C 338 0.2005 0.8532 0.8938 0.0072 0.0933 -0.0104 360 ASP C O ? ? 1 +11474 O O B ASP C 338 0.2009 0.8537 0.8938 0.0068 0.0953 -0.0107 360 ASP C O ? ? 1 +11475 C CB A ASP C 338 0.1807 0.8453 0.8884 0.0002 0.0849 -0.0071 360 ASP C CB ? ? 1 +11476 C CB B ASP C 338 0.1791 0.8438 0.8870 0.0006 0.0850 -0.0073 360 ASP C CB ? ? 1 +11477 C CG A ASP C 338 0.1725 0.8439 0.8879 -0.0043 0.0832 -0.0059 360 ASP C CG ? ? 1 +11478 C CG B ASP C 338 0.1705 0.8423 0.8865 -0.0037 0.0829 -0.0061 360 ASP C CG ? ? 1 +11479 O OD1 A ASP C 338 0.1742 0.8501 0.8936 -0.0077 0.0888 -0.0064 360 ASP C OD1 ? ? 1 +11480 O OD1 B ASP C 338 0.1714 0.8490 0.8928 -0.0069 0.0881 -0.0067 360 ASP C OD1 ? ? 1 +11481 O OD2 A ASP C 338 0.1653 0.8375 0.8828 -0.0044 0.0765 -0.0045 360 ASP C OD2 ? ? 1 +11482 O OD2 B ASP C 338 0.1643 0.8357 0.8810 -0.0038 0.0761 -0.0045 360 ASP C OD2 ? ? 1 +11483 N N A PHE C 339 0.2052 0.8388 0.8769 0.0038 0.0888 -0.0069 361 PHE C N ? ? 1 +11484 N N B PHE C 339 0.2032 0.8374 0.8758 0.0041 0.0884 -0.0070 361 PHE C N ? ? 1 +11485 C CA A PHE C 339 0.2137 0.8390 0.8763 0.0080 0.0894 -0.0082 361 PHE C CA ? ? 1 +11486 C CA B PHE C 339 0.2120 0.8379 0.8754 0.0082 0.0891 -0.0083 361 PHE C CA ? ? 1 +11487 C C A PHE C 339 0.2239 0.8480 0.8831 0.0086 0.0982 -0.0100 361 PHE C C ? ? 1 +11488 C C B PHE C 339 0.2223 0.8470 0.8823 0.0087 0.0979 -0.0100 361 PHE C C ? ? 1 +11489 O O A PHE C 339 0.2282 0.8500 0.8831 0.0051 0.1028 -0.0093 361 PHE C O ? ? 1 +11490 O O B PHE C 339 0.2260 0.8488 0.8822 0.0051 0.1026 -0.0093 361 PHE C O ? ? 1 +11491 C CB A PHE C 339 0.2180 0.8297 0.8657 0.0077 0.0846 -0.0067 361 PHE C CB ? ? 1 +11492 C CB B PHE C 339 0.2162 0.8285 0.8647 0.0078 0.0843 -0.0067 361 PHE C CB ? ? 1 +11493 C CG A PHE C 339 0.2293 0.8312 0.8657 0.0113 0.0865 -0.0082 361 PHE C CG ? ? 1 +11494 C CG B PHE C 339 0.2274 0.8297 0.8644 0.0114 0.0862 -0.0082 361 PHE C CG ? ? 1 +11495 C CD1 A PHE C 339 0.2296 0.8310 0.8675 0.0157 0.0839 -0.0097 361 PHE C CD1 ? ? 1 +11496 C CD1 B PHE C 339 0.2279 0.8297 0.8663 0.0158 0.0836 -0.0097 361 PHE C CD1 ? ? 1 +11497 C CD2 A PHE C 339 0.2404 0.8334 0.8645 0.0104 0.0914 -0.0083 361 PHE C CD2 ? ? 1 +11498 C CD2 B PHE C 339 0.2384 0.8320 0.8633 0.0104 0.0912 -0.0083 361 PHE C CD2 ? ? 1 +11499 C CE1 A PHE C 339 0.2407 0.8330 0.8683 0.0190 0.0859 -0.0113 361 PHE C CE1 ? ? 1 +11500 C CE1 B PHE C 339 0.2392 0.8317 0.8671 0.0191 0.0857 -0.0113 361 PHE C CE1 ? ? 1 +11501 C CE2 A PHE C 339 0.2518 0.8358 0.8654 0.0138 0.0933 -0.0099 361 PHE C CE2 ? ? 1 +11502 C CE2 B PHE C 339 0.2499 0.8343 0.8641 0.0138 0.0932 -0.0099 361 PHE C CE2 ? ? 1 +11503 C CZ A PHE C 339 0.2518 0.8355 0.8673 0.0180 0.0905 -0.0115 361 PHE C CZ ? ? 1 +11504 C CZ B PHE C 339 0.2500 0.8341 0.8659 0.0181 0.0904 -0.0115 361 PHE C CZ ? ? 1 +11505 N N A ARG C 340 0.2286 0.8537 0.8893 0.0132 0.1005 -0.0123 362 ARG C N ? ? 1 +11506 N N B ARG C 340 0.2277 0.8529 0.8885 0.0133 0.1004 -0.0123 362 ARG C N ? ? 1 +11507 C CA A ARG C 340 0.2401 0.8627 0.8961 0.0144 0.1087 -0.0142 362 ARG C CA ? ? 1 +11508 C CA B ARG C 340 0.2394 0.8620 0.8953 0.0144 0.1086 -0.0141 362 ARG C CA ? ? 1 +11509 C C A ARG C 340 0.2492 0.8615 0.8942 0.0191 0.1074 -0.0153 362 ARG C C ? ? 1 +11510 C C B ARG C 340 0.2488 0.8609 0.8937 0.0191 0.1073 -0.0153 362 ARG C C ? ? 1 +11511 O O A ARG C 340 0.2456 0.8589 0.8941 0.0226 0.1024 -0.0159 362 ARG C O ? ? 1 +11512 O O B ARG C 340 0.2453 0.8583 0.8934 0.0225 0.1022 -0.0158 362 ARG C O ? ? 1 +11513 C CB A ARG C 340 0.2372 0.8739 0.9084 0.0156 0.1145 -0.0165 362 ARG C CB ? ? 1 +11514 C CB B ARG C 340 0.2365 0.8731 0.9076 0.0156 0.1145 -0.0165 362 ARG C CB ? ? 1 +11515 C CG A ARG C 340 0.2266 0.8756 0.9115 0.0114 0.1146 -0.0158 362 ARG C CG ? ? 1 +11516 C CG B ARG C 340 0.2259 0.8750 0.9109 0.0114 0.1147 -0.0159 362 ARG C CG ? ? 1 +11517 C CD A ARG C 340 0.2305 0.8767 0.9106 0.0058 0.1195 -0.0145 362 ARG C CD ? ? 1 +11518 C CD B ARG C 340 0.2298 0.8761 0.9101 0.0058 0.1197 -0.0145 362 ARG C CD ? ? 1 +11519 N NE A ARG C 340 0.2405 0.8874 0.9196 0.0056 0.1292 -0.0163 362 ARG C NE ? ? 1 +11520 N NE B ARG C 340 0.2398 0.8869 0.9191 0.0056 0.1294 -0.0164 362 ARG C NE ? ? 1 +11521 C CZ A ARG C 340 0.2385 0.8983 0.9315 0.0052 0.1349 -0.0185 362 ARG C CZ ? ? 1 +11522 C CZ B ARG C 340 0.2377 0.8976 0.9308 0.0051 0.1351 -0.0185 362 ARG C CZ ? ? 1 +11523 N NH1 A ARG C 340 0.2267 0.9000 0.9358 0.0050 0.1317 -0.0192 362 ARG C NH1 ? ? 1 +11524 N NH1 B ARG C 340 0.2260 0.8994 0.9352 0.0046 0.1320 -0.0192 362 ARG C NH1 ? ? 1 +11525 N NH2 A ARG C 340 0.2486 0.9077 0.9391 0.0050 0.1440 -0.0201 362 ARG C NH2 ? ? 1 +11526 N NH2 B ARG C 340 0.2479 0.9072 0.9386 0.0049 0.1442 -0.0202 362 ARG C NH2 ? ? 1 +11527 N N . GLY C 341 0.2619 0.8636 0.8932 0.0191 0.1120 -0.0156 363 GLY C N ? ? 1 +11528 C CA . GLY C 341 0.2725 0.8639 0.8927 0.0235 0.1115 -0.0171 363 GLY C CA ? ? 1 +11529 C C . GLY C 341 0.2875 0.8705 0.8955 0.0237 0.1191 -0.0181 363 GLY C C ? ? 1 +11530 O O . GLY C 341 0.2905 0.8716 0.8943 0.0199 0.1230 -0.0168 363 GLY C O ? ? 1 +11531 N N . PRO C 342 0.2987 0.8758 0.9002 0.0284 0.1215 -0.0203 364 PRO C N ? ? 1 +11532 C CA . PRO C 342 0.3141 0.8842 0.9049 0.0292 0.1296 -0.0216 364 PRO C CA ? ? 1 +11533 C CB . PRO C 342 0.3215 0.8859 0.9070 0.0350 0.1294 -0.0240 364 PRO C CB ? ? 1 +11534 C CG . PRO C 342 0.3101 0.8818 0.9073 0.0373 0.1228 -0.0242 364 PRO C CG ? ? 1 +11535 C CD . PRO C 342 0.2973 0.8735 0.9005 0.0331 0.1165 -0.0216 364 PRO C CD ? ? 1 +11536 C C . PRO C 342 0.3247 0.8819 0.8987 0.0261 0.1300 -0.0198 364 PRO C C ? ? 1 +11537 O O . PRO C 342 0.3344 0.8887 0.9025 0.0247 0.1377 -0.0200 364 PRO C O ? ? 1 +11538 N N A TRP C 343 0.3234 0.8729 0.8898 0.0251 0.1218 -0.0181 365 TRP C N ? ? 1 +11539 N N B TRP C 343 0.3234 0.8728 0.8897 0.0251 0.1218 -0.0182 365 TRP C N ? ? 1 +11540 C CA A TRP C 343 0.3333 0.8700 0.8832 0.0228 0.1209 -0.0166 365 TRP C CA ? ? 1 +11541 C CA B TRP C 343 0.3331 0.8698 0.8830 0.0229 0.1209 -0.0166 365 TRP C CA ? ? 1 +11542 C C A TRP C 343 0.3299 0.8697 0.8819 0.0177 0.1224 -0.0142 365 TRP C C ? ? 1 +11543 C C B TRP C 343 0.3297 0.8694 0.8816 0.0177 0.1224 -0.0142 365 TRP C C ? ? 1 +11544 O O A TRP C 343 0.3396 0.8695 0.8781 0.0159 0.1242 -0.0130 365 TRP C O ? ? 1 +11545 O O B TRP C 343 0.3396 0.8695 0.8781 0.0159 0.1242 -0.0130 365 TRP C O ? ? 1 +11546 C CB A TRP C 343 0.3326 0.8607 0.8745 0.0237 0.1113 -0.0160 365 TRP C CB ? ? 1 +11547 C CB B TRP C 343 0.3320 0.8601 0.8739 0.0236 0.1113 -0.0160 365 TRP C CB ? ? 1 +11548 C CG A TRP C 343 0.3169 0.8530 0.8706 0.0221 0.1038 -0.0146 365 TRP C CG ? ? 1 +11549 C CG B TRP C 343 0.3162 0.8524 0.8700 0.0221 0.1038 -0.0146 365 TRP C CG ? ? 1 +11550 C CD1 A TRP C 343 0.3085 0.8509 0.8725 0.0245 0.0997 -0.0155 365 TRP C CD1 ? ? 1 +11551 C CD1 B TRP C 343 0.3077 0.8509 0.8725 0.0246 0.1002 -0.0155 365 TRP C CD1 ? ? 1 +11552 C CD2 A TRP C 343 0.3089 0.8465 0.8642 0.0179 0.0993 -0.0120 365 TRP C CD2 ? ? 1 +11553 C CD2 B TRP C 343 0.3078 0.8457 0.8635 0.0180 0.0992 -0.0120 365 TRP C CD2 ? ? 1 +11554 N NE1 A TRP C 343 0.2957 0.8438 0.8679 0.0219 0.0933 -0.0135 365 TRP C NE1 ? ? 1 +11555 N NE1 B TRP C 343 0.2947 0.8437 0.8678 0.0221 0.0937 -0.0137 365 TRP C NE1 ? ? 1 +11556 C CE2 A TRP C 343 0.2956 0.8410 0.8627 0.0179 0.0929 -0.0114 365 TRP C CE2 ? ? 1 +11557 C CE2 B TRP C 343 0.2943 0.8404 0.8622 0.0180 0.0930 -0.0115 365 TRP C CE2 ? ? 1 +11558 C CE3 A TRP C 343 0.3123 0.8450 0.8597 0.0144 0.1003 -0.0100 365 TRP C CE3 ? ? 1 +11559 C CE3 B TRP C 343 0.3110 0.8438 0.8587 0.0145 0.0997 -0.0100 365 TRP C CE3 ? ? 1 +11560 C CZ2 A TRP C 343 0.2854 0.8343 0.8570 0.0144 0.0876 -0.0091 365 TRP C CZ2 ? ? 1 +11561 C CZ2 B TRP C 343 0.2839 0.8335 0.8565 0.0146 0.0875 -0.0092 365 TRP C CZ2 ? ? 1 +11562 C CZ3 A TRP C 343 0.3021 0.8383 0.8542 0.0111 0.0948 -0.0077 365 TRP C CZ3 ? ? 1 +11563 C CZ3 B TRP C 343 0.3006 0.8370 0.8531 0.0113 0.0941 -0.0078 365 TRP C CZ3 ? ? 1 +11564 C CH2 A TRP C 343 0.2887 0.8331 0.8529 0.0111 0.0886 -0.0073 365 TRP C CH2 ? ? 1 +11565 C CH2 B TRP C 343 0.2870 0.8319 0.8521 0.0113 0.0882 -0.0074 365 TRP C CH2 ? ? 1 +11566 N N A LEU C 344 0.3172 0.8702 0.8856 0.0155 0.1216 -0.0134 366 LEU C N ? ? 1 +11567 N N B LEU C 344 0.3170 0.8700 0.8854 0.0155 0.1215 -0.0134 366 LEU C N ? ? 1 +11568 C CA A LEU C 344 0.3128 0.8693 0.8843 0.0105 0.1224 -0.0112 366 LEU C CA ? ? 1 +11569 C CA B LEU C 344 0.3126 0.8691 0.8842 0.0105 0.1224 -0.0112 366 LEU C CA ? ? 1 +11570 C C A LEU C 344 0.3146 0.8792 0.8940 0.0083 0.1319 -0.0118 366 LEU C C ? ? 1 +11571 C C B LEU C 344 0.3145 0.8790 0.8939 0.0083 0.1319 -0.0118 366 LEU C C ? ? 1 +11572 O O A LEU C 344 0.3180 0.8797 0.8929 0.0044 0.1354 -0.0102 366 LEU C O ? ? 1 +11573 O O B LEU C 344 0.3176 0.8793 0.8925 0.0044 0.1354 -0.0102 366 LEU C O ? ? 1 +11574 C CB A LEU C 344 0.2970 0.8622 0.8808 0.0091 0.1147 -0.0099 366 LEU C CB ? ? 1 +11575 C CB B LEU C 344 0.2968 0.8620 0.8807 0.0090 0.1147 -0.0099 366 LEU C CB ? ? 1 +11576 C CG A LEU C 344 0.2904 0.8592 0.8781 0.0041 0.1141 -0.0075 366 LEU C CG ? ? 1 +11577 C CG B LEU C 344 0.2901 0.8589 0.8778 0.0041 0.1140 -0.0075 366 LEU C CG ? ? 1 +11578 C CD1 A LEU C 344 0.2995 0.8553 0.8707 0.0022 0.1131 -0.0056 366 LEU C CD1 ? ? 1 +11579 C CD1 B LEU C 344 0.2991 0.8550 0.8705 0.0021 0.1131 -0.0056 366 LEU C CD1 ? ? 1 +11580 C CD2 A LEU C 344 0.2752 0.8522 0.8746 0.0032 0.1063 -0.0064 366 LEU C CD2 ? ? 1 +11581 C CD2 B LEU C 344 0.2748 0.8518 0.8742 0.0032 0.1062 -0.0064 366 LEU C CD2 ? ? 1 +11582 N N . GLU C 345 0.3133 0.8876 0.9042 0.0108 0.1361 -0.0142 367 GLU C N ? ? 1 +11583 C CA . GLU C 345 0.3139 0.8983 0.9154 0.0086 0.1446 -0.0151 367 GLU C CA ? ? 1 +11584 C CB . GLU C 345 0.3100 0.9060 0.9252 0.0125 0.1473 -0.0181 367 GLU C CB ? ? 1 +11585 C CG . GLU C 345 0.2955 0.9013 0.9245 0.0141 0.1394 -0.0182 367 GLU C CG ? ? 1 +11586 C CD . GLU C 345 0.2844 0.8957 0.9206 0.0095 0.1346 -0.0159 367 GLU C CD ? ? 1 +11587 O OE1 . GLU C 345 0.2816 0.9015 0.9268 0.0058 0.1394 -0.0159 367 GLU C OE1 ? ? 1 +11588 O OE2 . GLU C 345 0.2796 0.8866 0.9123 0.0095 0.1262 -0.0142 367 GLU C OE2 ? ? 1 +11589 C C . GLU C 345 0.3299 0.9064 0.9199 0.0065 0.1536 -0.0150 367 GLU C C ? ? 1 +11590 O O . GLU C 345 0.3300 0.9119 0.9257 0.0023 0.1590 -0.0144 367 GLU C O ? ? 1 +11591 N N . PRO C 346 0.3462 0.9091 0.9191 0.0091 0.1558 -0.0154 368 PRO C N ? ? 1 +11592 C CA . PRO C 346 0.3619 0.9159 0.9221 0.0070 0.1642 -0.0150 368 PRO C CA ? ? 1 +11593 C CB . PRO C 346 0.3753 0.9141 0.9168 0.0110 0.1631 -0.0156 368 PRO C CB ? ? 1 +11594 C CG . PRO C 346 0.3685 0.9114 0.9166 0.0157 0.1573 -0.0175 368 PRO C CG ? ? 1 +11595 C CD . PRO C 346 0.3505 0.9054 0.9149 0.0140 0.1504 -0.0165 368 PRO C CD ? ? 1 +11596 C C . PRO C 346 0.3650 0.9142 0.9194 0.0017 0.1640 -0.0120 368 PRO C C ? ? 1 +11597 O O . PRO C 346 0.3759 0.9209 0.9240 -0.0009 0.1721 -0.0116 368 PRO C O ? ? 1 +11598 N N . LEU C 347 0.3583 0.9074 0.9141 0.0003 0.1549 -0.0100 369 LEU C N ? ? 1 +11599 C CA . LEU C 347 0.3600 0.9049 0.9109 -0.0043 0.1539 -0.0072 369 LEU C CA ? ? 1 +11600 C CB . LEU C 347 0.3553 0.8932 0.8989 -0.0036 0.1431 -0.0053 369 LEU C CB ? ? 1 +11601 C CG . LEU C 347 0.3670 0.8913 0.8937 0.0003 0.1398 -0.0058 369 LEU C CG ? ? 1 +11602 C CD1 . LEU C 347 0.3621 0.8811 0.8835 0.0005 0.1291 -0.0042 369 LEU C CD1 ? ? 1 +11603 C CD2 . LEU C 347 0.3856 0.8968 0.8946 0.0001 0.1468 -0.0055 369 LEU C CD2 ? ? 1 +11604 C C . LEU C 347 0.3497 0.9084 0.9178 -0.0086 0.1557 -0.0068 369 LEU C C ? ? 1 +11605 O O . LEU C 347 0.3482 0.9046 0.9141 -0.0128 0.1559 -0.0046 369 LEU C O ? ? 1 +11606 N N . ARG C 348 0.3423 0.9152 0.9277 -0.0074 0.1569 -0.0090 370 ARG C N ? ? 1 +11607 C CA . ARG C 348 0.3323 0.9197 0.9357 -0.0109 0.1576 -0.0090 370 ARG C CA ? ? 1 +11608 C CB . ARG C 348 0.3204 0.9208 0.9400 -0.0075 0.1529 -0.0110 370 ARG C CB ? ? 1 +11609 C CG . ARG C 348 0.3055 0.9213 0.9442 -0.0102 0.1508 -0.0112 370 ARG C CG ? ? 1 +11610 C CD . ARG C 348 0.2939 0.9101 0.9346 -0.0103 0.1406 -0.0094 370 ARG C CD ? ? 1 +11611 N NE . ARG C 348 0.2908 0.9067 0.9320 -0.0051 0.1342 -0.0103 370 ARG C NE ? ? 1 +11612 C CZ . ARG C 348 0.2850 0.8968 0.9229 -0.0043 0.1253 -0.0086 370 ARG C CZ ? ? 1 +11613 N NH1 . ARG C 348 0.2802 0.8897 0.9159 -0.0080 0.1214 -0.0062 370 ARG C NH1 ? ? 1 +11614 N NH2 . ARG C 348 0.2841 0.8939 0.9205 0.0002 0.1203 -0.0095 370 ARG C NH2 ? ? 1 +11615 C C . ARG C 348 0.3395 0.9310 0.9467 -0.0142 0.1687 -0.0101 370 ARG C C ? ? 1 +11616 O O . ARG C 348 0.3496 0.9396 0.9536 -0.0121 0.1758 -0.0119 370 ARG C O ? ? 1 +11617 N N . GLY C 349 0.3371 0.9333 0.9507 -0.0196 0.1704 -0.0088 371 GLY C N ? ? 1 +11618 C CA . GLY C 349 0.3444 0.9468 0.9648 -0.0236 0.1805 -0.0099 371 GLY C CA ? ? 1 +11619 C C . GLY C 349 0.3330 0.9523 0.9745 -0.0265 0.1789 -0.0108 371 GLY C C ? ? 1 +11620 O O . GLY C 349 0.3203 0.9460 0.9702 -0.0249 0.1702 -0.0106 371 GLY C O ? ? 1 +11621 N N . PRO C 350 0.3378 0.9645 0.9881 -0.0313 0.1873 -0.0118 372 PRO C N ? ? 1 +11622 C CA . PRO C 350 0.3265 0.9694 0.9968 -0.0344 0.1860 -0.0130 372 PRO C CA ? ? 1 +11623 C CB . PRO C 350 0.3350 0.9799 1.0079 -0.0402 0.1969 -0.0137 372 PRO C CB ? ? 1 +11624 C CG . PRO C 350 0.3509 0.9847 1.0092 -0.0384 0.2050 -0.0140 372 PRO C CG ? ? 1 +11625 C CD . PRO C 350 0.3545 0.9733 0.9947 -0.0341 0.1981 -0.0118 372 PRO C CD ? ? 1 +11626 C C . PRO C 350 0.3182 0.9611 0.9902 -0.0364 0.1767 -0.0107 372 PRO C C ? ? 1 +11627 O O . PRO C 350 0.3055 0.9611 0.9930 -0.0360 0.1714 -0.0117 372 PRO C O ? ? 1 +11628 N N . ASN C 351 0.3268 0.9552 0.9826 -0.0382 0.1746 -0.0075 373 ASN C N ? ? 1 +11629 C CA . ASN C 351 0.3192 0.9467 0.9756 -0.0403 0.1665 -0.0052 373 ASN C CA ? ? 1 +11630 C CB . ASN C 351 0.3303 0.9461 0.9741 -0.0450 0.1697 -0.0026 373 ASN C CB ? ? 1 +11631 C CG . ASN C 351 0.3358 0.9584 0.9886 -0.0509 0.1782 -0.0037 373 ASN C CG ? ? 1 +11632 O OD1 . ASN C 351 0.3292 0.9664 0.9987 -0.0516 0.1819 -0.0065 373 ASN C OD1 ? ? 1 +11633 N ND2 . ASN C 351 0.3480 0.9597 0.9894 -0.0551 0.1816 -0.0014 373 ASN C ND2 ? ? 1 +11634 C C . ASN C 351 0.3139 0.9355 0.9633 -0.0358 0.1562 -0.0038 373 ASN C C ? ? 1 +11635 O O . ASN C 351 0.3102 0.9282 0.9567 -0.0371 0.1496 -0.0016 373 ASN C O ? ? 1 +11636 N N . GLY C 352 0.3148 0.9354 0.9619 -0.0304 0.1550 -0.0052 374 GLY C N ? ? 1 +11637 C CA . GLY C 352 0.3108 0.9248 0.9503 -0.0263 0.1461 -0.0041 374 GLY C CA ? ? 1 +11638 C C . GLY C 352 0.3249 0.9225 0.9441 -0.0242 0.1480 -0.0031 374 GLY C C ? ? 1 +11639 O O . GLY C 352 0.3355 0.9293 0.9490 -0.0243 0.1563 -0.0041 374 GLY C O ? ? 1 +11640 N N . LEU C 353 0.3237 0.9119 0.9322 -0.0226 0.1401 -0.0012 375 LEU C N ? ? 1 +11641 C CA . LEU C 353 0.3379 0.9106 0.9270 -0.0204 0.1405 -0.0004 375 LEU C CA ? ? 1 +11642 C CB . LEU C 353 0.3351 0.9003 0.9160 -0.0188 0.1303 0.0015 375 LEU C CB ? ? 1 +11643 C CG . LEU C 353 0.3253 0.8963 0.9138 -0.0150 0.1229 0.0004 375 LEU C CG ? ? 1 +11644 C CD1 . LEU C 353 0.3247 0.8878 0.9045 -0.0139 0.1140 0.0021 375 LEU C CD1 ? ? 1 +11645 C CD2 . LEU C 353 0.3330 0.9026 0.9191 -0.0108 0.1258 -0.0020 375 LEU C CD2 ? ? 1 +11646 C C . LEU C 353 0.3507 0.9147 0.9290 -0.0241 0.1480 0.0010 375 LEU C C ? ? 1 +11647 O O . LEU C 353 0.3472 0.9122 0.9278 -0.0283 0.1481 0.0026 375 LEU C O ? ? 1 +11648 N N . ASP C 354 0.3680 0.9231 0.9342 -0.0225 0.1544 0.0002 376 ASP C N ? ? 1 +11649 C CA . ASP C 354 0.3844 0.9308 0.9398 -0.0257 0.1629 0.0013 376 ASP C CA ? ? 1 +11650 C CB . ASP C 354 0.3948 0.9427 0.9506 -0.0248 0.1730 -0.0011 376 ASP C CB ? ? 1 +11651 C CG . ASP C 354 0.4089 0.9518 0.9586 -0.0291 0.1832 -0.0004 376 ASP C CG ? ? 1 +11652 O OD1 . ASP C 354 0.4176 0.9472 0.9517 -0.0307 0.1831 0.0021 376 ASP C OD1 ? ? 1 +11653 O OD2 . ASP C 354 0.4195 0.9714 0.9796 -0.0307 0.1915 -0.0024 376 ASP C OD2 ? ? 1 +11654 C C . ASP C 354 0.3959 0.9247 0.9298 -0.0246 0.1597 0.0035 376 ASP C C ? ? 1 +11655 O O . ASP C 354 0.3997 0.9203 0.9225 -0.0204 0.1571 0.0029 376 ASP C O ? ? 1 +11656 N N . LEU C 355 0.4025 0.9252 0.9300 -0.0283 0.1603 0.0060 377 LEU C N ? ? 1 +11657 C CA . LEU C 355 0.4194 0.9263 0.9275 -0.0272 0.1562 0.0082 377 LEU C CA ? ? 1 +11658 C CB . LEU C 355 0.4178 0.9212 0.9234 -0.0315 0.1561 0.0109 377 LEU C CB ? ? 1 +11659 C CG . LEU C 355 0.4235 0.9122 0.9112 -0.0300 0.1499 0.0133 377 LEU C CG ? ? 1 +11660 C CD1 . LEU C 355 0.4128 0.9035 0.9024 -0.0263 0.1386 0.0131 377 LEU C CD1 ? ? 1 +11661 C CD2 . LEU C 355 0.4220 0.9084 0.9089 -0.0342 0.1501 0.0158 377 LEU C CD2 ? ? 1 +11662 C C . LEU C 355 0.4483 0.9414 0.9380 -0.0250 0.1624 0.0080 377 LEU C C ? ? 1 +11663 O O . LEU C 355 0.4623 0.9437 0.9367 -0.0217 0.1575 0.0086 377 LEU C O ? ? 1 +11664 N N . ASN C 356 0.4648 0.9596 0.9562 -0.0270 0.1731 0.0069 378 ASN C N ? ? 1 +11665 C CA . ASN C 356 0.4911 0.9731 0.9653 -0.0251 0.1800 0.0065 378 ASN C CA ? ? 1 +11666 C CB . ASN C 356 0.5055 0.9904 0.9834 -0.0287 0.1925 0.0057 378 ASN C CB ? ? 1 +11667 C CG . ASN C 356 0.5209 0.9995 0.9930 -0.0338 0.1962 0.0083 378 ASN C CG ? ? 1 +11668 O OD1 . ASN C 356 0.5266 1.0154 1.0128 -0.0385 0.1999 0.0082 378 ASN C OD1 ? ? 1 +11669 N ND2 . ASN C 356 0.5367 0.9980 0.9875 -0.0328 0.1949 0.0106 378 ASN C ND2 ? ? 1 +11670 C C . ASN C 356 0.4920 0.9734 0.9637 -0.0196 0.1772 0.0042 378 ASN C C ? ? 1 +11671 O O . ASN C 356 0.5069 0.9744 0.9603 -0.0165 0.1761 0.0045 378 ASN C O ? ? 1 +11672 N N . LYS C 357 0.4779 0.9740 0.9676 -0.0184 0.1758 0.0019 379 LYS C N ? ? 1 +11673 C CA . LYS C 357 0.4765 0.9727 0.9653 -0.0132 0.1728 -0.0003 379 LYS C CA ? ? 1 +11674 C CB . LYS C 357 0.4624 0.9761 0.9729 -0.0125 0.1732 -0.0028 379 LYS C CB ? ? 1 +11675 C CG . LYS C 357 0.4688 0.9899 0.9875 -0.0145 0.1847 -0.0045 379 LYS C CG ? ? 1 +11676 C CD . LYS C 357 0.4566 0.9954 0.9970 -0.0133 0.1844 -0.0070 379 LYS C CD ? ? 1 +11677 C CE . LYS C 357 0.4574 1.0066 1.0098 -0.0160 0.1948 -0.0088 379 LYS C CE ? ? 1 +11678 N NZ . LYS C 357 0.4779 1.0192 1.0190 -0.0140 0.2037 -0.0102 379 LYS C NZ ? ? 1 +11679 C C . LYS C 357 0.4709 0.9599 0.9511 -0.0102 0.1614 0.0006 379 LYS C C ? ? 1 +11680 O O . LYS C 357 0.4764 0.9569 0.9452 -0.0061 0.1592 -0.0005 379 LYS C O ? ? 1 +11681 N N . ILE C 358 0.4613 0.9537 0.9470 -0.0123 0.1541 0.0025 380 ILE C N ? ? 1 +11682 C CA . ILE C 358 0.4603 0.9462 0.9384 -0.0100 0.1435 0.0034 380 ILE C CA ? ? 1 +11683 C CB . ILE C 358 0.4456 0.9395 0.9351 -0.0127 0.1366 0.0052 380 ILE C CB ? ? 1 +11684 C CG1 . ILE C 358 0.4308 0.9411 0.9414 -0.0125 0.1341 0.0036 380 ILE C CG1 ? ? 1 +11685 C CG2 . ILE C 358 0.4451 0.9303 0.9240 -0.0111 0.1268 0.0066 380 ILE C CG2 ? ? 1 +11686 C CD1 . ILE C 358 0.4188 0.9386 0.9424 -0.0158 0.1300 0.0050 380 ILE C CD1 ? ? 1 +11687 C C . ILE C 358 0.4784 0.9465 0.9334 -0.0088 0.1436 0.0048 380 ILE C C ? ? 1 +11688 O O . ILE C 358 0.4831 0.9432 0.9275 -0.0051 0.1384 0.0040 380 ILE C O ? ? 1 +11689 N N . LYS C 359 0.4912 0.9526 0.9379 -0.0118 0.1495 0.0066 381 LYS C N ? ? 1 +11690 C CA . LYS C 359 0.5134 0.9572 0.9374 -0.0106 0.1500 0.0081 381 LYS C CA ? ? 1 +11691 C CB . LYS C 359 0.5235 0.9622 0.9420 -0.0147 0.1563 0.0105 381 LYS C CB ? ? 1 +11692 C CG . LYS C 359 0.5148 0.9575 0.9400 -0.0176 0.1503 0.0127 381 LYS C CG ? ? 1 +11693 C CD . LYS C 359 0.5307 0.9654 0.9471 -0.0212 0.1568 0.0151 381 LYS C CD ? ? 1 +11694 C CE . LYS C 359 0.5264 0.9656 0.9505 -0.0244 0.1523 0.0171 381 LYS C CE ? ? 1 +11695 N NZ . LYS C 359 0.5435 0.9748 0.9595 -0.0284 0.1599 0.0193 381 LYS C NZ ? ? 1 +11696 C C . LYS C 359 0.5343 0.9681 0.9440 -0.0071 0.1551 0.0064 381 LYS C C ? ? 1 +11697 O O . LYS C 359 0.5509 0.9706 0.9420 -0.0045 0.1519 0.0068 381 LYS C O ? ? 1 +11698 N N . ASN C 360 0.5380 0.9788 0.9560 -0.0070 0.1631 0.0042 382 ASN C N ? ? 1 +11699 C CA . ASN C 360 0.5565 0.9873 0.9604 -0.0044 0.1701 0.0028 382 ASN C CA ? ? 1 +11700 C CB . ASN C 360 0.5709 1.0024 0.9756 -0.0079 0.1827 0.0031 382 ASN C CB ? ? 1 +11701 C CG . ASN C 360 0.5845 1.0089 0.9814 -0.0118 0.1845 0.0062 382 ASN C CG ? ? 1 +11702 O OD1 . ASN C 360 0.6097 1.0180 0.9860 -0.0107 0.1841 0.0078 382 ASN C OD1 ? ? 1 +11703 N ND2 . ASN C 360 0.5767 1.0122 0.9891 -0.0164 0.1867 0.0071 382 ASN C ND2 ? ? 1 +11704 C C . ASN C 360 0.5515 0.9870 0.9605 -0.0004 0.1697 -0.0004 382 ASN C C ? ? 1 +11705 O O . ASN C 360 0.5634 0.9877 0.9570 0.0030 0.1716 -0.0015 382 ASN C O ? ? 1 +11706 N N . ASP C 361 0.5352 0.9866 0.9649 -0.0005 0.1673 -0.0018 383 ASP C N ? ? 1 +11707 C CA . ASP C 361 0.5362 0.9937 0.9731 0.0029 0.1695 -0.0049 383 ASP C CA ? ? 1 +11708 C CB . ASP C 361 0.5320 1.0051 0.9884 0.0005 0.1771 -0.0060 383 ASP C CB ? ? 1 +11709 C CG . ASP C 361 0.5505 1.0210 1.0028 -0.0029 0.1885 -0.0053 383 ASP C CG ? ? 1 +11710 O OD1 . ASP C 361 0.5741 1.0298 1.0070 -0.0021 0.1929 -0.0047 383 ASP C OD1 ? ? 1 +11711 O OD2 . ASP C 361 0.5534 1.0363 1.0215 -0.0065 0.1931 -0.0054 383 ASP C OD2 ? ? 1 +11712 C C . ASP C 361 0.5220 0.9843 0.9659 0.0061 0.1595 -0.0062 383 ASP C C ? ? 1 +11713 O O . ASP C 361 0.5158 0.9850 0.9684 0.0088 0.1610 -0.0087 383 ASP C O ? ? 1 +11714 N N . ILE C 362 0.5110 0.9694 0.9510 0.0060 0.1496 -0.0046 384 ILE C N ? ? 1 +11715 C CA . ILE C 362 0.5005 0.9617 0.9453 0.0088 0.1401 -0.0058 384 ILE C CA ? ? 1 +11716 C CB . ILE C 362 0.4915 0.9527 0.9374 0.0072 0.1299 -0.0038 384 ILE C CB ? ? 1 +11717 C CG1 . ILE C 362 0.4772 0.9494 0.9374 0.0027 0.1310 -0.0018 384 ILE C CG1 ? ? 1 +11718 C CG2 . ILE C 362 0.4837 0.9480 0.9351 0.0098 0.1208 -0.0052 384 ILE C CG2 ? ? 1 +11719 C CD1 . ILE C 362 0.4618 0.9392 0.9298 0.0014 0.1214 -0.0003 384 ILE C CD1 ? ? 1 +11720 C C . ILE C 362 0.5145 0.9634 0.9433 0.0131 0.1395 -0.0078 384 ILE C C ? ? 1 +11721 O O . ILE C 362 0.5285 0.9637 0.9390 0.0138 0.1382 -0.0070 384 ILE C O ? ? 1 +11722 N N . GLN C 363 0.5125 0.9664 0.9482 0.0162 0.1404 -0.0104 385 GLN C N ? ? 1 +11723 C CA . GLN C 363 0.5229 0.9659 0.9449 0.0205 0.1399 -0.0127 385 GLN C CA ? ? 1 +11724 C CB . GLN C 363 0.5334 0.9832 0.9639 0.0231 0.1466 -0.0153 385 GLN C CB ? ? 1 +11725 C CG . GLN C 363 0.5497 1.0023 0.9818 0.0215 0.1585 -0.0153 385 GLN C CG ? ? 1 +11726 C CD . GLN C 363 0.5800 1.0170 0.9907 0.0212 0.1626 -0.0143 385 GLN C CD ? ? 1 +11727 O OE1 . GLN C 363 0.6005 1.0249 0.9949 0.0246 0.1615 -0.0156 385 GLN C OE1 ? ? 1 +11728 N NE2 . GLN C 363 0.5890 1.0257 0.9984 0.0172 0.1671 -0.0119 385 GLN C NE2 ? ? 1 +11729 C C . GLN C 363 0.5053 0.9452 0.9252 0.0222 0.1285 -0.0131 385 GLN C C ? ? 1 +11730 O O . GLN C 363 0.4889 0.9379 0.9219 0.0206 0.1222 -0.0122 385 GLN C O ? ? 1 +11731 N N . PRO C 364 0.5060 0.9326 0.9090 0.0252 0.1256 -0.0146 386 PRO C N ? ? 1 +11732 C CA . PRO C 364 0.4958 0.9192 0.8969 0.0267 0.1151 -0.0155 386 PRO C CA ? ? 1 +11733 C CB . PRO C 364 0.5154 0.9230 0.8957 0.0300 0.1152 -0.0174 386 PRO C CB ? ? 1 +11734 C CG . PRO C 364 0.5309 0.9317 0.8996 0.0293 0.1240 -0.0162 386 PRO C CG ? ? 1 +11735 C CD . PRO C 364 0.5236 0.9371 0.9081 0.0272 0.1323 -0.0155 386 PRO C CD ? ? 1 +11736 C C . PRO C 364 0.4765 0.9104 0.8936 0.0280 0.1118 -0.0171 386 PRO C C ? ? 1 +11737 O O . PRO C 364 0.4640 0.9004 0.8862 0.0274 0.1030 -0.0168 386 PRO C O ? ? 1 +11738 N N . TRP C 365 0.4704 0.9105 0.8956 0.0299 0.1188 -0.0187 387 TRP C N ? ? 1 +11739 C CA . TRP C 365 0.4552 0.9044 0.8946 0.0317 0.1158 -0.0202 387 TRP C CA ? ? 1 +11740 C CB . TRP C 365 0.4595 0.9123 0.9032 0.0348 0.1242 -0.0226 387 TRP C CB ? ? 1 +11741 C CG . TRP C 365 0.4546 0.9184 0.9099 0.0329 0.1328 -0.0218 387 TRP C CG ? ? 1 +11742 C CD1 . TRP C 365 0.4653 0.9256 0.9134 0.0320 0.1418 -0.0214 387 TRP C CD1 ? ? 1 +11743 N NE1 . TRP C 365 0.4563 0.9300 0.9200 0.0299 0.1480 -0.0210 387 TRP C NE1 ? ? 1 +11744 C CE2 . TRP C 365 0.4393 0.9253 0.9204 0.0299 0.1428 -0.0210 387 TRP C CE2 ? ? 1 +11745 C CZ2 . TRP C 365 0.4258 0.9276 0.9264 0.0283 0.1454 -0.0209 387 TRP C CZ2 ? ? 1 +11746 C CH2 . TRP C 365 0.4111 0.9220 0.9253 0.0290 0.1384 -0.0209 387 TRP C CH2 ? ? 1 +11747 C CZ3 . TRP C 365 0.4096 0.9140 0.9186 0.0309 0.1294 -0.0211 387 TRP C CZ3 ? ? 1 +11748 C CE3 . TRP C 365 0.4228 0.9121 0.9133 0.0321 0.1269 -0.0214 387 TRP C CE3 ? ? 1 +11749 C CD2 . TRP C 365 0.4379 0.9177 0.9139 0.0318 0.1334 -0.0214 387 TRP C CD2 ? ? 1 +11750 C C . TRP C 365 0.4324 0.8952 0.8900 0.0286 0.1117 -0.0183 387 TRP C C ? ? 1 +11751 O O . TRP C 365 0.4215 0.8894 0.8882 0.0295 0.1057 -0.0189 387 TRP C O ? ? 1 +11752 N N . GLN C 366 0.4250 0.8931 0.8871 0.0251 0.1152 -0.0161 388 GLN C N ? ? 1 +11753 C CA . GLN C 366 0.4057 0.8858 0.8836 0.0219 0.1116 -0.0141 388 GLN C CA ? ? 1 +11754 C CB . GLN C 366 0.4050 0.8907 0.8875 0.0185 0.1187 -0.0124 388 GLN C CB ? ? 1 +11755 C CG . GLN C 366 0.4089 0.9016 0.8991 0.0196 0.1283 -0.0140 388 GLN C CG ? ? 1 +11756 C CD . GLN C 366 0.4110 0.9074 0.9037 0.0159 0.1360 -0.0126 388 GLN C CD ? ? 1 +11757 O OE1 . GLN C 366 0.4248 0.9108 0.9030 0.0150 0.1404 -0.0118 388 GLN C OE1 ? ? 1 +11758 N NE2 . GLN C 366 0.3988 0.9097 0.9096 0.0138 0.1380 -0.0123 388 GLN C NE2 ? ? 1 +11759 C C . GLN C 366 0.3980 0.8741 0.8719 0.0202 0.1018 -0.0125 388 GLN C C ? ? 1 +11760 O O . GLN C 366 0.3826 0.8666 0.8684 0.0192 0.0958 -0.0119 388 GLN C O ? ? 1 +11761 N N . GLU C 367 0.4079 0.8716 0.8650 0.0200 0.1002 -0.0119 389 GLU C N ? ? 1 +11762 C CA . GLU C 367 0.4044 0.8635 0.8566 0.0190 0.0907 -0.0109 389 GLU C CA ? ? 1 +11763 C CB . GLU C 367 0.4215 0.8669 0.8542 0.0191 0.0907 -0.0103 389 GLU C CB ? ? 1 +11764 C CG . GLU C 367 0.4205 0.8617 0.8482 0.0181 0.0810 -0.0093 389 GLU C CG ? ? 1 +11765 C CD . GLU C 367 0.4369 0.8647 0.8454 0.0185 0.0803 -0.0087 389 GLU C CD ? ? 1 +11766 O OE1 . GLU C 367 0.4507 0.8721 0.8491 0.0192 0.0880 -0.0087 389 GLU C OE1 ? ? 1 +11767 O OE2 . GLU C 367 0.4376 0.8614 0.8411 0.0183 0.0721 -0.0084 389 GLU C OE2 ? ? 1 +11768 C C . GLU C 367 0.3991 0.8570 0.8527 0.0213 0.0838 -0.0129 389 GLU C C ? ? 1 +11769 O O . GLU C 367 0.3881 0.8504 0.8489 0.0199 0.0764 -0.0121 389 GLU C O ? ? 1 +11770 N N . ARG C 368 0.4079 0.8595 0.8543 0.0247 0.0864 -0.0155 390 ARG C N ? ? 1 +11771 C CA . ARG C 368 0.4046 0.8546 0.8524 0.0269 0.0808 -0.0176 390 ARG C CA ? ? 1 +11772 C CB . ARG C 368 0.4182 0.8605 0.8569 0.0309 0.0855 -0.0204 390 ARG C CB ? ? 1 +11773 C CG . ARG C 368 0.4355 0.8626 0.8540 0.0324 0.0838 -0.0218 390 ARG C CG ? ? 1 +11774 C CD . ARG C 368 0.4471 0.8671 0.8585 0.0364 0.0862 -0.0249 390 ARG C CD ? ? 1 +11775 N NE . ARG C 368 0.4504 0.8745 0.8658 0.0384 0.0961 -0.0257 390 ARG C NE ? ? 1 +11776 C CZ . ARG C 368 0.4624 0.8810 0.8676 0.0391 0.1038 -0.0257 390 ARG C CZ ? ? 1 +11777 N NH1 . ARG C 368 0.4723 0.8820 0.8636 0.0377 0.1034 -0.0245 390 ARG C NH1 ? ? 1 +11778 N NH2 . ARG C 368 0.4656 0.8875 0.8744 0.0415 0.1124 -0.0271 390 ARG C NH2 ? ? 1 +11779 C C . ARG C 368 0.3871 0.8500 0.8537 0.0264 0.0790 -0.0173 390 ARG C C ? ? 1 +11780 O O . ARG C 368 0.3793 0.8438 0.8505 0.0257 0.0714 -0.0171 390 ARG C O ? ? 1 +11781 N N A ARG C 369 0.3812 0.8532 0.8584 0.0270 0.0860 -0.0173 391 ARG C N ? ? 1 +11782 N N B ARG C 369 0.3824 0.8543 0.8595 0.0270 0.0860 -0.0173 391 ARG C N ? ? 1 +11783 C CA A ARG C 369 0.3659 0.8501 0.8605 0.0272 0.0849 -0.0172 391 ARG C CA ? ? 1 +11784 C CA B ARG C 369 0.3675 0.8518 0.8622 0.0271 0.0848 -0.0172 391 ARG C CA ? ? 1 +11785 C C A ARG C 369 0.3495 0.8411 0.8538 0.0237 0.0788 -0.0148 391 ARG C C ? ? 1 +11786 C C B ARG C 369 0.3507 0.8423 0.8551 0.0236 0.0788 -0.0147 391 ARG C C ? ? 1 +11787 O O A ARG C 369 0.3403 0.8362 0.8530 0.0238 0.0732 -0.0148 391 ARG C O ? ? 1 +11788 O O B ARG C 369 0.3415 0.8374 0.8542 0.0237 0.0732 -0.0148 391 ARG C O ? ? 1 +11789 C CB A ARG C 369 0.3643 0.8576 0.8684 0.0280 0.0938 -0.0176 391 ARG C CB ? ? 1 +11790 C CB B ARG C 369 0.3667 0.8605 0.8715 0.0278 0.0935 -0.0175 391 ARG C CB ? ? 1 +11791 C CG A ARG C 369 0.3537 0.8580 0.8738 0.0298 0.0932 -0.0184 391 ARG C CG ? ? 1 +11792 C CG B ARG C 369 0.3747 0.8678 0.8800 0.0323 0.0976 -0.0203 391 ARG C CG ? ? 1 +11793 C CD A ARG C 369 0.3620 0.8600 0.8772 0.0342 0.0921 -0.0211 391 ARG C CD ? ? 1 +11794 C CD B ARG C 369 0.3692 0.8656 0.8825 0.0346 0.0920 -0.0213 391 ARG C CD ? ? 1 +11795 N NE A ARG C 369 0.3748 0.8696 0.8845 0.0375 0.1002 -0.0232 391 ARG C NE ? ? 1 +11796 N NE B ARG C 369 0.3831 0.8721 0.8888 0.0391 0.0947 -0.0241 391 ARG C NE ? ? 1 +11797 C CZ A ARG C 369 0.3726 0.8769 0.8930 0.0392 0.1068 -0.0241 391 ARG C CZ ? ? 1 +11798 C CZ B ARG C 369 0.3926 0.8706 0.8875 0.0407 0.0897 -0.0255 391 ARG C CZ ? ? 1 +11799 N NH1 A ARG C 369 0.3585 0.8764 0.8956 0.0379 0.1064 -0.0231 391 ARG C NH1 ? ? 1 +11800 N NH1 B ARG C 369 0.3922 0.8699 0.8908 0.0436 0.0868 -0.0270 391 ARG C NH1 ? ? 1 +11801 N NH2 A ARG C 369 0.3853 0.8856 0.8993 0.0423 0.1140 -0.0263 391 ARG C NH2 ? ? 1 +11802 N NH2 B ARG C 369 0.4033 0.8698 0.8826 0.0396 0.0881 -0.0255 391 ARG C NH2 ? ? 1 +11803 N N A ALA C 370 0.3465 0.8389 0.8491 0.0205 0.0801 -0.0127 392 ALA C N ? ? 1 +11804 N N B ALA C 370 0.3471 0.8397 0.8499 0.0204 0.0801 -0.0126 392 ALA C N ? ? 1 +11805 C CA A ALA C 370 0.3324 0.8316 0.8437 0.0171 0.0751 -0.0103 392 ALA C CA ? ? 1 +11806 C CA B ALA C 370 0.3327 0.8320 0.8441 0.0170 0.0750 -0.0102 392 ALA C CA ? ? 1 +11807 C C A ALA C 370 0.3299 0.8237 0.8365 0.0166 0.0659 -0.0101 392 ALA C C ? ? 1 +11808 C C B ALA C 370 0.3299 0.8238 0.8365 0.0165 0.0658 -0.0101 392 ALA C C ? ? 1 +11809 O O A ALA C 370 0.3174 0.8181 0.8343 0.0151 0.0606 -0.0092 392 ALA C O ? ? 1 +11810 O O B ALA C 370 0.3173 0.8179 0.8340 0.0151 0.0606 -0.0091 392 ALA C O ? ? 1 +11811 C CB A ALA C 370 0.3337 0.8330 0.8420 0.0142 0.0788 -0.0083 392 ALA C CB ? ? 1 +11812 C CB B ALA C 370 0.3341 0.8332 0.8422 0.0141 0.0787 -0.0082 392 ALA C CB ? ? 1 +11813 N N . ALA C 371 0.3420 0.8237 0.8330 0.0177 0.0640 -0.0112 393 ALA C N ? ? 1 +11814 C CA . ALA C 371 0.3410 0.8171 0.8267 0.0173 0.0554 -0.0115 393 ALA C CA ? ? 1 +11815 C CB . ALA C 371 0.3568 0.8196 0.8243 0.0185 0.0547 -0.0127 393 ALA C CB ? ? 1 +11816 C C . ALA C 371 0.3354 0.8131 0.8273 0.0189 0.0516 -0.0132 393 ALA C C ? ? 1 +11817 O O . ALA C 371 0.3274 0.8076 0.8246 0.0173 0.0449 -0.0127 393 ALA C O ? ? 1 +11818 N N A GLU C 372 0.3411 0.8173 0.8322 0.0220 0.0563 -0.0152 394 GLU C N ? ? 1 +11819 N N B GLU C 372 0.3406 0.8167 0.8316 0.0220 0.0563 -0.0152 394 GLU C N ? ? 1 +11820 C CA A GLU C 372 0.3381 0.8154 0.8348 0.0240 0.0538 -0.0168 394 GLU C CA ? ? 1 +11821 C CA B GLU C 372 0.3371 0.8143 0.8338 0.0239 0.0537 -0.0168 394 GLU C CA ? ? 1 +11822 C C A GLU C 372 0.3214 0.8110 0.8351 0.0226 0.0520 -0.0152 394 GLU C C ? ? 1 +11823 C C B GLU C 372 0.3199 0.8095 0.8336 0.0226 0.0520 -0.0152 394 GLU C C ? ? 1 +11824 O O A GLU C 372 0.3157 0.8059 0.8337 0.0222 0.0461 -0.0154 394 GLU C O ? ? 1 +11825 O O B GLU C 372 0.3138 0.8042 0.8320 0.0221 0.0462 -0.0153 394 GLU C O ? ? 1 +11826 C CB A GLU C 372 0.3479 0.8222 0.8413 0.0279 0.0604 -0.0191 394 GLU C CB ? ? 1 +11827 C CB B GLU C 372 0.3471 0.8211 0.8402 0.0279 0.0603 -0.0191 394 GLU C CB ? ? 1 +11828 C CG A GLU C 372 0.3465 0.8213 0.8452 0.0305 0.0585 -0.0208 394 GLU C CG ? ? 1 +11829 C CG B GLU C 372 0.3458 0.8202 0.8441 0.0305 0.0584 -0.0208 394 GLU C CG ? ? 1 +11830 C CD A GLU C 372 0.3525 0.8176 0.8427 0.0306 0.0516 -0.0223 394 GLU C CD ? ? 1 +11831 C CD B GLU C 372 0.3518 0.8165 0.8417 0.0306 0.0514 -0.0224 394 GLU C CD ? ? 1 +11832 O OE1 A GLU C 372 0.3592 0.8168 0.8385 0.0290 0.0484 -0.0223 394 GLU C OE1 ? ? 1 +11833 O OE1 B GLU C 372 0.3590 0.8160 0.8378 0.0291 0.0483 -0.0225 394 GLU C OE1 ? ? 1 +11834 O OE2 A GLU C 372 0.3509 0.8158 0.8453 0.0322 0.0493 -0.0234 394 GLU C OE2 ? ? 1 +11835 O OE2 B GLU C 372 0.3497 0.8146 0.8443 0.0322 0.0491 -0.0234 394 GLU C OE2 ? ? 1 +11836 N N A TYR C 373 0.3140 0.8130 0.8370 0.0218 0.0570 -0.0139 395 TYR C N ? ? 1 +11837 N N B TYR C 373 0.3124 0.8113 0.8352 0.0219 0.0571 -0.0139 395 TYR C N ? ? 1 +11838 C CA A TYR C 373 0.2993 0.8100 0.8382 0.0211 0.0558 -0.0126 395 TYR C CA ? ? 1 +11839 C CA B TYR C 373 0.2974 0.8082 0.8362 0.0211 0.0561 -0.0126 395 TYR C CA ? ? 1 +11840 C C A TYR C 373 0.2888 0.8029 0.8320 0.0174 0.0496 -0.0104 395 TYR C C ? ? 1 +11841 C C B TYR C 373 0.2866 0.8010 0.8300 0.0174 0.0500 -0.0104 395 TYR C C ? ? 1 +11842 O O A TYR C 373 0.2794 0.7987 0.8316 0.0169 0.0453 -0.0098 395 TYR C O ? ? 1 +11843 O O B TYR C 373 0.2766 0.7968 0.8296 0.0169 0.0459 -0.0097 395 TYR C O ? ? 1 +11844 C CB A TYR C 373 0.2954 0.8154 0.8431 0.0213 0.0631 -0.0122 395 TYR C CB ? ? 1 +11845 C CB B TYR C 373 0.2937 0.8136 0.8412 0.0214 0.0634 -0.0123 395 TYR C CB ? ? 1 +11846 C CG A TYR C 373 0.3017 0.8219 0.8503 0.0254 0.0685 -0.0145 395 TYR C CG ? ? 1 +11847 C CG B TYR C 373 0.3002 0.8202 0.8485 0.0255 0.0689 -0.0146 395 TYR C CG ? ? 1 +11848 C CD1 A TYR C 373 0.3087 0.8217 0.8517 0.0286 0.0663 -0.0166 395 TYR C CD1 ? ? 1 +11849 C CD1 B TYR C 373 0.3072 0.8199 0.8498 0.0287 0.0667 -0.0167 395 TYR C CD1 ? ? 1 +11850 C CD2 A TYR C 373 0.3014 0.8289 0.8563 0.0261 0.0760 -0.0148 395 TYR C CD2 ? ? 1 +11851 C CD2 B TYR C 373 0.2997 0.8272 0.8546 0.0262 0.0763 -0.0149 395 TYR C CD2 ? ? 1 +11852 C CE1 A TYR C 373 0.3151 0.8279 0.8586 0.0327 0.0713 -0.0187 395 TYR C CE1 ? ? 1 +11853 C CE1 B TYR C 373 0.3136 0.8263 0.8568 0.0328 0.0717 -0.0188 395 TYR C CE1 ? ? 1 +11854 C CE2 A TYR C 373 0.3074 0.8356 0.8636 0.0301 0.0811 -0.0171 395 TYR C CE2 ? ? 1 +11855 C CE2 B TYR C 373 0.3057 0.8339 0.8619 0.0302 0.0814 -0.0172 395 TYR C CE2 ? ? 1 +11856 C CZ A TYR C 373 0.3144 0.8351 0.8647 0.0336 0.0787 -0.0190 395 TYR C CZ ? ? 1 +11857 C CZ B TYR C 373 0.3128 0.8336 0.8631 0.0337 0.0791 -0.0191 395 TYR C CZ ? ? 1 +11858 O OH A TYR C 373 0.3209 0.8422 0.8723 0.0379 0.0839 -0.0213 395 TYR C OH ? ? 1 +11859 O OH B TYR C 373 0.3191 0.8406 0.8706 0.0380 0.0843 -0.0214 395 TYR C OH ? ? 1 +11860 N N A MET C 374 0.2915 0.8023 0.8277 0.0151 0.0493 -0.0092 396 MET C N ? ? 1 +11861 N N B MET C 374 0.2892 0.8001 0.8255 0.0151 0.0495 -0.0092 396 MET C N ? ? 1 +11862 C CA A MET C 374 0.2830 0.7964 0.8222 0.0118 0.0436 -0.0072 396 MET C CA ? ? 1 +11863 C CA B MET C 374 0.2807 0.7942 0.8200 0.0118 0.0437 -0.0072 396 MET C CA ? ? 1 +11864 C C A MET C 374 0.2824 0.7911 0.8190 0.0117 0.0361 -0.0080 396 MET C C ? ? 1 +11865 C C B MET C 374 0.2797 0.7888 0.8168 0.0117 0.0363 -0.0079 396 MET C C ? ? 1 +11866 O O A MET C 374 0.2723 0.7859 0.8163 0.0096 0.0312 -0.0067 396 MET C O ? ? 1 +11867 O O B MET C 374 0.2694 0.7836 0.8142 0.0097 0.0315 -0.0067 396 MET C O ? ? 1 +11868 C CB A MET C 374 0.2892 0.7978 0.8189 0.0101 0.0447 -0.0060 396 MET C CB ? ? 1 +11869 C CB B MET C 374 0.2872 0.7958 0.8169 0.0101 0.0448 -0.0060 396 MET C CB ? ? 1 +11870 C CG A MET C 374 0.2858 0.7930 0.8137 0.0077 0.0378 -0.0048 396 MET C CG ? ? 1 +11871 C CG B MET C 374 0.2839 0.7911 0.8117 0.0077 0.0378 -0.0048 396 MET C CG ? ? 1 +11872 S SD A MET C 374 0.2967 0.7953 0.8101 0.0068 0.0381 -0.0039 396 MET C SD ? ? 1 +11873 S SD B MET C 374 0.2942 0.7935 0.8084 0.0066 0.0383 -0.0037 396 MET C SD ? ? 1 +11874 C CE A MET C 374 0.2898 0.7887 0.8045 0.0046 0.0283 -0.0030 396 MET C CE ? ? 1 +11875 C CE B MET C 374 0.2878 0.7872 0.8030 0.0046 0.0285 -0.0029 396 MET C CE ? ? 1 +11876 N N A THR C 375 0.2935 0.7926 0.8197 0.0138 0.0355 -0.0102 397 THR C N ? ? 1 +11877 N N B THR C 375 0.2908 0.7900 0.8170 0.0138 0.0354 -0.0102 397 THR C N ? ? 1 +11878 C CA A THR C 375 0.2948 0.7885 0.8176 0.0135 0.0287 -0.0114 397 THR C CA ? ? 1 +11879 C CA B THR C 375 0.2919 0.7857 0.8148 0.0135 0.0286 -0.0113 397 THR C CA ? ? 1 +11880 C C A THR C 375 0.2927 0.7872 0.8212 0.0154 0.0280 -0.0127 397 THR C C ? ? 1 +11881 C C B THR C 375 0.2894 0.7842 0.8182 0.0153 0.0279 -0.0126 397 THR C C ? ? 1 +11882 O O A THR C 375 0.2959 0.7846 0.8207 0.0154 0.0232 -0.0141 397 THR C O ? ? 1 +11883 O O B THR C 375 0.2920 0.7813 0.8175 0.0151 0.0230 -0.0139 397 THR C O ? ? 1 +11884 C CB A THR C 375 0.3093 0.7911 0.8164 0.0144 0.0274 -0.0132 397 THR C CB ? ? 1 +11885 C CB B THR C 375 0.3065 0.7883 0.8136 0.0144 0.0274 -0.0132 397 THR C CB ? ? 1 +11886 O OG1 A THR C 375 0.3198 0.7967 0.8204 0.0176 0.0334 -0.0149 397 THR C OG1 ? ? 1 +11887 O OG1 B THR C 375 0.3170 0.7940 0.8178 0.0175 0.0334 -0.0149 397 THR C OG1 ? ? 1 +11888 C CG2 A THR C 375 0.3116 0.7914 0.8121 0.0126 0.0263 -0.0119 397 THR C CG2 ? ? 1 +11889 C CG2 B THR C 375 0.3090 0.7887 0.8094 0.0126 0.0263 -0.0119 397 THR C CG2 ? ? 1 +11890 N N A HIS C 376 0.2873 0.7890 0.8248 0.0171 0.0328 -0.0124 398 HIS C N ? ? 1 +11891 N N B HIS C 376 0.2847 0.7861 0.8219 0.0172 0.0329 -0.0124 398 HIS C N ? ? 1 +11892 C CA A HIS C 376 0.2837 0.7876 0.8282 0.0191 0.0320 -0.0132 398 HIS C CA ? ? 1 +11893 C CA B HIS C 376 0.2809 0.7845 0.8251 0.0192 0.0321 -0.0132 398 HIS C CA ? ? 1 +11894 C C A HIS C 376 0.2701 0.7862 0.8292 0.0185 0.0331 -0.0112 398 HIS C C ? ? 1 +11895 C C B HIS C 376 0.2673 0.7832 0.8261 0.0185 0.0332 -0.0113 398 HIS C C ? ? 1 +11896 O O A HIS C 376 0.2682 0.7883 0.8341 0.0210 0.0353 -0.0118 398 HIS C O ? ? 1 +11897 O O B HIS C 376 0.2656 0.7855 0.8311 0.0212 0.0357 -0.0118 398 HIS C O ? ? 1 +11898 C CB A HIS C 376 0.2942 0.7927 0.8333 0.0233 0.0367 -0.0156 398 HIS C CB ? ? 1 +11899 C CB B HIS C 376 0.2915 0.7897 0.8301 0.0233 0.0368 -0.0156 398 HIS C CB ? ? 1 +11900 C CG A HIS C 376 0.3077 0.7935 0.8324 0.0242 0.0350 -0.0179 398 HIS C CG ? ? 1 +11901 C CG B HIS C 376 0.3048 0.7903 0.8291 0.0242 0.0351 -0.0179 398 HIS C CG ? ? 1 +11902 N ND1 A HIS C 376 0.3164 0.7961 0.8299 0.0237 0.0366 -0.0183 398 HIS C ND1 ? ? 1 +11903 N ND1 B HIS C 376 0.3135 0.7928 0.8265 0.0237 0.0365 -0.0183 398 HIS C ND1 ? ? 1 +11904 C CD2 A HIS C 376 0.3143 0.7922 0.8340 0.0256 0.0319 -0.0199 398 HIS C CD2 ? ? 1 +11905 C CD2 B HIS C 376 0.3113 0.7890 0.8308 0.0257 0.0320 -0.0199 398 HIS C CD2 ? ? 1 +11906 C CE1 A HIS C 376 0.3279 0.7966 0.8301 0.0249 0.0341 -0.0206 398 HIS C CE1 ? ? 1 +11907 C CE1 B HIS C 376 0.3248 0.7933 0.8267 0.0248 0.0340 -0.0206 398 HIS C CE1 ? ? 1 +11908 N NE2 A HIS C 376 0.3269 0.7942 0.8326 0.0259 0.0313 -0.0216 398 HIS C NE2 ? ? 1 +11909 N NE2 B HIS C 376 0.3238 0.7910 0.8293 0.0259 0.0313 -0.0217 398 HIS C NE2 ? ? 1 +11910 N N A ALA C 377 0.2613 0.7830 0.8249 0.0151 0.0313 -0.0090 399 ALA C N ? ? 1 +11911 N N B ALA C 377 0.2581 0.7796 0.8216 0.0152 0.0311 -0.0091 399 ALA C N ? ? 1 +11912 C CA A ALA C 377 0.2484 0.7813 0.8254 0.0141 0.0314 -0.0072 399 ALA C CA ? ? 1 +11913 C CA B ALA C 377 0.2455 0.7782 0.8223 0.0142 0.0314 -0.0072 399 ALA C CA ? ? 1 +11914 C C A ALA C 377 0.2441 0.7782 0.8272 0.0152 0.0277 -0.0073 399 ALA C C ? ? 1 +11915 C C B ALA C 377 0.2406 0.7750 0.8241 0.0151 0.0277 -0.0073 399 ALA C C ? ? 1 +11916 O O A ALA C 377 0.2483 0.7754 0.8261 0.0148 0.0234 -0.0081 399 ALA C O ? ? 1 +11917 O O B ALA C 377 0.2446 0.7722 0.8231 0.0146 0.0232 -0.0080 399 ALA C O ? ? 1 +11918 C CB A ALA C 377 0.2407 0.7774 0.8199 0.0103 0.0287 -0.0049 399 ALA C CB ? ? 1 +11919 C CB B ALA C 377 0.2379 0.7745 0.8170 0.0104 0.0288 -0.0050 399 ALA C CB ? ? 1 +11920 N N A PRO C 378 0.2367 0.7795 0.8309 0.0166 0.0294 -0.0067 400 PRO C N ? ? 1 +11921 N N B PRO C 378 0.2333 0.7762 0.8277 0.0166 0.0295 -0.0067 400 PRO C N ? ? 1 +11922 C CA A PRO C 378 0.2329 0.7765 0.8326 0.0178 0.0260 -0.0066 400 PRO C CA ? ? 1 +11923 C CA B PRO C 378 0.2293 0.7733 0.8294 0.0178 0.0261 -0.0066 400 PRO C CA ? ? 1 +11924 C C A PRO C 378 0.2240 0.7701 0.8279 0.0143 0.0204 -0.0047 400 PRO C C ? ? 1 +11925 C C B PRO C 378 0.2203 0.7668 0.8246 0.0143 0.0206 -0.0046 400 PRO C C ? ? 1 +11926 O O A PRO C 378 0.2142 0.7682 0.8279 0.0139 0.0196 -0.0032 400 PRO C O ? ? 1 +11927 O O B PRO C 378 0.2102 0.7650 0.8243 0.0138 0.0199 -0.0031 400 PRO C O ? ? 1 +11928 C CB A PRO C 378 0.2283 0.7809 0.8380 0.0206 0.0298 -0.0067 400 PRO C CB ? ? 1 +11929 C CB B PRO C 378 0.2246 0.7777 0.8347 0.0206 0.0301 -0.0066 400 PRO C CB ? ? 1 +11930 C CG A PRO C 378 0.2241 0.7837 0.8373 0.0188 0.0337 -0.0058 400 PRO C CG ? ? 1 +11931 C CG B PRO C 378 0.2204 0.7804 0.8338 0.0187 0.0338 -0.0057 400 PRO C CG ? ? 1 +11932 C CD A PRO C 378 0.2322 0.7840 0.8339 0.0172 0.0347 -0.0063 400 PRO C CD ? ? 1 +11933 C CD B PRO C 378 0.2290 0.7809 0.8307 0.0172 0.0349 -0.0063 400 PRO C CD ? ? 1 +11934 N N A LEU C 379 0.2278 0.7670 0.8241 0.0118 0.0167 -0.0048 401 LEU C N ? ? 1 +11935 N N B LEU C 379 0.2245 0.7639 0.8212 0.0120 0.0167 -0.0048 401 LEU C N ? ? 1 +11936 C CA A LEU C 379 0.2212 0.7616 0.8204 0.0085 0.0113 -0.0034 401 LEU C CA ? ? 1 +11937 C CA B LEU C 379 0.2178 0.7584 0.8174 0.0086 0.0114 -0.0033 401 LEU C CA ? ? 1 +11938 C C A LEU C 379 0.2289 0.7598 0.8210 0.0082 0.0075 -0.0049 401 LEU C C ? ? 1 +11939 C C B LEU C 379 0.2256 0.7566 0.8178 0.0083 0.0075 -0.0048 401 LEU C C ? ? 1 +11940 O O A LEU C 379 0.2389 0.7619 0.8212 0.0088 0.0078 -0.0067 401 LEU C O ? ? 1 +11941 O O B LEU C 379 0.2354 0.7587 0.8180 0.0087 0.0078 -0.0066 401 LEU C O ? ? 1 +11942 C CB A LEU C 379 0.2175 0.7602 0.8156 0.0052 0.0101 -0.0020 401 LEU C CB ? ? 1 +11943 C CB B LEU C 379 0.2138 0.7570 0.8125 0.0054 0.0103 -0.0020 401 LEU C CB ? ? 1 +11944 C CG A LEU C 379 0.2088 0.7611 0.8148 0.0044 0.0128 -0.0002 401 LEU C CG ? ? 1 +11945 C CG B LEU C 379 0.2051 0.7580 0.8118 0.0045 0.0131 -0.0002 401 LEU C CG ? ? 1 +11946 C CD1 A LEU C 379 0.2136 0.7668 0.8176 0.0063 0.0188 -0.0010 401 LEU C CD1 ? ? 1 +11947 C CD1 B LEU C 379 0.2102 0.7638 0.8145 0.0064 0.0191 -0.0010 401 LEU C CD1 ? ? 1 +11948 C CD2 A LEU C 379 0.2040 0.7581 0.8097 0.0009 0.0100 0.0014 401 LEU C CD2 ? ? 1 +11949 C CD2 B LEU C 379 0.1998 0.7548 0.8067 0.0011 0.0103 0.0015 401 LEU C CD2 ? ? 1 +11950 N N A GLY C 380 0.2251 0.7563 0.8216 0.0072 0.0039 -0.0042 402 GLY C N ? ? 1 +11951 N N B GLY C 380 0.2221 0.7533 0.8187 0.0073 0.0040 -0.0042 402 GLY C N ? ? 1 +11952 C CA A GLY C 380 0.2323 0.7547 0.8230 0.0065 0.0003 -0.0057 402 GLY C CA ? ? 1 +11953 C CA B GLY C 380 0.2295 0.7518 0.8201 0.0065 0.0004 -0.0057 402 GLY C CA ? ? 1 +11954 C C A GLY C 380 0.2270 0.7511 0.8241 0.0051 -0.0028 -0.0044 402 GLY C C ? ? 1 +11955 C C B GLY C 380 0.2244 0.7484 0.8214 0.0051 -0.0028 -0.0044 402 GLY C C ? ? 1 +11956 O O A GLY C 380 0.2188 0.7502 0.8242 0.0058 -0.0018 -0.0026 402 GLY C O ? ? 1 +11957 O O B GLY C 380 0.2162 0.7474 0.8215 0.0058 -0.0019 -0.0027 402 GLY C O ? ? 1 +11958 N N A SER C 381 0.2327 0.7498 0.8256 0.0031 -0.0065 -0.0054 403 SER C N ? ? 1 +11959 N N B SER C 381 0.2303 0.7473 0.8230 0.0031 -0.0066 -0.0055 403 SER C N ? ? 1 +11960 C CA A SER C 381 0.2292 0.7466 0.8269 0.0012 -0.0095 -0.0043 403 SER C CA ? ? 1 +11961 C CA B SER C 381 0.2270 0.7443 0.8246 0.0011 -0.0096 -0.0044 403 SER C CA ? ? 1 +11962 C C A SER C 381 0.2367 0.7479 0.8327 0.0041 -0.0086 -0.0052 403 SER C C ? ? 1 +11963 C C B SER C 381 0.2347 0.7458 0.8306 0.0040 -0.0086 -0.0052 403 SER C C ? ? 1 +11964 O O A SER C 381 0.2456 0.7509 0.8356 0.0071 -0.0064 -0.0071 403 SER C O ? ? 1 +11965 O O B SER C 381 0.2436 0.7489 0.8335 0.0071 -0.0064 -0.0071 403 SER C O ? ? 1 +11966 C CB A SER C 381 0.2305 0.7444 0.8255 -0.0031 -0.0140 -0.0050 403 SER C CB ? ? 1 +11967 C CB B SER C 381 0.2284 0.7420 0.8230 -0.0031 -0.0140 -0.0051 403 SER C CB ? ? 1 +11968 O OG A SER C 381 0.2422 0.7460 0.8282 -0.0028 -0.0149 -0.0077 403 SER C OG ? ? 1 +11969 O OG B SER C 381 0.2402 0.7438 0.8259 -0.0028 -0.0150 -0.0078 403 SER C OG ? ? 1 +11970 N N A LEU C 382 0.2341 0.7461 0.8351 0.0032 -0.0103 -0.0038 404 LEU C N ? ? 1 +11971 N N B LEU C 382 0.2323 0.7443 0.8332 0.0031 -0.0103 -0.0038 404 LEU C N ? ? 1 +11972 C CA A LEU C 382 0.2413 0.7473 0.8409 0.0060 -0.0096 -0.0042 404 LEU C CA ? ? 1 +11973 C CA B LEU C 382 0.2398 0.7459 0.8394 0.0060 -0.0097 -0.0042 404 LEU C CA ? ? 1 +11974 C C A LEU C 382 0.2546 0.7486 0.8448 0.0058 -0.0107 -0.0069 404 LEU C C ? ? 1 +11975 C C B LEU C 382 0.2532 0.7473 0.8435 0.0058 -0.0107 -0.0068 404 LEU C C ? ? 1 +11976 O O A LEU C 382 0.2627 0.7504 0.8491 0.0095 -0.0089 -0.0080 404 LEU C O ? ? 1 +11977 O O B LEU C 382 0.2613 0.7492 0.8479 0.0095 -0.0089 -0.0080 404 LEU C O ? ? 1 +11978 C CB A LEU C 382 0.2359 0.7443 0.8416 0.0042 -0.0117 -0.0020 404 LEU C CB ? ? 1 +11979 C CB B LEU C 382 0.2344 0.7431 0.8402 0.0042 -0.0117 -0.0020 404 LEU C CB ? ? 1 +11980 C CG A LEU C 382 0.2414 0.7451 0.8470 0.0076 -0.0109 -0.0017 404 LEU C CG ? ? 1 +11981 C CG B LEU C 382 0.2403 0.7438 0.8458 0.0073 -0.0111 -0.0017 404 LEU C CG ? ? 1 +11982 C CD1 A LEU C 382 0.2416 0.7490 0.8492 0.0131 -0.0074 -0.0019 404 LEU C CD1 ? ? 1 +11983 C CD1 B LEU C 382 0.2409 0.7477 0.8482 0.0130 -0.0076 -0.0019 404 LEU C CD1 ? ? 1 +11984 C CD2 A LEU C 382 0.2351 0.7421 0.8466 0.0058 -0.0127 0.0008 404 LEU C CD2 ? ? 1 +11985 C CD2 B LEU C 382 0.2343 0.7411 0.8456 0.0055 -0.0129 0.0008 404 LEU C CD2 ? ? 1 +11986 N N A ASN C 383 0.2569 0.7478 0.8435 0.0017 -0.0137 -0.0080 405 ASN C N ? ? 1 +11987 N N B ASN C 383 0.2559 0.7468 0.8425 0.0017 -0.0137 -0.0079 405 ASN C N ? ? 1 +11988 C CA A ASN C 383 0.2693 0.7491 0.8468 0.0010 -0.0151 -0.0108 405 ASN C CA ? ? 1 +11989 C CA B ASN C 383 0.2685 0.7482 0.8460 0.0010 -0.0151 -0.0108 405 ASN C CA ? ? 1 +11990 C C A ASN C 383 0.2753 0.7524 0.8455 0.0030 -0.0134 -0.0129 405 ASN C C ? ? 1 +11991 C C B ASN C 383 0.2748 0.7519 0.8451 0.0030 -0.0134 -0.0129 405 ASN C C ? ? 1 +11992 O O A ASN C 383 0.2847 0.7533 0.8468 0.0020 -0.0150 -0.0154 405 ASN C O ? ? 1 +11993 O O B ASN C 383 0.2840 0.7527 0.8462 0.0020 -0.0150 -0.0154 405 ASN C O ? ? 1 +11994 C CB A ASN C 383 0.2697 0.7476 0.8472 -0.0045 -0.0194 -0.0112 405 ASN C CB ? ? 1 +11995 C CB B ASN C 383 0.2691 0.7467 0.8464 -0.0045 -0.0194 -0.0112 405 ASN C CB ? ? 1 +11996 C CG A ASN C 383 0.2624 0.7476 0.8425 -0.0076 -0.0214 -0.0107 405 ASN C CG ? ? 1 +11997 C CG B ASN C 383 0.2614 0.7465 0.8416 -0.0076 -0.0214 -0.0106 405 ASN C CG ? ? 1 +11998 O OD1 A ASN C 383 0.2520 0.7466 0.8387 -0.0073 -0.0203 -0.0084 405 ASN C OD1 ? ? 1 +11999 O OD1 B ASN C 383 0.2509 0.7454 0.8377 -0.0073 -0.0203 -0.0084 405 ASN C OD1 ? ? 1 +12000 N ND2 A ASN C 383 0.2683 0.7491 0.8433 -0.0105 -0.0245 -0.0129 405 ASN C ND2 ? ? 1 +12001 N ND2 B ASN C 383 0.2670 0.7479 0.8424 -0.0107 -0.0246 -0.0128 405 ASN C ND2 ? ? 1 +12002 N N . SER C 384 0.2700 0.7541 0.8431 0.0058 -0.0099 -0.0119 406 SER C N ? ? 1 +12003 C CA . SER C 384 0.2758 0.7579 0.8425 0.0084 -0.0071 -0.0135 406 SER C CA ? ? 1 +12004 C CB . SER C 384 0.2885 0.7611 0.8479 0.0123 -0.0049 -0.0159 406 SER C CB ? ? 1 +12005 O OG . SER C 384 0.2870 0.7615 0.8514 0.0158 -0.0026 -0.0149 406 SER C OG ? ? 1 +12006 C C . SER C 384 0.2777 0.7582 0.8386 0.0055 -0.0093 -0.0147 406 SER C C ? ? 1 +12007 O O . SER C 384 0.2887 0.7614 0.8402 0.0066 -0.0089 -0.0171 406 SER C O ? ? 1 +12008 N N A VAL C 385 0.2679 0.7558 0.8343 0.0021 -0.0116 -0.0129 407 VAL C N ? ? 1 +12009 N N B VAL C 385 0.2672 0.7550 0.8336 0.0021 -0.0116 -0.0129 407 VAL C N ? ? 1 +12010 C CA A VAL C 385 0.2682 0.7566 0.8304 0.0001 -0.0133 -0.0135 407 VAL C CA ? ? 1 +12011 C CA B VAL C 385 0.2669 0.7553 0.8291 0.0001 -0.0134 -0.0135 407 VAL C CA ? ? 1 +12012 C C A VAL C 385 0.2624 0.7579 0.8270 0.0020 -0.0094 -0.0119 407 VAL C C ? ? 1 +12013 C C B VAL C 385 0.2608 0.7563 0.8255 0.0020 -0.0094 -0.0119 407 VAL C C ? ? 1 +12014 O O A VAL C 385 0.2516 0.7560 0.8250 0.0013 -0.0087 -0.0095 407 VAL C O ? ? 1 +12015 O O B VAL C 385 0.2498 0.7542 0.8234 0.0013 -0.0087 -0.0094 407 VAL C O ? ? 1 +12016 C CB A VAL C 385 0.2618 0.7535 0.8280 -0.0045 -0.0182 -0.0127 407 VAL C CB ? ? 1 +12017 C CB B VAL C 385 0.2602 0.7520 0.8265 -0.0046 -0.0183 -0.0127 407 VAL C CB ? ? 1 +12018 C CG1 A VAL C 385 0.2630 0.7552 0.8243 -0.0059 -0.0202 -0.0134 407 VAL C CG1 ? ? 1 +12019 C CG1 B VAL C 385 0.2615 0.7535 0.8228 -0.0060 -0.0203 -0.0134 407 VAL C CG1 ? ? 1 +12020 C CG2 A VAL C 385 0.2671 0.7523 0.8319 -0.0068 -0.0217 -0.0143 407 VAL C CG2 ? ? 1 +12021 C CG2 B VAL C 385 0.2652 0.7505 0.8303 -0.0069 -0.0217 -0.0142 407 VAL C CG2 ? ? 1 +12022 N N A GLY C 386 0.2702 0.7615 0.8267 0.0043 -0.0066 -0.0134 408 GLY C N ? ? 1 +12023 N N B GLY C 386 0.2683 0.7596 0.8249 0.0042 -0.0067 -0.0133 408 GLY C N ? ? 1 +12024 C CA A GLY C 386 0.2668 0.7637 0.8247 0.0059 -0.0022 -0.0121 408 GLY C CA ? ? 1 +12025 C CA B GLY C 386 0.2649 0.7620 0.8231 0.0059 -0.0022 -0.0121 408 GLY C CA ? ? 1 +12026 C C A GLY C 386 0.2589 0.7620 0.8197 0.0030 -0.0040 -0.0103 408 GLY C C ? ? 1 +12027 C C B GLY C 386 0.2568 0.7602 0.8178 0.0031 -0.0039 -0.0103 408 GLY C C ? ? 1 +12028 O O A GLY C 386 0.2605 0.7609 0.8175 0.0005 -0.0083 -0.0109 408 GLY C O ? ? 1 +12029 O O B GLY C 386 0.2589 0.7594 0.8157 0.0007 -0.0080 -0.0109 408 GLY C O ? ? 1 +12030 N N A GLY C 387 0.2506 0.7621 0.8183 0.0035 -0.0007 -0.0082 409 GLY C N ? ? 1 +12031 N N B GLY C 387 0.2483 0.7602 0.8165 0.0036 -0.0006 -0.0081 409 GLY C N ? ? 1 +12032 C CA A GLY C 387 0.2449 0.7616 0.8140 0.0014 -0.0012 -0.0065 409 GLY C CA ? ? 1 +12033 C CA B GLY C 387 0.2426 0.7597 0.8123 0.0015 -0.0009 -0.0064 409 GLY C CA ? ? 1 +12034 C C A GLY C 387 0.2320 0.7580 0.8125 -0.0007 -0.0028 -0.0040 409 GLY C C ? ? 1 +12035 C C B GLY C 387 0.2295 0.7559 0.8105 -0.0006 -0.0026 -0.0040 409 GLY C C ? ? 1 +12036 O O A GLY C 387 0.2271 0.7560 0.8144 -0.0003 -0.0029 -0.0035 409 GLY C O ? ? 1 +12037 O O B GLY C 387 0.2246 0.7538 0.8124 -0.0001 -0.0027 -0.0034 409 GLY C O ? ? 1 +12038 N N A VAL C 388 0.2275 0.7575 0.8091 -0.0028 -0.0040 -0.0026 410 VAL C N ? ? 1 +12039 N N B VAL C 388 0.2250 0.7553 0.8071 -0.0027 -0.0038 -0.0025 410 VAL C N ? ? 1 +12040 C CA A VAL C 388 0.2159 0.7542 0.8073 -0.0050 -0.0058 -0.0003 410 VAL C CA ? ? 1 +12041 C CA B VAL C 388 0.2135 0.7520 0.8052 -0.0050 -0.0057 -0.0003 410 VAL C CA ? ? 1 +12042 C C A VAL C 388 0.2139 0.7510 0.8079 -0.0070 -0.0107 -0.0006 410 VAL C C ? ? 1 +12043 C C B VAL C 388 0.2112 0.7484 0.8054 -0.0070 -0.0107 -0.0006 410 VAL C C ? ? 1 +12044 O O A VAL C 388 0.2210 0.7508 0.8087 -0.0072 -0.0131 -0.0026 410 VAL C O ? ? 1 +12045 O O B VAL C 388 0.2181 0.7481 0.8059 -0.0072 -0.0132 -0.0026 410 VAL C O ? ? 1 +12046 C CB A VAL C 388 0.2126 0.7543 0.8034 -0.0067 -0.0061 0.0011 410 VAL C CB ? ? 1 +12047 C CB B VAL C 388 0.2101 0.7521 0.8014 -0.0066 -0.0059 0.0012 410 VAL C CB ? ? 1 +12048 C CG1 A VAL C 388 0.2156 0.7580 0.8037 -0.0050 -0.0006 0.0014 410 VAL C CG1 ? ? 1 +12049 C CG1 B VAL C 388 0.2125 0.7557 0.8017 -0.0049 -0.0003 0.0015 410 VAL C CG1 ? ? 1 +12050 C CG2 A VAL C 388 0.2182 0.7545 0.8014 -0.0081 -0.0104 0.0000 410 VAL C CG2 ? ? 1 +12051 C CG2 B VAL C 388 0.2159 0.7524 0.7993 -0.0080 -0.0101 0.0001 410 VAL C CG2 ? ? 1 +12052 N N A ALA C 389 0.2046 0.7486 0.8077 -0.0086 -0.0120 0.0013 411 ALA C N ? ? 1 +12053 N N B ALA C 389 0.2019 0.7460 0.8053 -0.0085 -0.0119 0.0013 411 ALA C N ? ? 1 +12054 C CA A ALA C 389 0.2031 0.7466 0.8099 -0.0105 -0.0156 0.0013 411 ALA C CA ? ? 1 +12055 C CA B ALA C 389 0.2005 0.7442 0.8075 -0.0105 -0.0157 0.0013 411 ALA C CA ? ? 1 +12056 C C A ALA C 389 0.2064 0.7475 0.8100 -0.0133 -0.0203 0.0004 411 ALA C C ? ? 1 +12057 C C B ALA C 389 0.2044 0.7453 0.8077 -0.0132 -0.0203 0.0004 411 ALA C C ? ? 1 +12058 O O A ALA C 389 0.2076 0.7462 0.8120 -0.0150 -0.0234 -0.0004 411 ALA C O ? ? 1 +12059 O O B ALA C 389 0.2062 0.7441 0.8097 -0.0149 -0.0234 -0.0006 411 ALA C O ? ? 1 +12060 C CB A ALA C 389 0.1921 0.7437 0.8089 -0.0113 -0.0154 0.0037 411 ALA C CB ? ? 1 +12061 C CB B ALA C 389 0.1893 0.7412 0.8063 -0.0115 -0.0157 0.0037 411 ALA C CB ? ? 1 +12062 N N A THR C 390 0.2090 0.7506 0.8086 -0.0136 -0.0207 0.0005 412 THR C N ? ? 1 +12063 N N B THR C 390 0.2067 0.7485 0.8064 -0.0136 -0.0207 0.0005 412 THR C N ? ? 1 +12064 C CA A THR C 390 0.2123 0.7525 0.8090 -0.0158 -0.0253 -0.0004 412 THR C CA ? ? 1 +12065 C CA B THR C 390 0.2106 0.7506 0.8069 -0.0157 -0.0252 -0.0004 412 THR C CA ? ? 1 +12066 C C A THR C 390 0.2260 0.7575 0.8120 -0.0149 -0.0266 -0.0031 412 THR C C ? ? 1 +12067 C C B THR C 390 0.2249 0.7562 0.8104 -0.0147 -0.0264 -0.0031 412 THR C C ? ? 1 +12068 O O A THR C 390 0.2298 0.7596 0.8125 -0.0163 -0.0307 -0.0043 412 THR C O ? ? 1 +12069 O O B THR C 390 0.2290 0.7585 0.8110 -0.0161 -0.0305 -0.0043 412 THR C O ? ? 1 +12070 C CB A THR C 390 0.2067 0.7522 0.8049 -0.0164 -0.0255 0.0013 412 THR C CB ? ? 1 +12071 C CB B THR C 390 0.2050 0.7504 0.8028 -0.0163 -0.0254 0.0013 412 THR C CB ? ? 1 +12072 O OG1 A THR C 390 0.2108 0.7546 0.8037 -0.0141 -0.0215 0.0016 412 THR C OG1 ? ? 1 +12073 O OG1 B THR C 390 0.2091 0.7527 0.8016 -0.0140 -0.0213 0.0015 412 THR C OG1 ? ? 1 +12074 C CG2 A THR C 390 0.1950 0.7489 0.8036 -0.0178 -0.0252 0.0038 412 THR C CG2 ? ? 1 +12075 C CG2 B THR C 390 0.1932 0.7470 0.8013 -0.0177 -0.0251 0.0037 412 THR C CG2 ? ? 1 +12076 N N A GLU C 391 0.2342 0.7605 0.8150 -0.0123 -0.0232 -0.0042 413 GLU C N ? ? 1 +12077 N N B GLU C 391 0.2333 0.7594 0.8137 -0.0122 -0.0230 -0.0042 413 GLU C N ? ? 1 +12078 C CA A GLU C 391 0.2473 0.7648 0.8170 -0.0110 -0.0238 -0.0068 413 GLU C CA ? ? 1 +12079 C CA B GLU C 391 0.2467 0.7639 0.8161 -0.0109 -0.0237 -0.0068 413 GLU C CA ? ? 1 +12080 C C A GLU C 391 0.2526 0.7649 0.8207 -0.0127 -0.0279 -0.0091 413 GLU C C ? ? 1 +12081 C C B GLU C 391 0.2517 0.7638 0.8195 -0.0126 -0.0278 -0.0091 413 GLU C C ? ? 1 +12082 O O A GLU C 391 0.2473 0.7615 0.8221 -0.0141 -0.0287 -0.0087 413 GLU C O ? ? 1 +12083 O O B GLU C 391 0.2463 0.7603 0.8208 -0.0139 -0.0285 -0.0087 413 GLU C O ? ? 1 +12084 C CB A GLU C 391 0.2538 0.7676 0.8191 -0.0077 -0.0184 -0.0072 413 GLU C CB ? ? 1 +12085 C CB B GLU C 391 0.2533 0.7668 0.8183 -0.0075 -0.0182 -0.0073 413 GLU C CB ? ? 1 +12086 C CG A GLU C 391 0.2676 0.7720 0.8205 -0.0059 -0.0181 -0.0098 413 GLU C CG ? ? 1 +12087 C CG B GLU C 391 0.2673 0.7715 0.8198 -0.0057 -0.0178 -0.0098 413 GLU C CG ? ? 1 +12088 C CD A GLU C 391 0.2724 0.7752 0.8181 -0.0060 -0.0193 -0.0098 413 GLU C CD ? ? 1 +12089 C CD B GLU C 391 0.2719 0.7748 0.8174 -0.0058 -0.0191 -0.0097 413 GLU C CD ? ? 1 +12090 O OE1 A GLU C 391 0.2723 0.7752 0.8173 -0.0080 -0.0245 -0.0104 413 GLU C OE1 ? ? 1 +12091 O OE1 B GLU C 391 0.2732 0.7753 0.8172 -0.0078 -0.0243 -0.0106 413 GLU C OE1 ? ? 1 +12092 O OE2 A GLU C 391 0.2766 0.7779 0.8172 -0.0039 -0.0150 -0.0093 413 GLU C OE2 ? ? 1 +12093 O OE2 B GLU C 391 0.2750 0.7774 0.8165 -0.0040 -0.0147 -0.0090 413 GLU C OE2 ? ? 1 +12094 N N A ILE C 392 0.2635 0.7688 0.8223 -0.0126 -0.0306 -0.0116 414 ILE C N ? ? 1 +12095 N N B ILE C 392 0.2627 0.7680 0.8214 -0.0126 -0.0306 -0.0116 414 ILE C N ? ? 1 +12096 C CA A ILE C 392 0.2708 0.7704 0.8269 -0.0143 -0.0346 -0.0143 414 ILE C CA ? ? 1 +12097 C CA B ILE C 392 0.2703 0.7699 0.8264 -0.0143 -0.0346 -0.0143 414 ILE C CA ? ? 1 +12098 C C A ILE C 392 0.2805 0.7721 0.8308 -0.0121 -0.0319 -0.0160 414 ILE C C ? ? 1 +12099 C C B ILE C 392 0.2801 0.7717 0.8304 -0.0121 -0.0319 -0.0160 414 ILE C C ? ? 1 +12100 O O A ILE C 392 0.2846 0.7741 0.8304 -0.0089 -0.0274 -0.0157 414 ILE C O ? ? 1 +12101 O O B ILE C 392 0.2842 0.7738 0.8302 -0.0089 -0.0274 -0.0157 414 ILE C O ? ? 1 +12102 C CB A ILE C 392 0.2777 0.7740 0.8268 -0.0154 -0.0396 -0.0165 414 ILE C CB ? ? 1 +12103 C CB B ILE C 392 0.2770 0.7733 0.8263 -0.0155 -0.0397 -0.0165 414 ILE C CB ? ? 1 +12104 C CG1 A ILE C 392 0.2876 0.7777 0.8251 -0.0122 -0.0375 -0.0174 414 ILE C CG1 ? ? 1 +12105 C CG1 B ILE C 392 0.2872 0.7772 0.8246 -0.0123 -0.0378 -0.0175 414 ILE C CG1 ? ? 1 +12106 C CG2 A ILE C 392 0.2686 0.7729 0.8243 -0.0177 -0.0429 -0.0150 414 ILE C CG2 ? ? 1 +12107 C CG2 B ILE C 392 0.2676 0.7720 0.8237 -0.0178 -0.0430 -0.0151 414 ILE C CG2 ? ? 1 +12108 C CD1 A ILE C 392 0.2969 0.7817 0.8256 -0.0126 -0.0423 -0.0200 414 ILE C CD1 ? ? 1 +12109 C CD1 B ILE C 392 0.2963 0.7811 0.8251 -0.0127 -0.0426 -0.0201 414 ILE C CD1 ? ? 1 +12110 N N . ASN C 393 0.2854 0.7723 0.8357 -0.0138 -0.0344 -0.0179 415 ASN C N ? ? 1 +12111 C CA . ASN C 393 0.2968 0.7747 0.8405 -0.0119 -0.0327 -0.0201 415 ASN C CA ? ? 1 +12112 C CB . ASN C 393 0.3011 0.7747 0.8463 -0.0148 -0.0361 -0.0219 415 ASN C CB ? ? 1 +12113 C CG . ASN C 393 0.2944 0.7718 0.8489 -0.0156 -0.0345 -0.0197 415 ASN C CG ? ? 1 +12114 O OD1 . ASN C 393 0.2975 0.7710 0.8510 -0.0133 -0.0313 -0.0197 415 ASN C OD1 ? ? 1 +12115 N ND2 . ASN C 393 0.2856 0.7703 0.8489 -0.0189 -0.0368 -0.0181 415 ASN C ND2 ? ? 1 +12116 C C . ASN C 393 0.3102 0.7803 0.8414 -0.0097 -0.0325 -0.0225 415 ASN C C ? ? 1 +12117 O O . ASN C 393 0.3149 0.7844 0.8417 -0.0107 -0.0361 -0.0235 415 ASN C O ? ? 1 +12118 N N . SER C 394 0.3185 0.7825 0.8439 -0.0063 -0.0284 -0.0234 416 SER C N ? ? 1 +12119 C CA . SER C 394 0.3314 0.7869 0.8443 -0.0037 -0.0274 -0.0257 416 SER C CA ? ? 1 +12120 C CB . SER C 394 0.3324 0.7899 0.8406 -0.0033 -0.0277 -0.0251 416 SER C CB ? ? 1 +12121 O OG . SER C 394 0.3373 0.7933 0.8425 -0.0059 -0.0339 -0.0268 416 SER C OG ? ? 1 +12122 C C . SER C 394 0.3353 0.7878 0.8458 0.0003 -0.0212 -0.0255 416 SER C C ? ? 1 +12123 O O . SER C 394 0.3483 0.7918 0.8511 0.0021 -0.0205 -0.0280 416 SER C O ? ? 1 +12124 N N . VAL C 395 0.3245 0.7851 0.8423 0.0017 -0.0169 -0.0227 417 VAL C N ? ? 1 +12125 C CA . VAL C 395 0.3261 0.7857 0.8427 0.0057 -0.0108 -0.0225 417 VAL C CA ? ? 1 +12126 C CB . VAL C 395 0.3213 0.7875 0.8396 0.0071 -0.0065 -0.0204 417 VAL C CB ? ? 1 +12127 C CG1 . VAL C 395 0.3252 0.7907 0.8423 0.0112 0.0001 -0.0206 417 VAL C CG1 ? ? 1 +12128 C CG2 . VAL C 395 0.3271 0.7901 0.8364 0.0064 -0.0082 -0.0210 417 VAL C CG2 ? ? 1 +12129 C C . VAL C 395 0.3188 0.7810 0.8440 0.0064 -0.0095 -0.0216 417 VAL C C ? ? 1 +12130 O O . VAL C 395 0.3065 0.7772 0.8421 0.0050 -0.0098 -0.0191 417 VAL C O ? ? 1 +12131 N N . ASN C 396 0.3274 0.7814 0.8472 0.0088 -0.0082 -0.0237 418 ASN C N ? ? 1 +12132 C CA . ASN C 396 0.3242 0.7788 0.8501 0.0104 -0.0065 -0.0231 418 ASN C CA ? ? 1 +12133 C CB . ASN C 396 0.3374 0.7801 0.8551 0.0113 -0.0079 -0.0261 418 ASN C CB ? ? 1 +12134 C CG . ASN C 396 0.3382 0.7794 0.8609 0.0120 -0.0078 -0.0256 418 ASN C CG ? ? 1 +12135 O OD1 . ASN C 396 0.3498 0.7812 0.8663 0.0133 -0.0081 -0.0278 418 ASN C OD1 ? ? 1 +12136 N ND2 . ASN C 396 0.3275 0.7776 0.8610 0.0114 -0.0075 -0.0227 418 ASN C ND2 ? ? 1 +12137 C C . ASN C 396 0.3197 0.7797 0.8491 0.0146 -0.0004 -0.0219 418 ASN C C ? ? 1 +12138 O O . ASN C 396 0.3289 0.7834 0.8514 0.0181 0.0032 -0.0236 418 ASN C O ? ? 1 +12139 N N A PHE C 397 0.3063 0.7771 0.8465 0.0140 0.0008 -0.0191 419 PHE C N ? ? 1 +12140 N N B PHE C 397 0.3058 0.7766 0.8460 0.0140 0.0008 -0.0191 419 PHE C N ? ? 1 +12141 C CA A PHE C 397 0.3021 0.7796 0.8470 0.0173 0.0063 -0.0180 419 PHE C CA ? ? 1 +12142 C CA B PHE C 397 0.3013 0.7787 0.8461 0.0173 0.0063 -0.0180 419 PHE C CA ? ? 1 +12143 C C A PHE C 397 0.2879 0.7763 0.8456 0.0167 0.0065 -0.0152 419 PHE C C ? ? 1 +12144 C C B PHE C 397 0.2866 0.7749 0.8442 0.0168 0.0065 -0.0152 419 PHE C C ? ? 1 +12145 O O A PHE C 397 0.2788 0.7728 0.8416 0.0132 0.0037 -0.0133 419 PHE C O ? ? 1 +12146 O O B PHE C 397 0.2774 0.7713 0.8401 0.0133 0.0037 -0.0133 419 PHE C O ? ? 1 +12147 C CB A PHE C 397 0.3036 0.7829 0.8440 0.0172 0.0089 -0.0179 419 PHE C CB ? ? 1 +12148 C CB B PHE C 397 0.3026 0.7819 0.8430 0.0172 0.0089 -0.0179 419 PHE C CB ? ? 1 +12149 C CG A PHE C 397 0.2995 0.7864 0.8452 0.0199 0.0149 -0.0168 419 PHE C CG ? ? 1 +12150 C CG B PHE C 397 0.2985 0.7854 0.8442 0.0199 0.0149 -0.0168 419 PHE C CG ? ? 1 +12151 C CD1 A PHE C 397 0.3069 0.7912 0.8502 0.0243 0.0197 -0.0184 419 PHE C CD1 ? ? 1 +12152 C CD1 B PHE C 397 0.3058 0.7901 0.8492 0.0243 0.0197 -0.0184 419 PHE C CD1 ? ? 1 +12153 C CD2 A PHE C 397 0.2891 0.7857 0.8423 0.0180 0.0159 -0.0144 419 PHE C CD2 ? ? 1 +12154 C CD2 B PHE C 397 0.2880 0.7847 0.8413 0.0180 0.0159 -0.0144 419 PHE C CD2 ? ? 1 +12155 C CE1 A PHE C 397 0.3031 0.7952 0.8522 0.0265 0.0253 -0.0176 419 PHE C CE1 ? ? 1 +12156 C CE1 B PHE C 397 0.3020 0.7942 0.8513 0.0265 0.0253 -0.0176 419 PHE C CE1 ? ? 1 +12157 C CE2 A PHE C 397 0.2855 0.7894 0.8441 0.0201 0.0214 -0.0137 419 PHE C CE2 ? ? 1 +12158 C CE2 B PHE C 397 0.2844 0.7884 0.8431 0.0201 0.0215 -0.0137 419 PHE C CE2 ? ? 1 +12159 C CZ A PHE C 397 0.2923 0.7942 0.8491 0.0242 0.0261 -0.0153 419 PHE C CZ ? ? 1 +12160 C CZ B PHE C 397 0.2911 0.7930 0.8481 0.0243 0.0261 -0.0153 419 PHE C CZ ? ? 1 +12161 N N A VAL C 398 0.2862 0.7771 0.8487 0.0204 0.0097 -0.0150 420 VAL C N ? ? 1 +12162 N N B VAL C 398 0.2845 0.7754 0.8469 0.0205 0.0098 -0.0151 420 VAL C N ? ? 1 +12163 C CA A VAL C 398 0.2741 0.7761 0.8481 0.0211 0.0114 -0.0128 420 VAL C CA ? ? 1 +12164 C CA B VAL C 398 0.2719 0.7739 0.8457 0.0212 0.0116 -0.0128 420 VAL C CA ? ? 1 +12165 C C A VAL C 398 0.2766 0.7814 0.8518 0.0258 0.0172 -0.0137 420 VAL C C ? ? 1 +12166 C C B VAL C 398 0.2741 0.7787 0.8491 0.0259 0.0173 -0.0137 420 VAL C C ? ? 1 +12167 O O A VAL C 398 0.2858 0.7842 0.8565 0.0294 0.0188 -0.0155 420 VAL C O ? ? 1 +12168 O O B VAL C 398 0.2834 0.7816 0.8538 0.0294 0.0189 -0.0156 420 VAL C O ? ? 1 +12169 C CB A VAL C 398 0.2690 0.7725 0.8496 0.0208 0.0085 -0.0115 420 VAL C CB ? ? 1 +12170 C CB B VAL C 398 0.2666 0.7701 0.8471 0.0209 0.0086 -0.0115 420 VAL C CB ? ? 1 +12171 C CG1 A VAL C 398 0.2609 0.7743 0.8519 0.0235 0.0111 -0.0099 420 VAL C CG1 ? ? 1 +12172 C CG1 B VAL C 398 0.2581 0.7718 0.8492 0.0233 0.0111 -0.0099 420 VAL C CG1 ? ? 1 +12173 C CG2 A VAL C 398 0.2626 0.7672 0.8453 0.0158 0.0036 -0.0100 420 VAL C CG2 ? ? 1 +12174 C CG2 B VAL C 398 0.2604 0.7648 0.8427 0.0159 0.0036 -0.0101 420 VAL C CG2 ? ? 1 +12175 N N A SER C 399 0.2688 0.7831 0.8501 0.0256 0.0204 -0.0125 421 SER C N ? ? 1 +12176 N N B SER C 399 0.2659 0.7801 0.8471 0.0257 0.0206 -0.0125 421 SER C N ? ? 1 +12177 C CA A SER C 399 0.2705 0.7888 0.8541 0.0295 0.0263 -0.0134 421 SER C CA ? ? 1 +12178 C CA B SER C 399 0.2673 0.7855 0.8509 0.0297 0.0264 -0.0134 421 SER C CA ? ? 1 +12179 C C A SER C 399 0.2694 0.7896 0.8589 0.0338 0.0270 -0.0138 421 SER C C ? ? 1 +12180 C C B SER C 399 0.2658 0.7859 0.8552 0.0339 0.0271 -0.0139 421 SER C C ? ? 1 +12181 O O A SER C 399 0.2616 0.7857 0.8581 0.0332 0.0240 -0.0123 421 SER C O ? ? 1 +12182 O O B SER C 399 0.2582 0.7819 0.8544 0.0333 0.0240 -0.0123 421 SER C O ? ? 1 +12183 C CB A SER C 399 0.2616 0.7908 0.8527 0.0279 0.0290 -0.0118 421 SER C CB ? ? 1 +12184 C CB B SER C 399 0.2583 0.7875 0.8495 0.0280 0.0292 -0.0118 421 SER C CB ? ? 1 +12185 O OG A SER C 399 0.2644 0.7981 0.8583 0.0312 0.0350 -0.0128 421 SER C OG ? ? 1 +12186 O OG B SER C 399 0.2606 0.7949 0.8554 0.0315 0.0350 -0.0128 421 SER C OG ? ? 1 +12187 N N A PRO C 400 0.2775 0.7945 0.8637 0.0384 0.0311 -0.0159 422 PRO C N ? ? 1 +12188 N N B PRO C 400 0.2737 0.7907 0.8600 0.0385 0.0312 -0.0160 422 PRO C N ? ? 1 +12189 C CA A PRO C 400 0.2769 0.7972 0.8696 0.0432 0.0325 -0.0164 422 PRO C CA ? ? 1 +12190 C CA B PRO C 400 0.2730 0.7935 0.8658 0.0433 0.0326 -0.0165 422 PRO C CA ? ? 1 +12191 C C A PRO C 400 0.2641 0.7980 0.8701 0.0433 0.0333 -0.0147 422 PRO C C ? ? 1 +12192 C C B PRO C 400 0.2599 0.7940 0.8661 0.0434 0.0334 -0.0147 422 PRO C C ? ? 1 +12193 O O A PRO C 400 0.2611 0.7980 0.8734 0.0458 0.0316 -0.0141 422 PRO C O ? ? 1 +12194 O O B PRO C 400 0.2571 0.7942 0.8695 0.0459 0.0317 -0.0142 422 PRO C O ? ? 1 +12195 C CB A PRO C 400 0.2876 0.8045 0.8751 0.0475 0.0379 -0.0190 422 PRO C CB ? ? 1 +12196 C CB B PRO C 400 0.2835 0.8007 0.8712 0.0476 0.0381 -0.0190 422 PRO C CB ? ? 1 +12197 C CG A PRO C 400 0.2967 0.8033 0.8715 0.0452 0.0377 -0.0202 422 PRO C CG ? ? 1 +12198 C CG B PRO C 400 0.2928 0.7995 0.8677 0.0453 0.0378 -0.0202 422 PRO C CG ? ? 1 +12199 C CD A PRO C 400 0.2885 0.7984 0.8644 0.0395 0.0346 -0.0181 422 PRO C CD ? ? 1 +12200 C CD B PRO C 400 0.2847 0.7946 0.8606 0.0397 0.0347 -0.0181 422 PRO C CD ? ? 1 +12201 N N A ARG C 401 0.2571 0.7989 0.8671 0.0407 0.0357 -0.0138 423 ARG C N ? ? 1 +12202 N N B ARG C 401 0.2528 0.7948 0.8630 0.0407 0.0358 -0.0138 423 ARG C N ? ? 1 +12203 C CA A ARG C 401 0.2452 0.8001 0.8678 0.0403 0.0365 -0.0124 423 ARG C CA ? ? 1 +12204 C CA B ARG C 401 0.2408 0.7958 0.8636 0.0403 0.0364 -0.0123 423 ARG C CA ? ? 1 +12205 C C A ARG C 401 0.2363 0.7932 0.8637 0.0378 0.0309 -0.0101 423 ARG C C ? ? 1 +12206 C C B ARG C 401 0.2318 0.7890 0.8594 0.0377 0.0308 -0.0100 423 ARG C C ? ? 1 +12207 O O A ARG C 401 0.2301 0.7945 0.8667 0.0397 0.0300 -0.0094 423 ARG C O ? ? 1 +12208 O O B ARG C 401 0.2255 0.7903 0.8624 0.0394 0.0300 -0.0093 423 ARG C O ? ? 1 +12209 C CB A ARG C 401 0.2410 0.8022 0.8655 0.0372 0.0400 -0.0118 423 ARG C CB ? ? 1 +12210 C CB B ARG C 401 0.2366 0.7979 0.8612 0.0372 0.0400 -0.0118 423 ARG C CB ? ? 1 +12211 C CG A ARG C 401 0.2497 0.8094 0.8698 0.0396 0.0463 -0.0140 423 ARG C CG ? ? 1 +12212 C CG B ARG C 401 0.2453 0.8052 0.8656 0.0396 0.0463 -0.0140 423 ARG C CG ? ? 1 +12213 C CD A ARG C 401 0.2453 0.8130 0.8696 0.0369 0.0506 -0.0134 423 ARG C CD ? ? 1 +12214 C CD B ARG C 401 0.2409 0.8087 0.8653 0.0370 0.0506 -0.0134 423 ARG C CD ? ? 1 +12215 N NE A ARG C 401 0.2544 0.8201 0.8739 0.0391 0.0571 -0.0154 423 ARG C NE ? ? 1 +12216 N NE B ARG C 401 0.2500 0.8158 0.8697 0.0391 0.0571 -0.0154 423 ARG C NE ? ? 1 +12217 C CZ A ARG C 401 0.2543 0.8282 0.8815 0.0420 0.0624 -0.0168 423 ARG C CZ ? ? 1 +12218 C CZ B ARG C 401 0.2499 0.8240 0.8773 0.0420 0.0624 -0.0168 423 ARG C CZ ? ? 1 +12219 N NH1 A ARG C 401 0.2462 0.8304 0.8859 0.0438 0.0615 -0.0166 423 ARG C NH1 ? ? 1 +12220 N NH1 B ARG C 401 0.2419 0.8263 0.8819 0.0439 0.0616 -0.0166 423 ARG C NH1 ? ? 1 +12221 N NH2 A ARG C 401 0.2627 0.8346 0.8850 0.0432 0.0686 -0.0184 423 ARG C NH2 ? ? 1 +12222 N NH2 B ARG C 401 0.2584 0.8304 0.8808 0.0432 0.0686 -0.0184 423 ARG C NH2 ? ? 1 +12223 N N A SER C 402 0.2359 0.7863 0.8571 0.0337 0.0270 -0.0091 424 SER C N ? ? 1 +12224 N N B SER C 402 0.2316 0.7822 0.8529 0.0336 0.0269 -0.0091 424 SER C N ? ? 1 +12225 C CA A SER C 402 0.2280 0.7796 0.8529 0.0311 0.0219 -0.0070 424 SER C CA ? ? 1 +12226 C CA B SER C 402 0.2241 0.7756 0.8489 0.0310 0.0218 -0.0070 424 SER C CA ? ? 1 +12227 C C A SER C 402 0.2315 0.7782 0.8562 0.0341 0.0193 -0.0072 424 SER C C ? ? 1 +12228 C C B SER C 402 0.2276 0.7742 0.8523 0.0340 0.0193 -0.0072 424 SER C C ? ? 1 +12229 O O A SER C 402 0.2246 0.7764 0.8565 0.0344 0.0171 -0.0057 424 SER C O ? ? 1 +12230 O O B SER C 402 0.2209 0.7726 0.8527 0.0344 0.0171 -0.0057 424 SER C O ? ? 1 +12231 C CB A SER C 402 0.2282 0.7740 0.8464 0.0262 0.0186 -0.0063 424 SER C CB ? ? 1 +12232 C CB B SER C 402 0.2241 0.7698 0.8423 0.0262 0.0185 -0.0063 424 SER C CB ? ? 1 +12233 O OG A SER C 402 0.2218 0.7740 0.8426 0.0231 0.0198 -0.0052 424 SER C OG ? ? 1 +12234 O OG B SER C 402 0.2172 0.7696 0.8384 0.0228 0.0194 -0.0051 424 SER C OG ? ? 1 +12235 N N A TRP C 403 0.2427 0.7790 0.8588 0.0363 0.0197 -0.0091 425 TRP C N ? ? 1 +12236 N N B TRP C 403 0.2393 0.7754 0.8552 0.0363 0.0197 -0.0091 425 TRP C N ? ? 1 +12237 C CA A TRP C 403 0.2485 0.7786 0.8631 0.0396 0.0178 -0.0095 425 TRP C CA ? ? 1 +12238 C CA B TRP C 403 0.2453 0.7752 0.8597 0.0396 0.0178 -0.0095 425 TRP C CA ? ? 1 +12239 C C A TRP C 403 0.2454 0.7835 0.8687 0.0446 0.0197 -0.0094 425 TRP C C ? ? 1 +12240 C C B TRP C 403 0.2425 0.7802 0.8655 0.0446 0.0197 -0.0095 425 TRP C C ? ? 1 +12241 O O A TRP C 403 0.2428 0.7820 0.8703 0.0458 0.0171 -0.0082 425 TRP C O ? ? 1 +12242 O O B TRP C 403 0.2409 0.7790 0.8675 0.0459 0.0170 -0.0083 425 TRP C O ? ? 1 +12243 C CB A TRP C 403 0.2623 0.7800 0.8660 0.0417 0.0186 -0.0119 425 TRP C CB ? ? 1 +12244 C CB B TRP C 403 0.2592 0.7766 0.8625 0.0416 0.0187 -0.0119 425 TRP C CB ? ? 1 +12245 C CG A TRP C 403 0.2669 0.7751 0.8617 0.0372 0.0154 -0.0121 425 TRP C CG ? ? 1 +12246 C CG B TRP C 403 0.2639 0.7718 0.8584 0.0371 0.0154 -0.0122 425 TRP C CG ? ? 1 +12247 C CD1 A TRP C 403 0.2747 0.7763 0.8605 0.0361 0.0165 -0.0139 425 TRP C CD1 ? ? 1 +12248 C CD1 B TRP C 403 0.2717 0.7729 0.8571 0.0359 0.0164 -0.0140 425 TRP C CD1 ? ? 1 +12249 C CD2 A TRP C 403 0.2639 0.7686 0.8583 0.0332 0.0106 -0.0107 425 TRP C CD2 ? ? 1 +12250 C CD2 B TRP C 403 0.2611 0.7655 0.8552 0.0333 0.0106 -0.0108 425 TRP C CD2 ? ? 1 +12251 N NE1 A TRP C 403 0.2766 0.7711 0.8568 0.0318 0.0123 -0.0139 425 TRP C NE1 ? ? 1 +12252 N NE1 B TRP C 403 0.2737 0.7679 0.8535 0.0317 0.0122 -0.0139 425 TRP C NE1 ? ? 1 +12253 C CE2 A TRP C 403 0.2700 0.7665 0.8557 0.0298 0.0088 -0.0119 425 TRP C CE2 ? ? 1 +12254 C CE2 B TRP C 403 0.2672 0.7634 0.8525 0.0298 0.0088 -0.0120 425 TRP C CE2 ? ? 1 +12255 C CE3 A TRP C 403 0.2574 0.7651 0.8579 0.0323 0.0077 -0.0086 425 TRP C CE3 ? ? 1 +12256 C CE3 B TRP C 403 0.2546 0.7619 0.8548 0.0324 0.0077 -0.0087 425 TRP C CE3 ? ? 1 +12257 C CZ2 A TRP C 403 0.2691 0.7610 0.8527 0.0254 0.0043 -0.0112 425 TRP C CZ2 ? ? 1 +12258 C CZ2 B TRP C 403 0.2662 0.7577 0.8495 0.0254 0.0043 -0.0113 425 TRP C CZ2 ? ? 1 +12259 C CZ3 A TRP C 403 0.2570 0.7595 0.8550 0.0278 0.0036 -0.0077 425 TRP C CZ3 ? ? 1 +12260 C CZ3 B TRP C 403 0.2542 0.7563 0.8519 0.0279 0.0036 -0.0078 425 TRP C CZ3 ? ? 1 +12261 C CH2 A TRP C 403 0.2625 0.7576 0.8526 0.0243 0.0020 -0.0091 425 TRP C CH2 ? ? 1 +12262 C CH2 B TRP C 403 0.2596 0.7542 0.8494 0.0244 0.0020 -0.0092 425 TRP C CH2 ? ? 1 +12263 N N A LEU C 404 0.2462 0.7901 0.8724 0.0474 0.0244 -0.0109 426 LEU C N ? ? 1 +12264 N N B LEU C 404 0.2431 0.7868 0.8691 0.0474 0.0244 -0.0109 426 LEU C N ? ? 1 +12265 C CA A LEU C 404 0.2447 0.7962 0.8791 0.0527 0.0265 -0.0115 426 LEU C CA ? ? 1 +12266 C CA B LEU C 404 0.2416 0.7931 0.8759 0.0526 0.0265 -0.0115 426 LEU C CA ? ? 1 +12267 C C A LEU C 404 0.2321 0.7958 0.8779 0.0513 0.0249 -0.0095 426 LEU C C ? ? 1 +12268 C C B LEU C 404 0.2293 0.7930 0.8751 0.0512 0.0249 -0.0095 426 LEU C C ? ? 1 +12269 O O A LEU C 404 0.2302 0.7975 0.8817 0.0547 0.0234 -0.0091 426 LEU C O ? ? 1 +12270 O O B LEU C 404 0.2274 0.7946 0.8789 0.0547 0.0233 -0.0091 426 LEU C O ? ? 1 +12271 C CB A LEU C 404 0.2493 0.8040 0.8838 0.0556 0.0324 -0.0138 426 LEU C CB ? ? 1 +12272 C CB B LEU C 404 0.2461 0.8007 0.8805 0.0556 0.0323 -0.0138 426 LEU C CB ? ? 1 +12273 C CG A LEU C 404 0.2630 0.8061 0.8872 0.0592 0.0341 -0.0162 426 LEU C CG ? ? 1 +12274 C CG B LEU C 404 0.2596 0.8026 0.8837 0.0590 0.0340 -0.0161 426 LEU C CG ? ? 1 +12275 C CD1 A LEU C 404 0.2678 0.8136 0.8912 0.0612 0.0401 -0.0183 426 LEU C CD1 ? ? 1 +12276 C CD1 B LEU C 404 0.2644 0.8099 0.8874 0.0608 0.0400 -0.0182 426 LEU C CD1 ? ? 1 +12277 C CD2 A LEU C 404 0.2683 0.8078 0.8932 0.0648 0.0327 -0.0168 426 LEU C CD2 ? ? 1 +12278 C CD2 B LEU C 404 0.2653 0.8047 0.8900 0.0647 0.0328 -0.0168 426 LEU C CD2 ? ? 1 +12279 N N A ALA C 405 0.2241 0.7936 0.8726 0.0462 0.0251 -0.0083 427 ALA C N ? ? 1 +12280 N N B ALA C 405 0.2216 0.7912 0.8702 0.0463 0.0252 -0.0083 427 ALA C N ? ? 1 +12281 C CA A ALA C 405 0.2126 0.7936 0.8716 0.0446 0.0239 -0.0065 427 ALA C CA ? ? 1 +12282 C CA B ALA C 405 0.2104 0.7915 0.8695 0.0446 0.0239 -0.0066 427 ALA C CA ? ? 1 +12283 C C A ALA C 405 0.2085 0.7873 0.8683 0.0430 0.0185 -0.0044 427 ALA C C ? ? 1 +12284 C C B ALA C 405 0.2066 0.7855 0.8665 0.0430 0.0186 -0.0044 427 ALA C C ? ? 1 +12285 O O A ALA C 405 0.2031 0.7888 0.8707 0.0449 0.0170 -0.0035 427 ALA C O ? ? 1 +12286 O O B ALA C 405 0.2013 0.7871 0.8689 0.0450 0.0171 -0.0036 427 ALA C O ? ? 1 +12287 C CB A ALA C 405 0.2066 0.7929 0.8671 0.0396 0.0256 -0.0059 427 ALA C CB ? ? 1 +12288 C CB B ALA C 405 0.2044 0.7908 0.8650 0.0396 0.0257 -0.0059 427 ALA C CB ? ? 1 +12289 N N A THR C 406 0.2112 0.7805 0.8630 0.0395 0.0157 -0.0035 428 THR C N ? ? 1 +12290 N N B THR C 406 0.2096 0.7791 0.8615 0.0395 0.0158 -0.0036 428 THR C N ? ? 1 +12291 C CA A THR C 406 0.2079 0.7746 0.8599 0.0374 0.0111 -0.0015 428 THR C CA ? ? 1 +12292 C CA B THR C 406 0.2068 0.7736 0.8588 0.0374 0.0112 -0.0015 428 THR C CA ? ? 1 +12293 C C A THR C 406 0.2142 0.7761 0.8654 0.0422 0.0096 -0.0016 428 THR C C ? ? 1 +12294 C C B THR C 406 0.2130 0.7751 0.8643 0.0422 0.0096 -0.0016 428 THR C C ? ? 1 +12295 O O A THR C 406 0.2097 0.7752 0.8659 0.0430 0.0071 -0.0001 428 THR C O ? ? 1 +12296 O O B THR C 406 0.2084 0.7742 0.8648 0.0429 0.0072 -0.0001 428 THR C O ? ? 1 +12297 C CB A THR C 406 0.2101 0.7680 0.8540 0.0326 0.0087 -0.0010 428 THR C CB ? ? 1 +12298 C CB B THR C 406 0.2092 0.7671 0.8530 0.0326 0.0088 -0.0010 428 THR C CB ? ? 1 +12299 O OG1 A THR C 406 0.2212 0.7682 0.8559 0.0342 0.0095 -0.0029 428 THR C OG1 ? ? 1 +12300 O OG1 B THR C 406 0.2209 0.7681 0.8556 0.0343 0.0097 -0.0030 428 THR C OG1 ? ? 1 +12301 C CG2 A THR C 406 0.2045 0.7668 0.8488 0.0281 0.0096 -0.0006 428 THR C CG2 ? ? 1 +12302 C CG2 B THR C 406 0.2032 0.7656 0.8477 0.0280 0.0095 -0.0005 428 THR C CG2 ? ? 1 +12303 N N A SER C 407 0.2256 0.7788 0.8698 0.0455 0.0111 -0.0036 429 SER C N ? ? 1 +12304 N N B SER C 407 0.2247 0.7778 0.8689 0.0454 0.0110 -0.0035 429 SER C N ? ? 1 +12305 C CA A SER C 407 0.2337 0.7811 0.8760 0.0506 0.0100 -0.0039 429 SER C CA ? ? 1 +12306 C CA B SER C 407 0.2330 0.7804 0.8754 0.0505 0.0100 -0.0039 429 SER C CA ? ? 1 +12307 C C A SER C 407 0.2298 0.7875 0.8817 0.0553 0.0106 -0.0038 429 SER C C ? ? 1 +12308 C C B SER C 407 0.2296 0.7873 0.8815 0.0553 0.0106 -0.0038 429 SER C C ? ? 1 +12309 O O A SER C 407 0.2302 0.7870 0.8838 0.0574 0.0079 -0.0025 429 SER C O ? ? 1 +12310 O O B SER C 407 0.2303 0.7871 0.8839 0.0575 0.0079 -0.0025 429 SER C O ? ? 1 +12311 C CB A SER C 407 0.2461 0.7840 0.8802 0.0539 0.0124 -0.0064 429 SER C CB ? ? 1 +12312 C CB B SER C 407 0.2454 0.7834 0.8796 0.0539 0.0124 -0.0064 429 SER C CB ? ? 1 +12313 O OG A SER C 407 0.2467 0.7917 0.8848 0.0573 0.0168 -0.0083 429 SER C OG ? ? 1 +12314 O OG B SER C 407 0.2459 0.7910 0.8840 0.0572 0.0168 -0.0083 429 SER C OG ? ? 1 +12315 N N . HIS C 408 0.2266 0.7940 0.8847 0.0569 0.0143 -0.0052 430 HIS C N ? ? 1 +12316 C CA . HIS C 408 0.2244 0.8023 0.8922 0.0617 0.0151 -0.0057 430 HIS C CA ? ? 1 +12317 C CB . HIS C 408 0.2264 0.8108 0.8978 0.0646 0.0202 -0.0083 430 HIS C CB ? ? 1 +12318 C CG . HIS C 408 0.2394 0.8141 0.9033 0.0695 0.0219 -0.0103 430 HIS C CG ? ? 1 +12319 N ND1 . HIS C 408 0.2475 0.8116 0.9011 0.0675 0.0234 -0.0112 430 HIS C ND1 ? ? 1 +12320 C CE1 . HIS C 408 0.2582 0.8148 0.9067 0.0729 0.0244 -0.0130 430 HIS C CE1 ? ? 1 +12321 N NE2 . HIS C 408 0.2583 0.8199 0.9132 0.0784 0.0235 -0.0131 430 HIS C NE2 ? ? 1 +12322 C CD2 . HIS C 408 0.2465 0.8194 0.9111 0.0762 0.0217 -0.0114 430 HIS C CD2 ? ? 1 +12323 C C . HIS C 408 0.2133 0.8016 0.8900 0.0592 0.0126 -0.0037 430 HIS C C ? ? 1 +12324 O O . HIS C 408 0.2114 0.8064 0.8951 0.0633 0.0116 -0.0037 430 HIS C O ? ? 1 +12325 N N A PHE C 409 0.2064 0.7956 0.8827 0.0529 0.0115 -0.0021 431 PHE C N ? ? 1 +12326 N N B PHE C 409 0.2062 0.7954 0.8824 0.0529 0.0115 -0.0021 431 PHE C N ? ? 1 +12327 C CA A PHE C 409 0.1966 0.7941 0.8801 0.0505 0.0088 -0.0001 431 PHE C CA ? ? 1 +12328 C CA B PHE C 409 0.1965 0.7939 0.8799 0.0504 0.0089 -0.0001 431 PHE C CA ? ? 1 +12329 C C A PHE C 409 0.1986 0.7896 0.8790 0.0512 0.0045 0.0018 431 PHE C C ? ? 1 +12330 C C B PHE C 409 0.1986 0.7895 0.8789 0.0512 0.0045 0.0018 431 PHE C C ? ? 1 +12331 O O A PHE C 409 0.1943 0.7913 0.8807 0.0529 0.0023 0.0028 431 PHE C O ? ? 1 +12332 O O B PHE C 409 0.1942 0.7912 0.8806 0.0529 0.0023 0.0028 431 PHE C O ? ? 1 +12333 C CB A PHE C 409 0.1892 0.7897 0.8732 0.0438 0.0090 0.0011 431 PHE C CB ? ? 1 +12334 C CB B PHE C 409 0.1893 0.7895 0.8730 0.0437 0.0089 0.0011 431 PHE C CB ? ? 1 +12335 C CG A PHE C 409 0.1791 0.7890 0.8712 0.0417 0.0067 0.0028 431 PHE C CG ? ? 1 +12336 C CG B PHE C 409 0.1791 0.7888 0.8710 0.0416 0.0067 0.0028 431 PHE C CG ? ? 1 +12337 C CD2 A PHE C 409 0.1721 0.7941 0.8732 0.0412 0.0088 0.0022 431 PHE C CD2 ? ? 1 +12338 C CD2 B PHE C 409 0.1769 0.7832 0.8674 0.0400 0.0026 0.0050 431 PHE C CD2 ? ? 1 +12339 C CD1 A PHE C 409 0.1774 0.7838 0.8681 0.0404 0.0026 0.0050 431 PHE C CD1 ? ? 1 +12340 C CD1 B PHE C 409 0.1721 0.7938 0.8729 0.0412 0.0089 0.0021 431 PHE C CD1 ? ? 1 +12341 C CE2 A PHE C 409 0.1635 0.7936 0.8716 0.0394 0.0066 0.0036 431 PHE C CE2 ? ? 1 +12342 C CE2 B PHE C 409 0.1682 0.7829 0.8657 0.0384 0.0006 0.0065 431 PHE C CE2 ? ? 1 +12343 C CE1 A PHE C 409 0.1688 0.7834 0.8663 0.0387 0.0005 0.0065 431 PHE C CE1 ? ? 1 +12344 C CE1 B PHE C 409 0.1632 0.7933 0.8713 0.0394 0.0067 0.0035 431 PHE C CE1 ? ? 1 +12345 C CZ A PHE C 409 0.1619 0.7883 0.8681 0.0383 0.0024 0.0057 431 PHE C CZ ? ? 1 +12346 C CZ B PHE C 409 0.1614 0.7879 0.8676 0.0381 0.0025 0.0057 431 PHE C CZ ? ? 1 +12347 N N . VAL C 410 0.2060 0.7843 0.8768 0.0499 0.0033 0.0021 432 VAL C N ? ? 1 +12348 C CA . VAL C 410 0.2098 0.7801 0.8763 0.0503 -0.0003 0.0039 432 VAL C CA ? ? 1 +12349 C CB . VAL C 410 0.2167 0.7734 0.8727 0.0471 -0.0011 0.0040 432 VAL C CB ? ? 1 +12350 C CG1 . VAL C 410 0.2234 0.7702 0.8741 0.0487 -0.0039 0.0053 432 VAL C CG1 ? ? 1 +12351 C CG2 . VAL C 410 0.2097 0.7676 0.8651 0.0401 -0.0018 0.0050 432 VAL C CG2 ? ? 1 +12352 C C . VAL C 410 0.2166 0.7860 0.8842 0.0574 -0.0009 0.0033 432 VAL C C ? ? 1 +12353 O O . VAL C 410 0.2150 0.7858 0.8850 0.0590 -0.0036 0.0049 432 VAL C O ? ? 1 +12354 N N . LEU C 411 0.2260 0.7925 0.8912 0.0618 0.0018 0.0010 433 LEU C N ? ? 1 +12355 C CA . LEU C 411 0.2339 0.8001 0.9004 0.0692 0.0015 0.0001 433 LEU C CA ? ? 1 +12356 C CB . LEU C 411 0.2432 0.8052 0.9059 0.0730 0.0050 -0.0026 433 LEU C CB ? ? 1 +12357 C CG . LEU C 411 0.2535 0.8000 0.9042 0.0715 0.0050 -0.0029 433 LEU C CG ? ? 1 +12358 C CD1 . LEU C 411 0.2621 0.8055 0.9093 0.0752 0.0088 -0.0058 433 LEU C CD1 ? ? 1 +12359 C CD2 . LEU C 411 0.2616 0.7973 0.9062 0.0740 0.0019 -0.0016 433 LEU C CD2 ? ? 1 +12360 C C . LEU C 411 0.2269 0.8075 0.9049 0.0720 0.0010 0.0001 433 LEU C C ? ? 1 +12361 O O . LEU C 411 0.2288 0.8096 0.9084 0.0758 -0.0018 0.0010 433 LEU C O ? ? 1 +12362 N N . ALA C 412 0.2202 0.8123 0.9059 0.0698 0.0036 -0.0009 434 ALA C N ? ? 1 +12363 C CA . ALA C 412 0.2142 0.8207 0.9115 0.0719 0.0033 -0.0013 434 ALA C CA ? ? 1 +12364 C CB . ALA C 412 0.2067 0.8239 0.9108 0.0686 0.0071 -0.0027 434 ALA C CB ? ? 1 +12365 C C . ALA C 412 0.2093 0.8185 0.9093 0.0698 -0.0010 0.0012 434 ALA C C ? ? 1 +12366 O O . ALA C 412 0.2076 0.8233 0.9136 0.0740 -0.0031 0.0012 434 ALA C O ? ? 1 +12367 N N . PHE C 413 0.2070 0.8111 0.9023 0.0635 -0.0022 0.0032 435 PHE C N ? ? 1 +12368 C CA . PHE C 413 0.2026 0.8084 0.8995 0.0610 -0.0059 0.0057 435 PHE C CA ? ? 1 +12369 C CB . PHE C 413 0.1999 0.8006 0.8920 0.0537 -0.0064 0.0075 435 PHE C CB ? ? 1 +12370 C CG . PHE C 413 0.1964 0.7976 0.8893 0.0517 -0.0100 0.0100 435 PHE C CG ? ? 1 +12371 C CD1 . PHE C 413 0.1881 0.8007 0.8895 0.0510 -0.0111 0.0104 435 PHE C CD1 ? ? 1 +12372 C CD2 . PHE C 413 0.2037 0.7934 0.8885 0.0509 -0.0123 0.0118 435 PHE C CD2 ? ? 1 +12373 C CE1 . PHE C 413 0.1859 0.7986 0.8875 0.0496 -0.0144 0.0127 435 PHE C CE1 ? ? 1 +12374 C CE2 . PHE C 413 0.2008 0.7907 0.8860 0.0493 -0.0153 0.0142 435 PHE C CE2 ? ? 1 +12375 C CZ . PHE C 413 0.1923 0.7936 0.8857 0.0488 -0.0164 0.0146 435 PHE C CZ ? ? 1 +12376 C C . PHE C 413 0.2107 0.8087 0.9031 0.0655 -0.0092 0.0069 435 PHE C C ? ? 1 +12377 O O . PHE C 413 0.2092 0.8128 0.9063 0.0679 -0.0118 0.0077 435 PHE C O ? ? 1 +12378 N N . PHE C 414 0.2219 0.8066 0.9046 0.0666 -0.0090 0.0070 436 PHE C N ? ? 1 +12379 C CA . PHE C 414 0.2315 0.8069 0.9084 0.0706 -0.0118 0.0083 436 PHE C CA ? ? 1 +12380 C CB . PHE C 414 0.2444 0.8040 0.9098 0.0697 -0.0112 0.0084 436 PHE C CB ? ? 1 +12381 C CG . PHE C 414 0.2442 0.7971 0.9044 0.0628 -0.0125 0.0105 436 PHE C CG ? ? 1 +12382 C CD1 . PHE C 414 0.2447 0.7961 0.9042 0.0615 -0.0154 0.0130 436 PHE C CD1 ? ? 1 +12383 C CD2 . PHE C 414 0.2452 0.7936 0.9014 0.0576 -0.0108 0.0099 436 PHE C CD2 ? ? 1 +12384 C CE1 . PHE C 414 0.2454 0.7912 0.9008 0.0550 -0.0163 0.0149 436 PHE C CE1 ? ? 1 +12385 C CE2 . PHE C 414 0.2446 0.7878 0.8969 0.0513 -0.0121 0.0116 436 PHE C CE2 ? ? 1 +12386 C CZ . PHE C 414 0.2437 0.7858 0.8959 0.0499 -0.0147 0.0141 436 PHE C CZ ? ? 1 +12387 C C . PHE C 414 0.2343 0.8142 0.9153 0.0788 -0.0124 0.0069 436 PHE C C ? ? 1 +12388 O O . PHE C 414 0.2373 0.8148 0.9171 0.0822 -0.0156 0.0082 436 PHE C O ? ? 1 +12389 N N . PHE C 415 0.2335 0.8201 0.9195 0.0818 -0.0095 0.0042 437 PHE C N ? ? 1 +12390 C CA . PHE C 415 0.2371 0.8300 0.9287 0.0897 -0.0098 0.0024 437 PHE C CA ? ? 1 +12391 C CB . PHE C 415 0.2398 0.8360 0.9338 0.0926 -0.0055 -0.0007 437 PHE C CB ? ? 1 +12392 C CG . PHE C 415 0.2531 0.8350 0.9369 0.0968 -0.0049 -0.0013 437 PHE C CG ? ? 1 +12393 C CD1 . PHE C 415 0.2584 0.8262 0.9312 0.0925 -0.0049 0.0000 437 PHE C CD1 ? ? 1 +12394 C CD2 . PHE C 415 0.2611 0.8431 0.9459 0.1051 -0.0048 -0.0031 437 PHE C CD2 ? ? 1 +12395 C CE1 . PHE C 415 0.2713 0.8252 0.9342 0.0962 -0.0045 -0.0006 437 PHE C CE1 ? ? 1 +12396 C CE2 . PHE C 415 0.2745 0.8424 0.9491 0.1091 -0.0044 -0.0036 437 PHE C CE2 ? ? 1 +12397 C CZ . PHE C 415 0.2796 0.8332 0.9431 0.1044 -0.0042 -0.0023 437 PHE C CZ ? ? 1 +12398 C C . PHE C 415 0.2276 0.8345 0.9299 0.0904 -0.0120 0.0027 437 PHE C C ? ? 1 +12399 O O . PHE C 415 0.2304 0.8401 0.9354 0.0967 -0.0145 0.0023 437 PHE C O ? ? 1 +12400 N N . LEU C 416 0.2169 0.8319 0.9245 0.0839 -0.0115 0.0033 438 LEU C N ? ? 1 +12401 C CA . LEU C 416 0.2083 0.8352 0.9249 0.0836 -0.0140 0.0038 438 LEU C CA ? ? 1 +12402 C CB . LEU C 416 0.1969 0.8326 0.9193 0.0764 -0.0123 0.0040 438 LEU C CB ? ? 1 +12403 C CG . LEU C 416 0.1886 0.8368 0.9205 0.0757 -0.0147 0.0042 438 LEU C CG ? ? 1 +12404 C CD1 . LEU C 416 0.1875 0.8485 0.9301 0.0808 -0.0140 0.0013 438 LEU C CD1 ? ? 1 +12405 C CD2 . LEU C 416 0.1794 0.8328 0.9143 0.0681 -0.0134 0.0049 438 LEU C CD2 ? ? 1 +12406 C C . LEU C 416 0.2111 0.8312 0.9224 0.0843 -0.0186 0.0065 438 LEU C C ? ? 1 +12407 O O . LEU C 416 0.2129 0.8387 0.9287 0.0887 -0.0216 0.0065 438 LEU C O ? ? 1 +12408 N N . VAL C 417 0.2121 0.8200 0.9138 0.0800 -0.0190 0.0088 439 VAL C N ? ? 1 +12409 C CA . VAL C 417 0.2157 0.8153 0.9110 0.0804 -0.0226 0.0115 439 VAL C CA ? ? 1 +12410 C CB . VAL C 417 0.2174 0.8045 0.9031 0.0743 -0.0221 0.0136 439 VAL C CB ? ? 1 +12411 C CG1 . VAL C 417 0.2243 0.8009 0.9022 0.0754 -0.0252 0.0163 439 VAL C CG1 ? ? 1 +12412 C CG2 . VAL C 417 0.2060 0.7997 0.8958 0.0667 -0.0211 0.0142 439 VAL C CG2 ? ? 1 +12413 C C . VAL C 417 0.2270 0.8200 0.9180 0.0886 -0.0245 0.0112 439 VAL C C ? ? 1 +12414 O O . VAL C 417 0.2291 0.8222 0.9198 0.0918 -0.0280 0.0125 439 VAL C O ? ? 1 +12415 N N . GLY C 418 0.2354 0.8221 0.9224 0.0921 -0.0223 0.0096 440 GLY C N ? ? 1 +12416 C CA . GLY C 418 0.2469 0.8274 0.9298 0.1004 -0.0237 0.0090 440 GLY C CA ? ? 1 +12417 C C . GLY C 418 0.2443 0.8379 0.9372 0.1068 -0.0258 0.0074 440 GLY C C ? ? 1 +12418 O O . GLY C 418 0.2515 0.8416 0.9416 0.1127 -0.0292 0.0082 440 GLY C O ? ? 1 +12419 N N . HIS C 419 0.2346 0.8432 0.9389 0.1054 -0.0238 0.0052 441 HIS C N ? ? 1 +12420 C CA . HIS C 419 0.2301 0.8532 0.9456 0.1103 -0.0256 0.0033 441 HIS C CA ? ? 1 +12421 C CB . HIS C 419 0.2196 0.8581 0.9470 0.1069 -0.0222 0.0009 441 HIS C CB ? ? 1 +12422 C CG . HIS C 419 0.2146 0.8688 0.9542 0.1101 -0.0245 -0.0008 441 HIS C CG ? ? 1 +12423 N ND1 . HIS C 419 0.2202 0.8793 0.9644 0.1188 -0.0259 -0.0030 441 HIS C ND1 ? ? 1 +12424 C CE1 . HIS C 419 0.2131 0.8865 0.9682 0.1194 -0.0283 -0.0042 441 HIS C CE1 ? ? 1 +12425 N NE2 . HIS C 419 0.2037 0.8810 0.9610 0.1118 -0.0284 -0.0027 441 HIS C NE2 ? ? 1 +12426 C CD2 . HIS C 419 0.2045 0.8696 0.9520 0.1060 -0.0260 -0.0005 441 HIS C CD2 ? ? 1 +12427 C C . HIS C 419 0.2260 0.8516 0.9424 0.1099 -0.0303 0.0054 441 HIS C C ? ? 1 +12428 O O . HIS C 419 0.2299 0.8568 0.9471 0.1166 -0.0338 0.0052 441 HIS C O ? ? 1 +12429 N N . LEU C 420 0.2182 0.8440 0.9338 0.1022 -0.0303 0.0074 442 LEU C N ? ? 1 +12430 C CA . LEU C 420 0.2151 0.8425 0.9308 0.1013 -0.0344 0.0095 442 LEU C CA ? ? 1 +12431 C CB . LEU C 420 0.2060 0.8331 0.9207 0.0922 -0.0334 0.0115 442 LEU C CB ? ? 1 +12432 C CG . LEU C 420 0.1937 0.8341 0.9187 0.0870 -0.0307 0.0098 442 LEU C CG ? ? 1 +12433 C CD1 . LEU C 420 0.1867 0.8245 0.9089 0.0786 -0.0299 0.0119 442 LEU C CD1 ? ? 1 +12434 C CD2 . LEU C 420 0.1871 0.8430 0.9239 0.0895 -0.0327 0.0080 442 LEU C CD2 ? ? 1 +12435 C C . LEU C 420 0.2270 0.8407 0.9317 0.1059 -0.0377 0.0118 442 LEU C C ? ? 1 +12436 O O . LEU C 420 0.2294 0.8459 0.9353 0.1101 -0.0417 0.0123 442 LEU C O ? ? 1 +12437 N N A TRP C 421 0.2348 0.8334 0.9286 0.1048 -0.0359 0.0131 443 TRP C N ? ? 1 +12438 N N B TRP C 421 0.2350 0.8335 0.9287 0.1048 -0.0359 0.0131 443 TRP C N ? ? 1 +12439 C CA A TRP C 421 0.2468 0.8303 0.9288 0.1085 -0.0383 0.0154 443 TRP C CA ? ? 1 +12440 C CA B TRP C 421 0.2472 0.8306 0.9292 0.1085 -0.0383 0.0154 443 TRP C CA ? ? 1 +12441 C C A TRP C 421 0.2553 0.8388 0.9374 0.1186 -0.0408 0.0140 443 TRP C C ? ? 1 +12442 C C B TRP C 421 0.2554 0.8390 0.9375 0.1186 -0.0408 0.0140 443 TRP C C ? ? 1 +12443 O O A TRP C 421 0.2602 0.8412 0.9391 0.1227 -0.0448 0.0155 443 TRP C O ? ? 1 +12444 O O B TRP C 421 0.2601 0.8410 0.9390 0.1227 -0.0447 0.0155 443 TRP C O ? ? 1 +12445 C CB A TRP C 421 0.2548 0.8228 0.9261 0.1054 -0.0355 0.0163 443 TRP C CB ? ? 1 +12446 C CB B TRP C 421 0.2556 0.8235 0.9268 0.1054 -0.0355 0.0164 443 TRP C CB ? ? 1 +12447 C CG A TRP C 421 0.2689 0.8203 0.9275 0.1085 -0.0374 0.0188 443 TRP C CG ? ? 1 +12448 C CG B TRP C 421 0.2702 0.8215 0.9287 0.1085 -0.0374 0.0188 443 TRP C CG ? ? 1 +12449 C CD1 A TRP C 421 0.2827 0.8246 0.9347 0.1160 -0.0381 0.0183 443 TRP C CD1 ? ? 1 +12450 C CD1 B TRP C 421 0.2840 0.8261 0.9362 0.1161 -0.0382 0.0183 443 TRP C CD1 ? ? 1 +12451 C CD2 A TRP C 421 0.2714 0.8132 0.9220 0.1040 -0.0386 0.0220 443 TRP C CD2 ? ? 1 +12452 C CD2 B TRP C 421 0.2730 0.8147 0.9236 0.1040 -0.0386 0.0220 443 TRP C CD2 ? ? 1 +12453 N NE1 A TRP C 421 0.2934 0.8200 0.9335 0.1164 -0.0397 0.0212 443 TRP C NE1 ? ? 1 +12454 N NE1 B TRP C 421 0.2950 0.8217 0.9351 0.1165 -0.0397 0.0212 443 TRP C NE1 ? ? 1 +12455 C CE2 A TRP C 421 0.2868 0.8132 0.9259 0.1090 -0.0399 0.0235 443 TRP C CE2 ? ? 1 +12456 C CE2 B TRP C 421 0.2886 0.8149 0.9277 0.1090 -0.0399 0.0235 443 TRP C CE2 ? ? 1 +12457 C CE3 A TRP C 421 0.2626 0.8073 0.9147 0.0963 -0.0386 0.0238 443 TRP C CE3 ? ? 1 +12458 C CE3 B TRP C 421 0.2647 0.8089 0.9164 0.0962 -0.0385 0.0239 443 TRP C CE3 ? ? 1 +12459 C CZ2 A TRP C 421 0.2936 0.8075 0.9227 0.1062 -0.0409 0.0267 443 TRP C CZ2 ? ? 1 +12460 C CZ2 B TRP C 421 0.2959 0.8095 0.9248 0.1062 -0.0408 0.0267 443 TRP C CZ2 ? ? 1 +12461 C CZ3 A TRP C 421 0.2686 0.8015 0.9112 0.0938 -0.0396 0.0269 443 TRP C CZ3 ? ? 1 +12462 C CZ3 B TRP C 421 0.2710 0.8033 0.9132 0.0937 -0.0395 0.0269 443 TRP C CZ3 ? ? 1 +12463 C CH2 A TRP C 421 0.2840 0.8017 0.9153 0.0985 -0.0406 0.0284 443 TRP C CH2 ? ? 1 +12464 C CH2 B TRP C 421 0.2864 0.8036 0.9174 0.0985 -0.0405 0.0284 443 TRP C CH2 ? ? 1 +12465 N N . HIS C 422 0.2575 0.8439 0.9430 0.1227 -0.0385 0.0112 444 HIS C N ? ? 1 +12466 C CA . HIS C 422 0.2664 0.8529 0.9523 0.1326 -0.0405 0.0096 444 HIS C CA ? ? 1 +12467 C CB . HIS C 422 0.2721 0.8559 0.9575 0.1355 -0.0367 0.0072 444 HIS C CB ? ? 1 +12468 C CG . HIS C 422 0.2841 0.8486 0.9554 0.1340 -0.0350 0.0089 444 HIS C CG ? ? 1 +12469 N ND1 . HIS C 422 0.2981 0.8478 0.9580 0.1388 -0.0376 0.0109 444 HIS C ND1 ? ? 1 +12470 C CE1 . HIS C 422 0.3055 0.8403 0.9550 0.1355 -0.0351 0.0118 444 HIS C CE1 ? ? 1 +12471 N NE2 . HIS C 422 0.2973 0.8368 0.9509 0.1291 -0.0314 0.0106 444 HIS C NE2 ? ? 1 +12472 C CD2 . HIS C 422 0.2842 0.8420 0.9512 0.1281 -0.0312 0.0088 444 HIS C CD2 ? ? 1 +12473 C C . HIS C 422 0.2581 0.8614 0.9561 0.1371 -0.0436 0.0078 444 HIS C C ? ? 1 +12474 O O . HIS C 422 0.2658 0.8676 0.9621 0.1448 -0.0474 0.0077 444 HIS C O ? ? 1 +12475 N N . ALA C 423 0.2436 0.8624 0.9536 0.1322 -0.0422 0.0062 445 ALA C N ? ? 1 +12476 C CA . ALA C 423 0.2371 0.8726 0.9594 0.1355 -0.0451 0.0042 445 ALA C CA ? ? 1 +12477 C CB . ALA C 423 0.2230 0.8741 0.9580 0.1293 -0.0421 0.0022 445 ALA C CB ? ? 1 +12478 C C . ALA C 423 0.2373 0.8709 0.9562 0.1359 -0.0502 0.0066 445 ALA C C ? ? 1 +12479 O O . ALA C 423 0.2406 0.8799 0.9631 0.1427 -0.0545 0.0056 445 ALA C O ? ? 1 +12480 N N . GLY C 424 0.2341 0.8597 0.9460 0.1287 -0.0499 0.0097 446 GLY C N ? ? 1 +12481 C CA . GLY C 424 0.2355 0.8576 0.9425 0.1285 -0.0542 0.0123 446 GLY C CA ? ? 1 +12482 C C . GLY C 424 0.2507 0.8594 0.9465 0.1363 -0.0575 0.0139 446 GLY C C ? ? 1 +12483 O O . GLY C 424 0.2543 0.8649 0.9496 0.1408 -0.0622 0.0144 446 GLY C O ? ? 1 +12484 N N . ARG C 425 0.2610 0.8555 0.9471 0.1378 -0.0551 0.0146 447 ARG C N ? ? 1 +12485 C CA . ARG C 425 0.2772 0.8565 0.9510 0.1447 -0.0575 0.0163 447 ARG C CA ? ? 1 +12486 C CB . ARG C 425 0.2854 0.8475 0.9476 0.1424 -0.0538 0.0177 447 ARG C CB ? ? 1 +12487 C CG . ARG C 425 0.3022 0.8455 0.9491 0.1470 -0.0559 0.0205 447 ARG C CG ? ? 1 +12488 C CD . ARG C 425 0.3123 0.8390 0.9485 0.1456 -0.0523 0.0212 447 ARG C CD ? ? 1 +12489 N NE . ARG C 425 0.3292 0.8372 0.9505 0.1497 -0.0541 0.0239 447 ARG C NE ? ? 1 +12490 C CZ . ARG C 425 0.3418 0.8443 0.9582 0.1596 -0.0568 0.0235 447 ARG C CZ ? ? 1 +12491 N NH1 . ARG C 425 0.3414 0.8542 0.9663 0.1666 -0.0574 0.0202 447 ARG C NH1 ? ? 1 +12492 N NH2 . ARG C 425 0.3564 0.8424 0.9590 0.1626 -0.0588 0.0264 447 ARG C NH2 ? ? 1 +12493 C C . ARG C 425 0.2845 0.8699 0.9630 0.1553 -0.0603 0.0136 447 ARG C C ? ? 1 +12494 O O . ARG C 425 0.2954 0.8742 0.9672 0.1623 -0.0644 0.0147 447 ARG C O ? ? 1 +12495 N N . ALA C 426 0.2793 0.8768 0.9688 0.1568 -0.0579 0.0101 448 ALA C N ? ? 1 +12496 C CA . ALA C 426 0.2851 0.8909 0.9813 0.1667 -0.0602 0.0071 448 ALA C CA ? ? 1 +12497 C CB . ALA C 426 0.2773 0.8960 0.9856 0.1662 -0.0561 0.0033 448 ALA C CB ? ? 1 +12498 C C . ALA C 426 0.2828 0.9003 0.9860 0.1700 -0.0657 0.0065 448 ALA C C ? ? 1 +12499 O O . ALA C 426 0.2938 0.9088 0.9939 0.1789 -0.0701 0.0063 448 ALA C O ? ? 1 +12500 N N . ARG C 427 0.2705 0.9000 0.9825 0.1628 -0.0655 0.0063 449 ARG C N ? ? 1 +12501 C CA . ARG C 427 0.2667 0.9075 0.9854 0.1644 -0.0706 0.0058 449 ARG C CA ? ? 1 +12502 C CB . ARG C 427 0.2524 0.9048 0.9801 0.1547 -0.0688 0.0056 449 ARG C CB ? ? 1 +12503 C CG . ARG C 427 0.2429 0.9145 0.9874 0.1532 -0.0664 0.0016 449 ARG C CG ? ? 1 +12504 C CD . ARG C 427 0.2422 0.9296 0.9981 0.1583 -0.0714 -0.0012 449 ARG C CD ? ? 1 +12505 N NE . ARG C 427 0.2341 0.9401 1.0066 0.1567 -0.0687 -0.0053 449 ARG C NE ? ? 1 +12506 C CZ . ARG C 427 0.2250 0.9469 1.0098 0.1532 -0.0700 -0.0072 449 ARG C CZ ? ? 1 +12507 N NH1 . ARG C 427 0.2242 0.9477 1.0078 0.1528 -0.0751 -0.0061 449 ARG C NH1 ? ? 1 +12508 N NH2 . ARG C 427 0.2173 0.9538 1.0157 0.1501 -0.0661 -0.0105 449 ARG C NH2 ? ? 1 +12509 C C . ARG C 427 0.2767 0.9040 0.9821 0.1677 -0.0752 0.0092 449 ARG C C ? ? 1 +12510 O O . ARG C 427 0.2831 0.9136 0.9893 0.1755 -0.0804 0.0084 449 ARG C O ? ? 1 +12511 N N . ALA C 428 0.2792 0.8912 0.9723 0.1618 -0.0733 0.0129 450 ALA C N ? ? 1 +12512 C CA . ALA C 428 0.2891 0.8874 0.9689 0.1636 -0.0768 0.0165 450 ALA C CA ? ? 1 +12513 C CB . ALA C 428 0.2877 0.8732 0.9577 0.1545 -0.0733 0.0200 450 ALA C CB ? ? 1 +12514 C C . ALA C 428 0.3068 0.8920 0.9759 0.1737 -0.0794 0.0171 450 ALA C C ? ? 1 +12515 O O . ALA C 428 0.3151 0.8957 0.9778 0.1792 -0.0842 0.0185 450 ALA C O ? ? 1 +12516 N N . ALA C 429 0.3131 0.8920 0.9797 0.1762 -0.0760 0.0161 451 ALA C N ? ? 1 +12517 C CA . ALA C 429 0.3311 0.8969 0.9874 0.1857 -0.0779 0.0165 451 ALA C CA ? ? 1 +12518 C CB . ALA C 429 0.3357 0.8923 0.9879 0.1850 -0.0728 0.0160 451 ALA C CB ? ? 1 +12519 C C . ALA C 429 0.3351 0.9127 0.9996 0.1963 -0.0827 0.0134 451 ALA C C ? ? 1 +12520 O O . ALA C 429 0.3475 0.9160 1.0029 0.2045 -0.0870 0.0146 451 ALA C O ? ? 1 +12521 N N . ALA C 430 0.3246 0.9225 1.0062 0.1959 -0.0820 0.0095 452 ALA C N ? ? 1 +12522 C CA . ALA C 430 0.3278 0.9399 1.0198 0.2052 -0.0866 0.0060 452 ALA C CA ? ? 1 +12523 C CB . ALA C 430 0.3134 0.9466 1.0242 0.2028 -0.0838 0.0017 452 ALA C CB ? ? 1 +12524 C C . ALA C 430 0.3302 0.9464 1.0218 0.2075 -0.0930 0.0069 452 ALA C C ? ? 1 +12525 O O . ALA C 430 0.3415 0.9598 1.0331 0.2173 -0.0983 0.0057 452 ALA C O ? ? 1 +12526 N N . ALA C 431 0.3218 0.9390 1.0130 0.1986 -0.0926 0.0090 453 ALA C N ? ? 1 +12527 C CA . ALA C 431 0.3230 0.9435 1.0132 0.1999 -0.0983 0.0100 453 ALA C CA ? ? 1 +12528 C CB . ALA C 431 0.3068 0.9384 1.0055 0.1897 -0.0969 0.0100 453 ALA C CB ? ? 1 +12529 C C . ALA C 431 0.3397 0.9386 1.0102 0.2025 -0.1006 0.0144 453 ALA C C ? ? 1 +12530 O O . ALA C 431 0.3454 0.9432 1.0115 0.2061 -0.1059 0.0155 453 ALA C O ? ? 1 +12531 N N . GLY C 432 0.3493 0.9306 1.0077 0.2005 -0.0963 0.0170 454 GLY C N ? ? 1 +12532 C CA . GLY C 432 0.3673 0.9266 1.0065 0.2038 -0.0976 0.0210 454 GLY C CA ? ? 1 +12533 C C . GLY C 432 0.3670 0.9153 0.9960 0.1954 -0.0963 0.0251 454 GLY C C ? ? 1 +12534 O O . GLY C 432 0.3802 0.9150 0.9956 0.1988 -0.0993 0.0281 454 GLY C O ? ? 1 +12535 N N A PHE C 433 0.3536 0.9073 0.9886 0.1847 -0.0917 0.0253 455 PHE C N ? ? 1 +12536 N N B PHE C 433 0.3530 0.9068 0.9881 0.1847 -0.0917 0.0253 455 PHE C N ? ? 1 +12537 C CA A PHE C 433 0.3533 0.8970 0.9793 0.1763 -0.0898 0.0291 455 PHE C CA ? ? 1 +12538 C CA B PHE C 433 0.3527 0.8964 0.9787 0.1763 -0.0898 0.0291 455 PHE C CA ? ? 1 +12539 C C A PHE C 433 0.3469 0.8859 0.9727 0.1668 -0.0832 0.0299 455 PHE C C ? ? 1 +12540 C C B PHE C 433 0.3466 0.8852 0.9720 0.1668 -0.0832 0.0300 455 PHE C C ? ? 1 +12541 O O A PHE C 433 0.3383 0.8783 0.9647 0.1580 -0.0811 0.0314 455 PHE C O ? ? 1 +12542 O O B PHE C 433 0.3387 0.8774 0.9639 0.1581 -0.0811 0.0317 455 PHE C O ? ? 1 +12543 C CB A PHE C 433 0.3423 0.8993 0.9760 0.1727 -0.0928 0.0288 455 PHE C CB ? ? 1 +12544 C CB B PHE C 433 0.3414 0.8982 0.9749 0.1727 -0.0928 0.0288 455 PHE C CB ? ? 1 +12545 C CG A PHE C 433 0.3257 0.9052 0.9784 0.1699 -0.0926 0.0248 455 PHE C CG ? ? 1 +12546 C CG B PHE C 433 0.3248 0.9042 0.9774 0.1699 -0.0926 0.0248 455 PHE C CG ? ? 1 +12547 C CD1 A PHE C 433 0.3119 0.8976 0.9721 0.1605 -0.0874 0.0242 455 PHE C CD1 ? ? 1 +12548 C CD1 B PHE C 433 0.3106 0.8964 0.9708 0.1605 -0.0875 0.0242 455 PHE C CD1 ? ? 1 +12549 C CD2 A PHE C 433 0.3251 0.9194 0.9880 0.1766 -0.0976 0.0216 455 PHE C CD2 ? ? 1 +12550 C CD2 B PHE C 433 0.3241 0.9183 0.9869 0.1767 -0.0976 0.0216 455 PHE C CD2 ? ? 1 +12551 C CE1 A PHE C 433 0.2973 0.9028 0.9743 0.1578 -0.0869 0.0207 455 PHE C CE1 ? ? 1 +12552 C CE1 B PHE C 433 0.2961 0.9018 0.9732 0.1578 -0.0870 0.0207 455 PHE C CE1 ? ? 1 +12553 C CE2 A PHE C 433 0.3096 0.9244 0.9901 0.1736 -0.0970 0.0179 455 PHE C CE2 ? ? 1 +12554 C CE2 B PHE C 433 0.3084 0.9232 0.9889 0.1737 -0.0971 0.0179 455 PHE C CE2 ? ? 1 +12555 C CZ A PHE C 433 0.2963 0.9162 0.9834 0.1642 -0.0915 0.0176 455 PHE C CZ ? ? 1 +12556 C CZ B PHE C 433 0.2952 0.9152 0.9824 0.1642 -0.0916 0.0175 455 PHE C CZ ? ? 1 +12557 N N A GLU C 434 0.3531 0.8862 0.9772 0.1690 -0.0802 0.0289 456 GLU C N ? ? 1 +12558 N N B GLU C 434 0.3522 0.8855 0.9764 0.1690 -0.0802 0.0288 456 GLU C N ? ? 1 +12559 C CA A GLU C 434 0.3484 0.8768 0.9719 0.1608 -0.0743 0.0293 456 GLU C CA ? ? 1 +12560 C CA B GLU C 434 0.3476 0.8760 0.9711 0.1607 -0.0743 0.0293 456 GLU C CA ? ? 1 +12561 C C A GLU C 434 0.3612 0.8684 0.9683 0.1569 -0.0722 0.0333 456 GLU C C ? ? 1 +12562 C C B GLU C 434 0.3603 0.8677 0.9675 0.1567 -0.0722 0.0333 456 GLU C C ? ? 1 +12563 O O A GLU C 434 0.3568 0.8593 0.9624 0.1490 -0.0677 0.0341 456 GLU C O ? ? 1 +12564 O O B GLU C 434 0.3551 0.8582 0.9611 0.1484 -0.0677 0.0342 456 GLU C O ? ? 1 +12565 C CB A GLU C 434 0.3498 0.8797 0.9775 0.1646 -0.0719 0.0264 456 GLU C CB ? ? 1 +12566 C CB B GLU C 434 0.3492 0.8789 0.9768 0.1645 -0.0718 0.0264 456 GLU C CB ? ? 1 +12567 C CG A GLU C 434 0.3685 0.8793 0.9821 0.1708 -0.0716 0.0277 456 GLU C CG ? ? 1 +12568 C CG B GLU C 434 0.3678 0.8787 0.9816 0.1709 -0.0715 0.0276 456 GLU C CG ? ? 1 +12569 C CD A GLU C 434 0.3824 0.8902 0.9916 0.1826 -0.0767 0.0274 456 GLU C CD ? ? 1 +12570 C CD B GLU C 434 0.3820 0.8901 0.9915 0.1826 -0.0767 0.0273 456 GLU C CD ? ? 1 +12571 O OE1 A GLU C 434 0.3778 0.8982 0.9943 0.1862 -0.0812 0.0263 456 GLU C OE1 ? ? 1 +12572 O OE1 B GLU C 434 0.3776 0.8980 0.9941 0.1861 -0.0812 0.0263 456 GLU C OE1 ? ? 1 +12573 O OE2 A GLU C 434 0.3981 0.8905 0.9961 0.1882 -0.0764 0.0282 456 GLU C OE2 ? ? 1 +12574 O OE2 B GLU C 434 0.3974 0.8910 0.9965 0.1885 -0.0763 0.0278 456 GLU C OE2 ? ? 1 +12575 N N A LYS C 435 0.3777 0.8726 0.9727 0.1626 -0.0755 0.0357 457 LYS C N ? ? 1 +12576 N N B LYS C 435 0.3774 0.8719 0.9722 0.1627 -0.0754 0.0357 457 LYS C N ? ? 1 +12577 C CA A LYS C 435 0.3922 0.8661 0.9708 0.1597 -0.0735 0.0396 457 LYS C CA ? ? 1 +12578 C CA B LYS C 435 0.3918 0.8654 0.9703 0.1596 -0.0734 0.0396 457 LYS C CA ? ? 1 +12579 C C A LYS C 435 0.3913 0.8631 0.9654 0.1548 -0.0746 0.0425 457 LYS C C ? ? 1 +12580 C C B LYS C 435 0.3904 0.8624 0.9647 0.1546 -0.0745 0.0425 457 LYS C C ? ? 1 +12581 O O A LYS C 435 0.4015 0.8566 0.9623 0.1520 -0.0729 0.0459 457 LYS C O ? ? 1 +12582 O O B LYS C 435 0.3999 0.8554 0.9612 0.1514 -0.0726 0.0458 457 LYS C O ? ? 1 +12583 C CB A LYS C 435 0.4135 0.8713 0.9789 0.1693 -0.0757 0.0407 457 LYS C CB ? ? 1 +12584 C CB B LYS C 435 0.4135 0.8710 0.9787 0.1692 -0.0756 0.0407 457 LYS C CB ? ? 1 +12585 C CG A LYS C 435 0.4190 0.8751 0.9861 0.1742 -0.0741 0.0382 457 LYS C CG ? ? 1 +12586 C CG B LYS C 435 0.4195 0.8751 0.9862 0.1742 -0.0740 0.0382 457 LYS C CG ? ? 1 +12587 C CD A LYS C 435 0.4398 0.8821 0.9950 0.1851 -0.0770 0.0389 457 LYS C CD ? ? 1 +12588 C CD B LYS C 435 0.4403 0.8823 0.9953 0.1851 -0.0770 0.0389 457 LYS C CD ? ? 1 +12589 C CE A LYS C 435 0.4446 0.8855 1.0018 0.1899 -0.0752 0.0362 457 LYS C CE ? ? 1 +12590 C CE B LYS C 435 0.4459 0.8852 1.0020 0.1894 -0.0748 0.0365 457 LYS C CE ? ? 1 +12591 N NZ A LYS C 435 0.4637 0.8948 1.0120 0.2019 -0.0788 0.0363 457 LYS C NZ ? ? 1 +12592 N NZ B LYS C 435 0.4651 0.8948 1.0125 0.2014 -0.0784 0.0364 457 LYS C NZ ? ? 1 +12593 N N A GLY C 436 0.3803 0.8692 0.9656 0.1539 -0.0773 0.0411 458 GLY C N ? ? 1 +12594 N N B GLY C 436 0.3801 0.8688 0.9651 0.1542 -0.0774 0.0411 458 GLY C N ? ? 1 +12595 C CA A GLY C 436 0.3784 0.8671 0.9605 0.1494 -0.0785 0.0435 458 GLY C CA ? ? 1 +12596 C CA B GLY C 436 0.3779 0.8666 0.9600 0.1496 -0.0786 0.0435 458 GLY C CA ? ? 1 +12597 C C A GLY C 436 0.3813 0.8783 0.9657 0.1562 -0.0846 0.0429 458 GLY C C ? ? 1 +12598 C C B GLY C 436 0.3809 0.8777 0.9651 0.1565 -0.0847 0.0429 458 GLY C C ? ? 1 +12599 O O A GLY C 436 0.3851 0.8883 0.9738 0.1648 -0.0882 0.0405 458 GLY C O ? ? 1 +12600 O O B GLY C 436 0.3858 0.8876 0.9733 0.1653 -0.0884 0.0407 458 GLY C O ? ? 1 +12601 N N A ILE C 437 0.3805 0.8775 0.9619 0.1523 -0.0857 0.0449 459 ILE C N ? ? 1 +12602 N N B ILE C 437 0.3793 0.8770 0.9613 0.1522 -0.0857 0.0448 459 ILE C N ? ? 1 +12603 C CA A ILE C 437 0.3831 0.8871 0.9656 0.1577 -0.0915 0.0445 459 ILE C CA ? ? 1 +12604 C CA B ILE C 437 0.3817 0.8864 0.9648 0.1575 -0.0915 0.0444 459 ILE C CA ? ? 1 +12605 C C A ILE C 437 0.4054 0.8918 0.9708 0.1651 -0.0945 0.0473 459 ILE C C ? ? 1 +12606 C C B ILE C 437 0.4041 0.8911 0.9701 0.1651 -0.0945 0.0472 459 ILE C C ? ? 1 +12607 O O A ILE C 437 0.4157 0.8851 0.9674 0.1619 -0.0917 0.0510 459 ILE C O ? ? 1 +12608 O O B ILE C 437 0.4149 0.8846 0.9671 0.1618 -0.0916 0.0508 459 ILE C O ? ? 1 +12609 C CB A ILE C 437 0.3709 0.8832 0.9581 0.1497 -0.0911 0.0452 459 ILE C CB ? ? 1 +12610 C CB B ILE C 437 0.3698 0.8822 0.9571 0.1495 -0.0910 0.0452 459 ILE C CB ? ? 1 +12611 C CG1 A ILE C 437 0.3514 0.8806 0.9551 0.1426 -0.0882 0.0424 459 ILE C CG1 ? ? 1 +12612 C CG1 B ILE C 437 0.3503 0.8800 0.9543 0.1424 -0.0882 0.0424 459 ILE C CG1 ? ? 1 +12613 C CG2 A ILE C 437 0.3735 0.8916 0.9604 0.1550 -0.0973 0.0449 459 ILE C CG2 ? ? 1 +12614 C CG2 B ILE C 437 0.3726 0.8904 0.9592 0.1546 -0.0971 0.0450 459 ILE C CG2 ? ? 1 +12615 C CD1 A ILE C 437 0.3403 0.8741 0.9468 0.1335 -0.0862 0.0435 459 ILE C CD1 ? ? 1 +12616 C CD1 B ILE C 437 0.3393 0.8727 0.9456 0.1330 -0.0859 0.0436 459 ILE C CD1 ? ? 1 +12617 N N A ASP C 438 0.4136 0.9046 0.9802 0.1752 -0.1003 0.0456 460 ASP C N ? ? 1 +12618 N N B ASP C 438 0.4124 0.9040 0.9794 0.1751 -0.1003 0.0455 460 ASP C N ? ? 1 +12619 C CA A ASP C 438 0.4344 0.9106 0.9853 0.1833 -0.1043 0.0480 460 ASP C CA ? ? 1 +12620 C CA B ASP C 438 0.4335 0.9100 0.9846 0.1831 -0.1042 0.0480 460 ASP C CA ? ? 1 +12621 C C A ASP C 438 0.4356 0.9095 0.9803 0.1797 -0.1057 0.0505 460 ASP C C ? ? 1 +12622 C C B ASP C 438 0.4348 0.9087 0.9795 0.1796 -0.1057 0.0505 460 ASP C C ? ? 1 +12623 O O A ASP C 438 0.4233 0.9131 0.9787 0.1779 -0.1085 0.0485 460 ASP C O ? ? 1 +12624 O O B ASP C 438 0.4227 0.9124 0.9779 0.1780 -0.1085 0.0486 460 ASP C O ? ? 1 +12625 C CB A ASP C 438 0.4395 0.9245 0.9956 0.1949 -0.1106 0.0449 460 ASP C CB ? ? 1 +12626 C CB B ASP C 438 0.4392 0.9240 0.9952 0.1948 -0.1106 0.0450 460 ASP C CB ? ? 1 +12627 C CG A ASP C 438 0.4615 0.9312 1.0013 0.2045 -0.1152 0.0472 460 ASP C CG ? ? 1 +12628 C CG B ASP C 438 0.4618 0.9309 1.0012 0.2044 -0.1151 0.0473 460 ASP C CG ? ? 1 +12629 O OD1 A ASP C 438 0.4737 0.9249 0.9973 0.2023 -0.1132 0.0513 460 ASP C OD1 ? ? 1 +12630 O OD1 B ASP C 438 0.4747 0.9248 0.9977 0.2022 -0.1128 0.0514 460 ASP C OD1 ? ? 1 +12631 O OD2 A ASP C 438 0.4690 0.9453 1.0122 0.2144 -0.1209 0.0448 460 ASP C OD2 ? ? 1 +12632 O OD2 B ASP C 438 0.4704 0.9464 1.0132 0.2143 -0.1209 0.0449 460 ASP C OD2 ? ? 1 +12633 N N A ARG C 439 0.4512 0.9049 0.9785 0.1783 -0.1036 0.0547 461 ARG C N ? ? 1 +12634 N N B ARG C 439 0.4501 0.9037 0.9774 0.1782 -0.1035 0.0547 461 ARG C N ? ? 1 +12635 C CA A ARG C 439 0.4539 0.9031 0.9736 0.1744 -0.1040 0.0574 461 ARG C CA ? ? 1 +12636 C CA B ARG C 439 0.4530 0.9021 0.9726 0.1744 -0.1040 0.0574 461 ARG C CA ? ? 1 +12637 C C A ARG C 439 0.4627 0.9170 0.9806 0.1825 -0.1114 0.0567 461 ARG C C ? ? 1 +12638 C C B ARG C 439 0.4621 0.9163 0.9800 0.1825 -0.1114 0.0567 461 ARG C C ? ? 1 +12639 O O A ARG C 439 0.4556 0.9174 0.9764 0.1790 -0.1130 0.0567 461 ARG C O ? ? 1 +12640 O O B ARG C 439 0.4547 0.9166 0.9756 0.1790 -0.1130 0.0567 461 ARG C O ? ? 1 +12641 C CB A ARG C 439 0.4691 0.8944 0.9697 0.1720 -0.1000 0.0621 461 ARG C CB ? ? 1 +12642 C CB B ARG C 439 0.4680 0.8930 0.9683 0.1721 -0.0999 0.0621 461 ARG C CB ? ? 1 +12643 C CG A ARG C 439 0.4612 0.8818 0.9633 0.1620 -0.0925 0.0631 461 ARG C CG ? ? 1 +12644 C CG B ARG C 439 0.4598 0.8802 0.9617 0.1621 -0.0926 0.0631 461 ARG C CG ? ? 1 +12645 C CD A ARG C 439 0.4765 0.8746 0.9603 0.1588 -0.0885 0.0676 461 ARG C CD ? ? 1 +12646 C CD B ARG C 439 0.4753 0.8730 0.9589 0.1591 -0.0885 0.0676 461 ARG C CD ? ? 1 +12647 N NE A ARG C 439 0.4703 0.8641 0.9559 0.1493 -0.0817 0.0683 461 ARG C NE ? ? 1 +12648 N NE B ARG C 439 0.4688 0.8624 0.9543 0.1495 -0.0817 0.0683 461 ARG C NE ? ? 1 +12649 C CZ A ARG C 439 0.4609 0.8562 0.9485 0.1395 -0.0776 0.0696 461 ARG C CZ ? ? 1 +12650 C CZ B ARG C 439 0.4592 0.8548 0.9469 0.1397 -0.0777 0.0695 461 ARG C CZ ? ? 1 +12651 N NH1 A ARG C 439 0.4562 0.8570 0.9441 0.1375 -0.0792 0.0704 461 ARG C NH1 ? ? 1 +12652 N NH1 B ARG C 439 0.4543 0.8557 0.9426 0.1378 -0.0794 0.0703 461 ARG C NH1 ? ? 1 +12653 N NH2 A ARG C 439 0.4569 0.8484 0.9463 0.1316 -0.0719 0.0699 461 ARG C NH2 ? ? 1 +12654 N NH2 B ARG C 439 0.4551 0.8471 0.9449 0.1317 -0.0720 0.0698 461 ARG C NH2 ? ? 1 +12655 N N . GLU C 440 0.4794 0.9294 0.9923 0.1934 -0.1161 0.0559 462 GLU C N ? ? 1 +12656 C CA . GLU C 440 0.4925 0.9456 1.0021 0.2021 -0.1236 0.0552 462 GLU C CA ? ? 1 +12657 C CB . GLU C 440 0.5252 0.9637 1.0212 0.2139 -0.1275 0.0562 462 GLU C CB ? ? 1 +12658 C CG . GLU C 440 0.5518 0.9675 1.0322 0.2137 -0.1224 0.0597 462 GLU C CG ? ? 1 +12659 C CD . GLU C 440 0.5699 0.9686 1.0361 0.2057 -0.1171 0.0643 462 GLU C CD ? ? 1 +12660 O OE1 . GLU C 440 0.5806 0.9798 1.0429 0.2030 -0.1184 0.0658 462 GLU C OE1 ? ? 1 +12661 O OE2 . GLU C 440 0.5888 0.9737 1.0481 0.2019 -0.1114 0.0663 462 GLU C OE2 ? ? 1 +12662 C C . GLU C 440 0.4721 0.9502 1.0015 0.2041 -0.1282 0.0502 462 GLU C C ? ? 1 +12663 O O . GLU C 440 0.4791 0.9634 1.0089 0.2103 -0.1348 0.0489 462 GLU C O ? ? 1 +12664 N N . SER C 441 0.4506 0.9430 0.9965 0.1988 -0.1248 0.0473 463 SER C N ? ? 1 +12665 C CA . SER C 441 0.4323 0.9482 0.9975 0.2004 -0.1284 0.0424 463 SER C CA ? ? 1 +12666 C CB . SER C 441 0.4407 0.9597 1.0104 0.2098 -0.1307 0.0398 463 SER C CB ? ? 1 +12667 O OG . SER C 441 0.4318 0.9736 1.0206 0.2119 -0.1340 0.0348 463 SER C OG ? ? 1 +12668 C C . SER C 441 0.4051 0.9350 0.9856 0.1895 -0.1233 0.0408 463 SER C C ? ? 1 +12669 O O . SER C 441 0.3939 0.9385 0.9895 0.1895 -0.1226 0.0372 463 SER C O ? ? 1 +12670 N N A GLU C 442 0.3972 0.9223 0.9733 0.1805 -0.1196 0.0434 464 GLU C N ? ? 1 +12671 N N B GLU C 442 0.3970 0.9221 0.9730 0.1805 -0.1196 0.0434 464 GLU C N ? ? 1 +12672 C CA A GLU C 442 0.3756 0.9119 0.9641 0.1700 -0.1146 0.0423 464 GLU C CA ? ? 1 +12673 C CA B GLU C 442 0.3751 0.9114 0.9636 0.1700 -0.1147 0.0423 464 GLU C CA ? ? 1 +12674 C C A GLU C 442 0.3597 0.9182 0.9650 0.1692 -0.1182 0.0383 464 GLU C C ? ? 1 +12675 C C B GLU C 442 0.3594 0.9180 0.9648 0.1692 -0.1183 0.0383 464 GLU C C ? ? 1 +12676 O O A GLU C 442 0.3600 0.9217 0.9637 0.1694 -0.1220 0.0385 464 GLU C O ? ? 1 +12677 O O B GLU C 442 0.3599 0.9218 0.9638 0.1694 -0.1221 0.0384 464 GLU C O ? ? 1 +12678 C CB A GLU C 442 0.3743 0.8996 0.9531 0.1615 -0.1105 0.0462 464 GLU C CB ? ? 1 +12679 C CB B GLU C 442 0.3733 0.8986 0.9521 0.1615 -0.1105 0.0462 464 GLU C CB ? ? 1 +12680 C CG A GLU C 442 0.3549 0.8913 0.9457 0.1509 -0.1057 0.0452 464 GLU C CG ? ? 1 +12681 C CG B GLU C 442 0.3536 0.8899 0.9443 0.1509 -0.1057 0.0452 464 GLU C CG ? ? 1 +12682 C CD A GLU C 442 0.3546 0.8789 0.9363 0.1424 -0.1004 0.0489 464 GLU C CD ? ? 1 +12683 C CD B GLU C 442 0.3532 0.8774 0.9348 0.1424 -0.1004 0.0489 464 GLU C CD ? ? 1 +12684 O OE1 A GLU C 442 0.3695 0.8767 0.9352 0.1443 -0.1003 0.0523 464 GLU C OE1 ? ? 1 +12685 O OE1 B GLU C 442 0.3680 0.8752 0.9336 0.1443 -0.1003 0.0524 464 GLU C OE1 ? ? 1 +12686 O OE2 A GLU C 442 0.3390 0.8708 0.9295 0.1339 -0.0962 0.0482 464 GLU C OE2 ? ? 1 +12687 O OE2 B GLU C 442 0.3369 0.8685 0.9273 0.1340 -0.0961 0.0482 464 GLU C OE2 ? ? 1 +12688 N N . PRO C 443 0.3450 0.9192 0.9667 0.1681 -0.1170 0.0346 465 PRO C N ? ? 1 +12689 C CA . PRO C 443 0.3310 0.9264 0.9692 0.1677 -0.1203 0.0305 465 PRO C CA ? ? 1 +12690 C CB . PRO C 443 0.3170 0.9238 0.9695 0.1643 -0.1160 0.0276 465 PRO C CB ? ? 1 +12691 C CG . PRO C 443 0.3276 0.9205 0.9713 0.1682 -0.1133 0.0292 465 PRO C CG ? ? 1 +12692 C CD . PRO C 443 0.3417 0.9138 0.9666 0.1671 -0.1121 0.0340 465 PRO C CD ? ? 1 +12693 C C . PRO C 443 0.3224 0.9238 0.9630 0.1605 -0.1206 0.0309 465 PRO C C ? ? 1 +12694 O O . PRO C 443 0.3218 0.9328 0.9669 0.1634 -0.1261 0.0289 465 PRO C O ? ? 1 +12695 N N A VAL C 444 0.3170 0.9124 0.9544 0.1513 -0.1149 0.0334 466 VAL C N ? ? 1 +12696 N N B VAL C 444 0.3165 0.9120 0.9540 0.1513 -0.1149 0.0334 466 VAL C N ? ? 1 +12697 C CA A VAL C 444 0.3077 0.9091 0.9484 0.1438 -0.1143 0.0337 466 VAL C CA ? ? 1 +12698 C CA B VAL C 444 0.3069 0.9085 0.9478 0.1438 -0.1144 0.0337 466 VAL C CA ? ? 1 +12699 C C A VAL C 444 0.3186 0.9131 0.9481 0.1466 -0.1189 0.0356 466 VAL C C ? ? 1 +12700 C C B VAL C 444 0.3176 0.9122 0.9472 0.1466 -0.1189 0.0356 466 VAL C C ? ? 1 +12701 O O A VAL C 444 0.3107 0.9144 0.9453 0.1434 -0.1209 0.0344 466 VAL C O ? ? 1 +12702 O O B VAL C 444 0.3094 0.9131 0.9441 0.1434 -0.1209 0.0344 466 VAL C O ? ? 1 +12703 C CB A VAL C 444 0.3009 0.8958 0.9394 0.1341 -0.1072 0.0362 466 VAL C CB ? ? 1 +12704 C CB B VAL C 444 0.3002 0.8956 0.9391 0.1340 -0.1072 0.0361 466 VAL C CB ? ? 1 +12705 C CG1 A VAL C 444 0.2972 0.8899 0.9311 0.1278 -0.1066 0.0382 466 VAL C CG1 ? ? 1 +12706 C CG1 B VAL C 444 0.2943 0.8895 0.9306 0.1271 -0.1063 0.0377 466 VAL C CG1 ? ? 1 +12707 C CG2 A VAL C 444 0.2863 0.8942 0.9398 0.1292 -0.1034 0.0334 466 VAL C CG2 ? ? 1 +12708 C CG2 B VAL C 444 0.2867 0.8943 0.9402 0.1299 -0.1034 0.0333 466 VAL C CG2 ? ? 1 +12709 N N A LEU C 445 0.3378 0.9157 0.9516 0.1528 -0.1204 0.0385 467 LEU C N ? ? 1 +12710 N N B LEU C 445 0.3369 0.9148 0.9506 0.1527 -0.1204 0.0385 467 LEU C N ? ? 1 +12711 C CA A LEU C 445 0.3515 0.9209 0.9526 0.1563 -0.1247 0.0405 467 LEU C CA ? ? 1 +12712 C CA B LEU C 445 0.3506 0.9200 0.9517 0.1562 -0.1247 0.0405 467 LEU C CA ? ? 1 +12713 C C A LEU C 445 0.3570 0.9380 0.9638 0.1638 -0.1327 0.0371 467 LEU C C ? ? 1 +12714 C C B LEU C 445 0.3565 0.9375 0.9633 0.1638 -0.1326 0.0371 467 LEU C C ? ? 1 +12715 O O A LEU C 445 0.3640 0.9421 0.9634 0.1657 -0.1367 0.0379 467 LEU C O ? ? 1 +12716 O O B LEU C 445 0.3636 0.9417 0.9630 0.1657 -0.1367 0.0379 467 LEU C O ? ? 1 +12717 C CB A LEU C 445 0.3700 0.9175 0.9521 0.1611 -0.1239 0.0445 467 LEU C CB ? ? 1 +12718 C CB B LEU C 445 0.3689 0.9164 0.9510 0.1610 -0.1239 0.0445 467 LEU C CB ? ? 1 +12719 C CG A LEU C 445 0.3706 0.9042 0.9443 0.1536 -0.1165 0.0482 467 LEU C CG ? ? 1 +12720 C CG B LEU C 445 0.3695 0.9030 0.9433 0.1535 -0.1164 0.0482 467 LEU C CG ? ? 1 +12721 C CD1 A LEU C 445 0.3908 0.9024 0.9446 0.1580 -0.1161 0.0523 467 LEU C CD1 ? ? 1 +12722 C CD1 B LEU C 445 0.3899 0.9014 0.9440 0.1582 -0.1160 0.0522 467 LEU C CD1 ? ? 1 +12723 C CD2 A LEU C 445 0.3595 0.8969 0.9356 0.1441 -0.1135 0.0492 467 LEU C CD2 ? ? 1 +12724 C CD2 B LEU C 445 0.3595 0.8954 0.9344 0.1441 -0.1132 0.0495 467 LEU C CD2 ? ? 1 +12725 N N . SER C 446 0.3553 0.9494 0.9751 0.1683 -0.1348 0.0333 468 SER C N ? ? 1 +12726 C CA . SER C 446 0.3599 0.9682 0.9885 0.1749 -0.1423 0.0293 468 SER C CA ? ? 1 +12727 C CB . SER C 446 0.3656 0.9784 1.0000 0.1833 -0.1446 0.0267 468 SER C CB ? ? 1 +12728 O OG . SER C 446 0.3864 0.9801 1.0040 0.1899 -0.1448 0.0300 468 SER C OG ? ? 1 +12729 C C . SER C 446 0.3477 0.9762 0.9939 0.1686 -0.1426 0.0255 468 SER C C ? ? 1 +12730 O O . SER C 446 0.3499 0.9912 1.0041 0.1728 -0.1487 0.0220 468 SER C O ? ? 1 +12731 N N . MET C 447 0.3371 0.9686 0.9894 0.1588 -0.1361 0.0261 469 MET C N ? ? 1 +12732 C CA . MET C 447 0.3244 0.9743 0.9935 0.1524 -0.1354 0.0226 469 MET C CA ? ? 1 +12733 C CB . MET C 447 0.3094 0.9621 0.9863 0.1449 -0.1279 0.0227 469 MET C CB ? ? 1 +12734 C CG . MET C 447 0.3091 0.9642 0.9915 0.1495 -0.1267 0.0211 469 MET C CG ? ? 1 +12735 S SD . MET C 447 0.2968 0.9547 0.9875 0.1407 -0.1182 0.0211 469 MET C SD ? ? 1 +12736 C CE . MET C 447 0.3036 0.9593 0.9953 0.1490 -0.1179 0.0199 469 MET C CE ? ? 1 +12737 C C . MET C 447 0.3301 0.9796 0.9955 0.1469 -0.1363 0.0237 469 MET C C ? ? 1 +12738 O O . MET C 447 0.3415 0.9762 0.9929 0.1443 -0.1339 0.0278 469 MET C O ? ? 1 +12739 N N . PRO C 448 0.3274 0.9931 1.0052 0.1444 -0.1392 0.0201 470 PRO C N ? ? 1 +12740 C CA . PRO C 448 0.3269 0.9922 1.0014 0.1388 -0.1397 0.0210 470 PRO C CA ? ? 1 +12741 C CB . PRO C 448 0.3158 1.0013 1.0069 0.1380 -0.1437 0.0158 470 PRO C CB ? ? 1 +12742 C CG . PRO C 448 0.3070 1.0039 1.0124 0.1390 -0.1417 0.0128 470 PRO C CG ? ? 1 +12743 C CD . PRO C 448 0.3192 1.0040 1.0150 0.1465 -0.1418 0.0149 470 PRO C CD ? ? 1 +12744 C C . PRO C 448 0.3197 0.9791 0.9921 0.1292 -0.1320 0.0238 470 PRO C C ? ? 1 +12745 O O . PRO C 448 0.3125 0.9740 0.9913 0.1257 -0.1269 0.0237 470 PRO C O ? ? 1 +12746 N N . SER C 449 0.3273 0.9790 0.9904 0.1250 -0.1313 0.0264 471 SER C N ? ? 1 +12747 C CA . SER C 449 0.3250 0.9716 0.9865 0.1161 -0.1243 0.0289 471 SER C CA ? ? 1 +12748 C CB . SER C 449 0.3314 0.9645 0.9780 0.1139 -0.1235 0.0327 471 SER C CB ? ? 1 +12749 O OG . SER C 449 0.3297 0.9706 0.9797 0.1113 -0.1264 0.0309 471 SER C OG ? ? 1 +12750 C C . SER C 449 0.3137 0.9767 0.9913 0.1094 -0.1227 0.0256 471 SER C C ? ? 1 +12751 O O . SER C 449 0.3170 0.9921 1.0030 0.1108 -0.1273 0.0222 471 SER C O ? ? 1 +12752 N N . LEU C 450 0.3076 0.9705 0.9891 0.1022 -0.1163 0.0266 472 LEU C N ? ? 1 +12753 C CA . LEU C 450 0.2983 0.9753 0.9943 0.0957 -0.1140 0.0238 472 LEU C CA ? ? 1 +12754 C CB . LEU C 450 0.2877 0.9620 0.9861 0.0899 -0.1069 0.0253 472 LEU C CB ? ? 1 +12755 C CG . LEU C 450 0.2871 0.9600 0.9875 0.0938 -0.1053 0.0250 472 LEU C CG ? ? 1 +12756 C CD1 . LEU C 450 0.2797 0.9479 0.9801 0.0877 -0.0985 0.0267 472 LEU C CD1 ? ? 1 +12757 C CD2 . LEU C 450 0.2834 0.9715 0.9978 0.0970 -0.1079 0.0206 472 LEU C CD2 ? ? 1 +12758 C C . LEU C 450 0.3059 0.9857 1.0017 0.0905 -0.1147 0.0236 472 LEU C C ? ? 1 +12759 O O . LEU C 450 0.3060 0.9977 1.0133 0.0856 -0.1139 0.0210 472 LEU C O ? ? 1 +12760 N N . ASP C 451 0.3223 0.9907 1.0046 0.0915 -0.1161 0.0265 473 ASP C N ? ? 1 +12761 C CA . ASP C 451 0.3274 0.9971 1.0081 0.0868 -0.1166 0.0266 473 ASP C CA ? ? 1 +12762 C CB . ASP C 451 0.3103 0.9802 0.9944 0.0780 -0.1101 0.0277 473 ASP C CB ? ? 1 +12763 C CG . ASP C 451 0.3040 0.9615 0.9802 0.0756 -0.1043 0.0316 473 ASP C CG ? ? 1 +12764 O OD1 . ASP C 451 0.3048 0.9520 0.9718 0.0807 -0.1048 0.0337 473 ASP C OD1 ? ? 1 +12765 O OD2 . ASP C 451 0.2880 0.9461 0.9671 0.0688 -0.0994 0.0324 473 ASP C OD2 ? ? 1 +12766 C C . ASP C 451 0.3641 1.0201 1.0285 0.0900 -0.1187 0.0297 473 ASP C C ? ? 1 +12767 O O . ASP C 451 0.3901 1.0431 1.0495 0.0864 -0.1183 0.0307 473 ASP C O ? ? 1 +12768 O OXT . ASP C 451 0.3954 1.0426 1.0511 0.0964 -0.1207 0.0312 473 ASP C OXT ? ? 1 +12769 N N . GLU D 1 1.2548 1.4611 1.7319 -0.2063 0.1819 0.0944 11 GLU D N ? ? 1 +12770 C CA . GLU D 1 1.2346 1.4584 1.7331 -0.2131 0.1791 0.0885 11 GLU D CA ? ? 1 +12771 C CB . GLU D 1 1.1997 1.4515 1.7187 -0.2132 0.1767 0.0855 11 GLU D CB ? ? 1 +12772 C CG . GLU D 1 1.1791 1.4364 1.7041 -0.2208 0.1864 0.0856 11 GLU D CG ? ? 1 +12773 C CD . GLU D 1 1.1396 1.4241 1.6844 -0.2203 0.1838 0.0826 11 GLU D CD ? ? 1 +12774 O OE1 . GLU D 1 1.1178 1.4145 1.6674 -0.2120 0.1747 0.0819 11 GLU D OE1 ? ? 1 +12775 O OE2 . GLU D 1 1.0986 1.3921 1.6542 -0.2282 0.1910 0.0809 11 GLU D OE2 ? ? 1 +12776 C C . GLU D 1 1.2081 1.4301 1.7061 -0.2079 0.1698 0.0867 11 GLU D C ? ? 1 +12777 O O . GLU D 1 1.2092 1.4398 1.7081 -0.1985 0.1614 0.0870 11 GLU D O ? ? 1 +12778 N N . ARG D 2 1.1887 1.3991 1.6848 -0.2143 0.1716 0.0849 12 ARG D N ? ? 1 +12779 C CA . ARG D 2 1.1350 1.3434 1.6315 -0.2107 0.1636 0.0827 12 ARG D CA ? ? 1 +12780 C CB . ARG D 2 1.1930 1.3729 1.6663 -0.2070 0.1646 0.0865 12 ARG D CB ? ? 1 +12781 C CG . ARG D 2 1.2243 1.3932 1.6794 -0.1961 0.1633 0.0921 12 ARG D CG ? ? 1 +12782 C CD . ARG D 2 1.2345 1.4175 1.6941 -0.1850 0.1529 0.0917 12 ARG D CD ? ? 1 +12783 N NE . ARG D 2 1.2811 1.4661 1.7452 -0.1828 0.1455 0.0886 12 ARG D NE ? ? 1 +12784 C CZ . ARG D 2 1.3217 1.4867 1.7719 -0.1808 0.1447 0.0897 12 ARG D CZ ? ? 1 +12785 N NH1 . ARG D 2 1.3653 1.5059 1.7953 -0.1803 0.1503 0.0939 12 ARG D NH1 ? ? 1 +12786 N NH2 . ARG D 2 1.2883 1.4575 1.7446 -0.1791 0.1380 0.0863 12 ARG D NH2 ? ? 1 +12787 C C . ARG D 2 1.0325 1.2519 1.5469 -0.2209 0.1639 0.0769 12 ARG D C ? ? 1 +12788 O O . ARG D 2 1.0208 1.2259 1.5304 -0.2270 0.1669 0.0758 12 ARG D O ? ? 1 +12789 N N . GLY D 3 0.9300 1.1750 1.4650 -0.2225 0.1609 0.0732 13 GLY D N ? ? 1 +12790 C CA . GLY D 3 0.8720 1.1310 1.4259 -0.2310 0.1597 0.0672 13 GLY D CA ? ? 1 +12791 C C . GLY D 3 0.8157 1.0807 1.3744 -0.2260 0.1497 0.0642 13 GLY D C ? ? 1 +12792 O O . GLY D 3 0.8112 1.0689 1.3586 -0.2162 0.1440 0.0667 13 GLY D O ? ? 1 +12793 N N . TRP D 4 0.7608 1.0398 1.3369 -0.2329 0.1476 0.0586 14 TRP D N ? ? 1 +12794 C CA . TRP D 4 0.7224 1.0063 1.3037 -0.2300 0.1389 0.0551 14 TRP D CA ? ? 1 +12795 C CB . TRP D 4 0.7098 1.0104 1.3116 -0.2393 0.1382 0.0487 14 TRP D CB ? ? 1 +12796 C CG . TRP D 4 0.6909 1.0173 1.3113 -0.2398 0.1367 0.0465 14 TRP D CG ? ? 1 +12797 C CD1 . TRP D 4 0.6942 1.0299 1.3245 -0.2469 0.1436 0.0457 14 TRP D CD1 ? ? 1 +12798 N NE1 . TRP D 4 0.6764 1.0362 1.3229 -0.2444 0.1394 0.0434 14 TRP D NE1 ? ? 1 +12799 C CE2 . TRP D 4 0.6578 1.0240 1.3050 -0.2359 0.1298 0.0427 14 TRP D CE2 ? ? 1 +12800 C CZ2 . TRP D 4 0.6376 1.0252 1.2978 -0.2306 0.1228 0.0406 14 TRP D CZ2 ? ? 1 +12801 C CH2 . TRP D 4 0.6247 1.0131 1.2816 -0.2225 0.1141 0.0403 14 TRP D CH2 ? ? 1 +12802 C CZ3 . TRP D 4 0.6342 1.0035 1.2761 -0.2195 0.1122 0.0419 14 TRP D CZ3 ? ? 1 +12803 C CE3 . TRP D 4 0.6551 1.0032 1.2842 -0.2244 0.1189 0.0440 14 TRP D CE3 ? ? 1 +12804 C CD2 . TRP D 4 0.6665 1.0125 1.2979 -0.2329 0.1279 0.0444 14 TRP D CD2 ? ? 1 +12805 C C . TRP D 4 0.6799 0.9753 1.2622 -0.2184 0.1302 0.0561 14 TRP D C ? ? 1 +12806 O O . TRP D 4 0.6699 0.9610 1.2474 -0.2126 0.1236 0.0556 14 TRP D O ? ? 1 +12807 N N . PHE D 5 0.6445 0.9546 1.2334 -0.2154 0.1305 0.0574 15 PHE D N ? ? 1 +12808 C CA . PHE D 5 0.6129 0.9352 1.2040 -0.2051 0.1228 0.0582 15 PHE D CA ? ? 1 +12809 C CB . PHE D 5 0.5934 0.9327 1.1940 -0.2041 0.1245 0.0589 15 PHE D CB ? ? 1 +12810 C CG . PHE D 5 0.5711 0.9229 1.1740 -0.1938 0.1167 0.0596 15 PHE D CG ? ? 1 +12811 C CD1 . PHE D 5 0.5715 0.9135 1.1594 -0.1849 0.1155 0.0644 15 PHE D CD1 ? ? 1 +12812 C CD2 . PHE D 5 0.5486 0.9211 1.1681 -0.1931 0.1104 0.0555 15 PHE D CD2 ? ? 1 +12813 C CE1 . PHE D 5 0.5516 0.9051 1.1421 -0.1758 0.1084 0.0648 15 PHE D CE1 ? ? 1 +12814 C CE2 . PHE D 5 0.5312 0.9142 1.1523 -0.1839 0.1035 0.0562 15 PHE D CE2 ? ? 1 +12815 C CZ . PHE D 5 0.5318 0.9053 1.1386 -0.1755 0.1026 0.0608 15 PHE D CZ ? ? 1 +12816 C C . PHE D 5 0.6189 0.9241 1.1905 -0.1954 0.1204 0.0629 15 PHE D C ? ? 1 +12817 O O . PHE D 5 0.6064 0.9145 1.1770 -0.1878 0.1128 0.0625 15 PHE D O ? ? 1 +12818 N N . ASP D 6 0.6334 0.9208 1.1896 -0.1957 0.1271 0.0673 16 ASP D N ? ? 1 +12819 C CA . ASP D 6 0.6390 0.9092 1.1758 -0.1865 0.1253 0.0720 16 ASP D CA ? ? 1 +12820 C CB . ASP D 6 0.6579 0.9133 1.1806 -0.1874 0.1334 0.0767 16 ASP D CB ? ? 1 +12821 C CG . ASP D 6 0.6476 0.9184 1.1784 -0.1873 0.1358 0.0775 16 ASP D CG ? ? 1 +12822 O OD1 . ASP D 6 0.6320 0.9149 1.1662 -0.1794 0.1298 0.0779 16 ASP D OD1 ? ? 1 +12823 O OD2 . ASP D 6 0.6614 0.9323 1.1956 -0.1953 0.1437 0.0774 16 ASP D OD2 ? ? 1 +12824 C C . ASP D 6 0.6459 0.8997 1.1728 -0.1852 0.1226 0.0715 16 ASP D C ? ? 1 +12825 O O . ASP D 6 0.6429 0.8918 1.1612 -0.1759 0.1167 0.0731 16 ASP D O ? ? 1 +12826 N N . ILE D 7 0.6525 0.8984 1.1810 -0.1946 0.1270 0.0691 17 ILE D N ? ? 1 +12827 C CA . ILE D 7 0.6597 0.8911 1.1806 -0.1946 0.1246 0.0678 17 ILE D CA ? ? 1 +12828 C CB . ILE D 7 0.6780 0.9012 1.2018 -0.2069 0.1309 0.0651 17 ILE D CB ? ? 1 +12829 C CG1 . ILE D 7 0.7017 0.9097 1.2150 -0.2127 0.1412 0.0686 17 ILE D CG1 ? ? 1 +12830 C CG2 . ILE D 7 0.6895 0.8976 1.2056 -0.2070 0.1282 0.0635 17 ILE D CG2 ? ? 1 +12831 C CD1 . ILE D 7 0.7184 0.9062 1.2096 -0.2048 0.1431 0.0747 17 ILE D CD1 ? ? 1 +12832 C C . ILE D 7 0.6327 0.8784 1.1638 -0.1896 0.1151 0.0643 17 ILE D C ? ? 1 +12833 O O . ILE D 7 0.6321 0.8677 1.1537 -0.1831 0.1104 0.0649 17 ILE D O ? ? 1 +12834 N N . LEU D 8 0.6078 0.8767 1.1583 -0.1927 0.1125 0.0604 18 LEU D N ? ? 1 +12835 C CA . LEU D 8 0.5867 0.8701 1.1476 -0.1887 0.1039 0.0568 18 LEU D CA ? ? 1 +12836 C CB . LEU D 8 0.5667 0.8739 1.1491 -0.1946 0.1027 0.0523 18 LEU D CB ? ? 1 +12837 C CG . LEU D 8 0.5496 0.8733 1.1434 -0.1904 0.0940 0.0486 18 LEU D CG ? ? 1 +12838 C CD1 . LEU D 8 0.5573 0.8710 1.1462 -0.1900 0.0902 0.0464 18 LEU D CD1 ? ? 1 +12839 C CD2 . LEU D 8 0.5383 0.8836 1.1522 -0.1968 0.0934 0.0441 18 LEU D CD2 ? ? 1 +12840 C C . LEU D 8 0.5765 0.8630 1.1314 -0.1765 0.0980 0.0597 18 LEU D C ? ? 1 +12841 O O . LEU D 8 0.5697 0.8551 1.1222 -0.1706 0.0917 0.0588 18 LEU D O ? ? 1 +12842 N N . ASP D 9 0.5734 0.8634 1.1258 -0.1731 0.1003 0.0632 19 ASP D N ? ? 1 +12843 C CA . ASP D 9 0.5651 0.8579 1.1116 -0.1621 0.0952 0.0661 19 ASP D CA ? ? 1 +12844 C CB . ASP D 9 0.5633 0.8600 1.1081 -0.1606 0.0991 0.0695 19 ASP D CB ? ? 1 +12845 C CG . ASP D 9 0.5517 0.8550 1.0934 -0.1499 0.0935 0.0718 19 ASP D CG ? ? 1 +12846 O OD1 . ASP D 9 0.5272 0.8497 1.0821 -0.1476 0.0884 0.0694 19 ASP D OD1 ? ? 1 +12847 O OD2 . ASP D 9 0.5669 0.8559 1.0929 -0.1438 0.0942 0.0759 19 ASP D OD2 ? ? 1 +12848 C C . ASP D 9 0.5817 0.8539 1.1100 -0.1554 0.0936 0.0690 19 ASP D C ? ? 1 +12849 O O . ASP D 9 0.5716 0.8467 1.0981 -0.1469 0.0870 0.0691 19 ASP D O ? ? 1 +12850 N N . ASP D 10 0.6056 0.8570 1.1206 -0.1592 0.0999 0.0712 20 ASP D N ? ? 1 +12851 C CA . ASP D 10 0.6240 0.8540 1.1209 -0.1535 0.0990 0.0739 20 ASP D CA ? ? 1 +12852 C CB . ASP D 10 0.6555 0.8629 1.1389 -0.1597 0.1071 0.0761 20 ASP D CB ? ? 1 +12853 C CG . ASP D 10 0.6728 0.8714 1.1454 -0.1589 0.1130 0.0808 20 ASP D CG ? ? 1 +12854 O OD1 . ASP D 10 0.6653 0.8745 1.1394 -0.1526 0.1105 0.0827 20 ASP D OD1 ? ? 1 +12855 O OD2 . ASP D 10 0.7015 0.8824 1.1637 -0.1648 0.1204 0.0826 20 ASP D OD2 ? ? 1 +12856 C C . ASP D 10 0.6131 0.8434 1.1128 -0.1514 0.0930 0.0705 20 ASP D C ? ? 1 +12857 O O . ASP D 10 0.6112 0.8385 1.1042 -0.1421 0.0875 0.0716 20 ASP D O ? ? 1 +12858 N N . TRP D 11 0.6042 0.8384 1.1140 -0.1601 0.0940 0.0662 21 TRP D N ? ? 1 +12859 C CA . TRP D 11 0.5972 0.8310 1.1094 -0.1589 0.0887 0.0628 21 TRP D CA ? ? 1 +12860 C CB . TRP D 11 0.5946 0.8322 1.1179 -0.1700 0.0907 0.0580 21 TRP D CB ? ? 1 +12861 C CG . TRP D 11 0.5934 0.8252 1.1151 -0.1690 0.0862 0.0548 21 TRP D CG ? ? 1 +12862 C CD1 . TRP D 11 0.6124 0.8222 1.1201 -0.1693 0.0880 0.0555 21 TRP D CD1 ? ? 1 +12863 N NE1 . TRP D 11 0.6080 0.8192 1.1184 -0.1675 0.0824 0.0519 21 TRP D NE1 ? ? 1 +12864 C CE2 . TRP D 11 0.5837 0.8180 1.1098 -0.1659 0.0770 0.0490 21 TRP D CE2 ? ? 1 +12865 C CZ2 . TRP D 11 0.5709 0.8148 1.1047 -0.1637 0.0705 0.0450 21 TRP D CZ2 ? ? 1 +12866 C CH2 . TRP D 11 0.5476 0.8145 1.0965 -0.1623 0.0661 0.0429 21 TRP D CH2 ? ? 1 +12867 C CZ3 . TRP D 11 0.5368 0.8172 1.0934 -0.1629 0.0680 0.0446 21 TRP D CZ3 ? ? 1 +12868 C CE3 . TRP D 11 0.5495 0.8206 1.0986 -0.1651 0.0744 0.0485 21 TRP D CE3 ? ? 1 +12869 C CD2 . TRP D 11 0.5735 0.8210 1.1070 -0.1666 0.0791 0.0508 21 TRP D CD2 ? ? 1 +12870 C C . TRP D 11 0.5771 0.8288 1.0982 -0.1509 0.0805 0.0613 21 TRP D C ? ? 1 +12871 O O . TRP D 11 0.5773 0.8236 1.0921 -0.1438 0.0757 0.0613 21 TRP D O ? ? 1 +12872 N N . LEU D 12 0.5606 0.8332 1.0962 -0.1522 0.0793 0.0600 22 LEU D N ? ? 1 +12873 C CA . LEU D 12 0.5410 0.8320 1.0869 -0.1461 0.0721 0.0582 22 LEU D CA ? ? 1 +12874 C CB . LEU D 12 0.5229 0.8350 1.0847 -0.1500 0.0726 0.0567 22 LEU D CB ? ? 1 +12875 C CG . LEU D 12 0.5166 0.8390 1.0930 -0.1601 0.0742 0.0521 22 LEU D CG ? ? 1 +12876 C CD1 . LEU D 12 0.5011 0.8431 1.0914 -0.1625 0.0749 0.0513 22 LEU D CD1 ? ? 1 +12877 C CD2 . LEU D 12 0.5082 0.8369 1.0916 -0.1598 0.0682 0.0477 22 LEU D CD2 ? ? 1 +12878 C C . LEU D 12 0.5439 0.8320 1.0803 -0.1346 0.0682 0.0616 22 LEU D C ? ? 1 +12879 O O . LEU D 12 0.5294 0.8264 1.0699 -0.1286 0.0619 0.0601 22 LEU D O ? ? 1 +12880 N N . LYS D 13 0.5637 0.8394 1.0872 -0.1318 0.0719 0.0661 23 LYS D N ? ? 1 +12881 C CA . LYS D 13 0.5700 0.8428 1.0842 -0.1211 0.0685 0.0695 23 LYS D CA ? ? 1 +12882 C CB . LYS D 13 0.5728 0.8486 1.0850 -0.1204 0.0719 0.0729 23 LYS D CB ? ? 1 +12883 C CG . LYS D 13 0.5563 0.8548 1.0852 -0.1228 0.0706 0.0709 23 LYS D CG ? ? 1 +12884 C CD . LYS D 13 0.5630 0.8632 1.0897 -0.1233 0.0749 0.0739 23 LYS D CD ? ? 1 +12885 C CE . LYS D 13 0.5457 0.8683 1.0887 -0.1252 0.0735 0.0719 23 LYS D CE ? ? 1 +12886 N NZ . LYS D 13 0.5528 0.8761 1.0933 -0.1263 0.0783 0.0747 23 LYS D NZ ? ? 1 +12887 C C . LYS D 13 0.5916 0.8423 1.0880 -0.1159 0.0686 0.0720 23 LYS D C ? ? 1 +12888 O O . LYS D 13 0.5937 0.8390 1.0802 -0.1074 0.0667 0.0752 23 LYS D O ? ? 1 +12889 N N . ARG D 14 0.6081 0.8460 1.1004 -0.1207 0.0705 0.0702 24 ARG D N ? ? 1 +12890 C CA . ARG D 14 0.6330 0.8504 1.1091 -0.1154 0.0699 0.0720 24 ARG D CA ? ? 1 +12891 C CB . ARG D 14 0.6609 0.8660 1.1349 -0.1224 0.0723 0.0694 24 ARG D CB ? ? 1 +12892 C CG . ARG D 14 0.6963 0.8894 1.1657 -0.1319 0.0802 0.0704 24 ARG D CG ? ? 1 +12893 C CD . ARG D 14 0.7385 0.9051 1.1872 -0.1292 0.0838 0.0742 24 ARG D CD ? ? 1 +12894 N NE . ARG D 14 0.7649 0.9177 1.2073 -0.1297 0.0828 0.0722 24 ARG D NE ? ? 1 +12895 C CZ . ARG D 14 0.7881 0.9331 1.2318 -0.1394 0.0868 0.0696 24 ARG D CZ ? ? 1 +12896 N NH1 . ARG D 14 0.7926 0.9421 1.2438 -0.1496 0.0924 0.0688 24 ARG D NH1 ? ? 1 +12897 N NH2 . ARG D 14 0.8081 0.9403 1.2453 -0.1389 0.0852 0.0678 24 ARG D NH2 ? ? 1 +12898 C C . ARG D 14 0.6166 0.8400 1.0929 -0.1050 0.0624 0.0715 24 ARG D C ? ? 1 +12899 O O . ARG D 14 0.5978 0.8387 1.0874 -0.1044 0.0579 0.0683 24 ARG D O ? ? 1 +12900 N N . ASP D 15 0.6227 0.8312 1.0837 -0.0967 0.0614 0.0747 25 ASP D N ? ? 1 +12901 C CA . ASP D 15 0.6135 0.8255 1.0731 -0.0865 0.0549 0.0745 25 ASP D CA ? ? 1 +12902 C CB . ASP D 15 0.6283 0.8270 1.0720 -0.0775 0.0546 0.0790 25 ASP D CB ? ? 1 +12903 C CG . ASP D 15 0.6185 0.8255 1.0629 -0.0664 0.0479 0.0793 25 ASP D CG ? ? 1 +12904 O OD1 . ASP D 15 0.5969 0.8235 1.0554 -0.0657 0.0439 0.0767 25 ASP D OD1 ? ? 1 +12905 O OD2 . ASP D 15 0.6350 0.8284 1.0656 -0.0584 0.0466 0.0819 25 ASP D OD2 ? ? 1 +12906 C C . ASP D 15 0.6147 0.8191 1.0729 -0.0871 0.0531 0.0715 25 ASP D C ? ? 1 +12907 O O . ASP D 15 0.6396 0.8237 1.0839 -0.0861 0.0552 0.0728 25 ASP D O ? ? 1 +12908 N N . ARG D 16 0.5917 0.8120 1.0639 -0.0890 0.0495 0.0674 26 ARG D N ? ? 1 +12909 C CA . ARG D 16 0.5915 0.8065 1.0636 -0.0900 0.0476 0.0640 26 ARG D CA ? ? 1 +12910 C CB . ARG D 16 0.5890 0.8086 1.0712 -0.1014 0.0502 0.0603 26 ARG D CB ? ? 1 +12911 C CG . ARG D 16 0.5688 0.8093 1.0668 -0.1067 0.0505 0.0590 26 ARG D CG ? ? 1 +12912 C CD . ARG D 16 0.5659 0.8114 1.0742 -0.1173 0.0522 0.0548 26 ARG D CD ? ? 1 +12913 N NE . ARG D 16 0.5807 0.8108 1.0824 -0.1254 0.0587 0.0556 26 ARG D NE ? ? 1 +12914 C CZ . ARG D 16 0.5789 0.8135 1.0861 -0.1330 0.0635 0.0561 26 ARG D CZ ? ? 1 +12915 N NH1 . ARG D 16 0.5634 0.8157 1.0809 -0.1326 0.0628 0.0566 26 ARG D NH1 ? ? 1 +12916 N NH2 . ARG D 16 0.5972 0.8178 1.0992 -0.1412 0.0693 0.0561 26 ARG D NH2 ? ? 1 +12917 C C . ARG D 16 0.5742 0.8030 1.0533 -0.0822 0.0410 0.0621 26 ARG D C ? ? 1 +12918 O O . ARG D 16 0.5609 0.8024 1.0447 -0.0769 0.0383 0.0635 26 ARG D O ? ? 1 +12919 N N . PHE D 17 0.5750 0.8005 1.0541 -0.0815 0.0385 0.0590 27 PHE D N ? ? 1 +12920 C CA . PHE D 17 0.5614 0.7981 1.0459 -0.0740 0.0327 0.0572 27 PHE D CA ? ? 1 +12921 C CB . PHE D 17 0.5748 0.8040 1.0572 -0.0747 0.0312 0.0537 27 PHE D CB ? ? 1 +12922 C CG . PHE D 17 0.5724 0.8099 1.0578 -0.0662 0.0258 0.0521 27 PHE D CG ? ? 1 +12923 C CD1 . PHE D 17 0.5862 0.8145 1.0612 -0.0564 0.0240 0.0542 27 PHE D CD1 ? ? 1 +12924 C CD2 . PHE D 17 0.5607 0.8153 1.0592 -0.0679 0.0226 0.0485 27 PHE D CD2 ? ? 1 +12925 C CE1 . PHE D 17 0.5827 0.8192 1.0611 -0.0488 0.0194 0.0526 27 PHE D CE1 ? ? 1 +12926 C CE2 . PHE D 17 0.5567 0.8187 1.0577 -0.0603 0.0181 0.0471 27 PHE D CE2 ? ? 1 +12927 C CZ . PHE D 17 0.5671 0.8203 1.0583 -0.0509 0.0167 0.0491 27 PHE D CZ ? ? 1 +12928 C C . PHE D 17 0.5298 0.7904 1.0307 -0.0755 0.0299 0.0553 27 PHE D C ? ? 1 +12929 O O . PHE D 17 0.5223 0.7941 1.0270 -0.0683 0.0260 0.0558 27 PHE D O ? ? 1 +12930 N N . VAL D 18 0.5160 0.7842 1.0266 -0.0849 0.0319 0.0530 28 VAL D N ? ? 1 +12931 C CA . VAL D 18 0.4878 0.7774 1.0134 -0.0875 0.0302 0.0515 28 VAL D CA ? ? 1 +12932 C CB . VAL D 18 0.4807 0.7798 1.0170 -0.0927 0.0280 0.0466 28 VAL D CB ? ? 1 +12933 C CG1 . VAL D 18 0.4599 0.7813 1.0109 -0.0934 0.0253 0.0452 28 VAL D CG1 ? ? 1 +12934 C CG2 . VAL D 18 0.4866 0.7797 1.0182 -0.0875 0.0245 0.0446 28 VAL D CG2 ? ? 1 +12935 C C . VAL D 18 0.4825 0.7735 1.0102 -0.0939 0.0348 0.0534 28 VAL D C ? ? 1 +12936 O O . VAL D 18 0.4944 0.7791 1.0224 -0.1023 0.0388 0.0524 28 VAL D O ? ? 1 +12937 N N . PHE D 19 0.4671 0.7661 0.9961 -0.0898 0.0345 0.0562 29 PHE D N ? ? 1 +12938 C CA . PHE D 19 0.4602 0.7631 0.9923 -0.0951 0.0386 0.0580 29 PHE D CA ? ? 1 +12939 C CB . PHE D 19 0.4512 0.7609 0.9822 -0.0882 0.0373 0.0613 29 PHE D CB ? ? 1 +12940 C CG . PHE D 19 0.4471 0.7625 0.9819 -0.0929 0.0412 0.0630 29 PHE D CG ? ? 1 +12941 C CD1 . PHE D 19 0.4289 0.7635 0.9782 -0.0963 0.0402 0.0610 29 PHE D CD1 ? ? 1 +12942 C CD2 . PHE D 19 0.4633 0.7643 0.9867 -0.0941 0.0462 0.0665 29 PHE D CD2 ? ? 1 +12943 C CE1 . PHE D 19 0.4269 0.7667 0.9797 -0.1005 0.0440 0.0625 29 PHE D CE1 ? ? 1 +12944 C CE2 . PHE D 19 0.4605 0.7665 0.9872 -0.0986 0.0503 0.0680 29 PHE D CE2 ? ? 1 +12945 C CZ . PHE D 19 0.4421 0.7676 0.9836 -0.1016 0.0491 0.0660 29 PHE D CZ ? ? 1 +12946 C C . PHE D 19 0.4437 0.7628 0.9914 -0.1028 0.0386 0.0545 29 PHE D C ? ? 1 +12947 O O . PHE D 19 0.4281 0.7617 0.9856 -0.1009 0.0342 0.0519 29 PHE D O ? ? 1 +12948 N N . VAL D 20 0.4475 0.7637 0.9971 -0.1114 0.0437 0.0544 30 VAL D N ? ? 1 +12949 C CA . VAL D 20 0.4325 0.7636 0.9969 -0.1192 0.0442 0.0510 30 VAL D CA ? ? 1 +12950 C CB . VAL D 20 0.4481 0.7687 1.0115 -0.1289 0.0488 0.0491 30 VAL D CB ? ? 1 +12951 C CG1 . VAL D 20 0.4372 0.7736 1.0166 -0.1370 0.0488 0.0451 30 VAL D CG1 ? ? 1 +12952 C CG2 . VAL D 20 0.4612 0.7673 1.0162 -0.1278 0.0472 0.0476 30 VAL D CG2 ? ? 1 +12953 C C . VAL D 20 0.4172 0.7616 0.9890 -0.1199 0.0457 0.0526 30 VAL D C ? ? 1 +12954 O O . VAL D 20 0.3998 0.7613 0.9820 -0.1177 0.0419 0.0512 30 VAL D O ? ? 1 +12955 N N . GLY D 21 0.4253 0.7613 0.9909 -0.1229 0.0513 0.0556 31 GLY D N ? ? 1 +12956 C CA . GLY D 21 0.4146 0.7621 0.9869 -0.1247 0.0536 0.0569 31 GLY D CA ? ? 1 +12957 C C . GLY D 21 0.4025 0.7647 0.9904 -0.1331 0.0549 0.0534 31 GLY D C ? ? 1 +12958 O O . GLY D 21 0.4001 0.7658 0.9949 -0.1374 0.0532 0.0495 31 GLY D O ? ? 1 +12959 N N . TRP D 22 0.3944 0.7652 0.9875 -0.1353 0.0581 0.0546 32 TRP D N ? ? 1 +12960 C CA . TRP D 22 0.3798 0.7677 0.9888 -0.1415 0.0585 0.0515 32 TRP D CA ? ? 1 +12961 C CB . TRP D 22 0.3762 0.7703 0.9874 -0.1425 0.0626 0.0538 32 TRP D CB ? ? 1 +12962 C CG . TRP D 22 0.3935 0.7739 0.9972 -0.1483 0.0702 0.0559 32 TRP D CG ? ? 1 +12963 C CD1 . TRP D 22 0.4071 0.7724 0.9961 -0.1452 0.0738 0.0603 32 TRP D CD1 ? ? 1 +12964 N NE1 . TRP D 22 0.4217 0.7772 1.0073 -0.1528 0.0812 0.0611 32 TRP D NE1 ? ? 1 +12965 C CE2 . TRP D 22 0.4172 0.7823 1.0164 -0.1612 0.0823 0.0569 32 TRP D CE2 ? ? 1 +12966 C CZ2 . TRP D 22 0.4274 0.7888 1.0298 -0.1709 0.0889 0.0557 32 TRP D CZ2 ? ? 1 +12967 C CH2 . TRP D 22 0.4192 0.7936 1.0371 -0.1778 0.0880 0.0508 32 TRP D CH2 ? ? 1 +12968 C CZ3 . TRP D 22 0.4014 0.7915 1.0306 -0.1749 0.0807 0.0474 32 TRP D CZ3 ? ? 1 +12969 C CE3 . TRP D 22 0.3917 0.7849 1.0172 -0.1654 0.0745 0.0488 32 TRP D CE3 ? ? 1 +12970 C CD2 . TRP D 22 0.3995 0.7804 1.0101 -0.1584 0.0753 0.0535 32 TRP D CD2 ? ? 1 +12971 C C . TRP D 22 0.3593 0.7640 0.9794 -0.1380 0.0517 0.0484 32 TRP D C ? ? 1 +12972 O O . TRP D 22 0.3523 0.7672 0.9839 -0.1432 0.0503 0.0445 32 TRP D O ? ? 1 +12973 N N . SER D 23 0.3497 0.7566 0.9656 -0.1292 0.0474 0.0503 33 SER D N ? ? 1 +12974 C CA . SER D 23 0.3313 0.7526 0.9558 -0.1250 0.0411 0.0479 33 SER D CA ? ? 1 +12975 C CB . SER D 23 0.3271 0.7480 0.9449 -0.1154 0.0376 0.0507 33 SER D CB ? ? 1 +12976 O OG . SER D 23 0.3386 0.7446 0.9445 -0.1109 0.0364 0.0519 33 SER D OG ? ? 1 +12977 C C . SER D 23 0.3311 0.7506 0.9580 -0.1271 0.0380 0.0442 33 SER D C ? ? 1 +12978 O O . SER D 23 0.3178 0.7506 0.9550 -0.1273 0.0339 0.0410 33 SER D O ? ? 1 +12979 N N . GLY D 24 0.3465 0.7490 0.9632 -0.1283 0.0399 0.0447 34 GLY D N ? ? 1 +12980 C CA . GLY D 24 0.3503 0.7485 0.9668 -0.1293 0.0369 0.0415 34 GLY D CA ? ? 1 +12981 C C . GLY D 24 0.3484 0.7548 0.9765 -0.1377 0.0369 0.0370 34 GLY D C ? ? 1 +12982 O O . GLY D 24 0.3446 0.7542 0.9764 -0.1376 0.0328 0.0336 34 GLY D O ? ? 1 +12983 N N . ILE D 25 0.3517 0.7612 0.9853 -0.1447 0.0417 0.0369 35 ILE D N ? ? 1 +12984 C CA . ILE D 25 0.3489 0.7679 0.9950 -0.1529 0.0419 0.0325 35 ILE D CA ? ? 1 +12985 C CB . ILE D 25 0.3554 0.7751 1.0052 -0.1599 0.0484 0.0335 35 ILE D CB ? ? 1 +12986 C CG1 . ILE D 25 0.3774 0.7762 1.0146 -0.1636 0.0542 0.0355 35 ILE D CG1 ? ? 1 +12987 C CG2 . ILE D 25 0.3481 0.7825 1.0139 -0.1678 0.0483 0.0288 35 ILE D CG2 ? ? 1 +12988 C CD1 . ILE D 25 0.3850 0.7800 1.0195 -0.1668 0.0611 0.0387 35 ILE D CD1 ? ? 1 +12989 C C . ILE D 25 0.3302 0.7684 0.9888 -0.1507 0.0362 0.0296 35 ILE D C ? ? 1 +12990 O O . ILE D 25 0.3273 0.7710 0.9931 -0.1542 0.0333 0.0254 35 ILE D O ? ? 1 +12991 N N . LEU D 26 0.3187 0.7666 0.9792 -0.1447 0.0346 0.0318 36 LEU D N ? ? 1 +12992 C CA . LEU D 26 0.3025 0.7668 0.9726 -0.1413 0.0290 0.0297 36 LEU D CA ? ? 1 +12993 C CB . LEU D 26 0.2917 0.7669 0.9659 -0.1380 0.0298 0.0322 36 LEU D CB ? ? 1 +12994 C CG . LEU D 26 0.2748 0.7671 0.9588 -0.1345 0.0246 0.0303 36 LEU D CG ? ? 1 +12995 C CD1 . LEU D 26 0.2707 0.7750 0.9680 -0.1411 0.0237 0.0259 36 LEU D CD1 ? ? 1 +12996 C CD2 . LEU D 26 0.2657 0.7655 0.9506 -0.1302 0.0252 0.0333 36 LEU D CD2 ? ? 1 +12997 C C . LEU D 26 0.2993 0.7610 0.9641 -0.1343 0.0237 0.0294 36 LEU D C ? ? 1 +12998 O O . LEU D 26 0.2913 0.7611 0.9624 -0.1343 0.0193 0.0260 36 LEU D O ? ? 1 +12999 N N . LEU D 27 0.3061 0.7570 0.9592 -0.1281 0.0241 0.0329 37 LEU D N ? ? 1 +13000 C CA . LEU D 27 0.3033 0.7531 0.9519 -0.1208 0.0194 0.0329 37 LEU D CA ? ? 1 +13001 C CB . LEU D 27 0.3099 0.7484 0.9462 -0.1143 0.0206 0.0371 37 LEU D CB ? ? 1 +13002 C CG . LEU D 27 0.3100 0.7433 0.9395 -0.1070 0.0167 0.0372 37 LEU D CG ? ? 1 +13003 C CD1 . LEU D 27 0.2936 0.7417 0.9305 -0.1024 0.0119 0.0359 37 LEU D CD1 ? ? 1 +13004 C CD2 . LEU D 27 0.3184 0.7403 0.9364 -0.1014 0.0182 0.0411 37 LEU D CD2 ? ? 1 +13005 C C . LEU D 27 0.3128 0.7558 0.9591 -0.1222 0.0170 0.0297 37 LEU D C ? ? 1 +13006 O O . LEU D 27 0.3037 0.7543 0.9542 -0.1197 0.0124 0.0272 37 LEU D O ? ? 1 +13007 N N . PHE D 28 0.3327 0.7607 0.9717 -0.1263 0.0203 0.0297 38 PHE D N ? ? 1 +13008 C CA . PHE D 28 0.3447 0.7628 0.9786 -0.1266 0.0184 0.0272 38 PHE D CA ? ? 1 +13009 C CB . PHE D 28 0.3669 0.7657 0.9898 -0.1297 0.0230 0.0287 38 PHE D CB ? ? 1 +13010 C CG . PHE D 28 0.3774 0.7648 0.9878 -0.1225 0.0242 0.0331 38 PHE D CG ? ? 1 +13011 C CD1 . PHE D 28 0.3777 0.7640 0.9832 -0.1142 0.0203 0.0337 38 PHE D CD1 ? ? 1 +13012 C CD2 . PHE D 28 0.3892 0.7668 0.9927 -0.1239 0.0292 0.0366 38 PHE D CD2 ? ? 1 +13013 C CE1 . PHE D 28 0.3851 0.7617 0.9798 -0.1073 0.0211 0.0375 38 PHE D CE1 ? ? 1 +13014 C CE2 . PHE D 28 0.3969 0.7643 0.9889 -0.1169 0.0299 0.0406 38 PHE D CE2 ? ? 1 +13015 C CZ . PHE D 28 0.3943 0.7615 0.9822 -0.1086 0.0257 0.0409 38 PHE D CZ ? ? 1 +13016 C C . PHE D 28 0.3399 0.7667 0.9834 -0.1317 0.0154 0.0222 38 PHE D C ? ? 1 +13017 O O . PHE D 28 0.3382 0.7660 0.9810 -0.1285 0.0112 0.0200 38 PHE D O ? ? 1 +13018 N N . PRO D 29 0.3368 0.7706 0.9898 -0.1396 0.0173 0.0200 39 PRO D N ? ? 1 +13019 C CA . PRO D 29 0.3301 0.7740 0.9931 -0.1438 0.0138 0.0151 39 PRO D CA ? ? 1 +13020 C CB . PRO D 29 0.3317 0.7830 1.0047 -0.1520 0.0172 0.0138 39 PRO D CB ? ? 1 +13021 C CG . PRO D 29 0.3426 0.7833 1.0085 -0.1534 0.0233 0.0178 39 PRO D CG ? ? 1 +13022 C CD . PRO D 29 0.3424 0.7756 0.9972 -0.1445 0.0228 0.0221 39 PRO D CD ? ? 1 +13023 C C . PRO D 29 0.3116 0.7700 0.9805 -0.1380 0.0085 0.0142 39 PRO D C ? ? 1 +13024 O O . PRO D 29 0.3101 0.7692 0.9786 -0.1359 0.0042 0.0116 39 PRO D O ? ? 1 +13025 N N . CYS D 30 0.2981 0.7672 0.9718 -0.1352 0.0089 0.0166 40 CYS D N ? ? 1 +13026 C CA . CYS D 30 0.2813 0.7649 0.9615 -0.1305 0.0044 0.0158 40 CYS D CA ? ? 1 +13027 C CB . CYS D 30 0.2713 0.7654 0.9570 -0.1292 0.0061 0.0185 40 CYS D CB ? ? 1 +13028 S SG . CYS D 30 0.2680 0.7729 0.9664 -0.1377 0.0087 0.0163 40 CYS D SG ? ? 1 +13029 C C . CYS D 30 0.2782 0.7580 0.9510 -0.1228 0.0009 0.0167 40 CYS D C ? ? 1 +13030 O O . CYS D 30 0.2706 0.7579 0.9472 -0.1207 -0.0034 0.0142 40 CYS D O ? ? 1 +13031 N N . ALA D 31 0.2843 0.7524 0.9467 -0.1184 0.0030 0.0201 41 ALA D N ? ? 1 +13032 C CA . ALA D 31 0.2833 0.7474 0.9388 -0.1110 0.0001 0.0208 41 ALA D CA ? ? 1 +13033 C CB . ALA D 31 0.2902 0.7433 0.9354 -0.1061 0.0027 0.0250 41 ALA D CB ? ? 1 +13034 C C . ALA D 31 0.2904 0.7469 0.9421 -0.1121 -0.0021 0.0175 41 ALA D C ? ? 1 +13035 O O . ALA D 31 0.2855 0.7452 0.9367 -0.1077 -0.0058 0.0161 41 ALA D O ? ? 1 +13036 N N . TYR D 32 0.3026 0.7487 0.9515 -0.1181 0.0004 0.0161 42 TYR D N ? ? 1 +13037 C CA . TYR D 32 0.3110 0.7488 0.9560 -0.1197 -0.0014 0.0128 42 TYR D CA ? ? 1 +13038 C CB . TYR D 32 0.3272 0.7513 0.9676 -0.1264 0.0025 0.0123 42 TYR D CB ? ? 1 +13039 C CG . TYR D 32 0.3387 0.7522 0.9739 -0.1284 0.0009 0.0088 42 TYR D CG ? ? 1 +13040 C CD1 . TYR D 32 0.3437 0.7478 0.9693 -0.1221 -0.0007 0.0092 42 TYR D CD1 ? ? 1 +13041 C CD2 . TYR D 32 0.3446 0.7579 0.9849 -0.1367 0.0011 0.0050 42 TYR D CD2 ? ? 1 +13042 C CE1 . TYR D 32 0.3549 0.7490 0.9753 -0.1238 -0.0021 0.0060 42 TYR D CE1 ? ? 1 +13043 C CE2 . TYR D 32 0.3555 0.7590 0.9908 -0.1387 -0.0005 0.0016 42 TYR D CE2 ? ? 1 +13044 C CZ . TYR D 32 0.3610 0.7546 0.9861 -0.1322 -0.0021 0.0021 42 TYR D CZ ? ? 1 +13045 O OH . TYR D 32 0.3736 0.7570 0.9933 -0.1341 -0.0035 -0.0013 42 TYR D OH ? ? 1 +13046 C C . TYR D 32 0.3019 0.7518 0.9560 -0.1221 -0.0057 0.0084 42 TYR D C ? ? 1 +13047 O O . TYR D 32 0.3020 0.7503 0.9531 -0.1190 -0.0091 0.0063 42 TYR D O ? ? 1 +13048 N N . LEU D 33 0.2941 0.7559 0.9589 -0.1272 -0.0056 0.0071 43 LEU D N ? ? 1 +13049 C CA . LEU D 33 0.2866 0.7600 0.9604 -0.1296 -0.0098 0.0029 43 LEU D CA ? ? 1 +13050 C CB . LEU D 33 0.2820 0.7661 0.9673 -0.1365 -0.0084 0.0015 43 LEU D CB ? ? 1 +13051 C CG . LEU D 33 0.2946 0.7702 0.9800 -0.1447 -0.0046 0.0002 43 LEU D CG ? ? 1 +13052 C CD1 . LEU D 33 0.2893 0.7774 0.9873 -0.1510 -0.0034 -0.0014 43 LEU D CD1 ? ? 1 +13053 C CD2 . LEU D 33 0.3051 0.7724 0.9870 -0.1477 -0.0067 -0.0037 43 LEU D CD2 ? ? 1 +13054 C C . LEU D 33 0.2730 0.7569 0.9488 -0.1228 -0.0138 0.0032 43 LEU D C ? ? 1 +13055 O O . LEU D 33 0.2702 0.7580 0.9474 -0.1219 -0.0179 0.0001 43 LEU D O ? ? 1 +13056 N N . ALA D 34 0.2654 0.7538 0.9410 -0.1181 -0.0125 0.0071 44 ALA D N ? ? 1 +13057 C CA . ALA D 34 0.2540 0.7515 0.9310 -0.1116 -0.0157 0.0077 44 ALA D CA ? ? 1 +13058 C CB . ALA D 34 0.2464 0.7484 0.9239 -0.1078 -0.0136 0.0119 44 ALA D CB ? ? 1 +13059 C C . ALA D 34 0.2589 0.7484 0.9273 -0.1064 -0.0178 0.0072 44 ALA D C ? ? 1 +13060 O O . ALA D 34 0.2527 0.7481 0.9225 -0.1036 -0.0215 0.0053 44 ALA D O ? ? 1 +13061 N N . LEU D 35 0.2709 0.7465 0.9300 -0.1049 -0.0153 0.0089 45 LEU D N ? ? 1 +13062 C CA . LEU D 35 0.2772 0.7442 0.9278 -0.0999 -0.0168 0.0085 45 LEU D CA ? ? 1 +13063 C CB . LEU D 35 0.2890 0.7421 0.9300 -0.0974 -0.0134 0.0115 45 LEU D CB ? ? 1 +13064 C CG . LEU D 35 0.2974 0.7409 0.9293 -0.0918 -0.0144 0.0113 45 LEU D CG ? ? 1 +13065 C CD1 . LEU D 35 0.2895 0.7384 0.9203 -0.0839 -0.0152 0.0139 45 LEU D CD1 ? ? 1 +13066 C CD2 . LEU D 35 0.3141 0.7408 0.9366 -0.0927 -0.0114 0.0123 45 LEU D CD2 ? ? 1 +13067 C C . LEU D 35 0.2835 0.7463 0.9332 -0.1035 -0.0191 0.0040 45 LEU D C ? ? 1 +13068 O O . LEU D 35 0.2818 0.7461 0.9297 -0.1001 -0.0222 0.0021 45 LEU D O ? ? 1 +13069 N N . GLY D 36 0.2917 0.7491 0.9425 -0.1106 -0.0175 0.0023 46 GLY D N ? ? 1 +13070 C CA . GLY D 36 0.2982 0.7518 0.9489 -0.1150 -0.0197 -0.0022 46 GLY D CA ? ? 1 +13071 C C . GLY D 36 0.2872 0.7541 0.9457 -0.1156 -0.0243 -0.0056 46 GLY D C ? ? 1 +13072 O O . GLY D 36 0.2912 0.7553 0.9466 -0.1149 -0.0275 -0.0088 46 GLY D O ? ? 1 +13073 N N . GLY D 37 0.2741 0.7548 0.9422 -0.1167 -0.0247 -0.0049 47 GLY D N ? ? 1 +13074 C CA . GLY D 37 0.2637 0.7574 0.9389 -0.1163 -0.0291 -0.0076 47 GLY D CA ? ? 1 +13075 C C . GLY D 37 0.2576 0.7531 0.9283 -0.1091 -0.0319 -0.0073 47 GLY D C ? ? 1 +13076 O O . GLY D 37 0.2571 0.7551 0.9279 -0.1087 -0.0358 -0.0106 47 GLY D O ? ? 1 +13077 N N . TRP D 38 0.2528 0.7470 0.9195 -0.1033 -0.0299 -0.0033 48 TRP D N ? ? 1 +13078 C CA . TRP D 38 0.2472 0.7428 0.9096 -0.0964 -0.0319 -0.0027 48 TRP D CA ? ? 1 +13079 C CB . TRP D 38 0.2424 0.7379 0.9023 -0.0910 -0.0293 0.0017 48 TRP D CB ? ? 1 +13080 C CG . TRP D 38 0.2360 0.7352 0.8934 -0.0844 -0.0311 0.0022 48 TRP D CG ? ? 1 +13081 C CD1 . TRP D 38 0.2258 0.7365 0.8882 -0.0827 -0.0336 0.0016 48 TRP D CD1 ? ? 1 +13082 N NE1 . TRP D 38 0.2238 0.7339 0.8816 -0.0767 -0.0343 0.0022 48 TRP D NE1 ? ? 1 +13083 C CE2 . TRP D 38 0.2325 0.7311 0.8825 -0.0743 -0.0324 0.0031 48 TRP D CE2 ? ? 1 +13084 C CZ2 . TRP D 38 0.2342 0.7286 0.8780 -0.0683 -0.0320 0.0037 48 TRP D CZ2 ? ? 1 +13085 C CH2 . TRP D 38 0.2446 0.7270 0.8812 -0.0668 -0.0300 0.0044 48 TRP D CH2 ? ? 1 +13086 C CZ3 . TRP D 38 0.2535 0.7275 0.8885 -0.0710 -0.0282 0.0046 48 TRP D CZ3 ? ? 1 +13087 C CE3 . TRP D 38 0.2515 0.7297 0.8927 -0.0773 -0.0283 0.0040 48 TRP D CE3 ? ? 1 +13088 C CD2 . TRP D 38 0.2406 0.7317 0.8898 -0.0789 -0.0304 0.0031 48 TRP D CD2 ? ? 1 +13089 C C . TRP D 38 0.2569 0.7414 0.9107 -0.0949 -0.0331 -0.0051 48 TRP D C ? ? 1 +13090 O O . TRP D 38 0.2547 0.7420 0.9074 -0.0926 -0.0362 -0.0073 48 TRP D O ? ? 1 +13091 N N . LEU D 39 0.2685 0.7399 0.9158 -0.0962 -0.0305 -0.0046 49 LEU D N ? ? 1 +13092 C CA . LEU D 39 0.2799 0.7393 0.9184 -0.0949 -0.0312 -0.0068 49 LEU D CA ? ? 1 +13093 C CB . LEU D 39 0.2923 0.7375 0.9237 -0.0956 -0.0275 -0.0050 49 LEU D CB ? ? 1 +13094 C CG . LEU D 39 0.2907 0.7334 0.9182 -0.0897 -0.0248 -0.0005 49 LEU D CG ? ? 1 +13095 C CD1 . LEU D 39 0.3036 0.7325 0.9247 -0.0913 -0.0212 0.0012 49 LEU D CD1 ? ? 1 +13096 C CD2 . LEU D 39 0.2892 0.7306 0.9110 -0.0819 -0.0260 -0.0003 49 LEU D CD2 ? ? 1 +13097 C C . LEU D 39 0.2850 0.7445 0.9251 -0.0998 -0.0345 -0.0117 49 LEU D C ? ? 1 +13098 O O . LEU D 39 0.2883 0.7450 0.9236 -0.0971 -0.0370 -0.0141 49 LEU D O ? ? 1 +13099 N N . THR D 40 0.2852 0.7480 0.9321 -0.1069 -0.0345 -0.0133 50 THR D N ? ? 1 +13100 C CA . THR D 40 0.2884 0.7536 0.9386 -0.1117 -0.0381 -0.0182 50 THR D CA ? ? 1 +13101 C CB . THR D 40 0.2892 0.7592 0.9483 -0.1197 -0.0373 -0.0195 50 THR D CB ? ? 1 +13102 O OG1 . THR D 40 0.2997 0.7581 0.9549 -0.1230 -0.0329 -0.0179 50 THR D OG1 ? ? 1 +13103 C CG2 . THR D 40 0.2934 0.7661 0.9564 -0.1248 -0.0413 -0.0249 50 THR D CG2 ? ? 1 +13104 C C . THR D 40 0.2781 0.7545 0.9315 -0.1083 -0.0424 -0.0198 50 THR D C ? ? 1 +13105 O O . THR D 40 0.2831 0.7567 0.9325 -0.1077 -0.0457 -0.0232 50 THR D O ? ? 1 +13106 N N . GLY D 41 0.2645 0.7532 0.9246 -0.1062 -0.0424 -0.0174 51 GLY D N ? ? 1 +13107 C CA . GLY D 41 0.2553 0.7551 0.9191 -0.1035 -0.0463 -0.0187 51 GLY D CA ? ? 1 +13108 C C . GLY D 41 0.2557 0.7520 0.9113 -0.0967 -0.0475 -0.0183 51 GLY D C ? ? 1 +13109 O O . GLY D 41 0.2565 0.7546 0.9104 -0.0956 -0.0512 -0.0213 51 GLY D O ? ? 1 +13110 N N . THR D 42 0.2548 0.7460 0.9052 -0.0919 -0.0442 -0.0147 52 THR D N ? ? 1 +13111 C CA . THR D 42 0.2553 0.7433 0.8985 -0.0854 -0.0447 -0.0143 52 THR D CA ? ? 1 +13112 C CB . THR D 42 0.2519 0.7380 0.8925 -0.0804 -0.0410 -0.0099 52 THR D CB ? ? 1 +13113 O OG1 . THR D 42 0.2609 0.7365 0.8978 -0.0820 -0.0380 -0.0087 52 THR D OG1 ? ? 1 +13114 C CG2 . THR D 42 0.2391 0.7369 0.8872 -0.0795 -0.0403 -0.0069 52 THR D CG2 ? ? 1 +13115 C C . THR D 42 0.2688 0.7451 0.9034 -0.0855 -0.0458 -0.0175 52 THR D C ? ? 1 +13116 O O . THR D 42 0.2706 0.7455 0.8998 -0.0812 -0.0472 -0.0186 52 THR D O ? ? 1 +13117 N N . THR D 43 0.2793 0.7468 0.9123 -0.0905 -0.0450 -0.0192 53 THR D N ? ? 1 +13118 C CA . THR D 43 0.2922 0.7478 0.9169 -0.0910 -0.0461 -0.0225 53 THR D CA ? ? 1 +13119 C CB . THR D 43 0.3038 0.7472 0.9250 -0.0946 -0.0431 -0.0222 53 THR D CB ? ? 1 +13120 O OG1 . THR D 43 0.3021 0.7422 0.9206 -0.0904 -0.0392 -0.0178 53 THR D OG1 ? ? 1 +13121 C CG2 . THR D 43 0.3186 0.7485 0.9305 -0.0951 -0.0440 -0.0255 53 THR D CG2 ? ? 1 +13122 C C . THR D 43 0.2951 0.7538 0.9216 -0.0947 -0.0508 -0.0273 53 THR D C ? ? 1 +13123 O O . THR D 43 0.3014 0.7547 0.9208 -0.0922 -0.0528 -0.0298 53 THR D O ? ? 1 +13124 N N . PHE D 44 0.2905 0.7581 0.9263 -0.1002 -0.0524 -0.0286 54 PHE D N ? ? 1 +13125 C CA . PHE D 44 0.2947 0.7646 0.9330 -0.1047 -0.0569 -0.0336 54 PHE D CA ? ? 1 +13126 C CB . PHE D 44 0.3030 0.7685 0.9450 -0.1126 -0.0559 -0.0355 54 PHE D CB ? ? 1 +13127 C CG . PHE D 44 0.3162 0.7654 0.9493 -0.1133 -0.0528 -0.0353 54 PHE D CG ? ? 1 +13128 C CD1 . PHE D 44 0.3271 0.7655 0.9504 -0.1115 -0.0544 -0.0382 54 PHE D CD1 ? ? 1 +13129 C CD2 . PHE D 44 0.3182 0.7623 0.9520 -0.1155 -0.0481 -0.0323 54 PHE D CD2 ? ? 1 +13130 C CE1 . PHE D 44 0.3398 0.7627 0.9545 -0.1119 -0.0515 -0.0380 54 PHE D CE1 ? ? 1 +13131 C CE2 . PHE D 44 0.3312 0.7595 0.9560 -0.1158 -0.0453 -0.0320 54 PHE D CE2 ? ? 1 +13132 C CZ . PHE D 44 0.3417 0.7596 0.9572 -0.1140 -0.0470 -0.0349 54 PHE D CZ ? ? 1 +13133 C C . PHE D 44 0.2840 0.7688 0.9305 -0.1049 -0.0607 -0.0347 54 PHE D C ? ? 1 +13134 O O . PHE D 44 0.2886 0.7749 0.9347 -0.1061 -0.0652 -0.0388 54 PHE D O ? ? 1 +13135 N N . VAL D 45 0.2711 0.7662 0.9246 -0.1034 -0.0592 -0.0313 55 VAL D N ? ? 1 +13136 C CA . VAL D 45 0.2612 0.7704 0.9237 -0.1044 -0.0625 -0.0323 55 VAL D CA ? ? 1 +13137 C CB . VAL D 45 0.2530 0.7703 0.9256 -0.1078 -0.0596 -0.0297 55 VAL D CB ? ? 1 +13138 C CG1 . VAL D 45 0.2425 0.7748 0.9246 -0.1081 -0.0627 -0.0304 55 VAL D CG1 ? ? 1 +13139 C CG2 . VAL D 45 0.2618 0.7737 0.9374 -0.1150 -0.0579 -0.0314 55 VAL D CG2 ? ? 1 +13140 C C . VAL D 45 0.2534 0.7687 0.9136 -0.0980 -0.0644 -0.0311 55 VAL D C ? ? 1 +13141 O O . VAL D 45 0.2499 0.7638 0.9063 -0.0929 -0.0615 -0.0275 55 VAL D O ? ? 1 +13142 N N . THR D 46 0.2520 0.7745 0.9150 -0.0984 -0.0693 -0.0343 56 THR D N ? ? 1 +13143 C CA . THR D 46 0.2460 0.7742 0.9066 -0.0930 -0.0717 -0.0338 56 THR D CA ? ? 1 +13144 C CB . THR D 46 0.2522 0.7812 0.9107 -0.0937 -0.0776 -0.0386 56 THR D CB ? ? 1 +13145 O OG1 . THR D 46 0.2489 0.7805 0.9023 -0.0879 -0.0794 -0.0380 56 THR D OG1 ? ? 1 +13146 C CG2 . THR D 46 0.2496 0.7892 0.9190 -0.0988 -0.0813 -0.0416 56 THR D CG2 ? ? 1 +13147 C C . THR D 46 0.2328 0.7738 0.9023 -0.0921 -0.0713 -0.0311 56 THR D C ? ? 1 +13148 O O . THR D 46 0.2299 0.7761 0.9079 -0.0961 -0.0699 -0.0304 56 THR D O ? ? 1 +13149 N N . SER D 47 0.2265 0.7718 0.8933 -0.0868 -0.0725 -0.0297 57 SER D N ? ? 1 +13150 C CA . SER D 47 0.2152 0.7725 0.8892 -0.0854 -0.0734 -0.0280 57 SER D CA ? ? 1 +13151 C CB . SER D 47 0.2077 0.7658 0.8803 -0.0810 -0.0692 -0.0232 57 SER D CB ? ? 1 +13152 O OG . SER D 47 0.2092 0.7617 0.8817 -0.0824 -0.0647 -0.0208 57 SER D OG ? ? 1 +13153 C C . SER D 47 0.2153 0.7770 0.8873 -0.0829 -0.0785 -0.0306 57 SER D C ? ? 1 +13154 O O . SER D 47 0.2071 0.7767 0.8817 -0.0800 -0.0793 -0.0289 57 SER D O ? ? 1 +13155 N N . TRP D 48 0.2260 0.7824 0.8930 -0.0841 -0.0822 -0.0347 58 TRP D N ? ? 1 +13156 C CA . TRP D 48 0.2296 0.7891 0.8938 -0.0819 -0.0876 -0.0375 58 TRP D CA ? ? 1 +13157 C CB . TRP D 48 0.2425 0.7944 0.9013 -0.0844 -0.0911 -0.0423 58 TRP D CB ? ? 1 +13158 C CG . TRP D 48 0.2484 0.7992 0.8997 -0.0809 -0.0960 -0.0450 58 TRP D CG ? ? 1 +13159 C CD1 . TRP D 48 0.2551 0.8080 0.9072 -0.0829 -0.1020 -0.0497 58 TRP D CD1 ? ? 1 +13160 N NE1 . TRP D 48 0.2602 0.8101 0.9028 -0.0782 -0.1052 -0.0509 58 TRP D NE1 ? ? 1 +13161 C CE2 . TRP D 48 0.2565 0.8028 0.8925 -0.0732 -0.1010 -0.0468 58 TRP D CE2 ? ? 1 +13162 C CZ2 . TRP D 48 0.2597 0.8020 0.8853 -0.0676 -0.1015 -0.0460 58 TRP D CZ2 ? ? 1 +13163 C CH2 . TRP D 48 0.2552 0.7947 0.8768 -0.0638 -0.0962 -0.0417 58 TRP D CH2 ? ? 1 +13164 C CZ3 . TRP D 48 0.2475 0.7882 0.8749 -0.0651 -0.0908 -0.0382 58 TRP D CZ3 ? ? 1 +13165 C CE3 . TRP D 48 0.2449 0.7889 0.8818 -0.0704 -0.0904 -0.0388 58 TRP D CE3 ? ? 1 +13166 C CD2 . TRP D 48 0.2493 0.7963 0.8909 -0.0747 -0.0953 -0.0431 58 TRP D CD2 ? ? 1 +13167 C C . TRP D 48 0.2232 0.7956 0.8972 -0.0831 -0.0910 -0.0385 58 TRP D C ? ? 1 +13168 O O . TRP D 48 0.2191 0.7963 0.8915 -0.0789 -0.0930 -0.0376 58 TRP D O ? ? 1 +13169 N N . TYR D 49 0.2230 0.8007 0.9070 -0.0887 -0.0916 -0.0402 59 TYR D N ? ? 1 +13170 C CA . TYR D 49 0.2184 0.8086 0.9123 -0.0901 -0.0953 -0.0419 59 TYR D CA ? ? 1 +13171 C CB . TYR D 49 0.2225 0.8156 0.9251 -0.0970 -0.0971 -0.0459 59 TYR D CB ? ? 1 +13172 C CG . TYR D 49 0.2350 0.8190 0.9307 -0.0990 -0.1001 -0.0501 59 TYR D CG ? ? 1 +13173 C CD1 . TYR D 49 0.2412 0.8260 0.9328 -0.0970 -0.1064 -0.0539 59 TYR D CD1 ? ? 1 +13174 C CD2 . TYR D 49 0.2419 0.8156 0.9340 -0.1024 -0.0967 -0.0502 59 TYR D CD2 ? ? 1 +13175 C CE1 . TYR D 49 0.2532 0.8291 0.9377 -0.0986 -0.1092 -0.0578 59 TYR D CE1 ? ? 1 +13176 C CE2 . TYR D 49 0.2543 0.8187 0.9393 -0.1040 -0.0994 -0.0541 59 TYR D CE2 ? ? 1 +13177 C CZ . TYR D 49 0.2600 0.8257 0.9413 -0.1022 -0.1056 -0.0580 59 TYR D CZ ? ? 1 +13178 O OH . TYR D 49 0.2738 0.8301 0.9476 -0.1038 -0.1084 -0.0620 59 TYR D OH ? ? 1 +13179 C C . TYR D 49 0.2073 0.8062 0.9079 -0.0883 -0.0924 -0.0379 59 TYR D C ? ? 1 +13180 O O . TYR D 49 0.2027 0.8118 0.9097 -0.0874 -0.0955 -0.0386 59 TYR D O ? ? 1 +13181 N N . THR D 50 0.2035 0.7985 0.9023 -0.0872 -0.0867 -0.0336 60 THR D N ? ? 1 +13182 C CA . THR D 50 0.1927 0.7949 0.8970 -0.0855 -0.0837 -0.0296 60 THR D CA ? ? 1 +13183 C CB . THR D 50 0.1907 0.7907 0.8989 -0.0888 -0.0782 -0.0270 60 THR D CB ? ? 1 +13184 O OG1 . THR D 50 0.1970 0.7852 0.8960 -0.0875 -0.0752 -0.0256 60 THR D OG1 ? ? 1 +13185 C CG2 . THR D 50 0.1934 0.7966 0.9103 -0.0954 -0.0787 -0.0299 60 THR D CG2 ? ? 1 +13186 C C . THR D 50 0.1890 0.7896 0.8861 -0.0792 -0.0824 -0.0263 60 THR D C ? ? 1 +13187 O O . THR D 50 0.1814 0.7897 0.8824 -0.0768 -0.0823 -0.0242 60 THR D O ? ? 1 +13188 N N . HIS D 51 0.1945 0.7853 0.8814 -0.0766 -0.0813 -0.0259 61 HIS D N ? ? 1 +13189 C CA . HIS D 51 0.1912 0.7794 0.8710 -0.0711 -0.0792 -0.0227 61 HIS D CA ? ? 1 +13190 C CB . HIS D 51 0.1886 0.7707 0.8660 -0.0706 -0.0736 -0.0194 61 HIS D CB ? ? 1 +13191 C CG . HIS D 51 0.1790 0.7670 0.8644 -0.0720 -0.0702 -0.0162 61 HIS D CG ? ? 1 +13192 N ND1 . HIS D 51 0.1782 0.7686 0.8711 -0.0770 -0.0695 -0.0169 61 HIS D ND1 ? ? 1 +13193 C CE1 . HIS D 51 0.1699 0.7648 0.8676 -0.0767 -0.0662 -0.0135 61 HIS D CE1 ? ? 1 +13194 N NE2 . HIS D 51 0.1650 0.7607 0.8591 -0.0719 -0.0650 -0.0108 61 HIS D NE2 ? ? 1 +13195 C CD2 . HIS D 51 0.1706 0.7620 0.8569 -0.0690 -0.0673 -0.0124 61 HIS D CD2 ? ? 1 +13196 C C . HIS D 51 0.1992 0.7810 0.8684 -0.0675 -0.0818 -0.0245 61 HIS D C ? ? 1 +13197 O O . HIS D 51 0.1979 0.7795 0.8621 -0.0630 -0.0809 -0.0224 61 HIS D O ? ? 1 +13198 N N . GLY D 52 0.2095 0.7857 0.8748 -0.0695 -0.0847 -0.0283 62 GLY D N ? ? 1 +13199 C CA . GLY D 52 0.2186 0.7870 0.8727 -0.0662 -0.0865 -0.0299 62 GLY D CA ? ? 1 +13200 C C . GLY D 52 0.2227 0.7815 0.8696 -0.0645 -0.0817 -0.0279 62 GLY D C ? ? 1 +13201 O O . GLY D 52 0.2269 0.7809 0.8651 -0.0602 -0.0807 -0.0270 62 GLY D O ? ? 1 +13202 N N . LEU D 53 0.2226 0.7786 0.8732 -0.0677 -0.0786 -0.0271 63 LEU D N ? ? 1 +13203 C CA . LEU D 53 0.2246 0.7723 0.8695 -0.0659 -0.0739 -0.0249 63 LEU D CA ? ? 1 +13204 C CB . LEU D 53 0.2154 0.7675 0.8659 -0.0652 -0.0695 -0.0206 63 LEU D CB ? ? 1 +13205 C CG . LEU D 53 0.2068 0.7658 0.8586 -0.0614 -0.0687 -0.0177 63 LEU D CG ? ? 1 +13206 C CD1 . LEU D 53 0.1981 0.7608 0.8555 -0.0614 -0.0645 -0.0139 63 LEU D CD1 ? ? 1 +13207 C CD2 . LEU D 53 0.2107 0.7645 0.8529 -0.0566 -0.0679 -0.0174 63 LEU D CD2 ? ? 1 +13208 C C . LEU D 53 0.2321 0.7713 0.8751 -0.0695 -0.0734 -0.0271 63 LEU D C ? ? 1 +13209 O O . LEU D 53 0.2311 0.7728 0.8811 -0.0744 -0.0742 -0.0284 63 LEU D O ? ? 1 +13210 N N . ALA D 54 0.2384 0.7675 0.8720 -0.0670 -0.0718 -0.0275 64 ALA D N ? ? 1 +13211 C CA . ALA D 54 0.2452 0.7648 0.8760 -0.0694 -0.0699 -0.0285 64 ALA D CA ? ? 1 +13212 C CB . ALA D 54 0.2561 0.7649 0.8754 -0.0664 -0.0698 -0.0303 64 ALA D CB ? ? 1 +13213 C C . ALA D 54 0.2370 0.7571 0.8714 -0.0688 -0.0649 -0.0243 64 ALA D C ? ? 1 +13214 O O . ALA D 54 0.2306 0.7547 0.8652 -0.0649 -0.0627 -0.0212 64 ALA D O ? ? 1 +13215 N N . SER D 55 0.2384 0.7542 0.8753 -0.0727 -0.0632 -0.0244 65 SER D N ? ? 1 +13216 C CA . SER D 55 0.2315 0.7480 0.8721 -0.0724 -0.0589 -0.0205 65 SER D CA ? ? 1 +13217 C CB . SER D 55 0.2211 0.7490 0.8720 -0.0748 -0.0592 -0.0189 65 SER D CB ? ? 1 +13218 O OG . SER D 55 0.2239 0.7545 0.8803 -0.0804 -0.0620 -0.0219 65 SER D OG ? ? 1 +13219 C C . SER D 55 0.2384 0.7452 0.8770 -0.0753 -0.0564 -0.0206 65 SER D C ? ? 1 +13220 O O . SER D 55 0.2344 0.7420 0.8770 -0.0763 -0.0533 -0.0178 65 SER D O ? ? 1 +13221 N N . SER D 56 0.2497 0.7467 0.8814 -0.0762 -0.0576 -0.0237 66 SER D N ? ? 1 +13222 C CA . SER D 56 0.2591 0.7455 0.8877 -0.0789 -0.0554 -0.0241 66 SER D CA ? ? 1 +13223 C CB . SER D 56 0.2642 0.7502 0.8970 -0.0858 -0.0580 -0.0277 66 SER D CB ? ? 1 +13224 O OG . SER D 56 0.2688 0.7546 0.8984 -0.0861 -0.0624 -0.0318 66 SER D OG ? ? 1 +13225 C C . SER D 56 0.2700 0.7444 0.8877 -0.0753 -0.0546 -0.0253 66 SER D C ? ? 1 +13226 O O . SER D 56 0.2715 0.7455 0.8841 -0.0721 -0.0565 -0.0270 66 SER D O ? ? 1 +13227 N N . TYR D 57 0.2787 0.7429 0.8925 -0.0758 -0.0516 -0.0245 67 TYR D N ? ? 1 +13228 C CA . TYR D 57 0.2910 0.7429 0.8944 -0.0726 -0.0507 -0.0258 67 TYR D CA ? ? 1 +13229 C CB . TYR D 57 0.2990 0.7401 0.8990 -0.0733 -0.0472 -0.0244 67 TYR D CB ? ? 1 +13230 C CG . TYR D 57 0.2911 0.7357 0.8944 -0.0703 -0.0436 -0.0196 67 TYR D CG ? ? 1 +13231 C CD1 . TYR D 57 0.2841 0.7334 0.8864 -0.0639 -0.0423 -0.0173 67 TYR D CD1 ? ? 1 +13232 C CD2 . TYR D 57 0.2913 0.7345 0.8984 -0.0738 -0.0415 -0.0176 67 TYR D CD2 ? ? 1 +13233 C CE1 . TYR D 57 0.2768 0.7297 0.8823 -0.0611 -0.0394 -0.0132 67 TYR D CE1 ? ? 1 +13234 C CE2 . TYR D 57 0.2847 0.7309 0.8942 -0.0709 -0.0385 -0.0134 67 TYR D CE2 ? ? 1 +13235 C CZ . TYR D 57 0.2771 0.7284 0.8860 -0.0645 -0.0376 -0.0112 67 TYR D CZ ? ? 1 +13236 O OH . TYR D 57 0.2707 0.7253 0.8822 -0.0618 -0.0351 -0.0073 67 TYR D OH ? ? 1 +13237 C C . TYR D 57 0.3020 0.7493 0.9009 -0.0751 -0.0545 -0.0307 67 TYR D C ? ? 1 +13238 O O . TYR D 57 0.3079 0.7502 0.8989 -0.0712 -0.0552 -0.0323 67 TYR D O ? ? 1 +13239 N N . LEU D 58 0.3051 0.7546 0.9094 -0.0817 -0.0570 -0.0332 68 LEU D N ? ? 1 +13240 C CA . LEU D 58 0.3150 0.7610 0.9163 -0.0849 -0.0612 -0.0382 68 LEU D CA ? ? 1 +13241 C CB . LEU D 58 0.3145 0.7660 0.9249 -0.0925 -0.0634 -0.0403 68 LEU D CB ? ? 1 +13242 C CG . LEU D 58 0.3248 0.7729 0.9332 -0.0967 -0.0680 -0.0458 68 LEU D CG ? ? 1 +13243 C CD1 . LEU D 58 0.3402 0.7722 0.9376 -0.0965 -0.0671 -0.0480 68 LEU D CD1 ? ? 1 +13244 C CD2 . LEU D 58 0.3241 0.7780 0.9427 -0.1045 -0.0696 -0.0478 68 LEU D CD2 ? ? 1 +13245 C C . LEU D 58 0.3128 0.7643 0.9114 -0.0812 -0.0646 -0.0398 68 LEU D C ? ? 1 +13246 O O . LEU D 58 0.3238 0.7680 0.9144 -0.0803 -0.0668 -0.0432 68 LEU D O ? ? 1 +13247 N N . GLU D 59 0.3006 0.7640 0.9052 -0.0790 -0.0649 -0.0374 69 GLU D N ? ? 1 +13248 C CA . GLU D 59 0.2991 0.7675 0.9009 -0.0754 -0.0678 -0.0385 69 GLU D CA ? ? 1 +13249 C CB . GLU D 59 0.2854 0.7680 0.8968 -0.0758 -0.0691 -0.0366 69 GLU D CB ? ? 1 +13250 C CG . GLU D 59 0.2836 0.7725 0.9042 -0.0822 -0.0721 -0.0388 69 GLU D CG ? ? 1 +13251 C CD . GLU D 59 0.2699 0.7726 0.9003 -0.0824 -0.0727 -0.0366 69 GLU D CD ? ? 1 +13252 O OE1 . GLU D 59 0.2613 0.7676 0.8973 -0.0826 -0.0691 -0.0330 69 GLU D OE1 ? ? 1 +13253 O OE2 . GLU D 59 0.2677 0.7770 0.8992 -0.0816 -0.0768 -0.0384 69 GLU D OE2 ? ? 1 +13254 C C . GLU D 59 0.3023 0.7662 0.8957 -0.0685 -0.0652 -0.0366 69 GLU D C ? ? 1 +13255 O O . GLU D 59 0.3047 0.7702 0.8935 -0.0654 -0.0672 -0.0378 69 GLU D O ? ? 1 +13256 N N . GLY D 60 0.3039 0.7622 0.8950 -0.0660 -0.0606 -0.0338 70 GLY D N ? ? 1 +13257 C CA . GLY D 60 0.3064 0.7604 0.8900 -0.0597 -0.0578 -0.0324 70 GLY D CA ? ? 1 +13258 C C . GLY D 60 0.2956 0.7566 0.8838 -0.0559 -0.0541 -0.0277 70 GLY D C ? ? 1 +13259 O O . GLY D 60 0.2968 0.7556 0.8801 -0.0506 -0.0515 -0.0264 70 GLY D O ? ? 1 +13260 N N . CYS D 61 0.2864 0.7559 0.8840 -0.0587 -0.0539 -0.0254 71 CYS D N ? ? 1 +13261 C CA . CYS D 61 0.2760 0.7521 0.8785 -0.0557 -0.0507 -0.0212 71 CYS D CA ? ? 1 +13262 C CB . CYS D 61 0.2655 0.7519 0.8782 -0.0595 -0.0516 -0.0195 71 CYS D CB ? ? 1 +13263 S SG . CYS D 61 0.2576 0.7554 0.8746 -0.0602 -0.0557 -0.0208 71 CYS D SG ? ? 1 +13264 C C . CYS D 61 0.2811 0.7492 0.8806 -0.0537 -0.0468 -0.0193 71 CYS D C ? ? 1 +13265 O O . CYS D 61 0.2926 0.7511 0.8884 -0.0560 -0.0467 -0.0209 71 CYS D O ? ? 1 +13266 N N . ASN D 62 0.2741 0.7463 0.8754 -0.0494 -0.0438 -0.0159 72 ASN D N ? ? 1 +13267 C CA . ASN D 62 0.2780 0.7441 0.8772 -0.0468 -0.0404 -0.0137 72 ASN D CA ? ? 1 +13268 C CB . ASN D 62 0.2778 0.7429 0.8724 -0.0402 -0.0380 -0.0129 72 ASN D CB ? ? 1 +13269 C CG . ASN D 62 0.2650 0.7414 0.8644 -0.0377 -0.0375 -0.0109 72 ASN D CG ? ? 1 +13270 O OD1 . ASN D 62 0.2549 0.7389 0.8612 -0.0381 -0.0367 -0.0080 72 ASN D OD1 ? ? 1 +13271 N ND2 . ASN D 62 0.2656 0.7432 0.8611 -0.0351 -0.0379 -0.0122 72 ASN D ND2 ? ? 1 +13272 C C . ASN D 62 0.2702 0.7428 0.8773 -0.0482 -0.0389 -0.0103 72 ASN D C ? ? 1 +13273 O O . ASN D 62 0.2606 0.7424 0.8745 -0.0510 -0.0405 -0.0096 72 ASN D O ? ? 1 +13274 N N . PHE D 63 0.2749 0.7424 0.8805 -0.0459 -0.0361 -0.0080 73 PHE D N ? ? 1 +13275 C CA . PHE D 63 0.2702 0.7422 0.8818 -0.0469 -0.0346 -0.0047 73 PHE D CA ? ? 1 +13276 C CB . PHE D 63 0.2791 0.7439 0.8868 -0.0428 -0.0316 -0.0026 73 PHE D CB ? ? 1 +13277 C CG . PHE D 63 0.2762 0.7456 0.8893 -0.0430 -0.0301 0.0009 73 PHE D CG ? ? 1 +13278 C CD1 . PHE D 63 0.2781 0.7468 0.8945 -0.0484 -0.0303 0.0015 73 PHE D CD1 ? ? 1 +13279 C CD2 . PHE D 63 0.2718 0.7463 0.8867 -0.0379 -0.0285 0.0036 73 PHE D CD2 ? ? 1 +13280 C CE1 . PHE D 63 0.2740 0.7466 0.8946 -0.0485 -0.0288 0.0048 73 PHE D CE1 ? ? 1 +13281 C CE2 . PHE D 63 0.2679 0.7464 0.8872 -0.0380 -0.0274 0.0067 73 PHE D CE2 ? ? 1 +13282 C CZ . PHE D 63 0.2690 0.7462 0.8908 -0.0432 -0.0275 0.0074 73 PHE D CZ ? ? 1 +13283 C C . PHE D 63 0.2539 0.7389 0.8728 -0.0458 -0.0347 -0.0025 73 PHE D C ? ? 1 +13284 O O . PHE D 63 0.2490 0.7396 0.8740 -0.0487 -0.0347 -0.0008 73 PHE D O ? ? 1 +13285 N N . LEU D 64 0.2468 0.7364 0.8647 -0.0417 -0.0347 -0.0026 74 LEU D N ? ? 1 +13286 C CA . LEU D 64 0.2327 0.7339 0.8566 -0.0407 -0.0347 -0.0007 74 LEU D CA ? ? 1 +13287 C CB . LEU D 64 0.2312 0.7345 0.8526 -0.0352 -0.0333 -0.0004 74 LEU D CB ? ? 1 +13288 C CG . LEU D 64 0.2358 0.7343 0.8543 -0.0305 -0.0304 0.0010 74 LEU D CG ? ? 1 +13289 C CD1 . LEU D 64 0.2333 0.7352 0.8503 -0.0255 -0.0288 0.0010 74 LEU D CD1 ? ? 1 +13290 C CD2 . LEU D 64 0.2310 0.7327 0.8544 -0.0302 -0.0291 0.0041 74 LEU D CD2 ? ? 1 +13291 C C . LEU D 64 0.2251 0.7333 0.8531 -0.0445 -0.0377 -0.0021 74 LEU D C ? ? 1 +13292 O O . LEU D 64 0.2148 0.7321 0.8491 -0.0452 -0.0379 -0.0002 74 LEU D O ? ? 1 +13293 N N . THR D 65 0.2297 0.7338 0.8540 -0.0467 -0.0401 -0.0053 75 THR D N ? ? 1 +13294 C CA . THR D 65 0.2240 0.7348 0.8515 -0.0495 -0.0433 -0.0069 75 THR D CA ? ? 1 +13295 C CB . THR D 65 0.2287 0.7366 0.8495 -0.0474 -0.0449 -0.0096 75 THR D CB ? ? 1 +13296 O OG1 . THR D 65 0.2399 0.7372 0.8540 -0.0481 -0.0454 -0.0123 75 THR D OG1 ? ? 1 +13297 C CG2 . THR D 65 0.2256 0.7355 0.8438 -0.0420 -0.0426 -0.0080 75 THR D CG2 ? ? 1 +13298 C C . THR D 65 0.2248 0.7359 0.8564 -0.0554 -0.0456 -0.0086 75 THR D C ? ? 1 +13299 O O . THR D 65 0.2215 0.7395 0.8573 -0.0577 -0.0483 -0.0097 75 THR D O ? ? 1 +13300 N N . VAL D 66 0.2303 0.7338 0.8607 -0.0579 -0.0444 -0.0088 76 VAL D N ? ? 1 +13301 C CA . VAL D 66 0.2309 0.7349 0.8659 -0.0640 -0.0460 -0.0102 76 VAL D CA ? ? 1 +13302 C CB . VAL D 66 0.2416 0.7343 0.8729 -0.0666 -0.0445 -0.0110 76 VAL D CB ? ? 1 +13303 C CG1 . VAL D 66 0.2531 0.7355 0.8757 -0.0656 -0.0455 -0.0141 76 VAL D CG1 ? ? 1 +13304 C CG2 . VAL D 66 0.2408 0.7302 0.8715 -0.0642 -0.0406 -0.0073 76 VAL D CG2 ? ? 1 +13305 C C . VAL D 66 0.2193 0.7330 0.8630 -0.0657 -0.0452 -0.0076 76 VAL D C ? ? 1 +13306 O O . VAL D 66 0.2129 0.7297 0.8581 -0.0625 -0.0428 -0.0043 76 VAL D O ? ? 1 +13307 N N . ALA D 67 0.2167 0.7355 0.8664 -0.0706 -0.0474 -0.0091 77 ALA D N ? ? 1 +13308 C CA . ALA D 67 0.2072 0.7343 0.8653 -0.0729 -0.0464 -0.0069 77 ALA D CA ? ? 1 +13309 C CB . ALA D 67 0.1964 0.7344 0.8587 -0.0703 -0.0476 -0.0057 77 ALA D CB ? ? 1 +13310 C C . ALA D 67 0.2094 0.7380 0.8728 -0.0794 -0.0480 -0.0094 77 ALA D C ? ? 1 +13311 O O . ALA D 67 0.2160 0.7411 0.8772 -0.0816 -0.0506 -0.0130 77 ALA D O ? ? 1 +13312 N N . VAL D 68 0.2042 0.7374 0.8742 -0.0823 -0.0462 -0.0075 78 VAL D N ? ? 1 +13313 C CA . VAL D 68 0.2019 0.7419 0.8800 -0.0877 -0.0478 -0.0094 78 VAL D CA ? ? 1 +13314 C CB . VAL D 68 0.2049 0.7422 0.8864 -0.0922 -0.0445 -0.0081 78 VAL D CB ? ? 1 +13315 C CG1 . VAL D 68 0.2023 0.7482 0.8935 -0.0979 -0.0459 -0.0102 78 VAL D CG1 ? ? 1 +13316 C CG2 . VAL D 68 0.2176 0.7413 0.8920 -0.0939 -0.0429 -0.0091 78 VAL D CG2 ? ? 1 +13317 C C . VAL D 68 0.1897 0.7421 0.8738 -0.0855 -0.0492 -0.0082 78 VAL D C ? ? 1 +13318 O O . VAL D 68 0.1826 0.7390 0.8694 -0.0839 -0.0467 -0.0049 78 VAL D O ? ? 1 +13319 N N . SER D 69 0.1881 0.7458 0.8734 -0.0852 -0.0533 -0.0110 79 SER D N ? ? 1 +13320 C CA . SER D 69 0.1780 0.7463 0.8676 -0.0826 -0.0550 -0.0101 79 SER D CA ? ? 1 +13321 C CB . SER D 69 0.1800 0.7492 0.8657 -0.0802 -0.0591 -0.0128 79 SER D CB ? ? 1 +13322 O OG . SER D 69 0.1852 0.7456 0.8615 -0.0765 -0.0584 -0.0126 79 SER D OG ? ? 1 +13323 C C . SER D 69 0.1725 0.7507 0.8723 -0.0864 -0.0556 -0.0105 79 SER D C ? ? 1 +13324 O O . SER D 69 0.1774 0.7553 0.8814 -0.0916 -0.0559 -0.0127 79 SER D O ? ? 1 +13325 N N . THR D 70 0.1631 0.7501 0.8667 -0.0837 -0.0557 -0.0085 80 THR D N ? ? 1 +13326 C CA . THR D 70 0.1566 0.7537 0.8698 -0.0864 -0.0561 -0.0086 80 THR D CA ? ? 1 +13327 C CB . THR D 70 0.1465 0.7506 0.8613 -0.0822 -0.0556 -0.0058 80 THR D CB ? ? 1 +13328 O OG1 . THR D 70 0.1457 0.7498 0.8553 -0.0780 -0.0585 -0.0066 80 THR D OG1 ? ? 1 +13329 C CG2 . THR D 70 0.1436 0.7443 0.8559 -0.0802 -0.0512 -0.0017 80 THR D CG2 ? ? 1 +13330 C C . THR D 70 0.1594 0.7616 0.8771 -0.0893 -0.0607 -0.0130 80 THR D C ? ? 1 +13331 O O . THR D 70 0.1643 0.7630 0.8769 -0.0880 -0.0639 -0.0155 80 THR D O ? ? 1 +13332 N N . PRO D 71 0.1572 0.7676 0.8845 -0.0932 -0.0611 -0.0142 81 PRO D N ? ? 1 +13333 C CA . PRO D 71 0.1593 0.7762 0.8919 -0.0954 -0.0659 -0.0185 81 PRO D CA ? ? 1 +13334 C CB . PRO D 71 0.1561 0.7811 0.8998 -0.1002 -0.0643 -0.0189 81 PRO D CB ? ? 1 +13335 C CG . PRO D 71 0.1560 0.7754 0.8984 -0.1016 -0.0585 -0.0153 81 PRO D CG ? ? 1 +13336 C CD . PRO D 71 0.1532 0.7669 0.8868 -0.0958 -0.0569 -0.0118 81 PRO D CD ? ? 1 +13337 C C . PRO D 71 0.1554 0.7783 0.8867 -0.0905 -0.0698 -0.0189 81 PRO D C ? ? 1 +13338 O O . PRO D 71 0.1496 0.7729 0.8775 -0.0860 -0.0684 -0.0157 81 PRO D O ? ? 1 +13339 N N . ALA D 72 0.1593 0.7867 0.8933 -0.0915 -0.0749 -0.0230 82 ALA D N ? ? 1 +13340 C CA . ALA D 72 0.1571 0.7900 0.8899 -0.0870 -0.0791 -0.0236 82 ALA D CA ? ? 1 +13341 C CB . ALA D 72 0.1634 0.7990 0.8977 -0.0885 -0.0850 -0.0286 82 ALA D CB ? ? 1 +13342 C C . ALA D 72 0.1485 0.7918 0.8890 -0.0858 -0.0780 -0.0215 82 ALA D C ? ? 1 +13343 O O . ALA D 72 0.1458 0.7941 0.8948 -0.0895 -0.0756 -0.0212 82 ALA D O ? ? 1 +13344 N N . ASN D 73 0.1455 0.7912 0.8824 -0.0805 -0.0796 -0.0201 83 ASN D N ? ? 1 +13345 C CA . ASN D 73 0.1380 0.7926 0.8809 -0.0786 -0.0789 -0.0181 83 ASN D CA ? ? 1 +13346 C CB . ASN D 73 0.1360 0.7904 0.8723 -0.0727 -0.0808 -0.0167 83 ASN D CB ? ? 1 +13347 C CG . ASN D 73 0.1281 0.7904 0.8693 -0.0703 -0.0797 -0.0144 83 ASN D CG ? ? 1 +13348 O OD1 . ASN D 73 0.1236 0.7857 0.8659 -0.0702 -0.0752 -0.0110 83 ASN D OD1 ? ? 1 +13349 N ND2 . ASN D 73 0.1278 0.7969 0.8716 -0.0681 -0.0841 -0.0162 83 ASN D ND2 ? ? 1 +13350 C C . ASN D 73 0.1377 0.8032 0.8919 -0.0815 -0.0816 -0.0211 83 ASN D C ? ? 1 +13351 O O . ASN D 73 0.1314 0.8042 0.8929 -0.0820 -0.0795 -0.0196 83 ASN D O ? ? 1 +13352 N N . SER D 74 0.1454 0.8122 0.9009 -0.0832 -0.0864 -0.0255 84 SER D N ? ? 1 +13353 C CA . SER D 74 0.1463 0.8241 0.9130 -0.0859 -0.0895 -0.0289 84 SER D CA ? ? 1 +13354 C CB . SER D 74 0.1545 0.8324 0.9200 -0.0864 -0.0958 -0.0338 84 SER D CB ? ? 1 +13355 O OG . SER D 74 0.1635 0.8323 0.9246 -0.0900 -0.0950 -0.0353 84 SER D OG ? ? 1 +13356 C C . SER D 74 0.1460 0.8273 0.9225 -0.0921 -0.0857 -0.0292 84 SER D C ? ? 1 +13357 O O . SER D 74 0.1434 0.8351 0.9307 -0.0943 -0.0870 -0.0314 84 SER D O ? ? 1 +13358 N N . MET D 75 0.1493 0.8217 0.9218 -0.0947 -0.0810 -0.0271 85 MET D N ? ? 1 +13359 C CA . MET D 75 0.1502 0.8241 0.9302 -0.1004 -0.0766 -0.0269 85 MET D CA ? ? 1 +13360 C CB . MET D 75 0.1590 0.8203 0.9319 -0.1032 -0.0733 -0.0259 85 MET D CB ? ? 1 +13361 C CG . MET D 75 0.1702 0.8256 0.9388 -0.1050 -0.0771 -0.0298 85 MET D CG ? ? 1 +13362 S SD . MET D 75 0.1781 0.8431 0.9593 -0.1114 -0.0805 -0.0355 85 MET D SD ? ? 1 +13363 C CE . MET D 75 0.1887 0.8469 0.9625 -0.1111 -0.0860 -0.0396 85 MET D CE ? ? 1 +13364 C C . MET D 75 0.1409 0.8199 0.9254 -0.0994 -0.0721 -0.0231 85 MET D C ? ? 1 +13365 O O . MET D 75 0.1405 0.8212 0.9312 -0.1039 -0.0682 -0.0226 85 MET D O ? ? 1 +13366 N N . GLY D 76 0.1345 0.8152 0.9152 -0.0937 -0.0726 -0.0204 86 GLY D N ? ? 1 +13367 C CA . GLY D 76 0.1266 0.8107 0.9098 -0.0922 -0.0684 -0.0166 86 GLY D CA ? ? 1 +13368 C C . GLY D 76 0.1281 0.8048 0.9089 -0.0950 -0.0624 -0.0136 86 GLY D C ? ? 1 +13369 O O . GLY D 76 0.1335 0.8000 0.9059 -0.0946 -0.0612 -0.0125 86 GLY D O ? ? 1 +13370 N N . HIS D 77 0.1245 0.8064 0.9126 -0.0977 -0.0586 -0.0124 87 HIS D N ? ? 1 +13371 C CA . HIS D 77 0.1255 0.8008 0.9118 -0.1005 -0.0529 -0.0097 87 HIS D CA ? ? 1 +13372 C CB . HIS D 77 0.1177 0.7976 0.9065 -0.0985 -0.0493 -0.0062 87 HIS D CB ? ? 1 +13373 C CG . HIS D 77 0.1120 0.7923 0.8953 -0.0922 -0.0509 -0.0039 87 HIS D CG ? ? 1 +13374 N ND1 . HIS D 77 0.1064 0.7960 0.8942 -0.0891 -0.0538 -0.0048 87 HIS D ND1 ? ? 1 +13375 C CE1 . HIS D 77 0.1030 0.7895 0.8836 -0.0840 -0.0542 -0.0023 87 HIS D CE1 ? ? 1 +13376 N NE2 . HIS D 77 0.1048 0.7812 0.8772 -0.0836 -0.0518 0.0001 87 HIS D NE2 ? ? 1 +13377 C CD2 . HIS D 77 0.1110 0.7832 0.8848 -0.0885 -0.0498 -0.0009 87 HIS D CD2 ? ? 1 +13378 C C . HIS D 77 0.1317 0.8069 0.9242 -0.1074 -0.0511 -0.0121 87 HIS D C ? ? 1 +13379 O O . HIS D 77 0.1314 0.8052 0.9261 -0.1106 -0.0461 -0.0103 87 HIS D O ? ? 1 +13380 N N . SER D 78 0.1384 0.8144 0.9329 -0.1099 -0.0552 -0.0164 88 SER D N ? ? 1 +13381 C CA . SER D 78 0.1467 0.8220 0.9467 -0.1168 -0.0539 -0.0192 88 SER D CA ? ? 1 +13382 C CB . SER D 78 0.1520 0.8279 0.9527 -0.1182 -0.0596 -0.0240 88 SER D CB ? ? 1 +13383 O OG . SER D 78 0.1593 0.8321 0.9636 -0.1251 -0.0582 -0.0267 88 SER D OG ? ? 1 +13384 C C . SER D 78 0.1536 0.8163 0.9466 -0.1194 -0.0489 -0.0167 88 SER D C ? ? 1 +13385 O O . SER D 78 0.1551 0.8082 0.9378 -0.1161 -0.0489 -0.0147 88 SER D O ? ? 1 +13386 N N . LEU D 79 0.1579 0.8207 0.9566 -0.1253 -0.0447 -0.0170 89 LEU D N ? ? 1 +13387 C CA . LEU D 79 0.1657 0.8161 0.9579 -0.1284 -0.0400 -0.0149 89 LEU D CA ? ? 1 +13388 C CB . LEU D 79 0.1683 0.8211 0.9680 -0.1346 -0.0348 -0.0148 89 LEU D CB ? ? 1 +13389 C CG . LEU D 79 0.1612 0.8205 0.9647 -0.1327 -0.0310 -0.0115 89 LEU D CG ? ? 1 +13390 C CD1 . LEU D 79 0.1641 0.8266 0.9757 -0.1393 -0.0260 -0.0121 89 LEU D CD1 ? ? 1 +13391 C CD2 . LEU D 79 0.1601 0.8102 0.9529 -0.1281 -0.0282 -0.0065 89 LEU D CD2 ? ? 1 +13392 C C . LEU D 79 0.1751 0.8168 0.9622 -0.1306 -0.0426 -0.0178 89 LEU D C ? ? 1 +13393 O O . LEU D 79 0.1828 0.8120 0.9613 -0.1312 -0.0399 -0.0161 89 LEU D O ? ? 1 +13394 N N . LEU D 80 0.1757 0.8239 0.9677 -0.1316 -0.0479 -0.0224 90 LEU D N ? ? 1 +13395 C CA . LEU D 80 0.1843 0.8255 0.9721 -0.1337 -0.0512 -0.0258 90 LEU D CA ? ? 1 +13396 C CB . LEU D 80 0.1856 0.8181 0.9613 -0.1276 -0.0535 -0.0243 90 LEU D CB ? ? 1 +13397 C CG . LEU D 80 0.1815 0.8210 0.9574 -0.1230 -0.0597 -0.0264 90 LEU D CG ? ? 1 +13398 C CD1 . LEU D 80 0.1814 0.8128 0.9453 -0.1166 -0.0608 -0.0240 90 LEU D CD1 ? ? 1 +13399 C CD2 . LEU D 80 0.1874 0.8294 0.9671 -0.1266 -0.0646 -0.0319 90 LEU D CD2 ? ? 1 +13400 C C . LEU D 80 0.1936 0.8255 0.9804 -0.1403 -0.0471 -0.0263 90 LEU D C ? ? 1 +13401 O O . LEU D 80 0.2019 0.8213 0.9793 -0.1403 -0.0466 -0.0260 90 LEU D O ? ? 1 +13402 N N . LEU D 81 0.1929 0.8310 0.9896 -0.1460 -0.0439 -0.0273 91 LEU D N ? ? 1 +13403 C CA . LEU D 81 0.2017 0.8319 0.9986 -0.1532 -0.0399 -0.0282 91 LEU D CA ? ? 1 +13404 C CB . LEU D 81 0.2000 0.8389 1.0085 -0.1587 -0.0357 -0.0286 91 LEU D CB ? ? 1 +13405 C CG . LEU D 81 0.1916 0.8347 1.0009 -0.1551 -0.0316 -0.0239 91 LEU D CG ? ? 1 +13406 C CD1 . LEU D 81 0.1912 0.8429 1.0120 -0.1610 -0.0273 -0.0247 91 LEU D CD1 ? ? 1 +13407 C CD2 . LEU D 81 0.1941 0.8232 0.9906 -0.1521 -0.0273 -0.0187 91 LEU D CD2 ? ? 1 +13408 C C . LEU D 81 0.2088 0.8361 1.0056 -0.1565 -0.0445 -0.0333 91 LEU D C ? ? 1 +13409 O O . LEU D 81 0.2060 0.8424 1.0078 -0.1551 -0.0503 -0.0369 91 LEU D O ? ? 1 +13410 N N . LEU D 82 0.2185 0.8325 1.0087 -0.1605 -0.0419 -0.0336 92 LEU D N ? ? 1 +13411 C CA . LEU D 82 0.2273 0.8368 1.0164 -0.1642 -0.0458 -0.0384 92 LEU D CA ? ? 1 +13412 C CB . LEU D 82 0.2401 0.8328 1.0205 -0.1681 -0.0414 -0.0375 92 LEU D CB ? ? 1 +13413 C CG . LEU D 82 0.2517 0.8385 1.0313 -0.1735 -0.0444 -0.0427 92 LEU D CG ? ? 1 +13414 C CD1 . LEU D 82 0.2516 0.8375 1.0251 -0.1682 -0.0511 -0.0449 92 LEU D CD1 ? ? 1 +13415 C CD2 . LEU D 82 0.2642 0.8344 1.0355 -0.1776 -0.0394 -0.0414 92 LEU D CD2 ? ? 1 +13416 C C . LEU D 82 0.2265 0.8488 1.0299 -0.1704 -0.0481 -0.0436 92 LEU D C ? ? 1 +13417 O O . LEU D 82 0.2285 0.8549 1.0344 -0.1707 -0.0542 -0.0482 92 LEU D O ? ? 1 +13418 N N . TRP D 83 0.2234 0.8522 1.0363 -0.1750 -0.0433 -0.0429 93 TRP D N ? ? 1 +13419 C CA . TRP D 83 0.2224 0.8643 1.0503 -0.1813 -0.0446 -0.0476 93 TRP D CA ? ? 1 +13420 C CB . TRP D 83 0.2287 0.8680 1.0615 -0.1890 -0.0370 -0.0467 93 TRP D CB ? ? 1 +13421 C CG . TRP D 83 0.2240 0.8628 1.0548 -0.1861 -0.0310 -0.0410 93 TRP D CG ? ? 1 +13422 C CD1 . TRP D 83 0.2149 0.8673 1.0552 -0.1848 -0.0296 -0.0399 93 TRP D CD1 ? ? 1 +13423 N NE1 . TRP D 83 0.2128 0.8595 1.0469 -0.1819 -0.0239 -0.0342 93 TRP D NE1 ? ? 1 +13424 C CE2 . TRP D 83 0.2209 0.8504 1.0412 -0.1811 -0.0217 -0.0314 93 TRP D CE2 ? ? 1 +13425 C CZ2 . TRP D 83 0.2227 0.8410 1.0325 -0.1782 -0.0166 -0.0259 93 TRP D CZ2 ? ? 1 +13426 C CH2 . TRP D 83 0.2318 0.8335 1.0287 -0.1775 -0.0158 -0.0243 93 TRP D CH2 ? ? 1 +13427 C CZ3 . TRP D 83 0.2395 0.8353 1.0337 -0.1798 -0.0197 -0.0282 93 TRP D CZ3 ? ? 1 +13428 C CE3 . TRP D 83 0.2382 0.8448 1.0425 -0.1830 -0.0247 -0.0338 93 TRP D CE3 ? ? 1 +13429 C CD2 . TRP D 83 0.2284 0.8524 1.0462 -0.1836 -0.0259 -0.0355 93 TRP D CD2 ? ? 1 +13430 C C . TRP D 83 0.2080 0.8673 1.0459 -0.1773 -0.0476 -0.0481 93 TRP D C ? ? 1 +13431 O O . TRP D 83 0.2054 0.8775 1.0569 -0.1816 -0.0481 -0.0515 93 TRP D O ? ? 1 +13432 N N . GLY D 84 0.1984 0.8580 1.0295 -0.1689 -0.0495 -0.0446 94 GLY D N ? ? 1 +13433 C CA . GLY D 84 0.1858 0.8602 1.0245 -0.1642 -0.0524 -0.0446 94 GLY D CA ? ? 1 +13434 C C . GLY D 84 0.1837 0.8674 1.0276 -0.1628 -0.0605 -0.0498 94 GLY D C ? ? 1 +13435 O O . GLY D 84 0.1915 0.8704 1.0333 -0.1657 -0.0641 -0.0537 94 GLY D O ? ? 1 +13436 N N . PRO D 85 0.1734 0.8703 1.0238 -0.1582 -0.0638 -0.0501 95 PRO D N ? ? 1 +13437 C CA . PRO D 85 0.1726 0.8797 1.0291 -0.1569 -0.0716 -0.0552 95 PRO D CA ? ? 1 +13438 C CB . PRO D 85 0.1623 0.8840 1.0278 -0.1531 -0.0722 -0.0544 95 PRO D CB ? ? 1 +13439 C CG . PRO D 85 0.1570 0.8729 1.0156 -0.1494 -0.0663 -0.0480 95 PRO D CG ? ? 1 +13440 C CD . PRO D 85 0.1639 0.8664 1.0163 -0.1543 -0.0601 -0.0457 95 PRO D CD ? ? 1 +13441 C C . PRO D 85 0.1750 0.8749 1.0199 -0.1513 -0.0776 -0.0558 95 PRO D C ? ? 1 +13442 O O . PRO D 85 0.1776 0.8824 1.0254 -0.1514 -0.0841 -0.0606 95 PRO D O ? ? 1 +13443 N N . GLU D 86 0.1739 0.8623 1.0057 -0.1465 -0.0752 -0.0510 96 GLU D N ? ? 1 +13444 C CA . GLU D 86 0.1766 0.8571 0.9963 -0.1411 -0.0798 -0.0511 96 GLU D CA ? ? 1 +13445 C CB . GLU D 86 0.1721 0.8443 0.9807 -0.1351 -0.0763 -0.0451 96 GLU D CB ? ? 1 +13446 C CG . GLU D 86 0.1612 0.8429 0.9743 -0.1308 -0.0748 -0.0419 96 GLU D CG ? ? 1 +13447 C CD . GLU D 86 0.1578 0.8413 0.9764 -0.1339 -0.0679 -0.0388 96 GLU D CD ? ? 1 +13448 O OE1 . GLU D 86 0.1644 0.8409 0.9828 -0.1395 -0.0636 -0.0386 96 GLU D OE1 ? ? 1 +13449 O OE2 . GLU D 86 0.1492 0.8407 0.9718 -0.1305 -0.0667 -0.0364 96 GLU D OE2 ? ? 1 +13450 C C . GLU D 86 0.1883 0.8578 1.0020 -0.1451 -0.0812 -0.0541 96 GLU D C ? ? 1 +13451 O O . GLU D 86 0.1929 0.8628 1.0046 -0.1441 -0.0874 -0.0581 96 GLU D O ? ? 1 +13452 N N . ALA D 87 0.1946 0.8534 1.0045 -0.1494 -0.0754 -0.0521 97 ALA D N ? ? 1 +13453 C CA . ALA D 87 0.2069 0.8535 1.0099 -0.1532 -0.0760 -0.0546 97 ALA D CA ? ? 1 +13454 C CB . ALA D 87 0.2107 0.8425 1.0034 -0.1531 -0.0697 -0.0500 97 ALA D CB ? ? 1 +13455 C C . ALA D 87 0.2141 0.8650 1.0275 -0.1618 -0.0767 -0.0598 97 ALA D C ? ? 1 +13456 O O . ALA D 87 0.2242 0.8695 1.0345 -0.1645 -0.0802 -0.0638 97 ALA D O ? ? 1 +13457 N N . GLN D 88 0.2101 0.8709 1.0358 -0.1661 -0.0731 -0.0597 98 GLN D N ? ? 1 +13458 C CA . GLN D 88 0.2160 0.8830 1.0537 -0.1746 -0.0733 -0.0647 98 GLN D CA ? ? 1 +13459 C CB . GLN D 88 0.2164 0.8950 1.0617 -0.1744 -0.0816 -0.0707 98 GLN D CB ? ? 1 +13460 C CG . GLN D 88 0.2059 0.8985 1.0569 -0.1680 -0.0850 -0.0700 98 GLN D CG ? ? 1 +13461 C CD . GLN D 88 0.2079 0.9079 1.0609 -0.1652 -0.0942 -0.0751 98 GLN D CD ? ? 1 +13462 O OE1 . GLN D 88 0.2158 0.9196 1.0754 -0.1704 -0.0980 -0.0808 98 GLN D OE1 ? ? 1 +13463 N NE2 . GLN D 88 0.2027 0.9043 1.0494 -0.1569 -0.0979 -0.0732 98 GLN D NE2 ? ? 1 +13464 C C . GLN D 88 0.2283 0.8809 1.0601 -0.1810 -0.0704 -0.0659 98 GLN D C ? ? 1 +13465 O O . GLN D 88 0.2354 0.8890 1.0719 -0.1866 -0.0736 -0.0713 98 GLN D O ? ? 1 +13466 N N . GLY D 89 0.2305 0.8695 1.0516 -0.1799 -0.0645 -0.0608 99 GLY D N ? ? 1 +13467 C CA . GLY D 89 0.2428 0.8670 1.0576 -0.1855 -0.0607 -0.0612 99 GLY D CA ? ? 1 +13468 C C . GLY D 89 0.2520 0.8635 1.0545 -0.1836 -0.0647 -0.0630 99 GLY D C ? ? 1 +13469 O O . GLY D 89 0.2630 0.8611 1.0592 -0.1879 -0.0620 -0.0635 99 GLY D O ? ? 1 +13470 N N . ASP D 90 0.2486 0.8636 1.0473 -0.1771 -0.0710 -0.0641 100 ASP D N ? ? 1 +13471 C CA . ASP D 90 0.2580 0.8606 1.0440 -0.1745 -0.0745 -0.0655 100 ASP D CA ? ? 1 +13472 C CB . ASP D 90 0.2560 0.8670 1.0432 -0.1706 -0.0828 -0.0695 100 ASP D CB ? ? 1 +13473 C CG . ASP D 90 0.2666 0.8653 1.0416 -0.1689 -0.0867 -0.0719 100 ASP D CG ? ? 1 +13474 O OD1 . ASP D 90 0.2687 0.8546 1.0310 -0.1648 -0.0839 -0.0682 100 ASP D OD1 ? ? 1 +13475 O OD2 . ASP D 90 0.2729 0.8747 1.0509 -0.1717 -0.0924 -0.0776 100 ASP D OD2 ? ? 1 +13476 C C . ASP D 90 0.2574 0.8479 1.0296 -0.1680 -0.0710 -0.0598 100 ASP D C ? ? 1 +13477 O O . ASP D 90 0.2480 0.8430 1.0178 -0.1610 -0.0718 -0.0566 100 ASP D O ? ? 1 +13478 N N . PHE D 91 0.2684 0.8432 1.0315 -0.1704 -0.0671 -0.0587 101 PHE D N ? ? 1 +13479 C CA . PHE D 91 0.2697 0.8324 1.0202 -0.1648 -0.0633 -0.0534 101 PHE D CA ? ? 1 +13480 C CB . PHE D 91 0.2836 0.8293 1.0260 -0.1692 -0.0592 -0.0533 101 PHE D CB ? ? 1 +13481 C CG . PHE D 91 0.2858 0.8184 1.0148 -0.1633 -0.0558 -0.0485 101 PHE D CG ? ? 1 +13482 C CD1 . PHE D 91 0.2809 0.8122 1.0090 -0.1612 -0.0502 -0.0430 101 PHE D CD1 ? ? 1 +13483 C CD2 . PHE D 91 0.2929 0.8149 1.0103 -0.1592 -0.0585 -0.0494 101 PHE D CD2 ? ? 1 +13484 C CE1 . PHE D 91 0.2823 0.8023 0.9986 -0.1554 -0.0475 -0.0387 101 PHE D CE1 ? ? 1 +13485 C CE2 . PHE D 91 0.2940 0.8049 0.9998 -0.1533 -0.0554 -0.0451 101 PHE D CE2 ? ? 1 +13486 C CZ . PHE D 91 0.2886 0.7988 0.9942 -0.1515 -0.0500 -0.0398 101 PHE D CZ ? ? 1 +13487 C C . PHE D 91 0.2682 0.8283 1.0091 -0.1568 -0.0676 -0.0530 101 PHE D C ? ? 1 +13488 O O . PHE D 91 0.2610 0.8198 0.9963 -0.1504 -0.0657 -0.0484 101 PHE D O ? ? 1 +13489 N N . THR D 92 0.2756 0.8347 1.0144 -0.1574 -0.0734 -0.0579 102 THR D N ? ? 1 +13490 C CA . THR D 92 0.2761 0.8319 1.0052 -0.1504 -0.0776 -0.0581 102 THR D CA ? ? 1 +13491 C CB . THR D 92 0.2858 0.8380 1.0122 -0.1529 -0.0833 -0.0641 102 THR D CB ? ? 1 +13492 O OG1 . THR D 92 0.2977 0.8362 1.0189 -0.1579 -0.0804 -0.0653 102 THR D OG1 ? ? 1 +13493 C CG2 . THR D 92 0.2867 0.8352 1.0027 -0.1459 -0.0875 -0.0645 102 THR D CG2 ? ? 1 +13494 C C . THR D 92 0.2651 0.8340 0.9985 -0.1445 -0.0800 -0.0562 102 THR D C ? ? 1 +13495 O O . THR D 92 0.2603 0.8264 0.9860 -0.1376 -0.0792 -0.0525 102 THR D O ? ? 1 +13496 N N . ARG D 93 0.2614 0.8446 1.0072 -0.1473 -0.0829 -0.0588 103 ARG D N ? ? 1 +13497 C CA . ARG D 93 0.2514 0.8472 1.0018 -0.1420 -0.0854 -0.0574 103 ARG D CA ? ? 1 +13498 C CB . ARG D 93 0.2525 0.8634 1.0172 -0.1460 -0.0891 -0.0614 103 ARG D CB ? ? 1 +13499 C CG . ARG D 93 0.2655 0.8768 1.0302 -0.1481 -0.0959 -0.0677 103 ARG D CG ? ? 1 +13500 C CD . ARG D 93 0.2675 0.8791 1.0241 -0.1407 -0.1016 -0.0683 103 ARG D CD ? ? 1 +13501 N NE . ARG D 93 0.2817 0.8919 1.0368 -0.1428 -0.1081 -0.0743 103 ARG D NE ? ? 1 +13502 C CZ . ARG D 93 0.2959 0.8931 1.0421 -0.1450 -0.1084 -0.0765 103 ARG D CZ ? ? 1 +13503 N NH1 . ARG D 93 0.3001 0.8838 1.0348 -0.1426 -0.1039 -0.0728 103 ARG D NH1 ? ? 1 +13504 N NH2 . ARG D 93 0.3060 0.9040 1.0550 -0.1495 -0.1136 -0.0825 103 ARG D NH2 ? ? 1 +13505 C C . ARG D 93 0.2388 0.8358 0.9890 -0.1385 -0.0797 -0.0512 103 ARG D C ? ? 1 +13506 O O . ARG D 93 0.2304 0.8302 0.9770 -0.1319 -0.0806 -0.0485 103 ARG D O ? ? 1 +13507 N N . TRP D 94 0.2372 0.8320 0.9915 -0.1432 -0.0740 -0.0493 104 TRP D N ? ? 1 +13508 C CA . TRP D 94 0.2280 0.8229 0.9820 -0.1407 -0.0684 -0.0437 104 TRP D CA ? ? 1 +13509 C CB . TRP D 94 0.2324 0.8228 0.9902 -0.1475 -0.0627 -0.0429 104 TRP D CB ? ? 1 +13510 C CG . TRP D 94 0.2255 0.8161 0.9838 -0.1462 -0.0568 -0.0375 104 TRP D CG ? ? 1 +13511 C CD1 . TRP D 94 0.2145 0.8170 0.9806 -0.1444 -0.0557 -0.0354 104 TRP D CD1 ? ? 1 +13512 N NE1 . TRP D 94 0.2124 0.8103 0.9758 -0.1437 -0.0498 -0.0306 104 TRP D NE1 ? ? 1 +13513 C CE2 . TRP D 94 0.2221 0.8051 0.9760 -0.1448 -0.0469 -0.0295 104 TRP D CE2 ? ? 1 +13514 C CZ2 . TRP D 94 0.2250 0.7981 0.9724 -0.1443 -0.0412 -0.0251 104 TRP D CZ2 ? ? 1 +13515 C CH2 . TRP D 94 0.2360 0.7942 0.9738 -0.1453 -0.0397 -0.0250 104 TRP D CH2 ? ? 1 +13516 C CZ3 . TRP D 94 0.2443 0.7971 0.9785 -0.1468 -0.0436 -0.0292 104 TRP D CZ3 ? ? 1 +13517 C CE3 . TRP D 94 0.2417 0.8042 0.9821 -0.1475 -0.0493 -0.0336 104 TRP D CE3 ? ? 1 +13518 C CD2 . TRP D 94 0.2304 0.8083 0.9808 -0.1464 -0.0511 -0.0338 104 TRP D CD2 ? ? 1 +13519 C C . TRP D 94 0.2272 0.8118 0.9683 -0.1341 -0.0668 -0.0397 104 TRP D C ? ? 1 +13520 O O . TRP D 94 0.2185 0.8064 0.9585 -0.1291 -0.0651 -0.0357 104 TRP D O ? ? 1 +13521 N N . CYS D 95 0.2366 0.8084 0.9681 -0.1343 -0.0673 -0.0411 105 CYS D N ? ? 1 +13522 C CA . CYS D 95 0.2372 0.7992 0.9564 -0.1281 -0.0663 -0.0382 105 CYS D CA ? ? 1 +13523 C CB . CYS D 95 0.2503 0.7978 0.9605 -0.1300 -0.0661 -0.0403 105 CYS D CB ? ? 1 +13524 S SG . CYS D 95 0.2578 0.7941 0.9665 -0.1354 -0.0595 -0.0382 105 CYS D SG ? ? 1 +13525 C C . CYS D 95 0.2307 0.7985 0.9472 -0.1216 -0.0706 -0.0383 105 CYS D C ? ? 1 +13526 O O . CYS D 95 0.2249 0.7927 0.9373 -0.1160 -0.0687 -0.0343 105 CYS D O ? ? 1 +13527 N N . GLN D 96 0.2329 0.8057 0.9517 -0.1225 -0.0763 -0.0428 106 GLN D N ? ? 1 +13528 C CA . GLN D 96 0.2288 0.8061 0.9441 -0.1166 -0.0808 -0.0434 106 GLN D CA ? ? 1 +13529 C CB . GLN D 96 0.2363 0.8157 0.9524 -0.1186 -0.0873 -0.0492 106 GLN D CB ? ? 1 +13530 C CG . GLN D 96 0.2503 0.8172 0.9590 -0.1216 -0.0882 -0.0524 106 GLN D CG ? ? 1 +13531 C CD . GLN D 96 0.2573 0.8284 0.9699 -0.1252 -0.0946 -0.0586 106 GLN D CD ? ? 1 +13532 O OE1 . GLN D 96 0.2556 0.8369 0.9798 -0.1298 -0.0963 -0.0611 106 GLN D OE1 ? ? 1 +13533 N NE2 . GLN D 96 0.2662 0.8297 0.9693 -0.1232 -0.0984 -0.0615 106 GLN D NE2 ? ? 1 +13534 C C . GLN D 96 0.2161 0.8062 0.9387 -0.1137 -0.0810 -0.0410 106 GLN D C ? ? 1 +13535 O O . GLN D 96 0.2123 0.8053 0.9312 -0.1081 -0.0835 -0.0402 106 GLN D O ? ? 1 +13536 N N . LEU D 97 0.2106 0.8083 0.9436 -0.1175 -0.0784 -0.0400 107 LEU D N ? ? 1 +13537 C CA . LEU D 97 0.1991 0.8090 0.9395 -0.1151 -0.0784 -0.0380 107 LEU D CA ? ? 1 +13538 C CB . LEU D 97 0.1974 0.8182 0.9514 -0.1208 -0.0790 -0.0406 107 LEU D CB ? ? 1 +13539 C CG . LEU D 97 0.2024 0.8291 0.9612 -0.1231 -0.0854 -0.0463 107 LEU D CG ? ? 1 +13540 C CD1 . LEU D 97 0.2000 0.8388 0.9739 -0.1292 -0.0854 -0.0490 107 LEU D CD1 ? ? 1 +13541 C CD2 . LEU D 97 0.1993 0.8307 0.9544 -0.1166 -0.0906 -0.0468 107 LEU D CD2 ? ? 1 +13542 C C . LEU D 97 0.1913 0.7992 0.9292 -0.1118 -0.0730 -0.0324 107 LEU D C ? ? 1 +13543 O O . LEU D 97 0.1820 0.7986 0.9241 -0.1089 -0.0728 -0.0302 107 LEU D O ? ? 1 +13544 N N . GLY D 98 0.1957 0.7919 0.9263 -0.1122 -0.0689 -0.0302 108 GLY D N ? ? 1 +13545 C CA . GLY D 98 0.1899 0.7830 0.9171 -0.1091 -0.0639 -0.0250 108 GLY D CA ? ? 1 +13546 C C . GLY D 98 0.1886 0.7819 0.9215 -0.1135 -0.0589 -0.0230 108 GLY D C ? ? 1 +13547 O O . GLY D 98 0.1826 0.7767 0.9152 -0.1111 -0.0553 -0.0189 108 GLY D O ? ? 1 +13548 N N . GLY D 99 0.1945 0.7869 0.9323 -0.1201 -0.0587 -0.0260 109 GLY D N ? ? 1 +13549 C CA . GLY D 99 0.1950 0.7872 0.9381 -0.1250 -0.0538 -0.0245 109 GLY D CA ? ? 1 +13550 C C . GLY D 99 0.1983 0.7784 0.9330 -0.1238 -0.0487 -0.0205 109 GLY D C ? ? 1 +13551 O O . GLY D 99 0.1957 0.7763 0.9328 -0.1250 -0.0443 -0.0174 109 GLY D O ? ? 1 +13552 N N . LEU D 100 0.2045 0.7734 0.9289 -0.1213 -0.0494 -0.0206 110 LEU D N ? ? 1 +13553 C CA . LEU D 100 0.2082 0.7656 0.9242 -0.1193 -0.0450 -0.0169 110 LEU D CA ? ? 1 +13554 C CB . LEU D 100 0.2175 0.7631 0.9227 -0.1166 -0.0464 -0.0180 110 LEU D CB ? ? 1 +13555 C CG . LEU D 100 0.2306 0.7675 0.9337 -0.1221 -0.0471 -0.0218 110 LEU D CG ? ? 1 +13556 C CD1 . LEU D 100 0.2391 0.7630 0.9304 -0.1186 -0.0473 -0.0219 110 LEU D CD1 ? ? 1 +13557 C CD2 . LEU D 100 0.2367 0.7693 0.9429 -0.1283 -0.0425 -0.0210 110 LEU D CD2 ? ? 1 +13558 C C . LEU D 100 0.1971 0.7581 0.9121 -0.1138 -0.0427 -0.0122 110 LEU D C ? ? 1 +13559 O O . LEU D 100 0.1985 0.7531 0.9098 -0.1133 -0.0384 -0.0089 110 LEU D O ? ? 1 +13560 N N . TRP D 101 0.1863 0.7574 0.9045 -0.1100 -0.0455 -0.0121 111 TRP D N ? ? 1 +13561 C CA . TRP D 101 0.1769 0.7519 0.8946 -0.1051 -0.0436 -0.0079 111 TRP D CA ? ? 1 +13562 C CB . TRP D 101 0.1681 0.7522 0.8873 -0.1006 -0.0473 -0.0083 111 TRP D CB ? ? 1 +13563 C CG . TRP D 101 0.1603 0.7460 0.8772 -0.0953 -0.0452 -0.0042 111 TRP D CG ? ? 1 +13564 C CD1 . TRP D 101 0.1602 0.7401 0.8690 -0.0902 -0.0447 -0.0023 111 TRP D CD1 ? ? 1 +13565 N NE1 . TRP D 101 0.1522 0.7360 0.8617 -0.0868 -0.0427 0.0013 111 TRP D NE1 ? ? 1 +13566 C CE2 . TRP D 101 0.1472 0.7390 0.8647 -0.0895 -0.0417 0.0018 111 TRP D CE2 ? ? 1 +13567 C CZ2 . TRP D 101 0.1393 0.7370 0.8600 -0.0877 -0.0398 0.0048 111 TRP D CZ2 ? ? 1 +13568 C CH2 . TRP D 101 0.1363 0.7415 0.8651 -0.0912 -0.0389 0.0045 111 TRP D CH2 ? ? 1 +13569 C CZ3 . TRP D 101 0.1403 0.7478 0.8747 -0.0965 -0.0401 0.0013 111 TRP D CZ3 ? ? 1 +13570 C CE3 . TRP D 101 0.1480 0.7499 0.8796 -0.0985 -0.0423 -0.0018 111 TRP D CE3 ? ? 1 +13571 C CD2 . TRP D 101 0.1519 0.7453 0.8744 -0.0949 -0.0431 -0.0015 111 TRP D CD2 ? ? 1 +13572 C C . TRP D 101 0.1726 0.7524 0.8967 -0.1078 -0.0398 -0.0056 111 TRP D C ? ? 1 +13573 O O . TRP D 101 0.1713 0.7468 0.8917 -0.1057 -0.0362 -0.0019 111 TRP D O ? ? 1 +13574 N N . THR D 102 0.1699 0.7590 0.9037 -0.1121 -0.0408 -0.0079 112 THR D N ? ? 1 +13575 C CA . THR D 102 0.1664 0.7604 0.9068 -0.1151 -0.0370 -0.0060 112 THR D CA ? ? 1 +13576 C CB . THR D 102 0.1623 0.7692 0.9143 -0.1186 -0.0391 -0.0090 112 THR D CB ? ? 1 +13577 O OG1 . THR D 102 0.1696 0.7753 0.9241 -0.1233 -0.0416 -0.0134 112 THR D OG1 ? ? 1 +13578 C CG2 . THR D 102 0.1527 0.7698 0.9075 -0.1137 -0.0428 -0.0091 112 THR D CG2 ? ? 1 +13579 C C . THR D 102 0.1758 0.7593 0.9129 -0.1194 -0.0325 -0.0050 112 THR D C ? ? 1 +13580 O O . THR D 102 0.1745 0.7562 0.9110 -0.1194 -0.0283 -0.0016 112 THR D O ? ? 1 +13581 N N . PHE D 103 0.1860 0.7620 0.9206 -0.1231 -0.0335 -0.0079 113 PHE D N ? ? 1 +13582 C CA . PHE D 103 0.1974 0.7611 0.9269 -0.1268 -0.0294 -0.0071 113 PHE D CA ? ? 1 +13583 C CB . PHE D 103 0.2078 0.7634 0.9335 -0.1297 -0.0318 -0.0109 113 PHE D CB ? ? 1 +13584 C CG . PHE D 103 0.2210 0.7632 0.9416 -0.1344 -0.0279 -0.0107 113 PHE D CG ? ? 1 +13585 C CD1 . PHE D 103 0.2266 0.7701 0.9540 -0.1420 -0.0255 -0.0126 113 PHE D CD1 ? ? 1 +13586 C CD2 . PHE D 103 0.2283 0.7568 0.9375 -0.1311 -0.0263 -0.0086 113 PHE D CD2 ? ? 1 +13587 C CE1 . PHE D 103 0.2395 0.7696 0.9614 -0.1464 -0.0216 -0.0123 113 PHE D CE1 ? ? 1 +13588 C CE2 . PHE D 103 0.2411 0.7565 0.9448 -0.1351 -0.0226 -0.0083 113 PHE D CE2 ? ? 1 +13589 C CZ . PHE D 103 0.2468 0.7627 0.9567 -0.1428 -0.0203 -0.0100 113 PHE D CZ ? ? 1 +13590 C C . PHE D 103 0.1986 0.7531 0.9186 -0.1218 -0.0263 -0.0025 113 PHE D C ? ? 1 +13591 O O . PHE D 103 0.2006 0.7517 0.9198 -0.1231 -0.0219 0.0004 113 PHE D O ? ? 1 +13592 N N . ILE D 104 0.1977 0.7487 0.9107 -0.1159 -0.0287 -0.0019 114 ILE D N ? ? 1 +13593 C CA . ILE D 104 0.1984 0.7417 0.9030 -0.1107 -0.0263 0.0021 114 ILE D CA ? ? 1 +13594 C CB . ILE D 104 0.1985 0.7379 0.8960 -0.1051 -0.0293 0.0016 114 ILE D CB ? ? 1 +13595 C CG1 . ILE D 104 0.2099 0.7397 0.9024 -0.1075 -0.0307 -0.0017 114 ILE D CG1 ? ? 1 +13596 C CG2 . ILE D 104 0.1979 0.7316 0.8881 -0.0992 -0.0270 0.0057 114 ILE D CG2 ? ? 1 +13597 C CD1 . ILE D 104 0.2097 0.7380 0.8969 -0.1027 -0.0342 -0.0032 114 ILE D CD1 ? ? 1 +13598 C C . ILE D 104 0.1891 0.7397 0.8968 -0.1080 -0.0243 0.0057 114 ILE D C ? ? 1 +13599 O O . ILE D 104 0.1920 0.7367 0.8960 -0.1075 -0.0206 0.0089 114 ILE D O ? ? 1 +13600 N N . ALA D 105 0.1789 0.7419 0.8931 -0.1062 -0.0269 0.0051 115 ALA D N ? ? 1 +13601 C CA . ALA D 105 0.1710 0.7408 0.8877 -0.1033 -0.0253 0.0084 115 ALA D CA ? ? 1 +13602 C CB . ALA D 105 0.1602 0.7427 0.8834 -0.1013 -0.0288 0.0070 115 ALA D CB ? ? 1 +13603 C C . ALA D 105 0.1743 0.7446 0.8949 -0.1075 -0.0211 0.0100 115 ALA D C ? ? 1 +13604 O O . ALA D 105 0.1731 0.7408 0.8905 -0.1052 -0.0181 0.0135 115 ALA D O ? ? 1 +13605 N N . LEU D 106 0.1798 0.7534 0.9071 -0.1136 -0.0207 0.0072 116 LEU D N ? ? 1 +13606 C CA . LEU D 106 0.1832 0.7582 0.9150 -0.1181 -0.0164 0.0084 116 LEU D CA ? ? 1 +13607 C CB . LEU D 106 0.1828 0.7669 0.9252 -0.1240 -0.0176 0.0045 116 LEU D CB ? ? 1 +13608 C CG . LEU D 106 0.1720 0.7702 0.9224 -0.1218 -0.0216 0.0027 116 LEU D CG ? ? 1 +13609 C CD1 . LEU D 106 0.1728 0.7798 0.9341 -0.1278 -0.0227 -0.0014 116 LEU D CD1 ? ? 1 +13610 C CD2 . LEU D 106 0.1634 0.7680 0.9153 -0.1181 -0.0199 0.0060 116 LEU D CD2 ? ? 1 +13611 C C . LEU D 106 0.1967 0.7578 0.9210 -0.1205 -0.0120 0.0103 116 LEU D C ? ? 1 +13612 O O . LEU D 106 0.1987 0.7577 0.9214 -0.1205 -0.0080 0.0135 116 LEU D O ? ? 1 +13613 N N . HIS D 107 0.2080 0.7593 0.9271 -0.1222 -0.0128 0.0085 117 HIS D N ? ? 1 +13614 C CA . HIS D 107 0.2223 0.7589 0.9327 -0.1236 -0.0089 0.0104 117 HIS D CA ? ? 1 +13615 C CB . HIS D 107 0.2323 0.7592 0.9385 -0.1265 -0.0101 0.0074 117 HIS D CB ? ? 1 +13616 C CG . HIS D 107 0.2360 0.7664 0.9501 -0.1344 -0.0101 0.0035 117 HIS D CG ? ? 1 +13617 N ND1 . HIS D 107 0.2465 0.7687 0.9596 -0.1405 -0.0056 0.0036 117 HIS D ND1 ? ? 1 +13618 C CE1 . HIS D 107 0.2468 0.7756 0.9688 -0.1467 -0.0068 -0.0004 117 HIS D CE1 ? ? 1 +13619 N NE2 . HIS D 107 0.2373 0.7779 0.9656 -0.1445 -0.0120 -0.0030 117 HIS D NE2 ? ? 1 +13620 C CD2 . HIS D 107 0.2300 0.7715 0.9532 -0.1368 -0.0139 -0.0005 117 HIS D CD2 ? ? 1 +13621 C C . HIS D 107 0.2251 0.7557 0.9267 -0.1168 -0.0080 0.0146 117 HIS D C ? ? 1 +13622 O O . HIS D 107 0.2322 0.7553 0.9286 -0.1167 -0.0040 0.0177 117 HIS D O ? ? 1 +13623 N N . GLY D 108 0.2217 0.7557 0.9214 -0.1109 -0.0117 0.0145 118 GLY D N ? ? 1 +13624 C CA . GLY D 108 0.2231 0.7537 0.9161 -0.1043 -0.0112 0.0180 118 GLY D CA ? ? 1 +13625 C C . GLY D 108 0.2209 0.7568 0.9163 -0.1032 -0.0087 0.0212 118 GLY D C ? ? 1 +13626 O O . GLY D 108 0.2261 0.7549 0.9148 -0.1003 -0.0062 0.0245 118 GLY D O ? ? 1 +13627 N N . ALA D 109 0.2155 0.7639 0.9202 -0.1052 -0.0093 0.0202 119 ALA D N ? ? 1 +13628 C CA . ALA D 109 0.2128 0.7671 0.9203 -0.1042 -0.0070 0.0229 119 ALA D CA ? ? 1 +13629 C CB . ALA D 109 0.2030 0.7716 0.9212 -0.1061 -0.0086 0.0210 119 ALA D CB ? ? 1 +13630 C C . ALA D 109 0.2261 0.7722 0.9303 -0.1079 -0.0019 0.0250 119 ALA D C ? ? 1 +13631 O O . ALA D 109 0.2292 0.7710 0.9280 -0.1048 0.0004 0.0284 119 ALA D O ? ? 1 +13632 N N . PHE D 110 0.2365 0.7802 0.9439 -0.1145 -0.0001 0.0228 120 PHE D N ? ? 1 +13633 C CA . PHE D 110 0.2492 0.7844 0.9534 -0.1187 0.0052 0.0246 120 PHE D CA ? ? 1 +13634 C CB . PHE D 110 0.2583 0.7953 0.9696 -0.1268 0.0066 0.0212 120 PHE D CB ? ? 1 +13635 C CG . PHE D 110 0.2549 0.8069 0.9780 -0.1293 0.0065 0.0197 120 PHE D CG ? ? 1 +13636 C CD1 . PHE D 110 0.2571 0.8119 0.9821 -0.1303 0.0108 0.0222 120 PHE D CD1 ? ? 1 +13637 C CD2 . PHE D 110 0.2514 0.8148 0.9835 -0.1301 0.0022 0.0160 120 PHE D CD2 ? ? 1 +13638 C CE1 . PHE D 110 0.2511 0.8198 0.9870 -0.1323 0.0108 0.0208 120 PHE D CE1 ? ? 1 +13639 C CE2 . PHE D 110 0.2446 0.8220 0.9876 -0.1320 0.0020 0.0146 120 PHE D CE2 ? ? 1 +13640 C CZ . PHE D 110 0.2452 0.8253 0.9902 -0.1330 0.0064 0.0170 120 PHE D CZ ? ? 1 +13641 C C . PHE D 110 0.2578 0.7769 0.9495 -0.1163 0.0069 0.0270 120 PHE D C ? ? 1 +13642 O O . PHE D 110 0.2631 0.7746 0.9491 -0.1166 0.0110 0.0300 120 PHE D O ? ? 1 +13643 N N . GLY D 111 0.2597 0.7733 0.9469 -0.1139 0.0038 0.0255 121 GLY D N ? ? 1 +13644 C CA . GLY D 111 0.2690 0.7683 0.9445 -0.1102 0.0046 0.0277 121 GLY D CA ? ? 1 +13645 C C . GLY D 111 0.2638 0.7624 0.9339 -0.1035 0.0050 0.0316 121 GLY D C ? ? 1 +13646 O O . GLY D 111 0.2726 0.7597 0.9337 -0.1019 0.0077 0.0344 121 GLY D O ? ? 1 +13647 N N . LEU D 112 0.2502 0.7609 0.9256 -0.0996 0.0021 0.0316 122 LEU D N ? ? 1 +13648 C CA . LEU D 112 0.2452 0.7573 0.9170 -0.0935 0.0019 0.0349 122 LEU D CA ? ? 1 +13649 C CB . LEU D 112 0.2303 0.7557 0.9086 -0.0899 -0.0019 0.0338 122 LEU D CB ? ? 1 +13650 C CG . LEU D 112 0.2281 0.7533 0.9047 -0.0862 -0.0058 0.0320 122 LEU D CG ? ? 1 +13651 C CD1 . LEU D 112 0.2152 0.7534 0.8984 -0.0836 -0.0090 0.0311 122 LEU D CD1 ? ? 1 +13652 C CD2 . LEU D 112 0.2336 0.7494 0.9009 -0.0806 -0.0058 0.0342 122 LEU D CD2 ? ? 1 +13653 C C . LEU D 112 0.2473 0.7589 0.9185 -0.0951 0.0059 0.0377 122 LEU D C ? ? 1 +13654 O O . LEU D 112 0.2521 0.7570 0.9157 -0.0912 0.0073 0.0408 122 LEU D O ? ? 1 +13655 N N . ILE D 113 0.2440 0.7625 0.9230 -0.1008 0.0078 0.0364 123 ILE D N ? ? 1 +13656 C CA . ILE D 113 0.2462 0.7633 0.9246 -0.1034 0.0123 0.0387 123 ILE D CA ? ? 1 +13657 C CB . ILE D 113 0.2431 0.7705 0.9326 -0.1098 0.0138 0.0363 123 ILE D CB ? ? 1 +13658 C CG1 . ILE D 113 0.2288 0.7718 0.9274 -0.1073 0.0102 0.0349 123 ILE D CG1 ? ? 1 +13659 C CG2 . ILE D 113 0.2499 0.7741 0.9386 -0.1137 0.0194 0.0383 123 ILE D CG2 ? ? 1 +13660 C CD1 . ILE D 113 0.2249 0.7789 0.9348 -0.1127 0.0107 0.0321 123 ILE D CD1 ? ? 1 +13661 C C . ILE D 113 0.2597 0.7604 0.9278 -0.1048 0.0161 0.0406 123 ILE D C ? ? 1 +13662 O O . ILE D 113 0.2636 0.7579 0.9245 -0.1024 0.0186 0.0440 123 ILE D O ? ? 1 +13663 N N . GLY D 114 0.2662 0.7598 0.9332 -0.1088 0.0163 0.0384 124 GLY D N ? ? 1 +13664 C CA . GLY D 114 0.2807 0.7577 0.9375 -0.1105 0.0197 0.0399 124 GLY D CA ? ? 1 +13665 C C . GLY D 114 0.2846 0.7513 0.9298 -0.1032 0.0189 0.0430 124 GLY D C ? ? 1 +13666 O O . GLY D 114 0.2938 0.7492 0.9301 -0.1027 0.0223 0.0460 124 GLY D O ? ? 1 +13667 N N . PHE D 115 0.2771 0.7476 0.9223 -0.0975 0.0142 0.0422 125 PHE D N ? ? 1 +13668 C CA . PHE D 115 0.2810 0.7435 0.9165 -0.0903 0.0129 0.0447 125 PHE D CA ? ? 1 +13669 C CB . PHE D 115 0.2726 0.7406 0.9101 -0.0852 0.0080 0.0429 125 PHE D CB ? ? 1 +13670 C CG . PHE D 115 0.2792 0.7373 0.9067 -0.0785 0.0068 0.0447 125 PHE D CG ? ? 1 +13671 C CD1 . PHE D 115 0.2926 0.7371 0.9124 -0.0786 0.0075 0.0442 125 PHE D CD1 ? ? 1 +13672 C CD2 . PHE D 115 0.2731 0.7354 0.8991 -0.0719 0.0051 0.0468 125 PHE D CD2 ? ? 1 +13673 C CE1 . PHE D 115 0.2997 0.7353 0.9104 -0.0719 0.0063 0.0457 125 PHE D CE1 ? ? 1 +13674 C CE2 . PHE D 115 0.2789 0.7329 0.8965 -0.0655 0.0038 0.0482 125 PHE D CE2 ? ? 1 +13675 C CZ . PHE D 115 0.2920 0.7328 0.9020 -0.0653 0.0044 0.0477 125 PHE D CZ ? ? 1 +13676 C C . PHE D 115 0.2773 0.7417 0.9100 -0.0865 0.0141 0.0481 125 PHE D C ? ? 1 +13677 O O . PHE D 115 0.2858 0.7391 0.9086 -0.0833 0.0157 0.0510 125 PHE D O ? ? 1 +13678 N N . MET D 116 0.2650 0.7433 0.9064 -0.0868 0.0133 0.0478 126 MET D N ? ? 1 +13679 C CA . MET D 116 0.2636 0.7444 0.9029 -0.0838 0.0144 0.0508 126 MET D CA ? ? 1 +13680 C CB . MET D 116 0.2502 0.7475 0.9001 -0.0837 0.0125 0.0497 126 MET D CB ? ? 1 +13681 C CG . MET D 116 0.2484 0.7488 0.8961 -0.0797 0.0129 0.0524 126 MET D CG ? ? 1 +13682 S SD . MET D 116 0.2337 0.7518 0.8915 -0.0770 0.0091 0.0511 126 MET D SD ? ? 1 +13683 C CE . MET D 116 0.2329 0.7511 0.8865 -0.0741 0.0109 0.0545 126 MET D CE ? ? 1 +13684 C C . MET D 116 0.2752 0.7472 0.9093 -0.0876 0.0198 0.0531 126 MET D C ? ? 1 +13685 O O . MET D 116 0.2806 0.7464 0.9067 -0.0839 0.0210 0.0562 126 MET D O ? ? 1 +13686 N N . LEU D 117 0.2784 0.7496 0.9167 -0.0950 0.0229 0.0514 127 LEU D N ? ? 1 +13687 C CA . LEU D 117 0.2909 0.7526 0.9238 -0.0993 0.0286 0.0534 127 LEU D CA ? ? 1 +13688 C CB . LEU D 117 0.2924 0.7573 0.9334 -0.1081 0.0317 0.0508 127 LEU D CB ? ? 1 +13689 C CG . LEU D 117 0.2792 0.7611 0.9333 -0.1110 0.0315 0.0490 127 LEU D CG ? ? 1 +13690 C CD1 . LEU D 117 0.2808 0.7664 0.9436 -0.1192 0.0335 0.0457 127 LEU D CD1 ? ? 1 +13691 C CD2 . LEU D 117 0.2795 0.7630 0.9319 -0.1104 0.0350 0.0518 127 LEU D CD2 ? ? 1 +13692 C C . LEU D 117 0.3076 0.7509 0.9268 -0.0972 0.0300 0.0556 127 LEU D C ? ? 1 +13693 O O . LEU D 117 0.3177 0.7514 0.9281 -0.0966 0.0336 0.0587 127 LEU D O ? ? 1 +13694 N N . ARG D 118 0.3114 0.7496 0.9284 -0.0959 0.0273 0.0538 128 ARG D N ? ? 1 +13695 C CA . ARG D 118 0.3270 0.7482 0.9311 -0.0927 0.0278 0.0556 128 ARG D CA ? ? 1 +13696 C CB . ARG D 118 0.3277 0.7467 0.9323 -0.0917 0.0244 0.0528 128 ARG D CB ? ? 1 +13697 C CG . ARG D 118 0.3427 0.7446 0.9343 -0.0877 0.0244 0.0542 128 ARG D CG ? ? 1 +13698 C CD . ARG D 118 0.3419 0.7435 0.9352 -0.0867 0.0209 0.0511 128 ARG D CD ? ? 1 +13699 N NE . ARG D 118 0.3580 0.7427 0.9390 -0.0832 0.0212 0.0522 128 ARG D NE ? ? 1 +13700 C CZ . ARG D 118 0.3753 0.7459 0.9499 -0.0877 0.0242 0.0517 128 ARG D CZ ? ? 1 +13701 N NH1 . ARG D 118 0.3808 0.7512 0.9597 -0.0963 0.0278 0.0505 128 ARG D NH1 ? ? 1 +13702 N NH2 . ARG D 118 0.3891 0.7451 0.9526 -0.0834 0.0238 0.0526 128 ARG D NH2 ? ? 1 +13703 C C . ARG D 118 0.3286 0.7458 0.9240 -0.0845 0.0263 0.0589 128 ARG D C ? ? 1 +13704 O O . ARG D 118 0.3433 0.7460 0.9270 -0.0828 0.0288 0.0617 128 ARG D O ? ? 1 +13705 N N A GLN D 119 0.3146 0.7445 0.9157 -0.0795 0.0222 0.0586 129 GLN D N ? ? 1 +13706 N N B GLN D 119 0.3148 0.7447 0.9160 -0.0795 0.0222 0.0585 129 GLN D N ? ? 1 +13707 C CA A GLN D 119 0.3146 0.7431 0.9093 -0.0718 0.0202 0.0612 129 GLN D CA ? ? 1 +13708 C CA B GLN D 119 0.3149 0.7435 0.9096 -0.0718 0.0202 0.0612 129 GLN D CA ? ? 1 +13709 C C A GLN D 119 0.3210 0.7460 0.9107 -0.0725 0.0239 0.0644 129 GLN D C ? ? 1 +13710 C C B GLN D 119 0.3212 0.7462 0.9109 -0.0725 0.0239 0.0643 129 GLN D C ? ? 1 +13711 O O A GLN D 119 0.3314 0.7453 0.9098 -0.0681 0.0245 0.0672 129 GLN D O ? ? 1 +13712 O O B GLN D 119 0.3321 0.7461 0.9106 -0.0681 0.0245 0.0672 129 GLN D O ? ? 1 +13713 C CB A GLN D 119 0.2971 0.7412 0.9005 -0.0676 0.0155 0.0598 129 GLN D CB ? ? 1 +13714 C CB B GLN D 119 0.2977 0.7420 0.9012 -0.0677 0.0155 0.0598 129 GLN D CB ? ? 1 +13715 C CG A GLN D 119 0.2925 0.7391 0.8990 -0.0655 0.0117 0.0571 129 GLN D CG ? ? 1 +13716 C CG B GLN D 119 0.2932 0.7398 0.8997 -0.0656 0.0117 0.0571 129 GLN D CG ? ? 1 +13717 C CD A GLN D 119 0.2757 0.7382 0.8919 -0.0632 0.0079 0.0554 129 GLN D CD ? ? 1 +13718 C CD B GLN D 119 0.2765 0.7391 0.8928 -0.0632 0.0079 0.0554 129 GLN D CD ? ? 1 +13719 O OE1 A GLN D 119 0.2658 0.7395 0.8909 -0.0669 0.0082 0.0543 129 GLN D OE1 ? ? 1 +13720 O OE1 B GLN D 119 0.2667 0.7405 0.8919 -0.0669 0.0082 0.0543 129 GLN D OE1 ? ? 1 +13721 N NE2 A GLN D 119 0.2725 0.7365 0.8874 -0.0569 0.0042 0.0551 129 GLN D NE2 ? ? 1 +13722 N NE2 B GLN D 119 0.2734 0.7375 0.8884 -0.0569 0.0042 0.0551 129 GLN D NE2 ? ? 1 +13723 N N . PHE D 120 0.3153 0.7495 0.9132 -0.0780 0.0264 0.0637 130 PHE D N ? ? 1 +13724 C CA . PHE D 120 0.3221 0.7531 0.9158 -0.0797 0.0307 0.0664 130 PHE D CA ? ? 1 +13725 C CB . PHE D 120 0.3119 0.7561 0.9173 -0.0855 0.0328 0.0648 130 PHE D CB ? ? 1 +13726 C CG . PHE D 120 0.2961 0.7555 0.9091 -0.0820 0.0295 0.0644 130 PHE D CG ? ? 1 +13727 C CD1 . PHE D 120 0.2973 0.7560 0.9045 -0.0772 0.0294 0.0671 130 PHE D CD1 ? ? 1 +13728 C CD2 . PHE D 120 0.2817 0.7556 0.9071 -0.0836 0.0266 0.0612 130 PHE D CD2 ? ? 1 +13729 C CE1 . PHE D 120 0.2832 0.7555 0.8973 -0.0743 0.0265 0.0666 130 PHE D CE1 ? ? 1 +13730 C CE2 . PHE D 120 0.2678 0.7548 0.8997 -0.0805 0.0238 0.0609 130 PHE D CE2 ? ? 1 +13731 C CZ . PHE D 120 0.2685 0.7547 0.8948 -0.0760 0.0239 0.0636 130 PHE D CZ ? ? 1 +13732 C C . PHE D 120 0.3428 0.7561 0.9253 -0.0828 0.0357 0.0684 130 PHE D C ? ? 1 +13733 O O . PHE D 120 0.3530 0.7570 0.9251 -0.0801 0.0379 0.0716 130 PHE D O ? ? 1 +13734 N N . GLU D 121 0.3511 0.7594 0.9354 -0.0885 0.0375 0.0663 131 GLU D N ? ? 1 +13735 C CA . GLU D 121 0.3730 0.7644 0.9475 -0.0926 0.0427 0.0679 131 GLU D CA ? ? 1 +13736 C CB . GLU D 121 0.3751 0.7658 0.9558 -0.1000 0.0441 0.0646 131 GLU D CB ? ? 1 +13737 C CG . GLU D 121 0.3935 0.7699 0.9673 -0.1066 0.0506 0.0657 131 GLU D CG ? ? 1 +13738 C CD . GLU D 121 0.3961 0.7728 0.9772 -0.1149 0.0523 0.0622 131 GLU D CD ? ? 1 +13739 O OE1 . GLU D 121 0.3878 0.7734 0.9773 -0.1148 0.0479 0.0588 131 GLU D OE1 ? ? 1 +13740 O OE2 . GLU D 121 0.4068 0.7750 0.9851 -0.1217 0.0582 0.0627 131 GLU D OE2 ? ? 1 +13741 C C . GLU D 121 0.3910 0.7658 0.9503 -0.0863 0.0419 0.0706 131 GLU D C ? ? 1 +13742 O O . GLU D 121 0.4055 0.7676 0.9534 -0.0857 0.0455 0.0738 131 GLU D O ? ? 1 +13743 N N . ILE D 122 0.3932 0.7679 0.9521 -0.0812 0.0370 0.0692 132 ILE D N ? ? 1 +13744 C CA . ILE D 122 0.4096 0.7697 0.9550 -0.0745 0.0356 0.0714 132 ILE D CA ? ? 1 +13745 C CB . ILE D 122 0.4076 0.7694 0.9554 -0.0708 0.0307 0.0689 132 ILE D CB ? ? 1 +13746 C CG1 . ILE D 122 0.4123 0.7707 0.9639 -0.0779 0.0325 0.0660 132 ILE D CG1 ? ? 1 +13747 C CG2 . ILE D 122 0.4203 0.7689 0.9550 -0.0625 0.0285 0.0710 132 ILE D CG2 ? ? 1 +13748 C CD1 . ILE D 122 0.4072 0.7692 0.9626 -0.0750 0.0278 0.0631 132 ILE D CD1 ? ? 1 +13749 C C . ILE D 122 0.4116 0.7713 0.9501 -0.0673 0.0341 0.0746 132 ILE D C ? ? 1 +13750 O O . ILE D 122 0.4271 0.7716 0.9520 -0.0638 0.0355 0.0775 132 ILE D O ? ? 1 +13751 N N A ALA D 123 0.3964 0.7725 0.9442 -0.0652 0.0312 0.0739 133 ALA D N ? ? 1 +13752 N N B ALA D 123 0.3963 0.7723 0.9440 -0.0652 0.0312 0.0739 133 ALA D N ? ? 1 +13753 C CA A ALA D 123 0.3968 0.7740 0.9393 -0.0589 0.0296 0.0766 133 ALA D CA ? ? 1 +13754 C CA B ALA D 123 0.3965 0.7738 0.9390 -0.0589 0.0296 0.0765 133 ALA D CA ? ? 1 +13755 C C A ALA D 123 0.4119 0.7791 0.9452 -0.0613 0.0349 0.0797 133 ALA D C ? ? 1 +13756 C C B ALA D 123 0.4120 0.7792 0.9454 -0.0613 0.0349 0.0797 133 ALA D C ? ? 1 +13757 O O A ALA D 123 0.4228 0.7805 0.9444 -0.0557 0.0346 0.0827 133 ALA D O ? ? 1 +13758 O O B ALA D 123 0.4232 0.7809 0.9448 -0.0557 0.0346 0.0827 133 ALA D O ? ? 1 +13759 C CB A ALA D 123 0.3762 0.7729 0.9311 -0.0577 0.0263 0.0750 133 ALA D CB ? ? 1 +13760 C CB B ALA D 123 0.3754 0.7722 0.9304 -0.0577 0.0263 0.0749 133 ALA D CB ? ? 1 +13761 N N . ARG D 124 0.4135 0.7829 0.9522 -0.0695 0.0399 0.0791 134 ARG D N ? ? 1 +13762 C CA . ARG D 124 0.4279 0.7884 0.9589 -0.0728 0.0457 0.0818 134 ARG D CA ? ? 1 +13763 C CB . ARG D 124 0.4240 0.7934 0.9661 -0.0820 0.0502 0.0800 134 ARG D CB ? ? 1 +13764 C CG . ARG D 124 0.4351 0.7983 0.9715 -0.0859 0.0567 0.0825 134 ARG D CG ? ? 1 +13765 C CD . ARG D 124 0.4327 0.8006 0.9657 -0.0803 0.0554 0.0848 134 ARG D CD ? ? 1 +13766 N NE . ARG D 124 0.4475 0.8005 0.9643 -0.0733 0.0543 0.0881 134 ARG D NE ? ? 1 +13767 C CZ . ARG D 124 0.4526 0.8048 0.9625 -0.0682 0.0535 0.0906 134 ARG D CZ ? ? 1 +13768 N NH1 . ARG D 124 0.4445 0.8080 0.9608 -0.0699 0.0549 0.0905 134 ARG D NH1 ? ? 1 +13769 N NH2 . ARG D 124 0.4674 0.8072 0.9634 -0.0609 0.0511 0.0931 134 ARG D NH2 ? ? 1 +13770 C C . ARG D 124 0.4527 0.7914 0.9680 -0.0727 0.0492 0.0844 134 ARG D C ? ? 1 +13771 O O . ARG D 124 0.4661 0.7939 0.9694 -0.0707 0.0519 0.0877 134 ARG D O ? ? 1 +13772 N N . LEU D 125 0.4621 0.7936 0.9766 -0.0746 0.0489 0.0828 135 LEU D N ? ? 1 +13773 C CA . LEU D 125 0.4872 0.7973 0.9868 -0.0749 0.0523 0.0849 135 LEU D CA ? ? 1 +13774 C CB . LEU D 125 0.4930 0.7992 0.9966 -0.0806 0.0533 0.0821 135 LEU D CB ? ? 1 +13775 C CG . LEU D 125 0.4882 0.8043 1.0049 -0.0908 0.0570 0.0793 135 LEU D CG ? ? 1 +13776 C CD1 . LEU D 125 0.4947 0.8053 1.0137 -0.0958 0.0575 0.0765 135 LEU D CD1 ? ? 1 +13777 C CD2 . LEU D 125 0.4988 0.8090 1.0116 -0.0967 0.0641 0.0814 135 LEU D CD2 ? ? 1 +13778 C C . LEU D 125 0.4967 0.7960 0.9831 -0.0650 0.0483 0.0873 135 LEU D C ? ? 1 +13779 O O . LEU D 125 0.5169 0.7991 0.9882 -0.0629 0.0511 0.0906 135 LEU D O ? ? 1 +13780 N N A VAL D 126 0.4822 0.7919 0.9747 -0.0588 0.0419 0.0855 136 VAL D N ? ? 1 +13781 N N B VAL D 126 0.4852 0.7948 0.9776 -0.0588 0.0419 0.0855 136 VAL D N ? ? 1 +13782 C CA A VAL D 126 0.4871 0.7898 0.9696 -0.0490 0.0374 0.0872 136 VAL D CA ? ? 1 +13783 C CA B VAL D 126 0.4922 0.7947 0.9746 -0.0490 0.0375 0.0872 136 VAL D CA ? ? 1 +13784 C C A VAL D 126 0.4843 0.7902 0.9624 -0.0435 0.0361 0.0898 136 VAL D C ? ? 1 +13785 C C B VAL D 126 0.4908 0.7965 0.9687 -0.0436 0.0361 0.0898 136 VAL D C ? ? 1 +13786 O O A VAL D 126 0.4969 0.7919 0.9624 -0.0364 0.0342 0.0922 136 VAL D O ? ? 1 +13787 O O B VAL D 126 0.5041 0.7989 0.9695 -0.0364 0.0343 0.0922 136 VAL D O ? ? 1 +13788 C CB A VAL D 126 0.4742 0.7875 0.9657 -0.0450 0.0315 0.0841 136 VAL D CB ? ? 1 +13789 C CB B VAL D 126 0.4807 0.7936 0.9720 -0.0450 0.0316 0.0841 136 VAL D CB ? ? 1 +13790 C CG1 A VAL D 126 0.4748 0.7883 0.9609 -0.0346 0.0261 0.0852 136 VAL D CG1 ? ? 1 +13791 C CG1 B VAL D 126 0.4832 0.7958 0.9688 -0.0346 0.0262 0.0852 136 VAL D CG1 ? ? 1 +13792 C CG2 A VAL D 126 0.4825 0.7863 0.9724 -0.0481 0.0326 0.0823 136 VAL D CG2 ? ? 1 +13793 C CG2 B VAL D 126 0.4889 0.7925 0.9789 -0.0484 0.0327 0.0823 136 VAL D CG2 ? ? 1 +13794 N N A GLY D 127 0.4686 0.7893 0.9569 -0.0469 0.0368 0.0890 137 GLY D N ? ? 1 +13795 N N B GLY D 127 0.4763 0.7968 0.9645 -0.0469 0.0368 0.0891 137 GLY D N ? ? 1 +13796 C CA A GLY D 127 0.4666 0.7904 0.9510 -0.0429 0.0361 0.0913 137 GLY D CA ? ? 1 +13797 C CA B GLY D 127 0.4755 0.7993 0.9599 -0.0428 0.0360 0.0913 137 GLY D CA ? ? 1 +13798 C C A GLY D 127 0.4505 0.7891 0.9421 -0.0360 0.0294 0.0900 137 GLY D C ? ? 1 +13799 C C B GLY D 127 0.4622 0.7999 0.9531 -0.0355 0.0291 0.0901 137 GLY D C ? ? 1 +13800 O O A GLY D 127 0.4538 0.7912 0.9386 -0.0300 0.0271 0.0920 137 GLY D O ? ? 1 +13801 O O B GLY D 127 0.4680 0.8026 0.9508 -0.0287 0.0265 0.0921 137 GLY D O ? ? 1 +13802 N N A VAL D 128 0.4327 0.7853 0.9379 -0.0371 0.0262 0.0866 138 VAL D N ? ? 1 +13803 N N B VAL D 128 0.4441 0.7971 0.9496 -0.0372 0.0262 0.0867 138 VAL D N ? ? 1 +13804 C CA A VAL D 128 0.4161 0.7834 0.9292 -0.0314 0.0202 0.0851 138 VAL D CA ? ? 1 +13805 C CA B VAL D 128 0.4284 0.7960 0.9418 -0.0315 0.0202 0.0851 138 VAL D CA ? ? 1 +13806 C C A VAL D 128 0.3981 0.7825 0.9244 -0.0359 0.0207 0.0836 138 VAL D C ? ? 1 +13807 C C B VAL D 128 0.4105 0.7957 0.9376 -0.0360 0.0206 0.0834 138 VAL D C ? ? 1 +13808 O O A VAL D 128 0.3987 0.7838 0.9283 -0.0430 0.0254 0.0835 138 VAL D O ? ? 1 +13809 O O B VAL D 128 0.4101 0.7970 0.9419 -0.0434 0.0250 0.0829 138 VAL D O ? ? 1 +13810 C CB A VAL D 128 0.4104 0.7808 0.9284 -0.0283 0.0160 0.0826 138 VAL D CB ? ? 1 +13811 C CB B VAL D 128 0.4233 0.7934 0.9410 -0.0282 0.0160 0.0827 138 VAL D CB ? ? 1 +13812 C CG1 A VAL D 128 0.4273 0.7815 0.9319 -0.0222 0.0148 0.0843 138 VAL D CG1 ? ? 1 +13813 C CG1 B VAL D 128 0.4410 0.7942 0.9448 -0.0224 0.0151 0.0845 138 VAL D CG1 ? ? 1 +13814 C CG2 A VAL D 128 0.4046 0.7791 0.9319 -0.0356 0.0180 0.0799 138 VAL D CG2 ? ? 1 +13815 C CG2 B VAL D 128 0.4166 0.7912 0.9438 -0.0353 0.0178 0.0799 138 VAL D CG2 ? ? 1 +13816 N N A ARG D 129 0.3829 0.7809 0.9164 -0.0315 0.0159 0.0824 139 ARG D N ? ? 1 +13817 N N B ARG D 129 0.3963 0.7944 0.9297 -0.0314 0.0159 0.0824 139 ARG D N ? ? 1 +13818 C CA A ARG D 129 0.3660 0.7802 0.9116 -0.0347 0.0158 0.0808 139 ARG D CA ? ? 1 +13819 C CA B ARG D 129 0.3791 0.7936 0.9249 -0.0347 0.0157 0.0808 139 ARG D CA ? ? 1 +13820 C C A ARG D 129 0.3491 0.7739 0.9075 -0.0385 0.0146 0.0774 139 ARG D C ? ? 1 +13821 C C B ARG D 129 0.3605 0.7851 0.9188 -0.0387 0.0147 0.0774 139 ARG D C ? ? 1 +13822 O O A ARG D 129 0.3478 0.7716 0.9071 -0.0359 0.0117 0.0760 139 ARG D O ? ? 1 +13823 O O B ARG D 129 0.3593 0.7823 0.9182 -0.0362 0.0120 0.0761 139 ARG D O ? ? 1 +13824 C CB A ARG D 129 0.3613 0.7841 0.9078 -0.0285 0.0113 0.0811 139 ARG D CB ? ? 1 +13825 C CB B ARG D 129 0.3766 0.8003 0.9239 -0.0285 0.0111 0.0809 139 ARG D CB ? ? 1 +13826 C CG A ARG D 129 0.3793 0.7902 0.9116 -0.0234 0.0114 0.0843 139 ARG D CG ? ? 1 +13827 C CG B ARG D 129 0.3966 0.8098 0.9306 -0.0239 0.0114 0.0841 139 ARG D CG ? ? 1 +13828 C CD A ARG D 129 0.3779 0.7950 0.9098 -0.0156 0.0056 0.0842 139 ARG D CD ? ? 1 +13829 C CD B ARG D 129 0.3992 0.8182 0.9326 -0.0160 0.0055 0.0840 139 ARG D CD ? ? 1 +13830 N NE A ARG D 129 0.3696 0.7983 0.9071 -0.0160 0.0048 0.0839 139 ARG D NE ? ? 1 +13831 N NE B ARG D 129 0.3918 0.8236 0.9320 -0.0163 0.0044 0.0834 139 ARG D NE ? ? 1 +13832 C CZ A ARG D 129 0.3588 0.8008 0.9046 -0.0128 0.0002 0.0821 139 ARG D CZ ? ? 1 +13833 C CZ B ARG D 129 0.3857 0.8293 0.9326 -0.0122 -0.0006 0.0817 139 ARG D CZ ? ? 1 +13834 N NH1 A ARG D 129 0.3548 0.8010 0.9047 -0.0088 -0.0041 0.0803 139 ARG D NH1 ? ? 1 +13835 N NH1 B ARG D 129 0.3842 0.8307 0.9341 -0.0080 -0.0048 0.0802 139 ARG D NH1 ? ? 1 +13836 N NH2 A ARG D 129 0.3522 0.8033 0.9021 -0.0136 0.0000 0.0819 139 ARG D NH2 ? ? 1 +13837 N NH2 B ARG D 129 0.3814 0.8342 0.9322 -0.0124 -0.0012 0.0816 139 ARG D NH2 ? ? 1 +13838 N N A PRO D 130 0.3353 0.7702 0.9038 -0.0448 0.0168 0.0759 140 PRO D N ? ? 1 +13839 N N B PRO D 130 0.3448 0.7796 0.9133 -0.0449 0.0169 0.0759 140 PRO D N ? ? 1 +13840 C CA A PRO D 130 0.3225 0.7659 0.9022 -0.0490 0.0161 0.0728 140 PRO D CA ? ? 1 +13841 C CA B PRO D 130 0.3306 0.7740 0.9103 -0.0491 0.0162 0.0727 140 PRO D CA ? ? 1 +13842 C C A PRO D 130 0.3026 0.7610 0.8924 -0.0460 0.0112 0.0704 140 PRO D C ? ? 1 +13843 C C B PRO D 130 0.3095 0.7678 0.8993 -0.0460 0.0112 0.0704 140 PRO D C ? ? 1 +13844 O O A PRO D 130 0.2903 0.7599 0.8909 -0.0500 0.0111 0.0682 140 PRO D O ? ? 1 +13845 O O B PRO D 130 0.2965 0.7661 0.8972 -0.0500 0.0111 0.0681 140 PRO D O ? ? 1 +13846 C CB A PRO D 130 0.3208 0.7682 0.9061 -0.0565 0.0208 0.0724 140 PRO D CB ? ? 1 +13847 C CB B PRO D 130 0.3287 0.7762 0.9141 -0.0566 0.0208 0.0724 140 PRO D CB ? ? 1 +13848 C CG A PRO D 130 0.3209 0.7704 0.9031 -0.0547 0.0218 0.0745 140 PRO D CG ? ? 1 +13849 C CG B PRO D 130 0.3290 0.7788 0.9113 -0.0547 0.0218 0.0745 140 PRO D CG ? ? 1 +13850 C CD A PRO D 130 0.3334 0.7714 0.9025 -0.0480 0.0203 0.0772 140 PRO D CD ? ? 1 +13851 C CD B PRO D 130 0.3424 0.7802 0.9115 -0.0482 0.0205 0.0772 140 PRO D CD ? ? 1 +13852 N N A TYR D 131 0.2986 0.7571 0.8850 -0.0389 0.0071 0.0709 141 TYR D N ? ? 1 +13853 N N B TYR D 131 0.3046 0.7630 0.8910 -0.0390 0.0071 0.0709 141 TYR D N ? ? 1 +13854 C CA A TYR D 131 0.2810 0.7533 0.8766 -0.0360 0.0028 0.0688 141 TYR D CA ? ? 1 +13855 C CA B TYR D 131 0.2862 0.7583 0.8817 -0.0361 0.0028 0.0688 141 TYR D CA ? ? 1 +13856 C C A TYR D 131 0.2727 0.7484 0.8747 -0.0374 0.0012 0.0661 141 TYR D C ? ? 1 +13857 C C B TYR D 131 0.2762 0.7518 0.8781 -0.0373 0.0011 0.0660 141 TYR D C ? ? 1 +13858 O O A TYR D 131 0.2582 0.7463 0.8697 -0.0377 -0.0011 0.0639 141 TYR D O ? ? 1 +13859 O O B TYR D 131 0.2609 0.7490 0.8724 -0.0377 -0.0011 0.0639 141 TYR D O ? ? 1 +13860 C CB A TYR D 131 0.2822 0.7542 0.8730 -0.0283 -0.0011 0.0699 141 TYR D CB ? ? 1 +13861 C CB B TYR D 131 0.2884 0.7606 0.8792 -0.0283 -0.0011 0.0699 141 TYR D CB ? ? 1 +13862 C CG A TYR D 131 0.2822 0.7569 0.8706 -0.0269 -0.0009 0.0716 141 TYR D CG ? ? 1 +13863 C CG B TYR D 131 0.2898 0.7647 0.8785 -0.0273 -0.0006 0.0716 141 TYR D CG ? ? 1 +13864 C CD1 A TYR D 131 0.2971 0.7600 0.8742 -0.0258 0.0014 0.0745 141 TYR D CD1 ? ? 1 +13865 C CD1 B TYR D 131 0.3063 0.7694 0.8839 -0.0269 0.0021 0.0745 141 TYR D CD1 ? ? 1 +13866 C CD2 A TYR D 131 0.2692 0.7577 0.8662 -0.0269 -0.0028 0.0704 141 TYR D CD2 ? ? 1 +13867 C CD2 B TYR D 131 0.2778 0.7665 0.8751 -0.0272 -0.0026 0.0705 141 TYR D CD2 ? ? 1 +13868 C CE1 A TYR D 131 0.2976 0.7626 0.8719 -0.0245 0.0017 0.0760 141 TYR D CE1 ? ? 1 +13869 C CE1 B TYR D 131 0.3075 0.7727 0.8827 -0.0261 0.0028 0.0760 141 TYR D CE1 ? ? 1 +13870 C CE2 A TYR D 131 0.2694 0.7601 0.8641 -0.0257 -0.0026 0.0719 141 TYR D CE2 ? ? 1 +13871 C CE2 B TYR D 131 0.2787 0.7695 0.8737 -0.0265 -0.0020 0.0719 141 TYR D CE2 ? ? 1 +13872 C CZ A TYR D 131 0.2837 0.7628 0.8670 -0.0244 -0.0004 0.0747 141 TYR D CZ ? ? 1 +13873 C CZ B TYR D 131 0.2937 0.7728 0.8776 -0.0259 0.0006 0.0747 141 TYR D CZ ? ? 1 +13874 O OH A TYR D 131 0.2861 0.7668 0.8663 -0.0231 -0.0002 0.0761 141 TYR D OH ? ? 1 +13875 O OH B TYR D 131 0.2981 0.7784 0.8789 -0.0251 0.0013 0.0761 141 TYR D OH ? ? 1 +13876 N N A ASN D 132 0.2822 0.7465 0.8784 -0.0382 0.0025 0.0661 142 ASN D N ? ? 1 +13877 N N B ASN D 132 0.2847 0.7489 0.8808 -0.0380 0.0024 0.0660 142 ASN D N ? ? 1 +13878 C CA A ASN D 132 0.2776 0.7438 0.8788 -0.0398 0.0013 0.0634 142 ASN D CA ? ? 1 +13879 C CA B ASN D 132 0.2795 0.7456 0.8807 -0.0397 0.0013 0.0634 142 ASN D CA ? ? 1 +13880 C C A ASN D 132 0.2687 0.7431 0.8794 -0.0469 0.0031 0.0614 142 ASN D C ? ? 1 +13881 C C B ASN D 132 0.2701 0.7442 0.8807 -0.0469 0.0031 0.0614 142 ASN D C ? ? 1 +13882 O O A ASN D 132 0.2579 0.7417 0.8768 -0.0476 0.0009 0.0589 142 ASN D O ? ? 1 +13883 O O B ASN D 132 0.2593 0.7427 0.8781 -0.0476 0.0009 0.0588 142 ASN D O ? ? 1 +13884 C CB A ASN D 132 0.2926 0.7437 0.8847 -0.0391 0.0024 0.0639 142 ASN D CB ? ? 1 +13885 C CB B ASN D 132 0.2946 0.7456 0.8867 -0.0390 0.0024 0.0639 142 ASN D CB ? ? 1 +13886 C CG A ASN D 132 0.2903 0.7426 0.8865 -0.0396 0.0008 0.0610 142 ASN D CG ? ? 1 +13887 C CG B ASN D 132 0.2930 0.7449 0.8890 -0.0399 0.0009 0.0610 142 ASN D CG ? ? 1 +13888 O OD1 A ASN D 132 0.2815 0.7427 0.8832 -0.0362 -0.0026 0.0594 142 ASN D OD1 ? ? 1 +13889 O OD1 B ASN D 132 0.2859 0.7454 0.8865 -0.0361 -0.0025 0.0595 142 ASN D OD1 ? ? 1 +13890 N ND2 A ASN D 132 0.2996 0.7429 0.8931 -0.0442 0.0033 0.0603 142 ASN D ND2 ? ? 1 +13891 N ND2 B ASN D 132 0.3014 0.7456 0.8959 -0.0452 0.0036 0.0602 142 ASN D ND2 ? ? 1 +13892 N N A ALA D 133 0.2735 0.7444 0.8830 -0.0521 0.0071 0.0625 143 ALA D N ? ? 1 +13893 N N B ALA D 133 0.2743 0.7451 0.8838 -0.0520 0.0071 0.0625 143 ALA D N ? ? 1 +13894 C CA A ALA D 133 0.2662 0.7454 0.8851 -0.0587 0.0089 0.0606 143 ALA D CA ? ? 1 +13895 C CA B ALA D 133 0.2667 0.7460 0.8857 -0.0587 0.0089 0.0606 143 ALA D CA ? ? 1 +13896 C C A ALA D 133 0.2506 0.7453 0.8788 -0.0577 0.0065 0.0596 143 ALA D C ? ? 1 +13897 C C B ALA D 133 0.2510 0.7457 0.8792 -0.0577 0.0066 0.0596 143 ALA D C ? ? 1 +13898 O O A ALA D 133 0.2409 0.7453 0.8781 -0.0601 0.0051 0.0570 143 ALA D O ? ? 1 +13899 O O B ALA D 133 0.2413 0.7457 0.8785 -0.0602 0.0052 0.0570 143 ALA D O ? ? 1 +13900 C CB A ALA D 133 0.2751 0.7478 0.8908 -0.0641 0.0140 0.0621 143 ALA D CB ? ? 1 +13901 C CB B ALA D 133 0.2754 0.7482 0.8912 -0.0641 0.0140 0.0621 143 ALA D CB ? ? 1 +13902 N N A ILE D 134 0.2495 0.7460 0.8747 -0.0539 0.0060 0.0616 144 ILE D N ? ? 1 +13903 N N B ILE D 134 0.2497 0.7464 0.8751 -0.0539 0.0060 0.0616 144 ILE D N ? ? 1 +13904 C CA A ILE D 134 0.2365 0.7465 0.8693 -0.0526 0.0039 0.0609 144 ILE D CA ? ? 1 +13905 C CA B ILE D 134 0.2368 0.7470 0.8698 -0.0526 0.0039 0.0609 144 ILE D CA ? ? 1 +13906 C C A ILE D 134 0.2267 0.7448 0.8655 -0.0498 -0.0003 0.0587 144 ILE D C ? ? 1 +13907 C C B ILE D 134 0.2274 0.7454 0.8661 -0.0497 -0.0004 0.0587 144 ILE D C ? ? 1 +13908 O O A ILE D 134 0.2154 0.7446 0.8629 -0.0516 -0.0015 0.0568 144 ILE D O ? ? 1 +13909 O O B ILE D 134 0.2160 0.7452 0.8635 -0.0515 -0.0016 0.0568 144 ILE D O ? ? 1 +13910 C CB A ILE D 134 0.2400 0.7481 0.8667 -0.0485 0.0038 0.0635 144 ILE D CB ? ? 1 +13911 C CB B ILE D 134 0.2401 0.7487 0.8671 -0.0484 0.0037 0.0635 144 ILE D CB ? ? 1 +13912 C CG1 A ILE D 134 0.2497 0.7516 0.8719 -0.0522 0.0086 0.0655 144 ILE D CG1 ? ? 1 +13913 C CG1 B ILE D 134 0.2494 0.7526 0.8723 -0.0521 0.0084 0.0654 144 ILE D CG1 ? ? 1 +13914 C CG2 A ILE D 134 0.2265 0.7476 0.8599 -0.0459 0.0009 0.0627 144 ILE D CG2 ? ? 1 +13915 C CG2 B ILE D 134 0.2266 0.7482 0.8604 -0.0457 0.0006 0.0626 144 ILE D CG2 ? ? 1 +13916 C CD1 A ILE D 134 0.2561 0.7532 0.8699 -0.0482 0.0089 0.0682 144 ILE D CD1 ? ? 1 +13917 C CD1 B ILE D 134 0.2560 0.7542 0.8703 -0.0479 0.0086 0.0682 144 ILE D CD1 ? ? 1 +13918 N N A ALA D 135 0.2318 0.7441 0.8653 -0.0451 -0.0025 0.0589 145 ALA D N ? ? 1 +13919 N N B ALA D 135 0.2329 0.7450 0.8663 -0.0450 -0.0025 0.0589 145 ALA D N ? ? 1 +13920 C CA A ALA D 135 0.2231 0.7420 0.8613 -0.0420 -0.0061 0.0568 145 ALA D CA ? ? 1 +13921 C CA B ALA D 135 0.2241 0.7427 0.8621 -0.0420 -0.0061 0.0569 145 ALA D CA ? ? 1 +13922 C C A ALA D 135 0.2196 0.7412 0.8636 -0.0462 -0.0061 0.0542 145 ALA D C ? ? 1 +13923 C C B ALA D 135 0.2204 0.7417 0.8642 -0.0462 -0.0060 0.0542 145 ALA D C ? ? 1 +13924 O O A ALA D 135 0.2103 0.7403 0.8604 -0.0453 -0.0085 0.0522 145 ALA D O ? ? 1 +13925 O O B ALA D 135 0.2110 0.7408 0.8610 -0.0453 -0.0085 0.0522 145 ALA D O ? ? 1 +13926 C CB A ALA D 135 0.2306 0.7418 0.8618 -0.0363 -0.0079 0.0576 145 ALA D CB ? ? 1 +13927 C CB B ALA D 135 0.2320 0.7426 0.8628 -0.0364 -0.0078 0.0576 145 ALA D CB ? ? 1 +13928 N N A PHE D 136 0.2274 0.7414 0.8691 -0.0509 -0.0032 0.0541 146 PHE D N ? ? 1 +13929 N N B PHE D 136 0.2279 0.7417 0.8695 -0.0509 -0.0032 0.0541 146 PHE D N ? ? 1 +13930 C CA A PHE D 136 0.2259 0.7413 0.8723 -0.0550 -0.0034 0.0514 146 PHE D CA ? ? 1 +13931 C CA B PHE D 136 0.2263 0.7415 0.8727 -0.0551 -0.0033 0.0514 146 PHE D CA ? ? 1 +13932 C C A PHE D 136 0.2143 0.7418 0.8706 -0.0590 -0.0035 0.0497 146 PHE D C ? ? 1 +13933 C C B PHE D 136 0.2145 0.7419 0.8707 -0.0591 -0.0034 0.0497 146 PHE D C ? ? 1 +13934 O O A PHE D 136 0.2099 0.7415 0.8714 -0.0615 -0.0047 0.0472 146 PHE D O ? ? 1 +13935 O O B PHE D 136 0.2100 0.7415 0.8715 -0.0617 -0.0046 0.0472 146 PHE D O ? ? 1 +13936 C CB A PHE D 136 0.2396 0.7427 0.8805 -0.0589 -0.0004 0.0516 146 PHE D CB ? ? 1 +13937 C CB B PHE D 136 0.2402 0.7433 0.8811 -0.0590 -0.0003 0.0516 146 PHE D CB ? ? 1 +13938 C CG A PHE D 136 0.2405 0.7431 0.8847 -0.0623 -0.0010 0.0487 146 PHE D CG ? ? 1 +13939 C CG B PHE D 136 0.2414 0.7439 0.8856 -0.0623 -0.0010 0.0487 146 PHE D CG ? ? 1 +13940 C CD1 A PHE D 136 0.2406 0.7416 0.8833 -0.0587 -0.0037 0.0473 146 PHE D CD1 ? ? 1 +13941 C CD1 B PHE D 136 0.2414 0.7422 0.8840 -0.0587 -0.0037 0.0473 146 PHE D CD1 ? ? 1 +13942 C CD2 A PHE D 136 0.2420 0.7459 0.8909 -0.0690 0.0010 0.0471 146 PHE D CD2 ? ? 1 +13943 C CD2 B PHE D 136 0.2430 0.7468 0.8919 -0.0691 0.0010 0.0471 146 PHE D CD2 ? ? 1 +13944 C CE1 A PHE D 136 0.2417 0.7417 0.8867 -0.0617 -0.0045 0.0445 146 PHE D CE1 ? ? 1 +13945 C CE1 B PHE D 136 0.2424 0.7423 0.8873 -0.0617 -0.0044 0.0445 146 PHE D CE1 ? ? 1 +13946 C CE2 A PHE D 136 0.2428 0.7463 0.8946 -0.0720 0.0000 0.0442 146 PHE D CE2 ? ? 1 +13947 C CE2 B PHE D 136 0.2438 0.7472 0.8955 -0.0721 0.0000 0.0442 146 PHE D CE2 ? ? 1 +13948 C CZ A PHE D 136 0.2428 0.7440 0.8922 -0.0683 -0.0028 0.0429 146 PHE D CZ ? ? 1 +13949 C CZ B PHE D 136 0.2437 0.7447 0.8930 -0.0683 -0.0028 0.0429 146 PHE D CZ ? ? 1 +13950 N N . SER D 137 0.2098 0.7427 0.8681 -0.0593 -0.0024 0.0512 147 SER D N ? ? 1 +13951 C CA . SER D 137 0.1996 0.7442 0.8669 -0.0623 -0.0026 0.0498 147 SER D CA ? ? 1 +13952 C CB . SER D 137 0.1975 0.7460 0.8650 -0.0617 -0.0011 0.0517 147 SER D CB ? ? 1 +13953 O OG . SER D 137 0.1945 0.7461 0.8603 -0.0562 -0.0036 0.0528 147 SER D OG ? ? 1 +13954 C C . SER D 137 0.1887 0.7430 0.8620 -0.0600 -0.0063 0.0477 147 SER D C ? ? 1 +13955 O O . SER D 137 0.1821 0.7446 0.8627 -0.0629 -0.0069 0.0458 147 SER D O ? ? 1 +13956 N N A ALA D 138 0.1873 0.7403 0.8572 -0.0548 -0.0086 0.0481 148 ALA D N ? ? 1 +13957 N N B ALA D 138 0.1872 0.7402 0.8571 -0.0548 -0.0086 0.0482 148 ALA D N ? ? 1 +13958 C CA A ALA D 138 0.1776 0.7386 0.8521 -0.0524 -0.0117 0.0464 148 ALA D CA ? ? 1 +13959 C CA B ALA D 138 0.1773 0.7383 0.8518 -0.0524 -0.0117 0.0464 148 ALA D CA ? ? 1 +13960 C C A ALA D 138 0.1776 0.7384 0.8546 -0.0547 -0.0127 0.0438 148 ALA D C ? ? 1 +13961 C C B ALA D 138 0.1774 0.7381 0.8543 -0.0547 -0.0127 0.0438 148 ALA D C ? ? 1 +13962 O O A ALA D 138 0.1702 0.7391 0.8533 -0.0563 -0.0141 0.0420 148 ALA D O ? ? 1 +13963 O O B ALA D 138 0.1699 0.7388 0.8531 -0.0563 -0.0141 0.0420 148 ALA D O ? ? 1 +13964 C CB A ALA D 138 0.1779 0.7372 0.8483 -0.0465 -0.0135 0.0474 148 ALA D CB ? ? 1 +13965 C CB B ALA D 138 0.1776 0.7371 0.8481 -0.0465 -0.0135 0.0474 148 ALA D CB ? ? 1 +13966 N N A PRO D 139 0.1869 0.7381 0.8587 -0.0547 -0.0123 0.0434 149 PRO D N ? ? 1 +13967 N N B PRO D 139 0.1867 0.7378 0.8584 -0.0547 -0.0123 0.0434 149 PRO D N ? ? 1 +13968 C CA A PRO D 139 0.1890 0.7389 0.8625 -0.0574 -0.0131 0.0408 149 PRO D CA ? ? 1 +13969 C CA B PRO D 139 0.1889 0.7388 0.8623 -0.0574 -0.0131 0.0408 149 PRO D CA ? ? 1 +13970 C C A PRO D 139 0.1872 0.7415 0.8666 -0.0633 -0.0122 0.0392 149 PRO D C ? ? 1 +13971 C C B PRO D 139 0.1869 0.7413 0.8664 -0.0633 -0.0122 0.0392 149 PRO D C ? ? 1 +13972 O O A PRO D 139 0.1825 0.7417 0.8664 -0.0649 -0.0140 0.0367 149 PRO D O ? ? 1 +13973 O O B PRO D 139 0.1820 0.7413 0.8659 -0.0649 -0.0140 0.0367 149 PRO D O ? ? 1 +13974 C CB A PRO D 139 0.2014 0.7383 0.8670 -0.0569 -0.0118 0.0413 149 PRO D CB ? ? 1 +13975 C CB B PRO D 139 0.2012 0.7381 0.8669 -0.0569 -0.0118 0.0413 149 PRO D CB ? ? 1 +13976 C CG A PRO D 139 0.2041 0.7371 0.8641 -0.0518 -0.0116 0.0439 149 PRO D CG ? ? 1 +13977 C CG B PRO D 139 0.2041 0.7370 0.8641 -0.0519 -0.0116 0.0439 149 PRO D CG ? ? 1 +13978 C CD A PRO D 139 0.1971 0.7377 0.8605 -0.0517 -0.0112 0.0455 149 PRO D CD ? ? 1 +13979 C CD B PRO D 139 0.1969 0.7375 0.8603 -0.0516 -0.0113 0.0455 149 PRO D CD ? ? 1 +13980 N N . ILE D 140 0.1912 0.7439 0.8707 -0.0664 -0.0094 0.0406 150 ILE D N ? ? 1 +13981 C CA . ILE D 140 0.1917 0.7495 0.8777 -0.0720 -0.0083 0.0391 150 ILE D CA ? ? 1 +13982 C CB . ILE D 140 0.2000 0.7534 0.8845 -0.0754 -0.0043 0.0409 150 ILE D CB ? ? 1 +13983 C CG1 . ILE D 140 0.2141 0.7540 0.8911 -0.0770 -0.0023 0.0413 150 ILE D CG1 ? ? 1 +13984 C CG2 . ILE D 140 0.1975 0.7591 0.8905 -0.0808 -0.0032 0.0392 150 ILE D CG2 ? ? 1 +13985 C CD1 . ILE D 140 0.2232 0.7573 0.8978 -0.0806 0.0018 0.0429 150 ILE D CD1 ? ? 1 +13986 C C . ILE D 140 0.1798 0.7505 0.8734 -0.0714 -0.0103 0.0381 150 ILE D C ? ? 1 +13987 O O . ILE D 140 0.1774 0.7539 0.8768 -0.0740 -0.0118 0.0355 150 ILE D O ? ? 1 +13988 N N . ALA D 141 0.1727 0.7474 0.8659 -0.0678 -0.0105 0.0400 151 ALA D N ? ? 1 +13989 C CA . ALA D 141 0.1608 0.7467 0.8602 -0.0668 -0.0123 0.0393 151 ALA D CA ? ? 1 +13990 C CB . ALA D 141 0.1574 0.7453 0.8547 -0.0627 -0.0123 0.0416 151 ALA D CB ? ? 1 +13991 C C . ALA D 141 0.1551 0.7447 0.8566 -0.0654 -0.0156 0.0370 151 ALA D C ? ? 1 +13992 O O . ALA D 141 0.1499 0.7474 0.8573 -0.0667 -0.0171 0.0353 151 ALA D O ? ? 1 +13993 N N . VAL D 142 0.1557 0.7395 0.8523 -0.0624 -0.0167 0.0370 152 VAL D N ? ? 1 +13994 C CA . VAL D 142 0.1498 0.7362 0.8474 -0.0609 -0.0194 0.0349 152 VAL D CA ? ? 1 +13995 C CB . VAL D 142 0.1530 0.7332 0.8447 -0.0568 -0.0201 0.0353 152 VAL D CB ? ? 1 +13996 C CG1 . VAL D 142 0.1514 0.7328 0.8436 -0.0559 -0.0223 0.0329 152 VAL D CG1 ? ? 1 +13997 C CG2 . VAL D 142 0.1490 0.7315 0.8394 -0.0524 -0.0202 0.0374 152 VAL D CG2 ? ? 1 +13998 C C . VAL D 142 0.1504 0.7364 0.8507 -0.0651 -0.0201 0.0322 152 VAL D C ? ? 1 +13999 O O . VAL D 142 0.1441 0.7368 0.8487 -0.0657 -0.0222 0.0302 152 VAL D O ? ? 1 +14000 N N . PHE D 143 0.1590 0.7368 0.8562 -0.0678 -0.0185 0.0319 153 PHE D N ? ? 1 +14001 C CA . PHE D 143 0.1639 0.7408 0.8635 -0.0721 -0.0192 0.0292 153 PHE D CA ? ? 1 +14002 C CB . PHE D 143 0.1751 0.7419 0.8708 -0.0754 -0.0167 0.0294 153 PHE D CB ? ? 1 +14003 C CG . PHE D 143 0.1797 0.7457 0.8781 -0.0801 -0.0176 0.0262 153 PHE D CG ? ? 1 +14004 C CD1 . PHE D 143 0.1831 0.7454 0.8787 -0.0790 -0.0199 0.0240 153 PHE D CD1 ? ? 1 +14005 C CD2 . PHE D 143 0.1812 0.7505 0.8853 -0.0855 -0.0162 0.0252 153 PHE D CD2 ? ? 1 +14006 C CE1 . PHE D 143 0.1882 0.7498 0.8861 -0.0834 -0.0211 0.0209 153 PHE D CE1 ? ? 1 +14007 C CE2 . PHE D 143 0.1850 0.7543 0.8923 -0.0899 -0.0173 0.0219 153 PHE D CE2 ? ? 1 +14008 C CZ . PHE D 143 0.1886 0.7539 0.8927 -0.0889 -0.0199 0.0197 153 PHE D CZ ? ? 1 +14009 C C . PHE D 143 0.1570 0.7437 0.8648 -0.0755 -0.0197 0.0278 153 PHE D C ? ? 1 +14010 O O . PHE D 143 0.1533 0.7445 0.8647 -0.0766 -0.0222 0.0252 153 PHE D O ? ? 1 +14011 N N . VAL D 144 0.1558 0.7455 0.8660 -0.0767 -0.0174 0.0296 154 VAL D N ? ? 1 +14012 C CA . VAL D 144 0.1523 0.7509 0.8704 -0.0800 -0.0173 0.0284 154 VAL D CA ? ? 1 +14013 C CB . VAL D 144 0.1552 0.7538 0.8739 -0.0814 -0.0136 0.0307 154 VAL D CB ? ? 1 +14014 C CG1 . VAL D 144 0.1501 0.7595 0.8771 -0.0833 -0.0136 0.0298 154 VAL D CG1 ? ? 1 +14015 C CG2 . VAL D 144 0.1665 0.7560 0.8822 -0.0855 -0.0105 0.0310 154 VAL D CG2 ? ? 1 +14016 C C . VAL D 144 0.1411 0.7495 0.8634 -0.0773 -0.0202 0.0275 154 VAL D C ? ? 1 +14017 O O . VAL D 144 0.1379 0.7529 0.8661 -0.0794 -0.0221 0.0251 154 VAL D O ? ? 1 +14018 N N . SER D 145 0.1342 0.7434 0.8535 -0.0726 -0.0208 0.0294 155 SER D N ? ? 1 +14019 C CA . SER D 145 0.1242 0.7417 0.8467 -0.0700 -0.0232 0.0289 155 SER D CA ? ? 1 +14020 C CB . SER D 145 0.1224 0.7399 0.8415 -0.0657 -0.0227 0.0314 155 SER D CB ? ? 1 +14021 O OG . SER D 145 0.1274 0.7380 0.8404 -0.0629 -0.0229 0.0322 155 SER D OG ? ? 1 +14022 C C . SER D 145 0.1221 0.7402 0.8442 -0.0692 -0.0264 0.0264 155 SER D C ? ? 1 +14023 O O . SER D 145 0.1171 0.7422 0.8434 -0.0692 -0.0286 0.0248 155 SER D O ? ? 1 +14024 N N . VAL D 146 0.1257 0.7361 0.8426 -0.0685 -0.0266 0.0260 156 VAL D N ? ? 1 +14025 C CA . VAL D 146 0.1250 0.7347 0.8400 -0.0670 -0.0294 0.0240 156 VAL D CA ? ? 1 +14026 C CB . VAL D 146 0.1283 0.7301 0.8363 -0.0639 -0.0289 0.0248 156 VAL D CB ? ? 1 +14027 C CG1 . VAL D 146 0.1292 0.7297 0.8349 -0.0626 -0.0314 0.0225 156 VAL D CG1 ? ? 1 +14028 C CG2 . VAL D 146 0.1240 0.7270 0.8302 -0.0599 -0.0280 0.0274 156 VAL D CG2 ? ? 1 +14029 C C . VAL D 146 0.1287 0.7381 0.8462 -0.0709 -0.0308 0.0209 156 VAL D C ? ? 1 +14030 O O . VAL D 146 0.1260 0.7393 0.8451 -0.0706 -0.0337 0.0188 156 VAL D O ? ? 1 +14031 N N . PHE D 147 0.1362 0.7400 0.8532 -0.0745 -0.0290 0.0207 157 PHE D N ? ? 1 +14032 C CA . PHE D 147 0.1426 0.7451 0.8616 -0.0786 -0.0303 0.0176 157 PHE D CA ? ? 1 +14033 C CB . PHE D 147 0.1541 0.7458 0.8681 -0.0807 -0.0282 0.0178 157 PHE D CB ? ? 1 +14034 C CG . PHE D 147 0.1594 0.7435 0.8659 -0.0770 -0.0288 0.0180 157 PHE D CG ? ? 1 +14035 C CD2 . PHE D 147 0.1652 0.7458 0.8693 -0.0775 -0.0311 0.0152 157 PHE D CD2 ? ? 1 +14036 C CD1 . PHE D 147 0.1601 0.7406 0.8619 -0.0730 -0.0271 0.0209 157 PHE D CD1 ? ? 1 +14037 C CE2 . PHE D 147 0.1705 0.7441 0.8675 -0.0739 -0.0314 0.0154 157 PHE D CE2 ? ? 1 +14038 C CE1 . PHE D 147 0.1649 0.7389 0.8603 -0.0694 -0.0276 0.0210 157 PHE D CE1 ? ? 1 +14039 C CZ . PHE D 147 0.1698 0.7404 0.8628 -0.0698 -0.0296 0.0183 157 PHE D CZ ? ? 1 +14040 C C . PHE D 147 0.1383 0.7486 0.8655 -0.0827 -0.0305 0.0160 157 PHE D C ? ? 1 +14041 O O . PHE D 147 0.1411 0.7526 0.8712 -0.0858 -0.0324 0.0130 157 PHE D O ? ? 1 +14042 N N . LEU D 148 0.1320 0.7475 0.8630 -0.0828 -0.0284 0.0180 158 LEU D N ? ? 1 +14043 C CA . LEU D 148 0.1290 0.7524 0.8683 -0.0865 -0.0281 0.0167 158 LEU D CA ? ? 1 +14044 C CB . LEU D 148 0.1344 0.7542 0.8744 -0.0902 -0.0237 0.0182 158 LEU D CB ? ? 1 +14045 C CG . LEU D 148 0.1449 0.7542 0.8805 -0.0934 -0.0220 0.0177 158 LEU D CG ? ? 1 +14046 C CD1 . LEU D 148 0.1497 0.7551 0.8853 -0.0968 -0.0174 0.0195 158 LEU D CD1 ? ? 1 +14047 C CD2 . LEU D 148 0.1490 0.7593 0.8881 -0.0972 -0.0245 0.0137 158 LEU D CD2 ? ? 1 +14048 C C . LEU D 148 0.1177 0.7511 0.8615 -0.0839 -0.0293 0.0172 158 LEU D C ? ? 1 +14049 O O . LEU D 148 0.1143 0.7550 0.8634 -0.0844 -0.0321 0.0148 158 LEU D O ? ? 1 +14050 N N . ILE D 149 0.1116 0.7450 0.8530 -0.0809 -0.0274 0.0203 159 ILE D N ? ? 1 +14051 C CA . ILE D 149 0.1019 0.7441 0.8473 -0.0786 -0.0281 0.0209 159 ILE D CA ? ? 1 +14052 C CB . ILE D 149 0.0996 0.7405 0.8421 -0.0761 -0.0255 0.0243 159 ILE D CB ? ? 1 +14053 C CG1 . ILE D 149 0.1047 0.7424 0.8477 -0.0794 -0.0215 0.0256 159 ILE D CG1 ? ? 1 +14054 C CG2 . ILE D 149 0.0918 0.7409 0.8375 -0.0734 -0.0265 0.0248 159 ILE D CG2 ? ? 1 +14055 C CD1 . ILE D 149 0.1047 0.7392 0.8433 -0.0769 -0.0190 0.0289 159 ILE D CD1 ? ? 1 +14056 C C . ILE D 149 0.0964 0.7421 0.8413 -0.0754 -0.0321 0.0194 159 ILE D C ? ? 1 +14057 O O . ILE D 149 0.0923 0.7457 0.8423 -0.0753 -0.0342 0.0179 159 ILE D O ? ? 1 +14058 N N . TYR D 150 0.0961 0.7357 0.8343 -0.0727 -0.0331 0.0199 160 TYR D N ? ? 1 +14059 C CA . TYR D 150 0.0913 0.7331 0.8276 -0.0694 -0.0363 0.0189 160 TYR D CA ? ? 1 +14060 C CB . TYR D 150 0.0927 0.7269 0.8215 -0.0667 -0.0364 0.0197 160 TYR D CB ? ? 1 +14061 C CG . TYR D 150 0.0896 0.7254 0.8161 -0.0638 -0.0393 0.0185 160 TYR D CG ? ? 1 +14062 C CD1 . TYR D 150 0.0834 0.7241 0.8103 -0.0608 -0.0399 0.0196 160 TYR D CD1 ? ? 1 +14063 C CD2 . TYR D 150 0.0940 0.7263 0.8177 -0.0641 -0.0416 0.0161 160 TYR D CD2 ? ? 1 +14064 C CE1 . TYR D 150 0.0823 0.7239 0.8065 -0.0582 -0.0424 0.0185 160 TYR D CE1 ? ? 1 +14065 C CE2 . TYR D 150 0.0930 0.7263 0.8139 -0.0614 -0.0441 0.0150 160 TYR D CE2 ? ? 1 +14066 C CZ . TYR D 150 0.0869 0.7248 0.8080 -0.0585 -0.0445 0.0163 160 TYR D CZ ? ? 1 +14067 O OH . TYR D 150 0.0870 0.7251 0.8046 -0.0559 -0.0467 0.0153 160 TYR D OH ? ? 1 +14068 C C . TYR D 150 0.0921 0.7378 0.8320 -0.0710 -0.0397 0.0155 160 TYR D C ? ? 1 +14069 O O . TYR D 150 0.0875 0.7394 0.8298 -0.0693 -0.0420 0.0148 160 TYR D O ? ? 1 +14070 N N . PRO D 151 0.0984 0.7403 0.8382 -0.0742 -0.0404 0.0133 161 PRO D N ? ? 1 +14071 C CA . PRO D 151 0.1004 0.7467 0.8442 -0.0759 -0.0440 0.0098 161 PRO D CA ? ? 1 +14072 C CB . PRO D 151 0.1085 0.7476 0.8501 -0.0793 -0.0439 0.0080 161 PRO D CB ? ? 1 +14073 C CG . PRO D 151 0.1109 0.7440 0.8502 -0.0806 -0.0396 0.0105 161 PRO D CG ? ? 1 +14074 C CD . PRO D 151 0.1053 0.7383 0.8411 -0.0761 -0.0381 0.0139 161 PRO D CD ? ? 1 +14075 C C . PRO D 151 0.0972 0.7529 0.8500 -0.0782 -0.0443 0.0086 161 PRO D C ? ? 1 +14076 O O . PRO D 151 0.0959 0.7576 0.8521 -0.0777 -0.0478 0.0062 161 PRO D O ? ? 1 +14077 N N . LEU D 152 0.0966 0.7535 0.8530 -0.0805 -0.0406 0.0102 162 LEU D N ? ? 1 +14078 C CA . LEU D 152 0.0936 0.7596 0.8588 -0.0827 -0.0402 0.0093 162 LEU D CA ? ? 1 +14079 C CB . LEU D 152 0.0950 0.7595 0.8623 -0.0858 -0.0354 0.0112 162 LEU D CB ? ? 1 +14080 C CG . LEU D 152 0.1029 0.7625 0.8713 -0.0911 -0.0337 0.0097 162 LEU D CG ? ? 1 +14081 C CD1 . LEU D 152 0.1057 0.7607 0.8728 -0.0932 -0.0285 0.0124 162 LEU D CD1 ? ? 1 +14082 C CD2 . LEU D 152 0.1040 0.7716 0.8817 -0.0951 -0.0356 0.0059 162 LEU D CD2 ? ? 1 +14083 C C . LEU D 152 0.0867 0.7599 0.8536 -0.0786 -0.0417 0.0101 162 LEU D C ? ? 1 +14084 O O . LEU D 152 0.0839 0.7656 0.8578 -0.0791 -0.0433 0.0083 162 LEU D O ? ? 1 +14085 N N . GLY D 153 0.0842 0.7537 0.8446 -0.0746 -0.0414 0.0126 163 GLY D N ? ? 1 +14086 C CA . GLY D 153 0.0786 0.7533 0.8393 -0.0706 -0.0429 0.0134 163 GLY D CA ? ? 1 +14087 C C . GLY D 153 0.0797 0.7559 0.8387 -0.0683 -0.0474 0.0111 163 GLY D C ? ? 1 +14088 O O . GLY D 153 0.0766 0.7585 0.8376 -0.0658 -0.0494 0.0107 163 GLY D O ? ? 1 +14089 N N . GLN D 154 0.0854 0.7557 0.8399 -0.0689 -0.0490 0.0098 164 GLN D N ? ? 1 +14090 C CA . GLN D 154 0.0883 0.7582 0.8395 -0.0666 -0.0532 0.0077 164 GLN D CA ? ? 1 +14091 C CB . GLN D 154 0.0928 0.7536 0.8358 -0.0657 -0.0530 0.0081 164 GLN D CB ? ? 1 +14092 C CG . GLN D 154 0.0907 0.7470 0.8279 -0.0627 -0.0502 0.0114 164 GLN D CG ? ? 1 +14093 C CD . GLN D 154 0.0871 0.7466 0.8225 -0.0587 -0.0515 0.0124 164 GLN D CD ? ? 1 +14094 O OE1 . GLN D 154 0.0883 0.7505 0.8234 -0.0572 -0.0548 0.0106 164 GLN D OE1 ? ? 1 +14095 N NE2 . GLN D 154 0.0842 0.7430 0.8178 -0.0568 -0.0489 0.0152 164 GLN D NE2 ? ? 1 +14096 C C . GLN D 154 0.0916 0.7669 0.8492 -0.0693 -0.0564 0.0040 164 GLN D C ? ? 1 +14097 O O . GLN D 154 0.0909 0.7714 0.8560 -0.0725 -0.0552 0.0032 164 GLN D O ? ? 1 +14098 N N . SER D 155 0.0962 0.7702 0.8506 -0.0681 -0.0605 0.0015 165 SER D N ? ? 1 +14099 C CA . SER D 155 0.0996 0.7795 0.8596 -0.0698 -0.0644 -0.0023 165 SER D CA ? ? 1 +14100 C CB . SER D 155 0.1028 0.7809 0.8570 -0.0663 -0.0691 -0.0040 165 SER D CB ? ? 1 +14101 O OG . SER D 155 0.1086 0.7775 0.8550 -0.0666 -0.0691 -0.0043 165 SER D OG ? ? 1 +14102 C C . SER D 155 0.1058 0.7840 0.8694 -0.0751 -0.0640 -0.0046 165 SER D C ? ? 1 +14103 O O . SER D 155 0.1083 0.7933 0.8800 -0.0779 -0.0658 -0.0074 165 SER D O ? ? 1 +14104 N N . SER D 156 0.1098 0.7789 0.8676 -0.0764 -0.0616 -0.0035 166 SER D N ? ? 1 +14105 C CA . SER D 156 0.1159 0.7812 0.8752 -0.0812 -0.0612 -0.0056 166 SER D CA ? ? 1 +14106 C CB . SER D 156 0.1218 0.7863 0.8793 -0.0814 -0.0662 -0.0095 166 SER D CB ? ? 1 +14107 O OG . SER D 156 0.1248 0.7814 0.8722 -0.0778 -0.0671 -0.0087 166 SER D OG ? ? 1 +14108 C C . SER D 156 0.1191 0.7739 0.8712 -0.0816 -0.0576 -0.0033 166 SER D C ? ? 1 +14109 O O . SER D 156 0.1162 0.7670 0.8623 -0.0780 -0.0559 -0.0004 166 SER D O ? ? 1 +14110 N N . TRP D 157 0.1249 0.7751 0.8779 -0.0862 -0.0565 -0.0049 167 TRP D N ? ? 1 +14111 C CA . TRP D 157 0.1291 0.7685 0.8749 -0.0866 -0.0535 -0.0032 167 TRP D CA ? ? 1 +14112 C CB . TRP D 157 0.1361 0.7711 0.8837 -0.0921 -0.0527 -0.0054 167 TRP D CB ? ? 1 +14113 C CG . TRP D 157 0.1350 0.7746 0.8909 -0.0969 -0.0498 -0.0053 167 TRP D CG ? ? 1 +14114 C CD1 . TRP D 157 0.1377 0.7818 0.9012 -0.1020 -0.0510 -0.0087 167 TRP D CD1 ? ? 1 +14115 N NE1 . TRP D 157 0.1364 0.7834 0.9059 -0.1055 -0.0469 -0.0075 167 TRP D NE1 ? ? 1 +14116 C CE2 . TRP D 157 0.1326 0.7766 0.8980 -0.1026 -0.0432 -0.0032 167 TRP D CE2 ? ? 1 +14117 C CZ2 . TRP D 157 0.1309 0.7756 0.8989 -0.1042 -0.0384 -0.0005 167 TRP D CZ2 ? ? 1 +14118 C CH2 . TRP D 157 0.1280 0.7687 0.8900 -0.1003 -0.0359 0.0035 167 TRP D CH2 ? ? 1 +14119 C CZ3 . TRP D 157 0.1260 0.7629 0.8806 -0.0950 -0.0379 0.0048 167 TRP D CZ3 ? ? 1 +14120 C CE3 . TRP D 157 0.1278 0.7638 0.8797 -0.0935 -0.0421 0.0022 167 TRP D CE3 ? ? 1 +14121 C CD2 . TRP D 157 0.1314 0.7708 0.8885 -0.0972 -0.0450 -0.0018 167 TRP D CD2 ? ? 1 +14122 C C . TRP D 157 0.1317 0.7642 0.8682 -0.0827 -0.0554 -0.0032 167 TRP D C ? ? 1 +14123 O O . TRP D 157 0.1357 0.7600 0.8658 -0.0815 -0.0529 -0.0012 167 TRP D O ? ? 1 +14124 N N . PHE D 158 0.1313 0.7668 0.8669 -0.0808 -0.0598 -0.0056 168 PHE D N ? ? 1 +14125 C CA . PHE D 158 0.1351 0.7642 0.8618 -0.0774 -0.0618 -0.0062 168 PHE D CA ? ? 1 +14126 C CB . PHE D 158 0.1346 0.7689 0.8616 -0.0754 -0.0668 -0.0089 168 PHE D CB ? ? 1 +14127 C CG . PHE D 158 0.1391 0.7670 0.8565 -0.0719 -0.0690 -0.0096 168 PHE D CG ? ? 1 +14128 C CD1 . PHE D 158 0.1356 0.7621 0.8473 -0.0671 -0.0679 -0.0070 168 PHE D CD1 ? ? 1 +14129 C CD2 . PHE D 158 0.1475 0.7702 0.8612 -0.0734 -0.0717 -0.0130 168 PHE D CD2 ? ? 1 +14130 C CE1 . PHE D 158 0.1400 0.7606 0.8429 -0.0640 -0.0694 -0.0077 168 PHE D CE1 ? ? 1 +14131 C CE2 . PHE D 158 0.1524 0.7686 0.8566 -0.0700 -0.0733 -0.0136 168 PHE D CE2 ? ? 1 +14132 C CZ . PHE D 158 0.1485 0.7639 0.8475 -0.0653 -0.0721 -0.0110 168 PHE D CZ ? ? 1 +14133 C C . PHE D 158 0.1317 0.7568 0.8522 -0.0731 -0.0589 -0.0025 168 PHE D C ? ? 1 +14134 O O . PHE D 158 0.1348 0.7521 0.8479 -0.0714 -0.0583 -0.0023 168 PHE D O ? ? 1 +14135 N N . PHE D 159 0.1250 0.7558 0.8489 -0.0715 -0.0572 0.0001 169 PHE D N ? ? 1 +14136 C CA . PHE D 159 0.1219 0.7507 0.8412 -0.0674 -0.0549 0.0033 169 PHE D CA ? ? 1 +14137 C CB . PHE D 159 0.1140 0.7508 0.8366 -0.0650 -0.0558 0.0045 169 PHE D CB ? ? 1 +14138 C CG . PHE D 159 0.1154 0.7542 0.8358 -0.0629 -0.0600 0.0022 169 PHE D CG ? ? 1 +14139 C CD1 . PHE D 159 0.1180 0.7516 0.8303 -0.0595 -0.0607 0.0024 169 PHE D CD1 ? ? 1 +14140 C CD2 . PHE D 159 0.1151 0.7608 0.8413 -0.0642 -0.0634 -0.0002 169 PHE D CD2 ? ? 1 +14141 C CE1 . PHE D 159 0.1209 0.7553 0.8300 -0.0574 -0.0645 0.0004 169 PHE D CE1 ? ? 1 +14142 C CE2 . PHE D 159 0.1175 0.7645 0.8409 -0.0619 -0.0675 -0.0023 169 PHE D CE2 ? ? 1 +14143 C CZ . PHE D 159 0.1207 0.7617 0.8351 -0.0585 -0.0681 -0.0019 169 PHE D CZ ? ? 1 +14144 C C . PHE D 159 0.1233 0.7476 0.8417 -0.0681 -0.0506 0.0061 169 PHE D C ? ? 1 +14145 O O . PHE D 159 0.1228 0.7446 0.8371 -0.0649 -0.0486 0.0086 169 PHE D O ? ? 1 +14146 N N . ALA D 160 0.1271 0.7499 0.8489 -0.0723 -0.0491 0.0056 170 ALA D N ? ? 1 +14147 C CA . ALA D 160 0.1297 0.7459 0.8488 -0.0729 -0.0453 0.0078 170 ALA D CA ? ? 1 +14148 C CB . ALA D 160 0.1342 0.7487 0.8571 -0.0780 -0.0440 0.0067 170 ALA D CB ? ? 1 +14149 C C . ALA D 160 0.1359 0.7433 0.8467 -0.0704 -0.0452 0.0078 170 ALA D C ? ? 1 +14150 O O . ALA D 160 0.1391 0.7450 0.8466 -0.0693 -0.0479 0.0056 170 ALA D O ? ? 1 +14151 N N . PRO D 161 0.1382 0.7393 0.8452 -0.0694 -0.0421 0.0100 171 PRO D N ? ? 1 +14152 C CA . PRO D 161 0.1440 0.7363 0.8436 -0.0674 -0.0418 0.0096 171 PRO D CA ? ? 1 +14153 C CB . PRO D 161 0.1436 0.7324 0.8408 -0.0651 -0.0385 0.0129 171 PRO D CB ? ? 1 +14154 C CG . PRO D 161 0.1406 0.7335 0.8433 -0.0677 -0.0367 0.0146 171 PRO D CG ? ? 1 +14155 C CD . PRO D 161 0.1358 0.7377 0.8450 -0.0697 -0.0389 0.0130 171 PRO D CD ? ? 1 +14156 C C . PRO D 161 0.1522 0.7383 0.8505 -0.0711 -0.0426 0.0070 171 PRO D C ? ? 1 +14157 O O . PRO D 161 0.1539 0.7395 0.8558 -0.0753 -0.0415 0.0067 171 PRO D O ? ? 1 +14158 N N . SER D 162 0.1568 0.7380 0.8496 -0.0697 -0.0445 0.0049 172 SER D N ? ? 1 +14159 C CA . SER D 162 0.1659 0.7391 0.8554 -0.0725 -0.0450 0.0024 172 SER D CA ? ? 1 +14160 C CB . SER D 162 0.1696 0.7413 0.8550 -0.0712 -0.0483 -0.0006 172 SER D CB ? ? 1 +14161 O OG . SER D 162 0.1651 0.7453 0.8557 -0.0725 -0.0516 -0.0024 172 SER D OG ? ? 1 +14162 C C . SER D 162 0.1716 0.7353 0.8555 -0.0712 -0.0418 0.0043 172 SER D C ? ? 1 +14163 O O . SER D 162 0.1691 0.7321 0.8502 -0.0669 -0.0401 0.0067 172 SER D O ? ? 1 +14164 N N . PHE D 163 0.1801 0.7365 0.8626 -0.0748 -0.0410 0.0030 173 PHE D N ? ? 1 +14165 C CA . PHE D 163 0.1860 0.7327 0.8632 -0.0740 -0.0380 0.0048 173 PHE D CA ? ? 1 +14166 C CB . PHE D 163 0.1936 0.7356 0.8726 -0.0796 -0.0366 0.0040 173 PHE D CB ? ? 1 +14167 C CG . PHE D 163 0.1886 0.7373 0.8747 -0.0826 -0.0349 0.0058 173 PHE D CG ? ? 1 +14168 C CD1 . PHE D 163 0.1861 0.7344 0.8717 -0.0804 -0.0319 0.0095 173 PHE D CD1 ? ? 1 +14169 C CD2 . PHE D 163 0.1874 0.7429 0.8808 -0.0874 -0.0364 0.0036 173 PHE D CD2 ? ? 1 +14170 C CE1 . PHE D 163 0.1820 0.7360 0.8735 -0.0831 -0.0302 0.0110 173 PHE D CE1 ? ? 1 +14171 C CE2 . PHE D 163 0.1827 0.7445 0.8827 -0.0900 -0.0345 0.0051 173 PHE D CE2 ? ? 1 +14172 C CZ . PHE D 163 0.1804 0.7411 0.8791 -0.0879 -0.0313 0.0089 173 PHE D CZ ? ? 1 +14173 C C . PHE D 163 0.1917 0.7301 0.8610 -0.0709 -0.0386 0.0034 173 PHE D C ? ? 1 +14174 O O . PHE D 163 0.2005 0.7313 0.8663 -0.0733 -0.0392 0.0010 173 PHE D O ? ? 1 +14175 N N . GLY D 164 0.1861 0.7261 0.8526 -0.0656 -0.0383 0.0048 174 GLY D N ? ? 1 +14176 C CA . GLY D 164 0.1918 0.7244 0.8507 -0.0620 -0.0383 0.0038 174 GLY D CA ? ? 1 +14177 C C . GLY D 164 0.1852 0.7207 0.8428 -0.0564 -0.0370 0.0061 174 GLY D C ? ? 1 +14178 O O . GLY D 164 0.1757 0.7197 0.8380 -0.0555 -0.0368 0.0079 174 GLY D O ? ? 1 +14179 N N . VAL D 165 0.1908 0.7193 0.8419 -0.0527 -0.0360 0.0058 175 VAL D N ? ? 1 +14180 C CA . VAL D 165 0.1859 0.7170 0.8360 -0.0474 -0.0343 0.0078 175 VAL D CA ? ? 1 +14181 C CB . VAL D 165 0.1949 0.7165 0.8379 -0.0438 -0.0329 0.0073 175 VAL D CB ? ? 1 +14182 C CG1 . VAL D 165 0.1906 0.7158 0.8331 -0.0384 -0.0314 0.0087 175 VAL D CG1 ? ? 1 +14183 C CG2 . VAL D 165 0.2015 0.7151 0.8425 -0.0448 -0.0312 0.0084 175 VAL D CG2 ? ? 1 +14184 C C . VAL D 165 0.1779 0.7171 0.8299 -0.0458 -0.0356 0.0074 175 VAL D C ? ? 1 +14185 O O . VAL D 165 0.1687 0.7156 0.8251 -0.0446 -0.0351 0.0094 175 VAL D O ? ? 1 +14186 N N . ALA D 166 0.1822 0.7190 0.8302 -0.0457 -0.0374 0.0047 176 ALA D N ? ? 1 +14187 C CA . ALA D 166 0.1772 0.7203 0.8256 -0.0441 -0.0386 0.0041 176 ALA D CA ? ? 1 +14188 C CB . ALA D 166 0.1849 0.7224 0.8267 -0.0433 -0.0400 0.0011 176 ALA D CB ? ? 1 +14189 C C . ALA D 166 0.1709 0.7224 0.8255 -0.0471 -0.0407 0.0043 176 ALA D C ? ? 1 +14190 O O . ALA D 166 0.1645 0.7226 0.8210 -0.0455 -0.0410 0.0052 176 ALA D O ? ? 1 +14191 N N . ALA D 167 0.1734 0.7246 0.8313 -0.0515 -0.0419 0.0035 177 ALA D N ? ? 1 +14192 C CA . ALA D 167 0.1674 0.7269 0.8319 -0.0544 -0.0438 0.0035 177 ALA D CA ? ? 1 +14193 C CB . ALA D 167 0.1715 0.7292 0.8390 -0.0596 -0.0450 0.0018 177 ALA D CB ? ? 1 +14194 C C . ALA D 167 0.1586 0.7248 0.8281 -0.0532 -0.0419 0.0068 177 ALA D C ? ? 1 +14195 O O . ALA D 167 0.1526 0.7264 0.8256 -0.0527 -0.0429 0.0074 177 ALA D O ? ? 1 +14196 N N . ILE D 168 0.1598 0.7228 0.8293 -0.0526 -0.0392 0.0089 178 ILE D N ? ? 1 +14197 C CA . ILE D 168 0.1524 0.7209 0.8256 -0.0509 -0.0374 0.0120 178 ILE D CA ? ? 1 +14198 C CB . ILE D 168 0.1569 0.7196 0.8287 -0.0506 -0.0349 0.0138 178 ILE D CB ? ? 1 +14199 C CG1 . ILE D 168 0.1593 0.7207 0.8342 -0.0554 -0.0348 0.0137 178 ILE D CG1 ? ? 1 +14200 C CG2 . ILE D 168 0.1512 0.7174 0.8244 -0.0472 -0.0330 0.0167 178 ILE D CG2 ? ? 1 +14201 C CD1 . ILE D 168 0.1512 0.7210 0.8326 -0.0571 -0.0347 0.0152 178 ILE D CD1 ? ? 1 +14202 C C . ILE D 168 0.1469 0.7190 0.8188 -0.0466 -0.0368 0.0129 178 ILE D C ? ? 1 +14203 O O . ILE D 168 0.1394 0.7186 0.8152 -0.0460 -0.0366 0.0145 178 ILE D O ? ? 1 +14204 N N . PHE D 169 0.1511 0.7183 0.8174 -0.0438 -0.0364 0.0118 179 PHE D N ? ? 1 +14205 C CA . PHE D 169 0.1467 0.7176 0.8120 -0.0402 -0.0356 0.0124 179 PHE D CA ? ? 1 +14206 C CB . PHE D 169 0.1526 0.7171 0.8114 -0.0372 -0.0347 0.0111 179 PHE D CB ? ? 1 +14207 C CG . PHE D 169 0.1567 0.7150 0.8132 -0.0355 -0.0327 0.0117 179 PHE D CG ? ? 1 +14208 C CD1 . PHE D 169 0.1529 0.7125 0.8127 -0.0353 -0.0314 0.0140 179 PHE D CD1 ? ? 1 +14209 C CD2 . PHE D 169 0.1650 0.7156 0.8154 -0.0338 -0.0322 0.0099 179 PHE D CD2 ? ? 1 +14210 C CE1 . PHE D 169 0.1579 0.7112 0.8150 -0.0333 -0.0299 0.0146 179 PHE D CE1 ? ? 1 +14211 C CE2 . PHE D 169 0.1697 0.7141 0.8177 -0.0319 -0.0306 0.0104 179 PHE D CE2 ? ? 1 +14212 C CZ . PHE D 169 0.1663 0.7120 0.8176 -0.0316 -0.0295 0.0128 179 PHE D CZ ? ? 1 +14213 C C . PHE D 169 0.1423 0.7192 0.8093 -0.0411 -0.0377 0.0118 179 PHE D C ? ? 1 +14214 O O . PHE D 169 0.1359 0.7187 0.8053 -0.0397 -0.0371 0.0132 179 PHE D O ? ? 1 +14215 N N . ARG D 170 0.1469 0.7224 0.8129 -0.0436 -0.0403 0.0094 180 ARG D N ? ? 1 +14216 C CA . ARG D 170 0.1432 0.7243 0.8108 -0.0444 -0.0427 0.0086 180 ARG D CA ? ? 1 +14217 C CB . ARG D 170 0.1502 0.7286 0.8163 -0.0470 -0.0458 0.0056 180 ARG D CB ? ? 1 +14218 C CG . ARG D 170 0.1473 0.7320 0.8164 -0.0483 -0.0489 0.0046 180 ARG D CG ? ? 1 +14219 C CD . ARG D 170 0.1435 0.7334 0.8203 -0.0518 -0.0496 0.0050 180 ARG D CD ? ? 1 +14220 N NE . ARG D 170 0.1408 0.7372 0.8210 -0.0527 -0.0526 0.0039 180 ARG D NE ? ? 1 +14221 C CZ . ARG D 170 0.1348 0.7380 0.8220 -0.0545 -0.0528 0.0048 180 ARG D CZ ? ? 1 +14222 N NH1 . ARG D 170 0.1326 0.7364 0.8241 -0.0565 -0.0505 0.0064 180 ARG D NH1 ? ? 1 +14223 N NH2 . ARG D 170 0.1321 0.7414 0.8217 -0.0541 -0.0554 0.0042 180 ARG D NH2 ? ? 1 +14224 C C . ARG D 170 0.1338 0.7226 0.8084 -0.0456 -0.0425 0.0107 180 ARG D C ? ? 1 +14225 O O . ARG D 170 0.1287 0.7228 0.8046 -0.0443 -0.0429 0.0115 180 ARG D O ? ? 1 +14226 N N . PHE D 171 0.1324 0.7212 0.8109 -0.0480 -0.0418 0.0115 181 PHE D N ? ? 1 +14227 C CA . PHE D 171 0.1248 0.7201 0.8095 -0.0493 -0.0413 0.0134 181 PHE D CA ? ? 1 +14228 C CB . PHE D 171 0.1269 0.7197 0.8141 -0.0521 -0.0401 0.0140 181 PHE D CB ? ? 1 +14229 C CG . PHE D 171 0.1218 0.7209 0.8154 -0.0544 -0.0399 0.0152 181 PHE D CG ? ? 1 +14230 C CD1 . PHE D 171 0.1210 0.7249 0.8187 -0.0571 -0.0422 0.0135 181 PHE D CD1 ? ? 1 +14231 C CD2 . PHE D 171 0.1182 0.7185 0.8137 -0.0537 -0.0375 0.0179 181 PHE D CD2 ? ? 1 +14232 C CE1 . PHE D 171 0.1161 0.7260 0.8200 -0.0591 -0.0418 0.0145 181 PHE D CE1 ? ? 1 +14233 C CE2 . PHE D 171 0.1135 0.7193 0.8145 -0.0557 -0.0371 0.0190 181 PHE D CE2 ? ? 1 +14234 C CZ . PHE D 171 0.1130 0.7236 0.8182 -0.0584 -0.0391 0.0173 181 PHE D CZ ? ? 1 +14235 C C . PHE D 171 0.1181 0.7169 0.8033 -0.0462 -0.0393 0.0159 181 PHE D C ? ? 1 +14236 O O . PHE D 171 0.1116 0.7167 0.8000 -0.0459 -0.0398 0.0168 181 PHE D O ? ? 1 +14237 N N . LEU D 172 0.1198 0.7146 0.8020 -0.0437 -0.0372 0.0169 182 LEU D N ? ? 1 +14238 C CA . LEU D 172 0.1139 0.7120 0.7968 -0.0408 -0.0354 0.0189 182 LEU D CA ? ? 1 +14239 C CB . LEU D 172 0.1189 0.7120 0.7983 -0.0381 -0.0334 0.0192 182 LEU D CB ? ? 1 +14240 C CG . LEU D 172 0.1248 0.7125 0.8035 -0.0388 -0.0325 0.0196 182 LEU D CG ? ? 1 +14241 C CD1 . LEU D 172 0.1305 0.7136 0.8056 -0.0354 -0.0308 0.0198 182 LEU D CD1 ? ? 1 +14242 C CD2 . LEU D 172 0.1206 0.7113 0.8034 -0.0399 -0.0319 0.0217 182 LEU D CD2 ? ? 1 +14243 C C . LEU D 172 0.1093 0.7112 0.7913 -0.0394 -0.0360 0.0185 182 LEU D C ? ? 1 +14244 O O . LEU D 172 0.1025 0.7099 0.7875 -0.0388 -0.0356 0.0200 182 LEU D O ? ? 1 +14245 N N A LEU D 173 0.1139 0.7123 0.7912 -0.0388 -0.0371 0.0165 183 LEU D N ? ? 1 +14246 N N B LEU D 173 0.1139 0.7123 0.7912 -0.0388 -0.0371 0.0165 183 LEU D N ? ? 1 +14247 C CA A LEU D 173 0.1126 0.7128 0.7873 -0.0371 -0.0374 0.0161 183 LEU D CA ? ? 1 +14248 C CA B LEU D 173 0.1124 0.7127 0.7872 -0.0371 -0.0374 0.0161 183 LEU D CA ? ? 1 +14249 C C A LEU D 173 0.1087 0.7138 0.7859 -0.0386 -0.0398 0.0159 183 LEU D C ? ? 1 +14250 C C B LEU D 173 0.1086 0.7137 0.7858 -0.0386 -0.0398 0.0159 183 LEU D C ? ? 1 +14251 O O A LEU D 173 0.1048 0.7133 0.7820 -0.0373 -0.0395 0.0168 183 LEU D O ? ? 1 +14252 O O B LEU D 173 0.1045 0.7131 0.7817 -0.0373 -0.0395 0.0168 183 LEU D O ? ? 1 +14253 C CB A LEU D 173 0.1204 0.7146 0.7886 -0.0360 -0.0378 0.0140 183 LEU D CB ? ? 1 +14254 C CB B LEU D 173 0.1206 0.7147 0.7887 -0.0360 -0.0378 0.0140 183 LEU D CB ? ? 1 +14255 C CG A LEU D 173 0.1243 0.7137 0.7897 -0.0339 -0.0352 0.0141 183 LEU D CG ? ? 1 +14256 C CG B LEU D 173 0.1247 0.7140 0.7900 -0.0339 -0.0352 0.0141 183 LEU D CG ? ? 1 +14257 C CD1 A LEU D 173 0.1323 0.7158 0.7907 -0.0324 -0.0353 0.0120 183 LEU D CD1 ? ? 1 +14258 C CD1 B LEU D 173 0.1328 0.7161 0.7911 -0.0325 -0.0353 0.0119 183 LEU D CD1 ? ? 1 +14259 C CD2 A LEU D 173 0.1190 0.7122 0.7866 -0.0316 -0.0325 0.0161 183 LEU D CD2 ? ? 1 +14260 C CD2 B LEU D 173 0.1194 0.7124 0.7869 -0.0316 -0.0325 0.0160 183 LEU D CD2 ? ? 1 +14261 N N . PHE D 174 0.1100 0.7153 0.7894 -0.0412 -0.0421 0.0146 184 PHE D N ? ? 1 +14262 C CA . PHE D 174 0.1061 0.7169 0.7892 -0.0426 -0.0444 0.0143 184 PHE D CA ? ? 1 +14263 C CB . PHE D 174 0.1096 0.7205 0.7957 -0.0459 -0.0466 0.0125 184 PHE D CB ? ? 1 +14264 C CG . PHE D 174 0.1069 0.7240 0.7975 -0.0472 -0.0492 0.0119 184 PHE D CG ? ? 1 +14265 C CD1 . PHE D 174 0.1008 0.7237 0.7973 -0.0480 -0.0483 0.0136 184 PHE D CD1 ? ? 1 +14266 C CD2 . PHE D 174 0.1115 0.7288 0.8004 -0.0475 -0.0526 0.0094 184 PHE D CD2 ? ? 1 +14267 C CE1 . PHE D 174 0.0989 0.7278 0.7999 -0.0490 -0.0505 0.0129 184 PHE D CE1 ? ? 1 +14268 C CE2 . PHE D 174 0.1092 0.7327 0.8028 -0.0485 -0.0552 0.0086 184 PHE D CE2 ? ? 1 +14269 C CZ . PHE D 174 0.1025 0.7319 0.8022 -0.0492 -0.0541 0.0103 184 PHE D CZ ? ? 1 +14270 C C . PHE D 174 0.0975 0.7140 0.7854 -0.0424 -0.0429 0.0168 184 PHE D C ? ? 1 +14271 O O . PHE D 174 0.0937 0.7142 0.7823 -0.0415 -0.0436 0.0173 184 PHE D O ? ? 1 +14272 N N . PHE D 175 0.0951 0.7113 0.7857 -0.0430 -0.0408 0.0183 185 PHE D N ? ? 1 +14273 C CA . PHE D 175 0.0885 0.7096 0.7834 -0.0429 -0.0395 0.0205 185 PHE D CA ? ? 1 +14274 C CB . PHE D 175 0.0888 0.7085 0.7860 -0.0439 -0.0377 0.0218 185 PHE D CB ? ? 1 +14275 C CG . PHE D 175 0.0892 0.7105 0.7905 -0.0471 -0.0384 0.0215 185 PHE D CG ? ? 1 +14276 C CD1 . PHE D 175 0.0930 0.7136 0.7948 -0.0493 -0.0406 0.0192 185 PHE D CD1 ? ? 1 +14277 C CD2 . PHE D 175 0.0860 0.7100 0.7910 -0.0479 -0.0370 0.0234 185 PHE D CD2 ? ? 1 +14278 C CE1 . PHE D 175 0.0933 0.7161 0.7997 -0.0526 -0.0410 0.0188 185 PHE D CE1 ? ? 1 +14279 C CE2 . PHE D 175 0.0865 0.7121 0.7955 -0.0510 -0.0372 0.0231 185 PHE D CE2 ? ? 1 +14280 C CZ . PHE D 175 0.0898 0.7151 0.7998 -0.0534 -0.0391 0.0208 185 PHE D CZ ? ? 1 +14281 C C . PHE D 175 0.0847 0.7076 0.7781 -0.0402 -0.0381 0.0219 185 PHE D C ? ? 1 +14282 O O . PHE D 175 0.0797 0.7072 0.7760 -0.0401 -0.0379 0.0232 185 PHE D O ? ? 1 +14283 N N A GLN D 176 0.0879 0.7071 0.7768 -0.0382 -0.0370 0.0215 186 GLN D N ? ? 1 +14284 N N B GLN D 176 0.0880 0.7072 0.7769 -0.0382 -0.0370 0.0215 186 GLN D N ? ? 1 +14285 C CA A GLN D 176 0.0853 0.7061 0.7729 -0.0361 -0.0354 0.0225 186 GLN D CA ? ? 1 +14286 C CA B GLN D 176 0.0853 0.7061 0.7729 -0.0361 -0.0354 0.0224 186 GLN D CA ? ? 1 +14287 C C A GLN D 176 0.0857 0.7080 0.7712 -0.0358 -0.0369 0.0218 186 GLN D C ? ? 1 +14288 C C B GLN D 176 0.0857 0.7080 0.7712 -0.0358 -0.0369 0.0218 186 GLN D C ? ? 1 +14289 O O A GLN D 176 0.0814 0.7073 0.7685 -0.0354 -0.0366 0.0230 186 GLN D O ? ? 1 +14290 O O B GLN D 176 0.0814 0.7074 0.7685 -0.0354 -0.0366 0.0230 186 GLN D O ? ? 1 +14291 C CB A GLN D 176 0.0890 0.7056 0.7726 -0.0341 -0.0335 0.0220 186 GLN D CB ? ? 1 +14292 C CB B GLN D 176 0.0892 0.7057 0.7727 -0.0341 -0.0335 0.0220 186 GLN D CB ? ? 1 +14293 C CG A GLN D 176 0.0871 0.7053 0.7693 -0.0323 -0.0317 0.0226 186 GLN D CG ? ? 1 +14294 C CG B GLN D 176 0.0872 0.7054 0.7694 -0.0322 -0.0316 0.0226 186 GLN D CG ? ? 1 +14295 C CD A GLN D 176 0.0804 0.7037 0.7671 -0.0323 -0.0306 0.0245 186 GLN D CD ? ? 1 +14296 C CD B GLN D 176 0.0805 0.7039 0.7673 -0.0322 -0.0306 0.0245 186 GLN D CD ? ? 1 +14297 O OE1 A GLN D 176 0.0777 0.7023 0.7678 -0.0324 -0.0300 0.0255 186 GLN D OE1 ? ? 1 +14298 O OE1 B GLN D 176 0.0778 0.7024 0.7679 -0.0323 -0.0299 0.0255 186 GLN D OE1 ? ? 1 +14299 N NE2 A GLN D 176 0.0781 0.7040 0.7645 -0.0321 -0.0305 0.0250 186 GLN D NE2 ? ? 1 +14300 N NE2 B GLN D 176 0.0782 0.7041 0.7646 -0.0321 -0.0305 0.0250 186 GLN D NE2 ? ? 1 +14301 N N A GLY D 177 0.0917 0.7106 0.7732 -0.0359 -0.0388 0.0199 187 GLY D N ? ? 1 +14302 N N B GLY D 177 0.0918 0.7107 0.7733 -0.0359 -0.0388 0.0199 187 GLY D N ? ? 1 +14303 C CA A GLY D 177 0.0940 0.7130 0.7721 -0.0351 -0.0405 0.0191 187 GLY D CA ? ? 1 +14304 C CA B GLY D 177 0.0942 0.7131 0.7722 -0.0351 -0.0405 0.0191 187 GLY D CA ? ? 1 +14305 C C A GLY D 177 0.0907 0.7147 0.7727 -0.0360 -0.0427 0.0194 187 GLY D C ? ? 1 +14306 C C B GLY D 177 0.0908 0.7148 0.7727 -0.0360 -0.0427 0.0194 187 GLY D C ? ? 1 +14307 O O A GLY D 177 0.0897 0.7151 0.7700 -0.0348 -0.0428 0.0201 187 GLY D O ? ? 1 +14308 O O B GLY D 177 0.0898 0.7153 0.7702 -0.0348 -0.0428 0.0201 187 GLY D O ? ? 1 +14309 N N . PHE D 178 0.0896 0.7160 0.7764 -0.0382 -0.0441 0.0189 188 PHE D N ? ? 1 +14310 C CA . PHE D 178 0.0875 0.7189 0.7785 -0.0391 -0.0462 0.0188 188 PHE D CA ? ? 1 +14311 C CB . PHE D 178 0.0912 0.7231 0.7849 -0.0414 -0.0488 0.0167 188 PHE D CB ? ? 1 +14312 C CG . PHE D 178 0.0990 0.7274 0.7875 -0.0407 -0.0516 0.0143 188 PHE D CG ? ? 1 +14313 C CD1 . PHE D 178 0.1050 0.7272 0.7883 -0.0403 -0.0508 0.0134 188 PHE D CD1 ? ? 1 +14314 C CD2 . PHE D 178 0.1011 0.7322 0.7898 -0.0403 -0.0550 0.0129 188 PHE D CD2 ? ? 1 +14315 C CE1 . PHE D 178 0.1125 0.7310 0.7904 -0.0397 -0.0534 0.0111 188 PHE D CE1 ? ? 1 +14316 C CE2 . PHE D 178 0.1082 0.7359 0.7917 -0.0395 -0.0578 0.0105 188 PHE D CE2 ? ? 1 +14317 C CZ . PHE D 178 0.1142 0.7354 0.7920 -0.0393 -0.0570 0.0097 188 PHE D CZ ? ? 1 +14318 C C . PHE D 178 0.0807 0.7168 0.7770 -0.0395 -0.0445 0.0209 188 PHE D C ? ? 1 +14319 O O . PHE D 178 0.0781 0.7178 0.7758 -0.0388 -0.0452 0.0215 188 PHE D O ? ? 1 +14320 N N . HIS D 179 0.0789 0.7144 0.7775 -0.0404 -0.0423 0.0220 189 HIS D N ? ? 1 +14321 C CA . HIS D 179 0.0732 0.7124 0.7762 -0.0409 -0.0408 0.0239 189 HIS D CA ? ? 1 +14322 C CB . HIS D 179 0.0739 0.7124 0.7801 -0.0431 -0.0401 0.0240 189 HIS D CB ? ? 1 +14323 C CG . HIS D 179 0.0763 0.7162 0.7854 -0.0455 -0.0421 0.0223 189 HIS D CG ? ? 1 +14324 N ND1 . HIS D 179 0.0739 0.7190 0.7866 -0.0459 -0.0437 0.0218 189 HIS D ND1 ? ? 1 +14325 C CE1 . HIS D 179 0.0769 0.7226 0.7923 -0.0483 -0.0452 0.0200 189 HIS D CE1 ? ? 1 +14326 N NE2 . HIS D 179 0.0814 0.7220 0.7947 -0.0495 -0.0446 0.0194 189 HIS D NE2 ? ? 1 +14327 C CD2 . HIS D 179 0.0811 0.7179 0.7903 -0.0475 -0.0426 0.0209 189 HIS D CD2 ? ? 1 +14328 C C . HIS D 179 0.0698 0.7090 0.7719 -0.0393 -0.0383 0.0258 189 HIS D C ? ? 1 +14329 O O . HIS D 179 0.0654 0.7076 0.7706 -0.0394 -0.0372 0.0273 189 HIS D O ? ? 1 +14330 N N . ASN D 180 0.0720 0.7077 0.7697 -0.0377 -0.0373 0.0255 190 ASN D N ? ? 1 +14331 C CA . ASN D 180 0.0696 0.7054 0.7668 -0.0363 -0.0349 0.0268 190 ASN D CA ? ? 1 +14332 C CB . ASN D 180 0.0665 0.7051 0.7635 -0.0354 -0.0346 0.0277 190 ASN D CB ? ? 1 +14333 C CG . ASN D 180 0.0662 0.7039 0.7613 -0.0340 -0.0322 0.0283 190 ASN D CG ? ? 1 +14334 O OD1 . ASN D 180 0.0679 0.7032 0.7615 -0.0333 -0.0310 0.0278 190 ASN D OD1 ? ? 1 +14335 N ND2 . ASN D 180 0.0635 0.7033 0.7587 -0.0336 -0.0315 0.0291 190 ASN D ND2 ? ? 1 +14336 C C . ASN D 180 0.0666 0.7035 0.7673 -0.0368 -0.0337 0.0281 190 ASN D C ? ? 1 +14337 O O . ASN D 180 0.0632 0.7029 0.7659 -0.0364 -0.0326 0.0294 190 ASN D O ? ? 1 +14338 N N . TRP D 181 0.0693 0.7033 0.7701 -0.0377 -0.0339 0.0275 191 TRP D N ? ? 1 +14339 C CA . TRP D 181 0.0682 0.7021 0.7715 -0.0384 -0.0329 0.0287 191 TRP D CA ? ? 1 +14340 C CB . TRP D 181 0.0729 0.7028 0.7754 -0.0400 -0.0336 0.0276 191 TRP D CB ? ? 1 +14341 C CG . TRP D 181 0.0745 0.7021 0.7781 -0.0409 -0.0326 0.0285 191 TRP D CG ? ? 1 +14342 C CD1 . TRP D 181 0.0799 0.7020 0.7810 -0.0408 -0.0321 0.0280 191 TRP D CD1 ? ? 1 +14343 N NE1 . TRP D 181 0.0810 0.7016 0.7833 -0.0418 -0.0312 0.0293 191 TRP D NE1 ? ? 1 +14344 C CE2 . TRP D 181 0.0763 0.7017 0.7820 -0.0427 -0.0310 0.0305 191 TRP D CE2 ? ? 1 +14345 C CZ2 . TRP D 181 0.0761 0.7016 0.7835 -0.0438 -0.0300 0.0320 191 TRP D CZ2 ? ? 1 +14346 C CH2 . TRP D 181 0.0711 0.7019 0.7816 -0.0443 -0.0299 0.0328 191 TRP D CH2 ? ? 1 +14347 C CZ3 . TRP D 181 0.0668 0.7025 0.7787 -0.0437 -0.0310 0.0323 191 TRP D CZ3 ? ? 1 +14348 C CE3 . TRP D 181 0.0674 0.7025 0.7773 -0.0426 -0.0320 0.0309 191 TRP D CE3 ? ? 1 +14349 C CD2 . TRP D 181 0.0720 0.7020 0.7788 -0.0421 -0.0320 0.0300 191 TRP D CD2 ? ? 1 +14350 C C . TRP D 181 0.0676 0.7010 0.7706 -0.0364 -0.0311 0.0298 191 TRP D C ? ? 1 +14351 O O . TRP D 181 0.0661 0.7002 0.7710 -0.0365 -0.0304 0.0311 191 TRP D O ? ? 1 +14352 N N A THR D 182 0.0690 0.7012 0.7696 -0.0346 -0.0303 0.0293 192 THR D N ? ? 1 +14353 N N B THR D 182 0.0689 0.7011 0.7694 -0.0346 -0.0303 0.0293 192 THR D N ? ? 1 +14354 C CA A THR D 182 0.0681 0.7011 0.7693 -0.0327 -0.0287 0.0301 192 THR D CA ? ? 1 +14355 C CA B THR D 182 0.0681 0.7011 0.7693 -0.0327 -0.0287 0.0301 192 THR D CA ? ? 1 +14356 C C A THR D 182 0.0629 0.7008 0.7669 -0.0326 -0.0283 0.0313 192 THR D C ? ? 1 +14357 C C B THR D 182 0.0630 0.7009 0.7671 -0.0326 -0.0283 0.0313 192 THR D C ? ? 1 +14358 O O A THR D 182 0.0612 0.7006 0.7669 -0.0315 -0.0275 0.0322 192 THR D O ? ? 1 +14359 O O B THR D 182 0.0612 0.7005 0.7669 -0.0315 -0.0276 0.0322 192 THR D O ? ? 1 +14360 C CB A THR D 182 0.0706 0.7020 0.7693 -0.0309 -0.0275 0.0290 192 THR D CB ? ? 1 +14361 C CB B THR D 182 0.0706 0.7020 0.7693 -0.0309 -0.0275 0.0290 192 THR D CB ? ? 1 +14362 O OG1 A THR D 182 0.0712 0.7028 0.7677 -0.0314 -0.0279 0.0282 192 THR D OG1 ? ? 1 +14363 O OG1 B THR D 182 0.0712 0.7029 0.7678 -0.0314 -0.0278 0.0283 192 THR D OG1 ? ? 1 +14364 C CG2 A THR D 182 0.0761 0.7023 0.7721 -0.0302 -0.0273 0.0280 192 THR D CG2 ? ? 1 +14365 C CG2 B THR D 182 0.0762 0.7025 0.7722 -0.0302 -0.0273 0.0280 192 THR D CG2 ? ? 1 +14366 N N . LEU D 183 0.0610 0.7012 0.7654 -0.0337 -0.0291 0.0313 193 LEU D N ? ? 1 +14367 C CA . LEU D 183 0.0567 0.7009 0.7632 -0.0337 -0.0288 0.0323 193 LEU D CA ? ? 1 +14368 C CB . LEU D 183 0.0557 0.7009 0.7607 -0.0341 -0.0293 0.0319 193 LEU D CB ? ? 1 +14369 C CG . LEU D 183 0.0525 0.7005 0.7583 -0.0337 -0.0285 0.0326 193 LEU D CG ? ? 1 +14370 C CD1 . LEU D 183 0.0529 0.7012 0.7584 -0.0326 -0.0265 0.0324 193 LEU D CD1 ? ? 1 +14371 C CD2 . LEU D 183 0.0529 0.7010 0.7567 -0.0340 -0.0292 0.0323 193 LEU D CD2 ? ? 1 +14372 C C . LEU D 183 0.0551 0.7011 0.7642 -0.0347 -0.0293 0.0335 193 LEU D C ? ? 1 +14373 O O . LEU D 183 0.0518 0.7008 0.7625 -0.0345 -0.0290 0.0344 193 LEU D O ? ? 1 +14374 N N . ASN D 184 0.0582 0.7021 0.7676 -0.0357 -0.0298 0.0335 194 ASN D N ? ? 1 +14375 C CA . ASN D 184 0.0571 0.7024 0.7687 -0.0370 -0.0300 0.0344 194 ASN D CA ? ? 1 +14376 C CB . ASN D 184 0.0600 0.7030 0.7716 -0.0388 -0.0307 0.0337 194 ASN D CB ? ? 1 +14377 C CG . ASN D 184 0.0582 0.7037 0.7726 -0.0405 -0.0307 0.0344 194 ASN D CG ? ? 1 +14378 O OD1 . ASN D 184 0.0578 0.7031 0.7728 -0.0406 -0.0298 0.0357 194 ASN D OD1 ? ? 1 +14379 N ND2 . ASN D 184 0.0578 0.7055 0.7735 -0.0416 -0.0319 0.0334 194 ASN D ND2 ? ? 1 +14380 C C . ASN D 184 0.0579 0.7026 0.7697 -0.0360 -0.0291 0.0357 194 ASN D C ? ? 1 +14381 O O . ASN D 184 0.0617 0.7031 0.7722 -0.0351 -0.0287 0.0357 194 ASN D O ? ? 1 +14382 N N . PRO D 185 0.0551 0.7026 0.7685 -0.0359 -0.0289 0.0369 195 PRO D N ? ? 1 +14383 C CA . PRO D 185 0.0558 0.7028 0.7690 -0.0346 -0.0284 0.0380 195 PRO D CA ? ? 1 +14384 C CB . PRO D 185 0.0522 0.7028 0.7667 -0.0347 -0.0284 0.0388 195 PRO D CB ? ? 1 +14385 C CG . PRO D 185 0.0501 0.7027 0.7658 -0.0363 -0.0287 0.0384 195 PRO D CG ? ? 1 +14386 C CD . PRO D 185 0.0515 0.7027 0.7664 -0.0367 -0.0292 0.0370 195 PRO D CD ? ? 1 +14387 C C . PRO D 185 0.0604 0.7033 0.7723 -0.0352 -0.0280 0.0387 195 PRO D C ? ? 1 +14388 O O . PRO D 185 0.0620 0.7027 0.7725 -0.0336 -0.0278 0.0394 195 PRO D O ? ? 1 +14389 N N . PHE D 186 0.0621 0.7042 0.7746 -0.0375 -0.0280 0.0385 196 PHE D N ? ? 1 +14390 C CA . PHE D 186 0.0672 0.7049 0.7784 -0.0386 -0.0273 0.0390 196 PHE D CA ? ? 1 +14391 C CB . PHE D 186 0.0673 0.7059 0.7804 -0.0416 -0.0271 0.0386 196 PHE D CB ? ? 1 +14392 C CG . PHE D 186 0.0638 0.7062 0.7789 -0.0421 -0.0265 0.0396 196 PHE D CG ? ? 1 +14393 C CD1 . PHE D 186 0.0658 0.7063 0.7794 -0.0418 -0.0253 0.0412 196 PHE D CD1 ? ? 1 +14394 C CD2 . PHE D 186 0.0596 0.7068 0.7772 -0.0425 -0.0273 0.0389 196 PHE D CD2 ? ? 1 +14395 C CE1 . PHE D 186 0.0635 0.7072 0.7784 -0.0422 -0.0247 0.0421 196 PHE D CE1 ? ? 1 +14396 C CE2 . PHE D 186 0.0571 0.7076 0.7763 -0.0426 -0.0267 0.0398 196 PHE D CE2 ? ? 1 +14397 C CZ . PHE D 186 0.0591 0.7079 0.7769 -0.0426 -0.0253 0.0413 196 PHE D CZ ? ? 1 +14398 C C . PHE D 186 0.0728 0.7056 0.7814 -0.0378 -0.0273 0.0383 196 PHE D C ? ? 1 +14399 O O . PHE D 186 0.0769 0.7051 0.7832 -0.0372 -0.0267 0.0391 196 PHE D O ? ? 1 +14400 N N . HIS D 187 0.0741 0.7074 0.7828 -0.0377 -0.0280 0.0368 197 HIS D N ? ? 1 +14401 C CA . HIS D 187 0.0807 0.7097 0.7869 -0.0364 -0.0280 0.0359 197 HIS D CA ? ? 1 +14402 C CB . HIS D 187 0.0809 0.7106 0.7869 -0.0368 -0.0288 0.0341 197 HIS D CB ? ? 1 +14403 C CG . HIS D 187 0.0871 0.7119 0.7901 -0.0357 -0.0287 0.0331 197 HIS D CG ? ? 1 +14404 N ND1 . HIS D 187 0.0884 0.7135 0.7903 -0.0333 -0.0283 0.0325 197 HIS D ND1 ? ? 1 +14405 C CE1 . HIS D 187 0.0935 0.7134 0.7926 -0.0326 -0.0281 0.0316 197 HIS D CE1 ? ? 1 +14406 N NE2 . HIS D 187 0.0967 0.7126 0.7948 -0.0346 -0.0284 0.0316 197 HIS D NE2 ? ? 1 +14407 C CD2 . HIS D 187 0.0930 0.7123 0.7939 -0.0367 -0.0286 0.0325 197 HIS D CD2 ? ? 1 +14408 C C . HIS D 187 0.0824 0.7113 0.7876 -0.0332 -0.0277 0.0366 197 HIS D C ? ? 1 +14409 O O . HIS D 187 0.0857 0.7102 0.7886 -0.0318 -0.0274 0.0367 197 HIS D O ? ? 1 +14410 N N . MET D 188 0.0805 0.7143 0.7876 -0.0321 -0.0278 0.0368 198 MET D N ? ? 1 +14411 C CA . MET D 188 0.0834 0.7183 0.7906 -0.0293 -0.0277 0.0371 198 MET D CA ? ? 1 +14412 C CB . MET D 188 0.0797 0.7204 0.7895 -0.0290 -0.0278 0.0371 198 MET D CB ? ? 1 +14413 C CG . MET D 188 0.0797 0.7223 0.7899 -0.0295 -0.0275 0.0357 198 MET D CG ? ? 1 +14414 S SD . MET D 188 0.0782 0.7264 0.7907 -0.0302 -0.0275 0.0360 198 MET D SD ? ? 1 +14415 C CE . MET D 188 0.0772 0.7257 0.7888 -0.0305 -0.0269 0.0346 198 MET D CE ? ? 1 +14416 C C . MET D 188 0.0870 0.7192 0.7928 -0.0280 -0.0277 0.0385 198 MET D C ? ? 1 +14417 O O . MET D 188 0.0907 0.7206 0.7951 -0.0255 -0.0277 0.0385 198 MET D O ? ? 1 +14418 N N . MET D 189 0.0865 0.7185 0.7922 -0.0297 -0.0276 0.0396 199 MET D N ? ? 1 +14419 C CA . MET D 189 0.0899 0.7186 0.7933 -0.0288 -0.0274 0.0412 199 MET D CA ? ? 1 +14420 C CB . MET D 189 0.0888 0.7186 0.7927 -0.0310 -0.0269 0.0423 199 MET D CB ? ? 1 +14421 C CG . MET D 189 0.0837 0.7192 0.7899 -0.0304 -0.0274 0.0425 199 MET D CG ? ? 1 +14422 S SD . MET D 189 0.0847 0.7206 0.7902 -0.0318 -0.0268 0.0441 199 MET D SD ? ? 1 +14423 C CE . MET D 189 0.0821 0.7203 0.7906 -0.0354 -0.0261 0.0432 199 MET D CE ? ? 1 +14424 C C . MET D 189 0.0969 0.7184 0.7969 -0.0286 -0.0269 0.0412 199 MET D C ? ? 1 +14425 O O . MET D 189 0.1021 0.7197 0.7992 -0.0263 -0.0270 0.0420 199 MET D O ? ? 1 +14426 N N . GLY D 190 0.0971 0.7167 0.7971 -0.0311 -0.0265 0.0402 200 GLY D N ? ? 1 +14427 C CA . GLY D 190 0.1033 0.7157 0.7999 -0.0313 -0.0260 0.0400 200 GLY D CA ? ? 1 +14428 C C . GLY D 190 0.1041 0.7142 0.7989 -0.0280 -0.0264 0.0392 200 GLY D C ? ? 1 +14429 O O . GLY D 190 0.1095 0.7136 0.8007 -0.0263 -0.0261 0.0397 200 GLY D O ? ? 1 +14430 N N . VAL D 191 0.0990 0.7138 0.7962 -0.0270 -0.0268 0.0379 201 VAL D N ? ? 1 +14431 C CA . VAL D 191 0.1001 0.7143 0.7966 -0.0238 -0.0269 0.0369 201 VAL D CA ? ? 1 +14432 C CB . VAL D 191 0.0951 0.7149 0.7944 -0.0235 -0.0269 0.0356 201 VAL D CB ? ? 1 +14433 C CG1 . VAL D 191 0.0977 0.7177 0.7969 -0.0199 -0.0266 0.0347 201 VAL D CG1 ? ? 1 +14434 C CG2 . VAL D 191 0.0948 0.7136 0.7936 -0.0261 -0.0268 0.0343 201 VAL D CG2 ? ? 1 +14435 C C . VAL D 191 0.1009 0.7150 0.7968 -0.0204 -0.0273 0.0380 201 VAL D C ? ? 1 +14436 O O . VAL D 191 0.1065 0.7161 0.7997 -0.0178 -0.0273 0.0380 201 VAL D O ? ? 1 +14437 N N A ALA D 192 0.0963 0.7152 0.7944 -0.0205 -0.0277 0.0390 202 ALA D N ? ? 1 +14438 N N B ALA D 192 0.0960 0.7150 0.7942 -0.0205 -0.0277 0.0390 202 ALA D N ? ? 1 +14439 C CA A ALA D 192 0.0974 0.7170 0.7951 -0.0173 -0.0286 0.0399 202 ALA D CA ? ? 1 +14440 C CA B ALA D 192 0.0972 0.7169 0.7950 -0.0173 -0.0285 0.0399 202 ALA D CA ? ? 1 +14441 C C A ALA D 192 0.1052 0.7170 0.7978 -0.0163 -0.0285 0.0413 202 ALA D C ? ? 1 +14442 C C B ALA D 192 0.1046 0.7165 0.7973 -0.0163 -0.0285 0.0413 202 ALA D C ? ? 1 +14443 O O A ALA D 192 0.1095 0.7190 0.8002 -0.0126 -0.0292 0.0416 202 ALA D O ? ? 1 +14444 O O B ALA D 192 0.1089 0.7185 0.7997 -0.0126 -0.0292 0.0416 202 ALA D O ? ? 1 +14445 C CB A ALA D 192 0.0917 0.7171 0.7920 -0.0182 -0.0291 0.0407 202 ALA D CB ? ? 1 +14446 C CB B ALA D 192 0.0916 0.7169 0.7919 -0.0182 -0.0291 0.0407 202 ALA D CB ? ? 1 +14447 N N A GLY D 193 0.1072 0.7149 0.7978 -0.0195 -0.0276 0.0422 203 GLY D N ? ? 1 +14448 N N B GLY D 193 0.1063 0.7140 0.7969 -0.0195 -0.0276 0.0422 203 GLY D N ? ? 1 +14449 C CA A GLY D 193 0.1151 0.7146 0.8004 -0.0193 -0.0270 0.0436 203 GLY D CA ? ? 1 +14450 C CA B GLY D 193 0.1140 0.7134 0.7993 -0.0192 -0.0270 0.0436 203 GLY D CA ? ? 1 +14451 C C A GLY D 193 0.1222 0.7145 0.8038 -0.0176 -0.0268 0.0430 203 GLY D C ? ? 1 +14452 C C B GLY D 193 0.1207 0.7130 0.8023 -0.0175 -0.0268 0.0429 203 GLY D C ? ? 1 +14453 O O A GLY D 193 0.1292 0.7151 0.8061 -0.0150 -0.0268 0.0440 203 GLY D O ? ? 1 +14454 O O B GLY D 193 0.1273 0.7134 0.8043 -0.0149 -0.0269 0.0440 203 GLY D O ? ? 1 +14455 N N A VAL D 194 0.1208 0.7139 0.8041 -0.0189 -0.0264 0.0412 204 VAL D N ? ? 1 +14456 N N B VAL D 194 0.1190 0.7120 0.8022 -0.0190 -0.0264 0.0412 204 VAL D N ? ? 1 +14457 C CA A VAL D 194 0.1278 0.7139 0.8075 -0.0177 -0.0261 0.0403 204 VAL D CA ? ? 1 +14458 C CA B VAL D 194 0.1255 0.7116 0.8052 -0.0178 -0.0261 0.0403 204 VAL D CA ? ? 1 +14459 C C A VAL D 194 0.1294 0.7167 0.8092 -0.0127 -0.0269 0.0396 204 VAL D C ? ? 1 +14460 C C B VAL D 194 0.1270 0.7143 0.8068 -0.0127 -0.0268 0.0396 204 VAL D C ? ? 1 +14461 O O A VAL D 194 0.1370 0.7176 0.8125 -0.0098 -0.0269 0.0398 204 VAL D O ? ? 1 +14462 O O B VAL D 194 0.1346 0.7152 0.8100 -0.0098 -0.0269 0.0400 204 VAL D O ? ? 1 +14463 C CB A VAL D 194 0.1262 0.7125 0.8072 -0.0211 -0.0256 0.0386 204 VAL D CB ? ? 1 +14464 C CB B VAL D 194 0.1238 0.7100 0.8048 -0.0211 -0.0256 0.0385 204 VAL D CB ? ? 1 +14465 C CG1 A VAL D 194 0.1325 0.7128 0.8103 -0.0194 -0.0254 0.0372 204 VAL D CG1 ? ? 1 +14466 C CG1 B VAL D 194 0.1303 0.7103 0.8079 -0.0194 -0.0253 0.0372 204 VAL D CG1 ? ? 1 +14467 C CG2 A VAL D 194 0.1273 0.7112 0.8080 -0.0258 -0.0248 0.0391 204 VAL D CG2 ? ? 1 +14468 C CG2 B VAL D 194 0.1248 0.7088 0.8055 -0.0259 -0.0248 0.0390 204 VAL D CG2 ? ? 1 +14469 N N A LEU D 195 0.1223 0.7182 0.8071 -0.0116 -0.0274 0.0387 205 LEU D N ? ? 1 +14470 N N B LEU D 195 0.1199 0.7156 0.8046 -0.0117 -0.0274 0.0386 205 LEU D N ? ? 1 +14471 C CA A LEU D 195 0.1232 0.7218 0.8094 -0.0072 -0.0279 0.0377 205 LEU D CA ? ? 1 +14472 C CA B LEU D 195 0.1207 0.7191 0.8068 -0.0072 -0.0279 0.0376 205 LEU D CA ? ? 1 +14473 C C A LEU D 195 0.1262 0.7246 0.8113 -0.0036 -0.0292 0.0390 205 LEU D C ? ? 1 +14474 C C B LEU D 195 0.1235 0.7218 0.8085 -0.0037 -0.0292 0.0390 205 LEU D C ? ? 1 +14475 O O A LEU D 195 0.1315 0.7267 0.8145 0.0006 -0.0297 0.0387 205 LEU D O ? ? 1 +14476 O O B LEU D 195 0.1283 0.7238 0.8114 0.0006 -0.0297 0.0387 205 LEU D O ? ? 1 +14477 C CB A LEU D 195 0.1149 0.7227 0.8069 -0.0077 -0.0278 0.0363 205 LEU D CB ? ? 1 +14478 C CB B LEU D 195 0.1124 0.7199 0.8042 -0.0077 -0.0278 0.0362 205 LEU D CB ? ? 1 +14479 C CG A LEU D 195 0.1136 0.7213 0.8060 -0.0103 -0.0268 0.0348 205 LEU D CG ? ? 1 +14480 C CG B LEU D 195 0.1109 0.7185 0.8032 -0.0103 -0.0267 0.0348 205 LEU D CG ? ? 1 +14481 C CD1 A LEU D 195 0.1073 0.7231 0.8044 -0.0100 -0.0263 0.0335 205 LEU D CD1 ? ? 1 +14482 C CD1 B LEU D 195 0.1047 0.7204 0.8018 -0.0100 -0.0263 0.0335 205 LEU D CD1 ? ? 1 +14483 C CD2 A LEU D 195 0.1211 0.7216 0.8094 -0.0089 -0.0261 0.0338 205 LEU D CD2 ? ? 1 +14484 C CD2 B LEU D 195 0.1183 0.7187 0.8065 -0.0091 -0.0261 0.0338 205 LEU D CD2 ? ? 1 +14485 N N A GLY D 196 0.1232 0.7247 0.8094 -0.0051 -0.0298 0.0403 206 GLY D N ? ? 1 +14486 N N B GLY D 196 0.1208 0.7217 0.8066 -0.0053 -0.0297 0.0404 206 GLY D N ? ? 1 +14487 C CA A GLY D 196 0.1270 0.7272 0.8109 -0.0021 -0.0311 0.0417 206 GLY D CA ? ? 1 +14488 C CA B GLY D 196 0.1239 0.7239 0.8077 -0.0024 -0.0310 0.0418 206 GLY D CA ? ? 1 +14489 C C A GLY D 196 0.1380 0.7274 0.8147 -0.0003 -0.0309 0.0429 206 GLY D C ? ? 1 +14490 C C B GLY D 196 0.1347 0.7240 0.8112 -0.0007 -0.0309 0.0432 206 GLY D C ? ? 1 +14491 O O A GLY D 196 0.1443 0.7313 0.8187 0.0044 -0.0321 0.0431 206 GLY D O ? ? 1 +14492 O O B GLY D 196 0.1412 0.7283 0.8151 0.0037 -0.0322 0.0438 206 GLY D O ? ? 1 +14493 N N A GLY D 197 0.1409 0.7239 0.8143 -0.0041 -0.0294 0.0437 207 GLY D N ? ? 1 +14494 N N B GLY D 197 0.1377 0.7204 0.8109 -0.0042 -0.0293 0.0437 207 GLY D N ? ? 1 +14495 C CA A GLY D 197 0.1517 0.7235 0.8178 -0.0034 -0.0287 0.0449 207 GLY D CA ? ? 1 +14496 C CA B GLY D 197 0.1483 0.7198 0.8142 -0.0033 -0.0287 0.0449 207 GLY D CA ? ? 1 +14497 C C A GLY D 197 0.1582 0.7250 0.8216 0.0006 -0.0290 0.0439 207 GLY D C ? ? 1 +14498 C C B GLY D 197 0.1544 0.7211 0.8177 0.0007 -0.0290 0.0439 207 GLY D C ? ? 1 +14499 O O A GLY D 197 0.1671 0.7266 0.8248 0.0041 -0.0295 0.0449 207 GLY D O ? ? 1 +14500 O O B GLY D 197 0.1632 0.7227 0.8209 0.0043 -0.0295 0.0449 207 GLY D O ? ? 1 +14501 N N A ALA D 198 0.1549 0.7250 0.8217 0.0000 -0.0285 0.0418 208 ALA D N ? ? 1 +14502 N N B ALA D 198 0.1506 0.7207 0.8174 0.0001 -0.0285 0.0418 208 ALA D N ? ? 1 +14503 C CA A ALA D 198 0.1609 0.7276 0.8260 0.0040 -0.0286 0.0405 208 ALA D CA ? ? 1 +14504 C CA B ALA D 198 0.1564 0.7232 0.8216 0.0041 -0.0287 0.0404 208 ALA D CA ? ? 1 +14505 C C A ALA D 198 0.1615 0.7324 0.8282 0.0098 -0.0304 0.0404 208 ALA D C ? ? 1 +14506 C C B ALA D 198 0.1566 0.7280 0.8237 0.0099 -0.0304 0.0403 208 ALA D C ? ? 1 +14507 O O A ALA D 198 0.1698 0.7346 0.8321 0.0143 -0.0311 0.0406 208 ALA D O ? ? 1 +14508 O O B ALA D 198 0.1647 0.7303 0.8278 0.0145 -0.0310 0.0403 208 ALA D O ? ? 1 +14509 C CB A ALA D 198 0.1559 0.7268 0.8249 0.0023 -0.0278 0.0382 208 ALA D CB ? ? 1 +14510 C CB B ALA D 198 0.1517 0.7224 0.8206 0.0022 -0.0277 0.0382 208 ALA D CB ? ? 1 +14511 N N A LEU D 199 0.1531 0.7345 0.8260 0.0096 -0.0313 0.0401 209 LEU D N ? ? 1 +14512 N N B LEU D 199 0.1483 0.7299 0.8214 0.0098 -0.0314 0.0400 209 LEU D N ? ? 1 +14513 C CA A LEU D 199 0.1525 0.7399 0.8285 0.0145 -0.0333 0.0397 209 LEU D CA ? ? 1 +14514 C CA B LEU D 199 0.1477 0.7352 0.8237 0.0147 -0.0333 0.0396 209 LEU D CA ? ? 1 +14515 C C A LEU D 199 0.1612 0.7420 0.8312 0.0179 -0.0348 0.0416 209 LEU D C ? ? 1 +14516 C C B LEU D 199 0.1567 0.7374 0.8266 0.0181 -0.0348 0.0415 209 LEU D C ? ? 1 +14517 O O A LEU D 199 0.1669 0.7463 0.8354 0.0234 -0.0363 0.0412 209 LEU D O ? ? 1 +14518 O O B LEU D 199 0.1625 0.7415 0.8308 0.0236 -0.0363 0.0412 209 LEU D O ? ? 1 +14519 C CB A LEU D 199 0.1420 0.7407 0.8251 0.0124 -0.0338 0.0392 209 LEU D CB ? ? 1 +14520 C CB B LEU D 199 0.1372 0.7359 0.8203 0.0126 -0.0339 0.0392 209 LEU D CB ? ? 1 +14521 C CG A LEU D 199 0.1397 0.7464 0.8274 0.0167 -0.0359 0.0383 209 LEU D CG ? ? 1 +14522 C CG B LEU D 199 0.1350 0.7419 0.8228 0.0169 -0.0360 0.0383 209 LEU D CG ? ? 1 +14523 C CD1 A LEU D 199 0.1293 0.7468 0.8245 0.0140 -0.0358 0.0372 209 LEU D CD1 ? ? 1 +14524 C CD1 B LEU D 199 0.1244 0.7422 0.8199 0.0143 -0.0358 0.0371 209 LEU D CD1 ? ? 1 +14525 C CD2 A LEU D 199 0.1452 0.7484 0.8286 0.0193 -0.0380 0.0401 209 LEU D CD2 ? ? 1 +14526 C CD2 B LEU D 199 0.1400 0.7440 0.8239 0.0196 -0.0382 0.0400 209 LEU D CD2 ? ? 1 +14527 N N A LEU D 200 0.1628 0.7395 0.8290 0.0148 -0.0345 0.0436 210 LEU D N ? ? 1 +14528 N N B LEU D 200 0.1581 0.7349 0.8244 0.0150 -0.0345 0.0436 210 LEU D N ? ? 1 +14529 C CA A LEU D 200 0.1717 0.7412 0.8311 0.0176 -0.0356 0.0457 210 LEU D CA ? ? 1 +14530 C CA B LEU D 200 0.1670 0.7364 0.8263 0.0178 -0.0357 0.0456 210 LEU D CA ? ? 1 +14531 C C A LEU D 200 0.1838 0.7414 0.8357 0.0204 -0.0351 0.0461 210 LEU D C ? ? 1 +14532 C C B LEU D 200 0.1793 0.7365 0.8309 0.0205 -0.0351 0.0462 210 LEU D C ? ? 1 +14533 O O A LEU D 200 0.1913 0.7447 0.8389 0.0259 -0.0368 0.0467 210 LEU D O ? ? 1 +14534 O O B LEU D 200 0.1871 0.7397 0.8340 0.0258 -0.0368 0.0469 210 LEU D O ? ? 1 +14535 C CB A LEU D 200 0.1713 0.7382 0.8280 0.0130 -0.0345 0.0477 210 LEU D CB ? ? 1 +14536 C CB B LEU D 200 0.1664 0.7332 0.8231 0.0132 -0.0346 0.0476 210 LEU D CB ? ? 1 +14537 C CG A LEU D 200 0.1622 0.7389 0.8242 0.0116 -0.0356 0.0477 210 LEU D CG ? ? 1 +14538 C CG B LEU D 200 0.1577 0.7342 0.8195 0.0120 -0.0357 0.0477 210 LEU D CG ? ? 1 +14539 C CD1 A LEU D 200 0.1612 0.7355 0.8211 0.0065 -0.0339 0.0493 210 LEU D CD1 ? ? 1 +14540 C CD1 B LEU D 200 0.1560 0.7306 0.8161 0.0067 -0.0340 0.0493 210 LEU D CD1 ? ? 1 +14541 C CD2 A LEU D 200 0.1652 0.7437 0.8260 0.0169 -0.0384 0.0481 210 LEU D CD2 ? ? 1 +14542 C CD2 B LEU D 200 0.1614 0.7389 0.8213 0.0172 -0.0385 0.0482 210 LEU D CD2 ? ? 1 +14543 N N A CYS D 201 0.1857 0.7378 0.8358 0.0167 -0.0328 0.0458 211 CYS D N ? ? 1 +14544 N N B CYS D 201 0.1810 0.7329 0.8310 0.0168 -0.0328 0.0458 211 CYS D N ? ? 1 +14545 C CA A CYS D 201 0.1971 0.7372 0.8398 0.0185 -0.0319 0.0461 211 CYS D CA ? ? 1 +14546 C CA B CYS D 201 0.1922 0.7323 0.8350 0.0187 -0.0320 0.0460 211 CYS D CA ? ? 1 +14547 C C A CYS D 201 0.2007 0.7419 0.8440 0.0253 -0.0336 0.0447 211 CYS D C ? ? 1 +14548 C C B CYS D 201 0.1957 0.7370 0.8391 0.0254 -0.0336 0.0446 211 CYS D C ? ? 1 +14549 O O A CYS D 201 0.2106 0.7439 0.8474 0.0301 -0.0347 0.0457 211 CYS D O ? ? 1 +14550 O O B CYS D 201 0.2054 0.7389 0.8425 0.0302 -0.0346 0.0455 211 CYS D O ? ? 1 +14551 C CB A CYS D 201 0.1961 0.7328 0.8390 0.0134 -0.0296 0.0451 211 CYS D CB ? ? 1 +14552 C CB B CYS D 201 0.1908 0.7278 0.8339 0.0135 -0.0296 0.0450 211 CYS D CB ? ? 1 +14553 S SG A CYS D 201 0.2109 0.7311 0.8438 0.0140 -0.0281 0.0456 211 CYS D SG ? ? 1 +14554 S SG B CYS D 201 0.2053 0.7260 0.8386 0.0141 -0.0281 0.0454 211 CYS D SG ? ? 1 +14555 N N A ALA D 202 0.1930 0.7438 0.8439 0.0258 -0.0337 0.0424 212 ALA D N ? ? 1 +14556 N N B ALA D 202 0.1878 0.7391 0.8391 0.0258 -0.0337 0.0422 212 ALA D N ? ? 1 +14557 C CA A ALA D 202 0.1959 0.7493 0.8487 0.0318 -0.0349 0.0406 212 ALA D CA ? ? 1 +14558 C CA B ALA D 202 0.1905 0.7447 0.8439 0.0318 -0.0349 0.0405 212 ALA D CA ? ? 1 +14559 C C A ALA D 202 0.1979 0.7549 0.8512 0.0375 -0.0378 0.0412 212 ALA D C ? ? 1 +14560 C C B ALA D 202 0.1927 0.7503 0.8465 0.0375 -0.0377 0.0410 212 ALA D C ? ? 1 +14561 O O A ALA D 202 0.2066 0.7583 0.8558 0.0434 -0.0390 0.0411 212 ALA D O ? ? 1 +14562 O O B ALA D 202 0.2012 0.7538 0.8512 0.0434 -0.0390 0.0409 212 ALA D O ? ? 1 +14563 C CB A ALA D 202 0.1858 0.7501 0.8473 0.0305 -0.0341 0.0381 212 ALA D CB ? ? 1 +14564 C CB B ALA D 202 0.1800 0.7452 0.8422 0.0304 -0.0340 0.0380 212 ALA D CB ? ? 1 +14565 N N A ILE D 203 0.1905 0.7561 0.8485 0.0359 -0.0390 0.0416 213 ILE D N ? ? 1 +14566 N N B ILE D 203 0.1859 0.7519 0.8443 0.0359 -0.0390 0.0415 213 ILE D N ? ? 1 +14567 C CA A ILE D 203 0.1912 0.7625 0.8513 0.0409 -0.0420 0.0415 213 ILE D CA ? ? 1 +14568 C CA B ILE D 203 0.1870 0.7586 0.8473 0.0410 -0.0420 0.0414 213 ILE D CA ? ? 1 +14569 C C A ILE D 203 0.2028 0.7636 0.8534 0.0443 -0.0436 0.0439 213 ILE D C ? ? 1 +14570 C C B ILE D 203 0.1989 0.7600 0.8498 0.0445 -0.0437 0.0438 213 ILE D C ? ? 1 +14571 O O A ILE D 203 0.2080 0.7692 0.8574 0.0506 -0.0463 0.0436 213 ILE D O ? ? 1 +14572 O O B ILE D 203 0.2039 0.7655 0.8537 0.0508 -0.0464 0.0435 213 ILE D O ? ? 1 +14573 C CB A ILE D 203 0.1799 0.7634 0.8479 0.0379 -0.0428 0.0410 213 ILE D CB ? ? 1 +14574 C CB B ILE D 203 0.1755 0.7593 0.8437 0.0379 -0.0428 0.0409 213 ILE D CB ? ? 1 +14575 C CG1 A ILE D 203 0.1782 0.7712 0.8519 0.0432 -0.0458 0.0394 213 ILE D CG1 ? ? 1 +14576 C CG1 B ILE D 203 0.1738 0.7671 0.8476 0.0432 -0.0459 0.0394 213 ILE D CG1 ? ? 1 +14577 C CG2 A ILE D 203 0.1795 0.7595 0.8433 0.0339 -0.0426 0.0434 213 ILE D CG2 ? ? 1 +14578 C CG2 B ILE D 203 0.1753 0.7553 0.8392 0.0339 -0.0426 0.0433 213 ILE D CG2 ? ? 1 +14579 C CD1 A ILE D 203 0.1673 0.7726 0.8493 0.0403 -0.0464 0.0384 213 ILE D CD1 ? ? 1 +14580 C CD1 B ILE D 203 0.1629 0.7683 0.8450 0.0402 -0.0465 0.0385 213 ILE D CD1 ? ? 1 +14581 N N A HIS D 204 0.2069 0.7584 0.8506 0.0401 -0.0418 0.0461 214 HIS D N ? ? 1 +14582 N N B HIS D 204 0.2038 0.7554 0.8476 0.0404 -0.0419 0.0461 214 HIS D N ? ? 1 +14583 C CA A HIS D 204 0.2193 0.7591 0.8527 0.0427 -0.0427 0.0486 214 HIS D CA ? ? 1 +14584 C CA B HIS D 204 0.2167 0.7566 0.8502 0.0431 -0.0428 0.0485 214 HIS D CA ? ? 1 +14585 C C A HIS D 204 0.2312 0.7605 0.8579 0.0477 -0.0427 0.0485 214 HIS D C ? ? 1 +14586 C C B HIS D 204 0.2285 0.7576 0.8550 0.0479 -0.0427 0.0485 214 HIS D C ? ? 1 +14587 O O A HIS D 204 0.2403 0.7648 0.8615 0.0539 -0.0451 0.0493 214 HIS D O ? ? 1 +14588 O O B HIS D 204 0.2377 0.7615 0.8586 0.0540 -0.0450 0.0494 214 HIS D O ? ? 1 +14589 C CB A HIS D 204 0.2219 0.7541 0.8499 0.0365 -0.0401 0.0509 214 HIS D CB ? ? 1 +14590 C CB B HIS D 204 0.2197 0.7523 0.8477 0.0369 -0.0403 0.0509 214 HIS D CB ? ? 1 +14591 C CG A HIS D 204 0.2355 0.7549 0.8522 0.0387 -0.0403 0.0536 214 HIS D CG ? ? 1 +14592 C CG B HIS D 204 0.2343 0.7540 0.8510 0.0392 -0.0406 0.0536 214 HIS D CG ? ? 1 +14593 N ND1 A HIS D 204 0.2397 0.7597 0.8533 0.0435 -0.0433 0.0546 214 HIS D ND1 ? ? 1 +14594 N ND1 B HIS D 204 0.2387 0.7589 0.8523 0.0440 -0.0435 0.0546 214 HIS D ND1 ? ? 1 +14595 C CD2 A HIS D 204 0.2467 0.7523 0.8543 0.0365 -0.0378 0.0555 214 HIS D CD2 ? ? 1 +14596 C CD2 B HIS D 204 0.2462 0.7519 0.8537 0.0372 -0.0381 0.0554 214 HIS D CD2 ? ? 1 +14597 C CE1 A HIS D 204 0.2533 0.7594 0.8555 0.0444 -0.0425 0.0572 214 HIS D CE1 ? ? 1 +14598 C CE1 B HIS D 204 0.2528 0.7591 0.8550 0.0450 -0.0428 0.0571 214 HIS D CE1 ? ? 1 +14599 N NE2 A HIS D 204 0.2583 0.7553 0.8566 0.0401 -0.0390 0.0578 214 HIS D NE2 ? ? 1 +14600 N NE2 B HIS D 204 0.2588 0.7559 0.8571 0.0408 -0.0393 0.0577 214 HIS D NE2 ? ? 1 +14601 N N A GLY D 205 0.2311 0.7566 0.8579 0.0451 -0.0402 0.0475 215 GLY D N ? ? 1 +14602 N N B GLY D 205 0.2280 0.7535 0.8548 0.0452 -0.0402 0.0475 215 GLY D N ? ? 1 +14603 C CA A GLY D 205 0.2428 0.7572 0.8627 0.0491 -0.0398 0.0474 215 GLY D CA ? ? 1 +14604 C CA B GLY D 205 0.2392 0.7540 0.8595 0.0492 -0.0398 0.0472 215 GLY D CA ? ? 1 +14605 C C A GLY D 205 0.2441 0.7638 0.8673 0.0569 -0.0424 0.0455 215 GLY D C ? ? 1 +14606 C C B GLY D 205 0.2404 0.7606 0.8641 0.0570 -0.0424 0.0454 215 GLY D C ? ? 1 +14607 O O A GLY D 205 0.2561 0.7669 0.8722 0.0628 -0.0436 0.0461 215 GLY D O ? ? 1 +14608 O O B GLY D 205 0.2523 0.7636 0.8689 0.0629 -0.0436 0.0459 215 GLY D O ? ? 1 +14609 N N A ALA D 206 0.2317 0.7660 0.8659 0.0568 -0.0430 0.0432 216 ALA D N ? ? 1 +14610 N N B ALA D 206 0.2278 0.7627 0.8625 0.0568 -0.0430 0.0430 216 ALA D N ? ? 1 +14611 C CA A ALA D 206 0.2313 0.7728 0.8706 0.0635 -0.0451 0.0410 216 ALA D CA ? ? 1 +14612 C CA B ALA D 206 0.2271 0.7695 0.8671 0.0635 -0.0451 0.0408 216 ALA D CA ? ? 1 +14613 C C A ALA D 206 0.2352 0.7783 0.8728 0.0691 -0.0489 0.0419 216 ALA D C ? ? 1 +14614 C C B ALA D 206 0.2310 0.7753 0.8695 0.0691 -0.0490 0.0417 216 ALA D C ? ? 1 +14615 O O A ALA D 206 0.2437 0.7841 0.8788 0.0763 -0.0511 0.0414 216 ALA D O ? ? 1 +14616 O O B ALA D 206 0.2388 0.7814 0.8755 0.0764 -0.0511 0.0410 216 ALA D O ? ? 1 +14617 C CB A ALA D 206 0.2173 0.7739 0.8687 0.0611 -0.0444 0.0384 216 ALA D CB ? ? 1 +14618 C CB B ALA D 206 0.2131 0.7705 0.8652 0.0610 -0.0443 0.0382 216 ALA D CB ? ? 1 +14619 N N A THR D 207 0.2294 0.7767 0.8682 0.0658 -0.0498 0.0432 217 THR D N ? ? 1 +14620 N N B THR D 207 0.2258 0.7734 0.8648 0.0658 -0.0499 0.0432 217 THR D N ? ? 1 +14621 C CA A THR D 207 0.2323 0.7821 0.8698 0.0705 -0.0537 0.0439 217 THR D CA ? ? 1 +14622 C CA B THR D 207 0.2289 0.7787 0.8664 0.0706 -0.0537 0.0439 217 THR D CA ? ? 1 +14623 C C A THR D 207 0.2488 0.7835 0.8734 0.0754 -0.0549 0.0462 217 THR D C ? ? 1 +14624 C C B THR D 207 0.2457 0.7804 0.8705 0.0756 -0.0549 0.0461 217 THR D C ? ? 1 +14625 O O A THR D 207 0.2556 0.7906 0.8784 0.0825 -0.0585 0.0460 217 THR D O ? ? 1 +14626 O O B THR D 207 0.2529 0.7878 0.8762 0.0830 -0.0583 0.0456 217 THR D O ? ? 1 +14627 C CB A THR D 207 0.2239 0.7796 0.8640 0.0655 -0.0540 0.0449 217 THR D CB ? ? 1 +14628 C CB B THR D 207 0.2209 0.7760 0.8605 0.0656 -0.0540 0.0450 217 THR D CB ? ? 1 +14629 O OG1 A THR D 207 0.2098 0.7804 0.8620 0.0625 -0.0537 0.0425 217 THR D OG1 ? ? 1 +14630 O OG1 B THR D 207 0.2065 0.7756 0.8577 0.0616 -0.0531 0.0429 217 THR D OG1 ? ? 1 +14631 C CG2 A THR D 207 0.2294 0.7845 0.8654 0.0701 -0.0578 0.0461 217 THR D CG2 ? ? 1 +14632 C CG2 B THR D 207 0.2252 0.7816 0.8622 0.0705 -0.0581 0.0458 217 THR D CG2 ? ? 1 +14633 N N A VAL D 208 0.2559 0.7773 0.8715 0.0715 -0.0520 0.0485 218 VAL D N ? ? 1 +14634 N N B VAL D 208 0.2528 0.7743 0.8684 0.0715 -0.0521 0.0485 218 VAL D N ? ? 1 +14635 C CA A VAL D 208 0.2725 0.7777 0.8748 0.0753 -0.0524 0.0509 218 VAL D CA ? ? 1 +14636 C CA B VAL D 208 0.2697 0.7749 0.8719 0.0755 -0.0525 0.0509 218 VAL D CA ? ? 1 +14637 C C A VAL D 208 0.2818 0.7824 0.8819 0.0824 -0.0535 0.0495 218 VAL D C ? ? 1 +14638 C C B VAL D 208 0.2786 0.7798 0.8791 0.0825 -0.0535 0.0495 218 VAL D C ? ? 1 +14639 O O A VAL D 208 0.2928 0.7875 0.8863 0.0896 -0.0564 0.0503 218 VAL D O ? ? 1 +14640 O O B VAL D 208 0.2893 0.7852 0.8836 0.0898 -0.0565 0.0501 218 VAL D O ? ? 1 +14641 C CB A VAL D 208 0.2775 0.7697 0.8715 0.0688 -0.0484 0.0533 218 VAL D CB ? ? 1 +14642 C CB B VAL D 208 0.2747 0.7669 0.8687 0.0689 -0.0485 0.0533 218 VAL D CB ? ? 1 +14643 C CG1 A VAL D 208 0.2957 0.7698 0.8759 0.0727 -0.0481 0.0554 218 VAL D CG1 ? ? 1 +14644 C CG1 B VAL D 208 0.2929 0.7669 0.8730 0.0728 -0.0481 0.0554 218 VAL D CG1 ? ? 1 +14645 C CG2 A VAL D 208 0.2722 0.7669 0.8661 0.0634 -0.0478 0.0551 218 VAL D CG2 ? ? 1 +14646 C CG2 B VAL D 208 0.2696 0.7640 0.8634 0.0634 -0.0478 0.0551 218 VAL D CG2 ? ? 1 +14647 N N A GLU D 209 0.2779 0.7813 0.8832 0.0806 -0.0511 0.0475 219 GLU D N ? ? 1 +14648 N N B GLU D 209 0.2751 0.7788 0.8806 0.0805 -0.0511 0.0475 219 GLU D N ? ? 1 +14649 C CA A GLU D 209 0.2880 0.7861 0.8909 0.0867 -0.0514 0.0461 219 GLU D CA ? ? 1 +14650 C CA B GLU D 209 0.2854 0.7842 0.8888 0.0866 -0.0514 0.0460 219 GLU D CA ? ? 1 +14651 C C A GLU D 209 0.2867 0.7958 0.8966 0.0946 -0.0551 0.0438 219 GLU D C ? ? 1 +14652 C C B GLU D 209 0.2841 0.7936 0.8943 0.0946 -0.0551 0.0437 219 GLU D C ? ? 1 +14653 O O A GLU D 209 0.2962 0.8002 0.9027 0.1014 -0.0562 0.0430 219 GLU D O ? ? 1 +14654 O O B GLU D 209 0.2936 0.7977 0.9002 0.1014 -0.0561 0.0429 219 GLU D O ? ? 1 +14655 C CB A GLU D 209 0.2837 0.7821 0.8903 0.0822 -0.0478 0.0444 219 GLU D CB ? ? 1 +14656 C CB B GLU D 209 0.2812 0.7807 0.8886 0.0820 -0.0478 0.0443 219 GLU D CB ? ? 1 +14657 C CG A GLU D 209 0.2932 0.7757 0.8896 0.0774 -0.0446 0.0463 219 GLU D CG ? ? 1 +14658 C CG B GLU D 209 0.2908 0.7746 0.8883 0.0772 -0.0445 0.0461 219 GLU D CG ? ? 1 +14659 C CD A GLU D 209 0.3117 0.7775 0.8954 0.0832 -0.0451 0.0478 219 GLU D CD ? ? 1 +14660 C CD B GLU D 209 0.3096 0.7769 0.8947 0.0829 -0.0449 0.0474 219 GLU D CD ? ? 1 +14661 O OE1 A GLU D 209 0.3183 0.7813 0.9012 0.0883 -0.0453 0.0462 219 GLU D OE1 ? ? 1 +14662 O OE1 B GLU D 209 0.3155 0.7808 0.9006 0.0875 -0.0449 0.0456 219 GLU D OE1 ? ? 1 +14663 O OE2 A GLU D 209 0.3209 0.7763 0.8951 0.0828 -0.0453 0.0507 219 GLU D OE2 ? ? 1 +14664 O OE2 B GLU D 209 0.3199 0.7761 0.8951 0.0832 -0.0453 0.0503 219 GLU D OE2 ? ? 1 +14665 N N A ASN D 210 0.2758 0.7999 0.8955 0.0937 -0.0571 0.0427 220 ASN D N ? ? 1 +14666 N N B ASN D 210 0.2730 0.7977 0.8931 0.0939 -0.0572 0.0426 220 ASN D N ? ? 1 +14667 C CA A ASN D 210 0.2736 0.8102 0.9018 0.1003 -0.0607 0.0401 220 ASN D CA ? ? 1 +14668 C CA B ASN D 210 0.2713 0.8080 0.8996 0.1007 -0.0607 0.0400 220 ASN D CA ? ? 1 +14669 C C A ASN D 210 0.2770 0.8164 0.9035 0.1040 -0.0651 0.0411 220 ASN D C ? ? 1 +14670 C C B ASN D 210 0.2761 0.8148 0.9021 0.1050 -0.0653 0.0410 220 ASN D C ? ? 1 +14671 O O A ASN D 210 0.2726 0.8249 0.9079 0.1082 -0.0683 0.0388 220 ASN D O ? ? 1 +14672 O O B ASN D 210 0.2749 0.8243 0.9080 0.1108 -0.0688 0.0388 220 ASN D O ? ? 1 +14673 C CB A ASN D 210 0.2576 0.8109 0.9000 0.0965 -0.0593 0.0372 220 ASN D CB ? ? 1 +14674 C CB B ASN D 210 0.2549 0.8085 0.8975 0.0968 -0.0594 0.0371 220 ASN D CB ? ? 1 +14675 C CG A ASN D 210 0.2570 0.8089 0.9015 0.0956 -0.0559 0.0355 220 ASN D CG ? ? 1 +14676 C CG B ASN D 210 0.2538 0.8061 0.8986 0.0956 -0.0559 0.0355 220 ASN D CG ? ? 1 +14677 O OD1 A ASN D 210 0.2620 0.8146 0.9080 0.1019 -0.0565 0.0336 220 ASN D OD1 ? ? 1 +14678 O OD1 B ASN D 210 0.2590 0.8112 0.9047 0.1018 -0.0565 0.0337 220 ASN D OD1 ? ? 1 +14679 N ND2 A ASN D 210 0.2510 0.8010 0.8957 0.0878 -0.0522 0.0360 220 ASN D ND2 ? ? 1 +14680 N ND2 B ASN D 210 0.2472 0.7981 0.8926 0.0877 -0.0523 0.0359 220 ASN D ND2 ? ? 1 +14681 N N A THR D 211 0.2860 0.8130 0.9011 0.1025 -0.0651 0.0444 221 THR D N ? ? 1 +14682 N N B THR D 211 0.2830 0.8111 0.8989 0.1025 -0.0652 0.0443 221 THR D N ? ? 1 +14683 C CA A THR D 211 0.2930 0.8188 0.9032 0.1069 -0.0693 0.0457 221 THR D CA ? ? 1 +14684 C CA B THR D 211 0.2911 0.8172 0.9014 0.1071 -0.0694 0.0457 221 THR D CA ? ? 1 +14685 C C A THR D 211 0.3125 0.8190 0.9065 0.1111 -0.0696 0.0487 221 THR D C ? ? 1 +14686 C C B THR D 211 0.3109 0.8175 0.9050 0.1111 -0.0696 0.0487 221 THR D C ? ? 1 +14687 O O A THR D 211 0.3200 0.8210 0.9061 0.1138 -0.0723 0.0507 221 THR D O ? ? 1 +14688 O O B THR D 211 0.3183 0.8193 0.9045 0.1136 -0.0722 0.0507 221 THR D O ? ? 1 +14689 C CB A THR D 211 0.2834 0.8157 0.8967 0.1005 -0.0691 0.0467 221 THR D CB ? ? 1 +14690 C CB B THR D 211 0.2816 0.8144 0.8952 0.1010 -0.0694 0.0466 221 THR D CB ? ? 1 +14691 O OG1 A THR D 211 0.2830 0.8063 0.8908 0.0927 -0.0646 0.0490 221 THR D OG1 ? ? 1 +14692 O OG1 B THR D 211 0.2809 0.8052 0.8893 0.0931 -0.0650 0.0488 221 THR D OG1 ? ? 1 +14693 C CG2 A THR D 211 0.2668 0.8183 0.8957 0.0977 -0.0696 0.0436 221 THR D CG2 ? ? 1 +14694 C CG2 B THR D 211 0.2652 0.8175 0.8945 0.0985 -0.0701 0.0434 221 THR D CG2 ? ? 1 +14695 N N A LEU D 212 0.3225 0.8184 0.9112 0.1119 -0.0670 0.0489 222 LEU D N ? ? 1 +14696 N N B LEU D 212 0.3213 0.8173 0.9101 0.1120 -0.0670 0.0489 222 LEU D N ? ? 1 +14697 C CA A LEU D 212 0.3434 0.8201 0.9167 0.1161 -0.0669 0.0515 222 LEU D CA ? ? 1 +14698 C CA B LEU D 212 0.3427 0.8193 0.9159 0.1160 -0.0669 0.0515 222 LEU D CA ? ? 1 +14699 C C A LEU D 212 0.3577 0.8326 0.9260 0.1263 -0.0723 0.0516 222 LEU D C ? ? 1 +14700 C C B LEU D 212 0.3579 0.8326 0.9261 0.1262 -0.0722 0.0516 222 LEU D C ? ? 1 +14701 O O A LEU D 212 0.3538 0.8408 0.9312 0.1321 -0.0756 0.0487 222 LEU D O ? ? 1 +14702 O O B LEU D 212 0.3539 0.8408 0.9313 0.1320 -0.0754 0.0486 222 LEU D O ? ? 1 +14703 C CB A LEU D 212 0.3490 0.8174 0.9197 0.1167 -0.0640 0.0507 222 LEU D CB ? ? 1 +14704 C CB B LEU D 212 0.3487 0.8166 0.9191 0.1164 -0.0638 0.0508 222 LEU D CB ? ? 1 +14705 C CG A LEU D 212 0.3416 0.8082 0.9145 0.1073 -0.0588 0.0508 222 LEU D CG ? ? 1 +14706 C CG B LEU D 212 0.3412 0.8076 0.9140 0.1070 -0.0586 0.0508 222 LEU D CG ? ? 1 +14707 C CD1 A LEU D 212 0.3495 0.8067 0.9185 0.1088 -0.0564 0.0499 222 LEU D CD1 ? ? 1 +14708 C CD1 B LEU D 212 0.3486 0.8062 0.9179 0.1084 -0.0563 0.0499 222 LEU D CD1 ? ? 1 +14709 C CD2 A LEU D 212 0.3457 0.8015 0.9096 0.1007 -0.0563 0.0541 222 LEU D CD2 ? ? 1 +14710 C CD2 B LEU D 212 0.3456 0.8011 0.9094 0.1002 -0.0561 0.0542 222 LEU D CD2 ? ? 1 +14711 N N A PHE D 213 0.3760 0.8352 0.9295 0.1284 -0.0730 0.0549 223 PHE D N ? ? 1 +14712 N N B PHE D 213 0.3767 0.8358 0.9302 0.1284 -0.0729 0.0549 223 PHE D N ? ? 1 +14713 C CA A PHE D 213 0.3940 0.8461 0.9389 0.1387 -0.0776 0.0555 223 PHE D CA ? ? 1 +14714 C CA B PHE D 213 0.3950 0.8471 0.9400 0.1387 -0.0775 0.0554 223 PHE D CA ? ? 1 +14715 C C A PHE D 213 0.4099 0.8504 0.9484 0.1439 -0.0765 0.0552 223 PHE D C ? ? 1 +14716 C C B PHE D 213 0.4114 0.8522 0.9503 0.1439 -0.0765 0.0551 223 PHE D C ? ? 1 +14717 O O A PHE D 213 0.4137 0.8431 0.9469 0.1389 -0.0718 0.0563 223 PHE D O ? ? 1 +14718 O O B PHE D 213 0.4145 0.8449 0.9487 0.1388 -0.0718 0.0561 223 PHE D O ? ? 1 +14719 C CB A PHE D 213 0.4067 0.8445 0.9366 0.1388 -0.0782 0.0593 223 PHE D CB ? ? 1 +14720 C CB B PHE D 213 0.4081 0.8458 0.9380 0.1390 -0.0782 0.0593 223 PHE D CB ? ? 1 +14721 C CG A PHE D 213 0.3981 0.8463 0.9324 0.1364 -0.0806 0.0595 223 PHE D CG ? ? 1 +14722 C CG B PHE D 213 0.3996 0.8477 0.9339 0.1363 -0.0805 0.0595 223 PHE D CG ? ? 1 +14723 C CD1 A PHE D 213 0.3941 0.8559 0.9359 0.1426 -0.0863 0.0572 223 PHE D CD1 ? ? 1 +14724 C CD1 B PHE D 213 0.3954 0.8575 0.9376 0.1422 -0.0861 0.0572 223 PHE D CD1 ? ? 1 +14725 C CD2 A PHE D 213 0.3947 0.8393 0.9257 0.1279 -0.0771 0.0619 223 PHE D CD2 ? ? 1 +14726 C CD2 B PHE D 213 0.3970 0.8408 0.9275 0.1279 -0.0769 0.0620 223 PHE D CD2 ? ? 1 +14727 C CE1 A PHE D 213 0.3865 0.8574 0.9319 0.1402 -0.0886 0.0573 223 PHE D CE1 ? ? 1 +14728 C CE1 B PHE D 213 0.3877 0.8587 0.9335 0.1397 -0.0883 0.0573 223 PHE D CE1 ? ? 1 +14729 C CE2 A PHE D 213 0.3872 0.8408 0.9217 0.1259 -0.0793 0.0620 223 PHE D CE2 ? ? 1 +14730 C CE2 B PHE D 213 0.3895 0.8424 0.9236 0.1256 -0.0790 0.0621 223 PHE D CE2 ? ? 1 +14731 C CZ A PHE D 213 0.3832 0.8496 0.9246 0.1320 -0.0850 0.0597 223 PHE D CZ ? ? 1 +14732 C CZ B PHE D 213 0.3850 0.8511 0.9264 0.1315 -0.0846 0.0598 223 PHE D CZ ? ? 1 +14733 N N A GLN D 214 0.4207 0.8639 0.9600 0.1541 -0.0810 0.0534 224 GLN D N ? ? 1 +14734 N N B GLN D 214 0.4233 0.8661 0.9623 0.1542 -0.0810 0.0535 224 GLN D N ? ? 1 +14735 C CA A GLN D 214 0.4383 0.8693 0.9700 0.1606 -0.0807 0.0533 224 GLN D CA ? ? 1 +14736 C CA B GLN D 214 0.4412 0.8718 0.9726 0.1606 -0.0806 0.0533 224 GLN D CA ? ? 1 +14737 C C A GLN D 214 0.4631 0.8712 0.9748 0.1634 -0.0806 0.0573 224 GLN D C ? ? 1 +14738 C C B GLN D 214 0.4657 0.8735 0.9773 0.1635 -0.0806 0.0573 224 GLN D C ? ? 1 +14739 O O A GLN D 214 0.4732 0.8777 0.9779 0.1705 -0.0852 0.0584 224 GLN D O ? ? 1 +14740 O O B GLN D 214 0.4761 0.8802 0.9806 0.1711 -0.0853 0.0583 224 GLN D O ? ? 1 +14741 C CB A GLN D 214 0.4389 0.8806 0.9780 0.1710 -0.0856 0.0500 224 GLN D CB ? ? 1 +14742 C CB B GLN D 214 0.4422 0.8837 0.9813 0.1709 -0.0854 0.0500 224 GLN D CB ? ? 1 +14743 C CG A GLN D 214 0.4547 0.8830 0.9853 0.1781 -0.0851 0.0499 224 GLN D CG ? ? 1 +14744 C CG B GLN D 214 0.4584 0.8868 0.9893 0.1781 -0.0850 0.0498 224 GLN D CG ? ? 1 +14745 C CD A GLN D 214 0.4582 0.8952 0.9942 0.1896 -0.0905 0.0470 224 GLN D CD ? ? 1 +14746 C CD B GLN D 214 0.4557 0.8977 0.9976 0.1867 -0.0884 0.0458 224 GLN D CD ? ? 1 +14747 O OE1 A GLN D 214 0.4515 0.9021 0.9950 0.1932 -0.0953 0.0456 224 GLN D OE1 ? ? 1 +14748 O OE1 B GLN D 214 0.4401 0.9024 0.9975 0.1863 -0.0905 0.0428 224 GLN D OE1 ? ? 1 +14749 N NE2 A GLN D 214 0.4688 0.8976 1.0007 0.1956 -0.0897 0.0461 224 GLN D NE2 ? ? 1 +14750 N NE2 B GLN D 214 0.4708 0.9012 1.0049 0.1944 -0.0888 0.0456 224 GLN D NE2 ? ? 1 +14751 N N A ASP D 215 0.4752 0.8680 0.9780 0.1575 -0.0754 0.0594 225 ASP D N ? ? 1 +14752 N N B ASP D 215 0.4775 0.8702 0.9801 0.1573 -0.0754 0.0595 225 ASP D N ? ? 1 +14753 C CA A ASP D 215 0.5002 0.8704 0.9840 0.1584 -0.0742 0.0634 225 ASP D CA ? ? 1 +14754 C CA B ASP D 215 0.5028 0.8726 0.9862 0.1584 -0.0742 0.0635 225 ASP D CA ? ? 1 +14755 C C A ASP D 215 0.5226 0.8765 0.9964 0.1633 -0.0727 0.0636 225 ASP D C ? ? 1 +14756 C C B ASP D 215 0.5247 0.8784 0.9986 0.1628 -0.0725 0.0637 225 ASP D C ? ? 1 +14757 O O A ASP D 215 0.5437 0.8770 1.0007 0.1654 -0.0718 0.0667 225 ASP D O ? ? 1 +14758 O O B ASP D 215 0.5461 0.8790 1.0033 0.1638 -0.0709 0.0668 225 ASP D O ? ? 1 +14759 C CB A ASP D 215 0.4955 0.8601 0.9760 0.1470 -0.0692 0.0659 225 ASP D CB ? ? 1 +14760 C CB B ASP D 215 0.4982 0.8626 0.9782 0.1471 -0.0693 0.0661 225 ASP D CB ? ? 1 +14761 C CG A ASP D 215 0.4864 0.8606 0.9704 0.1439 -0.0710 0.0669 225 ASP D CG ? ? 1 +14762 C CG B ASP D 215 0.4883 0.8632 0.9726 0.1442 -0.0713 0.0668 225 ASP D CG ? ? 1 +14763 O OD1 A ASP D 215 0.4891 0.8684 0.9728 0.1513 -0.0763 0.0666 225 ASP D OD1 ? ? 1 +14764 O OD1 B ASP D 215 0.4904 0.8709 0.9748 0.1517 -0.0767 0.0664 225 ASP D OD1 ? ? 1 +14765 O OD2 A ASP D 215 0.4775 0.8543 0.9647 0.1342 -0.0672 0.0678 225 ASP D OD2 ? ? 1 +14766 O OD2 B ASP D 215 0.4791 0.8570 0.9669 0.1346 -0.0676 0.0677 225 ASP D OD2 ? ? 1 +14767 N N A GLY D 216 0.5217 0.8845 1.0057 0.1652 -0.0724 0.0602 226 GLY D N ? ? 1 +14768 N N B GLY D 216 0.5234 0.8865 1.0075 0.1655 -0.0726 0.0602 226 GLY D N ? ? 1 +14769 C CA A GLY D 216 0.5413 0.8905 1.0173 0.1707 -0.0714 0.0598 226 GLY D CA ? ? 1 +14770 C CA B GLY D 216 0.5422 0.8916 1.0184 0.1706 -0.0714 0.0598 226 GLY D CA ? ? 1 +14771 C C A GLY D 216 0.5413 0.9042 1.0286 0.1789 -0.0746 0.0558 226 GLY D C ? ? 1 +14772 C C B GLY D 216 0.5416 0.9046 1.0290 0.1789 -0.0746 0.0558 226 GLY D C ? ? 1 +14773 O O A GLY D 216 0.5256 0.9091 1.0276 0.1793 -0.0772 0.0533 226 GLY D O ? ? 1 +14774 O O B GLY D 216 0.5254 0.9090 1.0276 0.1793 -0.0772 0.0533 226 GLY D O ? ? 1 +14775 N N . GLU D 217 0.5619 0.9131 1.0421 0.1852 -0.0741 0.0552 227 GLU D N ? ? 1 +14776 C CA . GLU D 217 0.5694 0.9318 1.0590 0.1938 -0.0768 0.0514 227 GLU D CA ? ? 1 +14777 C CB . GLU D 217 0.6051 0.9502 1.0805 0.2049 -0.0791 0.0522 227 GLU D CB ? ? 1 +14778 C CG . GLU D 217 0.6354 0.9702 1.0980 0.2112 -0.0834 0.0553 227 GLU D CG ? ? 1 +14779 C CD . GLU D 217 0.6492 1.0012 1.1213 0.2193 -0.0899 0.0533 227 GLU D CD ? ? 1 +14780 O OE1 . GLU D 217 0.6663 1.0264 1.1451 0.2280 -0.0927 0.0501 227 GLU D OE1 ? ? 1 +14781 O OE2 . GLU D 217 0.6651 1.0224 1.1376 0.2172 -0.0923 0.0547 227 GLU D OE2 ? ? 1 +14782 C C . GLU D 217 0.5559 0.9264 1.0564 0.1887 -0.0727 0.0484 227 GLU D C ? ? 1 +14783 O O . GLU D 217 0.5484 0.9328 1.0604 0.1939 -0.0742 0.0448 227 GLU D O ? ? 1 +14784 N N . GLY D 218 0.5509 0.9128 1.0477 0.1788 -0.0675 0.0497 228 GLY D N ? ? 1 +14785 C CA . GLY D 218 0.5417 0.9077 1.0458 0.1744 -0.0635 0.0470 228 GLY D CA ? ? 1 +14786 C C . GLY D 218 0.5181 0.9080 1.0410 0.1692 -0.0632 0.0442 228 GLY D C ? ? 1 +14787 O O . GLY D 218 0.5114 0.9118 1.0402 0.1654 -0.0647 0.0450 228 GLY D O ? ? 1 +14788 N N A ALA D 219 0.5096 0.9072 1.0413 0.1689 -0.0610 0.0409 229 ALA D N ? ? 1 +14789 N N B ALA D 219 0.5118 0.9095 1.0435 0.1690 -0.0611 0.0409 229 ALA D N ? ? 1 +14790 C CA A ALA D 219 0.4877 0.9065 1.0364 0.1636 -0.0600 0.0383 229 ALA D CA ? ? 1 +14791 C CA B ALA D 219 0.4919 0.9105 1.0405 0.1634 -0.0599 0.0383 229 ALA D CA ? ? 1 +14792 C C A ALA D 219 0.4779 0.8957 1.0273 0.1513 -0.0560 0.0396 229 ALA D C ? ? 1 +14793 C C B ALA D 219 0.4848 0.9022 1.0340 0.1511 -0.0560 0.0396 229 ALA D C ? ? 1 +14794 O O A ALA D 219 0.4613 0.8951 1.0227 0.1456 -0.0557 0.0385 229 ALA D O ? ? 1 +14795 O O B ALA D 219 0.4687 0.9021 1.0299 0.1455 -0.0556 0.0386 229 ALA D O ? ? 1 +14796 C CB A ALA D 219 0.4846 0.9105 1.0411 0.1674 -0.0586 0.0345 229 ALA D CB ? ? 1 +14797 C CB B ALA D 219 0.4886 0.9143 1.0450 0.1672 -0.0585 0.0345 229 ALA D CB ? ? 1 +14798 N N A SER D 220 0.4886 0.8876 1.0254 0.1472 -0.0531 0.0417 230 SER D N ? ? 1 +14799 N N B SER D 220 0.4979 0.8963 1.0343 0.1470 -0.0530 0.0418 230 SER D N ? ? 1 +14800 C CA A SER D 220 0.4812 0.8771 1.0168 0.1359 -0.0498 0.0434 230 SER D CA ? ? 1 +14801 C CA B SER D 220 0.4925 0.8878 1.0277 0.1358 -0.0497 0.0435 230 SER D CA ? ? 1 +14802 C C A SER D 220 0.4827 0.8737 1.0118 0.1342 -0.0513 0.0469 230 SER D C ? ? 1 +14803 C C B SER D 220 0.4940 0.8853 1.0232 0.1342 -0.0514 0.0469 230 SER D C ? ? 1 +14804 O O A SER D 220 0.5009 0.8753 1.0163 0.1379 -0.0521 0.0494 230 SER D O ? ? 1 +14805 O O B SER D 220 0.5129 0.8877 1.0285 0.1377 -0.0521 0.0495 230 SER D O ? ? 1 +14806 C CB A SER D 220 0.4936 0.8720 1.0191 0.1318 -0.0458 0.0439 230 SER D CB ? ? 1 +14807 C CB B SER D 220 0.5071 0.8842 1.0315 0.1318 -0.0458 0.0442 230 SER D CB ? ? 1 +14808 O OG A SER D 220 0.4903 0.8638 1.0130 0.1216 -0.0431 0.0460 230 SER D OG ? ? 1 +14809 O OG B SER D 220 0.5046 0.8763 1.0258 0.1217 -0.0431 0.0464 230 SER D OG ? ? 1 +14810 N N A THR D 221 0.4652 0.8703 1.0038 0.1284 -0.0517 0.0471 231 THR D N ? ? 1 +14811 N N B THR D 221 0.4772 0.8833 1.0164 0.1287 -0.0519 0.0469 231 THR D N ? ? 1 +14812 C CA A THR D 221 0.4653 0.8691 0.9996 0.1277 -0.0537 0.0499 231 THR D CA ? ? 1 +14813 C CA B THR D 221 0.4774 0.8827 1.0128 0.1277 -0.0539 0.0497 231 THR D CA ? ? 1 +14814 C C A THR D 221 0.4697 0.8599 0.9945 0.1193 -0.0503 0.0530 231 THR D C ? ? 1 +14815 C C B THR D 221 0.4827 0.8746 1.0086 0.1193 -0.0505 0.0528 231 THR D C ? ? 1 +14816 O O A THR D 221 0.4730 0.8580 0.9911 0.1190 -0.0513 0.0558 231 THR D O ? ? 1 +14817 O O B THR D 221 0.4834 0.8715 1.0038 0.1185 -0.0515 0.0555 231 THR D O ? ? 1 +14818 C CB A THR D 221 0.4464 0.8714 0.9951 0.1260 -0.0559 0.0484 231 THR D CB ? ? 1 +14819 C CB B THR D 221 0.4578 0.8845 1.0077 0.1258 -0.0559 0.0483 231 THR D CB ? ? 1 +14820 O OG1 A THR D 221 0.4310 0.8653 0.9891 0.1171 -0.0526 0.0471 231 THR D OG1 ? ? 1 +14821 O OG1 B THR D 221 0.4427 0.8782 1.0018 0.1169 -0.0526 0.0469 231 THR D OG1 ? ? 1 +14822 C CG2 A THR D 221 0.4431 0.8815 1.0009 0.1348 -0.0596 0.0455 231 THR D CG2 ? ? 1 +14823 C CG2 B THR D 221 0.4548 0.8949 1.0138 0.1345 -0.0597 0.0453 231 THR D CG2 ? ? 1 +14824 N N A PHE D 222 0.4704 0.8549 0.9945 0.1127 -0.0462 0.0524 232 PHE D N ? ? 1 +14825 N N B PHE D 222 0.4878 0.8727 1.0121 0.1131 -0.0464 0.0523 232 PHE D N ? ? 1 +14826 C CA A PHE D 222 0.4749 0.8488 0.9923 0.1038 -0.0426 0.0547 232 PHE D CA ? ? 1 +14827 C CA B PHE D 222 0.4955 0.8695 1.0129 0.1042 -0.0428 0.0547 232 PHE D CA ? ? 1 +14828 C C A PHE D 222 0.5004 0.8533 1.0009 0.1062 -0.0422 0.0581 232 PHE D C ? ? 1 +14829 C C B PHE D 222 0.5259 0.8789 1.0264 0.1068 -0.0424 0.0581 232 PHE D C ? ? 1 +14830 O O A PHE D 222 0.5032 0.8499 0.9983 0.1007 -0.0405 0.0608 232 PHE D O ? ? 1 +14831 O O B PHE D 222 0.5288 0.8757 1.0237 0.1015 -0.0409 0.0608 232 PHE D O ? ? 1 +14832 C CB A PHE D 222 0.4691 0.8402 0.9886 0.0972 -0.0388 0.0530 232 PHE D CB ? ? 1 +14833 C CB B PHE D 222 0.4875 0.8588 1.0071 0.0976 -0.0389 0.0529 232 PHE D CB ? ? 1 +14834 C CG A PHE D 222 0.4464 0.8366 0.9813 0.0929 -0.0384 0.0501 232 PHE D CG ? ? 1 +14835 C CG B PHE D 222 0.4634 0.8537 0.9983 0.0933 -0.0385 0.0501 232 PHE D CG ? ? 1 +14836 C CD1 A PHE D 222 0.4309 0.8312 0.9730 0.0852 -0.0375 0.0507 232 PHE D CD1 ? ? 1 +14837 C CD1 B PHE D 222 0.4467 0.8472 0.9888 0.0856 -0.0376 0.0506 232 PHE D CD1 ? ? 1 +14838 C CD2 A PHE D 222 0.4412 0.8388 0.9830 0.0966 -0.0387 0.0469 232 PHE D CD2 ? ? 1 +14839 C CD2 B PHE D 222 0.4581 0.8558 0.9998 0.0971 -0.0389 0.0469 232 PHE D CD2 ? ? 1 +14840 C CE1 A PHE D 222 0.4127 0.8295 0.9680 0.0814 -0.0371 0.0482 232 PHE D CE1 ? ? 1 +14841 C CE1 B PHE D 222 0.4280 0.8450 0.9834 0.0818 -0.0372 0.0481 232 PHE D CE1 ? ? 1 +14842 C CE2 A PHE D 222 0.4228 0.8371 0.9778 0.0926 -0.0381 0.0444 232 PHE D CE2 ? ? 1 +14843 C CE2 B PHE D 222 0.4396 0.8540 0.9946 0.0931 -0.0383 0.0444 232 PHE D CE2 ? ? 1 +14844 C CZ A PHE D 222 0.4092 0.8327 0.9707 0.0851 -0.0374 0.0451 232 PHE D CZ ? ? 1 +14845 C CZ B PHE D 222 0.4251 0.8487 0.9866 0.0855 -0.0375 0.0451 232 PHE D CZ ? ? 1 +14846 N N A ARG D 223 0.5231 0.8650 1.0151 0.1148 -0.0437 0.0580 233 ARG D N ? ? 1 +14847 N N B ARG D 223 0.5568 0.8986 1.0488 0.1151 -0.0437 0.0579 233 ARG D N ? ? 1 +14848 C CA A ARG D 223 0.5500 0.8702 1.0247 0.1178 -0.0432 0.0611 233 ARG D CA ? ? 1 +14849 C CA B ARG D 223 0.5901 0.9103 1.0649 0.1184 -0.0434 0.0610 233 ARG D CA ? ? 1 +14850 C C A ARG D 223 0.5538 0.8729 1.0230 0.1211 -0.0460 0.0639 233 ARG D C ? ? 1 +14851 C C B ARG D 223 0.5925 0.9117 1.0618 0.1220 -0.0463 0.0638 233 ARG D C ? ? 1 +14852 O O A ARG D 223 0.5703 0.8728 1.0260 0.1197 -0.0444 0.0672 233 ARG D O ? ? 1 +14853 O O B ARG D 223 0.6111 0.9131 1.0664 0.1212 -0.0448 0.0670 233 ARG D O ? ? 1 +14854 C CB A ARG D 223 0.5717 0.8815 1.0392 0.1273 -0.0446 0.0601 233 ARG D CB ? ? 1 +14855 C CB B ARG D 223 0.6198 0.9300 1.0877 0.1279 -0.0448 0.0598 233 ARG D CB ? ? 1 +14856 C CG A ARG D 223 0.5777 0.8842 1.0472 0.1241 -0.0415 0.0576 233 ARG D CG ? ? 1 +14857 C CG B ARG D 223 0.6351 0.9412 1.1043 0.1246 -0.0415 0.0575 233 ARG D CG ? ? 1 +14858 C CD A ARG D 223 0.6047 0.8925 1.0611 0.1311 -0.0413 0.0578 233 ARG D CD ? ? 1 +14859 C CD B ARG D 223 0.6711 0.9584 1.1272 0.1316 -0.0414 0.0577 233 ARG D CD ? ? 1 +14860 N NE A ARG D 223 0.6165 0.8942 1.0697 0.1247 -0.0371 0.0567 233 ARG D NE ? ? 1 +14861 N NE B ARG D 223 0.6946 0.9716 1.1473 0.1252 -0.0372 0.0567 233 ARG D NE ? ? 1 +14862 C CZ A ARG D 223 0.6415 0.9025 1.0841 0.1286 -0.0359 0.0564 233 ARG D CZ ? ? 1 +14863 C CZ B ARG D 223 0.7330 0.9925 1.1744 0.1290 -0.0359 0.0565 233 ARG D CZ ? ? 1 +14864 N NH1 A ARG D 223 0.6577 0.9107 1.0924 0.1396 -0.0387 0.0567 233 ARG D NH1 ? ? 1 +14865 N NH1 B ARG D 223 0.7513 1.0028 1.1848 0.1400 -0.0388 0.0569 233 ARG D NH1 ? ? 1 +14866 N NH2 A ARG D 223 0.6474 0.8996 1.0873 0.1215 -0.0320 0.0554 233 ARG D NH2 ? ? 1 +14867 N NH2 B ARG D 223 0.7451 0.9949 1.1832 0.1218 -0.0320 0.0557 233 ARG D NH2 ? ? 1 +14868 N N A ALA D 224 0.5402 0.8769 1.0198 0.1254 -0.0501 0.0626 234 ALA D N ? ? 1 +14869 N N B ALA D 224 0.5767 0.9137 1.0566 0.1259 -0.0503 0.0624 234 ALA D N ? ? 1 +14870 C CA A ALA D 224 0.5428 0.8793 1.0175 0.1300 -0.0536 0.0648 234 ALA D CA ? ? 1 +14871 C CA B ALA D 224 0.5772 0.9143 1.0523 0.1304 -0.0537 0.0646 234 ALA D CA ? ? 1 +14872 C C A ALA D 224 0.5329 0.8723 1.0084 0.1214 -0.0517 0.0669 234 ALA D C ? ? 1 +14873 C C B ALA D 224 0.5654 0.9058 1.0418 0.1216 -0.0518 0.0667 234 ALA D C ? ? 1 +14874 O O A ALA D 224 0.5241 0.8752 1.0051 0.1225 -0.0546 0.0670 234 ALA D O ? ? 1 +14875 O O B ALA D 224 0.5540 0.9082 1.0378 0.1220 -0.0546 0.0664 234 ALA D O ? ? 1 +14876 C CB A ALA D 224 0.5332 0.8878 1.0192 0.1377 -0.0588 0.0622 234 ALA D CB ? ? 1 +14877 C CB B ALA D 224 0.5673 0.9224 1.0536 0.1382 -0.0590 0.0620 234 ALA D CB ? ? 1 +14878 N N A PHE D 225 0.5352 0.8638 1.0053 0.1127 -0.0466 0.0685 235 PHE D N ? ? 1 +14879 N N B PHE D 225 0.5693 0.8971 1.0386 0.1135 -0.0469 0.0686 235 PHE D N ? ? 1 +14880 C CA A PHE D 225 0.5283 0.8577 0.9981 0.1045 -0.0442 0.0706 235 PHE D CA ? ? 1 +14881 C CA B PHE D 225 0.5609 0.8900 1.0303 0.1052 -0.0445 0.0706 235 PHE D CA ? ? 1 +14882 C C A PHE D 225 0.5461 0.8540 1.0012 0.0997 -0.0397 0.0736 235 PHE D C ? ? 1 +14883 C C B PHE D 225 0.5809 0.8885 1.0356 0.1004 -0.0399 0.0736 235 PHE D C ? ? 1 +14884 O O A PHE D 225 0.5523 0.8507 1.0042 0.0969 -0.0366 0.0730 235 PHE D O ? ? 1 +14885 O O B PHE D 225 0.5878 0.8856 1.0391 0.0980 -0.0370 0.0730 235 PHE D O ? ? 1 +14886 C CB A PHE D 225 0.5046 0.8512 0.9900 0.0959 -0.0423 0.0684 235 PHE D CB ? ? 1 +14887 C CB B PHE D 225 0.5345 0.8808 1.0196 0.0966 -0.0426 0.0683 235 PHE D CB ? ? 1 +14888 C CG A PHE D 225 0.4981 0.8455 0.9834 0.0874 -0.0396 0.0704 235 PHE D CG ? ? 1 +14889 C CG B PHE D 225 0.5264 0.8736 1.0116 0.0879 -0.0398 0.0703 235 PHE D CG ? ? 1 +14890 C CD1 A PHE D 225 0.4886 0.8464 0.9778 0.0881 -0.0421 0.0711 235 PHE D CD1 ? ? 1 +14891 C CD1 B PHE D 225 0.5154 0.8727 1.0042 0.0885 -0.0422 0.0711 235 PHE D CD1 ? ? 1 +14892 C CD2 A PHE D 225 0.5014 0.8383 0.9821 0.0790 -0.0346 0.0716 235 PHE D CD2 ? ? 1 +14893 C CD2 B PHE D 225 0.5279 0.8653 1.0091 0.0793 -0.0347 0.0714 235 PHE D CD2 ? ? 1 +14894 C CE1 A PHE D 225 0.4842 0.8423 0.9729 0.0806 -0.0394 0.0730 235 PHE D CE1 ? ? 1 +14895 C CE1 B PHE D 225 0.5102 0.8679 0.9987 0.0808 -0.0394 0.0730 235 PHE D CE1 ? ? 1 +14896 C CE2 A PHE D 225 0.4961 0.8340 0.9768 0.0714 -0.0319 0.0734 235 PHE D CE2 ? ? 1 +14897 C CE2 B PHE D 225 0.5209 0.8594 1.0024 0.0716 -0.0320 0.0731 235 PHE D CE2 ? ? 1 +14898 C CZ A PHE D 225 0.4881 0.8364 0.9727 0.0724 -0.0342 0.0742 235 PHE D CZ ? ? 1 +14899 C CZ B PHE D 225 0.5134 0.8619 0.9985 0.0725 -0.0342 0.0740 235 PHE D CZ ? ? 1 +14900 N N A ASN D 226 0.5553 0.8559 1.0014 0.0987 -0.0392 0.0769 236 ASN D N ? ? 1 +14901 N N B ASN D 226 0.5924 0.8926 1.0382 0.0989 -0.0393 0.0769 236 ASN D N ? ? 1 +14902 C CA A ASN D 226 0.5731 0.8534 1.0049 0.0940 -0.0347 0.0800 236 ASN D CA ? ? 1 +14903 C CA B ASN D 226 0.6120 0.8923 1.0440 0.0939 -0.0346 0.0799 236 ASN D CA ? ? 1 +14904 C C A ASN D 226 0.5632 0.8482 0.9984 0.0845 -0.0314 0.0814 236 ASN D C ? ? 1 +14905 C C B ASN D 226 0.6011 0.8869 1.0371 0.0843 -0.0314 0.0812 236 ASN D C ? ? 1 +14906 O O A ASN D 226 0.5573 0.8494 0.9936 0.0858 -0.0334 0.0825 236 ASN D O ? ? 1 +14907 O O B ASN D 226 0.5919 0.8863 1.0303 0.0856 -0.0336 0.0821 236 ASN D O ? ? 1 +14908 C CB A ASN D 226 0.5984 0.8616 1.0131 0.1025 -0.0367 0.0830 236 ASN D CB ? ? 1 +14909 C CB B ASN D 226 0.6419 0.9043 1.0563 0.1019 -0.0363 0.0830 236 ASN D CB ? ? 1 +14910 C CG A ASN D 226 0.6217 0.8616 1.0200 0.0986 -0.0318 0.0862 236 ASN D CG ? ? 1 +14911 C CG B ASN D 226 0.6688 0.9084 1.0675 0.0974 -0.0311 0.0862 236 ASN D CG ? ? 1 +14912 O OD1 A ASN D 226 0.6268 0.8629 1.0216 0.0916 -0.0283 0.0885 236 ASN D OD1 ? ? 1 +14913 O OD1 B ASN D 226 0.6785 0.9148 1.0741 0.0903 -0.0276 0.0884 236 ASN D OD1 ? ? 1 +14914 N ND2 A ASN D 226 0.6405 0.8639 1.0281 0.1030 -0.0312 0.0865 236 ASN D ND2 ? ? 1 +14915 N ND2 B ASN D 226 0.6892 0.9122 1.0774 0.1012 -0.0303 0.0864 236 ASN D ND2 ? ? 1 +14916 N N A PRO D 227 0.5605 0.8422 0.9978 0.0748 -0.0263 0.0812 237 PRO D N ? ? 1 +14917 N N B PRO D 227 0.6007 0.8819 1.0377 0.0746 -0.0261 0.0812 237 PRO D N ? ? 1 +14918 C CA A PRO D 227 0.5491 0.8373 0.9917 0.0654 -0.0230 0.0820 237 PRO D CA ? ? 1 +14919 C CA B PRO D 227 0.5889 0.8766 1.0312 0.0653 -0.0229 0.0821 237 PRO D CA ? ? 1 +14920 C C A PRO D 227 0.5560 0.8384 0.9894 0.0662 -0.0228 0.0854 237 PRO D C ? ? 1 +14921 C C B PRO D 227 0.5963 0.8776 1.0290 0.0659 -0.0225 0.0855 237 PRO D C ? ? 1 +14922 O O A PRO D 227 0.5445 0.8382 0.9850 0.0615 -0.0222 0.0855 237 PRO D O ? ? 1 +14923 O O B PRO D 227 0.5861 0.8784 1.0258 0.0611 -0.0218 0.0857 237 PRO D O ? ? 1 +14924 C CB A PRO D 227 0.5556 0.8324 0.9950 0.0570 -0.0175 0.0820 237 PRO D CB ? ? 1 +14925 C CB B PRO D 227 0.5945 0.8713 1.0340 0.0567 -0.0174 0.0820 237 PRO D CB ? ? 1 +14926 C CG A PRO D 227 0.5588 0.8330 0.9994 0.0606 -0.0187 0.0795 237 PRO D CG ? ? 1 +14927 C CG B PRO D 227 0.5987 0.8725 1.0390 0.0604 -0.0185 0.0796 237 PRO D CG ? ? 1 +14928 C CD A PRO D 227 0.5674 0.8391 1.0022 0.0725 -0.0236 0.0799 237 PRO D CD ? ? 1 +14929 C CD B PRO D 227 0.6091 0.8789 1.0425 0.0722 -0.0232 0.0802 237 PRO D CD ? ? 1 +14930 N N A THR D 228 0.5760 0.8401 0.9929 0.0722 -0.0232 0.0881 238 THR D N ? ? 1 +14931 N N B THR D 228 0.6163 0.8791 1.0324 0.0719 -0.0228 0.0882 238 THR D N ? ? 1 +14932 C CA A THR D 228 0.5859 0.8408 0.9912 0.0728 -0.0222 0.0916 238 THR D CA ? ? 1 +14933 C CA B THR D 228 0.6264 0.8801 1.0308 0.0728 -0.0221 0.0918 238 THR D CA ? ? 1 +14934 C C A THR D 228 0.5861 0.8468 0.9894 0.0824 -0.0282 0.0921 238 THR D C ? ? 1 +14935 C C B THR D 228 0.6280 0.8868 1.0300 0.0828 -0.0281 0.0923 238 THR D C ? ? 1 +14936 O O A THR D 228 0.5964 0.8500 0.9897 0.0838 -0.0281 0.0950 238 THR D O ? ? 1 +14937 O O B THR D 228 0.6415 0.8912 1.0319 0.0849 -0.0281 0.0952 238 THR D O ? ? 1 +14938 C CB A THR D 228 0.6102 0.8396 0.9969 0.0724 -0.0182 0.0947 238 THR D CB ? ? 1 +14939 C CB B THR D 228 0.6500 0.8781 1.0359 0.0723 -0.0180 0.0949 238 THR D CB ? ? 1 +14940 O OG1 A THR D 228 0.6195 0.8396 1.0003 0.0798 -0.0205 0.0940 238 THR D OG1 ? ? 1 +14941 O OG1 B THR D 228 0.6591 0.8773 1.0376 0.0808 -0.0208 0.0945 238 THR D OG1 ? ? 1 +14942 C CG2 A THR D 228 0.6109 0.8344 0.9986 0.0609 -0.0114 0.0950 238 THR D CG2 ? ? 1 +14943 C CG2 B THR D 228 0.6510 0.8736 1.0386 0.0611 -0.0114 0.0947 238 THR D CG2 ? ? 1 +14944 N N A GLN D 229 0.5752 0.8491 0.9883 0.0888 -0.0334 0.0892 239 GLN D N ? ? 1 +14945 N N B GLN D 229 0.6160 0.8893 1.0287 0.0888 -0.0333 0.0892 239 GLN D N ? ? 1 +14946 C CA A GLN D 229 0.5722 0.8536 0.9853 0.0979 -0.0395 0.0890 239 GLN D CA ? ? 1 +14947 C CA B GLN D 229 0.6118 0.8925 1.0245 0.0978 -0.0394 0.0891 239 GLN D CA ? ? 1 +14948 C C A GLN D 229 0.5569 0.8529 0.9782 0.0938 -0.0401 0.0890 239 GLN D C ? ? 1 +14949 C C B GLN D 229 0.5976 0.8922 1.0179 0.0936 -0.0398 0.0892 239 GLN D C ? ? 1 +14950 O O A GLN D 229 0.5392 0.8466 0.9722 0.0854 -0.0373 0.0877 239 GLN D O ? ? 1 +14951 O O B GLN D 229 0.5782 0.8839 1.0099 0.0851 -0.0369 0.0880 239 GLN D O ? ? 1 +14952 C CB A GLN D 229 0.5616 0.8559 0.9857 0.1045 -0.0443 0.0854 239 GLN D CB ? ? 1 +14953 C CB B GLN D 229 0.5991 0.8931 1.0230 0.1045 -0.0442 0.0855 239 GLN D CB ? ? 1 +14954 C CG A GLN D 229 0.5365 0.8525 0.9802 0.0987 -0.0442 0.0821 239 GLN D CG ? ? 1 +14955 C CG B GLN D 229 0.5730 0.8893 1.0167 0.0989 -0.0443 0.0821 239 GLN D CG ? ? 1 +14956 C CD A GLN D 229 0.5277 0.8547 0.9813 0.1048 -0.0479 0.0786 239 GLN D CD ? ? 1 +14957 C CD B GLN D 229 0.5628 0.8899 1.0163 0.1048 -0.0480 0.0786 239 GLN D CD ? ? 1 +14958 O OE1 A GLN D 229 0.5344 0.8525 0.9841 0.1074 -0.0471 0.0779 239 GLN D OE1 ? ? 1 +14959 O OE1 B GLN D 229 0.5672 0.8853 1.0169 0.1074 -0.0471 0.0780 239 GLN D OE1 ? ? 1 +14960 N NE2 A GLN D 229 0.5128 0.8591 0.9792 0.1070 -0.0519 0.0763 239 GLN D NE2 ? ? 1 +14961 N NE2 B GLN D 229 0.5487 0.8952 1.0151 0.1071 -0.0520 0.0763 239 GLN D NE2 ? ? 1 +14962 N N A ALA D 230 0.5636 0.8588 0.9782 0.1001 -0.0440 0.0905 240 ALA D N ? ? 1 +14963 N N B ALA D 230 0.6065 0.9002 1.0200 0.0999 -0.0437 0.0907 240 ALA D N ? ? 1 +14964 C CA A ALA D 230 0.5523 0.8587 0.9720 0.0968 -0.0446 0.0908 240 ALA D CA ? ? 1 +14965 C CA B ALA D 230 0.5963 0.9010 1.0147 0.0968 -0.0443 0.0911 240 ALA D CA ? ? 1 +14966 C C A ALA D 230 0.5322 0.8621 0.9694 0.0988 -0.0494 0.0871 240 ALA D C ? ? 1 +14967 C C B ALA D 230 0.5785 0.9068 1.0145 0.0986 -0.0491 0.0874 240 ALA D C ? ? 1 +14968 O O A ALA D 230 0.5174 0.8608 0.9651 0.0927 -0.0484 0.0862 240 ALA D O ? ? 1 +14969 O O B ALA D 230 0.5657 0.9071 1.0116 0.0926 -0.0481 0.0866 240 ALA D O ? ? 1 +14970 C CB A ALA D 230 0.5692 0.8635 0.9730 0.1024 -0.0465 0.0939 240 ALA D CB ? ? 1 +14971 C CB B ALA D 230 0.6129 0.9056 1.0154 0.1026 -0.0464 0.0942 240 ALA D CB ? ? 1 +14972 N N A GLU D 231 0.5333 0.8678 0.9736 0.1072 -0.0544 0.0850 241 GLU D N ? ? 1 +14973 N N B GLU D 231 0.5818 0.9152 1.0217 0.1067 -0.0539 0.0852 241 GLU D N ? ? 1 +14974 C CA A GLU D 231 0.5154 0.8710 0.9710 0.1104 -0.0594 0.0816 241 GLU D CA ? ? 1 +14975 C CA B GLU D 231 0.5649 0.9193 1.0198 0.1100 -0.0590 0.0818 241 GLU D CA ? ? 1 +14976 C C A GLU D 231 0.4906 0.8617 0.9634 0.1039 -0.0574 0.0785 241 GLU D C ? ? 1 +14977 C C B GLU D 231 0.5338 0.9040 1.0060 0.1035 -0.0570 0.0787 241 GLU D C ? ? 1 +14978 O O A GLU D 231 0.4944 0.8604 0.9679 0.1017 -0.0544 0.0779 241 GLU D O ? ? 1 +14979 O O B GLU D 231 0.5412 0.9059 1.0140 0.1007 -0.0537 0.0782 241 GLU D O ? ? 1 +14980 C CB A GLU D 231 0.5272 0.8828 0.9810 0.1216 -0.0652 0.0802 241 GLU D CB ? ? 1 +14981 C CB B GLU D 231 0.5834 0.9382 1.0367 0.1213 -0.0649 0.0803 241 GLU D CB ? ? 1 +14982 C CG A GLU D 231 0.5546 0.8903 0.9891 0.1291 -0.0668 0.0833 241 GLU D CG ? ? 1 +14983 C CG B GLU D 231 0.6173 0.9532 1.0517 0.1294 -0.0671 0.0833 241 GLU D CG ? ? 1 +14984 C CD A GLU D 231 0.5742 0.8901 0.9970 0.1279 -0.0623 0.0852 241 GLU D CD ? ? 1 +14985 C CD B GLU D 231 0.6473 0.9629 1.0691 0.1298 -0.0633 0.0852 241 GLU D CD ? ? 1 +14986 O OE1 A GLU D 231 0.5805 0.8952 1.0052 0.1324 -0.0634 0.0835 241 GLU D OE1 ? ? 1 +14987 O OE1 B GLU D 231 0.6508 0.9690 1.0799 0.1280 -0.0615 0.0832 241 GLU D OE1 ? ? 1 +14988 O OE2 A GLU D 231 0.5855 0.8874 0.9976 0.1220 -0.0573 0.0884 241 GLU D OE2 ? ? 1 +14989 O OE2 B GLU D 231 0.6776 0.9741 1.0817 0.1323 -0.0623 0.0887 241 GLU D OE2 ? ? 1 +14990 N N A GLU D 232 0.4655 0.8552 0.9517 0.1013 -0.0591 0.0765 242 GLU D N ? ? 1 +14991 N N B GLU D 232 0.5002 0.8893 0.9860 0.1015 -0.0591 0.0765 242 GLU D N ? ? 1 +14992 C CA A GLU D 232 0.4412 0.8468 0.9439 0.0963 -0.0580 0.0733 242 GLU D CA ? ? 1 +14993 C CA B GLU D 232 0.4699 0.8750 0.9723 0.0966 -0.0580 0.0733 242 GLU D CA ? ? 1 +14994 C C A GLU D 232 0.4361 0.8435 0.9426 0.1024 -0.0601 0.0709 242 GLU D C ? ? 1 +14995 C C B GLU D 232 0.4582 0.8655 0.9647 0.1028 -0.0603 0.0709 242 GLU D C ? ? 1 +14996 O O A GLU D 232 0.4461 0.8503 0.9475 0.1114 -0.0644 0.0708 242 GLU D O ? ? 1 +14997 O O B GLU D 232 0.4680 0.8723 0.9695 0.1118 -0.0646 0.0707 242 GLU D O ? ? 1 +14998 C CB A GLU D 232 0.4261 0.8506 0.9413 0.0947 -0.0606 0.0714 242 GLU D CB ? ? 1 +14999 C CB B GLU D 232 0.4561 0.8803 0.9711 0.0948 -0.0606 0.0714 242 GLU D CB ? ? 1 +15000 C CG A GLU D 232 0.4305 0.8610 0.9457 0.1035 -0.0671 0.0704 242 GLU D CG ? ? 1 +15001 C CG B GLU D 232 0.4604 0.8921 0.9768 0.1035 -0.0671 0.0701 242 GLU D CG ? ? 1 +15002 C CD A GLU D 232 0.4140 0.8643 0.9429 0.1022 -0.0700 0.0679 242 GLU D CD ? ? 1 +15003 C CD B GLU D 232 0.4440 0.8954 0.9743 0.1017 -0.0697 0.0676 242 GLU D CD ? ? 1 +15004 O OE1 A GLU D 232 0.4027 0.8606 0.9390 0.0941 -0.0669 0.0676 242 GLU D OE1 ? ? 1 +15005 O OE1 B GLU D 232 0.4345 0.8933 0.9723 0.0935 -0.0664 0.0673 242 GLU D OE1 ? ? 1 +15006 O OE2 A GLU D 232 0.4131 0.8715 0.9456 0.1093 -0.0754 0.0660 242 GLU D OE2 ? ? 1 +15007 O OE2 B GLU D 232 0.4421 0.9017 0.9759 0.1085 -0.0752 0.0659 242 GLU D OE2 ? ? 1 +15008 N N A THR D 233 0.4204 0.8324 0.9355 0.0977 -0.0571 0.0690 243 THR D N ? ? 1 +15009 N N B THR D 233 0.4368 0.8486 0.9517 0.0980 -0.0572 0.0690 243 THR D N ? ? 1 +15010 C CA A THR D 233 0.4177 0.8297 0.9355 0.1027 -0.0581 0.0669 243 THR D CA ? ? 1 +15011 C CA B THR D 233 0.4301 0.8421 0.9479 0.1030 -0.0582 0.0668 243 THR D CA ? ? 1 +15012 C C A THR D 233 0.3988 0.8310 0.9320 0.1057 -0.0617 0.0632 243 THR D C ? ? 1 +15013 C C B THR D 233 0.4081 0.8404 0.9416 0.1059 -0.0617 0.0631 243 THR D C ? ? 1 +15014 O O A THR D 233 0.3993 0.8341 0.9356 0.1120 -0.0638 0.0611 243 THR D O ? ? 1 +15015 O O B THR D 233 0.4070 0.8418 0.9437 0.1118 -0.0636 0.0610 243 THR D O ? ? 1 +15016 C CB A THR D 233 0.4161 0.8215 0.9340 0.0961 -0.0530 0.0667 243 THR D CB ? ? 1 +15017 C CB B THR D 233 0.4284 0.8330 0.9456 0.0965 -0.0530 0.0667 243 THR D CB ? ? 1 +15018 O OG1 A THR D 233 0.4232 0.8238 0.9396 0.1018 -0.0537 0.0652 243 THR D OG1 ? ? 1 +15019 O OG1 B THR D 233 0.4367 0.8356 0.9517 0.1023 -0.0537 0.0654 243 THR D OG1 ? ? 1 +15020 C CG2 A THR D 233 0.3962 0.8166 0.9282 0.0882 -0.0508 0.0646 243 THR D CG2 ? ? 1 +15021 C CG2 B THR D 233 0.4082 0.8276 0.9396 0.0886 -0.0508 0.0646 243 THR D CG2 ? ? 1 +15022 N N A TYR D 234 0.3802 0.8266 0.9231 0.1012 -0.0622 0.0624 244 TYR D N ? ? 1 +15023 N N B TYR D 234 0.3871 0.8337 0.9303 0.1013 -0.0622 0.0623 244 TYR D N ? ? 1 +15024 C CA A TYR D 234 0.3623 0.8284 0.9202 0.1028 -0.0652 0.0590 244 TYR D CA ? ? 1 +15025 C CA B TYR D 234 0.3672 0.8334 0.9254 0.1030 -0.0652 0.0589 244 TYR D CA ? ? 1 +15026 C C A TYR D 234 0.3551 0.8297 0.9152 0.1038 -0.0687 0.0592 244 TYR D C ? ? 1 +15027 C C B TYR D 234 0.3595 0.8341 0.9197 0.1039 -0.0687 0.0591 244 TYR D C ? ? 1 +15028 O O A TYR D 234 0.3615 0.8277 0.9124 0.1018 -0.0681 0.0620 244 TYR D O ? ? 1 +15029 O O B TYR D 234 0.3654 0.8319 0.9169 0.1015 -0.0679 0.0619 244 TYR D O ? ? 1 +15030 C CB A TYR D 234 0.3459 0.8228 0.9160 0.0951 -0.0617 0.0570 244 TYR D CB ? ? 1 +15031 C CB B TYR D 234 0.3501 0.8272 0.9206 0.0952 -0.0617 0.0569 244 TYR D CB ? ? 1 +15032 C CG A TYR D 234 0.3385 0.8175 0.9101 0.0863 -0.0589 0.0584 244 TYR D CG ? ? 1 +15033 C CG B TYR D 234 0.3428 0.8220 0.9147 0.0864 -0.0589 0.0583 244 TYR D CG ? ? 1 +15034 C CD1 A TYR D 234 0.3462 0.8115 0.9084 0.0809 -0.0548 0.0611 244 TYR D CD1 ? ? 1 +15035 C CD1 B TYR D 234 0.3502 0.8160 0.9131 0.0809 -0.0547 0.0609 244 TYR D CD1 ? ? 1 +15036 C CD2 A TYR D 234 0.3241 0.8188 0.9064 0.0833 -0.0602 0.0570 244 TYR D CD2 ? ? 1 +15037 C CD2 B TYR D 234 0.3285 0.8233 0.9110 0.0836 -0.0603 0.0569 244 TYR D CD2 ? ? 1 +15038 C CE1 A TYR D 234 0.3390 0.8069 0.9031 0.0731 -0.0521 0.0622 244 TYR D CE1 ? ? 1 +15039 C CE1 B TYR D 234 0.3432 0.8115 0.9079 0.0730 -0.0520 0.0620 244 TYR D CE1 ? ? 1 +15040 C CE2 A TYR D 234 0.3172 0.8137 0.9007 0.0757 -0.0576 0.0582 244 TYR D CE2 ? ? 1 +15041 C CE2 B TYR D 234 0.3217 0.8183 0.9053 0.0760 -0.0577 0.0582 244 TYR D CE2 ? ? 1 +15042 C CZ A TYR D 234 0.3249 0.8083 0.8995 0.0707 -0.0536 0.0608 244 TYR D CZ ? ? 1 +15043 C CZ B TYR D 234 0.3292 0.8129 0.9042 0.0708 -0.0536 0.0607 244 TYR D CZ ? ? 1 +15044 O OH A TYR D 234 0.3191 0.8047 0.8953 0.0633 -0.0509 0.0619 244 TYR D OH ? ? 1 +15045 O OH B TYR D 234 0.3242 0.8102 0.9009 0.0634 -0.0509 0.0618 244 TYR D OH ? ? 1 +15046 N N A SER D 235 0.3417 0.8330 0.9140 0.1068 -0.0723 0.0561 245 SER D N ? ? 1 +15047 N N B SER D 235 0.3462 0.8370 0.9182 0.1074 -0.0725 0.0561 245 SER D N ? ? 1 +15048 C CA A SER D 235 0.3354 0.8355 0.9104 0.1087 -0.0764 0.0558 245 SER D CA ? ? 1 +15049 C CA B SER D 235 0.3389 0.8386 0.9136 0.1092 -0.0766 0.0558 245 SER D CA ? ? 1 +15050 C C A SER D 235 0.3169 0.8297 0.9022 0.1006 -0.0747 0.0549 245 SER D C ? ? 1 +15051 C C B SER D 235 0.3199 0.8323 0.9050 0.1010 -0.0747 0.0549 245 SER D C ? ? 1 +15052 O O A SER D 235 0.3034 0.8299 0.9018 0.0981 -0.0741 0.0521 245 SER D O ? ? 1 +15053 O O B SER D 235 0.3067 0.8329 0.9050 0.0986 -0.0742 0.0520 245 SER D O ? ? 1 +15054 C CB A SER D 235 0.3335 0.8447 0.9158 0.1170 -0.0818 0.0528 245 SER D CB ? ? 1 +15055 C CB B SER D 235 0.3362 0.8470 0.9181 0.1174 -0.0820 0.0528 245 SER D CB ? ? 1 +15056 O OG A SER D 235 0.3279 0.8486 0.9138 0.1179 -0.0858 0.0521 245 SER D OG ? ? 1 +15057 O OG B SER D 235 0.3297 0.8501 0.9153 0.1181 -0.0858 0.0521 245 SER D OG ? ? 1 +15058 N N A MET D 236 0.3174 0.8250 0.8960 0.0968 -0.0737 0.0574 246 MET D N ? ? 1 +15059 N N B MET D 236 0.3201 0.8274 0.8986 0.0970 -0.0737 0.0573 246 MET D N ? ? 1 +15060 C CA A MET D 236 0.3015 0.8195 0.8882 0.0894 -0.0721 0.0569 246 MET D CA ? ? 1 +15061 C CA B MET D 236 0.3040 0.8220 0.8910 0.0896 -0.0721 0.0567 246 MET D CA ? ? 1 +15062 C C A MET D 236 0.2907 0.8238 0.8865 0.0924 -0.0769 0.0543 246 MET D C ? ? 1 +15063 C C B MET D 236 0.2922 0.8257 0.8887 0.0926 -0.0769 0.0541 246 MET D C ? ? 1 +15064 O O A MET D 236 0.2767 0.8223 0.8831 0.0873 -0.0762 0.0527 246 MET D O ? ? 1 +15065 O O B MET D 236 0.2779 0.8245 0.8858 0.0877 -0.0761 0.0522 246 MET D O ? ? 1 +15066 C CB A MET D 236 0.3087 0.8156 0.8847 0.0850 -0.0696 0.0603 246 MET D CB ? ? 1 +15067 C CB B MET D 236 0.3116 0.8188 0.8879 0.0854 -0.0697 0.0601 246 MET D CB ? ? 1 +15068 C CG A MET D 236 0.2963 0.8123 0.8795 0.0775 -0.0675 0.0600 246 MET D CG ? ? 1 +15069 C CG B MET D 236 0.2996 0.8158 0.8831 0.0777 -0.0675 0.0598 246 MET D CG ? ? 1 +15070 S SD A MET D 236 0.2851 0.8056 0.8776 0.0694 -0.0621 0.0589 246 MET D SD ? ? 1 +15071 S SD B MET D 236 0.2901 0.8094 0.8818 0.0694 -0.0619 0.0590 246 MET D SD ? ? 1 +15072 C CE A MET D 236 0.2720 0.8031 0.8715 0.0625 -0.0610 0.0586 246 MET D CE ? ? 1 +15073 C CE B MET D 236 0.2775 0.8071 0.8760 0.0624 -0.0607 0.0588 246 MET D CE ? ? 1 +15074 N N A VAL D 237 0.2979 0.8296 0.8895 0.1007 -0.0820 0.0539 247 VAL D N ? ? 1 +15075 N N B VAL D 237 0.2992 0.8310 0.8909 0.1007 -0.0819 0.0539 247 VAL D N ? ? 1 +15076 C CA A VAL D 237 0.2897 0.8355 0.8896 0.1041 -0.0871 0.0513 247 VAL D CA ? ? 1 +15077 C CA B VAL D 237 0.2904 0.8363 0.8906 0.1041 -0.0871 0.0512 247 VAL D CA ? ? 1 +15078 C C A VAL D 237 0.2756 0.8367 0.8909 0.1049 -0.0878 0.0474 247 VAL D C ? ? 1 +15079 C C B VAL D 237 0.2759 0.8370 0.8913 0.1050 -0.0878 0.0473 247 VAL D C ? ? 1 +15080 O O A VAL D 237 0.2625 0.8382 0.8895 0.1018 -0.0887 0.0450 247 VAL D O ? ? 1 +15081 O O B VAL D 237 0.2627 0.8385 0.8898 0.1021 -0.0888 0.0449 247 VAL D O ? ? 1 +15082 C CB A VAL D 237 0.3046 0.8440 0.8949 0.1131 -0.0927 0.0519 247 VAL D CB ? ? 1 +15083 C CB B VAL D 237 0.3058 0.8452 0.8961 0.1130 -0.0926 0.0519 247 VAL D CB ? ? 1 +15084 C CG1 A VAL D 237 0.2986 0.8539 0.8992 0.1173 -0.0985 0.0484 247 VAL D CG1 ? ? 1 +15085 C CG1 B VAL D 237 0.3000 0.8549 0.9003 0.1173 -0.0984 0.0485 247 VAL D CG1 ? ? 1 +15086 C CG2 A VAL D 237 0.3154 0.8416 0.8912 0.1119 -0.0922 0.0555 247 VAL D CG2 ? ? 1 +15087 C CG2 B VAL D 237 0.3167 0.8429 0.8926 0.1116 -0.0920 0.0555 247 VAL D CG2 ? ? 1 +15088 N N A THR D 238 0.2784 0.8356 0.8932 0.1091 -0.0872 0.0467 248 THR D N ? ? 1 +15089 N N B THR D 238 0.2779 0.8350 0.8928 0.1090 -0.0871 0.0467 248 THR D N ? ? 1 +15090 C CA A THR D 238 0.2669 0.8375 0.8954 0.1103 -0.0874 0.0431 248 THR D CA ? ? 1 +15091 C CA B THR D 238 0.2660 0.8365 0.8946 0.1102 -0.0872 0.0431 248 THR D CA ? ? 1 +15092 C C A THR D 238 0.2501 0.8275 0.8875 0.1014 -0.0824 0.0424 248 THR D C ? ? 1 +15093 C C B THR D 238 0.2488 0.8261 0.8863 0.1014 -0.0822 0.0423 248 THR D C ? ? 1 +15094 O O A THR D 238 0.2377 0.8303 0.8882 0.0993 -0.0827 0.0395 248 THR D O ? ? 1 +15095 O O B THR D 238 0.2367 0.8291 0.8874 0.0996 -0.0825 0.0393 248 THR D O ? ? 1 +15096 C CB A THR D 238 0.2771 0.8404 0.9016 0.1169 -0.0877 0.0428 248 THR D CB ? ? 1 +15097 C CB B THR D 238 0.2765 0.8396 0.9010 0.1170 -0.0876 0.0428 248 THR D CB ? ? 1 +15098 O OG1 A THR D 238 0.2895 0.8490 0.9074 0.1258 -0.0931 0.0430 248 THR D OG1 ? ? 1 +15099 O OG1 B THR D 238 0.2882 0.8487 0.9070 0.1259 -0.0932 0.0428 248 THR D OG1 ? ? 1 +15100 C CG2 A THR D 238 0.2677 0.8436 0.9057 0.1174 -0.0867 0.0393 248 THR D CG2 ? ? 1 +15101 C CG2 B THR D 238 0.2669 0.8421 0.9046 0.1173 -0.0864 0.0394 248 THR D CG2 ? ? 1 +15102 N N A ALA D 239 0.2502 0.8160 0.8803 0.0963 -0.0778 0.0449 249 ALA D N ? ? 1 +15103 N N B ALA D 239 0.2479 0.8138 0.8781 0.0960 -0.0777 0.0450 249 ALA D N ? ? 1 +15104 C CA A ALA D 239 0.2357 0.8064 0.8726 0.0879 -0.0732 0.0446 249 ALA D CA ? ? 1 +15105 C CA B ALA D 239 0.2331 0.8041 0.8703 0.0876 -0.0731 0.0446 249 ALA D CA ? ? 1 +15106 C C A ALA D 239 0.2218 0.8048 0.8667 0.0834 -0.0741 0.0436 249 ALA D C ? ? 1 +15107 C C B ALA D 239 0.2187 0.8019 0.8639 0.0831 -0.0739 0.0435 249 ALA D C ? ? 1 +15108 O O A ALA D 239 0.2087 0.8036 0.8650 0.0797 -0.0727 0.0413 249 ALA D O ? ? 1 +15109 O O B ALA D 239 0.2054 0.8006 0.8621 0.0794 -0.0725 0.0412 249 ALA D O ? ? 1 +15110 C CB A ALA D 239 0.2416 0.7976 0.8681 0.0830 -0.0690 0.0478 249 ALA D CB ? ? 1 +15111 C CB B ALA D 239 0.2386 0.7951 0.8657 0.0827 -0.0688 0.0477 249 ALA D CB ? ? 1 +15112 N N A ASN D 240 0.2248 0.8041 0.8631 0.0839 -0.0763 0.0453 250 ASN D N ? ? 1 +15113 N N B ASN D 240 0.2215 0.8010 0.8601 0.0835 -0.0761 0.0453 250 ASN D N ? ? 1 +15114 C CA A ASN D 240 0.2141 0.8030 0.8581 0.0796 -0.0771 0.0446 250 ASN D CA ? ? 1 +15115 C CA B ASN D 240 0.2107 0.7999 0.8551 0.0793 -0.0770 0.0446 250 ASN D CA ? ? 1 +15116 C C A ASN D 240 0.2046 0.8099 0.8615 0.0819 -0.0805 0.0409 250 ASN D C ? ? 1 +15117 C C B ASN D 240 0.2014 0.8069 0.8584 0.0817 -0.0804 0.0409 250 ASN D C ? ? 1 +15118 O O A ASN D 240 0.1916 0.8077 0.8584 0.0767 -0.0789 0.0392 250 ASN D O ? ? 1 +15119 O O B ASN D 240 0.1884 0.8047 0.8551 0.0766 -0.0792 0.0392 250 ASN D O ? ? 1 +15120 C CB A ASN D 240 0.2226 0.8034 0.8558 0.0807 -0.0792 0.0471 250 ASN D CB ? ? 1 +15121 C CB B ASN D 240 0.2193 0.8003 0.8528 0.0802 -0.0789 0.0471 250 ASN D CB ? ? 1 +15122 C CG A ASN D 240 0.2134 0.8033 0.8517 0.0764 -0.0800 0.0464 250 ASN D CG ? ? 1 +15123 C CG B ASN D 240 0.2106 0.8012 0.8494 0.0766 -0.0803 0.0462 250 ASN D CG ? ? 1 +15124 O OD1 A ASN D 240 0.2107 0.8104 0.8547 0.0793 -0.0842 0.0442 250 ASN D OD1 ? ? 1 +15125 O OD1 B ASN D 240 0.2090 0.8088 0.8530 0.0801 -0.0847 0.0441 250 ASN D OD1 ? ? 1 +15126 N ND2 A ASN D 240 0.2088 0.7954 0.8451 0.0694 -0.0760 0.0482 250 ASN D ND2 ? ? 1 +15127 N ND2 B ASN D 240 0.2052 0.7939 0.8429 0.0696 -0.0765 0.0478 250 ASN D ND2 ? ? 1 +15128 N N A ARG D 241 0.2115 0.8187 0.8684 0.0897 -0.0850 0.0395 251 ARG D N ? ? 1 +15129 N N B ARG D 241 0.2084 0.8155 0.8654 0.0896 -0.0847 0.0395 251 ARG D N ? ? 1 +15130 C CA A ARG D 241 0.2039 0.8271 0.8734 0.0922 -0.0883 0.0357 251 ARG D CA ? ? 1 +15131 C CA B ARG D 241 0.2010 0.8239 0.8706 0.0922 -0.0881 0.0357 251 ARG D CA ? ? 1 +15132 C C A ARG D 241 0.1920 0.8245 0.8733 0.0892 -0.0849 0.0333 251 ARG D C ? ? 1 +15133 C C B ARG D 241 0.1887 0.8213 0.8702 0.0892 -0.0848 0.0332 251 ARG D C ? ? 1 +15134 O O A ARG D 241 0.1803 0.8257 0.8727 0.0854 -0.0846 0.0309 251 ARG D O ? ? 1 +15135 O O B ARG D 241 0.1770 0.8226 0.8697 0.0856 -0.0846 0.0308 251 ARG D O ? ? 1 +15136 C CB A ARG D 241 0.2150 0.8383 0.8826 0.1016 -0.0938 0.0344 251 ARG D CB ? ? 1 +15137 C CB B ARG D 241 0.2125 0.8355 0.8801 0.1016 -0.0935 0.0345 251 ARG D CB ? ? 1 +15138 C CG A ARG D 241 0.2096 0.8490 0.8885 0.1037 -0.0983 0.0308 251 ARG D CG ? ? 1 +15139 C CG B ARG D 241 0.2070 0.8464 0.8863 0.1034 -0.0979 0.0308 251 ARG D CG ? ? 1 +15140 C CD A ARG D 241 0.2176 0.8609 0.8991 0.1127 -0.1030 0.0286 251 ARG D CD ? ? 1 +15141 C CD B ARG D 241 0.2169 0.8591 0.8971 0.1127 -0.1031 0.0289 251 ARG D CD ? ? 1 +15142 N NE A ARG D 241 0.2123 0.8721 0.9059 0.1143 -0.1073 0.0247 251 ARG D NE ? ? 1 +15143 N NE B ARG D 241 0.2110 0.8703 0.9042 0.1138 -0.1071 0.0249 251 ARG D NE ? ? 1 +15144 C CZ A ARG D 241 0.2163 0.8785 0.9079 0.1165 -0.1124 0.0242 251 ARG D CZ ? ? 1 +15145 C CZ B ARG D 241 0.2151 0.8778 0.9071 0.1161 -0.1123 0.0242 251 ARG D CZ ? ? 1 +15146 N NH1 A ARG D 241 0.2237 0.8739 0.9021 0.1158 -0.1131 0.0275 251 ARG D NH1 ? ? 1 +15147 N NH1 B ARG D 241 0.2215 0.8737 0.9015 0.1146 -0.1129 0.0272 251 ARG D NH1 ? ? 1 +15148 N NH2 A ARG D 241 0.2129 0.8900 0.9159 0.1195 -0.1169 0.0202 251 ARG D NH2 ? ? 1 +15149 N NH2 B ARG D 241 0.2126 0.8898 0.9158 0.1197 -0.1168 0.0202 251 ARG D NH2 ? ? 1 +15150 N N A PHE D 242 0.1957 0.8209 0.8738 0.0908 -0.0823 0.0339 252 PHE D N ? ? 1 +15151 N N B PHE D 242 0.1918 0.8171 0.8702 0.0906 -0.0820 0.0339 252 PHE D N ? ? 1 +15152 C CA A PHE D 242 0.1868 0.8190 0.8744 0.0882 -0.0787 0.0318 252 PHE D CA ? ? 1 +15153 C CA B PHE D 242 0.1828 0.8151 0.8706 0.0879 -0.0784 0.0318 252 PHE D CA ? ? 1 +15154 C C A PHE D 242 0.1737 0.8123 0.8675 0.0795 -0.0751 0.0316 252 PHE D C ? ? 1 +15155 C C B PHE D 242 0.1695 0.8083 0.8636 0.0793 -0.0750 0.0316 252 PHE D C ? ? 1 +15156 O O A PHE D 242 0.1636 0.8153 0.8691 0.0776 -0.0748 0.0288 252 PHE D O ? ? 1 +15157 O O B PHE D 242 0.1594 0.8114 0.8652 0.0774 -0.0746 0.0288 252 PHE D O ? ? 1 +15158 C CB A PHE D 242 0.1943 0.8143 0.8745 0.0894 -0.0756 0.0333 252 PHE D CB ? ? 1 +15159 C CB B PHE D 242 0.1900 0.8101 0.8705 0.0891 -0.0753 0.0333 252 PHE D CB ? ? 1 +15160 C CG A PHE D 242 0.1864 0.8122 0.8749 0.0864 -0.0716 0.0314 252 PHE D CG ? ? 1 +15161 C CG B PHE D 242 0.1824 0.8082 0.8711 0.0863 -0.0714 0.0313 252 PHE D CG ? ? 1 +15162 C CD1 A PHE D 242 0.1846 0.8202 0.8823 0.0908 -0.0725 0.0282 252 PHE D CD1 ? ? 1 +15163 C CD1 B PHE D 242 0.1813 0.8161 0.8785 0.0911 -0.0723 0.0282 252 PHE D CD1 ? ? 1 +15164 C CD2 A PHE D 242 0.1813 0.8028 0.8684 0.0793 -0.0669 0.0327 252 PHE D CD2 ? ? 1 +15165 C CD2 B PHE D 242 0.1765 0.7989 0.8644 0.0790 -0.0667 0.0325 252 PHE D CD2 ? ? 1 +15166 C CE1 A PHE D 242 0.1781 0.8184 0.8826 0.0881 -0.0685 0.0264 252 PHE D CE1 ? ? 1 +15167 C CE1 B PHE D 242 0.1750 0.8144 0.8790 0.0885 -0.0684 0.0264 252 PHE D CE1 ? ? 1 +15168 C CE2 A PHE D 242 0.1749 0.8012 0.8687 0.0767 -0.0634 0.0309 252 PHE D CE2 ? ? 1 +15169 C CE2 B PHE D 242 0.1704 0.7974 0.8649 0.0766 -0.0632 0.0307 252 PHE D CE2 ? ? 1 +15170 C CZ A PHE D 242 0.1736 0.8090 0.8758 0.0811 -0.0641 0.0278 252 PHE D CZ ? ? 1 +15171 C CZ B PHE D 242 0.1699 0.8053 0.8722 0.0814 -0.0640 0.0277 252 PHE D CZ ? ? 1 +15172 N N A TRP D 243 0.1740 0.8029 0.8599 0.0743 -0.0724 0.0346 253 TRP D N ? ? 1 +15173 N N B TRP D 243 0.1698 0.7989 0.8560 0.0741 -0.0723 0.0345 253 TRP D N ? ? 1 +15174 C CA A TRP D 243 0.1627 0.7958 0.8532 0.0663 -0.0689 0.0347 253 TRP D CA ? ? 1 +15175 C CA B TRP D 243 0.1584 0.7918 0.8492 0.0661 -0.0687 0.0346 253 TRP D CA ? ? 1 +15176 C C A TRP D 243 0.1555 0.7991 0.8524 0.0637 -0.0709 0.0335 253 TRP D C ? ? 1 +15177 C C B TRP D 243 0.1511 0.7950 0.8483 0.0636 -0.0708 0.0334 253 TRP D C ? ? 1 +15178 O O A TRP D 243 0.1445 0.7973 0.8501 0.0589 -0.0689 0.0319 253 TRP D O ? ? 1 +15179 O O B TRP D 243 0.1403 0.7932 0.8461 0.0588 -0.0688 0.0318 253 TRP D O ? ? 1 +15180 C CB A TRP D 243 0.1659 0.7860 0.8464 0.0619 -0.0657 0.0380 253 TRP D CB ? ? 1 +15181 C CB B TRP D 243 0.1614 0.7818 0.8423 0.0616 -0.0655 0.0379 253 TRP D CB ? ? 1 +15182 C CG A TRP D 243 0.1688 0.7815 0.8465 0.0617 -0.0624 0.0384 253 TRP D CG ? ? 1 +15183 C CG B TRP D 243 0.1646 0.7774 0.8425 0.0616 -0.0623 0.0384 253 TRP D CG ? ? 1 +15184 C CD1 A TRP D 243 0.1799 0.7789 0.8471 0.0642 -0.0617 0.0405 253 TRP D CD1 ? ? 1 +15185 C CD1 B TRP D 243 0.1761 0.7750 0.8432 0.0641 -0.0617 0.0405 253 TRP D CD1 ? ? 1 +15186 C CD2 A TRP D 243 0.1610 0.7795 0.8462 0.0590 -0.0594 0.0365 253 TRP D CD2 ? ? 1 +15187 C CD2 B TRP D 243 0.1572 0.7755 0.8424 0.0591 -0.0593 0.0365 253 TRP D CD2 ? ? 1 +15188 N NE1 A TRP D 243 0.1796 0.7756 0.8476 0.0631 -0.0587 0.0399 253 TRP D NE1 ? ? 1 +15189 N NE1 B TRP D 243 0.1762 0.7718 0.8439 0.0632 -0.0587 0.0399 253 TRP D NE1 ? ? 1 +15190 C CE2 A TRP D 243 0.1682 0.7760 0.8470 0.0601 -0.0572 0.0374 253 TRP D CE2 ? ? 1 +15191 C CE2 B TRP D 243 0.1648 0.7721 0.8433 0.0603 -0.0572 0.0375 253 TRP D CE2 ? ? 1 +15192 C CE3 A TRP D 243 0.1492 0.7803 0.8455 0.0558 -0.0582 0.0341 253 TRP D CE3 ? ? 1 +15193 C CE3 B TRP D 243 0.1457 0.7764 0.8418 0.0559 -0.0581 0.0341 253 TRP D CE3 ? ? 1 +15194 C CZ2 A TRP D 243 0.1641 0.7737 0.8472 0.0581 -0.0541 0.0360 253 TRP D CZ2 ? ? 1 +15195 C CZ2 B TRP D 243 0.1612 0.7700 0.8437 0.0585 -0.0542 0.0360 253 TRP D CZ2 ? ? 1 +15196 C CZ3 A TRP D 243 0.1455 0.7780 0.8456 0.0538 -0.0549 0.0328 253 TRP D CZ3 ? ? 1 +15197 C CZ3 B TRP D 243 0.1423 0.7742 0.8421 0.0541 -0.0548 0.0328 253 TRP D CZ3 ? ? 1 +15198 C CH2 A TRP D 243 0.1530 0.7749 0.8465 0.0550 -0.0530 0.0337 253 TRP D CH2 ? ? 1 +15199 C CH2 B TRP D 243 0.1501 0.7712 0.8430 0.0555 -0.0530 0.0338 253 TRP D CH2 ? ? 1 +15200 N N A SER D 244 0.1625 0.8043 0.8545 0.0669 -0.0749 0.0342 254 SER D N ? ? 1 +15201 N N B SER D 244 0.1583 0.8005 0.8507 0.0669 -0.0748 0.0341 254 SER D N ? ? 1 +15202 C CA A SER D 244 0.1576 0.8093 0.8554 0.0653 -0.0775 0.0327 254 SER D CA ? ? 1 +15203 C CA B SER D 244 0.1534 0.8055 0.8516 0.0653 -0.0774 0.0326 254 SER D CA ? ? 1 +15204 C C A SER D 244 0.1516 0.8184 0.8630 0.0662 -0.0786 0.0288 254 SER D C ? ? 1 +15205 C C B SER D 244 0.1474 0.8147 0.8593 0.0662 -0.0787 0.0286 254 SER D C ? ? 1 +15206 O O A SER D 244 0.1425 0.8187 0.8617 0.0617 -0.0781 0.0272 254 SER D O ? ? 1 +15207 O O B SER D 244 0.1383 0.8148 0.8578 0.0616 -0.0780 0.0271 254 SER D O ? ? 1 +15208 C CB A SER D 244 0.1670 0.8142 0.8570 0.0701 -0.0822 0.0337 254 SER D CB ? ? 1 +15209 C CB B SER D 244 0.1627 0.8101 0.8531 0.0700 -0.0821 0.0336 254 SER D CB ? ? 1 +15210 O OG A SER D 244 0.1755 0.8079 0.8524 0.0696 -0.0807 0.0374 254 SER D OG ? ? 1 +15211 O OG B SER D 244 0.1704 0.8037 0.8480 0.0690 -0.0806 0.0373 254 SER D OG ? ? 1 +15212 N N A GLN D 245 0.1573 0.8264 0.8717 0.0721 -0.0801 0.0271 255 GLN D N ? ? 1 +15213 N N B GLN D 245 0.1533 0.8229 0.8681 0.0722 -0.0802 0.0270 255 GLN D N ? ? 1 +15214 C CA A GLN D 245 0.1529 0.8367 0.8805 0.0735 -0.0813 0.0232 255 GLN D CA ? ? 1 +15215 C CA B GLN D 245 0.1492 0.8334 0.8771 0.0737 -0.0814 0.0231 255 GLN D CA ? ? 1 +15216 C C A GLN D 245 0.1455 0.8340 0.8806 0.0692 -0.0762 0.0220 255 GLN D C ? ? 1 +15217 C C B GLN D 245 0.1422 0.8313 0.8778 0.0694 -0.0763 0.0218 255 GLN D C ? ? 1 +15218 O O A GLN D 245 0.1381 0.8392 0.8847 0.0674 -0.0757 0.0190 255 GLN D O ? ? 1 +15219 O O B GLN D 245 0.1353 0.8372 0.8825 0.0680 -0.0760 0.0187 255 GLN D O ? ? 1 +15220 C CB A GLN D 245 0.1619 0.8472 0.8901 0.0823 -0.0853 0.0216 255 GLN D CB ? ? 1 +15221 C CB B GLN D 245 0.1581 0.8436 0.8864 0.0825 -0.0854 0.0215 255 GLN D CB ? ? 1 +15222 C CG A GLN D 245 0.1696 0.8539 0.8929 0.0869 -0.0912 0.0218 255 GLN D CG ? ? 1 +15223 C CG B GLN D 245 0.1657 0.8501 0.8892 0.0871 -0.0913 0.0217 255 GLN D CG ? ? 1 +15224 C CD A GLN D 245 0.1794 0.8642 0.9024 0.0959 -0.0954 0.0204 255 GLN D CD ? ? 1 +15225 C CD B GLN D 245 0.1751 0.8610 0.8990 0.0960 -0.0955 0.0201 255 GLN D CD ? ? 1 +15226 O OE1 A GLN D 245 0.1898 0.8627 0.9030 0.1004 -0.0954 0.0225 255 GLN D OE1 ? ? 1 +15227 O OE1 B GLN D 245 0.1859 0.8601 0.9000 0.1008 -0.0958 0.0222 255 GLN D OE1 ? ? 1 +15228 N NE2 A GLN D 245 0.1770 0.8757 0.9108 0.0989 -0.0993 0.0167 255 GLN D NE2 ? ? 1 +15229 N NE2 B GLN D 245 0.1719 0.8723 0.9073 0.0986 -0.0991 0.0163 255 GLN D NE2 ? ? 1 +15230 N N A ILE D 246 0.1487 0.8268 0.8770 0.0676 -0.0725 0.0242 256 ILE D N ? ? 1 +15231 N N B ILE D 246 0.1451 0.8240 0.8741 0.0676 -0.0725 0.0240 256 ILE D N ? ? 1 +15232 C CA A ILE D 246 0.1430 0.8237 0.8765 0.0638 -0.0677 0.0233 256 ILE D CA ? ? 1 +15233 C CA B ILE D 246 0.1396 0.8213 0.8740 0.0637 -0.0677 0.0231 256 ILE D CA ? ? 1 +15234 C C A ILE D 246 0.1348 0.8179 0.8705 0.0558 -0.0648 0.0239 256 ILE D C ? ? 1 +15235 C C B ILE D 246 0.1322 0.8158 0.8683 0.0557 -0.0648 0.0238 256 ILE D C ? ? 1 +15236 O O A ILE D 246 0.1266 0.8193 0.8715 0.0525 -0.0628 0.0217 256 ILE D O ? ? 1 +15237 O O B ILE D 246 0.1239 0.8170 0.8692 0.0523 -0.0628 0.0217 256 ILE D O ? ? 1 +15238 C CB A ILE D 246 0.1495 0.8179 0.8748 0.0653 -0.0652 0.0252 256 ILE D CB ? ? 1 +15239 C CB B ILE D 246 0.1461 0.8156 0.8723 0.0654 -0.0652 0.0249 256 ILE D CB ? ? 1 +15240 C CG1 A ILE D 246 0.1580 0.8256 0.8829 0.0734 -0.0675 0.0239 256 ILE D CG1 ? ? 1 +15241 C CG1 B ILE D 246 0.1538 0.8234 0.8805 0.0734 -0.0674 0.0234 256 ILE D CG1 ? ? 1 +15242 C CG2 A ILE D 246 0.1430 0.8119 0.8713 0.0601 -0.0602 0.0248 256 ILE D CG2 ? ? 1 +15243 C CG2 B ILE D 246 0.1395 0.8091 0.8684 0.0600 -0.0601 0.0247 256 ILE D CG2 ? ? 1 +15244 C CD1 A ILE D 246 0.1527 0.8332 0.8898 0.0752 -0.0669 0.0202 256 ILE D CD1 ? ? 1 +15245 C CD1 B ILE D 246 0.1486 0.8308 0.8874 0.0750 -0.0666 0.0198 256 ILE D CD1 ? ? 1 +15246 N N A PHE D 247 0.1383 0.8123 0.8652 0.0530 -0.0646 0.0268 257 PHE D N ? ? 1 +15247 N N B PHE D 247 0.1365 0.8107 0.8636 0.0530 -0.0645 0.0268 257 PHE D N ? ? 1 +15248 C CA A PHE D 247 0.1318 0.8052 0.8586 0.0458 -0.0615 0.0280 257 PHE D CA ? ? 1 +15249 C CA B PHE D 247 0.1307 0.8042 0.8576 0.0458 -0.0615 0.0279 257 PHE D CA ? ? 1 +15250 C C A PHE D 247 0.1299 0.8072 0.8574 0.0432 -0.0636 0.0282 257 PHE D C ? ? 1 +15251 C C B PHE D 247 0.1296 0.8067 0.8570 0.0432 -0.0635 0.0282 257 PHE D C ? ? 1 +15252 O O A PHE D 247 0.1231 0.8038 0.8538 0.0376 -0.0614 0.0281 257 PHE D O ? ? 1 +15253 O O B PHE D 247 0.1244 0.8044 0.8544 0.0375 -0.0613 0.0283 257 PHE D O ? ? 1 +15254 C CB A PHE D 247 0.1366 0.7967 0.8533 0.0441 -0.0590 0.0310 257 PHE D CB ? ? 1 +15255 C CB B PHE D 247 0.1354 0.7959 0.8525 0.0440 -0.0590 0.0309 257 PHE D CB ? ? 1 +15256 C CG A PHE D 247 0.1298 0.7887 0.8463 0.0371 -0.0555 0.0321 257 PHE D CG ? ? 1 +15257 C CG B PHE D 247 0.1286 0.7879 0.8456 0.0370 -0.0554 0.0319 257 PHE D CG ? ? 1 +15258 C CD1 A PHE D 247 0.1221 0.7873 0.8457 0.0336 -0.0526 0.0304 257 PHE D CD1 ? ? 1 +15259 C CD1 B PHE D 247 0.1210 0.7869 0.8452 0.0336 -0.0525 0.0302 257 PHE D CD1 ? ? 1 +15260 C CD2 A PHE D 247 0.1317 0.7827 0.8407 0.0342 -0.0550 0.0347 257 PHE D CD2 ? ? 1 +15261 C CD2 B PHE D 247 0.1304 0.7818 0.8399 0.0340 -0.0548 0.0346 257 PHE D CD2 ? ? 1 +15262 C CE1 A PHE D 247 0.1166 0.7803 0.8395 0.0276 -0.0496 0.0314 257 PHE D CE1 ? ? 1 +15263 C CE1 B PHE D 247 0.1155 0.7799 0.8390 0.0276 -0.0496 0.0312 257 PHE D CE1 ? ? 1 +15264 C CE2 A PHE D 247 0.1257 0.7759 0.8349 0.0281 -0.0519 0.0355 257 PHE D CE2 ? ? 1 +15265 C CE2 B PHE D 247 0.1245 0.7752 0.8342 0.0280 -0.0517 0.0354 257 PHE D CE2 ? ? 1 +15266 C CZ A PHE D 247 0.1182 0.7748 0.8343 0.0250 -0.0495 0.0339 257 PHE D CZ ? ? 1 +15267 C CZ B PHE D 247 0.1171 0.7743 0.8338 0.0250 -0.0493 0.0337 257 PHE D CZ ? ? 1 +15268 N N . GLY D 248 0.1375 0.8138 0.8616 0.0475 -0.0678 0.0284 258 GLY D N ? ? 1 +15269 C CA . GLY D 248 0.1378 0.8170 0.8615 0.0457 -0.0702 0.0285 258 GLY D CA ? ? 1 +15270 C C . GLY D 248 0.1483 0.8157 0.8600 0.0460 -0.0710 0.0318 258 GLY D C ? ? 1 +15271 O O . GLY D 248 0.1524 0.8193 0.8605 0.0487 -0.0747 0.0320 258 GLY D O ? ? 1 +15272 N N A ILE D 249 0.1510 0.8089 0.8563 0.0431 -0.0673 0.0343 259 ILE D N ? ? 1 +15273 N N B ILE D 249 0.1525 0.8105 0.8579 0.0432 -0.0673 0.0343 259 ILE D N ? ? 1 +15274 C CA A ILE D 249 0.1604 0.8064 0.8543 0.0432 -0.0672 0.0375 259 ILE D CA ? ? 1 +15275 C CA B ILE D 249 0.1630 0.8090 0.8569 0.0433 -0.0672 0.0374 259 ILE D CA ? ? 1 +15276 C C A ILE D 249 0.1694 0.8046 0.8561 0.0459 -0.0657 0.0392 259 ILE D C ? ? 1 +15277 C C B ILE D 249 0.1727 0.8080 0.8594 0.0461 -0.0658 0.0391 259 ILE D C ? ? 1 +15278 O O A ILE D 249 0.1685 0.8052 0.8591 0.0468 -0.0642 0.0380 259 ILE D O ? ? 1 +15279 O O B ILE D 249 0.1717 0.8084 0.8624 0.0466 -0.0641 0.0380 259 ILE D O ? ? 1 +15280 C CB A ILE D 249 0.1555 0.7999 0.8479 0.0366 -0.0642 0.0389 259 ILE D CB ? ? 1 +15281 C CB B ILE D 249 0.1585 0.8027 0.8508 0.0366 -0.0641 0.0390 259 ILE D CB ? ? 1 +15282 C CG1 A ILE D 249 0.1492 0.7942 0.8455 0.0318 -0.0599 0.0388 259 ILE D CG1 ? ? 1 +15283 C CG1 B ILE D 249 0.1528 0.7973 0.8488 0.0320 -0.0598 0.0389 259 ILE D CG1 ? ? 1 +15284 C CG2 A ILE D 249 0.1497 0.8030 0.8473 0.0347 -0.0662 0.0374 259 ILE D CG2 ? ? 1 +15285 C CG2 B ILE D 249 0.1525 0.8057 0.8503 0.0345 -0.0659 0.0374 259 ILE D CG2 ? ? 1 +15286 C CD1 A ILE D 249 0.1546 0.7890 0.8434 0.0306 -0.0573 0.0412 259 ILE D CD1 ? ? 1 +15287 C CD1 B ILE D 249 0.1581 0.7920 0.8467 0.0304 -0.0570 0.0413 259 ILE D CD1 ? ? 1 +15288 N N A ALA D 250 0.1789 0.8029 0.8546 0.0473 -0.0662 0.0419 260 ALA D N ? ? 1 +15289 N N B ALA D 250 0.1827 0.8069 0.8585 0.0478 -0.0664 0.0418 260 ALA D N ? ? 1 +15290 C CA A ALA D 250 0.1885 0.8005 0.8557 0.0499 -0.0650 0.0438 260 ALA D CA ? ? 1 +15291 C CA B ALA D 250 0.1924 0.8046 0.8597 0.0504 -0.0652 0.0437 260 ALA D CA ? ? 1 +15292 C C A ALA D 250 0.1960 0.7961 0.8518 0.0482 -0.0637 0.0471 260 ALA D C ? ? 1 +15293 C C B ALA D 250 0.2001 0.8004 0.8562 0.0485 -0.0638 0.0470 260 ALA D C ? ? 1 +15294 O O A ALA D 250 0.1953 0.7964 0.8490 0.0470 -0.0649 0.0478 260 ALA D O ? ? 1 +15295 O O B ALA D 250 0.1994 0.8006 0.8533 0.0471 -0.0649 0.0477 260 ALA D O ? ? 1 +15296 C CB A ALA D 250 0.1962 0.8078 0.8621 0.0577 -0.0688 0.0428 260 ALA D CB ? ? 1 +15297 C CB B ALA D 250 0.2000 0.8115 0.8657 0.0583 -0.0691 0.0427 260 ALA D CB ? ? 1 +15298 N N A PHE D 251 0.2036 0.7923 0.8521 0.0480 -0.0611 0.0490 261 PHE D N ? ? 1 +15299 N N B PHE D 251 0.2081 0.7970 0.8569 0.0483 -0.0612 0.0489 261 PHE D N ? ? 1 +15300 C CA A PHE D 251 0.2139 0.7899 0.8507 0.0473 -0.0599 0.0522 261 PHE D CA ? ? 1 +15301 C CA B PHE D 251 0.2187 0.7950 0.8559 0.0475 -0.0599 0.0521 261 PHE D CA ? ? 1 +15302 C C A PHE D 251 0.2270 0.7975 0.8558 0.0542 -0.0639 0.0530 261 PHE D C ? ? 1 +15303 C C B PHE D 251 0.2328 0.8035 0.8619 0.0543 -0.0639 0.0529 261 PHE D C ? ? 1 +15304 O O A PHE D 251 0.2309 0.8030 0.8609 0.0601 -0.0668 0.0517 261 PHE D O ? ? 1 +15305 O O B PHE D 251 0.2366 0.8088 0.8668 0.0602 -0.0668 0.0516 261 PHE D O ? ? 1 +15306 C CB A PHE D 251 0.2189 0.7843 0.8505 0.0452 -0.0560 0.0537 261 PHE D CB ? ? 1 +15307 C CB B PHE D 251 0.2235 0.7891 0.8555 0.0454 -0.0561 0.0536 261 PHE D CB ? ? 1 +15308 C CG A PHE D 251 0.2087 0.7773 0.8458 0.0380 -0.0520 0.0534 261 PHE D CG ? ? 1 +15309 C CG B PHE D 251 0.2132 0.7820 0.8507 0.0382 -0.0521 0.0533 261 PHE D CG ? ? 1 +15310 C CD1 A PHE D 251 0.2072 0.7731 0.8416 0.0327 -0.0495 0.0551 261 PHE D CD1 ? ? 1 +15311 C CD1 B PHE D 251 0.2112 0.7780 0.8464 0.0329 -0.0497 0.0549 261 PHE D CD1 ? ? 1 +15312 C CD2 A PHE D 251 0.2014 0.7758 0.8463 0.0367 -0.0509 0.0514 261 PHE D CD2 ? ? 1 +15313 C CD2 B PHE D 251 0.2065 0.7800 0.8510 0.0370 -0.0507 0.0514 261 PHE D CD2 ? ? 1 +15314 C CE1 A PHE D 251 0.1986 0.7676 0.8382 0.0265 -0.0462 0.0547 261 PHE D CE1 ? ? 1 +15315 C CE1 B PHE D 251 0.2028 0.7726 0.8431 0.0266 -0.0463 0.0545 261 PHE D CE1 ? ? 1 +15316 C CE2 A PHE D 251 0.1932 0.7703 0.8426 0.0305 -0.0476 0.0510 261 PHE D CE2 ? ? 1 +15317 C CE2 B PHE D 251 0.1984 0.7746 0.8474 0.0307 -0.0475 0.0510 261 PHE D CE2 ? ? 1 +15318 C CZ A PHE D 251 0.1919 0.7664 0.8388 0.0255 -0.0454 0.0527 261 PHE D CZ ? ? 1 +15319 C CZ B PHE D 251 0.1968 0.7712 0.8438 0.0256 -0.0454 0.0526 261 PHE D CZ ? ? 1 +15320 N N A SER D 252 0.2339 0.7980 0.8543 0.0536 -0.0640 0.0552 262 SER D N ? ? 1 +15321 N N B SER D 252 0.2407 0.8054 0.8617 0.0536 -0.0641 0.0551 262 SER D N ? ? 1 +15322 C CA A SER D 252 0.2480 0.8038 0.8580 0.0600 -0.0674 0.0566 262 SER D CA ? ? 1 +15323 C CA B SER D 252 0.2559 0.8120 0.8663 0.0598 -0.0672 0.0566 262 SER D CA ? ? 1 +15324 C C A SER D 252 0.2606 0.8005 0.8574 0.0585 -0.0641 0.0602 262 SER D C ? ? 1 +15325 C C B SER D 252 0.2696 0.8097 0.8667 0.0582 -0.0640 0.0601 262 SER D C ? ? 1 +15326 O O A SER D 252 0.2740 0.8033 0.8599 0.0636 -0.0658 0.0619 262 SER D O ? ? 1 +15327 O O B SER D 252 0.2835 0.8130 0.8699 0.0634 -0.0657 0.0618 262 SER D O ? ? 1 +15328 C CB A SER D 252 0.2464 0.8093 0.8577 0.0618 -0.0714 0.0557 262 SER D CB ? ? 1 +15329 C CB B SER D 252 0.2545 0.8175 0.8659 0.0614 -0.0712 0.0557 262 SER D CB ? ? 1 +15330 O OG A SER D 252 0.2441 0.8053 0.8524 0.0565 -0.0690 0.0572 262 SER D OG ? ? 1 +15331 O OG B SER D 252 0.2517 0.8136 0.8609 0.0559 -0.0687 0.0571 262 SER D OG ? ? 1 +15332 N N A ASN D 253 0.2572 0.7954 0.8551 0.0514 -0.0593 0.0612 263 ASN D N ? ? 1 +15333 N N B ASN D 253 0.2679 0.8064 0.8660 0.0511 -0.0592 0.0612 263 ASN D N ? ? 1 +15334 C CA A ASN D 253 0.2686 0.7929 0.8554 0.0487 -0.0555 0.0644 263 ASN D CA ? ? 1 +15335 C CA B ASN D 253 0.2809 0.8054 0.8679 0.0485 -0.0554 0.0644 263 ASN D CA ? ? 1 +15336 C C A ASN D 253 0.2701 0.7891 0.8577 0.0452 -0.0514 0.0647 263 ASN D C ? ? 1 +15337 C C B ASN D 253 0.2834 0.8027 0.8712 0.0449 -0.0513 0.0647 263 ASN D C ? ? 1 +15338 O O A ASN D 253 0.2583 0.7847 0.8549 0.0398 -0.0490 0.0634 263 ASN D O ? ? 1 +15339 O O B ASN D 253 0.2712 0.7977 0.8678 0.0395 -0.0489 0.0634 263 ASN D O ? ? 1 +15340 C CB A ASN D 253 0.2640 0.7898 0.8503 0.0433 -0.0532 0.0655 263 ASN D CB ? ? 1 +15341 C CB B ASN D 253 0.2766 0.8027 0.8630 0.0432 -0.0531 0.0655 263 ASN D CB ? ? 1 +15342 C CG A ASN D 253 0.2749 0.7865 0.8498 0.0407 -0.0490 0.0687 263 ASN D CG ? ? 1 +15343 C CG B ASN D 253 0.2880 0.7997 0.8624 0.0409 -0.0492 0.0688 263 ASN D CG ? ? 1 +15344 O OD1 A ASN D 253 0.2774 0.7825 0.8509 0.0376 -0.0454 0.0695 263 ASN D OD1 ? ? 1 +15345 O OD1 B ASN D 253 0.2908 0.7955 0.8634 0.0376 -0.0454 0.0697 263 ASN D OD1 ? ? 1 +15346 N ND2 A ASN D 253 0.2822 0.7885 0.8485 0.0417 -0.0494 0.0705 263 ASN D ND2 ? ? 1 +15347 N ND2 B ASN D 253 0.2960 0.8023 0.8616 0.0425 -0.0500 0.0705 263 ASN D ND2 ? ? 1 +15348 N N A LYS D 254 0.2863 0.7917 0.8637 0.0482 -0.0507 0.0665 264 LYS D N ? ? 1 +15349 N N B LYS D 254 0.3009 0.8068 0.8786 0.0481 -0.0507 0.0664 264 LYS D N ? ? 1 +15350 C CA A LYS D 254 0.2906 0.7897 0.8676 0.0461 -0.0475 0.0666 264 LYS D CA ? ? 1 +15351 C CA B LYS D 254 0.3066 0.8060 0.8837 0.0459 -0.0474 0.0666 264 LYS D CA ? ? 1 +15352 C C A LYS D 254 0.2895 0.7827 0.8642 0.0385 -0.0422 0.0682 264 LYS D C ? ? 1 +15353 C C B LYS D 254 0.3031 0.7978 0.8789 0.0380 -0.0422 0.0680 264 LYS D C ? ? 1 +15354 O O A LYS D 254 0.2878 0.7789 0.8651 0.0349 -0.0393 0.0677 264 LYS D O ? ? 1 +15355 O O B LYS D 254 0.2990 0.7936 0.8790 0.0341 -0.0395 0.0672 264 LYS D O ? ? 1 +15356 C CB A LYS D 254 0.3100 0.7958 0.8760 0.0524 -0.0488 0.0679 264 LYS D CB ? ? 1 +15357 C CB B LYS D 254 0.3296 0.8149 0.8950 0.0519 -0.0485 0.0681 264 LYS D CB ? ? 1 +15358 C CG A LYS D 254 0.3174 0.7951 0.8817 0.0508 -0.0458 0.0679 264 LYS D CG ? ? 1 +15359 C CG B LYS D 254 0.3392 0.8178 0.9039 0.0511 -0.0461 0.0678 264 LYS D CG ? ? 1 +15360 C CD A LYS D 254 0.3377 0.7995 0.8888 0.0565 -0.0463 0.0698 264 LYS D CD ? ? 1 +15361 C CD B LYS D 254 0.3618 0.8245 0.9133 0.0569 -0.0467 0.0697 264 LYS D CD ? ? 1 +15362 C CE A LYS D 254 0.3431 0.8079 0.8939 0.0654 -0.0517 0.0687 264 LYS D CE ? ? 1 +15363 C CE B LYS D 254 0.3689 0.8348 0.9203 0.0657 -0.0521 0.0685 264 LYS D CE ? ? 1 +15364 N NZ A LYS D 254 0.3626 0.8116 0.9009 0.0711 -0.0521 0.0703 264 LYS D NZ ? ? 1 +15365 N NZ B LYS D 254 0.3907 0.8409 0.9298 0.0715 -0.0525 0.0701 264 LYS D NZ ? ? 1 +15366 N N A ARG D 255 0.2899 0.7807 0.8599 0.0360 -0.0408 0.0700 265 ARG D N ? ? 1 +15367 N N B ARG D 255 0.3029 0.7938 0.8730 0.0357 -0.0407 0.0700 265 ARG D N ? ? 1 +15368 C CA A ARG D 255 0.2871 0.7744 0.8565 0.0286 -0.0358 0.0713 265 ARG D CA ? ? 1 +15369 C CA B ARG D 255 0.2981 0.7860 0.8680 0.0283 -0.0357 0.0712 265 ARG D CA ? ? 1 +15370 C C A ARG D 255 0.2694 0.7713 0.8521 0.0235 -0.0351 0.0691 265 ARG D C ? ? 1 +15371 C C B ARG D 255 0.2800 0.7826 0.8632 0.0232 -0.0351 0.0690 265 ARG D C ? ? 1 +15372 O O A ARG D 255 0.2653 0.7682 0.8528 0.0184 -0.0321 0.0684 265 ARG D O ? ? 1 +15373 O O B ARG D 255 0.2762 0.7800 0.8642 0.0179 -0.0320 0.0684 265 ARG D O ? ? 1 +15374 C CB A ARG D 255 0.2955 0.7747 0.8548 0.0281 -0.0343 0.0740 265 ARG D CB ? ? 1 +15375 C CB B ARG D 255 0.3062 0.7857 0.8658 0.0277 -0.0341 0.0740 265 ARG D CB ? ? 1 +15376 C CG A ARG D 255 0.3140 0.7764 0.8589 0.0321 -0.0338 0.0766 265 ARG D CG ? ? 1 +15377 C CG B ARG D 255 0.3244 0.7872 0.8696 0.0318 -0.0336 0.0765 265 ARG D CG ? ? 1 +15378 C CD A ARG D 255 0.3245 0.7773 0.8582 0.0313 -0.0315 0.0795 265 ARG D CD ? ? 1 +15379 C CD B ARG D 255 0.3353 0.7884 0.8691 0.0314 -0.0317 0.0794 265 ARG D CD ? ? 1 +15380 N NE A ARG D 255 0.3434 0.7787 0.8627 0.0343 -0.0303 0.0820 265 ARG D NE ? ? 1 +15381 N NE B ARG D 255 0.3538 0.7895 0.8733 0.0347 -0.0306 0.0819 265 ARG D NE ? ? 1 +15382 C CZ A ARG D 255 0.3560 0.7786 0.8643 0.0318 -0.0261 0.0849 265 ARG D CZ ? ? 1 +15383 C CZ B ARG D 255 0.3666 0.7892 0.8750 0.0321 -0.0263 0.0848 265 ARG D CZ ? ? 1 +15384 N NH1 A ARG D 255 0.3520 0.7778 0.8620 0.0263 -0.0227 0.0856 265 ARG D NH1 ? ? 1 +15385 N NH1 B ARG D 255 0.3643 0.7892 0.8734 0.0269 -0.0230 0.0857 265 ARG D NH1 ? ? 1 +15386 N NH2 A ARG D 255 0.3733 0.7795 0.8685 0.0347 -0.0250 0.0871 265 ARG D NH2 ? ? 1 +15387 N NH2 B ARG D 255 0.3829 0.7894 0.8789 0.0348 -0.0251 0.0869 265 ARG D NH2 ? ? 1 +15388 N N A TRP D 256 0.2601 0.7729 0.8484 0.0250 -0.0381 0.0678 266 TRP D N ? ? 1 +15389 N N B TRP D 256 0.2699 0.7834 0.8587 0.0249 -0.0382 0.0678 266 TRP D N ? ? 1 +15390 C CA A TRP D 256 0.2434 0.7699 0.8440 0.0210 -0.0380 0.0656 266 TRP D CA ? ? 1 +15391 C CA B TRP D 256 0.2525 0.7797 0.8535 0.0210 -0.0381 0.0655 266 TRP D CA ? ? 1 +15392 C C A TRP D 256 0.2361 0.7672 0.8444 0.0203 -0.0379 0.0635 266 TRP D C ? ? 1 +15393 C C B TRP D 256 0.2438 0.7759 0.8527 0.0203 -0.0381 0.0634 266 TRP D C ? ? 1 +15394 O O A TRP D 256 0.2289 0.7642 0.8434 0.0150 -0.0353 0.0626 266 TRP D O ? ? 1 +15395 O O B TRP D 256 0.2364 0.7736 0.8521 0.0150 -0.0357 0.0624 266 TRP D O ? ? 1 +15396 C CB A TRP D 256 0.2372 0.7738 0.8420 0.0239 -0.0420 0.0644 266 TRP D CB ? ? 1 +15397 C CB B TRP D 256 0.2467 0.7842 0.8521 0.0240 -0.0421 0.0642 266 TRP D CB ? ? 1 +15398 C CG A TRP D 256 0.2219 0.7725 0.8392 0.0208 -0.0424 0.0619 266 TRP D CG ? ? 1 +15399 C CG B TRP D 256 0.2318 0.7830 0.8496 0.0208 -0.0424 0.0618 266 TRP D CG ? ? 1 +15400 C CD1 A TRP D 256 0.2145 0.7754 0.8399 0.0235 -0.0456 0.0594 266 TRP D CD1 ? ? 1 +15401 C CD1 B TRP D 256 0.2247 0.7861 0.8507 0.0233 -0.0455 0.0592 266 TRP D CD1 ? ? 1 +15402 C CD2 A TRP D 256 0.2136 0.7691 0.8363 0.0145 -0.0393 0.0616 266 TRP D CD2 ? ? 1 +15403 C CD2 B TRP D 256 0.2246 0.7806 0.8477 0.0145 -0.0394 0.0615 266 TRP D CD2 ? ? 1 +15404 N NE1 A TRP D 256 0.2018 0.7729 0.8367 0.0191 -0.0445 0.0578 266 TRP D NE1 ? ? 1 +15405 N NE1 B TRP D 256 0.2122 0.7837 0.8477 0.0188 -0.0444 0.0576 266 TRP D NE1 ? ? 1 +15406 C CE2 A TRP D 256 0.2008 0.7688 0.8342 0.0137 -0.0409 0.0591 266 TRP D CE2 ? ? 1 +15407 C CE2 B TRP D 256 0.2116 0.7800 0.8454 0.0136 -0.0408 0.0590 266 TRP D CE2 ? ? 1 +15408 C CE3 A TRP D 256 0.2151 0.7658 0.8350 0.0095 -0.0353 0.0632 266 TRP D CE3 ? ? 1 +15409 C CE3 B TRP D 256 0.2267 0.7779 0.8467 0.0095 -0.0354 0.0632 266 TRP D CE3 ? ? 1 +15410 C CZ2 A TRP D 256 0.1905 0.7655 0.8309 0.0084 -0.0388 0.0582 266 TRP D CZ2 ? ? 1 +15411 C CZ2 B TRP D 256 0.2016 0.7770 0.8423 0.0083 -0.0388 0.0582 266 TRP D CZ2 ? ? 1 +15412 C CZ3 A TRP D 256 0.2044 0.7629 0.8320 0.0043 -0.0334 0.0622 266 TRP D CZ3 ? ? 1 +15413 C CZ3 B TRP D 256 0.2162 0.7751 0.8438 0.0044 -0.0335 0.0622 266 TRP D CZ3 ? ? 1 +15414 C CH2 A TRP D 256 0.1924 0.7626 0.8297 0.0040 -0.0353 0.0598 266 TRP D CH2 ? ? 1 +15415 C CH2 B TRP D 256 0.2040 0.7745 0.8415 0.0040 -0.0353 0.0598 266 TRP D CH2 ? ? 1 +15416 N N A LEU D 257 0.2382 0.7683 0.8457 0.0259 -0.0407 0.0626 267 LEU D N ? ? 1 +15417 N N B LEU D 257 0.2448 0.7752 0.8526 0.0258 -0.0407 0.0626 267 LEU D N ? ? 1 +15418 C CA A LEU D 257 0.2313 0.7658 0.8457 0.0261 -0.0408 0.0605 267 LEU D CA ? ? 1 +15419 C CA B LEU D 257 0.2368 0.7714 0.8513 0.0259 -0.0407 0.0605 267 LEU D CA ? ? 1 +15420 C C A LEU D 257 0.2316 0.7594 0.8447 0.0211 -0.0368 0.0609 267 LEU D C ? ? 1 +15421 C C B LEU D 257 0.2363 0.7642 0.8495 0.0208 -0.0366 0.0610 267 LEU D C ? ? 1 +15422 O O A LEU D 257 0.2223 0.7568 0.8434 0.0177 -0.0356 0.0591 267 LEU D O ? ? 1 +15423 O O B LEU D 257 0.2263 0.7610 0.8474 0.0167 -0.0353 0.0593 267 LEU D O ? ? 1 +15424 C CB A LEU D 257 0.2395 0.7705 0.8505 0.0334 -0.0439 0.0600 267 LEU D CB ? ? 1 +15425 C CB B LEU D 257 0.2448 0.7757 0.8559 0.0332 -0.0438 0.0600 267 LEU D CB ? ? 1 +15426 C CG A LEU D 257 0.2346 0.7709 0.8527 0.0348 -0.0444 0.0575 267 LEU D CG ? ? 1 +15427 C CG B LEU D 257 0.2393 0.7761 0.8578 0.0348 -0.0445 0.0574 267 LEU D CG ? ? 1 +15428 C CD1 A LEU D 257 0.2430 0.7765 0.8578 0.0427 -0.0477 0.0570 267 LEU D CD1 ? ? 1 +15429 C CD1 B LEU D 257 0.2470 0.7820 0.8628 0.0427 -0.0480 0.0568 267 LEU D CD1 ? ? 1 +15430 C CD2 A LEU D 257 0.2364 0.7662 0.8533 0.0306 -0.0408 0.0577 267 LEU D CD2 ? ? 1 +15431 C CD2 B LEU D 257 0.2417 0.7719 0.8589 0.0311 -0.0410 0.0575 267 LEU D CD2 ? ? 1 +15432 N N A HIS D 258 0.2429 0.7573 0.8459 0.0207 -0.0346 0.0632 268 HIS D N ? ? 1 +15433 N N B HIS D 258 0.2474 0.7616 0.8503 0.0209 -0.0347 0.0632 268 HIS D N ? ? 1 +15434 C CA A HIS D 258 0.2451 0.7523 0.8465 0.0162 -0.0310 0.0635 268 HIS D CA ? ? 1 +15435 C CA B HIS D 258 0.2492 0.7562 0.8504 0.0161 -0.0310 0.0635 268 HIS D CA ? ? 1 +15436 C C A HIS D 258 0.2378 0.7486 0.8432 0.0089 -0.0278 0.0638 268 HIS D C ? ? 1 +15437 C C B HIS D 258 0.2418 0.7523 0.8469 0.0089 -0.0278 0.0638 268 HIS D C ? ? 1 +15438 O O A HIS D 258 0.2347 0.7457 0.8437 0.0043 -0.0255 0.0628 268 HIS D O ? ? 1 +15439 O O B HIS D 258 0.2389 0.7494 0.8475 0.0042 -0.0254 0.0629 268 HIS D O ? ? 1 +15440 C CB A HIS D 258 0.2617 0.7523 0.8505 0.0185 -0.0298 0.0657 268 HIS D CB ? ? 1 +15441 C CB B HIS D 258 0.2654 0.7560 0.8542 0.0185 -0.0298 0.0657 268 HIS D CB ? ? 1 +15442 C CG A HIS D 258 0.2676 0.7543 0.8537 0.0250 -0.0323 0.0649 268 HIS D CG ? ? 1 +15443 C CG B HIS D 258 0.2715 0.7583 0.8576 0.0251 -0.0324 0.0649 268 HIS D CG ? ? 1 +15444 N ND1 A HIS D 258 0.2705 0.7586 0.8542 0.0321 -0.0362 0.0650 268 HIS D ND1 ? ? 1 +15445 N ND1 B HIS D 258 0.2748 0.7622 0.8578 0.0321 -0.0362 0.0651 268 HIS D ND1 ? ? 1 +15446 C CD2 A HIS D 258 0.2713 0.7528 0.8568 0.0254 -0.0314 0.0639 268 HIS D CD2 ? ? 1 +15447 C CD2 B HIS D 258 0.2743 0.7569 0.8605 0.0256 -0.0317 0.0637 268 HIS D CD2 ? ? 1 +15448 C CE1 A HIS D 258 0.2762 0.7603 0.8582 0.0367 -0.0376 0.0640 268 HIS D CE1 ? ? 1 +15449 C CE1 B HIS D 258 0.2802 0.7642 0.8620 0.0368 -0.0377 0.0641 268 HIS D CE1 ? ? 1 +15450 N NE2 A HIS D 258 0.2762 0.7560 0.8590 0.0329 -0.0347 0.0634 268 HIS D NE2 ? ? 1 +15451 N NE2 B HIS D 258 0.2793 0.7601 0.8627 0.0332 -0.0350 0.0633 268 HIS D NE2 ? ? 1 +15452 N N A PHE D 259 0.2349 0.7492 0.8400 0.0079 -0.0279 0.0648 269 PHE D N ? ? 1 +15453 N N B PHE D 259 0.2386 0.7527 0.8434 0.0080 -0.0279 0.0648 269 PHE D N ? ? 1 +15454 C CA A PHE D 259 0.2267 0.7463 0.8367 0.0016 -0.0252 0.0647 269 PHE D CA ? ? 1 +15455 C CA B PHE D 259 0.2300 0.7495 0.8399 0.0017 -0.0252 0.0648 269 PHE D CA ? ? 1 +15456 C C A PHE D 259 0.2116 0.7446 0.8334 -0.0004 -0.0263 0.0621 269 PHE D C ? ? 1 +15457 C C B PHE D 259 0.2143 0.7472 0.8360 -0.0003 -0.0263 0.0621 269 PHE D C ? ? 1 +15458 O O A PHE D 259 0.2055 0.7418 0.8324 -0.0056 -0.0241 0.0613 269 PHE D O ? ? 1 +15459 O O B PHE D 259 0.2082 0.7444 0.8349 -0.0055 -0.0241 0.0613 269 PHE D O ? ? 1 +15460 C CB A PHE D 259 0.2276 0.7480 0.8344 0.0014 -0.0250 0.0663 269 PHE D CB ? ? 1 +15461 C CB B PHE D 259 0.2309 0.7515 0.8378 0.0015 -0.0250 0.0663 269 PHE D CB ? ? 1 +15462 C CG A PHE D 259 0.2185 0.7456 0.8315 -0.0047 -0.0224 0.0660 269 PHE D CG ? ? 1 +15463 C CG B PHE D 259 0.2222 0.7496 0.8354 -0.0046 -0.0225 0.0659 269 PHE D CG ? ? 1 +15464 C CD1 A PHE D 259 0.2226 0.7438 0.8334 -0.0099 -0.0182 0.0670 269 PHE D CD1 ? ? 1 +15465 C CD1 B PHE D 259 0.2264 0.7479 0.8374 -0.0098 -0.0183 0.0669 269 PHE D CD1 ? ? 1 +15466 C CD2 A PHE D 259 0.2059 0.7455 0.8272 -0.0052 -0.0241 0.0644 269 PHE D CD2 ? ? 1 +15467 C CD2 B PHE D 259 0.2098 0.7497 0.8315 -0.0052 -0.0242 0.0643 269 PHE D CD2 ? ? 1 +15468 C CE1 A PHE D 259 0.2145 0.7426 0.8316 -0.0151 -0.0160 0.0665 269 PHE D CE1 ? ? 1 +15469 C CE1 B PHE D 259 0.2184 0.7468 0.8359 -0.0151 -0.0161 0.0663 269 PHE D CE1 ? ? 1 +15470 C CE2 A PHE D 259 0.1987 0.7442 0.8255 -0.0103 -0.0219 0.0640 269 PHE D CE2 ? ? 1 +15471 C CE2 B PHE D 259 0.2028 0.7488 0.8302 -0.0103 -0.0220 0.0639 269 PHE D CE2 ? ? 1 +15472 C CZ A PHE D 259 0.2026 0.7426 0.8274 -0.0151 -0.0179 0.0650 269 PHE D CZ ? ? 1 +15473 C CZ B PHE D 259 0.2065 0.7470 0.8319 -0.0151 -0.0180 0.0648 269 PHE D CZ ? ? 1 +15474 N N A PHE D 260 0.2059 0.7467 0.8318 0.0039 -0.0298 0.0608 270 PHE D N ? ? 1 +15475 N N B PHE D 260 0.2081 0.7489 0.8340 0.0040 -0.0299 0.0608 270 PHE D N ? ? 1 +15476 C CA A PHE D 260 0.1923 0.7455 0.8287 0.0025 -0.0309 0.0584 270 PHE D CA ? ? 1 +15477 C CA B PHE D 260 0.1943 0.7473 0.8306 0.0026 -0.0309 0.0584 270 PHE D CA ? ? 1 +15478 C C A PHE D 260 0.1894 0.7423 0.8293 0.0006 -0.0297 0.0569 270 PHE D C ? ? 1 +15479 C C B PHE D 260 0.1913 0.7437 0.8310 0.0008 -0.0298 0.0569 270 PHE D C ? ? 1 +15480 O O A PHE D 260 0.1795 0.7397 0.8266 -0.0030 -0.0290 0.0554 270 PHE D O ? ? 1 +15481 O O B PHE D 260 0.1812 0.7407 0.8279 -0.0029 -0.0289 0.0554 270 PHE D O ? ? 1 +15482 C CB A PHE D 260 0.1896 0.7500 0.8291 0.0077 -0.0347 0.0572 270 PHE D CB ? ? 1 +15483 C CB B PHE D 260 0.1918 0.7521 0.8313 0.0078 -0.0347 0.0571 270 PHE D CB ? ? 1 +15484 C CG A PHE D 260 0.1766 0.7499 0.8263 0.0061 -0.0357 0.0549 270 PHE D CG ? ? 1 +15485 C CG B PHE D 260 0.1789 0.7519 0.8285 0.0062 -0.0357 0.0549 270 PHE D CG ? ? 1 +15486 C CD1 A PHE D 260 0.1693 0.7487 0.8228 0.0024 -0.0349 0.0549 270 PHE D CD1 ? ? 1 +15487 C CD1 B PHE D 260 0.1715 0.7508 0.8250 0.0026 -0.0350 0.0549 270 PHE D CD1 ? ? 1 +15488 C CD2 A PHE D 260 0.1729 0.7516 0.8281 0.0085 -0.0372 0.0528 270 PHE D CD2 ? ? 1 +15489 C CD2 B PHE D 260 0.1751 0.7537 0.8302 0.0086 -0.0372 0.0528 270 PHE D CD2 ? ? 1 +15490 C CE1 A PHE D 260 0.1585 0.7487 0.8205 0.0011 -0.0357 0.0530 270 PHE D CE1 ? ? 1 +15491 C CE1 B PHE D 260 0.1608 0.7509 0.8228 0.0012 -0.0357 0.0529 270 PHE D CE1 ? ? 1 +15492 C CE2 A PHE D 260 0.1617 0.7515 0.8256 0.0069 -0.0377 0.0509 270 PHE D CE2 ? ? 1 +15493 C CE2 B PHE D 260 0.1637 0.7534 0.8277 0.0070 -0.0377 0.0508 270 PHE D CE2 ? ? 1 +15494 C CZ A PHE D 260 0.1548 0.7500 0.8219 0.0032 -0.0370 0.0510 270 PHE D CZ ? ? 1 +15495 C CZ B PHE D 260 0.1570 0.7520 0.8241 0.0033 -0.0370 0.0510 270 PHE D CZ ? ? 1 +15496 N N A MET D 261 0.1989 0.7425 0.8329 0.0033 -0.0296 0.0573 271 MET D N ? ? 1 +15497 N N B MET D 261 0.2007 0.7441 0.8346 0.0037 -0.0298 0.0572 271 MET D N ? ? 1 +15498 C CA A MET D 261 0.1988 0.7404 0.8347 0.0020 -0.0286 0.0558 271 MET D CA ? ? 1 +15499 C CA B MET D 261 0.2011 0.7419 0.8365 0.0023 -0.0287 0.0559 271 MET D CA ? ? 1 +15500 C C A MET D 261 0.1973 0.7356 0.8334 -0.0045 -0.0254 0.0561 271 MET D C ? ? 1 +15501 C C B MET D 261 0.1994 0.7368 0.8348 -0.0042 -0.0254 0.0562 271 MET D C ? ? 1 +15502 O O A MET D 261 0.1911 0.7331 0.8324 -0.0074 -0.0247 0.0543 271 MET D O ? ? 1 +15503 O O B MET D 261 0.1937 0.7339 0.8338 -0.0070 -0.0246 0.0544 271 MET D O ? ? 1 +15504 C CB A MET D 261 0.2116 0.7430 0.8401 0.0068 -0.0293 0.0564 271 MET D CB ? ? 1 +15505 C CB B MET D 261 0.2144 0.7449 0.8422 0.0072 -0.0294 0.0564 271 MET D CB ? ? 1 +15506 C CG A MET D 261 0.2109 0.7476 0.8418 0.0131 -0.0327 0.0552 271 MET D CG ? ? 1 +15507 C CG B MET D 261 0.2139 0.7499 0.8443 0.0135 -0.0327 0.0552 271 MET D CG ? ? 1 +15508 S SD A MET D 261 0.2272 0.7519 0.8492 0.0195 -0.0337 0.0558 271 MET D SD ? ? 1 +15509 S SD B MET D 261 0.2307 0.7550 0.8527 0.0198 -0.0337 0.0556 271 MET D SD ? ? 1 +15510 C CE A MET D 261 0.2262 0.7490 0.8510 0.0170 -0.0318 0.0538 271 MET D CE ? ? 1 +15511 C CE B MET D 261 0.2288 0.7519 0.8541 0.0171 -0.0318 0.0535 271 MET D CE ? ? 1 +15512 N N A LEU D 262 0.2028 0.7344 0.8332 -0.0066 -0.0234 0.0582 272 LEU D N ? ? 1 +15513 N N B LEU D 262 0.2042 0.7355 0.8343 -0.0065 -0.0234 0.0583 272 LEU D N ? ? 1 +15514 C CA A LEU D 262 0.2012 0.7313 0.8328 -0.0130 -0.0202 0.0584 272 LEU D CA ? ? 1 +15515 C CA B LEU D 262 0.2025 0.7325 0.8340 -0.0129 -0.0203 0.0585 272 LEU D CA ? ? 1 +15516 C C A LEU D 262 0.1865 0.7291 0.8272 -0.0162 -0.0205 0.0571 272 LEU D C ? ? 1 +15517 C C B LEU D 262 0.1876 0.7300 0.8282 -0.0161 -0.0205 0.0571 272 LEU D C ? ? 1 +15518 O O A LEU D 262 0.1812 0.7275 0.8272 -0.0201 -0.0196 0.0556 272 LEU D O ? ? 1 +15519 O O B LEU D 262 0.1823 0.7284 0.8282 -0.0199 -0.0196 0.0556 272 LEU D O ? ? 1 +15520 C CB A LEU D 262 0.2116 0.7326 0.8352 -0.0142 -0.0179 0.0611 272 LEU D CB ? ? 1 +15521 C CB B LEU D 262 0.2130 0.7338 0.8364 -0.0142 -0.0179 0.0611 272 LEU D CB ? ? 1 +15522 C CG A LEU D 262 0.2134 0.7321 0.8378 -0.0209 -0.0141 0.0614 272 LEU D CG ? ? 1 +15523 C CG B LEU D 262 0.2148 0.7334 0.8391 -0.0209 -0.0141 0.0614 272 LEU D CG ? ? 1 +15524 C CD1 A LEU D 262 0.2259 0.7336 0.8409 -0.0215 -0.0115 0.0641 272 LEU D CD1 ? ? 1 +15525 C CD1 B LEU D 262 0.2276 0.7351 0.8426 -0.0216 -0.0115 0.0641 272 LEU D CD1 ? ? 1 +15526 C CD2 A LEU D 262 0.2013 0.7318 0.8342 -0.0244 -0.0139 0.0605 272 LEU D CD2 ? ? 1 +15527 C CD2 B LEU D 262 0.2030 0.7334 0.8357 -0.0243 -0.0139 0.0606 272 LEU D CD2 ? ? 1 +15528 N N A PHE D 263 0.1801 0.7288 0.8222 -0.0143 -0.0219 0.0577 273 PHE D N ? ? 1 +15529 N N B PHE D 263 0.1811 0.7297 0.8232 -0.0143 -0.0219 0.0577 273 PHE D N ? ? 1 +15530 C CA A PHE D 263 0.1677 0.7269 0.8171 -0.0171 -0.0220 0.0568 273 PHE D CA ? ? 1 +15531 C CA B PHE D 263 0.1688 0.7279 0.8182 -0.0171 -0.0220 0.0568 273 PHE D CA ? ? 1 +15532 C C A PHE D 263 0.1561 0.7243 0.8137 -0.0179 -0.0232 0.0544 273 PHE D C ? ? 1 +15533 C C B PHE D 263 0.1567 0.7248 0.8143 -0.0179 -0.0232 0.0544 273 PHE D C ? ? 1 +15534 O O A PHE D 263 0.1496 0.7230 0.8124 -0.0219 -0.0222 0.0534 273 PHE D O ? ? 1 +15535 O O B PHE D 263 0.1501 0.7234 0.8128 -0.0219 -0.0222 0.0535 273 PHE D O ? ? 1 +15536 C CB A PHE D 263 0.1661 0.7295 0.8148 -0.0140 -0.0238 0.0576 273 PHE D CB ? ? 1 +15537 C CB B PHE D 263 0.1678 0.7311 0.8165 -0.0140 -0.0238 0.0576 273 PHE D CB ? ? 1 +15538 C CG A PHE D 263 0.1564 0.7297 0.8117 -0.0165 -0.0239 0.0569 273 PHE D CG ? ? 1 +15539 C CG B PHE D 263 0.1589 0.7321 0.8142 -0.0166 -0.0238 0.0568 273 PHE D CG ? ? 1 +15540 C CD1 A PHE D 263 0.1566 0.7295 0.8116 -0.0205 -0.0214 0.0578 273 PHE D CD1 ? ? 1 +15541 C CD1 B PHE D 263 0.1594 0.7325 0.8148 -0.0207 -0.0213 0.0577 273 PHE D CD1 ? ? 1 +15542 C CD2 A PHE D 263 0.1476 0.7303 0.8092 -0.0151 -0.0262 0.0552 273 PHE D CD2 ? ? 1 +15543 C CD2 B PHE D 263 0.1508 0.7334 0.8123 -0.0150 -0.0262 0.0552 273 PHE D CD2 ? ? 1 +15544 C CE1 A PHE D 263 0.1475 0.7291 0.8082 -0.0225 -0.0214 0.0571 273 PHE D CE1 ? ? 1 +15545 C CE1 B PHE D 263 0.1503 0.7323 0.8115 -0.0227 -0.0214 0.0569 273 PHE D CE1 ? ? 1 +15546 C CE2 A PHE D 263 0.1390 0.7298 0.8059 -0.0174 -0.0261 0.0545 273 PHE D CE2 ? ? 1 +15547 C CE2 B PHE D 263 0.1425 0.7334 0.8095 -0.0173 -0.0262 0.0545 273 PHE D CE2 ? ? 1 +15548 C CZ A PHE D 263 0.1389 0.7291 0.8052 -0.0209 -0.0238 0.0555 273 PHE D CZ ? ? 1 +15549 C CZ B PHE D 263 0.1421 0.7325 0.8088 -0.0210 -0.0239 0.0554 273 PHE D CZ ? ? 1 +15550 N N A VAL D 264 0.1538 0.7237 0.8124 -0.0138 -0.0254 0.0532 274 VAL D N ? ? 1 +15551 N N B VAL D 264 0.1536 0.7236 0.8123 -0.0138 -0.0254 0.0532 274 VAL D N ? ? 1 +15552 C CA A VAL D 264 0.1427 0.7217 0.8087 -0.0141 -0.0265 0.0511 274 VAL D CA ? ? 1 +15553 C CA B VAL D 264 0.1420 0.7210 0.8081 -0.0141 -0.0265 0.0510 274 VAL D CA ? ? 1 +15554 C C A VAL D 264 0.1395 0.7183 0.8083 -0.0181 -0.0251 0.0497 274 VAL D C ? ? 1 +15555 C C B VAL D 264 0.1387 0.7173 0.8074 -0.0181 -0.0250 0.0497 274 VAL D C ? ? 1 +15556 O O A VAL D 264 0.1308 0.7165 0.8050 -0.0211 -0.0248 0.0488 274 VAL D O ? ? 1 +15557 O O B VAL D 264 0.1300 0.7151 0.8039 -0.0212 -0.0247 0.0488 274 VAL D O ? ? 1 +15558 C CB A VAL D 264 0.1427 0.7234 0.8092 -0.0090 -0.0288 0.0500 274 VAL D CB ? ? 1 +15559 C CB B VAL D 264 0.1416 0.7226 0.8084 -0.0090 -0.0288 0.0500 274 VAL D CB ? ? 1 +15560 C CG1 A VAL D 264 0.1344 0.7224 0.8076 -0.0096 -0.0292 0.0478 274 VAL D CG1 ? ? 1 +15561 C CG1 B VAL D 264 0.1332 0.7214 0.8065 -0.0096 -0.0292 0.0477 274 VAL D CG1 ? ? 1 +15562 C CG2 A VAL D 264 0.1420 0.7263 0.8082 -0.0054 -0.0308 0.0507 274 VAL D CG2 ? ? 1 +15563 C CG2 B VAL D 264 0.1403 0.7255 0.8072 -0.0056 -0.0308 0.0506 274 VAL D CG2 ? ? 1 +15564 N N A PRO D 265 0.1462 0.7172 0.8112 -0.0179 -0.0243 0.0495 275 PRO D N ? ? 1 +15565 N N B PRO D 265 0.1454 0.7162 0.8104 -0.0179 -0.0243 0.0495 275 PRO D N ? ? 1 +15566 C CA A PRO D 265 0.1451 0.7157 0.8124 -0.0215 -0.0233 0.0479 275 PRO D CA ? ? 1 +15567 C CA B PRO D 265 0.1444 0.7146 0.8116 -0.0216 -0.0233 0.0479 275 PRO D CA ? ? 1 +15568 C C A PRO D 265 0.1452 0.7148 0.8133 -0.0269 -0.0213 0.0484 275 PRO D C ? ? 1 +15569 C C B PRO D 265 0.1443 0.7138 0.8124 -0.0270 -0.0213 0.0484 275 PRO D C ? ? 1 +15570 O O A PRO D 265 0.1394 0.7131 0.8119 -0.0302 -0.0211 0.0469 275 PRO D O ? ? 1 +15571 O O B PRO D 265 0.1381 0.7118 0.8106 -0.0303 -0.0211 0.0469 275 PRO D O ? ? 1 +15572 C CB A PRO D 265 0.1545 0.7159 0.8166 -0.0194 -0.0231 0.0477 275 PRO D CB ? ? 1 +15573 C CB B PRO D 265 0.1539 0.7147 0.8156 -0.0195 -0.0231 0.0477 275 PRO D CB ? ? 1 +15574 C CG A PRO D 265 0.1629 0.7173 0.8184 -0.0162 -0.0232 0.0498 275 PRO D CG ? ? 1 +15575 C CG B PRO D 265 0.1622 0.7163 0.8175 -0.0160 -0.0232 0.0498 275 PRO D CG ? ? 1 +15576 C CD A PRO D 265 0.1567 0.7186 0.8148 -0.0141 -0.0246 0.0505 275 PRO D CD ? ? 1 +15577 C CD B PRO D 265 0.1560 0.7178 0.8140 -0.0140 -0.0247 0.0505 275 PRO D CD ? ? 1 +15578 N N A VAL D 266 0.1516 0.7158 0.8153 -0.0277 -0.0199 0.0504 276 VAL D N ? ? 1 +15579 N N B VAL D 266 0.1510 0.7151 0.8147 -0.0277 -0.0199 0.0504 276 VAL D N ? ? 1 +15580 C CA A VAL D 266 0.1528 0.7165 0.8176 -0.0328 -0.0177 0.0508 276 VAL D CA ? ? 1 +15581 C CA B VAL D 266 0.1523 0.7160 0.8171 -0.0328 -0.0176 0.0508 276 VAL D CA ? ? 1 +15582 C C A VAL D 266 0.1425 0.7169 0.8141 -0.0346 -0.0181 0.0501 276 VAL D C ? ? 1 +15583 C C B VAL D 266 0.1422 0.7166 0.8138 -0.0346 -0.0181 0.0501 276 VAL D C ? ? 1 +15584 O O A VAL D 266 0.1394 0.7172 0.8154 -0.0386 -0.0173 0.0490 276 VAL D O ? ? 1 +15585 O O B VAL D 266 0.1392 0.7172 0.8152 -0.0385 -0.0174 0.0490 276 VAL D O ? ? 1 +15586 C CB A VAL D 266 0.1619 0.7175 0.8201 -0.0331 -0.0156 0.0532 276 VAL D CB ? ? 1 +15587 C CB B VAL D 266 0.1616 0.7172 0.8197 -0.0331 -0.0156 0.0532 276 VAL D CB ? ? 1 +15588 C CG1 A VAL D 266 0.1604 0.7182 0.8213 -0.0382 -0.0131 0.0536 276 VAL D CG1 ? ? 1 +15589 C CG1 B VAL D 266 0.1606 0.7180 0.8212 -0.0382 -0.0131 0.0536 276 VAL D CG1 ? ? 1 +15590 C CG2 A VAL D 266 0.1739 0.7176 0.8251 -0.0324 -0.0146 0.0538 276 VAL D CG2 ? ? 1 +15591 C CG2 B VAL D 266 0.1735 0.7173 0.8246 -0.0323 -0.0147 0.0538 276 VAL D CG2 ? ? 1 +15592 N N A THR D 267 0.1379 0.7173 0.8103 -0.0315 -0.0196 0.0507 277 THR D N ? ? 1 +15593 N N B THR D 267 0.1376 0.7171 0.8100 -0.0315 -0.0196 0.0508 277 THR D N ? ? 1 +15594 C CA A THR D 267 0.1286 0.7173 0.8066 -0.0328 -0.0200 0.0503 277 THR D CA ? ? 1 +15595 C CA B THR D 267 0.1282 0.7170 0.8063 -0.0327 -0.0200 0.0503 277 THR D CA ? ? 1 +15596 C C A THR D 267 0.1213 0.7165 0.8050 -0.0335 -0.0213 0.0480 277 THR D C ? ? 1 +15597 C C B THR D 267 0.1210 0.7162 0.8047 -0.0335 -0.0213 0.0480 277 THR D C ? ? 1 +15598 O O A THR D 267 0.1163 0.7168 0.8045 -0.0364 -0.0210 0.0472 277 THR D O ? ? 1 +15599 O O B THR D 267 0.1163 0.7168 0.8045 -0.0364 -0.0210 0.0472 277 THR D O ? ? 1 +15600 C CB A THR D 267 0.1269 0.7184 0.8037 -0.0293 -0.0213 0.0513 277 THR D CB ? ? 1 +15601 C CB B THR D 267 0.1264 0.7181 0.8034 -0.0292 -0.0214 0.0513 277 THR D CB ? ? 1 +15602 O OG1 A THR D 267 0.1350 0.7197 0.8058 -0.0290 -0.0199 0.0534 277 THR D OG1 ? ? 1 +15603 O OG1 B THR D 267 0.1346 0.7197 0.8056 -0.0288 -0.0200 0.0534 277 THR D OG1 ? ? 1 +15604 C CG2 A THR D 267 0.1179 0.7184 0.8001 -0.0304 -0.0219 0.0507 277 THR D CG2 ? ? 1 +15605 C CG2 B THR D 267 0.1175 0.7183 0.7998 -0.0303 -0.0219 0.0507 277 THR D CG2 ? ? 1 +15606 N N A GLY D 268 0.1218 0.7161 0.8049 -0.0306 -0.0227 0.0471 278 GLY D N ? ? 1 +15607 N N B GLY D 268 0.1215 0.7159 0.8046 -0.0306 -0.0227 0.0471 278 GLY D N ? ? 1 +15608 C CA A GLY D 268 0.1159 0.7151 0.8032 -0.0310 -0.0237 0.0451 278 GLY D CA ? ? 1 +15609 C CA B GLY D 268 0.1156 0.7148 0.8029 -0.0310 -0.0237 0.0451 278 GLY D CA ? ? 1 +15610 C C A GLY D 268 0.1158 0.7143 0.8049 -0.0351 -0.0229 0.0438 278 GLY D C ? ? 1 +15611 C C B GLY D 268 0.1156 0.7140 0.8047 -0.0351 -0.0229 0.0438 278 GLY D C ? ? 1 +15612 O O A GLY D 268 0.1091 0.7136 0.8025 -0.0368 -0.0234 0.0426 278 GLY D O ? ? 1 +15613 O O B GLY D 268 0.1087 0.7132 0.8021 -0.0368 -0.0234 0.0426 278 GLY D O ? ? 1 +15614 N N . LEU D 269 0.1238 0.7145 0.8093 -0.0365 -0.0217 0.0440 279 LEU D N ? ? 1 +15615 C CA . LEU D 269 0.1257 0.7152 0.8129 -0.0407 -0.0210 0.0427 279 LEU D CA ? ? 1 +15616 C CB . LEU D 269 0.1360 0.7155 0.8182 -0.0419 -0.0197 0.0429 279 LEU D CB ? ? 1 +15617 C CG . LEU D 269 0.1399 0.7154 0.8203 -0.0410 -0.0205 0.0412 279 LEU D CG ? ? 1 +15618 C CD1 . LEU D 269 0.1390 0.7149 0.8177 -0.0358 -0.0218 0.0413 279 LEU D CD1 ? ? 1 +15619 C CD2 . LEU D 269 0.1507 0.7161 0.8263 -0.0430 -0.0191 0.0413 279 LEU D CD2 ? ? 1 +15620 C C . LEU D 269 0.1211 0.7159 0.8124 -0.0442 -0.0202 0.0428 279 LEU D C ? ? 1 +15621 O O . LEU D 269 0.1173 0.7167 0.8128 -0.0465 -0.0209 0.0412 279 LEU D O ? ? 1 +15622 N N . TRP D 270 0.1231 0.7171 0.8129 -0.0442 -0.0189 0.0447 280 TRP D N ? ? 1 +15623 C CA . TRP D 270 0.1200 0.7193 0.8137 -0.0470 -0.0178 0.0450 280 TRP D CA ? ? 1 +15624 C CB . TRP D 270 0.1225 0.7190 0.8128 -0.0464 -0.0161 0.0473 280 TRP D CB ? ? 1 +15625 C CG . TRP D 270 0.1301 0.7196 0.8175 -0.0496 -0.0134 0.0481 280 TRP D CG ? ? 1 +15626 C CD1 . TRP D 270 0.1395 0.7192 0.8203 -0.0488 -0.0123 0.0493 280 TRP D CD1 ? ? 1 +15627 N NE1 . TRP D 270 0.1451 0.7202 0.8250 -0.0529 -0.0094 0.0498 280 TRP D NE1 ? ? 1 +15628 C CE2 . TRP D 270 0.1393 0.7220 0.8258 -0.0563 -0.0087 0.0487 280 TRP D CE2 ? ? 1 +15629 C CZ2 . TRP D 270 0.1422 0.7247 0.8311 -0.0611 -0.0059 0.0484 280 TRP D CZ2 ? ? 1 +15630 C CH2 . TRP D 270 0.1344 0.7265 0.8309 -0.0633 -0.0061 0.0471 280 TRP D CH2 ? ? 1 +15631 C CZ3 . TRP D 270 0.1247 0.7253 0.8252 -0.0608 -0.0089 0.0462 280 TRP D CZ3 ? ? 1 +15632 C CE3 . TRP D 270 0.1223 0.7225 0.8201 -0.0564 -0.0114 0.0465 280 TRP D CE3 ? ? 1 +15633 C CD2 . TRP D 270 0.1295 0.7211 0.8205 -0.0541 -0.0113 0.0477 280 TRP D CD2 ? ? 1 +15634 C C . TRP D 270 0.1123 0.7208 0.8112 -0.0464 -0.0195 0.0439 280 TRP D C ? ? 1 +15635 O O . TRP D 270 0.1080 0.7213 0.8114 -0.0492 -0.0193 0.0429 280 TRP D O ? ? 1 +15636 N N . MET D 271 0.1100 0.7208 0.8082 -0.0428 -0.0211 0.0441 281 MET D N ? ? 1 +15637 C CA . MET D 271 0.1038 0.7225 0.8062 -0.0421 -0.0224 0.0433 281 MET D CA ? ? 1 +15638 C CB . MET D 271 0.1046 0.7249 0.8057 -0.0383 -0.0236 0.0438 281 MET D CB ? ? 1 +15639 C CG . MET D 271 0.1087 0.7287 0.8078 -0.0369 -0.0230 0.0457 281 MET D CG ? ? 1 +15640 S SD . MET D 271 0.1108 0.7361 0.8129 -0.0391 -0.0221 0.0462 281 MET D SD ? ? 1 +15641 C CE . MET D 271 0.1185 0.7376 0.8177 -0.0418 -0.0195 0.0475 281 MET D CE ? ? 1 +15642 C C . MET D 271 0.1002 0.7211 0.8053 -0.0433 -0.0236 0.0412 281 MET D C ? ? 1 +15643 O O . MET D 271 0.0959 0.7225 0.8046 -0.0445 -0.0242 0.0403 281 MET D O ? ? 1 +15644 N N . SER D 272 0.1033 0.7194 0.8060 -0.0429 -0.0239 0.0403 282 SER D N ? ? 1 +15645 C CA . SER D 272 0.1017 0.7191 0.8060 -0.0439 -0.0250 0.0382 282 SER D CA ? ? 1 +15646 C CB . SER D 272 0.1061 0.7176 0.8069 -0.0425 -0.0253 0.0375 282 SER D CB ? ? 1 +15647 O OG . SER D 272 0.1127 0.7170 0.8104 -0.0439 -0.0241 0.0379 282 SER D OG ? ? 1 +15648 C C . SER D 272 0.1033 0.7219 0.8105 -0.0479 -0.0248 0.0372 282 SER D C ? ? 1 +15649 O O . SER D 272 0.0990 0.7220 0.8092 -0.0488 -0.0261 0.0357 282 SER D O ? ? 1 +15650 N N . ALA D 273 0.1095 0.7240 0.8158 -0.0501 -0.0231 0.0380 283 ALA D N ? ? 1 +15651 C CA . ALA D 273 0.1111 0.7272 0.8209 -0.0542 -0.0225 0.0370 283 ALA D CA ? ? 1 +15652 C CB . ALA D 273 0.1172 0.7277 0.8249 -0.0564 -0.0200 0.0383 283 ALA D CB ? ? 1 +15653 C C . ALA D 273 0.1053 0.7298 0.8201 -0.0548 -0.0230 0.0368 283 ALA D C ? ? 1 +15654 O O . ALA D 273 0.1054 0.7339 0.8241 -0.0567 -0.0241 0.0350 283 ALA D O ? ? 1 +15655 N N . ILE D 274 0.1022 0.7292 0.8166 -0.0528 -0.0224 0.0385 284 ILE D N ? ? 1 +15656 C CA . ILE D 274 0.0962 0.7303 0.8147 -0.0530 -0.0227 0.0384 284 ILE D CA ? ? 1 +15657 C CB . ILE D 274 0.0968 0.7315 0.8135 -0.0509 -0.0217 0.0405 284 ILE D CB ? ? 1 +15658 C CG1 . ILE D 274 0.1039 0.7340 0.8184 -0.0524 -0.0191 0.0420 284 ILE D CG1 ? ? 1 +15659 C CG2 . ILE D 274 0.0917 0.7335 0.8119 -0.0504 -0.0222 0.0403 284 ILE D CG2 ? ? 1 +15660 C CD1 . ILE D 274 0.1046 0.7347 0.8167 -0.0504 -0.0182 0.0440 284 ILE D CD1 ? ? 1 +15661 C C . ILE D 274 0.0891 0.7280 0.8097 -0.0519 -0.0251 0.0368 284 ILE D C ? ? 1 +15662 O O . ILE D 274 0.0857 0.7298 0.8103 -0.0531 -0.0259 0.0356 284 ILE D O ? ? 1 +15663 N N . GLY D 275 0.0855 0.7226 0.8033 -0.0493 -0.0262 0.0367 285 GLY D N ? ? 1 +15664 C CA . GLY D 275 0.0802 0.7203 0.7987 -0.0482 -0.0281 0.0352 285 GLY D CA ? ? 1 +15665 C C . GLY D 275 0.0800 0.7205 0.8003 -0.0503 -0.0294 0.0331 285 GLY D C ? ? 1 +15666 O O . GLY D 275 0.0764 0.7213 0.7988 -0.0503 -0.0310 0.0320 285 GLY D O ? ? 1 +15667 N N . VAL D 276 0.0838 0.7193 0.8027 -0.0521 -0.0290 0.0325 286 VAL D N ? ? 1 +15668 C CA . VAL D 276 0.0860 0.7213 0.8064 -0.0544 -0.0304 0.0302 286 VAL D CA ? ? 1 +15669 C CB . VAL D 276 0.0926 0.7204 0.8098 -0.0556 -0.0297 0.0298 286 VAL D CB ? ? 1 +15670 C CG1 . VAL D 276 0.0959 0.7233 0.8150 -0.0588 -0.0310 0.0272 286 VAL D CG1 ? ? 1 +15671 C CG2 . VAL D 276 0.0936 0.7172 0.8060 -0.0525 -0.0300 0.0300 286 VAL D CG2 ? ? 1 +15672 C C . VAL D 276 0.0834 0.7238 0.8093 -0.0573 -0.0304 0.0294 286 VAL D C ? ? 1 +15673 O O . VAL D 276 0.0840 0.7271 0.8123 -0.0585 -0.0324 0.0272 286 VAL D O ? ? 1 +15674 N N . VAL D 277 0.0818 0.7235 0.8095 -0.0583 -0.0283 0.0309 287 VAL D N ? ? 1 +15675 C CA . VAL D 277 0.0795 0.7272 0.8129 -0.0605 -0.0280 0.0302 287 VAL D CA ? ? 1 +15676 C CB . VAL D 277 0.0803 0.7277 0.8142 -0.0615 -0.0250 0.0322 287 VAL D CB ? ? 1 +15677 C CG1 . VAL D 277 0.0778 0.7322 0.8179 -0.0633 -0.0244 0.0315 287 VAL D CG1 ? ? 1 +15678 C CG2 . VAL D 277 0.0872 0.7276 0.8186 -0.0638 -0.0228 0.0328 287 VAL D CG2 ? ? 1 +15679 C C . VAL D 277 0.0731 0.7273 0.8087 -0.0584 -0.0302 0.0295 287 VAL D C ? ? 1 +15680 O O . VAL D 277 0.0708 0.7301 0.8109 -0.0596 -0.0316 0.0278 287 VAL D O ? ? 1 +15681 N N . GLY D 278 0.0689 0.7226 0.8012 -0.0552 -0.0304 0.0309 288 GLY D N ? ? 1 +15682 C CA . GLY D 278 0.0641 0.7224 0.7971 -0.0530 -0.0322 0.0305 288 GLY D CA ? ? 1 +15683 C C . GLY D 278 0.0659 0.7245 0.7985 -0.0527 -0.0349 0.0283 288 GLY D C ? ? 1 +15684 O O . GLY D 278 0.0649 0.7280 0.7998 -0.0522 -0.0368 0.0271 288 GLY D O ? ? 1 +15685 N N . LEU D 279 0.0704 0.7236 0.7994 -0.0528 -0.0353 0.0277 289 LEU D N ? ? 1 +15686 C CA . LEU D 279 0.0730 0.7255 0.8004 -0.0524 -0.0378 0.0256 289 LEU D CA ? ? 1 +15687 C CB . LEU D 279 0.0766 0.7225 0.7988 -0.0515 -0.0374 0.0256 289 LEU D CB ? ? 1 +15688 C CG . LEU D 279 0.0748 0.7192 0.7937 -0.0486 -0.0361 0.0275 289 LEU D CG ? ? 1 +15689 C CD1 . LEU D 279 0.0789 0.7174 0.7930 -0.0475 -0.0358 0.0272 289 LEU D CD1 ? ? 1 +15690 C CD2 . LEU D 279 0.0711 0.7193 0.7898 -0.0465 -0.0371 0.0277 289 LEU D CD2 ? ? 1 +15691 C C . LEU D 279 0.0763 0.7312 0.8078 -0.0552 -0.0394 0.0233 289 LEU D C ? ? 1 +15692 O O . LEU D 279 0.0775 0.7337 0.8087 -0.0547 -0.0422 0.0213 289 LEU D O ? ? 1 +15693 N N . ALA D 280 0.0783 0.7337 0.8135 -0.0581 -0.0378 0.0234 290 ALA D N ? ? 1 +15694 C CA . ALA D 280 0.0818 0.7409 0.8222 -0.0611 -0.0391 0.0211 290 ALA D CA ? ? 1 +15695 C CB . ALA D 280 0.0834 0.7429 0.8277 -0.0644 -0.0362 0.0218 290 ALA D CB ? ? 1 +15696 C C . ALA D 280 0.0789 0.7452 0.8230 -0.0598 -0.0415 0.0199 290 ALA D C ? ? 1 +15697 O O . ALA D 280 0.0810 0.7502 0.8280 -0.0609 -0.0441 0.0173 290 ALA D O ? ? 1 +15698 N N . LEU D 281 0.0752 0.7442 0.8191 -0.0573 -0.0406 0.0217 291 LEU D N ? ? 1 +15699 C CA . LEU D 281 0.0728 0.7480 0.8195 -0.0555 -0.0424 0.0211 291 LEU D CA ? ? 1 +15700 C CB . LEU D 281 0.0698 0.7482 0.8192 -0.0554 -0.0397 0.0231 291 LEU D CB ? ? 1 +15701 C CG . LEU D 281 0.0726 0.7516 0.8262 -0.0589 -0.0370 0.0233 291 LEU D CG ? ? 1 +15702 C CD1 . LEU D 281 0.0697 0.7519 0.8254 -0.0584 -0.0345 0.0251 291 LEU D CD1 ? ? 1 +15703 C CD2 . LEU D 281 0.0760 0.7592 0.8357 -0.0619 -0.0384 0.0205 291 LEU D CD2 ? ? 1 +15704 C C . LEU D 281 0.0727 0.7464 0.8141 -0.0519 -0.0444 0.0214 291 LEU D C ? ? 1 +15705 O O . LEU D 281 0.0703 0.7478 0.8126 -0.0498 -0.0454 0.0215 291 LEU D O ? ? 1 +15706 N N . ASN D 282 0.0763 0.7440 0.8121 -0.0512 -0.0445 0.0215 292 ASN D N ? ? 1 +15707 C CA . ASN D 282 0.0762 0.7412 0.8063 -0.0480 -0.0452 0.0222 292 ASN D CA ? ? 1 +15708 C CB . ASN D 282 0.0779 0.7450 0.8071 -0.0464 -0.0486 0.0203 292 ASN D CB ? ? 1 +15709 C CG . ASN D 282 0.0829 0.7476 0.8107 -0.0475 -0.0510 0.0179 292 ASN D CG ? ? 1 +15710 O OD1 . ASN D 282 0.0862 0.7464 0.8122 -0.0491 -0.0500 0.0177 292 ASN D OD1 ? ? 1 +15711 N ND2 . ASN D 282 0.0850 0.7524 0.8132 -0.0465 -0.0543 0.0160 292 ASN D ND2 ? ? 1 +15712 C C . ASN D 282 0.0717 0.7378 0.8010 -0.0462 -0.0432 0.0245 292 ASN D C ? ? 1 +15713 O O . ASN D 282 0.0706 0.7364 0.7967 -0.0438 -0.0439 0.0249 292 ASN D O ? ? 1 +15714 N N . LEU D 283 0.0705 0.7374 0.8024 -0.0474 -0.0407 0.0260 293 LEU D N ? ? 1 +15715 C CA . LEU D 283 0.0691 0.7369 0.8003 -0.0459 -0.0390 0.0281 293 LEU D CA ? ? 1 +15716 C CB . LEU D 283 0.0692 0.7401 0.8049 -0.0475 -0.0371 0.0289 293 LEU D CB ? ? 1 +15717 C CG . LEU D 283 0.0679 0.7418 0.8044 -0.0460 -0.0362 0.0302 293 LEU D CG ? ? 1 +15718 C CD1 . LEU D 283 0.0669 0.7443 0.8039 -0.0441 -0.0384 0.0292 293 LEU D CD1 ? ? 1 +15719 C CD2 . LEU D 283 0.0684 0.7451 0.8092 -0.0479 -0.0342 0.0307 293 LEU D CD2 ? ? 1 +15720 C C . LEU D 283 0.0699 0.7328 0.7965 -0.0448 -0.0376 0.0294 293 LEU D C ? ? 1 +15721 O O . LEU D 283 0.0674 0.7283 0.7939 -0.0455 -0.0356 0.0307 293 LEU D O ? ? 1 +15722 N N . ARG D 284 0.0719 0.7328 0.7945 -0.0430 -0.0386 0.0290 294 ARG D N ? ? 1 +15723 C CA . ARG D 284 0.0749 0.7314 0.7934 -0.0420 -0.0376 0.0296 294 ARG D CA ? ? 1 +15724 C CB . ARG D 284 0.0787 0.7327 0.7933 -0.0410 -0.0392 0.0282 294 ARG D CB ? ? 1 +15725 C CG . ARG D 284 0.0824 0.7357 0.7976 -0.0424 -0.0412 0.0262 294 ARG D CG ? ? 1 +15726 C CD . ARG D 284 0.0854 0.7379 0.7972 -0.0409 -0.0435 0.0247 294 ARG D CD ? ? 1 +15727 N NE . ARG D 284 0.0899 0.7416 0.8021 -0.0423 -0.0457 0.0225 294 ARG D NE ? ? 1 +15728 C CZ . ARG D 284 0.0930 0.7445 0.8029 -0.0413 -0.0485 0.0208 294 ARG D CZ ? ? 1 +15729 N NH1 . ARG D 284 0.0927 0.7444 0.7994 -0.0390 -0.0492 0.0212 294 ARG D NH1 ? ? 1 +15730 N NH2 . ARG D 284 0.0980 0.7488 0.8085 -0.0428 -0.0506 0.0186 294 ARG D NH2 ? ? 1 +15731 C C . ARG D 284 0.0735 0.7305 0.7906 -0.0403 -0.0362 0.0312 294 ARG D C ? ? 1 +15732 O O . ARG D 284 0.0714 0.7311 0.7891 -0.0395 -0.0366 0.0315 294 ARG D O ? ? 1 +15733 N N A SER D 285 0.0754 0.7297 0.7905 -0.0397 -0.0348 0.0319 295 SER D N ? ? 1 +15734 N N B SER D 285 0.0746 0.7288 0.7896 -0.0397 -0.0348 0.0319 295 SER D N ? ? 1 +15735 C CA A SER D 285 0.0747 0.7290 0.7878 -0.0381 -0.0338 0.0328 295 SER D CA ? ? 1 +15736 C CA B SER D 285 0.0732 0.7275 0.7863 -0.0381 -0.0338 0.0328 295 SER D CA ? ? 1 +15737 C C A SER D 285 0.0782 0.7298 0.7875 -0.0371 -0.0341 0.0318 295 SER D C ? ? 1 +15738 C C B SER D 285 0.0773 0.7289 0.7866 -0.0371 -0.0341 0.0318 295 SER D C ? ? 1 +15739 O O A SER D 285 0.0799 0.7291 0.7874 -0.0365 -0.0330 0.0318 295 SER D O ? ? 1 +15740 O O B SER D 285 0.0790 0.7282 0.7865 -0.0365 -0.0330 0.0318 295 SER D O ? ? 1 +15741 C CB A SER D 285 0.0749 0.7284 0.7884 -0.0378 -0.0321 0.0339 295 SER D CB ? ? 1 +15742 C CB B SER D 285 0.0723 0.7258 0.7858 -0.0378 -0.0321 0.0339 295 SER D CB ? ? 1 +15743 O OG A SER D 285 0.0741 0.7296 0.7902 -0.0385 -0.0316 0.0350 295 SER D OG ? ? 1 +15744 O OG B SER D 285 0.0740 0.7244 0.7855 -0.0372 -0.0316 0.0334 295 SER D OG ? ? 1 +15745 N N . TYR D 286 0.0790 0.7309 0.7868 -0.0367 -0.0356 0.0309 296 TYR D N ? ? 1 +15746 C CA . TYR D 286 0.0837 0.7324 0.7869 -0.0358 -0.0361 0.0299 296 TYR D CA ? ? 1 +15747 C CB . TYR D 286 0.0864 0.7353 0.7884 -0.0356 -0.0387 0.0286 296 TYR D CB ? ? 1 +15748 C CG . TYR D 286 0.0930 0.7376 0.7895 -0.0346 -0.0392 0.0275 296 TYR D CG ? ? 1 +15749 C CD1 . TYR D 286 0.0971 0.7392 0.7927 -0.0353 -0.0398 0.0262 296 TYR D CD1 ? ? 1 +15750 C CD2 . TYR D 286 0.0964 0.7388 0.7882 -0.0331 -0.0388 0.0277 296 TYR D CD2 ? ? 1 +15751 C CE1 . TYR D 286 0.1028 0.7405 0.7928 -0.0343 -0.0401 0.0252 296 TYR D CE1 ? ? 1 +15752 C CE2 . TYR D 286 0.1031 0.7411 0.7892 -0.0322 -0.0389 0.0268 296 TYR D CE2 ? ? 1 +15753 C CZ . TYR D 286 0.1063 0.7420 0.7915 -0.0327 -0.0395 0.0255 296 TYR D CZ ? ? 1 +15754 O OH . TYR D 286 0.1152 0.7461 0.7941 -0.0316 -0.0395 0.0245 296 TYR D OH ? ? 1 +15755 C C . TYR D 286 0.0849 0.7327 0.7853 -0.0346 -0.0345 0.0307 296 TYR D C ? ? 1 +15756 O O . TYR D 286 0.0888 0.7338 0.7862 -0.0339 -0.0333 0.0304 296 TYR D O ? ? 1 +15757 N N . ASP D 287 0.0815 0.7316 0.7830 -0.0343 -0.0344 0.0316 297 ASP D N ? ? 1 +15758 C CA . ASP D 287 0.0812 0.7301 0.7796 -0.0334 -0.0331 0.0322 297 ASP D CA ? ? 1 +15759 C CB . ASP D 287 0.0834 0.7312 0.7785 -0.0324 -0.0346 0.0318 297 ASP D CB ? ? 1 +15760 C CG . ASP D 287 0.0812 0.7322 0.7793 -0.0324 -0.0368 0.0317 297 ASP D CG ? ? 1 +15761 O OD1 . ASP D 287 0.0775 0.7318 0.7802 -0.0333 -0.0365 0.0322 297 ASP D OD1 ? ? 1 +15762 O OD2 . ASP D 287 0.0825 0.7327 0.7781 -0.0313 -0.0386 0.0311 297 ASP D OD2 ? ? 1 +15763 C C . ASP D 287 0.0785 0.7300 0.7797 -0.0338 -0.0317 0.0334 297 ASP D C ? ? 1 +15764 O O . ASP D 287 0.0758 0.7299 0.7808 -0.0344 -0.0319 0.0339 297 ASP D O ? ? 1 +15765 N N . PHE D 288 0.0819 0.7321 0.7808 -0.0334 -0.0301 0.0337 298 PHE D N ? ? 1 +15766 C CA . PHE D 288 0.0797 0.7316 0.7800 -0.0337 -0.0290 0.0346 298 PHE D CA ? ? 1 +15767 C CB . PHE D 288 0.0801 0.7322 0.7811 -0.0341 -0.0267 0.0347 298 PHE D CB ? ? 1 +15768 C CG . PHE D 288 0.0788 0.7330 0.7836 -0.0343 -0.0266 0.0347 298 PHE D CG ? ? 1 +15769 C CD1 . PHE D 288 0.0765 0.7333 0.7845 -0.0345 -0.0273 0.0354 298 PHE D CD1 ? ? 1 +15770 C CD2 . PHE D 288 0.0800 0.7332 0.7846 -0.0340 -0.0258 0.0341 298 PHE D CD2 ? ? 1 +15771 C CE1 . PHE D 288 0.0744 0.7323 0.7850 -0.0344 -0.0273 0.0356 298 PHE D CE1 ? ? 1 +15772 C CE2 . PHE D 288 0.0785 0.7329 0.7860 -0.0337 -0.0259 0.0342 298 PHE D CE2 ? ? 1 +15773 C CZ . PHE D 288 0.0761 0.7328 0.7864 -0.0340 -0.0266 0.0350 298 PHE D CZ ? ? 1 +15774 C C . PHE D 288 0.0813 0.7309 0.7775 -0.0331 -0.0291 0.0347 298 PHE D C ? ? 1 +15775 O O . PHE D 288 0.0853 0.7317 0.7775 -0.0329 -0.0278 0.0345 298 PHE D O ? ? 1 +15776 N N . ILE D 289 0.0771 0.7280 0.7740 -0.0327 -0.0303 0.0351 299 ILE D N ? ? 1 +15777 C CA . ILE D 289 0.0789 0.7272 0.7715 -0.0317 -0.0307 0.0352 299 ILE D CA ? ? 1 +15778 C CB . ILE D 289 0.0765 0.7274 0.7713 -0.0310 -0.0323 0.0355 299 ILE D CB ? ? 1 +15779 C CG1 . ILE D 289 0.0757 0.7294 0.7737 -0.0309 -0.0343 0.0348 299 ILE D CG1 ? ? 1 +15780 C CG2 . ILE D 289 0.0803 0.7282 0.7704 -0.0296 -0.0327 0.0356 299 ILE D CG2 ? ? 1 +15781 C CD1 . ILE D 289 0.0739 0.7313 0.7755 -0.0305 -0.0354 0.0350 299 ILE D CD1 ? ? 1 +15782 C C . ILE D 289 0.0782 0.7238 0.7677 -0.0321 -0.0284 0.0356 299 ILE D C ? ? 1 +15783 O O . ILE D 289 0.0822 0.7236 0.7664 -0.0314 -0.0280 0.0356 299 ILE D O ? ? 1 +15784 N N . SER D 290 0.0741 0.7218 0.7667 -0.0333 -0.0269 0.0360 300 SER D N ? ? 1 +15785 C CA . SER D 290 0.0760 0.7215 0.7664 -0.0341 -0.0245 0.0361 300 SER D CA ? ? 1 +15786 C CB . SER D 290 0.0719 0.7209 0.7669 -0.0354 -0.0234 0.0362 300 SER D CB ? ? 1 +15787 O OG . SER D 290 0.0703 0.7222 0.7691 -0.0355 -0.0236 0.0359 300 SER D OG ? ? 1 +15788 C C . SER D 290 0.0787 0.7210 0.7656 -0.0343 -0.0229 0.0357 300 SER D C ? ? 1 +15789 O O . SER D 290 0.0833 0.7214 0.7653 -0.0344 -0.0215 0.0358 300 SER D O ? ? 1 +15790 N N . GLN D 291 0.0784 0.7220 0.7673 -0.0343 -0.0229 0.0351 301 GLN D N ? ? 1 +15791 C CA . GLN D 291 0.0837 0.7243 0.7692 -0.0343 -0.0212 0.0346 301 GLN D CA ? ? 1 +15792 C CB . GLN D 291 0.0824 0.7248 0.7707 -0.0340 -0.0217 0.0339 301 GLN D CB ? ? 1 +15793 C CG . GLN D 291 0.0789 0.7257 0.7731 -0.0347 -0.0211 0.0339 301 GLN D CG ? ? 1 +15794 C CD . GLN D 291 0.0806 0.7280 0.7757 -0.0354 -0.0182 0.0334 301 GLN D CD ? ? 1 +15795 O OE1 . GLN D 291 0.0801 0.7303 0.7784 -0.0363 -0.0173 0.0335 301 GLN D OE1 ? ? 1 +15796 N NE2 . GLN D 291 0.0840 0.7291 0.7766 -0.0350 -0.0167 0.0327 301 GLN D NE2 ? ? 1 +15797 C C . GLN D 291 0.0911 0.7266 0.7698 -0.0331 -0.0220 0.0345 301 GLN D C ? ? 1 +15798 O O . GLN D 291 0.0976 0.7289 0.7714 -0.0332 -0.0200 0.0344 301 GLN D O ? ? 1 +15799 N N . GLU D 292 0.0911 0.7269 0.7695 -0.0319 -0.0250 0.0344 302 GLU D N ? ? 1 +15800 C CA . GLU D 292 0.0967 0.7282 0.7690 -0.0304 -0.0265 0.0341 302 GLU D CA ? ? 1 +15801 C CB . GLU D 292 0.0938 0.7278 0.7683 -0.0294 -0.0300 0.0336 302 GLU D CB ? ? 1 +15802 C CG . GLU D 292 0.0889 0.7254 0.7673 -0.0300 -0.0307 0.0328 302 GLU D CG ? ? 1 +15803 C CD . GLU D 292 0.0918 0.7247 0.7662 -0.0298 -0.0299 0.0320 302 GLU D CD ? ? 1 +15804 O OE1 . GLU D 292 0.0965 0.7245 0.7644 -0.0290 -0.0289 0.0320 302 GLU D OE1 ? ? 1 +15805 O OE2 . GLU D 292 0.0893 0.7238 0.7667 -0.0303 -0.0302 0.0313 302 GLU D OE2 ? ? 1 +15806 C C . GLU D 292 0.1051 0.7324 0.7719 -0.0298 -0.0258 0.0348 302 GLU D C ? ? 1 +15807 O O . GLU D 292 0.1138 0.7355 0.7736 -0.0289 -0.0252 0.0347 302 GLU D O ? ? 1 +15808 N N . ILE D 293 0.1063 0.7356 0.7758 -0.0302 -0.0258 0.0355 303 ILE D N ? ? 1 +15809 C CA . ILE D 293 0.1142 0.7392 0.7786 -0.0296 -0.0250 0.0362 303 ILE D CA ? ? 1 +15810 C CB . ILE D 293 0.1107 0.7389 0.7790 -0.0298 -0.0258 0.0366 303 ILE D CB ? ? 1 +15811 C CG1 . ILE D 293 0.1121 0.7433 0.7827 -0.0279 -0.0292 0.0364 303 ILE D CG1 ? ? 1 +15812 C CG2 . ILE D 293 0.1150 0.7385 0.7784 -0.0297 -0.0244 0.0373 303 ILE D CG2 ? ? 1 +15813 C CD1 . ILE D 293 0.1100 0.7446 0.7844 -0.0277 -0.0300 0.0368 303 ILE D CD1 ? ? 1 +15814 C C . ILE D 293 0.1219 0.7427 0.7824 -0.0311 -0.0213 0.0364 303 ILE D C ? ? 1 +15815 O O . ILE D 293 0.1286 0.7429 0.7815 -0.0303 -0.0204 0.0367 303 ILE D O ? ? 1 +15816 N N . ARG D 294 0.1241 0.7484 0.7896 -0.0331 -0.0191 0.0361 304 ARG D N ? ? 1 +15817 C CA . ARG D 294 0.1353 0.7567 0.7984 -0.0348 -0.0153 0.0360 304 ARG D CA ? ? 1 +15818 C CB . ARG D 294 0.1379 0.7651 0.8085 -0.0367 -0.0137 0.0355 304 ARG D CB ? ? 1 +15819 C CG . ARG D 294 0.1489 0.7746 0.8187 -0.0387 -0.0096 0.0351 304 ARG D CG ? ? 1 +15820 C CD . ARG D 294 0.1612 0.7831 0.8276 -0.0401 -0.0076 0.0356 304 ARG D CD ? ? 1 +15821 N NE . ARG D 294 0.1789 0.7993 0.8445 -0.0423 -0.0033 0.0351 304 ARG D NE ? ? 1 +15822 C CZ . ARG D 294 0.1815 0.8074 0.8540 -0.0442 -0.0014 0.0341 304 ARG D CZ ? ? 1 +15823 N NH1 . ARG D 294 0.1787 0.8112 0.8587 -0.0443 -0.0034 0.0338 304 ARG D NH1 ? ? 1 +15824 N NH2 . ARG D 294 0.1930 0.8177 0.8648 -0.0458 0.0026 0.0335 304 ARG D NH2 ? ? 1 +15825 C C . ARG D 294 0.1415 0.7581 0.7985 -0.0339 -0.0144 0.0357 304 ARG D C ? ? 1 +15826 O O . ARG D 294 0.1468 0.7572 0.7968 -0.0341 -0.0122 0.0361 304 ARG D O ? ? 1 +15827 N N . ALA D 295 0.1432 0.7621 0.8021 -0.0330 -0.0161 0.0351 305 ALA D N ? ? 1 +15828 C CA . ALA D 295 0.1532 0.7680 0.8069 -0.0322 -0.0152 0.0345 305 ALA D CA ? ? 1 +15829 C CB . ALA D 295 0.1483 0.7668 0.8061 -0.0316 -0.0172 0.0336 305 ALA D CB ? ? 1 +15830 C C . ALA D 295 0.1692 0.7770 0.8136 -0.0303 -0.0165 0.0348 305 ALA D C ? ? 1 +15831 O O . ALA D 295 0.1731 0.7749 0.8103 -0.0302 -0.0142 0.0349 305 ALA D O ? ? 1 +15832 N N . ALA D 296 0.1825 0.7910 0.8268 -0.0287 -0.0202 0.0350 306 ALA D N ? ? 1 +15833 C CA . ALA D 296 0.2006 0.8029 0.8364 -0.0263 -0.0221 0.0352 306 ALA D CA ? ? 1 +15834 C CB . ALA D 296 0.1944 0.8001 0.8332 -0.0246 -0.0263 0.0352 306 ALA D CB ? ? 1 +15835 C C . ALA D 296 0.2240 0.8193 0.8524 -0.0266 -0.0192 0.0362 306 ALA D C ? ? 1 +15836 O O . ALA D 296 0.2421 0.8301 0.8612 -0.0251 -0.0188 0.0364 306 ALA D O ? ? 1 +15837 N N . GLU D 297 0.2364 0.8335 0.8684 -0.0285 -0.0171 0.0369 307 GLU D N ? ? 1 +15838 C CA . GLU D 297 0.2601 0.8506 0.8856 -0.0292 -0.0141 0.0378 307 GLU D CA ? ? 1 +15839 C CB . GLU D 297 0.2905 0.8840 0.9208 -0.0303 -0.0141 0.0383 307 GLU D CB ? ? 1 +15840 C CG . GLU D 297 0.3292 0.9237 0.9597 -0.0278 -0.0181 0.0385 307 GLU D CG ? ? 1 +15841 C CD . GLU D 297 0.3653 0.9637 1.0014 -0.0289 -0.0181 0.0388 307 GLU D CD ? ? 1 +15842 O OE1 . GLU D 297 0.3643 0.9641 1.0037 -0.0318 -0.0151 0.0388 307 GLU D OE1 ? ? 1 +15843 O OE2 . GLU D 297 0.4040 1.0043 1.0415 -0.0269 -0.0213 0.0389 307 GLU D OE2 ? ? 1 +15844 C C . GLU D 297 0.2504 0.8383 0.8742 -0.0317 -0.0091 0.0377 307 GLU D C ? ? 1 +15845 O O . GLU D 297 0.2597 0.8402 0.8759 -0.0322 -0.0063 0.0384 307 GLU D O ? ? 1 +15846 N N . ASP D 298 0.2293 0.8232 0.8602 -0.0333 -0.0079 0.0369 308 ASP D N ? ? 1 +15847 C CA . ASP D 298 0.2187 0.8123 0.8504 -0.0358 -0.0031 0.0365 308 ASP D CA ? ? 1 +15848 C CB . ASP D 298 0.2079 0.8090 0.8495 -0.0383 -0.0020 0.0361 308 ASP D CB ? ? 1 +15849 C CG . ASP D 298 0.2036 0.8055 0.8474 -0.0410 0.0028 0.0355 308 ASP D CG ? ? 1 +15850 O OD1 . ASP D 298 0.2071 0.8036 0.8446 -0.0411 0.0059 0.0355 308 ASP D OD1 ? ? 1 +15851 O OD2 . ASP D 298 0.1985 0.8066 0.8503 -0.0430 0.0036 0.0350 308 ASP D OD2 ? ? 1 +15852 C C . ASP D 298 0.2127 0.8068 0.8441 -0.0352 -0.0023 0.0357 308 ASP D C ? ? 1 +15853 O O . ASP D 298 0.1964 0.7973 0.8355 -0.0355 -0.0031 0.0348 308 ASP D O ? ? 1 +15854 N N . PRO D 299 0.2243 0.8107 0.8460 -0.0342 -0.0007 0.0358 309 PRO D N ? ? 1 +15855 C CA . PRO D 299 0.2289 0.8147 0.8489 -0.0335 0.0002 0.0349 309 PRO D CA ? ? 1 +15856 C CB . PRO D 299 0.2419 0.8173 0.8490 -0.0318 0.0010 0.0355 309 PRO D CB ? ? 1 +15857 C CG . PRO D 299 0.2454 0.8169 0.8481 -0.0308 -0.0012 0.0366 309 PRO D CG ? ? 1 +15858 C CD . PRO D 299 0.2368 0.8138 0.8477 -0.0333 0.0001 0.0369 309 PRO D CD ? ? 1 +15859 C C . PRO D 299 0.2211 0.8107 0.8465 -0.0357 0.0047 0.0341 309 PRO D C ? ? 1 +15860 O O . PRO D 299 0.2192 0.8081 0.8430 -0.0350 0.0057 0.0333 309 PRO D O ? ? 1 +15861 N N . GLU D 300 0.2160 0.8101 0.8481 -0.0383 0.0071 0.0341 310 GLU D N ? ? 1 +15862 C CA . GLU D 300 0.2167 0.8164 0.8559 -0.0402 0.0106 0.0330 310 GLU D CA ? ? 1 +15863 C CB . GLU D 300 0.2339 0.8321 0.8730 -0.0432 0.0156 0.0331 310 GLU D CB ? ? 1 +15864 C CG . GLU D 300 0.2635 0.8522 0.8916 -0.0433 0.0194 0.0336 310 GLU D CG ? ? 1 +15865 C CD . GLU D 300 0.2936 0.8805 0.9214 -0.0467 0.0248 0.0336 310 GLU D CD ? ? 1 +15866 O OE1 . GLU D 300 0.3236 0.9072 0.9489 -0.0478 0.0245 0.0345 310 GLU D OE1 ? ? 1 +15867 O OE2 . GLU D 300 0.3249 0.9141 0.9557 -0.0485 0.0294 0.0326 310 GLU D OE2 ? ? 1 +15868 C C . GLU D 300 0.1929 0.8021 0.8433 -0.0403 0.0080 0.0323 310 GLU D C ? ? 1 +15869 O O . GLU D 300 0.1929 0.8076 0.8501 -0.0414 0.0103 0.0313 310 GLU D O ? ? 1 +15870 N N . PHE D 301 0.1734 0.7846 0.8258 -0.0390 0.0034 0.0329 311 PHE D N ? ? 1 +15871 C CA . PHE D 301 0.1543 0.7735 0.8162 -0.0391 0.0010 0.0324 311 PHE D CA ? ? 1 +15872 C CB . PHE D 301 0.1485 0.7690 0.8120 -0.0389 -0.0023 0.0333 311 PHE D CB ? ? 1 +15873 C CG . PHE D 301 0.1370 0.7650 0.8093 -0.0389 -0.0047 0.0330 311 PHE D CG ? ? 1 +15874 C CD1 . PHE D 301 0.1307 0.7642 0.8100 -0.0406 -0.0031 0.0325 311 PHE D CD1 ? ? 1 +15875 C CD2 . PHE D 301 0.1337 0.7632 0.8072 -0.0373 -0.0087 0.0333 311 PHE D CD2 ? ? 1 +15876 C CE1 . PHE D 301 0.1233 0.7629 0.8097 -0.0403 -0.0055 0.0323 311 PHE D CE1 ? ? 1 +15877 C CE2 . PHE D 301 0.1251 0.7607 0.8059 -0.0373 -0.0106 0.0332 311 PHE D CE2 ? ? 1 +15878 C CZ . PHE D 301 0.1207 0.7610 0.8075 -0.0387 -0.0091 0.0328 311 PHE D CZ ? ? 1 +15879 C C . PHE D 301 0.1469 0.7676 0.8098 -0.0371 -0.0013 0.0318 311 PHE D C ? ? 1 +15880 O O . PHE D 301 0.1502 0.7671 0.8080 -0.0353 -0.0040 0.0320 311 PHE D O ? ? 1 +15881 N N A GLU D 302 0.1405 0.7665 0.8100 -0.0373 -0.0002 0.0309 312 GLU D N ? ? 1 +15882 N N B GLU D 302 0.1388 0.7649 0.8084 -0.0373 -0.0003 0.0309 312 GLU D N ? ? 1 +15883 C CA A GLU D 302 0.1373 0.7643 0.8078 -0.0356 -0.0018 0.0302 312 GLU D CA ? ? 1 +15884 C CA B GLU D 302 0.1347 0.7617 0.8052 -0.0356 -0.0019 0.0302 312 GLU D CA ? ? 1 +15885 C C A GLU D 302 0.1276 0.7619 0.8073 -0.0357 -0.0025 0.0296 312 GLU D C ? ? 1 +15886 C C B GLU D 302 0.1242 0.7586 0.8039 -0.0357 -0.0026 0.0297 312 GLU D C ? ? 1 +15887 O O A GLU D 302 0.1251 0.7635 0.8098 -0.0369 0.0000 0.0291 312 GLU D O ? ? 1 +15888 O O B GLU D 302 0.1213 0.7597 0.8061 -0.0369 -0.0001 0.0292 312 GLU D O ? ? 1 +15889 C CB A GLU D 302 0.1448 0.7677 0.8101 -0.0351 0.0014 0.0294 312 GLU D CB ? ? 1 +15890 C CB B GLU D 302 0.1420 0.7650 0.8075 -0.0351 0.0013 0.0294 312 GLU D CB ? ? 1 +15891 C CG A GLU D 302 0.1454 0.7680 0.8105 -0.0332 -0.0002 0.0285 312 GLU D CG ? ? 1 +15892 C CG B GLU D 302 0.1426 0.7653 0.8078 -0.0332 -0.0004 0.0285 312 GLU D CG ? ? 1 +15893 C CD A GLU D 302 0.1547 0.7713 0.8122 -0.0323 0.0023 0.0278 312 GLU D CD ? ? 1 +15894 C CD B GLU D 302 0.1519 0.7684 0.8092 -0.0322 0.0019 0.0278 312 GLU D CD ? ? 1 +15895 O OE1 A GLU D 302 0.1617 0.7748 0.8146 -0.0333 0.0059 0.0280 312 GLU D OE1 ? ? 1 +15896 O OE1 B GLU D 302 0.1594 0.7719 0.8115 -0.0331 0.0053 0.0281 312 GLU D OE1 ? ? 1 +15897 O OE2 A GLU D 302 0.1567 0.7717 0.8124 -0.0307 0.0008 0.0270 312 GLU D OE2 ? ? 1 +15898 O OE2 B GLU D 302 0.1539 0.7690 0.8097 -0.0307 0.0005 0.0270 312 GLU D OE2 ? ? 1 +15899 N N A THR D 303 0.1217 0.7575 0.8033 -0.0344 -0.0061 0.0297 313 THR D N ? ? 1 +15900 N N B THR D 303 0.1177 0.7536 0.7995 -0.0345 -0.0061 0.0297 313 THR D N ? ? 1 +15901 C CA A THR D 303 0.1137 0.7551 0.8027 -0.0341 -0.0072 0.0294 313 THR D CA ? ? 1 +15902 C CA B THR D 303 0.1091 0.7507 0.7983 -0.0341 -0.0072 0.0294 313 THR D CA ? ? 1 +15903 C C A THR D 303 0.1128 0.7526 0.8006 -0.0324 -0.0088 0.0288 313 THR D C ? ? 1 +15904 C C B THR D 303 0.1079 0.7479 0.7959 -0.0324 -0.0087 0.0288 313 THR D C ? ? 1 +15905 O O A THR D 303 0.1170 0.7519 0.7987 -0.0317 -0.0094 0.0287 313 THR D O ? ? 1 +15906 O O B THR D 303 0.1116 0.7466 0.7935 -0.0318 -0.0093 0.0286 313 THR D O ? ? 1 +15907 C CB A THR D 303 0.1078 0.7525 0.8006 -0.0346 -0.0099 0.0303 313 THR D CB ? ? 1 +15908 C CB B THR D 303 0.1031 0.7479 0.7961 -0.0346 -0.0100 0.0303 313 THR D CB ? ? 1 +15909 O OG1 A THR D 303 0.1081 0.7501 0.7978 -0.0338 -0.0130 0.0308 313 THR D OG1 ? ? 1 +15910 O OG1 B THR D 303 0.1031 0.7454 0.7931 -0.0338 -0.0131 0.0308 313 THR D OG1 ? ? 1 +15911 C CG2 A THR D 303 0.1068 0.7521 0.7999 -0.0362 -0.0087 0.0308 313 THR D CG2 ? ? 1 +15912 C CG2 B THR D 303 0.1020 0.7473 0.7951 -0.0362 -0.0088 0.0308 313 THR D CG2 ? ? 1 +15913 N N A PHE D 304 0.1075 0.7512 0.8008 -0.0317 -0.0095 0.0285 314 PHE D N ? ? 1 +15914 N N B PHE D 304 0.1021 0.7459 0.7955 -0.0317 -0.0094 0.0285 314 PHE D N ? ? 1 +15915 C CA A PHE D 304 0.1069 0.7488 0.7993 -0.0302 -0.0111 0.0280 314 PHE D CA ? ? 1 +15916 C CA B PHE D 304 0.1012 0.7433 0.7938 -0.0302 -0.0111 0.0280 314 PHE D CA ? ? 1 +15917 C C A PHE D 304 0.1041 0.7443 0.7948 -0.0304 -0.0146 0.0286 314 PHE D C ? ? 1 +15918 C C B PHE D 304 0.0983 0.7386 0.7892 -0.0304 -0.0146 0.0286 314 PHE D C ? ? 1 +15919 O O A PHE D 304 0.1067 0.7439 0.7949 -0.0297 -0.0161 0.0281 314 PHE D O ? ? 1 +15920 O O B PHE D 304 0.1008 0.7382 0.7893 -0.0297 -0.0161 0.0281 314 PHE D O ? ? 1 +15921 C CB A PHE D 304 0.1036 0.7496 0.8019 -0.0292 -0.0110 0.0276 314 PHE D CB ? ? 1 +15922 C CB B PHE D 304 0.0978 0.7439 0.7962 -0.0292 -0.0110 0.0276 314 PHE D CB ? ? 1 +15923 C CG A PHE D 304 0.1063 0.7536 0.8059 -0.0284 -0.0077 0.0264 314 PHE D CG ? ? 1 +15924 C CG B PHE D 304 0.1006 0.7479 0.8002 -0.0284 -0.0077 0.0264 314 PHE D CG ? ? 1 +15925 C CD1 A PHE D 304 0.1117 0.7550 0.8072 -0.0271 -0.0065 0.0254 314 PHE D CD1 ? ? 1 +15926 C CD1 B PHE D 304 0.1060 0.7493 0.8015 -0.0271 -0.0065 0.0254 314 PHE D CD1 ? ? 1 +15927 C CD2 A PHE D 304 0.1037 0.7561 0.8085 -0.0289 -0.0057 0.0261 314 PHE D CD2 ? ? 1 +15928 C CD2 B PHE D 304 0.0978 0.7504 0.8028 -0.0288 -0.0057 0.0261 314 PHE D CD2 ? ? 1 +15929 C CE1 A PHE D 304 0.1145 0.7592 0.8113 -0.0262 -0.0031 0.0243 314 PHE D CE1 ? ? 1 +15930 C CE1 B PHE D 304 0.1089 0.7534 0.8056 -0.0262 -0.0032 0.0243 314 PHE D CE1 ? ? 1 +15931 C CE2 A PHE D 304 0.1065 0.7608 0.8133 -0.0282 -0.0026 0.0248 314 PHE D CE2 ? ? 1 +15932 C CE2 B PHE D 304 0.1007 0.7550 0.8075 -0.0281 -0.0026 0.0248 314 PHE D CE2 ? ? 1 +15933 C CZ A PHE D 304 0.1119 0.7623 0.8146 -0.0268 -0.0011 0.0240 314 PHE D CZ ? ? 1 +15934 C CZ B PHE D 304 0.1063 0.7566 0.8089 -0.0267 -0.0012 0.0240 314 PHE D CZ ? ? 1 +15935 N N A TYR D 305 0.0993 0.7413 0.7915 -0.0314 -0.0159 0.0296 315 TYR D N ? ? 1 +15936 N N B TYR D 305 0.0933 0.7354 0.7856 -0.0314 -0.0159 0.0296 315 TYR D N ? ? 1 +15937 C CA A TYR D 305 0.0977 0.7388 0.7889 -0.0316 -0.0189 0.0301 315 TYR D CA ? ? 1 +15938 C CA B TYR D 305 0.0920 0.7330 0.7830 -0.0316 -0.0189 0.0301 315 TYR D CA ? ? 1 +15939 C C A TYR D 305 0.1025 0.7386 0.7870 -0.0313 -0.0195 0.0297 315 TYR D C ? ? 1 +15940 C C B TYR D 305 0.0968 0.7328 0.7812 -0.0313 -0.0195 0.0297 315 TYR D C ? ? 1 +15941 O O A TYR D 305 0.1049 0.7390 0.7876 -0.0309 -0.0217 0.0292 315 TYR D O ? ? 1 +15942 O O B TYR D 305 0.0993 0.7332 0.7818 -0.0308 -0.0216 0.0292 315 TYR D O ? ? 1 +15943 C CB A TYR D 305 0.0930 0.7371 0.7870 -0.0325 -0.0198 0.0312 315 TYR D CB ? ? 1 +15944 C CB B TYR D 305 0.0872 0.7312 0.7812 -0.0325 -0.0199 0.0312 315 TYR D CB ? ? 1 +15945 C CG A TYR D 305 0.0925 0.7354 0.7846 -0.0326 -0.0224 0.0316 315 TYR D CG ? ? 1 +15946 C CG B TYR D 305 0.0867 0.7295 0.7787 -0.0326 -0.0224 0.0316 315 TYR D CG ? ? 1 +15947 C CD1 A TYR D 305 0.0905 0.7342 0.7845 -0.0326 -0.0247 0.0316 315 TYR D CD1 ? ? 1 +15948 C CD1 B TYR D 305 0.0848 0.7285 0.7788 -0.0326 -0.0247 0.0316 315 TYR D CD1 ? ? 1 +15949 C CD2 A TYR D 305 0.0950 0.7356 0.7830 -0.0327 -0.0224 0.0319 315 TYR D CD2 ? ? 1 +15950 C CD2 B TYR D 305 0.0893 0.7299 0.7773 -0.0327 -0.0224 0.0319 315 TYR D CD2 ? ? 1 +15951 C CE1 A TYR D 305 0.0910 0.7345 0.7841 -0.0327 -0.0270 0.0317 315 TYR D CE1 ? ? 1 +15952 C CE1 B TYR D 305 0.0854 0.7289 0.7785 -0.0327 -0.0270 0.0317 315 TYR D CE1 ? ? 1 +15953 C CE2 A TYR D 305 0.0953 0.7352 0.7818 -0.0324 -0.0249 0.0321 315 TYR D CE2 ? ? 1 +15954 C CE2 B TYR D 305 0.0896 0.7295 0.7761 -0.0324 -0.0249 0.0321 315 TYR D CE2 ? ? 1 +15955 C CZ A TYR D 305 0.0930 0.7348 0.7825 -0.0324 -0.0272 0.0319 315 TYR D CZ ? ? 1 +15956 C CZ B TYR D 305 0.0873 0.7291 0.7768 -0.0324 -0.0273 0.0319 315 TYR D CZ ? ? 1 +15957 O OH A TYR D 305 0.0918 0.7337 0.7806 -0.0321 -0.0297 0.0319 315 TYR D OH ? ? 1 +15958 O OH B TYR D 305 0.0861 0.7280 0.7749 -0.0321 -0.0297 0.0319 315 TYR D OH ? ? 1 +15959 N N A THR D 306 0.1053 0.7393 0.7860 -0.0315 -0.0176 0.0299 316 THR D N ? ? 1 +15960 N N B THR D 306 0.0996 0.7334 0.7800 -0.0315 -0.0176 0.0299 316 THR D N ? ? 1 +15961 C CA A THR D 306 0.1109 0.7395 0.7843 -0.0308 -0.0182 0.0295 316 THR D CA ? ? 1 +15962 C CA B THR D 306 0.1052 0.7336 0.7783 -0.0308 -0.0181 0.0295 316 THR D CA ? ? 1 +15963 C C A THR D 306 0.1146 0.7399 0.7845 -0.0299 -0.0176 0.0283 316 THR D C ? ? 1 +15964 C C B THR D 306 0.1090 0.7339 0.7784 -0.0299 -0.0175 0.0283 316 THR D C ? ? 1 +15965 O O A THR D 306 0.1186 0.7407 0.7845 -0.0292 -0.0200 0.0277 316 THR D O ? ? 1 +15966 O O B THR D 306 0.1137 0.7349 0.7783 -0.0291 -0.0196 0.0277 316 THR D O ? ? 1 +15967 C CB A THR D 306 0.1144 0.7407 0.7839 -0.0313 -0.0158 0.0301 316 THR D CB ? ? 1 +15968 C CB B THR D 306 0.1093 0.7352 0.7782 -0.0313 -0.0158 0.0301 316 THR D CB ? ? 1 +15969 O OG1 A THR D 306 0.1160 0.7434 0.7871 -0.0320 -0.0120 0.0299 316 THR D OG1 ? ? 1 +15970 O OG1 B THR D 306 0.1121 0.7385 0.7819 -0.0319 -0.0118 0.0298 316 THR D OG1 ? ? 1 +15971 C CG2 A THR D 306 0.1109 0.7395 0.7827 -0.0320 -0.0170 0.0312 316 THR D CG2 ? ? 1 +15972 C CG2 B THR D 306 0.1057 0.7340 0.7772 -0.0320 -0.0168 0.0312 316 THR D CG2 ? ? 1 +15973 N N A LYS D 307 0.1137 0.7398 0.7852 -0.0298 -0.0146 0.0279 317 LYS D N ? ? 1 +15974 N N B LYS D 307 0.1073 0.7334 0.7789 -0.0298 -0.0147 0.0278 317 LYS D N ? ? 1 +15975 C CA A LYS D 307 0.1175 0.7402 0.7856 -0.0287 -0.0137 0.0267 317 LYS D CA ? ? 1 +15976 C CA B LYS D 307 0.1110 0.7337 0.7792 -0.0287 -0.0139 0.0266 317 LYS D CA ? ? 1 +15977 C C A LYS D 307 0.1167 0.7388 0.7854 -0.0282 -0.0170 0.0260 317 LYS D C ? ? 1 +15978 C C B LYS D 307 0.1099 0.7321 0.7788 -0.0282 -0.0172 0.0260 317 LYS D C ? ? 1 +15979 O O A LYS D 307 0.1230 0.7406 0.7866 -0.0274 -0.0177 0.0249 317 LYS D O ? ? 1 +15980 O O B LYS D 307 0.1163 0.7340 0.7800 -0.0275 -0.0182 0.0250 317 LYS D O ? ? 1 +15981 C CB A LYS D 307 0.1159 0.7411 0.7876 -0.0285 -0.0103 0.0262 317 LYS D CB ? ? 1 +15982 C CB B LYS D 307 0.1092 0.7345 0.7811 -0.0284 -0.0104 0.0261 317 LYS D CB ? ? 1 +15983 C CG A LYS D 307 0.1184 0.7428 0.7880 -0.0290 -0.0063 0.0262 317 LYS D CG ? ? 1 +15984 C CG B LYS D 307 0.1112 0.7360 0.7813 -0.0290 -0.0065 0.0262 317 LYS D CG ? ? 1 +15985 C CD A LYS D 307 0.1158 0.7450 0.7914 -0.0291 -0.0031 0.0257 317 LYS D CD ? ? 1 +15986 C CD B LYS D 307 0.1087 0.7381 0.7846 -0.0290 -0.0032 0.0257 317 LYS D CD ? ? 1 +15987 C CE A LYS D 307 0.1179 0.7462 0.7934 -0.0274 -0.0023 0.0244 317 LYS D CE ? ? 1 +15988 C CE B LYS D 307 0.1111 0.7394 0.7866 -0.0273 -0.0023 0.0244 317 LYS D CE ? ? 1 +15989 N NZ A LYS D 307 0.1260 0.7481 0.7935 -0.0267 -0.0002 0.0236 317 LYS D NZ ? ? 1 +15990 N NZ B LYS D 307 0.1193 0.7413 0.7867 -0.0267 -0.0002 0.0236 317 LYS D NZ ? ? 1 +15991 N N A ASN D 308 0.1104 0.7366 0.7852 -0.0288 -0.0189 0.0266 318 ASN D N ? ? 1 +15992 N N B ASN D 308 0.1035 0.7298 0.7786 -0.0288 -0.0189 0.0266 318 ASN D N ? ? 1 +15993 C CA A ASN D 308 0.1099 0.7355 0.7859 -0.0287 -0.0215 0.0260 318 ASN D CA ? ? 1 +15994 C CA B ASN D 308 0.1029 0.7287 0.7792 -0.0287 -0.0216 0.0260 318 ASN D CA ? ? 1 +15995 C C A ASN D 308 0.1123 0.7359 0.7853 -0.0291 -0.0248 0.0257 318 ASN D C ? ? 1 +15996 C C B ASN D 308 0.1053 0.7293 0.7788 -0.0292 -0.0249 0.0257 318 ASN D C ? ? 1 +15997 O O A ASN D 308 0.1156 0.7365 0.7867 -0.0290 -0.0266 0.0245 318 ASN D O ? ? 1 +15998 O O B ASN D 308 0.1082 0.7298 0.7803 -0.0292 -0.0268 0.0247 318 ASN D O ? ? 1 +15999 C CB A ASN D 308 0.1033 0.7334 0.7861 -0.0292 -0.0220 0.0268 318 ASN D CB ? ? 1 +16000 C CB B ASN D 308 0.0963 0.7265 0.7794 -0.0292 -0.0221 0.0268 318 ASN D CB ? ? 1 +16001 C CG A ASN D 308 0.1022 0.7339 0.7880 -0.0283 -0.0196 0.0266 318 ASN D CG ? ? 1 +16002 C CG B ASN D 308 0.0951 0.7266 0.7808 -0.0282 -0.0197 0.0266 318 ASN D CG ? ? 1 +16003 O OD1 A ASN D 308 0.1061 0.7355 0.7891 -0.0273 -0.0175 0.0257 318 ASN D OD1 ? ? 1 +16004 O OD1 B ASN D 308 0.0987 0.7277 0.7815 -0.0272 -0.0177 0.0256 318 ASN D OD1 ? ? 1 +16005 N ND2 A ASN D 308 0.0969 0.7323 0.7880 -0.0283 -0.0200 0.0274 318 ASN D ND2 ? ? 1 +16006 N ND2 B ASN D 308 0.0893 0.7249 0.7806 -0.0283 -0.0199 0.0274 318 ASN D ND2 ? ? 1 +16007 N N A LEU D 309 0.1116 0.7364 0.7842 -0.0295 -0.0256 0.0265 319 LEU D N ? ? 1 +16008 N N B LEU D 309 0.1052 0.7302 0.7780 -0.0295 -0.0255 0.0265 319 LEU D N ? ? 1 +16009 C CA A LEU D 309 0.1143 0.7380 0.7845 -0.0295 -0.0288 0.0261 319 LEU D CA ? ? 1 +16010 C CA B LEU D 309 0.1083 0.7320 0.7785 -0.0295 -0.0287 0.0261 319 LEU D CA ? ? 1 +16011 C C A LEU D 309 0.1226 0.7406 0.7851 -0.0284 -0.0294 0.0248 319 LEU D C ? ? 1 +16012 C C B LEU D 309 0.1166 0.7346 0.7791 -0.0284 -0.0293 0.0249 319 LEU D C ? ? 1 +16013 O O A LEU D 309 0.1246 0.7412 0.7855 -0.0283 -0.0324 0.0236 319 LEU D O ? ? 1 +16014 O O B LEU D 309 0.1185 0.7351 0.7793 -0.0283 -0.0323 0.0237 319 LEU D O ? ? 1 +16015 C CB A LEU D 309 0.1124 0.7378 0.7827 -0.0296 -0.0293 0.0272 319 LEU D CB ? ? 1 +16016 C CB B LEU D 309 0.1065 0.7320 0.7769 -0.0296 -0.0291 0.0273 319 LEU D CB ? ? 1 +16017 C CG A LEU D 309 0.1056 0.7363 0.7828 -0.0306 -0.0293 0.0284 319 LEU D CG ? ? 1 +16018 C CG B LEU D 309 0.0998 0.7306 0.7770 -0.0306 -0.0294 0.0284 319 LEU D CG ? ? 1 +16019 C CD1 A LEU D 309 0.1045 0.7363 0.7812 -0.0304 -0.0306 0.0291 319 LEU D CD1 ? ? 1 +16020 C CD1 B LEU D 309 0.0989 0.7307 0.7755 -0.0304 -0.0308 0.0291 319 LEU D CD1 ? ? 1 +16021 C CD2 A LEU D 309 0.1030 0.7362 0.7850 -0.0313 -0.0312 0.0280 319 LEU D CD2 ? ? 1 +16022 C CD2 B LEU D 309 0.0975 0.7306 0.7794 -0.0313 -0.0312 0.0280 319 LEU D CD2 ? ? 1 +16023 N N A LEU D 310 0.1273 0.7421 0.7852 -0.0277 -0.0263 0.0249 320 LEU D N ? ? 1 +16024 N N B LEU D 310 0.1213 0.7362 0.7792 -0.0277 -0.0262 0.0249 320 LEU D N ? ? 1 +16025 C CA A LEU D 310 0.1357 0.7445 0.7854 -0.0265 -0.0263 0.0238 320 LEU D CA ? ? 1 +16026 C CA B LEU D 310 0.1296 0.7384 0.7793 -0.0265 -0.0262 0.0238 320 LEU D CA ? ? 1 +16027 C C A LEU D 310 0.1382 0.7451 0.7876 -0.0263 -0.0274 0.0222 320 LEU D C ? ? 1 +16028 C C B LEU D 310 0.1321 0.7390 0.7815 -0.0263 -0.0273 0.0222 320 LEU D C ? ? 1 +16029 O O A LEU D 310 0.1442 0.7471 0.7883 -0.0257 -0.0298 0.0209 320 LEU D O ? ? 1 +16030 O O B LEU D 310 0.1380 0.7411 0.7823 -0.0257 -0.0298 0.0209 320 LEU D O ? ? 1 +16031 C CB A LEU D 310 0.1392 0.7453 0.7848 -0.0260 -0.0219 0.0242 320 LEU D CB ? ? 1 +16032 C CB B LEU D 310 0.1332 0.7392 0.7788 -0.0260 -0.0218 0.0242 320 LEU D CB ? ? 1 +16033 C CG A LEU D 310 0.1401 0.7453 0.7830 -0.0261 -0.0209 0.0255 320 LEU D CG ? ? 1 +16034 C CG B LEU D 310 0.1341 0.7393 0.7769 -0.0261 -0.0208 0.0254 320 LEU D CG ? ? 1 +16035 C CD1 A LEU D 310 0.1430 0.7466 0.7836 -0.0263 -0.0160 0.0259 320 LEU D CD1 ? ? 1 +16036 C CD1 B LEU D 310 0.1370 0.7406 0.7777 -0.0263 -0.0159 0.0259 320 LEU D CD1 ? ? 1 +16037 C CD2 A LEU D 310 0.1466 0.7469 0.7817 -0.0248 -0.0237 0.0251 320 LEU D CD2 ? ? 1 +16038 C CD2 B LEU D 310 0.1409 0.7409 0.7757 -0.0248 -0.0235 0.0251 320 LEU D CD2 ? ? 1 +16039 N N A LEU D 311 0.1337 0.7433 0.7885 -0.0268 -0.0259 0.0223 321 LEU D N ? ? 1 +16040 N N B LEU D 311 0.1275 0.7371 0.7823 -0.0268 -0.0258 0.0223 321 LEU D N ? ? 1 +16041 C CA A LEU D 311 0.1352 0.7429 0.7902 -0.0267 -0.0269 0.0209 321 LEU D CA ? ? 1 +16042 C CA B LEU D 311 0.1288 0.7365 0.7838 -0.0267 -0.0268 0.0209 321 LEU D CA ? ? 1 +16043 C C A LEU D 311 0.1343 0.7429 0.7915 -0.0278 -0.0310 0.0203 321 LEU D C ? ? 1 +16044 C C B LEU D 311 0.1280 0.7367 0.7853 -0.0278 -0.0310 0.0203 321 LEU D C ? ? 1 +16045 O O A LEU D 311 0.1391 0.7442 0.7929 -0.0278 -0.0330 0.0186 321 LEU D O ? ? 1 +16046 O O B LEU D 311 0.1327 0.7378 0.7866 -0.0278 -0.0329 0.0186 321 LEU D O ? ? 1 +16047 C CB A LEU D 311 0.1304 0.7410 0.7910 -0.0267 -0.0245 0.0215 321 LEU D CB ? ? 1 +16048 C CB B LEU D 311 0.1240 0.7344 0.7845 -0.0267 -0.0244 0.0214 321 LEU D CB ? ? 1 +16049 C CG A LEU D 311 0.1312 0.7417 0.7909 -0.0257 -0.0203 0.0217 321 LEU D CG ? ? 1 +16050 C CG B LEU D 311 0.1247 0.7351 0.7843 -0.0257 -0.0202 0.0217 321 LEU D CG ? ? 1 +16051 C CD1 A LEU D 311 0.1273 0.7410 0.7927 -0.0253 -0.0184 0.0220 321 LEU D CD1 ? ? 1 +16052 C CD1 B LEU D 311 0.1204 0.7341 0.7860 -0.0253 -0.0184 0.0220 321 LEU D CD1 ? ? 1 +16053 C CD2 A LEU D 311 0.1396 0.7442 0.7915 -0.0245 -0.0189 0.0204 321 LEU D CD2 ? ? 1 +16054 C CD2 B LEU D 311 0.1330 0.7375 0.7851 -0.0244 -0.0188 0.0203 321 LEU D CD2 ? ? 1 +16055 N N A ASN D 312 0.1280 0.7417 0.7910 -0.0289 -0.0322 0.0214 322 ASN D N ? ? 1 +16056 N N B ASN D 312 0.1218 0.7355 0.7848 -0.0289 -0.0322 0.0214 322 ASN D N ? ? 1 +16057 C CA A ASN D 312 0.1268 0.7424 0.7928 -0.0302 -0.0357 0.0208 322 ASN D CA ? ? 1 +16058 C CA B ASN D 312 0.1206 0.7362 0.7866 -0.0302 -0.0357 0.0208 322 ASN D CA ? ? 1 +16059 C C A ASN D 312 0.1323 0.7452 0.7930 -0.0296 -0.0387 0.0195 322 ASN D C ? ? 1 +16060 C C B ASN D 312 0.1264 0.7394 0.7871 -0.0296 -0.0387 0.0195 322 ASN D C ? ? 1 +16061 O O A ASN D 312 0.1348 0.7467 0.7953 -0.0303 -0.0416 0.0179 322 ASN D O ? ? 1 +16062 O O B ASN D 312 0.1290 0.7409 0.7896 -0.0303 -0.0415 0.0179 322 ASN D O ? ? 1 +16063 C CB A ASN D 312 0.1197 0.7409 0.7919 -0.0311 -0.0360 0.0224 322 ASN D CB ? ? 1 +16064 C CB B ASN D 312 0.1135 0.7347 0.7857 -0.0311 -0.0360 0.0224 322 ASN D CB ? ? 1 +16065 C CG A ASN D 312 0.1147 0.7386 0.7922 -0.0317 -0.0339 0.0235 322 ASN D CG ? ? 1 +16066 C CG B ASN D 312 0.1085 0.7324 0.7861 -0.0317 -0.0340 0.0235 322 ASN D CG ? ? 1 +16067 O OD1 A ASN D 312 0.1171 0.7388 0.7944 -0.0315 -0.0327 0.0231 322 ASN D OD1 ? ? 1 +16068 O OD1 B ASN D 312 0.1105 0.7324 0.7881 -0.0316 -0.0328 0.0231 322 ASN D OD1 ? ? 1 +16069 N ND2 A ASN D 312 0.1089 0.7372 0.7910 -0.0323 -0.0337 0.0250 322 ASN D ND2 ? ? 1 +16070 N ND2 B ASN D 312 0.1027 0.7310 0.7848 -0.0323 -0.0337 0.0250 322 ASN D ND2 ? ? 1 +16071 N N A GLU D 313 0.1352 0.7469 0.7914 -0.0283 -0.0381 0.0201 323 GLU D N ? ? 1 +16072 N N B GLU D 313 0.1298 0.7414 0.7860 -0.0283 -0.0381 0.0201 323 GLU D N ? ? 1 +16073 C CA A GLU D 313 0.1419 0.7506 0.7921 -0.0272 -0.0410 0.0191 323 GLU D CA ? ? 1 +16074 C CA B GLU D 313 0.1370 0.7457 0.7872 -0.0272 -0.0410 0.0190 323 GLU D CA ? ? 1 +16075 C C A GLU D 313 0.1499 0.7527 0.7935 -0.0264 -0.0417 0.0171 323 GLU D C ? ? 1 +16076 C C B GLU D 313 0.1456 0.7483 0.7891 -0.0264 -0.0417 0.0171 323 GLU D C ? ? 1 +16077 O O A GLU D 313 0.1552 0.7563 0.7959 -0.0262 -0.0453 0.0154 323 GLU D O ? ? 1 +16078 O O B GLU D 313 0.1507 0.7517 0.7913 -0.0261 -0.0454 0.0154 323 GLU D O ? ? 1 +16079 C CB A GLU D 313 0.1435 0.7509 0.7895 -0.0258 -0.0395 0.0204 323 GLU D CB ? ? 1 +16080 C CB B GLU D 313 0.1388 0.7460 0.7846 -0.0258 -0.0395 0.0204 323 GLU D CB ? ? 1 +16081 C CG A GLU D 313 0.1366 0.7494 0.7886 -0.0265 -0.0393 0.0221 323 GLU D CG ? ? 1 +16082 C CG B GLU D 313 0.1322 0.7448 0.7838 -0.0264 -0.0395 0.0220 323 GLU D CG ? ? 1 +16083 C CD A GLU D 313 0.1370 0.7486 0.7860 -0.0257 -0.0367 0.0237 323 GLU D CD ? ? 1 +16084 C CD B GLU D 313 0.1325 0.7439 0.7812 -0.0257 -0.0368 0.0236 323 GLU D CD ? ? 1 +16085 O OE1 A GLU D 313 0.1443 0.7504 0.7856 -0.0246 -0.0351 0.0236 323 GLU D OE1 ? ? 1 +16086 O OE1 B GLU D 313 0.1399 0.7458 0.7809 -0.0245 -0.0351 0.0235 323 GLU D OE1 ? ? 1 +16087 O OE2 A GLU D 313 0.1312 0.7470 0.7851 -0.0264 -0.0361 0.0250 323 GLU D OE2 ? ? 1 +16088 O OE2 B GLU D 313 0.1267 0.7423 0.7805 -0.0264 -0.0361 0.0250 323 GLU D OE2 ? ? 1 +16089 N N A GLY D 314 0.1501 0.7501 0.7917 -0.0261 -0.0382 0.0173 324 GLY D N ? ? 1 +16090 N N B GLY D 314 0.1463 0.7461 0.7876 -0.0260 -0.0382 0.0172 324 GLY D N ? ? 1 +16091 C CA A GLY D 314 0.1570 0.7510 0.7923 -0.0253 -0.0383 0.0154 324 GLY D CA ? ? 1 +16092 C CA B GLY D 314 0.1536 0.7475 0.7887 -0.0253 -0.0383 0.0154 324 GLY D CA ? ? 1 +16093 C C A GLY D 314 0.1561 0.7505 0.7947 -0.0267 -0.0410 0.0138 324 GLY D C ? ? 1 +16094 C C B GLY D 314 0.1531 0.7475 0.7917 -0.0267 -0.0410 0.0137 324 GLY D C ? ? 1 +16095 O O A GLY D 314 0.1635 0.7541 0.7975 -0.0265 -0.0438 0.0117 324 GLY D O ? ? 1 +16096 O O B GLY D 314 0.1604 0.7511 0.7945 -0.0265 -0.0438 0.0117 324 GLY D O ? ? 1 +16097 N N A ILE D 315 0.1479 0.7465 0.7943 -0.0282 -0.0401 0.0146 325 ILE D N ? ? 1 +16098 N N B ILE D 315 0.1455 0.7441 0.7919 -0.0282 -0.0401 0.0146 325 ILE D N ? ? 1 +16099 C CA A ILE D 315 0.1471 0.7460 0.7972 -0.0300 -0.0422 0.0133 325 ILE D CA ? ? 1 +16100 C CA B ILE D 315 0.1455 0.7444 0.7956 -0.0300 -0.0422 0.0133 325 ILE D CA ? ? 1 +16101 C C A ILE D 315 0.1474 0.7480 0.7985 -0.0311 -0.0468 0.0119 325 ILE D C ? ? 1 +16102 C C B ILE D 315 0.1465 0.7471 0.7976 -0.0311 -0.0468 0.0119 325 ILE D C ? ? 1 +16103 O O A ILE D 315 0.1527 0.7503 0.8015 -0.0318 -0.0493 0.0097 325 ILE D O ? ? 1 +16104 O O B ILE D 315 0.1518 0.7494 0.8006 -0.0318 -0.0493 0.0097 325 ILE D O ? ? 1 +16105 C CB A ILE D 315 0.1397 0.7430 0.7978 -0.0313 -0.0405 0.0149 325 ILE D CB ? ? 1 +16106 C CB B ILE D 315 0.1384 0.7415 0.7963 -0.0313 -0.0405 0.0149 325 ILE D CB ? ? 1 +16107 C CG1 A ILE D 315 0.1391 0.7408 0.7966 -0.0300 -0.0365 0.0158 325 ILE D CG1 ? ? 1 +16108 C CG1 B ILE D 315 0.1380 0.7392 0.7952 -0.0300 -0.0365 0.0156 325 ILE D CG1 ? ? 1 +16109 C CG2 A ILE D 315 0.1396 0.7433 0.8017 -0.0335 -0.0427 0.0138 325 ILE D CG2 ? ? 1 +16110 C CG2 B ILE D 315 0.1381 0.7418 0.8002 -0.0336 -0.0428 0.0137 325 ILE D CG2 ? ? 1 +16111 C CD1 A ILE D 315 0.1319 0.7380 0.7963 -0.0308 -0.0349 0.0176 325 ILE D CD1 ? ? 1 +16112 C CD1 B ILE D 315 0.1309 0.7364 0.7949 -0.0307 -0.0349 0.0174 325 ILE D CD1 ? ? 1 +16113 N N . ARG D 316 0.1417 0.7472 0.7962 -0.0312 -0.0479 0.0130 326 ARG D N ? ? 1 +16114 C CA . ARG D 316 0.1423 0.7510 0.7993 -0.0321 -0.0522 0.0117 326 ARG D CA ? ? 1 +16115 C CB . ARG D 316 0.1353 0.7496 0.7966 -0.0318 -0.0525 0.0133 326 ARG D CB ? ? 1 +16116 C CG . ARG D 316 0.1264 0.7459 0.7959 -0.0335 -0.0505 0.0150 326 ARG D CG ? ? 1 +16117 C CD . ARG D 316 0.1211 0.7464 0.7953 -0.0335 -0.0517 0.0160 326 ARG D CD ? ? 1 +16118 N NE . ARG D 316 0.1223 0.7467 0.7922 -0.0312 -0.0509 0.0173 326 ARG D NE ? ? 1 +16119 C CZ . ARG D 316 0.1182 0.7437 0.7890 -0.0308 -0.0478 0.0194 326 ARG D CZ ? ? 1 +16120 N NH1 . ARG D 316 0.1136 0.7406 0.7887 -0.0320 -0.0450 0.0206 326 ARG D NH1 ? ? 1 +16121 N NH2 . ARG D 316 0.1192 0.7438 0.7862 -0.0291 -0.0475 0.0203 326 ARG D NH2 ? ? 1 +16122 C C . ARG D 316 0.1516 0.7558 0.8011 -0.0307 -0.0554 0.0094 326 ARG D C ? ? 1 +16123 O O . ARG D 316 0.1549 0.7593 0.8055 -0.0320 -0.0589 0.0071 326 ARG D O ? ? 1 +16124 N N . ALA D 317 0.1557 0.7558 0.7974 -0.0283 -0.0542 0.0100 327 ALA D N ? ? 1 +16125 C CA . ALA D 317 0.1635 0.7590 0.7970 -0.0265 -0.0573 0.0082 327 ALA D CA ? ? 1 +16126 C CB . ALA D 317 0.1682 0.7601 0.7941 -0.0239 -0.0553 0.0097 327 ALA D CB ? ? 1 +16127 C C . ALA D 317 0.1699 0.7596 0.7983 -0.0267 -0.0579 0.0059 327 ALA D C ? ? 1 +16128 O O . ALA D 317 0.1765 0.7641 0.8013 -0.0264 -0.0621 0.0035 327 ALA D O ? ? 1 +16129 N N A TRP D 318 0.1683 0.7555 0.7967 -0.0271 -0.0540 0.0066 328 TRP D N ? ? 1 +16130 N N B TRP D 318 0.1681 0.7552 0.7964 -0.0271 -0.0540 0.0066 328 TRP D N ? ? 1 +16131 C CA A TRP D 318 0.1750 0.7557 0.7977 -0.0269 -0.0539 0.0046 328 TRP D CA ? ? 1 +16132 C CA B TRP D 318 0.1746 0.7553 0.7973 -0.0269 -0.0539 0.0046 328 TRP D CA ? ? 1 +16133 C C A TRP D 318 0.1746 0.7563 0.8025 -0.0295 -0.0560 0.0028 328 TRP D C ? ? 1 +16134 C C B TRP D 318 0.1743 0.7560 0.8023 -0.0295 -0.0560 0.0028 328 TRP D C ? ? 1 +16135 O O A TRP D 318 0.1825 0.7591 0.8056 -0.0297 -0.0578 0.0003 328 TRP D O ? ? 1 +16136 O O B TRP D 318 0.1821 0.7587 0.8052 -0.0297 -0.0579 0.0003 328 TRP D O ? ? 1 +16137 C CB A TRP D 318 0.1751 0.7524 0.7947 -0.0257 -0.0485 0.0059 328 TRP D CB ? ? 1 +16138 C CB B TRP D 318 0.1744 0.7517 0.7941 -0.0257 -0.0485 0.0059 328 TRP D CB ? ? 1 +16139 C CG A TRP D 318 0.1790 0.7524 0.7903 -0.0232 -0.0465 0.0067 328 TRP D CG ? ? 1 +16140 C CG B TRP D 318 0.1781 0.7514 0.7895 -0.0232 -0.0465 0.0067 328 TRP D CG ? ? 1 +16141 C CD1 A TRP D 318 0.1752 0.7511 0.7868 -0.0224 -0.0452 0.0088 328 TRP D CD1 ? ? 1 +16142 C CD1 B TRP D 318 0.1742 0.7501 0.7858 -0.0224 -0.0452 0.0087 328 TRP D CD1 ? ? 1 +16143 C CD2 A TRP D 318 0.1886 0.7543 0.7896 -0.0213 -0.0456 0.0054 328 TRP D CD2 ? ? 1 +16144 C CD2 B TRP D 318 0.1873 0.7530 0.7884 -0.0213 -0.0456 0.0054 328 TRP D CD2 ? ? 1 +16145 N NE1 A TRP D 318 0.1825 0.7526 0.7845 -0.0203 -0.0433 0.0089 328 TRP D NE1 ? ? 1 +16146 N NE1 B TRP D 318 0.1814 0.7515 0.7834 -0.0203 -0.0434 0.0088 328 TRP D NE1 ? ? 1 +16147 C CE2 A TRP D 318 0.1908 0.7546 0.7861 -0.0195 -0.0435 0.0069 328 TRP D CE2 ? ? 1 +16148 C CE2 B TRP D 318 0.1896 0.7534 0.7849 -0.0195 -0.0435 0.0068 328 TRP D CE2 ? ? 1 +16149 C CE3 A TRP D 318 0.1965 0.7561 0.7920 -0.0209 -0.0461 0.0031 328 TRP D CE3 ? ? 1 +16150 C CE3 B TRP D 318 0.1952 0.7549 0.7909 -0.0210 -0.0461 0.0031 328 TRP D CE3 ? ? 1 +16151 C CZ2 A TRP D 318 0.2009 0.7571 0.7852 -0.0174 -0.0417 0.0062 328 TRP D CZ2 ? ? 1 +16152 C CZ2 B TRP D 318 0.1997 0.7559 0.7840 -0.0174 -0.0418 0.0061 328 TRP D CZ2 ? ? 1 +16153 C CZ3 A TRP D 318 0.2061 0.7584 0.7907 -0.0187 -0.0445 0.0023 328 TRP D CZ3 ? ? 1 +16154 C CZ3 B TRP D 318 0.2047 0.7571 0.7896 -0.0187 -0.0445 0.0023 328 TRP D CZ3 ? ? 1 +16155 C CH2 A TRP D 318 0.2083 0.7589 0.7874 -0.0170 -0.0423 0.0039 328 TRP D CH2 ? ? 1 +16156 C CH2 B TRP D 318 0.2070 0.7577 0.7862 -0.0170 -0.0423 0.0039 328 TRP D CH2 ? ? 1 +16157 N N . MET D 319 0.1665 0.7542 0.8039 -0.0317 -0.0555 0.0039 329 MET D N ? ? 1 +16158 C CA . MET D 319 0.1676 0.7559 0.8100 -0.0345 -0.0571 0.0024 329 MET D CA ? ? 1 +16159 C CB . MET D 319 0.1615 0.7520 0.8102 -0.0357 -0.0534 0.0045 329 MET D CB ? ? 1 +16160 C CG . MET D 319 0.1538 0.7517 0.8114 -0.0377 -0.0539 0.0059 329 MET D CG ? ? 1 +16161 S SD . MET D 319 0.1475 0.7470 0.8115 -0.0390 -0.0501 0.0082 329 MET D SD ? ? 1 +16162 C CE . MET D 319 0.1540 0.7483 0.8173 -0.0413 -0.0511 0.0059 329 MET D CE ? ? 1 +16163 C C . MET D 319 0.1690 0.7619 0.8162 -0.0366 -0.0617 0.0007 329 MET D C ? ? 1 +16164 O O . MET D 319 0.1721 0.7643 0.8216 -0.0390 -0.0637 -0.0014 329 MET D O ? ? 1 +16165 N N . ALA D 320 0.1668 0.7647 0.8158 -0.0356 -0.0635 0.0014 330 ALA D N ? ? 1 +16166 C CA . ALA D 320 0.1650 0.7692 0.8211 -0.0376 -0.0671 0.0002 330 ALA D CA ? ? 1 +16167 C CB . ALA D 320 0.1606 0.7702 0.8188 -0.0358 -0.0678 0.0018 330 ALA D CB ? ? 1 +16168 C C . ALA D 320 0.1734 0.7761 0.8274 -0.0384 -0.0720 -0.0035 330 ALA D C ? ? 1 +16169 O O . ALA D 320 0.1738 0.7801 0.8346 -0.0415 -0.0741 -0.0052 330 ALA D O ? ? 1 +16170 N N . PRO D 321 0.1815 0.7787 0.8261 -0.0360 -0.0741 -0.0050 331 PRO D N ? ? 1 +16171 C CA . PRO D 321 0.1883 0.7836 0.8303 -0.0366 -0.0791 -0.0087 331 PRO D CA ? ? 1 +16172 C CB . PRO D 321 0.1968 0.7850 0.8266 -0.0329 -0.0799 -0.0092 331 PRO D CB ? ? 1 +16173 C CG . PRO D 321 0.1923 0.7814 0.8204 -0.0304 -0.0764 -0.0057 331 PRO D CG ? ? 1 +16174 C CD . PRO D 321 0.1842 0.7765 0.8199 -0.0324 -0.0718 -0.0033 331 PRO D CD ? ? 1 +16175 C C . PRO D 321 0.1913 0.7836 0.8351 -0.0399 -0.0791 -0.0108 331 PRO D C ? ? 1 +16176 O O . PRO D 321 0.1939 0.7896 0.8431 -0.0426 -0.0827 -0.0134 331 PRO D O ? ? 1 +16177 N N . GLN D 322 0.1918 0.7780 0.8317 -0.0398 -0.0751 -0.0098 332 GLN D N ? ? 1 +16178 C CA . GLN D 322 0.1958 0.7778 0.8363 -0.0425 -0.0748 -0.0116 332 GLN D CA ? ? 1 +16179 C CB . GLN D 322 0.2033 0.7766 0.8356 -0.0407 -0.0711 -0.0110 332 GLN D CB ? ? 1 +16180 C CG . GLN D 322 0.2126 0.7800 0.8336 -0.0371 -0.0718 -0.0118 332 GLN D CG ? ? 1 +16181 C CD . GLN D 322 0.2092 0.7792 0.8285 -0.0340 -0.0697 -0.0089 332 GLN D CD ? ? 1 +16182 O OE1 . GLN D 322 0.1998 0.7754 0.8258 -0.0343 -0.0671 -0.0061 332 GLN D OE1 ? ? 1 +16183 N NE2 . GLN D 322 0.2179 0.7833 0.8276 -0.0310 -0.0709 -0.0096 332 GLN D NE2 ? ? 1 +16184 C C . GLN D 322 0.1867 0.7735 0.8375 -0.0461 -0.0729 -0.0105 332 GLN D C ? ? 1 +16185 O O . GLN D 322 0.1894 0.7747 0.8429 -0.0493 -0.0739 -0.0125 332 GLN D O ? ? 1 +16186 N N . ASP D 323 0.1765 0.7686 0.8325 -0.0455 -0.0700 -0.0073 333 ASP D N ? ? 1 +16187 C CA . ASP D 323 0.1693 0.7654 0.8340 -0.0485 -0.0677 -0.0058 333 ASP D CA ? ? 1 +16188 C CB . ASP D 323 0.1595 0.7573 0.8253 -0.0465 -0.0634 -0.0020 333 ASP D CB ? ? 1 +16189 C CG . ASP D 323 0.1522 0.7524 0.8249 -0.0489 -0.0606 -0.0002 333 ASP D CG ? ? 1 +16190 O OD1 . ASP D 323 0.1545 0.7500 0.8267 -0.0506 -0.0593 -0.0007 333 ASP D OD1 ? ? 1 +16191 O OD2 . ASP D 323 0.1438 0.7503 0.8220 -0.0488 -0.0595 0.0019 333 ASP D OD2 ? ? 1 +16192 C C . ASP D 323 0.1675 0.7717 0.8412 -0.0513 -0.0705 -0.0069 333 ASP D C ? ? 1 +16193 O O . ASP D 323 0.1627 0.7690 0.8431 -0.0547 -0.0693 -0.0067 333 ASP D O ? ? 1 +16194 N N . GLN D 324 0.1713 0.7798 0.8449 -0.0497 -0.0741 -0.0078 334 GLN D N ? ? 1 +16195 C CA . GLN D 324 0.1722 0.7891 0.8542 -0.0516 -0.0772 -0.0092 334 GLN D CA ? ? 1 +16196 C CB . GLN D 324 0.1662 0.7894 0.8514 -0.0493 -0.0761 -0.0064 334 GLN D CB ? ? 1 +16197 C CG . GLN D 324 0.1600 0.7833 0.8473 -0.0493 -0.0709 -0.0028 334 GLN D CG ? ? 1 +16198 C CD . GLN D 324 0.1543 0.7835 0.8448 -0.0473 -0.0701 -0.0004 334 GLN D CD ? ? 1 +16199 O OE1 . GLN D 324 0.1539 0.7899 0.8501 -0.0478 -0.0725 -0.0013 334 GLN D OE1 ? ? 1 +16200 N NE2 . GLN D 324 0.1528 0.7798 0.8398 -0.0451 -0.0667 0.0024 334 GLN D NE2 ? ? 1 +16201 C C . GLN D 324 0.1804 0.7973 0.8595 -0.0511 -0.0828 -0.0129 334 GLN D C ? ? 1 +16202 O O . GLN D 324 0.1795 0.8000 0.8576 -0.0485 -0.0857 -0.0132 334 GLN D O ? ? 1 +16203 N N . PRO D 325 0.1914 0.8035 0.8683 -0.0534 -0.0847 -0.0160 335 PRO D N ? ? 1 +16204 C CA . PRO D 325 0.2027 0.8136 0.8753 -0.0526 -0.0902 -0.0197 335 PRO D CA ? ? 1 +16205 C CB . PRO D 325 0.2090 0.8133 0.8793 -0.0558 -0.0904 -0.0223 335 PRO D CB ? ? 1 +16206 C CG . PRO D 325 0.2028 0.8078 0.8799 -0.0593 -0.0858 -0.0204 335 PRO D CG ? ? 1 +16207 C CD . PRO D 325 0.1936 0.8010 0.8716 -0.0568 -0.0817 -0.0160 335 PRO D CD ? ? 1 +16208 C C . PRO D 325 0.2050 0.8253 0.8855 -0.0536 -0.0949 -0.0220 335 PRO D C ? ? 1 +16209 O O . PRO D 325 0.2086 0.8293 0.8850 -0.0512 -0.0997 -0.0242 335 PRO D O ? ? 1 +16210 N N . HIS D 326 0.2035 0.8314 0.8952 -0.0569 -0.0936 -0.0215 336 HIS D N ? ? 1 +16211 C CA . HIS D 326 0.2072 0.8450 0.9079 -0.0580 -0.0975 -0.0236 336 HIS D CA ? ? 1 +16212 C CB . HIS D 326 0.2013 0.8456 0.9136 -0.0624 -0.0944 -0.0228 336 HIS D CB ? ? 1 +16213 C CG . HIS D 326 0.1931 0.8374 0.9062 -0.0613 -0.0889 -0.0182 336 HIS D CG ? ? 1 +16214 N ND1 . HIS D 326 0.1933 0.8300 0.9018 -0.0619 -0.0843 -0.0159 336 HIS D ND1 ? ? 1 +16215 C CE1 . HIS D 326 0.1866 0.8257 0.8971 -0.0606 -0.0805 -0.0122 336 HIS D CE1 ? ? 1 +16216 N NE2 . HIS D 326 0.1810 0.8284 0.8969 -0.0592 -0.0822 -0.0120 336 HIS D NE2 ? ? 1 +16217 C CD2 . HIS D 326 0.1858 0.8367 0.9035 -0.0595 -0.0875 -0.0158 336 HIS D CD2 ? ? 1 +16218 C C . HIS D 326 0.2083 0.8511 0.9082 -0.0534 -0.0991 -0.0221 336 HIS D C ? ? 1 +16219 O O . HIS D 326 0.2074 0.8580 0.9131 -0.0531 -0.1034 -0.0244 336 HIS D O ? ? 1 +16220 N N . GLU D 327 0.2078 0.8464 0.9013 -0.0501 -0.0956 -0.0184 337 GLU D N ? ? 1 +16221 C CA . GLU D 327 0.2118 0.8533 0.9031 -0.0457 -0.0966 -0.0167 337 GLU D CA ? ? 1 +16222 C CB . GLU D 327 0.2099 0.8486 0.8983 -0.0440 -0.0909 -0.0122 337 GLU D CB ? ? 1 +16223 C CG . GLU D 327 0.2058 0.8506 0.9040 -0.0465 -0.0872 -0.0100 337 GLU D CG ? ? 1 +16224 C CD . GLU D 327 0.2029 0.8570 0.9086 -0.0455 -0.0887 -0.0097 337 GLU D CD ? ? 1 +16225 O OE1 . GLU D 327 0.2107 0.8667 0.9140 -0.0425 -0.0929 -0.0112 337 GLU D OE1 ? ? 1 +16226 O OE2 . GLU D 327 0.1951 0.8542 0.9085 -0.0475 -0.0856 -0.0080 337 GLU D OE2 ? ? 1 +16227 C C . GLU D 327 0.2234 0.8600 0.9044 -0.0418 -0.1009 -0.0184 337 GLU D C ? ? 1 +16228 O O . GLU D 327 0.2233 0.8619 0.9018 -0.0380 -0.1029 -0.0178 337 GLU D O ? ? 1 +16229 N N . ASN D 328 0.2371 0.8665 0.9113 -0.0424 -0.1023 -0.0206 338 ASN D N ? ? 1 +16230 C CA . ASN D 328 0.2544 0.8778 0.9175 -0.0387 -0.1061 -0.0223 338 ASN D CA ? ? 1 +16231 C CB . ASN D 328 0.2755 0.9056 0.9428 -0.0383 -0.1128 -0.0258 338 ASN D CB ? ? 1 +16232 C CG . ASN D 328 0.3057 0.9307 0.9672 -0.0388 -0.1170 -0.0297 338 ASN D CG ? ? 1 +16233 O OD1 . ASN D 328 0.3377 0.9544 0.9867 -0.0353 -0.1181 -0.0298 338 ASN D OD1 ? ? 1 +16234 N ND2 . ASN D 328 0.3109 0.9399 0.9808 -0.0436 -0.1188 -0.0328 338 ASN D ND2 ? ? 1 +16235 C C . ASN D 328 0.2465 0.8655 0.9006 -0.0340 -0.1039 -0.0190 338 ASN D C ? ? 1 +16236 O O . ASN D 328 0.2464 0.8646 0.8946 -0.0303 -0.1076 -0.0197 338 ASN D O ? ? 1 +16237 N N . PHE D 329 0.2396 0.8555 0.8925 -0.0342 -0.0978 -0.0155 339 PHE D N ? ? 1 +16238 C CA . PHE D 329 0.2374 0.8486 0.8817 -0.0303 -0.0951 -0.0124 339 PHE D CA ? ? 1 +16239 C CB . PHE D 329 0.2252 0.8354 0.8716 -0.0313 -0.0884 -0.0088 339 PHE D CB ? ? 1 +16240 C CG . PHE D 329 0.2104 0.8291 0.8683 -0.0333 -0.0866 -0.0070 339 PHE D CG ? ? 1 +16241 C CD1 . PHE D 329 0.2045 0.8295 0.8662 -0.0316 -0.0886 -0.0065 339 PHE D CD1 ? ? 1 +16242 C CD2 . PHE D 329 0.2024 0.8223 0.8665 -0.0366 -0.0827 -0.0059 339 PHE D CD2 ? ? 1 +16243 C CE1 . PHE D 329 0.1931 0.8255 0.8647 -0.0333 -0.0866 -0.0049 339 PHE D CE1 ? ? 1 +16244 C CE2 . PHE D 329 0.1921 0.8193 0.8658 -0.0383 -0.0809 -0.0042 339 PHE D CE2 ? ? 1 +16245 C CZ . PHE D 329 0.1875 0.8209 0.8650 -0.0367 -0.0828 -0.0037 339 PHE D CZ ? ? 1 +16246 C C . PHE D 329 0.2502 0.8518 0.8813 -0.0277 -0.0965 -0.0138 339 PHE D C ? ? 1 +16247 O O . PHE D 329 0.2560 0.8525 0.8841 -0.0294 -0.0961 -0.0154 339 PHE D O ? ? 1 +16248 N N . VAL D 330 0.2570 0.8562 0.8803 -0.0236 -0.0987 -0.0134 340 VAL D N ? ? 1 +16249 C CA . VAL D 330 0.2682 0.8574 0.8774 -0.0205 -0.0989 -0.0137 340 VAL D CA ? ? 1 +16250 C CB . VAL D 330 0.2796 0.8675 0.8832 -0.0183 -0.1059 -0.0172 340 VAL D CB ? ? 1 +16251 C CG1 . VAL D 330 0.2923 0.8691 0.8799 -0.0147 -0.1058 -0.0173 340 VAL D CG1 ? ? 1 +16252 C CG2 . VAL D 330 0.2815 0.8726 0.8914 -0.0218 -0.1099 -0.0212 340 VAL D CG2 ? ? 1 +16253 C C . VAL D 330 0.2679 0.8539 0.8713 -0.0176 -0.0946 -0.0100 340 VAL D C ? ? 1 +16254 O O . VAL D 330 0.2685 0.8569 0.8712 -0.0151 -0.0964 -0.0090 340 VAL D O ? ? 1 +16255 N N . PHE D 331 0.2655 0.8462 0.8651 -0.0181 -0.0888 -0.0079 341 PHE D N ? ? 1 +16256 C CA . PHE D 331 0.2637 0.8409 0.8578 -0.0159 -0.0841 -0.0046 341 PHE D CA ? ? 1 +16257 C CB . PHE D 331 0.2572 0.8370 0.8582 -0.0183 -0.0780 -0.0020 341 PHE D CB ? ? 1 +16258 C CG . PHE D 331 0.2469 0.8363 0.8613 -0.0208 -0.0780 -0.0011 341 PHE D CG ? ? 1 +16259 C CD1 . PHE D 331 0.2468 0.8427 0.8668 -0.0206 -0.0825 -0.0021 341 PHE D CD1 ? ? 1 +16260 C CD2 . PHE D 331 0.2376 0.8295 0.8589 -0.0233 -0.0734 0.0006 341 PHE D CD2 ? ? 1 +16261 C CE1 . PHE D 331 0.2365 0.8410 0.8684 -0.0229 -0.0821 -0.0013 341 PHE D CE1 ? ? 1 +16262 C CE2 . PHE D 331 0.2286 0.8286 0.8612 -0.0256 -0.0732 0.0015 341 PHE D CE2 ? ? 1 +16263 C CZ . PHE D 331 0.2284 0.8346 0.8662 -0.0255 -0.0773 0.0005 341 PHE D CZ ? ? 1 +16264 C C . PHE D 331 0.2745 0.8411 0.8541 -0.0133 -0.0832 -0.0050 341 PHE D C ? ? 1 +16265 O O . PHE D 331 0.2803 0.8422 0.8568 -0.0143 -0.0802 -0.0054 341 PHE D O ? ? 1 +16266 N N . PRO D 332 0.2790 0.8411 0.8488 -0.0096 -0.0857 -0.0050 342 PRO D N ? ? 1 +16267 C CA . PRO D 332 0.2885 0.8398 0.8436 -0.0071 -0.0841 -0.0051 342 PRO D CA ? ? 1 +16268 C CB . PRO D 332 0.2964 0.8449 0.8434 -0.0032 -0.0875 -0.0047 342 PRO D CB ? ? 1 +16269 C CG . PRO D 332 0.2906 0.8484 0.8477 -0.0036 -0.0927 -0.0057 342 PRO D CG ? ? 1 +16270 C CD . PRO D 332 0.2776 0.8442 0.8494 -0.0077 -0.0899 -0.0048 342 PRO D CD ? ? 1 +16271 C C . PRO D 332 0.2837 0.8314 0.8368 -0.0076 -0.0764 -0.0022 342 PRO D C ? ? 1 +16272 O O . PRO D 332 0.2700 0.8231 0.8312 -0.0091 -0.0728 0.0002 342 PRO D O ? ? 1 +16273 N N . GLU D 333 0.2927 0.8316 0.8351 -0.0065 -0.0739 -0.0027 343 GLU D N ? ? 1 +16274 C CA . GLU D 333 0.2917 0.8273 0.8320 -0.0069 -0.0665 -0.0005 343 GLU D CA ? ? 1 +16275 C CB . GLU D 333 0.3136 0.8384 0.8396 -0.0048 -0.0645 -0.0013 343 GLU D CB ? ? 1 +16276 C CG . GLU D 333 0.3282 0.8503 0.8526 -0.0055 -0.0669 -0.0045 343 GLU D CG ? ? 1 +16277 C CD . GLU D 333 0.3527 0.8645 0.8643 -0.0037 -0.0633 -0.0051 343 GLU D CD ? ? 1 +16278 O OE1 . GLU D 333 0.3643 0.8741 0.8743 -0.0036 -0.0566 -0.0028 343 GLU D OE1 ? ? 1 +16279 O OE2 . GLU D 333 0.3714 0.8774 0.8748 -0.0026 -0.0672 -0.0079 343 GLU D OE2 ? ? 1 +16280 C C . GLU D 333 0.2772 0.8144 0.8183 -0.0062 -0.0629 0.0029 343 GLU D C ? ? 1 +16281 O O . GLU D 333 0.2704 0.8117 0.8190 -0.0081 -0.0583 0.0048 343 GLU D O ? ? 1 +16282 N N . GLU D 334 0.2744 0.8082 0.8079 -0.0035 -0.0655 0.0034 344 GLU D N ? ? 1 +16283 C CA . GLU D 334 0.2660 0.7990 0.7975 -0.0025 -0.0621 0.0064 344 GLU D CA ? ? 1 +16284 C CB . GLU D 334 0.2770 0.8036 0.7967 0.0012 -0.0658 0.0063 344 GLU D CB ? ? 1 +16285 C CG . GLU D 334 0.2746 0.8069 0.7991 0.0023 -0.0734 0.0046 344 GLU D CG ? ? 1 +16286 C CD . GLU D 334 0.2871 0.8122 0.7986 0.0064 -0.0780 0.0037 344 GLU D CD ? ? 1 +16287 O OE1 . GLU D 334 0.2970 0.8149 0.7985 0.0079 -0.0798 0.0017 344 GLU D OE1 ? ? 1 +16288 O OE2 . GLU D 334 0.2867 0.8126 0.7973 0.0085 -0.0798 0.0051 344 GLU D OE2 ? ? 1 +16289 C C . GLU D 334 0.2475 0.7901 0.7920 -0.0044 -0.0615 0.0082 344 GLU D C ? ? 1 +16290 O O . GLU D 334 0.2467 0.7887 0.7904 -0.0042 -0.0578 0.0107 344 GLU D O ? ? 1 +16291 N N . VAL D 335 0.2337 0.7847 0.7898 -0.0065 -0.0649 0.0068 345 VAL D N ? ? 1 +16292 C CA . VAL D 335 0.2176 0.7775 0.7858 -0.0083 -0.0642 0.0084 345 VAL D CA ? ? 1 +16293 C CB . VAL D 335 0.2129 0.7804 0.7895 -0.0086 -0.0705 0.0067 345 VAL D CB ? ? 1 +16294 C CG1 . VAL D 335 0.2237 0.7875 0.7917 -0.0052 -0.0760 0.0053 345 VAL D CG1 ? ? 1 +16295 C CG2 . VAL D 335 0.2083 0.7802 0.7927 -0.0113 -0.0724 0.0044 345 VAL D CG2 ? ? 1 +16296 C C . VAL D 335 0.2043 0.7685 0.7817 -0.0114 -0.0597 0.0092 345 VAL D C ? ? 1 +16297 O O . VAL D 335 0.1940 0.7646 0.7804 -0.0130 -0.0580 0.0109 345 VAL D O ? ? 1 +16298 N N . LEU D 336 0.2053 0.7662 0.7805 -0.0122 -0.0583 0.0079 346 LEU D N ? ? 1 +16299 C CA . LEU D 336 0.1972 0.7616 0.7803 -0.0147 -0.0542 0.0086 346 LEU D CA ? ? 1 +16300 C CB . LEU D 336 0.2029 0.7624 0.7820 -0.0150 -0.0535 0.0066 346 LEU D CB ? ? 1 +16301 C CG . LEU D 336 0.2047 0.7654 0.7862 -0.0160 -0.0588 0.0036 346 LEU D CG ? ? 1 +16302 C CD1 . LEU D 336 0.2115 0.7663 0.7877 -0.0160 -0.0578 0.0017 346 LEU D CD1 ? ? 1 +16303 C CD2 . LEU D 336 0.1935 0.7629 0.7881 -0.0187 -0.0600 0.0038 346 LEU D CD2 ? ? 1 +16304 C C . LEU D 336 0.1932 0.7571 0.7762 -0.0148 -0.0481 0.0113 346 LEU D C ? ? 1 +16305 O O . LEU D 336 0.2004 0.7577 0.7738 -0.0131 -0.0454 0.0120 346 LEU D O ? ? 1 +16306 N N A PRO D 337 0.1816 0.7525 0.7750 -0.0167 -0.0460 0.0129 347 PRO D N ? ? 1 +16307 N N B PRO D 337 0.1820 0.7529 0.7754 -0.0167 -0.0460 0.0129 347 PRO D N ? ? 1 +16308 C CA A PRO D 337 0.1779 0.7492 0.7723 -0.0171 -0.0404 0.0151 347 PRO D CA ? ? 1 +16309 C CA B PRO D 337 0.1783 0.7496 0.7727 -0.0171 -0.0404 0.0152 347 PRO D CA ? ? 1 +16310 C C A PRO D 337 0.1796 0.7479 0.7722 -0.0174 -0.0361 0.0147 347 PRO D C ? ? 1 +16311 C C B PRO D 337 0.1801 0.7483 0.7727 -0.0174 -0.0361 0.0147 347 PRO D C ? ? 1 +16312 O O A PRO D 337 0.1762 0.7464 0.7737 -0.0184 -0.0365 0.0136 347 PRO D O ? ? 1 +16313 O O B PRO D 337 0.1763 0.7467 0.7739 -0.0184 -0.0366 0.0136 347 PRO D O ? ? 1 +16314 C CB A PRO D 337 0.1662 0.7460 0.7725 -0.0190 -0.0404 0.0164 347 PRO D CB ? ? 1 +16315 C CB B PRO D 337 0.1668 0.7466 0.7730 -0.0190 -0.0405 0.0164 347 PRO D CB ? ? 1 +16316 C CG A PRO D 337 0.1633 0.7467 0.7754 -0.0202 -0.0444 0.0146 347 PRO D CG ? ? 1 +16317 C CG B PRO D 337 0.1638 0.7472 0.7759 -0.0202 -0.0446 0.0147 347 PRO D CG ? ? 1 +16318 C CD A PRO D 337 0.1724 0.7511 0.7769 -0.0186 -0.0488 0.0125 347 PRO D CD ? ? 1 +16319 C CD B PRO D 337 0.1728 0.7515 0.7772 -0.0186 -0.0488 0.0125 347 PRO D CD ? ? 1 +16320 N N A ARG D 338 0.1854 0.7485 0.7706 -0.0163 -0.0318 0.0156 348 ARG D N ? ? 1 +16321 N N B ARG D 338 0.1860 0.7491 0.7712 -0.0163 -0.0318 0.0156 348 ARG D N ? ? 1 +16322 C CA A ARG D 338 0.1877 0.7482 0.7712 -0.0163 -0.0270 0.0153 348 ARG D CA ? ? 1 +16323 C CA B ARG D 338 0.1884 0.7489 0.7718 -0.0163 -0.0270 0.0153 348 ARG D CA ? ? 1 +16324 C C A ARG D 338 0.1865 0.7466 0.7690 -0.0165 -0.0214 0.0172 348 ARG D C ? ? 1 +16325 C C B ARG D 338 0.1872 0.7471 0.7694 -0.0165 -0.0214 0.0172 348 ARG D C ? ? 1 +16326 O O A ARG D 338 0.1902 0.7476 0.7675 -0.0160 -0.0211 0.0183 348 ARG D O ? ? 1 +16327 O O B ARG D 338 0.1918 0.7485 0.7681 -0.0158 -0.0211 0.0183 348 ARG D O ? ? 1 +16328 C CB A ARG D 338 0.2003 0.7524 0.7726 -0.0145 -0.0276 0.0134 348 ARG D CB ? ? 1 +16329 C CB B ARG D 338 0.2012 0.7532 0.7733 -0.0145 -0.0277 0.0134 348 ARG D CB ? ? 1 +16330 C CG A ARG D 338 0.2029 0.7543 0.7745 -0.0143 -0.0336 0.0112 348 ARG D CG ? ? 1 +16331 C CG B ARG D 338 0.2036 0.7552 0.7754 -0.0143 -0.0336 0.0112 348 ARG D CG ? ? 1 +16332 C CD A ARG D 338 0.2163 0.7588 0.7756 -0.0123 -0.0345 0.0093 348 ARG D CD ? ? 1 +16333 C CD B ARG D 338 0.2171 0.7598 0.7767 -0.0123 -0.0347 0.0093 348 ARG D CD ? ? 1 +16334 N NE A ARG D 338 0.2198 0.7593 0.7775 -0.0122 -0.0309 0.0083 348 ARG D NE ? ? 1 +16335 N NE B ARG D 338 0.2209 0.7604 0.7784 -0.0122 -0.0309 0.0083 348 ARG D NE ? ? 1 +16336 C CZ A ARG D 338 0.2303 0.7628 0.7791 -0.0108 -0.0319 0.0061 348 ARG D CZ ? ? 1 +16337 C CZ B ARG D 338 0.2314 0.7639 0.7802 -0.0108 -0.0320 0.0061 348 ARG D CZ ? ? 1 +16338 N NH1 A ARG D 338 0.2388 0.7664 0.7795 -0.0095 -0.0367 0.0047 348 ARG D NH1 ? ? 1 +16339 N NH1 B ARG D 338 0.2401 0.7679 0.7808 -0.0095 -0.0368 0.0047 348 ARG D NH1 ? ? 1 +16340 N NH2 A ARG D 338 0.2327 0.7628 0.7808 -0.0106 -0.0283 0.0052 348 ARG D NH2 ? ? 1 +16341 N NH2 B ARG D 338 0.2337 0.7640 0.7819 -0.0107 -0.0285 0.0052 348 ARG D NH2 ? ? 1 +16342 N N A GLY D 339 0.1818 0.7446 0.7694 -0.0174 -0.0169 0.0174 349 GLY D N ? ? 1 +16343 N N B GLY D 339 0.1821 0.7448 0.7695 -0.0173 -0.0169 0.0174 349 GLY D N ? ? 1 +16344 C CA A GLY D 339 0.1823 0.7443 0.7685 -0.0177 -0.0111 0.0186 349 GLY D CA ? ? 1 +16345 C CA B GLY D 339 0.1823 0.7441 0.7682 -0.0177 -0.0111 0.0186 349 GLY D CA ? ? 1 +16346 C C A GLY D 339 0.1939 0.7472 0.7681 -0.0161 -0.0082 0.0178 349 GLY D C ? ? 1 +16347 C C B GLY D 339 0.1939 0.7469 0.7676 -0.0161 -0.0083 0.0179 349 GLY D C ? ? 1 +16348 O O A GLY D 339 0.2012 0.7491 0.7681 -0.0146 -0.0113 0.0163 349 GLY D O ? ? 1 +16349 O O B GLY D 339 0.2013 0.7488 0.7675 -0.0146 -0.0114 0.0165 349 GLY D O ? ? 1 +16350 N N A ASN D 340 0.1960 0.7478 0.7681 -0.0165 -0.0024 0.0187 350 ASN D N ? ? 1 +16351 N N B ASN D 340 0.1957 0.7473 0.7675 -0.0165 -0.0023 0.0188 350 ASN D N ? ? 1 +16352 C CA A ASN D 340 0.2076 0.7508 0.7680 -0.0151 0.0012 0.0182 350 ASN D CA ? ? 1 +16353 C CA B ASN D 340 0.2069 0.7501 0.7672 -0.0152 0.0013 0.0183 350 ASN D CA ? ? 1 +16354 C C A ASN D 340 0.2099 0.7518 0.7696 -0.0140 0.0018 0.0161 350 ASN D C ? ? 1 +16355 C C B ASN D 340 0.2090 0.7510 0.7688 -0.0141 0.0021 0.0163 350 ASN D C ? ? 1 +16356 O O A ASN D 340 0.2019 0.7501 0.7713 -0.0147 0.0024 0.0157 350 ASN D O ? ? 1 +16357 O O B ASN D 340 0.2009 0.7493 0.7705 -0.0148 0.0027 0.0158 350 ASN D O ? ? 1 +16358 C CB A ASN D 340 0.2094 0.7524 0.7694 -0.0163 0.0078 0.0195 350 ASN D CB ? ? 1 +16359 C CB B ASN D 340 0.2083 0.7515 0.7685 -0.0165 0.0079 0.0196 350 ASN D CB ? ? 1 +16360 C CG A ASN D 340 0.2235 0.7567 0.7700 -0.0151 0.0117 0.0194 350 ASN D CG ? ? 1 +16361 C CG B ASN D 340 0.2220 0.7556 0.7690 -0.0153 0.0119 0.0196 350 ASN D CG ? ? 1 +16362 O OD1 A ASN D 340 0.2321 0.7578 0.7678 -0.0136 0.0091 0.0195 350 ASN D OD1 ? ? 1 +16363 O OD1 B ASN D 340 0.2305 0.7567 0.7669 -0.0140 0.0096 0.0200 350 ASN D OD1 ? ? 1 +16364 N ND2 A ASN D 340 0.2263 0.7595 0.7732 -0.0155 0.0181 0.0190 350 ASN D ND2 ? ? 1 +16365 N ND2 B ASN D 340 0.2252 0.7586 0.7724 -0.0157 0.0183 0.0191 350 ASN D ND2 ? ? 1 +16366 N N A ALA D 341 0.2214 0.7545 0.7691 -0.0121 0.0013 0.0149 351 ALA D N ? ? 1 +16367 N N B ALA D 341 0.2205 0.7537 0.7683 -0.0122 0.0015 0.0150 351 ALA D N ? ? 1 +16368 C CA A ALA D 341 0.2270 0.7566 0.7711 -0.0108 0.0028 0.0130 351 ALA D CA ? ? 1 +16369 C CA B ALA D 341 0.2261 0.7560 0.7705 -0.0109 0.0031 0.0131 351 ALA D CA ? ? 1 +16370 C C A ALA D 341 0.2222 0.7543 0.7712 -0.0106 -0.0023 0.0113 351 ALA D C ? ? 1 +16371 C C B ALA D 341 0.2213 0.7536 0.7705 -0.0106 -0.0021 0.0114 351 ALA D C ? ? 1 +16372 O O A ALA D 341 0.2306 0.7566 0.7719 -0.0091 -0.0045 0.0094 351 ALA D O ? ? 1 +16373 O O B ALA D 341 0.2299 0.7559 0.7713 -0.0091 -0.0042 0.0095 351 ALA D O ? ? 1 +16374 C CB A ALA D 341 0.2246 0.7578 0.7742 -0.0114 0.0097 0.0131 351 ALA D CB ? ? 1 +16375 C CB B ALA D 341 0.2242 0.7574 0.7738 -0.0114 0.0100 0.0132 351 ALA D CB ? ? 1 +16376 N N A LEU D 342 0.2096 0.7503 0.7710 -0.0121 -0.0041 0.0118 352 LEU D N ? ? 1 +16377 N N B LEU D 342 0.2088 0.7495 0.7703 -0.0122 -0.0040 0.0119 352 LEU D N ? ? 1 +16378 C CA A LEU D 342 0.2054 0.7485 0.7721 -0.0123 -0.0082 0.0104 352 LEU D CA ? ? 1 +16379 C CA B LEU D 342 0.2046 0.7475 0.7711 -0.0123 -0.0083 0.0105 352 LEU D CA ? ? 1 +16380 C C A LEU D 342 0.2071 0.7480 0.7704 -0.0123 -0.0150 0.0095 352 LEU D C ? ? 1 +16381 C C B LEU D 342 0.2057 0.7469 0.7692 -0.0124 -0.0151 0.0098 352 LEU D C ? ? 1 +16382 O O A LEU D 342 0.2086 0.7479 0.7717 -0.0121 -0.0183 0.0077 352 LEU D O ? ? 1 +16383 O O B LEU D 342 0.2052 0.7464 0.7705 -0.0125 -0.0188 0.0082 352 LEU D O ? ? 1 +16384 C CB A LEU D 342 0.1927 0.7450 0.7729 -0.0139 -0.0079 0.0114 352 LEU D CB ? ? 1 +16385 C CB B LEU D 342 0.1918 0.7441 0.7719 -0.0139 -0.0079 0.0114 352 LEU D CB ? ? 1 +16386 C CG A LEU D 342 0.1899 0.7459 0.7754 -0.0138 -0.0020 0.0119 352 LEU D CG ? ? 1 +16387 C CG B LEU D 342 0.1890 0.7449 0.7744 -0.0137 -0.0021 0.0118 352 LEU D CG ? ? 1 +16388 C CD1 A LEU D 342 0.1787 0.7428 0.7765 -0.0148 -0.0029 0.0124 352 LEU D CD1 ? ? 1 +16389 C CD1 B LEU D 342 0.1781 0.7418 0.7755 -0.0147 -0.0031 0.0123 352 LEU D CD1 ? ? 1 +16390 C CD2 A LEU D 342 0.1988 0.7492 0.7781 -0.0119 0.0012 0.0101 352 LEU D CD2 ? ? 1 +16391 C CD2 B LEU D 342 0.1980 0.7483 0.7771 -0.0119 0.0011 0.0101 352 LEU D CD2 ? ? 1 +16392 O OXT A LEU D 342 0.2067 0.7474 0.7677 -0.0124 -0.0172 0.0106 352 LEU D OXT ? ? 1 +16393 O OXT B LEU D 342 0.2068 0.7467 0.7664 -0.0123 -0.0170 0.0107 352 LEU D OXT ? ? 1 +16394 N N . THR E 1 0.9329 1.0740 1.3217 -0.0190 0.0305 0.0796 4 THR E N ? ? 1 +16395 C CA . THR E 1 0.9446 1.0821 1.3374 -0.0284 0.0334 0.0765 4 THR E CA ? ? 1 +16396 C CB . THR E 1 0.9895 1.1026 1.3668 -0.0269 0.0353 0.0768 4 THR E CB ? ? 1 +16397 O OG1 . THR E 1 1.0105 1.1227 1.3934 -0.0355 0.0372 0.0732 4 THR E OG1 ? ? 1 +16398 C CG2 . THR E 1 1.0137 1.1045 1.3737 -0.0279 0.0402 0.0812 4 THR E CG2 ? ? 1 +16399 C C . THR E 1 0.9195 1.0587 1.3169 -0.0401 0.0388 0.0768 4 THR E C ? ? 1 +16400 O O . THR E 1 0.9128 1.0447 1.3028 -0.0414 0.0421 0.0803 4 THR E O ? ? 1 +16401 N N . THR E 2 0.8950 1.0432 1.3042 -0.0486 0.0395 0.0731 5 THR E N ? ? 1 +16402 C CA . THR E 2 0.8851 1.0378 1.3014 -0.0600 0.0442 0.0725 5 THR E CA ? ? 1 +16403 C CB . THR E 2 0.8590 1.0356 1.2947 -0.0643 0.0414 0.0686 5 THR E CB ? ? 1 +16404 O OG1 . THR E 2 0.8629 1.0411 1.3014 -0.0614 0.0376 0.0652 5 THR E OG1 ? ? 1 +16405 C CG2 . THR E 2 0.8418 1.0378 1.2867 -0.0596 0.0382 0.0696 5 THR E CG2 ? ? 1 +16406 C C . THR E 2 0.8966 1.0305 1.3050 -0.0683 0.0494 0.0719 5 THR E C ? ? 1 +16407 O O . THR E 2 0.8980 1.0327 1.3102 -0.0778 0.0541 0.0719 5 THR E O ? ? 1 +16408 N N . GLY E 3 0.8961 1.0132 1.2936 -0.0649 0.0488 0.0713 6 GLY E N ? ? 1 +16409 C CA . GLY E 3 0.8990 0.9960 1.2872 -0.0722 0.0538 0.0708 6 GLY E CA ? ? 1 +16410 C C . GLY E 3 0.8866 0.9838 1.2803 -0.0765 0.0525 0.0660 6 GLY E C ? ? 1 +16411 O O . GLY E 3 0.9028 0.9810 1.2865 -0.0803 0.0555 0.0655 6 GLY E O ? ? 1 +16412 N N . GLU E 4 0.8569 0.9752 1.2659 -0.0760 0.0479 0.0626 7 GLU E N ? ? 1 +16413 C CA . GLU E 4 0.8462 0.9661 1.2605 -0.0789 0.0459 0.0579 7 GLU E CA ? ? 1 +16414 C CB . GLU E 4 0.8193 0.9653 1.2524 -0.0805 0.0417 0.0544 7 GLU E CB ? ? 1 +16415 C CG . GLU E 4 0.8023 0.9635 1.2486 -0.0897 0.0440 0.0537 7 GLU E CG ? ? 1 +16416 C CD . GLU E 4 0.7864 0.9611 1.2377 -0.0863 0.0435 0.0569 7 GLU E CD ? ? 1 +16417 O OE1 . GLU E 4 0.7810 0.9541 1.2259 -0.0765 0.0411 0.0596 7 GLU E OE1 ? ? 1 +16418 O OE2 . GLU E 4 0.7868 0.9735 1.2485 -0.0934 0.0456 0.0564 7 GLU E OE2 ? ? 1 +16419 C C . GLU E 4 0.8464 0.9539 1.2496 -0.0692 0.0428 0.0578 7 GLU E C ? ? 1 +16420 O O . GLU E 4 0.8523 0.9577 1.2487 -0.0593 0.0407 0.0608 7 GLU E O ? ? 1 +16421 N N . ARG E 5 0.8400 0.9396 1.2414 -0.0719 0.0424 0.0542 8 ARG E N ? ? 1 +16422 C CA . ARG E 5 0.8380 0.9262 1.2297 -0.0632 0.0396 0.0536 8 ARG E CA ? ? 1 +16423 C CB . ARG E 5 0.8570 0.9327 1.2454 -0.0696 0.0410 0.0498 8 ARG E CB ? ? 1 +16424 C CG . ARG E 5 0.8774 0.9367 1.2531 -0.0615 0.0392 0.0490 8 ARG E CG ? ? 1 +16425 C CD . ARG E 5 0.8935 0.9399 1.2659 -0.0693 0.0411 0.0453 8 ARG E CD ? ? 1 +16426 N NE . ARG E 5 0.9048 0.9379 1.2669 -0.0619 0.0390 0.0438 8 ARG E NE ? ? 1 +16427 C CZ . ARG E 5 0.9120 0.9389 1.2736 -0.0658 0.0386 0.0395 8 ARG E CZ ? ? 1 +16428 N NH1 . ARG E 5 0.9068 0.9403 1.2779 -0.0771 0.0396 0.0360 8 ARG E NH1 ? ? 1 +16429 N NH2 . ARG E 5 0.9295 0.9436 1.2808 -0.0581 0.0368 0.0385 8 ARG E NH2 ? ? 1 +16430 C C . ARG E 5 0.8025 0.9097 1.2039 -0.0548 0.0338 0.0520 8 ARG E C ? ? 1 +16431 O O . ARG E 5 0.7802 0.9070 1.1966 -0.0587 0.0317 0.0492 8 ARG E O ? ? 1 +16432 N N . PRO E 6 0.7992 0.9019 1.1929 -0.0432 0.0310 0.0538 9 PRO E N ? ? 1 +16433 C CA . PRO E 6 0.7808 0.9014 1.1838 -0.0353 0.0258 0.0522 9 PRO E CA ? ? 1 +16434 C CB . PRO E 6 0.7894 0.8979 1.1796 -0.0233 0.0241 0.0547 9 PRO E CB ? ? 1 +16435 C CG . PRO E 6 0.8103 0.8993 1.1864 -0.0245 0.0282 0.0588 9 PRO E CG ? ? 1 +16436 C CD . PRO E 6 0.8211 0.9015 1.1968 -0.0369 0.0327 0.0573 9 PRO E CD ? ? 1 +16437 C C . PRO E 6 0.7751 0.9028 1.1859 -0.0376 0.0235 0.0472 9 PRO E C ? ? 1 +16438 O O . PRO E 6 0.7874 0.9000 1.1906 -0.0399 0.0248 0.0452 9 PRO E O ? ? 1 +16439 N N . PHE E 7 0.7608 0.9109 1.1860 -0.0367 0.0201 0.0453 10 PHE E N ? ? 1 +16440 C CA . PHE E 7 0.7601 0.9179 1.1927 -0.0385 0.0178 0.0406 10 PHE E CA ? ? 1 +16441 C CB . PHE E 7 0.7374 0.9206 1.1858 -0.0373 0.0144 0.0392 10 PHE E CB ? ? 1 +16442 C CG . PHE E 7 0.7317 0.9285 1.1920 -0.0470 0.0155 0.0386 10 PHE E CG ? ? 1 +16443 C CD1 . PHE E 7 0.7294 0.9264 1.1943 -0.0564 0.0164 0.0350 10 PHE E CD1 ? ? 1 +16444 C CD2 . PHE E 7 0.7205 0.9298 1.1872 -0.0467 0.0156 0.0414 10 PHE E CD2 ? ? 1 +16445 C CE1 . PHE E 7 0.7099 0.9197 1.1860 -0.0649 0.0173 0.0343 10 PHE E CE1 ? ? 1 +16446 C CE2 . PHE E 7 0.7041 0.9257 1.1816 -0.0553 0.0167 0.0407 10 PHE E CE2 ? ? 1 +16447 C CZ . PHE E 7 0.6998 0.9218 1.1822 -0.0642 0.0175 0.0372 10 PHE E CZ ? ? 1 +16448 C C . PHE E 7 0.7745 0.9203 1.1977 -0.0307 0.0162 0.0392 10 PHE E C ? ? 1 +16449 O O . PHE E 7 0.7868 0.9258 1.2082 -0.0341 0.0163 0.0357 10 PHE E O ? ? 1 +16450 N N . SER E 8 0.7781 0.9213 1.1953 -0.0200 0.0146 0.0417 11 SER E N ? ? 1 +16451 C CA . SER E 8 0.7911 0.9244 1.1999 -0.0112 0.0130 0.0405 11 SER E CA ? ? 1 +16452 C CB . SER E 8 0.7887 0.9247 1.1945 0.0004 0.0108 0.0435 11 SER E CB ? ? 1 +16453 O OG . SER E 8 0.8021 0.9279 1.1995 0.0006 0.0129 0.0478 11 SER E OG ? ? 1 +16454 C C . SER E 8 0.8125 0.9202 1.2063 -0.0133 0.0158 0.0403 11 SER E C ? ? 1 +16455 O O . SER E 8 0.8148 0.9146 1.2040 -0.0108 0.0151 0.0375 11 SER E O ? ? 1 +16456 N N . ASP E 9 0.8336 0.9280 1.2194 -0.0180 0.0194 0.0433 12 ASP E N ? ? 1 +16457 C CA . ASP E 9 0.8669 0.9371 1.2390 -0.0221 0.0228 0.0431 12 ASP E CA ? ? 1 +16458 C CB . ASP E 9 0.8996 0.9580 1.2636 -0.0256 0.0268 0.0475 12 ASP E CB ? ? 1 +16459 C CG . ASP E 9 0.9557 0.9872 1.3038 -0.0296 0.0310 0.0484 12 ASP E CG ? ? 1 +16460 O OD1 . ASP E 9 0.9749 0.9997 1.3230 -0.0375 0.0326 0.0450 12 ASP E OD1 ? ? 1 +16461 O OD2 . ASP E 9 1.0021 1.0189 1.3375 -0.0254 0.0329 0.0525 12 ASP E OD2 ? ? 1 +16462 C C . ASP E 9 0.8541 0.9249 1.2318 -0.0324 0.0238 0.0387 12 ASP E C ? ? 1 +16463 O O . ASP E 9 0.8812 0.9366 1.2503 -0.0327 0.0244 0.0363 12 ASP E O ? ? 1 +16464 N N . ILE E 10 0.8178 0.9064 1.2097 -0.0407 0.0237 0.0373 13 ILE E N ? ? 1 +16465 C CA . ILE E 10 0.8047 0.8950 1.2027 -0.0510 0.0244 0.0331 13 ILE E CA ? ? 1 +16466 C CB . ILE E 10 0.7814 0.8908 1.1945 -0.0600 0.0249 0.0327 13 ILE E CB ? ? 1 +16467 C CG1 . ILE E 10 0.7860 0.8883 1.1952 -0.0651 0.0292 0.0366 13 ILE E CG1 ? ? 1 +16468 C CG2 . ILE E 10 0.7784 0.8921 1.1991 -0.0696 0.0246 0.0278 13 ILE E CG2 ? ? 1 +16469 C CD1 . ILE E 10 0.7622 0.8842 1.1859 -0.0717 0.0297 0.0370 13 ILE E CD1 ? ? 1 +16470 C C . ILE E 10 0.7941 0.8896 1.1955 -0.0478 0.0209 0.0287 13 ILE E C ? ? 1 +16471 O O . ILE E 10 0.8017 0.8842 1.1970 -0.0513 0.0216 0.0257 13 ILE E O ? ? 1 +16472 N N . ILE E 11 0.7738 0.8880 1.1844 -0.0411 0.0173 0.0284 14 ILE E N ? ? 1 +16473 C CA . ILE E 11 0.7676 0.8899 1.1833 -0.0387 0.0141 0.0242 14 ILE E CA ? ? 1 +16474 C CB . ILE E 11 0.7400 0.8876 1.1701 -0.0351 0.0108 0.0239 14 ILE E CB ? ? 1 +16475 C CG1 . ILE E 11 0.7374 0.8890 1.1655 -0.0237 0.0094 0.0272 14 ILE E CG1 ? ? 1 +16476 C CG2 . ILE E 11 0.7210 0.8841 1.1634 -0.0436 0.0113 0.0244 14 ILE E CG2 ? ? 1 +16477 C CD1 . ILE E 11 0.7137 0.8881 1.1545 -0.0193 0.0060 0.0260 14 ILE E CD1 ? ? 1 +16478 C C . ILE E 11 0.7850 0.8922 1.1886 -0.0298 0.0134 0.0234 14 ILE E C ? ? 1 +16479 O O . ILE E 11 0.7860 0.8972 1.1919 -0.0276 0.0112 0.0198 14 ILE E O ? ? 1 +16480 N N . THR E 12 0.7982 0.8883 1.1889 -0.0244 0.0152 0.0267 15 THR E N ? ? 1 +16481 C CA . THR E 12 0.8097 0.8825 1.1873 -0.0165 0.0150 0.0260 15 THR E CA ? ? 1 +16482 C CB . THR E 12 0.8103 0.8814 1.1823 -0.0047 0.0141 0.0299 15 THR E CB ? ? 1 +16483 O OG1 . THR E 12 0.8142 0.8785 1.1814 -0.0070 0.0165 0.0342 15 THR E OG1 ? ? 1 +16484 C CG2 . THR E 12 0.7881 0.8826 1.1726 0.0018 0.0106 0.0297 15 THR E CG2 ? ? 1 +16485 C C . THR E 12 0.8329 0.8807 1.1969 -0.0220 0.0184 0.0256 15 THR E C ? ? 1 +16486 O O . THR E 12 0.8531 0.8834 1.2045 -0.0160 0.0187 0.0252 15 THR E O ? ? 1 +16487 N N . SER E 13 0.8325 0.8785 1.1993 -0.0336 0.0210 0.0254 16 SER E N ? ? 1 +16488 C CA . SER E 13 0.8535 0.8769 1.2089 -0.0406 0.0244 0.0245 16 SER E CA ? ? 1 +16489 C CB . SER E 13 0.8515 0.8735 1.2090 -0.0507 0.0280 0.0267 16 SER E CB ? ? 1 +16490 O OG . SER E 13 0.8374 0.8758 1.2093 -0.0606 0.0274 0.0236 16 SER E OG ? ? 1 +16491 C C . SER E 13 0.8584 0.8808 1.2161 -0.0459 0.0232 0.0190 16 SER E C ? ? 1 +16492 O O . SER E 13 0.8401 0.8816 1.2110 -0.0488 0.0206 0.0161 16 SER E O ? ? 1 +16493 N N . VAL E 14 0.8923 0.8917 1.2366 -0.0472 0.0251 0.0175 17 VAL E N ? ? 1 +16494 C CA . VAL E 14 0.9044 0.9000 1.2489 -0.0523 0.0241 0.0121 17 VAL E CA ? ? 1 +16495 C CB . VAL E 14 0.9407 0.9080 1.2672 -0.0505 0.0262 0.0112 17 VAL E CB ? ? 1 +16496 C CG1 . VAL E 14 0.9454 0.9097 1.2717 -0.0533 0.0243 0.0054 17 VAL E CG1 ? ? 1 +16497 C CG2 . VAL E 14 0.9533 0.9107 1.2685 -0.0369 0.0258 0.0145 17 VAL E CG2 ? ? 1 +16498 C C . VAL E 14 0.8966 0.9002 1.2515 -0.0662 0.0251 0.0097 17 VAL E C ? ? 1 +16499 O O . VAL E 14 0.8872 0.9019 1.2509 -0.0703 0.0226 0.0053 17 VAL E O ? ? 1 +16500 N N . ARG E 15 0.8962 0.8942 1.2499 -0.0731 0.0288 0.0125 18 ARG E N ? ? 1 +16501 C CA . ARG E 15 0.8869 0.8908 1.2497 -0.0864 0.0304 0.0103 18 ARG E CA ? ? 1 +16502 C CB . ARG E 15 0.8938 0.8879 1.2523 -0.0923 0.0354 0.0143 18 ARG E CB ? ? 1 +16503 C CG . ARG E 15 0.8926 0.8897 1.2591 -0.1065 0.0377 0.0118 18 ARG E CG ? ? 1 +16504 C CD . ARG E 15 0.9050 0.8923 1.2668 -0.1117 0.0431 0.0159 18 ARG E CD ? ? 1 +16505 N NE . ARG E 15 0.8900 0.8937 1.2594 -0.1079 0.0429 0.0201 18 ARG E NE ? ? 1 +16506 C CZ . ARG E 15 0.8946 0.8941 1.2617 -0.1112 0.0472 0.0242 18 ARG E CZ ? ? 1 +16507 N NH1 . ARG E 15 0.9219 0.8989 1.2765 -0.1165 0.0523 0.0255 18 ARG E NH1 ? ? 1 +16508 N NH2 . ARG E 15 0.8754 0.8931 1.2521 -0.1092 0.0466 0.0270 18 ARG E NH2 ? ? 1 +16509 C C . ARG E 15 0.8603 0.8926 1.2416 -0.0883 0.0270 0.0088 18 ARG E C ? ? 1 +16510 O O . ARG E 15 0.8622 0.9030 1.2525 -0.0965 0.0257 0.0046 18 ARG E O ? ? 1 +16511 N N . TYR E 16 0.8382 0.8849 1.2248 -0.0805 0.0255 0.0123 19 TYR E N ? ? 1 +16512 C CA . TYR E 16 0.8104 0.8835 1.2136 -0.0810 0.0223 0.0112 19 TYR E CA ? ? 1 +16513 C CB . TYR E 16 0.7890 0.8741 1.1951 -0.0709 0.0208 0.0152 19 TYR E CB ? ? 1 +16514 C CG . TYR E 16 0.7542 0.8656 1.1765 -0.0708 0.0175 0.0140 19 TYR E CG ? ? 1 +16515 C CD1 . TYR E 16 0.7371 0.8628 1.1712 -0.0785 0.0182 0.0146 19 TYR E CD1 ? ? 1 +16516 C CD2 . TYR E 16 0.7385 0.8600 1.1643 -0.0633 0.0137 0.0121 19 TYR E CD2 ? ? 1 +16517 C CE1 . TYR E 16 0.7100 0.8591 1.1585 -0.0783 0.0151 0.0135 19 TYR E CE1 ? ? 1 +16518 C CE2 . TYR E 16 0.7141 0.8589 1.1542 -0.0634 0.0108 0.0110 19 TYR E CE2 ? ? 1 +16519 C CZ . TYR E 16 0.6986 0.8568 1.1498 -0.0709 0.0114 0.0117 19 TYR E CZ ? ? 1 +16520 O OH . TYR E 16 0.6737 0.8541 1.1384 -0.0709 0.0085 0.0107 19 TYR E OH ? ? 1 +16521 C C . TYR E 16 0.8148 0.8953 1.2228 -0.0805 0.0184 0.0060 19 TYR E C ? ? 1 +16522 O O . TYR E 16 0.8039 0.8982 1.2234 -0.0876 0.0168 0.0028 19 TYR E O ? ? 1 +16523 N N . TRP E 17 0.8359 0.9068 1.2345 -0.0717 0.0170 0.0052 20 TRP E N ? ? 1 +16524 C CA . TRP E 17 0.8380 0.9156 1.2399 -0.0694 0.0135 0.0007 20 TRP E CA ? ? 1 +16525 C CB . TRP E 17 0.8512 0.9225 1.2442 -0.0567 0.0122 0.0015 20 TRP E CB ? ? 1 +16526 C CG . TRP E 17 0.8442 0.9334 1.2450 -0.0484 0.0105 0.0044 20 TRP E CG ? ? 1 +16527 C CD1 . TRP E 17 0.8478 0.9343 1.2439 -0.0404 0.0114 0.0089 20 TRP E CD1 ? ? 1 +16528 N NE1 . TRP E 17 0.8363 0.9434 1.2429 -0.0348 0.0091 0.0102 20 TRP E NE1 ? ? 1 +16529 C CE2 . TRP E 17 0.8287 0.9518 1.2466 -0.0392 0.0067 0.0067 20 TRP E CE2 ? ? 1 +16530 C CZ2 . TRP E 17 0.8154 0.9608 1.2457 -0.0365 0.0041 0.0064 20 TRP E CZ2 ? ? 1 +16531 C CH2 . TRP E 17 0.8141 0.9708 1.2530 -0.0421 0.0020 0.0025 20 TRP E CH2 ? ? 1 +16532 C CZ3 . TRP E 17 0.8185 0.9655 1.2544 -0.0503 0.0023 -0.0013 20 TRP E CZ3 ? ? 1 +16533 C CE3 . TRP E 17 0.8356 0.9609 1.2597 -0.0533 0.0050 -0.0012 20 TRP E CE3 ? ? 1 +16534 C CD2 . TRP E 17 0.8382 0.9507 1.2527 -0.0477 0.0074 0.0030 20 TRP E CD2 ? ? 1 +16535 C C . TRP E 17 0.8516 0.9188 1.2506 -0.0782 0.0136 -0.0042 20 TRP E C ? ? 1 +16536 O O . TRP E 17 0.8479 0.9259 1.2541 -0.0805 0.0105 -0.0083 20 TRP E O ? ? 1 +16537 N N . VAL E 18 0.8712 0.9174 1.2596 -0.0833 0.0170 -0.0039 21 VAL E N ? ? 1 +16538 C CA . VAL E 18 0.8806 0.9174 1.2673 -0.0932 0.0173 -0.0085 21 VAL E CA ? ? 1 +16539 C CB . VAL E 18 0.9054 0.9166 1.2785 -0.0979 0.0219 -0.0073 21 VAL E CB ? ? 1 +16540 C CG1 . VAL E 18 0.9107 0.9164 1.2862 -0.1112 0.0229 -0.0117 21 VAL E CG1 ? ? 1 +16541 C CG2 . VAL E 18 0.9249 0.9153 1.2814 -0.0887 0.0223 -0.0069 21 VAL E CG2 ? ? 1 +16542 C C . VAL E 18 0.8682 0.9245 1.2710 -0.1030 0.0160 -0.0108 21 VAL E C ? ? 1 +16543 O O . VAL E 18 0.8714 0.9350 1.2799 -0.1065 0.0128 -0.0156 21 VAL E O ? ? 1 +16544 N N . ILE E 19 0.8577 0.9225 1.2676 -0.1068 0.0182 -0.0073 22 ILE E N ? ? 1 +16545 C CA . ILE E 19 0.8351 0.9186 1.2606 -0.1158 0.0173 -0.0090 22 ILE E CA ? ? 1 +16546 C CB . ILE E 19 0.8300 0.9201 1.2608 -0.1184 0.0206 -0.0042 22 ILE E CB ? ? 1 +16547 C CG1 . ILE E 19 0.8515 0.9201 1.2704 -0.1217 0.0260 -0.0012 22 ILE E CG1 ? ? 1 +16548 C CG2 . ILE E 19 0.8129 0.9231 1.2604 -0.1276 0.0195 -0.0064 22 ILE E CG2 ? ? 1 +16549 C CD1 . ILE E 19 0.8709 0.9273 1.2871 -0.1318 0.0281 -0.0043 22 ILE E CD1 ? ? 1 +16550 C C . ILE E 19 0.8064 0.9121 1.2434 -0.1118 0.0124 -0.0110 22 ILE E C ? ? 1 +16551 O O . ILE E 19 0.7973 0.9127 1.2426 -0.1177 0.0097 -0.0154 22 ILE E O ? ? 1 +16552 N N . HIS E 20 0.7941 0.9077 1.2312 -0.1015 0.0114 -0.0076 23 HIS E N ? ? 1 +16553 C CA . HIS E 20 0.7648 0.9015 1.2142 -0.0978 0.0077 -0.0080 23 HIS E CA ? ? 1 +16554 C CB . HIS E 20 0.7455 0.8895 1.1962 -0.0901 0.0087 -0.0025 23 HIS E CB ? ? 1 +16555 C CG . HIS E 20 0.7283 0.8808 1.1871 -0.0964 0.0110 0.0003 23 HIS E CG ? ? 1 +16556 N ND1 . HIS E 20 0.7103 0.8836 1.1837 -0.1006 0.0090 -0.0010 23 HIS E ND1 ? ? 1 +16557 C CE1 . HIS E 20 0.7042 0.8807 1.1819 -0.1055 0.0118 0.0019 23 HIS E CE1 ? ? 1 +16558 N NE2 . HIS E 20 0.7129 0.8718 1.1795 -0.1050 0.0157 0.0049 23 HIS E NE2 ? ? 1 +16559 C CD2 . HIS E 20 0.7292 0.8720 1.1832 -0.0990 0.0151 0.0040 23 HIS E CD2 ? ? 1 +16560 C C . HIS E 20 0.7671 0.9065 1.2153 -0.0927 0.0039 -0.0118 23 HIS E C ? ? 1 +16561 O O . HIS E 20 0.7544 0.9121 1.2129 -0.0920 0.0007 -0.0134 23 HIS E O ? ? 1 +16562 N N . SER E 21 0.7857 0.9064 1.2209 -0.0894 0.0044 -0.0134 24 SER E N ? ? 1 +16563 C CA . SER E 21 0.7833 0.9042 1.2161 -0.0857 0.0012 -0.0176 24 SER E CA ? ? 1 +16564 C CB . SER E 21 0.8056 0.9050 1.2227 -0.0794 0.0025 -0.0179 24 SER E CB ? ? 1 +16565 O OG . SER E 21 0.8333 0.9133 1.2419 -0.0868 0.0048 -0.0196 24 SER E OG ? ? 1 +16566 C C . SER E 21 0.7810 0.9054 1.2194 -0.0954 -0.0010 -0.0229 24 SER E C ? ? 1 +16567 O O . SER E 21 0.7780 0.9081 1.2178 -0.0934 -0.0043 -0.0265 24 SER E O ? ? 1 +16568 N N . ILE E 22 0.7823 0.9031 1.2236 -0.1058 0.0009 -0.0235 25 ILE E N ? ? 1 +16569 C CA . ILE E 22 0.7758 0.9038 1.2254 -0.1157 -0.0014 -0.0284 25 ILE E CA ? ? 1 +16570 C CB . ILE E 22 0.7997 0.9111 1.2443 -0.1257 0.0015 -0.0300 25 ILE E CB ? ? 1 +16571 C CG1 . ILE E 22 0.8273 0.9163 1.2569 -0.1239 0.0017 -0.0329 25 ILE E CG1 ? ? 1 +16572 C CG2 . ILE E 22 0.7920 0.9146 1.2488 -0.1373 -0.0002 -0.0341 25 ILE E CG2 ? ? 1 +16573 C CD1 . ILE E 22 0.8365 0.9129 1.2528 -0.1115 0.0030 -0.0297 25 ILE E CD1 ? ? 1 +16574 C C . ILE E 22 0.7452 0.8974 1.2111 -0.1188 -0.0033 -0.0277 25 ILE E C ? ? 1 +16575 O O . ILE E 22 0.7379 0.9031 1.2111 -0.1197 -0.0073 -0.0312 25 ILE E O ? ? 1 +16576 N N . THR E 23 0.7271 0.8847 1.1980 -0.1202 -0.0004 -0.0234 26 THR E N ? ? 1 +16577 C CA . THR E 23 0.7001 0.8790 1.1862 -0.1244 -0.0017 -0.0229 26 THR E CA ? ? 1 +16578 C CB . THR E 23 0.6985 0.8780 1.1873 -0.1272 0.0025 -0.0183 26 THR E CB ? ? 1 +16579 O OG1 . THR E 23 0.7003 0.8733 1.1810 -0.1179 0.0045 -0.0135 26 THR E OG1 ? ? 1 +16580 C CG2 . THR E 23 0.7176 0.8826 1.2027 -0.1370 0.0062 -0.0193 26 THR E CG2 ? ? 1 +16581 C C . THR E 23 0.6715 0.8691 1.1648 -0.1170 -0.0052 -0.0223 26 THR E C ? ? 1 +16582 O O . THR E 23 0.6595 0.8741 1.1646 -0.1207 -0.0079 -0.0242 26 THR E O ? ? 1 +16583 N N . ILE E 24 0.6609 0.8554 1.1474 -0.1066 -0.0051 -0.0197 27 ILE E N ? ? 1 +16584 C CA . ILE E 24 0.6381 0.8495 1.1310 -0.0995 -0.0080 -0.0190 27 ILE E CA ? ? 1 +16585 C CB . ILE E 24 0.6375 0.8446 1.1232 -0.0884 -0.0067 -0.0150 27 ILE E CB ? ? 1 +16586 C CG1 . ILE E 24 0.6343 0.8427 1.1216 -0.0877 -0.0035 -0.0098 27 ILE E CG1 ? ? 1 +16587 C CG2 . ILE E 24 0.6207 0.8423 1.1110 -0.0810 -0.0097 -0.0154 27 ILE E CG2 ? ? 1 +16588 C CD1 . ILE E 24 0.6401 0.8425 1.1196 -0.0772 -0.0022 -0.0058 27 ILE E CD1 ? ? 1 +16589 C C . ILE E 24 0.6313 0.8482 1.1261 -0.1000 -0.0122 -0.0241 27 ILE E C ? ? 1 +16590 O O . ILE E 24 0.6213 0.8556 1.1268 -0.1017 -0.0150 -0.0254 27 ILE E O ? ? 1 +16591 N N . PRO E 25 0.6411 0.8436 1.1256 -0.0985 -0.0128 -0.0273 28 PRO E N ? ? 1 +16592 C CA . PRO E 25 0.6385 0.8451 1.1242 -0.0998 -0.0168 -0.0324 28 PRO E CA ? ? 1 +16593 C CB . PRO E 25 0.6616 0.8474 1.1330 -0.0974 -0.0161 -0.0348 28 PRO E CB ? ? 1 +16594 C CG . PRO E 25 0.6692 0.8431 1.1322 -0.0913 -0.0122 -0.0302 28 PRO E CG ? ? 1 +16595 C CD . PRO E 25 0.6614 0.8423 1.1319 -0.0950 -0.0099 -0.0262 28 PRO E CD ? ? 1 +16596 C C . PRO E 25 0.6327 0.8470 1.1275 -0.1103 -0.0191 -0.0362 28 PRO E C ? ? 1 +16597 O O . PRO E 25 0.6214 0.8485 1.1228 -0.1110 -0.0229 -0.0391 28 PRO E O ? ? 1 +16598 N N . ALA E 26 0.6389 0.8451 1.1339 -0.1185 -0.0167 -0.0363 29 ALA E N ? ? 1 +16599 C CA . ALA E 26 0.6394 0.8530 1.1438 -0.1289 -0.0185 -0.0400 29 ALA E CA ? ? 1 +16600 C CB . ALA E 26 0.6544 0.8565 1.1574 -0.1371 -0.0145 -0.0393 29 ALA E CB ? ? 1 +16601 C C . ALA E 26 0.6130 0.8498 1.1320 -0.1297 -0.0206 -0.0390 29 ALA E C ? ? 1 +16602 O O . ALA E 26 0.6073 0.8547 1.1336 -0.1338 -0.0246 -0.0430 29 ALA E O ? ? 1 +16603 N N . LEU E 27 0.5951 0.8392 1.1178 -0.1257 -0.0182 -0.0338 30 LEU E N ? ? 1 +16604 C CA . LEU E 27 0.5700 0.8353 1.1057 -0.1256 -0.0199 -0.0324 30 LEU E CA ? ? 1 +16605 C CB . LEU E 27 0.5625 0.8313 1.1001 -0.1222 -0.0162 -0.0265 30 LEU E CB ? ? 1 +16606 C CG . LEU E 27 0.5729 0.8360 1.1122 -0.1295 -0.0121 -0.0247 30 LEU E CG ? ? 1 +16607 C CD1 . LEU E 27 0.5676 0.8331 1.1069 -0.1248 -0.0088 -0.0188 30 LEU E CD1 ? ? 1 +16608 C CD2 . LEU E 27 0.5679 0.8436 1.1200 -0.1392 -0.0134 -0.0276 30 LEU E CD2 ? ? 1 +16609 C C . LEU E 27 0.5536 0.8296 1.0906 -0.1188 -0.0239 -0.0337 30 LEU E C ? ? 1 +16610 O O . LEU E 27 0.5428 0.8339 1.0894 -0.1212 -0.0273 -0.0359 30 LEU E O ? ? 1 +16611 N N . PHE E 28 0.5505 0.8183 1.0778 -0.1103 -0.0234 -0.0325 31 PHE E N ? ? 1 +16612 C CA . PHE E 28 0.5358 0.8120 1.0630 -0.1035 -0.0264 -0.0335 31 PHE E CA ? ? 1 +16613 C CB . PHE E 28 0.5416 0.8063 1.0574 -0.0944 -0.0247 -0.0318 31 PHE E CB ? ? 1 +16614 C CG . PHE E 28 0.5308 0.8040 1.0463 -0.0866 -0.0269 -0.0322 31 PHE E CG ? ? 1 +16615 C CD2 . PHE E 28 0.5147 0.7993 1.0348 -0.0803 -0.0260 -0.0283 31 PHE E CD2 ? ? 1 +16616 C CD1 . PHE E 28 0.5368 0.8060 1.0470 -0.0857 -0.0296 -0.0366 31 PHE E CD1 ? ? 1 +16617 C CE2 . PHE E 28 0.5067 0.7988 1.0266 -0.0735 -0.0275 -0.0286 31 PHE E CE2 ? ? 1 +16618 C CE1 . PHE E 28 0.5287 0.8052 1.0381 -0.0786 -0.0310 -0.0368 31 PHE E CE1 ? ? 1 +16619 C CZ . PHE E 28 0.5133 0.8013 1.0278 -0.0727 -0.0299 -0.0329 31 PHE E CZ ? ? 1 +16620 C C . PHE E 28 0.5359 0.8136 1.0639 -0.1077 -0.0307 -0.0393 31 PHE E C ? ? 1 +16621 O O . PHE E 28 0.5255 0.8177 1.0606 -0.1073 -0.0340 -0.0407 31 PHE E O ? ? 1 +16622 N N . ILE E 29 0.5504 0.8125 1.0705 -0.1117 -0.0306 -0.0427 32 ILE E N ? ? 1 +16623 C CA . ILE E 29 0.5541 0.8159 1.0740 -0.1162 -0.0347 -0.0485 32 ILE E CA ? ? 1 +16624 C CB . ILE E 29 0.5768 0.8176 1.0853 -0.1194 -0.0337 -0.0516 32 ILE E CB ? ? 1 +16625 C CG1 . ILE E 29 0.5854 0.8132 1.0807 -0.1100 -0.0321 -0.0504 32 ILE E CG1 ? ? 1 +16626 C CG2 . ILE E 29 0.5841 0.8246 1.0936 -0.1261 -0.0381 -0.0580 32 ILE E CG2 ? ? 1 +16627 C CD1 . ILE E 29 0.6079 0.8132 1.0906 -0.1118 -0.0301 -0.0523 32 ILE E CD1 ? ? 1 +16628 C C . ILE E 29 0.5412 0.8175 1.0742 -0.1244 -0.0373 -0.0506 32 ILE E C ? ? 1 +16629 O O . ILE E 29 0.5366 0.8215 1.0731 -0.1253 -0.0418 -0.0542 32 ILE E O ? ? 1 +16630 N N . ALA E 30 0.5349 0.8137 1.0746 -0.1300 -0.0345 -0.0483 33 ALA E N ? ? 1 +16631 C CA . ALA E 30 0.5232 0.8165 1.0763 -0.1376 -0.0365 -0.0500 33 ALA E CA ? ? 1 +16632 C CB . ALA E 30 0.5250 0.8167 1.0828 -0.1434 -0.0321 -0.0472 33 ALA E CB ? ? 1 +16633 C C . ALA E 30 0.5001 0.8130 1.0621 -0.1333 -0.0393 -0.0487 33 ALA E C ? ? 1 +16634 O O . ALA E 30 0.4937 0.8185 1.0637 -0.1368 -0.0434 -0.0521 33 ALA E O ? ? 1 +16635 N N . GLY E 31 0.4877 0.8039 1.0482 -0.1255 -0.0371 -0.0439 34 GLY E N ? ? 1 +16636 C CA . GLY E 31 0.4667 0.7997 1.0341 -0.1205 -0.0392 -0.0422 34 GLY E CA ? ? 1 +16637 C C . GLY E 31 0.4638 0.7992 1.0274 -0.1165 -0.0435 -0.0456 34 GLY E C ? ? 1 +16638 O O . GLY E 31 0.4508 0.8002 1.0216 -0.1164 -0.0470 -0.0468 34 GLY E O ? ? 1 +16639 N N . TRP E 32 0.4765 0.7973 1.0281 -0.1128 -0.0431 -0.0470 35 TRP E N ? ? 1 +16640 C CA . TRP E 32 0.4790 0.7991 1.0249 -0.1091 -0.0467 -0.0504 35 TRP E CA ? ? 1 +16641 C CB . TRP E 32 0.4946 0.7964 1.0265 -0.1048 -0.0449 -0.0512 35 TRP E CB ? ? 1 +16642 C CG . TRP E 32 0.4976 0.7978 1.0225 -0.0999 -0.0478 -0.0543 35 TRP E CG ? ? 1 +16643 C CD1 . TRP E 32 0.5034 0.8037 1.0270 -0.1032 -0.0523 -0.0595 35 TRP E CD1 ? ? 1 +16644 N NE1 . TRP E 32 0.5056 0.8038 1.0213 -0.0965 -0.0535 -0.0608 35 TRP E NE1 ? ? 1 +16645 C CE2 . TRP E 32 0.5011 0.7979 1.0133 -0.0888 -0.0497 -0.0565 35 TRP E CE2 ? ? 1 +16646 C CZ2 . TRP E 32 0.5022 0.7969 1.0070 -0.0805 -0.0489 -0.0559 35 TRP E CZ2 ? ? 1 +16647 C CH2 . TRP E 32 0.4975 0.7922 1.0014 -0.0739 -0.0449 -0.0514 35 TRP E CH2 ? ? 1 +16648 C CZ3 . TRP E 32 0.4925 0.7887 1.0019 -0.0754 -0.0419 -0.0473 35 TRP E CZ3 ? ? 1 +16649 C CE3 . TRP E 32 0.4919 0.7894 1.0078 -0.0836 -0.0424 -0.0476 35 TRP E CE3 ? ? 1 +16650 C CD2 . TRP E 32 0.4959 0.7941 1.0138 -0.0906 -0.0463 -0.0523 35 TRP E CD2 ? ? 1 +16651 C C . TRP E 32 0.4801 0.8050 1.0307 -0.1160 -0.0515 -0.0558 35 TRP E C ? ? 1 +16652 O O . TRP E 32 0.4711 0.8074 1.0255 -0.1143 -0.0553 -0.0574 35 TRP E O ? ? 1 +16653 N N . LEU E 33 0.4923 0.8089 1.0430 -0.1239 -0.0514 -0.0586 36 LEU E N ? ? 1 +16654 C CA . LEU E 33 0.4961 0.8167 1.0516 -0.1310 -0.0560 -0.0641 36 LEU E CA ? ? 1 +16655 C CB . LEU E 33 0.5138 0.8214 1.0672 -0.1392 -0.0544 -0.0667 36 LEU E CB ? ? 1 +16656 C CG . LEU E 33 0.5336 0.8203 1.0722 -0.1371 -0.0527 -0.0680 36 LEU E CG ? ? 1 +16657 C CD1 . LEU E 33 0.5490 0.8228 1.0861 -0.1452 -0.0500 -0.0692 36 LEU E CD1 ? ? 1 +16658 C CD2 . LEU E 33 0.5412 0.8242 1.0728 -0.1354 -0.0575 -0.0731 36 LEU E CD2 ? ? 1 +16659 C C . LEU E 33 0.4786 0.8187 1.0485 -0.1344 -0.0585 -0.0641 36 LEU E C ? ? 1 +16660 O O . LEU E 33 0.4767 0.8246 1.0503 -0.1364 -0.0636 -0.0682 36 LEU E O ? ? 1 +16661 N N . PHE E 34 0.4664 0.8143 1.0440 -0.1346 -0.0551 -0.0595 37 PHE E N ? ? 1 +16662 C CA . PHE E 34 0.4497 0.8163 1.0406 -0.1367 -0.0570 -0.0589 37 PHE E CA ? ? 1 +16663 C CB . PHE E 34 0.4382 0.8095 1.0345 -0.1359 -0.0521 -0.0531 37 PHE E CB ? ? 1 +16664 C CG . PHE E 34 0.4225 0.8117 1.0328 -0.1389 -0.0531 -0.0523 37 PHE E CG ? ? 1 +16665 C CD1 . PHE E 34 0.4244 0.8195 1.0441 -0.1474 -0.0550 -0.0559 37 PHE E CD1 ? ? 1 +16666 C CD2 . PHE E 34 0.4063 0.8066 1.0207 -0.1332 -0.0522 -0.0481 37 PHE E CD2 ? ? 1 +16667 C CE1 . PHE E 34 0.4103 0.8221 1.0430 -0.1498 -0.0558 -0.0552 37 PHE E CE1 ? ? 1 +16668 C CE2 . PHE E 34 0.3935 0.8099 1.0205 -0.1358 -0.0531 -0.0473 37 PHE E CE2 ? ? 1 +16669 C CZ . PHE E 34 0.3956 0.8175 1.0315 -0.1440 -0.0548 -0.0509 37 PHE E CZ ? ? 1 +16670 C C . PHE E 34 0.4408 0.8188 1.0328 -0.1309 -0.0612 -0.0595 37 PHE E C ? ? 1 +16671 O O . PHE E 34 0.4314 0.8224 1.0323 -0.1336 -0.0652 -0.0618 37 PHE E O ? ? 1 +16672 N N . VAL E 35 0.4432 0.8161 1.0260 -0.1227 -0.0601 -0.0573 38 VAL E N ? ? 1 +16673 C CA . VAL E 35 0.4377 0.8187 1.0191 -0.1168 -0.0635 -0.0579 38 VAL E CA ? ? 1 +16674 C CB . VAL E 35 0.4336 0.8125 1.0090 -0.1079 -0.0600 -0.0533 38 VAL E CB ? ? 1 +16675 C CG1 . VAL E 35 0.4307 0.8136 1.0014 -0.1017 -0.0630 -0.0544 38 VAL E CG1 ? ? 1 +16676 C CG2 . VAL E 35 0.4194 0.8082 1.0032 -0.1069 -0.0568 -0.0480 38 VAL E CG2 ? ? 1 +16677 C C . VAL E 35 0.4513 0.8256 1.0253 -0.1173 -0.0680 -0.0634 38 VAL E C ? ? 1 +16678 O O . VAL E 35 0.4494 0.8330 1.0273 -0.1182 -0.0728 -0.0664 38 VAL E O ? ? 1 +16679 N N . SER E 36 0.4669 0.8246 1.0298 -0.1166 -0.0664 -0.0648 39 SER E N ? ? 1 +16680 C CA . SER E 36 0.4785 0.8280 1.0317 -0.1153 -0.0700 -0.0695 39 SER E CA ? ? 1 +16681 C CB . SER E 36 0.4941 0.8250 1.0344 -0.1125 -0.0667 -0.0694 39 SER E CB ? ? 1 +16682 O OG . SER E 36 0.5085 0.8289 1.0484 -0.1194 -0.0651 -0.0710 39 SER E OG ? ? 1 +16683 C C . SER E 36 0.4817 0.8332 1.0391 -0.1230 -0.0751 -0.0753 39 SER E C ? ? 1 +16684 O O . SER E 36 0.4877 0.8382 1.0399 -0.1218 -0.0796 -0.0794 39 SER E O ? ? 1 +16685 N N . THR E 37 0.4783 0.8332 1.0451 -0.1308 -0.0746 -0.0759 40 THR E N ? ? 1 +16686 C CA . THR E 37 0.4809 0.8408 1.0542 -0.1383 -0.0796 -0.0814 40 THR E CA ? ? 1 +16687 C CB . THR E 37 0.4865 0.8427 1.0661 -0.1472 -0.0771 -0.0821 40 THR E CB ? ? 1 +16688 O OG1 . THR E 37 0.4722 0.8393 1.0624 -0.1481 -0.0736 -0.0775 40 THR E OG1 ? ? 1 +16689 C CG2 . THR E 37 0.5030 0.8391 1.0711 -0.1477 -0.0729 -0.0818 40 THR E CG2 ? ? 1 +16690 C C . THR E 37 0.4638 0.8427 1.0478 -0.1378 -0.0838 -0.0817 40 THR E C ? ? 1 +16691 O O . THR E 37 0.4655 0.8504 1.0546 -0.1424 -0.0890 -0.0865 40 THR E O ? ? 1 +16692 N N . GLY E 38 0.4480 0.8361 1.0351 -0.1320 -0.0816 -0.0767 41 GLY E N ? ? 1 +16693 C CA . GLY E 38 0.4322 0.8377 1.0287 -0.1307 -0.0850 -0.0763 41 GLY E CA ? ? 1 +16694 C C . GLY E 38 0.4216 0.8389 1.0325 -0.1363 -0.0836 -0.0747 41 GLY E C ? ? 1 +16695 O O . GLY E 38 0.4102 0.8423 1.0299 -0.1355 -0.0861 -0.0743 41 GLY E O ? ? 1 +16696 N N . LEU E 39 0.4272 0.8376 1.0401 -0.1417 -0.0794 -0.0739 42 LEU E N ? ? 1 +16697 C CA . LEU E 39 0.4204 0.8407 1.0465 -0.1479 -0.0778 -0.0730 42 LEU E CA ? ? 1 +16698 C CB . LEU E 39 0.4319 0.8400 1.0566 -0.1539 -0.0729 -0.0725 42 LEU E CB ? ? 1 +16699 C CG . LEU E 39 0.4292 0.8457 1.0674 -0.1622 -0.0711 -0.0727 42 LEU E CG ? ? 1 +16700 C CD1 . LEU E 39 0.4280 0.8558 1.0762 -0.1681 -0.0770 -0.0785 42 LEU E CD1 ? ? 1 +16701 C CD2 . LEU E 39 0.4425 0.8446 1.0770 -0.1679 -0.0662 -0.0724 42 LEU E CD2 ? ? 1 +16702 C C . LEU E 39 0.4038 0.8362 1.0365 -0.1435 -0.0753 -0.0675 42 LEU E C ? ? 1 +16703 O O . LEU E 39 0.3945 0.8411 1.0391 -0.1463 -0.0768 -0.0678 42 LEU E O ? ? 1 +16704 N N . ALA E 40 0.4003 0.8272 1.0253 -0.1365 -0.0716 -0.0629 43 ALA E N ? ? 1 +16705 C CA . ALA E 40 0.3849 0.8219 1.0150 -0.1321 -0.0691 -0.0577 43 ALA E CA ? ? 1 +16706 C CB . ALA E 40 0.3851 0.8139 1.0050 -0.1243 -0.0656 -0.0536 43 ALA E CB ? ? 1 +16707 C C . ALA E 40 0.3726 0.8258 1.0102 -0.1300 -0.0736 -0.0585 43 ALA E C ? ? 1 +16708 O O . ALA E 40 0.3612 0.8264 1.0086 -0.1307 -0.0726 -0.0561 43 ALA E O ? ? 1 +16709 N N . TYR E 41 0.3757 0.8285 1.0078 -0.1272 -0.0784 -0.0619 44 TYR E N ? ? 1 +16710 C CA . TYR E 41 0.3661 0.8327 1.0039 -0.1251 -0.0832 -0.0631 44 TYR E CA ? ? 1 +16711 C CB . TYR E 41 0.3748 0.8373 1.0040 -0.1224 -0.0884 -0.0673 44 TYR E CB ? ? 1 +16712 C CG . TYR E 41 0.3791 0.8318 0.9953 -0.1150 -0.0866 -0.0652 44 TYR E CG ? ? 1 +16713 C CD1 . TYR E 41 0.3693 0.8281 0.9839 -0.1082 -0.0858 -0.0616 44 TYR E CD1 ? ? 1 +16714 C CD2 . TYR E 41 0.3936 0.8308 0.9989 -0.1150 -0.0854 -0.0670 44 TYR E CD2 ? ? 1 +16715 C CE1 . TYR E 41 0.3718 0.8223 0.9752 -0.1016 -0.0839 -0.0600 44 TYR E CE1 ? ? 1 +16716 C CE2 . TYR E 41 0.3969 0.8255 0.9906 -0.1081 -0.0835 -0.0652 44 TYR E CE2 ? ? 1 +16717 C CZ . TYR E 41 0.3860 0.8217 0.9791 -0.1015 -0.0827 -0.0618 44 TYR E CZ ? ? 1 +16718 O OH . TYR E 41 0.3926 0.8200 0.9747 -0.0950 -0.0806 -0.0604 44 TYR E OH ? ? 1 +16719 C C . TYR E 41 0.3610 0.8397 1.0123 -0.1317 -0.0857 -0.0656 44 TYR E C ? ? 1 +16720 O O . TYR E 41 0.3496 0.8417 1.0093 -0.1303 -0.0867 -0.0640 44 TYR E O ? ? 1 +16721 N N . ASP E 42 0.3709 0.8449 1.0244 -0.1390 -0.0868 -0.0698 45 ASP E N ? ? 1 +16722 C CA . ASP E 42 0.3692 0.8549 1.0358 -0.1455 -0.0900 -0.0733 45 ASP E CA ? ? 1 +16723 C CB . ASP E 42 0.3849 0.8638 1.0504 -0.1522 -0.0933 -0.0795 45 ASP E CB ? ? 1 +16724 C CG . ASP E 42 0.3949 0.8686 1.0505 -0.1485 -0.0990 -0.0834 45 ASP E CG ? ? 1 +16725 O OD1 . ASP E 42 0.3887 0.8701 1.0430 -0.1425 -0.1025 -0.0829 45 ASP E OD1 ? ? 1 +16726 O OD2 . ASP E 42 0.4106 0.8720 1.0589 -0.1515 -0.0999 -0.0870 45 ASP E OD2 ? ? 1 +16727 C C . ASP E 42 0.3597 0.8524 1.0371 -0.1495 -0.0851 -0.0700 45 ASP E C ? ? 1 +16728 O O . ASP E 42 0.3521 0.8592 1.0414 -0.1516 -0.0870 -0.0708 45 ASP E O ? ? 1 +16729 N N . VAL E 43 0.3608 0.8432 1.0339 -0.1501 -0.0789 -0.0664 46 VAL E N ? ? 1 +16730 C CA . VAL E 43 0.3528 0.8401 1.0344 -0.1534 -0.0738 -0.0629 46 VAL E CA ? ? 1 +16731 C CB . VAL E 43 0.3618 0.8337 1.0354 -0.1540 -0.0674 -0.0595 46 VAL E CB ? ? 1 +16732 C CG1 . VAL E 43 0.3547 0.8311 1.0352 -0.1558 -0.0618 -0.0549 46 VAL E CG1 ? ? 1 +16733 C CG2 . VAL E 43 0.3783 0.8376 1.0478 -0.1606 -0.0674 -0.0636 46 VAL E CG2 ? ? 1 +16734 C C . VAL E 43 0.3351 0.8353 1.0221 -0.1479 -0.0733 -0.0587 46 VAL E C ? ? 1 +16735 O O . VAL E 43 0.3269 0.8393 1.0255 -0.1510 -0.0729 -0.0584 46 VAL E O ? ? 1 +16736 N N . PHE E 44 0.3290 0.8263 1.0073 -0.1400 -0.0731 -0.0557 47 PHE E N ? ? 1 +16737 C CA . PHE E 44 0.3129 0.8202 0.9948 -0.1347 -0.0718 -0.0513 47 PHE E CA ? ? 1 +16738 C CB . PHE E 44 0.3118 0.8096 0.9833 -0.1282 -0.0678 -0.0467 47 PHE E CB ? ? 1 +16739 C CG . PHE E 44 0.3162 0.8035 0.9850 -0.1308 -0.0620 -0.0440 47 PHE E CG ? ? 1 +16740 C CD1 . PHE E 44 0.3089 0.8015 0.9851 -0.1333 -0.0581 -0.0408 47 PHE E CD1 ? ? 1 +16741 C CD2 . PHE E 44 0.3287 0.8003 0.9868 -0.1307 -0.0606 -0.0447 47 PHE E CD2 ? ? 1 +16742 C CE1 . PHE E 44 0.3150 0.7971 0.9877 -0.1354 -0.0528 -0.0382 47 PHE E CE1 ? ? 1 +16743 C CE2 . PHE E 44 0.3346 0.7959 0.9894 -0.1327 -0.0553 -0.0421 47 PHE E CE2 ? ? 1 +16744 C CZ . PHE E 44 0.3280 0.7944 0.9899 -0.1351 -0.0515 -0.0389 47 PHE E CZ ? ? 1 +16745 C C . PHE E 44 0.3043 0.8240 0.9901 -0.1313 -0.0773 -0.0530 47 PHE E C ? ? 1 +16746 O O . PHE E 44 0.2927 0.8232 0.9847 -0.1287 -0.0768 -0.0503 47 PHE E O ? ? 1 +16747 N N . GLY E 45 0.3108 0.8287 0.9929 -0.1314 -0.0827 -0.0577 48 GLY E N ? ? 1 +16748 C CA . GLY E 45 0.3052 0.8336 0.9897 -0.1281 -0.0883 -0.0597 48 GLY E CA ? ? 1 +16749 C C . GLY E 45 0.3021 0.8277 0.9767 -0.1197 -0.0888 -0.0571 48 GLY E C ? ? 1 +16750 O O . GLY E 45 0.2934 0.8283 0.9701 -0.1158 -0.0917 -0.0567 48 GLY E O ? ? 1 +16751 N N . THR E 46 0.3104 0.8227 0.9738 -0.1171 -0.0857 -0.0556 49 THR E N ? ? 1 +16752 C CA . THR E 46 0.3097 0.8181 0.9635 -0.1094 -0.0849 -0.0529 49 THR E CA ? ? 1 +16753 C CB . THR E 46 0.3129 0.8102 0.9601 -0.1078 -0.0792 -0.0494 49 THR E CB ? ? 1 +16754 O OG1 . THR E 46 0.3053 0.8082 0.9610 -0.1100 -0.0751 -0.0458 49 THR E OG1 ? ? 1 +16755 C CG2 . THR E 46 0.3118 0.8046 0.9492 -0.1000 -0.0777 -0.0468 49 THR E CG2 ? ? 1 +16756 C C . THR E 46 0.3201 0.8237 0.9651 -0.1070 -0.0899 -0.0569 49 THR E C ? ? 1 +16757 O O . THR E 46 0.3319 0.8268 0.9724 -0.1102 -0.0915 -0.0606 49 THR E O ? ? 1 +16758 N N . PRO E 47 0.3183 0.8271 0.9602 -0.1014 -0.0923 -0.0562 50 PRO E N ? ? 1 +16759 C CA . PRO E 47 0.3305 0.8344 0.9632 -0.0989 -0.0971 -0.0599 50 PRO E CA ? ? 1 +16760 C CB . PRO E 47 0.3207 0.8324 0.9522 -0.0928 -0.0984 -0.0576 50 PRO E CB ? ? 1 +16761 C CG . PRO E 47 0.3060 0.8292 0.9490 -0.0937 -0.0960 -0.0541 50 PRO E CG ? ? 1 +16762 C CD . PRO E 47 0.3049 0.8237 0.9514 -0.0974 -0.0908 -0.0520 50 PRO E CD ? ? 1 +16763 C C . PRO E 47 0.3463 0.8351 0.9663 -0.0966 -0.0947 -0.0602 50 PRO E C ? ? 1 +16764 O O . PRO E 47 0.3457 0.8297 0.9618 -0.0933 -0.0896 -0.0562 50 PRO E O ? ? 1 +16765 N N . ARG E 48 0.3642 0.8457 0.9779 -0.0984 -0.0986 -0.0651 51 ARG E N ? ? 1 +16766 C CA . ARG E 48 0.3800 0.8477 0.9800 -0.0950 -0.0975 -0.0660 51 ARG E CA ? ? 1 +16767 C CB . ARG E 48 0.3980 0.8579 0.9935 -0.0992 -0.1019 -0.0719 51 ARG E CB ? ? 1 +16768 C CG . ARG E 48 0.4068 0.8631 1.0083 -0.1066 -0.1005 -0.0735 51 ARG E CG ? ? 1 +16769 C CD . ARG E 48 0.4253 0.8747 1.0230 -0.1111 -0.1053 -0.0798 51 ARG E CD ? ? 1 +16770 N NE . ARG E 48 0.4346 0.8804 1.0381 -0.1187 -0.1038 -0.0814 51 ARG E NE ? ? 1 +16771 C CZ . ARG E 48 0.4299 0.8859 1.0467 -0.1246 -0.1044 -0.0820 51 ARG E CZ ? ? 1 +16772 N NH1 . ARG E 48 0.4174 0.8884 1.0438 -0.1236 -0.1063 -0.0807 51 ARG E NH1 ? ? 1 +16773 N NH2 . ARG E 48 0.4378 0.8886 1.0585 -0.1317 -0.1027 -0.0838 51 ARG E NH2 ? ? 1 +16774 C C . ARG E 48 0.3796 0.8488 0.9722 -0.0878 -0.0984 -0.0646 51 ARG E C ? ? 1 +16775 O O . ARG E 48 0.3715 0.8512 0.9686 -0.0865 -0.1016 -0.0644 51 ARG E O ? ? 1 +16776 N N . PRO E 49 0.3870 0.8456 0.9677 -0.0830 -0.0956 -0.0635 52 PRO E N ? ? 1 +16777 C CA . PRO E 49 0.3866 0.8458 0.9597 -0.0763 -0.0956 -0.0620 52 PRO E CA ? ? 1 +16778 C CB . PRO E 49 0.3972 0.8424 0.9579 -0.0730 -0.0923 -0.0623 52 PRO E CB ? ? 1 +16779 C CG . PRO E 49 0.3975 0.8375 0.9618 -0.0764 -0.0883 -0.0610 52 PRO E CG ? ? 1 +16780 C CD . PRO E 49 0.3974 0.8426 0.9712 -0.0836 -0.0920 -0.0638 52 PRO E CD ? ? 1 +16781 C C . PRO E 49 0.3929 0.8563 0.9634 -0.0754 -0.1020 -0.0655 52 PRO E C ? ? 1 +16782 O O . PRO E 49 0.3898 0.8574 0.9574 -0.0706 -0.1022 -0.0636 52 PRO E O ? ? 1 +16783 N N . ASP E 50 0.4049 0.8670 0.9763 -0.0800 -0.1073 -0.0705 53 ASP E N ? ? 1 +16784 C CA . ASP E 50 0.4103 0.8763 0.9794 -0.0792 -0.1140 -0.0742 53 ASP E CA ? ? 1 +16785 C CB . ASP E 50 0.4262 0.8819 0.9870 -0.0816 -0.1181 -0.0799 53 ASP E CB ? ? 1 +16786 C CG . ASP E 50 0.4293 0.8846 0.9981 -0.0893 -0.1196 -0.0832 53 ASP E CG ? ? 1 +16787 O OD1 . ASP E 50 0.4191 0.8826 1.0003 -0.0930 -0.1175 -0.0810 53 ASP E OD1 ? ? 1 +16788 O OD2 . ASP E 50 0.4430 0.8897 1.0055 -0.0917 -0.1228 -0.0879 53 ASP E OD2 ? ? 1 +16789 C C . ASP E 50 0.4037 0.8840 0.9861 -0.0827 -0.1182 -0.0751 53 ASP E C ? ? 1 +16790 O O . ASP E 50 0.4050 0.8889 0.9866 -0.0828 -0.1245 -0.0788 53 ASP E O ? ? 1 +16791 N N . SER E 51 0.3957 0.8840 0.9900 -0.0853 -0.1146 -0.0717 54 SER E N ? ? 1 +16792 C CA . SER E 51 0.3924 0.8944 0.9999 -0.0888 -0.1181 -0.0727 54 SER E CA ? ? 1 +16793 C CB . SER E 51 0.3984 0.9008 1.0148 -0.0965 -0.1184 -0.0755 54 SER E CB ? ? 1 +16794 O OG . SER E 51 0.4010 0.8967 1.0176 -0.0983 -0.1120 -0.0725 54 SER E OG ? ? 1 +16795 C C . SER E 51 0.3776 0.8902 0.9931 -0.0865 -0.1149 -0.0676 54 SER E C ? ? 1 +16796 O O . SER E 51 0.3731 0.8962 1.0009 -0.0900 -0.1158 -0.0675 54 SER E O ? ? 1 +16797 N N . TYR E 52 0.3747 0.8846 0.9831 -0.0805 -0.1114 -0.0636 55 TYR E N ? ? 1 +16798 C CA . TYR E 52 0.3637 0.8832 0.9778 -0.0775 -0.1092 -0.0592 55 TYR E CA ? ? 1 +16799 C CB . TYR E 52 0.3561 0.8697 0.9620 -0.0720 -0.1035 -0.0547 55 TYR E CB ? ? 1 +16800 C CG . TYR E 52 0.3466 0.8562 0.9552 -0.0737 -0.0973 -0.0517 55 TYR E CG ? ? 1 +16801 C CD1 . TYR E 52 0.3330 0.8506 0.9515 -0.0748 -0.0940 -0.0480 55 TYR E CD1 ? ? 1 +16802 C CD2 . TYR E 52 0.3537 0.8513 0.9549 -0.0743 -0.0952 -0.0529 55 TYR E CD2 ? ? 1 +16803 C CE1 . TYR E 52 0.3300 0.8436 0.9506 -0.0762 -0.0886 -0.0453 55 TYR E CE1 ? ? 1 +16804 C CE2 . TYR E 52 0.3516 0.8452 0.9550 -0.0756 -0.0899 -0.0503 55 TYR E CE2 ? ? 1 +16805 C CZ . TYR E 52 0.3405 0.8420 0.9534 -0.0765 -0.0867 -0.0464 55 TYR E CZ ? ? 1 +16806 O OH . TYR E 52 0.3390 0.8362 0.9534 -0.0775 -0.0816 -0.0437 55 TYR E OH ? ? 1 +16807 C C . TYR E 52 0.3715 0.8991 0.9863 -0.0751 -0.1150 -0.0608 55 TYR E C ? ? 1 +16808 O O . TYR E 52 0.3622 0.9008 0.9863 -0.0752 -0.1155 -0.0591 55 TYR E O ? ? 1 +16809 N N . TYR E 53 0.3968 0.9182 1.0009 -0.0725 -0.1191 -0.0640 56 TYR E N ? ? 1 +16810 C CA . TYR E 53 0.4123 0.9389 1.0139 -0.0691 -0.1247 -0.0655 56 TYR E CA ? ? 1 +16811 C CB . TYR E 53 0.4113 0.9321 1.0005 -0.0624 -0.1227 -0.0628 56 TYR E CB ? ? 1 +16812 C CG . TYR E 53 0.3980 0.9226 0.9898 -0.0595 -0.1168 -0.0571 56 TYR E CG ? ? 1 +16813 C CD1 . TYR E 53 0.3859 0.9216 0.9857 -0.0585 -0.1178 -0.0550 56 TYR E CD1 ? ? 1 +16814 C CD2 . TYR E 53 0.3956 0.9126 0.9814 -0.0573 -0.1104 -0.0539 56 TYR E CD2 ? ? 1 +16815 C CE1 . TYR E 53 0.3769 0.9158 0.9787 -0.0558 -0.1126 -0.0499 56 TYR E CE1 ? ? 1 +16816 C CE2 . TYR E 53 0.3823 0.9031 0.9706 -0.0546 -0.1053 -0.0489 56 TYR E CE2 ? ? 1 +16817 C CZ . TYR E 53 0.3740 0.9054 0.9700 -0.0540 -0.1064 -0.0469 56 TYR E CZ ? ? 1 +16818 O OH . TYR E 53 0.3688 0.9039 0.9673 -0.0515 -0.1016 -0.0422 56 TYR E OH ? ? 1 +16819 C C . TYR E 53 0.4459 0.9693 1.0432 -0.0709 -0.1317 -0.0715 56 TYR E C ? ? 1 +16820 O O . TYR E 53 0.4518 0.9654 1.0429 -0.0728 -0.1315 -0.0741 56 TYR E O ? ? 1 +16821 N N . ALA E 54 0.4767 1.0081 1.0768 -0.0698 -0.1380 -0.0739 57 ALA E N ? ? 1 +16822 C CA . ALA E 54 0.5117 1.0393 1.1043 -0.0692 -0.1452 -0.0792 57 ALA E CA ? ? 1 +16823 C CB . ALA E 54 0.5148 1.0546 1.1155 -0.0693 -0.1522 -0.0817 57 ALA E CB ? ? 1 +16824 C C . ALA E 54 0.5303 1.0471 1.1058 -0.0629 -0.1443 -0.0781 57 ALA E C ? ? 1 +16825 O O . ALA E 54 0.5240 1.0397 1.0958 -0.0588 -0.1393 -0.0733 57 ALA E O ? ? 1 +16826 N N . GLN E 55 0.5648 1.0733 1.1297 -0.0623 -0.1491 -0.0826 58 GLN E N ? ? 1 +16827 C CA . GLN E 55 0.5954 1.0918 1.1430 -0.0570 -0.1478 -0.0820 58 GLN E CA ? ? 1 +16828 C CB . GLN E 55 0.6069 1.0965 1.1454 -0.0574 -0.1550 -0.0882 58 GLN E CB ? ? 1 +16829 C CG . GLN E 55 0.6184 1.0939 1.1381 -0.0524 -0.1538 -0.0885 58 GLN E CG ? ? 1 +16830 C CD . GLN E 55 0.6106 1.0768 1.1255 -0.0521 -0.1454 -0.0854 58 GLN E CD ? ? 1 +16831 O OE1 . GLN E 55 0.5954 1.0608 1.1174 -0.0568 -0.1426 -0.0856 58 GLN E OE1 ? ? 1 +16832 N NE2 . GLN E 55 0.6109 1.0698 1.1136 -0.0465 -0.1413 -0.0824 58 GLN E NE2 ? ? 1 +16833 C C . GLN E 55 0.6224 1.1204 1.1638 -0.0505 -0.1466 -0.0782 58 GLN E C ? ? 1 +16834 O O . GLN E 55 0.6019 1.0917 1.1331 -0.0467 -0.1413 -0.0751 58 GLN E O ? ? 1 +16835 N N . GLU E 56 0.6773 1.1856 1.2248 -0.0494 -0.1513 -0.0784 59 GLU E N ? ? 1 +16836 C CA . GLU E 56 0.7186 1.2277 1.2591 -0.0432 -0.1512 -0.0754 59 GLU E CA ? ? 1 +16837 C CB . GLU E 56 0.7624 1.2728 1.2972 -0.0407 -0.1602 -0.0795 59 GLU E CB ? ? 1 +16838 C CG . GLU E 56 0.8094 1.3081 1.3302 -0.0398 -0.1641 -0.0840 59 GLU E CG ? ? 1 +16839 C CD . GLU E 56 0.8525 1.3374 1.3560 -0.0352 -0.1592 -0.0818 59 GLU E CD ? ? 1 +16840 O OE1 . GLU E 56 0.8571 1.3414 1.3591 -0.0324 -0.1525 -0.0766 59 GLU E OE1 ? ? 1 +16841 O OE2 . GLU E 56 0.8917 1.3664 1.3830 -0.0343 -0.1621 -0.0855 59 GLU E OE2 ? ? 1 +16842 C C . GLU E 56 0.7118 1.2315 1.2631 -0.0426 -0.1477 -0.0706 59 GLU E C ? ? 1 +16843 O O . GLU E 56 0.7347 1.2536 1.2798 -0.0377 -0.1459 -0.0673 59 GLU E O ? ? 1 +16844 N N . GLN E 57 0.7200 1.2491 1.2870 -0.0476 -0.1464 -0.0702 60 GLN E N ? ? 1 +16845 C CA . GLN E 57 0.7399 1.2788 1.3171 -0.0471 -0.1430 -0.0658 60 GLN E CA ? ? 1 +16846 C CB . GLN E 57 0.8016 1.3523 1.3963 -0.0527 -0.1445 -0.0671 60 GLN E CB ? ? 1 +16847 C CG . GLN E 57 0.8611 1.4092 1.4620 -0.0582 -0.1396 -0.0668 60 GLN E CG ? ? 1 +16848 C CD . GLN E 57 0.9039 1.4639 1.5219 -0.0628 -0.1380 -0.0657 60 GLN E CD ? ? 1 +16849 O OE1 . GLN E 57 1.0008 1.5717 1.6272 -0.0624 -0.1413 -0.0659 60 GLN E OE1 ? ? 1 +16850 N NE2 . GLN E 57 0.8818 1.4395 1.5048 -0.0670 -0.1327 -0.0643 60 GLN E NE2 ? ? 1 +16851 C C . GLN E 57 0.7070 1.2414 1.2822 -0.0460 -0.1343 -0.0606 60 GLN E C ? ? 1 +16852 O O . GLN E 57 0.6953 1.2206 1.2647 -0.0469 -0.1306 -0.0607 60 GLN E O ? ? 1 +16853 N N . ARG E 58 0.6860 1.2268 1.2658 -0.0439 -0.1311 -0.0563 61 ARG E N ? ? 1 +16854 C CA . ARG E 58 0.6620 1.2013 1.2430 -0.0434 -0.1232 -0.0514 61 ARG E CA ? ? 1 +16855 C CB . ARG E 58 0.6979 1.2300 1.2658 -0.0377 -0.1200 -0.0485 61 ARG E CB ? ? 1 +16856 C CG . ARG E 58 0.7466 1.2658 1.3018 -0.0363 -0.1172 -0.0493 61 ARG E CG ? ? 1 +16857 C CD . ARG E 58 0.7739 1.2875 1.3190 -0.0314 -0.1119 -0.0455 61 ARG E CD ? ? 1 +16858 N NE . ARG E 58 0.8052 1.3070 1.3348 -0.0284 -0.1121 -0.0474 61 ARG E NE ? ? 1 +16859 C CZ . ARG E 58 0.8241 1.3222 1.3442 -0.0260 -0.1177 -0.0503 61 ARG E CZ ? ? 1 +16860 N NH1 . ARG E 58 0.8521 1.3572 1.3758 -0.0254 -0.1235 -0.0513 61 ARG E NH1 ? ? 1 +16861 N NH2 . ARG E 58 0.8195 1.3062 1.3257 -0.0238 -0.1176 -0.0522 61 ARG E NH2 ? ? 1 +16862 C C . ARG E 58 0.6036 1.1542 1.1986 -0.0452 -0.1209 -0.0483 61 ARG E C ? ? 1 +16863 O O . ARG E 58 0.6066 1.1573 1.2028 -0.0441 -0.1149 -0.0440 61 ARG E O ? ? 1 +16864 N N . SER E 59 0.5670 1.1272 1.1727 -0.0481 -0.1257 -0.0507 62 SER E N ? ? 1 +16865 C CA . SER E 59 0.5214 1.0925 1.1409 -0.0503 -0.1235 -0.0483 62 SER E CA ? ? 1 +16866 C CB . SER E 59 0.5144 1.0959 1.1409 -0.0497 -0.1296 -0.0503 62 SER E CB ? ? 1 +16867 O OG . SER E 59 0.5247 1.1093 1.1566 -0.0536 -0.1351 -0.0553 62 SER E OG ? ? 1 +16868 C C . SER E 59 0.4891 1.0612 1.1178 -0.0562 -0.1208 -0.0489 62 SER E C ? ? 1 +16869 O O . SER E 59 0.5034 1.0717 1.1313 -0.0594 -0.1234 -0.0528 62 SER E O ? ? 1 +16870 N N . ILE E 60 0.4479 1.0247 1.0847 -0.0575 -0.1156 -0.0451 63 ILE E N ? ? 1 +16871 C CA . ILE E 60 0.4269 1.0049 1.0724 -0.0628 -0.1124 -0.0450 63 ILE E CA ? ? 1 +16872 C CB . ILE E 60 0.4228 1.0031 1.0728 -0.0624 -0.1058 -0.0398 63 ILE E CB ? ? 1 +16873 C CG1 . ILE E 60 0.4323 1.0036 1.0721 -0.0585 -0.1008 -0.0365 63 ILE E CG1 ? ? 1 +16874 C CG2 . ILE E 60 0.4240 1.0064 1.0837 -0.0679 -0.1028 -0.0396 63 ILE E CG2 ? ? 1 +16875 C CD1 . ILE E 60 0.4497 1.0119 1.0754 -0.0546 -0.1029 -0.0383 63 ILE E CD1 ? ? 1 +16876 C C . ILE E 60 0.4069 0.9948 1.0646 -0.0672 -0.1167 -0.0483 63 ILE E C ? ? 1 +16877 O O . ILE E 60 0.3935 0.9907 1.0569 -0.0657 -0.1195 -0.0482 63 ILE E O ? ? 1 +16878 N N . PRO E 61 0.3959 0.9823 1.0582 -0.0727 -0.1172 -0.0513 64 PRO E N ? ? 1 +16879 C CA . PRO E 61 0.3856 0.9821 1.0612 -0.0777 -0.1200 -0.0540 64 PRO E CA ? ? 1 +16880 C CB . PRO E 61 0.3956 0.9856 1.0702 -0.0826 -0.1213 -0.0580 64 PRO E CB ? ? 1 +16881 C CG . PRO E 61 0.4019 0.9793 1.0665 -0.0814 -0.1159 -0.0553 64 PRO E CG ? ? 1 +16882 C CD . PRO E 61 0.4029 0.9775 1.0579 -0.0746 -0.1149 -0.0522 64 PRO E CD ? ? 1 +16883 C C . PRO E 61 0.3683 0.9717 1.0545 -0.0799 -0.1147 -0.0503 64 PRO E C ? ? 1 +16884 O O . PRO E 61 0.3637 0.9661 1.0556 -0.0849 -0.1117 -0.0504 64 PRO E O ? ? 1 +16885 N N . LEU E 62 0.3601 0.9698 1.0483 -0.0760 -0.1137 -0.0470 65 LEU E N ? ? 1 +16886 C CA . LEU E 62 0.3481 0.9638 1.0450 -0.0773 -0.1088 -0.0432 65 LEU E CA ? ? 1 +16887 C CB . LEU E 62 0.3450 0.9619 1.0378 -0.0716 -0.1067 -0.0390 65 LEU E CB ? ? 1 +16888 C CG . LEU E 62 0.3469 0.9653 1.0440 -0.0721 -0.1004 -0.0344 65 LEU E CG ? ? 1 +16889 C CD1 . LEU E 62 0.3554 0.9628 1.0439 -0.0712 -0.0955 -0.0319 65 LEU E CD1 ? ? 1 +16890 C CD2 . LEU E 62 0.3450 0.9701 1.0438 -0.0679 -0.0999 -0.0314 65 LEU E CD2 ? ? 1 +16891 C C . LEU E 62 0.3329 0.9609 1.0438 -0.0812 -0.1111 -0.0455 65 LEU E C ? ? 1 +16892 O O . LEU E 62 0.3246 0.9595 1.0384 -0.0798 -0.1166 -0.0482 65 LEU E O ? ? 1 +16893 N N . VAL E 63 0.3252 0.9553 1.0444 -0.0860 -0.1069 -0.0444 66 VAL E N ? ? 1 +16894 C CA . VAL E 63 0.3206 0.9624 1.0537 -0.0898 -0.1075 -0.0458 66 VAL E CA ? ? 1 +16895 C CB . VAL E 63 0.3170 0.9564 1.0554 -0.0956 -0.1019 -0.0446 66 VAL E CB ? ? 1 +16896 C CG1 . VAL E 63 0.3176 0.9690 1.0702 -0.0993 -0.1009 -0.0449 66 VAL E CG1 ? ? 1 +16897 C CG2 . VAL E 63 0.3247 0.9558 1.0600 -0.1001 -0.1030 -0.0481 66 VAL E CG2 ? ? 1 +16898 C C . VAL E 63 0.3135 0.9645 1.0511 -0.0859 -0.1070 -0.0429 66 VAL E C ? ? 1 +16899 O O . VAL E 63 0.3170 0.9653 1.0512 -0.0833 -0.1024 -0.0383 66 VAL E O ? ? 1 +16900 N N . THR E 64 0.3115 0.9731 1.0566 -0.0854 -0.1119 -0.0457 67 THR E N ? ? 1 +16901 C CA . THR E 64 0.3075 0.9775 1.0563 -0.0812 -0.1121 -0.0434 67 THR E CA ? ? 1 +16902 C CB . THR E 64 0.3092 0.9794 1.0508 -0.0755 -0.1181 -0.0449 67 THR E CB ? ? 1 +16903 O OG1 . THR E 64 0.3146 0.9913 1.0622 -0.0773 -0.1244 -0.0502 67 THR E OG1 ? ? 1 +16904 C CG2 . THR E 64 0.3141 0.9716 1.0407 -0.0722 -0.1179 -0.0438 67 THR E CG2 ? ? 1 +16905 C C . THR E 64 0.3067 0.9900 1.0703 -0.0842 -0.1123 -0.0447 67 THR E C ? ? 1 +16906 O O . THR E 64 0.2996 0.9902 1.0669 -0.0808 -0.1125 -0.0430 67 THR E O ? ? 1 +16907 N N . ASP E 65 0.3177 1.0038 1.0898 -0.0906 -0.1121 -0.0478 68 ASP E N ? ? 1 +16908 C CA . ASP E 65 0.3259 1.0246 1.1128 -0.0941 -0.1117 -0.0492 68 ASP E CA ? ? 1 +16909 C CB . ASP E 65 0.3472 1.0543 1.1411 -0.0956 -0.1187 -0.0551 68 ASP E CB ? ? 1 +16910 C CG . ASP E 65 0.3601 1.0813 1.1699 -0.0987 -0.1185 -0.0569 68 ASP E CG ? ? 1 +16911 O OD1 . ASP E 65 0.3676 1.0961 1.1811 -0.0949 -0.1178 -0.0547 68 ASP E OD1 ? ? 1 +16912 O OD2 . ASP E 65 0.3838 1.1084 1.2021 -0.1051 -0.1185 -0.0604 68 ASP E OD2 ? ? 1 +16913 C C . ASP E 65 0.3221 1.0185 1.1143 -0.1007 -0.1056 -0.0482 68 ASP E C ? ? 1 +16914 O O . ASP E 65 0.3586 1.0459 1.1461 -0.1042 -0.1047 -0.0494 68 ASP E O ? ? 1 +16915 N N . ARG E 66 0.2915 0.9955 1.0930 -0.1023 -0.1014 -0.0462 69 ARG E N ? ? 1 +16916 C CA . ARG E 66 0.2718 0.9730 1.0774 -0.1080 -0.0951 -0.0446 69 ARG E CA ? ? 1 +16917 C CB . ARG E 66 0.2502 0.9589 1.0631 -0.1075 -0.0904 -0.0413 69 ARG E CB ? ? 1 +16918 C CG . ARG E 66 0.2418 0.9471 1.0582 -0.1133 -0.0836 -0.0394 69 ARG E CG ? ? 1 +16919 C CD . ARG E 66 0.2267 0.9360 1.0464 -0.1119 -0.0785 -0.0352 69 ARG E CD ? ? 1 +16920 N NE . ARG E 66 0.2210 0.9270 1.0440 -0.1177 -0.0722 -0.0339 69 ARG E NE ? ? 1 +16921 C CZ . ARG E 66 0.2068 0.9154 1.0332 -0.1180 -0.0668 -0.0305 69 ARG E CZ ? ? 1 +16922 N NH1 . ARG E 66 0.1966 0.9097 1.0224 -0.1127 -0.0666 -0.0278 69 ARG E NH1 ? ? 1 +16923 N NH2 . ARG E 66 0.2070 0.9128 1.0368 -0.1239 -0.0615 -0.0299 69 ARG E NH2 ? ? 1 +16924 C C . ARG E 66 0.2812 0.9852 1.0952 -0.1153 -0.0962 -0.0494 69 ARG E C ? ? 1 +16925 O O . ARG E 66 0.2847 0.9792 1.0947 -0.1195 -0.0938 -0.0497 69 ARG E O ? ? 1 +16926 N N . PHE E 67 0.2844 1.0015 1.1105 -0.1169 -0.0999 -0.0533 70 PHE E N ? ? 1 +16927 C CA . PHE E 67 0.2932 1.0153 1.1301 -0.1245 -0.1001 -0.0577 70 PHE E CA ? ? 1 +16928 C CB . PHE E 67 0.2772 1.0153 1.1293 -0.1258 -0.1002 -0.0594 70 PHE E CB ? ? 1 +16929 C CG . PHE E 67 0.2612 1.0010 1.1150 -0.1244 -0.0936 -0.0542 70 PHE E CG ? ? 1 +16930 C CD1 . PHE E 67 0.2586 0.9922 1.1123 -0.1292 -0.0863 -0.0515 70 PHE E CD1 ? ? 1 +16931 C CD2 . PHE E 67 0.2511 0.9975 1.1053 -0.1180 -0.0947 -0.0520 70 PHE E CD2 ? ? 1 +16932 C CE1 . PHE E 67 0.2512 0.9858 1.1057 -0.1277 -0.0804 -0.0468 70 PHE E CE1 ? ? 1 +16933 C CE2 . PHE E 67 0.2424 0.9900 1.0978 -0.1167 -0.0887 -0.0474 70 PHE E CE2 ? ? 1 +16934 C CZ . PHE E 67 0.2431 0.9848 1.0984 -0.1216 -0.0817 -0.0449 70 PHE E CZ ? ? 1 +16935 C C . PHE E 67 0.3194 1.0393 1.1544 -0.1264 -0.1065 -0.0631 70 PHE E C ? ? 1 +16936 O O . PHE E 67 0.3215 1.0413 1.1623 -0.1332 -0.1060 -0.0665 70 PHE E O ? ? 1 +16937 N N . GLU E 68 0.3556 1.0728 1.1817 -0.1203 -0.1122 -0.0638 71 GLU E N ? ? 1 +16938 C CA . GLU E 68 0.3916 1.1047 1.2130 -0.1210 -0.1185 -0.0685 71 GLU E CA ? ? 1 +16939 C CB . GLU E 68 0.4336 1.1553 1.2559 -0.1153 -0.1263 -0.0713 71 GLU E CB ? ? 1 +16940 C CG . GLU E 68 0.4675 1.2062 1.3053 -0.1159 -0.1284 -0.0736 71 GLU E CG ? ? 1 +16941 C CD . GLU E 68 0.5269 1.2734 1.3784 -0.1240 -0.1291 -0.0788 71 GLU E CD ? ? 1 +16942 O OE1 . GLU E 68 0.5735 1.3145 1.4222 -0.1276 -0.1323 -0.0827 71 GLU E OE1 ? ? 1 +16943 O OE2 . GLU E 68 0.5793 1.3374 1.4444 -0.1268 -0.1264 -0.0791 71 GLU E OE2 ? ? 1 +16944 C C . GLU E 68 0.3844 1.0810 1.1897 -0.1191 -0.1173 -0.0664 71 GLU E C ? ? 1 +16945 O O . GLU E 68 0.3851 1.0768 1.1835 -0.1178 -0.1226 -0.0696 71 GLU E O ? ? 1 +16946 N N . ALA E 69 0.3681 1.0565 1.1676 -0.1186 -0.1105 -0.0612 72 ALA E N ? ? 1 +16947 C CA . ALA E 69 0.3666 1.0399 1.1514 -0.1164 -0.1087 -0.0588 72 ALA E CA ? ? 1 +16948 C CB . ALA E 69 0.3567 1.0239 1.1380 -0.1157 -0.1011 -0.0530 72 ALA E CB ? ? 1 +16949 C C . ALA E 69 0.3780 1.0427 1.1596 -0.1216 -0.1099 -0.0626 72 ALA E C ? ? 1 +16950 O O . ALA E 69 0.3834 1.0381 1.1534 -0.1190 -0.1122 -0.0632 72 ALA E O ? ? 1 +16951 N N . LYS E 70 0.3814 1.0494 1.1731 -0.1290 -0.1079 -0.0649 73 LYS E N ? ? 1 +16952 C CA . LYS E 70 0.4009 1.0609 1.1904 -0.1347 -0.1088 -0.0687 73 LYS E CA ? ? 1 +16953 C CB . LYS E 70 0.4090 1.0740 1.2110 -0.1431 -0.1053 -0.0705 73 LYS E CB ? ? 1 +16954 C CG . LYS E 70 0.4251 1.0801 1.2244 -0.1497 -0.1050 -0.0740 73 LYS E CG ? ? 1 +16955 C CD . LYS E 70 0.4332 1.0918 1.2439 -0.1582 -0.1006 -0.0752 73 LYS E CD ? ? 1 +16956 C CE . LYS E 70 0.4552 1.1032 1.2629 -0.1649 -0.1003 -0.0787 73 LYS E CE ? ? 1 +16957 N NZ . LYS E 70 0.4713 1.1222 1.2800 -0.1659 -0.1084 -0.0851 73 LYS E NZ ? ? 1 +16958 C C . LYS E 70 0.4162 1.0779 1.2035 -0.1335 -0.1171 -0.0742 73 LYS E C ? ? 1 +16959 O O . LYS E 70 0.4259 1.0763 1.2030 -0.1335 -0.1189 -0.0758 73 LYS E O ? ? 1 +16960 N N . GLN E 71 0.4256 1.1012 1.2223 -0.1321 -0.1223 -0.0770 74 GLN E N ? ? 1 +16961 C CA . GLN E 71 0.4498 1.1281 1.2448 -0.1303 -0.1308 -0.0823 74 GLN E CA ? ? 1 +16962 C CB . GLN E 71 0.4774 1.1732 1.2863 -0.1300 -0.1357 -0.0855 74 GLN E CB ? ? 1 +16963 C CG . GLN E 71 0.5217 1.2263 1.3461 -0.1384 -0.1343 -0.0891 74 GLN E CG ? ? 1 +16964 C CD . GLN E 71 0.5828 1.3048 1.4210 -0.1381 -0.1400 -0.0932 74 GLN E CD ? ? 1 +16965 O OE1 . GLN E 71 0.6552 1.3809 1.4942 -0.1376 -0.1478 -0.0986 74 GLN E OE1 ? ? 1 +16966 N NE2 . GLN E 71 0.5983 1.3315 1.4477 -0.1383 -0.1364 -0.0911 74 GLN E NE2 ? ? 1 +16967 C C . GLN E 71 0.4320 1.1019 1.2116 -0.1224 -0.1336 -0.0803 74 GLN E C ? ? 1 +16968 O O . GLN E 71 0.4342 1.0975 1.2057 -0.1217 -0.1384 -0.0837 74 GLN E O ? ? 1 +16969 N N . GLN E 72 0.4136 1.0835 1.1890 -0.1165 -0.1305 -0.0750 75 GLN E N ? ? 1 +16970 C CA . GLN E 72 0.4159 1.0773 1.1766 -0.1093 -0.1319 -0.0726 75 GLN E CA ? ? 1 +16971 C CB . GLN E 72 0.4131 1.0755 1.1714 -0.1042 -0.1272 -0.0665 75 GLN E CB ? ? 1 +16972 C CG . GLN E 72 0.4121 1.0865 1.1761 -0.0997 -0.1309 -0.0664 75 GLN E CG ? ? 1 +16973 C CD . GLN E 72 0.4062 1.0793 1.1651 -0.0940 -0.1269 -0.0606 75 GLN E CD ? ? 1 +16974 O OE1 . GLN E 72 0.4042 1.0684 1.1563 -0.0936 -0.1212 -0.0565 75 GLN E OE1 ? ? 1 +16975 N NE2 . GLN E 72 0.4092 1.0912 1.1713 -0.0896 -0.1299 -0.0603 75 GLN E NE2 ? ? 1 +16976 C C . GLN E 72 0.4166 1.0622 1.1644 -0.1101 -0.1301 -0.0724 75 GLN E C ? ? 1 +16977 O O . GLN E 72 0.4230 1.0620 1.1601 -0.1065 -0.1344 -0.0742 75 GLN E O ? ? 1 +16978 N N . VAL E 73 0.4062 1.0453 1.1546 -0.1144 -0.1237 -0.0702 76 VAL E N ? ? 1 +16979 C CA . VAL E 73 0.4110 1.0348 1.1475 -0.1150 -0.1213 -0.0697 76 VAL E CA ? ? 1 +16980 C CB . VAL E 73 0.4031 1.0207 1.1406 -0.1188 -0.1135 -0.0661 76 VAL E CB ? ? 1 +16981 C CG1 . VAL E 73 0.4114 1.0130 1.1366 -0.1192 -0.1115 -0.0660 76 VAL E CG1 ? ? 1 +16982 C CG2 . VAL E 73 0.3903 1.0108 1.1283 -0.1147 -0.1084 -0.0600 76 VAL E CG2 ? ? 1 +16983 C C . VAL E 73 0.4210 1.0412 1.1558 -0.1188 -0.1268 -0.0759 76 VAL E C ? ? 1 +16984 O O . VAL E 73 0.4340 1.0436 1.1565 -0.1163 -0.1287 -0.0769 76 VAL E O ? ? 1 +16985 N N . GLU E 74 0.4191 1.0483 1.1666 -0.1249 -0.1291 -0.0801 77 GLU E N ? ? 1 +16986 C CA . GLU E 74 0.4317 1.0588 1.1792 -0.1290 -0.1347 -0.0865 77 GLU E CA ? ? 1 +16987 C CB . GLU E 74 0.4441 1.0825 1.2081 -0.1367 -0.1355 -0.0903 77 GLU E CB ? ? 1 +16988 C CG . GLU E 74 0.4540 1.0877 1.2220 -0.1427 -0.1276 -0.0877 77 GLU E CG ? ? 1 +16989 C CD . GLU E 74 0.4651 1.1098 1.2497 -0.1502 -0.1260 -0.0900 77 GLU E CD ? ? 1 +16990 O OE1 . GLU E 74 0.4730 1.1295 1.2678 -0.1523 -0.1319 -0.0951 77 GLU E OE1 ? ? 1 +16991 O OE2 . GLU E 74 0.4734 1.1148 1.2607 -0.1539 -0.1188 -0.0866 77 GLU E OE2 ? ? 1 +16992 C C . GLU E 74 0.4259 1.0545 1.1667 -0.1235 -0.1426 -0.0894 77 GLU E C ? ? 1 +16993 O O . GLU E 74 0.4269 1.0466 1.1585 -0.1235 -0.1463 -0.0928 77 GLU E O ? ? 1 +16994 N N . THR E 75 0.4218 1.0611 1.1666 -0.1184 -0.1451 -0.0880 78 THR E N ? ? 1 +16995 C CA . THR E 75 0.4350 1.0756 1.1727 -0.1123 -0.1522 -0.0901 78 THR E CA ? ? 1 +16996 C CB . THR E 75 0.4241 1.0772 1.1681 -0.1074 -0.1537 -0.0880 78 THR E CB ? ? 1 +16997 O OG1 . THR E 75 0.4238 1.0905 1.1850 -0.1123 -0.1536 -0.0898 78 THR E OG1 ? ? 1 +16998 C CG2 . THR E 75 0.4270 1.0822 1.1645 -0.1013 -0.1618 -0.0907 78 THR E CG2 ? ? 1 +16999 C C . THR E 75 0.4532 1.0790 1.1728 -0.1069 -0.1511 -0.0876 78 THR E C ? ? 1 +17000 O O . THR E 75 0.4704 1.0905 1.1810 -0.1050 -0.1565 -0.0912 78 THR E O ? ? 1 +17001 N N . PHE E 76 0.4584 1.0785 1.1729 -0.1043 -0.1441 -0.0816 79 PHE E N ? ? 1 +17002 C CA . PHE E 76 0.4806 1.0873 1.1790 -0.0994 -0.1420 -0.0790 79 PHE E CA ? ? 1 +17003 C CB . PHE E 76 0.4810 1.0844 1.1773 -0.0971 -0.1340 -0.0723 79 PHE E CB ? ? 1 +17004 C CG . PHE E 76 0.4845 1.0976 1.1856 -0.0929 -0.1329 -0.0685 79 PHE E CG ? ? 1 +17005 C CD1 . PHE E 76 0.4941 1.1111 1.1911 -0.0872 -0.1379 -0.0691 79 PHE E CD1 ? ? 1 +17006 C CD2 . PHE E 76 0.4843 1.1014 1.1928 -0.0942 -0.1267 -0.0642 79 PHE E CD2 ? ? 1 +17007 C CE1 . PHE E 76 0.4907 1.1157 1.1915 -0.0832 -0.1367 -0.0655 79 PHE E CE1 ? ? 1 +17008 C CE2 . PHE E 76 0.4774 1.1029 1.1898 -0.0902 -0.1256 -0.0607 79 PHE E CE2 ? ? 1 +17009 C CZ . PHE E 76 0.4789 1.1082 1.1875 -0.0848 -0.1306 -0.0614 79 PHE E CZ ? ? 1 +17010 C C . PHE E 76 0.4986 1.0929 1.1890 -0.1028 -0.1424 -0.0822 79 PHE E C ? ? 1 +17011 O O . PHE E 76 0.5149 1.1008 1.1928 -0.0991 -0.1456 -0.0837 79 PHE E O ? ? 1 +17012 N N . LEU E 77 0.5045 1.0974 1.2020 -0.1098 -0.1393 -0.0833 80 LEU E N ? ? 1 +17013 C CA . LEU E 77 0.5395 1.1201 1.2299 -0.1134 -0.1390 -0.0862 80 LEU E CA ? ? 1 +17014 C CB . LEU E 77 0.5296 1.1093 1.2289 -0.1210 -0.1339 -0.0859 80 LEU E CB ? ? 1 +17015 C CG . LEU E 77 0.5229 1.0980 1.2211 -0.1203 -0.1254 -0.0797 80 LEU E CG ? ? 1 +17016 C CD1 . LEU E 77 0.5241 1.0963 1.2291 -0.1280 -0.1212 -0.0803 80 LEU E CD1 ? ? 1 +17017 C CD2 . LEU E 77 0.5236 1.0853 1.2062 -0.1146 -0.1226 -0.0766 80 LEU E CD2 ? ? 1 +17018 C C . LEU E 77 0.6002 1.1806 1.2883 -0.1148 -0.1472 -0.0929 80 LEU E C ? ? 1 +17019 O O . LEU E 77 0.6088 1.1770 1.2852 -0.1142 -0.1485 -0.0949 80 LEU E O ? ? 1 +17020 N N . GLU E 78 0.6621 1.2560 1.3615 -0.1164 -0.1529 -0.0964 81 GLU E N ? ? 1 +17021 C CA . GLU E 78 0.7247 1.3203 1.4222 -0.1165 -0.1615 -0.1027 81 GLU E CA ? ? 1 +17022 C CB . GLU E 78 0.7473 1.3603 1.4596 -0.1177 -0.1672 -0.1059 81 GLU E CB ? ? 1 +17023 C CG . GLU E 78 0.7702 1.3930 1.4998 -0.1259 -0.1653 -0.1079 81 GLU E CG ? ? 1 +17024 C CD . GLU E 78 0.8089 1.4254 1.5397 -0.1336 -0.1664 -0.1130 81 GLU E CD ? ? 1 +17025 O OE1 . GLU E 78 0.8488 1.4627 1.5744 -0.1334 -0.1735 -0.1183 81 GLU E OE1 ? ? 1 +17026 O OE2 . GLU E 78 0.8422 1.4562 1.5787 -0.1397 -0.1602 -0.1117 81 GLU E OE2 ? ? 1 +17027 C C . GLU E 78 0.7603 1.3481 1.4417 -0.1086 -0.1649 -0.1021 81 GLU E C ? ? 1 +17028 O O . GLU E 78 0.7680 1.3472 1.4397 -0.1085 -0.1691 -0.1061 81 GLU E O ? ? 1 +17029 N N . GLN E 79 0.8010 1.3915 1.4793 -0.1022 -0.1627 -0.0972 82 GLN E N ? ? 1 +17030 C CA . GLN E 79 0.8630 1.4478 1.5270 -0.0945 -0.1657 -0.0963 82 GLN E CA ? ? 1 +17031 C CB . GLN E 79 0.8990 1.4916 1.5651 -0.0888 -0.1639 -0.0914 82 GLN E CB ? ? 1 +17032 C CG . GLN E 79 0.9421 1.5507 1.6217 -0.0892 -0.1691 -0.0936 82 GLN E CG ? ? 1 +17033 C CD . GLN E 79 0.9914 1.6069 1.6734 -0.0842 -0.1664 -0.0885 82 GLN E CD ? ? 1 +17034 O OE1 . GLN E 79 0.9780 1.5865 1.6516 -0.0804 -0.1607 -0.0832 82 GLN E OE1 ? ? 1 +17035 N NE2 . GLN E 79 0.9939 1.6235 1.6877 -0.0840 -0.1705 -0.0900 82 GLN E NE2 ? ? 1 +17036 C C . GLN E 79 0.8933 1.4615 1.5411 -0.0920 -0.1618 -0.0944 82 GLN E C ? ? 1 +17037 O O . GLN E 79 0.9149 1.4775 1.5504 -0.0855 -0.1621 -0.0924 82 GLN E O ? ? 1 +17038 N N . LEU E 80 0.9067 1.4671 1.5545 -0.0972 -0.1579 -0.0951 83 LEU E N ? ? 1 +17039 C CA . LEU E 80 0.9243 1.4686 1.5571 -0.0956 -0.1554 -0.0948 83 LEU E CA ? ? 1 +17040 C CB . LEU E 80 0.8964 1.4347 1.5319 -0.0999 -0.1477 -0.0921 83 LEU E CB ? ? 1 +17041 C CG . LEU E 80 0.8551 1.3968 1.4948 -0.0977 -0.1404 -0.0853 83 LEU E CG ? ? 1 +17042 C CD1 . LEU E 80 0.8417 1.3748 1.4810 -0.1012 -0.1335 -0.0831 83 LEU E CD1 ? ? 1 +17043 C CD2 . LEU E 80 0.8376 1.3763 1.4666 -0.0897 -0.1390 -0.0815 83 LEU E CD2 ? ? 1 +17044 C C . LEU E 80 0.9980 1.5359 1.6238 -0.0973 -0.1621 -0.1013 83 LEU E C ? ? 1 +17045 O O . LEU E 80 0.9885 1.5129 1.6023 -0.0968 -0.1606 -0.1021 83 LEU E O ? ? 1 +17046 N N . LYS E 81 1.0804 1.6285 1.7137 -0.0988 -0.1697 -0.1060 84 LYS E N ? ? 1 +17047 C CA . LYS E 81 1.1124 1.6570 1.7410 -0.1006 -0.1775 -0.1128 84 LYS E CA ? ? 1 +17048 C CB . LYS E 81 1.1491 1.6836 1.7592 -0.0933 -0.1807 -0.1132 84 LYS E CB ? ? 1 +17049 C CG . LYS E 81 1.1675 1.7095 1.7756 -0.0862 -0.1836 -0.1109 84 LYS E CG ? ? 1 +17050 C CD . LYS E 81 1.1786 1.7174 1.7812 -0.0809 -0.1760 -0.1036 84 LYS E CD ? ? 1 +17051 C CE . LYS E 81 1.1715 1.7152 1.7697 -0.0738 -0.1789 -0.1016 84 LYS E CE ? ? 1 +17052 N NZ . LYS E 81 1.1565 1.6919 1.7432 -0.0682 -0.1724 -0.0958 84 LYS E NZ ? ? 1 +17053 C C . LYS E 81 1.1212 1.6578 1.7510 -0.1080 -0.1761 -0.1163 84 LYS E C ? ? 1 +17054 O O . LYS E 81 1.0917 1.6292 1.7300 -0.1129 -0.1701 -0.1141 84 LYS E O ? ? 1 +17055 O OXT . LYS E 81 1.1546 1.6838 1.7767 -0.1092 -0.1811 -0.1215 84 LYS E OXT ? ? 1 +17056 N N . SER F 1 1.1677 1.0902 1.4639 -0.0976 0.0747 0.0613 12 SER F N ? ? 1 +17057 C CA . SER F 1 1.1582 1.0914 1.4552 -0.0890 0.0726 0.0654 12 SER F CA ? ? 1 +17058 C CB . SER F 1 1.1584 1.0896 1.4484 -0.0742 0.0669 0.0663 12 SER F CB ? ? 1 +17059 O OG . SER F 1 1.1561 1.0890 1.4407 -0.0652 0.0658 0.0710 12 SER F OG ? ? 1 +17060 C C . SER F 1 1.1250 1.0880 1.4432 -0.0933 0.0708 0.0638 12 SER F C ? ? 1 +17061 O O . SER F 1 1.1414 1.1092 1.4623 -0.0975 0.0742 0.0665 12 SER F O ? ? 1 +17062 N N . TYR F 2 1.0813 1.0633 1.4139 -0.0924 0.0656 0.0595 13 TYR F N ? ? 1 +17063 C CA . TYR F 2 1.0319 1.0420 1.3845 -0.0960 0.0633 0.0576 13 TYR F CA ? ? 1 +17064 C CB . TYR F 2 1.0104 1.0376 1.3715 -0.0868 0.0563 0.0556 13 TYR F CB ? ? 1 +17065 C CG . TYR F 2 1.0106 1.0355 1.3631 -0.0735 0.0534 0.0594 13 TYR F CG ? ? 1 +17066 C CD1 . TYR F 2 1.0030 1.0367 1.3574 -0.0704 0.0537 0.0632 13 TYR F CD1 ? ? 1 +17067 C CD2 . TYR F 2 1.0122 1.0265 1.3551 -0.0639 0.0502 0.0590 13 TYR F CD2 ? ? 1 +17068 C CE1 . TYR F 2 1.0043 1.0365 1.3513 -0.0582 0.0506 0.0664 13 TYR F CE1 ? ? 1 +17069 C CE2 . TYR F 2 1.0117 1.0249 1.3476 -0.0515 0.0473 0.0622 13 TYR F CE2 ? ? 1 +17070 C CZ . TYR F 2 1.0095 1.0317 1.3475 -0.0488 0.0474 0.0659 13 TYR F CZ ? ? 1 +17071 O OH . TYR F 2 1.0334 1.0549 1.3648 -0.0367 0.0441 0.0687 13 TYR F OH ? ? 1 +17072 C C . TYR F 2 1.0124 1.0311 1.3780 -0.1091 0.0651 0.0531 13 TYR F C ? ? 1 +17073 O O . TYR F 2 1.0311 1.0380 1.3929 -0.1139 0.0660 0.0500 13 TYR F O ? ? 1 +17074 N N . PRO F 3 0.9737 1.0131 1.3549 -0.1152 0.0656 0.0525 14 PRO F N ? ? 1 +17075 C CA . PRO F 3 0.9458 0.9981 1.3421 -0.1261 0.0658 0.0476 14 PRO F CA ? ? 1 +17076 C CB . PRO F 3 0.9361 1.0073 1.3452 -0.1306 0.0675 0.0490 14 PRO F CB ? ? 1 +17077 C CG . PRO F 3 0.9534 1.0147 1.3504 -0.1244 0.0702 0.0549 14 PRO F CG ? ? 1 +17078 C CD . PRO F 3 0.9575 1.0077 1.3419 -0.1122 0.0664 0.0565 14 PRO F CD ? ? 1 +17079 C C . PRO F 3 0.9062 0.9729 1.3127 -0.1231 0.0594 0.0430 14 PRO F C ? ? 1 +17080 O O . PRO F 3 0.8974 0.9700 1.3030 -0.1125 0.0548 0.0438 14 PRO F O ? ? 1 +17081 N N . ILE F 4 0.8814 0.9532 1.2972 -0.1325 0.0593 0.0381 15 ILE F N ? ? 1 +17082 C CA . ILE F 4 0.8535 0.9402 1.2800 -0.1310 0.0535 0.0335 15 ILE F CA ? ? 1 +17083 C CB . ILE F 4 0.8684 0.9445 1.2932 -0.1382 0.0538 0.0286 15 ILE F CB ? ? 1 +17084 C CG1 . ILE F 4 0.8933 0.9439 1.2995 -0.1328 0.0546 0.0296 15 ILE F CG1 ? ? 1 +17085 C CG2 . ILE F 4 0.8526 0.9472 1.2909 -0.1386 0.0480 0.0235 15 ILE F CG2 ? ? 1 +17086 C CD1 . ILE F 4 0.9132 0.9482 1.3146 -0.1414 0.0567 0.0257 15 ILE F CD1 ? ? 1 +17087 C C . ILE F 4 0.8115 0.9252 1.2570 -0.1345 0.0514 0.0319 15 ILE F C ? ? 1 +17088 O O . ILE F 4 0.7928 0.9227 1.2459 -0.1277 0.0464 0.0313 15 ILE F O ? ? 1 +17089 N N . PHE F 5 0.7995 0.9176 1.2528 -0.1452 0.0553 0.0312 16 PHE F N ? ? 1 +17090 C CA . PHE F 5 0.7665 0.9091 1.2383 -0.1501 0.0536 0.0289 16 PHE F CA ? ? 1 +17091 C CB . PHE F 5 0.7732 0.9162 1.2527 -0.1632 0.0562 0.0246 16 PHE F CB ? ? 1 +17092 C CG . PHE F 5 0.7862 0.9210 1.2630 -0.1652 0.0535 0.0199 16 PHE F CG ? ? 1 +17093 C CD1 . PHE F 5 0.7740 0.9243 1.2610 -0.1634 0.0474 0.0157 16 PHE F CD1 ? ? 1 +17094 C CD2 . PHE F 5 0.8148 0.9253 1.2777 -0.1682 0.0569 0.0197 16 PHE F CD2 ? ? 1 +17095 C CE1 . PHE F 5 0.7848 0.9269 1.2684 -0.1650 0.0449 0.0113 16 PHE F CE1 ? ? 1 +17096 C CE2 . PHE F 5 0.8262 0.9285 1.2860 -0.1698 0.0543 0.0153 16 PHE F CE2 ? ? 1 +17097 C CZ . PHE F 5 0.8108 0.9292 1.2810 -0.1681 0.0483 0.0110 16 PHE F CZ ? ? 1 +17098 C C . PHE F 5 0.7462 0.8974 1.2205 -0.1479 0.0559 0.0335 16 PHE F C ? ? 1 +17099 O O . PHE F 5 0.7576 0.9008 1.2283 -0.1534 0.0616 0.0359 16 PHE F O ? ? 1 +17100 N N . THR F 6 0.7190 0.8847 1.1979 -0.1390 0.0515 0.0348 17 THR F N ? ? 1 +17101 C CA . THR F 6 0.6996 0.8767 1.1827 -0.1360 0.0524 0.0386 17 THR F CA ? ? 1 +17102 C CB . THR F 6 0.6959 0.8667 1.1678 -0.1237 0.0504 0.0428 17 THR F CB ? ? 1 +17103 O OG1 . THR F 6 0.6817 0.8586 1.1557 -0.1168 0.0447 0.0404 17 THR F OG1 ? ? 1 +17104 C CG2 . THR F 6 0.7203 0.8653 1.1736 -0.1217 0.0543 0.0459 17 THR F CG2 ? ? 1 +17105 C C . THR F 6 0.6726 0.8759 1.1737 -0.1371 0.0485 0.0360 17 THR F C ? ? 1 +17106 O O . THR F 6 0.6695 0.8816 1.1790 -0.1392 0.0448 0.0316 17 THR F O ? ? 1 +17107 N N . VAL F 7 0.6535 0.8688 1.1600 -0.1351 0.0492 0.0389 18 VAL F N ? ? 1 +17108 C CA . VAL F 7 0.6213 0.8607 1.1429 -0.1338 0.0452 0.0374 18 VAL F CA ? ? 1 +17109 C CB . VAL F 7 0.6144 0.8624 1.1389 -0.1324 0.0475 0.0413 18 VAL F CB ? ? 1 +17110 C CG1 . VAL F 7 0.5893 0.8604 1.1270 -0.1286 0.0429 0.0404 18 VAL F CG1 ? ? 1 +17111 C CG2 . VAL F 7 0.6265 0.8727 1.1543 -0.1427 0.0535 0.0415 18 VAL F CG2 ? ? 1 +17112 C C . VAL F 7 0.6046 0.8502 1.1264 -0.1244 0.0390 0.0364 18 VAL F C ? ? 1 +17113 O O . VAL F 7 0.5903 0.8522 1.1238 -0.1249 0.0350 0.0332 18 VAL F O ? ? 1 +17114 N N . ARG F 8 0.6101 0.8430 1.1190 -0.1158 0.0384 0.0392 19 ARG F N ? ? 1 +17115 C CA . ARG F 8 0.5968 0.8340 1.1051 -0.1069 0.0330 0.0382 19 ARG F CA ? ? 1 +17116 C CB . ARG F 8 0.6078 0.8300 1.1014 -0.0976 0.0331 0.0418 19 ARG F CB ? ? 1 +17117 C CG . ARG F 8 0.5989 0.8272 1.0928 -0.0879 0.0278 0.0409 19 ARG F CG ? ? 1 +17118 C CD . ARG F 8 0.6123 0.8246 1.0915 -0.0790 0.0278 0.0438 19 ARG F CD ? ? 1 +17119 N NE . ARG F 8 0.6342 0.8265 1.1023 -0.0806 0.0294 0.0425 19 ARG F NE ? ? 1 +17120 C CZ . ARG F 8 0.6532 0.8278 1.1069 -0.0738 0.0299 0.0446 19 ARG F CZ ? ? 1 +17121 N NH1 . ARG F 8 0.6552 0.8291 1.1033 -0.0650 0.0289 0.0482 19 ARG F NH1 ? ? 1 +17122 N NH2 . ARG F 8 0.6726 0.8298 1.1171 -0.0759 0.0313 0.0428 19 ARG F NH2 ? ? 1 +17123 C C . ARG F 8 0.5987 0.8337 1.1087 -0.1097 0.0307 0.0334 19 ARG F C ? ? 1 +17124 O O . ARG F 8 0.5821 0.8294 1.0992 -0.1064 0.0262 0.0310 19 ARG F O ? ? 1 +17125 N N . TRP F 9 0.6206 0.8389 1.1234 -0.1159 0.0338 0.0322 20 TRP F N ? ? 1 +17126 C CA . TRP F 9 0.6279 0.8431 1.1321 -0.1198 0.0319 0.0274 20 TRP F CA ? ? 1 +17127 C CB . TRP F 9 0.6558 0.8506 1.1507 -0.1270 0.0364 0.0268 20 TRP F CB ? ? 1 +17128 C CG . TRP F 9 0.6710 0.8593 1.1649 -0.1307 0.0346 0.0220 20 TRP F CG ? ? 1 +17129 C CD1 . TRP F 9 0.6920 0.8631 1.1734 -0.1265 0.0340 0.0213 20 TRP F CD1 ? ? 1 +17130 N NE1 . TRP F 9 0.6982 0.8676 1.1823 -0.1321 0.0323 0.0163 20 TRP F NE1 ? ? 1 +17131 C CE2 . TRP F 9 0.6828 0.8690 1.1817 -0.1401 0.0316 0.0134 20 TRP F CE2 ? ? 1 +17132 C CZ2 . TRP F 9 0.6811 0.8727 1.1880 -0.1476 0.0296 0.0080 20 TRP F CZ2 ? ? 1 +17133 C CH2 . TRP F 9 0.6673 0.8773 1.1894 -0.1543 0.0291 0.0061 20 TRP F CH2 ? ? 1 +17134 C CZ3 . TRP F 9 0.6540 0.8764 1.1831 -0.1538 0.0308 0.0096 20 TRP F CZ3 ? ? 1 +17135 C CE3 . TRP F 9 0.6547 0.8713 1.1755 -0.1466 0.0329 0.0149 20 TRP F CE3 ? ? 1 +17136 C CD2 . TRP F 9 0.6681 0.8665 1.1736 -0.1395 0.0332 0.0169 20 TRP F CD2 ? ? 1 +17137 C C . TRP F 9 0.6096 0.8451 1.1302 -0.1257 0.0292 0.0234 20 TRP F C ? ? 1 +17138 O O . TRP F 9 0.6005 0.8427 1.1252 -0.1237 0.0249 0.0199 20 TRP F O ? ? 1 +17139 N N . VAL F 10 0.6008 0.8457 1.1305 -0.1327 0.0319 0.0238 21 VAL F N ? ? 1 +17140 C CA . VAL F 10 0.5851 0.8491 1.1305 -0.1385 0.0295 0.0200 21 VAL F CA ? ? 1 +17141 C CB . VAL F 10 0.5861 0.8569 1.1399 -0.1471 0.0336 0.0206 21 VAL F CB ? ? 1 +17142 C CG1 . VAL F 10 0.5704 0.8617 1.1408 -0.1524 0.0306 0.0164 21 VAL F CG1 ? ? 1 +17143 C CG2 . VAL F 10 0.6075 0.8602 1.1539 -0.1552 0.0391 0.0204 21 VAL F CG2 ? ? 1 +17144 C C . VAL F 10 0.5625 0.8443 1.1152 -0.1309 0.0245 0.0202 21 VAL F C ? ? 1 +17145 O O . VAL F 10 0.5561 0.8485 1.1164 -0.1312 0.0203 0.0164 21 VAL F O ? ? 1 +17146 N N . ALA F 11 0.5532 0.8378 1.1033 -0.1240 0.0250 0.0245 22 ALA F N ? ? 1 +17147 C CA . ALA F 11 0.5328 0.8335 1.0893 -0.1168 0.0207 0.0250 22 ALA F CA ? ? 1 +17148 C CB . ALA F 11 0.5323 0.8326 1.0842 -0.1103 0.0222 0.0300 22 ALA F CB ? ? 1 +17149 C C . ALA F 11 0.5288 0.8282 1.0822 -0.1106 0.0164 0.0227 22 ALA F C ? ? 1 +17150 O O . ALA F 11 0.5106 0.8246 1.0726 -0.1090 0.0125 0.0204 22 ALA F O ? ? 1 +17151 N N . VAL F 12 0.5428 0.8242 1.0832 -0.1069 0.0172 0.0234 23 VAL F N ? ? 1 +17152 C CA . VAL F 12 0.5420 0.8202 1.0781 -0.1010 0.0137 0.0213 23 VAL F CA ? ? 1 +17153 C CB . VAL F 12 0.5622 0.8190 1.0827 -0.0962 0.0155 0.0231 23 VAL F CB ? ? 1 +17154 C CG1 . VAL F 12 0.5665 0.8185 1.0824 -0.0912 0.0124 0.0203 23 VAL F CG1 ? ? 1 +17155 C CG2 . VAL F 12 0.5626 0.8169 1.0772 -0.0886 0.0166 0.0281 23 VAL F CG2 ? ? 1 +17156 C C . VAL F 12 0.5380 0.8198 1.0799 -0.1069 0.0114 0.0161 23 VAL F C ? ? 1 +17157 O O . VAL F 12 0.5229 0.8145 1.0694 -0.1036 0.0075 0.0137 23 VAL F O ? ? 1 +17158 N N . HIS F 13 0.5553 0.8289 1.0967 -0.1158 0.0140 0.0142 24 HIS F N ? ? 1 +17159 C CA . HIS F 13 0.5617 0.8354 1.1065 -0.1216 0.0120 0.0090 24 HIS F CA ? ? 1 +17160 C CB . HIS F 13 0.5860 0.8418 1.1238 -0.1295 0.0160 0.0081 24 HIS F CB ? ? 1 +17161 C CG . HIS F 13 0.6091 0.8444 1.1320 -0.1251 0.0165 0.0082 24 HIS F CG ? ? 1 +17162 N ND1 . HIS F 13 0.6207 0.8523 1.1415 -0.1250 0.0134 0.0039 24 HIS F ND1 ? ? 1 +17163 C CE1 . HIS F 13 0.6356 0.8484 1.1425 -0.1203 0.0147 0.0050 24 HIS F CE1 ? ? 1 +17164 N NE2 . HIS F 13 0.6399 0.8440 1.1395 -0.1171 0.0181 0.0097 24 HIS F NE2 ? ? 1 +17165 C CD2 . HIS F 13 0.6220 0.8404 1.1317 -0.1203 0.0194 0.0119 24 HIS F CD2 ? ? 1 +17166 C C . HIS F 13 0.5424 0.8371 1.1024 -0.1256 0.0089 0.0061 24 HIS F C ? ? 1 +17167 O O . HIS F 13 0.5440 0.8432 1.1072 -0.1262 0.0052 0.0021 24 HIS F O ? ? 1 +17168 N N . THR F 14 0.5264 0.8339 1.0952 -0.1275 0.0101 0.0083 25 THR F N ? ? 1 +17169 C CA . THR F 14 0.5056 0.8333 1.0885 -0.1303 0.0071 0.0059 25 THR F CA ? ? 1 +17170 C CB . THR F 14 0.4966 0.8344 1.0879 -0.1342 0.0100 0.0082 25 THR F CB ? ? 1 +17171 O OG1 . THR F 14 0.4977 0.8335 1.0836 -0.1274 0.0117 0.0131 25 THR F OG1 ? ? 1 +17172 C CG2 . THR F 14 0.5074 0.8373 1.0992 -0.1439 0.0144 0.0075 25 THR F CG2 ? ? 1 +17173 C C . THR F 14 0.4881 0.8277 1.0740 -0.1223 0.0026 0.0057 25 THR F C ? ? 1 +17174 O O . THR F 14 0.4792 0.8322 1.0742 -0.1239 -0.0009 0.0026 25 THR F O ? ? 1 +17175 N N . LEU F 15 0.4816 0.8165 1.0599 -0.1136 0.0026 0.0089 26 LEU F N ? ? 1 +17176 C CA . LEU F 15 0.4689 0.8128 1.0486 -0.1060 -0.0013 0.0085 26 LEU F CA ? ? 1 +17177 C CB . LEU F 15 0.4675 0.8118 1.0430 -0.0975 -0.0005 0.0130 26 LEU F CB ? ? 1 +17178 C CG . LEU F 15 0.4590 0.8149 1.0416 -0.0978 0.0008 0.0161 26 LEU F CG ? ? 1 +17179 C CD1 . LEU F 15 0.4588 0.8141 1.0366 -0.0892 0.0009 0.0200 26 LEU F CD1 ? ? 1 +17180 C CD2 . LEU F 15 0.4440 0.8185 1.0392 -0.1001 -0.0021 0.0140 26 LEU F CD2 ? ? 1 +17181 C C . LEU F 15 0.4719 0.8063 1.0444 -0.1035 -0.0035 0.0054 26 LEU F C ? ? 1 +17182 O O . LEU F 15 0.4632 0.8062 1.0399 -0.1020 -0.0071 0.0026 26 LEU F O ? ? 1 +17183 N N . ALA F 16 0.4856 0.8014 1.0467 -0.1029 -0.0011 0.0061 27 ALA F N ? ? 1 +17184 C CA . ALA F 16 0.4909 0.7956 1.0432 -0.0992 -0.0026 0.0038 27 ALA F CA ? ? 1 +17185 C CB . ALA F 16 0.5094 0.7939 1.0486 -0.0971 0.0007 0.0061 27 ALA F CB ? ? 1 +17186 C C . ALA F 16 0.4904 0.7944 1.0451 -0.1055 -0.0048 -0.0014 27 ALA F C ? ? 1 +17187 O O . ALA F 16 0.4864 0.7912 1.0392 -0.1019 -0.0078 -0.0041 27 ALA F O ? ? 1 +17188 N N . VAL F 17 0.4917 0.7943 1.0504 -0.1149 -0.0032 -0.0031 28 VAL F N ? ? 1 +17189 C CA . VAL F 17 0.4943 0.7956 1.0553 -0.1215 -0.0053 -0.0083 28 VAL F CA ? ? 1 +17190 C CB . VAL F 17 0.5026 0.8008 1.0678 -0.1322 -0.0025 -0.0094 28 VAL F CB ? ? 1 +17191 C CG1 . VAL F 17 0.5027 0.8062 1.0748 -0.1396 -0.0056 -0.0152 28 VAL F CG1 ? ? 1 +17192 C CG2 . VAL F 17 0.5230 0.8001 1.0764 -0.1339 0.0019 -0.0077 28 VAL F CG2 ? ? 1 +17193 C C . VAL F 17 0.4760 0.7943 1.0461 -0.1204 -0.0101 -0.0112 28 VAL F C ? ? 1 +17194 O O . VAL F 17 0.4803 0.7958 1.0470 -0.1186 -0.0131 -0.0145 28 VAL F O ? ? 1 +17195 N N . PRO F 18 0.4549 0.7908 1.0365 -0.1213 -0.0110 -0.0101 29 PRO F N ? ? 1 +17196 C CA . PRO F 18 0.4377 0.7892 1.0272 -0.1197 -0.0155 -0.0126 29 PRO F CA ? ? 1 +17197 C CB . PRO F 18 0.4229 0.7904 1.0234 -0.1209 -0.0149 -0.0102 29 PRO F CB ? ? 1 +17198 C CG . PRO F 18 0.4312 0.7920 1.0315 -0.1266 -0.0105 -0.0082 29 PRO F CG ? ? 1 +17199 C CD . PRO F 18 0.4491 0.7902 1.0361 -0.1241 -0.0077 -0.0066 29 PRO F CD ? ? 1 +17200 C C . PRO F 18 0.4308 0.7826 1.0147 -0.1104 -0.0177 -0.0120 29 PRO F C ? ? 1 +17201 O O . PRO F 18 0.4275 0.7835 1.0123 -0.1094 -0.0213 -0.0154 29 PRO F O ? ? 1 +17202 N N . THR F 19 0.4289 0.7762 1.0071 -0.1037 -0.0154 -0.0078 30 THR F N ? ? 1 +17203 C CA . THR F 19 0.4223 0.7712 0.9964 -0.0948 -0.0170 -0.0070 30 THR F CA ? ? 1 +17204 C CB . THR F 19 0.4230 0.7669 0.9918 -0.0881 -0.0142 -0.0023 30 THR F CB ? ? 1 +17205 O OG1 . THR F 19 0.4103 0.7661 0.9870 -0.0888 -0.0132 0.0008 30 THR F OG1 ? ? 1 +17206 C CG2 . THR F 19 0.4197 0.7642 0.9839 -0.0789 -0.0156 -0.0018 30 THR F CG2 ? ? 1 +17207 C C . THR F 19 0.4325 0.7709 0.9987 -0.0935 -0.0188 -0.0108 30 THR F C ? ? 1 +17208 O O . THR F 19 0.4263 0.7716 0.9938 -0.0903 -0.0217 -0.0128 30 THR F O ? ? 1 +17209 N N . ILE F 20 0.4496 0.7712 1.0074 -0.0964 -0.0168 -0.0117 31 ILE F N ? ? 1 +17210 C CA . ILE F 20 0.4615 0.7713 1.0104 -0.0949 -0.0181 -0.0151 31 ILE F CA ? ? 1 +17211 C CB . ILE F 20 0.4809 0.7702 1.0191 -0.0968 -0.0151 -0.0149 31 ILE F CB ? ? 1 +17212 C CG1 . ILE F 20 0.4847 0.7665 1.0160 -0.0897 -0.0120 -0.0101 31 ILE F CG1 ? ? 1 +17213 C CG2 . ILE F 20 0.4943 0.7715 1.0240 -0.0966 -0.0166 -0.0190 31 ILE F CG2 ? ? 1 +17214 C CD1 . ILE F 20 0.4786 0.7639 1.0069 -0.0793 -0.0132 -0.0089 31 ILE F CD1 ? ? 1 +17215 C C . ILE F 20 0.4599 0.7760 1.0138 -0.1002 -0.0219 -0.0201 31 ILE F C ? ? 1 +17216 O O . ILE F 20 0.4609 0.7768 1.0113 -0.0965 -0.0245 -0.0227 31 ILE F O ? ? 1 +17217 N N . PHE F 21 0.4577 0.7796 1.0198 -0.1086 -0.0221 -0.0215 32 PHE F N ? ? 1 +17218 C CA . PHE F 21 0.4540 0.7840 1.0224 -0.1138 -0.0261 -0.0263 32 PHE F CA ? ? 1 +17219 C CB . PHE F 21 0.4516 0.7883 1.0298 -0.1229 -0.0254 -0.0270 32 PHE F CB ? ? 1 +17220 C CG . PHE F 21 0.4489 0.7948 1.0349 -0.1288 -0.0296 -0.0320 32 PHE F CG ? ? 1 +17221 C CD1 . PHE F 21 0.4336 0.7970 1.0288 -0.1274 -0.0329 -0.0324 32 PHE F CD1 ? ? 1 +17222 C CD2 . PHE F 21 0.4632 0.7999 1.0470 -0.1359 -0.0304 -0.0363 32 PHE F CD2 ? ? 1 +17223 C CE1 . PHE F 21 0.4323 0.8041 1.0344 -0.1325 -0.0371 -0.0371 32 PHE F CE1 ? ? 1 +17224 C CE2 . PHE F 21 0.4609 0.8065 1.0522 -0.1413 -0.0346 -0.0412 32 PHE F CE2 ? ? 1 +17225 C CZ . PHE F 21 0.4451 0.8083 1.0454 -0.1394 -0.0381 -0.0415 32 PHE F CZ ? ? 1 +17226 C C . PHE F 21 0.4383 0.7833 1.0116 -0.1085 -0.0295 -0.0266 32 PHE F C ? ? 1 +17227 O O . PHE F 21 0.4403 0.7857 1.0115 -0.1077 -0.0329 -0.0303 32 PHE F O ? ? 1 +17228 N N . PHE F 22 0.4235 0.7799 1.0026 -0.1049 -0.0285 -0.0226 33 PHE F N ? ? 1 +17229 C CA . PHE F 22 0.4085 0.7791 0.9925 -0.1000 -0.0313 -0.0225 33 PHE F CA ? ? 1 +17230 C CB . PHE F 22 0.3926 0.7753 0.9841 -0.0978 -0.0297 -0.0181 33 PHE F CB ? ? 1 +17231 C CG . PHE F 22 0.3819 0.7775 0.9849 -0.1040 -0.0308 -0.0187 33 PHE F CG ? ? 1 +17232 C CD1 . PHE F 22 0.3881 0.7799 0.9941 -0.1122 -0.0297 -0.0203 33 PHE F CD1 ? ? 1 +17233 C CD2 . PHE F 22 0.3654 0.7768 0.9763 -0.1018 -0.0327 -0.0178 33 PHE F CD2 ? ? 1 +17234 C CE1 . PHE F 22 0.3781 0.7826 0.9954 -0.1178 -0.0306 -0.0211 33 PHE F CE1 ? ? 1 +17235 C CE2 . PHE F 22 0.3565 0.7798 0.9781 -0.1072 -0.0337 -0.0185 33 PHE F CE2 ? ? 1 +17236 C CZ . PHE F 22 0.3627 0.7828 0.9876 -0.1151 -0.0327 -0.0202 33 PHE F CZ ? ? 1 +17237 C C . PHE F 22 0.4129 0.7783 0.9883 -0.0921 -0.0319 -0.0226 33 PHE F C ? ? 1 +17238 O O . PHE F 22 0.4074 0.7801 0.9841 -0.0897 -0.0350 -0.0247 33 PHE F O ? ? 1 +17239 N N . LEU F 23 0.4240 0.7771 0.9908 -0.0877 -0.0289 -0.0204 34 LEU F N ? ? 1 +17240 C CA . LEU F 23 0.4300 0.7775 0.9886 -0.0800 -0.0290 -0.0206 34 LEU F CA ? ? 1 +17241 C CB . LEU F 23 0.4408 0.7759 0.9916 -0.0753 -0.0254 -0.0174 34 LEU F CB ? ? 1 +17242 C CG . LEU F 23 0.4321 0.7749 0.9868 -0.0707 -0.0234 -0.0126 34 LEU F CG ? ? 1 +17243 C CD1 . LEU F 23 0.4435 0.7732 0.9896 -0.0658 -0.0204 -0.0099 34 LEU F CD1 ? ? 1 +17244 C CD2 . LEU F 23 0.4196 0.7756 0.9784 -0.0647 -0.0250 -0.0120 34 LEU F CD2 ? ? 1 +17245 C C . LEU F 23 0.4400 0.7794 0.9924 -0.0815 -0.0315 -0.0255 34 LEU F C ? ? 1 +17246 O O . LEU F 23 0.4386 0.7800 0.9879 -0.0765 -0.0331 -0.0269 34 LEU F O ? ? 1 +17247 N N . GLY F 24 0.4508 0.7810 1.0013 -0.0885 -0.0316 -0.0281 35 GLY F N ? ? 1 +17248 C CA . GLY F 24 0.4613 0.7840 1.0065 -0.0911 -0.0343 -0.0332 35 GLY F CA ? ? 1 +17249 C C . GLY F 24 0.4514 0.7875 1.0032 -0.0929 -0.0386 -0.0362 35 GLY F C ? ? 1 +17250 O O . GLY F 24 0.4560 0.7897 1.0025 -0.0905 -0.0411 -0.0393 35 GLY F O ? ? 1 +17251 N N . ALA F 25 0.4388 0.7888 1.0018 -0.0970 -0.0395 -0.0352 36 ALA F N ? ? 1 +17252 C CA . ALA F 25 0.4280 0.7917 0.9981 -0.0985 -0.0437 -0.0377 36 ALA F CA ? ? 1 +17253 C CB . ALA F 25 0.4166 0.7934 0.9990 -0.1037 -0.0439 -0.0364 36 ALA F CB ? ? 1 +17254 C C . ALA F 25 0.4180 0.7889 0.9866 -0.0905 -0.0446 -0.0363 36 ALA F C ? ? 1 +17255 O O . ALA F 25 0.4187 0.7922 0.9853 -0.0893 -0.0479 -0.0394 36 ALA F O ? ? 1 +17256 N N . ILE F 26 0.4111 0.7849 0.9802 -0.0851 -0.0415 -0.0317 37 ILE F N ? ? 1 +17257 C CA . ILE F 26 0.4019 0.7832 0.9705 -0.0778 -0.0418 -0.0302 37 ILE F CA ? ? 1 +17258 C CB . ILE F 26 0.3899 0.7780 0.9631 -0.0739 -0.0387 -0.0250 37 ILE F CB ? ? 1 +17259 C CG1 . ILE F 26 0.3782 0.7779 0.9625 -0.0791 -0.0390 -0.0234 37 ILE F CG1 ? ? 1 +17260 C CG2 . ILE F 26 0.3816 0.7770 0.9543 -0.0668 -0.0386 -0.0236 37 ILE F CG2 ? ? 1 +17261 C CD1 . ILE F 26 0.3687 0.7734 0.9570 -0.0765 -0.0360 -0.0186 37 ILE F CD1 ? ? 1 +17262 C C . ILE F 26 0.4127 0.7831 0.9702 -0.0726 -0.0416 -0.0320 37 ILE F C ? ? 1 +17263 O O . ILE F 26 0.4102 0.7851 0.9659 -0.0690 -0.0433 -0.0334 37 ILE F O ? ? 1 +17264 N N . ALA F 27 0.4274 0.7831 0.9771 -0.0722 -0.0393 -0.0322 38 ALA F N ? ? 1 +17265 C CA . ALA F 27 0.4407 0.7847 0.9795 -0.0678 -0.0391 -0.0345 38 ALA F CA ? ? 1 +17266 C CB . ALA F 27 0.4553 0.7827 0.9863 -0.0684 -0.0366 -0.0344 38 ALA F CB ? ? 1 +17267 C C . ALA F 27 0.4481 0.7917 0.9843 -0.0705 -0.0431 -0.0395 38 ALA F C ? ? 1 +17268 O O . ALA F 27 0.4499 0.7938 0.9811 -0.0656 -0.0440 -0.0408 38 ALA F O ? ? 1 +17269 N N . ALA F 28 0.4533 0.7967 0.9931 -0.0784 -0.0456 -0.0422 39 ALA F N ? ? 1 +17270 C CA . ALA F 28 0.4612 0.8042 0.9990 -0.0817 -0.0499 -0.0473 39 ALA F CA ? ? 1 +17271 C CB . ALA F 28 0.4654 0.8089 1.0092 -0.0909 -0.0520 -0.0498 39 ALA F CB ? ? 1 +17272 C C . ALA F 28 0.4524 0.8088 0.9940 -0.0788 -0.0527 -0.0476 39 ALA F C ? ? 1 +17273 O O . ALA F 28 0.4598 0.8137 0.9954 -0.0772 -0.0554 -0.0510 39 ALA F O ? ? 1 +17274 N N . MET F 29 0.4397 0.8097 0.9907 -0.0782 -0.0521 -0.0441 40 MET F N ? ? 1 +17275 C CA . MET F 29 0.4302 0.8134 0.9856 -0.0759 -0.0546 -0.0440 40 MET F CA ? ? 1 +17276 C CB . MET F 29 0.4150 0.8116 0.9814 -0.0763 -0.0532 -0.0399 40 MET F CB ? ? 1 +17277 C CG . MET F 29 0.4124 0.8148 0.9881 -0.0839 -0.0548 -0.0406 40 MET F CG ? ? 1 +17278 S SD . MET F 29 0.3977 0.8130 0.9844 -0.0835 -0.0521 -0.0352 40 MET F SD ? ? 1 +17279 C CE . MET F 29 0.3993 0.8152 0.9938 -0.0927 -0.0523 -0.0363 40 MET F CE ? ? 1 +17280 C C . MET F 29 0.4338 0.8154 0.9817 -0.0681 -0.0535 -0.0435 40 MET F C ? ? 1 +17281 O O . MET F 29 0.4299 0.8181 0.9776 -0.0664 -0.0561 -0.0448 40 MET F O ? ? 1 +17282 N N . GLN F 30 0.4417 0.8141 0.9831 -0.0634 -0.0497 -0.0417 41 GLN F N ? ? 1 +17283 C CA . GLN F 30 0.4447 0.8159 0.9796 -0.0559 -0.0481 -0.0412 41 GLN F CA ? ? 1 +17284 C CB . GLN F 30 0.4473 0.8107 0.9781 -0.0509 -0.0435 -0.0384 41 GLN F CB ? ? 1 +17285 C CG . GLN F 30 0.4362 0.8052 0.9748 -0.0512 -0.0410 -0.0339 41 GLN F CG ? ? 1 +17286 C CD . GLN F 30 0.4187 0.8038 0.9672 -0.0514 -0.0417 -0.0315 41 GLN F CD ? ? 1 +17287 O OE1 . GLN F 30 0.4145 0.8066 0.9631 -0.0474 -0.0419 -0.0311 41 GLN F OE1 ? ? 1 +17288 N NE2 . GLN F 30 0.4106 0.8016 0.9673 -0.0560 -0.0419 -0.0297 41 GLN F NE2 ? ? 1 +17289 C C . GLN F 30 0.4604 0.8238 0.9856 -0.0550 -0.0504 -0.0457 41 GLN F C ? ? 1 +17290 O O . GLN F 30 0.4591 0.8228 0.9792 -0.0494 -0.0495 -0.0457 41 GLN F O ? ? 1 +17291 N N . PHE F 31 0.4786 0.8348 1.0013 -0.0606 -0.0534 -0.0495 42 PHE F N ? ? 1 +17292 C CA . PHE F 31 0.4950 0.8433 1.0084 -0.0605 -0.0562 -0.0542 42 PHE F CA ? ? 1 +17293 C CB . PHE F 31 0.5144 0.8470 1.0208 -0.0636 -0.0559 -0.0570 42 PHE F CB ? ? 1 +17294 C CG . PHE F 31 0.5241 0.8474 1.0254 -0.0587 -0.0510 -0.0543 42 PHE F CG ? ? 1 +17295 C CD1 . PHE F 31 0.5330 0.8497 1.0249 -0.0516 -0.0488 -0.0546 42 PHE F CD1 ? ? 1 +17296 C CD2 . PHE F 31 0.5240 0.8457 1.0300 -0.0608 -0.0483 -0.0513 42 PHE F CD2 ? ? 1 +17297 C CE1 . PHE F 31 0.5365 0.8454 1.0242 -0.0467 -0.0445 -0.0522 42 PHE F CE1 ? ? 1 +17298 C CE2 . PHE F 31 0.5291 0.8423 1.0301 -0.0557 -0.0441 -0.0487 42 PHE F CE2 ? ? 1 +17299 C CZ . PHE F 31 0.5360 0.8432 1.0283 -0.0486 -0.0423 -0.0493 42 PHE F CZ ? ? 1 +17300 C C . PHE F 31 0.4914 0.8480 1.0084 -0.0645 -0.0615 -0.0572 42 PHE F C ? ? 1 +17301 O O . PHE F 31 0.4992 0.8496 1.0087 -0.0650 -0.0646 -0.0614 42 PHE F O ? ? 1 +17302 N N . ILE F 32 0.4814 0.8520 1.0096 -0.0669 -0.0627 -0.0551 43 ILE F N ? ? 1 +17303 C CA . ILE F 32 0.4840 0.8636 1.0163 -0.0700 -0.0678 -0.0576 43 ILE F CA ? ? 1 +17304 C CB . ILE F 32 0.4670 0.8597 1.0128 -0.0746 -0.0688 -0.0556 43 ILE F CB ? ? 1 +17305 C CG1 . ILE F 32 0.4698 0.8578 1.0201 -0.0813 -0.0682 -0.0563 43 ILE F CG1 ? ? 1 +17306 C CG2 . ILE F 32 0.4600 0.8629 1.0101 -0.0766 -0.0741 -0.0580 43 ILE F CG2 ? ? 1 +17307 C CD1 . ILE F 32 0.4572 0.8571 1.0204 -0.0850 -0.0675 -0.0533 43 ILE F CD1 ? ? 1 +17308 C C . ILE F 32 0.4910 0.8748 1.0184 -0.0640 -0.0684 -0.0574 43 ILE F C ? ? 1 +17309 O O . ILE F 32 0.4802 0.8687 1.0086 -0.0590 -0.0649 -0.0535 43 ILE F O ? ? 1 +17310 N N . GLN F 33 0.5120 0.8937 1.0337 -0.0647 -0.0729 -0.0616 44 GLN F N ? ? 1 +17311 C CA . GLN F 33 0.5248 0.9096 1.0408 -0.0598 -0.0741 -0.0619 44 GLN F CA ? ? 1 +17312 C CB . GLN F 33 0.5526 0.9249 1.0552 -0.0582 -0.0759 -0.0663 44 GLN F CB ? ? 1 +17313 C CG . GLN F 33 0.5727 0.9320 1.0664 -0.0546 -0.0714 -0.0661 44 GLN F CG ? ? 1 +17314 C CD . GLN F 33 0.5789 0.9398 1.0692 -0.0473 -0.0666 -0.0626 44 GLN F CD ? ? 1 +17315 O OE1 . GLN F 33 0.5785 0.9501 1.0730 -0.0449 -0.0662 -0.0601 44 GLN F OE1 ? ? 1 +17316 N NE2 . GLN F 33 0.5945 0.9447 1.0773 -0.0437 -0.0628 -0.0626 44 GLN F NE2 ? ? 1 +17317 C C . GLN F 33 0.5244 0.9214 1.0475 -0.0624 -0.0789 -0.0627 44 GLN F C ? ? 1 +17318 O O . GLN F 33 0.5442 0.9441 1.0737 -0.0684 -0.0825 -0.0649 44 GLN F O ? ? 1 +17319 N N . ARG F 34 0.5232 0.9271 1.0451 -0.0580 -0.0790 -0.0611 45 ARG F N ? ? 1 +17320 C CA . ARG F 34 0.5215 0.9352 1.0477 -0.0596 -0.0841 -0.0623 45 ARG F CA ? ? 1 +17321 C CB . ARG F 34 0.4995 0.9233 1.0289 -0.0552 -0.0821 -0.0582 45 ARG F CB ? ? 1 +17322 C CG . ARG F 34 0.4979 0.9167 1.0163 -0.0488 -0.0795 -0.0575 45 ARG F CG ? ? 1 +17323 C CD . ARG F 34 0.4791 0.9077 1.0019 -0.0452 -0.0769 -0.0532 45 ARG F CD ? ? 1 +17324 N NE . ARG F 34 0.4767 0.9013 0.9891 -0.0395 -0.0748 -0.0528 45 ARG F NE ? ? 1 +17325 C CZ . ARG F 34 0.4833 0.9054 0.9871 -0.0380 -0.0783 -0.0554 45 ARG F CZ ? ? 1 +17326 N NH1 . ARG F 34 0.4830 0.9084 0.9886 -0.0412 -0.0846 -0.0582 45 ARG F NH1 ? ? 1 +17327 N NH2 . ARG F 34 0.4930 0.9095 0.9864 -0.0329 -0.0754 -0.0550 45 ARG F NH2 ? ? 1 +17328 C C . ARG F 34 0.5500 0.9563 1.0655 -0.0592 -0.0888 -0.0674 45 ARG F C ? ? 1 +17329 O O . ARG F 34 0.5969 1.0085 1.1143 -0.0614 -0.0945 -0.0700 45 ARG F O ? ? 1 +17330 O OXT . ARG F 34 0.5615 0.9560 1.0660 -0.0566 -0.0871 -0.0689 45 ARG F OXT ? ? 1 +17331 N N . ALA G 1 0.6401 1.0417 1.0599 -0.0471 0.1279 0.1086 2 ALA H N ? ? 1 +17332 C CA . ALA G 1 0.6143 1.0356 1.0561 -0.0497 0.1258 0.1049 2 ALA H CA ? ? 1 +17333 C CB . ALA G 1 0.6048 1.0312 1.0600 -0.0562 0.1290 0.1043 2 ALA H CB ? ? 1 +17334 C C . ALA G 1 0.6184 1.0472 1.0642 -0.0506 0.1315 0.1034 2 ALA H C ? ? 1 +17335 O O . ALA G 1 0.6423 1.0608 1.0747 -0.0503 0.1381 0.1053 2 ALA H O ? ? 1 +17336 N N . ARG G 2 0.6004 1.0468 1.0645 -0.0517 0.1291 0.1000 3 ARG H N ? ? 1 +17337 C CA . ARG G 2 0.6006 1.0555 1.0698 -0.0518 0.1335 0.0982 3 ARG H CA ? ? 1 +17338 C CB . ARG G 2 0.6128 1.0798 1.0906 -0.0477 0.1251 0.0953 3 ARG H CB ? ? 1 +17339 C CG . ARG G 2 0.6543 1.1275 1.1337 -0.0464 0.1286 0.0937 3 ARG H CG ? ? 1 +17340 C CD . ARG G 2 0.6741 1.1585 1.1615 -0.0424 0.1203 0.0909 3 ARG H CD ? ? 1 +17341 N NE . ARG G 2 0.7125 1.1918 1.1929 -0.0380 0.1107 0.0914 3 ARG H NE ? ? 1 +17342 C CZ . ARG G 2 0.7482 1.2200 1.2149 -0.0326 0.1062 0.0919 3 ARG H CZ ? ? 1 +17343 N NH1 . ARG G 2 0.7796 1.2472 1.2369 -0.0305 0.1102 0.0921 3 ARG H NH1 ? ? 1 +17344 N NH2 . ARG G 2 0.7558 1.2244 1.2183 -0.0291 0.0975 0.0922 3 ARG H NH2 ? ? 1 +17345 C C . ARG G 2 0.5684 1.0331 1.0528 -0.0587 0.1416 0.0968 3 ARG H C ? ? 1 +17346 O O . ARG G 2 0.5417 1.0170 1.0421 -0.0621 0.1395 0.0950 3 ARG H O ? ? 1 +17347 N N . ARG G 3 0.5694 1.0303 1.0486 -0.0607 0.1511 0.0976 4 ARG H N ? ? 1 +17348 C CA . ARG G 3 0.5596 1.0307 1.0536 -0.0670 0.1593 0.0960 4 ARG H CA ? ? 1 +17349 C CB . ARG G 3 0.5814 1.0413 1.0644 -0.0704 0.1708 0.0983 4 ARG H CB ? ? 1 +17350 C CG . ARG G 3 0.6003 1.0459 1.0739 -0.0736 0.1734 0.1013 4 ARG H CG ? ? 1 +17351 C CD . ARG G 3 0.6297 1.0622 1.0902 -0.0768 0.1847 0.1040 4 ARG H CD ? ? 1 +17352 N NE . ARG G 3 0.6381 1.0818 1.1129 -0.0827 0.1939 0.1020 4 ARG H NE ? ? 1 +17353 C CZ . ARG G 3 0.6599 1.0987 1.1277 -0.0844 0.2041 0.1029 4 ARG H CZ ? ? 1 +17354 N NH1 . ARG G 3 0.6873 1.1099 1.1332 -0.0804 0.2063 0.1059 4 ARG H NH1 ? ? 1 +17355 N NH2 . ARG G 3 0.6506 1.1007 1.1333 -0.0903 0.2123 0.1008 4 ARG H NH2 ? ? 1 +17356 C C . ARG G 3 0.5348 1.0226 1.0429 -0.0656 0.1580 0.0925 4 ARG H C ? ? 1 +17357 O O . ARG G 3 0.5333 1.0202 1.0342 -0.0603 0.1548 0.0921 4 ARG H O ? ? 1 +17358 N N . THR G 4 0.5162 1.0190 1.0442 -0.0702 0.1597 0.0898 5 THR H N ? ? 1 +17359 C CA . THR G 4 0.4966 1.0156 1.0394 -0.0696 0.1597 0.0864 5 THR H CA ? ? 1 +17360 C CB . THR G 4 0.4765 1.0082 1.0329 -0.0676 0.1497 0.0837 5 THR H CB ? ? 1 +17361 O OG1 . THR G 4 0.4644 1.0042 1.0358 -0.0728 0.1498 0.0824 5 THR H OG1 ? ? 1 +17362 C CG2 . THR G 4 0.4784 1.0017 1.0234 -0.0623 0.1401 0.0851 5 THR H CG2 ? ? 1 +17363 C C . THR G 4 0.4928 1.0202 1.0486 -0.0761 0.1691 0.0850 5 THR H C ? ? 1 +17364 O O . THR G 4 0.4986 1.0209 1.0546 -0.0814 0.1737 0.0863 5 THR H O ? ? 1 +17365 N N . TRP G 5 0.4880 1.0282 1.0546 -0.0757 0.1718 0.0823 6 TRP H N ? ? 1 +17366 C CA . TRP G 5 0.4840 1.0347 1.0652 -0.0814 0.1803 0.0803 6 TRP H CA ? ? 1 +17367 C CB . TRP G 5 0.4885 1.0525 1.0791 -0.0787 0.1817 0.0774 6 TRP H CB ? ? 1 +17368 C CG . TRP G 5 0.5051 1.0847 1.1155 -0.0836 0.1876 0.0743 6 TRP H CG ? ? 1 +17369 C CD1 . TRP G 5 0.5250 1.1048 1.1379 -0.0888 0.1986 0.0744 6 TRP H CD1 ? ? 1 +17370 N NE1 . TRP G 5 0.5218 1.1195 1.1562 -0.0922 0.2006 0.0707 6 TRP H NE1 ? ? 1 +17371 C CE2 . TRP G 5 0.5098 1.1184 1.1551 -0.0891 0.1906 0.0684 6 TRP H CE2 ? ? 1 +17372 C CZ2 . TRP G 5 0.5016 1.1289 1.1683 -0.0903 0.1880 0.0644 6 TRP H CZ2 ? ? 1 +17373 C CH2 . TRP G 5 0.4913 1.1249 1.1633 -0.0862 0.1774 0.0630 6 TRP H CH2 ? ? 1 +17374 C CZ3 . TRP G 5 0.4827 1.1055 1.1406 -0.0813 0.1697 0.0652 6 TRP H CZ3 ? ? 1 +17375 C CE3 . TRP G 5 0.4894 1.0947 1.1271 -0.0801 0.1720 0.0689 6 TRP H CE3 ? ? 1 +17376 C CD2 . TRP G 5 0.4987 1.0963 1.1294 -0.0838 0.1825 0.0706 6 TRP H CD2 ? ? 1 +17377 C C . TRP G 5 0.4585 1.0183 1.0558 -0.0863 0.1775 0.0787 6 TRP H C ? ? 1 +17378 O O . TRP G 5 0.4676 1.0256 1.0683 -0.0925 0.1840 0.0792 6 TRP H O ? ? 1 +17379 N N . LEU G 6 0.4318 1.0003 1.0381 -0.0836 0.1677 0.0769 7 LEU H N ? ? 1 +17380 C CA . LEU G 6 0.4159 0.9937 1.0377 -0.0877 0.1642 0.0750 7 LEU H CA ? ? 1 +17381 C CB . LEU G 6 0.3960 0.9846 1.0270 -0.0834 0.1538 0.0727 7 LEU H CB ? ? 1 +17382 C CG . LEU G 6 0.3824 0.9820 1.0300 -0.0868 0.1494 0.0703 7 LEU H CG ? ? 1 +17383 C CD1 . LEU G 6 0.3779 0.9922 1.0431 -0.0908 0.1545 0.0672 7 LEU H CD1 ? ? 1 +17384 C CD2 . LEU G 6 0.3665 0.9719 1.0181 -0.0821 0.1389 0.0690 7 LEU H CD2 ? ? 1 +17385 C C . LEU G 6 0.4240 0.9891 1.0375 -0.0908 0.1638 0.0776 7 LEU H C ? ? 1 +17386 O O . LEU G 6 0.4239 0.9922 1.0467 -0.0968 0.1669 0.0768 7 LEU H O ? ? 1 +17387 N N . GLY G 7 0.4299 0.9802 1.0254 -0.0867 0.1601 0.0807 8 GLY H N ? ? 1 +17388 C CA . GLY G 7 0.4364 0.9723 1.0211 -0.0889 0.1603 0.0835 8 GLY H CA ? ? 1 +17389 C C . GLY G 7 0.4468 0.9751 1.0278 -0.0951 0.1712 0.0851 8 GLY H C ? ? 1 +17390 O O . GLY G 7 0.4462 0.9706 1.0293 -0.0998 0.1724 0.0857 8 GLY H O ? ? 1 +17391 N N . ASP G 8 0.4570 0.9827 1.0320 -0.0951 0.1792 0.0857 9 ASP H N ? ? 1 +17392 C CA . ASP G 8 0.4715 0.9902 1.0429 -0.1011 0.1905 0.0871 9 ASP H CA ? ? 1 +17393 C CB . ASP G 8 0.4858 1.0003 1.0473 -0.0990 0.1979 0.0881 9 ASP H CB ? ? 1 +17394 C CG . ASP G 8 0.5044 1.0008 1.0419 -0.0932 0.1960 0.0917 9 ASP H CG ? ? 1 +17395 O OD1 . ASP G 8 0.5141 0.9980 1.0405 -0.0923 0.1921 0.0942 9 ASP H OD1 ? ? 1 +17396 O OD2 . ASP G 8 0.5132 1.0081 1.0431 -0.0893 0.1983 0.0919 9 ASP H OD2 ? ? 1 +17397 C C . ASP G 8 0.4586 0.9915 1.0508 -0.1083 0.1949 0.0841 9 ASP H C ? ? 1 +17398 O O . ASP G 8 0.4645 0.9911 1.0561 -0.1145 0.2008 0.0851 9 ASP H O ? ? 1 +17399 N N . ILE G 9 0.4396 0.9911 1.0497 -0.1075 0.1917 0.0803 10 ILE H N ? ? 1 +17400 C CA . ILE G 9 0.4303 0.9972 1.0617 -0.1136 0.1940 0.0768 10 ILE H CA ? ? 1 +17401 C CB . ILE G 9 0.4213 1.0076 1.0692 -0.1105 0.1903 0.0729 10 ILE H CB ? ? 1 +17402 C CG1 . ILE G 9 0.4331 1.0221 1.0788 -0.1089 0.1979 0.0726 10 ILE H CG1 ? ? 1 +17403 C CG2 . ILE G 9 0.4106 1.0137 1.0810 -0.1157 0.1895 0.0690 10 ILE H CG2 ? ? 1 +17404 C CD1 . ILE G 9 0.4198 1.0264 1.0795 -0.1045 0.1935 0.0689 10 ILE H CD1 ? ? 1 +17405 C C . ILE G 9 0.4158 0.9817 1.0524 -0.1169 0.1887 0.0766 10 ILE H C ? ? 1 +17406 O O . ILE G 9 0.4159 0.9835 1.0605 -0.1239 0.1938 0.0758 10 ILE H O ? ? 1 +17407 N N . LEU G 10 0.3993 0.9628 1.0317 -0.1119 0.1784 0.0772 11 LEU H N ? ? 1 +17408 C CA . LEU G 10 0.3883 0.9518 1.0261 -0.1143 0.1726 0.0767 11 LEU H CA ? ? 1 +17409 C CB . LEU G 10 0.3739 0.9428 1.0139 -0.1081 0.1610 0.0757 11 LEU H CB ? ? 1 +17410 C CG . LEU G 10 0.3576 0.9459 1.0150 -0.1064 0.1577 0.0717 11 LEU H CG ? ? 1 +17411 C CD1 . LEU G 10 0.3442 0.9355 1.0009 -0.1000 0.1471 0.0713 11 LEU H CD1 ? ? 1 +17412 C CD2 . LEU G 10 0.3486 0.9504 1.0257 -0.1126 0.1590 0.0684 11 LEU H CD2 ? ? 1 +17413 C C . LEU G 10 0.3996 0.9443 1.0221 -0.1165 0.1747 0.0802 11 LEU H C ? ? 1 +17414 O O . LEU G 10 0.3962 0.9398 1.0230 -0.1196 0.1716 0.0798 11 LEU H O ? ? 1 +17415 N N . ARG G 11 0.4138 0.9435 1.0181 -0.1150 0.1802 0.0836 12 ARG H N ? ? 1 +17416 C CA . ARG G 11 0.4286 0.9386 1.0155 -0.1159 0.1819 0.0874 12 ARG H CA ? ? 1 +17417 C CB . ARG G 11 0.4514 0.9477 1.0204 -0.1146 0.1900 0.0906 12 ARG H CB ? ? 1 +17418 C CG . ARG G 11 0.4764 0.9508 1.0260 -0.1162 0.1942 0.0948 12 ARG H CG ? ? 1 +17419 C CD . ARG G 11 0.4840 0.9456 1.0173 -0.1094 0.1859 0.0975 12 ARG H CD ? ? 1 +17420 N NE . ARG G 11 0.4748 0.9421 1.0170 -0.1085 0.1765 0.0960 12 ARG H NE ? ? 1 +17421 C CZ . ARG G 11 0.4753 0.9348 1.0074 -0.1028 0.1679 0.0975 12 ARG H CZ ? ? 1 +17422 N NH1 . ARG G 11 0.4872 0.9339 1.0005 -0.0968 0.1665 0.1004 12 ARG H NH1 ? ? 1 +17423 N NH2 . ARG G 11 0.4629 0.9275 1.0038 -0.1030 0.1607 0.0961 12 ARG H NH2 ? ? 1 +17424 C C . ARG G 11 0.4281 0.9355 1.0210 -0.1235 0.1856 0.0871 12 ARG H C ? ? 1 +17425 O O . ARG G 11 0.4287 0.9266 1.0151 -0.1232 0.1810 0.0886 12 ARG H O ? ? 1 +17426 N N . PRO G 12 0.4266 0.9418 1.0317 -0.1307 0.1941 0.0851 13 PRO H N ? ? 1 +17427 C CA . PRO G 12 0.4286 0.9412 1.0396 -0.1385 0.1978 0.0846 13 PRO H CA ? ? 1 +17428 C CB . PRO G 12 0.4280 0.9530 1.0540 -0.1451 0.2071 0.0819 13 PRO H CB ? ? 1 +17429 C CG . PRO G 12 0.4320 0.9580 1.0518 -0.1408 0.2110 0.0827 13 PRO H CG ? ? 1 +17430 C CD . PRO G 12 0.4236 0.9503 1.0375 -0.1319 0.2007 0.0832 13 PRO H CD ? ? 1 +17431 C C . PRO G 12 0.4122 0.9323 1.0346 -0.1389 0.1887 0.0823 13 PRO H C ? ? 1 +17432 O O . PRO G 12 0.4158 0.9268 1.0351 -0.1427 0.1887 0.0832 13 PRO H O ? ? 1 +17433 N N . LEU G 13 0.3938 0.9297 1.0288 -0.1349 0.1810 0.0794 14 LEU H N ? ? 1 +17434 C CA . LEU G 13 0.3806 0.9251 1.0272 -0.1351 0.1725 0.0770 14 LEU H CA ? ? 1 +17435 C CB . LEU G 13 0.3618 0.9259 1.0243 -0.1318 0.1668 0.0734 14 LEU H CB ? ? 1 +17436 C CG . LEU G 13 0.3581 0.9375 1.0361 -0.1356 0.1735 0.0703 14 LEU H CG ? ? 1 +17437 C CD1 . LEU G 13 0.3392 0.9370 1.0323 -0.1318 0.1664 0.0667 14 LEU H CD1 ? ? 1 +17438 C CD2 . LEU G 13 0.3617 0.9438 1.0501 -0.1446 0.1800 0.0685 14 LEU H CD2 ? ? 1 +17439 C C . LEU G 13 0.3838 0.9160 1.0173 -0.1302 0.1644 0.0795 14 LEU H C ? ? 1 +17440 O O . LEU G 13 0.3758 0.9126 1.0169 -0.1304 0.1577 0.0778 14 LEU H O ? ? 1 +17441 N N . ASN G 14 0.3965 0.9135 1.0106 -0.1255 0.1650 0.0833 15 ASN H N ? ? 1 +17442 C CA . ASN G 14 0.3995 0.9037 1.0003 -0.1209 0.1581 0.0857 15 ASN H CA ? ? 1 +17443 C CB . ASN G 14 0.3874 0.8956 0.9850 -0.1126 0.1494 0.0857 15 ASN H CB ? ? 1 +17444 C CG . ASN G 14 0.3889 0.8874 0.9768 -0.1082 0.1413 0.0875 15 ASN H CG ? ? 1 +17445 O OD1 . ASN G 14 0.3859 0.8840 0.9788 -0.1108 0.1385 0.0867 15 ASN H OD1 ? ? 1 +17446 N ND2 . ASN G 14 0.3926 0.8829 0.9663 -0.1013 0.1374 0.0897 15 ASN H ND2 ? ? 1 +17447 C C . ASN G 14 0.4224 0.9055 1.0028 -0.1214 0.1641 0.0900 15 ASN H C ? ? 1 +17448 O O . ASN G 14 0.4326 0.9044 0.9968 -0.1152 0.1609 0.0928 15 ASN H O ? ? 1 +17449 N N . SER G 15 0.4303 0.9079 1.0115 -0.1288 0.1726 0.0904 16 SER H N ? ? 1 +17450 C CA . SER G 15 0.4521 0.9093 1.0141 -0.1301 0.1794 0.0944 16 SER H CA ? ? 1 +17451 C CB . SER G 15 0.4624 0.9204 1.0245 -0.1342 0.1904 0.0946 16 SER H CB ? ? 1 +17452 O OG . SER G 15 0.4603 0.9289 1.0396 -0.1426 0.1958 0.0916 16 SER H OG ? ? 1 +17453 C C . SER G 15 0.4617 0.9072 1.0201 -0.1353 0.1813 0.0954 16 SER H C ? ? 1 +17454 O O . SER G 15 0.4799 0.9070 1.0216 -0.1364 0.1868 0.0989 16 SER H O ? ? 1 +17455 N N . GLU G 16 0.4499 0.9052 1.0232 -0.1384 0.1767 0.0924 17 GLU H N ? ? 1 +17456 C CA . GLU G 16 0.4592 0.9042 1.0303 -0.1437 0.1786 0.0929 17 GLU H CA ? ? 1 +17457 C CB . GLU G 16 0.4543 0.9127 1.0453 -0.1526 0.1829 0.0890 17 GLU H CB ? ? 1 +17458 C CG . GLU G 16 0.4625 0.9254 1.0579 -0.1576 0.1934 0.0885 17 GLU H CG ? ? 1 +17459 C CD . GLU G 16 0.4629 0.9349 1.0751 -0.1672 0.1989 0.0852 17 GLU H CD ? ? 1 +17460 O OE1 . GLU G 16 0.4473 0.9384 1.0791 -0.1684 0.1945 0.0809 17 GLU H OE1 ? ? 1 +17461 O OE2 . GLU G 16 0.4834 0.9429 1.0889 -0.1736 0.2073 0.0867 17 GLU H OE2 ? ? 1 +17462 C C . GLU G 16 0.4527 0.8934 1.0203 -0.1392 0.1686 0.0932 17 GLU H C ? ? 1 +17463 O O . GLU G 16 0.4478 0.8884 1.0219 -0.1434 0.1672 0.0917 17 GLU H O ? ? 1 +17464 N N . TYR G 17 0.4519 0.8889 1.0091 -0.1307 0.1619 0.0950 18 TYR H N ? ? 1 +17465 C CA . TYR G 17 0.4492 0.8812 1.0016 -0.1258 0.1528 0.0956 18 TYR H CA ? ? 1 +17466 C CB . TYR G 17 0.4534 0.8784 0.9912 -0.1167 0.1474 0.0982 18 TYR H CB ? ? 1 +17467 C CG . TYR G 17 0.4506 0.8708 0.9837 -0.1114 0.1382 0.0986 18 TYR H CG ? ? 1 +17468 C CD1 . TYR G 17 0.4335 0.8686 0.9811 -0.1097 0.1302 0.0955 18 TYR H CD1 ? ? 1 +17469 C CD2 . TYR G 17 0.4673 0.8681 0.9818 -0.1082 0.1376 0.1022 18 TYR H CD2 ? ? 1 +17470 C CE1 . TYR G 17 0.4319 0.8631 0.9757 -0.1050 0.1221 0.0958 18 TYR H CE1 ? ? 1 +17471 C CE2 . TYR G 17 0.4660 0.8630 0.9768 -0.1032 0.1293 0.1024 18 TYR H CE2 ? ? 1 +17472 C CZ . TYR G 17 0.4485 0.8610 0.9743 -0.1017 0.1216 0.0992 18 TYR H CZ ? ? 1 +17473 O OH . TYR G 17 0.4472 0.8574 0.9707 -0.0969 0.1135 0.0991 18 TYR H OH ? ? 1 +17474 C C . TYR G 17 0.4648 0.8798 1.0075 -0.1294 0.1556 0.0975 18 TYR H C ? ? 1 +17475 O O . TYR G 17 0.4824 0.8810 1.0099 -0.1307 0.1624 0.1008 18 TYR H O ? ? 1 +17476 N N . GLY G 18 0.4584 0.8769 1.0095 -0.1309 0.1504 0.0955 19 GLY H N ? ? 1 +17477 C CA . GLY G 18 0.4736 0.8756 1.0146 -0.1328 0.1511 0.0972 19 GLY H CA ? ? 1 +17478 C C . GLY G 18 0.4885 0.8855 1.0329 -0.1426 0.1601 0.0967 19 GLY H C ? ? 1 +17479 O O . GLY G 18 0.5060 0.8889 1.0424 -0.1449 0.1611 0.0979 19 GLY H O ? ? 1 +17480 N N . LYS G 19 0.4863 0.8950 1.0428 -0.1483 0.1666 0.0946 20 LYS H N ? ? 1 +17481 C CA . LYS G 19 0.4981 0.9027 1.0582 -0.1580 0.1760 0.0940 20 LYS H CA ? ? 1 +17482 C CB . LYS G 19 0.5026 0.9166 1.0699 -0.1620 0.1843 0.0931 20 LYS H CB ? ? 1 +17483 C CG . LYS G 19 0.5249 0.9324 1.0936 -0.1720 0.1952 0.0930 20 LYS H CG ? ? 1 +17484 C CD . LYS G 19 0.5343 0.9483 1.1076 -0.1761 0.2049 0.0926 20 LYS H CD ? ? 1 +17485 C CE . LYS G 19 0.5572 0.9615 1.1291 -0.1859 0.2157 0.0930 20 LYS H CE ? ? 1 +17486 N NZ . LYS G 19 0.5669 0.9786 1.1450 -0.1906 0.2256 0.0923 20 LYS H NZ ? ? 1 +17487 C C . LYS G 19 0.4819 0.8960 1.0582 -0.1633 0.1728 0.0901 20 LYS H C ? ? 1 +17488 O O . LYS G 19 0.4600 0.8926 1.0527 -0.1623 0.1669 0.0865 20 LYS H O ? ? 1 +17489 N N . VAL G 20 0.4927 0.8930 1.0632 -0.1687 0.1764 0.0908 21 VAL H N ? ? 1 +17490 C CA . VAL G 20 0.4839 0.8900 1.0672 -0.1737 0.1733 0.0873 21 VAL H CA ? ? 1 +17491 C CB . VAL G 20 0.4867 0.8793 1.0585 -0.1691 0.1663 0.0889 21 VAL H CB ? ? 1 +17492 C CG1 . VAL G 20 0.4718 0.8711 1.0425 -0.1592 0.1563 0.0891 21 VAL H CG1 ? ? 1 +17493 C CG2 . VAL G 20 0.5107 0.8778 1.0602 -0.1691 0.1717 0.0935 21 VAL H CG2 ? ? 1 +17494 C C . VAL G 20 0.4946 0.8973 1.0830 -0.1846 0.1827 0.0860 21 VAL H C ? ? 1 +17495 O O . VAL G 20 0.5115 0.9020 1.0893 -0.1878 0.1917 0.0887 21 VAL H O ? ? 1 +17496 N N . ALA G 21 0.4854 0.8991 1.0904 -0.1903 0.1806 0.0817 22 ALA H N ? ? 1 +17497 C CA . ALA G 21 0.4967 0.9061 1.1067 -0.2008 0.1880 0.0800 22 ALA H CA ? ? 1 +17498 C CB . ALA G 21 0.4804 0.9115 1.1146 -0.2062 0.1855 0.0742 22 ALA H CB ? ? 1 +17499 C C . ALA G 21 0.5102 0.8991 1.1061 -0.2013 0.1867 0.0820 22 ALA H C ? ? 1 +17500 O O . ALA G 21 0.5040 0.8908 1.0961 -0.1951 0.1780 0.0822 22 ALA H O ? ? 1 +17501 N N . PRO G 22 0.5308 0.9038 1.1185 -0.2087 0.1955 0.0834 23 PRO H N ? ? 1 +17502 C CA . PRO G 22 0.5451 0.8973 1.1184 -0.2090 0.1946 0.0854 23 PRO H CA ? ? 1 +17503 C CB . PRO G 22 0.5675 0.9057 1.1345 -0.2185 0.2066 0.0866 23 PRO H CB ? ? 1 +17504 C CG . PRO G 22 0.5665 0.9140 1.1384 -0.2204 0.2138 0.0870 23 PRO H CG ? ? 1 +17505 C CD . PRO G 22 0.5408 0.9144 1.1323 -0.2171 0.2070 0.0832 23 PRO H CD ? ? 1 +17506 C C . PRO G 22 0.5332 0.8920 1.1176 -0.2106 0.1871 0.0815 23 PRO H C ? ? 1 +17507 O O . PRO G 22 0.5217 0.8973 1.1257 -0.2167 0.1869 0.0767 23 PRO H O ? ? 1 +17508 N N . GLY G 23 0.5361 0.8812 1.1075 -0.2048 0.1810 0.0834 24 GLY H N ? ? 1 +17509 C CA . GLY G 23 0.5286 0.8750 1.1066 -0.2064 0.1750 0.0803 24 GLY H CA ? ? 1 +17510 C C . GLY G 23 0.5015 0.8722 1.1000 -0.2048 0.1667 0.0755 24 GLY H C ? ? 1 +17511 O O . GLY G 23 0.4861 0.8674 1.0868 -0.1970 0.1608 0.0759 24 GLY H O ? ? 1 +17512 N N . TRP G 24 0.4966 0.8752 1.1094 -0.2123 0.1664 0.0710 25 TRP H N ? ? 1 +17513 C CA . TRP G 24 0.4739 0.8742 1.1059 -0.2117 0.1587 0.0662 25 TRP H CA ? ? 1 +17514 C CB . TRP G 24 0.4783 0.8768 1.1171 -0.2185 0.1573 0.0624 25 TRP H CB ? ? 1 +17515 C CG . TRP G 24 0.4885 0.8694 1.1125 -0.2142 0.1528 0.0643 25 TRP H CG ? ? 1 +17516 C CD1 . TRP G 24 0.5104 0.8691 1.1197 -0.2175 0.1575 0.0666 25 TRP H CD1 ? ? 1 +17517 N NE1 . TRP G 24 0.5122 0.8603 1.1115 -0.2115 0.1508 0.0675 25 TRP H NE1 ? ? 1 +17518 C CE2 . TRP G 24 0.4912 0.8552 1.0993 -0.2046 0.1417 0.0657 25 TRP H CE2 ? ? 1 +17519 C CZ2 . TRP G 24 0.4856 0.8475 1.0892 -0.1971 0.1331 0.0657 25 TRP H CZ2 ? ? 1 +17520 C CH2 . TRP G 24 0.4647 0.8450 1.0792 -0.1913 0.1254 0.0638 25 TRP H CH2 ? ? 1 +17521 C CZ3 . TRP G 24 0.4511 0.8512 1.0804 -0.1927 0.1260 0.0619 25 TRP H CZ3 ? ? 1 +17522 C CE3 . TRP G 24 0.4566 0.8594 1.0908 -0.1999 0.1345 0.0617 25 TRP H CE3 ? ? 1 +17523 C CD2 . TRP G 24 0.4766 0.8611 1.1000 -0.2061 0.1427 0.0637 25 TRP H CD2 ? ? 1 +17524 C C . TRP G 24 0.4578 0.8802 1.1083 -0.2150 0.1609 0.0631 25 TRP H C ? ? 1 +17525 O O . TRP G 24 0.4392 0.8802 1.1044 -0.2128 0.1542 0.0596 25 TRP H O ? ? 1 +17526 N N . GLY G 25 0.4657 0.8859 1.1152 -0.2200 0.1705 0.0644 26 GLY H N ? ? 1 +17527 C CA . GLY G 25 0.4529 0.8933 1.1193 -0.2230 0.1734 0.0617 26 GLY H CA ? ? 1 +17528 C C . GLY G 25 0.4362 0.8970 1.1248 -0.2271 0.1684 0.0556 26 GLY H C ? ? 1 +17529 O O . GLY G 25 0.4406 0.8987 1.1342 -0.2341 0.1691 0.0528 26 GLY H O ? ? 1 +17530 N N . THR G 26 0.4176 0.8979 1.1183 -0.2223 0.1630 0.0536 27 THR H N ? ? 1 +17531 C CA . THR G 26 0.4019 0.9032 1.1238 -0.2251 0.1581 0.0479 27 THR H CA ? ? 1 +17532 C CB . THR G 26 0.3870 0.9074 1.1206 -0.2221 0.1582 0.0468 27 THR H CB ? ? 1 +17533 O OG1 . THR G 26 0.3816 0.8973 1.1026 -0.2123 0.1550 0.0509 27 THR H OG1 ? ? 1 +17534 C CG2 . THR G 26 0.3941 0.9184 1.1342 -0.2295 0.1688 0.0462 27 THR H CG2 ? ? 1 +17535 C C . THR G 26 0.3921 0.8963 1.1158 -0.2202 0.1473 0.0461 27 THR H C ? ? 1 +17536 O O . THR G 26 0.3762 0.8986 1.1154 -0.2193 0.1414 0.0421 27 THR H O ? ? 1 +17537 N N . THR G 27 0.4033 0.8893 1.1106 -0.2167 0.1448 0.0491 28 THR H N ? ? 1 +17538 C CA . THR G 27 0.3949 0.8819 1.1018 -0.2113 0.1349 0.0478 28 THR H CA ? ? 1 +17539 C CB . THR G 27 0.4059 0.8706 1.0922 -0.2068 0.1337 0.0521 28 THR H CB ? ? 1 +17540 O OG1 . THR G 27 0.4062 0.8642 1.0795 -0.1998 0.1352 0.0568 28 THR H OG1 ? ? 1 +17541 C CG2 . THR G 27 0.3971 0.8627 1.0832 -0.2016 0.1241 0.0506 28 THR H CG2 ? ? 1 +17542 C C . THR G 27 0.3926 0.8891 1.1144 -0.2178 0.1319 0.0423 28 THR H C ? ? 1 +17543 O O . THR G 27 0.3781 0.8871 1.1090 -0.2141 0.1237 0.0395 28 THR H O ? ? 1 +17544 N N . PRO G 28 0.4090 0.8999 1.1339 -0.2275 0.1381 0.0405 29 PRO H N ? ? 1 +17545 C CA . PRO G 28 0.4073 0.9077 1.1469 -0.2339 0.1350 0.0349 29 PRO H CA ? ? 1 +17546 C CB . PRO G 28 0.4244 0.9142 1.1629 -0.2445 0.1442 0.0343 29 PRO H CB ? ? 1 +17547 C CG . PRO G 28 0.4396 0.9078 1.1571 -0.2419 0.1501 0.0404 29 PRO H CG ? ? 1 +17548 C CD . PRO G 28 0.4289 0.9036 1.1431 -0.2331 0.1483 0.0435 29 PRO H CD ? ? 1 +17549 C C . PRO G 28 0.3924 0.9182 1.1525 -0.2340 0.1316 0.0305 29 PRO H C ? ? 1 +17550 O O . PRO G 28 0.3816 0.9182 1.1511 -0.2324 0.1237 0.0268 29 PRO H O ? ? 1 +17551 N N . LEU G 29 0.3943 0.9290 1.1606 -0.2355 0.1375 0.0310 30 LEU H N ? ? 1 +17552 C CA . LEU G 29 0.3800 0.9384 1.1650 -0.2350 0.1348 0.0272 30 LEU H CA ? ? 1 +17553 C CB . LEU G 29 0.3878 0.9516 1.1762 -0.2370 0.1433 0.0285 30 LEU H CB ? ? 1 +17554 C CG . LEU G 29 0.3790 0.9674 1.1878 -0.2376 0.1419 0.0243 30 LEU H CG ? ? 1 +17555 C CD1 . LEU G 29 0.3781 0.9788 1.2048 -0.2452 0.1397 0.0179 30 LEU H CD1 ? ? 1 +17556 C CD2 . LEU G 29 0.3861 0.9783 1.1976 -0.2403 0.1515 0.0256 30 LEU H CD2 ? ? 1 +17557 C C . LEU G 29 0.3604 0.9271 1.1451 -0.2247 0.1253 0.0276 30 LEU H C ? ? 1 +17558 O O . LEU G 29 0.3480 0.9302 1.1461 -0.2238 0.1186 0.0235 30 LEU H O ? ? 1 +17559 N N . MET G 30 0.3579 0.9135 1.1268 -0.2170 0.1245 0.0326 31 MET H N ? ? 1 +17560 C CA . MET G 30 0.3402 0.9018 1.1074 -0.2074 0.1158 0.0334 31 MET H CA ? ? 1 +17561 C CB . MET G 30 0.3443 0.8910 1.0924 -0.2000 0.1162 0.0391 31 MET H CB ? ? 1 +17562 C CG . MET G 30 0.3292 0.8815 1.0755 -0.1905 0.1074 0.0398 31 MET H CG ? ? 1 +17563 S SD . MET G 30 0.3325 0.8689 1.0579 -0.1817 0.1072 0.0460 31 MET H SD ? ? 1 +17564 C CE . MET G 30 0.3432 0.8619 1.0567 -0.1819 0.1044 0.0469 31 MET H CE ? ? 1 +17565 C C . MET G 30 0.3325 0.8953 1.1025 -0.2065 0.1075 0.0305 31 MET H C ? ? 1 +17566 O O . MET G 30 0.3178 0.8945 1.0969 -0.2023 0.1004 0.0280 31 MET H O ? ? 1 +17567 N N . ALA G 31 0.3442 0.8918 1.1061 -0.2103 0.1086 0.0308 32 ALA H N ? ? 1 +17568 C CA . ALA G 31 0.3403 0.8865 1.1033 -0.2100 0.1015 0.0281 32 ALA H CA ? ? 1 +17569 C CB . ALA G 31 0.3587 0.8854 1.1108 -0.2151 0.1051 0.0290 32 ALA H CB ? ? 1 +17570 C C . ALA G 31 0.3285 0.8933 1.1107 -0.2142 0.0976 0.0220 32 ALA H C ? ? 1 +17571 O O . ALA G 31 0.3147 0.8867 1.1009 -0.2099 0.0895 0.0199 32 ALA H O ? ? 1 +17572 N N . VAL G 32 0.3314 0.9037 1.1253 -0.2225 0.1036 0.0193 33 VAL H N ? ? 1 +17573 C CA . VAL G 32 0.3223 0.9130 1.1354 -0.2269 0.1005 0.0134 33 VAL H CA ? ? 1 +17574 C CB . VAL G 32 0.3300 0.9266 1.1544 -0.2367 0.1088 0.0110 33 VAL H CB ? ? 1 +17575 C CG1 . VAL G 32 0.3186 0.9371 1.1644 -0.2403 0.1052 0.0047 33 VAL H CG1 ? ? 1 +17576 C CG2 . VAL G 32 0.3482 0.9274 1.1649 -0.2447 0.1146 0.0114 33 VAL H CG2 ? ? 1 +17577 C C . VAL G 32 0.3051 0.9135 1.1270 -0.2197 0.0941 0.0122 33 VAL H C ? ? 1 +17578 O O . VAL G 32 0.2957 0.9134 1.1250 -0.2177 0.0863 0.0088 33 VAL H O ? ? 1 +17579 N N . PHE G 33 0.3024 0.9150 1.1230 -0.2157 0.0974 0.0152 34 PHE H N ? ? 1 +17580 C CA . PHE G 33 0.2886 0.9177 1.1175 -0.2091 0.0923 0.0142 34 PHE H CA ? ? 1 +17581 C CB . PHE G 33 0.2893 0.9203 1.1155 -0.2063 0.0980 0.0176 34 PHE H CB ? ? 1 +17582 C CG . PHE G 33 0.2949 0.9361 1.1338 -0.2133 0.1054 0.0153 34 PHE H CG ? ? 1 +17583 C CD1 . PHE G 33 0.2845 0.9463 1.1415 -0.2140 0.1030 0.0108 34 PHE H CD1 ? ? 1 +17584 C CD2 . PHE G 33 0.3115 0.9413 1.1442 -0.2193 0.1149 0.0175 34 PHE H CD2 ? ? 1 +17585 C CE1 . PHE G 33 0.2880 0.9600 1.1575 -0.2204 0.1099 0.0085 34 PHE H CE1 ? ? 1 +17586 C CE2 . PHE G 33 0.3151 0.9546 1.1601 -0.2261 0.1221 0.0152 34 PHE H CE2 ? ? 1 +17587 C CZ . PHE G 33 0.3029 0.9638 1.1665 -0.2266 0.1196 0.0107 34 PHE H CZ ? ? 1 +17588 C C . PHE G 33 0.2815 0.9077 1.1027 -0.2008 0.0834 0.0153 34 PHE H C ? ? 1 +17589 O O . PHE G 33 0.2703 0.9103 1.1007 -0.1971 0.0767 0.0126 34 PHE H O ? ? 1 +17590 N N . MET G 34 0.2898 0.8982 1.0943 -0.1977 0.0834 0.0193 35 MET H N ? ? 1 +17591 C CA . MET G 34 0.2839 0.8885 1.0806 -0.1902 0.0757 0.0204 35 MET H CA ? ? 1 +17592 C CB . MET G 34 0.2976 0.8819 1.0756 -0.1873 0.0776 0.0252 35 MET H CB ? ? 1 +17593 C CG . MET G 34 0.3002 0.8810 1.0693 -0.1818 0.0805 0.0299 35 MET H CG ? ? 1 +17594 S SD . MET G 34 0.3210 0.8780 1.0681 -0.1780 0.0820 0.0352 35 MET H SD ? ? 1 +17595 C CE . MET G 34 0.3066 0.8651 1.0508 -0.1700 0.0719 0.0347 35 MET H CE ? ? 1 +17596 C C . MET G 34 0.2790 0.8875 1.0825 -0.1924 0.0694 0.0160 35 MET H C ? ? 1 +17597 O O . MET G 34 0.2665 0.8829 1.0730 -0.1870 0.0621 0.0146 35 MET H O ? ? 1 +17598 N N . GLY G 35 0.2879 0.8907 1.0936 -0.2005 0.0726 0.0137 36 GLY H N ? ? 1 +17599 C CA . GLY G 35 0.2864 0.8936 1.0998 -0.2038 0.0673 0.0089 36 GLY H CA ? ? 1 +17600 C C . GLY G 35 0.2731 0.9017 1.1041 -0.2040 0.0628 0.0042 36 GLY H C ? ? 1 +17601 O O . GLY G 35 0.2638 0.8985 1.0974 -0.1998 0.0550 0.0020 36 GLY H O ? ? 1 +17602 N N . LEU G 36 0.2723 0.9120 1.1150 -0.2086 0.0678 0.0025 37 LEU H N ? ? 1 +17603 C CA . LEU G 36 0.2603 0.9209 1.1199 -0.2082 0.0639 -0.0018 37 LEU H CA ? ? 1 +17604 C CB . LEU G 36 0.2621 0.9328 1.1326 -0.2130 0.0710 -0.0026 37 LEU H CB ? ? 1 +17605 C CG . LEU G 36 0.2760 0.9428 1.1513 -0.2235 0.0778 -0.0047 37 LEU H CG ? ? 1 +17606 C CD1 . LEU G 36 0.2783 0.9535 1.1623 -0.2275 0.0859 -0.0047 37 LEU H CD1 ? ? 1 +17607 C CD2 . LEU G 36 0.2760 0.9513 1.1637 -0.2287 0.0730 -0.0108 37 LEU H CD2 ? ? 1 +17608 C C . LEU G 36 0.2453 0.9128 1.1030 -0.1984 0.0574 -0.0003 37 LEU H C ? ? 1 +17609 O O . LEU G 36 0.2367 0.9166 1.1035 -0.1962 0.0506 -0.0039 37 LEU H O ? ? 1 +17610 N N . PHE G 37 0.2424 0.9019 1.0881 -0.1926 0.0595 0.0048 38 PHE H N ? ? 1 +17611 C CA . PHE G 37 0.2290 0.8948 1.0728 -0.1837 0.0543 0.0064 38 PHE H CA ? ? 1 +17612 C CB . PHE G 37 0.2320 0.8893 1.0640 -0.1792 0.0588 0.0119 38 PHE H CB ? ? 1 +17613 C CG . PHE G 37 0.2217 0.8859 1.0523 -0.1706 0.0545 0.0136 38 PHE H CG ? ? 1 +17614 C CD1 . PHE G 37 0.2127 0.8940 1.0560 -0.1691 0.0526 0.0110 38 PHE H CD1 ? ? 1 +17615 C CD2 . PHE G 37 0.2224 0.8759 1.0390 -0.1641 0.0524 0.0177 38 PHE H CD2 ? ? 1 +17616 C CE1 . PHE G 37 0.2031 0.8898 1.0445 -0.1613 0.0489 0.0126 38 PHE H CE1 ? ? 1 +17617 C CE2 . PHE G 37 0.2125 0.8722 1.0280 -0.1566 0.0486 0.0190 38 PHE H CE2 ? ? 1 +17618 C CZ . PHE G 37 0.2033 0.8790 1.0308 -0.1553 0.0470 0.0166 38 PHE H CZ ? ? 1 +17619 C C . PHE G 37 0.2225 0.8842 1.0605 -0.1790 0.0463 0.0059 38 PHE H C ? ? 1 +17620 O O . PHE G 37 0.2109 0.8826 1.0532 -0.1737 0.0401 0.0045 38 PHE H O ? ? 1 +17621 N N . LEU G 38 0.2304 0.8770 1.0583 -0.1810 0.0467 0.0069 39 LEU H N ? ? 1 +17622 C CA . LEU G 38 0.2264 0.8682 1.0486 -0.1773 0.0397 0.0061 39 LEU H CA ? ? 1 +17623 C CB . LEU G 38 0.2407 0.8638 1.0505 -0.1799 0.0419 0.0079 39 LEU H CB ? ? 1 +17624 C CG . LEU G 38 0.2421 0.8592 1.0466 -0.1776 0.0354 0.0064 39 LEU H CG ? ? 1 +17625 C CD1 . LEU G 38 0.2328 0.8509 1.0311 -0.1685 0.0301 0.0086 39 LEU H CD1 ? ? 1 +17626 C CD2 . LEU G 38 0.2572 0.8560 1.0502 -0.1807 0.0385 0.0080 39 LEU H CD2 ? ? 1 +17627 C C . LEU G 38 0.2179 0.8724 1.0529 -0.1795 0.0339 0.0005 39 LEU H C ? ? 1 +17628 O O . LEU G 38 0.2072 0.8674 1.0429 -0.1740 0.0271 -0.0005 39 LEU H O ? ? 1 +17629 N N . VAL G 39 0.2210 0.8800 1.0661 -0.1876 0.0367 -0.0032 40 VAL H N ? ? 1 +17630 C CA . VAL G 39 0.2151 0.8866 1.0730 -0.1903 0.0313 -0.0089 40 VAL H CA ? ? 1 +17631 C CB . VAL G 39 0.2251 0.8987 1.0927 -0.2005 0.0358 -0.0125 40 VAL H CB ? ? 1 +17632 C CG1 . VAL G 39 0.2200 0.9084 1.1025 -0.2034 0.0300 -0.0189 40 VAL H CG1 ? ? 1 +17633 C CG2 . VAL G 39 0.2394 0.8941 1.0957 -0.2051 0.0393 -0.0111 40 VAL H CG2 ? ? 1 +17634 C C . VAL G 39 0.2003 0.8893 1.0683 -0.1853 0.0273 -0.0103 40 VAL H C ? ? 1 +17635 O O . VAL G 39 0.1938 0.8904 1.0661 -0.1823 0.0201 -0.0133 40 VAL H O ? ? 1 +17636 N N . PHE G 40 0.1960 0.8908 1.0671 -0.1842 0.0321 -0.0082 41 PHE H N ? ? 1 +17637 C CA . PHE G 40 0.1840 0.8944 1.0638 -0.1791 0.0289 -0.0092 41 PHE H CA ? ? 1 +17638 C CB . PHE G 40 0.1846 0.8984 1.0664 -0.1793 0.0359 -0.0066 41 PHE H CB ? ? 1 +17639 C CG . PHE G 40 0.1751 0.9027 1.0635 -0.1732 0.0331 -0.0068 41 PHE H CG ? ? 1 +17640 C CD1 . PHE G 40 0.1706 0.9151 1.0743 -0.1741 0.0299 -0.0116 41 PHE H CD1 ? ? 1 +17641 C CD2 . PHE G 40 0.1720 0.8955 1.0509 -0.1662 0.0335 -0.0024 41 PHE H CD2 ? ? 1 +17642 C CE1 . PHE G 40 0.1612 0.9179 1.0704 -0.1682 0.0273 -0.0118 41 PHE H CE1 ? ? 1 +17643 C CE2 . PHE G 40 0.1624 0.8979 1.0467 -0.1605 0.0308 -0.0027 41 PHE H CE2 ? ? 1 +17644 C CZ . PHE G 40 0.1571 0.9088 1.0562 -0.1614 0.0278 -0.0073 41 PHE H CZ ? ? 1 +17645 C C . PHE G 40 0.1758 0.8841 1.0471 -0.1703 0.0223 -0.0072 41 PHE H C ? ? 1 +17646 O O . PHE G 40 0.1673 0.8860 1.0449 -0.1669 0.0158 -0.0101 41 PHE H O ? ? 1 +17647 N N . LEU G 41 0.1776 0.8721 1.0343 -0.1666 0.0239 -0.0024 42 LEU H N ? ? 1 +17648 C CA . LEU G 41 0.1712 0.8630 1.0196 -0.1585 0.0184 -0.0004 42 LEU H CA ? ? 1 +17649 C CB . LEU G 41 0.1765 0.8532 1.0097 -0.1554 0.0215 0.0049 42 LEU H CB ? ? 1 +17650 C CG . LEU G 41 0.1768 0.8537 1.0080 -0.1540 0.0273 0.0084 42 LEU H CG ? ? 1 +17651 C CD1 . LEU G 41 0.1837 0.8451 0.9998 -0.1513 0.0299 0.0132 42 LEU H CD1 ? ? 1 +17652 C CD2 . LEU G 41 0.1652 0.8544 1.0014 -0.1481 0.0244 0.0085 42 LEU H CD2 ? ? 1 +17653 C C . LEU G 41 0.1699 0.8607 1.0177 -0.1579 0.0114 -0.0034 42 LEU H C ? ? 1 +17654 O O . LEU G 41 0.1619 0.8583 1.0099 -0.1522 0.0055 -0.0041 42 LEU H O ? ? 1 +17655 N N . LEU G 42 0.1781 0.8613 1.0247 -0.1638 0.0124 -0.0053 43 LEU H N ? ? 1 +17656 C CA . LEU G 42 0.1786 0.8607 1.0252 -0.1640 0.0062 -0.0086 43 LEU H CA ? ? 1 +17657 C CB . LEU G 42 0.1915 0.8634 1.0360 -0.1713 0.0088 -0.0101 43 LEU H CB ? ? 1 +17658 C CG . LEU G 42 0.2010 0.8549 1.0304 -0.1700 0.0105 -0.0066 43 LEU H CG ? ? 1 +17659 C CD1 . LEU G 42 0.2129 0.8585 1.0413 -0.1766 0.0110 -0.0094 43 LEU H CD1 ? ? 1 +17660 C CD2 . LEU G 42 0.1958 0.8459 1.0159 -0.1619 0.0049 -0.0049 43 LEU H CD2 ? ? 1 +17661 C C . LEU G 42 0.1701 0.8687 1.0302 -0.1641 0.0008 -0.0135 43 LEU H C ? ? 1 +17662 O O . LEU G 42 0.1658 0.8667 1.0244 -0.1598 -0.0058 -0.0150 43 LEU H O ? ? 1 +17663 N N . ILE G 43 0.1679 0.8775 1.0407 -0.1689 0.0039 -0.0160 44 ILE H N ? ? 1 +17664 C CA . ILE G 43 0.1607 0.8867 1.0473 -0.1691 -0.0010 -0.0208 44 ILE H CA ? ? 1 +17665 C CB . ILE G 43 0.1625 0.8994 1.0633 -0.1758 0.0041 -0.0234 44 ILE H CB ? ? 1 +17666 C CG1 . ILE G 43 0.1744 0.9047 1.0771 -0.1847 0.0072 -0.0258 44 ILE H CG1 ? ? 1 +17667 C CG2 . ILE G 43 0.1543 0.9098 1.0695 -0.1741 -0.0008 -0.0277 44 ILE H CG2 ? ? 1 +17668 C CD1 . ILE G 43 0.1787 0.9180 1.0950 -0.1927 0.0133 -0.0284 44 ILE H CD1 ? ? 1 +17669 C C . ILE G 43 0.1480 0.8821 1.0345 -0.1607 -0.0056 -0.0197 44 ILE H C ? ? 1 +17670 O O . ILE G 43 0.1425 0.8819 1.0309 -0.1574 -0.0126 -0.0224 44 ILE H O ? ? 1 +17671 N N . ILE G 44 0.1433 0.8780 1.0272 -0.1572 -0.0016 -0.0159 45 ILE H N ? ? 1 +17672 C CA . ILE G 44 0.1332 0.8761 1.0179 -0.1497 -0.0052 -0.0149 45 ILE H CA ? ? 1 +17673 C CB . ILE G 44 0.1299 0.8748 1.0141 -0.1475 0.0004 -0.0113 45 ILE H CB ? ? 1 +17674 C CG1 . ILE G 44 0.1334 0.8631 1.0033 -0.1460 0.0047 -0.0060 45 ILE H CG1 ? ? 1 +17675 C CG2 . ILE G 44 0.1317 0.8865 1.0289 -0.1535 0.0057 -0.0135 45 ILE H CG2 ? ? 1 +17676 C CD1 . ILE G 44 0.1301 0.8616 0.9986 -0.1431 0.0093 -0.0026 45 ILE H CD1 ? ? 1 +17677 C C . ILE G 44 0.1308 0.8656 1.0036 -0.1434 -0.0105 -0.0130 45 ILE H C ? ? 1 +17678 O O . ILE G 44 0.1236 0.8653 0.9977 -0.1379 -0.0157 -0.0138 45 ILE H O ? ? 1 +17679 N N . LEU G 45 0.1374 0.8575 0.9988 -0.1444 -0.0088 -0.0105 46 LEU H N ? ? 1 +17680 C CA . LEU G 45 0.1376 0.8493 0.9879 -0.1391 -0.0132 -0.0089 46 LEU H CA ? ? 1 +17681 C CB . LEU G 45 0.1458 0.8410 0.9836 -0.1401 -0.0096 -0.0055 46 LEU H CB ? ? 1 +17682 C CG . LEU G 45 0.1470 0.8330 0.9739 -0.1357 -0.0140 -0.0046 46 LEU H CG ? ? 1 +17683 C CD1 . LEU G 45 0.1390 0.8276 0.9616 -0.1282 -0.0167 -0.0022 46 LEU H CD1 ? ? 1 +17684 C CD2 . LEU G 45 0.1556 0.8260 0.9715 -0.1373 -0.0104 -0.0017 46 LEU H CD2 ? ? 1 +17685 C C . LEU G 45 0.1375 0.8524 0.9909 -0.1396 -0.0199 -0.0133 46 LEU H C ? ? 1 +17686 O O . LEU G 45 0.1339 0.8507 0.9842 -0.1340 -0.0253 -0.0136 46 LEU H O ? ? 1 +17687 N N . GLU G 46 0.1431 0.8577 1.0018 -0.1463 -0.0194 -0.0168 47 GLU H N ? ? 1 +17688 C CA . GLU G 46 0.1442 0.8605 1.0049 -0.1471 -0.0257 -0.0211 47 GLU H CA ? ? 1 +17689 C CB . GLU G 46 0.1543 0.8646 1.0167 -0.1550 -0.0237 -0.0237 47 GLU H CB ? ? 1 +17690 C CG . GLU G 46 0.1615 0.8545 1.0106 -0.1556 -0.0200 -0.0200 47 GLU H CG ? ? 1 +17691 C CD . GLU G 46 0.1729 0.8573 1.0211 -0.1629 -0.0180 -0.0222 47 GLU H CD ? ? 1 +17692 O OE1 . GLU G 46 0.1757 0.8666 1.0328 -0.1675 -0.0208 -0.0272 47 GLU H OE1 ? ? 1 +17693 O OE2 . GLU G 46 0.1803 0.8509 1.0186 -0.1639 -0.0135 -0.0189 47 GLU H OE2 ? ? 1 +17694 C C . GLU G 46 0.1365 0.8687 1.0086 -0.1452 -0.0309 -0.0250 47 GLU H C ? ? 1 +17695 O O . GLU G 46 0.1365 0.8705 1.0082 -0.1432 -0.0374 -0.0279 47 GLU H O ? ? 1 +17696 N N . ILE G 47 0.1302 0.8735 1.0119 -0.1454 -0.0282 -0.0250 48 ILE H N ? ? 1 +17697 C CA . ILE G 47 0.1221 0.8805 1.0139 -0.1423 -0.0329 -0.0281 48 ILE H CA ? ? 1 +17698 C CB . ILE G 47 0.1184 0.8888 1.0228 -0.1450 -0.0284 -0.0288 48 ILE H CB ? ? 1 +17699 C CG1 . ILE G 47 0.1252 0.8992 1.0399 -0.1538 -0.0258 -0.0326 48 ILE H CG1 ? ? 1 +17700 C CG2 . ILE G 47 0.1102 0.8947 1.0226 -0.1398 -0.0329 -0.0307 48 ILE H CG2 ? ? 1 +17701 C CD1 . ILE G 47 0.1248 0.9069 1.0497 -0.1578 -0.0187 -0.0323 48 ILE H CD1 ? ? 1 +17702 C C . ILE G 47 0.1138 0.8714 0.9977 -0.1337 -0.0368 -0.0254 48 ILE H C ? ? 1 +17703 O O . ILE G 47 0.1117 0.8733 0.9958 -0.1300 -0.0434 -0.0278 48 ILE H O ? ? 1 +17704 N N . TYR G 48 0.1103 0.8621 0.9868 -0.1304 -0.0327 -0.0205 49 TYR H N ? ? 1 +17705 C CA . TYR G 48 0.1046 0.8537 0.9724 -0.1227 -0.0357 -0.0178 49 TYR H CA ? ? 1 +17706 C CB . TYR G 48 0.1024 0.8440 0.9622 -0.1207 -0.0301 -0.0125 49 TYR H CB ? ? 1 +17707 C CG . TYR G 48 0.0938 0.8396 0.9516 -0.1139 -0.0313 -0.0102 49 TYR H CG ? ? 1 +17708 C CD1 . TYR G 48 0.0895 0.8370 0.9440 -0.1084 -0.0374 -0.0109 49 TYR H CD1 ? ? 1 +17709 C CD2 . TYR G 48 0.0905 0.8377 0.9488 -0.1130 -0.0263 -0.0072 49 TYR H CD2 ? ? 1 +17710 C CE1 . TYR G 48 0.0830 0.8334 0.9350 -0.1023 -0.0383 -0.0088 49 TYR H CE1 ? ? 1 +17711 C CE2 . TYR G 48 0.0837 0.8342 0.9397 -0.1068 -0.0273 -0.0052 49 TYR H CE2 ? ? 1 +17712 C CZ . TYR G 48 0.0800 0.8318 0.9327 -0.1016 -0.0333 -0.0059 49 TYR H CZ ? ? 1 +17713 O OH . TYR G 48 0.0735 0.8277 0.9234 -0.0957 -0.0342 -0.0039 49 TYR H OH ? ? 1 +17714 C C . TYR G 48 0.1071 0.8476 0.9654 -0.1204 -0.0407 -0.0182 49 TYR H C ? ? 1 +17715 O O . TYR G 48 0.1029 0.8454 0.9581 -0.1149 -0.0457 -0.0185 49 TYR H O ? ? 1 +17716 N N . ASN G 49 0.1149 0.8456 0.9686 -0.1248 -0.0392 -0.0185 50 ASN H N ? ? 1 +17717 C CA . ASN G 49 0.1197 0.8409 0.9637 -0.1230 -0.0431 -0.0188 50 ASN H CA ? ? 1 +17718 C CB . ASN G 49 0.1283 0.8363 0.9652 -0.1272 -0.0389 -0.0171 50 ASN H CB ? ? 1 +17719 C CG . ASN G 49 0.1322 0.8287 0.9570 -0.1242 -0.0415 -0.0161 50 ASN H CG ? ? 1 +17720 O OD1 . ASN G 49 0.1273 0.8209 0.9447 -0.1183 -0.0426 -0.0133 50 ASN H OD1 ? ? 1 +17721 N ND2 . ASN G 49 0.1411 0.8311 0.9641 -0.1284 -0.0424 -0.0186 50 ASN H ND2 ? ? 1 +17722 C C . ASN G 49 0.1225 0.8486 0.9709 -0.1240 -0.0495 -0.0239 50 ASN H C ? ? 1 +17723 O O . ASN G 49 0.1247 0.8439 0.9649 -0.1216 -0.0533 -0.0243 50 ASN H O ? ? 1 +17724 N N . SER G 50 0.1225 0.8604 0.9839 -0.1278 -0.0506 -0.0279 51 SER H N ? ? 1 +17725 C CA . SER G 50 0.1266 0.8695 0.9933 -0.1298 -0.0566 -0.0333 51 SER H CA ? ? 1 +17726 C CB . SER G 50 0.1237 0.8684 0.9856 -0.1230 -0.0635 -0.0341 51 SER H CB ? ? 1 +17727 O OG . SER G 50 0.1160 0.8701 0.9820 -0.1181 -0.0640 -0.0328 51 SER H OG ? ? 1 +17728 C C . SER G 50 0.1367 0.8697 0.9995 -0.1353 -0.0563 -0.0351 51 SER H C ? ? 1 +17729 O O . SER G 50 0.1402 0.8730 1.0024 -0.1356 -0.0619 -0.0388 51 SER H O ? ? 1 +17730 N N . THR G 51 0.1423 0.8665 1.0018 -0.1395 -0.0499 -0.0325 52 THR H N ? ? 1 +17731 C CA . THR G 51 0.1531 0.8685 1.0106 -0.1459 -0.0485 -0.0343 52 THR H CA ? ? 1 +17732 C CB . THR G 51 0.1565 0.8572 1.0030 -0.1464 -0.0424 -0.0295 52 THR H CB ? ? 1 +17733 O OG1 . THR G 51 0.1554 0.8473 0.9894 -0.1401 -0.0449 -0.0269 52 THR H OG1 ? ? 1 +17734 C CG2 . THR G 51 0.1665 0.8582 1.0121 -0.1538 -0.0394 -0.0311 52 THR H CG2 ? ? 1 +17735 C C . THR G 51 0.1577 0.8827 1.0294 -0.1533 -0.0469 -0.0384 52 THR H C ? ? 1 +17736 O O . THR G 51 0.1662 0.8891 1.0404 -0.1587 -0.0485 -0.0422 52 THR H O ? ? 1 +17737 N N . LEU G 52 0.1546 0.8897 1.0355 -0.1538 -0.0434 -0.0376 53 LEU H N ? ? 1 +17738 C CA . LEU G 52 0.1579 0.9044 1.0538 -0.1604 -0.0419 -0.0416 53 LEU H CA ? ? 1 +17739 C CB . LEU G 52 0.1593 0.9043 1.0578 -0.1646 -0.0331 -0.0386 53 LEU H CB ? ? 1 +17740 C CG . LEU G 52 0.1623 0.9188 1.0764 -0.1717 -0.0301 -0.0423 53 LEU H CG ? ? 1 +17741 C CD1 . LEU G 52 0.1712 0.9260 1.0896 -0.1790 -0.0318 -0.0471 53 LEU H CD1 ? ? 1 +17742 C CD2 . LEU G 52 0.1641 0.9168 1.0779 -0.1751 -0.0210 -0.0385 53 LEU H CD2 ? ? 1 +17743 C C . LEU G 52 0.1521 0.9149 1.0582 -0.1562 -0.0470 -0.0443 53 LEU H C ? ? 1 +17744 O O . LEU G 52 0.1439 0.9107 1.0488 -0.1504 -0.0464 -0.0413 53 LEU H O ? ? 1 +17745 N N . ILE G 53 0.1583 0.9301 1.0738 -0.1590 -0.0524 -0.0501 54 ILE H N ? ? 1 +17746 C CA . ILE G 53 0.1558 0.9429 1.0808 -0.1549 -0.0583 -0.0534 54 ILE H CA ? ? 1 +17747 C CB . ILE G 53 0.1578 0.9428 1.0768 -0.1508 -0.0671 -0.0561 54 ILE H CB ? ? 1 +17748 C CG1 . ILE G 53 0.1577 0.9280 1.0592 -0.1450 -0.0675 -0.0514 54 ILE H CG1 ? ? 1 +17749 C CG2 . ILE G 53 0.1525 0.9528 1.0804 -0.1458 -0.0735 -0.0593 54 ILE H CG2 ? ? 1 +17750 C CD1 . ILE G 53 0.1619 0.9270 1.0558 -0.1424 -0.0747 -0.0539 54 ILE H CD1 ? ? 1 +17751 C C . ILE G 53 0.1606 0.9617 1.1031 -0.1615 -0.0573 -0.0583 54 ILE H C ? ? 1 +17752 O O . ILE G 53 0.1679 0.9687 1.1152 -0.1680 -0.0583 -0.0623 54 ILE H O ? ? 1 +17753 N N . LEU G 54 0.1587 0.9723 1.1109 -0.1596 -0.0552 -0.0579 55 LEU H N ? ? 1 +17754 C CA . LEU G 54 0.1631 0.9913 1.1329 -0.1653 -0.0533 -0.0621 55 LEU H CA ? ? 1 +17755 C CB . LEU G 54 0.1594 0.9891 1.1324 -0.1669 -0.0444 -0.0584 55 LEU H CB ? ? 1 +17756 C CG . LEU G 54 0.1642 0.9777 1.1263 -0.1707 -0.0367 -0.0537 55 LEU H CG ? ? 1 +17757 C CD1 . LEU G 54 0.1624 0.9788 1.1286 -0.1723 -0.0283 -0.0506 55 LEU H CD1 ? ? 1 +17758 C CD2 . LEU G 54 0.1742 0.9809 1.1371 -0.1794 -0.0354 -0.0565 55 LEU H CD2 ? ? 1 +17759 C C . LEU G 54 0.1643 1.0092 1.1452 -0.1610 -0.0605 -0.0665 55 LEU H C ? ? 1 +17760 O O . LEU G 54 0.1553 1.0015 1.1307 -0.1527 -0.0646 -0.0647 55 LEU H O ? ? 1 +17761 N N . ASP G 55 0.1777 1.0355 1.1743 -0.1666 -0.0621 -0.0725 56 ASP H N ? ? 1 +17762 C CA . ASP G 55 0.1841 1.0590 1.1927 -0.1627 -0.0689 -0.0770 56 ASP H CA ? ? 1 +17763 C CB . ASP G 55 0.1987 1.0868 1.2248 -0.1702 -0.0704 -0.0840 56 ASP H CB ? ? 1 +17764 C CG . ASP G 55 0.2154 1.0993 1.2383 -0.1721 -0.0779 -0.0882 56 ASP H CG ? ? 1 +17765 O OD1 . ASP G 55 0.2202 1.1012 1.2342 -0.1648 -0.0854 -0.0882 56 ASP H OD1 ? ? 1 +17766 O OD2 . ASP G 55 0.2376 1.1207 1.2664 -0.1808 -0.0762 -0.0917 56 ASP H OD2 ? ? 1 +17767 C C . ASP G 55 0.1770 1.0614 1.1905 -0.1572 -0.0660 -0.0744 56 ASP H C ? ? 1 +17768 O O . ASP G 55 0.1739 1.0597 1.1919 -0.1607 -0.0579 -0.0722 56 ASP H O ? ? 1 +17769 N N . GLY G 56 0.1769 1.0667 1.1884 -0.1486 -0.0727 -0.0747 57 GLY H N ? ? 1 +17770 C CA . GLY G 56 0.1755 1.0737 1.1905 -0.1424 -0.0711 -0.0725 57 GLY H CA ? ? 1 +17771 C C . GLY G 56 0.1787 1.0644 1.1800 -0.1388 -0.0651 -0.0653 57 GLY H C ? ? 1 +17772 O O . GLY G 56 0.1781 1.0696 1.1820 -0.1347 -0.0623 -0.0631 57 GLY H O ? ? 1 +17773 N N . VAL G 57 0.1876 1.0564 1.1745 -0.1402 -0.0631 -0.0617 58 VAL H N ? ? 1 +17774 C CA . VAL G 57 0.1910 1.0479 1.1646 -0.1367 -0.0581 -0.0551 58 VAL H CA ? ? 1 +17775 C CB . VAL G 57 0.1943 1.0402 1.1636 -0.1435 -0.0496 -0.0521 58 VAL H CB ? ? 1 +17776 C CG1 . VAL G 57 0.1930 1.0259 1.1475 -0.1392 -0.0453 -0.0453 58 VAL H CG1 ? ? 1 +17777 C CG2 . VAL G 57 0.1939 1.0498 1.1776 -0.1501 -0.0434 -0.0541 58 VAL H CG2 ? ? 1 +17778 C C . VAL G 57 0.2001 1.0463 1.1586 -0.1302 -0.0637 -0.0530 58 VAL H C ? ? 1 +17779 O O . VAL G 57 0.2008 1.0347 1.1496 -0.1323 -0.0643 -0.0521 58 VAL H O ? ? 1 +17780 N N . ASN G 58 0.2107 1.0619 1.1675 -0.1222 -0.0677 -0.0521 59 ASN H N ? ? 1 +17781 C CA . ASN G 58 0.2201 1.0631 1.1637 -0.1154 -0.0734 -0.0504 59 ASN H CA ? ? 1 +17782 C CB . ASN G 58 0.2470 1.1013 1.1961 -0.1095 -0.0813 -0.0541 59 ASN H CB ? ? 1 +17783 C CG . ASN G 58 0.2831 1.1287 1.2181 -0.1024 -0.0868 -0.0522 59 ASN H CG ? ? 1 +17784 O OD1 . ASN G 58 0.3132 1.1463 1.2369 -0.1033 -0.0876 -0.0509 59 ASN H OD1 ? ? 1 +17785 N ND2 . ASN G 58 0.3031 1.1543 1.2377 -0.0951 -0.0904 -0.0518 59 ASN H ND2 ? ? 1 +17786 C C . ASN G 58 0.2009 1.0339 1.1323 -0.1110 -0.0690 -0.0441 59 ASN H C ? ? 1 +17787 O O . ASN G 58 0.1806 1.0190 1.1137 -0.1063 -0.0679 -0.0423 59 ASN H O ? ? 1 +17788 N N . VAL G 59 0.2002 1.0186 1.1195 -0.1125 -0.0667 -0.0410 60 VAL H N ? ? 1 +17789 C CA . VAL G 59 0.1990 1.0068 1.1068 -0.1096 -0.0621 -0.0352 60 VAL H CA ? ? 1 +17790 C CB . VAL G 59 0.2018 0.9961 1.1014 -0.1145 -0.0579 -0.0330 60 VAL H CB ? ? 1 +17791 C CG1 . VAL G 59 0.1992 0.9828 1.0870 -0.1112 -0.0535 -0.0272 60 VAL H CG1 ? ? 1 +17792 C CG2 . VAL G 59 0.2047 1.0023 1.1141 -0.1227 -0.0529 -0.0349 60 VAL H CG2 ? ? 1 +17793 C C . VAL G 59 0.1969 1.0009 1.0946 -0.1016 -0.0670 -0.0334 60 VAL H C ? ? 1 +17794 O O . VAL G 59 0.1889 0.9826 1.0757 -0.1001 -0.0694 -0.0323 60 VAL H O ? ? 1 +17795 N N . SER G 60 0.2015 1.0143 1.1034 -0.0965 -0.0683 -0.0333 61 SER H N ? ? 1 +17796 C CA . SER G 60 0.2139 1.0252 1.1081 -0.0888 -0.0734 -0.0323 61 SER H CA ? ? 1 +17797 C CB . SER G 60 0.2272 1.0431 1.1236 -0.0872 -0.0814 -0.0369 61 SER H CB ? ? 1 +17798 O OG . SER G 60 0.2390 1.0530 1.1275 -0.0796 -0.0861 -0.0358 61 SER H OG ? ? 1 +17799 C C . SER G 60 0.2173 1.0366 1.1159 -0.0843 -0.0720 -0.0310 61 SER H C ? ? 1 +17800 O O . SER G 60 0.2047 1.0337 1.1148 -0.0869 -0.0689 -0.0324 61 SER H O ? ? 1 +17801 N N . TRP G 61 0.2299 1.0448 1.1192 -0.0775 -0.0742 -0.0284 62 TRP H N ? ? 1 +17802 C CA . TRP G 61 0.2432 1.0653 1.1357 -0.0723 -0.0742 -0.0277 62 TRP H CA ? ? 1 +17803 C CB . TRP G 61 0.2188 1.0333 1.0988 -0.0653 -0.0769 -0.0248 62 TRP H CB ? ? 1 +17804 C CG . TRP G 61 0.2020 1.0037 1.0701 -0.0653 -0.0725 -0.0199 62 TRP H CG ? ? 1 +17805 C CD1 . TRP G 61 0.1963 0.9866 1.0534 -0.0654 -0.0736 -0.0183 62 TRP H CD1 ? ? 1 +17806 N NE1 . TRP G 61 0.1966 0.9781 1.0456 -0.0652 -0.0687 -0.0139 62 TRP H NE1 ? ? 1 +17807 C CE2 . TRP G 61 0.1899 0.9763 1.0438 -0.0648 -0.0644 -0.0123 62 TRP H CE2 ? ? 1 +17808 C CZ2 . TRP G 61 0.1810 0.9621 1.0298 -0.0643 -0.0591 -0.0082 62 TRP H CZ2 ? ? 1 +17809 C CH2 . TRP G 61 0.1758 0.9638 1.0312 -0.0639 -0.0557 -0.0077 62 TRP H CH2 ? ? 1 +17810 C CZ3 . TRP G 61 0.1715 0.9720 1.0389 -0.0640 -0.0573 -0.0112 62 TRP H CZ3 ? ? 1 +17811 C CE3 . TRP G 61 0.1738 0.9802 1.0467 -0.0644 -0.0627 -0.0153 62 TRP H CE3 ? ? 1 +17812 C CD2 . TRP G 61 0.1849 0.9841 1.0508 -0.0648 -0.0665 -0.0160 62 TRP H CD2 ? ? 1 +17813 C C . TRP G 61 0.3015 1.1381 1.2069 -0.0713 -0.0789 -0.0327 62 TRP H C ? ? 1 +17814 O O . TRP G 61 0.2794 1.1254 1.1928 -0.0694 -0.0774 -0.0332 62 TRP H O ? ? 1 +17815 N N . LYS G 62 0.3897 1.2280 1.2968 -0.0726 -0.0847 -0.0366 63 LYS H N ? ? 1 +17816 C CA . LYS G 62 0.4863 1.3382 1.4054 -0.0715 -0.0902 -0.0418 63 LYS H CA ? ? 1 +17817 C CB . LYS G 62 0.5459 1.3951 1.4613 -0.0715 -0.0974 -0.0452 63 LYS H CB ? ? 1 +17818 C CG . LYS G 62 0.6058 1.4452 1.5061 -0.0644 -0.1018 -0.0428 63 LYS H CG ? ? 1 +17819 C CD . LYS G 62 0.6670 1.5106 1.5673 -0.0604 -0.1110 -0.0471 63 LYS H CD ? ? 1 +17820 C CE . LYS G 62 0.7244 1.5635 1.6226 -0.0648 -0.1142 -0.0500 63 LYS H CE ? ? 1 +17821 N NZ . LYS G 62 0.7391 1.5760 1.6300 -0.0595 -0.1225 -0.0522 63 LYS H NZ ? ? 1 +17822 C C . LYS G 62 0.5576 1.4218 1.4930 -0.0773 -0.0866 -0.0448 63 LYS H C ? ? 1 +17823 O O . LYS G 62 0.5591 1.4359 1.5062 -0.0772 -0.0909 -0.0496 63 LYS H O ? ? 1 +17824 N N . ALA G 63 0.6529 1.5137 1.5892 -0.0821 -0.0787 -0.0420 64 ALA H N ? ? 1 +17825 C CA . ALA G 63 0.7192 1.5912 1.6699 -0.0867 -0.0738 -0.0438 64 ALA H CA ? ? 1 +17826 C CB . ALA G 63 0.7030 1.5676 1.6525 -0.0945 -0.0668 -0.0419 64 ALA H CB ? ? 1 +17827 C C . ALA G 63 0.8062 1.6839 1.7595 -0.0820 -0.0706 -0.0416 64 ALA H C ? ? 1 +17828 O O . ALA G 63 0.8912 1.7789 1.8564 -0.0848 -0.0664 -0.0430 64 ALA H O ? ? 1 +17829 N N . LEU G 64 0.8017 1.6727 1.7436 -0.0749 -0.0726 -0.0384 65 LEU H N ? ? 1 +17830 C CA . LEU G 64 0.7990 1.6731 1.7406 -0.0694 -0.0704 -0.0361 65 LEU H CA ? ? 1 +17831 C CB . LEU G 64 0.7933 1.6843 1.7515 -0.0692 -0.0697 -0.0398 65 LEU H CB ? ? 1 +17832 C CG . LEU G 64 0.7538 1.6564 1.7197 -0.0646 -0.0779 -0.0446 65 LEU H CG ? ? 1 +17833 C CD1 . LEU G 64 0.7338 1.6401 1.7057 -0.0691 -0.0828 -0.0493 65 LEU H CD1 ? ? 1 +17834 C CD2 . LEU G 64 0.7540 1.6715 1.7338 -0.0628 -0.0763 -0.0470 65 LEU H CD2 ? ? 1 +17835 C C . LEU G 64 0.8463 1.7098 1.7792 -0.0710 -0.0628 -0.0307 65 LEU H C ? ? 1 +17836 O O . LEU G 64 0.8716 1.7235 1.7909 -0.0676 -0.0633 -0.0270 65 LEU H O ? ? 1 +17837 O OXT . LEU G 64 0.8879 1.7540 1.8268 -0.0756 -0.0564 -0.0301 65 LEU H OXT ? ? 1 +17838 N N . FME H 1 0.2253 1.0606 1.1273 -0.0680 0.0659 -0.0265 1 FME I N ? ? 1 +17839 C CN . FME H 1 0.2234 1.0688 1.1359 -0.0688 0.0607 -0.0288 1 FME I CN ? ? 1 +17840 O O1 . FME H 1 0.2172 1.0704 1.1363 -0.0639 0.0543 -0.0301 1 FME I O1 ? ? 1 +17841 C CA . FME H 1 0.2201 1.0519 1.1167 -0.0611 0.0644 -0.0250 1 FME I CA ? ? 1 +17842 C CB . FME H 1 0.2253 1.0439 1.1084 -0.0619 0.0705 -0.0223 1 FME I CB ? ? 1 +17843 C CG . FME H 1 0.2278 1.0318 1.0964 -0.0649 0.0694 -0.0184 1 FME I CG ? ? 1 +17844 S SD . FME H 1 0.2211 1.0213 1.0847 -0.0611 0.0589 -0.0160 1 FME I SD ? ? 1 +17845 C CE . FME H 1 0.2242 1.0057 1.0687 -0.0628 0.0595 -0.0113 1 FME I CE ? ? 1 +17846 C C . FME H 1 0.2207 1.0665 1.1309 -0.0570 0.0651 -0.0287 1 FME I C ? ? 1 +17847 O O . FME H 1 0.2013 1.0488 1.1118 -0.0504 0.0595 -0.0284 1 FME I O ? ? 1 +17848 N N . GLU H 2 0.2434 1.0992 1.1649 -0.0610 0.0715 -0.0322 2 GLU I N ? ? 1 +17849 C CA . GLU H 2 0.2511 1.1208 1.1860 -0.0566 0.0720 -0.0359 2 GLU I CA ? ? 1 +17850 C CB . GLU H 2 0.2917 1.1702 1.2371 -0.0618 0.0808 -0.0393 2 GLU I CB ? ? 1 +17851 C CG . GLU H 2 0.3369 1.2273 1.2936 -0.0574 0.0838 -0.0428 2 GLU I CG ? ? 1 +17852 C CD . GLU H 2 0.3829 1.2649 1.3299 -0.0532 0.0884 -0.0409 2 GLU I CD ? ? 1 +17853 O OE1 . GLU H 2 0.4087 1.2749 1.3392 -0.0527 0.0880 -0.0368 2 GLU I OE1 ? ? 1 +17854 O OE2 . GLU H 2 0.4017 1.2932 1.3579 -0.0503 0.0922 -0.0439 2 GLU I OE2 ? ? 1 +17855 C C . GLU H 2 0.2154 1.0963 1.1610 -0.0532 0.0635 -0.0380 2 GLU I C ? ? 1 +17856 O O . GLU H 2 0.1990 1.0852 1.1485 -0.0463 0.0597 -0.0389 2 GLU I O ? ? 1 +17857 N N . THR H 3 0.1986 1.0822 1.1479 -0.0579 0.0605 -0.0387 3 THR I N ? ? 1 +17858 C CA . THR H 3 0.1870 1.0804 1.1453 -0.0551 0.0522 -0.0407 3 THR I CA ? ? 1 +17859 C CB . THR H 3 0.1963 1.0911 1.1574 -0.0616 0.0501 -0.0415 3 THR I CB ? ? 1 +17860 O OG1 . THR H 3 0.2130 1.1087 1.1774 -0.0693 0.0580 -0.0429 3 THR I OG1 ? ? 1 +17861 C CG2 . THR H 3 0.1914 1.1009 1.1667 -0.0597 0.0434 -0.0453 3 THR I CG2 ? ? 1 +17862 C C . THR H 3 0.1658 1.0515 1.1144 -0.0482 0.0447 -0.0375 3 THR I C ? ? 1 +17863 O O . THR H 3 0.1544 1.0480 1.1096 -0.0422 0.0394 -0.0391 3 THR I O ? ? 1 +17864 N N . LEU H 4 0.1532 1.0233 1.0861 -0.0493 0.0443 -0.0331 4 LEU I N ? ? 1 +17865 C CA . LEU H 4 0.1370 0.9985 1.0597 -0.0436 0.0380 -0.0298 4 LEU I CA ? ? 1 +17866 C CB . LEU H 4 0.1413 0.9864 1.0477 -0.0461 0.0392 -0.0254 4 LEU I CB ? ? 1 +17867 C CG . LEU H 4 0.1394 0.9751 1.0350 -0.0409 0.0333 -0.0220 4 LEU I CG ? ? 1 +17868 C CD1 . LEU H 4 0.1352 0.9755 1.0346 -0.0389 0.0254 -0.0224 4 LEU I CD1 ? ? 1 +17869 C CD2 . LEU H 4 0.1438 0.9643 1.0244 -0.0436 0.0350 -0.0180 4 LEU I CD2 ? ? 1 +17870 C C . LEU H 4 0.1277 0.9906 1.0506 -0.0365 0.0381 -0.0301 4 LEU I C ? ? 1 +17871 O O . LEU H 4 0.1214 0.9866 1.0454 -0.0305 0.0319 -0.0300 4 LEU I O ? ? 1 +17872 N N . LYS H 5 0.1233 0.9842 1.0447 -0.0372 0.0454 -0.0303 5 LYS I N ? ? 1 +17873 C CA . LYS H 5 0.1218 0.9833 1.0430 -0.0308 0.0464 -0.0307 5 LYS I CA ? ? 1 +17874 C CB . LYS H 5 0.1284 0.9868 1.0470 -0.0331 0.0556 -0.0309 5 LYS I CB ? ? 1 +17875 C CG . LYS H 5 0.1329 0.9908 1.0501 -0.0266 0.0572 -0.0313 5 LYS I CG ? ? 1 +17876 C CD . LYS H 5 0.1413 0.9966 1.0563 -0.0292 0.0664 -0.0318 5 LYS I CD ? ? 1 +17877 C CE . LYS H 5 0.1470 1.0020 1.0608 -0.0226 0.0682 -0.0325 5 LYS I CE ? ? 1 +17878 N NZ . LYS H 5 0.1550 1.0073 1.0662 -0.0250 0.0776 -0.0331 5 LYS I NZ ? ? 1 +17879 C C . LYS H 5 0.1160 0.9929 1.0520 -0.0260 0.0430 -0.0345 5 LYS I C ? ? 1 +17880 O O . LYS H 5 0.1136 0.9898 1.0478 -0.0192 0.0379 -0.0339 5 LYS I O ? ? 1 +17881 N N . ILE H 6 0.1104 1.0010 1.0610 -0.0295 0.0458 -0.0386 6 ILE I N ? ? 1 +17882 C CA . ILE H 6 0.1045 1.0109 1.0703 -0.0251 0.0425 -0.0427 6 ILE I CA ? ? 1 +17883 C CB . ILE H 6 0.1062 1.0280 1.0886 -0.0305 0.0465 -0.0474 6 ILE I CB ? ? 1 +17884 C CG1 . ILE H 6 0.1115 1.0333 1.0953 -0.0353 0.0570 -0.0483 6 ILE I CG1 ? ? 1 +17885 C CG2 . ILE H 6 0.1039 1.0427 1.1024 -0.0252 0.0423 -0.0518 6 ILE I CG2 ? ? 1 +17886 C CD1 . ILE H 6 0.1167 1.0364 1.0976 -0.0295 0.0612 -0.0482 6 ILE I CD1 ? ? 1 +17887 C C . ILE H 6 0.0966 1.0037 1.0618 -0.0208 0.0326 -0.0420 6 ILE I C ? ? 1 +17888 O O . ILE H 6 0.0944 1.0060 1.0629 -0.0136 0.0283 -0.0429 6 ILE I O ? ? 1 +17889 N N . THR H 7 0.0928 0.9953 1.0536 -0.0251 0.0292 -0.0404 7 THR I N ? ? 1 +17890 C CA . THR H 7 0.0897 0.9915 1.0485 -0.0216 0.0202 -0.0394 7 THR I CA ? ? 1 +17891 C CB . THR H 7 0.0893 0.9843 1.0418 -0.0278 0.0184 -0.0374 7 THR I CB ? ? 1 +17892 O OG1 . THR H 7 0.0883 0.9923 1.0512 -0.0345 0.0222 -0.0406 7 THR I OG1 ? ? 1 +17893 C CG2 . THR H 7 0.0867 0.9811 1.0371 -0.0247 0.0093 -0.0366 7 THR I CG2 ? ? 1 +17894 C C . THR H 7 0.0894 0.9812 1.0369 -0.0144 0.0163 -0.0362 7 THR I C ? ? 1 +17895 O O . THR H 7 0.0883 0.9852 1.0397 -0.0081 0.0104 -0.0372 7 THR I O ? ? 1 +17896 N N . VAL H 8 0.0888 0.9663 1.0226 -0.0154 0.0194 -0.0324 8 VAL I N ? ? 1 +17897 C CA . VAL H 8 0.0885 0.9557 1.0112 -0.0093 0.0162 -0.0293 8 VAL I CA ? ? 1 +17898 C CB . VAL H 8 0.0903 0.9415 0.9975 -0.0120 0.0196 -0.0251 8 VAL I CB ? ? 1 +17899 C CG1 . VAL H 8 0.0926 0.9335 0.9890 -0.0059 0.0161 -0.0222 8 VAL I CG1 ? ? 1 +17900 C CG2 . VAL H 8 0.0878 0.9327 0.9890 -0.0179 0.0183 -0.0230 8 VAL I CG2 ? ? 1 +17901 C C . VAL H 8 0.0901 0.9634 1.0185 -0.0025 0.0169 -0.0314 8 VAL I C ? ? 1 +17902 O O . VAL H 8 0.0894 0.9615 1.0157 0.0040 0.0114 -0.0308 8 VAL I O ? ? 1 +17903 N N . TYR H 9 0.0938 0.9736 1.0293 -0.0038 0.0237 -0.0339 9 TYR I N ? ? 1 +17904 C CA . TYR H 9 0.0974 0.9847 1.0400 0.0026 0.0246 -0.0365 9 TYR I CA ? ? 1 +17905 C CB . TYR H 9 0.1029 0.9976 1.0538 -0.0004 0.0333 -0.0394 9 TYR I CB ? ? 1 +17906 C CG . TYR H 9 0.1126 0.9953 1.0520 -0.0012 0.0397 -0.0370 9 TYR I CG ? ? 1 +17907 C CD1 . TYR H 9 0.1182 0.9861 1.0430 -0.0051 0.0404 -0.0329 9 TYR I CD1 ? ? 1 +17908 C CD2 . TYR H 9 0.1196 1.0057 1.0624 0.0022 0.0449 -0.0389 9 TYR I CD2 ? ? 1 +17909 C CE1 . TYR H 9 0.1249 0.9816 1.0386 -0.0055 0.0457 -0.0308 9 TYR I CE1 ? ? 1 +17910 C CE2 . TYR H 9 0.1285 1.0032 1.0600 0.0016 0.0507 -0.0368 9 TYR I CE2 ? ? 1 +17911 C CZ . TYR H 9 0.1317 0.9916 1.0486 -0.0023 0.0509 -0.0328 9 TYR I CZ ? ? 1 +17912 O OH . TYR H 9 0.1427 0.9915 1.0484 -0.0027 0.0562 -0.0310 9 TYR I OH ? ? 1 +17913 C C . TYR H 9 0.0914 0.9911 1.0454 0.0078 0.0180 -0.0394 9 TYR I C ? ? 1 +17914 O O . TYR H 9 0.0941 0.9941 1.0477 0.0153 0.0148 -0.0397 9 TYR I O ? ? 1 +17915 N N . ILE H 10 0.0833 0.9927 1.0469 0.0039 0.0156 -0.0416 10 ILE I N ? ? 1 +17916 C CA . ILE H 10 0.0792 1.0012 1.0541 0.0085 0.0091 -0.0448 10 ILE I CA ? ? 1 +17917 C CB . ILE H 10 0.0767 1.0118 1.0650 0.0024 0.0094 -0.0484 10 ILE I CB ? ? 1 +17918 C CG1 . ILE H 10 0.0782 1.0258 1.0801 0.0002 0.0169 -0.0525 10 ILE I CG1 ? ? 1 +17919 C CG2 . ILE H 10 0.0746 1.0191 1.0706 0.0062 0.0006 -0.0506 10 ILE I CG2 ? ? 1 +17920 C CD1 . ILE H 10 0.0765 1.0346 1.0899 -0.0078 0.0193 -0.0557 10 ILE I CD1 ? ? 1 +17921 C C . ILE H 10 0.0750 0.9885 1.0401 0.0132 0.0007 -0.0418 10 ILE I C ? ? 1 +17922 O O . ILE H 10 0.0757 0.9923 1.0429 0.0208 -0.0042 -0.0427 10 ILE I O ? ? 1 +17923 N N . VAL H 11 0.0698 0.9722 1.0240 0.0088 -0.0007 -0.0383 11 VAL I N ? ? 1 +17924 C CA . VAL H 11 0.0670 0.9600 1.0108 0.0126 -0.0078 -0.0352 11 VAL I CA ? ? 1 +17925 C CB . VAL H 11 0.0653 0.9473 0.9985 0.0063 -0.0078 -0.0317 11 VAL I CB ? ? 1 +17926 C CG1 . VAL H 11 0.0670 0.9363 0.9868 0.0100 -0.0132 -0.0277 11 VAL I CG1 ? ? 1 +17927 C CG2 . VAL H 11 0.0623 0.9526 1.0036 0.0008 -0.0094 -0.0339 11 VAL I CG2 ? ? 1 +17928 C C . VAL H 11 0.0676 0.9517 1.0025 0.0196 -0.0085 -0.0330 11 VAL I C ? ? 1 +17929 O O . VAL H 11 0.0676 0.9515 1.0011 0.0261 -0.0146 -0.0328 11 VAL I O ? ? 1 +17930 N N . VAL H 12 0.0675 0.9442 0.9962 0.0185 -0.0023 -0.0315 12 VAL I N ? ? 1 +17931 C CA . VAL H 12 0.0697 0.9366 0.9889 0.0244 -0.0027 -0.0293 12 VAL I CA ? ? 1 +17932 C CB . VAL H 12 0.0722 0.9291 0.9827 0.0214 0.0042 -0.0273 12 VAL I CB ? ? 1 +17933 C CG1 . VAL H 12 0.0775 0.9270 0.9811 0.0279 0.0046 -0.0263 12 VAL I CG1 ? ? 1 +17934 C CG2 . VAL H 12 0.0702 0.9149 0.9689 0.0157 0.0041 -0.0235 12 VAL I CG2 ? ? 1 +17935 C C . VAL H 12 0.0704 0.9471 0.9989 0.0320 -0.0045 -0.0325 12 VAL I C ? ? 1 +17936 O O . VAL H 12 0.0716 0.9442 0.9954 0.0385 -0.0098 -0.0315 12 VAL I O ? ? 1 +17937 N N . THR H 13 0.0688 0.9586 1.0105 0.0312 0.0000 -0.0365 13 THR I N ? ? 1 +17938 C CA . THR H 13 0.0700 0.9710 1.0222 0.0384 -0.0015 -0.0401 13 THR I CA ? ? 1 +17939 C CB . THR H 13 0.0687 0.9852 1.0367 0.0354 0.0042 -0.0446 13 THR I CB ? ? 1 +17940 O OG1 . THR H 13 0.0702 0.9806 1.0334 0.0310 0.0125 -0.0436 13 THR I OG1 ? ? 1 +17941 C CG2 . THR H 13 0.0712 1.0000 1.0508 0.0429 0.0031 -0.0485 13 THR I CG2 ? ? 1 +17942 C C . THR H 13 0.0688 0.9745 1.0242 0.0436 -0.0104 -0.0408 13 THR I C ? ? 1 +17943 O O . THR H 13 0.0723 0.9765 1.0257 0.0516 -0.0140 -0.0408 13 THR I O ? ? 1 +17944 N N . PHE H 14 0.0646 0.9755 1.0243 0.0393 -0.0138 -0.0415 14 PHE I N ? ? 1 +17945 C CA . PHE H 14 0.0653 0.9804 1.0274 0.0437 -0.0224 -0.0422 14 PHE I CA ? ? 1 +17946 C CB . PHE H 14 0.0608 0.9801 1.0264 0.0369 -0.0246 -0.0428 14 PHE I CB ? ? 1 +17947 C CG . PHE H 14 0.0618 0.9849 1.0291 0.0407 -0.0335 -0.0435 14 PHE I CG ? ? 1 +17948 C CD1 . PHE H 14 0.0635 1.0015 1.0441 0.0457 -0.0375 -0.0479 14 PHE I CD1 ? ? 1 +17949 C CD2 . PHE H 14 0.0618 0.9739 1.0174 0.0392 -0.0379 -0.0400 14 PHE I CD2 ? ? 1 +17950 C CE1 . PHE H 14 0.0648 1.0059 1.0462 0.0494 -0.0460 -0.0487 14 PHE I CE1 ? ? 1 +17951 C CE2 . PHE H 14 0.0629 0.9779 1.0191 0.0427 -0.0459 -0.0406 14 PHE I CE2 ? ? 1 +17952 C CZ . PHE H 14 0.0649 0.9939 1.0335 0.0478 -0.0501 -0.0449 14 PHE I CZ ? ? 1 +17953 C C . PHE H 14 0.0694 0.9701 1.0167 0.0494 -0.0275 -0.0382 14 PHE I C ? ? 1 +17954 O O . PHE H 14 0.0721 0.9748 1.0204 0.0574 -0.0322 -0.0391 14 PHE I O ? ? 1 +17955 N N . PHE H 15 0.0695 0.9554 1.0029 0.0454 -0.0263 -0.0338 15 PHE I N ? ? 1 +17956 C CA . PHE H 15 0.0744 0.9463 0.9937 0.0498 -0.0307 -0.0300 15 PHE I CA ? ? 1 +17957 C CB . PHE H 15 0.0725 0.9305 0.9789 0.0436 -0.0292 -0.0257 15 PHE I CB ? ? 1 +17958 C CG . PHE H 15 0.0690 0.9290 0.9761 0.0391 -0.0329 -0.0253 15 PHE I CG ? ? 1 +17959 C CD1 . PHE H 15 0.0711 0.9292 0.9746 0.0430 -0.0401 -0.0245 15 PHE I CD1 ? ? 1 +17960 C CD2 . PHE H 15 0.0650 0.9283 0.9758 0.0311 -0.0291 -0.0259 15 PHE I CD2 ? ? 1 +17961 C CE1 . PHE H 15 0.0684 0.9280 0.9722 0.0388 -0.0435 -0.0243 15 PHE I CE1 ? ? 1 +17962 C CE2 . PHE H 15 0.0623 0.9269 0.9734 0.0270 -0.0325 -0.0257 15 PHE I CE2 ? ? 1 +17963 C CZ . PHE H 15 0.0637 0.9267 0.9715 0.0309 -0.0397 -0.0250 15 PHE I CZ ? ? 1 +17964 C C . PHE H 15 0.0816 0.9478 0.9962 0.0568 -0.0296 -0.0294 15 PHE I C ? ? 1 +17965 O O . PHE H 15 0.0848 0.9452 0.9932 0.0633 -0.0347 -0.0281 15 PHE I O ? ? 1 +17966 N N . VAL H 16 0.0855 0.9528 1.0025 0.0555 -0.0227 -0.0304 16 VAL I N ? ? 1 +17967 C CA . VAL H 16 0.0948 0.9569 1.0077 0.0620 -0.0211 -0.0303 16 VAL I CA ? ? 1 +17968 C CB . VAL H 16 0.0972 0.9581 1.0103 0.0588 -0.0127 -0.0308 16 VAL I CB ? ? 1 +17969 C CG1 . VAL H 16 0.1058 0.9595 1.0129 0.0656 -0.0114 -0.0304 16 VAL I CG1 ? ? 1 +17970 C CG2 . VAL H 16 0.0945 0.9449 0.9981 0.0509 -0.0091 -0.0276 16 VAL I CG2 ? ? 1 +17971 C C . VAL H 16 0.1003 0.9736 1.0232 0.0701 -0.0249 -0.0338 16 VAL I C ? ? 1 +17972 O O . VAL H 16 0.1073 0.9741 1.0241 0.0775 -0.0278 -0.0328 16 VAL I O ? ? 1 +17973 N N . LEU H 17 0.0983 0.9883 1.0368 0.0689 -0.0250 -0.0379 17 LEU I N ? ? 1 +17974 C CA . LEU H 17 0.1030 1.0054 1.0525 0.0766 -0.0289 -0.0417 17 LEU I CA ? ? 1 +17975 C CB . LEU H 17 0.0991 1.0209 1.0670 0.0732 -0.0276 -0.0465 17 LEU I CB ? ? 1 +17976 C CG . LEU H 17 0.0981 1.0272 1.0745 0.0688 -0.0186 -0.0489 17 LEU I CG ? ? 1 +17977 C CD1 . LEU H 17 0.0947 1.0431 1.0896 0.0654 -0.0180 -0.0538 17 LEU I CD1 ? ? 1 +17978 C CD2 . LEU H 17 0.1040 1.0326 1.0807 0.0756 -0.0152 -0.0500 17 LEU I CD2 ? ? 1 +17979 C C . LEU H 17 0.1071 1.0052 1.0508 0.0822 -0.0378 -0.0402 17 LEU I C ? ? 1 +17980 O O . LEU H 17 0.1123 1.0110 1.0561 0.0909 -0.0414 -0.0411 17 LEU I O ? ? 1 +17981 N N . LEU H 18 0.1052 0.9983 1.0431 0.0775 -0.0411 -0.0379 18 LEU I N ? ? 1 +17982 C CA . LEU H 18 0.1103 0.9974 1.0407 0.0821 -0.0491 -0.0360 18 LEU I CA ? ? 1 +17983 C CB . LEU H 18 0.1063 0.9891 1.0316 0.0752 -0.0512 -0.0338 18 LEU I CB ? ? 1 +17984 C CG . LEU H 18 0.1011 0.9985 1.0397 0.0699 -0.0519 -0.0373 18 LEU I CG ? ? 1 +17985 C CD1 . LEU H 18 0.0978 0.9883 1.0289 0.0636 -0.0538 -0.0345 18 LEU I CD1 ? ? 1 +17986 C CD2 . LEU H 18 0.1031 1.0149 1.0537 0.0762 -0.0580 -0.0415 18 LEU I CD2 ? ? 1 +17987 C C . LEU H 18 0.1190 0.9895 1.0341 0.0875 -0.0501 -0.0323 18 LEU I C ? ? 1 +17988 O O . LEU H 18 0.1251 0.9928 1.0366 0.0951 -0.0558 -0.0320 18 LEU I O ? ? 1 +17989 N N . PHE H 19 0.1207 0.9797 1.0266 0.0835 -0.0445 -0.0294 19 PHE I N ? ? 1 +17990 C CA . PHE H 19 0.1295 0.9723 1.0210 0.0876 -0.0446 -0.0259 19 PHE I CA ? ? 1 +17991 C CB . PHE H 19 0.1268 0.9590 1.0099 0.0811 -0.0381 -0.0232 19 PHE I CB ? ? 1 +17992 C CG . PHE H 19 0.1340 0.9493 1.0023 0.0842 -0.0379 -0.0198 19 PHE I CG ? ? 1 +17993 C CD1 . PHE H 19 0.1359 0.9382 0.9916 0.0828 -0.0411 -0.0158 19 PHE I CD1 ? ? 1 +17994 C CD2 . PHE H 19 0.1396 0.9517 1.0063 0.0884 -0.0343 -0.0205 19 PHE I CD2 ? ? 1 +17995 C CE1 . PHE H 19 0.1423 0.9290 0.9846 0.0852 -0.0407 -0.0128 19 PHE I CE1 ? ? 1 +17996 C CE2 . PHE H 19 0.1464 0.9424 0.9993 0.0910 -0.0342 -0.0175 19 PHE I CE2 ? ? 1 +17997 C CZ . PHE H 19 0.1478 0.9313 0.9887 0.0892 -0.0374 -0.0137 19 PHE I CZ ? ? 1 +17998 C C . PHE H 19 0.1376 0.9833 1.0324 0.0965 -0.0449 -0.0281 19 PHE I C ? ? 1 +17999 O O . PHE H 19 0.1430 0.9819 1.0310 0.1037 -0.0497 -0.0270 19 PHE I O ? ? 1 +18000 N N . VAL H 20 0.1394 0.9950 1.0445 0.0959 -0.0395 -0.0313 20 VAL I N ? ? 1 +18001 C CA . VAL H 20 0.1504 1.0084 1.0586 0.1038 -0.0384 -0.0335 20 VAL I CA ? ? 1 +18002 C CB . VAL H 20 0.1498 1.0172 1.0681 0.1008 -0.0307 -0.0364 20 VAL I CB ? ? 1 +18003 C CG1 . VAL H 20 0.1566 1.0297 1.0810 0.1094 -0.0297 -0.0395 20 VAL I CG1 ? ? 1 +18004 C CG2 . VAL H 20 0.1498 1.0049 1.0578 0.0942 -0.0244 -0.0334 20 VAL I CG2 ? ? 1 +18005 C C . VAL H 20 0.1555 1.0235 1.0717 0.1121 -0.0452 -0.0362 20 VAL I C ? ? 1 +18006 O O . VAL H 20 0.1630 1.0250 1.0737 0.1204 -0.0480 -0.0358 20 VAL I O ? ? 1 +18007 N N . PHE H 21 0.1528 1.0355 1.0814 0.1098 -0.0480 -0.0391 21 PHE I N ? ? 1 +18008 C CA . PHE H 21 0.1600 1.0538 1.0974 0.1175 -0.0546 -0.0422 21 PHE I CA ? ? 1 +18009 C CB . PHE H 21 0.1571 1.0706 1.1122 0.1137 -0.0553 -0.0467 21 PHE I CB ? ? 1 +18010 C CG . PHE H 21 0.1590 1.0870 1.1292 0.1127 -0.0490 -0.0510 21 PHE I CG ? ? 1 +18011 C CD1 . PHE H 21 0.1703 1.1079 1.1496 0.1214 -0.0500 -0.0546 21 PHE I CD1 ? ? 1 +18012 C CD2 . PHE H 21 0.1537 1.0858 1.1290 0.1033 -0.0420 -0.0515 21 PHE I CD2 ? ? 1 +18013 C CE1 . PHE H 21 0.1706 1.1224 1.1645 0.1204 -0.0438 -0.0588 21 PHE I CE1 ? ? 1 +18014 C CE2 . PHE H 21 0.1564 1.1012 1.1450 0.1022 -0.0357 -0.0554 21 PHE I CE2 ? ? 1 +18015 C CZ . PHE H 21 0.1640 1.1191 1.1623 0.1106 -0.0365 -0.0591 21 PHE I CZ ? ? 1 +18016 C C . PHE H 21 0.1641 1.0464 1.0889 0.1217 -0.0622 -0.0390 21 PHE I C ? ? 1 +18017 O O . PHE H 21 0.1697 1.0534 1.0947 0.1306 -0.0678 -0.0401 21 PHE I O ? ? 1 +18018 N N . GLY H 22 0.1600 1.0305 1.0736 0.1153 -0.0622 -0.0350 22 GLY I N ? ? 1 +18019 C CA . GLY H 22 0.1646 1.0224 1.0648 0.1182 -0.0683 -0.0315 22 GLY I CA ? ? 1 +18020 C C . GLY H 22 0.1758 1.0194 1.0636 0.1259 -0.0692 -0.0291 22 GLY I C ? ? 1 +18021 O O . GLY H 22 0.1826 1.0231 1.0660 0.1335 -0.0755 -0.0288 22 GLY I O ? ? 1 +18022 N N . PHE H 23 0.1787 1.0134 1.0606 0.1239 -0.0630 -0.0275 23 PHE I N ? ? 1 +18023 C CA . PHE H 23 0.1916 1.0122 1.0616 0.1305 -0.0631 -0.0254 23 PHE I CA ? ? 1 +18024 C CB . PHE H 23 0.1895 0.9979 1.0505 0.1252 -0.0563 -0.0228 23 PHE I CB ? ? 1 +18025 C CG . PHE H 23 0.1879 0.9804 1.0341 0.1202 -0.0570 -0.0180 23 PHE I CG ? ? 1 +18026 C CD1 . PHE H 23 0.1960 0.9751 1.0295 0.1251 -0.0617 -0.0150 23 PHE I CD1 ? ? 1 +18027 C CD2 . PHE H 23 0.1791 0.9696 1.0239 0.1107 -0.0529 -0.0164 23 PHE I CD2 ? ? 1 +18028 C CE1 . PHE H 23 0.1953 0.9603 1.0158 0.1203 -0.0620 -0.0108 23 PHE I CE1 ? ? 1 +18029 C CE2 . PHE H 23 0.1793 0.9559 1.0113 0.1063 -0.0535 -0.0122 23 PHE I CE2 ? ? 1 +18030 C CZ . PHE H 23 0.1869 0.9512 1.0072 0.1110 -0.0580 -0.0095 23 PHE I CZ ? ? 1 +18031 C C . PHE H 23 0.2033 1.0317 1.0808 0.1400 -0.0643 -0.0289 23 PHE I C ? ? 1 +18032 O O . PHE H 23 0.2164 1.0340 1.0843 0.1474 -0.0668 -0.0274 23 PHE I O ? ? 1 +18033 N N . LEU H 24 0.2033 1.0503 1.0979 0.1400 -0.0626 -0.0335 24 LEU I N ? ? 1 +18034 C CA . LEU H 24 0.2125 1.0697 1.1165 0.1492 -0.0642 -0.0374 24 LEU I CA ? ? 1 +18035 C CB . LEU H 24 0.2087 1.0846 1.1308 0.1461 -0.0590 -0.0421 24 LEU I CB ? ? 1 +18036 C CG . LEU H 24 0.2104 1.0828 1.1316 0.1417 -0.0500 -0.0419 24 LEU I CG ? ? 1 +18037 C CD1 . LEU H 24 0.2053 1.0976 1.1454 0.1385 -0.0452 -0.0468 24 LEU I CD1 ? ? 1 +18038 C CD2 . LEU H 24 0.2213 1.0824 1.1335 0.1494 -0.0485 -0.0411 24 LEU I CD2 ? ? 1 +18039 C C . LEU H 24 0.2196 1.0835 1.1274 0.1565 -0.0729 -0.0390 24 LEU I C ? ? 1 +18040 O O . LEU H 24 0.2314 1.1028 1.1458 0.1654 -0.0755 -0.0421 24 LEU I O ? ? 1 +18041 N N . SER H 25 0.2166 1.0789 1.1209 0.1527 -0.0775 -0.0373 25 SER I N ? ? 1 +18042 C CA . SER H 25 0.2191 1.0884 1.1270 0.1585 -0.0859 -0.0390 25 SER I CA ? ? 1 +18043 C CB . SER H 25 0.2093 1.0865 1.1229 0.1506 -0.0879 -0.0394 25 SER I CB ? ? 1 +18044 O OG . SER H 25 0.1985 1.0916 1.1279 0.1441 -0.0828 -0.0430 25 SER I OG ? ? 1 +18045 C C . SER H 25 0.2304 1.0830 1.1216 0.1658 -0.0916 -0.0354 25 SER I C ? ? 1 +18046 O O . SER H 25 0.2301 1.0781 1.1148 0.1652 -0.0969 -0.0335 25 SER I O ? ? 1 +18047 N N . GLY H 26 0.2389 1.0821 1.1231 0.1728 -0.0902 -0.0346 26 GLY I N ? ? 1 +18048 C CA . GLY H 26 0.2527 1.0802 1.1215 0.1808 -0.0954 -0.0316 26 GLY I CA ? ? 1 +18049 C C . GLY H 26 0.2539 1.0619 1.1049 0.1755 -0.0949 -0.0260 26 GLY I C ? ? 1 +18050 O O . GLY H 26 0.2613 1.0597 1.1014 0.1790 -0.1006 -0.0235 26 GLY I O ? ? 1 +18051 N N . ASP H 27 0.2458 1.0478 1.0935 0.1670 -0.0880 -0.0240 27 ASP I N ? ? 1 +18052 C CA . ASP H 27 0.2460 1.0312 1.0786 0.1609 -0.0870 -0.0190 27 ASP I CA ? ? 1 +18053 C CB . ASP H 27 0.2378 1.0206 1.0705 0.1513 -0.0793 -0.0179 27 ASP I CB ? ? 1 +18054 C CG . ASP H 27 0.2346 1.0047 1.0553 0.1441 -0.0790 -0.0135 27 ASP I CG ? ? 1 +18055 O OD1 . ASP H 27 0.2294 1.0051 1.0532 0.1402 -0.0819 -0.0134 27 ASP I OD1 ? ? 1 +18056 O OD2 . ASP H 27 0.2411 0.9954 1.0493 0.1426 -0.0760 -0.0102 27 ASP I OD2 ? ? 1 +18057 C C . ASP H 27 0.2585 1.0238 1.0735 0.1669 -0.0891 -0.0153 27 ASP I C ? ? 1 +18058 O O . ASP H 27 0.2641 1.0179 1.0672 0.1655 -0.0921 -0.0118 27 ASP I O ? ? 1 +18059 N N . PRO H 28 0.2647 1.0242 1.0764 0.1735 -0.0873 -0.0159 28 PRO I N ? ? 1 +18060 C CA . PRO H 28 0.2794 1.0195 1.0741 0.1795 -0.0894 -0.0125 28 PRO I CA ? ? 1 +18061 C CB . PRO H 28 0.2840 1.0246 1.0813 0.1870 -0.0872 -0.0148 28 PRO I CB ? ? 1 +18062 C CG . PRO H 28 0.2724 1.0263 1.0833 0.1807 -0.0809 -0.0177 28 PRO I CG ? ? 1 +18063 C CD . PRO H 28 0.2616 1.0319 1.0851 0.1754 -0.0829 -0.0196 28 PRO I CD ? ? 1 +18064 C C . PRO H 28 0.2920 1.0283 1.0802 0.1858 -0.0972 -0.0114 28 PRO I C ? ? 1 +18065 O O . PRO H 28 0.3056 1.0243 1.0777 0.1866 -0.0987 -0.0073 28 PRO I O ? ? 1 +18066 N N . ALA H 29 0.2916 1.0447 1.0924 0.1899 -0.1021 -0.0150 29 ALA I N ? ? 1 +18067 C CA . ALA H 29 0.3012 1.0525 1.0970 0.1963 -0.1101 -0.0145 29 ALA I CA ? ? 1 +18068 C CB . ALA H 29 0.2985 1.0701 1.1107 0.2029 -0.1148 -0.0198 29 ALA I CB ? ? 1 +18069 C C . ALA H 29 0.3000 1.0472 1.0897 0.1895 -0.1123 -0.0117 29 ALA I C ? ? 1 +18070 O O . ALA H 29 0.3055 1.0452 1.0856 0.1942 -0.1182 -0.0099 29 ALA I O ? ? 1 +18071 N N . ARG H 30 0.2947 1.0467 1.0896 0.1788 -0.1076 -0.0114 30 ARG I N ? ? 1 +18072 C CA . ARG H 30 0.2961 1.0454 1.0865 0.1717 -0.1090 -0.0090 30 ARG I CA ? ? 1 +18073 C CB . ARG H 30 0.2835 1.0466 1.0870 0.1618 -0.1049 -0.0110 30 ARG I CB ? ? 1 +18074 C CG . ARG H 30 0.2824 1.0676 1.1048 0.1638 -0.1073 -0.0164 30 ARG I CG ? ? 1 +18075 C CD . ARG H 30 0.2726 1.0696 1.1067 0.1536 -0.1027 -0.0180 30 ARG I CD ? ? 1 +18076 N NE . ARG H 30 0.2693 1.0868 1.1222 0.1549 -0.1027 -0.0234 30 ARG I NE ? ? 1 +18077 C CZ . ARG H 30 0.2706 1.1017 1.1333 0.1583 -0.1086 -0.0268 30 ARG I CZ ? ? 1 +18078 N NH1 . ARG H 30 0.2758 1.1040 1.1328 0.1580 -0.1143 -0.0255 30 ARG I NH1 ? ? 1 +18079 N NH2 . ARG H 30 0.2677 1.1161 1.1467 0.1616 -0.1087 -0.0317 30 ARG I NH2 ? ? 1 +18080 C C . ARG H 30 0.3067 1.0343 1.0785 0.1685 -0.1067 -0.0036 30 ARG I C ? ? 1 +18081 O O . ARG H 30 0.3018 1.0252 1.0714 0.1596 -0.1015 -0.0016 30 ARG I O ? ? 1 +18082 N N . ASN H 31 0.3273 1.0411 1.0856 0.1760 -0.1107 -0.0013 31 ASN I N ? ? 1 +18083 C CA . ASN H 31 0.3423 1.0349 1.0823 0.1740 -0.1090 0.0037 31 ASN I CA ? ? 1 +18084 C CB . ASN H 31 0.3482 1.0293 1.0819 0.1755 -0.1040 0.0049 31 ASN I CB ? ? 1 +18085 C CG . ASN H 31 0.3623 1.0391 1.0923 0.1870 -0.1072 0.0038 31 ASN I CG ? ? 1 +18086 O OD1 . ASN H 31 0.3626 1.0509 1.1039 0.1916 -0.1069 0.0001 31 ASN I OD1 ? ? 1 +18087 N ND2 . ASN H 31 0.3760 1.0362 1.0902 0.1920 -0.1102 0.0070 31 ASN I ND2 ? ? 1 +18088 C C . ASN H 31 0.3621 1.0461 1.0909 0.1812 -0.1158 0.0055 31 ASN I C ? ? 1 +18089 O O . ASN H 31 0.3680 1.0617 1.1030 0.1888 -0.1215 0.0026 31 ASN I O ? ? 1 +18090 N N . PRO H 32 0.3805 1.0467 1.0928 0.1790 -0.1156 0.0101 32 PRO I N ? ? 1 +18091 C CA . PRO H 32 0.4020 1.0599 1.1030 0.1851 -0.1219 0.0119 32 PRO I CA ? ? 1 +18092 C CB . PRO H 32 0.3978 1.0421 1.0865 0.1772 -0.1192 0.0164 32 PRO I CB ? ? 1 +18093 C CG . PRO H 32 0.3901 1.0278 1.0776 0.1706 -0.1116 0.0178 32 PRO I CG ? ? 1 +18094 C CD . PRO H 32 0.3778 1.0320 1.0822 0.1701 -0.1093 0.0136 32 PRO I CD ? ? 1 +18095 C C . PRO H 32 0.4391 1.0843 1.1288 0.1960 -0.1250 0.0129 32 PRO I C ? ? 1 +18096 O O . PRO H 32 0.4539 1.0936 1.1351 0.2022 -0.1309 0.0139 32 PRO I O ? ? 1 +18097 N N . LYS H 33 0.4701 1.1101 1.1590 0.1984 -0.1212 0.0127 33 LYS I N ? ? 1 +18098 C CA . LYS H 33 0.5209 1.1480 1.1988 0.2087 -0.1235 0.0136 33 LYS I CA ? ? 1 +18099 C CB . LYS H 33 0.5279 1.1360 1.1933 0.2055 -0.1174 0.0169 33 LYS I CB ? ? 1 +18100 C CG . LYS H 33 0.5307 1.1227 1.1817 0.1982 -0.1149 0.0217 33 LYS I CG ? ? 1 +18101 C CD . LYS H 33 0.5522 1.1311 1.1881 0.2041 -0.1201 0.0246 33 LYS I CD ? ? 1 +18102 C CE . LYS H 33 0.5523 1.1188 1.1766 0.1961 -0.1178 0.0289 33 LYS I CE ? ? 1 +18103 N NZ . LYS H 33 0.5636 1.1222 1.1762 0.2014 -0.1235 0.0309 33 LYS I NZ ? ? 1 +18104 C C . LYS H 33 0.5657 1.2066 1.2560 0.2175 -0.1263 0.0089 33 LYS I C ? ? 1 +18105 O O . LYS H 33 0.5801 1.2339 1.2786 0.2227 -0.1323 0.0061 33 LYS I O ? ? 1 +18106 N N . ARG H 34 0.6290 1.2675 1.3211 0.2194 -0.1221 0.0080 34 ARG I N ? ? 1 +18107 C CA . ARG H 34 0.7173 1.3680 1.4207 0.2280 -0.1240 0.0036 34 ARG I CA ? ? 1 +18108 C CB . ARG H 34 0.7920 1.4310 1.4894 0.2308 -0.1191 0.0042 34 ARG I CB ? ? 1 +18109 C CG . ARG H 34 0.8844 1.4985 1.5602 0.2360 -0.1202 0.0084 34 ARG I CG ? ? 1 +18110 C CD . ARG H 34 0.9699 1.5721 1.6395 0.2383 -0.1154 0.0089 34 ARG I CD ? ? 1 +18111 N NE . ARG H 34 1.0764 1.6552 1.7257 0.2442 -0.1170 0.0126 34 ARG I NE ? ? 1 +18112 C CZ . ARG H 34 1.1687 1.7335 1.8089 0.2487 -0.1144 0.0133 34 ARG I CZ ? ? 1 +18113 N NH1 . ARG H 34 1.1997 1.7667 1.8458 0.2449 -0.1085 0.0118 34 ARG I NH1 ? ? 1 +18114 N NH2 . ARG H 34 1.2053 1.7524 1.8294 0.2573 -0.1178 0.0157 34 ARG I NH2 ? ? 1 +18115 C C . ARG H 34 0.7366 1.4120 1.4619 0.2236 -0.1228 -0.0010 34 ARG I C ? ? 1 +18116 O O . ARG H 34 0.7433 1.4228 1.4748 0.2148 -0.1165 -0.0013 34 ARG I O ? ? 1 +18117 N N . LYS H 35 0.7832 1.4746 1.5198 0.2297 -0.1288 -0.0047 35 LYS I N ? ? 1 +18118 C CA . LYS H 35 0.8166 1.5320 1.5747 0.2270 -0.1279 -0.0097 35 LYS I CA ? ? 1 +18119 C CB . LYS H 35 0.8287 1.5590 1.5958 0.2317 -0.1358 -0.0128 35 LYS I CB ? ? 1 +18120 C CG . LYS H 35 0.8373 1.5687 1.6025 0.2239 -0.1378 -0.0111 35 LYS I CG ? ? 1 +18121 C CD . LYS H 35 0.8549 1.5646 1.5988 0.2246 -0.1400 -0.0058 35 LYS I CD ? ? 1 +18122 C CE . LYS H 35 0.8435 1.5540 1.5858 0.2157 -0.1404 -0.0041 35 LYS I CE ? ? 1 +18123 N NZ . LYS H 35 0.8589 1.5484 1.5805 0.2165 -0.1422 0.0010 35 LYS I NZ ? ? 1 +18124 C C . LYS H 35 0.8422 1.5645 1.6094 0.2322 -0.1248 -0.0130 35 LYS I C ? ? 1 +18125 O O . LYS H 35 0.8597 1.5906 1.6373 0.2257 -0.1186 -0.0147 35 LYS I O ? ? 1 +18126 N N . ASP H 36 0.8598 1.5773 1.6223 0.2440 -0.1289 -0.0138 36 ASP I N ? ? 1 +18127 C CA . ASP H 36 0.8964 1.6215 1.6679 0.2507 -0.1270 -0.0174 36 ASP I CA ? ? 1 +18128 C CB . ASP H 36 0.9575 1.6748 1.7205 0.2648 -0.1335 -0.0176 36 ASP I CB ? ? 1 +18129 C CG . ASP H 36 0.9962 1.6866 1.7353 0.2673 -0.1344 -0.0121 36 ASP I CG ? ? 1 +18130 O OD1 . ASP H 36 1.0308 1.7116 1.7599 0.2607 -0.1347 -0.0084 36 ASP I OD1 ? ? 1 +18131 O OD2 . ASP H 36 1.0106 1.6892 1.7408 0.2759 -0.1345 -0.0115 36 ASP I OD2 ? ? 1 +18132 C C . ASP H 36 0.8751 1.5909 1.6428 0.2459 -0.1185 -0.0161 36 ASP I C ? ? 1 +18133 O O . ASP H 36 0.8652 1.5635 1.6191 0.2509 -0.1174 -0.0138 36 ASP I O ? ? 1 +18134 N N . LEU H 37 0.8449 1.5725 1.6248 0.2364 -0.1127 -0.0177 37 LEU I N ? ? 1 +18135 C CA . LEU H 37 0.8205 1.5412 1.5980 0.2310 -0.1046 -0.0168 37 LEU I CA ? ? 1 +18136 C CB . LEU H 37 0.7758 1.4883 1.5466 0.2185 -0.1005 -0.0131 37 LEU I CB ? ? 1 +18137 C CG . LEU H 37 0.7281 1.4172 1.4780 0.2176 -0.1016 -0.0077 37 LEU I CG ? ? 1 +18138 C CD1 . LEU H 37 0.7068 1.3911 1.4531 0.2055 -0.0975 -0.0048 37 LEU I CD1 ? ? 1 +18139 C CD2 . LEU H 37 0.7238 1.3951 1.4608 0.2233 -0.0993 -0.0062 37 LEU I CD2 ? ? 1 +18140 C C . LEU H 37 0.8329 1.5720 1.6285 0.2307 -0.1002 -0.0217 37 LEU I C ? ? 1 +18141 O O . LEU H 37 0.8137 1.5619 1.6184 0.2213 -0.0952 -0.0226 37 LEU I O ? ? 1 +18142 N N . GLU H 38 0.8685 1.6117 1.6683 0.2413 -0.1019 -0.0246 38 GLU I N ? ? 1 +18143 C CA . GLU H 38 0.8655 1.6279 1.6835 0.2433 -0.0988 -0.0298 38 GLU I CA ? ? 1 +18144 C CB . GLU H 38 0.8633 1.6473 1.6977 0.2469 -0.1048 -0.0339 38 GLU I CB ? ? 1 +18145 C CG . GLU H 38 0.8591 1.6628 1.7118 0.2529 -0.1038 -0.0397 38 GLU I CG ? ? 1 +18146 C CD . GLU H 38 0.8503 1.6764 1.7204 0.2544 -0.1093 -0.0439 38 GLU I CD ? ? 1 +18147 O OE1 . GLU H 38 0.8348 1.6622 1.7039 0.2486 -0.1126 -0.0424 38 GLU I OE1 ? ? 1 +18148 O OE2 . GLU H 38 0.8687 1.7107 1.7532 0.2616 -0.1104 -0.0488 38 GLU I OE2 ? ? 1 +18149 C C . GLU H 38 0.8897 1.6447 1.7032 0.2532 -0.0974 -0.0309 38 GLU I C ? ? 1 +18150 O O . GLU H 38 0.9335 1.6675 1.7293 0.2566 -0.0978 -0.0273 38 GLU I O ? ? 1 +18151 O OXT . GLU H 38 0.8739 1.6434 1.7012 0.2578 -0.0956 -0.0354 38 GLU I OXT ? ? 1 +18152 N N . SER I 1 1.2908 1.2398 1.6095 -0.0658 0.0369 0.0218 2 SER J N ? ? 1 +18153 C CA . SER I 1 1.3122 1.2516 1.6266 -0.0727 0.0417 0.0253 2 SER J CA ? ? 1 +18154 C CB . SER I 1 1.3251 1.2347 1.6225 -0.0769 0.0457 0.0251 2 SER J CB ? ? 1 +18155 O OG . SER I 1 1.3010 1.1945 1.5849 -0.0671 0.0443 0.0245 2 SER J OG ? ? 1 +18156 C C . SER I 1 1.3282 1.2719 1.6404 -0.0640 0.0417 0.0309 2 SER J C ? ? 1 +18157 O O . SER I 1 1.2624 1.2239 1.5861 -0.0667 0.0416 0.0327 2 SER J O ? ? 1 +18158 N N . GLU I 2 1.3936 1.3216 1.6913 -0.0531 0.0413 0.0334 3 GLU J N ? ? 1 +18159 C CA . GLU I 2 1.3853 1.3176 1.6804 -0.0427 0.0401 0.0382 3 GLU J CA ? ? 1 +18160 C CB . GLU I 2 1.4167 1.3235 1.6916 -0.0333 0.0412 0.0410 3 GLU J CB ? ? 1 +18161 C CG . GLU I 2 1.4102 1.3193 1.6811 -0.0235 0.0404 0.0462 3 GLU J CG ? ? 1 +18162 C CD . GLU I 2 1.4270 1.3170 1.6809 -0.0109 0.0394 0.0484 3 GLU J CD ? ? 1 +18163 O OE1 . GLU I 2 1.4402 1.3097 1.6820 -0.0105 0.0407 0.0466 3 GLU J OE1 ? ? 1 +18164 O OE2 . GLU I 2 1.3991 1.2949 1.6519 -0.0011 0.0373 0.0517 3 GLU J OE2 ? ? 1 +18165 C C . GLU I 2 1.3170 1.2731 1.6247 -0.0344 0.0348 0.0368 3 GLU J C ? ? 1 +18166 O O . GLU I 2 1.2916 1.2483 1.5993 -0.0297 0.0321 0.0335 3 GLU J O ? ? 1 +18167 N N . GLY I 3 1.2672 1.2422 1.5851 -0.0327 0.0336 0.0394 4 GLY J N ? ? 1 +18168 C CA . GLY I 3 1.2290 1.2271 1.5593 -0.0253 0.0289 0.0384 4 GLY J CA ? ? 1 +18169 C C . GLY I 3 1.2104 1.2038 1.5325 -0.0109 0.0263 0.0402 4 GLY J C ? ? 1 +18170 O O . GLY I 3 1.2369 1.2185 1.5482 -0.0055 0.0275 0.0443 4 GLY J O ? ? 1 +18171 N N . GLY I 4 1.1769 1.1805 1.5047 -0.0048 0.0227 0.0371 5 GLY J N ? ? 1 +18172 C CA . GLY I 4 1.1569 1.1566 1.4779 0.0088 0.0202 0.0379 5 GLY J CA ? ? 1 +18173 C C . GLY I 4 1.1444 1.1362 1.4608 0.0124 0.0191 0.0338 5 GLY J C ? ? 1 +18174 O O . GLY I 4 1.1442 1.1390 1.4595 0.0234 0.0164 0.0334 5 GLY J O ? ? 1 +18175 N N . ARG I 5 1.1323 1.1142 1.4463 0.0032 0.0210 0.0306 6 ARG J N ? ? 1 +18176 C CA . ARG I 5 1.1299 1.1014 1.4378 0.0056 0.0204 0.0266 6 ARG J CA ? ? 1 +18177 C CB . ARG I 5 1.1631 1.1247 1.4694 -0.0070 0.0228 0.0235 6 ARG J CB ? ? 1 +18178 C CG . ARG I 5 1.2135 1.1523 1.5070 -0.0132 0.0271 0.0260 6 ARG J CG ? ? 1 +18179 C CD . ARG I 5 1.2673 1.1792 1.5440 -0.0117 0.0288 0.0244 6 ARG J CD ? ? 1 +18180 N NE . ARG I 5 1.3121 1.2041 1.5792 -0.0214 0.0332 0.0255 6 ARG J NE ? ? 1 +18181 C CZ . ARG I 5 1.3432 1.2231 1.6012 -0.0212 0.0362 0.0302 6 ARG J CZ ? ? 1 +18182 N NH1 . ARG I 5 1.3438 1.2243 1.5974 -0.0102 0.0350 0.0343 6 ARG J NH1 ? ? 1 +18183 N NH2 . ARG I 5 1.3607 1.2269 1.6136 -0.0323 0.0406 0.0308 6 ARG J NH2 ? ? 1 +18184 C C . ARG I 5 1.0803 1.0713 1.3993 0.0114 0.0167 0.0235 6 ARG J C ? ? 1 +18185 O O . ARG I 5 1.1041 1.0890 1.4169 0.0208 0.0154 0.0222 6 ARG J O ? ? 1 +18186 N N . ILE I 6 1.0096 1.0236 1.3448 0.0058 0.0152 0.0221 7 ILE J N ? ? 1 +18187 C CA . ILE I 6 0.9535 0.9861 1.2996 0.0100 0.0121 0.0189 7 ILE J CA ? ? 1 +18188 C CB . ILE I 6 0.9340 0.9799 1.2919 -0.0006 0.0114 0.0152 7 ILE J CB ? ? 1 +18189 C CG1 . ILE I 6 0.9494 0.9776 1.2995 -0.0099 0.0135 0.0124 7 ILE J CG1 ? ? 1 +18190 C CG2 . ILE I 6 0.9152 0.9780 1.2822 0.0043 0.0084 0.0120 7 ILE J CG2 ? ? 1 +18191 C CD1 . ILE I 6 0.9346 0.9748 1.2959 -0.0213 0.0132 0.0097 7 ILE J CD1 ? ? 1 +18192 C C . ILE I 6 0.9119 0.9633 1.2669 0.0178 0.0099 0.0217 7 ILE J C ? ? 1 +18193 O O . ILE I 6 0.8908 0.9550 1.2546 0.0133 0.0099 0.0239 7 ILE J O ? ? 1 +18194 N N . PRO I 7 0.8898 0.9440 1.2434 0.0296 0.0079 0.0215 8 PRO J N ? ? 1 +18195 C CA . PRO I 7 0.8594 0.9306 1.2210 0.0373 0.0058 0.0240 8 PRO J CA ? ? 1 +18196 C CB . PRO I 7 0.8639 0.9346 1.2226 0.0491 0.0041 0.0222 8 PRO J CB ? ? 1 +18197 C CG . PRO I 7 0.8895 0.9364 1.2337 0.0491 0.0058 0.0202 8 PRO J CG ? ? 1 +18198 C CD . PRO I 7 0.8981 0.9399 1.2428 0.0359 0.0077 0.0185 8 PRO J CD ? ? 1 +18199 C C . PRO I 7 0.8213 0.9176 1.2001 0.0318 0.0043 0.0232 8 PRO J C ? ? 1 +18200 O O . PRO I 7 0.8171 0.9214 1.2026 0.0271 0.0038 0.0195 8 PRO J O ? ? 1 +18201 N N . LEU I 8 0.7981 0.9063 1.1833 0.0327 0.0037 0.0266 9 LEU J N ? ? 1 +18202 C CA . LEU I 8 0.7649 0.8961 1.1657 0.0276 0.0024 0.0263 9 LEU J CA ? ? 1 +18203 C CB . LEU I 8 0.7604 0.8984 1.1641 0.0289 0.0022 0.0306 9 LEU J CB ? ? 1 +18204 C CG . LEU I 8 0.7425 0.9021 1.1610 0.0229 0.0014 0.0309 9 LEU J CG ? ? 1 +18205 C CD1 . LEU I 8 0.7390 0.9000 1.1622 0.0107 0.0028 0.0286 9 LEU J CD1 ? ? 1 +18206 C CD2 . LEU I 8 0.7429 0.9043 1.1611 0.0236 0.0018 0.0353 9 LEU J CD2 ? ? 1 +18207 C C . LEU I 8 0.7343 0.8835 1.1455 0.0326 0.0000 0.0234 9 LEU J C ? ? 1 +18208 O O . LEU I 8 0.7146 0.8794 1.1371 0.0268 -0.0007 0.0216 9 LEU J O ? ? 1 +18209 N N . TRP I 9 0.7291 0.8758 1.1362 0.0434 -0.0011 0.0230 10 TRP J N ? ? 1 +18210 C CA . TRP I 9 0.7068 0.8700 1.1234 0.0482 -0.0029 0.0203 10 TRP J CA ? ? 1 +18211 C CB . TRP I 9 0.7069 0.8688 1.1198 0.0612 -0.0041 0.0207 10 TRP J CB ? ? 1 +18212 C CG . TRP I 9 0.7211 0.8631 1.1207 0.0665 -0.0031 0.0191 10 TRP J CG ? ? 1 +18213 C CD1 . TRP I 9 0.7388 0.8597 1.1243 0.0695 -0.0021 0.0211 10 TRP J CD1 ? ? 1 +18214 N NE1 . TRP I 9 0.7519 0.8587 1.1279 0.0744 -0.0014 0.0186 10 TRP J NE1 ? ? 1 +18215 C CE2 . TRP I 9 0.7393 0.8582 1.1233 0.0746 -0.0020 0.0148 10 TRP J CE2 ? ? 1 +18216 C CZ2 . TRP I 9 0.7463 0.8581 1.1252 0.0788 -0.0015 0.0112 10 TRP J CZ2 ? ? 1 +18217 C CH2 . TRP I 9 0.7321 0.8595 1.1209 0.0779 -0.0020 0.0079 10 TRP J CH2 ? ? 1 +18218 C CZ3 . TRP I 9 0.7095 0.8587 1.1128 0.0730 -0.0031 0.0082 10 TRP J CZ3 ? ? 1 +18219 C CE3 . TRP I 9 0.7016 0.8579 1.1101 0.0689 -0.0037 0.0117 10 TRP J CE3 ? ? 1 +18220 C CD2 . TRP I 9 0.7186 0.8597 1.1174 0.0697 -0.0031 0.0151 10 TRP J CD2 ? ? 1 +18221 C C . TRP I 9 0.7046 0.8662 1.1216 0.0434 -0.0025 0.0159 10 TRP J C ? ? 1 +18222 O O . TRP I 9 0.6908 0.8687 1.1181 0.0428 -0.0036 0.0137 10 TRP J O ? ? 1 +18223 N N . ILE I 10 0.7214 0.8629 1.1270 0.0399 -0.0008 0.0146 11 ILE J N ? ? 1 +18224 C CA . ILE I 10 0.7246 0.8632 1.1297 0.0344 -0.0005 0.0104 11 ILE J CA ? ? 1 +18225 C CB . ILE I 10 0.7516 0.8648 1.1412 0.0344 0.0012 0.0090 11 ILE J CB ? ? 1 +18226 C CG1 . ILE I 10 0.7614 0.8658 1.1425 0.0471 0.0010 0.0094 11 ILE J CG1 ? ? 1 +18227 C CG2 . ILE I 10 0.7553 0.8645 1.1440 0.0274 0.0013 0.0044 11 ILE J CG2 ? ? 1 +18228 C CD1 . ILE I 10 0.7866 0.8675 1.1529 0.0487 0.0024 0.0078 11 ILE J CD1 ? ? 1 +18229 C C . ILE I 10 0.7095 0.8587 1.1240 0.0228 -0.0007 0.0096 11 ILE J C ? ? 1 +18230 O O . ILE I 10 0.6941 0.8538 1.1155 0.0196 -0.0017 0.0064 11 ILE J O ? ? 1 +18231 N N . VAL I 11 0.7127 0.8596 1.1274 0.0169 0.0004 0.0125 12 VAL J N ? ? 1 +18232 C CA . VAL I 11 0.7021 0.8597 1.1262 0.0062 0.0003 0.0121 12 VAL J CA ? ? 1 +18233 C CB . VAL I 11 0.7059 0.8569 1.1275 0.0009 0.0022 0.0158 12 VAL J CB ? ? 1 +18234 C CG1 . VAL I 11 0.6912 0.8562 1.1244 -0.0093 0.0021 0.0156 12 VAL J CG1 ? ? 1 +18235 C CG2 . VAL I 11 0.7289 0.8550 1.1361 -0.0017 0.0046 0.0157 12 VAL J CG2 ? ? 1 +18236 C C . VAL I 11 0.6807 0.8627 1.1192 0.0074 -0.0018 0.0118 12 VAL J C ? ? 1 +18237 O O . VAL I 11 0.6732 0.8654 1.1194 0.0016 -0.0027 0.0091 12 VAL J O ? ? 1 +18238 N N . ALA I 12 0.6732 0.8640 1.1151 0.0150 -0.0026 0.0147 13 ALA J N ? ? 1 +18239 C CA . ALA I 12 0.6483 0.8616 1.1033 0.0168 -0.0044 0.0147 13 ALA J CA ? ? 1 +18240 C CB . ALA I 12 0.6427 0.8618 1.0991 0.0252 -0.0050 0.0181 13 ALA J CB ? ? 1 +18241 C C . ALA I 12 0.6426 0.8632 1.1011 0.0197 -0.0055 0.0109 13 ALA J C ? ? 1 +18242 O O . ALA I 12 0.6298 0.8664 1.0986 0.0163 -0.0066 0.0096 13 ALA J O ? ? 1 +18243 N N . THR I 13 0.6536 0.8621 1.1030 0.0261 -0.0050 0.0092 14 THR J N ? ? 1 +18244 C CA . THR I 13 0.6491 0.8629 1.1005 0.0294 -0.0057 0.0056 14 THR J CA ? ? 1 +18245 C CB . THR I 13 0.6661 0.8665 1.1072 0.0389 -0.0049 0.0047 14 THR J CB ? ? 1 +18246 O OG1 . THR I 13 0.6671 0.8702 1.1085 0.0472 -0.0053 0.0078 14 THR J OG1 ? ? 1 +18247 C CG2 . THR I 13 0.6637 0.8695 1.1064 0.0429 -0.0052 0.0010 14 THR J CG2 ? ? 1 +18248 C C . THR I 13 0.6471 0.8594 1.0990 0.0207 -0.0058 0.0020 14 THR J C ? ? 1 +18249 O O . THR I 13 0.6341 0.8592 1.0932 0.0198 -0.0069 -0.0003 14 THR J O ? ? 1 +18250 N N . VAL I 14 0.6629 0.8592 1.1068 0.0143 -0.0049 0.0015 15 VAL J N ? ? 1 +18251 C CA . VAL I 14 0.6681 0.8625 1.1126 0.0054 -0.0053 -0.0020 15 VAL J CA ? ? 1 +18252 C CB . VAL I 14 0.6925 0.8652 1.1256 0.0003 -0.0038 -0.0026 15 VAL J CB ? ? 1 +18253 C CG1 . VAL I 14 0.6890 0.8623 1.1254 -0.0111 -0.0044 -0.0053 15 VAL J CG1 ? ? 1 +18254 C CG2 . VAL I 14 0.7104 0.8665 1.1313 0.0068 -0.0031 -0.0048 15 VAL J CG2 ? ? 1 +18255 C C . VAL I 14 0.6484 0.8598 1.1052 -0.0024 -0.0065 -0.0016 15 VAL J C ? ? 1 +18256 O O . VAL I 14 0.6371 0.8569 1.0990 -0.0061 -0.0079 -0.0046 15 VAL J O ? ? 1 +18257 N N . ALA I 15 0.6456 0.8615 1.1066 -0.0046 -0.0060 0.0020 16 ALA J N ? ? 1 +18258 C CA . ALA I 15 0.6342 0.8669 1.1072 -0.0110 -0.0070 0.0027 16 ALA J CA ? ? 1 +18259 C CB . ALA I 15 0.6329 0.8665 1.1076 -0.0124 -0.0058 0.0070 16 ALA J CB ? ? 1 +18260 C C . ALA I 15 0.6212 0.8731 1.1039 -0.0068 -0.0087 0.0021 16 ALA J C ? ? 1 +18261 O O . ALA I 15 0.6140 0.8775 1.1045 -0.0120 -0.0100 0.0003 16 ALA J O ? ? 1 +18262 N N . GLY I 16 0.6221 0.8772 1.1043 0.0026 -0.0086 0.0037 17 GLY J N ? ? 1 +18263 C CA . GLY I 16 0.6080 0.8803 1.0988 0.0071 -0.0097 0.0032 17 GLY J CA ? ? 1 +18264 C C . GLY I 16 0.6137 0.8879 1.1044 0.0064 -0.0104 -0.0010 17 GLY J C ? ? 1 +18265 O O . GLY I 16 0.6003 0.8890 1.0996 0.0039 -0.0116 -0.0020 17 GLY J O ? ? 1 +18266 N N . MET I 17 0.6417 0.9008 1.1223 0.0088 -0.0097 -0.0034 18 MET J N ? ? 1 +18267 C CA . MET I 17 0.6615 0.9202 1.1401 0.0085 -0.0103 -0.0075 18 MET J CA ? ? 1 +18268 C CB . MET I 17 0.7059 0.9456 1.1718 0.0124 -0.0092 -0.0096 18 MET J CB ? ? 1 +18269 C CG . MET I 17 0.7364 0.9773 1.2001 0.0231 -0.0082 -0.0097 18 MET J CG ? ? 1 +18270 S SD . MET I 17 0.8210 1.0386 1.2697 0.0298 -0.0066 -0.0101 18 MET J SD ? ? 1 +18271 C CE . MET I 17 0.8381 1.0479 1.2798 0.0300 -0.0064 -0.0153 18 MET J CE ? ? 1 +18272 C C . MET I 17 0.6467 0.9090 1.1292 -0.0014 -0.0118 -0.0096 18 MET J C ? ? 1 +18273 O O . MET I 17 0.6360 0.9080 1.1229 -0.0025 -0.0130 -0.0119 18 MET J O ? ? 1 +18274 N N . GLY I 18 0.6470 0.9015 1.1277 -0.0084 -0.0116 -0.0088 19 GLY J N ? ? 1 +18275 C CA . GLY I 18 0.6397 0.8985 1.1253 -0.0180 -0.0130 -0.0105 19 GLY J CA ? ? 1 +18276 C C . GLY I 18 0.6135 0.8929 1.1115 -0.0197 -0.0146 -0.0097 19 GLY J C ? ? 1 +18277 O O . GLY I 18 0.6122 0.8984 1.1137 -0.0233 -0.0163 -0.0125 19 GLY J O ? ? 1 +18278 N N . VAL I 19 0.5990 0.8876 1.1030 -0.0169 -0.0139 -0.0059 20 VAL J N ? ? 1 +18279 C CA . VAL I 19 0.5827 0.8904 1.0980 -0.0177 -0.0151 -0.0048 20 VAL J CA ? ? 1 +18280 C CB . VAL I 19 0.5758 0.8899 1.0954 -0.0142 -0.0141 -0.0004 20 VAL J CB ? ? 1 +18281 C CG1 . VAL I 19 0.5579 0.8911 1.0879 -0.0123 -0.0151 0.0007 20 VAL J CG1 ? ? 1 +18282 C CG2 . VAL I 19 0.5777 0.8872 1.0977 -0.0205 -0.0134 0.0018 20 VAL J CG2 ? ? 1 +18283 C C . VAL I 19 0.5767 0.8935 1.0942 -0.0132 -0.0160 -0.0069 20 VAL J C ? ? 1 +18284 O O . VAL I 19 0.5736 0.9023 1.0979 -0.0165 -0.0175 -0.0080 20 VAL J O ? ? 1 +18285 N N . ILE I 20 0.5764 0.8876 1.0881 -0.0054 -0.0148 -0.0074 21 ILE J N ? ? 1 +18286 C CA . ILE I 20 0.5640 0.8834 1.0775 -0.0007 -0.0150 -0.0092 21 ILE J CA ? ? 1 +18287 C CB . ILE I 20 0.5788 0.8924 1.0867 0.0087 -0.0132 -0.0091 21 ILE J CB ? ? 1 +18288 C CG1 . ILE I 20 0.5890 0.9041 1.0991 0.0131 -0.0123 -0.0051 21 ILE J CG1 ? ? 1 +18289 C CG2 . ILE I 20 0.5693 0.8930 1.0802 0.0133 -0.0129 -0.0108 21 ILE J CG2 ? ? 1 +18290 C CD1 . ILE I 20 0.5964 0.9149 1.1067 0.0227 -0.0111 -0.0045 21 ILE J CD1 ? ? 1 +18291 C C . ILE I 20 0.5547 0.8712 1.0651 -0.0050 -0.0164 -0.0133 21 ILE J C ? ? 1 +18292 O O . ILE I 20 0.5339 0.8613 1.0490 -0.0053 -0.0173 -0.0146 21 ILE J O ? ? 1 +18293 N N . VAL I 21 0.5660 0.8672 1.0681 -0.0084 -0.0165 -0.0154 22 VAL J N ? ? 1 +18294 C CA . VAL I 21 0.5739 0.8712 1.0724 -0.0127 -0.0182 -0.0195 22 VAL J CA ? ? 1 +18295 C CB . VAL I 21 0.5929 0.8710 1.0810 -0.0155 -0.0179 -0.0217 22 VAL J CB ? ? 1 +18296 C CG1 . VAL I 21 0.5973 0.8720 1.0826 -0.0212 -0.0202 -0.0262 22 VAL J CG1 ? ? 1 +18297 C CG2 . VAL I 21 0.6054 0.8714 1.0842 -0.0073 -0.0157 -0.0218 22 VAL J CG2 ? ? 1 +18298 C C . VAL I 21 0.5625 0.8717 1.0696 -0.0202 -0.0205 -0.0201 22 VAL J C ? ? 1 +18299 O O . VAL I 21 0.5604 0.8755 1.0686 -0.0211 -0.0221 -0.0226 22 VAL J O ? ? 1 +18300 N N . ILE I 22 0.5578 0.8703 1.0705 -0.0253 -0.0207 -0.0177 23 ILE J N ? ? 1 +18301 C CA . ILE I 22 0.5543 0.8771 1.0749 -0.0325 -0.0230 -0.0184 23 ILE J CA ? ? 1 +18302 C CB . ILE I 22 0.5632 0.8832 1.0868 -0.0391 -0.0226 -0.0166 23 ILE J CB ? ? 1 +18303 C CG1 . ILE I 22 0.5789 0.8951 1.1024 -0.0475 -0.0247 -0.0201 23 ILE J CG1 ? ? 1 +18304 C CG2 . ILE I 22 0.5490 0.8831 1.0827 -0.0399 -0.0224 -0.0130 23 ILE J CG2 ? ? 1 +18305 C CD1 . ILE I 22 0.6059 0.9050 1.1183 -0.0477 -0.0245 -0.0234 23 ILE J CD1 ? ? 1 +18306 C C . ILE I 22 0.5331 0.8735 1.0625 -0.0300 -0.0237 -0.0170 23 ILE J C ? ? 1 +18307 O O . ILE I 22 0.5242 0.8725 1.0572 -0.0329 -0.0258 -0.0190 23 ILE J O ? ? 1 +18308 N N . VAL I 23 0.5302 0.8763 1.0626 -0.0243 -0.0219 -0.0136 24 VAL J N ? ? 1 +18309 C CA . VAL I 23 0.5104 0.8722 1.0504 -0.0213 -0.0221 -0.0123 24 VAL J CA ? ? 1 +18310 C CB . VAL I 23 0.5140 0.8805 1.0573 -0.0157 -0.0202 -0.0084 24 VAL J CB ? ? 1 +18311 C CG1 . VAL I 23 0.5012 0.8825 1.0512 -0.0116 -0.0200 -0.0075 24 VAL J CG1 ? ? 1 +18312 C CG2 . VAL I 23 0.5129 0.8806 1.0605 -0.0199 -0.0201 -0.0055 24 VAL J CG2 ? ? 1 +18313 C C . VAL I 23 0.4961 0.8596 1.0329 -0.0175 -0.0224 -0.0150 24 VAL J C ? ? 1 +18314 O O . VAL I 23 0.4912 0.8654 1.0329 -0.0189 -0.0237 -0.0157 24 VAL J O ? ? 1 +18315 N N . GLY I 24 0.4942 0.8466 1.0225 -0.0126 -0.0209 -0.0165 25 GLY J N ? ? 1 +18316 C CA . GLY I 24 0.4890 0.8407 1.0127 -0.0091 -0.0208 -0.0193 25 GLY J CA ? ? 1 +18317 C C . GLY I 24 0.4825 0.8346 1.0050 -0.0148 -0.0235 -0.0227 25 GLY J C ? ? 1 +18318 O O . GLY I 24 0.4735 0.8325 0.9968 -0.0134 -0.0240 -0.0240 25 GLY J O ? ? 1 +18319 N N . LEU I 25 0.4818 0.8262 1.0024 -0.0212 -0.0252 -0.0240 26 LEU J N ? ? 1 +18320 C CA . LEU I 25 0.4808 0.8249 1.0004 -0.0271 -0.0283 -0.0274 26 LEU J CA ? ? 1 +18321 C CB . LEU I 25 0.4937 0.8266 1.0103 -0.0335 -0.0293 -0.0289 26 LEU J CB ? ? 1 +18322 C CG . LEU I 25 0.4998 0.8306 1.0149 -0.0400 -0.0328 -0.0330 26 LEU J CG ? ? 1 +18323 C CD1 . LEU I 25 0.5123 0.8329 1.0169 -0.0373 -0.0333 -0.0369 26 LEU J CD1 ? ? 1 +18324 C CD2 . LEU I 25 0.5085 0.8323 1.0244 -0.0473 -0.0335 -0.0336 26 LEU J CD2 ? ? 1 +18325 C C . LEU I 25 0.4590 0.8189 0.9881 -0.0302 -0.0303 -0.0266 26 LEU J C ? ? 1 +18326 O O . LEU I 25 0.4529 0.8163 0.9813 -0.0317 -0.0325 -0.0291 26 LEU J O ? ? 1 +18327 N N . PHE I 26 0.4453 0.8142 0.9828 -0.0310 -0.0295 -0.0230 27 PHE J N ? ? 1 +18328 C CA . PHE I 26 0.4296 0.8133 0.9763 -0.0336 -0.0312 -0.0218 27 PHE J CA ? ? 1 +18329 C CB . PHE I 26 0.4197 0.8094 0.9742 -0.0354 -0.0302 -0.0180 27 PHE J CB ? ? 1 +18330 C CG . PHE I 26 0.4258 0.8086 0.9806 -0.0416 -0.0306 -0.0181 27 PHE J CG ? ? 1 +18331 C CD1 . PHE I 26 0.4356 0.8095 0.9858 -0.0464 -0.0324 -0.0218 27 PHE J CD1 ? ? 1 +18332 C CD2 . PHE I 26 0.4216 0.8069 0.9813 -0.0427 -0.0291 -0.0147 27 PHE J CD2 ? ? 1 +18333 C CE1 . PHE I 26 0.4404 0.8079 0.9911 -0.0525 -0.0325 -0.0219 27 PHE J CE1 ? ? 1 +18334 C CE2 . PHE I 26 0.4273 0.8060 0.9871 -0.0486 -0.0290 -0.0147 27 PHE J CE2 ? ? 1 +18335 C CZ . PHE I 26 0.4366 0.8065 0.9921 -0.0536 -0.0306 -0.0184 27 PHE J CZ ? ? 1 +18336 C C . PHE I 26 0.4244 0.8175 0.9726 -0.0284 -0.0305 -0.0213 27 PHE J C ? ? 1 +18337 O O . PHE I 26 0.4178 0.8196 0.9695 -0.0303 -0.0325 -0.0222 27 PHE J O ? ? 1 +18338 N N . PHE I 27 0.4288 0.8202 0.9744 -0.0217 -0.0276 -0.0199 28 PHE J N ? ? 1 +18339 C CA . PHE I 27 0.4228 0.8213 0.9687 -0.0166 -0.0263 -0.0198 28 PHE J CA ? ? 1 +18340 C CB . PHE I 27 0.4251 0.8233 0.9708 -0.0097 -0.0229 -0.0177 28 PHE J CB ? ? 1 +18341 C CG . PHE I 27 0.4151 0.8240 0.9701 -0.0095 -0.0223 -0.0139 28 PHE J CG ? ? 1 +18342 C CD1 . PHE I 27 0.4030 0.8253 0.9650 -0.0094 -0.0224 -0.0126 28 PHE J CD1 ? ? 1 +18343 C CD2 . PHE I 27 0.4181 0.8231 0.9742 -0.0095 -0.0216 -0.0116 28 PHE J CD2 ? ? 1 +18344 C CE1 . PHE I 27 0.3930 0.8248 0.9632 -0.0092 -0.0219 -0.0092 28 PHE J CE1 ? ? 1 +18345 C CE2 . PHE I 27 0.4069 0.8214 0.9711 -0.0093 -0.0212 -0.0082 28 PHE J CE2 ? ? 1 +18346 C CZ . PHE I 27 0.3949 0.8229 0.9662 -0.0092 -0.0214 -0.0071 28 PHE J CZ ? ? 1 +18347 C C . PHE I 27 0.4300 0.8226 0.9679 -0.0160 -0.0272 -0.0236 28 PHE J C ? ? 1 +18348 O O . PHE I 27 0.4258 0.8257 0.9648 -0.0154 -0.0278 -0.0243 28 PHE J O ? ? 1 +18349 N N . TYR I 28 0.4453 0.8242 0.9747 -0.0163 -0.0274 -0.0262 29 TYR J N ? ? 1 +18350 C CA . TYR I 28 0.4579 0.8303 0.9792 -0.0168 -0.0289 -0.0302 29 TYR J CA ? ? 1 +18351 C CB . TYR I 28 0.4804 0.8364 0.9926 -0.0179 -0.0292 -0.0329 29 TYR J CB ? ? 1 +18352 C CG . TYR I 28 0.4959 0.8454 1.0005 -0.0203 -0.0318 -0.0373 29 TYR J CG ? ? 1 +18353 C CD1 . TYR I 28 0.5027 0.8494 1.0000 -0.0154 -0.0306 -0.0393 29 TYR J CD1 ? ? 1 +18354 C CD2 . TYR I 28 0.5045 0.8515 1.0096 -0.0274 -0.0356 -0.0395 29 TYR J CD2 ? ? 1 +18355 C CE1 . TYR I 28 0.5160 0.8565 1.0056 -0.0174 -0.0333 -0.0433 29 TYR J CE1 ? ? 1 +18356 C CE2 . TYR I 28 0.5126 0.8543 1.0109 -0.0295 -0.0385 -0.0437 29 TYR J CE2 ? ? 1 +18357 C CZ . TYR I 28 0.5216 0.8598 1.0118 -0.0244 -0.0374 -0.0456 29 TYR J CZ ? ? 1 +18358 O OH . TYR I 28 0.5365 0.8688 1.0191 -0.0262 -0.0403 -0.0498 29 TYR J OH ? ? 1 +18359 C C . TYR I 28 0.4486 0.8280 0.9732 -0.0222 -0.0326 -0.0316 29 TYR J C ? ? 1 +18360 O O . TYR I 28 0.4488 0.8309 0.9704 -0.0209 -0.0334 -0.0333 29 TYR J O ? ? 1 +18361 N N . GLY I 29 0.4394 0.8219 0.9703 -0.0282 -0.0348 -0.0309 30 GLY J N ? ? 1 +18362 C CA . GLY I 29 0.4290 0.8177 0.9635 -0.0337 -0.0388 -0.0325 30 GLY J CA ? ? 1 +18363 C C . GLY I 29 0.4093 0.8122 0.9503 -0.0325 -0.0393 -0.0308 30 GLY J C ? ? 1 +18364 O O . GLY I 29 0.4031 0.8109 0.9456 -0.0357 -0.0426 -0.0325 30 GLY J O ? ? 1 +18365 N N . ALA I 30 0.3964 0.8055 0.9411 -0.0280 -0.0360 -0.0274 31 ALA J N ? ? 1 +18366 C CA . ALA I 30 0.3804 0.8018 0.9303 -0.0262 -0.0357 -0.0256 31 ALA J CA ? ? 1 +18367 C CB . ALA I 30 0.3713 0.7990 0.9271 -0.0226 -0.0324 -0.0218 31 ALA J CB ? ? 1 +18368 C C . ALA I 30 0.3825 0.8025 0.9252 -0.0227 -0.0354 -0.0277 31 ALA J C ? ? 1 +18369 O O . ALA I 30 0.3730 0.8016 0.9182 -0.0221 -0.0359 -0.0270 31 ALA J O ? ? 1 +18370 N N . TYR I 31 0.3947 0.8033 0.9280 -0.0203 -0.0345 -0.0302 32 TYR J N ? ? 1 +18371 C CA . TYR I 31 0.4003 0.8058 0.9255 -0.0167 -0.0337 -0.0324 32 TYR J CA ? ? 1 +18372 C CB . TYR I 31 0.4073 0.8070 0.9279 -0.0106 -0.0293 -0.0320 32 TYR J CB ? ? 1 +18373 C CG . TYR I 31 0.3980 0.8071 0.9264 -0.0070 -0.0258 -0.0282 32 TYR J CG ? ? 1 +18374 C CD1 . TYR I 31 0.3912 0.8094 0.9221 -0.0044 -0.0239 -0.0269 32 TYR J CD1 ? ? 1 +18375 C CD2 . TYR I 31 0.3978 0.8062 0.9307 -0.0064 -0.0244 -0.0260 32 TYR J CD2 ? ? 1 +18376 C CE1 . TYR I 31 0.3832 0.8101 0.9214 -0.0013 -0.0208 -0.0238 32 TYR J CE1 ? ? 1 +18377 C CE2 . TYR I 31 0.3891 0.8061 0.9290 -0.0029 -0.0216 -0.0228 32 TYR J CE2 ? ? 1 +18378 C CZ . TYR I 31 0.3813 0.8079 0.9242 -0.0005 -0.0198 -0.0218 32 TYR J CZ ? ? 1 +18379 O OH . TYR I 31 0.3712 0.8068 0.9215 0.0026 -0.0172 -0.0189 32 TYR J OH ? ? 1 +18380 C C . TYR I 31 0.4106 0.8071 0.9274 -0.0195 -0.0372 -0.0366 32 TYR J C ? ? 1 +18381 O O . TYR I 31 0.4177 0.8096 0.9261 -0.0166 -0.0368 -0.0388 32 TYR J O ? ? 1 +18382 N N . ALA I 32 0.4115 0.8053 0.9304 -0.0251 -0.0407 -0.0379 33 ALA J N ? ? 1 +18383 C CA . ALA I 32 0.4212 0.8069 0.9331 -0.0284 -0.0445 -0.0422 33 ALA J CA ? ? 1 +18384 C CB . ALA I 32 0.4352 0.8066 0.9392 -0.0277 -0.0432 -0.0443 33 ALA J CB ? ? 1 +18385 C C . ALA I 32 0.4158 0.8067 0.9346 -0.0352 -0.0490 -0.0430 33 ALA J C ? ? 1 +18386 O O . ALA I 32 0.4096 0.8061 0.9373 -0.0381 -0.0487 -0.0406 33 ALA J O ? ? 1 +18387 N N . GLY I 33 0.4210 0.8099 0.9351 -0.0375 -0.0531 -0.0467 34 GLY J N ? ? 1 +18388 C CA . GLY I 33 0.4170 0.8105 0.9368 -0.0439 -0.0580 -0.0484 34 GLY J CA ? ? 1 +18389 C C . GLY I 33 0.3983 0.8065 0.9288 -0.0448 -0.0586 -0.0453 34 GLY J C ? ? 1 +18390 O O . GLY I 33 0.3920 0.8063 0.9227 -0.0407 -0.0567 -0.0431 34 GLY J O ? ? 1 +18391 N N . LEU I 34 0.3906 0.8040 0.9298 -0.0504 -0.0610 -0.0453 35 LEU J N ? ? 1 +18392 C CA . LEU I 34 0.3740 0.8009 0.9236 -0.0516 -0.0616 -0.0425 35 LEU J CA ? ? 1 +18393 C CB . LEU I 34 0.3703 0.8011 0.9290 -0.0582 -0.0636 -0.0428 35 LEU J CB ? ? 1 +18394 C CG . LEU I 34 0.3792 0.8066 0.9367 -0.0633 -0.0685 -0.0475 35 LEU J CG ? ? 1 +18395 C CD1 . LEU I 34 0.3735 0.8079 0.9419 -0.0694 -0.0700 -0.0473 35 LEU J CD1 ? ? 1 +18396 C CD2 . LEU I 34 0.3816 0.8118 0.9345 -0.0616 -0.0727 -0.0501 35 LEU J CD2 ? ? 1 +18397 C C . LEU I 34 0.3630 0.7947 0.9162 -0.0474 -0.0567 -0.0378 35 LEU J C ? ? 1 +18398 O O . LEU I 34 0.3717 0.7972 0.9233 -0.0457 -0.0531 -0.0364 35 LEU J O ? ? 1 +18399 N N . GLY I 35 0.3478 0.7902 0.9057 -0.0456 -0.0567 -0.0356 36 GLY J N ? ? 1 +18400 C CA . GLY I 35 0.3349 0.7840 0.8980 -0.0425 -0.0528 -0.0313 36 GLY J CA ? ? 1 +18401 C C . GLY I 35 0.3358 0.7814 0.8922 -0.0363 -0.0490 -0.0303 36 GLY J C ? ? 1 +18402 O O . GLY I 35 0.3264 0.7770 0.8869 -0.0334 -0.0455 -0.0269 36 GLY J O ? ? 1 +18403 N N . SER I 36 0.3457 0.7830 0.8921 -0.0343 -0.0496 -0.0333 37 SER J N ? ? 1 +18404 C CA . SER I 36 0.3488 0.7819 0.8883 -0.0286 -0.0457 -0.0328 37 SER J CA ? ? 1 +18405 C CB . SER I 36 0.3646 0.7843 0.8935 -0.0276 -0.0458 -0.0363 37 SER J CB ? ? 1 +18406 O OG . SER I 36 0.3729 0.7895 0.8943 -0.0278 -0.0489 -0.0395 37 SER J OG ? ? 1 +18407 C C . SER I 36 0.3446 0.7832 0.8817 -0.0257 -0.0454 -0.0324 37 SER J C ? ? 1 +18408 O O . SER I 36 0.3474 0.7843 0.8801 -0.0209 -0.0416 -0.0316 37 SER J O ? ? 1 +18409 N N . SER I 37 0.3381 0.7830 0.8779 -0.0284 -0.0493 -0.0329 38 SER J N ? ? 1 +18410 C CA . SER I 37 0.3342 0.7839 0.8713 -0.0261 -0.0496 -0.0324 38 SER J CA ? ? 1 +18411 C CB . SER I 37 0.3270 0.7813 0.8659 -0.0217 -0.0443 -0.0291 38 SER J CB ? ? 1 +18412 O OG . SER I 37 0.3349 0.7819 0.8647 -0.0174 -0.0408 -0.0301 38 SER J OG ? ? 1 +18413 C C . SER I 37 0.3465 0.7876 0.8714 -0.0245 -0.0514 -0.0360 38 SER J C ? ? 1 +18414 O O . SER I 37 0.3466 0.7903 0.8679 -0.0232 -0.0526 -0.0362 38 SER J O ? ? 1 +18415 N N . LEU I 38 0.3584 0.7888 0.8765 -0.0245 -0.0514 -0.0388 39 LEU J N ? ? 1 +18416 C CA . LEU I 38 0.3730 0.7940 0.8786 -0.0227 -0.0528 -0.0423 39 LEU J CA ? ? 1 +18417 C CB . LEU I 38 0.3839 0.7942 0.8825 -0.0200 -0.0492 -0.0435 39 LEU J CB ? ? 1 +18418 C CG . LEU I 38 0.3800 0.7923 0.8800 -0.0151 -0.0427 -0.0404 39 LEU J CG ? ? 1 +18419 C CD1 . LEU I 38 0.3918 0.7931 0.8843 -0.0122 -0.0398 -0.0421 39 LEU J CD1 ? ? 1 +18420 C CD2 . LEU I 38 0.3777 0.7944 0.8744 -0.0115 -0.0404 -0.0391 39 LEU J CD2 ? ? 1 +18421 C C . LEU I 38 0.3801 0.7985 0.8837 -0.0271 -0.0592 -0.0460 39 LEU J C ? ? 1 +18422 O O . LEU I 38 0.3767 0.7974 0.8877 -0.0317 -0.0618 -0.0465 39 LEU J O ? ? 1 +18423 O OXT . LEU I 38 0.3888 0.8027 0.8833 -0.0260 -0.0618 -0.0487 39 LEU J OXT ? ? 1 +18424 N N . LYS J 1 0.6660 1.0074 1.0928 0.0780 0.0423 -0.0562 10 LYS K N ? ? 1 +18425 C CA . LYS J 1 0.6815 1.0079 1.0990 0.0795 0.0398 -0.0586 10 LYS K CA ? ? 1 +18426 C CB . LYS J 1 0.7094 1.0221 1.1104 0.0788 0.0393 -0.0621 10 LYS K CB ? ? 1 +18427 C CG . LYS J 1 0.7213 1.0344 1.1184 0.0725 0.0354 -0.0619 10 LYS K CG ? ? 1 +18428 C CD . LYS J 1 0.7229 1.0377 1.1258 0.0661 0.0283 -0.0602 10 LYS K CD ? ? 1 +18429 C CE . LYS J 1 0.7113 1.0423 1.1290 0.0633 0.0279 -0.0562 10 LYS K CE ? ? 1 +18430 N NZ . LYS J 1 0.7103 1.0428 1.1310 0.0563 0.0212 -0.0549 10 LYS K NZ ? ? 1 +18431 C C . LYS J 1 0.6826 1.0076 1.1019 0.0870 0.0444 -0.0596 10 LYS K C ? ? 1 +18432 O O . LYS J 1 0.6820 1.0149 1.1054 0.0915 0.0503 -0.0595 10 LYS K O ? ? 1 +18433 N N . LEU J 2 0.6802 0.9950 1.0962 0.0883 0.0416 -0.0605 11 LEU K N ? ? 1 +18434 C CA . LEU J 2 0.6898 0.9994 1.1038 0.0959 0.0455 -0.0621 11 LEU K CA ? ? 1 +18435 C CB . LEU J 2 0.6928 0.9931 1.1058 0.0962 0.0415 -0.0620 11 LEU K CB ? ? 1 +18436 C CG . LEU J 2 0.6743 0.9859 1.1019 0.0961 0.0400 -0.0584 11 LEU K CG ? ? 1 +18437 C CD1 . LEU J 2 0.6570 0.9789 1.0924 0.0891 0.0366 -0.0556 11 LEU K CD1 ? ? 1 +18438 C CD2 . LEU J 2 0.6799 0.9808 1.1050 0.0968 0.0366 -0.0583 11 LEU K CD2 ? ? 1 +18439 C C . LEU J 2 0.7098 1.0076 1.1091 0.0989 0.0488 -0.0660 11 LEU K C ? ? 1 +18440 O O . LEU J 2 0.7142 1.0039 1.1034 0.0946 0.0461 -0.0675 11 LEU K O ? ? 1 +18441 N N . PRO J 3 0.7282 1.0244 1.1256 0.1066 0.0545 -0.0677 12 PRO K N ? ? 1 +18442 C CA . PRO J 3 0.7513 1.0340 1.1334 0.1098 0.0574 -0.0717 12 PRO K CA ? ? 1 +18443 C CB . PRO J 3 0.7576 1.0420 1.1426 0.1188 0.0634 -0.0728 12 PRO K CB ? ? 1 +18444 C CG . PRO J 3 0.7377 1.0410 1.1407 0.1197 0.0651 -0.0694 12 PRO K CG ? ? 1 +18445 C CD . PRO J 3 0.7235 1.0311 1.1333 0.1125 0.0585 -0.0663 12 PRO K CD ? ? 1 +18446 C C . PRO J 3 0.7726 1.0377 1.1425 0.1068 0.0518 -0.0737 12 PRO K C ? ? 1 +18447 O O . PRO J 3 0.7579 1.0203 1.1316 0.1049 0.0474 -0.0725 12 PRO K O ? ? 1 +18448 N N . GLU J 4 0.8082 1.0614 1.1633 0.1062 0.0520 -0.0770 13 GLU K N ? ? 1 +18449 C CA . GLU J 4 0.8374 1.0742 1.1802 0.1023 0.0465 -0.0794 13 GLU K CA ? ? 1 +18450 C CB . GLU J 4 0.8815 1.1081 1.2085 0.1027 0.0481 -0.0830 13 GLU K CB ? ? 1 +18451 C CG . GLU J 4 0.9268 1.1356 1.2393 0.0991 0.0427 -0.0863 13 GLU K CG ? ? 1 +18452 C CD . GLU J 4 0.9466 1.1563 1.2619 0.0903 0.0351 -0.0851 13 GLU K CD ? ? 1 +18453 O OE1 . GLU J 4 0.9465 1.1707 1.2732 0.0866 0.0339 -0.0818 13 GLU K OE1 ? ? 1 +18454 O OE2 . GLU J 4 0.9744 1.1703 1.2806 0.0873 0.0304 -0.0876 13 GLU K OE2 ? ? 1 +18455 C C . GLU J 4 0.8365 1.0616 1.1761 0.1057 0.0454 -0.0806 13 GLU K C ? ? 1 +18456 O O . GLU J 4 0.8345 1.0510 1.1712 0.1011 0.0397 -0.0808 13 GLU K O ? ? 1 +18457 N N . ALA J 5 0.8285 1.0534 1.1689 0.1139 0.0508 -0.0813 14 ALA K N ? ? 1 +18458 C CA . ALA J 5 0.8310 1.0446 1.1679 0.1183 0.0504 -0.0824 14 ALA K CA ? ? 1 +18459 C CB . ALA J 5 0.8363 1.0522 1.1744 0.1279 0.0573 -0.0835 14 ALA K CB ? ? 1 +18460 C C . ALA J 5 0.8154 1.0325 1.1625 0.1156 0.0460 -0.0793 14 ALA K C ? ? 1 +18461 O O . ALA J 5 0.8301 1.0339 1.1712 0.1158 0.0433 -0.0802 14 ALA K O ? ? 1 +18462 N N . TYR J 6 0.7874 1.0218 1.1493 0.1131 0.0455 -0.0755 15 TYR K N ? ? 1 +18463 C CA . TYR J 6 0.7701 1.0094 1.1423 0.1105 0.0417 -0.0722 15 TYR K CA ? ? 1 +18464 C CB . TYR J 6 0.7433 1.0021 1.1317 0.1134 0.0446 -0.0689 15 TYR K CB ? ? 1 +18465 C CG . TYR J 6 0.7415 1.0034 1.1322 0.1229 0.0506 -0.0700 15 TYR K CG ? ? 1 +18466 C CD1 . TYR J 6 0.7426 1.0019 1.1365 0.1285 0.0506 -0.0693 15 TYR K CD1 ? ? 1 +18467 C CD2 . TYR J 6 0.7393 1.0070 1.1290 0.1264 0.0562 -0.0716 15 TYR K CD2 ? ? 1 +18468 C CE1 . TYR J 6 0.7423 1.0056 1.1392 0.1376 0.0559 -0.0703 15 TYR K CE1 ? ? 1 +18469 C CE2 . TYR J 6 0.7410 1.0127 1.1338 0.1351 0.0619 -0.0727 15 TYR K CE2 ? ? 1 +18470 C CZ . TYR J 6 0.7427 1.0125 1.1395 0.1408 0.0616 -0.0721 15 TYR K CZ ? ? 1 +18471 O OH . TYR J 6 0.7530 1.0273 1.1533 0.1497 0.0670 -0.0734 15 TYR K OH ? ? 1 +18472 C C . TYR J 6 0.7685 1.0078 1.1418 0.1009 0.0355 -0.0708 15 TYR K C ? ? 1 +18473 O O . TYR J 6 0.7520 0.9950 1.1333 0.0980 0.0322 -0.0681 15 TYR K O ? ? 1 +18474 N N . ALA J 7 0.7813 1.0162 1.1463 0.0962 0.0339 -0.0729 16 ALA K N ? ? 1 +18475 C CA . ALA J 7 0.7822 1.0199 1.1495 0.0874 0.0283 -0.0717 16 ALA K CA ? ? 1 +18476 C CB . ALA J 7 0.7906 1.0233 1.1472 0.0843 0.0275 -0.0745 16 ALA K CB ? ? 1 +18477 C C . ALA J 7 0.7909 1.0187 1.1565 0.0826 0.0229 -0.0715 16 ALA K C ? ? 1 +18478 O O . ALA J 7 0.7813 1.0150 1.1534 0.0758 0.0187 -0.0695 16 ALA K O ? ? 1 +18479 N N . ILE J 8 0.8148 1.0274 1.1716 0.0861 0.0233 -0.0736 17 ILE K N ? ? 1 +18480 C CA . ILE J 8 0.8286 1.0303 1.1828 0.0816 0.0187 -0.0736 17 ILE K CA ? ? 1 +18481 C CB . ILE J 8 0.8654 1.0467 1.2052 0.0852 0.0194 -0.0773 17 ILE K CB ? ? 1 +18482 C CG1 . ILE J 8 0.8792 1.0581 1.2204 0.0940 0.0234 -0.0764 17 ILE K CG1 ? ? 1 +18483 C CG2 . ILE J 8 0.8827 1.0557 1.2094 0.0864 0.0207 -0.0816 17 ILE K CG2 ? ? 1 +18484 C CD1 . ILE J 8 0.8789 1.0662 1.2223 0.1021 0.0293 -0.0767 17 ILE K CD1 ? ? 1 +18485 C C . ILE J 8 0.8151 1.0253 1.1819 0.0816 0.0180 -0.0695 17 ILE K C ? ? 1 +18486 O O . ILE J 8 0.8112 1.0170 1.1793 0.0760 0.0140 -0.0684 17 ILE K O ? ? 1 +18487 N N . PHE J 9 0.8107 1.0332 1.1868 0.0877 0.0220 -0.0672 18 PHE K N ? ? 1 +18488 C CA . PHE J 9 0.7912 1.0232 1.1796 0.0884 0.0215 -0.0632 18 PHE K CA ? ? 1 +18489 C CB . PHE J 9 0.7924 1.0291 1.1847 0.0981 0.0263 -0.0627 18 PHE K CB ? ? 1 +18490 C CG . PHE J 9 0.8101 1.0296 1.1911 0.1040 0.0278 -0.0652 18 PHE K CG ? ? 1 +18491 C CD1 . PHE J 9 0.8168 1.0260 1.1957 0.1040 0.0254 -0.0641 18 PHE K CD1 ? ? 1 +18492 C CD2 . PHE J 9 0.8183 1.0311 1.1901 0.1094 0.0315 -0.0687 18 PHE K CD2 ? ? 1 +18493 C CE1 . PHE J 9 0.8314 1.0238 1.1992 0.1095 0.0266 -0.0665 18 PHE K CE1 ? ? 1 +18494 C CE2 . PHE J 9 0.8384 1.0347 1.1993 0.1149 0.0328 -0.0712 18 PHE K CE2 ? ? 1 +18495 C CZ . PHE J 9 0.8444 1.0304 1.2033 0.1149 0.0302 -0.0700 18 PHE K CZ ? ? 1 +18496 C C . PHE J 9 0.7693 1.0188 1.1703 0.0830 0.0197 -0.0600 18 PHE K C ? ? 1 +18497 O O . PHE J 9 0.7573 1.0165 1.1692 0.0834 0.0194 -0.0566 18 PHE K O ? ? 1 +18498 N N . ASP J 10 0.7697 1.0224 1.1686 0.0780 0.0185 -0.0612 19 ASP K N ? ? 1 +18499 C CA . ASP J 10 0.7587 1.0274 1.1684 0.0732 0.0171 -0.0585 19 ASP K CA ? ? 1 +18500 C CB . ASP J 10 0.7859 1.0542 1.1894 0.0689 0.0159 -0.0607 19 ASP K CB ? ? 1 +18501 C CG . ASP J 10 0.8023 1.0871 1.2144 0.0679 0.0174 -0.0587 19 ASP K CG ? ? 1 +18502 O OD1 . ASP J 10 0.8286 1.1226 1.2492 0.0622 0.0142 -0.0562 19 ASP K OD1 ? ? 1 +18503 O OD2 . ASP J 10 0.8146 1.1032 1.2251 0.0728 0.0222 -0.0596 19 ASP K OD2 ? ? 1 +18504 C C . ASP J 10 0.7293 1.0011 1.1466 0.0674 0.0128 -0.0556 19 ASP K C ? ? 1 +18505 O O . ASP J 10 0.7167 1.0028 1.1461 0.0666 0.0129 -0.0523 19 ASP K O ? ? 1 +18506 N N . PRO J 11 0.7149 0.9737 1.1258 0.0628 0.0090 -0.0567 20 PRO K N ? ? 1 +18507 C CA . PRO J 11 0.6911 0.9519 1.1089 0.0574 0.0054 -0.0540 20 PRO K CA ? ? 1 +18508 C CB . PRO J 11 0.7075 0.9511 1.1146 0.0528 0.0022 -0.0568 20 PRO K CB ? ? 1 +18509 C CG . PRO J 11 0.7237 0.9602 1.1201 0.0535 0.0027 -0.0608 20 PRO K CG ? ? 1 +18510 C CD . PRO J 11 0.7287 0.9703 1.1253 0.0620 0.0079 -0.0609 20 PRO K CD ? ? 1 +18511 C C . PRO J 11 0.6699 0.9339 1.0947 0.0620 0.0070 -0.0509 20 PRO K C ? ? 1 +18512 O O . PRO J 11 0.6481 0.9193 1.0816 0.0585 0.0050 -0.0478 20 PRO K O ? ? 1 +18513 N N . LEU J 12 0.6656 0.9239 1.0861 0.0701 0.0105 -0.0519 21 LEU K N ? ? 1 +18514 C CA . LEU J 12 0.6531 0.9148 1.0798 0.0757 0.0121 -0.0492 21 LEU K CA ? ? 1 +18515 C CB . LEU J 12 0.6732 0.9221 1.0908 0.0837 0.0150 -0.0514 21 LEU K CB ? ? 1 +18516 C CG . LEU J 12 0.6716 0.9228 1.0944 0.0909 0.0166 -0.0491 21 LEU K CG ? ? 1 +18517 C CD1 . LEU J 12 0.6727 0.9179 1.0963 0.0873 0.0133 -0.0466 21 LEU K CD1 ? ? 1 +18518 C CD2 . LEU J 12 0.6878 0.9278 1.1017 0.0995 0.0198 -0.0517 21 LEU K CD2 ? ? 1 +18519 C C . LEU J 12 0.6276 0.9089 1.0672 0.0783 0.0143 -0.0468 21 LEU K C ? ? 1 +18520 O O . LEU J 12 0.6142 0.9041 1.0632 0.0783 0.0134 -0.0435 21 LEU K O ? ? 1 +18521 N N . VAL J 13 0.6173 0.9053 1.0568 0.0803 0.0171 -0.0484 22 VAL K N ? ? 1 +18522 C CA . VAL J 13 0.5990 0.9052 1.0503 0.0824 0.0196 -0.0464 22 VAL K CA ? ? 1 +18523 C CB . VAL J 13 0.5963 0.9058 1.0442 0.0853 0.0236 -0.0489 22 VAL K CB ? ? 1 +18524 C CG1 . VAL J 13 0.5776 0.9059 1.0375 0.0855 0.0258 -0.0469 22 VAL K CG1 ? ? 1 +18525 C CG2 . VAL J 13 0.6092 0.9102 1.0502 0.0937 0.0275 -0.0514 22 VAL K CG2 ? ? 1 +18526 C C . VAL J 13 0.5835 0.9014 1.0444 0.0754 0.0165 -0.0434 22 VAL K C ? ? 1 +18527 O O . VAL J 13 0.5718 0.9034 1.0440 0.0767 0.0173 -0.0407 22 VAL K O ? ? 1 +18528 N N . ASP J 14 0.5885 0.9011 1.0450 0.0679 0.0128 -0.0441 23 ASP K N ? ? 1 +18529 C CA . ASP J 14 0.5779 0.9004 1.0427 0.0609 0.0096 -0.0415 23 ASP K CA ? ? 1 +18530 C CB . ASP J 14 0.5949 0.9094 1.0528 0.0534 0.0057 -0.0434 23 ASP K CB ? ? 1 +18531 C CG . ASP J 14 0.6099 0.9259 1.0628 0.0521 0.0064 -0.0458 23 ASP K CG ? ? 1 +18532 O OD1 . ASP J 14 0.6144 0.9411 1.0718 0.0553 0.0096 -0.0451 23 ASP K OD1 ? ? 1 +18533 O OD2 . ASP J 14 0.6265 0.9330 1.0709 0.0478 0.0036 -0.0483 23 ASP K OD2 ? ? 1 +18534 C C . ASP J 14 0.5611 0.8865 1.0335 0.0600 0.0077 -0.0382 23 ASP K C ? ? 1 +18535 O O . ASP J 14 0.5405 0.8779 1.0225 0.0565 0.0063 -0.0355 23 ASP K O ? ? 1 +18536 N N . VAL J 15 0.5723 0.8862 1.0397 0.0634 0.0077 -0.0384 24 VAL K N ? ? 1 +18537 C CA . VAL J 15 0.5667 0.8803 1.0388 0.0627 0.0059 -0.0354 24 VAL K CA ? ? 1 +18538 C CB . VAL J 15 0.5891 0.8839 1.0505 0.0606 0.0040 -0.0368 24 VAL K CB ? ? 1 +18539 C CG1 . VAL J 15 0.5939 0.8861 1.0583 0.0605 0.0027 -0.0338 24 VAL K CG1 ? ? 1 +18540 C CG2 . VAL J 15 0.5939 0.8835 1.0507 0.0522 0.0011 -0.0387 24 VAL K CG2 ? ? 1 +18541 C C . VAL J 15 0.5559 0.8763 1.0344 0.0705 0.0084 -0.0335 24 VAL K C ? ? 1 +18542 O O . VAL J 15 0.5430 0.8677 1.0279 0.0701 0.0069 -0.0305 24 VAL K O ? ? 1 +18543 N N . LEU J 16 0.5544 0.8760 1.0314 0.0776 0.0120 -0.0353 25 LEU K N ? ? 1 +18544 C CA . LEU J 16 0.5501 0.8771 1.0325 0.0857 0.0142 -0.0341 25 LEU K CA ? ? 1 +18545 C CB . LEU J 16 0.5557 0.8839 1.0358 0.0927 0.0185 -0.0369 25 LEU K CB ? ? 1 +18546 C CG . LEU J 16 0.5743 0.8849 1.0408 0.0960 0.0196 -0.0402 25 LEU K CG ? ? 1 +18547 C CD1 . LEU J 16 0.5799 0.8931 1.0458 0.1042 0.0242 -0.0424 25 LEU K CD1 ? ? 1 +18548 C CD2 . LEU J 16 0.5856 0.8821 1.0461 0.0974 0.0175 -0.0394 25 LEU K CD2 ? ? 1 +18549 C C . LEU J 16 0.5313 0.8758 1.0275 0.0852 0.0137 -0.0309 25 LEU K C ? ? 1 +18550 O O . LEU J 16 0.5274 0.8734 1.0277 0.0888 0.0130 -0.0288 25 LEU K O ? ? 1 +18551 N N . PRO J 17 0.5181 0.8756 1.0212 0.0810 0.0140 -0.0303 26 PRO K N ? ? 1 +18552 C CA . PRO J 17 0.5024 0.8766 1.0185 0.0806 0.0137 -0.0275 26 PRO K CA ? ? 1 +18553 C CB . PRO J 17 0.4911 0.8743 1.0104 0.0747 0.0139 -0.0277 26 PRO K CB ? ? 1 +18554 C CG . PRO J 17 0.5020 0.8762 1.0111 0.0755 0.0159 -0.0312 26 PRO K CG ? ? 1 +18555 C CD . PRO J 17 0.5185 0.8751 1.0169 0.0766 0.0145 -0.0325 26 PRO K CD ? ? 1 +18556 C C . PRO J 17 0.5000 0.8746 1.0203 0.0778 0.0103 -0.0242 26 PRO K C ? ? 1 +18557 O O . PRO J 17 0.4917 0.8773 1.0213 0.0802 0.0102 -0.0220 26 PRO K O ? ? 1 +18558 N N . VAL J 18 0.5100 0.8725 1.0232 0.0725 0.0075 -0.0241 27 VAL K N ? ? 1 +18559 C CA . VAL J 18 0.5078 0.8696 1.0239 0.0688 0.0045 -0.0211 27 VAL K CA ? ? 1 +18560 C CB . VAL J 18 0.5202 0.8723 1.0301 0.0604 0.0018 -0.0216 27 VAL K CB ? ? 1 +18561 C CG1 . VAL J 18 0.5418 0.8753 1.0391 0.0614 0.0019 -0.0241 27 VAL K CG1 ? ? 1 +18562 C CG2 . VAL J 18 0.5179 0.8717 1.0322 0.0554 -0.0010 -0.0185 27 VAL K CG2 ? ? 1 +18563 C C . VAL J 18 0.5121 0.8665 1.0259 0.0748 0.0044 -0.0199 27 VAL K C ? ? 1 +18564 O O . VAL J 18 0.5050 0.8621 1.0231 0.0738 0.0025 -0.0170 27 VAL K O ? ? 1 +18565 N N . ILE J 19 0.5269 0.8719 1.0336 0.0814 0.0064 -0.0221 28 ILE K N ? ? 1 +18566 C CA . ILE J 19 0.5395 0.8742 1.0415 0.0871 0.0061 -0.0213 28 ILE K CA ? ? 1 +18567 C CB . ILE J 19 0.5534 0.8781 1.0470 0.0943 0.0087 -0.0244 28 ILE K CB ? ? 1 +18568 C CG1 . ILE J 19 0.5634 0.8735 1.0455 0.0899 0.0086 -0.0272 28 ILE K CG1 ? ? 1 +18569 C CG2 . ILE J 19 0.5665 0.8825 1.0563 0.1019 0.0085 -0.0235 28 ILE K CG2 ? ? 1 +18570 C CD1 . ILE J 19 0.5777 0.8774 1.0508 0.0962 0.0112 -0.0305 28 ILE K CD1 ? ? 1 +18571 C C . ILE J 19 0.5361 0.8815 1.0472 0.0916 0.0054 -0.0184 28 ILE K C ? ? 1 +18572 O O . ILE J 19 0.5428 0.8804 1.0509 0.0930 0.0038 -0.0164 28 ILE K O ? ? 1 +18573 N N . PRO J 20 0.5274 0.8902 1.0495 0.0941 0.0068 -0.0181 29 PRO K N ? ? 1 +18574 C CA . PRO J 20 0.5187 0.8928 1.0503 0.0974 0.0057 -0.0155 29 PRO K CA ? ? 1 +18575 C CB . PRO J 20 0.5047 0.8971 1.0473 0.0978 0.0077 -0.0162 29 PRO K CB ? ? 1 +18576 C CG . PRO J 20 0.5132 0.9014 1.0503 0.0996 0.0108 -0.0196 29 PRO K CG ? ? 1 +18577 C CD . PRO J 20 0.5213 0.8934 1.0469 0.0942 0.0095 -0.0204 29 PRO K CD ? ? 1 +18578 C C . PRO J 20 0.5136 0.8877 1.0472 0.0915 0.0025 -0.0121 29 PRO K C ? ? 1 +18579 O O . PRO J 20 0.5158 0.8893 1.0507 0.0951 0.0010 -0.0100 29 PRO K O ? ? 1 +18580 N N . VAL J 21 0.5082 0.8830 1.0418 0.0828 0.0015 -0.0118 30 VAL K N ? ? 1 +18581 C CA . VAL J 21 0.5042 0.8781 1.0392 0.0766 -0.0012 -0.0089 30 VAL K CA ? ? 1 +18582 C CB . VAL J 21 0.5067 0.8833 1.0426 0.0672 -0.0020 -0.0093 30 VAL K CB ? ? 1 +18583 C CG1 . VAL J 21 0.5100 0.8812 1.0445 0.0605 -0.0045 -0.0070 30 VAL K CG1 ? ? 1 +18584 C CG2 . VAL J 21 0.4958 0.8904 1.0424 0.0659 -0.0013 -0.0091 30 VAL K CG2 ? ? 1 +18585 C C . VAL J 21 0.5101 0.8667 1.0352 0.0772 -0.0024 -0.0080 30 VAL K C ? ? 1 +18586 O O . VAL J 21 0.5064 0.8623 1.0328 0.0757 -0.0042 -0.0051 30 VAL K O ? ? 1 +18587 N N . LEU J 22 0.5198 0.8618 1.0345 0.0791 -0.0013 -0.0104 31 LEU K N ? ? 1 +18588 C CA . LEU J 22 0.5312 0.8550 1.0353 0.0793 -0.0022 -0.0098 31 LEU K CA ? ? 1 +18589 C CB . LEU J 22 0.5468 0.8561 1.0402 0.0796 -0.0008 -0.0132 31 LEU K CB ? ? 1 +18590 C CG . LEU J 22 0.5447 0.8528 1.0364 0.0707 -0.0014 -0.0150 31 LEU K CG ? ? 1 +18591 C CD1 . LEU J 22 0.5597 0.8546 1.0409 0.0717 -0.0001 -0.0187 31 LEU K CD1 ? ? 1 +18592 C CD2 . LEU J 22 0.5465 0.8483 1.0364 0.0627 -0.0035 -0.0131 31 LEU K CD2 ? ? 1 +18593 C C . LEU J 22 0.5310 0.8523 1.0345 0.0876 -0.0024 -0.0079 31 LEU K C ? ? 1 +18594 O O . LEU J 22 0.5404 0.8501 1.0378 0.0869 -0.0036 -0.0059 31 LEU K O ? ? 1 +18595 N N . PHE J 23 0.5182 0.8503 1.0280 0.0952 -0.0013 -0.0086 32 PHE K N ? ? 1 +18596 C CA . PHE J 23 0.5186 0.8504 1.0290 0.1035 -0.0020 -0.0070 32 PHE K CA ? ? 1 +18597 C CB . PHE J 23 0.5132 0.8574 1.0309 0.1118 -0.0003 -0.0088 32 PHE K CB ? ? 1 +18598 C CG . PHE J 23 0.5245 0.8583 1.0342 0.1179 0.0019 -0.0119 32 PHE K CG ? ? 1 +18599 C CD1 . PHE J 23 0.5376 0.8598 1.0401 0.1259 0.0016 -0.0119 32 PHE K CD1 ? ? 1 +18600 C CD2 . PHE J 23 0.5238 0.8586 1.0324 0.1156 0.0043 -0.0150 32 PHE K CD2 ? ? 1 +18601 C CE1 . PHE J 23 0.5515 0.8639 1.0465 0.1318 0.0038 -0.0148 32 PHE K CE1 ? ? 1 +18602 C CE2 . PHE J 23 0.5387 0.8637 1.0396 0.1214 0.0065 -0.0179 32 PHE K CE2 ? ? 1 +18603 C CZ . PHE J 23 0.5522 0.8662 1.0465 0.1295 0.0063 -0.0179 32 PHE K CZ ? ? 1 +18604 C C . PHE J 23 0.5086 0.8473 1.0249 0.1011 -0.0044 -0.0033 32 PHE K C ? ? 1 +18605 O O . PHE J 23 0.5176 0.8480 1.0292 0.1048 -0.0057 -0.0013 32 PHE K O ? ? 1 +18606 N N . LEU J 24 0.4931 0.8465 1.0191 0.0952 -0.0048 -0.0025 33 LEU K N ? ? 1 +18607 C CA . LEU J 24 0.4851 0.8454 1.0167 0.0922 -0.0070 0.0008 33 LEU K CA ? ? 1 +18608 C CB . LEU J 24 0.4636 0.8417 1.0067 0.0866 -0.0070 0.0011 33 LEU K CB ? ? 1 +18609 C CG . LEU J 24 0.4523 0.8372 1.0008 0.0821 -0.0091 0.0043 33 LEU K CG ? ? 1 +18610 C CD1 . LEU J 24 0.4510 0.8416 1.0036 0.0892 -0.0105 0.0062 33 LEU K CD1 ? ? 1 +18611 C CD2 . LEU J 24 0.4342 0.8344 0.9925 0.0758 -0.0090 0.0042 33 LEU K CD2 ? ? 1 +18612 C C . LEU J 24 0.4997 0.8451 1.0226 0.0862 -0.0081 0.0027 33 LEU K C ? ? 1 +18613 O O . LEU J 24 0.5054 0.8471 1.0266 0.0876 -0.0096 0.0055 33 LEU K O ? ? 1 +18614 N N . ALA J 25 0.5092 0.8463 1.0267 0.0796 -0.0074 0.0011 34 ALA K N ? ? 1 +18615 C CA . ALA J 25 0.5220 0.8444 1.0312 0.0735 -0.0080 0.0024 34 ALA K CA ? ? 1 +18616 C CB . ALA J 25 0.5262 0.8437 1.0321 0.0660 -0.0074 -0.0001 34 ALA K CB ? ? 1 +18617 C C . ALA J 25 0.5382 0.8425 1.0359 0.0790 -0.0079 0.0030 34 ALA K C ? ? 1 +18618 O O . ALA J 25 0.5407 0.8356 1.0334 0.0766 -0.0086 0.0055 34 ALA K O ? ? 1 +18619 N N . LEU J 26 0.5476 0.8468 1.0409 0.0865 -0.0067 0.0007 35 LEU K N ? ? 1 +18620 C CA . LEU J 26 0.5655 0.8473 1.0476 0.0927 -0.0065 0.0011 35 LEU K CA ? ? 1 +18621 C CB . LEU J 26 0.5749 0.8534 1.0535 0.1006 -0.0049 -0.0022 35 LEU K CB ? ? 1 +18622 C CG . LEU J 26 0.5964 0.8549 1.0619 0.1069 -0.0045 -0.0024 35 LEU K CG ? ? 1 +18623 C CD1 . LEU J 26 0.6104 0.8497 1.0643 0.0998 -0.0042 -0.0026 35 LEU K CD1 ? ? 1 +18624 C CD2 . LEU J 26 0.6028 0.8604 1.0663 0.1149 -0.0028 -0.0057 35 LEU K CD2 ? ? 1 +18625 C C . LEU J 26 0.5620 0.8452 1.0452 0.0983 -0.0081 0.0044 35 LEU K C ? ? 1 +18626 O O . LEU J 26 0.5763 0.8436 1.0495 0.0999 -0.0084 0.0061 35 LEU K O ? ? 1 +18627 N N . ALA J 27 0.5429 0.8446 1.0377 0.1011 -0.0090 0.0053 36 ALA K N ? ? 1 +18628 C CA . ALA J 27 0.5402 0.8450 1.0370 0.1061 -0.0109 0.0083 36 ALA K CA ? ? 1 +18629 C CB . ALA J 27 0.5199 0.8471 1.0310 0.1080 -0.0118 0.0085 36 ALA K CB ? ? 1 +18630 C C . ALA J 27 0.5439 0.8397 1.0356 0.0997 -0.0119 0.0116 36 ALA K C ? ? 1 +18631 O O . ALA J 27 0.5537 0.8400 1.0388 0.1041 -0.0129 0.0139 36 ALA K O ? ? 1 +18632 N N . PHE J 28 0.5359 0.8346 1.0304 0.0896 -0.0114 0.0116 37 PHE K N ? ? 1 +18633 C CA . PHE J 28 0.5405 0.8320 1.0313 0.0827 -0.0119 0.0145 37 PHE K CA ? ? 1 +18634 C CB . PHE J 28 0.5296 0.8327 1.0289 0.0727 -0.0118 0.0145 37 PHE K CB ? ? 1 +18635 C CG . PHE J 28 0.5159 0.8394 1.0279 0.0739 -0.0131 0.0155 37 PHE K CG ? ? 1 +18636 C CD1 . PHE J 28 0.5080 0.8458 1.0286 0.0775 -0.0129 0.0133 37 PHE K CD1 ? ? 1 +18637 C CD2 . PHE J 28 0.5121 0.8402 1.0272 0.0718 -0.0143 0.0188 37 PHE K CD2 ? ? 1 +18638 C CE1 . PHE J 28 0.4931 0.8493 1.0252 0.0785 -0.0140 0.0141 37 PHE K CE1 ? ? 1 +18639 C CE2 . PHE J 28 0.4985 0.8449 1.0249 0.0731 -0.0156 0.0196 37 PHE K CE2 ? ? 1 +18640 C CZ . PHE J 28 0.4879 0.8482 1.0229 0.0763 -0.0154 0.0172 37 PHE K CZ ? ? 1 +18641 C C . PHE J 28 0.5584 0.8271 1.0351 0.0807 -0.0108 0.0145 37 PHE K C ? ? 1 +18642 O O . PHE J 28 0.5655 0.8239 1.0358 0.0794 -0.0110 0.0174 37 PHE K O ? ? 1 +18643 N N . VAL J 29 0.5673 0.8275 1.0386 0.0805 -0.0094 0.0114 38 VAL K N ? ? 1 +18644 C CA . VAL J 29 0.5896 0.8274 1.0470 0.0795 -0.0083 0.0110 38 VAL K CA ? ? 1 +18645 C CB . VAL J 29 0.5982 0.8298 1.0516 0.0784 -0.0070 0.0070 38 VAL K CB ? ? 1 +18646 C CG1 . VAL J 29 0.6220 0.8295 1.0604 0.0783 -0.0058 0.0064 38 VAL K CG1 ? ? 1 +18647 C CG2 . VAL J 29 0.5875 0.8286 1.0479 0.0686 -0.0069 0.0053 38 VAL K CG2 ? ? 1 +18648 C C . VAL J 29 0.6069 0.8334 1.0559 0.0891 -0.0087 0.0128 38 VAL K C ? ? 1 +18649 O O . VAL J 29 0.6211 0.8318 1.0602 0.0878 -0.0084 0.0150 38 VAL K O ? ? 1 +18650 N N . TRP J 30 0.6087 0.8434 1.0616 0.0988 -0.0093 0.0117 39 TRP K N ? ? 1 +18651 C CA . TRP J 30 0.6228 0.8495 1.0692 0.1091 -0.0102 0.0132 39 TRP K CA ? ? 1 +18652 C CB . TRP J 30 0.6194 0.8598 1.0736 0.1185 -0.0108 0.0111 39 TRP K CB ? ? 1 +18653 C CG . TRP J 30 0.6302 0.8683 1.0816 0.1295 -0.0125 0.0127 39 TRP K CG ? ? 1 +18654 C CD1 . TRP J 30 0.6548 0.8734 1.0928 0.1355 -0.0126 0.0137 39 TRP K CD1 ? ? 1 +18655 N NE1 . TRP J 30 0.6575 0.8811 1.0974 0.1456 -0.0148 0.0149 39 TRP K NE1 ? ? 1 +18656 C CE2 . TRP J 30 0.6362 0.8830 1.0913 0.1458 -0.0160 0.0146 39 TRP K CE2 ? ? 1 +18657 C CZ2 . TRP J 30 0.6298 0.8903 1.0928 0.1540 -0.0184 0.0153 39 TRP K CZ2 ? ? 1 +18658 C CH2 . TRP J 30 0.6067 0.8900 1.0852 0.1515 -0.0190 0.0146 39 TRP K CH2 ? ? 1 +18659 C CZ3 . TRP J 30 0.5917 0.8838 1.0771 0.1415 -0.0172 0.0135 39 TRP K CZ3 ? ? 1 +18660 C CE3 . TRP J 30 0.5977 0.8766 1.0752 0.1339 -0.0151 0.0128 39 TRP K CE3 ? ? 1 +18661 C CD2 . TRP J 30 0.6186 0.8747 1.0810 0.1357 -0.0144 0.0133 39 TRP K CD2 ? ? 1 +18662 C C . TRP J 30 0.6230 0.8497 1.0690 0.1092 -0.0118 0.0173 39 TRP K C ? ? 1 +18663 O O . TRP J 30 0.6401 0.8495 1.0744 0.1119 -0.0119 0.0193 39 TRP K O ? ? 1 +18664 N N . GLN J 31 0.6069 0.8523 1.0651 0.1062 -0.0131 0.0186 40 GLN K N ? ? 1 +18665 C CA . GLN J 31 0.6094 0.8561 1.0677 0.1066 -0.0147 0.0224 40 GLN K CA ? ? 1 +18666 C CB . GLN J 31 0.5885 0.8583 1.0617 0.1045 -0.0161 0.0230 40 GLN K CB ? ? 1 +18667 C CG . GLN J 31 0.5857 0.8698 1.0670 0.1142 -0.0178 0.0219 40 GLN K CG ? ? 1 +18668 C CD . GLN J 31 0.6032 0.8786 1.0772 0.1244 -0.0197 0.0236 40 GLN K CD ? ? 1 +18669 O OE1 . GLN J 31 0.6162 0.8851 1.0854 0.1327 -0.0197 0.0219 40 GLN K OE1 ? ? 1 +18670 N NE2 . GLN J 31 0.6071 0.8822 1.0797 0.1244 -0.0214 0.0269 40 GLN K NE2 ? ? 1 +18671 C C . GLN J 31 0.6240 0.8552 1.0730 0.0985 -0.0135 0.0248 40 GLN K C ? ? 1 +18672 O O . GLN J 31 0.6346 0.8567 1.0765 0.1009 -0.0142 0.0279 40 GLN K O ? ? 1 +18673 N N . ALA J 32 0.6293 0.8575 1.0783 0.0889 -0.0117 0.0232 41 ALA K N ? ? 1 +18674 C CA . ALA J 32 0.6441 0.8575 1.0848 0.0806 -0.0102 0.0250 41 ALA K CA ? ? 1 +18675 C CB . ALA J 32 0.6376 0.8543 1.0828 0.0700 -0.0088 0.0226 41 ALA K CB ? ? 1 +18676 C C . ALA J 32 0.6715 0.8606 1.0960 0.0845 -0.0091 0.0254 41 ALA K C ? ? 1 +18677 O O . ALA J 32 0.6833 0.8588 1.0991 0.0820 -0.0083 0.0283 41 ALA K O ? ? 1 +18678 N N . ALA J 33 0.6851 0.8684 1.1055 0.0909 -0.0089 0.0227 42 ALA K N ? ? 1 +18679 C CA . ALA J 33 0.7138 0.8740 1.1186 0.0958 -0.0079 0.0228 42 ALA K CA ? ? 1 +18680 C CB . ALA J 33 0.7188 0.8762 1.1217 0.1010 -0.0074 0.0189 42 ALA K CB ? ? 1 +18681 C C . ALA J 33 0.7281 0.8813 1.1261 0.1050 -0.0093 0.0261 42 ALA K C ? ? 1 +18682 O O . ALA J 33 0.7545 0.8864 1.1382 0.1066 -0.0084 0.0275 42 ALA K O ? ? 1 +18683 N N . VAL J 34 0.7169 0.8871 1.1243 0.1113 -0.0117 0.0271 43 VAL K N ? ? 1 +18684 C CA . VAL J 34 0.7278 0.8924 1.1290 0.1202 -0.0136 0.0301 43 VAL K CA ? ? 1 +18685 C CB . VAL J 34 0.7265 0.9018 1.1331 0.1326 -0.0159 0.0284 43 VAL K CB ? ? 1 +18686 C CG1 . VAL J 34 0.7383 0.9056 1.1404 0.1369 -0.0146 0.0248 43 VAL K CG1 ? ? 1 +18687 C CG2 . VAL J 34 0.7035 0.9057 1.1279 0.1322 -0.0175 0.0275 43 VAL K CG2 ? ? 1 +18688 C C . VAL J 34 0.7181 0.8901 1.1234 0.1161 -0.0146 0.0337 43 VAL K C ? ? 1 +18689 O O . VAL J 34 0.7212 0.8949 1.1251 0.1235 -0.0169 0.0360 43 VAL K O ? ? 1 +18690 N N . GLY J 35 0.7073 0.8835 1.1173 0.1045 -0.0130 0.0340 44 GLY K N ? ? 1 +18691 C CA . GLY J 35 0.7027 0.8816 1.1139 0.0990 -0.0131 0.0375 44 GLY K CA ? ? 1 +18692 C C . GLY J 35 0.6865 0.8884 1.1115 0.1009 -0.0156 0.0383 44 GLY K C ? ? 1 +18693 O O . GLY J 35 0.6790 0.8823 1.1036 0.0992 -0.0163 0.0414 44 GLY K O ? ? 1 +18694 N N . PHE J 36 0.6807 0.9002 1.1176 0.1040 -0.0169 0.0353 45 PHE K N ? ? 1 +18695 C CA . PHE J 36 0.6616 0.9034 1.1122 0.1062 -0.0192 0.0355 45 PHE K CA ? ? 1 +18696 C CB . PHE J 36 0.6476 0.9005 1.1067 0.0954 -0.0184 0.0365 45 PHE K CB ? ? 1 +18697 C CG . PHE J 36 0.6397 0.8981 1.1050 0.0870 -0.0165 0.0337 45 PHE K CG ? ? 1 +18698 C CD1 . PHE J 36 0.6267 0.9023 1.1038 0.0880 -0.0171 0.0308 45 PHE K CD1 ? ? 1 +18699 C CD2 . PHE J 36 0.6493 0.8954 1.1085 0.0779 -0.0141 0.0339 45 PHE K CD2 ? ? 1 +18700 C CE1 . PHE J 36 0.6205 0.9006 1.1025 0.0805 -0.0155 0.0282 45 PHE K CE1 ? ? 1 +18701 C CE2 . PHE J 36 0.6427 0.8941 1.1076 0.0703 -0.0128 0.0311 45 PHE K CE2 ? ? 1 +18702 C CZ . PHE J 36 0.6277 0.8958 1.1035 0.0718 -0.0136 0.0284 45 PHE K CZ ? ? 1 +18703 C C . PHE J 36 0.6658 0.9064 1.1127 0.1151 -0.0219 0.0382 45 PHE K C ? ? 1 +18704 O O . PHE J 36 0.6531 0.9047 1.1060 0.1138 -0.0235 0.0402 45 PHE K O ? ? 1 +18705 N N . ARG J 37 0.6886 0.9154 1.1250 0.1242 -0.0226 0.0382 46 ARG K N ? ? 1 +18706 C CA . ARG J 37 0.7083 0.9305 1.1387 0.1332 -0.0254 0.0408 46 ARG K CA ? ? 1 +18707 C CB . ARG J 37 0.7458 0.9479 1.1619 0.1417 -0.0253 0.0405 46 ARG K CB ? ? 1 +18708 C CG . ARG J 37 0.7557 0.9652 1.1776 0.1490 -0.0259 0.0367 46 ARG K CG ? ? 1 +18709 C CD . ARG J 37 0.7863 0.9751 1.1944 0.1551 -0.0248 0.0357 46 ARG K CD ? ? 1 +18710 N NE . ARG J 37 0.7959 0.9940 1.2113 0.1602 -0.0246 0.0317 46 ARG K NE ? ? 1 +18711 C CZ . ARG J 37 0.8168 1.0013 1.2234 0.1661 -0.0236 0.0298 46 ARG K CZ ? ? 1 +18712 N NH1 . ARG J 37 0.8379 0.9982 1.2276 0.1684 -0.0229 0.0315 46 ARG K NH1 ? ? 1 +18713 N NH2 . ARG J 37 0.8121 1.0070 1.2267 0.1694 -0.0230 0.0259 46 ARG K NH2 ? ? 1 +18714 C C . ARG J 37 0.6872 0.9319 1.1312 0.1400 -0.0288 0.0398 46 ARG K C ? ? 1 +18715 O O . ARG J 37 0.6682 0.9286 1.1241 0.1404 -0.0288 0.0366 46 ARG K O ? ? 1 +18716 O OXT . ARG J 37 0.6793 0.9258 1.1219 0.1448 -0.0316 0.0421 46 ARG K OXT ? ? 1 +18717 N N . GLU K 1 1.1033 1.5486 1.5274 -0.0050 0.0545 0.0927 2 GLU L N ? ? 1 +18718 C CA . GLU K 1 1.0852 1.5295 1.5149 -0.0095 0.0595 0.0943 2 GLU L CA ? ? 1 +18719 C CB . GLU K 1 1.0670 1.5204 1.5092 -0.0149 0.0671 0.0934 2 GLU L CB ? ? 1 +18720 C CG . GLU K 1 1.0762 1.5243 1.5183 -0.0197 0.0753 0.0956 2 GLU L CG ? ? 1 +18721 C CD . GLU K 1 1.0948 1.5531 1.5506 -0.0250 0.0825 0.0943 2 GLU L CD ? ? 1 +18722 O OE1 . GLU K 1 1.0717 1.5443 1.5438 -0.0264 0.0796 0.0916 2 GLU L OE1 ? ? 1 +18723 O OE2 . GLU K 1 1.1183 1.5704 1.5686 -0.0279 0.0912 0.0960 2 GLU L OE2 ? ? 1 +18724 C C . GLU K 1 1.0556 1.5058 1.4952 -0.0093 0.0527 0.0935 2 GLU L C ? ? 1 +18725 O O . GLU K 1 1.0437 1.5066 1.5001 -0.0124 0.0519 0.0915 2 GLU L O ? ? 1 +18726 N N . PRO K 2 0.9948 1.4360 1.4243 -0.0054 0.0473 0.0948 3 PRO L N ? ? 1 +18727 C CA . PRO K 2 0.9346 1.3813 1.3729 -0.0046 0.0406 0.0939 3 PRO L CA ? ? 1 +18728 C CB . PRO K 2 0.9544 1.3899 1.3773 0.0014 0.0347 0.0952 3 PRO L CB ? ? 1 +18729 C CG . PRO K 2 0.9864 1.4069 1.3915 0.0021 0.0408 0.0981 3 PRO L CG ? ? 1 +18730 C CD . PRO K 2 1.0035 1.4288 1.4122 -0.0012 0.0475 0.0973 3 PRO L CD ? ? 1 +18731 C C . PRO K 2 0.8669 1.3139 1.3128 -0.0092 0.0447 0.0950 3 PRO L C ? ? 1 +18732 O O . PRO K 2 0.8635 1.2987 1.2995 -0.0103 0.0498 0.0978 3 PRO L O ? ? 1 +18733 N N . ASN K 3 0.7764 1.2364 1.2395 -0.0118 0.0422 0.0928 4 ASN L N ? ? 1 +18734 C CA . ASN K 3 0.7135 1.1748 1.1849 -0.0160 0.0449 0.0934 4 ASN L CA ? ? 1 +18735 C CB . ASN K 3 0.6645 1.1421 1.1555 -0.0191 0.0431 0.0904 4 ASN L CB ? ? 1 +18736 C CG . ASN K 3 0.6397 1.1197 1.1402 -0.0243 0.0470 0.0907 4 ASN L CG ? ? 1 +18737 O OD1 . ASN K 3 0.6296 1.1051 1.1290 -0.0239 0.0448 0.0916 4 ASN L OD1 ? ? 1 +18738 N ND2 . ASN K 3 0.6240 1.1111 1.1342 -0.0290 0.0527 0.0898 4 ASN L ND2 ? ? 1 +18739 C C . ASN K 3 0.6926 1.1457 1.1573 -0.0130 0.0403 0.0948 4 ASN L C ? ? 1 +18740 O O . ASN K 3 0.6750 1.1319 1.1416 -0.0091 0.0326 0.0934 4 ASN L O ? ? 1 +18741 N N . PRO K 4 0.6954 1.1371 1.1525 -0.0147 0.0450 0.0975 5 PRO L N ? ? 1 +18742 C CA . PRO K 4 0.6912 1.1235 1.1402 -0.0114 0.0409 0.0990 5 PRO L CA ? ? 1 +18743 C CB . PRO K 4 0.7100 1.1272 1.1466 -0.0137 0.0486 0.1023 5 PRO L CB ? ? 1 +18744 C CG . PRO K 4 0.6998 1.1240 1.1468 -0.0205 0.0565 0.1017 5 PRO L CG ? ? 1 +18745 C CD . PRO K 4 0.6912 1.1284 1.1470 -0.0200 0.0545 0.0990 5 PRO L CD ? ? 1 +18746 C C . PRO K 4 0.6695 1.1094 1.1314 -0.0126 0.0369 0.0975 5 PRO L C ? ? 1 +18747 O O . PRO K 4 0.6931 1.1263 1.1493 -0.0094 0.0329 0.0985 5 PRO L O ? ? 1 +18748 N N . ASN K 5 0.6349 1.0886 1.1137 -0.0170 0.0379 0.0952 6 ASN L N ? ? 1 +18749 C CA . ASN K 5 0.6112 1.0719 1.1024 -0.0189 0.0352 0.0938 6 ASN L CA ? ? 1 +18750 C CB . ASN K 5 0.5885 1.0581 1.0934 -0.0256 0.0408 0.0926 6 ASN L CB ? ? 1 +18751 C CG . ASN K 5 0.5802 1.0405 1.0788 -0.0298 0.0493 0.0948 6 ASN L CG ? ? 1 +18752 O OD1 . ASN K 5 0.5857 1.0369 1.0796 -0.0312 0.0515 0.0965 6 ASN L OD1 ? ? 1 +18753 N ND2 . ASN K 5 0.5757 1.0377 1.0737 -0.0318 0.0546 0.0949 6 ASN L ND2 ? ? 1 +18754 C C . ASN K 5 0.6037 1.0751 1.1034 -0.0155 0.0269 0.0912 6 ASN L C ? ? 1 +18755 O O . ASN K 5 0.5936 1.0708 1.1028 -0.0164 0.0241 0.0900 6 ASN L O ? ? 1 +18756 N N . ARG K 6 0.6351 1.1089 1.1310 -0.0118 0.0233 0.0903 7 ARG L N ? ? 1 +18757 C CA . ARG K 6 0.6749 1.1579 1.1777 -0.0085 0.0156 0.0879 7 ARG L CA ? ? 1 +18758 C CB . ARG K 6 0.7694 1.2530 1.2659 -0.0049 0.0127 0.0871 7 ARG L CB ? ? 1 +18759 C CG . ARG K 6 0.8424 1.3319 1.3431 -0.0079 0.0171 0.0862 7 ARG L CG ? ? 1 +18760 C CD . ARG K 6 0.9495 1.4396 1.4441 -0.0040 0.0133 0.0851 7 ARG L CD ? ? 1 +18761 N NE . ARG K 6 1.0452 1.5221 1.5224 -0.0011 0.0153 0.0874 7 ARG L NE ? ? 1 +18762 C CZ . ARG K 6 1.1117 1.5854 1.5826 -0.0019 0.0201 0.0879 7 ARG L CZ ? ? 1 +18763 N NH1 . ARG K 6 1.1010 1.5836 1.5817 -0.0055 0.0239 0.0865 7 ARG L NH1 ? ? 1 +18764 N NH2 . ARG K 6 1.1404 1.6015 1.5944 0.0014 0.0210 0.0899 7 ARG L NH2 ? ? 1 +18765 C C . ARG K 6 0.6424 1.1205 1.1413 -0.0047 0.0103 0.0884 7 ARG L C ? ? 1 +18766 O O . ARG K 6 0.6444 1.1095 1.1303 -0.0025 0.0113 0.0909 7 ARG L O ? ? 1 +18767 N N . GLN K 7 0.5937 1.0819 1.1039 -0.0039 0.0049 0.0861 8 GLN L N ? ? 1 +18768 C CA . GLN K 7 0.5711 1.0571 1.0805 -0.0005 -0.0003 0.0860 8 GLN L CA ? ? 1 +18769 C CB . GLN K 7 0.5888 1.0751 1.1053 -0.0041 0.0024 0.0863 8 GLN L CB ? ? 1 +18770 C CG . GLN K 7 0.6136 1.0862 1.1198 -0.0058 0.0081 0.0894 8 GLN L CG ? ? 1 +18771 C CD . GLN K 7 0.6470 1.1080 1.1409 -0.0005 0.0047 0.0911 8 GLN L CD ? ? 1 +18772 O OE1 . GLN K 7 0.6608 1.1247 1.1548 0.0045 -0.0020 0.0899 8 GLN L OE1 ? ? 1 +18773 N NE2 . GLN K 7 0.6727 1.1202 1.1558 -0.0013 0.0093 0.0938 8 GLN L NE2 ? ? 1 +18774 C C . GLN K 7 0.5179 1.0156 1.0365 0.0020 -0.0072 0.0831 8 GLN L C ? ? 1 +18775 O O . GLN K 7 0.4974 1.0063 1.0278 -0.0009 -0.0070 0.0810 8 GLN L O ? ? 1 +18776 N N . PRO K 8 0.4805 0.9761 0.9943 0.0075 -0.0134 0.0827 9 PRO L N ? ? 1 +18777 C CA . PRO K 8 0.4492 0.9562 0.9726 0.0095 -0.0198 0.0798 9 PRO L CA ? ? 1 +18778 C CB . PRO K 8 0.4593 0.9601 0.9728 0.0159 -0.0255 0.0800 9 PRO L CB ? ? 1 +18779 C CG . PRO K 8 0.4795 0.9662 0.9810 0.0171 -0.0225 0.0832 9 PRO L CG ? ? 1 +18780 C CD . PRO K 8 0.4940 0.9762 0.9928 0.0121 -0.0147 0.0850 9 PRO L CD ? ? 1 +18781 C C . PRO K 8 0.4208 0.9358 0.9574 0.0071 -0.0205 0.0783 9 PRO L C ? ? 1 +18782 O O . PRO K 8 0.4379 0.9474 0.9733 0.0062 -0.0184 0.0797 9 PRO L O ? ? 1 +18783 N N . VAL K 9 0.3867 0.9142 0.9351 0.0059 -0.0232 0.0756 10 VAL L N ? ? 1 +18784 C CA . VAL K 9 0.3579 0.8939 0.9189 0.0039 -0.0243 0.0740 10 VAL L CA ? ? 1 +18785 C CB . VAL K 9 0.3425 0.8889 0.9149 -0.0007 -0.0221 0.0722 10 VAL L CB ? ? 1 +18786 C CG1 . VAL K 9 0.3302 0.8841 0.9146 -0.0031 -0.0224 0.0708 10 VAL L CG1 ? ? 1 +18787 C CG2 . VAL K 9 0.3471 0.8894 0.9162 -0.0044 -0.0157 0.0738 10 VAL L CG2 ? ? 1 +18788 C C . VAL K 9 0.3379 0.8787 0.9020 0.0082 -0.0309 0.0721 10 VAL L C ? ? 1 +18789 O O . VAL K 9 0.3363 0.8789 0.8976 0.0113 -0.0349 0.0710 10 VAL L O ? ? 1 +18790 N N . GLU K 10 0.3232 0.8662 0.8933 0.0083 -0.0320 0.0715 11 GLU L N ? ? 1 +18791 C CA . GLU K 10 0.3108 0.8592 0.8852 0.0121 -0.0379 0.0696 11 GLU L CA ? ? 1 +18792 C CB . GLU K 10 0.3271 0.8662 0.8926 0.0169 -0.0400 0.0710 11 GLU L CB ? ? 1 +18793 C CG . GLU K 10 0.3350 0.8685 0.9005 0.0151 -0.0366 0.0725 11 GLU L CG ? ? 1 +18794 C CD . GLU K 10 0.3446 0.8713 0.9041 0.0203 -0.0398 0.0732 11 GLU L CD ? ? 1 +18795 O OE1 . GLU K 10 0.3587 0.8739 0.9052 0.0234 -0.0396 0.0754 11 GLU L OE1 ? ? 1 +18796 O OE2 . GLU K 10 0.3376 0.8703 0.9050 0.0215 -0.0424 0.0714 11 GLU L OE2 ? ? 1 +18797 C C . GLU K 10 0.2854 0.8435 0.8731 0.0094 -0.0381 0.0676 11 GLU L C ? ? 1 +18798 O O . GLU K 10 0.2823 0.8399 0.8738 0.0056 -0.0340 0.0683 11 GLU L O ? ? 1 +18799 N N . LEU K 11 0.2648 0.8316 0.8594 0.0115 -0.0428 0.0651 12 LEU L N ? ? 1 +18800 C CA . LEU K 11 0.2459 0.8207 0.8514 0.0104 -0.0439 0.0633 12 LEU L CA ? ? 1 +18801 C CB . LEU K 11 0.2339 0.8186 0.8495 0.0062 -0.0427 0.0615 12 LEU L CB ? ? 1 +18802 C CG . LEU K 11 0.2278 0.8194 0.8538 0.0046 -0.0428 0.0599 12 LEU L CG ? ? 1 +18803 C CD1 . LEU K 11 0.2276 0.8166 0.8555 0.0004 -0.0380 0.0611 12 LEU L CD1 ? ? 1 +18804 C CD2 . LEU K 11 0.2185 0.8208 0.8538 0.0031 -0.0446 0.0573 12 LEU L CD2 ? ? 1 +18805 C C . LEU K 11 0.2413 0.8197 0.8480 0.0154 -0.0497 0.0615 12 LEU L C ? ? 1 +18806 O O . LEU K 11 0.2374 0.8213 0.8458 0.0166 -0.0529 0.0598 12 LEU L O ? ? 1 +18807 N N . ASN K 12 0.2370 0.8122 0.8428 0.0182 -0.0509 0.0618 13 ASN L N ? ? 1 +18808 C CA . ASN K 12 0.2318 0.8107 0.8393 0.0232 -0.0562 0.0601 13 ASN L CA ? ? 1 +18809 C CB . ASN K 12 0.2397 0.8104 0.8413 0.0271 -0.0569 0.0615 13 ASN L CB ? ? 1 +18810 C CG . ASN K 12 0.2362 0.8060 0.8423 0.0245 -0.0536 0.0619 13 ASN L CG ? ? 1 +18811 O OD1 . ASN K 12 0.2252 0.8038 0.8419 0.0215 -0.0528 0.0601 13 ASN L OD1 ? ? 1 +18812 N ND2 . ASN K 12 0.2475 0.8059 0.8449 0.0256 -0.0514 0.0643 13 ASN L ND2 ? ? 1 +18813 C C . ASN K 12 0.2144 0.8060 0.8352 0.0216 -0.0578 0.0571 13 ASN L C ? ? 1 +18814 O O . ASN K 12 0.2005 0.7967 0.8282 0.0168 -0.0547 0.0566 13 ASN L O ? ? 1 +18815 N N . ARG K 13 0.2109 0.8081 0.8351 0.0257 -0.0627 0.0550 14 ARG L N ? ? 1 +18816 C CA . ARG K 13 0.1962 0.8056 0.8325 0.0244 -0.0645 0.0519 14 ARG L CA ? ? 1 +18817 C CB . ARG K 13 0.2047 0.8191 0.8427 0.0293 -0.0702 0.0497 14 ARG L CB ? ? 1 +18818 C CG . ARG K 13 0.1985 0.8259 0.8488 0.0275 -0.0720 0.0463 14 ARG L CG ? ? 1 +18819 C CD . ARG K 13 0.2047 0.8378 0.8581 0.0325 -0.0776 0.0439 14 ARG L CD ? ? 1 +18820 N NE . ARG K 13 0.2184 0.8478 0.8635 0.0358 -0.0813 0.0440 14 ARG L NE ? ? 1 +18821 C CZ . ARG K 13 0.2313 0.8653 0.8779 0.0402 -0.0868 0.0418 14 ARG L CZ ? ? 1 +18822 N NH1 . ARG K 13 0.2274 0.8710 0.8843 0.0416 -0.0890 0.0391 14 ARG L NH1 ? ? 1 +18823 N NH2 . ARG K 13 0.2472 0.8766 0.8849 0.0434 -0.0901 0.0422 14 ARG L NH2 ? ? 1 +18824 C C . ARG K 13 0.1830 0.7954 0.8268 0.0225 -0.0621 0.0514 14 ARG L C ? ? 1 +18825 O O . ARG K 13 0.1704 0.7907 0.8232 0.0188 -0.0609 0.0498 14 ARG L O ? ? 1 +18826 N N A THR K 14 0.1881 0.7935 0.8275 0.0250 -0.0616 0.0528 15 THR L N ? ? 1 +18827 N N B THR K 14 0.1883 0.7938 0.8278 0.0250 -0.0616 0.0528 15 THR L N ? ? 1 +18828 C CA A THR K 14 0.1821 0.7889 0.8273 0.0234 -0.0592 0.0525 15 THR L CA ? ? 1 +18829 C CA B THR K 14 0.1829 0.7897 0.8280 0.0234 -0.0592 0.0525 15 THR L CA ? ? 1 +18830 C C A THR K 14 0.1749 0.7809 0.8220 0.0174 -0.0544 0.0535 15 THR L C ? ? 1 +18831 C C B THR K 14 0.1752 0.7813 0.8223 0.0174 -0.0544 0.0535 15 THR L C ? ? 1 +18832 O O A THR K 14 0.1654 0.7771 0.8205 0.0147 -0.0528 0.0522 15 THR L O ? ? 1 +18833 O O B THR K 14 0.1653 0.7770 0.8203 0.0147 -0.0528 0.0522 15 THR L O ? ? 1 +18834 C CB A THR K 14 0.1925 0.7903 0.8309 0.0274 -0.0595 0.0540 15 THR L CB ? ? 1 +18835 C CB B THR K 14 0.1941 0.7919 0.8325 0.0273 -0.0594 0.0540 15 THR L CB ? ? 1 +18836 O OG1 A THR K 14 0.1978 0.7976 0.8357 0.0333 -0.0643 0.0527 15 THR L OG1 ? ? 1 +18837 O OG1 B THR K 14 0.2002 0.7996 0.8377 0.0333 -0.0642 0.0528 15 THR L OG1 ? ? 1 +18838 C CG2 A THR K 14 0.1889 0.7868 0.8320 0.0256 -0.0568 0.0537 15 THR L CG2 ? ? 1 +18839 C CG2 B THR K 14 0.1910 0.7891 0.8343 0.0257 -0.0569 0.0536 15 THR L CG2 ? ? 1 +18840 N N . SER K 15 0.1793 0.7783 0.8189 0.0156 -0.0520 0.0557 16 SER L N ? ? 1 +18841 C CA . SER K 15 0.1737 0.7720 0.8150 0.0101 -0.0476 0.0566 16 SER L CA ? ? 1 +18842 C CB . SER K 15 0.1819 0.7707 0.8134 0.0094 -0.0451 0.0592 16 SER L CB ? ? 1 +18843 O OG . SER K 15 0.1920 0.7708 0.8157 0.0120 -0.0446 0.0610 16 SER L OG ? ? 1 +18844 C C . SER K 15 0.1625 0.7706 0.8119 0.0068 -0.0475 0.0547 16 SER L C ? ? 1 +18845 O O . SER K 15 0.1532 0.7649 0.8085 0.0030 -0.0450 0.0542 16 SER L O ? ? 1 +18846 N N . LEU K 16 0.1642 0.7763 0.8135 0.0085 -0.0505 0.0537 17 LEU L N ? ? 1 +18847 C CA . LEU K 16 0.1559 0.7769 0.8125 0.0058 -0.0509 0.0517 17 LEU L CA ? ? 1 +18848 C CB . LEU K 16 0.1592 0.7828 0.8140 0.0083 -0.0547 0.0506 17 LEU L CB ? ? 1 +18849 C CG . LEU K 16 0.1508 0.7835 0.8130 0.0058 -0.0556 0.0482 17 LEU L CG ? ? 1 +18850 C CD1 . LEU K 16 0.1491 0.7804 0.8097 0.0019 -0.0523 0.0492 17 LEU L CD1 ? ? 1 +18851 C CD2 . LEU K 16 0.1538 0.7899 0.8155 0.0088 -0.0601 0.0465 17 LEU L CD2 ? ? 1 +18852 C C . LEU K 16 0.1472 0.7762 0.8137 0.0050 -0.0514 0.0496 17 LEU L C ? ? 1 +18853 O O . LEU K 16 0.1402 0.7736 0.8124 0.0012 -0.0492 0.0489 17 LEU L O ? ? 1 +18854 N N . TYR K 17 0.1493 0.7797 0.8174 0.0087 -0.0541 0.0485 18 TYR L N ? ? 1 +18855 C CA . TYR K 17 0.1436 0.7813 0.8206 0.0083 -0.0544 0.0464 18 TYR L CA ? ? 1 +18856 C CB . TYR K 17 0.1499 0.7887 0.8275 0.0134 -0.0579 0.0453 18 TYR L CB ? ? 1 +18857 C CG . TYR K 17 0.1535 0.7975 0.8323 0.0163 -0.0621 0.0436 18 TYR L CG ? ? 1 +18858 C CD1 . TYR K 17 0.1506 0.8009 0.8335 0.0136 -0.0627 0.0421 18 TYR L CD1 ? ? 1 +18859 C CD2 . TYR K 17 0.1627 0.8053 0.8386 0.0217 -0.0658 0.0432 18 TYR L CD2 ? ? 1 +18860 C CE1 . TYR K 17 0.1547 0.8101 0.8391 0.0159 -0.0669 0.0402 18 TYR L CE1 ? ? 1 +18861 C CE2 . TYR K 17 0.1634 0.8114 0.8410 0.0244 -0.0702 0.0413 18 TYR L CE2 ? ? 1 +18862 C CZ . TYR K 17 0.1587 0.8132 0.8407 0.0213 -0.0707 0.0397 18 TYR L CZ ? ? 1 +18863 O OH . TYR K 17 0.1634 0.8232 0.8472 0.0234 -0.0750 0.0375 18 TYR L OH ? ? 1 +18864 C C . TYR K 17 0.1385 0.7742 0.8174 0.0054 -0.0507 0.0472 18 TYR L C ? ? 1 +18865 O O . TYR K 17 0.1301 0.7716 0.8159 0.0024 -0.0494 0.0459 18 TYR L O ? ? 1 +18866 N N A LEU K 18 0.1456 0.7726 0.8182 0.0062 -0.0492 0.0492 19 LEU L N ? ? 1 +18867 N N B LEU K 18 0.1461 0.7731 0.8187 0.0062 -0.0492 0.0492 19 LEU L N ? ? 1 +18868 C CA A LEU K 18 0.1443 0.7683 0.8177 0.0033 -0.0458 0.0500 19 LEU L CA ? ? 1 +18869 C CA B LEU K 18 0.1453 0.7693 0.8187 0.0033 -0.0458 0.0499 19 LEU L CA ? ? 1 +18870 C C A LEU K 18 0.1375 0.7636 0.8132 -0.0016 -0.0431 0.0502 19 LEU L C ? ? 1 +18871 C C B LEU K 18 0.1377 0.7638 0.8135 -0.0016 -0.0431 0.0502 19 LEU L C ? ? 1 +18872 O O A LEU K 18 0.1311 0.7602 0.8118 -0.0044 -0.0413 0.0495 19 LEU L O ? ? 1 +18873 O O B LEU K 18 0.1312 0.7603 0.8120 -0.0044 -0.0413 0.0495 19 LEU L O ? ? 1 +18874 C CB A LEU K 18 0.1550 0.7684 0.8201 0.0046 -0.0445 0.0522 19 LEU L CB ? ? 1 +18875 C CB B LEU K 18 0.1570 0.7705 0.8222 0.0047 -0.0446 0.0522 19 LEU L CB ? ? 1 +18876 C CG A LEU K 18 0.1625 0.7725 0.8251 0.0094 -0.0467 0.0521 19 LEU L CG ? ? 1 +18877 C CG B LEU K 18 0.1654 0.7760 0.8285 0.0096 -0.0468 0.0519 19 LEU L CG ? ? 1 +18878 C CD1 A LEU K 18 0.1746 0.7729 0.8272 0.0110 -0.0456 0.0546 19 LEU L CD1 ? ? 1 +18879 C CD1 B LEU K 18 0.1781 0.7771 0.8312 0.0115 -0.0460 0.0544 19 LEU L CD1 ? ? 1 +18880 C CD2 A LEU K 18 0.1582 0.7713 0.8269 0.0090 -0.0458 0.0506 19 LEU L CD2 ? ? 1 +18881 C CD2 B LEU K 18 0.1616 0.7751 0.8307 0.0089 -0.0459 0.0505 19 LEU L CD2 ? ? 1 +18882 N N . GLY K 19 0.1394 0.7639 0.8112 -0.0024 -0.0429 0.0512 20 GLY L N ? ? 1 +18883 C CA . GLY K 19 0.1370 0.7634 0.8106 -0.0065 -0.0404 0.0514 20 GLY L CA ? ? 1 +18884 C C . GLY K 19 0.1293 0.7646 0.8107 -0.0083 -0.0411 0.0493 20 GLY L C ? ? 1 +18885 O O . GLY K 19 0.1246 0.7623 0.8101 -0.0115 -0.0390 0.0489 20 GLY L O ? ? 1 +18886 N N . LEU K 20 0.1290 0.7688 0.8122 -0.0062 -0.0440 0.0479 21 LEU L N ? ? 1 +18887 C CA . LEU K 20 0.1211 0.7688 0.8112 -0.0080 -0.0446 0.0459 21 LEU L CA ? ? 1 +18888 C CB . LEU K 20 0.1226 0.7744 0.8137 -0.0057 -0.0480 0.0444 21 LEU L CB ? ? 1 +18889 C CG . LEU K 20 0.1267 0.7761 0.8124 -0.0054 -0.0489 0.0450 21 LEU L CG ? ? 1 +18890 C CD1 . LEU K 20 0.1281 0.7819 0.8151 -0.0032 -0.0527 0.0432 21 LEU L CD1 ? ? 1 +18891 C CD2 . LEU K 20 0.1237 0.7742 0.8102 -0.0090 -0.0467 0.0452 21 LEU L CD2 ? ? 1 +18892 C C . LEU K 20 0.1163 0.7674 0.8123 -0.0089 -0.0436 0.0447 21 LEU L C ? ? 1 +18893 O O . LEU K 20 0.1120 0.7670 0.8125 -0.0118 -0.0422 0.0439 21 LEU L O ? ? 1 +18894 N N . LEU K 21 0.1194 0.7684 0.8149 -0.0063 -0.0443 0.0448 22 LEU L N ? ? 1 +18895 C CA . LEU K 21 0.1157 0.7672 0.8161 -0.0069 -0.0433 0.0437 22 LEU L CA ? ? 1 +18896 C CB . LEU K 21 0.1232 0.7717 0.8219 -0.0032 -0.0444 0.0437 22 LEU L CB ? ? 1 +18897 C CG . LEU K 21 0.1229 0.7739 0.8264 -0.0034 -0.0434 0.0424 22 LEU L CG ? ? 1 +18898 C CD1 . LEU K 21 0.1171 0.7770 0.8280 -0.0036 -0.0442 0.0401 22 LEU L CD1 ? ? 1 +18899 C CD2 . LEU K 21 0.1318 0.7781 0.8323 0.0002 -0.0441 0.0428 22 LEU L CD2 ? ? 1 +18900 C C . LEU K 21 0.1108 0.7598 0.8111 -0.0103 -0.0402 0.0445 22 LEU L C ? ? 1 +18901 O O . LEU K 21 0.1020 0.7550 0.8070 -0.0125 -0.0391 0.0434 22 LEU L O ? ? 1 +18902 N N . LEU K 22 0.1163 0.7586 0.8112 -0.0109 -0.0389 0.0464 23 LEU L N ? ? 1 +18903 C CA . LEU K 22 0.1163 0.7563 0.8112 -0.0142 -0.0362 0.0471 23 LEU L CA ? ? 1 +18904 C CB . LEU K 22 0.1241 0.7566 0.8127 -0.0145 -0.0348 0.0492 23 LEU L CB ? ? 1 +18905 C CG . LEU K 22 0.1240 0.7545 0.8130 -0.0181 -0.0321 0.0498 23 LEU L CG ? ? 1 +18906 C CD1 . LEU K 22 0.1241 0.7536 0.8151 -0.0186 -0.0315 0.0490 23 LEU L CD1 ? ? 1 +18907 C CD2 . LEU K 22 0.1310 0.7549 0.8142 -0.0188 -0.0304 0.0517 23 LEU L CD2 ? ? 1 +18908 C C . LEU K 22 0.1093 0.7541 0.8077 -0.0172 -0.0353 0.0465 23 LEU L C ? ? 1 +18909 O O . LEU K 22 0.1049 0.7520 0.8068 -0.0193 -0.0342 0.0457 23 LEU L O ? ? 1 +18910 N N . ILE K 23 0.1108 0.7568 0.8077 -0.0172 -0.0360 0.0468 24 ILE L N ? ? 1 +18911 C CA . ILE K 23 0.1067 0.7563 0.8061 -0.0198 -0.0351 0.0463 24 ILE L CA ? ? 1 +18912 C CB . ILE K 23 0.1128 0.7622 0.8091 -0.0193 -0.0359 0.0468 24 ILE L CB ? ? 1 +18913 C CG1 . ILE K 23 0.1227 0.7658 0.8130 -0.0192 -0.0345 0.0488 24 ILE L CG1 ? ? 1 +18914 C CG2 . ILE K 23 0.1082 0.7615 0.8071 -0.0215 -0.0353 0.0460 24 ILE L CG2 ? ? 1 +18915 C CD1 . ILE K 23 0.1290 0.7702 0.8143 -0.0171 -0.0360 0.0494 24 ILE L CD1 ? ? 1 +18916 C C . ILE K 23 0.0974 0.7529 0.8024 -0.0204 -0.0357 0.0444 24 ILE L C ? ? 1 +18917 O O . ILE K 23 0.0919 0.7493 0.7994 -0.0227 -0.0344 0.0440 24 ILE L O ? ? 1 +18918 N N . LEU K 24 0.0938 0.7523 0.8005 -0.0183 -0.0377 0.0433 25 LEU L N ? ? 1 +18919 C CA . LEU K 24 0.0871 0.7512 0.7991 -0.0190 -0.0380 0.0414 25 LEU L CA ? ? 1 +18920 C CB . LEU K 24 0.0902 0.7577 0.8041 -0.0164 -0.0405 0.0402 25 LEU L CB ? ? 1 +18921 C CG . LEU K 24 0.0916 0.7601 0.8037 -0.0158 -0.0424 0.0400 25 LEU L CG ? ? 1 +18922 C CD1 . LEU K 24 0.0943 0.7668 0.8090 -0.0131 -0.0452 0.0384 25 LEU L CD1 ? ? 1 +18923 C CD2 . LEU K 24 0.0868 0.7580 0.8007 -0.0187 -0.0415 0.0393 25 LEU L CD2 ? ? 1 +18924 C C . LEU K 24 0.0820 0.7462 0.7964 -0.0199 -0.0365 0.0410 25 LEU L C ? ? 1 +18925 O O . LEU K 24 0.0779 0.7446 0.7950 -0.0219 -0.0354 0.0402 25 LEU L O ? ? 1 +18926 N N . VAL K 25 0.0841 0.7448 0.7969 -0.0183 -0.0364 0.0415 26 VAL L N ? ? 1 +18927 C CA . VAL K 25 0.0820 0.7421 0.7964 -0.0191 -0.0350 0.0411 26 VAL L CA ? ? 1 +18928 C CB . VAL K 25 0.0878 0.7440 0.8001 -0.0165 -0.0354 0.0414 26 VAL L CB ? ? 1 +18929 C CG1 . VAL K 25 0.0889 0.7425 0.8012 -0.0176 -0.0338 0.0412 26 VAL L CG1 ? ? 1 +18930 C CG2 . VAL K 25 0.0883 0.7483 0.8034 -0.0135 -0.0371 0.0400 26 VAL L CG2 ? ? 1 +18931 C C . VAL K 25 0.0781 0.7362 0.7916 -0.0220 -0.0332 0.0417 26 VAL L C ? ? 1 +18932 O O . VAL K 25 0.0732 0.7330 0.7890 -0.0234 -0.0323 0.0408 26 VAL L O ? ? 1 +18933 N N . LEU K 26 0.0789 0.7335 0.7891 -0.0228 -0.0328 0.0432 27 LEU L N ? ? 1 +18934 C CA . LEU K 26 0.0773 0.7310 0.7875 -0.0255 -0.0313 0.0436 27 LEU L CA ? ? 1 +18935 C CB . LEU K 26 0.0809 0.7310 0.7876 -0.0261 -0.0305 0.0451 27 LEU L CB ? ? 1 +18936 C CG . LEU K 26 0.0866 0.7310 0.7902 -0.0257 -0.0299 0.0461 27 LEU L CG ? ? 1 +18937 C CD1 . LEU K 26 0.0902 0.7311 0.7904 -0.0266 -0.0287 0.0477 27 LEU L CD1 ? ? 1 +18938 C CD2 . LEU K 26 0.0862 0.7296 0.7914 -0.0272 -0.0290 0.0455 27 LEU L CD2 ? ? 1 +18939 C C . LEU K 26 0.0721 0.7301 0.7849 -0.0270 -0.0311 0.0427 27 LEU L C ? ? 1 +18940 O O . LEU K 26 0.0681 0.7268 0.7823 -0.0286 -0.0303 0.0422 27 LEU L O ? ? 1 +18941 N N . ALA K 27 0.0728 0.7333 0.7859 -0.0264 -0.0320 0.0425 28 ALA L N ? ? 1 +18942 C CA . ALA K 27 0.0700 0.7340 0.7851 -0.0278 -0.0318 0.0417 28 ALA L CA ? ? 1 +18943 C CB . ALA K 27 0.0709 0.7365 0.7854 -0.0270 -0.0330 0.0416 28 ALA L CB ? ? 1 +18944 C C . ALA K 27 0.0691 0.7356 0.7871 -0.0281 -0.0316 0.0403 28 ALA L C ? ? 1 +18945 O O . ALA K 27 0.0660 0.7337 0.7849 -0.0296 -0.0308 0.0398 28 ALA L O ? ? 1 +18946 N N . LEU K 28 0.0734 0.7407 0.7928 -0.0265 -0.0322 0.0396 29 LEU L N ? ? 1 +18947 C CA . LEU K 28 0.0734 0.7431 0.7956 -0.0267 -0.0315 0.0382 29 LEU L CA ? ? 1 +18948 C CB . LEU K 28 0.0760 0.7475 0.8002 -0.0244 -0.0324 0.0374 29 LEU L CB ? ? 1 +18949 C CG . LEU K 28 0.0777 0.7527 0.8054 -0.0246 -0.0315 0.0358 29 LEU L CG ? ? 1 +18950 C CD1 . LEU K 28 0.0762 0.7548 0.8060 -0.0263 -0.0312 0.0349 29 LEU L CD1 ? ? 1 +18951 C CD2 . LEU K 28 0.0813 0.7585 0.8114 -0.0219 -0.0325 0.0348 29 LEU L CD2 ? ? 1 +18952 C C . LEU K 28 0.0728 0.7401 0.7941 -0.0277 -0.0303 0.0384 29 LEU L C ? ? 1 +18953 O O . LEU K 28 0.0728 0.7411 0.7950 -0.0288 -0.0293 0.0376 29 LEU L O ? ? 1 +18954 N N . LEU K 29 0.0752 0.7388 0.7942 -0.0274 -0.0303 0.0393 30 LEU L N ? ? 1 +18955 C CA . LEU K 29 0.0764 0.7375 0.7946 -0.0284 -0.0294 0.0392 30 LEU L CA ? ? 1 +18956 C CB . LEU K 29 0.0808 0.7377 0.7968 -0.0278 -0.0295 0.0400 30 LEU L CB ? ? 1 +18957 C CG . LEU K 29 0.0818 0.7359 0.7969 -0.0292 -0.0289 0.0399 30 LEU L CG ? ? 1 +18958 C CD1 . LEU K 29 0.0823 0.7366 0.7980 -0.0287 -0.0285 0.0385 30 LEU L CD1 ? ? 1 +18959 C CD2 . LEU K 29 0.0845 0.7341 0.7973 -0.0291 -0.0288 0.0408 30 LEU L CD2 ? ? 1 +18960 C C . LEU K 29 0.0741 0.7354 0.7919 -0.0304 -0.0290 0.0394 30 LEU L C ? ? 1 +18961 O O . LEU K 29 0.0753 0.7365 0.7932 -0.0312 -0.0285 0.0387 30 LEU L O ? ? 1 +18962 N N . PHE K 30 0.0735 0.7350 0.7907 -0.0310 -0.0292 0.0403 31 PHE L N ? ? 1 +18963 C CA . PHE K 30 0.0720 0.7337 0.7891 -0.0326 -0.0288 0.0405 31 PHE L CA ? ? 1 +18964 C CB . PHE K 30 0.0724 0.7330 0.7884 -0.0330 -0.0287 0.0416 31 PHE L CB ? ? 1 +18965 C CG . PHE K 30 0.0742 0.7319 0.7896 -0.0337 -0.0282 0.0420 31 PHE L CG ? ? 1 +18966 C CD1 . PHE K 30 0.0741 0.7318 0.7905 -0.0352 -0.0280 0.0415 31 PHE L CD1 ? ? 1 +18967 C CD2 . PHE K 30 0.0772 0.7319 0.7910 -0.0328 -0.0282 0.0427 31 PHE L CD2 ? ? 1 +18968 C CE1 . PHE K 30 0.0762 0.7313 0.7923 -0.0362 -0.0276 0.0416 31 PHE L CE1 ? ? 1 +18969 C CE2 . PHE K 30 0.0807 0.7320 0.7936 -0.0337 -0.0276 0.0430 31 PHE L CE2 ? ? 1 +18970 C CZ . PHE K 30 0.0796 0.7313 0.7939 -0.0356 -0.0273 0.0423 31 PHE L CZ ? ? 1 +18971 C C . PHE K 30 0.0706 0.7347 0.7882 -0.0330 -0.0288 0.0400 31 PHE L C ? ? 1 +18972 O O . PHE K 30 0.0722 0.7365 0.7897 -0.0340 -0.0286 0.0398 31 PHE L O ? ? 1 +18973 N N . SER K 31 0.0686 0.7346 0.7870 -0.0324 -0.0290 0.0396 32 SER L N ? ? 1 +18974 C CA . SER K 31 0.0681 0.7358 0.7867 -0.0331 -0.0288 0.0392 32 SER L CA ? ? 1 +18975 C CB . SER K 31 0.0694 0.7393 0.7894 -0.0326 -0.0292 0.0385 32 SER L CB ? ? 1 +18976 O OG . SER K 31 0.0699 0.7406 0.7916 -0.0319 -0.0289 0.0376 32 SER L OG ? ? 1 +18977 C C . SER K 31 0.0696 0.7367 0.7877 -0.0339 -0.0281 0.0385 32 SER L C ? ? 1 +18978 O O . SER K 31 0.0721 0.7390 0.7892 -0.0345 -0.0280 0.0385 32 SER L O ? ? 1 +18979 N N . SER K 32 0.0706 0.7372 0.7891 -0.0336 -0.0277 0.0379 33 SER L N ? ? 1 +18980 C CA . SER K 32 0.0727 0.7382 0.7900 -0.0342 -0.0270 0.0372 33 SER L CA ? ? 1 +18981 C CB . SER K 32 0.0751 0.7397 0.7925 -0.0336 -0.0264 0.0365 33 SER L CB ? ? 1 +18982 O OG . SER K 32 0.0777 0.7444 0.7973 -0.0329 -0.0260 0.0360 33 SER L OG ? ? 1 +18983 C C . SER K 32 0.0750 0.7389 0.7906 -0.0346 -0.0275 0.0376 33 SER L C ? ? 1 +18984 O O . SER K 32 0.0749 0.7380 0.7889 -0.0349 -0.0273 0.0373 33 SER L O ? ? 1 +18985 N N . TYR K 33 0.0771 0.7405 0.7933 -0.0346 -0.0281 0.0381 34 TYR L N ? ? 1 +18986 C CA . TYR K 33 0.0800 0.7429 0.7958 -0.0351 -0.0287 0.0381 34 TYR L CA ? ? 1 +18987 C CB . TYR K 33 0.0803 0.7422 0.7969 -0.0354 -0.0290 0.0384 34 TYR L CB ? ? 1 +18988 C CG . TYR K 33 0.0816 0.7417 0.7977 -0.0351 -0.0288 0.0378 34 TYR L CG ? ? 1 +18989 C CD1 . TYR K 33 0.0827 0.7412 0.7975 -0.0353 -0.0292 0.0369 34 TYR L CD1 ? ? 1 +18990 C CD2 . TYR K 33 0.0822 0.7419 0.7985 -0.0342 -0.0284 0.0380 34 TYR L CD2 ? ? 1 +18991 C CE1 . TYR K 33 0.0855 0.7419 0.7994 -0.0348 -0.0289 0.0362 34 TYR L CE1 ? ? 1 +18992 C CE2 . TYR K 33 0.0834 0.7414 0.7992 -0.0335 -0.0282 0.0374 34 TYR L CE2 ? ? 1 +18993 C CZ . TYR K 33 0.0858 0.7419 0.8002 -0.0339 -0.0282 0.0365 34 TYR L CZ ? ? 1 +18994 O OH . TYR K 33 0.0874 0.7414 0.8008 -0.0331 -0.0279 0.0358 34 TYR L OH ? ? 1 +18995 C C . TYR K 33 0.0812 0.7455 0.7970 -0.0352 -0.0289 0.0386 34 TYR L C ? ? 1 +18996 O O . TYR K 33 0.0840 0.7483 0.7991 -0.0353 -0.0293 0.0383 34 TYR L O ? ? 1 +18997 N N . PHE K 34 0.0838 0.7491 0.8001 -0.0350 -0.0286 0.0392 35 PHE L N ? ? 1 +18998 C CA . PHE K 34 0.0850 0.7512 0.8009 -0.0350 -0.0286 0.0396 35 PHE L CA ? ? 1 +18999 C CB . PHE K 34 0.0862 0.7530 0.8022 -0.0348 -0.0285 0.0402 35 PHE L CB ? ? 1 +19000 C CG . PHE K 34 0.0877 0.7541 0.8043 -0.0347 -0.0284 0.0409 35 PHE L CG ? ? 1 +19001 C CD1 . PHE K 34 0.0896 0.7554 0.8069 -0.0353 -0.0283 0.0410 35 PHE L CD1 ? ? 1 +19002 C CD2 . PHE K 34 0.0877 0.7539 0.8037 -0.0341 -0.0285 0.0415 35 PHE L CD2 ? ? 1 +19003 C CE1 . PHE K 34 0.0913 0.7560 0.8086 -0.0355 -0.0279 0.0418 35 PHE L CE1 ? ? 1 +19004 C CE2 . PHE K 34 0.0899 0.7547 0.8054 -0.0340 -0.0283 0.0423 35 PHE L CE2 ? ? 1 +19005 C CZ . PHE K 34 0.0916 0.7555 0.8077 -0.0348 -0.0278 0.0425 35 PHE L CZ ? ? 1 +19006 C C . PHE K 34 0.0890 0.7547 0.8033 -0.0350 -0.0285 0.0391 35 PHE L C ? ? 1 +19007 O O . PHE K 34 0.0881 0.7537 0.8014 -0.0347 -0.0287 0.0391 35 PHE L O ? ? 1 +19008 N N . PHE K 35 0.0934 0.7586 0.8072 -0.0351 -0.0280 0.0386 36 PHE L N ? ? 1 +19009 C CA . PHE K 35 0.0954 0.7593 0.8072 -0.0354 -0.0274 0.0381 36 PHE L CA ? ? 1 +19010 C CB . PHE K 35 0.0990 0.7633 0.8114 -0.0360 -0.0264 0.0376 36 PHE L CB ? ? 1 +19011 C CG . PHE K 35 0.1011 0.7671 0.8148 -0.0363 -0.0265 0.0375 36 PHE L CG ? ? 1 +19012 C CD1 . PHE K 35 0.1026 0.7678 0.8147 -0.0366 -0.0265 0.0376 36 PHE L CD1 ? ? 1 +19013 C CD2 . PHE K 35 0.1019 0.7700 0.8181 -0.0360 -0.0269 0.0374 36 PHE L CD2 ? ? 1 +19014 C CE1 . PHE K 35 0.1041 0.7706 0.8171 -0.0369 -0.0268 0.0374 36 PHE L CE1 ? ? 1 +19015 C CE2 . PHE K 35 0.1030 0.7727 0.8201 -0.0361 -0.0274 0.0372 36 PHE L CE2 ? ? 1 +19016 C CZ . PHE K 35 0.1042 0.7731 0.8197 -0.0367 -0.0274 0.0371 36 PHE L CZ ? ? 1 +19017 C C . PHE K 35 0.0947 0.7566 0.8044 -0.0351 -0.0275 0.0378 36 PHE L C ? ? 1 +19018 O O . PHE K 35 0.0981 0.7582 0.8052 -0.0349 -0.0274 0.0377 36 PHE L O ? ? 1 +19019 N N . ASN K 36 0.0930 0.7549 0.8035 -0.0350 -0.0279 0.0376 37 ASN L N ? ? 1 +19020 C CA . ASN K 36 0.0952 0.7553 0.8037 -0.0347 -0.0284 0.0371 37 ASN L CA ? ? 1 +19021 C CB . ASN K 36 0.0955 0.7562 0.8042 -0.0342 -0.0297 0.0372 37 ASN L CB ? ? 1 +19022 C CG . ASN K 36 0.0980 0.7580 0.8062 -0.0340 -0.0309 0.0365 37 ASN L CG ? ? 1 +19023 O OD1 . ASN K 36 0.1010 0.7591 0.8077 -0.0341 -0.0306 0.0360 37 ASN L OD1 ? ? 1 +19024 N ND2 . ASN K 36 0.1019 0.7633 0.8112 -0.0337 -0.0322 0.0363 37 ASN L ND2 ? ? 1 +19025 C C . ASN K 36 0.0982 0.7556 0.8032 -0.0346 -0.0274 0.0367 37 ASN L C ? ? 1 +19026 O O . ASN K 36 0.1002 0.7554 0.8021 -0.0340 -0.0279 0.0366 37 ASN L O ? ? 1 +19027 O OXT . ASN K 36 0.1042 0.7614 0.8093 -0.0352 -0.0260 0.0365 37 ASN L OXT ? ? 1 +19028 N N . FME L 1 0.3890 1.0301 1.0780 -0.0424 -0.0142 0.0355 1 FME M N ? ? 1 +19029 C CN . FME L 1 0.4426 1.0783 1.1266 -0.0435 -0.0120 0.0356 1 FME M CN ? ? 1 +19030 O O1 . FME L 1 0.4957 1.1261 1.1735 -0.0425 -0.0115 0.0361 1 FME M O1 ? ? 1 +19031 C CA . FME L 1 0.3453 0.9868 1.0337 -0.0402 -0.0163 0.0360 1 FME M CA ? ? 1 +19032 C CB . FME L 1 0.3246 0.9712 1.0185 -0.0401 -0.0168 0.0355 1 FME M CB ? ? 1 +19033 C CG . FME L 1 0.3114 0.9585 1.0065 -0.0414 -0.0142 0.0347 1 FME M CG ? ? 1 +19034 S SD . FME L 1 0.3112 0.9527 0.9999 -0.0408 -0.0125 0.0347 1 FME M SD ? ? 1 +19035 C CE . FME L 1 0.3120 0.9559 1.0027 -0.0388 -0.0150 0.0347 1 FME M CE ? ? 1 +19036 C C . FME L 1 0.3149 0.9566 1.0028 -0.0386 -0.0188 0.0366 1 FME M C ? ? 1 +19037 O O . FME L 1 0.2813 0.9251 0.9717 -0.0392 -0.0192 0.0366 1 FME M O ? ? 1 +19038 N N . GLU L 2 0.3244 0.9634 1.0086 -0.0368 -0.0202 0.0371 2 GLU M N ? ? 1 +19039 C CA . GLU L 2 0.3500 0.9902 1.0349 -0.0353 -0.0224 0.0375 2 GLU M CA ? ? 1 +19040 C CB . GLU L 2 0.3979 1.0339 1.0774 -0.0332 -0.0236 0.0378 2 GLU M CB ? ? 1 +19041 C CG . GLU L 2 0.4659 1.0956 1.1390 -0.0334 -0.0221 0.0381 2 GLU M CG ? ? 1 +19042 C CD . GLU L 2 0.5489 1.1742 1.2162 -0.0307 -0.0237 0.0384 2 GLU M CD ? ? 1 +19043 O OE1 . GLU L 2 0.5816 1.2096 1.2509 -0.0289 -0.0260 0.0384 2 GLU M OE1 ? ? 1 +19044 O OE2 . GLU L 2 0.6284 1.2475 1.2891 -0.0304 -0.0225 0.0387 2 GLU M OE2 ? ? 1 +19045 C C . GLU L 2 0.3178 0.9633 1.0081 -0.0348 -0.0241 0.0374 2 GLU M C ? ? 1 +19046 O O . GLU L 2 0.3196 0.9657 1.0099 -0.0335 -0.0257 0.0374 2 GLU M O ? ? 1 +19047 N N . VAL L 3 0.2900 0.9392 0.9847 -0.0359 -0.0238 0.0373 3 VAL M N ? ? 1 +19048 C CA . VAL L 3 0.2742 0.9275 0.9733 -0.0355 -0.0252 0.0375 3 VAL M CA ? ? 1 +19049 C CB . VAL L 3 0.2690 0.9254 0.9719 -0.0367 -0.0246 0.0372 3 VAL M CB ? ? 1 +19050 C CG1 . VAL L 3 0.2783 0.9347 0.9818 -0.0375 -0.0231 0.0366 3 VAL M CG1 ? ? 1 +19051 C CG2 . VAL L 3 0.2680 0.9245 0.9709 -0.0374 -0.0242 0.0372 3 VAL M CG2 ? ? 1 +19052 C C . VAL L 3 0.2683 0.9225 0.9676 -0.0345 -0.0264 0.0379 3 VAL M C ? ? 1 +19053 O O . VAL L 3 0.2549 0.9067 0.9513 -0.0341 -0.0263 0.0380 3 VAL M O ? ? 1 +19054 N N . ASN L 4 0.2778 0.9352 0.9805 -0.0341 -0.0274 0.0381 4 ASN M N ? ? 1 +19055 C CA . ASN L 4 0.2898 0.9488 0.9935 -0.0334 -0.0282 0.0385 4 ASN M CA ? ? 1 +19056 C CB . ASN L 4 0.2845 0.9462 0.9914 -0.0331 -0.0290 0.0386 4 ASN M CB ? ? 1 +19057 C CG . ASN L 4 0.2958 0.9596 1.0044 -0.0326 -0.0293 0.0389 4 ASN M CG ? ? 1 +19058 O OD1 . ASN L 4 0.3119 0.9750 1.0190 -0.0320 -0.0291 0.0391 4 ASN M OD1 ? ? 1 +19059 N ND2 . ASN L 4 0.3038 0.9699 1.0154 -0.0330 -0.0295 0.0391 4 ASN M ND2 ? ? 1 +19060 C C . ASN L 4 0.3041 0.9639 1.0087 -0.0341 -0.0276 0.0386 4 ASN M C ? ? 1 +19061 O O . ASN L 4 0.3050 0.9665 1.0118 -0.0349 -0.0273 0.0386 4 ASN M O ? ? 1 +19062 N N . GLN L 5 0.3381 0.9966 1.0408 -0.0336 -0.0275 0.0387 5 GLN M N ? ? 1 +19063 C CA . GLN L 5 0.3699 1.0285 1.0725 -0.0343 -0.0270 0.0386 5 GLN M CA ? ? 1 +19064 C CB . GLN L 5 0.4655 1.1206 1.1643 -0.0341 -0.0266 0.0384 5 GLN M CB ? ? 1 +19065 C CG . GLN L 5 0.5421 1.1938 1.2383 -0.0352 -0.0256 0.0380 5 GLN M CG ? ? 1 +19066 C CD . GLN L 5 0.6465 1.2954 1.3401 -0.0362 -0.0247 0.0376 5 GLN M CD ? ? 1 +19067 O OE1 . GLN L 5 0.7268 1.3774 1.4224 -0.0375 -0.0246 0.0371 5 GLN M OE1 ? ? 1 +19068 N NE2 . GLN L 5 0.7104 1.3545 1.3994 -0.0356 -0.0242 0.0377 5 GLN M NE2 ? ? 1 +19069 C C . GLN L 5 0.3124 0.9735 1.0172 -0.0340 -0.0275 0.0390 5 GLN M C ? ? 1 +19070 O O . GLN L 5 0.3272 0.9890 1.0324 -0.0346 -0.0274 0.0389 5 GLN M O ? ? 1 +19071 N N . LEU L 6 0.2386 0.9014 0.9449 -0.0331 -0.0279 0.0394 6 LEU M N ? ? 1 +19072 C CA . LEU L 6 0.2082 0.8731 0.9163 -0.0330 -0.0278 0.0399 6 LEU M CA ? ? 1 +19073 C CB . LEU L 6 0.2106 0.8771 0.9202 -0.0323 -0.0279 0.0402 6 LEU M CB ? ? 1 +19074 C CG . LEU L 6 0.2149 0.8810 0.9232 -0.0310 -0.0277 0.0401 6 LEU M CG ? ? 1 +19075 C CD1 . LEU L 6 0.2144 0.8832 0.9253 -0.0304 -0.0278 0.0401 6 LEU M CD1 ? ? 1 +19076 C CD2 . LEU L 6 0.2176 0.8829 0.9241 -0.0308 -0.0272 0.0403 6 LEU M CD2 ? ? 1 +19077 C C . LEU L 6 0.1812 0.8471 0.8912 -0.0338 -0.0280 0.0401 6 LEU M C ? ? 1 +19078 O O . LEU L 6 0.1773 0.8441 0.8881 -0.0337 -0.0280 0.0406 6 LEU M O ? ? 1 +19079 N N . GLY L 7 0.1672 0.8328 0.8777 -0.0343 -0.0280 0.0397 7 GLY M N ? ? 1 +19080 C CA . GLY L 7 0.1570 0.8235 0.8692 -0.0347 -0.0281 0.0396 7 GLY M CA ? ? 1 +19081 C C . GLY L 7 0.1458 0.8129 0.8582 -0.0349 -0.0284 0.0395 7 GLY M C ? ? 1 +19082 O O . GLY L 7 0.1398 0.8078 0.8533 -0.0346 -0.0287 0.0398 7 GLY M O ? ? 1 +19083 N N . LEU L 8 0.1380 0.8046 0.8491 -0.0352 -0.0283 0.0390 8 LEU M N ? ? 1 +19084 C CA . LEU L 8 0.1365 0.8039 0.8478 -0.0354 -0.0288 0.0386 8 LEU M CA ? ? 1 +19085 C CB . LEU L 8 0.1384 0.8046 0.8482 -0.0364 -0.0285 0.0378 8 LEU M CB ? ? 1 +19086 C CG . LEU L 8 0.1422 0.8096 0.8526 -0.0369 -0.0293 0.0369 8 LEU M CG ? ? 1 +19087 C CD1 . LEU L 8 0.1445 0.8146 0.8582 -0.0371 -0.0297 0.0363 8 LEU M CD1 ? ? 1 +19088 C CD2 . LEU L 8 0.1453 0.8110 0.8541 -0.0382 -0.0288 0.0360 8 LEU M CD2 ? ? 1 +19089 C C . LEU L 8 0.1355 0.8030 0.8459 -0.0346 -0.0293 0.0393 8 LEU M C ? ? 1 +19090 O O . LEU L 8 0.1399 0.8083 0.8510 -0.0341 -0.0301 0.0394 8 LEU M O ? ? 1 +19091 N N . ILE L 9 0.1326 0.7990 0.8412 -0.0341 -0.0289 0.0398 9 ILE M N ? ? 1 +19092 C CA . ILE L 9 0.1261 0.7922 0.8333 -0.0333 -0.0290 0.0405 9 ILE M CA ? ? 1 +19093 C CB . ILE L 9 0.1334 0.7984 0.8385 -0.0328 -0.0283 0.0406 9 ILE M CB ? ? 1 +19094 C CG1 . ILE L 9 0.1417 0.8060 0.8447 -0.0321 -0.0282 0.0412 9 ILE M CG1 ? ? 1 +19095 C CG2 . ILE L 9 0.1323 0.7978 0.8386 -0.0326 -0.0275 0.0410 9 ILE M CG2 ? ? 1 +19096 C CD1 . ILE L 9 0.1485 0.8115 0.8490 -0.0315 -0.0277 0.0411 9 ILE M CD1 ? ? 1 +19097 C C . ILE L 9 0.1153 0.7818 0.8236 -0.0330 -0.0288 0.0414 9 ILE M C ? ? 1 +19098 O O . ILE L 9 0.1172 0.7833 0.8244 -0.0324 -0.0291 0.0419 9 ILE M O ? ? 1 +19099 N N . ALA L 10 0.1025 0.7695 0.8126 -0.0333 -0.0283 0.0415 10 ALA M N ? ? 1 +19100 C CA . ALA L 10 0.0931 0.7601 0.8043 -0.0333 -0.0280 0.0422 10 ALA M CA ? ? 1 +19101 C CB . ALA L 10 0.0896 0.7572 0.8028 -0.0339 -0.0278 0.0420 10 ALA M CB ? ? 1 +19102 C C . ALA L 10 0.0875 0.7542 0.7989 -0.0330 -0.0288 0.0423 10 ALA M C ? ? 1 +19103 O O . ALA L 10 0.0861 0.7517 0.7964 -0.0325 -0.0287 0.0431 10 ALA M O ? ? 1 +19104 N N . THR L 11 0.0819 0.7495 0.7945 -0.0331 -0.0294 0.0414 11 THR M N ? ? 1 +19105 C CA . THR L 11 0.0808 0.7488 0.7941 -0.0325 -0.0302 0.0412 11 THR M CA ? ? 1 +19106 C CB . THR L 11 0.0796 0.7492 0.7950 -0.0330 -0.0303 0.0400 11 THR M CB ? ? 1 +19107 O OG1 . THR L 11 0.0764 0.7453 0.7924 -0.0336 -0.0295 0.0400 11 THR M OG1 ? ? 1 +19108 C CG2 . THR L 11 0.0808 0.7516 0.7977 -0.0321 -0.0312 0.0395 11 THR M CG2 ? ? 1 +19109 C C . THR L 11 0.0806 0.7486 0.7923 -0.0316 -0.0312 0.0413 11 THR M C ? ? 1 +19110 O O . THR L 11 0.0821 0.7491 0.7929 -0.0305 -0.0318 0.0418 11 THR M O ? ? 1 +19111 N N . ALA L 12 0.0816 0.7499 0.7922 -0.0320 -0.0314 0.0408 12 ALA M N ? ? 1 +19112 C CA . ALA L 12 0.0866 0.7547 0.7953 -0.0312 -0.0326 0.0406 12 ALA M CA ? ? 1 +19113 C CB . ALA L 12 0.0875 0.7556 0.7952 -0.0319 -0.0326 0.0398 12 ALA M CB ? ? 1 +19114 C C . ALA L 12 0.0927 0.7585 0.7983 -0.0301 -0.0325 0.0419 12 ALA M C ? ? 1 +19115 O O . ALA L 12 0.0923 0.7574 0.7963 -0.0288 -0.0337 0.0421 12 ALA M O ? ? 1 +19116 N N . LEU L 13 0.0994 0.7638 0.8038 -0.0305 -0.0309 0.0428 13 LEU M N ? ? 1 +19117 C CA . LEU L 13 0.1060 0.7681 0.8074 -0.0298 -0.0300 0.0441 13 LEU M CA ? ? 1 +19118 C CB . LEU L 13 0.1098 0.7718 0.8111 -0.0305 -0.0282 0.0445 13 LEU M CB ? ? 1 +19119 C CG . LEU L 13 0.1118 0.7741 0.8118 -0.0305 -0.0282 0.0437 13 LEU M CG ? ? 1 +19120 C CD1 . LEU L 13 0.1112 0.7735 0.8111 -0.0307 -0.0264 0.0441 13 LEU M CD1 ? ? 1 +19121 C CD2 . LEU L 13 0.1173 0.7780 0.8135 -0.0295 -0.0293 0.0436 13 LEU M CD2 ? ? 1 +19122 C C . LEU L 13 0.1105 0.7712 0.8121 -0.0294 -0.0298 0.0450 13 LEU M C ? ? 1 +19123 O O . LEU L 13 0.1157 0.7738 0.8140 -0.0284 -0.0300 0.0459 13 LEU M O ? ? 1 +19124 N N . PHE L 14 0.1128 0.7746 0.8175 -0.0302 -0.0295 0.0447 14 PHE M N ? ? 1 +19125 C CA . PHE L 14 0.1219 0.7821 0.8268 -0.0299 -0.0294 0.0453 14 PHE M CA ? ? 1 +19126 C CB . PHE L 14 0.1284 0.7900 0.8367 -0.0309 -0.0292 0.0446 14 PHE M CB ? ? 1 +19127 C CG . PHE L 14 0.1455 0.8050 0.8539 -0.0309 -0.0288 0.0452 14 PHE M CG ? ? 1 +19128 C CD2 . PHE L 14 0.1605 0.8186 0.8692 -0.0322 -0.0273 0.0457 14 PHE M CD2 ? ? 1 +19129 C CD1 . PHE L 14 0.1585 0.8174 0.8670 -0.0296 -0.0298 0.0449 14 PHE M CD1 ? ? 1 +19130 C CE2 . PHE L 14 0.1689 0.8246 0.8775 -0.0324 -0.0269 0.0461 14 PHE M CE2 ? ? 1 +19131 C CE1 . PHE L 14 0.1678 0.8240 0.8759 -0.0295 -0.0294 0.0453 14 PHE M CE1 ? ? 1 +19132 C CZ . PHE L 14 0.1659 0.8201 0.8737 -0.0310 -0.0279 0.0459 14 PHE M CZ ? ? 1 +19133 C C . PHE L 14 0.1236 0.7829 0.8270 -0.0281 -0.0312 0.0452 14 PHE M C ? ? 1 +19134 O O . PHE L 14 0.1285 0.7847 0.8292 -0.0271 -0.0311 0.0463 14 PHE M O ? ? 1 +19135 N N . VAL L 15 0.1165 0.7785 0.8215 -0.0276 -0.0327 0.0440 15 VAL M N ? ? 1 +19136 C CA . VAL L 15 0.1223 0.7843 0.8262 -0.0257 -0.0347 0.0437 15 VAL M CA ? ? 1 +19137 C CB . VAL L 15 0.1181 0.7843 0.8257 -0.0257 -0.0362 0.0418 15 VAL M CB ? ? 1 +19138 C CG1 . VAL L 15 0.1224 0.7893 0.8292 -0.0236 -0.0387 0.0412 15 VAL M CG1 ? ? 1 +19139 C CG2 . VAL L 15 0.1137 0.7816 0.8251 -0.0264 -0.0355 0.0412 15 VAL M CG2 ? ? 1 +19140 C C . VAL L 15 0.1283 0.7879 0.8276 -0.0245 -0.0354 0.0443 15 VAL M C ? ? 1 +19141 O O . VAL L 15 0.1347 0.7913 0.8306 -0.0228 -0.0360 0.0453 15 VAL M O ? ? 1 +19142 N N A LEU L 16 0.1291 0.7896 0.8276 -0.0254 -0.0353 0.0439 16 LEU M N ? ? 1 +19143 N N B LEU L 16 0.1280 0.7886 0.8266 -0.0254 -0.0353 0.0439 16 LEU M N ? ? 1 +19144 C CA A LEU L 16 0.1347 0.7935 0.8288 -0.0241 -0.0364 0.0440 16 LEU M CA ? ? 1 +19145 C CA B LEU L 16 0.1328 0.7916 0.8270 -0.0242 -0.0363 0.0440 16 LEU M CA ? ? 1 +19146 C C A LEU L 16 0.1373 0.7913 0.8261 -0.0234 -0.0350 0.0459 16 LEU M C ? ? 1 +19147 C C B LEU L 16 0.1363 0.7903 0.8251 -0.0234 -0.0350 0.0459 16 LEU M C ? ? 1 +19148 O O A LEU L 16 0.1416 0.7929 0.8261 -0.0215 -0.0363 0.0464 16 LEU M O ? ? 1 +19149 O O B LEU L 16 0.1407 0.7920 0.8252 -0.0215 -0.0363 0.0464 16 LEU M O ? ? 1 +19150 C CB A LEU L 16 0.1377 0.7981 0.8322 -0.0253 -0.0363 0.0430 16 LEU M CB ? ? 1 +19151 C CB B LEU L 16 0.1341 0.7941 0.8284 -0.0256 -0.0357 0.0432 16 LEU M CB ? ? 1 +19152 C CG A LEU L 16 0.1446 0.8075 0.8402 -0.0250 -0.0389 0.0411 16 LEU M CG ? ? 1 +19153 C CG B LEU L 16 0.1384 0.8007 0.8335 -0.0256 -0.0378 0.0415 16 LEU M CG ? ? 1 +19154 C CD1 A LEU L 16 0.1523 0.8131 0.8431 -0.0229 -0.0409 0.0412 16 LEU M CD1 ? ? 1 +19155 C CD1 B LEU L 16 0.1451 0.8048 0.8347 -0.0241 -0.0391 0.0416 16 LEU M CD1 ? ? 1 +19156 C CD2 A LEU L 16 0.1433 0.8099 0.8440 -0.0249 -0.0401 0.0400 16 LEU M CD2 ? ? 1 +19157 C CD2 B LEU L 16 0.1390 0.8048 0.8383 -0.0252 -0.0397 0.0402 16 LEU M CD2 ? ? 1 +19158 N N . VAL L 17 0.1342 0.7872 0.8233 -0.0249 -0.0323 0.0469 17 VAL M N ? ? 1 +19159 C CA . VAL L 17 0.1378 0.7865 0.8222 -0.0246 -0.0304 0.0485 17 VAL M CA ? ? 1 +19160 C CB . VAL L 17 0.1416 0.7909 0.8281 -0.0266 -0.0274 0.0490 17 VAL M CB ? ? 1 +19161 C CG1 . VAL L 17 0.1461 0.7911 0.8286 -0.0268 -0.0249 0.0507 17 VAL M CG1 ? ? 1 +19162 C CG2 . VAL L 17 0.1419 0.7936 0.8293 -0.0272 -0.0270 0.0481 17 VAL M CG2 ? ? 1 +19163 C C . VAL L 17 0.1402 0.7849 0.8214 -0.0232 -0.0307 0.0497 17 VAL M C ? ? 1 +19164 O O . VAL L 17 0.1502 0.7912 0.8257 -0.0215 -0.0312 0.0505 17 VAL M O ? ? 1 +19165 N N . PRO L 18 0.1358 0.7806 0.8198 -0.0236 -0.0305 0.0498 18 PRO M N ? ? 1 +19166 C CA . PRO L 18 0.1399 0.7803 0.8204 -0.0219 -0.0309 0.0510 18 PRO M CA ? ? 1 +19167 C CB . PRO L 18 0.1376 0.7786 0.8221 -0.0232 -0.0300 0.0508 18 PRO M CB ? ? 1 +19168 C CG . PRO L 18 0.1315 0.7780 0.8219 -0.0249 -0.0300 0.0494 18 PRO M CG ? ? 1 +19169 C CD . PRO L 18 0.1290 0.7776 0.8191 -0.0254 -0.0299 0.0489 18 PRO M CD ? ? 1 +19170 C C . PRO L 18 0.1415 0.7817 0.8199 -0.0190 -0.0342 0.0504 18 PRO M C ? ? 1 +19171 O O . PRO L 18 0.1497 0.7850 0.8224 -0.0169 -0.0347 0.0515 18 PRO M O ? ? 1 +19172 N N . SER L 19 0.1370 0.7824 0.8198 -0.0188 -0.0364 0.0485 19 SER M N ? ? 1 +19173 C CA . SER L 19 0.1422 0.7886 0.8241 -0.0160 -0.0397 0.0476 19 SER M CA ? ? 1 +19174 C CB . SER L 19 0.1296 0.7825 0.8177 -0.0166 -0.0415 0.0454 19 SER M CB ? ? 1 +19175 O OG . SER L 19 0.1207 0.7762 0.8140 -0.0177 -0.0406 0.0448 19 SER M OG ? ? 1 +19176 C C . SER L 19 0.1557 0.7990 0.8312 -0.0144 -0.0409 0.0481 19 SER M C ? ? 1 +19177 O O . SER L 19 0.1646 0.8046 0.8356 -0.0116 -0.0428 0.0486 19 SER M O ? ? 1 +19178 N N . VAL L 20 0.1655 0.8095 0.8403 -0.0160 -0.0397 0.0479 20 VAL M N ? ? 1 +19179 C CA . VAL L 20 0.1772 0.8181 0.8457 -0.0148 -0.0404 0.0483 20 VAL M CA ? ? 1 +19180 C CB . VAL L 20 0.1824 0.8255 0.8523 -0.0170 -0.0389 0.0476 20 VAL M CB ? ? 1 +19181 C CG1 . VAL L 20 0.1964 0.8349 0.8590 -0.0163 -0.0379 0.0485 20 VAL M CG1 ? ? 1 +19182 C CG2 . VAL L 20 0.1789 0.8275 0.8536 -0.0175 -0.0415 0.0452 20 VAL M CG2 ? ? 1 +19183 C C . VAL L 20 0.1809 0.8146 0.8419 -0.0136 -0.0387 0.0505 20 VAL M C ? ? 1 +19184 O O . VAL L 20 0.1915 0.8214 0.8460 -0.0111 -0.0405 0.0510 20 VAL M O ? ? 1 +19185 N N . PHE L 21 0.1731 0.8048 0.8348 -0.0154 -0.0353 0.0519 21 PHE M N ? ? 1 +19186 C CA . PHE L 21 0.1748 0.7994 0.8298 -0.0147 -0.0332 0.0541 21 PHE M CA ? ? 1 +19187 C CB . PHE L 21 0.1724 0.7967 0.8309 -0.0175 -0.0297 0.0550 21 PHE M CB ? ? 1 +19188 C CG . PHE L 21 0.1824 0.7993 0.8349 -0.0174 -0.0272 0.0572 21 PHE M CG ? ? 1 +19189 C CD1 . PHE L 21 0.1895 0.8016 0.8353 -0.0174 -0.0249 0.0585 21 PHE M CD1 ? ? 1 +19190 C CD2 . PHE L 21 0.1865 0.8008 0.8395 -0.0173 -0.0270 0.0578 21 PHE M CD2 ? ? 1 +19191 C CE1 . PHE L 21 0.1998 0.8045 0.8397 -0.0175 -0.0222 0.0606 21 PHE M CE1 ? ? 1 +19192 C CE2 . PHE L 21 0.1952 0.8019 0.8422 -0.0174 -0.0244 0.0598 21 PHE M CE2 ? ? 1 +19193 C CZ . PHE L 21 0.2017 0.8036 0.8422 -0.0176 -0.0220 0.0612 21 PHE M CZ ? ? 1 +19194 C C . PHE L 21 0.1746 0.7953 0.8253 -0.0114 -0.0358 0.0547 21 PHE M C ? ? 1 +19195 O O . PHE L 21 0.1771 0.7918 0.8197 -0.0092 -0.0362 0.0559 21 PHE M O ? ? 1 +19196 N N . LEU L 22 0.1692 0.7929 0.8249 -0.0108 -0.0376 0.0538 22 LEU M N ? ? 1 +19197 C CA . LEU L 22 0.1744 0.7951 0.8270 -0.0074 -0.0402 0.0540 22 LEU M CA ? ? 1 +19198 C CB . LEU L 22 0.1702 0.7951 0.8298 -0.0074 -0.0412 0.0528 22 LEU M CB ? ? 1 +19199 C CG . LEU L 22 0.1689 0.7922 0.8310 -0.0099 -0.0380 0.0537 22 LEU M CG ? ? 1 +19200 C CD1 . LEU L 22 0.1634 0.7913 0.8322 -0.0099 -0.0391 0.0523 22 LEU M CD1 ? ? 1 +19201 C CD2 . LEU L 22 0.1797 0.7944 0.8346 -0.0089 -0.0364 0.0559 22 LEU M CD2 ? ? 1 +19202 C C . LEU L 22 0.1749 0.7963 0.8242 -0.0042 -0.0442 0.0530 22 LEU M C ? ? 1 +19203 O O . LEU L 22 0.1850 0.8008 0.8272 -0.0010 -0.0458 0.0540 22 LEU M O ? ? 1 +19204 N N . ILE L 23 0.1679 0.7956 0.8217 -0.0051 -0.0459 0.0510 23 ILE M N ? ? 1 +19205 C CA . ILE L 23 0.1717 0.8009 0.8232 -0.0025 -0.0499 0.0496 23 ILE M CA ? ? 1 +19206 C CB . ILE L 23 0.1665 0.8040 0.8256 -0.0044 -0.0514 0.0470 23 ILE M CB ? ? 1 +19207 C CG1 . ILE L 23 0.1621 0.8059 0.8302 -0.0051 -0.0521 0.0455 23 ILE M CG1 ? ? 1 +19208 C CG2 . ILE L 23 0.1707 0.8096 0.8272 -0.0023 -0.0555 0.0453 23 ILE M CG2 ? ? 1 +19209 C CD1 . ILE L 23 0.1536 0.8048 0.8294 -0.0078 -0.0523 0.0432 23 ILE M CD1 ? ? 1 +19210 C C . ILE L 23 0.1772 0.7997 0.8188 -0.0012 -0.0496 0.0510 23 ILE M C ? ? 1 +19211 O O . ILE L 23 0.1844 0.8036 0.8200 0.0023 -0.0526 0.0510 23 ILE M O ? ? 1 +19212 N N . ILE L 24 0.1738 0.7941 0.8134 -0.0038 -0.0458 0.0521 24 ILE M N ? ? 1 +19213 C CA . ILE L 24 0.1814 0.7947 0.8113 -0.0027 -0.0446 0.0536 24 ILE M CA ? ? 1 +19214 C CB . ILE L 24 0.1798 0.7923 0.8097 -0.0061 -0.0398 0.0546 24 ILE M CB ? ? 1 +19215 C CG1 . ILE L 24 0.1722 0.7914 0.8081 -0.0081 -0.0403 0.0525 24 ILE M CG1 ? ? 1 +19216 C CG2 . ILE L 24 0.1901 0.7945 0.8095 -0.0050 -0.0378 0.0565 24 ILE M CG2 ? ? 1 +19217 C CD1 . ILE L 24 0.1678 0.7885 0.8074 -0.0116 -0.0358 0.0530 24 ILE M CD1 ? ? 1 +19218 C C . ILE L 24 0.1887 0.7938 0.8105 0.0001 -0.0445 0.0558 24 ILE M C ? ? 1 +19219 O O . ILE L 24 0.1982 0.7985 0.8118 0.0033 -0.0469 0.0562 24 ILE M O ? ? 1 +19220 N N . LEU L 25 0.1856 0.7888 0.8093 -0.0012 -0.0418 0.0572 25 LEU M N ? ? 1 +19221 C CA . LEU L 25 0.1936 0.7880 0.8093 0.0011 -0.0411 0.0594 25 LEU M CA ? ? 1 +19222 C CB . LEU L 25 0.1916 0.7842 0.8105 -0.0014 -0.0375 0.0606 25 LEU M CB ? ? 1 +19223 C CG . LEU L 25 0.1899 0.7814 0.8097 -0.0057 -0.0320 0.0618 25 LEU M CG ? ? 1 +19224 C CD1 . LEU L 25 0.1897 0.7782 0.8111 -0.0076 -0.0291 0.0629 25 LEU M CD1 ? ? 1 +19225 C CD2 . LEU L 25 0.1993 0.7839 0.8096 -0.0053 -0.0297 0.0634 25 LEU M CD2 ? ? 1 +19226 C C . LEU L 25 0.1961 0.7896 0.8092 0.0057 -0.0461 0.0587 25 LEU M C ? ? 1 +19227 O O . LEU L 25 0.2061 0.7918 0.8094 0.0090 -0.0471 0.0601 25 LEU M O ? ? 1 +19228 N N . TYR L 26 0.1880 0.7896 0.8099 0.0061 -0.0492 0.0564 26 TYR M N ? ? 1 +19229 C CA . TYR L 26 0.1921 0.7944 0.8132 0.0105 -0.0541 0.0554 26 TYR M CA ? ? 1 +19230 C CB . TYR L 26 0.1828 0.7949 0.8153 0.0100 -0.0562 0.0528 26 TYR M CB ? ? 1 +19231 C CG . TYR L 26 0.1881 0.8023 0.8207 0.0147 -0.0615 0.0513 26 TYR M CG ? ? 1 +19232 C CD1 . TYR L 26 0.1968 0.8049 0.8240 0.0186 -0.0626 0.0526 26 TYR M CD1 ? ? 1 +19233 C CD2 . TYR L 26 0.1857 0.8079 0.8235 0.0154 -0.0654 0.0485 26 TYR M CD2 ? ? 1 +19234 C CE1 . TYR L 26 0.2026 0.8129 0.8299 0.0234 -0.0677 0.0511 26 TYR M CE1 ? ? 1 +19235 C CE2 . TYR L 26 0.1909 0.8159 0.8295 0.0197 -0.0704 0.0468 26 TYR M CE2 ? ? 1 +19236 C CZ . TYR L 26 0.1989 0.8181 0.8322 0.0240 -0.0717 0.0482 26 TYR M CZ ? ? 1 +19237 O OH . TYR L 26 0.2057 0.8281 0.8400 0.0287 -0.0769 0.0464 26 TYR M OH ? ? 1 +19238 C C . TYR L 26 0.1975 0.7989 0.8126 0.0135 -0.0579 0.0545 26 TYR M C ? ? 1 +19239 O O . TYR L 26 0.2071 0.8023 0.8139 0.0178 -0.0604 0.0554 26 TYR M O ? ? 1 +19240 N N . VAL L 27 0.1928 0.7997 0.8113 0.0114 -0.0584 0.0528 27 VAL M N ? ? 1 +19241 C CA . VAL L 27 0.1996 0.8066 0.8135 0.0139 -0.0624 0.0515 27 VAL M CA ? ? 1 +19242 C CB . VAL L 27 0.1903 0.8049 0.8107 0.0107 -0.0626 0.0491 27 VAL M CB ? ? 1 +19243 C CG1 . VAL L 27 0.1974 0.8112 0.8121 0.0129 -0.0665 0.0477 27 VAL M CG1 ? ? 1 +19244 C CG2 . VAL L 27 0.1783 0.8028 0.8111 0.0090 -0.0640 0.0467 27 VAL M CG2 ? ? 1 +19245 C C . VAL L 27 0.2153 0.8117 0.8157 0.0161 -0.0614 0.0538 27 VAL M C ? ? 1 +19246 O O . VAL L 27 0.2238 0.8169 0.8173 0.0202 -0.0655 0.0535 27 VAL M O ? ? 1 +19247 N N . GLN L 28 0.2211 0.8119 0.8175 0.0134 -0.0560 0.0562 28 GLN M N ? ? 1 +19248 C CA . GLN L 28 0.2354 0.8157 0.8188 0.0151 -0.0543 0.0585 28 GLN M CA ? ? 1 +19249 C CB . GLN L 28 0.2320 0.8098 0.8142 0.0109 -0.0480 0.0601 28 GLN M CB ? ? 1 +19250 C CG . GLN L 28 0.2252 0.8016 0.8111 0.0078 -0.0430 0.0619 28 GLN M CG ? ? 1 +19251 C CD . GLN L 28 0.2346 0.8000 0.8104 0.0095 -0.0408 0.0648 28 GLN M CD ? ? 1 +19252 O OE1 . GLN L 28 0.2453 0.8025 0.8100 0.0111 -0.0397 0.0664 28 GLN M OE1 ? ? 1 +19253 N NE2 . GLN L 28 0.2325 0.7968 0.8114 0.0092 -0.0400 0.0656 28 GLN M NE2 ? ? 1 +19254 C C . GLN L 28 0.2534 0.8251 0.8289 0.0186 -0.0546 0.0607 28 GLN M C ? ? 1 +19255 O O . GLN L 28 0.2671 0.8297 0.8305 0.0213 -0.0547 0.0624 28 GLN M O ? ? 1 +19256 N N . THR L 29 0.2601 0.8339 0.8416 0.0187 -0.0549 0.0607 29 THR M N ? ? 1 +19257 C CA . THR L 29 0.2822 0.8482 0.8566 0.0226 -0.0561 0.0624 29 THR M CA ? ? 1 +19258 C CB . THR L 29 0.2747 0.8431 0.8568 0.0213 -0.0546 0.0625 29 THR M CB ? ? 1 +19259 O OG1 . THR L 29 0.2680 0.8375 0.8548 0.0160 -0.0491 0.0633 29 THR M OG1 ? ? 1 +19260 C CG2 . THR L 29 0.2855 0.8441 0.8592 0.0250 -0.0549 0.0646 29 THR M CG2 ? ? 1 +19261 C C . THR L 29 0.3066 0.8734 0.8776 0.0282 -0.0628 0.0608 29 THR M C ? ? 1 +19262 O O . THR L 29 0.3194 0.8768 0.8786 0.0323 -0.0642 0.0625 29 THR M O ? ? 1 +19263 N N . GLU L 30 0.3191 0.8971 0.9006 0.0283 -0.0667 0.0577 30 GLU M N ? ? 1 +19264 C CA . GLU L 30 0.3440 0.9252 0.9249 0.0331 -0.0734 0.0555 30 GLU M CA ? ? 1 +19265 C CB . GLU L 30 0.3347 0.9295 0.9296 0.0314 -0.0762 0.0519 30 GLU M CB ? ? 1 +19266 C CG . GLU L 30 0.3341 0.9342 0.9385 0.0312 -0.0760 0.0512 30 GLU M CG ? ? 1 +19267 C CD . GLU L 30 0.3528 0.9506 0.9542 0.0371 -0.0802 0.0511 30 GLU M CD ? ? 1 +19268 O OE1 . GLU L 30 0.3600 0.9476 0.9524 0.0394 -0.0786 0.0538 30 GLU M OE1 ? ? 1 +19269 O OE2 . GLU L 30 0.3714 0.9773 0.9789 0.0396 -0.0853 0.0481 30 GLU M OE2 ? ? 1 +19270 C C . GLU L 30 0.3776 0.9535 0.9477 0.0355 -0.0757 0.0556 30 GLU M C ? ? 1 +19271 O O . GLU L 30 0.4145 0.9863 0.9772 0.0408 -0.0803 0.0555 30 GLU M O ? ? 1 +19272 N N . SER L 31 0.3950 0.9708 0.9637 0.0319 -0.0727 0.0558 31 SER M N ? ? 1 +19273 C CA . SER L 31 0.4248 0.9956 0.9832 0.0338 -0.0746 0.0557 31 SER M CA ? ? 1 +19274 C CB . SER L 31 0.4195 0.9948 0.9819 0.0293 -0.0721 0.0545 31 SER M CB ? ? 1 +19275 O OG . SER L 31 0.4127 0.9832 0.9728 0.0256 -0.0653 0.0571 31 SER M OG ? ? 1 +19276 C C . SER L 31 0.4708 1.0275 1.0135 0.0363 -0.0722 0.0592 31 SER M C ? ? 1 +19277 O O . SER L 31 0.4956 1.0467 1.0279 0.0388 -0.0741 0.0593 31 SER M O ? ? 1 +19278 N N . GLN L 32 0.5069 1.0573 1.0474 0.0356 -0.0679 0.0619 32 GLN M N ? ? 1 +19279 C CA . GLN L 32 0.5528 1.0892 1.0783 0.0382 -0.0657 0.0653 32 GLN M CA ? ? 1 +19280 C CB . GLN L 32 0.5367 1.0679 1.0627 0.0351 -0.0594 0.0680 32 GLN M CB ? ? 1 +19281 C CG . GLN L 32 0.5108 1.0441 1.0413 0.0289 -0.0529 0.0687 32 GLN M CG ? ? 1 +19282 C CD . GLN L 32 0.5084 1.0387 1.0419 0.0256 -0.0476 0.0707 32 GLN M CD ? ? 1 +19283 O OE1 . GLN L 32 0.5372 1.0573 1.0619 0.0275 -0.0461 0.0731 32 GLN M OE1 ? ? 1 +19284 N NE2 . GLN L 32 0.4876 1.0261 1.0329 0.0206 -0.0445 0.0697 32 GLN M NE2 ? ? 1 +19285 C C . GLN L 32 0.6214 1.1532 1.1395 0.0449 -0.0717 0.0652 32 GLN M C ? ? 1 +19286 O O . GLN L 32 0.6252 1.1652 1.1519 0.0470 -0.0765 0.0628 32 GLN M O ? ? 1 +19287 N N . GLN L 33 0.7595 1.2782 1.2618 0.0484 -0.0713 0.0677 33 GLN M N ? ? 1 +19288 C CA . GLN L 33 0.9326 1.4455 1.4267 0.0553 -0.0767 0.0680 33 GLN M CA ? ? 1 +19289 C CB . GLN L 33 1.0173 1.5236 1.4979 0.0598 -0.0808 0.0679 33 GLN M CB ? ? 1 +19290 C CG . GLN L 33 1.0571 1.5593 1.5304 0.0676 -0.0879 0.0675 33 GLN M CG ? ? 1 +19291 C CD . GLN L 33 1.0864 1.6008 1.5741 0.0690 -0.0926 0.0646 33 GLN M CD ? ? 1 +19292 O OE1 . GLN L 33 1.0622 1.5765 1.5549 0.0685 -0.0905 0.0656 33 GLN M OE1 ? ? 1 +19293 N NE2 . GLN L 33 1.1169 1.6418 1.6115 0.0709 -0.0991 0.0608 33 GLN M NE2 ? ? 1 +19294 C C . GLN L 33 1.0120 1.5131 1.4982 0.0564 -0.0730 0.0715 33 GLN M C ? ? 1 +19295 O O . GLN L 33 1.0462 1.5476 1.5346 0.0598 -0.0760 0.0713 33 GLN M O ? ? 1 +19296 O OXT . GLN L 33 1.0411 1.5323 1.5188 0.0538 -0.0668 0.0745 33 GLN M OXT ? ? 1 +19297 N N . THR M 1 0.6492 1.3622 1.3975 -0.0559 0.2575 -0.0325 4 THR O N ? ? 1 +19298 C CA . THR M 1 0.6467 1.3501 1.3819 -0.0483 0.2546 -0.0319 4 THR O CA ? ? 1 +19299 C CB . THR M 1 0.6706 1.3798 1.4102 -0.0457 0.2647 -0.0353 4 THR O CB ? ? 1 +19300 O OG1 . THR M 1 0.6830 1.3846 1.4121 -0.0378 0.2607 -0.0352 4 THR O OG1 ? ? 1 +19301 C CG2 . THR M 1 0.6621 1.3952 1.4288 -0.0463 0.2675 -0.0398 4 THR O CG2 ? ? 1 +19302 C C . THR M 1 0.6094 1.3176 1.3500 -0.0424 0.2417 -0.0318 4 THR O C ? ? 1 +19303 O O . THR M 1 0.5998 1.3126 1.3440 -0.0358 0.2399 -0.0338 4 THR O O ? ? 1 +19304 N N . LEU M 2 0.5637 1.2698 1.3037 -0.0447 0.2329 -0.0293 5 LEU O N ? ? 1 +19305 C CA . LEU M 2 0.5238 1.2357 1.2707 -0.0402 0.2209 -0.0291 5 LEU O CA ? ? 1 +19306 C CB . LEU M 2 0.5136 1.2316 1.2697 -0.0450 0.2147 -0.0279 5 LEU O CB ? ? 1 +19307 C CG . LEU M 2 0.5104 1.2448 1.2860 -0.0509 0.2206 -0.0308 5 LEU O CG ? ? 1 +19308 C CD1 . LEU M 2 0.4881 1.2318 1.2760 -0.0535 0.2122 -0.0305 5 LEU O CD1 ? ? 1 +19309 C CD2 . LEU M 2 0.5169 1.2678 1.3095 -0.0477 0.2257 -0.0353 5 LEU O CD2 ? ? 1 +19310 C C . LEU M 2 0.5011 1.1970 1.2293 -0.0351 0.2142 -0.0264 5 LEU O C ? ? 1 +19311 O O . LEU M 2 0.5260 1.2054 1.2352 -0.0365 0.2164 -0.0238 5 LEU O O ? ? 1 +19312 N N . THR M 3 0.4586 1.1595 1.1921 -0.0289 0.2061 -0.0273 6 THR O N ? ? 1 +19313 C CA . THR M 3 0.4328 1.1203 1.1508 -0.0240 0.1987 -0.0251 6 THR O CA ? ? 1 +19314 C CB . THR M 3 0.4312 1.1219 1.1517 -0.0168 0.1982 -0.0276 6 THR O CB ? ? 1 +19315 O OG1 . THR M 3 0.4185 1.1255 1.1580 -0.0144 0.1927 -0.0296 6 THR O OG1 ? ? 1 +19316 C CG2 . THR M 3 0.4401 1.1315 1.1596 -0.0160 0.2096 -0.0300 6 THR O CG2 ? ? 1 +19317 C C . THR M 3 0.3975 1.0856 1.1179 -0.0242 0.1873 -0.0230 6 THR O C ? ? 1 +19318 O O . THR M 3 0.3787 1.0791 1.1141 -0.0272 0.1850 -0.0236 6 THR O O ? ? 1 +19319 N N . TYR M 4 0.3794 1.0546 1.0852 -0.0210 0.1804 -0.0207 7 TYR O N ? ? 1 +19320 C CA . TYR M 4 0.3556 1.0296 1.0615 -0.0209 0.1697 -0.0185 7 TYR O CA ? ? 1 +19321 C CB . TYR M 4 0.3547 1.0139 1.0436 -0.0167 0.1638 -0.0166 7 TYR O CB ? ? 1 +19322 C CG . TYR M 4 0.3392 0.9964 1.0273 -0.0165 0.1530 -0.0143 7 TYR O CG ? ? 1 +19323 C CD1 . TYR M 4 0.3328 0.9840 1.0148 -0.0210 0.1504 -0.0116 7 TYR O CD1 ? ? 1 +19324 C CD2 . TYR M 4 0.3298 0.9909 1.0230 -0.0116 0.1455 -0.0150 7 TYR O CD2 ? ? 1 +19325 C CE1 . TYR M 4 0.3204 0.9700 1.0019 -0.0207 0.1408 -0.0096 7 TYR O CE1 ? ? 1 +19326 C CE2 . TYR M 4 0.3166 0.9759 1.0092 -0.0115 0.1361 -0.0129 7 TYR O CE2 ? ? 1 +19327 C CZ . TYR M 4 0.3123 0.9661 0.9993 -0.0161 0.1338 -0.0103 7 TYR O CZ ? ? 1 +19328 O OH . TYR M 4 0.3026 0.9548 0.9890 -0.0159 0.1247 -0.0084 7 TYR O OH ? ? 1 +19329 C C . TYR M 4 0.3377 1.0274 1.0622 -0.0185 0.1639 -0.0203 7 TYR O C ? ? 1 +19330 O O . TYR M 4 0.3207 1.0158 1.0525 -0.0211 0.1583 -0.0193 7 TYR O O ? ? 1 +19331 N N . ASP M 5 0.3416 1.0383 1.0733 -0.0133 0.1652 -0.0231 8 ASP O N ? ? 1 +19332 C CA . ASP M 5 0.3337 1.0452 1.0826 -0.0102 0.1601 -0.0251 8 ASP O CA ? ? 1 +19333 C CB . ASP M 5 0.3370 1.0517 1.0887 -0.0033 0.1616 -0.0277 8 ASP O CB ? ? 1 +19334 C CG . ASP M 5 0.3416 1.0426 1.0782 0.0016 0.1563 -0.0263 8 ASP O CG ? ? 1 +19335 O OD1 . ASP M 5 0.3272 1.0266 1.0634 0.0033 0.1471 -0.0248 8 ASP O OD1 ? ? 1 +19336 O OD2 . ASP M 5 0.3571 1.0489 1.0823 0.0038 0.1615 -0.0269 8 ASP O OD2 ? ? 1 +19337 C C . ASP M 5 0.3315 1.0589 1.0985 -0.0146 0.1632 -0.0269 8 ASP O C ? ? 1 +19338 O O . ASP M 5 0.3274 1.0653 1.1070 -0.0140 0.1568 -0.0274 8 ASP O O ? ? 1 +19339 N N . ASP M 6 0.3382 1.0674 1.1065 -0.0191 0.1728 -0.0279 9 ASP O N ? ? 1 +19340 C CA . ASP M 6 0.3361 1.0788 1.1202 -0.0245 0.1758 -0.0294 9 ASP O CA ? ? 1 +19341 C CB . ASP M 6 0.3525 1.0969 1.1377 -0.0287 0.1880 -0.0311 9 ASP O CB ? ? 1 +19342 C CG . ASP M 6 0.3605 1.1086 1.1481 -0.0240 0.1945 -0.0340 9 ASP O CG ? ? 1 +19343 O OD1 . ASP M 6 0.3605 1.1211 1.1617 -0.0192 0.1916 -0.0367 9 ASP O OD1 ? ? 1 +19344 O OD2 . ASP M 6 0.3748 1.1130 1.1504 -0.0250 0.2025 -0.0337 9 ASP O OD2 ? ? 1 +19345 C C . ASP M 6 0.3253 1.0645 1.1071 -0.0299 0.1707 -0.0266 9 ASP O C ? ? 1 +19346 O O . ASP M 6 0.3172 1.0686 1.1136 -0.0323 0.1678 -0.0277 9 ASP O O ? ? 1 +19347 N N . ILE M 7 0.3298 1.0523 1.0933 -0.0315 0.1695 -0.0232 10 ILE O N ? ? 1 +19348 C CA . ILE M 7 0.3200 1.0375 1.0795 -0.0366 0.1656 -0.0204 10 ILE O CA ? ? 1 +19349 C CB . ILE M 7 0.3346 1.0350 1.0747 -0.0398 0.1707 -0.0178 10 ILE O CB ? ? 1 +19350 C CG1 . ILE M 7 0.3484 1.0514 1.0912 -0.0443 0.1824 -0.0194 10 ILE O CG1 ? ? 1 +19351 C CG2 . ILE M 7 0.3326 1.0241 1.0642 -0.0436 0.1654 -0.0144 10 ILE O CG2 ? ? 1 +19352 C CD1 . ILE M 7 0.3659 1.0522 1.0891 -0.0453 0.1891 -0.0176 10 ILE O CD1 ? ? 1 +19353 C C . ILE M 7 0.3020 1.0179 1.0604 -0.0341 0.1541 -0.0185 10 ILE O C ? ? 1 +19354 O O . ILE M 7 0.2960 1.0146 1.0588 -0.0377 0.1500 -0.0173 10 ILE O O ? ? 1 +19355 N N . VAL M 8 0.2927 1.0036 1.0450 -0.0280 0.1491 -0.0181 11 VAL O N ? ? 1 +19356 C CA . VAL M 8 0.2773 0.9830 1.0246 -0.0261 0.1390 -0.0157 11 VAL O CA ? ? 1 +19357 C CB . VAL M 8 0.2768 0.9761 1.0165 -0.0195 0.1347 -0.0156 11 VAL O CB ? ? 1 +19358 C CG1 . VAL M 8 0.2716 0.9834 1.0250 -0.0145 0.1341 -0.0187 11 VAL O CG1 ? ? 1 +19359 C CG2 . VAL M 8 0.2706 0.9620 1.0025 -0.0186 0.1253 -0.0128 11 VAL O CG2 ? ? 1 +19360 C C . VAL M 8 0.2596 0.9781 1.0224 -0.0270 0.1330 -0.0163 11 VAL O C ? ? 1 +19361 O O . VAL M 8 0.2585 0.9907 1.0362 -0.0252 0.1336 -0.0192 11 VAL O O ? ? 1 +19362 N N . GLY M 9 0.2503 0.9646 1.0094 -0.0297 0.1271 -0.0138 12 GLY O N ? ? 1 +19363 C CA . GLY M 9 0.2326 0.9575 1.0045 -0.0306 0.1209 -0.0141 12 GLY O CA ? ? 1 +19364 C C . GLY M 9 0.2245 0.9595 1.0082 -0.0363 0.1247 -0.0155 12 GLY O C ? ? 1 +19365 O O . GLY M 9 0.2122 0.9542 1.0046 -0.0378 0.1194 -0.0155 12 GLY O O ? ? 1 +19366 N N . THR M 10 0.2275 0.9626 1.0111 -0.0398 0.1339 -0.0167 13 THR O N ? ? 1 +19367 C CA . THR M 10 0.2229 0.9683 1.0188 -0.0454 0.1384 -0.0185 13 THR O CA ? ? 1 +19368 C CB . THR M 10 0.2288 0.9782 1.0284 -0.0470 0.1489 -0.0210 13 THR O CB ? ? 1 +19369 O OG1 . THR M 10 0.2374 0.9720 1.0206 -0.0495 0.1549 -0.0189 13 THR O OG1 ? ? 1 +19370 C CG2 . THR M 10 0.2294 0.9857 1.0351 -0.0406 0.1497 -0.0236 13 THR O CG2 ? ? 1 +19371 C C . THR M 10 0.2237 0.9615 1.0127 -0.0516 0.1384 -0.0160 13 THR O C ? ? 1 +19372 O O . THR M 10 0.2235 0.9700 1.0233 -0.0560 0.1387 -0.0172 13 THR O O ? ? 1 +19373 N N . GLY M 11 0.2279 0.9495 0.9989 -0.0518 0.1382 -0.0128 14 GLY O N ? ? 1 +19374 C CA . GLY M 11 0.2279 0.9406 0.9906 -0.0573 0.1391 -0.0105 14 GLY O CA ? ? 1 +19375 C C . GLY M 11 0.2392 0.9439 0.9931 -0.0613 0.1492 -0.0102 14 GLY O C ? ? 1 +19376 O O . GLY M 11 0.2414 0.9358 0.9850 -0.0652 0.1503 -0.0079 14 GLY O O ? ? 1 +19377 N N . LEU M 12 0.2460 0.9557 1.0044 -0.0603 0.1565 -0.0127 15 LEU O N ? ? 1 +19378 C CA . LEU M 12 0.2591 0.9614 1.0092 -0.0637 0.1668 -0.0127 15 LEU O CA ? ? 1 +19379 C CB . LEU M 12 0.2654 0.9771 1.0245 -0.0617 0.1740 -0.0161 15 LEU O CB ? ? 1 +19380 C CG . LEU M 12 0.2649 0.9944 1.0446 -0.0656 0.1796 -0.0199 15 LEU O CG ? ? 1 +19381 C CD1 . LEU M 12 0.2738 0.9995 1.0511 -0.0732 0.1884 -0.0197 15 LEU O CD1 ? ? 1 +19382 C CD2 . LEU M 12 0.2527 0.9955 1.0481 -0.0658 0.1716 -0.0211 15 LEU O CD2 ? ? 1 +19383 C C . LEU M 12 0.2678 0.9508 0.9956 -0.0622 0.1671 -0.0094 15 LEU O C ? ? 1 +19384 O O . LEU M 12 0.2767 0.9496 0.9937 -0.0661 0.1735 -0.0080 15 LEU O O ? ? 1 +19385 N N . ALA M 13 0.2646 0.9423 0.9851 -0.0564 0.1599 -0.0082 16 ALA O N ? ? 1 +19386 C CA . ALA M 13 0.2739 0.9341 0.9739 -0.0545 0.1587 -0.0053 16 ALA O CA ? ? 1 +19387 C CB . ALA M 13 0.2679 0.9265 0.9649 -0.0482 0.1501 -0.0048 16 ALA O CB ? ? 1 +19388 C C . ALA M 13 0.2767 0.9259 0.9657 -0.0585 0.1569 -0.0021 16 ALA O C ? ? 1 +19389 O O . ALA M 13 0.2859 0.9202 0.9576 -0.0584 0.1590 0.0000 16 ALA O O ? ? 1 +19390 N N . ASN M 14 0.2693 0.9255 0.9681 -0.0617 0.1529 -0.0019 17 ASN O N ? ? 1 +19391 C CA . ASN M 14 0.2753 0.9223 0.9655 -0.0658 0.1516 0.0007 17 ASN O CA ? ? 1 +19392 C CB . ASN M 14 0.2595 0.9120 0.9569 -0.0651 0.1418 0.0015 17 ASN O CB ? ? 1 +19393 C CG . ASN M 14 0.2609 0.9022 0.9471 -0.0675 0.1386 0.0045 17 ASN O CG ? ? 1 +19394 O OD1 . ASN M 14 0.2689 0.8958 0.9382 -0.0664 0.1390 0.0068 17 ASN O OD1 ? ? 1 +19395 N ND2 . ASN M 14 0.2522 0.8997 0.9472 -0.0707 0.1354 0.0046 17 ASN O ND2 ? ? 1 +19396 C C . ASN M 14 0.2901 0.9378 0.9831 -0.0725 0.1599 0.0002 17 ASN O C ? ? 1 +19397 O O . ASN M 14 0.2899 0.9321 0.9786 -0.0763 0.1586 0.0021 17 ASN O O ? ? 1 +19398 N N . LYS M 15 0.3082 0.9625 1.0083 -0.0741 0.1685 -0.0023 18 LYS O N ? ? 1 +19399 C CA . LYS M 15 0.3265 0.9810 1.0289 -0.0808 0.1775 -0.0030 18 LYS O CA ? ? 1 +19400 C CB . LYS M 15 0.3298 1.0031 1.0538 -0.0832 0.1816 -0.0070 18 LYS O CB ? ? 1 +19401 C CG . LYS M 15 0.3245 1.0124 1.0656 -0.0831 0.1739 -0.0086 18 LYS O CG ? ? 1 +19402 C CD . LYS M 15 0.3343 1.0195 1.0751 -0.0881 0.1708 -0.0070 18 LYS O CD ? ? 1 +19403 C CE . LYS M 15 0.3313 1.0336 1.0923 -0.0899 0.1664 -0.0096 18 LYS O CE ? ? 1 +19404 N NZ . LYS M 15 0.3261 1.0368 1.0945 -0.0834 0.1575 -0.0103 18 LYS O NZ ? ? 1 +19405 C C . LYS M 15 0.3452 0.9865 1.0319 -0.0814 0.1864 -0.0020 18 LYS O C ? ? 1 +19406 O O . LYS M 15 0.3457 0.9845 1.0271 -0.0768 0.1879 -0.0026 18 LYS O O ? ? 1 +19407 N N . CYS M 16 0.3598 0.9917 1.0382 -0.0870 0.1923 -0.0005 19 CYS O N ? ? 1 +19408 C CA . CYS M 16 0.3790 0.9983 1.0427 -0.0884 0.2019 0.0004 19 CYS O CA ? ? 1 +19409 C CB . CYS M 16 0.3833 0.9864 1.0310 -0.0924 0.2037 0.0036 19 CYS O CB ? ? 1 +19410 S SG . CYS M 16 0.3710 0.9603 1.0023 -0.0877 0.1922 0.0074 19 CYS O SG ? ? 1 +19411 C C . CYS M 16 0.3943 1.0247 1.0710 -0.0920 0.2121 -0.0030 19 CYS O C ? ? 1 +19412 O O . CYS M 16 0.3878 1.0333 1.0830 -0.0954 0.2121 -0.0054 19 CYS O O ? ? 1 +19413 N N . PRO M 17 0.4258 1.0499 1.0937 -0.0913 0.2208 -0.0034 20 PRO O N ? ? 1 +19414 C CA . PRO M 17 0.4398 1.0734 1.1191 -0.0956 0.2318 -0.0064 20 PRO O CA ? ? 1 +19415 C CB . PRO M 17 0.4516 1.0727 1.1146 -0.0933 0.2397 -0.0058 20 PRO O CB ? ? 1 +19416 C CG . PRO M 17 0.4490 1.0606 1.0986 -0.0859 0.2308 -0.0037 20 PRO O CG ? ? 1 +19417 C CD . PRO M 17 0.4382 1.0465 1.0857 -0.0863 0.2207 -0.0012 20 PRO O CD ? ? 1 +19418 C C . PRO M 17 0.4625 1.0962 1.1459 -0.1039 0.2372 -0.0063 20 PRO O C ? ? 1 +19419 O O . PRO M 17 0.4610 1.0822 1.1324 -0.1064 0.2349 -0.0033 20 PRO O O ? ? 1 +19420 N N . THR M 18 0.4954 1.1438 1.1964 -0.1082 0.2442 -0.0099 21 THR O N ? ? 1 +19421 C CA . THR M 18 0.5253 1.1735 1.2298 -0.1167 0.2525 -0.0104 21 THR O CA ? ? 1 +19422 C CB . THR M 18 0.5218 1.1898 1.2505 -0.1205 0.2498 -0.0137 21 THR O CB ? ? 1 +19423 O OG1 . THR M 18 0.5179 1.2025 1.2623 -0.1151 0.2462 -0.0169 21 THR O OG1 ? ? 1 +19424 C CG2 . THR M 18 0.5162 1.1826 1.2452 -0.1215 0.2398 -0.0119 21 THR O CG2 ? ? 1 +19425 C C . THR M 18 0.5589 1.2052 1.2607 -0.1190 0.2657 -0.0119 21 THR O C ? ? 1 +19426 O O . THR M 18 0.5534 1.2036 1.2563 -0.1141 0.2678 -0.0134 21 THR O O ? ? 1 +19427 N N . LEU M 19 0.6017 1.2414 1.2996 -0.1267 0.2747 -0.0114 22 LEU O N ? ? 1 +19428 C CA . LEU M 19 0.6326 1.2736 1.3322 -0.1307 0.2884 -0.0134 22 LEU O CA ? ? 1 +19429 C CB . LEU M 19 0.6481 1.2666 1.3245 -0.1348 0.2964 -0.0099 22 LEU O CB ? ? 1 +19430 C CG . LEU M 19 0.6538 1.2523 1.3048 -0.1284 0.2931 -0.0059 22 LEU O CG ? ? 1 +19431 C CD1 . LEU M 19 0.6696 1.2464 1.2984 -0.1326 0.3012 -0.0026 22 LEU O CD1 ? ? 1 +19432 C CD2 . LEU M 19 0.6532 1.2555 1.3039 -0.1219 0.2950 -0.0076 22 LEU O CD2 ? ? 1 +19433 C C . LEU M 19 0.6556 1.3161 1.3798 -0.1373 0.2923 -0.0175 22 LEU O C ? ? 1 +19434 O O . LEU M 19 0.6396 1.3079 1.3747 -0.1397 0.2853 -0.0180 22 LEU O O ? ? 1 +19435 N N . ASP M 20 0.7216 1.3903 1.4547 -0.1401 0.3035 -0.0206 23 ASP O N ? ? 1 +19436 C CA . ASP M 20 0.7637 1.4512 1.5204 -0.1468 0.3085 -0.0249 23 ASP O CA ? ? 1 +19437 C CB . ASP M 20 0.7907 1.4880 1.5567 -0.1475 0.3203 -0.0285 23 ASP O CB ? ? 1 +19438 C CG . ASP M 20 0.8260 1.5500 1.6212 -0.1476 0.3188 -0.0339 23 ASP O CG ? ? 1 +19439 O OD1 . ASP M 20 0.8131 1.5472 1.6171 -0.1411 0.3076 -0.0347 23 ASP O OD1 ? ? 1 +19440 O OD2 . ASP M 20 0.8998 1.6349 1.7093 -0.1541 0.3289 -0.0374 23 ASP O OD2 ? ? 1 +19441 C C . ASP M 20 0.7961 1.4752 1.5487 -0.1560 0.3130 -0.0236 23 ASP O C ? ? 1 +19442 O O . ASP M 20 0.7952 1.4529 1.5254 -0.1574 0.3154 -0.0195 23 ASP O O ? ? 1 +19443 N N . ASP M 21 0.8402 1.5359 1.6143 -0.1623 0.3140 -0.0272 24 ASP O N ? ? 1 +19444 C CA . ASP M 21 0.8794 1.5686 1.6517 -0.1719 0.3196 -0.0266 24 ASP O CA ? ? 1 +19445 C CB . ASP M 21 0.9027 1.6123 1.7003 -0.1768 0.3155 -0.0307 24 ASP O CB ? ? 1 +19446 C CG . ASP M 21 0.9566 1.6656 1.7537 -0.1734 0.3011 -0.0288 24 ASP O CG ? ? 1 +19447 O OD1 . ASP M 21 0.9885 1.6789 1.7672 -0.1747 0.2985 -0.0247 24 ASP O OD1 ? ? 1 +19448 O OD2 . ASP M 21 0.9901 1.7169 1.8046 -0.1692 0.2924 -0.0315 24 ASP O OD2 ? ? 1 +19449 C C . ASP M 21 0.8619 1.5429 1.6271 -0.1782 0.3353 -0.0269 24 ASP O C ? ? 1 +19450 O O . ASP M 21 0.8563 1.5266 1.6142 -0.1859 0.3411 -0.0255 24 ASP O O ? ? 1 +19451 N N . THR M 22 0.8594 1.5445 1.6256 -0.1748 0.3423 -0.0285 25 THR O N ? ? 1 +19452 C CA . THR M 22 0.8850 1.5603 1.6415 -0.1796 0.3574 -0.0283 25 THR O CA ? ? 1 +19453 C CB . THR M 22 0.8881 1.5742 1.6522 -0.1752 0.3641 -0.0313 25 THR O CB ? ? 1 +19454 O OG1 . THR M 22 0.9001 1.5704 1.6425 -0.1671 0.3621 -0.0279 25 THR O OG1 ? ? 1 +19455 C CG2 . THR M 22 0.8591 1.5718 1.6502 -0.1712 0.3574 -0.0361 25 THR O CG2 ? ? 1 +19456 C C . THR M 22 0.8935 1.5400 1.6182 -0.1786 0.3592 -0.0225 25 THR O C ? ? 1 +19457 O O . THR M 22 0.9062 1.5398 1.6198 -0.1852 0.3702 -0.0212 25 THR O O ? ? 1 +19458 N N . ALA M 23 0.8951 1.5319 1.6058 -0.1702 0.3483 -0.0193 26 ALA O N ? ? 1 +19459 C CA . ALA M 23 0.8969 1.5077 1.5775 -0.1671 0.3488 -0.0141 26 ALA O CA ? ? 1 +19460 C CB . ALA M 23 0.8732 1.4809 1.5457 -0.1568 0.3361 -0.0122 26 ALA O CB ? ? 1 +19461 C C . ALA M 23 0.9001 1.4935 1.5663 -0.1730 0.3492 -0.0106 26 ALA O C ? ? 1 +19462 O O . ALA M 23 0.8834 1.4710 1.5436 -0.1705 0.3382 -0.0081 26 ALA O O ? ? 1 +19463 N N . ARG M 24 0.9358 1.5211 1.5967 -0.1810 0.3623 -0.0106 27 ARG O N ? ? 1 +19464 C CA . ARG M 24 0.9568 1.5233 1.6018 -0.1870 0.3649 -0.0072 27 ARG O CA ? ? 1 +19465 C CB . ARG M 24 0.9854 1.5636 1.6493 -0.1975 0.3707 -0.0104 27 ARG O CB ? ? 1 +19466 C CG . ARG M 24 0.9987 1.6001 1.6890 -0.1977 0.3606 -0.0139 27 ARG O CG ? ? 1 +19467 C CD . ARG M 24 1.0301 1.6238 1.7134 -0.1960 0.3482 -0.0110 27 ARG O CD ? ? 1 +19468 N NE . ARG M 24 1.0565 1.6696 1.7639 -0.1998 0.3421 -0.0145 27 ARG O NE ? ? 1 +19469 C CZ . ARG M 24 1.0680 1.6950 1.7882 -0.1941 0.3294 -0.0158 27 ARG O CZ ? ? 1 +19470 N NH1 . ARG M 24 1.0550 1.6801 1.7678 -0.1845 0.3214 -0.0140 27 ARG O NH1 ? ? 1 +19471 N NH2 . ARG M 24 1.0772 1.7205 1.8181 -0.1982 0.3248 -0.0190 27 ARG O NH2 ? ? 1 +19472 C C . ARG M 24 0.9480 1.4911 1.5667 -0.1878 0.3758 -0.0039 27 ARG O C ? ? 1 +19473 O O . ARG M 24 0.9777 1.5048 1.5833 -0.1941 0.3819 -0.0015 27 ARG O O ? ? 1 +19474 N N . GLY M 25 0.9069 1.4472 1.5172 -0.1813 0.3782 -0.0037 28 GLY O N ? ? 1 +19475 C CA . GLY M 25 0.8997 1.4193 1.4860 -0.1815 0.3891 -0.0010 28 GLY O CA ? ? 1 +19476 C C . GLY M 25 0.8920 1.3847 1.4483 -0.1781 0.3842 0.0046 28 GLY O C ? ? 1 +19477 O O . GLY M 25 0.8716 1.3599 1.4253 -0.1782 0.3749 0.0066 28 GLY O O ? ? 1 +19478 N N . ALA M 26 0.8887 1.3636 1.4221 -0.1749 0.3908 0.0070 29 ALA O N ? ? 1 +19479 C CA . ALA M 26 0.8807 1.3286 1.3837 -0.1718 0.3882 0.0123 29 ALA O CA ? ? 1 +19480 C CB . ALA M 26 0.9036 1.3338 1.3918 -0.1800 0.4012 0.0143 29 ALA O CB ? ? 1 +19481 C C . ALA M 26 0.8696 1.3079 1.3553 -0.1629 0.3868 0.0136 29 ALA O C ? ? 1 +19482 O O . ALA M 26 0.8751 1.3175 1.3628 -0.1625 0.3960 0.0116 29 ALA O O ? ? 1 +19483 N N . TYR M 27 0.8551 1.2807 1.3240 -0.1557 0.3753 0.0170 30 TYR O N ? ? 1 +19484 C CA . TYR M 27 0.8489 1.2647 1.3006 -0.1470 0.3723 0.0183 30 TYR O CA ? ? 1 +19485 C CB . TYR M 27 0.8094 1.2334 1.2669 -0.1390 0.3560 0.0182 30 TYR O CB ? ? 1 +19486 C CG . TYR M 27 0.7970 1.2129 1.2391 -0.1300 0.3523 0.0190 30 TYR O CG ? ? 1 +19487 C CD2 . TYR M 27 0.7965 1.1919 1.2135 -0.1247 0.3455 0.0229 30 TYR O CD2 ? ? 1 +19488 C CD1 . TYR M 27 0.7824 1.2109 1.2349 -0.1268 0.3557 0.0157 30 TYR O CD1 ? ? 1 +19489 C CE2 . TYR M 27 0.7968 1.1845 1.1995 -0.1166 0.3418 0.0234 30 TYR O CE2 ? ? 1 +19490 C CE1 . TYR M 27 0.7849 1.2053 1.2228 -0.1188 0.3523 0.0163 30 TYR O CE1 ? ? 1 +19491 C CZ . TYR M 27 0.7929 1.1929 1.2060 -0.1138 0.3452 0.0201 30 TYR O CZ ? ? 1 +19492 O OH . TYR M 27 0.7939 1.1855 1.1920 -0.1059 0.3415 0.0206 30 TYR O OH ? ? 1 +19493 C C . TYR M 27 0.8793 1.2658 1.2980 -0.1459 0.3763 0.0229 30 TYR O C ? ? 1 +19494 O O . TYR M 27 0.8781 1.2514 1.2830 -0.1440 0.3680 0.0262 30 TYR O O ? ? 1 +19495 N N . PRO M 28 0.9056 1.2811 1.3104 -0.1469 0.3889 0.0232 31 PRO O N ? ? 1 +19496 C CA . PRO M 28 0.9318 1.2787 1.3049 -0.1468 0.3943 0.0275 31 PRO O CA ? ? 1 +19497 C CB . PRO M 28 0.9515 1.2949 1.3194 -0.1495 0.4102 0.0262 31 PRO O CB ? ? 1 +19498 C CG . PRO M 28 0.9354 1.3027 1.3264 -0.1465 0.4090 0.0216 31 PRO O CG ? ? 1 +19499 C CD . PRO M 28 0.9089 1.2983 1.3272 -0.1479 0.3988 0.0193 31 PRO O CD ? ? 1 +19500 C C . PRO M 28 0.9300 1.2616 1.2810 -0.1372 0.3829 0.0306 31 PRO O C ? ? 1 +19501 O O . PRO M 28 0.9100 1.2475 1.2621 -0.1302 0.3778 0.0292 31 PRO O O ? ? 1 +19502 N N . ILE M 29 0.9493 1.2614 1.2804 -0.1370 0.3790 0.0346 32 ILE O N ? ? 1 +19503 C CA . ILE M 29 0.9685 1.2631 1.2757 -0.1286 0.3694 0.0378 32 ILE O CA ? ? 1 +19504 C CB . ILE M 29 0.9595 1.2488 1.2634 -0.1277 0.3576 0.0404 32 ILE O CB ? ? 1 +19505 C CG1 . ILE M 29 0.9297 1.2431 1.2606 -0.1261 0.3455 0.0378 32 ILE O CG1 ? ? 1 +19506 C CG2 . ILE M 29 0.9691 1.2355 1.2437 -0.1202 0.3502 0.0443 32 ILE O CG2 ? ? 1 +19507 C CD1 . ILE M 29 0.9184 1.2474 1.2610 -0.1197 0.3404 0.0347 32 ILE O CD1 ? ? 1 +19508 C C . ILE M 29 1.0165 1.2857 1.2936 -0.1280 0.3795 0.0407 32 ILE O C ? ? 1 +19509 O O . ILE M 29 1.0511 1.3065 1.3173 -0.1341 0.3886 0.0428 32 ILE O O ? ? 1 +19510 N N . ASP M 30 1.0325 1.2955 1.2963 -0.1206 0.3777 0.0406 33 ASP O N ? ? 1 +19511 C CA . ASP M 30 1.0684 1.3059 1.3010 -0.1181 0.3848 0.0435 33 ASP O CA ? ? 1 +19512 C CB . ASP M 30 1.0720 1.3137 1.3037 -0.1143 0.3903 0.0410 33 ASP O CB ? ? 1 +19513 C CG . ASP M 30 1.1113 1.3277 1.3115 -0.1120 0.3989 0.0435 33 ASP O CG ? ? 1 +19514 O OD1 . ASP M 30 1.1329 1.3270 1.3092 -0.1115 0.3980 0.0475 33 ASP O OD1 ? ? 1 +19515 O OD2 . ASP M 30 1.1242 1.3428 1.3233 -0.1106 0.4069 0.0414 33 ASP O OD2 ? ? 1 +19516 C C . ASP M 30 1.0812 1.3006 1.2908 -0.1109 0.3725 0.0471 33 ASP O C ? ? 1 +19517 O O . ASP M 30 1.0747 1.2988 1.2847 -0.1034 0.3612 0.0463 33 ASP O O ? ? 1 +19518 N N . SER M 31 1.0998 1.2985 1.2893 -0.1131 0.3746 0.0509 34 SER O N ? ? 1 +19519 C CA . SER M 31 1.0995 1.2823 1.2691 -0.1065 0.3624 0.0542 34 SER O CA ? ? 1 +19520 C CB . SER M 31 1.1163 1.2803 1.2703 -0.1107 0.3655 0.0581 34 SER O CB ? ? 1 +19521 O OG . SER M 31 1.1463 1.2931 1.2831 -0.1156 0.3808 0.0597 34 SER O OG ? ? 1 +19522 C C . SER M 31 1.1052 1.2727 1.2504 -0.0977 0.3590 0.0553 34 SER O C ? ? 1 +19523 O O . SER M 31 1.1116 1.2690 1.2428 -0.0912 0.3473 0.0574 34 SER O O ? ? 1 +19524 N N . SER M 32 1.1086 1.2754 1.2497 -0.0974 0.3688 0.0537 35 SER O N ? ? 1 +19525 C CA . SER M 32 1.1171 1.2721 1.2379 -0.0891 0.3655 0.0539 35 SER O CA ? ? 1 +19526 C CB . SER M 32 1.1338 1.2771 1.2399 -0.0911 0.3812 0.0539 35 SER O CB ? ? 1 +19527 O OG . SER M 32 1.1142 1.2782 1.2443 -0.0953 0.3896 0.0500 35 SER O OG ? ? 1 +19528 C C . SER M 32 1.0979 1.2722 1.2359 -0.0833 0.3552 0.0505 35 SER O C ? ? 1 +19529 O O . SER M 32 1.1150 1.2816 1.2384 -0.0763 0.3514 0.0502 35 SER O O ? ? 1 +19530 N N . GLN M 33 1.0681 1.2671 1.2367 -0.0864 0.3508 0.0478 36 GLN O N ? ? 1 +19531 C CA . GLN M 33 1.0330 1.2523 1.2212 -0.0822 0.3431 0.0442 36 GLN O CA ? ? 1 +19532 C CB . GLN M 33 1.0249 1.2660 1.2404 -0.0885 0.3527 0.0406 36 GLN O CB ? ? 1 +19533 C CG . GLN M 33 1.0111 1.2740 1.2481 -0.0849 0.3475 0.0365 36 GLN O CG ? ? 1 +19534 C CD . GLN M 33 1.0349 1.2915 1.2590 -0.0794 0.3512 0.0352 36 GLN O CD ? ? 1 +19535 O OE1 . GLN M 33 1.0625 1.3111 1.2771 -0.0818 0.3646 0.0350 36 GLN O OE1 ? ? 1 +19536 N NE2 . GLN M 33 1.0285 1.2885 1.2522 -0.0721 0.3396 0.0341 36 GLN O NE2 ? ? 1 +19537 C C . GLN M 33 0.9870 1.2155 1.1861 -0.0790 0.3269 0.0444 36 GLN O C ? ? 1 +19538 O O . GLN M 33 0.9715 1.1986 1.1733 -0.0825 0.3239 0.0464 36 GLN O O ? ? 1 +19539 N N . THR M 34 0.9576 1.1950 1.1621 -0.0725 0.3167 0.0425 37 THR O N ? ? 1 +19540 C CA . THR M 34 0.9252 1.1729 1.1414 -0.0692 0.3016 0.0423 37 THR O CA ? ? 1 +19541 C CB . THR M 34 0.9357 1.1732 1.1347 -0.0604 0.2906 0.0428 37 THR O CB ? ? 1 +19542 O OG1 . THR M 34 0.9463 1.1868 1.1443 -0.0571 0.2942 0.0402 37 THR O OG1 ? ? 1 +19543 C CG2 . THR M 34 0.9613 1.1725 1.1291 -0.0578 0.2907 0.0466 37 THR O CG2 ? ? 1 +19544 C C . THR M 34 0.8755 1.1505 1.1241 -0.0715 0.2996 0.0386 37 THR O C ? ? 1 +19545 O O . THR M 34 0.8768 1.1613 1.1336 -0.0701 0.3033 0.0357 37 THR O O ? ? 1 +19546 N N . TYR M 35 0.8312 1.1181 1.0974 -0.0748 0.2937 0.0387 38 TYR O N ? ? 1 +19547 C CA . TYR M 35 0.7859 1.0981 1.0828 -0.0778 0.2926 0.0354 38 TYR O CA ? ? 1 +19548 C CB . TYR M 35 0.7782 1.0967 1.0883 -0.0864 0.3000 0.0356 38 TYR O CB ? ? 1 +19549 C CG . TYR M 35 0.7902 1.1027 1.0953 -0.0921 0.3162 0.0354 38 TYR O CG ? ? 1 +19550 C CD1 . TYR M 35 0.7819 1.1102 1.1046 -0.0946 0.3245 0.0318 38 TYR O CD1 ? ? 1 +19551 C CD2 . TYR M 35 0.8100 1.1010 1.0928 -0.0949 0.3234 0.0387 38 TYR O CD2 ? ? 1 +19552 C CE1 . TYR M 35 0.7983 1.1220 1.1174 -0.1001 0.3398 0.0315 38 TYR O CE1 ? ? 1 +19553 C CE2 . TYR M 35 0.8282 1.1135 1.1064 -0.1005 0.3387 0.0385 38 TYR O CE2 ? ? 1 +19554 C CZ . TYR M 35 0.8227 1.1247 1.1194 -0.1032 0.3470 0.0348 38 TYR O CZ ? ? 1 +19555 O OH . TYR M 35 0.8462 1.1433 1.1391 -0.1089 0.3626 0.0345 38 TYR O OH ? ? 1 +19556 C C . TYR M 35 0.7551 1.0791 1.0644 -0.0734 0.2774 0.0347 38 TYR O C ? ? 1 +19557 O O . TYR M 35 0.7617 1.0756 1.0588 -0.0700 0.2680 0.0371 38 TYR O O ? ? 1 +19558 N N A ARG M 36 0.7270 1.0727 1.0608 -0.0736 0.2753 0.0314 39 ARG O N ? ? 1 +19559 N N B ARG M 36 0.7289 1.0745 1.0625 -0.0736 0.2753 0.0313 39 ARG O N ? ? 1 +19560 C CA A ARG M 36 0.6984 1.0566 1.0456 -0.0698 0.2618 0.0304 39 ARG O CA ? ? 1 +19561 C CA B ARG M 36 0.7009 1.0597 1.0487 -0.0698 0.2620 0.0302 39 ARG O CA ? ? 1 +19562 C C A ARG M 36 0.6714 1.0524 1.0479 -0.0743 0.2615 0.0280 39 ARG O C ? ? 1 +19563 C C B ARG M 36 0.6730 1.0540 1.0496 -0.0745 0.2617 0.0280 39 ARG O C ? ? 1 +19564 O O A ARG M 36 0.6717 1.0633 1.0612 -0.0780 0.2706 0.0256 39 ARG O O ? ? 1 +19565 O O B ARG M 36 0.6727 1.0645 1.0626 -0.0782 0.2708 0.0256 39 ARG O O ? ? 1 +19566 C CB A ARG M 36 0.6958 1.0549 1.0388 -0.0627 0.2568 0.0286 39 ARG O CB ? ? 1 +19567 C CB B ARG M 36 0.6982 1.0615 1.0463 -0.0635 0.2582 0.0279 39 ARG O CB ? ? 1 +19568 C CG A ARG M 36 0.6823 1.0445 1.0272 -0.0575 0.2417 0.0289 39 ARG O CG ? ? 1 +19569 C CG B ARG M 36 0.7075 1.0575 1.0367 -0.0566 0.2484 0.0294 39 ARG O CG ? ? 1 +19570 C CD A ARG M 36 0.6818 1.0422 1.0199 -0.0506 0.2364 0.0274 39 ARG O CD ? ? 1 +19571 C CD B ARG M 36 0.6908 1.0545 1.0335 -0.0518 0.2377 0.0271 39 ARG O CD ? ? 1 +19572 N NE A ARG M 36 0.6635 1.0269 1.0039 -0.0461 0.2223 0.0276 39 ARG O NE ? ? 1 +19573 N NE B ARG M 36 0.6871 1.0604 1.0386 -0.0500 0.2421 0.0239 39 ARG O NE ? ? 1 +19574 C CZ A ARG M 36 0.6684 1.0188 0.9932 -0.0436 0.2149 0.0301 39 ARG O CZ ? ? 1 +19575 C CZ B ARG M 36 0.6648 1.0576 1.0393 -0.0499 0.2389 0.0211 39 ARG O CZ ? ? 1 +19576 N NH1 A ARG M 36 0.6890 1.0206 0.9919 -0.0440 0.2196 0.0327 39 ARG O NH1 ? ? 1 +19577 N NH1 B ARG M 36 0.6571 1.0632 1.0483 -0.0535 0.2476 0.0188 39 ARG O NH1 ? ? 1 +19578 N NH2 A ARG M 36 0.6545 1.0107 0.9853 -0.0404 0.2025 0.0300 39 ARG O NH2 ? ? 1 +19579 N NH2 B ARG M 36 0.6507 1.0495 1.0308 -0.0455 0.2269 0.0205 39 ARG O NH2 ? ? 1 +19580 N N . ILE M 37 0.6504 1.0386 1.0368 -0.0741 0.2510 0.0286 40 ILE O N ? ? 1 +19581 C CA . ILE M 37 0.6207 1.0311 1.0346 -0.0767 0.2479 0.0261 40 ILE O CA ? ? 1 +19582 C CB . ILE M 37 0.6074 1.0208 1.0283 -0.0795 0.2410 0.0277 40 ILE O CB ? ? 1 +19583 C CG1 . ILE M 37 0.6213 1.0245 1.0348 -0.0862 0.2501 0.0295 40 ILE O CG1 ? ? 1 +19584 C CG2 . ILE M 37 0.5812 1.0174 1.0296 -0.0809 0.2359 0.0250 40 ILE O CG2 ? ? 1 +19585 C CD1 . ILE M 37 0.6102 1.0176 1.0327 -0.0900 0.2452 0.0306 40 ILE O CD1 ? ? 1 +19586 C C . ILE M 37 0.5992 1.0202 1.0215 -0.0706 0.2400 0.0238 40 ILE O C ? ? 1 +19587 O O . ILE M 37 0.5914 1.0091 1.0081 -0.0658 0.2292 0.0249 40 ILE O O ? ? 1 +19588 N N . ALA M 38 0.5854 1.0188 1.0208 -0.0708 0.2460 0.0207 41 ALA O N ? ? 1 +19589 C CA . ALA M 38 0.5662 1.0086 1.0086 -0.0651 0.2402 0.0184 41 ALA O CA ? ? 1 +19590 C CB . ALA M 38 0.5691 1.0186 1.0183 -0.0654 0.2503 0.0155 41 ALA O CB ? ? 1 +19591 C C . ALA M 38 0.5336 0.9936 0.9973 -0.0645 0.2303 0.0171 41 ALA O C ? ? 1 +19592 O O . ALA M 38 0.5248 0.9877 0.9896 -0.0591 0.2213 0.0165 41 ALA O O ? ? 1 +19593 N N . ARG M 39 0.5151 0.9863 0.9953 -0.0701 0.2322 0.0166 42 ARG O N ? ? 1 +19594 C CA . ARG M 39 0.4870 0.9750 0.9877 -0.0701 0.2236 0.0154 42 ARG O CA ? ? 1 +19595 C CB . ARG M 39 0.4722 0.9791 0.9939 -0.0699 0.2266 0.0116 42 ARG O CB ? ? 1 +19596 C CG . ARG M 39 0.4468 0.9706 0.9890 -0.0695 0.2177 0.0103 42 ARG O CG ? ? 1 +19597 C CD . ARG M 39 0.4332 0.9756 0.9961 -0.0691 0.2204 0.0066 42 ARG O CD ? ? 1 +19598 N NE . ARG M 39 0.4111 0.9686 0.9925 -0.0690 0.2118 0.0056 42 ARG O NE ? ? 1 +19599 C CZ . ARG M 39 0.3966 0.9720 0.9985 -0.0689 0.2119 0.0025 42 ARG O CZ ? ? 1 +19600 N NH1 . ARG M 39 0.4041 0.9860 1.0123 -0.0688 0.2203 -0.0001 42 ARG O NH1 ? ? 1 +19601 N NH2 . ARG M 39 0.3781 0.9651 0.9944 -0.0686 0.2035 0.0020 42 ARG O NH2 ? ? 1 +19602 C C . ARG M 39 0.4813 0.9716 0.9888 -0.0762 0.2240 0.0166 42 ARG O C ? ? 1 +19603 O O . ARG M 39 0.4869 0.9803 1.0003 -0.0819 0.2334 0.0158 42 ARG O O ? ? 1 +19604 N N . LEU M 40 0.4716 0.9601 0.9779 -0.0749 0.2138 0.0185 43 LEU O N ? ? 1 +19605 C CA . LEU M 40 0.4636 0.9560 0.9782 -0.0800 0.2124 0.0193 43 LEU O CA ? ? 1 +19606 C CB . LEU M 40 0.4742 0.9487 0.9695 -0.0803 0.2097 0.0230 43 LEU O CB ? ? 1 +19607 C CG . LEU M 40 0.4667 0.9441 0.9694 -0.0846 0.2066 0.0241 43 LEU O CG ? ? 1 +19608 C CD1 . LEU M 40 0.4703 0.9531 0.9828 -0.0922 0.2168 0.0229 43 LEU O CD1 ? ? 1 +19609 C CD2 . LEU M 40 0.4772 0.9365 0.9598 -0.0834 0.2026 0.0276 43 LEU O CD2 ? ? 1 +19610 C C . LEU M 40 0.4413 0.9503 0.9751 -0.0785 0.2026 0.0179 43 LEU O C ? ? 1 +19611 O O . LEU M 40 0.4350 0.9436 0.9662 -0.0733 0.1933 0.0184 43 LEU O O ? ? 1 +19612 N N . CYS M 41 0.4308 0.9540 0.9835 -0.0834 0.2051 0.0161 44 CYS O N ? ? 1 +19613 C CA . CYS M 41 0.4102 0.9507 0.9828 -0.0825 0.1974 0.0143 44 CYS O CA ? ? 1 +19614 C CB . CYS M 41 0.4034 0.9603 0.9937 -0.0826 0.2020 0.0106 44 CYS O CB ? ? 1 +19615 S SG . CYS M 41 0.3785 0.9559 0.9918 -0.0799 0.1921 0.0082 44 CYS O SG ? ? 1 +19616 C C . CYS M 41 0.4060 0.9495 0.9859 -0.0878 0.1957 0.0150 44 CYS O C ? ? 1 +19617 O O . CYS M 41 0.4109 0.9538 0.9929 -0.0937 0.2040 0.0147 44 CYS O O ? ? 1 +19618 N N . LEU M 42 0.3952 0.9414 0.9784 -0.0856 0.1853 0.0160 45 LEU O N ? ? 1 +19619 C CA . LEU M 42 0.3919 0.9416 0.9825 -0.0900 0.1826 0.0166 45 LEU O CA ? ? 1 +19620 C CB . LEU M 42 0.4019 0.9364 0.9761 -0.0889 0.1772 0.0201 45 LEU O CB ? ? 1 +19621 C CG . LEU M 42 0.4258 0.9413 0.9791 -0.0904 0.1839 0.0225 45 LEU O CG ? ? 1 +19622 C CD1 . LEU M 42 0.4383 0.9438 0.9764 -0.0852 0.1846 0.0232 45 LEU O CD1 ? ? 1 +19623 C CD2 . LEU M 42 0.4301 0.9336 0.9717 -0.0907 0.1788 0.0255 45 LEU O CD2 ? ? 1 +19624 C C . LEU M 42 0.3732 0.9406 0.9836 -0.0886 0.1749 0.0146 45 LEU O C ? ? 1 +19625 O O . LEU M 42 0.3694 0.9385 0.9794 -0.0833 0.1665 0.0149 45 LEU O O ? ? 1 +19626 N N . GLN M 43 0.3666 0.9468 0.9938 -0.0935 0.1778 0.0124 46 GLN O N ? ? 1 +19627 C CA . GLN M 43 0.3482 0.9454 0.9946 -0.0927 0.1712 0.0103 46 GLN O CA ? ? 1 +19628 C CB . GLN M 43 0.3441 0.9567 1.0075 -0.0942 0.1770 0.0066 46 GLN O CB ? ? 1 +19629 C CG . GLN M 43 0.3266 0.9575 1.0107 -0.0938 0.1708 0.0041 46 GLN O CG ? ? 1 +19630 C CD . GLN M 43 0.3258 0.9713 1.0265 -0.0965 0.1778 0.0004 46 GLN O CD ? ? 1 +19631 O OE1 . GLN M 43 0.3314 0.9761 1.0298 -0.0958 0.1849 -0.0007 46 GLN O OE1 ? ? 1 +19632 N NE2 . GLN M 43 0.3170 0.9757 1.0344 -0.1000 0.1761 -0.0018 46 GLN O NE2 ? ? 1 +19633 C C . GLN M 43 0.3440 0.9425 0.9952 -0.0971 0.1681 0.0110 46 GLN O C ? ? 1 +19634 O O . GLN M 43 0.3449 0.9459 1.0018 -0.1032 0.1744 0.0099 46 GLN O O ? ? 1 +19635 N N . PRO M 44 0.3375 0.9344 0.9867 -0.0943 0.1584 0.0126 47 PRO O N ? ? 1 +19636 C CA . PRO M 44 0.3362 0.9347 0.9902 -0.0981 0.1550 0.0131 47 PRO O CA ? ? 1 +19637 C CB . PRO M 44 0.3281 0.9212 0.9748 -0.0932 0.1449 0.0155 47 PRO O CB ? ? 1 +19638 C CG . PRO M 44 0.3224 0.9191 0.9694 -0.0872 0.1415 0.0149 47 PRO O CG ? ? 1 +19639 C CD . PRO M 44 0.3321 0.9262 0.9751 -0.0875 0.1503 0.0139 47 PRO O CD ? ? 1 +19640 C C . PRO M 44 0.3309 0.9482 1.0069 -0.1007 0.1544 0.0098 47 PRO O C ? ? 1 +19641 O O . PRO M 44 0.3302 0.9591 1.0170 -0.0972 0.1520 0.0078 47 PRO O O ? ? 1 +19642 N N . THR M 45 0.3333 0.9532 1.0157 -0.1067 0.1567 0.0090 48 THR O N ? ? 1 +19643 C CA . THR M 45 0.3215 0.9589 1.0244 -0.1092 0.1551 0.0058 48 THR O CA ? ? 1 +19644 C CB . THR M 45 0.3245 0.9678 1.0365 -0.1158 0.1646 0.0032 48 THR O CB ? ? 1 +19645 O OG1 . THR M 45 0.3327 0.9643 1.0353 -0.1213 0.1684 0.0049 48 THR O OG1 ? ? 1 +19646 C CG2 . THR M 45 0.3323 0.9751 1.0420 -0.1151 0.1728 0.0022 48 THR O CG2 ? ? 1 +19647 C C . THR M 45 0.3183 0.9565 1.0240 -0.1103 0.1476 0.0066 48 THR O C ? ? 1 +19648 O O . THR M 45 0.3097 0.9617 1.0303 -0.1097 0.1425 0.0046 48 THR O O ? ? 1 +19649 N N . THR M 46 0.3318 0.9553 1.0229 -0.1116 0.1471 0.0096 49 THR O N ? ? 1 +19650 C CA . THR M 46 0.3323 0.9556 1.0250 -0.1126 0.1403 0.0104 49 THR O CA ? ? 1 +19651 C CB . THR M 46 0.3423 0.9672 1.0411 -0.1202 0.1453 0.0089 49 THR O CB ? ? 1 +19652 O OG1 . THR M 46 0.3676 0.9754 1.0500 -0.1225 0.1476 0.0118 49 THR O OG1 ? ? 1 +19653 C CG2 . THR M 46 0.3467 0.9799 1.0558 -0.1249 0.1545 0.0059 49 THR O CG2 ? ? 1 +19654 C C . THR M 46 0.3370 0.9444 1.0116 -0.1091 0.1358 0.0142 49 THR O C ? ? 1 +19655 O O . THR M 46 0.3522 0.9456 1.0113 -0.1090 0.1403 0.0163 49 THR O O ? ? 1 +19656 N N . PHE M 47 0.3263 0.9363 1.0030 -0.1061 0.1268 0.0150 50 PHE O N ? ? 1 +19657 C CA . PHE M 47 0.3307 0.9276 0.9924 -0.1028 0.1217 0.0183 50 PHE O CA ? ? 1 +19658 C CB . PHE M 47 0.3146 0.9150 0.9766 -0.0960 0.1138 0.0189 50 PHE O CB ? ? 1 +19659 C CG . PHE M 47 0.3138 0.9132 0.9717 -0.0924 0.1162 0.0188 50 PHE O CG ? ? 1 +19660 C CD1 . PHE M 47 0.3236 0.9087 0.9642 -0.0897 0.1172 0.0212 50 PHE O CD1 ? ? 1 +19661 C CD2 . PHE M 47 0.3057 0.9182 0.9767 -0.0916 0.1175 0.0161 50 PHE O CD2 ? ? 1 +19662 C CE1 . PHE M 47 0.3267 0.9105 0.9631 -0.0864 0.1195 0.0209 50 PHE O CE1 ? ? 1 +19663 C CE2 . PHE M 47 0.3077 0.9189 0.9745 -0.0881 0.1198 0.0159 50 PHE O CE2 ? ? 1 +19664 C CZ . PHE M 47 0.3190 0.9156 0.9684 -0.0857 0.1210 0.0183 50 PHE O CZ ? ? 1 +19665 C C . PHE M 47 0.3376 0.9332 1.0010 -0.1059 0.1185 0.0187 50 PHE O C ? ? 1 +19666 O O . PHE M 47 0.3283 0.9358 1.0050 -0.1063 0.1139 0.0170 50 PHE O O ? ? 1 +19667 N N . LEU M 48 0.3603 0.9412 1.0097 -0.1079 0.1210 0.0209 51 LEU O N ? ? 1 +19668 C CA . LEU M 48 0.3700 0.9477 1.0190 -0.1107 0.1184 0.0215 51 LEU O CA ? ? 1 +19669 C CB . LEU M 48 0.3874 0.9578 1.0326 -0.1175 0.1267 0.0212 51 LEU O CB ? ? 1 +19670 C CG . LEU M 48 0.3908 0.9725 1.0499 -0.1228 0.1338 0.0179 51 LEU O CG ? ? 1 +19671 C CD1 . LEU M 48 0.4053 0.9768 1.0573 -0.1292 0.1430 0.0181 51 LEU O CD1 ? ? 1 +19672 C CD2 . LEU M 48 0.3792 0.9773 1.0571 -0.1249 0.1297 0.0149 51 LEU O CD2 ? ? 1 +19673 C C . LEU M 48 0.3872 0.9527 1.0216 -0.1060 0.1125 0.0247 51 LEU O C ? ? 1 +19674 O O . LEU M 48 0.3908 0.9443 1.0107 -0.1035 0.1143 0.0268 51 LEU O O ? ? 1 +19675 N N . VAL M 49 0.3983 0.9673 1.0370 -0.1048 0.1054 0.0249 52 VAL O N ? ? 1 +19676 C CA . VAL M 49 0.4177 0.9766 1.0443 -0.1006 0.0995 0.0276 52 VAL O CA ? ? 1 +19677 C CB . VAL M 49 0.3917 0.9601 1.0256 -0.0954 0.0909 0.0274 52 VAL O CB ? ? 1 +19678 C CG1 . VAL M 49 0.3949 0.9544 1.0184 -0.0915 0.0847 0.0299 52 VAL O CG1 ? ? 1 +19679 C CG2 . VAL M 49 0.3821 0.9558 1.0182 -0.0917 0.0906 0.0269 52 VAL O CG2 ? ? 1 +19680 C C . VAL M 49 0.4615 1.0130 1.0839 -0.1041 0.0998 0.0283 52 VAL O C ? ? 1 +19681 O O . VAL M 49 0.4428 1.0025 1.0766 -0.1080 0.0996 0.0264 52 VAL O O ? ? 1 +19682 N N . LYS M 50 0.5375 1.0732 1.1432 -0.1026 0.1002 0.0310 53 LYS O N ? ? 1 +19683 C CA . LYS M 50 0.5965 1.1230 1.1959 -0.1050 0.0999 0.0321 53 LYS O CA ? ? 1 +19684 C CB . LYS M 50 0.6235 1.1311 1.2027 -0.1034 0.1027 0.0350 53 LYS O CB ? ? 1 +19685 C CG . LYS M 50 0.6517 1.1481 1.2227 -0.1056 0.1027 0.0362 53 LYS O CG ? ? 1 +19686 C CD . LYS M 50 0.6850 1.1621 1.2353 -0.1033 0.1048 0.0393 53 LYS O CD ? ? 1 +19687 C CE . LYS M 50 0.7221 1.1904 1.2650 -0.1078 0.1145 0.0395 53 LYS O CE ? ? 1 +19688 N NZ . LYS M 50 0.7518 1.2002 1.2735 -0.1055 0.1165 0.0425 53 LYS O NZ ? ? 1 +19689 C C . LYS M 50 0.6307 1.1623 1.2347 -0.1016 0.0912 0.0323 53 LYS O C ? ? 1 +19690 O O . LYS M 50 0.6184 1.1507 1.2195 -0.0959 0.0855 0.0334 53 LYS O O ? ? 1 +19691 N N . GLU M 51 0.7368 1.2721 1.3480 -0.1055 0.0906 0.0310 54 GLU O N ? ? 1 +19692 C CA . GLU M 51 0.8487 1.3869 1.4629 -0.1031 0.0833 0.0312 54 GLU O CA ? ? 1 +19693 C CB . GLU M 51 0.9194 1.4674 1.5471 -0.1082 0.0832 0.0285 54 GLU O CB ? ? 1 +19694 C CG . GLU M 51 1.0162 1.5566 1.6408 -0.1149 0.0898 0.0279 54 GLU O CG ? ? 1 +19695 C CD . GLU M 51 1.0778 1.6272 1.7151 -0.1199 0.0892 0.0251 54 GLU O CD ? ? 1 +19696 O OE1 . GLU M 51 1.0486 1.6132 1.7005 -0.1195 0.0860 0.0229 54 GLU O OE1 ? ? 1 +19697 O OE2 . GLU M 51 1.1245 1.6654 1.7570 -0.1242 0.0921 0.0250 54 GLU O OE2 ? ? 1 +19698 C C . GLU M 51 0.8982 1.4205 1.4964 -0.1011 0.0821 0.0339 54 GLU O C ? ? 1 +19699 O O . GLU M 51 0.9287 1.4388 1.5168 -0.1043 0.0877 0.0348 54 GLU O O ? ? 1 +19700 N N . GLU M 52 0.9592 1.4813 1.5549 -0.0959 0.0749 0.0351 55 GLU O N ? ? 1 +19701 C CA . GLU M 52 1.0533 1.5615 1.6349 -0.0933 0.0730 0.0374 55 GLU O CA ? ? 1 +19702 C CB . GLU M 52 1.0735 1.5801 1.6491 -0.0859 0.0666 0.0392 55 GLU O CB ? ? 1 +19703 C CG . GLU M 52 1.0611 1.5753 1.6408 -0.0831 0.0656 0.0388 55 GLU O CG ? ? 1 +19704 C CD . GLU M 52 1.0852 1.6157 1.6808 -0.0823 0.0610 0.0370 55 GLU O CD ? ? 1 +19705 O OE1 . GLU M 52 1.0194 1.5529 1.6163 -0.0783 0.0546 0.0375 55 GLU O OE1 ? ? 1 +19706 O OE2 . GLU M 52 1.1427 1.6830 1.7493 -0.0858 0.0640 0.0350 55 GLU O OE2 ? ? 1 +19707 C C . GLU M 52 1.0740 1.5835 1.6600 -0.0955 0.0706 0.0366 55 GLU O C ? ? 1 +19708 O O . GLU M 52 1.0006 1.5208 1.5966 -0.0938 0.0651 0.0356 55 GLU O O ? ? 1 +19709 N N . PRO M 53 1.1563 1.6547 1.7349 -0.0995 0.0748 0.0370 56 PRO O N ? ? 1 +19710 C CA . PRO M 53 1.1762 1.6747 1.7578 -0.1015 0.0724 0.0361 56 PRO O CA ? ? 1 +19711 C CB . PRO M 53 1.1931 1.6790 1.7665 -0.1071 0.0793 0.0363 56 PRO O CB ? ? 1 +19712 C CG . PRO M 53 1.1948 1.6782 1.7653 -0.1094 0.0860 0.0365 56 PRO O CG ? ? 1 +19713 C CD . PRO M 53 1.1783 1.6637 1.7455 -0.1028 0.0823 0.0380 56 PRO O CD ? ? 1 +19714 C C . PRO M 53 1.1790 1.6729 1.7540 -0.0954 0.0657 0.0379 56 PRO O C ? ? 1 +19715 O O . PRO M 53 1.1907 1.6773 1.7552 -0.0904 0.0640 0.0401 56 PRO O O ? ? 1 +19716 N N . LYS M 54 1.1755 1.6742 1.7568 -0.0959 0.0619 0.0368 57 LYS O N ? ? 1 +19717 C CA . LYS M 54 1.1447 1.6405 1.7214 -0.0906 0.0557 0.0381 57 LYS O CA ? ? 1 +19718 C CB . LYS M 54 1.0469 1.5535 1.6355 -0.0915 0.0515 0.0362 57 LYS O CB ? ? 1 +19719 C CG . LYS M 54 0.9808 1.5032 1.5821 -0.0890 0.0471 0.0351 57 LYS O CG ? ? 1 +19720 C CD . LYS M 54 0.9419 1.4763 1.5567 -0.0917 0.0447 0.0327 57 LYS O CD ? ? 1 +19721 C CE . LYS M 54 0.9099 1.4432 1.5235 -0.0891 0.0397 0.0329 57 LYS O CE ? ? 1 +19722 N NZ . LYS M 54 0.8547 1.3989 1.4805 -0.0918 0.0376 0.0304 57 LYS O NZ ? ? 1 +19723 C C . LYS M 54 1.2216 1.6999 1.7822 -0.0895 0.0571 0.0401 57 LYS O C ? ? 1 +19724 O O . LYS M 54 1.2117 1.6839 1.7635 -0.0837 0.0534 0.0420 57 LYS O O ? ? 1 +19725 N N . ASN M 55 1.2866 1.7569 1.8437 -0.0952 0.0624 0.0395 58 ASN O N ? ? 1 +19726 C CA . ASN M 55 1.3577 1.8105 1.8993 -0.0946 0.0641 0.0413 58 ASN O CA ? ? 1 +19727 C CB . ASN M 55 1.3464 1.7954 1.8895 -0.1010 0.0675 0.0397 58 ASN O CB ? ? 1 +19728 C CG . ASN M 55 1.3443 1.7982 1.8953 -0.1084 0.0737 0.0377 58 ASN O CG ? ? 1 +19729 O OD1 . ASN M 55 1.3502 1.8110 1.9061 -0.1088 0.0759 0.0375 58 ASN O OD1 ? ? 1 +19730 N ND2 . ASN M 55 1.3827 1.8331 1.9351 -0.1144 0.0769 0.0362 58 ASN O ND2 ? ? 1 +19731 C C . ASN M 55 1.4260 1.8653 1.9533 -0.0939 0.0689 0.0435 58 ASN O C ? ? 1 +19732 O O . ASN M 55 1.4855 1.9095 1.9979 -0.0915 0.0694 0.0455 58 ASN O O ? ? 1 +19733 N N . LYS M 56 1.4147 1.8596 1.9464 -0.0961 0.0726 0.0429 59 LYS O N ? ? 1 +19734 C CA . LYS M 56 1.4278 1.8614 1.9472 -0.0959 0.0777 0.0447 59 LYS O CA ? ? 1 +19735 C CB . LYS M 56 1.4301 1.8532 1.9350 -0.0881 0.0737 0.0475 59 LYS O CB ? ? 1 +19736 C CG . LYS M 56 1.4240 1.8590 1.9357 -0.0820 0.0668 0.0475 59 LYS O CG ? ? 1 +19737 C CD . LYS M 56 1.4228 1.8632 1.9393 -0.0782 0.0595 0.0472 59 LYS O CD ? ? 1 +19738 C CE . LYS M 56 1.3936 1.8452 1.9167 -0.0725 0.0530 0.0471 59 LYS O CE ? ? 1 +19739 N NZ . LYS M 56 1.3928 1.8612 1.9324 -0.0751 0.0527 0.0450 59 LYS O NZ ? ? 1 +19740 C C . LYS M 56 1.4282 1.8492 1.9398 -0.1023 0.0856 0.0448 59 LYS O C ? ? 1 +19741 O O . LYS M 56 1.4057 1.8211 1.9117 -0.1046 0.0916 0.0454 59 LYS O O ? ? 1 +19742 N N . ARG M 57 1.4213 1.8382 1.9331 -0.1056 0.0859 0.0440 60 ARG O N ? ? 1 +19743 C CA . ARG M 57 1.4416 1.8460 1.9460 -0.1120 0.0932 0.0440 60 ARG O CA ? ? 1 +19744 C CB . ARG M 57 1.4665 1.8600 1.9633 -0.1118 0.0914 0.0445 60 ARG O CB ? ? 1 +19745 C CG . ARG M 57 1.4693 1.8754 1.9808 -0.1142 0.0874 0.0417 60 ARG O CG ? ? 1 +19746 C CD . ARG M 57 1.4729 1.8669 1.9768 -0.1164 0.0880 0.0417 60 ARG O CD ? ? 1 +19747 N NE . ARG M 57 1.4757 1.8813 1.9931 -0.1188 0.0844 0.0390 60 ARG O NE ? ? 1 +19748 C CZ . ARG M 57 1.4118 1.8259 1.9349 -0.1136 0.0770 0.0387 60 ARG O CZ ? ? 1 +19749 N NH1 . ARG M 57 1.3751 1.7903 1.8942 -0.1059 0.0721 0.0407 60 ARG O NH1 ? ? 1 +19750 N NH2 . ARG M 57 1.3279 1.7494 1.8606 -0.1163 0.0744 0.0363 60 ARG O NH2 ? ? 1 +19751 C C . ARG M 57 1.4523 1.8678 1.9713 -0.1202 0.0983 0.0409 60 ARG O C ? ? 1 +19752 O O . ARG M 57 1.3923 1.7992 1.9067 -0.1264 0.1057 0.0407 60 ARG O O ? ? 1 +19753 N N . GLN M 58 1.4678 1.9023 2.0044 -0.1203 0.0943 0.0385 61 GLN O N ? ? 1 +19754 C CA . GLN M 58 1.4134 1.8609 1.9649 -0.1267 0.0984 0.0356 61 GLN O CA ? ? 1 +19755 C CB . GLN M 58 1.3373 1.8048 1.9073 -0.1257 0.0924 0.0331 61 GLN O CB ? ? 1 +19756 C CG . GLN M 58 1.3039 1.7758 1.8816 -0.1287 0.0893 0.0309 61 GLN O CG ? ? 1 +19757 C CD . GLN M 58 1.2490 1.7404 1.8441 -0.1274 0.0837 0.0286 61 GLN O CD ? ? 1 +19758 O OE1 . GLN M 58 1.2209 1.7219 1.8217 -0.1239 0.0817 0.0288 61 GLN O OE1 ? ? 1 +19759 N NE2 . GLN M 58 1.1877 1.6850 1.7911 -0.1300 0.0809 0.0263 61 GLN O NE2 ? ? 1 +19760 C C . GLN M 58 1.4341 1.8817 1.9832 -0.1263 0.1031 0.0365 61 GLN O C ? ? 1 +19761 O O . GLN M 58 1.4909 1.9366 2.0335 -0.1199 0.1000 0.0385 61 GLN O O ? ? 1 +19762 N N . GLU M 59 1.3981 1.8483 1.9528 -0.1332 0.1105 0.0347 62 GLU O N ? ? 1 +19763 C CA . GLU M 59 1.3920 1.8438 1.9463 -0.1336 0.1156 0.0349 62 GLU O CA ? ? 1 +19764 C CB . GLU M 59 1.4152 1.8671 1.9744 -0.1426 0.1248 0.0328 62 GLU O CB ? ? 1 +19765 C CG . GLU M 59 1.4048 1.8609 1.9664 -0.1440 0.1308 0.0325 62 GLU O CG ? ? 1 +19766 C CD . GLU M 59 1.4142 1.8524 1.9562 -0.1419 0.1358 0.0357 62 GLU O CD ? ? 1 +19767 O OE1 . GLU M 59 1.3958 1.8191 1.9266 -0.1463 0.1420 0.0367 62 GLU O OE1 ? ? 1 +19768 O OE2 . GLU M 59 1.3994 1.8382 1.9369 -0.1358 0.1333 0.0372 62 GLU O OE2 ? ? 1 +19769 C C . GLU M 59 1.3378 1.8077 1.9060 -0.1299 0.1109 0.0336 62 GLU O C ? ? 1 +19770 O O . GLU M 59 1.3864 1.8714 1.9706 -0.1316 0.1078 0.0310 62 GLU O O ? ? 1 +19771 N N . ALA M 60 1.2349 1.7026 1.7962 -0.1246 0.1102 0.0355 63 ALA O N ? ? 1 +19772 C CA . ALA M 60 1.1305 1.6136 1.7035 -0.1212 0.1066 0.0344 63 ALA O CA ? ? 1 +19773 C CB . ALA M 60 1.1225 1.5997 1.6844 -0.1138 0.1031 0.0370 63 ALA O CB ? ? 1 +19774 C C . ALA M 60 1.0688 1.5601 1.6513 -0.1263 0.1136 0.0322 63 ALA O C ? ? 1 +19775 O O . ALA M 60 1.0977 1.5792 1.6720 -0.1301 0.1214 0.0327 63 ALA O O ? ? 1 +19776 N N . GLU M 61 0.9474 1.4568 1.5472 -0.1264 0.1110 0.0296 64 GLU O N ? ? 1 +19777 C CA . GLU M 61 0.8649 1.3842 1.4754 -0.1305 0.1169 0.0272 64 GLU O CA ? ? 1 +19778 C CB . GLU M 61 0.9377 1.4689 1.5645 -0.1370 0.1182 0.0237 64 GLU O CB ? ? 1 +19779 C CG . GLU M 61 1.0108 1.5308 1.6315 -0.1437 0.1239 0.0235 64 GLU O CG ? ? 1 +19780 C CD . GLU M 61 1.0918 1.6213 1.7263 -0.1518 0.1298 0.0199 64 GLU O CD ? ? 1 +19781 O OE1 . GLU M 61 1.1462 1.6933 1.7977 -0.1522 0.1281 0.0170 64 GLU O OE1 ? ? 1 +19782 O OE2 . GLU M 61 1.1411 1.6599 1.7691 -0.1577 0.1364 0.0199 64 GLU O OE2 ? ? 1 +19783 C C . GLU M 61 0.7312 1.2620 1.3488 -0.1254 0.1136 0.0268 64 GLU O C ? ? 1 +19784 O O . GLU M 61 0.6764 1.2107 1.2944 -0.1196 0.1061 0.0277 64 GLU O O ? ? 1 +19785 N N . PHE M 62 0.6732 1.2093 1.2960 -0.1278 0.1197 0.0254 65 PHE O N ? ? 1 +19786 C CA . PHE M 62 0.6197 1.1668 1.2499 -0.1238 0.1179 0.0245 65 PHE O CA ? ? 1 +19787 C CB . PHE M 62 0.6250 1.1671 1.2493 -0.1251 0.1260 0.0248 65 PHE O CB ? ? 1 +19788 C CG . PHE M 62 0.6332 1.1571 1.2367 -0.1216 0.1273 0.0283 65 PHE O CG ? ? 1 +19789 C CD1 . PHE M 62 0.6459 1.1539 1.2357 -0.1245 0.1311 0.0302 65 PHE O CD1 ? ? 1 +19790 C CD2 . PHE M 62 0.6177 1.1404 1.2151 -0.1153 0.1242 0.0297 65 PHE O CD2 ? ? 1 +19791 C CE1 . PHE M 62 0.6546 1.1457 1.2249 -0.1208 0.1318 0.0334 65 PHE O CE1 ? ? 1 +19792 C CE2 . PHE M 62 0.6290 1.1354 1.2075 -0.1119 0.1248 0.0327 65 PHE O CE2 ? ? 1 +19793 C CZ . PHE M 62 0.6527 1.1434 1.2176 -0.1145 0.1285 0.0346 65 PHE O CZ ? ? 1 +19794 C C . PHE M 62 0.5685 1.1348 1.2193 -0.1257 0.1155 0.0211 65 PHE O C ? ? 1 +19795 O O . PHE M 62 0.6012 1.1731 1.2612 -0.1318 0.1203 0.0186 65 PHE O O ? ? 1 +19796 N N . VAL M 63 0.5289 1.1049 1.1865 -0.1204 0.1079 0.0208 66 VAL O N ? ? 1 +19797 C CA . VAL M 63 0.5030 1.0967 1.1790 -0.1209 0.1047 0.0178 66 VAL O CA ? ? 1 +19798 C CB . VAL M 63 0.5087 1.1072 1.1883 -0.1170 0.0954 0.0182 66 VAL O CB ? ? 1 +19799 C CG1 . VAL M 63 0.5252 1.1156 1.1994 -0.1196 0.0939 0.0189 66 VAL O CG1 ? ? 1 +19800 C CG2 . VAL M 63 0.5055 1.1003 1.1770 -0.1098 0.0902 0.0206 66 VAL O CG2 ? ? 1 +19801 C C . VAL M 63 0.4852 1.0884 1.1681 -0.1183 0.1061 0.0166 66 VAL O C ? ? 1 +19802 O O . VAL M 63 0.4755 1.0722 1.1488 -0.1141 0.1063 0.0185 66 VAL O O ? ? 1 +19803 N N . PRO M 64 0.4662 1.0850 1.1660 -0.1205 0.1068 0.0132 67 PRO O N ? ? 1 +19804 C CA . PRO M 64 0.4439 1.0726 1.1513 -0.1177 0.1079 0.0119 67 PRO O CA ? ? 1 +19805 C CB . PRO M 64 0.4525 1.0957 1.1773 -0.1225 0.1108 0.0079 67 PRO O CB ? ? 1 +19806 C CG . PRO M 64 0.4579 1.1032 1.1873 -0.1251 0.1062 0.0072 67 PRO O CG ? ? 1 +19807 C CD . PRO M 64 0.4700 1.0979 1.1825 -0.1255 0.1064 0.0104 67 PRO O CD ? ? 1 +19808 C C . PRO M 64 0.3966 1.0302 1.1057 -0.1109 0.0994 0.0127 67 PRO O C ? ? 1 +19809 O O . PRO M 64 0.4040 1.0386 1.1141 -0.1095 0.0929 0.0133 67 PRO O O ? ? 1 +19810 N N . THR M 65 0.3667 1.0030 1.0757 -0.1068 0.0998 0.0128 68 THR O N ? ? 1 +19811 C CA . THR M 65 0.3344 0.9744 1.0441 -0.1005 0.0925 0.0137 68 THR O CA ? ? 1 +19812 C CB . THR M 65 0.3227 0.9493 1.0160 -0.0963 0.0910 0.0169 68 THR O CB ? ? 1 +19813 O OG1 . THR M 65 0.3274 0.9481 1.0137 -0.0966 0.0977 0.0172 68 THR O OG1 ? ? 1 +19814 C CG2 . THR M 65 0.3250 0.9394 1.0068 -0.0974 0.0896 0.0192 68 THR O CG2 ? ? 1 +19815 C C . THR M 65 0.3202 0.9728 1.0414 -0.0986 0.0935 0.0113 68 THR O C ? ? 1 +19816 O O . THR M 65 0.3239 0.9797 1.0494 -0.1015 0.1003 0.0096 68 THR O O ? ? 1 +19817 N N . LYS M 66 0.3029 0.9620 1.0288 -0.0936 0.0867 0.0113 69 LYS O N ? ? 1 +19818 C CA . LYS M 66 0.2909 0.9614 1.0272 -0.0908 0.0865 0.0092 69 LYS O CA ? ? 1 +19819 C CB . LYS M 66 0.3066 0.9891 1.0553 -0.0892 0.0797 0.0077 69 LYS O CB ? ? 1 +19820 C CG . LYS M 66 0.3362 1.0334 1.1007 -0.0902 0.0818 0.0042 69 LYS O CG ? ? 1 +19821 C CD . LYS M 66 0.3623 1.0694 1.1389 -0.0931 0.0787 0.0020 69 LYS O CD ? ? 1 +19822 C CE . LYS M 66 0.3833 1.0948 1.1631 -0.0891 0.0701 0.0024 69 LYS O CE ? ? 1 +19823 N NZ . LYS M 66 0.4082 1.1317 1.2018 -0.0914 0.0676 -0.0005 69 LYS O NZ ? ? 1 +19824 C C . LYS M 66 0.2634 0.9278 0.9904 -0.0855 0.0853 0.0110 69 LYS O C ? ? 1 +19825 O O . LYS M 66 0.2604 0.9180 0.9791 -0.0823 0.0801 0.0133 69 LYS O O ? ? 1 +19826 N N . LEU M 67 0.2463 0.9134 0.9752 -0.0847 0.0903 0.0097 70 LEU O N ? ? 1 +19827 C CA . LEU M 67 0.2338 0.8953 0.9542 -0.0799 0.0898 0.0110 70 LEU O CA ? ? 1 +19828 C CB . LEU M 67 0.2428 0.9041 0.9627 -0.0812 0.0981 0.0096 70 LEU O CB ? ? 1 +19829 C CG . LEU M 67 0.2470 0.9033 0.9589 -0.0763 0.0985 0.0103 70 LEU O CG ? ? 1 +19830 C CD1 . LEU M 67 0.2541 0.8947 0.9481 -0.0747 0.0970 0.0135 70 LEU O CD1 ? ? 1 +19831 C CD2 . LEU M 67 0.2523 0.9115 0.9670 -0.0776 0.1067 0.0084 70 LEU O CD2 ? ? 1 +19832 C C . LEU M 67 0.2095 0.8795 0.9373 -0.0750 0.0833 0.0103 70 LEU O C ? ? 1 +19833 O O . LEU M 67 0.2023 0.8845 0.9433 -0.0747 0.0834 0.0078 70 LEU O O ? ? 1 +19834 N N . VAL M 68 0.1936 0.8570 0.9129 -0.0709 0.0778 0.0124 71 VAL O N ? ? 1 +19835 C CA . VAL M 68 0.1747 0.8447 0.8998 -0.0663 0.0716 0.0120 71 VAL O CA ? ? 1 +19836 C CB . VAL M 68 0.1697 0.8377 0.8927 -0.0651 0.0642 0.0138 71 VAL O CB ? ? 1 +19837 C CG1 . VAL M 68 0.1668 0.8401 0.8974 -0.0690 0.0634 0.0130 71 VAL O CG1 ? ? 1 +19838 C CG2 . VAL M 68 0.1755 0.8303 0.8837 -0.0641 0.0628 0.0165 71 VAL O CG2 ? ? 1 +19839 C C . VAL M 68 0.1686 0.8349 0.8877 -0.0619 0.0718 0.0123 71 VAL O C ? ? 1 +19840 O O . VAL M 68 0.1598 0.8312 0.8836 -0.0582 0.0675 0.0118 71 VAL O O ? ? 1 +19841 N N . THR M 69 0.1736 0.8308 0.8823 -0.0624 0.0770 0.0130 72 THR O N ? ? 1 +19842 C CA . THR M 69 0.1755 0.8283 0.8775 -0.0584 0.0773 0.0132 72 THR O CA ? ? 1 +19843 C CB . THR M 69 0.1857 0.8240 0.8711 -0.0577 0.0771 0.0157 72 THR O CB ? ? 1 +19844 O OG1 . THR M 69 0.1977 0.8298 0.8774 -0.0619 0.0828 0.0163 72 THR O OG1 ? ? 1 +19845 C CG2 . THR M 69 0.1796 0.8145 0.8613 -0.0562 0.0696 0.0177 72 THR O CG2 ? ? 1 +19846 C C . THR M 69 0.1778 0.8349 0.8840 -0.0582 0.0839 0.0110 72 THR O C ? ? 1 +19847 O O . THR M 69 0.1832 0.8341 0.8812 -0.0556 0.0858 0.0113 72 THR O O ? ? 1 +19848 N N A ARG M 70 0.1742 0.8421 0.8932 -0.0609 0.0872 0.0088 73 ARG O N ? ? 1 +19849 N N B ARG M 70 0.1734 0.8413 0.8924 -0.0609 0.0872 0.0088 73 ARG O N ? ? 1 +19850 C CA A ARG M 70 0.1749 0.8507 0.9019 -0.0601 0.0922 0.0062 73 ARG O CA ? ? 1 +19851 C CA B ARG M 70 0.1735 0.8493 0.9005 -0.0600 0.0921 0.0062 73 ARG O CA ? ? 1 +19852 C C A ARG M 70 0.1890 0.8569 0.9070 -0.0617 0.1004 0.0062 73 ARG O C ? ? 1 +19853 C C B ARG M 70 0.1882 0.8561 0.9062 -0.0617 0.1004 0.0062 73 ARG O C ? ? 1 +19854 O O A ARG M 70 0.1966 0.8540 0.9036 -0.0644 0.1027 0.0081 73 ARG O O ? ? 1 +19855 O O B ARG M 70 0.1957 0.8531 0.9028 -0.0644 0.1027 0.0081 73 ARG O O ? ? 1 +19856 C CB A ARG M 70 0.1677 0.8476 0.8978 -0.0544 0.0876 0.0055 73 ARG O CB ? ? 1 +19857 C CB B ARG M 70 0.1657 0.8454 0.8956 -0.0543 0.0875 0.0055 73 ARG O CB ? ? 1 +19858 C CG A ARG M 70 0.1553 0.8419 0.8933 -0.0528 0.0796 0.0057 73 ARG O CG ? ? 1 +19859 C CG B ARG M 70 0.1527 0.8392 0.8905 -0.0527 0.0795 0.0057 73 ARG O CG ? ? 1 +19860 C CD A ARG M 70 0.1499 0.8402 0.8909 -0.0474 0.0753 0.0050 73 ARG O CD ? ? 1 +19861 C CD B ARG M 70 0.1468 0.8370 0.8878 -0.0473 0.0752 0.0050 73 ARG O CD ? ? 1 +19862 N NE A ARG M 70 0.1489 0.8493 0.9007 -0.0460 0.0788 0.0021 73 ARG O NE ? ? 1 +19863 N NE B ARG M 70 0.1450 0.8455 0.8968 -0.0458 0.0786 0.0022 73 ARG O NE ? ? 1 +19864 C CZ A ARG M 70 0.1451 0.8502 0.9014 -0.0412 0.0761 0.0010 73 ARG O CZ ? ? 1 +19865 C CZ B ARG M 70 0.1412 0.8459 0.8970 -0.0411 0.0760 0.0011 73 ARG O CZ ? ? 1 +19866 N NH1 A ARG M 70 0.1428 0.8428 0.8933 -0.0376 0.0701 0.0025 73 ARG O NH1 ? ? 1 +19867 N NH1 B ARG M 70 0.1394 0.8383 0.8887 -0.0375 0.0704 0.0026 73 ARG O NH1 ? ? 1 +19868 N NH2 A ARG M 70 0.1447 0.8598 0.9116 -0.0401 0.0794 -0.0018 73 ARG O NH2 ? ? 1 +19869 N NH2 B ARG M 70 0.1406 0.8554 0.9071 -0.0398 0.0792 -0.0017 73 ARG O NH2 ? ? 1 +19870 N N . GLU M 71 0.1933 0.8663 0.9159 -0.0600 0.1051 0.0041 74 GLU O N ? ? 1 +19871 C CA . GLU M 71 0.2083 0.8759 0.9247 -0.0620 0.1139 0.0036 74 GLU O CA ? ? 1 +19872 C CB . GLU M 71 0.2151 0.8945 0.9439 -0.0613 0.1190 0.0003 74 GLU O CB ? ? 1 +19873 C CG . GLU M 71 0.2139 0.9076 0.9599 -0.0648 0.1202 -0.0021 74 GLU O CG ? ? 1 +19874 C CD . GLU M 71 0.2280 0.9179 0.9717 -0.0714 0.1257 -0.0016 74 GLU O CD ? ? 1 +19875 O OE1 . GLU M 71 0.2454 0.9301 0.9834 -0.0737 0.1339 -0.0019 74 GLU O OE1 ? ? 1 +19876 O OE2 . GLU M 71 0.2348 0.9258 0.9814 -0.0743 0.1219 -0.0009 74 GLU O OE2 ? ? 1 +19877 C C . GLU M 71 0.2149 0.8681 0.9137 -0.0592 0.1144 0.0057 74 GLU O C ? ? 1 +19878 O O . GLU M 71 0.2189 0.8707 0.9148 -0.0564 0.1178 0.0047 74 GLU O O ? ? 1 +19879 N N . THR M 72 0.2166 0.8587 0.9035 -0.0600 0.1112 0.0084 75 THR O N ? ? 1 +19880 C CA . THR M 72 0.2235 0.8521 0.8939 -0.0568 0.1095 0.0104 75 THR O CA ? ? 1 +19881 C CB . THR M 72 0.2130 0.8411 0.8824 -0.0532 0.0999 0.0116 75 THR O CB ? ? 1 +19882 O OG1 . THR M 72 0.2062 0.8355 0.8785 -0.0559 0.0959 0.0129 75 THR O OG1 ? ? 1 +19883 C CG2 . THR M 72 0.2027 0.8416 0.8837 -0.0497 0.0963 0.0097 75 THR O CG2 ? ? 1 +19884 C C . THR M 72 0.2358 0.8515 0.8924 -0.0600 0.1131 0.0126 75 THR O C ? ? 1 +19885 O O . THR M 72 0.2415 0.8456 0.8842 -0.0580 0.1101 0.0146 75 THR O O ? ? 1 +19886 N N . THR M 73 0.2405 0.8582 0.9010 -0.0651 0.1198 0.0119 76 THR O N ? ? 1 +19887 C CA . THR M 73 0.2495 0.8564 0.8996 -0.0687 0.1220 0.0141 76 THR O CA ? ? 1 +19888 C CB . THR M 73 0.2430 0.8582 0.9051 -0.0739 0.1231 0.0132 76 THR O CB ? ? 1 +19889 O OG1 . THR M 73 0.2427 0.8679 0.9165 -0.0767 0.1302 0.0105 76 THR O OG1 ? ? 1 +19890 C CG2 . THR M 73 0.2277 0.8519 0.9001 -0.0725 0.1145 0.0130 76 THR O CG2 ? ? 1 +19891 C C . THR M 73 0.2676 0.8627 0.9041 -0.0702 0.1304 0.0148 76 THR O C ? ? 1 +19892 O O . THR M 73 0.2785 0.8612 0.9018 -0.0717 0.1312 0.0171 76 THR O O ? ? 1 +19893 N N . SER M 74 0.2726 0.8713 0.9120 -0.0697 0.1367 0.0129 77 SER O N ? ? 1 +19894 C CA . SER M 74 0.2890 0.8782 0.9177 -0.0722 0.1460 0.0132 77 SER O CA ? ? 1 +19895 C CB . SER M 74 0.2901 0.8896 0.9301 -0.0737 0.1539 0.0102 77 SER O CB ? ? 1 +19896 O OG . SER M 74 0.2819 0.8948 0.9392 -0.0778 0.1546 0.0084 77 SER O OG ? ? 1 +19897 C C . SER M 74 0.3007 0.8748 0.9101 -0.0681 0.1456 0.0150 77 SER O C ? ? 1 +19898 O O . SER M 74 0.2967 0.8713 0.9045 -0.0631 0.1402 0.0148 77 SER O O ? ? 1 +19899 N N . LEU M 75 0.3170 0.8777 0.9118 -0.0706 0.1514 0.0168 78 LEU O N ? ? 1 +19900 C CA . LEU M 75 0.3332 0.8786 0.9085 -0.0674 0.1528 0.0183 78 LEU O CA ? ? 1 +19901 C CB . LEU M 75 0.3432 0.8733 0.9025 -0.0693 0.1530 0.0213 78 LEU O CB ? ? 1 +19902 C CG . LEU M 75 0.3313 0.8630 0.8941 -0.0698 0.1449 0.0228 78 LEU O CG ? ? 1 +19903 C CD1 . LEU M 75 0.3435 0.8594 0.8898 -0.0713 0.1459 0.0256 78 LEU O CD1 ? ? 1 +19904 C CD2 . LEU M 75 0.3192 0.8548 0.8844 -0.0646 0.1348 0.0228 78 LEU O CD2 ? ? 1 +19905 C C . LEU M 75 0.3489 0.8939 0.9227 -0.0682 0.1628 0.0167 78 LEU O C ? ? 1 +19906 O O . LEU M 75 0.3512 0.9022 0.9337 -0.0730 0.1705 0.0153 78 LEU O O ? ? 1 +19907 N N . ASP M 76 0.3610 0.8994 0.9244 -0.0635 0.1625 0.0166 79 ASP O N ? ? 1 +19908 C CA . ASP M 76 0.3760 0.9146 0.9383 -0.0635 0.1715 0.0148 79 ASP O CA ? ? 1 +19909 C CB . ASP M 76 0.3601 0.9173 0.9434 -0.0630 0.1720 0.0115 79 ASP O CB ? ? 1 +19910 C CG . ASP M 76 0.3657 0.9266 0.9526 -0.0644 0.1827 0.0092 79 ASP O CG ? ? 1 +19911 O OD1 . ASP M 76 0.3788 0.9279 0.9521 -0.0663 0.1905 0.0102 79 ASP O OD1 ? ? 1 +19912 O OD2 . ASP M 76 0.3545 0.9299 0.9575 -0.0634 0.1834 0.0064 79 ASP O OD2 ? ? 1 +19913 C C . ASP M 76 0.3971 0.9228 0.9416 -0.0585 0.1710 0.0155 79 ASP O C ? ? 1 +19914 O O . ASP M 76 0.3951 0.9145 0.9311 -0.0546 0.1627 0.0168 79 ASP O O ? ? 1 +19915 N N . GLN M 77 0.4232 0.9453 0.9624 -0.0588 0.1803 0.0144 80 GLN O N ? ? 1 +19916 C CA . GLN M 77 0.4486 0.9581 0.9704 -0.0546 0.1817 0.0147 80 GLN O CA ? ? 1 +19917 C CB . GLN M 77 0.4474 0.9626 0.9736 -0.0489 0.1744 0.0131 80 GLN O CB ? ? 1 +19918 C CG . GLN M 77 0.4442 0.9773 0.9913 -0.0490 0.1769 0.0100 80 GLN O CG ? ? 1 +19919 C CD . GLN M 77 0.4511 0.9868 0.9989 -0.0433 0.1736 0.0081 80 GLN O CD ? ? 1 +19920 O OE1 . GLN M 77 0.4721 1.0030 1.0125 -0.0414 0.1800 0.0068 80 GLN O OE1 ? ? 1 +19921 N NE2 . GLN M 77 0.4397 0.9831 0.9966 -0.0406 0.1641 0.0076 80 GLN O NE2 ? ? 1 +19922 C C . GLN M 77 0.4668 0.9579 0.9672 -0.0542 0.1798 0.0179 80 GLN O C ? ? 1 +19923 O O . GLN M 77 0.4742 0.9542 0.9593 -0.0497 0.1764 0.0186 80 GLN O O ? ? 1 +19924 N N . ILE M 78 0.4781 0.9658 0.9774 -0.0590 0.1825 0.0197 81 ILE O N ? ? 1 +19925 C CA . ILE M 78 0.5018 0.9718 0.9809 -0.0591 0.1819 0.0227 81 ILE O CA ? ? 1 +19926 C CB . ILE M 78 0.4967 0.9672 0.9801 -0.0635 0.1802 0.0245 81 ILE O CB ? ? 1 +19927 C CG1 . ILE M 78 0.4770 0.9591 0.9741 -0.0619 0.1692 0.0242 81 ILE O CG1 ? ? 1 +19928 C CG2 . ILE M 78 0.5140 0.9651 0.9755 -0.0635 0.1807 0.0277 81 ILE O CG2 ? ? 1 +19929 C CD1 . ILE M 78 0.4698 0.9545 0.9735 -0.0661 0.1672 0.0254 81 ILE O CD1 ? ? 1 +19930 C C . ILE M 78 0.5370 0.9946 1.0010 -0.0601 0.1927 0.0231 81 ILE O C ? ? 1 +19931 O O . ILE M 78 0.5425 1.0060 1.0145 -0.0640 0.2022 0.0216 81 ILE O O ? ? 1 +19932 N N . GLN M 79 0.5745 1.0151 1.0166 -0.0565 0.1910 0.0249 82 GLN O N ? ? 1 +19933 C CA . GLN M 79 0.6123 1.0386 1.0370 -0.0571 0.2008 0.0257 82 GLN O CA ? ? 1 +19934 C CB . GLN M 79 0.6317 1.0589 1.0539 -0.0530 0.2031 0.0235 82 GLN O CB ? ? 1 +19935 C CG . GLN M 79 0.6480 1.0713 1.0625 -0.0464 0.1923 0.0234 82 GLN O CG ? ? 1 +19936 C CD . GLN M 79 0.6678 1.0887 1.0762 -0.0423 0.1949 0.0215 82 GLN O CD ? ? 1 +19937 O OE1 . GLN M 79 0.6757 1.1017 1.0898 -0.0439 0.2043 0.0196 82 GLN O OE1 ? ? 1 +19938 N NE2 . GLN M 79 0.6788 1.0921 1.0756 -0.0369 0.1865 0.0217 82 GLN O NE2 ? ? 1 +19939 C C . GLN M 79 0.6290 1.0354 1.0302 -0.0553 0.1979 0.0289 82 GLN O C ? ? 1 +19940 O O . GLN M 79 0.6174 1.0214 1.0151 -0.0520 0.1875 0.0301 82 GLN O O ? ? 1 +19941 N N . GLY M 80 0.6563 1.0486 1.0417 -0.0574 0.2074 0.0303 83 GLY O N ? ? 1 +19942 C CA . GLY M 80 0.6839 1.0558 1.0453 -0.0556 0.2059 0.0335 83 GLY O CA ? ? 1 +19943 C C . GLY M 80 0.7113 1.0692 1.0574 -0.0588 0.2185 0.0347 83 GLY O C ? ? 1 +19944 O O . GLY M 80 0.7038 1.0691 1.0599 -0.0631 0.2285 0.0331 83 GLY O O ? ? 1 +19945 N N . GLU M 81 0.7413 1.0791 1.0634 -0.0567 0.2179 0.0376 84 GLU O N ? ? 1 +19946 C CA . GLU M 81 0.7714 1.0927 1.0753 -0.0592 0.2292 0.0392 84 GLU O CA ? ? 1 +19947 C CB . GLU M 81 0.8031 1.1022 1.0787 -0.0540 0.2252 0.0420 84 GLU O CB ? ? 1 +19948 C CG . GLU M 81 0.8504 1.1308 1.1047 -0.0558 0.2369 0.0438 84 GLU O CG ? ? 1 +19949 C CD . GLU M 81 0.8915 1.1496 1.1165 -0.0500 0.2336 0.0461 84 GLU O CD ? ? 1 +19950 O OE1 . GLU M 81 0.8915 1.1473 1.1119 -0.0450 0.2215 0.0468 84 GLU O OE1 ? ? 1 +19951 O OE2 . GLU M 81 0.9152 1.1585 1.1221 -0.0503 0.2431 0.0470 84 GLU O OE2 ? ? 1 +19952 C C . GLU M 81 0.7706 1.0929 1.0811 -0.0665 0.2361 0.0404 84 GLU O C ? ? 1 +19953 O O . GLU M 81 0.7507 1.0763 1.0678 -0.0678 0.2297 0.0415 84 GLU O O ? ? 1 +19954 N N . LEU M 82 0.7819 1.1013 1.0908 -0.0713 0.2494 0.0400 85 LEU O N ? ? 1 +19955 C CA . LEU M 82 0.7853 1.1015 1.0959 -0.0785 0.2576 0.0414 85 LEU O CA ? ? 1 +19956 C CB . LEU M 82 0.7692 1.1029 1.1023 -0.0848 0.2669 0.0384 85 LEU O CB ? ? 1 +19957 C CG . LEU M 82 0.7711 1.1038 1.1091 -0.0930 0.2750 0.0392 85 LEU O CG ? ? 1 +19958 C CD1 . LEU M 82 0.7561 1.0952 1.1047 -0.0944 0.2660 0.0400 85 LEU O CD1 ? ? 1 +19959 C CD2 . LEU M 82 0.7654 1.1142 1.1235 -0.0989 0.2851 0.0360 85 LEU O CD2 ? ? 1 +19960 C C . LEU M 82 0.8254 1.1172 1.1081 -0.0787 0.2656 0.0443 85 LEU O C ? ? 1 +19961 O O . LEU M 82 0.8394 1.1264 1.1153 -0.0799 0.2760 0.0436 85 LEU O O ? ? 1 +19962 N N . LYS M 83 0.8480 1.1246 1.1145 -0.0771 0.2604 0.0475 86 LYS O N ? ? 1 +19963 C CA . LYS M 83 0.8899 1.1414 1.1274 -0.0761 0.2658 0.0507 86 LYS O CA ? ? 1 +19964 C CB . LYS M 83 0.9037 1.1417 1.1243 -0.0701 0.2543 0.0534 86 LYS O CB ? ? 1 +19965 C CG . LYS M 83 0.9104 1.1504 1.1270 -0.0619 0.2432 0.0523 86 LYS O CG ? ? 1 +19966 C CD . LYS M 83 0.9261 1.1496 1.1218 -0.0557 0.2333 0.0551 86 LYS O CD ? ? 1 +19967 C CE . LYS M 83 0.9168 1.1455 1.1220 -0.0568 0.2252 0.0562 86 LYS O CE ? ? 1 +19968 N NZ . LYS M 83 0.9303 1.1441 1.1161 -0.0504 0.2154 0.0586 86 LYS O NZ ? ? 1 +19969 C C . LYS M 83 0.9111 1.1547 1.1455 -0.0839 0.2774 0.0522 86 LYS O C ? ? 1 +19970 O O . LYS M 83 0.8909 1.1440 1.1409 -0.0889 0.2767 0.0520 86 LYS O O ? ? 1 +19971 N N . VAL M 84 0.9572 1.1828 1.1706 -0.0847 0.2880 0.0538 87 VAL O N ? ? 1 +19972 C CA . VAL M 84 0.9880 1.2004 1.1919 -0.0914 0.2990 0.0560 87 VAL O CA ? ? 1 +19973 C CB . VAL M 84 1.0017 1.2085 1.1987 -0.0949 0.3141 0.0553 87 VAL O CB ? ? 1 +19974 C CG1 . VAL M 84 1.0297 1.2180 1.2110 -0.1010 0.3256 0.0581 87 VAL O CG1 ? ? 1 +19975 C CG2 . VAL M 84 0.9786 1.2099 1.2039 -0.0991 0.3190 0.0511 87 VAL O CG2 ? ? 1 +19976 C C . VAL M 84 1.0153 1.2036 1.1921 -0.0877 0.2945 0.0601 87 VAL O C ? ? 1 +19977 O O . VAL M 84 1.0365 1.2099 1.1914 -0.0811 0.2916 0.0615 87 VAL O O ? ? 1 +19978 N N . ASN M 85 1.0272 1.2117 1.2052 -0.0917 0.2938 0.0620 88 ASN O N ? ? 1 +19979 C CA . ASN M 85 1.0543 1.2166 1.2078 -0.0881 0.2891 0.0659 88 ASN O CA ? ? 1 +19980 C CB . ASN M 85 1.0388 1.2084 1.2047 -0.0893 0.2802 0.0664 88 ASN O CB ? ? 1 +19981 C CG . ASN M 85 1.0164 1.2061 1.2016 -0.0847 0.2670 0.0640 88 ASN O CG ? ? 1 +19982 O OD1 . ASN M 85 0.9959 1.2047 1.2057 -0.0885 0.2643 0.0619 88 ASN O OD1 ? ? 1 +19983 N ND2 . ASN M 85 1.0202 1.2059 1.1945 -0.0765 0.2585 0.0641 88 ASN O ND2 ? ? 1 +19984 C C . ASN M 85 1.0962 1.2357 1.2273 -0.0923 0.3022 0.0687 88 ASN O C ? ? 1 +19985 O O . ASN M 85 1.0982 1.2404 1.2346 -0.0986 0.3151 0.0675 88 ASN O O ? ? 1 +19986 N N . SER M 86 1.1254 1.2424 1.2313 -0.0883 0.2985 0.0724 89 SER O N ? ? 1 +19987 C CA . SER M 86 1.1509 1.2431 1.2322 -0.0914 0.3094 0.0757 89 SER O CA ? ? 1 +19988 C CB . SER M 86 1.1745 1.2464 1.2336 -0.0863 0.3014 0.0795 89 SER O CB ? ? 1 +19989 O OG . SER M 86 1.1895 1.2594 1.2395 -0.0764 0.2882 0.0797 89 SER O OG ? ? 1 +19990 C C . SER M 86 1.1367 1.2330 1.2306 -0.1022 0.3214 0.0753 89 SER O C ? ? 1 +19991 O O . SER M 86 1.1478 1.2342 1.2325 -0.1072 0.3352 0.0759 89 SER O O ? ? 1 +19992 N N . ASP M 87 1.1078 1.2188 1.2227 -0.1056 0.3158 0.0743 90 ASP O N ? ? 1 +19993 C CA . ASP M 87 1.1057 1.2203 1.2327 -0.1156 0.3248 0.0739 90 ASP O CA ? ? 1 +19994 C CB . ASP M 87 1.0959 1.2137 1.2307 -0.1156 0.3149 0.0747 90 ASP O CB ? ? 1 +19995 C CG . ASP M 87 1.0698 1.2112 1.2277 -0.1115 0.3015 0.0720 90 ASP O CG ? ? 1 +19996 O OD1 . ASP M 87 1.0676 1.2133 1.2235 -0.1044 0.2948 0.0712 90 ASP O OD1 ? ? 1 +19997 O OD2 . ASP M 87 1.0563 1.2111 1.2336 -0.1154 0.2977 0.0708 90 ASP O OD2 ? ? 1 +19998 C C . ASP M 87 1.0844 1.2235 1.2403 -0.1224 0.3319 0.0697 90 ASP O C ? ? 1 +19999 O O . ASP M 87 1.0878 1.2351 1.2594 -0.1307 0.3374 0.0685 90 ASP O O ? ? 1 +20000 N N . GLY M 88 1.0641 1.2149 1.2271 -0.1189 0.3313 0.0672 91 GLY O N ? ? 1 +20001 C CA . GLY M 88 1.0369 1.2105 1.2261 -0.1244 0.3380 0.0631 91 GLY O CA ? ? 1 +20002 C C . GLY M 88 0.9877 1.1883 1.2074 -0.1244 0.3280 0.0599 91 GLY O C ? ? 1 +20003 O O . GLY M 88 0.9700 1.1910 1.2124 -0.1279 0.3319 0.0563 91 GLY O O ? ? 1 +20004 N N . SER M 89 0.9639 1.1646 1.1840 -0.1204 0.3152 0.0612 92 SER O N ? ? 1 +20005 C CA . SER M 89 0.9175 1.1422 1.1639 -0.1193 0.3045 0.0584 92 SER O CA ? ? 1 +20006 C CB . SER M 89 0.9127 1.1329 1.1557 -0.1163 0.2928 0.0604 92 SER O CB ? ? 1 +20007 O OG . SER M 89 0.9254 1.1305 1.1465 -0.1074 0.2846 0.0630 92 SER O OG ? ? 1 +20008 C C . SER M 89 0.8876 1.1234 1.1393 -0.1122 0.2981 0.0564 92 SER O C ? ? 1 +20009 O O . SER M 89 0.9022 1.1241 1.1335 -0.1066 0.2981 0.0578 92 SER O O ? ? 1 +20010 N N . LEU M 90 0.8425 1.1029 1.1212 -0.1127 0.2926 0.0530 93 LEU O N ? ? 1 +20011 C CA . LEU M 90 0.8170 1.0896 1.1032 -0.1061 0.2850 0.0509 93 LEU O CA ? ? 1 +20012 C CB . LEU M 90 0.8026 1.0985 1.1152 -0.1099 0.2899 0.0468 93 LEU O CB ? ? 1 +20013 C CG . LEU M 90 0.8226 1.1152 1.1328 -0.1155 0.3055 0.0459 93 LEU O CG ? ? 1 +20014 C CD1 . LEU M 90 0.8053 1.1224 1.1442 -0.1202 0.3102 0.0416 93 LEU O CD1 ? ? 1 +20015 C CD2 . LEU M 90 0.8406 1.1196 1.1301 -0.1101 0.3089 0.0467 93 LEU O CD2 ? ? 1 +20016 C C . LEU M 90 0.7847 1.0634 1.0764 -0.1008 0.2696 0.0513 93 LEU O C ? ? 1 +20017 O O . LEU M 90 0.7760 1.0601 1.0781 -0.1040 0.2659 0.0516 93 LEU O O ? ? 1 +20018 N N . THR M 91 0.7669 1.0446 1.0516 -0.0928 0.2610 0.0513 94 THR O N ? ? 1 +20019 C CA . THR M 91 0.7373 1.0231 1.0294 -0.0876 0.2466 0.0512 94 THR O CA ? ? 1 +20020 C CB . THR M 91 0.7482 1.0141 1.0158 -0.0816 0.2392 0.0545 94 THR O CB ? ? 1 +20021 O OG1 . THR M 91 0.7592 1.0130 1.0184 -0.0856 0.2424 0.0571 94 THR O OG1 ? ? 1 +20022 C CG2 . THR M 91 0.7272 1.0015 1.0013 -0.0754 0.2243 0.0541 94 THR O CG2 ? ? 1 +20023 C C . THR M 91 0.7109 1.0130 1.0166 -0.0833 0.2412 0.0482 94 THR O C ? ? 1 +20024 O O . THR M 91 0.7192 1.0150 1.0133 -0.0792 0.2429 0.0479 94 THR O O ? ? 1 +20025 N N . PHE M 92 0.6802 1.0027 1.0100 -0.0843 0.2348 0.0460 95 PHE O N ? ? 1 +20026 C CA . PHE M 92 0.6578 0.9956 1.0009 -0.0798 0.2276 0.0434 95 PHE O CA ? ? 1 +20027 C CB . PHE M 92 0.6338 0.9950 1.0059 -0.0841 0.2275 0.0404 95 PHE O CB ? ? 1 +20028 C CG . PHE M 92 0.6142 0.9912 1.0005 -0.0793 0.2191 0.0380 95 PHE O CG ? ? 1 +20029 C CD1 . PHE M 92 0.6177 0.9959 1.0014 -0.0760 0.2218 0.0363 95 PHE O CD1 ? ? 1 +20030 C CD2 . PHE M 92 0.5933 0.9827 0.9943 -0.0781 0.2087 0.0374 95 PHE O CD2 ? ? 1 +20031 C CE1 . PHE M 92 0.6002 0.9920 0.9963 -0.0717 0.2142 0.0341 95 PHE O CE1 ? ? 1 +20032 C CE2 . PHE M 92 0.5784 0.9811 0.9914 -0.0738 0.2013 0.0353 95 PHE O CE2 ? ? 1 +20033 C CZ . PHE M 92 0.5811 0.9848 0.9916 -0.0707 0.2041 0.0336 95 PHE O CZ ? ? 1 +20034 C C . PHE M 92 0.6476 0.9823 0.9843 -0.0731 0.2139 0.0446 95 PHE O C ? ? 1 +20035 O O . PHE M 92 0.6339 0.9691 0.9736 -0.0736 0.2075 0.0459 95 PHE O O ? ? 1 +20036 N N . VAL M 93 0.6485 0.9802 0.9767 -0.0669 0.2096 0.0441 96 VAL O N ? ? 1 +20037 C CA . VAL M 93 0.6423 0.9733 0.9666 -0.0604 0.1966 0.0446 96 VAL O CA ? ? 1 +20038 C CB . VAL M 93 0.6642 0.9739 0.9606 -0.0549 0.1947 0.0467 96 VAL O CB ? ? 1 +20039 C CG1 . VAL M 93 0.6510 0.9611 0.9443 -0.0482 0.1810 0.0468 96 VAL O CG1 ? ? 1 +20040 C CG2 . VAL M 93 0.6853 0.9766 0.9636 -0.0574 0.2003 0.0499 96 VAL O CG2 ? ? 1 +20041 C C . VAL M 93 0.6218 0.9704 0.9634 -0.0578 0.1913 0.0415 96 VAL O C ? ? 1 +20042 O O . VAL M 93 0.6316 0.9799 0.9697 -0.0555 0.1945 0.0400 96 VAL O O ? ? 1 +20043 N N . GLU M 94 0.5952 0.9588 0.9553 -0.0582 0.1834 0.0405 97 GLU O N ? ? 1 +20044 C CA . GLU M 94 0.5744 0.9547 0.9515 -0.0558 0.1779 0.0378 97 GLU O CA ? ? 1 +20045 C CB . GLU M 94 0.5531 0.9486 0.9499 -0.0574 0.1706 0.0372 97 GLU O CB ? ? 1 +20046 C CG . GLU M 94 0.5352 0.9488 0.9513 -0.0559 0.1667 0.0342 97 GLU O CG ? ? 1 +20047 C CD . GLU M 94 0.5206 0.9414 0.9439 -0.0522 0.1543 0.0341 97 GLU O CD ? ? 1 +20048 O OE1 . GLU M 94 0.5257 0.9378 0.9391 -0.0504 0.1482 0.0362 97 GLU O OE1 ? ? 1 +20049 O OE2 . GLU M 94 0.5040 0.9388 0.9424 -0.0509 0.1507 0.0318 97 GLU O OE2 ? ? 1 +20050 C C . GLU M 94 0.5760 0.9496 0.9407 -0.0488 0.1701 0.0377 97 GLU O C ? ? 1 +20051 O O . GLU M 94 0.5825 0.9463 0.9350 -0.0455 0.1628 0.0395 97 GLU O O ? ? 1 +20052 N N A GLU M 95 0.5711 0.9505 0.9397 -0.0467 0.1716 0.0354 98 GLU O N ? ? 1 +20053 N N B GLU M 95 0.5718 0.9512 0.9404 -0.0467 0.1716 0.0354 98 GLU O N ? ? 1 +20054 C CA A GLU M 95 0.5720 0.9458 0.9298 -0.0404 0.1648 0.0348 98 GLU O CA ? ? 1 +20055 C CA B GLU M 95 0.5732 0.9470 0.9311 -0.0404 0.1650 0.0347 98 GLU O CA ? ? 1 +20056 C C A GLU M 95 0.5468 0.9366 0.9221 -0.0381 0.1559 0.0326 98 GLU O C ? ? 1 +20057 C C B GLU M 95 0.5474 0.9372 0.9229 -0.0381 0.1558 0.0326 98 GLU O C ? ? 1 +20058 O O A GLU M 95 0.5458 0.9332 0.9166 -0.0339 0.1460 0.0329 98 GLU O O ? ? 1 +20059 O O B GLU M 95 0.5461 0.9338 0.9173 -0.0340 0.1459 0.0329 98 GLU O O ? ? 1 +20060 C CB A GLU M 95 0.5913 0.9560 0.9361 -0.0392 0.1733 0.0340 98 GLU O CB ? ? 1 +20061 C CB B GLU M 95 0.5913 0.9582 0.9387 -0.0393 0.1734 0.0336 98 GLU O CB ? ? 1 +20062 C CG A GLU M 95 0.6162 0.9590 0.9344 -0.0374 0.1755 0.0366 98 GLU O CG ? ? 1 +20063 C CG B GLU M 95 0.5959 0.9595 0.9351 -0.0332 0.1671 0.0322 98 GLU O CG ? ? 1 +20064 C CD A GLU M 95 0.6371 0.9686 0.9419 -0.0392 0.1879 0.0370 98 GLU O CD ? ? 1 +20065 C CD B GLU M 95 0.6065 0.9686 0.9418 -0.0323 0.1752 0.0303 98 GLU O CD ? ? 1 +20066 O OE1 A GLU M 95 0.6427 0.9742 0.9446 -0.0369 0.1910 0.0351 98 GLU O OE1 ? ? 1 +20067 O OE1 B GLU M 95 0.5979 0.9749 0.9512 -0.0338 0.1780 0.0279 98 GLU O OE1 ? ? 1 +20068 O OE2 A GLU M 95 0.6483 0.9704 0.9450 -0.0429 0.1946 0.0391 98 GLU O OE2 ? ? 1 +20069 O OE2 B GLU M 95 0.6268 0.9726 0.9408 -0.0300 0.1788 0.0312 98 GLU O OE2 ? ? 1 +20070 N N . ASP M 96 0.5284 0.9343 0.9239 -0.0408 0.1593 0.0304 99 ASP O N ? ? 1 +20071 C CA . ASP M 96 0.5003 0.9214 0.9127 -0.0388 0.1520 0.0283 99 ASP O CA ? ? 1 +20072 C CB . ASP M 96 0.5047 0.9225 0.9096 -0.0337 0.1501 0.0265 99 ASP O CB ? ? 1 +20073 C CG . ASP M 96 0.4881 0.9181 0.9063 -0.0308 0.1415 0.0245 99 ASP O CG ? ? 1 +20074 O OD1 . ASP M 96 0.4740 0.9131 0.9044 -0.0316 0.1347 0.0248 99 ASP O OD1 ? ? 1 +20075 O OD2 . ASP M 96 0.4899 0.9200 0.9060 -0.0276 0.1416 0.0226 99 ASP O OD2 ? ? 1 +20076 C C . ASP M 96 0.4777 0.9160 0.9123 -0.0429 0.1569 0.0264 99 ASP O C ? ? 1 +20077 O O . ASP M 96 0.4840 0.9225 0.9205 -0.0470 0.1667 0.0262 99 ASP O O ? ? 1 +20078 N N . GLY M 97 0.4495 0.9020 0.9009 -0.0418 0.1499 0.0249 100 GLY O N ? ? 1 +20079 C CA . GLY M 97 0.4290 0.8987 0.9019 -0.0445 0.1529 0.0227 100 GLY O CA ? ? 1 +20080 C C . GLY M 97 0.4046 0.8866 0.8929 -0.0441 0.1434 0.0224 100 GLY O C ? ? 1 +20081 O O . GLY M 97 0.4011 0.8782 0.8832 -0.0417 0.1351 0.0238 100 GLY O O ? ? 1 +20082 N N . ILE M 98 0.3848 0.8827 0.8930 -0.0462 0.1448 0.0205 101 ILE O N ? ? 1 +20083 C CA . ILE M 98 0.3632 0.8728 0.8862 -0.0465 0.1369 0.0204 101 ILE O CA ? ? 1 +20084 C CB . ILE M 98 0.3494 0.8754 0.8915 -0.0461 0.1374 0.0176 101 ILE O CB ? ? 1 +20085 C CG1 . ILE M 98 0.3521 0.8763 0.8895 -0.0410 0.1354 0.0161 101 ILE O CG1 ? ? 1 +20086 C CG2 . ILE M 98 0.3303 0.8690 0.8886 -0.0469 0.1303 0.0173 101 ILE O CG2 ? ? 1 +20087 C CD1 . ILE M 98 0.3469 0.8836 0.8987 -0.0404 0.1387 0.0133 101 ILE O CD1 ? ? 1 +20088 C C . ILE M 98 0.3594 0.8681 0.8842 -0.0511 0.1382 0.0221 101 ILE O C ? ? 1 +20089 O O . ILE M 98 0.3561 0.8742 0.8938 -0.0554 0.1431 0.0212 101 ILE O O ? ? 1 +20090 N N . ASP M 99 0.3603 0.8572 0.8715 -0.0502 0.1339 0.0246 102 ASP O N ? ? 1 +20091 C CA . ASP M 99 0.3623 0.8532 0.8691 -0.0542 0.1364 0.0266 102 ASP O CA ? ? 1 +20092 C CB . ASP M 99 0.3824 0.8542 0.8661 -0.0527 0.1384 0.0288 102 ASP O CB ? ? 1 +20093 C CG . ASP M 99 0.3849 0.8482 0.8562 -0.0473 0.1294 0.0299 102 ASP O CG ? ? 1 +20094 O OD1 . ASP M 99 0.3705 0.8422 0.8510 -0.0451 0.1210 0.0293 102 ASP O OD1 ? ? 1 +20095 O OD2 . ASP M 99 0.4019 0.8500 0.8542 -0.0454 0.1308 0.0314 102 ASP O OD2 ? ? 1 +20096 C C . ASP M 99 0.3464 0.8426 0.8610 -0.0548 0.1285 0.0275 102 ASP O C ? ? 1 +20097 O O . ASP M 99 0.3508 0.8394 0.8586 -0.0568 0.1284 0.0295 102 ASP O O ? ? 1 +20098 N N . PHE M 100 0.3267 0.8356 0.8555 -0.0530 0.1220 0.0261 103 PHE O N ? ? 1 +20099 C CA . PHE M 100 0.3105 0.8266 0.8491 -0.0538 0.1150 0.0267 103 PHE O CA ? ? 1 +20100 C CB . PHE M 100 0.3091 0.8177 0.8376 -0.0496 0.1062 0.0282 103 PHE O CB ? ? 1 +20101 C CG . PHE M 100 0.3023 0.8139 0.8316 -0.0450 0.1010 0.0269 103 PHE O CG ? ? 1 +20102 C CD1 . PHE M 100 0.3128 0.8166 0.8309 -0.0425 0.1040 0.0264 103 PHE O CD1 ? ? 1 +20103 C CD2 . PHE M 100 0.2858 0.8079 0.8272 -0.0435 0.0936 0.0261 103 PHE O CD2 ? ? 1 +20104 C CE1 . PHE M 100 0.3084 0.8146 0.8272 -0.0385 0.0994 0.0250 103 PHE O CE1 ? ? 1 +20105 C CE2 . PHE M 100 0.2817 0.8059 0.8237 -0.0396 0.0892 0.0249 103 PHE O CE2 ? ? 1 +20106 C CZ . PHE M 100 0.2928 0.8092 0.8236 -0.0372 0.0921 0.0243 103 PHE O CZ ? ? 1 +20107 C C . PHE M 100 0.2936 0.8264 0.8515 -0.0536 0.1123 0.0244 103 PHE O C ? ? 1 +20108 O O . PHE M 100 0.2910 0.8280 0.8520 -0.0510 0.1127 0.0228 103 PHE O O ? ? 1 +20109 N N . GLN M 101 0.2831 0.8248 0.8534 -0.0561 0.1094 0.0244 104 GLN O N ? ? 1 +20110 C CA . GLN M 101 0.2683 0.8247 0.8554 -0.0553 0.1046 0.0228 104 GLN O CA ? ? 1 +20111 C CB . GLN M 101 0.2636 0.8321 0.8658 -0.0586 0.1106 0.0205 104 GLN O CB ? ? 1 +20112 C CG . GLN M 101 0.2712 0.8395 0.8718 -0.0579 0.1179 0.0189 104 GLN O CG ? ? 1 +20113 C CD . GLN M 101 0.2665 0.8378 0.8682 -0.0529 0.1138 0.0177 104 GLN O CD ? ? 1 +20114 O OE1 . GLN M 101 0.2555 0.8308 0.8615 -0.0502 0.1057 0.0179 104 GLN O OE1 ? ? 1 +20115 N NE2 . GLN M 101 0.2748 0.8439 0.8726 -0.0516 0.1196 0.0165 104 GLN O NE2 ? ? 1 +20116 C C . GLN M 101 0.2607 0.8197 0.8523 -0.0560 0.0978 0.0240 104 GLN O C ? ? 1 +20117 O O . GLN M 101 0.2648 0.8209 0.8551 -0.0596 0.1000 0.0250 104 GLN O O ? ? 1 +20118 N N . PRO M 102 0.2522 0.8162 0.8486 -0.0528 0.0896 0.0240 105 PRO O N ? ? 1 +20119 C CA . PRO M 102 0.2439 0.8129 0.8475 -0.0538 0.0839 0.0247 105 PRO O CA ? ? 1 +20120 C CB . PRO M 102 0.2343 0.8058 0.8392 -0.0496 0.0758 0.0247 105 PRO O CB ? ? 1 +20121 C CG . PRO M 102 0.2353 0.8082 0.8401 -0.0470 0.0779 0.0231 105 PRO O CG ? ? 1 +20122 C CD . PRO M 102 0.2493 0.8138 0.8441 -0.0483 0.0858 0.0232 105 PRO O CD ? ? 1 +20123 C C . PRO M 102 0.2384 0.8202 0.8583 -0.0573 0.0863 0.0231 105 PRO O C ? ? 1 +20124 O O . PRO M 102 0.2351 0.8259 0.8648 -0.0569 0.0883 0.0211 105 PRO O O ? ? 1 +20125 N N . VAL M 103 0.2405 0.8228 0.8631 -0.0607 0.0861 0.0239 106 VAL O N ? ? 1 +20126 C CA . VAL M 103 0.2347 0.8287 0.8724 -0.0642 0.0877 0.0223 106 VAL O CA ? ? 1 +20127 C CB . VAL M 103 0.2438 0.8348 0.8801 -0.0692 0.0960 0.0220 106 VAL O CB ? ? 1 +20128 C CG1 . VAL M 103 0.2354 0.8388 0.8877 -0.0732 0.0972 0.0201 106 VAL O CG1 ? ? 1 +20129 C CG2 . VAL M 103 0.2535 0.8410 0.8847 -0.0690 0.1032 0.0212 106 VAL O CG2 ? ? 1 +20130 C C . VAL M 103 0.2294 0.8267 0.8718 -0.0644 0.0810 0.0232 106 VAL O C ? ? 1 +20131 O O . VAL M 103 0.2361 0.8243 0.8687 -0.0641 0.0785 0.0252 106 VAL O O ? ? 1 +20132 N N . THR M 104 0.2220 0.8319 0.8790 -0.0646 0.0781 0.0216 107 THR O N ? ? 1 +20133 C CA . THR M 104 0.2198 0.8332 0.8819 -0.0654 0.0727 0.0222 107 THR O CA ? ? 1 +20134 C CB . THR M 104 0.2076 0.8262 0.8740 -0.0614 0.0652 0.0223 107 THR O CB ? ? 1 +20135 O OG1 . THR M 104 0.2133 0.8227 0.8678 -0.0578 0.0627 0.0238 107 THR O OG1 ? ? 1 +20136 C CG2 . THR M 104 0.1987 0.8207 0.8701 -0.0623 0.0600 0.0229 107 THR O CG2 ? ? 1 +20137 C C . THR M 104 0.2249 0.8478 0.8995 -0.0698 0.0757 0.0204 107 THR O C ? ? 1 +20138 O O . THR M 104 0.2209 0.8544 0.9069 -0.0698 0.0770 0.0182 107 THR O O ? ? 1 +20139 N N . VAL M 105 0.2387 0.8573 0.9107 -0.0733 0.0766 0.0212 108 VAL O N ? ? 1 +20140 C CA . VAL M 105 0.2432 0.8700 0.9265 -0.0778 0.0787 0.0195 108 VAL O CA ? ? 1 +20141 C CB . VAL M 105 0.2552 0.8748 0.9329 -0.0827 0.0861 0.0197 108 VAL O CB ? ? 1 +20142 C CG1 . VAL M 105 0.2647 0.8813 0.9383 -0.0830 0.0931 0.0191 108 VAL O CG1 ? ? 1 +20143 C CG2 . VAL M 105 0.2650 0.8709 0.9286 -0.0830 0.0847 0.0224 108 VAL O CG2 ? ? 1 +20144 C C . VAL M 105 0.2462 0.8758 0.9333 -0.0774 0.0720 0.0201 108 VAL O C ? ? 1 +20145 O O . VAL M 105 0.2441 0.8664 0.9225 -0.0749 0.0675 0.0222 108 VAL O O ? ? 1 +20146 N N . GLN M 106 0.2535 0.8938 0.9535 -0.0800 0.0715 0.0181 109 GLN O N ? ? 1 +20147 C CA . GLN M 106 0.2609 0.9045 0.9652 -0.0799 0.0655 0.0184 109 GLN O CA ? ? 1 +20148 C CB . GLN M 106 0.2515 0.9078 0.9683 -0.0774 0.0609 0.0167 109 GLN O CB ? ? 1 +20149 C CG . GLN M 106 0.2454 0.9038 0.9643 -0.0758 0.0539 0.0175 109 GLN O CG ? ? 1 +20150 C CD . GLN M 106 0.2376 0.9064 0.9661 -0.0725 0.0495 0.0163 109 GLN O CD ? ? 1 +20151 O OE1 . GLN M 106 0.2395 0.9078 0.9658 -0.0686 0.0480 0.0168 109 GLN O OE1 ? ? 1 +20152 N NE2 . GLN M 106 0.2354 0.9136 0.9747 -0.0738 0.0474 0.0145 109 GLN O NE2 ? ? 1 +20153 C C . GLN M 106 0.2791 0.9226 0.9861 -0.0854 0.0684 0.0175 109 GLN O C ? ? 1 +20154 O O . GLN M 106 0.2887 0.9377 1.0031 -0.0891 0.0736 0.0154 109 GLN O O ? ? 1 +20155 N N . MET M 107 0.2928 0.9298 0.9939 -0.0858 0.0652 0.0191 110 MET O N ? ? 1 +20156 C CA . MET M 107 0.3105 0.9463 1.0132 -0.0906 0.0670 0.0185 110 MET O CA ? ? 1 +20157 C CB . MET M 107 0.3527 0.9748 1.0417 -0.0904 0.0660 0.0211 110 MET O CB ? ? 1 +20158 C CG . MET M 107 0.3939 1.0039 1.0699 -0.0906 0.0712 0.0228 110 MET O CG ? ? 1 +20159 S SD . MET M 107 0.4691 1.0640 1.1297 -0.0896 0.0689 0.0258 110 MET O SD ? ? 1 +20160 C CE . MET M 107 0.4641 1.0596 1.1297 -0.0958 0.0713 0.0244 110 MET O CE ? ? 1 +20161 C C . MET M 107 0.2871 0.9336 1.0017 -0.0910 0.0619 0.0168 110 MET O C ? ? 1 +20162 O O . MET M 107 0.2728 0.9255 0.9919 -0.0870 0.0565 0.0168 110 MET O O ? ? 1 +20163 N N . ALA M 108 0.2858 0.9339 1.0049 -0.0959 0.0638 0.0154 111 ALA O N ? ? 1 +20164 C CA . ALA M 108 0.2794 0.9369 1.0090 -0.0967 0.0593 0.0136 111 ALA O CA ? ? 1 +20165 C CB . ALA M 108 0.2872 0.9444 1.0199 -0.1029 0.0626 0.0119 111 ALA O CB ? ? 1 +20166 C C . ALA M 108 0.2731 0.9264 0.9968 -0.0929 0.0526 0.0157 111 ALA O C ? ? 1 +20167 O O . ALA M 108 0.2780 0.9199 0.9903 -0.0927 0.0527 0.0179 111 ALA O O ? ? 1 +20168 N N . GLY M 109 0.2689 0.9312 1.0004 -0.0897 0.0470 0.0150 112 GLY O N ? ? 1 +20169 C CA . GLY M 109 0.2768 0.9362 1.0039 -0.0860 0.0408 0.0169 112 GLY O CA ? ? 1 +20170 C C . GLY M 109 0.2770 0.9354 1.0002 -0.0807 0.0381 0.0186 112 GLY O C ? ? 1 +20171 O O . GLY M 109 0.2920 0.9496 1.0130 -0.0775 0.0329 0.0199 112 GLY O O ? ? 1 +20172 N N . GLY M 110 0.2801 0.9380 1.0021 -0.0800 0.0419 0.0185 113 GLY O N ? ? 1 +20173 C CA . GLY M 110 0.2796 0.9387 1.0004 -0.0753 0.0396 0.0193 113 GLY O CA ? ? 1 +20174 C C . GLY M 110 0.2891 0.9374 0.9973 -0.0732 0.0407 0.0216 113 GLY O C ? ? 1 +20175 O O . GLY M 110 0.2857 0.9345 0.9926 -0.0698 0.0398 0.0220 113 GLY O O ? ? 1 +20176 N N . GLU M 111 0.2999 0.9380 0.9985 -0.0749 0.0425 0.0230 114 GLU O N ? ? 1 +20177 C CA . GLU M 111 0.3005 0.9278 0.9865 -0.0727 0.0432 0.0252 114 GLU O CA ? ? 1 +20178 C CB . GLU M 111 0.3356 0.9521 1.0116 -0.0746 0.0446 0.0267 114 GLU O CB ? ? 1 +20179 C CG . GLU M 111 0.3737 0.9786 1.0359 -0.0718 0.0445 0.0289 114 GLU O CG ? ? 1 +20180 C CD . GLU M 111 0.4189 1.0122 1.0703 -0.0730 0.0454 0.0305 114 GLU O CD ? ? 1 +20181 O OE1 . GLU M 111 0.4484 1.0414 1.1021 -0.0769 0.0476 0.0298 114 GLU O OE1 ? ? 1 +20182 O OE2 . GLU M 111 0.4429 1.0273 1.0833 -0.0699 0.0439 0.0324 114 GLU O OE2 ? ? 1 +20183 C C . GLU M 111 0.2779 0.9037 0.9616 -0.0728 0.0484 0.0247 114 GLU O C ? ? 1 +20184 O O . GLU M 111 0.2770 0.9043 0.9637 -0.0765 0.0539 0.0234 114 GLU O O ? ? 1 +20185 N N . ARG M 112 0.2513 0.8740 0.9294 -0.0688 0.0466 0.0257 115 ARG O N ? ? 1 +20186 C CA . ARG M 112 0.2376 0.8583 0.9124 -0.0680 0.0507 0.0253 115 ARG O CA ? ? 1 +20187 C CB . ARG M 112 0.2255 0.8515 0.9038 -0.0638 0.0469 0.0250 115 ARG O CB ? ? 1 +20188 C CG . ARG M 112 0.2150 0.8539 0.9075 -0.0641 0.0459 0.0229 115 ARG O CG ? ? 1 +20189 C CD . ARG M 112 0.2052 0.8481 0.9006 -0.0600 0.0403 0.0231 115 ARG O CD ? ? 1 +20190 N NE . ARG M 112 0.1926 0.8470 0.9005 -0.0596 0.0390 0.0212 115 ARG O NE ? ? 1 +20191 C CZ . ARG M 112 0.1836 0.8422 0.8950 -0.0561 0.0349 0.0211 115 ARG O CZ ? ? 1 +20192 N NH1 . ARG M 112 0.1828 0.8359 0.8872 -0.0532 0.0314 0.0226 115 ARG O NH1 ? ? 1 +20193 N NH2 . ARG M 112 0.1790 0.8475 0.9011 -0.0555 0.0341 0.0193 115 ARG O NH2 ? ? 1 +20194 C C . ARG M 112 0.2372 0.8446 0.8972 -0.0675 0.0531 0.0272 115 ARG O C ? ? 1 +20195 O O . ARG M 112 0.2446 0.8454 0.8966 -0.0651 0.0492 0.0289 115 ARG O O ? ? 1 +20196 N N . ILE M 113 0.2363 0.8398 0.8926 -0.0699 0.0598 0.0268 116 ILE O N ? ? 1 +20197 C CA . ILE M 113 0.2418 0.8319 0.8833 -0.0698 0.0629 0.0285 116 ILE O CA ? ? 1 +20198 C CB . ILE M 113 0.2526 0.8372 0.8910 -0.0748 0.0691 0.0285 116 ILE O CB ? ? 1 +20199 C CG1 . ILE M 113 0.2491 0.8369 0.8934 -0.0775 0.0668 0.0283 116 ILE O CG1 ? ? 1 +20200 C CG2 . ILE M 113 0.2651 0.8343 0.8866 -0.0742 0.0720 0.0306 116 ILE O CG2 ? ? 1 +20201 C CD1 . ILE M 113 0.2513 0.8323 0.8878 -0.0744 0.0606 0.0304 116 ILE O CD1 ? ? 1 +20202 C C . ILE M 113 0.2400 0.8282 0.8774 -0.0676 0.0657 0.0281 116 ILE O C ? ? 1 +20203 O O . ILE M 113 0.2445 0.8355 0.8854 -0.0700 0.0717 0.0268 116 ILE O O ? ? 1 +20204 N N . PRO M 114 0.2314 0.8155 0.8618 -0.0631 0.0615 0.0291 117 PRO O N ? ? 1 +20205 C CA . PRO M 114 0.2326 0.8124 0.8563 -0.0611 0.0643 0.0290 117 PRO O CA ? ? 1 +20206 C CB . PRO M 114 0.2270 0.8080 0.8498 -0.0564 0.0574 0.0293 117 PRO O CB ? ? 1 +20207 C CG . PRO M 114 0.2225 0.8032 0.8457 -0.0559 0.0517 0.0305 117 PRO O CG ? ? 1 +20208 C CD . PRO M 114 0.2222 0.8065 0.8519 -0.0600 0.0539 0.0302 117 PRO O CD ? ? 1 +20209 C C . PRO M 114 0.2425 0.8086 0.8511 -0.0619 0.0689 0.0304 117 PRO O C ? ? 1 +20210 O O . PRO M 114 0.2488 0.8065 0.8487 -0.0615 0.0669 0.0322 117 PRO O O ? ? 1 +20211 N N . LEU M 115 0.2448 0.8084 0.8503 -0.0629 0.0754 0.0297 118 LEU O N ? ? 1 +20212 C CA . LEU M 115 0.2558 0.8057 0.8459 -0.0633 0.0802 0.0311 118 LEU O CA ? ? 1 +20213 C CB . LEU M 115 0.2631 0.8103 0.8532 -0.0687 0.0877 0.0310 118 LEU O CB ? ? 1 +20214 C CG . LEU M 115 0.2589 0.8168 0.8620 -0.0722 0.0935 0.0286 118 LEU O CG ? ? 1 +20215 C CD1 . LEU M 115 0.2721 0.8229 0.8691 -0.0764 0.1024 0.0287 118 LEU O CD1 ? ? 1 +20216 C CD2 . LEU M 115 0.2457 0.8159 0.8644 -0.0747 0.0909 0.0273 118 LEU O CD2 ? ? 1 +20217 C C . LEU M 115 0.2580 0.8057 0.8432 -0.0610 0.0831 0.0304 118 LEU O C ? ? 1 +20218 O O . LEU M 115 0.2486 0.8060 0.8438 -0.0602 0.0832 0.0285 118 LEU O O ? ? 1 +20219 N N . LEU M 116 0.2700 0.8041 0.8388 -0.0595 0.0851 0.0318 119 LEU O N ? ? 1 +20220 C CA . LEU M 116 0.2773 0.8070 0.8389 -0.0575 0.0886 0.0313 119 LEU O CA ? ? 1 +20221 C CB . LEU M 116 0.2850 0.8033 0.8311 -0.0529 0.0841 0.0327 119 LEU O CB ? ? 1 +20222 C CG . LEU M 116 0.2919 0.8067 0.8313 -0.0501 0.0862 0.0318 119 LEU O CG ? ? 1 +20223 C CD1 . LEU M 116 0.2798 0.8049 0.8294 -0.0473 0.0810 0.0302 119 LEU O CD1 ? ? 1 +20224 C CD2 . LEU M 116 0.3066 0.8065 0.8271 -0.0469 0.0847 0.0334 119 LEU O CD2 ? ? 1 +20225 C C . LEU M 116 0.2886 0.8125 0.8453 -0.0615 0.0981 0.0313 119 LEU O C ? ? 1 +20226 O O . LEU M 116 0.3023 0.8130 0.8445 -0.0619 0.1006 0.0332 119 LEU O O ? ? 1 +20227 N N . PHE M 117 0.2828 0.8170 0.8521 -0.0645 0.1033 0.0293 120 PHE O N ? ? 1 +20228 C CA . PHE M 117 0.2932 0.8239 0.8602 -0.0688 0.1130 0.0289 120 PHE O CA ? ? 1 +20229 C CB . PHE M 117 0.2837 0.8296 0.8690 -0.0721 0.1169 0.0262 120 PHE O CB ? ? 1 +20230 C CG . PHE M 117 0.2941 0.8381 0.8787 -0.0764 0.1273 0.0254 120 PHE O CG ? ? 1 +20231 C CD1 . PHE M 117 0.3073 0.8400 0.8816 -0.0802 0.1327 0.0269 120 PHE O CD1 ? ? 1 +20232 C CD2 . PHE M 117 0.2921 0.8456 0.8864 -0.0767 0.1320 0.0229 120 PHE O CD2 ? ? 1 +20233 C CE1 . PHE M 117 0.3178 0.8486 0.8914 -0.0845 0.1427 0.0261 120 PHE O CE1 ? ? 1 +20234 C CE2 . PHE M 117 0.3020 0.8542 0.8961 -0.0808 0.1420 0.0219 120 PHE O CE2 ? ? 1 +20235 C CZ . PHE M 117 0.3149 0.8558 0.8986 -0.0849 0.1474 0.0236 120 PHE O CZ ? ? 1 +20236 C C . PHE M 117 0.3070 0.8272 0.8597 -0.0664 0.1171 0.0293 120 PHE O C ? ? 1 +20237 O O . PHE M 117 0.3045 0.8292 0.8598 -0.0633 0.1161 0.0280 120 PHE O O ? ? 1 +20238 N N . THR M 118 0.3229 0.8286 0.8599 -0.0676 0.1218 0.0312 121 THR O N ? ? 1 +20239 C CA . THR M 118 0.3376 0.8313 0.8584 -0.0645 0.1244 0.0319 121 THR O CA ? ? 1 +20240 C CB . THR M 118 0.3380 0.8243 0.8478 -0.0589 0.1153 0.0334 121 THR O CB ? ? 1 +20241 O OG1 . THR M 118 0.3496 0.8264 0.8455 -0.0554 0.1168 0.0335 121 THR O OG1 ? ? 1 +20242 C CG2 . THR M 118 0.3440 0.8199 0.8436 -0.0592 0.1124 0.0359 121 THR O CG2 ? ? 1 +20243 C C . THR M 118 0.3571 0.8374 0.8643 -0.0678 0.1331 0.0333 121 THR O C ? ? 1 +20244 O O . THR M 118 0.3590 0.8370 0.8670 -0.0719 0.1357 0.0342 121 THR O O ? ? 1 +20245 N N . VAL M 119 0.3723 0.8435 0.8669 -0.0658 0.1377 0.0334 122 VAL O N ? ? 1 +20246 C CA . VAL M 119 0.3943 0.8491 0.8711 -0.0674 0.1448 0.0353 122 VAL O CA ? ? 1 +20247 C CB . VAL M 119 0.4014 0.8586 0.8826 -0.0724 0.1564 0.0339 122 VAL O CB ? ? 1 +20248 C CG1 . VAL M 119 0.3921 0.8603 0.8899 -0.0784 0.1592 0.0329 122 VAL O CG1 ? ? 1 +20249 C CG2 . VAL M 119 0.3975 0.8633 0.8855 -0.0703 0.1587 0.0315 122 VAL O CG2 ? ? 1 +20250 C C . VAL M 119 0.4089 0.8502 0.8665 -0.0618 0.1421 0.0365 122 VAL O C ? ? 1 +20251 O O . VAL M 119 0.4259 0.8552 0.8692 -0.0620 0.1490 0.0373 122 VAL O O ? ? 1 +20252 N N . LYS M 120 0.4043 0.8474 0.8616 -0.0569 0.1321 0.0367 123 LYS O N ? ? 1 +20253 C CA . LYS M 120 0.4183 0.8499 0.8588 -0.0514 0.1282 0.0375 123 LYS O CA ? ? 1 +20254 C CB . LYS M 120 0.4049 0.8411 0.8488 -0.0470 0.1165 0.0374 123 LYS O CB ? ? 1 +20255 C CG . LYS M 120 0.3887 0.8393 0.8475 -0.0454 0.1128 0.0349 123 LYS O CG ? ? 1 +20256 C CD . LYS M 120 0.3779 0.8319 0.8388 -0.0412 0.1016 0.0349 123 LYS O CD ? ? 1 +20257 C CE . LYS M 120 0.3621 0.8296 0.8375 -0.0398 0.0981 0.0326 123 LYS O CE ? ? 1 +20258 N NZ . LYS M 120 0.3701 0.8342 0.8391 -0.0376 0.1016 0.0312 123 LYS O NZ ? ? 1 +20259 C C . LYS M 120 0.4444 0.8567 0.8630 -0.0511 0.1315 0.0401 123 LYS O C ? ? 1 +20260 O O . LYS M 120 0.4480 0.8552 0.8633 -0.0525 0.1301 0.0419 123 LYS O O ? ? 1 +20261 N N . ASN M 121 0.4654 0.8667 0.8688 -0.0489 0.1357 0.0402 124 ASN O N ? ? 1 +20262 C CA . ASN M 121 0.4926 0.8742 0.8732 -0.0478 0.1389 0.0427 124 ASN O CA ? ? 1 +20263 C CB . ASN M 121 0.4972 0.8710 0.8674 -0.0431 0.1290 0.0444 124 ASN O CB ? ? 1 +20264 C CG . ASN M 121 0.4937 0.8725 0.8654 -0.0378 0.1206 0.0428 124 ASN O CG ? ? 1 +20265 O OD1 . ASN M 121 0.5068 0.8814 0.8707 -0.0355 0.1227 0.0418 124 ASN O OD1 ? ? 1 +20266 N ND2 . ASN M 121 0.4801 0.8681 0.8623 -0.0361 0.1113 0.0424 124 ASN O ND2 ? ? 1 +20267 C C . ASN M 121 0.5048 0.8811 0.8837 -0.0537 0.1480 0.0440 124 ASN O C ? ? 1 +20268 O O . ASN M 121 0.5167 0.8786 0.8805 -0.0536 0.1485 0.0465 124 ASN O O ? ? 1 +20269 N N . LEU M 122 0.5033 0.8911 0.8975 -0.0587 0.1553 0.0422 125 LEU O N ? ? 1 +20270 C CA . LEU M 122 0.5131 0.8978 0.9082 -0.0651 0.1646 0.0429 125 LEU O CA ? ? 1 +20271 C CB . LEU M 122 0.5017 0.9029 0.9173 -0.0699 0.1710 0.0402 125 LEU O CB ? ? 1 +20272 C CG . LEU M 122 0.5097 0.9093 0.9279 -0.0771 0.1815 0.0404 125 LEU O CG ? ? 1 +20273 C CD1 . LEU M 122 0.5050 0.9044 0.9271 -0.0802 0.1785 0.0417 125 LEU O CD1 ? ? 1 +20274 C CD2 . LEU M 122 0.4994 0.9161 0.9377 -0.0809 0.1874 0.0372 125 LEU O CD2 ? ? 1 +20275 C C . LEU M 122 0.5414 0.9064 0.9135 -0.0650 0.1724 0.0449 125 LEU O C ? ? 1 +20276 O O . LEU M 122 0.5499 0.9103 0.9133 -0.0621 0.1748 0.0443 125 LEU O O ? ? 1 +20277 N N . VAL M 123 0.5609 0.9137 0.9227 -0.0677 0.1755 0.0473 126 VAL O N ? ? 1 +20278 C CA . VAL M 123 0.5929 0.9275 0.9351 -0.0695 0.1851 0.0491 126 VAL O CA ? ? 1 +20279 C CB . VAL M 123 0.6090 0.9233 0.9266 -0.0647 0.1807 0.0522 126 VAL O CB ? ? 1 +20280 C CG1 . VAL M 123 0.6347 0.9294 0.9313 -0.0667 0.1911 0.0543 126 VAL O CG1 ? ? 1 +20281 C CG2 . VAL M 123 0.6078 0.9211 0.9184 -0.0570 0.1715 0.0518 126 VAL O CG2 ? ? 1 +20282 C C . VAL M 123 0.6032 0.9402 0.9539 -0.0774 0.1935 0.0492 126 VAL O C ? ? 1 +20283 O O . VAL M 123 0.6010 0.9393 0.9566 -0.0793 0.1897 0.0501 126 VAL O O ? ? 1 +20284 N N . ALA M 124 0.6235 0.9615 0.9766 -0.0821 0.2049 0.0481 127 ALA O N ? ? 1 +20285 C CA . ALA M 124 0.6375 0.9807 1.0019 -0.0901 0.2131 0.0474 127 ALA O CA ? ? 1 +20286 C CB . ALA M 124 0.6180 0.9850 1.0097 -0.0930 0.2130 0.0438 127 ALA O CB ? ? 1 +20287 C C . ALA M 124 0.6727 1.0025 1.0236 -0.0943 0.2264 0.0483 127 ALA O C ? ? 1 +20288 O O . ALA M 124 0.6826 1.0124 1.0305 -0.0932 0.2319 0.0472 127 ALA O O ? ? 1 +20289 N N . SER M 125 0.7007 1.0190 1.0437 -0.0991 0.2315 0.0503 128 SER O N ? ? 1 +20290 C CA . SER M 125 0.7345 1.0370 1.0619 -0.1032 0.2440 0.0517 128 SER O CA ? ? 1 +20291 C CB . SER M 125 0.7562 1.0344 1.0572 -0.1006 0.2427 0.0556 128 SER O CB ? ? 1 +20292 O OG . SER M 125 0.7659 1.0360 1.0518 -0.0921 0.2353 0.0568 128 SER O OG ? ? 1 +20293 C C . SER M 125 0.7406 1.0508 1.0828 -0.1126 0.2536 0.0502 128 SER O C ? ? 1 +20294 O O . SER M 125 0.7209 1.0435 1.0803 -0.1157 0.2494 0.0490 128 SER O O ? ? 1 +20295 N N . THR M 126 0.7733 1.0763 1.1086 -0.1170 0.2664 0.0501 129 THR O N ? ? 1 +20296 C CA . THR M 126 0.7893 1.0952 1.1340 -0.1264 0.2770 0.0491 129 THR O CA ? ? 1 +20297 C CB . THR M 126 0.7919 1.1030 1.1413 -0.1299 0.2891 0.0469 129 THR O CB ? ? 1 +20298 O OG1 . THR M 126 0.8154 1.1061 1.1390 -0.1265 0.2943 0.0494 129 THR O OG1 ? ? 1 +20299 C CG2 . THR M 126 0.7692 1.1033 1.1404 -0.1274 0.2852 0.0432 129 THR O CG2 ? ? 1 +20300 C C . THR M 126 0.8313 1.1146 1.1554 -0.1294 0.2815 0.0526 129 THR O C ? ? 1 +20301 O O . THR M 126 0.8383 1.1041 1.1410 -0.1238 0.2762 0.0558 129 THR O O ? ? 1 +20302 N N . GLN M 127 0.8721 1.1561 1.2032 -0.1383 0.2913 0.0518 130 GLN O N ? ? 1 +20303 C CA . GLN M 127 0.9211 1.1825 1.2318 -0.1424 0.2988 0.0549 130 GLN O CA ? ? 1 +20304 C CB . GLN M 127 0.9492 1.2173 1.2750 -0.1529 0.3070 0.0532 130 GLN O CB ? ? 1 +20305 C CG . GLN M 127 0.9730 1.2595 1.3199 -0.1592 0.3166 0.0492 130 GLN O CG ? ? 1 +20306 C CD . GLN M 127 0.9763 1.2911 1.3538 -0.1594 0.3090 0.0452 130 GLN O CD ? ? 1 +20307 O OE1 . GLN M 127 0.9645 1.2887 1.3473 -0.1522 0.2984 0.0447 130 GLN O OE1 ? ? 1 +20308 N NE2 . GLN M 127 0.9938 1.3233 1.3925 -0.1678 0.3142 0.0421 130 GLN O NE2 ? ? 1 +20309 C C . GLN M 127 0.9365 1.1809 1.2255 -0.1410 0.3084 0.0566 130 GLN O C ? ? 1 +20310 O O . GLN M 127 0.9249 1.1776 1.2183 -0.1383 0.3101 0.0548 130 GLN O O ? ? 1 +20311 N N . PRO M 128 0.9564 1.1754 1.2199 -0.1421 0.3142 0.0602 131 PRO O N ? ? 1 +20312 C CA . PRO M 128 0.9765 1.1773 1.2172 -0.1408 0.3236 0.0621 131 PRO O CA ? ? 1 +20313 C CB . PRO M 128 0.9996 1.1732 1.2141 -0.1415 0.3261 0.0664 131 PRO O CB ? ? 1 +20314 C CG . PRO M 128 0.9873 1.1644 1.2079 -0.1394 0.3140 0.0671 131 PRO O CG ? ? 1 +20315 C CD . PRO M 128 0.9624 1.1676 1.2159 -0.1437 0.3113 0.0629 131 PRO O CD ? ? 1 +20316 C C . PRO M 128 0.9753 1.1826 1.2249 -0.1481 0.3383 0.0598 131 PRO O C ? ? 1 +20317 O O . PRO M 128 0.9551 1.1794 1.2279 -0.1555 0.3426 0.0568 131 PRO O O ? ? 1 +20318 N N . ASN M 129 0.9976 1.1908 1.2278 -0.1457 0.3458 0.0611 132 ASN O N ? ? 1 +20319 C CA . ASN M 129 1.0165 1.2111 1.2495 -0.1521 0.3609 0.0595 132 ASN O CA ? ? 1 +20320 C CB . ASN M 129 1.0500 1.2281 1.2722 -0.1609 0.3732 0.0614 132 ASN O CB ? ? 1 +20321 C CG . ASN M 129 1.0877 1.2352 1.2767 -0.1576 0.3730 0.0664 132 ASN O CG ? ? 1 +20322 O OD1 . ASN M 129 1.1121 1.2405 1.2769 -0.1549 0.3795 0.0687 132 ASN O OD1 ? ? 1 +20323 N ND2 . ASN M 129 1.0959 1.2374 1.2826 -0.1580 0.3661 0.0682 132 ASN O ND2 ? ? 1 +20324 C C . ASN M 129 0.9825 1.2065 1.2483 -0.1562 0.3627 0.0545 132 ASN O C ? ? 1 +20325 O O . ASN M 129 0.9907 1.2234 1.2717 -0.1652 0.3715 0.0525 132 ASN O O ? ? 1 +20326 N N . VAL M 130 0.9501 1.1893 1.2266 -0.1494 0.3541 0.0525 133 VAL O N ? ? 1 +20327 C CA . VAL M 130 0.9156 1.1819 1.2213 -0.1519 0.3555 0.0478 133 VAL O CA ? ? 1 +20328 C CB . VAL M 130 0.8896 1.1756 1.2141 -0.1462 0.3404 0.0458 133 VAL O CB ? ? 1 +20329 C CG1 . VAL M 130 0.8740 1.1675 1.2122 -0.1500 0.3338 0.0457 133 VAL O CG1 ? ? 1 +20330 C CG2 . VAL M 130 0.8973 1.1732 1.2043 -0.1359 0.3296 0.0481 133 VAL O CG2 ? ? 1 +20331 C C . VAL M 130 0.9103 1.1749 1.2098 -0.1505 0.3650 0.0467 133 VAL O C ? ? 1 +20332 O O . VAL M 130 0.8988 1.1659 1.1946 -0.1427 0.3589 0.0463 133 VAL O O ? ? 1 +20333 N N . THR M 131 0.9075 1.1676 1.2055 -0.1582 0.3801 0.0462 134 THR O N ? ? 1 +20334 C CA . THR M 131 0.9066 1.1668 1.2013 -0.1582 0.3911 0.0448 134 THR O CA ? ? 1 +20335 C CB . THR M 131 0.9285 1.1814 1.2205 -0.1681 0.4082 0.0447 134 THR O CB ? ? 1 +20336 O OG1 . THR M 131 0.9136 1.1899 1.2362 -0.1759 0.4116 0.0407 134 THR O OG1 ? ? 1 +20337 C CG2 . THR M 131 0.9503 1.1769 1.2179 -0.1712 0.4117 0.0491 134 THR O CG2 ? ? 1 +20338 C C . THR M 131 0.8725 1.1605 1.1948 -0.1563 0.3877 0.0401 134 THR O C ? ? 1 +20339 O O . THR M 131 0.8644 1.1541 1.1829 -0.1508 0.3883 0.0391 134 THR O O ? ? 1 +20340 N N . SER M 132 0.8471 1.1563 1.1967 -0.1609 0.3840 0.0373 135 SER O N ? ? 1 +20341 C CA . SER M 132 0.8225 1.1594 1.2007 -0.1599 0.3806 0.0327 135 SER O CA ? ? 1 +20342 C CB . SER M 132 0.8262 1.1772 1.2238 -0.1689 0.3939 0.0291 135 SER O CB ? ? 1 +20343 O OG . SER M 132 0.8536 1.1913 1.2361 -0.1717 0.4086 0.0298 135 SER O OG ? ? 1 +20344 C C . SER M 132 0.7973 1.1489 1.1931 -0.1583 0.3665 0.0318 135 SER O C ? ? 1 +20345 O O . SER M 132 0.7958 1.1426 1.1912 -0.1625 0.3641 0.0333 135 SER O O ? ? 1 +20346 N N . ILE M 133 0.7738 1.1428 1.1845 -0.1523 0.3572 0.0294 136 ILE O N ? ? 1 +20347 C CA . ILE M 133 0.7480 1.1342 1.1790 -0.1514 0.3451 0.0279 136 ILE O CA ? ? 1 +20348 C CB . ILE M 133 0.7299 1.1250 1.1647 -0.1419 0.3329 0.0272 136 ILE O CB ? ? 1 +20349 C CG1 . ILE M 133 0.7372 1.1113 1.1454 -0.1348 0.3250 0.0313 136 ILE O CG1 ? ? 1 +20350 C CG2 . ILE M 133 0.7022 1.1193 1.1625 -0.1416 0.3223 0.0247 136 ILE O CG2 ? ? 1 +20351 C CD1 . ILE M 133 0.7286 1.1065 1.1350 -0.1260 0.3165 0.0308 136 ILE O CD1 ? ? 1 +20352 C C . ILE M 133 0.7382 1.1464 1.1976 -0.1592 0.3509 0.0237 136 ILE O C ? ? 1 +20353 O O . ILE M 133 0.7360 1.1578 1.2085 -0.1596 0.3571 0.0204 136 ILE O O ? ? 1 +20354 N N . THR M 134 0.7400 1.1512 1.2082 -0.1650 0.3488 0.0237 137 THR O N ? ? 1 +20355 C CA . THR M 134 0.7391 1.1701 1.2336 -0.1729 0.3536 0.0198 137 THR O CA ? ? 1 +20356 C CB . THR M 134 0.7529 1.1724 1.2411 -0.1827 0.3659 0.0206 137 THR O CB ? ? 1 +20357 O OG1 . THR M 134 0.7594 1.1613 1.2310 -0.1826 0.3602 0.0245 137 THR O OG1 ? ? 1 +20358 C CG2 . THR M 134 0.7704 1.1771 1.2434 -0.1845 0.3800 0.0213 137 THR O CG2 ? ? 1 +20359 C C . THR M 134 0.7267 1.1722 1.2388 -0.1723 0.3410 0.0186 137 THR O C ? ? 1 +20360 O O . THR M 134 0.7214 1.1613 1.2250 -0.1658 0.3292 0.0209 137 THR O O ? ? 1 +20361 N N . THR M 135 0.7267 1.1905 1.2630 -0.1793 0.3437 0.0150 138 THR O N ? ? 1 +20362 C CA . THR M 135 0.7218 1.1997 1.2756 -0.1798 0.3328 0.0135 138 THR O CA ? ? 1 +20363 C CB . THR M 135 0.7059 1.2068 1.2884 -0.1869 0.3374 0.0085 138 THR O CB ? ? 1 +20364 O OG1 . THR M 135 0.7167 1.2094 1.2964 -0.1966 0.3476 0.0086 138 THR O OG1 ? ? 1 +20365 C CG2 . THR M 135 0.7083 1.2250 1.3046 -0.1855 0.3434 0.0049 138 THR O CG2 ? ? 1 +20366 C C . THR M 135 0.7458 1.2075 1.2862 -0.1821 0.3286 0.0169 138 THR O C ? ? 1 +20367 O O . THR M 135 0.7550 1.2250 1.3060 -0.1817 0.3187 0.0164 138 THR O O ? ? 1 +20368 N N . SER M 136 0.7742 1.2128 1.2913 -0.1848 0.3367 0.0202 139 SER O N ? ? 1 +20369 C CA . SER M 136 0.7837 1.2036 1.2842 -0.1862 0.3335 0.0239 139 SER O CA ? ? 1 +20370 C CB . SER M 136 0.8081 1.2110 1.2952 -0.1943 0.3471 0.0253 139 SER O CB ? ? 1 +20371 O OG . SER M 136 0.8333 1.2194 1.2987 -0.1915 0.3547 0.0277 139 SER O OG ? ? 1 +20372 C C . SER M 136 0.7867 1.1900 1.2644 -0.1769 0.3244 0.0281 139 SER O C ? ? 1 +20373 O O . SER M 136 0.7830 1.1722 1.2475 -0.1763 0.3193 0.0311 139 SER O O ? ? 1 +20374 N N . THR M 137 0.7888 1.1934 1.2616 -0.1698 0.3227 0.0281 140 THR O N ? ? 1 +20375 C CA . THR M 137 0.7910 1.1808 1.2429 -0.1608 0.3141 0.0317 140 THR O CA ? ? 1 +20376 C CB . THR M 137 0.7943 1.1832 1.2390 -0.1550 0.3168 0.0314 140 THR O CB ? ? 1 +20377 O OG1 . THR M 137 0.8032 1.1877 1.2445 -0.1605 0.3314 0.0305 140 THR O OG1 ? ? 1 +20378 C CG2 . THR M 137 0.8121 1.1810 1.2306 -0.1471 0.3108 0.0353 140 THR O CG2 ? ? 1 +20379 C C . THR M 137 0.7681 1.1684 1.2304 -0.1560 0.2992 0.0315 140 THR O C ? ? 1 +20380 O O . THR M 137 0.7405 1.1627 1.2265 -0.1564 0.2948 0.0281 140 THR O O ? ? 1 +20381 N N . ASP M 138 0.7803 1.1645 1.2242 -0.1514 0.2914 0.0351 141 ASP O N ? ? 1 +20382 C CA . ASP M 138 0.7703 1.1621 1.2217 -0.1470 0.2776 0.0353 141 ASP O CA ? ? 1 +20383 C CB . ASP M 138 0.7999 1.1895 1.2553 -0.1530 0.2766 0.0358 141 ASP O CB ? ? 1 +20384 C CG . ASP M 138 0.8229 1.2323 1.3042 -0.1610 0.2817 0.0317 141 ASP O CG ? ? 1 +20385 O OD1 . ASP M 138 0.8339 1.2633 1.3346 -0.1593 0.2782 0.0286 141 ASP O OD1 ? ? 1 +20386 O OD2 . ASP M 138 0.8659 1.2700 1.3471 -0.1691 0.2899 0.0315 141 ASP O OD2 ? ? 1 +20387 C C . ASP M 138 0.7528 1.1304 1.1838 -0.1380 0.2692 0.0385 141 ASP O C ? ? 1 +20388 O O . ASP M 138 0.7722 1.1284 1.1794 -0.1369 0.2729 0.0417 141 ASP O O ? ? 1 +20389 N N . PHE M 139 0.7200 1.1096 1.1602 -0.1317 0.2580 0.0376 142 PHE O N ? ? 1 +20390 C CA . PHE M 139 0.7114 1.0901 1.1350 -0.1233 0.2487 0.0402 142 PHE O CA ? ? 1 +20391 C CB . PHE M 139 0.6921 1.0823 1.1226 -0.1172 0.2442 0.0383 142 PHE O CB ? ? 1 +20392 C CG . PHE M 139 0.6965 1.0814 1.1182 -0.1165 0.2533 0.0378 142 PHE O CG ? ? 1 +20393 C CD1 . PHE M 139 0.7100 1.0765 1.1075 -0.1112 0.2532 0.0404 142 PHE O CD1 ? ? 1 +20394 C CD2 . PHE M 139 0.6863 1.0851 1.1241 -0.1208 0.2619 0.0346 142 PHE O CD2 ? ? 1 +20395 C CE1 . PHE M 139 0.7212 1.0825 1.1101 -0.1103 0.2615 0.0399 142 PHE O CE1 ? ? 1 +20396 C CE2 . PHE M 139 0.6993 1.0933 1.1289 -0.1199 0.2704 0.0341 142 PHE O CE2 ? ? 1 +20397 C CZ . PHE M 139 0.7171 1.0922 1.1220 -0.1147 0.2703 0.0367 142 PHE O CZ ? ? 1 +20398 C C . PHE M 139 0.6968 1.0766 1.1231 -0.1213 0.2374 0.0413 142 PHE O C ? ? 1 +20399 O O . PHE M 139 0.6685 1.0659 1.1155 -0.1226 0.2321 0.0391 142 PHE O O ? ? 1 +20400 N N . LYS M 140 0.7202 1.0809 1.1252 -0.1179 0.2337 0.0448 143 LYS O N ? ? 1 +20401 C CA . LYS M 140 0.7191 1.0796 1.1242 -0.1144 0.2223 0.0461 143 LYS O CA ? ? 1 +20402 C CB . LYS M 140 0.7671 1.1139 1.1627 -0.1187 0.2248 0.0483 143 LYS O CB ? ? 1 +20403 C CG . LYS M 140 0.7981 1.1581 1.2139 -0.1267 0.2285 0.0460 143 LYS O CG ? ? 1 +20404 C CD . LYS M 140 0.8426 1.1914 1.2515 -0.1298 0.2272 0.0479 143 LYS O CD ? ? 1 +20405 C CE . LYS M 140 0.8524 1.2176 1.2820 -0.1318 0.2199 0.0460 143 LYS O CE ? ? 1 +20406 N NZ . LYS M 140 0.8631 1.2415 1.3118 -0.1405 0.2272 0.0428 143 LYS O NZ ? ? 1 +20407 C C . LYS M 140 0.6885 1.0398 1.0779 -0.1055 0.2139 0.0481 143 LYS O C ? ? 1 +20408 O O . LYS M 140 0.6902 1.0256 1.0596 -0.1029 0.2178 0.0499 143 LYS O O ? ? 1 +20409 N N . GLY M 141 0.6601 1.0217 1.0587 -0.1008 0.2023 0.0475 144 GLY O N ? ? 1 +20410 C CA . GLY M 141 0.6543 1.0102 1.0412 -0.0926 0.1938 0.0487 144 GLY O CA ? ? 1 +20411 C C . GLY M 141 0.6320 0.9953 1.0258 -0.0881 0.1810 0.0489 144 GLY O C ? ? 1 +20412 O O . GLY M 141 0.6132 0.9878 1.0227 -0.0910 0.1780 0.0478 144 GLY O O ? ? 1 +20413 N N . GLU M 142 0.6380 0.9944 1.0195 -0.0809 0.1738 0.0500 145 GLU O N ? ? 1 +20414 C CA . GLU M 142 0.6227 0.9849 1.0088 -0.0758 0.1616 0.0501 145 GLU O CA ? ? 1 +20415 C CB . GLU M 142 0.6672 1.0117 1.0327 -0.0713 0.1566 0.0532 145 GLU O CB ? ? 1 +20416 C CG . GLU M 142 0.7042 1.0390 1.0641 -0.0750 0.1591 0.0551 145 GLU O CG ? ? 1 +20417 C CD . GLU M 142 0.7478 1.0677 1.0900 -0.0693 0.1520 0.0578 145 GLU O CD ? ? 1 +20418 O OE1 . GLU M 142 0.7501 1.0706 1.0881 -0.0627 0.1435 0.0578 145 GLU O OE1 ? ? 1 +20419 O OE2 . GLU M 142 0.7972 1.1049 1.1298 -0.0716 0.1548 0.0597 145 GLU O OE2 ? ? 1 +20420 C C . GLU M 142 0.5861 0.9577 0.9774 -0.0707 0.1561 0.0484 145 GLU O C ? ? 1 +20421 O O . GLU M 142 0.5881 0.9537 0.9696 -0.0688 0.1600 0.0483 145 GLU O O ? ? 1 +20422 N N . PHE M 143 0.5487 0.9340 0.9543 -0.0684 0.1469 0.0472 146 PHE O N ? ? 1 +20423 C CA . PHE M 143 0.5266 0.9204 0.9372 -0.0634 0.1404 0.0457 146 PHE O CA ? ? 1 +20424 C CB . PHE M 143 0.5040 0.9162 0.9357 -0.0663 0.1431 0.0427 146 PHE O CB ? ? 1 +20425 C CG . PHE M 143 0.4844 0.9103 0.9354 -0.0709 0.1423 0.0417 146 PHE O CG ? ? 1 +20426 C CD1 . PHE M 143 0.4892 0.9149 0.9442 -0.0773 0.1506 0.0415 146 PHE O CD1 ? ? 1 +20427 C CD2 . PHE M 143 0.4657 0.9043 0.9303 -0.0688 0.1333 0.0407 146 PHE O CD2 ? ? 1 +20428 C CE1 . PHE M 143 0.4750 0.9133 0.9475 -0.0815 0.1496 0.0403 146 PHE O CE1 ? ? 1 +20429 C CE2 . PHE M 143 0.4522 0.9029 0.9337 -0.0728 0.1324 0.0397 146 PHE O CE2 ? ? 1 +20430 C CZ . PHE M 143 0.4555 0.9061 0.9409 -0.0791 0.1404 0.0394 146 PHE O CZ ? ? 1 +20431 C C . PHE M 143 0.5118 0.9086 0.9244 -0.0589 0.1287 0.0462 146 PHE O C ? ? 1 +20432 O O . PHE M 143 0.5105 0.9050 0.9233 -0.0600 0.1260 0.0475 146 PHE O O ? ? 1 +20433 N N . ASN M 144 0.5003 0.9019 0.9143 -0.0539 0.1219 0.0452 147 ASN O N ? ? 1 +20434 C CA . ASN M 144 0.4855 0.8917 0.9031 -0.0497 0.1109 0.0453 147 ASN O CA ? ? 1 +20435 C CB . ASN M 144 0.4945 0.8940 0.8998 -0.0434 0.1050 0.0454 147 ASN O CB ? ? 1 +20436 C CG . ASN M 144 0.5238 0.9035 0.9056 -0.0410 0.1070 0.0477 147 ASN O CG ? ? 1 +20437 O OD1 . ASN M 144 0.5392 0.9099 0.9131 -0.0418 0.1074 0.0497 147 ASN O OD1 ? ? 1 +20438 N ND2 . ASN M 144 0.5387 0.9106 0.9080 -0.0380 0.1085 0.0474 147 ASN O ND2 ? ? 1 +20439 C C . ASN M 144 0.4538 0.8795 0.8941 -0.0511 0.1070 0.0432 147 ASN O C ? ? 1 +20440 O O . ASN M 144 0.4462 0.8818 0.8974 -0.0528 0.1108 0.0412 147 ASN O O ? ? 1 +20441 N N . VAL M 145 0.4357 0.8664 0.8825 -0.0499 0.0995 0.0436 148 VAL O N ? ? 1 +20442 C CA . VAL M 145 0.4078 0.8558 0.8746 -0.0507 0.0948 0.0418 148 VAL O CA ? ? 1 +20443 C CB . VAL M 145 0.3992 0.8537 0.8775 -0.0554 0.0963 0.0419 148 VAL O CB ? ? 1 +20444 C CG1 . VAL M 145 0.3758 0.8480 0.8742 -0.0559 0.0915 0.0400 148 VAL O CG1 ? ? 1 +20445 C CG2 . VAL M 145 0.4104 0.8621 0.8886 -0.0610 0.1067 0.0418 148 VAL O CG2 ? ? 1 +20446 C C . VAL M 145 0.3934 0.8428 0.8590 -0.0453 0.0846 0.0419 148 VAL O C ? ? 1 +20447 O O . VAL M 145 0.3926 0.8400 0.8567 -0.0442 0.0794 0.0431 148 VAL O O ? ? 1 +20448 N N . PRO M 146 0.3837 0.8362 0.8494 -0.0420 0.0815 0.0406 149 PRO O N ? ? 1 +20449 C CA . PRO M 146 0.3726 0.8278 0.8388 -0.0374 0.0719 0.0403 149 PRO O CA ? ? 1 +20450 C CB . PRO M 146 0.3762 0.8312 0.8390 -0.0346 0.0716 0.0388 149 PRO O CB ? ? 1 +20451 C CG . PRO M 146 0.3772 0.8366 0.8462 -0.0383 0.0804 0.0377 149 PRO O CG ? ? 1 +20452 C CD . PRO M 146 0.3865 0.8400 0.8519 -0.0424 0.0872 0.0392 149 PRO O CD ? ? 1 +20453 C C . PRO M 146 0.3492 0.8193 0.8339 -0.0386 0.0671 0.0394 149 PRO O C ? ? 1 +20454 O O . PRO M 146 0.3443 0.8235 0.8417 -0.0426 0.0710 0.0386 149 PRO O O ? ? 1 +20455 N N . SER M 147 0.3368 0.8090 0.8223 -0.0352 0.0587 0.0395 150 SER O N ? ? 1 +20456 C CA . SER M 147 0.3149 0.8007 0.8166 -0.0356 0.0535 0.0385 150 SER O CA ? ? 1 +20457 C CB . SER M 147 0.3106 0.7965 0.8099 -0.0311 0.0446 0.0384 150 SER O CB ? ? 1 +20458 O OG . SER M 147 0.2930 0.7916 0.8075 -0.0315 0.0398 0.0375 150 SER O OG ? ? 1 +20459 C C . SER M 147 0.3012 0.7989 0.8168 -0.0374 0.0559 0.0365 150 SER O C ? ? 1 +20460 O O . SER M 147 0.3037 0.8004 0.8162 -0.0360 0.0574 0.0355 150 SER O O ? ? 1 +20461 N N . TYR M 148 0.2868 0.7955 0.8171 -0.0403 0.0559 0.0360 151 TYR O N ? ? 1 +20462 C CA . TYR M 148 0.2752 0.7962 0.8200 -0.0419 0.0575 0.0342 151 TYR O CA ? ? 1 +20463 C CB . TYR M 148 0.2631 0.7935 0.8212 -0.0449 0.0567 0.0341 151 TYR O CB ? ? 1 +20464 C CG . TYR M 148 0.2507 0.7947 0.8248 -0.0464 0.0574 0.0322 151 TYR O CG ? ? 1 +20465 C CD1 . TYR M 148 0.2520 0.7998 0.8316 -0.0494 0.0644 0.0311 151 TYR O CD1 ? ? 1 +20466 C CD2 . TYR M 148 0.2375 0.7906 0.8216 -0.0448 0.0511 0.0316 151 TYR O CD2 ? ? 1 +20467 C CE1 . TYR M 148 0.2402 0.8007 0.8346 -0.0504 0.0647 0.0293 151 TYR O CE1 ? ? 1 +20468 C CE2 . TYR M 148 0.2278 0.7927 0.8259 -0.0458 0.0515 0.0300 151 TYR O CE2 ? ? 1 +20469 C CZ . TYR M 148 0.2286 0.7973 0.8318 -0.0484 0.0581 0.0288 151 TYR O CZ ? ? 1 +20470 O OH . TYR M 148 0.2199 0.8004 0.8369 -0.0488 0.0576 0.0272 151 TYR O OH ? ? 1 +20471 C C . TYR M 148 0.2693 0.7951 0.8173 -0.0384 0.0522 0.0329 151 TYR O C ? ? 1 +20472 O O . TYR M 148 0.2701 0.7991 0.8211 -0.0382 0.0549 0.0314 151 TYR O O ? ? 1 +20473 N N A ARG M 149 0.2639 0.7901 0.8115 -0.0359 0.0447 0.0333 152 ARG O N ? ? 1 +20474 N N B ARG M 149 0.2640 0.7901 0.8115 -0.0359 0.0447 0.0333 152 ARG O N ? ? 1 +20475 C CA A ARG M 149 0.2601 0.7882 0.8078 -0.0325 0.0393 0.0323 152 ARG O CA ? ? 1 +20476 C CA B ARG M 149 0.2600 0.7881 0.8077 -0.0325 0.0393 0.0323 152 ARG O CA ? ? 1 +20477 C C A ARG M 149 0.2724 0.7883 0.8037 -0.0293 0.0374 0.0329 152 ARG O C ? ? 1 +20478 C C B ARG M 149 0.2725 0.7883 0.8037 -0.0293 0.0374 0.0329 152 ARG O C ? ? 1 +20479 O O A ARG M 149 0.2809 0.7887 0.8029 -0.0289 0.0371 0.0345 152 ARG O O ? ? 1 +20480 O O B ARG M 149 0.2811 0.7888 0.8030 -0.0289 0.0371 0.0345 152 ARG O O ? ? 1 +20481 C CB A ARG M 149 0.2476 0.7836 0.8048 -0.0317 0.0322 0.0323 152 ARG O CB ? ? 1 +20482 C CB B ARG M 149 0.2476 0.7836 0.8048 -0.0317 0.0322 0.0323 152 ARG O CB ? ? 1 +20483 C CG A ARG M 149 0.2358 0.7822 0.8072 -0.0348 0.0332 0.0322 152 ARG O CG ? ? 1 +20484 C CG B ARG M 149 0.2354 0.7820 0.8070 -0.0347 0.0331 0.0321 152 ARG O CG ? ? 1 +20485 C CD A ARG M 149 0.2282 0.7838 0.8106 -0.0358 0.0355 0.0305 152 ARG O CD ? ? 1 +20486 C CD B ARG M 149 0.2280 0.7835 0.8103 -0.0358 0.0356 0.0305 152 ARG O CD ? ? 1 +20487 N NE A ARG M 149 0.2157 0.7818 0.8118 -0.0377 0.0341 0.0303 152 ARG O NE ? ? 1 +20488 N NE B ARG M 149 0.2153 0.7814 0.8114 -0.0377 0.0343 0.0303 152 ARG O NE ? ? 1 +20489 C CZ A ARG M 149 0.2074 0.7828 0.8148 -0.0383 0.0350 0.0290 152 ARG O CZ ? ? 1 +20490 C CZ B ARG M 149 0.2066 0.7821 0.8140 -0.0383 0.0351 0.0289 152 ARG O CZ ? ? 1 +20491 N NH1 A ARG M 149 0.2112 0.7871 0.8187 -0.0380 0.0388 0.0277 152 ARG O NH1 ? ? 1 +20492 N NH1 B ARG M 149 0.2106 0.7866 0.8182 -0.0380 0.0391 0.0276 152 ARG O NH1 ? ? 1 +20493 N NH2 A ARG M 149 0.1961 0.7802 0.8145 -0.0392 0.0319 0.0288 152 ARG O NH2 ? ? 1 +20494 N NH2 B ARG M 149 0.1952 0.7794 0.8136 -0.0390 0.0319 0.0288 152 ARG O NH2 ? ? 1 +20495 N N . THR M 150 0.2742 0.7884 0.8017 -0.0269 0.0361 0.0316 153 THR O N ? ? 1 +20496 C CA . THR M 150 0.2852 0.7882 0.7972 -0.0236 0.0337 0.0318 153 THR O CA ? ? 1 +20497 C CB . THR M 150 0.2933 0.7915 0.7984 -0.0228 0.0381 0.0307 153 THR O CB ? ? 1 +20498 O OG1 . THR M 150 0.2841 0.7897 0.7973 -0.0218 0.0352 0.0288 153 THR O OG1 ? ? 1 +20499 C CG2 . THR M 150 0.2973 0.7951 0.8035 -0.0260 0.0473 0.0309 153 THR O CG2 ? ? 1 +20500 C C . THR M 150 0.2780 0.7836 0.7916 -0.0209 0.0249 0.0314 153 THR O C ? ? 1 +20501 O O . THR M 150 0.2638 0.7791 0.7898 -0.0217 0.0214 0.0311 153 THR O O ? ? 1 +20502 N N . ALA M 151 0.2872 0.7840 0.7881 -0.0176 0.0213 0.0312 154 ALA O N ? ? 1 +20503 C CA . ALA M 151 0.2834 0.7808 0.7837 -0.0150 0.0132 0.0311 154 ALA O CA ? ? 1 +20504 C CB . ALA M 151 0.2980 0.7842 0.7822 -0.0113 0.0104 0.0309 154 ALA O CB ? ? 1 +20505 C C . ALA M 151 0.2692 0.7774 0.7823 -0.0149 0.0080 0.0295 154 ALA O C ? ? 1 +20506 O O . ALA M 151 0.2640 0.7766 0.7822 -0.0143 0.0025 0.0297 154 ALA O O ? ? 1 +20507 N N A ASN M 152 0.2660 0.7780 0.7839 -0.0155 0.0100 0.0280 155 ASN O N ? ? 1 +20508 N N B ASN M 152 0.2661 0.7780 0.7839 -0.0155 0.0100 0.0280 155 ASN O N ? ? 1 +20509 C CA A ASN M 152 0.2544 0.7750 0.7828 -0.0154 0.0056 0.0264 155 ASN O CA ? ? 1 +20510 C CA B ASN M 152 0.2545 0.7750 0.7828 -0.0154 0.0056 0.0264 155 ASN O CA ? ? 1 +20511 C C A ASN M 152 0.2386 0.7706 0.7827 -0.0180 0.0059 0.0268 155 ASN O C ? ? 1 +20512 C C B ASN M 152 0.2386 0.7705 0.7826 -0.0179 0.0058 0.0267 155 ASN O C ? ? 1 +20513 O O A ASN M 152 0.2299 0.7689 0.7829 -0.0179 0.0020 0.0257 155 ASN O O ? ? 1 +20514 O O B ASN M 152 0.2302 0.7691 0.7830 -0.0179 0.0020 0.0257 155 ASN O O ? ? 1 +20515 C CB A ASN M 152 0.2584 0.7778 0.7851 -0.0148 0.0077 0.0247 155 ASN O CB ? ? 1 +20516 C CB B ASN M 152 0.2589 0.7781 0.7853 -0.0148 0.0077 0.0247 155 ASN O CB ? ? 1 +20517 C CG A ASN M 152 0.2713 0.7815 0.7846 -0.0118 0.0048 0.0236 155 ASN O CG ? ? 1 +20518 C CG B ASN M 152 0.2721 0.7821 0.7851 -0.0118 0.0049 0.0236 155 ASN O CG ? ? 1 +20519 O OD1 A ASN M 152 0.2781 0.7827 0.7830 -0.0099 0.0006 0.0240 155 ASN O OD1 ? ? 1 +20520 O OD1 B ASN M 152 0.2792 0.7834 0.7837 -0.0098 0.0007 0.0240 155 ASN O OD1 ? ? 1 +20521 N ND2 A ASN M 152 0.2753 0.7838 0.7864 -0.0112 0.0069 0.0220 155 ASN O ND2 ? ? 1 +20522 N ND2 B ASN M 152 0.2762 0.7845 0.7871 -0.0112 0.0070 0.0220 155 ASN O ND2 ? ? 1 +20523 N N A PHE M 153 0.2359 0.7694 0.7832 -0.0202 0.0105 0.0281 156 PHE O N ? ? 1 +20524 N N B PHE M 153 0.2358 0.7693 0.7831 -0.0202 0.0104 0.0281 156 PHE O N ? ? 1 +20525 C CA A PHE M 153 0.2221 0.7660 0.7837 -0.0227 0.0112 0.0283 156 PHE O CA ? ? 1 +20526 C CA B PHE M 153 0.2219 0.7659 0.7836 -0.0226 0.0111 0.0283 156 PHE O CA ? ? 1 +20527 C C A PHE M 153 0.2121 0.7613 0.7801 -0.0223 0.0050 0.0287 156 PHE O C ? ? 1 +20528 C C B PHE M 153 0.2118 0.7610 0.7798 -0.0223 0.0049 0.0287 156 PHE O C ? ? 1 +20529 O O A PHE M 153 0.2155 0.7608 0.7782 -0.0214 0.0026 0.0298 156 PHE O O ? ? 1 +20530 O O B PHE M 153 0.2153 0.7605 0.7779 -0.0214 0.0025 0.0297 156 PHE O O ? ? 1 +20531 C CB A PHE M 153 0.2235 0.7672 0.7863 -0.0253 0.0172 0.0296 156 PHE O CB ? ? 1 +20532 C CB B PHE M 153 0.2235 0.7673 0.7863 -0.0253 0.0170 0.0295 156 PHE O CB ? ? 1 +20533 C CG A PHE M 153 0.2116 0.7660 0.7889 -0.0278 0.0183 0.0295 156 PHE O CG ? ? 1 +20534 C CG B PHE M 153 0.2120 0.7665 0.7894 -0.0278 0.0182 0.0294 156 PHE O CG ? ? 1 +20535 C CD1 A PHE M 153 0.2081 0.7684 0.7929 -0.0288 0.0217 0.0282 156 PHE O CD1 ? ? 1 +20536 C CD1 B PHE M 153 0.2093 0.7693 0.7938 -0.0288 0.0217 0.0282 156 PHE O CD1 ? ? 1 +20537 C CD2 A PHE M 153 0.2047 0.7633 0.7879 -0.0289 0.0159 0.0305 156 PHE O CD2 ? ? 1 +20538 C CD2 B PHE M 153 0.2052 0.7640 0.7886 -0.0289 0.0157 0.0304 156 PHE O CD2 ? ? 1 +20539 C CE1 A PHE M 153 0.1973 0.7673 0.7951 -0.0308 0.0223 0.0281 156 PHE O CE1 ? ? 1 +20540 C CE1 B PHE M 153 0.1987 0.7686 0.7964 -0.0308 0.0224 0.0280 156 PHE O CE1 ? ? 1 +20541 C CE2 A PHE M 153 0.1941 0.7623 0.7900 -0.0311 0.0166 0.0303 156 PHE O CE2 ? ? 1 +20542 C CE2 B PHE M 153 0.1948 0.7631 0.7909 -0.0310 0.0165 0.0302 156 PHE O CE2 ? ? 1 +20543 C CZ A PHE M 153 0.1905 0.7643 0.7935 -0.0320 0.0197 0.0291 156 PHE O CZ ? ? 1 +20544 C CZ B PHE M 153 0.1915 0.7653 0.7946 -0.0319 0.0197 0.0290 156 PHE O CZ ? ? 1 +20545 N N A LEU M 154 0.2003 0.7583 0.7797 -0.0230 0.0028 0.0279 157 LEU O N ? ? 1 +20546 N N B LEU M 154 0.2000 0.7579 0.7793 -0.0229 0.0026 0.0278 157 LEU O N ? ? 1 +20547 C CA A LEU M 154 0.1907 0.7544 0.7771 -0.0228 -0.0026 0.0281 157 LEU O CA ? ? 1 +20548 C CA B LEU M 154 0.1904 0.7542 0.7768 -0.0228 -0.0027 0.0280 157 LEU O CA ? ? 1 +20549 C C A LEU M 154 0.1799 0.7514 0.7772 -0.0252 -0.0010 0.0289 157 LEU O C ? ? 1 +20550 C C B LEU M 154 0.1794 0.7509 0.7767 -0.0252 -0.0011 0.0289 157 LEU O C ? ? 1 +20551 O O A LEU M 154 0.1761 0.7526 0.7804 -0.0267 0.0021 0.0285 157 LEU O O ? ? 1 +20552 O O B LEU M 154 0.1759 0.7524 0.7803 -0.0266 0.0020 0.0284 157 LEU O O ? ? 1 +20553 C CB A LEU M 154 0.1866 0.7540 0.7774 -0.0219 -0.0064 0.0265 157 LEU O CB ? ? 1 +20554 C CB B LEU M 154 0.1862 0.7537 0.7771 -0.0219 -0.0065 0.0265 157 LEU O CB ? ? 1 +20555 C CG A LEU M 154 0.1962 0.7566 0.7770 -0.0196 -0.0089 0.0253 157 LEU O CG ? ? 1 +20556 C CG B LEU M 154 0.1954 0.7562 0.7767 -0.0196 -0.0093 0.0252 157 LEU O CG ? ? 1 +20557 C CD1 A LEU M 154 0.1920 0.7562 0.7780 -0.0193 -0.0121 0.0236 157 LEU O CD1 ? ? 1 +20558 C CD1 B LEU M 154 0.1908 0.7558 0.7778 -0.0193 -0.0131 0.0236 157 LEU O CD1 ? ? 1 +20559 C CD2 A LEU M 154 0.2010 0.7570 0.7748 -0.0179 -0.0132 0.0258 157 LEU O CD2 ? ? 1 +20560 C CD2 B LEU M 154 0.2008 0.7567 0.7744 -0.0179 -0.0132 0.0258 157 LEU O CD2 ? ? 1 +20561 N N A ASP M 155 0.1756 0.7481 0.7741 -0.0254 -0.0034 0.0300 158 ASP O N ? ? 1 +20562 N N B ASP M 155 0.1749 0.7474 0.7734 -0.0254 -0.0034 0.0300 158 ASP O N ? ? 1 +20563 C CA A ASP M 155 0.1652 0.7446 0.7733 -0.0275 -0.0024 0.0308 158 ASP O CA ? ? 1 +20564 C CA B ASP M 155 0.1641 0.7435 0.7722 -0.0275 -0.0024 0.0308 158 ASP O CA ? ? 1 +20565 C C A ASP M 155 0.1535 0.7411 0.7720 -0.0276 -0.0058 0.0300 158 ASP O C ? ? 1 +20566 C C B ASP M 155 0.1524 0.7400 0.7708 -0.0276 -0.0058 0.0300 158 ASP O C ? ? 1 +20567 O O A ASP M 155 0.1533 0.7408 0.7711 -0.0263 -0.0087 0.0290 158 ASP O O ? ? 1 +20568 O O B ASP M 155 0.1519 0.7394 0.7697 -0.0263 -0.0087 0.0290 158 ASP O O ? ? 1 +20569 C CB A ASP M 155 0.1670 0.7439 0.7722 -0.0276 -0.0035 0.0322 158 ASP O CB ? ? 1 +20570 C CB B ASP M 155 0.1660 0.7428 0.7711 -0.0275 -0.0035 0.0322 158 ASP O CB ? ? 1 +20571 C CG A ASP M 155 0.1647 0.7431 0.7707 -0.0258 -0.0094 0.0323 158 ASP O CG ? ? 1 +20572 C CG B ASP M 155 0.1639 0.7422 0.7698 -0.0258 -0.0094 0.0323 158 ASP O CG ? ? 1 +20573 O OD1 A ASP M 155 0.1605 0.7428 0.7707 -0.0249 -0.0129 0.0313 158 ASP O OD1 ? ? 1 +20574 O OD1 B ASP M 155 0.1597 0.7420 0.7699 -0.0249 -0.0129 0.0313 158 ASP O OD1 ? ? 1 +20575 O OD2 A ASP M 155 0.1669 0.7425 0.7696 -0.0253 -0.0103 0.0333 158 ASP O OD2 ? ? 1 +20576 O OD2 B ASP M 155 0.1659 0.7415 0.7685 -0.0253 -0.0103 0.0333 158 ASP O OD2 ? ? 1 +20577 N N A PRO M 156 0.1440 0.7385 0.7718 -0.0293 -0.0052 0.0305 159 PRO O N ? ? 1 +20578 N N B PRO M 156 0.1428 0.7374 0.7707 -0.0293 -0.0052 0.0304 159 PRO O N ? ? 1 +20579 C CA A PRO M 156 0.1347 0.7366 0.7720 -0.0295 -0.0076 0.0299 159 PRO O CA ? ? 1 +20580 C CA B PRO M 156 0.1338 0.7357 0.7711 -0.0295 -0.0076 0.0299 159 PRO O CA ? ? 1 +20581 C C A PRO M 156 0.1313 0.7346 0.7698 -0.0284 -0.0130 0.0298 159 PRO O C ? ? 1 +20582 C C B PRO M 156 0.1307 0.7340 0.7692 -0.0284 -0.0130 0.0298 159 PRO O C ? ? 1 +20583 O O A PRO M 156 0.1245 0.7326 0.7694 -0.0285 -0.0149 0.0292 159 PRO O O ? ? 1 +20584 O O B PRO M 156 0.1237 0.7317 0.7685 -0.0285 -0.0150 0.0292 159 PRO O O ? ? 1 +20585 C CB A PRO M 156 0.1280 0.7355 0.7730 -0.0315 -0.0057 0.0306 159 PRO O CB ? ? 1 +20586 C CB B PRO M 156 0.1271 0.7347 0.7722 -0.0315 -0.0057 0.0305 159 PRO O CB ? ? 1 +20587 C CG A PRO M 156 0.1341 0.7377 0.7746 -0.0328 -0.0011 0.0310 159 PRO O CG ? ? 1 +20588 C CG B PRO M 156 0.1331 0.7368 0.7738 -0.0327 -0.0011 0.0309 159 PRO O CG ? ? 1 +20589 C CD A PRO M 156 0.1434 0.7386 0.7729 -0.0313 -0.0018 0.0314 159 PRO O CD ? ? 1 +20590 C CD B PRO M 156 0.1423 0.7377 0.7721 -0.0313 -0.0018 0.0314 159 PRO O CD ? ? 1 +20591 N N . LYS M 157 0.1359 0.7352 0.7684 -0.0272 -0.0153 0.0303 160 LYS O N ? ? 1 +20592 C CA . LYS M 157 0.1347 0.7354 0.7681 -0.0260 -0.0203 0.0299 160 LYS O CA ? ? 1 +20593 C CB . LYS M 157 0.1313 0.7325 0.7647 -0.0256 -0.0222 0.0310 160 LYS O CB ? ? 1 +20594 C CG . LYS M 157 0.1218 0.7291 0.7637 -0.0273 -0.0212 0.0318 160 LYS O CG ? ? 1 +20595 C CD . LYS M 157 0.1139 0.7279 0.7647 -0.0282 -0.0227 0.0312 160 LYS O CD ? ? 1 +20596 C CE . LYS M 157 0.1129 0.7286 0.7650 -0.0271 -0.0272 0.0305 160 LYS O CE ? ? 1 +20597 N NZ . LYS M 157 0.1051 0.7270 0.7658 -0.0281 -0.0284 0.0303 160 LYS O NZ ? ? 1 +20598 C C . LYS M 157 0.1461 0.7412 0.7715 -0.0241 -0.0225 0.0288 160 LYS O C ? ? 1 +20599 O O . LYS M 157 0.1488 0.7443 0.7737 -0.0229 -0.0268 0.0283 160 LYS O O ? ? 1 +20600 N N . GLY M 158 0.1555 0.7456 0.7749 -0.0238 -0.0195 0.0284 161 GLY O N ? ? 1 +20601 C CA . GLY M 158 0.1661 0.7508 0.7778 -0.0221 -0.0214 0.0271 161 GLY O CA ? ? 1 +20602 C C . GLY M 158 0.1794 0.7565 0.7801 -0.0201 -0.0226 0.0275 161 GLY O C ? ? 1 +20603 O O . GLY M 158 0.1856 0.7583 0.7796 -0.0183 -0.0253 0.0264 161 GLY O O ? ? 1 +20604 N N . ARG M 159 0.1849 0.7601 0.7834 -0.0204 -0.0206 0.0290 162 ARG O N ? ? 1 +20605 C CA . ARG M 159 0.1970 0.7642 0.7843 -0.0184 -0.0213 0.0297 162 ARG O CA ? ? 1 +20606 C CB . ARG M 159 0.1951 0.7633 0.7841 -0.0185 -0.0216 0.0312 162 ARG O CB ? ? 1 +20607 C CG . ARG M 159 0.1866 0.7628 0.7850 -0.0185 -0.0259 0.0309 162 ARG O CG ? ? 1 +20608 C CD . ARG M 159 0.1847 0.7617 0.7848 -0.0189 -0.0254 0.0323 162 ARG O CD ? ? 1 +20609 N NE . ARG M 159 0.1786 0.7586 0.7844 -0.0217 -0.0208 0.0331 162 ARG O NE ? ? 1 +20610 C CZ . ARG M 159 0.1758 0.7582 0.7855 -0.0228 -0.0199 0.0342 162 ARG O CZ ? ? 1 +20611 N NH1 . ARG M 159 0.1761 0.7588 0.7855 -0.0212 -0.0232 0.0346 162 ARG O NH1 ? ? 1 +20612 N NH2 . ARG M 159 0.1730 0.7578 0.7873 -0.0255 -0.0157 0.0346 162 ARG O NH2 ? ? 1 +20613 C C . ARG M 159 0.2088 0.7681 0.7868 -0.0185 -0.0163 0.0301 162 ARG O C ? ? 1 +20614 O O . ARG M 159 0.2051 0.7661 0.7866 -0.0207 -0.0113 0.0304 162 ARG O O ? ? 1 +20615 N N . GLY M 160 0.2217 0.7724 0.7876 -0.0160 -0.0176 0.0299 163 GLY O N ? ? 1 +20616 C CA . GLY M 160 0.2346 0.7768 0.7903 -0.0160 -0.0127 0.0303 163 GLY O CA ? ? 1 +20617 C C . GLY M 160 0.2499 0.7819 0.7915 -0.0130 -0.0145 0.0308 163 GLY O C ? ? 1 +20618 O O . GLY M 160 0.2512 0.7834 0.7919 -0.0110 -0.0195 0.0309 163 GLY O O ? ? 1 +20619 N N . LEU M 161 0.2652 0.7884 0.7958 -0.0126 -0.0104 0.0310 164 LEU O N ? ? 1 +20620 C CA . LEU M 161 0.2814 0.7934 0.7969 -0.0097 -0.0114 0.0317 164 LEU O CA ? ? 1 +20621 C CB . LEU M 161 0.2926 0.7962 0.7994 -0.0111 -0.0040 0.0332 164 LEU O CB ? ? 1 +20622 C CG . LEU M 161 0.3106 0.8006 0.7997 -0.0083 -0.0037 0.0342 164 LEU O CG ? ? 1 +20623 C CD1 . LEU M 161 0.3121 0.8002 0.7977 -0.0051 -0.0102 0.0347 164 LEU O CD1 ? ? 1 +20624 C CD2 . LEU M 161 0.3176 0.8008 0.8008 -0.0105 0.0039 0.0359 164 LEU O CD2 ? ? 1 +20625 C C . LEU M 161 0.2887 0.7967 0.7968 -0.0069 -0.0154 0.0299 164 LEU O C ? ? 1 +20626 O O . LEU M 161 0.2937 0.8004 0.7983 -0.0041 -0.0215 0.0293 164 LEU O O ? ? 1 +20627 N N . ALA M 162 0.2912 0.7972 0.7969 -0.0076 -0.0119 0.0289 165 ALA O N ? ? 1 +20628 C CA . ALA M 162 0.2994 0.8008 0.7973 -0.0051 -0.0152 0.0271 165 ALA O CA ? ? 1 +20629 C CB . ALA M 162 0.3087 0.8025 0.7975 -0.0054 -0.0092 0.0270 165 ALA O CB ? ? 1 +20630 C C . ALA M 162 0.2911 0.8018 0.8003 -0.0057 -0.0196 0.0250 165 ALA O C ? ? 1 +20631 O O . ALA M 162 0.2966 0.8051 0.8015 -0.0039 -0.0234 0.0231 165 ALA O O ? ? 1 +20632 N N . SER M 163 0.2792 0.8000 0.8026 -0.0083 -0.0190 0.0254 166 SER O N ? ? 1 +20633 C CA . SER M 163 0.2714 0.8010 0.8061 -0.0091 -0.0227 0.0238 166 SER O CA ? ? 1 +20634 C CB . SER M 163 0.2705 0.8018 0.8088 -0.0107 -0.0188 0.0228 166 SER O CB ? ? 1 +20635 O OG . SER M 163 0.2645 0.8029 0.8121 -0.0113 -0.0226 0.0212 166 SER O OG ? ? 1 +20636 C C . SER M 163 0.2604 0.7992 0.8075 -0.0109 -0.0239 0.0248 166 SER O C ? ? 1 +20637 O O . SER M 163 0.2618 0.8001 0.8090 -0.0116 -0.0213 0.0266 166 SER O O ? ? 1 +20638 N N . GLY M 164 0.2520 0.7986 0.8091 -0.0116 -0.0279 0.0236 167 GLY O N ? ? 1 +20639 C CA . GLY M 164 0.2410 0.7964 0.8101 -0.0134 -0.0285 0.0245 167 GLY O CA ? ? 1 +20640 C C . GLY M 164 0.2419 0.8000 0.8129 -0.0119 -0.0343 0.0243 167 GLY O C ? ? 1 +20641 O O . GLY M 164 0.2539 0.8069 0.8165 -0.0093 -0.0380 0.0236 167 GLY O O ? ? 1 +20642 N N . TYR M 165 0.2316 0.7980 0.8138 -0.0135 -0.0350 0.0249 168 TYR O N ? ? 1 +20643 C CA . TYR M 165 0.2277 0.7976 0.8131 -0.0124 -0.0394 0.0250 168 TYR O CA ? ? 1 +20644 C CB . TYR M 165 0.2124 0.7918 0.8109 -0.0148 -0.0392 0.0255 168 TYR O CB ? ? 1 +20645 C CG . TYR M 165 0.2011 0.7859 0.8077 -0.0167 -0.0395 0.0242 168 TYR O CG ? ? 1 +20646 C CD1 . TYR M 165 0.2002 0.7860 0.8074 -0.0161 -0.0438 0.0222 168 TYR O CD1 ? ? 1 +20647 C CD2 . TYR M 165 0.1916 0.7806 0.8056 -0.0190 -0.0358 0.0250 168 TYR O CD2 ? ? 1 +20648 C CE1 . TYR M 165 0.1935 0.7836 0.8078 -0.0179 -0.0441 0.0211 168 TYR O CE1 ? ? 1 +20649 C CE2 . TYR M 165 0.1844 0.7777 0.8052 -0.0205 -0.0362 0.0239 168 TYR O CE2 ? ? 1 +20650 C CZ . TYR M 165 0.1861 0.7797 0.8069 -0.0200 -0.0402 0.0221 168 TYR O CZ ? ? 1 +20651 O OH . TYR M 165 0.1808 0.7778 0.8078 -0.0215 -0.0405 0.0211 168 TYR O OH ? ? 1 +20652 C C . TYR M 165 0.2346 0.7988 0.8122 -0.0108 -0.0385 0.0267 168 TYR O C ? ? 1 +20653 O O . TYR M 165 0.2335 0.7935 0.8072 -0.0117 -0.0335 0.0281 168 TYR O O ? ? 1 +20654 N N . ASP M 166 0.2359 0.8003 0.8118 -0.0083 -0.0432 0.0265 169 ASP O N ? ? 1 +20655 C CA . ASP M 166 0.2406 0.7991 0.8087 -0.0063 -0.0428 0.0280 169 ASP O CA ? ? 1 +20656 C CB . ASP M 166 0.2548 0.8066 0.8120 -0.0024 -0.0473 0.0271 169 ASP O CB ? ? 1 +20657 C CG . ASP M 166 0.2554 0.8131 0.8175 -0.0003 -0.0542 0.0254 169 ASP O CG ? ? 1 +20658 O OD1 . ASP M 166 0.2470 0.8144 0.8216 -0.0023 -0.0555 0.0247 169 ASP O OD1 ? ? 1 +20659 O OD2 . ASP M 166 0.2656 0.8183 0.8191 0.0032 -0.0582 0.0247 169 ASP O OD2 ? ? 1 +20660 C C . ASP M 166 0.2304 0.7949 0.8066 -0.0068 -0.0436 0.0290 169 ASP O C ? ? 1 +20661 O O . ASP M 166 0.2411 0.8017 0.8119 -0.0046 -0.0445 0.0300 169 ASP O O ? ? 1 +20662 N N . SER M 167 0.2143 0.7879 0.8029 -0.0095 -0.0430 0.0288 170 SER O N ? ? 1 +20663 C CA . SER M 167 0.2033 0.7830 0.7999 -0.0100 -0.0438 0.0295 170 SER O CA ? ? 1 +20664 C CB . SER M 167 0.2031 0.7874 0.8031 -0.0077 -0.0498 0.0282 170 SER O CB ? ? 1 +20665 O OG . SER M 167 0.1977 0.7877 0.8043 -0.0089 -0.0521 0.0263 170 SER O OG ? ? 1 +20666 C C . SER M 167 0.1875 0.7747 0.7953 -0.0134 -0.0411 0.0298 170 SER O C ? ? 1 +20667 O O . SER M 167 0.1888 0.7767 0.7983 -0.0151 -0.0391 0.0292 170 SER O O ? ? 1 +20668 N N . ALA M 168 0.1756 0.7678 0.7901 -0.0142 -0.0410 0.0306 171 ALA O N ? ? 1 +20669 C CA . ALA M 168 0.1614 0.7607 0.7862 -0.0171 -0.0389 0.0309 171 ALA O CA ? ? 1 +20670 C CB . ALA M 168 0.1563 0.7569 0.7837 -0.0177 -0.0371 0.0324 171 ALA O CB ? ? 1 +20671 C C . ALA M 168 0.1538 0.7604 0.7870 -0.0174 -0.0424 0.0295 171 ALA O C ? ? 1 +20672 O O . ALA M 168 0.1508 0.7625 0.7897 -0.0171 -0.0444 0.0296 171 ALA O O ? ? 1 +20673 N N . ILE M 169 0.1532 0.7603 0.7873 -0.0182 -0.0429 0.0283 172 ILE O N ? ? 1 +20674 C CA . ILE M 169 0.1476 0.7605 0.7885 -0.0187 -0.0463 0.0267 172 ILE O CA ? ? 1 +20675 C CB . ILE M 169 0.1493 0.7599 0.7879 -0.0192 -0.0466 0.0253 172 ILE O CB ? ? 1 +20676 C CG1 . ILE M 169 0.1443 0.7549 0.7853 -0.0214 -0.0422 0.0259 172 ILE O CG1 ? ? 1 +20677 C CG2 . ILE M 169 0.1597 0.7627 0.7872 -0.0168 -0.0479 0.0247 172 ILE O CG2 ? ? 1 +20678 C CD1 . ILE M 169 0.1445 0.7546 0.7859 -0.0222 -0.0428 0.0244 172 ILE O CD1 ? ? 1 +20679 C C . ILE M 169 0.1394 0.7597 0.7908 -0.0209 -0.0455 0.0272 172 ILE O C ? ? 1 +20680 O O . ILE M 169 0.1426 0.7680 0.7998 -0.0212 -0.0483 0.0262 172 ILE O O ? ? 1 +20681 N N . ALA M 170 0.1354 0.7562 0.7889 -0.0224 -0.0417 0.0286 173 ALA O N ? ? 1 +20682 C CA . ALA M 170 0.1263 0.7534 0.7886 -0.0242 -0.0408 0.0292 173 ALA O CA ? ? 1 +20683 C CB . ALA M 170 0.1218 0.7484 0.7851 -0.0258 -0.0366 0.0304 173 ALA O CB ? ? 1 +20684 C C . ALA M 170 0.1252 0.7554 0.7903 -0.0234 -0.0422 0.0298 173 ALA O C ? ? 1 +20685 O O . ALA M 170 0.1179 0.7535 0.7902 -0.0246 -0.0421 0.0301 173 ALA O O ? ? 1 +20686 N N . LEU M 171 0.1346 0.7610 0.7936 -0.0212 -0.0432 0.0301 174 LEU O N ? ? 1 +20687 C CA . LEU M 171 0.1392 0.7677 0.7997 -0.0199 -0.0446 0.0306 174 LEU O CA ? ? 1 +20688 C CB . LEU M 171 0.1443 0.7680 0.7995 -0.0194 -0.0420 0.0321 174 LEU O CB ? ? 1 +20689 C CG . LEU M 171 0.1429 0.7668 0.8004 -0.0220 -0.0378 0.0331 174 LEU O CG ? ? 1 +20690 C CD1 . LEU M 171 0.1483 0.7663 0.7994 -0.0219 -0.0350 0.0342 174 LEU O CD1 ? ? 1 +20691 C CD2 . LEU M 171 0.1355 0.7660 0.8017 -0.0236 -0.0375 0.0334 174 LEU O CD2 ? ? 1 +20692 C C . LEU M 171 0.1481 0.7765 0.8063 -0.0172 -0.0489 0.0293 174 LEU O C ? ? 1 +20693 O O . LEU M 171 0.1546 0.7782 0.8058 -0.0147 -0.0499 0.0296 174 LEU O O ? ? 1 +20694 N N . PRO M 172 0.1495 0.7830 0.8132 -0.0177 -0.0517 0.0277 175 PRO O N ? ? 1 +20695 C CA . PRO M 172 0.1604 0.7942 0.8222 -0.0153 -0.0561 0.0260 175 PRO O CA ? ? 1 +20696 C CB . PRO M 172 0.1532 0.7946 0.8246 -0.0172 -0.0578 0.0246 175 PRO O CB ? ? 1 +20697 C CG . PRO M 172 0.1478 0.7896 0.8224 -0.0204 -0.0543 0.0254 175 PRO O CG ? ? 1 +20698 C CD . PRO M 172 0.1424 0.7813 0.8144 -0.0205 -0.0507 0.0274 175 PRO O CD ? ? 1 +20699 C C . PRO M 172 0.1698 0.8032 0.8291 -0.0121 -0.0583 0.0262 175 PRO O C ? ? 1 +20700 O O . PRO M 172 0.1786 0.8082 0.8313 -0.0093 -0.0612 0.0254 175 PRO O O ? ? 1 +20701 N N . GLN M 173 0.1746 0.8117 0.8387 -0.0123 -0.0572 0.0272 176 GLN O N ? ? 1 +20702 C CA . GLN M 173 0.1903 0.8279 0.8532 -0.0090 -0.0594 0.0271 176 GLN O CA ? ? 1 +20703 C CB . GLN M 173 0.1812 0.8281 0.8542 -0.0092 -0.0614 0.0259 176 GLN O CB ? ? 1 +20704 C CG . GLN M 173 0.1771 0.8284 0.8540 -0.0092 -0.0652 0.0236 176 GLN O CG ? ? 1 +20705 C CD . GLN M 173 0.1846 0.8346 0.8569 -0.0050 -0.0696 0.0223 176 GLN O CD ? ? 1 +20706 O OE1 . GLN M 173 0.1895 0.8317 0.8518 -0.0027 -0.0702 0.0228 176 GLN O OE1 ? ? 1 +20707 N NE2 . GLN M 173 0.1819 0.8396 0.8616 -0.0039 -0.0729 0.0204 176 GLN O NE2 ? ? 1 +20708 C C . GLN M 173 0.2101 0.8430 0.8685 -0.0084 -0.0563 0.0292 176 GLN O C ? ? 1 +20709 O O . GLN M 173 0.2167 0.8512 0.8761 -0.0065 -0.0571 0.0295 176 GLN O O ? ? 1 +20710 N N . ALA M 174 0.2323 0.8595 0.8856 -0.0101 -0.0528 0.0304 177 ALA O N ? ? 1 +20711 C CA . ALA M 174 0.2545 0.8756 0.9017 -0.0095 -0.0502 0.0321 177 ALA O CA ? ? 1 +20712 C CB . ALA M 174 0.2508 0.8685 0.8961 -0.0126 -0.0459 0.0332 177 ALA O CB ? ? 1 +20713 C C . ALA M 174 0.2894 0.9032 0.9264 -0.0058 -0.0522 0.0322 177 ALA O C ? ? 1 +20714 O O . ALA M 174 0.2952 0.9070 0.9283 -0.0043 -0.0548 0.0311 177 ALA O O ? ? 1 +20715 N N . LYS M 175 0.3270 0.9364 0.9594 -0.0042 -0.0511 0.0334 178 LYS O N ? ? 1 +20716 C CA . LYS M 175 0.3676 0.9682 0.9888 -0.0007 -0.0524 0.0338 178 LYS O CA ? ? 1 +20717 C CB . LYS M 175 0.3846 0.9821 1.0030 0.0012 -0.0516 0.0350 178 LYS O CB ? ? 1 +20718 C CG . LYS M 175 0.4012 1.0054 1.0256 0.0041 -0.0554 0.0339 178 LYS O CG ? ? 1 +20719 C CD . LYS M 175 0.4256 1.0251 1.0449 0.0073 -0.0555 0.0348 178 LYS O CD ? ? 1 +20720 C CE . LYS M 175 0.4349 1.0391 1.0568 0.0119 -0.0605 0.0334 178 LYS O CE ? ? 1 +20721 N NZ . LYS M 175 0.4218 1.0382 1.0568 0.0104 -0.0620 0.0318 178 LYS O NZ ? ? 1 +20722 C C . LYS M 175 0.3930 0.9853 1.0054 -0.0020 -0.0494 0.0346 178 LYS O C ? ? 1 +20723 O O . LYS M 175 0.4016 0.9914 1.0135 -0.0050 -0.0450 0.0358 178 LYS O O ? ? 1 +20724 N N A GLU M 176 0.4198 1.0078 1.0253 0.0003 -0.0519 0.0338 179 GLU O N ? ? 1 +20725 N N B GLU M 176 0.4076 0.9956 1.0131 0.0002 -0.0519 0.0338 179 GLU O N ? ? 1 +20726 C CA A GLU M 176 0.4437 1.0240 1.0407 -0.0008 -0.0494 0.0343 179 GLU O CA ? ? 1 +20727 C CA B GLU M 176 0.4219 1.0023 1.0190 -0.0008 -0.0493 0.0343 179 GLU O CA ? ? 1 +20728 C C A GLU M 176 0.4643 1.0344 1.0511 -0.0005 -0.0456 0.0362 179 GLU O C ? ? 1 +20729 C C B GLU M 176 0.4516 1.0217 1.0384 -0.0006 -0.0456 0.0362 179 GLU O C ? ? 1 +20730 O O A GLU M 176 0.4720 1.0379 1.0557 -0.0033 -0.0413 0.0370 179 GLU O O ? ? 1 +20731 O O B GLU M 176 0.4602 1.0260 1.0438 -0.0033 -0.0413 0.0370 179 GLU O O ? ? 1 +20732 C CB A GLU M 176 0.4611 1.0388 1.0522 0.0023 -0.0536 0.0329 179 GLU O CB ? ? 1 +20733 C CB B GLU M 176 0.4222 0.9997 1.0131 0.0020 -0.0532 0.0330 179 GLU O CB ? ? 1 +20734 C CG A GLU M 176 0.4603 1.0475 1.0609 0.0018 -0.0573 0.0308 179 GLU O CG ? ? 1 +20735 C CG B GLU M 176 0.4071 0.9925 1.0063 0.0007 -0.0557 0.0311 179 GLU O CG ? ? 1 +20736 C CD A GLU M 176 0.4813 1.0674 1.0773 0.0058 -0.0629 0.0291 179 GLU O CD ? ? 1 +20737 C CD B GLU M 176 0.4091 0.9891 1.0002 0.0019 -0.0573 0.0301 179 GLU O CD ? ? 1 +20738 O OE1 A GLU M 176 0.4978 1.0761 1.0835 0.0094 -0.0642 0.0298 179 GLU O OE1 ? ? 1 +20739 O OE1 B GLU M 176 0.4095 0.9836 0.9915 0.0058 -0.0604 0.0298 179 GLU O OE1 ? ? 1 +20740 O OE2 A GLU M 176 0.4951 1.0878 1.0976 0.0053 -0.0661 0.0271 179 GLU O OE2 ? ? 1 +20741 O OE2 B GLU M 176 0.4061 0.9871 0.9993 -0.0008 -0.0554 0.0295 179 GLU O OE2 ? ? 1 +20742 N N . GLU M 177 0.4845 1.0507 1.0665 0.0027 -0.0473 0.0368 180 GLU O N ? ? 1 +20743 C CA . GLU M 177 0.5178 1.0729 1.0886 0.0034 -0.0443 0.0386 180 GLU O CA ? ? 1 +20744 C CB . GLU M 177 0.5664 1.1188 1.1339 0.0074 -0.0468 0.0390 180 GLU O CB ? ? 1 +20745 C CG . GLU M 177 0.6293 1.1845 1.1965 0.0123 -0.0531 0.0376 180 GLU O CG ? ? 1 +20746 C CD . GLU M 177 0.6842 1.2525 1.2652 0.0123 -0.0563 0.0360 180 GLU O CD ? ? 1 +20747 O OE1 . GLU M 177 0.7325 1.3051 1.3203 0.0108 -0.0546 0.0365 180 GLU O OE1 ? ? 1 +20748 O OE2 . GLU M 177 0.7469 1.3207 1.3316 0.0137 -0.0604 0.0343 180 GLU O OE2 ? ? 1 +20749 C C . GLU M 177 0.4993 1.0531 1.0721 -0.0011 -0.0384 0.0398 180 GLU O C ? ? 1 +20750 O O . GLU M 177 0.4888 1.0335 1.0527 -0.0022 -0.0346 0.0409 180 GLU O O ? ? 1 +20751 N N . GLU M 178 0.5022 1.0653 1.0868 -0.0038 -0.0376 0.0394 181 GLU O N ? ? 1 +20752 C CA . GLU M 178 0.5138 1.0770 1.1016 -0.0080 -0.0327 0.0403 181 GLU O CA ? ? 1 +20753 C CB . GLU M 178 0.5857 1.1588 1.1855 -0.0094 -0.0335 0.0399 181 GLU O CB ? ? 1 +20754 C CG . GLU M 178 0.6669 1.2410 1.2668 -0.0057 -0.0371 0.0398 181 GLU O CG ? ? 1 +20755 C CD . GLU M 178 0.7289 1.3132 1.3403 -0.0064 -0.0384 0.0391 181 GLU O CD ? ? 1 +20756 O OE1 . GLU M 178 0.7878 1.3776 1.4067 -0.0101 -0.0362 0.0390 181 GLU O OE1 ? ? 1 +20757 O OE2 . GLU M 178 0.7751 1.3617 1.3879 -0.0032 -0.0416 0.0387 181 GLU O OE2 ? ? 1 +20758 C C . GLU M 178 0.4515 1.0151 1.0404 -0.0115 -0.0292 0.0401 181 GLU O C ? ? 1 +20759 O O . GLU M 178 0.4260 0.9878 1.0153 -0.0147 -0.0248 0.0408 181 GLU O O ? ? 1 +20760 N N . LEU M 179 0.3988 0.9646 0.9882 -0.0106 -0.0314 0.0391 182 LEU O N ? ? 1 +20761 C CA . LEU M 179 0.3619 0.9289 0.9530 -0.0134 -0.0286 0.0386 182 LEU O CA ? ? 1 +20762 C CB . LEU M 179 0.3439 0.9207 0.9451 -0.0138 -0.0316 0.0372 182 LEU O CB ? ? 1 +20763 C CG . LEU M 179 0.3284 0.9143 0.9411 -0.0155 -0.0319 0.0371 182 LEU O CG ? ? 1 +20764 C CD1 . LEU M 179 0.3161 0.9102 0.9372 -0.0157 -0.0348 0.0357 182 LEU O CD1 ? ? 1 +20765 C CD2 . LEU M 179 0.3257 0.9129 0.9423 -0.0193 -0.0272 0.0377 182 LEU O CD2 ? ? 1 +20766 C C . LEU M 179 0.3576 0.9156 0.9372 -0.0120 -0.0278 0.0387 182 LEU O C ? ? 1 +20767 O O . LEU M 179 0.3429 0.9013 0.9229 -0.0137 -0.0258 0.0382 182 LEU O O ? ? 1 +20768 N N . ALA M 180 0.3621 0.9115 0.9310 -0.0088 -0.0291 0.0394 183 ALA O N ? ? 1 +20769 C CA . ALA M 180 0.3769 0.9170 0.9337 -0.0068 -0.0289 0.0395 183 ALA O CA ? ? 1 +20770 C CB . ALA M 180 0.3804 0.9115 0.9259 -0.0027 -0.0312 0.0404 183 ALA O CB ? ? 1 +20771 C C . ALA M 180 0.3825 0.9171 0.9347 -0.0101 -0.0227 0.0403 183 ALA O C ? ? 1 +20772 O O . ALA M 180 0.3851 0.9161 0.9320 -0.0098 -0.0218 0.0398 183 ALA O O ? ? 1 +20773 N N . ARG M 181 0.3910 0.9251 0.9456 -0.0131 -0.0183 0.0413 184 ARG O N ? ? 1 +20774 C CA . ARG M 181 0.4112 0.9402 0.9618 -0.0163 -0.0121 0.0418 184 ARG O CA ? ? 1 +20775 C CB . ARG M 181 0.4524 0.9797 1.0045 -0.0193 -0.0080 0.0429 184 ARG O CB ? ? 1 +20776 C CG . ARG M 181 0.5126 1.0325 1.0581 -0.0223 -0.0015 0.0436 184 ARG O CG ? ? 1 +20777 C CD . ARG M 181 0.5713 1.0874 1.1160 -0.0252 0.0026 0.0445 184 ARG O CD ? ? 1 +20778 N NE . ARG M 181 0.6274 1.1375 1.1670 -0.0284 0.0091 0.0449 184 ARG O NE ? ? 1 +20779 C CZ . ARG M 181 0.6869 1.1909 1.2228 -0.0314 0.0139 0.0458 184 ARG O CZ ? ? 1 +20780 N NH1 . ARG M 181 0.7209 1.2243 1.2582 -0.0318 0.0130 0.0463 184 ARG O NH1 ? ? 1 +20781 N NH2 . ARG M 181 0.7135 1.2117 1.2441 -0.0342 0.0199 0.0460 184 ARG O NH2 ? ? 1 +20782 C C . ARG M 181 0.3704 0.9067 0.9292 -0.0190 -0.0103 0.0407 184 ARG O C ? ? 1 +20783 O O . ARG M 181 0.3822 0.9142 0.9364 -0.0205 -0.0061 0.0407 184 ARG O O ? ? 1 +20784 N N . ALA M 182 0.3321 0.8792 0.9028 -0.0194 -0.0134 0.0396 185 ALA O N ? ? 1 +20785 C CA . ALA M 182 0.3051 0.8594 0.8840 -0.0214 -0.0123 0.0385 185 ALA O CA ? ? 1 +20786 C CB . ALA M 182 0.2868 0.8516 0.8789 -0.0233 -0.0133 0.0381 185 ALA O CB ? ? 1 +20787 C C . ALA M 182 0.2985 0.8533 0.8754 -0.0190 -0.0160 0.0372 185 ALA O C ? ? 1 +20788 O O . ALA M 182 0.2892 0.8461 0.8684 -0.0202 -0.0143 0.0364 185 ALA O O ? ? 1 +20789 N N . ASN M 183 0.2964 0.8495 0.8693 -0.0156 -0.0210 0.0370 186 ASN O N ? ? 1 +20790 C CA . ASN M 183 0.2936 0.8474 0.8650 -0.0133 -0.0251 0.0356 186 ASN O CA ? ? 1 +20791 C CB . ASN M 183 0.2854 0.8426 0.8589 -0.0104 -0.0312 0.0350 186 ASN O CB ? ? 1 +20792 C CG . ASN M 183 0.2674 0.8354 0.8544 -0.0120 -0.0328 0.0345 186 ASN O CG ? ? 1 +20793 O OD1 . ASN M 183 0.2566 0.8305 0.8517 -0.0148 -0.0308 0.0342 186 ASN O OD1 ? ? 1 +20794 N ND2 . ASN M 183 0.2685 0.8394 0.8579 -0.0101 -0.0365 0.0345 186 ASN O ND2 ? ? 1 +20795 C C . ASN M 183 0.3082 0.8517 0.8661 -0.0115 -0.0241 0.0357 186 ASN O C ? ? 1 +20796 O O . ASN M 183 0.3232 0.8666 0.8797 -0.0110 -0.0250 0.0344 186 ASN O O ? ? 1 +20797 N N . VAL M 184 0.3123 0.8465 0.8598 -0.0104 -0.0221 0.0371 187 VAL O N ? ? 1 +20798 C CA . VAL M 184 0.3216 0.8447 0.8547 -0.0082 -0.0212 0.0374 187 VAL O CA ? ? 1 +20799 C CB . VAL M 184 0.3289 0.8438 0.8514 -0.0045 -0.0240 0.0384 187 VAL O CB ? ? 1 +20800 C CG1 . VAL M 184 0.3458 0.8486 0.8524 -0.0020 -0.0232 0.0387 187 VAL O CG1 ? ? 1 +20801 C CG2 . VAL M 184 0.3207 0.8421 0.8487 -0.0015 -0.0311 0.0373 187 VAL O CG2 ? ? 1 +20802 C C . VAL M 184 0.3237 0.8417 0.8528 -0.0113 -0.0139 0.0382 187 VAL O C ? ? 1 +20803 O O . VAL M 184 0.3291 0.8430 0.8557 -0.0129 -0.0100 0.0396 187 VAL O O ? ? 1 +20804 N N . LYS M 185 0.3225 0.8410 0.8515 -0.0122 -0.0120 0.0371 188 LYS O N ? ? 1 +20805 C CA . LYS M 185 0.3214 0.8364 0.8479 -0.0151 -0.0050 0.0376 188 LYS O CA ? ? 1 +20806 C CB . LYS M 185 0.3070 0.8269 0.8386 -0.0161 -0.0040 0.0360 188 LYS O CB ? ? 1 +20807 C CG . LYS M 185 0.2843 0.8166 0.8308 -0.0173 -0.0071 0.0348 188 LYS O CG ? ? 1 +20808 C CD . LYS M 185 0.2691 0.8084 0.8261 -0.0199 -0.0057 0.0356 188 LYS O CD ? ? 1 +20809 C CE . LYS M 185 0.2506 0.8014 0.8215 -0.0212 -0.0079 0.0345 188 LYS O CE ? ? 1 +20810 N NZ . LYS M 185 0.2387 0.7960 0.8192 -0.0236 -0.0067 0.0352 188 LYS O NZ ? ? 1 +20811 C C . LYS M 185 0.3508 0.8520 0.8606 -0.0134 -0.0025 0.0388 188 LYS O C ? ? 1 +20812 O O . LYS M 185 0.3623 0.8573 0.8623 -0.0097 -0.0064 0.0385 188 LYS O O ? ? 1 +20813 N N . ARG M 186 0.3735 0.8698 0.8800 -0.0162 0.0041 0.0400 189 ARG O N ? ? 1 +20814 C CA . ARG M 186 0.4059 0.8884 0.8963 -0.0152 0.0078 0.0413 189 ARG O CA ? ? 1 +20815 C CB . ARG M 186 0.4350 0.9114 0.9207 -0.0154 0.0089 0.0431 189 ARG O CB ? ? 1 +20816 C CG . ARG M 186 0.4635 0.9403 0.9482 -0.0115 0.0017 0.0433 189 ARG O CG ? ? 1 +20817 C CD . ARG M 186 0.4978 0.9683 0.9777 -0.0117 0.0031 0.0451 189 ARG O CD ? ? 1 +20818 N NE . ARG M 186 0.5179 0.9975 1.0113 -0.0154 0.0047 0.0451 189 ARG O NE ? ? 1 +20819 C CZ . ARG M 186 0.5628 1.0379 1.0542 -0.0173 0.0080 0.0464 189 ARG O CZ ? ? 1 +20820 N NH1 . ARG M 186 0.5934 1.0548 1.0700 -0.0158 0.0099 0.0480 189 ARG O NH1 ? ? 1 +20821 N NH2 . ARG M 186 0.5650 1.0491 1.0691 -0.0207 0.0092 0.0461 189 ARG O NH2 ? ? 1 +20822 C C . ARG M 186 0.4036 0.8841 0.8930 -0.0185 0.0154 0.0412 189 ARG O C ? ? 1 +20823 O O . ARG M 186 0.3916 0.8802 0.8925 -0.0223 0.0190 0.0408 189 ARG O O ? ? 1 +20824 N N . PHE M 187 0.4101 0.8799 0.8855 -0.0168 0.0177 0.0414 190 PHE O N ? ? 1 +20825 C CA . PHE M 187 0.4094 0.8763 0.8821 -0.0194 0.0250 0.0412 190 PHE O CA ? ? 1 +20826 C CB . PHE M 187 0.4139 0.8763 0.8780 -0.0165 0.0236 0.0400 190 PHE O CB ? ? 1 +20827 C CG . PHE M 187 0.4135 0.8757 0.8776 -0.0188 0.0304 0.0392 190 PHE O CG ? ? 1 +20828 C CD1 . PHE M 187 0.4257 0.8783 0.8800 -0.0207 0.0381 0.0404 190 PHE O CD1 ? ? 1 +20829 C CD2 . PHE M 187 0.4009 0.8722 0.8746 -0.0190 0.0293 0.0372 190 PHE O CD2 ? ? 1 +20830 C CE1 . PHE M 187 0.4279 0.8811 0.8829 -0.0227 0.0446 0.0395 190 PHE O CE1 ? ? 1 +20831 C CE2 . PHE M 187 0.4047 0.8760 0.8785 -0.0207 0.0356 0.0364 190 PHE O CE2 ? ? 1 +20832 C CZ . PHE M 187 0.4165 0.8791 0.8813 -0.0226 0.0432 0.0374 190 PHE O CZ ? ? 1 +20833 C C . PHE M 187 0.4249 0.8802 0.8864 -0.0211 0.0312 0.0431 190 PHE O C ? ? 1 +20834 O O . PHE M 187 0.4327 0.8755 0.8785 -0.0181 0.0304 0.0443 190 PHE O O ? ? 1 +20835 N N . SER M 188 0.4307 0.8901 0.9002 -0.0258 0.0372 0.0434 191 SER O N ? ? 1 +20836 C CA . SER M 188 0.4488 0.8974 0.9085 -0.0280 0.0436 0.0451 191 SER O CA ? ? 1 +20837 C CB . SER M 188 0.4494 0.9044 0.9204 -0.0325 0.0464 0.0454 191 SER O CB ? ? 1 +20838 O OG . SER M 188 0.4481 0.9152 0.9338 -0.0362 0.0498 0.0438 191 SER O OG ? ? 1 +20839 C C . SER M 188 0.4569 0.8992 0.9090 -0.0297 0.0510 0.0449 191 SER O C ? ? 1 +20840 O O . SER M 188 0.4572 0.9069 0.9166 -0.0305 0.0525 0.0433 191 SER O O ? ? 1 +20841 N N . LEU M 189 0.4727 0.9006 0.9094 -0.0299 0.0557 0.0467 192 LEU O N ? ? 1 +20842 C CA . LEU M 189 0.4855 0.9064 0.9145 -0.0322 0.0642 0.0468 192 LEU O CA ? ? 1 +20843 C CB . LEU M 189 0.5033 0.9130 0.9157 -0.0276 0.0628 0.0470 192 LEU O CB ? ? 1 +20844 C CG . LEU M 189 0.5275 0.9248 0.9258 -0.0290 0.0715 0.0478 192 LEU O CG ? ? 1 +20845 C CD1 . LEU M 189 0.5209 0.9258 0.9270 -0.0311 0.0764 0.0458 192 LEU O CD1 ? ? 1 +20846 C CD2 . LEU M 189 0.5511 0.9327 0.9282 -0.0238 0.0686 0.0490 192 LEU O CD2 ? ? 1 +20847 C C . LEU M 189 0.4937 0.9053 0.9161 -0.0357 0.0705 0.0487 192 LEU O C ? ? 1 +20848 O O . LEU M 189 0.5073 0.9062 0.9153 -0.0332 0.0691 0.0505 192 LEU O O ? ? 1 +20849 N N . THR M 190 0.4894 0.9076 0.9226 -0.0413 0.0772 0.0480 193 THR O N ? ? 1 +20850 C CA . THR M 190 0.4978 0.9087 0.9270 -0.0456 0.0836 0.0494 193 THR O CA ? ? 1 +20851 C CB . THR M 190 0.4849 0.9077 0.9309 -0.0493 0.0824 0.0487 193 THR O CB ? ? 1 +20852 O OG1 . THR M 190 0.4766 0.9151 0.9400 -0.0517 0.0835 0.0464 193 THR O OG1 ? ? 1 +20853 C CG2 . THR M 190 0.4727 0.8981 0.9210 -0.0456 0.0733 0.0492 193 THR O CG2 ? ? 1 +20854 C C . THR M 190 0.5059 0.9121 0.9309 -0.0495 0.0937 0.0492 193 THR O C ? ? 1 +20855 O O . THR M 190 0.5042 0.9139 0.9303 -0.0485 0.0953 0.0479 193 THR O O ? ? 1 +20856 N N . LYS M 191 0.5206 0.9186 0.9403 -0.0537 0.1006 0.0504 194 LYS O N ? ? 1 +20857 C CA . LYS M 191 0.5373 0.9301 0.9526 -0.0579 0.1110 0.0503 194 LYS O CA ? ? 1 +20858 C CB . LYS M 191 0.5770 0.9489 0.9701 -0.0576 0.1155 0.0530 194 LYS O CB ? ? 1 +20859 C CG . LYS M 191 0.6058 0.9653 0.9806 -0.0505 0.1098 0.0544 194 LYS O CG ? ? 1 +20860 C CD . LYS M 191 0.6469 0.9902 1.0020 -0.0498 0.1167 0.0556 194 LYS O CD ? ? 1 +20861 C CE . LYS M 191 0.6639 1.0149 1.0251 -0.0507 0.1209 0.0536 194 LYS O CE ? ? 1 +20862 N NZ . LYS M 191 0.6982 1.0336 1.0394 -0.0488 0.1264 0.0546 194 LYS O NZ ? ? 1 +20863 C C . LYS M 191 0.5158 0.9199 0.9480 -0.0648 0.1166 0.0489 194 LYS O C ? ? 1 +20864 O O . LYS M 191 0.5009 0.9102 0.9418 -0.0667 0.1137 0.0488 194 LYS O O ? ? 1 +20865 N N . GLY M 192 0.5151 0.9229 0.9518 -0.0683 0.1245 0.0475 195 GLY O N ? ? 1 +20866 C CA . GLY M 192 0.5096 0.9269 0.9609 -0.0751 0.1310 0.0460 195 GLY O CA ? ? 1 +20867 C C . GLY M 192 0.5238 0.9307 0.9658 -0.0797 0.1423 0.0465 195 GLY O C ? ? 1 +20868 O O . GLY M 192 0.5366 0.9309 0.9622 -0.0772 0.1453 0.0477 195 GLY O O ? ? 1 +20869 N N . GLN M 193 0.5279 0.9401 0.9803 -0.0864 0.1484 0.0455 196 GLN O N ? ? 1 +20870 C CA . GLN M 193 0.5472 0.9509 0.9930 -0.0918 0.1598 0.0457 196 GLN O CA ? ? 1 +20871 C CB . GLN M 193 0.5741 0.9676 1.0141 -0.0965 0.1632 0.0473 196 GLN O CB ? ? 1 +20872 C CG . GLN M 193 0.6086 0.9840 1.0283 -0.0921 0.1586 0.0505 196 GLN O CG ? ? 1 +20873 C CD . GLN M 193 0.6243 1.0060 1.0492 -0.0869 0.1465 0.0507 196 GLN O CD ? ? 1 +20874 O OE1 . GLN M 193 0.6229 1.0214 1.0667 -0.0878 0.1417 0.0487 196 GLN O OE1 ? ? 1 +20875 N NE2 . GLN M 193 0.6463 1.0146 1.0542 -0.0812 0.1411 0.0531 196 GLN O NE2 ? ? 1 +20876 C C . GLN M 193 0.5250 0.9452 0.9899 -0.0965 0.1655 0.0426 196 GLN O C ? ? 1 +20877 O O . GLN M 193 0.5024 0.9388 0.9861 -0.0979 0.1615 0.0406 196 GLN O O ? ? 1 +20878 N N . ILE M 194 0.5333 0.9493 0.9930 -0.0986 0.1747 0.0422 197 ILE O N ? ? 1 +20879 C CA . ILE M 194 0.5237 0.9543 1.0006 -0.1033 0.1813 0.0391 197 ILE O CA ? ? 1 +20880 C CB . ILE M 194 0.5141 0.9543 0.9967 -0.0986 0.1793 0.0374 197 ILE O CB ? ? 1 +20881 C CG1 . ILE M 194 0.5029 0.9619 1.0072 -0.1026 0.1839 0.0339 197 ILE O CG1 ? ? 1 +20882 C CG2 . ILE M 194 0.5320 0.9576 0.9952 -0.0955 0.1838 0.0389 197 ILE O CG2 ? ? 1 +20883 C CD1 . ILE M 194 0.4931 0.9630 1.0051 -0.0980 0.1810 0.0320 197 ILE O CD1 ? ? 1 +20884 C C . ILE M 194 0.5388 0.9607 1.0095 -0.1096 0.1938 0.0393 197 ILE O C ? ? 1 +20885 O O . ILE M 194 0.5512 0.9553 1.0015 -0.1085 0.1983 0.0416 197 ILE O O ? ? 1 +20886 N N . SER M 195 0.5388 0.9734 1.0270 -0.1162 0.1991 0.0367 198 SER O N ? ? 1 +20887 C CA . SER M 195 0.5577 0.9894 1.0456 -0.1228 0.2116 0.0359 198 SER O CA ? ? 1 +20888 C CB . SER M 195 0.5640 0.9978 1.0605 -0.1305 0.2153 0.0351 198 SER O CB ? ? 1 +20889 O OG . SER M 195 0.5851 1.0026 1.0664 -0.1305 0.2129 0.0381 198 SER O OG ? ? 1 +20890 C C . SER M 195 0.5509 0.9994 1.0553 -0.1236 0.2157 0.0325 198 SER O C ? ? 1 +20891 O O . SER M 195 0.5295 0.9964 1.0538 -0.1234 0.2107 0.0299 198 SER O O ? ? 1 +20892 N N . LEU M 196 0.5735 1.0153 1.0692 -0.1243 0.2249 0.0325 199 LEU O N ? ? 1 +20893 C CA . LEU M 196 0.5734 1.0303 1.0846 -0.1262 0.2310 0.0291 199 LEU O CA ? ? 1 +20894 C CB . LEU M 196 0.5829 1.0365 1.0849 -0.1201 0.2315 0.0293 199 LEU O CB ? ? 1 +20895 C CG . LEU M 196 0.5747 1.0300 1.0742 -0.1119 0.2192 0.0301 199 LEU O CG ? ? 1 +20896 C CD1 . LEU M 196 0.5968 1.0311 1.0709 -0.1073 0.2171 0.0336 199 LEU O CD1 ? ? 1 +20897 C CD2 . LEU M 196 0.5653 1.0345 1.0763 -0.1080 0.2178 0.0275 199 LEU O CD2 ? ? 1 +20898 C C . LEU M 196 0.5825 1.0371 1.0955 -0.1346 0.2438 0.0281 199 LEU O C ? ? 1 +20899 O O . LEU M 196 0.6014 1.0388 1.0961 -0.1361 0.2516 0.0302 199 LEU O O ? ? 1 +20900 N N . ASN M 197 0.5768 1.0488 1.1120 -0.1400 0.2456 0.0249 200 ASN O N ? ? 1 +20901 C CA . ASN M 197 0.5919 1.0655 1.1333 -0.1486 0.2574 0.0232 200 ASN O CA ? ? 1 +20902 C CB . ASN M 197 0.5905 1.0743 1.1480 -0.1543 0.2547 0.0215 200 ASN O CB ? ? 1 +20903 C CG . ASN M 197 0.6159 1.1033 1.1824 -0.1639 0.2661 0.0193 200 ASN O CG ? ? 1 +20904 O OD1 . ASN M 197 0.6231 1.1250 1.2049 -0.1665 0.2722 0.0159 200 ASN O OD1 ? ? 1 +20905 N ND2 . ASN M 197 0.6364 1.1102 1.1931 -0.1693 0.2697 0.0211 200 ASN O ND2 ? ? 1 +20906 C C . ASN M 197 0.5844 1.0717 1.1387 -0.1493 0.2646 0.0199 200 ASN O C ? ? 1 +20907 O O . ASN M 197 0.5630 1.0708 1.1390 -0.1492 0.2613 0.0165 200 ASN O O ? ? 1 +20908 N N . VAL M 198 0.6061 1.0817 1.1463 -0.1499 0.2744 0.0208 201 VAL O N ? ? 1 +20909 C CA . VAL M 198 0.6212 1.1084 1.1724 -0.1511 0.2827 0.0177 201 VAL O CA ? ? 1 +20910 C CB . VAL M 198 0.6424 1.1124 1.1726 -0.1501 0.2924 0.0196 201 VAL O CB ? ? 1 +20911 C CG1 . VAL M 198 0.6402 1.1233 1.1827 -0.1508 0.3007 0.0162 201 VAL O CG1 ? ? 1 +20912 C CG2 . VAL M 198 0.6450 1.0996 1.1536 -0.1415 0.2849 0.0231 201 VAL O CG2 ? ? 1 +20913 C C . VAL M 198 0.6289 1.1305 1.2008 -0.1599 0.2901 0.0142 201 VAL O C ? ? 1 +20914 O O . VAL M 198 0.6638 1.1568 1.2312 -0.1669 0.2959 0.0150 201 VAL O O ? ? 1 +20915 N N . ALA M 199 0.6178 1.1416 1.2123 -0.1593 0.2893 0.0101 202 ALA O N ? ? 1 +20916 C CA . ALA M 199 0.6152 1.1566 1.2327 -0.1667 0.2946 0.0061 202 ALA O CA ? ? 1 +20917 C CB . ALA M 199 0.5918 1.1513 1.2293 -0.1652 0.2833 0.0039 202 ALA O CB ? ? 1 +20918 C C . ALA M 199 0.6307 1.1839 1.2593 -0.1678 0.3042 0.0027 202 ALA O C ? ? 1 +20919 O O . ALA M 199 0.6354 1.1986 1.2784 -0.1751 0.3126 -0.0004 202 ALA O O ? ? 1 +20920 N N . LYS M 200 0.6410 1.1932 1.2631 -0.1603 0.3029 0.0031 203 LYS O N ? ? 1 +20921 C CA . LYS M 200 0.6416 1.2034 1.2719 -0.1600 0.3116 0.0001 203 LYS O CA ? ? 1 +20922 C CB . LYS M 200 0.6379 1.2230 1.2911 -0.1556 0.3045 -0.0036 203 LYS O CB ? ? 1 +20923 C CG . LYS M 200 0.6458 1.2496 1.3229 -0.1603 0.3006 -0.0067 203 LYS O CG ? ? 1 +20924 C CD . LYS M 200 0.6530 1.2794 1.3518 -0.1554 0.2943 -0.0105 203 LYS O CD ? ? 1 +20925 C CE . LYS M 200 0.6619 1.3078 1.3852 -0.1600 0.2909 -0.0140 203 LYS O CE ? ? 1 +20926 N NZ . LYS M 200 0.6612 1.3275 1.4035 -0.1542 0.2836 -0.0173 203 LYS O NZ ? ? 1 +20927 C C . LYS M 200 0.6412 1.1861 1.2488 -0.1545 0.3151 0.0028 203 LYS O C ? ? 1 +20928 O O . LYS M 200 0.6373 1.1730 1.2316 -0.1474 0.3061 0.0055 203 LYS O O ? ? 1 +20929 N N . VAL M 201 0.6429 1.1840 1.2464 -0.1578 0.3282 0.0019 204 VAL O N ? ? 1 +20930 C CA . VAL M 201 0.6538 1.1796 1.2364 -0.1530 0.3329 0.0040 204 VAL O CA ? ? 1 +20931 C CB . VAL M 201 0.6767 1.1773 1.2337 -0.1568 0.3408 0.0079 204 VAL O CB ? ? 1 +20932 C CG1 . VAL M 201 0.6926 1.1760 1.2259 -0.1508 0.3436 0.0103 204 VAL O CG1 ? ? 1 +20933 C CG2 . VAL M 201 0.6740 1.1632 1.2216 -0.1580 0.3327 0.0112 204 VAL O CG2 ? ? 1 +20934 C C . VAL M 201 0.6571 1.1959 1.2518 -0.1532 0.3424 0.0002 204 VAL O C ? ? 1 +20935 O O . VAL M 201 0.6603 1.2086 1.2687 -0.1604 0.3522 -0.0026 204 VAL O O ? ? 1 +20936 N N . ASP M 202 0.6580 1.1975 1.2482 -0.1452 0.3393 -0.0001 205 ASP O N ? ? 1 +20937 C CA . ASP M 202 0.6658 1.2115 1.2602 -0.1440 0.3489 -0.0027 205 ASP O CA ? ? 1 +20938 C CB . ASP M 202 0.6502 1.2122 1.2584 -0.1364 0.3412 -0.0055 205 ASP O CB ? ? 1 +20939 C CG . ASP M 202 0.6583 1.2293 1.2738 -0.1350 0.3510 -0.0088 205 ASP O CG ? ? 1 +20940 O OD1 . ASP M 202 0.6766 1.2334 1.2753 -0.1359 0.3615 -0.0076 205 ASP O OD1 ? ? 1 +20941 O OD2 . ASP M 202 0.6496 1.2414 1.2869 -0.1326 0.3481 -0.0126 205 ASP O OD2 ? ? 1 +20942 C C . ASP M 202 0.7009 1.2224 1.2662 -0.1420 0.3556 0.0006 205 ASP O C ? ? 1 +20943 O O . ASP M 202 0.6974 1.2073 1.2462 -0.1346 0.3482 0.0031 205 ASP O O ? ? 1 +20944 N N . GLY M 203 0.7393 1.2534 1.2988 -0.1487 0.3696 0.0007 206 GLY O N ? ? 1 +20945 C CA . GLY M 203 0.7732 1.2632 1.3046 -0.1480 0.3776 0.0040 206 GLY O CA ? ? 1 +20946 C C . GLY M 203 0.7907 1.2779 1.3133 -0.1411 0.3807 0.0032 206 GLY O C ? ? 1 +20947 O O . GLY M 203 0.8130 1.2791 1.3096 -0.1377 0.3824 0.0064 206 GLY O O ? ? 1 +20948 N N . ARG M 204 0.7926 1.3009 1.3366 -0.1390 0.3814 -0.0011 207 ARG O N ? ? 1 +20949 C CA . ARG M 204 0.8302 1.3367 1.3670 -0.1325 0.3849 -0.0022 207 ARG O CA ? ? 1 +20950 C CB . ARG M 204 0.8894 1.4173 1.4494 -0.1342 0.3939 -0.0073 207 ARG O CB ? ? 1 +20951 C CG . ARG M 204 0.9297 1.4844 1.5206 -0.1343 0.3866 -0.0112 207 ARG O CG ? ? 1 +20952 C CD . ARG M 204 0.9897 1.5644 1.6011 -0.1337 0.3943 -0.0162 207 ARG O CD ? ? 1 +20953 N NE . ARG M 204 1.0430 1.6428 1.6831 -0.1330 0.3863 -0.0199 207 ARG O NE ? ? 1 +20954 C CZ . ARG M 204 1.0754 1.6868 1.7327 -0.1396 0.3843 -0.0210 207 ARG O CZ ? ? 1 +20955 N NH1 . ARG M 204 1.0995 1.7069 1.7566 -0.1487 0.3944 -0.0208 207 ARG O NH1 ? ? 1 +20956 N NH2 . ARG M 204 1.0558 1.6827 1.7306 -0.1369 0.3721 -0.0225 207 ARG O NH2 ? ? 1 +20957 C C . ARG M 204 0.7911 1.2961 1.3220 -0.1229 0.3709 -0.0012 207 ARG O C ? ? 1 +20958 O O . ARG M 204 0.7973 1.2882 1.3085 -0.1172 0.3714 0.0003 207 ARG O O ? ? 1 +20959 N N . THR M 205 0.7512 1.2699 1.2984 -0.1213 0.3585 -0.0020 208 THR O N ? ? 1 +20960 C CA . THR M 205 0.7198 1.2379 1.2628 -0.1127 0.3450 -0.0012 208 THR O CA ? ? 1 +20961 C CB . THR M 205 0.6902 1.2315 1.2597 -0.1110 0.3353 -0.0041 208 THR O CB ? ? 1 +20962 O OG1 . THR M 205 0.6775 1.2213 1.2539 -0.1158 0.3295 -0.0029 208 THR O OG1 ? ? 1 +20963 C CG2 . THR M 205 0.6846 1.2476 1.2783 -0.1129 0.3427 -0.0090 208 THR O CG2 ? ? 1 +20964 C C . THR M 205 0.7116 1.2098 1.2324 -0.1105 0.3364 0.0034 208 THR O C ? ? 1 +20965 O O . THR M 205 0.7232 1.2138 1.2320 -0.1033 0.3282 0.0047 208 THR O O ? ? 1 +20966 N N . GLY M 206 0.7007 1.1907 1.2165 -0.1168 0.3382 0.0057 209 GLY O N ? ? 1 +20967 C CA . GLY M 206 0.6906 1.1635 1.1879 -0.1151 0.3296 0.0099 209 GLY O CA ? ? 1 +20968 C C . GLY M 206 0.6559 1.1403 1.1670 -0.1129 0.3154 0.0097 209 GLY O C ? ? 1 +20969 O O . GLY M 206 0.6542 1.1279 1.1520 -0.1085 0.3054 0.0125 209 GLY O O ? ? 1 +20970 N N . GLU M 207 0.6233 1.1296 1.1610 -0.1162 0.3148 0.0064 210 GLU O N ? ? 1 +20971 C CA . GLU M 207 0.5879 1.1068 1.1408 -0.1149 0.3024 0.0059 210 GLU O CA ? ? 1 +20972 C CB . GLU M 207 0.5686 1.1116 1.1473 -0.1131 0.3001 0.0016 210 GLU O CB ? ? 1 +20973 C CG . GLU M 207 0.5652 1.1101 1.1411 -0.1050 0.2971 0.0005 210 GLU O CG ? ? 1 +20974 C CD . GLU M 207 0.5500 1.1176 1.1503 -0.1037 0.2983 -0.0041 210 GLU O CD ? ? 1 +20975 O OE1 . GLU M 207 0.5593 1.1327 1.1662 -0.1068 0.3098 -0.0065 210 GLU O OE1 ? ? 1 +20976 O OE2 . GLU M 207 0.5276 1.1073 1.1406 -0.0997 0.2879 -0.0052 210 GLU O OE2 ? ? 1 +20977 C C . GLU M 207 0.5776 1.0964 1.1357 -0.1226 0.3035 0.0068 210 GLU O C ? ? 1 +20978 O O . GLU M 207 0.5771 1.1005 1.1434 -0.1296 0.3139 0.0052 210 GLU O O ? ? 1 +20979 N N . ILE M 208 0.5636 1.0771 1.1168 -0.1210 0.2927 0.0093 211 ILE O N ? ? 1 +20980 C CA . ILE M 208 0.5536 1.0686 1.1133 -0.1273 0.2913 0.0100 211 ILE O CA ? ? 1 +20981 C CB . ILE M 208 0.5703 1.0615 1.1053 -0.1285 0.2917 0.0144 211 ILE O CB ? ? 1 +20982 C CG1 . ILE M 208 0.5686 1.0485 1.0878 -0.1208 0.2800 0.0174 211 ILE O CG1 ? ? 1 +20983 C CG2 . ILE M 208 0.5955 1.0719 1.1141 -0.1315 0.3051 0.0154 211 ILE O CG2 ? ? 1 +20984 C CD1 . ILE M 208 0.5831 1.0417 1.0805 -0.1219 0.2791 0.0215 211 ILE O CD1 ? ? 1 +20985 C C . ILE M 208 0.5244 1.0547 1.1013 -0.1249 0.2787 0.0088 211 ILE O C ? ? 1 +20986 O O . ILE M 208 0.5165 1.0491 1.0925 -0.1178 0.2697 0.0090 211 ILE O O ? ? 1 +20987 N N . ALA M 209 0.5096 1.0499 1.1019 -0.1309 0.2784 0.0075 212 ALA O N ? ? 1 +20988 C CA . ALA M 209 0.4851 1.0374 1.0914 -0.1295 0.2667 0.0069 212 ALA O CA ? ? 1 +20989 C CB . ALA M 209 0.4685 1.0447 1.1002 -0.1286 0.2651 0.0025 212 ALA O CB ? ? 1 +20990 C C . ALA M 209 0.4815 1.0305 1.0893 -0.1363 0.2670 0.0078 212 ALA O C ? ? 1 +20991 O O . ALA M 209 0.4938 1.0354 1.0967 -0.1429 0.2770 0.0081 212 ALA O O ? ? 1 +20992 N N . GLY M 210 0.4640 1.0184 1.0786 -0.1348 0.2560 0.0082 213 GLY O N ? ? 1 +20993 C CA . GLY M 210 0.4633 1.0125 1.0768 -0.1402 0.2546 0.0096 213 GLY O CA ? ? 1 +20994 C C . GLY M 210 0.4436 0.9994 1.0642 -0.1370 0.2414 0.0100 213 GLY O C ? ? 1 +20995 O O . GLY M 210 0.4284 0.9963 1.0592 -0.1316 0.2341 0.0086 213 GLY O O ? ? 1 +20996 N N . THR M 211 0.4441 0.9917 1.0594 -0.1404 0.2389 0.0119 214 THR O N ? ? 1 +20997 C CA . THR M 211 0.4315 0.9825 1.0505 -0.1375 0.2269 0.0127 214 THR O CA ? ? 1 +20998 C CB . THR M 211 0.4232 0.9821 1.0557 -0.1440 0.2262 0.0112 214 THR O CB ? ? 1 +20999 O OG1 . THR M 211 0.4379 0.9809 1.0570 -0.1498 0.2333 0.0131 214 THR O OG1 ? ? 1 +21000 C CG2 . THR M 211 0.4131 0.9930 1.0695 -0.1479 0.2299 0.0066 214 THR O CG2 ? ? 1 +21001 C C . THR M 211 0.4436 0.9742 1.0392 -0.1334 0.2223 0.0171 214 THR O C ? ? 1 +21002 O O . THR M 211 0.4612 0.9751 1.0385 -0.1342 0.2290 0.0194 214 THR O O ? ? 1 +21003 N N . PHE M 212 0.4340 0.9663 1.0303 -0.1290 0.2110 0.0182 215 PHE O N ? ? 1 +21004 C CA . PHE M 212 0.4493 0.9637 1.0251 -0.1252 0.2058 0.0221 215 PHE O CA ? ? 1 +21005 C CB . PHE M 212 0.4441 0.9542 1.0098 -0.1171 0.2010 0.0234 215 PHE O CB ? ? 1 +21006 C CG . PHE M 212 0.4200 0.9427 0.9968 -0.1116 0.1900 0.0224 215 PHE O CG ? ? 1 +21007 C CD1 . PHE M 212 0.4153 0.9331 0.9863 -0.1081 0.1802 0.0245 215 PHE O CD1 ? ? 1 +21008 C CD2 . PHE M 212 0.4052 0.9446 0.9984 -0.1100 0.1895 0.0194 215 PHE O CD2 ? ? 1 +21009 C CE1 . PHE M 212 0.3960 0.9248 0.9768 -0.1034 0.1706 0.0237 215 PHE O CE1 ? ? 1 +21010 C CE2 . PHE M 212 0.3889 0.9388 0.9915 -0.1052 0.1797 0.0187 215 PHE O CE2 ? ? 1 +21011 C CZ . PHE M 212 0.3851 0.9296 0.9814 -0.1020 0.1704 0.0209 215 PHE O CZ ? ? 1 +21012 C C . PHE M 212 0.4491 0.9661 1.0298 -0.1251 0.1967 0.0228 215 PHE O C ? ? 1 +21013 O O . PHE M 212 0.4382 0.9716 1.0376 -0.1262 0.1923 0.0204 215 PHE O O ? ? 1 +21014 N N . GLU M 213 0.4724 0.9725 1.0353 -0.1239 0.1941 0.0261 216 GLU O N ? ? 1 +21015 C CA . GLU M 213 0.4761 0.9763 1.0403 -0.1224 0.1848 0.0273 216 GLU O CA ? ? 1 +21016 C CB . GLU M 213 0.5024 0.9976 1.0668 -0.1293 0.1886 0.0275 216 GLU O CB ? ? 1 +21017 C CG . GLU M 213 0.5162 1.0139 1.0849 -0.1284 0.1795 0.0280 216 GLU O CG ? ? 1 +21018 C CD . GLU M 213 0.5447 1.0406 1.1173 -0.1359 0.1834 0.0274 216 GLU O CD ? ? 1 +21019 O OE1 . GLU M 213 0.5786 1.0588 1.1370 -0.1394 0.1905 0.0291 216 GLU O OE1 ? ? 1 +21020 O OE2 . GLU M 213 0.5526 1.0622 1.1419 -0.1383 0.1795 0.0251 216 GLU O OE2 ? ? 1 +21021 C C . GLU M 213 0.4752 0.9605 1.0200 -0.1157 0.1788 0.0306 216 GLU O C ? ? 1 +21022 O O . GLU M 213 0.4849 0.9534 1.0111 -0.1153 0.1835 0.0329 216 GLU O O ? ? 1 +21023 N N . SER M 214 0.4633 0.9549 1.0125 -0.1105 0.1683 0.0308 217 SER O N ? ? 1 +21024 C CA . SER M 214 0.4695 0.9487 1.0022 -0.1042 0.1618 0.0337 217 SER O CA ? ? 1 +21025 C CB . SER M 214 0.4686 0.9514 1.0002 -0.0982 0.1588 0.0332 217 SER O CB ? ? 1 +21026 O OG . SER M 214 0.4560 0.9564 1.0056 -0.0964 0.1524 0.0310 217 SER O OG ? ? 1 +21027 C C . SER M 214 0.4566 0.9381 0.9928 -0.1024 0.1524 0.0345 217 SER O C ? ? 1 +21028 O O . SER M 214 0.4413 0.9375 0.9948 -0.1040 0.1488 0.0325 217 SER O O ? ? 1 +21029 N N . GLU M 215 0.4694 0.9357 0.9885 -0.0993 0.1488 0.0374 218 GLU O N ? ? 1 +21030 C CA . GLU M 215 0.4644 0.9313 0.9846 -0.0969 0.1399 0.0384 218 GLU O CA ? ? 1 +21031 C CB . GLU M 215 0.4986 0.9524 1.0088 -0.1003 0.1423 0.0402 218 GLU O CB ? ? 1 +21032 C CG . GLU M 215 0.5181 0.9798 1.0419 -0.1076 0.1468 0.0383 218 GLU O CG ? ? 1 +21033 C CD . GLU M 215 0.5533 1.0020 1.0674 -0.1111 0.1490 0.0400 218 GLU O CD ? ? 1 +21034 O OE1 . GLU M 215 0.5826 1.0187 1.0855 -0.1148 0.1575 0.0410 218 GLU O OE1 ? ? 1 +21035 O OE2 . GLU M 215 0.5713 1.0214 1.0882 -0.1098 0.1422 0.0404 218 GLU O OE2 ? ? 1 +21036 C C . GLU M 215 0.4443 0.9060 0.9544 -0.0893 0.1321 0.0400 218 GLU O C ? ? 1 +21037 O O . GLU M 215 0.4533 0.9018 0.9467 -0.0865 0.1340 0.0417 218 GLU O O ? ? 1 +21038 N N . GLN M 216 0.4150 0.8874 0.9353 -0.0862 0.1233 0.0393 219 GLN O N ? ? 1 +21039 C CA . GLN M 216 0.4018 0.8709 0.9146 -0.0794 0.1153 0.0405 219 GLN O CA ? ? 1 +21040 C CB . GLN M 216 0.3919 0.8668 0.9072 -0.0764 0.1154 0.0392 219 GLN O CB ? ? 1 +21041 C CG . GLN M 216 0.3714 0.8647 0.9070 -0.0780 0.1150 0.0364 219 GLN O CG ? ? 1 +21042 C CD . GLN M 216 0.3628 0.8615 0.9004 -0.0735 0.1119 0.0354 219 GLN O CD ? ? 1 +21043 O OE1 . GLN M 216 0.3581 0.8576 0.8942 -0.0687 0.1039 0.0359 219 GLN O OE1 ? ? 1 +21044 N NE2 . GLN M 216 0.3599 0.8625 0.9011 -0.0748 0.1181 0.0339 219 GLN O NE2 ? ? 1 +21045 C C . GLN M 216 0.3853 0.8635 0.9081 -0.0774 0.1063 0.0402 219 GLN O C ? ? 1 +21046 O O . GLN M 216 0.3732 0.8618 0.9101 -0.0810 0.1061 0.0389 219 GLN O O ? ? 1 +21047 N N . LEU M 217 0.3835 0.8576 0.8988 -0.0717 0.0989 0.0415 220 LEU O N ? ? 1 +21048 C CA . LEU M 217 0.3673 0.8500 0.8916 -0.0692 0.0903 0.0412 220 LEU O CA ? ? 1 +21049 C CB . LEU M 217 0.3775 0.8495 0.8881 -0.0641 0.0842 0.0433 220 LEU O CB ? ? 1 +21050 C CG . LEU M 217 0.3936 0.8501 0.8896 -0.0650 0.0866 0.0455 220 LEU O CG ? ? 1 +21051 C CD1 . LEU M 217 0.3993 0.8465 0.8823 -0.0589 0.0799 0.0473 220 LEU O CD1 ? ? 1 +21052 C CD2 . LEU M 217 0.3883 0.8485 0.8926 -0.0692 0.0872 0.0453 220 LEU O CD2 ? ? 1 +21053 C C . LEU M 217 0.3503 0.8476 0.8881 -0.0673 0.0866 0.0393 220 LEU O C ? ? 1 +21054 O O . LEU M 217 0.3510 0.8485 0.8866 -0.0656 0.0886 0.0386 220 LEU O O ? ? 1 +21055 N N . SER M 218 0.3369 0.8456 0.8881 -0.0674 0.0813 0.0383 221 SER O N ? ? 1 +21056 C CA . SER M 218 0.3230 0.8451 0.8868 -0.0652 0.0768 0.0367 221 SER O CA ? ? 1 +21057 C CB . SER M 218 0.3092 0.8441 0.8894 -0.0682 0.0752 0.0353 221 SER O CB ? ? 1 +21058 O OG . SER M 218 0.3053 0.8386 0.8845 -0.0671 0.0696 0.0364 221 SER O OG ? ? 1 +21059 C C . SER M 218 0.3196 0.8398 0.8782 -0.0596 0.0689 0.0376 221 SER O C ? ? 1 +21060 O O . SER M 218 0.3256 0.8346 0.8712 -0.0571 0.0668 0.0393 221 SER O O ? ? 1 +21061 N N . ASP M 219 0.3095 0.8407 0.8786 -0.0576 0.0646 0.0362 222 ASP O N ? ? 1 +21062 C CA . ASP M 219 0.3085 0.8396 0.8749 -0.0528 0.0572 0.0367 222 ASP O CA ? ? 1 +21063 C CB . ASP M 219 0.2951 0.8392 0.8749 -0.0518 0.0541 0.0349 222 ASP O CB ? ? 1 +21064 C CG . ASP M 219 0.2889 0.8352 0.8692 -0.0477 0.0464 0.0351 222 ASP O CG ? ? 1 +21065 O OD1 . ASP M 219 0.2981 0.8361 0.8671 -0.0445 0.0440 0.0359 222 ASP O OD1 ? ? 1 +21066 O OD2 . ASP M 219 0.2796 0.8363 0.8718 -0.0477 0.0426 0.0343 222 ASP O OD2 ? ? 1 +21067 C C . ASP M 219 0.3097 0.8384 0.8742 -0.0516 0.0518 0.0380 222 ASP O C ? ? 1 +21068 O O . ASP M 219 0.3063 0.8396 0.8783 -0.0543 0.0519 0.0379 222 ASP O O ? ? 1 +21069 N N . ASP M 220 0.3209 0.8424 0.8752 -0.0474 0.0471 0.0391 223 ASP O N ? ? 1 +21070 C CA . ASP M 220 0.3203 0.8405 0.8733 -0.0456 0.0415 0.0401 223 ASP O CA ? ? 1 +21071 C CB . ASP M 220 0.3378 0.8433 0.8741 -0.0436 0.0418 0.0419 223 ASP O CB ? ? 1 +21072 C CG . ASP M 220 0.3495 0.8477 0.8742 -0.0394 0.0396 0.0422 223 ASP O CG ? ? 1 +21073 O OD1 . ASP M 220 0.3416 0.8461 0.8712 -0.0377 0.0371 0.0410 223 ASP O OD1 ? ? 1 +21074 O OD2 . ASP M 220 0.3712 0.8569 0.8815 -0.0376 0.0402 0.0437 223 ASP O OD2 ? ? 1 +21075 C C . ASP M 220 0.3164 0.8438 0.8752 -0.0420 0.0341 0.0395 223 ASP O C ? ? 1 +21076 O O . ASP M 220 0.3147 0.8413 0.8723 -0.0399 0.0290 0.0402 223 ASP O O ? ? 1 +21077 N N . ASP M 221 0.3130 0.8472 0.8780 -0.0415 0.0339 0.0381 224 ASP O N ? ? 1 +21078 C CA . ASP M 221 0.3054 0.8467 0.8765 -0.0387 0.0277 0.0373 224 ASP O CA ? ? 1 +21079 C CB . ASP M 221 0.2909 0.8426 0.8752 -0.0400 0.0247 0.0369 224 ASP O CB ? ? 1 +21080 C CG . ASP M 221 0.2809 0.8412 0.8736 -0.0381 0.0197 0.0359 224 ASP O CG ? ? 1 +21081 O OD1 . ASP M 221 0.2810 0.8408 0.8714 -0.0364 0.0192 0.0351 224 ASP O OD1 ? ? 1 +21082 O OD2 . ASP M 221 0.2785 0.8455 0.8793 -0.0383 0.0163 0.0359 224 ASP O OD2 ? ? 1 +21083 C C . ASP M 221 0.3189 0.8529 0.8796 -0.0346 0.0225 0.0381 224 ASP O C ? ? 1 +21084 O O . ASP M 221 0.3144 0.8520 0.8786 -0.0328 0.0169 0.0382 224 ASP O O ? ? 1 +21085 N N . MET M 222 0.3346 0.8581 0.8820 -0.0332 0.0247 0.0386 225 MET O N ? ? 1 +21086 C CA . MET M 222 0.3449 0.8609 0.8814 -0.0290 0.0201 0.0390 225 MET O CA ? ? 1 +21087 C CB . MET M 222 0.3432 0.8656 0.8847 -0.0268 0.0153 0.0375 225 MET O CB ? ? 1 +21088 C CG . MET M 222 0.3491 0.8735 0.8927 -0.0280 0.0193 0.0363 225 MET O CG ? ? 1 +21089 S SD . MET M 222 0.3666 0.8909 0.9070 -0.0245 0.0147 0.0348 225 MET O SD ? ? 1 +21090 C CE . MET M 222 0.3830 0.8921 0.9043 -0.0228 0.0184 0.0355 225 MET O CE ? ? 1 +21091 C C . MET M 222 0.3443 0.8573 0.8777 -0.0274 0.0161 0.0402 225 MET O C ? ? 1 +21092 O O . MET M 222 0.3408 0.8540 0.8724 -0.0239 0.0099 0.0401 225 MET O O ? ? 1 +21093 N N . GLY M 223 0.3436 0.8538 0.8765 -0.0300 0.0198 0.0413 226 GLY O N ? ? 1 +21094 C CA . GLY M 223 0.3463 0.8513 0.8742 -0.0286 0.0172 0.0427 226 GLY O CA ? ? 1 +21095 C C . GLY M 223 0.3338 0.8483 0.8740 -0.0297 0.0143 0.0425 226 GLY O C ? ? 1 +21096 O O . GLY M 223 0.3427 0.8536 0.8796 -0.0285 0.0122 0.0434 226 GLY O O ? ? 1 +21097 N N . ALA M 224 0.3204 0.8466 0.8742 -0.0319 0.0144 0.0412 227 ALA O N ? ? 1 +21098 C CA . ALA M 224 0.3129 0.8483 0.8782 -0.0327 0.0113 0.0409 227 ALA O CA ? ? 1 +21099 C CB . ALA M 224 0.2980 0.8449 0.8756 -0.0335 0.0100 0.0394 227 ALA O CB ? ? 1 +21100 C C . ALA M 224 0.3247 0.8601 0.8932 -0.0362 0.0148 0.0414 227 ALA O C ? ? 1 +21101 O O . ALA M 224 0.3141 0.8538 0.8883 -0.0362 0.0121 0.0415 227 ALA O O ? ? 1 +21102 N N . HIS M 225 0.3481 0.8789 0.9132 -0.0393 0.0211 0.0416 228 HIS O N ? ? 1 +21103 C CA . HIS M 225 0.3572 0.8872 0.9247 -0.0431 0.0248 0.0419 228 HIS O CA ? ? 1 +21104 C CB . HIS M 225 0.3398 0.8823 0.9225 -0.0463 0.0257 0.0405 228 HIS O CB ? ? 1 +21105 C CG . HIS M 225 0.3399 0.8867 0.9271 -0.0484 0.0300 0.0393 228 HIS O CG ? ? 1 +21106 N ND1 . HIS M 225 0.3493 0.8910 0.9326 -0.0518 0.0367 0.0393 228 HIS O ND1 ? ? 1 +21107 C CE1 . HIS M 225 0.3399 0.8879 0.9294 -0.0527 0.0391 0.0379 228 HIS O CE1 ? ? 1 +21108 N NE2 . HIS M 225 0.3299 0.8860 0.9266 -0.0503 0.0343 0.0372 228 HIS O NE2 ? ? 1 +21109 C CD2 . HIS M 225 0.3335 0.8890 0.9289 -0.0477 0.0286 0.0380 228 HIS O CD2 ? ? 1 +21110 C C . HIS M 225 0.3852 0.9044 0.9422 -0.0452 0.0312 0.0427 228 HIS O C ? ? 1 +21111 O O . HIS M 225 0.4113 0.9249 0.9603 -0.0439 0.0329 0.0429 228 HIS O O ? ? 1 +21112 N N . GLU M 226 0.4022 0.9178 0.9585 -0.0485 0.0347 0.0431 229 GLU O N ? ? 1 +21113 C CA . GLU M 226 0.4333 0.9384 0.9798 -0.0512 0.0414 0.0439 229 GLU O CA ? ? 1 +21114 C CB . GLU M 226 0.4745 0.9737 1.0184 -0.0540 0.0436 0.0446 229 GLU O CB ? ? 1 +21115 C CG . GLU M 226 0.5127 1.0045 1.0482 -0.0501 0.0388 0.0461 229 GLU O CG ? ? 1 +21116 C CD . GLU M 226 0.5609 1.0404 1.0804 -0.0458 0.0379 0.0476 229 GLU O CD ? ? 1 +21117 O OE1 . GLU M 226 0.5827 1.0524 1.0922 -0.0473 0.0434 0.0483 229 GLU O OE1 ? ? 1 +21118 O OE2 . GLU M 226 0.6086 1.0883 1.1258 -0.0409 0.0316 0.0480 229 GLU O OE2 ? ? 1 +21119 C C . GLU M 226 0.4097 0.9207 0.9633 -0.0550 0.0470 0.0425 229 GLU O C ? ? 1 +21120 O O . GLU M 226 0.3856 0.9086 0.9532 -0.0572 0.0467 0.0410 229 GLU O O ? ? 1 +21121 N N . PRO M 227 0.4103 0.9130 0.9545 -0.0558 0.0523 0.0429 230 PRO O N ? ? 1 +21122 C CA . PRO M 227 0.4082 0.9161 0.9590 -0.0597 0.0586 0.0415 230 PRO O CA ? ? 1 +21123 C CB . PRO M 227 0.4190 0.9157 0.9558 -0.0583 0.0625 0.0424 230 PRO O CB ? ? 1 +21124 C CG . PRO M 227 0.4294 0.9123 0.9510 -0.0557 0.0606 0.0445 230 PRO O CG ? ? 1 +21125 C CD . PRO M 227 0.4211 0.9092 0.9478 -0.0527 0.0528 0.0447 230 PRO O CD ? ? 1 +21126 C C . PRO M 227 0.4086 0.9172 0.9644 -0.0653 0.0637 0.0410 230 PRO O C ? ? 1 +21127 O O . PRO M 227 0.4141 0.9158 0.9645 -0.0661 0.0634 0.0421 230 PRO O O ? ? 1 +21128 N N . HIS M 228 0.4084 0.9256 0.9745 -0.0691 0.0683 0.0392 231 HIS O N ? ? 1 +21129 C CA . HIS M 228 0.4088 0.9263 0.9792 -0.0750 0.0744 0.0385 231 HIS O CA ? ? 1 +21130 C CB . HIS M 228 0.4029 0.9364 0.9915 -0.0778 0.0745 0.0360 231 HIS O CB ? ? 1 +21131 C CG . HIS M 228 0.4086 0.9509 1.0067 -0.0765 0.0676 0.0355 231 HIS O CG ? ? 1 +21132 N ND1 . HIS M 228 0.4211 0.9661 1.0191 -0.0714 0.0606 0.0361 231 HIS O ND1 ? ? 1 +21133 C CE1 . HIS M 228 0.4145 0.9669 1.0215 -0.0716 0.0563 0.0356 231 HIS O CE1 ? ? 1 +21134 N NE2 . HIS M 228 0.4157 0.9703 1.0284 -0.0765 0.0598 0.0345 231 HIS O NE2 ? ? 1 +21135 C CD2 . HIS M 228 0.4136 0.9619 1.0209 -0.0798 0.0670 0.0345 231 HIS O CD2 ? ? 1 +21136 C C . HIS M 228 0.4191 0.9272 0.9798 -0.0773 0.0824 0.0389 231 HIS O C ? ? 1 +21137 O O . HIS M 228 0.4149 0.9204 0.9700 -0.0747 0.0834 0.0391 231 HIS O O ? ? 1 +21138 N N . GLU M 229 0.4326 0.9347 0.9906 -0.0822 0.0882 0.0391 232 GLU O N ? ? 1 +21139 C CA . GLU M 229 0.4513 0.9465 1.0029 -0.0856 0.0969 0.0390 232 GLU O CA ? ? 1 +21140 C CB . GLU M 229 0.4851 0.9677 1.0271 -0.0897 0.1019 0.0403 232 GLU O CB ? ? 1 +21141 C CG . GLU M 229 0.5150 0.9834 1.0414 -0.0858 0.0979 0.0429 232 GLU O CG ? ? 1 +21142 C CD . GLU M 229 0.5602 1.0119 1.0719 -0.0888 0.1041 0.0446 232 GLU O CD ? ? 1 +21143 O OE1 . GLU M 229 0.5932 1.0426 1.1045 -0.0938 0.1124 0.0440 232 GLU O OE1 ? ? 1 +21144 O OE2 . GLU M 229 0.5820 1.0227 1.0823 -0.0861 0.1008 0.0466 232 GLU O OE2 ? ? 1 +21145 C C . GLU M 229 0.4289 0.9384 0.9966 -0.0894 0.1008 0.0363 232 GLU O C ? ? 1 +21146 O O . GLU M 229 0.4067 0.9275 0.9885 -0.0921 0.0992 0.0345 232 GLU O O ? ? 1 +21147 N N . VAL M 230 0.4295 0.9386 0.9949 -0.0892 0.1057 0.0358 233 VAL O N ? ? 1 +21148 C CA . VAL M 230 0.4242 0.9464 1.0042 -0.0923 0.1098 0.0331 233 VAL O CA ? ? 1 +21149 C CB . VAL M 230 0.4173 0.9490 1.0036 -0.0876 0.1058 0.0321 233 VAL O CB ? ? 1 +21150 C CG1 . VAL M 230 0.4114 0.9582 1.0146 -0.0905 0.1093 0.0291 233 VAL O CG1 ? ? 1 +21151 C CG2 . VAL M 230 0.4033 0.9396 0.9929 -0.0831 0.0961 0.0326 233 VAL O CG2 ? ? 1 +21152 C C . VAL M 230 0.4286 0.9441 1.0032 -0.0968 0.1200 0.0329 233 VAL O C ? ? 1 +21153 O O . VAL M 230 0.4336 0.9356 0.9923 -0.0953 0.1233 0.0347 233 VAL O O ? ? 1 +21154 N N . LYS M 231 0.4271 0.9523 1.0150 -0.1024 0.1250 0.0305 234 LYS O N ? ? 1 +21155 C CA . LYS M 231 0.4475 0.9694 1.0336 -0.1072 0.1351 0.0297 234 LYS O CA ? ? 1 +21156 C CB . LYS M 231 0.4759 0.9958 1.0650 -0.1143 0.1400 0.0290 234 LYS O CB ? ? 1 +21157 C CG . LYS M 231 0.5178 1.0353 1.1064 -0.1199 0.1511 0.0279 234 LYS O CG ? ? 1 +21158 C CD . LYS M 231 0.5508 1.0645 1.1408 -0.1271 0.1563 0.0274 234 LYS O CD ? ? 1 +21159 C CE . LYS M 231 0.5903 1.0836 1.1601 -0.1272 0.1575 0.0307 234 LYS O CE ? ? 1 +21160 N NZ . LYS M 231 0.6206 1.1082 1.1898 -0.1351 0.1655 0.0301 234 LYS O NZ ? ? 1 +21161 C C . LYS M 231 0.4200 0.9572 1.0208 -0.1072 0.1370 0.0269 234 LYS O C ? ? 1 +21162 O O . LYS M 231 0.4135 0.9657 1.0308 -0.1076 0.1331 0.0247 234 LYS O O ? ? 1 +21163 N N . ILE M 232 0.4088 0.9417 1.0030 -0.1063 0.1428 0.0269 235 ILE O N ? ? 1 +21164 C CA . ILE M 232 0.3895 0.9358 0.9963 -0.1057 0.1451 0.0243 235 ILE O CA ? ? 1 +21165 C CB . ILE M 232 0.3866 0.9300 0.9856 -0.0990 0.1417 0.0252 235 ILE O CB ? ? 1 +21166 C CG1 . ILE M 232 0.3764 0.9188 0.9725 -0.0937 0.1310 0.0268 235 ILE O CG1 ? ? 1 +21167 C CG2 . ILE M 232 0.3771 0.9347 0.9896 -0.0980 0.1437 0.0224 235 ILE O CG2 ? ? 1 +21168 C CD1 . ILE M 232 0.3840 0.9144 0.9640 -0.0887 0.1287 0.0289 235 ILE O CD1 ? ? 1 +21169 C C . ILE M 232 0.3890 0.9350 0.9975 -0.1113 0.1562 0.0229 235 ILE O C ? ? 1 +21170 O O . ILE M 232 0.3959 0.9275 0.9892 -0.1126 0.1624 0.0246 235 ILE O O ? ? 1 +21171 N N . GLN M 233 0.3801 0.9422 1.0073 -0.1146 0.1585 0.0196 236 GLN O N ? ? 1 +21172 C CA . GLN M 233 0.3902 0.9554 1.0226 -0.1200 0.1689 0.0176 236 GLN O CA ? ? 1 +21173 C CB . GLN M 233 0.3952 0.9682 1.0407 -0.1271 0.1714 0.0155 236 GLN O CB ? ? 1 +21174 C CG . GLN M 233 0.4165 0.9748 1.0495 -0.1306 0.1724 0.0178 236 GLN O CG ? ? 1 +21175 C CD . GLN M 233 0.4241 0.9904 1.0700 -0.1363 0.1715 0.0159 236 GLN O CD ? ? 1 +21176 O OE1 . GLN M 233 0.4256 1.0087 1.0905 -0.1389 0.1718 0.0124 236 GLN O OE1 ? ? 1 +21177 N NE2 . GLN M 233 0.4411 0.9949 1.0764 -0.1382 0.1703 0.0180 236 GLN O NE2 ? ? 1 +21178 C C . GLN M 233 0.3731 0.9515 1.0169 -0.1172 0.1699 0.0151 236 GLN O C ? ? 1 +21179 O O . GLN M 233 0.3601 0.9496 1.0138 -0.1130 0.1623 0.0140 236 GLN O O ? ? 1 +21180 N N . GLY M 234 0.3735 0.9499 1.0150 -0.1194 0.1794 0.0142 237 GLY O N ? ? 1 +21181 C CA . GLY M 234 0.3631 0.9518 1.0154 -0.1172 0.1818 0.0115 237 GLY O CA ? ? 1 +21182 C C . GLY M 234 0.3726 0.9566 1.0200 -0.1205 0.1937 0.0108 237 GLY O C ? ? 1 +21183 O O . GLY M 234 0.3840 0.9581 1.0236 -0.1259 0.2006 0.0118 237 GLY O O ? ? 1 +21184 N N . VAL M 235 0.3661 0.9571 1.0181 -0.1171 0.1959 0.0091 238 VAL O N ? ? 1 +21185 C CA . VAL M 235 0.3788 0.9665 1.0269 -0.1193 0.2070 0.0083 238 VAL O CA ? ? 1 +21186 C CB . VAL M 235 0.3688 0.9761 1.0384 -0.1212 0.2114 0.0039 238 VAL O CB ? ? 1 +21187 C CG1 . VAL M 235 0.3600 0.9798 1.0470 -0.1272 0.2107 0.0016 238 VAL O CG1 ? ? 1 +21188 C CG2 . VAL M 235 0.3555 0.9740 1.0335 -0.1142 0.2049 0.0024 238 VAL O CG2 ? ? 1 +21189 C C . VAL M 235 0.3861 0.9615 1.0167 -0.1131 0.2066 0.0103 238 VAL O C ? ? 1 +21190 O O . VAL M 235 0.3759 0.9516 1.0040 -0.1070 0.1977 0.0113 238 VAL O O ? ? 1 +21191 N N . PHE M 236 0.4032 0.9678 1.0217 -0.1150 0.2165 0.0110 239 PHE O N ? ? 1 +21192 C CA . PHE M 236 0.4125 0.9655 1.0144 -0.1095 0.2172 0.0126 239 PHE O CA ? ? 1 +21193 C CB . PHE M 236 0.4263 0.9573 1.0040 -0.1088 0.2168 0.0166 239 PHE O CB ? ? 1 +21194 C CG . PHE M 236 0.4440 0.9626 1.0107 -0.1147 0.2279 0.0177 239 PHE O CG ? ? 1 +21195 C CD1 . PHE M 236 0.4458 0.9626 1.0153 -0.1211 0.2301 0.0182 239 PHE O CD1 ? ? 1 +21196 C CD2 . PHE M 236 0.4594 0.9672 1.0121 -0.1138 0.2362 0.0183 239 PHE O CD2 ? ? 1 +21197 C CE1 . PHE M 236 0.4637 0.9680 1.0222 -0.1267 0.2406 0.0193 239 PHE O CE1 ? ? 1 +21198 C CE2 . PHE M 236 0.4779 0.9734 1.0196 -0.1193 0.2467 0.0195 239 PHE O CE2 ? ? 1 +21199 C CZ . PHE M 236 0.4800 0.9740 1.0250 -0.1258 0.2490 0.0200 239 PHE O CZ ? ? 1 +21200 C C . PHE M 236 0.4228 0.9782 1.0263 -0.1109 0.2283 0.0106 239 PHE O C ? ? 1 +21201 O O . PHE M 236 0.4253 0.9869 1.0384 -0.1172 0.2368 0.0086 239 PHE O O ? ? 1 +21202 N N . TYR M 237 0.4290 0.9796 1.0231 -0.1050 0.2278 0.0109 240 TYR O N ? ? 1 +21203 C CA . TYR M 237 0.4422 0.9916 1.0332 -0.1050 0.2379 0.0094 240 TYR O CA ? ? 1 +21204 C CB . TYR M 237 0.4290 0.9972 1.0388 -0.1019 0.2366 0.0058 240 TYR O CB ? ? 1 +21205 C CG . TYR M 237 0.4389 1.0052 1.0435 -0.0991 0.2443 0.0044 240 TYR O CG ? ? 1 +21206 C CD1 . TYR M 237 0.4430 1.0003 1.0338 -0.0922 0.2402 0.0056 240 TYR O CD1 ? ? 1 +21207 C CD2 . TYR M 237 0.4443 1.0182 1.0584 -0.1035 0.2557 0.0018 240 TYR O CD2 ? ? 1 +21208 C CE1 . TYR M 237 0.4526 1.0079 1.0384 -0.0895 0.2472 0.0042 240 TYR O CE1 ? ? 1 +21209 C CE2 . TYR M 237 0.4531 1.0257 1.0628 -0.1008 0.2629 0.0004 240 TYR O CE2 ? ? 1 +21210 C CZ . TYR M 237 0.4573 1.0203 1.0525 -0.0937 0.2586 0.0017 240 TYR O CZ ? ? 1 +21211 O OH . TYR M 237 0.4659 1.0268 1.0560 -0.0910 0.2658 0.0003 240 TYR O OH ? ? 1 +21212 C C . TYR M 237 0.4608 0.9907 1.0270 -0.1003 0.2379 0.0123 240 TYR O C ? ? 1 +21213 O O . TYR M 237 0.4563 0.9811 1.0147 -0.0947 0.2283 0.0139 240 TYR O O ? ? 1 +21214 N N . ALA M 238 0.4853 1.0042 1.0392 -0.1027 0.2488 0.0128 241 ALA O N ? ? 1 +21215 C CA . ALA M 238 0.5065 1.0073 1.0369 -0.0981 0.2500 0.0151 241 ALA O CA ? ? 1 +21216 C CB . ALA M 238 0.5217 1.0026 1.0316 -0.1001 0.2505 0.0189 241 ALA O CB ? ? 1 +21217 C C . ALA M 238 0.5260 1.0264 1.0544 -0.0989 0.2618 0.0133 241 ALA O C ? ? 1 +21218 O O . ALA M 238 0.5299 1.0363 1.0676 -0.1051 0.2715 0.0117 241 ALA O O ? ? 1 +21219 N N . SER M 239 0.5410 1.0346 1.0576 -0.0928 0.2608 0.0134 242 SER O N ? ? 1 +21220 C CA . SER M 239 0.5670 1.0549 1.0752 -0.0929 0.2722 0.0125 242 SER O CA ? ? 1 +21221 C CB . SER M 239 0.5619 1.0619 1.0803 -0.0877 0.2712 0.0094 242 SER O CB ? ? 1 +21222 O OG . SER M 239 0.5644 1.0588 1.0734 -0.0805 0.2606 0.0105 242 SER O OG ? ? 1 +21223 C C . SER M 239 0.5936 1.0572 1.0727 -0.0906 0.2738 0.0160 242 SER O C ? ? 1 +21224 O O . SER M 239 0.5904 1.0451 1.0569 -0.0848 0.2648 0.0177 242 SER O O ? ? 1 +21225 N N . ILE M 240 0.6184 1.0712 1.0871 -0.0955 0.2855 0.0169 243 ILE O N ? ? 1 +21226 C CA . ILE M 240 0.6453 1.0743 1.0857 -0.0940 0.2890 0.0201 243 ILE O CA ? ? 1 +21227 C CB . ILE M 240 0.6612 1.0789 1.0933 -0.1011 0.2968 0.0224 243 ILE O CB ? ? 1 +21228 C CG1 . ILE M 240 0.6471 1.0706 1.0896 -0.1041 0.2888 0.0234 243 ILE O CG1 ? ? 1 +21229 C CG2 . ILE M 240 0.6867 1.0787 1.0882 -0.0991 0.3002 0.0259 243 ILE O CG2 ? ? 1 +21230 C CD1 . ILE M 240 0.6573 1.0762 1.1000 -0.1124 0.2972 0.0244 243 ILE O CD1 ? ? 1 +21231 C C . ILE M 240 0.6630 1.0891 1.0964 -0.0914 0.2975 0.0186 243 ILE O C ? ? 1 +21232 O O . ILE M 240 0.6648 1.1045 1.1140 -0.0941 0.3055 0.0155 243 ILE O O ? ? 1 +21233 N N . GLU M 241 0.6813 1.0896 1.0911 -0.0859 0.2956 0.0205 244 GLU O N ? ? 1 +21234 C CA . GLU M 241 0.7021 1.1047 1.1018 -0.0833 0.3039 0.0193 244 GLU O CA ? ? 1 +21235 C CB . GLU M 241 0.6875 1.1040 1.0995 -0.0774 0.2982 0.0162 244 GLU O CB ? ? 1 +21236 C CG . GLU M 241 0.6840 1.0936 1.0850 -0.0701 0.2852 0.0174 244 GLU O CG ? ? 1 +21237 C CD . GLU M 241 0.6710 1.0958 1.0870 -0.0651 0.2788 0.0143 244 GLU O CD ? ? 1 +21238 O OE1 . GLU M 241 0.6628 1.1045 1.0987 -0.0670 0.2841 0.0112 244 GLU O OE1 ? ? 1 +21239 O OE2 . GLU M 241 0.6710 1.0910 1.0791 -0.0592 0.2683 0.0149 244 GLU O OE2 ? ? 1 +21240 C C . GLU M 241 0.7282 1.1052 1.0965 -0.0800 0.3046 0.0227 244 GLU O C ? ? 1 +21241 O O . GLU M 241 0.7268 1.0939 1.0834 -0.0770 0.2947 0.0252 244 GLU O O ? ? 1 +21242 N N . PRO M 242 0.7542 1.1201 1.1082 -0.0806 0.3164 0.0227 245 PRO O N ? ? 1 +21243 C CA . PRO M 242 0.7821 1.1230 1.1051 -0.0773 0.3176 0.0257 245 PRO O CA ? ? 1 +21244 C CB . PRO M 242 0.7991 1.1340 1.1149 -0.0804 0.3335 0.0249 245 PRO O CB ? ? 1 +21245 C CG . PRO M 242 0.7813 1.1398 1.1240 -0.0820 0.3377 0.0206 245 PRO O CG ? ? 1 +21246 C CD . PRO M 242 0.7554 1.1322 1.1223 -0.0844 0.3292 0.0197 245 PRO O CD ? ? 1 +21247 C C . PRO M 242 0.7882 1.1245 1.1010 -0.0686 0.3070 0.0255 245 PRO O C ? ? 1 +21248 O O . PRO M 242 0.7805 1.1293 1.1050 -0.0653 0.3055 0.0224 245 PRO O O ? ? 1 +21249 N N . ALA M 243 0.8044 1.1231 1.0958 -0.0651 0.2994 0.0286 246 ALA O N ? ? 1 +21250 C CA . ALA M 243 0.8001 1.1145 1.0823 -0.0573 0.2874 0.0285 246 ALA O CA ? ? 1 +21251 C CB . ALA M 243 0.7908 1.1026 1.0715 -0.0561 0.2749 0.0308 246 ALA O CB ? ? 1 +21252 C C . ALA M 243 0.8299 1.1229 1.0836 -0.0531 0.2909 0.0298 246 ALA O C ? ? 1 +21253 O O . ALA M 243 0.8345 1.1256 1.0818 -0.0470 0.2859 0.0284 246 ALA O O ? ? 1 +21254 O OXT . ALA M 243 0.8562 1.1327 1.0921 -0.0556 0.2985 0.0324 246 ALA O OXT ? ? 1 +21255 N N . ASP N 1 0.8751 1.2944 1.5571 -0.2237 -0.0848 -0.1097 2 ASP R N ? ? 1 +21256 C CA . ASP N 1 0.8600 1.2734 1.5287 -0.2133 -0.0871 -0.1076 2 ASP R CA ? ? 1 +21257 C CB . ASP N 1 0.8420 1.2688 1.5148 -0.2054 -0.0863 -0.1020 2 ASP R CB ? ? 1 +21258 C CG . ASP N 1 0.8524 1.2774 1.5142 -0.1948 -0.0894 -0.1002 2 ASP R CG ? ? 1 +21259 O OD1 . ASP N 1 0.8568 1.2677 1.5056 -0.1925 -0.0910 -0.1022 2 ASP R OD1 ? ? 1 +21260 O OD2 . ASP N 1 0.8364 1.2741 1.5027 -0.1889 -0.0901 -0.0969 2 ASP R OD2 ? ? 1 +21261 C C . ASP N 1 0.8598 1.2511 1.5125 -0.2112 -0.0822 -0.1049 2 ASP R C ? ? 1 +21262 O O . ASP N 1 0.8497 1.2349 1.5006 -0.2110 -0.0753 -0.0997 2 ASP R O ? ? 1 +21263 N N . TRP N 2 0.8563 1.2354 1.4971 -0.2094 -0.0858 -0.1085 3 TRP R N ? ? 1 +21264 C CA . TRP N 2 0.8785 1.2358 1.5038 -0.2079 -0.0819 -0.1071 3 TRP R CA ? ? 1 +21265 C CB . TRP N 2 0.9002 1.2469 1.5149 -0.2075 -0.0874 -0.1130 3 TRP R CB ? ? 1 +21266 C CG . TRP N 2 0.9241 1.2763 1.5331 -0.1983 -0.0926 -0.1132 3 TRP R CG ? ? 1 +21267 C CD1 . TRP N 2 0.9278 1.2953 1.5441 -0.1974 -0.0995 -0.1167 3 TRP R CD1 ? ? 1 +21268 N NE1 . TRP N 2 0.9264 1.2934 1.5331 -0.1878 -0.1020 -0.1153 3 TRP R NE1 ? ? 1 +21269 C CE2 . TRP N 2 0.9343 1.2863 1.5281 -0.1823 -0.0967 -0.1110 3 TRP R CE2 ? ? 1 +21270 C CZ2 . TRP N 2 0.9312 1.2775 1.5128 -0.1724 -0.0965 -0.1083 3 TRP R CZ2 ? ? 1 +21271 C CH2 . TRP N 2 0.9399 1.2713 1.5108 -0.1686 -0.0905 -0.1043 3 TRP R CH2 ? ? 1 +21272 C CZ3 . TRP N 2 0.9479 1.2693 1.5192 -0.1741 -0.0850 -0.1027 3 TRP R CZ3 ? ? 1 +21273 C CE3 . TRP N 2 0.9484 1.2747 1.5311 -0.1840 -0.0850 -0.1052 3 TRP R CE3 ? ? 1 +21274 C CD2 . TRP N 2 0.9443 1.2866 1.5391 -0.1884 -0.0909 -0.1095 3 TRP R CD2 ? ? 1 +21275 C C . TRP N 2 0.8915 1.2432 1.5074 -0.1982 -0.0773 -0.1001 3 TRP R C ? ? 1 +21276 O O . TRP N 2 0.9069 1.2422 1.5126 -0.1972 -0.0721 -0.0973 3 TRP R O ? ? 1 +21277 N N . ARG N 3 0.8588 1.2242 1.4781 -0.1908 -0.0792 -0.0972 4 ARG R N ? ? 1 +21278 C CA . ARG N 3 0.8333 1.1955 1.4451 -0.1816 -0.0754 -0.0908 4 ARG R CA ? ? 1 +21279 C CB . ARG N 3 0.8058 1.1836 1.4214 -0.1743 -0.0792 -0.0894 4 ARG R CB ? ? 1 +21280 C CG . ARG N 3 0.7974 1.1742 1.4062 -0.1709 -0.0858 -0.0941 4 ARG R CG ? ? 1 +21281 C CD . ARG N 3 0.7657 1.1576 1.3782 -0.1643 -0.0893 -0.0926 4 ARG R CD ? ? 1 +21282 N NE . ARG N 3 0.7517 1.1615 1.3798 -0.1688 -0.0921 -0.0941 4 ARG R NE ? ? 1 +21283 C CZ . ARG N 3 0.7279 1.1528 1.3623 -0.1642 -0.0944 -0.0922 4 ARG R CZ ? ? 1 +21284 N NH1 . ARG N 3 0.7163 1.1411 1.3432 -0.1554 -0.0942 -0.0889 4 ARG R NH1 ? ? 1 +21285 N NH2 . ARG N 3 0.7162 1.1568 1.3650 -0.1687 -0.0969 -0.0939 4 ARG R NH2 ? ? 1 +21286 C C . ARG N 3 0.8303 1.1916 1.4460 -0.1831 -0.0683 -0.0852 4 ARG R C ? ? 1 +21287 O O . ARG N 3 0.8344 1.1861 1.4410 -0.1773 -0.0639 -0.0805 4 ARG R O ? ? 1 +21288 N N . VAL N 4 0.8249 1.1964 1.4540 -0.1906 -0.0673 -0.0859 5 VAL R N ? ? 1 +21289 C CA . VAL N 4 0.8283 1.1993 1.4616 -0.1930 -0.0605 -0.0810 5 VAL R CA ? ? 1 +21290 C CB . VAL N 4 0.8239 1.2112 1.4743 -0.2006 -0.0605 -0.0823 5 VAL R CB ? ? 1 +21291 C CG1 . VAL N 4 0.8124 1.1995 1.4665 -0.2022 -0.0533 -0.0768 5 VAL R CG1 ? ? 1 +21292 C CG2 . VAL N 4 0.8078 1.2154 1.4682 -0.1972 -0.0661 -0.0835 5 VAL R CG2 ? ? 1 +21293 C C . VAL N 4 0.8522 1.2024 1.4754 -0.1968 -0.0556 -0.0807 5 VAL R C ? ? 1 +21294 O O . VAL N 4 0.8738 1.2159 1.4916 -0.1940 -0.0499 -0.0753 5 VAL R O ? ? 1 +21295 N N . LEU N 5 0.8651 1.2062 1.4852 -0.2029 -0.0582 -0.0864 6 LEU R N ? ? 1 +21296 C CA . LEU N 5 0.8807 1.2013 1.4911 -0.2074 -0.0540 -0.0869 6 LEU R CA ? ? 1 +21297 C CB . LEU N 5 0.9006 1.2178 1.5139 -0.2170 -0.0576 -0.0944 6 LEU R CB ? ? 1 +21298 C CG . LEU N 5 0.9240 1.2212 1.5301 -0.2244 -0.0530 -0.0957 6 LEU R CG ? ? 1 +21299 C CD1 . LEU N 5 0.9343 1.2103 1.5219 -0.2189 -0.0526 -0.0956 6 LEU R CD1 ? ? 1 +21300 C CD2 . LEU N 5 0.9208 1.2155 1.5301 -0.2277 -0.0453 -0.0904 6 LEU R CD2 ? ? 1 +21301 C C . LEU N 5 0.8679 1.1718 1.4612 -0.1989 -0.0527 -0.0845 6 LEU R C ? ? 1 +21302 O O . LEU N 5 0.8635 1.1523 1.4482 -0.1985 -0.0472 -0.0811 6 LEU R O ? ? 1 +21303 N N . VAL N 6 0.8554 1.1621 1.4437 -0.1921 -0.0578 -0.0863 7 VAL R N ? ? 1 +21304 C CA . VAL N 6 0.8534 1.1474 1.4269 -0.1830 -0.0568 -0.0839 7 VAL R CA ? ? 1 +21305 C CB . VAL N 6 0.8370 1.1361 1.4068 -0.1775 -0.0633 -0.0874 7 VAL R CB ? ? 1 +21306 C CG1 . VAL N 6 0.8319 1.1245 1.3899 -0.1664 -0.0620 -0.0837 7 VAL R CG1 ? ? 1 +21307 C CG2 . VAL N 6 0.8435 1.1335 1.4088 -0.1831 -0.0675 -0.0944 7 VAL R CG2 ? ? 1 +21308 C C . VAL N 6 0.8500 1.1456 1.4217 -0.1755 -0.0520 -0.0766 7 VAL R C ? ? 1 +21309 O O . VAL N 6 0.8665 1.1479 1.4262 -0.1699 -0.0488 -0.0738 7 VAL R O ? ? 1 +21310 N N . VAL N 7 0.8301 1.1431 1.4139 -0.1752 -0.0516 -0.0737 8 VAL R N ? ? 1 +21311 C CA . VAL N 7 0.8233 1.1393 1.4066 -0.1686 -0.0474 -0.0670 8 VAL R CA ? ? 1 +21312 C CB . VAL N 7 0.7853 1.1229 1.3804 -0.1657 -0.0498 -0.0653 8 VAL R CB ? ? 1 +21313 C CG1 . VAL N 7 0.7675 1.1085 1.3634 -0.1603 -0.0452 -0.0586 8 VAL R CG1 ? ? 1 +21314 C CG2 . VAL N 7 0.7801 1.1238 1.3726 -0.1597 -0.0554 -0.0677 8 VAL R CG2 ? ? 1 +21315 C C . VAL N 7 0.8501 1.1580 1.4335 -0.1727 -0.0410 -0.0634 8 VAL R C ? ? 1 +21316 O O . VAL N 7 0.8827 1.1816 1.4579 -0.1670 -0.0370 -0.0587 8 VAL R O ? ? 1 +21317 N N . LEU N 8 0.8549 1.1665 1.4476 -0.1825 -0.0401 -0.0656 9 LEU R N ? ? 1 +21318 C CA . LEU N 8 0.8694 1.1729 1.4621 -0.1874 -0.0338 -0.0624 9 LEU R CA ? ? 1 +21319 C CB . LEU N 8 0.8835 1.1970 1.4902 -0.1982 -0.0335 -0.0653 9 LEU R CB ? ? 1 +21320 C CG . LEU N 8 0.8767 1.2119 1.4980 -0.1982 -0.0340 -0.0634 9 LEU R CG ? ? 1 +21321 C CD1 . LEU N 8 0.8749 1.2163 1.5084 -0.2090 -0.0318 -0.0655 9 LEU R CD1 ? ? 1 +21322 C CD2 . LEU N 8 0.8753 1.2120 1.4939 -0.1906 -0.0300 -0.0563 9 LEU R CD2 ? ? 1 +21323 C C . LEU N 8 0.8838 1.1637 1.4622 -0.1885 -0.0306 -0.0627 9 LEU R C ? ? 1 +21324 O O . LEU N 8 0.8640 1.1333 1.4363 -0.1872 -0.0251 -0.0582 9 LEU R O ? ? 1 +21325 N N . LEU N 9 0.9184 1.1898 1.4913 -0.1908 -0.0342 -0.0681 10 LEU R N ? ? 1 +21326 C CA . LEU N 9 0.9553 1.2042 1.5155 -0.1935 -0.0316 -0.0695 10 LEU R CA ? ? 1 +21327 C CB . LEU N 9 0.9814 1.2256 1.5377 -0.1957 -0.0371 -0.0764 10 LEU R CB ? ? 1 +21328 C CG . LEU N 9 1.0214 1.2418 1.5631 -0.1975 -0.0358 -0.0789 10 LEU R CG ? ? 1 +21329 C CD1 . LEU N 9 1.0331 1.2528 1.5732 -0.1998 -0.0420 -0.0859 10 LEU R CD1 ? ? 1 +21330 C CD2 . LEU N 9 1.0292 1.2352 1.5560 -0.1874 -0.0330 -0.0746 10 LEU R CD2 ? ? 1 +21331 C C . LEU N 9 0.9555 1.1897 1.5019 -0.1847 -0.0276 -0.0643 10 LEU R C ? ? 1 +21332 O O . LEU N 9 0.9847 1.2040 1.5245 -0.1872 -0.0224 -0.0619 10 LEU R O ? ? 1 +21333 N N . PRO N 10 0.9233 1.1610 1.4648 -0.1742 -0.0296 -0.0622 11 PRO R N ? ? 1 +21334 C CA . PRO N 10 0.9262 1.1521 1.4562 -0.1656 -0.0258 -0.0571 11 PRO R CA ? ? 1 +21335 C CB . PRO N 10 0.9049 1.1409 1.4342 -0.1556 -0.0294 -0.0563 11 PRO R CB ? ? 1 +21336 C CG . PRO N 10 0.9019 1.1475 1.4369 -0.1591 -0.0352 -0.0622 11 PRO R CG ? ? 1 +21337 C CD . PRO N 10 0.9007 1.1529 1.4470 -0.1702 -0.0355 -0.0649 11 PRO R CD ? ? 1 +21338 C C . PRO N 10 0.9338 1.1611 1.4667 -0.1655 -0.0205 -0.0512 11 PRO R C ? ? 1 +21339 O O . PRO N 10 0.9337 1.1455 1.4562 -0.1624 -0.0163 -0.0478 11 PRO R O ? ? 1 +21340 N N . VAL N 11 0.9294 1.1749 1.4762 -0.1687 -0.0208 -0.0500 12 VAL R N ? ? 1 +21341 C CA . VAL N 11 0.9316 1.1797 1.4821 -0.1693 -0.0159 -0.0448 12 VAL R CA ? ? 1 +21342 C CB . VAL N 11 0.9163 1.1879 1.4826 -0.1707 -0.0175 -0.0439 12 VAL R CB ? ? 1 +21343 C CG1 . VAL N 11 0.9128 1.1866 1.4829 -0.1723 -0.0122 -0.0388 12 VAL R CG1 ? ? 1 +21344 C CG2 . VAL N 11 0.9035 1.1880 1.4716 -0.1616 -0.0216 -0.0430 12 VAL R CG2 ? ? 1 +21345 C C . VAL N 11 0.9619 1.1962 1.5098 -0.1783 -0.0112 -0.0450 12 VAL R C ? ? 1 +21346 O O . VAL N 11 0.9713 1.1949 1.5125 -0.1765 -0.0062 -0.0404 12 VAL R O ? ? 1 +21347 N N . LEU N 12 0.9731 1.2081 1.5267 -0.1880 -0.0128 -0.0504 13 LEU R N ? ? 1 +21348 C CA . LEU N 12 0.9935 1.2167 1.5463 -0.1978 -0.0084 -0.0513 13 LEU R CA ? ? 1 +21349 C CB . LEU N 12 1.0087 1.2401 1.5725 -0.2085 -0.0115 -0.0579 13 LEU R CB ? ? 1 +21350 C CG . LEU N 12 1.0054 1.2614 1.5873 -0.2120 -0.0136 -0.0587 13 LEU R CG ? ? 1 +21351 C CD1 . LEU N 12 1.0106 1.2720 1.6028 -0.2233 -0.0158 -0.0651 13 LEU R CD1 ? ? 1 +21352 C CD2 . LEU N 12 0.9997 1.2612 1.5867 -0.2122 -0.0081 -0.0530 13 LEU R CD2 ? ? 1 +21353 C C . LEU N 12 1.0071 1.2046 1.5428 -0.1965 -0.0053 -0.0508 13 LEU R C ? ? 1 +21354 O O . LEU N 12 1.0082 1.1929 1.5385 -0.1995 0.0003 -0.0478 13 LEU R O ? ? 1 +21355 N N . LEU N 13 1.0098 1.1993 1.5366 -0.1917 -0.0090 -0.0536 14 LEU R N ? ? 1 +21356 C CA . LEU N 13 1.0236 1.1889 1.5336 -0.1890 -0.0066 -0.0532 14 LEU R CA ? ? 1 +21357 C CB . LEU N 13 1.0330 1.1930 1.5359 -0.1853 -0.0116 -0.0580 14 LEU R CB ? ? 1 +21358 C CG . LEU N 13 1.0402 1.2042 1.5494 -0.1942 -0.0160 -0.0652 14 LEU R CG ? ? 1 +21359 C CD1 . LEU N 13 1.0504 1.2065 1.5499 -0.1893 -0.0204 -0.0692 14 LEU R CD1 ? ? 1 +21360 C CD2 . LEU N 13 1.0550 1.2067 1.5638 -0.2058 -0.0125 -0.0676 14 LEU R CD2 ? ? 1 +21361 C C . LEU N 13 1.0165 1.1738 1.5168 -0.1793 -0.0029 -0.0466 14 LEU R C ? ? 1 +21362 O O . LEU N 13 1.0479 1.1845 1.5346 -0.1775 0.0004 -0.0451 14 LEU R O ? ? 1 +21363 N N . ALA N 14 0.9855 1.1593 1.4928 -0.1728 -0.0037 -0.0428 15 ALA R N ? ? 1 +21364 C CA . ALA N 14 0.9609 1.1302 1.4616 -0.1644 -0.0003 -0.0365 15 ALA R CA ? ? 1 +21365 C CB . ALA N 14 0.9287 1.1166 1.4360 -0.1558 -0.0034 -0.0344 15 ALA R CB ? ? 1 +21366 C C . ALA N 14 0.9599 1.1265 1.4627 -0.1695 0.0053 -0.0325 15 ALA R C ? ? 1 +21367 O O . ALA N 14 0.9690 1.1209 1.4610 -0.1656 0.0093 -0.0283 15 ALA R O ? ? 1 +21368 N N . ALA N 15 0.9455 1.1264 1.4621 -0.1780 0.0054 -0.0340 16 ALA R N ? ? 1 +21369 C CA . ALA N 15 0.9328 1.1120 1.4526 -0.1844 0.0109 -0.0310 16 ALA R CA ? ? 1 +21370 C CB . ALA N 15 0.9101 1.1096 1.4475 -0.1926 0.0097 -0.0334 16 ALA R CB ? ? 1 +21371 C C . ALA N 15 0.9516 1.1074 1.4605 -0.1909 0.0153 -0.0317 16 ALA R C ? ? 1 +21372 O O . ALA N 15 0.9536 1.0980 1.4558 -0.1911 0.0207 -0.0273 16 ALA R O ? ? 1 +21373 N N . GLY N 16 0.9631 1.1114 1.4699 -0.1963 0.0130 -0.0374 17 GLY R N ? ? 1 +21374 C CA . GLY N 16 0.9878 1.1138 1.4845 -0.2032 0.0169 -0.0389 17 GLY R CA ? ? 1 +21375 C C . GLY N 16 1.0080 1.1112 1.4858 -0.1951 0.0191 -0.0357 17 GLY R C ? ? 1 +21376 O O . GLY N 16 1.0276 1.1123 1.4957 -0.1982 0.0245 -0.0334 17 GLY R O ? ? 1 +21377 N N . TRP N 17 1.0164 1.1213 1.4892 -0.1847 0.0151 -0.0356 18 TRP R N ? ? 1 +21378 C CA . TRP N 17 1.0337 1.1197 1.4897 -0.1754 0.0165 -0.0327 18 TRP R CA ? ? 1 +21379 C CB . TRP N 17 1.0331 1.1258 1.4874 -0.1653 0.0112 -0.0341 18 TRP R CB ? ? 1 +21380 C CG . TRP N 17 1.0527 1.1279 1.4909 -0.1550 0.0125 -0.0312 18 TRP R CG ? ? 1 +21381 C CD1 . TRP N 17 1.0465 1.1266 1.4822 -0.1436 0.0121 -0.0268 18 TRP R CD1 ? ? 1 +21382 N NE1 . TRP N 17 1.0634 1.1236 1.4832 -0.1362 0.0134 -0.0255 18 TRP R NE1 ? ? 1 +21383 C CE2 . TRP N 17 1.0928 1.1339 1.5040 -0.1429 0.0148 -0.0289 18 TRP R CE2 ? ? 1 +21384 C CZ2 . TRP N 17 1.1149 1.1317 1.5093 -0.1392 0.0165 -0.0292 18 TRP R CZ2 ? ? 1 +21385 C CH2 . TRP N 17 1.1327 1.1335 1.5214 -0.1483 0.0178 -0.0333 18 TRP R CH2 ? ? 1 +21386 C CZ3 . TRP N 17 1.1243 1.1337 1.5243 -0.1608 0.0172 -0.0371 18 TRP R CZ3 ? ? 1 +21387 C CE3 . TRP N 17 1.0973 1.1313 1.5143 -0.1641 0.0155 -0.0369 18 TRP R CE3 ? ? 1 +21388 C CD2 . TRP N 17 1.0816 1.1316 1.5042 -0.1550 0.0143 -0.0327 18 TRP R CD2 ? ? 1 +21389 C C . TRP N 17 1.0305 1.1121 1.4812 -0.1697 0.0209 -0.0258 18 TRP R C ? ? 1 +21390 O O . TRP N 17 1.0346 1.0953 1.4708 -0.1665 0.0243 -0.0232 18 TRP R O ? ? 1 +21391 N N . ALA N 18 1.0160 1.1176 1.4784 -0.1679 0.0205 -0.0229 19 ALA R N ? ? 1 +21392 C CA . ALA N 18 1.0164 1.1162 1.4755 -0.1634 0.0245 -0.0165 19 ALA R CA ? ? 1 +21393 C CB . ALA N 18 0.9790 1.1039 1.4523 -0.1605 0.0224 -0.0145 19 ALA R CB ? ? 1 +21394 C C . ALA N 18 1.0474 1.1339 1.5028 -0.1723 0.0307 -0.0147 19 ALA R C ? ? 1 +21395 O O . ALA N 18 1.0482 1.1189 1.4915 -0.1683 0.0347 -0.0102 19 ALA R O ? ? 1 +21396 N N . VAL N 19 1.0520 1.1454 1.5181 -0.1841 0.0314 -0.0183 20 VAL R N ? ? 1 +21397 C CA . VAL N 19 1.0849 1.1667 1.5491 -0.1941 0.0375 -0.0175 20 VAL R CA ? ? 1 +21398 C CB . VAL N 19 1.0796 1.1757 1.5599 -0.2067 0.0369 -0.0226 20 VAL R CB ? ? 1 +21399 C CG1 . VAL N 19 1.0912 1.1698 1.5669 -0.2184 0.0420 -0.0246 20 VAL R CG1 ? ? 1 +21400 C CG2 . VAL N 19 1.0520 1.1709 1.5475 -0.2080 0.0374 -0.0203 20 VAL R CG2 ? ? 1 +21401 C C . VAL N 19 1.1340 1.1869 1.5804 -0.1951 0.0408 -0.0176 20 VAL R C ? ? 1 +21402 O O . VAL N 19 1.1511 1.1886 1.5878 -0.1960 0.0465 -0.0135 20 VAL R O ? ? 1 +21403 N N . ARG N 20 1.1571 1.2024 1.5988 -0.1950 0.0373 -0.0224 21 ARG R N ? ? 1 +21404 C CA . ARG N 20 1.1931 1.2109 1.6178 -0.1957 0.0398 -0.0231 21 ARG R CA ? ? 1 +21405 C CB . ARG N 20 1.2014 1.2166 1.6237 -0.1943 0.0345 -0.0289 21 ARG R CB ? ? 1 +21406 C CG . ARG N 20 1.2496 1.2386 1.6581 -0.1993 0.0369 -0.0316 21 ARG R CG ? ? 1 +21407 C CD . ARG N 20 1.2650 1.2515 1.6703 -0.1969 0.0315 -0.0372 21 ARG R CD ? ? 1 +21408 N NE . ARG N 20 1.2982 1.2611 1.6919 -0.2034 0.0335 -0.0407 21 ARG R NE ? ? 1 +21409 C CZ . ARG N 20 1.3069 1.2664 1.7056 -0.2167 0.0355 -0.0445 21 ARG R CZ ? ? 1 +21410 N NH1 . ARG N 20 1.2910 1.2711 1.7074 -0.2251 0.0348 -0.0463 21 ARG R NH1 ? ? 1 +21411 N NH2 . ARG N 20 1.3253 1.2601 1.7111 -0.2217 0.0382 -0.0466 21 ARG R NH2 ? ? 1 +21412 C C . ARG N 20 1.2122 1.2135 1.6207 -0.1851 0.0426 -0.0172 21 ARG R C ? ? 1 +21413 O O . ARG N 20 1.2590 1.2380 1.6545 -0.1876 0.0476 -0.0151 21 ARG R O ? ? 1 +21414 N N . ASN N 21 1.1838 1.1962 1.5932 -0.1733 0.0391 -0.0145 22 ASN R N ? ? 1 +21415 C CA . ASN N 21 1.1920 1.1919 1.5876 -0.1619 0.0406 -0.0092 22 ASN R CA ? ? 1 +21416 C CB . ASN N 21 1.1677 1.1795 1.5651 -0.1500 0.0350 -0.0094 22 ASN R CB ? ? 1 +21417 C CG . ASN N 21 1.1757 1.1813 1.5684 -0.1481 0.0313 -0.0144 22 ASN R CG ? ? 1 +21418 O OD1 . ASN N 21 1.1863 1.1767 1.5656 -0.1397 0.0310 -0.0136 22 ASN R OD1 ? ? 1 +21419 N ND2 . ASN N 21 1.1757 1.1932 1.5794 -0.1555 0.0282 -0.0198 22 ASN R ND2 ? ? 1 +21420 C C . ASN N 21 1.2051 1.2075 1.6008 -0.1601 0.0446 -0.0030 22 ASN R C ? ? 1 +21421 O O . ASN N 21 1.2226 1.2126 1.6058 -0.1512 0.0461 0.0015 22 ASN R O ? ? 1 +21422 N N . ILE N 22 1.1953 1.2141 1.6051 -0.1680 0.0460 -0.0029 23 ILE R N ? ? 1 +21423 C CA . ILE N 22 1.1854 1.2082 1.5962 -0.1666 0.0497 0.0027 23 ILE R CA ? ? 1 +21424 C CB . ILE N 22 1.1431 1.1940 1.5694 -0.1623 0.0458 0.0035 23 ILE R CB ? ? 1 +21425 C CG1 . ILE N 22 1.1381 1.1901 1.5599 -0.1537 0.0475 0.0100 23 ILE R CG1 ? ? 1 +21426 C CG2 . ILE N 22 1.1245 1.1946 1.5687 -0.1732 0.0459 0.0005 23 ILE R CG2 ? ? 1 +21427 C CD1 . ILE N 22 1.1439 1.1825 1.5508 -0.1408 0.0459 0.0127 23 ILE R CD1 ? ? 1 +21428 C C . ILE N 22 1.2245 1.2410 1.6368 -0.1785 0.0559 0.0035 23 ILE R C ? ? 1 +21429 O O . ILE N 22 1.2331 1.2471 1.6422 -0.1773 0.0599 0.0085 23 ILE R O ? ? 1 +21430 N N . LEU N 23 1.2521 1.2659 1.6691 -0.1899 0.0567 -0.0016 24 LEU R N ? ? 1 +21431 C CA . LEU N 23 1.2743 1.2842 1.6949 -0.2022 0.0627 -0.0016 24 LEU R CA ? ? 1 +21432 C CB . LEU N 23 1.2850 1.2931 1.7116 -0.2141 0.0622 -0.0084 24 LEU R CB ? ? 1 +21433 C CG . LEU N 23 1.2785 1.2874 1.7133 -0.2286 0.0678 -0.0098 24 LEU R CG ? ? 1 +21434 C CD1 . LEU N 23 1.3050 1.2869 1.7236 -0.2323 0.0754 -0.0063 24 LEU R CD1 ? ? 1 +21435 C CD2 . LEU N 23 1.2510 1.2845 1.7023 -0.2304 0.0683 -0.0080 24 LEU R CD2 ? ? 1 +21436 C C . LEU N 23 1.3177 1.3028 1.7211 -0.2017 0.0694 0.0035 24 LEU R C ? ? 1 +21437 O O . LEU N 23 1.3147 1.3019 1.7206 -0.2059 0.0743 0.0068 24 LEU R O ? ? 1 +21438 N N . PRO N 24 1.3516 1.3123 1.7366 -0.1961 0.0700 0.0045 25 PRO R N ? ? 1 +21439 C CA . PRO N 24 1.3869 1.3226 1.7545 -0.1958 0.0764 0.0093 25 PRO R CA ? ? 1 +21440 C CB . PRO N 24 1.4000 1.3133 1.7501 -0.1883 0.0747 0.0088 25 PRO R CB ? ? 1 +21441 C CG . PRO N 24 1.3777 1.3078 1.7358 -0.1807 0.0670 0.0056 25 PRO R CG ? ? 1 +21442 C CD . PRO N 24 1.3534 1.3088 1.7326 -0.1895 0.0647 0.0012 25 PRO R CD ? ? 1 +21443 C C . PRO N 24 1.4024 1.3426 1.7676 -0.1883 0.0783 0.0159 25 PRO R C ? ? 1 +21444 O O . PRO N 24 1.4319 1.3609 1.7907 -0.1927 0.0846 0.0195 25 PRO R O ? ? 1 +21445 N N . TYR N 25 1.3859 1.3427 1.7563 -0.1774 0.0730 0.0173 26 TYR R N ? ? 1 +21446 C CA . TYR N 25 1.3783 1.3414 1.7473 -0.1696 0.0738 0.0232 26 TYR R CA ? ? 1 +21447 C CB . TYR N 25 1.3693 1.3404 1.7367 -0.1552 0.0677 0.0245 26 TYR R CB ? ? 1 +21448 C CG . TYR N 25 1.3984 1.3532 1.7535 -0.1489 0.0649 0.0225 26 TYR R CG ? ? 1 +21449 C CD1 . TYR N 25 1.4179 1.3793 1.7799 -0.1512 0.0607 0.0167 26 TYR R CD1 ? ? 1 +21450 C CD2 . TYR N 25 1.4122 1.3447 1.7483 -0.1403 0.0665 0.0263 26 TYR R CD2 ? ? 1 +21451 C CE1 . TYR N 25 1.4346 1.3809 1.7850 -0.1453 0.0584 0.0147 26 TYR R CE1 ? ? 1 +21452 C CE2 . TYR N 25 1.4339 1.3514 1.7587 -0.1342 0.0641 0.0244 26 TYR R CE2 ? ? 1 +21453 C CZ . TYR N 25 1.4440 1.3684 1.7760 -0.1368 0.0602 0.0186 26 TYR R CZ ? ? 1 +21454 O OH . TYR N 25 1.4584 1.3677 1.7789 -0.1305 0.0581 0.0167 26 TYR R OH ? ? 1 +21455 C C . TYR N 25 1.3646 1.3514 1.7513 -0.1758 0.0747 0.0234 26 TYR R C ? ? 1 +21456 O O . TYR N 25 1.3586 1.3476 1.7438 -0.1735 0.0776 0.0281 26 TYR R O ? ? 1 +21457 N N . ALA N 26 1.3535 1.3582 1.7567 -0.1833 0.0720 0.0180 27 ALA R N ? ? 1 +21458 C CA . ALA N 26 1.3280 1.3550 1.7489 -0.1903 0.0729 0.0174 27 ALA R CA ? ? 1 +21459 C CB . ALA N 26 1.3057 1.3524 1.7434 -0.1952 0.0677 0.0111 27 ALA R CB ? ? 1 +21460 C C . ALA N 26 1.3485 1.3656 1.7679 -0.2016 0.0806 0.0186 27 ALA R C ? ? 1 +21461 O O . ALA N 26 1.3362 1.3615 1.7600 -0.2025 0.0838 0.0220 27 ALA R O ? ? 1 +21462 N N . VAL N 27 1.3801 1.3793 1.7930 -0.2101 0.0839 0.0157 28 VAL R N ? ? 1 +21463 C CA . VAL N 27 1.4057 1.3932 1.8159 -0.2212 0.0918 0.0168 28 VAL R CA ? ? 1 +21464 C CB . VAL N 27 1.3934 1.3659 1.8012 -0.2328 0.0945 0.0119 28 VAL R CB ? ? 1 +21465 C CG1 . VAL N 27 1.3607 1.3542 1.7879 -0.2402 0.0899 0.0049 28 VAL R CG1 ? ? 1 +21466 C CG2 . VAL N 27 1.4063 1.3525 1.7945 -0.2273 0.0937 0.0120 28 VAL R CG2 ? ? 1 +21467 C C . VAL N 27 1.4255 1.3931 1.8177 -0.2157 0.0971 0.0236 28 VAL R C ? ? 1 +21468 O O . VAL N 27 1.4719 1.4345 1.8631 -0.2228 0.1039 0.0260 28 VAL R O ? ? 1 +21469 N N . LYS N 28 1.3825 1.3389 1.7606 -0.2031 0.0941 0.0266 29 LYS R N ? ? 1 +21470 C CA . LYS N 28 1.3731 1.3109 1.7335 -0.1962 0.0981 0.0331 29 LYS R CA ? ? 1 +21471 C CB . LYS N 28 1.4031 1.3204 1.7454 -0.1856 0.0953 0.0342 29 LYS R CB ? ? 1 +21472 C CG . LYS N 28 1.4427 1.3392 1.7761 -0.1919 0.0967 0.0303 29 LYS R CG ? ? 1 +21473 C CD . LYS N 28 1.4769 1.3491 1.7980 -0.2012 0.1051 0.0321 29 LYS R CD ? ? 1 +21474 C CE . LYS N 28 1.4978 1.3459 1.7970 -0.1928 0.1085 0.0384 29 LYS R CE ? ? 1 +21475 N NZ . LYS N 28 1.5223 1.3557 1.8144 -0.2019 0.1173 0.0414 29 LYS R NZ ? ? 1 +21476 C C . LYS N 28 1.3286 1.2828 1.6940 -0.1886 0.0969 0.0376 29 LYS R C ? ? 1 +21477 O O . LYS N 28 1.3259 1.2676 1.6789 -0.1849 0.1009 0.0430 29 LYS R O ? ? 1 +21478 N N . GLN N 29 1.2929 1.2745 1.6758 -0.1862 0.0913 0.0353 30 GLN R N ? ? 1 +21479 C CA . GLN N 29 1.2448 1.2447 1.6353 -0.1807 0.0901 0.0387 30 GLN R CA ? ? 1 +21480 C CB . GLN N 29 1.1780 1.2009 1.5809 -0.1730 0.0820 0.0364 30 GLN R CB ? ? 1 +21481 C CG . GLN N 29 1.1302 1.1689 1.5377 -0.1649 0.0801 0.0404 30 GLN R CG ? ? 1 +21482 C CD . GLN N 29 1.0692 1.1348 1.4939 -0.1618 0.0735 0.0373 30 GLN R CD ? ? 1 +21483 O OE1 . GLN N 29 1.0532 1.1219 1.4801 -0.1586 0.0684 0.0338 30 GLN R OE1 ? ? 1 +21484 N NE2 . GLN N 29 1.0282 1.1133 1.4649 -0.1626 0.0736 0.0386 30 GLN R NE2 ? ? 1 +21485 C C . GLN N 29 1.2643 1.2769 1.6675 -0.1913 0.0949 0.0386 30 GLN R C ? ? 1 +21486 O O . GLN N 29 1.2482 1.2629 1.6494 -0.1892 0.0980 0.0431 30 GLN R O ? ? 1 +21487 N N . VAL N 30 1.2855 1.3074 1.7022 -0.2025 0.0953 0.0332 31 VAL R N ? ? 1 +21488 C CA . VAL N 30 1.2912 1.3235 1.7201 -0.2138 0.1004 0.0324 31 VAL R CA ? ? 1 +21489 C CB . VAL N 30 1.2962 1.3421 1.7421 -0.2247 0.0986 0.0254 31 VAL R CB ? ? 1 +21490 C CG1 . VAL N 30 1.3193 1.3453 1.7564 -0.2299 0.0993 0.0219 31 VAL R CG1 ? ? 1 +21491 C CG2 . VAL N 30 1.2879 1.3458 1.7474 -0.2362 0.1041 0.0245 31 VAL R CG2 ? ? 1 +21492 C C . VAL N 30 1.3276 1.3372 1.7426 -0.2195 0.1093 0.0361 31 VAL R C ? ? 1 +21493 O O . VAL N 30 1.3359 1.3513 1.7547 -0.2230 0.1141 0.0388 31 VAL R O ? ? 1 +21494 N N . GLN N 31 1.3502 1.3335 1.7486 -0.2204 0.1117 0.0363 32 GLN R N ? ? 1 +21495 C CA . GLN N 31 1.3839 1.3430 1.7672 -0.2256 0.1203 0.0399 32 GLN R CA ? ? 1 +21496 C CB . GLN N 31 1.4061 1.3372 1.7728 -0.2271 0.1217 0.0386 32 GLN R CB ? ? 1 +21497 C CG . GLN N 31 1.4037 1.3297 1.7765 -0.2424 0.1263 0.0338 32 GLN R CG ? ? 1 +21498 C CD . GLN N 31 1.4226 1.3269 1.7832 -0.2434 0.1253 0.0310 32 GLN R CD ? ? 1 +21499 O OE1 . GLN N 31 1.4372 1.3172 1.7774 -0.2365 0.1266 0.0346 32 GLN R OE1 ? ? 1 +21500 N NE2 . GLN N 31 1.4234 1.3359 1.7962 -0.2516 0.1228 0.0245 32 GLN R NE2 ? ? 1 +21501 C C . GLN N 31 1.3714 1.3230 1.7419 -0.2166 0.1227 0.0469 32 GLN R C ? ? 1 +21502 O O . GLN N 31 1.3766 1.3247 1.7452 -0.2219 0.1295 0.0499 32 GLN R O ? ? 1 +21503 N N . LYS N 32 1.3580 1.3074 1.7199 -0.2030 0.1170 0.0494 33 LYS R N ? ? 1 +21504 C CA . LYS N 32 1.3473 1.2925 1.6983 -0.1929 0.1176 0.0556 33 LYS R CA ? ? 1 +21505 C CB . LYS N 32 1.3376 1.2845 1.6832 -0.1783 0.1097 0.0564 33 LYS R CB ? ? 1 +21506 C CG . LYS N 32 1.3640 1.2819 1.6861 -0.1707 0.1106 0.0597 33 LYS R CG ? ? 1 +21507 C CD . LYS N 32 1.3627 1.2781 1.6824 -0.1635 0.1039 0.0565 33 LYS R CD ? ? 1 +21508 C CE . LYS N 32 1.3579 1.2634 1.6630 -0.1486 0.1003 0.0605 33 LYS R CE ? ? 1 +21509 N NZ . LYS N 32 1.3327 1.2630 1.6496 -0.1401 0.0945 0.0613 33 LYS R NZ ? ? 1 +21510 C C . LYS N 32 1.3126 1.2793 1.6763 -0.1939 0.1188 0.0575 33 LYS R C ? ? 1 +21511 O O . LYS N 32 1.2860 1.2455 1.6395 -0.1894 0.1220 0.0628 33 LYS R O ? ? 1 +21512 N N . LEU N 33 1.2965 1.2891 1.6818 -0.1992 0.1160 0.0531 34 LEU R N ? ? 1 +21513 C CA . LEU N 33 1.2775 1.2918 1.6762 -0.2006 0.1168 0.0543 34 LEU R CA ? ? 1 +21514 C CB . LEU N 33 1.2153 1.2579 1.6334 -0.1974 0.1089 0.0503 34 LEU R CB ? ? 1 +21515 C CG . LEU N 33 1.1716 1.2380 1.6031 -0.1958 0.1079 0.0516 34 LEU R CG ? ? 1 +21516 C CD1 . LEU N 33 1.1751 1.2348 1.5939 -0.1859 0.1088 0.0579 34 LEU R CD1 ? ? 1 +21517 C CD2 . LEU N 33 1.1348 1.2257 1.5827 -0.1920 0.0999 0.0478 34 LEU R CD2 ? ? 1 +21518 C C . LEU N 33 1.3232 1.3385 1.7291 -0.2144 0.1248 0.0533 34 LEU R C ? ? 1 +21519 O O . LEU N 33 1.3221 1.3590 1.7443 -0.2184 0.1252 0.0522 34 LEU R O ? ? 1 +21520 N N . LEU N 34 1.3754 1.3668 1.7689 -0.2215 0.1313 0.0538 35 LEU R N ? ? 1 +21521 C CA . LEU N 34 1.3987 1.3887 1.7978 -0.2352 0.1395 0.0527 35 LEU R CA ? ? 1 +21522 C CB . LEU N 34 1.3991 1.3922 1.8095 -0.2462 0.1390 0.0460 35 LEU R CB ? ? 1 +21523 C CG . LEU N 34 1.3626 1.3842 1.7947 -0.2459 0.1309 0.0405 35 LEU R CG ? ? 1 +21524 C CD1 . LEU N 34 1.3592 1.3788 1.7977 -0.2547 0.1295 0.0340 35 LEU R CD1 ? ? 1 +21525 C CD2 . LEU N 34 1.3220 1.3694 1.7729 -0.2500 0.1320 0.0398 35 LEU R CD2 ? ? 1 +21526 C C . LEU N 34 1.4295 1.3905 1.8071 -0.2366 0.1479 0.0579 35 LEU R C ? ? 1 +21527 O O . LEU N 34 1.4392 1.3822 1.7981 -0.2266 0.1466 0.0620 35 LEU R O ? ? 1 +21528 O OXT . LEU N 34 1.4476 1.4032 1.8263 -0.2475 0.1559 0.0579 35 LEU R OXT ? ? 1 +21529 N N . FME O 1 0.2157 0.8827 0.9314 -0.0452 -0.0211 0.0321 1 FME T N ? ? 1 +21530 C CN . FME O 1 0.2097 0.8797 0.9292 -0.0464 -0.0200 0.0310 1 FME T CN ? ? 1 +21531 O O1 . FME O 1 0.2045 0.8792 0.9285 -0.0458 -0.0210 0.0302 1 FME T O1 ? ? 1 +21532 C CA . FME O 1 0.2136 0.8823 0.9300 -0.0436 -0.0235 0.0327 1 FME T CA ? ? 1 +21533 C CB . FME O 1 0.2239 0.8887 0.9358 -0.0429 -0.0239 0.0337 1 FME T CB ? ? 1 +21534 C CG . FME O 1 0.2508 0.9157 0.9620 -0.0408 -0.0253 0.0349 1 FME T CG ? ? 1 +21535 S SD . FME O 1 0.2824 0.9428 0.9887 -0.0399 -0.0249 0.0360 1 FME T SD ? ? 1 +21536 C CE . FME O 1 0.2732 0.9312 0.9771 -0.0409 -0.0248 0.0353 1 FME T CE ? ? 1 +21537 C C . FME O 1 0.1865 0.8574 0.9049 -0.0417 -0.0244 0.0334 1 FME T C ? ? 1 +21538 O O . FME O 1 0.1909 0.8649 0.9120 -0.0408 -0.0259 0.0331 1 FME T O ? ? 1 +21539 N N . GLU O 2 0.1507 0.8202 0.8682 -0.0416 -0.0231 0.0336 2 GLU T N ? ? 1 +21540 C CA . GLU O 2 0.1392 0.8103 0.8584 -0.0399 -0.0240 0.0341 2 GLU T CA ? ? 1 +21541 C CB . GLU O 2 0.1550 0.8231 0.8714 -0.0392 -0.0235 0.0349 2 GLU T CB ? ? 1 +21542 C CG . GLU O 2 0.1755 0.8416 0.8902 -0.0401 -0.0215 0.0345 2 GLU T CG ? ? 1 +21543 C CD . GLU O 2 0.2037 0.8664 0.9150 -0.0414 -0.0202 0.0344 2 GLU T CD ? ? 1 +21544 O OE1 . GLU O 2 0.2243 0.8868 0.9352 -0.0420 -0.0207 0.0344 2 GLU T OE1 ? ? 1 +21545 O OE2 . GLU O 2 0.2289 0.8887 0.9375 -0.0419 -0.0186 0.0343 2 GLU T OE2 ? ? 1 +21546 C C . GLU O 2 0.1161 0.7910 0.8396 -0.0399 -0.0237 0.0330 2 GLU T C ? ? 1 +21547 O O . GLU O 2 0.1033 0.7805 0.8289 -0.0385 -0.0251 0.0331 2 GLU T O ? ? 1 +21548 N N . THR O 3 0.1068 0.7824 0.8315 -0.0415 -0.0218 0.0319 3 THR T N ? ? 1 +21549 C CA . THR O 3 0.0973 0.7774 0.8270 -0.0416 -0.0214 0.0305 3 THR T CA ? ? 1 +21550 C CB . THR O 3 0.1006 0.7810 0.8314 -0.0439 -0.0187 0.0293 3 THR T CB ? ? 1 +21551 O OG1 . THR O 3 0.1028 0.7789 0.8295 -0.0441 -0.0167 0.0300 3 THR T OG1 ? ? 1 +21552 C CG2 . THR O 3 0.1008 0.7868 0.8376 -0.0439 -0.0180 0.0276 3 THR T CG2 ? ? 1 +21553 C C . THR O 3 0.0883 0.7722 0.8212 -0.0410 -0.0236 0.0299 3 THR T C ? ? 1 +21554 O O . THR O 3 0.0849 0.7718 0.8207 -0.0393 -0.0249 0.0296 3 THR T O ? ? 1 +21555 N N . ILE O 4 0.0843 0.7675 0.8160 -0.0422 -0.0243 0.0297 4 ILE T N ? ? 1 +21556 C CA . ILE O 4 0.0809 0.7672 0.8148 -0.0417 -0.0267 0.0290 4 ILE T CA ? ? 1 +21557 C CB . ILE O 4 0.0851 0.7696 0.8167 -0.0433 -0.0270 0.0287 4 ILE T CB ? ? 1 +21558 C CG1 . ILE O 4 0.0884 0.7730 0.8213 -0.0463 -0.0249 0.0273 4 ILE T CG1 ? ? 1 +21559 C CG2 . ILE O 4 0.0860 0.7729 0.8188 -0.0423 -0.0299 0.0282 4 ILE T CG2 ? ? 1 +21560 C CD1 . ILE O 4 0.0908 0.7714 0.8199 -0.0480 -0.0246 0.0273 4 ILE T CD1 ? ? 1 +21561 C C . ILE O 4 0.0749 0.7610 0.8077 -0.0390 -0.0288 0.0303 4 ILE T C ? ? 1 +21562 O O . ILE O 4 0.0736 0.7630 0.8092 -0.0375 -0.0305 0.0297 4 ILE T O ? ? 1 +21563 N N . THR O 5 0.0680 0.7500 0.7966 -0.0383 -0.0286 0.0320 5 THR T N ? ? 1 +21564 C CA . THR O 5 0.0634 0.7444 0.7906 -0.0362 -0.0301 0.0332 5 THR T CA ? ? 1 +21565 C CB . THR O 5 0.0620 0.7391 0.7854 -0.0361 -0.0294 0.0348 5 THR T CB ? ? 1 +21566 O OG1 . THR O 5 0.0618 0.7371 0.7828 -0.0372 -0.0292 0.0349 5 THR T OG1 ? ? 1 +21567 C CG2 . THR O 5 0.0609 0.7370 0.7830 -0.0344 -0.0305 0.0360 5 THR T CG2 ? ? 1 +21568 C C . THR O 5 0.0608 0.7437 0.7905 -0.0346 -0.0303 0.0331 5 THR T C ? ? 1 +21569 O O . THR O 5 0.0603 0.7443 0.7906 -0.0329 -0.0320 0.0332 5 THR T O ? ? 1 +21570 N N . TYR O 6 0.0599 0.7424 0.7903 -0.0351 -0.0286 0.0329 6 TYR T N ? ? 1 +21571 C CA . TYR O 6 0.0612 0.7447 0.7934 -0.0334 -0.0286 0.0327 6 TYR T CA ? ? 1 +21572 C CB . TYR O 6 0.0617 0.7440 0.7937 -0.0342 -0.0263 0.0324 6 TYR T CB ? ? 1 +21573 C CG . TYR O 6 0.0630 0.7410 0.7909 -0.0349 -0.0256 0.0335 6 TYR T CG ? ? 1 +21574 C CD1 . TYR O 6 0.0631 0.7386 0.7885 -0.0341 -0.0267 0.0349 6 TYR T CD1 ? ? 1 +21575 C CD2 . TYR O 6 0.0642 0.7405 0.7906 -0.0363 -0.0236 0.0332 6 TYR T CD2 ? ? 1 +21576 C CE1 . TYR O 6 0.0637 0.7361 0.7861 -0.0347 -0.0262 0.0356 6 TYR T CE1 ? ? 1 +21577 C CE2 . TYR O 6 0.0639 0.7365 0.7866 -0.0366 -0.0233 0.0341 6 TYR T CE2 ? ? 1 +21578 C CZ . TYR O 6 0.0646 0.7357 0.7857 -0.0357 -0.0248 0.0352 6 TYR T CZ ? ? 1 +21579 O OH . TYR O 6 0.0672 0.7352 0.7851 -0.0359 -0.0247 0.0358 6 TYR T OH ? ? 1 +21580 C C . TYR O 6 0.0630 0.7512 0.7996 -0.0325 -0.0296 0.0312 6 TYR T C ? ? 1 +21581 O O . TYR O 6 0.0626 0.7514 0.7999 -0.0302 -0.0309 0.0314 6 TYR T O ? ? 1 +21582 N N . VAL O 7 0.0646 0.7560 0.8041 -0.0341 -0.0291 0.0297 7 VAL T N ? ? 1 +21583 C CA . VAL O 7 0.0692 0.7662 0.8140 -0.0333 -0.0301 0.0280 7 VAL T CA ? ? 1 +21584 C CB . VAL O 7 0.0684 0.7689 0.8170 -0.0361 -0.0285 0.0260 7 VAL T CB ? ? 1 +21585 C CG1 . VAL O 7 0.0693 0.7765 0.8243 -0.0352 -0.0299 0.0239 7 VAL T CG1 ? ? 1 +21586 C CG2 . VAL O 7 0.0684 0.7673 0.8166 -0.0376 -0.0251 0.0259 7 VAL T CG2 ? ? 1 +21587 C C . VAL O 7 0.0746 0.7724 0.8188 -0.0317 -0.0332 0.0281 7 VAL T C ? ? 1 +21588 O O . VAL O 7 0.0793 0.7801 0.8260 -0.0294 -0.0351 0.0274 7 VAL T O ? ? 1 +21589 N N . PHE O 8 0.0786 0.7735 0.8190 -0.0327 -0.0339 0.0290 8 PHE T N ? ? 1 +21590 C CA . PHE O 8 0.0826 0.7773 0.8213 -0.0312 -0.0366 0.0293 8 PHE T CA ? ? 1 +21591 C CB . PHE O 8 0.0876 0.7785 0.8218 -0.0326 -0.0365 0.0303 8 PHE T CB ? ? 1 +21592 C CG . PHE O 8 0.0940 0.7837 0.8252 -0.0309 -0.0389 0.0309 8 PHE T CG ? ? 1 +21593 C CD1 . PHE O 8 0.0975 0.7904 0.8304 -0.0304 -0.0413 0.0294 8 PHE T CD1 ? ? 1 +21594 C CD2 . PHE O 8 0.0979 0.7832 0.8243 -0.0298 -0.0388 0.0330 8 PHE T CD2 ? ? 1 +21595 C CE1 . PHE O 8 0.1028 0.7939 0.8320 -0.0287 -0.0436 0.0299 8 PHE T CE1 ? ? 1 +21596 C CE2 . PHE O 8 0.1029 0.7864 0.8258 -0.0282 -0.0407 0.0336 8 PHE T CE2 ? ? 1 +21597 C CZ . PHE O 8 0.1050 0.7912 0.8289 -0.0275 -0.0431 0.0321 8 PHE T CZ ? ? 1 +21598 C C . PHE O 8 0.0826 0.7754 0.8192 -0.0282 -0.0379 0.0306 8 PHE T C ? ? 1 +21599 O O . PHE O 8 0.0849 0.7798 0.8225 -0.0259 -0.0403 0.0301 8 PHE T O ? ? 1 +21600 N N . ILE O 9 0.0795 0.7682 0.8131 -0.0280 -0.0365 0.0323 9 ILE T N ? ? 1 +21601 C CA . ILE O 9 0.0799 0.7657 0.8109 -0.0256 -0.0373 0.0337 9 ILE T CA ? ? 1 +21602 C CB . ILE O 9 0.0784 0.7597 0.8063 -0.0264 -0.0354 0.0353 9 ILE T CB ? ? 1 +21603 C CG1 . ILE O 9 0.0781 0.7571 0.8029 -0.0281 -0.0349 0.0362 9 ILE T CG1 ? ? 1 +21604 C CG2 . ILE O 9 0.0807 0.7588 0.8062 -0.0243 -0.0360 0.0365 9 ILE T CG2 ? ? 1 +21605 C CD1 . ILE O 9 0.0781 0.7539 0.8010 -0.0292 -0.0332 0.0373 9 ILE T CD1 ? ? 1 +21606 C C . ILE O 9 0.0804 0.7688 0.8146 -0.0233 -0.0381 0.0327 9 ILE T C ? ? 1 +21607 O O . ILE O 9 0.0820 0.7699 0.8150 -0.0207 -0.0400 0.0331 9 ILE T O ? ? 1 +21608 N N . PHE O 10 0.0805 0.7714 0.8183 -0.0242 -0.0364 0.0316 10 PHE T N ? ? 1 +21609 C CA . PHE O 10 0.0838 0.7781 0.8255 -0.0220 -0.0368 0.0303 10 PHE T CA ? ? 1 +21610 C CB . PHE O 10 0.0833 0.7802 0.8286 -0.0239 -0.0341 0.0290 10 PHE T CB ? ? 1 +21611 C CG . PHE O 10 0.0868 0.7877 0.8367 -0.0219 -0.0340 0.0275 10 PHE T CG ? ? 1 +21612 C CD1 . PHE O 10 0.0906 0.7888 0.8389 -0.0194 -0.0338 0.0281 10 PHE T CD1 ? ? 1 +21613 C CD2 . PHE O 10 0.0858 0.7935 0.8419 -0.0223 -0.0341 0.0252 10 PHE T CD2 ? ? 1 +21614 C CE1 . PHE O 10 0.0913 0.7932 0.8438 -0.0171 -0.0337 0.0266 10 PHE T CE1 ? ? 1 +21615 C CE2 . PHE O 10 0.0871 0.7991 0.8479 -0.0202 -0.0340 0.0236 10 PHE T CE2 ? ? 1 +21616 C CZ . PHE O 10 0.0893 0.7984 0.8483 -0.0175 -0.0337 0.0244 10 PHE T CZ ? ? 1 +21617 C C . PHE O 10 0.0851 0.7842 0.8300 -0.0203 -0.0395 0.0289 10 PHE T C ? ? 1 +21618 O O . PHE O 10 0.0856 0.7850 0.8306 -0.0170 -0.0414 0.0288 10 PHE T O ? ? 1 +21619 N N . ALA O 11 0.0871 0.7893 0.8340 -0.0223 -0.0400 0.0277 11 ALA T N ? ? 1 +21620 C CA . ALA O 11 0.0905 0.7978 0.8409 -0.0211 -0.0428 0.0259 11 ALA T CA ? ? 1 +21621 C CB . ALA O 11 0.0887 0.7987 0.8412 -0.0244 -0.0424 0.0245 11 ALA T CB ? ? 1 +21622 C C . ALA O 11 0.0979 0.8023 0.8438 -0.0182 -0.0459 0.0271 11 ALA T C ? ? 1 +21623 O O . ALA O 11 0.0974 0.8048 0.8452 -0.0152 -0.0486 0.0260 11 ALA T O ? ? 1 +21624 N N . CYS O 12 0.1047 0.8030 0.8443 -0.0188 -0.0454 0.0292 12 CYS T N ? ? 1 +21625 C CA . CYS O 12 0.1136 0.8078 0.8476 -0.0163 -0.0476 0.0307 12 CYS T CA ? ? 1 +21626 C CB . CYS O 12 0.1204 0.8088 0.8487 -0.0180 -0.0462 0.0328 12 CYS T CB ? ? 1 +21627 S SG . CYS O 12 0.1303 0.8200 0.8584 -0.0210 -0.0462 0.0319 12 CYS T SG ? ? 1 +21628 C C . CYS O 12 0.1133 0.8053 0.8460 -0.0128 -0.0483 0.0315 12 CYS T C ? ? 1 +21629 O O . CYS O 12 0.1204 0.8115 0.8508 -0.0096 -0.0510 0.0316 12 CYS T O ? ? 1 +21630 N N . ILE O 13 0.1085 0.7989 0.8419 -0.0133 -0.0459 0.0321 13 ILE T N ? ? 1 +21631 C CA . ILE O 13 0.1095 0.7973 0.8415 -0.0102 -0.0462 0.0328 13 ILE T CA ? ? 1 +21632 C CB . ILE O 13 0.1071 0.7921 0.8389 -0.0117 -0.0431 0.0335 13 ILE T CB ? ? 1 +21633 C CG1 . ILE O 13 0.1091 0.7886 0.8360 -0.0141 -0.0415 0.0355 13 ILE T CG1 ? ? 1 +21634 C CG2 . ILE O 13 0.1112 0.7937 0.8420 -0.0086 -0.0433 0.0338 13 ILE T CG2 ? ? 1 +21635 C CD1 . ILE O 13 0.1071 0.7837 0.8333 -0.0159 -0.0388 0.0362 13 ILE T CD1 ? ? 1 +21636 C C . ILE O 13 0.1090 0.8023 0.8458 -0.0071 -0.0484 0.0307 13 ILE T C ? ? 1 +21637 O O . ILE O 13 0.1120 0.8033 0.8463 -0.0034 -0.0505 0.0312 13 ILE T O ? ? 1 +21638 N N . ILE O 14 0.1060 0.8063 0.8498 -0.0086 -0.0478 0.0284 14 ILE T N ? ? 1 +21639 C CA . ILE O 14 0.1082 0.8151 0.8579 -0.0058 -0.0498 0.0262 14 ILE T CA ? ? 1 +21640 C CB . ILE O 14 0.1069 0.8216 0.8647 -0.0084 -0.0481 0.0236 14 ILE T CB ? ? 1 +21641 C CG1 . ILE O 14 0.1053 0.8183 0.8636 -0.0106 -0.0441 0.0240 14 ILE T CG1 ? ? 1 +21642 C CG2 . ILE O 14 0.1108 0.8330 0.8754 -0.0053 -0.0503 0.0210 14 ILE T CG2 ? ? 1 +21643 C CD1 . ILE O 14 0.1092 0.8182 0.8651 -0.0077 -0.0434 0.0250 14 ILE T CD1 ? ? 1 +21644 C C . ILE O 14 0.1097 0.8178 0.8579 -0.0034 -0.0539 0.0257 14 ILE T C ? ? 1 +21645 O O . ILE O 14 0.1126 0.8215 0.8609 0.0009 -0.0565 0.0252 14 ILE T O ? ? 1 +21646 N N . ALA O 15 0.1094 0.8170 0.8557 -0.0058 -0.0545 0.0259 15 ALA T N ? ? 1 +21647 C CA . ALA O 15 0.1123 0.8199 0.8558 -0.0036 -0.0584 0.0256 15 ALA T CA ? ? 1 +21648 C CB . ALA O 15 0.1127 0.8193 0.8540 -0.0070 -0.0582 0.0257 15 ALA T CB ? ? 1 +21649 C C . ALA O 15 0.1164 0.8166 0.8520 0.0002 -0.0599 0.0279 15 ALA T C ? ? 1 +21650 O O . ALA O 15 0.1201 0.8212 0.8547 0.0041 -0.0635 0.0272 15 ALA T O ? ? 1 +21651 N N . LEU O 16 0.1165 0.8094 0.8464 -0.0009 -0.0573 0.0305 16 LEU T N ? ? 1 +21652 C CA . LEU O 16 0.1219 0.8069 0.8439 0.0021 -0.0580 0.0329 16 LEU T CA ? ? 1 +21653 C CB . LEU O 16 0.1209 0.7991 0.8384 -0.0006 -0.0543 0.0353 16 LEU T CB ? ? 1 +21654 C CG . LEU O 16 0.1295 0.7991 0.8392 0.0018 -0.0542 0.0378 16 LEU T CG ? ? 1 +21655 C CD1 . LEU O 16 0.1372 0.8032 0.8406 0.0039 -0.0567 0.0387 16 LEU T CD1 ? ? 1 +21656 C CD2 . LEU O 16 0.1310 0.7949 0.8373 -0.0015 -0.0505 0.0399 16 LEU T CD2 ? ? 1 +21657 C C . LEU O 16 0.1235 0.8088 0.8466 0.0065 -0.0595 0.0324 16 LEU T C ? ? 1 +21658 O O . LEU O 16 0.1305 0.8118 0.8483 0.0104 -0.0620 0.0332 16 LEU T O ? ? 1 +21659 N N . PHE O 17 0.1195 0.8089 0.8487 0.0061 -0.0578 0.0311 17 PHE T N ? ? 1 +21660 C CA . PHE O 17 0.1256 0.8161 0.8567 0.0105 -0.0592 0.0303 17 PHE T CA ? ? 1 +21661 C CB . PHE O 17 0.1213 0.8173 0.8598 0.0094 -0.0567 0.0285 17 PHE T CB ? ? 1 +21662 C CG . PHE O 17 0.1202 0.8116 0.8570 0.0065 -0.0527 0.0299 17 PHE T CG ? ? 1 +21663 C CD1 . PHE O 17 0.1237 0.8065 0.8529 0.0051 -0.0513 0.0326 17 PHE T CD1 ? ? 1 +21664 C CD2 . PHE O 17 0.1157 0.8114 0.8583 0.0050 -0.0501 0.0284 17 PHE T CD2 ? ? 1 +21665 C CE1 . PHE O 17 0.1205 0.7996 0.8485 0.0024 -0.0480 0.0336 17 PHE T CE1 ? ? 1 +21666 C CE2 . PHE O 17 0.1156 0.8069 0.8561 0.0025 -0.0467 0.0296 17 PHE T CE2 ? ? 1 +21667 C CZ . PHE O 17 0.1168 0.8001 0.8503 0.0012 -0.0459 0.0321 17 PHE T CZ ? ? 1 +21668 C C . PHE O 17 0.1301 0.8258 0.8635 0.0144 -0.0637 0.0284 17 PHE T C ? ? 1 +21669 O O . PHE O 17 0.1347 0.8276 0.8648 0.0192 -0.0661 0.0288 17 PHE T O ? ? 1 +21670 N N . PHE O 18 0.1293 0.8325 0.8684 0.0122 -0.0648 0.0262 18 PHE T N ? ? 1 +21671 C CA . PHE O 18 0.1356 0.8451 0.8781 0.0152 -0.0693 0.0239 18 PHE T CA ? ? 1 +21672 C CB . PHE O 18 0.1297 0.8466 0.8784 0.0112 -0.0696 0.0216 18 PHE T CB ? ? 1 +21673 C CG . PHE O 18 0.1342 0.8582 0.8871 0.0140 -0.0744 0.0188 18 PHE T CG ? ? 1 +21674 C CD1 . PHE O 18 0.1332 0.8660 0.8949 0.0163 -0.0758 0.0160 18 PHE T CD1 ? ? 1 +21675 C CD2 . PHE O 18 0.1381 0.8601 0.8860 0.0144 -0.0777 0.0190 18 PHE T CD2 ? ? 1 +21676 C CE1 . PHE O 18 0.1374 0.8775 0.9036 0.0189 -0.0806 0.0132 18 PHE T CE1 ? ? 1 +21677 C CE2 . PHE O 18 0.1424 0.8709 0.8939 0.0171 -0.0826 0.0162 18 PHE T CE2 ? ? 1 +21678 C CZ . PHE O 18 0.1415 0.8792 0.9025 0.0193 -0.0841 0.0133 18 PHE T CZ ? ? 1 +21679 C C . PHE O 18 0.1480 0.8507 0.8814 0.0189 -0.0728 0.0256 18 PHE T C ? ? 1 +21680 O O . PHE O 18 0.1529 0.8563 0.8856 0.0241 -0.0763 0.0249 18 PHE T O ? ? 1 +21681 N N . PHE O 19 0.1523 0.8485 0.8786 0.0163 -0.0716 0.0277 19 PHE T N ? ? 1 +21682 C CA . PHE O 19 0.1646 0.8539 0.8816 0.0193 -0.0743 0.0294 19 PHE T CA ? ? 1 +21683 C CB . PHE O 19 0.1698 0.8546 0.8815 0.0153 -0.0726 0.0310 19 PHE T CB ? ? 1 +21684 C CG . PHE O 19 0.1724 0.8647 0.8897 0.0126 -0.0740 0.0285 19 PHE T CG ? ? 1 +21685 C CD1 . PHE O 19 0.1848 0.8798 0.9012 0.0151 -0.0786 0.0268 19 PHE T CD1 ? ? 1 +21686 C CD2 . PHE O 19 0.1686 0.8653 0.8920 0.0076 -0.0708 0.0275 19 PHE T CD2 ? ? 1 +21687 C CE1 . PHE O 19 0.1834 0.8852 0.9052 0.0123 -0.0800 0.0242 19 PHE T CE1 ? ? 1 +21688 C CE2 . PHE O 19 0.1673 0.8702 0.8955 0.0049 -0.0720 0.0252 19 PHE T CE2 ? ? 1 +21689 C CZ . PHE O 19 0.1752 0.8807 0.9028 0.0071 -0.0765 0.0235 19 PHE T CZ ? ? 1 +21690 C C . PHE O 19 0.1708 0.8513 0.8804 0.0230 -0.0739 0.0319 19 PHE T C ? ? 1 +21691 O O . PHE O 19 0.1777 0.8540 0.8811 0.0276 -0.0773 0.0325 19 PHE T O ? ? 1 +21692 N N . ALA O 20 0.1668 0.8441 0.8767 0.0211 -0.0699 0.0332 20 ALA T N ? ? 1 +21693 C CA . ALA O 20 0.1739 0.8421 0.8767 0.0239 -0.0690 0.0356 20 ALA T CA ? ? 1 +21694 C CB . ALA O 20 0.1698 0.8348 0.8732 0.0201 -0.0642 0.0369 20 ALA T CB ? ? 1 +21695 C C . ALA O 20 0.1795 0.8494 0.8840 0.0296 -0.0718 0.0343 20 ALA T C ? ? 1 +21696 O O . ALA O 20 0.1907 0.8527 0.8876 0.0336 -0.0729 0.0361 20 ALA T O ? ? 1 +21697 N N . ILE O 21 0.1758 0.8562 0.8904 0.0301 -0.0730 0.0313 21 ILE T N ? ? 1 +21698 C CA . ILE O 21 0.1816 0.8651 0.8991 0.0357 -0.0758 0.0297 21 ILE T CA ? ? 1 +21699 C CB . ILE O 21 0.1764 0.8696 0.9053 0.0344 -0.0741 0.0270 21 ILE T CB ? ? 1 +21700 C CG1 . ILE O 21 0.1771 0.8649 0.9044 0.0320 -0.0693 0.0286 21 ILE T CG1 ? ? 1 +21701 C CG2 . ILE O 21 0.1776 0.8775 0.9121 0.0401 -0.0775 0.0244 21 ILE T CG2 ? ? 1 +21702 C CD1 . ILE O 21 0.1712 0.8669 0.9081 0.0293 -0.0665 0.0265 21 ILE T CD1 ? ? 1 +21703 C C . ILE O 21 0.1866 0.8730 0.9030 0.0400 -0.0813 0.0283 21 ILE T C ? ? 1 +21704 O O . ILE O 21 0.1969 0.8777 0.9068 0.0455 -0.0841 0.0293 21 ILE T O ? ? 1 +21705 N N . PHE O 22 0.1829 0.8775 0.9050 0.0375 -0.0830 0.0262 22 PHE T N ? ? 1 +21706 C CA . PHE O 22 0.1854 0.8850 0.9087 0.0414 -0.0886 0.0240 22 PHE T CA ? ? 1 +21707 C CB . PHE O 22 0.1755 0.8883 0.9110 0.0382 -0.0894 0.0203 22 PHE T CB ? ? 1 +21708 C CG . PHE O 22 0.1705 0.8916 0.9167 0.0382 -0.0875 0.0181 22 PHE T CG ? ? 1 +21709 C CD1 . PHE O 22 0.1748 0.9006 0.9251 0.0440 -0.0906 0.0162 22 PHE T CD1 ? ? 1 +21710 C CD2 . PHE O 22 0.1633 0.8872 0.9150 0.0326 -0.0825 0.0179 22 PHE T CD2 ? ? 1 +21711 C CE1 . PHE O 22 0.1703 0.9038 0.9305 0.0440 -0.0885 0.0140 22 PHE T CE1 ? ? 1 +21712 C CE2 . PHE O 22 0.1610 0.8921 0.9220 0.0326 -0.0805 0.0158 22 PHE T CE2 ? ? 1 +21713 C CZ . PHE O 22 0.1629 0.8990 0.9283 0.0382 -0.0833 0.0139 22 PHE T CZ ? ? 1 +21714 C C . PHE O 22 0.1947 0.8865 0.9073 0.0423 -0.0910 0.0259 22 PHE T C ? ? 1 +21715 O O . PHE O 22 0.1966 0.8887 0.9063 0.0472 -0.0960 0.0250 22 PHE T O ? ? 1 +21716 N N . PHE O 23 0.2008 0.8858 0.9074 0.0379 -0.0875 0.0284 23 PHE T N ? ? 1 +21717 C CA . PHE O 23 0.2162 0.8933 0.9121 0.0386 -0.0891 0.0304 23 PHE T CA ? ? 1 +21718 C CB . PHE O 23 0.2183 0.8993 0.9165 0.0335 -0.0885 0.0294 23 PHE T CB ? ? 1 +21719 C CG . PHE O 23 0.2244 0.9171 0.9319 0.0338 -0.0925 0.0254 23 PHE T CG ? ? 1 +21720 C CD1 . PHE O 23 0.2416 0.9357 0.9466 0.0386 -0.0983 0.0239 23 PHE T CD1 ? ? 1 +21721 C CD2 . PHE O 23 0.2191 0.9213 0.9379 0.0294 -0.0905 0.0230 23 PHE T CD2 ? ? 1 +21722 C CE1 . PHE O 23 0.2363 0.9418 0.9507 0.0387 -0.1021 0.0198 23 PHE T CE1 ? ? 1 +21723 C CE2 . PHE O 23 0.2158 0.9290 0.9436 0.0293 -0.0939 0.0191 23 PHE T CE2 ? ? 1 +21724 C CZ . PHE O 23 0.2249 0.9399 0.9508 0.0339 -0.0997 0.0175 23 PHE T CZ ? ? 1 +21725 C C . PHE O 23 0.2209 0.8850 0.9059 0.0388 -0.0858 0.0344 23 PHE T C ? ? 1 +21726 O O . PHE O 23 0.2201 0.8781 0.8985 0.0359 -0.0837 0.0364 23 PHE T O ? ? 1 +21727 N N A ARG O 24 0.2262 0.8863 0.9095 0.0422 -0.0853 0.0353 24 ARG T N ? ? 1 +21728 N N B ARG O 24 0.2276 0.8879 0.9111 0.0422 -0.0853 0.0353 24 ARG T N ? ? 1 +21729 C CA A ARG O 24 0.2352 0.8826 0.9081 0.0427 -0.0824 0.0389 24 ARG T CA ? ? 1 +21730 C CA B ARG O 24 0.2383 0.8859 0.9114 0.0428 -0.0825 0.0388 24 ARG T CA ? ? 1 +21731 C C A ARG O 24 0.2535 0.8917 0.9143 0.0475 -0.0856 0.0407 24 ARG T C ? ? 1 +21732 C C B ARG O 24 0.2594 0.8982 0.9207 0.0476 -0.0857 0.0405 24 ARG T C ? ? 1 +21733 O O A ARG O 24 0.2576 0.8997 0.9187 0.0517 -0.0906 0.0389 24 ARG T O ? ? 1 +21734 O O B ARG O 24 0.2641 0.9068 0.9258 0.0519 -0.0908 0.0387 24 ARG T O ? ? 1 +21735 C CB A ARG O 24 0.2335 0.8796 0.9088 0.0449 -0.0809 0.0390 24 ARG T CB ? ? 1 +21736 C CB B ARG O 24 0.2358 0.8820 0.9112 0.0450 -0.0810 0.0390 24 ARG T CB ? ? 1 +21737 C CG A ARG O 24 0.2385 0.8867 0.9144 0.0518 -0.0855 0.0375 24 ARG T CG ? ? 1 +21738 C CG B ARG O 24 0.2406 0.8886 0.9164 0.0520 -0.0855 0.0375 24 ARG T CG ? ? 1 +21739 C CD A ARG O 24 0.2407 0.8850 0.9166 0.0543 -0.0838 0.0381 24 ARG T CD ? ? 1 +21740 C CD B ARG O 24 0.2426 0.8868 0.9185 0.0543 -0.0837 0.0381 24 ARG T CD ? ? 1 +21741 N NE A ARG O 24 0.2476 0.8941 0.9242 0.0615 -0.0883 0.0365 24 ARG T NE ? ? 1 +21742 N NE B ARG O 24 0.2501 0.8960 0.9262 0.0616 -0.0882 0.0366 24 ARG T NE ? ? 1 +21743 C CZ A ARG O 24 0.2519 0.8948 0.9275 0.0654 -0.0880 0.0367 24 ARG T CZ ? ? 1 +21744 C CZ B ARG O 24 0.2542 0.8967 0.9295 0.0655 -0.0879 0.0368 24 ARG T CZ ? ? 1 +21745 N NH1 A ARG O 24 0.2518 0.8873 0.9243 0.0630 -0.0834 0.0387 24 ARG T NH1 ? ? 1 +21746 N NH1 B ARG O 24 0.2523 0.8894 0.9266 0.0627 -0.0832 0.0383 24 ARG T NH1 ? ? 1 +21747 N NH2 A ARG O 24 0.2580 0.9048 0.9358 0.0721 -0.0925 0.0348 24 ARG T NH2 ? ? 1 +21748 N NH2 B ARG O 24 0.2626 0.9070 0.9381 0.0725 -0.0925 0.0353 24 ARG T NH2 ? ? 1 +21749 N N A GLU O 25 0.2677 0.8936 0.9177 0.0468 -0.0825 0.0441 25 GLU T N ? ? 1 +21750 N N B GLU O 25 0.2773 0.9038 0.9278 0.0469 -0.0827 0.0439 25 GLU T N ? ? 1 +21751 C CA A GLU O 25 0.2855 0.9008 0.9228 0.0518 -0.0849 0.0462 25 GLU T CA ? ? 1 +21752 C CA B GLU O 25 0.2980 0.9139 0.9358 0.0519 -0.0851 0.0460 25 GLU T CA ? ? 1 +21753 C C A GLU O 25 0.3008 0.9153 0.9384 0.0579 -0.0876 0.0455 25 GLU T C ? ? 1 +21754 C C B GLU O 25 0.3084 0.9229 0.9460 0.0579 -0.0876 0.0455 25 GLU T C ? ? 1 +21755 O O A GLU O 25 0.3024 0.9143 0.9416 0.0573 -0.0846 0.0463 25 GLU T O ? ? 1 +21756 O O B GLU O 25 0.3095 0.9213 0.9486 0.0572 -0.0845 0.0463 25 GLU T O ? ? 1 +21757 C CB A GLU O 25 0.2865 0.8883 0.9127 0.0497 -0.0803 0.0501 25 GLU T CB ? ? 1 +21758 C CB B GLU O 25 0.3054 0.9085 0.9321 0.0492 -0.0806 0.0498 25 GLU T CB ? ? 1 +21759 C CG A GLU O 25 0.2751 0.8777 0.9035 0.0426 -0.0755 0.0509 25 GLU T CG ? ? 1 +21760 C CG B GLU O 25 0.3250 0.9157 0.9382 0.0548 -0.0825 0.0521 25 GLU T CG ? ? 1 +21761 C CD A GLU O 25 0.2775 0.8675 0.8952 0.0405 -0.0712 0.0545 25 GLU T CD ? ? 1 +21762 C CD B GLU O 25 0.3346 0.9155 0.9357 0.0539 -0.0811 0.0547 25 GLU T CD ? ? 1 +21763 O OE1 A GLU O 25 0.2878 0.8698 0.8946 0.0429 -0.0723 0.0562 25 GLU T OE1 ? ? 1 +21764 O OE1 B GLU O 25 0.3343 0.9193 0.9353 0.0536 -0.0835 0.0536 25 GLU T OE1 ? ? 1 +21765 O OE2 A GLU O 25 0.2647 0.8530 0.8848 0.0363 -0.0666 0.0555 25 GLU T OE2 ? ? 1 +21766 O OE2 B GLU O 25 0.3472 0.9159 0.9386 0.0537 -0.0777 0.0579 25 GLU T OE2 ? ? 1 +21767 N N . PRO O 26 0.3207 0.9375 0.9569 0.0641 -0.0934 0.0440 26 PRO T N ? ? 1 +21768 C CA . PRO O 26 0.3376 0.9544 0.9748 0.0703 -0.0961 0.0431 26 PRO T CA ? ? 1 +21769 C CB . PRO O 26 0.3435 0.9659 0.9811 0.0761 -0.1031 0.0407 26 PRO T CB ? ? 1 +21770 C CG . PRO O 26 0.3373 0.9635 0.9751 0.0725 -0.1040 0.0400 26 PRO T CG ? ? 1 +21771 C CD . PRO O 26 0.3269 0.9466 0.9607 0.0657 -0.0978 0.0428 26 PRO T CD ? ? 1 +21772 C C . PRO O 26 0.3632 0.9643 0.9874 0.0730 -0.0940 0.0467 26 PRO T C ? ? 1 +21773 O O . PRO O 26 0.3762 0.9668 0.9883 0.0736 -0.0938 0.0493 26 PRO T O ? ? 1 +21774 N N A PRO O 27 0.3706 0.9694 0.9966 0.0745 -0.0922 0.0469 27 PRO T N ? ? 1 +21775 N N B PRO O 27 0.3781 0.9770 1.0042 0.0745 -0.0921 0.0470 27 PRO T N ? ? 1 +21776 C CA A PRO O 27 0.3971 0.9808 1.0105 0.0780 -0.0910 0.0500 27 PRO T CA ? ? 1 +21777 C CA B PRO O 27 0.4143 0.9980 1.0277 0.0781 -0.0910 0.0500 27 PRO T CA ? ? 1 +21778 C C A PRO O 27 0.4364 1.0151 1.0414 0.0866 -0.0967 0.0501 27 PRO T C ? ? 1 +21779 C C B PRO O 27 0.4730 1.0520 1.0782 0.0866 -0.0968 0.0500 27 PRO T C ? ? 1 +21780 O O A PRO O 27 0.4451 1.0329 1.0571 0.0915 -0.1014 0.0472 27 PRO T O ? ? 1 +21781 O O B PRO O 27 0.4900 1.0782 1.1024 0.0915 -0.1014 0.0471 27 PRO T O ? ? 1 +21782 C CB A PRO O 27 0.3873 0.9724 1.0071 0.0775 -0.0881 0.0494 27 PRO T CB ? ? 1 +21783 C CB B PRO O 27 0.4009 0.9859 1.0206 0.0774 -0.0881 0.0494 27 PRO T CB ? ? 1 +21784 C CG A PRO O 27 0.3694 0.9713 1.0048 0.0766 -0.0898 0.0454 27 PRO T CG ? ? 1 +21785 C CG B PRO O 27 0.3792 0.9809 1.0146 0.0764 -0.0897 0.0455 27 PRO T CG ? ? 1 +21786 C CD A PRO O 27 0.3581 0.9680 0.9978 0.0727 -0.0909 0.0443 27 PRO T CD ? ? 1 +21787 C CD B PRO O 27 0.3653 0.9751 1.0049 0.0726 -0.0908 0.0443 27 PRO T CD ? ? 1 +21788 N N A ARG O 28 0.4746 1.0388 1.0644 0.0883 -0.0962 0.0534 28 ARG T N ? ? 1 +21789 N N B ARG O 28 0.5329 1.0973 1.1228 0.0884 -0.0964 0.0533 28 ARG T N ? ? 1 +21790 C CA A ARG O 28 0.5096 1.0665 1.0886 0.0964 -0.1014 0.0541 28 ARG T CA ? ? 1 +21791 C CA B ARG O 28 0.5873 1.1446 1.1666 0.0965 -0.1017 0.0539 28 ARG T CA ? ? 1 +21792 C C A ARG O 28 0.5422 1.0823 1.1083 0.0995 -0.0991 0.0573 28 ARG T C ? ? 1 +21793 C C B ARG O 28 0.6346 1.1751 1.2008 0.0998 -0.0995 0.0572 28 ARG T C ? ? 1 +21794 O O A ARG O 28 0.5565 1.0869 1.1165 0.0945 -0.0935 0.0602 28 ARG T O ? ? 1 +21795 O O B ARG O 28 0.6627 1.1932 1.2224 0.0949 -0.0939 0.0602 28 ARG T O ? ? 1 +21796 C CB A ARG O 28 0.5221 1.0754 1.0926 0.0960 -0.1032 0.0551 28 ARG T CB ? ? 1 +21797 C CB B ARG O 28 0.6102 1.1639 1.1809 0.0960 -0.1034 0.0550 28 ARG T CB ? ? 1 +21798 C CG A ARG O 28 0.5176 1.0864 1.0994 0.0937 -0.1064 0.0517 28 ARG T CG ? ? 1 +21799 C CG B ARG O 28 0.6160 1.1851 1.1979 0.0937 -0.1065 0.0516 28 ARG T CG ? ? 1 +21800 C CD A ARG O 28 0.5298 1.1079 1.1169 0.1007 -0.1138 0.0483 28 ARG T CD ? ? 1 +21801 C CD B ARG O 28 0.6432 1.2208 1.2295 0.1010 -0.1141 0.0484 28 ARG T CD ? ? 1 +21802 N NE A ARG O 28 0.5267 1.1198 1.1254 0.0981 -0.1166 0.0448 28 ARG T NE ? ? 1 +21803 N NE B ARG O 28 0.6512 1.2442 1.2496 0.0982 -0.1168 0.0448 28 ARG T NE ? ? 1 +21804 C CZ A ARG O 28 0.5153 1.1237 1.1297 0.0974 -0.1181 0.0410 28 ARG T CZ ? ? 1 +21805 C CZ B ARG O 28 0.6404 1.2486 1.2546 0.0975 -0.1182 0.0410 28 ARG T CZ ? ? 1 +21806 N NH1 A ARG O 28 0.5141 1.1255 1.1351 0.0993 -0.1171 0.0401 28 ARG T NH1 ? ? 1 +21807 N NH1 B ARG O 28 0.6403 1.2510 1.2607 0.0992 -0.1169 0.0403 28 ARG T NH1 ? ? 1 +21808 N NH2 A ARG O 28 0.5055 1.1262 1.1291 0.0946 -0.1205 0.0380 28 ARG T NH2 ? ? 1 +21809 N NH2 B ARG O 28 0.6298 1.2506 1.2535 0.0948 -0.1206 0.0379 28 ARG T NH2 ? ? 1 +21810 N N A ILE O 29 0.5731 1.1101 1.1354 0.1078 -0.1036 0.0568 29 ILE T N ? ? 1 +21811 N N B ILE O 29 0.6850 1.2225 1.2476 0.1080 -0.1039 0.0566 29 ILE T N ? ? 1 +21812 C CA A ILE O 29 0.6092 1.1299 1.1590 0.1115 -0.1017 0.0597 29 ILE T CA ? ? 1 +21813 C CA B ILE O 29 0.7438 1.2652 1.2940 0.1117 -0.1021 0.0596 29 ILE T CA ? ? 1 +21814 C C A ILE O 29 0.6480 1.1526 1.1793 0.1150 -0.1028 0.0631 29 ILE T C ? ? 1 +21815 C C B ILE O 29 0.8106 1.3159 1.3423 0.1148 -0.1029 0.0630 29 ILE T C ? ? 1 +21816 O O A ILE O 29 0.6632 1.1695 1.1905 0.1202 -0.1084 0.0622 29 ILE T O ? ? 1 +21817 O O B ILE O 29 0.8375 1.3446 1.3654 0.1194 -0.1083 0.0622 29 ILE T O ? ? 1 +21818 C CB A ILE O 29 0.6186 1.1428 1.1726 0.1191 -0.1057 0.0576 29 ILE T CB ? ? 1 +21819 C CB B ILE O 29 0.7570 1.2816 1.3110 0.1196 -0.1063 0.0574 29 ILE T CB ? ? 1 +21820 C CG1 A ILE O 29 0.6078 1.1482 1.1801 0.1161 -0.1048 0.0540 29 ILE T CG1 ? ? 1 +21821 C CG1 B ILE O 29 0.7540 1.2951 1.3264 0.1170 -0.1055 0.0538 29 ILE T CG1 ? ? 1 +21822 C CG2 A ILE O 29 0.6360 1.1426 1.1769 0.1227 -0.1036 0.0606 29 ILE T CG2 ? ? 1 +21823 C CG2 B ILE O 29 0.7750 1.2820 1.3160 0.1232 -0.1040 0.0604 29 ILE T CG2 ? ? 1 +21824 C CD1 A ILE O 29 0.6127 1.1597 1.1911 0.1241 -0.1095 0.0512 29 ILE T CD1 ? ? 1 +21825 C CD1 B ILE O 29 0.7604 1.3074 1.3383 0.1252 -0.1103 0.0511 29 ILE T CD1 ? ? 1 +21826 N N A THR O 30 0.6758 1.1646 1.1955 0.1122 -0.0973 0.0668 30 THR T N ? ? 1 +21827 N N B THR O 30 0.8664 1.3558 1.3866 0.1121 -0.0974 0.0667 30 THR T N ? ? 1 +21828 C CA A THR O 30 0.7031 1.1739 1.2036 0.1161 -0.0976 0.0704 30 THR T CA ? ? 1 +21829 C CA B THR O 30 0.9068 1.3780 1.4078 0.1159 -0.0975 0.0703 30 THR T CA ? ? 1 +21830 C C A THR O 30 0.7177 1.1724 1.2082 0.1172 -0.0937 0.0732 30 THR T C ? ? 1 +21831 C C B THR O 30 0.9291 1.3846 1.4207 0.1167 -0.0934 0.0730 30 THR T C ? ? 1 +21832 O O A THR O 30 0.7117 1.1612 1.2020 0.1102 -0.0872 0.0749 30 THR T O ? ? 1 +21833 O O B THR O 30 0.9139 1.3657 1.4069 0.1095 -0.0870 0.0744 30 THR T O ? ? 1 +21834 O OXT A THR O 30 0.7260 1.1729 1.2088 0.1252 -0.0972 0.0736 30 THR T OXT ? ? 1 +21835 C CB A THR O 30 0.7026 1.1689 1.1965 0.1102 -0.0942 0.0725 30 THR T CB ? ? 1 +21836 C CB B THR O 30 0.9021 1.3684 1.3962 0.1100 -0.0940 0.0726 30 THR T CB ? ? 1 +21837 O OG1 A THR O 30 0.6750 1.1473 1.1788 0.1009 -0.0882 0.0724 30 THR T OG1 ? ? 1 +21838 O OG1 B THR O 30 0.8529 1.3252 1.3567 0.1007 -0.0880 0.0724 30 THR T OG1 ? ? 1 +21839 C CG2 A THR O 30 0.7017 1.1773 1.1976 0.1124 -0.0997 0.0706 30 THR T CG2 ? ? 1 +21840 C CG2 B THR O 30 0.9030 1.3783 1.3988 0.1121 -0.0993 0.0707 30 THR T CG2 ? ? 1 +21841 N N . LEU P 1 0.4976 0.9630 0.9636 0.0093 -0.0257 0.0452 9 LEU U N ? ? 1 +21842 C CA . LEU P 1 0.4728 0.9475 0.9493 0.0056 -0.0239 0.0438 9 LEU U CA ? ? 1 +21843 C CB . LEU P 1 0.4523 0.9406 0.9464 0.0021 -0.0237 0.0432 9 LEU U CB ? ? 1 +21844 C CG . LEU P 1 0.4539 0.9436 0.9535 -0.0034 -0.0167 0.0441 9 LEU U CG ? ? 1 +21845 C CD1 . LEU P 1 0.4711 0.9485 0.9581 -0.0049 -0.0105 0.0454 9 LEU U CD1 ? ? 1 +21846 C CD2 . LEU P 1 0.4523 0.9445 0.9574 -0.0042 -0.0166 0.0449 9 LEU U CD2 ? ? 1 +21847 C C . LEU P 1 0.4664 0.9443 0.9424 0.0086 -0.0294 0.0419 9 LEU U C ? ? 1 +21848 O O . LEU P 1 0.4784 0.9647 0.9622 0.0107 -0.0354 0.0405 9 LEU U O ? ? 1 +21849 N N . VAL P 2 0.4659 0.9371 0.9330 0.0084 -0.0271 0.0417 10 VAL U N ? ? 1 +21850 C CA . VAL P 2 0.4596 0.9323 0.9247 0.0111 -0.0319 0.0398 10 VAL U CA ? ? 1 +21851 C CB . VAL P 2 0.4932 0.9531 0.9406 0.0165 -0.0352 0.0402 10 VAL U CB ? ? 1 +21852 C CG1 . VAL P 2 0.5157 0.9612 0.9478 0.0157 -0.0285 0.0422 10 VAL U CG1 ? ? 1 +21853 C CG2 . VAL P 2 0.5030 0.9651 0.9488 0.0195 -0.0413 0.0379 10 VAL U CG2 ? ? 1 +21854 C C . VAL P 2 0.4329 0.9066 0.8995 0.0076 -0.0273 0.0391 10 VAL U C ? ? 1 +21855 O O . VAL P 2 0.4533 0.9201 0.9140 0.0051 -0.0206 0.0404 10 VAL U O ? ? 1 +21856 N N . ASN P 3 0.3964 0.8790 0.8716 0.0074 -0.0309 0.0369 11 ASN U N ? ? 1 +21857 C CA . ASN P 3 0.3755 0.8588 0.8514 0.0052 -0.0278 0.0359 11 ASN U CA ? ? 1 +21858 C CB . ASN P 3 0.3529 0.8488 0.8427 0.0041 -0.0317 0.0337 11 ASN U CB ? ? 1 +21859 C CG . ASN P 3 0.3476 0.8435 0.8369 0.0027 -0.0296 0.0323 11 ASN U CG ? ? 1 +21860 O OD1 . ASN P 3 0.3599 0.8464 0.8365 0.0046 -0.0289 0.0321 11 ASN U OD1 ? ? 1 +21861 N ND2 . ASN P 3 0.3325 0.8384 0.8350 -0.0003 -0.0287 0.0313 11 ASN U ND2 ? ? 1 +21862 C C . ASN P 3 0.3888 0.8598 0.8475 0.0086 -0.0286 0.0357 11 ASN U C ? ? 1 +21863 O O . ASN P 3 0.4050 0.8747 0.8590 0.0127 -0.0352 0.0345 11 ASN U O ? ? 1 +21864 N N . VAL P 4 0.3883 0.8505 0.8378 0.0070 -0.0218 0.0369 12 VAL U N ? ? 1 +21865 C CA . VAL P 4 0.3994 0.8478 0.8305 0.0101 -0.0212 0.0372 12 VAL U CA ? ? 1 +21866 C CB . VAL P 4 0.4059 0.8444 0.8280 0.0075 -0.0122 0.0393 12 VAL U CB ? ? 1 +21867 C CG1 . VAL P 4 0.4047 0.8408 0.8271 0.0064 -0.0097 0.0415 12 VAL U CG1 ? ? 1 +21868 C CG2 . VAL P 4 0.3971 0.8415 0.8279 0.0029 -0.0060 0.0386 12 VAL U CG2 ? ? 1 +21869 C C . VAL P 4 0.4021 0.8510 0.8308 0.0115 -0.0242 0.0349 12 VAL U C ? ? 1 +21870 O O . VAL P 4 0.4172 0.8559 0.8311 0.0153 -0.0265 0.0346 12 VAL U O ? ? 1 +21871 N N . VAL P 5 0.3888 0.8488 0.8313 0.0087 -0.0241 0.0333 13 VAL U N ? ? 1 +21872 C CA . VAL P 5 0.3918 0.8527 0.8330 0.0097 -0.0268 0.0309 13 VAL U CA ? ? 1 +21873 C CB . VAL P 5 0.3782 0.8487 0.8328 0.0056 -0.0235 0.0298 13 VAL U CB ? ? 1 +21874 C CG1 . VAL P 5 0.3817 0.8528 0.8348 0.0068 -0.0268 0.0272 13 VAL U CG1 ? ? 1 +21875 C CG2 . VAL P 5 0.3797 0.8468 0.8329 0.0023 -0.0143 0.0314 13 VAL U CG2 ? ? 1 +21876 C C . VAL P 5 0.3915 0.8561 0.8340 0.0132 -0.0362 0.0290 13 VAL U C ? ? 1 +21877 O O . VAL P 5 0.4014 0.8600 0.8338 0.0163 -0.0398 0.0276 13 VAL U O ? ? 1 +21878 N N . ASP P 6 0.3800 0.8546 0.8351 0.0128 -0.0399 0.0290 14 ASP U N ? ? 1 +21879 C CA . ASP P 6 0.3843 0.8630 0.8415 0.0161 -0.0484 0.0273 14 ASP U CA ? ? 1 +21880 C CB . ASP P 6 0.3649 0.8550 0.8371 0.0148 -0.0506 0.0275 14 ASP U CB ? ? 1 +21881 C CG . ASP P 6 0.3453 0.8471 0.8335 0.0107 -0.0493 0.0265 14 ASP U CG ? ? 1 +21882 O OD1 . ASP P 6 0.3409 0.8448 0.8308 0.0100 -0.0507 0.0245 14 ASP U OD1 ? ? 1 +21883 O OD2 . ASP P 6 0.3338 0.8425 0.8326 0.0082 -0.0471 0.0276 14 ASP U OD2 ? ? 1 +21884 C C . ASP P 6 0.4084 0.8759 0.8495 0.0212 -0.0519 0.0278 14 ASP U C ? ? 1 +21885 O O . ASP P 6 0.4143 0.8806 0.8507 0.0246 -0.0585 0.0258 14 ASP U O ? ? 1 +21886 N N . GLU P 7 0.4271 0.8864 0.8601 0.0216 -0.0476 0.0305 15 GLU U N ? ? 1 +21887 C CA . GLU P 7 0.4552 0.9021 0.8715 0.0264 -0.0499 0.0316 15 GLU U CA ? ? 1 +21888 C CB . GLU P 7 0.4851 0.9246 0.8958 0.0253 -0.0437 0.0347 15 GLU U CB ? ? 1 +21889 C CG . GLU P 7 0.5295 0.9559 0.9234 0.0303 -0.0457 0.0363 15 GLU U CG ? ? 1 +21890 C CD . GLU P 7 0.5639 0.9815 0.9511 0.0286 -0.0386 0.0394 15 GLU U CD ? ? 1 +21891 O OE1 . GLU P 7 0.5811 0.9958 0.9677 0.0243 -0.0307 0.0404 15 GLU U OE1 ? ? 1 +21892 O OE2 . GLU P 7 0.5958 1.0090 0.9783 0.0316 -0.0409 0.0407 15 GLU U OE2 ? ? 1 +21893 C C . GLU P 7 0.4597 0.8957 0.8602 0.0288 -0.0502 0.0307 15 GLU U C ? ? 1 +21894 O O . GLU P 7 0.4706 0.9005 0.8603 0.0338 -0.0562 0.0298 15 GLU U O ? ? 1 +21895 N N . LYS P 8 0.4477 0.8814 0.8469 0.0255 -0.0438 0.0308 16 LYS U N ? ? 1 +21896 C CA . LYS P 8 0.4534 0.8765 0.8377 0.0273 -0.0428 0.0301 16 LYS U CA ? ? 1 +21897 C CB . LYS P 8 0.4525 0.8749 0.8385 0.0229 -0.0342 0.0306 16 LYS U CB ? ? 1 +21898 C CG . LYS P 8 0.4723 0.8801 0.8396 0.0244 -0.0300 0.0312 16 LYS U CG ? ? 1 +21899 C CD . LYS P 8 0.4865 0.8820 0.8406 0.0252 -0.0252 0.0342 16 LYS U CD ? ? 1 +21900 C CE . LYS P 8 0.5012 0.8839 0.8401 0.0248 -0.0181 0.0351 16 LYS U CE ? ? 1 +21901 N NZ . LYS P 8 0.5196 0.8876 0.8415 0.0271 -0.0154 0.0378 16 LYS U NZ ? ? 1 +21902 C C . LYS P 8 0.4426 0.8698 0.8282 0.0298 -0.0507 0.0268 16 LYS U C ? ? 1 +21903 O O . LYS P 8 0.4526 0.8702 0.8235 0.0334 -0.0535 0.0258 16 LYS U O ? ? 1 +21904 N N . LEU P 9 0.4194 0.8610 0.8227 0.0276 -0.0542 0.0249 17 LEU U N ? ? 1 +21905 C CA . LEU P 9 0.4150 0.8621 0.8220 0.0292 -0.0617 0.0216 17 LEU U CA ? ? 1 +21906 C CB . LEU P 9 0.3943 0.8572 0.8222 0.0253 -0.0629 0.0202 17 LEU U CB ? ? 1 +21907 C CG . LEU P 9 0.3838 0.8508 0.8196 0.0206 -0.0568 0.0200 17 LEU U CG ? ? 1 +21908 C CD1 . LEU P 9 0.3646 0.8464 0.8199 0.0174 -0.0589 0.0187 17 LEU U CD1 ? ? 1 +21909 C CD2 . LEU P 9 0.3927 0.8531 0.8189 0.0214 -0.0568 0.0180 17 LEU U CD2 ? ? 1 +21910 C C . LEU P 9 0.4219 0.8666 0.8222 0.0345 -0.0703 0.0205 17 LEU U C ? ? 1 +21911 O O . LEU P 9 0.4253 0.8712 0.8238 0.0367 -0.0767 0.0177 17 LEU U O ? ? 1 +21912 N N . GLY P 10 0.4219 0.8632 0.8184 0.0368 -0.0704 0.0227 18 GLY U N ? ? 1 +21913 C CA . GLY P 10 0.4323 0.8693 0.8199 0.0426 -0.0779 0.0221 18 GLY U CA ? ? 1 +21914 C C . GLY P 10 0.4547 0.8746 0.8194 0.0470 -0.0778 0.0230 18 GLY U C ? ? 1 +21915 O O . GLY P 10 0.4672 0.8825 0.8230 0.0525 -0.0844 0.0223 18 GLY U O ? ? 1 +21916 N N . THR P 11 0.4612 0.8718 0.8163 0.0449 -0.0704 0.0243 19 THR U N ? ? 1 +21917 C CA . THR P 11 0.4820 0.8757 0.8148 0.0487 -0.0692 0.0252 19 THR U CA ? ? 1 +21918 C CB . THR P 11 0.4885 0.8721 0.8128 0.0462 -0.0590 0.0288 19 THR U CB ? ? 1 +21919 O OG1 . THR P 11 0.4817 0.8682 0.8117 0.0411 -0.0521 0.0285 19 THR U OG1 ? ? 1 +21920 C CG2 . THR P 11 0.4793 0.8668 0.8118 0.0445 -0.0563 0.0313 19 THR U CG2 ? ? 1 +21921 C C . THR P 11 0.4886 0.8803 0.8162 0.0491 -0.0713 0.0224 19 THR U C ? ? 1 +21922 O O . THR P 11 0.4738 0.8772 0.8152 0.0468 -0.0744 0.0197 19 THR U O ? ? 1 +21923 N N . ALA P 12 0.5121 0.8884 0.8193 0.0519 -0.0695 0.0230 20 ALA U N ? ? 1 +21924 C CA . ALA P 12 0.5242 0.8966 0.8240 0.0527 -0.0712 0.0204 20 ALA U CA ? ? 1 +21925 C CB . ALA P 12 0.5472 0.9005 0.8220 0.0567 -0.0689 0.0218 20 ALA U CB ? ? 1 +21926 C C . ALA P 12 0.5191 0.8982 0.8300 0.0470 -0.0648 0.0197 20 ALA U C ? ? 1 +21927 O O . ALA P 12 0.5225 0.9033 0.8337 0.0468 -0.0673 0.0169 20 ALA U O ? ? 1 +21928 N N . TYR P 13 0.5155 0.8983 0.8353 0.0425 -0.0567 0.0222 21 TYR U N ? ? 1 +21929 C CA . TYR P 13 0.5065 0.8974 0.8390 0.0372 -0.0508 0.0217 21 TYR U CA ? ? 1 +21930 C CB . TYR P 13 0.4942 0.8894 0.8364 0.0329 -0.0431 0.0246 21 TYR U CB ? ? 1 +21931 C CG . TYR P 13 0.4763 0.8819 0.8341 0.0276 -0.0377 0.0240 21 TYR U CG ? ? 1 +21932 C CD1 . TYR P 13 0.4818 0.8819 0.8343 0.0254 -0.0297 0.0245 21 TYR U CD1 ? ? 1 +21933 C CD2 . TYR P 13 0.4560 0.8768 0.8336 0.0250 -0.0407 0.0229 21 TYR U CD2 ? ? 1 +21934 C CE1 . TYR P 13 0.4665 0.8761 0.8332 0.0210 -0.0250 0.0239 21 TYR U CE1 ? ? 1 +21935 C CE2 . TYR P 13 0.4430 0.8727 0.8341 0.0205 -0.0360 0.0225 21 TYR U CE2 ? ? 1 +21936 C CZ . TYR P 13 0.4470 0.8712 0.8328 0.0187 -0.0284 0.0229 21 TYR U CZ ? ? 1 +21937 O OH . TYR P 13 0.4342 0.8671 0.8332 0.0147 -0.0239 0.0224 21 TYR U OH ? ? 1 +21938 C C . TYR P 13 0.4962 0.9018 0.8461 0.0355 -0.0568 0.0186 21 TYR U C ? ? 1 +21939 O O . TYR P 13 0.4952 0.9048 0.8510 0.0327 -0.0544 0.0170 21 TYR U O ? ? 1 +21940 N N . GLY P 14 0.4940 0.9073 0.8519 0.0373 -0.0643 0.0177 22 GLY U N ? ? 1 +21941 C CA . GLY P 14 0.4825 0.9097 0.8569 0.0356 -0.0702 0.0148 22 GLY U CA ? ? 1 +21942 C C . GLY P 14 0.4948 0.9203 0.8635 0.0382 -0.0773 0.0111 22 GLY U C ? ? 1 +21943 O O . GLY P 14 0.4849 0.9211 0.8667 0.0364 -0.0818 0.0084 22 GLY U O ? ? 1 +21944 N N . GLU P 15 0.5241 0.9357 0.8730 0.0422 -0.0784 0.0109 23 GLU U N ? ? 1 +21945 C CA . GLU P 15 0.5449 0.9541 0.8871 0.0450 -0.0856 0.0073 23 GLU U CA ? ? 1 +21946 C CB . GLU P 15 0.5696 0.9762 0.9043 0.0506 -0.0947 0.0063 23 GLU U CB ? ? 1 +21947 C CG . GLU P 15 0.6011 0.9946 0.9189 0.0545 -0.0922 0.0096 23 GLU U CG ? ? 1 +21948 C CD . GLU P 15 0.6308 1.0220 0.9416 0.0604 -0.1014 0.0087 23 GLU U CD ? ? 1 +21949 O OE1 . GLU P 15 0.6358 1.0359 0.9579 0.0608 -0.1044 0.0092 23 GLU U OE1 ? ? 1 +21950 O OE2 . GLU P 15 0.6598 1.0402 0.9536 0.0650 -0.1057 0.0072 23 GLU U OE2 ? ? 1 +21951 C C . GLU P 15 0.5541 0.9506 0.8799 0.0459 -0.0821 0.0067 23 GLU U C ? ? 1 +21952 O O . GLU P 15 0.5587 0.9550 0.8821 0.0467 -0.0869 0.0033 23 GLU U O ? ? 1 +21953 N N . LYS P 16 0.5577 0.9437 0.8723 0.0456 -0.0735 0.0097 24 LYS U N ? ? 1 +21954 C CA . LYS P 16 0.5695 0.9430 0.8681 0.0463 -0.0690 0.0094 24 LYS U CA ? ? 1 +21955 C CB . LYS P 16 0.6011 0.9585 0.8767 0.0517 -0.0703 0.0107 24 LYS U CB ? ? 1 +21956 C CG . LYS P 16 0.6150 0.9716 0.8850 0.0569 -0.0817 0.0083 24 LYS U CG ? ? 1 +21957 C CD . LYS P 16 0.6472 0.9869 0.8935 0.0623 -0.0825 0.0097 24 LYS U CD ? ? 1 +21958 C CE . LYS P 16 0.6691 1.0082 0.9098 0.0679 -0.0940 0.0074 24 LYS U CE ? ? 1 +21959 N NZ . LYS P 16 0.6779 1.0213 0.9209 0.0685 -0.1014 0.0027 24 LYS U NZ ? ? 1 +21960 C C . LYS P 16 0.5506 0.9235 0.8526 0.0420 -0.0577 0.0118 24 LYS U C ? ? 1 +21961 O O . LYS P 16 0.5377 0.9188 0.8529 0.0387 -0.0537 0.0138 24 LYS U O ? ? 1 +21962 N N . ILE P 17 0.5518 0.9150 0.8417 0.0421 -0.0526 0.0114 25 ILE U N ? ? 1 +21963 C CA . ILE P 17 0.5413 0.9025 0.8322 0.0385 -0.0416 0.0136 25 ILE U CA ? ? 1 +21964 C CB . ILE P 17 0.5490 0.9034 0.8310 0.0384 -0.0377 0.0117 25 ILE U CB ? ? 1 +21965 C CG1 . ILE P 17 0.5354 0.8998 0.8297 0.0370 -0.0428 0.0080 25 ILE U CG1 ? ? 1 +21966 C CG2 . ILE P 17 0.5487 0.9005 0.8307 0.0350 -0.0257 0.0141 25 ILE U CG2 ? ? 1 +21967 C CD1 . ILE P 17 0.5467 0.9029 0.8295 0.0383 -0.0419 0.0056 25 ILE U CD1 ? ? 1 +21968 C C . ILE P 17 0.5469 0.8975 0.8254 0.0396 -0.0360 0.0173 25 ILE U C ? ? 1 +21969 O O . ILE P 17 0.5658 0.9020 0.8242 0.0434 -0.0360 0.0178 25 ILE U O ? ? 1 +21970 N N . ASP P 18 0.5297 0.8871 0.8200 0.0363 -0.0313 0.0198 26 ASP U N ? ? 1 +21971 C CA . ASP P 18 0.5368 0.8849 0.8172 0.0364 -0.0250 0.0234 26 ASP U CA ? ? 1 +21972 C CB . ASP P 18 0.5194 0.8780 0.8157 0.0338 -0.0248 0.0253 26 ASP U CB ? ? 1 +21973 C CG . ASP P 18 0.5260 0.8761 0.8141 0.0334 -0.0188 0.0289 26 ASP U CG ? ? 1 +21974 O OD1 . ASP P 18 0.5431 0.8787 0.8133 0.0347 -0.0135 0.0303 26 ASP U OD1 ? ? 1 +21975 O OD2 . ASP P 18 0.5140 0.8713 0.8132 0.0318 -0.0193 0.0303 26 ASP U OD2 ? ? 1 +21976 C C . ASP P 18 0.5426 0.8841 0.8171 0.0336 -0.0140 0.0246 26 ASP U C ? ? 1 +21977 O O . ASP P 18 0.5275 0.8784 0.8164 0.0292 -0.0085 0.0244 26 ASP U O ? ? 1 +21978 N N . LEU P 19 0.5623 0.8874 0.8152 0.0364 -0.0107 0.0257 27 LEU U N ? ? 1 +21979 C CA . LEU P 19 0.5703 0.8880 0.8155 0.0343 -0.0003 0.0265 27 LEU U CA ? ? 1 +21980 C CB . LEU P 19 0.5949 0.8931 0.8138 0.0384 0.0012 0.0275 27 LEU U CB ? ? 1 +21981 C CG . LEU P 19 0.6052 0.8974 0.8120 0.0436 -0.0079 0.0247 27 LEU U CG ? ? 1 +21982 C CD1 . LEU P 19 0.6317 0.9039 0.8115 0.0479 -0.0061 0.0259 27 LEU U CD1 ? ? 1 +21983 C CD2 . LEU P 19 0.5988 0.8973 0.8124 0.0424 -0.0083 0.0214 27 LEU U CD2 ? ? 1 +21984 C C . LEU P 19 0.5617 0.8836 0.8166 0.0294 0.0089 0.0292 27 LEU U C ? ? 1 +21985 O O . LEU P 19 0.5609 0.8830 0.8178 0.0262 0.0176 0.0294 27 LEU U O ? ? 1 +21986 N N . ASN P 20 0.5546 0.8802 0.8157 0.0289 0.0068 0.0312 28 ASN U N ? ? 1 +21987 C CA . ASN P 20 0.5470 0.8756 0.8161 0.0244 0.0148 0.0337 28 ASN U CA ? ? 1 +21988 C CB . ASN P 20 0.5571 0.8775 0.8170 0.0264 0.0131 0.0364 28 ASN U CB ? ? 1 +21989 C CG . ASN P 20 0.5842 0.8850 0.8189 0.0299 0.0157 0.0380 28 ASN U CG ? ? 1 +21990 O OD1 . ASN P 20 0.5986 0.8909 0.8220 0.0299 0.0212 0.0377 28 ASN U OD1 ? ? 1 +21991 N ND2 . ASN P 20 0.5943 0.8870 0.8191 0.0329 0.0122 0.0399 28 ASN U ND2 ? ? 1 +21992 C C . ASN P 20 0.5217 0.8685 0.8156 0.0201 0.0147 0.0331 28 ASN U C ? ? 1 +21993 O O . ASN P 20 0.5196 0.8701 0.8215 0.0161 0.0213 0.0349 28 ASN U O ? ? 1 +21994 N N . ASN P 21 0.5065 0.8645 0.8125 0.0208 0.0071 0.0305 29 ASN U N ? ? 1 +21995 C CA . ASN P 21 0.4812 0.8559 0.8098 0.0173 0.0058 0.0301 29 ASN U CA ? ? 1 +21996 C CB . ASN P 21 0.4762 0.8546 0.8090 0.0191 -0.0017 0.0308 29 ASN U CB ? ? 1 +21997 C CG . ASN P 21 0.4815 0.8537 0.8092 0.0183 0.0025 0.0339 29 ASN U CG ? ? 1 +21998 O OD1 . ASN P 21 0.4730 0.8507 0.8107 0.0141 0.0087 0.0352 29 ASN U OD1 ? ? 1 +21999 N ND2 . ASN P 21 0.4971 0.8579 0.8093 0.0224 -0.0010 0.0351 29 ASN U ND2 ? ? 1 +22000 C C . ASN P 21 0.4663 0.8523 0.8080 0.0163 0.0026 0.0271 29 ASN U C ? ? 1 +22001 O O . ASN P 21 0.4491 0.8466 0.8073 0.0125 0.0058 0.0268 29 ASN U O ? ? 1 +22002 N N . THR P 22 0.4711 0.8534 0.8050 0.0198 -0.0038 0.0248 30 THR U N ? ? 1 +22003 C CA . THR P 22 0.4567 0.8492 0.8026 0.0192 -0.0085 0.0218 30 THR U CA ? ? 1 +22004 C CB . THR P 22 0.4656 0.8523 0.8005 0.0235 -0.0168 0.0194 30 THR U CB ? ? 1 +22005 O OG1 . THR P 22 0.4675 0.8534 0.7999 0.0261 -0.0235 0.0201 30 THR U OG1 ? ? 1 +22006 C CG2 . THR P 22 0.4546 0.8507 0.8008 0.0227 -0.0217 0.0162 30 THR U CG2 ? ? 1 +22007 C C . THR P 22 0.4519 0.8471 0.8029 0.0163 -0.0011 0.0210 30 THR U C ? ? 1 +22008 O O . THR P 22 0.4651 0.8505 0.8039 0.0166 0.0056 0.0216 30 THR U O ? ? 1 +22009 N N . ASN P 23 0.4334 0.8418 0.8022 0.0138 -0.0026 0.0195 31 ASN U N ? ? 1 +22010 C CA . ASN P 23 0.4281 0.8406 0.8035 0.0116 0.0029 0.0183 31 ASN U CA ? ? 1 +22011 C CB . ASN P 23 0.4086 0.8361 0.8045 0.0090 0.0000 0.0173 31 ASN U CB ? ? 1 +22012 C CG . ASN P 23 0.4053 0.8373 0.8081 0.0075 0.0041 0.0156 31 ASN U CG ? ? 1 +22013 O OD1 . ASN P 23 0.4102 0.8403 0.8098 0.0090 0.0007 0.0132 31 ASN U OD1 ? ? 1 +22014 N ND2 . ASN P 23 0.3991 0.8369 0.8115 0.0045 0.0113 0.0168 31 ASN U ND2 ? ? 1 +22015 C C . ASN P 23 0.4412 0.8451 0.8038 0.0142 0.0020 0.0159 31 ASN U C ? ? 1 +22016 O O . ASN P 23 0.4479 0.8483 0.8038 0.0172 -0.0058 0.0143 31 ASN U O ? ? 1 +22017 N N . ILE P 24 0.4438 0.8449 0.8039 0.0132 0.0098 0.0157 32 ILE U N ? ? 1 +22018 C CA . ILE P 24 0.4581 0.8489 0.8037 0.0157 0.0110 0.0138 32 ILE U CA ? ? 1 +22019 C CB . ILE P 24 0.4592 0.8490 0.8052 0.0138 0.0215 0.0141 32 ILE U CB ? ? 1 +22020 C CG1 . ILE P 24 0.4787 0.8547 0.8055 0.0166 0.0246 0.0130 32 ILE U CG1 ? ? 1 +22021 C CG2 . ILE P 24 0.4424 0.8452 0.8069 0.0113 0.0226 0.0126 32 ILE U CG2 ? ? 1 +22022 C CD1 . ILE P 24 0.4842 0.8577 0.8092 0.0149 0.0359 0.0137 32 ILE U CD1 ? ? 1 +22023 C C . ILE P 24 0.4553 0.8492 0.8038 0.0171 0.0037 0.0105 32 ILE U C ? ? 1 +22024 O O . ILE P 24 0.4692 0.8535 0.8036 0.0200 0.0015 0.0087 32 ILE U O ? ? 1 +22025 N N . ALA P 25 0.4376 0.8446 0.8043 0.0149 0.0002 0.0096 33 ALA U N ? ? 1 +22026 C CA . ALA P 25 0.4353 0.8458 0.8063 0.0155 -0.0064 0.0065 33 ALA U CA ? ? 1 +22027 C CB . ALA P 25 0.4149 0.8398 0.8067 0.0124 -0.0075 0.0062 33 ALA U CB ? ? 1 +22028 C C . ALA P 25 0.4436 0.8498 0.8064 0.0183 -0.0160 0.0051 33 ALA U C ? ? 1 +22029 O O . ALA P 25 0.4460 0.8512 0.8068 0.0195 -0.0213 0.0022 33 ALA U O ? ? 1 +22030 N N . ALA P 26 0.4491 0.8526 0.8069 0.0195 -0.0182 0.0071 34 ALA U N ? ? 1 +22031 C CA . ALA P 26 0.4595 0.8588 0.8089 0.0227 -0.0272 0.0059 34 ALA U CA ? ? 1 +22032 C CB . ALA P 26 0.4599 0.8581 0.8070 0.0236 -0.0282 0.0087 34 ALA U CB ? ? 1 +22033 C C . ALA P 26 0.4819 0.8676 0.8115 0.0263 -0.0287 0.0040 34 ALA U C ? ? 1 +22034 O O . ALA P 26 0.4876 0.8714 0.8124 0.0287 -0.0371 0.0017 34 ALA U O ? ? 1 +22035 N N . PHE P 27 0.4961 0.8726 0.8145 0.0267 -0.0205 0.0049 35 PHE U N ? ? 1 +22036 C CA . PHE P 27 0.5193 0.8817 0.8173 0.0302 -0.0209 0.0034 35 PHE U CA ? ? 1 +22037 C CB . PHE P 27 0.5291 0.8814 0.8151 0.0302 -0.0102 0.0056 35 PHE U CB ? ? 1 +22038 C CG . PHE P 27 0.5320 0.8795 0.8118 0.0305 -0.0070 0.0092 35 PHE U CG ? ? 1 +22039 C CD1 . PHE P 27 0.5170 0.8736 0.8110 0.0270 -0.0023 0.0118 35 PHE U CD1 ? ? 1 +22040 C CD2 . PHE P 27 0.5498 0.8834 0.8093 0.0344 -0.0089 0.0100 35 PHE U CD2 ? ? 1 +22041 C CE1 . PHE P 27 0.5208 0.8723 0.8089 0.0271 0.0007 0.0150 35 PHE U CE1 ? ? 1 +22042 C CE2 . PHE P 27 0.5543 0.8826 0.8076 0.0347 -0.0059 0.0134 35 PHE U CE2 ? ? 1 +22043 C CZ . PHE P 27 0.5396 0.8769 0.8073 0.0309 -0.0010 0.0158 35 PHE U CZ ? ? 1 +22044 C C . PHE P 27 0.5268 0.8892 0.8247 0.0307 -0.0242 -0.0004 35 PHE U C ? ? 1 +22045 O O . PHE P 27 0.5443 0.8952 0.8255 0.0337 -0.0255 -0.0022 35 PHE U O ? ? 1 +22046 N N . ILE P 28 0.5190 0.8936 0.8349 0.0277 -0.0255 -0.0018 36 ILE U N ? ? 1 +22047 C CA . ILE P 28 0.5280 0.9034 0.8455 0.0278 -0.0295 -0.0055 36 ILE U CA ? ? 1 +22048 C CB . ILE P 28 0.5080 0.8961 0.8456 0.0239 -0.0268 -0.0057 36 ILE U CB ? ? 1 +22049 C CG1 . ILE P 28 0.5071 0.8939 0.8450 0.0227 -0.0156 -0.0039 36 ILE U CG1 ? ? 1 +22050 C CG2 . ILE P 28 0.5044 0.8953 0.8469 0.0234 -0.0322 -0.0095 36 ILE U CG2 ? ? 1 +22051 C CD1 . ILE P 28 0.4892 0.8887 0.8467 0.0192 -0.0124 -0.0034 36 ILE U CD1 ? ? 1 +22052 C C . ILE P 28 0.5428 0.9179 0.8574 0.0297 -0.0406 -0.0081 36 ILE U C ? ? 1 +22053 O O . ILE P 28 0.5509 0.9231 0.8616 0.0305 -0.0447 -0.0115 36 ILE U O ? ? 1 +22054 N N . GLN P 29 0.5531 0.9309 0.8692 0.0306 -0.0456 -0.0067 37 GLN U N ? ? 1 +22055 C CA . GLN P 29 0.5677 0.9470 0.8830 0.0324 -0.0563 -0.0092 37 GLN U CA ? ? 1 +22056 C CB . GLN P 29 0.5766 0.9610 0.8969 0.0329 -0.0596 -0.0068 37 GLN U CB ? ? 1 +22057 C CG . GLN P 29 0.5692 0.9683 0.9111 0.0289 -0.0584 -0.0054 37 GLN U CG ? ? 1 +22058 C CD . GLN P 29 0.5851 0.9876 0.9298 0.0299 -0.0614 -0.0032 37 GLN U CD ? ? 1 +22059 O OE1 . GLN P 29 0.5992 0.9969 0.9379 0.0306 -0.0561 0.0001 37 GLN U OE1 ? ? 1 +22060 N NE2 . GLN P 29 0.5941 1.0050 0.9481 0.0300 -0.0698 -0.0049 37 GLN U NE2 ? ? 1 +22061 C C . GLN P 29 0.5892 0.9551 0.8838 0.0367 -0.0608 -0.0115 37 GLN U C ? ? 1 +22062 O O . GLN P 29 0.5946 0.9618 0.8887 0.0381 -0.0700 -0.0145 37 GLN U O ? ? 1 +22063 N N . TYR P 30 0.6033 0.9564 0.8808 0.0388 -0.0544 -0.0100 38 TYR U N ? ? 1 +22064 C CA . TYR P 30 0.6233 0.9623 0.8793 0.0432 -0.0579 -0.0118 38 TYR U CA ? ? 1 +22065 C CB . TYR P 30 0.6359 0.9663 0.8782 0.0466 -0.0581 -0.0090 38 TYR U CB ? ? 1 +22066 C CG . TYR P 30 0.6273 0.9672 0.8804 0.0468 -0.0653 -0.0083 38 TYR U CG ? ? 1 +22067 C CD1 . TYR P 30 0.6277 0.9711 0.8824 0.0486 -0.0764 -0.0116 38 TYR U CD1 ? ? 1 +22068 C CD2 . TYR P 30 0.6160 0.9617 0.8783 0.0449 -0.0609 -0.0046 38 TYR U CD2 ? ? 1 +22069 C CE1 . TYR P 30 0.6181 0.9706 0.8832 0.0489 -0.0828 -0.0111 38 TYR U CE1 ? ? 1 +22070 C CE2 . TYR P 30 0.6098 0.9640 0.8820 0.0452 -0.0672 -0.0040 38 TYR U CE2 ? ? 1 +22071 C CZ . TYR P 30 0.6097 0.9676 0.8834 0.0473 -0.0781 -0.0073 38 TYR U CZ ? ? 1 +22072 O OH . TYR P 30 0.6030 0.9698 0.8870 0.0477 -0.0841 -0.0068 38 TYR U OH ? ? 1 +22073 C C . TYR P 30 0.6349 0.9643 0.8798 0.0435 -0.0506 -0.0126 38 TYR U C ? ? 1 +22074 O O . TYR P 30 0.6462 0.9781 0.8974 0.0409 -0.0414 -0.0107 38 TYR U O ? ? 1 +22075 N N . ARG P 31 0.6477 0.9664 0.8764 0.0467 -0.0549 -0.0156 39 ARG U N ? ? 1 +22076 C CA . ARG P 31 0.6570 0.9666 0.8750 0.0473 -0.0493 -0.0171 39 ARG U CA ? ? 1 +22077 C CB . ARG P 31 0.6841 0.9843 0.8871 0.0507 -0.0574 -0.0213 39 ARG U CB ? ? 1 +22078 C CG . ARG P 31 0.7060 0.9982 0.9001 0.0510 -0.0527 -0.0237 39 ARG U CG ? ? 1 +22079 C CD . ARG P 31 0.7338 1.0148 0.9103 0.0547 -0.0603 -0.0277 39 ARG U CD ? ? 1 +22080 N NE . ARG P 31 0.7334 1.0227 0.9196 0.0541 -0.0719 -0.0310 39 ARG U NE ? ? 1 +22081 C CZ . ARG P 31 0.7271 1.0264 0.9292 0.0508 -0.0748 -0.0337 39 ARG U CZ ? ? 1 +22082 N NH1 . ARG P 31 0.7223 1.0226 0.9297 0.0484 -0.0680 -0.0342 39 ARG U NH1 ? ? 1 +22083 N NH2 . ARG P 31 0.7260 1.0339 0.9382 0.0499 -0.0849 -0.0362 39 ARG U NH2 ? ? 1 +22084 C C . ARG P 31 0.6570 0.9557 0.8610 0.0485 -0.0390 -0.0138 39 ARG U C ? ? 1 +22085 O O . ARG P 31 0.6657 0.9561 0.8565 0.0513 -0.0394 -0.0118 39 ARG U O ? ? 1 +22086 N N . GLY P 32 0.6452 0.9444 0.8527 0.0464 -0.0296 -0.0134 40 GLY U N ? ? 1 +22087 C CA . GLY P 32 0.6543 0.9419 0.8468 0.0476 -0.0196 -0.0113 40 GLY U CA ? ? 1 +22088 C C . GLY P 32 0.6425 0.9323 0.8392 0.0457 -0.0115 -0.0068 40 GLY U C ? ? 1 +22089 O O . GLY P 32 0.6577 0.9374 0.8413 0.0466 -0.0030 -0.0049 40 GLY U O ? ? 1 +22090 N N . LEU P 33 0.6163 0.9192 0.8311 0.0430 -0.0140 -0.0052 41 LEU U N ? ? 1 +22091 C CA . LEU P 33 0.6071 0.9122 0.8261 0.0412 -0.0075 -0.0011 41 LEU U CA ? ? 1 +22092 C CB . LEU P 33 0.5982 0.9108 0.8259 0.0411 -0.0153 0.0001 41 LEU U CB ? ? 1 +22093 C CG . LEU P 33 0.6138 0.9170 0.8258 0.0456 -0.0242 -0.0006 41 LEU U CG ? ? 1 +22094 C CD1 . LEU P 33 0.6012 0.9137 0.8245 0.0452 -0.0309 0.0006 41 LEU U CD1 ? ? 1 +22095 C CD2 . LEU P 33 0.6373 0.9234 0.8257 0.0488 -0.0191 0.0015 41 LEU U CD2 ? ? 1 +22096 C C . LEU P 33 0.5870 0.9027 0.8232 0.0369 0.0013 0.0002 41 LEU U C ? ? 1 +22097 O O . LEU P 33 0.5893 0.9041 0.8256 0.0353 0.0093 0.0033 41 LEU U O ? ? 1 +22098 N N . TYR P 34 0.5686 0.8943 0.8195 0.0349 -0.0002 -0.0022 42 TYR U N ? ? 1 +22099 C CA . TYR P 34 0.5475 0.8847 0.8164 0.0311 0.0066 -0.0012 42 TYR U CA ? ? 1 +22100 C CB . TYR P 34 0.5243 0.8764 0.8137 0.0287 0.0000 -0.0016 42 TYR U CB ? ? 1 +22101 C CG . TYR P 34 0.5041 0.8692 0.8135 0.0249 0.0055 -0.0007 42 TYR U CG ? ? 1 +22102 C CD1 . TYR P 34 0.4977 0.8669 0.8144 0.0240 0.0077 -0.0030 42 TYR U CD1 ? ? 1 +22103 C CD2 . TYR P 34 0.4905 0.8638 0.8114 0.0223 0.0080 0.0022 42 TYR U CD2 ? ? 1 +22104 C CE1 . TYR P 34 0.4793 0.8605 0.8141 0.0209 0.0121 -0.0022 42 TYR U CE1 ? ? 1 +22105 C CE2 . TYR P 34 0.4720 0.8572 0.8110 0.0190 0.0125 0.0029 42 TYR U CE2 ? ? 1 +22106 C CZ . TYR P 34 0.4671 0.8565 0.8131 0.0185 0.0143 0.0007 42 TYR U CZ ? ? 1 +22107 O OH . TYR P 34 0.4527 0.8539 0.8164 0.0156 0.0182 0.0014 42 TYR U OH ? ? 1 +22108 C C . TYR P 34 0.5510 0.8863 0.8188 0.0312 0.0117 -0.0036 42 TYR U C ? ? 1 +22109 O O . TYR P 34 0.5572 0.8888 0.8197 0.0330 0.0065 -0.0067 42 TYR U O ? ? 1 +22110 N N . PRO P 35 0.5477 0.8857 0.8208 0.0293 0.0220 -0.0023 43 PRO U N ? ? 1 +22111 C CA . PRO P 35 0.5413 0.8839 0.8213 0.0267 0.0286 0.0012 43 PRO U CA ? ? 1 +22112 C CB . PRO P 35 0.5289 0.8812 0.8241 0.0241 0.0359 0.0008 43 PRO U CB ? ? 1 +22113 C CG . PRO P 35 0.5403 0.8851 0.8255 0.0265 0.0377 -0.0022 43 PRO U CG ? ? 1 +22114 C CD . PRO P 35 0.5496 0.8872 0.8237 0.0294 0.0275 -0.0044 43 PRO U CD ? ? 1 +22115 C C . PRO P 35 0.5597 0.8896 0.8222 0.0279 0.0353 0.0036 43 PRO U C ? ? 1 +22116 O O . PRO P 35 0.5547 0.8871 0.8212 0.0259 0.0388 0.0065 43 PRO U O ? ? 1 +22117 N N . THR P 36 0.5822 0.8983 0.8252 0.0309 0.0373 0.0023 44 THR U N ? ? 1 +22118 C CA . THR P 36 0.6002 0.9045 0.8274 0.0316 0.0463 0.0044 44 THR U CA ? ? 1 +22119 C CB . THR P 36 0.6213 0.9114 0.8284 0.0351 0.0483 0.0023 44 THR U CB ? ? 1 +22120 O OG1 . THR P 36 0.6154 0.9111 0.8309 0.0349 0.0487 -0.0008 44 THR U OG1 ? ? 1 +22121 C CG2 . THR P 36 0.6376 0.9166 0.8304 0.0352 0.0595 0.0043 44 THR U CG2 ? ? 1 +22122 C C . THR P 36 0.6092 0.9070 0.8271 0.0322 0.0445 0.0074 44 THR U C ? ? 1 +22123 O O . THR P 36 0.6109 0.9087 0.8304 0.0298 0.0520 0.0102 44 THR U O ? ? 1 +22124 N N . LEU P 37 0.6163 0.9083 0.8244 0.0353 0.0345 0.0066 45 LEU U N ? ? 1 +22125 C CA . LEU P 37 0.6226 0.9075 0.8207 0.0366 0.0321 0.0093 45 LEU U CA ? ? 1 +22126 C CB . LEU P 37 0.6337 0.9110 0.8187 0.0410 0.0209 0.0077 45 LEU U CB ? ? 1 +22127 C CG . LEU P 37 0.6604 0.9185 0.8180 0.0455 0.0212 0.0076 45 LEU U CG ? ? 1 +22128 C CD1 . LEU P 37 0.6734 0.9209 0.8187 0.0449 0.0318 0.0110 45 LEU U CD1 ? ? 1 +22129 C CD2 . LEU P 37 0.6711 0.9243 0.8211 0.0473 0.0208 0.0041 45 LEU U CD2 ? ? 1 +22130 C C . LEU P 37 0.6034 0.9012 0.8201 0.0333 0.0311 0.0116 45 LEU U C ? ? 1 +22131 O O . LEU P 37 0.6094 0.9031 0.8217 0.0325 0.0350 0.0146 45 LEU U O ? ? 1 +22132 N N . ALA P 38 0.5844 0.8971 0.8211 0.0313 0.0260 0.0100 46 ALA U N ? ? 1 +22133 C CA . ALA P 38 0.5663 0.8919 0.8215 0.0281 0.0247 0.0118 46 ALA U CA ? ? 1 +22134 C CB . ALA P 38 0.5463 0.8867 0.8212 0.0265 0.0190 0.0095 46 ALA U CB ? ? 1 +22135 C C . ALA P 38 0.5639 0.8925 0.8255 0.0245 0.0357 0.0144 46 ALA U C ? ? 1 +22136 O O . ALA P 38 0.5609 0.8912 0.8260 0.0229 0.0369 0.0171 46 ALA U O ? ? 1 +22137 N N . LYS P 39 0.5664 0.8955 0.8297 0.0232 0.0437 0.0134 47 LYS U N ? ? 1 +22138 C CA . LYS P 39 0.5658 0.8980 0.8354 0.0197 0.0546 0.0154 47 LYS U CA ? ? 1 +22139 C CB . LYS P 39 0.5705 0.9041 0.8423 0.0191 0.0617 0.0134 47 LYS U CB ? ? 1 +22140 C CG . LYS P 39 0.5740 0.9092 0.8497 0.0159 0.0736 0.0151 47 LYS U CG ? ? 1 +22141 C CD . LYS P 39 0.5783 0.9157 0.8570 0.0157 0.0806 0.0129 47 LYS U CD ? ? 1 +22142 C CE . LYS P 39 0.5791 0.9215 0.8661 0.0119 0.0918 0.0143 47 LYS U CE ? ? 1 +22143 N NZ . LYS P 39 0.5844 0.9294 0.8746 0.0121 0.0991 0.0122 47 LYS U NZ ? ? 1 +22144 C C . LYS P 39 0.5827 0.9017 0.8355 0.0200 0.0601 0.0183 47 LYS U C ? ? 1 +22145 O O . LYS P 39 0.5773 0.8997 0.8365 0.0170 0.0643 0.0207 47 LYS U O ? ? 1 +22146 N N . LEU P 40 0.6039 0.9071 0.8344 0.0238 0.0598 0.0179 48 LEU U N ? ? 1 +22147 C CA . LEU P 40 0.6222 0.9106 0.8339 0.0246 0.0648 0.0206 48 LEU U CA ? ? 1 +22148 C CB . LEU P 40 0.6452 0.9168 0.8327 0.0292 0.0643 0.0194 48 LEU U CB ? ? 1 +22149 C CG . LEU P 40 0.6523 0.9209 0.8358 0.0289 0.0727 0.0177 48 LEU U CG ? ? 1 +22150 C CD1 . LEU P 40 0.6761 0.9271 0.8343 0.0335 0.0719 0.0167 48 LEU U CD1 ? ? 1 +22151 C CD2 . LEU P 40 0.6521 0.9223 0.8404 0.0247 0.0857 0.0197 48 LEU U CD2 ? ? 1 +22152 C C . LEU P 40 0.6213 0.9087 0.8321 0.0251 0.0587 0.0229 48 LEU U C ? ? 1 +22153 O O . LEU P 40 0.6259 0.9091 0.8334 0.0232 0.0645 0.0258 48 LEU U O ? ? 1 +22154 N N . ILE P 41 0.6159 0.9076 0.8301 0.0276 0.0471 0.0215 49 ILE U N ? ? 1 +22155 C CA . ILE P 41 0.6145 0.9059 0.8284 0.0287 0.0406 0.0233 49 ILE U CA ? ? 1 +22156 C CB . ILE P 41 0.6072 0.9033 0.8242 0.0319 0.0275 0.0209 49 ILE U CB ? ? 1 +22157 C CG1 . ILE P 41 0.6277 0.9098 0.8235 0.0368 0.0232 0.0191 49 ILE U CG1 ? ? 1 +22158 C CG2 . ILE P 41 0.5987 0.8985 0.8206 0.0325 0.0206 0.0226 49 ILE U CG2 ? ? 1 +22159 C CD1 . ILE P 41 0.6235 0.9114 0.8240 0.0392 0.0120 0.0158 49 ILE U CD1 ? ? 1 +22160 C C . ILE P 41 0.5998 0.9030 0.8321 0.0241 0.0441 0.0254 49 ILE U C ? ? 1 +22161 O O . ILE P 41 0.6048 0.9027 0.8318 0.0237 0.0457 0.0282 49 ILE U O ? ? 1 +22162 N N . VAL P 42 0.5838 0.9027 0.8372 0.0208 0.0450 0.0240 50 VAL U N ? ? 1 +22163 C CA . VAL P 42 0.5703 0.9015 0.8423 0.0165 0.0473 0.0256 50 VAL U CA ? ? 1 +22164 C CB . VAL P 42 0.5451 0.8934 0.8393 0.0144 0.0444 0.0234 50 VAL U CB ? ? 1 +22165 C CG1 . VAL P 42 0.5257 0.8866 0.8388 0.0099 0.0478 0.0249 50 VAL U CG1 ? ? 1 +22166 C CG2 . VAL P 42 0.5388 0.8912 0.8360 0.0172 0.0325 0.0214 50 VAL U CG2 ? ? 1 +22167 C C . VAL P 42 0.5850 0.9124 0.8549 0.0131 0.0592 0.0278 50 VAL U C ? ? 1 +22168 O O . VAL P 42 0.5830 0.9121 0.8574 0.0106 0.0615 0.0301 50 VAL U O ? ? 1 +22169 N N . LYS P 43 0.6039 0.9260 0.8668 0.0129 0.0669 0.0269 51 LYS U N ? ? 1 +22170 C CA . LYS P 43 0.6183 0.9367 0.8790 0.0094 0.0787 0.0286 51 LYS U CA ? ? 1 +22171 C CB . LYS P 43 0.6381 0.9526 0.8928 0.0099 0.0858 0.0268 51 LYS U CB ? ? 1 +22172 C CG . LYS P 43 0.6518 0.9658 0.9082 0.0058 0.0987 0.0280 51 LYS U CG ? ? 1 +22173 C CD . LYS P 43 0.6426 0.9741 0.9236 0.0010 0.1017 0.0280 51 LYS U CD ? ? 1 +22174 C CE . LYS P 43 0.6350 0.9801 0.9323 0.0009 0.1003 0.0250 51 LYS U CE ? ? 1 +22175 N NZ . LYS P 43 0.6201 0.9820 0.9409 -0.0035 0.1023 0.0250 51 LYS U NZ ? ? 1 +22176 C C . LYS P 43 0.6338 0.9371 0.8764 0.0102 0.0811 0.0317 51 LYS U C ? ? 1 +22177 O O . LYS P 43 0.6324 0.9365 0.8790 0.0065 0.0876 0.0338 51 LYS U O ? ? 1 +22178 N N . ASN P 44 0.6502 0.9398 0.8730 0.0151 0.0757 0.0318 52 ASN U N ? ? 1 +22179 C CA . ASN P 44 0.6697 0.9428 0.8723 0.0166 0.0780 0.0346 52 ASN U CA ? ? 1 +22180 C CB . ASN P 44 0.6922 0.9487 0.8708 0.0214 0.0772 0.0339 52 ASN U CB ? ? 1 +22181 C CG . ASN P 44 0.7028 0.9560 0.8770 0.0201 0.0868 0.0328 52 ASN U CG ? ? 1 +22182 O OD1 . ASN P 44 0.7040 0.9593 0.8784 0.0221 0.0842 0.0300 52 ASN U OD1 ? ? 1 +22183 N ND2 . ASN P 44 0.7111 0.9590 0.8815 0.0166 0.0984 0.0348 52 ASN U ND2 ? ? 1 +22184 C C . ASN P 44 0.6657 0.9382 0.8682 0.0181 0.0700 0.0363 52 ASN U C ? ? 1 +22185 O O . ASN P 44 0.6816 0.9395 0.8662 0.0202 0.0706 0.0386 52 ASN U O ? ? 1 +22186 N N . ALA P 45 0.6482 0.9362 0.8702 0.0171 0.0628 0.0353 53 ALA U N ? ? 1 +22187 C CA . ALA P 45 0.6468 0.9363 0.8715 0.0181 0.0559 0.0369 53 ALA U CA ? ? 1 +22188 C CB . ALA P 45 0.6245 0.9314 0.8699 0.0179 0.0469 0.0348 53 ALA U CB ? ? 1 +22189 C C . ALA P 45 0.6481 0.9371 0.8765 0.0139 0.0635 0.0398 53 ALA U C ? ? 1 +22190 O O . ALA P 45 0.6463 0.9392 0.8820 0.0094 0.0729 0.0400 53 ALA U O ? ? 1 +22191 N N . PRO P 46 0.6536 0.9381 0.8779 0.0149 0.0599 0.0419 54 PRO U N ? ? 1 +22192 C CA . PRO P 46 0.6591 0.9400 0.8761 0.0203 0.0486 0.0417 54 PRO U CA ? ? 1 +22193 C CB . PRO P 46 0.6498 0.9354 0.8756 0.0187 0.0468 0.0437 54 PRO U CB ? ? 1 +22194 C CG . PRO P 46 0.6558 0.9357 0.8791 0.0139 0.0587 0.0461 54 PRO U CG ? ? 1 +22195 C CD . PRO P 46 0.6514 0.9356 0.8800 0.0107 0.0665 0.0446 54 PRO U CD ? ? 1 +22196 C C . PRO P 46 0.6880 0.9490 0.8779 0.0255 0.0475 0.0427 54 PRO U C ? ? 1 +22197 O O . PRO P 46 0.7011 0.9494 0.8764 0.0247 0.0562 0.0441 54 PRO U O ? ? 1 +22198 N N . TYR P 47 0.6974 0.9562 0.8813 0.0308 0.0366 0.0418 55 TYR U N ? ? 1 +22199 C CA . TYR P 47 0.7239 0.9649 0.8828 0.0367 0.0330 0.0423 55 TYR U CA ? ? 1 +22200 C CB . TYR P 47 0.7188 0.9617 0.8749 0.0406 0.0253 0.0389 55 TYR U CB ? ? 1 +22201 C CG . TYR P 47 0.7060 0.9552 0.8697 0.0374 0.0309 0.0367 55 TYR U CG ? ? 1 +22202 C CD1 . TYR P 47 0.6764 0.9443 0.8640 0.0340 0.0293 0.0347 55 TYR U CD1 ? ? 1 +22203 C CD2 . TYR P 47 0.7196 0.9557 0.8663 0.0380 0.0382 0.0369 55 TYR U CD2 ? ? 1 +22204 C CE1 . TYR P 47 0.6687 0.9420 0.8629 0.0315 0.0344 0.0327 55 TYR U CE1 ? ? 1 +22205 C CE2 . TYR P 47 0.7097 0.9514 0.8632 0.0355 0.0436 0.0348 55 TYR U CE2 ? ? 1 +22206 C CZ . TYR P 47 0.6849 0.9453 0.8624 0.0323 0.0415 0.0327 55 TYR U CZ ? ? 1 +22207 O OH . TYR P 47 0.6751 0.9406 0.8588 0.0302 0.0467 0.0307 55 TYR U OH ? ? 1 +22208 C C . TYR P 47 0.7421 0.9789 0.8959 0.0402 0.0261 0.0441 55 TYR U C ? ? 1 +22209 O O . TYR P 47 0.7207 0.9708 0.8913 0.0396 0.0199 0.0434 55 TYR U O ? ? 1 +22210 N N . GLU P 48 0.7909 1.0087 0.9211 0.0439 0.0272 0.0463 56 GLU U N ? ? 1 +22211 C CA . GLU P 48 0.8194 1.0315 0.9424 0.0481 0.0203 0.0479 56 GLU U CA ? ? 1 +22212 C CB . GLU P 48 0.8717 1.0625 0.9707 0.0497 0.0267 0.0514 56 GLU U CB ? ? 1 +22213 C CG . GLU P 48 0.8924 1.0840 0.9987 0.0429 0.0383 0.0539 56 GLU U CG ? ? 1 +22214 C CD . GLU P 48 0.9467 1.1193 1.0331 0.0439 0.0436 0.0576 56 GLU U CD ? ? 1 +22215 O OE1 . GLU P 48 0.9889 1.1439 1.0531 0.0457 0.0487 0.0588 56 GLU U OE1 ? ? 1 +22216 O OE2 . GLU P 48 0.9723 1.1469 1.0645 0.0431 0.0423 0.0593 56 GLU U OE2 ? ? 1 +22217 C C . GLU P 48 0.8151 1.0282 0.9337 0.0547 0.0074 0.0454 56 GLU U C ? ? 1 +22218 O O . GLU P 48 0.8033 1.0215 0.9275 0.0574 -0.0008 0.0453 56 GLU U O ? ? 1 +22219 N N . SER P 49 0.8239 1.0321 0.9324 0.0571 0.0057 0.0432 57 SER U N ? ? 1 +22220 C CA . SER P 49 0.8302 1.0409 0.9363 0.0627 -0.0065 0.0401 57 SER U CA ? ? 1 +22221 C CB . SER P 49 0.8631 1.0542 0.9421 0.0697 -0.0107 0.0412 57 SER U CB ? ? 1 +22222 O OG . SER P 49 0.8920 1.0681 0.9515 0.0703 -0.0040 0.0416 57 SER U OG ? ? 1 +22223 C C . SER P 49 0.8258 1.0427 0.9370 0.0614 -0.0067 0.0367 57 SER U C ? ? 1 +22224 O O . SER P 49 0.8277 1.0428 0.9385 0.0576 0.0028 0.0371 57 SER U O ? ? 1 +22225 N N . VAL P 50 0.8219 1.0460 0.9376 0.0649 -0.0178 0.0334 58 VAL U N ? ? 1 +22226 C CA . VAL P 50 0.8133 1.0447 0.9358 0.0638 -0.0196 0.0298 58 VAL U CA ? ? 1 +22227 C CB . VAL P 50 0.8043 1.0444 0.9331 0.0675 -0.0331 0.0262 58 VAL U CB ? ? 1 +22228 C CG1 . VAL P 50 0.8014 1.0470 0.9347 0.0667 -0.0353 0.0224 58 VAL U CG1 ? ? 1 +22229 C CG2 . VAL P 50 0.7829 1.0401 0.9346 0.0654 -0.0378 0.0262 58 VAL U CG2 ? ? 1 +22230 C C . VAL P 50 0.8384 1.0538 0.9395 0.0653 -0.0138 0.0297 58 VAL U C ? ? 1 +22231 O O . VAL P 50 0.8377 1.0569 0.9444 0.0618 -0.0078 0.0284 58 VAL U O ? ? 1 +22232 N N . GLU P 51 0.8653 1.0626 0.9417 0.0706 -0.0155 0.0311 59 GLU U N ? ? 1 +22233 C CA . GLU P 51 0.8909 1.0712 0.9442 0.0730 -0.0109 0.0310 59 GLU U CA ? ? 1 +22234 C CB . GLU P 51 0.9334 1.0944 0.9600 0.0798 -0.0153 0.0326 59 GLU U CB ? ? 1 +22235 C CG . GLU P 51 0.9577 1.1214 0.9827 0.0858 -0.0298 0.0300 59 GLU U CG ? ? 1 +22236 C CD . GLU P 51 0.9782 1.1505 1.0151 0.0867 -0.0360 0.0312 59 GLU U CD ? ? 1 +22237 O OE1 . GLU P 51 0.9733 1.1569 1.0287 0.0814 -0.0308 0.0328 59 GLU U OE1 ? ? 1 +22238 O OE2 . GLU P 51 1.0166 1.1840 1.0435 0.0930 -0.0461 0.0305 59 GLU U OE2 ? ? 1 +22239 C C . GLU P 51 0.8765 1.0512 0.9270 0.0680 0.0036 0.0334 59 GLU U C ? ? 1 +22240 O O . GLU P 51 0.8836 1.0486 0.9207 0.0686 0.0086 0.0326 59 GLU U O ? ? 1 +22241 N N . ASP P 52 0.8538 1.0346 0.9168 0.0633 0.0104 0.0361 60 ASP U N ? ? 1 +22242 C CA . ASP P 52 0.8531 1.0302 0.9156 0.0581 0.0243 0.0382 60 ASP U CA ? ? 1 +22243 C CB . ASP P 52 0.8391 1.0238 0.9163 0.0533 0.0295 0.0410 60 ASP U CB ? ? 1 +22244 C CG . ASP P 52 0.8520 1.0238 0.9149 0.0559 0.0288 0.0444 60 ASP U CG ? ? 1 +22245 O OD1 . ASP P 52 0.8788 1.0328 0.9171 0.0612 0.0269 0.0452 60 ASP U OD1 ? ? 1 +22246 O OD2 . ASP P 52 0.8400 1.0192 0.9158 0.0529 0.0301 0.0462 60 ASP U OD2 ? ? 1 +22247 C C . ASP P 52 0.8381 1.0255 0.9133 0.0544 0.0288 0.0356 60 ASP U C ? ? 1 +22248 O O . ASP P 52 0.8455 1.0271 0.9153 0.0515 0.0397 0.0365 60 ASP U O ? ? 1 +22249 N N . VAL P 53 0.8210 1.0235 0.9129 0.0545 0.0205 0.0323 61 VAL U N ? ? 1 +22250 C CA . VAL P 53 0.8045 1.0170 0.9088 0.0514 0.0237 0.0295 61 VAL U CA ? ? 1 +22251 C CB . VAL P 53 0.7796 1.0089 0.9031 0.0516 0.0130 0.0262 61 VAL U CB ? ? 1 +22252 C CG1 . VAL P 53 0.7905 1.0130 0.9005 0.0574 0.0024 0.0234 61 VAL U CG1 ? ? 1 +22253 C CG2 . VAL P 53 0.7613 1.0045 0.9038 0.0470 0.0174 0.0242 61 VAL U CG2 ? ? 1 +22254 C C . VAL P 53 0.8274 1.0257 0.9114 0.0540 0.0275 0.0283 61 VAL U C ? ? 1 +22255 O O . VAL P 53 0.8202 1.0219 0.9094 0.0510 0.0347 0.0271 61 VAL U O ? ? 1 +22256 N N . LEU P 54 0.8548 1.0369 0.9152 0.0597 0.0225 0.0285 62 LEU U N ? ? 1 +22257 C CA . LEU P 54 0.8827 1.0494 0.9211 0.0628 0.0254 0.0274 62 LEU U CA ? ? 1 +22258 C CB . LEU P 54 0.9013 1.0542 0.9180 0.0699 0.0154 0.0269 62 LEU U CB ? ? 1 +22259 C CG . LEU P 54 0.8928 1.0565 0.9192 0.0727 0.0015 0.0230 62 LEU U CG ? ? 1 +22260 C CD1 . LEU P 54 0.9076 1.0598 0.9155 0.0796 -0.0091 0.0228 62 LEU U CD1 ? ? 1 +22261 C CD2 . LEU P 54 0.8910 1.0578 0.9194 0.0723 0.0012 0.0192 62 LEU U CD2 ? ? 1 +22262 C C . LEU P 54 0.9083 1.0624 0.9337 0.0605 0.0394 0.0303 62 LEU U C ? ? 1 +22263 O O . LEU P 54 0.9316 1.0744 0.9411 0.0620 0.0441 0.0294 62 LEU U O ? ? 1 +22264 N N . ASN P 55 0.9127 1.0686 0.9447 0.0567 0.0461 0.0337 63 ASN U N ? ? 1 +22265 C CA . ASN P 55 0.9343 1.0792 0.9557 0.0538 0.0598 0.0366 63 ASN U CA ? ? 1 +22266 C CB . ASN P 55 0.9453 1.0824 0.9602 0.0534 0.0618 0.0406 63 ASN U CB ? ? 1 +22267 C CG . ASN P 55 0.9708 1.0912 0.9619 0.0602 0.0541 0.0416 63 ASN U CG ? ? 1 +22268 O OD1 . ASN P 55 0.9916 1.1005 0.9642 0.0651 0.0505 0.0400 63 ASN U OD1 ? ? 1 +22269 N ND2 . ASN P 55 0.9755 1.0939 0.9664 0.0608 0.0512 0.0442 63 ASN U ND2 ? ? 1 +22270 C C . ASN P 55 0.9222 1.0804 0.9635 0.0472 0.0699 0.0361 63 ASN U C ? ? 1 +22271 O O . ASN P 55 0.9401 1.0925 0.9774 0.0437 0.0817 0.0385 63 ASN U O ? ? 1 +22272 N N . ILE P 56 0.8987 1.0746 0.9614 0.0455 0.0656 0.0331 64 ILE U N ? ? 1 +22273 C CA . ILE P 56 0.8852 1.0737 0.9664 0.0400 0.0745 0.0323 64 ILE U CA ? ? 1 +22274 C CB . ILE P 56 0.8554 1.0633 0.9601 0.0389 0.0674 0.0290 64 ILE U CB ? ? 1 +22275 C CG1 . ILE P 56 0.8331 1.0534 0.9547 0.0377 0.0598 0.0299 64 ILE U CG1 ? ? 1 +22276 C CG2 . ILE P 56 0.8450 1.0640 0.9656 0.0342 0.0766 0.0278 64 ILE U CG2 ? ? 1 +22277 C CD1 . ILE P 56 0.8138 1.0505 0.9550 0.0373 0.0514 0.0269 64 ILE U CD1 ? ? 1 +22278 C C . ILE P 56 0.9119 1.0888 0.9778 0.0402 0.0845 0.0319 64 ILE U C ? ? 1 +22279 O O . ILE P 56 0.9267 1.0951 0.9783 0.0444 0.0808 0.0298 64 ILE U O ? ? 1 +22280 N N . PRO P 57 0.9297 1.1053 0.9973 0.0356 0.0975 0.0338 65 PRO U N ? ? 1 +22281 C CA . PRO P 57 0.9511 1.1157 1.0042 0.0356 0.1079 0.0334 65 PRO U CA ? ? 1 +22282 C CB . PRO P 57 0.9515 1.1187 1.0124 0.0296 0.1210 0.0359 65 PRO U CB ? ? 1 +22283 C CG . PRO P 57 0.9406 1.1124 1.0103 0.0277 0.1170 0.0384 65 PRO U CG ? ? 1 +22284 C CD . PRO P 57 0.9201 1.1038 1.0025 0.0303 0.1030 0.0363 65 PRO U CD ? ? 1 +22285 C C . PRO P 57 0.9441 1.1173 1.0059 0.0361 0.1074 0.0296 65 PRO U C ? ? 1 +22286 O O . PRO P 57 0.9255 1.1170 1.0112 0.0334 0.1051 0.0278 65 PRO U O ? ? 1 +22287 N N . GLY P 58 0.9671 1.1263 1.0084 0.0398 0.1094 0.0283 66 GLY U N ? ? 1 +22288 C CA . GLY P 58 0.9644 1.1288 1.0104 0.0402 0.1113 0.0248 66 GLY U CA ? ? 1 +22289 C C . GLY P 58 0.9572 1.1269 1.0068 0.0440 0.0984 0.0213 66 GLY U C ? ? 1 +22290 O O . GLY P 58 0.9588 1.1340 1.0143 0.0443 0.0991 0.0183 66 GLY U O ? ? 1 +22291 N N . LEU P 59 0.9555 1.1239 1.0020 0.0468 0.0867 0.0217 67 LEU U N ? ? 1 +22292 C CA . LEU P 59 0.9500 1.1226 0.9988 0.0504 0.0740 0.0184 67 LEU U CA ? ? 1 +22293 C CB . LEU P 59 0.9466 1.1186 0.9934 0.0529 0.0624 0.0193 67 LEU U CB ? ? 1 +22294 C CG . LEU P 59 0.9214 1.1098 0.9917 0.0492 0.0595 0.0207 67 LEU U CG ? ? 1 +22295 C CD1 . LEU P 59 0.9234 1.1078 0.9872 0.0525 0.0492 0.0220 67 LEU U CD1 ? ? 1 +22296 C CD2 . LEU P 59 0.8961 1.1035 0.9909 0.0469 0.0550 0.0177 67 LEU U CD2 ? ? 1 +22297 C C . LEU P 59 0.9741 1.1316 1.0003 0.0549 0.0737 0.0161 67 LEU U C ? ? 1 +22298 O O . LEU P 59 1.0006 1.1404 1.0034 0.0572 0.0786 0.0179 67 LEU U O ? ? 1 +22299 N N . THR P 60 0.9729 1.1368 1.0055 0.0562 0.0678 0.0122 68 THR U N ? ? 1 +22300 C CA . THR P 60 0.9983 1.1482 1.0097 0.0609 0.0651 0.0096 68 THR U CA ? ? 1 +22301 C CB . THR P 60 0.9840 1.1432 1.0070 0.0605 0.0636 0.0055 68 THR U CB ? ? 1 +22302 O OG1 . THR P 60 0.9687 1.1417 1.0092 0.0601 0.0519 0.0035 68 THR U OG1 ? ? 1 +22303 C CG2 . THR P 60 0.9667 1.1357 1.0054 0.0560 0.0756 0.0058 68 THR U CG2 ? ? 1 +22304 C C . THR P 60 1.0227 1.1646 1.0206 0.0657 0.0523 0.0092 68 THR U C ? ? 1 +22305 O O . THR P 60 1.0157 1.1649 1.0234 0.0651 0.0456 0.0106 68 THR U O ? ? 1 +22306 N N . GLU P 61 1.0602 1.1869 1.0352 0.0706 0.0490 0.0072 69 GLU U N ? ? 1 +22307 C CA . GLU P 61 1.0879 1.2065 1.0489 0.0756 0.0365 0.0063 69 GLU U CA ? ? 1 +22308 C CB . GLU P 61 1.1383 1.2368 1.0700 0.0808 0.0364 0.0048 69 GLU U CB ? ? 1 +22309 C CG . GLU P 61 1.1783 1.2593 1.0884 0.0815 0.0480 0.0084 69 GLU U CG ? ? 1 +22310 C CD . GLU P 61 1.2079 1.2851 1.1145 0.0815 0.0481 0.0127 69 GLU U CD ? ? 1 +22311 O OE1 . GLU P 61 1.2323 1.3091 1.1363 0.0847 0.0363 0.0125 69 GLU U OE1 ? ? 1 +22312 O OE2 . GLU P 61 1.2246 1.2992 1.1313 0.0781 0.0600 0.0162 69 GLU U OE2 ? ? 1 +22313 C C . GLU P 61 1.0674 1.2013 1.0470 0.0755 0.0237 0.0029 69 GLU U C ? ? 1 +22314 O O . GLU P 61 1.0499 1.1860 1.0307 0.0775 0.0137 0.0031 69 GLU U O ? ? 1 +22315 N N . ARG P 62 1.0587 1.2032 1.0529 0.0732 0.0246 -0.0002 70 ARG U N ? ? 1 +22316 C CA . ARG P 62 1.0441 1.2034 1.0570 0.0723 0.0138 -0.0034 70 ARG U CA ? ? 1 +22317 C CB . ARG P 62 1.0710 1.2368 1.0937 0.0704 0.0169 -0.0068 70 ARG U CB ? ? 1 +22318 C CG . ARG P 62 1.0973 1.2766 1.1374 0.0695 0.0058 -0.0104 70 ARG U CG ? ? 1 +22319 C CD . ARG P 62 1.1351 1.3199 1.1842 0.0678 0.0091 -0.0136 70 ARG U CD ? ? 1 +22320 N NE . ARG P 62 1.1634 1.3608 1.2292 0.0666 -0.0012 -0.0169 70 ARG U NE ? ? 1 +22321 C CZ . ARG P 62 1.1586 1.3730 1.2495 0.0623 -0.0009 -0.0169 70 ARG U CZ ? ? 1 +22322 N NH1 . ARG P 62 1.1663 1.3881 1.2698 0.0589 0.0091 -0.0140 70 ARG U NH1 ? ? 1 +22323 N NH2 . ARG P 62 1.1331 1.3570 1.2366 0.0615 -0.0107 -0.0200 70 ARG U NH2 ? ? 1 +22324 C C . ARG P 62 0.9937 1.1696 1.0302 0.0686 0.0117 -0.0013 70 ARG U C ? ? 1 +22325 O O . ARG P 62 0.9825 1.1667 1.0285 0.0692 0.0007 -0.0027 70 ARG U O ? ? 1 +22326 N N . GLN P 63 0.9566 1.1372 1.0026 0.0646 0.0224 0.0020 71 GLN U N ? ? 1 +22327 C CA . GLN P 63 0.9140 1.1096 0.9817 0.0609 0.0214 0.0042 71 GLN U CA ? ? 1 +22328 C CB . GLN P 63 0.8978 1.0982 0.9754 0.0563 0.0346 0.0070 71 GLN U CB ? ? 1 +22329 C CG . GLN P 63 0.8787 1.0888 0.9706 0.0535 0.0400 0.0047 71 GLN U CG ? ? 1 +22330 C CD . GLN P 63 0.8640 1.0787 0.9649 0.0493 0.0530 0.0071 71 GLN U CD ? ? 1 +22331 O OE1 . GLN P 63 0.8802 1.0838 0.9674 0.0493 0.0615 0.0097 71 GLN U OE1 ? ? 1 +22332 N NE2 . GLN P 63 0.8411 1.0720 0.9651 0.0456 0.0548 0.0061 71 GLN U NE2 ? ? 1 +22333 C C . GLN P 63 0.9199 1.1102 0.9793 0.0635 0.0147 0.0064 71 GLN U C ? ? 1 +22334 O O . GLN P 63 0.9147 1.1168 0.9892 0.0627 0.0067 0.0062 71 GLN U O ? ? 1 +22335 N N . LYS P 64 0.9404 1.1127 0.9752 0.0669 0.0179 0.0085 72 LYS U N ? ? 1 +22336 C CA . LYS P 64 0.9439 1.1089 0.9678 0.0702 0.0115 0.0105 72 LYS U CA ? ? 1 +22337 C CB . LYS P 64 0.9835 1.1270 0.9791 0.0734 0.0178 0.0130 72 LYS U CB ? ? 1 +22338 C CG . LYS P 64 0.9954 1.1359 0.9912 0.0694 0.0321 0.0169 72 LYS U CG ? ? 1 +22339 C CD . LYS P 64 1.0371 1.1549 1.0032 0.0727 0.0385 0.0190 72 LYS U CD ? ? 1 +22340 C CE . LYS P 64 1.0508 1.1651 1.0164 0.0683 0.0537 0.0223 72 LYS U CE ? ? 1 +22341 N NZ . LYS P 64 1.0850 1.1781 1.0225 0.0710 0.0613 0.0234 72 LYS U NZ ? ? 1 +22342 C C . LYS P 64 0.9320 1.0988 0.9542 0.0743 -0.0033 0.0072 72 LYS U C ? ? 1 +22343 O O . LYS P 64 0.9319 1.1022 0.9576 0.0758 -0.0110 0.0081 72 LYS U O ? ? 1 +22344 N N . GLN P 65 0.9297 1.0941 0.9465 0.0761 -0.0072 0.0032 73 GLN U N ? ? 1 +22345 C CA . GLN P 65 0.9246 1.0912 0.9405 0.0796 -0.0210 -0.0005 73 GLN U CA ? ? 1 +22346 C CB . GLN P 65 0.9432 1.1026 0.9477 0.0816 -0.0226 -0.0046 73 GLN U CB ? ? 1 +22347 C CG . GLN P 65 0.9720 1.1187 0.9551 0.0879 -0.0333 -0.0070 73 GLN U CG ? ? 1 +22348 C CD . GLN P 65 0.9983 1.1353 0.9673 0.0897 -0.0325 -0.0105 73 GLN U CD ? ? 1 +22349 O OE1 . GLN P 65 0.9899 1.1362 0.9727 0.0867 -0.0316 -0.0133 73 GLN U OE1 ? ? 1 +22350 N NE2 . GLN P 65 1.0310 1.1484 0.9717 0.0948 -0.0323 -0.0104 73 GLN U NE2 ? ? 1 +22351 C C . GLN P 65 0.8884 1.0760 0.9325 0.0761 -0.0275 -0.0019 73 GLN U C ? ? 1 +22352 O O . GLN P 65 0.8874 1.0797 0.9355 0.0781 -0.0379 -0.0027 73 GLN U O ? ? 1 +22353 N N . ILE P 66 0.8604 1.0603 0.9238 0.0710 -0.0211 -0.0022 74 ILE U N ? ? 1 +22354 C CA . ILE P 66 0.8258 1.0452 0.9161 0.0673 -0.0259 -0.0033 74 ILE U CA ? ? 1 +22355 C CB . ILE P 66 0.8056 1.0352 0.9127 0.0624 -0.0176 -0.0038 74 ILE U CB ? ? 1 +22356 C CG1 . ILE P 66 0.8150 1.0398 0.9151 0.0636 -0.0186 -0.0078 74 ILE U CG1 ? ? 1 +22357 C CG2 . ILE P 66 0.7772 1.0265 0.9121 0.0582 -0.0206 -0.0038 74 ILE U CG2 ? ? 1 +22358 C CD1 . ILE P 66 0.8030 1.0364 0.9177 0.0596 -0.0110 -0.0087 74 ILE U CD1 ? ? 1 +22359 C C . ILE P 66 0.8140 1.0401 0.9138 0.0663 -0.0273 0.0001 74 ILE U C ? ? 1 +22360 O O . ILE P 66 0.7991 1.0364 0.9125 0.0661 -0.0363 -0.0011 74 ILE U O ? ? 1 +22361 N N . LEU P 67 0.8179 1.0369 0.9105 0.0656 -0.0181 0.0042 75 LEU U N ? ? 1 +22362 C CA . LEU P 67 0.8065 1.0302 0.9065 0.0647 -0.0186 0.0075 75 LEU U CA ? ? 1 +22363 C CB . LEU P 67 0.8067 1.0223 0.8993 0.0628 -0.0061 0.0117 75 LEU U CB ? ? 1 +22364 C CG . LEU P 67 0.7852 1.0106 0.8943 0.0571 0.0045 0.0124 75 LEU U CG ? ? 1 +22365 C CD1 . LEU P 67 0.7940 1.0098 0.8934 0.0554 0.0168 0.0161 75 LEU U CD1 ? ? 1 +22366 C CD2 . LEU P 67 0.7576 1.0021 0.8934 0.0531 0.0019 0.0126 75 LEU U CD2 ? ? 1 +22367 C C . LEU P 67 0.8238 1.0411 0.9119 0.0700 -0.0294 0.0072 75 LEU U C ? ? 1 +22368 O O . LEU P 67 0.8156 1.0431 0.9167 0.0696 -0.0356 0.0077 75 LEU U O ? ? 1 +22369 N N . ARG P 68 0.8587 1.0594 0.9222 0.0750 -0.0317 0.0063 76 ARG U N ? ? 1 +22370 C CA . ARG P 68 0.8876 1.0813 0.9382 0.0807 -0.0425 0.0057 76 ARG U CA ? ? 1 +22371 C CB . ARG P 68 0.9273 1.1001 0.9478 0.0860 -0.0424 0.0052 76 ARG U CB ? ? 1 +22372 C CG . ARG P 68 0.9574 1.1138 0.9584 0.0877 -0.0342 0.0098 76 ARG U CG ? ? 1 +22373 C CD . ARG P 68 0.9971 1.1330 0.9678 0.0941 -0.0373 0.0092 76 ARG U CD ? ? 1 +22374 N NE . ARG P 68 1.0270 1.1538 0.9859 0.0938 -0.0306 0.0077 76 ARG U NE ? ? 1 +22375 C CZ . ARG P 68 1.0502 1.1678 1.0004 0.0914 -0.0173 0.0104 76 ARG U CZ ? ? 1 +22376 N NH1 . ARG P 68 1.0539 1.1697 1.0054 0.0890 -0.0090 0.0149 76 ARG U NH1 ? ? 1 +22377 N NH2 . ARG P 68 1.0575 1.1674 0.9969 0.0916 -0.0122 0.0086 76 ARG U NH2 ? ? 1 +22378 C C . ARG P 68 0.8763 1.0835 0.9413 0.0814 -0.0553 0.0017 76 ARG U C ? ? 1 +22379 O O . ARG P 68 0.8667 1.0780 0.9354 0.0837 -0.0635 0.0019 76 ARG U O ? ? 1 +22380 N N . GLU P 69 0.8773 1.0912 0.9508 0.0794 -0.0568 -0.0020 77 GLU U N ? ? 1 +22381 C CA . GLU P 69 0.8674 1.0943 0.9558 0.0791 -0.0681 -0.0061 77 GLU U CA ? ? 1 +22382 C CB . GLU P 69 0.8755 1.1064 0.9699 0.0766 -0.0672 -0.0098 77 GLU U CB ? ? 1 +22383 C CG . GLU P 69 0.9094 1.1241 0.9801 0.0807 -0.0684 -0.0123 77 GLU U CG ? ? 1 +22384 C CD . GLU P 69 0.9138 1.1319 0.9901 0.0781 -0.0671 -0.0159 77 GLU U CD ? ? 1 +22385 O OE1 . GLU P 69 0.8863 1.1192 0.9851 0.0733 -0.0651 -0.0165 77 GLU U OE1 ? ? 1 +22386 O OE2 . GLU P 69 0.9421 1.1473 0.9996 0.0812 -0.0680 -0.0183 77 GLU U OE2 ? ? 1 +22387 C C . GLU P 69 0.8383 1.0834 0.9522 0.0754 -0.0700 -0.0050 77 GLU U C ? ? 1 +22388 O O . GLU P 69 0.8424 1.0968 0.9659 0.0764 -0.0804 -0.0075 77 GLU U O ? ? 1 +22389 N N . ASN P 70 0.8204 1.0704 0.9448 0.0712 -0.0601 -0.0016 78 ASN U N ? ? 1 +22390 C CA . ASN P 70 0.7928 1.0604 0.9423 0.0670 -0.0605 -0.0006 78 ASN U CA ? ? 1 +22391 C CB . ASN P 70 0.7794 1.0549 0.9433 0.0614 -0.0511 -0.0001 78 ASN U CB ? ? 1 +22392 C CG . ASN P 70 0.7719 1.0522 0.9419 0.0601 -0.0539 -0.0043 78 ASN U CG ? ? 1 +22393 O OD1 . ASN P 70 0.7804 1.0531 0.9414 0.0599 -0.0481 -0.0052 78 ASN U OD1 ? ? 1 +22394 N ND2 . ASN P 70 0.7551 1.0483 0.9410 0.0589 -0.0625 -0.0070 78 ASN U ND2 ? ? 1 +22395 C C . ASN P 70 0.7862 1.0540 0.9370 0.0674 -0.0590 0.0034 78 ASN U C ? ? 1 +22396 O O . ASN P 70 0.7681 1.0495 0.9389 0.0638 -0.0582 0.0045 78 ASN U O ? ? 1 +22397 N N . LEU P 71 0.8057 1.0580 0.9350 0.0719 -0.0587 0.0055 79 LEU U N ? ? 1 +22398 C CA . LEU P 71 0.8071 1.0578 0.9358 0.0725 -0.0568 0.0094 79 LEU U CA ? ? 1 +22399 C CB . LEU P 71 0.8328 1.0634 0.9340 0.0779 -0.0562 0.0114 79 LEU U CB ? ? 1 +22400 C CG . LEU P 71 0.8482 1.0638 0.9322 0.0772 -0.0447 0.0135 79 LEU U CG ? ? 1 +22401 C CD1 . LEU P 71 0.8734 1.0691 0.9303 0.0827 -0.0446 0.0159 79 LEU U CD1 ? ? 1 +22402 C CD2 . LEU P 71 0.8347 1.0568 0.9322 0.0710 -0.0328 0.0164 79 LEU U CD2 ? ? 1 +22403 C C . LEU P 71 0.7998 1.0641 0.9445 0.0731 -0.0665 0.0084 79 LEU U C ? ? 1 +22404 O O . LEU P 71 0.7836 1.0557 0.9411 0.0706 -0.0636 0.0110 79 LEU U O ? ? 1 +22405 N N . GLU P 72 0.8149 1.0820 0.9590 0.0765 -0.0777 0.0046 80 GLU U N ? ? 1 +22406 C CA . GLU P 72 0.8121 1.0925 0.9713 0.0773 -0.0874 0.0032 80 GLU U CA ? ? 1 +22407 C CB . GLU P 72 0.8539 1.1347 1.0085 0.0813 -0.0994 -0.0015 80 GLU U CB ? ? 1 +22408 C CG . GLU P 72 0.8900 1.1740 1.0487 0.0786 -0.0997 -0.0053 80 GLU U CG ? ? 1 +22409 C CD . GLU P 72 0.9423 1.2235 1.0924 0.0828 -0.1109 -0.0100 80 GLU U CD ? ? 1 +22410 O OE1 . GLU P 72 0.9963 1.2626 1.1239 0.0884 -0.1139 -0.0100 80 GLU U OE1 ? ? 1 +22411 O OE2 . GLU P 72 0.9547 1.2486 1.1206 0.0803 -0.1168 -0.0137 80 GLU U OE2 ? ? 1 +22412 C C . GLU P 72 0.7598 1.0591 0.9465 0.0712 -0.0854 0.0030 80 GLU U C ? ? 1 +22413 O O . GLU P 72 0.7396 1.0496 0.9399 0.0710 -0.0900 0.0034 80 GLU U O ? ? 1 +22414 N N . HIS P 73 0.7303 1.0334 0.9248 0.0665 -0.0784 0.0025 81 HIS U N ? ? 1 +22415 C CA . HIS P 73 0.6909 1.0104 0.9100 0.0607 -0.0753 0.0027 81 HIS U CA ? ? 1 +22416 C CB . HIS P 73 0.6884 1.0118 0.9138 0.0574 -0.0726 0.0000 81 HIS U CB ? ? 1 +22417 C CG . HIS P 73 0.7004 1.0237 0.9222 0.0597 -0.0818 -0.0046 81 HIS U CG ? ? 1 +22418 N ND1 . HIS P 73 0.6965 1.0298 0.9288 0.0606 -0.0923 -0.0072 81 HIS U ND1 ? ? 1 +22419 C CE1 . HIS P 73 0.7062 1.0364 0.9319 0.0623 -0.0985 -0.0113 81 HIS U CE1 ? ? 1 +22420 N NE2 . HIS P 73 0.7207 1.0390 0.9319 0.0627 -0.0926 -0.0113 81 HIS U NE2 ? ? 1 +22421 C CD2 . HIS P 73 0.7153 1.0293 0.9241 0.0610 -0.0818 -0.0071 81 HIS U CD2 ? ? 1 +22422 C C . HIS P 73 0.6677 0.9886 0.8927 0.0574 -0.0654 0.0070 81 HIS U C ? ? 1 +22423 O O . HIS P 73 0.6455 0.9799 0.8906 0.0528 -0.0628 0.0074 81 HIS U O ? ? 1 +22424 N N . PHE P 74 0.6690 0.9759 0.8766 0.0595 -0.0599 0.0102 82 PHE U N ? ? 1 +22425 C CA . PHE P 74 0.6522 0.9589 0.8637 0.0563 -0.0501 0.0141 82 PHE U CA ? ? 1 +22426 C CB . PHE P 74 0.6666 0.9578 0.8598 0.0563 -0.0402 0.0161 82 PHE U CB ? ? 1 +22427 C CG . PHE P 74 0.6647 0.9552 0.8572 0.0543 -0.0357 0.0140 82 PHE U CG ? ? 1 +22428 C CD1 . PHE P 74 0.6454 0.9503 0.8570 0.0509 -0.0374 0.0114 82 PHE U CD1 ? ? 1 +22429 C CD2 . PHE P 74 0.6827 0.9576 0.8549 0.0560 -0.0296 0.0145 82 PHE U CD2 ? ? 1 +22430 C CE1 . PHE P 74 0.6470 0.9506 0.8575 0.0494 -0.0332 0.0094 82 PHE U CE1 ? ? 1 +22431 C CE2 . PHE P 74 0.6844 0.9584 0.8558 0.0545 -0.0254 0.0125 82 PHE U CE2 ? ? 1 +22432 C CZ . PHE P 74 0.6668 0.9553 0.8574 0.0513 -0.0273 0.0099 82 PHE U CZ ? ? 1 +22433 C C . PHE P 74 0.6456 0.9510 0.8556 0.0585 -0.0528 0.0167 82 PHE U C ? ? 1 +22434 O O . PHE P 74 0.6540 0.9541 0.8538 0.0636 -0.0610 0.0160 82 PHE U O ? ? 1 +22435 N N . THR P 75 0.6271 0.9376 0.8475 0.0547 -0.0459 0.0197 83 THR U N ? ? 1 +22436 C CA . THR P 75 0.6207 0.9278 0.8381 0.0562 -0.0460 0.0228 83 THR U CA ? ? 1 +22437 C CB . THR P 75 0.5993 0.9217 0.8354 0.0560 -0.0538 0.0218 83 THR U CB ? ? 1 +22438 O OG1 . THR P 75 0.6004 0.9184 0.8317 0.0584 -0.0549 0.0244 83 THR U OG1 ? ? 1 +22439 C CG2 . THR P 75 0.5765 0.9150 0.8361 0.0499 -0.0499 0.0216 83 THR U CG2 ? ? 1 +22440 C C . THR P 75 0.6140 0.9184 0.8328 0.0517 -0.0341 0.0262 83 THR U C ? ? 1 +22441 O O . THR P 75 0.6050 0.9129 0.8302 0.0475 -0.0270 0.0259 83 THR U O ? ? 1 +22442 N N . VAL P 76 0.6180 0.9161 0.8309 0.0527 -0.0320 0.0294 84 VAL U N ? ? 1 +22443 C CA . VAL P 76 0.6120 0.9104 0.8302 0.0479 -0.0219 0.0325 84 VAL U CA ? ? 1 +22444 C CB . VAL P 76 0.6354 0.9153 0.8320 0.0485 -0.0132 0.0351 84 VAL U CB ? ? 1 +22445 C CG1 . VAL P 76 0.6444 0.9191 0.8330 0.0480 -0.0090 0.0334 84 VAL U CG1 ? ? 1 +22446 C CG2 . VAL P 76 0.6571 0.9216 0.8326 0.0545 -0.0178 0.0366 84 VAL U CG2 ? ? 1 +22447 C C . VAL P 76 0.6002 0.9049 0.8281 0.0477 -0.0246 0.0342 84 VAL U C ? ? 1 +22448 O O . VAL P 76 0.6118 0.9119 0.8319 0.0526 -0.0319 0.0344 84 VAL U O ? ? 1 +22449 N N . THR P 77 0.5813 0.8969 0.8267 0.0423 -0.0192 0.0352 85 THR U N ? ? 1 +22450 C CA . THR P 77 0.5710 0.8911 0.8247 0.0414 -0.0197 0.0373 85 THR U CA ? ? 1 +22451 C CB . THR P 77 0.5486 0.8869 0.8240 0.0404 -0.0267 0.0352 85 THR U CB ? ? 1 +22452 O OG1 . THR P 77 0.5299 0.8805 0.8227 0.0348 -0.0219 0.0344 85 THR U OG1 ? ? 1 +22453 C CG2 . THR P 77 0.5495 0.8908 0.8236 0.0450 -0.0374 0.0321 85 THR U CG2 ? ? 1 +22454 C C . THR P 77 0.5689 0.8876 0.8259 0.0359 -0.0084 0.0398 85 THR U C ? ? 1 +22455 O O . THR P 77 0.5713 0.8888 0.8278 0.0328 -0.0012 0.0396 85 THR U O ? ? 1 +22456 N N A GLU P 78 0.5653 0.8843 0.8259 0.0348 -0.0069 0.0421 86 GLU U N ? ? 1 +22457 N N B GLU P 78 0.5649 0.8839 0.8254 0.0349 -0.0070 0.0421 86 GLU U N ? ? 1 +22458 C CA A GLU P 78 0.5638 0.8810 0.8272 0.0295 0.0035 0.0445 86 GLU U CA ? ? 1 +22459 C CA B GLU P 78 0.5615 0.8797 0.8261 0.0295 0.0031 0.0444 86 GLU U CA ? ? 1 +22460 C C A GLU P 78 0.5418 0.8742 0.8252 0.0239 0.0076 0.0429 86 GLU U C ? ? 1 +22461 C C B GLU P 78 0.5409 0.8736 0.8246 0.0239 0.0075 0.0429 86 GLU U C ? ? 1 +22462 O O A GLU P 78 0.5240 0.8708 0.8235 0.0236 0.0018 0.0408 86 GLU U O ? ? 1 +22463 O O B GLU P 78 0.5233 0.8703 0.8231 0.0235 0.0018 0.0408 86 GLU U O ? ? 1 +22464 C CB A GLU P 78 0.5640 0.8809 0.8302 0.0292 0.0033 0.0468 86 GLU U CB ? ? 1 +22465 C CB B GLU P 78 0.5575 0.8782 0.8281 0.0291 0.0018 0.0463 86 GLU U CB ? ? 1 +22466 C CG A GLU P 78 0.5852 0.8882 0.8330 0.0354 -0.0020 0.0481 86 GLU U CG ? ? 1 +22467 C CG B GLU P 78 0.5759 0.8843 0.8301 0.0353 -0.0041 0.0476 86 GLU U CG ? ? 1 +22468 C CD A GLU P 78 0.6121 0.8945 0.8360 0.0368 0.0044 0.0506 86 GLU U CD ? ? 1 +22469 C CD B GLU P 78 0.5748 0.8882 0.8301 0.0410 -0.0160 0.0453 86 GLU U CD ? ? 1 +22470 O OE1 A GLU P 78 0.6178 0.8965 0.8409 0.0318 0.0145 0.0520 86 GLU U OE1 ? ? 1 +22471 O OE1 B GLU P 78 0.5602 0.8865 0.8287 0.0404 -0.0206 0.0425 86 GLU U OE1 ? ? 1 +22472 O OE2 A GLU P 78 0.6302 0.9003 0.8362 0.0429 -0.0008 0.0509 86 GLU U OE2 ? ? 1 +22473 O OE2 B GLU P 78 0.5883 0.8921 0.8308 0.0462 -0.0208 0.0464 86 GLU U OE2 ? ? 1 +22474 N N . VAL P 79 0.5426 0.8715 0.8244 0.0197 0.0177 0.0439 87 VAL U N ? ? 1 +22475 C CA . VAL P 79 0.5226 0.8652 0.8227 0.0145 0.0224 0.0426 87 VAL U CA ? ? 1 +22476 C CB . VAL P 79 0.5301 0.8667 0.8257 0.0103 0.0341 0.0438 87 VAL U CB ? ? 1 +22477 C CG1 . VAL P 79 0.5103 0.8622 0.8268 0.0048 0.0388 0.0428 87 VAL U CG1 ? ? 1 +22478 C CG2 . VAL P 79 0.5478 0.8731 0.8269 0.0127 0.0365 0.0430 87 VAL U CG2 ? ? 1 +22479 C C . VAL P 79 0.5007 0.8574 0.8204 0.0116 0.0203 0.0428 87 VAL U C ? ? 1 +22480 O O . VAL P 79 0.5040 0.8572 0.8225 0.0105 0.0225 0.0450 87 VAL U O ? ? 1 +22481 N N . GLU P 80 0.4808 0.8526 0.8179 0.0106 0.0160 0.0406 88 GLU U N ? ? 1 +22482 C CA . GLU P 80 0.4603 0.8464 0.8169 0.0076 0.0145 0.0405 88 GLU U CA ? ? 1 +22483 C CB . GLU P 80 0.4486 0.8451 0.8151 0.0101 0.0046 0.0384 88 GLU U CB ? ? 1 +22484 C CG . GLU P 80 0.4293 0.8411 0.8163 0.0070 0.0029 0.0382 88 GLU U CG ? ? 1 +22485 C CD . GLU P 80 0.4317 0.8420 0.8203 0.0052 0.0059 0.0405 88 GLU U CD ? ? 1 +22486 O OE1 . GLU P 80 0.4395 0.8427 0.8189 0.0087 0.0020 0.0417 88 GLU U OE1 ? ? 1 +22487 O OE2 . GLU P 80 0.4263 0.8423 0.8250 0.0005 0.0121 0.0411 88 GLU U OE2 ? ? 1 +22488 C C . GLU P 80 0.4483 0.8435 0.8183 0.0022 0.0218 0.0400 88 GLU U C ? ? 1 +22489 O O . GLU P 80 0.4407 0.8411 0.8156 0.0018 0.0219 0.0380 88 GLU U O ? ? 1 +22490 N N . THR P 81 0.4460 0.8429 0.8219 -0.0017 0.0276 0.0416 89 THR U N ? ? 1 +22491 C CA . THR P 81 0.4371 0.8418 0.8249 -0.0068 0.0351 0.0413 89 THR U CA ? ? 1 +22492 C CB . THR P 81 0.4357 0.8412 0.8285 -0.0105 0.0397 0.0432 89 THR U CB ? ? 1 +22493 O OG1 . THR P 81 0.4564 0.8459 0.8311 -0.0097 0.0438 0.0453 89 THR U OG1 ? ? 1 +22494 C CG2 . THR P 81 0.4284 0.8427 0.8344 -0.0159 0.0470 0.0427 89 THR U CG2 ? ? 1 +22495 C C . THR P 81 0.4173 0.8379 0.8234 -0.0080 0.0318 0.0390 89 THR U C ? ? 1 +22496 O O . THR P 81 0.4108 0.8360 0.8227 -0.0102 0.0365 0.0378 89 THR U O ? ? 1 +22497 N N . ALA P 82 0.4041 0.8325 0.8187 -0.0064 0.0238 0.0384 90 ALA U N ? ? 1 +22498 C CA . ALA P 82 0.3839 0.8269 0.8158 -0.0076 0.0203 0.0365 90 ALA U CA ? ? 1 +22499 C CB . ALA P 82 0.3754 0.8252 0.8152 -0.0061 0.0125 0.0365 90 ALA U CB ? ? 1 +22500 C C . ALA P 82 0.3825 0.8260 0.8124 -0.0057 0.0183 0.0343 90 ALA U C ? ? 1 +22501 O O . ALA P 82 0.3719 0.8260 0.8149 -0.0073 0.0179 0.0327 90 ALA U O ? ? 1 +22502 N N . LEU P 83 0.3947 0.8265 0.8080 -0.0021 0.0167 0.0341 91 LEU U N ? ? 1 +22503 C CA . LEU P 83 0.3960 0.8272 0.8060 -0.0001 0.0144 0.0319 91 LEU U CA ? ? 1 +22504 C CB . LEU P 83 0.4063 0.8286 0.8023 0.0048 0.0071 0.0314 91 LEU U CB ? ? 1 +22505 C CG . LEU P 83 0.3949 0.8249 0.7991 0.0066 -0.0022 0.0307 91 LEU U CG ? ? 1 +22506 C CD1 . LEU P 83 0.4079 0.8295 0.7984 0.0114 -0.0089 0.0299 91 LEU U CD1 ? ? 1 +22507 C CD2 . LEU P 83 0.3767 0.8205 0.7980 0.0048 -0.0053 0.0286 91 LEU U CD2 ? ? 1 +22508 C C . LEU P 83 0.4056 0.8308 0.8087 -0.0014 0.0225 0.0317 91 LEU U C ? ? 1 +22509 O O . LEU P 83 0.4073 0.8347 0.8118 -0.0008 0.0223 0.0296 91 LEU U O ? ? 1 +22510 N N . VAL P 84 0.4132 0.8307 0.8086 -0.0031 0.0300 0.0336 92 VAL U N ? ? 1 +22511 C CA . VAL P 84 0.4221 0.8318 0.8081 -0.0039 0.0380 0.0336 92 VAL U CA ? ? 1 +22512 C CB . VAL P 84 0.4425 0.8351 0.8072 -0.0019 0.0409 0.0355 92 VAL U CB ? ? 1 +22513 C CG1 . VAL P 84 0.4518 0.8366 0.8036 0.0034 0.0322 0.0350 92 VAL U CG1 ? ? 1 +22514 C CG2 . VAL P 84 0.4436 0.8336 0.8083 -0.0044 0.0448 0.0381 92 VAL U CG2 ? ? 1 +22515 C C . VAL P 84 0.4125 0.8302 0.8110 -0.0087 0.0463 0.0337 92 VAL U C ? ? 1 +22516 O O . VAL P 84 0.4205 0.8357 0.8158 -0.0096 0.0527 0.0330 92 VAL U O ? ? 1 +22517 N N . GLU P 85 0.3969 0.8239 0.8092 -0.0117 0.0462 0.0345 93 GLU U N ? ? 1 +22518 C CA . GLU P 85 0.3851 0.8212 0.8110 -0.0161 0.0531 0.0343 93 GLU U CA ? ? 1 +22519 C CB . GLU P 85 0.3779 0.8199 0.8137 -0.0191 0.0531 0.0358 93 GLU U CB ? ? 1 +22520 C CG . GLU P 85 0.3936 0.8240 0.8172 -0.0203 0.0579 0.0381 93 GLU U CG ? ? 1 +22521 C CD . GLU P 85 0.4066 0.8327 0.8266 -0.0235 0.0683 0.0384 93 GLU U CD ? ? 1 +22522 O OE1 . GLU P 85 0.3996 0.8351 0.8313 -0.0259 0.0724 0.0368 93 GLU U OE1 ? ? 1 +22523 O OE2 . GLU P 85 0.4288 0.8414 0.8335 -0.0235 0.0725 0.0401 93 GLU U OE2 ? ? 1 +22524 C C . GLU P 85 0.3680 0.8162 0.8077 -0.0163 0.0512 0.0320 93 GLU U C ? ? 1 +22525 O O . GLU P 85 0.3653 0.8150 0.8048 -0.0134 0.0444 0.0306 93 GLU U O ? ? 1 +22526 N N . GLY P 86 0.3565 0.8129 0.8078 -0.0196 0.0574 0.0313 94 GLY U N ? ? 1 +22527 C CA . GLY P 86 0.3425 0.8097 0.8065 -0.0197 0.0565 0.0292 94 GLY U CA ? ? 1 +22528 C C . GLY P 86 0.3490 0.8108 0.8044 -0.0170 0.0574 0.0275 94 GLY U C ? ? 1 +22529 O O . GLY P 86 0.3415 0.8109 0.8057 -0.0164 0.0557 0.0256 94 GLY U O ? ? 1 +22530 N N . GLY P 87 0.3637 0.8119 0.8012 -0.0153 0.0601 0.0281 95 GLY U N ? ? 1 +22531 C CA . GLY P 87 0.3726 0.8142 0.7998 -0.0122 0.0598 0.0265 95 GLY U CA ? ? 1 +22532 C C . GLY P 87 0.3674 0.8106 0.7948 -0.0090 0.0499 0.0252 95 GLY U C ? ? 1 +22533 O O . GLY P 87 0.3690 0.8115 0.7942 -0.0070 0.0485 0.0232 95 GLY U O ? ? 1 +22534 N N . ASP P 88 0.3613 0.8064 0.7911 -0.0086 0.0432 0.0262 96 ASP U N ? ? 1 +22535 C CA . ASP P 88 0.3528 0.8023 0.7868 -0.0064 0.0340 0.0248 96 ASP U CA ? ? 1 +22536 C CB . ASP P 88 0.3430 0.7984 0.7851 -0.0072 0.0286 0.0262 96 ASP U CB ? ? 1 +22537 C CG . ASP P 88 0.3255 0.7947 0.7868 -0.0105 0.0299 0.0263 96 ASP U CG ? ? 1 +22538 O OD1 . ASP P 88 0.3225 0.7971 0.7913 -0.0120 0.0343 0.0252 96 ASP U OD1 ? ? 1 +22539 O OD2 . ASP P 88 0.3167 0.7910 0.7851 -0.0114 0.0263 0.0273 96 ASP U OD2 ? ? 1 +22540 C C . ASP P 88 0.3650 0.8038 0.7832 -0.0024 0.0294 0.0237 96 ASP U C ? ? 1 +22541 O O . ASP P 88 0.3613 0.8036 0.7827 -0.0007 0.0226 0.0219 96 ASP U O ? ? 1 +22542 N N . ARG P 89 0.3815 0.8072 0.7825 -0.0009 0.0331 0.0247 97 ARG U N ? ? 1 +22543 C CA . ARG P 89 0.3956 0.8107 0.7806 0.0030 0.0292 0.0235 97 ARG U CA ? ? 1 +22544 C CB . ARG P 89 0.4154 0.8151 0.7805 0.0047 0.0328 0.0252 97 ARG U CB ? ? 1 +22545 C CG . ARG P 89 0.4165 0.8132 0.7782 0.0052 0.0295 0.0275 97 ARG U CG ? ? 1 +22546 C CD . ARG P 89 0.4379 0.8179 0.7775 0.0082 0.0307 0.0288 97 ARG U CD ? ? 1 +22547 N NE . ARG P 89 0.4480 0.8216 0.7763 0.0126 0.0236 0.0269 97 ARG U NE ? ? 1 +22548 C CZ . ARG P 89 0.4685 0.8270 0.7760 0.0161 0.0234 0.0274 97 ARG U CZ ? ? 1 +22549 N NH1 . ARG P 89 0.4828 0.8301 0.7776 0.0156 0.0309 0.0297 97 ARG U NH1 ? ? 1 +22550 N NH2 . ARG P 89 0.4757 0.8300 0.7747 0.0201 0.0156 0.0254 97 ARG U NH2 ? ? 1 +22551 C C . ARG P 89 0.3977 0.8129 0.7823 0.0036 0.0313 0.0210 97 ARG U C ? ? 1 +22552 O O . ARG P 89 0.4081 0.8167 0.7824 0.0067 0.0269 0.0194 97 ARG U O ? ? 1 +22553 N N . TYR P 90 0.3887 0.8112 0.7843 0.0008 0.0381 0.0207 98 TYR U N ? ? 1 +22554 C CA . TYR P 90 0.3880 0.8117 0.7848 0.0015 0.0404 0.0184 98 TYR U CA ? ? 1 +22555 C CB . TYR P 90 0.3906 0.8140 0.7882 -0.0007 0.0512 0.0189 98 TYR U CB ? ? 1 +22556 C CG . TYR P 90 0.4082 0.8177 0.7876 0.0000 0.0569 0.0204 98 TYR U CG ? ? 1 +22557 C CD1 . TYR P 90 0.4244 0.8219 0.7868 0.0031 0.0577 0.0193 98 TYR U CD1 ? ? 1 +22558 C CD2 . TYR P 90 0.4092 0.8170 0.7879 -0.0024 0.0614 0.0229 98 TYR U CD2 ? ? 1 +22559 C CE1 . TYR P 90 0.4423 0.8262 0.7870 0.0039 0.0632 0.0208 98 TYR U CE1 ? ? 1 +22560 C CE2 . TYR P 90 0.4267 0.8209 0.7881 -0.0019 0.0670 0.0245 98 TYR U CE2 ? ? 1 +22561 C CZ . TYR P 90 0.4436 0.8257 0.7878 0.0013 0.0679 0.0235 98 TYR U CZ ? ? 1 +22562 O OH . TYR P 90 0.4625 0.8304 0.7886 0.0019 0.0736 0.0251 98 TYR U OH ? ? 1 +22563 C C . TYR P 90 0.3706 0.8071 0.7843 0.0007 0.0355 0.0166 98 TYR U C ? ? 1 +22564 O O . TYR P 90 0.3727 0.8090 0.7858 0.0023 0.0336 0.0144 98 TYR U O ? ? 1 +22565 N N . ASN P 91 0.3549 0.8019 0.7832 -0.0017 0.0337 0.0178 99 ASN U N ? ? 1 +22566 C CA . ASN P 91 0.3388 0.7978 0.7834 -0.0026 0.0296 0.0165 99 ASN U CA ? ? 1 +22567 C CB . ASN P 91 0.3320 0.7982 0.7871 -0.0043 0.0361 0.0157 99 ASN U CB ? ? 1 +22568 C CG . ASN P 91 0.3172 0.7944 0.7875 -0.0049 0.0321 0.0143 99 ASN U CG ? ? 1 +22569 O OD1 . ASN P 91 0.3067 0.7904 0.7858 -0.0058 0.0265 0.0149 99 ASN U OD1 ? ? 1 +22570 N ND2 . ASN P 91 0.3171 0.7962 0.7906 -0.0043 0.0347 0.0125 99 ASN U ND2 ? ? 1 +22571 C C . ASN P 91 0.3273 0.7938 0.7820 -0.0044 0.0258 0.0182 99 ASN U C ? ? 1 +22572 O O . ASN P 91 0.3217 0.7922 0.7828 -0.0069 0.0306 0.0198 99 ASN U O ? ? 1 +22573 N N . ASN P 92 0.3237 0.7920 0.7799 -0.0032 0.0174 0.0176 100 ASN U N ? ? 1 +22574 C CA . ASN P 92 0.3151 0.7892 0.7791 -0.0043 0.0134 0.0191 100 ASN U CA ? ? 1 +22575 C CB . ASN P 92 0.3229 0.7900 0.7760 -0.0017 0.0070 0.0193 100 ASN U CB ? ? 1 +22576 C CG . ASN P 92 0.3238 0.7903 0.7748 0.0004 -0.0003 0.0169 100 ASN U CG ? ? 1 +22577 O OD1 . ASN P 92 0.3180 0.7893 0.7760 -0.0001 -0.0009 0.0151 100 ASN U OD1 ? ? 1 +22578 N ND2 . ASN P 92 0.3318 0.7923 0.7732 0.0029 -0.0059 0.0168 100 ASN U ND2 ? ? 1 +22579 C C . ASN P 92 0.3000 0.7867 0.7811 -0.0059 0.0097 0.0184 100 ASN U C ? ? 1 +22580 O O . ASN P 92 0.2931 0.7848 0.7805 -0.0064 0.0048 0.0191 100 ASN U O ? ? 1 +22581 N N A GLY P 93 0.2963 0.7878 0.7846 -0.0066 0.0122 0.0169 101 GLY U N ? ? 1 +22582 N N B GLY P 93 0.2962 0.7876 0.7845 -0.0066 0.0122 0.0169 101 GLY U N ? ? 1 +22583 C CA A GLY P 93 0.2825 0.7852 0.7866 -0.0082 0.0096 0.0164 101 GLY U CA ? ? 1 +22584 C CA B GLY P 93 0.2822 0.7849 0.7863 -0.0082 0.0096 0.0164 101 GLY U CA ? ? 1 +22585 C C A GLY P 93 0.2817 0.7857 0.7873 -0.0070 0.0021 0.0145 101 GLY U C ? ? 1 +22586 C C B GLY P 93 0.2817 0.7857 0.7873 -0.0070 0.0021 0.0145 101 GLY U C ? ? 1 +22587 O O A GLY P 93 0.2707 0.7830 0.7884 -0.0082 -0.0001 0.0140 101 GLY U O ? ? 1 +22588 O O B GLY P 93 0.2704 0.7827 0.7881 -0.0082 -0.0002 0.0140 101 GLY U O ? ? 1 +22589 N N . LEU P 94 0.2946 0.7900 0.7876 -0.0047 -0.0016 0.0135 102 LEU U N ? ? 1 +22590 C CA . LEU P 94 0.2963 0.7921 0.7897 -0.0036 -0.0088 0.0114 102 LEU U CA ? ? 1 +22591 C CB . LEU P 94 0.3053 0.7958 0.7894 -0.0018 -0.0147 0.0114 102 LEU U CB ? ? 1 +22592 C CG . LEU P 94 0.2969 0.7939 0.7890 -0.0026 -0.0188 0.0127 102 LEU U CG ? ? 1 +22593 C CD1 . LEU P 94 0.2939 0.7926 0.7885 -0.0040 -0.0136 0.0154 102 LEU U CD1 ? ? 1 +22594 C CD2 . LEU P 94 0.3060 0.7978 0.7888 -0.0001 -0.0256 0.0119 102 LEU U CD2 ? ? 1 +22595 C C . LEU P 94 0.3068 0.7970 0.7935 -0.0023 -0.0077 0.0091 102 LEU U C ? ? 1 +22596 O O . LEU P 94 0.3213 0.8021 0.7947 -0.0005 -0.0050 0.0088 102 LEU U O ? ? 1 +22597 N N A TYR P 95 0.3007 0.7962 0.7962 -0.0030 -0.0097 0.0075 103 TYR U N ? ? 1 +22598 N N B TYR P 95 0.3006 0.7961 0.7961 -0.0030 -0.0097 0.0075 103 TYR U N ? ? 1 +22599 C CA A TYR P 95 0.3092 0.7994 0.7989 -0.0017 -0.0099 0.0049 103 TYR U CA ? ? 1 +22600 C CA B TYR P 95 0.3092 0.7994 0.7989 -0.0017 -0.0097 0.0050 103 TYR U CA ? ? 1 +22601 C C A TYR P 95 0.3103 0.8011 0.8007 -0.0015 -0.0182 0.0030 103 TYR U C ? ? 1 +22602 C C B TYR P 95 0.3118 0.8020 0.8015 -0.0014 -0.0179 0.0029 103 TYR U C ? ? 1 +22603 O O A TYR P 95 0.3144 0.8034 0.8005 -0.0008 -0.0230 0.0032 103 TYR U O ? ? 1 +22604 O O B TYR P 95 0.3190 0.8058 0.8021 -0.0004 -0.0225 0.0028 103 TYR U O ? ? 1 +22605 C CB A TYR P 95 0.3022 0.7975 0.8010 -0.0027 -0.0050 0.0047 103 TYR U CB ? ? 1 +22606 C CB B TYR P 95 0.3009 0.7966 0.8003 -0.0027 -0.0047 0.0048 103 TYR U CB ? ? 1 +22607 C CG A TYR P 95 0.3020 0.7980 0.8013 -0.0030 0.0031 0.0064 103 TYR U CG ? ? 1 +22608 C CG B TYR P 95 0.3003 0.7966 0.8001 -0.0031 0.0033 0.0065 103 TYR U CG ? ? 1 +22609 C CD1 A TYR P 95 0.3146 0.8024 0.8024 -0.0015 0.0084 0.0060 103 TYR U CD1 ? ? 1 +22610 C CD1 B TYR P 95 0.3125 0.8007 0.8009 -0.0015 0.0085 0.0061 103 TYR U CD1 ? ? 1 +22611 C CD2 A TYR P 95 0.2899 0.7948 0.8011 -0.0051 0.0055 0.0084 103 TYR U CD2 ? ? 1 +22612 C CD2 B TYR P 95 0.2879 0.7930 0.7994 -0.0052 0.0056 0.0085 103 TYR U CD2 ? ? 1 +22613 C CE1 A TYR P 95 0.3151 0.8038 0.8038 -0.0022 0.0161 0.0074 103 TYR U CE1 ? ? 1 +22614 C CE1 B TYR P 95 0.3128 0.8020 0.8021 -0.0022 0.0163 0.0075 103 TYR U CE1 ? ? 1 +22615 C CE2 A TYR P 95 0.2899 0.7960 0.8023 -0.0058 0.0128 0.0097 103 TYR U CE2 ? ? 1 +22616 C CE2 B TYR P 95 0.2877 0.7940 0.8003 -0.0059 0.0129 0.0099 103 TYR U CE2 ? ? 1 +22617 C CZ A TYR P 95 0.3023 0.8005 0.8037 -0.0045 0.0182 0.0092 103 TYR U CZ ? ? 1 +22618 C CZ B TYR P 95 0.2999 0.7984 0.8017 -0.0046 0.0183 0.0093 103 TYR U CZ ? ? 1 +22619 O OH A TYR P 95 0.3028 0.8023 0.8057 -0.0054 0.0257 0.0104 103 TYR U OH ? ? 1 +22620 O OH B TYR P 95 0.3001 0.7999 0.8033 -0.0055 0.0259 0.0104 103 TYR U OH ? ? 1 +22621 N N A LYS P 96 0.3079 0.8011 0.8042 -0.0022 -0.0200 0.0011 104 LYS U N ? ? 1 +22622 N N B LYS P 96 0.3083 0.8021 0.8053 -0.0023 -0.0198 0.0012 104 LYS U N ? ? 1 +22623 C CA A LYS P 96 0.3062 0.8016 0.8058 -0.0029 -0.0276 -0.0007 104 LYS U CA ? ? 1 +22624 C CA B LYS P 96 0.3072 0.8028 0.8072 -0.0029 -0.0273 -0.0007 104 LYS U CA ? ? 1 +22625 C C A LYS P 96 0.2922 0.7982 0.8065 -0.0053 -0.0294 0.0008 104 LYS U C ? ? 1 +22626 C C B LYS P 96 0.2937 0.8001 0.8087 -0.0054 -0.0291 0.0007 104 LYS U C ? ? 1 +22627 O O A LYS P 96 0.2839 0.7955 0.8066 -0.0064 -0.0247 0.0025 104 LYS U O ? ? 1 +22628 O O B LYS P 96 0.2853 0.7973 0.8092 -0.0066 -0.0247 0.0022 104 LYS U O ? ? 1 +22629 C CB A LYS P 96 0.3106 0.8029 0.8091 -0.0027 -0.0287 -0.0035 104 LYS U CB ? ? 1 +22630 C CB B LYS P 96 0.3122 0.8044 0.8106 -0.0027 -0.0285 -0.0035 104 LYS U CB ? ? 1 +22631 C CG A LYS P 96 0.3272 0.8084 0.8101 -0.0002 -0.0291 -0.0056 104 LYS U CG ? ? 1 +22632 C CG B LYS P 96 0.3289 0.8100 0.8117 -0.0002 -0.0287 -0.0055 104 LYS U CG ? ? 1 +22633 C CD A LYS P 96 0.3341 0.8117 0.8101 0.0006 -0.0367 -0.0074 104 LYS U CD ? ? 1 +22634 C CD B LYS P 96 0.3360 0.8135 0.8117 0.0006 -0.0362 -0.0072 104 LYS U CD ? ? 1 +22635 C CE A LYS P 96 0.3511 0.8173 0.8112 0.0031 -0.0372 -0.0096 104 LYS U CE ? ? 1 +22636 C CE B LYS P 96 0.3529 0.8189 0.8126 0.0032 -0.0366 -0.0094 104 LYS U CE ? ? 1 +22637 N NZ A LYS P 96 0.3586 0.8218 0.8124 0.0040 -0.0451 -0.0117 104 LYS U NZ ? ? 1 +22638 N NZ B LYS P 96 0.3604 0.8235 0.8144 0.0040 -0.0447 -0.0117 104 LYS U NZ ? ? 1 +22639 O OXT A LYS P 96 0.2897 0.7991 0.8077 -0.0060 -0.0354 0.0001 104 LYS U OXT ? ? 1 +22640 O OXT B LYS P 96 0.2920 0.8015 0.8102 -0.0061 -0.0350 0.0003 104 LYS U OXT ? ? 1 +22641 N N . ALA Q 1 0.4223 0.9092 0.9888 -0.0705 -0.1288 -0.0770 1 ALA V N ? ? 1 +22642 C CA . ALA Q 1 0.4293 0.9088 0.9811 -0.0643 -0.1293 -0.0768 1 ALA V CA ? ? 1 +22643 C CB . ALA Q 1 0.4194 0.9045 0.9713 -0.0593 -0.1260 -0.0717 1 ALA V CB ? ? 1 +22644 C C . ALA Q 1 0.4394 0.9046 0.9799 -0.0632 -0.1251 -0.0770 1 ALA V C ? ? 1 +22645 O O . ALA Q 1 0.4316 0.8941 0.9752 -0.0645 -0.1193 -0.0744 1 ALA V O ? ? 1 +22646 N N A GLU Q 2 0.4538 0.9098 0.9807 -0.0604 -0.1282 -0.0802 2 GLU V N ? ? 1 +22647 N N B GLU Q 2 0.4547 0.9109 0.9817 -0.0604 -0.1282 -0.0802 2 GLU V N ? ? 1 +22648 C CA A GLU Q 2 0.4666 0.9086 0.9818 -0.0593 -0.1253 -0.0815 2 GLU V CA ? ? 1 +22649 C CA B GLU Q 2 0.4682 0.9102 0.9834 -0.0593 -0.1253 -0.0814 2 GLU V CA ? ? 1 +22650 C C A GLU Q 2 0.4761 0.9106 0.9759 -0.0528 -0.1250 -0.0812 2 GLU V C ? ? 1 +22651 C C B GLU Q 2 0.4769 0.9115 0.9767 -0.0527 -0.1250 -0.0811 2 GLU V C ? ? 1 +22652 O O A GLU Q 2 0.4746 0.9138 0.9718 -0.0499 -0.1288 -0.0813 2 GLU V O ? ? 1 +22653 O O B GLU Q 2 0.4748 0.9140 0.9720 -0.0499 -0.1287 -0.0813 2 GLU V O ? ? 1 +22654 C CB A GLU Q 2 0.4787 0.9147 0.9929 -0.0644 -0.1301 -0.0874 2 GLU V CB ? ? 1 +22655 C CB B GLU Q 2 0.4817 0.9178 0.9957 -0.0643 -0.1301 -0.0873 2 GLU V CB ? ? 1 +22656 C CG A GLU Q 2 0.4915 0.9123 0.9939 -0.0639 -0.1273 -0.0891 2 GLU V CG ? ? 1 +22657 C CG B GLU Q 2 0.4779 0.9160 1.0036 -0.0707 -0.1280 -0.0874 2 GLU V CG ? ? 1 +22658 C CD A GLU Q 2 0.4857 0.9016 0.9885 -0.0628 -0.1190 -0.0849 2 GLU V CD ? ? 1 +22659 C CD B GLU Q 2 0.4899 0.9234 1.0157 -0.0763 -0.1332 -0.0934 2 GLU V CD ? ? 1 +22660 O OE1 A GLU Q 2 0.4793 0.8941 0.9769 -0.0574 -0.1143 -0.0810 2 GLU V OE1 ? ? 1 +22661 O OE1 B GLU Q 2 0.5044 0.9315 1.0195 -0.0747 -0.1381 -0.0976 2 GLU V OE1 ? ? 1 +22662 O OE2 A GLU Q 2 0.4865 0.8995 0.9947 -0.0674 -0.1172 -0.0856 2 GLU V OE2 ? ? 1 +22663 O OE2 B GLU Q 2 0.4867 0.9225 1.0227 -0.0824 -0.1323 -0.0941 2 GLU V OE2 ? ? 1 +22664 N N . LEU Q 3 0.4859 0.9088 0.9754 -0.0503 -0.1202 -0.0807 3 LEU V N ? ? 1 +22665 C CA . LEU Q 3 0.4970 0.9114 0.9711 -0.0444 -0.1190 -0.0806 3 LEU V CA ? ? 1 +22666 C CB . LEU Q 3 0.4969 0.9038 0.9658 -0.0413 -0.1108 -0.0774 3 LEU V CB ? ? 1 +22667 C CG . LEU Q 3 0.5050 0.9051 0.9599 -0.0350 -0.1078 -0.0761 3 LEU V CG ? ? 1 +22668 C CD1 . LEU Q 3 0.4976 0.9063 0.9538 -0.0319 -0.1083 -0.0731 3 LEU V CD1 ? ? 1 +22669 C CD2 . LEU Q 3 0.5043 0.8992 0.9569 -0.0324 -0.0997 -0.0730 3 LEU V CD2 ? ? 1 +22670 C C . LEU Q 3 0.5143 0.9200 0.9777 -0.0451 -0.1253 -0.0866 3 LEU V C ? ? 1 +22671 O O . LEU Q 3 0.5256 0.9205 0.9823 -0.0460 -0.1242 -0.0891 3 LEU V O ? ? 1 +22672 N N . THR Q 4 0.5190 0.9294 0.9811 -0.0445 -0.1322 -0.0889 4 THR V N ? ? 1 +22673 C CA . THR Q 4 0.5370 0.9411 0.9907 -0.0455 -0.1395 -0.0949 4 THR V CA ? ? 1 +22674 C CB . THR Q 4 0.5311 0.9467 0.9939 -0.0481 -0.1474 -0.0973 4 THR V CB ? ? 1 +22675 O OG1 . THR Q 4 0.5269 0.9478 0.9869 -0.0431 -0.1480 -0.0944 4 THR V OG1 ? ? 1 +22676 C CG2 . THR Q 4 0.5167 0.9438 0.9984 -0.0540 -0.1470 -0.0964 4 THR V CG2 ? ? 1 +22677 C C . THR Q 4 0.5548 0.9478 0.9896 -0.0395 -0.1394 -0.0957 4 THR V C ? ? 1 +22678 O O . THR Q 4 0.5509 0.9430 0.9806 -0.0347 -0.1341 -0.0915 4 THR V O ? ? 1 +22679 N N . PRO Q 5 0.5751 0.9591 0.9989 -0.0397 -0.1450 -0.1012 5 PRO V N ? ? 1 +22680 C CA . PRO Q 5 0.5909 0.9648 0.9962 -0.0339 -0.1460 -0.1024 5 PRO V CA ? ? 1 +22681 C CB . PRO Q 5 0.6059 0.9723 1.0040 -0.0363 -0.1535 -0.1093 5 PRO V CB ? ? 1 +22682 C CG . PRO Q 5 0.6014 0.9689 1.0111 -0.0430 -0.1528 -0.1110 5 PRO V CG ? ? 1 +22683 C CD . PRO Q 5 0.5820 0.9642 1.0099 -0.0456 -0.1504 -0.1067 5 PRO V CD ? ? 1 +22684 C C . PRO Q 5 0.5903 0.9706 0.9931 -0.0295 -0.1483 -0.1001 5 PRO V C ? ? 1 +22685 O O . PRO Q 5 0.5952 0.9685 0.9845 -0.0240 -0.1453 -0.0983 5 PRO V O ? ? 1 +22686 N N . GLU Q 6 0.5851 0.9783 1.0006 -0.0320 -0.1535 -0.1003 6 GLU V N ? ? 1 +22687 C CA . GLU Q 6 0.5865 0.9863 1.0007 -0.0280 -0.1560 -0.0982 6 GLU V CA ? ? 1 +22688 C CB . GLU Q 6 0.5881 1.0026 1.0183 -0.0316 -0.1622 -0.0992 6 GLU V CB ? ? 1 +22689 C CG . GLU Q 6 0.6144 1.0292 1.0453 -0.0350 -0.1717 -0.1060 6 GLU V CG ? ? 1 +22690 C CD . GLU Q 6 0.6313 1.0437 1.0691 -0.0415 -0.1715 -0.1094 6 GLU V CD ? ? 1 +22691 O OE1 . GLU Q 6 0.6288 1.0498 1.0825 -0.0461 -0.1685 -0.1075 6 GLU V OE1 ? ? 1 +22692 O OE2 . GLU Q 6 0.6597 1.0609 1.0864 -0.0419 -0.1742 -0.1138 6 GLU V OE2 ? ? 1 +22693 C C . GLU Q 6 0.5676 0.9687 0.9816 -0.0243 -0.1474 -0.0916 6 GLU V C ? ? 1 +22694 O O . GLU Q 6 0.5738 0.9704 0.9759 -0.0190 -0.1461 -0.0898 6 GLU V O ? ? 1 +22695 N N . VAL Q 7 0.5446 0.9517 0.9717 -0.0273 -0.1415 -0.0883 7 VAL V N ? ? 1 +22696 C CA . VAL Q 7 0.5284 0.9377 0.9572 -0.0245 -0.1333 -0.0823 7 VAL V CA ? ? 1 +22697 C CB . VAL Q 7 0.5123 0.9294 0.9576 -0.0288 -0.1286 -0.0796 7 VAL V CB ? ? 1 +22698 C CG1 . VAL Q 7 0.5054 0.9234 0.9515 -0.0258 -0.1199 -0.0739 7 VAL V CG1 ? ? 1 +22699 C CG2 . VAL Q 7 0.5010 0.9317 0.9621 -0.0327 -0.1333 -0.0798 7 VAL V CG2 ? ? 1 +22700 C C . VAL Q 7 0.5335 0.9298 0.9466 -0.0201 -0.1274 -0.0814 7 VAL V C ? ? 1 +22701 O O . VAL Q 7 0.5325 0.9281 0.9402 -0.0158 -0.1227 -0.0776 7 VAL V O ? ? 1 +22702 N N . LEU Q 8 0.5381 0.9242 0.9442 -0.0212 -0.1275 -0.0850 8 LEU V N ? ? 1 +22703 C CA . LEU Q 8 0.5427 0.9162 0.9345 -0.0174 -0.1217 -0.0845 8 LEU V CA ? ? 1 +22704 C CB . LEU Q 8 0.5486 0.9145 0.9403 -0.0205 -0.1204 -0.0875 8 LEU V CB ? ? 1 +22705 C CG . LEU Q 8 0.5341 0.9061 0.9409 -0.0242 -0.1156 -0.0848 8 LEU V CG ? ? 1 +22706 C CD1 . LEU Q 8 0.5426 0.9051 0.9468 -0.0267 -0.1149 -0.0880 8 LEU V CD1 ? ? 1 +22707 C CD2 . LEU Q 8 0.5256 0.8999 0.9342 -0.0209 -0.1071 -0.0793 8 LEU V CD2 ? ? 1 +22708 C C . LEU Q 8 0.5547 0.9185 0.9279 -0.0128 -0.1247 -0.0869 8 LEU V C ? ? 1 +22709 O O . LEU Q 8 0.5663 0.9187 0.9264 -0.0096 -0.1204 -0.0872 8 LEU V O ? ? 1 +22710 N N . THR Q 9 0.5528 0.9206 0.9246 -0.0123 -0.1322 -0.0886 9 THR V N ? ? 1 +22711 C CA . THR Q 9 0.5645 0.9233 0.9183 -0.0077 -0.1357 -0.0907 9 THR V CA ? ? 1 +22712 C CB . THR Q 9 0.5706 0.9312 0.9239 -0.0095 -0.1466 -0.0960 9 THR V CB ? ? 1 +22713 O OG1 . THR Q 9 0.5731 0.9312 0.9308 -0.0143 -0.1491 -0.1003 9 THR V OG1 ? ? 1 +22714 C CG2 . THR Q 9 0.5885 0.9389 0.9221 -0.0046 -0.1509 -0.0986 9 THR V CG2 ? ? 1 +22715 C C . THR Q 9 0.5565 0.9179 0.9064 -0.0031 -0.1319 -0.0859 9 THR V C ? ? 1 +22716 O O . THR Q 9 0.5421 0.9147 0.9027 -0.0039 -0.1336 -0.0835 9 THR V O ? ? 1 +22717 N N . VAL Q 10 0.5649 0.9154 0.8991 0.0015 -0.1265 -0.0846 10 VAL V N ? ? 1 +22718 C CA . VAL Q 10 0.5597 0.9111 0.8892 0.0057 -0.1213 -0.0798 10 VAL V CA ? ? 1 +22719 C CB . VAL Q 10 0.5486 0.9013 0.8838 0.0058 -0.1107 -0.0754 10 VAL V CB ? ? 1 +22720 C CG1 . VAL Q 10 0.5292 0.8947 0.8853 0.0012 -0.1097 -0.0733 10 VAL V CG1 ? ? 1 +22721 C CG2 . VAL Q 10 0.5594 0.9002 0.8847 0.0069 -0.1061 -0.0773 10 VAL V CG2 ? ? 1 +22722 C C . VAL Q 10 0.5775 0.9163 0.8853 0.0108 -0.1225 -0.0813 10 VAL V C ? ? 1 +22723 O O . VAL Q 10 0.5913 0.9196 0.8875 0.0114 -0.1250 -0.0855 10 VAL V O ? ? 1 +22724 N N . PRO Q 11 0.5794 0.9182 0.8806 0.0147 -0.1205 -0.0779 11 PRO V N ? ? 1 +22725 C CA . PRO Q 11 0.6013 0.9270 0.8808 0.0198 -0.1201 -0.0786 11 PRO V CA ? ? 1 +22726 C CB . PRO Q 11 0.5947 0.9244 0.8731 0.0226 -0.1182 -0.0740 11 PRO V CB ? ? 1 +22727 C CG . PRO Q 11 0.5741 0.9195 0.8733 0.0189 -0.1207 -0.0722 11 PRO V CG ? ? 1 +22728 C CD . PRO Q 11 0.5634 0.9140 0.8770 0.0142 -0.1186 -0.0732 11 PRO V CD ? ? 1 +22729 C C . PRO Q 11 0.6160 0.9303 0.8844 0.0219 -0.1115 -0.0782 11 PRO V C ? ? 1 +22730 O O . PRO Q 11 0.6028 0.9203 0.8780 0.0215 -0.1028 -0.0745 11 PRO V O ? ? 1 +22731 N N . LEU Q 12 0.6443 0.9457 0.8956 0.0241 -0.1144 -0.0823 12 LEU V N ? ? 1 +22732 C CA . LEU Q 12 0.6647 0.9539 0.9027 0.0268 -0.1070 -0.0826 12 LEU V CA ? ? 1 +22733 C CB . LEU Q 12 0.6810 0.9590 0.9067 0.0269 -0.1128 -0.0887 12 LEU V CB ? ? 1 +22734 C CG . LEU Q 12 0.6961 0.9597 0.9059 0.0299 -0.1061 -0.0899 12 LEU V CG ? ? 1 +22735 C CD1 . LEU Q 12 0.6841 0.9508 0.9049 0.0282 -0.0971 -0.0878 12 LEU V CD1 ? ? 1 +22736 C CD2 . LEU Q 12 0.7140 0.9670 0.9118 0.0299 -0.1131 -0.0961 12 LEU V CD2 ? ? 1 +22737 C C . LEU Q 12 0.6855 0.9676 0.9085 0.0318 -0.1010 -0.0793 12 LEU V C ? ? 1 +22738 O O . LEU Q 12 0.6830 0.9621 0.9039 0.0332 -0.0913 -0.0765 12 LEU V O ? ? 1 +22739 N N . ASN Q 13 0.7103 0.9897 0.9232 0.0344 -0.1070 -0.0797 13 ASN V N ? ? 1 +22740 C CA . ASN Q 13 0.7356 1.0073 0.9328 0.0391 -0.1024 -0.0767 13 ASN V CA ? ? 1 +22741 C CB . ASN Q 13 0.7603 1.0153 0.9340 0.0430 -0.1036 -0.0802 13 ASN V CB ? ? 1 +22742 C CG . ASN Q 13 0.7690 1.0210 0.9369 0.0428 -0.1158 -0.0857 13 ASN V CG ? ? 1 +22743 O OD1 . ASN Q 13 0.7641 1.0231 0.9371 0.0424 -0.1237 -0.0859 13 ASN V OD1 ? ? 1 +22744 N ND2 . ASN Q 13 0.7819 1.0237 0.9394 0.0432 -0.1176 -0.0902 13 ASN V ND2 ? ? 1 +22745 C C . ASN Q 13 0.7467 1.0248 0.9460 0.0401 -0.1078 -0.0746 13 ASN V C ? ? 1 +22746 O O . ASN Q 13 0.7377 1.0267 0.9512 0.0371 -0.1149 -0.0756 13 ASN V O ? ? 1 +22747 N N . SER Q 14 0.7764 1.0474 0.9615 0.0442 -0.1041 -0.0717 14 SER V N ? ? 1 +22748 C CA . SER Q 14 0.7936 1.0685 0.9779 0.0459 -0.1088 -0.0696 14 SER V CA ? ? 1 +22749 C CB . SER Q 14 0.7987 1.0678 0.9723 0.0493 -0.1002 -0.0647 14 SER V CB ? ? 1 +22750 O OG . SER Q 14 0.8187 1.0740 0.9752 0.0520 -0.0932 -0.0651 14 SER V OG ? ? 1 +22751 C C . SER Q 14 0.8233 1.0928 0.9958 0.0483 -0.1204 -0.0738 14 SER V C ? ? 1 +22752 O O . SER Q 14 0.8283 1.1032 1.0033 0.0493 -0.1265 -0.0730 14 SER V O ? ? 1 +22753 N N . GLU Q 15 0.8557 1.1148 1.0156 0.0493 -0.1238 -0.0786 15 GLU V N ? ? 1 +22754 C CA . GLU Q 15 0.8872 1.1410 1.0359 0.0515 -0.1352 -0.0832 15 GLU V CA ? ? 1 +22755 C CB . GLU Q 15 0.9322 1.1694 1.0596 0.0543 -0.1349 -0.0870 15 GLU V CB ? ? 1 +22756 C CG . GLU Q 15 0.9753 1.1989 1.0812 0.0596 -0.1280 -0.0839 15 GLU V CG ? ? 1 +22757 C CD . GLU Q 15 1.0379 1.2441 1.1198 0.0633 -0.1293 -0.0878 15 GLU V CD ? ? 1 +22758 O OE1 . GLU Q 15 1.0665 1.2706 1.1493 0.0612 -0.1330 -0.0926 15 GLU V OE1 ? ? 1 +22759 O OE2 . GLU Q 15 1.0840 1.2781 1.1456 0.0682 -0.1266 -0.0861 15 GLU V OE2 ? ? 1 +22760 C C . GLU Q 15 0.8680 1.1338 1.0338 0.0472 -0.1452 -0.0871 15 GLU V C ? ? 1 +22761 O O . GLU Q 15 0.8853 1.1488 1.0444 0.0486 -0.1555 -0.0914 15 GLU V O ? ? 1 +22762 N N . GLY Q 16 0.8366 1.1150 1.0243 0.0421 -0.1421 -0.0858 16 GLY V N ? ? 1 +22763 C CA . GLY Q 16 0.8099 1.1015 1.0161 0.0377 -0.1504 -0.0886 16 GLY V CA ? ? 1 +22764 C C . GLY Q 16 0.7950 1.0869 1.0084 0.0333 -0.1523 -0.0931 16 GLY V C ? ? 1 +22765 O O . GLY Q 16 0.7914 1.0947 1.0219 0.0288 -0.1575 -0.0950 16 GLY V O ? ? 1 +22766 N N . LYS Q 17 0.7863 1.0655 0.9863 0.0345 -0.1478 -0.0948 17 LYS V N ? ? 1 +22767 C CA . LYS Q 17 0.7698 1.0477 0.9754 0.0305 -0.1487 -0.0988 17 LYS V CA ? ? 1 +22768 C CB . LYS Q 17 0.7886 1.0501 0.9750 0.0334 -0.1438 -0.1006 17 LYS V CB ? ? 1 +22769 C CG . LYS Q 17 0.7924 1.0511 0.9834 0.0297 -0.1432 -0.1043 17 LYS V CG ? ? 1 +22770 C CD . LYS Q 17 0.8129 1.0613 0.9907 0.0300 -0.1514 -0.1109 17 LYS V CD ? ? 1 +22771 C CE . LYS Q 17 0.8106 1.0605 0.9991 0.0247 -0.1526 -0.1146 17 LYS V CE ? ? 1 +22772 N NZ . LYS Q 17 0.8338 1.0679 1.0047 0.0262 -0.1535 -0.1194 17 LYS V NZ ? ? 1 +22773 C C . LYS Q 17 0.7351 1.0246 0.9622 0.0258 -0.1425 -0.0958 17 LYS V C ? ? 1 +22774 O O . LYS Q 17 0.7232 1.0157 0.9543 0.0267 -0.1339 -0.0906 17 LYS V O ? ? 1 +22775 N N . THR Q 18 0.7167 1.0126 0.9574 0.0206 -0.1472 -0.0992 18 THR V N ? ? 1 +22776 C CA . THR Q 18 0.6881 0.9943 0.9487 0.0159 -0.1424 -0.0970 18 THR V CA ? ? 1 +22777 C CB . THR Q 18 0.6754 0.9961 0.9549 0.0111 -0.1501 -0.0984 18 THR V CB ? ? 1 +22778 O OG1 . THR Q 18 0.6865 1.0042 0.9651 0.0082 -0.1581 -0.1047 18 THR V OG1 ? ? 1 +22779 C CG2 . THR Q 18 0.6718 0.9994 0.9519 0.0135 -0.1552 -0.0968 18 THR V CG2 ? ? 1 +22780 C C . THR Q 18 0.6844 0.9829 0.9433 0.0138 -0.1387 -0.0995 18 THR V C ? ? 1 +22781 O O . THR Q 18 0.6998 0.9868 0.9447 0.0150 -0.1421 -0.1040 18 THR V O ? ? 1 +22782 N N . ILE Q 19 0.6626 0.9673 0.9356 0.0110 -0.1318 -0.0965 19 ILE V N ? ? 1 +22783 C CA . ILE Q 19 0.6604 0.9599 0.9354 0.0084 -0.1287 -0.0987 19 ILE V CA ? ? 1 +22784 C CB . ILE Q 19 0.6657 0.9567 0.9319 0.0121 -0.1178 -0.0957 19 ILE V CB ? ? 1 +22785 C CG1 . ILE Q 19 0.6765 0.9578 0.9385 0.0107 -0.1161 -0.0993 19 ILE V CG1 ? ? 1 +22786 C CG2 . ILE Q 19 0.6454 0.9466 0.9250 0.0120 -0.1094 -0.0895 19 ILE V CG2 ? ? 1 +22787 C CD1 . ILE Q 19 0.6780 0.9536 0.9360 0.0135 -0.1056 -0.0966 19 ILE V CD1 ? ? 1 +22788 C C . ILE Q 19 0.6369 0.9495 0.9342 0.0027 -0.1293 -0.0976 19 ILE V C ? ? 1 +22789 O O . ILE Q 19 0.6182 0.9425 0.9277 0.0019 -0.1279 -0.0936 19 ILE V O ? ? 1 +22790 N N . THR Q 20 0.6374 0.9477 0.9393 -0.0014 -0.1314 -0.1013 20 THR V N ? ? 1 +22791 C CA . THR Q 20 0.6207 0.9415 0.9423 -0.0070 -0.1311 -0.1004 20 THR V CA ? ? 1 +22792 C CB . THR Q 20 0.6210 0.9440 0.9481 -0.0119 -0.1406 -0.1059 20 THR V CB ? ? 1 +22793 O OG1 . THR Q 20 0.6218 0.9501 0.9473 -0.0108 -0.1482 -0.1071 20 THR V OG1 ? ? 1 +22794 C CG2 . THR Q 20 0.6040 0.9373 0.9509 -0.0180 -0.1403 -0.1052 20 THR V CG2 ? ? 1 +22795 C C . THR Q 20 0.6210 0.9373 0.9449 -0.0073 -0.1226 -0.0986 20 THR V C ? ? 1 +22796 O O . THR Q 20 0.6350 0.9395 0.9488 -0.0069 -0.1217 -0.1018 20 THR V O ? ? 1 +22797 N N . LEU Q 21 0.6094 0.9349 0.9462 -0.0080 -0.1165 -0.0936 21 LEU V N ? ? 1 +22798 C CA . LEU Q 21 0.6115 0.9342 0.9519 -0.0079 -0.1084 -0.0914 21 LEU V CA ? ? 1 +22799 C CB . LEU Q 21 0.5939 0.9260 0.9436 -0.0063 -0.1013 -0.0852 21 LEU V CB ? ? 1 +22800 C CG . LEU Q 21 0.5942 0.9257 0.9344 -0.0012 -0.0986 -0.0824 21 LEU V CG ? ? 1 +22801 C CD1 . LEU Q 21 0.5767 0.9196 0.9291 -0.0010 -0.0934 -0.0769 21 LEU V CD1 ? ? 1 +22802 C CD2 . LEU Q 21 0.6083 0.9271 0.9324 0.0034 -0.0930 -0.0830 21 LEU V CD2 ? ? 1 +22803 C C . LEU Q 21 0.6147 0.9397 0.9670 -0.0137 -0.1106 -0.0935 21 LEU V C ? ? 1 +22804 O O . LEU Q 21 0.6073 0.9409 0.9704 -0.0180 -0.1166 -0.0947 21 LEU V O ? ? 1 +22805 N N . THR Q 22 0.6291 0.9462 0.9791 -0.0136 -0.1054 -0.0938 22 THR V N ? ? 1 +22806 C CA . THR Q 22 0.6337 0.9522 0.9949 -0.0186 -0.1057 -0.0949 22 THR V CA ? ? 1 +22807 C CB . THR Q 22 0.6469 0.9517 0.9988 -0.0176 -0.1020 -0.0972 22 THR V CB ? ? 1 +22808 O OG1 . THR Q 22 0.6456 0.9485 0.9947 -0.0128 -0.0933 -0.0932 22 THR V OG1 ? ? 1 +22809 C CG2 . THR Q 22 0.6691 0.9613 1.0042 -0.0161 -0.1066 -0.1025 22 THR V CG2 ? ? 1 +22810 C C . THR Q 22 0.6240 0.9545 1.0014 -0.0199 -0.1008 -0.0895 22 THR V C ? ? 1 +22811 O O . THR Q 22 0.6177 0.9527 0.9957 -0.0162 -0.0958 -0.0853 22 THR V O ? ? 1 +22812 N N . GLU Q 23 0.6288 0.9639 1.0190 -0.0252 -0.1023 -0.0899 23 GLU V N ? ? 1 +22813 C CA . GLU Q 23 0.6240 0.9687 1.0287 -0.0266 -0.0975 -0.0852 23 GLU V CA ? ? 1 +22814 C CB . GLU Q 23 0.6292 0.9769 1.0458 -0.0331 -0.1003 -0.0868 23 GLU V CB ? ? 1 +22815 C CG . GLU Q 23 0.6214 0.9805 1.0539 -0.0352 -0.0967 -0.0820 23 GLU V CG ? ? 1 +22816 C CD . GLU Q 23 0.6285 0.9922 1.0732 -0.0420 -0.1002 -0.0835 23 GLU V CD ? ? 1 +22817 O OE1 . GLU Q 23 0.6455 1.0098 1.0901 -0.0455 -0.1071 -0.0877 23 GLU V OE1 ? ? 1 +22818 O OE2 . GLU Q 23 0.6304 0.9977 1.0849 -0.0439 -0.0962 -0.0806 23 GLU V OE2 ? ? 1 +22819 C C . GLU Q 23 0.6267 0.9660 1.0274 -0.0223 -0.0889 -0.0823 23 GLU V C ? ? 1 +22820 O O . GLU Q 23 0.6099 0.9569 1.0180 -0.0204 -0.0839 -0.0776 23 GLU V O ? ? 1 +22821 N N . LYS Q 24 0.6494 0.9753 1.0382 -0.0204 -0.0874 -0.0852 24 LYS V N ? ? 1 +22822 C CA . LYS Q 24 0.6615 0.9816 1.0458 -0.0160 -0.0795 -0.0830 24 LYS V CA ? ? 1 +22823 C CB . LYS Q 24 0.7027 1.0074 1.0748 -0.0154 -0.0795 -0.0874 24 LYS V CB ? ? 1 +22824 C CG . LYS Q 24 0.7293 1.0263 1.0954 -0.0104 -0.0717 -0.0860 24 LYS V CG ? ? 1 +22825 C CD . LYS Q 24 0.7670 1.0555 1.1167 -0.0047 -0.0694 -0.0873 24 LYS V CD ? ? 1 +22826 C CE . LYS Q 24 0.7892 1.0703 1.1331 0.0004 -0.0615 -0.0863 24 LYS V CE ? ? 1 +22827 N NZ . LYS Q 24 0.8060 1.0793 1.1341 0.0057 -0.0589 -0.0876 24 LYS V NZ ? ? 1 +22828 C C . LYS Q 24 0.6473 0.9693 1.0254 -0.0103 -0.0750 -0.0801 24 LYS V C ? ? 1 +22829 O O . LYS Q 24 0.6355 0.9615 1.0183 -0.0076 -0.0684 -0.0762 24 LYS V O ? ? 1 +22830 N N . GLN Q 25 0.6422 0.9614 1.0098 -0.0087 -0.0787 -0.0821 25 GLN V N ? ? 1 +22831 C CA . GLN Q 25 0.6309 0.9516 0.9920 -0.0038 -0.0748 -0.0795 25 GLN V CA ? ? 1 +22832 C CB . GLN Q 25 0.6451 0.9603 0.9927 -0.0023 -0.0801 -0.0825 25 GLN V CB ? ? 1 +22833 C CG . GLN Q 25 0.6681 0.9681 0.9984 0.0006 -0.0793 -0.0864 25 GLN V CG ? ? 1 +22834 C CD . GLN Q 25 0.6854 0.9800 1.0023 0.0019 -0.0853 -0.0895 25 GLN V CD ? ? 1 +22835 O OE1 . GLN Q 25 0.6887 0.9858 1.0080 -0.0016 -0.0935 -0.0923 25 GLN V OE1 ? ? 1 +22836 N NE2 . GLN Q 25 0.6961 0.9829 0.9984 0.0070 -0.0815 -0.0893 25 GLN V NE2 ? ? 1 +22837 C C . GLN Q 25 0.6027 0.9377 0.9771 -0.0043 -0.0728 -0.0745 25 GLN V C ? ? 1 +22838 O O . GLN Q 25 0.5968 0.9346 0.9722 -0.0010 -0.0661 -0.0709 25 GLN V O ? ? 1 +22839 N N . TYR Q 26 0.5837 0.9276 0.9683 -0.0086 -0.0786 -0.0745 26 TYR V N ? ? 1 +22840 C CA . TYR Q 26 0.5566 0.9141 0.9543 -0.0095 -0.0774 -0.0701 26 TYR V CA ? ? 1 +22841 C CB . TYR Q 26 0.5435 0.9096 0.9521 -0.0147 -0.0846 -0.0712 26 TYR V CB ? ? 1 +22842 C CG . TYR Q 26 0.5195 0.8993 0.9427 -0.0159 -0.0828 -0.0666 26 TYR V CG ? ? 1 +22843 C CD1 . TYR Q 26 0.5122 0.8979 0.9348 -0.0134 -0.0821 -0.0638 26 TYR V CD1 ? ? 1 +22844 C CD2 . TYR Q 26 0.5059 0.8917 0.9427 -0.0194 -0.0813 -0.0649 26 TYR V CD2 ? ? 1 +22845 C CE1 . TYR Q 26 0.4953 0.8929 0.9307 -0.0144 -0.0803 -0.0597 26 TYR V CE1 ? ? 1 +22846 C CE2 . TYR Q 26 0.4891 0.8869 0.9386 -0.0203 -0.0794 -0.0607 26 TYR V CE2 ? ? 1 +22847 C CZ . TYR Q 26 0.4846 0.8883 0.9334 -0.0178 -0.0789 -0.0582 26 TYR V CZ ? ? 1 +22848 O OH . TYR Q 26 0.4738 0.8889 0.9347 -0.0187 -0.0771 -0.0542 26 TYR V OH ? ? 1 +22849 C C . TYR Q 26 0.5429 0.9046 0.9504 -0.0091 -0.0704 -0.0664 26 TYR V C ? ? 1 +22850 O O . TYR Q 26 0.5325 0.9000 0.9431 -0.0065 -0.0654 -0.0625 26 TYR V O ? ? 1 +22851 N N . LEU Q 27 0.5416 0.9003 0.9539 -0.0118 -0.0703 -0.0677 27 LEU V N ? ? 1 +22852 C CA . LEU Q 27 0.5298 0.8924 0.9519 -0.0116 -0.0646 -0.0644 27 LEU V CA ? ? 1 +22853 C CB . LEU Q 27 0.5324 0.8906 0.9588 -0.0153 -0.0661 -0.0664 27 LEU V CB ? ? 1 +22854 C CG . LEU Q 27 0.5255 0.8907 0.9631 -0.0214 -0.0719 -0.0671 27 LEU V CG ? ? 1 +22855 C CD1 . LEU Q 27 0.5300 0.8889 0.9701 -0.0249 -0.0724 -0.0690 27 LEU V CD1 ? ? 1 +22856 C CD2 . LEU Q 27 0.5077 0.8869 0.9590 -0.0225 -0.0705 -0.0626 27 LEU V CD2 ? ? 1 +22857 C C . LEU Q 27 0.5347 0.8921 0.9495 -0.0061 -0.0572 -0.0629 27 LEU V C ? ? 1 +22858 O O . LEU Q 27 0.5236 0.8874 0.9461 -0.0045 -0.0519 -0.0592 27 LEU V O ? ? 1 +22859 N N . GLU Q 28 0.5524 0.8982 0.9525 -0.0033 -0.0570 -0.0661 28 GLU V N ? ? 1 +22860 C CA . GLU Q 28 0.5609 0.9010 0.9528 0.0021 -0.0500 -0.0653 28 GLU V CA ? ? 1 +22861 C CB . GLU Q 28 0.5902 0.9156 0.9657 0.0042 -0.0510 -0.0699 28 GLU V CB ? ? 1 +22862 C CG . GLU Q 28 0.6081 0.9249 0.9826 0.0038 -0.0498 -0.0720 28 GLU V CG ? ? 1 +22863 C CD . GLU Q 28 0.6186 0.9358 0.9962 0.0078 -0.0418 -0.0694 28 GLU V CD ? ? 1 +22864 O OE1 . GLU Q 28 0.6329 0.9485 1.0036 0.0125 -0.0366 -0.0685 28 GLU V OE1 ? ? 1 +22865 O OE2 . GLU Q 28 0.6240 0.9430 1.0107 0.0064 -0.0406 -0.0683 28 GLU V OE2 ? ? 1 +22866 C C . GLU Q 28 0.5465 0.8935 0.9381 0.0049 -0.0466 -0.0621 28 GLU V C ? ? 1 +22867 O O . GLU Q 28 0.5424 0.8925 0.9368 0.0080 -0.0399 -0.0592 28 GLU V O ? ? 1 +22868 N N . GLY Q 29 0.5367 0.8862 0.9254 0.0037 -0.0515 -0.0625 29 GLY V N ? ? 1 +22869 C CA . GLY Q 29 0.5240 0.8798 0.9124 0.0058 -0.0490 -0.0594 29 GLY V CA ? ? 1 +22870 C C . GLY Q 29 0.4984 0.8673 0.9025 0.0045 -0.0462 -0.0549 29 GLY V C ? ? 1 +22871 O O . GLY Q 29 0.4909 0.8639 0.8958 0.0071 -0.0408 -0.0519 29 GLY V O ? ? 1 +22872 N N . LYS Q 30 0.4852 0.8604 0.9015 0.0004 -0.0498 -0.0546 30 LYS V N ? ? 1 +22873 C CA . LYS Q 30 0.4651 0.8522 0.8963 -0.0011 -0.0475 -0.0505 30 LYS V CA ? ? 1 +22874 C CB . LYS Q 30 0.4569 0.8490 0.8991 -0.0061 -0.0527 -0.0511 30 LYS V CB ? ? 1 +22875 C CG . LYS Q 30 0.4405 0.8452 0.8975 -0.0078 -0.0512 -0.0470 30 LYS V CG ? ? 1 +22876 C CD . LYS Q 30 0.4343 0.8439 0.9018 -0.0129 -0.0559 -0.0475 30 LYS V CD ? ? 1 +22877 C CE . LYS Q 30 0.4192 0.8412 0.9001 -0.0141 -0.0544 -0.0434 30 LYS V CE ? ? 1 +22878 N NZ . LYS Q 30 0.4141 0.8409 0.9056 -0.0190 -0.0581 -0.0435 30 LYS V NZ ? ? 1 +22879 C C . LYS Q 30 0.4595 0.8468 0.8939 0.0018 -0.0400 -0.0485 30 LYS V C ? ? 1 +22880 O O . LYS Q 30 0.4492 0.8444 0.8902 0.0031 -0.0356 -0.0450 30 LYS V O ? ? 1 +22881 N N . ARG Q 31 0.4660 0.8444 0.8958 0.0028 -0.0387 -0.0508 31 ARG V N ? ? 1 +22882 C CA . ARG Q 31 0.4638 0.8416 0.8964 0.0058 -0.0323 -0.0494 31 ARG V CA ? ? 1 +22883 C CB . ARG Q 31 0.4801 0.8469 0.9071 0.0059 -0.0330 -0.0527 31 ARG V CB ? ? 1 +22884 C CG . ARG Q 31 0.4860 0.8508 0.9150 0.0095 -0.0267 -0.0517 31 ARG V CG ? ? 1 +22885 C CD . ARG Q 31 0.5026 0.8555 0.9252 0.0098 -0.0276 -0.0550 31 ARG V CD ? ? 1 +22886 N NE . ARG Q 31 0.5246 0.8658 0.9318 0.0121 -0.0278 -0.0587 31 ARG V NE ? ? 1 +22887 C CZ . ARG Q 31 0.5348 0.8719 0.9337 0.0171 -0.0224 -0.0589 31 ARG V CZ ? ? 1 +22888 N NH1 . ARG Q 31 0.5282 0.8718 0.9331 0.0204 -0.0160 -0.0560 31 ARG V NH1 ? ? 1 +22889 N NH2 . ARG Q 31 0.5506 0.8770 0.9349 0.0187 -0.0233 -0.0623 31 ARG V NH2 ? ? 1 +22890 C C . ARG Q 31 0.4616 0.8383 0.8874 0.0105 -0.0260 -0.0484 31 ARG V C ? ? 1 +22891 O O . ARG Q 31 0.4505 0.8338 0.8835 0.0125 -0.0206 -0.0455 31 ARG V O ? ? 1 +22892 N N . LEU Q 32 0.4705 0.8389 0.8825 0.0122 -0.0269 -0.0508 32 LEU V N ? ? 1 +22893 C CA . LEU Q 32 0.4739 0.8396 0.8775 0.0165 -0.0209 -0.0502 32 LEU V CA ? ? 1 +22894 C CB . LEU Q 32 0.4917 0.8451 0.8784 0.0180 -0.0230 -0.0539 32 LEU V CB ? ? 1 +22895 C CG . LEU Q 32 0.5048 0.8470 0.8840 0.0195 -0.0227 -0.0574 32 LEU V CG ? ? 1 +22896 C CD1 . LEU Q 32 0.5226 0.8532 0.8857 0.0202 -0.0261 -0.0612 32 LEU V CD1 ? ? 1 +22897 C CD2 . LEU Q 32 0.5073 0.8478 0.8858 0.0241 -0.0143 -0.0566 32 LEU V CD2 ? ? 1 +22898 C C . LEU Q 32 0.4603 0.8358 0.8690 0.0164 -0.0189 -0.0467 32 LEU V C ? ? 1 +22899 O O . LEU Q 32 0.4578 0.8361 0.8670 0.0193 -0.0123 -0.0447 32 LEU V O ? ? 1 +22900 N N . PHE Q 33 0.4496 0.8303 0.8622 0.0130 -0.0248 -0.0460 33 PHE V N ? ? 1 +22901 C CA . PHE Q 33 0.4361 0.8264 0.8548 0.0124 -0.0237 -0.0426 33 PHE V CA ? ? 1 +22902 C CB . PHE Q 33 0.4317 0.8254 0.8526 0.0089 -0.0314 -0.0429 33 PHE V CB ? ? 1 +22903 C CG . PHE Q 33 0.4195 0.8224 0.8462 0.0082 -0.0309 -0.0395 33 PHE V CG ? ? 1 +22904 C CD1 . PHE Q 33 0.4252 0.8252 0.8418 0.0103 -0.0297 -0.0389 33 PHE V CD1 ? ? 1 +22905 C CD2 . PHE Q 33 0.4025 0.8166 0.8442 0.0056 -0.0314 -0.0367 33 PHE V CD2 ? ? 1 +22906 C CE1 . PHE Q 33 0.4159 0.8236 0.8374 0.0097 -0.0292 -0.0358 33 PHE V CE1 ? ? 1 +22907 C CE2 . PHE Q 33 0.3925 0.8146 0.8392 0.0051 -0.0309 -0.0337 33 PHE V CE2 ? ? 1 +22908 C CZ . PHE Q 33 0.3995 0.8184 0.8362 0.0070 -0.0299 -0.0332 33 PHE V CZ ? ? 1 +22909 C C . PHE Q 33 0.4197 0.8206 0.8532 0.0120 -0.0195 -0.0392 33 PHE V C ? ? 1 +22910 O O . PHE Q 33 0.4134 0.8200 0.8498 0.0134 -0.0147 -0.0365 33 PHE V O ? ? 1 +22911 N N . GLN Q 34 0.4129 0.8163 0.8557 0.0100 -0.0213 -0.0393 34 GLN V N ? ? 1 +22912 C CA . GLN Q 34 0.3999 0.8124 0.8559 0.0100 -0.0176 -0.0364 34 GLN V CA ? ? 1 +22913 C CB . GLN Q 34 0.3964 0.8099 0.8607 0.0073 -0.0211 -0.0368 34 GLN V CB ? ? 1 +22914 C CG . GLN Q 34 0.3915 0.8102 0.8617 0.0028 -0.0276 -0.0365 34 GLN V CG ? ? 1 +22915 C CD . GLN Q 34 0.3896 0.8085 0.8672 -0.0004 -0.0308 -0.0371 34 GLN V CD ? ? 1 +22916 O OE1 . GLN Q 34 0.3917 0.8081 0.8717 0.0008 -0.0281 -0.0371 34 GLN V OE1 ? ? 1 +22917 N NE2 . GLN Q 34 0.3874 0.8093 0.8689 -0.0045 -0.0367 -0.0376 34 GLN V NE2 ? ? 1 +22918 C C . GLN Q 34 0.4020 0.8127 0.8560 0.0143 -0.0101 -0.0360 34 GLN V C ? ? 1 +22919 O O . GLN Q 34 0.3926 0.8116 0.8548 0.0154 -0.0055 -0.0333 34 GLN V O ? ? 1 +22920 N N . TYR Q 35 0.4147 0.8147 0.8579 0.0169 -0.0088 -0.0390 35 TYR V N ? ? 1 +22921 C CA . TYR Q 35 0.4186 0.8161 0.8594 0.0212 -0.0019 -0.0392 35 TYR V CA ? ? 1 +22922 C CB . TYR Q 35 0.4360 0.8203 0.8650 0.0231 -0.0026 -0.0431 35 TYR V CB ? ? 1 +22923 C CG . TYR Q 35 0.4476 0.8263 0.8685 0.0280 0.0042 -0.0443 35 TYR V CG ? ? 1 +22924 C CD1 . TYR Q 35 0.4450 0.8266 0.8724 0.0311 0.0095 -0.0435 35 TYR V CD1 ? ? 1 +22925 C CD2 . TYR Q 35 0.4621 0.8324 0.8686 0.0298 0.0054 -0.0462 35 TYR V CD2 ? ? 1 +22926 C CE1 . TYR Q 35 0.4553 0.8323 0.8759 0.0358 0.0160 -0.0448 35 TYR V CE1 ? ? 1 +22927 C CE2 . TYR Q 35 0.4727 0.8378 0.8716 0.0343 0.0120 -0.0473 35 TYR V CE2 ? ? 1 +22928 C CZ . TYR Q 35 0.4695 0.8384 0.8760 0.0373 0.0175 -0.0466 35 TYR V CZ ? ? 1 +22929 O OH . TYR Q 35 0.4809 0.8453 0.8805 0.0419 0.0243 -0.0479 35 TYR V OH ? ? 1 +22930 C C . TYR Q 35 0.4167 0.8169 0.8540 0.0235 0.0037 -0.0378 35 TYR V C ? ? 1 +22931 O O . TYR Q 35 0.4094 0.8163 0.8537 0.0254 0.0094 -0.0359 35 TYR V O ? ? 1 +22932 N N . ALA Q 36 0.4215 0.8169 0.8481 0.0230 0.0018 -0.0386 36 ALA V N ? ? 1 +22933 C CA . ALA Q 36 0.4237 0.8181 0.8431 0.0254 0.0073 -0.0378 36 ALA V CA ? ? 1 +22934 C CB . ALA Q 36 0.4421 0.8232 0.8442 0.0277 0.0072 -0.0410 36 ALA V CB ? ? 1 +22935 C C . ALA Q 36 0.4137 0.8147 0.8355 0.0234 0.0064 -0.0351 36 ALA V C ? ? 1 +22936 O O . ALA Q 36 0.4163 0.8176 0.8338 0.0250 0.0117 -0.0339 36 ALA V O ? ? 1 +22937 N N . CYS Q 37 0.4031 0.8090 0.8313 0.0198 0.0000 -0.0342 37 CYS V N ? ? 1 +22938 C CA . CYS Q 37 0.3970 0.8070 0.8248 0.0181 -0.0019 -0.0321 37 CYS V CA ? ? 1 +22939 C CB . CYS Q 37 0.4061 0.8086 0.8233 0.0170 -0.0090 -0.0344 37 CYS V CB ? ? 1 +22940 S SG . CYS Q 37 0.4267 0.8135 0.8247 0.0202 -0.0087 -0.0386 37 CYS V SG ? ? 1 +22941 C C . CYS Q 37 0.3785 0.8007 0.8214 0.0151 -0.0038 -0.0291 37 CYS V C ? ? 1 +22942 O O . CYS Q 37 0.3729 0.8002 0.8178 0.0145 -0.0022 -0.0267 37 CYS V O ? ? 1 +22943 N N . ALA Q 38 0.3697 0.7959 0.8226 0.0131 -0.0073 -0.0293 38 ALA V N ? ? 1 +22944 C CA . ALA Q 38 0.3537 0.7902 0.8197 0.0099 -0.0103 -0.0269 38 ALA V CA ? ? 1 +22945 C CB . ALA Q 38 0.3496 0.7870 0.8229 0.0079 -0.0143 -0.0280 38 ALA V CB ? ? 1 +22946 C C . ALA Q 38 0.3416 0.7880 0.8179 0.0103 -0.0049 -0.0236 38 ALA V C ? ? 1 +22947 O O . ALA Q 38 0.3300 0.7846 0.8147 0.0080 -0.0067 -0.0213 38 ALA V O ? ? 1 +22948 N N . SER Q 39 0.3436 0.7895 0.8197 0.0131 0.0017 -0.0236 39 SER V N ? ? 1 +22949 C CA . SER Q 39 0.3325 0.7880 0.8187 0.0135 0.0069 -0.0209 39 SER V CA ? ? 1 +22950 C CB . SER Q 39 0.3379 0.7918 0.8226 0.0171 0.0139 -0.0216 39 SER V CB ? ? 1 +22951 O OG . SER Q 39 0.3514 0.7972 0.8228 0.0191 0.0171 -0.0229 39 SER V OG ? ? 1 +22952 C C . SER Q 39 0.3295 0.7885 0.8144 0.0123 0.0078 -0.0187 39 SER V C ? ? 1 +22953 O O . SER Q 39 0.3178 0.7862 0.8131 0.0109 0.0089 -0.0162 39 SER V O ? ? 1 +22954 N N . CYS Q 40 0.3410 0.7919 0.8126 0.0131 0.0072 -0.0198 40 CYS V N ? ? 1 +22955 C CA . CYS Q 40 0.3400 0.7924 0.8085 0.0120 0.0069 -0.0179 40 CYS V CA ? ? 1 +22956 C CB . CYS Q 40 0.3536 0.7982 0.8088 0.0144 0.0122 -0.0185 40 CYS V CB ? ? 1 +22957 S SG . CYS Q 40 0.3552 0.8023 0.8136 0.0169 0.0223 -0.0181 40 CYS V SG ? ? 1 +22958 C C . CYS Q 40 0.3395 0.7903 0.8052 0.0098 -0.0010 -0.0183 40 CYS V C ? ? 1 +22959 O O . CYS Q 40 0.3321 0.7877 0.8009 0.0083 -0.0025 -0.0162 40 CYS V O ? ? 1 +22960 N N . HIS Q 41 0.3469 0.7910 0.8068 0.0098 -0.0062 -0.0211 41 HIS V N ? ? 1 +22961 C CA . HIS Q 41 0.3501 0.7916 0.8053 0.0083 -0.0136 -0.0221 41 HIS V CA ? ? 1 +22962 C CB . HIS Q 41 0.3675 0.7968 0.8063 0.0103 -0.0152 -0.0252 41 HIS V CB ? ? 1 +22963 C CG . HIS Q 41 0.3780 0.8012 0.8044 0.0129 -0.0106 -0.0246 41 HIS V CG ? ? 1 +22964 N ND1 . HIS Q 41 0.3772 0.8018 0.8008 0.0126 -0.0113 -0.0226 41 HIS V ND1 ? ? 1 +22965 C CE1 . HIS Q 41 0.3890 0.8061 0.8003 0.0151 -0.0062 -0.0225 41 HIS V CE1 ? ? 1 +22966 N NE2 . HIS Q 41 0.3972 0.8089 0.8038 0.0171 -0.0022 -0.0244 41 HIS V NE2 ? ? 1 +22967 C CD2 . HIS Q 41 0.3901 0.8054 0.8062 0.0158 -0.0051 -0.0258 41 HIS V CD2 ? ? 1 +22968 C C . HIS Q 41 0.3419 0.7882 0.8068 0.0053 -0.0200 -0.0228 41 HIS V C ? ? 1 +22969 O O . HIS Q 41 0.3459 0.7894 0.8067 0.0041 -0.0264 -0.0245 41 HIS V O ? ? 1 +22970 N N . VAL Q 42 0.3311 0.7848 0.8088 0.0041 -0.0184 -0.0215 42 VAL V N ? ? 1 +22971 C CA . VAL Q 42 0.3233 0.7817 0.8107 0.0011 -0.0237 -0.0218 42 VAL V CA ? ? 1 +22972 C CB . VAL Q 42 0.3102 0.7775 0.8116 0.0002 -0.0206 -0.0195 42 VAL V CB ? ? 1 +22973 C CG1 . VAL Q 42 0.3011 0.7765 0.8084 0.0002 -0.0171 -0.0162 42 VAL V CG1 ? ? 1 +22974 C CG2 . VAL Q 42 0.3031 0.7745 0.8137 -0.0030 -0.0257 -0.0197 42 VAL V CG2 ? ? 1 +22975 C C . VAL Q 42 0.3198 0.7817 0.8085 -0.0012 -0.0297 -0.0214 42 VAL V C ? ? 1 +22976 O O . VAL Q 42 0.3145 0.7811 0.8048 -0.0012 -0.0287 -0.0191 42 VAL V O ? ? 1 +22977 N N . GLY Q 43 0.3234 0.7829 0.8113 -0.0031 -0.0360 -0.0239 43 GLY V N ? ? 1 +22978 C CA . GLY Q 43 0.3201 0.7837 0.8106 -0.0052 -0.0421 -0.0239 43 GLY V CA ? ? 1 +22979 C C . GLY Q 43 0.3295 0.7887 0.8086 -0.0034 -0.0441 -0.0244 43 GLY V C ? ? 1 +22980 O O . GLY Q 43 0.3269 0.7902 0.8083 -0.0045 -0.0488 -0.0240 43 GLY V O ? ? 1 +22981 N N . GLY Q 44 0.3418 0.7925 0.8085 -0.0003 -0.0404 -0.0251 44 GLY V N ? ? 1 +22982 C CA . GLY Q 44 0.3533 0.7978 0.8070 0.0018 -0.0421 -0.0257 44 GLY V CA ? ? 1 +22983 C C . GLY Q 44 0.3513 0.7983 0.8034 0.0032 -0.0379 -0.0224 44 GLY V C ? ? 1 +22984 O O . GLY Q 44 0.3597 0.8012 0.8007 0.0050 -0.0392 -0.0225 44 GLY V O ? ? 1 +22985 N N . ILE Q 45 0.3413 0.7961 0.8042 0.0023 -0.0329 -0.0195 45 ILE V N ? ? 1 +22986 C CA . ILE Q 45 0.3410 0.7974 0.8024 0.0034 -0.0277 -0.0165 45 ILE V CA ? ? 1 +22987 C CB . ILE Q 45 0.3245 0.7926 0.8012 0.0012 -0.0266 -0.0135 45 ILE V CB ? ? 1 +22988 C CG1 . ILE Q 45 0.3163 0.7896 0.8042 0.0001 -0.0233 -0.0132 45 ILE V CG1 ? ? 1 +22989 C CG2 . ILE Q 45 0.3180 0.7911 0.8001 -0.0008 -0.0338 -0.0135 45 ILE V CG2 ? ? 1 +22990 C CD1 . ILE Q 45 0.3124 0.7890 0.8041 0.0009 -0.0162 -0.0111 45 ILE V CD1 ? ? 1 +22991 C C . ILE Q 45 0.3483 0.7991 0.8028 0.0058 -0.0201 -0.0165 45 ILE V C ? ? 1 +22992 O O . ILE Q 45 0.3554 0.7996 0.8038 0.0070 -0.0195 -0.0189 45 ILE V O ? ? 1 +22993 N N . THR Q 46 0.3479 0.8007 0.8025 0.0064 -0.0143 -0.0138 46 THR V N ? ? 1 +22994 C CA . THR Q 46 0.3545 0.8042 0.8052 0.0082 -0.0062 -0.0135 46 THR V CA ? ? 1 +22995 C CB . THR Q 46 0.3706 0.8098 0.8043 0.0106 -0.0041 -0.0139 46 THR V CB ? ? 1 +22996 O OG1 . THR Q 46 0.3813 0.8124 0.8045 0.0116 -0.0104 -0.0168 46 THR V OG1 ? ? 1 +22997 C CG2 . THR Q 46 0.3779 0.8131 0.8067 0.0126 0.0044 -0.0141 46 THR V CG2 ? ? 1 +22998 C C . THR Q 46 0.3427 0.8020 0.8053 0.0069 -0.0010 -0.0105 46 THR V C ? ? 1 +22999 O O . THR Q 46 0.3399 0.8014 0.8024 0.0063 0.0001 -0.0082 46 THR V O ? ? 1 +23000 N N A LYS Q 47 0.3366 0.8012 0.8092 0.0067 0.0022 -0.0106 47 LYS V N ? ? 1 +23001 N N B LYS Q 47 0.3368 0.8014 0.8094 0.0067 0.0021 -0.0106 47 LYS V N ? ? 1 +23002 C CA A LYS Q 47 0.3244 0.7991 0.8100 0.0054 0.0062 -0.0081 47 LYS V CA ? ? 1 +23003 C CA B LYS Q 47 0.3248 0.7995 0.8103 0.0054 0.0062 -0.0081 47 LYS V CA ? ? 1 +23004 C C A LYS Q 47 0.3282 0.8024 0.8103 0.0062 0.0137 -0.0066 47 LYS V C ? ? 1 +23005 C C B LYS Q 47 0.3284 0.8026 0.8104 0.0062 0.0137 -0.0066 47 LYS V C ? ? 1 +23006 O O A LYS Q 47 0.3199 0.8011 0.8095 0.0046 0.0157 -0.0042 47 LYS V O ? ? 1 +23007 O O B LYS Q 47 0.3203 0.8015 0.8099 0.0046 0.0157 -0.0042 47 LYS V O ? ? 1 +23008 C CB A LYS Q 47 0.3179 0.7975 0.8138 0.0055 0.0076 -0.0089 47 LYS V CB ? ? 1 +23009 C CB B LYS Q 47 0.3185 0.7982 0.8144 0.0055 0.0076 -0.0089 47 LYS V CB ? ? 1 +23010 C CG A LYS Q 47 0.3101 0.7935 0.8139 0.0036 0.0009 -0.0093 47 LYS V CG ? ? 1 +23011 C CG B LYS Q 47 0.3110 0.7943 0.8147 0.0036 0.0009 -0.0093 47 LYS V CG ? ? 1 +23012 C CD A LYS Q 47 0.3037 0.7918 0.8176 0.0038 0.0023 -0.0097 47 LYS V CD ? ? 1 +23013 C CD B LYS Q 47 0.3046 0.7926 0.8184 0.0038 0.0023 -0.0096 47 LYS V CD ? ? 1 +23014 C CE A LYS Q 47 0.2944 0.7874 0.8174 0.0014 -0.0036 -0.0093 47 LYS V CE ? ? 1 +23015 C CE B LYS Q 47 0.2954 0.7884 0.8183 0.0013 -0.0036 -0.0093 47 LYS V CE ? ? 1 +23016 N NZ A LYS Q 47 0.2893 0.7857 0.8210 0.0017 -0.0025 -0.0096 47 LYS V NZ ? ? 1 +23017 N NZ B LYS Q 47 0.2905 0.7868 0.8220 0.0017 -0.0026 -0.0096 47 LYS V NZ ? ? 1 +23018 N N . THR Q 48 0.3420 0.8076 0.8122 0.0085 0.0179 -0.0080 48 THR V N ? ? 1 +23019 C CA . THR Q 48 0.3477 0.8123 0.8142 0.0091 0.0257 -0.0067 48 THR V CA ? ? 1 +23020 C CB . THR Q 48 0.3569 0.8169 0.8183 0.0116 0.0316 -0.0086 48 THR V CB ? ? 1 +23021 O OG1 . THR Q 48 0.3706 0.8199 0.8188 0.0135 0.0281 -0.0111 48 THR V OG1 ? ? 1 +23022 C CG2 . THR Q 48 0.3469 0.8148 0.8215 0.0119 0.0333 -0.0092 48 THR V CG2 ? ? 1 +23023 C C . THR Q 48 0.3580 0.8156 0.8120 0.0091 0.0253 -0.0056 48 THR V C ? ? 1 +23024 O O . THR Q 48 0.3640 0.8198 0.8138 0.0093 0.0317 -0.0043 48 THR V O ? ? 1 +23025 N N . ASN Q 49 0.3618 0.8153 0.8100 0.0090 0.0179 -0.0061 49 ASN V N ? ? 1 +23026 C CA . ASN Q 49 0.3700 0.8177 0.8075 0.0092 0.0164 -0.0048 49 ASN V CA ? ? 1 +23027 C CB . ASN Q 49 0.3888 0.8240 0.8085 0.0118 0.0196 -0.0060 49 ASN V CB ? ? 1 +23028 C CG . ASN Q 49 0.3984 0.8268 0.8063 0.0123 0.0191 -0.0044 49 ASN V CG ? ? 1 +23029 O OD1 . ASN Q 49 0.3929 0.8253 0.8050 0.0110 0.0149 -0.0028 49 ASN V OD1 ? ? 1 +23030 N ND2 . ASN Q 49 0.4147 0.8326 0.8074 0.0144 0.0235 -0.0048 49 ASN V ND2 ? ? 1 +23031 C C . ASN Q 49 0.3674 0.8157 0.8055 0.0086 0.0070 -0.0053 49 ASN V C ? ? 1 +23032 O O . ASN Q 49 0.3779 0.8181 0.8048 0.0101 0.0024 -0.0072 49 ASN V O ? ? 1 +23033 N N A PRO Q 50 0.3529 0.8111 0.8042 0.0062 0.0040 -0.0036 50 PRO V N ? ? 1 +23034 N N B PRO Q 50 0.3528 0.8109 0.8041 0.0062 0.0040 -0.0036 50 PRO V N ? ? 1 +23035 C CA A PRO Q 50 0.3489 0.8094 0.8032 0.0054 -0.0046 -0.0042 50 PRO V CA ? ? 1 +23036 C CA B PRO Q 50 0.3489 0.8094 0.8032 0.0054 -0.0046 -0.0042 50 PRO V CA ? ? 1 +23037 C C A PRO Q 50 0.3597 0.8130 0.8016 0.0067 -0.0094 -0.0043 50 PRO V C ? ? 1 +23038 C C B PRO Q 50 0.3598 0.8132 0.8017 0.0067 -0.0094 -0.0043 50 PRO V C ? ? 1 +23039 O O A PRO Q 50 0.3585 0.8134 0.8021 0.0063 -0.0168 -0.0054 50 PRO V O ? ? 1 +23040 O O B PRO Q 50 0.3591 0.8139 0.8026 0.0064 -0.0168 -0.0054 50 PRO V O ? ? 1 +23041 C CB A PRO Q 50 0.3321 0.8041 0.8019 0.0028 -0.0047 -0.0019 50 PRO V CB ? ? 1 +23042 C CB B PRO Q 50 0.3320 0.8040 0.8018 0.0028 -0.0046 -0.0019 50 PRO V CB ? ? 1 +23043 C CG A PRO Q 50 0.3267 0.8033 0.8040 0.0024 0.0028 -0.0011 50 PRO V CG ? ? 1 +23044 C CG B PRO Q 50 0.3267 0.8033 0.8040 0.0024 0.0028 -0.0011 50 PRO V CG ? ? 1 +23045 C CD A PRO Q 50 0.3403 0.8081 0.8047 0.0043 0.0088 -0.0013 50 PRO V CD ? ? 1 +23046 C CD B PRO Q 50 0.3401 0.8080 0.8046 0.0043 0.0088 -0.0013 50 PRO V CD ? ? 1 +23047 N N . SER Q 51 0.3716 0.8171 0.8010 0.0083 -0.0050 -0.0032 51 SER V N ? ? 1 +23048 C CA . SER Q 51 0.3841 0.8212 0.7996 0.0103 -0.0092 -0.0033 51 SER V CA ? ? 1 +23049 C CB . SER Q 51 0.3946 0.8242 0.7986 0.0115 -0.0025 -0.0013 51 SER V CB ? ? 1 +23050 O OG . SER Q 51 0.3846 0.8212 0.7977 0.0094 0.0011 0.0016 51 SER V OG ? ? 1 +23051 C C . SER Q 51 0.3977 0.8265 0.8020 0.0124 -0.0145 -0.0066 51 SER V C ? ? 1 +23052 O O . SER Q 51 0.4068 0.8313 0.8031 0.0137 -0.0208 -0.0073 51 SER V O ? ? 1 +23053 N N . LEU Q 52 0.4016 0.8279 0.8048 0.0128 -0.0120 -0.0087 52 LEU V N ? ? 1 +23054 C CA . LEU Q 52 0.4149 0.8329 0.8074 0.0146 -0.0165 -0.0121 52 LEU V CA ? ? 1 +23055 C CB . LEU Q 52 0.4309 0.8386 0.8099 0.0170 -0.0100 -0.0130 52 LEU V CB ? ? 1 +23056 C CG . LEU Q 52 0.4445 0.8437 0.8091 0.0189 -0.0059 -0.0111 52 LEU V CG ? ? 1 +23057 C CD1 . LEU Q 52 0.4598 0.8490 0.8116 0.0211 0.0008 -0.0122 52 LEU V CD1 ? ? 1 +23058 C CD2 . LEU Q 52 0.4546 0.8474 0.8078 0.0206 -0.0132 -0.0116 52 LEU V CD2 ? ? 1 +23059 C C . LEU Q 52 0.4071 0.8309 0.8107 0.0130 -0.0206 -0.0144 52 LEU V C ? ? 1 +23060 O O . LEU Q 52 0.3994 0.8279 0.8121 0.0119 -0.0162 -0.0143 52 LEU V O ? ? 1 +23061 N N . ASP Q 53 0.4104 0.8337 0.8129 0.0128 -0.0291 -0.0166 53 ASP V N ? ? 1 +23062 C CA . ASP Q 53 0.4038 0.8317 0.8160 0.0108 -0.0335 -0.0189 53 ASP V CA ? ? 1 +23063 C CB . ASP Q 53 0.3906 0.8280 0.8148 0.0085 -0.0400 -0.0184 53 ASP V CB ? ? 1 +23064 C CG . ASP Q 53 0.3966 0.8312 0.8131 0.0097 -0.0465 -0.0190 53 ASP V CG ? ? 1 +23065 O OD1 . ASP Q 53 0.4101 0.8354 0.8132 0.0118 -0.0498 -0.0216 53 ASP V OD1 ? ? 1 +23066 O OD2 . ASP Q 53 0.3888 0.8302 0.8124 0.0088 -0.0485 -0.0170 53 ASP V OD2 ? ? 1 +23067 C C . ASP Q 53 0.4193 0.8376 0.8197 0.0124 -0.0375 -0.0228 53 ASP V C ? ? 1 +23068 O O . ASP Q 53 0.4343 0.8424 0.8189 0.0151 -0.0367 -0.0236 53 ASP V O ? ? 1 +23069 N N . LEU Q 54 0.4175 0.8387 0.8254 0.0105 -0.0415 -0.0253 54 LEU V N ? ? 1 +23070 C CA . LEU Q 54 0.4330 0.8458 0.8313 0.0113 -0.0459 -0.0293 54 LEU V CA ? ? 1 +23071 C CB . LEU Q 54 0.4294 0.8425 0.8339 0.0102 -0.0432 -0.0308 54 LEU V CB ? ? 1 +23072 C CG . LEU Q 54 0.4286 0.8406 0.8330 0.0116 -0.0337 -0.0289 54 LEU V CG ? ? 1 +23073 C CD1 . LEU Q 54 0.4291 0.8394 0.8368 0.0113 -0.0319 -0.0309 54 LEU V CD1 ? ? 1 +23074 C CD2 . LEU Q 54 0.4430 0.8451 0.8310 0.0150 -0.0295 -0.0288 54 LEU V CD2 ? ? 1 +23075 C C . LEU Q 54 0.4372 0.8521 0.8371 0.0100 -0.0556 -0.0315 54 LEU V C ? ? 1 +23076 O O . LEU Q 54 0.4434 0.8551 0.8417 0.0092 -0.0602 -0.0350 54 LEU V O ? ? 1 +23077 N N . ARG Q 55 0.4370 0.8574 0.8404 0.0098 -0.0587 -0.0296 55 ARG V N ? ? 1 +23078 C CA . ARG Q 55 0.4446 0.8668 0.8480 0.0093 -0.0678 -0.0318 55 ARG V CA ? ? 1 +23079 C CB . ARG Q 55 0.4444 0.8741 0.8539 0.0091 -0.0698 -0.0291 55 ARG V CB ? ? 1 +23080 C CG . ARG Q 55 0.4373 0.8792 0.8653 0.0058 -0.0683 -0.0270 55 ARG V CG ? ? 1 +23081 C CD . ARG Q 55 0.4425 0.8922 0.8773 0.0055 -0.0706 -0.0246 55 ARG V CD ? ? 1 +23082 N NE . ARG Q 55 0.4426 0.9039 0.8951 0.0019 -0.0719 -0.0240 55 ARG V NE ? ? 1 +23083 C CZ . ARG Q 55 0.4451 0.9151 0.9075 0.0009 -0.0719 -0.0213 55 ARG V CZ ? ? 1 +23084 N NH1 . ARG Q 55 0.4569 0.9257 0.9142 0.0030 -0.0697 -0.0186 55 ARG V NH1 ? ? 1 +23085 N NH2 . ARG Q 55 0.4318 0.9115 0.9093 -0.0024 -0.0738 -0.0213 55 ARG V NH2 ? ? 1 +23086 C C . ARG Q 55 0.4618 0.8721 0.8468 0.0124 -0.0714 -0.0347 55 ARG V C ? ? 1 +23087 O O . ARG Q 55 0.4727 0.8746 0.8445 0.0154 -0.0670 -0.0335 55 ARG V O ? ? 1 +23088 N N . THR Q 56 0.4644 0.8740 0.8487 0.0115 -0.0795 -0.0385 56 THR V N ? ? 1 +23089 C CA . THR Q 56 0.4804 0.8793 0.8479 0.0144 -0.0843 -0.0417 56 THR V CA ? ? 1 +23090 C CB . THR Q 56 0.4814 0.8829 0.8533 0.0122 -0.0936 -0.0462 56 THR V CB ? ? 1 +23091 O OG1 . THR Q 56 0.4742 0.8787 0.8563 0.0088 -0.0919 -0.0475 56 THR V OG1 ? ? 1 +23092 C CG2 . THR Q 56 0.5004 0.8907 0.8552 0.0150 -0.0989 -0.0500 56 THR V CG2 ? ? 1 +23093 C C . THR Q 56 0.4866 0.8818 0.8432 0.0179 -0.0852 -0.0398 56 THR V C ? ? 1 +23094 O O . THR Q 56 0.5013 0.8850 0.8406 0.0214 -0.0841 -0.0405 56 THR V O ? ? 1 +23095 N N . GLU Q 57 0.4761 0.8804 0.8423 0.0172 -0.0870 -0.0373 57 GLU V N ? ? 1 +23096 C CA . GLU Q 57 0.4838 0.8849 0.8405 0.0205 -0.0882 -0.0353 57 GLU V CA ? ? 1 +23097 C CB . GLU Q 57 0.4754 0.8884 0.8461 0.0191 -0.0909 -0.0331 57 GLU V CB ? ? 1 +23098 C CG . GLU Q 57 0.4754 0.8968 0.8566 0.0170 -0.1000 -0.0363 57 GLU V CG ? ? 1 +23099 C CD . GLU Q 57 0.4674 0.8972 0.8649 0.0123 -0.0995 -0.0375 57 GLU V CD ? ? 1 +23100 O OE1 . GLU Q 57 0.4558 0.8869 0.8589 0.0106 -0.0920 -0.0353 57 GLU V OE1 ? ? 1 +23101 O OE2 . GLU Q 57 0.4742 0.9091 0.8786 0.0103 -0.1068 -0.0408 57 GLU V OE2 ? ? 1 +23102 C C . GLU Q 57 0.4851 0.8786 0.8313 0.0228 -0.0791 -0.0319 57 GLU V C ? ? 1 +23103 O O . GLU Q 57 0.4974 0.8811 0.8272 0.0264 -0.0792 -0.0316 57 GLU V O ? ? 1 +23104 N N . THR Q 58 0.4711 0.8694 0.8272 0.0206 -0.0712 -0.0295 58 THR V N ? ? 1 +23105 C CA . THR Q 58 0.4720 0.8645 0.8206 0.0220 -0.0618 -0.0266 58 THR V CA ? ? 1 +23106 C CB . THR Q 58 0.4564 0.8578 0.8205 0.0190 -0.0549 -0.0242 58 THR V CB ? ? 1 +23107 O OG1 . THR Q 58 0.4409 0.8543 0.8206 0.0166 -0.0580 -0.0226 58 THR V OG1 ? ? 1 +23108 C CG2 . THR Q 58 0.4594 0.8569 0.8181 0.0202 -0.0450 -0.0210 58 THR V CG2 ? ? 1 +23109 C C . THR Q 58 0.4866 0.8662 0.8187 0.0245 -0.0592 -0.0288 58 THR V C ? ? 1 +23110 O O . THR Q 58 0.4989 0.8692 0.8164 0.0273 -0.0550 -0.0274 58 THR V O ? ? 1 +23111 N N . LEU Q 59 0.4855 0.8642 0.8196 0.0233 -0.0617 -0.0323 59 LEU V N ? ? 1 +23112 C CA . LEU Q 59 0.5002 0.8669 0.8194 0.0255 -0.0595 -0.0348 59 LEU V CA ? ? 1 +23113 C CB . LEU Q 59 0.4965 0.8651 0.8230 0.0232 -0.0620 -0.0383 59 LEU V CB ? ? 1 +23114 C CG . LEU Q 59 0.4806 0.8575 0.8229 0.0204 -0.0559 -0.0367 59 LEU V CG ? ? 1 +23115 C CD1 . LEU Q 59 0.4782 0.8563 0.8269 0.0181 -0.0593 -0.0401 59 LEU V CD1 ? ? 1 +23116 C CD2 . LEU Q 59 0.4848 0.8567 0.8212 0.0222 -0.0454 -0.0346 59 LEU V CD2 ? ? 1 +23117 C C . LEU Q 59 0.5192 0.8747 0.8193 0.0291 -0.0650 -0.0368 59 LEU V C ? ? 1 +23118 O O . LEU Q 59 0.5340 0.8778 0.8178 0.0319 -0.0610 -0.0373 59 LEU V O ? ? 1 +23119 N N . ALA Q 60 0.5183 0.8777 0.8207 0.0291 -0.0741 -0.0380 60 ALA V N ? ? 1 +23120 C CA . ALA Q 60 0.5349 0.8850 0.8204 0.0327 -0.0806 -0.0400 60 ALA V CA ? ? 1 +23121 C CB . ALA Q 60 0.5291 0.8874 0.8231 0.0318 -0.0908 -0.0416 60 ALA V CB ? ? 1 +23122 C C . ALA Q 60 0.5448 0.8867 0.8160 0.0362 -0.0758 -0.0366 60 ALA V C ? ? 1 +23123 O O . ALA Q 60 0.5647 0.8941 0.8167 0.0398 -0.0770 -0.0379 60 ALA V O ? ? 1 +23124 N N . LEU Q 61 0.5325 0.8812 0.8127 0.0350 -0.0704 -0.0323 61 LEU V N ? ? 1 +23125 C CA . LEU Q 61 0.5410 0.8826 0.8091 0.0377 -0.0657 -0.0288 61 LEU V CA ? ? 1 +23126 C CB . LEU Q 61 0.5261 0.8782 0.8071 0.0363 -0.0662 -0.0255 61 LEU V CB ? ? 1 +23127 C CG . LEU Q 61 0.5242 0.8810 0.8080 0.0372 -0.0772 -0.0270 61 LEU V CG ? ? 1 +23128 C CD1 . LEU Q 61 0.5101 0.8767 0.8063 0.0359 -0.0769 -0.0237 61 LEU V CD1 ? ? 1 +23129 C CD2 . LEU Q 61 0.5447 0.8888 0.8075 0.0421 -0.0823 -0.0284 61 LEU V CD2 ? ? 1 +23130 C C . LEU Q 61 0.5461 0.8810 0.8073 0.0381 -0.0543 -0.0268 61 LEU V C ? ? 1 +23131 O O . LEU Q 61 0.5544 0.8829 0.8054 0.0399 -0.0490 -0.0238 61 LEU V O ? ? 1 +23132 N N . ALA Q 62 0.5424 0.8785 0.8089 0.0364 -0.0505 -0.0285 62 ALA V N ? ? 1 +23133 C CA . ALA Q 62 0.5486 0.8781 0.8080 0.0370 -0.0402 -0.0273 62 ALA V CA ? ? 1 +23134 C CB . ALA Q 62 0.5397 0.8745 0.8107 0.0346 -0.0373 -0.0292 62 ALA V CB ? ? 1 +23135 C C . ALA Q 62 0.5725 0.8858 0.8080 0.0411 -0.0401 -0.0289 62 ALA V C ? ? 1 +23136 O O . ALA Q 62 0.5827 0.8906 0.8088 0.0431 -0.0488 -0.0317 62 ALA V O ? ? 1 +23137 N N . THR Q 63 0.5815 0.8871 0.8073 0.0423 -0.0303 -0.0272 63 THR V N ? ? 1 +23138 C CA . THR Q 63 0.6042 0.8937 0.8068 0.0461 -0.0284 -0.0286 63 THR V CA ? ? 1 +23139 C CB . THR Q 63 0.6143 0.8961 0.8039 0.0481 -0.0233 -0.0250 63 THR V CB ? ? 1 +23140 O OG1 . THR Q 63 0.6112 0.8970 0.8036 0.0484 -0.0304 -0.0235 63 THR V OG1 ? ? 1 +23141 C CG2 . THR Q 63 0.6391 0.9036 0.8036 0.0522 -0.0217 -0.0262 63 THR V CG2 ? ? 1 +23142 C C . THR Q 63 0.6081 0.8938 0.8086 0.0461 -0.0208 -0.0302 63 THR V C ? ? 1 +23143 O O . THR Q 63 0.6007 0.8910 0.8093 0.0445 -0.0116 -0.0279 63 THR V O ? ? 1 +23144 N N . PRO Q 64 0.6198 0.8975 0.8103 0.0478 -0.0245 -0.0343 64 PRO V N ? ? 1 +23145 C CA . PRO Q 64 0.6264 0.9010 0.8110 0.0490 -0.0362 -0.0377 64 PRO V CA ? ? 1 +23146 C CB . PRO Q 64 0.6444 0.9068 0.8137 0.0514 -0.0357 -0.0415 64 PRO V CB ? ? 1 +23147 C CG . PRO Q 64 0.6378 0.9033 0.8152 0.0499 -0.0254 -0.0408 64 PRO V CG ? ? 1 +23148 C CD . PRO Q 64 0.6273 0.8990 0.8125 0.0486 -0.0172 -0.0359 64 PRO V CD ? ? 1 +23149 C C . PRO Q 64 0.6066 0.8954 0.8123 0.0454 -0.0433 -0.0390 64 PRO V C ? ? 1 +23150 O O . PRO Q 64 0.5896 0.8890 0.8127 0.0423 -0.0388 -0.0377 64 PRO V O ? ? 1 +23151 N N . PRO Q 65 0.6096 0.8992 0.8145 0.0457 -0.0544 -0.0418 65 PRO V N ? ? 1 +23152 C CA . PRO Q 65 0.5920 0.8952 0.8170 0.0420 -0.0611 -0.0430 65 PRO V CA ? ? 1 +23153 C CB . PRO Q 65 0.6012 0.9008 0.8183 0.0435 -0.0728 -0.0467 65 PRO V CB ? ? 1 +23154 C CG . PRO Q 65 0.6206 0.9073 0.8160 0.0481 -0.0725 -0.0458 65 PRO V CG ? ? 1 +23155 C CD . PRO Q 65 0.6295 0.9073 0.8145 0.0495 -0.0612 -0.0440 65 PRO V CD ? ? 1 +23156 C C . PRO Q 65 0.5840 0.8919 0.8207 0.0392 -0.0582 -0.0448 65 PRO V C ? ? 1 +23157 O O . PRO Q 65 0.5973 0.8961 0.8238 0.0406 -0.0563 -0.0475 65 PRO V O ? ? 1 +23158 N N . ARG Q 66 0.5637 0.8854 0.8215 0.0355 -0.0578 -0.0433 66 ARG V N ? ? 1 +23159 C CA . ARG Q 66 0.5552 0.8820 0.8253 0.0328 -0.0552 -0.0447 66 ARG V CA ? ? 1 +23160 C CB . ARG Q 66 0.5416 0.8766 0.8244 0.0312 -0.0457 -0.0406 66 ARG V CB ? ? 1 +23161 C CG . ARG Q 66 0.5518 0.8795 0.8227 0.0339 -0.0365 -0.0378 66 ARG V CG ? ? 1 +23162 C CD . ARG Q 66 0.5691 0.8846 0.8252 0.0365 -0.0319 -0.0402 66 ARG V CD ? ? 1 +23163 N NE . ARG Q 66 0.5778 0.8876 0.8246 0.0386 -0.0221 -0.0375 66 ARG V NE ? ? 1 +23164 C CZ . ARG Q 66 0.5922 0.8923 0.8271 0.0409 -0.0157 -0.0388 66 ARG V CZ ? ? 1 +23165 N NH1 . ARG Q 66 0.6014 0.8950 0.8301 0.0419 -0.0185 -0.0428 66 ARG V NH1 ? ? 1 +23166 N NH2 . ARG Q 66 0.5968 0.8937 0.8260 0.0422 -0.0062 -0.0361 66 ARG V NH2 ? ? 1 +23167 C C . ARG Q 66 0.5440 0.8797 0.8282 0.0294 -0.0638 -0.0472 66 ARG V C ? ? 1 +23168 O O . ARG Q 66 0.5331 0.8749 0.8302 0.0266 -0.0622 -0.0477 66 ARG V O ? ? 1 +23169 N N . ASP Q 67 0.5475 0.8836 0.8288 0.0297 -0.0730 -0.0489 67 ASP V N ? ? 1 +23170 C CA . ASP Q 67 0.5382 0.8834 0.8332 0.0264 -0.0813 -0.0513 67 ASP V CA ? ? 1 +23171 C CB . ASP Q 67 0.5357 0.8866 0.8331 0.0268 -0.0883 -0.0504 67 ASP V CB ? ? 1 +23172 C CG . ASP Q 67 0.5549 0.8955 0.8335 0.0308 -0.0941 -0.0524 67 ASP V CG ? ? 1 +23173 O OD1 . ASP Q 67 0.5719 0.9002 0.8332 0.0340 -0.0899 -0.0525 67 ASP V OD1 ? ? 1 +23174 O OD2 . ASP Q 67 0.5549 0.8999 0.8358 0.0309 -0.1026 -0.0538 67 ASP V OD2 ? ? 1 +23175 C C . ASP Q 67 0.5499 0.8881 0.8379 0.0261 -0.0872 -0.0566 67 ASP V C ? ? 1 +23176 O O . ASP Q 67 0.5513 0.8921 0.8415 0.0250 -0.0963 -0.0596 67 ASP V O ? ? 1 +23177 N N . ASN Q 68 0.5579 0.8873 0.8377 0.0272 -0.0817 -0.0579 68 ASN V N ? ? 1 +23178 C CA . ASN Q 68 0.5697 0.8908 0.8414 0.0271 -0.0862 -0.0630 68 ASN V CA ? ? 1 +23179 C CB . ASN Q 68 0.5902 0.8995 0.8415 0.0309 -0.0912 -0.0655 68 ASN V CB ? ? 1 +23180 C CG . ASN Q 68 0.6025 0.9014 0.8370 0.0353 -0.0837 -0.0630 68 ASN V CG ? ? 1 +23181 O OD1 . ASN Q 68 0.6118 0.9019 0.8371 0.0368 -0.0775 -0.0638 68 ASN V OD1 ? ? 1 +23182 N ND2 . ASN Q 68 0.6043 0.9036 0.8338 0.0374 -0.0841 -0.0602 68 ASN V ND2 ? ? 1 +23183 C C . ASN Q 68 0.5711 0.8869 0.8412 0.0273 -0.0779 -0.0630 68 ASN V C ? ? 1 +23184 O O . ASN Q 68 0.5653 0.8825 0.8374 0.0284 -0.0691 -0.0594 68 ASN V O ? ? 1 +23185 N N . ILE Q 69 0.5786 0.8884 0.8453 0.0264 -0.0808 -0.0674 69 ILE V N ? ? 1 +23186 C CA . ILE Q 69 0.5802 0.8855 0.8468 0.0265 -0.0739 -0.0679 69 ILE V CA ? ? 1 +23187 C CB . ILE Q 69 0.5897 0.8890 0.8536 0.0248 -0.0797 -0.0733 69 ILE V CB ? ? 1 +23188 C CG1 . ILE Q 69 0.5760 0.8861 0.8576 0.0197 -0.0863 -0.0745 69 ILE V CG1 ? ? 1 +23189 C CG2 . ILE Q 69 0.5959 0.8876 0.8556 0.0260 -0.0726 -0.0743 69 ILE V CG2 ? ? 1 +23190 C CD1 . ILE Q 69 0.5578 0.8778 0.8575 0.0169 -0.0809 -0.0716 69 ILE V CD1 ? ? 1 +23191 C C . ILE Q 69 0.5926 0.8875 0.8433 0.0310 -0.0656 -0.0666 69 ILE V C ? ? 1 +23192 O O . ILE Q 69 0.5861 0.8828 0.8415 0.0315 -0.0568 -0.0641 69 ILE V O ? ? 1 +23193 N N . GLU Q 70 0.6104 0.8942 0.8421 0.0343 -0.0686 -0.0685 70 GLU V N ? ? 1 +23194 C CA . GLU Q 70 0.6242 0.8968 0.8388 0.0386 -0.0611 -0.0675 70 GLU V CA ? ? 1 +23195 C CB . GLU Q 70 0.6456 0.9059 0.8391 0.0418 -0.0669 -0.0702 70 GLU V CB ? ? 1 +23196 C CG . GLU Q 70 0.6591 0.9109 0.8443 0.0417 -0.0735 -0.0759 70 GLU V CG ? ? 1 +23197 C CD . GLU Q 70 0.6679 0.9114 0.8474 0.0428 -0.0669 -0.0778 70 GLU V CD ? ? 1 +23198 O OE1 . GLU Q 70 0.6707 0.9111 0.8456 0.0452 -0.0570 -0.0750 70 GLU V OE1 ? ? 1 +23199 O OE2 . GLU Q 70 0.6724 0.9129 0.8529 0.0411 -0.0715 -0.0820 70 GLU V OE2 ? ? 1 +23200 C C . GLU Q 70 0.6142 0.8923 0.8328 0.0395 -0.0529 -0.0621 70 GLU V C ? ? 1 +23201 O O . GLU Q 70 0.6189 0.8931 0.8332 0.0414 -0.0435 -0.0605 70 GLU V O ? ? 1 +23202 N N . GLY Q 71 0.6012 0.8882 0.8281 0.0381 -0.0565 -0.0595 71 GLY V N ? ? 1 +23203 C CA . GLY Q 71 0.5902 0.8830 0.8222 0.0384 -0.0496 -0.0545 71 GLY V CA ? ? 1 +23204 C C . GLY Q 71 0.5725 0.8750 0.8215 0.0361 -0.0420 -0.0521 71 GLY V C ? ? 1 +23205 O O . GLY Q 71 0.5719 0.8745 0.8203 0.0373 -0.0329 -0.0490 71 GLY V O ? ? 1 +23206 N N . LEU Q 72 0.5582 0.8687 0.8224 0.0328 -0.0457 -0.0535 72 LEU V N ? ? 1 +23207 C CA . LEU Q 72 0.5403 0.8606 0.8216 0.0307 -0.0397 -0.0513 72 LEU V CA ? ? 1 +23208 C CB . LEU Q 72 0.5250 0.8553 0.8232 0.0266 -0.0462 -0.0523 72 LEU V CB ? ? 1 +23209 C CG . LEU Q 72 0.5119 0.8527 0.8205 0.0244 -0.0512 -0.0500 72 LEU V CG ? ? 1 +23210 C CD1 . LEU Q 72 0.4985 0.8487 0.8236 0.0203 -0.0568 -0.0512 72 LEU V CD1 ? ? 1 +23211 C CD2 . LEU Q 72 0.5007 0.8485 0.8162 0.0246 -0.0443 -0.0452 72 LEU V CD2 ? ? 1 +23212 C C . LEU Q 72 0.5476 0.8611 0.8240 0.0325 -0.0328 -0.0527 72 LEU V C ? ? 1 +23213 O O . LEU Q 72 0.5387 0.8571 0.8229 0.0326 -0.0247 -0.0503 72 LEU V O ? ? 1 +23214 N N . VAL Q 73 0.5631 0.8655 0.8266 0.0339 -0.0362 -0.0570 73 VAL V N ? ? 1 +23215 C CA . VAL Q 73 0.5728 0.8671 0.8293 0.0361 -0.0300 -0.0588 73 VAL V CA ? ? 1 +23216 C CB . VAL Q 73 0.5884 0.8717 0.8331 0.0367 -0.0363 -0.0640 73 VAL V CB ? ? 1 +23217 C CG1 . VAL Q 73 0.6021 0.8751 0.8364 0.0397 -0.0298 -0.0660 73 VAL V CG1 ? ? 1 +23218 C CG2 . VAL Q 73 0.5784 0.8682 0.8367 0.0326 -0.0436 -0.0660 73 VAL V CG2 ? ? 1 +23219 C C . VAL Q 73 0.5819 0.8703 0.8267 0.0397 -0.0209 -0.0566 73 VAL V C ? ? 1 +23220 O O . VAL Q 73 0.5793 0.8682 0.8269 0.0409 -0.0125 -0.0557 73 VAL V O ? ? 1 +23221 N N . ASP Q 74 0.5922 0.8751 0.8241 0.0414 -0.0227 -0.0559 74 ASP V N ? ? 1 +23222 C CA . ASP Q 74 0.6019 0.8790 0.8223 0.0443 -0.0143 -0.0535 74 ASP V CA ? ? 1 +23223 C CB . ASP Q 74 0.6151 0.8846 0.8197 0.0461 -0.0189 -0.0533 74 ASP V CB ? ? 1 +23224 C CG . ASP Q 74 0.6269 0.8891 0.8179 0.0490 -0.0102 -0.0508 74 ASP V CG ? ? 1 +23225 O OD1 . ASP Q 74 0.6428 0.8943 0.8202 0.0518 -0.0049 -0.0525 74 ASP V OD1 ? ? 1 +23226 O OD2 . ASP Q 74 0.6214 0.8884 0.8156 0.0484 -0.0085 -0.0472 74 ASP V OD2 ? ? 1 +23227 C C . ASP Q 74 0.5857 0.8743 0.8207 0.0429 -0.0066 -0.0490 74 ASP V C ? ? 1 +23228 O O . ASP Q 74 0.5887 0.8755 0.8212 0.0446 0.0029 -0.0477 74 ASP V O ? ? 1 +23229 N N . TYR Q 75 0.5683 0.8688 0.8186 0.0398 -0.0108 -0.0468 75 TYR V N ? ? 1 +23230 C CA . TYR Q 75 0.5515 0.8637 0.8169 0.0381 -0.0047 -0.0427 75 TYR V CA ? ? 1 +23231 C CB . TYR Q 75 0.5337 0.8576 0.8139 0.0347 -0.0115 -0.0410 75 TYR V CB ? ? 1 +23232 C CG . TYR Q 75 0.5179 0.8524 0.8107 0.0332 -0.0058 -0.0366 75 TYR V CG ? ? 1 +23233 C CD1 . TYR Q 75 0.5208 0.8538 0.8071 0.0339 -0.0038 -0.0338 75 TYR V CD1 ? ? 1 +23234 C CD2 . TYR Q 75 0.5009 0.8464 0.8116 0.0311 -0.0023 -0.0353 75 TYR V CD2 ? ? 1 +23235 C CE1 . TYR Q 75 0.5072 0.8495 0.8048 0.0322 0.0015 -0.0299 75 TYR V CE1 ? ? 1 +23236 C CE2 . TYR Q 75 0.4870 0.8423 0.8093 0.0296 0.0027 -0.0315 75 TYR V CE2 ? ? 1 +23237 C CZ . TYR Q 75 0.4901 0.8438 0.8059 0.0300 0.0047 -0.0289 75 TYR V CZ ? ? 1 +23238 O OH . TYR Q 75 0.4774 0.8402 0.8041 0.0284 0.0097 -0.0253 75 TYR V OH ? ? 1 +23239 C C . TYR Q 75 0.5441 0.8619 0.8212 0.0377 0.0021 -0.0426 75 TYR V C ? ? 1 +23240 O O . TYR Q 75 0.5385 0.8614 0.8214 0.0379 0.0104 -0.0398 75 TYR V O ? ? 1 +23241 N N . MET Q 76 0.5445 0.8615 0.8254 0.0372 -0.0016 -0.0457 76 MET V N ? ? 1 +23242 C CA . MET Q 76 0.5371 0.8588 0.8289 0.0372 0.0038 -0.0459 76 MET V CA ? ? 1 +23243 C CB . MET Q 76 0.5328 0.8559 0.8320 0.0353 -0.0030 -0.0486 76 MET V CB ? ? 1 +23244 C CG . MET Q 76 0.5165 0.8510 0.8311 0.0314 -0.0093 -0.0470 76 MET V CG ? ? 1 +23245 S SD . MET Q 76 0.5115 0.8482 0.8362 0.0287 -0.0159 -0.0498 76 MET V SD ? ? 1 +23246 C CE . MET Q 76 0.5148 0.8501 0.8352 0.0264 -0.0273 -0.0516 76 MET V CE ? ? 1 +23247 C C . MET Q 76 0.5524 0.8645 0.8318 0.0409 0.0118 -0.0473 76 MET V C ? ? 1 +23248 O O . MET Q 76 0.5475 0.8633 0.8346 0.0418 0.0180 -0.0472 76 MET V O ? ? 1 +23249 N N . LYS Q 77 0.5716 0.8712 0.8315 0.0434 0.0113 -0.0489 77 LYS V N ? ? 1 +23250 C CA . LYS Q 77 0.5881 0.8778 0.8343 0.0470 0.0192 -0.0500 77 LYS V CA ? ? 1 +23251 C CB . LYS Q 77 0.6086 0.8830 0.8340 0.0493 0.0145 -0.0537 77 LYS V CB ? ? 1 +23252 C CG . LYS Q 77 0.6109 0.8820 0.8374 0.0489 0.0084 -0.0577 77 LYS V CG ? ? 1 +23253 C CD . LYS Q 77 0.6297 0.8872 0.8375 0.0504 0.0018 -0.0614 77 LYS V CD ? ? 1 +23254 C CE . LYS Q 77 0.6312 0.8860 0.8414 0.0493 -0.0043 -0.0653 77 LYS V CE ? ? 1 +23255 N NZ . LYS Q 77 0.6497 0.8917 0.8422 0.0505 -0.0116 -0.0692 77 LYS V NZ ? ? 1 +23256 C C . LYS Q 77 0.5904 0.8815 0.8336 0.0479 0.0275 -0.0465 77 LYS V C ? ? 1 +23257 O O . LYS Q 77 0.5918 0.8835 0.8360 0.0495 0.0369 -0.0459 77 LYS V O ? ? 1 +23258 N N . ASN Q 78 0.5911 0.8826 0.8307 0.0467 0.0240 -0.0444 78 ASN V N ? ? 1 +23259 C CA . ASN Q 78 0.5956 0.8862 0.8298 0.0474 0.0312 -0.0412 78 ASN V CA ? ? 1 +23260 C CB . ASN Q 78 0.6204 0.8949 0.8304 0.0508 0.0331 -0.0427 78 ASN V CB ? ? 1 +23261 C CG . ASN Q 78 0.6271 0.8994 0.8305 0.0515 0.0421 -0.0395 78 ASN V CG ? ? 1 +23262 O OD1 . ASN Q 78 0.6202 0.9013 0.8356 0.0504 0.0503 -0.0373 78 ASN V OD1 ? ? 1 +23263 N ND2 . ASN Q 78 0.6428 0.9038 0.8276 0.0532 0.0408 -0.0392 78 ASN V ND2 ? ? 1 +23264 C C . ASN Q 78 0.5841 0.8827 0.8262 0.0446 0.0269 -0.0380 78 ASN V C ? ? 1 +23265 O O . ASN Q 78 0.5933 0.8852 0.8232 0.0453 0.0223 -0.0377 78 ASN V O ? ? 1 +23266 N N . PRO Q 79 0.5650 0.8779 0.8272 0.0418 0.0284 -0.0356 79 PRO V N ? ? 1 +23267 C CA . PRO Q 79 0.5528 0.8739 0.8238 0.0391 0.0239 -0.0327 79 PRO V CA ? ? 1 +23268 C CB . PRO Q 79 0.5312 0.8672 0.8248 0.0364 0.0256 -0.0313 79 PRO V CB ? ? 1 +23269 C CG . PRO Q 79 0.5339 0.8696 0.8290 0.0381 0.0347 -0.0320 79 PRO V CG ? ? 1 +23270 C CD . PRO Q 79 0.5538 0.8754 0.8308 0.0413 0.0345 -0.0355 79 PRO V CD ? ? 1 +23271 C C . PRO Q 79 0.5603 0.8782 0.8230 0.0395 0.0292 -0.0296 79 PRO V C ? ? 1 +23272 O O . PRO Q 79 0.5675 0.8823 0.8253 0.0407 0.0387 -0.0286 79 PRO V O ? ? 1 +23273 N N . THR Q 80 0.5590 0.8775 0.8201 0.0385 0.0229 -0.0281 80 THR V N ? ? 1 +23274 C CA . THR Q 80 0.5650 0.8800 0.8179 0.0388 0.0267 -0.0249 80 THR V CA ? ? 1 +23275 C CB . THR Q 80 0.5854 0.8857 0.8159 0.0417 0.0221 -0.0261 80 THR V CB ? ? 1 +23276 O OG1 . THR Q 80 0.5819 0.8840 0.8144 0.0412 0.0106 -0.0276 80 THR V OG1 ? ? 1 +23277 C CG2 . THR Q 80 0.6039 0.8916 0.8181 0.0448 0.0252 -0.0291 80 THR V CG2 ? ? 1 +23278 C C . THR Q 80 0.5470 0.8740 0.8153 0.0357 0.0236 -0.0220 80 THR V C ? ? 1 +23279 O O . THR Q 80 0.5311 0.8676 0.8138 0.0337 0.0175 -0.0226 80 THR V O ? ? 1 +23280 N N . THR Q 81 0.5499 0.8759 0.8147 0.0353 0.0285 -0.0187 81 THR V N ? ? 1 +23281 C CA . THR Q 81 0.5384 0.8727 0.8132 0.0330 0.0250 -0.0159 81 THR V CA ? ? 1 +23282 C CB . THR Q 81 0.5424 0.8740 0.8120 0.0326 0.0330 -0.0125 81 THR V CB ? ? 1 +23283 O OG1 . THR Q 81 0.5647 0.8806 0.8114 0.0357 0.0347 -0.0129 81 THR V OG1 ? ? 1 +23284 C CG2 . THR Q 81 0.5346 0.8730 0.8149 0.0308 0.0435 -0.0113 81 THR V CG2 ? ? 1 +23285 C C . THR Q 81 0.5449 0.8752 0.8126 0.0341 0.0139 -0.0171 81 THR V C ? ? 1 +23286 O O . THR Q 81 0.5581 0.8784 0.8118 0.0366 0.0097 -0.0199 81 THR V O ? ? 1 +23287 N N . TYR Q 82 0.5365 0.8748 0.8141 0.0322 0.0091 -0.0151 82 TYR V N ? ? 1 +23288 C CA . TYR Q 82 0.5400 0.8778 0.8153 0.0329 -0.0019 -0.0164 82 TYR V CA ? ? 1 +23289 C CB . TYR Q 82 0.5237 0.8731 0.8141 0.0303 -0.0049 -0.0138 82 TYR V CB ? ? 1 +23290 C CG . TYR Q 82 0.5207 0.8740 0.8152 0.0302 -0.0162 -0.0155 82 TYR V CG ? ? 1 +23291 C CD1 . TYR Q 82 0.5144 0.8731 0.8182 0.0290 -0.0217 -0.0185 82 TYR V CD1 ? ? 1 +23292 C CD2 . TYR Q 82 0.5235 0.8753 0.8131 0.0313 -0.0213 -0.0140 82 TYR V CD2 ? ? 1 +23293 C CE1 . TYR Q 82 0.5092 0.8724 0.8179 0.0285 -0.0318 -0.0201 82 TYR V CE1 ? ? 1 +23294 C CE2 . TYR Q 82 0.5186 0.8752 0.8133 0.0312 -0.0316 -0.0157 82 TYR V CE2 ? ? 1 +23295 C CZ . TYR Q 82 0.5118 0.8742 0.8162 0.0297 -0.0367 -0.0188 82 TYR V CZ ? ? 1 +23296 O OH . TYR Q 82 0.5103 0.8780 0.8205 0.0293 -0.0466 -0.0206 82 TYR V OH ? ? 1 +23297 C C . TYR Q 82 0.5635 0.8869 0.8164 0.0364 -0.0047 -0.0168 82 TYR V C ? ? 1 +23298 O O . TYR Q 82 0.5701 0.8901 0.8171 0.0380 -0.0138 -0.0193 82 TYR V O ? ? 1 +23299 N N . ASP Q 83 0.5784 0.8935 0.8192 0.0377 0.0033 -0.0145 83 ASP V N ? ? 1 +23300 C CA . ASP Q 83 0.6028 0.9028 0.8207 0.0413 0.0021 -0.0144 83 ASP V CA ? ? 1 +23301 C CB . ASP Q 83 0.6083 0.9052 0.8211 0.0410 0.0086 -0.0102 83 ASP V CB ? ? 1 +23302 C CG . ASP Q 83 0.6059 0.9056 0.8244 0.0388 0.0210 -0.0081 83 ASP V CG ? ? 1 +23303 O OD1 . ASP Q 83 0.6016 0.9047 0.8265 0.0381 0.0252 -0.0099 83 ASP V OD1 ? ? 1 +23304 O OD2 . ASP Q 83 0.6086 0.9072 0.8255 0.0378 0.0264 -0.0047 83 ASP V OD2 ? ? 1 +23305 C C . ASP Q 83 0.6233 0.9107 0.8243 0.0440 0.0058 -0.0169 83 ASP V C ? ? 1 +23306 O O . ASP Q 83 0.6434 0.9170 0.8238 0.0472 0.0056 -0.0169 83 ASP V O ? ? 1 +23307 N N . GLY Q 84 0.6209 0.9127 0.8304 0.0429 0.0092 -0.0189 84 GLY V N ? ? 1 +23308 C CA . GLY Q 84 0.6403 0.9210 0.8354 0.0454 0.0129 -0.0215 84 GLY V CA ? ? 1 +23309 C C . GLY Q 84 0.6557 0.9282 0.8396 0.0464 0.0248 -0.0195 84 GLY V C ? ? 1 +23310 O O . GLY Q 84 0.6712 0.9340 0.8422 0.0487 0.0288 -0.0215 84 GLY V O ? ? 1 +23311 N N A GLU Q 85 0.6519 0.9289 0.8415 0.0445 0.0306 -0.0157 85 GLU V N ? ? 1 +23312 N N B GLU Q 85 0.6518 0.9287 0.8413 0.0445 0.0306 -0.0157 85 GLU V N ? ? 1 +23313 C CA A GLU Q 85 0.6684 0.9363 0.8453 0.0452 0.0413 -0.0135 85 GLU V CA ? ? 1 +23314 C CA B GLU Q 85 0.6678 0.9358 0.8448 0.0452 0.0413 -0.0134 85 GLU V CA ? ? 1 +23315 C C A GLU Q 85 0.6662 0.9385 0.8510 0.0440 0.0519 -0.0139 85 GLU V C ? ? 1 +23316 C C B GLU Q 85 0.6659 0.9383 0.8508 0.0440 0.0519 -0.0139 85 GLU V C ? ? 1 +23317 O O A GLU Q 85 0.6812 0.9442 0.8531 0.0453 0.0607 -0.0134 85 GLU V O ? ? 1 +23318 O O B GLU Q 85 0.6810 0.9440 0.8529 0.0453 0.0607 -0.0134 85 GLU V O ? ? 1 +23319 C CB A GLU Q 85 0.6645 0.9350 0.8442 0.0434 0.0434 -0.0094 85 GLU V CB ? ? 1 +23320 C CB B GLU Q 85 0.6628 0.9339 0.8434 0.0432 0.0436 -0.0093 85 GLU V CB ? ? 1 +23321 C CG A GLU Q 85 0.6844 0.9414 0.8452 0.0448 0.0522 -0.0072 85 GLU V CG ? ? 1 +23322 C CG B GLU Q 85 0.6704 0.9349 0.8399 0.0452 0.0348 -0.0084 85 GLU V CG ? ? 1 +23323 C CD A GLU Q 85 0.7101 0.9495 0.8453 0.0492 0.0493 -0.0089 85 GLU V CD ? ? 1 +23324 C CD B GLU Q 85 0.6949 0.9421 0.8395 0.0482 0.0383 -0.0069 85 GLU V CD ? ? 1 +23325 O OE1 A GLU Q 85 0.7145 0.9502 0.8429 0.0514 0.0386 -0.0099 85 GLU V OE1 ? ? 1 +23326 O OE1 B GLU Q 85 0.7094 0.9484 0.8436 0.0488 0.0479 -0.0067 85 GLU V OE1 ? ? 1 +23327 O OE2 A GLU Q 85 0.7266 0.9559 0.8482 0.0507 0.0578 -0.0092 85 GLU V OE2 ? ? 1 +23328 O OE2 B GLU Q 85 0.7015 0.9432 0.8369 0.0500 0.0316 -0.0058 85 GLU V OE2 ? ? 1 +23329 N N . GLN Q 86 0.6494 0.9358 0.8553 0.0416 0.0510 -0.0148 86 GLN V N ? ? 1 +23330 C CA . GLN Q 86 0.6493 0.9420 0.8654 0.0405 0.0604 -0.0152 86 GLN V CA ? ? 1 +23331 C CB . GLN Q 86 0.6448 0.9497 0.8777 0.0368 0.0661 -0.0119 86 GLN V CB ? ? 1 +23332 C CG . GLN Q 86 0.6482 0.9629 0.8960 0.0352 0.0755 -0.0121 86 GLN V CG ? ? 1 +23333 C CD . GLN Q 86 0.6776 0.9835 0.9131 0.0368 0.0866 -0.0125 86 GLN V CD ? ? 1 +23334 O OE1 . GLN Q 86 0.7056 1.0030 0.9283 0.0369 0.0921 -0.0104 86 GLN V OE1 ? ? 1 +23335 N NE2 . GLN Q 86 0.6809 0.9883 0.9195 0.0383 0.0905 -0.0151 86 GLN V NE2 ? ? 1 +23336 C C . GLN Q 86 0.6357 0.9352 0.8633 0.0406 0.0564 -0.0184 86 GLN V C ? ? 1 +23337 O O . GLN Q 86 0.6221 0.9285 0.8598 0.0395 0.0473 -0.0193 86 GLN V O ? ? 1 +23338 N N . GLU Q 87 0.6375 0.9345 0.8629 0.0420 0.0635 -0.0203 87 GLU V N ? ? 1 +23339 C CA . GLU Q 87 0.6284 0.9308 0.8638 0.0424 0.0615 -0.0232 87 GLU V CA ? ? 1 +23340 C CB . GLU Q 87 0.6486 0.9395 0.8690 0.0458 0.0666 -0.0260 87 GLU V CB ? ? 1 +23341 C CG . GLU Q 87 0.6730 0.9475 0.8695 0.0487 0.0623 -0.0273 87 GLU V CG ? ? 1 +23342 C CD . GLU Q 87 0.6966 0.9588 0.8769 0.0522 0.0674 -0.0301 87 GLU V CD ? ? 1 +23343 O OE1 . GLU Q 87 0.7052 0.9679 0.8863 0.0526 0.0782 -0.0296 87 GLU V OE1 ? ? 1 +23344 O OE2 . GLU Q 87 0.7107 0.9627 0.8773 0.0545 0.0605 -0.0330 87 GLU V OE2 ? ? 1 +23345 C C . GLU Q 87 0.6044 0.9225 0.8625 0.0397 0.0663 -0.0219 87 GLU V C ? ? 1 +23346 O O . GLU Q 87 0.6057 0.9269 0.8672 0.0389 0.0757 -0.0201 87 GLU V O ? ? 1 +23347 N N . ILE Q 88 0.5835 0.9114 0.8571 0.0383 0.0597 -0.0230 88 ILE V N ? ? 1 +23348 C CA . ILE Q 88 0.5595 0.9028 0.8550 0.0357 0.0624 -0.0215 88 ILE V CA ? ? 1 +23349 C CB . ILE Q 88 0.5422 0.8943 0.8492 0.0327 0.0546 -0.0194 88 ILE V CB ? ? 1 +23350 C CG1 . ILE Q 88 0.5400 0.8910 0.8471 0.0329 0.0434 -0.0217 88 ILE V CG1 ? ? 1 +23351 C CG2 . ILE Q 88 0.5467 0.8944 0.8448 0.0320 0.0554 -0.0166 88 ILE V CG2 ? ? 1 +23352 C CD1 . ILE Q 88 0.5233 0.8837 0.8429 0.0300 0.0358 -0.0199 88 ILE V CD1 ? ? 1 +23353 C C . ILE Q 88 0.5514 0.8996 0.8569 0.0366 0.0629 -0.0241 88 ILE V C ? ? 1 +23354 O O . ILE Q 88 0.5341 0.8948 0.8579 0.0348 0.0621 -0.0234 88 ILE V O ? ? 1 +23355 N N . ALA Q 89 0.5651 0.9031 0.8579 0.0398 0.0644 -0.0270 89 ALA V N ? ? 1 +23356 C CA . ALA Q 89 0.5621 0.9028 0.8622 0.0411 0.0649 -0.0296 89 ALA V CA ? ? 1 +23357 C CB . ALA Q 89 0.5823 0.9094 0.8646 0.0448 0.0677 -0.0326 89 ALA V CB ? ? 1 +23358 C C . ALA Q 89 0.5505 0.9038 0.8680 0.0404 0.0724 -0.0285 89 ALA V C ? ? 1 +23359 O O . ALA Q 89 0.5411 0.9009 0.8706 0.0406 0.0707 -0.0298 89 ALA V O ? ? 1 +23360 N N . GLU Q 90 0.5539 0.9100 0.8723 0.0396 0.0807 -0.0262 90 GLU V N ? ? 1 +23361 C CA . GLU Q 90 0.5441 0.9124 0.8789 0.0388 0.0882 -0.0253 90 GLU V CA ? ? 1 +23362 C CB . GLU Q 90 0.5583 0.9264 0.8895 0.0381 0.0980 -0.0233 90 GLU V CB ? ? 1 +23363 C CG . GLU Q 90 0.5861 0.9439 0.9028 0.0412 0.1060 -0.0252 90 GLU V CG ? ? 1 +23364 C CD . GLU Q 90 0.5964 0.9602 0.9192 0.0406 0.1176 -0.0242 90 GLU V CD ? ? 1 +23365 O OE1 . GLU Q 90 0.5920 0.9682 0.9322 0.0405 0.1207 -0.0247 90 GLU V OE1 ? ? 1 +23366 O OE2 . GLU Q 90 0.6165 0.9725 0.9266 0.0404 0.1237 -0.0231 90 GLU V OE2 ? ? 1 +23367 C C . GLU Q 90 0.5151 0.8979 0.8703 0.0358 0.0837 -0.0236 90 GLU V C ? ? 1 +23368 O O . GLU Q 90 0.5035 0.8969 0.8737 0.0357 0.0877 -0.0235 90 GLU V O ? ? 1 +23369 N N . VAL Q 91 0.5017 0.8849 0.8570 0.0335 0.0756 -0.0221 91 VAL V N ? ? 1 +23370 C CA . VAL Q 91 0.4771 0.8731 0.8504 0.0306 0.0710 -0.0204 91 VAL V CA ? ? 1 +23371 C CB . VAL Q 91 0.4712 0.8720 0.8480 0.0277 0.0731 -0.0170 91 VAL V CB ? ? 1 +23372 C CG1 . VAL Q 91 0.4736 0.8779 0.8533 0.0275 0.0841 -0.0161 91 VAL V CG1 ? ? 1 +23373 C CG2 . VAL Q 91 0.4813 0.8716 0.8422 0.0275 0.0688 -0.0161 91 VAL V CG2 ? ? 1 +23374 C C . VAL Q 91 0.4668 0.8625 0.8421 0.0299 0.0602 -0.0213 91 VAL V C ? ? 1 +23375 O O . VAL Q 91 0.4498 0.8556 0.8393 0.0275 0.0562 -0.0199 91 VAL V O ? ? 1 +23376 N N . HIS Q 92 0.4758 0.8602 0.8372 0.0319 0.0558 -0.0238 92 HIS V N ? ? 1 +23377 C CA . HIS Q 92 0.4686 0.8524 0.8319 0.0312 0.0460 -0.0253 92 HIS V CA ? ? 1 +23378 C CB . HIS Q 92 0.4726 0.8496 0.8247 0.0304 0.0389 -0.0250 92 HIS V CB ? ? 1 +23379 C CG . HIS Q 92 0.4636 0.8423 0.8204 0.0289 0.0288 -0.0263 92 HIS V CG ? ? 1 +23380 N ND1 . HIS Q 92 0.4701 0.8418 0.8207 0.0303 0.0244 -0.0297 92 HIS V ND1 ? ? 1 +23381 C CE1 . HIS Q 92 0.4609 0.8368 0.8187 0.0280 0.0160 -0.0301 92 HIS V CE1 ? ? 1 +23382 N NE2 . HIS Q 92 0.4464 0.8315 0.8144 0.0255 0.0147 -0.0271 92 HIS V NE2 ? ? 1 +23383 C CD2 . HIS Q 92 0.4487 0.8355 0.8160 0.0261 0.0227 -0.0247 92 HIS V CD2 ? ? 1 +23384 C C . HIS Q 92 0.4785 0.8550 0.8356 0.0338 0.0453 -0.0288 92 HIS V C ? ? 1 +23385 O O . HIS Q 92 0.4939 0.8596 0.8360 0.0365 0.0487 -0.0305 92 HIS V O ? ? 1 +23386 N N . PRO Q 93 0.4715 0.8528 0.8392 0.0332 0.0408 -0.0301 93 PRO V N ? ? 1 +23387 C CA . PRO Q 93 0.4829 0.8568 0.8449 0.0357 0.0401 -0.0335 93 PRO V CA ? ? 1 +23388 C CB . PRO Q 93 0.4683 0.8499 0.8449 0.0338 0.0344 -0.0337 93 PRO V CB ? ? 1 +23389 C CG . PRO Q 93 0.4506 0.8450 0.8423 0.0311 0.0348 -0.0303 93 PRO V CG ? ? 1 +23390 C CD . PRO Q 93 0.4535 0.8466 0.8383 0.0302 0.0363 -0.0283 93 PRO V CD ? ? 1 +23391 C C . PRO Q 93 0.5037 0.8637 0.8470 0.0370 0.0356 -0.0361 93 PRO V C ? ? 1 +23392 O O . PRO Q 93 0.5054 0.8633 0.8447 0.0353 0.0284 -0.0360 93 PRO V O ? ? 1 +23393 N N . SER Q 94 0.5214 0.8718 0.8532 0.0404 0.0400 -0.0386 94 SER V N ? ? 1 +23394 C CA . SER Q 94 0.5415 0.8777 0.8542 0.0422 0.0366 -0.0414 94 SER V CA ? ? 1 +23395 C CB . SER Q 94 0.5522 0.8821 0.8511 0.0429 0.0395 -0.0400 94 SER V CB ? ? 1 +23396 O OG . SER Q 94 0.5575 0.8864 0.8531 0.0451 0.0501 -0.0392 94 SER V OG ? ? 1 +23397 C C . SER Q 94 0.5559 0.8845 0.8619 0.0456 0.0410 -0.0444 94 SER V C ? ? 1 +23398 O O . SER Q 94 0.5502 0.8848 0.8655 0.0469 0.0475 -0.0440 94 SER V O ? ? 1 +23399 N N . LEU Q 95 0.5756 0.8911 0.8655 0.0473 0.0371 -0.0477 95 LEU V N ? ? 1 +23400 C CA . LEU Q 95 0.5915 0.8979 0.8723 0.0509 0.0413 -0.0508 95 LEU V CA ? ? 1 +23401 C CB . LEU Q 95 0.6081 0.9010 0.8729 0.0517 0.0343 -0.0546 95 LEU V CB ? ? 1 +23402 C CG . LEU Q 95 0.6017 0.8966 0.8738 0.0488 0.0244 -0.0561 95 LEU V CG ? ? 1 +23403 C CD1 . LEU Q 95 0.6196 0.9004 0.8755 0.0500 0.0188 -0.0604 95 LEU V CD1 ? ? 1 +23404 C CD2 . LEU Q 95 0.5892 0.8926 0.8780 0.0482 0.0258 -0.0559 95 LEU V CD2 ? ? 1 +23405 C C . LEU Q 95 0.6031 0.9060 0.8754 0.0538 0.0516 -0.0500 95 LEU V C ? ? 1 +23406 O O . LEU Q 95 0.6082 0.9098 0.8806 0.0566 0.0583 -0.0513 95 LEU V O ? ? 1 +23407 N N . ARG Q 96 0.6088 0.9103 0.8740 0.0530 0.0529 -0.0478 96 ARG V N ? ? 1 +23408 C CA . ARG Q 96 0.6199 0.9185 0.8773 0.0550 0.0629 -0.0466 96 ARG V CA ? ? 1 +23409 C CB . ARG Q 96 0.6290 0.9235 0.8760 0.0538 0.0615 -0.0444 96 ARG V CB ? ? 1 +23410 C CG . ARG Q 96 0.6468 0.9353 0.8821 0.0558 0.0713 -0.0434 96 ARG V CG ? ? 1 +23411 C CD . ARG Q 96 0.6596 0.9420 0.8825 0.0549 0.0691 -0.0413 96 ARG V CD ? ? 1 +23412 N NE . ARG Q 96 0.6784 0.9550 0.8904 0.0565 0.0795 -0.0400 96 ARG V NE ? ? 1 +23413 C CZ . ARG Q 96 0.6903 0.9616 0.8915 0.0560 0.0809 -0.0377 96 ARG V CZ ? ? 1 +23414 N NH1 . ARG Q 96 0.6850 0.9564 0.8849 0.0541 0.0726 -0.0363 96 ARG V NH1 ? ? 1 +23415 N NH2 . ARG Q 96 0.7067 0.9722 0.8979 0.0574 0.0913 -0.0368 96 ARG V NH2 ? ? 1 +23416 C C . ARG Q 96 0.6035 0.9154 0.8783 0.0545 0.0710 -0.0444 96 ARG V C ? ? 1 +23417 O O . ARG Q 96 0.6108 0.9214 0.8825 0.0568 0.0805 -0.0445 96 ARG V O ? ? 1 +23418 N N . SER Q 97 0.5812 0.9061 0.8746 0.0515 0.0672 -0.0425 97 SER V N ? ? 1 +23419 C CA . SER Q 97 0.5638 0.9023 0.8750 0.0508 0.0734 -0.0404 97 SER V CA ? ? 1 +23420 C CB . SER Q 97 0.5499 0.8978 0.8703 0.0470 0.0721 -0.0367 97 SER V CB ? ? 1 +23421 O OG . SER Q 97 0.5402 0.8910 0.8661 0.0443 0.0621 -0.0362 97 SER V OG ? ? 1 +23422 C C . SER Q 97 0.5512 0.8969 0.8769 0.0511 0.0708 -0.0416 97 SER V C ? ? 1 +23423 O O . SER Q 97 0.5331 0.8918 0.8763 0.0493 0.0714 -0.0396 97 SER V O ? ? 1 +23424 N N . ALA Q 98 0.5616 0.8983 0.8796 0.0535 0.0682 -0.0449 98 ALA V N ? ? 1 +23425 C CA . ALA Q 98 0.5547 0.8959 0.8841 0.0541 0.0658 -0.0463 98 ALA V CA ? ? 1 +23426 C CB . ALA Q 98 0.5681 0.8963 0.8848 0.0559 0.0609 -0.0500 98 ALA V CB ? ? 1 +23427 C C . ALA Q 98 0.5535 0.9021 0.8929 0.0569 0.0746 -0.0462 98 ALA V C ? ? 1 +23428 O O . ALA Q 98 0.5449 0.9004 0.8972 0.0573 0.0735 -0.0465 98 ALA V O ? ? 1 +23429 N N . ASP Q 99 0.5646 0.9116 0.8980 0.0588 0.0835 -0.0460 99 ASP V N ? ? 1 +23430 C CA . ASP Q 99 0.5621 0.9178 0.9063 0.0611 0.0922 -0.0458 99 ASP V CA ? ? 1 +23431 C CB . ASP Q 99 0.5788 0.9296 0.9123 0.0633 0.1019 -0.0462 99 ASP V CB ? ? 1 +23432 C CG . ASP Q 99 0.5845 0.9345 0.9117 0.0604 0.1036 -0.0436 99 ASP V CG ? ? 1 +23433 O OD1 . ASP Q 99 0.5821 0.9295 0.9057 0.0574 0.0957 -0.0424 99 ASP V OD1 ? ? 1 +23434 O OD2 . ASP Q 99 0.5932 0.9449 0.9190 0.0611 0.1128 -0.0429 99 ASP V OD2 ? ? 1 +23435 C C . ASP Q 99 0.5404 0.9126 0.9049 0.0583 0.0924 -0.0428 99 ASP V C ? ? 1 +23436 O O . ASP Q 99 0.5345 0.9155 0.9126 0.0598 0.0946 -0.0430 99 ASP V O ? ? 1 +23437 N N . ILE Q 100 0.5297 0.9057 0.8959 0.0543 0.0899 -0.0400 100 ILE V N ? ? 1 +23438 C CA . ILE Q 100 0.5079 0.8989 0.8922 0.0514 0.0904 -0.0370 100 ILE V CA ? ? 1 +23439 C CB . ILE Q 100 0.5084 0.9015 0.8900 0.0491 0.0956 -0.0346 100 ILE V CB ? ? 1 +23440 C CG1 . ILE Q 100 0.5146 0.8980 0.8821 0.0470 0.0899 -0.0337 100 ILE V CG1 ? ? 1 +23441 C CG2 . ILE Q 100 0.5208 0.9112 0.8963 0.0519 0.1065 -0.0357 100 ILE V CG2 ? ? 1 +23442 C CD1 . ILE Q 100 0.5158 0.8998 0.8798 0.0449 0.0938 -0.0313 100 ILE V CD1 ? ? 1 +23443 C C . ILE Q 100 0.4920 0.8880 0.8855 0.0483 0.0808 -0.0357 100 ILE V C ? ? 1 +23444 O O . ILE Q 100 0.4759 0.8842 0.8849 0.0462 0.0805 -0.0336 100 ILE V O ? ? 1 +23445 N N . PHE Q 101 0.4963 0.8826 0.8799 0.0480 0.0732 -0.0372 101 PHE V N ? ? 1 +23446 C CA . PHE Q 101 0.4827 0.8724 0.8741 0.0453 0.0641 -0.0367 101 PHE V CA ? ? 1 +23447 C CB . PHE Q 101 0.4807 0.8658 0.8641 0.0423 0.0574 -0.0357 101 PHE V CB ? ? 1 +23448 C CG . PHE Q 101 0.4694 0.8616 0.8572 0.0396 0.0595 -0.0325 101 PHE V CG ? ? 1 +23449 C CD1 . PHE Q 101 0.4504 0.8549 0.8543 0.0367 0.0572 -0.0299 101 PHE V CD1 ? ? 1 +23450 C CD2 . PHE Q 101 0.4790 0.8648 0.8541 0.0401 0.0638 -0.0319 101 PHE V CD2 ? ? 1 +23451 C CE1 . PHE Q 101 0.4429 0.8534 0.8504 0.0342 0.0591 -0.0270 101 PHE V CE1 ? ? 1 +23452 C CE2 . PHE Q 101 0.4714 0.8630 0.8502 0.0375 0.0659 -0.0289 101 PHE V CE2 ? ? 1 +23453 C CZ . PHE Q 101 0.4536 0.8574 0.8485 0.0346 0.0635 -0.0265 101 PHE V CZ ? ? 1 +23454 C C . PHE Q 101 0.4914 0.8741 0.8794 0.0477 0.0608 -0.0397 101 PHE V C ? ? 1 +23455 O O . PHE Q 101 0.5027 0.8743 0.8781 0.0477 0.0557 -0.0417 101 PHE V O ? ? 1 +23456 N N . PRO Q 102 0.4890 0.8772 0.8875 0.0499 0.0636 -0.0404 102 PRO V N ? ? 1 +23457 C CA . PRO Q 102 0.5008 0.8806 0.8940 0.0530 0.0624 -0.0435 102 PRO V CA ? ? 1 +23458 C CB . PRO Q 102 0.4907 0.8805 0.8989 0.0553 0.0665 -0.0431 102 PRO V CB ? ? 1 +23459 C CG . PRO Q 102 0.4810 0.8824 0.8984 0.0544 0.0724 -0.0405 102 PRO V CG ? ? 1 +23460 C CD . PRO Q 102 0.4753 0.8776 0.8907 0.0499 0.0682 -0.0382 102 PRO V CD ? ? 1 +23461 C C . PRO Q 102 0.5041 0.8775 0.8940 0.0509 0.0530 -0.0447 102 PRO V C ? ? 1 +23462 O O . PRO Q 102 0.5169 0.8795 0.8968 0.0529 0.0513 -0.0477 102 PRO V O ? ? 1 +23463 N N . LYS Q 103 0.4943 0.8746 0.8929 0.0467 0.0470 -0.0425 103 LYS V N ? ? 1 +23464 C CA . LYS Q 103 0.4960 0.8718 0.8936 0.0443 0.0383 -0.0436 103 LYS V CA ? ? 1 +23465 C CB . LYS Q 103 0.4781 0.8644 0.8885 0.0399 0.0334 -0.0407 103 LYS V CB ? ? 1 +23466 C CG . LYS Q 103 0.4631 0.8601 0.8900 0.0402 0.0350 -0.0391 103 LYS V CG ? ? 1 +23467 C CD . LYS Q 103 0.4478 0.8524 0.8858 0.0361 0.0289 -0.0370 103 LYS V CD ? ? 1 +23468 C CE . LYS Q 103 0.4371 0.8501 0.8801 0.0333 0.0287 -0.0341 103 LYS V CE ? ? 1 +23469 N NZ . LYS Q 103 0.4223 0.8433 0.8773 0.0296 0.0232 -0.0321 103 LYS V NZ ? ? 1 +23470 C C . LYS Q 103 0.5153 0.8783 0.8959 0.0438 0.0341 -0.0460 103 LYS V C ? ? 1 +23471 O O . LYS Q 103 0.5219 0.8786 0.8990 0.0424 0.0277 -0.0481 103 LYS V O ? ? 1 +23472 N N . MET Q 104 0.5277 0.8867 0.8976 0.0448 0.0377 -0.0459 104 MET V N ? ? 1 +23473 C CA . MET Q 104 0.5462 0.8928 0.8987 0.0449 0.0341 -0.0482 104 MET V CA ? ? 1 +23474 C CB . MET Q 104 0.5476 0.8940 0.8928 0.0447 0.0373 -0.0463 104 MET V CB ? ? 1 +23475 C CG . MET Q 104 0.5310 0.8886 0.8876 0.0410 0.0348 -0.0428 104 MET V CG ? ? 1 +23476 S SD . MET Q 104 0.5218 0.8806 0.8820 0.0367 0.0230 -0.0430 104 MET V SD ? ? 1 +23477 C CE . MET Q 104 0.5409 0.8854 0.8798 0.0376 0.0189 -0.0456 104 MET V CE ? ? 1 +23478 C C . MET Q 104 0.5701 0.9041 0.9094 0.0487 0.0367 -0.0518 104 MET V C ? ? 1 +23479 O O . MET Q 104 0.5848 0.9074 0.9094 0.0489 0.0327 -0.0543 104 MET V O ? ? 1 +23480 N N . ARG Q 105 0.5772 0.9133 0.9216 0.0520 0.0430 -0.0523 105 ARG V N ? ? 1 +23481 C CA . ARG Q 105 0.5999 0.9246 0.9323 0.0562 0.0467 -0.0556 105 ARG V CA ? ? 1 +23482 C CB . ARG Q 105 0.6038 0.9347 0.9458 0.0598 0.0544 -0.0553 105 ARG V CB ? ? 1 +23483 C CG . ARG Q 105 0.6100 0.9476 0.9543 0.0613 0.0631 -0.0534 105 ARG V CG ? ? 1 +23484 C CD . ARG Q 105 0.6131 0.9588 0.9690 0.0645 0.0700 -0.0531 105 ARG V CD ? ? 1 +23485 N NE . ARG Q 105 0.6183 0.9731 0.9799 0.0647 0.0776 -0.0509 105 ARG V NE ? ? 1 +23486 C CZ . ARG Q 105 0.6233 0.9895 0.9989 0.0663 0.0833 -0.0498 105 ARG V CZ ? ? 1 +23487 N NH1 . ARG Q 105 0.6260 0.9950 1.0101 0.0690 0.0831 -0.0509 105 ARG V NH1 ? ? 1 +23488 N NH2 . ARG Q 105 0.6253 1.0004 1.0067 0.0653 0.0893 -0.0476 105 ARG V NH2 ? ? 1 +23489 C C . ARG Q 105 0.6065 0.9207 0.9319 0.0559 0.0398 -0.0590 105 ARG V C ? ? 1 +23490 O O . ARG Q 105 0.6242 0.9256 0.9335 0.0578 0.0394 -0.0620 105 ARG V O ? ? 1 +23491 N N . ASN Q 106 0.5956 0.9150 0.9329 0.0534 0.0346 -0.0585 106 ASN V N ? ? 1 +23492 C CA . ASN Q 106 0.6038 0.9139 0.9360 0.0525 0.0282 -0.0615 106 ASN V CA ? ? 1 +23493 C CB . ASN Q 106 0.5997 0.9143 0.9446 0.0529 0.0283 -0.0612 106 ASN V CB ? ? 1 +23494 C CG . ASN Q 106 0.5845 0.9140 0.9472 0.0503 0.0279 -0.0573 106 ASN V CG ? ? 1 +23495 O OD1 . ASN Q 106 0.5790 0.9138 0.9457 0.0461 0.0228 -0.0557 106 ASN V OD1 ? ? 1 +23496 N ND2 . ASN Q 106 0.5773 0.9143 0.9510 0.0531 0.0334 -0.0559 106 ASN V ND2 ? ? 1 +23497 C C . ASN Q 106 0.5949 0.9037 0.9249 0.0477 0.0192 -0.0618 106 ASN V C ? ? 1 +23498 O O . ASN Q 106 0.5918 0.8990 0.9256 0.0450 0.0130 -0.0630 106 ASN V O ? ? 1 +23499 N N . LEU Q 107 0.5903 0.8995 0.9141 0.0466 0.0184 -0.0608 107 LEU V N ? ? 1 +23500 C CA . LEU Q 107 0.5874 0.8938 0.9062 0.0430 0.0100 -0.0617 107 LEU V CA ? ? 1 +23501 C CB . LEU Q 107 0.5751 0.8914 0.8999 0.0406 0.0091 -0.0581 107 LEU V CB ? ? 1 +23502 C CG . LEU Q 107 0.5538 0.8849 0.8980 0.0380 0.0093 -0.0545 107 LEU V CG ? ? 1 +23503 C CD1 . LEU Q 107 0.5456 0.8842 0.8936 0.0352 0.0065 -0.0518 107 LEU V CD1 ? ? 1 +23504 C CD2 . LEU Q 107 0.5476 0.8801 0.9006 0.0353 0.0037 -0.0555 107 LEU V CD2 ? ? 1 +23505 C C . LEU Q 107 0.6034 0.8951 0.9021 0.0451 0.0088 -0.0653 107 LEU V C ? ? 1 +23506 O O . LEU Q 107 0.6144 0.9015 0.9029 0.0486 0.0149 -0.0653 107 LEU V O ? ? 1 +23507 N N . THR Q 108 0.6049 0.8890 0.8978 0.0430 0.0011 -0.0685 108 THR V N ? ? 1 +23508 C CA . THR Q 108 0.6201 0.8900 0.8938 0.0446 -0.0016 -0.0723 108 THR V CA ? ? 1 +23509 C CB . THR Q 108 0.6300 0.8901 0.8993 0.0442 -0.0057 -0.0765 108 THR V CB ? ? 1 +23510 O OG1 . THR Q 108 0.6210 0.8861 0.9001 0.0391 -0.0139 -0.0768 108 THR V OG1 ? ? 1 +23511 C CG2 . THR Q 108 0.6290 0.8883 0.9031 0.0472 0.0009 -0.0766 108 THR V CG2 ? ? 1 +23512 C C . THR Q 108 0.6155 0.8859 0.8842 0.0420 -0.0084 -0.0722 108 THR V C ? ? 1 +23513 O O . THR Q 108 0.5993 0.8806 0.8800 0.0388 -0.0115 -0.0694 108 THR V O ? ? 1 +23514 N N . GLU Q 109 0.6303 0.8885 0.8809 0.0438 -0.0107 -0.0752 109 GLU V N ? ? 1 +23515 C CA . GLU Q 109 0.6314 0.8884 0.8753 0.0420 -0.0179 -0.0757 109 GLU V CA ? ? 1 +23516 C CB . GLU Q 109 0.6535 0.8949 0.8756 0.0447 -0.0198 -0.0797 109 GLU V CB ? ? 1 +23517 C CG . GLU Q 109 0.6587 0.8981 0.8718 0.0439 -0.0266 -0.0801 109 GLU V CG ? ? 1 +23518 C CD . GLU Q 109 0.6574 0.8993 0.8659 0.0461 -0.0214 -0.0764 109 GLU V CD ? ? 1 +23519 O OE1 . GLU Q 109 0.6599 0.9011 0.8666 0.0490 -0.0119 -0.0745 109 GLU V OE1 ? ? 1 +23520 O OE2 . GLU Q 109 0.6548 0.8998 0.8623 0.0447 -0.0268 -0.0753 109 GLU V OE2 ? ? 1 +23521 C C . GLU Q 109 0.6195 0.8827 0.8745 0.0370 -0.0272 -0.0765 109 GLU V C ? ? 1 +23522 O O . GLU Q 109 0.6116 0.8823 0.8718 0.0346 -0.0317 -0.0747 109 GLU V O ? ? 1 +23523 N N . LYS Q 110 0.6184 0.8786 0.8772 0.0353 -0.0300 -0.0792 110 LYS V N ? ? 1 +23524 C CA . LYS Q 110 0.6092 0.8741 0.8777 0.0302 -0.0386 -0.0805 110 LYS V CA ? ? 1 +23525 C CB . LYS Q 110 0.6179 0.8742 0.8844 0.0291 -0.0410 -0.0846 110 LYS V CB ? ? 1 +23526 C CG . LYS Q 110 0.6046 0.8679 0.8875 0.0267 -0.0394 -0.0831 110 LYS V CG ? ? 1 +23527 C CD . LYS Q 110 0.6162 0.8687 0.8945 0.0267 -0.0400 -0.0869 110 LYS V CD ? ? 1 +23528 C CE . LYS Q 110 0.6047 0.8633 0.8984 0.0225 -0.0423 -0.0862 110 LYS V CE ? ? 1 +23529 N NZ . LYS Q 110 0.6137 0.8630 0.9045 0.0240 -0.0393 -0.0883 110 LYS V NZ ? ? 1 +23530 C C . LYS Q 110 0.5855 0.8660 0.8739 0.0273 -0.0377 -0.0761 110 LYS V C ? ? 1 +23531 O O . LYS Q 110 0.5769 0.8646 0.8735 0.0235 -0.0443 -0.0758 110 LYS V O ? ? 1 +23532 N N . ASP Q 111 0.5759 0.8618 0.8721 0.0294 -0.0296 -0.0730 111 ASP V N ? ? 1 +23533 C CA . ASP Q 111 0.5545 0.8548 0.8687 0.0272 -0.0278 -0.0687 111 ASP V CA ? ? 1 +23534 C CB . ASP Q 111 0.5509 0.8544 0.8711 0.0303 -0.0187 -0.0664 111 ASP V CB ? ? 1 +23535 C CG . ASP Q 111 0.5574 0.8550 0.8785 0.0312 -0.0172 -0.0686 111 ASP V CG ? ? 1 +23536 O OD1 . ASP Q 111 0.5618 0.8554 0.8835 0.0282 -0.0233 -0.0712 111 ASP V OD1 ? ? 1 +23537 O OD2 . ASP Q 111 0.5602 0.8568 0.8811 0.0349 -0.0097 -0.0678 111 ASP V OD2 ? ? 1 +23538 C C . ASP Q 111 0.5444 0.8525 0.8606 0.0265 -0.0290 -0.0658 111 ASP V C ? ? 1 +23539 O O . ASP Q 111 0.5287 0.8474 0.8579 0.0231 -0.0324 -0.0636 111 ASP V O ? ? 1 +23540 N N . LEU Q 112 0.5536 0.8558 0.8563 0.0297 -0.0260 -0.0657 112 LEU V N ? ? 1 +23541 C CA . LEU Q 112 0.5482 0.8557 0.8501 0.0295 -0.0270 -0.0630 112 LEU V CA ? ? 1 +23542 C CB . LEU Q 112 0.5635 0.8620 0.8485 0.0337 -0.0219 -0.0631 112 LEU V CB ? ? 1 +23543 C CG . LEU Q 112 0.5651 0.8630 0.8497 0.0371 -0.0112 -0.0615 112 LEU V CG ? ? 1 +23544 C CD1 . LEU Q 112 0.5782 0.8691 0.8476 0.0405 -0.0062 -0.0608 112 LEU V CD1 ? ? 1 +23545 C CD2 . LEU Q 112 0.5454 0.8573 0.8485 0.0357 -0.0067 -0.0575 112 LEU V CD2 ? ? 1 +23546 C C . LEU Q 112 0.5476 0.8560 0.8490 0.0264 -0.0370 -0.0647 112 LEU V C ? ? 1 +23547 O O . LEU Q 112 0.5350 0.8530 0.8452 0.0244 -0.0395 -0.0621 112 LEU V O ? ? 1 +23548 N N . VAL Q 113 0.5603 0.8591 0.8521 0.0260 -0.0428 -0.0692 113 VAL V N ? ? 1 +23549 C CA . VAL Q 113 0.5611 0.8608 0.8529 0.0230 -0.0527 -0.0715 113 VAL V CA ? ? 1 +23550 C CB . VAL Q 113 0.5796 0.8667 0.8581 0.0232 -0.0582 -0.0770 113 VAL V CB ? ? 1 +23551 C CG1 . VAL Q 113 0.5802 0.8696 0.8602 0.0198 -0.0689 -0.0795 113 VAL V CG1 ? ? 1 +23552 C CG2 . VAL Q 113 0.5986 0.8729 0.8567 0.0280 -0.0548 -0.0783 113 VAL V CG2 ? ? 1 +23553 C C . VAL Q 113 0.5424 0.8544 0.8539 0.0183 -0.0560 -0.0701 113 VAL V C ? ? 1 +23554 O O . VAL Q 113 0.5343 0.8542 0.8524 0.0160 -0.0614 -0.0691 113 VAL V O ? ? 1 +23555 N N . ALA Q 114 0.5360 0.8494 0.8563 0.0172 -0.0527 -0.0700 114 ALA V N ? ? 1 +23556 C CA . ALA Q 114 0.5202 0.8439 0.8581 0.0128 -0.0553 -0.0687 114 ALA V CA ? ? 1 +23557 C CB . ALA Q 114 0.5188 0.8401 0.8619 0.0126 -0.0513 -0.0692 114 ALA V CB ? ? 1 +23558 C C . ALA Q 114 0.5033 0.8402 0.8535 0.0122 -0.0529 -0.0639 114 ALA V C ? ? 1 +23559 O O . ALA Q 114 0.4934 0.8389 0.8537 0.0087 -0.0581 -0.0631 114 ALA V O ? ? 1 +23560 N N . ILE Q 115 0.5012 0.8395 0.8506 0.0154 -0.0450 -0.0608 115 ILE V N ? ? 1 +23561 C CA . ILE Q 115 0.4854 0.8353 0.8453 0.0150 -0.0420 -0.0562 115 ILE V CA ? ? 1 +23562 C CB . ILE Q 115 0.4846 0.8344 0.8424 0.0187 -0.0324 -0.0536 115 ILE V CB ? ? 1 +23563 C CG1 . ILE Q 115 0.4820 0.8317 0.8461 0.0195 -0.0274 -0.0537 115 ILE V CG1 ? ? 1 +23564 C CG2 . ILE Q 115 0.4708 0.8313 0.8373 0.0183 -0.0297 -0.0492 115 ILE V CG2 ? ? 1 +23565 C CD1 . ILE Q 115 0.4856 0.8340 0.8461 0.0237 -0.0178 -0.0520 115 ILE V CD1 ? ? 1 +23566 C C . ILE Q 115 0.4852 0.8375 0.8415 0.0144 -0.0472 -0.0557 115 ILE V C ? ? 1 +23567 O O . ILE Q 115 0.4709 0.8337 0.8389 0.0119 -0.0497 -0.0534 115 ILE V O ? ? 1 +23568 N N . ALA Q 116 0.5019 0.8442 0.8414 0.0171 -0.0486 -0.0579 116 ALA V N ? ? 1 +23569 C CA . ALA Q 116 0.5061 0.8487 0.8397 0.0173 -0.0540 -0.0578 116 ALA V CA ? ? 1 +23570 C CB . ALA Q 116 0.5266 0.8557 0.8396 0.0208 -0.0546 -0.0605 116 ALA V CB ? ? 1 +23571 C C . ALA Q 116 0.5015 0.8496 0.8433 0.0133 -0.0633 -0.0598 116 ALA V C ? ? 1 +23572 O O . ALA Q 116 0.4929 0.8489 0.8409 0.0121 -0.0668 -0.0580 116 ALA V O ? ? 1 +23573 N N . GLY Q 117 0.5087 0.8524 0.8505 0.0114 -0.0671 -0.0636 117 GLY V N ? ? 1 +23574 C CA . GLY Q 117 0.5054 0.8542 0.8561 0.0071 -0.0753 -0.0659 117 GLY V CA ? ? 1 +23575 C C . GLY Q 117 0.4863 0.8492 0.8561 0.0038 -0.0750 -0.0625 117 GLY V C ? ? 1 +23576 O O . GLY Q 117 0.4806 0.8509 0.8571 0.0015 -0.0809 -0.0625 117 GLY V O ? ? 1 +23577 N N . HIS Q 118 0.4777 0.8441 0.8559 0.0037 -0.0680 -0.0597 118 HIS V N ? ? 1 +23578 C CA . HIS Q 118 0.4599 0.8389 0.8557 0.0008 -0.0670 -0.0564 118 HIS V CA ? ? 1 +23579 C CB . HIS Q 118 0.4538 0.8342 0.8562 0.0016 -0.0594 -0.0541 118 HIS V CB ? ? 1 +23580 C CG . HIS Q 118 0.4366 0.8295 0.8560 -0.0010 -0.0579 -0.0505 118 HIS V CG ? ? 1 +23581 N ND1 . HIS Q 118 0.4294 0.8284 0.8601 -0.0054 -0.0629 -0.0512 118 HIS V ND1 ? ? 1 +23582 C CE1 . HIS Q 118 0.4144 0.8235 0.8579 -0.0064 -0.0598 -0.0474 118 HIS V CE1 ? ? 1 +23583 N NE2 . HIS Q 118 0.4127 0.8227 0.8541 -0.0030 -0.0533 -0.0445 118 HIS V NE2 ? ? 1 +23584 C CD2 . HIS Q 118 0.4266 0.8265 0.8529 0.0003 -0.0519 -0.0464 118 HIS V CD2 ? ? 1 +23585 C C . HIS Q 118 0.4513 0.8384 0.8504 0.0015 -0.0672 -0.0531 118 HIS V C ? ? 1 +23586 O O . HIS Q 118 0.4411 0.8377 0.8515 -0.0014 -0.0712 -0.0521 118 HIS V O ? ? 1 +23587 N N . ILE Q 119 0.4566 0.8396 0.8454 0.0054 -0.0629 -0.0515 119 ILE V N ? ? 1 +23588 C CA . ILE Q 119 0.4486 0.8379 0.8393 0.0063 -0.0621 -0.0481 119 ILE V CA ? ? 1 +23589 C CB . ILE Q 119 0.4554 0.8384 0.8343 0.0105 -0.0550 -0.0462 119 ILE V CB ? ? 1 +23590 C CG1 . ILE Q 119 0.4489 0.8335 0.8337 0.0112 -0.0464 -0.0443 119 ILE V CG1 ? ? 1 +23591 C CG2 . ILE Q 119 0.4511 0.8384 0.8291 0.0116 -0.0547 -0.0431 119 ILE V CG2 ? ? 1 +23592 C CD1 . ILE Q 119 0.4564 0.8353 0.8309 0.0149 -0.0385 -0.0427 119 ILE V CD1 ? ? 1 +23593 C C . ILE Q 119 0.4514 0.8421 0.8396 0.0055 -0.0706 -0.0498 119 ILE V C ? ? 1 +23594 O O . ILE Q 119 0.4409 0.8404 0.8370 0.0045 -0.0723 -0.0474 119 ILE V O ? ? 1 +23595 N N . LEU Q 120 0.4666 0.8488 0.8439 0.0059 -0.0761 -0.0540 120 LEU V N ? ? 1 +23596 C CA . LEU Q 120 0.4725 0.8554 0.8463 0.0056 -0.0846 -0.0561 120 LEU V CA ? ? 1 +23597 C CB . LEU Q 120 0.4917 0.8616 0.8470 0.0084 -0.0878 -0.0600 120 LEU V CB ? ? 1 +23598 C CG . LEU Q 120 0.5021 0.8630 0.8418 0.0131 -0.0818 -0.0582 120 LEU V CG ? ? 1 +23599 C CD1 . LEU Q 120 0.5226 0.8702 0.8441 0.0157 -0.0849 -0.0623 120 LEU V CD1 ? ? 1 +23600 C CD2 . LEU Q 120 0.4980 0.8631 0.8366 0.0149 -0.0816 -0.0548 120 LEU V CD2 ? ? 1 +23601 C C . LEU Q 120 0.4661 0.8574 0.8537 0.0010 -0.0913 -0.0581 120 LEU V C ? ? 1 +23602 O O . LEU Q 120 0.4639 0.8611 0.8551 0.0003 -0.0975 -0.0585 120 LEU V O ? ? 1 +23603 N N . VAL Q 121 0.4647 0.8565 0.8602 -0.0019 -0.0899 -0.0593 121 VAL V N ? ? 1 +23604 C CA . VAL Q 121 0.4586 0.8576 0.8671 -0.0067 -0.0954 -0.0612 121 VAL V CA ? ? 1 +23605 C CB . VAL Q 121 0.4638 0.8567 0.8725 -0.0091 -0.0948 -0.0642 121 VAL V CB ? ? 1 +23606 C CG1 . VAL Q 121 0.4540 0.8551 0.8781 -0.0145 -0.0986 -0.0653 121 VAL V CG1 ? ? 1 +23607 C CG2 . VAL Q 121 0.4830 0.8636 0.8758 -0.0075 -0.0988 -0.0689 121 VAL V CG2 ? ? 1 +23608 C C . VAL Q 121 0.4414 0.8535 0.8669 -0.0091 -0.0934 -0.0573 121 VAL V C ? ? 1 +23609 O O . VAL Q 121 0.4351 0.8556 0.8702 -0.0120 -0.0988 -0.0580 121 VAL V O ? ? 1 +23610 N N . GLU Q 122 0.4354 0.8494 0.8645 -0.0079 -0.0856 -0.0534 122 GLU V N ? ? 1 +23611 C CA . GLU Q 122 0.4182 0.8436 0.8633 -0.0102 -0.0830 -0.0498 122 GLU V CA ? ? 1 +23612 C CB . GLU Q 122 0.4146 0.8399 0.8606 -0.0081 -0.0742 -0.0461 122 GLU V CB ? ? 1 +23613 C CG . GLU Q 122 0.4009 0.8351 0.8627 -0.0109 -0.0714 -0.0436 122 GLU V CG ? ? 1 +23614 C CD . GLU Q 122 0.4038 0.8357 0.8704 -0.0141 -0.0727 -0.0460 122 GLU V CD ? ? 1 +23615 O OE1 . GLU Q 122 0.4187 0.8415 0.8761 -0.0140 -0.0754 -0.0498 122 GLU V OE1 ? ? 1 +23616 O OE2 . GLU Q 122 0.3949 0.8337 0.8739 -0.0166 -0.0711 -0.0441 122 GLU V OE2 ? ? 1 +23617 C C . GLU Q 122 0.4074 0.8425 0.8592 -0.0107 -0.0866 -0.0480 122 GLU V C ? ? 1 +23618 O O . GLU Q 122 0.3946 0.8391 0.8601 -0.0141 -0.0884 -0.0472 122 GLU V O ? ? 1 +23619 N N . PRO Q 123 0.4128 0.8458 0.8552 -0.0074 -0.0875 -0.0472 123 PRO V N ? ? 1 +23620 C CA . PRO Q 123 0.4073 0.8486 0.8550 -0.0075 -0.0917 -0.0459 123 PRO V CA ? ? 1 +23621 C CB . PRO Q 123 0.4177 0.8520 0.8502 -0.0029 -0.0914 -0.0453 123 PRO V CB ? ? 1 +23622 C CG . PRO Q 123 0.4277 0.8517 0.8488 -0.0006 -0.0858 -0.0455 123 PRO V CG ? ? 1 +23623 C CD . PRO Q 123 0.4268 0.8489 0.8526 -0.0031 -0.0844 -0.0474 123 PRO V CD ? ? 1 +23624 C C . PRO Q 123 0.4088 0.8546 0.8621 -0.0104 -0.1004 -0.0494 123 PRO V C ? ? 1 +23625 O O . PRO Q 123 0.3980 0.8538 0.8620 -0.0120 -0.1033 -0.0483 123 PRO V O ? ? 1 +23626 N N . LYS Q 124 0.4225 0.8610 0.8686 -0.0110 -0.1045 -0.0539 124 LYS V N ? ? 1 +23627 C CA . LYS Q 124 0.4264 0.8686 0.8775 -0.0140 -0.1127 -0.0579 124 LYS V CA ? ? 1 +23628 C CB . LYS Q 124 0.4436 0.8750 0.8827 -0.0138 -0.1166 -0.0628 124 LYS V CB ? ? 1 +23629 C CG . LYS Q 124 0.4590 0.8807 0.8799 -0.0086 -0.1173 -0.0634 124 LYS V CG ? ? 1 +23630 C CD . LYS Q 124 0.4773 0.8871 0.8850 -0.0079 -0.1199 -0.0680 124 LYS V CD ? ? 1 +23631 C CE . LYS Q 124 0.4852 0.8967 0.8942 -0.0102 -0.1295 -0.0730 124 LYS V CE ? ? 1 +23632 N NZ . LYS Q 124 0.5049 0.9037 0.8991 -0.0090 -0.1322 -0.0775 124 LYS V NZ ? ? 1 +23633 C C . LYS Q 124 0.4150 0.8662 0.8833 -0.0191 -0.1121 -0.0575 124 LYS V C ? ? 1 +23634 O O . LYS Q 124 0.4118 0.8712 0.8898 -0.0220 -0.1176 -0.0591 124 LYS V O ? ? 1 +23635 N N . ILE Q 125 0.4099 0.8595 0.8818 -0.0201 -0.1053 -0.0553 125 ILE V N ? ? 1 +23636 C CA . ILE Q 125 0.3991 0.8559 0.8860 -0.0245 -0.1038 -0.0544 125 ILE V CA ? ? 1 +23637 C CB . ILE Q 125 0.4008 0.8505 0.8859 -0.0251 -0.0981 -0.0542 125 ILE V CB ? ? 1 +23638 C CG1 . ILE Q 125 0.4168 0.8553 0.8907 -0.0251 -0.1011 -0.0588 125 ILE V CG1 ? ? 1 +23639 C CG2 . ILE Q 125 0.3891 0.8453 0.8887 -0.0294 -0.0961 -0.0528 125 ILE V CG2 ? ? 1 +23640 C CD1 . ILE Q 125 0.4216 0.8517 0.8917 -0.0248 -0.0954 -0.0587 125 ILE V CD1 ? ? 1 +23641 C C . ILE Q 125 0.3865 0.8543 0.8848 -0.0247 -0.1009 -0.0499 125 ILE V C ? ? 1 +23642 O O . ILE Q 125 0.3814 0.8585 0.8917 -0.0279 -0.1040 -0.0500 125 ILE V O ? ? 1 +23643 N N . LEU Q 126 0.3852 0.8517 0.8796 -0.0213 -0.0949 -0.0461 126 LEU V N ? ? 1 +23644 C CA . LEU Q 126 0.3704 0.8461 0.8753 -0.0216 -0.0910 -0.0417 126 LEU V CA ? ? 1 +23645 C CB . LEU Q 126 0.3677 0.8395 0.8692 -0.0192 -0.0830 -0.0386 126 LEU V CB ? ? 1 +23646 C CG . LEU Q 126 0.3678 0.8355 0.8716 -0.0208 -0.0794 -0.0392 126 LEU V CG ? ? 1 +23647 C CD1 . LEU Q 126 0.3660 0.8307 0.8666 -0.0178 -0.0717 -0.0363 126 LEU V CD1 ? ? 1 +23648 C CD2 . LEU Q 126 0.3562 0.8316 0.8744 -0.0251 -0.0802 -0.0386 126 LEU V CD2 ? ? 1 +23649 C C . LEU Q 126 0.3690 0.8508 0.8745 -0.0197 -0.0935 -0.0400 126 LEU V C ? ? 1 +23650 O O . LEU Q 126 0.3562 0.8464 0.8713 -0.0204 -0.0913 -0.0367 126 LEU V O ? ? 1 +23651 N N . GLY Q 127 0.3841 0.8613 0.8788 -0.0172 -0.0981 -0.0422 127 GLY V N ? ? 1 +23652 C CA . GLY Q 127 0.3868 0.8681 0.8801 -0.0147 -0.1004 -0.0406 127 GLY V CA ? ? 1 +23653 C C . GLY Q 127 0.3877 0.8693 0.8794 -0.0122 -0.0935 -0.0359 127 GLY V C ? ? 1 +23654 O O . GLY Q 127 0.3957 0.8696 0.8783 -0.0100 -0.0883 -0.0349 127 GLY V O ? ? 1 +23655 N N . ASP Q 128 0.3831 0.8738 0.8840 -0.0126 -0.0933 -0.0331 128 ASP V N ? ? 1 +23656 C CA . ASP Q 128 0.3832 0.8748 0.8829 -0.0104 -0.0874 -0.0288 128 ASP V CA ? ? 1 +23657 C CB . ASP Q 128 0.3855 0.8872 0.8953 -0.0110 -0.0893 -0.0266 128 ASP V CB ? ? 1 +23658 C CG . ASP Q 128 0.4104 0.9119 0.9143 -0.0087 -0.0957 -0.0281 128 ASP V CG ? ? 1 +23659 O OD1 . ASP Q 128 0.4415 0.9339 0.9314 -0.0058 -0.0977 -0.0299 128 ASP V OD1 ? ? 1 +23660 O OD2 . ASP Q 128 0.4169 0.9273 0.9301 -0.0095 -0.0992 -0.0276 128 ASP V OD2 ? ? 1 +23661 C C . ASP Q 128 0.3691 0.8603 0.8729 -0.0113 -0.0798 -0.0265 128 ASP V C ? ? 1 +23662 O O . ASP Q 128 0.3676 0.8564 0.8669 -0.0091 -0.0742 -0.0237 128 ASP V O ? ? 1 +23663 N N . LYS Q 129 0.3564 0.8501 0.8688 -0.0145 -0.0796 -0.0276 129 LYS V N ? ? 1 +23664 C CA . LYS Q 129 0.3457 0.8387 0.8617 -0.0151 -0.0731 -0.0258 129 LYS V CA ? ? 1 +23665 C CB . LYS Q 129 0.3429 0.8373 0.8669 -0.0186 -0.0742 -0.0276 129 LYS V CB ? ? 1 +23666 C CG . LYS Q 129 0.3309 0.8357 0.8693 -0.0219 -0.0762 -0.0266 129 LYS V CG ? ? 1 +23667 C CD . LYS Q 129 0.3293 0.8341 0.8749 -0.0252 -0.0749 -0.0274 129 LYS V CD ? ? 1 +23668 C CE . LYS Q 129 0.3175 0.8318 0.8770 -0.0279 -0.0736 -0.0249 129 LYS V CE ? ? 1 +23669 N NZ . LYS Q 129 0.3176 0.8395 0.8831 -0.0295 -0.0788 -0.0255 129 LYS V NZ ? ? 1 +23670 C C . LYS Q 129 0.3505 0.8336 0.8538 -0.0119 -0.0685 -0.0259 129 LYS V C ? ? 1 +23671 O O . LYS Q 129 0.3482 0.8317 0.8528 -0.0109 -0.0622 -0.0233 129 LYS V O ? ? 1 +23672 N N . TRP Q 130 0.3573 0.8319 0.8487 -0.0105 -0.0717 -0.0291 130 TRP V N ? ? 1 +23673 C CA . TRP Q 130 0.3630 0.8276 0.8413 -0.0074 -0.0675 -0.0295 130 TRP V CA ? ? 1 +23674 C CB . TRP Q 130 0.3760 0.8314 0.8431 -0.0067 -0.0721 -0.0337 130 TRP V CB ? ? 1 +23675 C CG . TRP Q 130 0.3863 0.8307 0.8393 -0.0034 -0.0677 -0.0345 130 TRP V CG ? ? 1 +23676 C CD1 . TRP Q 130 0.3982 0.8346 0.8364 -0.0001 -0.0683 -0.0352 130 TRP V CD1 ? ? 1 +23677 N NE1 . TRP Q 130 0.4072 0.8347 0.8355 0.0021 -0.0632 -0.0358 130 TRP V NE1 ? ? 1 +23678 C CE2 . TRP Q 130 0.4006 0.8303 0.8373 0.0005 -0.0594 -0.0356 130 TRP V CE2 ? ? 1 +23679 C CZ2 . TRP Q 130 0.4060 0.8294 0.8381 0.0020 -0.0537 -0.0361 130 TRP V CZ2 ? ? 1 +23680 C CH2 . TRP Q 130 0.3974 0.8248 0.8402 0.0001 -0.0512 -0.0357 130 TRP V CH2 ? ? 1 +23681 C CZ3 . TRP Q 130 0.3839 0.8208 0.8413 -0.0034 -0.0540 -0.0347 130 TRP V CZ3 ? ? 1 +23682 C CE3 . TRP Q 130 0.3781 0.8215 0.8403 -0.0051 -0.0594 -0.0342 130 TRP V CE3 ? ? 1 +23683 C CD2 . TRP Q 130 0.3862 0.8262 0.8382 -0.0030 -0.0623 -0.0347 130 TRP V CD2 ? ? 1 +23684 C C . TRP Q 130 0.3628 0.8260 0.8337 -0.0043 -0.0649 -0.0269 130 TRP V C ? ? 1 +23685 O O . TRP Q 130 0.3672 0.8300 0.8332 -0.0032 -0.0696 -0.0275 130 TRP V O ? ? 1 +23686 N N . GLY Q 131 0.3558 0.8184 0.8264 -0.0030 -0.0574 -0.0243 131 GLY V N ? ? 1 +23687 C CA . GLY Q 131 0.3552 0.8163 0.8194 -0.0006 -0.0537 -0.0216 131 GLY V CA ? ? 1 +23688 C C . GLY Q 131 0.3405 0.8111 0.8147 -0.0018 -0.0540 -0.0186 131 GLY V C ? ? 1 +23689 O O . GLY Q 131 0.3435 0.8129 0.8125 0.0000 -0.0516 -0.0164 131 GLY V O ? ? 1 +23690 N N . GLY Q 132 0.3267 0.8062 0.8146 -0.0047 -0.0567 -0.0184 132 GLY V N ? ? 1 +23691 C CA . GLY Q 132 0.3142 0.8027 0.8116 -0.0059 -0.0580 -0.0160 132 GLY V CA ? ? 1 +23692 C C . GLY Q 132 0.3018 0.7963 0.8081 -0.0067 -0.0516 -0.0125 132 GLY V C ? ? 1 +23693 O O . GLY Q 132 0.2953 0.7950 0.8058 -0.0068 -0.0510 -0.0101 132 GLY V O ? ? 1 +23694 N N . GLY Q 133 0.2994 0.7931 0.8085 -0.0071 -0.0471 -0.0125 133 GLY V N ? ? 1 +23695 C CA . GLY Q 133 0.2873 0.7873 0.8059 -0.0079 -0.0415 -0.0098 133 GLY V CA ? ? 1 +23696 C C . GLY Q 133 0.2731 0.7825 0.8060 -0.0108 -0.0437 -0.0089 133 GLY V C ? ? 1 +23697 O O . GLY Q 133 0.2750 0.7858 0.8112 -0.0126 -0.0491 -0.0107 133 GLY V O ? ? 1 +23698 N N A LYS Q 134 0.2620 0.7778 0.8033 -0.0114 -0.0395 -0.0061 134 LYS V N ? ? 1 +23699 N N B LYS Q 134 0.2616 0.7773 0.8028 -0.0114 -0.0395 -0.0061 134 LYS V N ? ? 1 +23700 C CA A LYS Q 134 0.2488 0.7728 0.8032 -0.0139 -0.0403 -0.0050 134 LYS V CA ? ? 1 +23701 C CA B LYS Q 134 0.2481 0.7722 0.8026 -0.0139 -0.0403 -0.0050 134 LYS V CA ? ? 1 +23702 C C A LYS Q 134 0.2427 0.7722 0.8026 -0.0157 -0.0458 -0.0049 134 LYS V C ? ? 1 +23703 C C B LYS Q 134 0.2421 0.7716 0.8019 -0.0157 -0.0458 -0.0049 134 LYS V C ? ? 1 +23704 O O A LYS Q 134 0.2345 0.7693 0.8038 -0.0180 -0.0478 -0.0050 134 LYS V O ? ? 1 +23705 O O B LYS Q 134 0.2337 0.7685 0.8030 -0.0180 -0.0478 -0.0050 134 LYS V O ? ? 1 +23706 C CB A LYS Q 134 0.2395 0.7689 0.8006 -0.0138 -0.0348 -0.0021 134 LYS V CB ? ? 1 +23707 C CB B LYS Q 134 0.2383 0.7677 0.7994 -0.0138 -0.0348 -0.0020 134 LYS V CB ? ? 1 +23708 C CG A LYS Q 134 0.2368 0.7687 0.7969 -0.0133 -0.0338 0.0001 134 LYS V CG ? ? 1 +23709 C CG B LYS Q 134 0.2353 0.7674 0.7956 -0.0133 -0.0339 0.0002 134 LYS V CG ? ? 1 +23710 C CD A LYS Q 134 0.2286 0.7659 0.7955 -0.0134 -0.0285 0.0027 134 LYS V CD ? ? 1 +23711 C CD B LYS Q 134 0.2267 0.7644 0.7941 -0.0135 -0.0286 0.0028 134 LYS V CD ? ? 1 +23712 C CE A LYS Q 134 0.2341 0.7673 0.7960 -0.0116 -0.0227 0.0027 134 LYS V CE ? ? 1 +23713 C CE B LYS Q 134 0.2316 0.7654 0.7943 -0.0118 -0.0227 0.0028 134 LYS V CE ? ? 1 +23714 N NZ A LYS Q 134 0.2257 0.7652 0.7953 -0.0120 -0.0178 0.0049 134 LYS V NZ ? ? 1 +23715 N NZ B LYS Q 134 0.2234 0.7633 0.7934 -0.0122 -0.0180 0.0051 134 LYS V NZ ? ? 1 +23716 N N . VAL Q 135 0.2466 0.7747 0.8004 -0.0144 -0.0481 -0.0048 135 VAL V N ? ? 1 +23717 C CA . VAL Q 135 0.2425 0.7759 0.8010 -0.0155 -0.0534 -0.0049 135 VAL V CA ? ? 1 +23718 C CB . VAL Q 135 0.2498 0.7799 0.7991 -0.0132 -0.0555 -0.0047 135 VAL V CB ? ? 1 +23719 C CG1 . VAL Q 135 0.2474 0.7825 0.8010 -0.0140 -0.0618 -0.0056 135 VAL V CG1 ? ? 1 +23720 C CG2 . VAL Q 135 0.2470 0.7779 0.7953 -0.0120 -0.0505 -0.0015 135 VAL V CG2 ? ? 1 +23721 C C . VAL Q 135 0.2435 0.7776 0.8052 -0.0175 -0.0587 -0.0078 135 VAL V C ? ? 1 +23722 O O . VAL Q 135 0.2352 0.7762 0.8061 -0.0197 -0.0617 -0.0077 135 VAL V O ? ? 1 +23723 N N . TYR Q 136 0.2538 0.7804 0.8079 -0.0170 -0.0596 -0.0105 136 TYR V N ? ? 1 +23724 C CA . TYR Q 136 0.2570 0.7830 0.8130 -0.0191 -0.0646 -0.0136 136 TYR V CA ? ? 1 +23725 C CB . TYR Q 136 0.2720 0.7900 0.8155 -0.0171 -0.0683 -0.0166 136 TYR V CB ? ? 1 +23726 C CG . TYR Q 136 0.2765 0.7948 0.8145 -0.0149 -0.0710 -0.0160 136 TYR V CG ? ? 1 +23727 C CD1 . TYR Q 136 0.2750 0.7990 0.8177 -0.0158 -0.0770 -0.0171 136 TYR V CD1 ? ? 1 +23728 C CD2 . TYR Q 136 0.2830 0.7961 0.8113 -0.0118 -0.0672 -0.0142 136 TYR V CD2 ? ? 1 +23729 C CE1 . TYR Q 136 0.2788 0.8028 0.8163 -0.0133 -0.0796 -0.0164 136 TYR V CE1 ? ? 1 +23730 C CE2 . TYR Q 136 0.2879 0.8004 0.8105 -0.0096 -0.0694 -0.0134 136 TYR V CE2 ? ? 1 +23731 C CZ . TYR Q 136 0.2861 0.8039 0.8131 -0.0101 -0.0758 -0.0145 136 TYR V CZ ? ? 1 +23732 O OH . TYR Q 136 0.2911 0.8078 0.8119 -0.0075 -0.0781 -0.0137 136 TYR V OH ? ? 1 +23733 C C . TYR Q 136 0.2546 0.7793 0.8149 -0.0210 -0.0626 -0.0145 136 TYR V C ? ? 1 +23734 O O . TYR Q 136 0.2599 0.7818 0.8194 -0.0226 -0.0660 -0.0174 136 TYR V O ? ? 1 +23735 N N A TYR Q 137 0.2479 0.7745 0.8127 -0.0208 -0.0570 -0.0120 137 TYR V N ? ? 1 +23736 N N B TYR Q 137 0.2478 0.7744 0.8126 -0.0208 -0.0570 -0.0120 137 TYR V N ? ? 1 +23737 C CA A TYR Q 137 0.2457 0.7713 0.8149 -0.0222 -0.0548 -0.0123 137 TYR V CA ? ? 1 +23738 C CA B TYR Q 137 0.2457 0.7712 0.8149 -0.0222 -0.0549 -0.0124 137 TYR V CA ? ? 1 +23739 C C A TYR Q 137 0.2386 0.7700 0.8183 -0.0258 -0.0577 -0.0126 137 TYR V C ? ? 1 +23740 C C B TYR Q 137 0.2382 0.7697 0.8180 -0.0258 -0.0578 -0.0126 137 TYR V C ? ? 1 +23741 O O A TYR Q 137 0.2407 0.7694 0.8222 -0.0275 -0.0579 -0.0140 137 TYR V O ? ? 1 +23742 O O B TYR Q 137 0.2401 0.7691 0.8219 -0.0276 -0.0580 -0.0140 137 TYR V O ? ? 1 +23743 C CB A TYR Q 137 0.2392 0.7667 0.8115 -0.0209 -0.0485 -0.0095 137 TYR V CB ? ? 1 +23744 C CB B TYR Q 137 0.2391 0.7663 0.8113 -0.0209 -0.0486 -0.0095 137 TYR V CB ? ? 1 +23745 C CG A TYR Q 137 0.2471 0.7678 0.8100 -0.0178 -0.0443 -0.0096 137 TYR V CG ? ? 1 +23746 C CG B TYR Q 137 0.2469 0.7675 0.8097 -0.0178 -0.0443 -0.0097 137 TYR V CG ? ? 1 +23747 C CD1 A TYR Q 137 0.2589 0.7719 0.8103 -0.0161 -0.0460 -0.0119 137 TYR V CD1 ? ? 1 +23748 C CD1 B TYR Q 137 0.2587 0.7715 0.8099 -0.0161 -0.0460 -0.0120 137 TYR V CD1 ? ? 1 +23749 C CD2 A TYR Q 137 0.2431 0.7652 0.8087 -0.0164 -0.0386 -0.0076 137 TYR V CD2 ? ? 1 +23750 C CD2 B TYR Q 137 0.2430 0.7650 0.8085 -0.0164 -0.0386 -0.0077 137 TYR V CD2 ? ? 1 +23751 C CE1 A TYR Q 137 0.2667 0.7733 0.8091 -0.0133 -0.0417 -0.0121 137 TYR V CE1 ? ? 1 +23752 C CE1 B TYR Q 137 0.2664 0.7729 0.8087 -0.0133 -0.0417 -0.0121 137 TYR V CE1 ? ? 1 +23753 C CE2 A TYR Q 137 0.2503 0.7668 0.8079 -0.0136 -0.0344 -0.0080 137 TYR V CE2 ? ? 1 +23754 C CE2 B TYR Q 137 0.2498 0.7663 0.8073 -0.0136 -0.0344 -0.0080 137 TYR V CE2 ? ? 1 +23755 C CZ A TYR Q 137 0.2624 0.7709 0.8082 -0.0121 -0.0358 -0.0101 137 TYR V CZ ? ? 1 +23756 C CZ B TYR Q 137 0.2620 0.7705 0.8078 -0.0121 -0.0357 -0.0101 137 TYR V CZ ? ? 1 +23757 O OH A TYR Q 137 0.2706 0.7734 0.8083 -0.0094 -0.0312 -0.0105 137 TYR V OH ? ? 1 +23758 O OH B TYR Q 137 0.2703 0.7731 0.8080 -0.0093 -0.0311 -0.0104 137 TYR V OH ? ? 1 +23759 O OXT A TYR Q 137 0.2311 0.7696 0.8174 -0.0269 -0.0595 -0.0113 137 TYR V OXT ? ? 1 +23760 O OXT B TYR Q 137 0.2305 0.7692 0.8169 -0.0269 -0.0595 -0.0113 137 TYR V OXT ? ? 1 +23761 N N . THR R 1 0.4157 1.3039 1.4716 -0.2071 -0.0436 -0.0890 2 THR X N ? ? 1 +23762 C CA . THR R 1 0.4157 1.2973 1.4677 -0.2104 -0.0498 -0.0928 2 THR X CA ? ? 1 +23763 C CB . THR R 1 0.4173 1.3057 1.4686 -0.2025 -0.0614 -0.0959 2 THR X CB ? ? 1 +23764 O OG1 . THR R 1 0.4093 1.3095 1.4649 -0.1942 -0.0632 -0.0945 2 THR X OG1 ? ? 1 +23765 C CG2 . THR R 1 0.4187 1.3182 1.4833 -0.2077 -0.0681 -0.1041 2 THR X CG2 ? ? 1 +23766 C C . THR R 1 0.3921 1.2509 1.4248 -0.2113 -0.0461 -0.0876 2 THR X C ? ? 1 +23767 O O . THR R 1 0.3943 1.2438 1.4150 -0.2061 -0.0423 -0.0813 2 THR X O ? ? 1 +23768 N N . ILE R 2 0.3710 1.2210 1.4009 -0.2179 -0.0473 -0.0904 3 ILE X N ? ? 1 +23769 C CA . ILE R 2 0.3565 1.1848 1.3683 -0.2186 -0.0447 -0.0862 3 ILE X CA ? ? 1 +23770 C CB . ILE R 2 0.3800 1.2001 1.3937 -0.2298 -0.0397 -0.0885 3 ILE X CB ? ? 1 +23771 C CG1 . ILE R 2 0.3864 1.2101 1.4088 -0.2364 -0.0294 -0.0870 3 ILE X CG1 ? ? 1 +23772 C CG2 . ILE R 2 0.3948 1.1919 1.3891 -0.2300 -0.0381 -0.0846 3 ILE X CG2 ? ? 1 +23773 C CD1 . ILE R 2 0.3901 1.2352 1.4316 -0.2370 -0.0288 -0.0902 3 ILE X CD1 ? ? 1 +23774 C C . ILE R 2 0.3248 1.1473 1.3254 -0.2117 -0.0540 -0.0868 3 ILE X C ? ? 1 +23775 O O . ILE R 2 0.3207 1.1409 1.3214 -0.2150 -0.0593 -0.0913 3 ILE X O ? ? 1 +23776 N N . THR R 3 0.2965 1.1159 1.2869 -0.2022 -0.0557 -0.0821 4 THR X N ? ? 1 +23777 C CA . THR R 3 0.2754 1.0882 1.2538 -0.1952 -0.0636 -0.0819 4 THR X CA ? ? 1 +23778 C CB . THR R 3 0.2646 1.0776 1.2354 -0.1852 -0.0645 -0.0770 4 THR X CB ? ? 1 +23779 O OG1 . THR R 3 0.2657 1.0661 1.2260 -0.1849 -0.0565 -0.0705 4 THR X OG1 ? ? 1 +23780 C CG2 . THR R 3 0.2559 1.0878 1.2405 -0.1817 -0.0662 -0.0787 4 THR X CG2 ? ? 1 +23781 C C . THR R 3 0.2681 1.0613 1.2319 -0.1981 -0.0622 -0.0802 4 THR X C ? ? 1 +23782 O O . THR R 3 0.2654 1.0485 1.2253 -0.2032 -0.0545 -0.0773 4 THR X O ? ? 1 +23783 N N . PRO R 4 0.2618 1.0488 1.2168 -0.1947 -0.0695 -0.0821 5 PRO X N ? ? 1 +23784 C CA . PRO R 4 0.2668 1.0345 1.2065 -0.1962 -0.0684 -0.0802 5 PRO X CA ? ? 1 +23785 C CB . PRO R 4 0.2673 1.0331 1.1991 -0.1897 -0.0777 -0.0821 5 PRO X CB ? ? 1 +23786 C CG . PRO R 4 0.2644 1.0492 1.2106 -0.1885 -0.0843 -0.0875 5 PRO X CG ? ? 1 +23787 C CD . PRO R 4 0.2570 1.0546 1.2156 -0.1890 -0.0791 -0.0860 5 PRO X CD ? ? 1 +23788 C C . PRO R 4 0.2609 1.0146 1.1875 -0.1935 -0.0613 -0.0728 5 PRO X C ? ? 1 +23789 O O . PRO R 4 0.2664 1.0064 1.1858 -0.1983 -0.0564 -0.0712 5 PRO X O ? ? 1 +23790 N N . SER R 5 0.2480 1.0052 1.1716 -0.1859 -0.0606 -0.0685 6 SER X N ? ? 1 +23791 C CA . SER R 5 0.2458 0.9907 1.1573 -0.1829 -0.0544 -0.0617 6 SER X CA ? ? 1 +23792 C CB . SER R 5 0.2365 0.9844 1.1425 -0.1731 -0.0568 -0.0580 6 SER X CB ? ? 1 +23793 O OG . SER R 5 0.2314 0.9945 1.1492 -0.1717 -0.0558 -0.0582 6 SER X OG ? ? 1 +23794 C C . SER R 5 0.2446 0.9893 1.1612 -0.1885 -0.0452 -0.0592 6 SER X C ? ? 1 +23795 O O . SER R 5 0.2459 0.9771 1.1522 -0.1890 -0.0395 -0.0546 6 SER X O ? ? 1 +23796 N N . LEU R 6 0.2444 1.0040 1.1770 -0.1926 -0.0437 -0.0623 7 LEU X N ? ? 1 +23797 C CA . LEU R 6 0.2463 1.0056 1.1841 -0.1987 -0.0348 -0.0605 7 LEU X CA ? ? 1 +23798 C CB . LEU R 6 0.2414 1.0202 1.1978 -0.2015 -0.0341 -0.0640 7 LEU X CB ? ? 1 +23799 C CG . LEU R 6 0.2435 1.0237 1.2066 -0.2078 -0.0244 -0.0623 7 LEU X CG ? ? 1 +23800 C CD1 . LEU R 6 0.2405 1.0108 1.1917 -0.2032 -0.0183 -0.0551 7 LEU X CD1 ? ? 1 +23801 C CD2 . LEU R 6 0.2367 1.0375 1.2187 -0.2095 -0.0243 -0.0661 7 LEU X CD2 ? ? 1 +23802 C C . LEU R 6 0.2598 1.0067 1.1942 -0.2073 -0.0312 -0.0618 7 LEU X C ? ? 1 +23803 O O . LEU R 6 0.2642 0.9996 1.1918 -0.2102 -0.0237 -0.0578 7 LEU X O ? ? 1 +23804 N N . LYS R 7 0.2673 1.0161 1.2059 -0.2110 -0.0368 -0.0674 8 LYS X N ? ? 1 +23805 C CA . LYS R 7 0.2799 1.0157 1.2138 -0.2185 -0.0347 -0.0691 8 LYS X CA ? ? 1 +23806 C CB . LYS R 7 0.2907 1.0328 1.2318 -0.2217 -0.0425 -0.0763 8 LYS X CB ? ? 1 +23807 C CG . LYS R 7 0.3115 1.0407 1.2484 -0.2299 -0.0409 -0.0788 8 LYS X CG ? ? 1 +23808 C CD . LYS R 7 0.3229 1.0562 1.2641 -0.2320 -0.0495 -0.0856 8 LYS X CD ? ? 1 +23809 C CE . LYS R 7 0.3439 1.0630 1.2800 -0.2402 -0.0473 -0.0878 8 LYS X CE ? ? 1 +23810 N NZ . LYS R 7 0.3545 1.0774 1.2948 -0.2427 -0.0556 -0.0948 8 LYS X NZ ? ? 1 +23811 C C . LYS R 7 0.2767 0.9924 1.1910 -0.2145 -0.0332 -0.0639 8 LYS X C ? ? 1 +23812 O O . LYS R 7 0.2822 0.9848 1.1897 -0.2189 -0.0266 -0.0612 8 LYS X O ? ? 1 +23813 N N . GLY R 8 0.2664 0.9800 1.1717 -0.2059 -0.0390 -0.0624 9 GLY X N ? ? 1 +23814 C CA . GLY R 8 0.2656 0.9622 1.1532 -0.2009 -0.0377 -0.0573 9 GLY X CA ? ? 1 +23815 C C . GLY R 8 0.2607 0.9500 1.1425 -0.2002 -0.0294 -0.0511 9 GLY X C ? ? 1 +23816 O O . GLY R 8 0.2645 0.9377 1.1347 -0.2014 -0.0253 -0.0480 9 GLY X O ? ? 1 +23817 N N . PHE R 9 0.2524 0.9536 1.1425 -0.1984 -0.0269 -0.0495 10 PHE X N ? ? 1 +23818 C CA . PHE R 9 0.2536 0.9498 1.1397 -0.1980 -0.0191 -0.0441 10 PHE X CA ? ? 1 +23819 C CB . PHE R 9 0.2393 0.9515 1.1358 -0.1949 -0.0183 -0.0434 10 PHE X CB ? ? 1 +23820 C CG . PHE R 9 0.2354 0.9433 1.1275 -0.1935 -0.0108 -0.0378 10 PHE X CG ? ? 1 +23821 C CD2 . PHE R 9 0.2367 0.9486 1.1372 -0.1999 -0.0038 -0.0379 10 PHE X CD2 ? ? 1 +23822 C CD1 . PHE R 9 0.2307 0.9308 1.1103 -0.1859 -0.0107 -0.0325 10 PHE X CD1 ? ? 1 +23823 C CE2 . PHE R 9 0.2359 0.9435 1.1316 -0.1985 0.0031 -0.0328 10 PHE X CE2 ? ? 1 +23824 C CE1 . PHE R 9 0.2285 0.9246 1.1037 -0.1845 -0.0041 -0.0275 10 PHE X CE1 ? ? 1 +23825 C CZ . PHE R 9 0.2320 0.9317 1.1149 -0.1907 0.0027 -0.0276 10 PHE X CZ ? ? 1 +23826 C C . PHE R 9 0.2739 0.9615 1.1605 -0.2069 -0.0115 -0.0439 10 PHE X C ? ? 1 +23827 O O . PHE R 9 0.2814 0.9548 1.1565 -0.2066 -0.0062 -0.0393 10 PHE X O ? ? 1 +23828 N N . PHE R 10 0.2887 0.9845 1.1883 -0.2150 -0.0110 -0.0490 11 PHE X N ? ? 1 +23829 C CA . PHE R 10 0.3097 0.9967 1.2096 -0.2240 -0.0037 -0.0490 11 PHE X CA ? ? 1 +23830 C CB . PHE R 10 0.3223 1.0232 1.2402 -0.2327 -0.0033 -0.0552 11 PHE X CB ? ? 1 +23831 C CG . PHE R 10 0.3246 1.0432 1.2563 -0.2320 -0.0010 -0.0554 11 PHE X CG ? ? 1 +23832 C CD1 . PHE R 10 0.3284 1.0442 1.2567 -0.2306 0.0065 -0.0501 11 PHE X CD1 ? ? 1 +23833 C CD2 . PHE R 10 0.3254 1.0631 1.2729 -0.2323 -0.0065 -0.0608 11 PHE X CD2 ? ? 1 +23834 C CE1 . PHE R 10 0.3239 1.0556 1.2643 -0.2296 0.0087 -0.0503 11 PHE X CE1 ? ? 1 +23835 C CE2 . PHE R 10 0.3219 1.0758 1.2820 -0.2313 -0.0043 -0.0611 11 PHE X CE2 ? ? 1 +23836 C CZ . PHE R 10 0.3210 1.0718 1.2775 -0.2300 0.0034 -0.0558 11 PHE X CZ ? ? 1 +23837 C C . PHE R 10 0.3194 0.9869 1.2054 -0.2261 -0.0035 -0.0484 11 PHE X C ? ? 1 +23838 O O . PHE R 10 0.3212 0.9750 1.1994 -0.2296 0.0034 -0.0452 11 PHE X O ? ? 1 +23839 N N . ILE R 11 0.3239 0.9900 1.2069 -0.2238 -0.0111 -0.0516 12 ILE X N ? ? 1 +23840 C CA . ILE R 11 0.3402 0.9880 1.2097 -0.2248 -0.0116 -0.0512 12 ILE X CA ? ? 1 +23841 C CB . ILE R 11 0.3409 0.9901 1.2088 -0.2219 -0.0208 -0.0555 12 ILE X CB ? ? 1 +23842 C CG1 . ILE R 11 0.3435 1.0053 1.2264 -0.2288 -0.0248 -0.0628 12 ILE X CG1 ? ? 1 +23843 C CG2 . ILE R 11 0.3502 0.9795 1.2018 -0.2209 -0.0212 -0.0540 12 ILE X CG2 ? ? 1 +23844 C CD1 . ILE R 11 0.3569 1.0128 1.2435 -0.2389 -0.0201 -0.0654 12 ILE X CD1 ? ? 1 +23845 C C . ILE R 11 0.3450 0.9784 1.1984 -0.2184 -0.0081 -0.0444 12 ILE X C ? ? 1 +23846 O O . ILE R 11 0.3639 0.9812 1.2074 -0.2213 -0.0032 -0.0420 12 ILE X O ? ? 1 +23847 N N . GLY R 12 0.3330 0.9724 1.1841 -0.2097 -0.0108 -0.0414 13 GLY X N ? ? 1 +23848 C CA . GLY R 12 0.3361 0.9641 1.1734 -0.2034 -0.0077 -0.0350 13 GLY X CA ? ? 1 +23849 C C . GLY R 12 0.3431 0.9642 1.1783 -0.2072 0.0012 -0.0312 13 GLY X C ? ? 1 +23850 O O . GLY R 12 0.3539 0.9588 1.1761 -0.2062 0.0049 -0.0273 13 GLY X O ? ? 1 +23851 N N . LEU R 13 0.3371 0.9707 1.1852 -0.2115 0.0046 -0.0324 14 LEU X N ? ? 1 +23852 C CA . LEU R 13 0.3411 0.9701 1.1881 -0.2149 0.0133 -0.0288 14 LEU X CA ? ? 1 +23853 C CB . LEU R 13 0.3384 0.9857 1.2018 -0.2179 0.0154 -0.0308 14 LEU X CB ? ? 1 +23854 C CG . LEU R 13 0.3378 0.9868 1.2001 -0.2154 0.0216 -0.0260 14 LEU X CG ? ? 1 +23855 C CD1 . LEU R 13 0.3311 0.9792 1.1845 -0.2052 0.0184 -0.0218 14 LEU X CD1 ? ? 1 +23856 C CD2 . LEU R 13 0.3317 0.9993 1.2110 -0.2186 0.0232 -0.0288 14 LEU X CD2 ? ? 1 +23857 C C . LEU R 13 0.3556 0.9695 1.1973 -0.2229 0.0183 -0.0293 14 LEU X C ? ? 1 +23858 O O . LEU R 13 0.3633 0.9625 1.1933 -0.2225 0.0238 -0.0247 14 LEU X O ? ? 1 +23859 N N A LEU R 14 0.3605 0.9776 1.2104 -0.2299 0.0161 -0.0350 15 LEU X N ? ? 1 +23860 N N B LEU R 14 0.3632 0.9803 1.2130 -0.2299 0.0161 -0.0349 15 LEU X N ? ? 1 +23861 C CA A LEU R 14 0.3745 0.9775 1.2199 -0.2381 0.0203 -0.0362 15 LEU X CA ? ? 1 +23862 C CA B LEU R 14 0.3788 0.9817 1.2242 -0.2380 0.0204 -0.0361 15 LEU X CA ? ? 1 +23863 C C A LEU R 14 0.3819 0.9648 1.2093 -0.2343 0.0193 -0.0333 15 LEU X C ? ? 1 +23864 C C B LEU R 14 0.3842 0.9670 1.2115 -0.2343 0.0194 -0.0333 15 LEU X C ? ? 1 +23865 O O A LEU R 14 0.3951 0.9618 1.2128 -0.2377 0.0253 -0.0307 15 LEU X O ? ? 1 +23866 O O B LEU R 14 0.3973 0.9639 1.2150 -0.2377 0.0253 -0.0307 15 LEU X O ? ? 1 +23867 C CB A LEU R 14 0.3758 0.9879 1.2343 -0.2456 0.0166 -0.0434 15 LEU X CB ? ? 1 +23868 C CB B LEU R 14 0.3838 0.9955 1.2421 -0.2456 0.0168 -0.0433 15 LEU X CB ? ? 1 +23869 C CG A LEU R 14 0.3917 0.9901 1.2469 -0.2547 0.0201 -0.0457 15 LEU X CG ? ? 1 +23870 C CG B LEU R 14 0.3839 1.0117 1.2599 -0.2526 0.0204 -0.0464 15 LEU X CG ? ? 1 +23871 C CD1 A LEU R 14 0.4002 0.9948 1.2579 -0.2620 0.0299 -0.0438 15 LEU X CD1 ? ? 1 +23872 C CD1 B LEU R 14 0.3870 1.0236 1.2757 -0.2599 0.0161 -0.0539 15 LEU X CD1 ? ? 1 +23873 C CD2 A LEU R 14 0.3931 1.0009 1.2602 -0.2605 0.0143 -0.0533 15 LEU X CD2 ? ? 1 +23874 C CD2 B LEU R 14 0.3974 1.0157 1.2704 -0.2586 0.0306 -0.0432 15 LEU X CD2 ? ? 1 +23875 N N . SER R 15 0.3747 0.9586 1.1975 -0.2272 0.0119 -0.0340 16 SER X N ? ? 1 +23876 C CA . SER R 15 0.3813 0.9478 1.1875 -0.2225 0.0105 -0.0314 16 SER X CA ? ? 1 +23877 C CB . SER R 15 0.3698 0.9416 1.1742 -0.2150 0.0020 -0.0329 16 SER X CB ? ? 1 +23878 O OG . SER R 15 0.3719 0.9481 1.1830 -0.2194 -0.0032 -0.0391 16 SER X OG ? ? 1 +23879 C C . SER R 15 0.3828 0.9377 1.1766 -0.2176 0.0158 -0.0246 16 SER X C ? ? 1 +23880 O O . SER R 15 0.3926 0.9297 1.1743 -0.2189 0.0195 -0.0223 16 SER X O ? ? 1 +23881 N N . GLY R 16 0.3720 0.9370 1.1685 -0.2117 0.0159 -0.0215 17 GLY X N ? ? 1 +23882 C CA . GLY R 16 0.3727 0.9291 1.1590 -0.2072 0.0209 -0.0153 17 GLY X CA ? ? 1 +23883 C C . GLY R 16 0.3896 0.9358 1.1731 -0.2140 0.0294 -0.0133 17 GLY X C ? ? 1 +23884 O O . GLY R 16 0.4012 0.9311 1.1711 -0.2120 0.0331 -0.0091 17 GLY X O ? ? 1 +23885 N N . ALA R 17 0.3925 0.9483 1.1890 -0.2219 0.0327 -0.0163 18 ALA X N ? ? 1 +23886 C CA . ALA R 17 0.4058 0.9530 1.2007 -0.2289 0.0413 -0.0146 18 ALA X CA ? ? 1 +23887 C CB . ALA R 17 0.4040 0.9666 1.2162 -0.2368 0.0439 -0.0185 18 ALA X CB ? ? 1 +23888 C C . ALA R 17 0.4263 0.9540 1.2105 -0.2335 0.0433 -0.0150 18 ALA X C ? ? 1 +23889 O O . ALA R 17 0.4398 0.9519 1.2127 -0.2345 0.0494 -0.0110 18 ALA X O ? ? 1 +23890 N N . VAL R 18 0.4325 0.9609 1.2200 -0.2362 0.0380 -0.0199 19 VAL X N ? ? 1 +23891 C CA . VAL R 18 0.4500 0.9603 1.2279 -0.2408 0.0394 -0.0210 19 VAL X CA ? ? 1 +23892 C CB . VAL R 18 0.4492 0.9646 1.2345 -0.2448 0.0331 -0.0276 19 VAL X CB ? ? 1 +23893 C CG1 . VAL R 18 0.4627 0.9584 1.2345 -0.2457 0.0322 -0.0281 19 VAL X CG1 ? ? 1 +23894 C CG2 . VAL R 18 0.4491 0.9764 1.2508 -0.2551 0.0354 -0.0325 19 VAL X CG2 ? ? 1 +23895 C C . VAL R 18 0.4569 0.9498 1.2163 -0.2330 0.0390 -0.0162 19 VAL X C ? ? 1 +23896 O O . VAL R 18 0.4760 0.9507 1.2237 -0.2354 0.0441 -0.0137 19 VAL X O ? ? 1 +23897 N N . VAL R 19 0.4487 0.9469 1.2052 -0.2237 0.0330 -0.0149 20 VAL X N ? ? 1 +23898 C CA . VAL R 19 0.4518 0.9356 1.1921 -0.2156 0.0323 -0.0104 20 VAL X CA ? ? 1 +23899 C CB . VAL R 19 0.4347 0.9279 1.1753 -0.2065 0.0248 -0.0105 20 VAL X CB ? ? 1 +23900 C CG1 . VAL R 19 0.4333 0.9155 1.1594 -0.1974 0.0247 -0.0053 20 VAL X CG1 ? ? 1 +23901 C CG2 . VAL R 19 0.4367 0.9315 1.1799 -0.2078 0.0184 -0.0158 20 VAL X CG2 ? ? 1 +23902 C C . VAL R 19 0.4643 0.9393 1.1962 -0.2139 0.0392 -0.0045 20 VAL X C ? ? 1 +23903 O O . VAL R 19 0.4748 0.9313 1.1929 -0.2132 0.0424 -0.0017 20 VAL X O ? ? 1 +23904 N N . LEU R 20 0.4679 0.9556 1.2077 -0.2132 0.0415 -0.0029 21 LEU X N ? ? 1 +23905 C CA . LEU R 20 0.4859 0.9660 1.2184 -0.2121 0.0483 0.0025 21 LEU X CA ? ? 1 +23906 C CB . LEU R 20 0.4782 0.9755 1.2216 -0.2112 0.0497 0.0033 21 LEU X CB ? ? 1 +23907 C CG . LEU R 20 0.4698 0.9779 1.2140 -0.2016 0.0447 0.0052 21 LEU X CG ? ? 1 +23908 C CD1 . LEU R 20 0.4650 0.9858 1.2174 -0.2016 0.0481 0.0068 21 LEU X CD1 ? ? 1 +23909 C CD2 . LEU R 20 0.4722 0.9662 1.2001 -0.1933 0.0435 0.0098 21 LEU X CD2 ? ? 1 +23910 C C . LEU R 20 0.5154 0.9815 1.2435 -0.2207 0.0558 0.0029 21 LEU X C ? ? 1 +23911 O O . LEU R 20 0.5341 0.9836 1.2483 -0.2189 0.0602 0.0072 21 LEU X O ? ? 1 +23912 N N . GLY R 21 0.5279 1.0013 1.2683 -0.2300 0.0574 -0.0017 22 GLY X N ? ? 1 +23913 C CA . GLY R 21 0.5542 1.0156 1.2921 -0.2392 0.0648 -0.0020 22 GLY X CA ? ? 1 +23914 C C . GLY R 21 0.5862 1.0246 1.3079 -0.2392 0.0657 -0.0006 22 GLY X C ? ? 1 +23915 O O . GLY R 21 0.6051 1.0273 1.3147 -0.2399 0.0720 0.0035 22 GLY X O ? ? 1 +23916 N N . LEU R 22 0.5951 1.0319 1.3162 -0.2382 0.0594 -0.0042 23 LEU X N ? ? 1 +23917 C CA . LEU R 22 0.6180 1.0337 1.3242 -0.2379 0.0595 -0.0035 23 LEU X CA ? ? 1 +23918 C CB . LEU R 22 0.6200 1.0379 1.3276 -0.2358 0.0514 -0.0079 23 LEU X CB ? ? 1 +23919 C CG . LEU R 22 0.6311 1.0526 1.3484 -0.2450 0.0496 -0.0145 23 LEU X CG ? ? 1 +23920 C CD1 . LEU R 22 0.6451 1.0502 1.3508 -0.2441 0.0463 -0.0162 23 LEU X CD1 ? ? 1 +23921 C CD2 . LEU R 22 0.6419 1.0610 1.3651 -0.2562 0.0571 -0.0158 23 LEU X CD2 ? ? 1 +23922 C C . LEU R 22 0.6228 1.0247 1.3123 -0.2288 0.0608 0.0027 23 LEU X C ? ? 1 +23923 O O . LEU R 22 0.6541 1.0365 1.3303 -0.2302 0.0657 0.0056 23 LEU X O ? ? 1 +23924 N N . THR R 23 0.5927 1.0049 1.2830 -0.2196 0.0561 0.0047 24 THR X N ? ? 1 +23925 C CA . THR R 23 0.5855 0.9872 1.2615 -0.2106 0.0566 0.0103 24 THR X CA ? ? 1 +23926 C CB . THR R 23 0.5638 0.9813 1.2449 -0.2019 0.0515 0.0116 24 THR X CB ? ? 1 +23927 O OG1 . THR R 23 0.5568 0.9814 1.2418 -0.1987 0.0440 0.0080 24 THR X OG1 ? ? 1 +23928 C CG2 . THR R 23 0.5665 0.9747 1.2342 -0.1930 0.0523 0.0173 24 THR X CG2 ? ? 1 +23929 C C . THR R 23 0.5909 0.9810 1.2591 -0.2132 0.0648 0.0147 24 THR X C ? ? 1 +23930 O O . THR R 23 0.6021 0.9725 1.2553 -0.2118 0.0678 0.0177 24 THR X O ? ? 1 +23931 N N . PHE R 24 0.5803 0.9825 1.2585 -0.2169 0.0686 0.0151 25 PHE X N ? ? 1 +23932 C CA . PHE R 24 0.5896 0.9821 1.2606 -0.2190 0.0766 0.0194 25 PHE X CA ? ? 1 +23933 C CB . PHE R 24 0.5785 0.9888 1.2622 -0.2209 0.0792 0.0195 25 PHE X CB ? ? 1 +23934 C CG . PHE R 24 0.5671 0.9846 1.2482 -0.2107 0.0762 0.0232 25 PHE X CG ? ? 1 +23935 C CD1 . PHE R 24 0.5744 0.9794 1.2414 -0.2057 0.0798 0.0288 25 PHE X CD1 ? ? 1 +23936 C CD2 . PHE R 24 0.5488 0.9849 1.2407 -0.2061 0.0694 0.0210 25 PHE X CD2 ? ? 1 +23937 C CE1 . PHE R 24 0.5635 0.9753 1.2284 -0.1966 0.0768 0.0319 25 PHE X CE1 ? ? 1 +23938 C CE2 . PHE R 24 0.5362 0.9783 1.2255 -0.1971 0.0667 0.0243 25 PHE X CE2 ? ? 1 +23939 C CZ . PHE R 24 0.5443 0.9744 1.2203 -0.1925 0.0704 0.0296 25 PHE X CZ ? ? 1 +23940 C C . PHE R 24 0.6092 0.9844 1.2738 -0.2279 0.0829 0.0188 25 PHE X C ? ? 1 +23941 O O . PHE R 24 0.6319 0.9894 1.2822 -0.2270 0.0882 0.0231 25 PHE X O ? ? 1 +23942 N N . ALA R 25 0.6031 0.9826 1.2778 -0.2363 0.0822 0.0134 26 ALA X N ? ? 1 +23943 C CA . ALA R 25 0.6151 0.9782 1.2844 -0.2452 0.0878 0.0123 26 ALA X CA ? ? 1 +23944 C CB . ALA R 25 0.6127 0.9856 1.2964 -0.2540 0.0856 0.0055 26 ALA X CB ? ? 1 +23945 C C . ALA R 25 0.6210 0.9608 1.2711 -0.2407 0.0873 0.0149 26 ALA X C ? ? 1 +23946 O O . ALA R 25 0.6340 0.9550 1.2711 -0.2428 0.0937 0.0183 26 ALA X O ? ? 1 +23947 N N . VAL R 26 0.6132 0.9541 1.2610 -0.2341 0.0797 0.0134 27 VAL X N ? ? 1 +23948 C CA . VAL R 26 0.6281 0.9482 1.2585 -0.2290 0.0785 0.0155 27 VAL X CA ? ? 1 +23949 C CB . VAL R 26 0.6225 0.9480 1.2541 -0.2227 0.0697 0.0127 27 VAL X CB ? ? 1 +23950 C CG1 . VAL R 26 0.6371 0.9418 1.2506 -0.2163 0.0686 0.0152 27 VAL X CG1 ? ? 1 +23951 C CG2 . VAL R 26 0.6251 0.9591 1.2690 -0.2304 0.0666 0.0060 27 VAL X CG2 ? ? 1 +23952 C C . VAL R 26 0.6251 0.9332 1.2406 -0.2214 0.0817 0.0221 27 VAL X C ? ? 1 +23953 O O . VAL R 26 0.6413 0.9281 1.2419 -0.2221 0.0862 0.0249 27 VAL X O ? ? 1 +23954 N N . LEU R 27 0.6021 0.9239 1.2216 -0.2143 0.0793 0.0246 28 LEU X N ? ? 1 +23955 C CA . LEU R 27 0.5999 0.9128 1.2065 -0.2065 0.0814 0.0305 28 LEU X CA ? ? 1 +23956 C CB . LEU R 27 0.5791 0.9110 1.1937 -0.1994 0.0775 0.0319 28 LEU X CB ? ? 1 +23957 C CG . LEU R 27 0.5648 0.9061 1.1822 -0.1914 0.0690 0.0303 28 LEU X CG ? ? 1 +23958 C CD1 . LEU R 27 0.5473 0.9039 1.1697 -0.1842 0.0663 0.0325 28 LEU X CD1 ? ? 1 +23959 C CD2 . LEU R 27 0.5766 0.8998 1.1784 -0.1853 0.0668 0.0319 28 LEU X CD2 ? ? 1 +23960 C C . LEU R 27 0.6095 0.9097 1.2086 -0.2118 0.0903 0.0339 28 LEU X C ? ? 1 +23961 O O . LEU R 27 0.6190 0.9004 1.2014 -0.2078 0.0931 0.0382 28 LEU X O ? ? 1 +23962 N N . ILE R 28 0.6065 0.9172 1.2179 -0.2206 0.0949 0.0320 29 ILE X N ? ? 1 +23963 C CA . ILE R 28 0.6189 0.9181 1.2242 -0.2267 0.1040 0.0348 29 ILE X CA ? ? 1 +23964 C CB . ILE R 28 0.6100 0.9258 1.2323 -0.2357 0.1083 0.0321 29 ILE X CB ? ? 1 +23965 C CG1 . ILE R 28 0.5929 0.9301 1.2257 -0.2300 0.1052 0.0329 29 ILE X CG1 ? ? 1 +23966 C CG2 . ILE R 28 0.6255 0.9276 1.2409 -0.2431 0.1184 0.0347 29 ILE X CG2 ? ? 1 +23967 C CD1 . ILE R 28 0.5838 0.9416 1.2366 -0.2378 0.1072 0.0290 29 ILE X CD1 ? ? 1 +23968 C C . ILE R 28 0.6408 0.9163 1.2332 -0.2316 0.1078 0.0348 29 ILE X C ? ? 1 +23969 O O . ILE R 28 0.6576 0.9142 1.2344 -0.2307 0.1133 0.0393 29 ILE X O ? ? 1 +23970 N N . ALA R 29 0.6438 0.9200 1.2421 -0.2365 0.1046 0.0298 30 ALA X N ? ? 1 +23971 C CA . ALA R 29 0.6694 0.9236 1.2564 -0.2419 0.1080 0.0292 30 ALA X CA ? ? 1 +23972 C CB . ALA R 29 0.6653 0.9251 1.2621 -0.2471 0.1033 0.0228 30 ALA X CB ? ? 1 +23973 C C . ALA R 29 0.6890 0.9221 1.2551 -0.2327 0.1069 0.0337 30 ALA X C ? ? 1 +23974 O O . ALA R 29 0.7152 0.9271 1.2666 -0.2346 0.1131 0.0370 30 ALA X O ? ? 1 +23975 N N . ILE R 30 0.6799 0.9192 1.2450 -0.2226 0.0991 0.0339 31 ILE X N ? ? 1 +23976 C CA . ILE R 30 0.6944 0.9165 1.2416 -0.2129 0.0969 0.0376 31 ILE X CA ? ? 1 +23977 C CB . ILE R 30 0.6836 0.9178 1.2348 -0.2033 0.0878 0.0362 31 ILE X CB ? ? 1 +23978 C CG1 . ILE R 30 0.6868 0.9258 1.2464 -0.2076 0.0832 0.0302 31 ILE X CG1 ? ? 1 +23979 C CG2 . ILE R 30 0.6883 0.9072 1.2221 -0.1922 0.0856 0.0404 31 ILE X CG2 ? ? 1 +23980 C CD1 . ILE R 30 0.6724 0.9256 1.2379 -0.1992 0.0746 0.0284 31 ILE X CD1 ? ? 1 +23981 C C . ILE R 30 0.7034 0.9161 1.2382 -0.2077 0.1014 0.0439 31 ILE X C ? ? 1 +23982 O O . ILE R 30 0.7224 0.9130 1.2395 -0.2047 0.1040 0.0473 31 ILE X O ? ? 1 +23983 N N . SER R 31 0.6925 0.9217 1.2362 -0.2064 0.1020 0.0453 32 SER X N ? ? 1 +23984 C CA . SER R 31 0.7012 0.9234 1.2342 -0.2015 0.1059 0.0510 32 SER X CA ? ? 1 +23985 C CB . SER R 31 0.6810 0.9254 1.2272 -0.2003 0.1052 0.0513 32 SER X CB ? ? 1 +23986 O OG . SER R 31 0.6815 0.9356 1.2406 -0.2110 0.1105 0.0488 32 SER X OG ? ? 1 +23987 C C . SER R 31 0.7268 0.9292 1.2485 -0.2087 0.1152 0.0535 32 SER X C ? ? 1 +23988 O O . SER R 31 0.7357 0.9219 1.2410 -0.2037 0.1182 0.0585 32 SER X O ? ? 1 +23989 N N . GLN R 32 0.7428 0.9467 1.2735 -0.2204 0.1196 0.0499 33 GLN X N ? ? 1 +23990 C CA . GLN R 32 0.7754 0.9608 1.2967 -0.2286 0.1288 0.0516 33 GLN X CA ? ? 1 +23991 C CB . GLN R 32 0.7726 0.9699 1.3110 -0.2417 0.1330 0.0469 33 GLN X CB ? ? 1 +23992 C CG . GLN R 32 0.7537 0.9745 1.3081 -0.2431 0.1341 0.0465 33 GLN X CG ? ? 1 +23993 C CD . GLN R 32 0.7668 0.9797 1.3131 -0.2446 0.1425 0.0512 33 GLN X CD ? ? 1 +23994 O OE1 . GLN R 32 0.7919 0.9833 1.3241 -0.2486 0.1496 0.0539 33 GLN X OE1 ? ? 1 +23995 N NE2 . GLN R 32 0.7535 0.9838 1.3086 -0.2417 0.1423 0.0524 33 GLN X NE2 ? ? 1 +23996 C C . GLN R 32 0.8072 0.9662 1.3105 -0.2278 0.1297 0.0527 33 GLN X C ? ? 1 +23997 O O . GLN R 32 0.8313 0.9694 1.3183 -0.2283 0.1360 0.0569 33 GLN X O ? ? 1 +23998 N N . ILE R 33 0.8109 0.9704 1.3166 -0.2263 0.1234 0.0491 34 ILE X N ? ? 1 +23999 C CA . ILE R 33 0.8401 0.9752 1.3293 -0.2250 0.1236 0.0497 34 ILE X CA ? ? 1 +24000 C CB . ILE R 33 0.8358 0.9761 1.3327 -0.2262 0.1172 0.0441 34 ILE X CB ? ? 1 +24001 C CG1 . ILE R 33 0.8383 0.9878 1.3508 -0.2397 0.1200 0.0386 34 ILE X CG1 ? ? 1 +24002 C CG2 . ILE R 33 0.8551 0.9706 1.3334 -0.2217 0.1160 0.0452 34 ILE X CG2 ? ? 1 +24003 C CD1 . ILE R 33 0.8384 0.9899 1.3571 -0.2427 0.1147 0.0328 34 ILE X CD1 ? ? 1 +24004 C C . ILE R 33 0.8565 0.9776 1.3273 -0.2125 0.1215 0.0551 34 ILE X C ? ? 1 +24005 O O . ILE R 33 0.8849 0.9822 1.3376 -0.2119 0.1263 0.0587 34 ILE X O ? ? 1 +24006 N N . ASP R 34 0.8479 0.9840 1.3237 -0.2025 0.1141 0.0554 35 ASP X N ? ? 1 +24007 C CA . ASP R 34 0.8516 0.9772 1.3123 -0.1900 0.1104 0.0594 35 ASP X CA ? ? 1 +24008 C CB . ASP R 34 0.8345 0.9725 1.3020 -0.1825 0.1012 0.0565 35 ASP X CB ? ? 1 +24009 C CG . ASP R 34 0.8429 0.9710 1.2963 -0.1696 0.0967 0.0599 35 ASP X CG ? ? 1 +24010 O OD1 . ASP R 34 0.8626 0.9700 1.2984 -0.1664 0.1005 0.0642 35 ASP X OD1 ? ? 1 +24011 O OD2 . ASP R 34 0.8302 0.9714 1.2902 -0.1626 0.0895 0.0581 35 ASP X OD2 ? ? 1 +24012 C C . ASP R 34 0.8486 0.9790 1.3060 -0.1842 0.1120 0.0642 35 ASP X C ? ? 1 +24013 O O . ASP R 34 0.8274 0.9722 1.2897 -0.1757 0.1061 0.0649 35 ASP X O ? ? 1 +24014 N N . LYS R 35 0.8712 0.9886 1.3195 -0.1889 0.1200 0.0676 36 LYS X N ? ? 1 +24015 C CA . LYS R 35 0.8757 0.9958 1.3196 -0.1842 0.1222 0.0722 36 LYS X CA ? ? 1 +24016 C CB . LYS R 35 0.8902 0.9984 1.3279 -0.1928 0.1322 0.0746 36 LYS X CB ? ? 1 +24017 C CG . LYS R 35 0.8875 1.0096 1.3430 -0.2055 0.1364 0.0703 36 LYS X CG ? ? 1 +24018 C CD . LYS R 35 0.9039 1.0197 1.3556 -0.2123 0.1459 0.0731 36 LYS X CD ? ? 1 +24019 C CE . LYS R 35 0.9037 1.0306 1.3720 -0.2256 0.1509 0.0688 36 LYS X CE ? ? 1 +24020 N NZ . LYS R 35 0.9263 1.0387 1.3916 -0.2337 0.1532 0.0659 36 LYS X NZ ? ? 1 +24021 C C . LYS R 35 0.8953 1.0026 1.3218 -0.1714 0.1187 0.0767 36 LYS X C ? ? 1 +24022 O O . LYS R 35 0.9228 1.0133 1.3369 -0.1672 0.1167 0.0771 36 LYS X O ? ? 1 +24023 N N . VAL R 36 0.8965 1.0123 1.3224 -0.1650 0.1177 0.0799 37 VAL X N ? ? 1 +24024 C CA . VAL R 36 0.9133 1.0185 1.3235 -0.1529 0.1145 0.0843 37 VAL X CA ? ? 1 +24025 C CB . VAL R 36 0.8921 1.0180 1.3109 -0.1454 0.1094 0.0851 37 VAL X CB ? ? 1 +24026 C CG1 . VAL R 36 0.9054 1.0220 1.3095 -0.1325 0.1049 0.0889 37 VAL X CG1 ? ? 1 +24027 C CG2 . VAL R 36 0.8640 1.0146 1.3033 -0.1460 0.1031 0.0802 37 VAL X CG2 ? ? 1 +24028 C C . VAL R 36 0.9509 1.0320 1.3415 -0.1540 0.1220 0.0891 37 VAL X C ? ? 1 +24029 O O . VAL R 36 0.9539 1.0345 1.3466 -0.1623 0.1292 0.0899 37 VAL X O ? ? 1 +24030 N N . GLN R 37 0.9823 1.0436 1.3541 -0.1453 0.1202 0.0924 38 GLN X N ? ? 1 +24031 C CA . GLN R 37 1.0172 1.0542 1.3682 -0.1445 0.1266 0.0974 38 GLN X CA ? ? 1 +24032 C CB . GLN R 37 1.0598 1.0723 1.3916 -0.1380 0.1248 0.0992 38 GLN X CB ? ? 1 +24033 C CG . GLN R 37 1.0791 1.0861 1.4145 -0.1432 0.1239 0.0950 38 GLN X CG ? ? 1 +24034 C CD . GLN R 37 1.1016 1.1016 1.4400 -0.1574 0.1322 0.0932 38 GLN X CD ? ? 1 +24035 O OE1 . GLN R 37 1.1322 1.1074 1.4548 -0.1607 0.1376 0.0950 38 GLN X OE1 ? ? 1 +24036 N NE2 . GLN R 37 1.0846 1.1062 1.4433 -0.1661 0.1333 0.0896 38 GLN X NE2 ? ? 1 +24037 C C . GLN R 37 1.0031 1.0448 1.3489 -0.1372 0.1259 0.1015 38 GLN X C ? ? 1 +24038 O O . GLN R 37 0.9902 1.0443 1.3398 -0.1277 0.1186 0.1016 38 GLN X O ? ? 1 +24039 N N . ARG R 38 1.0156 1.0473 1.3531 -0.1420 0.1339 0.1048 39 ARG X N ? ? 1 +24040 C CA . ARG R 38 1.0223 1.0522 1.3500 -0.1350 0.1344 0.1093 39 ARG X CA ? ? 1 +24041 C CB . ARG R 38 0.9958 1.0479 1.3393 -0.1398 0.1365 0.1084 39 ARG X CB ? ? 1 +24042 C CG . ARG R 38 0.9598 1.0404 1.3242 -0.1371 0.1289 0.1046 39 ARG X CG ? ? 1 +24043 C CD . ARG R 38 0.9426 1.0415 1.3185 -0.1403 0.1315 0.1047 39 ARG X CD ? ? 1 +24044 N NE . ARG R 38 0.9130 1.0392 1.3090 -0.1383 0.1248 0.1011 39 ARG X NE ? ? 1 +24045 C CZ . ARG R 38 0.8920 1.0344 1.3068 -0.1452 0.1236 0.0962 39 ARG X CZ ? ? 1 +24046 N NH1 . ARG R 38 0.9008 1.0378 1.3192 -0.1559 0.1294 0.0941 39 ARG X NH1 ? ? 1 +24047 N NH2 . ARG R 38 0.8684 1.0330 1.2984 -0.1414 0.1164 0.0934 39 ARG X NH2 ? ? 1 +24048 C C . ARG R 38 1.0737 1.0747 1.3782 -0.1362 0.1421 0.1141 39 ARG X C ? ? 1 +24049 O O . ARG R 38 1.0953 1.0912 1.3890 -0.1317 0.1441 0.1182 39 ARG X O ? ? 1 +24050 O OXT . ARG R 38 1.1020 1.0844 1.3980 -0.1418 0.1466 0.1139 39 ARG X OXT ? ? 1 +24051 N N . VAL S 1 1.2900 1.5269 1.6939 0.0206 -0.0156 -0.0622 18 VAL Y N ? ? 1 +24052 C CA . VAL S 1 1.2894 1.5357 1.7046 0.0147 -0.0180 -0.0591 18 VAL Y CA ? ? 1 +24053 C CB . VAL S 1 1.3072 1.5592 1.7247 0.0072 -0.0227 -0.0607 18 VAL Y CB ? ? 1 +24054 C CG1 . VAL S 1 1.2686 1.5343 1.6994 0.0025 -0.0243 -0.0571 18 VAL Y CG1 ? ? 1 +24055 C CG2 . VAL S 1 1.3089 1.5659 1.7226 0.0097 -0.0224 -0.0625 18 VAL Y CG2 ? ? 1 +24056 C C . VAL S 1 1.2733 1.5091 1.6876 0.0124 -0.0185 -0.0584 18 VAL Y C ? ? 1 +24057 O O . VAL S 1 1.2543 1.4963 1.6770 0.0125 -0.0175 -0.0546 18 VAL Y O ? ? 1 +24058 N N . ILE S 2 1.2575 1.4770 1.6612 0.0101 -0.0199 -0.0620 19 ILE Y N ? ? 1 +24059 C CA . ILE S 2 1.2461 1.4520 1.6457 0.0097 -0.0192 -0.0618 19 ILE Y CA ? ? 1 +24060 C CB . ILE S 2 1.2426 1.4307 1.6299 0.0059 -0.0214 -0.0666 19 ILE Y CB ? ? 1 +24061 C CG1 . ILE S 2 1.2303 1.4206 1.6210 -0.0041 -0.0263 -0.0685 19 ILE Y CG1 ? ? 1 +24062 C CG2 . ILE S 2 1.2353 1.4065 1.6151 0.0079 -0.0195 -0.0667 19 ILE Y CG2 ? ? 1 +24063 C CD1 . ILE S 2 1.2217 1.4159 1.6216 -0.0102 -0.0273 -0.0655 19 ILE Y CD1 ? ? 1 +24064 C C . ILE S 2 1.2370 1.4396 1.6342 0.0189 -0.0147 -0.0599 19 ILE Y C ? ? 1 +24065 O O . ILE S 2 1.2216 1.4204 1.6207 0.0201 -0.0135 -0.0573 19 ILE Y O ? ? 1 +24066 N N . ALA S 3 1.2156 1.4194 1.6083 0.0255 -0.0123 -0.0614 20 ALA Y N ? ? 1 +24067 C CA . ALA S 3 1.1980 1.4008 1.5894 0.0348 -0.0079 -0.0601 20 ALA Y CA ? ? 1 +24068 C CB . ALA S 3 1.1959 1.4009 1.5823 0.0403 -0.0055 -0.0624 20 ALA Y CB ? ? 1 +24069 C C . ALA S 3 1.1720 1.3892 1.5760 0.0369 -0.0065 -0.0552 20 ALA Y C ? ? 1 +24070 O O . ALA S 3 1.2034 1.4160 1.6076 0.0410 -0.0048 -0.0532 20 ALA Y O ? ? 1 +24071 N N . GLN S 4 1.1093 1.3432 1.5234 0.0342 -0.0075 -0.0534 21 GLN Y N ? ? 1 +24072 C CA . GLN S 4 1.0712 1.3197 1.4975 0.0359 -0.0063 -0.0490 21 GLN Y CA ? ? 1 +24073 C CB . GLN S 4 1.0341 1.2995 1.4696 0.0320 -0.0077 -0.0478 21 GLN Y CB ? ? 1 +24074 C CG . GLN S 4 1.0088 1.2798 1.4421 0.0358 -0.0057 -0.0497 21 GLN Y CG ? ? 1 +24075 C CD . GLN S 4 0.9677 1.2528 1.4082 0.0313 -0.0076 -0.0488 21 GLN Y CD ? ? 1 +24076 O OE1 . GLN S 4 0.9372 1.2230 1.3794 0.0241 -0.0114 -0.0491 21 GLN Y OE1 ? ? 1 +24077 N NE2 . GLN S 4 0.9421 1.2385 1.3869 0.0353 -0.0048 -0.0478 21 GLN Y NE2 ? ? 1 +24078 C C . GLN S 4 1.0644 1.3095 1.4943 0.0328 -0.0077 -0.0463 21 GLN Y C ? ? 1 +24079 O O . GLN S 4 1.0563 1.3040 1.4902 0.0377 -0.0057 -0.0434 21 GLN Y O ? ? 1 +24080 N N . LEU S 5 1.0320 1.2710 1.4602 0.0246 -0.0109 -0.0473 22 LEU Y N ? ? 1 +24081 C CA . LEU S 5 1.0046 1.2395 1.4356 0.0204 -0.0121 -0.0450 22 LEU Y CA ? ? 1 +24082 C CB . LEU S 5 1.0077 1.2410 1.4395 0.0104 -0.0158 -0.0465 22 LEU Y CB ? ? 1 +24083 C CG . LEU S 5 0.9993 1.2498 1.4419 0.0054 -0.0181 -0.0453 22 LEU Y CG ? ? 1 +24084 C CD1 . LEU S 5 0.9997 1.2538 1.4395 0.0048 -0.0194 -0.0486 22 LEU Y CD1 ? ? 1 +24085 C CD2 . LEU S 5 0.9988 1.2489 1.4457 -0.0036 -0.0209 -0.0449 22 LEU Y CD2 ? ? 1 +24086 C C . LEU S 5 0.9937 1.2113 1.4154 0.0243 -0.0104 -0.0453 22 LEU Y C ? ? 1 +24087 O O . LEU S 5 0.9681 1.1836 1.3924 0.0244 -0.0099 -0.0423 22 LEU Y O ? ? 1 +24088 N N . THR S 6 1.0061 1.2107 1.4165 0.0274 -0.0095 -0.0489 23 THR Y N ? ? 1 +24089 C CA . THR S 6 1.0355 1.2235 1.4363 0.0325 -0.0076 -0.0494 23 THR Y CA ? ? 1 +24090 C CB . THR S 6 1.0503 1.2237 1.4382 0.0338 -0.0074 -0.0542 23 THR Y CB ? ? 1 +24091 O OG1 . THR S 6 1.0604 1.2302 1.4460 0.0248 -0.0107 -0.0570 23 THR Y OG1 ? ? 1 +24092 C CG2 . THR S 6 1.0656 1.2199 1.4424 0.0385 -0.0055 -0.0550 23 THR Y CG2 ? ? 1 +24093 C C . THR S 6 1.0305 1.2243 1.4348 0.0421 -0.0044 -0.0467 23 THR Y C ? ? 1 +24094 O O . THR S 6 1.0427 1.2296 1.4455 0.0451 -0.0034 -0.0445 23 THR Y O ? ? 1 +24095 N N . MET S 7 1.0045 1.2110 1.4133 0.0469 -0.0028 -0.0470 24 MET Y N ? ? 1 +24096 C CA . MET S 7 0.9957 1.2091 1.4084 0.0562 0.0003 -0.0451 24 MET Y CA ? ? 1 +24097 C CB . MET S 7 1.0066 1.2336 1.4238 0.0596 0.0022 -0.0461 24 MET Y CB ? ? 1 +24098 C CG . MET S 7 1.0309 1.2487 1.4374 0.0616 0.0034 -0.0506 24 MET Y CG ? ? 1 +24099 S SD . MET S 7 1.0848 1.2828 1.4779 0.0696 0.0059 -0.0530 24 MET Y SD ? ? 1 +24100 C CE . MET S 7 1.1138 1.2925 1.4962 0.0611 0.0024 -0.0553 24 MET Y CE ? ? 1 +24101 C C . MET S 7 0.9622 1.1856 1.3853 0.0561 -0.0001 -0.0405 24 MET Y C ? ? 1 +24102 O O . MET S 7 0.9475 1.1668 1.3698 0.0620 0.0012 -0.0387 24 MET Y O ? ? 1 +24103 N N . ILE S 8 0.9301 1.1665 1.3627 0.0494 -0.0021 -0.0387 25 ILE Y N ? ? 1 +24104 C CA . ILE S 8 0.9238 1.1707 1.3664 0.0490 -0.0026 -0.0345 25 ILE Y CA ? ? 1 +24105 C CB . ILE S 8 0.9207 1.1844 1.3742 0.0425 -0.0045 -0.0331 25 ILE Y CB ? ? 1 +24106 C CG1 . ILE S 8 0.9055 1.1819 1.3699 0.0434 -0.0045 -0.0287 25 ILE Y CG1 ? ? 1 +24107 C CG2 . ILE S 8 0.9143 1.1727 1.3655 0.0328 -0.0075 -0.0345 25 ILE Y CG2 ? ? 1 +24108 C CD1 . ILE S 8 0.8888 1.1741 1.3581 0.0528 -0.0019 -0.0273 25 ILE Y CD1 ? ? 1 +24109 C C . ILE S 8 0.9274 1.1614 1.3657 0.0468 -0.0036 -0.0328 25 ILE Y C ? ? 1 +24110 O O . ILE S 8 0.9344 1.1712 1.3766 0.0503 -0.0030 -0.0295 25 ILE Y O ? ? 1 +24111 N N . ALA S 9 0.9216 1.1414 1.3515 0.0409 -0.0050 -0.0350 26 ALA Y N ? ? 1 +24112 C CA . ALA S 9 0.9069 1.1120 1.3310 0.0385 -0.0054 -0.0338 26 ALA Y CA ? ? 1 +24113 C CB . ALA S 9 0.9167 1.1090 1.3333 0.0304 -0.0071 -0.0369 26 ALA Y CB ? ? 1 +24114 C C . ALA S 9 0.8972 1.0902 1.3134 0.0474 -0.0032 -0.0334 26 ALA Y C ? ? 1 +24115 O O . ALA S 9 0.8924 1.0813 1.3085 0.0493 -0.0028 -0.0304 26 ALA Y O ? ? 1 +24116 N N . MET S 10 0.8984 1.0855 1.3076 0.0533 -0.0016 -0.0365 27 MET Y N ? ? 1 +24117 C CA . MET S 10 0.9117 1.0874 1.3131 0.0625 0.0005 -0.0366 27 MET Y CA ? ? 1 +24118 C CB . MET S 10 0.9460 1.1135 1.3384 0.0666 0.0020 -0.0410 27 MET Y CB ? ? 1 +24119 C CG . MET S 10 0.9806 1.1297 1.3614 0.0605 0.0008 -0.0442 27 MET Y CG ? ? 1 +24120 S SD . MET S 10 1.0358 1.1710 1.4033 0.0663 0.0027 -0.0493 27 MET Y SD ? ? 1 +24121 C CE . MET S 10 1.0154 1.1702 1.3910 0.0675 0.0034 -0.0507 27 MET Y CE ? ? 1 +24122 C C . MET S 10 0.8833 1.0721 1.2933 0.0705 0.0019 -0.0335 27 MET Y C ? ? 1 +24123 O O . MET S 10 0.8888 1.0705 1.2958 0.0759 0.0025 -0.0315 27 MET Y O ? ? 1 +24124 N N . ILE S 11 0.8506 1.0584 1.2711 0.0713 0.0022 -0.0332 28 ILE Y N ? ? 1 +24125 C CA . ILE S 11 0.8157 1.0382 1.2460 0.0778 0.0032 -0.0305 28 ILE Y CA ? ? 1 +24126 C CB . ILE S 11 0.7938 1.0349 1.2335 0.0783 0.0042 -0.0314 28 ILE Y CB ? ? 1 +24127 C CG1 . ILE S 11 0.7970 1.0331 1.2298 0.0831 0.0065 -0.0354 28 ILE Y CG1 ? ? 1 +24128 C CG2 . ILE S 11 0.7857 1.0436 1.2371 0.0834 0.0048 -0.0285 28 ILE Y CG2 ? ? 1 +24129 C CD1 . ILE S 11 0.7809 1.0318 1.2201 0.0817 0.0075 -0.0367 28 ILE Y CD1 ? ? 1 +24130 C C . ILE S 11 0.7863 1.0134 1.2229 0.0744 0.0014 -0.0263 28 ILE Y C ? ? 1 +24131 O O . ILE S 11 0.7627 0.9914 1.2016 0.0805 0.0018 -0.0239 28 ILE Y O ? ? 1 +24132 N N . GLY S 12 0.7730 1.0017 1.2121 0.0646 -0.0006 -0.0258 29 GLY Y N ? ? 1 +24133 C CA . GLY S 12 0.7640 0.9972 1.2089 0.0603 -0.0021 -0.0220 29 GLY Y CA ? ? 1 +24134 C C . GLY S 12 0.7815 0.9984 1.2183 0.0617 -0.0021 -0.0202 29 GLY Y C ? ? 1 +24135 O O . GLY S 12 0.7933 1.0142 1.2344 0.0621 -0.0027 -0.0166 29 GLY Y O ? ? 1 +24136 N N . ILE S 13 0.7906 0.9885 1.2149 0.0625 -0.0014 -0.0226 30 ILE Y N ? ? 1 +24137 C CA . ILE S 13 0.7948 0.9748 1.2097 0.0634 -0.0012 -0.0210 30 ILE Y CA ? ? 1 +24138 C CB . ILE S 13 0.8226 0.9831 1.2254 0.0579 -0.0012 -0.0242 30 ILE Y CB ? ? 1 +24139 C CG1 . ILE S 13 0.8403 0.9836 1.2351 0.0542 -0.0013 -0.0223 30 ILE Y CG1 ? ? 1 +24140 C CG2 . ILE S 13 0.8375 0.9872 1.2307 0.0651 0.0003 -0.0277 30 ILE Y CG2 ? ? 1 +24141 C CD1 . ILE S 13 0.8318 0.9819 1.2338 0.0453 -0.0025 -0.0195 30 ILE Y CD1 ? ? 1 +24142 C C . ILE S 13 0.7825 0.9584 1.1938 0.0750 0.0001 -0.0200 30 ILE Y C ? ? 1 +24143 O O . ILE S 13 0.7792 0.9459 1.1860 0.0774 0.0001 -0.0174 30 ILE Y O ? ? 1 +24144 N N . ALA S 14 0.7691 0.9520 1.1823 0.0822 0.0014 -0.0222 31 ALA Y N ? ? 1 +24145 C CA . ALA S 14 0.7684 0.9478 1.1784 0.0936 0.0027 -0.0219 31 ALA Y CA ? ? 1 +24146 C CB . ALA S 14 0.7642 0.9554 1.1791 0.0996 0.0043 -0.0245 31 ALA Y CB ? ? 1 +24147 C C . ALA S 14 0.7549 0.9413 1.1708 0.0978 0.0018 -0.0177 31 ALA Y C ? ? 1 +24148 O O . ALA S 14 0.7676 0.9424 1.1764 0.1045 0.0020 -0.0165 31 ALA Y O ? ? 1 +24149 N N . GLY S 15 0.7276 0.9325 1.1561 0.0940 0.0007 -0.0156 32 GLY Y N ? ? 1 +24150 C CA . GLY S 15 0.7110 0.9241 1.1458 0.0973 -0.0004 -0.0118 32 GLY Y CA ? ? 1 +24151 C C . GLY S 15 0.7190 0.9168 1.1458 0.0950 -0.0013 -0.0089 32 GLY Y C ? ? 1 +24152 O O . GLY S 15 0.7231 0.9130 1.1446 0.1026 -0.0014 -0.0074 32 GLY Y O ? ? 1 +24153 N N . PRO S 16 0.7205 0.9137 1.1460 0.0845 -0.0020 -0.0082 33 PRO Y N ? ? 1 +24154 C CA . PRO S 16 0.7374 0.9149 1.1546 0.0814 -0.0022 -0.0056 33 PRO Y CA ? ? 1 +24155 C CB . PRO S 16 0.7283 0.9057 1.1472 0.0689 -0.0026 -0.0061 33 PRO Y CB ? ? 1 +24156 C CG . PRO S 16 0.7066 0.9050 1.1382 0.0662 -0.0033 -0.0073 33 PRO Y CG ? ? 1 +24157 C CD . PRO S 16 0.7077 0.9112 1.1401 0.0752 -0.0024 -0.0097 33 PRO Y CD ? ? 1 +24158 C C . PRO S 16 0.7722 0.9265 1.1741 0.0862 -0.0011 -0.0066 33 PRO Y C ? ? 1 +24159 O O . PRO S 16 0.7820 0.9242 1.1767 0.0889 -0.0012 -0.0040 33 PRO Y O ? ? 1 +24160 N N . MET S 17 0.7944 0.9423 1.1912 0.0873 -0.0001 -0.0105 34 MET Y N ? ? 1 +24161 C CA . MET S 17 0.8283 0.9542 1.2105 0.0919 0.0011 -0.0121 34 MET Y CA ? ? 1 +24162 C CB . MET S 17 0.8627 0.9852 1.2412 0.0917 0.0021 -0.0169 34 MET Y CB ? ? 1 +24163 C CG . MET S 17 0.9140 1.0113 1.2763 0.0931 0.0032 -0.0189 34 MET Y CG ? ? 1 +24164 S SD . MET S 17 0.9841 1.0631 1.3378 0.0814 0.0029 -0.0174 34 MET Y SD ? ? 1 +24165 C CE . MET S 17 0.9561 1.0466 1.3181 0.0686 0.0019 -0.0203 34 MET Y CE ? ? 1 +24166 C C . MET S 17 0.8173 0.9408 1.1967 0.1043 0.0012 -0.0105 34 MET Y C ? ? 1 +24167 O O . MET S 17 0.8268 0.9315 1.1943 0.1078 0.0016 -0.0094 34 MET Y O ? ? 1 +24168 N N . ILE S 18 0.7888 0.9312 1.1790 0.1109 0.0009 -0.0105 35 ILE Y N ? ? 1 +24169 C CA . ILE S 18 0.7875 0.9308 1.1773 0.1227 0.0006 -0.0091 35 ILE Y CA ? ? 1 +24170 C CB . ILE S 18 0.7715 0.9383 1.1753 0.1286 0.0005 -0.0100 35 ILE Y CB ? ? 1 +24171 C CG1 . ILE S 18 0.7721 0.9424 1.1768 0.1294 0.0024 -0.0144 35 ILE Y CG1 ? ? 1 +24172 C CG2 . ILE S 18 0.7745 0.9438 1.1793 0.1407 -0.0002 -0.0085 35 ILE Y CG2 ? ? 1 +24173 C CD1 . ILE S 18 0.7517 0.9460 1.1711 0.1319 0.0027 -0.0153 35 ILE Y CD1 ? ? 1 +24174 C C . ILE S 18 0.7823 0.9203 1.1697 0.1228 -0.0008 -0.0047 35 ILE Y C ? ? 1 +24175 O O . ILE S 18 0.7966 0.9193 1.1736 0.1297 -0.0009 -0.0035 35 ILE Y O ? ? 1 +24176 N N . ILE S 19 0.7595 0.9096 1.1558 0.1153 -0.0019 -0.0023 36 ILE Y N ? ? 1 +24177 C CA . ILE S 19 0.7570 0.9035 1.1515 0.1150 -0.0031 0.0020 36 ILE Y CA ? ? 1 +24178 C CB . ILE S 19 0.7317 0.8957 1.1385 0.1068 -0.0042 0.0041 36 ILE Y CB ? ? 1 +24179 C CG1 . ILE S 19 0.7095 0.8983 1.1315 0.1103 -0.0050 0.0032 36 ILE Y CG1 ? ? 1 +24180 C CG2 . ILE S 19 0.7327 0.8915 1.1365 0.1062 -0.0052 0.0085 36 ILE Y CG2 ? ? 1 +24181 C CD1 . ILE S 19 0.7117 0.9054 1.1353 0.1233 -0.0058 0.0033 36 ILE Y CD1 ? ? 1 +24182 C C . ILE S 19 0.7822 0.9032 1.1612 0.1115 -0.0022 0.0030 36 ILE Y C ? ? 1 +24183 O O . ILE S 19 0.7912 0.9008 1.1623 0.1166 -0.0026 0.0057 36 ILE Y O ? ? 1 +24184 N N . PHE S 20 0.7979 0.9101 1.1725 0.1029 -0.0009 0.0006 37 PHE Y N ? ? 1 +24185 C CA . PHE S 20 0.8233 0.9117 1.1838 0.0980 0.0002 0.0010 37 PHE Y CA ? ? 1 +24186 C CB . PHE S 20 0.8263 0.9117 1.1866 0.0869 0.0011 -0.0021 37 PHE Y CB ? ? 1 +24187 C CG . PHE S 20 0.8525 0.9144 1.1995 0.0804 0.0024 -0.0020 37 PHE Y CG ? ? 1 +24188 C CD1 . PHE S 20 0.8565 0.9135 1.2022 0.0736 0.0027 0.0014 37 PHE Y CD1 ? ? 1 +24189 C CD2 . PHE S 20 0.8747 0.9186 1.2101 0.0810 0.0036 -0.0054 37 PHE Y CD2 ? ? 1 +24190 C CE1 . PHE S 20 0.8768 0.9118 1.2103 0.0674 0.0043 0.0014 37 PHE Y CE1 ? ? 1 +24191 C CE2 . PHE S 20 0.8954 0.9173 1.2185 0.0748 0.0049 -0.0053 37 PHE Y CE2 ? ? 1 +24192 C CZ . PHE S 20 0.8971 0.9148 1.2196 0.0678 0.0054 -0.0020 37 PHE Y CZ ? ? 1 +24193 C C . PHE S 20 0.8465 0.9149 1.1928 0.1075 0.0011 0.0001 37 PHE Y C ? ? 1 +24194 O O . PHE S 20 0.8583 0.9086 1.1932 0.1086 0.0015 0.0025 37 PHE Y O ? ? 1 +24195 N N . LEU S 21 0.8546 0.9262 1.2016 0.1143 0.0014 -0.0032 38 LEU Y N ? ? 1 +24196 C CA . LEU S 21 0.8794 0.9339 1.2139 0.1243 0.0022 -0.0044 38 LEU Y CA ? ? 1 +24197 C CB . LEU S 21 0.8805 0.9422 1.2181 0.1305 0.0029 -0.0086 38 LEU Y CB ? ? 1 +24198 C CG . LEU S 21 0.8881 0.9436 1.2220 0.1233 0.0042 -0.0128 38 LEU Y CG ? ? 1 +24199 C CD1 . LEU S 21 0.8969 0.9522 1.2286 0.1321 0.0054 -0.0166 38 LEU Y CD1 ? ? 1 +24200 C CD2 . LEU S 21 0.9073 0.9374 1.2265 0.1164 0.0052 -0.0130 38 LEU Y CD2 ? ? 1 +24201 C C . LEU S 21 0.8846 0.9375 1.2169 0.1345 0.0010 -0.0009 38 LEU Y C ? ? 1 +24202 O O . LEU S 21 0.9055 0.9378 1.2239 0.1396 0.0014 0.0000 38 LEU Y O ? ? 1 +24203 N N . LEU S 22 0.8758 0.9504 1.2215 0.1375 -0.0007 0.0008 39 LEU Y N ? ? 1 +24204 C CA . LEU S 22 0.8922 0.9674 1.2370 0.1471 -0.0024 0.0040 39 LEU Y CA ? ? 1 +24205 C CB . LEU S 22 0.8657 0.9683 1.2276 0.1510 -0.0041 0.0044 39 LEU Y CB ? ? 1 +24206 C CG . LEU S 22 0.8556 0.9702 1.2241 0.1609 -0.0041 0.0013 39 LEU Y CG ? ? 1 +24207 C CD1 . LEU S 22 0.8771 0.9754 1.2337 0.1728 -0.0041 0.0008 39 LEU Y CD1 ? ? 1 +24208 C CD2 . LEU S 22 0.8510 0.9710 1.2235 0.1559 -0.0021 -0.0026 39 LEU Y CD2 ? ? 1 +24209 C C . LEU S 22 0.9133 0.9758 1.2504 0.1425 -0.0027 0.0082 39 LEU Y C ? ? 1 +24210 O O . LEU S 22 0.9319 0.9816 1.2593 0.1501 -0.0035 0.0105 39 LEU Y O ? ? 1 +24211 N N . ALA S 23 0.9198 0.9860 1.2610 0.1302 -0.0022 0.0092 40 ALA Y N ? ? 1 +24212 C CA . ALA S 23 0.9413 0.9954 1.2754 0.1245 -0.0019 0.0130 40 ALA Y CA ? ? 1 +24213 C CB . ALA S 23 0.9279 0.9926 1.2710 0.1112 -0.0014 0.0133 40 ALA Y CB ? ? 1 +24214 C C . ALA S 23 0.9837 1.0085 1.2991 0.1242 -0.0001 0.0131 40 ALA Y C ? ? 1 +24215 O O . ALA S 23 1.0070 1.0177 1.3123 0.1274 -0.0002 0.0165 40 ALA Y O ? ? 1 +24216 N N . VAL S 24 1.0047 1.0200 1.3151 0.1205 0.0015 0.0094 41 VAL Y N ? ? 1 +24217 C CA . VAL S 24 1.0424 1.0296 1.3352 0.1200 0.0034 0.0089 41 VAL Y CA ? ? 1 +24218 C CB . VAL S 24 1.0455 1.0277 1.3368 0.1129 0.0049 0.0043 41 VAL Y CB ? ? 1 +24219 C CG1 . VAL S 24 1.0734 1.0290 1.3472 0.1170 0.0065 0.0024 41 VAL Y CG1 ? ? 1 +24220 C CG2 . VAL S 24 1.0368 1.0215 1.3325 0.0980 0.0057 0.0043 41 VAL Y CG2 ? ? 1 +24221 C C . VAL S 24 1.0803 1.0537 1.3618 0.1337 0.0030 0.0095 41 VAL Y C ? ? 1 +24222 O O . VAL S 24 1.1007 1.0527 1.3679 0.1351 0.0038 0.0119 41 VAL Y O ? ? 1 +24223 N N . ARG S 25 1.1040 1.0896 1.3917 0.1436 0.0018 0.0072 42 ARG Y N ? ? 1 +24224 C CA . ARG S 25 1.1361 1.1126 1.4156 0.1577 0.0011 0.0074 42 ARG Y CA ? ? 1 +24225 C CB . ARG S 25 1.1499 1.1398 1.4373 0.1651 0.0009 0.0032 42 ARG Y CB ? ? 1 +24226 C CG . ARG S 25 1.1830 1.1655 1.4666 0.1600 0.0030 -0.0013 42 ARG Y CG ? ? 1 +24227 C CD . ARG S 25 1.1993 1.1941 1.4895 0.1688 0.0032 -0.0051 42 ARG Y CD ? ? 1 +24228 N NE . ARG S 25 1.2443 1.2297 1.5265 0.1830 0.0027 -0.0050 42 ARG Y NE ? ? 1 +24229 C CZ . ARG S 25 1.2679 1.2592 1.5527 0.1926 0.0031 -0.0082 42 ARG Y CZ ? ? 1 +24230 N NH1 . ARG S 25 1.2788 1.2838 1.5726 0.1897 0.0044 -0.0118 42 ARG Y NH1 ? ? 1 +24231 N NH2 . ARG S 25 1.2731 1.2559 1.5508 0.2056 0.0024 -0.0078 42 ARG Y NH2 ? ? 1 +24232 C C . ARG S 25 1.1344 1.1185 1.4169 0.1658 -0.0014 0.0113 42 ARG Y C ? ? 1 +24233 O O . ARG S 25 1.1383 1.1207 1.4178 0.1785 -0.0027 0.0112 42 ARG Y O ? ? 1 +24234 N N . ARG S 26 1.1338 1.1268 1.4227 0.1585 -0.0021 0.0146 43 ARG Y N ? ? 1 +24235 C CA . ARG S 26 1.1409 1.1427 1.4336 0.1646 -0.0046 0.0183 43 ARG Y CA ? ? 1 +24236 C CB . ARG S 26 1.1919 1.1686 1.4667 0.1685 -0.0045 0.0219 43 ARG Y CB ? ? 1 +24237 C CG . ARG S 26 1.2217 1.1825 1.4879 0.1560 -0.0020 0.0240 43 ARG Y CG ? ? 1 +24238 C CD . ARG S 26 1.2761 1.2096 1.5229 0.1601 -0.0013 0.0273 43 ARG Y CD ? ? 1 +24239 N NE . ARG S 26 1.3060 1.2438 1.5528 0.1663 -0.0037 0.0314 43 ARG Y NE ? ? 1 +24240 C CZ . ARG S 26 1.3479 1.2660 1.5792 0.1742 -0.0042 0.0345 43 ARG Y CZ ? ? 1 +24241 N NH1 . ARG S 26 1.3724 1.2654 1.5870 0.1783 -0.0027 0.0338 43 ARG Y NH1 ? ? 1 +24242 N NH2 . ARG S 26 1.3465 1.2700 1.5786 0.1782 -0.0065 0.0383 43 ARG Y NH2 ? ? 1 +24243 C C . ARG S 26 1.1152 1.1353 1.4181 0.1768 -0.0070 0.0169 43 ARG Y C ? ? 1 +24244 O O . ARG S 26 1.1357 1.1500 1.4326 0.1881 -0.0088 0.0183 43 ARG Y O ? ? 1 +24245 N N . GLY S 27 1.0743 1.1162 1.3924 0.1744 -0.0069 0.0139 44 GLY Y N ? ? 1 +24246 C CA . GLY S 27 1.0425 1.1029 1.3716 0.1847 -0.0086 0.0119 44 GLY Y CA ? ? 1 +24247 C C . GLY S 27 1.0064 1.0884 1.3488 0.1866 -0.0113 0.0143 44 GLY Y C ? ? 1 +24248 O O . GLY S 27 0.9953 1.0760 1.3367 0.1812 -0.0122 0.0178 44 GLY Y O ? ? 1 +24249 N N . ASN S 28 0.9837 1.0858 1.3388 0.1940 -0.0126 0.0121 45 ASN Y N ? ? 1 +24250 C CA . ASN S 28 0.9656 1.0885 1.3335 0.1977 -0.0155 0.0138 45 ASN Y CA ? ? 1 +24251 C CB . ASN S 28 0.9888 1.1212 1.3620 0.2112 -0.0169 0.0114 45 ASN Y CB ? ? 1 +24252 C CG . ASN S 28 0.9941 1.1420 1.3762 0.2187 -0.0206 0.0131 45 ASN Y CG ? ? 1 +24253 O OD1 . ASN S 28 1.0064 1.1569 1.3895 0.2149 -0.0224 0.0165 45 ASN Y OD1 ? ? 1 +24254 N ND2 . ASN S 28 0.9964 1.1551 1.3853 0.2297 -0.0217 0.0106 45 ASN Y ND2 ? ? 1 +24255 C C . ASN S 28 0.9230 1.0677 1.3066 0.1874 -0.0151 0.0134 45 ASN Y C ? ? 1 +24256 O O . ASN S 28 0.9054 1.0715 1.3033 0.1902 -0.0156 0.0113 45 ASN Y O ? ? 1 +24257 N N . LEU S 29 0.9040 1.0428 1.2847 0.1757 -0.0141 0.0154 46 LEU Y N ? ? 1 +24258 C CA . LEU S 29 0.8670 1.0246 1.2612 0.1657 -0.0139 0.0157 46 LEU Y CA ? ? 1 +24259 C CB . LEU S 29 0.8672 1.0123 1.2546 0.1533 -0.0122 0.0173 46 LEU Y CB ? ? 1 +24260 C CG . LEU S 29 0.8727 1.0050 1.2532 0.1472 -0.0095 0.0145 46 LEU Y CG ? ? 1 +24261 C CD1 . LEU S 29 0.8769 0.9960 1.2502 0.1357 -0.0081 0.0165 46 LEU Y CD1 ? ? 1 +24262 C CD2 . LEU S 29 0.8527 1.0031 1.2459 0.1441 -0.0086 0.0109 46 LEU Y CD2 ? ? 1 +24263 C C . LEU S 29 0.8509 1.0252 1.2550 0.1683 -0.0168 0.0182 46 LEU Y C ? ? 1 +24264 O O . LEU S 29 0.8283 1.0242 1.2472 0.1647 -0.0173 0.0175 46 LEU Y O ? ? 1 +24265 O OXT . LEU S 29 0.8702 1.0358 1.2670 0.1740 -0.0188 0.0210 46 LEU Y OXT ? ? 1 +24266 N N . MET T 1 1.1828 1.2619 1.4079 0.1655 0.0699 -0.1135 1 MET Z N ? ? 1 +24267 C CA . MET T 1 1.1675 1.2649 1.4099 0.1705 0.0734 -0.1100 1 MET Z CA ? ? 1 +24268 C CB . MET T 1 1.1718 1.2819 1.4179 0.1756 0.0807 -0.1106 1 MET Z CB ? ? 1 +24269 C CG . MET T 1 1.1640 1.2937 1.4283 0.1809 0.0847 -0.1076 1 MET Z CG ? ? 1 +24270 S SD . MET T 1 1.1957 1.3187 1.4618 0.1908 0.0858 -0.1079 1 MET Z SD ? ? 1 +24271 C CE . MET T 1 1.1826 1.2979 1.4377 0.2010 0.0939 -0.1125 1 MET Z CE ? ? 1 +24272 C C . MET T 1 1.1399 1.2513 1.3970 0.1629 0.0685 -0.1055 1 MET Z C ? ? 1 +24273 O O . MET T 1 1.1286 1.2465 1.3967 0.1650 0.0675 -0.1026 1 MET Z O ? ? 1 +24274 N N . THR T 2 1.1264 1.2422 1.3833 0.1544 0.0653 -0.1049 2 THR Z N ? ? 1 +24275 C CA . THR T 2 1.1112 1.2395 1.3808 0.1467 0.0604 -0.1009 2 THR Z CA ? ? 1 +24276 C CB . THR T 2 1.1038 1.2342 1.3697 0.1384 0.0573 -0.1014 2 THR Z CB ? ? 1 +24277 O OG1 . THR T 2 1.1026 1.2422 1.3688 0.1414 0.0629 -0.1019 2 THR Z OG1 ? ? 1 +24278 C CG2 . THR T 2 1.0802 1.2228 1.3587 0.1301 0.0520 -0.0974 2 THR Z CG2 ? ? 1 +24279 C C . THR T 2 1.1222 1.2412 1.3923 0.1437 0.0549 -0.0998 2 THR Z C ? ? 1 +24280 O O . THR T 2 1.1089 1.2390 1.3923 0.1415 0.0527 -0.0959 2 THR Z O ? ? 1 +24281 N N . ILE T 3 1.1483 1.2466 1.4034 0.1437 0.0529 -0.1031 3 ILE Z N ? ? 1 +24282 C CA . ILE T 3 1.1447 1.2321 1.3985 0.1407 0.0481 -0.1023 3 ILE Z CA ? ? 1 +24283 C CB . ILE T 3 1.1762 1.2404 1.4117 0.1377 0.0451 -0.1066 3 ILE Z CB ? ? 1 +24284 C CG1 . ILE T 3 1.1803 1.2442 1.4120 0.1276 0.0401 -0.1078 3 ILE Z CG1 ? ? 1 +24285 C CG2 . ILE T 3 1.1850 1.2350 1.4173 0.1371 0.0419 -0.1062 3 ILE Z CG2 ? ? 1 +24286 C CD1 . ILE T 3 1.1750 1.2489 1.4055 0.1275 0.0429 -0.1089 3 ILE Z CD1 ? ? 1 +24287 C C . ILE T 3 1.1186 1.2081 1.3793 0.1488 0.0508 -0.1003 3 ILE Z C ? ? 1 +24288 O O . ILE T 3 1.1126 1.2065 1.3825 0.1463 0.0477 -0.0969 3 ILE Z O ? ? 1 +24289 N N . LEU T 4 1.0926 1.1797 1.3494 0.1585 0.0565 -0.1023 4 LEU Z N ? ? 1 +24290 C CA . LEU T 4 1.0774 1.1664 1.3402 0.1672 0.0591 -0.1009 4 LEU Z CA ? ? 1 +24291 C CB . LEU T 4 1.0790 1.1639 1.3352 0.1777 0.0656 -0.1042 4 LEU Z CB ? ? 1 +24292 C CG . LEU T 4 1.0828 1.1655 1.3418 0.1879 0.0682 -0.1037 4 LEU Z CG ? ? 1 +24293 C CD1 . LEU T 4 1.1013 1.1743 1.3495 0.1972 0.0739 -0.1079 4 LEU Z CD1 ? ? 1 +24294 C CD2 . LEU T 4 1.0624 1.1674 1.3402 0.1917 0.0704 -0.1002 4 LEU Z CD2 ? ? 1 +24295 C C . LEU T 4 1.0493 1.1607 1.3316 0.1671 0.0593 -0.0963 4 LEU Z C ? ? 1 +24296 O O . LEU T 4 1.0503 1.1634 1.3395 0.1696 0.0579 -0.0937 4 LEU Z O ? ? 1 +24297 N N . PHE T 5 1.0163 1.1445 1.3069 0.1640 0.0610 -0.0953 5 PHE Z N ? ? 1 +24298 C CA . PHE T 5 0.9787 1.1283 1.2874 0.1624 0.0607 -0.0911 5 PHE Z CA ? ? 1 +24299 C CB . PHE T 5 0.9575 1.1220 1.2714 0.1593 0.0634 -0.0909 5 PHE Z CB ? ? 1 +24300 C CG . PHE T 5 0.9237 1.1093 1.2551 0.1556 0.0625 -0.0867 5 PHE Z CG ? ? 1 +24301 C CD1 . PHE T 5 0.9122 1.1137 1.2570 0.1619 0.0665 -0.0851 5 PHE Z CD1 ? ? 1 +24302 C CD2 . PHE T 5 0.9083 1.0979 1.2429 0.1459 0.0574 -0.0846 5 PHE Z CD2 ? ? 1 +24303 C CE1 . PHE T 5 0.8894 1.1100 1.2500 0.1584 0.0655 -0.0814 5 PHE Z CE1 ? ? 1 +24304 C CE2 . PHE T 5 0.8871 1.0955 1.2374 0.1426 0.0566 -0.0808 5 PHE Z CE2 ? ? 1 +24305 C CZ . PHE T 5 0.8785 1.1020 1.2414 0.1488 0.0606 -0.0792 5 PHE Z CZ ? ? 1 +24306 C C . PHE T 5 0.9652 1.1150 1.2790 0.1543 0.0543 -0.0879 5 PHE Z C ? ? 1 +24307 O O . PHE T 5 0.9486 1.1050 1.2723 0.1563 0.0532 -0.0848 5 PHE Z O ? ? 1 +24308 N N . GLN T 6 0.9662 1.1089 1.2730 0.1453 0.0501 -0.0887 6 GLN Z N ? ? 1 +24309 C CA . GLN T 6 0.9521 1.0949 1.2633 0.1367 0.0441 -0.0860 6 GLN Z CA ? ? 1 +24310 C CB . GLN T 6 0.9648 1.1004 1.2674 0.1277 0.0403 -0.0880 6 GLN Z CB ? ? 1 +24311 C CG . GLN T 6 0.9546 1.1078 1.2668 0.1219 0.0395 -0.0861 6 GLN Z CG ? ? 1 +24312 C CD . GLN T 6 0.9696 1.1158 1.2716 0.1153 0.0368 -0.0889 6 GLN Z CD ? ? 1 +24313 O OE1 . GLN T 6 0.9903 1.1188 1.2781 0.1148 0.0355 -0.0925 6 GLN Z OE1 ? ? 1 +24314 N NE2 . GLN T 6 0.9611 1.1211 1.2702 0.1103 0.0358 -0.0873 6 GLN Z NE2 ? ? 1 +24315 C C . GLN T 6 0.9466 1.0762 1.2545 0.1380 0.0415 -0.0853 6 GLN Z C ? ? 1 +24316 O O . GLN T 6 0.9341 1.0682 1.2500 0.1335 0.0379 -0.0820 6 GLN Z O ? ? 1 +24317 N N . LEU T 7 0.9563 1.0690 1.2517 0.1442 0.0434 -0.0883 7 LEU Z N ? ? 1 +24318 C CA . LEU T 7 0.9607 1.0598 1.2519 0.1471 0.0419 -0.0877 7 LEU Z CA ? ? 1 +24319 C CB . LEU T 7 0.9889 1.0664 1.2628 0.1523 0.0437 -0.0921 7 LEU Z CB ? ? 1 +24320 C CG . LEU T 7 1.0059 1.0658 1.2657 0.1442 0.0401 -0.0953 7 LEU Z CG ? ? 1 +24321 C CD1 . LEU T 7 1.0331 1.0701 1.2763 0.1496 0.0414 -0.0991 7 LEU Z CD1 ? ? 1 +24322 C CD2 . LEU T 7 0.9958 1.0543 1.2593 0.1341 0.0343 -0.0928 7 LEU Z CD2 ? ? 1 +24323 C C . LEU T 7 0.9385 1.0495 1.2419 0.1545 0.0439 -0.0844 7 LEU Z C ? ? 1 +24324 O O . LEU T 7 0.9231 1.0353 1.2324 0.1523 0.0409 -0.0812 7 LEU Z O ? ? 1 +24325 N N . ALA T 8 0.9309 1.0510 1.2382 0.1632 0.0490 -0.0854 8 ALA Z N ? ? 1 +24326 C CA . ALA T 8 0.9154 1.0488 1.2354 0.1707 0.0511 -0.0828 8 ALA Z CA ? ? 1 +24327 C CB . ALA T 8 0.9142 1.0580 1.2378 0.1790 0.0572 -0.0847 8 ALA Z CB ? ? 1 +24328 C C . ALA T 8 0.8890 1.0405 1.2246 0.1650 0.0483 -0.0783 8 ALA Z C ? ? 1 +24329 O O . ALA T 8 0.8849 1.0408 1.2281 0.1681 0.0470 -0.0755 8 ALA Z O ? ? 1 +24330 N N . LEU T 9 0.8698 1.0311 1.2096 0.1570 0.0472 -0.0778 9 LEU Z N ? ? 1 +24331 C CA . LEU T 9 0.8497 1.0281 1.2039 0.1512 0.0447 -0.0738 9 LEU Z CA ? ? 1 +24332 C CB . LEU T 9 0.8390 1.0294 1.1971 0.1450 0.0453 -0.0742 9 LEU Z CB ? ? 1 +24333 C CG . LEU T 9 0.8176 1.0276 1.1912 0.1398 0.0435 -0.0702 9 LEU Z CG ? ? 1 +24334 C CD1 . LEU T 9 0.8105 1.0355 1.1976 0.1468 0.0459 -0.0679 9 LEU Z CD1 ? ? 1 +24335 C CD2 . LEU T 9 0.8069 1.0271 1.1827 0.1348 0.0447 -0.0709 9 LEU Z CD2 ? ? 1 +24336 C C . LEU T 9 0.8482 1.0182 1.2009 0.1443 0.0392 -0.0716 9 LEU Z C ? ? 1 +24337 O O . LEU T 9 0.8374 1.0172 1.2009 0.1433 0.0372 -0.0679 9 LEU Z O ? ? 1 +24338 N N . ALA T 10 0.8573 1.0093 1.1968 0.1393 0.0367 -0.0738 10 ALA Z N ? ? 1 +24339 C CA . ALA T 10 0.8544 0.9964 1.1913 0.1329 0.0320 -0.0721 10 ALA Z CA ? ? 1 +24340 C CB . ALA T 10 0.8713 0.9962 1.1945 0.1261 0.0296 -0.0753 10 ALA Z CB ? ? 1 +24341 C C . ALA T 10 0.8557 0.9887 1.1907 0.1397 0.0322 -0.0707 10 ALA Z C ? ? 1 +24342 O O . ALA T 10 0.8484 0.9818 1.1880 0.1367 0.0293 -0.0675 10 ALA Z O ? ? 1 +24343 N N . ALA T 11 0.8627 0.9874 1.1906 0.1492 0.0357 -0.0732 11 ALA Z N ? ? 1 +24344 C CA . ALA T 11 0.8645 0.9812 1.1904 0.1572 0.0362 -0.0720 11 ALA Z CA ? ? 1 +24345 C CB . ALA T 11 0.8779 0.9850 1.1947 0.1673 0.0404 -0.0756 11 ALA Z CB ? ? 1 +24346 C C . ALA T 11 0.8452 0.9805 1.1869 0.1608 0.0362 -0.0681 11 ALA Z C ? ? 1 +24347 O O . ALA T 11 0.8513 0.9822 1.1940 0.1622 0.0341 -0.0654 11 ALA Z O ? ? 1 +24348 N N . LEU T 12 0.8212 0.9767 1.1746 0.1621 0.0386 -0.0677 12 LEU Z N ? ? 1 +24349 C CA . LEU T 12 0.7949 0.9698 1.1642 0.1647 0.0386 -0.0643 12 LEU Z CA ? ? 1 +24350 C CB . LEU T 12 0.7771 0.9719 1.1568 0.1664 0.0423 -0.0651 12 LEU Z CB ? ? 1 +24351 C CG . LEU T 12 0.7536 0.9704 1.1507 0.1684 0.0425 -0.0620 12 LEU Z CG ? ? 1 +24352 C CD1 . LEU T 12 0.7582 0.9763 1.1590 0.1792 0.0436 -0.0614 12 LEU Z CD1 ? ? 1 +24353 C CD2 . LEU T 12 0.7394 0.9736 1.1449 0.1680 0.0463 -0.0631 12 LEU Z CD2 ? ? 1 +24354 C C . LEU T 12 0.7788 0.9585 1.1545 0.1558 0.0341 -0.0605 12 LEU Z C ? ? 1 +24355 O O . LEU T 12 0.7708 0.9546 1.1529 0.1582 0.0324 -0.0574 12 LEU Z O ? ? 1 +24356 N N . VAL T 13 0.7748 0.9539 1.1486 0.1458 0.0320 -0.0608 13 VAL Z N ? ? 1 +24357 C CA . VAL T 13 0.7651 0.9481 1.1444 0.1369 0.0279 -0.0575 13 VAL Z CA ? ? 1 +24358 C CB . VAL T 13 0.7581 0.9421 1.1355 0.1268 0.0263 -0.0588 13 VAL Z CB ? ? 1 +24359 C CG1 . VAL T 13 0.7480 0.9318 1.1284 0.1172 0.0219 -0.0560 13 VAL Z CG1 ? ? 1 +24360 C CG2 . VAL T 13 0.7452 0.9481 1.1320 0.1268 0.0287 -0.0591 13 VAL Z CG2 ? ? 1 +24361 C C . VAL T 13 0.7835 0.9501 1.1556 0.1362 0.0252 -0.0561 13 VAL Z C ? ? 1 +24362 O O . VAL T 13 0.7749 0.9471 1.1542 0.1346 0.0230 -0.0524 13 VAL Z O ? ? 1 +24363 N N . ILE T 14 0.8091 0.9547 1.1663 0.1374 0.0254 -0.0589 14 ILE Z N ? ? 1 +24364 C CA . ILE T 14 0.8236 0.9511 1.1720 0.1369 0.0233 -0.0578 14 ILE Z CA ? ? 1 +24365 C CB . ILE T 14 0.8476 0.9520 1.1789 0.1370 0.0239 -0.0618 14 ILE Z CB ? ? 1 +24366 C CG1 . ILE T 14 0.8475 0.9489 1.1746 0.1266 0.0221 -0.0641 14 ILE Z CG1 ? ? 1 +24367 C CG2 . ILE T 14 0.8654 0.9500 1.1868 0.1386 0.0226 -0.0608 14 ILE Z CG2 ? ? 1 +24368 C CD1 . ILE T 14 0.8381 0.9418 1.1700 0.1156 0.0182 -0.0616 14 ILE Z CD1 ? ? 1 +24369 C C . ILE T 14 0.8284 0.9576 1.1805 0.1464 0.0241 -0.0554 14 ILE Z C ? ? 1 +24370 O O . ILE T 14 0.8300 0.9588 1.1852 0.1444 0.0217 -0.0519 14 ILE Z O ? ? 1 +24371 N N . LEU T 15 0.8288 0.9602 1.1806 0.1568 0.0274 -0.0573 15 LEU Z N ? ? 1 +24372 C CA . LEU T 15 0.8306 0.9643 1.1859 0.1669 0.0281 -0.0555 15 LEU Z CA ? ? 1 +24373 C CB . LEU T 15 0.8350 0.9732 1.1908 0.1776 0.0323 -0.0584 15 LEU Z CB ? ? 1 +24374 C CG . LEU T 15 0.8343 0.9786 1.1961 0.1890 0.0331 -0.0570 15 LEU Z CG ? ? 1 +24375 C CD1 . LEU T 15 0.8525 0.9762 1.2028 0.1933 0.0313 -0.0561 15 LEU Z CD1 ? ? 1 +24376 C CD2 . LEU T 15 0.8370 0.9884 1.2012 0.1985 0.0375 -0.0603 15 LEU Z CD2 ? ? 1 +24377 C C . LEU T 15 0.8146 0.9677 1.1854 0.1656 0.0264 -0.0514 15 LEU Z C ? ? 1 +24378 O O . LEU T 15 0.8196 0.9698 1.1912 0.1688 0.0246 -0.0485 15 LEU Z O ? ? 1 +24379 N N . SER T 16 0.7967 0.9689 1.1789 0.1609 0.0269 -0.0511 16 SER Z N ? ? 1 +24380 C CA . SER T 16 0.7763 0.9677 1.1734 0.1592 0.0253 -0.0475 16 SER Z CA ? ? 1 +24381 C CB . SER T 16 0.7549 0.9652 1.1625 0.1542 0.0265 -0.0480 16 SER Z CB ? ? 1 +24382 O OG . SER T 16 0.7539 0.9712 1.1635 0.1612 0.0306 -0.0509 16 SER Z OG ? ? 1 +24383 C C . SER T 16 0.7812 0.9664 1.1772 0.1518 0.0214 -0.0441 16 SER Z C ? ? 1 +24384 O O . SER T 16 0.7801 0.9702 1.1818 0.1547 0.0198 -0.0409 16 SER Z O ? ? 1 +24385 N N . PHE T 17 0.7923 0.9666 1.1806 0.1425 0.0199 -0.0449 17 PHE Z N ? ? 1 +24386 C CA . PHE T 17 0.7929 0.9614 1.1802 0.1344 0.0166 -0.0420 17 PHE Z CA ? ? 1 +24387 C CB . PHE T 17 0.8015 0.9610 1.1819 0.1240 0.0154 -0.0440 17 PHE Z CB ? ? 1 +24388 C CG . PHE T 17 0.8010 0.9581 1.1828 0.1143 0.0123 -0.0412 17 PHE Z CG ? ? 1 +24389 C CD1 . PHE T 17 0.7875 0.9621 1.1815 0.1080 0.0108 -0.0390 17 PHE Z CD1 ? ? 1 +24390 C CD2 . PHE T 17 0.8225 0.9595 1.1932 0.1116 0.0110 -0.0409 17 PHE Z CD2 ? ? 1 +24391 C CE1 . PHE T 17 0.7935 0.9661 1.1889 0.0992 0.0081 -0.0366 17 PHE Z CE1 ? ? 1 +24392 C CE2 . PHE T 17 0.8248 0.9598 1.1970 0.1025 0.0086 -0.0385 17 PHE Z CE2 ? ? 1 +24393 C CZ . PHE T 17 0.8081 0.9612 1.1929 0.0964 0.0072 -0.0364 17 PHE Z CZ ? ? 1 +24394 C C . PHE T 17 0.8109 0.9625 1.1894 0.1389 0.0157 -0.0404 17 PHE Z C ? ? 1 +24395 O O . PHE T 17 0.8107 0.9624 1.1919 0.1360 0.0135 -0.0370 17 PHE Z O ? ? 1 +24396 N N . VAL T 18 0.8308 0.9672 1.1981 0.1463 0.0175 -0.0430 18 VAL Z N ? ? 1 +24397 C CA . VAL T 18 0.8502 0.9700 1.2084 0.1521 0.0169 -0.0416 18 VAL Z CA ? ? 1 +24398 C CB . VAL T 18 0.8773 0.9773 1.2208 0.1579 0.0189 -0.0454 18 VAL Z CB ? ? 1 +24399 C CG1 . VAL T 18 0.8951 0.9764 1.2281 0.1638 0.0183 -0.0438 18 VAL Z CG1 ? ? 1 +24400 C CG2 . VAL T 18 0.8871 0.9754 1.2215 0.1488 0.0188 -0.0484 18 VAL Z CG2 ? ? 1 +24401 C C . VAL T 18 0.8455 0.9775 1.2129 0.1612 0.0167 -0.0389 18 VAL Z C ? ? 1 +24402 O O . VAL T 18 0.8480 0.9739 1.2135 0.1622 0.0148 -0.0358 18 VAL Z O ? ? 1 +24403 N N . MET T 19 0.8365 0.9858 1.2138 0.1676 0.0187 -0.0403 19 MET Z N ? ? 1 +24404 C CA . MET T 19 0.8293 0.9921 1.2165 0.1764 0.0185 -0.0383 19 MET Z CA ? ? 1 +24405 C CB . MET T 19 0.8198 1.0000 1.2167 0.1827 0.0216 -0.0409 19 MET Z CB ? ? 1 +24406 C CG . MET T 19 0.8361 1.0049 1.2235 0.1909 0.0246 -0.0447 19 MET Z CG ? ? 1 +24407 S SD . MET T 19 0.8502 1.0090 1.2323 0.2049 0.0243 -0.0443 19 MET Z SD ? ? 1 +24408 C CE . MET T 19 0.8335 1.0201 1.2349 0.2118 0.0246 -0.0432 19 MET Z CE ? ? 1 +24409 C C . MET T 19 0.8083 0.9853 1.2069 0.1708 0.0157 -0.0343 19 MET Z C ? ? 1 +24410 O O . MET T 19 0.8125 0.9927 1.2147 0.1762 0.0141 -0.0316 19 MET Z O ? ? 1 +24411 N N . VAL T 20 0.7851 0.9706 1.1891 0.1603 0.0152 -0.0339 20 VAL Z N ? ? 1 +24412 C CA . VAL T 20 0.7618 0.9610 1.1765 0.1542 0.0128 -0.0304 20 VAL Z CA ? ? 1 +24413 C CB . VAL T 20 0.7479 0.9568 1.1680 0.1436 0.0129 -0.0311 20 VAL Z CB ? ? 1 +24414 C CG1 . VAL T 20 0.7377 0.9515 1.1631 0.1346 0.0100 -0.0276 20 VAL Z CG1 ? ? 1 +24415 C CG2 . VAL T 20 0.7336 0.9626 1.1652 0.1463 0.0151 -0.0328 20 VAL Z CG2 ? ? 1 +24416 C C . VAL T 20 0.7647 0.9503 1.1726 0.1517 0.0102 -0.0271 20 VAL Z C ? ? 1 +24417 O O . VAL T 20 0.7563 0.9507 1.1714 0.1528 0.0083 -0.0238 20 VAL Z O ? ? 1 +24418 N N . ILE T 21 0.7743 0.9383 1.1682 0.1483 0.0101 -0.0280 21 ILE Z N ? ? 1 +24419 C CA . ILE T 21 0.7775 0.9260 1.1632 0.1459 0.0083 -0.0252 21 ILE Z CA ? ? 1 +24420 C CB . ILE T 21 0.7899 0.9201 1.1640 0.1365 0.0083 -0.0266 21 ILE Z CB ? ? 1 +24421 C CG1 . ILE T 21 0.7746 0.9171 1.1568 0.1254 0.0077 -0.0273 21 ILE Z CG1 ? ? 1 +24422 C CG2 . ILE T 21 0.8033 0.9158 1.1680 0.1339 0.0069 -0.0237 21 ILE Z CG2 ? ? 1 +24423 C CD1 . ILE T 21 0.7866 0.9138 1.1591 0.1161 0.0075 -0.0293 21 ILE Z CD1 ? ? 1 +24424 C C . ILE T 21 0.7881 0.9250 1.1662 0.1573 0.0084 -0.0245 21 ILE Z C ? ? 1 +24425 O O . ILE T 21 0.7877 0.9208 1.1646 0.1590 0.0066 -0.0211 21 ILE Z O ? ? 1 +24426 N N . GLY T 22 0.7997 0.9311 1.1726 0.1653 0.0105 -0.0278 22 GLY Z N ? ? 1 +24427 C CA . GLY T 22 0.8169 0.9344 1.1806 0.1762 0.0107 -0.0278 22 GLY Z CA ? ? 1 +24428 C C . GLY T 22 0.8137 0.9448 1.1867 0.1856 0.0094 -0.0255 22 GLY Z C ? ? 1 +24429 O O . GLY T 22 0.8267 0.9474 1.1936 0.1901 0.0077 -0.0229 22 GLY Z O ? ? 1 +24430 N N . VAL T 23 0.7983 0.9521 1.1856 0.1885 0.0102 -0.0266 23 VAL Z N ? ? 1 +24431 C CA . VAL T 23 0.7924 0.9605 1.1894 0.1983 0.0092 -0.0254 23 VAL Z CA ? ? 1 +24432 C CB . VAL T 23 0.7744 0.9674 1.1873 0.1998 0.0110 -0.0275 23 VAL Z CB ? ? 1 +24433 C CG1 . VAL T 23 0.7639 0.9746 1.1893 0.2075 0.0094 -0.0259 23 VAL Z CG1 ? ? 1 +24434 C CG2 . VAL T 23 0.7825 0.9721 1.1914 0.2050 0.0146 -0.0319 23 VAL Z CG2 ? ? 1 +24435 C C . VAL T 23 0.7867 0.9573 1.1868 0.1962 0.0059 -0.0209 23 VAL Z C ? ? 1 +24436 O O . VAL T 23 0.7924 0.9561 1.1881 0.2043 0.0042 -0.0192 23 VAL Z O ? ? 1 +24437 N N . PRO T 24 0.7778 0.9576 1.1847 0.1854 0.0048 -0.0188 24 PRO Z N ? ? 1 +24438 C CA . PRO T 24 0.7768 0.9591 1.1864 0.1832 0.0018 -0.0146 24 PRO Z CA ? ? 1 +24439 C CB . PRO T 24 0.7592 0.9510 1.1758 0.1702 0.0016 -0.0136 24 PRO Z CB ? ? 1 +24440 C CG . PRO T 24 0.7506 0.9526 1.1729 0.1680 0.0041 -0.0172 24 PRO Z CG ? ? 1 +24441 C CD . PRO T 24 0.7665 0.9539 1.1781 0.1752 0.0062 -0.0204 24 PRO Z CD ? ? 1 +24442 C C . PRO T 24 0.8047 0.9631 1.1989 0.1846 0.0006 -0.0123 24 PRO Z C ? ? 1 +24443 O O . PRO T 24 0.8084 0.9658 1.2020 0.1905 -0.0016 -0.0095 24 PRO Z O ? ? 1 +24444 N N . VAL T 25 0.8264 0.9652 1.2079 0.1790 0.0020 -0.0135 25 VAL Z N ? ? 1 +24445 C CA . VAL T 25 0.8513 0.9655 1.2170 0.1792 0.0014 -0.0116 25 VAL Z CA ? ? 1 +24446 C CB . VAL T 25 0.8646 0.9605 1.2188 0.1704 0.0032 -0.0135 25 VAL Z CB ? ? 1 +24447 C CG1 . VAL T 25 0.8882 0.9576 1.2256 0.1707 0.0030 -0.0117 25 VAL Z CG1 ? ? 1 +24448 C CG2 . VAL T 25 0.8491 0.9547 1.2108 0.1570 0.0031 -0.0132 25 VAL Z CG2 ? ? 1 +24449 C C . VAL T 25 0.8749 0.9791 1.2330 0.1929 0.0012 -0.0119 25 VAL Z C ? ? 1 +24450 O O . VAL T 25 0.8895 0.9823 1.2401 0.1968 -0.0005 -0.0089 25 VAL Z O ? ? 1 +24451 N N . ALA T 26 0.8840 0.9925 1.2440 0.2004 0.0029 -0.0156 26 ALA Z N ? ? 1 +24452 C CA . ALA T 26 0.9106 1.0117 1.2648 0.2141 0.0027 -0.0164 26 ALA Z CA ? ? 1 +24453 C CB . ALA T 26 0.9134 1.0180 1.2689 0.2195 0.0055 -0.0211 26 ALA Z CB ? ? 1 +24454 C C . ALA T 26 0.9133 1.0302 1.2778 0.2222 0.0001 -0.0141 26 ALA Z C ? ? 1 +24455 O O . ALA T 26 0.9322 1.0378 1.2887 0.2302 -0.0017 -0.0122 26 ALA Z O ? ? 1 +24456 N N . TYR T 27 0.8995 1.0421 1.2813 0.2201 -0.0003 -0.0143 27 TYR Z N ? ? 1 +24457 C CA . TYR T 27 0.8961 1.0555 1.2890 0.2274 -0.0029 -0.0126 27 TYR Z CA ? ? 1 +24458 C CB . TYR T 27 0.8642 1.0519 1.2763 0.2235 -0.0025 -0.0137 27 TYR Z CB ? ? 1 +24459 C CG . TYR T 27 0.8570 1.0584 1.2779 0.2302 0.0000 -0.0178 27 TYR Z CG ? ? 1 +24460 C CD1 . TYR T 27 0.8742 1.0696 1.2906 0.2428 0.0004 -0.0199 27 TYR Z CD1 ? ? 1 +24461 C CD2 . TYR T 27 0.8386 1.0586 1.2720 0.2241 0.0020 -0.0197 27 TYR Z CD2 ? ? 1 +24462 C CE1 . TYR T 27 0.8680 1.0763 1.2928 0.2489 0.0031 -0.0238 27 TYR Z CE1 ? ? 1 +24463 C CE2 . TYR T 27 0.8339 1.0663 1.2752 0.2300 0.0048 -0.0234 27 TYR Z CE2 ? ? 1 +24464 C CZ . TYR T 27 0.8479 1.0745 1.2850 0.2423 0.0054 -0.0255 27 TYR Z CZ ? ? 1 +24465 O OH . TYR T 27 0.8515 1.0903 1.2965 0.2481 0.0085 -0.0293 27 TYR Z OH ? ? 1 +24466 C C . TYR T 27 0.9164 1.0690 1.3048 0.2255 -0.0061 -0.0080 27 TYR Z C ? ? 1 +24467 O O . TYR T 27 0.9202 1.0761 1.3102 0.2346 -0.0088 -0.0065 27 TYR Z O ? ? 1 +24468 N N . ALA T 28 0.9361 1.0793 1.3189 0.2139 -0.0059 -0.0059 28 ALA Z N ? ? 1 +24469 C CA . ALA T 28 0.9563 1.0933 1.3349 0.2106 -0.0084 -0.0015 28 ALA Z CA ? ? 1 +24470 C CB . ALA T 28 0.9337 1.0814 1.3205 0.1972 -0.0082 0.0000 28 ALA Z CB ? ? 1 +24471 C C . ALA T 28 1.0127 1.1203 1.3716 0.2112 -0.0082 0.0002 28 ALA Z C ? ? 1 +24472 O O . ALA T 28 1.0215 1.1206 1.3748 0.2067 -0.0094 0.0039 28 ALA Z O ? ? 1 +24473 N N . SER T 29 1.0713 1.1633 1.4196 0.2166 -0.0063 -0.0025 29 SER Z N ? ? 1 +24474 C CA . SER T 29 1.1332 1.1968 1.4623 0.2195 -0.0060 -0.0013 29 SER Z CA ? ? 1 +24475 C CB . SER T 29 1.1391 1.1857 1.4579 0.2119 -0.0029 -0.0037 29 SER Z CB ? ? 1 +24476 O OG . SER T 29 1.1299 1.1774 1.4508 0.1976 -0.0022 -0.0027 29 SER Z OG ? ? 1 +24477 C C . SER T 29 1.1885 1.2471 1.5128 0.2350 -0.0070 -0.0024 29 SER Z C ? ? 1 +24478 O O . SER T 29 1.2046 1.2639 1.5293 0.2403 -0.0052 -0.0062 29 SER Z O ? ? 1 +24479 N N . PRO T 30 1.2421 1.2958 1.5619 0.2433 -0.0099 0.0007 30 PRO Z N ? ? 1 +24480 C CA . PRO T 30 1.2832 1.3266 1.5948 0.2580 -0.0108 -0.0003 30 PRO Z CA ? ? 1 +24481 C CB . PRO T 30 1.2804 1.3243 1.5908 0.2640 -0.0147 0.0038 30 PRO Z CB ? ? 1 +24482 C CG . PRO T 30 1.2696 1.3118 1.5794 0.2509 -0.0148 0.0074 30 PRO Z CG ? ? 1 +24483 C CD . PRO T 30 1.2430 1.3013 1.5654 0.2394 -0.0125 0.0051 30 PRO Z CD ? ? 1 +24484 C C . PRO T 30 1.3435 1.3568 1.6351 0.2588 -0.0086 -0.0011 30 PRO Z C ? ? 1 +24485 O O . PRO T 30 1.3312 1.3360 1.6163 0.2698 -0.0082 -0.0033 30 PRO Z O ? ? 1 +24486 N N . GLN T 31 1.4090 1.4066 1.6911 0.2469 -0.0071 0.0006 31 GLN Z N ? ? 1 +24487 C CA . GLN T 31 1.4677 1.4379 1.7322 0.2439 -0.0045 -0.0005 31 GLN Z CA ? ? 1 +24488 C CB . GLN T 31 1.4789 1.4402 1.7392 0.2279 -0.0030 0.0013 31 GLN Z CB ? ? 1 +24489 C CG . GLN T 31 1.4870 1.4451 1.7449 0.2236 -0.0048 0.0065 31 GLN Z CG ? ? 1 +24490 C CD . GLN T 31 1.4620 1.4481 1.7385 0.2200 -0.0068 0.0080 31 GLN Z CD ? ? 1 +24491 O OE1 . GLN T 31 1.4607 1.4649 1.7505 0.2122 -0.0058 0.0059 31 GLN Z OE1 ? ? 1 +24492 N NE2 . GLN T 31 1.4417 1.4320 1.7193 0.2255 -0.0096 0.0115 31 GLN Z NE2 ? ? 1 +24493 C C . GLN T 31 1.4980 1.4693 1.7636 0.2462 -0.0020 -0.0056 31 GLN Z C ? ? 1 +24494 O O . GLN T 31 1.4726 1.4535 1.7457 0.2367 -0.0001 -0.0079 31 GLN Z O ? ? 1 +24495 N N . ASP T 32 1.5463 1.5077 1.8041 0.2592 -0.0019 -0.0074 32 ASP Z N ? ? 1 +24496 C CA . ASP T 32 1.5769 1.5393 1.8353 0.2637 0.0005 -0.0122 32 ASP Z CA ? ? 1 +24497 C CB . ASP T 32 1.5854 1.5280 1.8317 0.2536 0.0036 -0.0142 32 ASP Z CB ? ? 1 +24498 C CG . ASP T 32 1.5960 1.5268 1.8337 0.2608 0.0059 -0.0187 32 ASP Z CG ? ? 1 +24499 O OD1 . ASP T 32 1.5807 1.4991 1.8091 0.2733 0.0054 -0.0187 32 ASP Z OD1 ? ? 1 +24500 O OD2 . ASP T 32 1.6042 1.5370 1.8437 0.2539 0.0083 -0.0220 32 ASP Z OD2 ? ? 1 +24501 C C . ASP T 32 1.5569 1.5507 1.8363 0.2637 0.0007 -0.0146 32 ASP Z C ? ? 1 +24502 O O . ASP T 32 1.5686 1.5707 1.8543 0.2546 0.0028 -0.0170 32 ASP Z O ? ? 1 +24503 N N . TRP T 33 1.5258 1.5362 1.8154 0.2744 -0.0016 -0.0142 33 TRP Z N ? ? 1 +24504 C CA . TRP T 33 1.4815 1.5211 1.7907 0.2767 -0.0013 -0.0166 33 TRP Z CA ? ? 1 +24505 C CB . TRP T 33 1.4494 1.5071 1.7703 0.2840 -0.0050 -0.0142 33 TRP Z CB ? ? 1 +24506 C CG . TRP T 33 1.4136 1.4984 1.7527 0.2903 -0.0047 -0.0172 33 TRP Z CG ? ? 1 +24507 C CD1 . TRP T 33 1.4129 1.5054 1.7567 0.3044 -0.0059 -0.0188 33 TRP Z CD1 ? ? 1 +24508 N NE1 . TRP T 33 1.3942 1.5131 1.7563 0.3056 -0.0046 -0.0218 33 TRP Z NE1 ? ? 1 +24509 C CE2 . TRP T 33 1.3525 1.4806 1.7214 0.2922 -0.0025 -0.0220 33 TRP Z CE2 ? ? 1 +24510 C CZ2 . TRP T 33 1.3156 1.4678 1.7012 0.2879 -0.0005 -0.0243 33 TRP Z CZ2 ? ? 1 +24511 C CH2 . TRP T 33 1.2991 1.4544 1.6872 0.2741 0.0011 -0.0239 33 TRP Z CH2 ? ? 1 +24512 C CZ3 . TRP T 33 1.2934 1.4294 1.6686 0.2645 0.0007 -0.0213 33 TRP Z CZ3 ? ? 1 +24513 C CE3 . TRP T 33 1.3315 1.4437 1.6905 0.2682 -0.0010 -0.0191 33 TRP Z CE3 ? ? 1 +24514 C CD2 . TRP T 33 1.3637 1.4711 1.7188 0.2824 -0.0027 -0.0192 33 TRP Z CD2 ? ? 1 +24515 C C . TRP T 33 1.4892 1.5296 1.7984 0.2855 0.0013 -0.0213 33 TRP Z C ? ? 1 +24516 O O . TRP T 33 1.4947 1.5527 1.8159 0.2827 0.0035 -0.0243 33 TRP Z O ? ? 1 +24517 N N . ASP T 34 1.5044 1.5256 1.8000 0.2965 0.0013 -0.0221 34 ASP Z N ? ? 1 +24518 C CA . ASP T 34 1.5052 1.5287 1.8018 0.3072 0.0034 -0.0264 34 ASP Z CA ? ? 1 +24519 C CB . ASP T 34 1.5314 1.5396 1.8168 0.3220 0.0017 -0.0260 34 ASP Z CB ? ? 1 +24520 C CG . ASP T 34 1.5270 1.5530 1.8240 0.3314 -0.0022 -0.0241 34 ASP Z CG ? ? 1 +24521 O OD1 . ASP T 34 1.4954 1.5429 1.8074 0.3251 -0.0038 -0.0224 34 ASP Z OD1 ? ? 1 +24522 O OD2 . ASP T 34 1.5454 1.5642 1.8367 0.3450 -0.0038 -0.0245 34 ASP Z OD2 ? ? 1 +24523 C C . ASP T 34 1.5075 1.5201 1.7967 0.3015 0.0076 -0.0301 34 ASP Z C ? ? 1 +24524 O O . ASP T 34 1.4870 1.5092 1.7821 0.3071 0.0101 -0.0341 34 ASP Z O ? ? 1 +24525 N N . ARG T 35 1.5162 1.5094 1.7929 0.2905 0.0083 -0.0290 35 ARG Z N ? ? 1 +24526 C CA . ARG T 35 1.5117 1.4984 1.7839 0.2827 0.0117 -0.0324 35 ARG Z CA ? ? 1 +24527 C CB . ARG T 35 1.5597 1.5186 1.8140 0.2734 0.0121 -0.0313 35 ARG Z CB ? ? 1 +24528 C CG . ARG T 35 1.5980 1.5485 1.8464 0.2660 0.0154 -0.0354 35 ARG Z CG ? ? 1 +24529 C CD . ARG T 35 1.6327 1.5748 1.8740 0.2768 0.0179 -0.0397 35 ARG Z CD ? ? 1 +24530 N NE . ARG T 35 1.6457 1.5835 1.8834 0.2693 0.0208 -0.0437 35 ARG Z NE ? ? 1 +24531 C CZ . ARG T 35 1.6636 1.5756 1.8840 0.2660 0.0221 -0.0455 35 ARG Z CZ ? ? 1 +24532 N NH1 . ARG T 35 1.6934 1.5806 1.8980 0.2679 0.0211 -0.0434 35 ARG Z NH1 ? ? 1 +24533 N NH2 . ARG T 35 1.6506 1.5613 1.8690 0.2606 0.0246 -0.0495 35 ARG Z NH2 ? ? 1 +24534 C C . ARG T 35 1.4412 1.4535 1.7309 0.2731 0.0125 -0.0332 35 ARG Z C ? ? 1 +24535 O O . ARG T 35 1.4533 1.4745 1.7481 0.2728 0.0153 -0.0369 35 ARG Z O ? ? 1 +24536 N N . SER T 36 1.3741 1.3980 1.6724 0.2656 0.0101 -0.0295 36 SER Z N ? ? 1 +24537 C CA . SER T 36 1.3035 1.3512 1.6181 0.2563 0.0104 -0.0297 36 SER Z CA ? ? 1 +24538 C CB . SER T 36 1.2863 1.3417 1.6071 0.2488 0.0074 -0.0251 36 SER Z CB ? ? 1 +24539 O OG . SER T 36 1.3029 1.3353 1.6091 0.2428 0.0065 -0.0225 36 SER Z OG ? ? 1 +24540 C C . SER T 36 1.2579 1.3310 1.5889 0.2637 0.0115 -0.0322 36 SER Z C ? ? 1 +24541 O O . SER T 36 1.2540 1.3401 1.5932 0.2585 0.0139 -0.0347 36 SER Z O ? ? 1 +24542 N N . LYS T 37 1.2351 1.3150 1.5706 0.2760 0.0099 -0.0316 37 LYS Z N ? ? 1 +24543 C CA . LYS T 37 1.2145 1.3188 1.5661 0.2837 0.0108 -0.0339 37 LYS Z CA ? ? 1 +24544 C CB . LYS T 37 1.2376 1.3447 1.5912 0.2978 0.0082 -0.0330 37 LYS Z CB ? ? 1 +24545 C CG . LYS T 37 1.2408 1.3754 1.6132 0.3053 0.0088 -0.0353 37 LYS Z CG ? ? 1 +24546 C CD . LYS T 37 1.2590 1.3987 1.6350 0.3185 0.0053 -0.0342 37 LYS Z CD ? ? 1 +24547 C CE . LYS T 37 1.2567 1.4232 1.6514 0.3262 0.0063 -0.0372 37 LYS Z CE ? ? 1 +24548 N NZ . LYS T 37 1.2595 1.4291 1.6564 0.3404 0.0030 -0.0369 37 LYS Z NZ ? ? 1 +24549 C C . LYS T 37 1.2016 1.3054 1.5518 0.2864 0.0152 -0.0388 37 LYS Z C ? ? 1 +24550 O O . LYS T 37 1.1822 1.3067 1.5460 0.2849 0.0173 -0.0410 37 LYS Z O ? ? 1 +24551 N N . GLN T 38 1.2169 1.2962 1.5500 0.2905 0.0166 -0.0405 38 GLN Z N ? ? 1 +24552 C CA . GLN T 38 1.2153 1.2906 1.5443 0.2936 0.0207 -0.0451 38 GLN Z CA ? ? 1 +24553 C CB . GLN T 38 1.2673 1.3144 1.5768 0.3018 0.0212 -0.0463 38 GLN Z CB ? ? 1 +24554 C CG . GLN T 38 1.2979 1.3378 1.6010 0.3066 0.0255 -0.0513 38 GLN Z CG ? ? 1 +24555 C CD . GLN T 38 1.3463 1.3544 1.6276 0.3099 0.0258 -0.0521 38 GLN Z CD ? ? 1 +24556 O OE1 . GLN T 38 1.3671 1.3575 1.6374 0.3074 0.0231 -0.0489 38 GLN Z OE1 ? ? 1 +24557 N NE2 . GLN T 38 1.3675 1.3671 1.6415 0.3152 0.0294 -0.0564 38 GLN Z NE2 ? ? 1 +24558 C C . GLN T 38 1.1767 1.2523 1.5052 0.2804 0.0230 -0.0466 38 GLN Z C ? ? 1 +24559 O O . GLN T 38 1.1725 1.2586 1.5067 0.2808 0.0264 -0.0501 38 GLN Z O ? ? 1 +24560 N N . LEU T 39 1.1487 1.2126 1.4700 0.2689 0.0212 -0.0441 39 LEU Z N ? ? 1 +24561 C CA . LEU T 39 1.1291 1.1945 1.4508 0.2559 0.0227 -0.0452 39 LEU Z CA ? ? 1 +24562 C CB . LEU T 39 1.1246 1.1755 1.4380 0.2444 0.0202 -0.0421 39 LEU Z CB ? ? 1 +24563 C CG . LEU T 39 1.1436 1.1637 1.4365 0.2444 0.0203 -0.0424 39 LEU Z CG ? ? 1 +24564 C CD1 . LEU T 39 1.1386 1.1483 1.4262 0.2322 0.0182 -0.0393 39 LEU Z CD1 ? ? 1 +24565 C CD2 . LEU T 39 1.1517 1.1606 1.4354 0.2442 0.0235 -0.0472 39 LEU Z CD2 ? ? 1 +24566 C C . LEU T 39 1.0984 1.1925 1.4391 0.2511 0.0233 -0.0453 39 LEU Z C ? ? 1 +24567 O O . LEU T 39 1.0797 1.1799 1.4230 0.2461 0.0259 -0.0480 39 LEU Z O ? ? 1 +24568 N N . ILE T 40 1.0851 1.1960 1.4385 0.2525 0.0207 -0.0421 40 ILE Z N ? ? 1 +24569 C CA . ILE T 40 1.0538 1.1920 1.4255 0.2485 0.0211 -0.0419 40 ILE Z CA ? ? 1 +24570 C CB . ILE T 40 1.0384 1.1888 1.4200 0.2487 0.0173 -0.0377 40 ILE Z CB ? ? 1 +24571 C CG1 . ILE T 40 1.0308 1.1690 1.4052 0.2380 0.0145 -0.0341 40 ILE Z CG1 ? ? 1 +24572 C CG2 . ILE T 40 1.0220 1.2021 1.4238 0.2476 0.0177 -0.0379 40 ILE Z CG2 ? ? 1 +24573 C CD1 . ILE T 40 1.0218 1.1667 1.4021 0.2390 0.0106 -0.0297 40 ILE Z CD1 ? ? 1 +24574 C C . ILE T 40 1.0548 1.2083 1.4357 0.2570 0.0245 -0.0456 40 ILE Z C ? ? 1 +24575 O O . ILE T 40 1.0552 1.2241 1.4454 0.2518 0.0269 -0.0472 40 ILE Z O ? ? 1 +24576 N N . PHE T 41 1.0650 1.2143 1.4432 0.2700 0.0249 -0.0469 41 PHE Z N ? ? 1 +24577 C CA . PHE T 41 1.0669 1.2270 1.4513 0.2786 0.0288 -0.0510 41 PHE Z CA ? ? 1 +24578 C CB . PHE T 41 1.1180 1.2692 1.4968 0.2933 0.0285 -0.0521 41 PHE Z CB ? ? 1 +24579 C CG . PHE T 41 1.1525 1.3249 1.5470 0.3025 0.0269 -0.0515 41 PHE Z CG ? ? 1 +24580 C CD1 . PHE T 41 1.1609 1.3551 1.5700 0.3073 0.0302 -0.0545 41 PHE Z CD1 ? ? 1 +24581 C CD2 . PHE T 41 1.1781 1.3486 1.5728 0.3062 0.0222 -0.0479 41 PHE Z CD2 ? ? 1 +24582 C CE1 . PHE T 41 1.1718 1.3860 1.5961 0.3156 0.0287 -0.0543 41 PHE Z CE1 ? ? 1 +24583 C CE2 . PHE T 41 1.1852 1.3755 1.5944 0.3147 0.0204 -0.0476 41 PHE Z CE2 ? ? 1 +24584 C CZ . PHE T 41 1.1786 1.3909 1.6029 0.3193 0.0235 -0.0509 41 PHE Z CZ ? ? 1 +24585 C C . PHE T 41 1.0394 1.1911 1.4158 0.2733 0.0327 -0.0544 41 PHE Z C ? ? 1 +24586 O O . PHE T 41 1.0210 1.1890 1.4072 0.2711 0.0359 -0.0566 41 PHE Z O ? ? 1 +24587 N N . LEU T 42 1.0324 1.1582 1.3907 0.2711 0.0325 -0.0548 42 LEU Z N ? ? 1 +24588 C CA . LEU T 42 1.0253 1.1399 1.3738 0.2660 0.0356 -0.0581 42 LEU Z CA ? ? 1 +24589 C CB . LEU T 42 1.0583 1.1429 1.3867 0.2636 0.0343 -0.0579 42 LEU Z CB ? ? 1 +24590 C CG . LEU T 42 1.0793 1.1481 1.3945 0.2618 0.0375 -0.0621 42 LEU Z CG ? ? 1 +24591 C CD1 . LEU T 42 1.0889 1.1582 1.4028 0.2745 0.0413 -0.0660 42 LEU Z CD1 ? ? 1 +24592 C CD2 . LEU T 42 1.1023 1.1422 1.3987 0.2577 0.0357 -0.0616 42 LEU Z CD2 ? ? 1 +24593 C C . LEU T 42 0.9856 1.1128 1.3416 0.2533 0.0361 -0.0579 42 LEU Z C ? ? 1 +24594 O O . LEU T 42 0.9805 1.1163 1.3401 0.2524 0.0397 -0.0609 42 LEU Z O ? ? 1 +24595 N N . GLY T 43 0.9544 1.0816 1.3119 0.2435 0.0326 -0.0543 43 GLY Z N ? ? 1 +24596 C CA . GLY T 43 0.9222 1.0602 1.2862 0.2312 0.0325 -0.0538 43 GLY Z CA ? ? 1 +24597 C C . GLY T 43 0.8898 1.0545 1.2709 0.2325 0.0348 -0.0547 43 GLY Z C ? ? 1 +24598 O O . GLY T 43 0.8777 1.0483 1.2606 0.2272 0.0373 -0.0568 43 GLY Z O ? ? 1 +24599 N N . SER T 44 0.8781 1.0580 1.2713 0.2397 0.0339 -0.0531 44 SER Z N ? ? 1 +24600 C CA . SER T 44 0.8622 1.0680 1.2726 0.2418 0.0361 -0.0539 44 SER Z CA ? ? 1 +24601 C CB . SER T 44 0.8631 1.0816 1.2845 0.2507 0.0341 -0.0521 44 SER Z CB ? ? 1 +24602 O OG . SER T 44 0.8632 1.0809 1.2860 0.2459 0.0295 -0.0478 44 SER Z OG ? ? 1 +24603 C C . SER T 44 0.8627 1.0716 1.2726 0.2467 0.0414 -0.0583 44 SER Z C ? ? 1 +24604 O O . SER T 44 0.8508 1.0720 1.2673 0.2411 0.0440 -0.0596 44 SER Z O ? ? 1 +24605 N N . GLY T 45 0.8769 1.0740 1.2786 0.2573 0.0430 -0.0607 45 GLY Z N ? ? 1 +24606 C CA . GLY T 45 0.8823 1.0793 1.2813 0.2625 0.0483 -0.0651 45 GLY Z CA ? ? 1 +24607 C C . GLY T 45 0.8804 1.0680 1.2699 0.2533 0.0503 -0.0670 45 GLY Z C ? ? 1 +24608 O O . GLY T 45 0.8760 1.0747 1.2705 0.2519 0.0542 -0.0694 45 GLY Z O ? ? 1 +24609 N N . LEU T 46 0.8878 1.0546 1.2632 0.2469 0.0474 -0.0660 46 LEU Z N ? ? 1 +24610 C CA . LEU T 46 0.8921 1.0481 1.2572 0.2380 0.0484 -0.0679 46 LEU Z CA ? ? 1 +24611 C CB . LEU T 46 0.9164 1.0475 1.2657 0.2331 0.0449 -0.0669 46 LEU Z CB ? ? 1 +24612 C CG . LEU T 46 0.9350 1.0498 1.2702 0.2268 0.0462 -0.0699 46 LEU Z CG ? ? 1 +24613 C CD1 . LEU T 46 0.9495 1.0587 1.2778 0.2358 0.0509 -0.0745 46 LEU Z CD1 ? ? 1 +24614 C CD2 . LEU T 46 0.9511 1.0420 1.2717 0.2219 0.0428 -0.0690 46 LEU Z CD2 ? ? 1 +24615 C C . LEU T 46 0.8599 1.0330 1.2356 0.2274 0.0482 -0.0667 46 LEU Z C ? ? 1 +24616 O O . LEU T 46 0.8595 1.0334 1.2324 0.2232 0.0509 -0.0692 46 LEU Z O ? ? 1 +24617 N N . TRP T 47 0.8287 1.0151 1.2160 0.2234 0.0450 -0.0629 47 TRP Z N ? ? 1 +24618 C CA . TRP T 47 0.7953 0.9989 1.1937 0.2140 0.0446 -0.0613 47 TRP Z CA ? ? 1 +24619 C CB . TRP T 47 0.7744 0.9877 1.1828 0.2107 0.0404 -0.0569 47 TRP Z CB ? ? 1 +24620 C CG . TRP T 47 0.7484 0.9754 1.1658 0.1998 0.0390 -0.0549 47 TRP Z CG ? ? 1 +24621 C CD1 . TRP T 47 0.7422 0.9612 1.1540 0.1890 0.0362 -0.0536 47 TRP Z CD1 ? ? 1 +24622 N NE1 . TRP T 47 0.7188 0.9553 1.1422 0.1817 0.0357 -0.0520 47 TRP Z NE1 ? ? 1 +24623 C CE2 . TRP T 47 0.7072 0.9632 1.1438 0.1874 0.0383 -0.0522 47 TRP Z CE2 ? ? 1 +24624 C CZ2 . TRP T 47 0.6865 0.9638 1.1374 0.1835 0.0390 -0.0511 47 TRP Z CZ2 ? ? 1 +24625 C CH2 . TRP T 47 0.6800 0.9740 1.1426 0.1908 0.0420 -0.0519 47 TRP Z CH2 ? ? 1 +24626 C CZ3 . TRP T 47 0.6918 0.9823 1.1526 0.2021 0.0441 -0.0539 47 TRP Z CZ3 ? ? 1 +24627 C CE3 . TRP T 47 0.7127 0.9818 1.1590 0.2064 0.0433 -0.0550 47 TRP Z CE3 ? ? 1 +24628 C CD2 . TRP T 47 0.7227 0.9738 1.1564 0.1988 0.0404 -0.0542 47 TRP Z CD2 ? ? 1 +24629 C C . TRP T 47 0.7813 1.0048 1.1912 0.2173 0.0492 -0.0634 47 TRP Z C ? ? 1 +24630 O O . TRP T 47 0.7700 0.9986 1.1805 0.2109 0.0511 -0.0646 47 TRP Z O ? ? 1 +24631 N N . ILE T 48 0.7805 1.0149 1.1994 0.2275 0.0509 -0.0638 48 ILE Z N ? ? 1 +24632 C CA . ILE T 48 0.7674 1.0206 1.1978 0.2319 0.0557 -0.0659 48 ILE Z CA ? ? 1 +24633 C CB . ILE T 48 0.7698 1.0340 1.2105 0.2434 0.0562 -0.0660 48 ILE Z CB ? ? 1 +24634 C CG1 . ILE T 48 0.7575 1.0339 1.2101 0.2411 0.0515 -0.0619 48 ILE Z CG1 ? ? 1 +24635 C CG2 . ILE T 48 0.7646 1.0462 1.2159 0.2491 0.0620 -0.0690 48 ILE Z CG2 ? ? 1 +24636 C CD1 . ILE T 48 0.7590 1.0482 1.2231 0.2520 0.0513 -0.0619 48 ILE Z CD1 ? ? 1 +24637 C C . ILE T 48 0.7763 1.0203 1.1964 0.2334 0.0605 -0.0701 48 ILE Z C ? ? 1 +24638 O O . ILE T 48 0.7704 1.0259 1.1956 0.2303 0.0642 -0.0715 48 ILE Z O ? ? 1 +24639 N N . ALA T 49 0.7933 1.0159 1.1981 0.2382 0.0605 -0.0720 49 ALA Z N ? ? 1 +24640 C CA . ALA T 49 0.8069 1.0180 1.1999 0.2402 0.0648 -0.0761 49 ALA Z CA ? ? 1 +24641 C CB . ALA T 49 0.8307 1.0179 1.2077 0.2465 0.0639 -0.0776 49 ALA Z CB ? ? 1 +24642 C C . ALA T 49 0.8006 1.0077 1.1872 0.2289 0.0648 -0.0766 49 ALA Z C ? ? 1 +24643 O O . ALA T 49 0.7988 1.0109 1.1851 0.2286 0.0692 -0.0792 49 ALA Z O ? ? 1 +24644 N N . LEU T 50 0.7962 0.9944 1.1779 0.2199 0.0598 -0.0741 50 LEU Z N ? ? 1 +24645 C CA . LEU T 50 0.7912 0.9858 1.1675 0.2090 0.0589 -0.0745 50 LEU Z CA ? ? 1 +24646 C CB . LEU T 50 0.7937 0.9768 1.1645 0.2005 0.0531 -0.0718 50 LEU Z CB ? ? 1 +24647 C CG . LEU T 50 0.8166 0.9740 1.1707 0.2022 0.0512 -0.0730 50 LEU Z CG ? ? 1 +24648 C CD1 . LEU T 50 0.8167 0.9654 1.1673 0.1925 0.0459 -0.0703 50 LEU Z CD1 ? ? 1 +24649 C CD2 . LEU T 50 0.8337 0.9765 1.1734 0.2033 0.0542 -0.0776 50 LEU Z CD2 ? ? 1 +24650 C C . LEU T 50 0.7680 0.9849 1.1580 0.2040 0.0607 -0.0735 50 LEU Z C ? ? 1 +24651 O O . LEU T 50 0.7662 0.9832 1.1521 0.1991 0.0627 -0.0753 50 LEU Z O ? ? 1 +24652 N N . VAL T 51 0.7511 0.9863 1.1568 0.2053 0.0598 -0.0706 51 VAL Z N ? ? 1 +24653 C CA . VAL T 51 0.7332 0.9900 1.1528 0.2011 0.0616 -0.0695 51 VAL Z CA ? ? 1 +24654 C CB . VAL T 51 0.7172 0.9924 1.1537 0.2027 0.0596 -0.0662 51 VAL Z CB ? ? 1 +24655 C CG1 . VAL T 51 0.6991 0.9966 1.1498 0.1995 0.0625 -0.0658 51 VAL Z CG1 ? ? 1 +24656 C CG2 . VAL T 51 0.7127 0.9827 1.1487 0.1963 0.0534 -0.0625 51 VAL Z CG2 ? ? 1 +24657 C C . VAL T 51 0.7375 1.0009 1.1579 0.2062 0.0681 -0.0730 51 VAL Z C ? ? 1 +24658 O O . VAL T 51 0.7366 1.0050 1.1567 0.2005 0.0703 -0.0738 51 VAL Z O ? ? 1 +24659 N N . LEU T 52 0.7456 1.0086 1.1666 0.2170 0.0713 -0.0751 52 LEU Z N ? ? 1 +24660 C CA . LEU T 52 0.7490 1.0181 1.1709 0.2226 0.0780 -0.0786 52 LEU Z CA ? ? 1 +24661 C CB . LEU T 52 0.7599 1.0299 1.1847 0.2353 0.0807 -0.0804 52 LEU Z CB ? ? 1 +24662 C CG . LEU T 52 0.7480 1.0352 1.1896 0.2400 0.0789 -0.0781 52 LEU Z CG ? ? 1 +24663 C CD1 . LEU T 52 0.7610 1.0449 1.2023 0.2529 0.0806 -0.0802 52 LEU Z CD1 ? ? 1 +24664 C CD2 . LEU T 52 0.7278 1.0400 1.1867 0.2374 0.0820 -0.0775 52 LEU Z CD2 ? ? 1 +24665 C C . LEU T 52 0.7615 1.0138 1.1666 0.2194 0.0800 -0.0815 52 LEU Z C ? ? 1 +24666 O O . LEU T 52 0.7575 1.0164 1.1631 0.2171 0.0843 -0.0831 52 LEU Z O ? ? 1 +24667 N N . VAL T 53 0.7770 1.0073 1.1670 0.2188 0.0767 -0.0821 53 VAL Z N ? ? 1 +24668 C CA . VAL T 53 0.7921 1.0048 1.1651 0.2157 0.0777 -0.0851 53 VAL Z CA ? ? 1 +24669 C CB . VAL T 53 0.8105 0.9990 1.1684 0.2162 0.0737 -0.0856 53 VAL Z CB ? ? 1 +24670 C CG1 . VAL T 53 0.8224 0.9940 1.1645 0.2084 0.0721 -0.0876 53 VAL Z CG1 ? ? 1 +24671 C CG2 . VAL T 53 0.8267 1.0059 1.1789 0.2282 0.0766 -0.0882 53 VAL Z CG2 ? ? 1 +24672 C C . VAL T 53 0.7821 0.9992 1.1548 0.2046 0.0766 -0.0843 53 VAL Z C ? ? 1 +24673 O O . VAL T 53 0.7900 1.0067 1.1572 0.2037 0.0806 -0.0868 53 VAL Z O ? ? 1 +24674 N N . VAL T 54 0.7662 0.9873 1.1443 0.1965 0.0713 -0.0808 54 VAL Z N ? ? 1 +24675 C CA . VAL T 54 0.7536 0.9809 1.1333 0.1863 0.0697 -0.0797 54 VAL Z CA ? ? 1 +24676 C CB . VAL T 54 0.7404 0.9708 1.1262 0.1784 0.0635 -0.0757 54 VAL Z CB ? ? 1 +24677 C CG1 . VAL T 54 0.7255 0.9664 1.1161 0.1688 0.0623 -0.0743 54 VAL Z CG1 ? ? 1 +24678 C CG2 . VAL T 54 0.7554 0.9644 1.1283 0.1759 0.0588 -0.0759 54 VAL Z CG2 ? ? 1 +24679 C C . VAL T 54 0.7401 0.9873 1.1311 0.1868 0.0747 -0.0797 54 VAL Z C ? ? 1 +24680 O O . VAL T 54 0.7414 0.9894 1.1281 0.1819 0.0764 -0.0808 54 VAL Z O ? ? 1 +24681 N N . GLY T 55 0.7299 0.9932 1.1354 0.1927 0.0768 -0.0784 55 GLY Z N ? ? 1 +24682 C CA . GLY T 55 0.7145 0.9978 1.1325 0.1936 0.0818 -0.0784 55 GLY Z CA ? ? 1 +24683 C C . GLY T 55 0.7251 1.0055 1.1357 0.1974 0.0885 -0.0822 55 GLY Z C ? ? 1 +24684 O O . GLY T 55 0.7150 1.0055 1.1291 0.1937 0.0919 -0.0823 55 GLY Z O ? ? 1 +24685 N N . VAL T 56 0.7477 1.0138 1.1475 0.2049 0.0905 -0.0853 56 VAL Z N ? ? 1 +24686 C CA . VAL T 56 0.7652 1.0267 1.1565 0.2093 0.0970 -0.0891 56 VAL Z CA ? ? 1 +24687 C CB . VAL T 56 0.7774 1.0300 1.1638 0.2207 0.0999 -0.0920 56 VAL Z CB ? ? 1 +24688 C CG1 . VAL T 56 0.7926 1.0372 1.1675 0.2248 0.1064 -0.0962 56 VAL Z CG1 ? ? 1 +24689 C CG2 . VAL T 56 0.7642 1.0344 1.1679 0.2281 0.1017 -0.0909 56 VAL Z CG2 ? ? 1 +24690 C C . VAL T 56 0.7834 1.0292 1.1581 0.2024 0.0956 -0.0906 56 VAL Z C ? ? 1 +24691 O O . VAL T 56 0.7857 1.0342 1.1569 0.2007 0.1001 -0.0922 56 VAL Z O ? ? 1 +24692 N N . LEU T 57 0.7993 1.0288 1.1640 0.1983 0.0895 -0.0901 57 LEU Z N ? ? 1 +24693 C CA . LEU T 57 0.8160 1.0303 1.1652 0.1914 0.0872 -0.0916 57 LEU Z CA ? ? 1 +24694 C CB . LEU T 57 0.8286 1.0244 1.1678 0.1886 0.0808 -0.0914 57 LEU Z CB ? ? 1 +24695 C CG . LEU T 57 0.8510 1.0300 1.1794 0.1972 0.0821 -0.0943 57 LEU Z CG ? ? 1 +24696 C CD1 . LEU T 57 0.8656 1.0240 1.1810 0.1926 0.0763 -0.0947 57 LEU Z CD1 ? ? 1 +24697 C CD2 . LEU T 57 0.8629 1.0360 1.1813 0.2032 0.0886 -0.0985 57 LEU Z CD2 ? ? 1 +24698 C C . LEU T 57 0.8048 1.0291 1.1583 0.1818 0.0856 -0.0897 57 LEU Z C ? ? 1 +24699 O O . LEU T 57 0.8128 1.0279 1.1544 0.1773 0.0854 -0.0915 57 LEU Z O ? ? 1 +24700 N N . ASN T 58 0.7904 1.0330 1.1603 0.1790 0.0844 -0.0861 58 ASN Z N ? ? 1 +24701 C CA . ASN T 58 0.7820 1.0363 1.1575 0.1710 0.0839 -0.0842 58 ASN Z CA ? ? 1 +24702 C CB . ASN T 58 0.7575 1.0331 1.1527 0.1704 0.0837 -0.0806 58 ASN Z CB ? ? 1 +24703 C CG . ASN T 58 0.7398 1.0291 1.1419 0.1634 0.0844 -0.0787 58 ASN Z CG ? ? 1 +24704 O OD1 . ASN T 58 0.7330 1.0345 1.1413 0.1656 0.0903 -0.0792 58 ASN Z OD1 ? ? 1 +24705 N ND2 . ASN T 58 0.7302 1.0173 1.1310 0.1548 0.0786 -0.0766 58 ASN Z ND2 ? ? 1 +24706 C C . ASN T 58 0.7973 1.0532 1.1669 0.1716 0.0899 -0.0866 58 ASN Z C ? ? 1 +24707 O O . ASN T 58 0.7990 1.0524 1.1624 0.1647 0.0884 -0.0866 58 ASN Z O ? ? 1 +24708 N N . PHE T 59 0.8131 1.0734 1.1849 0.1799 0.0968 -0.0887 59 PHE Z N ? ? 1 +24709 C CA . PHE T 59 0.8261 1.0911 1.1950 0.1806 0.1035 -0.0906 59 PHE Z CA ? ? 1 +24710 C CB . PHE T 59 0.8185 1.0977 1.1991 0.1890 0.1107 -0.0914 59 PHE Z CB ? ? 1 +24711 C CG . PHE T 59 0.7956 1.0954 1.1963 0.1873 0.1096 -0.0878 59 PHE Z CG ? ? 1 +24712 C CD1 . PHE T 59 0.7890 1.0919 1.1986 0.1902 0.1055 -0.0861 59 PHE Z CD1 ? ? 1 +24713 C CD2 . PHE T 59 0.7806 1.0957 1.1903 0.1824 0.1122 -0.0861 59 PHE Z CD2 ? ? 1 +24714 C CE1 . PHE T 59 0.7700 1.0914 1.1974 0.1884 0.1040 -0.0829 59 PHE Z CE1 ? ? 1 +24715 C CE2 . PHE T 59 0.7609 1.0944 1.1886 0.1805 0.1109 -0.0830 59 PHE Z CE2 ? ? 1 +24716 C CZ . PHE T 59 0.7568 1.0935 1.1934 0.1835 0.1067 -0.0815 59 PHE Z CZ ? ? 1 +24717 C C . PHE T 59 0.8600 1.1059 1.2086 0.1808 0.1047 -0.0942 59 PHE Z C ? ? 1 +24718 O O . PHE T 59 0.8730 1.1204 1.2167 0.1809 0.1100 -0.0958 59 PHE Z O ? ? 1 +24719 N N . PHE T 60 0.8835 1.1111 1.2203 0.1806 0.0998 -0.0956 60 PHE Z N ? ? 1 +24720 C CA . PHE T 60 0.9126 1.1208 1.2296 0.1803 0.0998 -0.0991 60 PHE Z CA ? ? 1 +24721 C CB . PHE T 60 0.9362 1.1287 1.2445 0.1875 0.0997 -0.1017 60 PHE Z CB ? ? 1 +24722 C CG . PHE T 60 0.9457 1.1449 1.2604 0.1980 0.1065 -0.1031 60 PHE Z CG ? ? 1 +24723 C CD1 . PHE T 60 0.9610 1.1619 1.2713 0.2028 0.1142 -0.1058 60 PHE Z CD1 ? ? 1 +24724 C CD2 . PHE T 60 0.9418 1.1458 1.2669 0.2032 0.1052 -0.1016 60 PHE Z CD2 ? ? 1 +24725 C CE1 . PHE T 60 0.9665 1.1743 1.2835 0.2126 0.1207 -0.1073 60 PHE Z CE1 ? ? 1 +24726 C CE2 . PHE T 60 0.9533 1.1642 1.2848 0.2132 0.1112 -0.1031 60 PHE Z CE2 ? ? 1 +24727 C CZ . PHE T 60 0.9608 1.1739 1.2887 0.2178 0.1189 -0.1060 60 PHE Z CZ ? ? 1 +24728 C C . PHE T 60 0.9167 1.1156 1.2250 0.1706 0.0929 -0.0986 60 PHE Z C ? ? 1 +24729 O O . PHE T 60 0.9333 1.1161 1.2251 0.1695 0.0921 -0.1016 60 PHE Z O ? ? 1 +24730 N N . VAL T 61 0.9037 1.1131 1.2233 0.1639 0.0879 -0.0948 61 VAL Z N ? ? 1 +24731 C CA . VAL T 61 0.9091 1.1122 1.2229 0.1546 0.0811 -0.0940 61 VAL Z CA ? ? 1 +24732 C CB . VAL T 61 0.9028 1.0987 1.2182 0.1518 0.0742 -0.0926 61 VAL Z CB ? ? 1 +24733 C CG1 . VAL T 61 0.9187 1.0993 1.2254 0.1588 0.0751 -0.0952 61 VAL Z CG1 ? ? 1 +24734 C CG2 . VAL T 61 0.8849 1.0978 1.2188 0.1501 0.0723 -0.0882 61 VAL Z CG2 ? ? 1 +24735 C C . VAL T 61 0.9088 1.1277 1.2322 0.1481 0.0805 -0.0911 61 VAL Z C ? ? 1 +24736 O O . VAL T 61 0.9050 1.1209 1.2248 0.1404 0.0751 -0.0903 61 VAL Z O ? ? 1 +24737 N N . VAL T 62 0.9147 1.1506 1.2506 0.1512 0.0860 -0.0895 62 VAL Z N ? ? 1 +24738 C CA . VAL T 62 0.9052 1.1571 1.2515 0.1457 0.0861 -0.0865 62 VAL Z CA ? ? 1 +24739 C CB . VAL T 62 0.8974 1.1672 1.2635 0.1466 0.0859 -0.0829 62 VAL Z CB ? ? 1 +24740 C CG1 . VAL T 62 0.8923 1.1806 1.2700 0.1449 0.0903 -0.0809 62 VAL Z CG1 ? ? 1 +24741 C CG2 . VAL T 62 0.8869 1.1556 1.2575 0.1407 0.0779 -0.0803 62 VAL Z CG2 ? ? 1 +24742 C C . VAL T 62 0.9172 1.1732 1.2593 0.1475 0.0932 -0.0880 62 VAL Z C ? ? 1 +24743 O O . VAL T 62 0.9475 1.2014 1.2860 0.1546 0.0997 -0.0904 62 VAL Z O ? ? 1 +24744 O OXT . VAL T 62 0.9093 1.1706 1.2515 0.1417 0.0925 -0.0866 62 VAL Z OXT ? ? 1 +24745 N N . ALA U 1 1.1321 1.6482 1.5896 -0.0190 0.2344 0.0703 11 ALA a N ? ? 1 +24746 C CA . ALA U 1 1.1195 1.6403 1.5880 -0.0259 0.2394 0.0717 11 ALA a CA ? ? 1 +24747 C CB . ALA U 1 1.1467 1.6585 1.6048 -0.0289 0.2526 0.0738 11 ALA a CB ? ? 1 +24748 C C . ALA U 1 1.0777 1.6198 1.5734 -0.0286 0.2393 0.0684 11 ALA a C ? ? 1 +24749 O O . ALA U 1 1.0729 1.6210 1.5805 -0.0329 0.2360 0.0688 11 ALA a O ? ? 1 +24750 N N . ASN U 2 0.9980 1.5509 1.5029 -0.0258 0.2426 0.0652 12 ASN a N ? ? 1 +24751 C CA . ASN U 2 0.9195 1.4927 1.4494 -0.0271 0.2414 0.0617 12 ASN a CA ? ? 1 +24752 C CB . ASN U 2 0.9167 1.4986 1.4524 -0.0237 0.2479 0.0587 12 ASN a CB ? ? 1 +24753 C CG . ASN U 2 0.9060 1.4851 1.4340 -0.0165 0.2406 0.0571 12 ASN a CG ? ? 1 +24754 O OD1 . ASN U 2 0.9090 1.4726 1.4165 -0.0132 0.2377 0.0590 12 ASN a OD1 ? ? 1 +24755 N ND2 . ASN U 2 0.8899 1.4836 1.4338 -0.0137 0.2374 0.0536 12 ASN a ND2 ? ? 1 +24756 C C . ASN U 2 0.8715 1.4508 1.4093 -0.0247 0.2281 0.0605 12 ASN a C ? ? 1 +24757 O O . ASN U 2 0.8719 1.4405 1.3960 -0.0213 0.2200 0.0618 12 ASN a O ? ? 1 +24758 N N . LEU U 3 0.8025 1.3994 1.3628 -0.0264 0.2262 0.0577 13 LEU a N ? ? 1 +24759 C CA . LEU U 3 0.7223 1.3257 1.2923 -0.0258 0.2146 0.0568 13 LEU a CA ? ? 1 +24760 C CB . LEU U 3 0.7227 1.3455 1.3180 -0.0291 0.2153 0.0541 13 LEU a CB ? ? 1 +24761 C CG . LEU U 3 0.7233 1.3489 1.3273 -0.0352 0.2130 0.0553 13 LEU a CG ? ? 1 +24762 C CD1 . LEU U 3 0.7187 1.3351 1.3135 -0.0339 0.2023 0.0573 13 LEU a CD1 ? ? 1 +24763 C CD2 . LEU U 3 0.7502 1.3695 1.3497 -0.0410 0.2232 0.0576 13 LEU a CD2 ? ? 1 +24764 C C . LEU U 3 0.6600 1.2621 1.2247 -0.0191 0.2060 0.0553 13 LEU a C ? ? 1 +24765 O O . LEU U 3 0.6290 1.2263 1.1891 -0.0178 0.1962 0.0561 13 LEU a O ? ? 1 +24766 N N . TRP U 4 0.6137 1.2200 1.1793 -0.0150 0.2099 0.0529 14 TRP a N ? ? 1 +24767 C CA . TRP U 4 0.5826 1.1867 1.1424 -0.0087 0.2026 0.0513 14 TRP a CA ? ? 1 +24768 C CB . TRP U 4 0.5569 1.1665 1.1190 -0.0046 0.2089 0.0486 14 TRP a CB ? ? 1 +24769 C CG . TRP U 4 0.5326 1.1401 1.0892 0.0018 0.2017 0.0467 14 TRP a CG ? ? 1 +24770 C CD1 . TRP U 4 0.5369 1.1342 1.0775 0.0066 0.2035 0.0464 14 TRP a CD1 ? ? 1 +24771 N NE1 . TRP U 4 0.5219 1.1201 1.0623 0.0114 0.1953 0.0444 14 TRP a NE1 ? ? 1 +24772 C CE2 . TRP U 4 0.5061 1.1151 1.0623 0.0099 0.1881 0.0435 14 TRP a CE2 ? ? 1 +24773 C CZ2 . TRP U 4 0.4975 1.1107 1.0591 0.0131 0.1787 0.0417 14 TRP a CZ2 ? ? 1 +24774 C CH2 . TRP U 4 0.4824 1.1063 1.0600 0.0105 0.1731 0.0412 14 TRP a CH2 ? ? 1 +24775 C CZ3 . TRP U 4 0.4787 1.1092 1.0670 0.0047 0.1764 0.0424 14 TRP a CZ3 ? ? 1 +24776 C CE3 . TRP U 4 0.4889 1.1151 1.0721 0.0013 0.1856 0.0442 14 TRP a CE3 ? ? 1 +24777 C CD2 . TRP U 4 0.5064 1.1215 1.0731 0.0039 0.1917 0.0449 14 TRP a CD2 ? ? 1 +24778 C C . TRP U 4 0.5988 1.1846 1.1358 -0.0064 0.1980 0.0539 14 TRP a C ? ? 1 +24779 O O . TRP U 4 0.5694 1.1527 1.1033 -0.0039 0.1880 0.0537 14 TRP a O ? ? 1 +24780 N N . GLU U 5 0.6312 1.2047 1.1525 -0.0074 0.2054 0.0562 15 GLU a N ? ? 1 +24781 C CA . GLU U 5 0.6650 1.2207 1.1634 -0.0047 0.2018 0.0585 15 GLU a CA ? ? 1 +24782 C CB . GLU U 5 0.7285 1.2721 1.2110 -0.0056 0.2122 0.0607 15 GLU a CB ? ? 1 +24783 C CG . GLU U 5 0.7851 1.3131 1.2446 -0.0005 0.2114 0.0613 15 GLU a CG ? ? 1 +24784 C CD . GLU U 5 0.8471 1.3623 1.2900 -0.0014 0.2218 0.0638 15 GLU a CD ? ? 1 +24785 O OE1 . GLU U 5 0.8962 1.4021 1.3307 -0.0048 0.2227 0.0670 15 GLU a OE1 ? ? 1 +24786 O OE2 . GLU U 5 0.8727 1.3868 1.3107 0.0012 0.2292 0.0625 15 GLU a OE2 ? ? 1 +24787 C C . GLU U 5 0.6432 1.1938 1.1388 -0.0067 0.1929 0.0606 15 GLU a C ? ? 1 +24788 O O . GLU U 5 0.6280 1.1694 1.1113 -0.0034 0.1849 0.0611 15 GLU a O ? ? 1 +24789 N N . ARG U 6 0.6268 1.1834 1.1340 -0.0121 0.1943 0.0617 16 ARG a N ? ? 1 +24790 C CA . ARG U 6 0.6065 1.1594 1.1130 -0.0143 0.1863 0.0636 16 ARG a CA ? ? 1 +24791 C CB . ARG U 6 0.6321 1.1899 1.1493 -0.0207 0.1910 0.0650 16 ARG a CB ? ? 1 +24792 C CG . ARG U 6 0.6889 1.2354 1.1936 -0.0237 0.2010 0.0678 16 ARG a CG ? ? 1 +24793 C CD . ARG U 6 0.7263 1.2754 1.2398 -0.0303 0.2040 0.0694 16 ARG a CD ? ? 1 +24794 N NE . ARG U 6 0.7606 1.3045 1.2709 -0.0307 0.1945 0.0711 16 ARG a NE ? ? 1 +24795 C CZ . ARG U 6 0.7878 1.3358 1.3082 -0.0355 0.1930 0.0718 16 ARG a CZ ? ? 1 +24796 N NH1 . ARG U 6 0.7942 1.3519 1.3292 -0.0407 0.2002 0.0710 16 ARG a NH1 ? ? 1 +24797 N NH2 . ARG U 6 0.7815 1.3240 1.2975 -0.0350 0.1841 0.0733 16 ARG a NH2 ? ? 1 +24798 C C . ARG U 6 0.5554 1.1169 1.0723 -0.0121 0.1754 0.0615 16 ARG a C ? ? 1 +24799 O O . ARG U 6 0.5579 1.1127 1.0675 -0.0108 0.1668 0.0625 16 ARG a O ? ? 1 +24800 N N . PHE U 7 0.5180 1.0943 1.0522 -0.0117 0.1759 0.0585 17 PHE a N ? ? 1 +24801 C CA . PHE U 7 0.4784 1.0632 1.0228 -0.0094 0.1664 0.0563 17 PHE a CA ? ? 1 +24802 C CB . PHE U 7 0.4591 1.0609 1.0236 -0.0094 0.1692 0.0532 17 PHE a CB ? ? 1 +24803 C CG . PHE U 7 0.4356 1.0460 1.0108 -0.0072 0.1598 0.0510 17 PHE a CG ? ? 1 +24804 C CD1 . PHE U 7 0.4204 1.0345 1.0035 -0.0100 0.1528 0.0516 17 PHE a CD1 ? ? 1 +24805 C CD2 . PHE U 7 0.4300 1.0437 1.0061 -0.0022 0.1578 0.0484 17 PHE a CD2 ? ? 1 +24806 C CE1 . PHE U 7 0.4034 1.0244 0.9952 -0.0079 0.1444 0.0498 17 PHE a CE1 ? ? 1 +24807 C CE2 . PHE U 7 0.4135 1.0340 0.9983 -0.0002 0.1493 0.0466 17 PHE a CE2 ? ? 1 +24808 C CZ . PHE U 7 0.4005 1.0246 0.9931 -0.0031 0.1427 0.0473 17 PHE a CZ ? ? 1 +24809 C C . PHE U 7 0.4688 1.0449 0.9994 -0.0038 0.1605 0.0556 17 PHE a C ? ? 1 +24810 O O . PHE U 7 0.4543 1.0289 0.9839 -0.0025 0.1511 0.0555 17 PHE a O ? ? 1 +24811 N N . CYS U 8 0.4693 1.0399 0.9896 -0.0006 0.1663 0.0550 18 CYS a N ? ? 1 +24812 C CA . CYS U 8 0.4676 1.0294 0.9739 0.0046 0.1617 0.0541 18 CYS a CA ? ? 1 +24813 C CB . CYS U 8 0.4808 1.0386 0.9785 0.0076 0.1701 0.0532 18 CYS a CB ? ? 1 +24814 S SG . CYS U 8 0.4708 1.0449 0.9865 0.0096 0.1746 0.0495 18 CYS a SG ? ? 1 +24815 C C . CYS U 8 0.4675 1.0150 0.9569 0.0049 0.1558 0.0566 18 CYS a C ? ? 1 +24816 O O . CYS U 8 0.4607 1.0046 0.9449 0.0078 0.1472 0.0557 18 CYS a O ? ? 1 +24817 N N . ASN U 9 0.4749 1.0143 0.9559 0.0020 0.1606 0.0595 19 ASN a N ? ? 1 +24818 C CA . ASN U 9 0.4789 1.0049 0.9442 0.0022 0.1554 0.0620 19 ASN a CA ? ? 1 +24819 C CB . ASN U 9 0.4968 1.0137 0.9523 -0.0007 0.1633 0.0651 19 ASN a CB ? ? 1 +24820 C CG . ASN U 9 0.5202 1.0268 0.9593 0.0019 0.1709 0.0655 19 ASN a CG ? ? 1 +24821 O OD1 . ASN U 9 0.5297 1.0322 0.9601 0.0065 0.1685 0.0638 19 ASN a OD1 ? ? 1 +24822 N ND2 . ASN U 9 0.5345 1.0359 0.9684 -0.0010 0.1804 0.0677 19 ASN a ND2 ? ? 1 +24823 C C . ASN U 9 0.4584 0.9884 0.9316 0.0007 0.1456 0.0622 19 ASN a C ? ? 1 +24824 O O . ASN U 9 0.4621 0.9836 0.9244 0.0028 0.1381 0.0628 19 ASN a O ? ? 1 +24825 N N . TRP U 10 0.4381 0.9808 0.9301 -0.0029 0.1458 0.0617 20 TRP a N ? ? 1 +24826 C CA . TRP U 10 0.4203 0.9678 0.9211 -0.0045 0.1371 0.0617 20 TRP a CA ? ? 1 +24827 C CB . TRP U 10 0.4070 0.9666 0.9264 -0.0093 0.1397 0.0617 20 TRP a CB ? ? 1 +24828 C CG . TRP U 10 0.3926 0.9570 0.9207 -0.0105 0.1307 0.0616 20 TRP a CG ? ? 1 +24829 C CD1 . TRP U 10 0.3928 0.9500 0.9148 -0.0120 0.1259 0.0638 20 TRP a CD1 ? ? 1 +24830 N NE1 . TRP U 10 0.3756 0.9402 0.9084 -0.0125 0.1179 0.0628 20 TRP a NE1 ? ? 1 +24831 C CE2 . TRP U 10 0.3668 0.9427 0.9121 -0.0112 0.1170 0.0599 20 TRP a CE2 ? ? 1 +24832 C CZ2 . TRP U 10 0.3518 0.9374 0.9099 -0.0110 0.1103 0.0581 20 TRP a CZ2 ? ? 1 +24833 C CH2 . TRP U 10 0.3468 0.9420 0.9148 -0.0092 0.1111 0.0554 20 TRP a CH2 ? ? 1 +24834 C CZ3 . TRP U 10 0.3559 0.9519 0.9221 -0.0076 0.1186 0.0545 20 TRP a CZ3 ? ? 1 +24835 C CE3 . TRP U 10 0.3703 0.9571 0.9242 -0.0079 0.1255 0.0562 20 TRP a CE3 ? ? 1 +24836 C CD2 . TRP U 10 0.3783 0.9545 0.9211 -0.0098 0.1248 0.0591 20 TRP a CD2 ? ? 1 +24837 C C . TRP U 10 0.4102 0.9625 0.9154 -0.0010 0.1287 0.0591 20 TRP a C ? ? 1 +24838 O O . TRP U 10 0.4089 0.9573 0.9101 -0.0001 0.1202 0.0594 20 TRP a O ? ? 1 +24839 N N . VAL U 11 0.4015 0.9621 0.9148 0.0009 0.1313 0.0565 21 VAL a N ? ? 1 +24840 C CA . VAL U 11 0.3903 0.9553 0.9077 0.0043 0.1243 0.0540 21 VAL a CA ? ? 1 +24841 C CB . VAL U 11 0.3890 0.9635 0.9162 0.0062 0.1293 0.0513 21 VAL a CB ? ? 1 +24842 C CG1 . VAL U 11 0.3846 0.9601 0.9115 0.0104 0.1231 0.0488 21 VAL a CG1 ? ? 1 +24843 C CG2 . VAL U 11 0.3788 0.9675 0.9257 0.0028 0.1321 0.0507 21 VAL a CG2 ? ? 1 +24844 C C . VAL U 11 0.3955 0.9484 0.8959 0.0080 0.1189 0.0538 21 VAL a C ? ? 1 +24845 O O . VAL U 11 0.3873 0.9409 0.8889 0.0093 0.1106 0.0527 21 VAL a O ? ? 1 +24846 N N . THR U 12 0.4113 0.9533 0.8958 0.0097 0.1239 0.0548 22 THR a N ? ? 1 +24847 C CA . THR U 12 0.4209 0.9510 0.8881 0.0133 0.1193 0.0545 22 THR a CA ? ? 1 +24848 C CB . THR U 12 0.4340 0.9580 0.8901 0.0164 0.1263 0.0537 22 THR a CB ? ? 1 +24849 O OG1 . THR U 12 0.4438 0.9634 0.8944 0.0144 0.1350 0.0561 22 THR a OG1 ? ? 1 +24850 C CG2 . THR U 12 0.4284 0.9624 0.8958 0.0182 0.1293 0.0509 22 THR a CG2 ? ? 1 +24851 C C . THR U 12 0.4308 0.9497 0.8849 0.0125 0.1158 0.0572 22 THR a C ? ? 1 +24852 O O . THR U 12 0.4435 0.9512 0.8813 0.0154 0.1132 0.0572 22 THR a O ? ? 1 +24853 N N . SER U 13 0.4267 0.9483 0.8875 0.0087 0.1157 0.0592 23 SER a N ? ? 1 +24854 C CA . SER U 13 0.4378 0.9489 0.8866 0.0080 0.1127 0.0618 23 SER a CA ? ? 1 +24855 C CB . SER U 13 0.4336 0.9484 0.8911 0.0034 0.1152 0.0641 23 SER a CB ? ? 1 +24856 O OG . SER U 13 0.4372 0.9433 0.8854 0.0031 0.1102 0.0663 23 SER a OG ? ? 1 +24857 C C . SER U 13 0.4371 0.9454 0.8822 0.0099 0.1017 0.0610 23 SER a C ? ? 1 +24858 O O . SER U 13 0.4251 0.9426 0.8832 0.0092 0.0960 0.0595 23 SER a O ? ? 1 +24859 N N . THR U 14 0.4539 0.9493 0.8811 0.0123 0.0990 0.0620 24 THR a N ? ? 1 +24860 C CA . THR U 14 0.4535 0.9450 0.8754 0.0141 0.0889 0.0614 24 THR a CA ? ? 1 +24861 C CB . THR U 14 0.4705 0.9487 0.8720 0.0180 0.0875 0.0612 24 THR a CB ? ? 1 +24862 O OG1 . THR U 14 0.4844 0.9521 0.8726 0.0179 0.0929 0.0641 24 THR a OG1 ? ? 1 +24863 C CG2 . THR U 14 0.4757 0.9538 0.8740 0.0207 0.0907 0.0588 24 THR a CG2 ? ? 1 +24864 C C . THR U 14 0.4533 0.9443 0.8777 0.0118 0.0850 0.0636 24 THR a C ? ? 1 +24865 O O . THR U 14 0.4505 0.9384 0.8707 0.0131 0.0767 0.0633 24 THR a O ? ? 1 +24866 N N . ASP U 15 0.4579 0.9521 0.8893 0.0083 0.0909 0.0657 25 ASP a N ? ? 1 +24867 C CA . ASP U 15 0.4561 0.9497 0.8903 0.0059 0.0879 0.0678 25 ASP a CA ? ? 1 +24868 C CB . ASP U 15 0.4747 0.9614 0.9022 0.0037 0.0962 0.0709 25 ASP a CB ? ? 1 +24869 C CG . ASP U 15 0.5038 0.9756 0.9099 0.0067 0.0991 0.0724 25 ASP a CG ? ? 1 +24870 O OD1 . ASP U 15 0.5147 0.9799 0.9094 0.0105 0.0926 0.0715 25 ASP a OD1 ? ? 1 +24871 O OD2 . ASP U 15 0.5201 0.9868 0.9208 0.0051 0.1080 0.0744 25 ASP a OD2 ? ? 1 +24872 C C . ASP U 15 0.4335 0.9405 0.8876 0.0028 0.0851 0.0669 25 ASP a C ? ? 1 +24873 O O . ASP U 15 0.4307 0.9380 0.8884 0.0006 0.0827 0.0685 25 ASP a O ? ? 1 +24874 N N . ASN U 16 0.4203 0.9378 0.8868 0.0026 0.0855 0.0644 26 ASN a N ? ? 1 +24875 C CA . ASN U 16 0.3978 0.9276 0.8824 0.0001 0.0824 0.0634 26 ASN a CA ? ? 1 +24876 C CB . ASN U 16 0.3921 0.9325 0.8893 -0.0003 0.0863 0.0612 26 ASN a CB ? ? 1 +24877 C CG . ASN U 16 0.4015 0.9447 0.9030 -0.0028 0.0961 0.0623 26 ASN a CG ? ? 1 +24878 O OD1 . ASN U 16 0.4135 0.9588 0.9154 -0.0017 0.1018 0.0611 26 ASN a OD1 ? ? 1 +24879 N ND2 . ASN U 16 0.4017 0.9451 0.9069 -0.0064 0.0984 0.0643 26 ASN a ND2 ? ? 1 +24880 C C . ASN U 16 0.3844 0.9149 0.8697 0.0015 0.0722 0.0622 26 ASN a C ? ? 1 +24881 O O . ASN U 16 0.3890 0.9146 0.8655 0.0047 0.0682 0.0608 26 ASN a O ? ? 1 +24882 N N . ARG U 17 0.3652 0.9016 0.8611 -0.0009 0.0683 0.0626 27 ARG a N ? ? 1 +24883 C CA . ARG U 17 0.3523 0.8898 0.8498 0.0001 0.0592 0.0616 27 ARG a CA ? ? 1 +24884 C CB . ARG U 17 0.3395 0.8835 0.8489 -0.0031 0.0569 0.0625 27 ARG a CB ? ? 1 +24885 C CG . ARG U 17 0.3286 0.8747 0.8411 -0.0024 0.0478 0.0614 27 ARG a CG ? ? 1 +24886 C CD . ARG U 17 0.3378 0.8740 0.8360 0.0004 0.0430 0.0617 27 ARG a CD ? ? 1 +24887 N NE . ARG U 17 0.3316 0.8714 0.8347 0.0008 0.0347 0.0604 27 ARG a NE ? ? 1 +24888 C CZ . ARG U 17 0.3262 0.8689 0.8311 0.0022 0.0300 0.0578 27 ARG a CZ ? ? 1 +24889 N NH1 . ARG U 17 0.3312 0.8732 0.8331 0.0036 0.0323 0.0563 27 ARG a NH1 ? ? 1 +24890 N NH2 . ARG U 17 0.3164 0.8626 0.8265 0.0020 0.0229 0.0568 27 ARG a NH2 ? ? 1 +24891 C C . ARG U 17 0.3415 0.8846 0.8441 0.0018 0.0557 0.0586 27 ARG a C ? ? 1 +24892 O O . ARG U 17 0.3349 0.8750 0.8324 0.0038 0.0491 0.0573 27 ARG a O ? ? 1 +24893 N N . LEU U 18 0.3320 0.8831 0.8448 0.0009 0.0603 0.0574 28 LEU a N ? ? 1 +24894 C CA . LEU U 18 0.3246 0.8797 0.8407 0.0030 0.0587 0.0547 28 LEU a CA ? ? 1 +24895 C CB . LEU U 18 0.3091 0.8759 0.8420 0.0012 0.0565 0.0534 28 LEU a CB ? ? 1 +24896 C CG . LEU U 18 0.3007 0.8700 0.8390 -0.0002 0.0492 0.0535 28 LEU a CG ? ? 1 +24897 C CD1 . LEU U 18 0.2879 0.8680 0.8418 -0.0018 0.0479 0.0524 28 LEU a CD1 ? ? 1 +24898 C CD2 . LEU U 18 0.3033 0.8674 0.8337 0.0020 0.0423 0.0522 28 LEU a CD2 ? ? 1 +24899 C C . LEU U 18 0.3307 0.8840 0.8423 0.0043 0.0664 0.0544 28 LEU a C ? ? 1 +24900 O O . LEU U 18 0.3372 0.8943 0.8545 0.0024 0.0731 0.0554 28 LEU a O ? ? 1 +24901 N N . TYR U 19 0.3326 0.8800 0.8341 0.0076 0.0655 0.0529 29 TYR a N ? ? 1 +24902 C CA . TYR U 19 0.3369 0.8822 0.8333 0.0094 0.0726 0.0524 29 TYR a CA ? ? 1 +24903 C CB . TYR U 19 0.3467 0.8829 0.8287 0.0131 0.0702 0.0509 29 TYR a CB ? ? 1 +24904 C CG . TYR U 19 0.3567 0.8897 0.8321 0.0152 0.0778 0.0504 29 TYR a CG ? ? 1 +24905 C CD1 . TYR U 19 0.3696 0.8959 0.8355 0.0150 0.0845 0.0525 29 TYR a CD1 ? ? 1 +24906 C CD2 . TYR U 19 0.3543 0.8907 0.8330 0.0175 0.0786 0.0478 29 TYR a CD2 ? ? 1 +24907 C CE1 . TYR U 19 0.3795 0.9032 0.8397 0.0168 0.0921 0.0520 29 TYR a CE1 ? ? 1 +24908 C CE2 . TYR U 19 0.3641 0.8978 0.8370 0.0197 0.0859 0.0472 29 TYR a CE2 ? ? 1 +24909 C CZ . TYR U 19 0.3761 0.9038 0.8400 0.0193 0.0927 0.0493 29 TYR a CZ ? ? 1 +24910 O OH . TYR U 19 0.3865 0.9117 0.8448 0.0213 0.1004 0.0487 29 TYR a OH ? ? 1 +24911 C C . TYR U 19 0.3237 0.8804 0.8351 0.0089 0.0755 0.0507 29 TYR a C ? ? 1 +24912 O O . TYR U 19 0.3129 0.8754 0.8325 0.0093 0.0704 0.0489 29 TYR a O ? ? 1 +24913 N N . VAL U 20 0.3237 0.8837 0.8388 0.0081 0.0838 0.0513 30 VAL a N ? ? 1 +24914 C CA . VAL U 20 0.3130 0.8835 0.8412 0.0084 0.0872 0.0495 30 VAL a CA ? ? 1 +24915 C CB . VAL U 20 0.3132 0.8903 0.8506 0.0052 0.0949 0.0507 30 VAL a CB ? ? 1 +24916 C CG1 . VAL U 20 0.3066 0.8954 0.8581 0.0057 0.0986 0.0487 30 VAL a CG1 ? ? 1 +24917 C CG2 . VAL U 20 0.3060 0.8858 0.8501 0.0013 0.0921 0.0525 30 VAL a CG2 ? ? 1 +24918 C C . VAL U 20 0.3177 0.8842 0.8378 0.0124 0.0897 0.0476 30 VAL a C ? ? 1 +24919 O O . VAL U 20 0.3126 0.8793 0.8326 0.0148 0.0848 0.0455 30 VAL a O ? ? 1 +24920 N N . GLY U 21 0.3274 0.8895 0.8400 0.0130 0.0974 0.0484 31 GLY a N ? ? 1 +24921 C CA . GLY U 21 0.3348 0.8940 0.8408 0.0167 0.1015 0.0466 31 GLY a CA ? ? 1 +24922 C C . GLY U 21 0.3247 0.8954 0.8450 0.0177 0.1043 0.0444 31 GLY a C ? ? 1 +24923 O O . GLY U 21 0.3104 0.8914 0.8456 0.0157 0.1023 0.0441 31 GLY a O ? ? 1 +24924 N N . TRP U 22 0.3317 0.9000 0.8464 0.0213 0.1084 0.0427 32 TRP a N ? ? 1 +24925 C CA . TRP U 22 0.3254 0.9040 0.8523 0.0230 0.1121 0.0406 32 TRP a CA ? ? 1 +24926 C CB . TRP U 22 0.3409 0.9145 0.8583 0.0264 0.1192 0.0396 32 TRP a CB ? ? 1 +24927 C CG . TRP U 22 0.3532 0.9233 0.8649 0.0244 0.1274 0.0417 32 TRP a CG ? ? 1 +24928 C CD1 . TRP U 22 0.3701 0.9274 0.8640 0.0254 0.1303 0.0429 32 TRP a CD1 ? ? 1 +24929 N NE1 . TRP U 22 0.3772 0.9345 0.8707 0.0227 0.1384 0.0448 32 TRP a NE1 ? ? 1 +24930 C CE2 . TRP U 22 0.3660 0.9364 0.8777 0.0196 0.1407 0.0448 32 TRP a CE2 ? ? 1 +24931 C CZ2 . TRP U 22 0.3685 0.9440 0.8873 0.0158 0.1485 0.0462 32 TRP a CZ2 ? ? 1 +24932 C CH2 . TRP U 22 0.3545 0.9442 0.8928 0.0132 0.1487 0.0454 32 TRP a CH2 ? ? 1 +24933 C CZ3 . TRP U 22 0.3399 0.9382 0.8900 0.0145 0.1415 0.0434 32 TRP a CZ3 ? ? 1 +24934 C CE3 . TRP U 22 0.3387 0.9315 0.8813 0.0183 0.1342 0.0422 32 TRP a CE3 ? ? 1 +24935 C CD2 . TRP U 22 0.3511 0.9299 0.8746 0.0207 0.1338 0.0428 32 TRP a CD2 ? ? 1 +24936 C C . TRP U 22 0.3109 0.8945 0.8456 0.0246 0.1047 0.0385 32 TRP a C ? ? 1 +24937 O O . TRP U 22 0.3019 0.8969 0.8518 0.0241 0.1048 0.0375 32 TRP a O ? ? 1 +24938 N N . PHE U 23 0.3098 0.8850 0.8343 0.0264 0.0981 0.0378 33 PHE a N ? ? 1 +24939 C CA . PHE U 23 0.2964 0.8752 0.8277 0.0271 0.0906 0.0363 33 PHE a CA ? ? 1 +24940 C CB . PHE U 23 0.3010 0.8690 0.8189 0.0287 0.0841 0.0355 33 PHE a CB ? ? 1 +24941 C CG . PHE U 23 0.3106 0.8722 0.8187 0.0331 0.0863 0.0334 33 PHE a CG ? ? 1 +24942 C CD1 . PHE U 23 0.3064 0.8728 0.8211 0.0360 0.0862 0.0311 33 PHE a CD1 ? ? 1 +24943 C CD2 . PHE U 23 0.3248 0.8752 0.8165 0.0346 0.0885 0.0337 33 PHE a CD2 ? ? 1 +24944 C CE1 . PHE U 23 0.3165 0.8765 0.8217 0.0402 0.0883 0.0291 33 PHE a CE1 ? ? 1 +24945 C CE2 . PHE U 23 0.3348 0.8790 0.8171 0.0387 0.0905 0.0316 33 PHE a CE2 ? ? 1 +24946 C CZ . PHE U 23 0.3307 0.8799 0.8200 0.0414 0.0905 0.0293 33 PHE a CZ ? ? 1 +24947 C C . PHE U 23 0.2816 0.8685 0.8256 0.0232 0.0869 0.0376 33 PHE a C ? ? 1 +24948 O O . PHE U 23 0.2701 0.8657 0.8265 0.0233 0.0846 0.0364 33 PHE a O ? ? 1 +24949 N N . GLY U 24 0.2827 0.8663 0.8232 0.0200 0.0866 0.0399 34 GLY a N ? ? 1 +24950 C CA . GLY U 24 0.2705 0.8610 0.8222 0.0162 0.0837 0.0413 34 GLY a CA ? ? 1 +24951 C C . GLY U 24 0.2613 0.8643 0.8292 0.0147 0.0879 0.0409 34 GLY a C ? ? 1 +24952 O O . GLY U 24 0.2490 0.8595 0.8284 0.0128 0.0841 0.0409 34 GLY a O ? ? 1 +24953 N N . VAL U 25 0.2680 0.8733 0.8367 0.0156 0.0959 0.0406 35 VAL a N ? ? 1 +24954 C CA . VAL U 25 0.2610 0.8787 0.8452 0.0143 0.1006 0.0399 35 VAL a CA ? ? 1 +24955 C CB . VAL U 25 0.2715 0.8892 0.8530 0.0153 0.1102 0.0398 35 VAL a CB ? ? 1 +24956 C CG1 . VAL U 25 0.2660 0.8968 0.8629 0.0162 0.1143 0.0377 35 VAL a CG1 ? ? 1 +24957 C CG2 . VAL U 25 0.2778 0.8912 0.8544 0.0114 0.1150 0.0424 35 VAL a CG2 ? ? 1 +24958 C C . VAL U 25 0.2508 0.8773 0.8464 0.0166 0.0968 0.0376 35 VAL a C ? ? 1 +24959 O O . VAL U 25 0.2408 0.8777 0.8507 0.0147 0.0962 0.0373 35 VAL a O ? ? 1 +24960 N N . ILE U 26 0.2544 0.8761 0.8433 0.0208 0.0942 0.0359 36 ILE a N ? ? 1 +24961 C CA . ILE U 26 0.2465 0.8739 0.8434 0.0233 0.0897 0.0338 36 ILE a CA ? ? 1 +24962 C CB . ILE U 26 0.2554 0.8775 0.8441 0.0284 0.0907 0.0318 36 ILE a CB ? ? 1 +24963 C CG1 . ILE U 26 0.2641 0.8892 0.8534 0.0305 0.0995 0.0309 36 ILE a CG1 ? ? 1 +24964 C CG2 . ILE U 26 0.2484 0.8746 0.8437 0.0312 0.0856 0.0298 36 ILE a CG2 ? ? 1 +24965 C CD1 . ILE U 26 0.2561 0.8955 0.8626 0.0306 0.1030 0.0298 36 ILE a CD1 ? ? 1 +24966 C C . ILE U 26 0.2382 0.8638 0.8358 0.0216 0.0811 0.0343 36 ILE a C ? ? 1 +24967 O O . ILE U 26 0.2285 0.8616 0.8370 0.0215 0.0776 0.0335 36 ILE a O ? ? 1 +24968 N N . MET U 27 0.2437 0.8592 0.8293 0.0204 0.0778 0.0356 37 MET a N ? ? 1 +24969 C CA . MET U 27 0.2363 0.8493 0.8213 0.0193 0.0697 0.0358 37 MET a CA ? ? 1 +24970 C CB . MET U 27 0.2439 0.8455 0.8144 0.0187 0.0671 0.0368 37 MET a CB ? ? 1 +24971 C CG . MET U 27 0.2374 0.8366 0.8074 0.0171 0.0588 0.0369 37 MET a CG ? ? 1 +24972 S SD . MET U 27 0.2460 0.8330 0.8001 0.0164 0.0557 0.0381 37 MET a SD ? ? 1 +24973 C CE . MET U 27 0.2422 0.8324 0.8010 0.0124 0.0574 0.0408 37 MET a CE ? ? 1 +24974 C C . MET U 27 0.2254 0.8460 0.8220 0.0155 0.0673 0.0370 37 MET a C ? ? 1 +24975 O O . MET U 27 0.2174 0.8418 0.8207 0.0153 0.0621 0.0363 37 MET a O ? ? 1 +24976 N N . ILE U 28 0.2272 0.8496 0.8257 0.0125 0.0713 0.0388 38 ILE a N ? ? 1 +24977 C CA . ILE U 28 0.2189 0.8465 0.8263 0.0086 0.0689 0.0401 38 ILE a CA ? ? 1 +24978 C CB . ILE U 28 0.2252 0.8508 0.8299 0.0054 0.0737 0.0424 38 ILE a CB ? ? 1 +24979 C CG1 . ILE U 28 0.2352 0.8485 0.8242 0.0055 0.0719 0.0438 38 ILE a CG1 ? ? 1 +24980 C CG2 . ILE U 28 0.2158 0.8484 0.8317 0.0014 0.0726 0.0434 38 ILE a CG2 ? ? 1 +24981 C CD1 . ILE U 28 0.2431 0.8519 0.8265 0.0029 0.0768 0.0462 38 ILE a CD1 ? ? 1 +24982 C C . ILE U 28 0.2082 0.8476 0.8311 0.0084 0.0685 0.0388 38 ILE a C ? ? 1 +24983 O O . ILE U 28 0.1994 0.8419 0.8283 0.0072 0.0630 0.0388 38 ILE a O ? ? 1 +24984 N N . PRO U 29 0.2088 0.8555 0.8391 0.0097 0.0740 0.0377 39 PRO a N ? ? 1 +24985 C CA . PRO U 29 0.1990 0.8571 0.8440 0.0099 0.0730 0.0362 39 PRO a CA ? ? 1 +24986 C CB . PRO U 29 0.2035 0.8680 0.8539 0.0115 0.0803 0.0350 39 PRO a CB ? ? 1 +24987 C CG . PRO U 29 0.2142 0.8715 0.8546 0.0099 0.0859 0.0367 39 PRO a CG ? ? 1 +24988 C CD . PRO U 29 0.2190 0.8640 0.8446 0.0108 0.0816 0.0376 39 PRO a CD ? ? 1 +24989 C C . PRO U 29 0.1941 0.8521 0.8399 0.0130 0.0670 0.0346 39 PRO a C ? ? 1 +24990 O O . PRO U 29 0.1852 0.8495 0.8404 0.0122 0.0630 0.0342 39 PRO a O ? ? 1 +24991 N N . THR U 30 0.2011 0.8519 0.8370 0.0166 0.0664 0.0337 40 THR a N ? ? 1 +24992 C CA . THR U 30 0.1983 0.8483 0.8343 0.0198 0.0616 0.0321 40 THR a CA ? ? 1 +24993 C CB . THR U 30 0.2077 0.8511 0.8340 0.0241 0.0637 0.0307 40 THR a CB ? ? 1 +24994 O OG1 . THR U 30 0.2151 0.8480 0.8279 0.0233 0.0640 0.0317 40 THR a OG1 ? ? 1 +24995 C CG2 . THR U 30 0.2112 0.8615 0.8433 0.0268 0.0707 0.0294 40 THR a CG2 ? ? 1 +24996 C C . THR U 30 0.1941 0.8395 0.8272 0.0177 0.0545 0.0329 40 THR a C ? ? 1 +24997 O O . THR U 30 0.1863 0.8356 0.8260 0.0181 0.0503 0.0322 40 THR a O ? ? 1 +24998 N N . LEU U 31 0.1994 0.8369 0.8230 0.0156 0.0533 0.0344 41 LEU a N ? ? 1 +24999 C CA . LEU U 31 0.1962 0.8302 0.8180 0.0134 0.0469 0.0351 41 LEU a CA ? ? 1 +25000 C CB . LEU U 31 0.2035 0.8282 0.8133 0.0119 0.0460 0.0364 41 LEU a CB ? ? 1 +25001 C CG . LEU U 31 0.2139 0.8291 0.8109 0.0146 0.0455 0.0354 41 LEU a CG ? ? 1 +25002 C CD1 . LEU U 31 0.2194 0.8266 0.8062 0.0129 0.0432 0.0366 41 LEU a CD1 ? ? 1 +25003 C CD2 . LEU U 31 0.2119 0.8256 0.8088 0.0168 0.0411 0.0335 41 LEU a CD2 ? ? 1 +25004 C C . LEU U 31 0.1865 0.8283 0.8196 0.0101 0.0452 0.0361 41 LEU a C ? ? 1 +25005 O O . LEU U 31 0.1794 0.8219 0.8154 0.0093 0.0400 0.0359 41 LEU a O ? ? 1 +25006 N N . LEU U 32 0.1876 0.8350 0.8267 0.0082 0.0498 0.0369 42 LEU a N ? ? 1 +25007 C CA . LEU U 32 0.1791 0.8341 0.8291 0.0051 0.0484 0.0376 42 LEU a CA ? ? 1 +25008 C CB . LEU U 32 0.1810 0.8403 0.8356 0.0024 0.0541 0.0387 42 LEU a CB ? ? 1 +25009 C CG . LEU U 32 0.1860 0.8385 0.8329 -0.0005 0.0551 0.0409 42 LEU a CG ? ? 1 +25010 C CD1 . LEU U 32 0.1886 0.8452 0.8401 -0.0031 0.0615 0.0418 42 LEU a CD1 ? ? 1 +25011 C CD2 . LEU U 32 0.1803 0.8314 0.8279 -0.0030 0.0494 0.0419 42 LEU a CD2 ? ? 1 +25012 C C . LEU U 32 0.1721 0.8350 0.8325 0.0069 0.0463 0.0359 42 LEU a C ? ? 1 +25013 O O . LEU U 32 0.1670 0.8323 0.8323 0.0055 0.0417 0.0360 42 LEU a O ? ? 1 +25014 N N . ALA U 33 0.1739 0.8405 0.8370 0.0102 0.0496 0.0343 43 ALA a N ? ? 1 +25015 C CA . ALA U 33 0.1674 0.8413 0.8397 0.0125 0.0476 0.0326 43 ALA a CA ? ? 1 +25016 C CB . ALA U 33 0.1722 0.8499 0.8467 0.0165 0.0521 0.0309 43 ALA a CB ? ? 1 +25017 C C . ALA U 33 0.1641 0.8328 0.8321 0.0140 0.0413 0.0322 43 ALA a C ? ? 1 +25018 O O . ALA U 33 0.1564 0.8292 0.8310 0.0134 0.0374 0.0320 43 ALA a O ? ? 1 +25019 N N . ALA U 34 0.1707 0.8301 0.8273 0.0158 0.0405 0.0320 44 ALA a N ? ? 1 +25020 C CA . ALA U 34 0.1694 0.8229 0.8210 0.0169 0.0352 0.0315 44 ALA a CA ? ? 1 +25021 C CB . ALA U 34 0.1786 0.8220 0.8175 0.0186 0.0354 0.0311 44 ALA a CB ? ? 1 +25022 C C . ALA U 34 0.1622 0.8149 0.8152 0.0131 0.0305 0.0328 44 ALA a C ? ? 1 +25023 O O . ALA U 34 0.1570 0.8106 0.8130 0.0134 0.0263 0.0324 44 ALA a O ? ? 1 +25024 N N . THR U 35 0.1626 0.8138 0.8133 0.0099 0.0314 0.0344 45 THR a N ? ? 1 +25025 C CA . THR U 35 0.1578 0.8077 0.8089 0.0065 0.0273 0.0356 45 THR a CA ? ? 1 +25026 C CB . THR U 35 0.1614 0.8074 0.8070 0.0039 0.0290 0.0372 45 THR a CB ? ? 1 +25027 O OG1 . THR U 35 0.1693 0.8067 0.8033 0.0055 0.0293 0.0369 45 THR a OG1 ? ? 1 +25028 C CG2 . THR U 35 0.1562 0.8016 0.8030 0.0006 0.0251 0.0385 45 THR a CG2 ? ? 1 +25029 C C . THR U 35 0.1490 0.8072 0.8116 0.0048 0.0258 0.0358 45 THR a C ? ? 1 +25030 O O . THR U 35 0.1432 0.8011 0.8075 0.0039 0.0214 0.0358 45 THR a O ? ? 1 +25031 N N . ILE U 36 0.1482 0.8137 0.8184 0.0043 0.0297 0.0358 46 ILE a N ? ? 1 +25032 C CA . ILE U 36 0.1406 0.8141 0.8217 0.0025 0.0284 0.0358 46 ILE a CA ? ? 1 +25033 C CB . ILE U 36 0.1431 0.8238 0.8315 0.0012 0.0335 0.0359 46 ILE a CB ? ? 1 +25034 C CG1 . ILE U 36 0.1482 0.8248 0.8319 -0.0022 0.0359 0.0378 46 ILE a CG1 ? ? 1 +25035 C CG2 . ILE U 36 0.1354 0.8256 0.8361 0.0001 0.0323 0.0351 46 ILE a CG2 ? ? 1 +25036 C CD1 . ILE U 36 0.1531 0.8347 0.8415 -0.0036 0.0421 0.0379 46 ILE a CD1 ? ? 1 +25037 C C . ILE U 36 0.1356 0.8122 0.8211 0.0052 0.0251 0.0343 46 ILE a C ? ? 1 +25038 O O . ILE U 36 0.1301 0.8085 0.8197 0.0039 0.0212 0.0345 46 ILE a O ? ? 1 +25039 N N . CYS U 37 0.1376 0.8142 0.8218 0.0091 0.0267 0.0329 47 CYS a N ? ? 1 +25040 C CA . CYS U 37 0.1331 0.8113 0.8201 0.0123 0.0236 0.0315 47 CYS a CA ? ? 1 +25041 C CB . CYS U 37 0.1379 0.8170 0.8241 0.0168 0.0266 0.0299 47 CYS a CB ? ? 1 +25042 S SG . CYS U 37 0.1363 0.8177 0.8262 0.0214 0.0231 0.0282 47 CYS a SG ? ? 1 +25043 C C . CYS U 37 0.1310 0.8015 0.8111 0.0122 0.0187 0.0318 47 CYS a C ? ? 1 +25044 O O . CYS U 37 0.1252 0.7971 0.8085 0.0127 0.0152 0.0314 47 CYS a O ? ? 1 +25045 N N . PHE U 38 0.1364 0.7985 0.8066 0.0115 0.0187 0.0323 48 PHE a N ? ? 1 +25046 C CA . PHE U 38 0.1369 0.7917 0.8007 0.0108 0.0143 0.0325 48 PHE a CA ? ? 1 +25047 C CB . PHE U 38 0.1433 0.7899 0.7968 0.0100 0.0147 0.0328 48 PHE a CB ? ? 1 +25048 C CG . PHE U 38 0.1434 0.7834 0.7914 0.0087 0.0103 0.0328 48 PHE a CG ? ? 1 +25049 C CD1 . PHE U 38 0.1463 0.7818 0.7907 0.0110 0.0083 0.0316 48 PHE a CD1 ? ? 1 +25050 C CD2 . PHE U 38 0.1411 0.7795 0.7879 0.0052 0.0082 0.0339 48 PHE a CD2 ? ? 1 +25051 C CE1 . PHE U 38 0.1467 0.7763 0.7865 0.0093 0.0046 0.0315 48 PHE a CE1 ? ? 1 +25052 C CE2 . PHE U 38 0.1410 0.7741 0.7835 0.0038 0.0043 0.0337 48 PHE a CE2 ? ? 1 +25053 C CZ . PHE U 38 0.1440 0.7728 0.7832 0.0057 0.0027 0.0324 48 PHE a CZ ? ? 1 +25054 C C . PHE U 38 0.1285 0.7855 0.7968 0.0074 0.0110 0.0335 48 PHE a C ? ? 1 +25055 O O . PHE U 38 0.1254 0.7819 0.7950 0.0078 0.0076 0.0331 48 PHE a O ? ? 1 +25056 N N . VAL U 39 0.1268 0.7862 0.7973 0.0043 0.0122 0.0347 49 VAL a N ? ? 1 +25057 C CA . VAL U 39 0.1209 0.7821 0.7952 0.0010 0.0094 0.0357 49 VAL a CA ? ? 1 +25058 C CB . VAL U 39 0.1220 0.7843 0.7969 -0.0020 0.0116 0.0372 49 VAL a CB ? ? 1 +25059 C CG1 . VAL U 39 0.1160 0.7811 0.7959 -0.0051 0.0092 0.0381 49 VAL a CG1 ? ? 1 +25060 C CG2 . VAL U 39 0.1289 0.7836 0.7939 -0.0024 0.0120 0.0377 49 VAL a CG2 ? ? 1 +25061 C C . VAL U 39 0.1153 0.7834 0.7986 0.0014 0.0079 0.0352 49 VAL a C ? ? 1 +25062 O O . VAL U 39 0.1114 0.7786 0.7956 0.0005 0.0044 0.0353 49 VAL a O ? ? 1 +25063 N N . ILE U 40 0.1149 0.7899 0.8050 0.0028 0.0107 0.0345 50 ILE a N ? ? 1 +25064 C CA . ILE U 40 0.1096 0.7915 0.8083 0.0034 0.0091 0.0338 50 ILE a CA ? ? 1 +25065 C CB . ILE U 40 0.1098 0.8004 0.8168 0.0044 0.0127 0.0329 50 ILE a CB ? ? 1 +25066 C CG1 . ILE U 40 0.1093 0.8024 0.8190 0.0005 0.0157 0.0340 50 ILE a CG1 ? ? 1 +25067 C CG2 . ILE U 40 0.1055 0.8030 0.8209 0.0059 0.0104 0.0317 50 ILE a CG2 ? ? 1 +25068 C CD1 . ILE U 40 0.1107 0.8114 0.8277 0.0007 0.0200 0.0333 50 ILE a CD1 ? ? 1 +25069 C C . ILE U 40 0.1099 0.7889 0.8063 0.0065 0.0059 0.0328 50 ILE a C ? ? 1 +25070 O O . ILE U 40 0.1055 0.7855 0.8046 0.0058 0.0026 0.0329 50 ILE a O ? ? 1 +25071 N N . ALA U 41 0.1161 0.7910 0.8071 0.0098 0.0070 0.0320 51 ALA a N ? ? 1 +25072 C CA . ALA U 41 0.1190 0.7900 0.8067 0.0131 0.0043 0.0311 51 ALA a CA ? ? 1 +25073 C CB . ALA U 41 0.1257 0.7930 0.8080 0.0168 0.0066 0.0301 51 ALA a CB ? ? 1 +25074 C C . ALA U 41 0.1201 0.7836 0.8015 0.0111 0.0008 0.0318 51 ALA a C ? ? 1 +25075 O O . ALA U 41 0.1190 0.7812 0.8006 0.0119 -0.0022 0.0316 51 ALA a O ? ? 1 +25076 N N . PHE U 42 0.1223 0.7807 0.7980 0.0084 0.0011 0.0326 52 PHE a N ? ? 1 +25077 C CA . PHE U 42 0.1240 0.7761 0.7945 0.0063 -0.0020 0.0331 52 PHE a CA ? ? 1 +25078 C CB . PHE U 42 0.1275 0.7748 0.7920 0.0039 -0.0014 0.0337 52 PHE a CB ? ? 1 +25079 C CG . PHE U 42 0.1291 0.7695 0.7877 0.0021 -0.0044 0.0336 52 PHE a CG ? ? 1 +25080 C CD1 . PHE U 42 0.1252 0.7666 0.7863 -0.0010 -0.0068 0.0344 52 PHE a CD1 ? ? 1 +25081 C CD2 . PHE U 42 0.1360 0.7692 0.7870 0.0036 -0.0048 0.0327 52 PHE a CD2 ? ? 1 +25082 C CE1 . PHE U 42 0.1273 0.7630 0.7836 -0.0029 -0.0093 0.0342 52 PHE a CE1 ? ? 1 +25083 C CE2 . PHE U 42 0.1391 0.7664 0.7853 0.0016 -0.0074 0.0324 52 PHE a CE2 ? ? 1 +25084 C CZ . PHE U 42 0.1337 0.7625 0.7828 -0.0017 -0.0096 0.0332 52 PHE a CZ ? ? 1 +25085 C C . PHE U 42 0.1182 0.7740 0.7944 0.0040 -0.0045 0.0337 52 PHE a C ? ? 1 +25086 O O . PHE U 42 0.1177 0.7699 0.7917 0.0037 -0.0072 0.0337 52 PHE a O ? ? 1 +25087 N N . ILE U 43 0.1149 0.7776 0.7980 0.0023 -0.0034 0.0343 53 ILE a N ? ? 1 +25088 C CA . ILE U 43 0.1097 0.7758 0.7980 0.0000 -0.0057 0.0349 53 ILE a CA ? ? 1 +25089 C CB . ILE U 43 0.1080 0.7791 0.8013 -0.0029 -0.0039 0.0358 53 ILE a CB ? ? 1 +25090 C CG1 . ILE U 43 0.1112 0.7776 0.7988 -0.0052 -0.0031 0.0367 53 ILE a CG1 ? ? 1 +25091 C CG2 . ILE U 43 0.1034 0.7783 0.8024 -0.0051 -0.0061 0.0362 53 ILE a CG2 ? ? 1 +25092 C CD1 . ILE U 43 0.1095 0.7793 0.8004 -0.0077 -0.0011 0.0378 53 ILE a CD1 ? ? 1 +25093 C C . ILE U 43 0.1085 0.7785 0.8017 0.0023 -0.0073 0.0341 53 ILE a C ? ? 1 +25094 O O . ILE U 43 0.1062 0.7746 0.7992 0.0016 -0.0101 0.0343 53 ILE a O ? ? 1 +25095 N N . ALA U 44 0.1103 0.7853 0.8077 0.0052 -0.0055 0.0331 54 ALA a N ? ? 1 +25096 C CA . ALA U 44 0.1077 0.7888 0.8119 0.0070 -0.0069 0.0323 54 ALA a CA ? ? 1 +25097 C CB . ALA U 44 0.1044 0.7943 0.8173 0.0052 -0.0049 0.0322 54 ALA a CB ? ? 1 +25098 C C . ALA U 44 0.1120 0.7939 0.8162 0.0121 -0.0070 0.0309 54 ALA a C ? ? 1 +25099 O O . ALA U 44 0.1121 0.7995 0.8222 0.0140 -0.0084 0.0300 54 ALA a O ? ? 1 +25100 N N . ALA U 45 0.1170 0.7934 0.8147 0.0144 -0.0055 0.0306 55 ALA a N ? ? 1 +25101 C CA . ALA U 45 0.1199 0.7971 0.8177 0.0195 -0.0052 0.0292 55 ALA a CA ? ? 1 +25102 C CB . ALA U 45 0.1263 0.7981 0.8174 0.0213 -0.0025 0.0289 55 ALA a CB ? ? 1 +25103 C C . ALA U 45 0.1205 0.7936 0.8153 0.0219 -0.0089 0.0289 55 ALA a C ? ? 1 +25104 O O . ALA U 45 0.1224 0.7883 0.8112 0.0199 -0.0107 0.0298 55 ALA a O ? ? 1 +25105 N N . PRO U 46 0.1196 0.7969 0.8185 0.0262 -0.0100 0.0277 56 PRO a N ? ? 1 +25106 C CA . PRO U 46 0.1213 0.7936 0.8160 0.0289 -0.0135 0.0276 56 PRO a CA ? ? 1 +25107 C CB . PRO U 46 0.1207 0.8019 0.8236 0.0328 -0.0146 0.0261 56 PRO a CB ? ? 1 +25108 C CG . PRO U 46 0.1205 0.8089 0.8291 0.0338 -0.0109 0.0251 56 PRO a CG ? ? 1 +25109 C CD . PRO U 46 0.1180 0.8055 0.8258 0.0285 -0.0082 0.0264 56 PRO a CD ? ? 1 +25110 C C . PRO U 46 0.1282 0.7902 0.8128 0.0318 -0.0132 0.0274 56 PRO a C ? ? 1 +25111 O O . PRO U 46 0.1310 0.7912 0.8129 0.0323 -0.0104 0.0271 56 PRO a O ? ? 1 +25112 N N A PRO U 47 0.1324 0.7869 0.8107 0.0335 -0.0159 0.0276 57 PRO a N ? ? 1 +25113 N N B PRO U 47 0.1318 0.7865 0.8102 0.0336 -0.0159 0.0276 57 PRO a N ? ? 1 +25114 C CA A PRO U 47 0.1411 0.7850 0.8094 0.0360 -0.0157 0.0274 57 PRO a CA ? ? 1 +25115 C CA B PRO U 47 0.1401 0.7841 0.8085 0.0362 -0.0157 0.0274 57 PRO a CA ? ? 1 +25116 C C A PRO U 47 0.1462 0.7914 0.8144 0.0413 -0.0138 0.0260 57 PRO a C ? ? 1 +25117 C C B PRO U 47 0.1454 0.7903 0.8134 0.0416 -0.0139 0.0260 57 PRO a C ? ? 1 +25118 O O A PRO U 47 0.1452 0.7988 0.8207 0.0448 -0.0139 0.0250 57 PRO a O ? ? 1 +25119 O O B PRO U 47 0.1448 0.7977 0.8198 0.0453 -0.0142 0.0250 57 PRO a O ? ? 1 +25120 C CB A PRO U 47 0.1446 0.7824 0.8083 0.0375 -0.0190 0.0278 57 PRO a CB ? ? 1 +25121 C CB B PRO U 47 0.1437 0.7816 0.8075 0.0375 -0.0190 0.0278 57 PRO a CB ? ? 1 +25122 C CG A PRO U 47 0.1369 0.7797 0.8059 0.0335 -0.0206 0.0287 57 PRO a CG ? ? 1 +25123 C CG B PRO U 47 0.1361 0.7791 0.8053 0.0336 -0.0206 0.0286 57 PRO a CG ? ? 1 +25124 C CD A PRO U 47 0.1300 0.7849 0.8097 0.0328 -0.0192 0.0281 57 PRO a CD ? ? 1 +25125 C CD B PRO U 47 0.1295 0.7845 0.8093 0.0330 -0.0193 0.0280 57 PRO a CD ? ? 1 +25126 N N A VAL U 48 0.1521 0.7889 0.8121 0.0419 -0.0121 0.0259 58 VAL a N ? ? 1 +25127 N N B VAL U 48 0.1507 0.7874 0.8106 0.0421 -0.0122 0.0259 58 VAL a N ? ? 1 +25128 C CA A VAL U 48 0.1581 0.7945 0.8164 0.0467 -0.0099 0.0246 58 VAL a CA ? ? 1 +25129 C CA B VAL U 48 0.1563 0.7926 0.8146 0.0468 -0.0099 0.0246 58 VAL a CA ? ? 1 +25130 C C A VAL U 48 0.1679 0.7931 0.8163 0.0507 -0.0111 0.0242 58 VAL a C ? ? 1 +25131 C C B VAL U 48 0.1661 0.7912 0.8144 0.0509 -0.0110 0.0241 58 VAL a C ? ? 1 +25132 O O A VAL U 48 0.1715 0.7866 0.8116 0.0482 -0.0121 0.0249 58 VAL a O ? ? 1 +25133 O O B VAL U 48 0.1699 0.7848 0.8097 0.0484 -0.0118 0.0248 58 VAL a O ? ? 1 +25134 C CB A VAL U 48 0.1582 0.7941 0.8149 0.0440 -0.0064 0.0246 58 VAL a CB ? ? 1 +25135 C CB B VAL U 48 0.1560 0.7920 0.8128 0.0439 -0.0065 0.0246 58 VAL a CB ? ? 1 +25136 C CG1 A VAL U 48 0.1661 0.7994 0.8189 0.0488 -0.0039 0.0233 58 VAL a CG1 ? ? 1 +25137 C CG1 B VAL U 48 0.1638 0.7972 0.8168 0.0486 -0.0038 0.0233 58 VAL a CG1 ? ? 1 +25138 C CG2 A VAL U 48 0.1493 0.7960 0.8155 0.0406 -0.0048 0.0250 58 VAL a CG2 ? ? 1 +25139 C CG2 B VAL U 48 0.1469 0.7938 0.8134 0.0404 -0.0049 0.0251 58 VAL a CG2 ? ? 1 +25140 N N A ASP U 49 0.1725 0.7994 0.8218 0.0571 -0.0109 0.0229 59 ASP a N ? ? 1 +25141 N N B ASP U 49 0.1701 0.7971 0.8195 0.0573 -0.0108 0.0228 59 ASP a N ? ? 1 +25142 C CA A ASP U 49 0.1828 0.7988 0.8224 0.0617 -0.0118 0.0224 59 ASP a CA ? ? 1 +25143 C CA B ASP U 49 0.1801 0.7964 0.8199 0.0620 -0.0119 0.0223 59 ASP a CA ? ? 1 +25144 C C A ASP U 49 0.1893 0.7982 0.8215 0.0625 -0.0089 0.0217 59 ASP a C ? ? 1 +25145 C C B ASP U 49 0.1866 0.7954 0.8188 0.0628 -0.0090 0.0217 59 ASP a C ? ? 1 +25146 O O A ASP U 49 0.1942 0.8041 0.8263 0.0678 -0.0073 0.0204 59 ASP a O ? ? 1 +25147 O O B ASP U 49 0.1909 0.8010 0.8232 0.0680 -0.0073 0.0203 59 ASP a O ? ? 1 +25148 C CB A ASP U 49 0.1859 0.8066 0.8294 0.0687 -0.0133 0.0212 59 ASP a CB ? ? 1 +25149 C CB B ASP U 49 0.1830 0.8042 0.8270 0.0689 -0.0134 0.0212 59 ASP a CB ? ? 1 +25150 C CG A ASP U 49 0.1977 0.8063 0.8306 0.0735 -0.0149 0.0210 59 ASP a CG ? ? 1 +25151 C CG B ASP U 49 0.1949 0.8042 0.8284 0.0741 -0.0149 0.0209 59 ASP a CG ? ? 1 +25152 O OD1 A ASP U 49 0.2012 0.7998 0.8263 0.0709 -0.0166 0.0222 59 ASP a OD1 ? ? 1 +25153 O OD1 B ASP U 49 0.2000 0.7977 0.8240 0.0714 -0.0158 0.0219 59 ASP a OD1 ? ? 1 +25154 O OD2 A ASP U 49 0.2040 0.8130 0.8365 0.0800 -0.0144 0.0196 59 ASP a OD2 ? ? 1 +25155 O OD2 B ASP U 49 0.1995 0.8113 0.8345 0.0808 -0.0152 0.0196 59 ASP a OD2 ? ? 1 +25156 N N A ILE U 50 0.1893 0.7906 0.8151 0.0574 -0.0085 0.0225 60 ILE a N ? ? 1 +25157 N N B ILE U 50 0.1866 0.7874 0.8120 0.0576 -0.0087 0.0225 60 ILE a N ? ? 1 +25158 C CA A ILE U 50 0.1950 0.7899 0.8140 0.0570 -0.0059 0.0218 60 ILE a CA ? ? 1 +25159 C CA B ILE U 50 0.1918 0.7861 0.8104 0.0570 -0.0061 0.0218 60 ILE a CA ? ? 1 +25160 C C A ILE U 50 0.2067 0.7923 0.8170 0.0628 -0.0055 0.0206 60 ILE a C ? ? 1 +25161 C C B ILE U 50 0.2036 0.7882 0.8132 0.0626 -0.0056 0.0206 60 ILE a C ? ? 1 +25162 O O A ILE U 50 0.2111 0.7969 0.8201 0.0657 -0.0028 0.0194 60 ILE a O ? ? 1 +25163 O O B ILE U 50 0.2080 0.7925 0.8160 0.0651 -0.0029 0.0195 60 ILE a O ? ? 1 +25164 C CB A ILE U 50 0.1942 0.7821 0.8074 0.0505 -0.0063 0.0226 60 ILE a CB ? ? 1 +25165 C CB B ILE U 50 0.1906 0.7783 0.8039 0.0502 -0.0066 0.0227 60 ILE a CB ? ? 1 +25166 C CG1 A ILE U 50 0.2013 0.7821 0.8068 0.0502 -0.0040 0.0217 60 ILE a CG1 ? ? 1 +25167 C CG1 B ILE U 50 0.1969 0.7782 0.8030 0.0496 -0.0042 0.0219 60 ILE a CG1 ? ? 1 +25168 C CG2 A ILE U 50 0.1976 0.7763 0.8047 0.0489 -0.0091 0.0234 60 ILE a CG2 ? ? 1 +25169 C CG2 B ILE U 50 0.1943 0.7724 0.8010 0.0487 -0.0093 0.0234 60 ILE a CG2 ? ? 1 +25170 C CD1 A ILE U 50 0.2006 0.7758 0.8015 0.0439 -0.0046 0.0222 60 ILE a CD1 ? ? 1 +25171 C CD1 B ILE U 50 0.1964 0.7716 0.7975 0.0431 -0.0049 0.0224 60 ILE a CD1 ? ? 1 +25172 N N A ASP U 51 0.2125 0.7894 0.8166 0.0646 -0.0079 0.0209 61 ASP a N ? ? 1 +25173 N N B ASP U 51 0.2097 0.7856 0.8130 0.0645 -0.0081 0.0209 61 ASP a N ? ? 1 +25174 C CA A ASP U 51 0.2252 0.7909 0.8193 0.0696 -0.0077 0.0199 61 ASP a CA ? ? 1 +25175 C CA B ASP U 51 0.2224 0.7872 0.8158 0.0695 -0.0077 0.0199 61 ASP a CA ? ? 1 +25176 C C A ASP U 51 0.2292 0.7981 0.8258 0.0774 -0.0085 0.0191 61 ASP a C ? ? 1 +25177 C C B ASP U 51 0.2261 0.7943 0.8221 0.0774 -0.0085 0.0191 61 ASP a C ? ? 1 +25178 O O A ASP U 51 0.2402 0.7991 0.8282 0.0822 -0.0089 0.0184 61 ASP a O ? ? 1 +25179 O O B ASP U 51 0.2371 0.7953 0.8245 0.0822 -0.0087 0.0184 61 ASP a O ? ? 1 +25180 C CB A ASP U 51 0.2317 0.7835 0.8154 0.0668 -0.0095 0.0206 61 ASP a CB ? ? 1 +25181 C CB B ASP U 51 0.2293 0.7802 0.8123 0.0668 -0.0095 0.0206 61 ASP a CB ? ? 1 +25182 C CG A ASP U 51 0.2303 0.7778 0.8104 0.0599 -0.0085 0.0209 61 ASP a CG ? ? 1 +25183 C CG B ASP U 51 0.2277 0.7744 0.8073 0.0596 -0.0088 0.0210 61 ASP a CG ? ? 1 +25184 O OD1 A ASP U 51 0.2314 0.7796 0.8106 0.0596 -0.0062 0.0199 61 ASP a OD1 ? ? 1 +25185 O OD1 B ASP U 51 0.2295 0.7763 0.8078 0.0589 -0.0066 0.0201 61 ASP a OD1 ? ? 1 +25186 O OD2 A ASP U 51 0.2286 0.7721 0.8067 0.0550 -0.0101 0.0219 61 ASP a OD2 ? ? 1 +25187 O OD2 B ASP U 51 0.2258 0.7692 0.8040 0.0549 -0.0105 0.0220 61 ASP a OD2 ? ? 1 +25188 N N A GLY U 52 0.2207 0.8035 0.8292 0.0788 -0.0089 0.0190 62 GLY a N ? ? 1 +25189 N N B GLY U 52 0.2173 0.7994 0.8252 0.0787 -0.0089 0.0190 62 GLY a N ? ? 1 +25190 C CA A GLY U 52 0.2237 0.8124 0.8368 0.0862 -0.0096 0.0178 62 GLY a CA ? ? 1 +25191 C CA B GLY U 52 0.2203 0.8083 0.8328 0.0861 -0.0095 0.0178 62 GLY a CA ? ? 1 +25192 C C A GLY U 52 0.2309 0.8127 0.8388 0.0903 -0.0132 0.0182 62 GLY a C ? ? 1 +25193 C C B GLY U 52 0.2274 0.8084 0.8347 0.0902 -0.0131 0.0182 62 GLY a C ? ? 1 +25194 O O A GLY U 52 0.2381 0.8200 0.8456 0.0976 -0.0139 0.0170 62 GLY a O ? ? 1 +25195 O O B GLY U 52 0.2348 0.8160 0.8417 0.0975 -0.0138 0.0171 62 GLY a O ? ? 1 +25196 N N A ILE U 53 0.2297 0.8057 0.8339 0.0858 -0.0154 0.0197 63 ILE a N ? ? 1 +25197 N N B ILE U 53 0.2264 0.8014 0.8297 0.0856 -0.0153 0.0198 63 ILE a N ? ? 1 +25198 C CA A ILE U 53 0.2373 0.8051 0.8349 0.0890 -0.0186 0.0204 63 ILE a CA ? ? 1 +25199 C CA B ILE U 53 0.2337 0.8004 0.8304 0.0887 -0.0185 0.0204 63 ILE a CA ? ? 1 +25200 C C A ILE U 53 0.2293 0.8052 0.8344 0.0870 -0.0215 0.0213 63 ILE a C ? ? 1 +25201 C C B ILE U 53 0.2256 0.8005 0.8299 0.0867 -0.0213 0.0214 63 ILE a C ? ? 1 +25202 O O A ILE U 53 0.2333 0.8014 0.8323 0.0868 -0.0240 0.0224 63 ILE a O ? ? 1 +25203 O O B ILE U 53 0.2292 0.7966 0.8276 0.0862 -0.0238 0.0225 63 ILE a O ? ? 1 +25204 C CB A ILE U 53 0.2467 0.7973 0.8304 0.0862 -0.0184 0.0212 63 ILE a CB ? ? 1 +25205 C CB B ILE U 53 0.2429 0.7926 0.8259 0.0857 -0.0184 0.0213 63 ILE a CB ? ? 1 +25206 C CG1 A ILE U 53 0.2392 0.7894 0.8235 0.0772 -0.0175 0.0223 63 ILE a CG1 ? ? 1 +25207 C CG1 B ILE U 53 0.2355 0.7848 0.8191 0.0767 -0.0174 0.0224 63 ILE a CG1 ? ? 1 +25208 C CG2 A ILE U 53 0.2579 0.7992 0.8331 0.0900 -0.0163 0.0200 63 ILE a CG2 ? ? 1 +25209 C CG2 B ILE U 53 0.2543 0.7944 0.8286 0.0896 -0.0163 0.0201 63 ILE a CG2 ? ? 1 +25210 C CD1 A ILE U 53 0.2471 0.7822 0.8197 0.0737 -0.0179 0.0232 63 ILE a CD1 ? ? 1 +25211 C CD1 B ILE U 53 0.2433 0.7778 0.8154 0.0733 -0.0177 0.0232 63 ILE a CD1 ? ? 1 +25212 N N A ARG U 54 0.2191 0.8101 0.8370 0.0855 -0.0210 0.0208 64 ARG a N ? ? 1 +25213 N N B ARG U 54 0.2155 0.8057 0.8327 0.0855 -0.0209 0.0208 64 ARG a N ? ? 1 +25214 C CA A ARG U 54 0.2113 0.8114 0.8374 0.0837 -0.0236 0.0214 64 ARG a CA ? ? 1 +25215 C CA B ARG U 54 0.2075 0.8068 0.8330 0.0835 -0.0234 0.0214 64 ARG a CA ? ? 1 +25216 C C A ARG U 54 0.2110 0.8036 0.8317 0.0774 -0.0247 0.0233 64 ARG a C ? ? 1 +25217 C C B ARG U 54 0.2072 0.7992 0.8274 0.0771 -0.0245 0.0233 64 ARG a C ? ? 1 +25218 O O A ARG U 54 0.2115 0.8027 0.8312 0.0777 -0.0276 0.0240 64 ARG a O ? ? 1 +25219 O O B ARG U 54 0.2077 0.7983 0.8269 0.0776 -0.0275 0.0240 64 ARG a O ? ? 1 +25220 C CB A ARG U 54 0.2155 0.8175 0.8427 0.0911 -0.0270 0.0206 64 ARG a CB ? ? 1 +25221 C CB B ARG U 54 0.2111 0.8127 0.8380 0.0908 -0.0268 0.0207 64 ARG a CB ? ? 1 +25222 C CG A ARG U 54 0.2196 0.8265 0.8500 0.0984 -0.0260 0.0187 64 ARG a CG ? ? 1 +25223 C CG B ARG U 54 0.2152 0.8215 0.8451 0.0981 -0.0258 0.0187 64 ARG a CG ? ? 1 +25224 C CD A ARG U 54 0.2100 0.8311 0.8525 0.0966 -0.0230 0.0175 64 ARG a CD ? ? 1 +25225 C CD B ARG U 54 0.2054 0.8260 0.8475 0.0965 -0.0229 0.0175 64 ARG a CD ? ? 1 +25226 N NE A ARG U 54 0.2145 0.8398 0.8597 0.1035 -0.0214 0.0155 64 ARG a NE ? ? 1 +25227 N NE B ARG U 54 0.2098 0.8348 0.8547 0.1035 -0.0214 0.0155 64 ARG a NE ? ? 1 +25228 C CZ A ARG U 54 0.2158 0.8483 0.8668 0.1103 -0.0238 0.0140 64 ARG a CZ ? ? 1 +25229 C CZ B ARG U 54 0.2106 0.8434 0.8618 0.1101 -0.0238 0.0140 64 ARG a CZ ? ? 1 +25230 N NH1 A ARG U 54 0.2135 0.8495 0.8677 0.1113 -0.0279 0.0142 64 ARG a NH1 ? ? 1 +25231 N NH1 B ARG U 54 0.2079 0.8445 0.8626 0.1110 -0.0279 0.0142 64 ARG a NH1 ? ? 1 +25232 N NH2 A ARG U 54 0.2201 0.8566 0.8737 0.1163 -0.0219 0.0121 64 ARG a NH2 ? ? 1 +25233 N NH2 B ARG U 54 0.2146 0.8517 0.8687 0.1162 -0.0219 0.0121 64 ARG a NH2 ? ? 1 +25234 N N A GLU U 55 0.2115 0.7995 0.8288 0.0717 -0.0222 0.0238 65 GLU a N ? ? 1 +25235 N N B GLU U 55 0.2078 0.7955 0.8248 0.0714 -0.0221 0.0239 65 GLU a N ? ? 1 +25236 C CA A GLU U 55 0.2112 0.7932 0.8243 0.0651 -0.0227 0.0254 65 GLU a CA ? ? 1 +25237 C CA B GLU U 55 0.2079 0.7897 0.8209 0.0648 -0.0226 0.0254 65 GLU a CA ? ? 1 +25238 C C A GLU U 55 0.2019 0.7920 0.8222 0.0589 -0.0207 0.0256 65 GLU a C ? ? 1 +25239 C C B GLU U 55 0.1987 0.7887 0.8190 0.0586 -0.0206 0.0256 65 GLU a C ? ? 1 +25240 O O A GLU U 55 0.2038 0.7890 0.8199 0.0558 -0.0186 0.0256 65 GLU a O ? ? 1 +25241 O O B GLU U 55 0.2009 0.7859 0.8169 0.0555 -0.0185 0.0256 65 GLU a O ? ? 1 +25242 C CB A GLU U 55 0.2229 0.7888 0.8228 0.0644 -0.0220 0.0257 65 GLU a CB ? ? 1 +25243 C CB B GLU U 55 0.2199 0.7856 0.8196 0.0641 -0.0220 0.0258 65 GLU a CB ? ? 1 +25244 C CG A GLU U 55 0.2227 0.7820 0.8182 0.0581 -0.0226 0.0271 65 GLU a CG ? ? 1 +25245 C CG B GLU U 55 0.2194 0.7789 0.8151 0.0575 -0.0225 0.0272 65 GLU a CG ? ? 1 +25246 C CD A GLU U 55 0.2331 0.7777 0.8168 0.0559 -0.0213 0.0272 65 GLU a CD ? ? 1 +25247 C CD B GLU U 55 0.2304 0.7753 0.8144 0.0555 -0.0212 0.0272 65 GLU a CD ? ? 1 +25248 O OE1 A GLU U 55 0.2452 0.7798 0.8202 0.0606 -0.0215 0.0268 65 GLU a OE1 ? ? 1 +25249 O OE1 B GLU U 55 0.2425 0.7769 0.8175 0.0599 -0.0217 0.0271 65 GLU a OE1 ? ? 1 +25250 O OE2 A GLU U 55 0.2300 0.7734 0.8134 0.0495 -0.0202 0.0276 65 GLU a OE2 ? ? 1 +25251 O OE2 B GLU U 55 0.2280 0.7718 0.8117 0.0495 -0.0198 0.0274 65 GLU a OE2 ? ? 1 +25252 N N A PRO U 56 0.1927 0.7952 0.8239 0.0571 -0.0214 0.0257 66 PRO a N ? ? 1 +25253 N N B PRO U 56 0.1897 0.7922 0.8209 0.0570 -0.0213 0.0257 66 PRO a N ? ? 1 +25254 C CA A PRO U 56 0.1838 0.7941 0.8218 0.0519 -0.0194 0.0260 66 PRO a CA ? ? 1 +25255 C CA B PRO U 56 0.1809 0.7916 0.8192 0.0520 -0.0192 0.0259 66 PRO a CA ? ? 1 +25256 C C A PRO U 56 0.1823 0.7865 0.8159 0.0453 -0.0190 0.0271 66 PRO a C ? ? 1 +25257 C C B PRO U 56 0.1787 0.7842 0.8133 0.0452 -0.0190 0.0271 66 PRO a C ? ? 1 +25258 O O A PRO U 56 0.1844 0.7831 0.8141 0.0434 -0.0209 0.0280 66 PRO a O ? ? 1 +25259 O O B PRO U 56 0.1795 0.7812 0.8118 0.0431 -0.0209 0.0281 66 PRO a O ? ? 1 +25260 C CB A PRO U 56 0.1750 0.7980 0.8243 0.0518 -0.0208 0.0259 66 PRO a CB ? ? 1 +25261 C CB B PRO U 56 0.1723 0.7959 0.8220 0.0521 -0.0206 0.0258 66 PRO a CB ? ? 1 +25262 C CG A PRO U 56 0.1801 0.8037 0.8295 0.0584 -0.0232 0.0251 66 PRO a CG ? ? 1 +25263 C CG B PRO U 56 0.1775 0.8014 0.8271 0.0588 -0.0229 0.0249 66 PRO a CG ? ? 1 +25264 C CD A PRO U 56 0.1905 0.7997 0.8274 0.0603 -0.0242 0.0256 66 PRO a CD ? ? 1 +25265 C CD B PRO U 56 0.1874 0.7969 0.8246 0.0602 -0.0241 0.0256 66 PRO a CD ? ? 1 +25266 N N A VAL U 57 0.1801 0.7855 0.8142 0.0421 -0.0166 0.0270 67 VAL a N ? ? 1 +25267 N N B VAL U 57 0.1776 0.7831 0.8118 0.0420 -0.0165 0.0270 67 VAL a N ? ? 1 +25268 C CA A VAL U 57 0.1771 0.7787 0.8085 0.0359 -0.0163 0.0279 67 VAL a CA ? ? 1 +25269 C CA B VAL U 57 0.1751 0.7766 0.8064 0.0358 -0.0163 0.0279 67 VAL a CA ? ? 1 +25270 C C A VAL U 57 0.1666 0.7788 0.8073 0.0320 -0.0158 0.0284 67 VAL a C ? ? 1 +25271 C C B VAL U 57 0.1650 0.7770 0.8055 0.0319 -0.0158 0.0284 67 VAL a C ? ? 1 +25272 O O A VAL U 57 0.1628 0.7827 0.8093 0.0331 -0.0140 0.0279 67 VAL a O ? ? 1 +25273 O O B VAL U 57 0.1609 0.7805 0.8071 0.0328 -0.0140 0.0279 67 VAL a O ? ? 1 +25274 C CB A VAL U 57 0.1834 0.7773 0.8074 0.0352 -0.0144 0.0272 67 VAL a CB ? ? 1 +25275 C CB B VAL U 57 0.1811 0.7751 0.8051 0.0350 -0.0143 0.0272 67 VAL a CB ? ? 1 +25276 C CG1 A VAL U 57 0.1801 0.7720 0.8028 0.0288 -0.0142 0.0278 67 VAL a CG1 ? ? 1 +25277 C CG1 B VAL U 57 0.1780 0.7697 0.8005 0.0285 -0.0143 0.0279 67 VAL a CG1 ? ? 1 +25278 C CG2 A VAL U 57 0.1950 0.7769 0.8089 0.0385 -0.0148 0.0267 67 VAL a CG2 ? ? 1 +25279 C CG2 B VAL U 57 0.1927 0.7750 0.8068 0.0385 -0.0147 0.0267 67 VAL a CG2 ? ? 1 +25280 N N A SER U 58 0.1624 0.7745 0.8041 0.0275 -0.0172 0.0294 68 SER a N ? ? 1 +25281 N N B SER U 58 0.1613 0.7731 0.8028 0.0273 -0.0172 0.0295 68 SER a N ? ? 1 +25282 C CA A SER U 58 0.1527 0.7737 0.8024 0.0237 -0.0170 0.0301 68 SER a CA ? ? 1 +25283 C CA B SER U 58 0.1520 0.7727 0.8015 0.0235 -0.0170 0.0301 68 SER a CA ? ? 1 +25284 C C A SER U 58 0.1516 0.7712 0.7996 0.0196 -0.0154 0.0303 68 SER a C ? ? 1 +25285 C C B SER U 58 0.1510 0.7704 0.7989 0.0195 -0.0154 0.0303 68 SER a C ? ? 1 +25286 O O A SER U 58 0.1567 0.7688 0.7986 0.0168 -0.0159 0.0305 68 SER a O ? ? 1 +25287 O O B SER U 58 0.1570 0.7692 0.7990 0.0167 -0.0159 0.0305 68 SER a O ? ? 1 +25288 C CB A SER U 58 0.1486 0.7701 0.8002 0.0212 -0.0193 0.0310 68 SER a CB ? ? 1 +25289 C CB B SER U 58 0.1482 0.7692 0.7993 0.0211 -0.0193 0.0310 68 SER a CB ? ? 1 +25290 O OG A SER U 58 0.1404 0.7688 0.7984 0.0170 -0.0190 0.0316 68 SER a OG ? ? 1 +25291 O OG B SER U 58 0.1400 0.7693 0.7988 0.0176 -0.0193 0.0316 68 SER a OG ? ? 1 +25292 N N A GLY U 59 0.1468 0.7736 0.8002 0.0191 -0.0135 0.0302 69 GLY a N ? ? 1 +25293 N N B GLY U 59 0.1463 0.7730 0.7995 0.0191 -0.0135 0.0302 69 GLY a N ? ? 1 +25294 C CA A GLY U 59 0.1463 0.7717 0.7974 0.0161 -0.0119 0.0303 69 GLY a CA ? ? 1 +25295 C CA B GLY U 59 0.1455 0.7710 0.7966 0.0161 -0.0119 0.0303 69 GLY a CA ? ? 1 +25296 C C A GLY U 59 0.1385 0.7706 0.7957 0.0121 -0.0117 0.0313 69 GLY a C ? ? 1 +25297 C C B GLY U 59 0.1380 0.7704 0.7954 0.0122 -0.0116 0.0313 69 GLY a C ? ? 1 +25298 O O A GLY U 59 0.1393 0.7694 0.7940 0.0091 -0.0112 0.0316 69 GLY a O ? ? 1 +25299 O O B GLY U 59 0.1393 0.7699 0.7943 0.0094 -0.0108 0.0315 69 GLY a O ? ? 1 +25300 N N . SER U 60 0.1325 0.7722 0.7974 0.0120 -0.0123 0.0317 70 SER a N ? ? 1 +25301 C CA . SER U 60 0.1259 0.7723 0.7969 0.0088 -0.0116 0.0325 70 SER a CA ? ? 1 +25302 C CB . SER U 60 0.1209 0.7766 0.8003 0.0106 -0.0103 0.0321 70 SER a CB ? ? 1 +25303 O OG . SER U 60 0.1167 0.7755 0.8003 0.0119 -0.0126 0.0319 70 SER a OG ? ? 1 +25304 C C . SER U 60 0.1230 0.7691 0.7953 0.0052 -0.0138 0.0333 70 SER a C ? ? 1 +25305 O O . SER U 60 0.1228 0.7657 0.7933 0.0056 -0.0159 0.0333 70 SER a O ? ? 1 +25306 N N . LEU U 61 0.1237 0.7730 0.7989 0.0018 -0.0133 0.0341 71 LEU a N ? ? 1 +25307 C CA . LEU U 61 0.1230 0.7722 0.7993 -0.0018 -0.0151 0.0349 71 LEU a CA ? ? 1 +25308 C CB . LEU U 61 0.1200 0.7724 0.7988 -0.0046 -0.0139 0.0356 71 LEU a CB ? ? 1 +25309 C CG . LEU U 61 0.1256 0.7733 0.7985 -0.0055 -0.0129 0.0356 71 LEU a CG ? ? 1 +25310 C CD1 . LEU U 61 0.1231 0.7731 0.7976 -0.0083 -0.0123 0.0365 71 LEU a CD1 ? ? 1 +25311 C CD2 . LEU U 61 0.1290 0.7696 0.7957 -0.0065 -0.0148 0.0352 71 LEU a CD2 ? ? 1 +25312 C C . LEU U 61 0.1242 0.7772 0.8054 -0.0014 -0.0167 0.0350 71 LEU a C ? ? 1 +25313 O O . LEU U 61 0.1205 0.7704 0.8000 -0.0027 -0.0186 0.0352 71 LEU a O ? ? 1 +25314 N N . LEU U 62 0.1300 0.7898 0.8174 0.0003 -0.0160 0.0346 72 LEU a N ? ? 1 +25315 C CA . LEU U 62 0.1318 0.7961 0.8245 0.0007 -0.0177 0.0345 72 LEU a CA ? ? 1 +25316 C CB . LEU U 62 0.1380 0.8110 0.8386 0.0016 -0.0164 0.0340 72 LEU a CB ? ? 1 +25317 C CG . LEU U 62 0.1431 0.8206 0.8484 -0.0020 -0.0149 0.0347 72 LEU a CG ? ? 1 +25318 C CD1 . LEU U 62 0.1457 0.8318 0.8590 -0.0011 -0.0132 0.0339 72 LEU a CD1 ? ? 1 +25319 C CD2 . LEU U 62 0.1428 0.8206 0.8497 -0.0049 -0.0170 0.0353 72 LEU a CD2 ? ? 1 +25320 C C . LEU U 62 0.1341 0.7945 0.8234 0.0038 -0.0197 0.0340 72 LEU a C ? ? 1 +25321 O O . LEU U 62 0.1307 0.7924 0.8220 0.0038 -0.0218 0.0340 72 LEU a O ? ? 1 +25322 N N . TYR U 63 0.1428 0.7981 0.8266 0.0065 -0.0191 0.0335 73 TYR a N ? ? 1 +25323 C CA . TYR U 63 0.1524 0.8025 0.8316 0.0096 -0.0208 0.0331 73 TYR a CA ? ? 1 +25324 C CB . TYR U 63 0.1601 0.8107 0.8387 0.0144 -0.0199 0.0321 73 TYR a CB ? ? 1 +25325 C CG . TYR U 63 0.1616 0.8219 0.8488 0.0167 -0.0199 0.0313 73 TYR a CG ? ? 1 +25326 C CD1 . TYR U 63 0.1603 0.8282 0.8543 0.0149 -0.0178 0.0312 73 TYR a CD1 ? ? 1 +25327 C CD2 . TYR U 63 0.1673 0.8291 0.8557 0.0208 -0.0219 0.0305 73 TYR a CD2 ? ? 1 +25328 C CE1 . TYR U 63 0.1628 0.8400 0.8652 0.0166 -0.0175 0.0302 73 TYR a CE1 ? ? 1 +25329 C CE2 . TYR U 63 0.1674 0.8388 0.8645 0.0229 -0.0222 0.0294 73 TYR a CE2 ? ? 1 +25330 C CZ . TYR U 63 0.1648 0.8442 0.8692 0.0206 -0.0198 0.0292 73 TYR a CZ ? ? 1 +25331 O OH . TYR U 63 0.1726 0.8619 0.8862 0.0221 -0.0199 0.0280 73 TYR a OH ? ? 1 +25332 C C . TYR U 63 0.1589 0.7993 0.8298 0.0079 -0.0213 0.0336 73 TYR a C ? ? 1 +25333 O O . TYR U 63 0.1688 0.8026 0.8335 0.0104 -0.0217 0.0332 73 TYR a O ? ? 1 +25334 N N . GLY U 64 0.1584 0.7982 0.8294 0.0035 -0.0214 0.0343 74 GLY a N ? ? 1 +25335 C CA . GLY U 64 0.1623 0.7945 0.8273 0.0013 -0.0222 0.0346 74 GLY a CA ? ? 1 +25336 C C . GLY U 64 0.1655 0.7920 0.8250 -0.0002 -0.0210 0.0343 74 GLY a C ? ? 1 +25337 O O . GLY U 64 0.1739 0.7930 0.8274 -0.0011 -0.0214 0.0342 74 GLY a O ? ? 1 +25338 N N . ASN U 65 0.1608 0.7908 0.8224 -0.0008 -0.0196 0.0342 75 ASN a N ? ? 1 +25339 C CA . ASN U 65 0.1588 0.7840 0.8153 -0.0023 -0.0188 0.0338 75 ASN a CA ? ? 1 +25340 C CB . ASN U 65 0.1608 0.7860 0.8157 0.0006 -0.0171 0.0332 75 ASN a CB ? ? 1 +25341 C CG . ASN U 65 0.1677 0.7873 0.8176 0.0043 -0.0171 0.0324 75 ASN a CG ? ? 1 +25342 O OD1 . ASN U 65 0.1712 0.7829 0.8142 0.0039 -0.0172 0.0319 75 ASN a OD1 ? ? 1 +25343 N ND2 . ASN U 65 0.1675 0.7910 0.8207 0.0080 -0.0170 0.0323 75 ASN a ND2 ? ? 1 +25344 C C . ASN U 65 0.1532 0.7815 0.8125 -0.0062 -0.0189 0.0343 75 ASN a C ? ? 1 +25345 O O . ASN U 65 0.1491 0.7838 0.8144 -0.0071 -0.0189 0.0350 75 ASN a O ? ? 1 +25346 N N . ASN U 66 0.1522 0.7756 0.8069 -0.0084 -0.0192 0.0339 76 ASN a N ? ? 1 +25347 C CA . ASN U 66 0.1456 0.7713 0.8018 -0.0113 -0.0193 0.0341 76 ASN a CA ? ? 1 +25348 C CB . ASN U 66 0.1462 0.7688 0.8010 -0.0147 -0.0208 0.0339 76 ASN a CB ? ? 1 +25349 C CG . ASN U 66 0.1530 0.7679 0.8012 -0.0151 -0.0211 0.0327 76 ASN a CG ? ? 1 +25350 O OD1 . ASN U 66 0.1603 0.7719 0.8041 -0.0138 -0.0204 0.0320 76 ASN a OD1 ? ? 1 +25351 N ND2 . ASN U 66 0.1540 0.7653 0.8009 -0.0170 -0.0218 0.0325 76 ASN a ND2 ? ? 1 +25352 C C . ASN U 66 0.1469 0.7709 0.7995 -0.0103 -0.0181 0.0336 76 ASN a C ? ? 1 +25353 O O . ASN U 66 0.1505 0.7721 0.8000 -0.0073 -0.0170 0.0330 76 ASN a O ? ? 1 +25354 N N . ILE U 67 0.1428 0.7677 0.7952 -0.0124 -0.0184 0.0337 77 ILE a N ? ? 1 +25355 C CA . ILE U 67 0.1449 0.7680 0.7932 -0.0116 -0.0174 0.0333 77 ILE a CA ? ? 1 +25356 C CB . ILE U 67 0.1430 0.7678 0.7918 -0.0140 -0.0182 0.0336 77 ILE a CB ? ? 1 +25357 C CG1 . ILE U 67 0.1391 0.7703 0.7939 -0.0144 -0.0175 0.0350 77 ILE a CG1 ? ? 1 +25358 C CG2 . ILE U 67 0.1488 0.7701 0.7917 -0.0133 -0.0177 0.0330 77 ILE a CG2 ? ? 1 +25359 C CD1 . ILE U 67 0.1406 0.7745 0.7967 -0.0121 -0.0150 0.0355 77 ILE a CD1 ? ? 1 +25360 C C . ILE U 67 0.1495 0.7653 0.7906 -0.0107 -0.0175 0.0319 77 ILE a C ? ? 1 +25361 O O . ILE U 67 0.1572 0.7710 0.7946 -0.0084 -0.0160 0.0314 77 ILE a O ? ? 1 +25362 N N . ILE U 68 0.1459 0.7574 0.7850 -0.0125 -0.0191 0.0312 78 ILE a N ? ? 1 +25363 C CA . ILE U 68 0.1496 0.7534 0.7817 -0.0122 -0.0193 0.0297 78 ILE a CA ? ? 1 +25364 C CB . ILE U 68 0.1490 0.7496 0.7801 -0.0159 -0.0212 0.0289 78 ILE a CB ? ? 1 +25365 C CG1 . ILE U 68 0.1437 0.7481 0.7776 -0.0189 -0.0227 0.0289 78 ILE a CG1 ? ? 1 +25366 C CG2 . ILE U 68 0.1577 0.7498 0.7816 -0.0161 -0.0213 0.0273 78 ILE a CG2 ? ? 1 +25367 C CD1 . ILE U 68 0.1468 0.7505 0.7773 -0.0184 -0.0228 0.0283 78 ILE a CD1 ? ? 1 +25368 C C . ILE U 68 0.1523 0.7524 0.7815 -0.0089 -0.0181 0.0295 78 ILE a C ? ? 1 +25369 O O . ILE U 68 0.1588 0.7532 0.7819 -0.0072 -0.0175 0.0284 78 ILE a O ? ? 1 +25370 N N A THR U 69 0.1486 0.7513 0.7817 -0.0078 -0.0181 0.0303 79 THR a N ? ? 1 +25371 N N B THR U 69 0.1481 0.7510 0.7813 -0.0077 -0.0180 0.0304 79 THR a N ? ? 1 +25372 C CA A THR U 69 0.1529 0.7519 0.7833 -0.0043 -0.0174 0.0301 79 THR a CA ? ? 1 +25373 C CA B THR U 69 0.1522 0.7514 0.7827 -0.0042 -0.0174 0.0301 79 THR a CA ? ? 1 +25374 C C A THR U 69 0.1512 0.7550 0.7843 -0.0003 -0.0157 0.0304 79 THR a C ? ? 1 +25375 C C B THR U 69 0.1505 0.7542 0.7833 -0.0003 -0.0156 0.0303 79 THR a C ? ? 1 +25376 O O A THR U 69 0.1577 0.7582 0.7875 0.0033 -0.0149 0.0298 79 THR a O ? ? 1 +25377 O O B THR U 69 0.1583 0.7579 0.7867 0.0029 -0.0146 0.0296 79 THR a O ? ? 1 +25378 C CB A THR U 69 0.1510 0.7495 0.7832 -0.0048 -0.0184 0.0308 79 THR a CB ? ? 1 +25379 C CB B THR U 69 0.1503 0.7491 0.7827 -0.0045 -0.0184 0.0308 79 THR a CB ? ? 1 +25380 O OG1 A THR U 69 0.1425 0.7492 0.7821 -0.0045 -0.0186 0.0319 79 THR a OG1 ? ? 1 +25381 O OG1 B THR U 69 0.1419 0.7488 0.7816 -0.0040 -0.0185 0.0319 79 THR a OG1 ? ? 1 +25382 C CG2 A THR U 69 0.1520 0.7464 0.7822 -0.0091 -0.0196 0.0304 79 THR a CG2 ? ? 1 +25383 C CG2 B THR U 69 0.1510 0.7461 0.7818 -0.0090 -0.0196 0.0305 79 THR a CG2 ? ? 1 +25384 N N A GLY U 70 0.1439 0.7554 0.7831 -0.0010 -0.0151 0.0312 80 GLY a N ? ? 1 +25385 N N B GLY U 70 0.1424 0.7541 0.7818 -0.0009 -0.0151 0.0313 80 GLY a N ? ? 1 +25386 C CA A GLY U 70 0.1414 0.7587 0.7846 0.0021 -0.0133 0.0315 80 GLY a CA ? ? 1 +25387 C CA B GLY U 70 0.1395 0.7569 0.7828 0.0022 -0.0133 0.0315 80 GLY a CA ? ? 1 +25388 C C A GLY U 70 0.1472 0.7616 0.7857 0.0047 -0.0113 0.0306 80 GLY a C ? ? 1 +25389 C C B GLY U 70 0.1451 0.7594 0.7835 0.0049 -0.0113 0.0306 80 GLY a C ? ? 1 +25390 O O A GLY U 70 0.1522 0.7617 0.7851 0.0034 -0.0113 0.0300 80 GLY a O ? ? 1 +25391 O O B GLY U 70 0.1507 0.7594 0.7830 0.0036 -0.0114 0.0299 80 GLY a O ? ? 1 +25392 N N A ALA U 71 0.1466 0.7644 0.7875 0.0086 -0.0096 0.0304 81 ALA a N ? ? 1 +25393 N N B ALA U 71 0.1437 0.7618 0.7848 0.0086 -0.0095 0.0304 81 ALA a N ? ? 1 +25394 C CA A ALA U 71 0.1516 0.7676 0.7888 0.0115 -0.0072 0.0295 81 ALA a CA ? ? 1 +25395 C CA B ALA U 71 0.1483 0.7644 0.7856 0.0116 -0.0071 0.0295 81 ALA a CA ? ? 1 +25396 C C A ALA U 71 0.1485 0.7722 0.7921 0.0148 -0.0050 0.0295 81 ALA a C ? ? 1 +25397 C C B ALA U 71 0.1448 0.7687 0.7886 0.0147 -0.0050 0.0296 81 ALA a C ? ? 1 +25398 O O A ALA U 71 0.1438 0.7728 0.7937 0.0155 -0.0060 0.0299 81 ALA a O ? ? 1 +25399 O O B ALA U 71 0.1400 0.7694 0.7902 0.0153 -0.0059 0.0299 81 ALA a O ? ? 1 +25400 C CB A ALA U 71 0.1600 0.7671 0.7893 0.0139 -0.0076 0.0284 81 ALA a CB ? ? 1 +25401 C CB B ALA U 71 0.1566 0.7639 0.7861 0.0140 -0.0076 0.0284 81 ALA a CB ? ? 1 +25402 N N A VAL U 72 0.1515 0.7758 0.7935 0.0168 -0.0022 0.0290 82 VAL a N ? ? 1 +25403 N N B VAL U 72 0.1476 0.7719 0.7896 0.0168 -0.0021 0.0290 82 VAL a N ? ? 1 +25404 C CA A VAL U 72 0.1519 0.7815 0.7982 0.0209 0.0001 0.0284 82 VAL a CA ? ? 1 +25405 C CA B VAL U 72 0.1479 0.7774 0.7941 0.0210 0.0002 0.0284 82 VAL a CA ? ? 1 +25406 C C A VAL U 72 0.1594 0.7817 0.7990 0.0250 -0.0001 0.0271 82 VAL a C ? ? 1 +25407 C C B VAL U 72 0.1551 0.7771 0.7944 0.0249 -0.0002 0.0271 82 VAL a C ? ? 1 +25408 O O A VAL U 72 0.1662 0.7812 0.7978 0.0253 0.0007 0.0265 82 VAL a O ? ? 1 +25409 O O B VAL U 72 0.1618 0.7764 0.7931 0.0252 0.0005 0.0265 82 VAL a O ? ? 1 +25410 C CB A VAL U 72 0.1521 0.7865 0.8007 0.0210 0.0038 0.0285 82 VAL a CB ? ? 1 +25411 C CB B VAL U 72 0.1484 0.7825 0.7966 0.0212 0.0039 0.0284 82 VAL a CB ? ? 1 +25412 C CG1 A VAL U 72 0.1535 0.7936 0.8069 0.0255 0.0063 0.0275 82 VAL a CG1 ? ? 1 +25413 C CG1 B VAL U 72 0.1497 0.7897 0.8029 0.0256 0.0064 0.0275 82 VAL a CG1 ? ? 1 +25414 C CG2 A VAL U 72 0.1446 0.7851 0.7992 0.0169 0.0039 0.0298 82 VAL a CG2 ? ? 1 +25415 C CG2 B VAL U 72 0.1412 0.7811 0.7950 0.0171 0.0042 0.0297 82 VAL a CG2 ? ? 1 +25416 N N A VAL U 73 0.1585 0.7825 0.8010 0.0282 -0.0013 0.0267 83 VAL a N ? ? 1 +25417 N N B VAL U 73 0.1538 0.7775 0.7961 0.0280 -0.0014 0.0268 83 VAL a N ? ? 1 +25418 C CA A VAL U 73 0.1662 0.7825 0.8021 0.0322 -0.0019 0.0257 83 VAL a CA ? ? 1 +25419 C CA B VAL U 73 0.1611 0.7774 0.7970 0.0321 -0.0021 0.0257 83 VAL a CA ? ? 1 +25420 C C A VAL U 73 0.1714 0.7886 0.8062 0.0371 0.0011 0.0244 83 VAL a C ? ? 1 +25421 C C B VAL U 73 0.1661 0.7833 0.8010 0.0369 0.0010 0.0245 83 VAL a C ? ? 1 +25422 O O A VAL U 73 0.1682 0.7946 0.8108 0.0389 0.0030 0.0242 83 VAL a O ? ? 1 +25423 O O B VAL U 73 0.1626 0.7891 0.8054 0.0387 0.0029 0.0243 83 VAL a O ? ? 1 +25424 C CB A VAL U 73 0.1646 0.7821 0.8035 0.0339 -0.0047 0.0259 83 VAL a CB ? ? 1 +25425 C CB B VAL U 73 0.1594 0.7771 0.7986 0.0339 -0.0047 0.0259 83 VAL a CB ? ? 1 +25426 C CG1 A VAL U 73 0.1738 0.7827 0.8053 0.0384 -0.0054 0.0250 83 VAL a CG1 ? ? 1 +25427 C CG1 B VAL U 73 0.1684 0.7780 0.8006 0.0385 -0.0055 0.0250 83 VAL a CG1 ? ? 1 +25428 C CG2 A VAL U 73 0.1594 0.7758 0.7990 0.0291 -0.0073 0.0271 83 VAL a CG2 ? ? 1 +25429 C CG2 B VAL U 73 0.1547 0.7711 0.7943 0.0291 -0.0074 0.0271 83 VAL a CG2 ? ? 1 +25430 N N A PRO U 74 0.1795 0.7871 0.8049 0.0392 0.0017 0.0235 84 PRO a N ? ? 1 +25431 N N B PRO U 74 0.1740 0.7817 0.7995 0.0391 0.0016 0.0235 84 PRO a N ? ? 1 +25432 C CA A PRO U 74 0.1855 0.7930 0.8090 0.0444 0.0045 0.0221 84 PRO a CA ? ? 1 +25433 C CA B PRO U 74 0.1799 0.7876 0.8037 0.0443 0.0045 0.0222 84 PRO a CA ? ? 1 +25434 C C A PRO U 74 0.1841 0.7978 0.8140 0.0496 0.0044 0.0215 84 PRO a C ? ? 1 +25435 C C B PRO U 74 0.1781 0.7925 0.8086 0.0495 0.0045 0.0215 84 PRO a C ? ? 1 +25436 O O A PRO U 74 0.1818 0.7959 0.8139 0.0501 0.0015 0.0219 84 PRO a O ? ? 1 +25437 O O B PRO U 74 0.1748 0.7907 0.8085 0.0498 0.0016 0.0220 84 PRO a O ? ? 1 +25438 C CB A PRO U 74 0.1960 0.7904 0.8076 0.0453 0.0040 0.0213 84 PRO a CB ? ? 1 +25439 C CB B PRO U 74 0.1905 0.7851 0.8023 0.0454 0.0039 0.0213 84 PRO a CB ? ? 1 +25440 C CG A PRO U 74 0.1940 0.7836 0.8019 0.0393 0.0020 0.0221 84 PRO a CG ? ? 1 +25441 C CG B PRO U 74 0.1886 0.7783 0.7966 0.0393 0.0020 0.0221 84 PRO a CG ? ? 1 +25442 C CD A PRO U 74 0.1843 0.7809 0.8003 0.0364 -0.0001 0.0234 84 PRO a CD ? ? 1 +25443 C CD B PRO U 74 0.1789 0.7756 0.7949 0.0364 -0.0002 0.0235 84 PRO a CD ? ? 1 +25444 N N A SER U 75 0.1859 0.8044 0.8186 0.0536 0.0077 0.0204 85 SER a N ? ? 1 +25445 N N B SER U 75 0.1804 0.7989 0.8131 0.0536 0.0077 0.0204 85 SER a N ? ? 1 +25446 C CA A SER U 75 0.1850 0.8109 0.8248 0.0589 0.0078 0.0194 85 SER a CA ? ? 1 +25447 C CA B SER U 75 0.1796 0.8053 0.8193 0.0589 0.0078 0.0194 85 SER a CA ? ? 1 +25448 C C A SER U 75 0.1925 0.8098 0.8255 0.0637 0.0055 0.0187 85 SER a C ? ? 1 +25449 C C B SER U 75 0.1874 0.8044 0.8201 0.0639 0.0056 0.0186 85 SER a C ? ? 1 +25450 O O A SER U 75 0.2003 0.8057 0.8225 0.0635 0.0051 0.0185 85 SER a O ? ? 1 +25451 O O B SER U 75 0.1950 0.8002 0.8169 0.0636 0.0052 0.0185 85 SER a O ? ? 1 +25452 C CB A SER U 75 0.1863 0.8196 0.8309 0.0618 0.0122 0.0183 85 SER a CB ? ? 1 +25453 C CB B SER U 75 0.1805 0.8141 0.8253 0.0617 0.0122 0.0183 85 SER a CB ? ? 1 +25454 O OG A SER U 75 0.1959 0.8210 0.8312 0.0639 0.0148 0.0174 85 SER a OG ? ? 1 +25455 O OG B SER U 75 0.1876 0.8143 0.8241 0.0618 0.0153 0.0178 85 SER a OG ? ? 1 +25456 N N A SER U 76 0.1905 0.8138 0.8297 0.0681 0.0040 0.0181 86 SER a N ? ? 1 +25457 N N B SER U 76 0.1855 0.8084 0.8243 0.0683 0.0041 0.0180 86 SER a N ? ? 1 +25458 C CA A SER U 76 0.1970 0.8128 0.8304 0.0730 0.0014 0.0176 86 SER a CA ? ? 1 +25459 C CA B SER U 76 0.1921 0.8072 0.8249 0.0731 0.0014 0.0176 86 SER a CA ? ? 1 +25460 C C A SER U 76 0.2080 0.8146 0.8321 0.0778 0.0033 0.0163 86 SER a C ? ? 1 +25461 C C B SER U 76 0.2031 0.8086 0.8262 0.0776 0.0034 0.0163 86 SER a C ? ? 1 +25462 O O A SER U 76 0.2101 0.8207 0.8361 0.0801 0.0069 0.0152 86 SER a O ? ? 1 +25463 O O B SER U 76 0.2053 0.8138 0.8294 0.0790 0.0070 0.0153 86 SER a O ? ? 1 +25464 C CB A SER U 76 0.1938 0.8197 0.8368 0.0775 -0.0003 0.0169 86 SER a CB ? ? 1 +25465 C CB B SER U 76 0.1890 0.8141 0.8313 0.0777 -0.0002 0.0169 86 SER a CB ? ? 1 +25466 O OG A SER U 76 0.2020 0.8210 0.8394 0.0832 -0.0028 0.0163 86 SER a OG ? ? 1 +25467 O OG B SER U 76 0.1972 0.8153 0.8338 0.0833 -0.0028 0.0163 86 SER a OG ? ? 1 +25468 N N A ASN U 77 0.2154 0.8092 0.8291 0.0793 0.0011 0.0164 87 ASN a N ? ? 1 +25469 N N B ASN U 77 0.2106 0.8039 0.8239 0.0796 0.0010 0.0163 87 ASN a N ? ? 1 +25470 C CA A ASN U 77 0.2273 0.8108 0.8312 0.0843 0.0023 0.0151 87 ASN a CA ? ? 1 +25471 C CA B ASN U 77 0.2225 0.8056 0.8260 0.0847 0.0023 0.0150 87 ASN a CA ? ? 1 +25472 C C A ASN U 77 0.2314 0.8211 0.8401 0.0923 0.0031 0.0135 87 ASN a C ? ? 1 +25473 C C B ASN U 77 0.2262 0.8160 0.8350 0.0926 0.0032 0.0135 87 ASN a C ? ? 1 +25474 O O A ASN U 77 0.2400 0.8250 0.8433 0.0969 0.0054 0.0121 87 ASN a O ? ? 1 +25475 O O B ASN U 77 0.2344 0.8203 0.8384 0.0970 0.0057 0.0121 87 ASN a O ? ? 1 +25476 C CB A ASN U 77 0.2344 0.8032 0.8268 0.0839 -0.0004 0.0156 87 ASN a CB ? ? 1 +25477 C CB B ASN U 77 0.2299 0.7983 0.8220 0.0845 -0.0005 0.0155 87 ASN a CB ? ? 1 +25478 C CG A ASN U 77 0.2473 0.8033 0.8279 0.0877 0.0010 0.0144 87 ASN a CG ? ? 1 +25479 C CG B ASN U 77 0.2427 0.7979 0.8227 0.0878 0.0009 0.0143 87 ASN a CG ? ? 1 +25480 O OD1 A ASN U 77 0.2500 0.8029 0.8265 0.0864 0.0036 0.0136 87 ASN a OD1 ? ? 1 +25481 O OD1 B ASN U 77 0.2451 0.7981 0.8216 0.0865 0.0037 0.0136 87 ASN a OD1 ? ? 1 +25482 N ND2 A ASN U 77 0.2563 0.8037 0.8304 0.0926 -0.0009 0.0141 87 ASN a ND2 ? ? 1 +25483 N ND2 B ASN U 77 0.2520 0.7974 0.8245 0.0922 -0.0010 0.0141 87 ASN a ND2 ? ? 1 +25484 N N A ALA U 78 0.2254 0.8257 0.8442 0.0941 0.0011 0.0137 88 ALA a N ? ? 1 +25485 N N B ALA U 78 0.2205 0.8205 0.8390 0.0945 0.0011 0.0136 88 ALA a N ? ? 1 +25486 C CA A ALA U 78 0.2283 0.8365 0.8535 0.1016 0.0015 0.0120 88 ALA a CA ? ? 1 +25487 C CA B ALA U 78 0.2229 0.8316 0.8485 0.1018 0.0016 0.0119 88 ALA a CA ? ? 1 +25488 C C A ALA U 78 0.2269 0.8449 0.8591 0.1026 0.0061 0.0107 88 ALA a C ? ? 1 +25489 C C B ALA U 78 0.2209 0.8399 0.8540 0.1026 0.0062 0.0107 88 ALA a C ? ? 1 +25490 O O A ALA U 78 0.2324 0.8535 0.8665 0.1093 0.0077 0.0089 88 ALA a O ? ? 1 +25491 O O B ALA U 78 0.2257 0.8490 0.8618 0.1092 0.0077 0.0089 88 ALA a O ? ? 1 +25492 C CB A ALA U 78 0.2205 0.8389 0.8558 0.1023 -0.0019 0.0123 88 ALA a CB ? ? 1 +25493 C CB B ALA U 78 0.2153 0.8338 0.8506 0.1025 -0.0019 0.0123 88 ALA a CB ? ? 1 +25494 N N A ILE U 79 0.2206 0.8430 0.8562 0.0961 0.0084 0.0116 89 ILE a N ? ? 1 +25495 N N B ILE U 79 0.2150 0.8378 0.8509 0.0960 0.0085 0.0116 89 ILE a N ? ? 1 +25496 C CA A ILE U 79 0.2195 0.8502 0.8607 0.0959 0.0133 0.0106 89 ILE a CA ? ? 1 +25497 C CA B ILE U 79 0.2140 0.8447 0.8552 0.0957 0.0134 0.0107 89 ILE a CA ? ? 1 +25498 C C A ILE U 79 0.2302 0.8504 0.8603 0.0969 0.0165 0.0100 89 ILE a C ? ? 1 +25499 C C B ILE U 79 0.2251 0.8449 0.8548 0.0967 0.0165 0.0100 89 ILE a C ? ? 1 +25500 O O A ILE U 79 0.2332 0.8578 0.8655 0.1000 0.0207 0.0086 89 ILE a O ? ? 1 +25501 O O B ILE U 79 0.2286 0.8523 0.8601 0.1001 0.0206 0.0086 89 ILE a O ? ? 1 +25502 C CB A ILE U 79 0.2078 0.8470 0.8568 0.0885 0.0142 0.0120 89 ILE a CB ? ? 1 +25503 C CB B ILE U 79 0.2025 0.8414 0.8511 0.0882 0.0144 0.0120 89 ILE a CB ? ? 1 +25504 C CG1 A ILE U 79 0.1989 0.8510 0.8609 0.0883 0.0119 0.0120 89 ILE a CG1 ? ? 1 +25505 C CG1 B ILE U 79 0.1933 0.8445 0.8545 0.0877 0.0118 0.0122 89 ILE a CG1 ? ? 1 +25506 C CG2 A ILE U 79 0.2074 0.8515 0.8587 0.0871 0.0196 0.0115 89 ILE a CG2 ? ? 1 +25507 C CG2 B ILE U 79 0.2020 0.8462 0.8533 0.0869 0.0198 0.0115 89 ILE a CG2 ? ? 1 +25508 C CD1 A ILE U 79 0.1884 0.8468 0.8567 0.0810 0.0118 0.0136 89 ILE a CD1 ? ? 1 +25509 C CD1 B ILE U 79 0.1829 0.8399 0.8500 0.0801 0.0117 0.0138 89 ILE a CD1 ? ? 1 +25510 N N A GLY U 80 0.2367 0.8428 0.8547 0.0941 0.0147 0.0109 90 GLY a N ? ? 1 +25511 N N B GLY U 80 0.2313 0.8373 0.8492 0.0936 0.0147 0.0110 90 GLY a N ? ? 1 +25512 C CA A GLY U 80 0.2472 0.8422 0.8537 0.0944 0.0172 0.0102 90 GLY a CA ? ? 1 +25513 C CA B GLY U 80 0.2421 0.8367 0.8483 0.0940 0.0171 0.0103 90 GLY a CA ? ? 1 +25514 C C A GLY U 80 0.2450 0.8450 0.8536 0.0907 0.0213 0.0103 90 GLY a C ? ? 1 +25515 C C B GLY U 80 0.2402 0.8399 0.8486 0.0904 0.0213 0.0103 90 GLY a C ? ? 1 +25516 O O A GLY U 80 0.2372 0.8401 0.8486 0.0843 0.0208 0.0117 90 GLY a O ? ? 1 +25517 O O B GLY U 80 0.2322 0.8354 0.8438 0.0841 0.0208 0.0118 90 GLY a O ? ? 1 +25518 N N A LEU U 81 0.2531 0.8539 0.8604 0.0950 0.0255 0.0087 91 LEU a N ? ? 1 +25519 N N B LEU U 81 0.2489 0.8489 0.8555 0.0947 0.0254 0.0088 91 LEU a N ? ? 1 +25520 C CA A LEU U 81 0.2531 0.8578 0.8613 0.0924 0.0301 0.0087 91 LEU a CA ? ? 1 +25521 C CA B LEU U 81 0.2489 0.8528 0.8564 0.0921 0.0300 0.0087 91 LEU a CA ? ? 1 +25522 C C A LEU U 81 0.2485 0.8690 0.8702 0.0943 0.0336 0.0080 91 LEU a C ? ? 1 +25523 C C B LEU U 81 0.2440 0.8639 0.8653 0.0936 0.0334 0.0082 91 LEU a C ? ? 1 +25524 O O A LEU U 81 0.2495 0.8737 0.8723 0.0932 0.0383 0.0078 91 LEU a O ? ? 1 +25525 O O B LEU U 81 0.2437 0.8677 0.8666 0.0917 0.0377 0.0082 91 LEU a O ? ? 1 +25526 C CB A LEU U 81 0.2656 0.8592 0.8616 0.0954 0.0329 0.0072 91 LEU a CB ? ? 1 +25527 C CB B LEU U 81 0.2616 0.8548 0.8571 0.0955 0.0329 0.0072 91 LEU a CB ? ? 1 +25528 C CG A LEU U 81 0.2721 0.8499 0.8541 0.0923 0.0303 0.0076 91 LEU a CG ? ? 1 +25529 C CG B LEU U 81 0.2685 0.8456 0.8497 0.0925 0.0304 0.0075 91 LEU a CG ? ? 1 +25530 C CD1 A LEU U 81 0.2850 0.8528 0.8555 0.0956 0.0333 0.0059 91 LEU a CD1 ? ? 1 +25531 C CD1 B LEU U 81 0.2816 0.8488 0.8514 0.0959 0.0335 0.0058 91 LEU a CD1 ? ? 1 +25532 C CD2 A LEU U 81 0.2648 0.8428 0.8466 0.0844 0.0291 0.0093 91 LEU a CD2 ? ? 1 +25533 C CD2 B LEU U 81 0.2615 0.8384 0.8422 0.0847 0.0293 0.0092 91 LEU a CD2 ? ? 1 +25534 N N A HIS U 82 0.2447 0.8742 0.8765 0.0971 0.0315 0.0077 92 HIS a N ? ? 1 +25535 N N B HIS U 82 0.2409 0.8697 0.8720 0.0969 0.0313 0.0078 92 HIS a N ? ? 1 +25536 C CA A HIS U 82 0.2389 0.8845 0.8850 0.0983 0.0343 0.0069 92 HIS a CA ? ? 1 +25537 C CA B HIS U 82 0.2352 0.8800 0.8806 0.0980 0.0341 0.0070 92 HIS a CA ? ? 1 +25538 C C A HIS U 82 0.2307 0.8836 0.8835 0.0909 0.0355 0.0086 92 HIS a C ? ? 1 +25539 C C B HIS U 82 0.2274 0.8798 0.8798 0.0907 0.0353 0.0086 92 HIS a C ? ? 1 +25540 O O A HIS U 82 0.2259 0.8748 0.8762 0.0856 0.0321 0.0103 92 HIS a O ? ? 1 +25541 O O B HIS U 82 0.2223 0.8713 0.8728 0.0853 0.0320 0.0104 92 HIS a O ? ? 1 +25542 C CB A HIS U 82 0.2351 0.8884 0.8902 0.1027 0.0308 0.0061 92 HIS a CB ? ? 1 +25543 C CB B HIS U 82 0.2311 0.8838 0.8857 0.1024 0.0307 0.0062 92 HIS a CB ? ? 1 +25544 C CG A HIS U 82 0.2444 0.8945 0.8963 0.1113 0.0309 0.0042 92 HIS a CG ? ? 1 +25545 C CG B HIS U 82 0.2403 0.8896 0.8915 0.1110 0.0307 0.0043 92 HIS a CG ? ? 1 +25546 N ND1 A HIS U 82 0.2433 0.9057 0.9063 0.1169 0.0324 0.0022 92 HIS a ND1 ? ? 1 +25547 N ND1 B HIS U 82 0.2391 0.9006 0.9013 0.1166 0.0321 0.0023 92 HIS a ND1 ? ? 1 +25548 C CD2 A HIS U 82 0.2551 0.8907 0.8938 0.1149 0.0296 0.0038 92 HIS a CD2 ? ? 1 +25549 C CD2 B HIS U 82 0.2508 0.8856 0.8888 0.1145 0.0294 0.0039 92 HIS a CD2 ? ? 1 +25550 C CE1 A HIS U 82 0.2539 0.9091 0.9101 0.1241 0.0319 0.0008 92 HIS a CE1 ? ? 1 +25551 C CE1 B HIS U 82 0.2497 0.9038 0.9049 0.1238 0.0316 0.0009 92 HIS a CE1 ? ? 1 +25552 N NE2 A HIS U 82 0.2613 0.9000 0.9025 0.1231 0.0302 0.0017 92 HIS a NE2 ? ? 1 +25553 N NE2 B HIS U 82 0.2571 0.8947 0.8974 0.1227 0.0300 0.0019 92 HIS a NE2 ? ? 1 +25554 N N A PHE U 83 0.2304 0.8938 0.8914 0.0908 0.0405 0.0079 93 PHE a N ? ? 1 +25555 N N B PHE U 83 0.2280 0.8908 0.8884 0.0907 0.0404 0.0079 93 PHE a N ? ? 1 +25556 C CA A PHE U 83 0.2232 0.8940 0.8908 0.0842 0.0424 0.0093 93 PHE a CA ? ? 1 +25557 C CA B PHE U 83 0.2213 0.8917 0.8885 0.0842 0.0425 0.0093 93 PHE a CA ? ? 1 +25558 C C A PHE U 83 0.2128 0.8951 0.8936 0.0828 0.0393 0.0095 93 PHE a C ? ? 1 +25559 C C B PHE U 83 0.2111 0.8933 0.8917 0.0828 0.0395 0.0095 93 PHE a C ? ? 1 +25560 O O A PHE U 83 0.2121 0.9035 0.9020 0.0874 0.0391 0.0078 93 PHE a O ? ? 1 +25561 O O B PHE U 83 0.2105 0.9022 0.9005 0.0874 0.0397 0.0078 93 PHE a O ? ? 1 +25562 C CB A PHE U 83 0.2274 0.9043 0.8984 0.0850 0.0494 0.0083 93 PHE a CB ? ? 1 +25563 C CB B PHE U 83 0.2258 0.9023 0.8963 0.0851 0.0495 0.0083 93 PHE a CB ? ? 1 +25564 C CG A PHE U 83 0.2228 0.9054 0.8984 0.0784 0.0525 0.0098 93 PHE a CG ? ? 1 +25565 C CG B PHE U 83 0.2214 0.9034 0.8964 0.0785 0.0525 0.0098 93 PHE a CG ? ? 1 +25566 C CD1 A PHE U 83 0.2227 0.8963 0.8893 0.0729 0.0514 0.0118 93 PHE a CD1 ? ? 1 +25567 C CD1 B PHE U 83 0.2208 0.8941 0.8873 0.0729 0.0512 0.0118 93 PHE a CD1 ? ? 1 +25568 C CD2 A PHE U 83 0.2193 0.9157 0.9080 0.0779 0.0565 0.0090 93 PHE a CD2 ? ? 1 +25569 C CD2 B PHE U 83 0.2183 0.9140 0.9061 0.0780 0.0568 0.0090 93 PHE a CD2 ? ? 1 +25570 C CE1 A PHE U 83 0.2182 0.8961 0.8883 0.0672 0.0542 0.0132 93 PHE a CE1 ? ? 1 +25571 C CE1 B PHE U 83 0.2162 0.8937 0.8860 0.0672 0.0539 0.0133 93 PHE a CE1 ? ? 1 +25572 C CE2 A PHE U 83 0.2151 0.9155 0.9071 0.0718 0.0596 0.0105 93 PHE a CE2 ? ? 1 +25573 C CE2 B PHE U 83 0.2140 0.9137 0.9052 0.0719 0.0598 0.0105 93 PHE a CE2 ? ? 1 +25574 C CZ A PHE U 83 0.2148 0.9056 0.8972 0.0666 0.0584 0.0126 93 PHE a CZ ? ? 1 +25575 C CZ B PHE U 83 0.2131 0.9034 0.8949 0.0666 0.0583 0.0127 93 PHE a CZ ? ? 1 +25576 N N A TYR U 84 0.2048 0.8866 0.8863 0.0765 0.0367 0.0114 94 TYR a N ? ? 1 +25577 N N B TYR U 84 0.2030 0.8847 0.8844 0.0766 0.0368 0.0114 94 TYR a N ? ? 1 +25578 C CA A TYR U 84 0.1958 0.8864 0.8878 0.0748 0.0330 0.0117 94 TYR a CA ? ? 1 +25579 C CA B TYR U 84 0.1944 0.8849 0.8863 0.0749 0.0331 0.0117 94 TYR a CA ? ? 1 +25580 C C A TYR U 84 0.1886 0.8863 0.8877 0.0681 0.0347 0.0131 94 TYR a C ? ? 1 +25581 C C B TYR U 84 0.1878 0.8855 0.8869 0.0682 0.0347 0.0130 94 TYR a C ? ? 1 +25582 O O A TYR U 84 0.1836 0.8781 0.8809 0.0632 0.0315 0.0148 94 TYR a O ? ? 1 +25583 O O B TYR U 84 0.1829 0.8772 0.8800 0.0634 0.0314 0.0148 94 TYR a O ? ? 1 +25584 C CB A TYR U 84 0.1949 0.8762 0.8800 0.0746 0.0269 0.0127 94 TYR a CB ? ? 1 +25585 C CB B TYR U 84 0.1934 0.8746 0.8783 0.0749 0.0270 0.0126 94 TYR a CB ? ? 1 +25586 C CG A TYR U 84 0.1871 0.8759 0.8813 0.0747 0.0225 0.0127 94 TYR a CG ? ? 1 +25587 C CG B TYR U 84 0.1853 0.8741 0.8794 0.0749 0.0226 0.0126 94 TYR a CG ? ? 1 +25588 C CD1 A TYR U 84 0.1865 0.8856 0.8905 0.0798 0.0221 0.0108 94 TYR a CD1 ? ? 1 +25589 C CD1 B TYR U 84 0.1845 0.8836 0.8885 0.0801 0.0223 0.0107 94 TYR a CD1 ? ? 1 +25590 C CD2 A TYR U 84 0.1807 0.8663 0.8735 0.0699 0.0185 0.0144 94 TYR a CD2 ? ? 1 +25591 C CD2 B TYR U 84 0.1785 0.8643 0.8714 0.0700 0.0187 0.0144 94 TYR a CD2 ? ? 1 +25592 C CE1 A TYR U 84 0.1803 0.8860 0.8922 0.0801 0.0177 0.0106 94 TYR a CE1 ? ? 1 +25593 C CE1 B TYR U 84 0.1783 0.8842 0.8903 0.0803 0.0179 0.0105 94 TYR a CE1 ? ? 1 +25594 C CE2 A TYR U 84 0.1747 0.8664 0.8749 0.0701 0.0144 0.0143 94 TYR a CE2 ? ? 1 +25595 C CE2 B TYR U 84 0.1723 0.8646 0.8729 0.0702 0.0146 0.0143 94 TYR a CE2 ? ? 1 +25596 C CZ A TYR U 84 0.1744 0.8760 0.8839 0.0752 0.0139 0.0124 94 TYR a CZ ? ? 1 +25597 C CZ B TYR U 84 0.1720 0.8742 0.8820 0.0753 0.0142 0.0123 94 TYR a CZ ? ? 1 +25598 O OH A TYR U 84 0.1685 0.8760 0.8849 0.0755 0.0095 0.0122 94 TYR a OH ? ? 1 +25599 O OH B TYR U 84 0.1656 0.8740 0.8828 0.0756 0.0099 0.0121 94 TYR a OH ? ? 1 +25600 N N . PRO U 85 0.1884 0.8960 0.8959 0.0676 0.0399 0.0123 95 PRO a N ? ? 1 +25601 C CA . PRO U 85 0.1826 0.8975 0.8976 0.0613 0.0418 0.0134 95 PRO a CA ? ? 1 +25602 C CB . PRO U 85 0.1865 0.9083 0.9062 0.0620 0.0489 0.0123 95 PRO a CB ? ? 1 +25603 C CG . PRO U 85 0.1918 0.9167 0.9137 0.0696 0.0496 0.0098 95 PRO a CG ? ? 1 +25604 C CD . PRO U 85 0.1960 0.9082 0.9060 0.0729 0.0446 0.0102 95 PRO a CD ? ? 1 +25605 C C . PRO U 85 0.1770 0.9021 0.9040 0.0604 0.0380 0.0130 95 PRO a C ? ? 1 +25606 O O . PRO U 85 0.1790 0.9069 0.9094 0.0652 0.0347 0.0115 95 PRO a O ? ? 1 +25607 N N . ILE U 86 0.1733 0.9038 0.9066 0.0545 0.0386 0.0141 96 ILE a N ? ? 1 +25608 C CA . ILE U 86 0.1688 0.9088 0.9134 0.0531 0.0350 0.0136 96 ILE a CA ? ? 1 +25609 C CB . ILE U 86 0.1621 0.9058 0.9113 0.0459 0.0365 0.0151 96 ILE a CB ? ? 1 +25610 C CG1 . ILE U 86 0.1621 0.8936 0.8998 0.0418 0.0342 0.0177 96 ILE a CG1 ? ? 1 +25611 C CG2 . ILE U 86 0.1541 0.9090 0.9163 0.0443 0.0335 0.0142 96 ILE a CG2 ? ? 1 +25612 C CD1 . ILE U 86 0.1579 0.8913 0.8982 0.0352 0.0360 0.0193 96 ILE a CD1 ? ? 1 +25613 C C . ILE U 86 0.1726 0.9256 0.9297 0.0577 0.0360 0.0109 96 ILE a C ? ? 1 +25614 O O . ILE U 86 0.1719 0.9296 0.9348 0.0600 0.0313 0.0098 96 ILE a O ? ? 1 +25615 N N . TRP U 87 0.1795 0.9380 0.9404 0.0591 0.0420 0.0096 97 TRP a N ? ? 1 +25616 C CA . TRP U 87 0.1820 0.9544 0.9564 0.0630 0.0435 0.0067 97 TRP a CA ? ? 1 +25617 C CB . TRP U 87 0.1841 0.9635 0.9640 0.0615 0.0515 0.0060 97 TRP a CB ? ? 1 +25618 C CG . TRP U 87 0.1923 0.9619 0.9603 0.0633 0.0562 0.0066 97 TRP a CG ? ? 1 +25619 C CD1 . TRP U 87 0.1991 0.9674 0.9642 0.0700 0.0581 0.0049 97 TRP a CD1 ? ? 1 +25620 N NE1 . TRP U 87 0.2069 0.9648 0.9598 0.0696 0.0623 0.0060 97 TRP a NE1 ? ? 1 +25621 C CE2 . TRP U 87 0.2037 0.9561 0.9515 0.0627 0.0629 0.0085 97 TRP a CE2 ? ? 1 +25622 C CZ2 . TRP U 87 0.2093 0.9509 0.9448 0.0600 0.0662 0.0103 97 TRP a CZ2 ? ? 1 +25623 C CH2 . TRP U 87 0.2052 0.9434 0.9382 0.0533 0.0656 0.0127 97 TRP a CH2 ? ? 1 +25624 C CZ3 . TRP U 87 0.1955 0.9404 0.9377 0.0492 0.0622 0.0132 97 TRP a CZ3 ? ? 1 +25625 C CE3 . TRP U 87 0.1900 0.9456 0.9443 0.0517 0.0591 0.0114 97 TRP a CE3 ? ? 1 +25626 C CD2 . TRP U 87 0.1942 0.9536 0.9514 0.0587 0.0592 0.0090 97 TRP a CD2 ? ? 1 +25627 C C . TRP U 87 0.1915 0.9625 0.9637 0.0713 0.0409 0.0049 97 TRP a C ? ? 1 +25628 O O . TRP U 87 0.1895 0.9720 0.9728 0.0754 0.0410 0.0024 97 TRP a O ? ? 1 +25629 N N . GLU U 88 0.2013 0.9583 0.9594 0.0736 0.0383 0.0061 98 GLU a N ? ? 1 +25630 C CA . GLU U 88 0.2111 0.9647 0.9655 0.0812 0.0352 0.0047 98 GLU a CA ? ? 1 +25631 C CB . GLU U 88 0.2262 0.9648 0.9649 0.0836 0.0365 0.0055 98 GLU a CB ? ? 1 +25632 C CG . GLU U 88 0.2389 0.9792 0.9770 0.0859 0.0434 0.0043 98 GLU a CG ? ? 1 +25633 C CD . GLU U 88 0.2503 1.0007 0.9975 0.0931 0.0447 0.0014 98 GLU a CD ? ? 1 +25634 O OE1 . GLU U 88 0.2636 1.0102 1.0076 0.0991 0.0406 0.0004 98 GLU a OE1 ? ? 1 +25635 O OE2 . GLU U 88 0.2539 1.0158 1.0114 0.0928 0.0500 -0.0001 98 GLU a OE2 ? ? 1 +25636 C C . GLU U 88 0.2042 0.9564 0.9590 0.0822 0.0279 0.0050 98 GLU a C ? ? 1 +25637 O O . GLU U 88 0.2121 0.9610 0.9636 0.0885 0.0246 0.0040 98 GLU a O ? ? 1 +25638 N N . ALA U 89 0.1907 0.9451 0.9491 0.0762 0.0255 0.0064 99 ALA a N ? ? 1 +25639 C CA . ALA U 89 0.1838 0.9375 0.9430 0.0766 0.0189 0.0067 99 ALA a CA ? ? 1 +25640 C CB . ALA U 89 0.1791 0.9236 0.9306 0.0701 0.0167 0.0095 99 ALA a CB ? ? 1 +25641 C C . ALA U 89 0.1738 0.9432 0.9489 0.0766 0.0174 0.0048 99 ALA a C ? ? 1 +25642 O O . ALA U 89 0.1685 0.9476 0.9531 0.0727 0.0213 0.0042 99 ALA a O ? ? 1 +25643 N N . ALA U 90 0.1721 0.9433 0.9493 0.0807 0.0117 0.0038 100 ALA a N ? ? 1 +25644 C CA . ALA U 90 0.1655 0.9509 0.9572 0.0807 0.0092 0.0019 100 ALA a CA ? ? 1 +25645 C CB . ALA U 90 0.1682 0.9532 0.9592 0.0875 0.0029 0.0006 100 ALA a CB ? ? 1 +25646 C C . ALA U 90 0.1570 0.9445 0.9523 0.0729 0.0080 0.0033 100 ALA a C ? ? 1 +25647 O O . ALA U 90 0.1511 0.9511 0.9592 0.0705 0.0079 0.0018 100 ALA a O ? ? 1 +25648 N N . SER U 91 0.1565 0.9315 0.9404 0.0687 0.0070 0.0061 101 SER a N ? ? 1 +25649 C CA . SER U 91 0.1500 0.9258 0.9361 0.0615 0.0061 0.0076 101 SER a CA ? ? 1 +25650 C CB . SER U 91 0.1485 0.9258 0.9369 0.0622 -0.0004 0.0073 101 SER a CB ? ? 1 +25651 O OG . SER U 91 0.1538 0.9186 0.9299 0.0654 -0.0043 0.0086 101 SER a OG ? ? 1 +25652 C C . SER U 91 0.1507 0.9132 0.9242 0.0571 0.0074 0.0106 101 SER a C ? ? 1 +25653 O O . SER U 91 0.1562 0.9082 0.9187 0.0598 0.0079 0.0114 101 SER a O ? ? 1 +25654 N N . LEU U 92 0.1447 0.9078 0.9200 0.0503 0.0079 0.0120 102 LEU a N ? ? 1 +25655 C CA . LEU U 92 0.1474 0.8987 0.9116 0.0461 0.0082 0.0147 102 LEU a CA ? ? 1 +25656 C CB . LEU U 92 0.1438 0.8981 0.9123 0.0389 0.0093 0.0160 102 LEU a CB ? ? 1 +25657 C CG . LEU U 92 0.1468 0.9057 0.9194 0.0357 0.0156 0.0160 102 LEU a CG ? ? 1 +25658 C CD1 . LEU U 92 0.1427 0.9050 0.9202 0.0290 0.0164 0.0170 102 LEU a CD1 ? ? 1 +25659 C CD2 . LEU U 92 0.1532 0.9016 0.9141 0.0358 0.0190 0.0175 102 LEU a CD2 ? ? 1 +25660 C C . LEU U 92 0.1475 0.8883 0.9020 0.0479 0.0030 0.0157 102 LEU a C ? ? 1 +25661 O O . LEU U 92 0.1501 0.8796 0.8933 0.0474 0.0034 0.0173 102 LEU a O ? ? 1 +25662 N N . ASP U 93 0.1431 0.8878 0.9020 0.0501 -0.0017 0.0148 103 ASP a N ? ? 1 +25663 C CA . ASP U 93 0.1424 0.8774 0.8923 0.0517 -0.0065 0.0158 103 ASP a CA ? ? 1 +25664 C CB . ASP U 93 0.1408 0.8819 0.8970 0.0535 -0.0115 0.0147 103 ASP a CB ? ? 1 +25665 C CG . ASP U 93 0.1342 0.8831 0.8992 0.0480 -0.0123 0.0147 103 ASP a CG ? ? 1 +25666 O OD1 . ASP U 93 0.1291 0.8722 0.8895 0.0430 -0.0125 0.0167 103 ASP a OD1 ? ? 1 +25667 O OD2 . ASP U 93 0.1365 0.8980 0.9137 0.0488 -0.0126 0.0126 103 ASP a OD2 ? ? 1 +25668 C C . ASP U 93 0.1468 0.8730 0.8872 0.0574 -0.0064 0.0156 103 ASP a C ? ? 1 +25669 O O . ASP U 93 0.1506 0.8646 0.8796 0.0568 -0.0076 0.0172 103 ASP a O ? ? 1 +25670 N N . GLU U 94 0.1448 0.8771 0.8900 0.0627 -0.0047 0.0136 104 GLU a N ? ? 1 +25671 C CA . GLU U 94 0.1501 0.8743 0.8865 0.0682 -0.0040 0.0132 104 GLU a CA ? ? 1 +25672 C CB . GLU U 94 0.1527 0.8863 0.8970 0.0742 -0.0021 0.0107 104 GLU a CB ? ? 1 +25673 C CG . GLU U 94 0.1622 0.8873 0.8973 0.0800 -0.0008 0.0102 104 GLU a CG ? ? 1 +25674 C CD . GLU U 94 0.1655 0.9001 0.9084 0.0844 0.0030 0.0079 104 GLU a CD ? ? 1 +25675 O OE1 . GLU U 94 0.1628 0.9097 0.9172 0.0874 0.0016 0.0058 104 GLU a OE1 ? ? 1 +25676 O OE2 . GLU U 94 0.1711 0.9012 0.9087 0.0849 0.0074 0.0079 104 GLU a OE2 ? ? 1 +25677 C C . GLU U 94 0.1500 0.8649 0.8772 0.0651 -0.0002 0.0147 104 GLU a C ? ? 1 +25678 O O . GLU U 94 0.1551 0.8577 0.8706 0.0660 -0.0013 0.0157 104 GLU a O ? ? 1 +25679 N N . TRP U 95 0.1434 0.8644 0.8760 0.0614 0.0044 0.0148 105 TRP a N ? ? 1 +25680 C CA . TRP U 95 0.1447 0.8581 0.8692 0.0587 0.0082 0.0160 105 TRP a CA ? ? 1 +25681 C CB . TRP U 95 0.1410 0.8633 0.8735 0.0546 0.0129 0.0159 105 TRP a CB ? ? 1 +25682 C CG . TRP U 95 0.1466 0.8627 0.8718 0.0528 0.0176 0.0168 105 TRP a CG ? ? 1 +25683 C CD1 . TRP U 95 0.1549 0.8682 0.8757 0.0569 0.0209 0.0158 105 TRP a CD1 ? ? 1 +25684 N NE1 . TRP U 95 0.1577 0.8653 0.8718 0.0536 0.0247 0.0169 105 TRP a NE1 ? ? 1 +25685 C CE2 . TRP U 95 0.1510 0.8577 0.8653 0.0475 0.0236 0.0187 105 TRP a CE2 ? ? 1 +25686 C CZ2 . TRP U 95 0.1516 0.8532 0.8602 0.0427 0.0259 0.0204 105 TRP a CZ2 ? ? 1 +25687 C CH2 . TRP U 95 0.1448 0.8470 0.8553 0.0373 0.0240 0.0220 105 TRP a CH2 ? ? 1 +25688 C CZ3 . TRP U 95 0.1376 0.8451 0.8552 0.0364 0.0200 0.0219 105 TRP a CZ3 ? ? 1 +25689 C CE3 . TRP U 95 0.1375 0.8499 0.8605 0.0410 0.0176 0.0203 105 TRP a CE3 ? ? 1 +25690 C CD2 . TRP U 95 0.1441 0.8562 0.8654 0.0467 0.0193 0.0187 105 TRP a CD2 ? ? 1 +25691 C C . TRP U 95 0.1413 0.8431 0.8556 0.0544 0.0059 0.0182 105 TRP a C ? ? 1 +25692 O O . TRP U 95 0.1459 0.8374 0.8497 0.0545 0.0070 0.0188 105 TRP a O ? ? 1 +25693 N N . LEU U 96 0.1321 0.8360 0.8498 0.0506 0.0028 0.0191 106 LEU a N ? ? 1 +25694 C CA . LEU U 96 0.1292 0.8237 0.8388 0.0463 0.0007 0.0211 106 LEU a CA ? ? 1 +25695 C CB . LEU U 96 0.1199 0.8202 0.8365 0.0419 -0.0015 0.0218 106 LEU a CB ? ? 1 +25696 C CG . LEU U 96 0.1139 0.8226 0.8384 0.0375 0.0018 0.0220 106 LEU a CG ? ? 1 +25697 C CD1 . LEU U 96 0.1066 0.8205 0.8376 0.0337 -0.0009 0.0225 106 LEU a CD1 ? ? 1 +25698 C CD2 . LEU U 96 0.1154 0.8177 0.8331 0.0339 0.0049 0.0234 106 LEU a CD2 ? ? 1 +25699 C C . LEU U 96 0.1344 0.8183 0.8344 0.0495 -0.0027 0.0213 106 LEU a C ? ? 1 +25700 O O . LEU U 96 0.1378 0.8112 0.8280 0.0476 -0.0028 0.0223 106 LEU a O ? ? 1 +25701 N N A TYR U 97 0.1361 0.8226 0.8388 0.0544 -0.0055 0.0201 107 TYR a N ? ? 1 +25702 N N B TYR U 97 0.1355 0.8219 0.8382 0.0543 -0.0056 0.0201 107 TYR a N ? ? 1 +25703 C CA A TYR U 97 0.1423 0.8186 0.8358 0.0579 -0.0086 0.0203 107 TYR a CA ? ? 1 +25704 C CA B TYR U 97 0.1415 0.8176 0.8348 0.0577 -0.0087 0.0203 107 TYR a CA ? ? 1 +25705 C C A TYR U 97 0.1509 0.8175 0.8346 0.0605 -0.0064 0.0201 107 TYR a C ? ? 1 +25706 C C B TYR U 97 0.1499 0.8162 0.8333 0.0603 -0.0064 0.0201 107 TYR a C ? ? 1 +25707 O O A TYR U 97 0.1559 0.8107 0.8291 0.0599 -0.0078 0.0209 107 TYR a O ? ? 1 +25708 O O B TYR U 97 0.1544 0.8090 0.8274 0.0591 -0.0075 0.0211 107 TYR a O ? ? 1 +25709 C CB A TYR U 97 0.1436 0.8255 0.8423 0.0635 -0.0117 0.0189 107 TYR a CB ? ? 1 +25710 C CB B TYR U 97 0.1426 0.8239 0.8408 0.0633 -0.0118 0.0189 107 TYR a CB ? ? 1 +25711 C CG A TYR U 97 0.1514 0.8224 0.8403 0.0675 -0.0150 0.0191 107 TYR a CG ? ? 1 +25712 C CG B TYR U 97 0.1504 0.8208 0.8387 0.0675 -0.0150 0.0192 107 TYR a CG ? ? 1 +25713 C CD1 A TYR U 97 0.1607 0.8248 0.8425 0.0730 -0.0141 0.0183 107 TYR a CD1 ? ? 1 +25714 C CD1 B TYR U 97 0.1595 0.8230 0.8407 0.0728 -0.0140 0.0184 107 TYR a CD1 ? ? 1 +25715 C CD2 A TYR U 97 0.1502 0.8171 0.8362 0.0659 -0.0188 0.0202 107 TYR a CD2 ? ? 1 +25716 C CD2 B TYR U 97 0.1493 0.8158 0.8349 0.0662 -0.0189 0.0202 107 TYR a CD2 ? ? 1 +25717 C CE1 A TYR U 97 0.1689 0.8219 0.8408 0.0767 -0.0170 0.0186 107 TYR a CE1 ? ? 1 +25718 C CE1 B TYR U 97 0.1677 0.8202 0.8392 0.0766 -0.0168 0.0187 107 TYR a CE1 ? ? 1 +25719 C CE2 A TYR U 97 0.1583 0.8143 0.8345 0.0694 -0.0215 0.0206 107 TYR a CE2 ? ? 1 +25720 C CE2 B TYR U 97 0.1574 0.8132 0.8333 0.0699 -0.0216 0.0205 107 TYR a CE2 ? ? 1 +25721 C CZ A TYR U 97 0.1678 0.8167 0.8369 0.0748 -0.0206 0.0198 107 TYR a CZ ? ? 1 +25722 C CZ B TYR U 97 0.1668 0.8154 0.8356 0.0751 -0.0205 0.0198 107 TYR a CZ ? ? 1 +25723 O OH A TYR U 97 0.1770 0.8143 0.8358 0.0783 -0.0231 0.0202 107 TYR a OH ? ? 1 +25724 O OH B TYR U 97 0.1763 0.8134 0.8348 0.0789 -0.0229 0.0201 107 TYR a OH ? ? 1 +25725 N N A ASN U 98 0.1524 0.8240 0.8394 0.0632 -0.0028 0.0188 108 ASN a N ? ? 1 +25726 N N B ASN U 98 0.1515 0.8228 0.8382 0.0635 -0.0030 0.0187 108 ASN a N ? ? 1 +25727 C CA A ASN U 98 0.1611 0.8244 0.8393 0.0666 -0.0006 0.0182 108 ASN a CA ? ? 1 +25728 C CA B ASN U 98 0.1601 0.8229 0.8379 0.0668 -0.0008 0.0182 108 ASN a CA ? ? 1 +25729 C C A ASN U 98 0.1616 0.8192 0.8337 0.0621 0.0025 0.0191 108 ASN a C ? ? 1 +25730 C C B ASN U 98 0.1602 0.8179 0.8324 0.0623 0.0025 0.0190 108 ASN a C ? ? 1 +25731 O O A ASN U 98 0.1690 0.8199 0.8338 0.0644 0.0047 0.0185 108 ASN a O ? ? 1 +25732 O O B ASN U 98 0.1679 0.8185 0.8325 0.0647 0.0046 0.0184 108 ASN a O ? ? 1 +25733 C CB A ASN U 98 0.1640 0.8352 0.8483 0.0726 0.0018 0.0161 108 ASN a CB ? ? 1 +25734 C CB B ASN U 98 0.1631 0.8337 0.8470 0.0730 0.0014 0.0161 108 ASN a CB ? ? 1 +25735 C CG A ASN U 98 0.1662 0.8402 0.8536 0.0786 -0.0017 0.0149 108 ASN a CG ? ? 1 +25736 C CG B ASN U 98 0.1645 0.8383 0.8519 0.0786 -0.0023 0.0150 108 ASN a CG ? ? 1 +25737 O OD1 A ASN U 98 0.1748 0.8424 0.8559 0.0844 -0.0022 0.0141 108 ASN a OD1 ? ? 1 +25738 O OD1 B ASN U 98 0.1722 0.8367 0.8511 0.0829 -0.0045 0.0149 108 ASN a OD1 ? ? 1 +25739 N ND2 A ASN U 98 0.1591 0.8425 0.8559 0.0775 -0.0042 0.0148 108 ASN a ND2 ? ? 1 +25740 N ND2 B ASN U 98 0.1576 0.8442 0.8571 0.0785 -0.0032 0.0143 108 ASN a ND2 ? ? 1 +25741 N N A GLY U 99 0.1543 0.8144 0.8292 0.0558 0.0025 0.0205 109 GLY a N ? ? 1 +25742 N N B GLY U 99 0.1529 0.8138 0.8285 0.0561 0.0027 0.0203 109 GLY a N ? ? 1 +25743 C CA A GLY U 99 0.1548 0.8094 0.8237 0.0515 0.0048 0.0214 109 GLY a CA ? ? 1 +25744 C CA B GLY U 99 0.1534 0.8083 0.8226 0.0516 0.0048 0.0214 109 GLY a CA ? ? 1 +25745 C C A GLY U 99 0.1550 0.8154 0.8275 0.0514 0.0096 0.0208 109 GLY a C ? ? 1 +25746 C C B GLY U 99 0.1538 0.8137 0.8258 0.0513 0.0096 0.0209 109 GLY a C ? ? 1 +25747 O O A GLY U 99 0.1597 0.8137 0.8248 0.0504 0.0119 0.0210 109 GLY a O ? ? 1 +25748 O O B GLY U 99 0.1585 0.8115 0.8227 0.0501 0.0117 0.0211 109 GLY a O ? ? 1 +25749 N N A GLY U 100 0.1505 0.8229 0.8342 0.0524 0.0111 0.0201 110 GLY a N ? ? 1 +25750 N N B GLY U 100 0.1495 0.8214 0.8326 0.0521 0.0115 0.0202 110 GLY a N ? ? 1 +25751 C CA A GLY U 100 0.1500 0.8288 0.8380 0.0518 0.0162 0.0196 110 GLY a CA ? ? 1 +25752 C CA B GLY U 100 0.1496 0.8271 0.8362 0.0516 0.0166 0.0197 110 GLY a CA ? ? 1 +25753 C C A GLY U 100 0.1479 0.8228 0.8315 0.0461 0.0181 0.0212 110 GLY a C ? ? 1 +25754 C C B GLY U 100 0.1468 0.8212 0.8297 0.0458 0.0184 0.0213 110 GLY a C ? ? 1 +25755 O O A GLY U 100 0.1535 0.8246 0.8315 0.0465 0.0216 0.0211 110 GLY a O ? ? 1 +25756 O O B GLY U 100 0.1521 0.8229 0.8296 0.0458 0.0220 0.0212 110 GLY a O ? ? 1 +25757 N N A PRO U 101 0.1403 0.8158 0.8257 0.0410 0.0158 0.0227 111 PRO a N ? ? 1 +25758 N N B PRO U 101 0.1390 0.8147 0.8245 0.0408 0.0161 0.0227 111 PRO a N ? ? 1 +25759 C CA A PRO U 101 0.1388 0.8112 0.8205 0.0360 0.0174 0.0242 111 PRO a CA ? ? 1 +25760 C CA B PRO U 101 0.1375 0.8099 0.8191 0.0357 0.0175 0.0243 111 PRO a CA ? ? 1 +25761 C C A PRO U 101 0.1457 0.8070 0.8152 0.0360 0.0183 0.0244 111 PRO a C ? ? 1 +25762 C C B PRO U 101 0.1444 0.8054 0.8136 0.0357 0.0182 0.0245 111 PRO a C ? ? 1 +25763 O O A PRO U 101 0.1479 0.8080 0.8144 0.0341 0.0215 0.0249 111 PRO a O ? ? 1 +25764 O O B PRO U 101 0.1466 0.8062 0.8126 0.0336 0.0212 0.0250 111 PRO a O ? ? 1 +25765 C CB A PRO U 101 0.1319 0.8044 0.8158 0.0318 0.0134 0.0255 111 PRO a CB ? ? 1 +25766 C CB B PRO U 101 0.1305 0.8033 0.8147 0.0317 0.0134 0.0255 111 PRO a CB ? ? 1 +25767 C CG A PRO U 101 0.1273 0.8084 0.8209 0.0341 0.0114 0.0246 111 PRO a CG ? ? 1 +25768 C CG B PRO U 101 0.1260 0.8077 0.8201 0.0340 0.0116 0.0245 111 PRO a CG ? ? 1 +25769 C CD A PRO U 101 0.1337 0.8131 0.8250 0.0402 0.0116 0.0230 111 PRO a CD ? ? 1 +25770 C CD B PRO U 101 0.1323 0.8126 0.8243 0.0401 0.0121 0.0229 111 PRO a CD ? ? 1 +25771 N N A TYR U 102 0.1497 0.8024 0.8115 0.0382 0.0155 0.0239 112 TYR a N ? ? 1 +25772 N N B TYR U 102 0.1487 0.8013 0.8105 0.0380 0.0155 0.0240 112 TYR a N ? ? 1 +25773 C CA A TYR U 102 0.1571 0.7989 0.8072 0.0384 0.0160 0.0238 112 TYR a CA ? ? 1 +25774 C CA B TYR U 102 0.1560 0.7977 0.8060 0.0382 0.0158 0.0238 112 TYR a CA ? ? 1 +25775 C C A TYR U 102 0.1635 0.8052 0.8108 0.0410 0.0207 0.0228 112 TYR a C ? ? 1 +25776 C C B TYR U 102 0.1625 0.8040 0.8097 0.0408 0.0206 0.0229 112 TYR a C ? ? 1 +25777 O O A TYR U 102 0.1668 0.8039 0.8078 0.0389 0.0225 0.0233 112 TYR a O ? ? 1 +25778 O O B TYR U 102 0.1659 0.8026 0.8066 0.0386 0.0222 0.0234 112 TYR a O ? ? 1 +25779 C CB A TYR U 102 0.1623 0.7956 0.8056 0.0413 0.0129 0.0230 112 TYR a CB ? ? 1 +25780 C CB B TYR U 102 0.1612 0.7944 0.8045 0.0411 0.0128 0.0230 112 TYR a CB ? ? 1 +25781 C CG A TYR U 102 0.1703 0.7918 0.8014 0.0409 0.0128 0.0226 112 TYR a CG ? ? 1 +25782 C CG B TYR U 102 0.1693 0.7908 0.8004 0.0407 0.0127 0.0227 112 TYR a CG ? ? 1 +25783 C CD1 A TYR U 102 0.1690 0.7848 0.7952 0.0362 0.0105 0.0235 112 TYR a CD1 ? ? 1 +25784 C CD1 B TYR U 102 0.1683 0.7838 0.7943 0.0360 0.0103 0.0236 112 TYR a CD1 ? ? 1 +25785 C CD2 A TYR U 102 0.1795 0.7955 0.8042 0.0454 0.0148 0.0212 112 TYR a CD2 ? ? 1 +25786 C CD2 B TYR U 102 0.1785 0.7948 0.8033 0.0451 0.0149 0.0212 112 TYR a CD2 ? ? 1 +25787 C CE1 A TYR U 102 0.1766 0.7820 0.7921 0.0356 0.0101 0.0229 112 TYR a CE1 ? ? 1 +25788 C CE1 B TYR U 102 0.1758 0.7808 0.7911 0.0355 0.0098 0.0229 112 TYR a CE1 ? ? 1 +25789 C CE2 A TYR U 102 0.1876 0.7925 0.8009 0.0449 0.0144 0.0206 112 TYR a CE2 ? ? 1 +25790 C CE2 B TYR U 102 0.1866 0.7917 0.8000 0.0446 0.0146 0.0207 112 TYR a CE2 ? ? 1 +25791 C CZ A TYR U 102 0.1860 0.7856 0.7948 0.0399 0.0120 0.0215 112 TYR a CZ ? ? 1 +25792 C CZ B TYR U 102 0.1851 0.7847 0.7939 0.0397 0.0120 0.0215 112 TYR a CZ ? ? 1 +25793 O OH A TYR U 102 0.1938 0.7829 0.7918 0.0392 0.0114 0.0207 112 TYR a OH ? ? 1 +25794 O OH B TYR U 102 0.1930 0.7821 0.7910 0.0391 0.0114 0.0207 112 TYR a OH ? ? 1 +25795 N N A GLN U 103 0.1657 0.8125 0.8176 0.0459 0.0227 0.0215 113 GLN a N ? ? 1 +25796 N N B GLN U 103 0.1648 0.8114 0.8166 0.0456 0.0226 0.0215 113 GLN a N ? ? 1 +25797 C CA A GLN U 103 0.1718 0.8193 0.8219 0.0489 0.0276 0.0204 113 GLN a CA ? ? 1 +25798 C CA B GLN U 103 0.1711 0.8184 0.8210 0.0486 0.0275 0.0205 113 GLN a CA ? ? 1 +25799 C C A GLN U 103 0.1688 0.8220 0.8228 0.0453 0.0315 0.0213 113 GLN a C ? ? 1 +25800 C C B GLN U 103 0.1683 0.8214 0.8222 0.0451 0.0314 0.0214 113 GLN a C ? ? 1 +25801 O O A GLN U 103 0.1750 0.8235 0.8219 0.0450 0.0347 0.0214 113 GLN a O ? ? 1 +25802 O O B GLN U 103 0.1746 0.8232 0.8216 0.0449 0.0347 0.0214 113 GLN a O ? ? 1 +25803 C CB A GLN U 103 0.1734 0.8275 0.8300 0.0548 0.0290 0.0187 113 GLN a CB ? ? 1 +25804 C CB B GLN U 103 0.1723 0.8263 0.8288 0.0544 0.0289 0.0188 113 GLN a CB ? ? 1 +25805 C CG A GLN U 103 0.1805 0.8261 0.8296 0.0595 0.0265 0.0176 113 GLN a CG ? ? 1 +25806 C CG B GLN U 103 0.1793 0.8251 0.8286 0.0593 0.0265 0.0176 113 GLN a CG ? ? 1 +25807 C CD A GLN U 103 0.1850 0.8353 0.8380 0.0661 0.0289 0.0156 113 GLN a CD ? ? 1 +25808 C CD B GLN U 103 0.1831 0.8346 0.8371 0.0657 0.0291 0.0157 113 GLN a CD ? ? 1 +25809 O OE1 A GLN U 103 0.1836 0.8430 0.8438 0.0671 0.0331 0.0149 113 GLN a OE1 ? ? 1 +25810 O OE1 B GLN U 103 0.1813 0.8417 0.8424 0.0662 0.0334 0.0151 113 GLN a OE1 ? ? 1 +25811 N NE2 A GLN U 103 0.1908 0.8346 0.8385 0.0706 0.0264 0.0147 113 GLN a NE2 ? ? 1 +25812 N NE2 B GLN U 103 0.1887 0.8347 0.8385 0.0706 0.0268 0.0147 113 GLN a NE2 ? ? 1 +25813 N N . LEU U 104 0.1601 0.8227 0.8245 0.0424 0.0311 0.0221 114 LEU a N ? ? 1 +25814 C CA . LEU U 104 0.1581 0.8262 0.8267 0.0387 0.0348 0.0231 114 LEU a CA ? ? 1 +25815 C CB . LEU U 104 0.1484 0.8270 0.8294 0.0359 0.0337 0.0236 114 LEU a CB ? ? 1 +25816 C CG . LEU U 104 0.1464 0.8322 0.8337 0.0327 0.0385 0.0242 114 LEU a CG ? ? 1 +25817 C CD1 . LEU U 104 0.1396 0.8380 0.8409 0.0325 0.0390 0.0234 114 LEU a CD1 ? ? 1 +25818 C CD2 . LEU U 104 0.1439 0.8256 0.8274 0.0273 0.0376 0.0263 114 LEU a CD2 ? ? 1 +25819 C C . LEU U 104 0.1617 0.8211 0.8207 0.0347 0.0344 0.0247 114 LEU a C ? ? 1 +25820 O O . LEU U 104 0.1663 0.8236 0.8209 0.0340 0.0385 0.0250 114 LEU a O ? ? 1 +25821 N N . ILE U 105 0.1610 0.8150 0.8163 0.0324 0.0295 0.0255 115 ILE a N ? ? 1 +25822 C CA . ILE U 105 0.1640 0.8106 0.8112 0.0286 0.0283 0.0268 115 ILE a CA ? ? 1 +25823 C CB . ILE U 105 0.1588 0.8026 0.8057 0.0258 0.0229 0.0275 115 ILE a CB ? ? 1 +25824 C CG1 . ILE U 105 0.1491 0.8022 0.8071 0.0234 0.0219 0.0284 115 ILE a CG1 ? ? 1 +25825 C CG2 . ILE U 105 0.1615 0.7976 0.7998 0.0225 0.0214 0.0285 115 ILE a CG2 ? ? 1 +25826 C CD1 . ILE U 105 0.1441 0.7961 0.8035 0.0219 0.0172 0.0287 115 ILE a CD1 ? ? 1 +25827 C C . ILE U 105 0.1760 0.8130 0.8113 0.0305 0.0298 0.0261 115 ILE a C ? ? 1 +25828 O O . ILE U 105 0.1801 0.8145 0.8104 0.0289 0.0324 0.0268 115 ILE a O ? ? 1 +25829 N N A ILE U 106 0.1825 0.8142 0.8129 0.0342 0.0285 0.0246 116 ILE a N ? ? 1 +25830 N N B ILE U 106 0.1825 0.8140 0.8127 0.0341 0.0284 0.0246 116 ILE a N ? ? 1 +25831 C CA A ILE U 106 0.1937 0.8151 0.8119 0.0357 0.0292 0.0238 116 ILE a CA ? ? 1 +25832 C CA B ILE U 106 0.1940 0.8154 0.8121 0.0357 0.0292 0.0238 116 ILE a CA ? ? 1 +25833 C C A ILE U 106 0.2014 0.8237 0.8173 0.0383 0.0349 0.0232 116 ILE a C ? ? 1 +25834 C C B ILE U 106 0.2016 0.8240 0.8175 0.0382 0.0349 0.0232 116 ILE a C ? ? 1 +25835 O O A ILE U 106 0.2082 0.8239 0.8150 0.0375 0.0363 0.0233 116 ILE a O ? ? 1 +25836 O O B ILE U 106 0.2086 0.8243 0.8154 0.0374 0.0364 0.0233 116 ILE a O ? ? 1 +25837 C CB A ILE U 106 0.1989 0.8130 0.8114 0.0386 0.0261 0.0225 116 ILE a CB ? ? 1 +25838 C CB B ILE U 106 0.1994 0.8133 0.8117 0.0387 0.0262 0.0224 116 ILE a CB ? ? 1 +25839 C CG1 A ILE U 106 0.2002 0.8187 0.8179 0.0437 0.0275 0.0212 116 ILE a CG1 ? ? 1 +25840 C CG1 B ILE U 106 0.2012 0.8193 0.8184 0.0438 0.0277 0.0211 116 ILE a CG1 ? ? 1 +25841 C CG2 A ILE U 106 0.1936 0.8049 0.8062 0.0353 0.0208 0.0232 116 ILE a CG2 ? ? 1 +25842 C CG2 B ILE U 106 0.1943 0.8054 0.8067 0.0355 0.0208 0.0231 116 ILE a CG2 ? ? 1 +25843 C CD1 A ILE U 106 0.2084 0.8177 0.8180 0.0472 0.0258 0.0197 116 ILE a CD1 ? ? 1 +25844 C CD1 B ILE U 106 0.2089 0.8180 0.8183 0.0473 0.0257 0.0197 116 ILE a CD1 ? ? 1 +25845 N N A PHE U 107 0.2011 0.8318 0.8253 0.0414 0.0382 0.0224 117 PHE a N ? ? 1 +25846 N N B PHE U 107 0.2013 0.8320 0.8255 0.0413 0.0382 0.0225 117 PHE a N ? ? 1 +25847 C CA A PHE U 107 0.2084 0.8407 0.8312 0.0438 0.0442 0.0217 117 PHE a CA ? ? 1 +25848 C CA B PHE U 107 0.2086 0.8410 0.8315 0.0439 0.0442 0.0217 117 PHE a CA ? ? 1 +25849 C C A PHE U 107 0.2082 0.8423 0.8308 0.0399 0.0474 0.0233 117 PHE a C ? ? 1 +25850 C C B PHE U 107 0.2084 0.8430 0.8315 0.0401 0.0477 0.0232 117 PHE a C ? ? 1 +25851 O O A PHE U 107 0.2171 0.8454 0.8309 0.0404 0.0507 0.0233 117 PHE a O ? ? 1 +25852 O O B PHE U 107 0.2173 0.8471 0.8326 0.0408 0.0515 0.0231 117 PHE a O ? ? 1 +25853 C CB A PHE U 107 0.2065 0.8488 0.8399 0.0477 0.0469 0.0205 117 PHE a CB ? ? 1 +25854 C CB B PHE U 107 0.2068 0.8490 0.8401 0.0478 0.0468 0.0204 117 PHE a CB ? ? 1 +25855 C CG A PHE U 107 0.2102 0.8497 0.8422 0.0527 0.0445 0.0188 117 PHE a CG ? ? 1 +25856 C CG B PHE U 107 0.2104 0.8498 0.8425 0.0526 0.0442 0.0188 117 PHE a CG ? ? 1 +25857 C CD1 A PHE U 107 0.2173 0.8448 0.8375 0.0537 0.0415 0.0183 117 PHE a CD1 ? ? 1 +25858 C CD1 B PHE U 107 0.2176 0.8451 0.8381 0.0538 0.0413 0.0183 117 PHE a CD1 ? ? 1 +25859 C CD2 A PHE U 107 0.2074 0.8559 0.8495 0.0563 0.0450 0.0176 117 PHE a CD2 ? ? 1 +25860 C CD2 B PHE U 107 0.2073 0.8560 0.8498 0.0561 0.0445 0.0177 117 PHE a CD2 ? ? 1 +25861 C CE1 A PHE U 107 0.2214 0.8453 0.8396 0.0583 0.0395 0.0169 117 PHE a CE1 ? ? 1 +25862 C CE1 B PHE U 107 0.2215 0.8456 0.8402 0.0582 0.0390 0.0169 117 PHE a CE1 ? ? 1 +25863 C CE2 A PHE U 107 0.2114 0.8565 0.8514 0.0613 0.0426 0.0162 117 PHE a CE2 ? ? 1 +25864 C CE2 B PHE U 107 0.2111 0.8566 0.8518 0.0610 0.0420 0.0163 117 PHE a CE2 ? ? 1 +25865 C CZ A PHE U 107 0.2186 0.8510 0.8463 0.0622 0.0400 0.0159 117 PHE a CZ ? ? 1 +25866 C CZ B PHE U 107 0.2185 0.8512 0.8469 0.0620 0.0394 0.0160 117 PHE a CZ ? ? 1 +25867 N N . HIS U 108 0.1994 0.8408 0.8311 0.0362 0.0465 0.0247 118 HIS a N ? ? 1 +25868 C CA . HIS U 108 0.1993 0.8417 0.8305 0.0321 0.0491 0.0264 118 HIS a CA ? ? 1 +25869 C CB . HIS U 108 0.1874 0.8388 0.8302 0.0286 0.0478 0.0275 118 HIS a CB ? ? 1 +25870 C CG . HIS U 108 0.1829 0.8458 0.8382 0.0300 0.0512 0.0266 118 HIS a CG ? ? 1 +25871 N ND1 . HIS U 108 0.1833 0.8519 0.8432 0.0284 0.0569 0.0270 118 HIS a ND1 ? ? 1 +25872 C CE1 . HIS U 108 0.1780 0.8569 0.8495 0.0301 0.0584 0.0257 118 HIS a CE1 ? ? 1 +25873 N NE2 . HIS U 108 0.1755 0.8553 0.8494 0.0332 0.0540 0.0245 118 HIS a NE2 ? ? 1 +25874 C CD2 . HIS U 108 0.1785 0.8478 0.8419 0.0331 0.0496 0.0251 118 HIS a CD2 ? ? 1 +25875 C C . HIS U 108 0.2060 0.8376 0.8250 0.0298 0.0466 0.0274 118 HIS a C ? ? 1 +25876 O O . HIS U 108 0.2130 0.8404 0.8249 0.0291 0.0498 0.0280 118 HIS a O ? ? 1 +25877 N N . PHE U 109 0.2055 0.8326 0.8219 0.0288 0.0407 0.0273 119 PHE a N ? ? 1 +25878 C CA . PHE U 109 0.2123 0.8299 0.8181 0.0267 0.0376 0.0279 119 PHE a CA ? ? 1 +25879 C CB . PHE U 109 0.2095 0.8242 0.8152 0.0256 0.0314 0.0276 119 PHE a CB ? ? 1 +25880 C CG . PHE U 109 0.2161 0.8212 0.8110 0.0240 0.0281 0.0275 119 PHE a CG ? ? 1 +25881 C CD1 . PHE U 109 0.2154 0.8195 0.8084 0.0204 0.0268 0.0290 119 PHE a CD1 ? ? 1 +25882 C CD2 . PHE U 109 0.2248 0.8217 0.8112 0.0261 0.0264 0.0258 119 PHE a CD2 ? ? 1 +25883 C CE1 . PHE U 109 0.2207 0.8167 0.8043 0.0190 0.0234 0.0287 119 PHE a CE1 ? ? 1 +25884 C CE2 . PHE U 109 0.2301 0.8186 0.8071 0.0243 0.0231 0.0255 119 PHE a CE2 ? ? 1 +25885 C CZ . PHE U 109 0.2276 0.8161 0.8035 0.0209 0.0216 0.0269 119 PHE a CZ ? ? 1 +25886 C C . PHE U 109 0.2249 0.8334 0.8183 0.0294 0.0395 0.0268 119 PHE a C ? ? 1 +25887 O O . PHE U 109 0.2307 0.8338 0.8160 0.0278 0.0402 0.0275 119 PHE a O ? ? 1 +25888 N N A LEU U 110 0.2297 0.8361 0.8212 0.0335 0.0402 0.0249 120 LEU a N ? ? 1 +25889 N N B LEU U 110 0.2303 0.8369 0.8219 0.0335 0.0403 0.0250 120 LEU a N ? ? 1 +25890 C CA A LEU U 110 0.2416 0.8389 0.8211 0.0362 0.0418 0.0236 120 LEU a CA ? ? 1 +25891 C CA B LEU U 110 0.2425 0.8400 0.8222 0.0363 0.0418 0.0236 120 LEU a CA ? ? 1 +25892 C C A LEU U 110 0.2481 0.8463 0.8248 0.0371 0.0481 0.0240 120 LEU a C ? ? 1 +25893 C C B LEU U 110 0.2489 0.8470 0.8255 0.0372 0.0481 0.0240 120 LEU a C ? ? 1 +25894 O O A LEU U 110 0.2579 0.8479 0.8232 0.0373 0.0490 0.0239 120 LEU a O ? ? 1 +25895 O O B LEU U 110 0.2587 0.8486 0.8240 0.0373 0.0489 0.0239 120 LEU a O ? ? 1 +25896 C CB A LEU U 110 0.2454 0.8407 0.8242 0.0407 0.0416 0.0216 120 LEU a CB ? ? 1 +25897 C CB B LEU U 110 0.2468 0.8425 0.8260 0.0409 0.0416 0.0216 120 LEU a CB ? ? 1 +25898 C CG A LEU U 110 0.2433 0.8339 0.8206 0.0401 0.0356 0.0210 120 LEU a CG ? ? 1 +25899 C CG B LEU U 110 0.2454 0.8359 0.8225 0.0404 0.0357 0.0209 120 LEU a CG ? ? 1 +25900 C CD1 A LEU U 110 0.2476 0.8361 0.8241 0.0448 0.0357 0.0192 120 LEU a CD1 ? ? 1 +25901 C CD1 B LEU U 110 0.2495 0.8381 0.8261 0.0451 0.0359 0.0191 120 LEU a CD1 ? ? 1 +25902 C CD2 A LEU U 110 0.2491 0.8294 0.8151 0.0377 0.0322 0.0208 120 LEU a CD2 ? ? 1 +25903 C CD2 B LEU U 110 0.2520 0.8319 0.8174 0.0382 0.0325 0.0206 120 LEU a CD2 ? ? 1 +25904 N N . LEU U 111 0.2436 0.8516 0.8305 0.0377 0.0524 0.0244 121 LEU a N ? ? 1 +25905 C CA . LEU U 111 0.2480 0.8579 0.8338 0.0377 0.0589 0.0251 121 LEU a CA ? ? 1 +25906 C CB . LEU U 111 0.2426 0.8649 0.8422 0.0381 0.0631 0.0251 121 LEU a CB ? ? 1 +25907 C CG . LEU U 111 0.2500 0.8749 0.8507 0.0427 0.0681 0.0233 121 LEU a CG ? ? 1 +25908 C CD1 . LEU U 111 0.2441 0.8825 0.8601 0.0429 0.0716 0.0231 121 LEU a CD1 ? ? 1 +25909 C CD2 . LEU U 111 0.2622 0.8803 0.8519 0.0435 0.0734 0.0235 121 LEU a CD2 ? ? 1 +25910 C C . LEU U 111 0.2461 0.8525 0.8269 0.0335 0.0585 0.0271 121 LEU a C ? ? 1 +25911 O O . LEU U 111 0.2557 0.8556 0.8263 0.0338 0.0616 0.0274 121 LEU a O ? ? 1 +25912 N N . GLY U 112 0.2338 0.8447 0.8218 0.0298 0.0550 0.0285 122 GLY a N ? ? 1 +25913 C CA . GLY U 112 0.2330 0.8411 0.8172 0.0259 0.0543 0.0305 122 GLY a CA ? ? 1 +25914 C C . GLY U 112 0.2394 0.8362 0.8098 0.0256 0.0506 0.0305 122 GLY a C ? ? 1 +25915 O O . GLY U 112 0.2449 0.8368 0.8076 0.0244 0.0522 0.0317 122 GLY a O ? ? 1 +25916 N N . ALA U 113 0.2379 0.8304 0.8051 0.0268 0.0458 0.0290 123 ALA a N ? ? 1 +25917 C CA . ALA U 113 0.2435 0.8259 0.7987 0.0264 0.0417 0.0285 123 ALA a CA ? ? 1 +25918 C CB . ALA U 113 0.2395 0.8200 0.7959 0.0262 0.0358 0.0272 123 ALA a CB ? ? 1 +25919 C C . ALA U 113 0.2556 0.8300 0.7986 0.0295 0.0451 0.0274 123 ALA a C ? ? 1 +25920 O O . ALA U 113 0.2628 0.8292 0.7948 0.0288 0.0437 0.0275 123 ALA a O ? ? 1 +25921 N N . SER U 114 0.2571 0.8335 0.8019 0.0330 0.0494 0.0261 124 SER a N ? ? 1 +25922 C CA . SER U 114 0.2693 0.8389 0.8033 0.0362 0.0537 0.0251 124 SER a CA ? ? 1 +25923 C CB . SER U 114 0.2709 0.8440 0.8090 0.0404 0.0576 0.0234 124 SER a CB ? ? 1 +25924 O OG . SER U 114 0.2679 0.8397 0.8078 0.0417 0.0529 0.0218 124 SER a OG ? ? 1 +25925 C C . SER U 114 0.2735 0.8425 0.8034 0.0351 0.0586 0.0268 124 SER a C ? ? 1 +25926 O O . SER U 114 0.2845 0.8446 0.8014 0.0360 0.0597 0.0266 124 SER a O ? ? 1 +25927 N N . CYS U 115 0.2650 0.8430 0.8055 0.0329 0.0615 0.0285 125 CYS a N ? ? 1 +25928 C CA . CYS U 115 0.2693 0.8467 0.8065 0.0312 0.0662 0.0305 125 CYS a CA ? ? 1 +25929 C CB . CYS U 115 0.2621 0.8509 0.8132 0.0296 0.0707 0.0315 125 CYS a CB ? ? 1 +25930 S SG . CYS U 115 0.2653 0.8614 0.8240 0.0337 0.0769 0.0295 125 CYS a SG ? ? 1 +25931 C C . CYS U 115 0.2695 0.8407 0.7993 0.0282 0.0619 0.0321 125 CYS a C ? ? 1 +25932 O O . CYS U 115 0.2780 0.8434 0.7984 0.0278 0.0647 0.0333 125 CYS a O ? ? 1 +25933 N N A TYR U 116 0.2603 0.8327 0.7943 0.0261 0.0551 0.0320 126 TYR a N ? ? 1 +25934 N N B TYR U 116 0.2605 0.8329 0.7944 0.0261 0.0551 0.0320 126 TYR a N ? ? 1 +25935 C CA A TYR U 116 0.2609 0.8276 0.7881 0.0238 0.0501 0.0330 126 TYR a CA ? ? 1 +25936 C CA B TYR U 116 0.2607 0.8275 0.7880 0.0238 0.0501 0.0331 126 TYR a CA ? ? 1 +25937 C C A TYR U 116 0.2737 0.8290 0.7851 0.0259 0.0489 0.0319 126 TYR a C ? ? 1 +25938 C C B TYR U 116 0.2737 0.8291 0.7851 0.0259 0.0489 0.0319 126 TYR a C ? ? 1 +25939 O O A TYR U 116 0.2809 0.8303 0.7831 0.0251 0.0487 0.0331 126 TYR a O ? ? 1 +25940 O O B TYR U 116 0.2810 0.8305 0.7832 0.0252 0.0489 0.0331 126 TYR a O ? ? 1 +25941 C CB A TYR U 116 0.2497 0.8199 0.7844 0.0218 0.0432 0.0326 126 TYR a CB ? ? 1 +25942 C CB B TYR U 116 0.2497 0.8199 0.7844 0.0218 0.0433 0.0327 126 TYR a CB ? ? 1 +25943 C CG A TYR U 116 0.2488 0.8156 0.7798 0.0191 0.0381 0.0338 126 TYR a CG ? ? 1 +25944 C CG B TYR U 116 0.2486 0.8156 0.7798 0.0190 0.0382 0.0338 126 TYR a CG ? ? 1 +25945 C CD1 A TYR U 116 0.2556 0.8140 0.7759 0.0196 0.0334 0.0325 126 TYR a CD1 ? ? 1 +25946 C CD1 B TYR U 116 0.2539 0.8133 0.7759 0.0193 0.0328 0.0325 126 TYR a CD1 ? ? 1 +25947 C CD2 A TYR U 116 0.2412 0.8133 0.7794 0.0161 0.0379 0.0359 126 TYR a CD2 ? ? 1 +25948 C CD2 B TYR U 116 0.2421 0.8139 0.7797 0.0162 0.0385 0.0360 126 TYR a CD2 ? ? 1 +25949 C CE1 A TYR U 116 0.2545 0.8104 0.7719 0.0174 0.0284 0.0334 126 TYR a CE1 ? ? 1 +25950 C CE1 B TYR U 116 0.2523 0.8095 0.7718 0.0170 0.0279 0.0333 126 TYR a CE1 ? ? 1 +25951 C CE2 A TYR U 116 0.2405 0.8096 0.7754 0.0140 0.0331 0.0368 126 TYR a CE2 ? ? 1 +25952 C CE2 B TYR U 116 0.2411 0.8101 0.7756 0.0140 0.0337 0.0370 126 TYR a CE2 ? ? 1 +25953 C CZ A TYR U 116 0.2470 0.8083 0.7717 0.0148 0.0284 0.0355 126 TYR a CZ ? ? 1 +25954 C CZ B TYR U 116 0.2460 0.8080 0.7717 0.0146 0.0284 0.0356 126 TYR a CZ ? ? 1 +25955 O OH A TYR U 116 0.2460 0.8052 0.7681 0.0129 0.0235 0.0363 126 TYR a OH ? ? 1 +25956 O OH B TYR U 116 0.2447 0.8048 0.7682 0.0127 0.0236 0.0364 126 TYR a OH ? ? 1 +25957 N N . MET U 117 0.2774 0.8294 0.7852 0.0286 0.0481 0.0295 127 MET a N ? ? 1 +25958 C CA . MET U 117 0.2903 0.8313 0.7830 0.0309 0.0472 0.0280 127 MET a CA ? ? 1 +25959 C CB . MET U 117 0.2922 0.8308 0.7836 0.0336 0.0458 0.0253 127 MET a CB ? ? 1 +25960 C CG . MET U 117 0.3063 0.8330 0.7818 0.0358 0.0445 0.0233 127 MET a CG ? ? 1 +25961 S SD . MET U 117 0.3086 0.8311 0.7822 0.0383 0.0417 0.0201 127 MET a SD ? ? 1 +25962 C CE . MET U 117 0.3096 0.8381 0.7895 0.0425 0.0504 0.0198 127 MET a CE ? ? 1 +25963 C C . MET U 117 0.3018 0.8386 0.7855 0.0328 0.0540 0.0288 127 MET a C ? ? 1 +25964 O O . MET U 117 0.3120 0.8400 0.7827 0.0332 0.0531 0.0290 127 MET a O ? ? 1 +25965 N N . GLY U 118 0.3003 0.8433 0.7909 0.0341 0.0608 0.0291 128 GLY a N ? ? 1 +25966 C CA . GLY U 118 0.3105 0.8505 0.7940 0.0355 0.0682 0.0300 128 GLY a CA ? ? 1 +25967 C C . GLY U 118 0.3123 0.8505 0.7923 0.0327 0.0691 0.0327 128 GLY a C ? ? 1 +25968 O O . GLY U 118 0.3243 0.8540 0.7912 0.0337 0.0717 0.0333 128 GLY a O ? ? 1 +25969 N N . ARG U 119 0.3007 0.8462 0.7919 0.0293 0.0667 0.0343 129 ARG a N ? ? 1 +25970 C CA . ARG U 119 0.3022 0.8463 0.7912 0.0265 0.0668 0.0369 129 ARG a CA ? ? 1 +25971 C CB . ARG U 119 0.2867 0.8408 0.7909 0.0231 0.0644 0.0381 129 ARG a CB ? ? 1 +25972 C CG . ARG U 119 0.2859 0.8390 0.7893 0.0200 0.0640 0.0408 129 ARG a CG ? ? 1 +25973 C CD . ARG U 119 0.2722 0.8362 0.7916 0.0170 0.0643 0.0418 129 ARG a CD ? ? 1 +25974 N NE . ARG U 119 0.2706 0.8335 0.7899 0.0140 0.0623 0.0441 129 ARG a NE ? ? 1 +25975 C CZ . ARG U 119 0.2647 0.8270 0.7848 0.0126 0.0552 0.0443 129 ARG a CZ ? ? 1 +25976 N NH1 . ARG U 119 0.2601 0.8226 0.7813 0.0136 0.0492 0.0424 129 ARG a NH1 ? ? 1 +25977 N NH2 . ARG U 119 0.2636 0.8250 0.7835 0.0103 0.0541 0.0465 129 ARG a NH2 ? ? 1 +25978 C C . ARG U 119 0.3114 0.8451 0.7866 0.0265 0.0614 0.0371 129 ARG a C ? ? 1 +25979 O O . ARG U 119 0.3192 0.8477 0.7863 0.0259 0.0634 0.0391 129 ARG a O ? ? 1 +25980 N N A GLN U 120 0.3107 0.8415 0.7833 0.0273 0.0546 0.0351 130 GLN a N ? ? 1 +25981 N N B GLN U 120 0.3106 0.8414 0.7833 0.0272 0.0545 0.0351 130 GLN a N ? ? 1 +25982 C CA A GLN U 120 0.3191 0.8406 0.7791 0.0275 0.0488 0.0347 130 GLN a CA ? ? 1 +25983 C CA B GLN U 120 0.3193 0.8408 0.7792 0.0275 0.0489 0.0347 130 GLN a CA ? ? 1 +25984 C C A GLN U 120 0.3369 0.8479 0.7804 0.0305 0.0523 0.0342 130 GLN a C ? ? 1 +25985 C C B GLN U 120 0.3371 0.8481 0.7806 0.0305 0.0523 0.0342 130 GLN a C ? ? 1 +25986 O O A GLN U 120 0.3462 0.8497 0.7784 0.0306 0.0509 0.0352 130 GLN a O ? ? 1 +25987 O O B GLN U 120 0.3465 0.8500 0.7786 0.0306 0.0508 0.0352 130 GLN a O ? ? 1 +25988 C CB A GLN U 120 0.3142 0.8355 0.7760 0.0274 0.0413 0.0322 130 GLN a CB ? ? 1 +25989 C CB B GLN U 120 0.3143 0.8356 0.7761 0.0273 0.0413 0.0323 130 GLN a CB ? ? 1 +25990 C CG A GLN U 120 0.2993 0.8286 0.7740 0.0242 0.0364 0.0329 130 GLN a CG ? ? 1 +25991 C CG B GLN U 120 0.2994 0.8289 0.7745 0.0242 0.0368 0.0330 130 GLN a CG ? ? 1 +25992 C CD A GLN U 120 0.2961 0.8242 0.7715 0.0238 0.0294 0.0305 130 GLN a CD ? ? 1 +25993 C CD B GLN U 120 0.2956 0.8246 0.7723 0.0239 0.0302 0.0306 130 GLN a CD ? ? 1 +25994 O OE1 A GLN U 120 0.3016 0.8257 0.7724 0.0258 0.0290 0.0282 130 GLN a OE1 ? ? 1 +25995 O OE1 B GLN U 120 0.2998 0.8264 0.7741 0.0259 0.0307 0.0284 130 GLN a OE1 ? ? 1 +25996 N NE2 A GLN U 120 0.2877 0.8190 0.7687 0.0211 0.0237 0.0309 130 GLN a NE2 ? ? 1 +25997 N NE2 B GLN U 120 0.2888 0.8197 0.7693 0.0214 0.0240 0.0308 130 GLN a NE2 ? ? 1 +25998 N N . TRP U 121 0.3426 0.8529 0.7846 0.0332 0.0567 0.0325 131 TRP a N ? ? 1 +25999 C CA . TRP U 121 0.3599 0.8610 0.7870 0.0362 0.0613 0.0321 131 TRP a CA ? ? 1 +26000 C CB . TRP U 121 0.3643 0.8654 0.7912 0.0394 0.0659 0.0299 131 TRP a CB ? ? 1 +26001 C CG . TRP U 121 0.3806 0.8741 0.7944 0.0418 0.0728 0.0304 131 TRP a CG ? ? 1 +26002 C CD1 . TRP U 121 0.3962 0.8776 0.7922 0.0440 0.0716 0.0296 131 TRP a CD1 ? ? 1 +26003 N NE1 . TRP U 121 0.4082 0.8851 0.7956 0.0457 0.0796 0.0307 131 TRP a NE1 ? ? 1 +26004 C CE2 . TRP U 121 0.4005 0.8871 0.8008 0.0443 0.0863 0.0323 131 TRP a CE2 ? ? 1 +26005 C CZ2 . TRP U 121 0.4075 0.8947 0.8062 0.0448 0.0958 0.0338 131 TRP a CZ2 ? ? 1 +26006 C CH2 . TRP U 121 0.3964 0.8953 0.8112 0.0427 0.1006 0.0350 131 TRP a CH2 ? ? 1 +26007 C CZ3 . TRP U 121 0.3792 0.8889 0.8106 0.0405 0.0961 0.0347 131 TRP a CZ3 ? ? 1 +26008 C CE3 . TRP U 121 0.3724 0.8811 0.8048 0.0401 0.0869 0.0334 131 TRP a CE3 ? ? 1 +26009 C CD2 . TRP U 121 0.3830 0.8803 0.8000 0.0419 0.0819 0.0322 131 TRP a CD2 ? ? 1 +26010 C C . TRP U 121 0.3666 0.8671 0.7910 0.0354 0.0681 0.0350 131 TRP a C ? ? 1 +26011 O O . TRP U 121 0.3802 0.8711 0.7901 0.0364 0.0690 0.0358 131 TRP a O ? ? 1 +26012 N N . GLU U 122 0.3583 0.8687 0.7965 0.0334 0.0728 0.0365 132 GLU a N ? ? 1 +26013 C CA . GLU U 122 0.3651 0.8755 0.8018 0.0326 0.0806 0.0389 132 GLU a CA ? ? 1 +26014 C CB . GLU U 122 0.3528 0.8761 0.8074 0.0304 0.0851 0.0397 132 GLU a CB ? ? 1 +26015 C CG . GLU U 122 0.3593 0.8834 0.8135 0.0295 0.0945 0.0417 132 GLU a CG ? ? 1 +26016 C CD . GLU U 122 0.3471 0.8845 0.8197 0.0271 0.0987 0.0421 132 GLU a CD ? ? 1 +26017 O OE1 . GLU U 122 0.3345 0.8803 0.8193 0.0273 0.0953 0.0404 132 GLU a OE1 ? ? 1 +26018 O OE2 . GLU U 122 0.3503 0.8893 0.8247 0.0250 0.1051 0.0441 132 GLU a OE2 ? ? 1 +26019 C C . GLU U 122 0.3705 0.8747 0.7990 0.0307 0.0784 0.0415 132 GLU a C ? ? 1 +26020 O O . GLU U 122 0.3837 0.8797 0.7997 0.0317 0.0829 0.0428 132 GLU a O ? ? 1 +26021 N N . LEU U 123 0.3616 0.8694 0.7968 0.0283 0.0715 0.0421 133 LEU a N ? ? 1 +26022 C CA . LEU U 123 0.3672 0.8694 0.7953 0.0269 0.0689 0.0444 133 LEU a CA ? ? 1 +26023 C CB . LEU U 123 0.3532 0.8619 0.7924 0.0241 0.0619 0.0448 133 LEU a CB ? ? 1 +26024 C CG . LEU U 123 0.3570 0.8606 0.7899 0.0227 0.0589 0.0472 133 LEU a CG ? ? 1 +26025 C CD1 . LEU U 123 0.3626 0.8651 0.7941 0.0214 0.0667 0.0501 133 LEU a CD1 ? ? 1 +26026 C CD2 . LEU U 123 0.3427 0.8533 0.7871 0.0203 0.0521 0.0473 133 LEU a CD2 ? ? 1 +26027 C C . LEU U 123 0.3832 0.8726 0.7925 0.0296 0.0652 0.0437 133 LEU a C ? ? 1 +26028 O O . LEU U 123 0.3947 0.8763 0.7927 0.0298 0.0666 0.0457 133 LEU a O ? ? 1 +26029 N N A SER U 124 0.3851 0.8721 0.7908 0.0316 0.0605 0.0407 134 SER a N ? ? 1 +26030 N N B SER U 124 0.3849 0.8720 0.7907 0.0316 0.0606 0.0407 134 SER a N ? ? 1 +26031 C CA A SER U 124 0.3999 0.8751 0.7881 0.0341 0.0564 0.0395 134 SER a CA ? ? 1 +26032 C CA B SER U 124 0.3994 0.8748 0.7879 0.0341 0.0564 0.0395 134 SER a CA ? ? 1 +26033 C C A SER U 124 0.4179 0.8841 0.7916 0.0366 0.0639 0.0404 134 SER a C ? ? 1 +26034 C C B SER U 124 0.4178 0.8839 0.7914 0.0367 0.0637 0.0403 134 SER a C ? ? 1 +26035 O O A SER U 124 0.4312 0.8871 0.7895 0.0381 0.0624 0.0412 134 SER a O ? ? 1 +26036 O O B SER U 124 0.4315 0.8870 0.7893 0.0384 0.0618 0.0407 134 SER a O ? ? 1 +26037 C CB A SER U 124 0.3979 0.8726 0.7859 0.0356 0.0509 0.0360 134 SER a CB ? ? 1 +26038 C CB B SER U 124 0.3969 0.8721 0.7857 0.0355 0.0508 0.0359 134 SER a CB ? ? 1 +26039 O OG A SER U 124 0.4023 0.8764 0.7890 0.0378 0.0563 0.0343 134 SER a OG ? ? 1 +26040 O OG B SER U 124 0.4031 0.8764 0.7885 0.0380 0.0562 0.0343 134 SER a OG ? ? 1 +26041 N N . TYR U 125 0.4185 0.8888 0.7973 0.0371 0.0720 0.0403 135 TYR a N ? ? 1 +26042 C CA . TYR U 125 0.4348 0.8977 0.8014 0.0392 0.0802 0.0412 135 TYR a CA ? ? 1 +26043 C CB . TYR U 125 0.4316 0.9012 0.8068 0.0401 0.0877 0.0401 135 TYR a CB ? ? 1 +26044 C CG . TYR U 125 0.4480 0.9098 0.8102 0.0428 0.0962 0.0402 135 TYR a CG ? ? 1 +26045 C CD1 . TYR U 125 0.4633 0.9133 0.8079 0.0463 0.0944 0.0385 135 TYR a CD1 ? ? 1 +26046 C CD2 . TYR U 125 0.4488 0.9152 0.8165 0.0418 0.1060 0.0419 135 TYR a CD2 ? ? 1 +26047 C CE1 . TYR U 125 0.4794 0.9218 0.8116 0.0489 0.1024 0.0386 135 TYR a CE1 ? ? 1 +26048 C CE2 . TYR U 125 0.4645 0.9240 0.8206 0.0443 0.1142 0.0419 135 TYR a CE2 ? ? 1 +26049 C CZ . TYR U 125 0.4800 0.9273 0.8180 0.0479 0.1125 0.0403 135 TYR a CZ ? ? 1 +26050 O OH . TYR U 125 0.4964 0.9365 0.8224 0.0504 0.1210 0.0404 135 TYR a OH ? ? 1 +26051 C C . TYR U 125 0.4419 0.9020 0.8048 0.0374 0.0844 0.0448 135 TYR a C ? ? 1 +26052 O O . TYR U 125 0.4585 0.9074 0.8048 0.0391 0.0868 0.0460 135 TYR a O ? ? 1 +26053 N N . ARG U 126 0.4311 0.9007 0.8089 0.0339 0.0850 0.0466 136 ARG a N ? ? 1 +26054 C CA . ARG U 126 0.4376 0.9049 0.8131 0.0317 0.0890 0.0500 136 ARG a CA ? ? 1 +26055 C CB . ARG U 126 0.4222 0.9020 0.8170 0.0277 0.0902 0.0514 136 ARG a CB ? ? 1 +26056 C CG . ARG U 126 0.4117 0.9035 0.8226 0.0270 0.0947 0.0498 136 ARG a CG ? ? 1 +26057 C CD . ARG U 126 0.4223 0.9129 0.8297 0.0282 0.1049 0.0498 136 ARG a CD ? ? 1 +26058 N NE . ARG U 126 0.4118 0.9154 0.8367 0.0273 0.1087 0.0484 136 ARG a NE ? ? 1 +26059 C CZ . ARG U 126 0.4187 0.9244 0.8443 0.0296 0.1148 0.0467 136 ARG a CZ ? ? 1 +26060 N NH1 . ARG U 126 0.4356 0.9310 0.8453 0.0328 0.1186 0.0462 136 ARG a NH1 ? ? 1 +26061 N NH2 . ARG U 126 0.4081 0.9264 0.8507 0.0289 0.1174 0.0454 136 ARG a NH2 ? ? 1 +26062 C C . ARG U 126 0.4465 0.9041 0.8092 0.0322 0.0825 0.0514 136 ARG a C ? ? 1 +26063 O O . ARG U 126 0.4582 0.9082 0.8107 0.0320 0.0864 0.0541 136 ARG a O ? ? 1 +26064 N N A LEU U 127 0.4414 0.8993 0.8046 0.0328 0.0727 0.0496 137 LEU a N ? ? 1 +26065 N N B LEU U 127 0.4410 0.8993 0.8047 0.0327 0.0727 0.0496 137 LEU a N ? ? 1 +26066 C CA A LEU U 127 0.4479 0.8982 0.8007 0.0335 0.0656 0.0504 137 LEU a CA ? ? 1 +26067 C CA B LEU U 127 0.4473 0.8981 0.8010 0.0333 0.0655 0.0505 137 LEU a CA ? ? 1 +26068 C C A LEU U 127 0.4651 0.9028 0.7982 0.0373 0.0626 0.0490 137 LEU a C ? ? 1 +26069 C C B LEU U 127 0.4641 0.9025 0.7984 0.0372 0.0621 0.0489 137 LEU a C ? ? 1 +26070 O O A LEU U 127 0.4735 0.9041 0.7965 0.0384 0.0566 0.0495 137 LEU a O ? ? 1 +26071 O O B LEU U 127 0.4709 0.9035 0.7968 0.0381 0.0549 0.0490 137 LEU a O ? ? 1 +26072 C CB A LEU U 127 0.4325 0.8907 0.7976 0.0318 0.0564 0.0492 137 LEU a CB ? ? 1 +26073 C CB B LEU U 127 0.4314 0.8905 0.7978 0.0315 0.0563 0.0492 137 LEU a CB ? ? 1 +26074 C CG A LEU U 127 0.4158 0.8857 0.7993 0.0280 0.0576 0.0506 137 LEU a CG ? ? 1 +26075 C CG B LEU U 127 0.4147 0.8853 0.7994 0.0277 0.0574 0.0508 137 LEU a CG ? ? 1 +26076 C CD1 A LEU U 127 0.4037 0.8788 0.7956 0.0267 0.0482 0.0497 137 LEU a CD1 ? ? 1 +26077 C CD1 B LEU U 127 0.4020 0.8784 0.7958 0.0265 0.0481 0.0496 137 LEU a CD1 ? ? 1 +26078 C CD2 A LEU U 127 0.4209 0.8882 0.8022 0.0264 0.0634 0.0542 137 LEU a CD2 ? ? 1 +26079 C CD2 B LEU U 127 0.4201 0.8874 0.8018 0.0262 0.0622 0.0544 137 LEU a CD2 ? ? 1 +26080 N N A GLY U 128 0.4716 0.9064 0.7991 0.0396 0.0664 0.0470 138 GLY a N ? ? 1 +26081 N N B GLY U 128 0.4719 0.9066 0.7994 0.0394 0.0668 0.0472 138 GLY a N ? ? 1 +26082 C CA A GLY U 128 0.4881 0.9105 0.7964 0.0433 0.0639 0.0454 138 GLY a CA ? ? 1 +26083 C CA B GLY U 128 0.4878 0.9104 0.7964 0.0431 0.0640 0.0455 138 GLY a CA ? ? 1 +26084 C C A GLY U 128 0.4830 0.9059 0.7917 0.0441 0.0536 0.0420 138 GLY a C ? ? 1 +26085 C C B GLY U 128 0.4824 0.9056 0.7916 0.0439 0.0536 0.0422 138 GLY a C ? ? 1 +26086 O O A GLY U 128 0.4953 0.9087 0.7893 0.0464 0.0481 0.0409 138 GLY a O ? ? 1 +26087 O O B GLY U 128 0.4948 0.9084 0.7893 0.0463 0.0480 0.0412 138 GLY a O ? ? 1 +26088 N N A MET U 129 0.4649 0.8990 0.7907 0.0420 0.0511 0.0404 139 MET a N ? ? 1 +26089 N N B MET U 129 0.4642 0.8984 0.7902 0.0419 0.0512 0.0405 139 MET a N ? ? 1 +26090 C CA A MET U 129 0.4578 0.8939 0.7868 0.0420 0.0420 0.0372 139 MET a CA ? ? 1 +26091 C CA B MET U 129 0.4569 0.8932 0.7862 0.0419 0.0420 0.0373 139 MET a CA ? ? 1 +26092 C C A MET U 129 0.4620 0.8957 0.7874 0.0441 0.0432 0.0340 139 MET a C ? ? 1 +26093 C C B MET U 129 0.4609 0.8950 0.7868 0.0440 0.0432 0.0340 139 MET a C ? ? 1 +26094 O O A MET U 129 0.4674 0.9007 0.7917 0.0453 0.0513 0.0343 139 MET a O ? ? 1 +26095 O O B MET U 129 0.4667 0.9003 0.7914 0.0452 0.0513 0.0343 139 MET a O ? ? 1 +26096 C CB A MET U 129 0.4370 0.8861 0.7862 0.0385 0.0389 0.0373 139 MET a CB ? ? 1 +26097 C CB B MET U 129 0.4359 0.8852 0.7855 0.0384 0.0389 0.0374 139 MET a CB ? ? 1 +26098 C CG A MET U 129 0.4311 0.8825 0.7841 0.0366 0.0338 0.0392 139 MET a CG ? ? 1 +26099 C CG B MET U 129 0.4298 0.8815 0.7833 0.0365 0.0344 0.0394 139 MET a CG ? ? 1 +26100 S SD A MET U 129 0.4074 0.8740 0.7842 0.0326 0.0328 0.0398 139 MET a SD ? ? 1 +26101 S SD B MET U 129 0.4062 0.8730 0.7834 0.0325 0.0332 0.0399 139 MET a SD ? ? 1 +26102 C CE A MET U 129 0.3998 0.8701 0.7826 0.0325 0.0262 0.0357 139 MET a CE ? ? 1 +26103 C CE B MET U 129 0.3992 0.8692 0.7815 0.0325 0.0263 0.0359 139 MET a CE ? ? 1 +26104 N N A ARG U 130 0.4596 0.8923 0.7840 0.0443 0.0351 0.0308 140 ARG a N ? ? 1 +26105 N N B ARG U 130 0.4582 0.8913 0.7832 0.0442 0.0351 0.0309 140 ARG a N ? ? 1 +26106 C CA A ARG U 130 0.4604 0.8920 0.7842 0.0457 0.0353 0.0275 140 ARG a CA ? ? 1 +26107 C CA B ARG U 130 0.4590 0.8909 0.7832 0.0456 0.0353 0.0276 140 ARG a CA ? ? 1 +26108 C C A ARG U 130 0.4421 0.8860 0.7853 0.0434 0.0371 0.0273 140 ARG a C ? ? 1 +26109 C C B ARG U 130 0.4404 0.8845 0.7840 0.0434 0.0369 0.0273 140 ARG a C ? ? 1 +26110 O O A ARG U 130 0.4281 0.8806 0.7844 0.0405 0.0349 0.0288 140 ARG a O ? ? 1 +26111 O O B ARG U 130 0.4263 0.8791 0.7831 0.0405 0.0347 0.0288 140 ARG a O ? ? 1 +26112 C CB A ARG U 130 0.4662 0.8916 0.7813 0.0465 0.0262 0.0241 140 ARG a CB ? ? 1 +26113 C CB B ARG U 130 0.4652 0.8907 0.7805 0.0465 0.0262 0.0242 140 ARG a CB ? ? 1 +26114 C CG A ARG U 130 0.4872 0.8989 0.7807 0.0500 0.0262 0.0234 140 ARG a CG ? ? 1 +26115 C CG B ARG U 130 0.4863 0.8982 0.7800 0.0499 0.0262 0.0236 140 ARG a CG ? ? 1 +26116 C CD A ARG U 130 0.4929 0.8993 0.7779 0.0502 0.0163 0.0215 140 ARG a CD ? ? 1 +26117 C CD B ARG U 130 0.4923 0.8989 0.7776 0.0502 0.0161 0.0216 140 ARG a CD ? ? 1 +26118 N NE A ARG U 130 0.4854 0.8952 0.7773 0.0487 0.0093 0.0179 140 ARG a NE ? ? 1 +26119 N NE B ARG U 130 0.4846 0.8949 0.7773 0.0486 0.0092 0.0179 140 ARG a NE ? ? 1 +26120 C CZ A ARG U 130 0.4927 0.8971 0.7780 0.0501 0.0085 0.0144 140 ARG a CZ ? ? 1 +26121 C CZ B ARG U 130 0.4927 0.8974 0.7784 0.0500 0.0078 0.0144 140 ARG a CZ ? ? 1 +26122 N NH1 A ARG U 130 0.5084 0.9034 0.7793 0.0535 0.0136 0.0140 140 ARG a NH1 ? ? 1 +26123 N NH1 B ARG U 130 0.5093 0.9040 0.7797 0.0533 0.0123 0.0138 140 ARG a NH1 ? ? 1 +26124 N NH2 A ARG U 130 0.4850 0.8931 0.7780 0.0482 0.0024 0.0114 140 ARG a NH2 ? ? 1 +26125 N NH2 B ARG U 130 0.4848 0.8935 0.7787 0.0479 0.0018 0.0114 140 ARG a NH2 ? ? 1 +26126 N N A PRO U 131 0.4419 0.8868 0.7873 0.0449 0.0413 0.0255 141 PRO a N ? ? 1 +26127 N N B PRO U 131 0.4402 0.8852 0.7857 0.0449 0.0412 0.0255 141 PRO a N ? ? 1 +26128 C CA A PRO U 131 0.4272 0.8833 0.7896 0.0436 0.0455 0.0261 141 PRO a CA ? ? 1 +26129 C CA B PRO U 131 0.4255 0.8815 0.7879 0.0436 0.0455 0.0260 141 PRO a CA ? ? 1 +26130 C C A PRO U 131 0.4125 0.8759 0.7881 0.0417 0.0400 0.0242 141 PRO a C ? ? 1 +26131 C C B PRO U 131 0.4109 0.8742 0.7864 0.0418 0.0401 0.0241 141 PRO a C ? ? 1 +26132 O O A PRO U 131 0.4003 0.8733 0.7904 0.0404 0.0427 0.0249 141 PRO a O ? ? 1 +26133 O O B PRO U 131 0.3996 0.8721 0.7890 0.0408 0.0433 0.0247 141 PRO a O ? ? 1 +26134 C CB A PRO U 131 0.4370 0.8894 0.7935 0.0468 0.0531 0.0250 141 PRO a CB ? ? 1 +26135 C CB B PRO U 131 0.4359 0.8879 0.7918 0.0468 0.0531 0.0250 141 PRO a CB ? ? 1 +26136 C CG A PRO U 131 0.4529 0.8929 0.7919 0.0495 0.0494 0.0223 141 PRO a CG ? ? 1 +26137 C CG B PRO U 131 0.4511 0.8911 0.7901 0.0494 0.0491 0.0222 141 PRO a CG ? ? 1 +26138 C CD A PRO U 131 0.4574 0.8922 0.7882 0.0484 0.0426 0.0230 141 PRO a CD ? ? 1 +26139 C CD B PRO U 131 0.4555 0.8905 0.7866 0.0483 0.0422 0.0229 141 PRO a CD ? ? 1 +26140 N N A TRP U 132 0.4140 0.8728 0.7845 0.0414 0.0321 0.0217 142 TRP a N ? ? 1 +26141 N N B TRP U 132 0.4114 0.8705 0.7823 0.0413 0.0321 0.0217 142 TRP a N ? ? 1 +26142 C CA A TRP U 132 0.4050 0.8673 0.7837 0.0405 0.0283 0.0191 142 TRP a CA ? ? 1 +26143 C CA B TRP U 132 0.4027 0.8650 0.7814 0.0405 0.0282 0.0191 142 TRP a CA ? ? 1 +26144 C C A TRP U 132 0.3877 0.8591 0.7811 0.0368 0.0228 0.0195 142 TRP a C ? ? 1 +26145 C C B TRP U 132 0.3853 0.8566 0.7786 0.0368 0.0226 0.0194 142 TRP a C ? ? 1 +26146 O O A TRP U 132 0.3828 0.8559 0.7815 0.0359 0.0190 0.0173 142 TRP a O ? ? 1 +26147 O O B TRP U 132 0.3809 0.8536 0.7791 0.0359 0.0187 0.0172 142 TRP a O ? ? 1 +26148 C CB A TRP U 132 0.4175 0.8698 0.7831 0.0420 0.0233 0.0156 142 TRP a CB ? ? 1 +26149 C CB B TRP U 132 0.4156 0.8676 0.7808 0.0421 0.0234 0.0156 142 TRP a CB ? ? 1 +26150 C CG A TRP U 132 0.4335 0.8768 0.7854 0.0458 0.0287 0.0146 142 TRP a CG ? ? 1 +26151 C CG B TRP U 132 0.4317 0.8747 0.7832 0.0460 0.0289 0.0146 142 TRP a CG ? ? 1 +26152 C CD1 A TRP U 132 0.4347 0.8795 0.7888 0.0481 0.0360 0.0145 142 TRP a CD1 ? ? 1 +26153 C CD1 B TRP U 132 0.4330 0.8775 0.7868 0.0482 0.0361 0.0144 142 TRP a CD1 ? ? 1 +26154 C CD2 A TRP U 132 0.4512 0.8828 0.7848 0.0481 0.0272 0.0133 142 TRP a CD2 ? ? 1 +26155 C CD2 B TRP U 132 0.4494 0.8807 0.7826 0.0482 0.0274 0.0133 142 TRP a CD2 ? ? 1 +26156 N NE1 A TRP U 132 0.4517 0.8863 0.7901 0.0516 0.0395 0.0133 142 TRP a NE1 ? ? 1 +26157 N NE1 B TRP U 132 0.4500 0.8843 0.7880 0.0517 0.0396 0.0133 142 TRP a NE1 ? ? 1 +26158 C CE2 A TRP U 132 0.4624 0.8884 0.7875 0.0516 0.0341 0.0126 142 TRP a CE2 ? ? 1 +26159 C CE2 B TRP U 132 0.4607 0.8865 0.7855 0.0517 0.0343 0.0126 142 TRP a CE2 ? ? 1 +26160 C CE3 A TRP U 132 0.4592 0.8844 0.7825 0.0477 0.0205 0.0126 142 TRP a CE3 ? ? 1 +26161 C CE3 B TRP U 132 0.4575 0.8825 0.7804 0.0478 0.0208 0.0127 142 TRP a CE3 ? ? 1 +26162 C CZ2 A TRP U 132 0.4812 0.8951 0.7876 0.0546 0.0347 0.0113 142 TRP a CZ2 ? ? 1 +26163 C CZ2 B TRP U 132 0.4796 0.8933 0.7857 0.0547 0.0350 0.0113 142 TRP a CZ2 ? ? 1 +26164 C CZ3 A TRP U 132 0.4776 0.8910 0.7824 0.0507 0.0207 0.0113 142 TRP a CZ3 ? ? 1 +26165 C CZ3 B TRP U 132 0.4761 0.8892 0.7804 0.0508 0.0211 0.0114 142 TRP a CZ3 ? ? 1 +26166 C CH2 A TRP U 132 0.4888 0.8964 0.7851 0.0540 0.0278 0.0106 142 TRP a CH2 ? ? 1 +26167 C CH2 B TRP U 132 0.4873 0.8947 0.7831 0.0541 0.0282 0.0108 142 TRP a CH2 ? ? 1 +26168 N N A ILE U 133 0.3792 0.8563 0.7792 0.0348 0.0228 0.0223 143 ILE a N ? ? 1 +26169 N N B ILE U 133 0.3764 0.8535 0.7765 0.0347 0.0227 0.0223 143 ILE a N ? ? 1 +26170 C CA A ILE U 133 0.3626 0.8489 0.7773 0.0314 0.0186 0.0229 143 ILE a CA ? ? 1 +26171 C CA B ILE U 133 0.3598 0.8461 0.7747 0.0314 0.0186 0.0228 143 ILE a CA ? ? 1 +26172 C C A ILE U 133 0.3510 0.8450 0.7787 0.0311 0.0219 0.0226 143 ILE a C ? ? 1 +26173 C C B ILE U 133 0.3484 0.8425 0.7763 0.0311 0.0218 0.0226 143 ILE a C ? ? 1 +26174 O O A ILE U 133 0.3410 0.8397 0.7779 0.0291 0.0177 0.0215 143 ILE a O ? ? 1 +26175 O O B ILE U 133 0.3382 0.8369 0.7752 0.0291 0.0175 0.0215 143 ILE a O ? ? 1 +26176 C CB A ILE U 133 0.3572 0.8477 0.7763 0.0296 0.0187 0.0260 143 ILE a CB ? ? 1 +26177 C CB B ILE U 133 0.3542 0.8449 0.7736 0.0295 0.0186 0.0260 143 ILE a CB ? ? 1 +26178 C CG1 A ILE U 133 0.3653 0.8494 0.7739 0.0296 0.0126 0.0258 143 ILE a CG1 ? ? 1 +26179 C CG1 B ILE U 133 0.3620 0.8465 0.7712 0.0294 0.0125 0.0258 143 ILE a CG1 ? ? 1 +26180 C CG2 A ILE U 133 0.3398 0.8412 0.7759 0.0265 0.0170 0.0270 143 ILE a CG2 ? ? 1 +26181 C CG2 B ILE U 133 0.3367 0.8383 0.7732 0.0264 0.0168 0.0270 143 ILE a CG2 ? ? 1 +26182 C CD1 A ILE U 133 0.3623 0.8488 0.7729 0.0283 0.0128 0.0289 143 ILE a CD1 ? ? 1 +26183 C CD1 B ILE U 133 0.3594 0.8461 0.7703 0.0283 0.0128 0.0289 143 ILE a CD1 ? ? 1 +26184 N N A CYS U 134 0.3529 0.8482 0.7812 0.0331 0.0295 0.0236 144 CYS a N ? ? 1 +26185 N N B CYS U 134 0.3501 0.8456 0.7788 0.0331 0.0294 0.0235 144 CYS a N ? ? 1 +26186 C CA A CYS U 134 0.3431 0.8458 0.7832 0.0334 0.0330 0.0233 144 CYS a CA ? ? 1 +26187 C CA B CYS U 134 0.3404 0.8433 0.7809 0.0334 0.0328 0.0232 144 CYS a CA ? ? 1 +26188 C C A CYS U 134 0.3446 0.8437 0.7828 0.0348 0.0301 0.0201 144 CYS a C ? ? 1 +26189 C C B CYS U 134 0.3419 0.8411 0.7805 0.0347 0.0299 0.0201 144 CYS a C ? ? 1 +26190 O O A CYS U 134 0.3349 0.8400 0.7837 0.0343 0.0299 0.0196 144 CYS a O ? ? 1 +26191 O O B CYS U 134 0.3316 0.8369 0.7810 0.0340 0.0291 0.0195 144 CYS a O ? ? 1 +26192 C CB A CYS U 134 0.3473 0.8517 0.7874 0.0356 0.0417 0.0246 144 CYS a CB ? ? 1 +26193 C CB B CYS U 134 0.3444 0.8491 0.7851 0.0356 0.0415 0.0245 144 CYS a CB ? ? 1 +26194 S SG A CYS U 134 0.3665 0.8598 0.7900 0.0400 0.0459 0.0226 144 CYS a SG ? ? 1 +26195 S SG B CYS U 134 0.3645 0.8577 0.7878 0.0399 0.0458 0.0228 144 CYS a SG ? ? 1 +26196 N N A VAL U 135 0.3574 0.8462 0.7814 0.0365 0.0281 0.0180 145 VAL a N ? ? 1 +26197 N N B VAL U 135 0.3551 0.8440 0.7793 0.0366 0.0283 0.0180 145 VAL a N ? ? 1 +26198 C CA A VAL U 135 0.3611 0.8449 0.7815 0.0376 0.0253 0.0149 145 VAL a CA ? ? 1 +26199 C CA B VAL U 135 0.3592 0.8429 0.7796 0.0376 0.0252 0.0148 145 VAL a CA ? ? 1 +26200 C C A VAL U 135 0.3515 0.8379 0.7788 0.0342 0.0179 0.0138 145 VAL a C ? ? 1 +26201 C C B VAL U 135 0.3496 0.8360 0.7770 0.0342 0.0179 0.0138 145 VAL a C ? ? 1 +26202 O O A VAL U 135 0.3490 0.8352 0.7798 0.0342 0.0164 0.0119 145 VAL a O ? ? 1 +26203 O O B VAL U 135 0.3469 0.8333 0.7780 0.0342 0.0164 0.0119 145 VAL a O ? ? 1 +26204 C CB A VAL U 135 0.3788 0.8505 0.7816 0.0401 0.0249 0.0128 145 VAL a CB ? ? 1 +26205 C CB B VAL U 135 0.3767 0.8483 0.7795 0.0400 0.0245 0.0127 145 VAL a CB ? ? 1 +26206 C CG1 A VAL U 135 0.3837 0.8493 0.7822 0.0406 0.0210 0.0093 145 VAL a CG1 ? ? 1 +26207 C CG1 B VAL U 135 0.3817 0.8472 0.7801 0.0405 0.0207 0.0092 145 VAL a CG1 ? ? 1 +26208 C CG2 A VAL U 135 0.3884 0.8573 0.7844 0.0437 0.0330 0.0137 145 VAL a CG2 ? ? 1 +26209 C CG2 B VAL U 135 0.3869 0.8552 0.7821 0.0435 0.0324 0.0136 145 VAL a CG2 ? ? 1 +26210 N N A ALA U 136 0.3466 0.8352 0.7756 0.0314 0.0135 0.0149 146 ALA a N ? ? 1 +26211 N N B ALA U 136 0.3449 0.8334 0.7740 0.0314 0.0134 0.0149 146 ALA a N ? ? 1 +26212 C CA A ALA U 136 0.3373 0.8292 0.7737 0.0280 0.0069 0.0140 146 ALA a CA ? ? 1 +26213 C CA B ALA U 136 0.3357 0.8277 0.7723 0.0280 0.0068 0.0140 146 ALA a CA ? ? 1 +26214 C C A ALA U 136 0.3214 0.8234 0.7735 0.0264 0.0084 0.0156 146 ALA a C ? ? 1 +26215 C C B ALA U 136 0.3200 0.8222 0.7723 0.0264 0.0083 0.0156 146 ALA a C ? ? 1 +26216 O O A ALA U 136 0.3151 0.8190 0.7734 0.0248 0.0051 0.0142 146 ALA a O ? ? 1 +26217 O O B ALA U 136 0.3135 0.8175 0.7720 0.0248 0.0051 0.0142 146 ALA a O ? ? 1 +26218 C CB A ALA U 136 0.3374 0.8293 0.7715 0.0260 0.0020 0.0148 146 ALA a CB ? ? 1 +26219 C CB B ALA U 136 0.3361 0.8278 0.7701 0.0259 0.0018 0.0147 146 ALA a CB ? ? 1 +26220 N N A TYR U 137 0.3157 0.8240 0.7739 0.0269 0.0135 0.0183 147 TYR a N ? ? 1 +26221 N N B TYR U 137 0.3144 0.8228 0.7728 0.0268 0.0133 0.0183 147 TYR a N ? ? 1 +26222 C CA A TYR U 137 0.3014 0.8195 0.7743 0.0256 0.0151 0.0198 147 TYR a CA ? ? 1 +26223 C CA B TYR U 137 0.3005 0.8187 0.7735 0.0256 0.0151 0.0198 147 TYR a CA ? ? 1 +26224 C C A TYR U 137 0.3007 0.8194 0.7769 0.0279 0.0181 0.0184 147 TYR a C ? ? 1 +26225 C C B TYR U 137 0.3002 0.8192 0.7766 0.0279 0.0183 0.0185 147 TYR a C ? ? 1 +26226 O O A TYR U 137 0.2902 0.8157 0.7777 0.0269 0.0177 0.0189 147 TYR a O ? ? 1 +26227 O O B TYR U 137 0.2897 0.8157 0.7775 0.0271 0.0183 0.0191 147 TYR a O ? ? 1 +26228 C CB A TYR U 137 0.2972 0.8211 0.7749 0.0255 0.0198 0.0228 147 TYR a CB ? ? 1 +26229 C CB B TYR U 137 0.2961 0.8201 0.7739 0.0254 0.0197 0.0228 147 TYR a CB ? ? 1 +26230 C CG A TYR U 137 0.2836 0.8179 0.7763 0.0243 0.0219 0.0242 147 TYR a CG ? ? 1 +26231 C CG B TYR U 137 0.2824 0.8167 0.7751 0.0242 0.0217 0.0243 147 TYR a CG ? ? 1 +26232 C CD1 A TYR U 137 0.2717 0.8117 0.7741 0.0212 0.0175 0.0248 147 TYR a CD1 ? ? 1 +26233 C CD1 B TYR U 137 0.2706 0.8106 0.7729 0.0211 0.0172 0.0248 147 TYR a CD1 ? ? 1 +26234 C CD2 A TYR U 137 0.2825 0.8211 0.7798 0.0264 0.0283 0.0249 147 TYR a CD2 ? ? 1 +26235 C CD2 B TYR U 137 0.2813 0.8200 0.7786 0.0262 0.0282 0.0250 147 TYR a CD2 ? ? 1 +26236 C CE1 A TYR U 137 0.2602 0.8093 0.7756 0.0203 0.0191 0.0260 147 TYR a CE1 ? ? 1 +26237 C CE1 B TYR U 137 0.2590 0.8081 0.7744 0.0201 0.0189 0.0260 147 TYR a CE1 ? ? 1 +26238 C CE2 A TYR U 137 0.2704 0.8187 0.7815 0.0254 0.0298 0.0260 147 TYR a CE2 ? ? 1 +26239 C CE2 B TYR U 137 0.2690 0.8174 0.7802 0.0252 0.0297 0.0261 147 TYR a CE2 ? ? 1 +26240 C CZ A TYR U 137 0.2595 0.8128 0.7793 0.0224 0.0252 0.0266 147 TYR a CZ ? ? 1 +26241 C CZ B TYR U 137 0.2582 0.8114 0.7779 0.0222 0.0249 0.0266 147 TYR a CZ ? ? 1 +26242 O OH A TYR U 137 0.2485 0.8110 0.7812 0.0215 0.0265 0.0276 147 TYR a OH ? ? 1 +26243 O OH B TYR U 137 0.2471 0.8096 0.7798 0.0213 0.0262 0.0277 147 TYR a OH ? ? 1 +26244 N N . SER U 138 0.3123 0.8238 0.7784 0.0311 0.0208 0.0168 148 SER a N ? ? 1 +26245 C CA . SER U 138 0.3134 0.8243 0.7812 0.0339 0.0235 0.0153 148 SER a CA ? ? 1 +26246 C CB . SER U 138 0.3284 0.8306 0.7833 0.0377 0.0270 0.0137 148 SER a CB ? ? 1 +26247 O OG . SER U 138 0.3388 0.8311 0.7824 0.0375 0.0225 0.0111 148 SER a OG ? ? 1 +26248 C C . SER U 138 0.3094 0.8191 0.7805 0.0324 0.0184 0.0135 148 SER a C ? ? 1 +26249 O O . SER U 138 0.3062 0.8180 0.7827 0.0340 0.0200 0.0129 148 SER a O ? ? 1 +26250 N N A ALA U 139 0.3099 0.8160 0.7775 0.0294 0.0124 0.0125 149 ALA a N ? ? 1 +26251 N N B ALA U 139 0.3103 0.8162 0.7777 0.0295 0.0124 0.0125 149 ALA a N ? ? 1 +26252 C CA A ALA U 139 0.3069 0.8112 0.7771 0.0273 0.0076 0.0107 149 ALA a CA ? ? 1 +26253 C CA B ALA U 139 0.3074 0.8114 0.7772 0.0274 0.0076 0.0106 149 ALA a CA ? ? 1 +26254 C C A ALA U 139 0.2922 0.8058 0.7766 0.0253 0.0070 0.0123 149 ALA a C ? ? 1 +26255 C C B ALA U 139 0.2927 0.8059 0.7767 0.0253 0.0069 0.0122 149 ALA a C ? ? 1 +26256 O O A ALA U 139 0.2899 0.8038 0.7783 0.0262 0.0075 0.0116 149 ALA a O ? ? 1 +26257 O O B ALA U 139 0.2904 0.8036 0.7782 0.0260 0.0070 0.0114 149 ALA a O ? ? 1 +26258 C CB A ALA U 139 0.3109 0.8103 0.7749 0.0244 0.0015 0.0092 149 ALA a CB ? ? 1 +26259 C CB B ALA U 139 0.3119 0.8107 0.7753 0.0245 0.0016 0.0091 149 ALA a CB ? ? 1 +26260 N N A PRO U 140 0.2827 0.8035 0.7745 0.0227 0.0058 0.0145 150 PRO a N ? ? 1 +26261 N N B PRO U 140 0.2830 0.8038 0.7747 0.0228 0.0059 0.0145 150 PRO a N ? ? 1 +26262 C CA A PRO U 140 0.2695 0.7993 0.7746 0.0211 0.0058 0.0161 150 PRO a CA ? ? 1 +26263 C CA B PRO U 140 0.2700 0.7996 0.7749 0.0211 0.0058 0.0160 150 PRO a CA ? ? 1 +26264 C C A PRO U 140 0.2667 0.8017 0.7779 0.0241 0.0113 0.0172 150 PRO a C ? ? 1 +26265 C C B PRO U 140 0.2669 0.8020 0.7782 0.0241 0.0113 0.0172 150 PRO a C ? ? 1 +26266 O O A PRO U 140 0.2599 0.7990 0.7791 0.0241 0.0111 0.0173 150 PRO a O ? ? 1 +26267 O O B PRO U 140 0.2602 0.7995 0.7796 0.0241 0.0111 0.0173 150 PRO a O ? ? 1 +26268 C CB A PRO U 140 0.2624 0.7976 0.7719 0.0182 0.0040 0.0181 150 PRO a CB ? ? 1 +26269 C CB B PRO U 140 0.2627 0.7976 0.7721 0.0180 0.0036 0.0180 150 PRO a CB ? ? 1 +26270 C CG A PRO U 140 0.2723 0.8022 0.7712 0.0192 0.0047 0.0181 150 PRO a CG ? ? 1 +26271 C CG B PRO U 140 0.2718 0.8021 0.7713 0.0191 0.0046 0.0181 150 PRO a CG ? ? 1 +26272 C CD A PRO U 140 0.2848 0.8051 0.7723 0.0212 0.0041 0.0154 150 PRO a CD ? ? 1 +26273 C CD B PRO U 140 0.2848 0.8053 0.7725 0.0213 0.0044 0.0155 150 PRO a CD ? ? 1 +26274 N N . LEU U 141 0.2725 0.8073 0.7798 0.0267 0.0161 0.0179 151 LEU a N ? ? 1 +26275 C CA . LEU U 141 0.2706 0.8109 0.7839 0.0296 0.0216 0.0186 151 LEU a CA ? ? 1 +26276 C CB . LEU U 141 0.2773 0.8172 0.7856 0.0315 0.0270 0.0195 151 LEU a CB ? ? 1 +26277 C CG . LEU U 141 0.2748 0.8215 0.7902 0.0344 0.0331 0.0201 151 LEU a CG ? ? 1 +26278 C CD1 . LEU U 141 0.2610 0.8186 0.7907 0.0324 0.0331 0.0219 151 LEU a CD1 ? ? 1 +26279 C CD2 . LEU U 141 0.2831 0.8282 0.7924 0.0361 0.0386 0.0207 151 LEU a CD2 ? ? 1 +26280 C C . LEU U 141 0.2756 0.8122 0.7872 0.0327 0.0223 0.0166 151 LEU a C ? ? 1 +26281 O O . LEU U 141 0.2698 0.8122 0.7902 0.0340 0.0236 0.0169 151 LEU a O ? ? 1 +26282 N N A ALA U 142 0.2873 0.8137 0.7871 0.0341 0.0212 0.0144 152 ALA a N ? ? 1 +26283 N N B ALA U 142 0.2870 0.8134 0.7868 0.0340 0.0211 0.0144 152 ALA a N ? ? 1 +26284 C CA A ALA U 142 0.2930 0.8142 0.7895 0.0372 0.0216 0.0124 152 ALA a CA ? ? 1 +26285 C CA B ALA U 142 0.2929 0.8140 0.7893 0.0371 0.0216 0.0124 152 ALA a CA ? ? 1 +26286 C C A ALA U 142 0.2853 0.8081 0.7887 0.0353 0.0177 0.0121 152 ALA a C ? ? 1 +26287 C C B ALA U 142 0.2853 0.8079 0.7885 0.0353 0.0177 0.0121 152 ALA a C ? ? 1 +26288 O O A ALA U 142 0.2854 0.8082 0.7915 0.0380 0.0189 0.0115 152 ALA a O ? ? 1 +26289 O O B ALA U 142 0.2859 0.8081 0.7913 0.0381 0.0188 0.0113 152 ALA a O ? ? 1 +26290 C CB A ALA U 142 0.3070 0.8164 0.7892 0.0382 0.0204 0.0100 152 ALA a CB ? ? 1 +26291 C CB B ALA U 142 0.3069 0.8162 0.7890 0.0381 0.0203 0.0100 152 ALA a CB ? ? 1 +26292 N N A SER U 143 0.2792 0.8031 0.7851 0.0308 0.0130 0.0127 153 SER a N ? ? 1 +26293 N N B SER U 143 0.2789 0.8030 0.7851 0.0308 0.0131 0.0127 153 SER a N ? ? 1 +26294 C CA A SER U 143 0.2725 0.7975 0.7844 0.0285 0.0093 0.0125 153 SER a CA ? ? 1 +26295 C CA B SER U 143 0.2722 0.7972 0.7841 0.0284 0.0093 0.0125 153 SER a CA ? ? 1 +26296 C C A SER U 143 0.2613 0.7962 0.7856 0.0291 0.0111 0.0144 153 SER a C ? ? 1 +26297 C C B SER U 143 0.2604 0.7954 0.7848 0.0289 0.0110 0.0144 153 SER a C ? ? 1 +26298 O O A SER U 143 0.2589 0.7936 0.7867 0.0299 0.0103 0.0140 153 SER a O ? ? 1 +26299 O O B SER U 143 0.2574 0.7924 0.7855 0.0296 0.0100 0.0141 153 SER a O ? ? 1 +26300 C CB A SER U 143 0.2686 0.7931 0.7806 0.0235 0.0043 0.0125 153 SER a CB ? ? 1 +26301 C CB B SER U 143 0.2692 0.7934 0.7807 0.0236 0.0043 0.0124 153 SER a CB ? ? 1 +26302 O OG A SER U 143 0.2788 0.7943 0.7795 0.0229 0.0021 0.0104 153 SER a OG ? ? 1 +26303 O OG B SER U 143 0.2794 0.7948 0.7794 0.0232 0.0025 0.0104 153 SER a OG ? ? 1 +26304 N N A ALA U 144 0.2555 0.7985 0.7860 0.0287 0.0134 0.0164 154 ALA a N ? ? 1 +26305 N N B ALA U 144 0.2545 0.7975 0.7849 0.0286 0.0134 0.0164 154 ALA a N ? ? 1 +26306 C CA A ALA U 144 0.2463 0.7992 0.7886 0.0293 0.0153 0.0180 154 ALA a CA ? ? 1 +26307 C CA B ALA U 144 0.2453 0.7983 0.7875 0.0292 0.0154 0.0180 154 ALA a CA ? ? 1 +26308 C C A ALA U 144 0.2505 0.8042 0.7939 0.0342 0.0191 0.0172 154 ALA a C ? ? 1 +26309 C C B ALA U 144 0.2492 0.8028 0.7924 0.0341 0.0191 0.0172 154 ALA a C ? ? 1 +26310 O O A ALA U 144 0.2451 0.8031 0.7958 0.0354 0.0188 0.0174 154 ALA a O ? ? 1 +26311 O O B ALA U 144 0.2441 0.8015 0.7943 0.0353 0.0186 0.0174 154 ALA a O ? ? 1 +26312 C CB A ALA U 144 0.2406 0.8009 0.7880 0.0277 0.0175 0.0200 154 ALA a CB ? ? 1 +26313 C CB B ALA U 144 0.2400 0.8003 0.7871 0.0277 0.0176 0.0201 154 ALA a CB ? ? 1 +26314 N N A PHE U 145 0.2611 0.8104 0.7969 0.0374 0.0227 0.0162 155 PHE a N ? ? 1 +26315 N N B PHE U 145 0.2594 0.8090 0.7953 0.0373 0.0228 0.0163 155 PHE a N ? ? 1 +26316 C CA A PHE U 145 0.2670 0.8164 0.8029 0.0425 0.0263 0.0151 155 PHE a CA ? ? 1 +26317 C CA B PHE U 145 0.2654 0.8146 0.8011 0.0424 0.0263 0.0151 155 PHE a CA ? ? 1 +26318 C C A PHE U 145 0.2707 0.8136 0.8037 0.0440 0.0234 0.0135 155 PHE a C ? ? 1 +26319 C C B PHE U 145 0.2690 0.8118 0.8018 0.0440 0.0236 0.0136 155 PHE a C ? ? 1 +26320 O O A PHE U 145 0.2695 0.8155 0.8078 0.0473 0.0245 0.0133 155 PHE a O ? ? 1 +26321 O O B PHE U 145 0.2684 0.8143 0.8062 0.0475 0.0249 0.0133 155 PHE a O ? ? 1 +26322 C CB A PHE U 145 0.2787 0.8230 0.8053 0.0456 0.0306 0.0141 155 PHE a CB ? ? 1 +26323 C CB B PHE U 145 0.2772 0.8212 0.8033 0.0454 0.0305 0.0141 155 PHE a CB ? ? 1 +26324 C CG A PHE U 145 0.2766 0.8291 0.8084 0.0465 0.0359 0.0154 155 PHE a CG ? ? 1 +26325 C CG B PHE U 145 0.2748 0.8271 0.8064 0.0463 0.0358 0.0155 155 PHE a CG ? ? 1 +26326 C CD1 A PHE U 145 0.2753 0.8346 0.8143 0.0504 0.0401 0.0152 155 PHE a CD1 ? ? 1 +26327 C CD1 B PHE U 145 0.2732 0.8325 0.8122 0.0500 0.0399 0.0153 155 PHE a CD1 ? ? 1 +26328 C CD2 A PHE U 145 0.2763 0.8297 0.8062 0.0435 0.0366 0.0168 155 PHE a CD2 ? ? 1 +26329 C CD2 B PHE U 145 0.2745 0.8278 0.8042 0.0433 0.0365 0.0169 155 PHE a CD2 ? ? 1 +26330 C CE1 A PHE U 145 0.2737 0.8407 0.8180 0.0508 0.0453 0.0163 155 PHE a CE1 ? ? 1 +26331 C CE1 B PHE U 145 0.2713 0.8385 0.8158 0.0504 0.0450 0.0164 155 PHE a CE1 ? ? 1 +26332 C CE2 A PHE U 145 0.2751 0.8353 0.8094 0.0441 0.0419 0.0181 155 PHE a CE2 ? ? 1 +26333 C CE2 B PHE U 145 0.2729 0.8333 0.8074 0.0438 0.0417 0.0182 155 PHE a CE2 ? ? 1 +26334 C CZ A PHE U 145 0.2735 0.8406 0.8152 0.0475 0.0463 0.0178 155 PHE a CZ ? ? 1 +26335 C CZ B PHE U 145 0.2711 0.8386 0.8133 0.0471 0.0461 0.0179 155 PHE a CZ ? ? 1 +26336 N N A ALA U 146 0.2758 0.8095 0.8005 0.0415 0.0197 0.0124 156 ALA a N ? ? 1 +26337 N N B ALA U 146 0.2732 0.8071 0.7981 0.0414 0.0196 0.0125 156 ALA a N ? ? 1 +26338 C CA A ALA U 146 0.2813 0.8068 0.8012 0.0426 0.0172 0.0108 156 ALA a CA ? ? 1 +26339 C CA B ALA U 146 0.2787 0.8044 0.7988 0.0427 0.0174 0.0108 156 ALA a CA ? ? 1 +26340 C C A ALA U 146 0.2720 0.8025 0.8012 0.0421 0.0153 0.0118 156 ALA a C ? ? 1 +26341 C C B ALA U 146 0.2692 0.7997 0.7983 0.0421 0.0153 0.0118 156 ALA a C ? ? 1 +26342 O O A ALA U 146 0.2760 0.8036 0.8045 0.0456 0.0157 0.0110 156 ALA a O ? ? 1 +26343 O O B ALA U 146 0.2735 0.8006 0.8017 0.0455 0.0155 0.0109 156 ALA a O ? ? 1 +26344 C CB A ALA U 146 0.2873 0.8035 0.7983 0.0389 0.0133 0.0095 156 ALA a CB ? ? 1 +26345 C CB B ALA U 146 0.2852 0.8013 0.7960 0.0392 0.0135 0.0094 156 ALA a CB ? ? 1 +26346 N N A VAL U 147 0.2604 0.7981 0.7976 0.0380 0.0132 0.0135 157 VAL a N ? ? 1 +26347 N N B VAL U 147 0.2574 0.7950 0.7945 0.0380 0.0132 0.0135 157 VAL a N ? ? 1 +26348 C CA A VAL U 147 0.2522 0.7933 0.7968 0.0367 0.0106 0.0144 157 VAL a CA ? ? 1 +26349 C CA B VAL U 147 0.2490 0.7900 0.7935 0.0366 0.0106 0.0144 157 VAL a CA ? ? 1 +26350 C C A VAL U 147 0.2436 0.7956 0.7992 0.0390 0.0129 0.0158 157 VAL a C ? ? 1 +26351 C C B VAL U 147 0.2400 0.7919 0.7955 0.0390 0.0129 0.0158 157 VAL a C ? ? 1 +26352 O O A VAL U 147 0.2389 0.7931 0.7997 0.0396 0.0113 0.0162 157 VAL a O ? ? 1 +26353 O O B VAL U 147 0.2357 0.7896 0.7961 0.0398 0.0114 0.0161 157 VAL a O ? ? 1 +26354 C CB A VAL U 147 0.2452 0.7872 0.7921 0.0307 0.0067 0.0152 157 VAL a CB ? ? 1 +26355 C CB B VAL U 147 0.2420 0.7839 0.7887 0.0307 0.0066 0.0152 157 VAL a CB ? ? 1 +26356 C CG1 A VAL U 147 0.2535 0.7850 0.7904 0.0283 0.0040 0.0135 157 VAL a CG1 ? ? 1 +26357 C CG1 B VAL U 147 0.2505 0.7819 0.7871 0.0283 0.0040 0.0134 157 VAL a CG1 ? ? 1 +26358 C CG2 A VAL U 147 0.2375 0.7879 0.7899 0.0284 0.0075 0.0169 157 VAL a CG2 ? ? 1 +26359 C CG2 B VAL U 147 0.2343 0.7847 0.7868 0.0282 0.0074 0.0169 157 VAL a CG2 ? ? 1 +26360 N N A PHE U 148 0.2417 0.8005 0.8008 0.0402 0.0165 0.0164 158 PHE a N ? ? 1 +26361 N N B PHE U 148 0.2376 0.7965 0.7968 0.0399 0.0163 0.0165 158 PHE a N ? ? 1 +26362 C CA A PHE U 148 0.2343 0.8041 0.8044 0.0420 0.0187 0.0175 158 PHE a CA ? ? 1 +26363 C CA B PHE U 148 0.2302 0.8000 0.8003 0.0418 0.0186 0.0176 158 PHE a CA ? ? 1 +26364 C C A PHE U 148 0.2401 0.8112 0.8103 0.0480 0.0226 0.0164 158 PHE a C ? ? 1 +26365 C C B PHE U 148 0.2356 0.8069 0.8061 0.0478 0.0225 0.0164 158 PHE a C ? ? 1 +26366 O O A PHE U 148 0.2345 0.8137 0.8137 0.0504 0.0236 0.0167 158 PHE a O ? ? 1 +26367 O O B PHE U 148 0.2298 0.8093 0.8094 0.0500 0.0234 0.0168 158 PHE a O ? ? 1 +26368 C CB A PHE U 148 0.2275 0.8054 0.8033 0.0390 0.0204 0.0191 158 PHE a CB ? ? 1 +26369 C CB B PHE U 148 0.2235 0.8013 0.7992 0.0388 0.0203 0.0192 158 PHE a CB ? ? 1 +26370 C CG A PHE U 148 0.2200 0.7993 0.7987 0.0336 0.0166 0.0205 158 PHE a CG ? ? 1 +26371 C CG B PHE U 148 0.2158 0.7954 0.7947 0.0335 0.0167 0.0206 158 PHE a CG ? ? 1 +26372 C CD1 A PHE U 148 0.2142 0.7943 0.7972 0.0321 0.0130 0.0208 158 PHE a CD1 ? ? 1 +26373 C CD1 B PHE U 148 0.2098 0.7905 0.7933 0.0320 0.0131 0.0209 158 PHE a CD1 ? ? 1 +26374 C CD2 A PHE U 148 0.2191 0.7989 0.7959 0.0303 0.0168 0.0214 158 PHE a CD2 ? ? 1 +26375 C CD2 B PHE U 148 0.2147 0.7950 0.7919 0.0302 0.0168 0.0215 158 PHE a CD2 ? ? 1 +26376 C CE1 A PHE U 148 0.2075 0.7891 0.7932 0.0273 0.0098 0.0220 158 PHE a CE1 ? ? 1 +26377 C CE1 B PHE U 148 0.2028 0.7853 0.7893 0.0272 0.0100 0.0221 158 PHE a CE1 ? ? 1 +26378 C CE2 A PHE U 148 0.2122 0.7936 0.7919 0.0258 0.0134 0.0225 158 PHE a CE2 ? ? 1 +26379 C CE2 B PHE U 148 0.2076 0.7897 0.7879 0.0257 0.0134 0.0227 158 PHE a CE2 ? ? 1 +26380 C CZ A PHE U 148 0.2063 0.7888 0.7906 0.0243 0.0100 0.0228 158 PHE a CZ ? ? 1 +26381 C CZ B PHE U 148 0.2015 0.7849 0.7867 0.0242 0.0101 0.0229 158 PHE a CZ ? ? 1 +26382 N N A LEU U 149 0.2513 0.8146 0.8117 0.0505 0.0247 0.0149 159 LEU a N ? ? 1 +26383 N N B LEU U 149 0.2470 0.8106 0.8077 0.0503 0.0247 0.0150 159 LEU a N ? ? 1 +26384 C CA A LEU U 149 0.2575 0.8221 0.8176 0.0562 0.0290 0.0137 159 LEU a CA ? ? 1 +26385 C CA B LEU U 149 0.2531 0.8181 0.8136 0.0561 0.0289 0.0138 159 LEU a CA ? ? 1 +26386 C C A LEU U 149 0.2695 0.8226 0.8190 0.0600 0.0285 0.0117 159 LEU a C ? ? 1 +26387 C C B LEU U 149 0.2653 0.8189 0.8153 0.0600 0.0287 0.0117 159 LEU a C ? ? 1 +26388 O O A LEU U 149 0.2721 0.8253 0.8235 0.0645 0.0289 0.0109 159 LEU a O ? ? 1 +26389 O O B LEU U 149 0.2682 0.8225 0.8203 0.0648 0.0294 0.0109 159 LEU a O ? ? 1 +26390 C CB A LEU U 149 0.2602 0.8279 0.8191 0.0563 0.0337 0.0139 159 LEU a CB ? ? 1 +26391 C CB B LEU U 149 0.2557 0.8238 0.8151 0.0562 0.0336 0.0140 159 LEU a CB ? ? 1 +26392 C CG A LEU U 149 0.2656 0.8371 0.8264 0.0620 0.0389 0.0128 159 LEU a CG ? ? 1 +26393 C CG B LEU U 149 0.2608 0.8330 0.8223 0.0618 0.0390 0.0129 159 LEU a CG ? ? 1 +26394 C CD1 A LEU U 149 0.2571 0.8403 0.8313 0.0640 0.0396 0.0132 159 LEU a CD1 ? ? 1 +26395 C CD1 B LEU U 149 0.2521 0.8365 0.8273 0.0635 0.0398 0.0134 159 LEU a CD1 ? ? 1 +26396 C CD2 A LEU U 149 0.2693 0.8423 0.8274 0.0616 0.0438 0.0130 159 LEU a CD2 ? ? 1 +26397 C CD2 B LEU U 149 0.2649 0.8382 0.8232 0.0614 0.0438 0.0131 159 LEU a CD2 ? ? 1 +26398 N N A ILE U 150 0.2776 0.8203 0.8156 0.0583 0.0277 0.0108 160 ILE a N ? ? 1 +26399 N N B ILE U 150 0.2733 0.8164 0.8118 0.0581 0.0275 0.0108 160 ILE a N ? ? 1 +26400 C CA A ILE U 150 0.2902 0.8214 0.8172 0.0619 0.0279 0.0086 160 ILE a CA ? ? 1 +26401 C CA B ILE U 150 0.2861 0.8175 0.8135 0.0617 0.0277 0.0087 160 ILE a CA ? ? 1 +26402 C C A ILE U 150 0.2908 0.8164 0.8168 0.0626 0.0243 0.0081 160 ILE a C ? ? 1 +26403 C C B ILE U 150 0.2863 0.8119 0.8125 0.0622 0.0240 0.0082 160 ILE a C ? ? 1 +26404 O O A ILE U 150 0.2982 0.8193 0.8208 0.0677 0.0254 0.0069 160 ILE a O ? ? 1 +26405 O O B ILE U 150 0.2937 0.8144 0.8163 0.0671 0.0249 0.0069 160 ILE a O ? ? 1 +26406 C CB A ILE U 150 0.2994 0.8207 0.8143 0.0595 0.0273 0.0076 160 ILE a CB ? ? 1 +26407 C CB B ILE U 150 0.2960 0.8175 0.8111 0.0593 0.0272 0.0076 160 ILE a CB ? ? 1 +26408 C CG1 A ILE U 150 0.2994 0.8253 0.8141 0.0588 0.0309 0.0083 160 ILE a CG1 ? ? 1 +26409 C CG1 B ILE U 150 0.2963 0.8224 0.8113 0.0585 0.0306 0.0083 160 ILE a CG1 ? ? 1 +26410 C CG2 A ILE U 150 0.3137 0.8227 0.8168 0.0634 0.0278 0.0052 160 ILE a CG2 ? ? 1 +26411 C CG2 B ILE U 150 0.3103 0.8197 0.8138 0.0634 0.0278 0.0052 160 ILE a CG2 ? ? 1 +26412 C CD1 A ILE U 150 0.3027 0.8337 0.8200 0.0640 0.0366 0.0079 160 ILE a CD1 ? ? 1 +26413 C CD1 B ILE U 150 0.2995 0.8311 0.8174 0.0634 0.0362 0.0081 160 ILE a CD1 ? ? 1 +26414 N N A TYR U 151 0.2833 0.8089 0.8119 0.0576 0.0202 0.0092 161 TYR a N ? ? 1 +26415 N N B TYR U 151 0.2784 0.8043 0.8073 0.0571 0.0199 0.0093 161 TYR a N ? ? 1 +26416 C CA A TYR U 151 0.2842 0.8037 0.8112 0.0576 0.0169 0.0089 161 TYR a CA ? ? 1 +26417 C CA B TYR U 151 0.2793 0.7988 0.8063 0.0570 0.0166 0.0090 161 TYR a CA ? ? 1 +26418 C C A TYR U 151 0.2802 0.8063 0.8153 0.0621 0.0177 0.0095 161 TYR a C ? ? 1 +26419 C C B TYR U 151 0.2752 0.8011 0.8101 0.0616 0.0175 0.0095 161 TYR a C ? ? 1 +26420 O O A TYR U 151 0.2875 0.8070 0.8183 0.0661 0.0173 0.0085 161 TYR a O ? ? 1 +26421 O O B TYR U 151 0.2829 0.8019 0.8131 0.0657 0.0172 0.0084 161 TYR a O ? ? 1 +26422 C CB A TYR U 151 0.2769 0.7957 0.8055 0.0510 0.0127 0.0099 161 TYR a CB ? ? 1 +26423 C CB B TYR U 151 0.2722 0.7908 0.8006 0.0504 0.0124 0.0100 161 TYR a CB ? ? 1 +26424 C CG A TYR U 151 0.2808 0.7907 0.8050 0.0506 0.0098 0.0093 161 TYR a CG ? ? 1 +26425 C CG B TYR U 151 0.2761 0.7859 0.8002 0.0501 0.0096 0.0094 161 TYR a CG ? ? 1 +26426 C CD1 A TYR U 151 0.2932 0.7900 0.8058 0.0515 0.0093 0.0074 161 TYR a CD1 ? ? 1 +26427 C CD1 B TYR U 151 0.2888 0.7856 0.8014 0.0512 0.0093 0.0074 161 TYR a CD1 ? ? 1 +26428 C CD2 A TYR U 151 0.2731 0.7872 0.8045 0.0497 0.0078 0.0107 161 TYR a CD2 ? ? 1 +26429 C CD2 B TYR U 151 0.2685 0.7825 0.7997 0.0491 0.0076 0.0108 161 TYR a CD2 ? ? 1 +26430 C CE1 A TYR U 151 0.2984 0.7863 0.8065 0.0511 0.0071 0.0069 161 TYR a CE1 ? ? 1 +26431 C CE1 B TYR U 151 0.2941 0.7820 0.8022 0.0511 0.0071 0.0069 161 TYR a CE1 ? ? 1 +26432 C CE2 A TYR U 151 0.2782 0.7835 0.8049 0.0495 0.0055 0.0103 161 TYR a CE2 ? ? 1 +26433 C CE2 B TYR U 151 0.2736 0.7787 0.8002 0.0490 0.0054 0.0103 161 TYR a CE2 ? ? 1 +26434 C CZ A TYR U 151 0.2909 0.7829 0.8060 0.0501 0.0053 0.0085 161 TYR a CZ ? ? 1 +26435 C CZ B TYR U 151 0.2866 0.7786 0.8016 0.0499 0.0052 0.0084 161 TYR a CZ ? ? 1 +26436 O OH A TYR U 151 0.2975 0.7798 0.8073 0.0498 0.0034 0.0081 161 TYR a OH ? ? 1 +26437 O OH B TYR U 151 0.2935 0.7757 0.8031 0.0498 0.0034 0.0080 161 TYR a OH ? ? 1 +26438 N N A PRO U 152 0.2692 0.8084 0.8162 0.0617 0.0186 0.0110 162 PRO a N ? ? 1 +26439 N N B PRO U 152 0.2639 0.8028 0.8107 0.0614 0.0184 0.0110 162 PRO a N ? ? 1 +26440 C CA A PRO U 152 0.2665 0.8133 0.8217 0.0667 0.0197 0.0111 162 PRO a CA ? ? 1 +26441 C CA B PRO U 152 0.2612 0.8074 0.8159 0.0664 0.0195 0.0112 162 PRO a CA ? ? 1 +26442 C C A PRO U 152 0.2764 0.8205 0.8277 0.0737 0.0230 0.0094 162 PRO a C ? ? 1 +26443 C C B PRO U 152 0.2703 0.8143 0.8216 0.0734 0.0228 0.0094 162 PRO a C ? ? 1 +26444 O O A PRO U 152 0.2794 0.8223 0.8314 0.0784 0.0224 0.0088 162 PRO a O ? ? 1 +26445 O O B PRO U 152 0.2734 0.8160 0.8252 0.0781 0.0221 0.0089 162 PRO a O ? ? 1 +26446 C CB A PRO U 152 0.2546 0.8154 0.8217 0.0645 0.0213 0.0126 162 PRO a CB ? ? 1 +26447 C CB B PRO U 152 0.2493 0.8097 0.8161 0.0643 0.0210 0.0126 162 PRO a CB ? ? 1 +26448 C CG A PRO U 152 0.2492 0.8090 0.8154 0.0577 0.0189 0.0138 162 PRO a CG ? ? 1 +26449 C CG B PRO U 152 0.2436 0.8031 0.8099 0.0575 0.0185 0.0139 162 PRO a CG ? ? 1 +26450 C CD A PRO U 152 0.2594 0.8066 0.8127 0.0565 0.0183 0.0126 162 PRO a CD ? ? 1 +26451 C CD B PRO U 152 0.2538 0.8009 0.8072 0.0561 0.0180 0.0127 162 PRO a CD ? ? 1 +26452 N N A ILE U 153 0.2822 0.8254 0.8292 0.0745 0.0266 0.0085 163 ILE a N ? ? 1 +26453 N N B ILE U 153 0.2755 0.8191 0.8230 0.0744 0.0265 0.0086 163 ILE a N ? ? 1 +26454 C CA A ILE U 153 0.2919 0.8334 0.8356 0.0812 0.0303 0.0068 163 ILE a CA ? ? 1 +26455 C CA B ILE U 153 0.2848 0.8268 0.8290 0.0810 0.0302 0.0069 163 ILE a CA ? ? 1 +26456 C C A ILE U 153 0.3044 0.8319 0.8367 0.0845 0.0287 0.0052 163 ILE a C ? ? 1 +26457 C C B ILE U 153 0.2971 0.8250 0.8300 0.0843 0.0286 0.0053 163 ILE a C ? ? 1 +26458 O O A ILE U 153 0.3098 0.8365 0.8422 0.0907 0.0297 0.0042 163 ILE a O ? ? 1 +26459 O O B ILE U 153 0.3026 0.8299 0.8356 0.0906 0.0297 0.0043 163 ILE a O ? ? 1 +26460 C CB A ILE U 153 0.2961 0.8384 0.8363 0.0811 0.0347 0.0062 163 ILE a CB ? ? 1 +26461 C CB B ILE U 153 0.2890 0.8317 0.8296 0.0808 0.0346 0.0063 163 ILE a CB ? ? 1 +26462 C CG1 A ILE U 153 0.2854 0.8423 0.8377 0.0794 0.0375 0.0076 163 ILE a CG1 ? ? 1 +26463 C CG1 B ILE U 153 0.2787 0.8362 0.8317 0.0797 0.0376 0.0076 163 ILE a CG1 ? ? 1 +26464 C CG2 A ILE U 153 0.3087 0.8455 0.8421 0.0878 0.0383 0.0041 163 ILE a CG2 ? ? 1 +26465 C CG2 B ILE U 153 0.3023 0.8383 0.8349 0.0873 0.0380 0.0041 163 ILE a CG2 ? ? 1 +26466 C CD1 A ILE U 153 0.2896 0.8470 0.8382 0.0788 0.0420 0.0074 163 ILE a CD1 ? ? 1 +26467 C CD1 B ILE U 153 0.2826 0.8410 0.8323 0.0791 0.0421 0.0074 163 ILE a CD1 ? ? 1 +26468 N N A GLY U 154 0.3094 0.8257 0.8319 0.0802 0.0262 0.0050 164 GLY a N ? ? 1 +26469 N N B GLY U 154 0.3016 0.8184 0.8247 0.0801 0.0260 0.0051 164 GLY a N ? ? 1 +26470 C CA A GLY U 154 0.3218 0.8235 0.8326 0.0821 0.0246 0.0034 164 GLY a CA ? ? 1 +26471 C CA B GLY U 154 0.3139 0.8162 0.8253 0.0822 0.0245 0.0035 164 GLY a CA ? ? 1 +26472 C C A GLY U 154 0.3211 0.8207 0.8340 0.0838 0.0216 0.0039 164 GLY a C ? ? 1 +26473 C C B GLY U 154 0.3129 0.8128 0.8262 0.0838 0.0214 0.0040 164 GLY a C ? ? 1 +26474 O O A GLY U 154 0.3315 0.8226 0.8378 0.0889 0.0217 0.0027 164 GLY a O ? ? 1 +26475 O O B GLY U 154 0.3235 0.8148 0.8302 0.0888 0.0216 0.0028 164 GLY a O ? ? 1 +26476 N N A GLN U 155 0.3096 0.8166 0.8312 0.0798 0.0190 0.0058 165 GLN a N ? ? 1 +26477 N N B GLN U 155 0.3014 0.8084 0.8232 0.0797 0.0188 0.0059 165 GLN a N ? ? 1 +26478 C CA A GLN U 155 0.3090 0.8138 0.8323 0.0807 0.0159 0.0066 165 GLN a CA ? ? 1 +26479 C CA B GLN U 155 0.3006 0.8051 0.8238 0.0804 0.0157 0.0066 165 GLN a CA ? ? 1 +26480 C C A GLN U 155 0.3044 0.8204 0.8382 0.0860 0.0167 0.0071 165 GLN a C ? ? 1 +26481 C C B GLN U 155 0.2960 0.8112 0.8293 0.0858 0.0164 0.0071 165 GLN a C ? ? 1 +26482 O O A GLN U 155 0.3052 0.8193 0.8398 0.0883 0.0144 0.0075 165 GLN a O ? ? 1 +26483 O O B GLN U 155 0.2971 0.8099 0.8309 0.0881 0.0141 0.0075 165 GLN a O ? ? 1 +26484 C CB A GLN U 155 0.2998 0.8059 0.8262 0.0733 0.0125 0.0082 165 GLN a CB ? ? 1 +26485 C CB B GLN U 155 0.2915 0.7973 0.8178 0.0731 0.0124 0.0082 165 GLN a CB ? ? 1 +26486 C CG A GLN U 155 0.3047 0.8008 0.8219 0.0678 0.0113 0.0075 165 GLN a CG ? ? 1 +26487 C CG B GLN U 155 0.2966 0.7923 0.8136 0.0675 0.0112 0.0075 165 GLN a CG ? ? 1 +26488 C CD A GLN U 155 0.3187 0.7992 0.8235 0.0696 0.0106 0.0059 165 GLN a CD ? ? 1 +26489 C CD B GLN U 155 0.3109 0.7911 0.8154 0.0696 0.0106 0.0058 165 GLN a CD ? ? 1 +26490 O OE1 A GLN U 155 0.3217 0.7966 0.8247 0.0702 0.0086 0.0063 165 GLN a OE1 ? ? 1 +26491 O OE1 B GLN U 155 0.3144 0.7887 0.8168 0.0705 0.0087 0.0062 165 GLN a OE1 ? ? 1 +26492 N NE2 A GLN U 155 0.3286 0.8012 0.8241 0.0706 0.0122 0.0040 165 GLN a NE2 ? ? 1 +26493 N NE2 B GLN U 155 0.3207 0.7932 0.8161 0.0705 0.0122 0.0040 165 GLN a NE2 ? ? 1 +26494 N N A GLY U 156 0.3006 0.8281 0.8422 0.0878 0.0200 0.0069 166 GLY a N ? ? 1 +26495 N N B GLY U 156 0.2914 0.8184 0.8329 0.0877 0.0196 0.0070 166 GLY a N ? ? 1 +26496 C CA A GLY U 156 0.2980 0.8364 0.8494 0.0935 0.0214 0.0068 166 GLY a CA ? ? 1 +26497 C CA B GLY U 156 0.2887 0.8263 0.8398 0.0936 0.0209 0.0068 166 GLY a CA ? ? 1 +26498 C C A GLY U 156 0.2855 0.8365 0.8498 0.0910 0.0194 0.0085 166 GLY a C ? ? 1 +26499 C C B GLY U 156 0.2755 0.8264 0.8399 0.0910 0.0192 0.0085 166 GLY a C ? ? 1 +26500 O O A GLY U 156 0.2831 0.8418 0.8550 0.0957 0.0191 0.0083 166 GLY a O ? ? 1 +26501 O O B GLY U 156 0.2728 0.8322 0.8453 0.0957 0.0193 0.0083 166 GLY a O ? ? 1 +26502 N N A SER U 157 0.2787 0.8320 0.8454 0.0839 0.0179 0.0100 167 SER a N ? ? 1 +26503 N N B SER U 157 0.2683 0.8211 0.8348 0.0838 0.0176 0.0100 167 SER a N ? ? 1 +26504 C CA A SER U 157 0.2670 0.8318 0.8454 0.0810 0.0161 0.0115 167 SER a CA ? ? 1 +26505 C CA B SER U 157 0.2560 0.8205 0.8343 0.0810 0.0158 0.0116 167 SER a CA ? ? 1 +26506 C C A SER U 157 0.2604 0.8282 0.8411 0.0734 0.0156 0.0130 167 SER a C ? ? 1 +26507 C C B SER U 157 0.2490 0.8165 0.8295 0.0734 0.0154 0.0130 167 SER a C ? ? 1 +26508 O O A SER U 157 0.2634 0.8221 0.8363 0.0692 0.0139 0.0132 167 SER a O ? ? 1 +26509 O O B SER U 157 0.2521 0.8104 0.8246 0.0693 0.0139 0.0132 167 SER a O ? ? 1 +26510 C CB A SER U 157 0.2667 0.8275 0.8445 0.0819 0.0120 0.0122 167 SER a CB ? ? 1 +26511 C CB B SER U 157 0.2554 0.8160 0.8332 0.0818 0.0118 0.0122 167 SER a CB ? ? 1 +26512 O OG A SER U 157 0.2543 0.8263 0.8433 0.0796 0.0103 0.0135 167 SER a OG ? ? 1 +26513 O OG B SER U 157 0.2429 0.8148 0.8320 0.0795 0.0101 0.0136 167 SER a OG ? ? 1 +26514 N N A PHE U 158 0.2522 0.8332 0.8442 0.0718 0.0169 0.0138 168 PHE a N ? ? 1 +26515 N N B PHE U 158 0.2399 0.8206 0.8318 0.0718 0.0166 0.0138 168 PHE a N ? ? 1 +26516 C CA A PHE U 158 0.2449 0.8300 0.8405 0.0650 0.0162 0.0153 168 PHE a CA ? ? 1 +26517 C CA B PHE U 158 0.2322 0.8169 0.8275 0.0650 0.0160 0.0153 168 PHE a CA ? ? 1 +26518 C C A PHE U 158 0.2421 0.8246 0.8381 0.0611 0.0118 0.0166 168 PHE a C ? ? 1 +26519 C C B PHE U 158 0.2285 0.8109 0.8245 0.0609 0.0116 0.0166 168 PHE a C ? ? 1 +26520 O O A PHE U 158 0.2368 0.8202 0.8338 0.0554 0.0106 0.0177 168 PHE a O ? ? 1 +26521 O O B PHE U 158 0.2232 0.8065 0.8201 0.0553 0.0105 0.0178 168 PHE a O ? ? 1 +26522 C CB A PHE U 158 0.2355 0.8348 0.8430 0.0645 0.0188 0.0158 168 PHE a CB ? ? 1 +26523 C CB B PHE U 158 0.2227 0.8217 0.8300 0.0645 0.0186 0.0159 168 PHE a CB ? ? 1 +26524 C CG A PHE U 158 0.2394 0.8408 0.8458 0.0665 0.0237 0.0149 168 PHE a CG ? ? 1 +26525 C CG B PHE U 158 0.2266 0.8279 0.8330 0.0664 0.0236 0.0150 168 PHE a CG ? ? 1 +26526 C CD1 A PHE U 158 0.2427 0.8382 0.8414 0.0633 0.0252 0.0151 168 PHE a CD1 ? ? 1 +26527 C CD1 B PHE U 158 0.2297 0.8253 0.8286 0.0631 0.0251 0.0152 168 PHE a CD1 ? ? 1 +26528 C CD2 A PHE U 158 0.2403 0.8495 0.8530 0.0718 0.0269 0.0137 168 PHE a CD2 ? ? 1 +26529 C CD2 B PHE U 158 0.2274 0.8366 0.8402 0.0717 0.0267 0.0138 168 PHE a CD2 ? ? 1 +26530 C CE1 A PHE U 158 0.2478 0.8444 0.8445 0.0652 0.0299 0.0143 168 PHE a CE1 ? ? 1 +26531 C CE1 B PHE U 158 0.2347 0.8317 0.8318 0.0650 0.0298 0.0144 168 PHE a CE1 ? ? 1 +26532 C CE2 A PHE U 158 0.2447 0.8555 0.8561 0.0735 0.0318 0.0129 168 PHE a CE2 ? ? 1 +26533 C CE2 B PHE U 158 0.2318 0.8428 0.8435 0.0734 0.0317 0.0129 168 PHE a CE2 ? ? 1 +26534 C CZ A PHE U 158 0.2489 0.8532 0.8520 0.0703 0.0334 0.0132 168 PHE a CZ ? ? 1 +26535 C CZ B PHE U 158 0.2359 0.8405 0.8394 0.0701 0.0333 0.0133 168 PHE a CZ ? ? 1 +26536 N N A SER U 159 0.2479 0.8269 0.8428 0.0643 0.0094 0.0163 169 SER a N ? ? 1 +26537 N N B SER U 159 0.2329 0.8121 0.8281 0.0640 0.0092 0.0165 169 SER a N ? ? 1 +26538 C CA A SER U 159 0.2471 0.8227 0.8414 0.0611 0.0056 0.0175 169 SER a CA ? ? 1 +26539 C CA B SER U 159 0.2319 0.8072 0.8261 0.0607 0.0054 0.0176 169 SER a CA ? ? 1 +26540 C C A SER U 159 0.2568 0.8199 0.8405 0.0571 0.0042 0.0174 169 SER a C ? ? 1 +26541 C C B SER U 159 0.2408 0.8037 0.8244 0.0567 0.0041 0.0175 169 SER a C ? ? 1 +26542 O O A SER U 159 0.2538 0.8141 0.8370 0.0530 0.0014 0.0184 169 SER a O ? ? 1 +26543 O O B SER U 159 0.2382 0.7981 0.8211 0.0526 0.0013 0.0184 169 SER a O ? ? 1 +26544 C CB A SER U 159 0.2502 0.8241 0.8448 0.0662 0.0036 0.0172 169 SER a CB ? ? 1 +26545 C CB B SER U 159 0.2352 0.8082 0.8291 0.0658 0.0034 0.0173 169 SER a CB ? ? 1 +26546 O OG A SER U 159 0.2625 0.8245 0.8464 0.0700 0.0040 0.0160 169 SER a OG ? ? 1 +26547 O OG B SER U 159 0.2476 0.8082 0.8304 0.0692 0.0038 0.0161 169 SER a OG ? ? 1 +26548 N N A ASP U 160 0.2703 0.8258 0.8455 0.0584 0.0061 0.0161 170 ASP a N ? ? 1 +26549 N N B ASP U 160 0.2535 0.8091 0.8288 0.0581 0.0060 0.0162 170 ASP a N ? ? 1 +26550 C CA A ASP U 160 0.2798 0.8243 0.8454 0.0543 0.0049 0.0157 170 ASP a CA ? ? 1 +26551 C CA B ASP U 160 0.2627 0.8071 0.8282 0.0542 0.0050 0.0157 170 ASP a CA ? ? 1 +26552 C C A ASP U 160 0.2744 0.8213 0.8395 0.0507 0.0065 0.0157 170 ASP a C ? ? 1 +26553 C C B ASP U 160 0.2573 0.8046 0.8228 0.0502 0.0063 0.0158 170 ASP a C ? ? 1 +26554 O O A ASP U 160 0.2815 0.8196 0.8381 0.0481 0.0060 0.0148 170 ASP a O ? ? 1 +26555 O O B ASP U 160 0.2623 0.8015 0.8202 0.0468 0.0054 0.0151 170 ASP a O ? ? 1 +26556 C CB A ASP U 160 0.2998 0.8313 0.8542 0.0581 0.0052 0.0141 170 ASP a CB ? ? 1 +26557 C CB B ASP U 160 0.2819 0.8140 0.8364 0.0585 0.0056 0.0140 170 ASP a CB ? ? 1 +26558 C CG A ASP U 160 0.3107 0.8338 0.8608 0.0565 0.0021 0.0146 170 ASP a CG ? ? 1 +26559 C CG B ASP U 160 0.2935 0.8176 0.8438 0.0603 0.0033 0.0141 170 ASP a CG ? ? 1 +26560 O OD1 A ASP U 160 0.3196 0.8472 0.8753 0.0581 0.0008 0.0156 170 ASP a OD1 ? ? 1 +26561 O OD1 B ASP U 160 0.3094 0.8235 0.8510 0.0644 0.0039 0.0128 170 ASP a OD1 ? ? 1 +26562 O OD2 A ASP U 160 0.3248 0.8371 0.8661 0.0531 0.0011 0.0139 170 ASP a OD2 ? ? 1 +26563 O OD2 B ASP U 160 0.3049 0.8321 0.8600 0.0575 0.0009 0.0155 170 ASP a OD2 ? ? 1 +26564 N N A GLY U 161 0.2616 0.8202 0.8358 0.0502 0.0082 0.0165 171 GLY a N ? ? 1 +26565 N N B GLY U 161 0.2462 0.8051 0.8205 0.0503 0.0083 0.0165 171 GLY a N ? ? 1 +26566 C CA A GLY U 161 0.2545 0.8162 0.8294 0.0459 0.0091 0.0171 171 GLY a CA ? ? 1 +26567 C CA B GLY U 161 0.2393 0.8018 0.8149 0.0458 0.0091 0.0172 171 GLY a CA ? ? 1 +26568 C C A GLY U 161 0.2438 0.8062 0.8210 0.0399 0.0058 0.0183 171 GLY a C ? ? 1 +26569 C C B GLY U 161 0.2294 0.7927 0.8074 0.0398 0.0058 0.0184 171 GLY a C ? ? 1 +26570 O O A GLY U 161 0.2392 0.8022 0.8197 0.0392 0.0034 0.0190 171 GLY a O ? ? 1 +26571 O O B GLY U 161 0.2243 0.7888 0.8062 0.0391 0.0035 0.0191 171 GLY a O ? ? 1 +26572 N N A MET U 162 0.2391 0.8012 0.8143 0.0358 0.0056 0.0185 172 MET a N ? ? 1 +26573 N N B MET U 162 0.2260 0.7885 0.8016 0.0357 0.0056 0.0186 172 MET a N ? ? 1 +26574 C CA A MET U 162 0.2301 0.7928 0.8074 0.0303 0.0026 0.0195 172 MET a CA ? ? 1 +26575 C CA B MET U 162 0.2177 0.7808 0.7954 0.0301 0.0025 0.0196 172 MET a CA ? ? 1 +26576 C C A MET U 162 0.2170 0.7911 0.8056 0.0290 0.0025 0.0212 172 MET a C ? ? 1 +26577 C C B MET U 162 0.2050 0.7795 0.7940 0.0288 0.0024 0.0213 172 MET a C ? ? 1 +26578 O O A MET U 162 0.2135 0.7951 0.8071 0.0300 0.0050 0.0218 172 MET a O ? ? 1 +26579 O O B MET U 162 0.2012 0.7831 0.7951 0.0296 0.0049 0.0219 172 MET a O ? ? 1 +26580 C CB A MET U 162 0.2314 0.7909 0.8034 0.0267 0.0021 0.0191 172 MET a CB ? ? 1 +26581 C CB B MET U 162 0.2192 0.7791 0.7916 0.0267 0.0022 0.0192 172 MET a CB ? ? 1 +26582 C CG A MET U 162 0.2253 0.7847 0.7990 0.0212 -0.0014 0.0197 172 MET a CG ? ? 1 +26583 C CG B MET U 162 0.2138 0.7732 0.7874 0.0211 -0.0014 0.0197 172 MET a CG ? ? 1 +26584 S SD A MET U 162 0.2267 0.7832 0.7948 0.0175 -0.0024 0.0191 172 MET a SD ? ? 1 +26585 S SD B MET U 162 0.2157 0.7721 0.7836 0.0175 -0.0024 0.0191 172 MET a SD ? ? 1 +26586 C CE A MET U 162 0.2159 0.7839 0.7931 0.0162 -0.0011 0.0213 172 MET a CE ? ? 1 +26587 C CE B MET U 162 0.2052 0.7730 0.7821 0.0162 -0.0011 0.0212 172 MET a CE ? ? 1 +26588 N N A PRO U 163 0.2093 0.7847 0.8019 0.0267 -0.0002 0.0221 173 PRO a N ? ? 1 +26589 N N B PRO U 163 0.1981 0.7740 0.7913 0.0267 -0.0002 0.0221 173 PRO a N ? ? 1 +26590 C CA A PRO U 163 0.1976 0.7832 0.8004 0.0251 -0.0006 0.0236 173 PRO a CA ? ? 1 +26591 C CA B PRO U 163 0.1869 0.7730 0.7902 0.0251 -0.0006 0.0237 173 PRO a CA ? ? 1 +26592 C C A PRO U 163 0.1918 0.7815 0.7969 0.0211 -0.0004 0.0245 173 PRO a C ? ? 1 +26593 C C B PRO U 163 0.1817 0.7718 0.7872 0.0209 -0.0005 0.0245 173 PRO a C ? ? 1 +26594 O O A PRO U 163 0.1958 0.7802 0.7949 0.0186 -0.0013 0.0240 173 PRO a O ? ? 1 +26595 O O B PRO U 163 0.1859 0.7703 0.7852 0.0184 -0.0015 0.0241 173 PRO a O ? ? 1 +26596 C CB A PRO U 163 0.1954 0.7784 0.7991 0.0234 -0.0037 0.0240 173 PRO a CB ? ? 1 +26597 C CB B PRO U 163 0.1845 0.7683 0.7888 0.0235 -0.0036 0.0241 173 PRO a CB ? ? 1 +26598 C CG A PRO U 163 0.2057 0.7779 0.8004 0.0256 -0.0041 0.0227 173 PRO a CG ? ? 1 +26599 C CG B PRO U 163 0.1945 0.7674 0.7898 0.0255 -0.0042 0.0228 173 PRO a CG ? ? 1 +26600 C CD A PRO U 163 0.2131 0.7799 0.8004 0.0257 -0.0028 0.0215 173 PRO a CD ? ? 1 +26601 C CD B PRO U 163 0.2021 0.7695 0.7900 0.0258 -0.0027 0.0216 173 PRO a CD ? ? 1 +26602 N N A LEU U 164 0.1828 0.7822 0.7967 0.0205 0.0006 0.0257 174 LEU a N ? ? 1 +26603 N N B LEU U 164 0.1733 0.7730 0.7875 0.0203 0.0005 0.0258 174 LEU a N ? ? 1 +26604 C CA A LEU U 164 0.1770 0.7804 0.7933 0.0170 0.0009 0.0267 174 LEU a CA ? ? 1 +26605 C CA B LEU U 164 0.1683 0.7717 0.7847 0.0167 0.0007 0.0268 174 LEU a CA ? ? 1 +26606 C C A LEU U 164 0.1688 0.7739 0.7889 0.0130 -0.0023 0.0277 174 LEU a C ? ? 1 +26607 C C B LEU U 164 0.1607 0.7657 0.7808 0.0127 -0.0025 0.0277 174 LEU a C ? ? 1 +26608 O O A LEU U 164 0.1613 0.7738 0.7893 0.0119 -0.0024 0.0288 174 LEU a O ? ? 1 +26609 O O B LEU U 164 0.1531 0.7655 0.7809 0.0113 -0.0025 0.0289 174 LEU a O ? ? 1 +26610 C CB A LEU U 164 0.1733 0.7856 0.7965 0.0182 0.0041 0.0274 174 LEU a CB ? ? 1 +26611 C CB B LEU U 164 0.1645 0.7767 0.7877 0.0179 0.0039 0.0275 174 LEU a CB ? ? 1 +26612 C CG A LEU U 164 0.1802 0.7924 0.8015 0.0227 0.0077 0.0264 174 LEU a CG ? ? 1 +26613 C CG B LEU U 164 0.1716 0.7836 0.7926 0.0223 0.0075 0.0265 174 LEU a CG ? ? 1 +26614 C CD1 A LEU U 164 0.1764 0.7979 0.8051 0.0230 0.0112 0.0271 174 LEU a CD1 ? ? 1 +26615 C CD1 B LEU U 164 0.1680 0.7889 0.7962 0.0227 0.0111 0.0272 174 LEU a CD1 ? ? 1 +26616 C CD2 A LEU U 164 0.1897 0.7934 0.8005 0.0233 0.0086 0.0255 174 LEU a CD2 ? ? 1 +26617 C CD2 B LEU U 164 0.1810 0.7843 0.7915 0.0228 0.0083 0.0255 174 LEU a CD2 ? ? 1 +26618 N N A GLY U 165 0.1705 0.7686 0.7850 0.0107 -0.0048 0.0271 175 GLY a N ? ? 1 +26619 N N B GLY U 165 0.1631 0.7610 0.7777 0.0106 -0.0050 0.0271 175 GLY a N ? ? 1 +26620 C CA A GLY U 165 0.1635 0.7626 0.7811 0.0069 -0.0076 0.0278 175 GLY a CA ? ? 1 +26621 C CA B GLY U 165 0.1570 0.7557 0.7744 0.0068 -0.0078 0.0277 175 GLY a CA ? ? 1 +26622 C C A GLY U 165 0.1672 0.7584 0.7781 0.0043 -0.0099 0.0267 175 GLY a C ? ? 1 +26623 C C B GLY U 165 0.1612 0.7521 0.7718 0.0041 -0.0100 0.0267 175 GLY a C ? ? 1 +26624 O O A GLY U 165 0.1754 0.7594 0.7791 0.0059 -0.0096 0.0253 175 GLY a O ? ? 1 +26625 O O B GLY U 165 0.1693 0.7532 0.7727 0.0056 -0.0096 0.0253 175 GLY a O ? ? 1 +26626 N N A ILE U 166 0.1611 0.7538 0.7747 0.0004 -0.0121 0.0272 176 ILE a N ? ? 1 +26627 N N B ILE U 166 0.1558 0.7483 0.7692 0.0002 -0.0122 0.0271 176 ILE a N ? ? 1 +26628 C CA A ILE U 166 0.1638 0.7505 0.7724 -0.0026 -0.0143 0.0260 176 ILE a CA ? ? 1 +26629 C CA B ILE U 166 0.1588 0.7454 0.7673 -0.0028 -0.0144 0.0260 176 ILE a CA ? ? 1 +26630 C C A ILE U 166 0.1691 0.7484 0.7734 -0.0023 -0.0150 0.0250 176 ILE a C ? ? 1 +26631 C C B ILE U 166 0.1643 0.7435 0.7684 -0.0024 -0.0151 0.0249 176 ILE a C ? ? 1 +26632 O O A ILE U 166 0.1769 0.7488 0.7739 -0.0022 -0.0152 0.0234 176 ILE a O ? ? 1 +26633 O O B ILE U 166 0.1723 0.7441 0.7691 -0.0021 -0.0152 0.0234 176 ILE a O ? ? 1 +26634 C CB A ILE U 166 0.1559 0.7473 0.7697 -0.0066 -0.0163 0.0268 176 ILE a CB ? ? 1 +26635 C CB B ILE U 166 0.1512 0.7425 0.7650 -0.0068 -0.0165 0.0267 176 ILE a CB ? ? 1 +26636 C CG1 A ILE U 166 0.1533 0.7490 0.7682 -0.0068 -0.0158 0.0275 176 ILE a CG1 ? ? 1 +26637 C CG1 B ILE U 166 0.1486 0.7443 0.7637 -0.0072 -0.0160 0.0275 176 ILE a CG1 ? ? 1 +26638 C CG2 A ILE U 166 0.1585 0.7451 0.7695 -0.0100 -0.0187 0.0255 176 ILE a CG2 ? ? 1 +26639 C CG2 B ILE U 166 0.1541 0.7404 0.7649 -0.0103 -0.0189 0.0254 176 ILE a CG2 ? ? 1 +26640 C CD1 A ILE U 166 0.1458 0.7472 0.7666 -0.0096 -0.0172 0.0286 176 ILE a CD1 ? ? 1 +26641 C CD1 B ILE U 166 0.1409 0.7427 0.7624 -0.0097 -0.0172 0.0287 176 ILE a CD1 ? ? 1 +26642 N N A SER U 167 0.1656 0.7464 0.7736 -0.0021 -0.0153 0.0258 177 SER a N ? ? 1 +26643 N N B SER U 167 0.1609 0.7418 0.7690 -0.0023 -0.0154 0.0258 177 SER a N ? ? 1 +26644 C CA A SER U 167 0.1716 0.7448 0.7751 -0.0017 -0.0158 0.0251 177 SER a CA ? ? 1 +26645 C CA B SER U 167 0.1668 0.7404 0.7707 -0.0018 -0.0158 0.0251 177 SER a CA ? ? 1 +26646 C C A SER U 167 0.1790 0.7478 0.7776 0.0032 -0.0140 0.0244 177 SER a C ? ? 1 +26647 C C B SER U 167 0.1749 0.7436 0.7735 0.0029 -0.0141 0.0244 177 SER a C ? ? 1 +26648 O O A SER U 167 0.1876 0.7477 0.7796 0.0038 -0.0142 0.0234 177 SER a O ? ? 1 +26649 O O B SER U 167 0.1838 0.7436 0.7755 0.0032 -0.0143 0.0233 177 SER a O ? ? 1 +26650 C CB A SER U 167 0.1663 0.7421 0.7747 -0.0026 -0.0166 0.0262 177 SER a CB ? ? 1 +26651 C CB B SER U 167 0.1612 0.7378 0.7702 -0.0025 -0.0165 0.0263 177 SER a CB ? ? 1 +26652 O OG A SER U 167 0.1608 0.7396 0.7729 -0.0071 -0.0181 0.0265 177 SER a OG ? ? 1 +26653 O OG B SER U 167 0.1568 0.7352 0.7686 -0.0071 -0.0181 0.0265 177 SER a OG ? ? 1 +26654 N N A GLY U 168 0.1762 0.7510 0.7784 0.0066 -0.0123 0.0250 178 GLY a N ? ? 1 +26655 N N B GLY U 168 0.1728 0.7470 0.7746 0.0065 -0.0123 0.0250 178 GLY a N ? ? 1 +26656 C CA A GLY U 168 0.1828 0.7545 0.7811 0.0115 -0.0104 0.0243 178 GLY a CA ? ? 1 +26657 C CA B GLY U 168 0.1799 0.7505 0.7774 0.0113 -0.0105 0.0242 178 GLY a CA ? ? 1 +26658 C C A GLY U 168 0.1911 0.7553 0.7808 0.0117 -0.0098 0.0227 178 GLY a C ? ? 1 +26659 C C B GLY U 168 0.1884 0.7519 0.7775 0.0116 -0.0099 0.0226 178 GLY a C ? ? 1 +26660 O O A GLY U 168 0.1996 0.7566 0.7829 0.0146 -0.0090 0.0216 178 GLY a O ? ? 1 +26661 O O B GLY U 168 0.1968 0.7530 0.7795 0.0145 -0.0091 0.0215 178 GLY a O ? ? 1 +26662 N N A THR U 169 0.1890 0.7549 0.7785 0.0087 -0.0102 0.0226 179 THR a N ? ? 1 +26663 N N B THR U 169 0.1864 0.7520 0.7756 0.0087 -0.0102 0.0225 179 THR a N ? ? 1 +26664 C CA A THR U 169 0.1969 0.7558 0.7782 0.0083 -0.0102 0.0210 179 THR a CA ? ? 1 +26665 C CA B THR U 169 0.1945 0.7532 0.7756 0.0082 -0.0102 0.0209 179 THR a CA ? ? 1 +26666 C C A THR U 169 0.2038 0.7530 0.7786 0.0062 -0.0120 0.0195 179 THR a C ? ? 1 +26667 C C B THR U 169 0.2011 0.7503 0.7759 0.0061 -0.0121 0.0195 179 THR a C ? ? 1 +26668 O O A THR U 169 0.2136 0.7547 0.7805 0.0079 -0.0114 0.0180 179 THR a O ? ? 1 +26669 O O B THR U 169 0.2109 0.7519 0.7777 0.0075 -0.0116 0.0179 179 THR a O ? ? 1 +26670 C CB A THR U 169 0.1935 0.7562 0.7760 0.0052 -0.0110 0.0212 179 THR a CB ? ? 1 +26671 C CB B THR U 169 0.1913 0.7539 0.7736 0.0054 -0.0109 0.0211 179 THR a CB ? ? 1 +26672 O OG1 A THR U 169 0.1877 0.7585 0.7755 0.0070 -0.0090 0.0225 179 THR a OG1 ? ? 1 +26673 O OG1 B THR U 169 0.1849 0.7559 0.7730 0.0071 -0.0089 0.0226 179 THR a OG1 ? ? 1 +26674 C CG2 A THR U 169 0.2027 0.7582 0.7763 0.0049 -0.0114 0.0193 179 THR a CG2 ? ? 1 +26675 C CG2 B THR U 169 0.2007 0.7566 0.7743 0.0054 -0.0110 0.0194 179 THR a CG2 ? ? 1 +26676 N N A PHE U 170 0.1989 0.7488 0.7771 0.0025 -0.0139 0.0200 180 PHE a N ? ? 1 +26677 N N B PHE U 170 0.1959 0.7460 0.7743 0.0025 -0.0139 0.0200 180 PHE a N ? ? 1 +26678 C CA A PHE U 170 0.2057 0.7467 0.7784 0.0000 -0.0153 0.0186 180 PHE a CA ? ? 1 +26679 C CA B PHE U 170 0.2029 0.7441 0.7759 0.0000 -0.0153 0.0187 180 PHE a CA ? ? 1 +26680 C C A PHE U 170 0.2134 0.7472 0.7813 0.0036 -0.0141 0.0184 180 PHE a C ? ? 1 +26681 C C B PHE U 170 0.2102 0.7441 0.7783 0.0036 -0.0141 0.0185 180 PHE a C ? ? 1 +26682 O O A PHE U 170 0.2233 0.7472 0.7832 0.0035 -0.0142 0.0169 180 PHE a O ? ? 1 +26683 O O B PHE U 170 0.2203 0.7444 0.7805 0.0034 -0.0142 0.0169 180 PHE a O ? ? 1 +26684 C CB A PHE U 170 0.1992 0.7429 0.7770 -0.0048 -0.0172 0.0192 180 PHE a CB ? ? 1 +26685 C CB B PHE U 170 0.1964 0.7404 0.7745 -0.0049 -0.0172 0.0193 180 PHE a CB ? ? 1 +26686 C CG A PHE U 170 0.1912 0.7422 0.7741 -0.0081 -0.0185 0.0195 180 PHE a CG ? ? 1 +26687 C CG B PHE U 170 0.1887 0.7400 0.7719 -0.0081 -0.0185 0.0196 180 PHE a CG ? ? 1 +26688 C CD1 A PHE U 170 0.1940 0.7443 0.7735 -0.0085 -0.0191 0.0183 180 PHE a CD1 ? ? 1 +26689 C CD1 B PHE U 170 0.1916 0.7423 0.7714 -0.0085 -0.0190 0.0184 180 PHE a CD1 ? ? 1 +26690 C CD2 A PHE U 170 0.1816 0.7398 0.7723 -0.0104 -0.0194 0.0209 180 PHE a CD2 ? ? 1 +26691 C CD2 B PHE U 170 0.1790 0.7376 0.7701 -0.0104 -0.0194 0.0209 180 PHE a CD2 ? ? 1 +26692 C CE1 A PHE U 170 0.1879 0.7445 0.7716 -0.0110 -0.0205 0.0186 180 PHE a CE1 ? ? 1 +26693 C CE1 B PHE U 170 0.1856 0.7425 0.7695 -0.0109 -0.0204 0.0187 180 PHE a CE1 ? ? 1 +26694 C CE2 A PHE U 170 0.1754 0.7399 0.7705 -0.0130 -0.0207 0.0211 180 PHE a CE2 ? ? 1 +26695 C CE2 B PHE U 170 0.1730 0.7379 0.7684 -0.0129 -0.0207 0.0212 180 PHE a CE2 ? ? 1 +26696 C CZ A PHE U 170 0.1787 0.7423 0.7702 -0.0132 -0.0213 0.0200 180 PHE a CZ ? ? 1 +26697 C CZ B PHE U 170 0.1763 0.7403 0.7681 -0.0131 -0.0212 0.0201 180 PHE a CZ ? ? 1 +26698 N N A ASN U 171 0.2095 0.7481 0.7820 0.0071 -0.0131 0.0199 181 ASN a N ? ? 1 +26699 N N B ASN U 171 0.2063 0.7451 0.7791 0.0070 -0.0131 0.0200 181 ASN a N ? ? 1 +26700 C CA A ASN U 171 0.2166 0.7493 0.7849 0.0115 -0.0121 0.0198 181 ASN a CA ? ? 1 +26701 C CA B ASN U 171 0.2135 0.7463 0.7819 0.0115 -0.0121 0.0198 181 ASN a CA ? ? 1 +26702 C C A ASN U 171 0.2263 0.7531 0.7873 0.0152 -0.0105 0.0183 181 ASN a C ? ? 1 +26703 C C B ASN U 171 0.2230 0.7498 0.7840 0.0152 -0.0105 0.0183 181 ASN a C ? ? 1 +26704 O O A ASN U 171 0.2366 0.7533 0.7899 0.0170 -0.0103 0.0173 181 ASN a O ? ? 1 +26705 O O B ASN U 171 0.2335 0.7501 0.7866 0.0166 -0.0104 0.0172 181 ASN a O ? ? 1 +26706 C CB A ASN U 171 0.2098 0.7503 0.7851 0.0149 -0.0115 0.0214 181 ASN a CB ? ? 1 +26707 C CB B ASN U 171 0.2065 0.7472 0.7819 0.0151 -0.0115 0.0214 181 ASN a CB ? ? 1 +26708 C CG A ASN U 171 0.2168 0.7513 0.7880 0.0196 -0.0111 0.0213 181 ASN a CG ? ? 1 +26709 C CG B ASN U 171 0.2138 0.7485 0.7848 0.0200 -0.0109 0.0212 181 ASN a CG ? ? 1 +26710 O OD1 A ASN U 171 0.2202 0.7558 0.7909 0.0248 -0.0096 0.0210 181 ASN a OD1 ? ? 1 +26711 O OD1 B ASN U 171 0.2170 0.7533 0.7877 0.0250 -0.0093 0.0209 181 ASN a OD1 ? ? 1 +26712 N ND2 A ASN U 171 0.2204 0.7480 0.7881 0.0181 -0.0122 0.0216 181 ASN a ND2 ? ? 1 +26713 N ND2 B ASN U 171 0.2179 0.7454 0.7851 0.0187 -0.0119 0.0214 181 ASN a ND2 ? ? 1 +26714 N N A PHE U 172 0.2239 0.7566 0.7871 0.0165 -0.0093 0.0183 182 PHE a N ? ? 1 +26715 N N B PHE U 172 0.2204 0.7533 0.7837 0.0167 -0.0093 0.0183 182 PHE a N ? ? 1 +26716 C CA A PHE U 172 0.2328 0.7609 0.7895 0.0202 -0.0075 0.0169 182 PHE a CA ? ? 1 +26717 C CA B PHE U 172 0.2294 0.7573 0.7859 0.0201 -0.0075 0.0169 182 PHE a CA ? ? 1 +26718 C C A PHE U 172 0.2434 0.7607 0.7907 0.0176 -0.0085 0.0149 182 PHE a C ? ? 1 +26719 C C B PHE U 172 0.2399 0.7570 0.7871 0.0174 -0.0086 0.0149 182 PHE a C ? ? 1 +26720 O O A PHE U 172 0.2545 0.7627 0.7937 0.0205 -0.0076 0.0136 182 PHE a O ? ? 1 +26721 O O B PHE U 172 0.2512 0.7592 0.7904 0.0202 -0.0077 0.0136 182 PHE a O ? ? 1 +26722 C CB A PHE U 172 0.2270 0.7638 0.7881 0.0211 -0.0058 0.0174 182 PHE a CB ? ? 1 +26723 C CB B PHE U 172 0.2236 0.7599 0.7842 0.0208 -0.0059 0.0173 182 PHE a CB ? ? 1 +26724 C CG A PHE U 172 0.2350 0.7678 0.7895 0.0247 -0.0036 0.0161 182 PHE a CG ? ? 1 +26725 C CG B PHE U 172 0.2315 0.7638 0.7855 0.0245 -0.0036 0.0160 182 PHE a CG ? ? 1 +26726 C CD1 A PHE U 172 0.2381 0.7716 0.7926 0.0305 -0.0011 0.0159 182 PHE a CD1 ? ? 1 +26727 C CD1 B PHE U 172 0.2340 0.7677 0.7885 0.0302 -0.0011 0.0159 182 PHE a CD1 ? ? 1 +26728 C CD2 A PHE U 172 0.2397 0.7682 0.7881 0.0226 -0.0039 0.0148 182 PHE a CD2 ? ? 1 +26729 C CD2 B PHE U 172 0.2366 0.7640 0.7840 0.0223 -0.0041 0.0146 182 PHE a CD2 ? ? 1 +26730 C CE1 A PHE U 172 0.2461 0.7760 0.7945 0.0339 0.0013 0.0146 182 PHE a CE1 ? ? 1 +26731 C CE1 B PHE U 172 0.2418 0.7720 0.7903 0.0336 0.0013 0.0146 182 PHE a CE1 ? ? 1 +26732 C CE2 A PHE U 172 0.2481 0.7726 0.7899 0.0260 -0.0016 0.0136 182 PHE a CE2 ? ? 1 +26733 C CE2 B PHE U 172 0.2450 0.7684 0.7858 0.0258 -0.0018 0.0134 182 PHE a CE2 ? ? 1 +26734 C CZ A PHE U 172 0.2512 0.7764 0.7930 0.0316 0.0011 0.0135 182 PHE a CZ ? ? 1 +26735 C CZ B PHE U 172 0.2475 0.7722 0.7888 0.0314 0.0011 0.0134 182 PHE a CZ ? ? 1 +26736 N N A MET U 173 0.2407 0.7591 0.7891 0.0122 -0.0105 0.0146 183 MET a N ? ? 1 +26737 N N B MET U 173 0.2374 0.7557 0.7858 0.0119 -0.0106 0.0146 183 MET a N ? ? 1 +26738 C CA A MET U 173 0.2496 0.7590 0.7901 0.0090 -0.0119 0.0125 183 MET a CA ? ? 1 +26739 C CA B MET U 173 0.2462 0.7556 0.7868 0.0088 -0.0120 0.0125 183 MET a CA ? ? 1 +26740 C C A MET U 173 0.2577 0.7565 0.7923 0.0081 -0.0125 0.0116 183 MET a C ? ? 1 +26741 C C B MET U 173 0.2539 0.7527 0.7886 0.0077 -0.0126 0.0115 183 MET a C ? ? 1 +26742 O O A MET U 173 0.2687 0.7576 0.7944 0.0083 -0.0124 0.0096 183 MET a O ? ? 1 +26743 O O B MET U 173 0.2649 0.7538 0.7907 0.0079 -0.0126 0.0095 183 MET a O ? ? 1 +26744 C CB A MET U 173 0.2438 0.7581 0.7887 0.0034 -0.0142 0.0125 183 MET a CB ? ? 1 +26745 C CB B MET U 173 0.2408 0.7552 0.7857 0.0033 -0.0143 0.0125 183 MET a CB ? ? 1 +26746 C CG A MET U 173 0.2395 0.7612 0.7872 0.0037 -0.0140 0.0130 183 MET a CG ? ? 1 +26747 C CG B MET U 173 0.2369 0.7587 0.7845 0.0038 -0.0139 0.0130 183 MET a CG ? ? 1 +26748 S SD A MET U 173 0.2331 0.7607 0.7862 -0.0024 -0.0171 0.0131 183 MET a SD ? ? 1 +26749 S SD B MET U 173 0.2303 0.7586 0.7839 -0.0021 -0.0169 0.0132 183 MET a SD ? ? 1 +26750 C CE A MET U 173 0.2437 0.7627 0.7874 -0.0045 -0.0189 0.0101 183 MET a CE ? ? 1 +26751 C CE B MET U 173 0.2404 0.7604 0.7848 -0.0045 -0.0190 0.0103 183 MET a CE ? ? 1 +26752 N N A ILE U 174 0.2532 0.7535 0.7923 0.0070 -0.0129 0.0129 184 ILE a N ? ? 1 +26753 N N B ILE U 174 0.2490 0.7494 0.7881 0.0065 -0.0131 0.0129 184 ILE a N ? ? 1 +26754 C CA A ILE U 174 0.2613 0.7514 0.7948 0.0054 -0.0134 0.0123 184 ILE a CA ? ? 1 +26755 C CA B ILE U 174 0.2570 0.7471 0.7906 0.0051 -0.0134 0.0123 184 ILE a CA ? ? 1 +26756 C C A ILE U 174 0.2719 0.7535 0.7981 0.0111 -0.0117 0.0120 184 ILE a C ? ? 1 +26757 C C B ILE U 174 0.2673 0.7491 0.7936 0.0109 -0.0117 0.0119 184 ILE a C ? ? 1 +26758 O O A ILE U 174 0.2833 0.7531 0.8007 0.0107 -0.0116 0.0104 184 ILE a O ? ? 1 +26759 O O B ILE U 174 0.2788 0.7488 0.7961 0.0106 -0.0116 0.0103 184 ILE a O ? ? 1 +26760 C CB A ILE U 174 0.2533 0.7478 0.7935 0.0026 -0.0142 0.0140 184 ILE a CB ? ? 1 +26761 C CB B ILE U 174 0.2491 0.7436 0.7893 0.0025 -0.0142 0.0140 184 ILE a CB ? ? 1 +26762 C CG1 A ILE U 174 0.2448 0.7463 0.7914 -0.0032 -0.0159 0.0141 184 ILE a CG1 ? ? 1 +26763 C CG1 B ILE U 174 0.2403 0.7419 0.7871 -0.0033 -0.0159 0.0141 184 ILE a CG1 ? ? 1 +26764 C CG2 A ILE U 174 0.2624 0.7457 0.7963 0.0018 -0.0140 0.0137 184 ILE a CG2 ? ? 1 +26765 C CG2 B ILE U 174 0.2581 0.7416 0.7922 0.0017 -0.0140 0.0138 184 ILE a CG2 ? ? 1 +26766 C CD1 A ILE U 174 0.2352 0.7436 0.7898 -0.0051 -0.0164 0.0160 184 ILE a CD1 ? ? 1 +26767 C CD1 B ILE U 174 0.2309 0.7390 0.7854 -0.0053 -0.0164 0.0160 184 ILE a CD1 ? ? 1 +26768 N N A VAL U 175 0.2682 0.7562 0.7986 0.0165 -0.0103 0.0134 185 VAL a N ? ? 1 +26769 N N B VAL U 175 0.2631 0.7513 0.7937 0.0162 -0.0104 0.0133 185 VAL a N ? ? 1 +26770 C CA A VAL U 175 0.2772 0.7588 0.8018 0.0227 -0.0088 0.0130 185 VAL a CA ? ? 1 +26771 C CA B VAL U 175 0.2717 0.7537 0.7966 0.0225 -0.0088 0.0130 185 VAL a CA ? ? 1 +26772 C C A VAL U 175 0.2868 0.7620 0.8036 0.0247 -0.0077 0.0110 185 VAL a C ? ? 1 +26773 C C B VAL U 175 0.2812 0.7567 0.7981 0.0245 -0.0077 0.0110 185 VAL a C ? ? 1 +26774 O O A VAL U 175 0.2993 0.7636 0.8072 0.0276 -0.0069 0.0098 185 VAL a O ? ? 1 +26775 O O B VAL U 175 0.2937 0.7583 0.8019 0.0274 -0.0070 0.0098 185 VAL a O ? ? 1 +26776 C CB A VAL U 175 0.2700 0.7615 0.8022 0.0278 -0.0078 0.0147 185 VAL a CB ? ? 1 +26777 C CB B VAL U 175 0.2643 0.7562 0.7968 0.0275 -0.0079 0.0147 185 VAL a CB ? ? 1 +26778 C CG1 A VAL U 175 0.2793 0.7653 0.8061 0.0349 -0.0062 0.0141 185 VAL a CG1 ? ? 1 +26779 C CG1 B VAL U 175 0.2735 0.7602 0.8008 0.0346 -0.0062 0.0141 185 VAL a CG1 ? ? 1 +26780 C CG2 A VAL U 175 0.2624 0.7584 0.8009 0.0261 -0.0091 0.0166 185 VAL a CG2 ? ? 1 +26781 C CG2 B VAL U 175 0.2572 0.7532 0.7957 0.0258 -0.0092 0.0166 185 VAL a CG2 ? ? 1 +26782 N N A PHE U 176 0.2826 0.7638 0.8017 0.0229 -0.0076 0.0105 186 PHE a N ? ? 1 +26783 N N B PHE U 176 0.2766 0.7581 0.7959 0.0228 -0.0076 0.0105 186 PHE a N ? ? 1 +26784 C CA A PHE U 176 0.2919 0.7676 0.8034 0.0248 -0.0065 0.0085 186 PHE a CA ? ? 1 +26785 C CA B PHE U 176 0.2857 0.7616 0.7973 0.0245 -0.0066 0.0085 186 PHE a CA ? ? 1 +26786 C C A PHE U 176 0.3048 0.7673 0.8065 0.0214 -0.0078 0.0064 186 PHE a C ? ? 1 +26787 C C B PHE U 176 0.2983 0.7610 0.8002 0.0212 -0.0079 0.0064 186 PHE a C ? ? 1 +26788 O O A PHE U 176 0.3168 0.7694 0.8094 0.0246 -0.0067 0.0048 186 PHE a O ? ? 1 +26789 O O B PHE U 176 0.3105 0.7633 0.8032 0.0243 -0.0068 0.0048 186 PHE a O ? ? 1 +26790 C CB A PHE U 176 0.2846 0.7691 0.8004 0.0231 -0.0065 0.0087 186 PHE a CB ? ? 1 +26791 C CB B PHE U 176 0.2783 0.7630 0.7942 0.0229 -0.0065 0.0086 186 PHE a CB ? ? 1 +26792 C CG A PHE U 176 0.2909 0.7738 0.8014 0.0273 -0.0042 0.0075 186 PHE a CG ? ? 1 +26793 C CG B PHE U 176 0.2848 0.7677 0.7952 0.0271 -0.0043 0.0075 186 PHE a CG ? ? 1 +26794 C CD1 A PHE U 176 0.3027 0.7751 0.8027 0.0269 -0.0045 0.0051 186 PHE a CD1 ? ? 1 +26795 C CD1 B PHE U 176 0.2963 0.7688 0.7964 0.0265 -0.0046 0.0051 186 PHE a CD1 ? ? 1 +26796 C CD2 A PHE U 176 0.2858 0.7775 0.8017 0.0318 -0.0017 0.0087 186 PHE a CD2 ? ? 1 +26797 C CD2 B PHE U 176 0.2798 0.7713 0.7954 0.0316 -0.0017 0.0086 186 PHE a CD2 ? ? 1 +26798 C CE1 A PHE U 176 0.3095 0.7800 0.8041 0.0309 -0.0022 0.0040 186 PHE a CE1 ? ? 1 +26799 C CE1 B PHE U 176 0.3032 0.7737 0.7977 0.0305 -0.0023 0.0040 186 PHE a CE1 ? ? 1 +26800 C CE2 A PHE U 176 0.2924 0.7825 0.8033 0.0357 0.0009 0.0076 186 PHE a CE2 ? ? 1 +26801 C CE2 B PHE U 176 0.2865 0.7762 0.7970 0.0355 0.0008 0.0075 186 PHE a CE2 ? ? 1 +26802 C CZ A PHE U 176 0.3041 0.7834 0.8041 0.0354 0.0006 0.0053 186 PHE a CZ ? ? 1 +26803 C CZ B PHE U 176 0.2982 0.7773 0.7979 0.0350 0.0005 0.0053 186 PHE a CZ ? ? 1 +26804 N N A GLN U 177 0.3026 0.7651 0.8066 0.0150 -0.0100 0.0063 187 GLN a N ? ? 1 +26805 N N B GLN U 177 0.2958 0.7584 0.7999 0.0148 -0.0101 0.0063 187 GLN a N ? ? 1 +26806 C CA A GLN U 177 0.3133 0.7643 0.8094 0.0108 -0.0114 0.0041 187 GLN a CA ? ? 1 +26807 C CA B GLN U 177 0.3063 0.7575 0.8026 0.0105 -0.0114 0.0041 187 GLN a CA ? ? 1 +26808 C C A GLN U 177 0.3259 0.7652 0.8148 0.0133 -0.0103 0.0039 187 GLN a C ? ? 1 +26809 C C B GLN U 177 0.3186 0.7580 0.8077 0.0129 -0.0104 0.0039 187 GLN a C ? ? 1 +26810 O O A GLN U 177 0.3385 0.7658 0.8175 0.0134 -0.0101 0.0018 187 GLN a O ? ? 1 +26811 O O B GLN U 177 0.3312 0.7587 0.8104 0.0132 -0.0102 0.0018 187 GLN a O ? ? 1 +26812 C CB A GLN U 177 0.3054 0.7608 0.8075 0.0037 -0.0137 0.0043 187 GLN a CB ? ? 1 +26813 C CB B GLN U 177 0.2983 0.7541 0.8007 0.0034 -0.0138 0.0043 187 GLN a CB ? ? 1 +26814 C CG A GLN U 177 0.3141 0.7583 0.8097 -0.0015 -0.0149 0.0021 187 GLN a CG ? ? 1 +26815 C CG B GLN U 177 0.3065 0.7519 0.8029 -0.0021 -0.0152 0.0020 187 GLN a CG ? ? 1 +26816 C CD A GLN U 177 0.3243 0.7606 0.8112 -0.0020 -0.0155 -0.0008 187 GLN a CD ? ? 1 +26817 C CD B GLN U 177 0.3173 0.7542 0.8044 -0.0021 -0.0156 -0.0009 187 GLN a CD ? ? 1 +26818 O OE1 A GLN U 177 0.3225 0.7632 0.8092 -0.0002 -0.0156 -0.0014 187 GLN a OE1 ? ? 1 +26819 O OE1 B GLN U 177 0.3155 0.7567 0.8024 -0.0008 -0.0159 -0.0015 187 GLN a OE1 ? ? 1 +26820 N NE2 A GLN U 177 0.3362 0.7600 0.8151 -0.0045 -0.0157 -0.0028 187 GLN a NE2 ? ? 1 +26821 N NE2 B GLN U 177 0.3300 0.7538 0.8084 -0.0035 -0.0154 -0.0027 187 GLN a NE2 ? ? 1 +26822 N N A ALA U 178 0.3242 0.7664 0.8176 0.0153 -0.0098 0.0061 188 ALA a N ? ? 1 +26823 N N B ALA U 178 0.3166 0.7590 0.8101 0.0150 -0.0099 0.0060 188 ALA a N ? ? 1 +26824 C CA A ALA U 178 0.3363 0.7677 0.8228 0.0185 -0.0089 0.0063 188 ALA a CA ? ? 1 +26825 C CA B ALA U 178 0.3284 0.7601 0.8151 0.0183 -0.0089 0.0063 188 ALA a CA ? ? 1 +26826 C C A ALA U 178 0.3489 0.7738 0.8279 0.0255 -0.0071 0.0053 188 ALA a C ? ? 1 +26827 C C B ALA U 178 0.3405 0.7656 0.8197 0.0252 -0.0071 0.0053 188 ALA a C ? ? 1 +26828 O O A ALA U 178 0.3623 0.7739 0.8315 0.0269 -0.0065 0.0042 188 ALA a O ? ? 1 +26829 O O B ALA U 178 0.3540 0.7658 0.8235 0.0266 -0.0066 0.0042 188 ALA a O ? ? 1 +26830 C CB A ALA U 178 0.3288 0.7664 0.8221 0.0202 -0.0089 0.0088 188 ALA a CB ? ? 1 +26831 C CB B ALA U 178 0.3208 0.7589 0.8145 0.0201 -0.0089 0.0089 188 ALA a CB ? ? 1 +26832 N N A GLU U 179 0.3457 0.7799 0.8293 0.0298 -0.0060 0.0057 189 GLU a N ? ? 1 +26833 N N B GLU U 179 0.3367 0.7711 0.8204 0.0297 -0.0060 0.0057 189 GLU a N ? ? 1 +26834 C CA A GLU U 179 0.3564 0.7865 0.8346 0.0372 -0.0039 0.0050 189 GLU a CA ? ? 1 +26835 C CA B GLU U 179 0.3469 0.7772 0.8252 0.0370 -0.0040 0.0050 189 GLU a CA ? ? 1 +26836 C C A GLU U 179 0.3636 0.7878 0.8340 0.0376 -0.0031 0.0026 189 GLU a C ? ? 1 +26837 C C B GLU U 179 0.3539 0.7787 0.8247 0.0376 -0.0031 0.0026 189 GLU a C ? ? 1 +26838 O O A GLU U 179 0.3747 0.7912 0.8375 0.0430 -0.0015 0.0014 189 GLU a O ? ? 1 +26839 O O B GLU U 179 0.3640 0.7828 0.8284 0.0434 -0.0013 0.0016 189 GLU a O ? ? 1 +26840 C CB A GLU U 179 0.3501 0.7936 0.8378 0.0423 -0.0027 0.0068 189 GLU a CB ? ? 1 +26841 C CB B GLU U 179 0.3401 0.7837 0.8280 0.0421 -0.0028 0.0068 189 GLU a CB ? ? 1 +26842 C CG A GLU U 179 0.3487 0.7957 0.8419 0.0435 -0.0035 0.0089 189 GLU a CG ? ? 1 +26843 C CG B GLU U 179 0.3378 0.7852 0.8315 0.0430 -0.0037 0.0089 189 GLU a CG ? ? 1 +26844 C CD A GLU U 179 0.3426 0.8032 0.8460 0.0481 -0.0027 0.0104 189 GLU a CD ? ? 1 +26845 C CD B GLU U 179 0.3307 0.7919 0.8349 0.0472 -0.0030 0.0106 189 GLU a CD ? ? 1 +26846 O OE1 A GLU U 179 0.3439 0.8132 0.8519 0.0492 -0.0014 0.0102 189 GLU a OE1 ? ? 1 +26847 O OE1 B GLU U 179 0.3307 0.8011 0.8400 0.0484 -0.0017 0.0104 189 GLU a OE1 ? ? 1 +26848 O OE2 A GLU U 179 0.3468 0.8091 0.8534 0.0505 -0.0034 0.0118 189 GLU a OE2 ? ? 1 +26849 O OE2 B GLU U 179 0.3351 0.7975 0.8421 0.0492 -0.0038 0.0120 189 GLU a OE2 ? ? 1 +26850 N N A HIS U 180 0.3579 0.7852 0.8296 0.0321 -0.0044 0.0017 190 HIS a N ? ? 1 +26851 N N B HIS U 180 0.3490 0.7758 0.8204 0.0319 -0.0045 0.0016 190 HIS a N ? ? 1 +26852 C CA A HIS U 180 0.3642 0.7868 0.8287 0.0323 -0.0039 -0.0006 190 HIS a CA ? ? 1 +26853 C CA B HIS U 180 0.3555 0.7777 0.8198 0.0322 -0.0040 -0.0007 190 HIS a CA ? ? 1 +26854 C C A HIS U 180 0.3685 0.7842 0.8279 0.0255 -0.0063 -0.0027 190 HIS a C ? ? 1 +26855 C C B HIS U 180 0.3598 0.7754 0.8191 0.0253 -0.0063 -0.0028 190 HIS a C ? ? 1 +26856 O O A HIS U 180 0.3761 0.7865 0.8283 0.0255 -0.0063 -0.0049 190 HIS a O ? ? 1 +26857 O O B HIS U 180 0.3676 0.7776 0.8195 0.0255 -0.0063 -0.0050 190 HIS a O ? ? 1 +26858 C CB A HIS U 180 0.3549 0.7901 0.8262 0.0339 -0.0029 0.0002 190 HIS a CB ? ? 1 +26859 C CB B HIS U 180 0.3461 0.7808 0.8170 0.0338 -0.0029 0.0002 190 HIS a CB ? ? 1 +26860 C CG A HIS U 180 0.3504 0.7933 0.8272 0.0405 -0.0004 0.0019 190 HIS a CG ? ? 1 +26861 C CG B HIS U 180 0.3413 0.7839 0.8180 0.0403 -0.0004 0.0018 190 HIS a CG ? ? 1 +26862 N ND1 A HIS U 180 0.3599 0.7973 0.8307 0.0471 0.0021 0.0009 190 HIS a ND1 ? ? 1 +26863 N ND1 B HIS U 180 0.3507 0.7877 0.8213 0.0470 0.0020 0.0009 190 HIS a ND1 ? ? 1 +26864 C CD2 A HIS U 180 0.3373 0.7931 0.8255 0.0411 0.0000 0.0042 190 HIS a CD2 ? ? 1 +26865 C CD2 B HIS U 180 0.3279 0.7835 0.8159 0.0409 -0.0001 0.0041 190 HIS a CD2 ? ? 1 +26866 C CE1 A HIS U 180 0.3525 0.8001 0.8315 0.0516 0.0038 0.0025 190 HIS a CE1 ? ? 1 +26867 C CE1 B HIS U 180 0.3432 0.7905 0.8221 0.0514 0.0037 0.0026 190 HIS a CE1 ? ? 1 +26868 N NE2 A HIS U 180 0.3388 0.7976 0.8283 0.0481 0.0025 0.0045 190 HIS a NE2 ? ? 1 +26869 N NE2 B HIS U 180 0.3292 0.7877 0.8186 0.0478 0.0024 0.0045 190 HIS a NE2 ? ? 1 +26870 N N A ASN U 181 0.3629 0.7790 0.8262 0.0197 -0.0083 -0.0022 191 ASN a N ? ? 1 +26871 N N B ASN U 181 0.3540 0.7704 0.8174 0.0194 -0.0084 -0.0022 191 ASN a N ? ? 1 +26872 C CA A ASN U 181 0.3651 0.7769 0.8258 0.0127 -0.0107 -0.0042 191 ASN a CA ? ? 1 +26873 C CA B ASN U 181 0.3565 0.7687 0.8173 0.0124 -0.0108 -0.0043 191 ASN a CA ? ? 1 +26874 C C A ASN U 181 0.3613 0.7791 0.8228 0.0114 -0.0118 -0.0054 191 ASN a C ? ? 1 +26875 C C B ASN U 181 0.3530 0.7713 0.8148 0.0110 -0.0119 -0.0054 191 ASN a C ? ? 1 +26876 O O A ASN U 181 0.3710 0.7810 0.8246 0.0097 -0.0127 -0.0081 191 ASN a O ? ? 1 +26877 O O B ASN U 181 0.3626 0.7732 0.8165 0.0093 -0.0129 -0.0081 191 ASN a O ? ? 1 +26878 C CB A ASN U 181 0.3813 0.7768 0.8302 0.0119 -0.0106 -0.0067 191 ASN a CB ? ? 1 +26879 C CB B ASN U 181 0.3729 0.7686 0.8218 0.0117 -0.0107 -0.0067 191 ASN a CB ? ? 1 +26880 C CG A ASN U 181 0.3840 0.7747 0.8317 0.0039 -0.0131 -0.0085 191 ASN a CG ? ? 1 +26881 C CG B ASN U 181 0.3755 0.7664 0.8234 0.0038 -0.0131 -0.0085 191 ASN a CG ? ? 1 +26882 O OD1 A ASN U 181 0.3733 0.7731 0.8295 -0.0012 -0.0149 -0.0080 191 ASN a OD1 ? ? 1 +26883 O OD1 B ASN U 181 0.3647 0.7646 0.8211 -0.0012 -0.0149 -0.0079 191 ASN a OD1 ? ? 1 +26884 N ND2 A ASN U 181 0.3988 0.7751 0.8361 0.0026 -0.0130 -0.0109 191 ASN a ND2 ? ? 1 +26885 N ND2 B ASN U 181 0.3901 0.7666 0.8277 0.0025 -0.0130 -0.0108 191 ASN a ND2 ? ? 1 +26886 N N A ILE U 182 0.3472 0.7785 0.8183 0.0120 -0.0116 -0.0033 192 ILE a N ? ? 1 +26887 N N B ILE U 182 0.3394 0.7711 0.8107 0.0118 -0.0117 -0.0033 192 ILE a N ? ? 1 +26888 C CA A ILE U 182 0.3436 0.7811 0.8155 0.0116 -0.0123 -0.0039 192 ILE a CA ? ? 1 +26889 C CA B ILE U 182 0.3358 0.7738 0.8080 0.0115 -0.0123 -0.0038 192 ILE a CA ? ? 1 +26890 C C A ILE U 182 0.3450 0.7804 0.8151 0.0052 -0.0156 -0.0061 192 ILE a C ? ? 1 +26891 C C B ILE U 182 0.3375 0.7736 0.8079 0.0052 -0.0157 -0.0060 192 ILE a C ? ? 1 +26892 O O A ILE U 182 0.3493 0.7833 0.8144 0.0054 -0.0164 -0.0078 192 ILE a O ? ? 1 +26893 O O B ILE U 182 0.3413 0.7764 0.8070 0.0054 -0.0164 -0.0076 192 ILE a O ? ? 1 +26894 C CB A ILE U 182 0.3292 0.7813 0.8123 0.0130 -0.0114 -0.0010 192 ILE a CB ? ? 1 +26895 C CB B ILE U 182 0.3215 0.7741 0.8048 0.0130 -0.0114 -0.0009 192 ILE a CB ? ? 1 +26896 C CG1 A ILE U 182 0.3268 0.7847 0.8101 0.0127 -0.0119 -0.0013 192 ILE a CG1 ? ? 1 +26897 C CG1 B ILE U 182 0.3188 0.7773 0.8026 0.0123 -0.0121 -0.0013 192 ILE a CG1 ? ? 1 +26898 C CG2 A ILE U 182 0.3186 0.7773 0.8110 0.0086 -0.0131 0.0007 192 ILE a CG2 ? ? 1 +26899 C CG2 B ILE U 182 0.3107 0.7701 0.8035 0.0089 -0.0129 0.0009 192 ILE a CG2 ? ? 1 +26900 C CD1 A ILE U 182 0.3149 0.7854 0.8072 0.0149 -0.0103 0.0014 192 ILE a CD1 ? ? 1 +26901 C CD1 B ILE U 182 0.3083 0.7785 0.7999 0.0151 -0.0102 0.0012 192 ILE a CD1 ? ? 1 +26902 N N A LEU U 183 0.3411 0.7763 0.8151 -0.0003 -0.0176 -0.0062 193 LEU a N ? ? 1 +26903 N N B LEU U 183 0.3345 0.7700 0.8086 -0.0003 -0.0177 -0.0063 193 LEU a N ? ? 1 +26904 C CA A LEU U 183 0.3416 0.7760 0.8153 -0.0065 -0.0209 -0.0085 193 LEU a CA ? ? 1 +26905 C CA B LEU U 183 0.3354 0.7700 0.8090 -0.0066 -0.0210 -0.0086 193 LEU a CA ? ? 1 +26906 C C A LEU U 183 0.3561 0.7780 0.8180 -0.0070 -0.0218 -0.0120 193 LEU a C ? ? 1 +26907 C C B LEU U 183 0.3503 0.7723 0.8122 -0.0071 -0.0219 -0.0121 193 LEU a C ? ? 1 +26908 O O A LEU U 183 0.3578 0.7801 0.8177 -0.0100 -0.0244 -0.0142 193 LEU a O ? ? 1 +26909 O O B LEU U 183 0.3520 0.7744 0.8119 -0.0100 -0.0245 -0.0142 193 LEU a O ? ? 1 +26910 C CB A LEU U 183 0.3369 0.7725 0.8167 -0.0121 -0.0222 -0.0082 193 LEU a CB ? ? 1 +26911 C CB B LEU U 183 0.3306 0.7664 0.8104 -0.0122 -0.0223 -0.0082 193 LEU a CB ? ? 1 +26912 C CG A LEU U 183 0.3210 0.7697 0.8128 -0.0130 -0.0223 -0.0052 193 LEU a CG ? ? 1 +26913 C CG B LEU U 183 0.3145 0.7636 0.8065 -0.0131 -0.0224 -0.0052 193 LEU a CG ? ? 1 +26914 C CD1 A LEU U 183 0.3180 0.7664 0.8146 -0.0179 -0.0229 -0.0049 193 LEU a CD1 ? ? 1 +26915 C CD1 B LEU U 183 0.3115 0.7601 0.8082 -0.0179 -0.0229 -0.0049 193 LEU a CD1 ? ? 1 +26916 C CD2 A LEU U 183 0.3136 0.7721 0.8104 -0.0147 -0.0246 -0.0054 193 LEU a CD2 ? ? 1 +26917 C CD2 B LEU U 183 0.3070 0.7659 0.8042 -0.0150 -0.0247 -0.0054 193 LEU a CD2 ? ? 1 +26918 N N A MET U 184 0.3667 0.7777 0.8206 -0.0038 -0.0196 -0.0126 194 MET a N ? ? 1 +26919 N N B MET U 184 0.3615 0.7724 0.8153 -0.0040 -0.0197 -0.0127 194 MET a N ? ? 1 +26920 C CA A MET U 184 0.3823 0.7800 0.8241 -0.0039 -0.0200 -0.0159 194 MET a CA ? ? 1 +26921 C CA B MET U 184 0.3774 0.7750 0.8193 -0.0042 -0.0202 -0.0160 194 MET a CA ? ? 1 +26922 C C A MET U 184 0.3882 0.7838 0.8230 0.0022 -0.0183 -0.0165 194 MET a C ? ? 1 +26923 C C B MET U 184 0.3840 0.7793 0.8186 0.0018 -0.0185 -0.0166 194 MET a C ? ? 1 +26924 O O A MET U 184 0.4023 0.7862 0.8261 0.0035 -0.0181 -0.0190 194 MET a O ? ? 1 +26925 O O B MET U 184 0.3983 0.7821 0.8220 0.0027 -0.0185 -0.0194 194 MET a O ? ? 1 +26926 C CB A MET U 184 0.3920 0.7774 0.8279 -0.0037 -0.0185 -0.0164 194 MET a CB ? ? 1 +26927 C CB B MET U 184 0.3871 0.7725 0.8230 -0.0039 -0.0186 -0.0164 194 MET a CB ? ? 1 +26928 C CG A MET U 184 0.3896 0.7744 0.8302 -0.0105 -0.0200 -0.0165 194 MET a CG ? ? 1 +26929 C CG B MET U 184 0.3848 0.7694 0.8254 -0.0106 -0.0200 -0.0165 194 MET a CG ? ? 1 +26930 S SD A MET U 184 0.3963 0.7771 0.8345 -0.0188 -0.0239 -0.0206 194 MET a SD ? ? 1 +26931 S SD B MET U 184 0.3918 0.7722 0.8297 -0.0189 -0.0239 -0.0207 194 MET a SD ? ? 1 +26932 C CE A MET U 184 0.4166 0.7786 0.8395 -0.0173 -0.0229 -0.0237 194 MET a CE ? ? 1 +26933 C CE B MET U 184 0.4121 0.7734 0.8349 -0.0175 -0.0228 -0.0237 194 MET a CE ? ? 1 +26934 N N A HIS U 185 0.3781 0.7847 0.8189 0.0058 -0.0170 -0.0141 195 HIS a N ? ? 1 +26935 N N B HIS U 185 0.3747 0.7807 0.8150 0.0058 -0.0170 -0.0142 195 HIS a N ? ? 1 +26936 C CA A HIS U 185 0.3828 0.7885 0.8175 0.0114 -0.0149 -0.0144 195 HIS a CA ? ? 1 +26937 C CA B HIS U 185 0.3798 0.7847 0.8141 0.0114 -0.0148 -0.0145 195 HIS a CA ? ? 1 +26938 C C A HIS U 185 0.3824 0.7914 0.8156 0.0089 -0.0174 -0.0159 195 HIS a C ? ? 1 +26939 C C B HIS U 185 0.3795 0.7881 0.8124 0.0091 -0.0173 -0.0159 195 HIS a C ? ? 1 +26940 O O A HIS U 185 0.3710 0.7904 0.8126 0.0059 -0.0192 -0.0146 195 HIS a O ? ? 1 +26941 O O B HIS U 185 0.3677 0.7870 0.8092 0.0066 -0.0188 -0.0144 195 HIS a O ? ? 1 +26942 C CB A HIS U 185 0.3733 0.7884 0.8149 0.0169 -0.0115 -0.0112 195 HIS a CB ? ? 1 +26943 C CB B HIS U 185 0.3700 0.7845 0.8113 0.0169 -0.0115 -0.0113 195 HIS a CB ? ? 1 +26944 C CG A HIS U 185 0.3805 0.7928 0.8154 0.0234 -0.0083 -0.0116 195 HIS a CG ? ? 1 +26945 C CG B HIS U 185 0.3763 0.7889 0.8115 0.0234 -0.0083 -0.0115 195 HIS a CG ? ? 1 +26946 N ND1 A HIS U 185 0.3838 0.7968 0.8140 0.0239 -0.0085 -0.0127 195 HIS a ND1 ? ? 1 +26947 N ND1 B HIS U 185 0.3785 0.7928 0.8099 0.0238 -0.0085 -0.0124 195 HIS a ND1 ? ? 1 +26948 C CD2 A HIS U 185 0.3855 0.7942 0.8174 0.0295 -0.0049 -0.0112 195 HIS a CD2 ? ? 1 +26949 C CD2 B HIS U 185 0.3811 0.7904 0.8135 0.0296 -0.0048 -0.0110 195 HIS a CD2 ? ? 1 +26950 C CE1 A HIS U 185 0.3909 0.8007 0.8156 0.0301 -0.0048 -0.0129 195 HIS a CE1 ? ? 1 +26951 C CE1 B HIS U 185 0.3849 0.7969 0.8114 0.0300 -0.0048 -0.0124 195 HIS a CE1 ? ? 1 +26952 N NE2 A HIS U 185 0.3916 0.7992 0.8176 0.0337 -0.0026 -0.0120 195 HIS a NE2 ? ? 1 +26953 N NE2 B HIS U 185 0.3863 0.7956 0.8135 0.0337 -0.0025 -0.0117 195 HIS a NE2 ? ? 1 +26954 N N A PRO U 186 0.3956 0.7956 0.8175 0.0104 -0.0177 -0.0187 196 PRO a N ? ? 1 +26955 N N B PRO U 186 0.3934 0.7928 0.8150 0.0103 -0.0177 -0.0188 196 PRO a N ? ? 1 +26956 C CA A PRO U 186 0.3972 0.7991 0.8162 0.0082 -0.0205 -0.0203 196 PRO a CA ? ? 1 +26957 C CA B PRO U 186 0.3951 0.7965 0.8140 0.0080 -0.0205 -0.0204 196 PRO a CA ? ? 1 +26958 C C A PRO U 186 0.3870 0.8006 0.8117 0.0106 -0.0193 -0.0178 196 PRO a C ? ? 1 +26959 C C B PRO U 186 0.3856 0.7986 0.8100 0.0104 -0.0194 -0.0179 196 PRO a C ? ? 1 +26960 O O A PRO U 186 0.3851 0.8031 0.8108 0.0078 -0.0223 -0.0183 196 PRO a O ? ? 1 +26961 O O B PRO U 186 0.3845 0.8015 0.8095 0.0077 -0.0224 -0.0186 196 PRO a O ? ? 1 +26962 C CB A PRO U 186 0.4145 0.8033 0.8192 0.0106 -0.0201 -0.0235 196 PRO a CB ? ? 1 +26963 C CB B PRO U 186 0.4123 0.8006 0.8169 0.0104 -0.0202 -0.0236 196 PRO a CB ? ? 1 +26964 C CG A PRO U 186 0.4205 0.8025 0.8214 0.0157 -0.0160 -0.0229 196 PRO a CG ? ? 1 +26965 C CG B PRO U 186 0.4183 0.8001 0.8191 0.0157 -0.0161 -0.0230 196 PRO a CG ? ? 1 +26966 C CD A PRO U 186 0.4104 0.7973 0.8212 0.0142 -0.0155 -0.0205 196 PRO a CD ? ? 1 +26967 C CD B PRO U 186 0.4086 0.7949 0.8190 0.0141 -0.0155 -0.0206 196 PRO a CD ? ? 1 +26968 N N A PHE U 187 0.3817 0.8001 0.8099 0.0158 -0.0151 -0.0151 197 PHE a N ? ? 1 +26969 N N B PHE U 187 0.3801 0.7984 0.8085 0.0155 -0.0153 -0.0152 197 PHE a N ? ? 1 +26970 C CA A PHE U 187 0.3727 0.8016 0.8061 0.0179 -0.0135 -0.0127 197 PHE a CA ? ? 1 +26971 C CA B PHE U 187 0.3721 0.8006 0.8053 0.0177 -0.0137 -0.0128 197 PHE a CA ? ? 1 +26972 C C A PHE U 187 0.3566 0.7973 0.8027 0.0142 -0.0153 -0.0103 197 PHE a C ? ? 1 +26973 C C B PHE U 187 0.3558 0.7964 0.8017 0.0140 -0.0155 -0.0104 197 PHE a C ? ? 1 +26974 O O A PHE U 187 0.3503 0.7986 0.7998 0.0137 -0.0159 -0.0090 197 PHE a O ? ? 1 +26975 O O B PHE U 187 0.3499 0.7976 0.7987 0.0134 -0.0162 -0.0093 197 PHE a O ? ? 1 +26976 C CB A PHE U 187 0.3731 0.8038 0.8066 0.0245 -0.0082 -0.0109 197 PHE a CB ? ? 1 +26977 C CB B PHE U 187 0.3730 0.8033 0.8061 0.0243 -0.0084 -0.0110 197 PHE a CB ? ? 1 +26978 C CG A PHE U 187 0.3870 0.8092 0.8084 0.0290 -0.0057 -0.0128 197 PHE a CG ? ? 1 +26979 C CG B PHE U 187 0.3874 0.8091 0.8084 0.0289 -0.0059 -0.0129 197 PHE a CG ? ? 1 +26980 C CD1 A PHE U 187 0.3997 0.8114 0.8099 0.0273 -0.0083 -0.0161 197 PHE a CD1 ? ? 1 +26981 C CD1 B PHE U 187 0.4009 0.8116 0.8105 0.0273 -0.0084 -0.0163 197 PHE a CD1 ? ? 1 +26982 C CD2 A PHE U 187 0.3878 0.8127 0.8093 0.0349 -0.0008 -0.0114 197 PHE a CD2 ? ? 1 +26983 C CD2 B PHE U 187 0.3885 0.8133 0.8096 0.0347 -0.0010 -0.0115 197 PHE a CD2 ? ? 1 +26984 C CE1 A PHE U 187 0.4130 0.8165 0.8116 0.0316 -0.0060 -0.0178 197 PHE a CE1 ? ? 1 +26985 C CE1 B PHE U 187 0.4145 0.8169 0.8124 0.0316 -0.0061 -0.0181 197 PHE a CE1 ? ? 1 +26986 C CE2 A PHE U 187 0.4010 0.8182 0.8113 0.0392 0.0018 -0.0132 197 PHE a CE2 ? ? 1 +26987 C CE2 B PHE U 187 0.4022 0.8191 0.8121 0.0390 0.0016 -0.0133 197 PHE a CE2 ? ? 1 +26988 C CZ A PHE U 187 0.4139 0.8200 0.8124 0.0376 -0.0008 -0.0163 197 PHE a CZ ? ? 1 +26989 C CZ B PHE U 187 0.4154 0.8209 0.8134 0.0375 -0.0010 -0.0165 197 PHE a CZ ? ? 1 +26990 N N A HIS U 188 0.3510 0.7928 0.8036 0.0117 -0.0160 -0.0096 198 HIS a N ? ? 1 +26991 N N B HIS U 188 0.3499 0.7920 0.8027 0.0117 -0.0160 -0.0095 198 HIS a N ? ? 1 +26992 C CA A HIS U 188 0.3380 0.7898 0.8018 0.0075 -0.0181 -0.0078 198 HIS a CA ? ? 1 +26993 C CA B HIS U 188 0.3371 0.7892 0.8011 0.0075 -0.0182 -0.0077 198 HIS a CA ? ? 1 +26994 C C A HIS U 188 0.3398 0.7907 0.8025 0.0020 -0.0229 -0.0100 198 HIS a C ? ? 1 +26995 C C B HIS U 188 0.3391 0.7902 0.8023 0.0017 -0.0229 -0.0100 198 HIS a C ? ? 1 +26996 O O A HIS U 188 0.3316 0.7912 0.8008 -0.0003 -0.0248 -0.0089 198 HIS a O ? ? 1 +26997 O O B HIS U 188 0.3303 0.7902 0.8011 -0.0011 -0.0250 -0.0088 198 HIS a O ? ? 1 +26998 C CB A HIS U 188 0.3325 0.7849 0.8027 0.0064 -0.0176 -0.0065 198 HIS a CB ? ? 1 +26999 C CB B HIS U 188 0.3315 0.7845 0.8020 0.0066 -0.0174 -0.0064 198 HIS a CB ? ? 1 +27000 C CG A HIS U 188 0.3194 0.7817 0.8008 0.0021 -0.0196 -0.0048 198 HIS a CG ? ? 1 +27001 C CG B HIS U 188 0.3188 0.7812 0.8003 0.0021 -0.0196 -0.0048 198 HIS a CG ? ? 1 +27002 N ND1 A HIS U 188 0.3191 0.7797 0.8026 -0.0036 -0.0228 -0.0062 198 HIS a ND1 ? ? 1 +27003 N ND1 B HIS U 188 0.3195 0.7799 0.8023 -0.0037 -0.0230 -0.0065 198 HIS a ND1 ? ? 1 +27004 C CD2 A HIS U 188 0.3070 0.7806 0.7978 0.0028 -0.0187 -0.0020 198 HIS a CD2 ? ? 1 +27005 C CD2 B HIS U 188 0.3061 0.7797 0.7974 0.0027 -0.0187 -0.0019 198 HIS a CD2 ? ? 1 +27006 C CE1 A HIS U 188 0.3060 0.7770 0.8000 -0.0059 -0.0236 -0.0041 198 HIS a CE1 ? ? 1 +27007 C CE1 B HIS U 188 0.3064 0.7767 0.7996 -0.0062 -0.0240 -0.0044 198 HIS a CE1 ? ? 1 +27008 N NE2 A HIS U 188 0.2986 0.7774 0.7970 -0.0022 -0.0213 -0.0015 198 HIS a NE2 ? ? 1 +27009 N NE2 B HIS U 188 0.2982 0.7765 0.7966 -0.0026 -0.0215 -0.0017 198 HIS a NE2 ? ? 1 +27010 N N . GLN U 189 0.3516 0.7918 0.8059 0.0000 -0.0247 -0.0133 199 GLN a N ? ? 1 +27011 C CA . GLN U 189 0.3552 0.7942 0.8082 -0.0053 -0.0294 -0.0159 199 GLN a CA ? ? 1 +27012 C CB . GLN U 189 0.3684 0.7945 0.8123 -0.0073 -0.0306 -0.0195 199 GLN a CB ? ? 1 +27013 C CG . GLN U 189 0.3664 0.7891 0.8137 -0.0094 -0.0295 -0.0191 199 GLN a CG ? ? 1 +27014 C CD . GLN U 189 0.3809 0.7894 0.8177 -0.0094 -0.0291 -0.0219 199 GLN a CD ? ? 1 +27015 O OE1 . GLN U 189 0.3926 0.7934 0.8197 -0.0089 -0.0303 -0.0247 199 GLN a OE1 ? ? 1 +27016 N NE2 . GLN U 189 0.3819 0.7859 0.8199 -0.0099 -0.0273 -0.0211 199 GLN a NE2 ? ? 1 +27017 C C . GLN U 189 0.3577 0.7998 0.8072 -0.0043 -0.0311 -0.0164 199 GLN a C ? ? 1 +27018 O O . GLN U 189 0.3521 0.8005 0.8065 -0.0078 -0.0347 -0.0167 199 GLN a O ? ? 1 +27019 N N . LEU U 190 0.3660 0.8036 0.8070 0.0008 -0.0284 -0.0165 200 LEU a N ? ? 1 +27020 C CA . LEU U 190 0.3686 0.8086 0.8054 0.0026 -0.0292 -0.0164 200 LEU a CA ? ? 1 +27021 C CB . LEU U 190 0.3808 0.8136 0.8068 0.0083 -0.0254 -0.0168 200 LEU a CB ? ? 1 +27022 C CG . LEU U 190 0.3981 0.8174 0.8113 0.0084 -0.0266 -0.0207 200 LEU a CG ? ? 1 +27023 C CD1 . LEU U 190 0.4081 0.8208 0.8122 0.0148 -0.0217 -0.0206 200 LEU a CD1 ? ? 1 +27024 C CD2 . LEU U 190 0.4055 0.8221 0.8125 0.0056 -0.0316 -0.0236 200 LEU a CD2 ? ? 1 +27025 C C . LEU U 190 0.3540 0.8067 0.8011 0.0029 -0.0284 -0.0128 200 LEU a C ? ? 1 +27026 O O . LEU U 190 0.3523 0.8092 0.7996 0.0019 -0.0309 -0.0127 200 LEU a O ? ? 1 +27027 N N . GLY U 191 0.3438 0.8020 0.7991 0.0044 -0.0250 -0.0100 201 GLY a N ? ? 1 +27028 C CA . GLY U 191 0.3298 0.7997 0.7956 0.0043 -0.0241 -0.0067 201 GLY a CA ? ? 1 +27029 C C . GLY U 191 0.3208 0.7971 0.7944 -0.0010 -0.0286 -0.0068 201 GLY a C ? ? 1 +27030 O O . GLY U 191 0.3147 0.7980 0.7921 -0.0014 -0.0298 -0.0055 201 GLY a O ? ? 1 +27031 N N . VAL U 192 0.3209 0.7945 0.7970 -0.0048 -0.0307 -0.0084 202 VAL a N ? ? 1 +27032 C CA . VAL U 192 0.3148 0.7938 0.7981 -0.0101 -0.0349 -0.0091 202 VAL a CA ? ? 1 +27033 C CB . VAL U 192 0.3165 0.7914 0.8020 -0.0141 -0.0360 -0.0107 202 VAL a CB ? ? 1 +27034 C CG1 . VAL U 192 0.3118 0.7920 0.8042 -0.0198 -0.0403 -0.0120 202 VAL a CG1 ? ? 1 +27035 C CG2 . VAL U 192 0.3096 0.7862 0.8007 -0.0125 -0.0322 -0.0082 202 VAL a CG2 ? ? 1 +27036 C C . VAL U 192 0.3201 0.7983 0.7985 -0.0116 -0.0391 -0.0114 202 VAL a C ? ? 1 +27037 O O . VAL U 192 0.3122 0.7982 0.7966 -0.0135 -0.0417 -0.0107 202 VAL a O ? ? 1 +27038 N N A ALA U 193 0.3331 0.8016 0.8002 -0.0106 -0.0399 -0.0143 203 ALA a N ? ? 1 +27039 N N B ALA U 193 0.3344 0.8029 0.8014 -0.0105 -0.0399 -0.0142 203 ALA a N ? ? 1 +27040 C CA A ALA U 193 0.3402 0.8068 0.8008 -0.0114 -0.0441 -0.0167 203 ALA a CA ? ? 1 +27041 C CA B ALA U 193 0.3427 0.8091 0.8030 -0.0112 -0.0440 -0.0167 203 ALA a CA ? ? 1 +27042 C C A ALA U 193 0.3363 0.8088 0.7969 -0.0081 -0.0433 -0.0142 203 ALA a C ? ? 1 +27043 C C B ALA U 193 0.3390 0.8111 0.7990 -0.0079 -0.0432 -0.0142 203 ALA a C ? ? 1 +27044 O O A ALA U 193 0.3349 0.8117 0.7968 -0.0096 -0.0472 -0.0147 203 ALA a O ? ? 1 +27045 O O B ALA U 193 0.3392 0.8146 0.7991 -0.0093 -0.0472 -0.0151 203 ALA a O ? ? 1 +27046 C CB A ALA U 193 0.3558 0.8102 0.8033 -0.0099 -0.0442 -0.0199 203 ALA a CB ? ? 1 +27047 C CB B ALA U 193 0.3594 0.8136 0.8066 -0.0097 -0.0440 -0.0198 203 ALA a CB ? ? 1 +27048 N N A GLY U 194 0.3350 0.8075 0.7941 -0.0036 -0.0381 -0.0115 204 GLY a N ? ? 1 +27049 N N B GLY U 194 0.3360 0.8092 0.7957 -0.0036 -0.0380 -0.0113 204 GLY a N ? ? 1 +27050 C CA A GLY U 194 0.3312 0.8089 0.7904 -0.0004 -0.0361 -0.0088 204 GLY a CA ? ? 1 +27051 C CA B GLY U 194 0.3319 0.8102 0.7916 -0.0005 -0.0362 -0.0086 204 GLY a CA ? ? 1 +27052 C C A GLY U 194 0.3179 0.8065 0.7881 -0.0026 -0.0378 -0.0064 204 GLY a C ? ? 1 +27053 C C B GLY U 194 0.3184 0.8076 0.7893 -0.0028 -0.0380 -0.0063 204 GLY a C ? ? 1 +27054 O O A GLY U 194 0.3185 0.8098 0.7871 -0.0023 -0.0399 -0.0060 204 GLY a O ? ? 1 +27055 O O B GLY U 194 0.3190 0.8109 0.7884 -0.0026 -0.0403 -0.0060 204 GLY a O ? ? 1 +27056 N N A VAL U 195 0.3069 0.8013 0.7879 -0.0047 -0.0368 -0.0050 205 VAL a N ? ? 1 +27057 N N B VAL U 195 0.3073 0.8021 0.7888 -0.0048 -0.0369 -0.0049 205 VAL a N ? ? 1 +27058 C CA A VAL U 195 0.2942 0.7988 0.7859 -0.0065 -0.0379 -0.0026 205 VAL a CA ? ? 1 +27059 C CA B VAL U 195 0.2943 0.7994 0.7867 -0.0066 -0.0379 -0.0025 205 VAL a CA ? ? 1 +27060 C C A VAL U 195 0.2919 0.7994 0.7879 -0.0111 -0.0435 -0.0047 205 VAL a C ? ? 1 +27061 C C B VAL U 195 0.2918 0.7998 0.7885 -0.0112 -0.0435 -0.0046 205 VAL a C ? ? 1 +27062 O O A VAL U 195 0.2865 0.8004 0.7866 -0.0118 -0.0458 -0.0037 205 VAL a O ? ? 1 +27063 O O B VAL U 195 0.2863 0.8008 0.7871 -0.0118 -0.0457 -0.0036 205 VAL a O ? ? 1 +27064 C CB A VAL U 195 0.2835 0.7937 0.7848 -0.0062 -0.0341 0.0001 205 VAL a CB ? ? 1 +27065 C CB B VAL U 195 0.2838 0.7942 0.7856 -0.0064 -0.0342 0.0002 205 VAL a CB ? ? 1 +27066 C CG1 A VAL U 195 0.2861 0.7941 0.7837 -0.0015 -0.0287 0.0019 205 VAL a CG1 ? ? 1 +27067 C CG1 B VAL U 195 0.2856 0.7948 0.7844 -0.0016 -0.0288 0.0022 205 VAL a CG1 ? ? 1 +27068 C CG2 A VAL U 195 0.2820 0.7904 0.7874 -0.0094 -0.0351 -0.0012 205 VAL a CG2 ? ? 1 +27069 C CG2 B VAL U 195 0.2838 0.7912 0.7885 -0.0091 -0.0347 -0.0013 205 VAL a CG2 ? ? 1 +27070 N N A PHE U 196 0.2963 0.7991 0.7914 -0.0143 -0.0456 -0.0077 206 PHE a N ? ? 1 +27071 N N B PHE U 196 0.2965 0.7997 0.7920 -0.0144 -0.0458 -0.0076 206 PHE a N ? ? 1 +27072 C CA A PHE U 196 0.2962 0.8013 0.7946 -0.0187 -0.0511 -0.0103 206 PHE a CA ? ? 1 +27073 C CA B PHE U 196 0.2965 0.8021 0.7951 -0.0187 -0.0513 -0.0103 206 PHE a CA ? ? 1 +27074 C C A PHE U 196 0.3046 0.8079 0.7954 -0.0176 -0.0549 -0.0121 206 PHE a C ? ? 1 +27075 C C B PHE U 196 0.3054 0.8091 0.7962 -0.0174 -0.0550 -0.0120 206 PHE a C ? ? 1 +27076 O O A PHE U 196 0.3011 0.8107 0.7965 -0.0191 -0.0586 -0.0123 206 PHE a O ? ? 1 +27077 O O B PHE U 196 0.3022 0.8123 0.7975 -0.0187 -0.0586 -0.0120 206 PHE a O ? ? 1 +27078 C CB A PHE U 196 0.3016 0.8005 0.7987 -0.0224 -0.0525 -0.0136 206 PHE a CB ? ? 1 +27079 C CB B PHE U 196 0.3014 0.8011 0.7990 -0.0226 -0.0529 -0.0137 206 PHE a CB ? ? 1 +27080 C CG A PHE U 196 0.2926 0.7948 0.7992 -0.0256 -0.0510 -0.0127 206 PHE a CG ? ? 1 +27081 C CG B PHE U 196 0.2921 0.7948 0.7990 -0.0257 -0.0512 -0.0127 206 PHE a CG ? ? 1 +27082 C CD1 A PHE U 196 0.2799 0.7909 0.7963 -0.0254 -0.0492 -0.0094 206 PHE a CD1 ? ? 1 +27083 C CD1 B PHE U 196 0.2794 0.7908 0.7960 -0.0253 -0.0492 -0.0093 206 PHE a CD1 ? ? 1 +27084 C CD2 A PHE U 196 0.2980 0.7937 0.8031 -0.0289 -0.0512 -0.0152 206 PHE a CD2 ? ? 1 +27085 C CD2 B PHE U 196 0.2974 0.7937 0.8028 -0.0289 -0.0515 -0.0152 206 PHE a CD2 ? ? 1 +27086 C CE1 A PHE U 196 0.2728 0.7864 0.7971 -0.0281 -0.0478 -0.0086 206 PHE a CE1 ? ? 1 +27087 C CE1 B PHE U 196 0.2726 0.7862 0.7968 -0.0279 -0.0477 -0.0085 206 PHE a CE1 ? ? 1 +27088 C CE2 A PHE U 196 0.2912 0.7892 0.8042 -0.0317 -0.0496 -0.0142 206 PHE a CE2 ? ? 1 +27089 C CE2 B PHE U 196 0.2907 0.7890 0.8037 -0.0316 -0.0497 -0.0142 206 PHE a CE2 ? ? 1 +27090 C CZ A PHE U 196 0.2788 0.7857 0.8012 -0.0312 -0.0479 -0.0109 206 PHE a CZ ? ? 1 +27091 C CZ B PHE U 196 0.2785 0.7854 0.8007 -0.0310 -0.0478 -0.0108 206 PHE a CZ ? ? 1 +27092 N N A GLY U 197 0.3168 0.8113 0.7956 -0.0147 -0.0539 -0.0134 207 GLY a N ? ? 1 +27093 N N B GLY U 197 0.3182 0.8128 0.7970 -0.0147 -0.0541 -0.0134 207 GLY a N ? ? 1 +27094 C CA A GLY U 197 0.3265 0.8176 0.7961 -0.0130 -0.0572 -0.0151 207 GLY a CA ? ? 1 +27095 C CA B GLY U 197 0.3281 0.8193 0.7975 -0.0130 -0.0573 -0.0151 207 GLY a CA ? ? 1 +27096 C C A GLY U 197 0.3225 0.8190 0.7925 -0.0099 -0.0563 -0.0119 207 GLY a C ? ? 1 +27097 C C B GLY U 197 0.3241 0.8209 0.7944 -0.0099 -0.0564 -0.0118 207 GLY a C ? ? 1 +27098 O O A GLY U 197 0.3252 0.8233 0.7928 -0.0098 -0.0605 -0.0127 207 GLY a O ? ? 1 +27099 O O B GLY U 197 0.3262 0.8253 0.7950 -0.0100 -0.0606 -0.0126 207 GLY a O ? ? 1 +27100 N N A GLY U 198 0.3167 0.8156 0.7896 -0.0073 -0.0507 -0.0083 208 GLY a N ? ? 1 +27101 N N B GLY U 198 0.3191 0.8181 0.7918 -0.0072 -0.0508 -0.0082 208 GLY a N ? ? 1 +27102 C CA A GLY U 198 0.3126 0.8164 0.7866 -0.0047 -0.0491 -0.0050 208 GLY a CA ? ? 1 +27103 C CA B GLY U 198 0.3146 0.8188 0.7889 -0.0047 -0.0492 -0.0049 208 GLY a CA ? ? 1 +27104 C C A GLY U 198 0.3030 0.8159 0.7867 -0.0073 -0.0529 -0.0042 208 GLY a C ? ? 1 +27105 C C B GLY U 198 0.3050 0.8183 0.7894 -0.0074 -0.0529 -0.0041 208 GLY a C ? ? 1 +27106 O O A GLY U 198 0.3045 0.8190 0.7856 -0.0060 -0.0552 -0.0036 208 GLY a O ? ? 1 +27107 O O B GLY U 198 0.3058 0.8211 0.7880 -0.0061 -0.0550 -0.0034 208 GLY a O ? ? 1 +27108 N N A ALA U 199 0.2943 0.8125 0.7889 -0.0108 -0.0534 -0.0043 209 ALA a N ? ? 1 +27109 N N B ALA U 199 0.2972 0.8156 0.7922 -0.0109 -0.0534 -0.0043 209 ALA a N ? ? 1 +27110 C CA A ALA U 199 0.2859 0.8129 0.7907 -0.0134 -0.0567 -0.0039 209 ALA a CA ? ? 1 +27111 C CA B ALA U 199 0.2898 0.8168 0.7949 -0.0137 -0.0568 -0.0040 209 ALA a CA ? ? 1 +27112 C C A ALA U 199 0.2929 0.8195 0.7951 -0.0153 -0.0632 -0.0073 209 ALA a C ? ? 1 +27113 C C B ALA U 199 0.2975 0.8242 0.8002 -0.0156 -0.0633 -0.0075 209 ALA a C ? ? 1 +27114 O O A ALA U 199 0.2896 0.8216 0.7948 -0.0152 -0.0664 -0.0068 209 ALA a O ? ? 1 +27115 O O B ALA U 199 0.2936 0.8260 0.7999 -0.0157 -0.0665 -0.0070 209 ALA a O ? ? 1 +27116 C CB A ALA U 199 0.2761 0.8075 0.7917 -0.0168 -0.0554 -0.0035 209 ALA a CB ? ? 1 +27117 C CB B ALA U 199 0.2802 0.8115 0.7960 -0.0171 -0.0555 -0.0037 209 ALA a CB ? ? 1 +27118 N N A LEU U 200 0.3030 0.8231 0.7996 -0.0170 -0.0653 -0.0110 210 LEU a N ? ? 1 +27119 N N B LEU U 200 0.3090 0.8290 0.8056 -0.0171 -0.0654 -0.0111 210 LEU a N ? ? 1 +27120 C CA A LEU U 200 0.3114 0.8307 0.8051 -0.0188 -0.0717 -0.0148 210 LEU a CA ? ? 1 +27121 C CA B LEU U 200 0.3187 0.8378 0.8123 -0.0189 -0.0718 -0.0150 210 LEU a CA ? ? 1 +27122 C C A LEU U 200 0.3196 0.8368 0.8041 -0.0150 -0.0739 -0.0144 210 LEU a C ? ? 1 +27123 C C B LEU U 200 0.3277 0.8448 0.8122 -0.0151 -0.0740 -0.0146 210 LEU a C ? ? 1 +27124 O O A LEU U 200 0.3185 0.8409 0.8059 -0.0153 -0.0785 -0.0150 210 LEU a O ? ? 1 +27125 O O B LEU U 200 0.3275 0.8496 0.8147 -0.0155 -0.0788 -0.0153 210 LEU a O ? ? 1 +27126 C CB A LEU U 200 0.3220 0.8329 0.8093 -0.0208 -0.0726 -0.0187 210 LEU a CB ? ? 1 +27127 C CB B LEU U 200 0.3298 0.8402 0.8166 -0.0208 -0.0728 -0.0189 210 LEU a CB ? ? 1 +27128 C CG A LEU U 200 0.3280 0.8393 0.8161 -0.0246 -0.0792 -0.0233 210 LEU a CG ? ? 1 +27129 C CG B LEU U 200 0.3358 0.8469 0.8236 -0.0246 -0.0794 -0.0235 210 LEU a CG ? ? 1 +27130 C CD1 A LEU U 200 0.3382 0.8405 0.8200 -0.0267 -0.0793 -0.0269 210 LEU a CD1 ? ? 1 +27131 C CD1 B LEU U 200 0.3459 0.8481 0.8278 -0.0270 -0.0795 -0.0271 210 LEU a CD1 ? ? 1 +27132 C CD2 A LEU U 200 0.3354 0.8468 0.8170 -0.0223 -0.0842 -0.0246 210 LEU a CD2 ? ? 1 +27133 C CD2 B LEU U 200 0.3439 0.8548 0.8249 -0.0223 -0.0844 -0.0249 210 LEU a CD2 ? ? 1 +27134 N N A PHE U 201 0.3283 0.8377 0.8015 -0.0112 -0.0705 -0.0135 211 PHE a N ? ? 1 +27135 N N B PHE U 201 0.3367 0.8464 0.8103 -0.0111 -0.0704 -0.0133 211 PHE a N ? ? 1 +27136 C CA A PHE U 201 0.3376 0.8431 0.8000 -0.0074 -0.0722 -0.0132 211 PHE a CA ? ? 1 +27137 C CA B PHE U 201 0.3463 0.8521 0.8091 -0.0074 -0.0721 -0.0130 211 PHE a CA ? ? 1 +27138 C C A PHE U 201 0.3303 0.8420 0.7966 -0.0053 -0.0711 -0.0094 211 PHE a C ? ? 1 +27139 C C B PHE U 201 0.3381 0.8502 0.8049 -0.0053 -0.0709 -0.0091 211 PHE a C ? ? 1 +27140 O O A PHE U 201 0.3359 0.8471 0.7967 -0.0032 -0.0745 -0.0094 211 PHE a O ? ? 1 +27141 O O B PHE U 201 0.3441 0.8555 0.8050 -0.0031 -0.0741 -0.0091 211 PHE a O ? ? 1 +27142 C CB A PHE U 201 0.3487 0.8442 0.7983 -0.0040 -0.0680 -0.0130 211 PHE a CB ? ? 1 +27143 C CB B PHE U 201 0.3584 0.8542 0.8083 -0.0040 -0.0680 -0.0129 211 PHE a CB ? ? 1 +27144 C CG A PHE U 201 0.3579 0.8459 0.8019 -0.0057 -0.0694 -0.0171 211 PHE a CG ? ? 1 +27145 C CG B PHE U 201 0.3680 0.8565 0.8128 -0.0058 -0.0691 -0.0168 211 PHE a CG ? ? 1 +27146 C CD1 A PHE U 201 0.3637 0.8509 0.8067 -0.0086 -0.0760 -0.0213 211 PHE a CD1 ? ? 1 +27147 C CD1 B PHE U 201 0.3741 0.8618 0.8184 -0.0088 -0.0755 -0.0211 211 PHE a CD1 ? ? 1 +27148 C CD2 A PHE U 201 0.3616 0.8433 0.8013 -0.0045 -0.0642 -0.0167 211 PHE a CD2 ? ? 1 +27149 C CD2 B PHE U 201 0.3718 0.8541 0.8122 -0.0043 -0.0637 -0.0163 211 PHE a CD2 ? ? 1 +27150 C CE1 A PHE U 201 0.3727 0.8525 0.8105 -0.0105 -0.0772 -0.0251 211 PHE a CE1 ? ? 1 +27151 C CE1 B PHE U 201 0.3826 0.8630 0.8219 -0.0108 -0.0764 -0.0247 211 PHE a CE1 ? ? 1 +27152 C CE2 A PHE U 201 0.3707 0.8447 0.8047 -0.0060 -0.0654 -0.0204 211 PHE a CE2 ? ? 1 +27153 C CE2 B PHE U 201 0.3804 0.8552 0.8156 -0.0059 -0.0647 -0.0199 211 PHE a CE2 ? ? 1 +27154 C CZ A PHE U 201 0.3763 0.8492 0.8093 -0.0092 -0.0719 -0.0246 211 PHE a CZ ? ? 1 +27155 C CZ B PHE U 201 0.3857 0.8593 0.8202 -0.0093 -0.0710 -0.0240 211 PHE a CZ ? ? 1 +27156 N N A CYS U 202 0.3184 0.8357 0.7942 -0.0058 -0.0664 -0.0061 212 CYS a N ? ? 1 +27157 N N B CYS U 202 0.3252 0.8431 0.8018 -0.0059 -0.0664 -0.0059 212 CYS a N ? ? 1 +27158 C CA A CYS U 202 0.3103 0.8341 0.7917 -0.0046 -0.0652 -0.0025 212 CYS a CA ? ? 1 +27159 C CA B CYS U 202 0.3168 0.8410 0.7987 -0.0046 -0.0651 -0.0024 212 CYS a CA ? ? 1 +27160 C C A CYS U 202 0.3079 0.8383 0.7956 -0.0064 -0.0715 -0.0039 212 CYS a C ? ? 1 +27161 C C B CYS U 202 0.3152 0.8459 0.8033 -0.0064 -0.0714 -0.0037 212 CYS a C ? ? 1 +27162 O O A CYS U 202 0.3110 0.8417 0.7945 -0.0041 -0.0739 -0.0030 212 CYS a O ? ? 1 +27163 O O B CYS U 202 0.3179 0.8488 0.8016 -0.0040 -0.0738 -0.0028 212 CYS a O ? ? 1 +27164 C CB A CYS U 202 0.2970 0.8259 0.7884 -0.0055 -0.0598 0.0005 212 CYS a CB ? ? 1 +27165 C CB B CYS U 202 0.3023 0.8317 0.7943 -0.0055 -0.0597 0.0007 212 CYS a CB ? ? 1 +27166 S SG A CYS U 202 0.2863 0.8226 0.7845 -0.0041 -0.0576 0.0050 212 CYS a SG ? ? 1 +27167 S SG B CYS U 202 0.2907 0.8275 0.7895 -0.0042 -0.0577 0.0051 212 CYS a SG ? ? 1 +27168 N N A ALA U 203 0.3034 0.8389 0.8011 -0.0106 -0.0739 -0.0060 213 ALA a N ? ? 1 +27169 N N B ALA U 203 0.3119 0.8476 0.8097 -0.0105 -0.0740 -0.0059 213 ALA a N ? ? 1 +27170 C CA A ALA U 203 0.3014 0.8439 0.8064 -0.0127 -0.0798 -0.0078 213 ALA a CA ? ? 1 +27171 C CA B ALA U 203 0.3115 0.8541 0.8164 -0.0126 -0.0799 -0.0077 213 ALA a CA ? ? 1 +27172 C C A ALA U 203 0.3152 0.8539 0.8112 -0.0114 -0.0860 -0.0111 213 ALA a C ? ? 1 +27173 C C B ALA U 203 0.3269 0.8656 0.8225 -0.0111 -0.0860 -0.0108 213 ALA a C ? ? 1 +27174 O O A ALA U 203 0.3152 0.8581 0.8126 -0.0104 -0.0904 -0.0113 213 ALA a O ? ? 1 +27175 O O B ALA U 203 0.3271 0.8696 0.8234 -0.0097 -0.0900 -0.0107 213 ALA a O ? ? 1 +27176 C CB A ALA U 203 0.2938 0.8413 0.8101 -0.0176 -0.0807 -0.0098 213 ALA a CB ? ? 1 +27177 C CB B ALA U 203 0.3046 0.8518 0.8202 -0.0175 -0.0811 -0.0101 213 ALA a CB ? ? 1 +27178 N N A MET U 204 0.3288 0.8593 0.8153 -0.0113 -0.0862 -0.0137 214 MET a N ? ? 1 +27179 N N B MET U 204 0.3429 0.8736 0.8293 -0.0111 -0.0865 -0.0136 214 MET a N ? ? 1 +27180 C CA A MET U 204 0.3436 0.8694 0.8206 -0.0103 -0.0921 -0.0172 214 MET a CA ? ? 1 +27181 C CA B MET U 204 0.3602 0.8864 0.8373 -0.0102 -0.0925 -0.0172 214 MET a CA ? ? 1 +27182 C C A MET U 204 0.3501 0.8729 0.8173 -0.0054 -0.0929 -0.0151 214 MET a C ? ? 1 +27183 C C B MET U 204 0.3661 0.8888 0.8327 -0.0052 -0.0932 -0.0152 214 MET a C ? ? 1 +27184 O O A MET U 204 0.3526 0.8783 0.8192 -0.0044 -0.0987 -0.0164 214 MET a O ? ? 1 +27185 O O B MET U 204 0.3698 0.8943 0.8344 -0.0041 -0.0992 -0.0168 214 MET a O ? ? 1 +27186 C CB A MET U 204 0.3565 0.8729 0.8243 -0.0109 -0.0910 -0.0199 214 MET a CB ? ? 1 +27187 C CB B MET U 204 0.3763 0.8933 0.8447 -0.0110 -0.0916 -0.0201 214 MET a CB ? ? 1 +27188 C CG A MET U 204 0.3709 0.8837 0.8322 -0.0118 -0.0978 -0.0249 214 MET a CG ? ? 1 +27189 C CG B MET U 204 0.3931 0.9071 0.8557 -0.0120 -0.0985 -0.0250 214 MET a CG ? ? 1 +27190 S SD A MET U 204 0.3689 0.8896 0.8440 -0.0183 -0.1029 -0.0292 214 MET a SD ? ? 1 +27191 S SD B MET U 204 0.3935 0.9179 0.8718 -0.0180 -0.1039 -0.0286 214 MET a SD ? ? 1 +27192 C CE A MET U 204 0.3800 0.9008 0.8492 -0.0173 -0.1121 -0.0335 214 MET a CE ? ? 1 +27193 C CE B MET U 204 0.4079 0.9301 0.8783 -0.0174 -0.1130 -0.0337 214 MET a CE ? ? 1 +27194 N N A HIS U 205 0.3526 0.8697 0.8121 -0.0021 -0.0869 -0.0118 215 HIS a N ? ? 1 +27195 N N B HIS U 205 0.3668 0.8841 0.8264 -0.0021 -0.0870 -0.0117 215 HIS a N ? ? 1 +27196 C CA A HIS U 205 0.3599 0.8727 0.8089 0.0025 -0.0864 -0.0094 215 HIS a CA ? ? 1 +27197 C CA B HIS U 205 0.3727 0.8858 0.8219 0.0026 -0.0864 -0.0092 215 HIS a CA ? ? 1 +27198 C C A HIS U 205 0.3532 0.8737 0.8096 0.0032 -0.0879 -0.0068 215 HIS a C ? ? 1 +27199 C C B HIS U 205 0.3661 0.8870 0.8231 0.0032 -0.0876 -0.0066 215 HIS a C ? ? 1 +27200 O O A HIS U 205 0.3610 0.8802 0.8110 0.0060 -0.0919 -0.0068 215 HIS a O ? ? 1 +27201 O O B HIS U 205 0.3742 0.8937 0.8248 0.0061 -0.0913 -0.0063 215 HIS a O ? ? 1 +27202 C CB A HIS U 205 0.3612 0.8677 0.8028 0.0052 -0.0787 -0.0062 215 HIS a CB ? ? 1 +27203 C CB B HIS U 205 0.3727 0.8793 0.8145 0.0052 -0.0787 -0.0062 215 HIS a CB ? ? 1 +27204 C CG A HIS U 205 0.3685 0.8698 0.7986 0.0097 -0.0774 -0.0036 215 HIS a CG ? ? 1 +27205 C CG B HIS U 205 0.3784 0.8797 0.8086 0.0097 -0.0771 -0.0035 215 HIS a CG ? ? 1 +27206 N ND1 A HIS U 205 0.3828 0.8768 0.7993 0.0123 -0.0817 -0.0058 215 HIS a ND1 ? ? 1 +27207 N ND1 B HIS U 205 0.3927 0.8864 0.8091 0.0124 -0.0811 -0.0055 215 HIS a ND1 ? ? 1 +27208 C CD2 A HIS U 205 0.3644 0.8665 0.7946 0.0118 -0.0723 0.0008 215 HIS a CD2 ? ? 1 +27209 C CD2 B HIS U 205 0.3735 0.8756 0.8040 0.0117 -0.0718 0.0009 215 HIS a CD2 ? ? 1 +27210 C CE1 A HIS U 205 0.3880 0.8782 0.7963 0.0160 -0.0790 -0.0024 215 HIS a CE1 ? ? 1 +27211 C CE1 B HIS U 205 0.3973 0.8870 0.8053 0.0161 -0.0780 -0.0022 215 HIS a CE1 ? ? 1 +27212 N NE2 A HIS U 205 0.3768 0.8718 0.7932 0.0157 -0.0732 0.0015 215 HIS a NE2 ? ? 1 +27213 N NE2 B HIS U 205 0.3850 0.8797 0.8014 0.0157 -0.0722 0.0018 215 HIS a NE2 ? ? 1 +27214 N N A GLY U 206 0.3404 0.8685 0.8099 0.0009 -0.0846 -0.0046 216 GLY a N ? ? 1 +27215 N N B GLY U 206 0.3534 0.8821 0.8238 0.0007 -0.0847 -0.0046 216 GLY a N ? ? 1 +27216 C CA A GLY U 206 0.3329 0.8686 0.8106 0.0012 -0.0857 -0.0022 216 GLY a CA ? ? 1 +27217 C CA B GLY U 206 0.3459 0.8821 0.8246 0.0010 -0.0855 -0.0022 216 GLY a CA ? ? 1 +27218 C C A GLY U 206 0.3349 0.8760 0.8169 0.0003 -0.0937 -0.0053 216 GLY a C ? ? 1 +27219 C C B GLY U 206 0.3486 0.8903 0.8317 0.0001 -0.0934 -0.0051 216 GLY a C ? ? 1 +27220 O O A GLY U 206 0.3372 0.8801 0.8178 0.0029 -0.0965 -0.0040 216 GLY a O ? ? 1 +27221 O O B GLY U 206 0.3517 0.8951 0.8334 0.0027 -0.0961 -0.0038 216 GLY a O ? ? 1 +27222 N N A SER U 207 0.3352 0.8788 0.8226 -0.0034 -0.0972 -0.0094 217 SER a N ? ? 1 +27223 N N B SER U 207 0.3490 0.8932 0.8374 -0.0035 -0.0971 -0.0092 217 SER a N ? ? 1 +27224 C CA A SER U 207 0.3352 0.8855 0.8290 -0.0048 -0.1046 -0.0127 217 SER a CA ? ? 1 +27225 C CA B SER U 207 0.3492 0.9000 0.8437 -0.0049 -0.1044 -0.0125 217 SER a CA ? ? 1 +27226 C C A SER U 207 0.3517 0.8968 0.8334 -0.0016 -0.1107 -0.0151 217 SER a C ? ? 1 +27227 C C B SER U 207 0.3676 0.9132 0.8500 -0.0016 -0.1105 -0.0149 217 SER a C ? ? 1 +27228 O O A SER U 207 0.3535 0.9033 0.8375 -0.0003 -0.1163 -0.0162 217 SER a O ? ? 1 +27229 O O B SER U 207 0.3705 0.9210 0.8555 -0.0003 -0.1160 -0.0158 217 SER a O ? ? 1 +27230 C CB A SER U 207 0.3292 0.8839 0.8329 -0.0102 -0.1060 -0.0163 217 SER a CB ? ? 1 +27231 C CB B SER U 207 0.3425 0.8975 0.8466 -0.0102 -0.1060 -0.0163 217 SER a CB ? ? 1 +27232 O OG A SER U 207 0.3384 0.8856 0.8341 -0.0113 -0.1065 -0.0195 217 SER a OG ? ? 1 +27233 O OG B SER U 207 0.3516 0.8988 0.8471 -0.0111 -0.1067 -0.0194 217 SER a OG ? ? 1 +27234 N N A LEU U 208 0.3658 0.9008 0.8341 0.0000 -0.1095 -0.0160 218 LEU a N ? ? 1 +27235 N N B LEU U 208 0.3839 0.9195 0.8528 0.0001 -0.1094 -0.0158 218 LEU a N ? ? 1 +27236 C CA A LEU U 208 0.3823 0.9113 0.8379 0.0031 -0.1153 -0.0186 218 LEU a CA ? ? 1 +27237 C CA B LEU U 208 0.4019 0.9316 0.8582 0.0032 -0.1153 -0.0183 218 LEU a CA ? ? 1 +27238 C C A LEU U 208 0.3889 0.9148 0.8357 0.0084 -0.1153 -0.0151 218 LEU a C ? ? 1 +27239 C C B LEU U 208 0.4063 0.9326 0.8535 0.0085 -0.1152 -0.0149 218 LEU a C ? ? 1 +27240 O O A LEU U 208 0.3954 0.9222 0.8387 0.0108 -0.1218 -0.0167 218 LEU a O ? ? 1 +27241 O O B LEU U 208 0.4133 0.9400 0.8564 0.0110 -0.1217 -0.0165 218 LEU a O ? ? 1 +27242 C CB A LEU U 208 0.3943 0.9128 0.8375 0.0034 -0.1136 -0.0205 218 LEU a CB ? ? 1 +27243 C CB B LEU U 208 0.4176 0.9370 0.8618 0.0034 -0.1139 -0.0204 218 LEU a CB ? ? 1 +27244 C CG A LEU U 208 0.3941 0.9136 0.8426 -0.0014 -0.1157 -0.0250 218 LEU a CG ? ? 1 +27245 C CG B LEU U 208 0.4205 0.9412 0.8705 -0.0016 -0.1158 -0.0249 218 LEU a CG ? ? 1 +27246 C CD1 A LEU U 208 0.4065 0.9147 0.8418 -0.0006 -0.1134 -0.0265 218 LEU a CD1 ? ? 1 +27247 C CD1 B LEU U 208 0.4353 0.9452 0.8734 -0.0011 -0.1128 -0.0260 218 LEU a CD1 ? ? 1 +27248 C CD2 A LEU U 208 0.3963 0.9213 0.8492 -0.0032 -0.1245 -0.0298 218 LEU a CD2 ? ? 1 +27249 C CD2 B LEU U 208 0.4233 0.9486 0.8765 -0.0032 -0.1248 -0.0299 218 LEU a CD2 ? ? 1 +27250 N N A VAL U 209 0.3882 0.9104 0.8315 0.0102 -0.1079 -0.0105 219 VAL a N ? ? 1 +27251 N N B VAL U 209 0.4033 0.9259 0.8471 0.0103 -0.1078 -0.0102 219 VAL a N ? ? 1 +27252 C CA A VAL U 209 0.3941 0.9128 0.8295 0.0148 -0.1067 -0.0068 219 VAL a CA ? ? 1 +27253 C CA B VAL U 209 0.4067 0.9259 0.8427 0.0148 -0.1065 -0.0064 219 VAL a CA ? ? 1 +27254 C C A VAL U 209 0.3870 0.9150 0.8330 0.0148 -0.1102 -0.0058 219 VAL a C ? ? 1 +27255 C C B VAL U 209 0.3984 0.9267 0.8450 0.0149 -0.1098 -0.0053 219 VAL a C ? ? 1 +27256 O O A VAL U 209 0.3947 0.9212 0.8344 0.0185 -0.1145 -0.0054 219 VAL a O ? ? 1 +27257 O O B VAL U 209 0.4063 0.9330 0.8464 0.0186 -0.1140 -0.0050 219 VAL a O ? ? 1 +27258 C CB A VAL U 209 0.3912 0.9052 0.8228 0.0159 -0.0975 -0.0021 219 VAL a CB ? ? 1 +27259 C CB B VAL U 209 0.4024 0.9168 0.8347 0.0159 -0.0972 -0.0018 219 VAL a CB ? ? 1 +27260 C CG1 A VAL U 209 0.3932 0.9052 0.8194 0.0197 -0.0958 0.0021 219 VAL a CG1 ? ? 1 +27261 C CG1 B VAL U 209 0.4041 0.9162 0.8307 0.0197 -0.0953 0.0024 219 VAL a CG1 ? ? 1 +27262 C CG2 A VAL U 209 0.4021 0.9060 0.8210 0.0170 -0.0942 -0.0030 219 VAL a CG2 ? ? 1 +27263 C CG2 B VAL U 209 0.4128 0.9173 0.8325 0.0169 -0.0940 -0.0028 219 VAL a CG2 ? ? 1 +27264 N N A THR U 210 0.3750 0.9122 0.8368 0.0110 -0.1082 -0.0053 220 THR a N ? ? 1 +27265 N N B THR U 210 0.3858 0.9232 0.8480 0.0111 -0.1077 -0.0048 220 THR a N ? ? 1 +27266 C CA A THR U 210 0.3695 0.9159 0.8424 0.0108 -0.1111 -0.0045 220 THR a CA ? ? 1 +27267 C CA B THR U 210 0.3805 0.9272 0.8540 0.0109 -0.1105 -0.0040 220 THR a CA ? ? 1 +27268 C C A THR U 210 0.3782 0.9290 0.8531 0.0111 -0.1202 -0.0089 220 THR a C ? ? 1 +27269 C C B THR U 210 0.3895 0.9409 0.8653 0.0112 -0.1196 -0.0083 220 THR a C ? ? 1 +27270 O O A THR U 210 0.3779 0.9325 0.8547 0.0136 -0.1241 -0.0083 220 THR a O ? ? 1 +27271 O O B THR U 210 0.3894 0.9446 0.8673 0.0136 -0.1233 -0.0076 220 THR a O ? ? 1 +27272 C CB A THR U 210 0.3528 0.9075 0.8415 0.0064 -0.1069 -0.0035 220 THR a CB ? ? 1 +27273 C CB B THR U 210 0.3636 0.9186 0.8528 0.0065 -0.1064 -0.0031 220 THR a CB ? ? 1 +27274 O OG1 A THR U 210 0.3500 0.9009 0.8366 0.0068 -0.0989 0.0006 220 THR a OG1 ? ? 1 +27275 O OG1 B THR U 210 0.3607 0.9123 0.8482 0.0070 -0.0984 0.0013 220 THR a OG1 ? ? 1 +27276 C CG2 A THR U 210 0.3427 0.9074 0.8437 0.0059 -0.1098 -0.0031 220 THR a CG2 ? ? 1 +27277 C CG2 B THR U 210 0.3534 0.9186 0.8553 0.0058 -0.1096 -0.0029 220 THR a CG2 ? ? 1 +27278 N N A SER U 211 0.3875 0.9376 0.8616 0.0086 -0.1238 -0.0135 221 SER a N ? ? 1 +27279 N N B SER U 211 0.3982 0.9491 0.8735 0.0087 -0.1233 -0.0129 221 SER a N ? ? 1 +27280 C CA A SER U 211 0.3959 0.9512 0.8733 0.0082 -0.1325 -0.0182 221 SER a CA ? ? 1 +27281 C CA B SER U 211 0.4064 0.9629 0.8856 0.0083 -0.1320 -0.0176 221 SER a CA ? ? 1 +27282 C C A SER U 211 0.4168 0.9659 0.8801 0.0137 -0.1382 -0.0188 221 SER a C ? ? 1 +27283 C C B SER U 211 0.4299 0.9797 0.8945 0.0134 -0.1379 -0.0188 221 SER a C ? ? 1 +27284 O O A SER U 211 0.4205 0.9750 0.8869 0.0147 -0.1457 -0.0218 221 SER a O ? ? 1 +27285 O O B SER U 211 0.4351 0.9900 0.9024 0.0142 -0.1457 -0.0222 221 SER a O ? ? 1 +27286 C CB A SER U 211 0.3975 0.9527 0.8771 0.0039 -0.1345 -0.0230 221 SER a CB ? ? 1 +27287 C CB B SER U 211 0.4031 0.9619 0.8882 0.0031 -0.1337 -0.0222 221 SER a CB ? ? 1 +27288 O OG A SER U 211 0.4133 0.9577 0.8768 0.0062 -0.1358 -0.0245 221 SER a OG ? ? 1 +27289 O OG B SER U 211 0.4167 0.9652 0.8888 0.0036 -0.1328 -0.0236 221 SER a OG ? ? 1 +27290 N N A SER U 212 0.4322 0.9701 0.8800 0.0172 -0.1344 -0.0161 222 SER a N ? ? 1 +27291 N N B SER U 212 0.4462 0.9848 0.8952 0.0169 -0.1342 -0.0160 222 SER a N ? ? 1 +27292 C CA A SER U 212 0.4539 0.9840 0.8860 0.0225 -0.1392 -0.0166 222 SER a CA ? ? 1 +27293 C CA B SER U 212 0.4699 1.0006 0.9031 0.0221 -0.1391 -0.0168 222 SER a CA ? ? 1 +27294 C C A SER U 212 0.4625 0.9872 0.8860 0.0273 -0.1356 -0.0113 222 SER a C ? ? 1 +27295 C C B SER U 212 0.4792 1.0042 0.9031 0.0271 -0.1360 -0.0116 222 SER a C ? ? 1 +27296 O O A SER U 212 0.4746 0.9892 0.8816 0.0316 -0.1364 -0.0105 222 SER a O ? ? 1 +27297 O O B SER U 212 0.4902 1.0052 0.8976 0.0314 -0.1371 -0.0110 222 SER a O ? ? 1 +27298 C CB A SER U 212 0.4686 0.9884 0.8870 0.0228 -0.1390 -0.0189 222 SER a CB ? ? 1 +27299 C CB B SER U 212 0.4860 1.0066 0.9060 0.0221 -0.1387 -0.0191 222 SER a CB ? ? 1 +27300 O OG A SER U 212 0.4696 0.9836 0.8846 0.0217 -0.1300 -0.0158 222 SER a OG ? ? 1 +27301 O OG B SER U 212 0.4908 1.0059 0.9078 0.0210 -0.1297 -0.0159 222 SER a OG ? ? 1 +27302 N N A LEU U 213 0.4591 0.9902 0.8936 0.0263 -0.1317 -0.0079 223 LEU a N ? ? 1 +27303 N N B LEU U 213 0.4787 1.0099 0.9131 0.0263 -0.1320 -0.0081 223 LEU a N ? ? 1 +27304 C CA A LEU U 213 0.4683 0.9954 0.8965 0.0304 -0.1289 -0.0031 223 LEU a CA ? ? 1 +27305 C CA B LEU U 213 0.4892 1.0162 0.9169 0.0305 -0.1295 -0.0034 223 LEU a CA ? ? 1 +27306 C C A LEU U 213 0.4864 1.0130 0.9085 0.0351 -0.1372 -0.0045 223 LEU a C ? ? 1 +27307 C C B LEU U 213 0.5090 1.0356 0.9307 0.0352 -0.1378 -0.0048 223 LEU a C ? ? 1 +27308 O O A LEU U 213 0.4819 1.0178 0.9142 0.0342 -0.1439 -0.0079 223 LEU a O ? ? 1 +27309 O O B LEU U 213 0.5055 1.0411 0.9370 0.0342 -0.1447 -0.0084 223 LEU a O ? ? 1 +27310 C CB A LEU U 213 0.4520 0.9872 0.8947 0.0282 -0.1243 0.0001 223 LEU a CB ? ? 1 +27311 C CB B LEU U 213 0.4723 1.0073 0.9143 0.0284 -0.1249 -0.0001 223 LEU a CB ? ? 1 +27312 C CG A LEU U 213 0.4411 0.9774 0.8906 0.0240 -0.1161 0.0020 223 LEU a CG ? ? 1 +27313 C CG B LEU U 213 0.4609 0.9967 0.9093 0.0244 -0.1165 0.0020 223 LEU a CG ? ? 1 +27314 C CD1 A LEU U 213 0.4276 0.9712 0.8897 0.0226 -0.1122 0.0053 223 LEU a CD1 ? ? 1 +27315 C CD1 B LEU U 213 0.4462 0.9901 0.9084 0.0227 -0.1130 0.0049 223 LEU a CD1 ? ? 1 +27316 C CD2 A LEU U 213 0.4504 0.9755 0.8859 0.0258 -0.1098 0.0046 223 LEU a CD2 ? ? 1 +27317 C CD2 B LEU U 213 0.4702 0.9947 0.9044 0.0265 -0.1100 0.0050 223 LEU a CD2 ? ? 1 +27318 N N A ILE U 214 0.5088 1.0246 0.9141 0.0401 -0.1365 -0.0018 224 ILE a N ? ? 1 +27319 N N B ILE U 214 0.5320 1.0481 0.9375 0.0403 -0.1369 -0.0019 224 ILE a N ? ? 1 +27320 C CA A ILE U 214 0.5277 1.0414 0.9250 0.0454 -0.1440 -0.0025 224 ILE a CA ? ? 1 +27321 C CA B ILE U 214 0.5522 1.0660 0.9495 0.0456 -0.1443 -0.0025 224 ILE a CA ? ? 1 +27322 C C A ILE U 214 0.5273 1.0482 0.9348 0.0464 -0.1443 0.0001 224 ILE a C ? ? 1 +27323 C C B ILE U 214 0.5516 1.0726 0.9593 0.0465 -0.1444 0.0001 224 ILE a C ? ? 1 +27324 O O A ILE U 214 0.5181 1.0389 0.9297 0.0452 -0.1369 0.0043 224 ILE a O ? ? 1 +27325 O O B ILE U 214 0.5409 1.0621 0.9529 0.0451 -0.1370 0.0043 224 ILE a O ? ? 1 +27326 C CB A ILE U 214 0.5461 1.0447 0.9213 0.0504 -0.1423 -0.0001 224 ILE a CB ? ? 1 +27327 C CB B ILE U 214 0.5718 1.0705 0.9468 0.0506 -0.1425 -0.0001 224 ILE a CB ? ? 1 +27328 C CG1 A ILE U 214 0.5561 1.0479 0.9212 0.0495 -0.1426 -0.0032 224 ILE a CG1 ? ? 1 +27329 C CG1 B ILE U 214 0.5819 1.0736 0.9468 0.0497 -0.1428 -0.0031 224 ILE a CG1 ? ? 1 +27330 C CG2 A ILE U 214 0.5580 1.0532 0.9236 0.0565 -0.1495 -0.0001 224 ILE a CG2 ? ? 1 +27331 C CG2 B ILE U 214 0.5846 1.0795 0.9496 0.0567 -0.1497 0.0000 224 ILE a CG2 ? ? 1 +27332 C CD1 A ILE U 214 0.5691 1.0465 0.9154 0.0525 -0.1364 0.0001 224 ILE a CD1 ? ? 1 +27333 C CD1 B ILE U 214 0.5954 1.0723 0.9407 0.0529 -0.1368 0.0002 224 ILE a CD1 ? ? 1 +27334 N N A ARG U 215 0.5408 1.0681 0.9529 0.0486 -0.1529 -0.0028 225 ARG a N ? ? 1 +27335 N N B ARG U 215 0.5671 1.0944 0.9790 0.0489 -0.1530 -0.0027 225 ARG a N ? ? 1 +27336 C CA A ARG U 215 0.5426 1.0772 0.9646 0.0500 -0.1541 -0.0010 225 ARG a CA ? ? 1 +27337 C CA B ARG U 215 0.5699 1.1044 0.9917 0.0503 -0.1543 -0.0008 225 ARG a CA ? ? 1 +27338 C C A ARG U 215 0.5604 1.0848 0.9690 0.0551 -0.1510 0.0042 225 ARG a C ? ? 1 +27339 C C B ARG U 215 0.5845 1.1087 0.9927 0.0554 -0.1512 0.0043 225 ARG a C ? ? 1 +27340 O O A ARG U 215 0.5783 1.0943 0.9718 0.0605 -0.1557 0.0041 225 ARG a O ? ? 1 +27341 O O B ARG U 215 0.6032 1.1196 0.9969 0.0609 -0.1561 0.0041 225 ARG a O ? ? 1 +27342 C CB A ARG U 215 0.5457 1.0892 0.9746 0.0517 -0.1645 -0.0057 225 ARG a CB ? ? 1 +27343 C CB B ARG U 215 0.5758 1.1195 1.0048 0.0520 -0.1647 -0.0056 225 ARG a CB ? ? 1 +27344 C CG A ARG U 215 0.5411 1.0923 0.9802 0.0536 -0.1663 -0.0041 225 ARG a CG ? ? 1 +27345 C CG B ARG U 215 0.5753 1.1268 1.0146 0.0539 -0.1666 -0.0041 225 ARG a CG ? ? 1 +27346 C CD A ARG U 215 0.5423 1.1053 0.9924 0.0542 -0.1758 -0.0094 225 ARG a CD ? ? 1 +27347 C CD B ARG U 215 0.5800 1.1434 1.0305 0.0544 -0.1761 -0.0093 225 ARG a CD ? ? 1 +27348 N NE A ARG U 215 0.5629 1.1207 1.0001 0.0589 -0.1842 -0.0125 225 ARG a NE ? ? 1 +27349 N NE B ARG U 215 0.6041 1.1627 1.0423 0.0589 -0.1845 -0.0127 225 ARG a NE ? ? 1 +27350 C CZ A ARG U 215 0.5693 1.1307 1.0081 0.0570 -0.1901 -0.0180 225 ARG a CZ ? ? 1 +27351 C CZ B ARG U 215 0.6139 1.1756 1.0534 0.0567 -0.1898 -0.0180 225 ARG a CZ ? ? 1 +27352 N NH1 A ARG U 215 0.5564 1.1266 1.0094 0.0504 -0.1886 -0.0211 225 ARG a NH1 ? ? 1 +27353 N NH1 B ARG U 215 0.5999 1.1697 1.0530 0.0500 -0.1877 -0.0208 225 ARG a NH1 ? ? 1 +27354 N NH2 A ARG U 215 0.5884 1.1438 1.0137 0.0619 -0.1976 -0.0205 225 ARG a NH2 ? ? 1 +27355 N NH2 B ARG U 215 0.6358 1.1917 1.0620 0.0613 -0.1973 -0.0206 225 ARG a NH2 ? ? 1 +27356 N N A GLU U 216 0.5629 1.0876 0.9769 0.0533 -0.1432 0.0086 226 GLU a N ? ? 1 +27357 N N B GLU U 216 0.5849 1.1089 0.9978 0.0536 -0.1430 0.0088 226 GLU a N ? ? 1 +27358 C CA A GLU U 216 0.5806 1.0960 0.9836 0.0572 -0.1391 0.0138 226 GLU a CA ? ? 1 +27359 C CA B GLU U 216 0.5992 1.1141 1.0015 0.0575 -0.1392 0.0139 226 GLU a CA ? ? 1 +27360 C C A GLU U 216 0.5755 1.0983 0.9911 0.0568 -0.1377 0.0161 226 GLU a C ? ? 1 +27361 C C B GLU U 216 0.5906 1.1131 1.0055 0.0573 -0.1384 0.0161 226 GLU a C ? ? 1 +27362 O O A GLU U 216 0.5795 1.0954 0.9878 0.0597 -0.1344 0.0204 226 GLU a O ? ? 1 +27363 O O B GLU U 216 0.5927 1.1086 0.9998 0.0610 -0.1365 0.0199 226 GLU a O ? ? 1 +27364 C CB A GLU U 216 0.5864 1.0928 0.9813 0.0553 -0.1292 0.0175 226 GLU a CB ? ? 1 +27365 C CB B GLU U 216 0.6053 1.1112 0.9996 0.0557 -0.1292 0.0178 226 GLU a CB ? ? 1 +27366 C CG A GLU U 216 0.6032 1.1006 0.9839 0.0560 -0.1293 0.0158 226 GLU a CG ? ? 1 +27367 C CG B GLU U 216 0.6215 1.1193 1.0033 0.0556 -0.1284 0.0162 226 GLU a CG ? ? 1 +27368 C CD A GLU U 216 0.6298 1.1144 0.9897 0.0623 -0.1324 0.0169 226 GLU a CD ? ? 1 +27369 C CD B GLU U 216 0.6511 1.1365 1.0121 0.0616 -0.1325 0.0162 226 GLU a CD ? ? 1 +27370 O OE1 A GLU U 216 0.6401 1.1225 0.9964 0.0662 -0.1345 0.0192 226 GLU a OE1 ? ? 1 +27371 O OE1 B GLU U 216 0.6662 1.1501 1.0227 0.0662 -0.1377 0.0169 226 GLU a OE1 ? ? 1 +27372 O OE2 A GLU U 216 0.6470 1.1234 0.9938 0.0634 -0.1327 0.0155 226 GLU a OE2 ? ? 1 +27373 O OE2 B GLU U 216 0.6675 1.1446 1.0165 0.0618 -0.1304 0.0156 226 GLU a OE2 ? ? 1 +27374 N N A THR U 217 0.5679 1.1041 1.0017 0.0532 -0.1403 0.0132 227 THR a N ? ? 1 +27375 N N B THR U 217 0.5776 1.1135 1.0113 0.0532 -0.1398 0.0134 227 THR a N ? ? 1 +27376 C CA A THR U 217 0.5578 1.1021 1.0054 0.0519 -0.1382 0.0151 227 THR a CA ? ? 1 +27377 C CA B THR U 217 0.5629 1.1071 1.0105 0.0519 -0.1380 0.0152 227 THR a CA ? ? 1 +27378 C C A THR U 217 0.5587 1.1153 1.0195 0.0523 -0.1462 0.0110 227 THR a C ? ? 1 +27379 C C B THR U 217 0.5611 1.1176 1.0219 0.0522 -0.1460 0.0111 227 THR a C ? ? 1 +27380 O O A THR U 217 0.5625 1.1235 1.0254 0.0517 -0.1523 0.0064 227 THR a O ? ? 1 +27381 O O B THR U 217 0.5635 1.1246 1.0268 0.0514 -0.1519 0.0064 227 THR a O ? ? 1 +27382 C CB A THR U 217 0.5415 1.0901 1.0002 0.0458 -0.1301 0.0164 227 THR a CB ? ? 1 +27383 C CB B THR U 217 0.5453 1.0939 1.0040 0.0458 -0.1298 0.0167 227 THR a CB ? ? 1 +27384 O OG1 A THR U 217 0.5357 1.0889 0.9997 0.0418 -0.1314 0.0125 227 THR a OG1 ? ? 1 +27385 O OG1 B THR U 217 0.5357 1.0907 1.0023 0.0415 -0.1314 0.0125 227 THR a OG1 ? ? 1 +27386 C CG2 A THR U 217 0.5464 1.0845 0.9948 0.0456 -0.1214 0.0212 227 THR a CG2 ? ? 1 +27387 C CG2 B THR U 217 0.5512 1.0889 0.9989 0.0455 -0.1213 0.0210 227 THR a CG2 ? ? 1 +27388 N N . THR U 218 0.5605 1.1224 1.0300 0.0532 -0.1459 0.0128 228 THR a N ? ? 1 +27389 C CA . THR U 218 0.5575 1.1323 1.0416 0.0533 -0.1522 0.0093 228 THR a CA ? ? 1 +27390 C CB . THR U 218 0.5544 1.1293 1.0392 0.0577 -0.1533 0.0119 228 THR a CB ? ? 1 +27391 O OG1 . THR U 218 0.5389 1.1145 1.0305 0.0546 -0.1453 0.0157 228 THR a OG1 ? ? 1 +27392 C CG2 . THR U 218 0.5717 1.1335 1.0371 0.0645 -0.1556 0.0144 228 THR a CG2 ? ? 1 +27393 C C . THR U 218 0.5549 1.1407 1.0570 0.0464 -0.1484 0.0078 228 THR a C ? ? 1 +27394 O O . THR U 218 0.5615 1.1443 1.0637 0.0425 -0.1411 0.0099 228 THR a O ? ? 1 +27395 N N . GLU U 219 0.5698 1.1682 1.0867 0.0452 -0.1533 0.0041 229 GLU a N ? ? 1 +27396 C CA . GLU U 219 0.5726 1.1814 1.1060 0.0387 -0.1503 0.0022 229 GLU a CA ? ? 1 +27397 C CB . GLU U 219 0.5998 1.2213 1.1462 0.0377 -0.1578 -0.0034 229 GLU a CB ? ? 1 +27398 C CG . GLU U 219 0.6279 1.2575 1.1831 0.0410 -0.1616 -0.0038 229 GLU a CG ? ? 1 +27399 C CD . GLU U 219 0.6736 1.3166 1.2427 0.0393 -0.1683 -0.0096 229 GLU a CD ? ? 1 +27400 O OE1 . GLU U 219 0.7005 1.3501 1.2805 0.0331 -0.1659 -0.0119 229 GLU a OE1 ? ? 1 +27401 O OE2 . GLU U 219 0.6992 1.3460 1.2684 0.0441 -0.1758 -0.0119 229 GLU a OE2 ? ? 1 +27402 C C . GLU U 219 0.5342 1.1458 1.0766 0.0363 -0.1434 0.0058 229 GLU a C ? ? 1 +27403 O O . GLU U 219 0.5118 1.1293 1.0652 0.0309 -0.1393 0.0052 229 GLU a O ? ? 1 +27404 N N . THR U 220 0.5205 1.1273 1.0575 0.0405 -0.1422 0.0095 230 THR a N ? ? 1 +27405 C CA . THR U 220 0.5007 1.1089 1.0446 0.0387 -0.1358 0.0131 230 THR a CA ? ? 1 +27406 C CB . THR U 220 0.4998 1.1074 1.0422 0.0440 -0.1384 0.0149 230 THR a CB ? ? 1 +27407 O OG1 . THR U 220 0.5193 1.1141 1.0438 0.0489 -0.1389 0.0176 230 THR a OG1 ? ? 1 +27408 C CG2 . THR U 220 0.5067 1.1247 1.0582 0.0463 -0.1466 0.0107 230 THR a CG2 ? ? 1 +27409 C C . THR U 220 0.4940 1.0927 1.0300 0.0367 -0.1274 0.0174 230 THR a C ? ? 1 +27410 O O . THR U 220 0.4920 1.0913 1.0331 0.0350 -0.1218 0.0204 230 THR a O ? ? 1 +27411 N N . GLU U 221 0.4813 1.0713 1.0047 0.0372 -0.1266 0.0176 231 GLU a N ? ? 1 +27412 C CA . GLU U 221 0.4665 1.0477 0.9821 0.0357 -0.1187 0.0215 231 GLU a CA ? ? 1 +27413 C CB . GLU U 221 0.4985 1.0671 0.9968 0.0409 -0.1182 0.0249 231 GLU a CB ? ? 1 +27414 C CG . GLU U 221 0.5308 1.0937 1.0163 0.0450 -0.1245 0.0227 231 GLU a CG ? ? 1 +27415 C CD . GLU U 221 0.5672 1.1172 1.0349 0.0506 -0.1245 0.0259 231 GLU a CD ? ? 1 +27416 O OE1 . GLU U 221 0.6014 1.1448 1.0645 0.0502 -0.1176 0.0303 231 GLU a OE1 ? ? 1 +27417 O OE2 . GLU U 221 0.5708 1.1172 1.0291 0.0552 -0.1312 0.0241 231 GLU a OE2 ? ? 1 +27418 C C . GLU U 221 0.4398 1.0201 0.9544 0.0319 -0.1166 0.0197 231 GLU a C ? ? 1 +27419 O O . GLU U 221 0.4464 1.0283 0.9595 0.0320 -0.1218 0.0159 231 GLU a O ? ? 1 +27420 N N A SER U 222 0.4220 0.9999 0.9376 0.0286 -0.1089 0.0223 232 SER a N ? ? 1 +27421 N N B SER U 222 0.4182 0.9963 0.9341 0.0285 -0.1089 0.0223 232 SER a N ? ? 1 +27422 C CA A SER U 222 0.4116 0.9878 0.9259 0.0253 -0.1059 0.0211 232 SER a CA ? ? 1 +27423 C CA B SER U 222 0.4068 0.9829 0.9209 0.0253 -0.1059 0.0211 232 SER a CA ? ? 1 +27424 C C A SER U 222 0.4194 0.9861 0.9177 0.0283 -0.1082 0.0203 232 SER a C ? ? 1 +27425 C C B SER U 222 0.4141 0.9810 0.9125 0.0284 -0.1086 0.0201 232 SER a C ? ? 1 +27426 O O A SER U 222 0.4306 0.9884 0.9163 0.0323 -0.1075 0.0229 232 SER a O ? ? 1 +27427 O O B SER U 222 0.4259 0.9845 0.9120 0.0327 -0.1090 0.0223 232 SER a O ? ? 1 +27428 C CB A SER U 222 0.4041 0.9779 0.9200 0.0225 -0.0972 0.0246 232 SER a CB ? ? 1 +27429 C CB B SER U 222 0.3997 0.9729 0.9145 0.0227 -0.0971 0.0247 232 SER a CB ? ? 1 +27430 O OG A SER U 222 0.4043 0.9752 0.9170 0.0201 -0.0941 0.0237 232 SER a OG ? ? 1 +27431 O OG B SER U 222 0.3997 0.9695 0.9108 0.0205 -0.0940 0.0239 232 SER a OG ? ? 1 +27432 N N A ALA U 223 0.4146 0.9826 0.9130 0.0264 -0.1107 0.0166 233 ALA a N ? ? 1 +27433 N N B ALA U 223 0.4096 0.9776 0.9081 0.0262 -0.1105 0.0166 233 ALA a N ? ? 1 +27434 C CA A ALA U 223 0.4274 0.9864 0.9108 0.0290 -0.1130 0.0154 233 ALA a CA ? ? 1 +27435 C CA B ALA U 223 0.4239 0.9831 0.9075 0.0288 -0.1129 0.0153 233 ALA a CA ? ? 1 +27436 C C A ALA U 223 0.4357 0.9845 0.9078 0.0294 -0.1055 0.0189 233 ALA a C ? ? 1 +27437 C C B ALA U 223 0.4355 0.9844 0.9078 0.0292 -0.1055 0.0188 233 ALA a C ? ? 1 +27438 O O A ALA U 223 0.4509 0.9902 0.9080 0.0326 -0.1063 0.0192 233 ALA a O ? ? 1 +27439 O O B ALA U 223 0.4491 0.9884 0.9062 0.0325 -0.1062 0.0192 233 ALA a O ? ? 1 +27440 C CB A ALA U 223 0.4253 0.9883 0.9127 0.0261 -0.1167 0.0106 233 ALA a CB ? ? 1 +27441 C CB B ALA U 223 0.4216 0.9847 0.9090 0.0260 -0.1168 0.0105 233 ALA a CB ? ? 1 +27442 N N A ASN U 224 0.4263 0.9774 0.9058 0.0263 -0.0984 0.0216 234 ASN a N ? ? 1 +27443 N N B ASN U 224 0.4299 0.9811 0.9096 0.0260 -0.0983 0.0214 234 ASN a N ? ? 1 +27444 C CA A ASN U 224 0.4296 0.9726 0.9007 0.0262 -0.0907 0.0248 234 ASN a CA ? ? 1 +27445 C CA B ASN U 224 0.4358 0.9790 0.9072 0.0260 -0.0906 0.0247 234 ASN a CA ? ? 1 +27446 C C A ASN U 224 0.4397 0.9732 0.8974 0.0305 -0.0892 0.0284 234 ASN a C ? ? 1 +27447 C C B ASN U 224 0.4480 0.9818 0.9061 0.0303 -0.0891 0.0282 234 ASN a C ? ? 1 +27448 O O A ASN U 224 0.4469 0.9713 0.8923 0.0318 -0.0851 0.0300 234 ASN a O ? ? 1 +27449 O O B ASN U 224 0.4534 0.9780 0.8991 0.0317 -0.0851 0.0298 234 ASN a O ? ? 1 +27450 C CB A ASN U 224 0.4168 0.9655 0.9002 0.0221 -0.0842 0.0268 234 ASN a CB ? ? 1 +27451 C CB B ASN U 224 0.4236 0.9726 0.9074 0.0219 -0.0841 0.0266 234 ASN a CB ? ? 1 +27452 C CG A ASN U 224 0.4084 0.9640 0.9022 0.0180 -0.0843 0.0238 234 ASN a CG ? ? 1 +27453 C CG B ASN U 224 0.4156 0.9716 0.9102 0.0177 -0.0843 0.0236 234 ASN a CG ? ? 1 +27454 O OD1 A ASN U 224 0.4139 0.9683 0.9043 0.0177 -0.0878 0.0204 234 ASN a OD1 ? ? 1 +27455 O OD1 B ASN U 224 0.4209 0.9756 0.9119 0.0173 -0.0874 0.0203 234 ASN a OD1 ? ? 1 +27456 N ND2 A ASN U 224 0.3966 0.9587 0.9028 0.0146 -0.0803 0.0249 234 ASN a ND2 ? ? 1 +27457 N ND2 B ASN U 224 0.4043 0.9673 0.9117 0.0144 -0.0808 0.0246 234 ASN a ND2 ? ? 1 +27458 N N A TYR U 225 0.4408 0.9762 0.9004 0.0328 -0.0926 0.0294 235 TYR a N ? ? 1 +27459 N N B TYR U 225 0.4547 0.9904 0.9148 0.0325 -0.0923 0.0293 235 TYR a N ? ? 1 +27460 C CA A TYR U 225 0.4541 0.9800 0.9007 0.0371 -0.0917 0.0327 235 TYR a CA ? ? 1 +27461 C CA B TYR U 225 0.4732 0.9995 0.9203 0.0369 -0.0917 0.0326 235 TYR a CA ? ? 1 +27462 C C A TYR U 225 0.4679 0.9847 0.8978 0.0416 -0.0964 0.0315 235 TYR a C ? ? 1 +27463 C C B TYR U 225 0.4859 1.0030 0.9162 0.0413 -0.0963 0.0313 235 TYR a C ? ? 1 +27464 O O A TYR U 225 0.4799 0.9868 0.8963 0.0454 -0.0953 0.0343 235 TYR a O ? ? 1 +27465 O O B TYR U 225 0.4972 1.0040 0.9136 0.0449 -0.0945 0.0342 235 TYR a O ? ? 1 +27466 C CB A TYR U 225 0.4544 0.9850 0.9080 0.0386 -0.0945 0.0339 235 TYR a CB ? ? 1 +27467 C CB B TYR U 225 0.4797 1.0107 0.9337 0.0385 -0.0947 0.0336 235 TYR a CB ? ? 1 +27468 C CG A TYR U 225 0.4460 0.9821 0.9118 0.0349 -0.0884 0.0363 235 TYR a CG ? ? 1 +27469 C CG B TYR U 225 0.4787 1.0150 0.9446 0.0349 -0.0886 0.0361 235 TYR a CG ? ? 1 +27470 C CD1 A TYR U 225 0.4524 0.9827 0.9140 0.0336 -0.0802 0.0399 235 TYR a CD1 ? ? 1 +27471 C CD1 B TYR U 225 0.4926 1.0227 0.9539 0.0339 -0.0806 0.0399 235 TYR a CD1 ? ? 1 +27472 C CD2 A TYR U 225 0.4349 0.9822 0.9166 0.0327 -0.0907 0.0348 235 TYR a CD2 ? ? 1 +27473 C CD2 B TYR U 225 0.4711 1.0188 0.9532 0.0325 -0.0908 0.0345 235 TYR a CD2 ? ? 1 +27474 C CE1 A TYR U 225 0.4425 0.9780 0.9155 0.0301 -0.0748 0.0419 235 TYR a CE1 ? ? 1 +27475 C CE1 B TYR U 225 0.4876 1.0228 0.9600 0.0305 -0.0753 0.0420 235 TYR a CE1 ? ? 1 +27476 C CE2 A TYR U 225 0.4259 0.9779 0.9183 0.0294 -0.0853 0.0369 235 TYR a CE2 ? ? 1 +27477 C CE2 B TYR U 225 0.4669 1.0191 0.9595 0.0293 -0.0854 0.0367 235 TYR a CE2 ? ? 1 +27478 C CZ A TYR U 225 0.4310 0.9771 0.9190 0.0281 -0.0775 0.0404 235 TYR a CZ ? ? 1 +27479 C CZ B TYR U 225 0.4776 1.0236 0.9654 0.0283 -0.0778 0.0404 235 TYR a CZ ? ? 1 +27480 O OH A TYR U 225 0.4238 0.9747 0.9224 0.0249 -0.0724 0.0422 235 TYR a OH ? ? 1 +27481 O OH B TYR U 225 0.4766 1.0272 0.9747 0.0252 -0.0728 0.0423 235 TYR a OH ? ? 1 +27482 N N A GLY U 226 0.4658 0.9854 0.8963 0.0410 -0.1016 0.0272 236 GLY a N ? ? 1 +27483 N N B GLY U 226 0.4836 1.0038 0.9148 0.0410 -0.1021 0.0269 236 GLY a N ? ? 1 +27484 C CA A GLY U 226 0.4792 0.9904 0.8941 0.0449 -0.1063 0.0254 236 GLY a CA ? ? 1 +27485 C CA B GLY U 226 0.4962 1.0079 0.9116 0.0448 -0.1066 0.0252 236 GLY a CA ? ? 1 +27486 C C A GLY U 226 0.4861 0.9865 0.8872 0.0452 -0.1002 0.0271 236 GLY a C ? ? 1 +27487 C C B GLY U 226 0.5022 1.0031 0.9039 0.0450 -0.1004 0.0269 236 GLY a C ? ? 1 +27488 O O A GLY U 226 0.5024 0.9934 0.8876 0.0489 -0.1027 0.0266 236 GLY a O ? ? 1 +27489 O O B GLY U 226 0.5182 1.0101 0.9046 0.0486 -0.1032 0.0261 236 GLY a O ? ? 1 +27490 N N A TYR U 227 0.4734 0.9757 0.8810 0.0412 -0.0923 0.0288 237 TYR a N ? ? 1 +27491 N N B TYR U 227 0.4897 0.9919 0.8973 0.0414 -0.0922 0.0290 237 TYR a N ? ? 1 +27492 C CA A TYR U 227 0.4779 0.9709 0.8742 0.0413 -0.0853 0.0307 237 TYR a CA ? ? 1 +27493 C CA B TYR U 227 0.4930 0.9860 0.8894 0.0414 -0.0851 0.0310 237 TYR a CA ? ? 1 +27494 C C A TYR U 227 0.4793 0.9680 0.8732 0.0415 -0.0777 0.0357 237 TYR a C ? ? 1 +27495 C C B TYR U 227 0.4967 0.9854 0.8908 0.0416 -0.0776 0.0360 237 TYR a C ? ? 1 +27496 O O A TYR U 227 0.4660 0.9619 0.8729 0.0390 -0.0753 0.0373 237 TYR a O ? ? 1 +27497 O O B TYR U 227 0.4834 0.9795 0.8908 0.0389 -0.0750 0.0375 237 TYR a O ? ? 1 +27498 C CB A TYR U 227 0.4659 0.9637 0.8705 0.0370 -0.0816 0.0288 237 TYR a CB ? ? 1 +27499 C CB B TYR U 227 0.4788 0.9766 0.8835 0.0371 -0.0815 0.0291 237 TYR a CB ? ? 1 +27500 C CG A TYR U 227 0.4696 0.9591 0.8644 0.0370 -0.0736 0.0310 237 TYR a CG ? ? 1 +27501 C CG B TYR U 227 0.4803 0.9696 0.8749 0.0372 -0.0737 0.0311 237 TYR a CG ? ? 1 +27502 C CD1 A TYR U 227 0.4843 0.9640 0.8632 0.0397 -0.0743 0.0298 237 TYR a CD1 ? ? 1 +27503 C CD1 B TYR U 227 0.4946 0.9742 0.8732 0.0400 -0.0746 0.0299 237 TYR a CD1 ? ? 1 +27504 C CD2 A TYR U 227 0.4601 0.9512 0.8611 0.0346 -0.0653 0.0342 237 TYR a CD2 ? ? 1 +27505 C CD2 B TYR U 227 0.4689 0.9599 0.8697 0.0347 -0.0653 0.0343 237 TYR a CD2 ? ? 1 +27506 C CE1 A TYR U 227 0.4912 0.9632 0.8609 0.0399 -0.0666 0.0318 237 TYR a CE1 ? ? 1 +27507 C CE1 B TYR U 227 0.5013 0.9731 0.8704 0.0402 -0.0671 0.0317 237 TYR a CE1 ? ? 1 +27508 C CE2 A TYR U 227 0.4667 0.9508 0.8593 0.0347 -0.0578 0.0361 237 TYR a CE2 ? ? 1 +27509 C CE2 B TYR U 227 0.4757 0.9595 0.8678 0.0348 -0.0579 0.0360 237 TYR a CE2 ? ? 1 +27510 C CZ A TYR U 227 0.4815 0.9561 0.8585 0.0374 -0.0582 0.0349 237 TYR a CZ ? ? 1 +27511 C CZ B TYR U 227 0.4907 0.9649 0.8670 0.0376 -0.0587 0.0348 237 TYR a CZ ? ? 1 +27512 O OH A TYR U 227 0.4872 0.9550 0.8559 0.0377 -0.0505 0.0367 237 TYR a OH ? ? 1 +27513 O OH B TYR U 227 0.4950 0.9622 0.8625 0.0380 -0.0512 0.0363 237 TYR a OH ? ? 1 +27514 N N A LYS U 228 0.4973 0.9739 0.8745 0.0444 -0.0740 0.0381 238 LYS a N ? ? 1 +27515 N N B LYS U 228 0.5182 0.9948 0.8956 0.0446 -0.0740 0.0385 238 LYS a N ? ? 1 +27516 C CA A LYS U 228 0.5027 0.9740 0.8763 0.0443 -0.0659 0.0428 238 LYS a CA ? ? 1 +27517 C CA B LYS U 228 0.5278 0.9991 0.9017 0.0443 -0.0658 0.0431 238 LYS a CA ? ? 1 +27518 C C A LYS U 228 0.5041 0.9704 0.8723 0.0426 -0.0577 0.0439 238 LYS a C ? ? 1 +27519 C C B LYS U 228 0.5267 0.9936 0.8959 0.0425 -0.0577 0.0441 238 LYS a C ? ? 1 +27520 O O A LYS U 228 0.5146 0.9732 0.8697 0.0447 -0.0580 0.0427 238 LYS a O ? ? 1 +27521 O O B LYS U 228 0.5359 0.9950 0.8919 0.0447 -0.0580 0.0429 238 LYS a O ? ? 1 +27522 C CB A LYS U 228 0.5237 0.9839 0.8813 0.0491 -0.0674 0.0454 238 LYS a CB ? ? 1 +27523 C CB B LYS U 228 0.5540 1.0138 0.9116 0.0491 -0.0669 0.0458 238 LYS a CB ? ? 1 +27524 C CG A LYS U 228 0.5303 0.9929 0.8884 0.0523 -0.0770 0.0437 238 LYS a CG ? ? 1 +27525 C CG B LYS U 228 0.5661 1.0276 0.9231 0.0526 -0.0763 0.0444 238 LYS a CG ? ? 1 +27526 C CD A LYS U 228 0.5191 0.9921 0.8938 0.0503 -0.0784 0.0442 238 LYS a CD ? ? 1 +27527 C CD B LYS U 228 0.5605 1.0318 0.9333 0.0509 -0.0778 0.0450 238 LYS a CD ? ? 1 +27528 C CE A LYS U 228 0.5257 1.0015 0.9009 0.0540 -0.0881 0.0421 238 LYS a CE ? ? 1 +27529 C CE B LYS U 228 0.5732 1.0467 0.9454 0.0548 -0.0878 0.0428 238 LYS a CE ? ? 1 +27530 N NZ A LYS U 228 0.5127 0.9985 0.9038 0.0522 -0.0891 0.0426 238 LYS a NZ ? ? 1 +27531 N NZ B LYS U 228 0.5636 1.0465 0.9507 0.0535 -0.0894 0.0433 238 LYS a NZ ? ? 1 +27532 N N A PHE U 229 0.4928 0.9638 0.8713 0.0391 -0.0503 0.0460 239 PHE a N ? ? 1 +27533 N N B PHE U 229 0.5143 0.9862 0.8942 0.0389 -0.0504 0.0461 239 PHE a N ? ? 1 +27534 C CA A PHE U 229 0.4962 0.9642 0.8721 0.0374 -0.0421 0.0470 239 PHE a CA ? ? 1 +27535 C CA B PHE U 229 0.5190 0.9879 0.8962 0.0372 -0.0423 0.0470 239 PHE a CA ? ? 1 +27536 C C A PHE U 229 0.5199 0.9742 0.8758 0.0407 -0.0386 0.0489 239 PHE a C ? ? 1 +27537 C C B PHE U 229 0.5436 0.9987 0.9007 0.0406 -0.0390 0.0488 239 PHE a C ? ? 1 +27538 O O A PHE U 229 0.5280 0.9752 0.8754 0.0427 -0.0369 0.0520 239 PHE a O ? ? 1 +27539 O O B PHE U 229 0.5512 0.9992 0.8998 0.0425 -0.0371 0.0520 239 PHE a O ? ? 1 +27540 C CB A PHE U 229 0.4823 0.9562 0.8705 0.0337 -0.0349 0.0497 239 PHE a CB ? ? 1 +27541 C CB B PHE U 229 0.5054 0.9799 0.8945 0.0336 -0.0349 0.0498 239 PHE a CB ? ? 1 +27542 C CG A PHE U 229 0.4821 0.9544 0.8694 0.0319 -0.0262 0.0506 239 PHE a CG ? ? 1 +27543 C CG B PHE U 229 0.5064 0.9792 0.8945 0.0318 -0.0263 0.0507 239 PHE a CG ? ? 1 +27544 C CD1 A PHE U 229 0.4770 0.9530 0.8681 0.0307 -0.0261 0.0478 239 PHE a CD1 ? ? 1 +27545 C CD1 B PHE U 229 0.4997 0.9769 0.8929 0.0303 -0.0260 0.0478 239 PHE a CD1 ? ? 1 +27546 C CD2 A PHE U 229 0.4870 0.9542 0.8699 0.0315 -0.0182 0.0542 239 PHE a CD2 ? ? 1 +27547 C CD2 B PHE U 229 0.5136 0.9805 0.8959 0.0316 -0.0184 0.0542 239 PHE a CD2 ? ? 1 +27548 C CE1 A PHE U 229 0.4771 0.9519 0.8678 0.0294 -0.0182 0.0485 239 PHE a CE1 ? ? 1 +27549 C CE1 B PHE U 229 0.4995 0.9756 0.8921 0.0291 -0.0181 0.0485 239 PHE a CE1 ? ? 1 +27550 C CE2 A PHE U 229 0.4864 0.9531 0.8694 0.0299 -0.0102 0.0548 239 PHE a CE2 ? ? 1 +27551 C CE2 B PHE U 229 0.5127 0.9789 0.8950 0.0301 -0.0104 0.0548 239 PHE a CE2 ? ? 1 +27552 C CZ A PHE U 229 0.4814 0.9520 0.8683 0.0291 -0.0103 0.0519 239 PHE a CZ ? ? 1 +27553 C CZ B PHE U 229 0.5053 0.9763 0.8928 0.0290 -0.0104 0.0520 239 PHE a CZ ? ? 1 +27554 N N A GLY U 230 0.5337 0.9837 0.8817 0.0415 -0.0375 0.0470 240 GLY a N ? ? 1 +27555 N N B GLY U 230 0.5596 1.0106 0.9087 0.0414 -0.0385 0.0467 240 GLY a N ? ? 1 +27556 C CA A GLY U 230 0.5592 0.9962 0.8881 0.0445 -0.0335 0.0485 240 GLY a CA ? ? 1 +27557 C CA B GLY U 230 0.5873 1.0253 0.9174 0.0444 -0.0344 0.0481 240 GLY a CA ? ? 1 +27558 C C A GLY U 230 0.5838 1.0116 0.8962 0.0492 -0.0408 0.0471 240 GLY a C ? ? 1 +27559 C C B GLY U 230 0.6165 1.0453 0.9301 0.0491 -0.0417 0.0467 240 GLY a C ? ? 1 +27560 O O A GLY U 230 0.6005 1.0164 0.8955 0.0521 -0.0378 0.0484 240 GLY a O ? ? 1 +27561 O O B GLY U 230 0.6311 1.0484 0.9276 0.0519 -0.0388 0.0475 240 GLY a O ? ? 1 +27562 N N A GLN U 231 0.5898 1.0232 0.9077 0.0500 -0.0502 0.0443 241 GLN a N ? ? 1 +27563 N N B GLN U 231 0.6299 1.0638 0.9483 0.0502 -0.0510 0.0443 241 GLN a N ? ? 1 +27564 C CA A GLN U 231 0.6134 1.0394 0.9170 0.0546 -0.0581 0.0425 241 GLN a CA ? ? 1 +27565 C CA B GLN U 231 0.6602 1.0864 0.9640 0.0547 -0.0588 0.0425 241 GLN a CA ? ? 1 +27566 C C A GLN U 231 0.6363 1.0568 0.9296 0.0556 -0.0587 0.0396 241 GLN a C ? ? 1 +27567 C C B GLN U 231 0.6938 1.1148 0.9877 0.0556 -0.0591 0.0395 241 GLN a C ? ? 1 +27568 O O A GLN U 231 0.6264 1.0529 0.9286 0.0525 -0.0567 0.0374 241 GLN a O ? ? 1 +27569 O O B GLN U 231 0.6825 1.1097 0.9858 0.0524 -0.0570 0.0374 241 GLN a O ? ? 1 +27570 C CB A GLN U 231 0.6024 1.0373 0.9163 0.0548 -0.0681 0.0398 241 GLN a CB ? ? 1 +27571 C CB B GLN U 231 0.6472 1.0820 0.9607 0.0552 -0.0689 0.0397 241 GLN a CB ? ? 1 +27572 C CG A GLN U 231 0.5882 1.0340 0.9161 0.0515 -0.0719 0.0354 241 GLN a CG ? ? 1 +27573 C CG B GLN U 231 0.6311 1.0773 0.9596 0.0516 -0.0725 0.0354 241 GLN a CG ? ? 1 +27574 C CD A GLN U 231 0.5789 1.0329 0.9157 0.0519 -0.0817 0.0324 241 GLN a CD ? ? 1 +27575 C CD B GLN U 231 0.6182 1.0727 0.9556 0.0521 -0.0823 0.0325 241 GLN a CD ? ? 1 +27576 O OE1 A GLN U 231 0.5679 1.0278 0.9141 0.0516 -0.0831 0.0338 241 GLN a OE1 ? ? 1 +27577 O OE1 B GLN U 231 0.6044 1.0646 0.9511 0.0517 -0.0835 0.0340 241 GLN a OE1 ? ? 1 +27578 N NE2 A GLN U 231 0.5815 1.0362 0.9157 0.0527 -0.0886 0.0280 241 GLN a NE2 ? ? 1 +27579 N NE2 B GLN U 231 0.6195 1.0747 0.9542 0.0530 -0.0894 0.0281 241 GLN a NE2 ? ? 1 +27580 N N A GLU U 232 0.6747 1.0831 0.9483 0.0603 -0.0616 0.0395 242 GLU a N ? ? 1 +27581 N N B GLU U 232 0.7504 1.1591 1.0245 0.0602 -0.0616 0.0395 242 GLU a N ? ? 1 +27582 C CA A GLU U 232 0.7013 1.1021 0.9619 0.0618 -0.0613 0.0372 242 GLU a CA ? ? 1 +27583 C CA B GLU U 232 0.7905 1.1919 1.0520 0.0616 -0.0615 0.0370 242 GLU a CA ? ? 1 +27584 C C A GLU U 232 0.6988 1.1053 0.9642 0.0614 -0.0704 0.0318 242 GLU a C ? ? 1 +27585 C C B GLU U 232 0.7898 1.1971 1.0562 0.0613 -0.0708 0.0317 242 GLU a C ? ? 1 +27586 O O A GLU U 232 0.7024 1.1080 0.9659 0.0604 -0.0692 0.0292 242 GLU a O ? ? 1 +27587 O O B GLU U 232 0.7934 1.2001 1.0585 0.0601 -0.0699 0.0289 242 GLU a O ? ? 1 +27588 C CB A GLU U 232 0.7378 1.1229 0.9747 0.0670 -0.0611 0.0390 242 GLU a CB ? ? 1 +27589 C CB B GLU U 232 0.8397 1.2254 1.0773 0.0668 -0.0613 0.0388 242 GLU a CB ? ? 1 +27590 C CG A GLU U 232 0.7571 1.1343 0.9864 0.0669 -0.0503 0.0440 242 GLU a CG ? ? 1 +27591 C CG B GLU U 232 0.8737 1.2509 1.1028 0.0671 -0.0508 0.0438 242 GLU a CG ? ? 1 +27592 C CD A GLU U 232 0.7963 1.1577 1.0021 0.0708 -0.0469 0.0450 242 GLU a CD ? ? 1 +27593 C CD B GLU U 232 0.9320 1.2930 1.1368 0.0714 -0.0485 0.0448 242 GLU a CD ? ? 1 +27594 O OE1 A GLU U 232 0.8146 1.1730 1.0132 0.0720 -0.0497 0.0416 242 GLU a OE1 ? ? 1 +27595 O OE1 B GLU U 232 0.9549 1.3122 1.1541 0.0708 -0.0436 0.0437 242 GLU a OE1 ? ? 1 +27596 O OE2 A GLU U 232 0.8170 1.1688 1.0115 0.0725 -0.0411 0.0492 242 GLU a OE2 ? ? 1 +27597 O OE2 B GLU U 232 0.9608 1.3125 1.1516 0.0756 -0.0520 0.0465 242 GLU a OE2 ? ? 1 +27598 N N A GLU U 233 0.6973 1.1098 0.9689 0.0623 -0.0793 0.0300 243 GLU a N ? ? 1 +27599 N N B GLU U 233 0.7957 1.2084 1.0675 0.0624 -0.0797 0.0301 243 GLU a N ? ? 1 +27600 C CA A GLU U 233 0.6992 1.1168 0.9745 0.0622 -0.0887 0.0247 243 GLU a CA ? ? 1 +27601 C CA B GLU U 233 0.8043 1.2218 1.0794 0.0625 -0.0892 0.0248 243 GLU a CA ? ? 1 +27602 C C A GLU U 233 0.6658 1.0973 0.9625 0.0568 -0.0890 0.0223 243 GLU a C ? ? 1 +27603 C C B GLU U 233 0.7566 1.1881 1.0531 0.0571 -0.0895 0.0224 243 GLU a C ? ? 1 +27604 O O A GLU U 233 0.6472 1.0869 0.9584 0.0540 -0.0855 0.0246 243 GLU a O ? ? 1 +27605 O O B GLU U 233 0.7320 1.1719 1.0431 0.0543 -0.0863 0.0245 243 GLU a O ? ? 1 +27606 C CB A GLU U 233 0.7171 1.1351 0.9893 0.0659 -0.0984 0.0237 243 GLU a CB ? ? 1 +27607 C CB B GLU U 233 0.8383 1.2559 1.1100 0.0662 -0.0986 0.0240 243 GLU a CB ? ? 1 +27608 C CG A GLU U 233 0.7522 1.1556 1.0020 0.0717 -0.0993 0.0258 243 GLU a CG ? ? 1 +27609 C CG B GLU U 233 0.8922 1.2951 1.1415 0.0719 -0.0989 0.0264 243 GLU a CG ? ? 1 +27610 C CD A GLU U 233 0.7770 1.1806 1.0227 0.0760 -0.1101 0.0239 243 GLU a CD ? ? 1 +27611 C CD B GLU U 233 0.9458 1.3477 1.1896 0.0765 -0.1093 0.0248 243 GLU a CD ? ? 1 +27612 O OE1 A GLU U 233 0.7807 1.1943 1.0406 0.0750 -0.1139 0.0239 243 GLU a OE1 ? ? 1 +27613 O OE1 B GLU U 233 0.9770 1.3898 1.2357 0.0754 -0.1141 0.0240 243 GLU a OE1 ? ? 1 +27614 O OE2 A GLU U 233 0.8015 1.1948 1.0292 0.0805 -0.1148 0.0225 243 GLU a OE2 ? ? 1 +27615 O OE2 B GLU U 233 0.9747 1.3648 1.1988 0.0814 -0.1125 0.0245 243 GLU a OE2 ? ? 1 +27616 N N A GLU U 234 0.6557 1.0893 0.9537 0.0555 -0.0933 0.0177 244 GLU a N ? ? 1 +27617 N N B GLU U 234 0.7365 1.1699 1.0342 0.0557 -0.0935 0.0178 244 GLU a N ? ? 1 +27618 C CA A GLU U 234 0.6304 1.0760 0.9470 0.0505 -0.0942 0.0150 244 GLU a CA ? ? 1 +27619 C CA B GLU U 234 0.7038 1.1492 1.0200 0.0507 -0.0944 0.0151 244 GLU a CA ? ? 1 +27620 C C A GLU U 234 0.6142 1.0706 0.9447 0.0496 -0.1012 0.0138 244 GLU a C ? ? 1 +27621 C C B GLU U 234 0.6826 1.1388 1.0126 0.0499 -0.1016 0.0138 244 GLU a C ? ? 1 +27622 O O A GLU U 234 0.6172 1.0717 0.9414 0.0532 -0.1082 0.0130 244 GLU a O ? ? 1 +27623 O O B GLU U 234 0.6785 1.1328 1.0021 0.0533 -0.1089 0.0127 244 GLU a O ? ? 1 +27624 C CB A GLU U 234 0.6358 1.0791 0.9482 0.0496 -0.0974 0.0103 244 GLU a CB ? ? 1 +27625 C CB B GLU U 234 0.7091 1.1521 1.0210 0.0498 -0.0973 0.0104 244 GLU a CB ? ? 1 +27626 C CG A GLU U 234 0.6199 1.0724 0.9484 0.0444 -0.0954 0.0082 244 GLU a CG ? ? 1 +27627 C CG B GLU U 234 0.6932 1.1452 1.0210 0.0446 -0.0952 0.0083 244 GLU a CG ? ? 1 +27628 C CD A GLU U 234 0.6071 1.0638 0.9459 0.0417 -0.0860 0.0120 244 GLU a CD ? ? 1 +27629 C CD B GLU U 234 0.6828 1.1378 1.0192 0.0420 -0.0854 0.0121 244 GLU a CD ? ? 1 +27630 O OE1 A GLU U 234 0.5907 1.0565 0.9434 0.0397 -0.0860 0.0136 244 GLU a OE1 ? ? 1 +27631 O OE1 B GLU U 234 0.6637 1.1274 1.0138 0.0401 -0.0843 0.0141 244 GLU a OE1 ? ? 1 +27632 O OE2 A GLU U 234 0.6141 1.0650 0.9467 0.0417 -0.0788 0.0133 244 GLU a OE2 ? ? 1 +27633 O OE2 B GLU U 234 0.6938 1.1425 1.0230 0.0423 -0.0788 0.0129 244 GLU a OE2 ? ? 1 +27634 N N A THR U 235 0.5917 1.0594 0.9410 0.0451 -0.0993 0.0137 245 THR a N ? ? 1 +27635 N N B THR U 235 0.6569 1.1243 1.0055 0.0454 -0.0994 0.0139 245 THR a N ? ? 1 +27636 C CA A THR U 235 0.5775 1.0558 0.9411 0.0439 -0.1039 0.0134 245 THR a CA ? ? 1 +27637 C CA B THR U 235 0.6412 1.1192 1.0042 0.0443 -0.1042 0.0135 245 THR a CA ? ? 1 +27638 C C A THR U 235 0.5705 1.0578 0.9449 0.0413 -0.1114 0.0081 245 THR a C ? ? 1 +27639 C C B THR U 235 0.6356 1.1226 1.0095 0.0416 -0.1117 0.0082 245 THR a C ? ? 1 +27640 O O A THR U 235 0.5592 1.0558 0.9457 0.0404 -0.1161 0.0071 245 THR a O ? ? 1 +27641 O O B THR U 235 0.6206 1.1173 1.0072 0.0404 -0.1161 0.0073 245 THR a O ? ? 1 +27642 C CB A THR U 235 0.5606 1.0453 0.9375 0.0408 -0.0965 0.0170 245 THR a CB ? ? 1 +27643 C CB B THR U 235 0.6225 1.1071 0.9990 0.0411 -0.0970 0.0171 245 THR a CB ? ? 1 +27644 O OG1 A THR U 235 0.5496 1.0415 0.9360 0.0411 -0.1001 0.0179 245 THR a OG1 ? ? 1 +27645 O OG1 B THR U 235 0.6067 1.0991 0.9935 0.0413 -0.1011 0.0176 245 THR a OG1 ? ? 1 +27646 C CG2 A THR U 235 0.5486 1.0404 0.9385 0.0357 -0.0933 0.0152 245 THR a CG2 ? ? 1 +27647 C CG2 B THR U 235 0.6122 1.1036 1.0013 0.0361 -0.0932 0.0156 245 THR a CG2 ? ? 1 +27648 N N A TYR U 236 0.5771 1.0612 0.9469 0.0400 -0.1124 0.0047 246 TYR a N ? ? 1 +27649 N N B TYR U 236 0.6462 1.1300 1.0153 0.0404 -0.1128 0.0048 246 TYR a N ? ? 1 +27650 C CA A TYR U 236 0.5754 1.0661 0.9530 0.0375 -0.1197 -0.0006 246 TYR a CA ? ? 1 +27651 C CA B TYR U 236 0.6475 1.1382 1.0248 0.0377 -0.1199 -0.0006 246 TYR a CA ? ? 1 +27652 C C A TYR U 236 0.5891 1.0709 0.9512 0.0399 -0.1244 -0.0041 246 TYR a C ? ? 1 +27653 C C B TYR U 236 0.6607 1.1427 1.0228 0.0401 -0.1248 -0.0042 246 TYR a C ? ? 1 +27654 O O A TYR U 236 0.6029 1.0734 0.9490 0.0430 -0.1207 -0.0023 246 TYR a O ? ? 1 +27655 O O B TYR U 236 0.6757 1.1463 1.0217 0.0431 -0.1212 -0.0025 246 TYR a O ? ? 1 +27656 C CB A TYR U 236 0.5641 1.0624 0.9567 0.0318 -0.1159 -0.0019 246 TYR a CB ? ? 1 +27657 C CB B TYR U 236 0.6397 1.1375 1.0315 0.0320 -0.1156 -0.0016 246 TYR a CB ? ? 1 +27658 C CG A TYR U 236 0.5743 1.0654 0.9598 0.0307 -0.1100 -0.0020 246 TYR a CG ? ? 1 +27659 C CG B TYR U 236 0.6573 1.1475 1.0411 0.0311 -0.1102 -0.0020 246 TYR a CG ? ? 1 +27660 C CD1 A TYR U 236 0.5780 1.0629 0.9571 0.0320 -0.1014 0.0023 246 TYR a CD1 ? ? 1 +27661 C CD1 B TYR U 236 0.6645 1.1478 1.0408 0.0326 -0.1017 0.0022 246 TYR a CD1 ? ? 1 +27662 C CD2 A TYR U 236 0.5801 1.0707 0.9656 0.0282 -0.1129 -0.0066 246 TYR a CD2 ? ? 1 +27663 C CD2 B TYR U 236 0.6671 1.1568 1.0509 0.0287 -0.1134 -0.0066 246 TYR a CD2 ? ? 1 +27664 C CE1 A TYR U 236 0.5839 1.0627 0.9570 0.0312 -0.0959 0.0020 246 TYR a CE1 ? ? 1 +27665 C CE1 B TYR U 236 0.6740 1.1506 1.0433 0.0321 -0.0966 0.0018 246 TYR a CE1 ? ? 1 +27666 C CE2 A TYR U 236 0.5860 1.0696 0.9648 0.0275 -0.1075 -0.0068 246 TYR a CE2 ? ? 1 +27667 C CE2 B TYR U 236 0.6752 1.1574 1.0512 0.0282 -0.1084 -0.0070 246 TYR a CE2 ? ? 1 +27668 C CZ A TYR U 236 0.5890 1.0670 0.9617 0.0292 -0.0990 -0.0025 246 TYR a CZ ? ? 1 +27669 C CZ B TYR U 236 0.6817 1.1576 1.0506 0.0301 -0.1000 -0.0028 246 TYR a CZ ? ? 1 +27670 O OH A TYR U 236 0.5981 1.0697 0.9647 0.0288 -0.0936 -0.0027 246 TYR a OH ? ? 1 +27671 O OH B TYR U 236 0.7012 1.1701 1.0628 0.0298 -0.0950 -0.0033 246 TYR a OH ? ? 1 +27672 N N A ASN U 237 0.5856 1.0727 0.9528 0.0384 -0.1324 -0.0093 247 ASN a N ? ? 1 +27673 N N B ASN U 237 0.6568 1.1443 1.0243 0.0385 -0.1329 -0.0094 247 ASN a N ? ? 1 +27674 C CA A ASN U 237 0.5981 1.0779 0.9520 0.0403 -0.1383 -0.0134 247 ASN a CA ? ? 1 +27675 C CA B ASN U 237 0.6676 1.1482 1.0222 0.0404 -0.1391 -0.0136 247 ASN a CA ? ? 1 +27676 C C A ASN U 237 0.5936 1.0732 0.9506 0.0359 -0.1367 -0.0169 247 ASN a C ? ? 1 +27677 C C B ASN U 237 0.6651 1.1453 1.0225 0.0361 -0.1373 -0.0169 247 ASN a C ? ? 1 +27678 O O A ASN U 237 0.5867 1.0751 0.9567 0.0318 -0.1407 -0.0206 247 ASN a O ? ? 1 +27679 O O B ASN U 237 0.6594 1.1483 1.0298 0.0319 -0.1411 -0.0207 247 ASN a O ? ? 1 +27680 C CB A ASN U 237 0.6000 1.0858 0.9570 0.0418 -0.1490 -0.0172 247 ASN a CB ? ? 1 +27681 C CB B ASN U 237 0.6656 1.1529 1.0245 0.0417 -0.1498 -0.0174 247 ASN a CB ? ? 1 +27682 C CG A ASN U 237 0.6169 1.0960 0.9608 0.0439 -0.1563 -0.0219 247 ASN a CG ? ? 1 +27683 C CG B ASN U 237 0.6810 1.1619 1.0268 0.0440 -0.1576 -0.0221 247 ASN a CG ? ? 1 +27684 O OD1 A ASN U 237 0.6281 1.0986 0.9616 0.0435 -0.1536 -0.0230 247 ASN a OD1 ? ? 1 +27685 O OD1 B ASN U 237 0.6954 1.1670 1.0293 0.0442 -0.1555 -0.0232 247 ASN a OD1 ? ? 1 +27686 N ND2 A ASN U 237 0.6207 1.1039 0.9650 0.0463 -0.1657 -0.0249 247 ASN a ND2 ? ? 1 +27687 N ND2 B ASN U 237 0.6807 1.1669 1.0287 0.0461 -0.1670 -0.0251 247 ASN a ND2 ? ? 1 +27688 N N A ILE U 238 0.5981 1.0675 0.9429 0.0369 -0.1306 -0.0155 248 ILE a N ? ? 1 +27689 N N B ILE U 238 0.6705 1.1402 1.0154 0.0371 -0.1311 -0.0155 248 ILE a N ? ? 1 +27690 C CA A ILE U 238 0.5948 1.0628 0.9417 0.0331 -0.1277 -0.0181 248 ILE a CA ? ? 1 +27691 C CA B ILE U 238 0.6702 1.1383 1.0169 0.0334 -0.1282 -0.0180 248 ILE a CA ? ? 1 +27692 C C A ILE U 238 0.6008 1.0678 0.9444 0.0321 -0.1361 -0.0243 248 ILE a C ? ? 1 +27693 C C B ILE U 238 0.6767 1.1439 1.0201 0.0323 -0.1366 -0.0242 248 ILE a C ? ? 1 +27694 O O A ILE U 238 0.5956 1.0658 0.9470 0.0276 -0.1362 -0.0275 248 ILE a O ? ? 1 +27695 O O B ILE U 238 0.6705 1.1410 1.0219 0.0278 -0.1367 -0.0274 248 ILE a O ? ? 1 +27696 C CB A ILE U 238 0.6037 1.0607 0.9376 0.0350 -0.1191 -0.0152 248 ILE a CB ? ? 1 +27697 C CB B ILE U 238 0.6816 1.1387 1.0153 0.0353 -0.1195 -0.0150 248 ILE a CB ? ? 1 +27698 C CG1 A ILE U 238 0.6011 1.0581 0.9402 0.0310 -0.1149 -0.0171 248 ILE a CG1 ? ? 1 +27699 C CG1 B ILE U 238 0.6821 1.1395 1.0215 0.0312 -0.1149 -0.0167 248 ILE a CG1 ? ? 1 +27700 C CG2 A ILE U 238 0.6243 1.0688 0.9369 0.0401 -0.1217 -0.0159 248 ILE a CG2 ? ? 1 +27701 C CG2 B ILE U 238 0.7021 1.1465 1.0143 0.0403 -0.1219 -0.0158 248 ILE a CG2 ? ? 1 +27702 C CD1 A ILE U 238 0.6072 1.0555 0.9370 0.0326 -0.1054 -0.0139 248 ILE a CD1 ? ? 1 +27703 C CD1 B ILE U 238 0.6912 1.1399 1.0211 0.0328 -0.1056 -0.0136 248 ILE a CD1 ? ? 1 +27704 N N A VAL U 239 0.6130 1.0753 0.9446 0.0362 -0.1432 -0.0260 249 VAL a N ? ? 1 +27705 N N B VAL U 239 0.6926 1.1550 1.0239 0.0365 -0.1436 -0.0260 249 VAL a N ? ? 1 +27706 C CA A VAL U 239 0.6224 1.0837 0.9501 0.0356 -0.1519 -0.0322 249 VAL a CA ? ? 1 +27707 C CA B VAL U 239 0.7056 1.1676 1.0338 0.0358 -0.1526 -0.0322 249 VAL a CA ? ? 1 +27708 C C A VAL U 239 0.6077 1.0829 0.9547 0.0309 -0.1577 -0.0358 249 VAL a C ? ? 1 +27709 C C B VAL U 239 0.6941 1.1703 1.0419 0.0312 -0.1583 -0.0356 249 VAL a C ? ? 1 +27710 O O A VAL U 239 0.6116 1.0886 0.9625 0.0272 -0.1614 -0.0407 249 VAL a O ? ? 1 +27711 O O B VAL U 239 0.7022 1.1806 1.0544 0.0274 -0.1622 -0.0406 249 VAL a O ? ? 1 +27712 C CB A VAL U 239 0.6430 1.0963 0.9532 0.0416 -0.1584 -0.0330 249 VAL a CB ? ? 1 +27713 C CB B VAL U 239 0.7276 1.1818 1.0385 0.0418 -0.1593 -0.0330 249 VAL a CB ? ? 1 +27714 C CG1 A VAL U 239 0.6526 1.1070 0.9610 0.0409 -0.1688 -0.0397 249 VAL a CG1 ? ? 1 +27715 C CG1 B VAL U 239 0.7361 1.1923 1.0462 0.0410 -0.1698 -0.0398 249 VAL a CG1 ? ? 1 +27716 C CG2 A VAL U 239 0.6585 1.0970 0.9486 0.0456 -0.1522 -0.0300 249 VAL a CG2 ? ? 1 +27717 C CG2 B VAL U 239 0.7453 1.1844 1.0354 0.0460 -0.1535 -0.0303 249 VAL a CG2 ? ? 1 +27718 N N A ALA U 240 0.5920 1.0767 0.9509 0.0311 -0.1583 -0.0333 250 ALA a N ? ? 1 +27719 N N B ALA U 240 0.6798 1.1652 1.0391 0.0315 -0.1585 -0.0329 250 ALA a N ? ? 1 +27720 C CA A ALA U 240 0.5744 1.0730 0.9525 0.0268 -0.1629 -0.0363 250 ALA a CA ? ? 1 +27721 C CA B ALA U 240 0.6612 1.1605 1.0400 0.0273 -0.1629 -0.0356 250 ALA a CA ? ? 1 +27722 C C A ALA U 240 0.5559 1.0594 0.9475 0.0206 -0.1569 -0.0363 250 ALA a C ? ? 1 +27723 C C B ALA U 240 0.6385 1.1432 1.0312 0.0211 -0.1569 -0.0357 250 ALA a C ? ? 1 +27724 O O A ALA U 240 0.5520 1.0630 0.9552 0.0159 -0.1607 -0.0406 250 ALA a O ? ? 1 +27725 O O B ALA U 240 0.6343 1.1473 1.0397 0.0164 -0.1608 -0.0398 250 ALA a O ? ? 1 +27726 C CB A ALA U 240 0.5661 1.0725 0.9523 0.0291 -0.1642 -0.0332 250 ALA a CB ? ? 1 +27727 C CB B ALA U 240 0.6538 1.1607 1.0402 0.0298 -0.1641 -0.0325 250 ALA a CB ? ? 1 +27728 N N A ALA U 241 0.5430 1.0424 0.9331 0.0207 -0.1475 -0.0316 251 ALA a N ? ? 1 +27729 N N B ALA U 241 0.6184 1.1182 1.0087 0.0210 -0.1476 -0.0312 251 ALA a N ? ? 1 +27730 C CA A ALA U 241 0.5276 1.0302 0.9285 0.0155 -0.1414 -0.0312 251 ALA a CA ? ? 1 +27731 C CA B ALA U 241 0.6018 1.1049 1.0030 0.0158 -0.1416 -0.0309 251 ALA a CA ? ? 1 +27732 C C A ALA U 241 0.5325 1.0290 0.9280 0.0129 -0.1423 -0.0356 251 ALA a C ? ? 1 +27733 C C B ALA U 241 0.6055 1.1027 1.0013 0.0132 -0.1427 -0.0354 251 ALA a C ? ? 1 +27734 O O A ALA U 241 0.5265 1.0284 0.9333 0.0076 -0.1426 -0.0384 251 ALA a O ? ? 1 +27735 O O B ALA U 241 0.6006 1.1034 1.0080 0.0079 -0.1432 -0.0383 251 ALA a O ? ? 1 +27736 C CB A ALA U 241 0.5219 1.0208 0.9208 0.0169 -0.1316 -0.0254 251 ALA a CB ? ? 1 +27737 C CB B ALA U 241 0.5964 1.0956 0.9954 0.0171 -0.1317 -0.0252 251 ALA a CB ? ? 1 +27738 N N A HIS U 242 0.5442 1.0289 0.9216 0.0165 -0.1425 -0.0361 252 HIS a N ? ? 1 +27739 N N B HIS U 242 0.6161 1.1014 0.9938 0.0168 -0.1430 -0.0360 252 HIS a N ? ? 1 +27740 C CA A HIS U 242 0.5512 1.0284 0.9206 0.0148 -0.1438 -0.0404 252 HIS a CA ? ? 1 +27741 C CA B HIS U 242 0.6218 1.0997 0.9918 0.0150 -0.1440 -0.0402 252 HIS a CA ? ? 1 +27742 C C A HIS U 242 0.5507 1.0332 0.9255 0.0119 -0.1533 -0.0466 252 HIS a C ? ? 1 +27743 C C B HIS U 242 0.6167 1.0998 0.9921 0.0119 -0.1535 -0.0465 252 HIS a C ? ? 1 +27744 O O A HIS U 242 0.5508 1.0331 0.9293 0.0074 -0.1542 -0.0506 252 HIS a O ? ? 1 +27745 O O B HIS U 242 0.6170 1.1002 0.9967 0.0074 -0.1540 -0.0502 252 HIS a O ? ? 1 +27746 C CB A HIS U 242 0.5689 1.0323 0.9169 0.0200 -0.1424 -0.0395 252 HIS a CB ? ? 1 +27747 C CB B HIS U 242 0.6424 1.1064 0.9910 0.0201 -0.1427 -0.0394 252 HIS a CB ? ? 1 +27748 C CG A HIS U 242 0.5820 1.0365 0.9196 0.0190 -0.1444 -0.0441 252 HIS a CG ? ? 1 +27749 C CG B HIS U 242 0.6586 1.1140 0.9972 0.0190 -0.1449 -0.0442 252 HIS a CG ? ? 1 +27750 N ND1 A HIS U 242 0.5788 1.0305 0.9191 0.0155 -0.1390 -0.0448 252 HIS a ND1 ? ? 1 +27751 N ND1 B HIS U 242 0.6573 1.1106 0.9994 0.0152 -0.1399 -0.0451 252 HIS a ND1 ? ? 1 +27752 C CD2 A HIS U 242 0.5998 1.0472 0.9238 0.0213 -0.1512 -0.0481 252 HIS a CD2 ? ? 1 +27753 C CD2 B HIS U 242 0.6793 1.1277 1.0043 0.0213 -0.1517 -0.0482 252 HIS a CD2 ? ? 1 +27754 C CE1 A HIS U 242 0.5945 1.0375 0.9230 0.0156 -0.1425 -0.0493 252 HIS a CE1 ? ? 1 +27755 C CE1 B HIS U 242 0.6756 1.1204 1.0063 0.0151 -0.1435 -0.0496 252 HIS a CE1 ? ? 1 +27756 N NE2 A HIS U 242 0.6071 1.0473 0.9255 0.0190 -0.1499 -0.0514 252 HIS a NE2 ? ? 1 +27757 N NE2 B HIS U 242 0.6878 1.1295 1.0080 0.0187 -0.1508 -0.0517 252 HIS a NE2 ? ? 1 +27758 N N A GLY U 243 0.5502 1.0375 0.9253 0.0145 -0.1605 -0.0476 253 GLY a N ? ? 1 +27759 N N B GLY U 243 0.6139 1.1014 0.9890 0.0146 -0.1610 -0.0478 253 GLY a N ? ? 1 +27760 C CA A GLY U 243 0.5509 1.0448 0.9323 0.0122 -0.1701 -0.0535 253 GLY a CA ? ? 1 +27761 C CA B GLY U 243 0.6114 1.1059 0.9937 0.0118 -0.1703 -0.0538 253 GLY a CA ? ? 1 +27762 C C A GLY U 243 0.5324 1.0386 0.9346 0.0056 -0.1699 -0.0554 253 GLY a C ? ? 1 +27763 C C B GLY U 243 0.5864 1.0928 0.9893 0.0052 -0.1694 -0.0553 253 GLY a C ? ? 1 +27764 O O A GLY U 243 0.5356 1.0451 0.9433 0.0014 -0.1750 -0.0608 253 GLY a O ? ? 1 +27765 O O B GLY U 243 0.5893 1.0983 0.9976 0.0007 -0.1735 -0.0605 253 GLY a O ? ? 1 +27766 N N A TYR U 244 0.5133 1.0259 0.9267 0.0047 -0.1638 -0.0507 254 TYR a N ? ? 1 +27767 N N B TYR U 244 0.5591 1.0722 0.9732 0.0046 -0.1638 -0.0507 254 TYR a N ? ? 1 +27768 C CA A TYR U 244 0.4947 1.0182 0.9272 -0.0013 -0.1624 -0.0517 254 TYR a CA ? ? 1 +27769 C CA B TYR U 244 0.5341 1.0581 0.9673 -0.0014 -0.1623 -0.0515 254 TYR a CA ? ? 1 +27770 C C A TYR U 244 0.4977 1.0161 0.9307 -0.0059 -0.1571 -0.0528 254 TYR a C ? ? 1 +27771 C C B TYR U 244 0.5423 1.0611 0.9758 -0.0059 -0.1570 -0.0527 254 TYR a C ? ? 1 +27772 O O A TYR U 244 0.4983 1.0201 0.9387 -0.0111 -0.1601 -0.0575 254 TYR a O ? ? 1 +27773 O O B TYR U 244 0.5438 1.0662 0.9851 -0.0112 -0.1599 -0.0573 254 TYR a O ? ? 1 +27774 C CB A TYR U 244 0.4743 1.0051 0.9173 -0.0005 -0.1573 -0.0463 254 TYR a CB ? ? 1 +27775 C CB B TYR U 244 0.5056 1.0369 0.9492 -0.0006 -0.1572 -0.0462 254 TYR a CB ? ? 1 +27776 C CG A TYR U 244 0.4543 0.9941 0.9149 -0.0066 -0.1537 -0.0464 254 TYR a CG ? ? 1 +27777 C CG B TYR U 244 0.4784 1.0185 0.9395 -0.0066 -0.1537 -0.0463 254 TYR a CG ? ? 1 +27778 C CD1 A TYR U 244 0.4456 0.9967 0.9207 -0.0105 -0.1590 -0.0502 254 TYR a CD1 ? ? 1 +27779 C CD1 B TYR U 244 0.4660 1.0172 0.9415 -0.0107 -0.1591 -0.0504 254 TYR a CD1 ? ? 1 +27780 C CD2 A TYR U 244 0.4434 0.9802 0.9060 -0.0083 -0.1450 -0.0429 254 TYR a CD2 ? ? 1 +27781 C CD2 B TYR U 244 0.4623 0.9997 0.9256 -0.0083 -0.1449 -0.0426 254 TYR a CD2 ? ? 1 +27782 C CE1 A TYR U 244 0.4302 0.9889 0.9208 -0.0161 -0.1555 -0.0503 254 TYR a CE1 ? ? 1 +27783 C CE1 B TYR U 244 0.4476 1.0063 0.9384 -0.0164 -0.1555 -0.0505 254 TYR a CE1 ? ? 1 +27784 C CE2 A TYR U 244 0.4287 0.9728 0.9064 -0.0137 -0.1418 -0.0429 254 TYR a CE2 ? ? 1 +27785 C CE2 B TYR U 244 0.4449 0.9896 0.9232 -0.0136 -0.1417 -0.0427 254 TYR a CE2 ? ? 1 +27786 C CZ A TYR U 244 0.4225 0.9773 0.9138 -0.0176 -0.1469 -0.0465 254 TYR a CZ ? ? 1 +27787 C CZ B TYR U 244 0.4380 0.9930 0.9298 -0.0177 -0.1469 -0.0466 254 TYR a CZ ? ? 1 +27788 O OH A TYR U 244 0.4075 0.9690 0.9132 -0.0229 -0.1435 -0.0465 254 TYR a OH ? ? 1 +27789 O OH B TYR U 244 0.4181 0.9797 0.9240 -0.0231 -0.1434 -0.0466 254 TYR a OH ? ? 1 +27790 N N A PHE U 245 0.5009 1.0110 0.9258 -0.0039 -0.1492 -0.0486 255 PHE a N ? ? 1 +27791 N N B PHE U 245 0.5498 1.0599 0.9745 -0.0038 -0.1492 -0.0485 255 PHE a N ? ? 1 +27792 C CA A PHE U 245 0.5008 1.0064 0.9269 -0.0076 -0.1431 -0.0486 255 PHE a CA ? ? 1 +27793 C CA B PHE U 245 0.5535 1.0588 0.9791 -0.0074 -0.1431 -0.0486 255 PHE a CA ? ? 1 +27794 C C A PHE U 245 0.5149 1.0118 0.9311 -0.0092 -0.1463 -0.0537 255 PHE a C ? ? 1 +27795 C C B PHE U 245 0.5660 1.0627 0.9819 -0.0091 -0.1461 -0.0537 255 PHE a C ? ? 1 +27796 O O A PHE U 245 0.5113 1.0074 0.9326 -0.0140 -0.1444 -0.0560 255 PHE a O ? ? 1 +27797 O O B PHE U 245 0.5604 1.0563 0.9815 -0.0139 -0.1441 -0.0559 255 PHE a O ? ? 1 +27798 C CB A PHE U 245 0.5021 1.0012 0.9214 -0.0043 -0.1341 -0.0430 255 PHE a CB ? ? 1 +27799 C CB B PHE U 245 0.5606 1.0594 0.9792 -0.0040 -0.1342 -0.0430 255 PHE a CB ? ? 1 +27800 C CG A PHE U 245 0.5013 0.9970 0.9236 -0.0078 -0.1277 -0.0426 255 PHE a CG ? ? 1 +27801 C CG B PHE U 245 0.5655 1.0607 0.9867 -0.0074 -0.1276 -0.0425 255 PHE a CG ? ? 1 +27802 C CD1 A PHE U 245 0.4907 0.9943 0.9285 -0.0131 -0.1264 -0.0433 255 PHE a CD1 ? ? 1 +27803 C CD1 B PHE U 245 0.5577 1.0606 0.9943 -0.0127 -0.1264 -0.0433 255 PHE a CD1 ? ? 1 +27804 C CD2 A PHE U 245 0.5127 0.9971 0.9219 -0.0055 -0.1228 -0.0417 255 PHE a CD2 ? ? 1 +27805 C CD2 B PHE U 245 0.5816 1.0654 0.9896 -0.0049 -0.1227 -0.0415 255 PHE a CD2 ? ? 1 +27806 C CE1 A PHE U 245 0.4903 0.9900 0.9299 -0.0159 -0.1207 -0.0430 255 PHE a CE1 ? ? 1 +27807 C CE1 B PHE U 245 0.5615 1.0603 0.9997 -0.0154 -0.1205 -0.0428 255 PHE a CE1 ? ? 1 +27808 C CE2 A PHE U 245 0.5117 0.9928 0.9234 -0.0082 -0.1171 -0.0415 255 PHE a CE2 ? ? 1 +27809 C CE2 B PHE U 245 0.5842 1.0646 0.9945 -0.0075 -0.1169 -0.0412 255 PHE a CE2 ? ? 1 +27810 C CZ A PHE U 245 0.5001 0.9887 0.9268 -0.0133 -0.1162 -0.0421 255 PHE a CZ ? ? 1 +27811 C CZ B PHE U 245 0.5732 1.0609 0.9983 -0.0127 -0.1159 -0.0418 255 PHE a CZ ? ? 1 +27812 N N A GLY U 246 0.5331 1.0229 0.9346 -0.0050 -0.1509 -0.0555 256 GLY a N ? ? 1 +27813 N N B GLY U 246 0.5871 1.0765 0.9882 -0.0050 -0.1509 -0.0556 256 GLY a N ? ? 1 +27814 C CA A GLY U 246 0.5513 1.0329 0.9427 -0.0063 -0.1552 -0.0608 256 GLY a CA ? ? 1 +27815 C CA B GLY U 246 0.6085 1.0901 1.0000 -0.0065 -0.1552 -0.0610 256 GLY a CA ? ? 1 +27816 C C A GLY U 246 0.5530 1.0424 0.9563 -0.0122 -0.1618 -0.0667 256 GLY a C ? ? 1 +27817 C C B GLY U 246 0.6139 1.1034 1.0170 -0.0121 -0.1623 -0.0669 256 GLY a C ? ? 1 +27818 O O A GLY U 246 0.5596 1.0443 0.9616 -0.0162 -0.1620 -0.0705 256 GLY a O ? ? 1 +27819 O O B GLY U 246 0.6234 1.1083 1.0251 -0.0161 -0.1631 -0.0710 256 GLY a O ? ? 1 +27820 N N A ARG U 247 0.5478 1.0491 0.9626 -0.0127 -0.1672 -0.0675 257 ARG a N ? ? 1 +27821 N N B ARG U 247 0.6071 1.1085 1.0217 -0.0126 -0.1675 -0.0676 257 ARG a N ? ? 1 +27822 C CA A ARG U 247 0.5492 1.0592 0.9763 -0.0183 -0.1736 -0.0732 257 ARG a CA ? ? 1 +27823 C CA B ARG U 247 0.6097 1.1201 1.0371 -0.0181 -0.1739 -0.0732 257 ARG a CA ? ? 1 +27824 C C A ARG U 247 0.5346 1.0513 0.9780 -0.0246 -0.1685 -0.0726 257 ARG a C ? ? 1 +27825 C C B ARG U 247 0.5956 1.1128 1.0393 -0.0245 -0.1688 -0.0726 257 ARG a C ? ? 1 +27826 O O A ARG U 247 0.5373 1.0574 0.9887 -0.0305 -0.1713 -0.0774 257 ARG a O ? ? 1 +27827 O O B ARG U 247 0.6011 1.1221 1.0532 -0.0303 -0.1718 -0.0774 257 ARG a O ? ? 1 +27828 C CB A ARG U 247 0.5486 1.0692 0.9822 -0.0162 -0.1815 -0.0747 257 ARG a CB ? ? 1 +27829 C CB B ARG U 247 0.6075 1.1285 1.0413 -0.0160 -0.1818 -0.0746 257 ARG a CB ? ? 1 +27830 C CG A ARG U 247 0.5665 1.0804 0.9841 -0.0105 -0.1883 -0.0765 257 ARG a CG ? ? 1 +27831 C CG B ARG U 247 0.6244 1.1388 1.0423 -0.0105 -0.1887 -0.0766 257 ARG a CG ? ? 1 +27832 C CD A ARG U 247 0.5682 1.0928 0.9926 -0.0084 -0.1966 -0.0783 257 ARG a CD ? ? 1 +27833 C CD B ARG U 247 0.6266 1.1517 1.0513 -0.0083 -0.1970 -0.0784 257 ARG a CD ? ? 1 +27834 N NE A ARG U 247 0.5878 1.1057 0.9965 -0.0031 -0.2039 -0.0807 257 ARG a NE ? ? 1 +27835 N NE B ARG U 247 0.6460 1.1642 1.0546 -0.0027 -0.2041 -0.0806 257 ARG a NE ? ? 1 +27836 C CZ A ARG U 247 0.5964 1.1053 0.9892 0.0037 -0.2022 -0.0767 257 ARG a CZ ? ? 1 +27837 C CZ B ARG U 247 0.6531 1.1615 1.0454 0.0039 -0.2019 -0.0765 257 ARG a CZ ? ? 1 +27838 N NH1 A ARG U 247 0.5873 1.0940 0.9790 0.0062 -0.1940 -0.0701 257 ARG a NH1 ? ? 1 +27839 N NH1 B ARG U 247 0.6427 1.1485 1.0337 0.0061 -0.1934 -0.0699 257 ARG a NH1 ? ? 1 +27840 N NH2 A ARG U 247 0.6146 1.1164 0.9922 0.0081 -0.2091 -0.0794 257 ARG a NH2 ? ? 1 +27841 N NH2 B ARG U 247 0.6712 1.1722 1.0479 0.0084 -0.2086 -0.0791 257 ARG a NH2 ? ? 1 +27842 N N A LEU U 248 0.5221 1.0403 0.9699 -0.0235 -0.1608 -0.0668 258 LEU a N ? ? 1 +27843 N N B LEU U 248 0.5818 1.1004 1.0299 -0.0234 -0.1610 -0.0667 258 LEU a N ? ? 1 +27844 C CA A LEU U 248 0.5100 1.0337 0.9720 -0.0288 -0.1554 -0.0656 258 LEU a CA ? ? 1 +27845 C CA B LEU U 248 0.5717 1.0960 1.0341 -0.0288 -0.1557 -0.0656 258 LEU a CA ? ? 1 +27846 C C A LEU U 248 0.5204 1.0348 0.9775 -0.0326 -0.1519 -0.0677 258 LEU a C ? ? 1 +27847 C C B LEU U 248 0.5895 1.1043 1.0470 -0.0325 -0.1520 -0.0676 258 LEU a C ? ? 1 +27848 O O A LEU U 248 0.5147 1.0328 0.9823 -0.0387 -0.1514 -0.0703 258 LEU a O ? ? 1 +27849 O O B LEU U 248 0.5807 1.0992 1.0490 -0.0385 -0.1509 -0.0697 258 LEU a O ? ? 1 +27850 C CB A LEU U 248 0.4959 1.0220 0.9617 -0.0261 -0.1481 -0.0589 258 LEU a CB ? ? 1 +27851 C CB B LEU U 248 0.5543 1.0813 1.0209 -0.0261 -0.1485 -0.0589 258 LEU a CB ? ? 1 +27852 C CG A LEU U 248 0.4805 1.0118 0.9600 -0.0311 -0.1422 -0.0572 258 LEU a CG ? ? 1 +27853 C CG B LEU U 248 0.5354 1.0678 1.0160 -0.0311 -0.1427 -0.0573 258 LEU a CG ? ? 1 +27854 C CD1 A LEU U 248 0.4717 1.0159 0.9679 -0.0357 -0.1465 -0.0601 258 LEU a CD1 ? ? 1 +27855 C CD1 B LEU U 248 0.5258 1.0710 1.0229 -0.0358 -0.1471 -0.0603 258 LEU a CD1 ? ? 1 +27856 C CD2 A LEU U 248 0.4694 1.0011 0.9501 -0.0279 -0.1350 -0.0507 258 LEU a CD2 ? ? 1 +27857 C CD2 B LEU U 248 0.5227 1.0561 1.0050 -0.0280 -0.1357 -0.0508 258 LEU a CD2 ? ? 1 +27858 N N A ILE U 249 0.5404 1.0422 0.9813 -0.0288 -0.1492 -0.0666 259 ILE a N ? ? 1 +27859 N N B ILE U 249 0.6250 1.1272 1.0660 -0.0288 -0.1498 -0.0668 259 ILE a N ? ? 1 +27860 C CA A ILE U 249 0.5570 1.0483 0.9908 -0.0315 -0.1462 -0.0688 259 ILE a CA ? ? 1 +27861 C CA B ILE U 249 0.6580 1.1498 1.0920 -0.0315 -0.1468 -0.0690 259 ILE a CA ? ? 1 +27862 C C A ILE U 249 0.5852 1.0690 1.0065 -0.0308 -0.1530 -0.0742 259 ILE a C ? ? 1 +27863 C C B ILE U 249 0.7040 1.1885 1.1257 -0.0308 -0.1537 -0.0745 259 ILE a C ? ? 1 +27864 O O A ILE U 249 0.5898 1.0772 1.0165 -0.0354 -0.1590 -0.0796 259 ILE a O ? ? 1 +27865 O O B ILE U 249 0.7189 1.2084 1.1467 -0.0350 -0.1603 -0.0797 259 ILE a O ? ? 1 +27866 C CB A ILE U 249 0.5545 1.0373 0.9801 -0.0278 -0.1374 -0.0636 259 ILE a CB ? ? 1 +27867 C CB B ILE U 249 0.6554 1.1387 1.0813 -0.0279 -0.1378 -0.0637 259 ILE a CB ? ? 1 +27868 C CG1 A ILE U 249 0.5362 1.0273 0.9732 -0.0272 -0.1317 -0.0579 259 ILE a CG1 ? ? 1 +27869 C CG1 B ILE U 249 0.6337 1.1252 1.0709 -0.0272 -0.1320 -0.0580 259 ILE a CG1 ? ? 1 +27870 C CG2 A ILE U 249 0.5612 1.0342 0.9819 -0.0308 -0.1337 -0.0656 259 ILE a CG2 ? ? 1 +27871 C CG2 B ILE U 249 0.6655 1.1391 1.0868 -0.0310 -0.1340 -0.0657 259 ILE a CG2 ? ? 1 +27872 C CD1 A ILE U 249 0.5240 1.0226 0.9769 -0.0333 -0.1299 -0.0585 259 ILE a CD1 ? ? 1 +27873 C CD1 B ILE U 249 0.6208 1.1202 1.0742 -0.0331 -0.1302 -0.0584 259 ILE a CD1 ? ? 1 +27874 N N A PHE U 250 0.6095 1.0826 1.0138 -0.0252 -0.1516 -0.0727 260 PHE a N ? ? 1 +27875 N N B PHE U 250 0.7460 1.2186 1.1502 -0.0258 -0.1520 -0.0734 260 PHE a N ? ? 1 +27876 C CA A PHE U 250 0.6379 1.1038 1.0283 -0.0230 -0.1583 -0.0770 260 PHE a CA ? ? 1 +27877 C CA B PHE U 250 0.7904 1.2563 1.1808 -0.0233 -0.1588 -0.0775 260 PHE a CA ? ? 1 +27878 C C A PHE U 250 0.6533 1.1115 1.0284 -0.0155 -0.1554 -0.0728 260 PHE a C ? ? 1 +27879 C C B PHE U 250 0.8114 1.2710 1.1879 -0.0157 -0.1561 -0.0729 260 PHE a C ? ? 1 +27880 O O A PHE U 250 0.6464 1.1026 1.0208 -0.0132 -0.1475 -0.0675 260 PHE a O ? ? 1 +27881 O O B PHE U 250 0.7970 1.2568 1.1751 -0.0134 -0.1486 -0.0674 260 PHE a O ? ? 1 +27882 C CB A PHE U 250 0.6555 1.1119 1.0395 -0.0269 -0.1592 -0.0820 260 PHE a CB ? ? 1 +27883 C CB B PHE U 250 0.8269 1.2817 1.2084 -0.0263 -0.1593 -0.0822 260 PHE a CB ? ? 1 +27884 C CG A PHE U 250 0.6629 1.1096 1.0413 -0.0269 -0.1504 -0.0794 260 PHE a CG ? ? 1 +27885 C CG B PHE U 250 0.8541 1.3005 1.2322 -0.0268 -0.1503 -0.0794 260 PHE a CG ? ? 1 +27886 C CD2 A PHE U 250 0.6597 1.1087 1.0493 -0.0323 -0.1462 -0.0794 260 PHE a CD2 ? ? 1 +27887 C CD2 B PHE U 250 0.8827 1.3173 1.2447 -0.0214 -0.1457 -0.0770 260 PHE a CD2 ? ? 1 +27888 C CD1 A PHE U 250 0.6770 1.1123 1.0390 -0.0212 -0.1463 -0.0770 260 PHE a CD1 ? ? 1 +27889 C CD1 B PHE U 250 0.8650 1.3155 1.2561 -0.0322 -0.1462 -0.0790 260 PHE a CD1 ? ? 1 +27890 C CE2 A PHE U 250 0.6622 1.1022 1.0466 -0.0318 -0.1384 -0.0770 260 PHE a CE2 ? ? 1 +27891 C CE2 B PHE U 250 0.8947 1.3223 1.2542 -0.0214 -0.1375 -0.0745 260 PHE a CE2 ? ? 1 +27892 C CE1 A PHE U 250 0.6806 1.1077 1.0382 -0.0208 -0.1384 -0.0747 260 PHE a CE1 ? ? 1 +27893 C CE1 B PHE U 250 0.8720 1.3148 1.2599 -0.0321 -0.1382 -0.0763 260 PHE a CE1 ? ? 1 +27894 C CZ A PHE U 250 0.6719 1.1014 1.0407 -0.0260 -0.1347 -0.0748 260 PHE a CZ ? ? 1 +27895 C CZ B PHE U 250 0.8834 1.3151 1.2558 -0.0267 -0.1340 -0.0742 260 PHE a CZ ? ? 1 +27896 N N A GLN U 251 0.6776 1.1317 1.0406 -0.0117 -0.1619 -0.0752 261 GLN a N ? ? 1 +27897 N N B GLN U 251 0.8507 1.3049 1.2139 -0.0119 -0.1621 -0.0754 261 GLN a N ? ? 1 +27898 C CA A GLN U 251 0.6940 1.1430 1.0441 -0.0046 -0.1604 -0.0712 261 GLN a CA ? ? 1 +27899 C CA B GLN U 251 0.8826 1.3321 1.2333 -0.0048 -0.1607 -0.0713 261 GLN a CA ? ? 1 +27900 C C A GLN U 251 0.7055 1.1440 1.0449 -0.0014 -0.1510 -0.0669 261 GLN a C ? ? 1 +27901 C C B GLN U 251 0.9060 1.3456 1.2466 -0.0016 -0.1512 -0.0668 261 GLN a C ? ? 1 +27902 O O A GLN U 251 0.7006 1.1394 1.0378 0.0027 -0.1460 -0.0615 261 GLN a O ? ? 1 +27903 O O B GLN U 251 0.9002 1.3405 1.2393 0.0025 -0.1464 -0.0614 261 GLN a O ? ? 1 +27904 C CB A GLN U 251 0.7159 1.1587 1.0515 -0.0014 -0.1687 -0.0753 261 GLN a CB ? ? 1 +27905 C CB B GLN U 251 0.9123 1.3551 1.2480 -0.0015 -0.1688 -0.0755 261 GLN a CB ? ? 1 +27906 C CG A GLN U 251 0.7265 1.1656 1.0501 0.0059 -0.1683 -0.0713 261 GLN a CG ? ? 1 +27907 C CG B GLN U 251 0.9329 1.3728 1.2573 0.0057 -0.1690 -0.0716 261 GLN a CG ? ? 1 +27908 C CD A GLN U 251 0.7508 1.1789 1.0548 0.0099 -0.1739 -0.0746 261 GLN a CD ? ? 1 +27909 C CD B GLN U 251 0.9627 1.3920 1.2680 0.0096 -0.1749 -0.0750 261 GLN a CD ? ? 1 +27910 O OE1 A GLN U 251 0.7612 1.1889 1.0640 0.0074 -0.1816 -0.0807 261 GLN a OE1 ? ? 1 +27911 O OE1 B GLN U 251 0.9704 1.4016 1.2757 0.0079 -0.1839 -0.0808 261 GLN a OE1 ? ? 1 +27912 N NE2 A GLN U 251 0.7625 1.1809 1.0506 0.0159 -0.1697 -0.0707 261 GLN a NE2 ? ? 1 +27913 N NE2 B GLN U 251 0.9801 1.3979 1.2684 0.0150 -0.1699 -0.0717 261 GLN a NE2 ? ? 1 +27914 N N A TYR U 252 0.7209 1.1504 1.0540 -0.0035 -0.1486 -0.0695 262 TYR a N ? ? 1 +27915 N N B TYR U 252 0.9311 1.3614 1.2651 -0.0034 -0.1484 -0.0691 262 TYR a N ? ? 1 +27916 C CA A TYR U 252 0.7344 1.1527 1.0552 0.0000 -0.1406 -0.0665 262 TYR a CA ? ? 1 +27917 C CA B TYR U 252 0.9553 1.3744 1.2765 0.0003 -0.1406 -0.0660 262 TYR a CA ? ? 1 +27918 C C A TYR U 252 0.7217 1.1432 1.0531 -0.0019 -0.1318 -0.0624 262 TYR a C ? ? 1 +27919 C C B TYR U 252 0.9381 1.3603 1.2693 -0.0011 -0.1315 -0.0615 262 TYR a C ? ? 1 +27920 O O A TYR U 252 0.7240 1.1373 1.0473 0.0006 -0.1248 -0.0601 262 TYR a O ? ? 1 +27921 O O B TYR U 252 0.9311 1.3461 1.2540 0.0023 -0.1243 -0.0583 262 TYR a O ? ? 1 +27922 C CB A TYR U 252 0.7577 1.1638 1.0651 -0.0008 -0.1427 -0.0716 262 TYR a CB ? ? 1 +27923 C CB B TYR U 252 0.9944 1.4011 1.3020 -0.0003 -0.1425 -0.0710 262 TYR a CB ? ? 1 +27924 C CG A TYR U 252 0.7792 1.1816 1.0753 0.0013 -0.1518 -0.0759 262 TYR a CG ? ? 1 +27925 C CG B TYR U 252 1.0311 1.4343 1.3277 0.0017 -0.1516 -0.0753 262 TYR a CG ? ? 1 +27926 C CD2 A TYR U 252 0.7884 1.1952 1.0905 -0.0033 -0.1603 -0.0818 262 TYR a CD2 ? ? 1 +27927 C CD2 B TYR U 252 1.0481 1.4431 1.3275 0.0082 -0.1516 -0.0736 262 TYR a CD2 ? ? 1 +27928 C CD1 A TYR U 252 0.7925 1.1873 1.0721 0.0078 -0.1518 -0.0740 262 TYR a CD1 ? ? 1 +27929 C CD1 B TYR U 252 1.0553 1.4639 1.3588 -0.0029 -0.1603 -0.0810 262 TYR a CD1 ? ? 1 +27930 C CE2 A TYR U 252 0.8053 1.2093 1.0974 -0.0013 -0.1691 -0.0860 262 TYR a CE2 ? ? 1 +27931 C CE2 B TYR U 252 1.0738 1.4654 1.3425 0.0103 -0.1603 -0.0775 262 TYR a CE2 ? ? 1 +27932 C CE1 A TYR U 252 0.8105 1.2015 1.0790 0.0100 -0.1603 -0.0780 262 TYR a CE1 ? ? 1 +27933 C CE1 B TYR U 252 1.0791 1.4852 1.3730 -0.0009 -0.1692 -0.0852 262 TYR a CE1 ? ? 1 +27934 C CZ A TYR U 252 0.8182 1.2141 1.0931 0.0055 -0.1692 -0.0840 262 TYR a CZ ? ? 1 +27935 C CZ B TYR U 252 1.0935 1.4909 1.3696 0.0059 -0.1693 -0.0834 262 TYR a CZ ? ? 1 +27936 O OH A TYR U 252 0.8374 1.2300 1.1016 0.0079 -0.1782 -0.0882 262 TYR a OH ? ? 1 +27937 O OH B TYR U 252 1.1241 1.5186 1.3899 0.0082 -0.1784 -0.0875 262 TYR a OH ? ? 1 +27938 N N A ALA U 253 0.7093 1.1429 1.0587 -0.0060 -0.1322 -0.0615 263 ALA a N ? ? 1 +27939 N N B ALA U 253 0.9292 1.3625 1.2783 -0.0059 -0.1318 -0.0613 263 ALA a N ? ? 1 +27940 C CA A ALA U 253 0.6957 1.1338 1.0560 -0.0074 -0.1244 -0.0571 263 ALA a CA ? ? 1 +27941 C CA B ALA U 253 0.9157 1.3537 1.2758 -0.0071 -0.1241 -0.0568 263 ALA a CA ? ? 1 +27942 C C A ALA U 253 0.6851 1.1297 1.0493 -0.0037 -0.1212 -0.0515 263 ALA a C ? ? 1 +27943 C C B ALA U 253 0.8985 1.3441 1.2638 -0.0038 -0.1214 -0.0513 263 ALA a C ? ? 1 +27944 O O A ALA U 253 0.6814 1.1301 1.0541 -0.0040 -0.1147 -0.0474 263 ALA a O ? ? 1 +27945 O O B ALA U 253 0.9109 1.3616 1.2861 -0.0046 -0.1154 -0.0475 263 ALA a O ? ? 1 +27946 C CB A ALA U 253 0.6862 1.1328 1.0632 -0.0140 -0.1260 -0.0593 263 ALA a CB ? ? 1 +27947 C CB B ALA U 253 0.9108 1.3567 1.2871 -0.0138 -0.1254 -0.0591 263 ALA a CB ? ? 1 +27948 N N A SER U 254 0.6867 1.1319 1.0444 -0.0001 -0.1259 -0.0514 264 SER a N ? ? 1 +27949 N N B SER U 254 0.8849 1.3303 1.2428 0.0001 -0.1258 -0.0511 264 SER a N ? ? 1 +27950 C CA A SER U 254 0.6732 1.1248 1.0349 0.0030 -0.1243 -0.0465 264 SER a CA ? ? 1 +27951 C CA B SER U 254 0.8564 1.3086 1.2186 0.0031 -0.1245 -0.0464 264 SER a CA ? ? 1 +27952 C C A SER U 254 0.6770 1.1194 1.0226 0.0092 -0.1202 -0.0432 264 SER a C ? ? 1 +27953 C C B SER U 254 0.8502 1.2935 1.1964 0.0093 -0.1206 -0.0431 264 SER a C ? ? 1 +27954 O O A SER U 254 0.6964 1.1294 1.0266 0.0119 -0.1231 -0.0456 264 SER a O ? ? 1 +27955 O O B SER U 254 0.8696 1.3046 1.2010 0.0122 -0.1245 -0.0455 264 SER a O ? ? 1 +27956 C CB A SER U 254 0.6719 1.1319 1.0395 0.0025 -0.1328 -0.0486 264 SER a CB ? ? 1 +27957 C CB B SER U 254 0.8488 1.3096 1.2173 0.0022 -0.1332 -0.0488 264 SER a CB ? ? 1 +27958 O OG A SER U 254 0.6644 1.1302 1.0353 0.0057 -0.1317 -0.0441 264 SER a OG ? ? 1 +27959 O OG B SER U 254 0.8336 1.3005 1.2060 0.0052 -0.1325 -0.0445 264 SER a OG ? ? 1 +27960 N N A PHE U 255 0.6597 1.1049 1.0090 0.0112 -0.1132 -0.0377 265 PHE a N ? ? 1 +27961 N N B PHE U 255 0.8236 1.2684 1.1727 0.0112 -0.1129 -0.0377 265 PHE a N ? ? 1 +27962 C CA A PHE U 255 0.6635 1.1013 0.9994 0.0167 -0.1087 -0.0341 265 PHE a CA ? ? 1 +27963 C CA B PHE U 255 0.8233 1.2607 1.1589 0.0167 -0.1084 -0.0341 265 PHE a CA ? ? 1 +27964 C C A PHE U 255 0.6570 1.0966 0.9885 0.0200 -0.1136 -0.0329 265 PHE a C ? ? 1 +27965 C C B PHE U 255 0.8044 1.2437 1.1357 0.0200 -0.1132 -0.0328 265 PHE a C ? ? 1 +27966 O O A PHE U 255 0.6516 1.1013 0.9953 0.0186 -0.1161 -0.0317 265 PHE a O ? ? 1 +27967 O O B PHE U 255 0.8096 1.2589 1.1531 0.0188 -0.1151 -0.0312 265 PHE a O ? ? 1 +27968 C CB A PHE U 255 0.6543 1.0949 0.9965 0.0174 -0.0993 -0.0287 265 PHE a CB ? ? 1 +27969 C CB B PHE U 255 0.8157 1.2559 1.1576 0.0174 -0.0990 -0.0286 265 PHE a CB ? ? 1 +27970 C CG A PHE U 255 0.6526 1.0906 0.9976 0.0155 -0.0931 -0.0287 265 PHE a CG ? ? 1 +27971 C CG B PHE U 255 0.8134 1.2511 1.1583 0.0155 -0.0927 -0.0286 265 PHE a CG ? ? 1 +27972 C CD2 A PHE U 255 0.6618 1.0897 0.9940 0.0188 -0.0872 -0.0278 265 PHE a CD2 ? ? 1 +27973 C CD2 B PHE U 255 0.8022 1.2480 1.1629 0.0110 -0.0918 -0.0288 265 PHE a CD2 ? ? 1 +27974 C CD1 A PHE U 255 0.6420 1.0872 1.0019 0.0107 -0.0929 -0.0296 265 PHE a CD1 ? ? 1 +27975 C CD1 B PHE U 255 0.8193 1.2468 1.1512 0.0186 -0.0872 -0.0281 265 PHE a CD1 ? ? 1 +27976 C CE2 A PHE U 255 0.6580 1.0836 0.9929 0.0175 -0.0817 -0.0279 265 PHE a CE2 ? ? 1 +27977 C CE2 B PHE U 255 0.7937 1.2367 1.1567 0.0097 -0.0861 -0.0287 265 PHE a CE2 ? ? 1 +27978 C CE1 A PHE U 255 0.6385 1.0808 1.0004 0.0095 -0.0873 -0.0295 265 PHE a CE1 ? ? 1 +27979 C CE1 B PHE U 255 0.8121 1.2375 1.1470 0.0174 -0.0815 -0.0281 265 PHE a CE1 ? ? 1 +27980 C CZ A PHE U 255 0.6456 1.0781 0.9950 0.0130 -0.0819 -0.0288 265 PHE a CZ ? ? 1 +27981 C CZ B PHE U 255 0.7972 1.2303 1.1474 0.0130 -0.0811 -0.0283 265 PHE a CZ ? ? 1 +27982 N N A ASN U 256 0.6571 1.0865 0.9706 0.0245 -0.1149 -0.0333 266 ASN a N ? ? 1 +27983 N N B ASN U 256 0.7822 1.2114 1.0956 0.0245 -0.1147 -0.0333 266 ASN a N ? ? 1 +27984 C CA A ASN U 256 0.6507 1.0798 0.9576 0.0286 -0.1179 -0.0312 266 ASN a CA ? ? 1 +27985 C CA B ASN U 256 0.7624 1.1913 1.0691 0.0286 -0.1175 -0.0310 266 ASN a CA ? ? 1 +27986 C C A ASN U 256 0.6398 1.0616 0.9356 0.0330 -0.1099 -0.0261 266 ASN a C ? ? 1 +27987 C C B ASN U 256 0.7366 1.1557 1.0284 0.0335 -0.1105 -0.0269 266 ASN a C ? ? 1 +27988 O O A ASN U 256 0.6438 1.0654 0.9353 0.0363 -0.1103 -0.0231 266 ASN a O ? ? 1 +27989 O O B ASN U 256 0.7483 1.1636 1.0299 0.0376 -0.1126 -0.0253 266 ASN a O ? ? 1 +27990 C CB A ASN U 256 0.6699 1.0939 0.9651 0.0305 -0.1272 -0.0357 266 ASN a CB ? ? 1 +27991 C CB B ASN U 256 0.7837 1.2107 1.0832 0.0296 -0.1279 -0.0358 266 ASN a CB ? ? 1 +27992 C CG A ASN U 256 0.6927 1.1027 0.9684 0.0335 -0.1259 -0.0374 266 ASN a CG ? ? 1 +27993 C CG B ASN U 256 0.8112 1.2260 1.0939 0.0312 -0.1296 -0.0394 266 ASN a CG ? ? 1 +27994 O OD1 A ASN U 256 0.6937 1.0975 0.9643 0.0341 -0.1179 -0.0355 266 ASN a OD1 ? ? 1 +27995 O OD1 B ASN U 256 0.8278 1.2383 1.1095 0.0293 -0.1251 -0.0406 266 ASN a OD1 ? ? 1 +27996 N ND2 A ASN U 256 0.7093 1.1142 0.9734 0.0357 -0.1340 -0.0411 266 ASN a ND2 ? ? 1 +27997 N ND2 B ASN U 256 0.8269 1.2357 1.0957 0.0350 -0.1360 -0.0413 266 ASN a ND2 ? ? 1 +27998 N N A ASN U 257 0.6235 1.0391 0.9146 0.0331 -0.1024 -0.0253 267 ASN a N ? ? 1 +27999 N N B ASN U 257 0.6960 1.1112 0.9866 0.0332 -0.1021 -0.0253 267 ASN a N ? ? 1 +28000 C CA A ASN U 257 0.6116 1.0219 0.8952 0.0365 -0.0936 -0.0205 267 ASN a CA ? ? 1 +28001 C CA B ASN U 257 0.6685 1.0783 0.9512 0.0367 -0.0935 -0.0204 267 ASN a CA ? ? 1 +28002 C C A ASN U 257 0.5802 1.0003 0.8804 0.0342 -0.0872 -0.0164 267 ASN a C ? ? 1 +28003 C C B ASN U 257 0.6269 1.0466 0.9263 0.0343 -0.0872 -0.0164 267 ASN a C ? ? 1 +28004 O O A ASN U 257 0.5694 0.9937 0.8802 0.0308 -0.0843 -0.0171 267 ASN a O ? ? 1 +28005 O O B ASN U 257 0.6138 1.0382 0.9245 0.0308 -0.0848 -0.0173 267 ASN a O ? ? 1 +28006 C CB A ASN U 257 0.6225 1.0219 0.8933 0.0381 -0.0886 -0.0217 267 ASN a CB ? ? 1 +28007 C CB B ASN U 257 0.6768 1.0755 0.9463 0.0385 -0.0884 -0.0215 267 ASN a CB ? ? 1 +28008 C CG A ASN U 257 0.6256 1.0191 0.8874 0.0419 -0.0795 -0.0172 267 ASN a CG ? ? 1 +28009 C CG B ASN U 257 0.6759 1.0690 0.9367 0.0422 -0.0792 -0.0169 267 ASN a CG ? ? 1 +28010 O OD1 A ASN U 257 0.6124 1.0121 0.8832 0.0416 -0.0741 -0.0128 267 ASN a OD1 ? ? 1 +28011 O OD1 B ASN U 257 0.6587 1.0582 0.9289 0.0418 -0.0740 -0.0126 267 ASN a OD1 ? ? 1 +28012 N ND2 A ASN U 257 0.6430 1.0244 0.8867 0.0454 -0.0775 -0.0182 267 ASN a ND2 ? ? 1 +28013 N ND2 B ASN U 257 0.6921 1.0730 0.9347 0.0458 -0.0771 -0.0177 267 ASN a ND2 ? ? 1 +28014 N N A SER U 258 0.5639 0.9869 0.8656 0.0360 -0.0851 -0.0122 268 SER a N ? ? 1 +28015 N N B SER U 258 0.6030 1.0251 0.9033 0.0363 -0.0844 -0.0120 268 SER a N ? ? 1 +28016 C CA A SER U 258 0.5373 0.9698 0.8545 0.0339 -0.0799 -0.0083 268 SER a CA ? ? 1 +28017 C CA B SER U 258 0.5704 1.0023 0.8866 0.0341 -0.0795 -0.0082 268 SER a CA ? ? 1 +28018 C C A SER U 258 0.5251 0.9555 0.8429 0.0340 -0.0700 -0.0059 268 SER a C ? ? 1 +28019 C C B SER U 258 0.5529 0.9829 0.8700 0.0342 -0.0695 -0.0055 268 SER a C ? ? 1 +28020 O O A SER U 258 0.5096 0.9480 0.8418 0.0312 -0.0663 -0.0044 268 SER a O ? ? 1 +28021 O O B SER U 258 0.5356 0.9739 0.8671 0.0317 -0.0656 -0.0035 268 SER a O ? ? 1 +28022 C CB A SER U 258 0.5365 0.9711 0.8531 0.0361 -0.0800 -0.0045 268 SER a CB ? ? 1 +28023 C CB B SER U 258 0.5696 1.0038 0.8856 0.0362 -0.0801 -0.0046 268 SER a CB ? ? 1 +28024 O OG A SER U 258 0.5203 0.9642 0.8521 0.0339 -0.0754 -0.0010 268 SER a OG ? ? 1 +28025 O OG B SER U 258 0.5528 0.9972 0.8852 0.0337 -0.0765 -0.0015 268 SER a OG ? ? 1 +28026 N N A ARG U 259 0.5303 0.9499 0.8321 0.0374 -0.0659 -0.0056 269 ARG a N ? ? 1 +28027 N N B ARG U 259 0.5532 0.9726 0.8548 0.0374 -0.0655 -0.0056 269 ARG a N ? ? 1 +28028 C CA A ARG U 259 0.5218 0.9392 0.8233 0.0381 -0.0565 -0.0035 269 ARG a CA ? ? 1 +28029 C CA B ARG U 259 0.5410 0.9584 0.8427 0.0380 -0.0561 -0.0035 269 ARG a CA ? ? 1 +28030 C C A ARG U 259 0.5132 0.9322 0.8216 0.0354 -0.0559 -0.0065 269 ARG a C ? ? 1 +28031 C C B ARG U 259 0.5327 0.9514 0.8408 0.0353 -0.0559 -0.0067 269 ARG a C ? ? 1 +28032 O O A ARG U 259 0.5002 0.9251 0.8201 0.0337 -0.0504 -0.0047 269 ARG a O ? ? 1 +28033 O O B ARG U 259 0.5198 0.9438 0.8388 0.0337 -0.0503 -0.0051 269 ARG a O ? ? 1 +28034 C CB A ARG U 259 0.5373 0.9425 0.8194 0.0425 -0.0523 -0.0027 269 ARG a CB ? ? 1 +28035 C CB B ARG U 259 0.5535 0.9590 0.8363 0.0425 -0.0516 -0.0025 269 ARG a CB ? ? 1 +28036 C CG A ARG U 259 0.5402 0.9434 0.8156 0.0452 -0.0514 0.0010 269 ARG a CG ? ? 1 +28037 C CG B ARG U 259 0.5537 0.9578 0.8307 0.0449 -0.0506 0.0013 269 ARG a CG ? ? 1 +28038 C CD A ARG U 259 0.5553 0.9473 0.8132 0.0492 -0.0451 0.0028 269 ARG a CD ? ? 1 +28039 C CD B ARG U 259 0.5684 0.9610 0.8274 0.0491 -0.0450 0.0029 269 ARG a CD ? ? 1 +28040 N NE A ARG U 259 0.5557 0.9469 0.8102 0.0510 -0.0425 0.0071 269 ARG a NE ? ? 1 +28041 N NE B ARG U 259 0.5676 0.9596 0.8233 0.0508 -0.0426 0.0072 269 ARG a NE ? ? 1 +28042 C CZ A ARG U 259 0.5671 0.9499 0.8085 0.0541 -0.0358 0.0099 269 ARG a CZ ? ? 1 +28043 C CZ B ARG U 259 0.5785 0.9622 0.8211 0.0539 -0.0359 0.0100 269 ARG a CZ ? ? 1 +28044 N NH1 A ARG U 259 0.5799 0.9539 0.8091 0.0563 -0.0313 0.0087 269 ARG a NH1 ? ? 1 +28045 N NH1 B ARG U 259 0.5924 0.9669 0.8223 0.0562 -0.0315 0.0088 269 ARG a NH1 ? ? 1 +28046 N NH2 A ARG U 259 0.5667 0.9497 0.8071 0.0550 -0.0332 0.0140 269 ARG a NH2 ? ? 1 +28047 N NH2 B ARG U 259 0.5774 0.9615 0.8195 0.0547 -0.0333 0.0141 269 ARG a NH2 ? ? 1 +28048 N N A SER U 260 0.5196 0.9331 0.8209 0.0350 -0.0617 -0.0111 270 SER a N ? ? 1 +28049 N N B SER U 260 0.5390 0.9525 0.8403 0.0349 -0.0622 -0.0113 270 SER a N ? ? 1 +28050 C CA A SER U 260 0.5132 0.9271 0.8201 0.0322 -0.0619 -0.0143 270 SER a CA ? ? 1 +28051 C CA B SER U 260 0.5319 0.9465 0.8395 0.0318 -0.0634 -0.0148 270 SER a CA ? ? 1 +28052 C C A SER U 260 0.4919 0.9177 0.8183 0.0276 -0.0641 -0.0143 270 SER a C ? ? 1 +28053 C C B SER U 260 0.5087 0.9354 0.8362 0.0274 -0.0644 -0.0141 270 SER a C ? ? 1 +28054 O O A SER U 260 0.4841 0.9127 0.8191 0.0255 -0.0605 -0.0144 270 SER a O ? ? 1 +28055 O O B SER U 260 0.5007 0.9303 0.8367 0.0257 -0.0599 -0.0137 270 SER a O ? ? 1 +28056 C CB A SER U 260 0.5273 0.9332 0.8230 0.0322 -0.0685 -0.0195 270 SER a CB ? ? 1 +28057 C CB B SER U 260 0.5440 0.9527 0.8430 0.0312 -0.0716 -0.0200 270 SER a CB ? ? 1 +28058 O OG A SER U 260 0.5455 0.9394 0.8228 0.0364 -0.0657 -0.0199 270 SER a OG ? ? 1 +28059 O OG B SER U 260 0.5637 0.9604 0.8434 0.0353 -0.0710 -0.0209 270 SER a OG ? ? 1 +28060 N N A LEU U 261 0.4827 0.9151 0.8154 0.0262 -0.0699 -0.0141 271 LEU a N ? ? 1 +28061 N N B LEU U 261 0.4977 0.9313 0.8322 0.0259 -0.0702 -0.0140 271 LEU a N ? ? 1 +28062 C CA A LEU U 261 0.4630 0.9068 0.8139 0.0220 -0.0720 -0.0139 271 LEU a CA ? ? 1 +28063 C CA B LEU U 261 0.4772 0.9223 0.8300 0.0217 -0.0718 -0.0135 271 LEU a CA ? ? 1 +28064 C C A LEU U 261 0.4467 0.8968 0.8084 0.0215 -0.0643 -0.0095 271 LEU a C ? ? 1 +28065 C C B LEU U 261 0.4575 0.9086 0.8207 0.0214 -0.0640 -0.0092 271 LEU a C ? ? 1 +28066 O O A LEU U 261 0.4360 0.8909 0.8088 0.0187 -0.0624 -0.0099 271 LEU a O ? ? 1 +28067 O O B LEU U 261 0.4460 0.9018 0.8202 0.0185 -0.0621 -0.0095 271 LEU a O ? ? 1 +28068 C CB A LEU U 261 0.4604 0.9100 0.8151 0.0215 -0.0789 -0.0140 271 LEU a CB ? ? 1 +28069 C CB B LEU U 261 0.4775 0.9285 0.8343 0.0213 -0.0786 -0.0135 271 LEU a CB ? ? 1 +28070 C CG A LEU U 261 0.4420 0.9040 0.8155 0.0178 -0.0800 -0.0128 271 LEU a CG ? ? 1 +28071 C CG B LEU U 261 0.4622 0.9255 0.8376 0.0176 -0.0798 -0.0124 271 LEU a CG ? ? 1 +28072 C CD1 A LEU U 261 0.4361 0.9015 0.8190 0.0132 -0.0826 -0.0164 271 LEU a CD1 ? ? 1 +28073 C CD1 B LEU U 261 0.4573 0.9240 0.8417 0.0131 -0.0828 -0.0162 271 LEU a CD1 ? ? 1 +28074 C CD2 A LEU U 261 0.4409 0.9080 0.8169 0.0183 -0.0860 -0.0125 271 LEU a CD2 ? ? 1 +28075 C CD2 B LEU U 261 0.4642 0.9323 0.8417 0.0182 -0.0856 -0.0119 271 LEU a CD2 ? ? 1 +28076 N N A HIS U 262 0.4452 0.8950 0.8035 0.0244 -0.0601 -0.0055 272 HIS a N ? ? 1 +28077 N N B HIS U 262 0.4532 0.9039 0.8128 0.0242 -0.0597 -0.0052 272 HIS a N ? ? 1 +28078 C CA A HIS U 262 0.4311 0.8874 0.7998 0.0239 -0.0532 -0.0015 272 HIS a CA ? ? 1 +28079 C CA B HIS U 262 0.4371 0.8941 0.8070 0.0238 -0.0528 -0.0012 272 HIS a CA ? ? 1 +28080 C C A HIS U 262 0.4326 0.8854 0.7998 0.0248 -0.0460 -0.0012 272 HIS a C ? ? 1 +28081 C C B HIS U 262 0.4375 0.8909 0.8057 0.0247 -0.0457 -0.0010 272 HIS a C ? ? 1 +28082 O O A HIS U 262 0.4203 0.8796 0.7992 0.0233 -0.0416 0.0007 272 HIS a O ? ? 1 +28083 O O B HIS U 262 0.4248 0.8845 0.8045 0.0232 -0.0413 0.0009 272 HIS a O ? ? 1 +28084 C CB A HIS U 262 0.4308 0.8872 0.7958 0.0265 -0.0507 0.0026 272 HIS a CB ? ? 1 +28085 C CB B HIS U 262 0.4355 0.8930 0.8021 0.0262 -0.0503 0.0029 272 HIS a CB ? ? 1 +28086 C CG A HIS U 262 0.4221 0.8853 0.7943 0.0252 -0.0563 0.0033 272 HIS a CG ? ? 1 +28087 C CG B HIS U 262 0.4267 0.8907 0.8002 0.0250 -0.0562 0.0035 272 HIS a CG ? ? 1 +28088 N ND1 A HIS U 262 0.4312 0.8904 0.7940 0.0270 -0.0628 0.0019 272 HIS a ND1 ? ? 1 +28089 N ND1 B HIS U 262 0.4357 0.8956 0.7996 0.0268 -0.0627 0.0020 272 HIS a ND1 ? ? 1 +28090 C CD2 A HIS U 262 0.4054 0.8787 0.7928 0.0226 -0.0563 0.0052 272 HIS a CD2 ? ? 1 +28091 C CD2 B HIS U 262 0.4096 0.8838 0.7983 0.0223 -0.0565 0.0052 272 HIS a CD2 ? ? 1 +28092 C CE1 A HIS U 262 0.4212 0.8885 0.7941 0.0256 -0.0664 0.0030 272 HIS a CE1 ? ? 1 +28093 C CE1 B HIS U 262 0.4258 0.8937 0.7996 0.0254 -0.0666 0.0029 272 HIS a CE1 ? ? 1 +28094 N NE2 A HIS U 262 0.4044 0.8802 0.7921 0.0229 -0.0626 0.0050 272 HIS a NE2 ? ? 1 +28095 N NE2 B HIS U 262 0.4089 0.8854 0.7977 0.0226 -0.0631 0.0049 272 HIS a NE2 ? ? 1 +28096 N N A PHE U 263 0.4481 0.8907 0.8012 0.0272 -0.0452 -0.0033 273 PHE a N ? ? 1 +28097 N N B PHE U 263 0.4521 0.8954 0.8060 0.0271 -0.0450 -0.0031 273 PHE a N ? ? 1 +28098 C CA A PHE U 263 0.4509 0.8898 0.8022 0.0282 -0.0391 -0.0038 273 PHE a CA ? ? 1 +28099 C CA B PHE U 263 0.4545 0.8940 0.8066 0.0280 -0.0391 -0.0037 273 PHE a CA ? ? 1 +28100 C C A PHE U 263 0.4417 0.8844 0.8034 0.0247 -0.0412 -0.0063 273 PHE a C ? ? 1 +28101 C C B PHE U 263 0.4442 0.8873 0.8066 0.0245 -0.0416 -0.0063 273 PHE a C ? ? 1 +28102 O O A PHE U 263 0.4333 0.8793 0.8029 0.0243 -0.0362 -0.0051 273 PHE a O ? ? 1 +28103 O O B PHE U 263 0.4352 0.8817 0.8057 0.0240 -0.0367 -0.0052 273 PHE a O ? ? 1 +28104 C CB A PHE U 263 0.4707 0.8973 0.8039 0.0316 -0.0383 -0.0060 273 PHE a CB ? ? 1 +28105 C CB B PHE U 263 0.4747 0.9018 0.8087 0.0314 -0.0383 -0.0059 273 PHE a CB ? ? 1 +28106 C CG A PHE U 263 0.4743 0.8969 0.8060 0.0324 -0.0332 -0.0073 273 PHE a CG ? ? 1 +28107 C CG B PHE U 263 0.4784 0.9015 0.8111 0.0323 -0.0332 -0.0072 273 PHE a CG ? ? 1 +28108 C CD1 A PHE U 263 0.4684 0.8942 0.8054 0.0339 -0.0250 -0.0043 273 PHE a CD1 ? ? 1 +28109 C CD1 B PHE U 263 0.4726 0.8989 0.8103 0.0338 -0.0250 -0.0042 273 PHE a CD1 ? ? 1 +28110 C CD2 A PHE U 263 0.4836 0.8993 0.8090 0.0319 -0.0367 -0.0116 273 PHE a CD2 ? ? 1 +28111 C CD2 B PHE U 263 0.4872 0.9038 0.8141 0.0316 -0.0367 -0.0115 273 PHE a CD2 ? ? 1 +28112 C CE1 A PHE U 263 0.4717 0.8940 0.8075 0.0351 -0.0205 -0.0056 273 PHE a CE1 ? ? 1 +28113 C CE1 B PHE U 263 0.4760 0.8988 0.8126 0.0350 -0.0204 -0.0054 273 PHE a CE1 ? ? 1 +28114 C CE2 A PHE U 263 0.4870 0.8984 0.8105 0.0331 -0.0320 -0.0127 273 PHE a CE2 ? ? 1 +28115 C CE2 B PHE U 263 0.4905 0.9030 0.8158 0.0327 -0.0320 -0.0126 273 PHE a CE2 ? ? 1 +28116 C CZ A PHE U 263 0.4808 0.8956 0.8096 0.0349 -0.0240 -0.0097 273 PHE a CZ ? ? 1 +28117 C CZ B PHE U 263 0.4845 0.9002 0.8147 0.0346 -0.0239 -0.0095 273 PHE a CZ ? ? 1 +28118 N N A PHE U 264 0.4434 0.8850 0.8045 0.0223 -0.0487 -0.0099 274 PHE a N ? ? 1 +28119 N N B PHE U 264 0.4446 0.8868 0.8063 0.0222 -0.0492 -0.0099 274 PHE a N ? ? 1 +28120 C CA A PHE U 264 0.4353 0.8800 0.8059 0.0185 -0.0513 -0.0125 274 PHE a CA ? ? 1 +28121 C CA B PHE U 264 0.4362 0.8812 0.8070 0.0183 -0.0519 -0.0125 274 PHE a CA ? ? 1 +28122 C C A PHE U 264 0.4159 0.8718 0.8037 0.0158 -0.0495 -0.0097 274 PHE a C ? ? 1 +28123 C C B PHE U 264 0.4161 0.8723 0.8042 0.0156 -0.0499 -0.0098 274 PHE a C ? ? 1 +28124 O O A PHE U 264 0.4097 0.8675 0.8048 0.0143 -0.0467 -0.0098 274 PHE a O ? ? 1 +28125 O O B PHE U 264 0.4104 0.8682 0.8055 0.0141 -0.0474 -0.0101 274 PHE a O ? ? 1 +28126 C CB A PHE U 264 0.4411 0.8843 0.8093 0.0160 -0.0600 -0.0166 274 PHE a CB ? ? 1 +28127 C CB B PHE U 264 0.4418 0.8854 0.8101 0.0159 -0.0606 -0.0167 274 PHE a CB ? ? 1 +28128 C CG A PHE U 264 0.4350 0.8810 0.8126 0.0115 -0.0629 -0.0195 274 PHE a CG ? ? 1 +28129 C CG B PHE U 264 0.4355 0.8817 0.8130 0.0115 -0.0633 -0.0196 274 PHE a CG ? ? 1 +28130 C CD1 A PHE U 264 0.4423 0.8807 0.8145 0.0112 -0.0616 -0.0223 274 PHE a CD1 ? ? 1 +28131 C CD1 B PHE U 264 0.4434 0.8816 0.8147 0.0112 -0.0623 -0.0225 274 PHE a CD1 ? ? 1 +28132 C CD2 A PHE U 264 0.4222 0.8779 0.8136 0.0076 -0.0666 -0.0195 274 PHE a CD2 ? ? 1 +28133 C CD2 B PHE U 264 0.4216 0.8777 0.8137 0.0076 -0.0663 -0.0192 274 PHE a CD2 ? ? 1 +28134 C CE1 A PHE U 264 0.4376 0.8777 0.8178 0.0068 -0.0640 -0.0249 274 PHE a CE1 ? ? 1 +28135 C CE1 B PHE U 264 0.4388 0.8785 0.8180 0.0070 -0.0644 -0.0250 274 PHE a CE1 ? ? 1 +28136 C CE2 A PHE U 264 0.4175 0.8753 0.8172 0.0033 -0.0688 -0.0220 274 PHE a CE2 ? ? 1 +28137 C CE2 B PHE U 264 0.4170 0.8750 0.8171 0.0034 -0.0682 -0.0217 274 PHE a CE2 ? ? 1 +28138 C CZ A PHE U 264 0.4255 0.8752 0.8193 0.0028 -0.0674 -0.0247 274 PHE a CZ ? ? 1 +28139 C CZ B PHE U 264 0.4259 0.8755 0.8195 0.0030 -0.0673 -0.0246 274 PHE a CZ ? ? 1 +28140 N N A LEU U 265 0.4071 0.8698 0.8006 0.0155 -0.0510 -0.0073 275 LEU a N ? ? 1 +28141 N N B LEU U 265 0.4061 0.8693 0.8002 0.0154 -0.0512 -0.0072 275 LEU a N ? ? 1 +28142 C CA A LEU U 265 0.3891 0.8623 0.7981 0.0132 -0.0493 -0.0045 275 LEU a CA ? ? 1 +28143 C CA B LEU U 265 0.3876 0.8611 0.7972 0.0131 -0.0492 -0.0044 275 LEU a CA ? ? 1 +28144 C C A LEU U 265 0.3828 0.8575 0.7956 0.0148 -0.0413 -0.0016 275 LEU a C ? ? 1 +28145 C C B LEU U 265 0.3816 0.8563 0.7946 0.0148 -0.0411 -0.0015 275 LEU a C ? ? 1 +28146 O O A LEU U 265 0.3715 0.8520 0.7959 0.0126 -0.0395 -0.0008 275 LEU a O ? ? 1 +28147 O O B LEU U 265 0.3702 0.8507 0.7946 0.0127 -0.0393 -0.0008 275 LEU a O ? ? 1 +28148 C CB A LEU U 265 0.3844 0.8631 0.7965 0.0135 -0.0516 -0.0022 275 LEU a CB ? ? 1 +28149 C CB B LEU U 265 0.3821 0.8615 0.7953 0.0133 -0.0514 -0.0020 275 LEU a CB ? ? 1 +28150 C CG A LEU U 265 0.3866 0.8670 0.7988 0.0118 -0.0600 -0.0048 275 LEU a CG ? ? 1 +28151 C CG B LEU U 265 0.3848 0.8656 0.7975 0.0118 -0.0597 -0.0045 275 LEU a CG ? ? 1 +28152 C CD1 A LEU U 265 0.3808 0.8670 0.7970 0.0124 -0.0615 -0.0020 275 LEU a CD1 ? ? 1 +28153 C CD1 B LEU U 265 0.3783 0.8652 0.7955 0.0124 -0.0610 -0.0016 275 LEU a CD1 ? ? 1 +28154 C CD2 A LEU U 265 0.3785 0.8641 0.8018 0.0073 -0.0638 -0.0076 275 LEU a CD2 ? ? 1 +28155 C CD2 B LEU U 265 0.3780 0.8634 0.8008 0.0074 -0.0640 -0.0076 275 LEU a CD2 ? ? 1 +28156 N N A ALA U 266 0.3898 0.8591 0.7928 0.0185 -0.0363 0.0000 276 ALA a N ? ? 1 +28157 N N B ALA U 266 0.3883 0.8578 0.7915 0.0185 -0.0362 0.0001 276 ALA a N ? ? 1 +28158 C CA A ALA U 266 0.3850 0.8558 0.7913 0.0203 -0.0286 0.0025 276 ALA a CA ? ? 1 +28159 C CA B ALA U 266 0.3836 0.8544 0.7899 0.0203 -0.0284 0.0026 276 ALA a CA ? ? 1 +28160 C C A ALA U 266 0.3862 0.8535 0.7925 0.0202 -0.0269 0.0002 276 ALA a C ? ? 1 +28161 C C B ALA U 266 0.3850 0.8524 0.7914 0.0203 -0.0267 0.0003 276 ALA a C ? ? 1 +28162 O O A ALA U 266 0.3760 0.8486 0.7927 0.0192 -0.0241 0.0012 276 ALA a O ? ? 1 +28163 O O B ALA U 266 0.3745 0.8474 0.7915 0.0192 -0.0239 0.0014 276 ALA a O ? ? 1 +28164 C CB A ALA U 266 0.3951 0.8606 0.7903 0.0242 -0.0236 0.0044 276 ALA a CB ? ? 1 +28165 C CB B ALA U 266 0.3940 0.8593 0.7890 0.0242 -0.0235 0.0044 276 ALA a CB ? ? 1 +28166 N N A ALA U 267 0.3992 0.8569 0.7931 0.0215 -0.0289 -0.0030 277 ALA a N ? ? 1 +28167 N N B ALA U 267 0.3981 0.8560 0.7923 0.0214 -0.0288 -0.0029 277 ALA a N ? ? 1 +28168 C CA A ALA U 267 0.4036 0.8556 0.7942 0.0224 -0.0265 -0.0051 277 ALA a CA ? ? 1 +28169 C CA B ALA U 267 0.4026 0.8548 0.7935 0.0223 -0.0264 -0.0051 277 ALA a CA ? ? 1 +28170 C C A ALA U 267 0.3940 0.8495 0.7950 0.0188 -0.0289 -0.0066 277 ALA a C ? ? 1 +28171 C C B ALA U 267 0.3941 0.8494 0.7950 0.0188 -0.0291 -0.0068 277 ALA a C ? ? 1 +28172 O O A ALA U 267 0.3911 0.8469 0.7962 0.0196 -0.0249 -0.0063 277 ALA a O ? ? 1 +28173 O O B ALA U 267 0.3927 0.8473 0.7965 0.0196 -0.0253 -0.0068 277 ALA a O ? ? 1 +28174 C CB A ALA U 267 0.4209 0.8616 0.7956 0.0240 -0.0290 -0.0085 277 ALA a CB ? ? 1 +28175 C CB B ALA U 267 0.4202 0.8610 0.7950 0.0242 -0.0285 -0.0083 277 ALA a CB ? ? 1 +28176 N N A TRP U 268 0.3893 0.8475 0.7947 0.0150 -0.0355 -0.0084 278 TRP a N ? ? 1 +28177 N N B TRP U 268 0.3893 0.8477 0.7950 0.0149 -0.0355 -0.0083 278 TRP a N ? ? 1 +28178 C CA A TRP U 268 0.3831 0.8425 0.7960 0.0114 -0.0380 -0.0104 278 TRP a CA ? ? 1 +28179 C CA B TRP U 268 0.3832 0.8430 0.7966 0.0112 -0.0382 -0.0104 278 TRP a CA ? ? 1 +28180 C C A TRP U 268 0.3682 0.8353 0.7942 0.0105 -0.0342 -0.0078 278 TRP a C ? ? 1 +28181 C C B TRP U 268 0.3679 0.8353 0.7943 0.0105 -0.0341 -0.0077 278 TRP a C ? ? 1 +28182 O O A TRP U 268 0.3683 0.8325 0.7954 0.0107 -0.0318 -0.0085 278 TRP a O ? ? 1 +28183 O O B TRP U 268 0.3681 0.8326 0.7955 0.0106 -0.0318 -0.0085 278 TRP a O ? ? 1 +28184 C CB A TRP U 268 0.3811 0.8434 0.7975 0.0072 -0.0455 -0.0127 278 TRP a CB ? ? 1 +28185 C CB B TRP U 268 0.3819 0.8447 0.7990 0.0070 -0.0457 -0.0126 278 TRP a CB ? ? 1 +28186 C CG A TRP U 268 0.3761 0.8392 0.7999 0.0031 -0.0477 -0.0148 278 TRP a CG ? ? 1 +28187 C CG B TRP U 268 0.3780 0.8414 0.8022 0.0029 -0.0480 -0.0149 278 TRP a CG ? ? 1 +28188 C CD1 A TRP U 268 0.3625 0.8331 0.7993 0.0007 -0.0464 -0.0131 278 TRP a CD1 ? ? 1 +28189 C CD1 B TRP U 268 0.3647 0.8355 0.8019 0.0004 -0.0467 -0.0132 278 TRP a CD1 ? ? 1 +28190 C CD2 A TRP U 268 0.3862 0.8416 0.8040 0.0010 -0.0510 -0.0191 278 TRP a CD2 ? ? 1 +28191 C CD2 B TRP U 268 0.3893 0.8450 0.8074 0.0008 -0.0514 -0.0192 278 TRP a CD2 ? ? 1 +28192 N NE1 A TRP U 268 0.3638 0.8317 0.8030 -0.0029 -0.0487 -0.0159 278 TRP a NE1 ? ? 1 +28193 N NE1 B TRP U 268 0.3667 0.8345 0.8060 -0.0031 -0.0490 -0.0161 278 TRP a NE1 ? ? 1 +28194 C CE2 A TRP U 268 0.3780 0.8366 0.8059 -0.0029 -0.0515 -0.0197 278 TRP a CE2 ? ? 1 +28195 C CE2 B TRP U 268 0.3816 0.8402 0.8095 -0.0031 -0.0518 -0.0198 278 TRP a CE2 ? ? 1 +28196 C CE3 A TRP U 268 0.4018 0.8475 0.8065 0.0020 -0.0537 -0.0226 278 TRP a CE3 ? ? 1 +28197 C CE3 B TRP U 268 0.4059 0.8521 0.8108 0.0017 -0.0542 -0.0227 278 TRP a CE3 ? ? 1 +28198 C CZ2 A TRP U 268 0.3852 0.8375 0.8105 -0.0061 -0.0543 -0.0235 278 TRP a CZ2 ? ? 1 +28199 C CZ2 B TRP U 268 0.3897 0.8420 0.8149 -0.0063 -0.0547 -0.0237 278 TRP a CZ2 ? ? 1 +28200 C CZ3 A TRP U 268 0.4084 0.8482 0.8108 -0.0012 -0.0568 -0.0266 278 TRP a CZ3 ? ? 1 +28201 C CZ3 B TRP U 268 0.4123 0.8525 0.8148 -0.0014 -0.0574 -0.0267 278 TRP a CZ3 ? ? 1 +28202 C CH2 A TRP U 268 0.4000 0.8432 0.8128 -0.0053 -0.0569 -0.0270 278 TRP a CH2 ? ? 1 +28203 C CH2 B TRP U 268 0.4043 0.8475 0.8169 -0.0055 -0.0575 -0.0272 278 TRP a CH2 ? ? 1 +28204 N N A PRO U 269 0.3555 0.8321 0.7915 0.0097 -0.0336 -0.0046 279 PRO a N ? ? 1 +28205 N N B PRO U 269 0.3553 0.8321 0.7915 0.0098 -0.0333 -0.0045 279 PRO a N ? ? 1 +28206 C CA A PRO U 269 0.3426 0.8264 0.7907 0.0090 -0.0301 -0.0022 279 PRO a CA ? ? 1 +28207 C CA B PRO U 269 0.3423 0.8264 0.7906 0.0092 -0.0297 -0.0020 279 PRO a CA ? ? 1 +28208 C C A PRO U 269 0.3435 0.8262 0.7900 0.0130 -0.0232 -0.0003 279 PRO a C ? ? 1 +28209 C C B PRO U 269 0.3429 0.8260 0.7898 0.0132 -0.0228 0.0000 279 PRO a C ? ? 1 +28210 O O A PRO U 269 0.3374 0.8222 0.7904 0.0131 -0.0206 0.0003 279 PRO a O ? ? 1 +28211 O O B PRO U 269 0.3355 0.8215 0.7896 0.0132 -0.0201 0.0008 279 PRO a O ? ? 1 +28212 C CB A PRO U 269 0.3318 0.8249 0.7886 0.0075 -0.0316 0.0004 279 PRO a CB ? ? 1 +28213 C CB B PRO U 269 0.3316 0.8248 0.7885 0.0076 -0.0312 0.0006 279 PRO a CB ? ? 1 +28214 C CG A PRO U 269 0.3404 0.8303 0.7877 0.0093 -0.0331 0.0004 279 PRO a CG ? ? 1 +28215 C CG B PRO U 269 0.3402 0.8302 0.7875 0.0096 -0.0325 0.0007 279 PRO a CG ? ? 1 +28216 C CD A PRO U 269 0.3542 0.8346 0.7900 0.0094 -0.0365 -0.0034 279 PRO a CD ? ? 1 +28217 C CD B PRO U 269 0.3539 0.8346 0.7900 0.0096 -0.0361 -0.0032 279 PRO a CD ? ? 1 +28218 N N A VAL U 270 0.3513 0.8307 0.7891 0.0164 -0.0203 0.0006 280 VAL a N ? ? 1 +28219 N N B VAL U 270 0.3515 0.8309 0.7892 0.0166 -0.0199 0.0007 280 VAL a N ? ? 1 +28220 C CA A VAL U 270 0.3530 0.8318 0.7894 0.0202 -0.0135 0.0021 280 VAL a CA ? ? 1 +28221 C CA B VAL U 270 0.3538 0.8325 0.7900 0.0204 -0.0132 0.0022 280 VAL a CA ? ? 1 +28222 C C A VAL U 270 0.3606 0.8322 0.7919 0.0218 -0.0121 -0.0003 280 VAL a C ? ? 1 +28223 C C B VAL U 270 0.3610 0.8325 0.7922 0.0220 -0.0118 -0.0003 280 VAL a C ? ? 1 +28224 O O A VAL U 270 0.3555 0.8298 0.7931 0.0229 -0.0086 0.0005 280 VAL a O ? ? 1 +28225 O O B VAL U 270 0.3562 0.8304 0.7936 0.0232 -0.0082 0.0006 280 VAL a O ? ? 1 +28226 C CB A VAL U 270 0.3614 0.8375 0.7887 0.0232 -0.0104 0.0035 280 VAL a CB ? ? 1 +28227 C CB B VAL U 270 0.3628 0.8385 0.7896 0.0234 -0.0102 0.0034 280 VAL a CB ? ? 1 +28228 C CG1 A VAL U 270 0.3666 0.8405 0.7905 0.0273 -0.0033 0.0042 280 VAL a CG1 ? ? 1 +28229 C CG1 B VAL U 270 0.3682 0.8419 0.7918 0.0275 -0.0030 0.0042 280 VAL a CG1 ? ? 1 +28230 C CG2 A VAL U 270 0.3526 0.8365 0.7865 0.0220 -0.0105 0.0066 280 VAL a CG2 ? ? 1 +28231 C CG2 B VAL U 270 0.3544 0.8376 0.7873 0.0221 -0.0105 0.0064 280 VAL a CG2 ? ? 1 +28232 N N A VAL U 271 0.3733 0.8353 0.7930 0.0219 -0.0150 -0.0035 281 VAL a N ? ? 1 +28233 N N B VAL U 271 0.3734 0.8354 0.7932 0.0220 -0.0149 -0.0035 281 VAL a N ? ? 1 +28234 C CA A VAL U 271 0.3817 0.8355 0.7952 0.0234 -0.0139 -0.0061 281 VAL a CA ? ? 1 +28235 C CA B VAL U 271 0.3816 0.8353 0.7953 0.0233 -0.0140 -0.0061 281 VAL a CA ? ? 1 +28236 C C A VAL U 271 0.3732 0.8295 0.7961 0.0207 -0.0155 -0.0066 281 VAL a C ? ? 1 +28237 C C B VAL U 271 0.3725 0.8290 0.7959 0.0204 -0.0159 -0.0066 281 VAL a C ? ? 1 +28238 O O A VAL U 271 0.3739 0.8278 0.7975 0.0227 -0.0122 -0.0068 281 VAL a O ? ? 1 +28239 O O B VAL U 271 0.3726 0.8269 0.7970 0.0222 -0.0128 -0.0068 281 VAL a O ? ? 1 +28240 C CB A VAL U 271 0.3969 0.8399 0.7964 0.0234 -0.0177 -0.0097 281 VAL a CB ? ? 1 +28241 C CB B VAL U 271 0.3968 0.8399 0.7966 0.0232 -0.0178 -0.0097 281 VAL a CB ? ? 1 +28242 C CG1 A VAL U 271 0.4059 0.8399 0.7994 0.0245 -0.0169 -0.0125 281 VAL a CG1 ? ? 1 +28243 C CG1 B VAL U 271 0.4057 0.8397 0.7997 0.0239 -0.0176 -0.0127 281 VAL a CG1 ? ? 1 +28244 C CG2 A VAL U 271 0.4067 0.8459 0.7953 0.0268 -0.0155 -0.0091 281 VAL a CG2 ? ? 1 +28245 C CG2 B VAL U 271 0.4069 0.8458 0.7954 0.0268 -0.0154 -0.0092 281 VAL a CG2 ? ? 1 +28246 N N A GLY U 272 0.3658 0.8265 0.7956 0.0161 -0.0205 -0.0069 282 GLY a N ? ? 1 +28247 N N B GLY U 272 0.3649 0.8260 0.7951 0.0159 -0.0208 -0.0069 282 GLY a N ? ? 1 +28248 C CA A GLY U 272 0.3585 0.8213 0.7969 0.0130 -0.0222 -0.0073 282 GLY a CA ? ? 1 +28249 C CA B GLY U 272 0.3571 0.8207 0.7962 0.0126 -0.0225 -0.0072 282 GLY a CA ? ? 1 +28250 C C A GLY U 272 0.3477 0.8175 0.7962 0.0146 -0.0177 -0.0044 282 GLY a C ? ? 1 +28251 C C B GLY U 272 0.3462 0.8166 0.7954 0.0141 -0.0181 -0.0043 282 GLY a C ? ? 1 +28252 O O A GLY U 272 0.3482 0.8152 0.7981 0.0152 -0.0162 -0.0049 282 GLY a O ? ? 1 +28253 O O B GLY U 272 0.3459 0.8138 0.7971 0.0143 -0.0171 -0.0049 282 GLY a O ? ? 1 +28254 N N A VAL U 273 0.3386 0.8172 0.7938 0.0152 -0.0158 -0.0013 283 VAL a N ? ? 1 +28255 N N B VAL U 273 0.3378 0.8166 0.7931 0.0153 -0.0157 -0.0013 283 VAL a N ? ? 1 +28256 C CA A VAL U 273 0.3283 0.8145 0.7936 0.0166 -0.0118 0.0014 283 VAL a CA ? ? 1 +28257 C CA B VAL U 273 0.3276 0.8139 0.7931 0.0166 -0.0118 0.0015 283 VAL a CA ? ? 1 +28258 C C A VAL U 273 0.3340 0.8172 0.7953 0.0216 -0.0062 0.0017 283 VAL a C ? ? 1 +28259 C C B VAL U 273 0.3337 0.8169 0.7951 0.0216 -0.0062 0.0017 283 VAL a C ? ? 1 +28260 O O A VAL U 273 0.3283 0.8152 0.7966 0.0229 -0.0037 0.0028 283 VAL a O ? ? 1 +28261 O O B VAL U 273 0.3283 0.8151 0.7965 0.0230 -0.0036 0.0028 283 VAL a O ? ? 1 +28262 C CB A VAL U 273 0.3183 0.8142 0.7912 0.0157 -0.0114 0.0044 283 VAL a CB ? ? 1 +28263 C CB B VAL U 273 0.3170 0.8133 0.7906 0.0155 -0.0114 0.0045 283 VAL a CB ? ? 1 +28264 C CG1 A VAL U 273 0.3093 0.8128 0.7912 0.0177 -0.0066 0.0071 283 VAL a CG1 ? ? 1 +28265 C CG1 B VAL U 273 0.3073 0.8114 0.7905 0.0174 -0.0069 0.0072 283 VAL a CG1 ? ? 1 +28266 C CG2 A VAL U 273 0.3106 0.8110 0.7902 0.0109 -0.0166 0.0043 283 VAL a CG2 ? ? 1 +28267 C CG2 B VAL U 273 0.3097 0.8102 0.7896 0.0108 -0.0167 0.0043 283 VAL a CG2 ? ? 1 +28268 N N . TRP U 274 0.3457 0.8222 0.7958 0.0244 -0.0045 0.0005 284 TRP a N ? ? 1 +28269 C CA . TRP U 274 0.3535 0.8255 0.7982 0.0292 0.0005 0.0000 284 TRP a CA ? ? 1 +28270 C CB . TRP U 274 0.3666 0.8306 0.7976 0.0320 0.0021 -0.0014 284 TRP a CB ? ? 1 +28271 C CG . TRP U 274 0.3649 0.8336 0.7956 0.0336 0.0056 0.0009 284 TRP a CG ? ? 1 +28272 C CD1 . TRP U 274 0.3533 0.8321 0.7943 0.0338 0.0088 0.0039 284 TRP a CD1 ? ? 1 +28273 N NE1 . TRP U 274 0.3573 0.8367 0.7937 0.0351 0.0117 0.0053 284 TRP a NE1 ? ? 1 +28274 C CE2 . TRP U 274 0.3711 0.8405 0.7934 0.0361 0.0103 0.0032 284 TRP a CE2 ? ? 1 +28275 C CZ2 . TRP U 274 0.3807 0.8460 0.7929 0.0378 0.0121 0.0036 284 TRP a CZ2 ? ? 1 +28276 C CH2 . TRP U 274 0.3951 0.8497 0.7933 0.0386 0.0095 0.0009 284 TRP a CH2 ? ? 1 +28277 C CZ3 . TRP U 274 0.3994 0.8476 0.7941 0.0375 0.0053 -0.0023 284 TRP a CZ3 ? ? 1 +28278 C CE3 . TRP U 274 0.3901 0.8420 0.7948 0.0357 0.0037 -0.0026 284 TRP a CE3 ? ? 1 +28279 C CD2 . TRP U 274 0.3759 0.8386 0.7946 0.0351 0.0062 0.0003 284 TRP a CD2 ? ? 1 +28280 C C . TRP U 274 0.3583 0.8243 0.8018 0.0296 -0.0003 -0.0020 284 TRP a C ? ? 1 +28281 O O . TRP U 274 0.3561 0.8241 0.8039 0.0325 0.0032 -0.0012 284 TRP a O ? ? 1 +28282 N N A PHE U 275 0.3649 0.8236 0.8028 0.0266 -0.0050 -0.0046 285 PHE a N ? ? 1 +28283 N N B PHE U 275 0.3643 0.8231 0.8023 0.0266 -0.0050 -0.0046 285 PHE a N ? ? 1 +28284 C CA A PHE U 275 0.3699 0.8217 0.8059 0.0262 -0.0060 -0.0066 285 PHE a CA ? ? 1 +28285 C CA B PHE U 275 0.3692 0.8210 0.8051 0.0263 -0.0059 -0.0066 285 PHE a CA ? ? 1 +28286 C C A PHE U 275 0.3573 0.8159 0.8054 0.0245 -0.0062 -0.0048 285 PHE a C ? ? 1 +28287 C C B PHE U 275 0.3562 0.8145 0.8041 0.0244 -0.0064 -0.0049 285 PHE a C ? ? 1 +28288 O O A PHE U 275 0.3597 0.8148 0.8080 0.0265 -0.0045 -0.0052 285 PHE a O ? ? 1 +28289 O O B PHE U 275 0.3586 0.8132 0.8066 0.0261 -0.0050 -0.0053 285 PHE a O ? ? 1 +28290 C CB A PHE U 275 0.3793 0.8225 0.8075 0.0225 -0.0112 -0.0099 285 PHE a CB ? ? 1 +28291 C CB B PHE U 275 0.3798 0.8223 0.8071 0.0228 -0.0109 -0.0100 285 PHE a CB ? ? 1 +28292 C CG A PHE U 275 0.3958 0.8288 0.8097 0.0253 -0.0104 -0.0123 285 PHE a CG ? ? 1 +28293 C CG B PHE U 275 0.3964 0.8292 0.8096 0.0259 -0.0099 -0.0123 285 PHE a CG ? ? 1 +28294 C CD1 A PHE U 275 0.4055 0.8312 0.8125 0.0298 -0.0066 -0.0133 285 PHE a CD1 ? ? 1 +28295 C CD1 B PHE U 275 0.4062 0.8316 0.8126 0.0304 -0.0061 -0.0133 285 PHE a CD1 ? ? 1 +28296 C CD2 A PHE U 275 0.4022 0.8330 0.8094 0.0237 -0.0136 -0.0137 285 PHE a CD2 ? ? 1 +28297 C CD2 B PHE U 275 0.4030 0.8339 0.8095 0.0245 -0.0128 -0.0134 285 PHE a CD2 ? ? 1 +28298 C CE1 A PHE U 275 0.4205 0.8367 0.8140 0.0325 -0.0057 -0.0157 285 PHE a CE1 ? ? 1 +28299 C CE1 B PHE U 275 0.4210 0.8372 0.8141 0.0333 -0.0050 -0.0155 285 PHE a CE1 ? ? 1 +28300 C CE2 A PHE U 275 0.4174 0.8386 0.8108 0.0264 -0.0130 -0.0160 285 PHE a CE2 ? ? 1 +28301 C CE2 B PHE U 275 0.4182 0.8397 0.8110 0.0275 -0.0118 -0.0156 285 PHE a CE2 ? ? 1 +28302 C CZ A PHE U 275 0.4264 0.8401 0.8130 0.0308 -0.0089 -0.0169 285 PHE a CZ ? ? 1 +28303 C CZ B PHE U 275 0.4268 0.8410 0.8130 0.0318 -0.0078 -0.0166 285 PHE a CZ ? ? 1 +28304 N N A ALA U 276 0.3449 0.8128 0.8026 0.0211 -0.0082 -0.0029 286 ALA a N ? ? 1 +28305 N N B ALA U 276 0.3431 0.8109 0.8007 0.0211 -0.0083 -0.0029 286 ALA a N ? ? 1 +28306 C CA A ALA U 276 0.3330 0.8079 0.8022 0.0197 -0.0082 -0.0010 286 ALA a CA ? ? 1 +28307 C CA B ALA U 276 0.3309 0.8056 0.7999 0.0196 -0.0083 -0.0011 286 ALA a CA ? ? 1 +28308 C C A ALA U 276 0.3291 0.8084 0.8026 0.0245 -0.0031 0.0009 286 ALA a C ? ? 1 +28309 C C B ALA U 276 0.3259 0.8054 0.7997 0.0243 -0.0034 0.0010 286 ALA a C ? ? 1 +28310 O O A ALA U 276 0.3282 0.8062 0.8042 0.0261 -0.0021 0.0010 286 ALA a O ? ? 1 +28311 O O B ALA U 276 0.3241 0.8028 0.8010 0.0255 -0.0024 0.0011 286 ALA a O ? ? 1 +28312 C CB A ALA U 276 0.3212 0.8053 0.7992 0.0157 -0.0108 0.0008 286 ALA a CB ? ? 1 +28313 C CB B ALA U 276 0.3192 0.8029 0.7970 0.0154 -0.0111 0.0006 286 ALA a CB ? ? 1 +28314 N N A ALA U 277 0.3275 0.8120 0.8017 0.0269 0.0000 0.0024 287 ALA a N ? ? 1 +28315 N N B ALA U 277 0.3243 0.8086 0.7984 0.0268 -0.0001 0.0024 287 ALA a N ? ? 1 +28316 C CA A ALA U 277 0.3245 0.8143 0.8033 0.0314 0.0050 0.0040 287 ALA a CA ? ? 1 +28317 C CA B ALA U 277 0.3207 0.8105 0.7997 0.0312 0.0048 0.0040 287 ALA a CA ? ? 1 +28318 C C A ALA U 277 0.3346 0.8165 0.8066 0.0359 0.0075 0.0023 287 ALA a C ? ? 1 +28319 C C B ALA U 277 0.3302 0.8122 0.8024 0.0358 0.0074 0.0023 287 ALA a C ? ? 1 +28320 O O A ALA U 277 0.3307 0.8159 0.8083 0.0388 0.0098 0.0030 287 ALA a O ? ? 1 +28321 O O B ALA U 277 0.3261 0.8115 0.8040 0.0388 0.0098 0.0031 287 ALA a O ? ? 1 +28322 C CB A ALA U 277 0.3245 0.8189 0.8026 0.0329 0.0082 0.0054 287 ALA a CB ? ? 1 +28323 C CB B ALA U 277 0.3201 0.8149 0.7989 0.0327 0.0080 0.0054 287 ALA a CB ? ? 1 +28324 N N A LEU U 278 0.3476 0.8190 0.8075 0.0365 0.0068 -0.0002 288 LEU a N ? ? 1 +28325 N N B LEU U 278 0.3428 0.8142 0.8029 0.0364 0.0066 -0.0002 288 LEU a N ? ? 1 +28326 C CA A LEU U 278 0.3590 0.8216 0.8110 0.0410 0.0091 -0.0021 288 LEU a CA ? ? 1 +28327 C CA B LEU U 278 0.3541 0.8165 0.8061 0.0407 0.0088 -0.0022 288 LEU a CA ? ? 1 +28328 C C A LEU U 278 0.3596 0.8170 0.8124 0.0401 0.0068 -0.0031 288 LEU a C ? ? 1 +28329 C C B LEU U 278 0.3549 0.8115 0.8070 0.0395 0.0063 -0.0033 288 LEU a C ? ? 1 +28330 O O A LEU U 278 0.3650 0.8184 0.8155 0.0443 0.0092 -0.0037 288 LEU a O ? ? 1 +28331 O O B LEU U 278 0.3618 0.8127 0.8101 0.0435 0.0084 -0.0043 288 LEU a O ? ? 1 +28332 C CB A LEU U 278 0.3736 0.8260 0.8118 0.0417 0.0088 -0.0046 288 LEU a CB ? ? 1 +28333 C CB B LEU U 278 0.3685 0.8210 0.8069 0.0415 0.0087 -0.0046 288 LEU a CB ? ? 1 +28334 C CG A LEU U 278 0.3764 0.8318 0.8115 0.0442 0.0125 -0.0038 288 LEU a CG ? ? 1 +28335 C CG B LEU U 278 0.3713 0.8268 0.8065 0.0441 0.0124 -0.0038 288 LEU a CG ? ? 1 +28336 C CD1 A LEU U 278 0.3916 0.8359 0.8119 0.0449 0.0118 -0.0064 288 LEU a CD1 ? ? 1 +28337 C CD1 B LEU U 278 0.3864 0.8308 0.8069 0.0448 0.0117 -0.0064 288 LEU a CD1 ? ? 1 +28338 C CD2 A LEU U 278 0.3750 0.8355 0.8143 0.0496 0.0184 -0.0026 288 LEU a CD2 ? ? 1 +28339 C CD2 B LEU U 278 0.3702 0.8304 0.8095 0.0496 0.0184 -0.0027 288 LEU a CD2 ? ? 1 +28340 N N A GLY U 279 0.3544 0.8118 0.8101 0.0346 0.0024 -0.0032 289 GLY a N ? ? 1 +28341 N N B GLY U 279 0.3482 0.8060 0.8044 0.0340 0.0019 -0.0032 289 GLY a N ? ? 1 +28342 C CA A GLY U 279 0.3542 0.8071 0.8112 0.0330 0.0004 -0.0038 289 GLY a CA ? ? 1 +28343 C CA B GLY U 279 0.3475 0.8010 0.8052 0.0323 -0.0001 -0.0037 289 GLY a CA ? ? 1 +28344 C C A GLY U 279 0.3450 0.8051 0.8116 0.0358 0.0025 -0.0015 289 GLY a C ? ? 1 +28345 C C B GLY U 279 0.3383 0.7987 0.8054 0.0351 0.0021 -0.0015 289 GLY a C ? ? 1 +28346 O O A GLY U 279 0.3510 0.8057 0.8152 0.0391 0.0038 -0.0021 289 GLY a O ? ? 1 +28347 O O B GLY U 279 0.3442 0.7989 0.8087 0.0381 0.0032 -0.0021 289 GLY a O ? ? 1 +28348 N N A ILE U 280 0.3311 0.8033 0.8085 0.0344 0.0028 0.0010 290 ILE a N ? ? 1 +28349 N N B ILE U 280 0.3246 0.7972 0.8022 0.0343 0.0027 0.0010 290 ILE a N ? ? 1 +28350 C CA A ILE U 280 0.3218 0.8021 0.8090 0.0368 0.0046 0.0030 290 ILE a CA ? ? 1 +28351 C CA B ILE U 280 0.3157 0.7960 0.8030 0.0366 0.0045 0.0031 290 ILE a CA ? ? 1 +28352 C C A ILE U 280 0.3268 0.8073 0.8124 0.0435 0.0091 0.0029 290 ILE a C ? ? 1 +28353 C C B ILE U 280 0.3208 0.8010 0.8063 0.0433 0.0089 0.0028 290 ILE a C ? ? 1 +28354 O O A ILE U 280 0.3266 0.8073 0.8150 0.0469 0.0102 0.0032 290 ILE a O ? ? 1 +28355 O O B ILE U 280 0.3210 0.8009 0.8089 0.0466 0.0099 0.0031 290 ILE a O ? ? 1 +28356 C CB A ILE U 280 0.3077 0.8006 0.8060 0.0340 0.0042 0.0055 290 ILE a CB ? ? 1 +28357 C CB B ILE U 280 0.3016 0.7946 0.8000 0.0339 0.0041 0.0055 290 ILE a CB ? ? 1 +28358 C CG1 A ILE U 280 0.3025 0.7956 0.8029 0.0277 -0.0003 0.0056 290 ILE a CG1 ? ? 1 +28359 C CG1 B ILE U 280 0.2964 0.7898 0.7968 0.0276 -0.0003 0.0056 290 ILE a CG1 ? ? 1 +28360 C CG2 A ILE U 280 0.2986 0.8004 0.8073 0.0366 0.0060 0.0075 290 ILE a CG2 ? ? 1 +28361 C CG2 B ILE U 280 0.2923 0.7942 0.8012 0.0363 0.0058 0.0075 290 ILE a CG2 ? ? 1 +28362 C CD1 A ILE U 280 0.3019 0.7911 0.8037 0.0257 -0.0025 0.0053 290 ILE a CD1 ? ? 1 +28363 C CD1 B ILE U 280 0.2962 0.7853 0.7977 0.0254 -0.0027 0.0052 290 ILE a CD1 ? ? 1 +28364 N N A SER U 281 0.3317 0.8119 0.8123 0.0455 0.0117 0.0023 291 SER a N ? ? 1 +28365 N N B SER U 281 0.3255 0.8057 0.8064 0.0454 0.0116 0.0023 291 SER a N ? ? 1 +28366 C CA A SER U 281 0.3362 0.8177 0.8159 0.0517 0.0164 0.0021 291 SER a CA ? ? 1 +28367 C CA B SER U 281 0.3297 0.8114 0.8098 0.0516 0.0163 0.0021 291 SER a CA ? ? 1 +28368 C C A SER U 281 0.3495 0.8196 0.8198 0.0558 0.0172 -0.0002 291 SER a C ? ? 1 +28369 C C B SER U 281 0.3432 0.8135 0.8138 0.0559 0.0172 -0.0001 291 SER a C ? ? 1 +28370 O O A SER U 281 0.3525 0.8241 0.8241 0.0614 0.0206 -0.0003 291 SER a O ? ? 1 +28371 O O B SER U 281 0.3459 0.8181 0.8182 0.0615 0.0206 -0.0002 291 SER a O ? ? 1 +28372 C CB A SER U 281 0.3387 0.8224 0.8151 0.0524 0.0193 0.0021 291 SER a CB ? ? 1 +28373 C CB B SER U 281 0.3319 0.8161 0.8089 0.0523 0.0192 0.0022 291 SER a CB ? ? 1 +28374 O OG A SER U 281 0.3266 0.8216 0.8124 0.0497 0.0196 0.0044 291 SER a OG ? ? 1 +28375 O OG B SER U 281 0.3195 0.8146 0.8059 0.0491 0.0191 0.0045 291 SER a OG ? ? 1 +28376 N N A THR U 282 0.3582 0.8168 0.8190 0.0532 0.0141 -0.0021 292 THR a N ? ? 1 +28377 N N B THR U 282 0.3523 0.8108 0.8131 0.0534 0.0142 -0.0021 292 THR a N ? ? 1 +28378 C CA A THR U 282 0.3713 0.8176 0.8222 0.0568 0.0147 -0.0043 292 THR a CA ? ? 1 +28379 C CA B THR U 282 0.3653 0.8117 0.8165 0.0571 0.0148 -0.0043 292 THR a CA ? ? 1 +28380 C C A THR U 282 0.3696 0.8126 0.8231 0.0564 0.0125 -0.0040 292 THR a C ? ? 1 +28381 C C B THR U 282 0.3636 0.8064 0.8170 0.0564 0.0125 -0.0040 292 THR a C ? ? 1 +28382 O O A THR U 282 0.3780 0.8146 0.8272 0.0611 0.0140 -0.0049 292 THR a O ? ? 1 +28383 O O B THR U 282 0.3726 0.8083 0.8213 0.0609 0.0137 -0.0050 292 THR a O ? ? 1 +28384 C CB A THR U 282 0.3840 0.8182 0.8219 0.0546 0.0130 -0.0069 292 THR a CB ? ? 1 +28385 C CB B THR U 282 0.3781 0.8123 0.8162 0.0552 0.0133 -0.0069 292 THR a CB ? ? 1 +28386 O OG1 A THR U 282 0.3802 0.8134 0.8190 0.0478 0.0083 -0.0071 292 THR a OG1 ? ? 1 +28387 O OG1 B THR U 282 0.3753 0.8074 0.8136 0.0484 0.0086 -0.0072 292 THR a OG1 ? ? 1 +28388 C CG2 A THR U 282 0.3885 0.8238 0.8215 0.0565 0.0157 -0.0075 292 THR a CG2 ? ? 1 +28389 C CG2 B THR U 282 0.3819 0.8177 0.8155 0.0567 0.0158 -0.0073 292 THR a CG2 ? ? 1 +28390 N N A MET U 283 0.3596 0.8067 0.8195 0.0508 0.0092 -0.0027 293 MET a N ? ? 1 +28391 N N B MET U 283 0.3533 0.8005 0.8135 0.0508 0.0092 -0.0027 293 MET a N ? ? 1 +28392 C CA A MET U 283 0.3570 0.8020 0.8201 0.0502 0.0074 -0.0020 293 MET a CA ? ? 1 +28393 C CA B MET U 283 0.3503 0.7956 0.8138 0.0501 0.0074 -0.0019 293 MET a CA ? ? 1 +28394 C C A MET U 283 0.3493 0.8038 0.8217 0.0551 0.0097 -0.0001 293 MET a C ? ? 1 +28395 C C B MET U 283 0.3425 0.7974 0.8154 0.0549 0.0096 0.0000 293 MET a C ? ? 1 +28396 O O A MET U 283 0.3501 0.8019 0.8235 0.0571 0.0092 0.0003 293 MET a O ? ? 1 +28397 O O B MET U 283 0.3427 0.7952 0.8169 0.0566 0.0089 0.0005 293 MET a O ? ? 1 +28398 C CB A MET U 283 0.3487 0.7959 0.8162 0.0429 0.0035 -0.0013 293 MET a CB ? ? 1 +28399 C CB B MET U 283 0.3421 0.7897 0.8100 0.0428 0.0035 -0.0012 293 MET a CB ? ? 1 +28400 C CG A MET U 283 0.3593 0.7939 0.8170 0.0387 0.0008 -0.0037 293 MET a CG ? ? 1 +28401 C CG B MET U 283 0.3525 0.7878 0.8107 0.0386 0.0008 -0.0036 293 MET a CG ? ? 1 +28402 S SD A MET U 283 0.3512 0.7885 0.8137 0.0298 -0.0036 -0.0035 293 MET a SD ? ? 1 +28403 S SD B MET U 283 0.3441 0.7823 0.8076 0.0298 -0.0036 -0.0032 293 MET a SD ? ? 1 +28404 C CE A MET U 283 0.3446 0.7911 0.8102 0.0281 -0.0039 -0.0031 293 MET a CE ? ? 1 +28405 C CE B MET U 283 0.3370 0.7847 0.8040 0.0279 -0.0040 -0.0028 293 MET a CE ? ? 1 +28406 N N A ALA U 284 0.3426 0.8079 0.8214 0.0570 0.0123 0.0010 294 ALA a N ? ? 1 +28407 N N B ALA U 284 0.3360 0.8015 0.8151 0.0571 0.0123 0.0010 294 ALA a N ? ? 1 +28408 C CA A ALA U 284 0.3371 0.8119 0.8246 0.0620 0.0150 0.0023 294 ALA a CA ? ? 1 +28409 C CA B ALA U 284 0.3310 0.8056 0.8185 0.0623 0.0150 0.0022 294 ALA a CA ? ? 1 +28410 C C A ALA U 284 0.3487 0.8164 0.8301 0.0690 0.0172 0.0008 294 ALA a C ? ? 1 +28411 C C B ALA U 284 0.3427 0.8100 0.8241 0.0692 0.0171 0.0008 294 ALA a C ? ? 1 +28412 O O A ALA U 284 0.3453 0.8181 0.8328 0.0734 0.0181 0.0015 294 ALA a O ? ? 1 +28413 O O B ALA U 284 0.3395 0.8110 0.8265 0.0733 0.0177 0.0015 294 ALA a O ? ? 1 +28414 C CB A ALA U 284 0.3301 0.8162 0.8239 0.0624 0.0179 0.0032 294 ALA a CB ? ? 1 +28415 C CB B ALA U 284 0.3246 0.8101 0.8180 0.0630 0.0181 0.0031 294 ALA a CB ? ? 1 +28416 N N A PHE U 285 0.3625 0.8184 0.8317 0.0702 0.0179 -0.0015 295 PHE a N ? ? 1 +28417 N N B PHE U 285 0.3566 0.8127 0.8260 0.0707 0.0181 -0.0014 295 PHE a N ? ? 1 +28418 C CA A PHE U 285 0.3751 0.8222 0.8368 0.0767 0.0198 -0.0031 295 PHE a CA ? ? 1 +28419 C CA B PHE U 285 0.3698 0.8168 0.8313 0.0771 0.0200 -0.0031 295 PHE a CA ? ? 1 +28420 C C A PHE U 285 0.3852 0.8173 0.8369 0.0751 0.0169 -0.0044 295 PHE a C ? ? 1 +28421 C C B PHE U 285 0.3799 0.8120 0.8317 0.0756 0.0171 -0.0044 295 PHE a C ? ? 1 +28422 O O A PHE U 285 0.3984 0.8190 0.8397 0.0790 0.0181 -0.0064 295 PHE a O ? ? 1 +28423 O O B PHE U 285 0.3928 0.8137 0.8346 0.0797 0.0182 -0.0063 295 PHE a O ? ? 1 +28424 C CB A PHE U 285 0.3844 0.8290 0.8392 0.0801 0.0235 -0.0048 295 PHE a CB ? ? 1 +28425 C CB B PHE U 285 0.3793 0.8233 0.8336 0.0801 0.0234 -0.0049 295 PHE a CB ? ? 1 +28426 C CG A PHE U 285 0.3753 0.8341 0.8396 0.0809 0.0266 -0.0034 295 PHE a CG ? ? 1 +28427 C CG B PHE U 285 0.3705 0.8286 0.8341 0.0808 0.0266 -0.0035 295 PHE a CG ? ? 1 +28428 C CD1 A PHE U 285 0.3693 0.8388 0.8435 0.0857 0.0293 -0.0025 295 PHE a CD1 ? ? 1 +28429 C CD1 B PHE U 285 0.3647 0.8334 0.8380 0.0857 0.0293 -0.0026 295 PHE a CD1 ? ? 1 +28430 C CD2 A PHE U 285 0.3729 0.8344 0.8362 0.0765 0.0268 -0.0032 295 PHE a CD2 ? ? 1 +28431 C CD2 B PHE U 285 0.3680 0.8288 0.8306 0.0764 0.0267 -0.0033 295 PHE a CD2 ? ? 1 +28432 C CE1 A PHE U 285 0.3610 0.8434 0.8441 0.0859 0.0324 -0.0013 295 PHE a CE1 ? ? 1 +28433 C CE1 B PHE U 285 0.3565 0.8381 0.8386 0.0859 0.0325 -0.0015 295 PHE a CE1 ? ? 1 +28434 C CE2 A PHE U 285 0.3651 0.8387 0.8364 0.0770 0.0300 -0.0018 295 PHE a CE2 ? ? 1 +28435 C CE2 B PHE U 285 0.3602 0.8330 0.8307 0.0768 0.0299 -0.0019 295 PHE a CE2 ? ? 1 +28436 C CZ A PHE U 285 0.3593 0.8434 0.8406 0.0815 0.0329 -0.0009 295 PHE a CZ ? ? 1 +28437 C CZ B PHE U 285 0.3547 0.8379 0.8350 0.0814 0.0329 -0.0011 295 PHE a CZ ? ? 1 +28438 N N A ASN U 286 0.3790 0.8113 0.8340 0.0691 0.0134 -0.0033 296 ASN a N ? ? 1 +28439 N N B ASN U 286 0.3740 0.8062 0.8288 0.0693 0.0135 -0.0033 296 ASN a N ? ? 1 +28440 C CA A ASN U 286 0.3867 0.8066 0.8348 0.0669 0.0108 -0.0040 296 ASN a CA ? ? 1 +28441 C CA B ASN U 286 0.3817 0.8016 0.8297 0.0669 0.0108 -0.0040 296 ASN a CA ? ? 1 +28442 C C A ASN U 286 0.4011 0.8061 0.8355 0.0651 0.0102 -0.0067 296 ASN a C ? ? 1 +28443 C C B ASN U 286 0.3962 0.8011 0.8305 0.0650 0.0101 -0.0067 296 ASN a C ? ? 1 +28444 O O A ASN U 286 0.4125 0.8048 0.8385 0.0663 0.0095 -0.0079 296 ASN a O ? ? 1 +28445 O O B ASN U 286 0.4070 0.7994 0.8334 0.0656 0.0092 -0.0078 296 ASN a O ? ? 1 +28446 C CB A ASN U 286 0.3911 0.8079 0.8389 0.0731 0.0116 -0.0036 296 ASN a CB ? ? 1 +28447 C CB B ASN U 286 0.3857 0.8026 0.8337 0.0729 0.0115 -0.0035 296 ASN a CB ? ? 1 +28448 C CG A ASN U 286 0.3777 0.8086 0.8387 0.0748 0.0117 -0.0012 296 ASN a CG ? ? 1 +28449 C CG B ASN U 286 0.3722 0.8033 0.8334 0.0745 0.0116 -0.0011 296 ASN a CG ? ? 1 +28450 O OD1 A ASN U 286 0.3652 0.8052 0.8348 0.0697 0.0101 0.0005 296 ASN a OD1 ? ? 1 +28451 O OD1 B ASN U 286 0.3604 0.7995 0.8297 0.0692 0.0097 0.0006 296 ASN a OD1 ? ? 1 +28452 N ND2 A ASN U 286 0.3802 0.8136 0.8433 0.0823 0.0136 -0.0011 296 ASN a ND2 ? ? 1 +28453 N ND2 B ASN U 286 0.3739 0.8088 0.8379 0.0820 0.0138 -0.0010 296 ASN a ND2 ? ? 1 +28454 N N A LEU U 287 0.4014 0.8076 0.8333 0.0624 0.0103 -0.0078 297 LEU a N ? ? 1 +28455 N N B LEU U 287 0.3973 0.8031 0.8288 0.0625 0.0103 -0.0078 297 LEU a N ? ? 1 +28456 C CA A LEU U 287 0.4135 0.8068 0.8336 0.0590 0.0086 -0.0104 297 LEU a CA ? ? 1 +28457 C CA B LEU U 287 0.4096 0.8026 0.8295 0.0589 0.0086 -0.0105 297 LEU a CA ? ? 1 +28458 C C A LEU U 287 0.4060 0.8018 0.8303 0.0506 0.0048 -0.0099 297 LEU a C ? ? 1 +28459 C C B LEU U 287 0.4025 0.7980 0.8264 0.0505 0.0048 -0.0100 297 LEU a C ? ? 1 +28460 O O A LEU U 287 0.3974 0.8018 0.8266 0.0473 0.0040 -0.0094 297 LEU a O ? ? 1 +28461 O O B LEU U 287 0.3942 0.7978 0.8226 0.0472 0.0039 -0.0096 297 LEU a O ? ? 1 +28462 C CB A LEU U 287 0.4203 0.8123 0.8339 0.0611 0.0107 -0.0121 297 LEU a CB ? ? 1 +28463 C CB B LEU U 287 0.4165 0.8079 0.8296 0.0612 0.0107 -0.0122 297 LEU a CB ? ? 1 +28464 C CG A LEU U 287 0.4344 0.8123 0.8349 0.0583 0.0089 -0.0152 297 LEU a CG ? ? 1 +28465 C CG B LEU U 287 0.4301 0.8078 0.8305 0.0580 0.0088 -0.0152 297 LEU a CG ? ? 1 +28466 C CD1 A LEU U 287 0.4488 0.8120 0.8395 0.0613 0.0093 -0.0169 297 LEU a CD1 ? ? 1 +28467 C CD1 B LEU U 287 0.4445 0.8071 0.8349 0.0603 0.0088 -0.0170 297 LEU a CD1 ? ? 1 +28468 C CD2 A LEU U 287 0.4402 0.8177 0.8346 0.0604 0.0109 -0.0166 297 LEU a CD2 ? ? 1 +28469 C CD2 B LEU U 287 0.4365 0.8134 0.8304 0.0604 0.0108 -0.0167 297 LEU a CD2 ? ? 1 +28470 N N A ASN U 288 0.4094 0.7977 0.8318 0.0475 0.0027 -0.0101 298 ASN a N ? ? 1 +28471 N N B ASN U 288 0.4065 0.7943 0.8284 0.0474 0.0027 -0.0102 298 ASN a N ? ? 1 +28472 C CA A ASN U 288 0.4005 0.7933 0.8296 0.0403 -0.0004 -0.0091 298 ASN a CA ? ? 1 +28473 C CA B ASN U 288 0.3985 0.7904 0.8268 0.0401 -0.0005 -0.0093 298 ASN a CA ? ? 1 +28474 C C A ASN U 288 0.4073 0.7919 0.8298 0.0337 -0.0033 -0.0116 298 ASN a C ? ? 1 +28475 C C B ASN U 288 0.4053 0.7895 0.8273 0.0334 -0.0034 -0.0118 298 ASN a C ? ? 1 +28476 O O A ASN U 288 0.4197 0.7943 0.8317 0.0345 -0.0031 -0.0143 298 ASN a O ? ? 1 +28477 O O B ASN U 288 0.4180 0.7918 0.8293 0.0342 -0.0033 -0.0145 298 ASN a O ? ? 1 +28478 C CB A ASN U 288 0.3988 0.7898 0.8311 0.0405 -0.0007 -0.0075 298 ASN a CB ? ? 1 +28479 C CB B ASN U 288 0.3975 0.7866 0.8283 0.0402 -0.0009 -0.0079 298 ASN a CB ? ? 1 +28480 C CG A ASN U 288 0.3921 0.7917 0.8315 0.0468 0.0015 -0.0053 298 ASN a CG ? ? 1 +28481 C CG B ASN U 288 0.3893 0.7880 0.8282 0.0458 0.0011 -0.0054 298 ASN a CG ? ? 1 +28482 O OD1 A ASN U 288 0.3822 0.7944 0.8298 0.0485 0.0027 -0.0039 298 ASN a OD1 ? ? 1 +28483 O OD1 B ASN U 288 0.3780 0.7899 0.8259 0.0466 0.0019 -0.0039 298 ASN a OD1 ? ? 1 +28484 N ND2 A ASN U 288 0.3986 0.7913 0.8348 0.0507 0.0022 -0.0049 298 ASN a ND2 ? ? 1 +28485 N ND2 B ASN U 288 0.3958 0.7878 0.8315 0.0500 0.0020 -0.0050 298 ASN a ND2 ? ? 1 +28486 N N A GLY U 289 0.3988 0.7884 0.8281 0.0271 -0.0060 -0.0109 299 GLY a N ? ? 1 +28487 N N B GLY U 289 0.3969 0.7868 0.8261 0.0269 -0.0061 -0.0111 299 GLY a N ? ? 1 +28488 C CA A GLY U 289 0.4037 0.7878 0.8291 0.0203 -0.0091 -0.0133 299 GLY a CA ? ? 1 +28489 C CA B GLY U 289 0.4023 0.7868 0.8276 0.0201 -0.0092 -0.0134 299 GLY a CA ? ? 1 +28490 C C A GLY U 289 0.4197 0.7872 0.8339 0.0191 -0.0094 -0.0158 299 GLY a C ? ? 1 +28491 C C B GLY U 289 0.4184 0.7866 0.8331 0.0188 -0.0096 -0.0158 299 GLY a C ? ? 1 +28492 O O A GLY U 289 0.4257 0.7862 0.8364 0.0227 -0.0076 -0.0152 299 GLY a O ? ? 1 +28493 O O B GLY U 289 0.4239 0.7855 0.8354 0.0224 -0.0077 -0.0151 299 GLY a O ? ? 1 +28494 N N A PHE U 290 0.4273 0.7886 0.8358 0.0140 -0.0119 -0.0188 300 PHE a N ? ? 1 +28495 N N B PHE U 290 0.4271 0.7887 0.8360 0.0136 -0.0121 -0.0188 300 PHE a N ? ? 1 +28496 C CA A PHE U 290 0.4424 0.7879 0.8406 0.0116 -0.0125 -0.0215 300 PHE a CA ? ? 1 +28497 C CA B PHE U 290 0.4431 0.7886 0.8413 0.0116 -0.0125 -0.0215 300 PHE a CA ? ? 1 +28498 C C A PHE U 290 0.4414 0.7829 0.8418 0.0096 -0.0120 -0.0201 300 PHE a C ? ? 1 +28499 C C B PHE U 290 0.4421 0.7834 0.8425 0.0094 -0.0120 -0.0201 300 PHE a C ? ? 1 +28500 O O A PHE U 290 0.4294 0.7798 0.8398 0.0056 -0.0131 -0.0183 300 PHE a O ? ? 1 +28501 O O B PHE U 290 0.4302 0.7803 0.8404 0.0053 -0.0132 -0.0184 300 PHE a O ? ? 1 +28502 C CB A PHE U 290 0.4472 0.7899 0.8427 0.0045 -0.0160 -0.0247 300 PHE a CB ? ? 1 +28503 C CB B PHE U 290 0.4493 0.7913 0.8441 0.0048 -0.0159 -0.0248 300 PHE a CB ? ? 1 +28504 C CG A PHE U 290 0.4539 0.7951 0.8426 0.0065 -0.0167 -0.0270 300 PHE a CG ? ? 1 +28505 C CG B PHE U 290 0.4561 0.7972 0.8444 0.0070 -0.0165 -0.0270 300 PHE a CG ? ? 1 +28506 C CD1 A PHE U 290 0.4686 0.7982 0.8453 0.0115 -0.0147 -0.0288 300 PHE a CD1 ? ? 1 +28507 C CD1 B PHE U 290 0.4703 0.8009 0.8473 0.0127 -0.0142 -0.0284 300 PHE a CD1 ? ? 1 +28508 C CD2 A PHE U 290 0.4460 0.7972 0.8398 0.0035 -0.0193 -0.0274 300 PHE a CD2 ? ? 1 +28509 C CD2 B PHE U 290 0.4494 0.7996 0.8424 0.0035 -0.0193 -0.0276 300 PHE a CD2 ? ? 1 +28510 C CE1 A PHE U 290 0.4753 0.8032 0.8451 0.0134 -0.0152 -0.0309 300 PHE a CE1 ? ? 1 +28511 C CE1 B PHE U 290 0.4770 0.8063 0.8473 0.0148 -0.0146 -0.0304 300 PHE a CE1 ? ? 1 +28512 C CE2 A PHE U 290 0.4532 0.8023 0.8397 0.0055 -0.0199 -0.0294 300 PHE a CE2 ? ? 1 +28513 C CE2 B PHE U 290 0.4566 0.8051 0.8425 0.0056 -0.0199 -0.0295 300 PHE a CE2 ? ? 1 +28514 C CZ A PHE U 290 0.4678 0.8053 0.8423 0.0103 -0.0178 -0.0312 300 PHE a CZ ? ? 1 +28515 C CZ B PHE U 290 0.4705 0.8085 0.8450 0.0112 -0.0174 -0.0309 300 PHE a CZ ? ? 1 +28516 N N A ASN U 291 0.4549 0.7821 0.8453 0.0125 -0.0103 -0.0210 301 ASN a N ? ? 1 +28517 N N B ASN U 291 0.4553 0.7825 0.8458 0.0126 -0.0103 -0.0209 301 ASN a N ? ? 1 +28518 C CA A ASN U 291 0.4576 0.7776 0.8473 0.0109 -0.0096 -0.0199 301 ASN a CA ? ? 1 +28519 C CA B ASN U 291 0.4581 0.7781 0.8478 0.0110 -0.0096 -0.0199 301 ASN a CA ? ? 1 +28520 C C A ASN U 291 0.4725 0.7768 0.8522 0.0056 -0.0106 -0.0231 301 ASN a C ? ? 1 +28521 C C B ASN U 291 0.4726 0.7769 0.8523 0.0056 -0.0106 -0.0231 301 ASN a C ? ? 1 +28522 O O A ASN U 291 0.4877 0.7787 0.8556 0.0087 -0.0096 -0.0252 301 ASN a O ? ? 1 +28523 O O B ASN U 291 0.4880 0.7789 0.8559 0.0087 -0.0095 -0.0251 301 ASN a O ? ? 1 +28524 C CB A ASN U 291 0.4614 0.7777 0.8480 0.0192 -0.0068 -0.0179 301 ASN a CB ? ? 1 +28525 C CB B ASN U 291 0.4623 0.7784 0.8486 0.0194 -0.0067 -0.0179 301 ASN a CB ? ? 1 +28526 C CG A ASN U 291 0.4671 0.7742 0.8510 0.0181 -0.0061 -0.0168 301 ASN a CG ? ? 1 +28527 C CG B ASN U 291 0.4667 0.7750 0.8514 0.0186 -0.0060 -0.0165 301 ASN a CG ? ? 1 +28528 O OD1 A ASN U 291 0.4728 0.7724 0.8540 0.0112 -0.0072 -0.0181 301 ASN a OD1 ? ? 1 +28529 O OD1 B ASN U 291 0.4700 0.7728 0.8539 0.0115 -0.0072 -0.0174 301 ASN a OD1 ? ? 1 +28530 N ND2 A ASN U 291 0.4666 0.7739 0.8509 0.0248 -0.0042 -0.0144 301 ASN a ND2 ? ? 1 +28531 N ND2 B ASN U 291 0.4679 0.7751 0.8517 0.0257 -0.0040 -0.0144 301 ASN a ND2 ? ? 1 +28532 N N . PHE U 292 0.4682 0.7743 0.8528 -0.0026 -0.0126 -0.0237 302 PHE a N ? ? 1 +28533 C CA . PHE U 292 0.4810 0.7731 0.8577 -0.0088 -0.0135 -0.0267 302 PHE a CA ? ? 1 +28534 C CB . PHE U 292 0.4763 0.7736 0.8571 -0.0166 -0.0168 -0.0295 302 PHE a CB ? ? 1 +28535 C CG . PHE U 292 0.4748 0.7766 0.8535 -0.0139 -0.0183 -0.0313 302 PHE a CG ? ? 1 +28536 C CD1 . PHE U 292 0.4894 0.7790 0.8555 -0.0102 -0.0176 -0.0338 302 PHE a CD1 ? ? 1 +28537 C CD2 . PHE U 292 0.4597 0.7774 0.8485 -0.0148 -0.0202 -0.0303 302 PHE a CD2 ? ? 1 +28538 C CE1 . PHE U 292 0.4895 0.7827 0.8529 -0.0076 -0.0188 -0.0353 302 PHE a CE1 ? ? 1 +28539 C CE2 . PHE U 292 0.4605 0.7815 0.8465 -0.0122 -0.0214 -0.0318 302 PHE a CE2 ? ? 1 +28540 C CZ . PHE U 292 0.4753 0.7841 0.8485 -0.0086 -0.0206 -0.0343 302 PHE a CZ ? ? 1 +28541 C C . PHE U 292 0.4833 0.7697 0.8609 -0.0117 -0.0121 -0.0250 302 PHE a C ? ? 1 +28542 O O . PHE U 292 0.4895 0.7700 0.8660 -0.0192 -0.0130 -0.0268 302 PHE a O ? ? 1 +28543 N N A ASN U 293 0.4801 0.7678 0.8589 -0.0056 -0.0099 -0.0217 303 ASN a N ? ? 1 +28544 N N B ASN U 293 0.4796 0.7680 0.8590 -0.0058 -0.0100 -0.0216 303 ASN a N ? ? 1 +28545 C CA A ASN U 293 0.4824 0.7640 0.8608 -0.0072 -0.0085 -0.0197 303 ASN a CA ? ? 1 +28546 C CA B ASN U 293 0.4827 0.7645 0.8613 -0.0073 -0.0085 -0.0197 303 ASN a CA ? ? 1 +28547 C C A ASN U 293 0.5030 0.7637 0.8671 -0.0078 -0.0071 -0.0217 303 ASN a C ? ? 1 +28548 C C B ASN U 293 0.5033 0.7642 0.8675 -0.0079 -0.0071 -0.0218 303 ASN a C ? ? 1 +28549 O O A ASN U 293 0.5141 0.7655 0.8688 -0.0009 -0.0057 -0.0221 303 ASN a O ? ? 1 +28550 O O B ASN U 293 0.5148 0.7664 0.8695 -0.0012 -0.0058 -0.0223 303 ASN a O ? ? 1 +28551 C CB A ASN U 293 0.4742 0.7626 0.8570 0.0003 -0.0069 -0.0159 303 ASN a CB ? ? 1 +28552 C CB B ASN U 293 0.4748 0.7632 0.8577 0.0002 -0.0069 -0.0159 303 ASN a CB ? ? 1 +28553 C CG A ASN U 293 0.4544 0.7626 0.8511 0.0008 -0.0080 -0.0139 303 ASN a CG ? ? 1 +28554 C CG B ASN U 293 0.4549 0.7631 0.8521 0.0000 -0.0080 -0.0137 303 ASN a CG ? ? 1 +28555 O OD1 A ASN U 293 0.4453 0.7627 0.8495 -0.0053 -0.0099 -0.0147 303 ASN a OD1 ? ? 1 +28556 O OD1 B ASN U 293 0.4457 0.7625 0.8508 -0.0068 -0.0098 -0.0143 303 ASN a OD1 ? ? 1 +28557 N ND2 A ASN U 293 0.4477 0.7630 0.8482 0.0081 -0.0068 -0.0112 303 ASN a ND2 ? ? 1 +28558 N ND2 B ASN U 293 0.4481 0.7639 0.8491 0.0074 -0.0070 -0.0112 303 ASN a ND2 ? ? 1 +28559 N N . HIS U 294 0.5078 0.7615 0.8708 -0.0161 -0.0073 -0.0230 304 HIS a N ? ? 1 +28560 C CA . HIS U 294 0.5274 0.7609 0.8771 -0.0184 -0.0060 -0.0252 304 HIS a CA ? ? 1 +28561 C CB . HIS U 294 0.5364 0.7574 0.8772 -0.0118 -0.0032 -0.0227 304 HIS a CB ? ? 1 +28562 C CG . HIS U 294 0.5261 0.7522 0.8732 -0.0114 -0.0021 -0.0189 304 HIS a CG ? ? 1 +28563 N ND1 . HIS U 294 0.5364 0.7494 0.8747 -0.0071 0.0002 -0.0169 304 HIS a ND1 ? ? 1 +28564 C CE1 . HIS U 294 0.5253 0.7467 0.8716 -0.0078 0.0005 -0.0138 304 HIS a CE1 ? ? 1 +28565 N NE2 . HIS U 294 0.5077 0.7465 0.8675 -0.0124 -0.0012 -0.0137 304 HIS a NE2 ? ? 1 +28566 C CD2 . HIS U 294 0.5081 0.7499 0.8684 -0.0146 -0.0029 -0.0169 304 HIS a CD2 ? ? 1 +28567 C C . HIS U 294 0.5416 0.7661 0.8819 -0.0181 -0.0070 -0.0291 304 HIS a C ? ? 1 +28568 O O . HIS U 294 0.5601 0.7671 0.8872 -0.0159 -0.0055 -0.0305 304 HIS a O ? ? 1 +28569 N N . SER U 295 0.5355 0.7711 0.8817 -0.0203 -0.0096 -0.0311 305 SER a N ? ? 1 +28570 C CA . SER U 295 0.5485 0.7764 0.8860 -0.0207 -0.0109 -0.0351 305 SER a CA ? ? 1 +28571 C CB . SER U 295 0.5360 0.7796 0.8816 -0.0206 -0.0136 -0.0359 305 SER a CB ? ? 1 +28572 O OG . SER U 295 0.5307 0.7806 0.8764 -0.0115 -0.0125 -0.0340 305 SER a OG ? ? 1 +28573 C C . SER U 295 0.5645 0.7793 0.8956 -0.0294 -0.0118 -0.0389 305 SER a C ? ? 1 +28574 O O . SER U 295 0.5817 0.7822 0.9006 -0.0287 -0.0117 -0.0419 305 SER a O ? ? 1 +28575 N N . VAL U 296 0.5601 0.7799 0.8994 -0.0377 -0.0126 -0.0388 306 VAL a N ? ? 1 +28576 C CA . VAL U 296 0.5750 0.7832 0.9095 -0.0466 -0.0131 -0.0424 306 VAL a CA ? ? 1 +28577 C CB . VAL U 296 0.5629 0.7849 0.9103 -0.0556 -0.0159 -0.0440 306 VAL a CB ? ? 1 +28578 C CG1 . VAL U 296 0.5760 0.7867 0.9192 -0.0653 -0.0165 -0.0482 306 VAL a CG1 ? ? 1 +28579 C CG2 . VAL U 296 0.5518 0.7882 0.9053 -0.0536 -0.0193 -0.0451 306 VAL a CG2 ? ? 1 +28580 C C . VAL U 296 0.5890 0.7826 0.9168 -0.0479 -0.0097 -0.0408 306 VAL a C ? ? 1 +28581 O O . VAL U 296 0.5798 0.7794 0.9143 -0.0477 -0.0081 -0.0373 306 VAL a O ? ? 1 +28582 N N . ILE U 297 0.6135 0.7876 0.9277 -0.0493 -0.0085 -0.0436 307 ILE a N ? ? 1 +28583 C CA . ILE U 297 0.6305 0.7881 0.9364 -0.0511 -0.0053 -0.0425 307 ILE a CA ? ? 1 +28584 C CB . ILE U 297 0.6421 0.7875 0.9362 -0.0406 -0.0026 -0.0400 307 ILE a CB ? ? 1 +28585 C CG1 . ILE U 297 0.6562 0.7911 0.9386 -0.0358 -0.0032 -0.0430 307 ILE a CG1 ? ? 1 +28586 C CG2 . ILE U 297 0.6253 0.7856 0.9281 -0.0325 -0.0022 -0.0355 307 ILE a CG2 ? ? 1 +28587 C CD1 . ILE U 297 0.6660 0.7903 0.9379 -0.0249 -0.0007 -0.0406 307 ILE a CD1 ? ? 1 +28588 C C . ILE U 297 0.6491 0.7925 0.9476 -0.0600 -0.0056 -0.0471 307 ILE a C ? ? 1 +28589 O O . ILE U 297 0.6561 0.7969 0.9504 -0.0609 -0.0079 -0.0510 307 ILE a O ? ? 1 +28590 N N . ASP U 298 0.6593 0.7934 0.9561 -0.0665 -0.0032 -0.0468 308 ASP a N ? ? 1 +28591 C CA . ASP U 298 0.6771 0.7987 0.9687 -0.0764 -0.0031 -0.0511 308 ASP a CA ? ? 1 +28592 C CB . ASP U 298 0.6758 0.7988 0.9745 -0.0852 -0.0010 -0.0500 308 ASP a CB ? ? 1 +28593 C CG . ASP U 298 0.6882 0.7955 0.9777 -0.0836 0.0036 -0.0467 308 ASP a CG ? ? 1 +28594 O OD1 . ASP U 298 0.6983 0.7932 0.9757 -0.0749 0.0051 -0.0450 308 ASP a OD1 ? ? 1 +28595 O OD2 . ASP U 298 0.6876 0.7949 0.9818 -0.0909 0.0057 -0.0459 308 ASP a OD2 ? ? 1 +28596 C C . ASP U 298 0.7033 0.8007 0.9764 -0.0736 -0.0010 -0.0527 308 ASP a C ? ? 1 +28597 O O . ASP U 298 0.7092 0.8005 0.9739 -0.0636 -0.0001 -0.0507 308 ASP a O ? ? 1 +28598 N N . ALA U 299 0.7213 0.8046 0.9881 -0.0825 -0.0004 -0.0564 309 ALA a N ? ? 1 +28599 C CA . ALA U 299 0.7473 0.8068 0.9963 -0.0812 0.0013 -0.0587 309 ALA a CA ? ? 1 +28600 C CB . ALA U 299 0.7610 0.8103 1.0075 -0.0933 0.0013 -0.0634 309 ALA a CB ? ? 1 +28601 C C . ALA U 299 0.7606 0.8041 0.9979 -0.0745 0.0055 -0.0548 309 ALA a C ? ? 1 +28602 O O . ALA U 299 0.7761 0.8035 0.9989 -0.0681 0.0065 -0.0554 309 ALA a O ? ? 1 +28603 N N . LYS U 300 0.7548 0.8021 0.9978 -0.0761 0.0079 -0.0509 310 LYS a N ? ? 1 +28604 C CA . LYS U 300 0.7653 0.7987 0.9981 -0.0698 0.0116 -0.0469 310 LYS a CA ? ? 1 +28605 C CB . LYS U 300 0.7615 0.7967 1.0003 -0.0761 0.0143 -0.0441 310 LYS a CB ? ? 1 +28606 C CG . LYS U 300 0.7747 0.7936 1.0017 -0.0705 0.0182 -0.0401 310 LYS a CG ? ? 1 +28607 C CD . LYS U 300 0.7721 0.7924 1.0044 -0.0773 0.0210 -0.0376 310 LYS a CD ? ? 1 +28608 C CE . LYS U 300 0.7868 0.7899 1.0063 -0.0716 0.0247 -0.0336 310 LYS a CE ? ? 1 +28609 N NZ . LYS U 300 0.7817 0.7885 1.0072 -0.0768 0.0273 -0.0306 310 LYS a NZ ? ? 1 +28610 C C . LYS U 300 0.7549 0.7973 0.9890 -0.0569 0.0109 -0.0431 310 LYS a C ? ? 1 +28611 O O . LYS U 300 0.7670 0.7957 0.9891 -0.0487 0.0129 -0.0411 310 LYS a O ? ? 1 +28612 N N . GLY U 301 0.7329 0.7986 0.9820 -0.0553 0.0081 -0.0423 311 GLY a N ? ? 1 +28613 C CA . GLY U 301 0.7185 0.7962 0.9721 -0.0444 0.0076 -0.0386 311 GLY a CA ? ? 1 +28614 C C . GLY U 301 0.6964 0.7931 0.9652 -0.0452 0.0074 -0.0349 311 GLY a C ? ? 1 +28615 O O . GLY U 301 0.6852 0.7922 0.9584 -0.0366 0.0070 -0.0317 311 GLY a O ? ? 1 +28616 N N . ASN U 302 0.6902 0.7917 0.9671 -0.0555 0.0077 -0.0354 312 ASN a N ? ? 1 +28617 C CA . ASN U 302 0.6681 0.7886 0.9601 -0.0569 0.0073 -0.0324 312 ASN a CA ? ? 1 +28618 C CB . ASN U 302 0.6682 0.7907 0.9671 -0.0689 0.0081 -0.0336 312 ASN a CB ? ? 1 +28619 C CG . ASN U 302 0.6883 0.7905 0.9761 -0.0733 0.0120 -0.0332 312 ASN a CG ? ? 1 +28620 O OD1 . ASN U 302 0.7039 0.7963 0.9881 -0.0824 0.0128 -0.0368 312 ASN a OD1 ? ? 1 +28621 N ND2 . ASN U 302 0.6914 0.7868 0.9734 -0.0673 0.0146 -0.0291 312 ASN a ND2 ? ? 1 +28622 C C . ASN U 302 0.6459 0.7881 0.9506 -0.0541 0.0037 -0.0327 312 ASN a C ? ? 1 +28623 O O . ASN U 302 0.6486 0.7923 0.9527 -0.0556 0.0013 -0.0363 312 ASN a O ? ? 1 +28624 N N . VAL U 303 0.6244 0.7828 0.9400 -0.0504 0.0033 -0.0290 313 VAL a N ? ? 1 +28625 C CA . VAL U 303 0.6023 0.7817 0.9306 -0.0485 0.0002 -0.0291 313 VAL a CA ? ? 1 +28626 C CB . VAL U 303 0.5871 0.7787 0.9219 -0.0398 0.0004 -0.0246 313 VAL a CB ? ? 1 +28627 C CG1 . VAL U 303 0.5655 0.7792 0.9144 -0.0390 -0.0024 -0.0245 313 VAL a CG1 ? ? 1 +28628 C CG2 . VAL U 303 0.5974 0.7785 0.9209 -0.0293 0.0017 -0.0233 313 VAL a CG2 ? ? 1 +28629 C C . VAL U 303 0.5895 0.7809 0.9302 -0.0587 -0.0013 -0.0308 313 VAL a C ? ? 1 +28630 O O . VAL U 303 0.5856 0.7788 0.9313 -0.0636 0.0003 -0.0291 313 VAL a O ? ? 1 +28631 N N . ILE U 304 0.5836 0.7828 0.9287 -0.0616 -0.0045 -0.0343 314 ILE a N ? ? 1 +28632 C CA . ILE U 304 0.5698 0.7831 0.9279 -0.0701 -0.0067 -0.0361 314 ILE a CA ? ? 1 +28633 C CB . ILE U 304 0.5786 0.7875 0.9341 -0.0770 -0.0092 -0.0415 314 ILE a CB ? ? 1 +28634 C CG1 . ILE U 304 0.6007 0.7874 0.9425 -0.0808 -0.0069 -0.0439 314 ILE a CG1 ? ? 1 +28635 C CG2 . ILE U 304 0.5663 0.7902 0.9361 -0.0858 -0.0114 -0.0434 314 ILE a CG2 ? ? 1 +28636 C CD1 . ILE U 304 0.6055 0.7853 0.9475 -0.0866 -0.0034 -0.0423 314 ILE a CD1 ? ? 1 +28637 C C . ILE U 304 0.5480 0.7822 0.9182 -0.0655 -0.0091 -0.0341 314 ILE a C ? ? 1 +28638 O O . ILE U 304 0.5463 0.7850 0.9158 -0.0618 -0.0115 -0.0356 314 ILE a O ? ? 1 +28639 N N . ASN U 305 0.5336 0.7798 0.9145 -0.0661 -0.0084 -0.0308 315 ASN a N ? ? 1 +28640 C CA . ASN U 305 0.5142 0.7795 0.9064 -0.0617 -0.0103 -0.0286 315 ASN a CA ? ? 1 +28641 C CB . ASN U 305 0.5034 0.7788 0.9056 -0.0629 -0.0089 -0.0250 315 ASN a CB ? ? 1 +28642 C CG . ASN U 305 0.5098 0.7776 0.9059 -0.0565 -0.0060 -0.0212 315 ASN a CG ? ? 1 +28643 O OD1 . ASN U 305 0.5167 0.7795 0.9056 -0.0483 -0.0056 -0.0201 315 ASN a OD1 ? ? 1 +28644 N ND2 . ASN U 305 0.5104 0.7772 0.9093 -0.0601 -0.0038 -0.0191 315 ASN a ND2 ? ? 1 +28645 C C . ASN U 305 0.5033 0.7811 0.9035 -0.0656 -0.0141 -0.0316 315 ASN a C ? ? 1 +28646 O O . ASN U 305 0.5068 0.7846 0.9102 -0.0739 -0.0154 -0.0348 315 ASN a O ? ? 1 +28647 N N . THR U 306 0.4895 0.7782 0.8933 -0.0593 -0.0159 -0.0306 316 THR a N ? ? 1 +28648 C CA . THR U 306 0.4768 0.7798 0.8895 -0.0617 -0.0196 -0.0324 316 THR a CA ? ? 1 +28649 C CB . THR U 306 0.4823 0.7823 0.8877 -0.0573 -0.0215 -0.0347 316 THR a CB ? ? 1 +28650 O OG1 . THR U 306 0.4783 0.7809 0.8818 -0.0480 -0.0200 -0.0316 316 THR a OG1 ? ? 1 +28651 C CG2 . THR U 306 0.5018 0.7835 0.8940 -0.0594 -0.0210 -0.0383 316 THR a CG2 ? ? 1 +28652 C C . THR U 306 0.4563 0.7765 0.8813 -0.0589 -0.0197 -0.0287 316 THR a C ? ? 1 +28653 O O . THR U 306 0.4513 0.7716 0.8775 -0.0558 -0.0172 -0.0252 316 THR a O ? ? 1 +28654 N N . TRP U 307 0.4450 0.7794 0.8788 -0.0602 -0.0229 -0.0296 317 TRP a N ? ? 1 +28655 C CA . TRP U 307 0.4265 0.7772 0.8715 -0.0573 -0.0233 -0.0263 317 TRP a CA ? ? 1 +28656 C CB . TRP U 307 0.4168 0.7807 0.8701 -0.0601 -0.0272 -0.0282 317 TRP a CB ? ? 1 +28657 C CG . TRP U 307 0.4129 0.7820 0.8744 -0.0688 -0.0288 -0.0303 317 TRP a CG ? ? 1 +28658 C CD1 . TRP U 307 0.4197 0.7868 0.8807 -0.0750 -0.0316 -0.0348 317 TRP a CD1 ? ? 1 +28659 N NE1 . TRP U 307 0.4136 0.7879 0.8846 -0.0821 -0.0322 -0.0356 317 TRP a NE1 ? ? 1 +28660 C CE2 . TRP U 307 0.4027 0.7835 0.8803 -0.0806 -0.0297 -0.0316 317 TRP a CE2 ? ? 1 +28661 C CZ2 . TRP U 307 0.3937 0.7828 0.8819 -0.0857 -0.0290 -0.0307 317 TRP a CZ2 ? ? 1 +28662 C CH2 . TRP U 307 0.3843 0.7778 0.8765 -0.0824 -0.0264 -0.0264 317 TRP a CH2 ? ? 1 +28663 C CZ3 . TRP U 307 0.3833 0.7740 0.8700 -0.0742 -0.0248 -0.0231 317 TRP a CZ3 ? ? 1 +28664 C CE3 . TRP U 307 0.3918 0.7749 0.8687 -0.0692 -0.0253 -0.0240 317 TRP a CE3 ? ? 1 +28665 C CD2 . TRP U 307 0.4019 0.7796 0.8738 -0.0723 -0.0277 -0.0282 317 TRP a CD2 ? ? 1 +28666 C C . TRP U 307 0.4238 0.7754 0.8657 -0.0480 -0.0217 -0.0232 317 TRP a C ? ? 1 +28667 O O . TRP U 307 0.4117 0.7733 0.8611 -0.0451 -0.0208 -0.0198 317 TRP a O ? ? 1 +28668 N N . ALA U 308 0.4363 0.7775 0.8671 -0.0433 -0.0211 -0.0244 318 ALA a N ? ? 1 +28669 C CA . ALA U 308 0.4353 0.7765 0.8627 -0.0343 -0.0192 -0.0218 318 ALA a CA ? ? 1 +28670 C CB . ALA U 308 0.4483 0.7786 0.8637 -0.0301 -0.0191 -0.0241 318 ALA a CB ? ? 1 +28671 C C . ALA U 308 0.4374 0.7733 0.8633 -0.0314 -0.0162 -0.0187 318 ALA a C ? ? 1 +28672 O O . ALA U 308 0.4309 0.7735 0.8604 -0.0254 -0.0150 -0.0156 318 ALA a O ? ? 1 +28673 N N . ASP U 309 0.4484 0.7720 0.8688 -0.0359 -0.0150 -0.0197 319 ASP a N ? ? 1 +28674 C CA . ASP U 309 0.4508 0.7679 0.8686 -0.0336 -0.0122 -0.0168 319 ASP a CA ? ? 1 +28675 C CB . ASP U 309 0.4675 0.7665 0.8750 -0.0381 -0.0106 -0.0186 319 ASP a CB ? ? 1 +28676 C CG . ASP U 309 0.4838 0.7681 0.8780 -0.0351 -0.0104 -0.0213 319 ASP a CG ? ? 1 +28677 O OD1 . ASP U 309 0.4882 0.7674 0.8759 -0.0270 -0.0090 -0.0198 319 ASP a OD1 ? ? 1 +28678 O OD2 . ASP U 309 0.4929 0.7715 0.8836 -0.0408 -0.0117 -0.0249 319 ASP a OD2 ? ? 1 +28679 C C . ASP U 309 0.4367 0.7668 0.8666 -0.0358 -0.0121 -0.0139 319 ASP a C ? ? 1 +28680 O O . ASP U 309 0.4338 0.7645 0.8642 -0.0311 -0.0105 -0.0108 319 ASP a O ? ? 1 +28681 N N . ILE U 310 0.4289 0.7694 0.8683 -0.0425 -0.0141 -0.0151 320 ILE a N ? ? 1 +28682 C CA . ILE U 310 0.4151 0.7688 0.8663 -0.0443 -0.0142 -0.0126 320 ILE a CA ? ? 1 +28683 C CB . ILE U 310 0.4115 0.7732 0.8714 -0.0528 -0.0161 -0.0147 320 ILE a CB ? ? 1 +28684 C CG1 . ILE U 310 0.4269 0.7759 0.8810 -0.0603 -0.0154 -0.0178 320 ILE a CG1 ? ? 1 +28685 C CG2 . ILE U 310 0.3962 0.7710 0.8678 -0.0542 -0.0159 -0.0120 320 ILE a CG2 ? ? 1 +28686 C CD1 . ILE U 310 0.4362 0.7737 0.8847 -0.0611 -0.0120 -0.0161 320 ILE a CD1 ? ? 1 +28687 C C . ILE U 310 0.4014 0.7687 0.8595 -0.0378 -0.0149 -0.0100 320 ILE a C ? ? 1 +28688 O O . ILE U 310 0.3936 0.7670 0.8570 -0.0354 -0.0138 -0.0069 320 ILE a O ? ? 1 +28689 N N A ILE U 311 0.4004 0.7720 0.8581 -0.0350 -0.0165 -0.0114 321 ILE a N ? ? 1 +28690 N N B ILE U 311 0.3996 0.7717 0.8577 -0.0352 -0.0166 -0.0114 321 ILE a N ? ? 1 +28691 C CA A ILE U 311 0.3904 0.7728 0.8527 -0.0285 -0.0167 -0.0091 321 ILE a CA ? ? 1 +28692 C CA B ILE U 311 0.3894 0.7723 0.8522 -0.0287 -0.0167 -0.0091 321 ILE a CA ? ? 1 +28693 C C A ILE U 311 0.3948 0.7720 0.8524 -0.0212 -0.0142 -0.0066 321 ILE a C ? ? 1 +28694 C C B ILE U 311 0.3935 0.7712 0.8516 -0.0215 -0.0143 -0.0066 321 ILE a C ? ? 1 +28695 O O A ILE U 311 0.3853 0.7722 0.8495 -0.0171 -0.0137 -0.0038 321 ILE a O ? ? 1 +28696 O O B ILE U 311 0.3845 0.7718 0.8494 -0.0177 -0.0138 -0.0038 321 ILE a O ? ? 1 +28697 C CB A ILE U 311 0.3919 0.7763 0.8516 -0.0264 -0.0183 -0.0112 321 ILE a CB ? ? 1 +28698 C CB B ILE U 311 0.3910 0.7758 0.8510 -0.0265 -0.0183 -0.0112 321 ILE a CB ? ? 1 +28699 C CG1 A ILE U 311 0.3858 0.7783 0.8517 -0.0326 -0.0213 -0.0134 321 ILE a CG1 ? ? 1 +28700 C CG1 B ILE U 311 0.3841 0.7776 0.8508 -0.0325 -0.0214 -0.0132 321 ILE a CG1 ? ? 1 +28701 C CG2 A ILE U 311 0.3838 0.7767 0.8462 -0.0188 -0.0175 -0.0089 321 ILE a CG2 ? ? 1 +28702 C CG2 B ILE U 311 0.3835 0.7762 0.8457 -0.0187 -0.0174 -0.0089 321 ILE a CG2 ? ? 1 +28703 C CD1 A ILE U 311 0.3903 0.7820 0.8514 -0.0311 -0.0231 -0.0159 321 ILE a CD1 ? ? 1 +28704 C CD1 B ILE U 311 0.3896 0.7814 0.8509 -0.0314 -0.0232 -0.0159 321 ILE a CD1 ? ? 1 +28705 N N A ASN U 312 0.4108 0.7724 0.8568 -0.0194 -0.0128 -0.0078 322 ASN a N ? ? 1 +28706 N N B ASN U 312 0.4090 0.7712 0.8553 -0.0194 -0.0129 -0.0078 322 ASN a N ? ? 1 +28707 C CA A ASN U 312 0.4162 0.7717 0.8566 -0.0121 -0.0107 -0.0057 322 ASN a CA ? ? 1 +28708 C CA B ASN U 312 0.4135 0.7699 0.8545 -0.0120 -0.0108 -0.0057 322 ASN a CA ? ? 1 +28709 C C A ASN U 312 0.4114 0.7689 0.8561 -0.0122 -0.0096 -0.0028 322 ASN a C ? ? 1 +28710 C C B ASN U 312 0.4096 0.7669 0.8541 -0.0122 -0.0097 -0.0028 322 ASN a C ? ? 1 +28711 O O A ASN U 312 0.4060 0.7684 0.8533 -0.0061 -0.0089 -0.0003 322 ASN a O ? ? 1 +28712 O O B ASN U 312 0.4059 0.7661 0.8516 -0.0058 -0.0088 -0.0004 322 ASN a O ? ? 1 +28713 C CB A ASN U 312 0.4352 0.7725 0.8616 -0.0106 -0.0095 -0.0077 322 ASN a CB ? ? 1 +28714 C CB B ASN U 312 0.4322 0.7707 0.8592 -0.0101 -0.0096 -0.0077 322 ASN a CB ? ? 1 +28715 C CG A ASN U 312 0.4402 0.7728 0.8608 -0.0013 -0.0078 -0.0063 322 ASN a CG ? ? 1 +28716 C CG B ASN U 312 0.4364 0.7707 0.8580 -0.0008 -0.0079 -0.0061 322 ASN a CG ? ? 1 +28717 O OD1 A ASN U 312 0.4321 0.7745 0.8571 0.0044 -0.0078 -0.0053 322 ASN a OD1 ? ? 1 +28718 O OD1 B ASN U 312 0.4274 0.7718 0.8538 0.0048 -0.0079 -0.0050 322 ASN a OD1 ? ? 1 +28719 N ND2 A ASN U 312 0.4537 0.7715 0.8645 0.0005 -0.0062 -0.0060 322 ASN a ND2 ? ? 1 +28720 N ND2 B ASN U 312 0.4499 0.7693 0.8616 0.0010 -0.0063 -0.0059 322 ASN a ND2 ? ? 1 +28721 N N A ARG U 313 0.4133 0.7671 0.8589 -0.0194 -0.0095 -0.0032 323 ARG a N ? ? 1 +28722 N N B ARG U 313 0.4098 0.7647 0.8561 -0.0195 -0.0097 -0.0032 323 ARG a N ? ? 1 +28723 C CA A ARG U 313 0.4090 0.7640 0.8580 -0.0203 -0.0084 -0.0005 323 ARG a CA ? ? 1 +28724 C CA B ARG U 313 0.4054 0.7612 0.8549 -0.0205 -0.0086 -0.0006 323 ARG a CA ? ? 1 +28725 C C A ARG U 313 0.3909 0.7634 0.8524 -0.0185 -0.0094 0.0019 323 ARG a C ? ? 1 +28726 C C B ARG U 313 0.3870 0.7601 0.8488 -0.0185 -0.0095 0.0018 323 ARG a C ? ? 1 +28727 O O A ARG U 313 0.3878 0.7623 0.8509 -0.0145 -0.0086 0.0046 323 ARG a O ? ? 1 +28728 O O B ARG U 313 0.3843 0.7594 0.8473 -0.0137 -0.0087 0.0045 323 ARG a O ? ? 1 +28729 C CB A ARG U 313 0.4126 0.7627 0.8619 -0.0292 -0.0080 -0.0017 323 ARG a CB ? ? 1 +28730 C CB B ARG U 313 0.4089 0.7599 0.8588 -0.0294 -0.0082 -0.0018 323 ARG a CB ? ? 1 +28731 C CG A ARG U 313 0.4313 0.7627 0.8681 -0.0319 -0.0065 -0.0038 323 ARG a CG ? ? 1 +28732 C CG B ARG U 313 0.4275 0.7600 0.8650 -0.0321 -0.0067 -0.0039 323 ARG a CG ? ? 1 +28733 C CD A ARG U 313 0.4432 0.7612 0.8693 -0.0258 -0.0044 -0.0020 323 ARG a CD ? ? 1 +28734 C CD B ARG U 313 0.4395 0.7584 0.8663 -0.0261 -0.0046 -0.0021 323 ARG a CD ? ? 1 +28735 N NE A ARG U 313 0.4381 0.7582 0.8672 -0.0248 -0.0033 0.0012 323 ARG a NE ? ? 1 +28736 N NE B ARG U 313 0.4344 0.7552 0.8641 -0.0253 -0.0034 0.0011 323 ARG a NE ? ? 1 +28737 C CZ A ARG U 313 0.4457 0.7564 0.8670 -0.0190 -0.0018 0.0033 323 ARG a CZ ? ? 1 +28738 C CZ B ARG U 313 0.4412 0.7533 0.8635 -0.0192 -0.0020 0.0032 323 ARG a CZ ? ? 1 +28739 N NH1 A ARG U 313 0.4600 0.7575 0.8697 -0.0140 -0.0011 0.0025 323 ARG a NH1 ? ? 1 +28740 N NH1 B ARG U 313 0.4537 0.7545 0.8655 -0.0133 -0.0015 0.0026 323 ARG a NH1 ? ? 1 +28741 N NH2 A ARG U 313 0.4399 0.7542 0.8647 -0.0181 -0.0011 0.0062 323 ARG a NH2 ? ? 1 +28742 N NH2 B ARG U 313 0.4366 0.7512 0.8619 -0.0189 -0.0012 0.0060 323 ARG a NH2 ? ? 1 +28743 N N A ALA U 314 0.3801 0.7645 0.8498 -0.0215 -0.0112 0.0009 324 ALA a N ? ? 1 +28744 N N B ALA U 314 0.3752 0.7604 0.8457 -0.0220 -0.0113 0.0008 324 ALA a N ? ? 1 +28745 C CA A ALA U 314 0.3626 0.7634 0.8440 -0.0201 -0.0122 0.0029 324 ALA a CA ? ? 1 +28746 C CA B ALA U 314 0.3574 0.7588 0.8393 -0.0203 -0.0123 0.0029 324 ALA a CA ? ? 1 +28747 C C A ALA U 314 0.3587 0.7636 0.8399 -0.0117 -0.0118 0.0044 324 ALA a C ? ? 1 +28748 C C B ALA U 314 0.3528 0.7581 0.8344 -0.0118 -0.0118 0.0044 324 ALA a C ? ? 1 +28749 O O A ALA U 314 0.3487 0.7615 0.8358 -0.0083 -0.0115 0.0069 324 ALA a O ? ? 1 +28750 O O B ALA U 314 0.3426 0.7557 0.8301 -0.0086 -0.0116 0.0069 324 ALA a O ? ? 1 +28751 C CB A ALA U 314 0.3541 0.7651 0.8429 -0.0249 -0.0143 0.0012 324 ALA a CB ? ? 1 +28752 C CB B ALA U 314 0.3488 0.7604 0.8380 -0.0249 -0.0144 0.0013 324 ALA a CB ? ? 1 +28753 N N A ASN U 315 0.3666 0.7664 0.8412 -0.0083 -0.0117 0.0027 325 ASN a N ? ? 1 +28754 N N B ASN U 315 0.3603 0.7602 0.8351 -0.0084 -0.0117 0.0027 325 ASN a N ? ? 1 +28755 C CA A ASN U 315 0.3659 0.7688 0.8399 -0.0003 -0.0109 0.0037 325 ASN a CA ? ? 1 +28756 C CA B ASN U 315 0.3593 0.7623 0.8334 -0.0004 -0.0109 0.0038 325 ASN a CA ? ? 1 +28757 C C A ASN U 315 0.3700 0.7679 0.8409 0.0050 -0.0095 0.0058 325 ASN a C ? ? 1 +28758 C C B ASN U 315 0.3626 0.7608 0.8338 0.0049 -0.0095 0.0059 325 ASN a C ? ? 1 +28759 O O A ASN U 315 0.3625 0.7687 0.8385 0.0104 -0.0092 0.0076 325 ASN a O ? ? 1 +28760 O O B ASN U 315 0.3537 0.7612 0.8310 0.0096 -0.0094 0.0078 325 ASN a O ? ? 1 +28761 C CB A ASN U 315 0.3765 0.7717 0.8419 0.0022 -0.0106 0.0013 325 ASN a CB ? ? 1 +28762 C CB B ASN U 315 0.3699 0.7651 0.8354 0.0020 -0.0106 0.0013 325 ASN a CB ? ? 1 +28763 C CG A ASN U 315 0.3713 0.7735 0.8401 -0.0011 -0.0122 -0.0005 325 ASN a CG ? ? 1 +28764 C CG B ASN U 315 0.3648 0.7665 0.8335 -0.0016 -0.0122 -0.0006 325 ASN a CG ? ? 1 +28765 O OD1 A ASN U 315 0.3590 0.7736 0.8375 -0.0040 -0.0134 0.0004 325 ASN a OD1 ? ? 1 +28766 O OD1 B ASN U 315 0.3531 0.7665 0.8313 -0.0051 -0.0136 0.0002 325 ASN a OD1 ? ? 1 +28767 N ND2 A ASN U 315 0.3819 0.7761 0.8424 -0.0005 -0.0122 -0.0030 325 ASN a ND2 ? ? 1 +28768 N ND2 B ASN U 315 0.3750 0.7692 0.8356 -0.0006 -0.0122 -0.0030 325 ASN a ND2 ? ? 1 +28769 N N A LEU U 316 0.3832 0.7671 0.8455 0.0034 -0.0087 0.0054 326 LEU a N ? ? 1 +28770 N N B LEU U 316 0.3764 0.7600 0.8383 0.0039 -0.0086 0.0054 326 LEU a N ? ? 1 +28771 C CA A LEU U 316 0.3899 0.7669 0.8474 0.0085 -0.0075 0.0073 326 LEU a CA ? ? 1 +28772 C CA B LEU U 316 0.3825 0.7595 0.8400 0.0087 -0.0075 0.0073 326 LEU a CA ? ? 1 +28773 C C A LEU U 316 0.3792 0.7663 0.8457 0.0082 -0.0080 0.0100 326 LEU a C ? ? 1 +28774 C C B LEU U 316 0.3716 0.7586 0.8380 0.0083 -0.0079 0.0100 326 LEU a C ? ? 1 +28775 O O A LEU U 316 0.3783 0.7676 0.8457 0.0144 -0.0078 0.0119 326 LEU a O ? ? 1 +28776 O O B LEU U 316 0.3711 0.7596 0.8380 0.0143 -0.0077 0.0119 326 LEU a O ? ? 1 +28777 C CB A LEU U 316 0.4062 0.7652 0.8521 0.0058 -0.0064 0.0064 326 LEU a CB ? ? 1 +28778 C CB B LEU U 316 0.3989 0.7579 0.8447 0.0060 -0.0064 0.0064 326 LEU a CB ? ? 1 +28779 C CG A LEU U 316 0.4213 0.7668 0.8555 0.0087 -0.0057 0.0041 326 LEU a CG ? ? 1 +28780 C CG B LEU U 316 0.4142 0.7596 0.8483 0.0089 -0.0056 0.0042 326 LEU a CG ? ? 1 +28781 C CD1 A LEU U 316 0.4364 0.7650 0.8603 0.0037 -0.0047 0.0028 326 LEU a CD1 ? ? 1 +28782 C CD1 B LEU U 316 0.4290 0.7578 0.8530 0.0034 -0.0047 0.0027 326 LEU a CD1 ? ? 1 +28783 C CD2 A LEU U 316 0.4262 0.7685 0.8557 0.0184 -0.0049 0.0052 326 LEU a CD2 ? ? 1 +28784 C CD2 B LEU U 316 0.4196 0.7612 0.8486 0.0184 -0.0048 0.0053 326 LEU a CD2 ? ? 1 +28785 N N A GLY U 317 0.3723 0.7655 0.8456 0.0011 -0.0086 0.0101 327 GLY a N ? ? 1 +28786 N N B GLY U 317 0.3641 0.7575 0.8374 0.0012 -0.0087 0.0101 327 GLY a N ? ? 1 +28787 C CA A GLY U 317 0.3615 0.7644 0.8434 0.0002 -0.0090 0.0125 327 GLY a CA ? ? 1 +28788 C CA B GLY U 317 0.3528 0.7558 0.8347 0.0002 -0.0091 0.0124 327 GLY a CA ? ? 1 +28789 C C A GLY U 317 0.3485 0.7665 0.8399 0.0048 -0.0099 0.0138 327 GLY a C ? ? 1 +28790 C C B GLY U 317 0.3395 0.7575 0.8309 0.0048 -0.0099 0.0138 327 GLY a C ? ? 1 +28791 O O A GLY U 317 0.3438 0.7670 0.8392 0.0080 -0.0101 0.0159 327 GLY a O ? ? 1 +28792 O O B GLY U 317 0.3351 0.7582 0.8304 0.0080 -0.0101 0.0159 327 GLY a O ? ? 1 +28793 N N A MET U 318 0.3447 0.7692 0.8392 0.0049 -0.0105 0.0124 328 MET a N ? ? 1 +28794 N N B MET U 318 0.3350 0.7598 0.8297 0.0050 -0.0105 0.0124 328 MET a N ? ? 1 +28795 C CA A MET U 318 0.3343 0.7722 0.8370 0.0090 -0.0109 0.0134 328 MET a CA ? ? 1 +28796 C CA B MET U 318 0.3243 0.7625 0.8272 0.0091 -0.0109 0.0134 328 MET a CA ? ? 1 +28797 C C A MET U 318 0.3388 0.7742 0.8378 0.0174 -0.0100 0.0140 328 MET a C ? ? 1 +28798 C C B MET U 318 0.3287 0.7645 0.8280 0.0175 -0.0100 0.0140 328 MET a C ? ? 1 +28799 O O A MET U 318 0.3313 0.7756 0.8368 0.0213 -0.0101 0.0157 328 MET a O ? ? 1 +28800 O O B MET U 318 0.3207 0.7662 0.8268 0.0214 -0.0101 0.0156 328 MET a O ? ? 1 +28801 C CB A MET U 318 0.3333 0.7757 0.8375 0.0074 -0.0113 0.0116 328 MET a CB ? ? 1 +28802 C CB B MET U 318 0.3224 0.7656 0.8272 0.0073 -0.0113 0.0116 328 MET a CB ? ? 1 +28803 C CG A MET U 318 0.3287 0.7753 0.8375 -0.0001 -0.0126 0.0107 328 MET a CG ? ? 1 +28804 C CG B MET U 318 0.3177 0.7649 0.8270 -0.0003 -0.0127 0.0108 328 MET a CG ? ? 1 +28805 S SD A MET U 318 0.3313 0.7805 0.8391 -0.0012 -0.0134 0.0084 328 MET a SD ? ? 1 +28806 S SD B MET U 318 0.3185 0.7697 0.8279 -0.0013 -0.0135 0.0086 328 MET a SD ? ? 1 +28807 C CE A MET U 318 0.3361 0.7798 0.8420 -0.0098 -0.0149 0.0061 328 MET a CE ? ? 1 +28808 C CE B MET U 318 0.3260 0.7691 0.8313 -0.0093 -0.0148 0.0061 328 MET a CE ? ? 1 +28809 N N A GLU U 319 0.3517 0.7748 0.8403 0.0200 -0.0091 0.0125 329 GLU a N ? ? 1 +28810 N N B GLU U 319 0.3421 0.7649 0.8306 0.0200 -0.0091 0.0126 329 GLU a N ? ? 1 +28811 C CA A GLU U 319 0.3580 0.7771 0.8419 0.0282 -0.0081 0.0127 329 GLU a CA ? ? 1 +28812 C CA B GLU U 319 0.3483 0.7672 0.8321 0.0282 -0.0081 0.0127 329 GLU a CA ? ? 1 +28813 C C A GLU U 319 0.3581 0.7761 0.8423 0.0318 -0.0084 0.0148 329 GLU a C ? ? 1 +28814 C C B GLU U 319 0.3486 0.7663 0.8326 0.0319 -0.0084 0.0148 329 GLU a C ? ? 1 +28815 O O A GLU U 319 0.3528 0.7786 0.8418 0.0378 -0.0085 0.0157 329 GLU a O ? ? 1 +28816 O O B GLU U 319 0.3432 0.7687 0.8320 0.0379 -0.0085 0.0158 329 GLU a O ? ? 1 +28817 C CB A GLU U 319 0.3744 0.7777 0.8456 0.0292 -0.0072 0.0106 329 GLU a CB ? ? 1 +28818 C CB B GLU U 319 0.3648 0.7679 0.8359 0.0291 -0.0072 0.0106 329 GLU a CB ? ? 1 +28819 C CG A GLU U 319 0.3850 0.7808 0.8491 0.0376 -0.0062 0.0107 329 GLU a CG ? ? 1 +28820 C CG B GLU U 319 0.3757 0.7712 0.8395 0.0375 -0.0062 0.0106 329 GLU a CG ? ? 1 +28821 C CD A GLU U 319 0.4019 0.7810 0.8528 0.0383 -0.0052 0.0086 329 GLU a CD ? ? 1 +28822 C CD B GLU U 319 0.3922 0.7714 0.8430 0.0382 -0.0052 0.0084 329 GLU a CD ? ? 1 +28823 O OE1 A GLU U 319 0.4041 0.7825 0.8529 0.0367 -0.0049 0.0066 329 GLU a OE1 ? ? 1 +28824 O OE1 B GLU U 319 0.3941 0.7734 0.8432 0.0371 -0.0049 0.0064 329 GLU a OE1 ? ? 1 +28825 O OE2 A GLU U 319 0.4141 0.7803 0.8560 0.0405 -0.0048 0.0090 329 GLU a OE2 ? ? 1 +28826 O OE2 B GLU U 319 0.4046 0.7704 0.8463 0.0397 -0.0048 0.0087 329 GLU a OE2 ? ? 1 +28827 N N A VAL U 320 0.3641 0.7723 0.8429 0.0282 -0.0084 0.0153 330 VAL a N ? ? 1 +28828 N N B VAL U 320 0.3543 0.7622 0.8329 0.0283 -0.0084 0.0153 330 VAL a N ? ? 1 +28829 C CA A VAL U 320 0.3681 0.7715 0.8438 0.0322 -0.0086 0.0171 330 VAL a CA ? ? 1 +28830 C CA B VAL U 320 0.3576 0.7613 0.8336 0.0321 -0.0087 0.0172 330 VAL a CA ? ? 1 +28831 C C A VAL U 320 0.3543 0.7711 0.8408 0.0320 -0.0098 0.0192 330 VAL a C ? ? 1 +28832 C C B VAL U 320 0.3430 0.7607 0.8302 0.0318 -0.0098 0.0192 330 VAL a C ? ? 1 +28833 O O A VAL U 320 0.3565 0.7725 0.8421 0.0367 -0.0103 0.0206 330 VAL a O ? ? 1 +28834 O O B VAL U 320 0.3449 0.7623 0.8316 0.0365 -0.0104 0.0207 330 VAL a O ? ? 1 +28835 C CB A VAL U 320 0.3807 0.7679 0.8459 0.0285 -0.0079 0.0172 330 VAL a CB ? ? 1 +28836 C CB B VAL U 320 0.3699 0.7576 0.8356 0.0284 -0.0079 0.0173 330 VAL a CB ? ? 1 +28837 C CG1 A VAL U 320 0.3962 0.7683 0.8495 0.0291 -0.0067 0.0151 330 VAL a CG1 ? ? 1 +28838 C CG1 B VAL U 320 0.3856 0.7581 0.8392 0.0291 -0.0068 0.0153 330 VAL a CG1 ? ? 1 +28839 C CG2 A VAL U 320 0.3743 0.7644 0.8441 0.0195 -0.0080 0.0174 330 VAL a CG2 ? ? 1 +28840 C CG2 B VAL U 320 0.3634 0.7543 0.8339 0.0195 -0.0080 0.0175 330 VAL a CG2 ? ? 1 +28841 N N A MET U 321 0.3408 0.7698 0.8371 0.0268 -0.0103 0.0192 331 MET a N ? ? 1 +28842 N N B MET U 321 0.3298 0.7592 0.8265 0.0265 -0.0103 0.0191 331 MET a N ? ? 1 +28843 C CA A MET U 321 0.3275 0.7687 0.8339 0.0260 -0.0114 0.0210 331 MET a CA ? ? 1 +28844 C CA B MET U 321 0.3162 0.7579 0.8231 0.0254 -0.0114 0.0209 331 MET a CA ? ? 1 +28845 C C A MET U 321 0.3167 0.7730 0.8332 0.0297 -0.0119 0.0212 331 MET a C ? ? 1 +28846 C C B MET U 321 0.3048 0.7618 0.8219 0.0290 -0.0119 0.0212 331 MET a C ? ? 1 +28847 O O A MET U 321 0.3086 0.7739 0.8321 0.0316 -0.0128 0.0226 331 MET a O ? ? 1 +28848 O O B MET U 321 0.2964 0.7625 0.8207 0.0304 -0.0128 0.0226 331 MET a O ? ? 1 +28849 C CB A MET U 321 0.3198 0.7643 0.8308 0.0176 -0.0116 0.0210 331 MET a CB ? ? 1 +28850 C CB B MET U 321 0.3089 0.7534 0.8199 0.0170 -0.0116 0.0209 331 MET a CB ? ? 1 +28851 C CG A MET U 321 0.3283 0.7605 0.8318 0.0135 -0.0109 0.0214 331 MET a CG ? ? 1 +28852 C CG B MET U 321 0.3168 0.7496 0.8208 0.0133 -0.0109 0.0214 331 MET a CG ? ? 1 +28853 S SD A MET U 321 0.3329 0.7598 0.8323 0.0182 -0.0111 0.0237 331 MET a SD ? ? 1 +28854 S SD B MET U 321 0.3192 0.7488 0.8206 0.0180 -0.0113 0.0238 331 MET a SD ? ? 1 +28855 C CE A MET U 321 0.3144 0.7592 0.8275 0.0180 -0.0126 0.0253 331 MET a CE ? ? 1 +28856 C CE B MET U 321 0.3006 0.7487 0.8161 0.0177 -0.0128 0.0252 331 MET a CE ? ? 1 +28857 N N A HIS U 322 0.3180 0.7769 0.8349 0.0306 -0.0112 0.0197 332 HIS a N ? ? 1 +28858 N N B HIS U 322 0.3063 0.7657 0.8237 0.0302 -0.0112 0.0197 332 HIS a N ? ? 1 +28859 C CA A HIS U 322 0.3094 0.7822 0.8357 0.0333 -0.0111 0.0199 332 HIS a CA ? ? 1 +28860 C CA B HIS U 322 0.2977 0.7710 0.8244 0.0331 -0.0111 0.0199 332 HIS a CA ? ? 1 +28861 C C A HIS U 322 0.3109 0.7867 0.8387 0.0411 -0.0113 0.0206 332 HIS a C ? ? 1 +28862 C C B HIS U 322 0.2994 0.7755 0.8275 0.0409 -0.0113 0.0206 332 HIS a C ? ? 1 +28863 O O A HIS U 322 0.3222 0.7879 0.8417 0.0457 -0.0110 0.0203 332 HIS a O ? ? 1 +28864 O O B HIS U 322 0.3107 0.7765 0.8304 0.0454 -0.0110 0.0203 332 HIS a O ? ? 1 +28865 C CB A HIS U 322 0.3126 0.7862 0.8377 0.0331 -0.0100 0.0181 332 HIS a CB ? ? 1 +28866 C CB B HIS U 322 0.3009 0.7750 0.8264 0.0329 -0.0100 0.0182 332 HIS a CB ? ? 1 +28867 C CG A HIS U 322 0.3250 0.7928 0.8436 0.0396 -0.0087 0.0169 332 HIS a CG ? ? 1 +28868 C CG B HIS U 322 0.3132 0.7818 0.8324 0.0395 -0.0087 0.0170 332 HIS a CG ? ? 1 +28869 N ND1 A HIS U 322 0.3409 0.7937 0.8480 0.0411 -0.0083 0.0159 332 HIS a ND1 ? ? 1 +28870 N ND1 B HIS U 322 0.3292 0.7829 0.8370 0.0413 -0.0083 0.0160 332 HIS a ND1 ? ? 1 +28871 C CD2 A HIS U 322 0.3241 0.7993 0.8465 0.0446 -0.0076 0.0165 332 HIS a CD2 ? ? 1 +28872 C CD2 B HIS U 322 0.3124 0.7884 0.8354 0.0443 -0.0075 0.0165 332 HIS a CD2 ? ? 1 +28873 C CE1 A HIS U 322 0.3475 0.7988 0.8514 0.0473 -0.0070 0.0149 332 HIS a CE1 ? ? 1 +28874 C CE1 B HIS U 322 0.3356 0.7881 0.8404 0.0474 -0.0070 0.0150 332 HIS a CE1 ? ? 1 +28875 N NE2 A HIS U 322 0.3397 0.8046 0.8529 0.0496 -0.0065 0.0152 332 HIS a NE2 ? ? 1 +28876 N NE2 B HIS U 322 0.3278 0.7938 0.8418 0.0495 -0.0064 0.0152 332 HIS a NE2 ? ? 1 +28877 N N A GLU U 323 0.2995 0.7895 0.8382 0.0424 -0.0118 0.0215 333 GLU a N ? ? 1 +28878 N N B GLU U 323 0.2883 0.7784 0.8270 0.0422 -0.0118 0.0215 333 GLU a N ? ? 1 +28879 C CA A GLU U 323 0.2997 0.7953 0.8420 0.0495 -0.0121 0.0218 333 GLU a CA ? ? 1 +28880 C CA B GLU U 323 0.2888 0.7844 0.8311 0.0494 -0.0120 0.0218 333 GLU a CA ? ? 1 +28881 C C A GLU U 323 0.3063 0.7908 0.8404 0.0532 -0.0131 0.0223 333 GLU a C ? ? 1 +28882 C C B GLU U 323 0.2953 0.7801 0.8295 0.0533 -0.0130 0.0223 333 GLU a C ? ? 1 +28883 O O A GLU U 323 0.3145 0.7935 0.8432 0.0597 -0.0127 0.0216 333 GLU a O ? ? 1 +28884 O O B GLU U 323 0.3026 0.7824 0.8318 0.0598 -0.0127 0.0216 333 GLU a O ? ? 1 +28885 C CB A GLU U 323 0.3069 0.8053 0.8494 0.0542 -0.0103 0.0204 333 GLU a CB ? ? 1 +28886 C CB B GLU U 323 0.2965 0.7946 0.8387 0.0538 -0.0102 0.0203 333 GLU a CB ? ? 1 +28887 C CG A GLU U 323 0.3015 0.8107 0.8517 0.0509 -0.0091 0.0200 333 GLU a CG ? ? 1 +28888 C CG B GLU U 323 0.2915 0.8002 0.8413 0.0504 -0.0090 0.0199 333 GLU a CG ? ? 1 +28889 C CD A GLU U 323 0.3123 0.8210 0.8599 0.0546 -0.0069 0.0184 333 GLU a CD ? ? 1 +28890 C CD B GLU U 323 0.3027 0.8116 0.8504 0.0542 -0.0068 0.0184 333 GLU a CD ? ? 1 +28891 O OE1 A GLU U 323 0.3284 0.8289 0.8689 0.0600 -0.0064 0.0176 333 GLU a OE1 ? ? 1 +28892 O OE1 B GLU U 323 0.3199 0.8201 0.8600 0.0593 -0.0062 0.0175 333 GLU a OE1 ? ? 1 +28893 O OE2 A GLU U 323 0.3167 0.8324 0.8686 0.0524 -0.0056 0.0181 333 GLU a OE2 ? ? 1 +28894 O OE2 B GLU U 323 0.3082 0.8254 0.8613 0.0523 -0.0055 0.0181 333 GLU a OE2 ? ? 1 +28895 N N A ARG U 324 0.3013 0.7827 0.8344 0.0493 -0.0142 0.0236 334 ARG a N ? ? 1 +28896 N N B ARG U 324 0.2909 0.7722 0.8239 0.0493 -0.0142 0.0236 334 ARG a N ? ? 1 +28897 C CA A ARG U 324 0.3097 0.7778 0.8328 0.0509 -0.0148 0.0243 334 ARG a CA ? ? 1 +28898 C CA B ARG U 324 0.2995 0.7676 0.8226 0.0510 -0.0148 0.0242 334 ARG a CA ? ? 1 +28899 C C A ARG U 324 0.3125 0.7798 0.8340 0.0592 -0.0161 0.0247 334 ARG a C ? ? 1 +28900 C C B ARG U 324 0.3028 0.7700 0.8242 0.0592 -0.0160 0.0247 334 ARG a C ? ? 1 +28901 O O A ARG U 324 0.3251 0.7794 0.8363 0.0621 -0.0163 0.0250 334 ARG a O ? ? 1 +28902 O O B ARG U 324 0.3153 0.7694 0.8264 0.0619 -0.0163 0.0250 334 ARG a O ? ? 1 +28903 C CB A ARG U 324 0.3041 0.7718 0.8286 0.0449 -0.0156 0.0257 334 ARG a CB ? ? 1 +28904 C CB B ARG U 324 0.2939 0.7616 0.8184 0.0449 -0.0155 0.0257 334 ARG a CB ? ? 1 +28905 C CG A ARG U 324 0.2921 0.7727 0.8267 0.0458 -0.0172 0.0270 334 ARG a CG ? ? 1 +28906 C CG B ARG U 324 0.2820 0.7624 0.8164 0.0460 -0.0172 0.0269 334 ARG a CG ? ? 1 +28907 C CD A ARG U 324 0.2840 0.7677 0.8225 0.0387 -0.0175 0.0280 334 ARG a CD ? ? 1 +28908 C CD B ARG U 324 0.2744 0.7572 0.8122 0.0390 -0.0175 0.0280 334 ARG a CD ? ? 1 +28909 N NE A ARG U 324 0.2717 0.7684 0.8204 0.0395 -0.0190 0.0289 334 ARG a NE ? ? 1 +28910 N NE B ARG U 324 0.2622 0.7581 0.8102 0.0397 -0.0190 0.0290 334 ARG a NE ? ? 1 +28911 C CZ A ARG U 324 0.2604 0.7707 0.8194 0.0397 -0.0191 0.0286 334 ARG a CZ ? ? 1 +28912 C CZ B ARG U 324 0.2503 0.7599 0.8089 0.0396 -0.0192 0.0286 334 ARG a CZ ? ? 1 +28913 N NH1 A ARG U 324 0.2568 0.7703 0.8183 0.0373 -0.0177 0.0275 334 ARG a NH1 ? ? 1 +28914 N NH1 B ARG U 324 0.2466 0.7595 0.8077 0.0371 -0.0178 0.0276 334 ARG a NH1 ? ? 1 +28915 N NH2 A ARG U 324 0.2533 0.7739 0.8202 0.0422 -0.0206 0.0292 334 ARG a NH2 ? ? 1 +28916 N NH2 B ARG U 324 0.2432 0.7631 0.8097 0.0419 -0.0207 0.0293 334 ARG a NH2 ? ? 1 +28917 N N A ASN U 325 0.3008 0.7822 0.8326 0.0630 -0.0169 0.0247 335 ASN a N ? ? 1 +28918 N N B ASN U 325 0.2916 0.7727 0.8232 0.0630 -0.0169 0.0247 335 ASN a N ? ? 1 +28919 C CA A ASN U 325 0.3029 0.7857 0.8348 0.0709 -0.0185 0.0249 335 ASN a CA ? ? 1 +28920 C CA B ASN U 325 0.2941 0.7767 0.8258 0.0711 -0.0184 0.0248 335 ASN a CA ? ? 1 +28921 C C A ASN U 325 0.3034 0.7907 0.8376 0.0775 -0.0176 0.0233 335 ASN a C ? ? 1 +28922 C C B ASN U 325 0.2949 0.7820 0.8289 0.0777 -0.0175 0.0232 335 ASN a C ? ? 1 +28923 O O A ASN U 325 0.3058 0.7974 0.8426 0.0844 -0.0190 0.0231 335 ASN a O ? ? 1 +28924 O O B ASN U 325 0.2984 0.7887 0.8341 0.0847 -0.0189 0.0230 335 ASN a O ? ? 1 +28925 C CB A ASN U 325 0.2911 0.7867 0.8334 0.0707 -0.0206 0.0259 335 ASN a CB ? ? 1 +28926 C CB B ASN U 325 0.2819 0.7775 0.8242 0.0707 -0.0205 0.0258 335 ASN a CB ? ? 1 +28927 C CG A ASN U 325 0.2893 0.7806 0.8293 0.0654 -0.0216 0.0275 335 ASN a CG ? ? 1 +28928 C CG B ASN U 325 0.2805 0.7715 0.8202 0.0656 -0.0215 0.0274 335 ASN a CG ? ? 1 +28929 O OD1 A ASN U 325 0.3006 0.7786 0.8301 0.0662 -0.0219 0.0282 335 ASN a OD1 ? ? 1 +28930 O OD1 B ASN U 325 0.2917 0.7698 0.8211 0.0669 -0.0220 0.0281 335 ASN a OD1 ? ? 1 +28931 N ND2 A ASN U 325 0.2760 0.7782 0.8255 0.0602 -0.0218 0.0280 335 ASN a ND2 ? ? 1 +28932 N ND2 B ASN U 325 0.2676 0.7686 0.8161 0.0599 -0.0216 0.0280 335 ASN a ND2 ? ? 1 +28933 N N A ALA U 326 0.3025 0.7886 0.8354 0.0755 -0.0153 0.0221 336 ALA a N ? ? 1 +28934 N N B ALA U 326 0.2933 0.7803 0.8268 0.0756 -0.0153 0.0220 336 ALA a N ? ? 1 +28935 C CA A ALA U 326 0.3007 0.7935 0.8376 0.0805 -0.0139 0.0206 336 ALA a CA ? ? 1 +28936 C CA B ALA U 326 0.2920 0.7856 0.8294 0.0808 -0.0138 0.0205 336 ALA a CA ? ? 1 +28937 C C A ALA U 326 0.3149 0.7952 0.8408 0.0860 -0.0127 0.0193 336 ALA a C ? ? 1 +28938 C C B ALA U 326 0.3065 0.7874 0.8328 0.0862 -0.0126 0.0192 336 ALA a C ? ? 1 +28939 O O A ALA U 326 0.3166 0.8018 0.8452 0.0911 -0.0114 0.0179 336 ALA a O ? ? 1 +28940 O O B ALA U 326 0.3087 0.7943 0.8375 0.0913 -0.0113 0.0179 336 ALA a O ? ? 1 +28941 C CB A ALA U 326 0.2910 0.7921 0.8343 0.0751 -0.0119 0.0201 336 ALA a CB ? ? 1 +28942 C CB B ALA U 326 0.2824 0.7845 0.8263 0.0755 -0.0119 0.0200 336 ALA a CB ? ? 1 +28943 N N A HIS U 327 0.3255 0.7895 0.8390 0.0849 -0.0130 0.0196 337 HIS a N ? ? 1 +28944 N N B HIS U 327 0.3174 0.7820 0.8314 0.0850 -0.0129 0.0196 337 HIS a N ? ? 1 +28945 C CA A HIS U 327 0.3396 0.7900 0.8415 0.0896 -0.0118 0.0184 337 HIS a CA ? ? 1 +28946 C CA B HIS U 327 0.3317 0.7821 0.8337 0.0893 -0.0117 0.0183 337 HIS a CA ? ? 1 +28947 C C A HIS U 327 0.3515 0.7906 0.8445 0.0953 -0.0135 0.0191 337 HIS a C ? ? 1 +28948 C C B HIS U 327 0.3432 0.7827 0.8365 0.0952 -0.0134 0.0191 337 HIS a C ? ? 1 +28949 O O A HIS U 327 0.3525 0.7851 0.8414 0.0922 -0.0148 0.0206 337 HIS a O ? ? 1 +28950 O O B HIS U 327 0.3441 0.7772 0.8334 0.0921 -0.0148 0.0205 337 HIS a O ? ? 1 +28951 C CB A HIS U 327 0.3452 0.7839 0.8385 0.0833 -0.0102 0.0177 337 HIS a CB ? ? 1 +28952 C CB B HIS U 327 0.3374 0.7760 0.8307 0.0826 -0.0103 0.0178 337 HIS a CB ? ? 1 +28953 C CG A HIS U 327 0.3329 0.7812 0.8337 0.0766 -0.0091 0.0173 337 HIS a CG ? ? 1 +28954 C CG B HIS U 327 0.3250 0.7733 0.8260 0.0758 -0.0092 0.0175 337 HIS a CG ? ? 1 +28955 N ND1 A HIS U 327 0.3218 0.7762 0.8288 0.0695 -0.0100 0.0185 337 HIS a ND1 ? ? 1 +28956 N ND1 B HIS U 327 0.3148 0.7687 0.8216 0.0687 -0.0101 0.0187 337 HIS a ND1 ? ? 1 +28957 C CD2 A HIS U 327 0.3314 0.7829 0.8334 0.0762 -0.0072 0.0158 337 HIS a CD2 ? ? 1 +28958 C CD2 B HIS U 327 0.3222 0.7756 0.8259 0.0758 -0.0074 0.0160 337 HIS a CD2 ? ? 1 +28959 C CE1 A HIS U 327 0.3141 0.7756 0.8262 0.0653 -0.0088 0.0178 337 HIS a CE1 ? ? 1 +28960 C CE1 B HIS U 327 0.3066 0.7683 0.8190 0.0646 -0.0090 0.0180 337 HIS a CE1 ? ? 1 +28961 N NE2 A HIS U 327 0.3196 0.7795 0.8287 0.0691 -0.0071 0.0162 337 HIS a NE2 ? ? 1 +28962 N NE2 B HIS U 327 0.3107 0.7722 0.8212 0.0687 -0.0073 0.0164 337 HIS a NE2 ? ? 1 +28963 N N A ASN U 328 0.3609 0.7974 0.8506 0.1039 -0.0133 0.0180 338 ASN a N ? ? 1 +28964 N N B ASN U 328 0.3521 0.7897 0.8426 0.1038 -0.0133 0.0180 338 ASN a N ? ? 1 +28965 C CA A ASN U 328 0.3743 0.7999 0.8549 0.1108 -0.0151 0.0185 338 ASN a CA ? ? 1 +28966 C CA B ASN U 328 0.3654 0.7922 0.8470 0.1106 -0.0151 0.0185 338 ASN a CA ? ? 1 +28967 C C A ASN U 328 0.3931 0.8002 0.8588 0.1133 -0.0135 0.0175 338 ASN a C ? ? 1 +28968 C C B ASN U 328 0.3839 0.7919 0.8504 0.1129 -0.0135 0.0175 338 ASN a C ? ? 1 +28969 O O A ASN U 328 0.4066 0.8002 0.8616 0.1175 -0.0146 0.0181 338 ASN a O ? ? 1 +28970 O O B ASN U 328 0.3972 0.7914 0.8527 0.1164 -0.0146 0.0182 338 ASN a O ? ? 1 +28971 C CB A ASN U 328 0.3712 0.8087 0.8600 0.1197 -0.0166 0.0179 338 ASN a CB ? ? 1 +28972 C CB B ASN U 328 0.3622 0.8009 0.8520 0.1195 -0.0165 0.0178 338 ASN a CB ? ? 1 +28973 C CG A ASN U 328 0.3553 0.8095 0.8578 0.1177 -0.0185 0.0188 338 ASN a CG ? ? 1 +28974 C CG B ASN U 328 0.3455 0.8019 0.8497 0.1174 -0.0182 0.0186 338 ASN a CG ? ? 1 +28975 O OD1 A ASN U 328 0.3484 0.8031 0.8523 0.1111 -0.0193 0.0203 338 ASN a OD1 ? ? 1 +28976 O OD1 B ASN U 328 0.3359 0.7957 0.8439 0.1097 -0.0184 0.0198 338 ASN a OD1 ? ? 1 +28977 N ND2 A ASN U 328 0.3495 0.8178 0.8624 0.1236 -0.0193 0.0178 338 ASN a ND2 ? ? 1 +28978 N ND2 B ASN U 328 0.3421 0.8102 0.8548 0.1242 -0.0196 0.0179 338 ASN a ND2 ? ? 1 +28979 N N A PHE U 329 0.3951 0.8012 0.8598 0.1109 -0.0110 0.0159 339 PHE a N ? ? 1 +28980 N N B PHE U 329 0.3859 0.7929 0.8513 0.1108 -0.0110 0.0159 339 PHE a N ? ? 1 +28981 C CA A PHE U 329 0.4131 0.8027 0.8643 0.1136 -0.0094 0.0146 339 PHE a CA ? ? 1 +28982 C CA B PHE U 329 0.4039 0.7943 0.8557 0.1133 -0.0094 0.0146 339 PHE a CA ? ? 1 +28983 C C A PHE U 329 0.4163 0.7977 0.8621 0.1044 -0.0078 0.0141 339 PHE a C ? ? 1 +28984 C C B PHE U 329 0.4067 0.7890 0.8532 0.1041 -0.0078 0.0142 339 PHE a C ? ? 1 +28985 O O A PHE U 329 0.4032 0.7948 0.8576 0.0973 -0.0076 0.0144 339 PHE a O ? ? 1 +28986 O O B PHE U 329 0.3935 0.7862 0.8487 0.0971 -0.0076 0.0145 339 PHE a O ? ? 1 +28987 C CB A PHE U 329 0.4148 0.8106 0.8690 0.1212 -0.0080 0.0126 339 PHE a CB ? ? 1 +28988 C CB B PHE U 329 0.4057 0.8022 0.8606 0.1208 -0.0080 0.0126 339 PHE a CB ? ? 1 +28989 C CG A PHE U 329 0.4111 0.8179 0.8732 0.1296 -0.0098 0.0128 339 PHE a CG ? ? 1 +28990 C CG B PHE U 329 0.4019 0.8095 0.8647 0.1292 -0.0098 0.0129 339 PHE a CG ? ? 1 +28991 C CD1 A PHE U 329 0.4216 0.8196 0.8767 0.1357 -0.0121 0.0137 339 PHE a CD1 ? ? 1 +28992 C CD1 B PHE U 329 0.4122 0.8111 0.8681 0.1352 -0.0121 0.0138 339 PHE a CD1 ? ? 1 +28993 C CD2 A PHE U 329 0.3975 0.8235 0.8741 0.1313 -0.0093 0.0121 339 PHE a CD2 ? ? 1 +28994 C CD2 B PHE U 329 0.3883 0.8151 0.8656 0.1309 -0.0093 0.0122 339 PHE a CD2 ? ? 1 +28995 C CE1 A PHE U 329 0.4187 0.8274 0.8814 0.1435 -0.0142 0.0136 339 PHE a CE1 ? ? 1 +28996 C CE1 B PHE U 329 0.4091 0.8188 0.8727 0.1429 -0.0143 0.0138 339 PHE a CE1 ? ? 1 +28997 C CE2 A PHE U 329 0.3945 0.8314 0.8792 0.1387 -0.0111 0.0120 339 PHE a CE2 ? ? 1 +28998 C CE2 B PHE U 329 0.3852 0.8229 0.8706 0.1382 -0.0112 0.0121 339 PHE a CE2 ? ? 1 +28999 C CZ A PHE U 329 0.4048 0.8333 0.8827 0.1449 -0.0138 0.0127 339 PHE a CZ ? ? 1 +29000 C CZ B PHE U 329 0.3953 0.8246 0.8740 0.1442 -0.0138 0.0128 339 PHE a CZ ? ? 1 +29001 N N A PRO U 330 0.4352 0.7977 0.8665 0.1041 -0.0067 0.0134 340 PRO a N ? ? 1 +29002 N N B PRO U 330 0.4252 0.7886 0.8572 0.1036 -0.0068 0.0135 340 PRO a N ? ? 1 +29003 C CA A PRO U 330 0.4393 0.7924 0.8648 0.0947 -0.0058 0.0132 340 PRO a CA ? ? 1 +29004 C CA B PRO U 330 0.4287 0.7829 0.8551 0.0942 -0.0059 0.0132 340 PRO a CA ? ? 1 +29005 C C A PRO U 330 0.4340 0.7934 0.8640 0.0889 -0.0044 0.0116 340 PRO a C ? ? 1 +29006 C C B PRO U 330 0.4227 0.7837 0.8541 0.0884 -0.0045 0.0117 340 PRO a C ? ? 1 +29007 O O A PRO U 330 0.4332 0.7895 0.8622 0.0805 -0.0042 0.0115 340 PRO a O ? ? 1 +29008 O O B PRO U 330 0.4208 0.7800 0.8522 0.0798 -0.0044 0.0118 340 PRO a O ? ? 1 +29009 C CB A PRO U 330 0.4597 0.7909 0.8684 0.0973 -0.0050 0.0125 340 PRO a CB ? ? 1 +29010 C CB B PRO U 330 0.4492 0.7815 0.8588 0.0966 -0.0050 0.0125 340 PRO a CB ? ? 1 +29011 C CG A PRO U 330 0.4673 0.7979 0.8735 0.1083 -0.0049 0.0116 340 PRO a CG ? ? 1 +29012 C CG B PRO U 330 0.4573 0.7884 0.8641 0.1076 -0.0050 0.0118 340 PRO a CG ? ? 1 +29013 C CD A PRO U 330 0.4527 0.8019 0.8726 0.1127 -0.0065 0.0126 340 PRO a CD ? ? 1 +29014 C CD B PRO U 330 0.4428 0.7925 0.8632 0.1122 -0.0066 0.0128 340 PRO a CD ? ? 1 +29015 N N A LEU U 331 0.4331 0.8015 0.8682 0.0935 -0.0033 0.0102 341 LEU a N ? ? 1 +29016 N N B LEU U 331 0.4224 0.7914 0.8580 0.0930 -0.0033 0.0102 341 LEU a N ? ? 1 +29017 C CA A LEU U 331 0.4298 0.8032 0.8678 0.0888 -0.0019 0.0087 341 LEU a CA ? ? 1 +29018 C CA B LEU U 331 0.4191 0.7930 0.8575 0.0883 -0.0019 0.0087 341 LEU a CA ? ? 1 +29019 C C A LEU U 331 0.4151 0.8090 0.8683 0.0882 -0.0019 0.0092 341 LEU a C ? ? 1 +29020 C C B LEU U 331 0.4040 0.7984 0.8576 0.0878 -0.0018 0.0091 341 LEU a C ? ? 1 +29021 O O A LEU U 331 0.4101 0.8140 0.8701 0.0948 -0.0018 0.0094 341 LEU a O ? ? 1 +29022 O O B LEU U 331 0.3996 0.8034 0.8594 0.0946 -0.0015 0.0092 341 LEU a O ? ? 1 +29023 C CB A LEU U 331 0.4427 0.8071 0.8718 0.0941 0.0001 0.0064 341 LEU a CB ? ? 1 +29024 C CB B LEU U 331 0.4323 0.7969 0.8616 0.0936 0.0000 0.0064 341 LEU a CB ? ? 1 +29025 C CG A LEU U 331 0.4626 0.8056 0.8756 0.0957 0.0003 0.0056 341 LEU a CG ? ? 1 +29026 C CG B LEU U 331 0.4521 0.7951 0.8653 0.0944 0.0003 0.0056 341 LEU a CG ? ? 1 +29027 C CD1 A LEU U 331 0.4744 0.8100 0.8795 0.1009 0.0023 0.0032 341 LEU a CD1 ? ? 1 +29028 C CD1 B LEU U 331 0.4649 0.8002 0.8700 0.1009 0.0022 0.0034 341 LEU a CD1 ? ? 1 +29029 C CD2 A LEU U 331 0.4663 0.7990 0.8734 0.0863 -0.0001 0.0056 341 LEU a CD2 ? ? 1 +29030 C CD2 B LEU U 331 0.4549 0.7889 0.8628 0.0846 0.0001 0.0052 341 LEU a CD2 ? ? 1 +29031 N N A ASP U 332 0.4096 0.8098 0.8681 0.0801 -0.0019 0.0093 342 ASP a N ? ? 1 +29032 N N B ASP U 332 0.3975 0.7986 0.8569 0.0797 -0.0021 0.0094 342 ASP a N ? ? 1 +29033 C CA A ASP U 332 0.3975 0.8157 0.8692 0.0787 -0.0016 0.0096 342 ASP a CA ? ? 1 +29034 C CA B ASP U 332 0.3854 0.8043 0.8577 0.0782 -0.0017 0.0097 342 ASP a CA ? ? 1 +29035 C C A ASP U 332 0.4021 0.8211 0.8718 0.0804 0.0007 0.0076 342 ASP a C ? ? 1 +29036 C C B ASP U 332 0.3905 0.8096 0.8604 0.0801 0.0006 0.0077 342 ASP a C ? ? 1 +29037 O O A ASP U 332 0.4020 0.8184 0.8691 0.0748 0.0010 0.0067 342 ASP a O ? ? 1 +29038 O O B ASP U 332 0.3913 0.8071 0.8579 0.0746 0.0010 0.0066 342 ASP a O ? ? 1 +29039 C CB A ASP U 332 0.3876 0.8120 0.8656 0.0697 -0.0029 0.0108 342 ASP a CB ? ? 1 +29040 C CB B ASP U 332 0.3752 0.8005 0.8540 0.0692 -0.0029 0.0108 342 ASP a CB ? ? 1 +29041 C CG A ASP U 332 0.3741 0.8168 0.8660 0.0679 -0.0029 0.0117 342 ASP a CG ? ? 1 +29042 C CG B ASP U 332 0.3617 0.8057 0.8546 0.0675 -0.0029 0.0117 342 ASP a CG ? ? 1 +29043 O OD1 A ASP U 332 0.3752 0.8276 0.8733 0.0736 -0.0018 0.0115 342 ASP a OD1 ? ? 1 +29044 O OD1 B ASP U 332 0.3625 0.8162 0.8620 0.0732 -0.0021 0.0118 342 ASP a OD1 ? ? 1 +29045 O OD2 A ASP U 332 0.3678 0.8153 0.8645 0.0609 -0.0038 0.0124 342 ASP a OD2 ? ? 1 +29046 O OD2 B ASP U 332 0.3557 0.8044 0.8531 0.0605 -0.0037 0.0123 342 ASP a OD2 ? ? 1 +29047 N N A LEU U 333 0.4075 0.8299 0.8783 0.0885 0.0021 0.0069 343 LEU a N ? ? 1 +29048 N N B LEU U 333 0.3956 0.8183 0.8667 0.0882 0.0021 0.0070 343 LEU a N ? ? 1 +29049 C CA A LEU U 333 0.4150 0.8363 0.8822 0.0913 0.0047 0.0049 343 LEU a CA ? ? 1 +29050 C CA B LEU U 333 0.4030 0.8244 0.8704 0.0911 0.0046 0.0050 343 LEU a CA ? ? 1 +29051 C C A LEU U 333 0.4058 0.8431 0.8840 0.0897 0.0062 0.0050 343 LEU a C ? ? 1 +29052 C C B LEU U 333 0.3939 0.8312 0.8722 0.0894 0.0061 0.0050 343 LEU a C ? ? 1 +29053 O O A LEU U 333 0.4113 0.8485 0.8868 0.0912 0.0085 0.0034 343 LEU a O ? ? 1 +29054 O O B LEU U 333 0.3996 0.8369 0.8754 0.0910 0.0084 0.0035 343 LEU a O ? ? 1 +29055 C CB A LEU U 333 0.4247 0.8416 0.8875 0.1010 0.0059 0.0039 343 LEU a CB ? ? 1 +29056 C CB B LEU U 333 0.4125 0.8296 0.8756 0.1008 0.0058 0.0040 343 LEU a CB ? ? 1 +29057 C CG A LEU U 333 0.4403 0.8387 0.8896 0.1035 0.0050 0.0035 343 LEU a CG ? ? 1 +29058 C CG B LEU U 333 0.4280 0.8266 0.8776 0.1033 0.0049 0.0036 343 LEU a CG ? ? 1 +29059 C CD1 A LEU U 333 0.4508 0.8457 0.8962 0.1137 0.0062 0.0024 343 LEU a CD1 ? ? 1 +29060 C CD1 B LEU U 333 0.4379 0.8335 0.8840 0.1137 0.0061 0.0025 343 LEU a CD1 ? ? 1 +29061 C CD2 A LEU U 333 0.4498 0.8340 0.8876 0.0980 0.0055 0.0020 343 LEU a CD2 ? ? 1 +29062 C CD2 B LEU U 333 0.4378 0.8220 0.8757 0.0982 0.0055 0.0020 343 LEU a CD2 ? ? 1 +29063 N N A ALA U 334 0.3948 0.8452 0.8846 0.0867 0.0050 0.0068 344 ALA a N ? ? 1 +29064 N N B ALA U 334 0.3828 0.8333 0.8728 0.0862 0.0048 0.0068 344 ALA a N ? ? 1 +29065 C CA A ALA U 334 0.3846 0.8494 0.8845 0.0840 0.0063 0.0071 344 ALA a CA ? ? 1 +29066 C CA B ALA U 334 0.3725 0.8373 0.8726 0.0835 0.0061 0.0072 344 ALA a CA ? ? 1 +29067 C C A ALA U 334 0.3729 0.8468 0.8822 0.0784 0.0041 0.0091 344 ALA a C ? ? 1 +29068 C C B ALA U 334 0.3611 0.8350 0.8704 0.0778 0.0039 0.0092 344 ALA a C ? ? 1 +29069 O O A ALA U 334 0.3674 0.8497 0.8828 0.0733 0.0043 0.0096 344 ALA a O ? ? 1 +29070 O O B ALA U 334 0.3561 0.8388 0.8718 0.0730 0.0043 0.0097 344 ALA a O ? ? 1 +29071 C CB A ALA U 334 0.3824 0.8579 0.8894 0.0909 0.0087 0.0066 344 ALA a CB ? ? 1 +29072 C CB B ALA U 334 0.3700 0.8455 0.8771 0.0905 0.0085 0.0067 344 ALA a CB ? ? 1 +29073 O OXT A ALA U 334 0.3730 0.8455 0.8833 0.0791 0.0020 0.0102 344 ALA a OXT ? ? 1 +29074 O OXT B ALA U 334 0.3620 0.8339 0.8719 0.0781 0.0018 0.0103 344 ALA a OXT ? ? 1 +29075 N N . GLY V 1 0.3417 0.9099 0.8567 0.0385 -0.0998 0.0379 2 GLY b N ? ? 1 +29076 C CA . GLY V 1 0.3267 0.9069 0.8571 0.0372 -0.1032 0.0354 2 GLY b CA ? ? 1 +29077 C C . GLY V 1 0.3153 0.9043 0.8556 0.0329 -0.1043 0.0317 2 GLY b C ? ? 1 +29078 O O . GLY V 1 0.3247 0.9103 0.8597 0.0312 -0.1027 0.0311 2 GLY b O ? ? 1 +29079 N N . LEU V 2 0.2968 0.8970 0.8514 0.0313 -0.1070 0.0291 3 LEU b N ? ? 1 +29080 C CA . LEU V 2 0.2799 0.8888 0.8453 0.0267 -0.1075 0.0258 3 LEU b CA ? ? 1 +29081 C CB . LEU V 2 0.2667 0.8872 0.8471 0.0256 -0.1103 0.0234 3 LEU b CB ? ? 1 +29082 C CG . LEU V 2 0.2699 0.8954 0.8521 0.0292 -0.1183 0.0201 3 LEU b CG ? ? 1 +29083 C CD1 . LEU V 2 0.2599 0.8968 0.8573 0.0279 -0.1196 0.0182 3 LEU b CD1 ? ? 1 +29084 C CD2 . LEU V 2 0.2720 0.8990 0.8523 0.0283 -0.1225 0.0164 3 LEU b CD2 ? ? 1 +29085 C C . LEU V 2 0.2696 0.8773 0.8376 0.0219 -0.1002 0.0275 3 LEU b C ? ? 1 +29086 O O . LEU V 2 0.2610 0.8683 0.8323 0.0207 -0.0953 0.0303 3 LEU b O ? ? 1 +29087 N N . PRO V 3 0.2675 0.8750 0.8345 0.0192 -0.0995 0.0257 4 PRO b N ? ? 1 +29088 C CA . PRO V 3 0.2584 0.8671 0.8306 0.0145 -0.0934 0.0266 4 PRO b CA ? ? 1 +29089 C CB . PRO V 3 0.2629 0.8687 0.8295 0.0133 -0.0942 0.0244 4 PRO b CB ? ? 1 +29090 C CG . PRO V 3 0.2705 0.8777 0.8342 0.0161 -0.1017 0.0212 4 PRO b CG ? ? 1 +29091 C CD . PRO V 3 0.2760 0.8814 0.8360 0.0206 -0.1045 0.0227 4 PRO b CD ? ? 1 +29092 C C . PRO V 3 0.2434 0.8623 0.8310 0.0110 -0.0929 0.0252 4 PRO b C ? ? 1 +29093 O O . PRO V 3 0.2466 0.8725 0.8413 0.0116 -0.0977 0.0226 4 PRO b O ? ? 1 +29094 N N . TRP V 4 0.2315 0.8513 0.8241 0.0075 -0.0872 0.0267 5 TRP b N ? ? 1 +29095 C CA . TRP V 4 0.2177 0.8458 0.8235 0.0044 -0.0858 0.0261 5 TRP b CA ? ? 1 +29096 C CB . TRP V 4 0.2122 0.8391 0.8206 0.0011 -0.0790 0.0284 5 TRP b CB ? ? 1 +29097 C CG . TRP V 4 0.2130 0.8382 0.8196 -0.0015 -0.0771 0.0272 5 TRP b CG ? ? 1 +29098 C CD1 . TRP V 4 0.2216 0.8394 0.8183 -0.0007 -0.0746 0.0285 5 TRP b CD1 ? ? 1 +29099 N NE1 . TRP V 4 0.2210 0.8393 0.8192 -0.0035 -0.0734 0.0267 5 TRP b NE1 ? ? 1 +29100 C CE2 . TRP V 4 0.2127 0.8385 0.8216 -0.0063 -0.0751 0.0244 5 TRP b CE2 ? ? 1 +29101 C CZ2 . TRP V 4 0.2104 0.8388 0.8240 -0.0097 -0.0746 0.0221 5 TRP b CZ2 ? ? 1 +29102 C CH2 . TRP V 4 0.2034 0.8393 0.8277 -0.0123 -0.0762 0.0201 5 TRP b CH2 ? ? 1 +29103 C CZ3 . TRP V 4 0.1982 0.8395 0.8288 -0.0113 -0.0783 0.0202 5 TRP b CZ3 ? ? 1 +29104 C CE3 . TRP V 4 0.2014 0.8402 0.8274 -0.0076 -0.0789 0.0224 5 TRP b CE3 ? ? 1 +29105 C CD2 . TRP V 4 0.2078 0.8385 0.8225 -0.0052 -0.0773 0.0246 5 TRP b CD2 ? ? 1 +29106 C C . TRP V 4 0.2103 0.8461 0.8246 0.0019 -0.0896 0.0219 5 TRP b C ? ? 1 +29107 O O . TRP V 4 0.2040 0.8474 0.8286 0.0008 -0.0909 0.0206 5 TRP b O ? ? 1 +29108 N N A TYR V 5 0.2134 0.8468 0.8228 0.0011 -0.0912 0.0198 6 TYR b N ? ? 1 +29109 N N B TYR V 5 0.2131 0.8465 0.8226 0.0010 -0.0911 0.0198 6 TYR b N ? ? 1 +29110 C CA A TYR V 5 0.2084 0.8480 0.8251 -0.0020 -0.0941 0.0158 6 TYR b CA ? ? 1 +29111 C CA B TYR V 5 0.2082 0.8479 0.8250 -0.0020 -0.0941 0.0158 6 TYR b CA ? ? 1 +29112 C C A TYR V 5 0.2121 0.8568 0.8312 0.0002 -0.1012 0.0126 6 TYR b C ? ? 1 +29113 C C B TYR V 5 0.2122 0.8566 0.8309 0.0002 -0.1012 0.0126 6 TYR b C ? ? 1 +29114 O O A TYR V 5 0.2088 0.8595 0.8348 -0.0024 -0.1040 0.0089 6 TYR b O ? ? 1 +29115 O O B TYR V 5 0.2089 0.8588 0.8337 -0.0023 -0.1042 0.0088 6 TYR b O ? ? 1 +29116 C CB A TYR V 5 0.2117 0.8462 0.8220 -0.0038 -0.0930 0.0146 6 TYR b CB ? ? 1 +29117 C CB B TYR V 5 0.2115 0.8460 0.8221 -0.0040 -0.0928 0.0146 6 TYR b CB ? ? 1 +29118 C CG A TYR V 5 0.2226 0.8481 0.8188 -0.0003 -0.0939 0.0156 6 TYR b CG ? ? 1 +29119 C CG B TYR V 5 0.2229 0.8486 0.8194 -0.0005 -0.0939 0.0154 6 TYR b CG ? ? 1 +29120 C CD2 A TYR V 5 0.2311 0.8553 0.8215 0.0017 -0.0997 0.0128 6 TYR b CD2 ? ? 1 +29121 C CD2 B TYR V 5 0.2259 0.8440 0.8140 0.0009 -0.0890 0.0191 6 TYR b CD2 ? ? 1 +29122 C CD1 A TYR V 5 0.2247 0.8429 0.8130 0.0010 -0.0888 0.0194 6 TYR b CD1 ? ? 1 +29123 C CD1 B TYR V 5 0.2310 0.8558 0.8224 0.0013 -0.0998 0.0124 6 TYR b CD1 ? ? 1 +29124 C CE2 A TYR V 5 0.2427 0.8580 0.8192 0.0051 -0.1005 0.0137 6 TYR b CE2 ? ? 1 +29125 C CE2 B TYR V 5 0.2374 0.8470 0.8122 0.0040 -0.0895 0.0199 6 TYR b CE2 ? ? 1 +29126 C CE1 A TYR V 5 0.2358 0.8453 0.8107 0.0041 -0.0891 0.0204 6 TYR b CE1 ? ? 1 +29127 C CE1 B TYR V 5 0.2432 0.8593 0.8208 0.0047 -0.1009 0.0132 6 TYR b CE1 ? ? 1 +29128 C CZ A TYR V 5 0.2451 0.8529 0.8137 0.0063 -0.0950 0.0176 6 TYR b CZ ? ? 1 +29129 C CZ B TYR V 5 0.2467 0.8550 0.8158 0.0060 -0.0955 0.0170 6 TYR b CZ ? ? 1 +29130 O OH A TYR V 5 0.2573 0.8559 0.8117 0.0096 -0.0953 0.0186 6 TYR b OH ? ? 1 +29131 O OH B TYR V 5 0.2610 0.8603 0.8159 0.0093 -0.0961 0.0179 6 TYR b OH ? ? 1 +29132 N N . ARG V 6 0.2182 0.8605 0.8319 0.0049 -0.1038 0.0140 7 ARG b N ? ? 1 +29133 C CA . ARG V 6 0.2241 0.8711 0.8395 0.0078 -0.1108 0.0111 7 ARG b CA ? ? 1 +29134 C CB . ARG V 6 0.2392 0.8781 0.8405 0.0121 -0.1145 0.0111 7 ARG b CB ? ? 1 +29135 C CG . ARG V 6 0.2449 0.8798 0.8401 0.0103 -0.1150 0.0092 7 ARG b CG ? ? 1 +29136 C CD . ARG V 6 0.2599 0.8877 0.8416 0.0149 -0.1195 0.0088 7 ARG b CD ? ? 1 +29137 N NE . ARG V 6 0.2683 0.8907 0.8425 0.0134 -0.1194 0.0073 7 ARG b NE ? ? 1 +29138 C CZ . ARG V 6 0.2820 0.8951 0.8416 0.0168 -0.1207 0.0080 7 ARG b CZ ? ? 1 +29139 N NH1 . ARG V 6 0.2912 0.9000 0.8424 0.0220 -0.1239 0.0093 7 ARG b NH1 ? ? 1 +29140 N NH2 . ARG V 6 0.2881 0.8956 0.8409 0.0150 -0.1187 0.0073 7 ARG b NH2 ? ? 1 +29141 C C . ARG V 6 0.2189 0.8707 0.8403 0.0104 -0.1122 0.0120 7 ARG b C ? ? 1 +29142 O O . ARG V 6 0.2227 0.8781 0.8450 0.0136 -0.1182 0.0098 7 ARG b O ? ? 1 +29143 N N . VAL V 7 0.2085 0.8605 0.8341 0.0092 -0.1069 0.0151 8 VAL b N ? ? 1 +29144 C CA . VAL V 7 0.2039 0.8591 0.8340 0.0120 -0.1077 0.0162 8 VAL b CA ? ? 1 +29145 C CB . VAL V 7 0.1931 0.8478 0.8275 0.0098 -0.1013 0.0195 8 VAL b CB ? ? 1 +29146 C CG1 . VAL V 7 0.1996 0.8438 0.8226 0.0113 -0.0972 0.0236 8 VAL b CG1 ? ? 1 +29147 C CG2 . VAL V 7 0.1825 0.8424 0.8263 0.0043 -0.0978 0.0183 8 VAL b CG2 ? ? 1 +29148 C C . VAL V 7 0.1991 0.8652 0.8406 0.0121 -0.1127 0.0124 8 VAL b C ? ? 1 +29149 O O . VAL V 7 0.2011 0.8691 0.8433 0.0163 -0.1161 0.0124 8 VAL b O ? ? 1 +29150 N N . HIS V 8 0.1917 0.8648 0.8423 0.0076 -0.1130 0.0091 9 HIS b N ? ? 1 +29151 C CA . HIS V 8 0.1871 0.8714 0.8500 0.0069 -0.1168 0.0054 9 HIS b CA ? ? 1 +29152 C CB . HIS V 8 0.1762 0.8664 0.8493 0.0007 -0.1137 0.0034 9 HIS b CB ? ? 1 +29153 C CG . HIS V 8 0.1644 0.8544 0.8420 -0.0018 -0.1072 0.0063 9 HIS b CG ? ? 1 +29154 N ND1 . HIS V 8 0.1565 0.8485 0.8398 -0.0072 -0.1032 0.0057 9 HIS b ND1 ? ? 1 +29155 C CE1 . HIS V 8 0.1485 0.8399 0.8345 -0.0079 -0.0984 0.0086 9 HIS b CE1 ? ? 1 +29156 N NE2 . HIS V 8 0.1505 0.8394 0.8328 -0.0035 -0.0990 0.0109 9 HIS b NE2 ? ? 1 +29157 C CD2 . HIS V 8 0.1604 0.8481 0.8370 0.0004 -0.1045 0.0097 9 HIS b CD2 ? ? 1 +29158 C C . HIS V 8 0.1971 0.8847 0.8588 0.0098 -0.1244 0.0017 9 HIS b C ? ? 1 +29159 O O . HIS V 8 0.1947 0.8922 0.8668 0.0099 -0.1280 -0.0016 9 HIS b O ? ? 1 +29160 N N . THR V 9 0.2088 0.8883 0.8579 0.0123 -0.1267 0.0021 10 THR b N ? ? 1 +29161 C CA . THR V 9 0.2190 0.9003 0.8649 0.0156 -0.1343 -0.0013 10 THR b CA ? ? 1 +29162 C CB . THR V 9 0.2295 0.9001 0.8601 0.0172 -0.1354 -0.0006 10 THR b CB ? ? 1 +29163 O OG1 . THR V 9 0.2334 0.8939 0.8525 0.0208 -0.1323 0.0041 10 THR b OG1 ? ? 1 +29164 C CG2 . THR V 9 0.2272 0.8954 0.8573 0.0118 -0.1317 -0.0013 10 THR b CG2 ? ? 1 +29165 C C . THR V 9 0.2246 0.9083 0.8706 0.0217 -0.1391 -0.0013 10 THR b C ? ? 1 +29166 O O . THR V 9 0.2291 0.9161 0.8744 0.0247 -0.1460 -0.0045 10 THR b O ? ? 1 +29167 N N . VAL V 10 0.2238 0.9055 0.8700 0.0236 -0.1355 0.0023 11 VAL b N ? ? 1 +29168 C CA . VAL V 10 0.2298 0.9131 0.8758 0.0295 -0.1394 0.0027 11 VAL b CA ? ? 1 +29169 C CB . VAL V 10 0.2271 0.9039 0.8691 0.0313 -0.1342 0.0077 11 VAL b CB ? ? 1 +29170 C CG1 . VAL V 10 0.2350 0.8984 0.8619 0.0318 -0.1304 0.0116 11 VAL b CG1 ? ? 1 +29171 C CG2 . VAL V 10 0.2127 0.8958 0.8671 0.0266 -0.1286 0.0082 11 VAL b CG2 ? ? 1 +29172 C C . VAL V 10 0.2269 0.9240 0.8883 0.0293 -0.1432 -0.0013 11 VAL b C ? ? 1 +29173 O O . VAL V 10 0.2300 0.9301 0.8927 0.0345 -0.1474 -0.0019 11 VAL b O ? ? 1 +29174 N N . LEU V 11 0.2216 0.9268 0.8946 0.0232 -0.1411 -0.0040 12 LEU b N ? ? 1 +29175 C CA . LEU V 11 0.2198 0.9386 0.9082 0.0220 -0.1439 -0.0082 12 LEU b CA ? ? 1 +29176 C CB . LEU V 11 0.2075 0.9315 0.9069 0.0151 -0.1379 -0.0085 12 LEU b CB ? ? 1 +29177 C CG . LEU V 11 0.2002 0.9199 0.8993 0.0142 -0.1309 -0.0041 12 LEU b CG ? ? 1 +29178 C CD1 . LEU V 11 0.1904 0.9146 0.8989 0.0074 -0.1256 -0.0048 12 LEU b CD1 ? ? 1 +29179 C CD2 . LEU V 11 0.1992 0.9227 0.9028 0.0185 -0.1317 -0.0032 12 LEU b CD2 ? ? 1 +29180 C C . LEU V 11 0.2300 0.9552 0.9213 0.0222 -0.1511 -0.0134 12 LEU b C ? ? 1 +29181 O O . LEU V 11 0.2301 0.9670 0.9338 0.0223 -0.1545 -0.0171 12 LEU b O ? ? 1 +29182 N N . ILE V 12 0.2431 0.9611 0.9236 0.0223 -0.1534 -0.0138 13 ILE b N ? ? 1 +29183 C CA . ILE V 12 0.2554 0.9793 0.9390 0.0211 -0.1595 -0.0190 13 ILE b CA ? ? 1 +29184 C CB . ILE V 12 0.2662 0.9792 0.9351 0.0211 -0.1606 -0.0185 13 ILE b CB ? ? 1 +29185 C CG1 . ILE V 12 0.2636 0.9701 0.9296 0.0154 -0.1531 -0.0160 13 ILE b CG1 ? ? 1 +29186 C CG2 . ILE V 12 0.2723 0.9907 0.9434 0.0204 -0.1676 -0.0240 13 ILE b CG2 ? ? 1 +29187 C CD1 . ILE V 12 0.2730 0.9677 0.9236 0.0156 -0.1530 -0.0149 13 ILE b CD1 ? ? 1 +29188 C C . ILE V 12 0.2666 0.9989 0.9551 0.0264 -0.1676 -0.0225 13 ILE b C ? ? 1 +29189 O O . ILE V 12 0.2698 1.0131 0.9694 0.0242 -0.1718 -0.0277 13 ILE b O ? ? 1 +29190 N N . ASN V 13 0.2804 1.0075 0.9606 0.0334 -0.1699 -0.0199 14 ASN b N ? ? 1 +29191 C CA . ASN V 13 0.2950 1.0289 0.9785 0.0395 -0.1776 -0.0227 14 ASN b CA ? ? 1 +29192 C CB . ASN V 13 0.3249 1.0480 0.9909 0.0460 -0.1828 -0.0214 14 ASN b CB ? ? 1 +29193 C CG . ASN V 13 0.3483 1.0696 1.0090 0.0438 -0.1868 -0.0247 14 ASN b CG ? ? 1 +29194 O OD1 . ASN V 13 0.3655 1.0749 1.0127 0.0429 -0.1842 -0.0221 14 ASN b OD1 ? ? 1 +29195 N ND2 . ASN V 13 0.3549 1.0885 1.0269 0.0427 -0.1930 -0.0307 14 ASN b ND2 ? ? 1 +29196 C C . ASN V 13 0.2817 1.0205 0.9726 0.0428 -0.1761 -0.0210 14 ASN b C ? ? 1 +29197 O O . ASN V 13 0.2891 1.0275 0.9764 0.0498 -0.1810 -0.0209 14 ASN b O ? ? 1 +29198 N N . ASP V 14 0.2630 1.0061 0.9642 0.0377 -0.1693 -0.0200 15 ASP b N ? ? 1 +29199 C CA . ASP V 14 0.2523 0.9997 0.9608 0.0399 -0.1669 -0.0184 15 ASP b CA ? ? 1 +29200 C CB . ASP V 14 0.2525 0.9872 0.9503 0.0407 -0.1602 -0.0121 15 ASP b CB ? ? 1 +29201 C CG . ASP V 14 0.2509 0.9869 0.9526 0.0442 -0.1581 -0.0099 15 ASP b CG ? ? 1 +29202 O OD1 . ASP V 14 0.2521 0.9998 0.9667 0.0450 -0.1602 -0.0130 15 ASP b OD1 ? ? 1 +29203 O OD2 . ASP V 14 0.2566 0.9818 0.9482 0.0461 -0.1543 -0.0052 15 ASP b OD2 ? ? 1 +29204 C C . ASP V 14 0.2346 0.9950 0.9611 0.0338 -0.1639 -0.0216 15 ASP b C ? ? 1 +29205 O O . ASP V 14 0.2265 0.9854 0.9561 0.0289 -0.1567 -0.0193 15 ASP b O ? ? 1 +29206 N N . PRO V 15 0.2282 1.0019 0.9670 0.0337 -0.1693 -0.0271 16 PRO b N ? ? 1 +29207 C CA . PRO V 15 0.2143 1.0004 0.9701 0.0275 -0.1664 -0.0304 16 PRO b CA ? ? 1 +29208 C CB . PRO V 15 0.2175 1.0170 0.9839 0.0300 -0.1744 -0.0364 16 PRO b CB ? ? 1 +29209 C CG . PRO V 15 0.2307 1.0229 0.9835 0.0351 -0.1814 -0.0367 16 PRO b CG ? ? 1 +29210 C CD . PRO V 15 0.2367 1.0141 0.9736 0.0396 -0.1785 -0.0305 16 PRO b CD ? ? 1 +29211 C C . PRO V 15 0.2015 0.9899 0.9644 0.0268 -0.1601 -0.0278 16 PRO b C ? ? 1 +29212 O O . PRO V 15 0.1924 0.9832 0.9623 0.0204 -0.1540 -0.0276 16 PRO b O ? ? 1 +29213 N N . GLY V 16 0.2006 0.9875 0.9608 0.0336 -0.1616 -0.0258 17 GLY b N ? ? 1 +29214 C CA . GLY V 16 0.1902 0.9784 0.9559 0.0336 -0.1559 -0.0233 17 GLY b CA ? ? 1 +29215 C C . GLY V 16 0.1821 0.9602 0.9415 0.0289 -0.1477 -0.0187 17 GLY b C ? ? 1 +29216 O O . GLY V 16 0.1719 0.9543 0.9401 0.0243 -0.1421 -0.0185 17 GLY b O ? ? 1 +29217 N N . ARG V 17 0.1857 0.9504 0.9297 0.0301 -0.1470 -0.0149 18 ARG b N ? ? 1 +29218 C CA . ARG V 17 0.1806 0.9361 0.9186 0.0260 -0.1395 -0.0106 18 ARG b CA ? ? 1 +29219 C CB . ARG V 17 0.1933 0.9343 0.9142 0.0299 -0.1392 -0.0061 18 ARG b CB ? ? 1 +29220 C CG . ARG V 17 0.2022 0.9405 0.9201 0.0363 -0.1401 -0.0038 18 ARG b CG ? ? 1 +29221 C CD . ARG V 17 0.2120 0.9359 0.9145 0.0390 -0.1378 0.0012 18 ARG b CD ? ? 1 +29222 N NE . ARG V 17 0.2197 0.9409 0.9202 0.0445 -0.1379 0.0034 18 ARG b NE ? ? 1 +29223 C CZ . ARG V 17 0.2300 0.9390 0.9186 0.0469 -0.1350 0.0080 18 ARG b CZ ? ? 1 +29224 N NH1 . ARG V 17 0.2346 0.9329 0.9110 0.0456 -0.1330 0.0107 18 ARG b NH1 ? ? 1 +29225 N NH2 . ARG V 17 0.2321 0.9396 0.9213 0.0504 -0.1338 0.0098 18 ARG b NH2 ? ? 1 +29226 C C . ARG V 17 0.1695 0.9261 0.9106 0.0185 -0.1365 -0.0121 18 ARG b C ? ? 1 +29227 O O . ARG V 17 0.1622 0.9157 0.9040 0.0140 -0.1300 -0.0098 18 ARG b O ? ? 1 +29228 N N . LEU V 18 0.1687 0.9297 0.9116 0.0172 -0.1413 -0.0160 19 LEU b N ? ? 1 +29229 C CA . LEU V 18 0.1610 0.9244 0.9087 0.0100 -0.1387 -0.0181 19 LEU b CA ? ? 1 +29230 C CB . LEU V 18 0.1676 0.9346 0.9153 0.0097 -0.1452 -0.0225 19 LEU b CB ? ? 1 +29231 C CG . LEU V 18 0.1647 0.9333 0.9162 0.0023 -0.1430 -0.0249 19 LEU b CG ? ? 1 +29232 C CD1 . LEU V 18 0.1667 0.9227 0.9057 0.0003 -0.1391 -0.0214 19 LEU b CD1 ? ? 1 +29233 C CD2 . LEU V 18 0.1707 0.9461 0.9261 0.0019 -0.1499 -0.0304 19 LEU b CD2 ? ? 1 +29234 C C . LEU V 18 0.1478 0.9216 0.9107 0.0055 -0.1347 -0.0200 19 LEU b C ? ? 1 +29235 O O . LEU V 18 0.1403 0.9115 0.9045 0.0002 -0.1285 -0.0185 19 LEU b O ? ? 1 +29236 N N . ILE V 19 0.1435 0.9285 0.9175 0.0080 -0.1381 -0.0231 20 ILE b N ? ? 1 +29237 C CA . ILE V 19 0.1322 0.9271 0.9204 0.0043 -0.1341 -0.0248 20 ILE b CA ? ? 1 +29238 C CB . ILE V 19 0.1318 0.9394 0.9315 0.0084 -0.1389 -0.0286 20 ILE b CB ? ? 1 +29239 C CG1 . ILE V 19 0.1359 0.9520 0.9415 0.0073 -0.1454 -0.0341 20 ILE b CG1 ? ? 1 +29240 C CG2 . ILE V 19 0.1226 0.9388 0.9353 0.0057 -0.1339 -0.0294 20 ILE b CG2 ? ? 1 +29241 C CD1 . ILE V 19 0.1387 0.9656 0.9525 0.0125 -0.1516 -0.0377 20 ILE b CD1 ? ? 1 +29242 C C . ILE V 19 0.1251 0.9136 0.9106 0.0037 -0.1270 -0.0201 20 ILE b C ? ? 1 +29243 O O . ILE V 19 0.1183 0.9089 0.9099 -0.0018 -0.1214 -0.0201 20 ILE b O ? ? 1 +29244 N N . ALA V 20 0.1278 0.9085 0.9039 0.0093 -0.1273 -0.0163 21 ALA b N ? ? 1 +29245 C CA . ALA V 20 0.1227 0.8967 0.8952 0.0088 -0.1209 -0.0119 21 ALA b CA ? ? 1 +29246 C CB . ALA V 20 0.1287 0.8941 0.8904 0.0155 -0.1224 -0.0083 21 ALA b CB ? ? 1 +29247 C C . ALA V 20 0.1181 0.8842 0.8849 0.0032 -0.1155 -0.0095 21 ALA b C ? ? 1 +29248 O O . ALA V 20 0.1116 0.8771 0.8817 -0.0002 -0.1097 -0.0079 21 ALA b O ? ? 1 +29249 N N . ALA V 21 0.1229 0.8827 0.8809 0.0025 -0.1175 -0.0093 22 ALA b N ? ? 1 +29250 C CA . ALA V 21 0.1205 0.8726 0.8725 -0.0023 -0.1128 -0.0071 22 ALA b CA ? ? 1 +29251 C CB . ALA V 21 0.1281 0.8722 0.8683 -0.0011 -0.1159 -0.0066 22 ALA b CB ? ? 1 +29252 C C . ALA V 21 0.1141 0.8728 0.8761 -0.0090 -0.1100 -0.0100 22 ALA b C ? ? 1 +29253 O O . ALA V 21 0.1082 0.8630 0.8696 -0.0131 -0.1044 -0.0081 22 ALA b O ? ? 1 +29254 N N . HIS V 22 0.1150 0.8836 0.8862 -0.0100 -0.1141 -0.0147 23 HIS b N ? ? 1 +29255 C CA . HIS V 22 0.1100 0.8857 0.8916 -0.0164 -0.1116 -0.0179 23 HIS b CA ? ? 1 +29256 C CB . HIS V 22 0.1141 0.8993 0.9032 -0.0169 -0.1176 -0.0233 23 HIS b CB ? ? 1 +29257 C CG . HIS V 22 0.1212 0.9008 0.9015 -0.0171 -0.1215 -0.0243 23 HIS b CG ? ? 1 +29258 N ND1 . HIS V 22 0.1248 0.9114 0.9098 -0.0173 -0.1276 -0.0291 23 HIS b ND1 ? ? 1 +29259 C CE1 . HIS V 22 0.1316 0.9100 0.9058 -0.0174 -0.1297 -0.0287 23 HIS b CE1 ? ? 1 +29260 N NE2 . HIS V 22 0.1316 0.8984 0.8948 -0.0172 -0.1251 -0.0239 23 HIS b NE2 ? ? 1 +29261 C CD2 . HIS V 22 0.1245 0.8922 0.8918 -0.0172 -0.1200 -0.0211 23 HIS b CD2 ? ? 1 +29262 C C . HIS V 22 0.1026 0.8836 0.8936 -0.0181 -0.1066 -0.0174 23 HIS b C ? ? 1 +29263 O O . HIS V 22 0.0986 0.8795 0.8930 -0.0236 -0.1015 -0.0174 23 HIS b O ? ? 1 +29264 N N . LEU V 23 0.1018 0.8866 0.8959 -0.0132 -0.1079 -0.0168 24 LEU b N ? ? 1 +29265 C CA . LEU V 23 0.0952 0.8839 0.8966 -0.0141 -0.1030 -0.0160 24 LEU b CA ? ? 1 +29266 C CB . LEU V 23 0.0972 0.8908 0.9020 -0.0077 -0.1061 -0.0162 24 LEU b CB ? ? 1 +29267 C CG . LEU V 23 0.0998 0.9066 0.9163 -0.0064 -0.1111 -0.0214 24 LEU b CG ? ? 1 +29268 C CD1 . LEU V 23 0.1031 0.9131 0.9207 0.0011 -0.1149 -0.0213 24 LEU b CD1 ? ? 1 +29269 C CD2 . LEU V 23 0.0941 0.9109 0.9243 -0.0120 -0.1073 -0.0246 24 LEU b CD2 ? ? 1 +29270 C C . LEU V 23 0.0916 0.8701 0.8852 -0.0158 -0.0970 -0.0113 24 LEU b C ? ? 1 +29271 O O . LEU V 23 0.0851 0.8648 0.8835 -0.0198 -0.0917 -0.0110 24 LEU b O ? ? 1 +29272 N N . MET V 24 0.0958 0.8641 0.8772 -0.0128 -0.0977 -0.0078 25 MET b N ? ? 1 +29273 C CA . MET V 24 0.0931 0.8523 0.8675 -0.0139 -0.0923 -0.0035 25 MET b CA ? ? 1 +29274 C CB . MET V 24 0.0996 0.8490 0.8615 -0.0095 -0.0938 0.0000 25 MET b CB ? ? 1 +29275 C CG . MET V 24 0.0981 0.8388 0.8535 -0.0105 -0.0885 0.0043 25 MET b CG ? ? 1 +29276 S SD . MET V 24 0.0943 0.8379 0.8562 -0.0101 -0.0841 0.0056 25 MET b SD ? ? 1 +29277 C CE . MET V 24 0.0998 0.8441 0.8597 -0.0028 -0.0889 0.0058 25 MET b CE ? ? 1 +29278 C C . MET V 24 0.0897 0.8461 0.8634 -0.0201 -0.0886 -0.0037 25 MET b C ? ? 1 +29279 O O . MET V 24 0.0847 0.8394 0.8600 -0.0231 -0.0834 -0.0021 25 MET b O ? ? 1 +29280 N N . HIS V 25 0.0934 0.8492 0.8649 -0.0219 -0.0914 -0.0057 26 HIS b N ? ? 1 +29281 C CA . HIS V 25 0.0917 0.8446 0.8624 -0.0276 -0.0883 -0.0062 26 HIS b CA ? ? 1 +29282 C CB . HIS V 25 0.0975 0.8497 0.8650 -0.0286 -0.0925 -0.0087 26 HIS b CB ? ? 1 +29283 C CG . HIS V 25 0.0980 0.8455 0.8629 -0.0339 -0.0895 -0.0089 26 HIS b CG ? ? 1 +29284 N ND1 . HIS V 25 0.0978 0.8509 0.8705 -0.0390 -0.0890 -0.0125 26 HIS b ND1 ? ? 1 +29285 C CE1 . HIS V 25 0.0986 0.8446 0.8658 -0.0427 -0.0860 -0.0116 26 HIS b CE1 ? ? 1 +29286 N NE2 . HIS V 25 0.0989 0.8358 0.8558 -0.0401 -0.0845 -0.0077 26 HIS b NE2 ? ? 1 +29287 C CD2 . HIS V 25 0.0991 0.8368 0.8545 -0.0348 -0.0865 -0.0059 26 HIS b CD2 ? ? 1 +29288 C C . HIS V 25 0.0867 0.8467 0.8683 -0.0324 -0.0848 -0.0084 26 HIS b C ? ? 1 +29289 O O . HIS V 25 0.0830 0.8391 0.8636 -0.0362 -0.0798 -0.0070 26 HIS b O ? ? 1 +29290 N N . THR V 26 0.0866 0.8571 0.8785 -0.0320 -0.0874 -0.0120 27 THR b N ? ? 1 +29291 C CA . THR V 26 0.0828 0.8608 0.8857 -0.0365 -0.0840 -0.0144 27 THR b CA ? ? 1 +29292 C CB . THR V 26 0.0826 0.8732 0.8971 -0.0357 -0.0882 -0.0191 27 THR b CB ? ? 1 +29293 O OG1 . THR V 26 0.0868 0.8780 0.8990 -0.0353 -0.0937 -0.0216 27 THR b OG1 ? ? 1 +29294 C CG2 . THR V 26 0.0792 0.8777 0.9052 -0.0411 -0.0845 -0.0220 27 THR b CG2 ? ? 1 +29295 C C . THR V 26 0.0795 0.8557 0.8832 -0.0363 -0.0786 -0.0115 27 THR b C ? ? 1 +29296 O O . THR V 26 0.0763 0.8521 0.8828 -0.0409 -0.0737 -0.0115 27 THR b O ? ? 1 +29297 N N . ALA V 27 0.0825 0.8572 0.8831 -0.0309 -0.0797 -0.0092 28 ALA b N ? ? 1 +29298 C CA . ALA V 27 0.0831 0.8549 0.8830 -0.0302 -0.0750 -0.0062 28 ALA b CA ? ? 1 +29299 C CB . ALA V 27 0.0843 0.8537 0.8798 -0.0239 -0.0773 -0.0039 28 ALA b CB ? ? 1 +29300 C C . ALA V 27 0.0871 0.8492 0.8791 -0.0333 -0.0705 -0.0030 28 ALA b C ? ? 1 +29301 O O . ALA V 27 0.0844 0.8458 0.8785 -0.0359 -0.0656 -0.0021 28 ALA b O ? ? 1 +29302 N N . LEU V 28 0.0969 0.8516 0.8797 -0.0327 -0.0721 -0.0014 29 LEU b N ? ? 1 +29303 C CA . LEU V 28 0.1028 0.8484 0.8779 -0.0350 -0.0683 0.0016 29 LEU b CA ? ? 1 +29304 C CB . LEU V 28 0.1124 0.8507 0.8773 -0.0329 -0.0710 0.0032 29 LEU b CB ? ? 1 +29305 C CG . LEU V 28 0.1209 0.8554 0.8800 -0.0276 -0.0726 0.0060 29 LEU b CG ? ? 1 +29306 C CD1 . LEU V 28 0.1300 0.8580 0.8795 -0.0256 -0.0754 0.0071 29 LEU b CD1 ? ? 1 +29307 C CD2 . LEU V 28 0.1233 0.8525 0.8792 -0.0275 -0.0681 0.0094 29 LEU b CD2 ? ? 1 +29308 C C . LEU V 28 0.1015 0.8475 0.8797 -0.0409 -0.0650 0.0000 29 LEU b C ? ? 1 +29309 O O . LEU V 28 0.1023 0.8438 0.8783 -0.0431 -0.0605 0.0019 29 LEU b O ? ? 1 +29310 N N . VAL V 29 0.1023 0.8535 0.8854 -0.0433 -0.0674 -0.0037 30 VAL b N ? ? 1 +29311 C CA . VAL V 29 0.1017 0.8526 0.8873 -0.0491 -0.0645 -0.0053 30 VAL b CA ? ? 1 +29312 C CB . VAL V 29 0.1072 0.8617 0.8954 -0.0512 -0.0683 -0.0091 30 VAL b CB ? ? 1 +29313 C CG1 . VAL V 29 0.1091 0.8632 0.9003 -0.0577 -0.0649 -0.0110 30 VAL b CG1 ? ? 1 +29314 C CG2 . VAL V 29 0.1116 0.8597 0.8901 -0.0487 -0.0720 -0.0080 30 VAL b CG2 ? ? 1 +29315 C C . VAL V 29 0.0973 0.8532 0.8910 -0.0519 -0.0601 -0.0062 30 VAL b C ? ? 1 +29316 O O . VAL V 29 0.0985 0.8500 0.8906 -0.0557 -0.0556 -0.0052 30 VAL b O ? ? 1 +29317 N N . ALA V 30 0.0927 0.8575 0.8949 -0.0499 -0.0614 -0.0079 31 ALA b N ? ? 1 +29318 C CA . ALA V 30 0.0859 0.8556 0.8958 -0.0519 -0.0571 -0.0086 31 ALA b CA ? ? 1 +29319 C CB . ALA V 30 0.0841 0.8646 0.9037 -0.0492 -0.0598 -0.0113 31 ALA b CB ? ? 1 +29320 C C . ALA V 30 0.0800 0.8428 0.8841 -0.0505 -0.0530 -0.0047 31 ALA b C ? ? 1 +29321 O O . ALA V 30 0.0774 0.8389 0.8828 -0.0537 -0.0481 -0.0042 31 ALA b O ? ? 1 +29322 N N . GLY V 31 0.0783 0.8364 0.8755 -0.0459 -0.0551 -0.0018 32 GLY b N ? ? 1 +29323 C CA . GLY V 31 0.0754 0.8265 0.8664 -0.0446 -0.0518 0.0019 32 GLY b CA ? ? 1 +29324 C C . GLY V 31 0.0731 0.8161 0.8578 -0.0482 -0.0482 0.0037 32 GLY b C ? ? 1 +29325 O O . GLY V 31 0.0703 0.8102 0.8537 -0.0494 -0.0440 0.0053 32 GLY b O ? ? 1 +29326 N N . TRP V 32 0.0743 0.8140 0.8548 -0.0497 -0.0500 0.0032 33 TRP b N ? ? 1 +29327 C CA . TRP V 32 0.0754 0.8075 0.8499 -0.0530 -0.0470 0.0045 33 TRP b CA ? ? 1 +29328 C CB . TRP V 32 0.0798 0.8087 0.8497 -0.0537 -0.0500 0.0037 33 TRP b CB ? ? 1 +29329 C CG . TRP V 32 0.0824 0.8037 0.8465 -0.0570 -0.0468 0.0047 33 TRP b CG ? ? 1 +29330 C CD1 . TRP V 32 0.0832 0.7965 0.8392 -0.0557 -0.0452 0.0079 33 TRP b CD1 ? ? 1 +29331 N NE1 . TRP V 32 0.0861 0.7939 0.8386 -0.0592 -0.0425 0.0079 33 TRP b NE1 ? ? 1 +29332 C CE2 . TRP V 32 0.0877 0.7994 0.8459 -0.0631 -0.0421 0.0048 33 TRP b CE2 ? ? 1 +29333 C CZ2 . TRP V 32 0.0921 0.8000 0.8490 -0.0676 -0.0396 0.0036 33 TRP b CZ2 ? ? 1 +29334 C CH2 . TRP V 32 0.0944 0.8081 0.8587 -0.0715 -0.0395 0.0001 33 TRP b CH2 ? ? 1 +29335 C CZ3 . TRP V 32 0.0911 0.8147 0.8641 -0.0706 -0.0423 -0.0023 33 TRP b CZ3 ? ? 1 +29336 C CE3 . TRP V 32 0.0873 0.8144 0.8611 -0.0656 -0.0450 -0.0011 33 TRP b CE3 ? ? 1 +29337 C CD2 . TRP V 32 0.0853 0.8060 0.8513 -0.0620 -0.0448 0.0026 33 TRP b CD2 ? ? 1 +29338 C C . TRP V 32 0.0746 0.8083 0.8539 -0.0579 -0.0429 0.0029 33 TRP b C ? ? 1 +29339 O O . TRP V 32 0.0739 0.8018 0.8492 -0.0595 -0.0389 0.0048 33 TRP b O ? ? 1 +29340 N N . ALA V 33 0.0736 0.8149 0.8611 -0.0603 -0.0439 -0.0007 34 ALA b N ? ? 1 +29341 C CA . ALA V 33 0.0734 0.8165 0.8658 -0.0654 -0.0398 -0.0026 34 ALA b CA ? ? 1 +29342 C CB . ALA V 33 0.0750 0.8283 0.8779 -0.0675 -0.0419 -0.0070 34 ALA b CB ? ? 1 +29343 C C . ALA V 33 0.0700 0.8130 0.8638 -0.0651 -0.0354 -0.0010 34 ALA b C ? ? 1 +29344 O O . ALA V 33 0.0708 0.8088 0.8618 -0.0683 -0.0310 -0.0001 34 ALA b O ? ? 1 +29345 N N . GLY V 34 0.0677 0.8159 0.8653 -0.0612 -0.0367 -0.0007 35 GLY b N ? ? 1 +29346 C CA . GLY V 34 0.0666 0.8147 0.8652 -0.0604 -0.0329 0.0008 35 GLY b CA ? ? 1 +29347 C C . GLY V 34 0.0669 0.8050 0.8557 -0.0593 -0.0307 0.0046 35 GLY b C ? ? 1 +29348 O O . GLY V 34 0.0672 0.8018 0.8544 -0.0615 -0.0263 0.0055 35 GLY b O ? ? 1 +29349 N N . SER V 35 0.0681 0.8018 0.8506 -0.0560 -0.0338 0.0067 36 SER b N ? ? 1 +29350 C CA . SER V 35 0.0704 0.7953 0.8441 -0.0550 -0.0321 0.0101 36 SER b CA ? ? 1 +29351 C CB . SER V 35 0.0703 0.7916 0.8381 -0.0518 -0.0357 0.0118 36 SER b CB ? ? 1 +29352 O OG . SER V 35 0.0709 0.7967 0.8415 -0.0479 -0.0388 0.0116 36 SER b OG ? ? 1 +29353 C C . SER V 35 0.0754 0.7942 0.8448 -0.0590 -0.0290 0.0104 36 SER b C ? ? 1 +29354 O O . SER V 35 0.0758 0.7896 0.8414 -0.0597 -0.0257 0.0122 36 SER b O ? ? 1 +29355 N N . MET V 36 0.0830 0.8018 0.8526 -0.0616 -0.0304 0.0086 37 MET b N ? ? 1 +29356 C CA . MET V 36 0.0905 0.8026 0.8552 -0.0651 -0.0278 0.0089 37 MET b CA ? ? 1 +29357 C CB . MET V 36 0.0958 0.8081 0.8607 -0.0673 -0.0302 0.0068 37 MET b CB ? ? 1 +29358 C CG . MET V 36 0.1037 0.8074 0.8617 -0.0703 -0.0279 0.0074 37 MET b CG ? ? 1 +29359 S SD . MET V 36 0.1151 0.8088 0.8619 -0.0669 -0.0278 0.0115 37 MET b SD ? ? 1 +29360 C CE . MET V 36 0.1136 0.8087 0.8591 -0.0645 -0.0325 0.0110 37 MET b CE ? ? 1 +29361 C C . MET V 36 0.0937 0.8058 0.8611 -0.0687 -0.0230 0.0082 37 MET b C ? ? 1 +29362 O O . MET V 36 0.0962 0.8010 0.8575 -0.0699 -0.0198 0.0100 37 MET b O ? ? 1 +29363 N N . ALA V 37 0.0936 0.8140 0.8700 -0.0701 -0.0223 0.0057 38 ALA b N ? ? 1 +29364 C CA . ALA V 37 0.0980 0.8190 0.8775 -0.0736 -0.0174 0.0048 38 ALA b CA ? ? 1 +29365 C CB . ALA V 37 0.0962 0.8281 0.8870 -0.0750 -0.0174 0.0014 38 ALA b CB ? ? 1 +29366 C C . ALA V 37 0.0991 0.8158 0.8742 -0.0715 -0.0145 0.0075 38 ALA b C ? ? 1 +29367 O O . ALA V 37 0.1028 0.8134 0.8734 -0.0737 -0.0105 0.0086 38 ALA b O ? ? 1 +29368 N N . LEU V 38 0.0986 0.8184 0.8749 -0.0671 -0.0167 0.0086 39 LEU b N ? ? 1 +29369 C CA . LEU V 38 0.1012 0.8175 0.8739 -0.0650 -0.0144 0.0109 39 LEU b CA ? ? 1 +29370 C CB . LEU V 38 0.0983 0.8188 0.8732 -0.0603 -0.0175 0.0115 39 LEU b CB ? ? 1 +29371 C CG . LEU V 38 0.0980 0.8280 0.8823 -0.0596 -0.0179 0.0090 39 LEU b CG ? ? 1 +29372 C CD1 . LEU V 38 0.0952 0.8275 0.8799 -0.0546 -0.0213 0.0100 39 LEU b CD1 ? ? 1 +29373 C CD2 . LEU V 38 0.1005 0.8321 0.8881 -0.0616 -0.0130 0.0082 39 LEU b CD2 ? ? 1 +29374 C C . LEU V 38 0.1054 0.8118 0.8681 -0.0646 -0.0136 0.0137 39 LEU b C ? ? 1 +29375 O O . LEU V 38 0.1048 0.8067 0.8637 -0.0647 -0.0104 0.0151 39 LEU b O ? ? 1 +29376 N N . TYR V 39 0.1111 0.8141 0.8695 -0.0639 -0.0164 0.0145 40 TYR b N ? ? 1 +29377 C CA . TYR V 39 0.1197 0.8139 0.8692 -0.0632 -0.0160 0.0170 40 TYR b CA ? ? 1 +29378 C CB . TYR V 39 0.1183 0.8110 0.8646 -0.0613 -0.0198 0.0177 40 TYR b CB ? ? 1 +29379 C CG . TYR V 39 0.1209 0.8052 0.8587 -0.0607 -0.0193 0.0199 40 TYR b CG ? ? 1 +29380 C CD1 . TYR V 39 0.1213 0.8027 0.8551 -0.0576 -0.0198 0.0222 40 TYR b CD1 ? ? 1 +29381 C CD2 . TYR V 39 0.1268 0.8062 0.8609 -0.0632 -0.0185 0.0194 40 TYR b CD2 ? ? 1 +29382 C CE1 . TYR V 39 0.1254 0.7999 0.8521 -0.0569 -0.0195 0.0240 40 TYR b CE1 ? ? 1 +29383 C CE2 . TYR V 39 0.1290 0.8010 0.8555 -0.0623 -0.0182 0.0213 40 TYR b CE2 ? ? 1 +29384 C CZ . TYR V 39 0.1296 0.7994 0.8527 -0.0590 -0.0188 0.0235 40 TYR b CZ ? ? 1 +29385 O OH . TYR V 39 0.1316 0.7949 0.8479 -0.0578 -0.0186 0.0252 40 TYR b OH ? ? 1 +29386 C C . TYR V 39 0.1290 0.8175 0.8749 -0.0670 -0.0124 0.0168 40 TYR b C ? ? 1 +29387 O O . TYR V 39 0.1328 0.8144 0.8721 -0.0667 -0.0102 0.0187 40 TYR b O ? ? 1 +29388 N N . GLU V 40 0.1329 0.8240 0.8828 -0.0706 -0.0119 0.0143 41 GLU b N ? ? 1 +29389 C CA . GLU V 40 0.1396 0.8251 0.8863 -0.0747 -0.0082 0.0139 41 GLU b CA ? ? 1 +29390 C CB . GLU V 40 0.1396 0.8288 0.8915 -0.0785 -0.0086 0.0109 41 GLU b CB ? ? 1 +29391 C CG . GLU V 40 0.1381 0.8254 0.8870 -0.0776 -0.0125 0.0108 41 GLU b CG ? ? 1 +29392 C CD . GLU V 40 0.1391 0.8274 0.8907 -0.0818 -0.0128 0.0079 41 GLU b CD ? ? 1 +29393 O OE1 . GLU V 40 0.1443 0.8344 0.9001 -0.0860 -0.0095 0.0061 41 GLU b OE1 ? ? 1 +29394 O OE2 . GLU V 40 0.1369 0.8242 0.8864 -0.0810 -0.0162 0.0075 41 GLU b OE2 ? ? 1 +29395 C C . GLU V 40 0.1461 0.8307 0.8931 -0.0760 -0.0036 0.0142 41 GLU b C ? ? 1 +29396 O O . GLU V 40 0.1508 0.8273 0.8908 -0.0772 -0.0006 0.0156 41 GLU b O ? ? 1 +29397 N N . LEU V 41 0.1478 0.8404 0.9025 -0.0756 -0.0032 0.0128 42 LEU b N ? ? 1 +29398 C CA . LEU V 41 0.1527 0.8450 0.9081 -0.0766 0.0013 0.0129 42 LEU b CA ? ? 1 +29399 C CB . LEU V 41 0.1452 0.8480 0.9107 -0.0761 0.0013 0.0108 42 LEU b CB ? ? 1 +29400 C CG . LEU V 41 0.1455 0.8554 0.9197 -0.0801 0.0020 0.0074 42 LEU b CG ? ? 1 +29401 C CD1 . LEU V 41 0.1405 0.8615 0.9252 -0.0788 0.0016 0.0052 42 LEU b CD1 ? ? 1 +29402 C CD2 . LEU V 41 0.1513 0.8561 0.9232 -0.0851 0.0073 0.0069 42 LEU b CD2 ? ? 1 +29403 C C . LEU V 41 0.1590 0.8446 0.9065 -0.0735 0.0020 0.0159 42 LEU b C ? ? 1 +29404 O O . LEU V 41 0.1685 0.8488 0.9116 -0.0748 0.0059 0.0167 42 LEU b O ? ? 1 +29405 N N . ALA V 42 0.1615 0.8473 0.9072 -0.0694 -0.0019 0.0174 43 ALA b N ? ? 1 +29406 C CA . ALA V 42 0.1707 0.8508 0.9095 -0.0665 -0.0018 0.0200 43 ALA b CA ? ? 1 +29407 C CB . ALA V 42 0.1659 0.8488 0.9055 -0.0624 -0.0062 0.0210 43 ALA b CB ? ? 1 +29408 C C . ALA V 42 0.1830 0.8533 0.9124 -0.0670 -0.0009 0.0217 43 ALA b C ? ? 1 +29409 O O . ALA V 42 0.2050 0.8702 0.9286 -0.0650 -0.0003 0.0236 43 ALA b O ? ? 1 +29410 N N . THR V 43 0.1853 0.8530 0.9133 -0.0694 -0.0011 0.0211 44 THR b N ? ? 1 +29411 C CA . THR V 43 0.1948 0.8532 0.9138 -0.0695 -0.0006 0.0227 44 THR b CA ? ? 1 +29412 C CB . THR V 43 0.1958 0.8539 0.9135 -0.0677 -0.0046 0.0231 44 THR b CB ? ? 1 +29413 O OG1 . THR V 43 0.2005 0.8631 0.9235 -0.0701 -0.0057 0.0209 44 THR b OG1 ? ? 1 +29414 C CG2 . THR V 43 0.1923 0.8545 0.9118 -0.0637 -0.0080 0.0241 44 THR b CG2 ? ? 1 +29415 C C . THR V 43 0.2041 0.8569 0.9200 -0.0737 0.0032 0.0219 44 THR b C ? ? 1 +29416 O O . THR V 43 0.2245 0.8685 0.9321 -0.0736 0.0043 0.0233 44 THR b O ? ? 1 +29417 N N . PHE V 44 0.1929 0.8510 0.9156 -0.0772 0.0053 0.0196 45 PHE b N ? ? 1 +29418 C CA . PHE V 44 0.1964 0.8498 0.9173 -0.0819 0.0092 0.0185 45 PHE b CA ? ? 1 +29419 C CB . PHE V 44 0.1927 0.8551 0.9239 -0.0856 0.0102 0.0154 45 PHE b CB ? ? 1 +29420 C CG . PHE V 44 0.1934 0.8519 0.9240 -0.0911 0.0146 0.0139 45 PHE b CG ? ? 1 +29421 C CD1 . PHE V 44 0.1972 0.8480 0.9217 -0.0930 0.0145 0.0140 45 PHE b CD1 ? ? 1 +29422 C CD2 . PHE V 44 0.1965 0.8589 0.9325 -0.0943 0.0189 0.0123 45 PHE b CD2 ? ? 1 +29423 C CE1 . PHE V 44 0.2056 0.8521 0.9291 -0.0983 0.0186 0.0127 45 PHE b CE1 ? ? 1 +29424 C CE2 . PHE V 44 0.2042 0.8630 0.9399 -0.0998 0.0232 0.0108 45 PHE b CE2 ? ? 1 +29425 C CZ . PHE V 44 0.2098 0.8604 0.9391 -0.1019 0.0230 0.0110 45 PHE b CZ ? ? 1 +29426 C C . PHE V 44 0.2066 0.8533 0.9213 -0.0825 0.0138 0.0199 45 PHE b C ? ? 1 +29427 O O . PHE V 44 0.2121 0.8623 0.9294 -0.0814 0.0152 0.0200 45 PHE b O ? ? 1 +29428 N N . ASP V 45 0.2189 0.8553 0.9249 -0.0842 0.0161 0.0208 46 ASP b N ? ? 1 +29429 C CA . ASP V 45 0.2299 0.8589 0.9295 -0.0856 0.0210 0.0218 46 ASP b CA ? ? 1 +29430 C CB . ASP V 45 0.2348 0.8518 0.9221 -0.0837 0.0209 0.0243 46 ASP b CB ? ? 1 +29431 C CG . ASP V 45 0.2497 0.8578 0.9288 -0.0846 0.0257 0.0255 46 ASP b CG ? ? 1 +29432 O OD1 . ASP V 45 0.2569 0.8681 0.9399 -0.0872 0.0296 0.0244 46 ASP b OD1 ? ? 1 +29433 O OD2 . ASP V 45 0.2663 0.8646 0.9351 -0.0826 0.0256 0.0275 46 ASP b OD2 ? ? 1 +29434 C C . ASP V 45 0.2392 0.8683 0.9421 -0.0915 0.0257 0.0197 46 ASP b C ? ? 1 +29435 O O . ASP V 45 0.2551 0.8798 0.9558 -0.0945 0.0263 0.0190 46 ASP b O ? ? 1 +29436 N N . PRO V 46 0.2365 0.8707 0.9449 -0.0935 0.0294 0.0185 47 PRO b N ? ? 1 +29437 C CA . PRO V 46 0.2409 0.8756 0.9531 -0.0994 0.0343 0.0163 47 PRO b CA ? ? 1 +29438 C CB . PRO V 46 0.2344 0.8812 0.9579 -0.0996 0.0352 0.0144 47 PRO b CB ? ? 1 +29439 C CG . PRO V 46 0.2335 0.8796 0.9533 -0.0944 0.0339 0.0165 47 PRO b CG ? ? 1 +29440 C CD . PRO V 46 0.2304 0.8707 0.9427 -0.0903 0.0290 0.0188 47 PRO b CD ? ? 1 +29441 C C . PRO V 46 0.2518 0.8746 0.9539 -0.1019 0.0401 0.0176 47 PRO b C ? ? 1 +29442 O O . PRO V 46 0.2618 0.8845 0.9665 -0.1071 0.0450 0.0160 47 PRO b O ? ? 1 +29443 N N . SER V 47 0.2546 0.8675 0.9452 -0.0984 0.0396 0.0205 48 SER b N ? ? 1 +29444 C CA . SER V 47 0.2653 0.8668 0.9455 -0.0997 0.0449 0.0221 48 SER b CA ? ? 1 +29445 C CB . SER V 47 0.2621 0.8568 0.9324 -0.0941 0.0428 0.0250 48 SER b CB ? ? 1 +29446 O OG . SER V 47 0.2630 0.8522 0.9273 -0.0915 0.0387 0.0263 48 SER b OG ? ? 1 +29447 C C . SER V 47 0.2828 0.8731 0.9550 -0.1036 0.0479 0.0223 48 SER b C ? ? 1 +29448 O O . SER V 47 0.3040 0.8844 0.9674 -0.1052 0.0529 0.0234 48 SER b O ? ? 1 +29449 N N . ASP V 48 0.2839 0.8748 0.9582 -0.1049 0.0450 0.0213 49 ASP b N ? ? 1 +29450 C CA . ASP V 48 0.2930 0.8727 0.9596 -0.1086 0.0477 0.0214 49 ASP b CA ? ? 1 +29451 C CB . ASP V 48 0.2968 0.8640 0.9497 -0.1043 0.0456 0.0243 49 ASP b CB ? ? 1 +29452 C CG . ASP V 48 0.3154 0.8690 0.9583 -0.1077 0.0490 0.0247 49 ASP b CG ? ? 1 +29453 O OD1 . ASP V 48 0.3190 0.8731 0.9660 -0.1138 0.0528 0.0226 49 ASP b OD1 ? ? 1 +29454 O OD2 . ASP V 48 0.3297 0.8722 0.9607 -0.1043 0.0479 0.0271 49 ASP b OD2 ? ? 1 +29455 C C . ASP V 48 0.2861 0.8714 0.9607 -0.1123 0.0458 0.0187 49 ASP b C ? ? 1 +29456 O O . ASP V 48 0.2895 0.8739 0.9625 -0.1100 0.0412 0.0189 49 ASP b O ? ? 1 +29457 N N . PRO V 49 0.2785 0.8697 0.9617 -0.1181 0.0495 0.0158 50 PRO b N ? ? 1 +29458 C CA . PRO V 49 0.2717 0.8676 0.9622 -0.1223 0.0480 0.0129 50 PRO b CA ? ? 1 +29459 C CB . PRO V 49 0.2760 0.8801 0.9771 -0.1281 0.0528 0.0100 50 PRO b CB ? ? 1 +29460 C CG . PRO V 49 0.2760 0.8832 0.9778 -0.1257 0.0554 0.0112 50 PRO b CG ? ? 1 +29461 C CD . PRO V 49 0.2814 0.8762 0.9689 -0.1208 0.0550 0.0151 50 PRO b CD ? ? 1 +29462 C C . PRO V 49 0.2769 0.8598 0.9577 -0.1249 0.0492 0.0133 50 PRO b C ? ? 1 +29463 O O . PRO V 49 0.2788 0.8643 0.9640 -0.1274 0.0468 0.0112 50 PRO b O ? ? 1 +29464 N N . VAL V 50 0.2807 0.8493 0.9482 -0.1245 0.0528 0.0159 51 VAL b N ? ? 1 +29465 C CA . VAL V 50 0.2881 0.8430 0.9453 -0.1272 0.0547 0.0163 51 VAL b CA ? ? 1 +29466 C CB . VAL V 50 0.2996 0.8406 0.9447 -0.1288 0.0611 0.0184 51 VAL b CB ? ? 1 +29467 C CG1 . VAL V 50 0.3135 0.8385 0.9460 -0.1303 0.0625 0.0194 51 VAL b CG1 ? ? 1 +29468 C CG2 . VAL V 50 0.3019 0.8472 0.9539 -0.1350 0.0675 0.0165 51 VAL b CG2 ? ? 1 +29469 C C . VAL V 50 0.2856 0.8351 0.9357 -0.1219 0.0491 0.0180 51 VAL b C ? ? 1 +29470 O O . VAL V 50 0.2920 0.8402 0.9427 -0.1238 0.0470 0.0165 51 VAL b O ? ? 1 +29471 N N . LEU V 51 0.2805 0.8268 0.9238 -0.1155 0.0467 0.0209 52 LEU b N ? ? 1 +29472 C CA . LEU V 51 0.2790 0.8197 0.9150 -0.1104 0.0419 0.0226 52 LEU b CA ? ? 1 +29473 C CB . LEU V 51 0.2884 0.8151 0.9096 -0.1067 0.0435 0.0259 52 LEU b CB ? ? 1 +29474 C CG . LEU V 51 0.3035 0.8152 0.9139 -0.1108 0.0492 0.0264 52 LEU b CG ? ? 1 +29475 C CD1 . LEU V 51 0.3142 0.8122 0.9095 -0.1060 0.0497 0.0297 52 LEU b CD1 ? ? 1 +29476 C CD2 . LEU V 51 0.3091 0.8164 0.9187 -0.1142 0.0488 0.0247 52 LEU b CD2 ? ? 1 +29477 C C . LEU V 51 0.2619 0.8142 0.9052 -0.1051 0.0358 0.0227 52 LEU b C ? ? 1 +29478 O O . LEU V 51 0.2634 0.8127 0.9022 -0.1009 0.0317 0.0239 52 LEU b O ? ? 1 +29479 N N . ASN V 52 0.2471 0.8121 0.9014 -0.1054 0.0353 0.0216 53 ASN b N ? ? 1 +29480 C CA . ASN V 52 0.2292 0.8053 0.8910 -0.1011 0.0298 0.0214 53 ASN b CA ? ? 1 +29481 C CB . ASN V 52 0.2228 0.7995 0.8818 -0.0960 0.0289 0.0238 53 ASN b CB ? ? 1 +29482 C CG . ASN V 52 0.2080 0.7930 0.8718 -0.0911 0.0232 0.0242 53 ASN b CG ? ? 1 +29483 O OD1 . ASN V 52 0.2032 0.7903 0.8689 -0.0903 0.0196 0.0235 53 ASN b OD1 ? ? 1 +29484 N ND2 . ASN V 52 0.2021 0.7918 0.8679 -0.0880 0.0224 0.0253 53 ASN b ND2 ? ? 1 +29485 C C . ASN V 52 0.2205 0.8106 0.8965 -0.1040 0.0289 0.0185 53 ASN b C ? ? 1 +29486 O O . ASN V 52 0.2099 0.8094 0.8928 -0.1019 0.0277 0.0184 53 ASN b O ? ? 1 +29487 N N . PRO V 53 0.2223 0.8141 0.9028 -0.1088 0.0293 0.0158 54 PRO b N ? ? 1 +29488 C CA . PRO V 53 0.2139 0.8192 0.9080 -0.1115 0.0280 0.0127 54 PRO b CA ? ? 1 +29489 C CB . PRO V 53 0.2206 0.8225 0.9154 -0.1176 0.0300 0.0102 54 PRO b CB ? ? 1 +29490 C CG . PRO V 53 0.2290 0.8175 0.9112 -0.1159 0.0291 0.0120 54 PRO b CG ? ? 1 +29491 C CD . PRO V 53 0.2319 0.8125 0.9045 -0.1117 0.0307 0.0156 54 PRO b CD ? ? 1 +29492 C C . PRO V 53 0.2041 0.8184 0.9037 -0.1070 0.0216 0.0125 54 PRO b C ? ? 1 +29493 O O . PRO V 53 0.2068 0.8163 0.8997 -0.1026 0.0184 0.0145 54 PRO b O ? ? 1 +29494 N N . MET V 54 0.1937 0.8206 0.9053 -0.1082 0.0199 0.0100 55 MET b N ? ? 1 +29495 C CA . MET V 54 0.1822 0.8182 0.8994 -0.1040 0.0143 0.0098 55 MET b CA ? ? 1 +29496 C CB . MET V 54 0.1782 0.8274 0.9086 -0.1063 0.0129 0.0064 55 MET b CB ? ? 1 +29497 C CG . MET V 54 0.1862 0.8361 0.9206 -0.1121 0.0140 0.0032 55 MET b CG ? ? 1 +29498 S SD . MET V 54 0.1827 0.8495 0.9336 -0.1144 0.0120 -0.0010 55 MET b SD ? ? 1 +29499 C CE . MET V 54 0.1860 0.8555 0.9412 -0.1170 0.0183 -0.0012 55 MET b CE ? ? 1 +29500 C C . MET V 54 0.1790 0.8104 0.8909 -0.1019 0.0102 0.0102 55 MET b C ? ? 1 +29501 O O . MET V 54 0.1728 0.8059 0.8833 -0.0969 0.0064 0.0118 55 MET b O ? ? 1 +29502 N N . TRP V 55 0.1833 0.8087 0.8921 -0.1059 0.0113 0.0087 56 TRP b N ? ? 1 +29503 C CA . TRP V 55 0.1829 0.8045 0.8874 -0.1043 0.0075 0.0086 56 TRP b CA ? ? 1 +29504 C CB . TRP V 55 0.1885 0.8069 0.8934 -0.1100 0.0085 0.0057 56 TRP b CB ? ? 1 +29505 C CG . TRP V 55 0.1983 0.8068 0.8974 -0.1146 0.0142 0.0059 56 TRP b CG ? ? 1 +29506 C CD1 . TRP V 55 0.2012 0.8125 0.9060 -0.1199 0.0185 0.0040 56 TRP b CD1 ? ? 1 +29507 N NE1 . TRP V 55 0.2125 0.8113 0.9084 -0.1232 0.0234 0.0049 56 TRP b NE1 ? ? 1 +29508 C CE2 . TRP V 55 0.2163 0.8041 0.9007 -0.1198 0.0220 0.0072 56 TRP b CE2 ? ? 1 +29509 C CZ2 . TRP V 55 0.2277 0.8005 0.8999 -0.1208 0.0253 0.0088 56 TRP b CZ2 ? ? 1 +29510 C CH2 . TRP V 55 0.2294 0.7940 0.8920 -0.1160 0.0225 0.0109 56 TRP b CH2 ? ? 1 +29511 C CZ3 . TRP V 55 0.2183 0.7894 0.8834 -0.1107 0.0170 0.0114 56 TRP b CZ3 ? ? 1 +29512 C CE3 . TRP V 55 0.2081 0.7934 0.8847 -0.1099 0.0139 0.0100 56 TRP b CE3 ? ? 1 +29513 C CD2 . TRP V 55 0.2075 0.8014 0.8940 -0.1144 0.0162 0.0078 56 TRP b CD2 ? ? 1 +29514 C C . TRP V 55 0.1845 0.7955 0.8774 -0.1001 0.0070 0.0118 56 TRP b C ? ? 1 +29515 O O . TRP V 55 0.1863 0.7945 0.8754 -0.0980 0.0039 0.0119 56 TRP b O ? ? 1 +29516 N N . ARG V 56 0.1860 0.7911 0.8731 -0.0988 0.0103 0.0142 57 ARG b N ? ? 1 +29517 C CA . ARG V 56 0.1884 0.7848 0.8654 -0.0942 0.0096 0.0172 57 ARG b CA ? ? 1 +29518 C CB . ARG V 56 0.1962 0.7826 0.8651 -0.0952 0.0144 0.0190 57 ARG b CB ? ? 1 +29519 C CG . ARG V 56 0.2078 0.7839 0.8706 -0.1000 0.0179 0.0180 57 ARG b CG ? ? 1 +29520 C CD . ARG V 56 0.2124 0.7780 0.8652 -0.0975 0.0163 0.0192 57 ARG b CD ? ? 1 +29521 N NE . ARG V 56 0.2133 0.7723 0.8574 -0.0923 0.0161 0.0223 57 ARG b NE ? ? 1 +29522 C CZ . ARG V 56 0.2162 0.7684 0.8526 -0.0881 0.0137 0.0237 57 ARG b CZ ? ? 1 +29523 N NH1 . ARG V 56 0.2201 0.7676 0.8534 -0.0890 0.0126 0.0226 57 ARG b NH1 ? ? 1 +29524 N NH2 . ARG V 56 0.2150 0.7654 0.8468 -0.0828 0.0125 0.0262 57 ARG b NH2 ? ? 1 +29525 C C . ARG V 56 0.1795 0.7826 0.8591 -0.0887 0.0064 0.0189 57 ARG b C ? ? 1 +29526 O O . ARG V 56 0.1775 0.7760 0.8507 -0.0843 0.0046 0.0211 57 ARG b O ? ? 1 +29527 N N . GLN V 57 0.1712 0.7852 0.8605 -0.0892 0.0058 0.0178 58 GLN b N ? ? 1 +29528 C CA . GLN V 57 0.1636 0.7839 0.8560 -0.0848 0.0036 0.0193 58 GLN b CA ? ? 1 +29529 C CB . GLN V 57 0.1613 0.7866 0.8590 -0.0864 0.0066 0.0189 58 GLN b CB ? ? 1 +29530 C CG . GLN V 57 0.1696 0.7858 0.8599 -0.0878 0.0113 0.0203 58 GLN b CG ? ? 1 +29531 C CD . GLN V 57 0.1683 0.7895 0.8632 -0.0885 0.0140 0.0201 58 GLN b CD ? ? 1 +29532 O OE1 . GLN V 57 0.1601 0.7878 0.8591 -0.0852 0.0120 0.0207 58 GLN b OE1 ? ? 1 +29533 N NE2 . GLN V 57 0.1761 0.7944 0.8708 -0.0929 0.0189 0.0192 58 GLN b NE2 ? ? 1 +29534 C C . GLN V 57 0.1588 0.7881 0.8578 -0.0826 -0.0010 0.0183 58 GLN b C ? ? 1 +29535 O O . GLN V 57 0.1534 0.7890 0.8563 -0.0796 -0.0028 0.0191 58 GLN b O ? ? 1 +29536 N N . GLY V 58 0.1658 0.7950 0.8653 -0.0840 -0.0030 0.0167 59 GLY b N ? ? 1 +29537 C CA . GLY V 58 0.1628 0.7993 0.8672 -0.0819 -0.0075 0.0158 59 GLY b CA ? ? 1 +29538 C C . GLY V 58 0.1611 0.8088 0.8762 -0.0833 -0.0086 0.0136 59 GLY b C ? ? 1 +29539 O O . GLY V 58 0.1562 0.8104 0.8751 -0.0804 -0.0122 0.0135 59 GLY b O ? ? 1 +29540 N N . MET V 59 0.1665 0.8164 0.8862 -0.0877 -0.0055 0.0117 60 MET b N ? ? 1 +29541 C CA . MET V 59 0.1671 0.8281 0.8974 -0.0888 -0.0062 0.0096 60 MET b CA ? ? 1 +29542 C CB . MET V 59 0.1791 0.8411 0.9130 -0.0927 -0.0013 0.0086 60 MET b CB ? ? 1 +29543 C CG . MET V 59 0.1866 0.8447 0.9160 -0.0906 0.0016 0.0113 60 MET b CG ? ? 1 +29544 S SD . MET V 59 0.1913 0.8565 0.9240 -0.0847 -0.0017 0.0130 60 MET b SD ? ? 1 +29545 C CE . MET V 59 0.1885 0.8443 0.9113 -0.0818 0.0003 0.0165 60 MET b CE ? ? 1 +29546 C C . MET V 59 0.1648 0.8305 0.9000 -0.0910 -0.0093 0.0065 60 MET b C ? ? 1 +29547 O O . MET V 59 0.1737 0.8345 0.9064 -0.0947 -0.0082 0.0051 60 MET b O ? ? 1 +29548 N N . PHE V 60 0.1573 0.8319 0.8989 -0.0885 -0.0133 0.0055 61 PHE b N ? ? 1 +29549 C CA . PHE V 60 0.1582 0.8371 0.9035 -0.0896 -0.0170 0.0028 61 PHE b CA ? ? 1 +29550 C CB . PHE V 60 0.1579 0.8370 0.8998 -0.0845 -0.0215 0.0043 61 PHE b CB ? ? 1 +29551 C CG . PHE V 60 0.1617 0.8437 0.9052 -0.0849 -0.0258 0.0018 61 PHE b CG ? ? 1 +29552 C CD1 . PHE V 60 0.1686 0.8451 0.9086 -0.0884 -0.0255 0.0002 61 PHE b CD1 ? ? 1 +29553 C CD2 . PHE V 60 0.1583 0.8477 0.9061 -0.0816 -0.0301 0.0012 61 PHE b CD2 ? ? 1 +29554 C CE1 . PHE V 60 0.1713 0.8502 0.9125 -0.0887 -0.0296 -0.0023 61 PHE b CE1 ? ? 1 +29555 C CE2 . PHE V 60 0.1604 0.8520 0.9090 -0.0818 -0.0342 -0.0011 61 PHE b CE2 ? ? 1 +29556 C CZ . PHE V 60 0.1667 0.8532 0.9121 -0.0854 -0.0340 -0.0029 61 PHE b CZ ? ? 1 +29557 C C . PHE V 60 0.1533 0.8435 0.9101 -0.0919 -0.0179 -0.0005 61 PHE b C ? ? 1 +29558 O O . PHE V 60 0.1562 0.8486 0.9166 -0.0956 -0.0188 -0.0036 61 PHE b O ? ? 1 +29559 N N . VAL V 61 0.1470 0.8443 0.9095 -0.0894 -0.0179 -0.0001 62 VAL b N ? ? 1 +29560 C CA . VAL V 61 0.1457 0.8544 0.9196 -0.0908 -0.0187 -0.0031 62 VAL b CA ? ? 1 +29561 C CB . VAL V 61 0.1387 0.8548 0.9169 -0.0856 -0.0218 -0.0024 62 VAL b CB ? ? 1 +29562 C CG1 . VAL V 61 0.1383 0.8548 0.9137 -0.0818 -0.0274 -0.0020 62 VAL b CG1 ? ? 1 +29563 C CG2 . VAL V 61 0.1345 0.8468 0.9084 -0.0826 -0.0191 0.0010 62 VAL b CG2 ? ? 1 +29564 C C . VAL V 61 0.1480 0.8583 0.9267 -0.0952 -0.0133 -0.0043 62 VAL b C ? ? 1 +29565 O O . VAL V 61 0.1497 0.8681 0.9377 -0.0985 -0.0130 -0.0077 62 VAL b O ? ? 1 +29566 N N . LEU V 62 0.1487 0.8513 0.9209 -0.0953 -0.0089 -0.0016 63 LEU b N ? ? 1 +29567 C CA . LEU V 62 0.1515 0.8542 0.9266 -0.0992 -0.0033 -0.0023 63 LEU b CA ? ? 1 +29568 C CB . LEU V 62 0.1574 0.8493 0.9223 -0.0984 0.0006 0.0012 63 LEU b CB ? ? 1 +29569 C CG . LEU V 62 0.1597 0.8534 0.9268 -0.0984 0.0049 0.0019 63 LEU b CG ? ? 1 +29570 C CD1 . LEU V 62 0.1537 0.8546 0.9249 -0.0932 0.0020 0.0028 63 LEU b CD1 ? ? 1 +29571 C CD2 . LEU V 62 0.1673 0.8492 0.9235 -0.0982 0.0088 0.0050 63 LEU b CD2 ? ? 1 +29572 C C . LEU V 62 0.1536 0.8567 0.9324 -0.1057 -0.0012 -0.0056 63 LEU b C ? ? 1 +29573 O O . LEU V 62 0.1514 0.8616 0.9390 -0.1091 0.0014 -0.0081 63 LEU b O ? ? 1 +29574 N N . PRO V 63 0.1535 0.8486 0.9256 -0.1076 -0.0022 -0.0057 64 PRO b N ? ? 1 +29575 C CA . PRO V 63 0.1561 0.8508 0.9312 -0.1139 -0.0004 -0.0089 64 PRO b CA ? ? 1 +29576 C CB . PRO V 63 0.1611 0.8452 0.9260 -0.1137 -0.0024 -0.0078 64 PRO b CB ? ? 1 +29577 C CG . PRO V 63 0.1600 0.8380 0.9163 -0.1083 -0.0033 -0.0039 64 PRO b CG ? ? 1 +29578 C CD . PRO V 63 0.1530 0.8393 0.9145 -0.1039 -0.0048 -0.0029 64 PRO b CD ? ? 1 +29579 C C . PRO V 63 0.1496 0.8571 0.9372 -0.1158 -0.0036 -0.0132 64 PRO b C ? ? 1 +29580 O O . PRO V 63 0.1526 0.8635 0.9467 -0.1215 -0.0010 -0.0163 64 PRO b O ? ? 1 +29581 N N . PHE V 64 0.1388 0.8532 0.9296 -0.1110 -0.0093 -0.0133 65 PHE b N ? ? 1 +29582 C CA . PHE V 64 0.1331 0.8597 0.9351 -0.1118 -0.0132 -0.0174 65 PHE b CA ? ? 1 +29583 C CB . PHE V 64 0.1257 0.8551 0.9263 -0.1061 -0.0200 -0.0168 65 PHE b CB ? ? 1 +29584 C CG . PHE V 64 0.1298 0.8509 0.9220 -0.1066 -0.0226 -0.0167 65 PHE b CG ? ? 1 +29585 C CD1 . PHE V 64 0.1332 0.8567 0.9291 -0.1107 -0.0247 -0.0205 65 PHE b CD1 ? ? 1 +29586 C CD2 . PHE V 64 0.1303 0.8412 0.9109 -0.1030 -0.0228 -0.0129 65 PHE b CD2 ? ? 1 +29587 C CE1 . PHE V 64 0.1387 0.8540 0.9263 -0.1111 -0.0269 -0.0205 65 PHE b CE1 ? ? 1 +29588 C CE2 . PHE V 64 0.1343 0.8375 0.9071 -0.1033 -0.0250 -0.0128 65 PHE b CE2 ? ? 1 +29589 C CZ . PHE V 64 0.1391 0.8441 0.9150 -0.1073 -0.0270 -0.0166 65 PHE b CZ ? ? 1 +29590 C C . PHE V 64 0.1309 0.8686 0.9445 -0.1126 -0.0109 -0.0192 65 PHE b C ? ? 1 +29591 O O . PHE V 64 0.1306 0.8780 0.9550 -0.1160 -0.0118 -0.0233 65 PHE b O ? ? 1 +29592 N N . MET V 65 0.1265 0.8628 0.9377 -0.1094 -0.0083 -0.0162 66 MET b N ? ? 1 +29593 C CA . MET V 65 0.1244 0.8697 0.9451 -0.1098 -0.0052 -0.0174 66 MET b CA ? ? 1 +29594 C CB . MET V 65 0.1223 0.8651 0.9384 -0.1045 -0.0041 -0.0137 66 MET b CB ? ? 1 +29595 C CG . MET V 65 0.1169 0.8654 0.9347 -0.0981 -0.0101 -0.0130 66 MET b CG ? ? 1 +29596 S SD . MET V 65 0.1138 0.8604 0.9275 -0.0921 -0.0090 -0.0092 66 MET b SD ? ? 1 +29597 C CE . MET V 65 0.1170 0.8482 0.9157 -0.0917 -0.0072 -0.0050 66 MET b CE ? ? 1 +29598 C C . MET V 65 0.1286 0.8720 0.9517 -0.1168 0.0012 -0.0191 66 MET b C ? ? 1 +29599 O O . MET V 65 0.1291 0.8825 0.9637 -0.1202 0.0026 -0.0228 66 MET b O ? ? 1 +29600 N N . ALA V 66 0.1308 0.8612 0.9429 -0.1188 0.0052 -0.0165 67 ALA b N ? ? 1 +29601 C CA . ALA V 66 0.1358 0.8617 0.9477 -0.1254 0.0117 -0.0176 67 ALA b CA ? ? 1 +29602 C CB . ALA V 66 0.1429 0.8530 0.9403 -0.1257 0.0147 -0.0139 67 ALA b CB ? ? 1 +29603 C C . ALA V 66 0.1369 0.8671 0.9559 -0.1315 0.0112 -0.0220 67 ALA b C ? ? 1 +29604 O O . ALA V 66 0.1414 0.8759 0.9678 -0.1369 0.0158 -0.0246 67 ALA b O ? ? 1 +29605 N N . ARG V 67 0.1339 0.8626 0.9504 -0.1307 0.0057 -0.0228 68 ARG b N ? ? 1 +29606 C CA . ARG V 67 0.1375 0.8692 0.9595 -0.1363 0.0045 -0.0270 68 ARG b CA ? ? 1 +29607 C CB . ARG V 67 0.1346 0.8644 0.9524 -0.1336 -0.0024 -0.0273 68 ARG b CB ? ? 1 +29608 C CG . ARG V 67 0.1391 0.8701 0.9609 -0.1395 -0.0038 -0.0316 68 ARG b CG ? ? 1 +29609 C CD . ARG V 67 0.1390 0.8663 0.9549 -0.1372 -0.0101 -0.0320 68 ARG b CD ? ? 1 +29610 N NE . ARG V 67 0.1303 0.8659 0.9494 -0.1306 -0.0166 -0.0318 68 ARG b NE ? ? 1 +29611 C CZ . ARG V 67 0.1295 0.8646 0.9455 -0.1280 -0.0227 -0.0325 68 ARG b CZ ? ? 1 +29612 N NH1 . ARG V 67 0.1356 0.8621 0.9447 -0.1310 -0.0234 -0.0334 68 ARG b NH1 ? ? 1 +29613 N NH2 . ARG V 67 0.1241 0.8669 0.9433 -0.1222 -0.0281 -0.0324 68 ARG b NH2 ? ? 1 +29614 C C . ARG V 67 0.1361 0.8835 0.9744 -0.1390 0.0043 -0.0316 68 ARG b C ? ? 1 +29615 O O . ARG V 67 0.1408 0.8905 0.9851 -0.1457 0.0069 -0.0351 68 ARG b O ? ? 1 +29616 N N . LEU V 68 0.1302 0.8882 0.9755 -0.1337 0.0014 -0.0316 69 LEU b N ? ? 1 +29617 C CA . LEU V 68 0.1308 0.9048 0.9920 -0.1351 0.0003 -0.0360 69 LEU b CA ? ? 1 +29618 C CB . LEU V 68 0.1218 0.9047 0.9872 -0.1287 -0.0077 -0.0368 69 LEU b CB ? ? 1 +29619 C CG . LEU V 68 0.1218 0.9020 0.9830 -0.1280 -0.0141 -0.0378 69 LEU b CG ? ? 1 +29620 C CD1 . LEU V 68 0.1156 0.9054 0.9819 -0.1220 -0.0214 -0.0389 69 LEU b CD1 ? ? 1 +29621 C CD2 . LEU V 68 0.1279 0.9092 0.9939 -0.1354 -0.0134 -0.0420 69 LEU b CD2 ? ? 1 +29622 C C . LEU V 68 0.1342 0.9142 1.0024 -0.1358 0.0060 -0.0361 69 LEU b C ? ? 1 +29623 O O . LEU V 68 0.1310 0.9251 1.0127 -0.1358 0.0050 -0.0395 69 LEU b O ? ? 1 +29624 N N . GLY V 69 0.1425 0.9122 1.0016 -0.1361 0.0120 -0.0324 70 GLY b N ? ? 1 +29625 C CA . GLY V 69 0.1473 0.9209 1.0118 -0.1379 0.0186 -0.0326 70 GLY b CA ? ? 1 +29626 C C . GLY V 69 0.1498 0.9195 1.0080 -0.1322 0.0204 -0.0284 70 GLY b C ? ? 1 +29627 O O . GLY V 69 0.1546 0.9258 1.0155 -0.1336 0.0263 -0.0283 70 GLY b O ? ? 1 +29628 N N . VAL V 70 0.1485 0.9134 0.9985 -0.1259 0.0154 -0.0253 71 VAL b N ? ? 1 +29629 C CA . VAL V 70 0.1494 0.9110 0.9936 -0.1204 0.0165 -0.0216 71 VAL b CA ? ? 1 +29630 C CB . VAL V 70 0.1427 0.9077 0.9861 -0.1131 0.0092 -0.0202 71 VAL b CB ? ? 1 +29631 C CG1 . VAL V 70 0.1386 0.8971 0.9734 -0.1076 0.0100 -0.0159 71 VAL b CG1 ? ? 1 +29632 C CG2 . VAL V 70 0.1383 0.9190 0.9960 -0.1115 0.0055 -0.0241 71 VAL b CG2 ? ? 1 +29633 C C . VAL V 70 0.1598 0.9055 0.9895 -0.1213 0.0204 -0.0176 71 VAL b C ? ? 1 +29634 O O . VAL V 70 0.1617 0.8988 0.9817 -0.1192 0.0172 -0.0153 71 VAL b O ? ? 1 +29635 N N . THR V 71 0.1683 0.9103 0.9962 -0.1240 0.0275 -0.0169 72 THR b N ? ? 1 +29636 C CA . THR V 71 0.1767 0.9035 0.9909 -0.1253 0.0317 -0.0134 72 THR b CA ? ? 1 +29637 C CB . THR V 71 0.1865 0.9100 1.0017 -0.1328 0.0382 -0.0152 72 THR b CB ? ? 1 +29638 O OG1 . THR V 71 0.1863 0.9180 1.0102 -0.1343 0.0430 -0.0169 72 THR b OG1 ? ? 1 +29639 C CG2 . THR V 71 0.1906 0.9178 1.0119 -0.1376 0.0359 -0.0188 72 THR b CG2 ? ? 1 +29640 C C . THR V 71 0.1774 0.8993 0.9850 -0.1214 0.0347 -0.0101 72 THR b C ? ? 1 +29641 O O . THR V 71 0.1931 0.9025 0.9890 -0.1221 0.0381 -0.0073 72 THR b O ? ? 1 +29642 N N . GLY V 72 0.1699 0.9012 0.9844 -0.1173 0.0332 -0.0105 73 GLY b N ? ? 1 +29643 C CA . GLY V 72 0.1683 0.8966 0.9786 -0.1146 0.0371 -0.0082 73 GLY b CA ? ? 1 +29644 C C . GLY V 72 0.1573 0.8873 0.9655 -0.1073 0.0322 -0.0060 73 GLY b C ? ? 1 +29645 O O . GLY V 72 0.1498 0.8874 0.9639 -0.1043 0.0264 -0.0072 73 GLY b O ? ? 1 +29646 N N . SER V 73 0.1549 0.8771 0.9543 -0.1047 0.0348 -0.0030 74 SER b N ? ? 1 +29647 C CA . SER V 73 0.1458 0.8691 0.9431 -0.0983 0.0313 -0.0010 74 SER b CA ? ? 1 +29648 C CB . SER V 73 0.1454 0.8557 0.9286 -0.0957 0.0303 0.0029 74 SER b CB ? ? 1 +29649 O OG . SER V 73 0.1376 0.8485 0.9188 -0.0902 0.0283 0.0047 74 SER b OG ? ? 1 +29650 C C . SER V 73 0.1454 0.8737 0.9472 -0.0970 0.0352 -0.0017 74 SER b C ? ? 1 +29651 O O . SER V 73 0.1490 0.8743 0.9494 -0.1005 0.0416 -0.0020 74 SER b O ? ? 1 +29652 N N . TRP V 74 0.1419 0.8770 0.9482 -0.0919 0.0315 -0.0017 75 TRP b N ? ? 1 +29653 C CA . TRP V 74 0.1445 0.8829 0.9532 -0.0895 0.0346 -0.0018 75 TRP b CA ? ? 1 +29654 C CB . TRP V 74 0.1374 0.8824 0.9502 -0.0834 0.0292 -0.0018 75 TRP b CB ? ? 1 +29655 C CG . TRP V 74 0.1318 0.8898 0.9574 -0.0829 0.0257 -0.0050 75 TRP b CG ? ? 1 +29656 C CD1 . TRP V 74 0.1321 0.8991 0.9685 -0.0870 0.0277 -0.0086 75 TRP b CD1 ? ? 1 +29657 N NE1 . TRP V 74 0.1263 0.9043 0.9726 -0.0844 0.0226 -0.0110 75 TRP b NE1 ? ? 1 +29658 C CE2 . TRP V 74 0.1215 0.8971 0.9630 -0.0786 0.0174 -0.0088 75 TRP b CE2 ? ? 1 +29659 C CZ2 . TRP V 74 0.1173 0.9001 0.9641 -0.0742 0.0112 -0.0097 75 TRP b CZ2 ? ? 1 +29660 C CH2 . TRP V 74 0.1170 0.8942 0.9562 -0.0691 0.0073 -0.0068 75 TRP b CH2 ? ? 1 +29661 C CZ3 . TRP V 74 0.1175 0.8831 0.9449 -0.0684 0.0092 -0.0032 75 TRP b CZ3 ? ? 1 +29662 C CE3 . TRP V 74 0.1220 0.8807 0.9441 -0.0725 0.0149 -0.0024 75 TRP b CE3 ? ? 1 +29663 C CD2 . TRP V 74 0.1257 0.8890 0.9545 -0.0777 0.0192 -0.0051 75 TRP b CD2 ? ? 1 +29664 C C . TRP V 74 0.1522 0.8788 0.9486 -0.0887 0.0385 0.0013 75 TRP b C ? ? 1 +29665 O O . TRP V 74 0.1562 0.8837 0.9532 -0.0880 0.0426 0.0010 75 TRP b O ? ? 1 +29666 N N . SER V 75 0.1552 0.8707 0.9403 -0.0885 0.0370 0.0040 76 SER b N ? ? 1 +29667 C CA A SER V 75 0.1630 0.8671 0.9360 -0.0876 0.0401 0.0069 76 SER b CA ? ? 1 +29668 C CA B SER V 75 0.1613 0.8655 0.9344 -0.0876 0.0402 0.0068 76 SER b CA ? ? 1 +29669 C C . SER V 75 0.1715 0.8693 0.9404 -0.0928 0.0470 0.0066 76 SER b C ? ? 1 +29670 O O . SER V 75 0.1756 0.8636 0.9342 -0.0925 0.0502 0.0088 76 SER b O ? ? 1 +29671 C CB A SER V 75 0.1647 0.8600 0.9276 -0.0849 0.0356 0.0098 76 SER b CB ? ? 1 +29672 C CB B SER V 75 0.1607 0.8563 0.9238 -0.0848 0.0356 0.0098 76 SER b CB ? ? 1 +29673 O OG A SER V 75 0.1743 0.8589 0.9257 -0.0837 0.0380 0.0124 76 SER b OG ? ? 1 +29674 O OG B SER V 75 0.1620 0.8544 0.9234 -0.0877 0.0341 0.0097 76 SER b OG ? ? 1 +29675 N N . GLY V 76 0.1785 0.8817 0.9553 -0.0978 0.0492 0.0040 77 GLY b N ? ? 1 +29676 C CA . GLY V 76 0.1928 0.8919 0.9680 -0.1032 0.0565 0.0032 77 GLY b CA ? ? 1 +29677 C C . GLY V 76 0.2043 0.8942 0.9728 -0.1079 0.0580 0.0038 77 GLY b C ? ? 1 +29678 O O . GLY V 76 0.2115 0.8964 0.9773 -0.1126 0.0644 0.0034 77 GLY b O ? ? 1 +29679 N N . TRP V 77 0.2038 0.8911 0.9693 -0.1065 0.0524 0.0048 78 TRP b N ? ? 1 +29680 C CA . TRP V 77 0.2099 0.8885 0.9691 -0.1105 0.0532 0.0052 78 TRP b CA ? ? 1 +29681 C CB . TRP V 77 0.2042 0.8716 0.9506 -0.1067 0.0495 0.0087 78 TRP b CB ? ? 1 +29682 C CG . TRP V 77 0.1887 0.8612 0.9375 -0.1016 0.0422 0.0093 78 TRP b CG ? ? 1 +29683 C CD1 . TRP V 77 0.1820 0.8545 0.9279 -0.0961 0.0394 0.0112 78 TRP b CD1 ? ? 1 +29684 N NE1 . TRP V 77 0.1714 0.8484 0.9202 -0.0927 0.0330 0.0113 78 TRP b NE1 ? ? 1 +29685 C CE2 . TRP V 77 0.1698 0.8495 0.9229 -0.0958 0.0313 0.0096 78 TRP b CE2 ? ? 1 +29686 C CZ2 . TRP V 77 0.1614 0.8456 0.9181 -0.0941 0.0254 0.0090 78 TRP b CZ2 ? ? 1 +29687 C CH2 . TRP V 77 0.1647 0.8505 0.9251 -0.0980 0.0249 0.0069 78 TRP b CH2 ? ? 1 +29688 C CZ3 . TRP V 77 0.1724 0.8558 0.9336 -0.1039 0.0302 0.0053 78 TRP b CZ3 ? ? 1 +29689 C CE3 . TRP V 77 0.1792 0.8582 0.9370 -0.1057 0.0363 0.0060 78 TRP b CE3 ? ? 1 +29690 C CD2 . TRP V 77 0.1797 0.8568 0.9332 -0.1015 0.0369 0.0081 78 TRP b CD2 ? ? 1 +29691 C C . TRP V 77 0.2143 0.9012 0.9836 -0.1137 0.0504 0.0022 78 TRP b C ? ? 1 +29692 O O . TRP V 77 0.2034 0.9020 0.9831 -0.1116 0.0462 0.0003 78 TRP b O ? ? 1 +29693 N N . SER V 78 0.2339 0.9139 0.9993 -0.1186 0.0526 0.0018 79 SER b N ? ? 1 +29694 C CA . SER V 78 0.2418 0.9276 1.0149 -0.1221 0.0500 -0.0011 79 SER b CA ? ? 1 +29695 C CB . SER V 78 0.2431 0.9350 1.0257 -0.1288 0.0555 -0.0046 79 SER b CB ? ? 1 +29696 O OG . SER V 78 0.2548 0.9349 1.0290 -0.1340 0.0610 -0.0039 79 SER b OG ? ? 1 +29697 C C . SER V 78 0.2595 0.9332 1.0217 -0.1229 0.0483 0.0007 79 SER b C ? ? 1 +29698 O O . SER V 78 0.2683 0.9294 1.0181 -0.1224 0.0509 0.0036 79 SER b O ? ? 1 +29699 N N . ILE V 79 0.2756 0.9531 1.0422 -0.1240 0.0438 -0.0011 80 ILE b N ? ? 1 +29700 C CA . ILE V 79 0.3026 0.9692 1.0594 -0.1245 0.0418 0.0003 80 ILE b CA ? ? 1 +29701 C CB . ILE V 79 0.3155 0.9887 1.0781 -0.1237 0.0353 -0.0016 80 ILE b CB ? ? 1 +29702 C CG1 . ILE V 79 0.3304 1.0147 1.1063 -0.1289 0.0359 -0.0061 80 ILE b CG1 ? ? 1 +29703 C CG2 . ILE V 79 0.3096 0.9889 1.0741 -0.1169 0.0293 -0.0003 80 ILE b CG2 ? ? 1 +29704 C CD1 . ILE V 79 0.3409 1.0288 1.1203 -0.1291 0.0303 -0.0080 80 ILE b CD1 ? ? 1 +29705 C C . ILE V 79 0.3203 0.9769 1.0713 -0.1308 0.0477 -0.0001 80 ILE b C ? ? 1 +29706 O O . ILE V 79 0.3276 0.9729 1.0684 -0.1311 0.0470 0.0015 80 ILE b O ? ? 1 +29707 N N . THR V 80 0.3368 0.9975 1.0944 -0.1360 0.0535 -0.0023 81 THR b N ? ? 1 +29708 C CA . THR V 80 0.3592 1.0099 1.1111 -0.1423 0.0598 -0.0026 81 THR b CA ? ? 1 +29709 C CB . THR V 80 0.3461 1.0069 1.1113 -0.1489 0.0638 -0.0068 81 THR b CB ? ? 1 +29710 O OG1 . THR V 80 0.3443 1.0118 1.1148 -0.1480 0.0676 -0.0070 81 THR b OG1 ? ? 1 +29711 C CG2 . THR V 80 0.3361 1.0105 1.1145 -0.1495 0.0582 -0.0105 81 THR b CG2 ? ? 1 +29712 C C . THR V 80 0.3952 1.0333 1.1344 -0.1413 0.0652 0.0008 81 THR b C ? ? 1 +29713 O O . THR V 80 0.4184 1.0456 1.1501 -0.1459 0.0707 0.0013 81 THR b O ? ? 1 +29714 N N . GLY V 81 0.4229 1.0621 1.1594 -0.1353 0.0637 0.0032 82 GLY b N ? ? 1 +29715 C CA . GLY V 81 0.4557 1.0829 1.1793 -0.1335 0.0678 0.0065 82 GLY b CA ? ? 1 +29716 C C . GLY V 81 0.4824 1.1141 1.2100 -0.1343 0.0734 0.0060 82 GLY b C ? ? 1 +29717 O O . GLY V 81 0.5024 1.1249 1.2196 -0.1324 0.0767 0.0086 82 GLY b O ? ? 1 +29718 N N . GLU V 82 0.5036 1.1495 1.2462 -0.1369 0.0743 0.0026 83 GLU b N ? ? 1 +29719 C CA . GLU V 82 0.5217 1.1729 1.2693 -0.1379 0.0799 0.0017 83 GLU b CA ? ? 1 +29720 C CB . GLU V 82 0.5182 1.1844 1.2829 -0.1426 0.0816 -0.0028 83 GLU b CB ? ? 1 +29721 C CG . GLU V 82 0.5465 1.2118 1.3145 -0.1491 0.0823 -0.0052 83 GLU b CG ? ? 1 +29722 C CD . GLU V 82 0.5748 1.2561 1.3606 -0.1536 0.0831 -0.0100 83 GLU b CD ? ? 1 +29723 O OE1 . GLU V 82 0.5828 1.2777 1.3796 -0.1499 0.0778 -0.0117 83 GLU b OE1 ? ? 1 +29724 O OE2 . GLU V 82 0.6207 1.3006 1.4092 -0.1608 0.0890 -0.0121 83 GLU b OE2 ? ? 1 +29725 C C . GLU V 82 0.5230 1.1782 1.2700 -0.1308 0.0766 0.0034 83 GLU b C ? ? 1 +29726 O O . GLU V 82 0.5111 1.1707 1.2601 -0.1260 0.0695 0.0040 83 GLU b O ? ? 1 +29727 N N . THR V 83 0.5356 1.1886 1.2794 -0.1302 0.0819 0.0043 84 THR b N ? ? 1 +29728 C CA . THR V 83 0.5296 1.1863 1.2732 -0.1240 0.0797 0.0056 84 THR b CA ? ? 1 +29729 C CB . THR V 83 0.5407 1.1826 1.2677 -0.1207 0.0811 0.0095 84 THR b CB ? ? 1 +29730 O OG1 . THR V 83 0.5726 1.2043 1.2918 -0.1255 0.0888 0.0099 84 THR b OG1 ? ? 1 +29731 C CG2 . THR V 83 0.5469 1.1804 1.2643 -0.1173 0.0752 0.0120 84 THR b CG2 ? ? 1 +29732 C C . THR V 83 0.5409 1.2086 1.2955 -0.1253 0.0842 0.0031 84 THR b C ? ? 1 +29733 O O . THR V 83 0.5197 1.1888 1.2787 -0.1311 0.0907 0.0011 84 THR b O ? ? 1 +29734 N N . GLY V 84 0.5471 1.2225 1.3063 -0.1198 0.0808 0.0032 85 GLY b N ? ? 1 +29735 C CA . GLY V 84 0.5442 1.2297 1.3130 -0.1197 0.0846 0.0010 85 GLY b CA ? ? 1 +29736 C C . GLY V 84 0.5383 1.2396 1.3247 -0.1228 0.0842 -0.0033 85 GLY b C ? ? 1 +29737 O O . GLY V 84 0.5628 1.2722 1.3578 -0.1244 0.0890 -0.0055 85 GLY b O ? ? 1 +29738 N N . ILE V 85 0.5419 1.2475 1.3335 -0.1236 0.0786 -0.0044 86 ILE b N ? ? 1 +29739 C CA . ILE V 85 0.5345 1.2547 1.3424 -0.1267 0.0775 -0.0086 86 ILE b CA ? ? 1 +29740 C CB . ILE V 85 0.5486 1.2675 1.3577 -0.1308 0.0745 -0.0098 86 ILE b CB ? ? 1 +29741 C CG1 . ILE V 85 0.5423 1.2570 1.3451 -0.1262 0.0662 -0.0076 86 ILE b CG1 ? ? 1 +29742 C CG2 . ILE V 85 0.5720 1.2787 1.3724 -0.1371 0.0812 -0.0090 86 ILE b CG2 ? ? 1 +29743 C CD1 . ILE V 85 0.5290 1.2551 1.3400 -0.1204 0.0589 -0.0084 86 ILE b CD1 ? ? 1 +29744 C C . ILE V 85 0.4981 1.2308 1.3154 -0.1207 0.0714 -0.0097 86 ILE b C ? ? 1 +29745 O O . ILE V 85 0.5190 1.2475 1.3293 -0.1149 0.0670 -0.0070 86 ILE b O ? ? 1 +29746 N N . ASP V 86 0.4348 1.1823 1.2679 -0.1224 0.0713 -0.0138 87 ASP b N ? ? 1 +29747 C CA . ASP V 86 0.3955 1.1555 1.2385 -0.1171 0.0653 -0.0153 87 ASP b CA ? ? 1 +29748 C CB . ASP V 86 0.4098 1.1804 1.2630 -0.1162 0.0695 -0.0176 87 ASP b CB ? ? 1 +29749 C CG . ASP V 86 0.4141 1.1954 1.2751 -0.1095 0.0635 -0.0185 87 ASP b CG ? ? 1 +29750 O OD1 . ASP V 86 0.4387 1.2175 1.2953 -0.1053 0.0564 -0.0167 87 ASP b OD1 ? ? 1 +29751 O OD2 . ASP V 86 0.4272 1.2189 1.2984 -0.1085 0.0660 -0.0210 87 ASP b OD2 ? ? 1 +29752 C C . ASP V 86 0.3492 1.1187 1.2025 -0.1187 0.0597 -0.0182 87 ASP b C ? ? 1 +29753 O O . ASP V 86 0.3382 1.1167 1.2028 -0.1236 0.0622 -0.0220 87 ASP b O ? ? 1 +29754 N N . PRO V 87 0.3059 1.0735 1.1553 -0.1146 0.0521 -0.0167 88 PRO b N ? ? 1 +29755 C CA . PRO V 87 0.2796 1.0548 1.1371 -0.1157 0.0463 -0.0193 88 PRO b CA ? ? 1 +29756 C CB . PRO V 87 0.2826 1.0479 1.1283 -0.1121 0.0405 -0.0159 88 PRO b CB ? ? 1 +29757 C CG . PRO V 87 0.2893 1.0486 1.1266 -0.1066 0.0408 -0.0124 88 PRO b CG ? ? 1 +29758 C CD . PRO V 87 0.2996 1.0572 1.1364 -0.1090 0.0487 -0.0125 88 PRO b CD ? ? 1 +29759 C C . PRO V 87 0.2430 1.0343 1.1149 -0.1124 0.0420 -0.0226 88 PRO b C ? ? 1 +29760 O O . PRO V 87 0.2355 1.0340 1.1145 -0.1130 0.0370 -0.0250 88 PRO b O ? ? 1 +29761 N N . GLY V 88 0.2151 1.0117 1.0907 -0.1086 0.0439 -0.0226 89 GLY b N ? ? 1 +29762 C CA . GLY V 88 0.1928 1.0024 1.0792 -0.1036 0.0389 -0.0248 89 GLY b CA ? ? 1 +29763 C C . GLY V 88 0.1810 0.9877 1.0616 -0.0972 0.0310 -0.0224 89 GLY b C ? ? 1 +29764 O O . GLY V 88 0.1888 0.9832 1.0562 -0.0954 0.0301 -0.0185 89 GLY b O ? ? 1 +29765 N N . PHE V 89 0.1618 0.9800 1.0522 -0.0936 0.0253 -0.0249 90 PHE b N ? ? 1 +29766 C CA . PHE V 89 0.1482 0.9645 1.0339 -0.0876 0.0179 -0.0229 90 PHE b CA ? ? 1 +29767 C CB . PHE V 89 0.1479 0.9782 1.0458 -0.0833 0.0126 -0.0261 90 PHE b CB ? ? 1 +29768 C CG . PHE V 89 0.1526 0.9795 1.0442 -0.0771 0.0054 -0.0238 90 PHE b CG ? ? 1 +29769 C CD1 . PHE V 89 0.1577 0.9774 1.0406 -0.0721 0.0052 -0.0203 90 PHE b CD1 ? ? 1 +29770 C CD2 . PHE V 89 0.1574 0.9868 1.0504 -0.0768 -0.0010 -0.0249 90 PHE b CD2 ? ? 1 +29771 C CE1 . PHE V 89 0.1573 0.9729 1.0337 -0.0669 -0.0009 -0.0180 90 PHE b CE1 ? ? 1 +29772 C CE2 . PHE V 89 0.1598 0.9845 1.0455 -0.0713 -0.0071 -0.0224 90 PHE b CE2 ? ? 1 +29773 C CZ . PHE V 89 0.1568 0.9748 1.0346 -0.0666 -0.0069 -0.0190 90 PHE b CZ ? ? 1 +29774 C C . PHE V 89 0.1365 0.9448 1.0144 -0.0895 0.0141 -0.0215 90 PHE b C ? ? 1 +29775 O O . PHE V 89 0.1277 0.9267 0.9947 -0.0861 0.0111 -0.0180 90 PHE b O ? ? 1 +29776 N N . TRP V 90 0.1244 0.9362 1.0078 -0.0952 0.0146 -0.0243 91 TRP b N ? ? 1 +29777 C CA . TRP V 90 0.1169 0.9225 0.9942 -0.0970 0.0107 -0.0237 91 TRP b CA ? ? 1 +29778 C CB . TRP V 90 0.1142 0.9295 1.0026 -0.1014 0.0090 -0.0282 91 TRP b CB ? ? 1 +29779 C CG . TRP V 90 0.1081 0.9375 1.0085 -0.0975 0.0037 -0.0314 91 TRP b CG ? ? 1 +29780 C CD1 . TRP V 90 0.1052 0.9485 1.0204 -0.0993 0.0051 -0.0359 91 TRP b CD1 ? ? 1 +29781 N NE1 . TRP V 90 0.0992 0.9527 1.0218 -0.0939 -0.0014 -0.0378 91 TRP b NE1 ? ? 1 +29782 C CE2 . TRP V 90 0.0972 0.9431 1.0095 -0.0888 -0.0070 -0.0345 91 TRP b CE2 ? ? 1 +29783 C CZ2 . TRP V 90 0.0938 0.9443 1.0073 -0.0824 -0.0142 -0.0347 91 TRP b CZ2 ? ? 1 +29784 C CH2 . TRP V 90 0.0944 0.9345 0.9955 -0.0785 -0.0180 -0.0308 91 TRP b CH2 ? ? 1 +29785 C CZ3 . TRP V 90 0.0963 0.9225 0.9846 -0.0807 -0.0150 -0.0270 91 TRP b CZ3 ? ? 1 +29786 C CE3 . TRP V 90 0.1003 0.9219 0.9872 -0.0867 -0.0081 -0.0268 91 TRP b CE3 ? ? 1 +29787 C CD2 . TRP V 90 0.1015 0.9327 1.0002 -0.0909 -0.0038 -0.0306 91 TRP b CD2 ? ? 1 +29788 C C . TRP V 90 0.1158 0.9066 0.9801 -0.1003 0.0147 -0.0204 91 TRP b C ? ? 1 +29789 O O . TRP V 90 0.1215 0.9092 0.9852 -0.1062 0.0170 -0.0216 91 TRP b O ? ? 1 +29790 N N . SER V 91 0.1069 0.8889 0.9609 -0.0964 0.0154 -0.0165 92 SER b N ? ? 1 +29791 C CA . SER V 91 0.1059 0.8734 0.9460 -0.0974 0.0172 -0.0128 92 SER b CA ? ? 1 +29792 C CB . SER V 91 0.1044 0.8655 0.9372 -0.0944 0.0206 -0.0097 92 SER b CB ? ? 1 +29793 O OG . SER V 91 0.0971 0.8605 0.9293 -0.0879 0.0158 -0.0083 92 SER b OG ? ? 1 +29794 C C . SER V 91 0.1011 0.8640 0.9346 -0.0941 0.0106 -0.0110 92 SER b C ? ? 1 +29795 O O . SER V 91 0.0950 0.8652 0.9337 -0.0905 0.0051 -0.0121 92 SER b O ? ? 1 +29796 N N . PHE V 92 0.1027 0.8533 0.9244 -0.0950 0.0114 -0.0081 93 PHE b N ? ? 1 +29797 C CA . PHE V 92 0.0983 0.8434 0.9126 -0.0915 0.0060 -0.0058 93 PHE b CA ? ? 1 +29798 C CB . PHE V 92 0.1035 0.8348 0.9046 -0.0923 0.0082 -0.0025 93 PHE b CB ? ? 1 +29799 C CG . PHE V 92 0.1110 0.8370 0.9099 -0.0984 0.0116 -0.0036 93 PHE b CG ? ? 1 +29800 C CD1 . PHE V 92 0.1126 0.8408 0.9145 -0.1010 0.0086 -0.0058 93 PHE b CD1 ? ? 1 +29801 C CD2 . PHE V 92 0.1171 0.8353 0.9104 -0.1015 0.0178 -0.0024 93 PHE b CD2 ? ? 1 +29802 C CE1 . PHE V 92 0.1196 0.8425 0.9194 -0.1068 0.0119 -0.0070 93 PHE b CE1 ? ? 1 +29803 C CE2 . PHE V 92 0.1245 0.8372 0.9154 -0.1072 0.0211 -0.0034 93 PHE b CE2 ? ? 1 +29804 C CZ . PHE V 92 0.1258 0.8409 0.9202 -0.1100 0.0182 -0.0058 93 PHE b CZ ? ? 1 +29805 C C . PHE V 92 0.0897 0.8388 0.9049 -0.0850 0.0020 -0.0046 93 PHE b C ? ? 1 +29806 O O . PHE V 92 0.0848 0.8375 0.9017 -0.0822 -0.0036 -0.0051 93 PHE b O ? ? 1 +29807 N N . GLU V 93 0.0884 0.8365 0.9022 -0.0828 0.0049 -0.0031 94 GLU b N ? ? 1 +29808 C CA . GLU V 93 0.0848 0.8360 0.8993 -0.0770 0.0019 -0.0020 94 GLU b CA ? ? 1 +29809 C CB . GLU V 93 0.0880 0.8364 0.8998 -0.0757 0.0063 -0.0005 94 GLU b CB ? ? 1 +29810 C CG . GLU V 93 0.0937 0.8297 0.8937 -0.0768 0.0094 0.0026 94 GLU b CG ? ? 1 +29811 C CD . GLU V 93 0.1006 0.8328 0.8992 -0.0823 0.0152 0.0019 94 GLU b CD ? ? 1 +29812 O OE1 . GLU V 93 0.1002 0.8398 0.9078 -0.0858 0.0177 -0.0012 94 GLU b OE1 ? ? 1 +29813 O OE2 . GLU V 93 0.1047 0.8262 0.8930 -0.0832 0.0174 0.0044 94 GLU b OE2 ? ? 1 +29814 C C . GLU V 93 0.0812 0.8448 0.9071 -0.0750 -0.0016 -0.0050 94 GLU b C ? ? 1 +29815 O O . GLU V 93 0.0759 0.8415 0.9015 -0.0705 -0.0067 -0.0044 94 GLU b O ? ? 1 +29816 N N . GLY V 94 0.0827 0.8547 0.9184 -0.0782 0.0015 -0.0083 95 GLY b N ? ? 1 +29817 C CA . GLY V 94 0.0808 0.8655 0.9284 -0.0763 -0.0017 -0.0116 95 GLY b CA ? ? 1 +29818 C C . GLY V 94 0.0808 0.8683 0.9300 -0.0757 -0.0080 -0.0128 95 GLY b C ? ? 1 +29819 O O . GLY V 94 0.0781 0.8708 0.9302 -0.0710 -0.0130 -0.0133 95 GLY b O ? ? 1 +29820 N N . VAL V 95 0.0867 0.8701 0.9332 -0.0804 -0.0076 -0.0134 96 VAL b N ? ? 1 +29821 C CA . VAL V 95 0.0900 0.8741 0.9360 -0.0802 -0.0132 -0.0143 96 VAL b CA ? ? 1 +29822 C CB . VAL V 95 0.0960 0.8740 0.9384 -0.0863 -0.0111 -0.0149 96 VAL b CB ? ? 1 +29823 C CG1 . VAL V 95 0.0972 0.8744 0.9373 -0.0858 -0.0169 -0.0156 96 VAL b CG1 ? ? 1 +29824 C CG2 . VAL V 95 0.1003 0.8846 0.9519 -0.0922 -0.0067 -0.0184 96 VAL b CG2 ? ? 1 +29825 C C . VAL V 95 0.0905 0.8686 0.9278 -0.0747 -0.0179 -0.0111 96 VAL b C ? ? 1 +29826 O O . VAL V 95 0.0889 0.8717 0.9287 -0.0716 -0.0235 -0.0122 96 VAL b O ? ? 1 +29827 N N . ALA V 96 0.0927 0.8604 0.9196 -0.0736 -0.0157 -0.0073 97 ALA b N ? ? 1 +29828 C CA . ALA V 96 0.0942 0.8563 0.9131 -0.0688 -0.0196 -0.0043 97 ALA b CA ? ? 1 +29829 C CB . ALA V 96 0.0957 0.8466 0.9039 -0.0686 -0.0165 -0.0006 97 ALA b CB ? ? 1 +29830 C C . ALA V 96 0.0953 0.8636 0.9183 -0.0633 -0.0227 -0.0044 97 ALA b C ? ? 1 +29831 O O . ALA V 96 0.0897 0.8592 0.9118 -0.0598 -0.0278 -0.0043 97 ALA b O ? ? 1 +29832 N N . LEU V 97 0.1052 0.8770 0.9325 -0.0625 -0.0193 -0.0047 98 LEU b N ? ? 1 +29833 C CA . LEU V 97 0.1145 0.8922 0.9460 -0.0573 -0.0216 -0.0050 98 LEU b CA ? ? 1 +29834 C CB . LEU V 97 0.1302 0.9112 0.9664 -0.0576 -0.0166 -0.0057 98 LEU b CB ? ? 1 +29835 C CG . LEU V 97 0.1380 0.9253 0.9793 -0.0522 -0.0183 -0.0064 98 LEU b CG ? ? 1 +29836 C CD1 . LEU V 97 0.1434 0.9228 0.9755 -0.0475 -0.0202 -0.0028 98 LEU b CD1 ? ? 1 +29837 C CD2 . LEU V 97 0.1412 0.9341 0.9895 -0.0535 -0.0131 -0.0081 98 LEU b CD2 ? ? 1 +29838 C C . LEU V 97 0.1067 0.8946 0.9471 -0.0557 -0.0265 -0.0083 98 LEU b C ? ? 1 +29839 O O . LEU V 97 0.1060 0.8952 0.9455 -0.0506 -0.0309 -0.0077 98 LEU b O ? ? 1 +29840 N N . ALA V 98 0.0991 0.8940 0.9478 -0.0599 -0.0257 -0.0118 99 ALA b N ? ? 1 +29841 C CA . ALA V 98 0.0966 0.9020 0.9543 -0.0585 -0.0305 -0.0153 99 ALA b CA ? ? 1 +29842 C CB . ALA V 98 0.0975 0.9110 0.9654 -0.0641 -0.0284 -0.0194 99 ALA b CB ? ? 1 +29843 C C . ALA V 98 0.0931 0.8949 0.9449 -0.0562 -0.0365 -0.0144 99 ALA b C ? ? 1 +29844 O O . ALA V 98 0.0927 0.8999 0.9475 -0.0519 -0.0417 -0.0156 99 ALA b O ? ? 1 +29845 N N . HIS V 99 0.0902 0.8824 0.9330 -0.0589 -0.0358 -0.0123 100 HIS b N ? ? 1 +29846 C CA . HIS V 99 0.0874 0.8750 0.9233 -0.0569 -0.0409 -0.0113 100 HIS b CA ? ? 1 +29847 C CB . HIS V 99 0.0869 0.8653 0.9148 -0.0610 -0.0391 -0.0098 100 HIS b CB ? ? 1 +29848 C CG . HIS V 99 0.0860 0.8686 0.9198 -0.0665 -0.0387 -0.0134 100 HIS b CG ? ? 1 +29849 N ND1 . HIS V 99 0.0846 0.8691 0.9234 -0.0715 -0.0334 -0.0148 100 HIS b ND1 ? ? 1 +29850 C CE1 . HIS V 99 0.0870 0.8747 0.9301 -0.0759 -0.0343 -0.0180 100 HIS b CE1 ? ? 1 +29851 N NE2 . HIS V 99 0.0879 0.8758 0.9288 -0.0737 -0.0402 -0.0187 100 HIS b NE2 ? ? 1 +29852 C CD2 . HIS V 99 0.0865 0.8709 0.9212 -0.0677 -0.0428 -0.0157 100 HIS b CD2 ? ? 1 +29853 C C . HIS V 99 0.0839 0.8672 0.9133 -0.0507 -0.0435 -0.0081 100 HIS b C ? ? 1 +29854 O O . HIS V 99 0.0826 0.8669 0.9105 -0.0472 -0.0487 -0.0083 100 HIS b O ? ? 1 +29855 N N . ILE V 100 0.0841 0.8628 0.9098 -0.0495 -0.0398 -0.0054 101 ILE b N ? ? 1 +29856 C CA . ILE V 100 0.0837 0.8576 0.9029 -0.0442 -0.0417 -0.0024 101 ILE b CA ? ? 1 +29857 C CB . ILE V 100 0.0852 0.8522 0.8991 -0.0444 -0.0370 0.0005 101 ILE b CB ? ? 1 +29858 C CG1 . ILE V 100 0.0895 0.8478 0.8958 -0.0483 -0.0344 0.0024 101 ILE b CG1 ? ? 1 +29859 C CG2 . ILE V 100 0.0839 0.8467 0.8922 -0.0391 -0.0388 0.0032 101 ILE b CG2 ? ? 1 +29860 C CD1 . ILE V 100 0.0922 0.8440 0.8905 -0.0468 -0.0374 0.0045 101 ILE b CD1 ? ? 1 +29861 C C . ILE V 100 0.0807 0.8625 0.9064 -0.0394 -0.0450 -0.0041 101 ILE b C ? ? 1 +29862 O O . ILE V 100 0.0808 0.8606 0.9023 -0.0349 -0.0492 -0.0029 101 ILE b O ? ? 1 +29863 N N . VAL V 101 0.0777 0.8683 0.9133 -0.0403 -0.0430 -0.0069 102 VAL b N ? ? 1 +29864 C CA . VAL V 101 0.0747 0.8736 0.9172 -0.0356 -0.0461 -0.0088 102 VAL b CA ? ? 1 +29865 C CB . VAL V 101 0.0750 0.8828 0.9281 -0.0369 -0.0423 -0.0115 102 VAL b CB ? ? 1 +29866 C CG1 . VAL V 101 0.0748 0.8921 0.9359 -0.0317 -0.0458 -0.0138 102 VAL b CG1 ? ? 1 +29867 C CG2 . VAL V 101 0.0747 0.8762 0.9234 -0.0377 -0.0365 -0.0089 102 VAL b CG2 ? ? 1 +29868 C C . VAL V 101 0.0725 0.8762 0.9175 -0.0342 -0.0522 -0.0110 102 VAL b C ? ? 1 +29869 O O . VAL V 101 0.0742 0.8778 0.9168 -0.0288 -0.0567 -0.0104 102 VAL b O ? ? 1 +29870 N N . LEU V 102 0.0703 0.8771 0.9190 -0.0389 -0.0524 -0.0134 103 LEU b N ? ? 1 +29871 C CA . LEU V 102 0.0710 0.8822 0.9218 -0.0380 -0.0583 -0.0159 103 LEU b CA ? ? 1 +29872 C CB . LEU V 102 0.0716 0.8847 0.9257 -0.0444 -0.0572 -0.0184 103 LEU b CB ? ? 1 +29873 C CG . LEU V 102 0.0754 0.8922 0.9309 -0.0441 -0.0633 -0.0210 103 LEU b CG ? ? 1 +29874 C CD1 . LEU V 102 0.0759 0.9062 0.9436 -0.0415 -0.0671 -0.0253 103 LEU b CD1 ? ? 1 +29875 C CD2 . LEU V 102 0.0774 0.8921 0.9326 -0.0507 -0.0617 -0.0225 103 LEU b CD2 ? ? 1 +29876 C C . LEU V 102 0.0717 0.8741 0.9111 -0.0341 -0.0624 -0.0129 103 LEU b C ? ? 1 +29877 O O . LEU V 102 0.0730 0.8782 0.9124 -0.0296 -0.0678 -0.0137 103 LEU b O ? ? 1 +29878 N N . SER V 103 0.0703 0.8621 0.8999 -0.0359 -0.0596 -0.0094 104 SER b N ? ? 1 +29879 C CA . SER V 103 0.0717 0.8547 0.8903 -0.0327 -0.0625 -0.0063 104 SER b CA ? ? 1 +29880 C CB . SER V 103 0.0696 0.8421 0.8794 -0.0352 -0.0582 -0.0027 104 SER b CB ? ? 1 +29881 O OG . SER V 103 0.0711 0.8358 0.8711 -0.0317 -0.0606 0.0002 104 SER b OG ? ? 1 +29882 C C . SER V 103 0.0732 0.8561 0.8899 -0.0262 -0.0652 -0.0049 104 SER b C ? ? 1 +29883 O O . SER V 103 0.0760 0.8576 0.8887 -0.0225 -0.0701 -0.0047 104 SER b O ? ? 1 +29884 N N . GLY V 104 0.0724 0.8561 0.8915 -0.0247 -0.0621 -0.0040 105 GLY b N ? ? 1 +29885 C CA . GLY V 104 0.0748 0.8575 0.8918 -0.0187 -0.0641 -0.0026 105 GLY b CA ? ? 1 +29886 C C . GLY V 104 0.0800 0.8712 0.9032 -0.0144 -0.0694 -0.0055 105 GLY b C ? ? 1 +29887 O O . GLY V 104 0.0833 0.8712 0.9009 -0.0093 -0.0735 -0.0042 105 GLY b O ? ? 1 +29888 N N . LEU V 105 0.0803 0.8824 0.9150 -0.0165 -0.0693 -0.0095 106 LEU b N ? ? 1 +29889 C CA . LEU V 105 0.0838 0.8956 0.9261 -0.0128 -0.0744 -0.0129 106 LEU b CA ? ? 1 +29890 C CB . LEU V 105 0.0843 0.9084 0.9405 -0.0167 -0.0726 -0.0173 106 LEU b CB ? ? 1 +29891 C CG . LEU V 105 0.0830 0.9109 0.9456 -0.0173 -0.0671 -0.0176 106 LEU b CG ? ? 1 +29892 C CD1 . LEU V 105 0.0818 0.9223 0.9583 -0.0210 -0.0656 -0.0222 106 LEU b CD1 ? ? 1 +29893 C CD2 . LEU V 105 0.0859 0.9146 0.9483 -0.0103 -0.0688 -0.0168 106 LEU b CD2 ? ? 1 +29894 C C . LEU V 105 0.0886 0.8987 0.9261 -0.0114 -0.0803 -0.0135 106 LEU b C ? ? 1 +29895 O O . LEU V 105 0.0933 0.9048 0.9295 -0.0057 -0.0855 -0.0139 106 LEU b O ? ? 1 +29896 N N . LEU V 106 0.0893 0.8959 0.9237 -0.0165 -0.0796 -0.0135 107 LEU b N ? ? 1 +29897 C CA . LEU V 106 0.0954 0.8994 0.9241 -0.0156 -0.0848 -0.0140 107 LEU b CA ? ? 1 +29898 C CB . LEU V 106 0.0941 0.8947 0.9207 -0.0219 -0.0827 -0.0143 107 LEU b CB ? ? 1 +29899 C CG . LEU V 106 0.0924 0.9026 0.9305 -0.0274 -0.0814 -0.0186 107 LEU b CG ? ? 1 +29900 C CD1 . LEU V 106 0.0920 0.8969 0.9262 -0.0334 -0.0792 -0.0185 107 LEU b CD1 ? ? 1 +29901 C CD2 . LEU V 106 0.0954 0.9162 0.9417 -0.0253 -0.0875 -0.0230 107 LEU b CD2 ? ? 1 +29902 C C . LEU V 106 0.1020 0.8955 0.9181 -0.0106 -0.0869 -0.0100 107 LEU b C ? ? 1 +29903 O O . LEU V 106 0.1071 0.9002 0.9194 -0.0067 -0.0925 -0.0106 107 LEU b O ? ? 1 +29904 N N . PHE V 107 0.1034 0.8886 0.9130 -0.0109 -0.0825 -0.0062 108 PHE b N ? ? 1 +29905 C CA . PHE V 107 0.1106 0.8856 0.9085 -0.0068 -0.0835 -0.0023 108 PHE b CA ? ? 1 +29906 C CB . PHE V 107 0.1104 0.8774 0.9031 -0.0088 -0.0778 0.0013 108 PHE b CB ? ? 1 +29907 C CG . PHE V 107 0.1185 0.8761 0.9010 -0.0048 -0.0780 0.0052 108 PHE b CG ? ? 1 +29908 C CD2 . PHE V 107 0.1251 0.8733 0.8976 -0.0059 -0.0774 0.0080 108 PHE b CD2 ? ? 1 +29909 C CD1 . PHE V 107 0.1241 0.8817 0.9070 -0.0002 -0.0784 0.0060 108 PHE b CD1 ? ? 1 +29910 C CE2 . PHE V 107 0.1298 0.8692 0.8931 -0.0026 -0.0771 0.0115 108 PHE b CE2 ? ? 1 +29911 C CE1 . PHE V 107 0.1294 0.8774 0.9025 0.0031 -0.0782 0.0096 108 PHE b CE1 ? ? 1 +29912 C CZ . PHE V 107 0.1315 0.8707 0.8950 0.0017 -0.0775 0.0123 108 PHE b CZ ? ? 1 +29913 C C . PHE V 107 0.1121 0.8896 0.9106 0.0000 -0.0875 -0.0026 108 PHE b C ? ? 1 +29914 O O . PHE V 107 0.1159 0.8885 0.9068 0.0041 -0.0916 -0.0015 108 PHE b O ? ? 1 +29915 N N . LEU V 108 0.1091 0.8937 0.9164 0.0012 -0.0861 -0.0041 109 LEU b N ? ? 1 +29916 C CA . LEU V 108 0.1141 0.9014 0.9225 0.0080 -0.0898 -0.0047 109 LEU b CA ? ? 1 +29917 C CB . LEU V 108 0.1158 0.9108 0.9342 0.0086 -0.0869 -0.0063 109 LEU b CB ? ? 1 +29918 C CG . LEU V 108 0.1172 0.9052 0.9317 0.0073 -0.0810 -0.0030 109 LEU b CG ? ? 1 +29919 C CD1 . LEU V 108 0.1179 0.9138 0.9422 0.0083 -0.0784 -0.0050 109 LEU b CD1 ? ? 1 +29920 C CD2 . LEU V 108 0.1213 0.8979 0.9239 0.0116 -0.0817 0.0010 109 LEU b CD2 ? ? 1 +29921 C C . LEU V 108 0.1116 0.9052 0.9228 0.0111 -0.0966 -0.0078 109 LEU b C ? ? 1 +29922 O O . LEU V 108 0.1140 0.9043 0.9194 0.0171 -0.1009 -0.0069 109 LEU b O ? ? 1 +29923 N N . ALA V 109 0.1063 0.9083 0.9257 0.0070 -0.0975 -0.0115 110 ALA b N ? ? 1 +29924 C CA . ALA V 109 0.1088 0.9177 0.9317 0.0092 -0.1041 -0.0150 110 ALA b CA ? ? 1 +29925 C CB . ALA V 109 0.1051 0.9244 0.9395 0.0034 -0.1036 -0.0193 110 ALA b CB ? ? 1 +29926 C C . ALA V 109 0.1126 0.9119 0.9228 0.0109 -0.1078 -0.0130 110 ALA b C ? ? 1 +29927 O O . ALA V 109 0.1164 0.9168 0.9241 0.0159 -0.1140 -0.0141 110 ALA b O ? ? 1 +29928 N N . ALA V 110 0.1091 0.8990 0.9110 0.0067 -0.1040 -0.0100 111 ALA b N ? ? 1 +29929 C CA . ALA V 110 0.1130 0.8928 0.9021 0.0081 -0.1064 -0.0076 111 ALA b CA ? ? 1 +29930 C CB . ALA V 110 0.1101 0.8812 0.8927 0.0030 -0.1012 -0.0047 111 ALA b CB ? ? 1 +29931 C C . ALA V 110 0.1176 0.8902 0.8975 0.0150 -0.1088 -0.0047 111 ALA b C ? ? 1 +29932 O O . ALA V 110 0.1254 0.8945 0.8981 0.0187 -0.1138 -0.0047 111 ALA b O ? ? 1 +29933 N N . CYS V 111 0.1148 0.8849 0.8947 0.0166 -0.1052 -0.0024 112 CYS b N ? ? 1 +29934 C CA . CYS V 111 0.1204 0.8827 0.8913 0.0228 -0.1067 0.0006 112 CYS b CA ? ? 1 +29935 C CB . CYS V 111 0.1171 0.8766 0.8889 0.0229 -0.1016 0.0030 112 CYS b CB ? ? 1 +29936 S SG . CYS V 111 0.1135 0.8630 0.8784 0.0171 -0.0947 0.0070 112 CYS b SG ? ? 1 +29937 C C . CYS V 111 0.1252 0.8932 0.8986 0.0292 -0.1134 -0.0020 112 CYS b C ? ? 1 +29938 O O . CYS V 111 0.1311 0.8922 0.8945 0.0341 -0.1173 -0.0005 112 CYS b O ? ? 1 +29939 N N . TRP V 112 0.1218 0.9024 0.9084 0.0293 -0.1145 -0.0059 113 TRP b N ? ? 1 +29940 C CA . TRP V 112 0.1275 0.9151 0.9182 0.0356 -0.1209 -0.0087 113 TRP b CA ? ? 1 +29941 C CB . TRP V 112 0.1216 0.9240 0.9288 0.0344 -0.1206 -0.0131 113 TRP b CB ? ? 1 +29942 C CG . TRP V 112 0.1261 0.9361 0.9383 0.0414 -0.1266 -0.0159 113 TRP b CG ? ? 1 +29943 C CD1 . TRP V 112 0.1283 0.9390 0.9419 0.0471 -0.1266 -0.0153 113 TRP b CD1 ? ? 1 +29944 N NE1 . TRP V 112 0.1342 0.9530 0.9528 0.0532 -0.1333 -0.0186 113 TRP b NE1 ? ? 1 +29945 C CE2 . TRP V 112 0.1354 0.9592 0.9560 0.0514 -0.1379 -0.0216 113 TRP b CE2 ? ? 1 +29946 C CZ2 . TRP V 112 0.1395 0.9723 0.9653 0.0557 -0.1456 -0.0257 113 TRP b CZ2 ? ? 1 +29947 C CH2 . TRP V 112 0.1406 0.9764 0.9670 0.0521 -0.1490 -0.0282 113 TRP b CH2 ? ? 1 +29948 C CZ3 . TRP V 112 0.1373 0.9672 0.9594 0.0446 -0.1447 -0.0266 113 TRP b CZ3 ? ? 1 +29949 C CE3 . TRP V 112 0.1314 0.9524 0.9484 0.0406 -0.1371 -0.0224 113 TRP b CE3 ? ? 1 +29950 C CD2 . TRP V 112 0.1305 0.9485 0.9468 0.0439 -0.1337 -0.0199 113 TRP b CD2 ? ? 1 +29951 C C . TRP V 112 0.1352 0.9222 0.9209 0.0369 -0.1271 -0.0104 113 TRP b C ? ? 1 +29952 O O . TRP V 112 0.1426 0.9260 0.9213 0.0432 -0.1323 -0.0099 113 TRP b O ? ? 1 +29953 N N . HIS V 113 0.1347 0.9249 0.9237 0.0308 -0.1264 -0.0122 114 HIS b N ? ? 1 +29954 C CA . HIS V 113 0.1436 0.9337 0.9285 0.0314 -0.1321 -0.0142 114 HIS b CA ? ? 1 +29955 C CB . HIS V 113 0.1378 0.9348 0.9309 0.0240 -0.1308 -0.0174 114 HIS b CB ? ? 1 +29956 C CG . HIS V 113 0.1357 0.9481 0.9440 0.0237 -0.1341 -0.0229 114 HIS b CG ? ? 1 +29957 N ND1 . HIS V 113 0.1428 0.9607 0.9524 0.0280 -0.1418 -0.0262 114 HIS b ND1 ? ? 1 +29958 C CE1 . HIS V 113 0.1389 0.9715 0.9642 0.0263 -0.1430 -0.0310 114 HIS b CE1 ? ? 1 +29959 N NE2 . HIS V 113 0.1299 0.9658 0.9632 0.0212 -0.1361 -0.0307 114 HIS b NE2 ? ? 1 +29960 C CD2 . HIS V 113 0.1281 0.9512 0.9505 0.0196 -0.1306 -0.0256 114 HIS b CD2 ? ? 1 +29961 C C . HIS V 113 0.1546 0.9301 0.9224 0.0335 -0.1328 -0.0101 114 HIS b C ? ? 1 +29962 O O . HIS V 113 0.1625 0.9358 0.9239 0.0370 -0.1385 -0.0110 114 HIS b O ? ? 1 +29963 N N . TRP V 114 0.1562 0.9217 0.9166 0.0315 -0.1269 -0.0056 115 TRP b N ? ? 1 +29964 C CA . TRP V 114 0.1689 0.9206 0.9135 0.0338 -0.1270 -0.0017 115 TRP b CA ? ? 1 +29965 C CB . TRP V 114 0.1693 0.9125 0.9090 0.0296 -0.1197 0.0024 115 TRP b CB ? ? 1 +29966 C CG . TRP V 114 0.1816 0.9115 0.9061 0.0310 -0.1191 0.0063 115 TRP b CG ? ? 1 +29967 C CD1 . TRP V 114 0.1908 0.9109 0.9056 0.0350 -0.1179 0.0101 115 TRP b CD1 ? ? 1 +29968 N NE1 . TRP V 114 0.1994 0.9087 0.9015 0.0348 -0.1171 0.0128 115 TRP b NE1 ? ? 1 +29969 C CE2 . TRP V 114 0.1979 0.9098 0.9010 0.0309 -0.1181 0.0108 115 TRP b CE2 ? ? 1 +29970 C CZ2 . TRP V 114 0.2044 0.9083 0.8973 0.0294 -0.1177 0.0122 115 TRP b CZ2 ? ? 1 +29971 C CH2 . TRP V 114 0.2023 0.9108 0.8988 0.0255 -0.1188 0.0094 115 TRP b CH2 ? ? 1 +29972 C CZ3 . TRP V 114 0.1966 0.9173 0.9067 0.0227 -0.1203 0.0052 115 TRP b CZ3 ? ? 1 +29973 C CE3 . TRP V 114 0.1899 0.9190 0.9105 0.0240 -0.1204 0.0038 115 TRP b CE3 ? ? 1 +29974 C CD2 . TRP V 114 0.1893 0.9139 0.9064 0.0284 -0.1193 0.0067 115 TRP b CD2 ? ? 1 +29975 C C . TRP V 114 0.1786 0.9252 0.9156 0.0418 -0.1308 0.0000 115 TRP b C ? ? 1 +29976 O O . TRP V 114 0.1866 0.9263 0.9127 0.0456 -0.1349 0.0008 115 TRP b O ? ? 1 +29977 N N . VAL V 115 0.1782 0.9277 0.9205 0.0445 -0.1293 0.0003 116 VAL b N ? ? 1 +29978 C CA . VAL V 115 0.1894 0.9337 0.9249 0.0522 -0.1325 0.0019 116 VAL b CA ? ? 1 +29979 C CB . VAL V 115 0.1848 0.9299 0.9252 0.0534 -0.1285 0.0032 116 VAL b CB ? ? 1 +29980 C CG1 . VAL V 115 0.1948 0.9359 0.9296 0.0618 -0.1323 0.0042 116 VAL b CG1 ? ? 1 +29981 C CG2 . VAL V 115 0.1799 0.9160 0.9149 0.0488 -0.1212 0.0073 116 VAL b CG2 ? ? 1 +29982 C C . VAL V 115 0.1999 0.9518 0.9386 0.0579 -0.1406 -0.0019 116 VAL b C ? ? 1 +29983 O O . VAL V 115 0.2112 0.9556 0.9388 0.0635 -0.1449 -0.0006 116 VAL b O ? ? 1 +29984 N N . TYR V 116 0.1986 0.9651 0.9524 0.0563 -0.1425 -0.0066 117 TYR b N ? ? 1 +29985 C CA . TYR V 116 0.2118 0.9874 0.9708 0.0615 -0.1503 -0.0108 117 TYR b CA ? ? 1 +29986 C CB . TYR V 116 0.2092 0.9992 0.9846 0.0624 -0.1504 -0.0144 117 TYR b CB ? ? 1 +29987 C CG . TYR V 116 0.2139 0.9994 0.9876 0.0663 -0.1472 -0.0116 117 TYR b CG ? ? 1 +29988 C CD1 . TYR V 116 0.2277 1.0073 0.9932 0.0748 -0.1514 -0.0102 117 TYR b CD1 ? ? 1 +29989 C CD2 . TYR V 116 0.2078 0.9937 0.9868 0.0615 -0.1398 -0.0101 117 TYR b CD2 ? ? 1 +29990 C CE1 . TYR V 116 0.2315 1.0061 0.9948 0.0783 -0.1483 -0.0076 117 TYR b CE1 ? ? 1 +29991 C CE2 . TYR V 116 0.2109 0.9921 0.9878 0.0650 -0.1368 -0.0076 117 TYR b CE2 ? ? 1 +29992 C CZ . TYR V 116 0.2243 0.9998 0.9934 0.0733 -0.1410 -0.0064 117 TYR b CZ ? ? 1 +29993 O OH . TYR V 116 0.2343 1.0047 1.0011 0.0765 -0.1379 -0.0039 117 TYR b OH ? ? 1 +29994 C C . TYR V 116 0.2160 0.9959 0.9762 0.0582 -0.1543 -0.0140 117 TYR b C ? ? 1 +29995 O O . TYR V 116 0.2092 1.0026 0.9827 0.0560 -0.1567 -0.0188 117 TYR b O ? ? 1 +29996 N N . TRP V 117 0.2243 0.9922 0.9701 0.0580 -0.1546 -0.0112 118 TRP b N ? ? 1 +29997 C CA . TRP V 117 0.2273 0.9961 0.9711 0.0548 -0.1577 -0.0135 118 TRP b CA ? ? 1 +29998 C CB . TRP V 117 0.2285 0.9818 0.9557 0.0533 -0.1549 -0.0090 118 TRP b CB ? ? 1 +29999 C CG . TRP V 117 0.2376 0.9788 0.9499 0.0604 -0.1570 -0.0054 118 TRP b CG ? ? 1 +30000 C CD1 . TRP V 117 0.2383 0.9712 0.9448 0.0628 -0.1529 -0.0012 118 TRP b CD1 ? ? 1 +30001 N NE1 . TRP V 117 0.2498 0.9723 0.9423 0.0697 -0.1565 0.0011 118 TRP b NE1 ? ? 1 +30002 C CE2 . TRP V 117 0.2574 0.9817 0.9464 0.0721 -0.1633 -0.0016 118 TRP b CE2 ? ? 1 +30003 C CZ2 . TRP V 117 0.2740 0.9899 0.9494 0.0789 -0.1690 -0.0008 118 TRP b CZ2 ? ? 1 +30004 C CH2 . TRP V 117 0.2815 1.0018 0.9564 0.0800 -0.1757 -0.0045 118 TRP b CH2 ? ? 1 +30005 C CZ3 . TRP V 117 0.2711 1.0038 0.9591 0.0743 -0.1767 -0.0090 118 TRP b CZ3 ? ? 1 +30006 C CE3 . TRP V 117 0.2561 0.9966 0.9573 0.0673 -0.1707 -0.0097 118 TRP b CE3 ? ? 1 +30007 C CD2 . TRP V 117 0.2494 0.9857 0.9511 0.0663 -0.1639 -0.0059 118 TRP b CD2 ? ? 1 +30008 C C . TRP V 117 0.2379 1.0124 0.9820 0.0605 -0.1669 -0.0173 118 TRP b C ? ? 1 +30009 O O . TRP V 117 0.2356 1.0156 0.9832 0.0575 -0.1703 -0.0209 118 TRP b O ? ? 1 +30010 N N . ASP V 118 0.2519 1.0238 0.9910 0.0686 -0.1710 -0.0164 119 ASP b N ? ? 1 +30011 C CA . ASP V 118 0.2730 1.0474 1.0089 0.0751 -0.1801 -0.0194 119 ASP b CA ? ? 1 +30012 C CB . ASP V 118 0.2977 1.0580 1.0166 0.0831 -0.1823 -0.0152 119 ASP b CB ? ? 1 +30013 C CG . ASP V 118 0.3307 1.0905 1.0425 0.0899 -0.1918 -0.0176 119 ASP b CG ? ? 1 +30014 O OD1 . ASP V 118 0.3414 1.1078 1.0571 0.0871 -0.1959 -0.0215 119 ASP b OD1 ? ? 1 +30015 O OD2 . ASP V 118 0.3570 1.1105 1.0600 0.0982 -0.1955 -0.0159 119 ASP b OD2 ? ? 1 +30016 C C . ASP V 118 0.2646 1.0563 1.0177 0.0773 -0.1848 -0.0248 119 ASP b C ? ? 1 +30017 O O . ASP V 118 0.2672 1.0609 1.0202 0.0851 -0.1895 -0.0255 119 ASP b O ? ? 1 +30018 N N . LEU V 119 0.2512 1.0555 1.0192 0.0705 -0.1833 -0.0289 120 LEU b N ? ? 1 +30019 C CA . LEU V 119 0.2473 1.0691 1.0330 0.0716 -0.1870 -0.0344 120 LEU b CA ? ? 1 +30020 C CB . LEU V 119 0.2325 1.0647 1.0338 0.0627 -0.1809 -0.0367 120 LEU b CB ? ? 1 +30021 C CG . LEU V 119 0.2240 1.0522 1.0266 0.0599 -0.1721 -0.0328 120 LEU b CG ? ? 1 +30022 C CD1 . LEU V 119 0.2125 1.0523 1.0312 0.0519 -0.1670 -0.0357 120 LEU b CD1 ? ? 1 +30023 C CD2 . LEU V 119 0.2267 1.0543 1.0290 0.0676 -0.1728 -0.0312 120 LEU b CD2 ? ? 1 +30024 C C . LEU V 119 0.2556 1.0841 1.0426 0.0744 -0.1963 -0.0392 120 LEU b C ? ? 1 +30025 O O . LEU V 119 0.2574 1.0821 1.0388 0.0705 -0.1976 -0.0399 120 LEU b O ? ? 1 +30026 N N . GLU V 120 0.2643 1.1033 1.0595 0.0810 -0.2027 -0.0428 121 GLU b N ? ? 1 +30027 C CA . GLU V 120 0.2723 1.1185 1.0693 0.0848 -0.2124 -0.0477 121 GLU b CA ? ? 1 +30028 C CB . GLU V 120 0.2806 1.1377 1.0866 0.0931 -0.2182 -0.0507 121 GLU b CB ? ? 1 +30029 C CG . GLU V 120 0.2920 1.1599 1.1034 0.0973 -0.2287 -0.0567 121 GLU b CG ? ? 1 +30030 C CD . GLU V 120 0.2873 1.1745 1.1198 0.0910 -0.2298 -0.0634 121 GLU b CD ? ? 1 +30031 O OE1 . GLU V 120 0.2738 1.1671 1.1180 0.0836 -0.2220 -0.0635 121 GLU b OE1 ? ? 1 +30032 O OE2 . GLU V 120 0.2965 1.1929 1.1338 0.0934 -0.2384 -0.0687 121 GLU b OE2 ? ? 1 +30033 C C . GLU V 120 0.2637 1.1207 1.0720 0.0767 -0.2131 -0.0527 121 GLU b C ? ? 1 +30034 O O . GLU V 120 0.2698 1.1265 1.0734 0.0774 -0.2196 -0.0553 121 GLU b O ? ? 1 +30035 N N . LEU V 121 0.2525 1.1179 1.0749 0.0690 -0.2063 -0.0539 122 LEU b N ? ? 1 +30036 C CA . LEU V 121 0.2521 1.1267 1.0853 0.0603 -0.2056 -0.0582 122 LEU b CA ? ? 1 +30037 C CB . LEU V 121 0.2376 1.1183 1.0837 0.0526 -0.1964 -0.0580 122 LEU b CB ? ? 1 +30038 C CG . LEU V 121 0.2314 1.1202 1.0884 0.0428 -0.1940 -0.0619 122 LEU b CG ? ? 1 +30039 C CD1 . LEU V 121 0.2336 1.1401 1.1061 0.0430 -0.2015 -0.0696 122 LEU b CD1 ? ? 1 +30040 C CD2 . LEU V 121 0.2197 1.1114 1.0861 0.0361 -0.1844 -0.0606 122 LEU b CD2 ? ? 1 +30041 C C . LEU V 121 0.2664 1.1292 1.0860 0.0562 -0.2057 -0.0567 122 LEU b C ? ? 1 +30042 O O . LEU V 121 0.2673 1.1367 1.0920 0.0525 -0.2097 -0.0613 122 LEU b O ? ? 1 +30043 N N . PHE V 122 0.2780 1.1237 1.0807 0.0569 -0.2013 -0.0505 123 PHE b N ? ? 1 +30044 C CA . PHE V 122 0.2946 1.1286 1.0841 0.0532 -0.2006 -0.0487 123 PHE b CA ? ? 1 +30045 C CB . PHE V 122 0.2805 1.0993 1.0577 0.0511 -0.1921 -0.0419 123 PHE b CB ? ? 1 +30046 C CG . PHE V 122 0.2575 1.0807 1.0456 0.0456 -0.1837 -0.0406 123 PHE b CG ? ? 1 +30047 C CD1 . PHE V 122 0.2451 1.0804 1.0488 0.0384 -0.1814 -0.0447 123 PHE b CD1 ? ? 1 +30048 C CD2 . PHE V 122 0.2489 1.0639 1.0314 0.0476 -0.1780 -0.0354 123 PHE b CD2 ? ? 1 +30049 C CE1 . PHE V 122 0.2319 1.0708 1.0449 0.0335 -0.1736 -0.0435 123 PHE b CE1 ? ? 1 +30050 C CE2 . PHE V 122 0.2356 1.0544 1.0275 0.0427 -0.1705 -0.0344 123 PHE b CE2 ? ? 1 +30051 C CZ . PHE V 122 0.2277 1.0582 1.0345 0.0358 -0.1683 -0.0383 123 PHE b CZ ? ? 1 +30052 C C . PHE V 122 0.3397 1.1669 1.1155 0.0594 -0.2090 -0.0493 123 PHE b C ? ? 1 +30053 O O . PHE V 122 0.3550 1.1735 1.1204 0.0564 -0.2091 -0.0485 123 PHE b O ? ? 1 +30054 N N . ARG V 123 0.3831 1.2141 1.1588 0.0680 -0.2160 -0.0507 124 ARG b N ? ? 1 +30055 C CA . ARG V 123 0.4308 1.2564 1.1941 0.0746 -0.2249 -0.0517 124 ARG b CA ? ? 1 +30056 C CB . ARG V 123 0.4598 1.2807 1.2153 0.0851 -0.2288 -0.0493 124 ARG b CB ? ? 1 +30057 C CG . ARG V 123 0.4775 1.2853 1.2230 0.0866 -0.2213 -0.0425 124 ARG b CG ? ? 1 +30058 C CD . ARG V 123 0.5088 1.2994 1.2365 0.0837 -0.2170 -0.0376 124 ARG b CD ? ? 1 +30059 N NE . ARG V 123 0.5375 1.3146 1.2536 0.0867 -0.2114 -0.0312 124 ARG b NE ? ? 1 +30060 C CZ . ARG V 123 0.5669 1.3274 1.2633 0.0905 -0.2114 -0.0267 124 ARG b CZ ? ? 1 +30061 N NH1 . ARG V 123 0.5848 1.3386 1.2696 0.0910 -0.2155 -0.0274 124 ARG b NH1 ? ? 1 +30062 N NH2 . ARG V 123 0.5807 1.3307 1.2685 0.0938 -0.2069 -0.0215 124 ARG b NH2 ? ? 1 +30063 C C . ARG V 123 0.4538 1.2943 1.2291 0.0739 -0.2331 -0.0592 124 ARG b C ? ? 1 +30064 O O . ARG V 123 0.4369 1.2935 1.2305 0.0730 -0.2343 -0.0635 124 ARG b O ? ? 1 +30065 N N . ASP V 124 0.4915 1.3261 1.2561 0.0745 -0.2387 -0.0607 125 ASP b N ? ? 1 +30066 C CA . ASP V 124 0.5146 1.3614 1.2873 0.0756 -0.2481 -0.0676 125 ASP b CA ? ? 1 +30067 C CB . ASP V 124 0.5387 1.3756 1.2969 0.0746 -0.2522 -0.0682 125 ASP b CB ? ? 1 +30068 C CG . ASP V 124 0.5575 1.4064 1.3237 0.0747 -0.2618 -0.0757 125 ASP b CG ? ? 1 +30069 O OD1 . ASP V 124 0.5801 1.4366 1.3497 0.0824 -0.2701 -0.0787 125 ASP b OD1 ? ? 1 +30070 O OD2 . ASP V 124 0.5703 1.4209 1.3395 0.0672 -0.2611 -0.0786 125 ASP b OD2 ? ? 1 +30071 C C . ASP V 124 0.5416 1.3933 1.3148 0.0861 -0.2560 -0.0690 125 ASP b C ? ? 1 +30072 O O . ASP V 124 0.5401 1.3786 1.2966 0.0936 -0.2576 -0.0646 125 ASP b O ? ? 1 +30073 N N . PRO V 125 0.5764 1.4469 1.3685 0.0871 -0.2610 -0.0751 126 PRO b N ? ? 1 +30074 C CA . PRO V 125 0.6026 1.4790 1.3964 0.0976 -0.2689 -0.0768 126 PRO b CA ? ? 1 +30075 C CB . PRO V 125 0.5851 1.4845 1.4039 0.0950 -0.2719 -0.0841 126 PRO b CB ? ? 1 +30076 C CG . PRO V 125 0.5690 1.4732 1.3994 0.0831 -0.2629 -0.0846 126 PRO b CG ? ? 1 +30077 C CD . PRO V 125 0.5712 1.4583 1.3843 0.0783 -0.2589 -0.0805 126 PRO b CD ? ? 1 +30078 C C . PRO V 125 0.6505 1.5189 1.4282 0.1055 -0.2789 -0.0776 126 PRO b C ? ? 1 +30079 O O . PRO V 125 0.6651 1.5299 1.4355 0.1154 -0.2837 -0.0761 126 PRO b O ? ? 1 +30080 N N . ARG V 126 0.6990 1.5641 1.4706 0.1014 -0.2820 -0.0798 127 ARG b N ? ? 1 +30081 C CA . ARG V 126 0.7470 1.6046 1.5032 0.1083 -0.2917 -0.0810 127 ARG b CA ? ? 1 +30082 C CB . ARG V 126 0.8099 1.6730 1.5694 0.1024 -0.2964 -0.0867 127 ARG b CB ? ? 1 +30083 C CG . ARG V 126 0.8670 1.7533 1.6516 0.0984 -0.3005 -0.0948 127 ARG b CG ? ? 1 +30084 C CD . ARG V 126 0.9080 1.8001 1.7054 0.0859 -0.2925 -0.0962 127 ARG b CD ? ? 1 +30085 N NE . ARG V 126 0.9561 1.8364 1.7405 0.0805 -0.2914 -0.0955 127 ARG b NE ? ? 1 +30086 C CZ . ARG V 126 0.9792 1.8578 1.7674 0.0702 -0.2835 -0.0949 127 ARG b CZ ? ? 1 +30087 N NH1 . ARG V 126 0.9541 1.8446 1.7611 0.0632 -0.2770 -0.0964 127 ARG b NH1 ? ? 1 +30088 N NH2 . ARG V 126 1.0156 1.8799 1.7880 0.0670 -0.2819 -0.0928 127 ARG b NH2 ? ? 1 +30089 C C . ARG V 126 0.7329 1.5674 1.4634 0.1123 -0.2887 -0.0737 127 ARG b C ? ? 1 +30090 O O . ARG V 126 0.7374 1.5641 1.4549 0.1220 -0.2944 -0.0719 127 ARG b O ? ? 1 +30091 N N . THR V 127 0.7077 1.5314 1.4312 0.1048 -0.2797 -0.0695 128 THR b N ? ? 1 +30092 C CA . THR V 127 0.6797 1.4820 1.3795 0.1071 -0.2763 -0.0630 128 THR b CA ? ? 1 +30093 C CB . THR V 127 0.6707 1.4663 1.3653 0.0981 -0.2715 -0.0626 128 THR b CB ? ? 1 +30094 O OG1 . THR V 127 0.6426 1.4400 1.3467 0.0900 -0.2610 -0.0602 128 THR b OG1 ? ? 1 +30095 C CG2 . THR V 127 0.6684 1.4750 1.3718 0.0942 -0.2782 -0.0698 128 THR b CG2 ? ? 1 +30096 C C . THR V 127 0.6688 1.4612 1.3626 0.1092 -0.2682 -0.0561 128 THR b C ? ? 1 +30097 O O . THR V 127 0.6803 1.4559 1.3543 0.1143 -0.2675 -0.0510 128 THR b O ? ? 1 +30098 N N . GLY V 128 0.6397 1.4423 1.3502 0.1051 -0.2621 -0.0561 129 GLY b N ? ? 1 +30099 C CA . GLY V 128 0.6198 1.4142 1.3264 0.1062 -0.2540 -0.0500 129 GLY b CA ? ? 1 +30100 C C . GLY V 128 0.6151 1.3966 1.3128 0.0990 -0.2440 -0.0447 129 GLY b C ? ? 1 +30101 O O . GLY V 128 0.5989 1.3719 1.2916 0.0993 -0.2369 -0.0394 129 GLY b O ? ? 1 +30102 N N . GLU V 129 0.5968 1.3775 1.2933 0.0923 -0.2434 -0.0466 130 GLU b N ? ? 1 +30103 C CA . GLU V 129 0.5794 1.3495 1.2689 0.0852 -0.2344 -0.0424 130 GLU b CA ? ? 1 +30104 C CB . GLU V 129 0.6285 1.3907 1.3058 0.0832 -0.2373 -0.0435 130 GLU b CB ? ? 1 +30105 C CG . GLU V 129 0.6867 1.4360 1.3439 0.0918 -0.2434 -0.0416 130 GLU b CG ? ? 1 +30106 C CD . GLU V 129 0.7425 1.4882 1.3907 0.0911 -0.2491 -0.0447 130 GLU b CD ? ? 1 +30107 O OE1 . GLU V 129 0.7755 1.5144 1.4185 0.0847 -0.2439 -0.0434 130 GLU b OE1 ? ? 1 +30108 O OE2 . GLU V 129 0.7637 1.5131 1.4097 0.0972 -0.2589 -0.0485 130 GLU b OE2 ? ? 1 +30109 C C . GLU V 129 0.5084 1.2898 1.2162 0.0762 -0.2277 -0.0441 130 GLU b C ? ? 1 +30110 O O . GLU V 129 0.4806 1.2779 1.2055 0.0737 -0.2309 -0.0497 130 GLU b O ? ? 1 +30111 N N . PRO V 130 0.4522 1.2256 1.1570 0.0708 -0.2180 -0.0394 131 PRO b N ? ? 1 +30112 C CA . PRO V 130 0.4176 1.1999 1.1376 0.0621 -0.2114 -0.0407 131 PRO b CA ? ? 1 +30113 C CB . PRO V 130 0.4254 1.1941 1.1353 0.0586 -0.2021 -0.0344 131 PRO b CB ? ? 1 +30114 C CG . PRO V 130 0.4422 1.1978 1.1357 0.0663 -0.2032 -0.0297 131 PRO b CG ? ? 1 +30115 C CD . PRO V 130 0.4562 1.2117 1.1425 0.0728 -0.2130 -0.0328 131 PRO b CD ? ? 1 +30116 C C . PRO V 130 0.3940 1.1837 1.1210 0.0560 -0.2144 -0.0460 131 PRO b C ? ? 1 +30117 O O . PRO V 130 0.3979 1.1794 1.1129 0.0560 -0.2172 -0.0462 131 PRO b O ? ? 1 +30118 N N . ALA V 131 0.3685 1.1735 1.1147 0.0509 -0.2136 -0.0504 132 ALA b N ? ? 1 +30119 C CA . ALA V 131 0.3541 1.1675 1.1088 0.0449 -0.2165 -0.0560 132 ALA b CA ? ? 1 +30120 C CB . ALA V 131 0.3606 1.1819 1.1174 0.0503 -0.2274 -0.0613 132 ALA b CB ? ? 1 +30121 C C . ALA V 131 0.3296 1.1559 1.1037 0.0373 -0.2112 -0.0586 132 ALA b C ? ? 1 +30122 O O . ALA V 131 0.3249 1.1597 1.1101 0.0388 -0.2094 -0.0586 132 ALA b O ? ? 1 +30123 N N . LEU V 132 0.3137 1.1405 1.0909 0.0291 -0.2084 -0.0606 133 LEU b N ? ? 1 +30124 C CA . LEU V 132 0.2895 1.1276 1.0841 0.0212 -0.2035 -0.0634 133 LEU b CA ? ? 1 +30125 C CB . LEU V 132 0.2825 1.1112 1.0730 0.0151 -0.1932 -0.0587 133 LEU b CB ? ? 1 +30126 C CG . LEU V 132 0.2769 1.0995 1.0634 0.0182 -0.1873 -0.0528 133 LEU b CG ? ? 1 +30127 C CD1 . LEU V 132 0.2712 1.0846 1.0531 0.0122 -0.1782 -0.0487 133 LEU b CD1 ? ? 1 +30128 C CD2 . LEU V 132 0.2696 1.1054 1.0720 0.0196 -0.1864 -0.0544 133 LEU b CD2 ? ? 1 +30129 C C . LEU V 132 0.2802 1.1257 1.0813 0.0163 -0.2084 -0.0698 133 LEU b C ? ? 1 +30130 O O . LEU V 132 0.2871 1.1233 1.0768 0.0145 -0.2097 -0.0697 133 LEU b O ? ? 1 +30131 N N . ASP V 133 0.2663 1.1286 1.0858 0.0143 -0.2111 -0.0754 134 ASP b N ? ? 1 +30132 C CA . ASP V 133 0.2614 1.1324 1.0894 0.0090 -0.2157 -0.0820 134 ASP b CA ? ? 1 +30133 C CB . ASP V 133 0.2594 1.1493 1.1056 0.0109 -0.2216 -0.0881 134 ASP b CB ? ? 1 +30134 C CG . ASP V 133 0.2653 1.1646 1.1198 0.0065 -0.2279 -0.0954 134 ASP b CG ? ? 1 +30135 O OD1 . ASP V 133 0.2684 1.1581 1.1121 0.0032 -0.2289 -0.0956 134 ASP b OD1 ? ? 1 +30136 O OD2 . ASP V 133 0.2680 1.1845 1.1399 0.0065 -0.2321 -0.1010 134 ASP b OD2 ? ? 1 +30137 C C . ASP V 133 0.2469 1.1166 1.0801 -0.0013 -0.2075 -0.0820 134 ASP b C ? ? 1 +30138 O O . ASP V 133 0.2434 1.1247 1.0930 -0.0065 -0.2038 -0.0846 134 ASP b O ? ? 1 +30139 N N . LEU V 134 0.2418 1.0971 1.0606 -0.0041 -0.2047 -0.0791 135 LEU b N ? ? 1 +30140 C CA . LEU V 134 0.2281 1.0792 1.0487 -0.0129 -0.1962 -0.0778 135 LEU b CA ? ? 1 +30141 C CB . LEU V 134 0.2324 1.0658 1.0337 -0.0133 -0.1942 -0.0738 135 LEU b CB ? ? 1 +30142 C CG . LEU V 134 0.2325 1.0534 1.0185 -0.0062 -0.1923 -0.0670 135 LEU b CG ? ? 1 +30143 C CD1 . LEU V 134 0.2380 1.0428 1.0056 -0.0064 -0.1914 -0.0641 135 LEU b CD1 ? ? 1 +30144 C CD2 . LEU V 134 0.2218 1.0422 1.0121 -0.0073 -0.1839 -0.0625 135 LEU b CD2 ? ? 1 +30145 C C . LEU V 134 0.2203 1.0830 1.0561 -0.0211 -0.1969 -0.0843 135 LEU b C ? ? 1 +30146 O O . LEU V 134 0.2106 1.0765 1.0557 -0.0279 -0.1897 -0.0843 135 LEU b O ? ? 1 +30147 N N . PRO V 135 0.2241 1.0932 1.0629 -0.0210 -0.2052 -0.0902 136 PRO b N ? ? 1 +30148 C CA . PRO V 135 0.2215 1.1032 1.0764 -0.0286 -0.2062 -0.0969 136 PRO b CA ? ? 1 +30149 C CB . PRO V 135 0.2324 1.1188 1.0859 -0.0250 -0.2174 -0.1023 136 PRO b CB ? ? 1 +30150 C CG . PRO V 135 0.2414 1.1112 1.0727 -0.0185 -0.2198 -0.0976 136 PRO b CG ? ? 1 +30151 C CD . PRO V 135 0.2362 1.1000 1.0623 -0.0138 -0.2141 -0.0908 136 PRO b CD ? ? 1 +30152 C C . PRO V 135 0.2095 1.1074 1.0847 -0.0310 -0.2033 -0.0994 136 PRO b C ? ? 1 +30153 O O . PRO V 135 0.2029 1.1059 1.0891 -0.0393 -0.1978 -0.1015 136 PRO b O ? ? 1 +30154 N N . LYS V 136 0.2061 1.1116 1.0861 -0.0235 -0.2067 -0.0990 137 LYS b N ? ? 1 +30155 C CA . LYS V 136 0.1970 1.1178 1.0959 -0.0249 -0.2038 -0.1012 137 LYS b CA ? ? 1 +30156 C CB . LYS V 136 0.2015 1.1324 1.1056 -0.0157 -0.2112 -0.1029 137 LYS b CB ? ? 1 +30157 C CG . LYS V 136 0.1963 1.1462 1.1226 -0.0174 -0.2102 -0.1073 137 LYS b CG ? ? 1 +30158 C CD . LYS V 136 0.2023 1.1621 1.1334 -0.0079 -0.2180 -0.1093 137 LYS b CD ? ? 1 +30159 C CE . LYS V 136 0.2154 1.1808 1.1467 -0.0055 -0.2291 -0.1151 137 LYS b CE ? ? 1 +30160 N NZ . LYS V 136 0.2214 1.1989 1.1601 0.0035 -0.2372 -0.1180 137 LYS b NZ ? ? 1 +30161 C C . LYS V 136 0.1822 1.0974 1.0807 -0.0274 -0.1931 -0.0956 137 LYS b C ? ? 1 +30162 O O . LYS V 136 0.1732 1.0975 1.0861 -0.0332 -0.1876 -0.0973 137 LYS b O ? ? 1 +30163 N N . MET V 137 0.1785 1.0788 1.0606 -0.0230 -0.1903 -0.0888 138 MET b N ? ? 1 +30164 C CA . MET V 137 0.1677 1.0613 1.0478 -0.0252 -0.1805 -0.0833 138 MET b CA ? ? 1 +30165 C CB . MET V 137 0.1733 1.0498 1.0336 -0.0200 -0.1790 -0.0765 138 MET b CB ? ? 1 +30166 C CG . MET V 137 0.1759 1.0526 1.0327 -0.0105 -0.1821 -0.0738 138 MET b CG ? ? 1 +30167 S SD . MET V 137 0.1849 1.0410 1.0173 -0.0048 -0.1815 -0.0666 138 MET b SD ? ? 1 +30168 C CE . MET V 137 0.1756 1.0222 1.0046 -0.0117 -0.1703 -0.0618 138 MET b CE ? ? 1 +30169 C C . MET V 137 0.1587 1.0504 1.0428 -0.0354 -0.1735 -0.0842 138 MET b C ? ? 1 +30170 O O . MET V 137 0.1498 1.0453 1.0428 -0.0396 -0.1663 -0.0832 138 MET b O ? ? 1 +30171 N N . PHE V 138 0.1609 1.0457 1.0374 -0.0392 -0.1757 -0.0858 139 PHE b N ? ? 1 +30172 C CA . PHE V 138 0.1567 1.0387 1.0358 -0.0488 -0.1699 -0.0870 139 PHE b CA ? ? 1 +30173 C CB . PHE V 138 0.1661 1.0391 1.0340 -0.0509 -0.1740 -0.0887 139 PHE b CB ? ? 1 +30174 C CG . PHE V 138 0.1657 1.0356 1.0363 -0.0607 -0.1684 -0.0902 139 PHE b CG ? ? 1 +30175 C CD1 . PHE V 138 0.1607 1.0202 1.0254 -0.0642 -0.1594 -0.0852 139 PHE b CD1 ? ? 1 +30176 C CD2 . PHE V 138 0.1704 1.0483 1.0504 -0.0666 -0.1719 -0.0969 139 PHE b CD2 ? ? 1 +30177 C CE1 . PHE V 138 0.1613 1.0174 1.0280 -0.0730 -0.1541 -0.0866 139 PHE b CE1 ? ? 1 +30178 C CE2 . PHE V 138 0.1706 1.0450 1.0529 -0.0759 -0.1664 -0.0983 139 PHE b CE2 ? ? 1 +30179 C CZ . PHE V 138 0.1661 1.0294 1.0415 -0.0789 -0.1574 -0.0931 139 PHE b CZ ? ? 1 +30180 C C . PHE V 138 0.1496 1.0475 1.0489 -0.0552 -0.1686 -0.0927 139 PHE b C ? ? 1 +30181 O O . PHE V 138 0.1418 1.0396 1.0468 -0.0617 -0.1606 -0.0919 139 PHE b O ? ? 1 +30182 N N . GLY V 139 0.1515 1.0631 1.0616 -0.0532 -0.1763 -0.0986 140 GLY b N ? ? 1 +30183 C CA . GLY V 139 0.1472 1.0756 1.0778 -0.0587 -0.1756 -0.1045 140 GLY b CA ? ? 1 +30184 C C . GLY V 139 0.1368 1.0717 1.0777 -0.0588 -0.1684 -0.1023 140 GLY b C ? ? 1 +30185 O O . GLY V 139 0.1306 1.0691 1.0808 -0.0665 -0.1614 -0.1034 140 GLY b O ? ? 1 +30186 N N . ILE V 140 0.1350 1.0701 1.0726 -0.0502 -0.1700 -0.0989 141 ILE b N ? ? 1 +30187 C CA . ILE V 140 0.1278 1.0680 1.0733 -0.0489 -0.1637 -0.0965 141 ILE b CA ? ? 1 +30188 C CB . ILE V 140 0.1282 1.0659 1.0666 -0.0383 -0.1673 -0.0927 141 ILE b CB ? ? 1 +30189 C CG1 . ILE V 140 0.1339 1.0840 1.0794 -0.0320 -0.1775 -0.0977 141 ILE b CG1 ? ? 1 +30190 C CG2 . ILE V 140 0.1200 1.0596 1.0632 -0.0369 -0.1601 -0.0892 141 ILE b CG2 ? ? 1 +30191 C CD1 . ILE V 140 0.1373 1.0818 1.0720 -0.0213 -0.1820 -0.0939 141 ILE b CD1 ? ? 1 +30192 C C . ILE V 140 0.1241 1.0534 1.0641 -0.0549 -0.1533 -0.0918 141 ILE b C ? ? 1 +30193 O O . ILE V 140 0.1186 1.0546 1.0703 -0.0605 -0.1468 -0.0930 141 ILE b O ? ? 1 +30194 N N . HIS V 141 0.1273 1.0396 1.0493 -0.0536 -0.1518 -0.0865 142 HIS b N ? ? 1 +30195 C CA . HIS V 141 0.1248 1.0257 1.0399 -0.0582 -0.1426 -0.0817 142 HIS b CA ? ? 1 +30196 C CB . HIS V 141 0.1298 1.0131 1.0245 -0.0544 -0.1429 -0.0760 142 HIS b CB ? ? 1 +30197 C CG . HIS V 141 0.1312 1.0110 1.0184 -0.0452 -0.1453 -0.0719 142 HIS b CG ? ? 1 +30198 N ND1 . HIS V 141 0.1369 1.0029 1.0069 -0.0408 -0.1468 -0.0674 142 HIS b ND1 ? ? 1 +30199 C CE1 . HIS V 141 0.1361 1.0022 1.0034 -0.0332 -0.1484 -0.0646 142 HIS b CE1 ? ? 1 +30200 N NE2 . HIS V 141 0.1319 1.0112 1.0136 -0.0322 -0.1483 -0.0671 142 HIS b NE2 ? ? 1 +30201 C CD2 . HIS V 141 0.1292 1.0178 1.0240 -0.0398 -0.1462 -0.0718 142 HIS b CD2 ? ? 1 +30202 C C . HIS V 141 0.1248 1.0263 1.0458 -0.0684 -0.1379 -0.0847 142 HIS b C ? ? 1 +30203 O O . HIS V 141 0.1192 1.0195 1.0438 -0.0732 -0.1298 -0.0829 142 HIS b O ? ? 1 +30204 N N . LEU V 142 0.1320 1.0345 1.0531 -0.0716 -0.1430 -0.0890 143 LEU b N ? ? 1 +30205 C CA . LEU V 142 0.1360 1.0392 1.0629 -0.0815 -0.1392 -0.0924 143 LEU b CA ? ? 1 +30206 C CB . LEU V 142 0.1452 1.0480 1.0696 -0.0835 -0.1463 -0.0970 143 LEU b CB ? ? 1 +30207 C CG . LEU V 142 0.1487 1.0501 1.0770 -0.0939 -0.1428 -0.1006 143 LEU b CG ? ? 1 +30208 C CD1 . LEU V 142 0.1483 1.0329 1.0637 -0.0977 -0.1347 -0.0952 143 LEU b CD1 ? ? 1 +30209 C CD2 . LEU V 142 0.1576 1.0594 1.0836 -0.0951 -0.1507 -0.1055 143 LEU b CD2 ? ? 1 +30210 C C . LEU V 142 0.1333 1.0521 1.0799 -0.0863 -0.1357 -0.0966 143 LEU b C ? ? 1 +30211 O O . LEU V 142 0.1321 1.0489 1.0823 -0.0938 -0.1280 -0.0964 143 LEU b O ? ? 1 +30212 N N . PHE V 143 0.1329 1.0669 1.0919 -0.0819 -0.1411 -0.1003 144 PHE b N ? ? 1 +30213 C CA . PHE V 143 0.1298 1.0798 1.1082 -0.0857 -0.1379 -0.1044 144 PHE b CA ? ? 1 +30214 C CB . PHE V 143 0.1295 1.0954 1.1193 -0.0788 -0.1458 -0.1084 144 PHE b CB ? ? 1 +30215 C CG . PHE V 143 0.1246 1.1081 1.1347 -0.0810 -0.1429 -0.1124 144 PHE b CG ? ? 1 +30216 C CD1 . PHE V 143 0.1274 1.1237 1.1533 -0.0884 -0.1436 -0.1193 144 PHE b CD1 ? ? 1 +30217 C CD2 . PHE V 143 0.1186 1.1061 1.1324 -0.0756 -0.1397 -0.1095 144 PHE b CD2 ? ? 1 +30218 C CE1 . PHE V 143 0.1234 1.1369 1.1689 -0.0903 -0.1409 -0.1233 144 PHE b CE1 ? ? 1 +30219 C CE2 . PHE V 143 0.1156 1.1196 1.1483 -0.0774 -0.1370 -0.1135 144 PHE b CE2 ? ? 1 +30220 C CZ . PHE V 143 0.1170 1.1343 1.1657 -0.0847 -0.1375 -0.1203 144 PHE b CZ ? ? 1 +30221 C C . PHE V 143 0.1245 1.0710 1.1032 -0.0866 -0.1283 -0.0997 144 PHE b C ? ? 1 +30222 O O . PHE V 143 0.1217 1.0729 1.1103 -0.0939 -0.1215 -0.1014 144 PHE b O ? ? 1 +30223 N N . LEU V 144 0.1238 1.0620 1.0914 -0.0792 -0.1278 -0.0939 145 LEU b N ? ? 1 +30224 C CA . LEU V 144 0.1214 1.0554 1.0877 -0.0790 -0.1194 -0.0891 145 LEU b CA ? ? 1 +30225 C CB . LEU V 144 0.1231 1.0491 1.0774 -0.0696 -0.1210 -0.0834 145 LEU b CB ? ? 1 +30226 C CG . LEU V 144 0.1269 1.0639 1.0874 -0.0609 -0.1281 -0.0852 145 LEU b CG ? ? 1 +30227 C CD1 . LEU V 144 0.1279 1.0536 1.0736 -0.0527 -0.1292 -0.0790 145 LEU b CD1 ? ? 1 +30228 C CD2 . LEU V 144 0.1226 1.0760 1.1017 -0.0614 -0.1254 -0.0885 145 LEU b CD2 ? ? 1 +30229 C C . LEU V 144 0.1203 1.0412 1.0783 -0.0863 -0.1114 -0.0860 145 LEU b C ? ? 1 +30230 O O . LEU V 144 0.1159 1.0375 1.0789 -0.0906 -0.1035 -0.0849 145 LEU b O ? ? 1 +30231 N N . ALA V 145 0.1239 1.0324 1.0685 -0.0874 -0.1136 -0.0845 146 ALA b N ? ? 1 +30232 C CA . ALA V 145 0.1243 1.0198 1.0602 -0.0940 -0.1068 -0.0818 146 ALA b CA ? ? 1 +30233 C CB . ALA V 145 0.1304 1.0128 1.0508 -0.0929 -0.1107 -0.0802 146 ALA b CB ? ? 1 +30234 C C . ALA V 145 0.1243 1.0266 1.0724 -0.1036 -0.1027 -0.0866 146 ALA b C ? ? 1 +30235 O O . ALA V 145 0.1213 1.0182 1.0687 -0.1090 -0.0945 -0.0847 146 ALA b O ? ? 1 +30236 N N . GLY V 146 0.1282 1.0420 1.0869 -0.1056 -0.1086 -0.0930 147 GLY b N ? ? 1 +30237 C CA . GLY V 146 0.1305 1.0539 1.1038 -0.1144 -0.1054 -0.0984 147 GLY b CA ? ? 1 +30238 C C . GLY V 146 0.1240 1.0561 1.1094 -0.1166 -0.0980 -0.0983 147 GLY b C ? ? 1 +30239 O O . GLY V 146 0.1241 1.0516 1.1103 -0.1238 -0.0899 -0.0977 147 GLY b O ? ? 1 +30240 N N . LEU V 147 0.1184 1.0620 1.1122 -0.1100 -0.1007 -0.0988 148 LEU b N ? ? 1 +30241 C CA . LEU V 147 0.1120 1.0642 1.1170 -0.1108 -0.0941 -0.0987 148 LEU b CA ? ? 1 +30242 C CB . LEU V 147 0.1082 1.0702 1.1184 -0.1014 -0.0987 -0.0984 148 LEU b CB ? ? 1 +30243 C CG . LEU V 147 0.1110 1.0921 1.1381 -0.0998 -0.1055 -0.1052 148 LEU b CG ? ? 1 +30244 C CD1 . LEU V 147 0.1075 1.0955 1.1374 -0.0898 -0.1088 -0.1038 148 LEU b CD1 ? ? 1 +30245 C CD2 . LEU V 147 0.1106 1.1052 1.1563 -0.1086 -0.1004 -0.1109 148 LEU b CD2 ? ? 1 +30246 C C . LEU V 147 0.1083 1.0468 1.1029 -0.1128 -0.0848 -0.0926 148 LEU b C ? ? 1 +30247 O O . LEU V 147 0.1070 1.0474 1.1084 -0.1191 -0.0770 -0.0933 148 LEU b O ? ? 1 +30248 N N A LEU V 148 0.1056 1.0299 1.0834 -0.1074 -0.0857 -0.0868 149 LEU b N ? ? 1 +30249 N N B LEU V 148 0.1082 1.0329 1.0863 -0.1071 -0.0856 -0.0867 149 LEU b N ? ? 1 +30250 C CA A LEU V 148 0.1021 1.0134 1.0694 -0.1082 -0.0778 -0.0809 149 LEU b CA ? ? 1 +30251 C CA B LEU V 148 0.1072 1.0184 1.0744 -0.1082 -0.0777 -0.0808 149 LEU b CA ? ? 1 +30252 C C A LEU V 148 0.1050 1.0065 1.0675 -0.1171 -0.0721 -0.0808 149 LEU b C ? ? 1 +30253 C C B LEU V 148 0.1077 1.0095 1.0706 -0.1173 -0.0721 -0.0810 149 LEU b C ? ? 1 +30254 O O A LEU V 148 0.1036 1.0018 1.0670 -0.1216 -0.0638 -0.0792 149 LEU b O ? ? 1 +30255 O O B LEU V 148 0.1061 1.0052 1.0705 -0.1220 -0.0638 -0.0796 149 LEU b O ? ? 1 +30256 C CB A LEU V 148 0.1011 1.0004 1.0522 -0.1004 -0.0809 -0.0752 149 LEU b CB ? ? 1 +30257 C CB B LEU V 148 0.1108 1.0091 1.0612 -0.1008 -0.0806 -0.0750 149 LEU b CB ? ? 1 +30258 C CG A LEU V 148 0.0971 0.9866 1.0396 -0.0984 -0.0742 -0.0691 149 LEU b CG ? ? 1 +30259 C CG B LEU V 148 0.1116 1.0155 1.0632 -0.0916 -0.0845 -0.0734 149 LEU b CG ? ? 1 +30260 C CD1 A LEU V 148 0.0926 0.9925 1.0469 -0.0978 -0.0697 -0.0699 149 LEU b CD1 ? ? 1 +30261 C CD1 B LEU V 148 0.1146 1.0050 1.0492 -0.0855 -0.0871 -0.0680 149 LEU b CD1 ? ? 1 +30262 C CD2 A LEU V 148 0.0961 0.9768 1.0253 -0.0902 -0.0782 -0.0644 149 LEU b CD2 ? ? 1 +30263 C CD2 B LEU V 148 0.1076 1.0171 1.0669 -0.0912 -0.0781 -0.0722 149 LEU b CD2 ? ? 1 +30264 N N . CYS V 149 0.1095 1.0059 1.0664 -0.1194 -0.0766 -0.0826 150 CYS b N ? ? 1 +30265 C CA . CYS V 149 0.1123 0.9994 1.0645 -0.1278 -0.0723 -0.0832 150 CYS b CA ? ? 1 +30266 C CB . CYS V 149 0.1180 1.0009 1.0640 -0.1281 -0.0794 -0.0855 150 CYS b CB ? ? 1 +30267 S SG . CYS V 149 0.1265 0.9956 1.0642 -0.1375 -0.0749 -0.0860 150 CYS b SG ? ? 1 +30268 C C . CYS V 149 0.1111 1.0077 1.0781 -0.1362 -0.0666 -0.0876 150 CYS b C ? ? 1 +30269 O O . CYS V 149 0.1106 0.9996 1.0746 -0.1415 -0.0584 -0.0856 150 CYS b O ? ? 1 +30270 N N . PHE V 150 0.1090 1.0226 1.0922 -0.1371 -0.0710 -0.0937 151 PHE b N ? ? 1 +30271 C CA . PHE V 150 0.1083 1.0333 1.1077 -0.1448 -0.0659 -0.0985 151 PHE b CA ? ? 1 +30272 C CB . PHE V 150 0.1081 1.0530 1.1250 -0.1432 -0.0727 -0.1050 151 PHE b CB ? ? 1 +30273 C CG . PHE V 150 0.1085 1.0675 1.1440 -0.1505 -0.0676 -0.1102 151 PHE b CG ? ? 1 +30274 C CD1 . PHE V 150 0.1153 1.0739 1.1555 -0.1605 -0.0647 -0.1142 151 PHE b CD1 ? ? 1 +30275 C CD2 . PHE V 150 0.1032 1.0754 1.1513 -0.1475 -0.0653 -0.1110 151 PHE b CD2 ? ? 1 +30276 C CE1 . PHE V 150 0.1166 1.0887 1.1745 -0.1676 -0.0598 -0.1193 151 PHE b CE1 ? ? 1 +30277 C CE2 . PHE V 150 0.1042 1.0902 1.1701 -0.1543 -0.0604 -0.1161 151 PHE b CE2 ? ? 1 +30278 C CZ . PHE V 150 0.1105 1.0963 1.1813 -0.1645 -0.0575 -0.1201 151 PHE b CZ ? ? 1 +30279 C C . PHE V 150 0.1023 1.0278 1.1046 -0.1452 -0.0571 -0.0955 151 PHE b C ? ? 1 +30280 O O . PHE V 150 0.1042 1.0260 1.1081 -0.1527 -0.0490 -0.0956 151 PHE b O ? ? 1 +30281 N N . GLY V 151 0.0951 1.0244 1.0973 -0.1368 -0.0586 -0.0927 152 GLY b N ? ? 1 +30282 C CA . GLY V 151 0.0909 1.0220 1.0965 -0.1361 -0.0512 -0.0901 152 GLY b CA ? ? 1 +30283 C C . GLY V 151 0.0929 1.0066 1.0841 -0.1386 -0.0432 -0.0844 152 GLY b C ? ? 1 +30284 O O . GLY V 151 0.0928 1.0066 1.0878 -0.1427 -0.0349 -0.0837 152 GLY b O ? ? 1 +30285 N N . PHE V 152 0.0943 0.9931 1.0688 -0.1357 -0.0458 -0.0801 153 PHE b N ? ? 1 +30286 C CA . PHE V 152 0.0963 0.9782 1.0565 -0.1380 -0.0394 -0.0749 153 PHE b CA ? ? 1 +30287 C CB . PHE V 152 0.0982 0.9665 1.0418 -0.1335 -0.0442 -0.0711 153 PHE b CB ? ? 1 +30288 C CG . PHE V 152 0.1015 0.9521 1.0297 -0.1352 -0.0385 -0.0659 153 PHE b CG ? ? 1 +30289 C CD1 . PHE V 152 0.0988 0.9444 1.0226 -0.1333 -0.0325 -0.0615 153 PHE b CD1 ? ? 1 +30290 C CD2 . PHE V 152 0.1080 0.9469 1.0257 -0.1383 -0.0395 -0.0653 153 PHE b CD2 ? ? 1 +30291 C CE1 . PHE V 152 0.1019 0.9313 1.0113 -0.1344 -0.0277 -0.0568 153 PHE b CE1 ? ? 1 +30292 C CE2 . PHE V 152 0.1104 0.9330 1.0137 -0.1393 -0.0346 -0.0605 153 PHE b CE2 ? ? 1 +30293 C CZ . PHE V 152 0.1075 0.9256 1.0069 -0.1373 -0.0288 -0.0563 153 PHE b CZ ? ? 1 +30294 C C . PHE V 152 0.1024 0.9805 1.0647 -0.1481 -0.0332 -0.0772 153 PHE b C ? ? 1 +30295 O O . PHE V 152 0.1035 0.9757 1.0634 -0.1517 -0.0249 -0.0750 153 PHE b O ? ? 1 +30296 N N . GLY V 153 0.1069 0.9876 1.0729 -0.1525 -0.0373 -0.0817 154 GLY b N ? ? 1 +30297 C CA . GLY V 153 0.1143 0.9923 1.0834 -0.1625 -0.0321 -0.0847 154 GLY b CA ? ? 1 +30298 C C . GLY V 153 0.1142 1.0045 1.0993 -0.1681 -0.0256 -0.0882 154 GLY b C ? ? 1 +30299 O O . GLY V 153 0.1180 1.0011 1.1007 -0.1743 -0.0171 -0.0870 154 GLY b O ? ? 1 +30300 N N . ALA V 154 0.1099 1.0185 1.1110 -0.1658 -0.0297 -0.0926 155 ALA b N ? ? 1 +30301 C CA . ALA V 154 0.1112 1.0336 1.1297 -0.1720 -0.0245 -0.0973 155 ALA b CA ? ? 1 +30302 C CB . ALA V 154 0.1080 1.0505 1.1440 -0.1699 -0.0319 -0.1035 155 ALA b CB ? ? 1 +30303 C C . ALA V 154 0.1083 1.0309 1.1280 -0.1706 -0.0164 -0.0941 155 ALA b C ? ? 1 +30304 O O . ALA V 154 0.1125 1.0393 1.1408 -0.1775 -0.0087 -0.0962 155 ALA b O ? ? 1 +30305 N N . PHE V 155 0.1020 1.0193 1.1123 -0.1620 -0.0177 -0.0888 156 PHE b N ? ? 1 +30306 C CA . PHE V 155 0.0976 1.0162 1.1092 -0.1594 -0.0112 -0.0860 156 PHE b CA ? ? 1 +30307 C CB . PHE V 155 0.0896 1.0204 1.1082 -0.1501 -0.0171 -0.0863 156 PHE b CB ? ? 1 +30308 C CG . PHE V 155 0.0882 1.0392 1.1261 -0.1506 -0.0221 -0.0932 156 PHE b CG ? ? 1 +30309 C CD1 . PHE V 155 0.0894 1.0532 1.1437 -0.1566 -0.0165 -0.0978 156 PHE b CD1 ? ? 1 +30310 C CD2 . PHE V 155 0.0858 1.0429 1.1253 -0.1449 -0.0324 -0.0951 156 PHE b CD2 ? ? 1 +30311 C CE1 . PHE V 155 0.0884 1.0717 1.1613 -0.1569 -0.0214 -0.1044 156 PHE b CE1 ? ? 1 +30312 C CE2 . PHE V 155 0.0858 1.0615 1.1428 -0.1449 -0.0375 -0.1015 156 PHE b CE2 ? ? 1 +30313 C CZ . PHE V 155 0.0864 1.0756 1.1606 -0.1510 -0.0321 -0.1063 156 PHE b CZ ? ? 1 +30314 C C . PHE V 155 0.0986 0.9982 1.0920 -0.1582 -0.0058 -0.0791 156 PHE b C ? ? 1 +30315 O O . PHE V 155 0.1002 0.9956 1.0926 -0.1620 0.0029 -0.0776 156 PHE b O ? ? 1 +30316 N N . HIS V 156 0.0978 0.9861 1.0767 -0.1528 -0.0109 -0.0751 157 HIS b N ? ? 1 +30317 C CA . HIS V 156 0.0981 0.9695 1.0603 -0.1507 -0.0067 -0.0687 157 HIS b CA ? ? 1 +30318 C CB . HIS V 156 0.0956 0.9590 1.0452 -0.1431 -0.0136 -0.0649 157 HIS b CB ? ? 1 +30319 C CG . HIS V 156 0.0967 0.9436 1.0298 -0.1407 -0.0097 -0.0585 157 HIS b CG ? ? 1 +30320 N ND1 . HIS V 156 0.1035 0.9367 1.0267 -0.1463 -0.0042 -0.0566 157 HIS b ND1 ? ? 1 +30321 C CE1 . HIS V 156 0.1025 0.9241 1.0126 -0.1419 -0.0024 -0.0511 157 HIS b CE1 ? ? 1 +30322 N NE2 . HIS V 156 0.0953 0.9224 1.0067 -0.1343 -0.0061 -0.0495 157 HIS b NE2 ? ? 1 +30323 C CD2 . HIS V 156 0.0920 0.9347 1.0174 -0.1333 -0.0108 -0.0541 157 HIS b CD2 ? ? 1 +30324 C C . HIS V 156 0.1060 0.9643 1.0600 -0.1588 -0.0005 -0.0679 157 HIS b C ? ? 1 +30325 O O . HIS V 156 0.1077 0.9586 1.0570 -0.1614 0.0074 -0.0652 157 HIS b O ? ? 1 +30326 N N . LEU V 157 0.1118 0.9665 1.0635 -0.1624 -0.0043 -0.0701 158 LEU b N ? ? 1 +30327 C CA . LEU V 157 0.1214 0.9615 1.0629 -0.1692 0.0005 -0.0689 158 LEU b CA ? ? 1 +30328 C CB . LEU V 157 0.1244 0.9601 1.0611 -0.1702 -0.0062 -0.0707 158 LEU b CB ? ? 1 +30329 C CG . LEU V 157 0.1194 0.9488 1.0446 -0.1618 -0.0132 -0.0670 158 LEU b CG ? ? 1 +30330 C CD1 . LEU V 157 0.1239 0.9484 1.0441 -0.1635 -0.0190 -0.0690 158 LEU b CD1 ? ? 1 +30331 C CD2 . LEU V 157 0.1184 0.9329 1.0285 -0.1585 -0.0090 -0.0606 158 LEU b CD2 ? ? 1 +30332 C C . LEU V 157 0.1304 0.9739 1.0810 -0.1785 0.0084 -0.0722 158 LEU b C ? ? 1 +30333 O O . LEU V 157 0.1363 0.9666 1.0774 -0.1829 0.0154 -0.0696 158 LEU b O ? ? 1 +30334 N N . THR V 158 0.1320 0.9930 1.1008 -0.1815 0.0072 -0.0781 159 THR b N ? ? 1 +30335 C CA . THR V 158 0.1401 1.0059 1.1191 -0.1904 0.0150 -0.0815 159 THR b CA ? ? 1 +30336 C CB . THR V 158 0.1390 1.0249 1.1385 -0.1936 0.0115 -0.0888 159 THR b CB ? ? 1 +30337 O OG1 . THR V 158 0.1305 1.0309 1.1397 -0.1861 0.0076 -0.0894 159 THR b OG1 ? ? 1 +30338 C CG2 . THR V 158 0.1415 1.0286 1.1418 -0.1953 0.0036 -0.0924 159 THR b CG2 ? ? 1 +30339 C C . THR V 158 0.1423 1.0074 1.1214 -0.1898 0.0234 -0.0787 159 THR b C ? ? 1 +30340 O O . THR V 158 0.1500 1.0127 1.1315 -0.1972 0.0318 -0.0797 159 THR b O ? ? 1 +30341 N N . GLY V 159 0.1383 1.0059 1.1151 -0.1811 0.0212 -0.0754 160 GLY b N ? ? 1 +30342 C CA . GLY V 159 0.1406 1.0101 1.1194 -0.1797 0.0283 -0.0734 160 GLY b CA ? ? 1 +30343 C C . GLY V 159 0.1418 1.0314 1.1408 -0.1806 0.0297 -0.0784 160 GLY b C ? ? 1 +30344 O O . GLY V 159 0.1425 1.0348 1.1439 -0.1790 0.0353 -0.0770 160 GLY b O ? ? 1 +30345 N N . LEU V 160 0.1453 1.0492 1.1588 -0.1831 0.0245 -0.0843 161 LEU b N ? ? 1 +30346 C CA . LEU V 160 0.1445 1.0691 1.1777 -0.1822 0.0239 -0.0891 161 LEU b CA ? ? 1 +30347 C CB . LEU V 160 0.1467 1.0854 1.1927 -0.1827 0.0150 -0.0951 161 LEU b CB ? ? 1 +30348 C CG . LEU V 160 0.1577 1.1054 1.2177 -0.1929 0.0176 -0.1015 161 LEU b CG ? ? 1 +30349 C CD1 . LEU V 160 0.1664 1.1093 1.2274 -0.2015 0.0299 -0.1013 161 LEU b CD1 ? ? 1 +30350 C CD2 . LEU V 160 0.1640 1.1043 1.2178 -0.1967 0.0118 -0.1031 161 LEU b CD2 ? ? 1 +30351 C C . LEU V 160 0.1359 1.0654 1.1691 -0.1723 0.0217 -0.0864 161 LEU b C ? ? 1 +30352 O O . LEU V 160 0.1338 1.0741 1.1779 -0.1718 0.0261 -0.0880 161 LEU b O ? ? 1 +30353 N N . PHE V 161 0.1313 1.0533 1.1527 -0.1645 0.0147 -0.0825 162 PHE b N ? ? 1 +30354 C CA . PHE V 161 0.1232 1.0469 1.1418 -0.1551 0.0126 -0.0793 162 PHE b CA ? ? 1 +30355 C CB . PHE V 161 0.1182 1.0609 1.1523 -0.1497 0.0054 -0.0836 162 PHE b CB ? ? 1 +30356 C CG . PHE V 161 0.1142 1.0593 1.1466 -0.1403 0.0039 -0.0807 162 PHE b CG ? ? 1 +30357 C CD1 . PHE V 161 0.1162 1.0584 1.1467 -0.1398 0.0119 -0.0781 162 PHE b CD1 ? ? 1 +30358 C CD2 . PHE V 161 0.1115 1.0609 1.1434 -0.1320 -0.0054 -0.0805 162 PHE b CD2 ? ? 1 +30359 C CE1 . PHE V 161 0.1127 1.0560 1.1407 -0.1312 0.0105 -0.0753 162 PHE b CE1 ? ? 1 +30360 C CE2 . PHE V 161 0.1086 1.0588 1.1378 -0.1234 -0.0066 -0.0776 162 PHE b CE2 ? ? 1 +30361 C CZ . PHE V 161 0.1083 1.0555 1.1358 -0.1232 0.0014 -0.0751 162 PHE b CZ ? ? 1 +30362 C C . PHE V 161 0.1206 1.0277 1.1200 -0.1498 0.0088 -0.0734 162 PHE b C ? ? 1 +30363 O O . PHE V 161 0.1174 1.0254 1.1141 -0.1446 0.0002 -0.0733 162 PHE b O ? ? 1 +30364 N N . GLY V 162 0.1220 1.0138 1.1079 -0.1514 0.0154 -0.0687 163 GLY b N ? ? 1 +30365 C CA . GLY V 162 0.1205 0.9953 1.0878 -0.1479 0.0132 -0.0632 163 GLY b CA ? ? 1 +30366 C C . GLY V 162 0.1270 0.9863 1.0829 -0.1541 0.0210 -0.0604 163 GLY b C ? ? 1 +30367 O O . GLY V 162 0.1335 0.9949 1.0957 -0.1616 0.0276 -0.0630 163 GLY b O ? ? 1 +30368 N N . PRO V 163 0.1258 0.9689 1.0644 -0.1512 0.0205 -0.0551 164 PRO b N ? ? 1 +30369 C CA . PRO V 163 0.1323 0.9597 1.0584 -0.1554 0.0278 -0.0517 164 PRO b CA ? ? 1 +30370 C CB . PRO V 163 0.1285 0.9446 1.0398 -0.1480 0.0254 -0.0459 164 PRO b CB ? ? 1 +30371 C CG . PRO V 163 0.1227 0.9434 1.0349 -0.1427 0.0158 -0.0466 164 PRO b CG ? ? 1 +30372 C CD . PRO V 163 0.1205 0.9597 1.0507 -0.1433 0.0127 -0.0522 164 PRO b CD ? ? 1 +30373 C C . PRO V 163 0.1408 0.9582 1.0608 -0.1623 0.0289 -0.0525 164 PRO b C ? ? 1 +30374 O O . PRO V 163 0.1470 0.9523 1.0581 -0.1667 0.0357 -0.0503 164 PRO b O ? ? 1 +30375 N N . GLY V 164 0.1420 0.9639 1.0659 -0.1630 0.0222 -0.0555 165 GLY b N ? ? 1 +30376 C CA . GLY V 164 0.1517 0.9632 1.0684 -0.1687 0.0221 -0.0561 165 GLY b CA ? ? 1 +30377 C C . GLY V 164 0.1536 0.9514 1.0541 -0.1636 0.0175 -0.0516 165 GLY b C ? ? 1 +30378 O O . GLY V 164 0.1459 0.9467 1.0447 -0.1560 0.0118 -0.0499 165 GLY b O ? ? 1 +30379 N N . MET V 165 0.1656 0.9483 1.0541 -0.1676 0.0203 -0.0499 166 MET b N ? ? 1 +30380 C CA . MET V 165 0.1686 0.9377 1.0414 -0.1630 0.0168 -0.0456 166 MET b CA ? ? 1 +30381 C CB . MET V 165 0.1732 0.9426 1.0456 -0.1635 0.0097 -0.0482 166 MET b CB ? ? 1 +30382 C CG . MET V 165 0.1863 0.9509 1.0593 -0.1725 0.0127 -0.0515 166 MET b CG ? ? 1 +30383 S SD . MET V 165 0.1945 0.9600 1.0679 -0.1737 0.0044 -0.0552 166 MET b SD ? ? 1 +30384 C CE . MET V 165 0.1983 0.9434 1.0502 -0.1696 0.0034 -0.0496 166 MET b CE ? ? 1 +30385 C C . MET V 165 0.1769 0.9285 1.0357 -0.1663 0.0234 -0.0421 166 MET b C ? ? 1 +30386 O O . MET V 165 0.1814 0.9310 1.0426 -0.1731 0.0302 -0.0435 166 MET b O ? ? 1 +30387 N N . TRP V 166 0.1770 0.9160 1.0212 -0.1616 0.0212 -0.0378 167 TRP b N ? ? 1 +30388 C CA . TRP V 166 0.1873 0.9091 1.0169 -0.1634 0.0264 -0.0342 167 TRP b CA ? ? 1 +30389 C CB . TRP V 166 0.1910 0.9026 1.0068 -0.1562 0.0226 -0.0294 167 TRP b CB ? ? 1 +30390 C CG . TRP V 166 0.2040 0.8984 1.0049 -0.1569 0.0277 -0.0254 167 TRP b CG ? ? 1 +30391 C CD1 . TRP V 166 0.2166 0.8982 1.0080 -0.1607 0.0293 -0.0252 167 TRP b CD1 ? ? 1 +30392 N NE1 . TRP V 166 0.2242 0.8918 1.0027 -0.1599 0.0341 -0.0211 167 TRP b NE1 ? ? 1 +30393 C CE2 . TRP V 166 0.2187 0.8903 0.9986 -0.1560 0.0359 -0.0189 167 TRP b CE2 ? ? 1 +30394 C CZ2 . TRP V 166 0.2252 0.8868 0.9949 -0.1538 0.0404 -0.0148 167 TRP b CZ2 ? ? 1 +30395 C CH2 . TRP V 166 0.2184 0.8871 0.9921 -0.1498 0.0411 -0.0135 167 TRP b CH2 ? ? 1 +30396 C CZ3 . TRP V 166 0.2075 0.8925 0.9950 -0.1479 0.0377 -0.0160 167 TRP b CZ3 ? ? 1 +30397 C CE3 . TRP V 166 0.2029 0.8978 1.0005 -0.1500 0.0332 -0.0199 167 TRP b CE3 ? ? 1 +30398 C CD2 . TRP V 166 0.2072 0.8954 1.0010 -0.1541 0.0321 -0.0214 167 TRP b CD2 ? ? 1 +30399 C C . TRP V 166 0.1964 0.9109 1.0237 -0.1709 0.0283 -0.0367 167 TRP b C ? ? 1 +30400 O O . TRP V 166 0.1996 0.9169 1.0295 -0.1718 0.0230 -0.0394 167 TRP b O ? ? 1 +30401 N N . VAL V 167 0.2036 0.9085 1.0256 -0.1764 0.0361 -0.0358 168 VAL b N ? ? 1 +30402 C CA . VAL V 167 0.2130 0.9090 1.0315 -0.1840 0.0390 -0.0379 168 VAL b CA ? ? 1 +30403 C CB . VAL V 167 0.2151 0.9219 1.0485 -0.1924 0.0425 -0.0434 168 VAL b CB ? ? 1 +30404 C CG1 . VAL V 167 0.2059 0.9311 1.0549 -0.1910 0.0357 -0.0478 168 VAL b CG1 ? ? 1 +30405 C CG2 . VAL V 167 0.2167 0.9251 1.0536 -0.1952 0.0507 -0.0427 168 VAL b CG2 ? ? 1 +30406 C C . VAL V 167 0.2216 0.8997 1.0248 -0.1850 0.0456 -0.0337 168 VAL b C ? ? 1 +30407 O O . VAL V 167 0.2187 0.8947 1.0179 -0.1814 0.0487 -0.0303 168 VAL b O ? ? 1 +30408 N N . SER V 168 0.2338 0.8990 1.0284 -0.1899 0.0478 -0.0340 169 SER b N ? ? 1 +30409 C CA . SER V 168 0.2464 0.8931 1.0247 -0.1900 0.0531 -0.0298 169 SER b CA ? ? 1 +30410 C CB . SER V 168 0.2432 0.8815 1.0088 -0.1815 0.0483 -0.0253 169 SER b CB ? ? 1 +30411 O OG . SER V 168 0.2526 0.8743 1.0031 -0.1806 0.0532 -0.0211 169 SER b OG ? ? 1 +30412 C C . SER V 168 0.2624 0.8969 1.0345 -0.1975 0.0567 -0.0314 169 SER b C ? ? 1 +30413 O O . SER V 168 0.2716 0.9104 1.0499 -0.2014 0.0534 -0.0354 169 SER b O ? ? 1 +30414 N N . ASP V 169 0.2736 0.8923 1.0331 -0.1995 0.0634 -0.0284 170 ASP b N ? ? 1 +30415 C CA . ASP V 169 0.2883 0.8920 1.0384 -0.2056 0.0669 -0.0290 170 ASP b CA ? ? 1 +30416 C CB . ASP V 169 0.3004 0.8882 1.0374 -0.2072 0.0751 -0.0253 170 ASP b CB ? ? 1 +30417 C CG . ASP V 169 0.3016 0.8782 1.0235 -0.1986 0.0731 -0.0198 170 ASP b CG ? ? 1 +30418 O OD1 . ASP V 169 0.2924 0.8768 1.0171 -0.1924 0.0713 -0.0177 170 ASP b OD1 ? ? 1 +30419 O OD2 . ASP V 169 0.3129 0.8737 1.0208 -0.1977 0.0728 -0.0178 170 ASP b OD2 ? ? 1 +30420 C C . ASP V 169 0.2899 0.8849 1.0300 -0.2013 0.0606 -0.0278 170 ASP b C ? ? 1 +30421 O O . ASP V 169 0.2797 0.8776 1.0173 -0.1933 0.0548 -0.0254 170 ASP b O ? ? 1 +30422 N N . PRO V 170 0.3019 0.8852 1.0352 -0.2065 0.0617 -0.0294 171 PRO b N ? ? 1 +30423 C CA . PRO V 170 0.3044 0.8798 1.0287 -0.2029 0.0558 -0.0288 171 PRO b CA ? ? 1 +30424 C CB . PRO V 170 0.3206 0.8840 1.0400 -0.2112 0.0595 -0.0314 171 PRO b CB ? ? 1 +30425 C CG . PRO V 170 0.3232 0.8939 1.0539 -0.2196 0.0655 -0.0346 171 PRO b CG ? ? 1 +30426 C CD . PRO V 170 0.3160 0.8926 1.0496 -0.2163 0.0690 -0.0318 171 PRO b CD ? ? 1 +30427 C C . PRO V 170 0.3045 0.8670 1.0129 -0.1948 0.0545 -0.0234 171 PRO b C ? ? 1 +30428 O O . PRO V 170 0.3056 0.8622 1.0069 -0.1913 0.0496 -0.0229 171 PRO b O ? ? 1 +30429 N N . TYR V 171 0.3048 0.8625 1.0073 -0.1920 0.0589 -0.0195 172 TYR b N ? ? 1 +30430 C CA . TYR V 171 0.3058 0.8516 0.9935 -0.1845 0.0579 -0.0145 172 TYR b CA ? ? 1 +30431 C CB . TYR V 171 0.3231 0.8497 0.9961 -0.1873 0.0651 -0.0119 172 TYR b CB ? ? 1 +30432 C CG . TYR V 171 0.3374 0.8523 1.0045 -0.1933 0.0665 -0.0141 172 TYR b CG ? ? 1 +30433 C CD1 . TYR V 171 0.3408 0.8466 0.9984 -0.1896 0.0619 -0.0134 172 TYR b CD1 ? ? 1 +30434 C CD2 . TYR V 171 0.3470 0.8608 1.0190 -0.2028 0.0722 -0.0173 172 TYR b CD2 ? ? 1 +30435 C CE1 . TYR V 171 0.3540 0.8488 1.0060 -0.1950 0.0629 -0.0156 172 TYR b CE1 ? ? 1 +30436 C CE2 . TYR V 171 0.3601 0.8632 1.0269 -0.2087 0.0733 -0.0197 172 TYR b CE2 ? ? 1 +30437 C CZ . TYR V 171 0.3633 0.8567 1.0199 -0.2046 0.0685 -0.0188 172 TYR b CZ ? ? 1 +30438 O OH . TYR V 171 0.3787 0.8610 1.0297 -0.2101 0.0695 -0.0212 172 TYR b OH ? ? 1 +30439 C C . TYR V 171 0.2925 0.8478 0.9837 -0.1773 0.0558 -0.0117 172 TYR b C ? ? 1 +30440 O O . TYR V 171 0.2959 0.8424 0.9759 -0.1714 0.0557 -0.0075 172 TYR b O ? ? 1 +30441 N N . GLY V 172 0.2789 0.8522 0.9857 -0.1777 0.0535 -0.0143 173 GLY b N ? ? 1 +30442 C CA . GLY V 172 0.2635 0.8470 0.9749 -0.1709 0.0506 -0.0122 173 GLY b CA ? ? 1 +30443 C C . GLY V 172 0.2663 0.8437 0.9709 -0.1690 0.0560 -0.0086 173 GLY b C ? ? 1 +30444 O O . GLY V 172 0.2588 0.8353 0.9583 -0.1619 0.0536 -0.0053 173 GLY b O ? ? 1 +30445 N N . LEU V 173 0.2772 0.8504 0.9819 -0.1755 0.0634 -0.0094 174 LEU b N ? ? 1 +30446 C CA . LEU V 173 0.2832 0.8492 0.9805 -0.1745 0.0692 -0.0062 174 LEU b CA ? ? 1 +30447 C CB . LEU V 173 0.2992 0.8485 0.9856 -0.1806 0.0763 -0.0057 174 LEU b CB ? ? 1 +30448 C CG . LEU V 173 0.3083 0.8403 0.9788 -0.1784 0.0748 -0.0034 174 LEU b CG ? ? 1 +30449 C CD1 . LEU V 173 0.3255 0.8401 0.9840 -0.1837 0.0822 -0.0024 174 LEU b CD1 ? ? 1 +30450 C CD2 . LEU V 173 0.3041 0.8312 0.9646 -0.1690 0.0709 0.0009 174 LEU b CD2 ? ? 1 +30451 C C . LEU V 173 0.2799 0.8599 0.9896 -0.1755 0.0720 -0.0074 174 LEU b C ? ? 1 +30452 O O . LEU V 173 0.2792 0.8583 0.9850 -0.1711 0.0734 -0.0045 174 LEU b O ? ? 1 +30453 N N . THR V 174 0.2809 0.8739 1.0056 -0.1811 0.0725 -0.0119 175 THR b N ? ? 1 +30454 C CA . THR V 174 0.2779 0.8833 1.0146 -0.1835 0.0764 -0.0136 175 THR b CA ? ? 1 +30455 C CB . THR V 174 0.2921 0.8927 1.0300 -0.1926 0.0844 -0.0158 175 THR b CB ? ? 1 +30456 O OG1 . THR V 174 0.2963 0.8993 1.0401 -0.1981 0.0821 -0.0197 175 THR b OG1 ? ? 1 +30457 C CG2 . THR V 174 0.3075 0.8877 1.0275 -0.1935 0.0904 -0.0120 175 THR b CG2 ? ? 1 +30458 C C . THR V 174 0.2644 0.8900 1.0186 -0.1822 0.0709 -0.0171 175 THR b C ? ? 1 +30459 O O . THR V 174 0.2671 0.9042 1.0346 -0.1872 0.0736 -0.0207 175 THR b O ? ? 1 +30460 N N . GLY V 175 0.2539 0.8838 1.0080 -0.1754 0.0631 -0.0161 176 GLY b N ? ? 1 +30461 C CA . GLY V 175 0.2408 0.8885 1.0098 -0.1735 0.0571 -0.0192 176 GLY b CA ? ? 1 +30462 C C . GLY V 175 0.2323 0.8934 1.0122 -0.1717 0.0587 -0.0198 176 GLY b C ? ? 1 +30463 O O . GLY V 175 0.2357 0.8922 1.0096 -0.1689 0.0623 -0.0166 176 GLY b O ? ? 1 +30464 N N . SER V 176 0.2222 0.8999 1.0181 -0.1732 0.0559 -0.0239 177 SER b N ? ? 1 +30465 C CA . SER V 176 0.2096 0.9014 1.0171 -0.1710 0.0565 -0.0249 177 SER b CA ? ? 1 +30466 C CB . SER V 176 0.2177 0.9098 1.0289 -0.1768 0.0654 -0.0260 177 SER b CB ? ? 1 +30467 O OG . SER V 176 0.2238 0.9190 1.0428 -0.1852 0.0682 -0.0303 177 SER b OG ? ? 1 +30468 C C . SER V 176 0.1965 0.9052 1.0195 -0.1709 0.0505 -0.0294 177 SER b C ? ? 1 +30469 O O . SER V 176 0.1983 0.9073 1.0231 -0.1738 0.0470 -0.0319 177 SER b O ? ? 1 +30470 N N . VAL V 177 0.1825 0.9050 1.0162 -0.1674 0.0491 -0.0304 178 VAL b N ? ? 1 +30471 C CA . VAL V 177 0.1719 0.9115 1.0216 -0.1677 0.0442 -0.0349 178 VAL b CA ? ? 1 +30472 C CB . VAL V 177 0.1599 0.9097 1.0148 -0.1598 0.0398 -0.0339 178 VAL b CB ? ? 1 +30473 C CG1 . VAL V 177 0.1526 0.9209 1.0248 -0.1600 0.0353 -0.0389 178 VAL b CG1 ? ? 1 +30474 C CG2 . VAL V 177 0.1564 0.8979 0.9991 -0.1527 0.0339 -0.0299 178 VAL b CG2 ? ? 1 +30475 C C . VAL V 177 0.1739 0.9215 1.0358 -0.1756 0.0502 -0.0392 178 VAL b C ? ? 1 +30476 O O . VAL V 177 0.1749 0.9227 1.0380 -0.1770 0.0570 -0.0385 178 VAL b O ? ? 1 +30477 N N . GLN V 178 0.1738 0.9275 1.0442 -0.1807 0.0478 -0.0437 179 GLN b N ? ? 1 +30478 C CA . GLN V 178 0.1768 0.9398 1.0606 -0.1887 0.0525 -0.0486 179 GLN b CA ? ? 1 +30479 C CB . GLN V 178 0.1909 0.9415 1.0681 -0.1972 0.0575 -0.0494 179 GLN b CB ? ? 1 +30480 C CG . GLN V 178 0.2023 0.9348 1.0639 -0.1989 0.0651 -0.0450 179 GLN b CG ? ? 1 +30481 C CD . GLN V 178 0.2080 0.9426 1.0730 -0.2012 0.0738 -0.0445 179 GLN b CD ? ? 1 +30482 O OE1 . GLN V 178 0.2132 0.9577 1.0912 -0.2075 0.0787 -0.0485 179 GLN b OE1 ? ? 1 +30483 N NE2 . GLN V 178 0.2102 0.9349 1.0630 -0.1961 0.0761 -0.0395 179 GLN b NE2 ? ? 1 +30484 C C . GLN V 178 0.1684 0.9483 1.0678 -0.1889 0.0456 -0.0539 179 GLN b C ? ? 1 +30485 O O . GLN V 178 0.1632 0.9425 1.0597 -0.1857 0.0380 -0.0540 179 GLN b O ? ? 1 +30486 N N . PRO V 179 0.1660 0.9611 1.0823 -0.1932 0.0483 -0.0586 180 PRO b N ? ? 1 +30487 C CA . PRO V 179 0.1618 0.9721 1.0933 -0.1954 0.0425 -0.0644 180 PRO b CA ? ? 1 +30488 C CB . PRO V 179 0.1623 0.9877 1.1108 -0.1996 0.0480 -0.0684 180 PRO b CB ? ? 1 +30489 C CG . PRO V 179 0.1696 0.9835 1.1098 -0.2031 0.0583 -0.0652 180 PRO b CG ? ? 1 +30490 C CD . PRO V 179 0.1685 0.9667 1.0901 -0.1964 0.0572 -0.0587 180 PRO b CD ? ? 1 +30491 C C . PRO V 179 0.1694 0.9716 1.0969 -0.2021 0.0417 -0.0665 180 PRO b C ? ? 1 +30492 O O . PRO V 179 0.1792 0.9683 1.0980 -0.2080 0.0485 -0.0652 180 PRO b O ? ? 1 +30493 N N . VAL V 180 0.1664 0.9756 1.0992 -0.2012 0.0334 -0.0698 181 VAL b N ? ? 1 +30494 C CA . VAL V 180 0.1754 0.9772 1.1043 -0.2072 0.0318 -0.0722 181 VAL b CA ? ? 1 +30495 C CB . VAL V 180 0.1738 0.9629 1.0871 -0.2017 0.0254 -0.0686 181 VAL b CB ? ? 1 +30496 C CG1 . VAL V 180 0.1819 0.9644 1.0919 -0.2075 0.0231 -0.0716 181 VAL b CG1 ? ? 1 +30497 C CG2 . VAL V 180 0.1759 0.9479 1.0716 -0.1979 0.0297 -0.0619 181 VAL b CG2 ? ? 1 +30498 C C . VAL V 180 0.1763 0.9955 1.1234 -0.2113 0.0275 -0.0792 181 VAL b C ? ? 1 +30499 O O . VAL V 180 0.1668 0.9994 1.1226 -0.2056 0.0202 -0.0811 181 VAL b O ? ? 1 +30500 N N . ALA V 181 0.1891 1.0077 1.1414 -0.2212 0.0320 -0.0832 182 ALA b N ? ? 1 +30501 C CA . ALA V 181 0.1928 1.0273 1.1625 -0.2263 0.0283 -0.0904 182 ALA b CA ? ? 1 +30502 C CB . ALA V 181 0.2009 1.0361 1.1784 -0.2375 0.0368 -0.0940 182 ALA b CB ? ? 1 +30503 C C . ALA V 181 0.2002 1.0302 1.1642 -0.2256 0.0198 -0.0920 182 ALA b C ? ? 1 +30504 O O . ALA V 181 0.2070 1.0192 1.1544 -0.2257 0.0202 -0.0885 182 ALA b O ? ? 1 +30505 N N . PRO V 182 0.2006 1.0463 1.1779 -0.2247 0.0119 -0.0973 183 PRO b N ? ? 1 +30506 C CA . PRO V 182 0.2066 1.0482 1.1785 -0.2242 0.0037 -0.0992 183 PRO b CA ? ? 1 +30507 C CB . PRO V 182 0.2001 1.0629 1.1896 -0.2220 -0.0044 -0.1049 183 PRO b CB ? ? 1 +30508 C CG . PRO V 182 0.1966 1.0750 1.2040 -0.2259 0.0017 -0.1080 183 PRO b CG ? ? 1 +30509 C CD . PRO V 182 0.1945 1.0624 1.1921 -0.2240 0.0102 -0.1018 183 PRO b CD ? ? 1 +30510 C C . PRO V 182 0.2235 1.0546 1.1916 -0.2343 0.0075 -0.1017 183 PRO b C ? ? 1 +30511 O O . PRO V 182 0.2290 1.0640 1.2065 -0.2428 0.0143 -0.1049 183 PRO b O ? ? 1 +30512 N N . GLU V 183 0.2342 1.0516 1.1883 -0.2333 0.0032 -0.1004 184 GLU b N ? ? 1 +30513 C CA . GLU V 183 0.2488 1.0567 1.1992 -0.2422 0.0049 -0.1034 184 GLU b CA ? ? 1 +30514 C CB . GLU V 183 0.2585 1.0425 1.1866 -0.2411 0.0077 -0.0978 184 GLU b CB ? ? 1 +30515 C CG . GLU V 183 0.2735 1.0451 1.1950 -0.2493 0.0088 -0.1004 184 GLU b CG ? ? 1 +30516 C CD . GLU V 183 0.2847 1.0593 1.2168 -0.2609 0.0163 -0.1049 184 GLU b CD ? ? 1 +30517 O OE1 . GLU V 183 0.2885 1.0625 1.2225 -0.2633 0.0248 -0.1028 184 GLU b OE1 ? ? 1 +30518 O OE2 . GLU V 183 0.2915 1.0689 1.2297 -0.2678 0.0138 -0.1106 184 GLU b OE2 ? ? 1 +30519 C C . GLU V 183 0.2508 1.0687 1.2091 -0.2424 -0.0049 -0.1092 184 GLU b C ? ? 1 +30520 O O . GLU V 183 0.2466 1.0613 1.1965 -0.2353 -0.0127 -0.1077 184 GLU b O ? ? 1 +30521 N N . TRP V 184 0.2561 1.0863 1.2305 -0.2508 -0.0043 -0.1161 185 TRP b N ? ? 1 +30522 C CA . TRP V 184 0.2579 1.0999 1.2423 -0.2516 -0.0135 -0.1224 185 TRP b CA ? ? 1 +30523 C CB . TRP V 184 0.2541 1.1189 1.2623 -0.2559 -0.0133 -0.1288 185 TRP b CB ? ? 1 +30524 C CG . TRP V 184 0.2409 1.1192 1.2571 -0.2477 -0.0143 -0.1268 185 TRP b CG ? ? 1 +30525 C CD1 . TRP V 184 0.2374 1.1233 1.2630 -0.2492 -0.0066 -0.1260 185 TRP b CD1 ? ? 1 +30526 N NE1 . TRP V 184 0.2263 1.1228 1.2562 -0.2396 -0.0103 -0.1239 185 TRP b NE1 ? ? 1 +30527 C CE2 . TRP V 184 0.2216 1.1172 1.2446 -0.2318 -0.0205 -0.1232 185 TRP b CE2 ? ? 1 +30528 C CZ2 . TRP V 184 0.2120 1.1151 1.2352 -0.2210 -0.0273 -0.1211 185 TRP b CZ2 ? ? 1 +30529 C CH2 . TRP V 184 0.2108 1.1102 1.2255 -0.2151 -0.0368 -0.1208 185 TRP b CH2 ? ? 1 +30530 C CZ3 . TRP V 184 0.2190 1.1074 1.2248 -0.2195 -0.0396 -0.1224 185 TRP b CZ3 ? ? 1 +30531 C CE3 . TRP V 184 0.2285 1.1093 1.2340 -0.2301 -0.0330 -0.1246 185 TRP b CE3 ? ? 1 +30532 C CD2 . TRP V 184 0.2305 1.1148 1.2448 -0.2365 -0.0232 -0.1249 185 TRP b CD2 ? ? 1 +30533 C C . TRP V 184 0.2736 1.1031 1.2500 -0.2586 -0.0145 -0.1252 185 TRP b C ? ? 1 +30534 O O . TRP V 184 0.2762 1.1123 1.2574 -0.2591 -0.0227 -0.1301 185 TRP b O ? ? 1 +30535 N N . GLY V 185 0.2863 1.0971 1.2496 -0.2637 -0.0065 -0.1218 186 GLY b N ? ? 1 +30536 C CA . GLY V 185 0.3011 1.0971 1.2542 -0.2698 -0.0067 -0.1236 186 GLY b CA ? ? 1 +30537 C C . GLY V 185 0.3028 1.0829 1.2360 -0.2623 -0.0119 -0.1190 186 GLY b C ? ? 1 +30538 O O . GLY V 185 0.2881 1.0700 1.2165 -0.2523 -0.0161 -0.1149 186 GLY b O ? ? 1 +30539 N N . PRO V 186 0.3159 1.0804 1.2376 -0.2671 -0.0119 -0.1200 187 PRO b N ? ? 1 +30540 C CA . PRO V 186 0.3167 1.0669 1.2206 -0.2606 -0.0172 -0.1167 187 PRO b CA ? ? 1 +30541 C CB . PRO V 186 0.3335 1.0720 1.2318 -0.2693 -0.0168 -0.1207 187 PRO b CB ? ? 1 +30542 C CG . PRO V 186 0.3421 1.0815 1.2492 -0.2800 -0.0078 -0.1233 187 PRO b CG ? ? 1 +30543 C CD . PRO V 186 0.3318 1.0927 1.2582 -0.2793 -0.0071 -0.1250 187 PRO b CD ? ? 1 +30544 C C . PRO V 186 0.3143 1.0490 1.2011 -0.2539 -0.0128 -0.1084 187 PRO b C ? ? 1 +30545 O O . PRO V 186 0.3083 1.0349 1.1823 -0.2463 -0.0177 -0.1051 187 PRO b O ? ? 1 +30546 N N . ASP V 187 0.3151 1.0459 1.2017 -0.2568 -0.0035 -0.1053 188 ASP b N ? ? 1 +30547 C CA . ASP V 187 0.3121 1.0299 1.1841 -0.2505 0.0008 -0.0977 188 ASP b CA ? ? 1 +30548 C CB . ASP V 187 0.3223 1.0309 1.1915 -0.2568 0.0120 -0.0955 188 ASP b CB ? ? 1 +30549 C CG . ASP V 187 0.3298 1.0195 1.1795 -0.2513 0.0161 -0.0879 188 ASP b CG ? ? 1 +30550 O OD1 . ASP V 187 0.3366 1.0108 1.1713 -0.2496 0.0140 -0.0862 188 ASP b OD1 ? ? 1 +30551 O OD2 . ASP V 187 0.3293 1.0199 1.1789 -0.2485 0.0211 -0.0839 188 ASP b OD2 ? ? 1 +30552 C C . ASP V 187 0.2932 1.0229 1.1695 -0.2405 -0.0032 -0.0947 188 ASP b C ? ? 1 +30553 O O . ASP V 187 0.2907 1.0116 1.1553 -0.2336 -0.0018 -0.0886 188 ASP b O ? ? 1 +30554 N N . GLY V 188 0.2818 1.0316 1.1751 -0.2398 -0.0083 -0.0991 189 GLY b N ? ? 1 +30555 C CA . GLY V 188 0.2658 1.0272 1.1632 -0.2301 -0.0136 -0.0969 189 GLY b CA ? ? 1 +30556 C C . GLY V 188 0.2612 1.0142 1.1445 -0.2215 -0.0206 -0.0936 189 GLY b C ? ? 1 +30557 O O . GLY V 188 0.2503 1.0065 1.1313 -0.2128 -0.0232 -0.0898 189 GLY b O ? ? 1 +30558 N N . PHE V 189 0.2675 1.0098 1.1418 -0.2239 -0.0236 -0.0953 190 PHE b N ? ? 1 +30559 C CA . PHE V 189 0.2649 0.9980 1.1251 -0.2164 -0.0296 -0.0924 190 PHE b CA ? ? 1 +30560 C CB . PHE V 189 0.2709 1.0054 1.1322 -0.2191 -0.0368 -0.0980 190 PHE b CB ? ? 1 +30561 C CG . PHE V 189 0.2650 1.0207 1.1447 -0.2195 -0.0427 -0.1037 190 PHE b CG ? ? 1 +30562 C CD1 . PHE V 189 0.2550 1.0211 1.1376 -0.2107 -0.0497 -0.1028 190 PHE b CD1 ? ? 1 +30563 C CD2 . PHE V 189 0.2710 1.0363 1.1652 -0.2286 -0.0409 -0.1098 190 PHE b CD2 ? ? 1 +30564 C CE1 . PHE V 189 0.2515 1.0368 1.1506 -0.2105 -0.0552 -0.1078 190 PHE b CE1 ? ? 1 +30565 C CE2 . PHE V 189 0.2671 1.0527 1.1789 -0.2287 -0.0464 -0.1151 190 PHE b CE2 ? ? 1 +30566 C CZ . PHE V 189 0.2581 1.0535 1.1720 -0.2193 -0.0537 -0.1141 190 PHE b CZ ? ? 1 +30567 C C . PHE V 189 0.2675 0.9800 1.1091 -0.2146 -0.0244 -0.0865 190 PHE b C ? ? 1 +30568 O O . PHE V 189 0.2704 0.9731 1.0991 -0.2093 -0.0283 -0.0841 190 PHE b O ? ? 1 +30569 N N . ASN V 190 0.2683 0.9743 1.1084 -0.2191 -0.0156 -0.0842 191 ASN b N ? ? 1 +30570 C CA . ASN V 190 0.2713 0.9587 1.0945 -0.2170 -0.0103 -0.0784 191 ASN b CA ? ? 1 +30571 C CB . ASN V 190 0.2819 0.9614 1.1046 -0.2252 -0.0007 -0.0782 191 ASN b CB ? ? 1 +30572 C CG . ASN V 190 0.2914 0.9507 1.0960 -0.2233 0.0049 -0.0723 191 ASN b CG ? ? 1 +30573 O OD1 . ASN V 190 0.2884 0.9405 1.0815 -0.2150 0.0026 -0.0675 191 ASN b OD1 ? ? 1 +30574 N ND2 . ASN V 190 0.3030 0.9524 1.1047 -0.2310 0.0127 -0.0726 191 ASN b ND2 ? ? 1 +30575 C C . ASN V 190 0.2567 0.9467 1.0767 -0.2075 -0.0109 -0.0728 191 ASN b C ? ? 1 +30576 O O . ASN V 190 0.2475 0.9485 1.0775 -0.2067 -0.0085 -0.0722 191 ASN b O ? ? 1 +30577 N N . PRO V 191 0.2520 0.9317 1.0580 -0.2003 -0.0139 -0.0686 192 PRO b N ? ? 1 +30578 C CA . PRO V 191 0.2401 0.9227 1.0433 -0.1913 -0.0151 -0.0636 192 PRO b CA ? ? 1 +30579 C CB . PRO V 191 0.2431 0.9127 1.0305 -0.1854 -0.0186 -0.0604 192 PRO b CB ? ? 1 +30580 C CG . PRO V 191 0.2571 0.9124 1.0358 -0.1916 -0.0161 -0.0621 192 PRO b CG ? ? 1 +30581 C CD . PRO V 191 0.2611 0.9257 1.0533 -0.2004 -0.0158 -0.0684 192 PRO b CD ? ? 1 +30582 C C . PRO V 191 0.2375 0.9168 1.0395 -0.1916 -0.0073 -0.0596 192 PRO b C ? ? 1 +30583 O O . PRO V 191 0.2274 0.9141 1.0329 -0.1860 -0.0076 -0.0569 192 PRO b O ? ? 1 +30584 N N . TYR V 192 0.2469 0.9148 1.0438 -0.1982 -0.0004 -0.0594 193 TYR b N ? ? 1 +30585 C CA . TYR V 192 0.2474 0.9106 1.0420 -0.1991 0.0074 -0.0558 193 TYR b CA ? ? 1 +30586 C CB . TYR V 192 0.2613 0.9041 1.0403 -0.2020 0.0129 -0.0532 193 TYR b CB ? ? 1 +30587 C CG . TYR V 192 0.2637 0.8945 1.0277 -0.1951 0.0092 -0.0496 193 TYR b CG ? ? 1 +30588 C CD1 . TYR V 192 0.2566 0.8852 1.0139 -0.1870 0.0088 -0.0444 193 TYR b CD1 ? ? 1 +30589 C CD2 . TYR V 192 0.2727 0.8951 1.0296 -0.1966 0.0058 -0.0517 193 TYR b CD2 ? ? 1 +30590 C CE1 . TYR V 192 0.2579 0.8764 1.0023 -0.1807 0.0055 -0.0412 193 TYR b CE1 ? ? 1 +30591 C CE2 . TYR V 192 0.2739 0.8860 1.0176 -0.1901 0.0025 -0.0485 193 TYR b CE2 ? ? 1 +30592 C CZ . TYR V 192 0.2663 0.8765 1.0039 -0.1823 0.0026 -0.0433 193 TYR b CZ ? ? 1 +30593 O OH . TYR V 192 0.2668 0.8675 0.9919 -0.1759 -0.0005 -0.0403 193 TYR b OH ? ? 1 +30594 C C . TYR V 192 0.2463 0.9213 1.0558 -0.2056 0.0121 -0.0590 193 TYR b C ? ? 1 +30595 O O . TYR V 192 0.2552 0.9266 1.0631 -0.2069 0.0190 -0.0564 193 TYR b O ? ? 1 +30596 N N . ASN V 193 0.2391 0.9281 1.0630 -0.2097 0.0085 -0.0648 194 ASN b N ? ? 1 +30597 C CA . ASN V 193 0.2327 0.9351 1.0723 -0.2151 0.0125 -0.0681 194 ASN b CA ? ? 1 +30598 C CB . ASN V 193 0.2393 0.9490 1.0900 -0.2234 0.0110 -0.0748 194 ASN b CB ? ? 1 +30599 C CG . ASN V 193 0.2395 0.9601 1.1049 -0.2304 0.0171 -0.0780 194 ASN b CG ? ? 1 +30600 O OD1 . ASN V 193 0.2304 0.9617 1.1040 -0.2274 0.0189 -0.0769 194 ASN b OD1 ? ? 1 +30601 N ND2 . ASN V 193 0.2511 0.9686 1.1196 -0.2398 0.0206 -0.0820 194 ASN b ND2 ? ? 1 +30602 C C . ASN V 193 0.2152 0.9342 1.0654 -0.2084 0.0088 -0.0676 194 ASN b C ? ? 1 +30603 O O . ASN V 193 0.2080 0.9378 1.0648 -0.2048 0.0011 -0.0701 194 ASN b O ? ? 1 +30604 N N . PRO V 194 0.2070 0.9280 1.0586 -0.2064 0.0141 -0.0644 195 PRO b N ? ? 1 +30605 C CA . PRO V 194 0.1936 0.9298 1.0552 -0.2002 0.0111 -0.0639 195 PRO b CA ? ? 1 +30606 C CB . PRO V 194 0.1927 0.9249 1.0515 -0.1998 0.0190 -0.0600 195 PRO b CB ? ? 1 +30607 C CG . PRO V 194 0.2042 0.9173 1.0486 -0.2040 0.0251 -0.0574 195 PRO b CG ? ? 1 +30608 C CD . PRO V 194 0.2134 0.9220 1.0570 -0.2101 0.0234 -0.0612 195 PRO b CD ? ? 1 +30609 C C . PRO V 194 0.1895 0.9454 1.0705 -0.2034 0.0081 -0.0701 195 PRO b C ? ? 1 +30610 O O . PRO V 194 0.1802 0.9487 1.0687 -0.1974 0.0019 -0.0710 195 PRO b O ? ? 1 +30611 N N . GLY V 195 0.1957 0.9542 1.0851 -0.2127 0.0126 -0.0744 196 GLY b N ? ? 1 +30612 C CA . GLY V 195 0.1936 0.9710 1.1022 -0.2165 0.0100 -0.0808 196 GLY b CA ? ? 1 +30613 C C . GLY V 195 0.1904 0.9756 1.1030 -0.2136 -0.0002 -0.0844 196 GLY b C ? ? 1 +30614 O O . GLY V 195 0.1842 0.9871 1.1118 -0.2121 -0.0049 -0.0884 196 GLY b O ? ? 1 +30615 N N . GLY V 196 0.1944 0.9660 1.0933 -0.2127 -0.0036 -0.0831 197 GLY b N ? ? 1 +30616 C CA . GLY V 196 0.1914 0.9675 1.0906 -0.2088 -0.0134 -0.0856 197 GLY b CA ? ? 1 +30617 C C . GLY V 196 0.1792 0.9637 1.0794 -0.1985 -0.0195 -0.0831 197 GLY b C ? ? 1 +30618 O O . GLY V 196 0.1755 0.9710 1.0828 -0.1956 -0.0274 -0.0865 197 GLY b O ? ? 1 +30619 N N . VAL V 197 0.1734 0.9517 1.0655 -0.1930 -0.0160 -0.0772 198 VAL b N ? ? 1 +30620 C CA . VAL V 197 0.1627 0.9475 1.0548 -0.1835 -0.0209 -0.0744 198 VAL b CA ? ? 1 +30621 C CB . VAL V 197 0.1596 0.9331 1.0393 -0.1784 -0.0165 -0.0676 198 VAL b CB ? ? 1 +30622 C CG1 . VAL V 197 0.1495 0.9292 1.0289 -0.1687 -0.0218 -0.0649 198 VAL b CG1 ? ? 1 +30623 C CG2 . VAL V 197 0.1672 0.9213 1.0293 -0.1789 -0.0149 -0.0642 198 VAL b CG2 ? ? 1 +30624 C C . VAL V 197 0.1550 0.9595 1.0651 -0.1828 -0.0223 -0.0780 198 VAL b C ? ? 1 +30625 O O . VAL V 197 0.1482 0.9628 1.0634 -0.1768 -0.0295 -0.0791 198 VAL b O ? ? 1 +30626 N N . VAL V 198 0.1569 0.9666 1.0765 -0.1888 -0.0153 -0.0797 199 VAL b N ? ? 1 +30627 C CA . VAL V 198 0.1515 0.9805 1.0895 -0.1889 -0.0161 -0.0836 199 VAL b CA ? ? 1 +30628 C CB . VAL V 198 0.1544 0.9858 1.1000 -0.1958 -0.0063 -0.0844 199 VAL b CB ? ? 1 +30629 C CG1 . VAL V 198 0.1488 1.0011 1.1143 -0.1960 -0.0068 -0.0888 199 VAL b CG1 ? ? 1 +30630 C CG2 . VAL V 198 0.1533 0.9720 1.0864 -0.1929 0.0004 -0.0778 199 VAL b CG2 ? ? 1 +30631 C C . VAL V 198 0.1524 0.9940 1.1021 -0.1912 -0.0234 -0.0902 199 VAL b C ? ? 1 +30632 O O . VAL V 198 0.1460 1.0013 1.1048 -0.1858 -0.0299 -0.0923 199 VAL b O ? ? 1 +30633 N N . ALA V 199 0.1613 0.9974 1.1100 -0.1991 -0.0226 -0.0936 200 ALA b N ? ? 1 +30634 C CA . ALA V 199 0.1639 1.0112 1.1238 -0.2025 -0.0290 -0.1003 200 ALA b CA ? ? 1 +30635 C CB . ALA V 199 0.1758 1.0135 1.1322 -0.2122 -0.0261 -0.1032 200 ALA b CB ? ? 1 +30636 C C . ALA V 199 0.1601 1.0088 1.1148 -0.1945 -0.0394 -0.1002 200 ALA b C ? ? 1 +30637 O O . ALA V 199 0.1578 1.0215 1.1246 -0.1929 -0.0463 -0.1049 200 ALA b O ? ? 1 +30638 N N . HIS V 200 0.1593 0.9922 1.0961 -0.1895 -0.0404 -0.0948 201 HIS b N ? ? 1 +30639 C CA . HIS V 200 0.1565 0.9881 1.0859 -0.1818 -0.0494 -0.0938 201 HIS b CA ? ? 1 +30640 C CB . HIS V 200 0.1570 0.9702 1.0663 -0.1768 -0.0483 -0.0872 201 HIS b CB ? ? 1 +30641 C CG . HIS V 200 0.1526 0.9664 1.0556 -0.1677 -0.0566 -0.0855 201 HIS b CG ? ? 1 +30642 N ND1 . HIS V 200 0.1442 0.9620 1.0467 -0.1597 -0.0578 -0.0818 201 HIS b ND1 ? ? 1 +30643 C CE1 . HIS V 200 0.1432 0.9603 1.0396 -0.1533 -0.0654 -0.0813 201 HIS b CE1 ? ? 1 +30644 N NE2 . HIS V 200 0.1509 0.9637 1.0436 -0.1567 -0.0692 -0.0846 201 HIS b NE2 ? ? 1 +30645 C CD2 . HIS V 200 0.1568 0.9679 1.0542 -0.1658 -0.0639 -0.0874 201 HIS b CD2 ? ? 1 +30646 C C . HIS V 200 0.1468 0.9931 1.0851 -0.1740 -0.0546 -0.0940 201 HIS b C ? ? 1 +30647 O O . HIS V 200 0.1471 1.0021 1.0901 -0.1709 -0.0628 -0.0975 201 HIS b O ? ? 1 +30648 N N . HIS V 201 0.1396 0.9875 1.0789 -0.1704 -0.0498 -0.0901 202 HIS b N ? ? 1 +30649 C CA . HIS V 201 0.1308 0.9907 1.0768 -0.1624 -0.0542 -0.0895 202 HIS b CA ? ? 1 +30650 C CB . HIS V 201 0.1248 0.9801 1.0661 -0.1587 -0.0479 -0.0838 202 HIS b CB ? ? 1 +30651 C CG . HIS V 201 0.1255 0.9630 1.0478 -0.1548 -0.0469 -0.0776 202 HIS b CG ? ? 1 +30652 N ND1 . HIS V 201 0.1225 0.9569 1.0361 -0.1469 -0.0536 -0.0751 202 HIS b ND1 ? ? 1 +30653 C CE1 . HIS V 201 0.1246 0.9431 1.0228 -0.1456 -0.0507 -0.0701 202 HIS b CE1 ? ? 1 +30654 N NE2 . HIS V 201 0.1286 0.9396 1.0245 -0.1519 -0.0429 -0.0691 202 HIS b NE2 ? ? 1 +30655 C CD2 . HIS V 201 0.1292 0.9518 1.0401 -0.1580 -0.0403 -0.0738 202 HIS b CD2 ? ? 1 +30656 C C . HIS V 201 0.1292 1.0093 1.0953 -0.1646 -0.0570 -0.0961 202 HIS b C ? ? 1 +30657 O O . HIS V 201 0.1252 1.0156 1.0967 -0.1586 -0.0647 -0.0980 202 HIS b O ? ? 1 +30658 N N . ILE V 202 0.1328 1.0183 1.1099 -0.1731 -0.0509 -0.0996 203 ILE b N ? ? 1 +30659 C CA . ILE V 202 0.1328 1.0380 1.1300 -0.1760 -0.0533 -0.1063 203 ILE b CA ? ? 1 +30660 C CB . ILE V 202 0.1363 1.0453 1.1442 -0.1862 -0.0444 -0.1093 203 ILE b CB ? ? 1 +30661 C CG1 . ILE V 202 0.1316 1.0386 1.1390 -0.1850 -0.0357 -0.1048 203 ILE b CG1 ? ? 1 +30662 C CG2 . ILE V 202 0.1369 1.0664 1.1663 -0.1906 -0.0476 -0.1173 203 ILE b CG2 ? ? 1 +30663 C CD1 . ILE V 202 0.1373 1.0402 1.1473 -0.1945 -0.0256 -0.1054 203 ILE b CD1 ? ? 1 +30664 C C . ILE V 202 0.1380 1.0485 1.1381 -0.1761 -0.0629 -0.1114 203 ILE b C ? ? 1 +30665 O O . ILE V 202 0.1346 1.0587 1.1436 -0.1706 -0.0703 -0.1143 203 ILE b O ? ? 1 +30666 N N . ALA V 203 0.1469 1.0461 1.1387 -0.1819 -0.0628 -0.1124 204 ALA b N ? ? 1 +30667 C CA . ALA V 203 0.1533 1.0568 1.1479 -0.1834 -0.0712 -0.1178 204 ALA b CA ? ? 1 +30668 C CB . ALA V 203 0.1634 1.0536 1.1499 -0.1919 -0.0682 -0.1190 204 ALA b CB ? ? 1 +30669 C C . ALA V 203 0.1520 1.0530 1.1367 -0.1737 -0.0805 -0.1158 204 ALA b C ? ? 1 +30670 O O . ALA V 203 0.1522 1.0655 1.1454 -0.1709 -0.0889 -0.1204 204 ALA b O ? ? 1 +30671 N N . ALA V 204 0.1508 1.0359 1.1178 -0.1686 -0.0790 -0.1091 205 ALA b N ? ? 1 +30672 C CA . ALA V 204 0.1504 1.0313 1.1066 -0.1595 -0.0868 -0.1066 205 ALA b CA ? ? 1 +30673 C CB . ALA V 204 0.1499 1.0117 1.0864 -0.1559 -0.0833 -0.0993 205 ALA b CB ? ? 1 +30674 C C . ALA V 204 0.1434 1.0382 1.1083 -0.1515 -0.0911 -0.1065 205 ALA b C ? ? 1 +30675 O O . ALA V 204 0.1444 1.0429 1.1074 -0.1452 -0.0997 -0.1077 205 ALA b O ? ? 1 +30676 N N . GLY V 205 0.1380 1.0390 1.1109 -0.1513 -0.0850 -0.1049 206 GLY b N ? ? 1 +30677 C CA . GLY V 205 0.1322 1.0470 1.1147 -0.1442 -0.0883 -0.1052 206 GLY b CA ? ? 1 +30678 C C . GLY V 205 0.1342 1.0673 1.1331 -0.1446 -0.0957 -0.1126 206 GLY b C ? ? 1 +30679 O O . GLY V 205 0.1319 1.0719 1.1320 -0.1368 -0.1034 -0.1133 206 GLY b O ? ? 1 +30680 N N . ILE V 206 0.1395 1.0800 1.1507 -0.1537 -0.0934 -0.1183 207 ILE b N ? ? 1 +30681 C CA . ILE V 206 0.1432 1.1018 1.1710 -0.1548 -0.1002 -0.1258 207 ILE b CA ? ? 1 +30682 C CB . ILE V 206 0.1472 1.1131 1.1890 -0.1663 -0.0950 -0.1314 207 ILE b CB ? ? 1 +30683 C CG1 . ILE V 206 0.1421 1.1152 1.1947 -0.1685 -0.0860 -0.1303 207 ILE b CG1 ? ? 1 +30684 C CG2 . ILE V 206 0.1511 1.1330 1.2078 -0.1689 -0.1031 -0.1398 207 ILE b CG2 ? ? 1 +30685 C CD1 . ILE V 206 0.1475 1.1193 1.2063 -0.1800 -0.0774 -0.1327 207 ILE b CD1 ? ? 1 +30686 C C . ILE V 206 0.1498 1.1055 1.1698 -0.1511 -0.1106 -0.1277 207 ILE b C ? ? 1 +30687 O O . ILE V 206 0.1490 1.1170 1.1764 -0.1455 -0.1189 -0.1311 207 ILE b O ? ? 1 +30688 N N . VAL V 207 0.1571 1.0960 1.1617 -0.1540 -0.1099 -0.1256 208 VAL b N ? ? 1 +30689 C CA . VAL V 207 0.1634 1.0969 1.1581 -0.1505 -0.1189 -0.1269 208 VAL b CA ? ? 1 +30690 C CB . VAL V 207 0.1709 1.0858 1.1501 -0.1559 -0.1160 -0.1250 208 VAL b CB ? ? 1 +30691 C CG1 . VAL V 207 0.1760 1.0815 1.1403 -0.1501 -0.1242 -0.1241 208 VAL b CG1 ? ? 1 +30692 C CG2 . VAL V 207 0.1772 1.0956 1.1664 -0.1672 -0.1133 -0.1310 208 VAL b CG2 ? ? 1 +30693 C C . VAL V 207 0.1586 1.0902 1.1442 -0.1389 -0.1244 -0.1225 208 VAL b C ? ? 1 +30694 O O . VAL V 207 0.1628 1.0993 1.1479 -0.1337 -0.1337 -0.1251 208 VAL b O ? ? 1 +30695 N N . GLY V 208 0.1519 1.0766 1.1306 -0.1348 -0.1186 -0.1160 209 GLY b N ? ? 1 +30696 C CA . GLY V 208 0.1477 1.0701 1.1180 -0.1242 -0.1228 -0.1116 209 GLY b CA ? ? 1 +30697 C C . GLY V 208 0.1428 1.0832 1.1271 -0.1184 -0.1288 -0.1151 209 GLY b C ? ? 1 +30698 O O . GLY V 208 0.1433 1.0844 1.1222 -0.1103 -0.1366 -0.1146 209 GLY b O ? ? 1 +30699 N N . ILE V 209 0.1379 1.0925 1.1399 -0.1226 -0.1250 -0.1186 210 ILE b N ? ? 1 +30700 C CA . ILE V 209 0.1331 1.1062 1.1504 -0.1178 -0.1303 -0.1226 210 ILE b CA ? ? 1 +30701 C CB . ILE V 209 0.1289 1.1152 1.1646 -0.1236 -0.1232 -0.1255 210 ILE b CB ? ? 1 +30702 C CG1 . ILE V 209 0.1222 1.1010 1.1525 -0.1221 -0.1140 -0.1190 210 ILE b CG1 ? ? 1 +30703 C CG2 . ILE V 209 0.1270 1.1355 1.1822 -0.1202 -0.1291 -0.1315 210 ILE b CG2 ? ? 1 +30704 C CD1 . ILE V 209 0.1197 1.1063 1.1640 -0.1298 -0.1048 -0.1209 210 ILE b CD1 ? ? 1 +30705 C C . ILE V 209 0.1384 1.1191 1.1596 -0.1170 -0.1408 -0.1288 210 ILE b C ? ? 1 +30706 O O . ILE V 209 0.1385 1.1240 1.1585 -0.1085 -0.1490 -0.1292 210 ILE b O ? ? 1 +30707 N N . ILE V 210 0.1436 1.1240 1.1682 -0.1259 -0.1406 -0.1333 211 ILE b N ? ? 1 +30708 C CA . ILE V 210 0.1503 1.1394 1.1808 -0.1265 -0.1502 -0.1401 211 ILE b CA ? ? 1 +30709 C CB . ILE V 210 0.1573 1.1468 1.1943 -0.1384 -0.1473 -0.1452 211 ILE b CB ? ? 1 +30710 C CG1 . ILE V 210 0.1541 1.1577 1.2111 -0.1457 -0.1402 -0.1487 211 ILE b CG1 ? ? 1 +30711 C CG2 . ILE V 210 0.1659 1.1616 1.2060 -0.1392 -0.1577 -0.1520 211 ILE b CG2 ? ? 1 +30712 C CD1 . ILE V 210 0.1606 1.1635 1.2240 -0.1585 -0.1356 -0.1534 211 ILE b CD1 ? ? 1 +30713 C C . ILE V 210 0.1535 1.1313 1.1663 -0.1189 -0.1583 -0.1376 211 ILE b C ? ? 1 +30714 O O . ILE V 210 0.1542 1.1405 1.1695 -0.1119 -0.1675 -0.1402 211 ILE b O ? ? 1 +30715 N N . ALA V 211 0.1544 1.1130 1.1490 -0.1201 -0.1545 -0.1324 212 ALA b N ? ? 1 +30716 C CA . ALA V 211 0.1575 1.1033 1.1335 -0.1129 -0.1605 -0.1290 212 ALA b CA ? ? 1 +30717 C CB . ALA V 211 0.1590 1.0847 1.1177 -0.1158 -0.1539 -0.1233 212 ALA b CB ? ? 1 +30718 C C . ALA V 211 0.1520 1.1001 1.1243 -0.1017 -0.1642 -0.1252 212 ALA b C ? ? 1 +30719 O O . ALA V 211 0.1560 1.1043 1.1223 -0.0949 -0.1730 -0.1261 212 ALA b O ? ? 1 +30720 N N . GLY V 212 0.1439 1.0934 1.1196 -0.0999 -0.1574 -0.1210 213 GLY b N ? ? 1 +30721 C CA . GLY V 212 0.1403 1.0936 1.1151 -0.0900 -0.1602 -0.1180 213 GLY b CA ? ? 1 +30722 C C . GLY V 212 0.1435 1.1135 1.1303 -0.0850 -0.1699 -0.1239 213 GLY b C ? ? 1 +30723 O O . GLY V 212 0.1473 1.1145 1.1251 -0.0768 -0.1776 -0.1229 213 GLY b O ? ? 1 +30724 N N . LEU V 213 0.1424 1.1295 1.1495 -0.0901 -0.1694 -0.1299 214 LEU b N ? ? 1 +30725 C CA . LEU V 213 0.1457 1.1504 1.1664 -0.0861 -0.1783 -0.1362 214 LEU b CA ? ? 1 +30726 C CB . LEU V 213 0.1451 1.1680 1.1889 -0.0942 -0.1758 -0.1431 214 LEU b CB ? ? 1 +30727 C CG . LEU V 213 0.1376 1.1677 1.1933 -0.0963 -0.1664 -0.1414 214 LEU b CG ? ? 1 +30728 C CD1 . LEU V 213 0.1371 1.1863 1.2160 -0.1038 -0.1651 -0.1490 214 LEU b CD1 ? ? 1 +30729 C CD2 . LEU V 213 0.1333 1.1672 1.1886 -0.0855 -0.1680 -0.1379 214 LEU b CD2 ? ? 1 +30730 C C . LEU V 213 0.1549 1.1562 1.1672 -0.0838 -0.1886 -0.1393 214 LEU b C ? ? 1 +30731 O O . LEU V 213 0.1589 1.1657 1.1704 -0.0752 -0.1974 -0.1406 214 LEU b O ? ? 1 +30732 N N . PHE V 214 0.1591 1.1510 1.1646 -0.0912 -0.1874 -0.1405 215 PHE b N ? ? 1 +30733 C CA . PHE V 214 0.1680 1.1556 1.1647 -0.0897 -0.1966 -0.1435 215 PHE b CA ? ? 1 +30734 C CB . PHE V 214 0.1732 1.1498 1.1633 -0.0993 -0.1933 -0.1447 215 PHE b CB ? ? 1 +30735 C CG . PHE V 214 0.1835 1.1510 1.1594 -0.0968 -0.2018 -0.1462 215 PHE b CG ? ? 1 +30736 C CD1 . PHE V 214 0.1908 1.1694 1.1754 -0.0982 -0.2109 -0.1540 215 PHE b CD1 ? ? 1 +30737 C CD2 . PHE V 214 0.1864 1.1346 1.1404 -0.0928 -0.2008 -0.1400 215 PHE b CD2 ? ? 1 +30738 C CE1 . PHE V 214 0.2010 1.1707 1.1718 -0.0957 -0.2187 -0.1554 215 PHE b CE1 ? ? 1 +30739 C CE2 . PHE V 214 0.1959 1.1356 1.1366 -0.0903 -0.2083 -0.1413 215 PHE b CE2 ? ? 1 +30740 C CZ . PHE V 214 0.2038 1.1538 1.1524 -0.0916 -0.2172 -0.1489 215 PHE b CZ ? ? 1 +30741 C C . PHE V 214 0.1706 1.1457 1.1480 -0.0792 -0.2013 -0.1380 215 PHE b C ? ? 1 +30742 O O . PHE V 214 0.1768 1.1562 1.1522 -0.0728 -0.2112 -0.1409 215 PHE b O ? ? 1 +30743 N N . HIS V 215 0.1655 1.1254 1.1289 -0.0776 -0.1940 -0.1303 216 HIS b N ? ? 1 +30744 C CA . HIS V 215 0.1678 1.1146 1.1124 -0.0684 -0.1970 -0.1245 216 HIS b CA ? ? 1 +30745 C CB . HIS V 215 0.1634 1.0924 1.0934 -0.0702 -0.1876 -0.1169 216 HIS b CB ? ? 1 +30746 C CG . HIS V 215 0.1692 1.0846 1.0865 -0.0751 -0.1872 -0.1168 216 HIS b CG ? ? 1 +30747 N ND1 . HIS V 215 0.1777 1.0850 1.0811 -0.0703 -0.1947 -0.1170 216 HIS b ND1 ? ? 1 +30748 C CE1 . HIS V 215 0.1827 1.0799 1.0785 -0.0766 -0.1926 -0.1176 216 HIS b CE1 ? ? 1 +30749 N NE2 . HIS V 215 0.1776 1.0754 1.0812 -0.0850 -0.1842 -0.1176 216 HIS b NE2 ? ? 1 +30750 C CD2 . HIS V 215 0.1688 1.0783 1.0862 -0.0842 -0.1807 -0.1172 216 HIS b CD2 ? ? 1 +30751 C C . HIS V 215 0.1659 1.1201 1.1132 -0.0584 -0.2010 -0.1230 216 HIS b C ? ? 1 +30752 O O . HIS V 215 0.1695 1.1146 1.1022 -0.0502 -0.2053 -0.1193 216 HIS b O ? ? 1 +30753 N N . ILE V 216 0.1610 1.1310 1.1266 -0.0589 -0.1992 -0.1256 217 ILE b N ? ? 1 +30754 C CA . ILE V 216 0.1607 1.1393 1.1304 -0.0493 -0.2040 -0.1252 217 ILE b CA ? ? 1 +30755 C CB . ILE V 216 0.1504 1.1402 1.1357 -0.0506 -0.1970 -0.1248 217 ILE b CB ? ? 1 +30756 C CG1 . ILE V 216 0.1440 1.1195 1.1188 -0.0523 -0.1866 -0.1172 217 ILE b CG1 ? ? 1 +30757 C CG2 . ILE V 216 0.1497 1.1511 1.1420 -0.0409 -0.2029 -0.1259 217 ILE b CG2 ? ? 1 +30758 C CD1 . ILE V 216 0.1348 1.1188 1.1230 -0.0547 -0.1785 -0.1165 217 ILE b CD1 ? ? 1 +30759 C C . ILE V 216 0.1700 1.1606 1.1462 -0.0453 -0.2157 -0.1318 217 ILE b C ? ? 1 +30760 O O . ILE V 216 0.1740 1.1631 1.1426 -0.0356 -0.2225 -0.1304 217 ILE b O ? ? 1 +30761 N N . LEU V 217 0.1751 1.1765 1.1645 -0.0527 -0.2180 -0.1389 218 LEU b N ? ? 1 +30762 C CA . LEU V 217 0.1839 1.2004 1.1841 -0.0499 -0.2288 -0.1463 218 LEU b CA ? ? 1 +30763 C CB . LEU V 217 0.1814 1.2160 1.2050 -0.0590 -0.2267 -0.1535 218 LEU b CB ? ? 1 +30764 C CG . LEU V 217 0.1721 1.2184 1.2122 -0.0607 -0.2189 -0.1531 218 LEU b CG ? ? 1 +30765 C CD1 . LEU V 217 0.1704 1.2317 1.2316 -0.0716 -0.2156 -0.1600 218 LEU b CD1 ? ? 1 +30766 C CD2 . LEU V 217 0.1709 1.2295 1.2186 -0.0506 -0.2246 -0.1540 218 LEU b CD2 ? ? 1 +30767 C C . LEU V 217 0.1970 1.2057 1.1844 -0.0487 -0.2375 -0.1487 218 LEU b C ? ? 1 +30768 O O . LEU V 217 0.2062 1.2241 1.1973 -0.0432 -0.2479 -0.1534 218 LEU b O ? ? 1 +30769 N N . VAL V 218 0.2004 1.1927 1.1735 -0.0541 -0.2334 -0.1458 219 VAL b N ? ? 1 +30770 C CA . VAL V 218 0.2118 1.1957 1.1724 -0.0539 -0.2408 -0.1481 219 VAL b CA ? ? 1 +30771 C CB . VAL V 218 0.2145 1.1969 1.1792 -0.0657 -0.2376 -0.1521 219 VAL b CB ? ? 1 +30772 C CG1 . VAL V 218 0.2269 1.2014 1.1791 -0.0654 -0.2459 -0.1552 219 VAL b CG1 ? ? 1 +30773 C CG2 . VAL V 218 0.2115 1.2141 1.2011 -0.0729 -0.2369 -0.1593 219 VAL b CG2 ? ? 1 +30774 C C . VAL V 218 0.2164 1.1797 1.1522 -0.0474 -0.2405 -0.1408 219 VAL b C ? ? 1 +30775 O O . VAL V 218 0.2122 1.1617 1.1377 -0.0502 -0.2319 -0.1349 219 VAL b O ? ? 1 +30776 N N . ARG V 219 0.2254 1.1869 1.1517 -0.0385 -0.2503 -0.1414 220 ARG b N ? ? 1 +30777 C CA . ARG V 219 0.2313 1.1742 1.1341 -0.0319 -0.2512 -0.1352 220 ARG b CA ? ? 1 +30778 C CB . ARG V 219 0.2401 1.1856 1.1369 -0.0212 -0.2625 -0.1368 220 ARG b CB ? ? 1 +30779 C CG . ARG V 219 0.2348 1.1933 1.1431 -0.0141 -0.2645 -0.1368 220 ARG b CG ? ? 1 +30780 C CD . ARG V 219 0.2257 1.1772 1.1302 -0.0121 -0.2550 -0.1292 220 ARG b CD ? ? 1 +30781 N NE . ARG V 219 0.2291 1.1601 1.1103 -0.0077 -0.2529 -0.1220 220 ARG b NE ? ? 1 +30782 C CZ . ARG V 219 0.2231 1.1452 1.0968 -0.0046 -0.2459 -0.1149 220 ARG b CZ ? ? 1 +30783 N NH1 . ARG V 219 0.2124 1.1426 1.0990 -0.0060 -0.2395 -0.1136 220 ARG b NH1 ? ? 1 +30784 N NH2 . ARG V 219 0.2286 1.1330 1.0812 0.0001 -0.2453 -0.1091 220 ARG b NH2 ? ? 1 +30785 C C . ARG V 219 0.2390 1.1675 1.1283 -0.0378 -0.2497 -0.1350 220 ARG b C ? ? 1 +30786 O O . ARG V 219 0.2437 1.1778 1.1401 -0.0442 -0.2530 -0.1412 220 ARG b O ? ? 1 +30787 N N . PRO V 220 0.2403 1.1499 1.1101 -0.0356 -0.2448 -0.1279 221 PRO b N ? ? 1 +30788 C CA . PRO V 220 0.2485 1.1433 1.1037 -0.0400 -0.2436 -0.1272 221 PRO b CA ? ? 1 +30789 C CB . PRO V 220 0.2466 1.1237 1.0828 -0.0351 -0.2378 -0.1185 221 PRO b CB ? ? 1 +30790 C CG . PRO V 220 0.2359 1.1190 1.0801 -0.0318 -0.2330 -0.1147 221 PRO b CG ? ? 1 +30791 C CD . PRO V 220 0.2353 1.1371 1.0961 -0.0288 -0.2402 -0.1203 221 PRO b CD ? ? 1 +30792 C C . PRO V 220 0.2642 1.1578 1.1119 -0.0372 -0.2544 -0.1322 221 PRO b C ? ? 1 +30793 O O . PRO V 220 0.2700 1.1666 1.1139 -0.0286 -0.2625 -0.1329 221 PRO b O ? ? 1 +30794 N N . PRO V 221 0.2737 1.1620 1.1179 -0.0443 -0.2548 -0.1356 222 PRO b N ? ? 1 +30795 C CA . PRO V 221 0.2899 1.1739 1.1234 -0.0415 -0.2645 -0.1396 222 PRO b CA ? ? 1 +30796 C CB . PRO V 221 0.2930 1.1711 1.1255 -0.0516 -0.2615 -0.1427 222 PRO b CB ? ? 1 +30797 C CG . PRO V 221 0.2804 1.1644 1.1277 -0.0600 -0.2515 -0.1420 222 PRO b CG ? ? 1 +30798 C CD . PRO V 221 0.2687 1.1541 1.1181 -0.0550 -0.2459 -0.1358 222 PRO b CD ? ? 1 +30799 C C . PRO V 221 0.3007 1.1681 1.1110 -0.0326 -0.2660 -0.1336 222 PRO b C ? ? 1 +30800 O O . PRO V 221 0.2952 1.1497 1.0946 -0.0322 -0.2578 -0.1266 222 PRO b O ? ? 1 +30801 N N . GLN V 222 0.3168 1.1850 1.1200 -0.0253 -0.2766 -0.1363 223 GLN b N ? ? 1 +30802 C CA . GLN V 222 0.3315 1.1839 1.1120 -0.0168 -0.2790 -0.1313 223 GLN b CA ? ? 1 +30803 C CB . GLN V 222 0.3480 1.2032 1.1230 -0.0108 -0.2918 -0.1365 223 GLN b CB ? ? 1 +30804 C CG . GLN V 222 0.3621 1.1989 1.1113 -0.0034 -0.2949 -0.1325 223 GLN b CG ? ? 1 +30805 C CD . GLN V 222 0.3643 1.1984 1.1056 0.0072 -0.2966 -0.1275 223 GLN b CD ? ? 1 +30806 O OE1 . GLN V 222 0.3701 1.2124 1.1139 0.0141 -0.3060 -0.1307 223 GLN b OE1 ? ? 1 +30807 N NE2 . GLN V 222 0.3599 1.1820 1.0911 0.0088 -0.2876 -0.1195 223 GLN b NE2 ? ? 1 +30808 C C . GLN V 222 0.3391 1.1728 1.1027 -0.0207 -0.2724 -0.1274 223 GLN b C ? ? 1 +30809 O O . GLN V 222 0.3385 1.1589 1.0875 -0.0165 -0.2672 -0.1203 223 GLN b O ? ? 1 +30810 N N . ARG V 223 0.3472 1.1803 1.1133 -0.0288 -0.2726 -0.1321 224 ARG b N ? ? 1 +30811 C CA . ARG V 223 0.3554 1.1711 1.1052 -0.0322 -0.2676 -0.1293 224 ARG b CA ? ? 1 +30812 C CB . ARG V 223 0.3675 1.1844 1.1206 -0.0400 -0.2709 -0.1363 224 ARG b CB ? ? 1 +30813 C CG . ARG V 223 0.3872 1.2079 1.1365 -0.0354 -0.2833 -0.1420 224 ARG b CG ? ? 1 +30814 C CD . ARG V 223 0.4043 1.2205 1.1498 -0.0417 -0.2866 -0.1478 224 ARG b CD ? ? 1 +30815 N NE . ARG V 223 0.4206 1.2169 1.1423 -0.0389 -0.2855 -0.1441 224 ARG b NE ? ? 1 +30816 C CZ . ARG V 223 0.4413 1.2306 1.1510 -0.0380 -0.2927 -0.1482 224 ARG b CZ ? ? 1 +30817 N NH1 . ARG V 223 0.4441 1.2446 1.1625 -0.0392 -0.3026 -0.1562 224 ARG b NH1 ? ? 1 +30818 N NH2 . ARG V 223 0.4604 1.2310 1.1487 -0.0358 -0.2900 -0.1443 224 ARG b NH2 ? ? 1 +30819 C C . ARG V 223 0.3422 1.1506 1.0914 -0.0360 -0.2553 -0.1227 224 ARG b C ? ? 1 +30820 O O . ARG V 223 0.3460 1.1384 1.0781 -0.0342 -0.2507 -0.1175 224 ARG b O ? ? 1 +30821 N N . LEU V 224 0.3277 1.1479 1.0952 -0.0408 -0.2500 -0.1231 225 LEU b N ? ? 1 +30822 C CA . LEU V 224 0.3167 1.1311 1.0845 -0.0440 -0.2387 -0.1170 225 LEU b CA ? ? 1 +30823 C CB . LEU V 224 0.3051 1.1328 1.0941 -0.0521 -0.2338 -0.1198 225 LEU b CB ? ? 1 +30824 C CG . LEU V 224 0.3084 1.1392 1.1053 -0.0619 -0.2341 -0.1261 225 LEU b CG ? ? 1 +30825 C CD1 . LEU V 224 0.2967 1.1348 1.1095 -0.0700 -0.2256 -0.1262 225 LEU b CD1 ? ? 1 +30826 C CD2 . LEU V 224 0.3177 1.1317 1.0977 -0.0646 -0.2324 -0.1252 225 LEU b CD2 ? ? 1 +30827 C C . LEU V 224 0.3132 1.1238 1.0744 -0.0358 -0.2361 -0.1101 225 LEU b C ? ? 1 +30828 O O . LEU V 224 0.3111 1.1098 1.0621 -0.0354 -0.2285 -0.1038 225 LEU b O ? ? 1 +30829 N N . TYR V 225 0.3161 1.1370 1.0832 -0.0291 -0.2425 -0.1114 226 TYR b N ? ? 1 +30830 C CA . TYR V 225 0.3151 1.1324 1.0755 -0.0209 -0.2410 -0.1053 226 TYR b CA ? ? 1 +30831 C CB . TYR V 225 0.3137 1.1443 1.0827 -0.0140 -0.2498 -0.1084 226 TYR b CB ? ? 1 +30832 C CG . TYR V 225 0.3055 1.1341 1.0702 -0.0058 -0.2480 -0.1026 226 TYR b CG ? ? 1 +30833 C CD1 . TYR V 225 0.3112 1.1257 1.0559 0.0018 -0.2497 -0.0978 226 TYR b CD1 ? ? 1 +30834 C CD2 . TYR V 225 0.2920 1.1322 1.0723 -0.0060 -0.2445 -0.1018 226 TYR b CD2 ? ? 1 +30835 C CE1 . TYR V 225 0.3062 1.1181 1.0467 0.0090 -0.2479 -0.0925 226 TYR b CE1 ? ? 1 +30836 C CE2 . TYR V 225 0.2875 1.1253 1.0636 0.0014 -0.2429 -0.0965 226 TYR b CE2 ? ? 1 +30837 C CZ . TYR V 225 0.2948 1.1183 1.0510 0.0088 -0.2447 -0.0919 226 TYR b CZ ? ? 1 +30838 O OH . TYR V 225 0.2912 1.1118 1.0432 0.0157 -0.2428 -0.0868 226 TYR b OH ? ? 1 +30839 C C . TYR V 225 0.3333 1.1321 1.0703 -0.0156 -0.2406 -0.1002 226 TYR b C ? ? 1 +30840 O O . TYR V 225 0.3274 1.1169 1.0561 -0.0134 -0.2337 -0.0935 226 TYR b O ? ? 1 +30841 N N . LYS V 226 0.3570 1.1506 1.0834 -0.0140 -0.2479 -0.1037 227 LYS b N ? ? 1 +30842 C CA . LYS V 226 0.3802 1.1565 1.0840 -0.0089 -0.2481 -0.0995 227 LYS b CA ? ? 1 +30843 C CB . LYS V 226 0.4117 1.1866 1.1072 -0.0057 -0.2586 -0.1047 227 LYS b CB ? ? 1 +30844 C CG . LYS V 226 0.4401 1.2024 1.1149 0.0038 -0.2621 -0.1007 227 LYS b CG ? ? 1 +30845 C CD . LYS V 226 0.4697 1.2326 1.1375 0.0078 -0.2739 -0.1064 227 LYS b CD ? ? 1 +30846 C CE . LYS V 226 0.4865 1.2397 1.1442 0.0029 -0.2744 -0.1092 227 LYS b CE ? ? 1 +30847 N NZ . LYS V 226 0.5003 1.2593 1.1586 0.0039 -0.2859 -0.1168 227 LYS b NZ ? ? 1 +30848 C C . LYS V 226 0.3751 1.1383 1.0702 -0.0145 -0.2391 -0.0959 227 LYS b C ? ? 1 +30849 O O . LYS V 226 0.3787 1.1296 1.0605 -0.0111 -0.2338 -0.0896 227 LYS b O ? ? 1 +30850 N N . ALA V 227 0.3709 1.1368 1.0737 -0.0230 -0.2374 -0.1001 228 ALA b N ? ? 1 +30851 C CA . ALA V 227 0.3694 1.1229 1.0640 -0.0284 -0.2297 -0.0975 228 ALA b CA ? ? 1 +30852 C CB . ALA V 227 0.3704 1.1283 1.0739 -0.0372 -0.2305 -0.1037 228 ALA b CB ? ? 1 +30853 C C . ALA V 227 0.3577 1.1085 1.0553 -0.0302 -0.2191 -0.0912 228 ALA b C ? ? 1 +30854 O O . ALA V 227 0.3578 1.0954 1.0430 -0.0304 -0.2130 -0.0866 228 ALA b O ? ? 1 +30855 N N . LEU V 228 0.3485 1.1119 1.0624 -0.0313 -0.2171 -0.0912 229 LEU b N ? ? 1 +30856 C CA . LEU V 228 0.3400 1.1018 1.0576 -0.0329 -0.2076 -0.0856 229 LEU b CA ? ? 1 +30857 C CB . LEU V 228 0.3325 1.1079 1.0705 -0.0400 -0.2048 -0.0890 229 LEU b CB ? ? 1 +30858 C CG . LEU V 228 0.3369 1.1105 1.0782 -0.0490 -0.2024 -0.0928 229 LEU b CG ? ? 1 +30859 C CD1 . LEU V 228 0.3272 1.1139 1.0883 -0.0560 -0.1992 -0.0959 229 LEU b CD1 ? ? 1 +30860 C CD2 . LEU V 228 0.3393 1.0972 1.0673 -0.0509 -0.1947 -0.0878 229 LEU b CD2 ? ? 1 +30861 C C . LEU V 228 0.3402 1.1011 1.0538 -0.0251 -0.2067 -0.0802 229 LEU b C ? ? 1 +30862 O O . LEU V 228 0.3289 1.0880 1.0446 -0.0257 -0.1991 -0.0753 229 LEU b O ? ? 1 +30863 N N . ARG V 229 0.3530 1.1144 1.0600 -0.0176 -0.2145 -0.0810 230 ARG b N ? ? 1 +30864 C CA . ARG V 229 0.3533 1.1122 1.0546 -0.0098 -0.2143 -0.0760 230 ARG b CA ? ? 1 +30865 C CB . ARG V 229 0.3764 1.1190 1.0611 -0.0079 -0.2073 -0.0690 230 ARG b CB ? ? 1 +30866 C CG . ARG V 229 0.4181 1.1482 1.0832 -0.0022 -0.2115 -0.0679 230 ARG b CG ? ? 1 +30867 C CD . ARG V 229 0.4565 1.1816 1.1157 -0.0063 -0.2139 -0.0719 230 ARG b CD ? ? 1 +30868 N NE . ARG V 229 0.5076 1.2184 1.1462 -0.0014 -0.2158 -0.0697 230 ARG b NE ? ? 1 +30869 C CZ . ARG V 229 0.5572 1.2599 1.1862 -0.0038 -0.2171 -0.0721 230 ARG b CZ ? ? 1 +30870 N NH1 . ARG V 229 0.5774 1.2864 1.2150 -0.0097 -0.2204 -0.0782 230 ARG b NH1 ? ? 1 +30871 N NH2 . ARG V 229 0.5707 1.2585 1.1810 -0.0003 -0.2150 -0.0684 230 ARG b NH2 ? ? 1 +30872 C C . ARG V 229 0.3161 1.0875 1.0341 -0.0103 -0.2113 -0.0752 230 ARG b C ? ? 1 +30873 O O . ARG V 229 0.3018 1.0692 1.0182 -0.0090 -0.2047 -0.0697 230 ARG b O ? ? 1 +30874 N N . MET V 230 0.2958 1.0823 1.0298 -0.0122 -0.2164 -0.0811 231 MET b N ? ? 1 +30875 C CA . MET V 230 0.2713 1.0708 1.0226 -0.0136 -0.2134 -0.0813 231 MET b CA ? ? 1 +30876 C CB . MET V 230 0.2684 1.0837 1.0374 -0.0183 -0.2182 -0.0888 231 MET b CB ? ? 1 +30877 C CG . MET V 230 0.2639 1.0787 1.0381 -0.0281 -0.2138 -0.0915 231 MET b CG ? ? 1 +30878 S SD . MET V 230 0.2583 1.0935 1.0558 -0.0342 -0.2186 -0.1005 231 MET b SD ? ? 1 +30879 C CE . MET V 230 0.2618 1.0903 1.0565 -0.0434 -0.2163 -0.1035 231 MET b CE ? ? 1 +30880 C C . MET V 230 0.2621 1.0634 1.0116 -0.0048 -0.2158 -0.0781 231 MET b C ? ? 1 +30881 O O . MET V 230 0.2516 1.0625 1.0138 -0.0046 -0.2133 -0.0777 231 MET b O ? ? 1 +30882 N N . GLY V 231 0.2656 1.0573 0.9989 0.0024 -0.2205 -0.0761 232 GLY b N ? ? 1 +30883 C CA . GLY V 231 0.2629 1.0522 0.9905 0.0108 -0.2215 -0.0719 232 GLY b CA ? ? 1 +30884 C C . GLY V 231 0.2527 1.0305 0.9715 0.0114 -0.2124 -0.0644 232 GLY b C ? ? 1 +30885 O O . GLY V 231 0.2512 1.0283 0.9682 0.0171 -0.2118 -0.0609 232 GLY b O ? ? 1 +30886 N N . ASN V 232 0.2461 1.0155 0.9600 0.0055 -0.2057 -0.0624 233 ASN b N ? ? 1 +30887 C CA . ASN V 232 0.2389 0.9959 0.9424 0.0059 -0.1975 -0.0555 233 ASN b CA ? ? 1 +30888 C CB . ASN V 232 0.2469 0.9898 0.9336 0.0053 -0.1968 -0.0541 233 ASN b CB ? ? 1 +30889 C CG . ASN V 232 0.2436 0.9736 0.9192 0.0052 -0.1884 -0.0476 233 ASN b CG ? ? 1 +30890 O OD1 . ASN V 232 0.2330 0.9638 0.9133 0.0046 -0.1822 -0.0437 233 ASN b OD1 ? ? 1 +30891 N ND2 . ASN V 232 0.2522 0.9704 0.9131 0.0056 -0.1880 -0.0464 233 ASN b ND2 ? ? 1 +30892 C C . ASN V 232 0.2231 0.9836 0.9376 -0.0008 -0.1888 -0.0539 233 ASN b C ? ? 1 +30893 O O . ASN V 232 0.2188 0.9800 0.9377 -0.0077 -0.1859 -0.0560 233 ASN b O ? ? 1 +30894 N N . ILE V 233 0.2146 0.9768 0.9330 0.0016 -0.1846 -0.0500 234 ILE b N ? ? 1 +30895 C CA . ILE V 233 0.2020 0.9687 0.9317 -0.0041 -0.1770 -0.0488 234 ILE b CA ? ? 1 +30896 C CB . ILE V 233 0.1971 0.9645 0.9285 0.0002 -0.1737 -0.0444 234 ILE b CB ? ? 1 +30897 C CG1 . ILE V 233 0.1852 0.9597 0.9305 -0.0053 -0.1668 -0.0440 234 ILE b CG1 ? ? 1 +30898 C CG2 . ILE V 233 0.2010 0.9537 0.9156 0.0044 -0.1704 -0.0382 234 ILE b CG2 ? ? 1 +30899 C CD1 . ILE V 233 0.1797 0.9559 0.9281 -0.0017 -0.1638 -0.0405 234 ILE b CD1 ? ? 1 +30900 C C . ILE V 233 0.1982 0.9553 0.9218 -0.0099 -0.1700 -0.0464 234 ILE b C ? ? 1 +30901 O O . ILE V 233 0.1898 0.9509 0.9231 -0.0160 -0.1646 -0.0468 234 ILE b O ? ? 1 +30902 N N . GLU V 234 0.2045 0.9486 0.9118 -0.0077 -0.1699 -0.0438 235 GLU b N ? ? 1 +30903 C CA . GLU V 234 0.2014 0.9358 0.9020 -0.0124 -0.1634 -0.0414 235 GLU b CA ? ? 1 +30904 C CB . GLU V 234 0.2099 0.9301 0.8918 -0.0080 -0.1629 -0.0374 235 GLU b CB ? ? 1 +30905 C CG . GLU V 234 0.2066 0.9170 0.8822 -0.0114 -0.1548 -0.0334 235 GLU b CG ? ? 1 +30906 C CD . GLU V 234 0.2126 0.9099 0.8718 -0.0071 -0.1524 -0.0286 235 GLU b CD ? ? 1 +30907 O OE1 . GLU V 234 0.2208 0.9147 0.8712 -0.0011 -0.1570 -0.0279 235 GLU b OE1 ? ? 1 +30908 O OE2 . GLU V 234 0.2099 0.9002 0.8649 -0.0097 -0.1457 -0.0254 235 GLU b OE2 ? ? 1 +30909 C C . GLU V 234 0.2012 0.9385 0.9069 -0.0191 -0.1644 -0.0463 235 GLU b C ? ? 1 +30910 O O . GLU V 234 0.1951 0.9281 0.9009 -0.0244 -0.1584 -0.0452 235 GLU b O ? ? 1 +30911 N N . THR V 235 0.2063 0.9514 0.9172 -0.0190 -0.1719 -0.0519 236 THR b N ? ? 1 +30912 C CA . THR V 235 0.2067 0.9556 0.9244 -0.0260 -0.1727 -0.0569 236 THR b CA ? ? 1 +30913 C CB . THR V 235 0.2158 0.9722 0.9372 -0.0251 -0.1818 -0.0631 236 THR b CB ? ? 1 +30914 O OG1 . THR V 235 0.2206 0.9743 0.9412 -0.0313 -0.1820 -0.0668 236 THR b OG1 ? ? 1 +30915 C CG2 . THR V 235 0.2101 0.9831 0.9495 -0.0254 -0.1851 -0.0669 236 THR b CG2 ? ? 1 +30916 C C . THR V 235 0.1943 0.9514 0.9272 -0.0321 -0.1668 -0.0574 236 THR b C ? ? 1 +30917 O O . THR V 235 0.1932 0.9472 0.9274 -0.0385 -0.1623 -0.0580 236 THR b O ? ? 1 +30918 N N . VAL V 236 0.1857 0.9521 0.9289 -0.0299 -0.1664 -0.0566 237 VAL b N ? ? 1 +30919 C CA . VAL V 236 0.1746 0.9490 0.9321 -0.0353 -0.1607 -0.0570 237 VAL b CA ? ? 1 +30920 C CB . VAL V 236 0.1698 0.9559 0.9390 -0.0318 -0.1621 -0.0573 237 VAL b CB ? ? 1 +30921 C CG1 . VAL V 236 0.1608 0.9556 0.9450 -0.0378 -0.1564 -0.0584 237 VAL b CG1 ? ? 1 +30922 C CG2 . VAL V 236 0.1761 0.9719 0.9503 -0.0280 -0.1715 -0.0623 237 VAL b CG2 ? ? 1 +30923 C C . VAL V 236 0.1669 0.9314 0.9185 -0.0379 -0.1519 -0.0518 237 VAL b C ? ? 1 +30924 O O . VAL V 236 0.1611 0.9264 0.9188 -0.0444 -0.1469 -0.0526 237 VAL b O ? ? 1 +30925 N N . LEU V 237 0.1667 0.9215 0.9061 -0.0329 -0.1500 -0.0466 238 LEU b N ? ? 1 +30926 C CA . LEU V 237 0.1610 0.9065 0.8945 -0.0349 -0.1421 -0.0418 238 LEU b CA ? ? 1 +30927 C CB . LEU V 237 0.1625 0.8989 0.8833 -0.0286 -0.1412 -0.0365 238 LEU b CB ? ? 1 +30928 C CG . LEU V 237 0.1565 0.8844 0.8719 -0.0296 -0.1334 -0.0312 238 LEU b CG ? ? 1 +30929 C CD1 . LEU V 237 0.1456 0.8801 0.8728 -0.0326 -0.1282 -0.0302 238 LEU b CD1 ? ? 1 +30930 C CD2 . LEU V 237 0.1598 0.8795 0.8631 -0.0233 -0.1333 -0.0266 238 LEU b CD2 ? ? 1 +30931 C C . LEU V 237 0.1642 0.9023 0.8924 -0.0403 -0.1399 -0.0430 238 LEU b C ? ? 1 +30932 O O . LEU V 237 0.1584 0.8949 0.8901 -0.0454 -0.1338 -0.0421 238 LEU b O ? ? 1 +30933 N N A SER V 238 0.1742 0.9074 0.8934 -0.0389 -0.1450 -0.0453 239 SER b N ? ? 1 +30934 N N B SER V 238 0.1743 0.9077 0.8937 -0.0390 -0.1451 -0.0453 239 SER b N ? ? 1 +30935 C CA A SER V 238 0.1793 0.9047 0.8922 -0.0434 -0.1436 -0.0467 239 SER b CA ? ? 1 +30936 C CA B SER V 238 0.1796 0.9051 0.8925 -0.0434 -0.1436 -0.0467 239 SER b CA ? ? 1 +30937 C C A SER V 238 0.1762 0.9083 0.9014 -0.0511 -0.1418 -0.0507 239 SER b C ? ? 1 +30938 C C B SER V 238 0.1765 0.9084 0.9014 -0.0511 -0.1419 -0.0508 239 SER b C ? ? 1 +30939 O O A SER V 238 0.1730 0.8996 0.8973 -0.0556 -0.1356 -0.0492 239 SER b O ? ? 1 +30940 O O B SER V 238 0.1740 0.9000 0.8974 -0.0556 -0.1359 -0.0494 239 SER b O ? ? 1 +30941 C CB A SER V 238 0.1914 0.9125 0.8943 -0.0406 -0.1504 -0.0494 239 SER b CB ? ? 1 +30942 C CB B SER V 238 0.1916 0.9128 0.8946 -0.0406 -0.1504 -0.0494 239 SER b CB ? ? 1 +30943 O OG A SER V 238 0.1953 0.9138 0.8899 -0.0332 -0.1539 -0.0469 239 SER b OG ? ? 1 +30944 O OG B SER V 238 0.1974 0.9100 0.8933 -0.0447 -0.1486 -0.0506 239 SER b OG ? ? 1 +30945 N N . SER V 239 0.1768 0.9207 0.9134 -0.0525 -0.1471 -0.0559 240 SER b N ? ? 1 +30946 C CA . SER V 239 0.1747 0.9258 0.9238 -0.0600 -0.1456 -0.0602 240 SER b CA ? ? 1 +30947 C CB . SER V 239 0.1779 0.9420 0.9383 -0.0606 -0.1530 -0.0665 240 SER b CB ? ? 1 +30948 O OG . SER V 239 0.1752 0.9488 0.9418 -0.0550 -0.1568 -0.0664 240 SER b OG ? ? 1 +30949 C C . SER V 239 0.1646 0.9192 0.9229 -0.0632 -0.1382 -0.0577 240 SER b C ? ? 1 +30950 O O . SER V 239 0.1630 0.9159 0.9249 -0.0697 -0.1335 -0.0586 240 SER b O ? ? 1 +30951 N N . SER V 240 0.1589 0.9174 0.9200 -0.0587 -0.1369 -0.0543 241 SER b N ? ? 1 +30952 C CA . SER V 240 0.1506 0.9129 0.9204 -0.0613 -0.1303 -0.0521 241 SER b CA ? ? 1 +30953 C CB . SER V 240 0.1458 0.9142 0.9197 -0.0555 -0.1309 -0.0496 241 SER b CB ? ? 1 +30954 O OG . SER V 240 0.1476 0.9294 0.9334 -0.0546 -0.1364 -0.0541 241 SER b OG ? ? 1 +30955 C C . SER V 240 0.1488 0.8993 0.9101 -0.0636 -0.1230 -0.0477 241 SER b C ? ? 1 +30956 O O . SER V 240 0.1450 0.8962 0.9124 -0.0692 -0.1176 -0.0479 241 SER b O ? ? 1 +30957 N N . ILE V 241 0.1520 0.8918 0.8994 -0.0593 -0.1228 -0.0439 242 ILE b N ? ? 1 +30958 C CA . ILE V 241 0.1511 0.8794 0.8895 -0.0608 -0.1167 -0.0400 242 ILE b CA ? ? 1 +30959 C CB . ILE V 241 0.1550 0.8730 0.8785 -0.0551 -0.1175 -0.0363 242 ILE b CB ? ? 1 +30960 C CG1 . ILE V 241 0.1493 0.8690 0.8724 -0.0495 -0.1167 -0.0322 242 ILE b CG1 ? ? 1 +30961 C CG2 . ILE V 241 0.1568 0.8629 0.8706 -0.0572 -0.1122 -0.0336 242 ILE b CG2 ? ? 1 +30962 C CD1 . ILE V 241 0.1543 0.8652 0.8635 -0.0434 -0.1182 -0.0288 242 ILE b CD1 ? ? 1 +30963 C C . ILE V 241 0.1562 0.8804 0.8942 -0.0674 -0.1151 -0.0430 242 ILE b C ? ? 1 +30964 O O . ILE V 241 0.1533 0.8734 0.8918 -0.0712 -0.1090 -0.0413 242 ILE b O ? ? 1 +30965 N N . ALA V 242 0.1648 0.8899 0.9016 -0.0685 -0.1206 -0.0475 243 ALA b N ? ? 1 +30966 C CA . ALA V 242 0.1718 0.8929 0.9081 -0.0748 -0.1196 -0.0508 243 ALA b CA ? ? 1 +30967 C CB . ALA V 242 0.1816 0.9040 0.9157 -0.0747 -0.1270 -0.0557 243 ALA b CB ? ? 1 +30968 C C . ALA V 242 0.1681 0.8962 0.9176 -0.0816 -0.1158 -0.0531 243 ALA b C ? ? 1 +30969 O O . ALA V 242 0.1703 0.8918 0.9178 -0.0866 -0.1110 -0.0529 243 ALA b O ? ? 1 +30970 N N . ALA V 243 0.1636 0.9047 0.9261 -0.0816 -0.1179 -0.0553 244 ALA b N ? ? 1 +30971 C CA . ALA V 243 0.1598 0.9084 0.9354 -0.0878 -0.1141 -0.0575 244 ALA b CA ? ? 1 +30972 C CB . ALA V 243 0.1559 0.9201 0.9457 -0.0867 -0.1181 -0.0607 244 ALA b CB ? ? 1 +30973 C C . ALA V 243 0.1530 0.8966 0.9272 -0.0885 -0.1061 -0.0526 244 ALA b C ? ? 1 +30974 O O . ALA V 243 0.1525 0.8939 0.9299 -0.0944 -0.1009 -0.0530 244 ALA b O ? ? 1 +30975 N N . VAL V 244 0.1491 0.8904 0.9181 -0.0824 -0.1053 -0.0478 245 VAL b N ? ? 1 +30976 C CA . VAL V 244 0.1433 0.8801 0.9107 -0.0823 -0.0985 -0.0431 245 VAL b CA ? ? 1 +30977 C CB . VAL V 244 0.1397 0.8773 0.9039 -0.0751 -0.0993 -0.0389 245 VAL b CB ? ? 1 +30978 C CG1 . VAL V 244 0.1354 0.8650 0.8933 -0.0738 -0.0932 -0.0335 245 VAL b CG1 ? ? 1 +30979 C CG2 . VAL V 244 0.1355 0.8864 0.9123 -0.0736 -0.1014 -0.0407 245 VAL b CG2 ? ? 1 +30980 C C . VAL V 244 0.1460 0.8697 0.9031 -0.0849 -0.0937 -0.0408 245 VAL b C ? ? 1 +30981 O O . VAL V 244 0.1423 0.8635 0.9012 -0.0881 -0.0877 -0.0389 245 VAL b O ? ? 1 +30982 N N . PHE V 245 0.1526 0.8678 0.8987 -0.0835 -0.0963 -0.0409 246 PHE b N ? ? 1 +30983 C CA . PHE V 245 0.1558 0.8584 0.8918 -0.0853 -0.0918 -0.0386 246 PHE b CA ? ? 1 +30984 C CB . PHE V 245 0.1606 0.8536 0.8827 -0.0805 -0.0940 -0.0366 246 PHE b CB ? ? 1 +30985 C CG . PHE V 245 0.1701 0.8601 0.8869 -0.0812 -0.0991 -0.0405 246 PHE b CG ? ? 1 +30986 C CD1 . PHE V 245 0.1768 0.8619 0.8924 -0.0869 -0.0980 -0.0435 246 PHE b CD1 ? ? 1 +30987 C CD2 . PHE V 245 0.1730 0.8643 0.8852 -0.0761 -0.1048 -0.0410 246 PHE b CD2 ? ? 1 +30988 C CE1 . PHE V 245 0.1862 0.8681 0.8966 -0.0876 -0.1028 -0.0473 246 PHE b CE1 ? ? 1 +30989 C CE2 . PHE V 245 0.1826 0.8707 0.8892 -0.0767 -0.1097 -0.0446 246 PHE b CE2 ? ? 1 +30990 C CZ . PHE V 245 0.1890 0.8726 0.8949 -0.0825 -0.1087 -0.0478 246 PHE b CZ ? ? 1 +30991 C C . PHE V 245 0.1613 0.8624 0.9007 -0.0926 -0.0902 -0.0425 246 PHE b C ? ? 1 +30992 O O . PHE V 245 0.1610 0.8544 0.8968 -0.0958 -0.0849 -0.0409 246 PHE b O ? ? 1 +30993 N N . PHE V 246 0.1668 0.8755 0.9134 -0.0954 -0.0949 -0.0477 247 PHE b N ? ? 1 +30994 C CA . PHE V 246 0.1717 0.8812 0.9244 -0.1031 -0.0932 -0.0517 247 PHE b CA ? ? 1 +30995 C CB . PHE V 246 0.1790 0.8988 0.9403 -0.1050 -0.0996 -0.0576 247 PHE b CB ? ? 1 +30996 C CG . PHE V 246 0.1889 0.9100 0.9568 -0.1132 -0.0984 -0.0624 247 PHE b CG ? ? 1 +30997 C CD2 . PHE V 246 0.2031 0.9165 0.9641 -0.1162 -0.1005 -0.0653 247 PHE b CD2 ? ? 1 +30998 C CD1 . PHE V 246 0.1868 0.9168 0.9679 -0.1181 -0.0950 -0.0641 247 PHE b CD1 ? ? 1 +30999 C CE2 . PHE V 246 0.2109 0.9256 0.9782 -0.1242 -0.0996 -0.0701 247 PHE b CE2 ? ? 1 +31000 C CE1 . PHE V 246 0.1948 0.9262 0.9824 -0.1261 -0.0938 -0.0687 247 PHE b CE1 ? ? 1 +31001 C CZ . PHE V 246 0.2055 0.9293 0.9863 -0.1293 -0.0962 -0.0718 247 PHE b CZ ? ? 1 +31002 C C . PHE V 246 0.1623 0.8749 0.9231 -0.1068 -0.0868 -0.0503 247 PHE b C ? ? 1 +31003 O O . PHE V 246 0.1646 0.8695 0.9225 -0.1114 -0.0816 -0.0497 247 PHE b O ? ? 1 +31004 N N . ALA V 247 0.1514 0.8747 0.9217 -0.1046 -0.0870 -0.0496 248 ALA b N ? ? 1 +31005 C CA . ALA V 247 0.1440 0.8706 0.9218 -0.1075 -0.0809 -0.0482 248 ALA b CA ? ? 1 +31006 C CB . ALA V 247 0.1362 0.8758 0.9246 -0.1042 -0.0827 -0.0482 248 ALA b CB ? ? 1 +31007 C C . ALA V 247 0.1405 0.8557 0.9086 -0.1062 -0.0749 -0.0428 248 ALA b C ? ? 1 +31008 O O . ALA V 247 0.1404 0.8513 0.9091 -0.1109 -0.0693 -0.0422 248 ALA b O ? ? 1 +31009 N N . ALA V 248 0.1372 0.8474 0.8962 -0.0998 -0.0762 -0.0389 249 ALA b N ? ? 1 +31010 C CA . ALA V 248 0.1347 0.8347 0.8847 -0.0980 -0.0711 -0.0339 249 ALA b CA ? ? 1 +31011 C CB . ALA V 248 0.1332 0.8294 0.8744 -0.0909 -0.0734 -0.0303 249 ALA b CB ? ? 1 +31012 C C . ALA V 248 0.1407 0.8292 0.8832 -0.1023 -0.0677 -0.0341 249 ALA b C ? ? 1 +31013 O O . ALA V 248 0.1398 0.8232 0.8808 -0.1043 -0.0621 -0.0318 249 ALA b O ? ? 1 +31014 N N . PHE V 249 0.1477 0.8319 0.8852 -0.1036 -0.0711 -0.0370 250 PHE b N ? ? 1 +31015 C CA . PHE V 249 0.1553 0.8284 0.8856 -0.1078 -0.0681 -0.0376 250 PHE b CA ? ? 1 +31016 C CB . PHE V 249 0.1648 0.8335 0.8889 -0.1081 -0.0729 -0.0409 250 PHE b CB ? ? 1 +31017 C CG . PHE V 249 0.1676 0.8278 0.8790 -0.1022 -0.0743 -0.0379 250 PHE b CG ? ? 1 +31018 C CD1 . PHE V 249 0.1681 0.8181 0.8707 -0.1004 -0.0696 -0.0337 250 PHE b CD1 ? ? 1 +31019 C CD2 . PHE V 249 0.1704 0.8328 0.8787 -0.0982 -0.0802 -0.0392 250 PHE b CD2 ? ? 1 +31020 C CE1 . PHE V 249 0.1704 0.8132 0.8621 -0.0950 -0.0705 -0.0311 250 PHE b CE1 ? ? 1 +31021 C CE2 . PHE V 249 0.1726 0.8272 0.8693 -0.0928 -0.0809 -0.0363 250 PHE b CE2 ? ? 1 +31022 C CZ . PHE V 249 0.1727 0.8177 0.8614 -0.0914 -0.0760 -0.0324 250 PHE b CZ ? ? 1 +31023 C C . PHE V 249 0.1565 0.8308 0.8941 -0.1151 -0.0638 -0.0398 250 PHE b C ? ? 1 +31024 O O . PHE V 249 0.1586 0.8237 0.8909 -0.1173 -0.0585 -0.0377 250 PHE b O ? ? 1 +31025 N N . VAL V 250 0.1546 0.8403 0.9044 -0.1187 -0.0660 -0.0440 251 VAL b N ? ? 1 +31026 C CA . VAL V 250 0.1558 0.8438 0.9135 -0.1259 -0.0618 -0.0464 251 VAL b CA ? ? 1 +31027 C CB . VAL V 250 0.1545 0.8570 0.9265 -0.1290 -0.0655 -0.0516 251 VAL b CB ? ? 1 +31028 C CG1 . VAL V 250 0.1545 0.8613 0.9365 -0.1361 -0.0603 -0.0535 251 VAL b CG1 ? ? 1 +31029 C CG2 . VAL V 250 0.1623 0.8645 0.9327 -0.1308 -0.0713 -0.0562 251 VAL b CG2 ? ? 1 +31030 C C . VAL V 250 0.1501 0.8370 0.9093 -0.1260 -0.0553 -0.0426 251 VAL b C ? ? 1 +31031 O O . VAL V 250 0.1541 0.8332 0.9104 -0.1306 -0.0500 -0.0420 251 VAL b O ? ? 1 +31032 N N . VAL V 251 0.1417 0.8359 0.9050 -0.1211 -0.0557 -0.0399 252 VAL b N ? ? 1 +31033 C CA . VAL V 251 0.1377 0.8307 0.9018 -0.1208 -0.0499 -0.0363 252 VAL b CA ? ? 1 +31034 C CB . VAL V 251 0.1281 0.8316 0.8994 -0.1161 -0.0510 -0.0346 252 VAL b CB ? ? 1 +31035 C CG1 . VAL V 251 0.1261 0.8440 0.9114 -0.1183 -0.0541 -0.0391 252 VAL b CG1 ? ? 1 +31036 C CG2 . VAL V 251 0.1242 0.8257 0.8882 -0.1086 -0.0546 -0.0314 252 VAL b CG2 ? ? 1 +31037 C C . VAL V 251 0.1408 0.8199 0.8917 -0.1185 -0.0464 -0.0318 252 VAL b C ? ? 1 +31038 O O . VAL V 251 0.1413 0.8157 0.8909 -0.1205 -0.0408 -0.0296 252 VAL b O ? ? 1 +31039 N N . ALA V 252 0.1437 0.8162 0.8848 -0.1142 -0.0494 -0.0304 253 ALA b N ? ? 1 +31040 C CA . ALA V 252 0.1477 0.8073 0.8768 -0.1122 -0.0462 -0.0266 253 ALA b CA ? ? 1 +31041 C CB . ALA V 252 0.1483 0.8034 0.8684 -0.1065 -0.0501 -0.0250 253 ALA b CB ? ? 1 +31042 C C . ALA V 252 0.1584 0.8082 0.8830 -0.1181 -0.0427 -0.0282 253 ALA b C ? ? 1 +31043 O O . ALA V 252 0.1614 0.8024 0.8802 -0.1188 -0.0378 -0.0255 253 ALA b O ? ? 1 +31044 N N . GLY V 253 0.1650 0.8158 0.8919 -0.1224 -0.0455 -0.0327 254 GLY b N ? ? 1 +31045 C CA . GLY V 253 0.1757 0.8175 0.8990 -0.1286 -0.0423 -0.0347 254 GLY b CA ? ? 1 +31046 C C . GLY V 253 0.1775 0.8204 0.9070 -0.1342 -0.0366 -0.0351 254 GLY b C ? ? 1 +31047 O O . GLY V 253 0.1845 0.8163 0.9071 -0.1370 -0.0318 -0.0337 254 GLY b O ? ? 1 +31048 N N . THR V 254 0.1725 0.8286 0.9150 -0.1361 -0.0370 -0.0370 255 THR b N ? ? 1 +31049 C CA . THR V 254 0.1743 0.8320 0.9232 -0.1418 -0.0313 -0.0376 255 THR b CA ? ? 1 +31050 C CB . THR V 254 0.1694 0.8430 0.9339 -0.1445 -0.0328 -0.0413 255 THR b CB ? ? 1 +31051 O OG1 . THR V 254 0.1596 0.8421 0.9279 -0.1380 -0.0358 -0.0392 255 THR b OG1 ? ? 1 +31052 C CG2 . THR V 254 0.1741 0.8532 0.9443 -0.1483 -0.0376 -0.0468 255 THR b CG2 ? ? 1 +31053 C C . THR V 254 0.1711 0.8232 0.9147 -0.1387 -0.0263 -0.0325 255 THR b C ? ? 1 +31054 O O . THR V 254 0.1755 0.8213 0.9172 -0.1428 -0.0206 -0.0317 255 THR b O ? ? 1 +31055 N N . MET V 255 0.1649 0.8191 0.9058 -0.1316 -0.0285 -0.0290 256 MET b N ? ? 1 +31056 C CA . MET V 255 0.1627 0.8113 0.8978 -0.1282 -0.0244 -0.0242 256 MET b CA ? ? 1 +31057 C CB . MET V 255 0.1541 0.8073 0.8884 -0.1206 -0.0277 -0.0212 256 MET b CB ? ? 1 +31058 C CG . MET V 255 0.1511 0.8002 0.8809 -0.1171 -0.0239 -0.0165 256 MET b CG ? ? 1 +31059 S SD . MET V 255 0.1504 0.8050 0.8890 -0.1214 -0.0184 -0.0168 256 MET b SD ? ? 1 +31060 C CE . MET V 255 0.1391 0.8096 0.8892 -0.1176 -0.0223 -0.0175 256 MET b CE ? ? 1 +31061 C C . MET V 255 0.1715 0.8042 0.8935 -0.1287 -0.0213 -0.0221 256 MET b C ? ? 1 +31062 O O . MET V 255 0.1738 0.8000 0.8920 -0.1297 -0.0162 -0.0197 256 MET b O ? ? 1 +31063 N N . TRP V 256 0.1779 0.8040 0.8929 -0.1280 -0.0243 -0.0232 257 TRP b N ? ? 1 +31064 C CA . TRP V 256 0.1870 0.7981 0.8891 -0.1275 -0.0218 -0.0212 257 TRP b CA ? ? 1 +31065 C CB . TRP V 256 0.1895 0.7963 0.8840 -0.1232 -0.0263 -0.0212 257 TRP b CB ? ? 1 +31066 C CG . TRP V 256 0.1958 0.7885 0.8771 -0.1203 -0.0242 -0.0181 257 TRP b CG ? ? 1 +31067 C CD1 . TRP V 256 0.2065 0.7880 0.8787 -0.1216 -0.0242 -0.0193 257 TRP b CD1 ? ? 1 +31068 N NE1 . TRP V 256 0.2096 0.7804 0.8711 -0.1174 -0.0220 -0.0157 257 TRP b NE1 ? ? 1 +31069 C CE2 . TRP V 256 0.2005 0.7757 0.8643 -0.1136 -0.0205 -0.0122 257 TRP b CE2 ? ? 1 +31070 C CZ2 . TRP V 256 0.1996 0.7683 0.8561 -0.1088 -0.0183 -0.0081 257 TRP b CZ2 ? ? 1 +31071 C CH2 . TRP V 256 0.1904 0.7659 0.8515 -0.1060 -0.0174 -0.0054 257 TRP b CH2 ? ? 1 +31072 C CZ3 . TRP V 256 0.1824 0.7706 0.8549 -0.1076 -0.0185 -0.0066 257 TRP b CZ3 ? ? 1 +31073 C CE3 . TRP V 256 0.1833 0.7783 0.8634 -0.1121 -0.0206 -0.0106 257 TRP b CE3 ? ? 1 +31074 C CD2 . TRP V 256 0.1923 0.7809 0.8682 -0.1153 -0.0217 -0.0135 257 TRP b CD2 ? ? 1 +31075 C C . TRP V 256 0.1980 0.8007 0.8979 -0.1347 -0.0177 -0.0233 257 TRP b C ? ? 1 +31076 O O . TRP V 256 0.2039 0.7959 0.8961 -0.1354 -0.0131 -0.0209 257 TRP b O ? ? 1 +31077 N N . TYR V 257 0.2029 0.8100 0.9091 -0.1401 -0.0195 -0.0280 258 TYR b N ? ? 1 +31078 C CA . TYR V 257 0.2142 0.8136 0.9190 -0.1476 -0.0154 -0.0304 258 TYR b CA ? ? 1 +31079 C CB . TYR V 257 0.2204 0.8230 0.9294 -0.1521 -0.0193 -0.0356 258 TYR b CB ? ? 1 +31080 C CG . TYR V 257 0.2239 0.8211 0.9242 -0.1475 -0.0242 -0.0356 258 TYR b CG ? ? 1 +31081 C CD1 . TYR V 257 0.2310 0.8132 0.9173 -0.1448 -0.0224 -0.0328 258 TYR b CD1 ? ? 1 +31082 C CD2 . TYR V 257 0.2201 0.8272 0.9258 -0.1452 -0.0306 -0.0381 258 TYR b CD2 ? ? 1 +31083 C CE1 . TYR V 257 0.2335 0.8109 0.9117 -0.1404 -0.0265 -0.0327 258 TYR b CE1 ? ? 1 +31084 C CE2 . TYR V 257 0.2234 0.8252 0.9204 -0.1408 -0.0348 -0.0379 258 TYR b CE2 ? ? 1 +31085 C CZ . TYR V 257 0.2293 0.8165 0.9128 -0.1384 -0.0326 -0.0352 258 TYR b CZ ? ? 1 +31086 O OH . TYR V 257 0.2317 0.8140 0.9070 -0.1342 -0.0364 -0.0353 258 TYR b OH ? ? 1 +31087 C C . TYR V 257 0.2118 0.8155 0.9242 -0.1524 -0.0101 -0.0305 258 TYR b C ? ? 1 +31088 O O . TYR V 257 0.2210 0.8152 0.9292 -0.1575 -0.0049 -0.0306 258 TYR b O ? ? 1 +31089 N N . GLY V 258 0.2000 0.8175 0.9231 -0.1504 -0.0113 -0.0303 259 GLY b N ? ? 1 +31090 C CA . GLY V 258 0.1984 0.8222 0.9304 -0.1545 -0.0067 -0.0308 259 GLY b CA ? ? 1 +31091 C C . GLY V 258 0.1989 0.8341 0.9442 -0.1609 -0.0079 -0.0363 259 GLY b C ? ? 1 +31092 O O . GLY V 258 0.2036 0.8367 0.9486 -0.1646 -0.0103 -0.0398 259 GLY b O ? ? 1 +31093 N N . SER V 259 0.1929 0.8404 0.9500 -0.1619 -0.0063 -0.0370 260 SER b N ? ? 1 +31094 C CA . SER V 259 0.1945 0.8539 0.9656 -0.1682 -0.0064 -0.0421 260 SER b CA ? ? 1 +31095 C CB . SER V 259 0.1878 0.8604 0.9677 -0.1655 -0.0142 -0.0453 260 SER b CB ? ? 1 +31096 O OG . SER V 259 0.1761 0.8594 0.9619 -0.1594 -0.0164 -0.0434 260 SER b OG ? ? 1 +31097 C C . SER V 259 0.1908 0.8577 0.9704 -0.1695 -0.0014 -0.0412 260 SER b C ? ? 1 +31098 O O . SER V 259 0.1885 0.8512 0.9624 -0.1653 0.0014 -0.0367 260 SER b O ? ? 1 +31099 N N . ALA V 260 0.1912 0.8696 0.9845 -0.1753 -0.0005 -0.0457 261 ALA b N ? ? 1 +31100 C CA . ALA V 260 0.1871 0.8746 0.9902 -0.1768 0.0041 -0.0456 261 ALA b CA ? ? 1 +31101 C CB . ALA V 260 0.1889 0.8891 1.0076 -0.1840 0.0044 -0.0516 261 ALA b CB ? ? 1 +31102 C C . ALA V 260 0.1757 0.8726 0.9824 -0.1689 0.0010 -0.0431 261 ALA b C ? ? 1 +31103 O O . ALA V 260 0.1729 0.8729 0.9827 -0.1681 0.0053 -0.0412 261 ALA b O ? ? 1 +31104 N N . THR V 261 0.1713 0.8721 0.9771 -0.1630 -0.0062 -0.0430 262 THR b N ? ? 1 +31105 C CA . THR V 261 0.1613 0.8698 0.9695 -0.1555 -0.0093 -0.0405 262 THR b CA ? ? 1 +31106 C CB . THR V 261 0.1572 0.8770 0.9724 -0.1522 -0.0173 -0.0434 262 THR b CB ? ? 1 +31107 O OG1 . THR V 261 0.1630 0.8738 0.9680 -0.1504 -0.0215 -0.0430 262 THR b OG1 ? ? 1 +31108 C CG2 . THR V 261 0.1584 0.8913 0.9887 -0.1579 -0.0186 -0.0494 262 THR b CG2 ? ? 1 +31109 C C . THR V 261 0.1592 0.8563 0.9536 -0.1492 -0.0089 -0.0348 262 THR b C ? ? 1 +31110 O O . THR V 261 0.1515 0.8535 0.9466 -0.1429 -0.0112 -0.0324 262 THR b O ? ? 1 +31111 N N . THR V 262 0.1668 0.8488 0.9487 -0.1508 -0.0060 -0.0327 263 THR b N ? ? 1 +31112 C CA . THR V 262 0.1651 0.8366 0.9345 -0.1449 -0.0053 -0.0275 263 THR b CA ? ? 1 +31113 C CB . THR V 262 0.1652 0.8296 0.9252 -0.1412 -0.0102 -0.0267 263 THR b CB ? ? 1 +31114 O OG1 . THR V 262 0.1749 0.8292 0.9289 -0.1463 -0.0088 -0.0285 263 THR b OG1 ? ? 1 +31115 C CG2 . THR V 262 0.1591 0.8344 0.9256 -0.1378 -0.0172 -0.0289 263 THR b CG2 ? ? 1 +31116 C C . THR V 262 0.1737 0.8328 0.9347 -0.1478 0.0018 -0.0249 263 THR b C ? ? 1 +31117 O O . THR V 262 0.1811 0.8268 0.9303 -0.1478 0.0028 -0.0232 263 THR b O ? ? 1 +31118 N N . PRO V 263 0.1738 0.8367 0.9403 -0.1502 0.0069 -0.0246 264 PRO b N ? ? 1 +31119 C CA . PRO V 263 0.1832 0.8346 0.9424 -0.1540 0.0141 -0.0228 264 PRO b CA ? ? 1 +31120 C CB . PRO V 263 0.1796 0.8407 0.9494 -0.1568 0.0184 -0.0239 264 PRO b CB ? ? 1 +31121 C CG . PRO V 263 0.1677 0.8423 0.9462 -0.1513 0.0135 -0.0241 264 PRO b CG ? ? 1 +31122 C CD . PRO V 263 0.1649 0.8430 0.9444 -0.1491 0.0062 -0.0260 264 PRO b CD ? ? 1 +31123 C C . PRO V 263 0.1841 0.8235 0.9295 -0.1483 0.0149 -0.0176 264 PRO b C ? ? 1 +31124 O O . PRO V 263 0.1757 0.8191 0.9206 -0.1418 0.0114 -0.0154 264 PRO b O ? ? 1 +31125 N N . ILE V 264 0.1961 0.8210 0.9307 -0.1509 0.0196 -0.0160 265 ILE b N ? ? 1 +31126 C CA . ILE V 264 0.2005 0.8128 0.9212 -0.1458 0.0200 -0.0115 265 ILE b CA ? ? 1 +31127 C CB . ILE V 264 0.2158 0.8117 0.9248 -0.1496 0.0238 -0.0110 265 ILE b CB ? ? 1 +31128 C CG1 . ILE V 264 0.2252 0.8159 0.9335 -0.1554 0.0313 -0.0111 265 ILE b CG1 ? ? 1 +31129 C CG2 . ILE V 264 0.2210 0.8157 0.9308 -0.1530 0.0208 -0.0145 265 ILE b CG2 ? ? 1 +31130 C CD1 . ILE V 264 0.2409 0.8134 0.9355 -0.1583 0.0353 -0.0099 265 ILE b CD1 ? ? 1 +31131 C C . ILE V 264 0.1961 0.8090 0.9151 -0.1419 0.0227 -0.0080 265 ILE b C ? ? 1 +31132 O O . ILE V 264 0.1931 0.8003 0.9037 -0.1359 0.0211 -0.0045 265 ILE b O ? ? 1 +31133 N N . GLU V 265 0.1943 0.8142 0.9216 -0.1452 0.0266 -0.0091 266 GLU b N ? ? 1 +31134 C CA . GLU V 265 0.1903 0.8114 0.9167 -0.1418 0.0292 -0.0062 266 GLU b CA ? ? 1 +31135 C CB . GLU V 265 0.1945 0.8201 0.9281 -0.1473 0.0353 -0.0079 266 GLU b CB ? ? 1 +31136 C CG . GLU V 265 0.2092 0.8209 0.9337 -0.1525 0.0418 -0.0073 266 GLU b CG ? ? 1 +31137 C CD . GLU V 265 0.2165 0.8334 0.9500 -0.1598 0.0475 -0.0102 266 GLU b CD ? ? 1 +31138 O OE1 . GLU V 265 0.2168 0.8423 0.9607 -0.1645 0.0462 -0.0144 266 GLU b OE1 ? ? 1 +31139 O OE2 . GLU V 265 0.2224 0.8348 0.9522 -0.1608 0.0534 -0.0085 266 GLU b OE2 ? ? 1 +31140 C C . GLU V 265 0.1759 0.8083 0.9083 -0.1354 0.0240 -0.0054 266 GLU b C ? ? 1 +31141 O O . GLU V 265 0.1710 0.8030 0.9006 -0.1312 0.0249 -0.0026 266 GLU b O ? ? 1 +31142 N N . LEU V 266 0.1697 0.8120 0.9105 -0.1350 0.0187 -0.0082 267 LEU b N ? ? 1 +31143 C CA . LEU V 266 0.1584 0.8112 0.9049 -0.1293 0.0136 -0.0077 267 LEU b CA ? ? 1 +31144 C CB . LEU V 266 0.1543 0.8220 0.9153 -0.1316 0.0110 -0.0119 267 LEU b CB ? ? 1 +31145 C CG . LEU V 266 0.1565 0.8311 0.9270 -0.1366 0.0159 -0.0142 267 LEU b CG ? ? 1 +31146 C CD1 . LEU V 266 0.1508 0.8411 0.9357 -0.1374 0.0123 -0.0182 267 LEU b CD1 ? ? 1 +31147 C CD2 . LEU V 266 0.1544 0.8282 0.9230 -0.1341 0.0199 -0.0113 267 LEU b CD2 ? ? 1 +31148 C C . LEU V 266 0.1548 0.8033 0.8940 -0.1240 0.0083 -0.0059 267 LEU b C ? ? 1 +31149 O O . LEU V 266 0.1476 0.7988 0.8859 -0.1183 0.0057 -0.0036 267 LEU b O ? ? 1 +31150 N N . PHE V 267 0.1597 0.8013 0.8938 -0.1261 0.0069 -0.0071 268 PHE b N ? ? 1 +31151 C CA . PHE V 267 0.1576 0.7950 0.8847 -0.1213 0.0022 -0.0056 268 PHE b CA ? ? 1 +31152 C CB . PHE V 267 0.1567 0.7998 0.8891 -0.1229 -0.0023 -0.0092 268 PHE b CB ? ? 1 +31153 C CG . PHE V 267 0.1485 0.8067 0.8937 -0.1223 -0.0055 -0.0115 268 PHE b CG ? ? 1 +31154 C CD1 . PHE V 267 0.1394 0.8040 0.8863 -0.1162 -0.0096 -0.0099 268 PHE b CD1 ? ? 1 +31155 C CD2 . PHE V 267 0.1490 0.8152 0.9046 -0.1279 -0.0042 -0.0154 268 PHE b CD2 ? ? 1 +31156 C CE1 . PHE V 267 0.1325 0.8104 0.8906 -0.1153 -0.0126 -0.0121 268 PHE b CE1 ? ? 1 +31157 C CE2 . PHE V 267 0.1415 0.8219 0.9089 -0.1268 -0.0072 -0.0176 268 PHE b CE2 ? ? 1 +31158 C CZ . PHE V 267 0.1329 0.8187 0.9011 -0.1204 -0.0115 -0.0159 268 PHE b CZ ? ? 1 +31159 C C . PHE V 267 0.1651 0.7871 0.8784 -0.1203 0.0041 -0.0030 268 PHE b C ? ? 1 +31160 O O . PHE V 267 0.1632 0.7813 0.8702 -0.1156 0.0008 -0.0013 268 PHE b O ? ? 1 +31161 N N . GLY V 268 0.1734 0.7869 0.8823 -0.1247 0.0095 -0.0028 269 GLY b N ? ? 1 +31162 C CA . GLY V 268 0.1812 0.7794 0.8768 -0.1242 0.0117 -0.0006 269 GLY b CA ? ? 1 +31163 C C . GLY V 268 0.1897 0.7811 0.8825 -0.1293 0.0122 -0.0033 269 GLY b C ? ? 1 +31164 O O . GLY V 268 0.1874 0.7864 0.8883 -0.1326 0.0099 -0.0069 269 GLY b O ? ? 1 +31165 N N . PRO V 269 0.1992 0.7757 0.8798 -0.1298 0.0150 -0.0017 270 PRO b N ? ? 1 +31166 C CA . PRO V 269 0.2091 0.7774 0.8854 -0.1343 0.0153 -0.0040 270 PRO b CA ? ? 1 +31167 C CB . PRO V 269 0.2203 0.7719 0.8827 -0.1338 0.0195 -0.0012 270 PRO b CB ? ? 1 +31168 C CG . PRO V 269 0.2146 0.7662 0.8731 -0.1272 0.0191 0.0028 270 PRO b CG ? ? 1 +31169 C CD . PRO V 269 0.2025 0.7691 0.8729 -0.1263 0.0179 0.0023 270 PRO b CD ? ? 1 +31170 C C . PRO V 269 0.2061 0.7762 0.8819 -0.1315 0.0095 -0.0054 270 PRO b C ? ? 1 +31171 O O . PRO V 269 0.1980 0.7730 0.8741 -0.1255 0.0055 -0.0038 270 PRO b O ? ? 1 +31172 N N . THR V 270 0.2139 0.7798 0.8888 -0.1363 0.0093 -0.0085 271 THR b N ? ? 1 +31173 C CA . THR V 270 0.2138 0.7795 0.8867 -0.1342 0.0042 -0.0100 271 THR b CA ? ? 1 +31174 C CB . THR V 270 0.2169 0.7866 0.8964 -0.1405 0.0029 -0.0148 271 THR b CB ? ? 1 +31175 O OG1 . THR V 270 0.2300 0.7869 0.9025 -0.1460 0.0072 -0.0157 271 THR b OG1 ? ? 1 +31176 C CG2 . THR V 270 0.2093 0.7939 0.9031 -0.1438 0.0026 -0.0172 271 THR b CG2 ? ? 1 +31177 C C . THR V 270 0.2242 0.7740 0.8825 -0.1316 0.0051 -0.0078 271 THR b C ? ? 1 +31178 O O . THR V 270 0.2329 0.7715 0.8835 -0.1332 0.0098 -0.0061 271 THR b O ? ? 1 +31179 N N . ARG V 271 0.2245 0.7730 0.8789 -0.1277 0.0007 -0.0081 272 ARG b N ? ? 1 +31180 C CA . ARG V 271 0.2345 0.7685 0.8756 -0.1247 0.0013 -0.0063 272 ARG b CA ? ? 1 +31181 C CB . ARG V 271 0.2307 0.7660 0.8689 -0.1193 -0.0038 -0.0063 272 ARG b CB ? ? 1 +31182 C CG . ARG V 271 0.2315 0.7710 0.8741 -0.1227 -0.0074 -0.0105 272 ARG b CG ? ? 1 +31183 C CD . ARG V 271 0.2339 0.7678 0.8686 -0.1183 -0.0107 -0.0105 272 ARG b CD ? ? 1 +31184 N NE . ARG V 271 0.2462 0.7640 0.8685 -0.1185 -0.0078 -0.0096 272 ARG b NE ? ? 1 +31185 C CZ . ARG V 271 0.2480 0.7576 0.8606 -0.1132 -0.0090 -0.0080 272 ARG b CZ ? ? 1 +31186 N NH1 . ARG V 271 0.2400 0.7557 0.8535 -0.1076 -0.0128 -0.0073 272 ARG b NH1 ? ? 1 +31187 N NH2 . ARG V 271 0.2596 0.7542 0.8611 -0.1135 -0.0061 -0.0073 272 ARG b NH2 ? ? 1 +31188 C C . ARG V 271 0.2501 0.7727 0.8857 -0.1311 0.0043 -0.0086 272 ARG b C ? ? 1 +31189 O O . ARG V 271 0.2619 0.7703 0.8862 -0.1305 0.0073 -0.0068 272 ARG b O ? ? 1 +31190 N N . TYR V 272 0.2527 0.7814 0.8965 -0.1374 0.0036 -0.0128 273 TYR b N ? ? 1 +31191 C CA . TYR V 272 0.2660 0.7844 0.9053 -0.1439 0.0059 -0.0156 273 TYR b CA ? ? 1 +31192 C CB . TYR V 272 0.2629 0.7915 0.9129 -0.1493 0.0028 -0.0206 273 TYR b CB ? ? 1 +31193 C CG . TYR V 272 0.2538 0.7894 0.9055 -0.1444 -0.0037 -0.0216 273 TYR b CG ? ? 1 +31194 C CD1 . TYR V 272 0.2605 0.7867 0.9031 -0.1429 -0.0061 -0.0225 273 TYR b CD1 ? ? 1 +31195 C CD2 . TYR V 272 0.2395 0.7901 0.9010 -0.1408 -0.0072 -0.0212 273 TYR b CD2 ? ? 1 +31196 C CE1 . TYR V 272 0.2545 0.7865 0.8978 -0.1382 -0.0118 -0.0232 273 TYR b CE1 ? ? 1 +31197 C CE2 . TYR V 272 0.2335 0.7895 0.8954 -0.1360 -0.0129 -0.0217 273 TYR b CE2 ? ? 1 +31198 C CZ . TYR V 272 0.2409 0.7876 0.8936 -0.1347 -0.0151 -0.0227 273 TYR b CZ ? ? 1 +31199 O OH . TYR V 272 0.2355 0.7874 0.8882 -0.1299 -0.0205 -0.0232 273 TYR b OH ? ? 1 +31200 C C . TYR V 272 0.2774 0.7867 0.9126 -0.1481 0.0125 -0.0142 273 TYR b C ? ? 1 +31201 O O . TYR V 272 0.2922 0.7874 0.9181 -0.1514 0.0154 -0.0147 273 TYR b O ? ? 1 +31202 N N . GLN V 273 0.2736 0.7898 0.9144 -0.1476 0.0149 -0.0122 274 GLN b N ? ? 1 +31203 C CA . GLN V 273 0.2853 0.7927 0.9215 -0.1511 0.0214 -0.0106 274 GLN b CA ? ? 1 +31204 C CB . GLN V 273 0.2766 0.7961 0.9228 -0.1513 0.0232 -0.0097 274 GLN b CB ? ? 1 +31205 C CG . GLN V 273 0.2723 0.8063 0.9338 -0.1572 0.0223 -0.0140 274 GLN b CG ? ? 1 +31206 C CD . GLN V 273 0.2620 0.8089 0.9340 -0.1570 0.0237 -0.0134 274 GLN b CD ? ? 1 +31207 O OE1 . GLN V 273 0.2519 0.8047 0.9250 -0.1506 0.0215 -0.0107 274 GLN b OE1 ? ? 1 +31208 N NE2 . GLN V 273 0.2656 0.8170 0.9457 -0.1640 0.0275 -0.0160 274 GLN b NE2 ? ? 1 +31209 C C . GLN V 273 0.2965 0.7876 0.9170 -0.1464 0.0235 -0.0067 274 GLN b C ? ? 1 +31210 O O . GLN V 273 0.3087 0.7867 0.9209 -0.1499 0.0285 -0.0059 274 GLN b O ? ? 1 +31211 N N . TRP V 274 0.2942 0.7859 0.9106 -0.1384 0.0196 -0.0042 275 TRP b N ? ? 1 +31212 C CA . TRP V 274 0.3049 0.7821 0.9069 -0.1332 0.0205 -0.0009 275 TRP b CA ? ? 1 +31213 C CB . TRP V 274 0.2952 0.7784 0.8971 -0.1245 0.0166 0.0020 275 TRP b CB ? ? 1 +31214 C CG . TRP V 274 0.3045 0.7741 0.8926 -0.1186 0.0170 0.0050 275 TRP b CG ? ? 1 +31215 C CD1 . TRP V 274 0.3080 0.7723 0.8895 -0.1142 0.0139 0.0051 275 TRP b CD1 ? ? 1 +31216 N NE1 . TRP V 274 0.3150 0.7673 0.8847 -0.1091 0.0152 0.0082 275 TRP b NE1 ? ? 1 +31217 C CE2 . TRP V 274 0.3176 0.7668 0.8854 -0.1102 0.0191 0.0103 275 TRP b CE2 ? ? 1 +31218 C CZ2 . TRP V 274 0.3256 0.7633 0.8824 -0.1062 0.0215 0.0136 275 TRP b CZ2 ? ? 1 +31219 C CH2 . TRP V 274 0.3277 0.7644 0.8846 -0.1084 0.0253 0.0151 275 TRP b CH2 ? ? 1 +31220 C CZ3 . TRP V 274 0.3220 0.7690 0.8900 -0.1145 0.0271 0.0133 275 TRP b CZ3 ? ? 1 +31221 C CE3 . TRP V 274 0.3133 0.7721 0.8928 -0.1184 0.0247 0.0100 275 TRP b CE3 ? ? 1 +31222 C CD2 . TRP V 274 0.3116 0.7714 0.8908 -0.1162 0.0205 0.0084 275 TRP b CD2 ? ? 1 +31223 C C . TRP V 274 0.3200 0.7848 0.9130 -0.1345 0.0199 -0.0026 275 TRP b C ? ? 1 +31224 O O . TRP V 274 0.3348 0.7839 0.9161 -0.1353 0.0234 -0.0014 275 TRP b O ? ? 1 +31225 N N . ASP V 275 0.3198 0.7912 0.9178 -0.1348 0.0154 -0.0056 276 ASP b N ? ? 1 +31226 C CA . ASP V 275 0.3332 0.7938 0.9231 -0.1360 0.0143 -0.0076 276 ASP b CA ? ? 1 +31227 C CB . ASP V 275 0.3278 0.7988 0.9257 -0.1369 0.0091 -0.0113 276 ASP b CB ? ? 1 +31228 C CG . ASP V 275 0.3163 0.7975 0.9176 -0.1296 0.0041 -0.0098 276 ASP b CG ? ? 1 +31229 O OD1 . ASP V 275 0.3207 0.7968 0.9145 -0.1227 0.0040 -0.0063 276 ASP b OD1 ? ? 1 +31230 O OD2 . ASP V 275 0.3067 0.8009 0.9181 -0.1305 0.0003 -0.0123 276 ASP b OD2 ? ? 1 +31231 C C . ASP V 275 0.3505 0.7984 0.9350 -0.1436 0.0190 -0.0094 276 ASP b C ? ? 1 +31232 O O . ASP V 275 0.3659 0.7982 0.9379 -0.1429 0.0203 -0.0089 276 ASP b O ? ? 1 +31233 N N . SER V 276 0.3497 0.8045 0.9437 -0.1509 0.0217 -0.0116 277 SER b N ? ? 1 +31234 C CA . SER V 276 0.3652 0.8094 0.9558 -0.1591 0.0266 -0.0136 277 SER b CA ? ? 1 +31235 C CB . SER V 276 0.3595 0.8162 0.9642 -0.1669 0.0258 -0.0184 277 SER b CB ? ? 1 +31236 O OG . SER V 276 0.3442 0.8170 0.9616 -0.1666 0.0257 -0.0180 277 SER b OG ? ? 1 +31237 C C . SER V 276 0.3757 0.8112 0.9607 -0.1608 0.0330 -0.0107 277 SER b C ? ? 1 +31238 O O . SER V 276 0.3883 0.8147 0.9702 -0.1678 0.0379 -0.0121 277 SER b O ? ? 1 +31239 N N . SER V 277 0.3737 0.8114 0.9567 -0.1543 0.0332 -0.0066 278 SER b N ? ? 1 +31240 C CA . SER V 277 0.3837 0.8133 0.9606 -0.1549 0.0389 -0.0036 278 SER b CA ? ? 1 +31241 C CB . SER V 277 0.4031 0.8107 0.9627 -0.1547 0.0423 -0.0019 278 SER b CB ? ? 1 +31242 O OG . SER V 277 0.4072 0.8087 0.9582 -0.1474 0.0382 -0.0006 278 SER b OG ? ? 1 +31243 C C . SER V 277 0.3880 0.8243 0.9748 -0.1633 0.0433 -0.0057 278 SER b C ? ? 1 +31244 O O . SER V 277 0.4029 0.8280 0.9834 -0.1679 0.0494 -0.0051 278 SER b O ? ? 1 +31245 N N . TYR V 278 0.3755 0.8303 0.9780 -0.1650 0.0403 -0.0084 279 TYR b N ? ? 1 +31246 C CA . TYR V 278 0.3724 0.8369 0.9870 -0.1725 0.0437 -0.0109 279 TYR b CA ? ? 1 +31247 C CB . TYR V 278 0.3533 0.8388 0.9839 -0.1711 0.0385 -0.0131 279 TYR b CB ? ? 1 +31248 C CG . TYR V 278 0.3466 0.8449 0.9918 -0.1781 0.0411 -0.0163 279 TYR b CG ? ? 1 +31249 C CD1 . TYR V 278 0.3528 0.8519 1.0037 -0.1866 0.0423 -0.0208 279 TYR b CD1 ? ? 1 +31250 C CD2 . TYR V 278 0.3347 0.8450 0.9885 -0.1762 0.0420 -0.0149 279 TYR b CD2 ? ? 1 +31251 C CE1 . TYR V 278 0.3492 0.8611 1.0144 -0.1930 0.0446 -0.0240 279 TYR b CE1 ? ? 1 +31252 C CE2 . TYR V 278 0.3302 0.8530 0.9979 -0.1822 0.0443 -0.0179 279 TYR b CE2 ? ? 1 +31253 C CZ . TYR V 278 0.3376 0.8615 1.0113 -0.1907 0.0457 -0.0225 279 TYR b CZ ? ? 1 +31254 O OH . TYR V 278 0.3326 0.8694 1.0208 -0.1968 0.0481 -0.0258 279 TYR b OH ? ? 1 +31255 C C . TYR V 278 0.3777 0.8382 0.9891 -0.1728 0.0497 -0.0078 279 TYR b C ? ? 1 +31256 O O . TYR V 278 0.3915 0.8450 1.0011 -0.1797 0.0557 -0.0087 279 TYR b O ? ? 1 +31257 N N . PHE V 279 0.3716 0.8359 0.9815 -0.1653 0.0481 -0.0042 280 PHE b N ? ? 1 +31258 C CA . PHE V 279 0.3763 0.8374 0.9828 -0.1648 0.0531 -0.0011 280 PHE b CA ? ? 1 +31259 C CB . PHE V 279 0.3585 0.8296 0.9683 -0.1567 0.0494 0.0017 280 PHE b CB ? ? 1 +31260 C CG . PHE V 279 0.3394 0.8310 0.9662 -0.1571 0.0456 -0.0009 280 PHE b CG ? ? 1 +31261 C CD1 . PHE V 279 0.3359 0.8380 0.9743 -0.1625 0.0488 -0.0029 280 PHE b CD1 ? ? 1 +31262 C CD2 . PHE V 279 0.3265 0.8266 0.9575 -0.1521 0.0388 -0.0015 280 PHE b CD2 ? ? 1 +31263 C CE1 . PHE V 279 0.3199 0.8407 0.9737 -0.1624 0.0450 -0.0053 280 PHE b CE1 ? ? 1 +31264 C CE2 . PHE V 279 0.3126 0.8307 0.9584 -0.1522 0.0352 -0.0038 280 PHE b CE2 ? ? 1 +31265 C CZ . PHE V 279 0.3094 0.8377 0.9665 -0.1572 0.0381 -0.0057 280 PHE b CZ ? ? 1 +31266 C C . PHE V 279 0.4014 0.8410 0.9903 -0.1647 0.0580 0.0017 280 PHE b C ? ? 1 +31267 O O . PHE V 279 0.4146 0.8480 1.0006 -0.1692 0.0643 0.0024 280 PHE b O ? ? 1 +31268 N N . GLN V 280 0.4129 0.8410 0.9900 -0.1596 0.0552 0.0033 281 GLN b N ? ? 1 +31269 C CA . GLN V 280 0.4335 0.8405 0.9931 -0.1590 0.0592 0.0058 281 GLN b CA ? ? 1 +31270 C CB . GLN V 280 0.4402 0.8379 0.9896 -0.1528 0.0548 0.0068 281 GLN b CB ? ? 1 +31271 C CG . GLN V 280 0.4647 0.8396 0.9955 -0.1521 0.0586 0.0091 281 GLN b CG ? ? 1 +31272 C CD . GLN V 280 0.4745 0.8414 0.9952 -0.1441 0.0540 0.0106 281 GLN b CD ? ? 1 +31273 O OE1 . GLN V 280 0.4787 0.8499 1.0030 -0.1434 0.0497 0.0083 281 GLN b OE1 ? ? 1 +31274 N NE2 . GLN V 280 0.4835 0.8389 0.9914 -0.1377 0.0547 0.0145 281 GLN b NE2 ? ? 1 +31275 C C . GLN V 280 0.4522 0.8486 1.0087 -0.1685 0.0653 0.0036 281 GLN b C ? ? 1 +31276 O O . GLN V 280 0.4644 0.8468 1.0102 -0.1702 0.0711 0.0058 281 GLN b O ? ? 1 +31277 N N . GLN V 281 0.4541 0.8564 1.0194 -0.1747 0.0640 -0.0008 282 GLN b N ? ? 1 +31278 C CA . GLN V 281 0.4709 0.8644 1.0348 -0.1844 0.0696 -0.0035 282 GLN b CA ? ? 1 +31279 C CB . GLN V 281 0.4754 0.8774 1.0497 -0.1897 0.0661 -0.0086 282 GLN b CB ? ? 1 +31280 C CG . GLN V 281 0.4895 0.8799 1.0535 -0.1870 0.0625 -0.0091 282 GLN b CG ? ? 1 +31281 C CD . GLN V 281 0.4939 0.8947 1.0691 -0.1916 0.0584 -0.0142 282 GLN b CD ? ? 1 +31282 O OE1 . GLN V 281 0.4993 0.9062 1.0846 -0.2006 0.0610 -0.0181 282 GLN b OE1 ? ? 1 +31283 N NE2 . GLN V 281 0.4896 0.8935 1.0638 -0.1853 0.0518 -0.0144 282 GLN b NE2 ? ? 1 +31284 C C . GLN V 281 0.4679 0.8659 1.0384 -0.1907 0.0760 -0.0038 282 GLN b C ? ? 1 +31285 O O . GLN V 281 0.4843 0.8680 1.0461 -0.1962 0.0826 -0.0034 282 GLN b O ? ? 1 +31286 N N . GLU V 282 0.4489 0.8661 1.0341 -0.1899 0.0742 -0.0045 283 GLU b N ? ? 1 +31287 C CA . GLU V 282 0.4503 0.8734 1.0427 -0.1950 0.0801 -0.0048 283 GLU b CA ? ? 1 +31288 C CB . GLU V 282 0.4320 0.8785 1.0426 -0.1935 0.0763 -0.0065 283 GLU b CB ? ? 1 +31289 C CG . GLU V 282 0.4312 0.8858 1.0508 -0.1985 0.0822 -0.0071 283 GLU b CG ? ? 1 +31290 C CD . GLU V 282 0.4434 0.8950 1.0671 -0.2095 0.0886 -0.0106 283 GLU b CD ? ? 1 +31291 O OE1 . GLU V 282 0.4506 0.8967 1.0731 -0.2141 0.0877 -0.0135 283 GLU b OE1 ? ? 1 +31292 O OE2 . GLU V 282 0.4474 0.9017 1.0751 -0.2135 0.0948 -0.0105 283 GLU b OE2 ? ? 1 +31293 C C . GLU V 282 0.4611 0.8714 1.0401 -0.1915 0.0850 -0.0001 283 GLU b C ? ? 1 +31294 O O . GLU V 282 0.4741 0.8774 1.0501 -0.1973 0.0922 0.0001 283 GLU b O ? ? 1 +31295 N N . ILE V 283 0.4614 0.8689 1.0324 -0.1819 0.0809 0.0036 284 ILE b N ? ? 1 +31296 C CA . ILE V 283 0.4724 0.8668 1.0293 -0.1775 0.0843 0.0082 284 ILE b CA ? ? 1 +31297 C CB . ILE V 283 0.4603 0.8563 1.0123 -0.1664 0.0778 0.0114 284 ILE b CB ? ? 1 +31298 C CG1 . ILE V 283 0.4386 0.8551 1.0050 -0.1630 0.0741 0.0112 284 ILE b CG1 ? ? 1 +31299 C CG2 . ILE V 283 0.4714 0.8496 1.0051 -0.1611 0.0804 0.0160 284 ILE b CG2 ? ? 1 +31300 C CD1 . ILE V 283 0.4281 0.8511 0.9950 -0.1537 0.0665 0.0127 284 ILE b CD1 ? ? 1 +31301 C C . ILE V 283 0.5029 0.8744 1.0432 -0.1811 0.0899 0.0093 284 ILE b C ? ? 1 +31302 O O . ILE V 283 0.5117 0.8735 1.0445 -0.1837 0.0965 0.0111 284 ILE b O ? ? 1 +31303 N N . ASN V 284 0.5248 0.8872 1.0589 -0.1813 0.0874 0.0081 285 ASN b N ? ? 1 +31304 C CA . ASN V 284 0.5619 0.9016 1.0795 -0.1843 0.0921 0.0090 285 ASN b CA ? ? 1 +31305 C CB . ASN V 284 0.5769 0.9082 1.0877 -0.1819 0.0876 0.0080 285 ASN b CB ? ? 1 +31306 C CG . ASN V 284 0.5876 0.9153 1.0893 -0.1705 0.0819 0.0114 285 ASN b CG ? ? 1 +31307 O OD1 . ASN V 284 0.5928 0.9193 1.0892 -0.1642 0.0820 0.0151 285 ASN b OD1 ? ? 1 +31308 N ND2 . ASN V 284 0.5974 0.9234 1.0971 -0.1675 0.0769 0.0102 285 ASN b ND2 ? ? 1 +31309 C C . ASN V 284 0.5783 0.9152 1.0999 -0.1957 0.0995 0.0062 285 ASN b C ? ? 1 +31310 O O . ASN V 284 0.6000 0.9198 1.1087 -0.1987 0.1060 0.0081 285 ASN b O ? ? 1 +31311 N N . ARG V 285 0.5785 0.9322 1.1177 -0.2020 0.0982 0.0016 286 ARG b N ? ? 1 +31312 C CA . ARG V 285 0.5913 0.9461 1.1376 -0.2131 0.1049 -0.0016 286 ARG b CA ? ? 1 +31313 C CB . ARG V 285 0.5867 0.9636 1.1546 -0.2180 0.1014 -0.0067 286 ARG b CB ? ? 1 +31314 C CG . ARG V 285 0.6110 0.9894 1.1871 -0.2300 0.1079 -0.0108 286 ARG b CG ? ? 1 +31315 C CD . ARG V 285 0.6079 1.0108 1.2069 -0.2344 0.1052 -0.0156 286 ARG b CD ? ? 1 +31316 N NE . ARG V 285 0.6062 1.0246 1.2153 -0.2310 0.1053 -0.0143 286 ARG b NE ? ? 1 +31317 C CZ . ARG V 285 0.6173 1.0353 1.2271 -0.2343 0.1126 -0.0131 286 ARG b CZ ? ? 1 +31318 N NH1 . ARG V 285 0.6436 1.0491 1.2477 -0.2427 0.1208 -0.0138 286 ARG b NH1 ? ? 1 +31319 N NH2 . ARG V 285 0.6033 1.0341 1.2202 -0.2294 0.1117 -0.0114 286 ARG b NH2 ? ? 1 +31320 C C . ARG V 285 0.5934 0.9464 1.1377 -0.2146 0.1119 0.0009 286 ARG b C ? ? 1 +31321 O O . ARG V 285 0.6149 0.9540 1.1511 -0.2210 0.1196 0.0013 286 ARG b O ? ? 1 +31322 N N . ARG V 286 0.5803 0.9467 1.1313 -0.2085 0.1094 0.0028 287 ARG b N ? ? 1 +31323 C CA . ARG V 286 0.5867 0.9526 1.1362 -0.2093 0.1155 0.0051 287 ARG b CA ? ? 1 +31324 C CB . ARG V 286 0.5657 0.9497 1.1256 -0.2024 0.1110 0.0062 287 ARG b CB ? ? 1 +31325 C CG . ARG V 286 0.5487 0.9550 1.1302 -0.2075 0.1106 0.0021 287 ARG b CG ? ? 1 +31326 C CD . ARG V 286 0.5290 0.9528 1.1205 -0.2003 0.1053 0.0030 287 ARG b CD ? ? 1 +31327 N NE . ARG V 286 0.5146 0.9595 1.1262 -0.2033 0.1015 -0.0014 287 ARG b NE ? ? 1 +31328 C CZ . ARG V 286 0.5008 0.9639 1.1266 -0.2022 0.1004 -0.0024 287 ARG b CZ ? ? 1 +31329 N NH1 . ARG V 286 0.4999 0.9631 1.1231 -0.1997 0.1042 0.0003 287 ARG b NH1 ? ? 1 +31330 N NH2 . ARG V 286 0.4902 0.9713 1.1325 -0.2033 0.0954 -0.0062 287 ARG b NH2 ? ? 1 +31331 C C . ARG V 286 0.6135 0.9559 1.1410 -0.2064 0.1202 0.0097 287 ARG b C ? ? 1 +31332 O O . ARG V 286 0.6337 0.9666 1.1557 -0.2120 0.1283 0.0103 287 ARG b O ? ? 1 +31333 N N . VAL V 287 0.6237 0.9569 1.1389 -0.1974 0.1151 0.0127 288 VAL b N ? ? 1 +31334 C CA . VAL V 287 0.6487 0.9593 1.1423 -0.1935 0.1184 0.0171 288 VAL b CA ? ? 1 +31335 C CB . VAL V 287 0.6369 0.9432 1.1213 -0.1823 0.1107 0.0198 288 VAL b CB ? ? 1 +31336 C CG1 . VAL V 287 0.6561 0.9375 1.1175 -0.1783 0.1135 0.0238 288 VAL b CG1 ? ? 1 +31337 C CG2 . VAL V 287 0.6106 0.9333 1.1034 -0.1747 0.1056 0.0213 288 VAL b CG2 ? ? 1 +31338 C C . VAL V 287 0.6846 0.9752 1.1666 -0.2012 0.1251 0.0164 288 VAL b C ? ? 1 +31339 O O . VAL V 287 0.7042 0.9790 1.1726 -0.2025 0.1317 0.0191 288 VAL b O ? ? 1 +31340 N N . GLN V 288 0.7091 0.9997 1.1957 -0.2063 0.1235 0.0128 289 GLN b N ? ? 1 +31341 C CA . GLN V 288 0.7506 1.0233 1.2277 -0.2146 0.1298 0.0115 289 GLN b CA ? ? 1 +31342 C CB . GLN V 288 0.7684 1.0442 1.2525 -0.2191 0.1261 0.0071 289 GLN b CB ? ? 1 +31343 C CG . GLN V 288 0.7823 1.0576 1.2623 -0.2103 0.1173 0.0077 289 GLN b CG ? ? 1 +31344 C CD . GLN V 288 0.8266 1.0777 1.2840 -0.2044 0.1176 0.0114 289 GLN b CD ? ? 1 +31345 O OE1 . GLN V 288 0.8831 1.1145 1.3276 -0.2096 0.1235 0.0116 289 GLN b OE1 ? ? 1 +31346 N NE2 . GLN V 288 0.8295 1.0811 1.2813 -0.1934 0.1113 0.0143 289 GLN b NE2 ? ? 1 +31347 C C . GLN V 288 0.7595 1.0338 1.2425 -0.2246 0.1388 0.0100 289 GLN b C ? ? 1 +31348 O O . GLN V 288 0.7817 1.0368 1.2507 -0.2289 0.1463 0.0116 289 GLN b O ? ? 1 +31349 N N . ALA V 289 0.7451 1.0423 1.2489 -0.2284 0.1380 0.0068 290 ALA b N ? ? 1 +31350 C CA . ALA V 289 0.7520 1.0541 1.2640 -0.2375 0.1462 0.0050 290 ALA b CA ? ? 1 +31351 C CB . ALA V 289 0.7247 1.0545 1.2609 -0.2395 0.1430 0.0013 290 ALA b CB ? ? 1 +31352 C C . ALA V 289 0.7704 1.0612 1.2695 -0.2349 0.1525 0.0096 290 ALA b C ? ? 1 +31353 O O . ALA V 289 0.7834 1.0639 1.2774 -0.2424 0.1615 0.0096 290 ALA b O ? ? 1 +31354 N N . SER V 290 0.7741 1.0665 1.2676 -0.2243 0.1477 0.0134 291 SER b N ? ? 1 +31355 C CA . SER V 290 0.7847 1.0653 1.2642 -0.2206 0.1526 0.0178 291 SER b CA ? ? 1 +31356 C CB . SER V 290 0.7601 1.0500 1.2400 -0.2093 0.1458 0.0207 291 SER b CB ? ? 1 +31357 O OG . SER V 290 0.7300 1.0424 1.2286 -0.2104 0.1452 0.0188 291 SER b OG ? ? 1 +31358 C C . SER V 290 0.8173 1.0692 1.2726 -0.2202 0.1570 0.0211 291 SER b C ? ? 1 +31359 O O . SER V 290 0.8385 1.0772 1.2837 -0.2245 0.1655 0.0227 291 SER b O ? ? 1 +31360 N N . LEU V 291 0.8196 1.0617 1.2653 -0.2148 0.1512 0.0219 292 LEU b N ? ? 1 +31361 C CA . LEU V 291 0.8450 1.0597 1.2675 -0.2136 0.1544 0.0249 292 LEU b CA ? ? 1 +31362 C CB . LEU V 291 0.8313 1.0403 1.2475 -0.2070 0.1466 0.0251 292 LEU b CB ? ? 1 +31363 C CG . LEU V 291 0.8118 1.0279 1.2268 -0.1945 0.1381 0.0278 292 LEU b CG ? ? 1 +31364 C CD1 . LEU V 291 0.8141 1.0217 1.2211 -0.1888 0.1318 0.0279 292 LEU b CD1 ? ? 1 +31365 C CD2 . LEU V 291 0.8178 1.0227 1.2176 -0.1878 0.1403 0.0326 292 LEU b CD2 ? ? 1 +31366 C C . LEU V 291 0.8751 1.0770 1.2940 -0.2254 0.1635 0.0229 292 LEU b C ? ? 1 +31367 O O . LEU V 291 0.8945 1.0763 1.2964 -0.2270 0.1707 0.0257 292 LEU b O ? ? 1 +31368 N N . ALA V 292 0.8862 1.1000 1.3211 -0.2337 0.1632 0.0178 293 ALA b N ? ? 1 +31369 C CA . ALA V 292 0.9126 1.1173 1.3474 -0.2459 0.1714 0.0150 293 ALA b CA ? ? 1 +31370 C CB . ALA V 292 0.8989 1.1218 1.3545 -0.2529 0.1681 0.0091 293 ALA b CB ? ? 1 +31371 C C . ALA V 292 0.9238 1.1270 1.3590 -0.2525 0.1813 0.0157 293 ALA b C ? ? 1 +31372 O O . ALA V 292 0.9576 1.1442 1.3835 -0.2607 0.1898 0.0155 293 ALA b O ? ? 1 +31373 N N . SER V 293 0.9143 1.1346 1.3601 -0.2492 0.1806 0.0164 294 SER b N ? ? 1 +31374 C CA . SER V 293 0.9292 1.1484 1.3747 -0.2542 0.1898 0.0174 294 SER b CA ? ? 1 +31375 C CB . SER V 293 0.9094 1.1569 1.3789 -0.2559 0.1884 0.0144 294 SER b CB ? ? 1 +31376 O OG . SER V 293 0.9126 1.1712 1.3843 -0.2448 0.1806 0.0167 294 SER b OG ? ? 1 +31377 C C . SER V 293 0.9550 1.1573 1.3796 -0.2463 0.1920 0.0233 294 SER b C ? ? 1 +31378 O O . SER V 293 0.9528 1.1584 1.3783 -0.2469 0.1973 0.0246 294 SER b O ? ? 1 +31379 N N . GLY V 294 0.9803 1.1650 1.3864 -0.2384 0.1877 0.0266 295 GLY b N ? ? 1 +31380 C CA . GLY V 294 0.9911 1.1551 1.3742 -0.2317 0.1904 0.0320 295 GLY b CA ? ? 1 +31381 C C . GLY V 294 0.9688 1.1402 1.3498 -0.2195 0.1835 0.0353 295 GLY b C ? ? 1 +31382 O O . GLY V 294 0.9748 1.1289 1.3361 -0.2130 0.1846 0.0397 295 GLY b O ? ? 1 +31383 N N . ALA V 295 0.9311 1.1278 1.3319 -0.2163 0.1765 0.0331 296 ALA b N ? ? 1 +31384 C CA . ALA V 295 0.9101 1.1152 1.3105 -0.2053 0.1700 0.0358 296 ALA b CA ? ? 1 +31385 C CB . ALA V 295 0.8823 1.1165 1.3071 -0.2045 0.1638 0.0327 296 ALA b CB ? ? 1 +31386 C C . ALA V 295 0.8960 1.0880 1.2808 -0.1953 0.1630 0.0388 296 ALA b C ? ? 1 +31387 O O . ALA V 295 0.9079 1.0926 1.2896 -0.1962 0.1606 0.0376 296 ALA b O ? ? 1 +31388 N N . THR V 296 0.8811 1.0697 1.2560 -0.1856 0.1598 0.0426 297 THR b N ? ? 1 +31389 C CA . THR V 296 0.8771 1.0552 1.2385 -0.1753 0.1528 0.0453 297 THR b CA ? ? 1 +31390 C CB . THR V 296 0.8930 1.0585 1.2367 -0.1670 0.1531 0.0500 297 THR b CB ? ? 1 +31391 O OG1 . THR V 296 0.9260 1.0812 1.2571 -0.1574 0.1463 0.0522 297 THR b OG1 ? ? 1 +31392 C CG2 . THR V 296 0.8715 1.0550 1.2260 -0.1631 0.1507 0.0503 297 THR b CG2 ? ? 1 +31393 C C . THR V 296 0.8356 1.0347 1.2135 -0.1701 0.1429 0.0432 297 THR b C ? ? 1 +31394 O O . THR V 296 0.8043 1.0253 1.2025 -0.1736 0.1414 0.0402 297 THR b O ? ? 1 +31395 N N . LEU V 297 0.8314 1.0234 1.2001 -0.1616 0.1362 0.0449 298 LEU b N ? ? 1 +31396 C CA . LEU V 297 0.8012 1.0103 1.1833 -0.1566 0.1271 0.0430 298 LEU b CA ? ? 1 +31397 C CB . LEU V 297 0.8120 1.0070 1.1792 -0.1480 0.1218 0.0452 298 LEU b CB ? ? 1 +31398 C CG . LEU V 297 0.8056 1.0085 1.1814 -0.1466 0.1152 0.0426 298 LEU b CG ? ? 1 +31399 C CD1 . LEU V 297 0.8065 1.0135 1.1930 -0.1574 0.1187 0.0384 298 LEU b CD1 ? ? 1 +31400 C CD2 . LEU V 297 0.8201 1.0042 1.1781 -0.1396 0.1123 0.0447 298 LEU b CD2 ? ? 1 +31401 C C . LEU V 297 0.7725 1.0021 1.1675 -0.1518 0.1229 0.0433 298 LEU b C ? ? 1 +31402 O O . LEU V 297 0.7466 0.9968 1.1601 -0.1526 0.1183 0.0405 298 LEU b O ? ? 1 +31403 N N . GLU V 298 0.7778 1.0013 1.1628 -0.1474 0.1248 0.0465 299 GLU b N ? ? 1 +31404 C CA . GLU V 298 0.7654 1.0059 1.1603 -0.1428 0.1213 0.0470 299 GLU b CA ? ? 1 +31405 C CB . GLU V 298 0.8152 1.0424 1.1931 -0.1366 0.1230 0.0510 299 GLU b CB ? ? 1 +31406 C CG . GLU V 298 0.8725 1.0818 1.2316 -0.1282 0.1190 0.0539 299 GLU b CG ? ? 1 +31407 C CD . GLU V 298 0.9341 1.1321 1.2770 -0.1205 0.1187 0.0578 299 GLU b CD ? ? 1 +31408 O OE1 . GLU V 298 0.9817 1.1845 1.3267 -0.1219 0.1221 0.0584 299 GLU b OE1 ? ? 1 +31409 O OE2 . GLU V 298 0.9668 1.1513 1.2950 -0.1129 0.1148 0.0600 299 GLU b OE2 ? ? 1 +31410 C C . GLU V 298 0.7270 0.9851 1.1403 -0.1508 0.1253 0.0441 299 GLU b C ? ? 1 +31411 O O . GLU V 298 0.6980 0.9767 1.1276 -0.1490 0.1206 0.0425 299 GLU b O ? ? 1 +31412 N N . GLU V 299 0.7182 0.9677 1.1284 -0.1597 0.1341 0.0433 300 GLU b N ? ? 1 +31413 C CA . GLU V 299 0.6941 0.9590 1.1212 -0.1679 0.1388 0.0404 300 GLU b CA ? ? 1 +31414 C CB . GLU V 299 0.7297 0.9795 1.1477 -0.1766 0.1495 0.0406 300 GLU b CB ? ? 1 +31415 C CG . GLU V 299 0.7566 0.9910 1.1568 -0.1731 0.1542 0.0446 300 GLU b CG ? ? 1 +31416 C CD . GLU V 299 0.7965 1.0119 1.1839 -0.1810 0.1649 0.0454 300 GLU b CD ? ? 1 +31417 O OE1 . GLU V 299 0.8109 1.0197 1.1988 -0.1884 0.1684 0.0434 300 GLU b OE1 ? ? 1 +31418 O OE2 . GLU V 299 0.8287 1.0358 1.2058 -0.1800 0.1701 0.0480 300 GLU b OE2 ? ? 1 +31419 C C . GLU V 299 0.6502 0.9328 1.0969 -0.1722 0.1349 0.0361 300 GLU b C ? ? 1 +31420 O O . GLU V 299 0.6255 0.9290 1.0901 -0.1732 0.1327 0.0338 300 GLU b O ? ? 1 +31421 N N . ALA V 300 0.6396 0.9131 1.0820 -0.1745 0.1338 0.0349 301 ALA b N ? ? 1 +31422 C CA . ALA V 300 0.6153 0.9028 1.0741 -0.1790 0.1304 0.0307 301 ALA b CA ? ? 1 +31423 C CB . ALA V 300 0.6284 0.9000 1.0770 -0.1811 0.1304 0.0301 301 ALA b CB ? ? 1 +31424 C C . ALA V 300 0.5869 0.8940 1.0590 -0.1721 0.1211 0.0299 301 ALA b C ? ? 1 +31425 O O . ALA V 300 0.5761 0.9027 1.0669 -0.1756 0.1194 0.0266 301 ALA b O ? ? 1 +31426 N N . TRP V 301 0.5737 0.8756 1.0360 -0.1622 0.1153 0.0329 302 TRP b N ? ? 1 +31427 C CA . TRP V 301 0.5409 0.8596 1.0139 -0.1551 0.1067 0.0325 302 TRP b CA ? ? 1 +31428 C CB . TRP V 301 0.5336 0.8414 0.9930 -0.1455 0.1010 0.0353 302 TRP b CB ? ? 1 +31429 C CG . TRP V 301 0.5273 0.8271 0.9828 -0.1466 0.0988 0.0339 302 TRP b CG ? ? 1 +31430 C CD1 . TRP V 301 0.5428 0.8208 0.9811 -0.1470 0.1017 0.0353 302 TRP b CD1 ? ? 1 +31431 N NE1 . TRP V 301 0.5387 0.8158 0.9789 -0.1480 0.0984 0.0331 302 TRP b NE1 ? ? 1 +31432 C CE2 . TRP V 301 0.5154 0.8138 0.9740 -0.1481 0.0933 0.0303 302 TRP b CE2 ? ? 1 +31433 C CZ2 . TRP V 301 0.5057 0.8111 0.9722 -0.1488 0.0886 0.0275 302 TRP b CZ2 ? ? 1 +31434 C CH2 . TRP V 301 0.4847 0.8120 0.9692 -0.1485 0.0840 0.0252 302 TRP b CH2 ? ? 1 +31435 C CZ3 . TRP V 301 0.4719 0.8139 0.9666 -0.1476 0.0839 0.0257 302 TRP b CZ3 ? ? 1 +31436 C CE3 . TRP V 301 0.4807 0.8158 0.9677 -0.1469 0.0886 0.0284 302 TRP b CE3 ? ? 1 +31437 C CD2 . TRP V 301 0.5044 0.8174 0.9729 -0.1472 0.0934 0.0308 302 TRP b CD2 ? ? 1 +31438 C C . TRP V 301 0.5320 0.8661 1.0147 -0.1527 0.1060 0.0330 302 TRP b C ? ? 1 +31439 O O . TRP V 301 0.5134 0.8665 1.0116 -0.1509 0.1008 0.0312 302 TRP b O ? ? 1 +31440 N N . SER V 302 0.5467 0.8722 1.0200 -0.1526 0.1114 0.0355 303 SER b N ? ? 1 +31441 C CA . SER V 302 0.5361 0.8749 1.0179 -0.1509 0.1117 0.0358 303 SER b CA ? ? 1 +31442 C CB . SER V 302 0.5512 0.8754 1.0176 -0.1497 0.1175 0.0391 303 SER b CB ? ? 1 +31443 O OG . SER V 302 0.5620 0.8730 1.0121 -0.1410 0.1137 0.0425 303 SER b OG ? ? 1 +31444 C C . SER V 302 0.5268 0.8833 1.0279 -0.1586 0.1145 0.0321 303 SER b C ? ? 1 +31445 O O . SER V 302 0.5136 0.8862 1.0264 -0.1564 0.1122 0.0315 303 SER b O ? ? 1 +31446 N N . ALA V 303 0.5366 0.8899 1.0410 -0.1674 0.1193 0.0295 304 ALA b N ? ? 1 +31447 C CA . ALA V 303 0.5274 0.8975 1.0505 -0.1750 0.1218 0.0255 304 ALA b CA ? ? 1 +31448 C CB . ALA V 303 0.5424 0.9023 1.0629 -0.1851 0.1298 0.0237 304 ALA b CB ? ? 1 +31449 C C . ALA V 303 0.5127 0.9012 1.0526 -0.1741 0.1143 0.0224 304 ALA b C ? ? 1 +31450 O O . ALA V 303 0.5074 0.9128 1.0643 -0.1785 0.1146 0.0192 304 ALA b O ? ? 1 +31451 N N . ILE V 304 0.5106 0.8957 1.0454 -0.1681 0.1074 0.0234 305 ILE b N ? ? 1 +31452 C CA . ILE V 304 0.4948 0.8961 1.0437 -0.1664 0.1002 0.0208 305 ILE b CA ? ? 1 +31453 C CB . ILE V 304 0.4948 0.8873 1.0347 -0.1610 0.0943 0.0218 305 ILE b CB ? ? 1 +31454 C CG1 . ILE V 304 0.5131 0.8882 1.0424 -0.1666 0.0983 0.0211 305 ILE b CG1 ? ? 1 +31455 C CG2 . ILE V 304 0.4755 0.8848 1.0292 -0.1585 0.0866 0.0195 305 ILE b CG2 ? ? 1 +31456 C CD1 . ILE V 304 0.5143 0.8971 1.0564 -0.1762 0.1005 0.0165 305 ILE b CD1 ? ? 1 +31457 C C . ILE V 304 0.4808 0.8995 1.0408 -0.1613 0.0962 0.0211 305 ILE b C ? ? 1 +31458 O O . ILE V 304 0.4798 0.8946 1.0315 -0.1542 0.0944 0.0244 305 ILE b O ? ? 1 +31459 N N . PRO V 305 0.4703 0.9082 1.0487 -0.1646 0.0948 0.0178 306 PRO b N ? ? 1 +31460 C CA . PRO V 305 0.4549 0.9090 1.0436 -0.1595 0.0908 0.0181 306 PRO b CA ? ? 1 +31461 C CB . PRO V 305 0.4425 0.9144 1.0504 -0.1656 0.0913 0.0138 306 PRO b CB ? ? 1 +31462 C CG . PRO V 305 0.4531 0.9200 1.0617 -0.1724 0.0926 0.0110 306 PRO b CG ? ? 1 +31463 C CD . PRO V 305 0.4702 0.9148 1.0602 -0.1732 0.0969 0.0135 306 PRO b CD ? ? 1 +31464 C C . PRO V 305 0.4468 0.9040 1.0341 -0.1512 0.0824 0.0195 306 PRO b C ? ? 1 +31465 O O . PRO V 305 0.4444 0.8989 1.0304 -0.1509 0.0788 0.0185 306 PRO b O ? ? 1 +31466 N N . GLU V 306 0.4458 0.9084 1.0332 -0.1446 0.0796 0.0217 307 GLU b N ? ? 1 +31467 C CA . GLU V 306 0.4471 0.9130 1.0332 -0.1366 0.0721 0.0231 307 GLU b CA ? ? 1 +31468 C CB . GLU V 306 0.4598 0.9306 1.0454 -0.1302 0.0703 0.0255 307 GLU b CB ? ? 1 +31469 C CG . GLU V 306 0.4977 0.9526 1.0663 -0.1262 0.0724 0.0292 307 GLU b CG ? ? 1 +31470 C CD . GLU V 306 0.5201 0.9804 1.0882 -0.1185 0.0682 0.0313 307 GLU b CD ? ? 1 +31471 O OE1 . GLU V 306 0.5568 1.0311 1.1364 -0.1185 0.0675 0.0303 307 GLU b OE1 ? ? 1 +31472 O OE2 . GLU V 306 0.5203 0.9709 1.0767 -0.1125 0.0655 0.0339 307 GLU b OE2 ? ? 1 +31473 C C . GLU V 306 0.4193 0.9006 1.0198 -0.1369 0.0665 0.0202 307 GLU b C ? ? 1 +31474 O O . GLU V 306 0.4239 0.9054 1.0226 -0.1319 0.0608 0.0208 307 GLU b O ? ? 1 +31475 N N . LYS V 307 0.3918 0.8860 1.0065 -0.1424 0.0682 0.0171 308 LYS b N ? ? 1 +31476 C CA . LYS V 307 0.3603 0.8699 0.9891 -0.1425 0.0629 0.0142 308 LYS b CA ? ? 1 +31477 C CB . LYS V 307 0.3543 0.8783 0.9981 -0.1477 0.0655 0.0112 308 LYS b CB ? ? 1 +31478 C CG . LYS V 307 0.3377 0.8792 0.9963 -0.1462 0.0595 0.0087 308 LYS b CG ? ? 1 +31479 C CD . LYS V 307 0.3301 0.8852 1.0032 -0.1512 0.0621 0.0056 308 LYS b CD ? ? 1 +31480 C CE . LYS V 307 0.3143 0.8865 1.0011 -0.1487 0.0560 0.0035 308 LYS b CE ? ? 1 +31481 N NZ . LYS V 307 0.3100 0.8957 1.0111 -0.1530 0.0585 0.0005 308 LYS b NZ ? ? 1 +31482 C C . LYS V 307 0.3528 0.8567 0.9793 -0.1453 0.0611 0.0124 308 LYS b C ? ? 1 +31483 O O . LYS V 307 0.3448 0.8540 0.9745 -0.1420 0.0552 0.0117 308 LYS b O ? ? 1 +31484 N N . LEU V 308 0.3584 0.8506 0.9786 -0.1515 0.0666 0.0116 309 LEU b N ? ? 1 +31485 C CA . LEU V 308 0.3575 0.8427 0.9746 -0.1548 0.0657 0.0098 309 LEU b CA ? ? 1 +31486 C CB . LEU V 308 0.3711 0.8455 0.9837 -0.1631 0.0731 0.0085 309 LEU b CB ? ? 1 +31487 C CG . LEU V 308 0.3815 0.8470 0.9901 -0.1676 0.0730 0.0064 309 LEU b CG ? ? 1 +31488 C CD1 . LEU V 308 0.3714 0.8520 0.9951 -0.1704 0.0685 0.0021 309 LEU b CD1 ? ? 1 +31489 C CD2 . LEU V 308 0.3999 0.8532 1.0027 -0.1754 0.0808 0.0057 309 LEU b CD2 ? ? 1 +31490 C C . LEU V 308 0.3513 0.8243 0.9548 -0.1483 0.0620 0.0125 309 LEU b C ? ? 1 +31491 O O . LEU V 308 0.3452 0.8188 0.9494 -0.1474 0.0576 0.0111 309 LEU b O ? ? 1 +31492 N N . ALA V 309 0.3495 0.8115 0.9406 -0.1439 0.0639 0.0162 310 ALA b N ? ? 1 +31493 C CA . ALA V 309 0.3505 0.8011 0.9287 -0.1372 0.0606 0.0189 310 ALA b CA ? ? 1 +31494 C CB . ALA V 309 0.3592 0.7977 0.9241 -0.1332 0.0636 0.0227 310 ALA b CB ? ? 1 +31495 C C . ALA V 309 0.3289 0.7914 0.9138 -0.1306 0.0532 0.0190 310 ALA b C ? ? 1 +31496 O O . ALA V 309 0.3288 0.7866 0.9086 -0.1272 0.0495 0.0192 310 ALA b O ? ? 1 +31497 N N . PHE V 310 0.3097 0.7876 0.9061 -0.1292 0.0515 0.0187 311 PHE b N ? ? 1 +31498 C CA . PHE V 310 0.2917 0.7812 0.8947 -0.1231 0.0451 0.0189 311 PHE b CA ? ? 1 +31499 C CB . PHE V 310 0.2794 0.7826 0.8926 -0.1220 0.0448 0.0191 311 PHE b CB ? ? 1 +31500 C CG . PHE V 310 0.2650 0.7776 0.8821 -0.1149 0.0389 0.0203 311 PHE b CG ? ? 1 +31501 C CD1 . PHE V 310 0.2679 0.7729 0.8751 -0.1084 0.0361 0.0230 311 PHE b CD1 ? ? 1 +31502 C CD2 . PHE V 310 0.2499 0.7787 0.8806 -0.1147 0.0362 0.0188 311 PHE b CD2 ? ? 1 +31503 C CE1 . PHE V 310 0.2559 0.7695 0.8671 -0.1023 0.0311 0.0240 311 PHE b CE1 ? ? 1 +31504 C CE2 . PHE V 310 0.2394 0.7759 0.8731 -0.1086 0.0312 0.0200 311 PHE b CE2 ? ? 1 +31505 C CZ . PHE V 310 0.2427 0.7718 0.8670 -0.1026 0.0288 0.0226 311 PHE b CZ ? ? 1 +31506 C C . PHE V 310 0.2828 0.7798 0.8936 -0.1245 0.0408 0.0160 311 PHE b C ? ? 1 +31507 O O . PHE V 310 0.2752 0.7755 0.8860 -0.1190 0.0356 0.0167 311 PHE b O ? ? 1 +31508 N N . TYR V 311 0.2810 0.7812 0.8988 -0.1318 0.0431 0.0128 312 TYR b N ? ? 1 +31509 C CA . TYR V 311 0.2752 0.7804 0.8989 -0.1339 0.0394 0.0097 312 TYR b CA ? ? 1 +31510 C CB . TYR V 311 0.2778 0.7884 0.9111 -0.1426 0.0425 0.0058 312 TYR b CB ? ? 1 +31511 C CG . TYR V 311 0.2660 0.7934 0.9140 -0.1444 0.0425 0.0041 312 TYR b CG ? ? 1 +31512 C CD1 . TYR V 311 0.2514 0.7926 0.9082 -0.1395 0.0370 0.0040 312 TYR b CD1 ? ? 1 +31513 C CD2 . TYR V 311 0.2708 0.8004 0.9244 -0.1511 0.0481 0.0024 312 TYR b CD2 ? ? 1 +31514 C CE1 . TYR V 311 0.2417 0.7979 0.9117 -0.1408 0.0369 0.0025 312 TYR b CE1 ? ? 1 +31515 C CE2 . TYR V 311 0.2604 0.8058 0.9280 -0.1525 0.0481 0.0007 312 TYR b CE2 ? ? 1 +31516 C CZ . TYR V 311 0.2459 0.8044 0.9216 -0.1472 0.0424 0.0007 312 TYR b CZ ? ? 1 +31517 O OH . TYR V 311 0.2359 0.8094 0.9248 -0.1482 0.0423 -0.0010 312 TYR b OH ? ? 1 +31518 C C . TYR V 311 0.2826 0.7738 0.8944 -0.1325 0.0383 0.0102 312 TYR b C ? ? 1 +31519 O O . TYR V 311 0.2776 0.7722 0.8919 -0.1314 0.0339 0.0085 312 TYR b O ? ? 1 +31520 N N . ASP V 312 0.2944 0.7695 0.8930 -0.1328 0.0424 0.0123 313 ASP b N ? ? 1 +31521 C CA . ASP V 312 0.3051 0.7656 0.8914 -0.1312 0.0418 0.0128 313 ASP b CA ? ? 1 +31522 C CB . ASP V 312 0.3221 0.7660 0.8973 -0.1358 0.0482 0.0136 313 ASP b CB ? ? 1 +31523 C CG . ASP V 312 0.3359 0.7647 0.9000 -0.1368 0.0484 0.0130 313 ASP b CG ? ? 1 +31524 O OD1 . ASP V 312 0.3328 0.7658 0.9015 -0.1377 0.0448 0.0104 313 ASP b OD1 ? ? 1 +31525 O OD2 . ASP V 312 0.3510 0.7632 0.9017 -0.1371 0.0525 0.0150 313 ASP b OD2 ? ? 1 +31526 C C . ASP V 312 0.3023 0.7596 0.8811 -0.1221 0.0378 0.0159 313 ASP b C ? ? 1 +31527 O O . ASP V 312 0.3134 0.7562 0.8788 -0.1190 0.0391 0.0182 313 ASP b O ? ? 1 +31528 N N . TYR V 313 0.2869 0.7581 0.8745 -0.1176 0.0328 0.0159 314 TYR b N ? ? 1 +31529 C CA . TYR V 313 0.2822 0.7528 0.8648 -0.1093 0.0292 0.0187 314 TYR b CA ? ? 1 +31530 C CB . TYR V 313 0.2777 0.7518 0.8609 -0.1063 0.0305 0.0213 314 TYR b CB ? ? 1 +31531 C CG . TYR V 313 0.2684 0.7481 0.8519 -0.0984 0.0260 0.0234 314 TYR b CG ? ? 1 +31532 C CD1 . TYR V 313 0.2740 0.7444 0.8472 -0.0926 0.0240 0.0253 314 TYR b CD1 ? ? 1 +31533 C CD2 . TYR V 313 0.2541 0.7485 0.8484 -0.0968 0.0238 0.0234 314 TYR b CD2 ? ? 1 +31534 C CE1 . TYR V 313 0.2647 0.7410 0.8390 -0.0856 0.0200 0.0270 314 TYR b CE1 ? ? 1 +31535 C CE2 . TYR V 313 0.2459 0.7453 0.8406 -0.0900 0.0199 0.0252 314 TYR b CE2 ? ? 1 +31536 C CZ . TYR V 313 0.2512 0.7419 0.8362 -0.0845 0.0180 0.0269 314 TYR b CZ ? ? 1 +31537 O OH . TYR V 313 0.2417 0.7381 0.8281 -0.0780 0.0142 0.0285 314 TYR b OH ? ? 1 +31538 C C . TYR V 313 0.2700 0.7523 0.8608 -0.1063 0.0236 0.0173 314 TYR b C ? ? 1 +31539 O O . TYR V 313 0.2583 0.7545 0.8612 -0.1081 0.0219 0.0156 314 TYR b O ? ? 1 +31540 N N . ILE V 314 0.2730 0.7494 0.8568 -0.1014 0.0207 0.0181 315 ILE b N ? ? 1 +31541 C CA . ILE V 314 0.2639 0.7486 0.8534 -0.0992 0.0159 0.0165 315 ILE b CA ? ? 1 +31542 C CB . ILE V 314 0.2723 0.7465 0.8513 -0.0946 0.0141 0.0173 315 ILE b CB ? ? 1 +31543 C CG1 . ILE V 314 0.2697 0.7482 0.8526 -0.0954 0.0107 0.0146 315 ILE b CG1 ? ? 1 +31544 C CG2 . ILE V 314 0.2683 0.7426 0.8433 -0.0865 0.0120 0.0204 315 ILE b CG2 ? ? 1 +31545 C CD1 . ILE V 314 0.2781 0.7457 0.8503 -0.0909 0.0093 0.0151 315 ILE b CD1 ? ? 1 +31546 C C . ILE V 314 0.2475 0.7467 0.8462 -0.0950 0.0125 0.0175 315 ILE b C ? ? 1 +31547 O O . ILE V 314 0.2389 0.7476 0.8447 -0.0943 0.0089 0.0159 315 ILE b O ? ? 1 +31548 N N . GLY V 315 0.2444 0.7448 0.8424 -0.0923 0.0137 0.0199 316 GLY b N ? ? 1 +31549 C CA . GLY V 315 0.2315 0.7451 0.8381 -0.0888 0.0109 0.0208 316 GLY b CA ? ? 1 +31550 C C . GLY V 315 0.2234 0.7501 0.8427 -0.0931 0.0107 0.0186 316 GLY b C ? ? 1 +31551 O O . GLY V 315 0.2132 0.7512 0.8401 -0.0904 0.0079 0.0189 316 GLY b O ? ? 1 +31552 N N . ASN V 316 0.2296 0.7548 0.8512 -0.0998 0.0137 0.0164 317 ASN b N ? ? 1 +31553 C CA . ASN V 316 0.2219 0.7595 0.8560 -0.1041 0.0132 0.0138 317 ASN b CA ? ? 1 +31554 C CB . ASN V 316 0.2282 0.7644 0.8641 -0.1098 0.0183 0.0131 317 ASN b CB ? ? 1 +31555 C CG . ASN V 316 0.2286 0.7626 0.8610 -0.1071 0.0207 0.0160 317 ASN b CG ? ? 1 +31556 O OD1 . ASN V 316 0.2398 0.7650 0.8663 -0.1100 0.0255 0.0168 317 ASN b OD1 ? ? 1 +31557 N ND2 . ASN V 316 0.2186 0.7604 0.8544 -0.1019 0.0178 0.0176 317 ASN b ND2 ? ? 1 +31558 C C . ASN V 316 0.2215 0.7617 0.8594 -0.1072 0.0108 0.0106 317 ASN b C ? ? 1 +31559 O O . ASN V 316 0.2174 0.7672 0.8653 -0.1113 0.0103 0.0079 317 ASN b O ? ? 1 +31560 N N . ASN V 317 0.2255 0.7567 0.8549 -0.1050 0.0093 0.0108 318 ASN b N ? ? 1 +31561 C CA . ASN V 317 0.2252 0.7575 0.8564 -0.1071 0.0066 0.0079 318 ASN b CA ? ? 1 +31562 C CB . ASN V 317 0.2380 0.7553 0.8569 -0.1064 0.0074 0.0081 318 ASN b CB ? ? 1 +31563 C CG . ASN V 317 0.2421 0.7590 0.8611 -0.1080 0.0045 0.0052 318 ASN b CG ? ? 1 +31564 O OD1 . ASN V 317 0.2350 0.7630 0.8625 -0.1082 0.0009 0.0032 318 ASN b OD1 ? ? 1 +31565 N ND2 . ASN V 317 0.2557 0.7592 0.8645 -0.1087 0.0057 0.0049 318 ASN b ND2 ? ? 1 +31566 C C . ASN V 317 0.2117 0.7552 0.8491 -0.1026 0.0016 0.0078 318 ASN b C ? ? 1 +31567 O O . ASN V 317 0.2093 0.7518 0.8426 -0.0965 -0.0001 0.0103 318 ASN b O ? ? 1 +31568 N N . PRO V 318 0.2019 0.7565 0.8493 -0.1053 -0.0009 0.0050 319 PRO b N ? ? 1 +31569 C CA . PRO V 318 0.1893 0.7546 0.8426 -0.1011 -0.0055 0.0050 319 PRO b CA ? ? 1 +31570 C CB . PRO V 318 0.1854 0.7614 0.8497 -0.1058 -0.0069 0.0015 319 PRO b CB ? ? 1 +31571 C CG . PRO V 318 0.1967 0.7652 0.8584 -0.1118 -0.0045 -0.0009 319 PRO b CG ? ? 1 +31572 C CD . PRO V 318 0.2052 0.7623 0.8586 -0.1124 0.0004 0.0015 319 PRO b CD ? ? 1 +31573 C C . PRO V 318 0.1888 0.7503 0.8362 -0.0971 -0.0088 0.0051 319 PRO b C ? ? 1 +31574 O O . PRO V 318 0.1807 0.7500 0.8319 -0.0936 -0.0124 0.0052 319 PRO b O ? ? 1 +31575 N N . ALA V 319 0.1982 0.7473 0.8361 -0.0979 -0.0074 0.0048 320 ALA b N ? ? 1 +31576 C CA . ALA V 319 0.2014 0.7457 0.8329 -0.0945 -0.0101 0.0046 320 ALA b CA ? ? 1 +31577 C CB . ALA V 319 0.2125 0.7481 0.8393 -0.0991 -0.0094 0.0018 320 ALA b CB ? ? 1 +31578 C C . ALA V 319 0.2036 0.7406 0.8264 -0.0885 -0.0094 0.0079 320 ALA b C ? ? 1 +31579 O O . ALA V 319 0.2091 0.7384 0.8243 -0.0860 -0.0102 0.0079 320 ALA b O ? ? 1 +31580 N N . LYS V 320 0.1990 0.7385 0.8232 -0.0861 -0.0079 0.0106 321 LYS b N ? ? 1 +31581 C CA . LYS V 320 0.2013 0.7342 0.8179 -0.0807 -0.0071 0.0137 321 LYS b CA ? ? 1 +31582 C CB . LYS V 320 0.2079 0.7334 0.8202 -0.0824 -0.0031 0.0151 321 LYS b CB ? ? 1 +31583 C CG . LYS V 320 0.2225 0.7343 0.8259 -0.0858 -0.0004 0.0142 321 LYS b CG ? ? 1 +31584 C CD . LYS V 320 0.2303 0.7322 0.8237 -0.0814 -0.0014 0.0148 321 LYS b CD ? ? 1 +31585 C CE . LYS V 320 0.2277 0.7285 0.8170 -0.0745 -0.0021 0.0179 321 LYS b CE ? ? 1 +31586 N NZ . LYS V 320 0.2358 0.7277 0.8162 -0.0703 -0.0030 0.0181 321 LYS b NZ ? ? 1 +31587 C C . LYS V 320 0.1899 0.7322 0.8112 -0.0754 -0.0094 0.0157 321 LYS b C ? ? 1 +31588 O O . LYS V 320 0.1902 0.7294 0.8071 -0.0710 -0.0089 0.0182 321 LYS b O ? ? 1 +31589 N N . GLY V 321 0.1810 0.7346 0.8110 -0.0759 -0.0119 0.0146 322 GLY b N ? ? 1 +31590 C CA . GLY V 321 0.1698 0.7325 0.8048 -0.0717 -0.0137 0.0163 322 GLY b CA ? ? 1 +31591 C C . GLY V 321 0.1672 0.7313 0.8003 -0.0673 -0.0165 0.0166 322 GLY b C ? ? 1 +31592 O O . GLY V 321 0.1745 0.7312 0.8010 -0.0667 -0.0168 0.0158 322 GLY b O ? ? 1 +31593 N N . GLY V 322 0.1579 0.7310 0.7964 -0.0643 -0.0184 0.0177 323 GLY b N ? ? 1 +31594 C CA . GLY V 322 0.1554 0.7311 0.7932 -0.0607 -0.0209 0.0178 323 GLY b CA ? ? 1 +31595 C C . GLY V 322 0.1469 0.7337 0.7927 -0.0600 -0.0231 0.0178 323 GLY b C ? ? 1 +31596 O O . GLY V 322 0.1421 0.7345 0.7935 -0.0609 -0.0225 0.0186 323 GLY b O ? ? 1 +31597 N N . LEU V 323 0.1472 0.7366 0.7929 -0.0583 -0.0254 0.0171 324 LEU b N ? ? 1 +31598 C CA . LEU V 323 0.1408 0.7396 0.7930 -0.0577 -0.0278 0.0169 324 LEU b CA ? ? 1 +31599 C CB . LEU V 323 0.1427 0.7409 0.7914 -0.0553 -0.0299 0.0162 324 LEU b CB ? ? 1 +31600 C CG . LEU V 323 0.1374 0.7436 0.7909 -0.0546 -0.0326 0.0158 324 LEU b CG ? ? 1 +31601 C CD1 . LEU V 323 0.1379 0.7488 0.7973 -0.0588 -0.0341 0.0133 324 LEU b CD1 ? ? 1 +31602 C CD2 . LEU V 323 0.1407 0.7446 0.7892 -0.0521 -0.0342 0.0153 324 LEU b CD2 ? ? 1 +31603 C C . LEU V 323 0.1338 0.7386 0.7902 -0.0550 -0.0275 0.0193 324 LEU b C ? ? 1 +31604 O O . LEU V 323 0.1297 0.7420 0.7927 -0.0561 -0.0285 0.0191 324 LEU b O ? ? 1 +31605 N N . PHE V 324 0.1338 0.7356 0.7867 -0.0516 -0.0262 0.0214 325 PHE b N ? ? 1 +31606 C CA . PHE V 324 0.1260 0.7333 0.7827 -0.0490 -0.0261 0.0235 325 PHE b CA ? ? 1 +31607 C CB . PHE V 324 0.1253 0.7324 0.7792 -0.0447 -0.0266 0.0248 325 PHE b CB ? ? 1 +31608 C CG . PHE V 324 0.1243 0.7346 0.7788 -0.0442 -0.0286 0.0239 325 PHE b CG ? ? 1 +31609 C CD1 . PHE V 324 0.1187 0.7362 0.7787 -0.0442 -0.0301 0.0241 325 PHE b CD1 ? ? 1 +31610 C CD2 . PHE V 324 0.1306 0.7360 0.7796 -0.0434 -0.0291 0.0228 325 PHE b CD2 ? ? 1 +31611 C CE1 . PHE V 324 0.1188 0.7386 0.7784 -0.0434 -0.0320 0.0234 325 PHE b CE1 ? ? 1 +31612 C CE2 . PHE V 324 0.1308 0.7386 0.7796 -0.0428 -0.0310 0.0219 325 PHE b CE2 ? ? 1 +31613 C CZ . PHE V 324 0.1248 0.7397 0.7787 -0.0428 -0.0325 0.0223 325 PHE b CZ ? ? 1 +31614 C C . PHE V 324 0.1265 0.7315 0.7830 -0.0492 -0.0240 0.0249 325 PHE b C ? ? 1 +31615 O O . PHE V 324 0.1212 0.7294 0.7797 -0.0468 -0.0238 0.0266 325 PHE b O ? ? 1 +31616 N N . ARG V 325 0.1330 0.7323 0.7867 -0.0521 -0.0224 0.0240 326 ARG b N ? ? 1 +31617 C CA . ARG V 325 0.1350 0.7320 0.7882 -0.0528 -0.0203 0.0251 326 ARG b CA ? ? 1 +31618 C CB . ARG V 325 0.1424 0.7295 0.7888 -0.0545 -0.0183 0.0246 326 ARG b CB ? ? 1 +31619 C CG . ARG V 325 0.1473 0.7272 0.7864 -0.0518 -0.0185 0.0248 326 ARG b CG ? ? 1 +31620 C CD . ARG V 325 0.1564 0.7260 0.7886 -0.0535 -0.0163 0.0245 326 ARG b CD ? ? 1 +31621 N NE . ARG V 325 0.1630 0.7246 0.7875 -0.0507 -0.0164 0.0245 326 ARG b NE ? ? 1 +31622 C CZ . ARG V 325 0.1728 0.7242 0.7901 -0.0522 -0.0147 0.0239 326 ARG b CZ ? ? 1 +31623 N NH1 . ARG V 325 0.1779 0.7261 0.7952 -0.0571 -0.0130 0.0228 326 ARG b NH1 ? ? 1 +31624 N NH2 . ARG V 325 0.1788 0.7229 0.7889 -0.0488 -0.0148 0.0242 326 ARG b NH2 ? ? 1 +31625 C C . ARG V 325 0.1349 0.7386 0.7953 -0.0560 -0.0202 0.0244 326 ARG b C ? ? 1 +31626 O O . ARG V 325 0.1406 0.7439 0.8025 -0.0599 -0.0197 0.0225 326 ARG b O ? ? 1 +31627 N N . THR V 326 0.1322 0.7422 0.7972 -0.0543 -0.0206 0.0257 327 THR b N ? ? 1 +31628 C CA . THR V 326 0.1303 0.7477 0.8026 -0.0565 -0.0210 0.0250 327 THR b CA ? ? 1 +31629 C CB . THR V 326 0.1243 0.7487 0.8008 -0.0536 -0.0229 0.0260 327 THR b CB ? ? 1 +31630 O OG1 . THR V 326 0.1248 0.7481 0.7996 -0.0509 -0.0221 0.0280 327 THR b OG1 ? ? 1 +31631 C CG2 . THR V 326 0.1240 0.7493 0.7993 -0.0517 -0.0251 0.0256 327 THR b CG2 ? ? 1 +31632 C C . THR V 326 0.1332 0.7501 0.8069 -0.0586 -0.0186 0.0253 327 THR b C ? ? 1 +31633 O O . THR V 326 0.1337 0.7445 0.8024 -0.0579 -0.0167 0.0265 327 THR b O ? ? 1 +31634 N N . GLY V 327 0.1345 0.7578 0.8149 -0.0610 -0.0186 0.0241 328 GLY b N ? ? 1 +31635 C CA . GLY V 327 0.1372 0.7615 0.8201 -0.0629 -0.0163 0.0243 328 GLY b CA ? ? 1 +31636 C C . GLY V 327 0.1471 0.7658 0.8276 -0.0671 -0.0134 0.0230 328 GLY b C ? ? 1 +31637 O O . GLY V 327 0.1519 0.7667 0.8298 -0.0690 -0.0135 0.0217 328 GLY b O ? ? 1 +31638 N N . PRO V 328 0.1531 0.7707 0.8339 -0.0687 -0.0106 0.0235 329 PRO b N ? ? 1 +31639 C CA . PRO V 328 0.1621 0.7749 0.8413 -0.0731 -0.0073 0.0223 329 PRO b CA ? ? 1 +31640 C CB . PRO V 328 0.1595 0.7746 0.8412 -0.0738 -0.0048 0.0230 329 PRO b CB ? ? 1 +31641 C CG . PRO V 328 0.1563 0.7719 0.8358 -0.0689 -0.0064 0.0254 329 PRO b CG ? ? 1 +31642 C CD . PRO V 328 0.1501 0.7705 0.8321 -0.0662 -0.0102 0.0253 329 PRO b CD ? ? 1 +31643 C C . PRO V 328 0.1759 0.7772 0.8452 -0.0728 -0.0058 0.0233 329 PRO b C ? ? 1 +31644 O O . PRO V 328 0.1766 0.7741 0.8406 -0.0688 -0.0071 0.0250 329 PRO b O ? ? 1 +31645 N N . MET V 329 0.1864 0.7820 0.8533 -0.0772 -0.0029 0.0221 330 MET b N ? ? 1 +31646 C CA . MET V 329 0.1991 0.7827 0.8561 -0.0773 -0.0012 0.0227 330 MET b CA ? ? 1 +31647 C CB . MET V 329 0.2083 0.7876 0.8649 -0.0832 0.0019 0.0207 330 MET b CB ? ? 1 +31648 C CG . MET V 329 0.2102 0.7933 0.8712 -0.0858 -0.0002 0.0180 330 MET b CG ? ? 1 +31649 S SD . MET V 329 0.2237 0.8053 0.8878 -0.0936 0.0032 0.0150 330 MET b SD ? ? 1 +31650 C CE . MET V 329 0.2317 0.8003 0.8856 -0.0946 0.0036 0.0146 330 MET b CE ? ? 1 +31651 C C . MET V 329 0.2028 0.7800 0.8529 -0.0743 0.0004 0.0253 330 MET b C ? ? 1 +31652 O O . MET V 329 0.2080 0.7765 0.8496 -0.0717 0.0003 0.0266 330 MET b O ? ? 1 +31653 N N . ASN V 330 0.1988 0.7806 0.8526 -0.0745 0.0018 0.0259 331 ASN b N ? ? 1 +31654 C CA . ASN V 330 0.2016 0.7785 0.8497 -0.0719 0.0032 0.0282 331 ASN b CA ? ? 1 +31655 C CB . ASN V 330 0.1952 0.7786 0.8492 -0.0732 0.0049 0.0281 331 ASN b CB ? ? 1 +31656 C CG . ASN V 330 0.2005 0.7823 0.8560 -0.0788 0.0091 0.0266 331 ASN b CG ? ? 1 +31657 O OD1 . ASN V 330 0.2122 0.7863 0.8628 -0.0818 0.0115 0.0260 331 ASN b OD1 ? ? 1 +31658 N ND2 . ASN V 330 0.1952 0.7843 0.8575 -0.0802 0.0105 0.0260 331 ASN b ND2 ? ? 1 +31659 C C . ASN V 330 0.2029 0.7799 0.8482 -0.0660 0.0000 0.0299 331 ASN b C ? ? 1 +31660 O O . ASN V 330 0.2033 0.7740 0.8415 -0.0631 0.0004 0.0317 331 ASN b O ? ? 1 +31661 N N . LYS V 331 0.1992 0.7837 0.8501 -0.0644 -0.0033 0.0294 332 LYS b N ? ? 1 +31662 C CA . LYS V 331 0.1978 0.7833 0.8470 -0.0593 -0.0062 0.0308 332 LYS b CA ? ? 1 +31663 C CB . LYS V 331 0.1964 0.7921 0.8537 -0.0585 -0.0091 0.0300 332 LYS b CB ? ? 1 +31664 C CG . LYS V 331 0.1991 0.7972 0.8562 -0.0539 -0.0118 0.0312 332 LYS b CG ? ? 1 +31665 C CD . LYS V 331 0.2043 0.8034 0.8609 -0.0511 -0.0120 0.0328 332 LYS b CD ? ? 1 +31666 C CE . LYS V 331 0.2092 0.8104 0.8655 -0.0467 -0.0146 0.0338 332 LYS b CE ? ? 1 +31667 N NZ . LYS V 331 0.2119 0.8136 0.8673 -0.0438 -0.0151 0.0351 332 LYS b NZ ? ? 1 +31668 C C . LYS V 331 0.1989 0.7755 0.8398 -0.0572 -0.0065 0.0313 332 LYS b C ? ? 1 +31669 O O . LYS V 331 0.1992 0.7744 0.8369 -0.0528 -0.0082 0.0326 332 LYS b O ? ? 1 +31670 N N . GLY V 332 0.2002 0.7705 0.8376 -0.0604 -0.0049 0.0301 333 GLY b N ? ? 1 +31671 C CA . GLY V 332 0.2044 0.7651 0.8332 -0.0586 -0.0050 0.0305 333 GLY b CA ? ? 1 +31672 C C . GLY V 332 0.2109 0.7603 0.8301 -0.0581 -0.0024 0.0318 333 GLY b C ? ? 1 +31673 O O . GLY V 332 0.2090 0.7555 0.8237 -0.0537 -0.0033 0.0335 333 GLY b O ? ? 1 +31674 N N . ASP V 333 0.2166 0.7593 0.8326 -0.0627 0.0008 0.0309 334 ASP b N ? ? 1 +31675 C CA . ASP V 333 0.2249 0.7555 0.8307 -0.0626 0.0036 0.0322 334 ASP b CA ? ? 1 +31676 C CB . ASP V 333 0.2335 0.7557 0.8353 -0.0678 0.0068 0.0308 334 ASP b CB ? ? 1 +31677 C CG . ASP V 333 0.2272 0.7564 0.8378 -0.0741 0.0084 0.0285 334 ASP b CG ? ? 1 +31678 O OD1 . ASP V 333 0.2137 0.7545 0.8338 -0.0744 0.0071 0.0280 334 ASP b OD1 ? ? 1 +31679 O OD2 . ASP V 333 0.2322 0.7551 0.8401 -0.0786 0.0109 0.0272 334 ASP b OD2 ? ? 1 +31680 C C . ASP V 333 0.2254 0.7569 0.8312 -0.0625 0.0053 0.0335 334 ASP b C ? ? 1 +31681 O O . ASP V 333 0.2366 0.7582 0.8332 -0.0612 0.0072 0.0349 334 ASP b O ? ? 1 +31682 N N . GLY V 334 0.2176 0.7604 0.8329 -0.0634 0.0046 0.0330 335 GLY b N ? ? 1 +31683 C CA . GLY V 334 0.2187 0.7631 0.8346 -0.0634 0.0062 0.0340 335 GLY b CA ? ? 1 +31684 C C . GLY V 334 0.2229 0.7696 0.8433 -0.0692 0.0099 0.0326 335 GLY b C ? ? 1 +31685 O O . GLY V 334 0.2215 0.7693 0.8454 -0.0735 0.0109 0.0308 335 GLY b O ? ? 1 +31686 N N . ILE V 335 0.2266 0.7742 0.8471 -0.0694 0.0118 0.0334 336 ILE b N ? ? 1 +31687 C CA . ILE V 335 0.2303 0.7795 0.8543 -0.0745 0.0159 0.0323 336 ILE b CA ? ? 1 +31688 C CB . ILE V 335 0.2229 0.7790 0.8514 -0.0732 0.0161 0.0329 336 ILE b CB ? ? 1 +31689 C CG1 . ILE V 335 0.2088 0.7768 0.8464 -0.0704 0.0118 0.0325 336 ILE b CG1 ? ? 1 +31690 C CG2 . ILE V 335 0.2264 0.7849 0.8593 -0.0783 0.0206 0.0316 336 ILE b CG2 ? ? 1 +31691 C CD1 . ILE V 335 0.2040 0.7765 0.8434 -0.0676 0.0112 0.0335 336 ILE b CD1 ? ? 1 +31692 C C . ILE V 335 0.2524 0.7881 0.8659 -0.0769 0.0203 0.0330 336 ILE b C ? ? 1 +31693 O O . ILE V 335 0.2605 0.7883 0.8651 -0.0742 0.0214 0.0349 336 ILE b O ? ? 1 +31694 N N . ALA V 336 0.2674 0.8001 0.8815 -0.0821 0.0230 0.0314 337 ALA b N ? ? 1 +31695 C CA . ALA V 336 0.2903 0.8096 0.8943 -0.0851 0.0276 0.0319 337 ALA b CA ? ? 1 +31696 C CB . ALA V 336 0.2940 0.8124 0.9013 -0.0913 0.0300 0.0296 337 ALA b CB ? ? 1 +31697 C C . ALA V 336 0.3081 0.8251 0.9094 -0.0861 0.0316 0.0329 337 ALA b C ? ? 1 +31698 O O . ALA V 336 0.3097 0.8365 0.9202 -0.0881 0.0326 0.0319 337 ALA b O ? ? 1 +31699 N N . GLN V 337 0.3319 0.8354 0.9201 -0.0843 0.0338 0.0350 338 GLN b N ? ? 1 +31700 C CA . GLN V 337 0.3451 0.8446 0.9285 -0.0845 0.0375 0.0363 338 GLN b CA ? ? 1 +31701 C CB . GLN V 337 0.3578 0.8510 0.9315 -0.0778 0.0349 0.0388 338 GLN b CB ? ? 1 +31702 C CG . GLN V 337 0.3531 0.8574 0.9338 -0.0727 0.0291 0.0389 338 GLN b CG ? ? 1 +31703 C CD . GLN V 337 0.3486 0.8649 0.9395 -0.0736 0.0293 0.0381 338 GLN b CD ? ? 1 +31704 O OE1 . GLN V 337 0.3454 0.8740 0.9480 -0.0744 0.0269 0.0366 338 GLN b OE1 ? ? 1 +31705 N NE2 . GLN V 337 0.3562 0.8686 0.9420 -0.0734 0.0321 0.0391 338 GLN b NE2 ? ? 1 +31706 C C . GLN V 337 0.3615 0.8488 0.9368 -0.0897 0.0438 0.0363 338 GLN b C ? ? 1 +31707 O O . GLN V 337 0.3691 0.8579 0.9468 -0.0935 0.0484 0.0358 338 GLN b O ? ? 1 +31708 N N . ALA V 338 0.3698 0.8451 0.9356 -0.0898 0.0443 0.0368 339 ALA b N ? ? 1 +31709 C CA . ALA V 338 0.3860 0.8474 0.9419 -0.0942 0.0503 0.0372 339 ALA b CA ? ? 1 +31710 C CB . ALA V 338 0.3968 0.8468 0.9394 -0.0905 0.0521 0.0400 339 ALA b CB ? ? 1 +31711 C C . ALA V 338 0.3979 0.8494 0.9475 -0.0954 0.0501 0.0369 339 ALA b C ? ? 1 +31712 O O . ALA V 338 0.3978 0.8486 0.9452 -0.0905 0.0453 0.0374 339 ALA b O ? ? 1 +31713 N N . TRP V 339 0.4103 0.8544 0.9573 -0.1020 0.0555 0.0358 340 TRP b N ? ? 1 +31714 C CA . TRP V 339 0.4227 0.8538 0.9606 -0.1034 0.0564 0.0358 340 TRP b CA ? ? 1 +31715 C CB . TRP V 339 0.4324 0.8608 0.9732 -0.1124 0.0622 0.0336 340 TRP b CB ? ? 1 +31716 C CG . TRP V 339 0.4416 0.8572 0.9743 -0.1149 0.0634 0.0330 340 TRP b CG ? ? 1 +31717 C CD1 . TRP V 339 0.4398 0.8535 0.9703 -0.1114 0.0586 0.0328 340 TRP b CD1 ? ? 1 +31718 N NE1 . TRP V 339 0.4551 0.8553 0.9774 -0.1154 0.0616 0.0321 340 TRP b NE1 ? ? 1 +31719 C CE2 . TRP V 339 0.4653 0.8588 0.9847 -0.1219 0.0685 0.0319 340 TRP b CE2 ? ? 1 +31720 C CZ2 . TRP V 339 0.4844 0.8640 0.9960 -0.1281 0.0738 0.0312 340 TRP b CZ2 ? ? 1 +31721 C CH2 . TRP V 339 0.4935 0.8693 1.0042 -0.1343 0.0808 0.0311 340 TRP b CH2 ? ? 1 +31722 C CZ3 . TRP V 339 0.4852 0.8710 1.0026 -0.1342 0.0825 0.0316 340 TRP b CZ3 ? ? 1 +31723 C CE3 . TRP V 339 0.4682 0.8675 0.9930 -0.1279 0.0770 0.0322 340 TRP b CE3 ? ? 1 +31724 C CD2 . TRP V 339 0.4578 0.8610 0.9837 -0.1217 0.0698 0.0324 340 TRP b CD2 ? ? 1 +31725 C C . TRP V 339 0.4352 0.8492 0.9555 -0.0986 0.0573 0.0389 340 TRP b C ? ? 1 +31726 O O . TRP V 339 0.4434 0.8508 0.9566 -0.0991 0.0613 0.0405 340 TRP b O ? ? 1 +31727 N N . LYS V 340 0.4372 0.8441 0.9500 -0.0937 0.0535 0.0399 341 LYS b N ? ? 1 +31728 C CA . LYS V 340 0.4515 0.8418 0.9472 -0.0887 0.0539 0.0427 341 LYS b CA ? ? 1 +31729 C CB . LYS V 340 0.4552 0.8444 0.9475 -0.0814 0.0478 0.0434 341 LYS b CB ? ? 1 +31730 C CG . LYS V 340 0.4456 0.8480 0.9452 -0.0754 0.0424 0.0440 341 LYS b CG ? ? 1 +31731 C CD . LYS V 340 0.4564 0.8554 0.9502 -0.0676 0.0371 0.0451 341 LYS b CD ? ? 1 +31732 C CE . LYS V 340 0.4546 0.8648 0.9539 -0.0615 0.0322 0.0459 341 LYS b CE ? ? 1 +31733 N NZ . LYS V 340 0.4671 0.8745 0.9615 -0.0607 0.0343 0.0475 341 LYS b NZ ? ? 1 +31734 C C . LYS V 340 0.4640 0.8366 0.9475 -0.0936 0.0600 0.0431 341 LYS b C ? ? 1 +31735 O O . LYS V 340 0.4797 0.8374 0.9483 -0.0910 0.0623 0.0455 341 LYS b O ? ? 1 +31736 N N . GLY V 341 0.4570 0.8310 0.9466 -0.1007 0.0626 0.0406 342 GLY b N ? ? 1 +31737 C CA . GLY V 341 0.4667 0.8243 0.9457 -0.1061 0.0683 0.0406 342 GLY b CA ? ? 1 +31738 C C . GLY V 341 0.4627 0.8151 0.9395 -0.1061 0.0659 0.0393 342 GLY b C ? ? 1 +31739 O O . GLY V 341 0.4534 0.8129 0.9345 -0.1008 0.0598 0.0390 342 GLY b O ? ? 1 +31740 N N . HIS V 342 0.4700 0.8098 0.9404 -0.1123 0.0709 0.0385 343 HIS b N ? ? 1 +31741 C CA . HIS V 342 0.4704 0.8031 0.9373 -0.1131 0.0694 0.0371 343 HIS b CA ? ? 1 +31742 C CB . HIS V 342 0.4756 0.8012 0.9422 -0.1229 0.0754 0.0349 343 HIS b CB ? ? 1 +31743 C CG . HIS V 342 0.4762 0.7953 0.9403 -0.1244 0.0737 0.0331 343 HIS b CG ? ? 1 +31744 N ND1 . HIS V 342 0.4592 0.7927 0.9368 -0.1253 0.0692 0.0301 343 HIS b ND1 ? ? 1 +31745 C CE1 . HIS V 342 0.4694 0.7919 0.9402 -0.1267 0.0691 0.0290 343 HIS b CE1 ? ? 1 +31746 N NE2 . HIS V 342 0.4900 0.7917 0.9437 -0.1267 0.0733 0.0311 343 HIS b NE2 ? ? 1 +31747 C CD2 . HIS V 342 0.4933 0.7927 0.9426 -0.1252 0.0763 0.0337 343 HIS b CD2 ? ? 1 +31748 C C . HIS V 342 0.4842 0.7996 0.9334 -0.1059 0.0678 0.0399 343 HIS b C ? ? 1 +31749 O O . HIS V 342 0.4968 0.7967 0.9319 -0.1054 0.0718 0.0423 343 HIS b O ? ? 1 +31750 N N . ALA V 343 0.4811 0.7994 0.9312 -0.1002 0.0619 0.0396 344 ALA b N ? ? 1 +31751 C CA . ALA V 343 0.4925 0.7963 0.9276 -0.0927 0.0596 0.0418 344 ALA b CA ? ? 1 +31752 C CB . ALA V 343 0.4770 0.7923 0.9187 -0.0853 0.0523 0.0415 344 ALA b CB ? ? 1 +31753 C C . ALA V 343 0.5125 0.7994 0.9371 -0.0965 0.0627 0.0410 344 ALA b C ? ? 1 +31754 O O . ALA V 343 0.5100 0.8017 0.9424 -0.1013 0.0623 0.0381 344 ALA b O ? ? 1 +31755 N N . VAL V 344 0.5366 0.8032 0.9432 -0.0942 0.0657 0.0435 345 VAL b N ? ? 1 +31756 C CA . VAL V 344 0.5607 0.8089 0.9549 -0.0965 0.0683 0.0431 345 VAL b CA ? ? 1 +31757 C CB . VAL V 344 0.5796 0.8122 0.9638 -0.1039 0.0763 0.0438 345 VAL b CB ? ? 1 +31758 C CG1 . VAL V 344 0.6024 0.8129 0.9707 -0.1049 0.0789 0.0440 345 VAL b CG1 ? ? 1 +31759 C CG2 . VAL V 344 0.5708 0.8158 0.9700 -0.1142 0.0802 0.0409 345 VAL b CG2 ? ? 1 +31760 C C . VAL V 344 0.5765 0.8131 0.9569 -0.0863 0.0643 0.0455 345 VAL b C ? ? 1 +31761 O O . VAL V 344 0.5861 0.8168 0.9573 -0.0803 0.0638 0.0484 345 VAL b O ? ? 1 +31762 N N . PHE V 345 0.5821 0.8159 0.9615 -0.0844 0.0613 0.0440 346 PHE b N ? ? 1 +31763 C CA . PHE V 345 0.5895 0.8136 0.9573 -0.0747 0.0573 0.0458 346 PHE b CA ? ? 1 +31764 C CB . PHE V 345 0.5720 0.8092 0.9503 -0.0708 0.0513 0.0437 346 PHE b CB ? ? 1 +31765 C CG . PHE V 345 0.5456 0.8057 0.9404 -0.0686 0.0471 0.0433 346 PHE b CG ? ? 1 +31766 C CD1 . PHE V 345 0.5386 0.8037 0.9325 -0.0596 0.0427 0.0453 346 PHE b CD1 ? ? 1 +31767 C CD2 . PHE V 345 0.5300 0.8064 0.9411 -0.0756 0.0475 0.0407 346 PHE b CD2 ? ? 1 +31768 C CE1 . PHE V 345 0.5166 0.8022 0.9255 -0.0578 0.0390 0.0448 346 PHE b CE1 ? ? 1 +31769 C CE2 . PHE V 345 0.5096 0.8062 0.9353 -0.0735 0.0438 0.0404 346 PHE b CE2 ? ? 1 +31770 C CZ . PHE V 345 0.5031 0.8039 0.9274 -0.0647 0.0396 0.0425 346 PHE b CZ ? ? 1 +31771 C C . PHE V 345 0.6168 0.8164 0.9665 -0.0761 0.0613 0.0465 346 PHE b C ? ? 1 +31772 O O . PHE V 345 0.6261 0.8209 0.9768 -0.0840 0.0648 0.0443 346 PHE b O ? ? 1 +31773 N N A ARG V 346 0.6317 0.8159 0.9649 -0.0684 0.0607 0.0494 347 ARG b N ? ? 1 +31774 N N B ARG V 346 0.6333 0.8175 0.9666 -0.0684 0.0607 0.0494 347 ARG b N ? ? 1 +31775 C CA A ARG V 346 0.6559 0.8155 0.9701 -0.0679 0.0639 0.0505 347 ARG b CA ? ? 1 +31776 C CA B ARG V 346 0.6584 0.8181 0.9727 -0.0679 0.0638 0.0504 347 ARG b CA ? ? 1 +31777 C C A ARG V 346 0.6659 0.8192 0.9706 -0.0563 0.0584 0.0520 347 ARG b C ? ? 1 +31778 C C B ARG V 346 0.6675 0.8207 0.9721 -0.0562 0.0584 0.0520 347 ARG b C ? ? 1 +31779 O O A ARG V 346 0.6521 0.8168 0.9617 -0.0488 0.0535 0.0531 347 ARG b O ? ? 1 +31780 O O B ARG V 346 0.6540 0.8183 0.9632 -0.0487 0.0536 0.0532 347 ARG b O ? ? 1 +31781 C CB A ARG V 346 0.6700 0.8135 0.9704 -0.0708 0.0700 0.0531 347 ARG b CB ? ? 1 +31782 C CB B ARG V 346 0.6751 0.8180 0.9756 -0.0714 0.0702 0.0529 347 ARG b CB ? ? 1 +31783 C CG A ARG V 346 0.6622 0.8127 0.9723 -0.0819 0.0757 0.0518 347 ARG b CG ? ? 1 +31784 C CG B ARG V 346 0.6702 0.8192 0.9801 -0.0832 0.0762 0.0512 347 ARG b CG ? ? 1 +31785 C CD A ARG V 346 0.6755 0.8111 0.9721 -0.0839 0.0817 0.0545 347 ARG b CD ? ? 1 +31786 C CD B ARG V 346 0.6905 0.8188 0.9848 -0.0881 0.0837 0.0531 347 ARG b CD ? ? 1 +31787 N NE A ARG V 346 0.6706 0.8119 0.9761 -0.0950 0.0878 0.0530 347 ARG b NE ? ? 1 +31788 N NE B ARG V 346 0.6856 0.8223 0.9907 -0.0989 0.0893 0.0515 347 ARG b NE ? ? 1 +31789 C CZ A ARG V 346 0.6591 0.8111 0.9719 -0.0969 0.0895 0.0536 347 ARG b CZ ? ? 1 +31790 C CZ B ARG V 346 0.6913 0.8237 0.9990 -0.1090 0.0943 0.0490 347 ARG b CZ ? ? 1 +31791 N NH1 A ARG V 346 0.6516 0.8097 0.9637 -0.0888 0.0855 0.0558 347 ARG b NH1 ? ? 1 +31792 N NH1 B ARG V 346 0.7026 0.8221 1.0028 -0.1102 0.0945 0.0478 347 ARG b NH1 ? ? 1 +31793 N NH2 A ARG V 346 0.6567 0.8136 0.9779 -0.1073 0.0954 0.0519 347 ARG b NH2 ? ? 1 +31794 N NH2 B ARG V 346 0.6849 0.8264 1.0033 -0.1181 0.0992 0.0476 347 ARG b NH2 ? ? 1 +31795 N N . ASN V 347 0.6895 0.8248 0.9811 -0.0549 0.0594 0.0518 348 ASN b N ? ? 1 +31796 C CA . ASN V 347 0.7026 0.8287 0.9829 -0.0439 0.0550 0.0533 348 ASN b CA ? ? 1 +31797 C CB . ASN V 347 0.7013 0.8219 0.9801 -0.0440 0.0539 0.0510 348 ASN b CB ? ? 1 +31798 C CG . ASN V 347 0.7183 0.8184 0.9849 -0.0513 0.0599 0.0504 348 ASN b CG ? ? 1 +31799 O OD1 . ASN V 347 0.7354 0.8221 0.9918 -0.0555 0.0651 0.0522 348 ASN b OD1 ? ? 1 +31800 N ND2 . ASN V 347 0.7199 0.8164 0.9868 -0.0532 0.0594 0.0479 348 ASN b ND2 ? ? 1 +31801 C C . ASN V 347 0.7442 0.8474 1.0032 -0.0402 0.0579 0.0567 348 ASN b C ? ? 1 +31802 O O . ASN V 347 0.7555 0.8511 1.0094 -0.0464 0.0634 0.0578 348 ASN b O ? ? 1 +31803 N N . LYS V 348 0.7753 0.8671 1.0215 -0.0298 0.0544 0.0582 349 LYS b N ? ? 1 +31804 C CA . LYS V 348 0.8109 0.8812 1.0362 -0.0247 0.0562 0.0615 349 LYS b CA ? ? 1 +31805 C CB . LYS V 348 0.8266 0.8913 1.0427 -0.0115 0.0503 0.0628 349 LYS b CB ? ? 1 +31806 C CG . LYS V 348 0.8496 0.9062 1.0614 -0.0090 0.0489 0.0611 349 LYS b CG ? ? 1 +31807 C CD . LYS V 348 0.8678 0.9242 1.0746 0.0045 0.0424 0.0620 349 LYS b CD ? ? 1 +31808 C CE . LYS V 348 0.8948 0.9403 1.0946 0.0078 0.0414 0.0606 349 LYS b CE ? ? 1 +31809 N NZ . LYS V 348 0.8908 0.9492 1.1059 0.0005 0.0419 0.0571 349 LYS b NZ ? ? 1 +31810 C C . LYS V 348 0.8362 0.8822 1.0456 -0.0317 0.0634 0.0621 349 LYS b C ? ? 1 +31811 O O . LYS V 348 0.8592 0.8889 1.0534 -0.0314 0.0670 0.0648 349 LYS b O ? ? 1 +31812 N N . GLU V 349 0.8443 0.8878 1.0570 -0.0382 0.0654 0.0594 350 GLU b N ? ? 1 +31813 C CA . GLU V 349 0.8725 0.8954 1.0731 -0.0468 0.0726 0.0592 350 GLU b CA ? ? 1 +31814 C CB . GLU V 349 0.8960 0.9167 1.0999 -0.0511 0.0728 0.0559 350 GLU b CB ? ? 1 +31815 C CG . GLU V 349 0.9437 0.9436 1.1298 -0.0438 0.0715 0.0567 350 GLU b CG ? ? 1 +31816 C CD . GLU V 349 0.9690 0.9762 1.1560 -0.0307 0.0639 0.0573 350 GLU b CD ? ? 1 +31817 O OE1 . GLU V 349 0.9612 0.9920 1.1651 -0.0277 0.0591 0.0565 350 GLU b OE1 ? ? 1 +31818 O OE2 . GLU V 349 1.0186 1.0073 1.1891 -0.0233 0.0628 0.0584 350 GLU b OE2 ? ? 1 +31819 C C . GLU V 349 0.8548 0.8826 1.0625 -0.0583 0.0788 0.0588 350 GLU b C ? ? 1 +31820 O O . GLU V 349 0.8776 0.8880 1.0748 -0.0658 0.0855 0.0591 350 GLU b O ? ? 1 +31821 N N . GLY V 350 0.8181 0.8697 1.0442 -0.0600 0.0767 0.0580 351 GLY b N ? ? 1 +31822 C CA . GLY V 350 0.8048 0.8644 1.0405 -0.0707 0.0821 0.0572 351 GLY b CA ? ? 1 +31823 C C . GLY V 350 0.7837 0.8564 1.0363 -0.0809 0.0835 0.0531 351 GLY b C ? ? 1 +31824 O O . GLY V 350 0.7814 0.8616 1.0431 -0.0901 0.0879 0.0520 351 GLY b O ? ? 1 +31825 N N A GLU V 351 0.7718 0.8473 1.0283 -0.0791 0.0797 0.0508 352 GLU b N ? ? 1 +31826 N N B GLU V 351 0.7747 0.8503 1.0314 -0.0793 0.0797 0.0507 352 GLU b N ? ? 1 +31827 C CA A GLU V 351 0.7528 0.8419 1.0256 -0.0875 0.0798 0.0467 352 GLU b CA ? ? 1 +31828 C CA B GLU V 351 0.7585 0.8468 1.0309 -0.0881 0.0802 0.0467 352 GLU b CA ? ? 1 +31829 C C A GLU V 351 0.7249 0.8418 1.0193 -0.0885 0.0765 0.0455 352 GLU b C ? ? 1 +31830 C C B GLU V 351 0.7278 0.8445 1.0222 -0.0887 0.0764 0.0453 352 GLU b C ? ? 1 +31831 O O A GLU V 351 0.7111 0.8395 1.0100 -0.0799 0.0711 0.0468 352 GLU b O ? ? 1 +31832 O O B GLU V 351 0.7134 0.8416 1.0126 -0.0799 0.0706 0.0463 352 GLU b O ? ? 1 +31833 C CB A GLU V 351 0.7491 0.8364 1.0212 -0.0835 0.0754 0.0447 352 GLU b CB ? ? 1 +31834 C CB B GLU V 351 0.7622 0.8452 1.0316 -0.0849 0.0767 0.0447 352 GLU b CB ? ? 1 +31835 C CG A GLU V 351 0.7717 0.8324 1.0219 -0.0791 0.0768 0.0462 352 GLU b CG ? ? 1 +31836 C CG B GLU V 351 0.7496 0.8465 1.0351 -0.0927 0.0759 0.0403 352 GLU b CG ? ? 1 +31837 C CD A GLU V 351 0.7684 0.8274 1.0184 -0.0759 0.0730 0.0439 352 GLU b CD ? ? 1 +31838 C CD B GLU V 351 0.7650 0.8477 1.0453 -0.1030 0.0814 0.0379 352 GLU b CD ? ? 1 +31839 O OE1 A GLU V 351 0.7651 0.8267 1.0222 -0.0842 0.0746 0.0405 352 GLU b OE1 ? ? 1 +31840 O OE1 B GLU V 351 0.7769 0.8492 1.0513 -0.1101 0.0879 0.0388 352 GLU b OE1 ? ? 1 +31841 O OE2 A GLU V 351 0.7670 0.8228 1.0102 -0.0650 0.0683 0.0452 352 GLU b OE2 ? ? 1 +31842 O OE2 B GLU V 351 0.7646 0.8471 1.0472 -0.1042 0.0794 0.0351 352 GLU b OE2 ? ? 1 +31843 N N . GLU V 352 0.7158 0.8433 1.0234 -0.0991 0.0799 0.0429 353 GLU b N ? ? 1 +31844 C CA . GLU V 352 0.6868 0.8406 1.0154 -0.1007 0.0768 0.0413 353 GLU b CA ? ? 1 +31845 C CB . GLU V 352 0.6924 0.8536 1.0318 -0.1126 0.0822 0.0391 353 GLU b CB ? ? 1 +31846 C CG . GLU V 352 0.6763 0.8641 1.0367 -0.1136 0.0791 0.0377 353 GLU b CG ? ? 1 +31847 C CD . GLU V 352 0.6801 0.8771 1.0519 -0.1240 0.0841 0.0359 353 GLU b CD ? ? 1 +31848 O OE1 . GLU V 352 0.7055 0.8887 1.0700 -0.1317 0.0908 0.0355 353 GLU b OE1 ? ? 1 +31849 O OE2 . GLU V 352 0.6597 0.8781 1.0483 -0.1243 0.0814 0.0348 353 GLU b OE2 ? ? 1 +31850 C C . GLU V 352 0.6595 0.8267 0.9992 -0.0978 0.0707 0.0386 353 GLU b C ? ? 1 +31851 O O . GLU V 352 0.6691 0.8287 1.0058 -0.1007 0.0709 0.0365 353 GLU b O ? ? 1 +31852 N N . LEU V 353 0.6258 0.8123 0.9776 -0.0921 0.0653 0.0389 354 LEU b N ? ? 1 +31853 C CA . LEU V 353 0.6029 0.8029 0.9651 -0.0885 0.0593 0.0367 354 LEU b CA ? ? 1 +31854 C CB . LEU V 353 0.6001 0.8002 0.9568 -0.0764 0.0540 0.0390 354 LEU b CB ? ? 1 +31855 C CG . LEU V 353 0.6222 0.7995 0.9586 -0.0702 0.0547 0.0412 354 LEU b CG ? ? 1 +31856 C CD1 . LEU V 353 0.6158 0.7975 0.9507 -0.0584 0.0487 0.0426 354 LEU b CD1 ? ? 1 +31857 C CD2 . LEU V 353 0.6384 0.8005 0.9665 -0.0743 0.0570 0.0392 354 LEU b CD2 ? ? 1 +31858 C C . LEU V 353 0.5709 0.7955 0.9539 -0.0925 0.0574 0.0347 354 LEU b C ? ? 1 +31859 O O . LEU V 353 0.5637 0.7968 0.9525 -0.0937 0.0587 0.0359 354 LEU b O ? ? 1 +31860 N N . PHE V 354 0.5517 0.7869 0.9451 -0.0942 0.0542 0.0316 355 PHE b N ? ? 1 +31861 C CA . PHE V 354 0.5256 0.7830 0.9382 -0.0984 0.0523 0.0293 355 PHE b CA ? ? 1 +31862 C CB . PHE V 354 0.5274 0.7854 0.9462 -0.1089 0.0551 0.0256 355 PHE b CB ? ? 1 +31863 C CG . PHE V 354 0.5431 0.7862 0.9534 -0.1165 0.0621 0.0259 355 PHE b CG ? ? 1 +31864 C CD1 . PHE V 354 0.5373 0.7875 0.9549 -0.1223 0.0659 0.0261 355 PHE b CD1 ? ? 1 +31865 C CD2 . PHE V 354 0.5648 0.7862 0.9595 -0.1179 0.0651 0.0260 355 PHE b CD2 ? ? 1 +31866 C CE1 . PHE V 354 0.5528 0.7891 0.9624 -0.1294 0.0728 0.0264 355 PHE b CE1 ? ? 1 +31867 C CE2 . PHE V 354 0.5810 0.7879 0.9674 -0.1252 0.0720 0.0263 355 PHE b CE2 ? ? 1 +31868 C CZ . PHE V 354 0.5743 0.7889 0.9684 -0.1310 0.0759 0.0265 355 PHE b CZ ? ? 1 +31869 C C . PHE V 354 0.5063 0.7777 0.9271 -0.0913 0.0457 0.0288 355 PHE b C ? ? 1 +31870 O O . PHE V 354 0.5085 0.7746 0.9247 -0.0880 0.0433 0.0278 355 PHE b O ? ? 1 +31871 N N . VAL V 355 0.4881 0.7773 0.9210 -0.0890 0.0431 0.0295 356 VAL b N ? ? 1 +31872 C CA . VAL V 355 0.4734 0.7776 0.9155 -0.0829 0.0373 0.0291 356 VAL b CA ? ? 1 +31873 C CB . VAL V 355 0.4593 0.7779 0.9100 -0.0794 0.0354 0.0309 356 VAL b CB ? ? 1 +31874 C CG1 . VAL V 355 0.4446 0.7785 0.9049 -0.0734 0.0297 0.0304 356 VAL b CG1 ? ? 1 +31875 C CG2 . VAL V 355 0.4697 0.7770 0.9081 -0.0740 0.0368 0.0344 356 VAL b CG2 ? ? 1 +31876 C C . VAL V 355 0.4657 0.7812 0.9198 -0.0883 0.0357 0.0254 356 VAL b C ? ? 1 +31877 O O . VAL V 355 0.4642 0.7873 0.9276 -0.0960 0.0378 0.0236 356 VAL b O ? ? 1 +31878 N N . ARG V 356 0.4632 0.7796 0.9170 -0.0842 0.0319 0.0242 357 ARG b N ? ? 1 +31879 C CA . ARG V 356 0.4562 0.7838 0.9209 -0.0882 0.0296 0.0208 357 ARG b CA ? ? 1 +31880 C CB . ARG V 356 0.4682 0.7905 0.9272 -0.0832 0.0266 0.0198 357 ARG b CB ? ? 1 +31881 C CG . ARG V 356 0.4684 0.8000 0.9365 -0.0870 0.0240 0.0162 357 ARG b CG ? ? 1 +31882 C CD . ARG V 356 0.4881 0.8099 0.9530 -0.0956 0.0271 0.0133 357 ARG b CD ? ? 1 +31883 N NE . ARG V 356 0.4923 0.8207 0.9634 -0.0982 0.0242 0.0098 357 ARG b NE ? ? 1 +31884 C CZ . ARG V 356 0.4847 0.8307 0.9703 -0.1011 0.0217 0.0078 357 ARG b CZ ? ? 1 +31885 N NH1 . ARG V 356 0.4756 0.8354 0.9713 -0.1007 0.0213 0.0092 357 ARG b NH1 ? ? 1 +31886 N NH2 . ARG V 356 0.4853 0.8346 0.9747 -0.1042 0.0194 0.0043 357 ARG b NH2 ? ? 1 +31887 C C . ARG V 356 0.4317 0.7807 0.9121 -0.0874 0.0266 0.0207 357 ARG b C ? ? 1 +31888 O O . ARG V 356 0.4278 0.7838 0.9100 -0.0801 0.0235 0.0226 357 ARG b O ? ? 1 +31889 N N . ARG V 357 0.4206 0.7799 0.9122 -0.0948 0.0276 0.0184 358 ARG b N ? ? 1 +31890 C CA . ARG V 357 0.3980 0.7769 0.9043 -0.0946 0.0251 0.0182 358 ARG b CA ? ? 1 +31891 C CB . ARG V 357 0.3985 0.7848 0.9147 -0.1036 0.0276 0.0159 358 ARG b CB ? ? 1 +31892 C CG . ARG V 357 0.4065 0.7867 0.9191 -0.1067 0.0325 0.0177 358 ARG b CG ? ? 1 +31893 C CD . ARG V 357 0.4054 0.7933 0.9284 -0.1157 0.0352 0.0151 358 ARG b CD ? ? 1 +31894 N NE . ARG V 357 0.4107 0.7957 0.9321 -0.1183 0.0400 0.0169 358 ARG b NE ? ? 1 +31895 C CZ . ARG V 357 0.4047 0.8006 0.9372 -0.1239 0.0420 0.0156 358 ARG b CZ ? ? 1 +31896 N NH1 . ARG V 357 0.3951 0.8045 0.9408 -0.1283 0.0400 0.0122 358 ARG b NH1 ? ? 1 +31897 N NH2 . ARG V 357 0.4065 0.8003 0.9369 -0.1247 0.0460 0.0177 358 ARG b NH2 ? ? 1 +31898 C C . ARG V 357 0.3798 0.7697 0.8930 -0.0908 0.0200 0.0168 358 ARG b C ? ? 1 +31899 O O . ARG V 357 0.3854 0.7702 0.8952 -0.0915 0.0188 0.0148 358 ARG b O ? ? 1 +31900 N N . MET V 358 0.3595 0.7643 0.8820 -0.0870 0.0172 0.0179 359 MET b N ? ? 1 +31901 C CA . MET V 358 0.3453 0.7618 0.8750 -0.0832 0.0126 0.0170 359 MET b CA ? ? 1 +31902 C CB . MET V 358 0.3306 0.7596 0.8675 -0.0784 0.0106 0.0192 359 MET b CB ? ? 1 +31903 C CG . MET V 358 0.3167 0.7598 0.8629 -0.0756 0.0064 0.0183 359 MET b CG ? ? 1 +31904 S SD . MET V 358 0.3017 0.7592 0.8568 -0.0713 0.0046 0.0207 359 MET b SD ? ? 1 +31905 C CE . MET V 358 0.3001 0.7543 0.8483 -0.0614 0.0019 0.0227 359 MET b CE ? ? 1 +31906 C C . MET V 358 0.3392 0.7653 0.8790 -0.0893 0.0113 0.0136 359 MET b C ? ? 1 +31907 O O . MET V 358 0.3335 0.7686 0.8825 -0.0942 0.0123 0.0127 359 MET b O ? ? 1 +31908 N N . PRO V 359 0.3383 0.7631 0.8768 -0.0889 0.0089 0.0113 360 PRO b N ? ? 1 +31909 C CA . PRO V 359 0.3276 0.7636 0.8763 -0.0932 0.0065 0.0082 360 PRO b CA ? ? 1 +31910 C CB . PRO V 359 0.3367 0.7644 0.8784 -0.0924 0.0049 0.0061 360 PRO b CB ? ? 1 +31911 C CG . PRO V 359 0.3517 0.7625 0.8794 -0.0891 0.0073 0.0079 360 PRO b CG ? ? 1 +31912 C CD . PRO V 359 0.3482 0.7601 0.8749 -0.0845 0.0084 0.0116 360 PRO b CD ? ? 1 +31913 C C . PRO V 359 0.3083 0.7610 0.8677 -0.0895 0.0031 0.0089 360 PRO b C ? ? 1 +31914 O O . PRO V 359 0.3049 0.7595 0.8624 -0.0827 0.0016 0.0113 360 PRO b O ? ? 1 +31915 N N . ALA V 360 0.2967 0.7614 0.8672 -0.0941 0.0018 0.0067 361 ALA b N ? ? 1 +31916 C CA . ALA V 360 0.2783 0.7586 0.8592 -0.0913 -0.0012 0.0073 361 ALA b CA ? ? 1 +31917 C CB . ALA V 360 0.2711 0.7624 0.8631 -0.0972 -0.0022 0.0044 361 ALA b CB ? ? 1 +31918 C C . ALA V 360 0.2720 0.7550 0.8513 -0.0852 -0.0048 0.0077 361 ALA b C ? ? 1 +31919 O O . ALA V 360 0.2617 0.7551 0.8469 -0.0813 -0.0069 0.0091 361 ALA b O ? ? 1 +31920 N N . PHE V 361 0.2798 0.7537 0.8513 -0.0845 -0.0055 0.0062 362 PHE b N ? ? 1 +31921 C CA . PHE V 361 0.2757 0.7521 0.8458 -0.0792 -0.0086 0.0062 362 PHE b CA ? ? 1 +31922 C CB . PHE V 361 0.2870 0.7527 0.8486 -0.0800 -0.0091 0.0038 362 PHE b CB ? ? 1 +31923 C CG . PHE V 361 0.2837 0.7556 0.8502 -0.0831 -0.0121 0.0004 362 PHE b CG ? ? 1 +31924 C CD1 . PHE V 361 0.2724 0.7563 0.8457 -0.0802 -0.0154 0.0004 362 PHE b CD1 ? ? 1 +31925 C CD2 . PHE V 361 0.2931 0.7579 0.8567 -0.0888 -0.0118 -0.0028 362 PHE b CD2 ? ? 1 +31926 C CE1 . PHE V 361 0.2708 0.7599 0.8478 -0.0827 -0.0184 -0.0027 362 PHE b CE1 ? ? 1 +31927 C CE2 . PHE V 361 0.2918 0.7624 0.8597 -0.0914 -0.0150 -0.0061 362 PHE b CE2 ? ? 1 +31928 C CZ . PHE V 361 0.2805 0.7631 0.8548 -0.0882 -0.0183 -0.0060 362 PHE b CZ ? ? 1 +31929 C C . PHE V 361 0.2731 0.7484 0.8392 -0.0718 -0.0085 0.0096 362 PHE b C ? ? 1 +31930 O O . PHE V 361 0.2661 0.7483 0.8348 -0.0672 -0.0109 0.0101 362 PHE b O ? ? 1 +31931 N N . PHE V 362 0.2800 0.7468 0.8401 -0.0708 -0.0057 0.0116 363 PHE b N ? ? 1 +31932 C CA . PHE V 362 0.2822 0.7451 0.8365 -0.0636 -0.0056 0.0144 363 PHE b CA ? ? 1 +31933 C CB . PHE V 362 0.2964 0.7430 0.8389 -0.0634 -0.0027 0.0152 363 PHE b CB ? ? 1 +31934 C CG . PHE V 362 0.3087 0.7437 0.8427 -0.0645 -0.0025 0.0130 363 PHE b CG ? ? 1 +31935 C CD1 . PHE V 362 0.3131 0.7455 0.8480 -0.0717 -0.0018 0.0101 363 PHE b CD1 ? ? 1 +31936 C CD2 . PHE V 362 0.3151 0.7419 0.8402 -0.0584 -0.0030 0.0137 363 PHE b CD2 ? ? 1 +31937 C CE1 . PHE V 362 0.3253 0.7464 0.8520 -0.0729 -0.0016 0.0080 363 PHE b CE1 ? ? 1 +31938 C CE2 . PHE V 362 0.3278 0.7433 0.8445 -0.0593 -0.0027 0.0117 363 PHE b CE2 ? ? 1 +31939 C CZ . PHE V 362 0.3332 0.7456 0.8506 -0.0667 -0.0020 0.0088 363 PHE b CZ ? ? 1 +31940 C C . PHE V 362 0.2719 0.7439 0.8323 -0.0609 -0.0057 0.0170 363 PHE b C ? ? 1 +31941 O O . PHE V 362 0.2735 0.7451 0.8353 -0.0638 -0.0036 0.0179 363 PHE b O ? ? 1 +31942 N N . GLU V 363 0.2645 0.7442 0.8281 -0.0553 -0.0079 0.0182 364 GLU b N ? ? 1 +31943 C CA . GLU V 363 0.2566 0.7439 0.8249 -0.0520 -0.0082 0.0207 364 GLU b CA ? ? 1 +31944 C CB . GLU V 363 0.2500 0.7466 0.8227 -0.0467 -0.0108 0.0213 364 GLU b CB ? ? 1 +31945 C CG . GLU V 363 0.2437 0.7504 0.8245 -0.0495 -0.0128 0.0195 364 GLU b CG ? ? 1 +31946 C CD . GLU V 363 0.2333 0.7513 0.8240 -0.0522 -0.0132 0.0199 364 GLU b CD ? ? 1 +31947 O OE1 . GLU V 363 0.2338 0.7533 0.8258 -0.0510 -0.0122 0.0218 364 GLU b OE1 ? ? 1 +31948 O OE2 . GLU V 363 0.2284 0.7538 0.8254 -0.0551 -0.0147 0.0183 364 GLU b OE2 ? ? 1 +31949 C C . GLU V 363 0.2626 0.7398 0.8225 -0.0488 -0.0064 0.0228 364 GLU b C ? ? 1 +31950 O O . GLU V 363 0.2585 0.7383 0.8205 -0.0487 -0.0055 0.0245 364 GLU b O ? ? 1 +31951 N N . SER V 364 0.2731 0.7385 0.8230 -0.0462 -0.0058 0.0226 365 SER b N ? ? 1 +31952 C CA . SER V 364 0.2821 0.7365 0.8227 -0.0429 -0.0042 0.0245 365 SER b CA ? ? 1 +31953 C CB . SER V 364 0.2803 0.7365 0.8192 -0.0348 -0.0061 0.0260 365 SER b CB ? ? 1 +31954 O OG . SER V 364 0.2862 0.7381 0.8207 -0.0320 -0.0069 0.0248 365 SER b OG ? ? 1 +31955 C C . SER V 364 0.2969 0.7361 0.8271 -0.0453 -0.0022 0.0233 365 SER b C ? ? 1 +31956 O O . SER V 364 0.3006 0.7384 0.8304 -0.0473 -0.0028 0.0211 365 SER b O ? ? 1 +31957 N N . PHE V 365 0.3070 0.7343 0.8283 -0.0449 0.0001 0.0247 366 PHE b N ? ? 1 +31958 C CA . PHE V 365 0.3217 0.7334 0.8325 -0.0478 0.0025 0.0237 366 PHE b CA ? ? 1 +31959 C CB . PHE V 365 0.3214 0.7328 0.8357 -0.0568 0.0049 0.0222 366 PHE b CB ? ? 1 +31960 C CG . PHE V 365 0.3335 0.7316 0.8397 -0.0612 0.0070 0.0202 366 PHE b CG ? ? 1 +31961 C CD1 . PHE V 365 0.3330 0.7318 0.8402 -0.0623 0.0053 0.0176 366 PHE b CD1 ? ? 1 +31962 C CD2 . PHE V 365 0.3469 0.7310 0.8440 -0.0642 0.0106 0.0209 366 PHE b CD2 ? ? 1 +31963 C CE1 . PHE V 365 0.3462 0.7323 0.8456 -0.0664 0.0070 0.0156 366 PHE b CE1 ? ? 1 +31964 C CE2 . PHE V 365 0.3602 0.7314 0.8496 -0.0685 0.0126 0.0190 366 PHE b CE2 ? ? 1 +31965 C CZ . PHE V 365 0.3600 0.7323 0.8507 -0.0695 0.0107 0.0163 366 PHE b CZ ? ? 1 +31966 C C . PHE V 365 0.3351 0.7335 0.8341 -0.0431 0.0039 0.0259 366 PHE b C ? ? 1 +31967 O O . PHE V 365 0.3327 0.7334 0.8323 -0.0408 0.0040 0.0281 366 PHE b O ? ? 1 +31968 N N . PRO V 366 0.3514 0.7353 0.8389 -0.0410 0.0047 0.0255 367 PRO b N ? ? 1 +31969 C CA . PRO V 366 0.3660 0.7361 0.8414 -0.0364 0.0060 0.0276 367 PRO b CA ? ? 1 +31970 C CB . PRO V 366 0.3779 0.7359 0.8435 -0.0336 0.0058 0.0264 367 PRO b CB ? ? 1 +31971 C CG . PRO V 366 0.3747 0.7363 0.8454 -0.0397 0.0058 0.0235 367 PRO b CG ? ? 1 +31972 C CD . PRO V 366 0.3564 0.7363 0.8416 -0.0424 0.0042 0.0230 367 PRO b CD ? ? 1 +31973 C C . PRO V 366 0.3786 0.7392 0.8486 -0.0419 0.0096 0.0285 367 PRO b C ? ? 1 +31974 O O . PRO V 366 0.3801 0.7433 0.8552 -0.0497 0.0115 0.0269 367 PRO b O ? ? 1 +31975 N N . VAL V 367 0.3921 0.7422 0.8521 -0.0377 0.0106 0.0308 368 VAL b N ? ? 1 +31976 C CA . VAL V 367 0.4052 0.7445 0.8581 -0.0419 0.0144 0.0320 368 VAL b CA ? ? 1 +31977 C CB . VAL V 367 0.4024 0.7435 0.8538 -0.0369 0.0138 0.0349 368 VAL b CB ? ? 1 +31978 C CG1 . VAL V 367 0.4176 0.7440 0.8581 -0.0399 0.0179 0.0365 368 VAL b CG1 ? ? 1 +31979 C CG2 . VAL V 367 0.3828 0.7432 0.8490 -0.0381 0.0119 0.0349 368 VAL b CG2 ? ? 1 +31980 C C . VAL V 367 0.4307 0.7495 0.8685 -0.0421 0.0168 0.0319 368 VAL b C ? ? 1 +31981 O O . VAL V 367 0.4401 0.7493 0.8679 -0.0349 0.0158 0.0332 368 VAL b O ? ? 1 +31982 N N . ILE V 368 0.4461 0.7586 0.8828 -0.0504 0.0200 0.0300 369 ILE b N ? ? 1 +31983 C CA . ILE V 368 0.4703 0.7632 0.8931 -0.0519 0.0227 0.0295 369 ILE b CA ? ? 1 +31984 C CB . ILE V 368 0.4710 0.7652 0.8966 -0.0541 0.0214 0.0263 369 ILE b CB ? ? 1 +31985 C CG1 . ILE V 368 0.4625 0.7655 0.8917 -0.0457 0.0168 0.0263 369 ILE b CG1 ? ? 1 +31986 C CG2 . ILE V 368 0.4929 0.7667 0.9047 -0.0567 0.0243 0.0254 369 ILE b CG2 ? ? 1 +31987 C CD1 . ILE V 368 0.4570 0.7666 0.8924 -0.0478 0.0149 0.0233 369 ILE b CD1 ? ? 1 +31988 C C . ILE V 368 0.4860 0.7695 0.9044 -0.0598 0.0277 0.0298 369 ILE b C ? ? 1 +31989 O O . ILE V 368 0.4772 0.7710 0.9063 -0.0670 0.0290 0.0284 369 ILE b O ? ? 1 +31990 N N . LEU V 369 0.5119 0.7758 0.9145 -0.0583 0.0306 0.0315 370 LEU b N ? ? 1 +31991 C CA . LEU V 369 0.5297 0.7820 0.9259 -0.0654 0.0359 0.0320 370 LEU b CA ? ? 1 +31992 C CB . LEU V 369 0.5358 0.7805 0.9229 -0.0610 0.0373 0.0356 370 LEU b CB ? ? 1 +31993 C CG . LEU V 369 0.5184 0.7802 0.9169 -0.0597 0.0357 0.0368 370 LEU b CG ? ? 1 +31994 C CD1 . LEU V 369 0.5057 0.7802 0.9105 -0.0508 0.0300 0.0374 370 LEU b CD1 ? ? 1 +31995 C CD2 . LEU V 369 0.5283 0.7806 0.9174 -0.0586 0.0386 0.0398 370 LEU b CD2 ? ? 1 +31996 C C . LEU V 369 0.5577 0.7906 0.9414 -0.0689 0.0389 0.0307 370 LEU b C ? ? 1 +31997 O O . LEU V 369 0.5687 0.7884 0.9401 -0.0626 0.0379 0.0316 370 LEU b O ? ? 1 +31998 N N . THR V 370 0.5727 0.8044 0.9602 -0.0791 0.0424 0.0283 371 THR b N ? ? 1 +31999 C CA . THR V 370 0.6010 0.8147 0.9776 -0.0840 0.0457 0.0267 371 THR b CA ? ? 1 +32000 C CB . THR V 370 0.5953 0.8180 0.9828 -0.0911 0.0448 0.0226 371 THR b CB ? ? 1 +32001 O OG1 . THR V 370 0.5849 0.8236 0.9872 -0.0981 0.0459 0.0215 371 THR b OG1 ? ? 1 +32002 C CG2 . THR V 370 0.5835 0.8170 0.9772 -0.0850 0.0392 0.0212 371 THR b CG2 ? ? 1 +32003 C C . THR V 370 0.6295 0.8291 0.9973 -0.0903 0.0520 0.0280 371 THR b C ? ? 1 +32004 O O . THR V 370 0.6258 0.8332 0.9996 -0.0928 0.0538 0.0293 371 THR b O ? ? 1 +32005 N N . ASP V 371 0.6704 0.8489 1.0238 -0.0929 0.0554 0.0277 372 ASP b N ? ? 1 +32006 C CA . ASP V 371 0.6984 0.8634 1.0447 -0.1013 0.0620 0.0279 372 ASP b CA ? ? 1 +32007 C CB . ASP V 371 0.7236 0.8618 1.0492 -0.0998 0.0649 0.0289 372 ASP b CB ? ? 1 +32008 C CG . ASP V 371 0.7332 0.8643 1.0557 -0.1014 0.0636 0.0258 372 ASP b CG ? ? 1 +32009 O OD1 . ASP V 371 0.7149 0.8618 1.0517 -0.1047 0.0607 0.0225 372 ASP b OD1 ? ? 1 +32010 O OD2 . ASP V 371 0.7639 0.8734 1.0694 -0.0991 0.0655 0.0266 372 ASP b OD2 ? ? 1 +32011 C C . ASP V 371 0.7098 0.8848 1.0695 -0.1127 0.0639 0.0239 372 ASP b C ? ? 1 +32012 O O . ASP V 371 0.6867 0.8777 1.0596 -0.1133 0.0598 0.0212 372 ASP b O ? ? 1 +32013 N N . LYS V 372 0.7524 0.9178 1.1085 -0.1217 0.0702 0.0235 373 LYS b N ? ? 1 +32014 C CA . LYS V 372 0.7710 0.9458 1.1401 -0.1330 0.0725 0.0197 373 LYS b CA ? ? 1 +32015 C CB . LYS V 372 0.8085 0.9704 1.1711 -0.1418 0.0804 0.0201 373 LYS b CB ? ? 1 +32016 C CG . LYS V 372 0.8556 0.9899 1.1981 -0.1432 0.0846 0.0208 373 LYS b CG ? ? 1 +32017 C CD . LYS V 372 0.8869 1.0069 1.2201 -0.1495 0.0925 0.0227 373 LYS b CD ? ? 1 +32018 C CE . LYS V 372 0.9221 1.0178 1.2402 -0.1553 0.0975 0.0217 373 LYS b CE ? ? 1 +32019 N NZ . LYS V 372 0.9518 1.0340 1.2615 -0.1620 0.1057 0.0234 373 LYS b NZ ? ? 1 +32020 C C . LYS V 372 0.7740 0.9479 1.1453 -0.1361 0.0702 0.0157 373 LYS b C ? ? 1 +32021 O O . LYS V 372 0.7569 0.9463 1.1434 -0.1423 0.0688 0.0122 373 LYS b O ? ? 1 +32022 N N . ASN V 373 0.7952 0.9514 1.1514 -0.1313 0.0693 0.0162 374 ASN b N ? ? 1 +32023 C CA . ASN V 373 0.7988 0.9529 1.1551 -0.1324 0.0665 0.0127 374 ASN b CA ? ? 1 +32024 C CB . ASN V 373 0.8375 0.9657 1.1731 -0.1291 0.0683 0.0137 374 ASN b CB ? ? 1 +32025 C CG . ASN V 373 0.8754 0.9833 1.1983 -0.1355 0.0754 0.0149 374 ASN b CG ? ? 1 +32026 O OD1 . ASN V 373 0.9002 0.9928 1.2082 -0.1301 0.0777 0.0187 374 ASN b OD1 ? ? 1 +32027 N ND2 . ASN V 373 0.8847 0.9922 1.2131 -0.1471 0.0791 0.0115 374 ASN b ND2 ? ? 1 +32028 C C . ASN V 373 0.7689 0.9395 1.1346 -0.1249 0.0594 0.0119 374 ASN b C ? ? 1 +32029 O O . ASN V 373 0.7737 0.9425 1.1388 -0.1248 0.0567 0.0091 374 ASN b O ? ? 1 +32030 N N . GLY V 374 0.7414 0.9271 1.1149 -0.1184 0.0564 0.0143 375 GLY b N ? ? 1 +32031 C CA . GLY V 374 0.7120 0.9134 1.0944 -0.1113 0.0500 0.0137 375 GLY b CA ? ? 1 +32032 C C . GLY V 374 0.7081 0.8991 1.0782 -0.1007 0.0471 0.0154 375 GLY b C ? ? 1 +32033 O O . GLY V 374 0.7011 0.9026 1.0771 -0.0956 0.0423 0.0144 375 GLY b O ? ? 1 +32034 N N . VAL V 375 0.7129 0.8833 1.0658 -0.0974 0.0501 0.0181 376 VAL b N ? ? 1 +32035 C CA . VAL V 375 0.7128 0.8733 1.0538 -0.0866 0.0474 0.0200 376 VAL b CA ? ? 1 +32036 C CB . VAL V 375 0.7442 0.8772 1.0646 -0.0863 0.0515 0.0213 376 VAL b CB ? ? 1 +32037 C CG1 . VAL V 375 0.7514 0.8744 1.0593 -0.0742 0.0488 0.0237 376 VAL b CG1 ? ? 1 +32038 C CG2 . VAL V 375 0.7614 0.8837 1.0782 -0.0945 0.0538 0.0176 376 VAL b CG2 ? ? 1 +32039 C C . VAL V 375 0.6867 0.8579 1.0312 -0.0780 0.0448 0.0235 376 VAL b C ? ? 1 +32040 O O . VAL V 375 0.6786 0.8507 1.0236 -0.0797 0.0473 0.0257 376 VAL b O ? ? 1 +32041 N N . VAL V 376 0.6658 0.8447 1.0127 -0.0689 0.0398 0.0238 377 VAL b N ? ? 1 +32042 C CA . VAL V 376 0.6425 0.8328 0.9937 -0.0605 0.0367 0.0266 377 VAL b CA ? ? 1 +32043 C CB . VAL V 376 0.6304 0.8319 0.9874 -0.0525 0.0314 0.0257 377 VAL b CB ? ? 1 +32044 C CG1 . VAL V 376 0.6181 0.8302 0.9789 -0.0436 0.0283 0.0286 377 VAL b CG1 ? ? 1 +32045 C CG2 . VAL V 376 0.6149 0.8334 0.9872 -0.0578 0.0294 0.0224 377 VAL b CG2 ? ? 1 +32046 C C . VAL V 376 0.6512 0.8248 0.9867 -0.0545 0.0385 0.0301 377 VAL b C ? ? 1 +32047 O O . VAL V 376 0.6692 0.8246 0.9899 -0.0506 0.0391 0.0305 377 VAL b O ? ? 1 +32048 N N . LYS V 377 0.6397 0.8192 0.9781 -0.0536 0.0391 0.0326 378 LYS b N ? ? 1 +32049 C CA . LYS V 377 0.6531 0.8180 0.9770 -0.0478 0.0404 0.0361 378 LYS b CA ? ? 1 +32050 C CB . LYS V 377 0.6717 0.8272 0.9906 -0.0559 0.0462 0.0372 378 LYS b CB ? ? 1 +32051 C CG . LYS V 377 0.6977 0.8369 1.0087 -0.0645 0.0509 0.0352 378 LYS b CG ? ? 1 +32052 C CD . LYS V 377 0.7258 0.8417 1.0176 -0.0592 0.0514 0.0358 378 LYS b CD ? ? 1 +32053 C CE . LYS V 377 0.7556 0.8480 1.0291 -0.0602 0.0564 0.0384 378 LYS b CE ? ? 1 +32054 N NZ . LYS V 377 0.7711 0.8543 1.0430 -0.0725 0.0623 0.0365 378 LYS b NZ ? ? 1 +32055 C C . LYS V 377 0.6313 0.8082 0.9597 -0.0388 0.0363 0.0385 378 LYS b C ? ? 1 +32056 O O . LYS V 377 0.6457 0.8114 0.9619 -0.0311 0.0357 0.0410 378 LYS b O ? ? 1 +32057 N N . ALA V 378 0.5967 0.7962 0.9426 -0.0397 0.0336 0.0376 379 ALA b N ? ? 1 +32058 C CA . ALA V 378 0.5754 0.7874 0.9269 -0.0317 0.0295 0.0394 379 ALA b CA ? ? 1 +32059 C CB . ALA V 378 0.5767 0.7879 0.9263 -0.0330 0.0317 0.0419 379 ALA b CB ? ? 1 +32060 C C . ALA V 378 0.5463 0.7818 0.9164 -0.0321 0.0259 0.0376 379 ALA b C ? ? 1 +32061 O O . ALA V 378 0.5401 0.7841 0.9202 -0.0400 0.0270 0.0352 379 ALA b O ? ? 1 +32062 N N . ASP V 379 0.5289 0.7747 0.9033 -0.0234 0.0214 0.0385 380 ASP b N ? ? 1 +32063 C CA . ASP V 379 0.5018 0.7695 0.8931 -0.0229 0.0180 0.0371 380 ASP b CA ? ? 1 +32064 C CB . ASP V 379 0.4988 0.7685 0.8925 -0.0218 0.0161 0.0346 380 ASP b CB ? ? 1 +32065 C CG . ASP V 379 0.5090 0.7672 0.8912 -0.0128 0.0145 0.0351 380 ASP b CG ? ? 1 +32066 O OD1 . ASP V 379 0.5088 0.7673 0.8879 -0.0048 0.0123 0.0372 380 ASP b OD1 ? ? 1 +32067 O OD2 . ASP V 379 0.5134 0.7629 0.8903 -0.0137 0.0151 0.0333 380 ASP b OD2 ? ? 1 +32068 C C . ASP V 379 0.4898 0.7677 0.8850 -0.0145 0.0142 0.0390 380 ASP b C ? ? 1 +32069 O O . ASP V 379 0.5016 0.7694 0.8861 -0.0084 0.0138 0.0412 380 ASP b O ? ? 1 +32070 N N . ILE V 380 0.4657 0.7637 0.8763 -0.0144 0.0114 0.0382 381 ILE b N ? ? 1 +32071 C CA . ILE V 380 0.4527 0.7618 0.8685 -0.0063 0.0074 0.0393 381 ILE b CA ? ? 1 +32072 C CB . ILE V 380 0.4339 0.7616 0.8642 -0.0089 0.0062 0.0395 381 ILE b CB ? ? 1 +32073 C CG1 . ILE V 380 0.4379 0.7607 0.8650 -0.0139 0.0092 0.0410 381 ILE b CG1 ? ? 1 +32074 C CG2 . ILE V 380 0.4241 0.7629 0.8597 -0.0006 0.0020 0.0404 381 ILE b CG2 ? ? 1 +32075 C CD1 . ILE V 380 0.4219 0.7613 0.8624 -0.0174 0.0087 0.0409 381 ILE b CD1 ? ? 1 +32076 C C . ILE V 380 0.4464 0.7592 0.8644 -0.0011 0.0048 0.0378 381 ILE b C ? ? 1 +32077 O O . ILE V 380 0.4328 0.7557 0.8603 -0.0046 0.0042 0.0357 381 ILE b O ? ? 1 +32078 N N . PRO V 381 0.4562 0.7605 0.8649 0.0075 0.0031 0.0386 382 PRO b N ? ? 1 +32079 C CA . PRO V 381 0.4539 0.7602 0.8635 0.0127 0.0010 0.0371 382 PRO b CA ? ? 1 +32080 C CB . PRO V 381 0.4714 0.7620 0.8663 0.0209 0.0005 0.0384 382 PRO b CB ? ? 1 +32081 C CG . PRO V 381 0.4735 0.7631 0.8656 0.0227 0.0001 0.0408 382 PRO b CG ? ? 1 +32082 C CD . PRO V 381 0.4687 0.7609 0.8653 0.0130 0.0030 0.0410 382 PRO b CD ? ? 1 +32083 C C . PRO V 381 0.4326 0.7594 0.8568 0.0162 -0.0024 0.0365 382 PRO b C ? ? 1 +32084 O O . PRO V 381 0.4227 0.7598 0.8535 0.0177 -0.0040 0.0378 382 PRO b O ? ? 1 +32085 N N A PHE V 382 0.4284 0.7604 0.8569 0.0174 -0.0033 0.0346 383 PHE b N ? ? 1 +32086 N N B PHE V 382 0.4270 0.7593 0.8559 0.0171 -0.0033 0.0346 383 PHE b N ? ? 1 +32087 C CA A PHE V 382 0.4135 0.7628 0.8540 0.0217 -0.0062 0.0340 383 PHE b CA ? ? 1 +32088 C CA B PHE V 382 0.4119 0.7614 0.8526 0.0216 -0.0062 0.0340 383 PHE b CA ? ? 1 +32089 C C A PHE V 382 0.4225 0.7678 0.8571 0.0320 -0.0083 0.0346 383 PHE b C ? ? 1 +32090 C C B PHE V 382 0.4211 0.7662 0.8556 0.0318 -0.0083 0.0346 383 PHE b C ? ? 1 +32091 O O A PHE V 382 0.4176 0.7699 0.8556 0.0370 -0.0105 0.0358 383 PHE b O ? ? 1 +32092 O O B PHE V 382 0.4167 0.7682 0.8541 0.0368 -0.0104 0.0359 383 PHE b O ? ? 1 +32093 C CB A PHE V 382 0.4049 0.7615 0.8526 0.0175 -0.0059 0.0317 383 PHE b CB ? ? 1 +32094 C CB B PHE V 382 0.4027 0.7597 0.8508 0.0175 -0.0059 0.0317 383 PHE b CB ? ? 1 +32095 C CG A PHE V 382 0.3869 0.7624 0.8483 0.0200 -0.0082 0.0311 383 PHE b CG ? ? 1 +32096 C CG B PHE V 382 0.3842 0.7601 0.8459 0.0200 -0.0083 0.0312 383 PHE b CG ? ? 1 +32097 C CD1 A PHE V 382 0.3856 0.7647 0.8477 0.0279 -0.0100 0.0308 383 PHE b CD1 ? ? 1 +32098 C CD1 B PHE V 382 0.3827 0.7622 0.8450 0.0280 -0.0101 0.0308 383 PHE b CD1 ? ? 1 +32099 C CD2 A PHE V 382 0.3712 0.7607 0.8446 0.0144 -0.0085 0.0310 383 PHE b CD2 ? ? 1 +32100 C CD2 B PHE V 382 0.3685 0.7585 0.8423 0.0143 -0.0085 0.0310 383 PHE b CD2 ? ? 1 +32101 C CE1 A PHE V 382 0.3700 0.7662 0.8445 0.0298 -0.0117 0.0302 383 PHE b CE1 ? ? 1 +32102 C CE1 B PHE V 382 0.3668 0.7635 0.8416 0.0298 -0.0118 0.0303 383 PHE b CE1 ? ? 1 +32103 C CE2 A PHE V 382 0.3566 0.7626 0.8419 0.0165 -0.0104 0.0305 383 PHE b CE2 ? ? 1 +32104 C CE2 B PHE V 382 0.3541 0.7604 0.8396 0.0165 -0.0104 0.0306 383 PHE b CE2 ? ? 1 +32105 C CZ A PHE V 382 0.3559 0.7650 0.8415 0.0240 -0.0119 0.0302 383 PHE b CZ ? ? 1 +32106 C CZ B PHE V 382 0.3528 0.7624 0.8388 0.0241 -0.0119 0.0303 383 PHE b CZ ? ? 1 +32107 N N A ARG V 383 0.4368 0.7707 0.8625 0.0351 -0.0076 0.0335 384 ARG b N ? ? 1 +32108 N N B ARG V 383 0.4352 0.7692 0.8609 0.0350 -0.0076 0.0335 384 ARG b N ? ? 1 +32109 C CA A ARG V 383 0.4487 0.7757 0.8665 0.0449 -0.0093 0.0340 384 ARG b CA ? ? 1 +32110 C CA B ARG V 383 0.4470 0.7742 0.8649 0.0449 -0.0093 0.0340 384 ARG b CA ? ? 1 +32111 C C A ARG V 383 0.4701 0.7792 0.8732 0.0467 -0.0083 0.0358 384 ARG b C ? ? 1 +32112 C C B ARG V 383 0.4694 0.7785 0.8725 0.0467 -0.0083 0.0358 384 ARG b C ? ? 1 +32113 O O A ARG V 383 0.4855 0.7790 0.8782 0.0423 -0.0055 0.0357 384 ARG b O ? ? 1 +32114 O O B ARG V 383 0.4862 0.7794 0.8786 0.0427 -0.0056 0.0356 384 ARG b O ? ? 1 +32115 C CB A ARG V 383 0.4548 0.7756 0.8678 0.0479 -0.0087 0.0320 384 ARG b CB ? ? 1 +32116 C CB B ARG V 383 0.4525 0.7733 0.8655 0.0479 -0.0087 0.0321 384 ARG b CB ? ? 1 +32117 C CG A ARG V 383 0.4393 0.7767 0.8646 0.0499 -0.0102 0.0304 384 ARG b CG ? ? 1 +32118 C CG B ARG V 383 0.4367 0.7738 0.8619 0.0495 -0.0100 0.0304 384 ARG b CG ? ? 1 +32119 C CD A ARG V 383 0.4476 0.7771 0.8668 0.0523 -0.0092 0.0285 384 ARG b CD ? ? 1 +32120 C CD B ARG V 383 0.4453 0.7742 0.8639 0.0527 -0.0093 0.0286 384 ARG b CD ? ? 1 +32121 N NE A ARG V 383 0.4347 0.7795 0.8649 0.0548 -0.0103 0.0270 384 ARG b NE ? ? 1 +32122 N NE B ARG V 383 0.4317 0.7759 0.8615 0.0541 -0.0101 0.0270 384 ARG b NE ? ? 1 +32123 C CZ A ARG V 383 0.4391 0.7809 0.8665 0.0573 -0.0096 0.0251 384 ARG b CZ ? ? 1 +32124 C CZ B ARG V 383 0.4360 0.7772 0.8629 0.0570 -0.0096 0.0252 384 ARG b CZ ? ? 1 +32125 N NH1 A ARG V 383 0.4562 0.7803 0.8702 0.0577 -0.0081 0.0243 384 ARG b NH1 ? ? 1 +32126 N NH1 B ARG V 383 0.4537 0.7771 0.8671 0.0586 -0.0082 0.0245 384 ARG b NH1 ? ? 1 +32127 N NH2 A ARG V 383 0.4272 0.7837 0.8650 0.0594 -0.0104 0.0240 384 ARG b NH2 ? ? 1 +32128 N NH2 B ARG V 383 0.4236 0.7796 0.8612 0.0582 -0.0102 0.0240 384 ARG b NH2 ? ? 1 +32129 N N . ARG V 384 0.4736 0.7848 0.8758 0.0530 -0.0107 0.0375 385 ARG b N ? ? 1 +32130 C CA . ARG V 384 0.4947 0.7896 0.8830 0.0551 -0.0100 0.0395 385 ARG b CA ? ? 1 +32131 C CB . ARG V 384 0.4891 0.7919 0.8809 0.0597 -0.0129 0.0412 385 ARG b CB ? ? 1 +32132 C CG . ARG V 384 0.4680 0.7901 0.8755 0.0548 -0.0138 0.0411 385 ARG b CG ? ? 1 +32133 C CD . ARG V 384 0.4643 0.7853 0.8738 0.0442 -0.0104 0.0411 385 ARG b CD ? ? 1 +32134 N NE . ARG V 384 0.4511 0.7839 0.8695 0.0410 -0.0111 0.0421 385 ARG b NE ? ? 1 +32135 C CZ . ARG V 384 0.4296 0.7814 0.8634 0.0389 -0.0126 0.0413 385 ARG b CZ ? ? 1 +32136 N NH1 . ARG V 384 0.4203 0.7820 0.8629 0.0387 -0.0131 0.0395 385 ARG b NH1 ? ? 1 +32137 N NH2 . ARG V 384 0.4216 0.7820 0.8616 0.0370 -0.0134 0.0424 385 ARG b NH2 ? ? 1 +32138 C C . ARG V 384 0.5255 0.8031 0.8990 0.0623 -0.0100 0.0395 385 ARG b C ? ? 1 +32139 O O . ARG V 384 0.5429 0.8022 0.9019 0.0621 -0.0083 0.0409 385 ARG b O ? ? 1 +32140 N N . ALA V 385 0.5403 0.8230 0.9168 0.0688 -0.0118 0.0380 386 ALA b N ? ? 1 +32141 C CA . ALA V 385 0.5726 0.8413 0.9363 0.0779 -0.0128 0.0381 386 ALA b CA ? ? 1 +32142 C CB . ALA V 385 0.5654 0.8463 0.9373 0.0854 -0.0153 0.0364 386 ALA b CB ? ? 1 +32143 C C . ALA V 385 0.6087 0.8557 0.9571 0.0754 -0.0095 0.0378 386 ALA b C ? ? 1 +32144 O O . ALA V 385 0.6302 0.8621 0.9653 0.0825 -0.0099 0.0383 386 ALA b O ? ? 1 +32145 N N . GLU V 386 0.6226 0.8678 0.9728 0.0656 -0.0064 0.0367 387 GLU b N ? ? 1 +32146 C CA . GLU V 386 0.6541 0.8781 0.9896 0.0620 -0.0031 0.0363 387 GLU b CA ? ? 1 +32147 C CB . GLU V 386 0.6787 0.9021 1.0149 0.0622 -0.0026 0.0337 387 GLU b CB ? ? 1 +32148 C CG . GLU V 386 0.7116 0.9329 1.0436 0.0738 -0.0049 0.0331 387 GLU b CG ? ? 1 +32149 C CD . GLU V 386 0.7417 0.9613 1.0732 0.0745 -0.0041 0.0305 387 GLU b CD ? ? 1 +32150 O OE1 . GLU V 386 0.7535 0.9714 1.0863 0.0659 -0.0018 0.0290 387 GLU b OE1 ? ? 1 +32151 O OE2 . GLU V 386 0.7673 0.9874 1.0971 0.0839 -0.0058 0.0298 387 GLU b OE2 ? ? 1 +32152 C C . GLU V 386 0.6446 0.8642 0.9795 0.0509 0.0001 0.0369 387 GLU b C ? ? 1 +32153 O O . GLU V 386 0.6521 0.8610 0.9814 0.0443 0.0032 0.0357 387 GLU b O ? ? 1 +32154 N N . SER V 387 0.6272 0.8551 0.9678 0.0491 -0.0005 0.0386 388 SER b N ? ? 1 +32155 C CA . SER V 387 0.6210 0.8454 0.9612 0.0394 0.0026 0.0394 388 SER b CA ? ? 1 +32156 C CB . SER V 387 0.6093 0.8476 0.9587 0.0395 0.0009 0.0411 388 SER b CB ? ? 1 +32157 O OG . SER V 387 0.6194 0.8524 0.9662 0.0315 0.0040 0.0422 388 SER b OG ? ? 1 +32158 C C . SER V 387 0.6379 0.8375 0.9592 0.0383 0.0058 0.0408 388 SER b C ? ? 1 +32159 O O . SER V 387 0.6454 0.8339 0.9552 0.0459 0.0047 0.0426 388 SER b O ? ? 1 +32160 N N . LYS V 388 0.6419 0.8329 0.9601 0.0287 0.0098 0.0398 389 LYS b N ? ? 1 +32161 C CA . LYS V 388 0.6613 0.8294 0.9628 0.0256 0.0136 0.0411 389 LYS b CA ? ? 1 +32162 C CB . LYS V 388 0.6885 0.8427 0.9821 0.0218 0.0161 0.0390 389 LYS b CB ? ? 1 +32163 C CG . LYS V 388 0.7033 0.8599 0.9974 0.0295 0.0132 0.0373 389 LYS b CG ? ? 1 +32164 C CD . LYS V 388 0.7366 0.8734 1.0173 0.0283 0.0156 0.0357 389 LYS b CD ? ? 1 +32165 C CE . LYS V 388 0.7458 0.8840 1.0319 0.0169 0.0183 0.0331 389 LYS b CE ? ? 1 +32166 N NZ . LYS V 388 0.7388 0.8915 1.0364 0.0177 0.0159 0.0303 389 LYS b NZ ? ? 1 +32167 C C . LYS V 388 0.6429 0.8119 0.9469 0.0162 0.0169 0.0421 389 LYS b C ? ? 1 +32168 O O . LYS V 388 0.6546 0.8061 0.9451 0.0144 0.0200 0.0439 389 LYS b O ? ? 1 +32169 N N . TYR V 389 0.6135 0.8027 0.9346 0.0107 0.0162 0.0411 390 TYR b N ? ? 1 +32170 C CA . TYR V 389 0.6028 0.7941 0.9282 0.0007 0.0196 0.0414 390 TYR b CA ? ? 1 +32171 C CB . TYR V 389 0.5924 0.7925 0.9288 -0.0084 0.0210 0.0383 390 TYR b CB ? ? 1 +32172 C CG . TYR V 389 0.6075 0.7916 0.9339 -0.0109 0.0231 0.0365 390 TYR b CG ? ? 1 +32173 C CD1 . TYR V 389 0.6306 0.7932 0.9420 -0.0149 0.0274 0.0372 390 TYR b CD1 ? ? 1 +32174 C CD2 . TYR V 389 0.6033 0.7930 0.9346 -0.0094 0.0209 0.0340 390 TYR b CD2 ? ? 1 +32175 C CE1 . TYR V 389 0.6476 0.7949 0.9496 -0.0175 0.0294 0.0354 390 TYR b CE1 ? ? 1 +32176 C CE2 . TYR V 389 0.6203 0.7950 0.9421 -0.0116 0.0227 0.0321 390 TYR b CE2 ? ? 1 +32177 C CZ . TYR V 389 0.6434 0.7970 0.9507 -0.0157 0.0269 0.0328 390 TYR b CZ ? ? 1 +32178 O OH . TYR V 389 0.6650 0.8034 0.9627 -0.0181 0.0287 0.0308 390 TYR b OH ? ? 1 +32179 C C . TYR V 389 0.5799 0.7866 0.9153 0.0011 0.0181 0.0430 390 TYR b C ? ? 1 +32180 O O . TYR V 389 0.5689 0.7827 0.9121 -0.0070 0.0204 0.0427 390 TYR b O ? ? 1 +32181 N N . SER V 390 0.5720 0.7838 0.9074 0.0107 0.0142 0.0444 391 SER b N ? ? 1 +32182 C CA . SER V 390 0.5546 0.7808 0.8992 0.0117 0.0124 0.0458 391 SER b CA ? ? 1 +32183 C CB . SER V 390 0.5520 0.7827 0.8957 0.0230 0.0076 0.0470 391 SER b CB ? ? 1 +32184 O OG . SER V 390 0.5724 0.7833 0.8982 0.0292 0.0080 0.0488 391 SER b OG ? ? 1 +32185 C C . SER V 390 0.5612 0.7772 0.8980 0.0067 0.0162 0.0478 391 SER b C ? ? 1 +32186 O O . SER V 390 0.5842 0.7799 0.9055 0.0056 0.0194 0.0487 391 SER b O ? ? 1 +32187 N N . PHE V 391 0.5430 0.7729 0.8903 0.0036 0.0159 0.0483 392 PHE b N ? ? 1 +32188 C CA . PHE V 391 0.5484 0.7705 0.8891 -0.0003 0.0193 0.0503 392 PHE b CA ? ? 1 +32189 C CB . PHE V 391 0.5305 0.7720 0.8863 -0.0036 0.0184 0.0503 392 PHE b CB ? ? 1 +32190 C CG . PHE V 391 0.5185 0.7724 0.8884 -0.0133 0.0204 0.0480 392 PHE b CG ? ? 1 +32191 C CD1 . PHE V 391 0.5179 0.7726 0.8916 -0.0165 0.0208 0.0456 392 PHE b CD1 ? ? 1 +32192 C CD2 . PHE V 391 0.5070 0.7721 0.8865 -0.0188 0.0218 0.0482 392 PHE b CD2 ? ? 1 +32193 C CE1 . PHE V 391 0.5048 0.7713 0.8915 -0.0250 0.0221 0.0434 392 PHE b CE1 ? ? 1 +32194 C CE2 . PHE V 391 0.4949 0.7717 0.8875 -0.0271 0.0234 0.0460 392 PHE b CE2 ? ? 1 +32195 C CZ . PHE V 391 0.4936 0.7711 0.8897 -0.0301 0.0234 0.0436 392 PHE b CZ ? ? 1 +32196 C C . PHE V 391 0.5620 0.7688 0.8864 0.0079 0.0183 0.0530 392 PHE b C ? ? 1 +32197 O O . PHE V 391 0.5758 0.7665 0.8872 0.0055 0.0221 0.0547 392 PHE b O ? ? 1 +32198 N N . GLU V 392 0.5584 0.7708 0.8837 0.0178 0.0131 0.0532 393 GLU b N ? ? 1 +32199 C CA . GLU V 392 0.5709 0.7705 0.8817 0.0270 0.0111 0.0554 393 GLU b CA ? ? 1 +32200 C CB . GLU V 392 0.5588 0.7722 0.8773 0.0369 0.0048 0.0550 393 GLU b CB ? ? 1 +32201 C CG . GLU V 392 0.5359 0.7711 0.8704 0.0363 0.0021 0.0548 393 GLU b CG ? ? 1 +32202 C CD . GLU V 392 0.5133 0.7687 0.8669 0.0314 0.0014 0.0524 393 GLU b CD ? ? 1 +32203 O OE1 . GLU V 392 0.5145 0.7675 0.8694 0.0274 0.0033 0.0508 393 GLU b OE1 ? ? 1 +32204 O OE2 . GLU V 392 0.4951 0.7683 0.8618 0.0317 -0.0012 0.0521 393 GLU b OE2 ? ? 1 +32205 C C . GLU V 392 0.5938 0.7694 0.8861 0.0290 0.0136 0.0561 393 GLU b C ? ? 1 +32206 O O . GLU V 392 0.6142 0.7726 0.8906 0.0314 0.0151 0.0583 393 GLU b O ? ? 1 +32207 N N . GLN V 393 0.5938 0.7674 0.8874 0.0278 0.0140 0.0540 394 GLN b N ? ? 1 +32208 C CA . GLN V 393 0.6159 0.7665 0.8923 0.0288 0.0166 0.0543 394 GLN b CA ? ? 1 +32209 C CB . GLN V 393 0.6115 0.7653 0.8927 0.0295 0.0155 0.0517 394 GLN b CB ? ? 1 +32210 C CG . GLN V 393 0.6069 0.7679 0.8904 0.0410 0.0099 0.0514 394 GLN b CG ? ? 1 +32211 C CD . GLN V 393 0.5951 0.7663 0.8887 0.0411 0.0085 0.0486 394 GLN b CD ? ? 1 +32212 O OE1 . GLN V 393 0.5770 0.7660 0.8867 0.0354 0.0083 0.0469 394 GLN b OE1 ? ? 1 +32213 N NE2 . GLN V 393 0.6059 0.7662 0.8902 0.0479 0.0074 0.0481 394 GLN b NE2 ? ? 1 +32214 C C . GLN V 393 0.6318 0.7671 0.8993 0.0189 0.0230 0.0549 394 GLN b C ? ? 1 +32215 O O . GLN V 393 0.6548 0.7677 0.9041 0.0203 0.0256 0.0564 394 GLN b O ? ? 1 +32216 N N . GLN V 394 0.6225 0.7701 0.9031 0.0089 0.0256 0.0536 395 GLN b N ? ? 1 +32217 C CA . GLN V 394 0.6348 0.7710 0.9105 -0.0018 0.0318 0.0533 395 GLN b CA ? ? 1 +32218 C CB . GLN V 394 0.6173 0.7680 0.9091 -0.0107 0.0329 0.0502 395 GLN b CB ? ? 1 +32219 C CG . GLN V 394 0.6147 0.7662 0.9086 -0.0085 0.0306 0.0478 395 GLN b CG ? ? 1 +32220 C CD . GLN V 394 0.6391 0.7664 0.9148 -0.0069 0.0330 0.0480 395 GLN b CD ? ? 1 +32221 O OE1 . GLN V 394 0.6579 0.7677 0.9216 -0.0122 0.0379 0.0490 395 GLN b OE1 ? ? 1 +32222 N NE2 . GLN V 394 0.6423 0.7673 0.9150 0.0004 0.0297 0.0471 395 GLN b NE2 ? ? 1 +32223 C C . GLN V 394 0.6413 0.7757 0.9144 -0.0058 0.0349 0.0555 395 GLN b C ? ? 1 +32224 O O . GLN V 394 0.6484 0.7743 0.9181 -0.0149 0.0405 0.0554 395 GLN b O ? ? 1 +32225 N N . GLY V 395 0.6395 0.7822 0.9147 0.0010 0.0313 0.0572 396 GLY b N ? ? 1 +32226 C CA . GLY V 395 0.6469 0.7876 0.9186 -0.0013 0.0337 0.0593 396 GLY b CA ? ? 1 +32227 C C . GLY V 395 0.6407 0.7926 0.9251 -0.0127 0.0378 0.0581 396 GLY b C ? ? 1 +32228 O O . GLY V 395 0.6574 0.7981 0.9342 -0.0191 0.0433 0.0591 396 GLY b O ? ? 1 +32229 N N . VAL V 396 0.6214 0.7955 0.9252 -0.0151 0.0351 0.0558 397 VAL b N ? ? 1 +32230 C CA . VAL V 396 0.6125 0.7987 0.9299 -0.0255 0.0383 0.0541 397 VAL b CA ? ? 1 +32231 C CB . VAL V 396 0.5906 0.7970 0.9265 -0.0274 0.0351 0.0512 397 VAL b CB ? ? 1 +32232 C CG1 . VAL V 396 0.5786 0.7977 0.9286 -0.0378 0.0382 0.0494 397 VAL b CG1 ? ? 1 +32233 C CG2 . VAL V 396 0.5958 0.7943 0.9275 -0.0264 0.0345 0.0495 397 VAL b CG2 ? ? 1 +32234 C C . VAL V 396 0.6116 0.8054 0.9326 -0.0262 0.0389 0.0558 397 VAL b C ? ? 1 +32235 O O . VAL V 396 0.6052 0.8094 0.9306 -0.0192 0.0343 0.0566 397 VAL b O ? ? 1 +32236 N N . THR V 397 0.6220 0.8103 0.9411 -0.0348 0.0449 0.0560 398 THR b N ? ? 1 +32237 C CA . THR V 397 0.6182 0.8143 0.9418 -0.0369 0.0463 0.0572 398 THR b CA ? ? 1 +32238 C CB . THR V 397 0.6423 0.8177 0.9477 -0.0377 0.0513 0.0598 398 THR b CB ? ? 1 +32239 O OG1 . THR V 397 0.6560 0.8180 0.9553 -0.0461 0.0574 0.0590 398 THR b OG1 ? ? 1 +32240 C CG2 . THR V 397 0.6598 0.8201 0.9481 -0.0273 0.0482 0.0622 398 THR b CG2 ? ? 1 +32241 C C . THR V 397 0.6035 0.8148 0.9439 -0.0469 0.0490 0.0548 398 THR b C ? ? 1 +32242 O O . THR V 397 0.6057 0.8171 0.9506 -0.0528 0.0507 0.0525 398 THR b O ? ? 1 +32243 N N . VAL V 398 0.5927 0.8172 0.9423 -0.0484 0.0490 0.0551 399 VAL b N ? ? 1 +32244 C CA . VAL V 398 0.5833 0.8211 0.9477 -0.0577 0.0521 0.0531 399 VAL b CA ? ? 1 +32245 C CB . VAL V 398 0.5619 0.8238 0.9459 -0.0565 0.0469 0.0511 399 VAL b CB ? ? 1 +32246 C CG1 . VAL V 398 0.5536 0.8255 0.9408 -0.0495 0.0427 0.0527 399 VAL b CG1 ? ? 1 +32247 C CG2 . VAL V 398 0.5517 0.8266 0.9508 -0.0662 0.0498 0.0486 399 VAL b CG2 ? ? 1 +32248 C C . VAL V 398 0.5875 0.8220 0.9482 -0.0612 0.0568 0.0547 399 VAL b C ? ? 1 +32249 O O . VAL V 398 0.5831 0.8172 0.9387 -0.0552 0.0548 0.0568 399 VAL b O ? ? 1 +32250 N N . SER V 399 0.5937 0.8255 0.9565 -0.0710 0.0631 0.0535 400 SER b N ? ? 1 +32251 C CA . SER V 399 0.5979 0.8287 0.9598 -0.0758 0.0683 0.0545 400 SER b CA ? ? 1 +32252 C CB . SER V 399 0.6230 0.8314 0.9685 -0.0806 0.0754 0.0557 400 SER b CB ? ? 1 +32253 O OG . SER V 399 0.6439 0.8335 0.9708 -0.0733 0.0740 0.0581 400 SER b OG ? ? 1 +32254 C C . SER V 399 0.5831 0.8335 0.9647 -0.0835 0.0696 0.0518 400 SER b C ? ? 1 +32255 O O . SER V 399 0.5825 0.8389 0.9734 -0.0887 0.0697 0.0491 400 SER b O ? ? 1 +32256 N N . PHE V 400 0.5760 0.8359 0.9635 -0.0840 0.0706 0.0524 401 PHE b N ? ? 1 +32257 C CA . PHE V 400 0.5632 0.8415 0.9689 -0.0908 0.0720 0.0500 401 PHE b CA ? ? 1 +32258 C CB . PHE V 400 0.5413 0.8367 0.9572 -0.0857 0.0672 0.0503 401 PHE b CB ? ? 1 +32259 C CG . PHE V 400 0.5262 0.8336 0.9508 -0.0798 0.0597 0.0494 401 PHE b CG ? ? 1 +32260 C CD2 . PHE V 400 0.5077 0.8329 0.9498 -0.0832 0.0575 0.0466 401 PHE b CD2 ? ? 1 +32261 C CD1 . PHE V 400 0.5290 0.8295 0.9438 -0.0709 0.0551 0.0512 401 PHE b CD1 ? ? 1 +32262 C CE2 . PHE V 400 0.4965 0.8322 0.9460 -0.0779 0.0510 0.0459 401 PHE b CE2 ? ? 1 +32263 C CE1 . PHE V 400 0.5146 0.8261 0.9375 -0.0657 0.0487 0.0503 401 PHE b CE1 ? ? 1 +32264 C CZ . PHE V 400 0.5004 0.8294 0.9405 -0.0693 0.0468 0.0477 401 PHE b CZ ? ? 1 +32265 C C . PHE V 400 0.5827 0.8548 0.9861 -0.0994 0.0802 0.0498 401 PHE b C ? ? 1 +32266 O O . PHE V 400 0.5959 0.8561 0.9868 -0.0981 0.0837 0.0523 401 PHE b O ? ? 1 +32267 N N . TYR V 401 0.5918 0.8723 1.0076 -0.1080 0.0831 0.0468 402 TYR b N ? ? 1 +32268 C CA . TYR V 401 0.6107 0.8898 1.0288 -0.1170 0.0907 0.0459 402 TYR b CA ? ? 1 +32269 C CB . TYR V 401 0.6352 0.9012 1.0479 -0.1246 0.0958 0.0444 402 TYR b CB ? ? 1 +32270 C CG . TYR V 401 0.6711 0.9139 1.0630 -0.1204 0.0963 0.0469 402 TYR b CG ? ? 1 +32271 C CD1 . TYR V 401 0.6960 0.9203 1.0704 -0.1199 0.1016 0.0499 402 TYR b CD1 ? ? 1 +32272 C CD2 . TYR V 401 0.6804 0.9197 1.0693 -0.1160 0.0912 0.0465 402 TYR b CD2 ? ? 1 +32273 C CE1 . TYR V 401 0.7200 0.9223 1.0745 -0.1154 0.1018 0.0523 402 TYR b CE1 ? ? 1 +32274 C CE2 . TYR V 401 0.7026 0.9207 1.0722 -0.1113 0.0913 0.0488 402 TYR b CE2 ? ? 1 +32275 C CZ . TYR V 401 0.7217 0.9212 1.0740 -0.1110 0.0966 0.0517 402 TYR b CZ ? ? 1 +32276 O OH . TYR V 401 0.7445 0.9225 1.0773 -0.1060 0.0965 0.0540 402 TYR b OH ? ? 1 +32277 C C . TYR V 401 0.5926 0.8948 1.0317 -0.1209 0.0898 0.0433 402 TYR b C ? ? 1 +32278 O O . TYR V 401 0.5821 0.8978 1.0343 -0.1215 0.0854 0.0408 402 TYR b O ? ? 1 +32279 N N . GLY V 402 0.6000 0.9061 1.0415 -0.1234 0.0940 0.0438 403 GLY b N ? ? 1 +32280 C CA . GLY V 402 0.5844 0.9119 1.0446 -0.1259 0.0930 0.0417 403 GLY b CA ? ? 1 +32281 C C . GLY V 402 0.5760 0.9158 1.0415 -0.1173 0.0857 0.0427 403 GLY b C ? ? 1 +32282 O O . GLY V 402 0.5728 0.9053 1.0284 -0.1097 0.0813 0.0448 403 GLY b O ? ? 1 +32283 N N . GLY V 403 0.5727 0.9309 1.0538 -0.1185 0.0846 0.0412 404 GLY b N ? ? 1 +32284 C CA . GLY V 403 0.5629 0.9341 1.0508 -0.1114 0.0779 0.0417 404 GLY b CA ? ? 1 +32285 C C . GLY V 403 0.5745 0.9370 1.0495 -0.1043 0.0769 0.0451 404 GLY b C ? ? 1 +32286 O O . GLY V 403 0.5892 0.9368 1.0507 -0.1053 0.0821 0.0469 404 GLY b O ? ? 1 +32287 N N . GLU V 404 0.5846 0.9563 1.0636 -0.0971 0.0702 0.0457 405 GLU b N ? ? 1 +32288 C CA . GLU V 404 0.5985 0.9666 1.0689 -0.0903 0.0683 0.0482 405 GLU b CA ? ? 1 +32289 C CB . GLU V 404 0.6171 1.0016 1.0989 -0.0847 0.0610 0.0477 405 GLU b CB ? ? 1 +32290 C CG . GLU V 404 0.6619 1.0510 1.1432 -0.0806 0.0598 0.0490 405 GLU b CG ? ? 1 +32291 C CD . GLU V 404 0.6906 1.0994 1.1881 -0.0787 0.0547 0.0475 405 GLU b CD ? ? 1 +32292 O OE1 . GLU V 404 0.7110 1.1253 1.2124 -0.0744 0.0489 0.0473 405 GLU b OE1 ? ? 1 +32293 O OE2 . GLU V 404 0.7234 1.1420 1.2297 -0.0816 0.0568 0.0466 405 GLU b OE2 ? ? 1 +32294 C C . GLU V 404 0.5908 0.9397 1.0421 -0.0851 0.0677 0.0509 405 GLU b C ? ? 1 +32295 O O . GLU V 404 0.6082 0.9492 1.0487 -0.0810 0.0681 0.0531 405 GLU b O ? ? 1 +32296 N N . LEU V 405 0.5699 0.9112 1.0169 -0.0849 0.0665 0.0505 406 LEU b N ? ? 1 +32297 C CA . LEU V 405 0.5727 0.8958 1.0017 -0.0795 0.0656 0.0529 406 LEU b CA ? ? 1 +32298 C CB . LEU V 405 0.5664 0.8920 0.9975 -0.0746 0.0593 0.0523 406 LEU b CB ? ? 1 +32299 C CG . LEU V 405 0.5417 0.8842 0.9840 -0.0685 0.0522 0.0519 406 LEU b CG ? ? 1 +32300 C CD1 . LEU V 405 0.5378 0.8797 0.9788 -0.0628 0.0467 0.0518 406 LEU b CD1 ? ? 1 +32301 C CD2 . LEU V 405 0.5422 0.8842 0.9789 -0.0630 0.0506 0.0539 406 LEU b CD2 ? ? 1 +32302 C C . LEU V 405 0.5897 0.8938 1.0055 -0.0849 0.0727 0.0536 406 LEU b C ? ? 1 +32303 O O . LEU V 405 0.6042 0.8915 1.0045 -0.0813 0.0725 0.0554 406 LEU b O ? ? 1 +32304 N N . ASN V 406 0.5787 0.8855 1.0004 -0.0934 0.0790 0.0522 407 ASN b N ? ? 1 +32305 C CA . ASN V 406 0.5887 0.8787 0.9996 -0.0998 0.0864 0.0525 407 ASN b CA ? ? 1 +32306 C CB . ASN V 406 0.5822 0.8786 1.0014 -0.1080 0.0930 0.0512 407 ASN b CB ? ? 1 +32307 C CG . ASN V 406 0.5949 0.8736 1.0023 -0.1148 0.1015 0.0517 407 ASN b CG ? ? 1 +32308 O OD1 . ASN V 406 0.5961 0.8678 1.0020 -0.1195 0.1034 0.0504 407 ASN b OD1 ? ? 1 +32309 N ND2 . ASN V 406 0.6050 0.8753 1.0030 -0.1155 0.1067 0.0536 407 ASN b ND2 ? ? 1 +32310 C C . ASN V 406 0.6094 0.8778 0.9982 -0.0949 0.0881 0.0560 407 ASN b C ? ? 1 +32311 O O . ASN V 406 0.6148 0.8818 0.9978 -0.0906 0.0879 0.0579 407 ASN b O ? ? 1 +32312 N N . GLY V 407 0.6266 0.8779 1.0026 -0.0951 0.0896 0.0567 408 GLY b N ? ? 1 +32313 C CA . GLY V 407 0.6533 0.8819 1.0070 -0.0912 0.0921 0.0599 408 GLY b CA ? ? 1 +32314 C C . GLY V 407 0.6597 0.8823 1.0035 -0.0804 0.0849 0.0618 408 GLY b C ? ? 1 +32315 O O . GLY V 407 0.6776 0.8803 1.0023 -0.0766 0.0861 0.0642 408 GLY b O ? ? 1 +32316 N N . GLN V 408 0.6482 0.8879 1.0049 -0.0754 0.0775 0.0606 409 GLN b N ? ? 1 +32317 C CA . GLN V 408 0.6571 0.8936 1.0065 -0.0652 0.0706 0.0621 409 GLN b CA ? ? 1 +32318 C CB . GLN V 408 0.6507 0.9078 1.0144 -0.0605 0.0642 0.0613 409 GLN b CB ? ? 1 +32319 C CG . GLN V 408 0.6599 0.9203 1.0229 -0.0603 0.0660 0.0624 409 GLN b CG ? ? 1 +32320 C CD . GLN V 408 0.6552 0.9350 1.0317 -0.0555 0.0594 0.0616 409 GLN b CD ? ? 1 +32321 O OE1 . GLN V 408 0.6794 0.9618 1.0552 -0.0478 0.0528 0.0620 409 GLN b OE1 ? ? 1 +32322 N NE2 . GLN V 408 0.6463 0.9404 1.0359 -0.0601 0.0612 0.0603 409 GLN b NE2 ? ? 1 +32323 C C . GLN V 408 0.6554 0.8866 1.0028 -0.0635 0.0679 0.0613 409 GLN b C ? ? 1 +32324 O O . GLN V 408 0.6479 0.8873 1.0069 -0.0691 0.0684 0.0588 409 GLN b O ? ? 1 +32325 N N . THR V 409 0.6671 0.8840 0.9990 -0.0555 0.0649 0.0633 410 THR b N ? ? 1 +32326 C CA . THR V 409 0.6741 0.8858 1.0029 -0.0518 0.0614 0.0628 410 THR b CA ? ? 1 +32327 C CB . THR V 409 0.6991 0.8853 1.0074 -0.0521 0.0658 0.0645 410 THR b CB ? ? 1 +32328 O OG1 . THR V 409 0.7075 0.8889 1.0171 -0.0626 0.0732 0.0634 410 THR b OG1 ? ? 1 +32329 C CG2 . THR V 409 0.7075 0.8864 1.0103 -0.0470 0.0620 0.0642 410 THR b CG2 ? ? 1 +32330 C C . THR V 409 0.6670 0.8862 0.9971 -0.0412 0.0533 0.0634 410 THR b C ? ? 1 +32331 O O . THR V 409 0.6668 0.8825 0.9890 -0.0351 0.0513 0.0654 410 THR b O ? ? 1 +32332 N N . PHE V 410 0.6606 0.8900 1.0008 -0.0391 0.0487 0.0615 411 PHE b N ? ? 1 +32333 C CA . PHE V 410 0.6528 0.8892 0.9949 -0.0294 0.0412 0.0618 411 PHE b CA ? ? 1 +32334 C CB . PHE V 410 0.6282 0.8889 0.9915 -0.0302 0.0372 0.0595 411 PHE b CB ? ? 1 +32335 C CG . PHE V 410 0.6190 0.8926 0.9922 -0.0338 0.0383 0.0594 411 PHE b CG ? ? 1 +32336 C CD1 . PHE V 410 0.6143 0.8921 0.9860 -0.0278 0.0350 0.0607 411 PHE b CD1 ? ? 1 +32337 C CD2 . PHE V 410 0.6164 0.8979 1.0005 -0.0431 0.0427 0.0577 411 PHE b CD2 ? ? 1 +32338 C CE1 . PHE V 410 0.6059 0.8951 0.9865 -0.0310 0.0361 0.0605 411 PHE b CE1 ? ? 1 +32339 C CE2 . PHE V 410 0.6078 0.9010 1.0008 -0.0460 0.0438 0.0575 411 PHE b CE2 ? ? 1 +32340 C CZ . PHE V 410 0.6032 0.8999 0.9942 -0.0399 0.0406 0.0590 411 PHE b CZ ? ? 1 +32341 C C . PHE V 410 0.6719 0.8956 1.0040 -0.0249 0.0395 0.0619 411 PHE b C ? ? 1 +32342 O O . PHE V 410 0.6737 0.8947 1.0081 -0.0300 0.0419 0.0603 411 PHE b O ? ? 1 +32343 N N . THR V 411 0.6882 0.9039 1.0090 -0.0151 0.0354 0.0637 412 THR b N ? ? 1 +32344 C CA . THR V 411 0.7048 0.9064 1.0139 -0.0097 0.0338 0.0641 412 THR b CA ? ? 1 +32345 C CB . THR V 411 0.7278 0.9061 1.0146 -0.0056 0.0359 0.0669 412 THR b CB ? ? 1 +32346 O OG1 . THR V 411 0.7317 0.9140 1.0162 0.0010 0.0322 0.0684 412 THR b OG1 ? ? 1 +32347 C CG2 . THR V 411 0.7414 0.9056 1.0193 -0.0144 0.0439 0.0678 412 THR b CG2 ? ? 1 +32348 C C . THR V 411 0.7043 0.9163 1.0194 -0.0006 0.0265 0.0633 412 THR b C ? ? 1 +32349 O O . THR V 411 0.7247 0.9292 1.0345 0.0030 0.0250 0.0629 412 THR b O ? ? 1 +32350 N N . ASP V 412 0.7010 0.9299 1.0270 0.0031 0.0220 0.0631 413 ASP b N ? ? 1 +32351 C CA . ASP V 412 0.7043 0.9438 1.0366 0.0116 0.0152 0.0623 413 ASP b CA ? ? 1 +32352 C CB . ASP V 412 0.7192 0.9711 1.0573 0.0166 0.0108 0.0628 413 ASP b CB ? ? 1 +32353 C CG . ASP V 412 0.7372 1.0086 1.0929 0.0104 0.0112 0.0615 413 ASP b CG ? ? 1 +32354 O OD1 . ASP V 412 0.7741 1.0430 1.1298 0.0025 0.0165 0.0618 413 ASP b OD1 ? ? 1 +32355 O OD2 . ASP V 412 0.7426 1.0317 1.1122 0.0134 0.0065 0.0602 413 ASP b OD2 ? ? 1 +32356 C C . ASP V 412 0.6795 0.9339 1.0279 0.0082 0.0141 0.0597 413 ASP b C ? ? 1 +32357 O O . ASP V 412 0.6693 0.9372 1.0315 0.0012 0.0158 0.0583 413 ASP b O ? ? 1 +32358 N N . PRO V 413 0.6710 0.9231 1.0178 0.0134 0.0114 0.0589 414 PRO b N ? ? 1 +32359 C CA . PRO V 413 0.6506 0.9135 1.0099 0.0099 0.0110 0.0564 414 PRO b CA ? ? 1 +32360 C CB . PRO V 413 0.6580 0.9148 1.0109 0.0186 0.0074 0.0562 414 PRO b CB ? ? 1 +32361 C CG . PRO V 413 0.6812 0.9172 1.0143 0.0237 0.0082 0.0586 414 PRO b CG ? ? 1 +32362 C CD . PRO V 413 0.6839 0.9221 1.0160 0.0229 0.0086 0.0602 414 PRO b CD ? ? 1 +32363 C C . PRO V 413 0.6205 0.9072 1.0000 0.0076 0.0085 0.0548 414 PRO b C ? ? 1 +32364 O O . PRO V 413 0.6036 0.8982 0.9933 0.0006 0.0105 0.0530 414 PRO b O ? ? 1 +32365 N N . PRO V 414 0.6052 0.9042 0.9913 0.0131 0.0041 0.0552 415 PRO b N ? ? 1 +32366 C CA . PRO V 414 0.5732 0.8938 0.9778 0.0104 0.0021 0.0537 415 PRO b CA ? ? 1 +32367 C CB . PRO V 414 0.5659 0.8941 0.9722 0.0176 -0.0026 0.0545 415 PRO b CB ? ? 1 +32368 C CG . PRO V 414 0.5900 0.9036 0.9816 0.0260 -0.0046 0.0557 415 PRO b CG ? ? 1 +32369 C CD . PRO V 414 0.6110 0.9040 0.9874 0.0222 0.0005 0.0568 415 PRO b CD ? ? 1 +32370 C C . PRO V 414 0.5515 0.8767 0.9626 0.0007 0.0064 0.0533 415 PRO b C ? ? 1 +32371 O O . PRO V 414 0.5374 0.8747 0.9613 -0.0043 0.0068 0.0515 415 PRO b O ? ? 1 +32372 N N . THR V 415 0.5544 0.8698 0.9565 -0.0016 0.0096 0.0549 416 THR b N ? ? 1 +32373 C CA . THR V 415 0.5413 0.8608 0.9494 -0.0105 0.0140 0.0545 416 THR b CA ? ? 1 +32374 C CB . THR V 415 0.5556 0.8647 0.9527 -0.0107 0.0166 0.0566 416 THR b CB ? ? 1 +32375 O OG1 . THR V 415 0.5539 0.8663 0.9490 -0.0026 0.0118 0.0577 416 THR b OG1 ? ? 1 +32376 C CG2 . THR V 415 0.5480 0.8644 0.9531 -0.0189 0.0206 0.0562 416 THR b CG2 ? ? 1 +32377 C C . THR V 415 0.5363 0.8504 0.9449 -0.0182 0.0184 0.0532 416 THR b C ? ? 1 +32378 O O . THR V 415 0.5309 0.8566 0.9520 -0.0248 0.0198 0.0516 416 THR b O ? ? 1 +32379 N N . VAL V 416 0.5430 0.8393 0.9377 -0.0172 0.0203 0.0538 417 VAL b N ? ? 1 +32380 C CA . VAL V 416 0.5431 0.8326 0.9368 -0.0243 0.0244 0.0524 417 VAL b CA ? ? 1 +32381 C CB . VAL V 416 0.5661 0.8331 0.9414 -0.0218 0.0263 0.0535 417 VAL b CB ? ? 1 +32382 C CG1 . VAL V 416 0.5734 0.8330 0.9478 -0.0297 0.0306 0.0518 417 VAL b CG1 ? ? 1 +32383 C CG2 . VAL V 416 0.5816 0.8336 0.9419 -0.0202 0.0289 0.0562 417 VAL b CG2 ? ? 1 +32384 C C . VAL V 416 0.5230 0.8267 0.9308 -0.0257 0.0218 0.0498 417 VAL b C ? ? 1 +32385 O O . VAL V 416 0.5128 0.8224 0.9291 -0.0335 0.0243 0.0480 417 VAL b O ? ? 1 +32386 N N . LYS V 417 0.5167 0.8260 0.9267 -0.0181 0.0168 0.0496 418 LYS b N ? ? 1 +32387 C CA . LYS V 417 0.4996 0.8224 0.9222 -0.0184 0.0142 0.0474 418 LYS b CA ? ? 1 +32388 C CB . LYS V 417 0.4977 0.8241 0.9200 -0.0089 0.0091 0.0476 418 LYS b CB ? ? 1 +32389 C CG . LYS V 417 0.5158 0.8256 0.9239 -0.0035 0.0089 0.0481 418 LYS b CG ? ? 1 +32390 C CD . LYS V 417 0.5095 0.8258 0.9196 0.0062 0.0037 0.0482 418 LYS b CD ? ? 1 +32391 C CE . LYS V 417 0.5279 0.8278 0.9233 0.0127 0.0031 0.0489 418 LYS b CE ? ? 1 +32392 N NZ . LYS V 417 0.5227 0.8305 0.9216 0.0220 -0.0019 0.0486 418 LYS b NZ ? ? 1 +32393 C C . LYS V 417 0.4764 0.8187 0.9158 -0.0230 0.0135 0.0463 418 LYS b C ? ? 1 +32394 O O . LYS V 417 0.4677 0.8190 0.9171 -0.0274 0.0135 0.0442 418 LYS b O ? ? 1 +32395 N N . SER V 418 0.4689 0.8174 0.9110 -0.0214 0.0127 0.0476 419 SER b N ? ? 1 +32396 C CA . SER V 418 0.4556 0.8214 0.9125 -0.0254 0.0122 0.0467 419 SER b CA ? ? 1 +32397 C CB . SER V 418 0.4561 0.8248 0.9120 -0.0222 0.0111 0.0485 419 SER b CB ? ? 1 +32398 O OG . SER V 418 0.4483 0.8355 0.9193 -0.0233 0.0089 0.0476 419 SER b OG ? ? 1 +32399 C C . SER V 418 0.4577 0.8242 0.9192 -0.0350 0.0166 0.0454 419 SER b C ? ? 1 +32400 O O . SER V 418 0.4478 0.8273 0.9221 -0.0388 0.0159 0.0436 419 SER b O ? ? 1 +32401 N N . TYR V 419 0.4661 0.8185 0.9172 -0.0388 0.0213 0.0463 420 TYR b N ? ? 1 +32402 C CA . TYR V 419 0.4652 0.8180 0.9206 -0.0481 0.0259 0.0450 420 TYR b CA ? ? 1 +32403 C CB . TYR V 419 0.4807 0.8185 0.9241 -0.0513 0.0311 0.0466 420 TYR b CB ? ? 1 +32404 C CG . TYR V 419 0.4753 0.8188 0.9205 -0.0499 0.0312 0.0481 420 TYR b CG ? ? 1 +32405 C CD1 . TYR V 419 0.4573 0.8176 0.9172 -0.0535 0.0309 0.0469 420 TYR b CD1 ? ? 1 +32406 C CD2 . TYR V 419 0.4873 0.8194 0.9193 -0.0445 0.0311 0.0506 420 TYR b CD2 ? ? 1 +32407 C CE1 . TYR V 419 0.4534 0.8187 0.9148 -0.0521 0.0309 0.0482 420 TYR b CE1 ? ? 1 +32408 C CE2 . TYR V 419 0.4814 0.8185 0.9147 -0.0430 0.0309 0.0519 420 TYR b CE2 ? ? 1 +32409 C CZ . TYR V 419 0.4651 0.8189 0.9132 -0.0469 0.0309 0.0506 420 TYR b CZ ? ? 1 +32410 O OH . TYR V 419 0.4662 0.8249 0.9156 -0.0456 0.0308 0.0517 420 TYR b OH ? ? 1 +32411 C C . TYR V 419 0.4660 0.8165 0.9231 -0.0519 0.0265 0.0428 420 TYR b C ? ? 1 +32412 O O . TYR V 419 0.4607 0.8201 0.9283 -0.0585 0.0278 0.0407 420 TYR b O ? ? 1 +32413 N N . ALA V 420 0.4751 0.8142 0.9223 -0.0475 0.0252 0.0430 421 ALA b N ? ? 1 +32414 C CA . ALA V 420 0.4755 0.8116 0.9233 -0.0507 0.0256 0.0408 421 ALA b CA ? ? 1 +32415 C CB . ALA V 420 0.4912 0.8112 0.9248 -0.0452 0.0250 0.0416 421 ALA b CB ? ? 1 +32416 C C . ALA V 420 0.4569 0.8110 0.9199 -0.0507 0.0218 0.0388 421 ALA b C ? ? 1 +32417 O O . ALA V 420 0.4562 0.8140 0.9254 -0.0566 0.0228 0.0364 421 ALA b O ? ? 1 +32418 N N . ARG V 421 0.4429 0.8084 0.9118 -0.0443 0.0176 0.0396 422 ARG b N ? ? 1 +32419 C CA . ARG V 421 0.4242 0.8072 0.9074 -0.0441 0.0142 0.0380 422 ARG b CA ? ? 1 +32420 C CB . ARG V 421 0.4170 0.8102 0.9048 -0.0366 0.0100 0.0392 422 ARG b CB ? ? 1 +32421 C CG . ARG V 421 0.4290 0.8168 0.9101 -0.0290 0.0072 0.0397 422 ARG b CG ? ? 1 +32422 C CD . ARG V 421 0.4239 0.8245 0.9122 -0.0225 0.0031 0.0404 422 ARG b CD ? ? 1 +32423 N NE . ARG V 421 0.4402 0.8323 0.9188 -0.0145 0.0012 0.0417 422 ARG b NE ? ? 1 +32424 C CZ . ARG V 421 0.4509 0.8370 0.9222 -0.0108 0.0010 0.0437 422 ARG b CZ ? ? 1 +32425 N NH1 . ARG V 421 0.4485 0.8407 0.9240 -0.0127 0.0013 0.0445 422 ARG b NH1 ? ? 1 +32426 N NH2 . ARG V 421 0.4682 0.8415 0.9272 -0.0047 0.0002 0.0447 422 ARG b NH2 ? ? 1 +32427 C C . ARG V 421 0.4062 0.8012 0.9016 -0.0514 0.0157 0.0367 422 ARG b C ? ? 1 +32428 O O . ARG V 421 0.3952 0.8002 0.9003 -0.0542 0.0144 0.0346 422 ARG b O ? ? 1 +32429 N N . LYS V 422 0.4047 0.7990 0.8995 -0.0538 0.0183 0.0379 423 LYS b N ? ? 1 +32430 C CA . LYS V 422 0.3954 0.8001 0.9010 -0.0607 0.0202 0.0366 423 LYS b CA ? ? 1 +32431 C CB . LYS V 422 0.3964 0.8019 0.9012 -0.0608 0.0221 0.0384 423 LYS b CB ? ? 1 +32432 C CG . LYS V 422 0.3879 0.8004 0.8944 -0.0535 0.0183 0.0401 423 LYS b CG ? ? 1 +32433 C CD . LYS V 422 0.3730 0.8028 0.8933 -0.0522 0.0143 0.0388 423 LYS b CD ? ? 1 +32434 C CE . LYS V 422 0.3715 0.8066 0.8923 -0.0447 0.0104 0.0403 423 LYS b CE ? ? 1 +32435 N NZ . LYS V 422 0.3583 0.8096 0.8921 -0.0437 0.0069 0.0392 423 LYS b NZ ? ? 1 +32436 C C . LYS V 422 0.3986 0.7971 0.9034 -0.0687 0.0241 0.0346 423 LYS b C ? ? 1 +32437 O O . LYS V 422 0.3911 0.8003 0.9071 -0.0742 0.0245 0.0326 423 LYS b O ? ? 1 +32438 N N . ALA V 423 0.4149 0.7960 0.9065 -0.0693 0.0268 0.0351 424 ALA b N ? ? 1 +32439 C CA . ALA V 423 0.4233 0.7965 0.9128 -0.0773 0.0310 0.0333 424 ALA b CA ? ? 1 +32440 C CB . ALA V 423 0.4421 0.7942 0.9145 -0.0767 0.0343 0.0347 424 ALA b CB ? ? 1 +32441 C C . ALA V 423 0.4186 0.7977 0.9154 -0.0804 0.0291 0.0302 424 ALA b C ? ? 1 +32442 O O . ALA V 423 0.4242 0.8038 0.9251 -0.0880 0.0317 0.0280 424 ALA b O ? ? 1 +32443 N N . ILE V 424 0.4082 0.7925 0.9069 -0.0745 0.0245 0.0301 425 ILE b N ? ? 1 +32444 C CA . ILE V 424 0.3991 0.7895 0.9044 -0.0767 0.0223 0.0273 425 ILE b CA ? ? 1 +32445 C CB . ILE V 424 0.3965 0.7887 0.9002 -0.0689 0.0178 0.0276 425 ILE b CB ? ? 1 +32446 C CG1 . ILE V 424 0.3804 0.7882 0.8937 -0.0641 0.0143 0.0286 425 ILE b CG1 ? ? 1 +32447 C CG2 . ILE V 424 0.4122 0.7880 0.9008 -0.0633 0.0184 0.0295 425 ILE b CG2 ? ? 1 +32448 C CD1 . ILE V 424 0.3781 0.7890 0.8912 -0.0573 0.0103 0.0286 425 ILE b CD1 ? ? 1 +32449 C C . ILE V 424 0.3793 0.7868 0.9001 -0.0816 0.0215 0.0253 425 ILE b C ? ? 1 +32450 O O . ILE V 424 0.3799 0.7916 0.9063 -0.0858 0.0207 0.0226 425 ILE b O ? ? 1 +32451 N N . PHE V 425 0.3652 0.7823 0.8924 -0.0808 0.0215 0.0267 426 PHE b N ? ? 1 +32452 C CA . PHE V 425 0.3485 0.7814 0.8900 -0.0850 0.0209 0.0251 426 PHE b CA ? ? 1 +32453 C CB . PHE V 425 0.3352 0.7796 0.8830 -0.0804 0.0188 0.0270 426 PHE b CB ? ? 1 +32454 C CG . PHE V 425 0.3297 0.7770 0.8761 -0.0723 0.0145 0.0284 426 PHE b CG ? ? 1 +32455 C CD1 . PHE V 425 0.3268 0.7763 0.8746 -0.0704 0.0115 0.0270 426 PHE b CD1 ? ? 1 +32456 C CD2 . PHE V 425 0.3271 0.7758 0.8716 -0.0669 0.0135 0.0309 426 PHE b CD2 ? ? 1 +32457 C CE1 . PHE V 425 0.3219 0.7746 0.8691 -0.0632 0.0080 0.0282 426 PHE b CE1 ? ? 1 +32458 C CE2 . PHE V 425 0.3193 0.7716 0.8635 -0.0598 0.0097 0.0319 426 PHE b CE2 ? ? 1 +32459 C CZ . PHE V 425 0.3179 0.7722 0.8636 -0.0580 0.0072 0.0306 426 PHE b CZ ? ? 1 +32460 C C . PHE V 425 0.3516 0.7826 0.8953 -0.0931 0.0256 0.0239 426 PHE b C ? ? 1 +32461 O O . PHE V 425 0.3419 0.7856 0.8974 -0.0969 0.0256 0.0224 426 PHE b O ? ? 1 +32462 N N . GLY V 426 0.3654 0.7805 0.8976 -0.0956 0.0298 0.0245 427 GLY b N ? ? 1 +32463 C CA . GLY V 426 0.3706 0.7827 0.9040 -0.1034 0.0349 0.0235 427 GLY b CA ? ? 1 +32464 C C . GLY V 426 0.3734 0.7816 0.9019 -0.1020 0.0381 0.0263 427 GLY b C ? ? 1 +32465 O O . GLY V 426 0.3836 0.7820 0.9011 -0.0962 0.0377 0.0290 427 GLY b O ? ? 1 +32466 N N . GLU V 427 0.3666 0.7822 0.9032 -0.1073 0.0411 0.0255 428 GLU b N ? ? 1 +32467 C CA . GLU V 427 0.3689 0.7803 0.9005 -0.1067 0.0447 0.0279 428 GLU b CA ? ? 1 +32468 C CB . GLU V 427 0.3643 0.7825 0.9049 -0.1144 0.0491 0.0263 428 GLU b CB ? ? 1 +32469 C CG . GLU V 427 0.3769 0.7837 0.9125 -0.1221 0.0544 0.0247 428 GLU b CG ? ? 1 +32470 C CD . GLU V 427 0.3927 0.7792 0.9108 -0.1212 0.0586 0.0273 428 GLU b CD ? ? 1 +32471 O OE1 . GLU V 427 0.3936 0.7770 0.9057 -0.1168 0.0593 0.0301 428 GLU b OE1 ? ? 1 +32472 O OE2 . GLU V 427 0.4068 0.7799 0.9167 -0.1248 0.0612 0.0265 428 GLU b OE2 ? ? 1 +32473 C C . GLU V 427 0.3591 0.7786 0.8928 -0.0991 0.0406 0.0301 428 GLU b C ? ? 1 +32474 O O . GLU V 427 0.3446 0.7783 0.8890 -0.0969 0.0363 0.0292 428 GLU b O ? ? 1 +32475 N N . ILE V 428 0.3696 0.7797 0.8928 -0.0954 0.0423 0.0330 429 ILE b N ? ? 1 +32476 C CA . ILE V 428 0.3659 0.7804 0.8880 -0.0875 0.0384 0.0352 429 ILE b CA ? ? 1 +32477 C CB . ILE V 428 0.3763 0.7741 0.8819 -0.0819 0.0384 0.0378 429 ILE b CB ? ? 1 +32478 C CG1 . ILE V 428 0.3815 0.7707 0.8811 -0.0808 0.0369 0.0370 429 ILE b CG1 ? ? 1 +32479 C CG2 . ILE V 428 0.3706 0.7734 0.8756 -0.0739 0.0343 0.0399 429 ILE b CG2 ? ? 1 +32480 C CD1 . ILE V 428 0.3983 0.7684 0.8804 -0.0765 0.0380 0.0392 429 ILE b CD1 ? ? 1 +32481 C C . ILE V 428 0.3666 0.7900 0.8950 -0.0882 0.0398 0.0359 429 ILE b C ? ? 1 +32482 O O . ILE V 428 0.3787 0.7958 0.9030 -0.0924 0.0449 0.0363 429 ILE b O ? ? 1 +32483 N N . PHE V 429 0.3585 0.7961 0.8964 -0.0842 0.0353 0.0359 430 PHE b N ? ? 1 +32484 C CA . PHE V 429 0.3588 0.8067 0.9042 -0.0847 0.0360 0.0362 430 PHE b CA ? ? 1 +32485 C CB . PHE V 429 0.3394 0.8040 0.9011 -0.0885 0.0346 0.0336 430 PHE b CB ? ? 1 +32486 C CG . PHE V 429 0.3415 0.8050 0.9068 -0.0967 0.0392 0.0313 430 PHE b CG ? ? 1 +32487 C CD1 . PHE V 429 0.3459 0.8044 0.9099 -0.1001 0.0395 0.0296 430 PHE b CD1 ? ? 1 +32488 C CD2 . PHE V 429 0.3409 0.8079 0.9105 -0.1012 0.0435 0.0309 430 PHE b CD2 ? ? 1 +32489 C CE1 . PHE V 429 0.3489 0.8063 0.9164 -0.1079 0.0437 0.0273 430 PHE b CE1 ? ? 1 +32490 C CE2 . PHE V 429 0.3441 0.8104 0.9175 -0.1089 0.0480 0.0287 430 PHE b CE2 ? ? 1 +32491 C CZ . PHE V 429 0.3474 0.8089 0.9197 -0.1123 0.0480 0.0269 430 PHE b CZ ? ? 1 +32492 C C . PHE V 429 0.3722 0.8228 0.9153 -0.0771 0.0322 0.0384 430 PHE b C ? ? 1 +32493 O O . PHE V 429 0.3699 0.8203 0.9108 -0.0716 0.0279 0.0390 430 PHE b O ? ? 1 +32494 N N . GLU V 430 0.3924 0.8452 0.9358 -0.0770 0.0340 0.0394 431 GLU b N ? ? 1 +32495 C CA . GLU V 430 0.4071 0.8655 0.9512 -0.0709 0.0304 0.0409 431 GLU b CA ? ? 1 +32496 C CB . GLU V 430 0.4554 0.9076 0.9923 -0.0707 0.0337 0.0425 431 GLU b CB ? ? 1 +32497 C CG . GLU V 430 0.4943 0.9518 1.0315 -0.0646 0.0300 0.0438 431 GLU b CG ? ? 1 +32498 C CD . GLU V 430 0.5752 1.0254 1.1029 -0.0575 0.0260 0.0455 431 GLU b CD ? ? 1 +32499 O OE1 . GLU V 430 0.6310 1.0684 1.1484 -0.0569 0.0272 0.0462 431 GLU b OE1 ? ? 1 +32500 O OE2 . GLU V 430 0.6474 1.1048 1.1783 -0.0524 0.0217 0.0460 431 GLU b OE2 ? ? 1 +32501 C C . GLU V 430 0.3764 0.8526 0.9361 -0.0715 0.0275 0.0392 431 GLU b C ? ? 1 +32502 O O . GLU V 430 0.3756 0.8588 0.9438 -0.0769 0.0300 0.0376 431 GLU b O ? ? 1 +32503 N N . PHE V 431 0.3492 0.8324 0.9124 -0.0660 0.0223 0.0397 432 PHE b N ? ? 1 +32504 C CA . PHE V 431 0.3238 0.8228 0.9004 -0.0658 0.0192 0.0384 432 PHE b CA ? ? 1 +32505 C CB . PHE V 431 0.3110 0.8142 0.8919 -0.0645 0.0156 0.0374 432 PHE b CB ? ? 1 +32506 C CG . PHE V 431 0.3078 0.8089 0.8904 -0.0697 0.0175 0.0355 432 PHE b CG ? ? 1 +32507 C CD1 . PHE V 431 0.2971 0.8089 0.8911 -0.0742 0.0177 0.0333 432 PHE b CD1 ? ? 1 +32508 C CD2 . PHE V 431 0.3162 0.8043 0.8886 -0.0700 0.0189 0.0357 432 PHE b CD2 ? ? 1 +32509 C CE1 . PHE V 431 0.2988 0.8089 0.8946 -0.0791 0.0191 0.0313 432 PHE b CE1 ? ? 1 +32510 C CE2 . PHE V 431 0.3208 0.8066 0.8946 -0.0751 0.0206 0.0338 432 PHE b CE2 ? ? 1 +32511 C CZ . PHE V 431 0.3121 0.8091 0.8978 -0.0797 0.0207 0.0315 432 PHE b CZ ? ? 1 +32512 C C . PHE V 431 0.3142 0.8190 0.8924 -0.0607 0.0161 0.0397 432 PHE b C ? ? 1 +32513 O O . PHE V 431 0.3148 0.8135 0.8851 -0.0555 0.0140 0.0412 432 PHE b O ? ? 1 +32514 N N . ASP V 432 0.3003 0.8168 0.8886 -0.0621 0.0158 0.0389 433 ASP b N ? ? 1 +32515 C CA . ASP V 432 0.2937 0.8178 0.8858 -0.0577 0.0124 0.0396 433 ASP b CA ? ? 1 +32516 C CB . ASP V 432 0.2888 0.8204 0.8876 -0.0601 0.0142 0.0391 433 ASP b CB ? ? 1 +32517 C CG . ASP V 432 0.2805 0.8220 0.8857 -0.0565 0.0105 0.0393 433 ASP b CG ? ? 1 +32518 O OD1 . ASP V 432 0.2848 0.8276 0.8893 -0.0520 0.0065 0.0400 433 ASP b OD1 ? ? 1 +32519 O OD2 . ASP V 432 0.2710 0.8191 0.8821 -0.0581 0.0116 0.0388 433 ASP b OD2 ? ? 1 +32520 C C . ASP V 432 0.2900 0.8232 0.8898 -0.0555 0.0080 0.0389 433 ASP b C ? ? 1 +32521 O O . ASP V 432 0.2849 0.8266 0.8940 -0.0585 0.0077 0.0373 433 ASP b O ? ? 1 +32522 N N . THR V 433 0.2950 0.8258 0.8905 -0.0502 0.0047 0.0399 434 THR b N ? ? 1 +32523 C CA . THR V 433 0.2870 0.8261 0.8891 -0.0477 0.0007 0.0394 434 THR b CA ? ? 1 +32524 C CB . THR V 433 0.2916 0.8239 0.8869 -0.0439 -0.0011 0.0399 434 THR b CB ? ? 1 +32525 O OG1 . THR V 433 0.3013 0.8269 0.8883 -0.0395 -0.0019 0.0415 434 THR b OG1 ? ? 1 +32526 C CG2 . THR V 433 0.3008 0.8241 0.8906 -0.0469 0.0014 0.0394 434 THR b CG2 ? ? 1 +32527 C C . THR V 433 0.2834 0.8317 0.8914 -0.0445 -0.0022 0.0398 434 THR b C ? ? 1 +32528 O O . THR V 433 0.2681 0.8244 0.8828 -0.0430 -0.0050 0.0393 434 THR b O ? ? 1 +32529 N N . GLU V 434 0.3038 0.8507 0.9092 -0.0437 -0.0014 0.0406 435 GLU b N ? ? 1 +32530 C CA . GLU V 434 0.3190 0.8734 0.9289 -0.0407 -0.0042 0.0409 435 GLU b CA ? ? 1 +32531 C CB . GLU V 434 0.3722 0.9202 0.9742 -0.0384 -0.0037 0.0421 435 GLU b CB ? ? 1 +32532 C CG . GLU V 434 0.4311 0.9695 1.0226 -0.0341 -0.0051 0.0432 435 GLU b CG ? ? 1 +32533 C CD . GLU V 434 0.5041 1.0466 1.0984 -0.0300 -0.0091 0.0431 435 GLU b CD ? ? 1 +32534 O OE1 . GLU V 434 0.5486 1.0910 1.1443 -0.0307 -0.0092 0.0426 435 GLU b OE1 ? ? 1 +32535 O OE2 . GLU V 434 0.5829 1.1290 1.1780 -0.0261 -0.0123 0.0433 435 GLU b OE2 ? ? 1 +32536 C C . GLU V 434 0.2897 0.8551 0.9103 -0.0433 -0.0041 0.0399 435 GLU b C ? ? 1 +32537 O O . GLU V 434 0.2817 0.8555 0.9091 -0.0416 -0.0070 0.0396 435 GLU b O ? ? 1 +32538 N N . THR V 435 0.2719 0.8370 0.8938 -0.0475 -0.0007 0.0393 436 THR b N ? ? 1 +32539 C CA . THR V 435 0.2471 0.8220 0.8785 -0.0496 -0.0004 0.0384 436 THR b CA ? ? 1 +32540 C CB . THR V 435 0.2545 0.8280 0.8868 -0.0545 0.0039 0.0375 436 THR b CB ? ? 1 +32541 O OG1 . THR V 435 0.2607 0.8253 0.8842 -0.0543 0.0067 0.0385 436 THR b OG1 ? ? 1 +32542 C CG2 . THR V 435 0.2438 0.8277 0.8864 -0.0566 0.0042 0.0363 436 THR b CG2 ? ? 1 +32543 C C . THR V 435 0.2246 0.8090 0.8651 -0.0494 -0.0032 0.0375 436 THR b C ? ? 1 +32544 O O . THR V 435 0.2202 0.8120 0.8665 -0.0480 -0.0052 0.0374 436 THR b O ? ? 1 +32545 N N . LEU V 436 0.2173 0.8007 0.8584 -0.0510 -0.0033 0.0367 437 LEU b N ? ? 1 +32546 C CA . LEU V 436 0.2032 0.7946 0.8517 -0.0508 -0.0058 0.0359 437 LEU b CA ? ? 1 +32547 C CB . LEU V 436 0.2030 0.7949 0.8543 -0.0549 -0.0043 0.0344 437 LEU b CB ? ? 1 +32548 C CG . LEU V 436 0.2030 0.7971 0.8581 -0.0591 -0.0013 0.0333 437 LEU b CG ? ? 1 +32549 C CD1 . LEU V 436 0.2039 0.7992 0.8623 -0.0629 -0.0005 0.0316 437 LEU b CD1 ? ? 1 +32550 C CD2 . LEU V 436 0.1944 0.7976 0.8570 -0.0586 -0.0022 0.0331 437 LEU b CD2 ? ? 1 +32551 C C . LEU V 436 0.2020 0.7924 0.8482 -0.0470 -0.0087 0.0365 437 LEU b C ? ? 1 +32552 O O . LEU V 436 0.1970 0.7922 0.8477 -0.0469 -0.0104 0.0359 437 LEU b O ? ? 1 +32553 N N . ASN V 437 0.2089 0.7929 0.8479 -0.0439 -0.0092 0.0377 438 ASN b N ? ? 1 +32554 C CA . ASN V 437 0.2166 0.7983 0.8523 -0.0402 -0.0115 0.0382 438 ASN b CA ? ? 1 +32555 C CB . ASN V 437 0.2181 0.8081 0.8597 -0.0373 -0.0145 0.0384 438 ASN b CB ? ? 1 +32556 C CG . ASN V 437 0.2332 0.8206 0.8710 -0.0330 -0.0166 0.0390 438 ASN b CG ? ? 1 +32557 O OD1 . ASN V 437 0.2508 0.8300 0.8806 -0.0310 -0.0162 0.0396 438 ASN b OD1 ? ? 1 +32558 N ND2 . ASN V 437 0.2340 0.8281 0.8773 -0.0314 -0.0186 0.0387 438 ASN b ND2 ? ? 1 +32559 C C . ASN V 437 0.2140 0.7935 0.8492 -0.0417 -0.0111 0.0374 438 ASN b C ? ? 1 +32560 O O . ASN V 437 0.2106 0.7952 0.8500 -0.0406 -0.0131 0.0370 438 ASN b O ? ? 1 +32561 N N . SER V 438 0.2138 0.7852 0.8433 -0.0443 -0.0085 0.0371 439 SER b N ? ? 1 +32562 C CA . SER V 438 0.2110 0.7795 0.8395 -0.0464 -0.0079 0.0361 439 SER b CA ? ? 1 +32563 C CB . SER V 438 0.2212 0.7822 0.8453 -0.0507 -0.0043 0.0356 439 SER b CB ? ? 1 +32564 O OG . SER V 438 0.2211 0.7870 0.8505 -0.0541 -0.0025 0.0351 439 SER b OG ? ? 1 +32565 C C . SER V 438 0.2081 0.7717 0.8311 -0.0424 -0.0096 0.0366 439 SER b C ? ? 1 +32566 O O . SER V 438 0.2138 0.7723 0.8309 -0.0388 -0.0101 0.0378 439 SER b O ? ? 1 +32567 N N . ASP V 439 0.1987 0.7639 0.8237 -0.0427 -0.0106 0.0356 440 ASP b N ? ? 1 +32568 C CA . ASP V 439 0.1952 0.7573 0.8162 -0.0387 -0.0123 0.0359 440 ASP b CA ? ? 1 +32569 C CB . ASP V 439 0.1852 0.7559 0.8131 -0.0379 -0.0144 0.0352 440 ASP b CB ? ? 1 +32570 C CG . ASP V 439 0.1824 0.7562 0.8146 -0.0421 -0.0139 0.0336 440 ASP b CG ? ? 1 +32571 O OD1 . ASP V 439 0.1937 0.7615 0.8225 -0.0456 -0.0120 0.0327 440 ASP b OD1 ? ? 1 +32572 O OD2 . ASP V 439 0.1703 0.7525 0.8090 -0.0420 -0.0156 0.0332 440 ASP b OD2 ? ? 1 +32573 C C . ASP V 439 0.2024 0.7534 0.8148 -0.0391 -0.0109 0.0356 440 ASP b C ? ? 1 +32574 O O . ASP V 439 0.2065 0.7541 0.8150 -0.0356 -0.0120 0.0358 440 ASP b O ? ? 1 +32575 N N . GLY V 440 0.2020 0.7475 0.8118 -0.0436 -0.0082 0.0350 441 GLY b N ? ? 1 +32576 C CA . GLY V 440 0.2091 0.7427 0.8098 -0.0444 -0.0064 0.0348 441 GLY b CA ? ? 1 +32577 C C . GLY V 440 0.2055 0.7384 0.8070 -0.0465 -0.0067 0.0331 441 GLY b C ? ? 1 +32578 O O . GLY V 440 0.2136 0.7364 0.8074 -0.0468 -0.0055 0.0328 441 GLY b O ? ? 1 +32579 N N . ILE V 441 0.1934 0.7366 0.8038 -0.0481 -0.0082 0.0319 442 ILE b N ? ? 1 +32580 C CA . ILE V 441 0.1926 0.7358 0.8039 -0.0498 -0.0089 0.0302 442 ILE b CA ? ? 1 +32581 C CB . ILE V 441 0.1856 0.7361 0.8009 -0.0460 -0.0118 0.0302 442 ILE b CB ? ? 1 +32582 C CG1 . ILE V 441 0.1891 0.7368 0.7997 -0.0398 -0.0128 0.0319 442 ILE b CG1 ? ? 1 +32583 C CG2 . ILE V 441 0.1882 0.7373 0.8028 -0.0474 -0.0124 0.0284 442 ILE b CG2 ? ? 1 +32584 C CD1 . ILE V 441 0.1814 0.7370 0.7967 -0.0360 -0.0151 0.0321 442 ILE b CD1 ? ? 1 +32585 C C . ILE V 441 0.1882 0.7358 0.8056 -0.0557 -0.0079 0.0283 442 ILE b C ? ? 1 +32586 O O . ILE V 441 0.1787 0.7354 0.8037 -0.0570 -0.0084 0.0283 442 ILE b O ? ? 1 +32587 N N . PHE V 442 0.1949 0.7360 0.8087 -0.0593 -0.0067 0.0267 443 PHE b N ? ? 1 +32588 C CA . PHE V 442 0.1933 0.7373 0.8122 -0.0653 -0.0054 0.0247 443 PHE b CA ? ? 1 +32589 C CB . PHE V 442 0.2036 0.7378 0.8165 -0.0688 -0.0038 0.0231 443 PHE b CB ? ? 1 +32590 C CG . PHE V 442 0.2154 0.7367 0.8183 -0.0689 -0.0008 0.0243 443 PHE b CG ? ? 1 +32591 C CD1 . PHE V 442 0.2179 0.7374 0.8203 -0.0710 0.0021 0.0253 443 PHE b CD1 ? ? 1 +32592 C CD2 . PHE V 442 0.2256 0.7358 0.8189 -0.0668 -0.0006 0.0244 443 PHE b CD2 ? ? 1 +32593 C CE1 . PHE V 442 0.2303 0.7368 0.8224 -0.0711 0.0051 0.0265 443 PHE b CE1 ? ? 1 +32594 C CE2 . PHE V 442 0.2377 0.7351 0.8210 -0.0667 0.0022 0.0256 443 PHE b CE2 ? ? 1 +32595 C CZ . PHE V 442 0.2403 0.7356 0.8228 -0.0689 0.0050 0.0267 443 PHE b CZ ? ? 1 +32596 C C . PHE V 442 0.1829 0.7389 0.8115 -0.0662 -0.0080 0.0233 443 PHE b C ? ? 1 +32597 O O . PHE V 442 0.1832 0.7418 0.8122 -0.0633 -0.0105 0.0231 443 PHE b O ? ? 1 +32598 N N . ARG V 443 0.1762 0.7391 0.8121 -0.0698 -0.0072 0.0224 444 ARG b N ? ? 1 +32599 C CA . ARG V 443 0.1663 0.7402 0.8114 -0.0711 -0.0096 0.0208 444 ARG b CA ? ? 1 +32600 C CB . ARG V 443 0.1578 0.7406 0.8094 -0.0695 -0.0100 0.0221 444 ARG b CB ? ? 1 +32601 C CG . ARG V 443 0.1534 0.7375 0.8032 -0.0637 -0.0119 0.0243 444 ARG b CG ? ? 1 +32602 C CD . ARG V 443 0.1481 0.7372 0.8014 -0.0621 -0.0115 0.0259 444 ARG b CD ? ? 1 +32603 N NE . ARG V 443 0.1434 0.7357 0.7968 -0.0572 -0.0136 0.0275 444 ARG b NE ? ? 1 +32604 C CZ . ARG V 443 0.1456 0.7326 0.7931 -0.0534 -0.0138 0.0290 444 ARG b CZ ? ? 1 +32605 N NH1 . ARG V 443 0.1551 0.7322 0.7947 -0.0534 -0.0122 0.0292 444 ARG b NH1 ? ? 1 +32606 N NH2 . ARG V 443 0.1403 0.7319 0.7898 -0.0495 -0.0155 0.0303 444 ARG b NH2 ? ? 1 +32607 C C . ARG V 443 0.1672 0.7418 0.8159 -0.0770 -0.0085 0.0181 444 ARG b C ? ? 1 +32608 O O . ARG V 443 0.1749 0.7429 0.8203 -0.0806 -0.0054 0.0177 444 ARG b O ? ? 1 +32609 N N . THR V 444 0.1595 0.7420 0.8147 -0.0781 -0.0112 0.0161 445 THR b N ? ? 1 +32610 C CA . THR V 444 0.1604 0.7452 0.8202 -0.0837 -0.0109 0.0131 445 THR b CA ? ? 1 +32611 C CB . THR V 444 0.1588 0.7479 0.8212 -0.0836 -0.0146 0.0109 445 THR b CB ? ? 1 +32612 O OG1 . THR V 444 0.1637 0.7526 0.8288 -0.0894 -0.0141 0.0077 445 THR b OG1 ? ? 1 +32613 C CG2 . THR V 444 0.1484 0.7491 0.8186 -0.0811 -0.0177 0.0110 445 THR b CG2 ? ? 1 +32614 C C . THR V 444 0.1529 0.7464 0.8215 -0.0862 -0.0097 0.0126 445 THR b C ? ? 1 +32615 O O . THR V 444 0.1463 0.7450 0.8179 -0.0832 -0.0100 0.0144 445 THR b O ? ? 1 +32616 N N . SER V 445 0.1540 0.7491 0.8271 -0.0917 -0.0084 0.0099 446 SER b N ? ? 1 +32617 C CA . SER V 445 0.1472 0.7508 0.8293 -0.0946 -0.0070 0.0088 446 SER b CA ? ? 1 +32618 C CB . SER V 445 0.1556 0.7549 0.8379 -0.1010 -0.0032 0.0068 446 SER b CB ? ? 1 +32619 O OG . SER V 445 0.1593 0.7588 0.8431 -0.1041 -0.0051 0.0038 446 SER b OG ? ? 1 +32620 C C . SER V 445 0.1372 0.7529 0.8288 -0.0943 -0.0108 0.0068 446 SER b C ? ? 1 +32621 O O . SER V 445 0.1356 0.7524 0.8264 -0.0924 -0.0144 0.0060 446 SER b O ? ? 1 +32622 N N . PRO V 446 0.1306 0.7556 0.8314 -0.0959 -0.0102 0.0059 447 PRO b N ? ? 1 +32623 C CA . PRO V 446 0.1239 0.7602 0.8341 -0.0964 -0.0138 0.0033 447 PRO b CA ? ? 1 +32624 C CB . PRO V 446 0.1207 0.7645 0.8393 -0.0986 -0.0113 0.0026 447 PRO b CB ? ? 1 +32625 C CG . PRO V 446 0.1210 0.7590 0.8339 -0.0964 -0.0079 0.0060 447 PRO b CG ? ? 1 +32626 C CD . PRO V 446 0.1299 0.7551 0.8322 -0.0970 -0.0062 0.0071 447 PRO b CD ? ? 1 +32627 C C . PRO V 446 0.1270 0.7633 0.8386 -0.1001 -0.0158 -0.0002 447 PRO b C ? ? 1 +32628 O O . PRO V 446 0.1230 0.7655 0.8382 -0.0986 -0.0201 -0.0017 447 PRO b O ? ? 1 +32629 N N . ARG V 447 0.1345 0.7630 0.8424 -0.1048 -0.0127 -0.0014 448 ARG b N ? ? 1 +32630 C CA . ARG V 447 0.1395 0.7669 0.8479 -0.1085 -0.0144 -0.0048 448 ARG b CA ? ? 1 +32631 C CB . ARG V 447 0.1497 0.7675 0.8537 -0.1142 -0.0100 -0.0058 448 ARG b CB ? ? 1 +32632 C CG . ARG V 447 0.1560 0.7738 0.8624 -0.1193 -0.0114 -0.0099 448 ARG b CG ? ? 1 +32633 C CD . ARG V 447 0.1667 0.7739 0.8678 -0.1248 -0.0066 -0.0106 448 ARG b CD ? ? 1 +32634 N NE . ARG V 447 0.1666 0.7773 0.8740 -0.1291 -0.0019 -0.0111 448 ARG b NE ? ? 1 +32635 C CZ . ARG V 447 0.1659 0.7855 0.8841 -0.1345 -0.0015 -0.0147 448 ARG b CZ ? ? 1 +32636 N NH1 . ARG V 447 0.1634 0.7911 0.8885 -0.1358 -0.0060 -0.0183 448 ARG b NH1 ? ? 1 +32637 N NH2 . ARG V 447 0.1676 0.7882 0.8897 -0.1386 0.0037 -0.0149 448 ARG b NH2 ? ? 1 +32638 C C . ARG V 447 0.1395 0.7625 0.8409 -0.1045 -0.0183 -0.0042 448 ARG b C ? ? 1 +32639 O O . ARG V 447 0.1386 0.7659 0.8428 -0.1048 -0.0222 -0.0067 448 ARG b O ? ? 1 +32640 N N . GLY V 448 0.1406 0.7547 0.8325 -0.1007 -0.0170 -0.0009 449 GLY b N ? ? 1 +32641 C CA . GLY V 448 0.1402 0.7504 0.8254 -0.0962 -0.0201 0.0002 449 GLY b CA ? ? 1 +32642 C C . GLY V 448 0.1311 0.7508 0.8212 -0.0921 -0.0243 0.0004 449 GLY b C ? ? 1 +32643 O O . GLY V 448 0.1316 0.7528 0.8214 -0.0915 -0.0279 -0.0014 449 GLY b O ? ? 1 +32644 N N . TRP V 449 0.1235 0.7491 0.8176 -0.0894 -0.0239 0.0025 450 TRP b N ? ? 1 +32645 C CA . TRP V 449 0.1162 0.7500 0.8143 -0.0853 -0.0275 0.0032 450 TRP b CA ? ? 1 +32646 C CB . TRP V 449 0.1090 0.7470 0.8100 -0.0825 -0.0260 0.0059 450 TRP b CB ? ? 1 +32647 C CG . TRP V 449 0.1092 0.7400 0.8024 -0.0788 -0.0244 0.0093 450 TRP b CG ? ? 1 +32648 C CD1 . TRP V 449 0.1102 0.7362 0.8005 -0.0789 -0.0209 0.0113 450 TRP b CD1 ? ? 1 +32649 N NE1 . TRP V 449 0.1101 0.7307 0.7935 -0.0747 -0.0209 0.0138 450 TRP b NE1 ? ? 1 +32650 C CE2 . TRP V 449 0.1090 0.7306 0.7908 -0.0721 -0.0241 0.0136 450 TRP b CE2 ? ? 1 +32651 C CZ2 . TRP V 449 0.1086 0.7265 0.7846 -0.0677 -0.0250 0.0155 450 TRP b CZ2 ? ? 1 +32652 C CH2 . TRP V 449 0.1083 0.7281 0.7836 -0.0660 -0.0280 0.0147 450 TRP b CH2 ? ? 1 +32653 C CZ3 . TRP V 449 0.1085 0.7335 0.7883 -0.0681 -0.0305 0.0121 450 TRP b CZ3 ? ? 1 +32654 C CE3 . TRP V 449 0.1082 0.7374 0.7944 -0.0724 -0.0299 0.0100 450 TRP b CE3 ? ? 1 +32655 C CD2 . TRP V 449 0.1084 0.7360 0.7958 -0.0745 -0.0264 0.0108 450 TRP b CD2 ? ? 1 +32656 C C . TRP V 449 0.1150 0.7578 0.8210 -0.0872 -0.0308 -0.0002 450 TRP b C ? ? 1 +32657 O O . TRP V 449 0.1135 0.7590 0.8190 -0.0845 -0.0347 -0.0007 450 TRP b O ? ? 1 +32658 N N . PHE V 450 0.1159 0.7635 0.8294 -0.0919 -0.0293 -0.0025 451 PHE b N ? ? 1 +32659 C CA . PHE V 450 0.1150 0.7721 0.8370 -0.0938 -0.0326 -0.0060 451 PHE b CA ? ? 1 +32660 C CB . PHE V 450 0.1170 0.7788 0.8474 -0.0995 -0.0299 -0.0086 451 PHE b CB ? ? 1 +32661 C CG . PHE V 450 0.1161 0.7885 0.8559 -0.1012 -0.0337 -0.0125 451 PHE b CG ? ? 1 +32662 C CD1 . PHE V 450 0.1225 0.7938 0.8620 -0.1041 -0.0363 -0.0158 451 PHE b CD1 ? ? 1 +32663 C CD2 . PHE V 450 0.1093 0.7926 0.8581 -0.0993 -0.0351 -0.0128 451 PHE b CD2 ? ? 1 +32664 C CE1 . PHE V 450 0.1219 0.8034 0.8702 -0.1053 -0.0404 -0.0196 451 PHE b CE1 ? ? 1 +32665 C CE2 . PHE V 450 0.1087 0.8021 0.8662 -0.1002 -0.0391 -0.0164 451 PHE b CE2 ? ? 1 +32666 C CZ . PHE V 450 0.1147 0.8073 0.8721 -0.1032 -0.0418 -0.0198 451 PHE b CZ ? ? 1 +32667 C C . PHE V 450 0.1211 0.7748 0.8391 -0.0945 -0.0360 -0.0084 451 PHE b C ? ? 1 +32668 O O . PHE V 450 0.1195 0.7789 0.8399 -0.0924 -0.0405 -0.0097 451 PHE b O ? ? 1 +32669 N N . THR V 451 0.1294 0.7734 0.8408 -0.0976 -0.0338 -0.0089 452 THR b N ? ? 1 +32670 C CA . THR V 451 0.1370 0.7767 0.8442 -0.0991 -0.0364 -0.0115 452 THR b CA ? ? 1 +32671 C CB . THR V 451 0.1463 0.7747 0.8468 -0.1030 -0.0326 -0.0118 452 THR b CB ? ? 1 +32672 O OG1 . THR V 451 0.1477 0.7787 0.8548 -0.1084 -0.0292 -0.0133 452 THR b OG1 ? ? 1 +32673 C CG2 . THR V 451 0.1550 0.7774 0.8501 -0.1048 -0.0350 -0.0145 452 THR b CG2 ? ? 1 +32674 C C . THR V 451 0.1368 0.7742 0.8373 -0.0935 -0.0398 -0.0099 452 THR b C ? ? 1 +32675 O O . THR V 451 0.1380 0.7789 0.8395 -0.0928 -0.0442 -0.0122 452 THR b O ? ? 1 +32676 N N . PHE V 452 0.1358 0.7672 0.8295 -0.0895 -0.0378 -0.0062 453 PHE b N ? ? 1 +32677 C CA . PHE V 452 0.1356 0.7644 0.8228 -0.0842 -0.0402 -0.0044 453 PHE b CA ? ? 1 +32678 C CB . PHE V 452 0.1335 0.7577 0.8157 -0.0804 -0.0373 -0.0003 453 PHE b CB ? ? 1 +32679 C CG . PHE V 452 0.1320 0.7551 0.8090 -0.0749 -0.0393 0.0017 453 PHE b CG ? ? 1 +32680 C CD1 . PHE V 452 0.1388 0.7557 0.8084 -0.0737 -0.0409 0.0009 453 PHE b CD1 ? ? 1 +32681 C CD2 . PHE V 452 0.1251 0.7532 0.8045 -0.0711 -0.0394 0.0044 453 PHE b CD2 ? ? 1 +32682 C CE1 . PHE V 452 0.1376 0.7535 0.8023 -0.0687 -0.0421 0.0028 453 PHE b CE1 ? ? 1 +32683 C CE2 . PHE V 452 0.1242 0.7509 0.7987 -0.0663 -0.0407 0.0064 453 PHE b CE2 ? ? 1 +32684 C CZ . PHE V 452 0.1301 0.7509 0.7974 -0.0651 -0.0419 0.0055 453 PHE b CZ ? ? 1 +32685 C C . PHE V 452 0.1299 0.7684 0.8226 -0.0814 -0.0443 -0.0049 453 PHE b C ? ? 1 +32686 O O . PHE V 452 0.1324 0.7711 0.8225 -0.0800 -0.0480 -0.0064 453 PHE b O ? ? 1 +32687 N N . ALA V 453 0.1235 0.7695 0.8232 -0.0806 -0.0437 -0.0037 454 ALA b N ? ? 1 +32688 C CA . ALA V 453 0.1192 0.7735 0.8232 -0.0772 -0.0473 -0.0036 454 ALA b CA ? ? 1 +32689 C CB . ALA V 453 0.1122 0.7734 0.8235 -0.0765 -0.0456 -0.0021 454 ALA b CB ? ? 1 +32690 C C . ALA V 453 0.1230 0.7828 0.8314 -0.0791 -0.0516 -0.0076 454 ALA b C ? ? 1 +32691 O O . ALA V 453 0.1230 0.7846 0.8294 -0.0759 -0.0555 -0.0080 454 ALA b O ? ? 1 +32692 N N . HIS V 454 0.1265 0.7888 0.8408 -0.0844 -0.0507 -0.0107 455 HIS b N ? ? 1 +32693 C CA . HIS V 454 0.1301 0.7989 0.8501 -0.0866 -0.0549 -0.0149 455 HIS b CA ? ? 1 +32694 C CB . HIS V 454 0.1318 0.8061 0.8613 -0.0924 -0.0528 -0.0176 455 HIS b CB ? ? 1 +32695 C CG . HIS V 454 0.1251 0.8083 0.8630 -0.0909 -0.0518 -0.0164 455 HIS b CG ? ? 1 +32696 N ND1 . HIS V 454 0.1222 0.8028 0.8592 -0.0903 -0.0472 -0.0131 455 HIS b ND1 ? ? 1 +32697 C CE1 . HIS V 454 0.1156 0.8052 0.8602 -0.0885 -0.0477 -0.0128 455 HIS b CE1 ? ? 1 +32698 N NE2 . HIS V 454 0.1154 0.8132 0.8657 -0.0876 -0.0525 -0.0156 455 HIS b NE2 ? ? 1 +32699 C CD2 . HIS V 454 0.1213 0.8151 0.8672 -0.0890 -0.0553 -0.0179 455 HIS b CD2 ? ? 1 +32700 C C . HIS V 454 0.1378 0.8003 0.8504 -0.0870 -0.0577 -0.0169 455 HIS b C ? ? 1 +32701 O O . HIS V 454 0.1401 0.8069 0.8539 -0.0857 -0.0626 -0.0192 455 HIS b O ? ? 1 +32702 N N . ALA V 455 0.1431 0.7949 0.8475 -0.0884 -0.0548 -0.0160 456 ALA b N ? ? 1 +32703 C CA . ALA V 455 0.1513 0.7962 0.8476 -0.0883 -0.0572 -0.0177 456 ALA b CA ? ? 1 +32704 C CB . ALA V 455 0.1579 0.7912 0.8464 -0.0904 -0.0532 -0.0168 456 ALA b CB ? ? 1 +32705 C C . ALA V 455 0.1503 0.7944 0.8406 -0.0821 -0.0601 -0.0157 456 ALA b C ? ? 1 +32706 O O . ALA V 455 0.1553 0.7994 0.8427 -0.0811 -0.0643 -0.0179 456 ALA b O ? ? 1 +32707 N N . VAL V 456 0.1443 0.7878 0.8325 -0.0780 -0.0580 -0.0116 457 VAL b N ? ? 1 +32708 C CA . VAL V 456 0.1436 0.7858 0.8259 -0.0725 -0.0600 -0.0095 457 VAL b CA ? ? 1 +32709 C CB . VAL V 456 0.1380 0.7776 0.8174 -0.0689 -0.0565 -0.0050 457 VAL b CB ? ? 1 +32710 C CG1 . VAL V 456 0.1367 0.7762 0.8111 -0.0635 -0.0585 -0.0030 457 VAL b CG1 ? ? 1 +32711 C CG2 . VAL V 456 0.1419 0.7719 0.8148 -0.0700 -0.0525 -0.0037 457 VAL b CG2 ? ? 1 +32712 C C . VAL V 456 0.1413 0.7924 0.8288 -0.0705 -0.0647 -0.0108 457 VAL b C ? ? 1 +32713 O O . VAL V 456 0.1447 0.7945 0.8270 -0.0677 -0.0682 -0.0115 457 VAL b O ? ? 1 +32714 N N . PHE V 457 0.1368 0.7967 0.8340 -0.0716 -0.0646 -0.0112 458 PHE b N ? ? 1 +32715 C CA . PHE V 457 0.1356 0.8043 0.8383 -0.0695 -0.0692 -0.0126 458 PHE b CA ? ? 1 +32716 C CB . PHE V 457 0.1294 0.8073 0.8428 -0.0704 -0.0681 -0.0125 458 PHE b CB ? ? 1 +32717 C CG . PHE V 457 0.1236 0.8010 0.8367 -0.0676 -0.0646 -0.0083 458 PHE b CG ? ? 1 +32718 C CD1 . PHE V 457 0.1237 0.7967 0.8294 -0.0628 -0.0647 -0.0050 458 PHE b CD1 ? ? 1 +32719 C CD2 . PHE V 457 0.1190 0.8005 0.8392 -0.0697 -0.0614 -0.0077 458 PHE b CD2 ? ? 1 +32720 C CE1 . PHE V 457 0.1184 0.7911 0.8241 -0.0605 -0.0616 -0.0014 458 PHE b CE1 ? ? 1 +32721 C CE2 . PHE V 457 0.1139 0.7949 0.8337 -0.0671 -0.0585 -0.0040 458 PHE b CE2 ? ? 1 +32722 C CZ . PHE V 457 0.1132 0.7898 0.8258 -0.0626 -0.0587 -0.0009 458 PHE b CZ ? ? 1 +32723 C C . PHE V 457 0.1415 0.8124 0.8452 -0.0716 -0.0739 -0.0172 458 PHE b C ? ? 1 +32724 O O . PHE V 457 0.1433 0.8167 0.8452 -0.0684 -0.0784 -0.0180 458 PHE b O ? ? 1 +32725 N N . ALA V 458 0.1459 0.8153 0.8519 -0.0771 -0.0728 -0.0201 459 ALA b N ? ? 1 +32726 C CA . ALA V 458 0.1525 0.8243 0.8603 -0.0796 -0.0774 -0.0249 459 ALA b CA ? ? 1 +32727 C CB . ALA V 458 0.1561 0.8265 0.8677 -0.0864 -0.0750 -0.0279 459 ALA b CB ? ? 1 +32728 C C . ALA V 458 0.1603 0.8247 0.8569 -0.0766 -0.0804 -0.0250 459 ALA b C ? ? 1 +32729 O O . ALA V 458 0.1629 0.8306 0.8591 -0.0749 -0.0857 -0.0275 459 ALA b O ? ? 1 +32730 N N . LEU V 459 0.1638 0.8179 0.8509 -0.0755 -0.0769 -0.0223 460 LEU b N ? ? 1 +32731 C CA . LEU V 459 0.1719 0.8180 0.8477 -0.0727 -0.0789 -0.0223 460 LEU b CA ? ? 1 +32732 C CB . LEU V 459 0.1758 0.8114 0.8436 -0.0728 -0.0740 -0.0198 460 LEU b CB ? ? 1 +32733 C CG . LEU V 459 0.1852 0.8113 0.8411 -0.0706 -0.0750 -0.0200 460 LEU b CG ? ? 1 +32734 C CD1 . LEU V 459 0.1941 0.8178 0.8484 -0.0743 -0.0781 -0.0247 460 LEU b CD1 ? ? 1 +32735 C CD2 . LEU V 459 0.1869 0.8038 0.8360 -0.0698 -0.0698 -0.0170 460 LEU b CD2 ? ? 1 +32736 C C . LEU V 459 0.1695 0.8178 0.8418 -0.0666 -0.0817 -0.0201 460 LEU b C ? ? 1 +32737 O O . LEU V 459 0.1750 0.8214 0.8415 -0.0645 -0.0858 -0.0218 460 LEU b O ? ? 1 +32738 N N . LEU V 460 0.1621 0.8139 0.8376 -0.0638 -0.0794 -0.0165 461 LEU b N ? ? 1 +32739 C CA . LEU V 460 0.1605 0.8145 0.8333 -0.0583 -0.0816 -0.0143 461 LEU b CA ? ? 1 +32740 C CB . LEU V 460 0.1530 0.8094 0.8292 -0.0564 -0.0778 -0.0102 461 LEU b CB ? ? 1 +32741 C CG . LEU V 460 0.1545 0.8027 0.8238 -0.0552 -0.0728 -0.0067 461 LEU b CG ? ? 1 +32742 C CD1 . LEU V 460 0.1460 0.7971 0.8190 -0.0532 -0.0696 -0.0029 461 LEU b CD1 ? ? 1 +32743 C CD2 . LEU V 460 0.1620 0.8028 0.8201 -0.0516 -0.0737 -0.0057 461 LEU b CD2 ? ? 1 +32744 C C . LEU V 460 0.1609 0.8231 0.8390 -0.0576 -0.0874 -0.0173 461 LEU b C ? ? 1 +32745 O O . LEU V 460 0.1643 0.8256 0.8367 -0.0536 -0.0911 -0.0172 461 LEU b O ? ? 1 +32746 N N . PHE V 461 0.1569 0.8273 0.8460 -0.0613 -0.0882 -0.0200 462 PHE b N ? ? 1 +32747 C CA . PHE V 461 0.1570 0.8363 0.8525 -0.0607 -0.0938 -0.0232 462 PHE b CA ? ? 1 +32748 C CB . PHE V 461 0.1513 0.8404 0.8603 -0.0644 -0.0928 -0.0250 462 PHE b CB ? ? 1 +32749 C CG . PHE V 461 0.1439 0.8382 0.8578 -0.0612 -0.0911 -0.0218 462 PHE b CG ? ? 1 +32750 C CD1 . PHE V 461 0.1405 0.8295 0.8502 -0.0595 -0.0861 -0.0172 462 PHE b CD1 ? ? 1 +32751 C CD2 . PHE V 461 0.1416 0.8459 0.8637 -0.0594 -0.0948 -0.0234 462 PHE b CD2 ? ? 1 +32752 C CE1 . PHE V 461 0.1340 0.8273 0.8476 -0.0566 -0.0848 -0.0144 462 PHE b CE1 ? ? 1 +32753 C CE2 . PHE V 461 0.1351 0.8434 0.8609 -0.0563 -0.0933 -0.0205 462 PHE b CE2 ? ? 1 +32754 C CZ . PHE V 461 0.1317 0.8344 0.8532 -0.0551 -0.0883 -0.0160 462 PHE b CZ ? ? 1 +32755 C C . PHE V 461 0.1651 0.8419 0.8557 -0.0614 -0.0988 -0.0272 462 PHE b C ? ? 1 +32756 O O . PHE V 461 0.1681 0.8488 0.8582 -0.0584 -0.1042 -0.0288 462 PHE b O ? ? 1 +32757 N N . PHE V 462 0.1699 0.8396 0.8559 -0.0651 -0.0971 -0.0286 463 PHE b N ? ? 1 +32758 C CA . PHE V 462 0.1801 0.8454 0.8592 -0.0653 -0.1014 -0.0320 463 PHE b CA ? ? 1 +32759 C CB . PHE V 462 0.1857 0.8415 0.8588 -0.0692 -0.0981 -0.0327 463 PHE b CB ? ? 1 +32760 C CG . PHE V 462 0.1967 0.8456 0.8599 -0.0687 -0.1019 -0.0355 463 PHE b CG ? ? 1 +32761 C CD1 . PHE V 462 0.2027 0.8561 0.8695 -0.0711 -0.1076 -0.0407 463 PHE b CD1 ? ? 1 +32762 C CD2 . PHE V 462 0.2014 0.8394 0.8519 -0.0656 -0.0999 -0.0330 463 PHE b CD2 ? ? 1 +32763 C CE1 . PHE V 462 0.2139 0.8606 0.8711 -0.0705 -0.1113 -0.0433 463 PHE b CE1 ? ? 1 +32764 C CE2 . PHE V 462 0.2121 0.8434 0.8531 -0.0650 -0.1032 -0.0355 463 PHE b CE2 ? ? 1 +32765 C CZ . PHE V 462 0.2187 0.8540 0.8626 -0.0674 -0.1090 -0.0406 463 PHE b CZ ? ? 1 +32766 C C . PHE V 462 0.1847 0.8458 0.8533 -0.0590 -0.1043 -0.0300 463 PHE b C ? ? 1 +32767 O O . PHE V 462 0.1911 0.8541 0.8576 -0.0573 -0.1101 -0.0329 463 PHE b O ? ? 1 +32768 N N . PHE V 463 0.1823 0.8375 0.8441 -0.0555 -0.1003 -0.0253 464 PHE b N ? ? 1 +32769 C CA . PHE V 463 0.1863 0.8370 0.8381 -0.0497 -0.1022 -0.0231 464 PHE b CA ? ? 1 +32770 C CB . PHE V 463 0.1821 0.8260 0.8273 -0.0469 -0.0965 -0.0180 464 PHE b CB ? ? 1 +32771 C CG . PHE V 463 0.1869 0.8258 0.8214 -0.0414 -0.0981 -0.0160 464 PHE b CG ? ? 1 +32772 C CD1 . PHE V 463 0.1970 0.8275 0.8204 -0.0404 -0.0993 -0.0172 464 PHE b CD1 ? ? 1 +32773 C CD2 . PHE V 463 0.1833 0.8254 0.8184 -0.0374 -0.0986 -0.0132 464 PHE b CD2 ? ? 1 +32774 C CE1 . PHE V 463 0.2031 0.8286 0.8160 -0.0353 -0.1006 -0.0154 464 PHE b CE1 ? ? 1 +32775 C CE2 . PHE V 463 0.1896 0.8264 0.8143 -0.0324 -0.0999 -0.0113 464 PHE b CE2 ? ? 1 +32776 C CZ . PHE V 463 0.1994 0.8281 0.8130 -0.0314 -0.1008 -0.0124 464 PHE b CZ ? ? 1 +32777 C C . PHE V 463 0.1847 0.8434 0.8408 -0.0461 -0.1067 -0.0232 464 PHE b C ? ? 1 +32778 O O . PHE V 463 0.1926 0.8497 0.8421 -0.0426 -0.1113 -0.0243 464 PHE b O ? ? 1 +32779 N N . GLY V 464 0.1769 0.8436 0.8435 -0.0468 -0.1052 -0.0221 465 GLY b N ? ? 1 +32780 C CA . GLY V 464 0.1764 0.8513 0.8484 -0.0436 -0.1094 -0.0226 465 GLY b CA ? ? 1 +32781 C C . GLY V 464 0.1840 0.8645 0.8591 -0.0442 -0.1164 -0.0277 465 GLY b C ? ? 1 +32782 O O . GLY V 464 0.1876 0.8703 0.8603 -0.0398 -0.1212 -0.0281 465 GLY b O ? ? 1 +32783 N N . HIS V 465 0.1881 0.8704 0.8683 -0.0497 -0.1169 -0.0317 466 HIS b N ? ? 1 +32784 C CA . HIS V 465 0.1961 0.8842 0.8802 -0.0511 -0.1234 -0.0371 466 HIS b CA ? ? 1 +32785 C CB . HIS V 465 0.1960 0.8865 0.8880 -0.0584 -0.1219 -0.0409 466 HIS b CB ? ? 1 +32786 C CG . HIS V 465 0.2054 0.8988 0.8987 -0.0605 -0.1282 -0.0467 466 HIS b CG ? ? 1 +32787 N ND1 . HIS V 465 0.2068 0.9098 0.9061 -0.0582 -0.1348 -0.0497 466 HIS b ND1 ? ? 1 +32788 C CE1 . HIS V 465 0.2160 0.9192 0.9147 -0.0609 -0.1395 -0.0547 466 HIS b CE1 ? ? 1 +32789 N NE2 . HIS V 465 0.2200 0.9138 0.9122 -0.0648 -0.1361 -0.0549 466 HIS b NE2 ? ? 1 +32790 C CD2 . HIS V 465 0.2134 0.9010 0.9021 -0.0644 -0.1291 -0.0498 466 HIS b CD2 ? ? 1 +32791 C C . HIS V 465 0.2096 0.8901 0.8808 -0.0478 -0.1280 -0.0383 466 HIS b C ? ? 1 +32792 O O . HIS V 465 0.2135 0.8978 0.8838 -0.0445 -0.1343 -0.0404 466 HIS b O ? ? 1 +32793 N N . ILE V 466 0.2173 0.8868 0.8779 -0.0486 -0.1246 -0.0368 467 ILE b N ? ? 1 +32794 C CA . ILE V 466 0.2294 0.8900 0.8761 -0.0452 -0.1275 -0.0371 467 ILE b CA ? ? 1 +32795 C CB . ILE V 466 0.2340 0.8832 0.8715 -0.0467 -0.1219 -0.0350 467 ILE b CB ? ? 1 +32796 C CG1 . ILE V 466 0.2369 0.8854 0.8785 -0.0533 -0.1213 -0.0389 467 ILE b CG1 ? ? 1 +32797 C CG2 . ILE V 466 0.2450 0.8839 0.8667 -0.0421 -0.1232 -0.0338 467 ILE b CG2 ? ? 1 +32798 C CD1 . ILE V 466 0.2455 0.8971 0.8882 -0.0551 -0.1281 -0.0447 467 ILE b CD1 ? ? 1 +32799 C C . ILE V 466 0.2309 0.8900 0.8702 -0.0382 -0.1296 -0.0340 467 ILE b C ? ? 1 +32800 O O . ILE V 466 0.2395 0.8967 0.8717 -0.0349 -0.1353 -0.0359 467 ILE b O ? ? 1 +32801 N N A TRP V 467 0.2229 0.8821 0.8634 -0.0359 -0.1250 -0.0292 468 TRP b N ? ? 1 +32802 N N B TRP V 467 0.2231 0.8824 0.8638 -0.0359 -0.1251 -0.0292 468 TRP b N ? ? 1 +32803 C CA A TRP V 467 0.2249 0.8822 0.8587 -0.0297 -0.1262 -0.0259 468 TRP b CA ? ? 1 +32804 C CA B TRP V 467 0.2254 0.8825 0.8590 -0.0296 -0.1261 -0.0258 468 TRP b CA ? ? 1 +32805 C C A TRP V 467 0.2263 0.8923 0.8657 -0.0270 -0.1329 -0.0283 468 TRP b C ? ? 1 +32806 C C B TRP V 467 0.2263 0.8921 0.8655 -0.0268 -0.1326 -0.0279 468 TRP b C ? ? 1 +32807 O O A TRP V 467 0.2358 0.8989 0.8666 -0.0227 -0.1380 -0.0292 468 TRP b O ? ? 1 +32808 O O B TRP V 467 0.2355 0.8981 0.8659 -0.0221 -0.1371 -0.0281 468 TRP b O ? ? 1 +32809 C CB A TRP V 467 0.2157 0.8723 0.8513 -0.0285 -0.1199 -0.0207 468 TRP b CB ? ? 1 +32810 C CB B TRP V 467 0.2170 0.8725 0.8515 -0.0285 -0.1195 -0.0205 468 TRP b CB ? ? 1 +32811 C CG A TRP V 467 0.2178 0.8726 0.8472 -0.0225 -0.1210 -0.0174 468 TRP b CG ? ? 1 +32812 C CG B TRP V 467 0.2192 0.8732 0.8480 -0.0225 -0.1205 -0.0172 468 TRP b CG ? ? 1 +32813 C CD1 A TRP V 467 0.2130 0.8745 0.8488 -0.0200 -0.1223 -0.0162 468 TRP b CD1 ? ? 1 +32814 C CD1 B TRP V 467 0.2138 0.8746 0.8495 -0.0203 -0.1214 -0.0158 468 TRP b CD1 ? ? 1 +32815 C CD2 A TRP V 467 0.2272 0.8722 0.8421 -0.0181 -0.1208 -0.0150 468 TRP b CD2 ? ? 1 +32816 C CD2 B TRP V 467 0.2297 0.8743 0.8441 -0.0180 -0.1207 -0.0150 468 TRP b CD2 ? ? 1 +32817 N NE1 A TRP V 467 0.2182 0.8743 0.8443 -0.0144 -0.1230 -0.0132 468 TRP b NE1 ? ? 1 +32818 N NE1 B TRP V 467 0.2191 0.8750 0.8454 -0.0148 -0.1222 -0.0128 468 TRP b NE1 ? ? 1 +32819 C CE2 A TRP V 467 0.2270 0.8730 0.8401 -0.0133 -0.1220 -0.0123 468 TRP b CE2 ? ? 1 +32820 C CE2 B TRP V 467 0.2289 0.8748 0.8420 -0.0133 -0.1217 -0.0122 468 TRP b CE2 ? ? 1 +32821 C CE3 A TRP V 467 0.2357 0.8709 0.8387 -0.0178 -0.1195 -0.0149 468 TRP b CE3 ? ? 1 +32822 C CE3 B TRP V 467 0.2393 0.8742 0.8415 -0.0175 -0.1199 -0.0150 468 TRP b CE3 ? ? 1 +32823 C CZ2 A TRP V 467 0.2351 0.8724 0.8348 -0.0085 -0.1217 -0.0095 468 TRP b CZ2 ? ? 1 +32824 C CZ2 B TRP V 467 0.2374 0.8750 0.8373 -0.0084 -0.1218 -0.0094 468 TRP b CZ2 ? ? 1 +32825 C CZ3 A TRP V 467 0.2431 0.8703 0.8332 -0.0129 -0.1191 -0.0121 468 TRP b CZ3 ? ? 1 +32826 C CZ3 B TRP V 467 0.2471 0.8741 0.8364 -0.0124 -0.1199 -0.0123 468 TRP b CZ3 ? ? 1 +32827 C CH2 A TRP V 467 0.2429 0.8711 0.8314 -0.0085 -0.1202 -0.0094 468 TRP b CH2 ? ? 1 +32828 C CH2 B TRP V 467 0.2462 0.8745 0.8344 -0.0081 -0.1208 -0.0095 468 TRP b CH2 ? ? 1 +32829 N N . HIS V 468 0.2177 0.8942 0.8711 -0.0293 -0.1330 -0.0295 469 HIS b N ? ? 1 +32830 C CA . HIS V 468 0.2190 0.9049 0.8791 -0.0265 -0.1390 -0.0318 469 HIS b CA ? ? 1 +32831 C CB . HIS V 468 0.2077 0.9038 0.8826 -0.0287 -0.1367 -0.0316 469 HIS b CB ? ? 1 +32832 C CG . HIS V 468 0.2006 0.8938 0.8735 -0.0258 -0.1315 -0.0260 469 HIS b CG ? ? 1 +32833 N ND1 . HIS V 468 0.2027 0.8943 0.8698 -0.0196 -0.1338 -0.0235 469 HIS b ND1 ? ? 1 +32834 C CE1 . HIS V 468 0.1953 0.8845 0.8624 -0.0189 -0.1280 -0.0190 469 HIS b CE1 ? ? 1 +32835 N NE2 . HIS V 468 0.1879 0.8773 0.8603 -0.0240 -0.1226 -0.0185 469 HIS b NE2 ? ? 1 +32836 C CD2 . HIS V 468 0.1909 0.8824 0.8666 -0.0284 -0.1246 -0.0228 469 HIS b CD2 ? ? 1 +32837 C C . HIS V 468 0.2277 0.9172 0.8887 -0.0275 -0.1464 -0.0376 469 HIS b C ? ? 1 +32838 O O . HIS V 468 0.2340 0.9266 0.8935 -0.0230 -0.1526 -0.0390 469 HIS b O ? ? 1 +32839 N N . GLY V 469 0.2309 0.9190 0.8934 -0.0330 -0.1458 -0.0408 470 GLY b N ? ? 1 +32840 C CA . GLY V 469 0.2410 0.9305 0.9022 -0.0341 -0.1526 -0.0463 470 GLY b CA ? ? 1 +32841 C C . GLY V 469 0.2544 0.9343 0.8992 -0.0288 -0.1564 -0.0457 470 GLY b C ? ? 1 +32842 O O . GLY V 469 0.2606 0.9434 0.9037 -0.0261 -0.1638 -0.0490 470 GLY b O ? ? 1 +32843 N N . ALA V 470 0.2590 0.9274 0.8918 -0.0273 -0.1513 -0.0414 471 ALA b N ? ? 1 +32844 C CA . ALA V 470 0.2728 0.9310 0.8892 -0.0222 -0.1535 -0.0401 471 ALA b CA ? ? 1 +32845 C CB . ALA V 470 0.2727 0.9195 0.8788 -0.0220 -0.1462 -0.0356 471 ALA b CB ? ? 1 +32846 C C . ALA V 470 0.2782 0.9384 0.8915 -0.0156 -0.1575 -0.0383 471 ALA b C ? ? 1 +32847 O O . ALA V 470 0.2904 0.9483 0.8957 -0.0118 -0.1639 -0.0404 471 ALA b O ? ? 1 +32848 N N . ARG V 471 0.2723 0.9367 0.8919 -0.0140 -0.1540 -0.0346 472 ARG b N ? ? 1 +32849 C CA . ARG V 471 0.2798 0.9456 0.8965 -0.0077 -0.1574 -0.0327 472 ARG b CA ? ? 1 +32850 C CB . ARG V 471 0.2752 0.9447 0.8990 -0.0069 -0.1523 -0.0284 472 ARG b CB ? ? 1 +32851 C CG . ARG V 471 0.2795 0.9394 0.8954 -0.0068 -0.1444 -0.0230 472 ARG b CG ? ? 1 +32852 C CD . ARG V 471 0.2836 0.9409 0.8955 -0.0019 -0.1421 -0.0181 472 ARG b CD ? ? 1 +32853 N NE . ARG V 471 0.2854 0.9522 0.9070 0.0003 -0.1456 -0.0188 472 ARG b NE ? ? 1 +32854 C CZ . ARG V 471 0.2976 0.9625 0.9131 0.0064 -0.1489 -0.0172 472 ARG b CZ ? ? 1 +32855 N NH1 . ARG V 471 0.3121 0.9659 0.9122 0.0105 -0.1482 -0.0141 472 ARG b NH1 ? ? 1 +32856 N NH2 . ARG V 471 0.2933 0.9675 0.9182 0.0084 -0.1529 -0.0186 472 ARG b NH2 ? ? 1 +32857 C C . ARG V 471 0.2844 0.9598 0.9078 -0.0059 -0.1661 -0.0374 472 ARG b C ? ? 1 +32858 O O . ARG V 471 0.2921 0.9657 0.9081 0.0000 -0.1710 -0.0370 472 ARG b O ? ? 1 +32859 N N . THR V 472 0.2796 0.9653 0.9171 -0.0111 -0.1677 -0.0419 473 THR b N ? ? 1 +32860 C CA . THR V 472 0.2825 0.9789 0.9285 -0.0100 -0.1758 -0.0469 473 THR b CA ? ? 1 +32861 C CB . THR V 472 0.2705 0.9786 0.9342 -0.0167 -0.1747 -0.0506 473 THR b CB ? ? 1 +32862 O OG1 . THR V 472 0.2556 0.9663 0.9269 -0.0181 -0.1677 -0.0466 473 THR b OG1 ? ? 1 +32863 C CG2 . THR V 472 0.2714 0.9924 0.9463 -0.0159 -0.1827 -0.0560 473 THR b CG2 ? ? 1 +32864 C C . THR V 472 0.3015 0.9932 0.9369 -0.0080 -0.1829 -0.0506 473 THR b C ? ? 1 +32865 O O . THR V 472 0.3087 1.0020 0.9402 -0.0025 -0.1898 -0.0519 473 THR b O ? ? 1 +32866 N N . LEU V 473 0.3112 0.9962 0.9413 -0.0124 -0.1811 -0.0522 474 LEU b N ? ? 1 +32867 C CA . LEU V 473 0.3277 1.0085 0.9490 -0.0118 -0.1876 -0.0565 474 LEU b CA ? ? 1 +32868 C CB . LEU V 473 0.3254 1.0041 0.9491 -0.0193 -0.1849 -0.0596 474 LEU b CB ? ? 1 +32869 C CG . LEU V 473 0.3158 1.0070 0.9585 -0.0261 -0.1841 -0.0632 474 LEU b CG ? ? 1 +32870 C CD1 . LEU V 473 0.3170 1.0034 0.9596 -0.0331 -0.1803 -0.0652 474 LEU b CD1 ? ? 1 +32871 C CD2 . LEU V 473 0.3189 1.0225 0.9717 -0.0257 -0.1932 -0.0693 474 LEU b CD2 ? ? 1 +32872 C C . LEU V 473 0.3470 1.0143 0.9482 -0.0057 -0.1883 -0.0534 474 LEU b C ? ? 1 +32873 O O . LEU V 473 0.3583 1.0217 0.9504 -0.0036 -0.1947 -0.0566 474 LEU b O ? ? 1 +32874 N N . PHE V 474 0.3579 1.0179 0.9522 -0.0031 -0.1817 -0.0472 475 PHE b N ? ? 1 +32875 C CA . PHE V 474 0.3772 1.0241 0.9528 0.0024 -0.1811 -0.0437 475 PHE b CA ? ? 1 +32876 C CB . PHE V 474 0.3678 1.0039 0.9350 -0.0003 -0.1733 -0.0407 475 PHE b CB ? ? 1 +32877 C CG . PHE V 474 0.3649 0.9986 0.9312 -0.0054 -0.1742 -0.0450 475 PHE b CG ? ? 1 +32878 C CD1 . PHE V 474 0.3537 0.9948 0.9340 -0.0122 -0.1720 -0.0476 475 PHE b CD1 ? ? 1 +32879 C CD2 . PHE V 474 0.3764 1.0000 0.9275 -0.0033 -0.1771 -0.0466 475 PHE b CD2 ? ? 1 +32880 C CE1 . PHE V 474 0.3580 0.9959 0.9369 -0.0170 -0.1726 -0.0515 475 PHE b CE1 ? ? 1 +32881 C CE2 . PHE V 474 0.3802 1.0011 0.9301 -0.0080 -0.1778 -0.0506 475 PHE b CE2 ? ? 1 +32882 C CZ . PHE V 474 0.3713 0.9991 0.9351 -0.0149 -0.1756 -0.0531 475 PHE b CZ ? ? 1 +32883 C C . PHE V 474 0.3977 1.0435 0.9698 0.0085 -0.1802 -0.0389 475 PHE b C ? ? 1 +32884 O O . PHE V 474 0.4053 1.0401 0.9637 0.0121 -0.1767 -0.0345 475 PHE b O ? ? 1 +32885 N N . ARG V 475 0.4245 1.0816 1.0090 0.0096 -0.1833 -0.0399 476 ARG b N ? ? 1 +32886 C CA . ARG V 475 0.4541 1.1108 1.0363 0.0154 -0.1830 -0.0358 476 ARG b CA ? ? 1 +32887 C CB . ARG V 475 0.4828 1.1534 1.0797 0.0165 -0.1885 -0.0388 476 ARG b CB ? ? 1 +32888 C CG . ARG V 475 0.5245 1.1950 1.1192 0.0228 -0.1890 -0.0351 476 ARG b CG ? ? 1 +32889 C CD . ARG V 475 0.5686 1.2538 1.1796 0.0234 -0.1938 -0.0383 476 ARG b CD ? ? 1 +32890 N NE . ARG V 475 0.6213 1.3063 1.2269 0.0312 -0.1996 -0.0375 476 ARG b NE ? ? 1 +32891 C CZ . ARG V 475 0.6561 1.3513 1.2731 0.0336 -0.2020 -0.0381 476 ARG b CZ ? ? 1 +32892 N NH1 . ARG V 475 0.6585 1.3630 1.2912 0.0292 -0.1974 -0.0381 476 ARG b NH1 ? ? 1 +32893 N NH2 . ARG V 475 0.6877 1.3829 1.2993 0.0410 -0.2089 -0.0387 476 ARG b NH2 ? ? 1 +32894 C C . ARG V 475 0.4604 1.1058 1.0238 0.0224 -0.1864 -0.0339 476 ARG b C ? ? 1 +32895 O O . ARG V 475 0.4619 1.0998 1.0167 0.0260 -0.1822 -0.0287 476 ARG b O ? ? 1 +32896 N N . ASP V 476 0.4658 1.1099 1.0227 0.0239 -0.1938 -0.0383 477 ASP b N ? ? 1 +32897 C CA . ASP V 476 0.4850 1.1187 1.0238 0.0307 -0.1981 -0.0372 477 ASP b CA ? ? 1 +32898 C CB . ASP V 476 0.4921 1.1282 1.0285 0.0314 -0.2076 -0.0435 477 ASP b CB ? ? 1 +32899 C CG . ASP V 476 0.4995 1.1328 1.0349 0.0255 -0.2063 -0.0467 477 ASP b CG ? ? 1 +32900 O OD1 . ASP V 476 0.4922 1.1299 1.0387 0.0191 -0.2006 -0.0467 477 ASP b OD1 ? ? 1 +32901 O OD2 . ASP V 476 0.5233 1.1497 1.0464 0.0274 -0.2111 -0.0493 477 ASP b OD2 ? ? 1 +32902 C C . ASP V 476 0.4950 1.1134 1.0167 0.0318 -0.1917 -0.0327 477 ASP b C ? ? 1 +32903 O O . ASP V 476 0.5132 1.1219 1.0195 0.0378 -0.1930 -0.0300 477 ASP b O ? ? 1 +32904 N N A VAL V 477 0.4891 1.1049 1.0129 0.0261 -0.1847 -0.0319 478 VAL b N ? ? 1 +32905 N N B VAL V 477 0.4875 1.1035 1.0117 0.0261 -0.1847 -0.0318 478 VAL b N ? ? 1 +32906 C CA A VAL V 477 0.4964 1.0987 1.0054 0.0268 -0.1781 -0.0278 478 VAL b CA ? ? 1 +32907 C CA B VAL V 477 0.4943 1.0970 1.0041 0.0266 -0.1780 -0.0278 478 VAL b CA ? ? 1 +32908 C C A VAL V 477 0.4865 1.0886 1.0015 0.0240 -0.1685 -0.0229 478 VAL b C ? ? 1 +32909 C C B VAL V 477 0.4839 1.0867 1.0000 0.0235 -0.1683 -0.0230 478 VAL b C ? ? 1 +32910 O O A VAL V 477 0.4922 1.0854 0.9989 0.0229 -0.1621 -0.0201 478 VAL b O ? ? 1 +32911 O O B VAL V 477 0.4893 1.0838 0.9981 0.0219 -0.1620 -0.0207 478 VAL b O ? ? 1 +32912 C CB A VAL V 477 0.5017 1.0986 1.0044 0.0235 -0.1786 -0.0312 478 VAL b CB ? ? 1 +32913 C CB B VAL V 477 0.5000 1.0972 1.0030 0.0234 -0.1787 -0.0313 478 VAL b CB ? ? 1 +32914 C CG1 A VAL V 477 0.5173 1.1108 1.0093 0.0273 -0.1877 -0.0353 478 VAL b CG1 ? ? 1 +32915 C CG1 B VAL V 477 0.5150 1.1097 1.0084 0.0272 -0.1881 -0.0356 478 VAL b CG1 ? ? 1 +32916 C CG2 A VAL V 477 0.4900 1.0960 1.0085 0.0161 -0.1773 -0.0347 478 VAL b CG2 ? ? 1 +32917 C CG2 B VAL V 477 0.4883 1.0941 1.0068 0.0160 -0.1770 -0.0346 478 VAL b CG2 ? ? 1 +32918 N N A PHE V 478 0.4786 1.0905 1.0076 0.0231 -0.1676 -0.0219 479 PHE b N ? ? 1 +32919 N N B PHE V 478 0.4762 1.0882 1.0056 0.0230 -0.1672 -0.0217 479 PHE b N ? ? 1 +32920 C CA A PHE V 478 0.4726 1.0856 1.0087 0.0201 -0.1590 -0.0178 479 PHE b CA ? ? 1 +32921 C CA B PHE V 478 0.4726 1.0855 1.0089 0.0199 -0.1586 -0.0176 479 PHE b CA ? ? 1 +32922 C C A PHE V 478 0.4867 1.0881 1.0093 0.0234 -0.1530 -0.0121 479 PHE b C ? ? 1 +32923 C C B PHE V 478 0.4856 1.0869 1.0084 0.0233 -0.1526 -0.0119 479 PHE b C ? ? 1 +32924 O O A PHE V 478 0.4730 1.0707 0.9956 0.0205 -0.1454 -0.0093 479 PHE b O ? ? 1 +32925 O O B PHE V 478 0.4672 1.0648 0.9899 0.0203 -0.1451 -0.0092 479 PHE b O ? ? 1 +32926 C CB A PHE V 478 0.4597 1.0845 1.0116 0.0196 -0.1597 -0.0176 479 PHE b CB ? ? 1 +32927 C CB B PHE V 478 0.4616 1.0862 1.0136 0.0194 -0.1591 -0.0174 479 PHE b CB ? ? 1 +32928 C CG A PHE V 478 0.4493 1.0750 1.0080 0.0169 -0.1512 -0.0133 479 PHE b CG ? ? 1 +32929 C CG B PHE V 478 0.4554 1.0805 1.0137 0.0169 -0.1506 -0.0129 479 PHE b CG ? ? 1 +32930 C CD1 A PHE V 478 0.4427 1.0704 1.0089 0.0109 -0.1459 -0.0137 479 PHE b CD1 ? ? 1 +32931 C CD1 B PHE V 478 0.4525 1.0787 1.0172 0.0111 -0.1450 -0.0130 479 PHE b CD1 ? ? 1 +32932 C CD2 A PHE V 478 0.4481 1.0722 1.0053 0.0205 -0.1487 -0.0089 479 PHE b CD2 ? ? 1 +32933 C CD2 B PHE V 478 0.4556 1.0794 1.0127 0.0205 -0.1484 -0.0087 479 PHE b CD2 ? ? 1 +32934 C CE1 A PHE V 478 0.4302 1.0587 1.0023 0.0088 -0.1386 -0.0098 479 PHE b CE1 ? ? 1 +32935 C CE1 B PHE V 478 0.4399 1.0667 1.0101 0.0090 -0.1376 -0.0090 479 PHE b CE1 ? ? 1 +32936 C CE2 A PHE V 478 0.4384 1.0632 1.0016 0.0180 -0.1412 -0.0052 479 PHE b CE2 ? ? 1 +32937 C CE2 B PHE V 478 0.4475 1.0718 1.0102 0.0181 -0.1408 -0.0049 479 PHE b CE2 ? ? 1 +32938 C CZ A PHE V 478 0.4276 1.0548 0.9983 0.0122 -0.1363 -0.0057 479 PHE b CZ ? ? 1 +32939 C CZ B PHE V 478 0.4367 1.0627 1.0060 0.0125 -0.1356 -0.0051 479 PHE b CZ ? ? 1 +32940 N N A SER V 479 0.5077 1.1032 1.0187 0.0296 -0.1564 -0.0105 480 SER b N ? ? 1 +32941 N N B SER V 479 0.5053 1.1007 1.0166 0.0294 -0.1559 -0.0103 480 SER b N ? ? 1 +32942 C CA A SER V 479 0.5179 1.1022 1.0158 0.0330 -0.1510 -0.0051 480 SER b CA ? ? 1 +32943 C CA B SER V 479 0.5135 1.0977 1.0114 0.0329 -0.1506 -0.0050 480 SER b CA ? ? 1 +32944 C C A SER V 479 0.5424 1.1145 1.0235 0.0342 -0.1494 -0.0048 480 SER b C ? ? 1 +32945 C C B SER V 479 0.5378 1.1097 1.0186 0.0343 -0.1494 -0.0047 480 SER b C ? ? 1 +32946 O O A SER V 479 0.5583 1.1209 1.0286 0.0361 -0.1437 -0.0005 480 SER b O ? ? 1 +32947 O O B SER V 479 0.5597 1.1219 1.0292 0.0365 -0.1440 -0.0004 480 SER b O ? ? 1 +32948 C CB A SER V 479 0.5219 1.1045 1.0143 0.0392 -0.1549 -0.0033 480 SER b CB ? ? 1 +32949 C CB B SER V 479 0.5164 1.0990 1.0090 0.0391 -0.1545 -0.0031 480 SER b CB ? ? 1 +32950 O OG A SER V 479 0.5089 1.1009 1.0153 0.0385 -0.1542 -0.0023 480 SER b OG ? ? 1 +32951 O OG B SER V 479 0.5031 1.0951 1.0098 0.0383 -0.1538 -0.0021 480 SER b OG ? ? 1 +32952 N N A GLY V 480 0.5586 1.1310 1.0376 0.0330 -0.1545 -0.0095 481 GLY b N ? ? 1 +32953 N N B GLY V 480 0.5510 1.1234 1.0301 0.0329 -0.1543 -0.0094 481 GLY b N ? ? 1 +32954 C CA A GLY V 480 0.5806 1.1416 1.0434 0.0343 -0.1538 -0.0099 481 GLY b CA ? ? 1 +32955 C CA B GLY V 480 0.5717 1.1326 1.0344 0.0343 -0.1538 -0.0099 481 GLY b CA ? ? 1 +32956 C C A GLY V 480 0.6053 1.1663 1.0628 0.0360 -0.1631 -0.0152 481 GLY b C ? ? 1 +32957 C C B GLY V 480 0.5944 1.1561 1.0531 0.0354 -0.1630 -0.0154 481 GLY b C ? ? 1 +32958 O O A GLY V 480 0.6002 1.1695 1.0651 0.0373 -0.1703 -0.0180 481 GLY b O ? ? 1 +32959 O O B GLY V 480 0.5841 1.1555 1.0527 0.0354 -0.1698 -0.0189 481 GLY b O ? ? 1 +32960 N N A ILE V 481 0.6354 1.1873 1.0802 0.0361 -0.1630 -0.0166 482 ILE b N ? ? 1 +32961 N N B ILE V 481 0.6266 1.1781 1.0708 0.0363 -0.1629 -0.0164 482 ILE b N ? ? 1 +32962 C CA A ILE V 481 0.6617 1.2124 1.1000 0.0377 -0.1717 -0.0217 482 ILE b CA ? ? 1 +32963 C CA B ILE V 481 0.6519 1.2022 1.0896 0.0377 -0.1715 -0.0216 482 ILE b CA ? ? 1 +32964 C C A ILE V 481 0.7030 1.2453 1.1249 0.0450 -0.1761 -0.0203 482 ILE b C ? ? 1 +32965 C C B ILE V 481 0.6955 1.2368 1.1162 0.0450 -0.1759 -0.0203 482 ILE b C ? ? 1 +32966 O O A ILE V 481 0.7064 1.2411 1.1194 0.0483 -0.1712 -0.0151 482 ILE b O ? ? 1 +32967 O O B ILE V 481 0.6988 1.2312 1.1087 0.0483 -0.1706 -0.0152 482 ILE b O ? ? 1 +32968 C CB A ILE V 481 0.6635 1.2079 1.0951 0.0345 -0.1699 -0.0242 482 ILE b CB ? ? 1 +32969 C CB B ILE V 481 0.6519 1.1960 1.0835 0.0344 -0.1694 -0.0240 482 ILE b CB ? ? 1 +32970 C CG1 A ILE V 481 0.6730 1.2024 1.0854 0.0377 -0.1643 -0.0205 482 ILE b CG1 ? ? 1 +32971 C CG1 B ILE V 481 0.6634 1.1926 1.0758 0.0376 -0.1639 -0.0204 482 ILE b CG1 ? ? 1 +32972 C CG2 A ILE V 481 0.6484 1.2000 1.0953 0.0275 -0.1647 -0.0250 482 ILE b CG2 ? ? 1 +32973 C CG2 B ILE V 481 0.6342 1.1856 1.0813 0.0274 -0.1640 -0.0246 482 ILE b CG2 ? ? 1 +32974 C CD1 A ILE V 481 0.6794 1.2017 1.0836 0.0355 -0.1632 -0.0232 482 ILE b CD1 ? ? 1 +32975 C CD1 B ILE V 481 0.6691 1.1919 1.0747 0.0350 -0.1620 -0.0228 482 ILE b CD1 ? ? 1 +32976 N N A ASP V 482 0.7477 1.2912 1.1657 0.0475 -0.1857 -0.0250 483 ASP b N ? ? 1 +32977 N N B ASP V 482 0.7435 1.2874 1.1619 0.0475 -0.1857 -0.0249 483 ASP b N ? ? 1 +32978 C CA A ASP V 482 0.7928 1.3291 1.1958 0.0548 -0.1914 -0.0243 483 ASP b CA ? ? 1 +32979 C CA B ASP V 482 0.7920 1.3284 1.1950 0.0548 -0.1914 -0.0243 483 ASP b CA ? ? 1 +32980 C C A ASP V 482 0.8316 1.3514 1.2133 0.0579 -0.1862 -0.0206 483 ASP b C ? ? 1 +32981 C C B ASP V 482 0.8272 1.3471 1.2091 0.0579 -0.1860 -0.0205 483 ASP b C ? ? 1 +32982 O O A ASP V 482 0.8270 1.3407 1.2016 0.0558 -0.1842 -0.0222 483 ASP b O ? ? 1 +32983 O O B ASP V 482 0.8175 1.3314 1.1927 0.0555 -0.1836 -0.0220 483 ASP b O ? ? 1 +32984 C CB A ASP V 482 0.8083 1.3488 1.2106 0.0563 -0.2027 -0.0307 483 ASP b CB ? ? 1 +32985 C CB B ASP V 482 0.8118 1.3524 1.2143 0.0562 -0.2027 -0.0308 483 ASP b CB ? ? 1 +32986 C CG A ASP V 482 0.8303 1.3646 1.2184 0.0643 -0.2096 -0.0302 483 ASP b CG ? ? 1 +32987 C CG B ASP V 482 0.8377 1.3731 1.2272 0.0641 -0.2101 -0.0306 483 ASP b CG ? ? 1 +32988 O OD1 A ASP V 482 0.8283 1.3648 1.2190 0.0678 -0.2096 -0.0271 483 ASP b OD1 ? ? 1 +32989 O OD1 B ASP V 482 0.8355 1.3746 1.2292 0.0674 -0.2108 -0.0280 483 ASP b OD1 ? ? 1 +32990 O OD2 A ASP V 482 0.8626 1.3891 1.2362 0.0672 -0.2149 -0.0330 483 ASP b OD2 ? ? 1 +32991 O OD2 B ASP V 482 0.8790 1.4065 1.2537 0.0671 -0.2154 -0.0333 483 ASP b OD2 ? ? 1 +32992 N N A PRO V 483 0.8813 1.3931 1.2521 0.0630 -0.1834 -0.0155 484 PRO b N ? ? 1 +32993 N N B PRO V 483 0.8762 1.3880 1.2471 0.0630 -0.1833 -0.0155 484 PRO b N ? ? 1 +32994 C CA A PRO V 483 0.9190 1.4149 1.2692 0.0661 -0.1781 -0.0120 484 PRO b CA ? ? 1 +32995 C CA B PRO V 483 0.9109 1.4068 1.2610 0.0661 -0.1781 -0.0119 484 PRO b CA ? ? 1 +32996 C C A PRO V 483 0.9876 1.4747 1.3210 0.0693 -0.1846 -0.0156 484 PRO b C ? ? 1 +32997 C C B PRO V 483 0.9821 1.4689 1.3151 0.0695 -0.1846 -0.0155 484 PRO b C ? ? 1 +32998 O O A PRO V 483 1.0095 1.4853 1.3288 0.0696 -0.1799 -0.0144 484 PRO b O ? ? 1 +32999 O O B PRO V 483 1.0080 1.4830 1.3261 0.0702 -0.1798 -0.0140 484 PRO b O ? ? 1 +33000 C CB A PRO V 483 0.9105 1.4013 1.2539 0.0712 -0.1762 -0.0068 484 PRO b CB ? ? 1 +33001 C CB B PRO V 483 0.9006 1.3913 1.2439 0.0712 -0.1761 -0.0067 484 PRO b CB ? ? 1 +33002 C CG A PRO V 483 0.8883 1.3930 1.2518 0.0691 -0.1773 -0.0067 484 PRO b CG ? ? 1 +33003 C CG B PRO V 483 0.8796 1.3843 1.2431 0.0692 -0.1771 -0.0065 484 PRO b CG ? ? 1 +33004 C CD A PRO V 483 0.8784 1.3956 1.2559 0.0660 -0.1848 -0.0130 484 PRO b CD ? ? 1 +33005 C CD B PRO V 483 0.8706 1.3879 1.2483 0.0659 -0.1846 -0.0129 484 PRO b CD ? ? 1 +33006 N N . GLU V 484 1.0451 1.5380 1.3807 0.0718 -0.1954 -0.0203 485 GLU b N ? ? 1 +33007 C CA . GLU V 484 1.1330 1.6188 1.4539 0.0748 -0.2029 -0.0245 485 GLU b CA ? ? 1 +33008 C CB . GLU V 484 1.1924 1.6780 1.5063 0.0818 -0.2130 -0.0259 485 GLU b CB ? ? 1 +33009 C CG . GLU V 484 1.2388 1.7144 1.5397 0.0879 -0.2098 -0.0198 485 GLU b CG ? ? 1 +33010 C CD . GLU V 484 1.2580 1.7431 1.5719 0.0895 -0.2113 -0.0179 485 GLU b CD ? ? 1 +33011 O OE1 . GLU V 484 1.2665 1.7666 1.5990 0.0869 -0.2167 -0.0219 485 GLU b OE1 ? ? 1 +33012 O OE2 . GLU V 484 1.2838 1.7612 1.5892 0.0932 -0.2068 -0.0124 485 GLU b OE2 ? ? 1 +33013 C C . GLU V 484 1.1566 1.6503 1.4875 0.0696 -0.2076 -0.0310 485 GLU b C ? ? 1 +33014 O O . GLU V 484 1.1317 1.6270 1.4592 0.0717 -0.2174 -0.0361 485 GLU b O ? ? 1 +33015 N N A LEU V 485 1.1696 1.6681 1.5126 0.0629 -0.2007 -0.0310 486 LEU b N ? ? 1 +33016 N N B LEU V 485 1.1718 1.6701 1.5145 0.0629 -0.2006 -0.0309 486 LEU b N ? ? 1 +33017 C CA A LEU V 485 1.1905 1.6969 1.5447 0.0572 -0.2041 -0.0368 486 LEU b CA ? ? 1 +33018 C CA B LEU V 485 1.1920 1.6981 1.5459 0.0571 -0.2039 -0.0368 486 LEU b CA ? ? 1 +33019 C C A LEU V 485 1.2418 1.7375 1.5788 0.0587 -0.2080 -0.0404 486 LEU b C ? ? 1 +33020 C C B LEU V 485 1.2492 1.7445 1.5856 0.0589 -0.2081 -0.0403 486 LEU b C ? ? 1 +33021 O O A LEU V 485 1.2710 1.7542 1.5936 0.0596 -0.2015 -0.0376 486 LEU b O ? ? 1 +33022 O O B LEU V 485 1.2859 1.7684 1.6070 0.0602 -0.2019 -0.0375 486 LEU b O ? ? 1 +33023 C CB A LEU V 485 1.1700 1.6805 1.5369 0.0503 -0.1947 -0.0352 486 LEU b CB ? ? 1 +33024 C CB B LEU V 485 1.1666 1.6767 1.5332 0.0502 -0.1946 -0.0352 486 LEU b CB ? ? 1 +33025 C CG A LEU V 485 1.1567 1.6803 1.5432 0.0436 -0.1975 -0.0401 486 LEU b CG ? ? 1 +33026 C CG B LEU V 485 1.1495 1.6737 1.5369 0.0435 -0.1974 -0.0400 486 LEU b CG ? ? 1 +33027 C CD1 A LEU V 485 1.1398 1.6645 1.5350 0.0376 -0.1879 -0.0381 486 LEU b CD1 ? ? 1 +33028 C CD1 B LEU V 485 1.1273 1.6530 1.5239 0.0375 -0.1879 -0.0380 486 LEU b CD1 ? ? 1 +33029 C CD2 A LEU V 485 1.1735 1.6966 1.5559 0.0427 -0.2058 -0.0468 486 LEU b CD2 ? ? 1 +33030 C CD2 B LEU V 485 1.1688 1.6932 1.5531 0.0423 -0.2057 -0.0468 486 LEU b CD2 ? ? 1 +33031 N N . SER V 486 1.2642 1.7650 1.6031 0.0592 -0.2185 -0.0465 487 SER b N ? ? 1 +33032 C CA . SER V 486 1.2738 1.7651 1.5964 0.0611 -0.2240 -0.0506 487 SER b CA ? ? 1 +33033 C CB . SER V 486 1.2316 1.7327 1.5621 0.0605 -0.2360 -0.0578 487 SER b CB ? ? 1 +33034 O OG . SER V 486 1.2034 1.7106 1.5369 0.0656 -0.2425 -0.0573 487 SER b OG ? ? 1 +33035 C C . SER V 486 1.3221 1.8068 1.6410 0.0562 -0.2176 -0.0515 487 SER b C ? ? 1 +33036 O O . SER V 486 1.3199 1.8132 1.6541 0.0497 -0.2167 -0.0545 487 SER b O ? ? 1 +33037 N N . PRO V 487 1.3679 1.8371 1.6667 0.0593 -0.2125 -0.0487 488 PRO b N ? ? 1 +33038 C CA . PRO V 487 1.3471 1.8097 1.6422 0.0551 -0.2059 -0.0492 488 PRO b CA ? ? 1 +33039 C CB . PRO V 487 1.3333 1.7789 1.6046 0.0605 -0.2011 -0.0454 488 PRO b CB ? ? 1 +33040 C CG . PRO V 487 1.3450 1.7892 1.6106 0.0666 -0.2022 -0.0410 488 PRO b CG ? ? 1 +33041 C CD . PRO V 487 1.3669 1.8240 1.6455 0.0669 -0.2126 -0.0448 488 PRO b CD ? ? 1 +33042 C C . PRO V 487 1.3706 1.8355 1.6682 0.0512 -0.2126 -0.0565 488 PRO b C ? ? 1 +33043 O O . PRO V 487 1.3410 1.8045 1.6420 0.0462 -0.2078 -0.0578 488 PRO b O ? ? 1 +33044 N N . GLU V 488 1.3771 1.8457 1.6734 0.0536 -0.2239 -0.0613 489 GLU b N ? ? 1 +33045 C CA . GLU V 488 1.3522 1.8245 1.6523 0.0499 -0.2317 -0.0688 489 GLU b CA ? ? 1 +33046 C CB . GLU V 488 1.3959 1.8683 1.6878 0.0551 -0.2440 -0.0730 489 GLU b CB ? ? 1 +33047 C CG . GLU V 488 1.4057 1.8622 1.6717 0.0629 -0.2449 -0.0707 489 GLU b CG ? ? 1 +33048 C CD . GLU V 488 1.4008 1.8572 1.6583 0.0682 -0.2577 -0.0751 489 GLU b CD ? ? 1 +33049 O OE1 . GLU V 488 1.3507 1.8211 1.6239 0.0664 -0.2660 -0.0797 489 GLU b OE1 ? ? 1 +33050 O OE2 . GLU V 488 1.4207 1.8630 1.6556 0.0743 -0.2592 -0.0741 489 GLU b OE2 ? ? 1 +33051 C C . GLU V 488 1.2777 1.7659 1.6029 0.0425 -0.2321 -0.0718 489 GLU b C ? ? 1 +33052 O O . GLU V 488 1.2468 1.7368 1.5772 0.0371 -0.2337 -0.0767 489 GLU b O ? ? 1 +33053 N N . GLN V 489 1.2330 1.7325 1.5735 0.0423 -0.2308 -0.0689 490 GLN b N ? ? 1 +33054 C CA . GLN V 489 1.2036 1.7181 1.5678 0.0355 -0.2304 -0.0710 490 GLN b CA ? ? 1 +33055 C CB . GLN V 489 1.2090 1.7346 1.5862 0.0374 -0.2305 -0.0677 490 GLN b CB ? ? 1 +33056 C CG . GLN V 489 1.2019 1.7434 1.6039 0.0306 -0.2297 -0.0698 490 GLN b CG ? ? 1 +33057 C CD . GLN V 489 1.1936 1.7466 1.6079 0.0331 -0.2323 -0.0680 490 GLN b CD ? ? 1 +33058 O OE1 . GLN V 489 1.1756 1.7319 1.5875 0.0378 -0.2412 -0.0705 490 GLN b OE1 ? ? 1 +33059 N NE2 . GLN V 489 1.1475 1.7067 1.5749 0.0303 -0.2246 -0.0638 490 GLN b NE2 ? ? 1 +33060 C C . GLN V 489 1.1705 1.6837 1.5413 0.0293 -0.2205 -0.0692 490 GLN b C ? ? 1 +33061 O O . GLN V 489 1.1588 1.6808 1.5451 0.0228 -0.2209 -0.0728 490 GLN b O ? ? 1 +33062 N N A VAL V 490 1.1689 1.6709 1.5280 0.0314 -0.2115 -0.0637 491 VAL b N ? ? 1 +33063 N N B VAL V 490 1.1567 1.6587 1.5156 0.0315 -0.2116 -0.0637 491 VAL b N ? ? 1 +33064 C CA A VAL V 490 1.1382 1.6386 1.5028 0.0266 -0.2016 -0.0612 491 VAL b CA ? ? 1 +33065 C CA B VAL V 490 1.1117 1.6120 1.4760 0.0267 -0.2017 -0.0611 491 VAL b CA ? ? 1 +33066 C C A VAL V 490 1.1412 1.6289 1.4917 0.0255 -0.1990 -0.0631 491 VAL b C ? ? 1 +33067 C C B VAL V 490 1.1248 1.6129 1.4757 0.0255 -0.1993 -0.0632 491 VAL b C ? ? 1 +33068 O O A VAL V 490 1.1323 1.6195 1.4886 0.0207 -0.1928 -0.0629 491 VAL b O ? ? 1 +33069 O O B VAL V 490 1.1151 1.6031 1.4723 0.0204 -0.1935 -0.0634 491 VAL b O ? ? 1 +33070 C CB A VAL V 490 1.1244 1.6229 1.4885 0.0291 -0.1926 -0.0537 491 VAL b CB ? ? 1 +33071 C CB B VAL V 490 1.0773 1.5751 1.4402 0.0295 -0.1927 -0.0536 491 VAL b CB ? ? 1 +33072 C CG1 A VAL V 490 1.1142 1.6163 1.4908 0.0236 -0.1836 -0.0513 491 VAL b CG1 ? ? 1 +33073 C CG1 B VAL V 490 1.0511 1.5527 1.4267 0.0239 -0.1838 -0.0513 491 VAL b CG1 ? ? 1 +33074 C CG2 A VAL V 490 1.1179 1.6251 1.4896 0.0324 -0.1961 -0.0516 491 VAL b CG2 ? ? 1 +33075 C CG2 B VAL V 490 1.0743 1.5803 1.4440 0.0330 -0.1961 -0.0513 491 VAL b CG2 ? ? 1 +33076 N N . GLU V 491 1.1523 1.6295 1.4839 0.0304 -0.2039 -0.0648 492 GLU b N ? ? 1 +33077 C CA . GLU V 491 1.1734 1.6382 1.4906 0.0298 -0.2023 -0.0672 492 GLU b CA ? ? 1 +33078 C CB . GLU V 491 1.2230 1.6735 1.5161 0.0371 -0.2028 -0.0652 492 GLU b CB ? ? 1 +33079 C CG . GLU V 491 1.2160 1.6593 1.5015 0.0404 -0.1924 -0.0579 492 GLU b CG ? ? 1 +33080 C CD . GLU V 491 1.2470 1.6779 1.5106 0.0478 -0.1931 -0.0553 492 GLU b CD ? ? 1 +33081 O OE1 . GLU V 491 1.2766 1.6973 1.5238 0.0501 -0.1972 -0.0587 492 GLU b OE1 ? ? 1 +33082 O OE2 . GLU V 491 1.2396 1.6706 1.5020 0.0514 -0.1895 -0.0499 492 GLU b OE2 ? ? 1 +33083 C C . GLU V 491 1.1511 1.6198 1.4731 0.0255 -0.2107 -0.0749 492 GLU b C ? ? 1 +33084 O O . GLU V 491 1.1604 1.6391 1.4914 0.0252 -0.2193 -0.0785 492 GLU b O ? ? 1 +33085 N N A TRP V 492 1.1527 1.6134 1.4687 0.0223 -0.2082 -0.0775 493 TRP b N ? ? 1 +33086 N N B TRP V 492 1.1460 1.6068 1.4620 0.0223 -0.2082 -0.0776 493 TRP b N ? ? 1 +33087 C CA A TRP V 492 1.1469 1.6100 1.4671 0.0175 -0.2151 -0.0849 493 TRP b CA ? ? 1 +33088 C CA B TRP V 492 1.1341 1.5975 1.4547 0.0174 -0.2152 -0.0849 493 TRP b CA ? ? 1 +33089 C C A TRP V 492 1.1672 1.6226 1.4705 0.0216 -0.2243 -0.0895 493 TRP b C ? ? 1 +33090 C C B TRP V 492 1.1611 1.6166 1.4646 0.0216 -0.2243 -0.0894 493 TRP b C ? ? 1 +33091 O O A TRP V 492 1.1857 1.6287 1.4695 0.0275 -0.2228 -0.0870 493 TRP b O ? ? 1 +33092 O O B TRP V 492 1.1813 1.6246 1.4654 0.0276 -0.2228 -0.0868 493 TRP b O ? ? 1 +33093 C CB A TRP V 492 1.1432 1.5999 1.4632 0.0124 -0.2084 -0.0859 493 TRP b CB ? ? 1 +33094 C CB B TRP V 492 1.1222 1.5797 1.4432 0.0121 -0.2087 -0.0861 493 TRP b CB ? ? 1 +33095 C CG A TRP V 492 1.1143 1.5796 1.4527 0.0070 -0.2011 -0.0832 493 TRP b CG ? ? 1 +33096 C CG B TRP V 492 1.0819 1.5480 1.4214 0.0067 -0.2014 -0.0833 493 TRP b CG ? ? 1 +33097 C CD1 A TRP V 492 1.0927 1.5667 1.4476 -0.0002 -0.2024 -0.0869 493 TRP b CD1 ? ? 1 +33098 C CD1 B TRP V 492 1.0523 1.5277 1.4088 -0.0004 -0.2027 -0.0870 493 TRP b CD1 ? ? 1 +33099 C CD2 A TRP V 492 1.0934 1.5586 1.4347 0.0083 -0.1913 -0.0762 493 TRP b CD2 ? ? 1 +33100 C CD2 B TRP V 492 1.0518 1.5175 1.3938 0.0081 -0.1914 -0.0764 493 TRP b CD2 ? ? 1 +33101 N NE1 A TRP V 492 1.0758 1.5549 1.4432 -0.0032 -0.1940 -0.0826 493 TRP b NE1 ? ? 1 +33102 N NE1 B TRP V 492 1.0328 1.5132 1.4018 -0.0033 -0.1944 -0.0827 493 TRP b NE1 ? ? 1 +33103 C CE2 A TRP V 492 1.0760 1.5501 1.4357 0.0020 -0.1873 -0.0761 493 TRP b CE2 ? ? 1 +33104 C CE2 B TRP V 492 1.0315 1.5064 1.3922 0.0018 -0.1875 -0.0762 493 TRP b CE2 ? ? 1 +33105 C CE3 A TRP V 492 1.0961 1.5547 1.4264 0.0142 -0.1855 -0.0702 493 TRP b CE3 ? ? 1 +33106 C CE3 B TRP V 492 1.0515 1.5099 1.3820 0.0139 -0.1853 -0.0703 493 TRP b CE3 ? ? 1 +33107 C CZ2 A TRP V 492 1.0650 1.5416 1.4320 0.0016 -0.1781 -0.0703 493 TRP b CZ2 ? ? 1 +33108 C CZ2 B TRP V 492 1.0166 1.4938 1.3845 0.0014 -0.1782 -0.0703 493 TRP b CZ2 ? ? 1 +33109 C CZ3 A TRP V 492 1.0837 1.5452 1.4221 0.0134 -0.1763 -0.0645 493 TRP b CZ3 ? ? 1 +33110 C CZ3 B TRP V 492 1.0365 1.4977 1.3749 0.0132 -0.1760 -0.0647 493 TRP b CZ3 ? ? 1 +33111 C CH2 A TRP V 492 1.0685 1.5389 1.4250 0.0073 -0.1729 -0.0646 493 TRP b CH2 ? ? 1 +33112 C CH2 B TRP V 492 1.0176 1.4881 1.3744 0.0071 -0.1728 -0.0647 493 TRP b CH2 ? ? 1 +33113 N N . GLY V 493 1.1672 1.6300 1.4783 0.0183 -0.2339 -0.0963 494 GLY b N ? ? 1 +33114 C CA . GLY V 493 1.1700 1.6260 1.4665 0.0211 -0.2434 -0.1018 494 GLY b CA ? ? 1 +33115 C C . GLY V 493 1.1547 1.6179 1.4516 0.0259 -0.2536 -0.1035 494 GLY b C ? ? 1 +33116 O O . GLY V 493 1.1320 1.5934 1.4216 0.0270 -0.2632 -0.1094 494 GLY b O ? ? 1 +33117 N N . PHE V 494 1.1554 1.6264 1.4606 0.0287 -0.2515 -0.0985 495 PHE b N ? ? 1 +33118 C CA . PHE V 494 1.1691 1.6445 1.4716 0.0348 -0.2599 -0.0987 495 PHE b CA ? ? 1 +33119 C CB . PHE V 494 1.1812 1.6553 1.4809 0.0401 -0.2534 -0.0907 495 PHE b CB ? ? 1 +33120 C CG . PHE V 494 1.2296 1.6863 1.5070 0.0449 -0.2463 -0.0858 495 PHE b CG ? ? 1 +33121 C CD1 . PHE V 494 1.2313 1.6812 1.5069 0.0415 -0.2357 -0.0830 495 PHE b CD1 ? ? 1 +33122 C CD2 . PHE V 494 1.2574 1.7046 1.5156 0.0529 -0.2499 -0.0840 495 PHE b CD2 ? ? 1 +33123 C CE1 . PHE V 494 1.2463 1.6809 1.5021 0.0459 -0.2289 -0.0786 495 PHE b CE1 ? ? 1 +33124 C CE2 . PHE V 494 1.2772 1.7082 1.5147 0.0571 -0.2428 -0.0795 495 PHE b CE2 ? ? 1 +33125 C CZ . PHE V 494 1.2642 1.6894 1.5011 0.0535 -0.2322 -0.0769 495 PHE b CZ ? ? 1 +33126 C C . PHE V 494 1.1388 1.6318 1.4619 0.0313 -0.2686 -0.1040 495 PHE b C ? ? 1 +33127 O O . PHE V 494 1.1040 1.5993 1.4232 0.0342 -0.2793 -0.1088 495 PHE b O ? ? 1 +33128 N N . TYR V 495 1.1074 1.6126 1.4520 0.0251 -0.2639 -0.1032 496 TYR b N ? ? 1 +33129 C CA . TYR V 495 1.0691 1.5916 1.4350 0.0210 -0.2707 -0.1080 496 TYR b CA ? ? 1 +33130 C CB . TYR V 495 1.0635 1.5981 1.4464 0.0208 -0.2662 -0.1032 496 TYR b CB ? ? 1 +33131 C CG . TYR V 495 1.0920 1.6240 1.4662 0.0292 -0.2662 -0.0976 496 TYR b CG ? ? 1 +33132 C CD1 . TYR V 495 1.1331 1.6555 1.4876 0.0367 -0.2726 -0.0981 496 TYR b CD1 ? ? 1 +33133 C CD2 . TYR V 495 1.0768 1.6154 1.4620 0.0297 -0.2597 -0.0918 496 TYR b CD2 ? ? 1 +33134 C CE1 . TYR V 495 1.1382 1.6573 1.4841 0.0444 -0.2724 -0.0929 496 TYR b CE1 ? ? 1 +33135 C CE2 . TYR V 495 1.0824 1.6181 1.4595 0.0371 -0.2596 -0.0868 496 TYR b CE2 ? ? 1 +33136 C CZ . TYR V 495 1.1253 1.6511 1.4827 0.0444 -0.2658 -0.0872 496 TYR b CZ ? ? 1 +33137 O OH . TYR V 495 1.1459 1.6679 1.4946 0.0518 -0.2654 -0.0821 496 TYR b OH ? ? 1 +33138 C C . TYR V 495 1.0421 1.5680 1.4189 0.0119 -0.2701 -0.1134 496 TYR b C ? ? 1 +33139 O O . TYR V 495 1.0202 1.5398 1.3964 0.0080 -0.2610 -0.1109 496 TYR b O ? ? 1 +33140 N N . GLN V 496 1.0373 1.5732 1.4241 0.0087 -0.2797 -0.1208 497 GLN b N ? ? 1 +33141 C CA . GLN V 496 1.0256 1.5660 1.4244 -0.0003 -0.2798 -0.1263 497 GLN b CA ? ? 1 +33142 C CB . GLN V 496 1.0440 1.5933 1.4491 -0.0022 -0.2922 -0.1350 497 GLN b CB ? ? 1 +33143 C CG . GLN V 496 1.0727 1.6110 1.4566 0.0036 -0.3006 -0.1383 497 GLN b CG ? ? 1 +33144 C CD . GLN V 496 1.0884 1.6377 1.4802 0.0026 -0.3137 -0.1466 497 GLN b CD ? ? 1 +33145 O OE1 . GLN V 496 1.0927 1.6474 1.4950 -0.0050 -0.3167 -0.1531 497 GLN b OE1 ? ? 1 +33146 N NE2 . GLN V 496 1.0928 1.6456 1.4798 0.0103 -0.3218 -0.1468 497 GLN b NE2 ? ? 1 +33147 C C . GLN V 496 0.9881 1.5401 1.4086 -0.0064 -0.2724 -0.1237 497 GLN b C ? ? 1 +33148 O O . GLN V 496 0.9537 1.5019 1.3776 -0.0124 -0.2650 -0.1232 497 GLN b O ? ? 1 +33149 N N . LYS V 497 0.9875 1.5531 1.4219 -0.0045 -0.2745 -0.1222 498 LYS b N ? ? 1 +33150 C CA . LYS V 497 0.9721 1.5488 1.4262 -0.0090 -0.2675 -0.1190 498 LYS b CA ? ? 1 +33151 C CB . LYS V 497 0.9528 1.5484 1.4274 -0.0111 -0.2749 -0.1235 498 LYS b CB ? ? 1 +33152 C CG . LYS V 497 0.9311 1.5391 1.4269 -0.0160 -0.2683 -0.1209 498 LYS b CG ? ? 1 +33153 C CD . LYS V 497 0.9220 1.5487 1.4368 -0.0167 -0.2759 -0.1252 498 LYS b CD ? ? 1 +33154 C CE . LYS V 497 0.9047 1.5439 1.4408 -0.0220 -0.2696 -0.1233 498 LYS b CE ? ? 1 +33155 N NZ . LYS V 497 0.9012 1.5585 1.4553 -0.0222 -0.2771 -0.1277 498 LYS b NZ ? ? 1 +33156 C C . LYS V 497 0.9680 1.5400 1.4163 -0.0034 -0.2596 -0.1104 498 LYS b C ? ? 1 +33157 O O . LYS V 497 0.9692 1.5398 1.4090 0.0041 -0.2632 -0.1079 498 LYS b O ? ? 1 +33158 N N . VAL V 498 0.9698 1.5391 1.4224 -0.0072 -0.2490 -0.1058 499 VAL b N ? ? 1 +33159 C CA . VAL V 498 0.9784 1.5420 1.4248 -0.0027 -0.2407 -0.0978 499 VAL b CA ? ? 1 +33160 C CB . VAL V 498 0.9364 1.4959 1.3868 -0.0079 -0.2295 -0.0942 499 VAL b CB ? ? 1 +33161 C CG1 . VAL V 498 0.9156 1.4721 1.3635 -0.0039 -0.2210 -0.0861 499 VAL b CG1 ? ? 1 +33162 C CG2 . VAL V 498 0.9352 1.4807 1.3713 -0.0097 -0.2275 -0.0961 499 VAL b CG2 ? ? 1 +33163 C C . VAL V 498 1.0091 1.5847 1.4670 0.0006 -0.2424 -0.0951 499 VAL b C ? ? 1 +33164 O O . VAL V 498 1.0290 1.6186 1.5064 -0.0038 -0.2435 -0.0973 499 VAL b O ? ? 1 +33165 N N . GLY V 499 1.0381 1.6078 1.4834 0.0085 -0.2425 -0.0906 500 GLY b N ? ? 1 +33166 C CA . GLY V 499 1.0356 1.6146 1.4893 0.0125 -0.2437 -0.0875 500 GLY b CA ? ? 1 +33167 C C . GLY V 499 1.0371 1.6243 1.4931 0.0165 -0.2554 -0.0921 500 GLY b C ? ? 1 +33168 O O . GLY V 499 1.0386 1.6297 1.4955 0.0220 -0.2573 -0.0892 500 GLY b O ? ? 1 +33169 N N . ASP V 500 1.0678 1.6573 1.5245 0.0138 -0.2634 -0.0993 501 ASP b N ? ? 1 +33170 C CA . ASP V 500 1.0807 1.6791 1.5408 0.0171 -0.2753 -0.1046 501 ASP b CA ? ? 1 +33171 C CB . ASP V 500 1.0747 1.6839 1.5500 0.0095 -0.2808 -0.1127 501 ASP b CB ? ? 1 +33172 C CG . ASP V 500 1.0968 1.7203 1.5829 0.0114 -0.2924 -0.1185 501 ASP b CG ? ? 1 +33173 O OD1 . ASP V 500 1.1274 1.7481 1.6024 0.0195 -0.2992 -0.1182 501 ASP b OD1 ? ? 1 +33174 O OD2 . ASP V 500 1.1165 1.7537 1.6220 0.0048 -0.2947 -0.1236 501 ASP b OD2 ? ? 1 +33175 C C . ASP V 500 1.0952 1.6806 1.5320 0.0246 -0.2815 -0.1051 501 ASP b C ? ? 1 +33176 O O . ASP V 500 1.1057 1.6815 1.5305 0.0232 -0.2833 -0.1083 501 ASP b O ? ? 1 +33177 N N . VAL V 501 1.0924 1.6772 1.5225 0.0327 -0.2846 -0.1018 502 VAL b N ? ? 1 +33178 C CA . VAL V 501 1.0932 1.6644 1.4997 0.0407 -0.2892 -0.1009 502 VAL b CA ? ? 1 +33179 C CB . VAL V 501 1.0875 1.6559 1.4873 0.0487 -0.2875 -0.0943 502 VAL b CB ? ? 1 +33180 C CG1 . VAL V 501 1.0817 1.6667 1.4986 0.0506 -0.2941 -0.0961 502 VAL b CG1 ? ? 1 +33181 C CG2 . VAL V 501 1.0974 1.6499 1.4710 0.0569 -0.2911 -0.0927 502 VAL b CG2 ? ? 1 +33182 C C . VAL V 501 1.0986 1.6730 1.5019 0.0425 -0.3023 -0.1086 502 VAL b C ? ? 1 +33183 O O . VAL V 501 1.1350 1.6965 1.5175 0.0473 -0.3063 -0.1094 502 VAL b O ? ? 1 +33184 N N . THR V 502 1.0616 1.6530 1.4854 0.0384 -0.3088 -0.1145 503 THR b N ? ? 1 +33185 C CA . THR V 502 1.0559 1.6527 1.4798 0.0393 -0.3215 -0.1225 503 THR b CA ? ? 1 +33186 C CB . THR V 502 1.0018 1.6204 1.4512 0.0366 -0.3279 -0.1274 503 THR b CB ? ? 1 +33187 O OG1 . THR V 502 0.9648 1.5922 1.4330 0.0263 -0.3228 -0.1301 503 THR b OG1 ? ? 1 +33188 C CG2 . THR V 502 0.9737 1.5997 1.4307 0.0419 -0.3264 -0.1224 503 THR b CG2 ? ? 1 +33189 C C . THR V 502 1.0669 1.6572 1.4851 0.0335 -0.3229 -0.1280 503 THR b C ? ? 1 +33190 O O . THR V 502 1.0444 1.6383 1.4620 0.0336 -0.3333 -0.1351 503 THR b O ? ? 1 +33191 N N . THR V 503 1.0751 1.6558 1.4890 0.0286 -0.3124 -0.1248 504 THR b N ? ? 1 +33192 C CA . THR V 503 1.0807 1.6538 1.4886 0.0230 -0.3124 -0.1293 504 THR b CA ? ? 1 +33193 C CB . THR V 503 1.0646 1.6450 1.4913 0.0127 -0.3050 -0.1303 504 THR b CB ? ? 1 +33194 O OG1 . THR V 503 1.0387 1.6171 1.4686 0.0124 -0.2934 -0.1226 504 THR b OG1 ? ? 1 +33195 C CG2 . THR V 503 1.0497 1.6497 1.5006 0.0073 -0.3114 -0.1366 504 THR b CG2 ? ? 1 +33196 C C . THR V 503 1.0699 1.6222 1.4523 0.0267 -0.3071 -0.1254 504 THR b C ? ? 1 +33197 O O . THR V 503 1.0508 1.5954 1.4298 0.0214 -0.3012 -0.1258 504 THR b O ? ? 1 +33198 N N . ARG V 504 1.0827 1.6259 1.4471 0.0358 -0.3094 -0.1218 505 ARG b N ? ? 1 +33199 C CA . ARG V 504 1.1036 1.6270 1.4427 0.0398 -0.3052 -0.1185 505 ARG b CA ? ? 1 +33200 C CB . ARG V 504 1.1292 1.6445 1.4521 0.0497 -0.3053 -0.1126 505 ARG b CB ? ? 1 +33201 C CG . ARG V 504 1.1578 1.6524 1.4551 0.0539 -0.2984 -0.1078 505 ARG b CG ? ? 1 +33202 C CD . ARG V 504 1.1891 1.6714 1.4625 0.0613 -0.3068 -0.1101 505 ARG b CD ? ? 1 +33203 N NE . ARG V 504 1.2066 1.6903 1.4790 0.0587 -0.3166 -0.1186 505 ARG b NE ? ? 1 +33204 C CZ . ARG V 504 1.1970 1.6729 1.4635 0.0538 -0.3145 -0.1219 505 ARG b CZ ? ? 1 +33205 N NH1 . ARG V 504 1.1981 1.6654 1.4610 0.0506 -0.3027 -0.1176 505 ARG b NH1 ? ? 1 +33206 N NH2 . ARG V 504 1.1946 1.6717 1.4593 0.0521 -0.3245 -0.1299 505 ARG b NH2 ? ? 1 +33207 C C . ARG V 504 1.1067 1.6229 1.4338 0.0390 -0.3131 -0.1256 505 ARG b C ? ? 1 +33208 O O . ARG V 504 1.0938 1.5991 1.4119 0.0355 -0.3079 -0.1260 505 ARG b O ? ? 1 +33209 O OXT . ARG V 504 1.1138 1.6351 1.4402 0.0418 -0.3247 -0.1311 505 ARG b OXT ? ? 1 +33210 N N . ASN W 1 1.4529 1.5232 1.2674 0.1146 -0.0667 -0.0895 19 ASN c N ? ? 1 +33211 C CA . ASN W 1 1.4450 1.5169 1.2573 0.1126 -0.0798 -0.0921 19 ASN c CA ? ? 1 +33212 C CB . ASN W 1 1.4634 1.5243 1.2521 0.1184 -0.0804 -0.0906 19 ASN c CB ? ? 1 +33213 C CG . ASN W 1 1.4539 1.5191 1.2441 0.1214 -0.0706 -0.0831 19 ASN c CG ? ? 1 +33214 O OD1 . ASN W 1 1.4355 1.5145 1.2432 0.1188 -0.0715 -0.0791 19 ASN c OD1 ? ? 1 +33215 N ND2 . ASN W 1 1.4646 1.5180 1.2366 0.1268 -0.0609 -0.0811 19 ASN c ND2 ? ? 1 +33216 C C . ASN W 1 1.4102 1.5009 1.2483 0.1074 -0.0842 -0.0894 19 ASN c C ? ? 1 +33217 O O . ASN W 1 1.4251 1.5212 1.2724 0.1028 -0.0948 -0.0935 19 ASN c O ? ? 1 +33218 N N . SER W 2 1.3651 1.4656 1.2150 0.1079 -0.0759 -0.0828 20 SER c N ? ? 1 +33219 C CA . SER W 2 1.3169 1.4347 1.1903 0.1035 -0.0790 -0.0797 20 SER c CA ? ? 1 +33220 C CB . SER W 2 1.3203 1.4411 1.1911 0.1066 -0.0752 -0.0735 20 SER c CB ? ? 1 +33221 O OG . SER W 2 1.2964 1.4343 1.1913 0.1027 -0.0747 -0.0696 20 SER c OG ? ? 1 +33222 C C . SER W 2 1.2730 1.4030 1.1699 0.0997 -0.0724 -0.0776 20 SER c C ? ? 1 +33223 O O . SER W 2 1.2748 1.4008 1.1697 0.1017 -0.0624 -0.0763 20 SER c O ? ? 1 +33224 N N . ILE W 3 1.2239 1.3687 1.1426 0.0944 -0.0779 -0.0770 21 ILE c N ? ? 1 +33225 C CA . ILE W 3 1.1909 1.3481 1.1326 0.0906 -0.0724 -0.0747 21 ILE c CA ? ? 1 +33226 C CB . ILE W 3 1.1657 1.3361 1.1279 0.0841 -0.0819 -0.0766 21 ILE c CB ? ? 1 +33227 C CG1 . ILE W 3 1.1501 1.3299 1.1330 0.0800 -0.0769 -0.0758 21 ILE c CG1 ? ? 1 +33228 C CG2 . ILE W 3 1.1478 1.3286 1.1181 0.0835 -0.0860 -0.0730 21 ILE c CG2 ? ? 1 +33229 C CD1 . ILE W 3 1.1340 1.3251 1.1361 0.0734 -0.0853 -0.0782 21 ILE c CD1 ? ? 1 +33230 C C . ILE W 3 1.1706 1.3347 1.1196 0.0927 -0.0616 -0.0677 21 ILE c C ? ? 1 +33231 O O . ILE W 3 1.1535 1.3247 1.1169 0.0914 -0.0541 -0.0654 21 ILE c O ? ? 1 +33232 N N . PHE W 4 1.1551 1.3170 1.0940 0.0961 -0.0608 -0.0643 22 PHE c N ? ? 1 +33233 C CA . PHE W 4 1.1320 1.2994 1.0760 0.0981 -0.0507 -0.0577 22 PHE c CA ? ? 1 +33234 C CB . PHE W 4 1.1257 1.3008 1.0749 0.0973 -0.0559 -0.0545 22 PHE c CB ? ? 1 +33235 C CG . PHE W 4 1.1162 1.3055 1.0869 0.0917 -0.0645 -0.0555 22 PHE c CG ? ? 1 +33236 C CD1 . PHE W 4 1.0941 1.2976 1.0881 0.0880 -0.0600 -0.0524 22 PHE c CD1 ? ? 1 +33237 C CD2 . PHE W 4 1.1238 1.3126 1.0915 0.0901 -0.0770 -0.0596 22 PHE c CD2 ? ? 1 +33238 C CE1 . PHE W 4 1.0722 1.2886 1.0856 0.0828 -0.0676 -0.0532 22 PHE c CE1 ? ? 1 +33239 C CE2 . PHE W 4 1.1003 1.3026 1.0881 0.0849 -0.0845 -0.0606 22 PHE c CE2 ? ? 1 +33240 C CZ . PHE W 4 1.0744 1.2903 1.0848 0.0813 -0.0795 -0.0573 22 PHE c CZ ? ? 1 +33241 C C . PHE W 4 1.1340 1.2882 1.0572 0.1040 -0.0413 -0.0560 22 PHE c C ? ? 1 +33242 O O . PHE W 4 1.1273 1.2833 1.0495 0.1063 -0.0338 -0.0508 22 PHE c O ? ? 1 +33243 N N . ALA W 5 1.1390 1.2799 1.0458 0.1064 -0.0413 -0.0605 23 ALA c N ? ? 1 +33244 C CA . ALA W 5 1.1526 1.2795 1.0373 0.1122 -0.0333 -0.0598 23 ALA c CA ? ? 1 +33245 C CB . ALA W 5 1.1730 1.2850 1.0391 0.1141 -0.0377 -0.0661 23 ALA c CB ? ? 1 +33246 C C . ALA W 5 1.1328 1.2628 1.0238 0.1141 -0.0192 -0.0558 23 ALA c C ? ? 1 +33247 O O . ALA W 5 1.1486 1.2703 1.0247 0.1186 -0.0110 -0.0534 23 ALA c O ? ? 1 +33248 N N . THR W 6 1.0977 1.2393 1.0102 0.1106 -0.0165 -0.0553 24 THR c N ? ? 1 +33249 C CA . THR W 6 1.0814 1.2279 1.0026 0.1120 -0.0039 -0.0519 24 THR c CA ? ? 1 +33250 C CB . THR W 6 1.0667 1.2167 1.0004 0.1099 -0.0033 -0.0550 24 THR c CB ? ? 1 +33251 O OG1 . THR W 6 1.0421 1.2062 0.9981 0.1043 -0.0094 -0.0546 24 THR c OG1 ? ? 1 +33252 C CG2 . THR W 6 1.0820 1.2178 0.9994 0.1111 -0.0085 -0.0613 24 THR c CG2 ? ? 1 +33253 C C . THR W 6 1.0567 1.2174 0.9953 0.1101 0.0005 -0.0459 24 THR c C ? ? 1 +33254 O O . THR W 6 1.0534 1.2203 0.9979 0.1076 -0.0064 -0.0445 24 THR c O ? ? 1 +33255 N N . ASN W 7 1.0434 1.2093 0.9902 0.1115 0.0121 -0.0426 25 ASN c N ? ? 1 +33256 C CA . ASN W 7 1.0135 1.1938 0.9789 0.1093 0.0170 -0.0372 25 ASN c CA ? ? 1 +33257 C CB . ASN W 7 1.0194 1.1987 0.9815 0.1129 0.0308 -0.0335 25 ASN c CB ? ? 1 +33258 C CG . ASN W 7 1.0207 1.1997 0.9866 0.1148 0.0384 -0.0353 25 ASN c CG ? ? 1 +33259 O OD1 . ASN W 7 1.0201 1.1986 0.9904 0.1136 0.0340 -0.0393 25 ASN c OD1 ? ? 1 +33260 N ND2 . ASN W 7 1.0231 1.2023 0.9873 0.1178 0.0502 -0.0324 25 ASN c ND2 ? ? 1 +33261 C C . ASN W 7 0.9817 1.1764 0.9723 0.1046 0.0146 -0.0374 25 ASN c C ? ? 1 +33262 O O . ASN W 7 0.9682 1.1754 0.9759 0.1028 0.0194 -0.0333 25 ASN c O ? ? 1 +33263 N N . ARG W 8 0.9711 1.1636 0.9634 0.1026 0.0070 -0.0422 26 ARG c N ? ? 1 +33264 C CA . ARG W 8 0.9410 1.1451 0.9550 0.0984 0.0050 -0.0429 26 ARG c CA ? ? 1 +33265 C CB . ARG W 8 0.9459 1.1425 0.9556 0.0994 0.0054 -0.0475 26 ARG c CB ? ? 1 +33266 C CG . ARG W 8 0.9633 1.1512 0.9603 0.1049 0.0160 -0.0472 26 ARG c CG ? ? 1 +33267 C CD . ARG W 8 0.9657 1.1494 0.9636 0.1059 0.0181 -0.0507 26 ARG c CD ? ? 1 +33268 N NE . ARG W 8 0.9827 1.1537 0.9660 0.1057 0.0102 -0.0564 26 ARG c NE ? ? 1 +33269 C CZ . ARG W 8 1.0028 1.1586 0.9630 0.1097 0.0107 -0.0590 26 ARG c CZ ? ? 1 +33270 N NH1 . ARG W 8 1.0133 1.1642 0.9615 0.1144 0.0189 -0.0564 26 ARG c NH1 ? ? 1 +33271 N NH2 . ARG W 8 1.0165 1.1616 0.9655 0.1090 0.0029 -0.0645 26 ARG c NH2 ? ? 1 +33272 C C . ARG W 8 0.9246 1.1360 0.9489 0.0934 -0.0064 -0.0439 26 ARG c C ? ? 1 +33273 O O . ARG W 8 0.9179 1.1293 0.9469 0.0904 -0.0135 -0.0478 26 ARG c O ? ? 1 +33274 N N . ASP W 9 0.9181 1.1351 0.9452 0.0927 -0.0078 -0.0402 27 ASP c N ? ? 1 +33275 C CA . ASP W 9 0.9124 1.1374 0.9497 0.0884 -0.0178 -0.0404 27 ASP c CA ? ? 1 +33276 C CB . ASP W 9 0.9405 1.1549 0.9600 0.0893 -0.0275 -0.0441 27 ASP c CB ? ? 1 +33277 C CG . ASP W 9 0.9663 1.1690 0.9637 0.0944 -0.0243 -0.0427 27 ASP c CG ? ? 1 +33278 O OD1 . ASP W 9 0.9738 1.1802 0.9724 0.0954 -0.0206 -0.0380 27 ASP c OD1 ? ? 1 +33279 O OD2 . ASP W 9 0.9970 1.1861 0.9755 0.0974 -0.0255 -0.0464 27 ASP c OD2 ? ? 1 +33280 C C . ASP W 9 0.8890 1.1248 0.9376 0.0875 -0.0146 -0.0348 27 ASP c C ? ? 1 +33281 O O . ASP W 9 0.8911 1.1267 0.9372 0.0903 -0.0050 -0.0309 27 ASP c O ? ? 1 +33282 N N . GLN W 10 0.8642 1.1095 0.9255 0.0836 -0.0224 -0.0344 28 GLN c N ? ? 1 +33283 C CA . GLN W 10 0.8449 1.1009 0.9182 0.0823 -0.0203 -0.0293 28 GLN c CA ? ? 1 +33284 C CB . GLN W 10 0.8234 1.0908 0.9137 0.0774 -0.0294 -0.0300 28 GLN c CB ? ? 1 +33285 C CG . GLN W 10 0.8086 1.0871 0.9117 0.0760 -0.0274 -0.0249 28 GLN c CG ? ? 1 +33286 C CD . GLN W 10 0.7912 1.0824 0.9142 0.0710 -0.0342 -0.0254 28 GLN c CD ? ? 1 +33287 O OE1 . GLN W 10 0.7953 1.0868 0.9217 0.0685 -0.0410 -0.0296 28 GLN c OE1 ? ? 1 +33288 N NE2 . GLN W 10 0.7764 1.0781 0.9128 0.0694 -0.0323 -0.0211 28 GLN c NE2 ? ? 1 +33289 C C . GLN W 10 0.8610 1.1099 0.9184 0.0858 -0.0192 -0.0266 28 GLN c C ? ? 1 +33290 O O . GLN W 10 0.8587 1.1130 0.9216 0.0860 -0.0135 -0.0218 28 GLN c O ? ? 1 +33291 N N . GLU W 11 0.8823 1.1186 0.9197 0.0883 -0.0250 -0.0298 29 GLU c N ? ? 1 +33292 C CA . GLU W 11 0.8982 1.1264 0.9186 0.0918 -0.0253 -0.0276 29 GLU c CA ? ? 1 +33293 C CB . GLU W 11 0.9225 1.1395 0.9250 0.0934 -0.0358 -0.0325 29 GLU c CB ? ? 1 +33294 C CG . GLU W 11 0.9500 1.1531 0.9278 0.0985 -0.0352 -0.0316 29 GLU c CG ? ? 1 +33295 C CD . GLU W 11 0.9783 1.1666 0.9358 0.1026 -0.0294 -0.0336 29 GLU c CD ? ? 1 +33296 O OE1 . GLU W 11 0.9948 1.1813 0.9539 0.1018 -0.0289 -0.0374 29 GLU c OE1 ? ? 1 +33297 O OE2 . GLU W 11 1.0008 1.1788 0.9399 0.1069 -0.0252 -0.0314 29 GLU c OE2 ? ? 1 +33298 C C . GLU W 11 0.9030 1.1241 0.9121 0.0958 -0.0130 -0.0243 29 GLU c C ? ? 1 +33299 O O . GLU W 11 0.9003 1.1218 0.9069 0.0971 -0.0086 -0.0198 29 GLU c O ? ? 1 +33300 N N . SER W 12 0.9108 1.1256 0.9138 0.0976 -0.0073 -0.0266 30 SER c N ? ? 1 +33301 C CA . SER W 12 0.9216 1.1305 0.9153 0.1013 0.0050 -0.0239 30 SER c CA ? ? 1 +33302 C CB . SER W 12 0.9434 1.1420 0.9253 0.1040 0.0078 -0.0280 30 SER c CB ? ? 1 +33303 O OG . SER W 12 0.9866 1.1711 0.9467 0.1065 0.0010 -0.0317 30 SER c OG ? ? 1 +33304 C C . SER W 12 0.8926 1.1141 0.9054 0.0996 0.0147 -0.0194 30 SER c C ? ? 1 +33305 O O . SER W 12 0.9020 1.1217 0.9099 0.1017 0.0237 -0.0156 30 SER c O ? ? 1 +33306 N N . SER W 13 0.8611 1.0950 0.8953 0.0958 0.0129 -0.0202 31 SER c N ? ? 1 +33307 C CA . SER W 13 0.8365 1.0817 0.8885 0.0945 0.0219 -0.0170 31 SER c CA ? ? 1 +33308 C CB . SER W 13 0.8250 1.0746 0.8885 0.0931 0.0216 -0.0203 31 SER c CB ? ? 1 +33309 O OG . SER W 13 0.8072 1.0644 0.8840 0.0887 0.0119 -0.0222 31 SER c OG ? ? 1 +33310 C C . SER W 13 0.8095 1.0684 0.8798 0.0909 0.0213 -0.0129 31 SER c C ? ? 1 +33311 O O . SER W 13 0.8010 1.0675 0.8819 0.0905 0.0299 -0.0093 31 SER c O ? ? 1 +33312 N N . GLY W 14 0.7948 1.0571 0.8695 0.0882 0.0108 -0.0138 32 GLY c N ? ? 1 +33313 C CA . GLY W 14 0.7672 1.0423 0.8595 0.0846 0.0091 -0.0104 32 GLY c CA ? ? 1 +33314 C C . GLY W 14 0.7390 1.0271 0.8539 0.0804 0.0064 -0.0114 32 GLY c C ? ? 1 +33315 O O . GLY W 14 0.7257 1.0244 0.8554 0.0772 0.0032 -0.0094 32 GLY c O ? ? 1 +33316 N N . PHE W 15 0.7318 1.0184 0.8484 0.0807 0.0079 -0.0146 33 PHE c N ? ? 1 +33317 C CA . PHE W 15 0.7085 1.0058 0.8447 0.0771 0.0063 -0.0156 33 PHE c CA ? ? 1 +33318 C CB . PHE W 15 0.7045 1.0031 0.8454 0.0788 0.0156 -0.0155 33 PHE c CB ? ? 1 +33319 C CG . PHE W 15 0.6937 1.0000 0.8433 0.0794 0.0252 -0.0108 33 PHE c CG ? ? 1 +33320 C CD1 . PHE W 15 0.6713 0.9914 0.8411 0.0759 0.0254 -0.0080 33 PHE c CD1 ? ? 1 +33321 C CD2 . PHE W 15 0.7066 1.0061 0.8441 0.0833 0.0343 -0.0092 33 PHE c CD2 ? ? 1 +33322 C CE1 . PHE W 15 0.6640 0.9913 0.8421 0.0762 0.0342 -0.0038 33 PHE c CE1 ? ? 1 +33323 C CE2 . PHE W 15 0.6987 1.0058 0.8449 0.0835 0.0434 -0.0051 33 PHE c CE2 ? ? 1 +33324 C CZ . PHE W 15 0.6766 0.9975 0.8431 0.0799 0.0432 -0.0025 33 PHE c CZ ? ? 1 +33325 C C . PHE W 15 0.7090 1.0030 0.8436 0.0752 -0.0036 -0.0207 33 PHE c C ? ? 1 +33326 O O . PHE W 15 0.7264 1.0087 0.8451 0.0775 -0.0053 -0.0242 33 PHE c O ? ? 1 +33327 N N . ALA W 16 0.6916 0.9960 0.8430 0.0708 -0.0096 -0.0210 34 ALA c N ? ? 1 +33328 C CA . ALA W 16 0.6930 0.9957 0.8455 0.0681 -0.0188 -0.0257 34 ALA c CA ? ? 1 +33329 C CB . ALA W 16 0.6757 0.9906 0.8458 0.0633 -0.0254 -0.0250 34 ALA c CB ? ? 1 +33330 C C . ALA W 16 0.6921 0.9921 0.8467 0.0682 -0.0158 -0.0285 34 ALA c C ? ? 1 +33331 O O . ALA W 16 0.6882 0.9912 0.8484 0.0697 -0.0072 -0.0264 34 ALA c O ? ? 1 +33332 N N . TRP W 17 0.6957 0.9902 0.8460 0.0665 -0.0229 -0.0333 35 TRP c N ? ? 1 +33333 C CA . TRP W 17 0.6968 0.9866 0.8467 0.0667 -0.0208 -0.0364 35 TRP c CA ? ? 1 +33334 C CB . TRP W 17 0.7041 0.9879 0.8492 0.0640 -0.0303 -0.0418 35 TRP c CB ? ? 1 +33335 C CG . TRP W 17 0.6866 0.9808 0.8482 0.0583 -0.0376 -0.0424 35 TRP c CG ? ? 1 +33336 C CD1 . TRP W 17 0.6827 0.9820 0.8473 0.0560 -0.0449 -0.0422 35 TRP c CD1 ? ? 1 +33337 N NE1 . TRP W 17 0.6665 0.9757 0.8482 0.0509 -0.0496 -0.0429 35 TRP c NE1 ? ? 1 +33338 C CE2 . TRP W 17 0.6604 0.9705 0.8500 0.0498 -0.0453 -0.0433 35 TRP c CE2 ? ? 1 +33339 C CZ2 . TRP W 17 0.6460 0.9639 0.8520 0.0452 -0.0473 -0.0439 35 TRP c CZ2 ? ? 1 +33340 C CH2 . TRP W 17 0.6440 0.9601 0.8536 0.0456 -0.0419 -0.0441 35 TRP c CH2 ? ? 1 +33341 C CZ3 . TRP W 17 0.6561 0.9635 0.8543 0.0506 -0.0346 -0.0439 35 TRP c CZ3 ? ? 1 +33342 C CE3 . TRP W 17 0.6701 0.9703 0.8526 0.0550 -0.0324 -0.0434 35 TRP c CE3 ? ? 1 +33343 C CD2 . TRP W 17 0.6727 0.9738 0.8503 0.0546 -0.0378 -0.0430 35 TRP c CD2 ? ? 1 +33344 C C . TRP W 17 0.6765 0.9768 0.8456 0.0647 -0.0163 -0.0345 35 TRP c C ? ? 1 +33345 O O . TRP W 17 0.6781 0.9750 0.8462 0.0669 -0.0106 -0.0351 35 TRP c O ? ? 1 +33346 N N A TRP W 18 0.6580 0.9707 0.8439 0.0609 -0.0191 -0.0322 36 TRP c N ? ? 1 +33347 N N B TRP W 18 0.6587 0.9714 0.8447 0.0609 -0.0192 -0.0322 36 TRP c N ? ? 1 +33348 C CA A TRP W 18 0.6400 0.9629 0.8443 0.0588 -0.0157 -0.0303 36 TRP c CA ? ? 1 +33349 C CA B TRP W 18 0.6413 0.9643 0.8457 0.0587 -0.0157 -0.0303 36 TRP c CA ? ? 1 +33350 C C A TRP W 18 0.6340 0.9621 0.8432 0.0618 -0.0057 -0.0260 36 TRP c C ? ? 1 +33351 C C B TRP W 18 0.6349 0.9631 0.8442 0.0618 -0.0057 -0.0260 36 TRP c C ? ? 1 +33352 O O A TRP W 18 0.6220 0.9575 0.8447 0.0611 -0.0017 -0.0246 36 TRP c O ? ? 1 +33353 O O B TRP W 18 0.6226 0.9584 0.8457 0.0610 -0.0019 -0.0245 36 TRP c O ? ? 1 +33354 C CB A TRP W 18 0.6231 0.9573 0.8434 0.0536 -0.0221 -0.0295 36 TRP c CB ? ? 1 +33355 C CB B TRP W 18 0.6252 0.9595 0.8458 0.0536 -0.0221 -0.0295 36 TRP c CB ? ? 1 +33356 C CG A TRP W 18 0.6213 0.9596 0.8411 0.0532 -0.0251 -0.0271 36 TRP c CG ? ? 1 +33357 C CG B TRP W 18 0.6240 0.9630 0.8449 0.0529 -0.0253 -0.0271 36 TRP c CG ? ? 1 +33358 C CD1 A TRP W 18 0.6273 0.9632 0.8412 0.0517 -0.0336 -0.0292 36 TRP c CD1 ? ? 1 +33359 C CD1 B TRP W 18 0.6294 0.9665 0.8453 0.0512 -0.0339 -0.0292 36 TRP c CD1 ? ? 1 +33360 C CD2 A TRP W 18 0.6127 0.9586 0.8387 0.0542 -0.0199 -0.0221 36 TRP c CD2 ? ? 1 +33361 C CD2 B TRP W 18 0.6160 0.9626 0.8433 0.0539 -0.0201 -0.0221 36 TRP c CD2 ? ? 1 +33362 N NE1 A TRP W 18 0.6236 0.9644 0.8388 0.0522 -0.0340 -0.0258 36 TRP c NE1 ? ? 1 +33363 N NE1 B TRP W 18 0.6255 0.9678 0.8433 0.0515 -0.0344 -0.0258 36 TRP c NE1 ? ? 1 +33364 C CE2 A TRP W 18 0.6143 0.9611 0.8369 0.0535 -0.0255 -0.0214 36 TRP c CE2 ? ? 1 +33365 C CE2 B TRP W 18 0.6166 0.9646 0.8413 0.0530 -0.0260 -0.0214 36 TRP c CE2 ? ? 1 +33366 C CE3 A TRP W 18 0.6035 0.9555 0.8378 0.0557 -0.0111 -0.0184 36 TRP c CE3 ? ? 1 +33367 C CE3 B TRP W 18 0.6075 0.9599 0.8425 0.0556 -0.0112 -0.0184 36 TRP c CE3 ? ? 1 +33368 C CZ2 A TRP W 18 0.6081 0.9607 0.8345 0.0542 -0.0224 -0.0169 36 TRP c CZ2 ? ? 1 +33369 C CZ2 B TRP W 18 0.6104 0.9645 0.8392 0.0536 -0.0230 -0.0170 36 TRP c CZ2 ? ? 1 +33370 C CZ3 A TRP W 18 0.5970 0.9552 0.8356 0.0560 -0.0080 -0.0141 36 TRP c CZ3 ? ? 1 +33371 C CZ3 B TRP W 18 0.6010 0.9598 0.8405 0.0558 -0.0083 -0.0141 36 TRP c CZ3 ? ? 1 +33372 C CH2 A TRP W 18 0.5997 0.9578 0.8340 0.0552 -0.0135 -0.0134 36 TRP c CH2 ? ? 1 +33373 C CH2 B TRP W 18 0.6028 0.9619 0.8388 0.0548 -0.0140 -0.0134 36 TRP c CH2 ? ? 1 +33374 N N . ALA W 19 0.6439 0.9678 0.8418 0.0651 -0.0017 -0.0240 37 ALA c N ? ? 1 +33375 C CA . ALA W 19 0.6402 0.9667 0.8394 0.0684 0.0086 -0.0206 37 ALA c CA ? ? 1 +33376 C CB . ALA W 19 0.6318 0.9663 0.8372 0.0676 0.0105 -0.0161 37 ALA c CB ? ? 1 +33377 C C . ALA W 19 0.6587 0.9721 0.8381 0.0733 0.0130 -0.0223 37 ALA c C ? ? 1 +33378 O O . ALA W 19 0.6647 0.9764 0.8375 0.0762 0.0197 -0.0196 37 ALA c O ? ? 1 +33379 N N . GLY W 20 0.6683 0.9720 0.8381 0.0739 0.0092 -0.0267 38 GLY c N ? ? 1 +33380 C CA . GLY W 20 0.6896 0.9793 0.8388 0.0782 0.0118 -0.0291 38 GLY c CA ? ? 1 +33381 C C . GLY W 20 0.6936 0.9819 0.8401 0.0828 0.0230 -0.0275 38 GLY c C ? ? 1 +33382 O O . GLY W 20 0.7098 0.9893 0.8404 0.0866 0.0273 -0.0274 38 GLY c O ? ? 1 +33383 N N . ASN W 21 0.6784 0.9755 0.8403 0.0825 0.0276 -0.0263 39 ASN c N ? ? 1 +33384 C CA . ASN W 21 0.6816 0.9784 0.8427 0.0868 0.0378 -0.0252 39 ASN c CA ? ? 1 +33385 C CB . ASN W 21 0.6682 0.9728 0.8452 0.0863 0.0398 -0.0255 39 ASN c CB ? ? 1 +33386 C CG . ASN W 21 0.6756 0.9716 0.8473 0.0862 0.0348 -0.0301 39 ASN c CG ? ? 1 +33387 O OD1 . ASN W 21 0.6942 0.9774 0.8488 0.0879 0.0324 -0.0333 39 ASN c OD1 ? ? 1 +33388 N ND2 . ASN W 21 0.6637 0.9657 0.8493 0.0844 0.0334 -0.0305 39 ASN c ND2 ? ? 1 +33389 C C . ASN W 21 0.6792 0.9816 0.8419 0.0882 0.0452 -0.0208 39 ASN c C ? ? 1 +33390 O O . ASN W 21 0.6853 0.9860 0.8439 0.0921 0.0541 -0.0200 39 ASN c O ? ? 1 +33391 N N . ALA W 22 0.6706 0.9791 0.8387 0.0849 0.0415 -0.0181 40 ALA c N ? ? 1 +33392 C CA . ALA W 22 0.6703 0.9825 0.8380 0.0857 0.0478 -0.0140 40 ALA c CA ? ? 1 +33393 C CB . ALA W 22 0.6549 0.9766 0.8344 0.0814 0.0429 -0.0111 40 ALA c CB ? ? 1 +33394 C C . ALA W 22 0.6940 0.9929 0.8394 0.0892 0.0498 -0.0145 40 ALA c C ? ? 1 +33395 O O . ALA W 22 0.6997 0.9987 0.8411 0.0908 0.0570 -0.0114 40 ALA c O ? ? 1 +33396 N N . ARG W 23 0.7097 0.9968 0.8402 0.0901 0.0436 -0.0185 41 ARG c N ? ? 1 +33397 C CA . ARG W 23 0.7334 1.0063 0.8409 0.0938 0.0450 -0.0196 41 ARG c CA ? ? 1 +33398 C CB . ARG W 23 0.7467 1.0086 0.8411 0.0935 0.0353 -0.0243 41 ARG c CB ? ? 1 +33399 C CG . ARG W 23 0.7385 1.0049 0.8390 0.0891 0.0246 -0.0246 41 ARG c CG ? ? 1 +33400 C CD . ARG W 23 0.7491 1.0064 0.8399 0.0883 0.0151 -0.0298 41 ARG c CD ? ? 1 +33401 N NE . ARG W 23 0.7403 1.0028 0.8378 0.0841 0.0050 -0.0302 41 ARG c NE ? ? 1 +33402 C CZ . ARG W 23 0.7449 1.0029 0.8383 0.0820 -0.0046 -0.0345 41 ARG c CZ ? ? 1 +33403 N NH1 . ARG W 23 0.7580 1.0055 0.8404 0.0834 -0.0059 -0.0389 41 ARG c NH1 ? ? 1 +33404 N NH2 . ARG W 23 0.7375 1.0015 0.8379 0.0784 -0.0132 -0.0345 41 ARG c NH2 ? ? 1 +33405 C C . ARG W 23 0.7442 1.0116 0.8436 0.0986 0.0554 -0.0199 41 ARG c C ? ? 1 +33406 O O . ARG W 23 0.7630 1.0195 0.8440 0.1019 0.0589 -0.0200 41 ARG c O ? ? 1 +33407 N N . LEU W 24 0.7348 1.0097 0.8479 0.0990 0.0602 -0.0201 42 LEU c N ? ? 1 +33408 C CA . LEU W 24 0.7452 1.0161 0.8529 0.1037 0.0698 -0.0210 42 LEU c CA ? ? 1 +33409 C CB . LEU W 24 0.7384 1.0125 0.8564 0.1040 0.0690 -0.0237 42 LEU c CB ? ? 1 +33410 C CG . LEU W 24 0.7455 1.0103 0.8556 0.1030 0.0596 -0.0283 42 LEU c CG ? ? 1 +33411 C CD1 . LEU W 24 0.7352 1.0051 0.8588 0.1022 0.0584 -0.0301 42 LEU c CD1 ? ? 1 +33412 C CD2 . LEU W 24 0.7700 1.0184 0.8569 0.1072 0.0610 -0.0315 42 LEU c CD2 ? ? 1 +33413 C C . LEU W 24 0.7387 1.0183 0.8546 0.1049 0.0806 -0.0169 42 LEU c C ? ? 1 +33414 O O . LEU W 24 0.7473 1.0249 0.8599 0.1088 0.0893 -0.0174 42 LEU c O ? ? 1 +33415 N N . ILE W 25 0.7261 1.0153 0.8528 0.1014 0.0802 -0.0131 43 ILE c N ? ? 1 +33416 C CA . ILE W 25 0.7177 1.0174 0.8562 0.1016 0.0898 -0.0093 43 ILE c CA ? ? 1 +33417 C CB . ILE W 25 0.7023 1.0115 0.8523 0.0971 0.0871 -0.0054 43 ILE c CB ? ? 1 +33418 C CG1 . ILE W 25 0.6821 1.0016 0.8502 0.0930 0.0789 -0.0060 43 ILE c CG1 ? ? 1 +33419 C CG2 . ILE W 25 0.6962 1.0142 0.8552 0.0971 0.0976 -0.0016 43 ILE c CG2 ? ? 1 +33420 C CD1 . ILE W 25 0.6687 0.9958 0.8461 0.0886 0.0741 -0.0029 43 ILE c CD1 ? ? 1 +33421 C C . ILE W 25 0.7378 1.0293 0.8611 0.1059 0.0998 -0.0087 43 ILE c C ? ? 1 +33422 O O . ILE W 25 0.7366 1.0337 0.8671 0.1080 0.1090 -0.0081 43 ILE c O ? ? 1 +33423 N N . ASN W 26 0.7583 1.0364 0.8606 0.1072 0.0980 -0.0091 44 ASN c N ? ? 1 +33424 C CA . ASN W 26 0.7785 1.0475 0.8645 0.1112 0.1073 -0.0084 44 ASN c CA ? ? 1 +33425 C CB . ASN W 26 0.7884 1.0529 0.8641 0.1100 0.1074 -0.0050 44 ASN c CB ? ? 1 +33426 C CG . ASN W 26 0.7727 1.0508 0.8667 0.1056 0.1076 -0.0009 44 ASN c CG ? ? 1 +33427 O OD1 . ASN W 26 0.7718 1.0504 0.8662 0.1026 0.0998 0.0004 44 ASN c OD1 ? ? 1 +33428 N ND2 . ASN W 26 0.7615 1.0514 0.8716 0.1051 0.1163 0.0010 44 ASN c ND2 ? ? 1 +33429 C C . ASN W 26 0.7997 1.0533 0.8652 0.1156 0.1066 -0.0125 44 ASN c C ? ? 1 +33430 O O . ASN W 26 0.8200 1.0621 0.8663 0.1185 0.1109 -0.0123 44 ASN c O ? ? 1 +33431 N N . LEU W 27 0.7968 1.0500 0.8663 0.1160 0.1016 -0.0163 45 LEU c N ? ? 1 +33432 C CA . LEU W 27 0.8169 1.0562 0.8688 0.1202 0.1014 -0.0205 45 LEU c CA ? ? 1 +33433 C CB . LEU W 27 0.8216 1.0531 0.8662 0.1184 0.0887 -0.0241 45 LEU c CB ? ? 1 +33434 C CG . LEU W 27 0.8247 1.0527 0.8618 0.1154 0.0804 -0.0230 45 LEU c CG ? ? 1 +33435 C CD1 . LEU W 27 0.8328 1.0518 0.8608 0.1144 0.0688 -0.0275 45 LEU c CD1 ? ? 1 +33436 C CD2 . LEU W 27 0.8423 1.0606 0.8605 0.1181 0.0856 -0.0209 45 LEU c CD2 ? ? 1 +33437 C C . LEU W 27 0.8116 1.0562 0.8739 0.1229 0.1076 -0.0222 45 LEU c C ? ? 1 +33438 O O . LEU W 27 0.8054 1.0514 0.8747 0.1222 0.1020 -0.0250 45 LEU c O ? ? 1 +33439 N N . SER W 28 0.8143 1.0619 0.8776 0.1260 0.1193 -0.0205 46 SER c N ? ? 1 +33440 C CA . SER W 28 0.8068 1.0624 0.8832 0.1285 0.1260 -0.0214 46 SER c CA ? ? 1 +33441 C CB . SER W 28 0.8135 1.0717 0.8887 0.1317 0.1392 -0.0193 46 SER c CB ? ? 1 +33442 O OG . SER W 28 0.8355 1.0796 0.8877 0.1339 0.1421 -0.0193 46 SER c OG ? ? 1 +33443 C C . SER W 28 0.8163 1.0625 0.8845 0.1319 0.1231 -0.0263 46 SER c C ? ? 1 +33444 O O . SER W 28 0.8055 1.0588 0.8876 0.1323 0.1225 -0.0276 46 SER c O ? ? 1 +33445 N N . GLY W 29 0.8370 1.0666 0.8820 0.1344 0.1210 -0.0289 47 GLY c N ? ? 1 +33446 C CA . GLY W 29 0.8492 1.0676 0.8834 0.1378 0.1187 -0.0337 47 GLY c CA ? ? 1 +33447 C C . GLY W 29 0.8385 1.0580 0.8806 0.1344 0.1075 -0.0361 47 GLY c C ? ? 1 +33448 O O . GLY W 29 0.8357 1.0571 0.8855 0.1360 0.1077 -0.0383 47 GLY c O ? ? 1 +33449 N N . LYS W 30 0.8337 1.0519 0.8739 0.1298 0.0978 -0.0357 48 LYS c N ? ? 1 +33450 C CA . LYS W 30 0.8215 1.0421 0.8707 0.1257 0.0872 -0.0376 48 LYS c CA ? ? 1 +33451 C CB . LYS W 30 0.8242 1.0424 0.8684 0.1212 0.0774 -0.0372 48 LYS c CB ? ? 1 +33452 C CG . LYS W 30 0.8510 1.0525 0.8703 0.1231 0.0738 -0.0399 48 LYS c CG ? ? 1 +33453 C CD . LYS W 30 0.8605 1.0525 0.8723 0.1217 0.0638 -0.0448 48 LYS c CD ? ? 1 +33454 C CE . LYS W 30 0.8906 1.0643 0.8763 0.1255 0.0633 -0.0485 48 LYS c CE ? ? 1 +33455 N NZ . LYS W 30 0.9012 1.0685 0.8743 0.1235 0.0553 -0.0489 48 LYS c NZ ? ? 1 +33456 C C . LYS W 30 0.7935 1.0308 0.8682 0.1231 0.0881 -0.0353 48 LYS c C ? ? 1 +33457 O O . LYS W 30 0.7846 1.0235 0.8675 0.1220 0.0836 -0.0375 48 LYS c O ? ? 1 +33458 N N . LEU W 31 0.7784 1.0278 0.8651 0.1221 0.0939 -0.0310 49 LEU c N ? ? 1 +33459 C CA . LEU W 31 0.7525 1.0184 0.8632 0.1198 0.0952 -0.0286 49 LEU c CA ? ? 1 +33460 C CB . LEU W 31 0.7417 1.0187 0.8619 0.1182 0.1010 -0.0239 49 LEU c CB ? ? 1 +33461 C CG . LEU W 31 0.7168 1.0112 0.8618 0.1153 0.1019 -0.0212 49 LEU c CG ? ? 1 +33462 C CD1 . LEU W 31 0.7030 1.0011 0.8577 0.1107 0.0914 -0.0219 49 LEU c CD1 ? ? 1 +33463 C CD2 . LEU W 31 0.7088 1.0125 0.8611 0.1133 0.1072 -0.0168 49 LEU c CD2 ? ? 1 +33464 C C . LEU W 31 0.7507 1.0190 0.8679 0.1240 0.1013 -0.0303 49 LEU c C ? ? 1 +33465 O O . LEU W 31 0.7358 1.0116 0.8679 0.1225 0.0982 -0.0307 49 LEU c O ? ? 1 +33466 N N . LEU W 32 0.7658 1.0275 0.8715 0.1294 0.1099 -0.0313 50 LEU c N ? ? 1 +33467 C CA . LEU W 32 0.7681 1.0302 0.8774 0.1342 0.1156 -0.0334 50 LEU c CA ? ? 1 +33468 C CB . LEU W 32 0.7884 1.0422 0.8824 0.1400 0.1253 -0.0343 50 LEU c CB ? ? 1 +33469 C CG . LEU W 32 0.7954 1.0469 0.8895 0.1459 0.1309 -0.0372 50 LEU c CG ? ? 1 +33470 C CD1 . LEU W 32 0.7771 1.0455 0.8942 0.1465 0.1359 -0.0353 50 LEU c CD1 ? ? 1 +33471 C CD2 . LEU W 32 0.8174 1.0586 0.8936 0.1513 0.1396 -0.0385 50 LEU c CD2 ? ? 1 +33472 C C . LEU W 32 0.7718 1.0251 0.8766 0.1343 0.1078 -0.0375 50 LEU c C ? ? 1 +33473 O O . LEU W 32 0.7619 1.0206 0.8787 0.1354 0.1078 -0.0383 50 LEU c O ? ? 1 +33474 N N . GLY W 33 0.7876 1.0267 0.8744 0.1334 0.1013 -0.0400 51 GLY c N ? ? 1 +33475 C CA . GLY W 33 0.7930 1.0227 0.8744 0.1326 0.0933 -0.0440 51 GLY c CA ? ? 1 +33476 C C . GLY W 33 0.7724 1.0119 0.8720 0.1275 0.0859 -0.0433 51 GLY c C ? ? 1 +33477 O O . GLY W 33 0.7710 1.0094 0.8756 0.1283 0.0841 -0.0454 51 GLY c O ? ? 1 +33478 N N . ALA W 34 0.7580 1.0065 0.8668 0.1223 0.0818 -0.0403 52 ALA c N ? ? 1 +33479 C CA . ALA W 34 0.7376 0.9962 0.8642 0.1174 0.0753 -0.0392 52 ALA c CA ? ? 1 +33480 C CB . ALA W 34 0.7253 0.9929 0.8593 0.1124 0.0718 -0.0358 52 ALA c CB ? ? 1 +33481 C C . ALA W 34 0.7224 0.9924 0.8669 0.1192 0.0804 -0.0379 52 ALA c C ? ? 1 +33482 O O . ALA W 34 0.7151 0.9869 0.8682 0.1175 0.0758 -0.0391 52 ALA c O ? ? 1 +33483 N N . HIS W 35 0.7195 0.9970 0.8691 0.1227 0.0898 -0.0356 53 HIS c N ? ? 1 +33484 C CA . HIS W 35 0.7056 0.9949 0.8724 0.1249 0.0950 -0.0344 53 HIS c CA ? ? 1 +33485 C CB . HIS W 35 0.7027 1.0017 0.8756 0.1272 0.1049 -0.0313 53 HIS c CB ? ? 1 +33486 C CG . HIS W 35 0.6878 0.9978 0.8711 0.1222 0.1039 -0.0273 53 HIS c CG ? ? 1 +33487 N ND1 . HIS W 35 0.6662 0.9889 0.8684 0.1183 0.1000 -0.0253 53 HIS c ND1 ? ? 1 +33488 C CE1 . HIS W 35 0.6593 0.9885 0.8656 0.1146 0.1002 -0.0220 53 HIS c CE1 ? ? 1 +33489 N NE2 . HIS W 35 0.6748 0.9959 0.8657 0.1161 0.1038 -0.0218 53 HIS c NE2 ? ? 1 +33490 C CD2 . HIS W 35 0.6927 1.0017 0.8688 0.1209 0.1063 -0.0252 53 HIS c CD2 ? ? 1 +33491 C C . HIS W 35 0.7138 0.9956 0.8762 0.1299 0.0969 -0.0378 53 HIS c C ? ? 1 +33492 O O . HIS W 35 0.7012 0.9892 0.8765 0.1301 0.0957 -0.0379 53 HIS c O ? ? 1 +33493 N N . VAL W 36 0.7356 1.0036 0.8790 0.1341 0.0998 -0.0406 54 VAL c N ? ? 1 +33494 C CA . VAL W 36 0.7471 1.0067 0.8844 0.1396 0.1023 -0.0440 54 VAL c CA ? ? 1 +33495 C CB . VAL W 36 0.7689 1.0167 0.8868 0.1449 0.1089 -0.0460 54 VAL c CB ? ? 1 +33496 C CG1 . VAL W 36 0.7835 1.0195 0.8916 0.1503 0.1101 -0.0501 54 VAL c CG1 ? ? 1 +33497 C CG2 . VAL W 36 0.7663 1.0242 0.8902 0.1479 0.1193 -0.0432 54 VAL c CG2 ? ? 1 +33498 C C . VAL W 36 0.7488 0.9993 0.8824 0.1369 0.0931 -0.0470 54 VAL c C ? ? 1 +33499 O O . VAL W 36 0.7465 0.9965 0.8855 0.1392 0.0930 -0.0485 54 VAL c O ? ? 1 +33500 N N . ALA W 37 0.7526 0.9959 0.8771 0.1321 0.0853 -0.0479 55 ALA c N ? ? 1 +33501 C CA . ALA W 37 0.7532 0.9889 0.8754 0.1284 0.0761 -0.0507 55 ALA c CA ? ? 1 +33502 C CB . ALA W 37 0.7595 0.9881 0.8706 0.1236 0.0685 -0.0517 55 ALA c CB ? ? 1 +33503 C C . ALA W 37 0.7311 0.9791 0.8738 0.1248 0.0727 -0.0487 55 ALA c C ? ? 1 +33504 O O . ALA W 37 0.7316 0.9750 0.8760 0.1244 0.0690 -0.0508 55 ALA c O ? ? 1 +33505 N N . HIS W 38 0.7126 0.9757 0.8702 0.1222 0.0741 -0.0446 56 HIS c N ? ? 1 +33506 C CA . HIS W 38 0.6908 0.9667 0.8682 0.1188 0.0714 -0.0423 56 HIS c CA ? ? 1 +33507 C CB . HIS W 38 0.6752 0.9652 0.8647 0.1152 0.0721 -0.0381 56 HIS c CB ? ? 1 +33508 C CG . HIS W 38 0.6543 0.9578 0.8641 0.1120 0.0698 -0.0357 56 HIS c CG ? ? 1 +33509 N ND1 . HIS W 38 0.6475 0.9512 0.8621 0.1063 0.0613 -0.0360 56 HIS c ND1 ? ? 1 +33510 C CE1 . HIS W 38 0.6293 0.9459 0.8620 0.1049 0.0617 -0.0335 56 HIS c CE1 ? ? 1 +33511 N NE2 . HIS W 38 0.6254 0.9501 0.8653 0.1093 0.0695 -0.0317 56 HIS c NE2 ? ? 1 +33512 C CD2 . HIS W 38 0.6419 0.9586 0.8676 0.1138 0.0749 -0.0331 56 HIS c CD2 ? ? 1 +33513 C C . HIS W 38 0.6861 0.9671 0.8733 0.1237 0.0769 -0.0422 56 HIS c C ? ? 1 +33514 O O . HIS W 38 0.6790 0.9617 0.8749 0.1224 0.0732 -0.0426 56 HIS c O ? ? 1 +33515 N N . ALA W 39 0.6908 0.9745 0.8768 0.1294 0.0859 -0.0416 57 ALA c N ? ? 1 +33516 C CA . ALA W 39 0.6884 0.9760 0.8819 0.1351 0.0914 -0.0420 57 ALA c CA ? ? 1 +33517 C CB . ALA W 39 0.6960 0.9860 0.8862 0.1410 0.1014 -0.0416 57 ALA c CB ? ? 1 +33518 C C . ALA W 39 0.7007 0.9742 0.8842 0.1375 0.0882 -0.0459 57 ALA c C ? ? 1 +33519 O O . ALA W 39 0.6949 0.9712 0.8874 0.1394 0.0878 -0.0462 57 ALA c O ? ? 1 +33520 N N . GLY W 40 0.7191 0.9769 0.8834 0.1375 0.0856 -0.0490 58 GLY c N ? ? 1 +33521 C CA . GLY W 40 0.7324 0.9751 0.8854 0.1388 0.0818 -0.0529 58 GLY c CA ? ? 1 +33522 C C . GLY W 40 0.7221 0.9657 0.8840 0.1336 0.0740 -0.0530 58 GLY c C ? ? 1 +33523 O O . GLY W 40 0.7256 0.9638 0.8878 0.1360 0.0734 -0.0547 58 GLY c O ? ? 1 +33524 N N . LEU W 41 0.7104 0.9606 0.8792 0.1266 0.0681 -0.0511 59 LEU c N ? ? 1 +33525 C CA . LEU W 41 0.6999 0.9524 0.8782 0.1211 0.0610 -0.0508 59 LEU c CA ? ? 1 +33526 C CB . LEU W 41 0.6884 0.9483 0.8726 0.1139 0.0554 -0.0488 59 LEU c CB ? ? 1 +33527 C CG . LEU W 41 0.7008 0.9497 0.8699 0.1104 0.0499 -0.0513 59 LEU c CG ? ? 1 +33528 C CD1 . LEU W 41 0.6881 0.9467 0.8649 0.1044 0.0455 -0.0488 59 LEU c CD1 ? ? 1 +33529 C CD2 . LEU W 41 0.7100 0.9457 0.8711 0.1080 0.0437 -0.0552 59 LEU c CD2 ? ? 1 +33530 C C . LEU W 41 0.6866 0.9504 0.8823 0.1230 0.0634 -0.0485 59 LEU c C ? ? 1 +33531 O O . LEU W 41 0.6861 0.9461 0.8848 0.1219 0.0598 -0.0496 59 LEU c O ? ? 1 +33532 N N . ILE W 42 0.6769 0.9546 0.8839 0.1256 0.0695 -0.0454 60 ILE c N ? ? 1 +33533 C CA . ILE W 42 0.6629 0.9524 0.8866 0.1278 0.0720 -0.0433 60 ILE c CA ? ? 1 +33534 C CB . ILE W 42 0.6519 0.9574 0.8878 0.1298 0.0787 -0.0400 60 ILE c CB ? ? 1 +33535 C CG1 . ILE W 42 0.6387 0.9534 0.8813 0.1233 0.0758 -0.0371 60 ILE c CG1 ? ? 1 +33536 C CG2 . ILE W 42 0.6404 0.9575 0.8928 0.1331 0.0816 -0.0384 60 ILE c CG2 ? ? 1 +33537 C CD1 . ILE W 42 0.6322 0.9595 0.8825 0.1249 0.0828 -0.0343 60 ILE c CD1 ? ? 1 +33538 C C . ILE W 42 0.6749 0.9551 0.8928 0.1342 0.0746 -0.0460 60 ILE c C ? ? 1 +33539 O O . ILE W 42 0.6712 0.9507 0.8951 0.1340 0.0717 -0.0462 60 ILE c O ? ? 1 +33540 N N . VAL W 43 0.6919 0.9645 0.8973 0.1400 0.0802 -0.0480 61 VAL c N ? ? 1 +33541 C CA . VAL W 43 0.7045 0.9686 0.9039 0.1472 0.0838 -0.0506 61 VAL c CA ? ? 1 +33542 C CB . VAL W 43 0.7192 0.9791 0.9074 0.1534 0.0915 -0.0520 61 VAL c CB ? ? 1 +33543 C CG1 . VAL W 43 0.7358 0.9847 0.9151 0.1609 0.0947 -0.0551 61 VAL c CG1 ? ? 1 +33544 C CG2 . VAL W 43 0.7074 0.9844 0.9086 0.1553 0.0984 -0.0488 61 VAL c CG2 ? ? 1 +33545 C C . VAL W 43 0.7162 0.9637 0.9040 0.1454 0.0776 -0.0538 61 VAL c C ? ? 1 +33546 O O . VAL W 43 0.7181 0.9609 0.9067 0.1490 0.0776 -0.0549 61 VAL c O ? ? 1 +33547 N N . PHE W 44 0.7251 0.9636 0.9020 0.1398 0.0721 -0.0552 62 PHE c N ? ? 1 +33548 C CA . PHE W 44 0.7356 0.9593 0.9028 0.1365 0.0655 -0.0582 62 PHE c CA ? ? 1 +33549 C CB . PHE W 44 0.7401 0.9583 0.8985 0.1296 0.0595 -0.0594 62 PHE c CB ? ? 1 +33550 C CG . PHE W 44 0.7538 0.9563 0.9014 0.1260 0.0529 -0.0630 62 PHE c CG ? ? 1 +33551 C CD1 . PHE W 44 0.7455 0.9497 0.9021 0.1206 0.0472 -0.0625 62 PHE c CD1 ? ? 1 +33552 C CD2 . PHE W 44 0.7768 0.9625 0.9050 0.1281 0.0527 -0.0671 62 PHE c CD2 ? ? 1 +33553 C CE1 . PHE W 44 0.7571 0.9467 0.9040 0.1170 0.0416 -0.0659 62 PHE c CE1 ? ? 1 +33554 C CE2 . PHE W 44 0.7893 0.9604 0.9078 0.1246 0.0468 -0.0706 62 PHE c CE2 ? ? 1 +33555 C CZ . PHE W 44 0.7788 0.9521 0.9069 0.1189 0.0414 -0.0700 62 PHE c CZ ? ? 1 +33556 C C . PHE W 44 0.7229 0.9515 0.9032 0.1335 0.0615 -0.0568 62 PHE c C ? ? 1 +33557 O O . PHE W 44 0.7309 0.9500 0.9073 0.1361 0.0608 -0.0587 62 PHE c O ? ? 1 +33558 N N . TRP W 45 0.7043 0.9472 0.8995 0.1282 0.0589 -0.0535 63 TRP c N ? ? 1 +33559 C CA . TRP W 45 0.6903 0.9384 0.8981 0.1245 0.0547 -0.0519 63 TRP c CA ? ? 1 +33560 C CB . TRP W 45 0.6691 0.9338 0.8924 0.1190 0.0527 -0.0482 63 TRP c CB ? ? 1 +33561 C CG . TRP W 45 0.6538 0.9243 0.8901 0.1152 0.0487 -0.0465 63 TRP c CG ? ? 1 +33562 C CD1 . TRP W 45 0.6527 0.9173 0.8879 0.1086 0.0419 -0.0474 63 TRP c CD1 ? ? 1 +33563 N NE1 . TRP W 45 0.6387 0.9109 0.8874 0.1071 0.0404 -0.0452 63 TRP c NE1 ? ? 1 +33564 C CE2 . TRP W 45 0.6307 0.9141 0.8895 0.1128 0.0458 -0.0428 63 TRP c CE2 ? ? 1 +33565 C CZ2 . TRP W 45 0.6165 0.9104 0.8899 0.1139 0.0464 -0.0402 63 TRP c CZ2 ? ? 1 +33566 C CH2 . TRP W 45 0.6110 0.9154 0.8925 0.1202 0.0522 -0.0386 63 TRP c CH2 ? ? 1 +33567 C CZ3 . TRP W 45 0.6186 0.9233 0.8941 0.1251 0.0579 -0.0394 63 TRP c CZ3 ? ? 1 +33568 C CE3 . TRP W 45 0.6328 0.9265 0.8931 0.1241 0.0576 -0.0418 63 TRP c CE3 ? ? 1 +33569 C CD2 . TRP W 45 0.6395 0.9222 0.8911 0.1179 0.0512 -0.0436 63 TRP c CD2 ? ? 1 +33570 C C . TRP W 45 0.6893 0.9402 0.9042 0.1310 0.0588 -0.0512 63 TRP c C ? ? 1 +33571 O O . TRP W 45 0.6914 0.9351 0.9058 0.1307 0.0558 -0.0522 63 TRP c O ? ? 1 +33572 N N . ALA W 46 0.6859 0.9473 0.9074 0.1369 0.0655 -0.0496 64 ALA c N ? ? 1 +33573 C CA . ALA W 46 0.6844 0.9504 0.9136 0.1438 0.0697 -0.0490 64 ALA c CA ? ? 1 +33574 C CB . ALA W 46 0.6810 0.9591 0.9166 0.1494 0.0773 -0.0476 64 ALA c CB ? ? 1 +33575 C C . ALA W 46 0.7039 0.9525 0.9193 0.1488 0.0699 -0.0525 64 ALA c C ? ? 1 +33576 O O . ALA W 46 0.7027 0.9491 0.9220 0.1510 0.0688 -0.0525 64 ALA c O ? ? 1 +33577 N N . GLY W 47 0.7230 0.9586 0.9214 0.1505 0.0714 -0.0555 65 GLY c N ? ? 1 +33578 C CA . GLY W 47 0.7435 0.9608 0.9267 0.1548 0.0714 -0.0592 65 GLY c CA ? ? 1 +33579 C C . GLY W 47 0.7475 0.9524 0.9252 0.1490 0.0642 -0.0607 65 GLY c C ? ? 1 +33580 O O . GLY W 47 0.7518 0.9496 0.9287 0.1517 0.0635 -0.0615 65 GLY c O ? ? 1 +33581 N N . ALA W 48 0.7463 0.9488 0.9204 0.1409 0.0589 -0.0612 66 ALA c N ? ? 1 +33582 C CA . ALA W 48 0.7509 0.9418 0.9197 0.1346 0.0520 -0.0629 66 ALA c CA ? ? 1 +33583 C CB . ALA W 48 0.7488 0.9395 0.9142 0.1265 0.0469 -0.0636 66 ALA c CB ? ? 1 +33584 C C . ALA W 48 0.7376 0.9352 0.9202 0.1322 0.0494 -0.0605 66 ALA c C ? ? 1 +33585 O O . ALA W 48 0.7466 0.9324 0.9242 0.1313 0.0466 -0.0620 66 ALA c O ? ? 1 +33586 N N . MET W 49 0.7168 0.9330 0.9165 0.1312 0.0504 -0.0566 67 MET c N ? ? 1 +33587 C CA . MET W 49 0.7016 0.9252 0.9148 0.1285 0.0477 -0.0540 67 MET c CA ? ? 1 +33588 C CB . MET W 49 0.6801 0.9244 0.9110 0.1259 0.0483 -0.0500 67 MET c CB ? ? 1 +33589 C CG . MET W 49 0.6655 0.9172 0.9097 0.1218 0.0447 -0.0475 67 MET c CG ? ? 1 +33590 S SD . MET W 49 0.6623 0.9084 0.9046 0.1105 0.0367 -0.0482 67 MET c SD ? ? 1 +33591 C CE . MET W 49 0.6712 0.9033 0.9090 0.1110 0.0344 -0.0495 67 MET c CE ? ? 1 +33592 C C . MET W 49 0.7054 0.9252 0.9194 0.1361 0.0508 -0.0541 67 MET c C ? ? 1 +33593 O O . MET W 49 0.7034 0.9181 0.9192 0.1344 0.0478 -0.0538 67 MET c O ? ? 1 +33594 N N . THR W 50 0.7101 0.9323 0.9227 0.1445 0.0570 -0.0545 68 THR c N ? ? 1 +33595 C CA . THR W 50 0.7157 0.9343 0.9283 0.1527 0.0601 -0.0548 68 THR c CA ? ? 1 +33596 C CB . THR W 50 0.7197 0.9445 0.9327 0.1614 0.0673 -0.0551 68 THR c CB ? ? 1 +33597 O OG1 . THR W 50 0.7014 0.9465 0.9305 0.1602 0.0694 -0.0519 68 THR c OG1 ? ? 1 +33598 C CG2 . THR W 50 0.7281 0.9488 0.9405 0.1706 0.0705 -0.0559 68 THR c CG2 ? ? 1 +33599 C C . THR W 50 0.7348 0.9319 0.9315 0.1536 0.0578 -0.0581 68 THR c C ? ? 1 +33600 O O . THR W 50 0.7361 0.9284 0.9343 0.1560 0.0568 -0.0578 68 THR c O ? ? 1 +33601 N N . LEU W 51 0.7506 0.9343 0.9317 0.1518 0.0571 -0.0613 69 LEU c N ? ? 1 +33602 C CA . LEU W 51 0.7708 0.9330 0.9355 0.1522 0.0550 -0.0648 69 LEU c CA ? ? 1 +33603 C CB . LEU W 51 0.7868 0.9367 0.9348 0.1512 0.0551 -0.0685 69 LEU c CB ? ? 1 +33604 C CG . LEU W 51 0.7947 0.9466 0.9376 0.1595 0.0618 -0.0694 69 LEU c CG ? ? 1 +33605 C CD1 . LEU W 51 0.8113 0.9501 0.9368 0.1580 0.0614 -0.0730 69 LEU c CD1 ? ? 1 +33606 C CD2 . LEU W 51 0.8042 0.9512 0.9449 0.1696 0.0665 -0.0701 69 LEU c CD2 ? ? 1 +33607 C C . LEU W 51 0.7673 0.9244 0.9341 0.1440 0.0487 -0.0644 69 LEU c C ? ? 1 +33608 O O . LEU W 51 0.7771 0.9206 0.9371 0.1453 0.0474 -0.0657 69 LEU c O ? ? 1 +33609 N N . PHE W 52 0.7543 0.9222 0.9305 0.1358 0.0450 -0.0625 70 PHE c N ? ? 1 +33610 C CA . PHE W 52 0.7488 0.9151 0.9297 0.1277 0.0394 -0.0617 70 PHE c CA ? ? 1 +33611 C CB . PHE W 52 0.7335 0.9133 0.9245 0.1195 0.0360 -0.0599 70 PHE c CB ? ? 1 +33612 C CG . PHE W 52 0.7297 0.9067 0.9238 0.1103 0.0300 -0.0598 70 PHE c CG ? ? 1 +33613 C CD1 . PHE W 52 0.7431 0.9071 0.9259 0.1041 0.0258 -0.0632 70 PHE c CD1 ? ? 1 +33614 C CD2 . PHE W 52 0.7147 0.9017 0.9229 0.1081 0.0287 -0.0565 70 PHE c CD2 ? ? 1 +33615 C CE1 . PHE W 52 0.7398 0.9018 0.9262 0.0954 0.0207 -0.0632 70 PHE c CE1 ? ? 1 +33616 C CE2 . PHE W 52 0.7120 0.8961 0.9229 0.0996 0.0237 -0.0564 70 PHE c CE2 ? ? 1 +33617 C CZ . PHE W 52 0.7238 0.8959 0.9242 0.0933 0.0198 -0.0598 70 PHE c CZ ? ? 1 +33618 C C . PHE W 52 0.7403 0.9116 0.9317 0.1308 0.0400 -0.0590 70 PHE c C ? ? 1 +33619 O O . PHE W 52 0.7461 0.9060 0.9332 0.1291 0.0376 -0.0596 70 PHE c O ? ? 1 +33620 N N . GLU W 53 0.7273 0.9159 0.9324 0.1352 0.0434 -0.0559 71 GLU c N ? ? 1 +33621 C CA . GLU W 53 0.7200 0.9149 0.9356 0.1388 0.0440 -0.0533 71 GLU c CA ? ? 1 +33622 C CB . GLU W 53 0.7024 0.9178 0.9333 0.1434 0.0479 -0.0503 71 GLU c CB ? ? 1 +33623 C CG . GLU W 53 0.6813 0.9131 0.9258 0.1360 0.0456 -0.0475 71 GLU c CG ? ? 1 +33624 C CD . GLU W 53 0.6634 0.9153 0.9247 0.1396 0.0486 -0.0443 71 GLU c CD ? ? 1 +33625 O OE1 . GLU W 53 0.6655 0.9198 0.9292 0.1480 0.0524 -0.0442 71 GLU c OE1 ? ? 1 +33626 O OE2 . GLU W 53 0.6475 0.9130 0.9198 0.1340 0.0472 -0.0420 71 GLU c OE2 ? ? 1 +33627 C C . GLU W 53 0.7408 0.9198 0.9455 0.1462 0.0458 -0.0552 71 GLU c C ? ? 1 +33628 O O . GLU W 53 0.7443 0.9164 0.9488 0.1453 0.0434 -0.0546 71 GLU c O ? ? 1 +33629 N N . LEU W 54 0.7569 0.9297 0.9518 0.1534 0.0500 -0.0576 72 LEU c N ? ? 1 +33630 C CA . LEU W 54 0.7768 0.9348 0.9609 0.1614 0.0521 -0.0595 72 LEU c CA ? ? 1 +33631 C CB . LEU W 54 0.7888 0.9441 0.9645 0.1693 0.0575 -0.0619 72 LEU c CB ? ? 1 +33632 C CG . LEU W 54 0.8083 0.9486 0.9724 0.1786 0.0602 -0.0642 72 LEU c CG ? ? 1 +33633 C CD1 . LEU W 54 0.8010 0.9483 0.9755 0.1849 0.0612 -0.0618 72 LEU c CD1 ? ? 1 +33634 C CD2 . LEU W 54 0.8198 0.9590 0.9765 0.1857 0.0657 -0.0664 72 LEU c CD2 ? ? 1 +33635 C C . LEU W 54 0.7953 0.9319 0.9652 0.1568 0.0482 -0.0620 72 LEU c C ? ? 1 +33636 O O . LEU W 54 0.8040 0.9308 0.9704 0.1601 0.0478 -0.0619 72 LEU c O ? ? 1 +33637 N N . ALA W 55 0.8038 0.9331 0.9654 0.1492 0.0453 -0.0642 73 ALA c N ? ? 1 +33638 C CA . ALA W 55 0.8203 0.9302 0.9691 0.1435 0.0414 -0.0668 73 ALA c CA ? ? 1 +33639 C CB . ALA W 55 0.8235 0.9299 0.9656 0.1357 0.0385 -0.0692 73 ALA c CB ? ? 1 +33640 C C . ALA W 55 0.8143 0.9247 0.9708 0.1379 0.0377 -0.0645 73 ALA c C ? ? 1 +33641 O O . ALA W 55 0.8275 0.9211 0.9744 0.1370 0.0361 -0.0659 73 ALA c O ? ? 1 +33642 N N . HIS W 56 0.7978 0.9271 0.9710 0.1344 0.0365 -0.0609 74 HIS c N ? ? 1 +33643 C CA . HIS W 56 0.7911 0.9232 0.9730 0.1289 0.0332 -0.0584 74 HIS c CA ? ? 1 +33644 C CB . HIS W 56 0.7730 0.9216 0.9679 0.1205 0.0304 -0.0565 74 HIS c CB ? ? 1 +33645 C CG . HIS W 56 0.7805 0.9222 0.9679 0.1120 0.0269 -0.0593 74 HIS c CG ? ? 1 +33646 N ND1 . HIS W 56 0.7936 0.9298 0.9705 0.1135 0.0281 -0.0623 74 HIS c ND1 ? ? 1 +33647 C CE1 . HIS W 56 0.7964 0.9279 0.9693 0.1047 0.0238 -0.0643 74 HIS c CE1 ? ? 1 +33648 N NE2 . HIS W 56 0.7867 0.9210 0.9676 0.0975 0.0203 -0.0628 74 HIS c NE2 ? ? 1 +33649 C CD2 . HIS W 56 0.7769 0.9174 0.9667 0.1021 0.0224 -0.0595 74 HIS c CD2 ? ? 1 +33650 C C . HIS W 56 0.7882 0.9270 0.9789 0.1360 0.0353 -0.0554 74 HIS c C ? ? 1 +33651 O O . HIS W 56 0.7810 0.9249 0.9806 0.1322 0.0330 -0.0528 74 HIS c O ? ? 1 +33652 N N . PHE W 57 0.7999 0.9390 0.9882 0.1464 0.0397 -0.0559 75 PHE c N ? ? 1 +33653 C CA . PHE W 57 0.7955 0.9432 0.9932 0.1541 0.0417 -0.0532 75 PHE c CA ? ? 1 +33654 C CB . PHE W 57 0.7956 0.9541 0.9972 0.1632 0.0467 -0.0534 75 PHE c CB ? ? 1 +33655 C CG . PHE W 57 0.7888 0.9589 1.0019 0.1713 0.0487 -0.0510 75 PHE c CG ? ? 1 +33656 C CD1 . PHE W 57 0.7702 0.9568 0.9996 0.1682 0.0469 -0.0475 75 PHE c CD1 ? ? 1 +33657 C CD2 . PHE W 57 0.8028 0.9672 1.0103 0.1822 0.0523 -0.0523 75 PHE c CD2 ? ? 1 +33658 C CE1 . PHE W 57 0.7621 0.9594 1.0021 0.1756 0.0484 -0.0454 75 PHE c CE1 ? ? 1 +33659 C CE2 . PHE W 57 0.7974 0.9731 1.0160 0.1897 0.0538 -0.0502 75 PHE c CE2 ? ? 1 +33660 C CZ . PHE W 57 0.7760 0.9682 1.0108 0.1863 0.0517 -0.0468 75 PHE c CZ ? ? 1 +33661 C C . PHE W 57 0.8152 0.9449 1.0024 0.1586 0.0413 -0.0540 75 PHE c C ? ? 1 +33662 O O . PHE W 57 0.8346 0.9472 1.0065 0.1625 0.0428 -0.0570 75 PHE c O ? ? 1 +33663 N N . ILE W 58 0.8123 0.9453 1.0072 0.1579 0.0394 -0.0511 76 ILE c N ? ? 1 +33664 C CA . ILE W 58 0.8312 0.9496 1.0181 0.1635 0.0394 -0.0511 76 ILE c CA ? ? 1 +33665 C CB . ILE W 58 0.8327 0.9423 1.0182 0.1551 0.0354 -0.0498 76 ILE c CB ? ? 1 +33666 C CG1 . ILE W 58 0.8469 0.9414 1.0204 0.1457 0.0332 -0.0527 76 ILE c CG1 ? ? 1 +33667 C CG2 . ILE W 58 0.8467 0.9433 1.0256 0.1614 0.0354 -0.0490 76 ILE c CG2 ? ? 1 +33668 C CD1 . ILE W 58 0.8451 0.9339 1.0196 0.1352 0.0293 -0.0515 76 ILE c CD1 ? ? 1 +33669 C C . ILE W 58 0.8280 0.9605 1.0263 0.1733 0.0417 -0.0488 76 ILE c C ? ? 1 +33670 O O . ILE W 58 0.8100 0.9595 1.0235 0.1712 0.0405 -0.0457 76 ILE c O ? ? 1 +33671 N N . PRO W 59 0.8485 0.9752 1.0403 0.1843 0.0450 -0.0503 77 PRO c N ? ? 1 +33672 C CA . PRO W 59 0.8416 0.9838 1.0453 0.1939 0.0474 -0.0486 77 PRO c CA ? ? 1 +33673 C CB . PRO W 59 0.8611 0.9914 1.0527 0.2045 0.0510 -0.0515 77 PRO c CB ? ? 1 +33674 C CG . PRO W 59 0.8764 0.9902 1.0523 0.1996 0.0512 -0.0547 77 PRO c CG ? ? 1 +33675 C CD . PRO W 59 0.8736 0.9790 1.0466 0.1883 0.0467 -0.0539 77 PRO c CD ? ? 1 +33676 C C . PRO W 59 0.8390 0.9855 1.0508 0.1960 0.0451 -0.0455 77 PRO c C ? ? 1 +33677 O O . PRO W 59 0.8302 0.9944 1.0559 0.2013 0.0462 -0.0437 77 PRO c O ? ? 1 +33678 N N . GLU W 60 0.8528 0.9833 1.0559 0.1919 0.0420 -0.0450 78 GLU c N ? ? 1 +33679 C CA . GLU W 60 0.8536 0.9861 1.0622 0.1944 0.0399 -0.0421 78 GLU c CA ? ? 1 +33680 C CB . GLU W 60 0.8850 0.9925 1.0771 0.1949 0.0383 -0.0427 78 GLU c CB ? ? 1 +33681 C CG . GLU W 60 0.9204 1.0082 1.0949 0.2015 0.0407 -0.0461 78 GLU c CG ? ? 1 +33682 C CD . GLU W 60 0.9454 1.0160 1.1060 0.1930 0.0401 -0.0488 78 GLU c CD ? ? 1 +33683 O OE1 . GLU W 60 0.9414 1.0081 1.1019 0.1825 0.0372 -0.0479 78 GLU c OE1 ? ? 1 +33684 O OE2 . GLU W 60 0.9753 1.0364 1.1251 0.1969 0.0426 -0.0520 78 GLU c OE2 ? ? 1 +33685 C C . GLU W 60 0.8254 0.9736 1.0488 0.1856 0.0370 -0.0390 78 GLU c C ? ? 1 +33686 O O . GLU W 60 0.8239 0.9789 1.0554 0.1880 0.0355 -0.0364 78 GLU c O ? ? 1 +33687 N N . LYS W 61 0.8066 0.9600 1.0331 0.1756 0.0362 -0.0394 79 LYS c N ? ? 1 +33688 C CA . LYS W 61 0.7750 0.9454 1.0166 0.1677 0.0339 -0.0366 79 LYS c CA ? ? 1 +33689 C CB . LYS W 61 0.7745 0.9416 1.0136 0.1556 0.0319 -0.0374 79 LYS c CB ? ? 1 +33690 C CG . LYS W 61 0.7902 0.9379 1.0176 0.1493 0.0293 -0.0379 79 LYS c CG ? ? 1 +33691 C CD . LYS W 61 0.7901 0.9354 1.0154 0.1378 0.0274 -0.0393 79 LYS c CD ? ? 1 +33692 C CE . LYS W 61 0.7721 0.9334 1.0120 0.1295 0.0250 -0.0367 79 LYS c CE ? ? 1 +33693 N NZ . LYS W 61 0.7756 0.9319 1.0120 0.1183 0.0226 -0.0383 79 LYS c NZ ? ? 1 +33694 C C . LYS W 61 0.7471 0.9408 1.0043 0.1712 0.0361 -0.0357 79 LYS c C ? ? 1 +33695 O O . LYS W 61 0.7517 0.9479 1.0068 0.1748 0.0391 -0.0377 79 LYS c O ? ? 1 +33696 N N . PRO W 62 0.7165 0.9277 0.9894 0.1699 0.0347 -0.0327 80 PRO c N ? ? 1 +33697 C CA . PRO W 62 0.6935 0.9272 0.9817 0.1712 0.0366 -0.0318 80 PRO c CA ? ? 1 +33698 C CB . PRO W 62 0.6777 0.9251 0.9801 0.1680 0.0339 -0.0284 80 PRO c CB ? ? 1 +33699 C CG . PRO W 62 0.6897 0.9222 0.9839 0.1700 0.0315 -0.0276 80 PRO c CG ? ? 1 +33700 C CD . PRO W 62 0.7106 0.9206 0.9869 0.1673 0.0314 -0.0300 80 PRO c CD ? ? 1 +33701 C C . PRO W 62 0.6833 0.9205 0.9711 0.1639 0.0374 -0.0330 80 PRO c C ? ? 1 +33702 O O . PRO W 62 0.6887 0.9175 0.9708 0.1551 0.0349 -0.0333 80 PRO c O ? ? 1 +33703 N N . MET W 63 0.6714 0.9211 0.9653 0.1676 0.0409 -0.0337 81 MET c N ? ? 1 +33704 C CA . MET W 63 0.6608 0.9151 0.9548 0.1616 0.0419 -0.0346 81 MET c CA ? ? 1 +33705 C CB . MET W 63 0.6523 0.9226 0.9553 0.1673 0.0463 -0.0347 81 MET c CB ? ? 1 +33706 C CG . MET W 63 0.6681 0.9302 0.9616 0.1765 0.0502 -0.0374 81 MET c CG ? ? 1 +33707 S SD . MET W 63 0.6592 0.9412 0.9646 0.1824 0.0559 -0.0374 81 MET c SD ? ? 1 +33708 C CE . MET W 63 0.6794 0.9494 0.9731 0.1942 0.0598 -0.0405 81 MET c CE ? ? 1 +33709 C C . MET W 63 0.6410 0.9037 0.9435 0.1509 0.0384 -0.0325 81 MET c C ? ? 1 +33710 O O . MET W 63 0.6422 0.8996 0.9389 0.1436 0.0370 -0.0336 81 MET c O ? ? 1 +33711 N N . TYR W 64 0.6212 0.8973 0.9374 0.1504 0.0370 -0.0296 82 TYR c N ? ? 1 +33712 C CA . TYR W 64 0.5994 0.8867 0.9260 0.1413 0.0342 -0.0274 82 TYR c CA ? ? 1 +33713 C CB . TYR W 64 0.5790 0.8846 0.9223 0.1439 0.0342 -0.0245 82 TYR c CB ? ? 1 +33714 C CG . TYR W 64 0.5803 0.8823 0.9240 0.1507 0.0334 -0.0237 82 TYR c CG ? ? 1 +33715 C CD1 . TYR W 64 0.5786 0.8730 0.9202 0.1470 0.0297 -0.0223 82 TYR c CD1 ? ? 1 +33716 C CD2 . TYR W 64 0.5814 0.8881 0.9277 0.1610 0.0363 -0.0243 82 TYR c CD2 ? ? 1 +33717 C CE1 . TYR W 64 0.5825 0.8732 0.9237 0.1534 0.0289 -0.0214 82 TYR c CE1 ? ? 1 +33718 C CE2 . TYR W 64 0.5844 0.8882 0.9311 0.1677 0.0351 -0.0236 82 TYR c CE2 ? ? 1 +33719 C CZ . TYR W 64 0.5854 0.8808 0.9290 0.1639 0.0314 -0.0220 82 TYR c CZ ? ? 1 +33720 O OH . TYR W 64 0.5889 0.8802 0.9317 0.1705 0.0300 -0.0212 82 TYR c OH ? ? 1 +33721 C C . TYR W 64 0.6026 0.8773 0.9224 0.1332 0.0301 -0.0273 82 TYR c C ? ? 1 +33722 O O . TYR W 64 0.5906 0.8718 0.9165 0.1247 0.0278 -0.0261 82 TYR c O ? ? 1 +33723 N N . GLU W 65 0.6198 0.8760 0.9266 0.1356 0.0295 -0.0287 83 GLU c N ? ? 1 +33724 C CA . GLU W 65 0.6263 0.8682 0.9247 0.1279 0.0263 -0.0291 83 GLU c CA ? ? 1 +33725 C CB . GLU W 65 0.6400 0.8658 0.9289 0.1324 0.0258 -0.0292 83 GLU c CB ? ? 1 +33726 C CG . GLU W 65 0.6300 0.8635 0.9283 0.1347 0.0245 -0.0261 83 GLU c CG ? ? 1 +33727 C CD . GLU W 65 0.6449 0.8602 0.9322 0.1367 0.0233 -0.0260 83 GLU c CD ? ? 1 +33728 O OE1 . GLU W 65 0.6646 0.8617 0.9370 0.1383 0.0241 -0.0285 83 GLU c OE1 ? ? 1 +33729 O OE2 . GLU W 65 0.6393 0.8578 0.9323 0.1363 0.0216 -0.0235 83 GLU c OE2 ? ? 1 +33730 C C . GLU W 65 0.6395 0.8699 0.9262 0.1231 0.0261 -0.0322 83 GLU c C ? ? 1 +33731 O O . GLU W 65 0.6470 0.8659 0.9269 0.1160 0.0235 -0.0331 83 GLU c O ? ? 1 +33732 N N . GLN W 66 0.6443 0.8778 0.9286 0.1267 0.0289 -0.0340 84 GLN c N ? ? 1 +33733 C CA . GLN W 66 0.6584 0.8788 0.9294 0.1237 0.0288 -0.0373 84 GLN c CA ? ? 1 +33734 C CB . GLN W 66 0.6790 0.8873 0.9380 0.1331 0.0321 -0.0396 84 GLN c CB ? ? 1 +33735 C CG . GLN W 66 0.6915 0.8865 0.9439 0.1380 0.0319 -0.0394 84 GLN c CG ? ? 1 +33736 C CD . GLN W 66 0.7107 0.8943 0.9513 0.1475 0.0352 -0.0419 84 GLN c CD ? ? 1 +33737 O OE1 . GLN W 66 0.7280 0.8981 0.9553 0.1464 0.0357 -0.0450 84 GLN c OE1 ? ? 1 +33738 N NE2 . GLN W 66 0.7098 0.8989 0.9550 0.1570 0.0376 -0.0409 84 GLN c NE2 ? ? 1 +33739 C C . GLN W 66 0.6492 0.8796 0.9238 0.1192 0.0290 -0.0379 84 GLN c C ? ? 1 +33740 O O . GLN W 66 0.6599 0.8802 0.9233 0.1175 0.0290 -0.0408 84 GLN c O ? ? 1 +33741 N N . GLY W 67 0.6306 0.8802 0.9203 0.1173 0.0290 -0.0352 85 GLY c N ? ? 1 +33742 C CA . GLY W 67 0.6217 0.8812 0.9155 0.1124 0.0288 -0.0353 85 GLY c CA ? ? 1 +33743 C C . GLY W 67 0.6263 0.8895 0.9173 0.1186 0.0331 -0.0366 85 GLY c C ? ? 1 +33744 O O . GLY W 67 0.6284 0.8915 0.9151 0.1154 0.0331 -0.0379 85 GLY c O ? ? 1 +33745 N N . LEU W 68 0.6282 0.8951 0.9220 0.1276 0.0368 -0.0361 86 LEU c N ? ? 1 +33746 C CA . LEU W 68 0.6338 0.9035 0.9247 0.1343 0.0416 -0.0374 86 LEU c CA ? ? 1 +33747 C CB . LEU W 68 0.6478 0.9087 0.9324 0.1439 0.0444 -0.0387 86 LEU c CB ? ? 1 +33748 C CG . LEU W 68 0.6698 0.9082 0.9363 0.1448 0.0434 -0.0418 86 LEU c CG ? ? 1 +33749 C CD1 . LEU W 68 0.6722 0.9007 0.9334 0.1356 0.0386 -0.0422 86 LEU c CD1 ? ? 1 +33750 C CD2 . LEU W 68 0.6794 0.9100 0.9427 0.1527 0.0444 -0.0419 86 LEU c CD2 ? ? 1 +33751 C C . LEU W 68 0.6164 0.9072 0.9229 0.1351 0.0440 -0.0349 86 LEU c C ? ? 1 +33752 O O . LEU W 68 0.6062 0.9082 0.9253 0.1362 0.0436 -0.0324 86 LEU c O ? ? 1 +33753 N N . ILE W 69 0.6157 0.9113 0.9209 0.1345 0.0465 -0.0355 87 ILE c N ? ? 1 +33754 C CA . ILE W 69 0.6008 0.9151 0.9193 0.1359 0.0498 -0.0335 87 ILE c CA ? ? 1 +33755 C CB . ILE W 69 0.5904 0.9129 0.9141 0.1273 0.0474 -0.0320 87 ILE c CB ? ? 1 +33756 C CG1 . ILE W 69 0.6030 0.9145 0.9128 0.1237 0.0466 -0.0344 87 ILE c CG1 ? ? 1 +33757 C CG2 . ILE W 69 0.5801 0.9049 0.9110 0.1206 0.0421 -0.0301 87 ILE c CG2 ? ? 1 +33758 C CD1 . ILE W 69 0.5921 0.9113 0.9065 0.1157 0.0439 -0.0330 87 ILE c CD1 ? ? 1 +33759 C C . ILE W 69 0.6078 0.9232 0.9222 0.1434 0.0558 -0.0350 87 ILE c C ? ? 1 +33760 O O . ILE W 69 0.5978 0.9281 0.9235 0.1469 0.0596 -0.0336 87 ILE c O ? ? 1 +33761 N N . LEU W 70 0.6253 0.9248 0.9235 0.1459 0.0569 -0.0381 88 LEU c N ? ? 1 +33762 C CA . LEU W 70 0.6345 0.9337 0.9274 0.1529 0.0628 -0.0398 88 LEU c CA ? ? 1 +33763 C CB . LEU W 70 0.6489 0.9341 0.9252 0.1503 0.0625 -0.0425 88 LEU c CB ? ? 1 +33764 C CG . LEU W 70 0.6402 0.9307 0.9179 0.1421 0.0602 -0.0415 88 LEU c CG ? ? 1 +33765 C CD1 . LEU W 70 0.6564 0.9358 0.9184 0.1421 0.0616 -0.0443 88 LEU c CD1 ? ? 1 +33766 C CD2 . LEU W 70 0.6225 0.9330 0.9160 0.1414 0.0629 -0.0384 88 LEU c CD2 ? ? 1 +33767 C C . LEU W 70 0.6435 0.9384 0.9344 0.1626 0.0659 -0.0411 88 LEU c C ? ? 1 +33768 O O . LEU W 70 0.6400 0.9456 0.9383 0.1690 0.0709 -0.0408 88 LEU c O ? ? 1 +33769 N N . ILE W 71 0.6553 0.9347 0.9367 0.1638 0.0630 -0.0425 89 ILE c N ? ? 1 +33770 C CA . ILE W 71 0.6647 0.9390 0.9438 0.1731 0.0653 -0.0436 89 ILE c CA ? ? 1 +33771 C CB . ILE W 71 0.6791 0.9334 0.9453 0.1723 0.0612 -0.0452 89 ILE c CB ? ? 1 +33772 C CG1 . ILE W 71 0.6988 0.9353 0.9463 0.1709 0.0615 -0.0485 89 ILE c CG1 ? ? 1 +33773 C CG2 . ILE W 71 0.6873 0.9375 0.9533 0.1813 0.0624 -0.0454 89 ILE c CG2 ? ? 1 +33774 C CD1 . ILE W 71 0.7157 0.9310 0.9488 0.1699 0.0581 -0.0506 89 ILE c CD1 ? ? 1 +33775 C C . ILE W 71 0.6496 0.9414 0.9462 0.1774 0.0665 -0.0411 89 ILE c C ? ? 1 +33776 O O . ILE W 71 0.6553 0.9509 0.9544 0.1863 0.0707 -0.0420 89 ILE c O ? ? 1 +33777 N N . PRO W 72 0.6302 0.9332 0.9395 0.1715 0.0630 -0.0382 90 PRO c N ? ? 1 +33778 C CA . PRO W 72 0.6146 0.9359 0.9415 0.1748 0.0641 -0.0359 90 PRO c CA ? ? 1 +33779 C CB . PRO W 72 0.5982 0.9269 0.9343 0.1657 0.0594 -0.0331 90 PRO c CB ? ? 1 +33780 C CG . PRO W 72 0.6074 0.9184 0.9301 0.1597 0.0550 -0.0341 90 PRO c CG ? ? 1 +33781 C CD . PRO W 72 0.6246 0.9228 0.9321 0.1615 0.0575 -0.0372 90 PRO c CD ? ? 1 +33782 C C . PRO W 72 0.6084 0.9455 0.9446 0.1785 0.0699 -0.0358 90 PRO c C ? ? 1 +33783 O O . PRO W 72 0.6034 0.9522 0.9506 0.1849 0.0724 -0.0353 90 PRO c O ? ? 1 +33784 N N . HIS W 73 0.6080 0.9458 0.9401 0.1743 0.0720 -0.0363 91 HIS c N ? ? 1 +33785 C CA . HIS W 73 0.6044 0.9552 0.9432 0.1774 0.0781 -0.0363 91 HIS c CA ? ? 1 +33786 C CB . HIS W 73 0.6010 0.9522 0.9353 0.1706 0.0789 -0.0360 91 HIS c CB ? ? 1 +33787 C CG . HIS W 73 0.5802 0.9439 0.9265 0.1624 0.0760 -0.0330 91 HIS c CG ? ? 1 +33788 N ND1 . HIS W 73 0.5665 0.9469 0.9248 0.1616 0.0798 -0.0313 91 HIS c ND1 ? ? 1 +33789 C CE1 . HIS W 73 0.5525 0.9399 0.9189 0.1540 0.0758 -0.0288 91 HIS c CE1 ? ? 1 +33790 N NE2 . HIS W 73 0.5548 0.9313 0.9151 0.1499 0.0698 -0.0289 91 HIS c NE2 ? ? 1 +33791 C CD2 . HIS W 73 0.5717 0.9330 0.9193 0.1551 0.0699 -0.0315 91 HIS c CD2 ? ? 1 +33792 C C . HIS W 73 0.6217 0.9670 0.9535 0.1872 0.0833 -0.0390 91 HIS c C ? ? 1 +33793 O O . HIS W 73 0.6191 0.9778 0.9615 0.1930 0.0880 -0.0389 91 HIS c O ? ? 1 +33794 N N . ILE W 74 0.6406 0.9664 0.9548 0.1891 0.0825 -0.0416 92 ILE c N ? ? 1 +33795 C CA . ILE W 74 0.6583 0.9767 0.9639 0.1986 0.0873 -0.0444 92 ILE c CA ? ? 1 +33796 C CB . ILE W 74 0.6782 0.9736 0.9625 0.1982 0.0859 -0.0472 92 ILE c CB ? ? 1 +33797 C CG1 . ILE W 74 0.6789 0.9700 0.9551 0.1903 0.0852 -0.0475 92 ILE c CG1 ? ? 1 +33798 C CG2 . ILE W 74 0.6962 0.9839 0.9714 0.2085 0.0912 -0.0502 92 ILE c CG2 ? ? 1 +33799 C CD1 . ILE W 74 0.6960 0.9652 0.9531 0.1878 0.0819 -0.0500 92 ILE c CD1 ? ? 1 +33800 C C . ILE W 74 0.6592 0.9815 0.9724 0.2067 0.0874 -0.0444 92 ILE c C ? ? 1 +33801 O O . ILE W 74 0.6608 0.9902 0.9785 0.2150 0.0925 -0.0455 92 ILE c O ? ? 1 +33802 N N . ALA W 75 0.6586 0.9760 0.9728 0.2044 0.0816 -0.0431 93 ALA c N ? ? 1 +33803 C CA . ALA W 75 0.6608 0.9805 0.9811 0.2116 0.0806 -0.0429 93 ALA c CA ? ? 1 +33804 C CB . ALA W 75 0.6585 0.9696 0.9766 0.2069 0.0740 -0.0414 93 ALA c CB ? ? 1 +33805 C C . ALA W 75 0.6472 0.9901 0.9876 0.2150 0.0833 -0.0413 93 ALA c C ? ? 1 +33806 O O . ALA W 75 0.6529 1.0003 0.9981 0.2241 0.0856 -0.0424 93 ALA c O ? ? 1 +33807 N N . THR W 76 0.6323 0.9896 0.9846 0.2075 0.0827 -0.0390 94 THR c N ? ? 1 +33808 C CA . THR W 76 0.6169 0.9965 0.9887 0.2093 0.0851 -0.0375 94 THR c CA ? ? 1 +33809 C CB . THR W 76 0.5988 0.9895 0.9796 0.1991 0.0835 -0.0348 94 THR c CB ? ? 1 +33810 O OG1 . THR W 76 0.5942 0.9777 0.9725 0.1925 0.0768 -0.0331 94 THR c OG1 ? ? 1 +33811 C CG2 . THR W 76 0.5813 0.9949 0.9825 0.1999 0.0857 -0.0332 94 THR c CG2 ? ? 1 +33812 C C . THR W 76 0.6238 1.0113 0.9985 0.2169 0.0924 -0.0395 94 THR c C ? ? 1 +33813 O O . THR W 76 0.6137 1.0168 1.0028 0.2223 0.0948 -0.0394 94 THR c O ? ? 1 +33814 N N . LEU W 77 0.6395 1.0163 1.0005 0.2171 0.0961 -0.0414 95 LEU c N ? ? 1 +33815 C CA . LEU W 77 0.6495 1.0317 1.0111 0.2240 0.1036 -0.0435 95 LEU c CA ? ? 1 +33816 C CB . LEU W 77 0.6596 1.0328 1.0079 0.2198 0.1067 -0.0444 95 LEU c CB ? ? 1 +33817 C CG . LEU W 77 0.6469 1.0293 1.0014 0.2099 0.1061 -0.0420 95 LEU c CG ? ? 1 +33818 C CD1 . LEU W 77 0.6578 1.0306 0.9981 0.2069 0.1092 -0.0431 95 LEU c CD1 ? ? 1 +33819 C CD2 . LEU W 77 0.6316 1.0372 1.0063 0.2104 0.1099 -0.0403 95 LEU c CD2 ? ? 1 +33820 C C . LEU W 77 0.6644 1.0386 1.0199 0.2350 0.1054 -0.0462 95 LEU c C ? ? 1 +33821 O O . LEU W 77 0.6711 1.0484 1.0260 0.2416 0.1117 -0.0482 95 LEU c O ? ? 1 +33822 N N . GLY W 78 0.6714 1.0350 1.0221 0.2372 0.1001 -0.0462 96 GLY c N ? ? 1 +33823 C CA . GLY W 78 0.6869 1.0437 1.0332 0.2481 0.1011 -0.0484 96 GLY c CA ? ? 1 +33824 C C . GLY W 78 0.7119 1.0444 1.0361 0.2507 0.1009 -0.0509 96 GLY c C ? ? 1 +33825 O O . GLY W 78 0.7292 1.0536 1.0474 0.2600 0.1019 -0.0530 96 GLY c O ? ? 1 +33826 N N . TRP W 79 0.7188 1.0394 1.0307 0.2427 0.0995 -0.0509 97 TRP c N ? ? 1 +33827 C CA . TRP W 79 0.7420 1.0393 1.0326 0.2442 0.0992 -0.0535 97 TRP c CA ? ? 1 +33828 C CB . TRP W 79 0.7474 1.0397 1.0283 0.2382 0.1017 -0.0544 97 TRP c CB ? ? 1 +33829 C CG . TRP W 79 0.7544 1.0537 1.0359 0.2440 0.1095 -0.0561 97 TRP c CG ? ? 1 +33830 C CD1 . TRP W 79 0.7695 1.0654 1.0469 0.2547 0.1142 -0.0588 97 TRP c CD1 ? ? 1 +33831 N NE1 . TRP W 79 0.7728 1.0773 1.0522 0.2569 0.1214 -0.0598 97 TRP c NE1 ? ? 1 +33832 C CE2 . TRP W 79 0.7587 1.0714 1.0428 0.2476 0.1212 -0.0577 97 TRP c CE2 ? ? 1 +33833 C CZ2 . TRP W 79 0.7572 1.0793 1.0439 0.2458 0.1272 -0.0576 97 TRP c CZ2 ? ? 1 +33834 C CH2 . TRP W 79 0.7434 1.0717 1.0342 0.2360 0.1252 -0.0552 97 TRP c CH2 ? ? 1 +33835 C CZ3 . TRP W 79 0.7340 1.0601 1.0269 0.2280 0.1176 -0.0530 97 TRP c CZ3 ? ? 1 +33836 C CE3 . TRP W 79 0.7370 1.0541 1.0275 0.2295 0.1119 -0.0531 97 TRP c CE3 ? ? 1 +33837 C CD2 . TRP W 79 0.7478 1.0578 1.0336 0.2395 0.1137 -0.0555 97 TRP c CD2 ? ? 1 +33838 C C . TRP W 79 0.7485 1.0295 1.0298 0.2404 0.0923 -0.0529 97 TRP c C ? ? 1 +33839 O O . TRP W 79 0.7384 1.0211 1.0232 0.2312 0.0877 -0.0507 97 TRP c O ? ? 1 +33840 N N . GLY W 80 0.7701 1.0350 1.0393 0.2477 0.0919 -0.0550 98 GLY c N ? ? 1 +33841 C CA . GLY W 80 0.7830 1.0283 1.0395 0.2445 0.0863 -0.0551 98 GLY c CA ? ? 1 +33842 C C . GLY W 80 0.7809 1.0292 1.0456 0.2461 0.0818 -0.0529 98 GLY c C ? ? 1 +33843 O O . GLY W 80 0.7950 1.0269 1.0494 0.2437 0.0774 -0.0528 98 GLY c O ? ? 1 +33844 N N . VAL W 81 0.7692 1.0379 1.0521 0.2500 0.0830 -0.0513 99 VAL c N ? ? 1 +33845 C CA . VAL W 81 0.7627 1.0367 1.0549 0.2505 0.0784 -0.0490 99 VAL c CA ? ? 1 +33846 C CB . VAL W 81 0.7404 1.0322 1.0486 0.2413 0.0760 -0.0458 99 VAL c CB ? ? 1 +33847 C CG1 . VAL W 81 0.7371 1.0187 1.0370 0.2295 0.0725 -0.0449 99 VAL c CG1 ? ? 1 +33848 C CG2 . VAL W 81 0.7280 1.0417 1.0512 0.2422 0.0810 -0.0456 99 VAL c CG2 ? ? 1 +33849 C C . VAL W 81 0.7680 1.0507 1.0685 0.2625 0.0804 -0.0497 99 VAL c C ? ? 1 +33850 O O . VAL W 81 0.7731 1.0649 1.0781 0.2691 0.0858 -0.0514 99 VAL c O ? ? 1 +33851 N N . GLY W 82 0.7716 1.0516 1.0742 0.2651 0.0759 -0.0483 100 GLY c N ? ? 1 +33852 C CA . GLY W 82 0.7781 1.0658 1.0886 0.2765 0.0765 -0.0488 100 GLY c CA ? ? 1 +33853 C C . GLY W 82 0.7670 1.0668 1.0914 0.2746 0.0717 -0.0458 100 GLY c C ? ? 1 +33854 O O . GLY W 82 0.7523 1.0599 1.0840 0.2647 0.0693 -0.0435 100 GLY c O ? ? 1 +33855 N N . PRO W 83 0.7789 1.0800 1.1067 0.2842 0.0699 -0.0460 101 PRO c N ? ? 1 +33856 C CA . PRO W 83 0.7684 1.0819 1.1097 0.2835 0.0654 -0.0434 101 PRO c CA ? ? 1 +33857 C CB . PRO W 83 0.7796 1.0860 1.1167 0.2958 0.0638 -0.0444 101 PRO c CB ? ? 1 +33858 C CG . PRO W 83 0.7933 1.0956 1.1239 0.3046 0.0694 -0.0479 101 PRO c CG ? ? 1 +33859 C CD . PRO W 83 0.7980 1.0887 1.1165 0.2966 0.0721 -0.0487 101 PRO c CD ? ? 1 +33860 C C . PRO W 83 0.7668 1.0723 1.1040 0.2723 0.0604 -0.0406 101 PRO c C ? ? 1 +33861 O O . PRO W 83 0.7846 1.0686 1.1049 0.2691 0.0586 -0.0407 101 PRO c O ? ? 1 +33862 N N . GLY W 84 0.7512 1.0744 1.1043 0.2662 0.0583 -0.0381 102 GLY c N ? ? 1 +33863 C CA . GLY W 84 0.7475 1.0661 1.0992 0.2557 0.0537 -0.0354 102 GLY c CA ? ? 1 +33864 C C . GLY W 84 0.7498 1.0626 1.0952 0.2445 0.0547 -0.0352 102 GLY c C ? ? 1 +33865 O O . GLY W 84 0.7469 1.0551 1.0905 0.2354 0.0511 -0.0332 102 GLY c O ? ? 1 +33866 N N . GLY W 85 0.7591 1.0726 1.1014 0.2454 0.0595 -0.0374 103 GLY c N ? ? 1 +33867 C CA . GLY W 85 0.7614 1.0685 1.0962 0.2359 0.0605 -0.0376 103 GLY c CA ? ? 1 +33868 C C . GLY W 85 0.7851 1.0662 1.0989 0.2341 0.0591 -0.0390 103 GLY c C ? ? 1 +33869 O O . GLY W 85 0.7821 1.0559 1.0890 0.2251 0.0583 -0.0390 103 GLY c O ? ? 1 +33870 N N . GLU W 86 0.8107 1.0780 1.1144 0.2428 0.0587 -0.0403 104 GLU c N ? ? 1 +33871 C CA . GLU W 86 0.8373 1.0791 1.1206 0.2418 0.0577 -0.0419 104 GLU c CA ? ? 1 +33872 C CB . GLU W 86 0.8738 1.1024 1.1485 0.2519 0.0566 -0.0426 104 GLU c CB ? ? 1 +33873 C CG . GLU W 86 0.9119 1.1134 1.1659 0.2492 0.0547 -0.0436 104 GLU c CG ? ? 1 +33874 C CD . GLU W 86 0.9483 1.1339 1.1916 0.2588 0.0536 -0.0443 104 GLU c CD ? ? 1 +33875 O OE1 . GLU W 86 0.9648 1.1579 1.2133 0.2700 0.0554 -0.0450 104 GLU c OE1 ? ? 1 +33876 O OE2 . GLU W 86 0.9778 1.1431 1.2071 0.2550 0.0509 -0.0440 104 GLU c OE2 ? ? 1 +33877 C C . GLU W 86 0.8312 1.0668 1.1050 0.2421 0.0621 -0.0448 104 GLU c C ? ? 1 +33878 O O . GLU W 86 0.8247 1.0706 1.1040 0.2489 0.0665 -0.0462 104 GLU c O ? ? 1 +33879 N N . VAL W 87 0.8283 1.0472 1.0880 0.2346 0.0608 -0.0457 105 VAL c N ? ? 1 +33880 C CA . VAL W 87 0.8290 1.0393 1.0774 0.2346 0.0644 -0.0486 105 VAL c CA ? ? 1 +33881 C CB . VAL W 87 0.8267 1.0259 1.0656 0.2229 0.0619 -0.0490 105 VAL c CB ? ? 1 +33882 C CG1 . VAL W 87 0.8409 1.0274 1.0649 0.2241 0.0652 -0.0524 105 VAL c CG1 ? ? 1 +33883 C CG2 . VAL W 87 0.8000 1.0175 1.0534 0.2136 0.0606 -0.0465 105 VAL c CG2 ? ? 1 +33884 C C . VAL W 87 0.8440 1.0366 1.0776 0.2447 0.0663 -0.0514 105 VAL c C ? ? 1 +33885 O O . VAL W 87 0.8553 1.0297 1.0771 0.2451 0.0634 -0.0515 105 VAL c O ? ? 1 +33886 N N . VAL W 88 0.8448 1.0428 1.0790 0.2528 0.0714 -0.0535 106 VAL c N ? ? 1 +33887 C CA . VAL W 88 0.8618 1.0447 1.0827 0.2633 0.0740 -0.0564 106 VAL c CA ? ? 1 +33888 C CB . VAL W 88 0.8535 1.0522 1.0863 0.2752 0.0779 -0.0569 106 VAL c CB ? ? 1 +33889 C CG1 . VAL W 88 0.8405 1.0507 1.0869 0.2780 0.0745 -0.0542 106 VAL c CG1 ? ? 1 +33890 C CG2 . VAL W 88 0.8401 1.0584 1.0846 0.2744 0.0828 -0.0573 106 VAL c CG2 ? ? 1 +33891 C C . VAL W 88 0.8778 1.0460 1.0825 0.2620 0.0769 -0.0595 106 VAL c C ? ? 1 +33892 O O . VAL W 88 0.9009 1.0506 1.0902 0.2683 0.0780 -0.0621 106 VAL c O ? ? 1 +33893 N N . ASP W 89 0.8686 1.0450 1.0767 0.2540 0.0781 -0.0595 107 ASP c N ? ? 1 +33894 C CA . ASP W 89 0.8810 1.0469 1.0756 0.2534 0.0813 -0.0625 107 ASP c CA ? ? 1 +33895 C CB . ASP W 89 0.8881 1.0628 1.0859 0.2639 0.0879 -0.0644 107 ASP c CB ? ? 1 +33896 C CG . ASP W 89 0.9094 1.0723 1.0920 0.2654 0.0919 -0.0678 107 ASP c CG ? ? 1 +33897 O OD1 . ASP W 89 0.9184 1.0646 1.0866 0.2584 0.0893 -0.0690 107 ASP c OD1 ? ? 1 +33898 O OD2 . ASP W 89 0.9214 1.0917 1.1066 0.2735 0.0977 -0.0693 107 ASP c OD2 ? ? 1 +33899 C C . ASP W 89 0.8660 1.0386 1.0636 0.2418 0.0803 -0.0616 107 ASP c C ? ? 1 +33900 O O . ASP W 89 0.8490 1.0419 1.0613 0.2400 0.0823 -0.0600 107 ASP c O ? ? 1 +33901 N N . THR W 90 0.8709 1.0262 1.0544 0.2341 0.0770 -0.0628 108 THR c N ? ? 1 +33902 C CA . THR W 90 0.8574 1.0170 1.0421 0.2232 0.0753 -0.0622 108 THR c CA ? ? 1 +33903 C CB . THR W 90 0.8608 1.0028 1.0341 0.2143 0.0698 -0.0627 108 THR c CB ? ? 1 +33904 O OG1 . THR W 90 0.8830 1.0026 1.0366 0.2178 0.0706 -0.0663 108 THR c OG1 ? ? 1 +33905 C CG2 . THR W 90 0.8538 0.9952 1.0331 0.2122 0.0655 -0.0602 108 THR c CG2 ? ? 1 +33906 C C . THR W 90 0.8665 1.0258 1.0441 0.2241 0.0797 -0.0646 108 THR c C ? ? 1 +33907 O O . THR W 90 0.8598 1.0241 1.0387 0.2161 0.0788 -0.0642 108 THR c O ? ? 1 +33908 N N . PHE W 91 0.8855 1.0383 1.0550 0.2340 0.0845 -0.0672 109 PHE c N ? ? 1 +33909 C CA . PHE W 91 0.8980 1.0472 1.0579 0.2353 0.0888 -0.0698 109 PHE c CA ? ? 1 +33910 C CB . PHE W 91 0.9235 1.0627 1.0732 0.2472 0.0937 -0.0729 109 PHE c CB ? ? 1 +33911 C CG . PHE W 91 0.9446 1.0777 1.0823 0.2488 0.0983 -0.0758 109 PHE c CG ? ? 1 +33912 C CD1 . PHE W 91 0.9613 1.0759 1.0814 0.2429 0.0958 -0.0782 109 PHE c CD1 ? ? 1 +33913 C CD2 . PHE W 91 0.9505 1.0969 1.0947 0.2559 0.1051 -0.0762 109 PHE c CD2 ? ? 1 +33914 C CE1 . PHE W 91 0.9760 1.0847 1.0843 0.2445 0.0998 -0.0810 109 PHE c CE1 ? ? 1 +33915 C CE2 . PHE W 91 0.9662 1.1066 1.0987 0.2573 0.1096 -0.0789 109 PHE c CE2 ? ? 1 +33916 C CZ . PHE W 91 0.9783 1.0996 1.0925 0.2518 0.1068 -0.0812 109 PHE c CZ ? ? 1 +33917 C C . PHE W 91 0.8769 1.0477 1.0506 0.2330 0.0922 -0.0681 109 PHE c C ? ? 1 +33918 O O . PHE W 91 0.8761 1.0450 1.0434 0.2278 0.0929 -0.0690 109 PHE c O ? ? 1 +33919 N N . PRO W 92 0.8570 1.0484 1.0493 0.2369 0.0945 -0.0657 110 PRO c N ? ? 1 +33920 C CA . PRO W 92 0.8373 1.0490 1.0430 0.2339 0.0977 -0.0639 110 PRO c CA ? ? 1 +33921 C CB . PRO W 92 0.8229 1.0537 1.0480 0.2393 0.0991 -0.0616 110 PRO c CB ? ? 1 +33922 C CG . PRO W 92 0.8371 1.0568 1.0557 0.2490 0.0995 -0.0634 110 PRO c CG ? ? 1 +33923 C CD . PRO W 92 0.8537 1.0499 1.0546 0.2446 0.0944 -0.0648 110 PRO c CD ? ? 1 +33924 C C . PRO W 92 0.8212 1.0359 1.0290 0.2218 0.0932 -0.0620 110 PRO c C ? ? 1 +33925 O O . PRO W 92 0.8135 1.0345 1.0216 0.2182 0.0956 -0.0619 110 PRO c O ? ? 1 +33926 N N . PHE W 93 0.8160 1.0255 1.0246 0.2156 0.0868 -0.0606 111 PHE c N ? ? 1 +33927 C CA . PHE W 93 0.8079 1.0192 1.0181 0.2042 0.0822 -0.0591 111 PHE c CA ? ? 1 +33928 C CB . PHE W 93 0.8043 1.0111 1.0173 0.1984 0.0757 -0.0574 111 PHE c CB ? ? 1 +33929 C CG . PHE W 93 0.7953 1.0145 1.0235 0.2025 0.0753 -0.0549 111 PHE c CG ? ? 1 +33930 C CD1 . PHE W 93 0.7815 1.0223 1.0268 0.2049 0.0785 -0.0527 111 PHE c CD1 ? ? 1 +33931 C CD2 . PHE W 93 0.8022 1.0110 1.0272 0.2038 0.0717 -0.0547 111 PHE c CD2 ? ? 1 +33932 C CE1 . PHE W 93 0.7719 1.0241 1.0311 0.2087 0.0778 -0.0507 111 PHE c CE1 ? ? 1 +33933 C CE2 . PHE W 93 0.7933 1.0130 1.0315 0.2079 0.0711 -0.0524 111 PHE c CE2 ? ? 1 +33934 C CZ . PHE W 93 0.7778 1.0195 1.0332 0.2104 0.0740 -0.0505 111 PHE c CZ ? ? 1 +33935 C C . PHE W 93 0.8196 1.0157 1.0123 0.2002 0.0818 -0.0619 111 PHE c C ? ? 1 +33936 O O . PHE W 93 0.8104 1.0126 1.0044 0.1941 0.0815 -0.0613 111 PHE c O ? ? 1 +33937 N N . PHE W 94 0.8394 1.0153 1.0154 0.2039 0.0815 -0.0651 112 PHE c N ? ? 1 +33938 C CA . PHE W 94 0.8552 1.0150 1.0131 0.2011 0.0812 -0.0683 112 PHE c CA ? ? 1 +33939 C CB . PHE W 94 0.8790 1.0168 1.0201 0.2067 0.0811 -0.0716 112 PHE c CB ? ? 1 +33940 C CG . PHE W 94 0.8976 1.0167 1.0192 0.2030 0.0796 -0.0752 112 PHE c CG ? ? 1 +33941 C CD1 . PHE W 94 0.8960 1.0087 1.0137 0.1925 0.0735 -0.0754 112 PHE c CD1 ? ? 1 +33942 C CD2 . PHE W 94 0.9163 1.0244 1.0238 0.2101 0.0842 -0.0785 112 PHE c CD2 ? ? 1 +33943 C CE1 . PHE W 94 0.9138 1.0096 1.0138 0.1891 0.0718 -0.0790 112 PHE c CE1 ? ? 1 +33944 C CE2 . PHE W 94 0.9339 1.0246 1.0231 0.2067 0.0826 -0.0819 112 PHE c CE2 ? ? 1 +33945 C CZ . PHE W 94 0.9329 1.0175 1.0185 0.1962 0.0762 -0.0822 112 PHE c CZ ? ? 1 +33946 C C . PHE W 94 0.8555 1.0222 1.0116 0.2040 0.0869 -0.0691 112 PHE c C ? ? 1 +33947 O O . PHE W 94 0.8550 1.0196 1.0051 0.1979 0.0856 -0.0697 112 PHE c O ? ? 1 +33948 N N . VAL W 95 0.8550 1.0298 1.0163 0.2135 0.0932 -0.0692 113 VAL c N ? ? 1 +33949 C CA . VAL W 95 0.8563 1.0376 1.0161 0.2170 0.0996 -0.0700 113 VAL c CA ? ? 1 +33950 C CB . VAL W 95 0.8571 1.0469 1.0237 0.2282 0.1064 -0.0703 113 VAL c CB ? ? 1 +33951 C CG1 . VAL W 95 0.8554 1.0569 1.0253 0.2307 0.1134 -0.0702 113 VAL c CG1 ? ? 1 +33952 C CG2 . VAL W 95 0.8780 1.0490 1.0295 0.2363 0.1075 -0.0737 113 VAL c CG2 ? ? 1 +33953 C C . VAL W 95 0.8385 1.0366 1.0099 0.2098 0.0994 -0.0671 113 VAL c C ? ? 1 +33954 O O . VAL W 95 0.8426 1.0376 1.0054 0.2066 0.1006 -0.0681 113 VAL c O ? ? 1 +33955 N N . VAL W 96 0.8203 1.0358 1.0106 0.2076 0.0981 -0.0637 114 VAL c N ? ? 1 +33956 C CA . VAL W 96 0.8029 1.0351 1.0055 0.2011 0.0981 -0.0608 114 VAL c CA ? ? 1 +33957 C CB . VAL W 96 0.7817 1.0318 1.0052 0.1997 0.0963 -0.0572 114 VAL c CB ? ? 1 +33958 C CG1 . VAL W 96 0.7638 1.0252 0.9969 0.1899 0.0928 -0.0543 114 VAL c CG1 ? ? 1 +33959 C CG2 . VAL W 96 0.7783 1.0438 1.0145 0.2079 0.1029 -0.0566 114 VAL c CG2 ? ? 1 +33960 C C . VAL W 96 0.8066 1.0302 1.0001 0.1914 0.0926 -0.0610 114 VAL c C ? ? 1 +33961 O O . VAL W 96 0.8092 1.0383 1.0022 0.1878 0.0941 -0.0604 114 VAL c O ? ? 1 +33962 N N . GLY W 97 0.8100 1.0200 0.9961 0.1874 0.0864 -0.0621 115 GLY c N ? ? 1 +33963 C CA . GLY W 97 0.8113 1.0128 0.9890 0.1783 0.0807 -0.0628 115 GLY c CA ? ? 1 +33964 C C . GLY W 97 0.8302 1.0187 0.9897 0.1789 0.0825 -0.0660 115 GLY c C ? ? 1 +33965 O O . GLY W 97 0.8280 1.0197 0.9857 0.1736 0.0815 -0.0656 115 GLY c O ? ? 1 +33966 N N . VAL W 98 0.8508 1.0242 0.9966 0.1857 0.0851 -0.0692 116 VAL c N ? ? 1 +33967 C CA . VAL W 98 0.8709 1.0301 0.9979 0.1872 0.0869 -0.0727 116 VAL c CA ? ? 1 +33968 C CB . VAL W 98 0.8922 1.0347 1.0057 0.1955 0.0895 -0.0761 116 VAL c CB ? ? 1 +33969 C CG1 . VAL W 98 0.9117 1.0417 1.0069 0.1990 0.0931 -0.0796 116 VAL c CG1 ? ? 1 +33970 C CG2 . VAL W 98 0.8993 1.0266 1.0063 0.1920 0.0831 -0.0776 116 VAL c CG2 ? ? 1 +33971 C C . VAL W 98 0.8681 1.0379 0.9966 0.1894 0.0928 -0.0719 116 VAL c C ? ? 1 +33972 O O . VAL W 98 0.8737 1.0386 0.9924 0.1852 0.0916 -0.0730 116 VAL c O ? ? 1 +33973 N N . VAL W 99 0.8591 1.0432 0.9997 0.1959 0.0993 -0.0701 117 VAL c N ? ? 1 +33974 C CA . VAL W 99 0.8582 1.0514 0.9996 0.1987 0.1061 -0.0696 117 VAL c CA ? ? 1 +33975 C CB . VAL W 99 0.8506 1.0582 1.0054 0.2070 0.1135 -0.0683 117 VAL c CB ? ? 1 +33976 C CG1 . VAL W 99 0.8520 1.0684 1.0070 0.2094 0.1210 -0.0678 117 VAL c CG1 ? ? 1 +33977 C CG2 . VAL W 99 0.8652 1.0619 1.0128 0.2160 0.1158 -0.0711 117 VAL c CG2 ? ? 1 +33978 C C . VAL W 99 0.8439 1.0479 0.9921 0.1903 0.1036 -0.0668 117 VAL c C ? ? 1 +33979 O O . VAL W 99 0.8531 1.0546 0.9922 0.1890 0.1058 -0.0675 117 VAL c O ? ? 1 +33980 N N . HIS W 100 0.8250 1.0402 0.9885 0.1846 0.0989 -0.0638 118 HIS c N ? ? 1 +33981 C CA . HIS W 100 0.8107 1.0349 0.9803 0.1762 0.0955 -0.0613 118 HIS c CA ? ? 1 +33982 C CB . HIS W 100 0.7929 1.0285 0.9797 0.1712 0.0906 -0.0583 118 HIS c CB ? ? 1 +33983 C CG . HIS W 100 0.7788 1.0341 0.9845 0.1743 0.0953 -0.0553 118 HIS c CG ? ? 1 +33984 N ND1 . HIS W 100 0.7687 1.0383 0.9835 0.1715 0.0979 -0.0527 118 HIS c ND1 ? ? 1 +33985 C CE1 . HIS W 100 0.7560 1.0409 0.9871 0.1751 0.1017 -0.0506 118 HIS c CE1 ? ? 1 +33986 N NE2 . HIS W 100 0.7593 1.0407 0.9922 0.1804 0.1014 -0.0518 118 HIS c NE2 ? ? 1 +33987 C CD2 . HIS W 100 0.7735 1.0357 0.9900 0.1799 0.0975 -0.0546 118 HIS c CD2 ? ? 1 +33988 C C . HIS W 100 0.8178 1.0273 0.9711 0.1703 0.0902 -0.0636 118 HIS c C ? ? 1 +33989 O O . HIS W 100 0.8148 1.0262 0.9637 0.1674 0.0909 -0.0631 118 HIS c O ? ? 1 +33990 N N . LEU W 101 0.8262 1.0208 0.9703 0.1687 0.0849 -0.0661 119 LEU c N ? ? 1 +33991 C CA . LEU W 101 0.8357 1.0163 0.9653 0.1627 0.0790 -0.0685 119 LEU c CA ? ? 1 +33992 C CB . LEU W 101 0.8432 1.0099 0.9672 0.1608 0.0735 -0.0708 119 LEU c CB ? ? 1 +33993 C CG . LEU W 101 0.8530 1.0061 0.9643 0.1536 0.0665 -0.0735 119 LEU c CG ? ? 1 +33994 C CD1 . LEU W 101 0.8370 1.0012 0.9577 0.1450 0.0615 -0.0711 119 LEU c CD1 ? ? 1 +33995 C CD2 . LEU W 101 0.8604 1.0002 0.9671 0.1520 0.0620 -0.0756 119 LEU c CD2 ? ? 1 +33996 C C . LEU W 101 0.8560 1.0253 0.9673 0.1663 0.0827 -0.0715 119 LEU c C ? ? 1 +33997 O O . LEU W 101 0.8595 1.0260 0.9633 0.1615 0.0799 -0.0720 119 LEU c O ? ? 1 +33998 N N . ILE W 102 0.8698 1.0328 0.9739 0.1750 0.0889 -0.0734 120 ILE c N ? ? 1 +33999 C CA . ILE W 102 0.8877 1.0404 0.9747 0.1792 0.0933 -0.0761 120 ILE c CA ? ? 1 +34000 C CB . ILE W 102 0.9043 1.0490 0.9842 0.1892 0.0997 -0.0785 120 ILE c CB ? ? 1 +34001 C CG1 . ILE W 102 0.9174 1.0455 0.9885 0.1900 0.0953 -0.0815 120 ILE c CG1 ? ? 1 +34002 C CG2 . ILE W 102 0.9220 1.0588 0.9859 0.1942 0.1057 -0.0808 120 ILE c CG2 ? ? 1 +34003 C CD1 . ILE W 102 0.9315 1.0421 0.9861 0.1842 0.0887 -0.0847 120 ILE c CD1 ? ? 1 +34004 C C . ILE W 102 0.8792 1.0447 0.9707 0.1787 0.0979 -0.0736 120 ILE c C ? ? 1 +34005 O O . ILE W 102 0.8899 1.0482 0.9681 0.1770 0.0976 -0.0749 120 ILE c O ? ? 1 +34006 N N . SER W 103 0.8599 1.0440 0.9699 0.1803 0.1021 -0.0700 121 SER c N ? ? 1 +34007 C CA . SER W 103 0.8515 1.0485 0.9671 0.1800 0.1073 -0.0674 121 SER c CA ? ? 1 +34008 C CB . SER W 103 0.8356 1.0521 0.9721 0.1830 0.1124 -0.0641 121 SER c CB ? ? 1 +34009 O OG . SER W 103 0.8438 1.0586 0.9799 0.1919 0.1185 -0.0658 121 SER c OG ? ? 1 +34010 C C . SER W 103 0.8397 1.0398 0.9556 0.1713 0.1016 -0.0657 121 SER c C ? ? 1 +34011 O O . SER W 103 0.8404 1.0434 0.9521 0.1708 0.1050 -0.0647 121 SER c O ? ? 1 +34012 N N . SER W 104 0.8293 1.0285 0.9499 0.1647 0.0933 -0.0653 122 SER c N ? ? 1 +34013 C CA . SER W 104 0.8205 1.0225 0.9420 0.1564 0.0871 -0.0640 122 SER c CA ? ? 1 +34014 C CB . SER W 104 0.8074 1.0100 0.9372 0.1500 0.0788 -0.0636 122 SER c CB ? ? 1 +34015 O OG . SER W 104 0.8219 1.0070 0.9382 0.1494 0.0742 -0.0675 122 SER c OG ? ? 1 +34016 C C . SER W 104 0.8396 1.0269 0.9405 0.1551 0.0850 -0.0669 122 SER c C ? ? 1 +34017 O O . SER W 104 0.8362 1.0274 0.9357 0.1511 0.0836 -0.0655 122 SER c O ? ? 1 +34018 N N . ALA W 105 0.8615 1.0315 0.9462 0.1585 0.0847 -0.0710 123 ALA c N ? ? 1 +34019 C CA . ALA W 105 0.8823 1.0372 0.9461 0.1582 0.0831 -0.0743 123 ALA c CA ? ? 1 +34020 C CB . ALA W 105 0.9023 1.0387 0.9511 0.1620 0.0823 -0.0788 123 ALA c CB ? ? 1 +34021 C C . ALA W 105 0.8915 1.0489 0.9486 0.1625 0.0907 -0.0734 123 ALA c C ? ? 1 +34022 O O . ALA W 105 0.8986 1.0511 0.9447 0.1597 0.0885 -0.0739 123 ALA c O ? ? 1 +34023 N N . VAL W 106 0.8917 1.0566 0.9552 0.1694 0.0996 -0.0721 124 VAL c N ? ? 1 +34024 C CA . VAL W 106 0.8983 1.0670 0.9574 0.1734 0.1077 -0.0710 124 VAL c CA ? ? 1 +34025 C CB . VAL W 106 0.8972 1.0738 0.9646 0.1814 0.1174 -0.0703 124 VAL c CB ? ? 1 +34026 C CG1 . VAL W 106 0.8998 1.0836 0.9662 0.1844 0.1264 -0.0684 124 VAL c CG1 ? ? 1 +34027 C CG2 . VAL W 106 0.9147 1.0762 0.9695 0.1879 0.1192 -0.0744 124 VAL c CG2 ? ? 1 +34028 C C . VAL W 106 0.8860 1.0680 0.9545 0.1677 0.1067 -0.0670 124 VAL c C ? ? 1 +34029 O O . VAL W 106 0.8964 1.0743 0.9534 0.1670 0.1080 -0.0669 124 VAL c O ? ? 1 +34030 N N . LEU W 107 0.8673 1.0647 0.9563 0.1640 0.1046 -0.0637 125 LEU c N ? ? 1 +34031 C CA . LEU W 107 0.8537 1.0644 0.9533 0.1587 0.1036 -0.0598 125 LEU c CA ? ? 1 +34032 C CB . LEU W 107 0.8288 1.0566 0.9521 0.1562 0.1025 -0.0565 125 LEU c CB ? ? 1 +34033 C CG . LEU W 107 0.8208 1.0599 0.9570 0.1624 0.1109 -0.0552 125 LEU c CG ? ? 1 +34034 C CD1 . LEU W 107 0.7972 1.0533 0.9560 0.1591 0.1089 -0.0519 125 LEU c CD1 ? ? 1 +34035 C CD2 . LEU W 107 0.8261 1.0699 0.9595 0.1663 0.1203 -0.0541 125 LEU c CD2 ? ? 1 +34036 C C . LEU W 107 0.8614 1.0646 0.9516 0.1519 0.0948 -0.0606 125 LEU c C ? ? 1 +34037 O O . LEU W 107 0.8598 1.0651 0.9459 0.1497 0.0952 -0.0590 125 LEU c O ? ? 1 +34038 N N . GLY W 108 0.8696 1.0643 0.9569 0.1486 0.0868 -0.0631 126 GLY c N ? ? 1 +34039 C CA . GLY W 108 0.8774 1.0639 0.9551 0.1425 0.0780 -0.0647 126 GLY c CA ? ? 1 +34040 C C . GLY W 108 0.9035 1.0771 0.9597 0.1447 0.0794 -0.0670 126 GLY c C ? ? 1 +34041 O O . GLY W 108 0.9072 1.0807 0.9584 0.1408 0.0756 -0.0662 126 GLY c O ? ? 1 +34042 N N . PHE W 109 0.9272 1.0899 0.9707 0.1513 0.0851 -0.0697 127 PHE c N ? ? 1 +34043 C CA . PHE W 109 0.9566 1.1056 0.9782 0.1542 0.0870 -0.0722 127 PHE c CA ? ? 1 +34044 C CB . PHE W 109 0.9830 1.1204 0.9931 0.1618 0.0930 -0.0755 127 PHE c CB ? ? 1 +34045 C CG . PHE W 109 1.0169 1.1373 1.0026 0.1645 0.0937 -0.0790 127 PHE c CG ? ? 1 +34046 C CD1 . PHE W 109 1.0371 1.1416 1.0080 0.1620 0.0858 -0.0833 127 PHE c CD1 ? ? 1 +34047 C CD2 . PHE W 109 1.0343 1.1543 1.0114 0.1695 0.1023 -0.0780 127 PHE c CD2 ? ? 1 +34048 C CE1 . PHE W 109 1.0671 1.1555 1.0149 0.1646 0.0861 -0.0867 127 PHE c CE1 ? ? 1 +34049 C CE2 . PHE W 109 1.0641 1.1677 1.0177 0.1721 0.1029 -0.0812 127 PHE c CE2 ? ? 1 +34050 C CZ . PHE W 109 1.0804 1.1683 1.0194 0.1698 0.0946 -0.0856 127 PHE c CZ ? ? 1 +34051 C C . PHE W 109 0.9538 1.1106 0.9751 0.1552 0.0929 -0.0689 127 PHE c C ? ? 1 +34052 O O . PHE W 109 0.9608 1.1111 0.9691 0.1532 0.0901 -0.0694 127 PHE c O ? ? 1 +34053 N N . GLY W 110 0.9454 1.1156 0.9806 0.1584 0.1012 -0.0657 128 GLY c N ? ? 1 +34054 C CA . GLY W 110 0.9431 1.1219 0.9801 0.1590 0.1076 -0.0623 128 GLY c CA ? ? 1 +34055 C C . GLY W 110 0.9286 1.1157 0.9733 0.1518 0.1012 -0.0593 128 GLY c C ? ? 1 +34056 O O . GLY W 110 0.9380 1.1232 0.9737 0.1507 0.1020 -0.0580 128 GLY c O ? ? 1 +34057 N N . GLY W 111 0.9105 1.1064 0.9714 0.1470 0.0949 -0.0582 129 GLY c N ? ? 1 +34058 C CA . GLY W 111 0.8971 1.1014 0.9669 0.1402 0.0884 -0.0556 129 GLY c CA ? ? 1 +34059 C C . GLY W 111 0.9114 1.1035 0.9641 0.1370 0.0810 -0.0577 129 GLY c C ? ? 1 +34060 O O . GLY W 111 0.9118 1.1068 0.9620 0.1347 0.0803 -0.0555 129 GLY c O ? ? 1 +34061 N N . VAL W 112 0.9256 1.1037 0.9661 0.1370 0.0755 -0.0622 130 VAL c N ? ? 1 +34062 C CA . VAL W 112 0.9411 1.1074 0.9656 0.1339 0.0676 -0.0649 130 VAL c CA ? ? 1 +34063 C CB . VAL W 112 0.9543 1.1080 0.9713 0.1326 0.0607 -0.0698 130 VAL c CB ? ? 1 +34064 C CG1 . VAL W 112 0.9686 1.1096 0.9681 0.1297 0.0526 -0.0732 130 VAL c CG1 ? ? 1 +34065 C CG2 . VAL W 112 0.9379 1.1007 0.9738 0.1279 0.0556 -0.0690 130 VAL c CG2 ? ? 1 +34066 C C . VAL W 112 0.9581 1.1148 0.9631 0.1380 0.0723 -0.0654 130 VAL c C ? ? 1 +34067 O O . VAL W 112 0.9619 1.1154 0.9580 0.1354 0.0678 -0.0652 130 VAL c O ? ? 1 +34068 N N . TYR W 113 0.9663 1.1185 0.9644 0.1446 0.0815 -0.0661 131 TYR c N ? ? 1 +34069 C CA . TYR W 113 0.9838 1.1275 0.9638 0.1489 0.0874 -0.0663 131 TYR c CA ? ? 1 +34070 C CB . TYR W 113 0.9940 1.1343 0.9697 0.1563 0.0981 -0.0672 131 TYR c CB ? ? 1 +34071 C CG . TYR W 113 1.0087 1.1447 0.9704 0.1603 0.1061 -0.0661 131 TYR c CG ? ? 1 +34072 C CD1 . TYR W 113 1.0301 1.1498 0.9680 0.1615 0.1036 -0.0688 131 TYR c CD1 ? ? 1 +34073 C CD2 . TYR W 113 1.0008 1.1491 0.9732 0.1627 0.1161 -0.0622 131 TYR c CD2 ? ? 1 +34074 C CE1 . TYR W 113 1.0448 1.1598 0.9689 0.1652 0.1112 -0.0676 131 TYR c CE1 ? ? 1 +34075 C CE2 . TYR W 113 1.0145 1.1587 0.9741 0.1660 0.1240 -0.0610 131 TYR c CE2 ? ? 1 +34076 C CZ . TYR W 113 1.0364 1.1635 0.9713 0.1674 0.1216 -0.0636 131 TYR c CZ ? ? 1 +34077 O OH . TYR W 113 1.0493 1.1713 0.9703 0.1708 0.1295 -0.0624 131 TYR c OH ? ? 1 +34078 C C . TYR W 113 0.9745 1.1284 0.9596 0.1469 0.0901 -0.0617 131 TYR c C ? ? 1 +34079 O O . TYR W 113 0.9861 1.1331 0.9575 0.1456 0.0868 -0.0618 131 TYR c O ? ? 1 +34080 N N . HIS W 114 0.9538 1.1239 0.9585 0.1467 0.0959 -0.0577 132 HIS c N ? ? 1 +34081 C CA . HIS W 114 0.9437 1.1238 0.9542 0.1449 0.0993 -0.0531 132 HIS c CA ? ? 1 +34082 C CB . HIS W 114 0.9214 1.1187 0.9537 0.1455 0.1067 -0.0495 132 HIS c CB ? ? 1 +34083 C CG . HIS W 114 0.9303 1.1269 0.9590 0.1520 0.1185 -0.0496 132 HIS c CG ? ? 1 +34084 N ND1 . HIS W 114 0.9438 1.1358 0.9595 0.1547 0.1257 -0.0484 132 HIS c ND1 ? ? 1 +34085 C CE1 . HIS W 114 0.9491 1.1422 0.9654 0.1603 0.1356 -0.0490 132 HIS c CE1 ? ? 1 +34086 N NE2 . HIS W 114 0.9408 1.1387 0.9694 0.1617 0.1348 -0.0505 132 HIS c NE2 ? ? 1 +34087 C CD2 . HIS W 114 0.9281 1.1278 0.9643 0.1564 0.1240 -0.0509 132 HIS c CD2 ? ? 1 +34088 C C . HIS W 114 0.9363 1.1194 0.9498 0.1384 0.0894 -0.0518 132 HIS c C ? ? 1 +34089 O O . HIS W 114 0.9396 1.1228 0.9471 0.1372 0.0897 -0.0495 132 HIS c O ? ? 1 +34090 N N . ALA W 115 0.9303 1.1155 0.9530 0.1342 0.0806 -0.0534 133 ALA c N ? ? 1 +34091 C CA . ALA W 115 0.9250 1.1149 0.9536 0.1279 0.0711 -0.0524 133 ALA c CA ? ? 1 +34092 C CB . ALA W 115 0.9089 1.1048 0.9531 0.1239 0.0645 -0.0535 133 ALA c CB ? ? 1 +34093 C C . ALA W 115 0.9494 1.1260 0.9582 0.1267 0.0637 -0.0550 133 ALA c C ? ? 1 +34094 O O . ALA W 115 0.9479 1.1284 0.9581 0.1231 0.0587 -0.0531 133 ALA c O ? ? 1 +34095 N N A ILE W 116 0.9723 1.1332 0.9628 0.1297 0.0626 -0.0595 134 ILE c N ? ? 1 +34096 N N B ILE W 116 0.9713 1.1323 0.9620 0.1298 0.0628 -0.0595 134 ILE c N ? ? 1 +34097 C CA A ILE W 116 0.9902 1.1383 0.9622 0.1284 0.0547 -0.0626 134 ILE c CA ? ? 1 +34098 C CA B ILE W 116 0.9891 1.1368 0.9608 0.1287 0.0550 -0.0628 134 ILE c CA ? ? 1 +34099 C C A ILE W 116 1.0182 1.1502 0.9655 0.1340 0.0591 -0.0650 134 ILE c C ? ? 1 +34100 C C B ILE W 116 1.0156 1.1498 0.9643 0.1343 0.0608 -0.0639 134 ILE c C ? ? 1 +34101 O O A ILE W 116 1.0334 1.1554 0.9644 0.1334 0.0532 -0.0669 134 ILE c O ? ? 1 +34102 O O B ILE W 116 1.0268 1.1553 0.9623 0.1339 0.0577 -0.0636 134 ILE c O ? ? 1 +34103 C CB A ILE W 116 0.9890 1.1327 0.9628 0.1242 0.0440 -0.0669 134 ILE c CB ? ? 1 +34104 C CB B ILE W 116 0.9921 1.1318 0.9615 0.1263 0.0467 -0.0678 134 ILE c CB ? ? 1 +34105 C CG1 A ILE W 116 1.0009 1.1333 0.9666 0.1276 0.0462 -0.0711 134 ILE c CG1 ? ? 1 +34106 C CG1 B ILE W 116 0.9689 1.1209 0.9587 0.1198 0.0393 -0.0667 134 ILE c CG1 ? ? 1 +34107 C CG2 A ILE W 116 0.9631 1.1224 0.9610 0.1185 0.0396 -0.0645 134 ILE c CG2 ? ? 1 +34108 C CG2 B ILE W 116 1.0132 1.1367 0.9599 0.1265 0.0398 -0.0721 134 ILE c CG2 ? ? 1 +34109 C CD1 A ILE W 116 0.9982 1.1264 0.9667 0.1232 0.0368 -0.0751 134 ILE c CD1 ? ? 1 +34110 C CD1 B ILE W 116 0.9710 1.1162 0.9596 0.1170 0.0317 -0.0711 134 ILE c CD1 ? ? 1 +34111 N N . ARG W 117 1.0266 1.1560 0.9708 0.1396 0.0692 -0.0651 135 ARG c N ? ? 1 +34112 C CA . ARG W 117 1.0568 1.1710 0.9776 0.1452 0.0743 -0.0673 135 ARG c CA ? ? 1 +34113 C CB . ARG W 117 1.0829 1.1873 0.9976 0.1490 0.0764 -0.0717 135 ARG c CB ? ? 1 +34114 C CG . ARG W 117 1.1247 1.2106 1.0128 0.1542 0.0793 -0.0753 135 ARG c CG ? ? 1 +34115 C CD . ARG W 117 1.1514 1.2252 1.0219 0.1517 0.0691 -0.0782 135 ARG c CD ? ? 1 +34116 N NE . ARG W 117 1.1926 1.2495 1.0373 0.1570 0.0728 -0.0809 135 ARG c NE ? ? 1 +34117 C CZ . ARG W 117 1.2138 1.2656 1.0438 0.1587 0.0747 -0.0793 135 ARG c CZ ? ? 1 +34118 N NH1 . ARG W 117 1.2022 1.2642 1.0403 0.1555 0.0734 -0.0750 135 ARG c NH1 ? ? 1 +34119 N NH2 . ARG W 117 1.2436 1.2791 1.0496 0.1638 0.0782 -0.0821 135 ARG c NH2 ? ? 1 +34120 C C . ARG W 117 1.0520 1.1697 0.9703 0.1494 0.0860 -0.0635 135 ARG c C ? ? 1 +34121 O O . ARG W 117 1.0683 1.1755 0.9673 0.1521 0.0882 -0.0638 135 ARG c O ? ? 1 +34122 N N . GLY W 118 1.0286 1.1607 0.9660 0.1500 0.0936 -0.0602 136 GLY c N ? ? 1 +34123 C CA . GLY W 118 1.0265 1.1625 0.9631 0.1540 0.1057 -0.0570 136 GLY c CA ? ? 1 +34124 C C . GLY W 118 1.0206 1.1602 0.9549 0.1517 0.1062 -0.0530 136 GLY c C ? ? 1 +34125 O O . GLY W 118 1.0160 1.1548 0.9486 0.1474 0.0968 -0.0528 136 GLY c O ? ? 1 +34126 N N . PRO W 119 1.0212 1.1649 0.9553 0.1546 0.1174 -0.0497 137 PRO c N ? ? 1 +34127 C CA . PRO W 119 1.0185 1.1654 0.9505 0.1524 0.1188 -0.0455 137 PRO c CA ? ? 1 +34128 C CB . PRO W 119 1.0249 1.1748 0.9563 0.1566 0.1330 -0.0430 137 PRO c CB ? ? 1 +34129 C CG . PRO W 119 1.0194 1.1754 0.9633 0.1596 0.1384 -0.0448 137 PRO c CG ? ? 1 +34130 C CD . PRO W 119 1.0264 1.1723 0.9632 0.1599 0.1293 -0.0498 137 PRO c CD ? ? 1 +34131 C C . PRO W 119 0.9922 1.1550 0.9465 0.1464 0.1130 -0.0423 137 PRO c C ? ? 1 +34132 O O . PRO W 119 0.9764 1.1519 0.9514 0.1451 0.1142 -0.0416 137 PRO c O ? ? 1 +34133 N N . GLU W 120 0.9931 1.1545 0.9424 0.1430 0.1067 -0.0405 138 GLU c N ? ? 1 +34134 C CA . GLU W 120 0.9713 1.1461 0.9395 0.1373 0.1003 -0.0378 138 GLU c CA ? ? 1 +34135 C CB . GLU W 120 0.9781 1.1457 0.9340 0.1347 0.0907 -0.0378 138 GLU c CB ? ? 1 +34136 C CG . GLU W 120 0.9603 1.1368 0.9314 0.1290 0.0796 -0.0378 138 GLU c CG ? ? 1 +34137 C CD . GLU W 120 0.9724 1.1397 0.9296 0.1271 0.0685 -0.0397 138 GLU c CD ? ? 1 +34138 O OE1 . GLU W 120 0.9919 1.1467 0.9344 0.1287 0.0635 -0.0444 138 GLU c OE1 ? ? 1 +34139 O OE2 . GLU W 120 0.9663 1.1387 0.9273 0.1242 0.0646 -0.0368 138 GLU c OE2 ? ? 1 +34140 C C . GLU W 120 0.9578 1.1472 0.9426 0.1363 0.1092 -0.0327 138 GLU c C ? ? 1 +34141 O O . GLU W 120 0.9354 1.1393 0.9420 0.1326 0.1072 -0.0308 138 GLU c O ? ? 1 +34142 N N . THR W 121 0.9741 1.1593 0.9480 0.1394 0.1189 -0.0306 139 THR c N ? ? 1 +34143 C CA . THR W 121 0.9683 1.1659 0.9559 0.1391 0.1292 -0.0263 139 THR c CA ? ? 1 +34144 C CB . THR W 121 0.9723 1.1679 0.9521 0.1372 0.1304 -0.0223 139 THR c CB ? ? 1 +34145 O OG1 . THR W 121 1.0013 1.1803 0.9551 0.1413 0.1339 -0.0234 139 THR c OG1 ? ? 1 +34146 C CG2 . THR W 121 0.9589 1.1565 0.9422 0.1324 0.1183 -0.0215 139 THR c CG2 ? ? 1 +34147 C C . THR W 121 0.9884 1.1833 0.9714 0.1445 0.1411 -0.0274 139 THR c C ? ? 1 +34148 O O . THR W 121 1.0142 1.1945 0.9770 0.1486 0.1425 -0.0304 139 THR c O ? ? 1 +34149 N N . LEU W 122 0.9836 1.1929 0.9855 0.1445 0.1497 -0.0251 140 LEU c N ? ? 1 +34150 C CA . LEU W 122 0.9946 1.2040 0.9957 0.1496 0.1611 -0.0264 140 LEU c CA ? ? 1 +34151 C CB . LEU W 122 0.9737 1.1992 1.0000 0.1493 0.1629 -0.0265 140 LEU c CB ? ? 1 +34152 C CG . LEU W 122 0.9627 1.1886 0.9960 0.1479 0.1521 -0.0295 140 LEU c CG ? ? 1 +34153 C CD1 . LEU W 122 0.9432 1.1851 1.0009 0.1478 0.1545 -0.0291 140 LEU c CD1 ? ? 1 +34154 C CD2 . LEU W 122 0.9835 1.1926 0.9969 0.1521 0.1494 -0.0342 140 LEU c CD2 ? ? 1 +34155 C C . LEU W 122 1.0082 1.2181 1.0041 0.1511 0.1733 -0.0232 140 LEU c C ? ? 1 +34156 O O . LEU W 122 1.0245 1.2329 1.0168 0.1556 0.1835 -0.0242 140 LEU c O ? ? 1 +34157 N N . GLU W 123 1.0126 1.2243 1.0079 0.1472 0.1723 -0.0194 141 GLU c N ? ? 1 +34158 C CA . GLU W 123 1.0278 1.2424 1.0223 0.1474 0.1839 -0.0157 141 GLU c CA ? ? 1 +34159 C CB . GLU W 123 1.0121 1.2326 1.0132 0.1419 0.1806 -0.0113 141 GLU c CB ? ? 1 +34160 C CG . GLU W 123 0.9825 1.2219 1.0117 0.1375 0.1773 -0.0097 141 GLU c CG ? ? 1 +34161 C CD . GLU W 123 0.9712 1.2127 1.0083 0.1359 0.1648 -0.0124 141 GLU c CD ? ? 1 +34162 O OE1 . GLU W 123 0.9743 1.2054 0.9981 0.1349 0.1549 -0.0136 141 GLU c OE1 ? ? 1 +34163 O OE2 . GLU W 123 0.9553 1.2090 1.0118 0.1356 0.1649 -0.0133 141 GLU c OE2 ? ? 1 +34164 C C . GLU W 123 1.0740 1.2715 1.0417 0.1520 0.1905 -0.0167 141 GLU c C ? ? 1 +34165 O O . GLU W 123 1.0862 1.2854 1.0530 0.1541 0.2030 -0.0153 141 GLU c O ? ? 1 +34166 N N . GLU W 124 1.1064 1.2876 1.0527 0.1534 0.1824 -0.0193 142 GLU c N ? ? 1 +34167 C CA . GLU W 124 1.1441 1.3076 1.0633 0.1582 0.1875 -0.0208 142 GLU c CA ? ? 1 +34168 C CB . GLU W 124 1.1642 1.3111 1.0611 0.1582 0.1763 -0.0227 142 GLU c CB ? ? 1 +34169 C CG . GLU W 124 1.1648 1.3125 1.0613 0.1536 0.1691 -0.0192 142 GLU c CG ? ? 1 +34170 C CD . GLU W 124 1.1479 1.3072 1.0640 0.1487 0.1574 -0.0193 142 GLU c CD ? ? 1 +34171 O OE1 . GLU W 124 1.1325 1.3019 1.0662 0.1482 0.1560 -0.0212 142 GLU c OE1 ? ? 1 +34172 O OE2 . GLU W 124 1.1549 1.3125 1.0677 0.1455 0.1493 -0.0175 142 GLU c OE2 ? ? 1 +34173 C C . GLU W 124 1.1629 1.3228 1.0788 0.1636 0.1933 -0.0248 142 GLU c C ? ? 1 +34174 O O . GLU W 124 1.1957 1.3472 1.0970 0.1678 0.2033 -0.0252 142 GLU c O ? ? 1 +34175 N N . TYR W 125 1.1562 1.3218 1.0849 0.1635 0.1868 -0.0278 143 TYR c N ? ? 1 +34176 C CA . TYR W 125 1.1741 1.3362 1.1003 0.1687 0.1910 -0.0318 143 TYR c CA ? ? 1 +34177 C CB . TYR W 125 1.1735 1.3382 1.1098 0.1676 0.1802 -0.0351 143 TYR c CB ? ? 1 +34178 C CG . TYR W 125 1.1940 1.3563 1.1300 0.1731 0.1847 -0.0391 143 TYR c CG ? ? 1 +34179 C CD2 . TYR W 125 1.1807 1.3585 1.1396 0.1738 0.1894 -0.0388 143 TYR c CD2 ? ? 1 +34180 C CD1 . TYR W 125 1.2222 1.3666 1.1349 0.1777 0.1843 -0.0431 143 TYR c CD1 ? ? 1 +34181 C CE2 . TYR W 125 1.1926 1.3679 1.1510 0.1793 0.1936 -0.0424 143 TYR c CE2 ? ? 1 +34182 C CE1 . TYR W 125 1.2371 1.3786 1.1490 0.1830 0.1888 -0.0467 143 TYR c CE1 ? ? 1 +34183 C CZ . TYR W 125 1.2237 1.3808 1.1585 0.1839 0.1934 -0.0463 143 TYR c CZ ? ? 1 +34184 O OH . TYR W 125 1.2472 1.4011 1.1808 0.1896 0.1976 -0.0499 143 TYR c OH ? ? 1 +34185 C C . TYR W 125 1.1672 1.3420 1.1087 0.1711 0.2043 -0.0306 143 TYR c C ? ? 1 +34186 O O . TYR W 125 1.1877 1.3560 1.1188 0.1765 0.2132 -0.0326 143 TYR c O ? ? 1 +34187 N N . SER W 126 1.1411 1.3343 1.1075 0.1671 0.2055 -0.0275 144 SER c N ? ? 1 +34188 C CA . SER W 126 1.1273 1.3349 1.1117 0.1689 0.2168 -0.0266 144 SER c CA ? ? 1 +34189 C CB . SER W 126 1.1170 1.3314 1.1154 0.1714 0.2140 -0.0299 144 SER c CB ? ? 1 +34190 O OG . SER W 126 1.1104 1.3414 1.1296 0.1724 0.2235 -0.0288 144 SER c OG ? ? 1 +34191 C C . SER W 126 1.1019 1.3263 1.1070 0.1636 0.2194 -0.0220 144 SER c C ? ? 1 +34192 O O . SER W 126 1.0903 1.3228 1.1090 0.1589 0.2103 -0.0207 144 SER c O ? ? 1 +34193 N N . SER W 127 1.0980 1.3276 1.1056 0.1645 0.2322 -0.0197 145 SER c N ? ? 1 +34194 C CA . SER W 127 1.0791 1.3256 1.1076 0.1600 0.2370 -0.0158 145 SER c CA ? ? 1 +34195 C CB . SER W 127 1.0963 1.3434 1.1204 0.1619 0.2523 -0.0142 145 SER c CB ? ? 1 +34196 O OG . SER W 127 1.0873 1.3504 1.1312 0.1576 0.2584 -0.0105 145 SER c OG ? ? 1 +34197 C C . SER W 127 1.0508 1.3156 1.1069 0.1591 0.2350 -0.0166 145 SER c C ? ? 1 +34198 O O . SER W 127 1.0351 1.3133 1.1099 0.1541 0.2322 -0.0138 145 SER c O ? ? 1 +34199 N N . PHE W 128 1.0468 1.3116 1.1048 0.1643 0.2363 -0.0204 146 PHE c N ? ? 1 +34200 C CA . PHE W 128 1.0193 1.3004 1.1019 0.1647 0.2354 -0.0214 146 PHE c CA ? ? 1 +34201 C CB . PHE W 128 1.0356 1.3137 1.1150 0.1719 0.2404 -0.0256 146 PHE c CB ? ? 1 +34202 C CG . PHE W 128 1.0295 1.3235 1.1331 0.1731 0.2394 -0.0268 146 PHE c CG ? ? 1 +34203 C CD1 . PHE W 128 1.0218 1.3339 1.1465 0.1728 0.2480 -0.0253 146 PHE c CD1 ? ? 1 +34204 C CD2 . PHE W 128 1.0330 1.3240 1.1384 0.1744 0.2295 -0.0295 146 PHE c CD2 ? ? 1 +34205 C CE1 . PHE W 128 1.0101 1.3369 1.1568 0.1741 0.2465 -0.0265 146 PHE c CE1 ? ? 1 +34206 C CE2 . PHE W 128 1.0188 1.3239 1.1457 0.1757 0.2283 -0.0305 146 PHE c CE2 ? ? 1 +34207 C CZ . PHE W 128 1.0061 1.3291 1.1535 0.1757 0.2367 -0.0290 146 PHE c CZ ? ? 1 +34208 C C . PHE W 128 0.9849 1.2689 1.0767 0.1609 0.2215 -0.0215 146 PHE c C ? ? 1 +34209 O O . PHE W 128 0.9564 1.2556 1.0692 0.1567 0.2193 -0.0193 146 PHE c O ? ? 1 +34210 N N . PHE W 129 0.9819 1.2515 1.0579 0.1621 0.2125 -0.0243 147 PHE c N ? ? 1 +34211 C CA . PHE W 129 0.9596 1.2308 1.0431 0.1587 0.1995 -0.0249 147 PHE c CA ? ? 1 +34212 C CB . PHE W 129 0.9747 1.2303 1.0417 0.1620 0.1925 -0.0292 147 PHE c CB ? ? 1 +34213 C CG . PHE W 129 0.9810 1.2372 1.0509 0.1682 0.1975 -0.0326 147 PHE c CG ? ? 1 +34214 C CD1 . PHE W 129 0.9647 1.2340 1.0557 0.1684 0.1956 -0.0332 147 PHE c CD1 ? ? 1 +34215 C CD2 . PHE W 129 1.0062 1.2496 1.0572 0.1740 0.2041 -0.0352 147 PHE c CD2 ? ? 1 +34216 C CE1 . PHE W 129 0.9728 1.2423 1.0661 0.1746 0.2001 -0.0363 147 PHE c CE1 ? ? 1 +34217 C CE2 . PHE W 129 1.0121 1.2559 1.0658 0.1800 0.2089 -0.0384 147 PHE c CE2 ? ? 1 +34218 C CZ . PHE W 129 0.9969 1.2538 1.0718 0.1804 0.2068 -0.0389 147 PHE c CZ ? ? 1 +34219 C C . PHE W 129 0.9442 1.2152 1.0268 0.1524 0.1922 -0.0217 147 PHE c C ? ? 1 +34220 O O . PHE W 129 0.9256 1.2030 1.0203 0.1484 0.1829 -0.0212 147 PHE c O ? ? 1 +34221 N N . GLY W 130 0.9501 1.2133 1.0178 0.1516 0.1965 -0.0196 148 GLY c N ? ? 1 +34222 C CA . GLY W 130 0.9369 1.1997 1.0030 0.1461 0.1906 -0.0163 148 GLY c CA ? ? 1 +34223 C C . GLY W 130 0.9070 1.1877 0.9959 0.1417 0.1939 -0.0124 148 GLY c C ? ? 1 +34224 O O . GLY W 130 0.9009 1.1925 1.0026 0.1431 0.2037 -0.0118 148 GLY c O ? ? 1 +34225 N N . TYR W 131 0.8872 1.1709 0.9812 0.1364 0.1856 -0.0100 149 TYR c N ? ? 1 +34226 C CA . TYR W 131 0.8607 1.1605 0.9757 0.1317 0.1874 -0.0064 149 TYR c CA ? ? 1 +34227 C CB . TYR W 131 0.8331 1.1476 0.9717 0.1308 0.1835 -0.0075 149 TYR c CB ? ? 1 +34228 C CG . TYR W 131 0.8211 1.1321 0.9598 0.1292 0.1703 -0.0094 149 TYR c CG ? ? 1 +34229 C CD1 . TYR W 131 0.8052 1.1198 0.9501 0.1238 0.1616 -0.0073 149 TYR c CD1 ? ? 1 +34230 C CD2 . TYR W 131 0.8247 1.1285 0.9571 0.1330 0.1667 -0.0135 149 TYR c CD2 ? ? 1 +34231 C CE1 . TYR W 131 0.7966 1.1086 0.9424 0.1221 0.1498 -0.0092 149 TYR c CE1 ? ? 1 +34232 C CE2 . TYR W 131 0.8170 1.1174 0.9496 0.1311 0.1550 -0.0154 149 TYR c CE2 ? ? 1 +34233 C CZ . TYR W 131 0.8022 1.1070 0.9418 0.1256 0.1466 -0.0132 149 TYR c CZ ? ? 1 +34234 O OH . TYR W 131 0.7964 1.0983 0.9368 0.1236 0.1355 -0.0152 149 TYR c OH ? ? 1 +34235 C C . TYR W 131 0.8578 1.1548 0.9688 0.1267 0.1802 -0.0034 149 TYR c C ? ? 1 +34236 O O . TYR W 131 0.8628 1.1480 0.9591 0.1264 0.1712 -0.0046 149 TYR c O ? ? 1 +34237 N N . ASP W 132 0.8466 1.1547 0.9709 0.1228 0.1844 0.0004 150 ASP c N ? ? 1 +34238 C CA . ASP W 132 0.8381 1.1469 0.9637 0.1178 0.1779 0.0035 150 ASP c CA ? ? 1 +34239 C CB . ASP W 132 0.8556 1.1578 0.9685 0.1169 0.1853 0.0069 150 ASP c CB ? ? 1 +34240 C CG . ASP W 132 0.8557 1.1569 0.9675 0.1123 0.1788 0.0102 150 ASP c CG ? ? 1 +34241 O OD1 . ASP W 132 0.8484 1.1525 0.9669 0.1099 0.1676 0.0096 150 ASP c OD1 ? ? 1 +34242 O OD2 . ASP W 132 0.8706 1.1677 0.9743 0.1112 0.1850 0.0133 150 ASP c OD2 ? ? 1 +34243 C C . ASP W 132 0.8106 1.1381 0.9633 0.1138 0.1765 0.0051 150 ASP c C ? ? 1 +34244 O O . ASP W 132 0.8042 1.1431 0.9708 0.1137 0.1854 0.0062 150 ASP c O ? ? 1 +34245 N N . TRP W 133 0.7969 1.1274 0.9568 0.1106 0.1652 0.0051 151 TRP c N ? ? 1 +34246 C CA . TRP W 133 0.7710 1.1181 0.9553 0.1066 0.1625 0.0066 151 TRP c CA ? ? 1 +34247 C CB . TRP W 133 0.7598 1.1063 0.9461 0.1028 0.1501 0.0071 151 TRP c CB ? ? 1 +34248 C CG . TRP W 133 0.7613 1.0992 0.9389 0.1045 0.1406 0.0035 151 TRP c CG ? ? 1 +34249 C CD1 . TRP W 133 0.7715 1.0960 0.9312 0.1046 0.1332 0.0025 151 TRP c CD1 ? ? 1 +34250 N NE1 . TRP W 133 0.7710 1.0914 0.9286 0.1058 0.1256 -0.0012 151 TRP c NE1 ? ? 1 +34251 C CE2 . TRP W 133 0.7588 1.0894 0.9326 0.1068 0.1282 -0.0024 151 TRP c CE2 ? ? 1 +34252 C CZ2 . TRP W 133 0.7545 1.0847 0.9321 0.1082 0.1232 -0.0059 151 TRP c CZ2 ? ? 1 +34253 C CH2 . TRP W 133 0.7413 1.0829 0.9359 0.1094 0.1273 -0.0063 151 TRP c CH2 ? ? 1 +34254 C CZ3 . TRP W 133 0.7325 1.0863 0.9408 0.1090 0.1361 -0.0036 151 TRP c CZ3 ? ? 1 +34255 C CE3 . TRP W 133 0.7360 1.0904 0.9410 0.1072 0.1413 -0.0004 151 TRP c CE3 ? ? 1 +34256 C CD2 . TRP W 133 0.7507 1.0928 0.9377 0.1061 0.1374 0.0004 151 TRP c CD2 ? ? 1 +34257 C C . TRP W 133 0.7666 1.1238 0.9622 0.1036 0.1709 0.0104 151 TRP c C ? ? 1 +34258 O O . TRP W 133 0.7487 1.1211 0.9655 0.1019 0.1732 0.0110 151 TRP c O ? ? 1 +34259 N N . LYS W 134 0.7822 1.1307 0.9634 0.1028 0.1750 0.0129 152 LYS c N ? ? 1 +34260 C CA . LYS W 134 0.7795 1.1358 0.9694 0.0996 0.1832 0.0166 152 LYS c CA ? ? 1 +34261 C CB . LYS W 134 0.8049 1.1486 0.9761 0.0983 0.1839 0.0195 152 LYS c CB ? ? 1 +34262 C CG . LYS W 134 0.8046 1.1488 0.9784 0.0940 0.1741 0.0218 152 LYS c CG ? ? 1 +34263 C CD . LYS W 134 0.8209 1.1549 0.9823 0.0953 0.1620 0.0196 152 LYS c CD ? ? 1 +34264 C CE . LYS W 134 0.8320 1.1599 0.9853 0.0925 0.1555 0.0223 152 LYS c CE ? ? 1 +34265 N NZ . LYS W 134 0.8177 1.1594 0.9914 0.0875 0.1539 0.0251 152 LYS c NZ ? ? 1 +34266 C C . LYS W 134 0.7709 1.1333 0.9665 0.1019 0.1964 0.0162 152 LYS c C ? ? 1 +34267 O O . LYS W 134 0.7637 1.1369 0.9729 0.0989 0.2031 0.0185 152 LYS c O ? ? 1 +34268 N N . ASP W 135 0.7748 1.1302 0.9599 0.1071 0.2000 0.0131 153 ASP c N ? ? 1 +34269 C CA . ASP W 135 0.7760 1.1364 0.9649 0.1098 0.2127 0.0124 153 ASP c CA ? ? 1 +34270 C CB . ASP W 135 0.7954 1.1420 0.9643 0.1157 0.2160 0.0094 153 ASP c CB ? ? 1 +34271 C CG . ASP W 135 0.8020 1.1526 0.9731 0.1188 0.2297 0.0087 153 ASP c CG ? ? 1 +34272 O OD1 . ASP W 135 0.7887 1.1548 0.9796 0.1166 0.2361 0.0099 153 ASP c OD1 ? ? 1 +34273 O OD2 . ASP W 135 0.8198 1.1585 0.9730 0.1235 0.2341 0.0068 153 ASP c OD2 ? ? 1 +34274 C C . ASP W 135 0.7528 1.1315 0.9675 0.1096 0.2139 0.0112 153 ASP c C ? ? 1 +34275 O O . ASP W 135 0.7519 1.1322 0.9703 0.1131 0.2105 0.0079 153 ASP c O ? ? 1 +34276 N N . LYS W 136 0.7354 1.1276 0.9674 0.1055 0.2189 0.0137 154 LYS c N ? ? 1 +34277 C CA . LYS W 136 0.7133 1.1239 0.9710 0.1046 0.2192 0.0129 154 LYS c CA ? ? 1 +34278 C CB . LYS W 136 0.7043 1.1268 0.9772 0.0991 0.2239 0.0163 154 LYS c CB ? ? 1 +34279 C CG . LYS W 136 0.6996 1.1182 0.9696 0.0940 0.2156 0.0193 154 LYS c CG ? ? 1 +34280 C CD . LYS W 136 0.6904 1.1207 0.9760 0.0885 0.2197 0.0224 154 LYS c CD ? ? 1 +34281 C CE . LYS W 136 0.6890 1.1143 0.9702 0.0839 0.2121 0.0255 154 LYS c CE ? ? 1 +34282 N NZ . LYS W 136 0.7105 1.1182 0.9671 0.0843 0.2137 0.0273 154 LYS c NZ ? ? 1 +34283 C C . LYS W 136 0.7141 1.1302 0.9772 0.1098 0.2270 0.0098 154 LYS c C ? ? 1 +34284 O O . LYS W 136 0.7006 1.1262 0.9782 0.1116 0.2235 0.0076 154 LYS c O ? ? 1 +34285 N N . ASN W 137 0.7311 1.1405 0.9818 0.1125 0.2376 0.0096 155 ASN c N ? ? 1 +34286 C CA . ASN W 137 0.7340 1.1477 0.9884 0.1178 0.2458 0.0066 155 ASN c CA ? ? 1 +34287 C CB . ASN W 137 0.7545 1.1608 0.9949 0.1193 0.2583 0.0073 155 ASN c CB ? ? 1 +34288 C CG . ASN W 137 0.7599 1.1742 1.0082 0.1241 0.2684 0.0046 155 ASN c CG ? ? 1 +34289 O OD1 . ASN W 137 0.7501 1.1773 1.0165 0.1260 0.2666 0.0024 155 ASN c OD1 ? ? 1 +34290 N ND2 . ASN W 137 0.7785 1.1856 1.0138 0.1261 0.2794 0.0047 155 ASN c ND2 ? ? 1 +34291 C C . ASN W 137 0.7358 1.1416 0.9818 0.1231 0.2389 0.0029 155 ASN c C ? ? 1 +34292 O O . ASN W 137 0.7217 1.1374 0.9820 0.1259 0.2377 0.0005 155 ASN c O ? ? 1 +34293 N N . LYS W 138 0.7506 1.1383 0.9732 0.1245 0.2340 0.0026 156 LYS c N ? ? 1 +34294 C CA . LYS W 138 0.7560 1.1340 0.9682 0.1290 0.2270 -0.0009 156 LYS c CA ? ? 1 +34295 C CB . LYS W 138 0.7758 1.1336 0.9611 0.1294 0.2226 -0.0008 156 LYS c CB ? ? 1 +34296 C CG . LYS W 138 0.7875 1.1328 0.9588 0.1339 0.2160 -0.0046 156 LYS c CG ? ? 1 +34297 C CD . LYS W 138 0.7987 1.1445 0.9697 0.1402 0.2237 -0.0079 156 LYS c CD ? ? 1 +34298 C CE . LYS W 138 0.8195 1.1475 0.9680 0.1450 0.2207 -0.0112 156 LYS c CE ? ? 1 +34299 N NZ . LYS W 138 0.8427 1.1559 0.9679 0.1456 0.2256 -0.0102 156 LYS c NZ ? ? 1 +34300 C C . LYS W 138 0.7346 1.1202 0.9615 0.1276 0.2158 -0.0019 156 LYS c C ? ? 1 +34301 O O . LYS W 138 0.7363 1.1213 0.9647 0.1317 0.2130 -0.0052 156 LYS c O ? ? 1 +34302 N N . MET W 139 0.7153 1.1075 0.9526 0.1218 0.2096 0.0008 157 MET c N ? ? 1 +34303 C CA . MET W 139 0.6949 1.0940 0.9457 0.1201 0.1992 0.0000 157 MET c CA ? ? 1 +34304 C CB . MET W 139 0.6816 1.0841 0.9382 0.1137 0.1924 0.0033 157 MET c CB ? ? 1 +34305 C CG . MET W 139 0.6920 1.0785 0.9282 0.1123 0.1846 0.0038 157 MET c CG ? ? 1 +34306 S SD . MET W 139 0.6925 1.0687 0.9197 0.1149 0.1729 0.0000 157 MET c SD ? ? 1 +34307 C CE . MET W 139 0.7186 1.0769 0.9196 0.1201 0.1778 -0.0022 157 MET c CE ? ? 1 +34308 C C . MET W 139 0.6807 1.0963 0.9538 0.1219 0.2025 -0.0013 157 MET c C ? ? 1 +34309 O O . MET W 139 0.6741 1.0916 0.9530 0.1241 0.1963 -0.0036 157 MET c O ? ? 1 +34310 N N . THR W 140 0.6762 1.1038 0.9617 0.1210 0.2122 0.0002 158 THR c N ? ? 1 +34311 C CA . THR W 140 0.6631 1.1071 0.9700 0.1230 0.2161 -0.0013 158 THR c CA ? ? 1 +34312 C CB . THR W 140 0.6564 1.1141 0.9778 0.1196 0.2251 0.0011 158 THR c CB ? ? 1 +34313 O OG1 . THR W 140 0.6751 1.1243 0.9817 0.1202 0.2347 0.0020 158 THR c OG1 ? ? 1 +34314 C CG2 . THR W 140 0.6395 1.1038 0.9714 0.1128 0.2194 0.0043 158 THR c CG2 ? ? 1 +34315 C C . THR W 140 0.6742 1.1152 0.9762 0.1303 0.2211 -0.0049 158 THR c C ? ? 1 +34316 O O . THR W 140 0.6658 1.1171 0.9826 0.1333 0.2206 -0.0069 158 THR c O ? ? 1 +34317 N N . THR W 141 0.6943 1.1207 0.9751 0.1334 0.2259 -0.0058 159 THR c N ? ? 1 +34318 C CA . THR W 141 0.7068 1.1281 0.9802 0.1405 0.2306 -0.0094 159 THR c CA ? ? 1 +34319 C CB . THR W 141 0.7291 1.1364 0.9805 0.1425 0.2383 -0.0093 159 THR c CB ? ? 1 +34320 O OG1 . THR W 141 0.7295 1.1457 0.9884 0.1399 0.2488 -0.0070 159 THR c OG1 ? ? 1 +34321 C CG2 . THR W 141 0.7449 1.1442 0.9853 0.1499 0.2426 -0.0131 159 THR c CG2 ? ? 1 +34322 C C . THR W 141 0.7064 1.1202 0.9750 0.1435 0.2205 -0.0121 159 THR c C ? ? 1 +34323 O O . THR W 141 0.7050 1.1235 0.9809 0.1484 0.2215 -0.0149 159 THR c O ? ? 1 +34324 N N . ILE W 142 0.7077 1.1102 0.9643 0.1404 0.2108 -0.0114 160 ILE c N ? ? 1 +34325 C CA . ILE W 142 0.7053 1.0999 0.9568 0.1421 0.2007 -0.0138 160 ILE c CA ? ? 1 +34326 C CB . ILE W 142 0.7114 1.0922 0.9466 0.1383 0.1918 -0.0128 160 ILE c CB ? ? 1 +34327 C CG1 . ILE W 142 0.7350 1.0995 0.9458 0.1406 0.1963 -0.0135 160 ILE c CG1 ? ? 1 +34328 C CG2 . ILE W 142 0.7076 1.0833 0.9421 0.1384 0.1805 -0.0150 160 ILE c CG2 ? ? 1 +34329 C CD1 . ILE W 142 0.7419 1.0944 0.9375 0.1364 0.1883 -0.0120 160 ILE c CD1 ? ? 1 +34330 C C . ILE W 142 0.6833 1.0922 0.9570 0.1410 0.1954 -0.0139 160 ILE c C ? ? 1 +34331 O O . ILE W 142 0.6823 1.0903 0.9583 0.1450 0.1922 -0.0166 160 ILE c O ? ? 1 +34332 N N . LEU W 143 0.6666 1.0878 0.9556 0.1355 0.1942 -0.0108 161 LEU c N ? ? 1 +34333 C CA . LEU W 143 0.6454 1.0821 0.9570 0.1343 0.1907 -0.0106 161 LEU c CA ? ? 1 +34334 C CB . LEU W 143 0.6302 1.0787 0.9555 0.1279 0.1912 -0.0069 161 LEU c CB ? ? 1 +34335 C CG . LEU W 143 0.6093 1.0752 0.9588 0.1263 0.1887 -0.0064 161 LEU c CG ? ? 1 +34336 C CD1 . LEU W 143 0.5996 1.0631 0.9515 0.1249 0.1770 -0.0070 161 LEU c CD1 ? ? 1 +34337 C CD2 . LEU W 143 0.5984 1.0758 0.9603 0.1205 0.1918 -0.0031 161 LEU c CD2 ? ? 1 +34338 C C . LEU W 143 0.6447 1.0909 0.9674 0.1402 0.1979 -0.0129 161 LEU c C ? ? 1 +34339 O O . LEU W 143 0.6390 1.0881 0.9689 0.1433 0.1935 -0.0150 161 LEU c O ? ? 1 +34340 N N . GLY W 144 0.6512 1.1019 0.9745 0.1419 0.2091 -0.0127 162 GLY c N ? ? 1 +34341 C CA . GLY W 144 0.6513 1.1119 0.9854 0.1476 0.2169 -0.0150 162 GLY c CA ? ? 1 +34342 C C . GLY W 144 0.6619 1.1129 0.9863 0.1546 0.2150 -0.0187 162 GLY c C ? ? 1 +34343 O O . GLY W 144 0.6548 1.1146 0.9922 0.1586 0.2143 -0.0207 162 GLY c O ? ? 1 +34344 N N . PHE W 145 0.6791 1.1118 0.9804 0.1563 0.2141 -0.0198 163 PHE c N ? ? 1 +34345 C CA . PHE W 145 0.6913 1.1128 0.9812 0.1628 0.2122 -0.0234 163 PHE c CA ? ? 1 +34346 C CB . PHE W 145 0.7109 1.1115 0.9741 0.1633 0.2106 -0.0243 163 PHE c CB ? ? 1 +34347 C CG . PHE W 145 0.7289 1.1239 0.9792 0.1649 0.2211 -0.0241 163 PHE c CG ? ? 1 +34348 C CD1 . PHE W 145 0.7354 1.1373 0.9909 0.1702 0.2320 -0.0256 163 PHE c CD1 ? ? 1 +34349 C CD2 . PHE W 145 0.7399 1.1224 0.9723 0.1614 0.2201 -0.0224 163 PHE c CD2 ? ? 1 +34350 C CE1 . PHE W 145 0.7520 1.1484 0.9953 0.1715 0.2421 -0.0254 163 PHE c CE1 ? ? 1 +34351 C CE2 . PHE W 145 0.7567 1.1331 0.9761 0.1629 0.2299 -0.0221 163 PHE c CE2 ? ? 1 +34352 C CZ . PHE W 145 0.7624 1.1457 0.9872 0.1679 0.2411 -0.0235 163 PHE c CZ ? ? 1 +34353 C C . PHE W 145 0.6795 1.1028 0.9778 0.1629 0.2019 -0.0244 163 PHE c C ? ? 1 +34354 O O . PHE W 145 0.6820 1.1073 0.9851 0.1686 0.2023 -0.0271 163 PHE c O ? ? 1 +34355 N N . HIS W 146 0.6684 1.0907 0.9684 0.1566 0.1929 -0.0223 164 HIS c N ? ? 1 +34356 C CA . HIS W 146 0.6589 1.0809 0.9646 0.1560 0.1828 -0.0231 164 HIS c CA ? ? 1 +34357 C CB . HIS W 146 0.6535 1.0695 0.9540 0.1489 0.1735 -0.0209 164 HIS c CB ? ? 1 +34358 C CG . HIS W 146 0.6713 1.0688 0.9482 0.1484 0.1712 -0.0217 164 HIS c CG ? ? 1 +34359 N ND1 . HIS W 146 0.6706 1.0624 0.9408 0.1424 0.1644 -0.0198 164 HIS c ND1 ? ? 1 +34360 C CE1 . HIS W 146 0.6880 1.0634 0.9367 0.1438 0.1637 -0.0214 164 HIS c CE1 ? ? 1 +34361 N NE2 . HIS W 146 0.7026 1.0725 0.9435 0.1503 0.1699 -0.0242 164 HIS c NE2 ? ? 1 +34362 C CD2 . HIS W 146 0.6925 1.0766 0.9514 0.1533 0.1748 -0.0244 164 HIS c CD2 ? ? 1 +34363 C C . HIS W 146 0.6410 1.0809 0.9705 0.1569 0.1830 -0.0228 164 HIS c C ? ? 1 +34364 O O . HIS W 146 0.6373 1.0771 0.9713 0.1599 0.1779 -0.0245 164 HIS c O ? ? 1 +34365 N N . LEU W 147 0.6321 1.0872 0.9766 0.1543 0.1888 -0.0206 165 LEU c N ? ? 1 +34366 C CA . LEU W 147 0.6186 1.0917 0.9859 0.1558 0.1903 -0.0207 165 LEU c CA ? ? 1 +34367 C CB . LEU W 147 0.6099 1.0981 0.9913 0.1518 0.1970 -0.0182 165 LEU c CB ? ? 1 +34368 C CG . LEU W 147 0.5988 1.0894 0.9835 0.1435 0.1922 -0.0147 165 LEU c CG ? ? 1 +34369 C CD1 . LEU W 147 0.5937 1.0978 0.9909 0.1401 0.2000 -0.0126 165 LEU c CD1 ? ? 1 +34370 C CD2 . LEU W 147 0.5818 1.0778 0.9782 0.1410 0.1824 -0.0140 165 LEU c CD2 ? ? 1 +34371 C C . LEU W 147 0.6269 1.1018 0.9961 0.1643 0.1954 -0.0241 165 LEU c C ? ? 1 +34372 O O . LEU W 147 0.6188 1.1010 1.0002 0.1673 0.1919 -0.0253 165 LEU c O ? ? 1 +34373 N N . ILE W 148 0.6437 1.1116 1.0006 0.1684 0.2036 -0.0257 166 ILE c N ? ? 1 +34374 C CA . ILE W 148 0.6548 1.1231 1.0118 0.1769 0.2087 -0.0290 166 ILE c CA ? ? 1 +34375 C CB . ILE W 148 0.6739 1.1352 1.0171 0.1802 0.2191 -0.0302 166 ILE c CB ? ? 1 +34376 C CG1 . ILE W 148 0.6694 1.1441 1.0233 0.1769 0.2284 -0.0281 166 ILE c CG1 ? ? 1 +34377 C CG2 . ILE W 148 0.6862 1.1448 1.0262 0.1895 0.2236 -0.0340 166 ILE c CG2 ? ? 1 +34378 C CD1 . ILE W 148 0.6883 1.1518 1.0236 0.1772 0.2367 -0.0280 166 ILE c CD1 ? ? 1 +34379 C C . ILE W 148 0.6612 1.1170 1.0088 0.1808 0.2007 -0.0314 166 ILE c C ? ? 1 +34380 O O . ILE W 148 0.6614 1.1227 1.0181 0.1863 0.2001 -0.0334 166 ILE c O ? ? 1 +34381 N N . VAL W 149 0.6690 1.1076 0.9979 0.1779 0.1947 -0.0312 167 VAL c N ? ? 1 +34382 C CA . VAL W 149 0.6729 1.0988 0.9924 0.1802 0.1864 -0.0332 167 VAL c CA ? ? 1 +34383 C CB . VAL W 149 0.6823 1.0906 0.9820 0.1755 0.1801 -0.0327 167 VAL c CB ? ? 1 +34384 C CG1 . VAL W 149 0.6818 1.0800 0.9764 0.1752 0.1699 -0.0340 167 VAL c CG1 ? ? 1 +34385 C CG2 . VAL W 149 0.7043 1.0989 0.9835 0.1787 0.1862 -0.0344 167 VAL c CG2 ? ? 1 +34386 C C . VAL W 149 0.6532 1.0886 0.9894 0.1790 0.1791 -0.0325 167 VAL c C ? ? 1 +34387 O O . VAL W 149 0.6555 1.0883 0.9927 0.1843 0.1765 -0.0348 167 VAL c O ? ? 1 +34388 N N . LEU W 150 0.6347 1.0804 0.9832 0.1722 0.1756 -0.0294 168 LEU c N ? ? 1 +34389 C CA . LEU W 150 0.6166 1.0712 0.9803 0.1704 0.1685 -0.0285 168 LEU c CA ? ? 1 +34390 C CB . LEU W 150 0.6008 1.0635 0.9736 0.1619 0.1649 -0.0250 168 LEU c CB ? ? 1 +34391 C CG . LEU W 150 0.6019 1.0511 0.9609 0.1560 0.1569 -0.0239 168 LEU c CG ? ? 1 +34392 C CD1 . LEU W 150 0.5857 1.0442 0.9554 0.1484 0.1536 -0.0205 168 LEU c CD1 ? ? 1 +34393 C CD2 . LEU W 150 0.6033 1.0420 0.9564 0.1573 0.1484 -0.0256 168 LEU c CD2 ? ? 1 +34394 C C . LEU W 150 0.6096 1.0792 0.9910 0.1761 0.1726 -0.0297 168 LEU c C ? ? 1 +34395 O O . LEU W 150 0.6043 1.0746 0.9912 0.1791 0.1675 -0.0308 168 LEU c O ? ? 1 +34396 N N . GLY W 151 0.6112 1.0924 1.0010 0.1776 0.1819 -0.0296 169 GLY c N ? ? 1 +34397 C CA . GLY W 151 0.6063 1.1024 1.0127 0.1835 0.1869 -0.0312 169 GLY c CA ? ? 1 +34398 C C . GLY W 151 0.6186 1.1067 1.0179 0.1924 0.1872 -0.0347 169 GLY c C ? ? 1 +34399 O O . GLY W 151 0.6135 1.1092 1.0247 0.1967 0.1847 -0.0358 169 GLY c O ? ? 1 +34400 N N . ILE W 152 0.6372 1.1094 1.0166 0.1953 0.1903 -0.0364 170 ILE c N ? ? 1 +34401 C CA . ILE W 152 0.6530 1.1147 1.0227 0.2035 0.1903 -0.0398 170 ILE c CA ? ? 1 +34402 C CB . ILE W 152 0.6756 1.1202 1.0225 0.2054 0.1948 -0.0413 170 ILE c CB ? ? 1 +34403 C CG1 . ILE W 152 0.6822 1.1355 1.0323 0.2081 0.2069 -0.0419 170 ILE c CG1 ? ? 1 +34404 C CG2 . ILE W 152 0.6920 1.1209 1.0248 0.2123 0.1922 -0.0446 170 ILE c CG2 ? ? 1 +34405 C CD1 . ILE W 152 0.6980 1.1378 1.0281 0.2059 0.2114 -0.0416 170 ILE c CD1 ? ? 1 +34406 C C . ILE W 152 0.6478 1.1017 1.0155 0.2034 0.1799 -0.0400 170 ILE c C ? ? 1 +34407 O O . ILE W 152 0.6486 1.1036 1.0209 0.2099 0.1786 -0.0420 170 ILE c O ? ? 1 +34408 N N . GLY W 153 0.6431 1.0892 1.0042 0.1960 0.1725 -0.0380 171 GLY c N ? ? 1 +34409 C CA . GLY W 153 0.6386 1.0774 0.9980 0.1945 0.1626 -0.0379 171 GLY c CA ? ? 1 +34410 C C . GLY W 153 0.6231 1.0763 1.0023 0.1964 0.1597 -0.0374 171 GLY c C ? ? 1 +34411 O O . GLY W 153 0.6246 1.0720 1.0022 0.2007 0.1553 -0.0389 171 GLY c O ? ? 1 +34412 N N . ALA W 154 0.6085 1.0800 1.0057 0.1931 0.1621 -0.0353 172 ALA c N ? ? 1 +34413 C CA . ALA W 154 0.5942 1.0810 1.0112 0.1948 0.1598 -0.0349 172 ALA c CA ? ? 1 +34414 C CB . ALA W 154 0.5778 1.0828 1.0120 0.1891 0.1623 -0.0323 172 ALA c CB ? ? 1 +34415 C C . ALA W 154 0.6026 1.0942 1.0247 0.2048 0.1645 -0.0378 172 ALA c C ? ? 1 +34416 O O . ALA W 154 0.5999 1.0940 1.0290 0.2088 0.1600 -0.0386 172 ALA c O ? ? 1 +34417 N N . LEU W 155 0.6141 1.1065 1.0323 0.2090 0.1735 -0.0395 173 LEU c N ? ? 1 +34418 C CA . LEU W 155 0.6222 1.1197 1.0454 0.2188 0.1785 -0.0426 173 LEU c CA ? ? 1 +34419 C CB . LEU W 155 0.6298 1.1322 1.0520 0.2213 0.1897 -0.0437 173 LEU c CB ? ? 1 +34420 C CG . LEU W 155 0.6166 1.1379 1.0557 0.2161 0.1950 -0.0417 173 LEU c CG ? ? 1 +34421 C CD1 . LEU W 155 0.6270 1.1525 1.0648 0.2193 0.2064 -0.0432 173 LEU c CD1 ? ? 1 +34422 C CD2 . LEU W 155 0.5999 1.1409 1.0626 0.2172 0.1928 -0.0415 173 LEU c CD2 ? ? 1 +34423 C C . LEU W 155 0.6386 1.1184 1.0465 0.2251 0.1746 -0.0450 173 LEU c C ? ? 1 +34424 O O . LEU W 155 0.6426 1.1261 1.0563 0.2331 0.1752 -0.0471 173 LEU c O ? ? 1 +34425 N N . LEU W 156 0.6482 1.1089 1.0368 0.2214 0.1702 -0.0447 174 LEU c N ? ? 1 +34426 C CA . LEU W 156 0.6623 1.1050 1.0359 0.2260 0.1655 -0.0469 174 LEU c CA ? ? 1 +34427 C CB . LEU W 156 0.6718 1.0947 1.0245 0.2205 0.1616 -0.0466 174 LEU c CB ? ? 1 +34428 C CG . LEU W 156 0.6872 1.1011 1.0246 0.2212 0.1684 -0.0479 174 LEU c CG ? ? 1 +34429 C CD1 . LEU W 156 0.6961 1.0907 1.0137 0.2157 0.1628 -0.0477 174 LEU c CD1 ? ? 1 +34430 C CD2 . LEU W 156 0.7026 1.1122 1.0341 0.2313 0.1748 -0.0513 174 LEU c CD2 ? ? 1 +34431 C C . LEU W 156 0.6543 1.0993 1.0367 0.2270 0.1576 -0.0463 174 LEU c C ? ? 1 +34432 O O . LEU W 156 0.6666 1.1029 1.0434 0.2339 0.1557 -0.0485 174 LEU c O ? ? 1 +34433 N N . LEU W 157 0.6362 1.0919 1.0316 0.2201 0.1530 -0.0434 175 LEU c N ? ? 1 +34434 C CA . LEU W 157 0.6258 1.0850 1.0305 0.2207 0.1458 -0.0427 175 LEU c CA ? ? 1 +34435 C CB . LEU W 157 0.6083 1.0758 1.0230 0.2114 0.1405 -0.0393 175 LEU c CB ? ? 1 +34436 C CG . LEU W 157 0.5976 1.0710 1.0239 0.2118 0.1336 -0.0383 175 LEU c CG ? ? 1 +34437 C CD1 . LEU W 157 0.6063 1.0609 1.0182 0.2122 0.1266 -0.0389 175 LEU c CD1 ? ? 1 +34438 C CD2 . LEU W 157 0.5788 1.0650 1.0185 0.2036 0.1306 -0.0352 175 LEU c CD2 ? ? 1 +34439 C C . LEU W 157 0.6219 1.0964 1.0428 0.2288 0.1490 -0.0441 175 LEU c C ? ? 1 +34440 O O . LEU W 157 0.6263 1.0975 1.0482 0.2341 0.1448 -0.0451 175 LEU c O ? ? 1 +34441 N N . VAL W 158 0.6138 1.1048 1.0474 0.2295 0.1564 -0.0441 176 VAL c N ? ? 1 +34442 C CA . VAL W 158 0.6082 1.1155 1.0582 0.2371 0.1603 -0.0458 176 VAL c CA ? ? 1 +34443 C CB . VAL W 158 0.6001 1.1256 1.0638 0.2351 0.1687 -0.0454 176 VAL c CB ? ? 1 +34444 C CG1 . VAL W 158 0.5985 1.1408 1.0787 0.2437 0.1738 -0.0479 176 VAL c CG1 ? ? 1 +34445 C CG2 . VAL W 158 0.5815 1.1178 1.0567 0.2253 0.1656 -0.0421 176 VAL c CG2 ? ? 1 +34446 C C . VAL W 158 0.6266 1.1233 1.0660 0.2475 0.1630 -0.0493 176 VAL c C ? ? 1 +34447 O O . VAL W 158 0.6262 1.1266 1.0724 0.2547 0.1607 -0.0507 176 VAL c O ? ? 1 +34448 N N . ALA W 159 0.6439 1.1271 1.0661 0.2483 0.1676 -0.0506 177 ALA c N ? ? 1 +34449 C CA . ALA W 159 0.6628 1.1344 1.0730 0.2579 0.1708 -0.0539 177 ALA c CA ? ? 1 +34450 C CB . ALA W 159 0.6775 1.1348 1.0687 0.2565 0.1759 -0.0549 177 ALA c CB ? ? 1 +34451 C C . ALA W 159 0.6695 1.1263 1.0705 0.2614 0.1629 -0.0547 177 ALA c C ? ? 1 +34452 O O . ALA W 159 0.6783 1.1351 1.0812 0.2708 0.1634 -0.0570 177 ALA c O ? ? 1 +34453 N N . LYS W 160 0.6660 1.1101 1.0570 0.2540 0.1556 -0.0527 178 LYS c N ? ? 1 +34454 C CA . LYS W 160 0.6705 1.1004 1.0530 0.2558 0.1478 -0.0530 178 LYS c CA ? ? 1 +34455 C CB . LYS W 160 0.6645 1.0835 1.0384 0.2455 0.1406 -0.0506 178 LYS c CB ? ? 1 +34456 C CG . LYS W 160 0.6689 1.0721 1.0333 0.2463 0.1327 -0.0508 178 LYS c CG ? ? 1 +34457 C CD . LYS W 160 0.6915 1.0740 1.0359 0.2525 0.1338 -0.0539 178 LYS c CD ? ? 1 +34458 C CE . LYS W 160 0.6983 1.0659 1.0344 0.2546 0.1268 -0.0543 178 LYS c CE ? ? 1 +34459 N NZ . LYS W 160 0.6930 1.0711 1.0428 0.2616 0.1253 -0.0542 178 LYS c NZ ? ? 1 +34460 C C . LYS W 160 0.6616 1.1045 1.0610 0.2605 0.1445 -0.0527 178 LYS c C ? ? 1 +34461 O O . LYS W 160 0.6705 1.1057 1.0655 0.2683 0.1424 -0.0545 178 LYS c O ? ? 1 +34462 N N . ALA W 161 0.6453 1.1076 1.0636 0.2558 0.1440 -0.0505 179 ALA c N ? ? 1 +34463 C CA . ALA W 161 0.6360 1.1118 1.0712 0.2588 0.1402 -0.0499 179 ALA c CA ? ? 1 +34464 C CB . ALA W 161 0.6152 1.1083 1.0670 0.2504 0.1389 -0.0470 179 ALA c CB ? ? 1 +34465 C C . ALA W 161 0.6454 1.1327 1.0909 0.2698 0.1452 -0.0526 179 ALA c C ? ? 1 +34466 O O . ALA W 161 0.6464 1.1357 1.0973 0.2762 0.1413 -0.0534 179 ALA c O ? ? 1 +34467 N N . MET W 162 0.6534 1.1484 1.1016 0.2722 0.1539 -0.0542 180 MET c N ? ? 1 +34468 C CA . MET W 162 0.6590 1.1686 1.1202 0.2817 0.1593 -0.0568 180 MET c CA ? ? 1 +34469 C CB . MET W 162 0.6488 1.1774 1.1241 0.2783 0.1673 -0.0566 180 MET c CB ? ? 1 +34470 C CG . MET W 162 0.6266 1.1724 1.1200 0.2707 0.1642 -0.0539 180 MET c CG ? ? 1 +34471 S SD . MET W 162 0.6160 1.1847 1.1272 0.2671 0.1738 -0.0538 180 MET c SD ? ? 1 +34472 C CE . MET W 162 0.6128 1.2009 1.1437 0.2786 0.1767 -0.0572 180 MET c CE ? ? 1 +34473 C C . MET W 162 0.6869 1.1826 1.1337 0.2918 0.1628 -0.0602 180 MET c C ? ? 1 +34474 O O . MET W 162 0.6941 1.1948 1.1473 0.3015 0.1630 -0.0624 180 MET c O ? ? 1 +34475 N N . PHE W 163 0.7059 1.1837 1.1328 0.2895 0.1651 -0.0606 181 PHE c N ? ? 1 +34476 C CA . PHE W 163 0.7326 1.1983 1.1459 0.2985 0.1702 -0.0640 181 PHE c CA ? ? 1 +34477 C CB . PHE W 163 0.7401 1.2096 1.1508 0.2967 0.1797 -0.0648 181 PHE c CB ? ? 1 +34478 C CG . PHE W 163 0.7291 1.2242 1.1622 0.2952 0.1856 -0.0643 181 PHE c CG ? ? 1 +34479 C CD1 . PHE W 163 0.7285 1.2405 1.1787 0.3038 0.1886 -0.0664 181 PHE c CD1 ? ? 1 +34480 C CD2 . PHE W 163 0.7205 1.2227 1.1576 0.2853 0.1881 -0.0618 181 PHE c CD2 ? ? 1 +34481 C CE1 . PHE W 163 0.7159 1.2519 1.1872 0.3021 0.1941 -0.0661 181 PHE c CE1 ? ? 1 +34482 C CE2 . PHE W 163 0.7090 1.2341 1.1664 0.2837 0.1938 -0.0614 181 PHE c CE2 ? ? 1 +34483 C CZ . PHE W 163 0.7063 1.2484 1.1809 0.2919 0.1969 -0.0636 181 PHE c CZ ? ? 1 +34484 C C . PHE W 163 0.7541 1.1929 1.1435 0.2995 0.1656 -0.0648 181 PHE c C ? ? 1 +34485 O O . PHE W 163 0.7753 1.2035 1.1538 0.3081 0.1687 -0.0677 181 PHE c O ? ? 1 +34486 N N . PHE W 164 0.7547 1.1824 1.1358 0.2907 0.1585 -0.0623 182 PHE c N ? ? 1 +34487 C CA . PHE W 164 0.7752 1.1773 1.1337 0.2905 0.1544 -0.0631 182 PHE c CA ? ? 1 +34488 C CB . PHE W 164 0.7883 1.1788 1.1317 0.2823 0.1560 -0.0626 182 PHE c CB ? ? 1 +34489 C CG . PHE W 164 0.8089 1.2028 1.1493 0.2851 0.1656 -0.0644 182 PHE c CG ? ? 1 +34490 C CD1 . PHE W 164 0.8021 1.2161 1.1581 0.2821 0.1712 -0.0631 182 PHE c CD1 ? ? 1 +34491 C CD2 . PHE W 164 0.8382 1.2153 1.1602 0.2912 0.1693 -0.0675 182 PHE c CD2 ? ? 1 +34492 C CE1 . PHE W 164 0.8153 1.2321 1.1681 0.2847 0.1805 -0.0648 182 PHE c CE1 ? ? 1 +34493 C CE2 . PHE W 164 0.8491 1.2293 1.1681 0.2942 0.1785 -0.0692 182 PHE c CE2 ? ? 1 +34494 C CZ . PHE W 164 0.8371 1.2372 1.1715 0.2909 0.1842 -0.0678 182 PHE c CZ ? ? 1 +34495 C C . PHE W 164 0.7633 1.1576 1.1205 0.2876 0.1448 -0.0614 182 PHE c C ? ? 1 +34496 O O . PHE W 164 0.7616 1.1434 1.1082 0.2794 0.1398 -0.0598 182 PHE c O ? ? 1 +34497 N N . GLY W 165 0.7532 1.1547 1.1209 0.2947 0.1423 -0.0618 183 GLY c N ? ? 1 +34498 C CA . GLY W 165 0.7456 1.1372 1.1097 0.2943 0.1338 -0.0606 183 GLY c CA ? ? 1 +34499 C C . GLY W 165 0.7186 1.1263 1.1007 0.2889 0.1288 -0.0575 183 GLY c C ? ? 1 +34500 O O . GLY W 165 0.7178 1.1237 1.1027 0.2919 0.1231 -0.0569 183 GLY c O ? ? 1 +34501 N N . GLY W 166 0.6959 1.1184 1.0893 0.2808 0.1308 -0.0556 184 GLY c N ? ? 1 +34502 C CA . GLY W 166 0.6710 1.1092 1.0814 0.2750 0.1265 -0.0527 184 GLY c CA ? ? 1 +34503 C C . GLY W 166 0.6614 1.0901 1.0647 0.2638 0.1204 -0.0499 184 GLY c C ? ? 1 +34504 O O . GLY W 166 0.6695 1.0831 1.0571 0.2590 0.1206 -0.0501 184 GLY c O ? ? 1 +34505 N N . LEU W 167 0.6409 1.0788 1.0562 0.2599 0.1148 -0.0475 185 LEU c N ? ? 1 +34506 C CA . LEU W 167 0.6262 1.0581 1.0380 0.2495 0.1089 -0.0448 185 LEU c CA ? ? 1 +34507 C CB . LEU W 167 0.6046 1.0556 1.0325 0.2419 0.1100 -0.0424 185 LEU c CB ? ? 1 +34508 C CG . LEU W 167 0.6043 1.0611 1.0323 0.2392 0.1172 -0.0429 185 LEU c CG ? ? 1 +34509 C CD1 . LEU W 167 0.5862 1.0598 1.0290 0.2311 0.1174 -0.0404 185 LEU c CD1 ? ? 1 +34510 C CD2 . LEU W 167 0.6171 1.0548 1.0250 0.2354 0.1176 -0.0435 185 LEU c CD2 ? ? 1 +34511 C C . LEU W 167 0.6232 1.0499 1.0356 0.2510 0.1016 -0.0437 185 LEU c C ? ? 1 +34512 O O . LEU W 167 0.6223 1.0562 1.0432 0.2591 0.1011 -0.0446 185 LEU c O ? ? 1 +34513 N N . TYR W 168 0.6212 1.0352 1.0244 0.2432 0.0959 -0.0419 186 TYR c N ? ? 1 +34514 C CA . TYR W 168 0.6177 1.0266 1.0212 0.2433 0.0891 -0.0406 186 TYR c CA ? ? 1 +34515 C CB . TYR W 168 0.6209 1.0117 1.0102 0.2350 0.0840 -0.0393 186 TYR c CB ? ? 1 +34516 C CG . TYR W 168 0.6200 1.0047 1.0088 0.2359 0.0777 -0.0380 186 TYR c CG ? ? 1 +34517 C CD1 . TYR W 168 0.6365 1.0067 1.0146 0.2441 0.0765 -0.0396 186 TYR c CD1 ? ? 1 +34518 C CD2 . TYR W 168 0.6048 0.9990 1.0046 0.2294 0.0733 -0.0352 186 TYR c CD2 ? ? 1 +34519 C CE1 . TYR W 168 0.6376 1.0018 1.0148 0.2454 0.0710 -0.0383 186 TYR c CE1 ? ? 1 +34520 C CE2 . TYR W 168 0.6055 0.9941 1.0046 0.2305 0.0678 -0.0339 186 TYR c CE2 ? ? 1 +34521 C CZ . TYR W 168 0.6216 0.9950 1.0092 0.2385 0.0666 -0.0355 186 TYR c CZ ? ? 1 +34522 O OH . TYR W 168 0.6227 0.9896 1.0087 0.2398 0.0614 -0.0341 186 TYR c OH ? ? 1 +34523 C C . TYR W 168 0.5984 1.0281 1.0222 0.2407 0.0871 -0.0383 186 TYR c C ? ? 1 +34524 O O . TYR W 168 0.5880 1.0278 1.0197 0.2325 0.0874 -0.0365 186 TYR c O ? ? 1 +34525 N N . ASP W 169 0.5976 1.0332 1.0294 0.2479 0.0848 -0.0386 187 ASP c N ? ? 1 +34526 C CA . ASP W 169 0.5796 1.0349 1.0307 0.2465 0.0825 -0.0368 187 ASP c CA ? ? 1 +34527 C CB . ASP W 169 0.5774 1.0494 1.0425 0.2562 0.0862 -0.0388 187 ASP c CB ? ? 1 +34528 C CG . ASP W 169 0.5579 1.0513 1.0437 0.2548 0.0840 -0.0374 187 ASP c CG ? ? 1 +34529 O OD1 . ASP W 169 0.5440 1.0407 1.0339 0.2457 0.0807 -0.0349 187 ASP c OD1 ? ? 1 +34530 O OD2 . ASP W 169 0.5560 1.0626 1.0537 0.2631 0.0855 -0.0391 187 ASP c OD2 ? ? 1 +34531 C C . ASP W 169 0.5802 1.0278 1.0288 0.2454 0.0751 -0.0350 187 ASP c C ? ? 1 +34532 O O . ASP W 169 0.5923 1.0332 1.0370 0.2536 0.0729 -0.0360 187 ASP c O ? ? 1 +34533 N N . THR W 170 0.5688 1.0174 1.0197 0.2353 0.0713 -0.0324 188 THR c N ? ? 1 +34534 C CA . THR W 170 0.5662 1.0083 1.0152 0.2334 0.0647 -0.0305 188 THR c CA ? ? 1 +34535 C CB . THR W 170 0.5512 0.9928 1.0006 0.2214 0.0617 -0.0278 188 THR c CB ? ? 1 +34536 O OG1 . THR W 170 0.5518 0.9816 0.9945 0.2198 0.0559 -0.0263 188 THR c OG1 ? ? 1 +34537 C CG2 . THR W 170 0.5303 0.9940 0.9986 0.2167 0.0623 -0.0263 188 THR c CG2 ? ? 1 +34538 C C . THR W 170 0.5617 1.0185 1.0256 0.2395 0.0623 -0.0302 188 THR c C ? ? 1 +34539 O O . THR W 170 0.5646 1.0140 1.0250 0.2418 0.0572 -0.0293 188 THR c O ? ? 1 +34540 N N . TRP W 171 0.5584 1.0359 1.0389 0.2417 0.0659 -0.0309 189 TRP c N ? ? 1 +34541 C CA . TRP W 171 0.5583 1.0520 1.0545 0.2474 0.0637 -0.0310 189 TRP c CA ? ? 1 +34542 C CB . TRP W 171 0.5390 1.0563 1.0546 0.2435 0.0669 -0.0308 189 TRP c CB ? ? 1 +34543 C CG . TRP W 171 0.5207 1.0412 1.0395 0.2316 0.0653 -0.0280 189 TRP c CG ? ? 1 +34544 C CD1 . TRP W 171 0.5175 1.0374 1.0334 0.2238 0.0689 -0.0274 189 TRP c CD1 ? ? 1 +34545 N NE1 . TRP W 171 0.5053 1.0285 1.0254 0.2141 0.0657 -0.0247 189 TRP c NE1 ? ? 1 +34546 C CE2 . TRP W 171 0.4982 1.0245 1.0242 0.2154 0.0600 -0.0236 189 TRP c CE2 ? ? 1 +34547 C CZ2 . TRP W 171 0.4838 1.0140 1.0154 0.2080 0.0553 -0.0210 189 TRP c CZ2 ? ? 1 +34548 C CH2 . TRP W 171 0.4812 1.0135 1.0173 0.2117 0.0501 -0.0204 189 TRP c CH2 ? ? 1 +34549 C CZ3 . TRP W 171 0.4915 1.0219 1.0265 0.2225 0.0493 -0.0223 189 TRP c CZ3 ? ? 1 +34550 C CE3 . TRP W 171 0.5040 1.0307 1.0337 0.2299 0.0539 -0.0249 189 TRP c CE3 ? ? 1 +34551 C CD2 . TRP W 171 0.5077 1.0325 1.0330 0.2263 0.0595 -0.0256 189 TRP c CD2 ? ? 1 +34552 C C . TRP W 171 0.5832 1.0762 1.0787 0.2603 0.0650 -0.0338 189 TRP c C ? ? 1 +34553 O O . TRP W 171 0.5784 1.0848 1.0868 0.2661 0.0631 -0.0343 189 TRP c O ? ? 1 +34554 N N . ALA W 172 0.6167 1.0939 1.0970 0.2650 0.0679 -0.0356 190 ALA c N ? ? 1 +34555 C CA . ALA W 172 0.6448 1.1209 1.1237 0.2776 0.0698 -0.0385 190 ALA c CA ? ? 1 +34556 C CB . ALA W 172 0.6631 1.1210 1.1240 0.2803 0.0737 -0.0403 190 ALA c CB ? ? 1 +34557 C C . ALA W 172 0.6689 1.1389 1.1454 0.2846 0.0637 -0.0381 190 ALA c C ? ? 1 +34558 O O . ALA W 172 0.6751 1.1295 1.1403 0.2808 0.0589 -0.0362 190 ALA c O ? ? 1 +34559 N N . PRO W 173 0.6969 1.1773 1.1826 0.2956 0.0640 -0.0402 191 PRO c N ? ? 1 +34560 C CA . PRO W 173 0.7138 1.1920 1.2001 0.3026 0.0579 -0.0398 191 PRO c CA ? ? 1 +34561 C CB . PRO W 173 0.7164 1.2069 1.2123 0.3152 0.0606 -0.0431 191 PRO c CB ? ? 1 +34562 C CG . PRO W 173 0.7068 1.2141 1.2146 0.3122 0.0677 -0.0445 191 PRO c CG ? ? 1 +34563 C CD . PRO W 173 0.7037 1.1973 1.1984 0.3026 0.0704 -0.0433 191 PRO c CD ? ? 1 +34564 C C . PRO W 173 0.7527 1.2044 1.2178 0.3048 0.0538 -0.0390 191 PRO c C ? ? 1 +34565 O O . PRO W 173 0.7598 1.2078 1.2239 0.3070 0.0480 -0.0376 191 PRO c O ? ? 1 +34566 N N . GLY W 174 0.7828 1.2157 1.2306 0.3042 0.0569 -0.0399 192 GLY c N ? ? 1 +34567 C CA . GLY W 174 0.8054 1.2124 1.2326 0.3067 0.0538 -0.0395 192 GLY c CA ? ? 1 +34568 C C . GLY W 174 0.8149 1.2060 1.2298 0.2950 0.0511 -0.0369 192 GLY c C ? ? 1 +34569 O O . GLY W 174 0.8483 1.2167 1.2445 0.2951 0.0506 -0.0371 192 GLY c O ? ? 1 +34570 N N . GLY W 175 0.7897 1.1929 1.2155 0.2849 0.0495 -0.0346 193 GLY c N ? ? 1 +34571 C CA . GLY W 175 0.7862 1.1772 1.2028 0.2733 0.0472 -0.0322 193 GLY c CA ? ? 1 +34572 C C . GLY W 175 0.7730 1.1628 1.1862 0.2649 0.0515 -0.0326 193 GLY c C ? ? 1 +34573 O O . GLY W 175 0.7695 1.1473 1.1732 0.2558 0.0499 -0.0312 193 GLY c O ? ? 1 +34574 N N . GLY W 176 0.7533 1.1559 1.1745 0.2683 0.0569 -0.0346 194 GLY c N ? ? 1 +34575 C CA . GLY W 176 0.7391 1.1408 1.1567 0.2620 0.0616 -0.0353 194 GLY c CA ? ? 1 +34576 C C . GLY W 176 0.7429 1.1306 1.1463 0.2688 0.0657 -0.0382 194 GLY c C ? ? 1 +34577 O O . GLY W 176 0.7644 1.1326 1.1526 0.2729 0.0637 -0.0389 194 GLY c O ? ? 1 +34578 N N . ASP W 177 0.7201 1.1172 1.1281 0.2699 0.0718 -0.0400 195 ASP c N ? ? 1 +34579 C CA . ASP W 177 0.7225 1.1079 1.1180 0.2767 0.0763 -0.0429 195 ASP c CA ? ? 1 +34580 C CB . ASP W 177 0.7320 1.1195 1.1301 0.2902 0.0767 -0.0449 195 ASP c CB ? ? 1 +34581 C CG . ASP W 177 0.7548 1.1242 1.1360 0.2984 0.0796 -0.0477 195 ASP c CG ? ? 1 +34582 O OD1 . ASP W 177 0.7629 1.1162 1.1289 0.2935 0.0810 -0.0483 195 ASP c OD1 ? ? 1 +34583 O OD2 . ASP W 177 0.7664 1.1376 1.1497 0.3098 0.0802 -0.0496 195 ASP c OD2 ? ? 1 +34584 C C . ASP W 177 0.7028 1.0989 1.1033 0.2740 0.0828 -0.0440 195 ASP c C ? ? 1 +34585 O O . ASP W 177 0.6806 1.0944 1.0956 0.2681 0.0839 -0.0426 195 ASP c O ? ? 1 +34586 N N . VAL W 178 0.7062 1.0907 1.0939 0.2784 0.0873 -0.0466 196 VAL c N ? ? 1 +34587 C CA . VAL W 178 0.6953 1.0888 1.0864 0.2778 0.0942 -0.0480 196 VAL c CA ? ? 1 +34588 C CB . VAL W 178 0.7141 1.0874 1.0848 0.2789 0.0973 -0.0502 196 VAL c CB ? ? 1 +34589 C CG1 . VAL W 178 0.7134 1.0958 1.0869 0.2782 0.1048 -0.0516 196 VAL c CG1 ? ? 1 +34590 C CG2 . VAL W 178 0.7171 1.0715 1.0727 0.2695 0.0926 -0.0489 196 VAL c CG2 ? ? 1 +34591 C C . VAL W 178 0.6836 1.0963 1.0906 0.2872 0.0983 -0.0497 196 VAL c C ? ? 1 +34592 O O . VAL W 178 0.6919 1.1015 1.0976 0.2974 0.0976 -0.0513 196 VAL c O ? ? 1 +34593 N N . ARG W 179 0.6615 1.0940 1.0835 0.2836 0.1025 -0.0492 197 ARG c N ? ? 1 +34594 C CA . ARG W 179 0.6472 1.1011 1.0875 0.2907 0.1062 -0.0506 197 ARG c CA ? ? 1 +34595 C CB . ARG W 179 0.6254 1.0960 1.0835 0.2876 0.1013 -0.0484 197 ARG c CB ? ? 1 +34596 C CG . ARG W 179 0.6128 1.1086 1.0925 0.2925 0.1052 -0.0496 197 ARG c CG ? ? 1 +34597 C CD . ARG W 179 0.5952 1.1055 1.0910 0.2916 0.0996 -0.0480 197 ARG c CD ? ? 1 +34598 N NE . ARG W 179 0.5752 1.0940 1.0788 0.2798 0.0981 -0.0451 197 ARG c NE ? ? 1 +34599 C CZ . ARG W 179 0.5601 1.0993 1.0805 0.2759 0.1020 -0.0449 197 ARG c CZ ? ? 1 +34600 N NH1 . ARG W 179 0.5626 1.1141 1.0915 0.2814 0.1090 -0.0474 197 ARG c NH1 ? ? 1 +34601 N NH2 . ARG W 179 0.5450 1.0918 1.0732 0.2661 0.0993 -0.0422 197 ARG c NH2 ? ? 1 +34602 C C . ARG W 179 0.6403 1.1057 1.0864 0.2886 0.1142 -0.0516 197 ARG c C ? ? 1 +34603 O O . ARG W 179 0.6316 1.0981 1.0769 0.2787 0.1151 -0.0498 197 ARG c O ? ? 1 +34604 N N . VAL W 180 0.6439 1.1173 1.0951 0.2980 0.1200 -0.0545 198 VAL c N ? ? 1 +34605 C CA . VAL W 180 0.6384 1.1244 1.0967 0.2971 0.1283 -0.0556 198 VAL c CA ? ? 1 +34606 C CB . VAL W 180 0.6530 1.1375 1.1075 0.3084 0.1349 -0.0594 198 VAL c CB ? ? 1 +34607 C CG1 . VAL W 180 0.6517 1.1476 1.1118 0.3064 0.1439 -0.0604 198 VAL c CG1 ? ? 1 +34608 C CG2 . VAL W 180 0.6731 1.1312 1.1037 0.3124 0.1336 -0.0608 198 VAL c CG2 ? ? 1 +34609 C C . VAL W 180 0.6171 1.1287 1.0992 0.2936 0.1287 -0.0544 198 VAL c C ? ? 1 +34610 O O . VAL W 180 0.6092 1.1311 1.1036 0.2980 0.1248 -0.0544 198 VAL c O ? ? 1 +34611 N N . ILE W 181 0.6090 1.1297 1.0966 0.2853 0.1330 -0.0531 199 ILE c N ? ? 1 +34612 C CA . ILE W 181 0.5909 1.1353 1.1003 0.2810 0.1343 -0.0520 199 ILE c CA ? ? 1 +34613 C CB . ILE W 181 0.5788 1.1237 1.0877 0.2682 0.1337 -0.0488 199 ILE c CB ? ? 1 +34614 C CG1 . ILE W 181 0.5707 1.1071 1.0756 0.2619 0.1244 -0.0460 199 ILE c CG1 ? ? 1 +34615 C CG2 . ILE W 181 0.5638 1.1324 1.0931 0.2641 0.1383 -0.0483 199 ILE c CG2 ? ? 1 +34616 C CD1 . ILE W 181 0.5844 1.0972 1.0691 0.2635 0.1201 -0.0461 199 ILE c CD1 ? ? 1 +34617 C C . ILE W 181 0.5951 1.1551 1.1157 0.2870 0.1431 -0.0547 199 ILE c C ? ? 1 +34618 O O . ILE W 181 0.6021 1.1604 1.1173 0.2843 0.1500 -0.0551 199 ILE c O ? ? 1 +34619 N N . THR W 182 0.5937 1.1688 1.1298 0.2951 0.1430 -0.0566 200 THR c N ? ? 1 +34620 C CA . THR W 182 0.5970 1.1879 1.1451 0.3015 0.1514 -0.0596 200 THR c CA ? ? 1 +34621 C CB . THR W 182 0.6015 1.1965 1.1552 0.3144 0.1498 -0.0625 200 THR c CB ? ? 1 +34622 O OG1 . THR W 182 0.5878 1.1927 1.1543 0.3145 0.1422 -0.0615 200 THR c OG1 ? ? 1 +34623 C CG2 . THR W 182 0.6207 1.1917 1.1525 0.3213 0.1478 -0.0637 200 THR c CG2 ? ? 1 +34624 C C . THR W 182 0.5836 1.1980 1.1526 0.2949 0.1551 -0.0587 200 THR c C ? ? 1 +34625 O O . THR W 182 0.5862 1.2102 1.1608 0.2954 0.1638 -0.0602 200 THR c O ? ? 1 +34626 N N . ASN W 183 0.5715 1.1943 1.1512 0.2885 0.1488 -0.0563 201 ASN c N ? ? 1 +34627 C CA . ASN W 183 0.5583 1.2034 1.1585 0.2823 0.1514 -0.0555 201 ASN c CA ? ? 1 +34628 C CB . ASN W 183 0.5529 1.2166 1.1733 0.2877 0.1474 -0.0569 201 ASN c CB ? ? 1 +34629 C CG . ASN W 183 0.5684 1.2393 1.1944 0.2999 0.1518 -0.0609 201 ASN c CG ? ? 1 +34630 O OD1 . ASN W 183 0.5734 1.2563 1.2079 0.3012 0.1606 -0.0629 201 ASN c OD1 ? ? 1 +34631 N ND2 . ASN W 183 0.5803 1.2432 1.2010 0.3091 0.1462 -0.0622 201 ASN c ND2 ? ? 1 +34632 C C . ASN W 183 0.5462 1.1879 1.1438 0.2696 0.1482 -0.0516 201 ASN c C ? ? 1 +34633 O O . ASN W 183 0.5326 1.1796 1.1382 0.2658 0.1413 -0.0498 201 ASN c O ? ? 1 +34634 N N . PRO W 184 0.5497 1.1829 1.1362 0.2630 0.1532 -0.0504 202 PRO c N ? ? 1 +34635 C CA . PRO W 184 0.5389 1.1694 1.1230 0.2512 0.1508 -0.0469 202 PRO c CA ? ? 1 +34636 C CB . PRO W 184 0.5498 1.1658 1.1163 0.2481 0.1565 -0.0466 202 PRO c CB ? ? 1 +34637 C CG . PRO W 184 0.5611 1.1830 1.1302 0.2564 0.1652 -0.0499 202 PRO c CG ? ? 1 +34638 C CD . PRO W 184 0.5650 1.1910 1.1407 0.2670 0.1616 -0.0524 202 PRO c CD ? ? 1 +34639 C C . PRO W 184 0.5227 1.1758 1.1284 0.2455 0.1531 -0.0460 202 PRO c C ? ? 1 +34640 O O . PRO W 184 0.5221 1.1907 1.1407 0.2488 0.1602 -0.0482 202 PRO c O ? ? 1 +34641 N N . THR W 185 0.5104 1.1651 1.1198 0.2370 0.1473 -0.0431 203 THR c N ? ? 1 +34642 C CA . THR W 185 0.4973 1.1721 1.1264 0.2311 0.1487 -0.0421 203 THR c CA ? ? 1 +34643 C CB . THR W 185 0.4839 1.1569 1.1144 0.2236 0.1403 -0.0390 203 THR c CB ? ? 1 +34644 O OG1 . THR W 185 0.4861 1.1504 1.1113 0.2290 0.1323 -0.0393 203 THR c OG1 ? ? 1 +34645 C CG2 . THR W 185 0.4679 1.1622 1.1200 0.2189 0.1404 -0.0385 203 THR c CG2 ? ? 1 +34646 C C . THR W 185 0.5014 1.1808 1.1313 0.2249 0.1575 -0.0415 203 THR c C ? ? 1 +34647 O O . THR W 185 0.5031 1.1698 1.1194 0.2181 0.1577 -0.0391 203 THR c O ? ? 1 +34648 N N . LEU W 186 0.5030 1.2011 1.1494 0.2271 0.1646 -0.0436 204 LEU c N ? ? 1 +34649 C CA . LEU W 186 0.5059 1.2094 1.1542 0.2216 0.1737 -0.0431 204 LEU c CA ? ? 1 +34650 C CB . LEU W 186 0.5185 1.2286 1.1704 0.2298 0.1825 -0.0466 204 LEU c CB ? ? 1 +34651 C CG . LEU W 186 0.5390 1.2294 1.1694 0.2355 0.1846 -0.0477 204 LEU c CG ? ? 1 +34652 C CD1 . LEU W 186 0.5502 1.2483 1.1859 0.2454 0.1923 -0.0517 204 LEU c CD1 ? ? 1 +34653 C CD2 . LEU W 186 0.5471 1.2242 1.1613 0.2283 0.1889 -0.0455 204 LEU c CD2 ? ? 1 +34654 C C . LEU W 186 0.4928 1.2142 1.1595 0.2135 0.1746 -0.0416 204 LEU c C ? ? 1 +34655 O O . LEU W 186 0.4889 1.2119 1.1549 0.2067 0.1808 -0.0402 204 LEU c O ? ? 1 +34656 N N . ASP W 187 0.4878 1.2217 1.1700 0.2143 0.1683 -0.0420 205 ASP c N ? ? 1 +34657 C CA . ASP W 187 0.4815 1.2332 1.1824 0.2073 0.1686 -0.0411 205 ASP c CA ? ? 1 +34658 C CB . ASP W 187 0.4751 1.2393 1.1917 0.2112 0.1610 -0.0423 205 ASP c CB ? ? 1 +34659 C CG . ASP W 187 0.4664 1.2504 1.2039 0.2049 0.1605 -0.0420 205 ASP c CG ? ? 1 +34660 O OD1 . ASP W 187 0.4702 1.2585 1.2107 0.1970 0.1664 -0.0406 205 ASP c OD1 ? ? 1 +34661 O OD2 . ASP W 187 0.4628 1.2574 1.2132 0.2079 0.1541 -0.0431 205 ASP c OD2 ? ? 1 +34662 C C . ASP W 187 0.4849 1.2278 1.1776 0.1963 0.1663 -0.0370 205 ASP c C ? ? 1 +34663 O O . ASP W 187 0.4758 1.2066 1.1588 0.1940 0.1581 -0.0349 205 ASP c O ? ? 1 +34664 N N . PRO W 188 0.4910 1.2396 1.1873 0.1892 0.1735 -0.0359 206 PRO c N ? ? 1 +34665 C CA . PRO W 188 0.4909 1.2298 1.1776 0.1794 0.1720 -0.0321 206 PRO c CA ? ? 1 +34666 C CB . PRO W 188 0.4908 1.2381 1.1830 0.1745 0.1824 -0.0320 206 PRO c CB ? ? 1 +34667 C CG . PRO W 188 0.4858 1.2536 1.1983 0.1797 0.1874 -0.0355 206 PRO c CG ? ? 1 +34668 C CD . PRO W 188 0.4897 1.2542 1.1995 0.1903 0.1836 -0.0382 206 PRO c CD ? ? 1 +34669 C C . PRO W 188 0.4852 1.2291 1.1805 0.1735 0.1636 -0.0300 206 PRO c C ? ? 1 +34670 O O . PRO W 188 0.4777 1.2102 1.1625 0.1670 0.1596 -0.0270 206 PRO c O ? ? 1 +34671 N N . ARG W 189 0.4902 1.2513 1.2048 0.1759 0.1610 -0.0318 207 ARG c N ? ? 1 +34672 C CA . ARG W 189 0.4861 1.2525 1.2093 0.1708 0.1530 -0.0300 207 ARG c CA ? ? 1 +34673 C CB . ARG W 189 0.5064 1.2950 1.2532 0.1733 0.1524 -0.0326 207 ARG c CB ? ? 1 +34674 C CG . ARG W 189 0.5367 1.3420 1.2984 0.1705 0.1622 -0.0341 207 ARG c CG ? ? 1 +34675 C CD . ARG W 189 0.5529 1.3811 1.3390 0.1722 0.1612 -0.0368 207 ARG c CD ? ? 1 +34676 N NE . ARG W 189 0.5833 1.4171 1.3747 0.1832 0.1596 -0.0403 207 ARG c NE ? ? 1 +34677 C CZ . ARG W 189 0.6213 1.4639 1.4191 0.1893 0.1671 -0.0436 207 ARG c CZ ? ? 1 +34678 N NH1 . ARG W 189 0.6394 1.4872 1.4402 0.1855 0.1773 -0.0439 207 ARG c NH1 ? ? 1 +34679 N NH2 . ARG W 189 0.6333 1.4794 1.4347 0.1997 0.1644 -0.0466 207 ARG c NH2 ? ? 1 +34680 C C . ARG W 189 0.4679 1.2189 1.1781 0.1729 0.1433 -0.0287 207 ARG c C ? ? 1 +34681 O O . ARG W 189 0.4505 1.1990 1.1605 0.1671 0.1369 -0.0263 207 ARG c O ? ? 1 +34682 N N . VAL W 190 0.4692 1.2100 1.1687 0.1812 0.1424 -0.0304 208 VAL c N ? ? 1 +34683 C CA . VAL W 190 0.4603 1.1850 1.1460 0.1834 0.1340 -0.0293 208 VAL c CA ? ? 1 +34684 C CB . VAL W 190 0.4733 1.1946 1.1559 0.1947 0.1325 -0.0322 208 VAL c CB ? ? 1 +34685 C CG1 . VAL W 190 0.4754 1.1778 1.1418 0.1964 0.1245 -0.0309 208 VAL c CG1 ? ? 1 +34686 C CG2 . VAL W 190 0.4673 1.2085 1.1707 0.2003 0.1314 -0.0348 208 VAL c CG2 ? ? 1 +34687 C C . VAL W 190 0.4568 1.1621 1.1220 0.1784 0.1346 -0.0268 208 VAL c C ? ? 1 +34688 O O . VAL W 190 0.4494 1.1450 1.1070 0.1732 0.1282 -0.0243 208 VAL c O ? ? 1 +34689 N N . ILE W 191 0.4573 1.1572 1.1139 0.1800 0.1423 -0.0277 209 ILE c N ? ? 1 +34690 C CA . ILE W 191 0.4578 1.1392 1.0943 0.1762 0.1431 -0.0259 209 ILE c CA ? ? 1 +34691 C CB . ILE W 191 0.4707 1.1479 1.0990 0.1802 0.1521 -0.0277 209 ILE c CB ? ? 1 +34692 C CG1 . ILE W 191 0.4829 1.1536 1.1049 0.1906 0.1514 -0.0306 209 ILE c CG1 ? ? 1 +34693 C CG2 . ILE W 191 0.4777 1.1392 1.0878 0.1744 0.1543 -0.0256 209 ILE c CG2 ? ? 1 +34694 C CD1 . ILE W 191 0.4908 1.1398 1.0922 0.1914 0.1460 -0.0298 209 ILE c CD1 ? ? 1 +34695 C C . ILE W 191 0.4441 1.1250 1.0802 0.1658 0.1421 -0.0227 209 ILE c C ? ? 1 +34696 O O . ILE W 191 0.4450 1.1130 1.0697 0.1617 0.1361 -0.0205 209 ILE c O ? ? 1 +34697 N N . PHE W 192 0.4311 1.1260 1.0797 0.1614 0.1480 -0.0223 210 PHE c N ? ? 1 +34698 C CA . PHE W 192 0.4172 1.1119 1.0658 0.1518 0.1476 -0.0193 210 PHE c CA ? ? 1 +34699 C CB . PHE W 192 0.4158 1.1210 1.0721 0.1483 0.1571 -0.0193 210 PHE c CB ? ? 1 +34700 C CG . PHE W 192 0.4303 1.1253 1.0722 0.1507 0.1647 -0.0200 210 PHE c CG ? ? 1 +34701 C CD1 . PHE W 192 0.4365 1.1165 1.0614 0.1458 0.1653 -0.0177 210 PHE c CD1 ? ? 1 +34702 C CD2 . PHE W 192 0.4398 1.1400 1.0850 0.1582 0.1709 -0.0231 210 PHE c CD2 ? ? 1 +34703 C CE1 . PHE W 192 0.4516 1.1215 1.0623 0.1482 0.1720 -0.0184 210 PHE c CE1 ? ? 1 +34704 C CE2 . PHE W 192 0.4548 1.1450 1.0861 0.1606 0.1780 -0.0238 210 PHE c CE2 ? ? 1 +34705 C CZ . PHE W 192 0.4617 1.1367 1.0756 0.1555 0.1785 -0.0214 210 PHE c CZ ? ? 1 +34706 C C . PHE W 192 0.4007 1.1028 1.0604 0.1477 0.1398 -0.0178 210 PHE c C ? ? 1 +34707 O O . PHE W 192 0.3984 1.0969 1.0553 0.1401 0.1372 -0.0151 210 PHE c O ? ? 1 +34708 N N . GLY W 193 0.3926 1.1042 1.0642 0.1530 0.1359 -0.0197 211 GLY c N ? ? 1 +34709 C CA . GLY W 193 0.3784 1.0957 1.0591 0.1501 0.1280 -0.0185 211 GLY c CA ? ? 1 +34710 C C . GLY W 193 0.3797 1.0801 1.0456 0.1476 0.1201 -0.0163 211 GLY c C ? ? 1 +34711 O O . GLY W 193 0.3654 1.0670 1.0347 0.1418 0.1148 -0.0142 211 GLY c O ? ? 1 +34712 N N . TYR W 194 0.3930 1.0777 1.0424 0.1520 0.1196 -0.0169 212 TYR c N ? ? 1 +34713 C CA . TYR W 194 0.3947 1.0622 1.0286 0.1495 0.1131 -0.0150 212 TYR c CA ? ? 1 +34714 C CB . TYR W 194 0.4056 1.0573 1.0226 0.1554 0.1141 -0.0165 212 TYR c CB ? ? 1 +34715 C CG . TYR W 194 0.4047 1.0538 1.0213 0.1637 0.1100 -0.0185 212 TYR c CG ? ? 1 +34716 C CD1 . TYR W 194 0.3983 1.0397 1.0109 0.1632 0.1017 -0.0174 212 TYR c CD1 ? ? 1 +34717 C CD2 . TYR W 194 0.4111 1.0645 1.0306 0.1722 0.1145 -0.0214 212 TYR c CD2 ? ? 1 +34718 C CE1 . TYR W 194 0.4022 1.0397 1.0129 0.1709 0.0980 -0.0190 212 TYR c CE1 ? ? 1 +34719 C CE2 . TYR W 194 0.4136 1.0636 1.0317 0.1802 0.1106 -0.0232 212 TYR c CE2 ? ? 1 +34720 C CZ . TYR W 194 0.4095 1.0510 1.0228 0.1795 0.1024 -0.0219 212 TYR c CZ ? ? 1 +34721 O OH . TYR W 194 0.4133 1.0503 1.0242 0.1873 0.0985 -0.0235 212 TYR c OH ? ? 1 +34722 C C . TYR W 194 0.3984 1.0605 1.0260 0.1404 0.1134 -0.0122 212 TYR c C ? ? 1 +34723 O O . TYR W 194 0.3955 1.0508 1.0185 0.1358 0.1070 -0.0102 212 TYR c O ? ? 1 +34724 N N . LEU W 195 0.4092 1.0741 1.0363 0.1380 0.1210 -0.0120 213 LEU c N ? ? 1 +34725 C CA . LEU W 195 0.4145 1.0737 1.0345 0.1301 0.1221 -0.0094 213 LEU c CA ? ? 1 +34726 C CB . LEU W 195 0.4307 1.0910 1.0477 0.1298 0.1315 -0.0099 213 LEU c CB ? ? 1 +34727 C CG . LEU W 195 0.4524 1.0971 1.0507 0.1331 0.1345 -0.0107 213 LEU c CG ? ? 1 +34728 C CD1 . LEU W 195 0.4646 1.1113 1.0607 0.1313 0.1439 -0.0106 213 LEU c CD1 ? ? 1 +34729 C CD2 . LEU W 195 0.4537 1.0815 1.0357 0.1296 0.1281 -0.0090 213 LEU c CD2 ? ? 1 +34730 C C . LEU W 195 0.3996 1.0692 1.0321 0.1231 0.1196 -0.0074 213 LEU c C ? ? 1 +34731 O O . LEU W 195 0.3974 1.0604 1.0233 0.1166 0.1173 -0.0049 213 LEU c O ? ? 1 +34732 N N . LEU W 196 0.3909 1.0771 1.0415 0.1244 0.1201 -0.0085 214 LEU c N ? ? 1 +34733 C CA . LEU W 196 0.3752 1.0725 1.0387 0.1180 0.1181 -0.0068 214 LEU c CA ? ? 1 +34734 C CB . LEU W 196 0.3772 1.0927 1.0582 0.1187 0.1246 -0.0085 214 LEU c CB ? ? 1 +34735 C CG . LEU W 196 0.3908 1.1064 1.0683 0.1180 0.1344 -0.0088 214 LEU c CG ? ? 1 +34736 C CD1 . LEU W 196 0.3873 1.1219 1.0836 0.1184 0.1407 -0.0107 214 LEU c CD1 ? ? 1 +34737 C CD2 . LEU W 196 0.3940 1.1004 1.0611 0.1105 0.1357 -0.0058 214 LEU c CD2 ? ? 1 +34738 C C . LEU W 196 0.3580 1.0568 1.0268 0.1180 0.1092 -0.0064 214 LEU c C ? ? 1 +34739 O O . LEU W 196 0.3460 1.0544 1.0263 0.1135 0.1069 -0.0054 214 LEU c O ? ? 1 +34740 N N . LYS W 197 0.3576 1.0466 1.0177 0.1232 0.1044 -0.0072 215 LYS c N ? ? 1 +34741 C CA . LYS W 197 0.3482 1.0368 1.0114 0.1236 0.0962 -0.0067 215 LYS c CA ? ? 1 +34742 C CB . LYS W 197 0.3593 1.0427 1.0180 0.1322 0.0939 -0.0089 215 LYS c CB ? ? 1 +34743 C CG . LYS W 197 0.3657 1.0348 1.0126 0.1327 0.0867 -0.0080 215 LYS c CG ? ? 1 +34744 C CD . LYS W 197 0.3724 1.0405 1.0199 0.1411 0.0832 -0.0100 215 LYS c CD ? ? 1 +34745 C CE . LYS W 197 0.3816 1.0546 1.0319 0.1488 0.0887 -0.0128 215 LYS c CE ? ? 1 +34746 N NZ . LYS W 197 0.3921 1.0579 1.0370 0.1568 0.0847 -0.0144 215 LYS c NZ ? ? 1 +34747 C C . LYS W 197 0.3395 1.0168 0.9927 0.1168 0.0911 -0.0039 215 LYS c C ? ? 1 +34748 O O . LYS W 197 0.3423 1.0077 0.9820 0.1143 0.0926 -0.0029 215 LYS c O ? ? 1 +34749 N N . SER W 198 0.3259 1.0078 0.9866 0.1138 0.0853 -0.0028 216 SER c N ? ? 1 +34750 C CA . SER W 198 0.3192 0.9924 0.9727 0.1075 0.0801 -0.0002 216 SER c CA ? ? 1 +34751 C CB . SER W 198 0.3070 0.9880 0.9715 0.1054 0.0742 0.0005 216 SER c CB ? ? 1 +34752 O OG . SER W 198 0.3037 0.9750 0.9604 0.1006 0.0686 0.0026 216 SER c OG ? ? 1 +34753 C C . SER W 198 0.3271 0.9827 0.9637 0.1094 0.0765 -0.0001 216 SER c C ? ? 1 +34754 O O . SER W 198 0.3327 0.9842 0.9660 0.1158 0.0749 -0.0018 216 SER c O ? ? 1 +34755 N N A PRO W 199 0.3279 0.9727 0.9534 0.1039 0.0751 0.0017 217 PRO c N ? ? 1 +34756 N N B PRO W 199 0.3275 0.9724 0.9531 0.1039 0.0749 0.0018 217 PRO c N ? ? 1 +34757 C CA A PRO W 199 0.3356 0.9641 0.9458 0.1047 0.0711 0.0018 217 PRO c CA ? ? 1 +34758 C CA B PRO W 199 0.3353 0.9637 0.9454 0.1046 0.0710 0.0018 217 PRO c CA ? ? 1 +34759 C C A PRO W 199 0.3300 0.9546 0.9400 0.1030 0.0637 0.0028 217 PRO c C ? ? 1 +34760 C C B PRO W 199 0.3297 0.9538 0.9393 0.1032 0.0635 0.0028 217 PRO c C ? ? 1 +34761 O O A PRO W 199 0.3359 0.9472 0.9337 0.1018 0.0602 0.0032 217 PRO c O ? ? 1 +34762 O O B PRO W 199 0.3374 0.9479 0.9346 0.1027 0.0602 0.0029 217 PRO c O ? ? 1 +34763 C CB A PRO W 199 0.3388 0.9596 0.9390 0.0993 0.0731 0.0032 217 PRO c CB ? ? 1 +34764 C CB B PRO W 199 0.3382 0.9591 0.9387 0.0989 0.0727 0.0033 217 PRO c CB ? ? 1 +34765 C CG A PRO W 199 0.3276 0.9599 0.9390 0.0935 0.0744 0.0050 217 PRO c CG ? ? 1 +34766 C CG B PRO W 199 0.3267 0.9592 0.9387 0.0932 0.0736 0.0051 217 PRO c CG ? ? 1 +34767 C CD A PRO W 199 0.3227 0.9702 0.9494 0.0970 0.0775 0.0037 217 PRO c CD ? ? 1 +34768 C CD B PRO W 199 0.3218 0.9695 0.9489 0.0967 0.0770 0.0038 217 PRO c CD ? ? 1 +34769 N N A PHE W 200 0.3199 0.9561 0.9432 0.1028 0.0613 0.0031 218 PHE c N ? ? 1 +34770 N N B PHE W 200 0.3181 0.9535 0.9408 0.1023 0.0610 0.0033 218 PHE c N ? ? 1 +34771 C CA A PHE W 200 0.3129 0.9464 0.9369 0.1008 0.0546 0.0042 218 PHE c CA ? ? 1 +34772 C CA B PHE W 200 0.3105 0.9427 0.9333 0.1006 0.0543 0.0043 218 PHE c CA ? ? 1 +34773 C C A PHE W 200 0.3163 0.9481 0.9406 0.1078 0.0517 0.0027 218 PHE c C ? ? 1 +34774 C C B PHE W 200 0.3137 0.9444 0.9369 0.1076 0.0515 0.0027 218 PHE c C ? ? 1 +34775 O O A PHE W 200 0.3217 0.9552 0.9464 0.1142 0.0548 0.0007 218 PHE c O ? ? 1 +34776 O O B PHE W 200 0.3184 0.9508 0.9420 0.1140 0.0547 0.0008 218 PHE c O ? ? 1 +34777 C CB A PHE W 200 0.3000 0.9458 0.9371 0.0958 0.0532 0.0057 218 PHE c CB ? ? 1 +34778 C CB B PHE W 200 0.2971 0.9414 0.9329 0.0955 0.0528 0.0058 218 PHE c CB ? ? 1 +34779 C CG A PHE W 200 0.2976 0.9412 0.9316 0.0884 0.0541 0.0077 218 PHE c CG ? ? 1 +34780 C CG B PHE W 200 0.2948 0.9373 0.9277 0.0882 0.0540 0.0077 218 PHE c CG ? ? 1 +34781 C CD1 A PHE W 200 0.2970 0.9307 0.9227 0.0839 0.0496 0.0092 218 PHE c CD1 ? ? 1 +34782 C CD1 B PHE W 200 0.2943 0.9268 0.9187 0.0836 0.0496 0.0093 218 PHE c CD1 ? ? 1 +34783 C CD2 A PHE W 200 0.2972 0.9483 0.9362 0.0860 0.0596 0.0079 218 PHE c CD2 ? ? 1 +34784 C CD2 B PHE W 200 0.2947 0.9449 0.9327 0.0861 0.0596 0.0079 218 PHE c CD2 ? ? 1 +34785 C CE1 A PHE W 200 0.2941 0.9259 0.9168 0.0776 0.0501 0.0110 218 PHE c CE1 ? ? 1 +34786 C CE1 B PHE W 200 0.2916 0.9224 0.9131 0.0774 0.0504 0.0110 218 PHE c CE1 ? ? 1 +34787 C CE2 A PHE W 200 0.2960 0.9442 0.9312 0.0796 0.0603 0.0099 218 PHE c CE2 ? ? 1 +34788 C CE2 B PHE W 200 0.2939 0.9413 0.9281 0.0798 0.0605 0.0098 218 PHE c CE2 ? ? 1 +34789 C CZ A PHE W 200 0.2937 0.9324 0.9208 0.0756 0.0554 0.0113 218 PHE c CZ ? ? 1 +34790 C CZ B PHE W 200 0.2914 0.9292 0.9174 0.0757 0.0557 0.0113 218 PHE c CZ ? ? 1 +34791 N N A GLY W 201 0.3120 0.9399 0.9353 0.1065 0.0457 0.0037 219 GLY c N ? ? 1 +34792 N N B GLY W 201 0.3092 0.9362 0.9317 0.1065 0.0455 0.0037 219 GLY c N ? ? 1 +34793 C CA A GLY W 201 0.3176 0.9410 0.9385 0.1127 0.0423 0.0026 219 GLY c CA ? ? 1 +34794 C CA B GLY W 201 0.3148 0.9378 0.9354 0.1127 0.0422 0.0026 219 GLY c CA ? ? 1 +34795 C C A GLY W 201 0.3171 0.9528 0.9495 0.1195 0.0440 0.0007 219 GLY c C ? ? 1 +34796 C C B GLY W 201 0.3146 0.9501 0.9467 0.1195 0.0440 0.0007 219 GLY c C ? ? 1 +34797 O O A GLY W 201 0.3080 0.9583 0.9540 0.1180 0.0453 0.0007 219 GLY c O ? ? 1 +34798 O O B GLY W 201 0.3055 0.9556 0.9512 0.1179 0.0455 0.0007 219 GLY c O ? ? 1 +34799 N N A GLY W 202 0.3280 0.9575 0.9545 0.1270 0.0439 -0.0011 220 GLY c N ? ? 1 +34800 N N B GLY W 202 0.3255 0.9548 0.9519 0.1270 0.0438 -0.0010 220 GLY c N ? ? 1 +34801 C CA A GLY W 202 0.3296 0.9699 0.9661 0.1345 0.0450 -0.0031 220 GLY c CA ? ? 1 +34802 C CA B GLY W 202 0.3276 0.9676 0.9639 0.1345 0.0449 -0.0031 220 GLY c CA ? ? 1 +34803 C C A GLY W 202 0.3326 0.9818 0.9748 0.1369 0.0519 -0.0049 220 GLY c C ? ? 1 +34804 C C B GLY W 202 0.3307 0.9801 0.9731 0.1368 0.0518 -0.0048 220 GLY c C ? ? 1 +34805 O O A GLY W 202 0.3343 0.9926 0.9847 0.1435 0.0534 -0.0069 220 GLY c O ? ? 1 +34806 O O B GLY W 202 0.3318 0.9909 0.9830 0.1432 0.0533 -0.0069 220 GLY c O ? ? 1 +34807 N N . GLU W 203 0.3343 0.9805 0.9717 0.1318 0.0560 -0.0040 221 GLU c N ? ? 1 +34808 C CA . GLU W 203 0.3401 0.9933 0.9812 0.1331 0.0631 -0.0053 221 GLU c CA ? ? 1 +34809 C CB . GLU W 203 0.3363 1.0011 0.9878 0.1259 0.0658 -0.0040 221 GLU c CB ? ? 1 +34810 C CG . GLU W 203 0.3313 1.0112 0.9992 0.1250 0.0630 -0.0040 221 GLU c CG ? ? 1 +34811 C CD . GLU W 203 0.3398 1.0348 1.0217 0.1309 0.0660 -0.0065 221 GLU c CD ? ? 1 +34812 O OE1 . GLU W 203 0.3510 1.0458 1.0308 0.1364 0.0707 -0.0085 221 GLU c OE1 ? ? 1 +34813 O OE2 . GLU W 203 0.3421 1.0497 1.0376 0.1300 0.0634 -0.0067 221 GLU c OE2 ? ? 1 +34814 C C . GLU W 203 0.3497 0.9880 0.9746 0.1336 0.0661 -0.0056 221 GLU c C ? ? 1 +34815 O O . GLU W 203 0.3628 0.9975 0.9831 0.1403 0.0688 -0.0076 221 GLU c O ? ? 1 +34816 N N . GLY W 204 0.3498 0.9794 0.9659 0.1268 0.0655 -0.0037 222 GLY c N ? ? 1 +34817 C CA . GLY W 204 0.3587 0.9719 0.9577 0.1267 0.0663 -0.0039 222 GLY c CA ? ? 1 +34818 C C . GLY W 204 0.3640 0.9766 0.9586 0.1274 0.0733 -0.0048 222 GLY c C ? ? 1 +34819 O O . GLY W 204 0.3724 0.9715 0.9526 0.1286 0.0742 -0.0054 222 GLY c O ? ? 1 +34820 N N . TRP W 205 0.3582 0.9851 0.9648 0.1265 0.0783 -0.0049 223 TRP c N ? ? 1 +34821 C CA . TRP W 205 0.3649 0.9923 0.9682 0.1267 0.0855 -0.0056 223 TRP c CA ? ? 1 +34822 C CB . TRP W 205 0.3676 0.9868 0.9613 0.1192 0.0857 -0.0035 223 TRP c CB ? ? 1 +34823 C CG . TRP W 205 0.3773 0.9987 0.9692 0.1180 0.0931 -0.0036 223 TRP c CG ? ? 1 +34824 C CD1 . TRP W 205 0.3764 1.0118 0.9806 0.1185 0.0992 -0.0041 223 TRP c CD1 ? ? 1 +34825 N NE1 . TRP W 205 0.3861 1.0179 0.9830 0.1170 0.1054 -0.0039 223 TRP c NE1 ? ? 1 +34826 C CE2 . TRP W 205 0.3942 1.0096 0.9738 0.1156 0.1030 -0.0033 223 TRP c CE2 ? ? 1 +34827 C CZ2 . TRP W 205 0.4065 1.0124 0.9729 0.1141 0.1070 -0.0030 223 TRP c CZ2 ? ? 1 +34828 C CH2 . TRP W 205 0.4151 1.0051 0.9656 0.1129 0.1027 -0.0028 223 TRP c CH2 ? ? 1 +34829 C CZ3 . TRP W 205 0.4131 0.9967 0.9610 0.1129 0.0951 -0.0028 223 TRP c CZ3 ? ? 1 +34830 C CE3 . TRP W 205 0.4018 0.9943 0.9623 0.1144 0.0916 -0.0028 223 TRP c CE3 ? ? 1 +34831 C CD2 . TRP W 205 0.3912 1.0000 0.9678 0.1160 0.0954 -0.0032 223 TRP c CD2 ? ? 1 +34832 C C . TRP W 205 0.3736 0.9934 0.9682 0.1346 0.0884 -0.0081 223 TRP c C ? ? 1 +34833 O O . TRP W 205 0.3744 0.9981 0.9743 0.1410 0.0872 -0.0097 223 TRP c O ? ? 1 +34834 N N . ILE W 206 0.3798 0.9884 0.9605 0.1344 0.0919 -0.0084 224 ILE c N ? ? 1 +34835 C CA . ILE W 206 0.3904 0.9910 0.9619 0.1418 0.0948 -0.0109 224 ILE c CA ? ? 1 +34836 C CB . ILE W 206 0.4026 0.9959 0.9627 0.1405 0.1009 -0.0111 224 ILE c CB ? ? 1 +34837 C CG1 . ILE W 206 0.4082 0.9860 0.9528 0.1349 0.0971 -0.0097 224 ILE c CG1 ? ? 1 +34838 C CG2 . ILE W 206 0.3971 1.0042 0.9681 0.1373 0.1072 -0.0104 224 ILE c CG2 ? ? 1 +34839 C CD1 . ILE W 206 0.4199 0.9890 0.9516 0.1342 0.1022 -0.0101 224 ILE c CD1 ? ? 1 +34840 C C . ILE W 206 0.3923 0.9783 0.9523 0.1449 0.0890 -0.0115 224 ILE c C ? ? 1 +34841 O O . ILE W 206 0.4014 0.9817 0.9556 0.1520 0.0904 -0.0137 224 ILE c O ? ? 1 +34842 N N . VAL W 207 0.3831 0.9628 0.9396 0.1395 0.0826 -0.0096 225 VAL c N ? ? 1 +34843 C CA . VAL W 207 0.3859 0.9513 0.9315 0.1414 0.0771 -0.0100 225 VAL c CA ? ? 1 +34844 C CB . VAL W 207 0.3780 0.9372 0.9198 0.1336 0.0711 -0.0078 225 VAL c CB ? ? 1 +34845 C CG1 . VAL W 207 0.3847 0.9286 0.9149 0.1350 0.0657 -0.0082 225 VAL c CG1 ? ? 1 +34846 C CG2 . VAL W 207 0.3793 0.9343 0.9142 0.1272 0.0729 -0.0067 225 VAL c CG2 ? ? 1 +34847 C C . VAL W 207 0.3820 0.9522 0.9350 0.1483 0.0749 -0.0112 225 VAL c C ? ? 1 +34848 O O . VAL W 207 0.3888 0.9471 0.9322 0.1525 0.0720 -0.0122 225 VAL c O ? ? 1 +34849 N N . SER W 208 0.3711 0.9584 0.9407 0.1497 0.0762 -0.0112 226 SER c N ? ? 1 +34850 C CA . SER W 208 0.3694 0.9632 0.9474 0.1565 0.0740 -0.0125 226 SER c CA ? ? 1 +34851 C CB . SER W 208 0.3547 0.9675 0.9516 0.1546 0.0737 -0.0118 226 SER c CB ? ? 1 +34852 O OG . SER W 208 0.3522 0.9774 0.9580 0.1540 0.0804 -0.0125 226 SER c OG ? ? 1 +34853 C C . SER W 208 0.3799 0.9738 0.9566 0.1660 0.0781 -0.0153 226 SER c C ? ? 1 +34854 O O . SER W 208 0.3802 0.9784 0.9629 0.1724 0.0759 -0.0165 226 SER c O ? ? 1 +34855 N N . VAL W 209 0.3887 0.9775 0.9573 0.1673 0.0838 -0.0165 227 VAL c N ? ? 1 +34856 C CA . VAL W 209 0.3991 0.9880 0.9664 0.1764 0.0881 -0.0193 227 VAL c CA ? ? 1 +34857 C CB . VAL W 209 0.4092 0.9927 0.9673 0.1765 0.0951 -0.0203 227 VAL c CB ? ? 1 +34858 C CG1 . VAL W 209 0.4183 0.9819 0.9570 0.1729 0.0930 -0.0197 227 VAL c CG1 ? ? 1 +34859 C CG2 . VAL W 209 0.4203 1.0067 0.9796 0.1862 0.1001 -0.0234 227 VAL c CG2 ? ? 1 +34860 C C . VAL W 209 0.4089 0.9845 0.9662 0.1826 0.0835 -0.0203 227 VAL c C ? ? 1 +34861 O O . VAL W 209 0.4168 0.9754 0.9589 0.1803 0.0805 -0.0197 227 VAL c O ? ? 1 +34862 N N . ASN W 210 0.4087 0.9921 0.9746 0.1907 0.0831 -0.0220 228 ASN c N ? ? 1 +34863 C CA . ASN W 210 0.4153 0.9883 0.9743 0.1965 0.0778 -0.0226 228 ASN c CA ? ? 1 +34864 C CB . ASN W 210 0.4036 0.9871 0.9754 0.1956 0.0723 -0.0213 228 ASN c CB ? ? 1 +34865 C CG . ASN W 210 0.3960 1.0007 0.9870 0.1997 0.0746 -0.0227 228 ASN c CG ? ? 1 +34866 O OD1 . ASN W 210 0.3995 1.0132 0.9964 0.2030 0.0809 -0.0246 228 ASN c OD1 ? ? 1 +34867 N ND2 . ASN W 210 0.3868 0.9999 0.9880 0.1993 0.0695 -0.0218 228 ASN c ND2 ? ? 1 +34868 C C . ASN W 210 0.4266 0.9976 0.9830 0.2075 0.0806 -0.0256 228 ASN c C ? ? 1 +34869 O O . ASN W 210 0.4308 0.9974 0.9855 0.2138 0.0766 -0.0263 228 ASN c O ? ? 1 +34870 N N . ASN W 211 0.4318 1.0055 0.9874 0.2100 0.0877 -0.0273 229 ASN c N ? ? 1 +34871 C CA . ASN W 211 0.4446 1.0166 0.9977 0.2204 0.0910 -0.0303 229 ASN c CA ? ? 1 +34872 C CB . ASN W 211 0.4376 1.0297 1.0099 0.2267 0.0919 -0.0319 229 ASN c CB ? ? 1 +34873 C CG . ASN W 211 0.4277 1.0387 1.0151 0.2232 0.0980 -0.0321 229 ASN c CG ? ? 1 +34874 O OD1 . ASN W 211 0.4345 1.0499 1.0232 0.2271 0.1050 -0.0342 229 ASN c OD1 ? ? 1 +34875 N ND2 . ASN W 211 0.4124 1.0345 1.0113 0.2158 0.0956 -0.0301 229 ASN c ND2 ? ? 1 +34876 C C . ASN W 211 0.4540 1.0214 0.9988 0.2204 0.0984 -0.0316 229 ASN c C ? ? 1 +34877 O O . ASN W 211 0.4464 1.0190 0.9938 0.2134 0.1019 -0.0304 229 ASN c O ? ? 1 +34878 N N . LEU W 212 0.4707 1.0279 1.0052 0.2287 0.1007 -0.0340 230 LEU c N ? ? 1 +34879 C CA . LEU W 212 0.4827 1.0315 1.0057 0.2293 0.1070 -0.0354 230 LEU c CA ? ? 1 +34880 C CB . LEU W 212 0.5018 1.0320 1.0080 0.2370 0.1063 -0.0374 230 LEU c CB ? ? 1 +34881 C CG . LEU W 212 0.5070 1.0172 0.9976 0.2335 0.0993 -0.0360 230 LEU c CG ? ? 1 +34882 C CD1 . LEU W 212 0.5273 1.0179 0.9997 0.2402 0.1000 -0.0382 230 LEU c CD1 ? ? 1 +34883 C CD2 . LEU W 212 0.5004 1.0052 0.9851 0.2223 0.0980 -0.0336 230 LEU c CD2 ? ? 1 +34884 C C . LEU W 212 0.4807 1.0465 1.0162 0.2320 0.1151 -0.0370 230 LEU c C ? ? 1 +34885 O O . LEU W 212 0.4857 1.0486 1.0149 0.2292 0.1209 -0.0372 230 LEU c O ? ? 1 +34886 N N . GLU W 213 0.4740 1.0575 1.0271 0.2373 0.1156 -0.0382 231 GLU c N ? ? 1 +34887 C CA . GLU W 213 0.4715 1.0729 1.0386 0.2394 0.1234 -0.0399 231 GLU c CA ? ? 1 +34888 C CB . GLU W 213 0.4645 1.0848 1.0511 0.2459 0.1224 -0.0415 231 GLU c CB ? ? 1 +34889 C CG . GLU W 213 0.4779 1.0935 1.0607 0.2580 0.1222 -0.0445 231 GLU c CG ? ? 1 +34890 C CD . GLU W 213 0.4837 1.0840 1.0556 0.2614 0.1139 -0.0438 231 GLU c CD ? ? 1 +34891 O OE1 . GLU W 213 0.4762 1.0722 1.0464 0.2545 0.1076 -0.0411 231 GLU c OE1 ? ? 1 +34892 O OE2 . GLU W 213 0.4975 1.0896 1.0620 0.2710 0.1139 -0.0460 231 GLU c OE2 ? ? 1 +34893 C C . GLU W 213 0.4601 1.0700 1.0333 0.2290 0.1265 -0.0377 231 GLU c C ? ? 1 +34894 O O . GLU W 213 0.4631 1.0771 1.0366 0.2281 0.1342 -0.0385 231 GLU c O ? ? 1 +34895 N N . ASP W 214 0.4471 1.0592 1.0248 0.2215 0.1206 -0.0349 232 ASP c N ? ? 1 +34896 C CA . ASP W 214 0.4369 1.0552 1.0192 0.2114 0.1224 -0.0326 232 ASP c CA ? ? 1 +34897 C CB . ASP W 214 0.4219 1.0459 1.0130 0.2051 0.1151 -0.0301 232 ASP c CB ? ? 1 +34898 C CG . ASP W 214 0.4113 1.0561 1.0239 0.2079 0.1143 -0.0310 232 ASP c CG ? ? 1 +34899 O OD1 . ASP W 214 0.4146 1.0710 1.0367 0.2148 0.1196 -0.0337 232 ASP c OD1 ? ? 1 +34900 O OD2 . ASP W 214 0.3986 1.0486 1.0188 0.2033 0.1085 -0.0291 232 ASP c OD2 ? ? 1 +34901 C C . ASP W 214 0.4456 1.0467 1.0091 0.2062 0.1242 -0.0314 232 ASP c C ? ? 1 +34902 O O . ASP W 214 0.4439 1.0491 1.0082 0.2011 0.1296 -0.0306 232 ASP c O ? ? 1 +34903 N N . VAL W 215 0.4554 1.0372 1.0018 0.2074 0.1195 -0.0313 233 VAL c N ? ? 1 +34904 C CA . VAL W 215 0.4648 1.0295 0.9927 0.2033 0.1207 -0.0307 233 VAL c CA ? ? 1 +34905 C CB . VAL W 215 0.4746 1.0186 0.9853 0.2047 0.1144 -0.0308 233 VAL c CB ? ? 1 +34906 C CG1 . VAL W 215 0.4866 1.0133 0.9779 0.2019 0.1163 -0.0310 233 VAL c CG1 ? ? 1 +34907 C CG2 . VAL W 215 0.4633 1.0063 0.9771 0.1991 0.1062 -0.0284 233 VAL c CG2 ? ? 1 +34908 C C . VAL W 215 0.4763 1.0403 0.9990 0.2077 0.1294 -0.0329 233 VAL c C ? ? 1 +34909 O O . VAL W 215 0.4766 1.0406 0.9959 0.2025 0.1340 -0.0320 233 VAL c O ? ? 1 +34910 N N . VAL W 216 0.4866 1.0498 1.0085 0.2174 0.1318 -0.0357 234 VAL c N ? ? 1 +34911 C CA . VAL W 216 0.4994 1.0605 1.0152 0.2225 0.1400 -0.0380 234 VAL c CA ? ? 1 +34912 C CB . VAL W 216 0.5111 1.0695 1.0254 0.2339 0.1407 -0.0412 234 VAL c CB ? ? 1 +34913 C CG1 . VAL W 216 0.5243 1.0833 1.0348 0.2396 0.1500 -0.0438 234 VAL c CG1 ? ? 1 +34914 C CG2 . VAL W 216 0.5210 1.0586 1.0182 0.2360 0.1341 -0.0413 234 VAL c CG2 ? ? 1 +34915 C C . VAL W 216 0.4921 1.0717 1.0227 0.2200 0.1475 -0.0379 234 VAL c C ? ? 1 +34916 O O . VAL W 216 0.4990 1.0755 1.0225 0.2181 0.1541 -0.0381 234 VAL c O ? ? 1 +34917 N N . GLY W 217 0.4790 1.0778 1.0300 0.2199 0.1466 -0.0377 235 GLY c N ? ? 1 +34918 C CA . GLY W 217 0.4716 1.0890 1.0383 0.2170 0.1534 -0.0376 235 GLY c CA ? ? 1 +34919 C C . GLY W 217 0.4663 1.0818 1.0293 0.2065 0.1548 -0.0347 235 GLY c C ? ? 1 +34920 O O . GLY W 217 0.4674 1.0888 1.0326 0.2044 0.1627 -0.0348 235 GLY c O ? ? 1 +34921 N N . GLY W 218 0.4612 1.0681 1.0182 0.2002 0.1472 -0.0321 236 GLY c N ? ? 1 +34922 C CA . GLY W 218 0.4570 1.0599 1.0087 0.1905 0.1471 -0.0293 236 GLY c CA ? ? 1 +34923 C C . GLY W 218 0.4715 1.0598 1.0047 0.1898 0.1521 -0.0295 236 GLY c C ? ? 1 +34924 O O . GLY W 218 0.4699 1.0598 1.0017 0.1838 0.1562 -0.0280 236 GLY c O ? ? 1 +34925 N N . HIS W 219 0.4872 1.0609 1.0057 0.1960 0.1516 -0.0316 237 HIS c N ? ? 1 +34926 C CA . HIS W 219 0.5038 1.0626 1.0036 0.1961 0.1559 -0.0322 237 HIS c CA ? ? 1 +34927 C CB . HIS W 219 0.5151 1.0546 0.9977 0.2003 0.1509 -0.0336 237 HIS c CB ? ? 1 +34928 C CG . HIS W 219 0.5085 1.0386 0.9851 0.1936 0.1419 -0.0314 237 HIS c CG ? ? 1 +34929 N ND1 . HIS W 219 0.5078 1.0295 0.9742 0.1861 0.1409 -0.0295 237 HIS c ND1 ? ? 1 +34930 C CE1 . HIS W 219 0.5006 1.0170 0.9656 0.1815 0.1326 -0.0279 237 HIS c CE1 ? ? 1 +34931 N NE2 . HIS W 219 0.4958 1.0163 0.9691 0.1857 0.1285 -0.0285 237 HIS c NE2 ? ? 1 +34932 C CD2 . HIS W 219 0.5007 1.0301 0.9815 0.1935 0.1341 -0.0307 237 HIS c CD2 ? ? 1 +34933 C C . HIS W 219 0.5152 1.0812 1.0177 0.2006 0.1663 -0.0341 237 HIS c C ? ? 1 +34934 O O . HIS W 219 0.5256 1.0840 1.0165 0.1982 0.1714 -0.0339 237 HIS c O ? ? 1 +34935 N N . ILE W 220 0.5143 1.0949 1.0321 0.2070 0.1696 -0.0362 238 ILE c N ? ? 1 +34936 C CA . ILE W 220 0.5225 1.1132 1.0463 0.2104 0.1799 -0.0379 238 ILE c CA ? ? 1 +34937 C CB . ILE W 220 0.5197 1.1262 1.0607 0.2187 0.1819 -0.0406 238 ILE c CB ? ? 1 +34938 C CG1 . ILE W 220 0.5334 1.1275 1.0633 0.2282 0.1795 -0.0433 238 ILE c CG1 ? ? 1 +34939 C CG2 . ILE W 220 0.5206 1.1424 1.0731 0.2203 0.1927 -0.0421 238 ILE c CG2 ? ? 1 +34940 C CD1 . ILE W 220 0.5294 1.1351 1.0740 0.2356 0.1768 -0.0452 238 ILE c CD1 ? ? 1 +34941 C C . ILE W 220 0.5167 1.1170 1.0477 0.2018 0.1842 -0.0355 238 ILE c C ? ? 1 +34942 O O . ILE W 220 0.5253 1.1217 1.0480 0.2004 0.1916 -0.0354 238 ILE c O ? ? 1 +34943 N N . TRP W 221 0.5049 1.1166 1.0502 0.1961 0.1795 -0.0334 239 TRP c N ? ? 1 +34944 C CA . TRP W 221 0.5016 1.1229 1.0550 0.1878 0.1832 -0.0310 239 TRP c CA ? ? 1 +34945 C CB . TRP W 221 0.4884 1.1235 1.0596 0.1832 0.1771 -0.0294 239 TRP c CB ? ? 1 +34946 C CG . TRP W 221 0.4870 1.1433 1.0802 0.1868 0.1809 -0.0313 239 TRP c CG ? ? 1 +34947 C CD1 . TRP W 221 0.4866 1.1511 1.0910 0.1933 0.1768 -0.0333 239 TRP c CD1 ? ? 1 +34948 N NE1 . TRP W 221 0.4828 1.1679 1.1074 0.1950 0.1820 -0.0350 239 TRP c NE1 ? ? 1 +34949 C CE2 . TRP W 221 0.4825 1.1731 1.1096 0.1891 0.1899 -0.0339 239 TRP c CE2 ? ? 1 +34950 C CZ2 . TRP W 221 0.4808 1.1904 1.1258 0.1878 0.1974 -0.0349 239 TRP c CZ2 ? ? 1 +34951 C CH2 . TRP W 221 0.4832 1.1926 1.1251 0.1811 0.2048 -0.0332 239 TRP c CH2 ? ? 1 +34952 C CZ3 . TRP W 221 0.4891 1.1801 1.1107 0.1763 0.2043 -0.0306 239 TRP c CZ3 ? ? 1 +34953 C CE3 . TRP W 221 0.4914 1.1642 1.0958 0.1778 0.1965 -0.0299 239 TRP c CE3 ? ? 1 +34954 C CD2 . TRP W 221 0.4869 1.1593 1.0941 0.1841 0.1893 -0.0315 239 TRP c CD2 ? ? 1 +34955 C C . TRP W 221 0.5071 1.1129 1.0424 0.1812 0.1830 -0.0286 239 TRP c C ? ? 1 +34956 O O . TRP W 221 0.5106 1.1175 1.0431 0.1783 0.1905 -0.0280 239 TRP c O ? ? 1 +34957 N N . ILE W 222 0.5092 1.1002 1.0319 0.1791 0.1745 -0.0275 240 ILE c N ? ? 1 +34958 C CA . ILE W 222 0.5162 1.0919 1.0214 0.1732 0.1729 -0.0255 240 ILE c CA ? ? 1 +34959 C CB . ILE W 222 0.5154 1.0780 1.0110 0.1712 0.1624 -0.0246 240 ILE c CB ? ? 1 +34960 C CG1 . ILE W 222 0.4983 1.0699 1.0066 0.1646 0.1560 -0.0220 240 ILE c CG1 ? ? 1 +34961 C CG2 . ILE W 222 0.5280 1.0712 1.0015 0.1682 0.1609 -0.0240 240 ILE c CG2 ? ? 1 +34962 C CD1 . ILE W 222 0.4923 1.0691 1.0037 0.1565 0.1586 -0.0193 240 ILE c CD1 ? ? 1 +34963 C C . ILE W 222 0.5348 1.0986 1.0231 0.1768 0.1798 -0.0271 240 ILE c C ? ? 1 +34964 O O . ILE W 222 0.5405 1.0989 1.0198 0.1721 0.1835 -0.0256 240 ILE c O ? ? 1 +34965 N N . GLY W 223 0.5456 1.1045 1.0290 0.1852 0.1814 -0.0301 241 GLY c N ? ? 1 +34966 C CA . GLY W 223 0.5653 1.1138 1.0336 0.1896 0.1885 -0.0320 241 GLY c CA ? ? 1 +34967 C C . GLY W 223 0.5692 1.1281 1.0434 0.1886 0.1993 -0.0319 241 GLY c C ? ? 1 +34968 O O . GLY W 223 0.5839 1.1328 1.0437 0.1865 0.2038 -0.0313 241 GLY c O ? ? 1 +34969 N N . LEU W 224 0.5579 1.1367 1.0532 0.1902 0.2035 -0.0325 242 LEU c N ? ? 1 +34970 C CA . LEU W 224 0.5588 1.1487 1.0615 0.1891 0.2142 -0.0326 242 LEU c CA ? ? 1 +34971 C CB . LEU W 224 0.5495 1.1616 1.0764 0.1926 0.2177 -0.0343 242 LEU c CB ? ? 1 +34972 C CG . LEU W 224 0.5565 1.1708 1.0867 0.2032 0.2184 -0.0380 242 LEU c CG ? ? 1 +34973 C CD1 . LEU W 224 0.5514 1.1880 1.1039 0.2064 0.2253 -0.0400 242 LEU c CD1 ? ? 1 +34974 C CD2 . LEU W 224 0.5767 1.1739 1.0860 0.2093 0.2227 -0.0401 242 LEU c CD2 ? ? 1 +34975 C C . LEU W 224 0.5512 1.1420 1.0533 0.1795 0.2151 -0.0291 242 LEU c C ? ? 1 +34976 O O . LEU W 224 0.5591 1.1463 1.0532 0.1775 0.2229 -0.0285 242 LEU c O ? ? 1 +34977 N N . ILE W 225 0.5363 1.1310 1.0463 0.1736 0.2071 -0.0268 243 ILE c N ? ? 1 +34978 C CA . ILE W 225 0.5300 1.1257 1.0401 0.1646 0.2070 -0.0234 243 ILE c CA ? ? 1 +34979 C CB . ILE W 225 0.5129 1.1162 1.0358 0.1596 0.1980 -0.0215 243 ILE c CB ? ? 1 +34980 C CG1 . ILE W 225 0.5010 1.1256 1.0483 0.1616 0.1996 -0.0227 243 ILE c CG1 ? ? 1 +34981 C CG2 . ILE W 225 0.5078 1.1090 1.0279 0.1505 0.1967 -0.0179 243 ILE c CG2 ? ? 1 +34982 C CD1 . ILE W 225 0.4835 1.1152 1.0432 0.1579 0.1897 -0.0212 243 ILE c CD1 ? ? 1 +34983 C C . ILE W 225 0.5410 1.1168 1.0274 0.1618 0.2065 -0.0220 243 ILE c C ? ? 1 +34984 O O . ILE W 225 0.5443 1.1188 1.0260 0.1571 0.2119 -0.0202 243 ILE c O ? ? 1 +34985 N N . CYS W 226 0.5470 1.1072 1.0183 0.1649 0.2001 -0.0231 244 CYS c N ? ? 1 +34986 C CA . CYS W 226 0.5596 1.1005 1.0079 0.1629 0.1989 -0.0223 244 CYS c CA ? ? 1 +34987 C CB . CYS W 226 0.5638 1.0902 1.0001 0.1652 0.1896 -0.0234 244 CYS c CB ? ? 1 +34988 S SG . CYS W 226 0.5456 1.0727 0.9879 0.1582 0.1775 -0.0208 244 CYS c SG ? ? 1 +34989 C C . CYS W 226 0.5755 1.1100 1.0115 0.1665 0.2089 -0.0237 244 CYS c C ? ? 1 +34990 O O . CYS W 226 0.5830 1.1091 1.0065 0.1624 0.2116 -0.0220 244 CYS c O ? ? 1 +34991 N N A ILE W 227 0.5830 1.1212 1.0222 0.1743 0.2144 -0.0268 245 ILE c N ? ? 1 +34992 N N B ILE W 227 0.5825 1.1204 1.0213 0.1743 0.2143 -0.0268 245 ILE c N ? ? 1 +34993 C CA A ILE W 227 0.5996 1.1326 1.0280 0.1781 0.2246 -0.0283 245 ILE c CA ? ? 1 +34994 C CA B ILE W 227 0.5985 1.1316 1.0270 0.1781 0.2245 -0.0283 245 ILE c CA ? ? 1 +34995 C C A ILE W 227 0.5961 1.1413 1.0340 0.1737 0.2337 -0.0265 245 ILE c C ? ? 1 +34996 C C B ILE W 227 0.5951 1.1400 1.0328 0.1734 0.2333 -0.0264 245 ILE c C ? ? 1 +34997 O O A ILE W 227 0.6089 1.1457 1.0334 0.1722 0.2401 -0.0258 245 ILE c O ? ? 1 +34998 O O B ILE W 227 0.6073 1.1433 1.0311 0.1714 0.2391 -0.0255 245 ILE c O ? ? 1 +34999 C CB A ILE W 227 0.6083 1.1429 1.0383 0.1878 0.2285 -0.0322 245 ILE c CB ? ? 1 +35000 C CB B ILE W 227 0.6052 1.1414 1.0371 0.1877 0.2285 -0.0321 245 ILE c CB ? ? 1 +35001 C CG1 A ILE W 227 0.5961 1.1524 1.0511 0.1906 0.2314 -0.0333 245 ILE c CG1 ? ? 1 +35002 C CG1 B ILE W 227 0.6103 1.1321 1.0304 0.1922 0.2199 -0.0339 245 ILE c CG1 ? ? 1 +35003 C CG2 A ILE W 227 0.6142 1.1336 1.0313 0.1920 0.2199 -0.0339 245 ILE c CG2 ? ? 1 +35004 C CG2 B ILE W 227 0.6223 1.1551 1.0449 0.1916 0.2401 -0.0337 245 ILE c CG2 ? ? 1 +35005 C CD1 A ILE W 227 0.6003 1.1699 1.0649 0.1920 0.2446 -0.0342 245 ILE c CD1 ? ? 1 +35006 C CD1 B ILE W 227 0.6138 1.1402 1.0403 0.2013 0.2215 -0.0373 245 ILE c CD1 ? ? 1 +35007 N N . ALA W 228 0.5790 1.1433 1.0397 0.1713 0.2340 -0.0258 246 ALA c N ? ? 1 +35008 C CA . ALA W 228 0.5746 1.1514 1.0463 0.1664 0.2423 -0.0242 246 ALA c CA ? ? 1 +35009 C CB . ALA W 228 0.5561 1.1546 1.0543 0.1652 0.2414 -0.0243 246 ALA c CB ? ? 1 +35010 C C . ALA W 228 0.5737 1.1418 1.0350 0.1580 0.2403 -0.0205 246 ALA c C ? ? 1 +35011 O O . ALA W 228 0.5823 1.1470 1.0358 0.1556 0.2483 -0.0193 246 ALA c O ? ? 1 +35012 N N . GLY W 229 0.5642 1.1286 1.0252 0.1539 0.2296 -0.0186 247 GLY c N ? ? 1 +35013 C CA . GLY W 229 0.5644 1.1197 1.0150 0.1465 0.2262 -0.0153 247 GLY c CA ? ? 1 +35014 C C . GLY W 229 0.5842 1.1198 1.0094 0.1475 0.2284 -0.0152 247 GLY c C ? ? 1 +35015 O O . GLY W 229 0.5896 1.1200 1.0061 0.1428 0.2318 -0.0129 247 GLY c O ? ? 1 +35016 N N . GLY W 230 0.5960 1.1206 1.0091 0.1539 0.2263 -0.0180 248 GLY c N ? ? 1 +35017 C CA . GLY W 230 0.6166 1.1224 1.0053 0.1560 0.2283 -0.0187 248 GLY c CA ? ? 1 +35018 C C . GLY W 230 0.6317 1.1373 1.0146 0.1571 0.2408 -0.0187 248 GLY c C ? ? 1 +35019 O O . GLY W 230 0.6440 1.1374 1.0099 0.1543 0.2428 -0.0171 248 GLY c O ? ? 1 +35020 N N . ILE W 231 0.6324 1.1515 1.0292 0.1615 0.2492 -0.0207 249 ILE c N ? ? 1 +35021 C CA . ILE W 231 0.6426 1.1646 1.0376 0.1623 0.2620 -0.0208 249 ILE c CA ? ? 1 +35022 C CB . ILE W 231 0.6393 1.1786 1.0531 0.1679 0.2699 -0.0237 249 ILE c CB ? ? 1 +35023 C CG1 . ILE W 231 0.6544 1.1852 1.0572 0.1770 0.2728 -0.0274 249 ILE c CG1 ? ? 1 +35024 C CG2 . ILE W 231 0.6407 1.1919 1.0641 0.1651 0.2824 -0.0228 249 ILE c CG2 ? ? 1 +35025 C CD1 . ILE W 231 0.6518 1.1753 1.0508 0.1812 0.2623 -0.0292 249 ILE c CD1 ? ? 1 +35026 C C . ILE W 231 0.6381 1.1644 1.0365 0.1541 0.2649 -0.0171 249 ILE c C ? ? 1 +35027 O O . ILE W 231 0.6526 1.1679 1.0349 0.1521 0.2701 -0.0156 249 ILE c O ? ? 1 +35028 N N . TRP W 232 0.6202 1.1619 1.0393 0.1495 0.2614 -0.0156 250 TRP c N ? ? 1 +35029 C CA . TRP W 232 0.6144 1.1612 1.0390 0.1415 0.2632 -0.0121 250 TRP c CA ? ? 1 +35030 C CB . TRP W 232 0.5933 1.1551 1.0396 0.1376 0.2557 -0.0112 250 TRP c CB ? ? 1 +35031 C CG . TRP W 232 0.5843 1.1498 1.0356 0.1291 0.2548 -0.0075 250 TRP c CG ? ? 1 +35032 C CD1 . TRP W 232 0.5770 1.1346 1.0219 0.1241 0.2455 -0.0049 250 TRP c CD1 ? ? 1 +35033 N NE1 . TRP W 232 0.5705 1.1345 1.0229 0.1171 0.2479 -0.0019 250 TRP c NE1 ? ? 1 +35034 C CE2 . TRP W 232 0.5727 1.1491 1.0371 0.1170 0.2590 -0.0026 250 TRP c CE2 ? ? 1 +35035 C CZ2 . TRP W 232 0.5683 1.1544 1.0434 0.1109 0.2655 -0.0004 250 TRP c CZ2 ? ? 1 +35036 C CH2 . TRP W 232 0.5713 1.1695 1.0579 0.1122 0.2768 -0.0020 250 TRP c CH2 ? ? 1 +35037 C CZ3 . TRP W 232 0.5792 1.1803 1.0669 0.1197 0.2817 -0.0056 250 TRP c CZ3 ? ? 1 +35038 C CE3 . TRP W 232 0.5838 1.1747 1.0602 0.1261 0.2752 -0.0076 250 TRP c CE3 ? ? 1 +35039 C CD2 . TRP W 232 0.5807 1.1589 1.0452 0.1246 0.2636 -0.0061 250 TRP c CD2 ? ? 1 +35040 C C . TRP W 232 0.6232 1.1521 1.0262 0.1371 0.2596 -0.0093 250 TRP c C ? ? 1 +35041 O O . TRP W 232 0.6311 1.1566 1.0272 0.1335 0.2668 -0.0072 250 TRP c O ? ? 1 +35042 N N . HIS W 233 0.6220 1.1391 1.0142 0.1374 0.2486 -0.0093 251 HIS c N ? ? 1 +35043 C CA . HIS W 233 0.6282 1.1295 1.0016 0.1331 0.2436 -0.0068 251 HIS c CA ? ? 1 +35044 C CB . HIS W 233 0.6150 1.1108 0.9864 0.1320 0.2301 -0.0067 251 HIS c CB ? ? 1 +35045 C CG . HIS W 233 0.5922 1.0997 0.9805 0.1258 0.2247 -0.0042 251 HIS c CG ? ? 1 +35046 N ND1 . HIS W 233 0.5885 1.0983 0.9782 0.1196 0.2278 -0.0010 251 HIS c ND1 ? ? 1 +35047 C CE1 . HIS W 233 0.5695 1.0902 0.9756 0.1154 0.2218 0.0004 251 HIS c CE1 ? ? 1 +35048 N NE2 . HIS W 233 0.5598 1.0856 0.9752 0.1185 0.2153 -0.0017 251 HIS c NE2 ? ? 1 +35049 C CD2 . HIS W 233 0.5734 1.0908 0.9776 0.1252 0.2171 -0.0046 251 HIS c CD2 ? ? 1 +35050 C C . HIS W 233 0.6545 1.1382 1.0032 0.1361 0.2487 -0.0074 251 HIS c C ? ? 1 +35051 O O . HIS W 233 0.6657 1.1385 0.9998 0.1323 0.2483 -0.0049 251 HIS c O ? ? 1 +35052 N N . ILE W 234 0.6668 1.1477 1.0105 0.1432 0.2535 -0.0107 252 ILE c N ? ? 1 +35053 C CA . ILE W 234 0.6913 1.1572 1.0130 0.1464 0.2603 -0.0115 252 ILE c CA ? ? 1 +35054 C CB . ILE W 234 0.7017 1.1636 1.0182 0.1548 0.2627 -0.0156 252 ILE c CB ? ? 1 +35055 C CG1 . ILE W 234 0.6994 1.1518 1.0091 0.1570 0.2504 -0.0173 252 ILE c CG1 ? ? 1 +35056 C CG2 . ILE W 234 0.7245 1.1732 1.0203 0.1582 0.2720 -0.0165 252 ILE c CG2 ? ? 1 +35057 C CD1 . ILE W 234 0.7099 1.1573 1.0141 0.1651 0.2516 -0.0213 252 ILE c CD1 ? ? 1 +35058 C C . ILE W 234 0.7011 1.1723 1.0248 0.1435 0.2724 -0.0095 252 ILE c C ? ? 1 +35059 O O . ILE W 234 0.7151 1.1742 1.0218 0.1408 0.2748 -0.0073 252 ILE c O ? ? 1 +35060 N N . LEU W 235 0.6954 1.1850 1.0405 0.1439 0.2796 -0.0102 253 LEU c N ? ? 1 +35061 C CA . LEU W 235 0.7026 1.1985 1.0513 0.1419 0.2925 -0.0090 253 LEU c CA ? ? 1 +35062 C CB . LEU W 235 0.6942 1.2100 1.0661 0.1451 0.2998 -0.0116 253 LEU c CB ? ? 1 +35063 C CG . LEU W 235 0.7035 1.2177 1.0723 0.1540 0.3022 -0.0158 253 LEU c CG ? ? 1 +35064 C CD1 . LEU W 235 0.6947 1.2301 1.0881 0.1569 0.3090 -0.0181 253 LEU c CD1 ? ? 1 +35065 C CD2 . LEU W 235 0.7274 1.2253 1.0725 0.1577 0.3101 -0.0165 253 LEU c CD2 ? ? 1 +35066 C C . LEU W 235 0.6972 1.1962 1.0502 0.1335 0.2927 -0.0049 253 LEU c C ? ? 1 +35067 O O . LEU W 235 0.7075 1.2061 1.0568 0.1310 0.3028 -0.0033 253 LEU c O ? ? 1 +35068 N N . THR W 236 0.6841 1.1858 1.0444 0.1292 0.2818 -0.0032 254 THR c N ? ? 1 +35069 C CA . THR W 236 0.6794 1.1850 1.0453 0.1214 0.2815 0.0006 254 THR c CA ? ? 1 +35070 C CB . THR W 236 0.6562 1.1817 1.0494 0.1182 0.2773 0.0007 254 THR c CB ? ? 1 +35071 O OG1 . THR W 236 0.6452 1.1700 1.0413 0.1203 0.2651 -0.0006 254 THR c OG1 ? ? 1 +35072 C CG2 . THR W 236 0.6516 1.1953 1.0650 0.1205 0.2869 -0.0016 254 THR c CG2 ? ? 1 +35073 C C . THR W 236 0.6867 1.1760 1.0342 0.1179 0.2728 0.0033 254 THR c C ? ? 1 +35074 O O . THR W 236 0.6912 1.1668 1.0227 0.1211 0.2657 0.0021 254 THR c O ? ? 1 +35075 N N . THR W 237 0.6876 1.1786 1.0377 0.1112 0.2736 0.0068 255 THR c N ? ? 1 +35076 C CA . THR W 237 0.6925 1.1714 1.0295 0.1072 0.2649 0.0096 255 THR c CA ? ? 1 +35077 C CB . THR W 237 0.7142 1.1785 1.0301 0.1058 0.2720 0.0119 255 THR c CB ? ? 1 +35078 O OG1 . THR W 237 0.7240 1.1729 1.0219 0.1047 0.2623 0.0134 255 THR c OG1 ? ? 1 +35079 C CG2 . THR W 237 0.7110 1.1832 1.0360 0.0999 0.2806 0.0149 255 THR c CG2 ? ? 1 +35080 C C . THR W 237 0.6746 1.1663 1.0309 0.1011 0.2594 0.0117 255 THR c C ? ? 1 +35081 O O . THR W 237 0.6681 1.1754 1.0434 0.0987 0.2656 0.0119 255 THR c O ? ? 1 +35082 N N . PRO W 238 0.6700 1.1563 1.0226 0.0984 0.2478 0.0132 256 PRO c N ? ? 1 +35083 C CA . PRO W 238 0.6522 1.1506 1.0232 0.0929 0.2424 0.0151 256 PRO c CA ? ? 1 +35084 C CB . PRO W 238 0.6491 1.1362 1.0086 0.0912 0.2300 0.0163 256 PRO c CB ? ? 1 +35085 C CG . PRO W 238 0.6628 1.1360 1.0041 0.0968 0.2270 0.0139 256 PRO c CG ? ? 1 +35086 C CD . PRO W 238 0.6807 1.1495 1.0123 0.1004 0.2392 0.0129 256 PRO c CD ? ? 1 +35087 C C . PRO W 238 0.6548 1.1591 1.0323 0.0872 0.2506 0.0180 256 PRO c C ? ? 1 +35088 O O . PRO W 238 0.6696 1.1622 1.0307 0.0858 0.2557 0.0202 256 PRO c O ? ? 1 +35089 N N . PHE W 239 0.6413 1.1633 1.0424 0.0841 0.2515 0.0180 257 PHE c N ? ? 1 +35090 C CA . PHE W 239 0.6402 1.1695 1.0504 0.0782 0.2586 0.0206 257 PHE c CA ? ? 1 +35091 C CB . PHE W 239 0.6229 1.1738 1.0610 0.0766 0.2606 0.0192 257 PHE c CB ? ? 1 +35092 C CG . PHE W 239 0.6241 1.1846 1.0713 0.0819 0.2674 0.0156 257 PHE c CG ? ? 1 +35093 C CD1 . PHE W 239 0.6417 1.1998 1.0823 0.0837 0.2797 0.0150 257 PHE c CD1 ? ? 1 +35094 C CD2 . PHE W 239 0.6107 1.1826 1.0733 0.0854 0.2616 0.0127 257 PHE c CD2 ? ? 1 +35095 C CE1 . PHE W 239 0.6425 1.2099 1.0919 0.0889 0.2860 0.0115 257 PHE c CE1 ? ? 1 +35096 C CE2 . PHE W 239 0.6132 1.1941 1.0843 0.0908 0.2676 0.0093 257 PHE c CE2 ? ? 1 +35097 C CZ . PHE W 239 0.6295 1.2083 1.0942 0.0926 0.2798 0.0086 257 PHE c CZ ? ? 1 +35098 C C . PHE W 239 0.6367 1.1585 1.0404 0.0727 0.2518 0.0242 257 PHE c C ? ? 1 +35099 O O . PHE W 239 0.6317 1.1473 1.0298 0.0732 0.2407 0.0243 257 PHE c O ? ? 1 +35100 N N . GLY W 240 0.6402 1.1632 1.0454 0.0675 0.2587 0.0270 258 GLY c N ? ? 1 +35101 C CA . GLY W 240 0.6409 1.1555 1.0380 0.0625 0.2540 0.0306 258 GLY c CA ? ? 1 +35102 C C . GLY W 240 0.6241 1.1455 1.0336 0.0599 0.2420 0.0310 258 GLY c C ? ? 1 +35103 O O . GLY W 240 0.6210 1.1319 1.0190 0.0590 0.2335 0.0327 258 GLY c O ? ? 1 +35104 N N . TRP W 241 0.6107 1.1498 1.0436 0.0590 0.2414 0.0293 259 TRP c N ? ? 1 +35105 C CA . TRP W 241 0.5936 1.1402 1.0395 0.0565 0.2309 0.0296 259 TRP c CA ? ? 1 +35106 C CB . TRP W 241 0.5732 1.1404 1.0455 0.0554 0.2329 0.0277 259 TRP c CB ? ? 1 +35107 C CG . TRP W 241 0.5681 1.1431 1.0481 0.0613 0.2342 0.0239 259 TRP c CG ? ? 1 +35108 C CD1 . TRP W 241 0.5744 1.1566 1.0603 0.0637 0.2446 0.0220 259 TRP c CD1 ? ? 1 +35109 N NE1 . TRP W 241 0.5699 1.1580 1.0622 0.0696 0.2421 0.0186 259 TRP c NE1 ? ? 1 +35110 C CE2 . TRP W 241 0.5592 1.1439 1.0501 0.0707 0.2301 0.0183 259 TRP c CE2 ? ? 1 +35111 C CZ2 . TRP W 241 0.5551 1.1426 1.0501 0.0759 0.2236 0.0156 259 TRP c CZ2 ? ? 1 +35112 C CH2 . TRP W 241 0.5481 1.1304 1.0400 0.0754 0.2119 0.0161 259 TRP c CH2 ? ? 1 +35113 C CZ3 . TRP W 241 0.5445 1.1199 1.0300 0.0702 0.2066 0.0192 259 TRP c CZ3 ? ? 1 +35114 C CE3 . TRP W 241 0.5506 1.1233 1.0320 0.0654 0.2128 0.0220 259 TRP c CE3 ? ? 1 +35115 C CD2 . TRP W 241 0.5582 1.1353 1.0420 0.0655 0.2249 0.0216 259 TRP c CD2 ? ? 1 +35116 C C . TRP W 241 0.5959 1.1348 1.0332 0.0604 0.2195 0.0283 259 TRP c C ? ? 1 +35117 O O . TRP W 241 0.5797 1.1171 1.0180 0.0579 0.2101 0.0296 259 TRP c O ? ? 1 +35118 N N . ALA W 242 0.6113 1.1457 1.0406 0.0663 0.2209 0.0256 260 ALA c N ? ? 1 +35119 C CA . ALA W 242 0.6190 1.1446 1.0382 0.0702 0.2113 0.0240 260 ALA c CA ? ? 1 +35120 C CB . ALA W 242 0.6230 1.1493 1.0411 0.0766 0.2144 0.0205 260 ALA c CB ? ? 1 +35121 C C . ALA W 242 0.6451 1.1522 1.0406 0.0698 0.2083 0.0259 260 ALA c C ? ? 1 +35122 O O . ALA W 242 0.6353 1.1361 1.0250 0.0694 0.1980 0.0263 260 ALA c O ? ? 1 +35123 N N . ARG W 243 0.6750 1.1735 1.0569 0.0700 0.2173 0.0272 261 ARG c N ? ? 1 +35124 C CA . ARG W 243 0.6987 1.1793 1.0572 0.0700 0.2150 0.0290 261 ARG c CA ? ? 1 +35125 C CB . ARG W 243 0.7327 1.2054 1.0780 0.0703 0.2269 0.0303 261 ARG c CB ? ? 1 +35126 C CG . ARG W 243 0.7606 1.2302 1.0988 0.0761 0.2335 0.0274 261 ARG c CG ? ? 1 +35127 C CD . ARG W 243 0.8011 1.2586 1.1206 0.0770 0.2436 0.0287 261 ARG c CD ? ? 1 +35128 N NE . ARG W 243 0.8214 1.2880 1.1516 0.0735 0.2552 0.0302 261 ARG c NE ? ? 1 +35129 C CZ . ARG W 243 0.8402 1.3029 1.1662 0.0686 0.2590 0.0337 261 ARG c CZ ? ? 1 +35130 N NH1 . ARG W 243 0.8540 1.3070 1.1698 0.0661 0.2510 0.0362 261 ARG c NH1 ? ? 1 +35131 N NH2 . ARG W 243 0.8391 1.3080 1.1719 0.0660 0.2712 0.0346 261 ARG c NH2 ? ? 1 +35132 C C . ARG W 243 0.6857 1.1645 1.0448 0.0651 0.2072 0.0319 261 ARG c C ? ? 1 +35133 O O . ARG W 243 0.6930 1.1604 1.0385 0.0658 0.1988 0.0322 261 ARG c O ? ? 1 +35134 N N . ARG W 244 0.6677 1.1579 1.0431 0.0602 0.2097 0.0337 262 ARG c N ? ? 1 +35135 C CA . ARG W 244 0.6571 1.1462 1.0341 0.0554 0.2031 0.0366 262 ARG c CA ? ? 1 +35136 C CB . ARG W 244 0.6636 1.1625 1.0541 0.0502 0.2105 0.0388 262 ARG c CB ? ? 1 +35137 C CG . ARG W 244 0.6990 1.1893 1.0764 0.0494 0.2219 0.0407 262 ARG c CG ? ? 1 +35138 C CD . ARG W 244 0.7066 1.2037 1.0945 0.0434 0.2287 0.0433 262 ARG c CD ? ? 1 +35139 N NE . ARG W 244 0.7089 1.2229 1.1177 0.0423 0.2362 0.0415 262 ARG c NE ? ? 1 +35140 C CZ . ARG W 244 0.7283 1.2444 1.1369 0.0438 0.2475 0.0404 262 ARG c CZ ? ? 1 +35141 N NH1 . ARG W 244 0.7509 1.2529 1.1388 0.0467 0.2531 0.0408 262 ARG c NH1 ? ? 1 +35142 N NH2 . ARG W 244 0.7239 1.2570 1.1536 0.0425 0.2533 0.0386 262 ARG c NH2 ? ? 1 +35143 C C . ARG W 244 0.6268 1.1219 1.0143 0.0550 0.1911 0.0355 262 ARG c C ? ? 1 +35144 O O . ARG W 244 0.6191 1.1105 1.0041 0.0522 0.1838 0.0374 262 ARG c O ? ? 1 +35145 N N . ALA W 245 0.6019 1.1058 1.0007 0.0581 0.1892 0.0324 263 ALA c N ? ? 1 +35146 C CA . ALA W 245 0.5737 1.0854 0.9854 0.0575 0.1793 0.0313 263 ALA c CA ? ? 1 +35147 C CB . ALA W 245 0.5600 1.0873 0.9915 0.0589 0.1821 0.0290 263 ALA c CB ? ? 1 +35148 C C . ALA W 245 0.5693 1.0709 0.9689 0.0606 0.1698 0.0297 263 ALA c C ? ? 1 +35149 O O . ALA W 245 0.5551 1.0596 0.9611 0.0591 0.1606 0.0296 263 ALA c O ? ? 1 +35150 N N . PHE W 246 0.5794 1.0692 0.9616 0.0648 0.1721 0.0284 264 PHE c N ? ? 1 +35151 C CA . PHE W 246 0.5786 1.0590 0.9494 0.0681 0.1640 0.0262 264 PHE c CA ? ? 1 +35152 C CB . PHE W 246 0.5877 1.0678 0.9568 0.0735 0.1682 0.0229 264 PHE c CB ? ? 1 +35153 C CG . PHE W 246 0.5734 1.0686 0.9632 0.0745 0.1683 0.0211 264 PHE c CG ? ? 1 +35154 C CD1 . PHE W 246 0.5605 1.0591 0.9579 0.0746 0.1590 0.0198 264 PHE c CD1 ? ? 1 +35155 C CD2 . PHE W 246 0.5739 1.0798 0.9754 0.0754 0.1779 0.0207 264 PHE c CD2 ? ? 1 +35156 C CE1 . PHE W 246 0.5484 1.0602 0.9639 0.0759 0.1589 0.0182 264 PHE c CE1 ? ? 1 +35157 C CE2 . PHE W 246 0.5599 1.0798 0.9803 0.0766 0.1776 0.0188 264 PHE c CE2 ? ? 1 +35158 C CZ . PHE W 246 0.5477 1.0702 0.9746 0.0770 0.1680 0.0177 264 PHE c CZ ? ? 1 +35159 C C . PHE W 246 0.5874 1.0510 0.9358 0.0683 0.1610 0.0273 264 PHE c C ? ? 1 +35160 O O . PHE W 246 0.6026 1.0601 0.9411 0.0673 0.1671 0.0295 264 PHE c O ? ? 1 +35161 N N . ILE W 247 0.5778 1.0343 0.9184 0.0697 0.1514 0.0257 265 ILE c N ? ? 1 +35162 C CA . ILE W 247 0.5861 1.0264 0.9046 0.0712 0.1478 0.0257 265 ILE c CA ? ? 1 +35163 C CB . ILE W 247 0.5786 1.0157 0.8955 0.0697 0.1354 0.0252 265 ILE c CB ? ? 1 +35164 C CG1 . ILE W 247 0.5630 1.0091 0.8938 0.0647 0.1316 0.0278 265 ILE c CG1 ? ? 1 +35165 C CG2 . ILE W 247 0.5945 1.0153 0.8888 0.0712 0.1312 0.0249 265 ILE c CG2 ? ? 1 +35166 C CD1 . ILE W 247 0.5696 1.0124 0.8947 0.0621 0.1359 0.0313 265 ILE c CD1 ? ? 1 +35167 C C . ILE W 247 0.5935 1.0260 0.9001 0.0765 0.1515 0.0227 265 ILE c C ? ? 1 +35168 O O . ILE W 247 0.5869 1.0241 0.9010 0.0790 0.1499 0.0200 265 ILE c O ? ? 1 +35169 N N . TRP W 248 0.6059 1.0259 0.8933 0.0784 0.1564 0.0232 266 TRP c N ? ? 1 +35170 C CA . TRP W 248 0.6179 1.0299 0.8928 0.0835 0.1610 0.0206 266 TRP c CA ? ? 1 +35171 C CB . TRP W 248 0.6315 1.0422 0.9014 0.0845 0.1738 0.0220 266 TRP c CB ? ? 1 +35172 C CG . TRP W 248 0.6199 1.0471 0.9115 0.0821 0.1805 0.0231 266 TRP c CG ? ? 1 +35173 C CD1 . TRP W 248 0.6100 1.0453 0.9130 0.0772 0.1813 0.0261 266 TRP c CD1 ? ? 1 +35174 N NE1 . TRP W 248 0.5988 1.0495 0.9219 0.0762 0.1875 0.0259 266 TRP c NE1 ? ? 1 +35175 C CE2 . TRP W 248 0.6026 1.0556 0.9277 0.0808 0.1906 0.0227 266 TRP c CE2 ? ? 1 +35176 C CZ2 . TRP W 248 0.5964 1.0635 0.9390 0.0822 0.1967 0.0211 266 TRP c CZ2 ? ? 1 +35177 C CH2 . TRP W 248 0.6022 1.0676 0.9417 0.0877 0.1987 0.0179 266 TRP c CH2 ? ? 1 +35178 C CZ3 . TRP W 248 0.6160 1.0663 0.9358 0.0915 0.1948 0.0161 266 TRP c CZ3 ? ? 1 +35179 C CE3 . TRP W 248 0.6229 1.0597 0.9257 0.0899 0.1885 0.0175 266 TRP c CE3 ? ? 1 +35180 C CD2 . TRP W 248 0.6155 1.0538 0.9210 0.0846 0.1864 0.0209 266 TRP c CD2 ? ? 1 +35181 C C . TRP W 248 0.6267 1.0228 0.8808 0.0856 0.1536 0.0191 266 TRP c C ? ? 1 +35182 O O . TRP W 248 0.6447 1.0288 0.8808 0.0862 0.1555 0.0204 266 TRP c O ? ? 1 +35183 N N . SER W 249 0.6142 1.0103 0.8711 0.0865 0.1449 0.0164 267 SER c N ? ? 1 +35184 C CA . SER W 249 0.6202 1.0026 0.8596 0.0881 0.1368 0.0144 267 SER c CA ? ? 1 +35185 C CB . SER W 249 0.6142 0.9945 0.8517 0.0842 0.1279 0.0163 267 SER c CB ? ? 1 +35186 O OG . SER W 249 0.5945 0.9849 0.8489 0.0814 0.1203 0.0158 267 SER c OG ? ? 1 +35187 C C . SER W 249 0.6111 0.9943 0.8547 0.0903 0.1315 0.0107 267 SER c C ? ? 1 +35188 O O . SER W 249 0.5945 0.9898 0.8562 0.0897 0.1316 0.0102 267 SER c O ? ? 1 +35189 N N . GLY W 250 0.6223 0.9922 0.8486 0.0929 0.1269 0.0080 268 GLY c N ? ? 1 +35190 C CA . GLY W 250 0.6180 0.9861 0.8453 0.0949 0.1214 0.0043 268 GLY c CA ? ? 1 +35191 C C . GLY W 250 0.5954 0.9733 0.8398 0.0913 0.1131 0.0043 268 GLY c C ? ? 1 +35192 O O . GLY W 250 0.5851 0.9699 0.8415 0.0923 0.1130 0.0027 268 GLY c O ? ? 1 +35193 N N . GLU W 251 0.5874 0.9657 0.8326 0.0873 0.1063 0.0062 269 GLU c N ? ? 1 +35194 C CA . GLU W 251 0.5675 0.9543 0.8275 0.0836 0.0982 0.0062 269 GLU c CA ? ? 1 +35195 C CB . GLU W 251 0.5645 0.9486 0.8206 0.0799 0.0904 0.0077 269 GLU c CB ? ? 1 +35196 C CG . GLU W 251 0.5483 0.9387 0.8168 0.0766 0.0811 0.0069 269 GLU c CG ? ? 1 +35197 C CD . GLU W 251 0.5471 0.9341 0.8110 0.0734 0.0721 0.0075 269 GLU c CD ? ? 1 +35198 O OE1 . GLU W 251 0.5558 0.9376 0.8095 0.0733 0.0730 0.0094 269 GLU c OE1 ? ? 1 +35199 O OE2 . GLU W 251 0.5375 0.9269 0.8080 0.0713 0.0642 0.0058 269 GLU c OE2 ? ? 1 +35200 C C . GLU W 251 0.5485 0.9512 0.8302 0.0819 0.1026 0.0082 269 GLU c C ? ? 1 +35201 O O . GLU W 251 0.5346 0.9448 0.8297 0.0809 0.0987 0.0072 269 GLU c O ? ? 1 +35202 N N . ALA W 252 0.5489 0.9562 0.8336 0.0815 0.1107 0.0109 270 ALA c N ? ? 1 +35203 C CA . ALA W 252 0.5328 0.9551 0.8376 0.0798 0.1154 0.0127 270 ALA c CA ? ? 1 +35204 C CB . ALA W 252 0.5370 0.9618 0.8415 0.0788 0.1241 0.0157 270 ALA c CB ? ? 1 +35205 C C . ALA W 252 0.5300 0.9576 0.8430 0.0834 0.1192 0.0103 270 ALA c C ? ? 1 +35206 O O . ALA W 252 0.5144 0.9530 0.8444 0.0822 0.1173 0.0101 270 ALA c O ? ? 1 +35207 N N . TYR W 253 0.5461 0.9652 0.8463 0.0879 0.1244 0.0082 271 TYR c N ? ? 1 +35208 C CA . TYR W 253 0.5465 0.9694 0.8526 0.0921 0.1285 0.0058 271 TYR c CA ? ? 1 +35209 C CB . TYR W 253 0.5667 0.9789 0.8562 0.0971 0.1355 0.0039 271 TYR c CB ? ? 1 +35210 C CG . TYR W 253 0.5764 0.9871 0.8591 0.0969 0.1443 0.0062 271 TYR c CG ? ? 1 +35211 C CD1 . TYR W 253 0.5655 0.9882 0.8624 0.0938 0.1495 0.0092 271 TYR c CD1 ? ? 1 +35212 C CD2 . TYR W 253 0.5973 0.9939 0.8590 0.0998 0.1478 0.0054 271 TYR c CD2 ? ? 1 +35213 C CE1 . TYR W 253 0.5754 0.9960 0.8657 0.0933 0.1579 0.0114 271 TYR c CE1 ? ? 1 +35214 C CE2 . TYR W 253 0.6075 1.0019 0.8621 0.0996 0.1563 0.0077 271 TYR c CE2 ? ? 1 +35215 C CZ . TYR W 253 0.5965 1.0028 0.8656 0.0962 0.1614 0.0107 271 TYR c CZ ? ? 1 +35216 O OH . TYR W 253 0.6078 1.0113 0.8695 0.0957 0.1701 0.0130 271 TYR c OH ? ? 1 +35217 C C . TYR W 253 0.5398 0.9620 0.8500 0.0923 0.1199 0.0033 271 TYR c C ? ? 1 +35218 O O . TYR W 253 0.5307 0.9620 0.8549 0.0935 0.1204 0.0024 271 TYR c O ? ? 1 +35219 N N . LEU W 254 0.5461 0.9576 0.8440 0.0912 0.1119 0.0022 272 LEU c N ? ? 1 +35220 C CA . LEU W 254 0.5390 0.9493 0.8404 0.0905 0.1033 0.0000 272 LEU c CA ? ? 1 +35221 C CB . LEU W 254 0.5489 0.9464 0.8344 0.0890 0.0954 -0.0013 272 LEU c CB ? ? 1 +35222 C CG . LEU W 254 0.5429 0.9385 0.8313 0.0873 0.0860 -0.0035 272 LEU c CG ? ? 1 +35223 C CD1 . LEU W 254 0.5489 0.9399 0.8348 0.0915 0.0872 -0.0068 272 LEU c CD1 ? ? 1 +35224 C CD2 . LEU W 254 0.5508 0.9362 0.8260 0.0849 0.0783 -0.0043 272 LEU c CD2 ? ? 1 +35225 C C . LEU W 254 0.5168 0.9404 0.8380 0.0865 0.0994 0.0018 272 LEU c C ? ? 1 +35226 O O . LEU W 254 0.5082 0.9365 0.8393 0.0872 0.0968 0.0005 272 LEU c O ? ? 1 +35227 N N . SER W 255 0.5084 0.9378 0.8351 0.0826 0.0992 0.0049 273 SER c N ? ? 1 +35228 C CA . SER W 255 0.4893 0.9307 0.8337 0.0787 0.0954 0.0067 273 SER c CA ? ? 1 +35229 C CB . SER W 255 0.4847 0.9290 0.8307 0.0744 0.0944 0.0099 273 SER c CB ? ? 1 +35230 O OG . SER W 255 0.4852 0.9359 0.8362 0.0744 0.1030 0.0122 273 SER c OG ? ? 1 +35231 C C . SER W 255 0.4787 0.9326 0.8398 0.0803 0.1009 0.0069 273 SER c C ? ? 1 +35232 O O . SER W 255 0.4656 0.9265 0.8392 0.0793 0.0967 0.0064 273 SER c O ? ? 1 +35233 N N . TYR W 256 0.4856 0.9424 0.8468 0.0828 0.1102 0.0074 274 TYR c N ? ? 1 +35234 C CA . TYR W 256 0.4778 0.9471 0.8549 0.0846 0.1159 0.0073 274 TYR c CA ? ? 1 +35235 C CB . TYR W 256 0.4865 0.9579 0.8618 0.0871 0.1268 0.0079 274 TYR c CB ? ? 1 +35236 C CG . TYR W 256 0.4902 0.9596 0.8596 0.0840 0.1303 0.0107 274 TYR c CG ? ? 1 +35237 C CD1 . TYR W 256 0.4795 0.9531 0.8551 0.0788 0.1259 0.0133 274 TYR c CD1 ? ? 1 +35238 C CD2 . TYR W 256 0.5054 0.9681 0.8623 0.0863 0.1383 0.0108 274 TYR c CD2 ? ? 1 +35239 C CE1 . TYR W 256 0.4843 0.9551 0.8536 0.0760 0.1291 0.0160 274 TYR c CE1 ? ? 1 +35240 C CE2 . TYR W 256 0.5109 0.9706 0.8612 0.0835 0.1417 0.0135 274 TYR c CE2 ? ? 1 +35241 C CZ . TYR W 256 0.5003 0.9639 0.8568 0.0784 0.1371 0.0162 274 TYR c CZ ? ? 1 +35242 O OH . TYR W 256 0.5063 0.9662 0.8556 0.0758 0.1405 0.0190 274 TYR c OH ? ? 1 +35243 C C . TYR W 256 0.4783 0.9468 0.8578 0.0886 0.1137 0.0043 274 TYR c C ? ? 1 +35244 O O . TYR W 256 0.4654 0.9443 0.8604 0.0886 0.1126 0.0043 274 TYR c O ? ? 1 +35245 N N . SER W 257 0.4949 0.9506 0.8585 0.0920 0.1131 0.0018 275 SER c N ? ? 1 +35246 C CA . SER W 257 0.4987 0.9514 0.8622 0.0959 0.1110 -0.0011 275 SER c CA ? ? 1 +35247 C CB . SER W 257 0.5195 0.9579 0.8639 0.1002 0.1133 -0.0037 275 SER c CB ? ? 1 +35248 O OG . SER W 257 0.5291 0.9691 0.8711 0.1037 0.1231 -0.0036 275 SER c OG ? ? 1 +35249 C C . SER W 257 0.4899 0.9420 0.8579 0.0932 0.1014 -0.0016 275 SER c C ? ? 1 +35250 O O . SER W 257 0.4848 0.9402 0.8605 0.0953 0.0998 -0.0030 275 SER c O ? ? 1 +35251 N N . LEU W 258 0.4893 0.9373 0.8527 0.0885 0.0950 -0.0005 276 LEU c N ? ? 1 +35252 C CA . LEU W 258 0.4801 0.9283 0.8486 0.0853 0.0862 -0.0009 276 LEU c CA ? ? 1 +35253 C CB . LEU W 258 0.4809 0.9231 0.8414 0.0807 0.0799 0.0000 276 LEU c CB ? ? 1 +35254 C CG . LEU W 258 0.4981 0.9251 0.8390 0.0821 0.0775 -0.0023 276 LEU c CG ? ? 1 +35255 C CD1 . LEU W 258 0.4990 0.9218 0.8330 0.0779 0.0720 -0.0012 276 LEU c CD1 ? ? 1 +35256 C CD2 . LEU W 258 0.5021 0.9219 0.8392 0.0834 0.0726 -0.0055 276 LEU c CD2 ? ? 1 +35257 C C . LEU W 258 0.4635 0.9263 0.8519 0.0834 0.0859 0.0009 276 LEU c C ? ? 1 +35258 O O . LEU W 258 0.4568 0.9214 0.8520 0.0832 0.0813 0.0000 276 LEU c O ? ? 1 +35259 N N . GLY W 259 0.4589 0.9315 0.8561 0.0820 0.0909 0.0035 277 GLY c N ? ? 1 +35260 C CA . GLY W 259 0.4439 0.9308 0.8600 0.0805 0.0915 0.0050 277 GLY c CA ? ? 1 +35261 C C . GLY W 259 0.4444 0.9367 0.8685 0.0854 0.0951 0.0033 277 GLY c C ? ? 1 +35262 O O . GLY W 259 0.4350 0.9341 0.8708 0.0851 0.0917 0.0032 277 GLY c O ? ? 1 +35263 N N . ALA W 260 0.4575 0.9463 0.8745 0.0900 0.1018 0.0018 278 ALA c N ? ? 1 +35264 C CA . ALA W 260 0.4591 0.9524 0.8825 0.0954 0.1055 -0.0001 278 ALA c CA ? ? 1 +35265 C CB . ALA W 260 0.4733 0.9624 0.8876 0.0999 0.1137 -0.0013 278 ALA c CB ? ? 1 +35266 C C . ALA W 260 0.4632 0.9494 0.8831 0.0974 0.0993 -0.0023 278 ALA c C ? ? 1 +35267 O O . ALA W 260 0.4539 0.9472 0.8854 0.0989 0.0977 -0.0027 278 ALA c O ? ? 1 +35268 N N . LEU W 261 0.4789 0.9507 0.8826 0.0973 0.0956 -0.0037 279 LEU c N ? ? 1 +35269 C CA . LEU W 261 0.4846 0.9480 0.8835 0.0987 0.0898 -0.0060 279 LEU c CA ? ? 1 +35270 C CB . LEU W 261 0.4999 0.9474 0.8797 0.0983 0.0869 -0.0078 279 LEU c CB ? ? 1 +35271 C CG . LEU W 261 0.5185 0.9567 0.8845 0.1035 0.0924 -0.0100 279 LEU c CG ? ? 1 +35272 C CD1 . LEU W 261 0.5313 0.9543 0.8826 0.1045 0.0875 -0.0128 279 LEU c CD1 ? ? 1 +35273 C CD2 . LEU W 261 0.5201 0.9652 0.8936 0.1095 0.0995 -0.0108 279 LEU c CD2 ? ? 1 +35274 C C . LEU W 261 0.4726 0.9410 0.8819 0.0945 0.0826 -0.0049 279 LEU c C ? ? 1 +35275 O O . LEU W 261 0.4708 0.9385 0.8838 0.0965 0.0799 -0.0061 279 LEU c O ? ? 1 +35276 N N . SER W 262 0.4656 0.9386 0.8795 0.0889 0.0798 -0.0025 280 SER c N ? ? 1 +35277 C CA . SER W 262 0.4550 0.9340 0.8798 0.0849 0.0736 -0.0013 280 SER c CA ? ? 1 +35278 C CB . SER W 262 0.4463 0.9294 0.8739 0.0792 0.0713 0.0013 280 SER c CB ? ? 1 +35279 O OG . SER W 262 0.4320 0.9225 0.8719 0.0757 0.0664 0.0026 280 SER c OG ? ? 1 +35280 C C . SER W 262 0.4483 0.9395 0.8892 0.0871 0.0756 -0.0007 280 SER c C ? ? 1 +35281 O O . SER W 262 0.4438 0.9349 0.8891 0.0877 0.0716 -0.0014 280 SER c O ? ? 1 +35282 N N . MET W 263 0.4500 0.9515 0.8992 0.0882 0.0820 0.0006 281 MET c N ? ? 1 +35283 C CA . MET W 263 0.4465 0.9609 0.9116 0.0904 0.0844 0.0009 281 MET c CA ? ? 1 +35284 C CB . MET W 263 0.4611 0.9854 0.9330 0.0909 0.0920 0.0021 281 MET c CB ? ? 1 +35285 C CG . MET W 263 0.4690 1.0066 0.9566 0.0939 0.0953 0.0019 281 MET c CG ? ? 1 +35286 S SD . MET W 263 0.4904 1.0419 0.9892 0.0925 0.1035 0.0036 281 MET c SD ? ? 1 +35287 C CE . MET W 263 0.5069 1.0531 0.9960 0.0981 0.1113 0.0015 281 MET c CE ? ? 1 +35288 C C . MET W 263 0.4422 0.9533 0.9060 0.0965 0.0849 -0.0016 281 MET c C ? ? 1 +35289 O O . MET W 263 0.4321 0.9482 0.9053 0.0974 0.0819 -0.0017 281 MET c O ? ? 1 +35290 N N . MET W 264 0.4495 0.9512 0.9008 0.1007 0.0885 -0.0036 282 MET c N ? ? 1 +35291 C CA . MET W 264 0.4533 0.9498 0.9012 0.1068 0.0889 -0.0062 282 MET c CA ? ? 1 +35292 C CB . MET W 264 0.4709 0.9578 0.9047 0.1110 0.0941 -0.0081 282 MET c CB ? ? 1 +35293 C CG . MET W 264 0.4727 0.9690 0.9122 0.1139 0.1027 -0.0079 282 MET c CG ? ? 1 +35294 S SD . MET W 264 0.4947 0.9787 0.9167 0.1194 0.1088 -0.0104 282 MET c SD ? ? 1 +35295 C CE . MET W 264 0.4969 0.9831 0.9153 0.1155 0.1140 -0.0084 282 MET c CE ? ? 1 +35296 C C . MET W 264 0.4499 0.9375 0.8933 0.1057 0.0813 -0.0070 282 MET c C ? ? 1 +35297 O O . MET W 264 0.4460 0.9349 0.8946 0.1092 0.0799 -0.0079 282 MET c O ? ? 1 +35298 N N . GLY W 265 0.4487 0.9271 0.8826 0.1009 0.0764 -0.0068 283 GLY c N ? ? 1 +35299 C CA . GLY W 265 0.4457 0.9156 0.8753 0.0989 0.0694 -0.0076 283 GLY c CA ? ? 1 +35300 C C . GLY W 265 0.4287 0.9077 0.8726 0.0971 0.0657 -0.0061 283 GLY c C ? ? 1 +35301 O O . GLY W 265 0.4289 0.9033 0.8724 0.0988 0.0624 -0.0072 283 GLY c O ? ? 1 +35302 N N . PHE W 266 0.4136 0.9052 0.8697 0.0937 0.0664 -0.0037 284 PHE c N ? ? 1 +35303 C CA . PHE W 266 0.3987 0.9001 0.8688 0.0919 0.0633 -0.0022 284 PHE c CA ? ? 1 +35304 C CB . PHE W 266 0.3874 0.9006 0.8681 0.0872 0.0640 0.0005 284 PHE c CB ? ? 1 +35305 C CG . PHE W 266 0.3860 0.8946 0.8612 0.0810 0.0598 0.0016 284 PHE c CG ? ? 1 +35306 C CD1 . PHE W 266 0.3853 0.8871 0.8570 0.0778 0.0533 0.0013 284 PHE c CD1 ? ? 1 +35307 C CD2 . PHE W 266 0.3864 0.8976 0.8601 0.0783 0.0625 0.0030 284 PHE c CD2 ? ? 1 +35308 C CE1 . PHE W 266 0.3843 0.8827 0.8518 0.0722 0.0493 0.0022 284 PHE c CE1 ? ? 1 +35309 C CE2 . PHE W 266 0.3857 0.8927 0.8544 0.0730 0.0583 0.0040 284 PHE c CE2 ? ? 1 +35310 C CZ . PHE W 266 0.3841 0.8852 0.8502 0.0700 0.0517 0.0035 284 PHE c CZ ? ? 1 +35311 C C . PHE W 266 0.3946 0.9027 0.8734 0.0979 0.0659 -0.0030 284 PHE c C ? ? 1 +35312 O O . PHE W 266 0.3893 0.8984 0.8734 0.0984 0.0621 -0.0029 284 PHE c O ? ? 1 +35313 N N . ILE W 267 0.3978 0.9107 0.8782 0.1024 0.0725 -0.0037 285 ILE c N ? ? 1 +35314 C CA . ILE W 267 0.3966 0.9159 0.8848 0.1087 0.0752 -0.0048 285 ILE c CA ? ? 1 +35315 C CB . ILE W 267 0.4006 0.9273 0.8920 0.1125 0.0832 -0.0055 285 ILE c CB ? ? 1 +35316 C CG1 . ILE W 267 0.3895 0.9292 0.8922 0.1079 0.0858 -0.0032 285 ILE c CG1 ? ? 1 +35317 C CG2 . ILE W 267 0.4025 0.9344 0.9004 0.1199 0.0859 -0.0072 285 ILE c CG2 ? ? 1 +35318 C CD1 . ILE W 267 0.3953 0.9398 0.8982 0.1099 0.0939 -0.0035 285 ILE c CD1 ? ? 1 +35319 C C . ILE W 267 0.4058 0.9129 0.8845 0.1133 0.0727 -0.0070 285 ILE c C ? ? 1 +35320 O O . ILE W 267 0.4027 0.9124 0.8876 0.1163 0.0705 -0.0073 285 ILE c O ? ? 1 +35321 N N . ALA W 268 0.4174 0.9107 0.8804 0.1139 0.0731 -0.0086 286 ALA c N ? ? 1 +35322 C CA . ALA W 268 0.4282 0.9081 0.8803 0.1176 0.0708 -0.0108 286 ALA c CA ? ? 1 +35323 C CB . ALA W 268 0.4424 0.9080 0.8774 0.1171 0.0714 -0.0124 286 ALA c CB ? ? 1 +35324 C C . ALA W 268 0.4234 0.8992 0.8768 0.1146 0.0638 -0.0102 286 ALA c C ? ? 1 +35325 O O . ALA W 268 0.4285 0.8992 0.8803 0.1187 0.0623 -0.0113 286 ALA c O ? ? 1 +35326 N N A THR W 269 0.4145 0.8921 0.8703 0.1074 0.0599 -0.0083 287 THR c N ? ? 1 +35327 N N B THR W 269 0.4144 0.8921 0.8703 0.1074 0.0599 -0.0083 287 THR c N ? ? 1 +35328 C CA A THR W 269 0.4087 0.8833 0.8664 0.1037 0.0536 -0.0076 287 THR c CA ? ? 1 +35329 C CA B THR W 269 0.4087 0.8834 0.8665 0.1037 0.0536 -0.0075 287 THR c CA ? ? 1 +35330 C C A THR W 269 0.4002 0.8841 0.8704 0.1068 0.0530 -0.0067 287 THR c C ? ? 1 +35331 C C B THR W 269 0.3998 0.8841 0.8705 0.1066 0.0530 -0.0067 287 THR c C ? ? 1 +35332 O O A THR W 269 0.4037 0.8810 0.8715 0.1085 0.0498 -0.0074 287 THR c O ? ? 1 +35333 O O B THR W 269 0.4027 0.8807 0.8712 0.1080 0.0496 -0.0072 287 THR c O ? ? 1 +35334 C CB A THR W 269 0.3993 0.8770 0.8595 0.0957 0.0503 -0.0057 287 THR c CB ? ? 1 +35335 C CB B THR W 269 0.3994 0.8770 0.8596 0.0957 0.0503 -0.0057 287 THR c CB ? ? 1 +35336 O OG1 A THR W 269 0.4089 0.8761 0.8560 0.0932 0.0498 -0.0068 287 THR c OG1 ? ? 1 +35337 O OG1 B THR W 269 0.4090 0.8766 0.8563 0.0933 0.0501 -0.0067 287 THR c OG1 ? ? 1 +35338 C CG2 A THR W 269 0.3915 0.8683 0.8559 0.0917 0.0444 -0.0046 287 THR c CG2 ? ? 1 +35339 C CG2 B THR W 269 0.3923 0.8680 0.8556 0.0916 0.0442 -0.0048 287 THR c CG2 ? ? 1 +35340 N N A CYS W 270 0.3904 0.8893 0.8737 0.1075 0.0562 -0.0054 288 CYS c N ? ? 1 +35341 N N B CYS W 270 0.3902 0.8896 0.8740 0.1073 0.0561 -0.0054 288 CYS c N ? ? 1 +35342 C CA A CYS W 270 0.3817 0.8912 0.8781 0.1103 0.0556 -0.0048 288 CYS c CA ? ? 1 +35343 C CA B CYS W 270 0.3819 0.8918 0.8786 0.1103 0.0556 -0.0047 288 CYS c CA ? ? 1 +35344 C C A CYS W 270 0.3904 0.8977 0.8852 0.1188 0.0580 -0.0068 288 CYS c C ? ? 1 +35345 C C B CYS W 270 0.3906 0.8977 0.8852 0.1187 0.0580 -0.0068 288 CYS c C ? ? 1 +35346 O O A CYS W 270 0.3884 0.8969 0.8877 0.1219 0.0555 -0.0068 288 CYS c O ? ? 1 +35347 O O B CYS W 270 0.3885 0.8963 0.8872 0.1217 0.0553 -0.0068 288 CYS c O ? ? 1 +35348 C CB A CYS W 270 0.3694 0.8955 0.8800 0.1082 0.0583 -0.0031 288 CYS c CB ? ? 1 +35349 C CB B CYS W 270 0.3702 0.8969 0.8813 0.1085 0.0585 -0.0031 288 CYS c CB ? ? 1 +35350 S SG A CYS W 270 0.3569 0.8868 0.8716 0.0988 0.0545 -0.0004 288 CYS c SG ? ? 1 +35351 S SG B CYS W 270 0.3569 0.8884 0.8732 0.0991 0.0548 -0.0003 288 CYS c SG ? ? 1 +35352 N N . PHE W 271 0.4011 0.9049 0.8890 0.1228 0.0630 -0.0085 289 PHE c N ? ? 1 +35353 C CA . PHE W 271 0.4116 0.9127 0.8970 0.1312 0.0658 -0.0107 289 PHE c CA ? ? 1 +35354 C CB . PHE W 271 0.4229 0.9206 0.9005 0.1346 0.0719 -0.0124 289 PHE c CB ? ? 1 +35355 C CG . PHE W 271 0.4208 0.9323 0.9095 0.1399 0.0779 -0.0130 289 PHE c CG ? ? 1 +35356 C CD1 . PHE W 271 0.4240 0.9388 0.9176 0.1475 0.0787 -0.0145 289 PHE c CD1 ? ? 1 +35357 C CD2 . PHE W 271 0.4166 0.9376 0.9106 0.1373 0.0828 -0.0122 289 PHE c CD2 ? ? 1 +35358 C CE1 . PHE W 271 0.4215 0.9497 0.9259 0.1524 0.0844 -0.0154 289 PHE c CE1 ? ? 1 +35359 C CE2 . PHE W 271 0.4143 0.9482 0.9188 0.1419 0.0888 -0.0130 289 PHE c CE2 ? ? 1 +35360 C CZ . PHE W 271 0.4168 0.9546 0.9269 0.1494 0.0894 -0.0147 289 PHE c CZ ? ? 1 +35361 C C . PHE W 271 0.4210 0.9073 0.8960 0.1334 0.0615 -0.0118 289 PHE c C ? ? 1 +35362 O O . PHE W 271 0.4223 0.9101 0.9014 0.1386 0.0603 -0.0122 289 PHE c O ? ? 1 +35363 N N A VAL W 272 0.4281 0.9002 0.8897 0.1293 0.0590 -0.0122 290 VAL c N ? ? 1 +35364 N N B VAL W 272 0.4277 0.8999 0.8893 0.1292 0.0589 -0.0122 290 VAL c N ? ? 1 +35365 C CA A VAL W 272 0.4383 0.8950 0.8887 0.1309 0.0553 -0.0135 290 VAL c CA ? ? 1 +35366 C CA B VAL W 272 0.4377 0.8943 0.8879 0.1306 0.0552 -0.0134 290 VAL c CA ? ? 1 +35367 C C A VAL W 272 0.4288 0.8868 0.8852 0.1280 0.0499 -0.0118 290 VAL c C ? ? 1 +35368 C C B VAL W 272 0.4283 0.8860 0.8844 0.1279 0.0499 -0.0118 290 VAL c C ? ? 1 +35369 O O A VAL W 272 0.4363 0.8852 0.8875 0.1312 0.0476 -0.0125 290 VAL c O ? ? 1 +35370 O O B VAL W 272 0.4365 0.8842 0.8866 0.1309 0.0474 -0.0126 290 VAL c O ? ? 1 +35371 C CB A VAL W 272 0.4494 0.8908 0.8840 0.1269 0.0541 -0.0147 290 VAL c CB ? ? 1 +35372 C CB B VAL W 272 0.4487 0.8903 0.8833 0.1264 0.0540 -0.0146 290 VAL c CB ? ? 1 +35373 C CG1 A VAL W 272 0.4397 0.8823 0.8758 0.1178 0.0502 -0.0129 290 VAL c CG1 ? ? 1 +35374 C CG1 B VAL W 272 0.4383 0.8816 0.8749 0.1173 0.0501 -0.0128 290 VAL c CG1 ? ? 1 +35375 C CG2 A VAL W 272 0.4640 0.8885 0.8859 0.1299 0.0518 -0.0166 290 VAL c CG2 ? ? 1 +35376 C CG2 B VAL W 272 0.4636 0.8880 0.8852 0.1292 0.0517 -0.0165 290 VAL c CG2 ? ? 1 +35377 N N A TRP W 273 0.4127 0.8821 0.8800 0.1223 0.0482 -0.0095 291 TRP c N ? ? 1 +35378 N N B TRP W 273 0.4117 0.8810 0.8791 0.1224 0.0482 -0.0095 291 TRP c N ? ? 1 +35379 C CA A TRP W 273 0.4032 0.8744 0.8765 0.1192 0.0433 -0.0079 291 TRP c CA ? ? 1 +35380 C CA B TRP W 273 0.4020 0.8729 0.8751 0.1193 0.0433 -0.0079 291 TRP c CA ? ? 1 +35381 C C A TRP W 273 0.3972 0.8781 0.8815 0.1249 0.0434 -0.0074 291 TRP c C ? ? 1 +35382 C C B TRP W 273 0.3955 0.8766 0.8801 0.1248 0.0433 -0.0074 291 TRP c C ? ? 1 +35383 O O A TRP W 273 0.3975 0.8742 0.8815 0.1255 0.0396 -0.0069 291 TRP c O ? ? 1 +35384 O O B TRP W 273 0.3953 0.8724 0.8799 0.1253 0.0395 -0.0068 291 TRP c O ? ? 1 +35385 C CB A TRP W 273 0.3891 0.8684 0.8696 0.1111 0.0414 -0.0057 291 TRP c CB ? ? 1 +35386 C CB B TRP W 273 0.3881 0.8664 0.8677 0.1110 0.0412 -0.0058 291 TRP c CB ? ? 1 +35387 C CG A TRP W 273 0.3826 0.8599 0.8653 0.1068 0.0361 -0.0043 291 TRP c CG ? ? 1 +35388 C CG B TRP W 273 0.3814 0.8576 0.8632 0.1066 0.0360 -0.0043 291 TRP c CG ? ? 1 +35389 C CD1 A TRP W 273 0.3691 0.8578 0.8643 0.1047 0.0341 -0.0023 291 TRP c CD1 ? ? 1 +35390 C CD1 B TRP W 273 0.3679 0.8555 0.8622 0.1045 0.0340 -0.0024 291 TRP c CD1 ? ? 1 +35391 C CD2 A TRP W 273 0.3899 0.8525 0.8619 0.1038 0.0323 -0.0048 291 TRP c CD2 ? ? 1 +35392 C CD2 B TRP W 273 0.3886 0.8501 0.8596 0.1037 0.0322 -0.0049 291 TRP c CD2 ? ? 1 +35393 N NE1 A TRP W 273 0.3676 0.8496 0.8603 0.1008 0.0295 -0.0014 291 TRP c NE1 ? ? 1 +35394 N NE1 B TRP W 273 0.3665 0.8471 0.8580 0.1006 0.0293 -0.0015 291 TRP c NE1 ? ? 1 +35395 C CE2 A TRP W 273 0.3802 0.8463 0.8589 0.1001 0.0284 -0.0030 291 TRP c CE2 ? ? 1 +35396 C CE2 B TRP W 273 0.3789 0.8438 0.8565 0.0999 0.0283 -0.0031 291 TRP c CE2 ? ? 1 +35397 C CE3 A TRP W 273 0.4040 0.8507 0.8612 0.1038 0.0319 -0.0068 291 TRP c CE3 ? ? 1 +35398 C CE3 B TRP W 273 0.4027 0.8483 0.8589 0.1036 0.0319 -0.0069 291 TRP c CE3 ? ? 1 +35399 C CZ2 A TRP W 273 0.3841 0.8386 0.8555 0.0963 0.0245 -0.0030 291 TRP c CZ2 ? ? 1 +35400 C CZ2 B TRP W 273 0.3829 0.8360 0.8531 0.0961 0.0245 -0.0031 291 TRP c CZ2 ? ? 1 +35401 C CZ3 A TRP W 273 0.4078 0.8431 0.8581 0.0998 0.0279 -0.0069 291 TRP c CZ3 ? ? 1 +35402 C CZ3 B TRP W 273 0.4065 0.8406 0.8557 0.0997 0.0278 -0.0070 291 TRP c CZ3 ? ? 1 +35403 C CH2 A TRP W 273 0.3980 0.8373 0.8555 0.0961 0.0244 -0.0049 291 TRP c CH2 ? ? 1 +35404 C CH2 B TRP W 273 0.3968 0.8348 0.8531 0.0959 0.0244 -0.0051 291 TRP c CH2 ? ? 1 +35405 N N A PHE W 274 0.3921 0.8861 0.8862 0.1289 0.0476 -0.0077 292 PHE c N ? ? 1 +35406 N N B PHE W 274 0.3903 0.8845 0.8846 0.1288 0.0475 -0.0076 292 PHE c N ? ? 1 +35407 C CA A PHE W 274 0.3848 0.8906 0.8914 0.1336 0.0474 -0.0073 292 PHE c CA ? ? 1 +35408 C CA B PHE W 274 0.3829 0.8892 0.8899 0.1335 0.0474 -0.0073 292 PHE c CA ? ? 1 +35409 C C A PHE W 274 0.3946 0.8998 0.8999 0.1432 0.0505 -0.0095 292 PHE c C ? ? 1 +35410 C C B PHE W 274 0.3924 0.8987 0.8986 0.1431 0.0507 -0.0095 292 PHE c C ? ? 1 +35411 O O A PHE W 274 0.3947 0.9021 0.9044 0.1484 0.0486 -0.0098 292 PHE c O ? ? 1 +35412 O O B PHE W 274 0.3913 0.9013 0.9031 0.1482 0.0490 -0.0097 292 PHE c O ? ? 1 +35413 C CB A PHE W 274 0.3701 0.8941 0.8920 0.1307 0.0494 -0.0060 292 PHE c CB ? ? 1 +35414 C CB B PHE W 274 0.3681 0.8924 0.8901 0.1305 0.0496 -0.0060 292 PHE c CB ? ? 1 +35415 C CG A PHE W 274 0.3571 0.8850 0.8841 0.1226 0.0457 -0.0036 292 PHE c CG ? ? 1 +35416 C CG B PHE W 274 0.3550 0.8831 0.8822 0.1226 0.0457 -0.0036 292 PHE c CG ? ? 1 +35417 C CD1 A PHE W 274 0.3500 0.8808 0.8831 0.1220 0.0412 -0.0024 292 PHE c CD1 ? ? 1 +35418 C CD1 B PHE W 274 0.3479 0.8789 0.8812 0.1222 0.0413 -0.0025 292 PHE c CD1 ? ? 1 +35419 C CD2 A PHE W 274 0.3530 0.8812 0.8783 0.1159 0.0465 -0.0026 292 PHE c CD2 ? ? 1 +35420 C CD2 B PHE W 274 0.3506 0.8790 0.8761 0.1157 0.0464 -0.0026 292 PHE c CD2 ? ? 1 +35421 C CE1 A PHE W 274 0.3391 0.8733 0.8768 0.1147 0.0379 -0.0004 292 PHE c CE1 ? ? 1 +35422 C CE1 B PHE W 274 0.3370 0.8713 0.8749 0.1150 0.0379 -0.0004 292 PHE c CE1 ? ? 1 +35423 C CE2 A PHE W 274 0.3420 0.8737 0.8720 0.1088 0.0430 -0.0006 292 PHE c CE2 ? ? 1 +35424 C CE2 B PHE W 274 0.3397 0.8714 0.8698 0.1087 0.0428 -0.0005 292 PHE c CE2 ? ? 1 +35425 C CZ A PHE W 274 0.3349 0.8697 0.8712 0.1082 0.0388 0.0005 292 PHE c CZ ? ? 1 +35426 C CZ B PHE W 274 0.3328 0.8676 0.8693 0.1083 0.0386 0.0006 292 PHE c CZ ? ? 1 +35427 N N A ASN W 275 0.4030 0.9054 0.9023 0.1457 0.0554 -0.0112 293 ASN c N ? ? 1 +35428 N N B ASN W 275 0.4017 0.9043 0.9012 0.1456 0.0554 -0.0112 293 ASN c N ? ? 1 +35429 C CA A ASN W 275 0.4113 0.9159 0.9114 0.1547 0.0593 -0.0133 293 ASN c CA ? ? 1 +35430 C CA B ASN W 275 0.4105 0.9151 0.9106 0.1547 0.0593 -0.0133 293 ASN c CA ? ? 1 +35431 C C A ASN W 275 0.4271 0.9143 0.9128 0.1599 0.0577 -0.0150 293 ASN c C ? ? 1 +35432 C C B ASN W 275 0.4266 0.9137 0.9123 0.1598 0.0576 -0.0149 293 ASN c C ? ? 1 +35433 O O A ASN W 275 0.4361 0.9085 0.9079 0.1569 0.0569 -0.0155 293 ASN c O ? ? 1 +35434 O O B ASN W 275 0.4353 0.9075 0.9071 0.1566 0.0565 -0.0154 293 ASN c O ? ? 1 +35435 C CB A ASN W 275 0.4136 0.9233 0.9140 0.1553 0.0657 -0.0143 293 ASN c CB ? ? 1 +35436 C CB B ASN W 275 0.4130 0.9222 0.9129 0.1554 0.0657 -0.0144 293 ASN c CB ? ? 1 +35437 C CG A ASN W 275 0.4196 0.9353 0.9242 0.1644 0.0702 -0.0165 293 ASN c CG ? ? 1 +35438 C CG B ASN W 275 0.4197 0.9336 0.9226 0.1647 0.0702 -0.0166 293 ASN c CG ? ? 1 +35439 O OD1 A ASN W 275 0.4331 0.9375 0.9274 0.1707 0.0708 -0.0184 293 ASN c OD1 ? ? 1 +35440 O OD1 B ASN W 275 0.4328 0.9347 0.9251 0.1706 0.0703 -0.0185 293 ASN c OD1 ? ? 1 +35441 N ND2 A ASN W 275 0.4100 0.9434 0.9298 0.1653 0.0736 -0.0163 293 ASN c ND2 ? ? 1 +35442 N ND2 B ASN W 275 0.4109 0.9423 0.9286 0.1662 0.0739 -0.0166 293 ASN c ND2 ? ? 1 +35443 N N . ASN W 276 0.4306 0.9197 0.9198 0.1678 0.0572 -0.0160 294 ASN c N ? ? 1 +35444 C CA . ASN W 276 0.4463 0.9189 0.9222 0.1737 0.0558 -0.0175 294 ASN c CA ? ? 1 +35445 C CB . ASN W 276 0.4447 0.9139 0.9217 0.1743 0.0501 -0.0163 294 ASN c CB ? ? 1 +35446 C CG . ASN W 276 0.4358 0.9211 0.9284 0.1791 0.0494 -0.0159 294 ASN c CG ? ? 1 +35447 O OD1 . ASN W 276 0.4311 0.9312 0.9349 0.1823 0.0533 -0.0167 294 ASN c OD1 ? ? 1 +35448 N ND2 . ASN W 276 0.4342 0.9168 0.9276 0.1795 0.0444 -0.0147 294 ASN c ND2 ? ? 1 +35449 C C . ASN W 276 0.4561 0.9305 0.9317 0.1836 0.0603 -0.0201 294 ASN c C ? ? 1 +35450 O O . ASN W 276 0.4676 0.9314 0.9353 0.1903 0.0591 -0.0214 294 ASN c O ? ? 1 +35451 N N . THR W 277 0.4516 0.9388 0.9355 0.1845 0.0657 -0.0208 295 THR c N ? ? 1 +35452 C CA . THR W 277 0.4600 0.9503 0.9444 0.1934 0.0709 -0.0233 295 THR c CA ? ? 1 +35453 C CB . THR W 277 0.4479 0.9604 0.9510 0.1950 0.0748 -0.0233 295 THR c CB ? ? 1 +35454 O OG1 . THR W 277 0.4366 0.9598 0.9525 0.1956 0.0705 -0.0222 295 THR c OG1 ? ? 1 +35455 C CG2 . THR W 277 0.4579 0.9749 0.9627 0.2043 0.0806 -0.0262 295 THR c CG2 ? ? 1 +35456 C C . THR W 277 0.4726 0.9508 0.9427 0.1932 0.0751 -0.0248 295 THR c C ? ? 1 +35457 O O . THR W 277 0.4891 0.9548 0.9478 0.1995 0.0761 -0.0269 295 THR c O ? ? 1 +35458 N N . VAL W 278 0.4674 0.9490 0.9378 0.1860 0.0774 -0.0239 296 VAL c N ? ? 1 +35459 C CA . VAL W 278 0.4801 0.9502 0.9364 0.1851 0.0810 -0.0252 296 VAL c CA ? ? 1 +35460 C CB . VAL W 278 0.4734 0.9553 0.9363 0.1811 0.0863 -0.0246 296 VAL c CB ? ? 1 +35461 C CG1 . VAL W 278 0.4688 0.9683 0.9465 0.1870 0.0916 -0.0255 296 VAL c CG1 ? ? 1 +35462 C CG2 . VAL W 278 0.4586 0.9468 0.9278 0.1713 0.0831 -0.0218 296 VAL c CG2 ? ? 1 +35463 C C . VAL W 278 0.4863 0.9384 0.9274 0.1790 0.0763 -0.0247 296 VAL c C ? ? 1 +35464 O O . VAL W 278 0.4970 0.9367 0.9243 0.1783 0.0780 -0.0261 296 VAL c O ? ? 1 +35465 N N . TYR W 279 0.4794 0.9305 0.9235 0.1744 0.0703 -0.0228 297 TYR c N ? ? 1 +35466 C CA . TYR W 279 0.4877 0.9212 0.9182 0.1703 0.0655 -0.0227 297 TYR c CA ? ? 1 +35467 C CB . TYR W 279 0.4772 0.9129 0.9100 0.1599 0.0621 -0.0205 297 TYR c CB ? ? 1 +35468 C CG . TYR W 279 0.4767 0.9162 0.9084 0.1556 0.0657 -0.0204 297 TYR c CG ? ? 1 +35469 C CD1 . TYR W 279 0.4899 0.9152 0.9063 0.1532 0.0660 -0.0218 297 TYR c CD1 ? ? 1 +35470 C CD2 . TYR W 279 0.4651 0.9220 0.9105 0.1542 0.0688 -0.0191 297 TYR c CD2 ? ? 1 +35471 C CE1 . TYR W 279 0.4904 0.9186 0.9048 0.1496 0.0691 -0.0218 297 TYR c CE1 ? ? 1 +35472 C CE2 . TYR W 279 0.4653 0.9250 0.9089 0.1504 0.0723 -0.0189 297 TYR c CE2 ? ? 1 +35473 C CZ . TYR W 279 0.4784 0.9236 0.9061 0.1483 0.0724 -0.0202 297 TYR c CZ ? ? 1 +35474 O OH . TYR W 279 0.4799 0.9272 0.9049 0.1448 0.0757 -0.0199 297 TYR c OH ? ? 1 +35475 C C . TYR W 279 0.4904 0.9190 0.9210 0.1749 0.0616 -0.0227 297 TYR c C ? ? 1 +35476 O O . TYR W 279 0.4800 0.9135 0.9180 0.1712 0.0574 -0.0206 297 TYR c O ? ? 1 +35477 N N . PRO W 280 0.5052 0.9241 0.9275 0.1834 0.0629 -0.0248 298 PRO c N ? ? 1 +35478 C CA . PRO W 280 0.5092 0.9229 0.9309 0.1885 0.0593 -0.0247 298 PRO c CA ? ? 1 +35479 C CB . PRO W 280 0.5272 0.9306 0.9387 0.1980 0.0624 -0.0275 298 PRO c CB ? ? 1 +35480 C CG . PRO W 280 0.5290 0.9386 0.9412 0.1990 0.0685 -0.0290 298 PRO c CG ? ? 1 +35481 C CD . PRO W 280 0.5194 0.9315 0.9321 0.1887 0.0680 -0.0275 298 PRO c CD ? ? 1 +35482 C C . PRO W 280 0.5108 0.9106 0.9237 0.1822 0.0537 -0.0235 298 PRO c C ? ? 1 +35483 O O . PRO W 280 0.5189 0.9051 0.9192 0.1774 0.0531 -0.0241 298 PRO c O ? ? 1 +35484 N N . SER W 281 0.5028 0.9063 0.9226 0.1824 0.0497 -0.0217 299 SER c N ? ? 1 +35485 C CA . SER W 281 0.5025 0.8941 0.9153 0.1765 0.0447 -0.0203 299 SER c CA ? ? 1 +35486 C CB . SER W 281 0.4893 0.8905 0.9136 0.1764 0.0411 -0.0181 299 SER c CB ? ? 1 +35487 O OG . SER W 281 0.4698 0.8897 0.9092 0.1717 0.0417 -0.0166 299 SER c OG ? ? 1 +35488 C C . SER W 281 0.5233 0.8929 0.9185 0.1800 0.0438 -0.0220 299 SER c C ? ? 1 +35489 O O . SER W 281 0.5281 0.8844 0.9138 0.1739 0.0408 -0.0216 299 SER c O ? ? 1 +35490 N N . GLU W 282 0.5362 0.9021 0.9272 0.1898 0.0465 -0.0241 300 GLU c N ? ? 1 +35491 C CA . GLU W 282 0.5571 0.9017 0.9305 0.1938 0.0464 -0.0260 300 GLU c CA ? ? 1 +35492 C CB . GLU W 282 0.5698 0.9144 0.9415 0.2056 0.0502 -0.0283 300 GLU c CB ? ? 1 +35493 C CG . GLU W 282 0.5663 0.9221 0.9492 0.2137 0.0493 -0.0276 300 GLU c CG ? ? 1 +35494 C CD . GLU W 282 0.5519 0.9316 0.9533 0.2157 0.0522 -0.0274 300 GLU c CD ? ? 1 +35495 O OE1 . GLU W 282 0.5369 0.9283 0.9476 0.2076 0.0521 -0.0258 300 GLU c OE1 ? ? 1 +35496 O OE2 . GLU W 282 0.5570 0.9440 0.9639 0.2252 0.0544 -0.0288 300 GLU c OE2 ? ? 1 +35497 C C . GLU W 282 0.5644 0.8961 0.9249 0.1875 0.0473 -0.0274 300 GLU c C ? ? 1 +35498 O O . GLU W 282 0.5783 0.8909 0.9241 0.1865 0.0455 -0.0283 300 GLU c O ? ? 1 +35499 N N . PHE W 283 0.5561 0.8981 0.9217 0.1837 0.0501 -0.0276 301 PHE c N ? ? 1 +35500 C CA . PHE W 283 0.5641 0.8953 0.9179 0.1783 0.0510 -0.0291 301 PHE c CA ? ? 1 +35501 C CB . PHE W 283 0.5666 0.9048 0.9214 0.1823 0.0566 -0.0308 301 PHE c CB ? ? 1 +35502 C CG . PHE W 283 0.5777 0.9153 0.9311 0.1938 0.0603 -0.0327 301 PHE c CG ? ? 1 +35503 C CD1 . PHE W 283 0.5946 0.9152 0.9357 0.1996 0.0591 -0.0342 301 PHE c CD1 ? ? 1 +35504 C CD2 . PHE W 283 0.5714 0.9249 0.9355 0.1988 0.0651 -0.0331 301 PHE c CD2 ? ? 1 +35505 C CE1 . PHE W 283 0.6049 0.9251 0.9447 0.2105 0.0624 -0.0360 301 PHE c CE1 ? ? 1 +35506 C CE2 . PHE W 283 0.5816 0.9352 0.9450 0.2094 0.0686 -0.0350 301 PHE c CE2 ? ? 1 +35507 C CZ . PHE W 283 0.5984 0.9354 0.9497 0.2154 0.0671 -0.0365 301 PHE c CZ ? ? 1 +35508 C C . PHE W 283 0.5529 0.8872 0.9098 0.1669 0.0479 -0.0274 301 PHE c C ? ? 1 +35509 O O . PHE W 283 0.5608 0.8812 0.9062 0.1611 0.0458 -0.0282 301 PHE c O ? ? 1 +35510 N N . TYR W 284 0.5347 0.8873 0.9074 0.1638 0.0476 -0.0251 302 TYR c N ? ? 1 +35511 C CA . TYR W 284 0.5216 0.8796 0.8989 0.1537 0.0451 -0.0233 302 TYR c CA ? ? 1 +35512 C CB . TYR W 284 0.5085 0.8865 0.9002 0.1529 0.0479 -0.0221 302 TYR c CB ? ? 1 +35513 C CG . TYR W 284 0.5171 0.8954 0.9040 0.1551 0.0528 -0.0239 302 TYR c CG ? ? 1 +35514 C CD1 . TYR W 284 0.5203 0.8930 0.8995 0.1487 0.0526 -0.0245 302 TYR c CD1 ? ? 1 +35515 C CD2 . TYR W 284 0.5224 0.9066 0.9123 0.1638 0.0576 -0.0252 302 TYR c CD2 ? ? 1 +35516 C CE1 . TYR W 284 0.5281 0.9005 0.9020 0.1508 0.0571 -0.0261 302 TYR c CE1 ? ? 1 +35517 C CE2 . TYR W 284 0.5297 0.9140 0.9149 0.1658 0.0625 -0.0268 302 TYR c CE2 ? ? 1 +35518 C CZ . TYR W 284 0.5334 0.9114 0.9101 0.1592 0.0622 -0.0272 302 TYR c CZ ? ? 1 +35519 O OH . TYR W 284 0.5428 0.9202 0.9138 0.1612 0.0670 -0.0288 302 TYR c OH ? ? 1 +35520 C C . TYR W 284 0.5114 0.8692 0.8932 0.1489 0.0402 -0.0211 302 TYR c C ? ? 1 +35521 O O . TYR W 284 0.5025 0.8631 0.8873 0.1404 0.0377 -0.0198 302 TYR c O ? ? 1 +35522 N N A GLY W 285 0.5147 0.8690 0.8967 0.1545 0.0389 -0.0208 303 GLY c N ? ? 1 +35523 N N B GLY W 285 0.5142 0.8684 0.8961 0.1546 0.0389 -0.0208 303 GLY c N ? ? 1 +35524 C CA A GLY W 285 0.5062 0.8616 0.8932 0.1512 0.0348 -0.0185 303 GLY c CA ? ? 1 +35525 C CA B GLY W 285 0.5054 0.8603 0.8920 0.1513 0.0347 -0.0186 303 GLY c CA ? ? 1 +35526 C C A GLY W 285 0.4871 0.8631 0.8920 0.1516 0.0347 -0.0164 303 GLY c C ? ? 1 +35527 C C B GLY W 285 0.4859 0.8614 0.8904 0.1517 0.0346 -0.0164 303 GLY c C ? ? 1 +35528 O O A GLY W 285 0.4792 0.8690 0.8929 0.1526 0.0377 -0.0164 303 GLY c O ? ? 1 +35529 O O B GLY W 285 0.4782 0.8676 0.8917 0.1531 0.0377 -0.0165 303 GLY c O ? ? 1 +35530 N N A PRO W 286 0.4792 0.8578 0.8897 0.1504 0.0312 -0.0143 304 PRO c N ? ? 1 +35531 N N B PRO W 286 0.4774 0.8554 0.8875 0.1503 0.0311 -0.0143 304 PRO c N ? ? 1 +35532 C CA A PRO W 286 0.4623 0.8601 0.8896 0.1510 0.0308 -0.0125 304 PRO c CA ? ? 1 +35533 C CA B PRO W 286 0.4603 0.8573 0.8870 0.1508 0.0306 -0.0124 304 PRO c CA ? ? 1 +35534 C C A PRO W 286 0.4464 0.8563 0.8827 0.1426 0.0308 -0.0111 304 PRO c C ? ? 1 +35535 C C B PRO W 286 0.4441 0.8535 0.8801 0.1425 0.0307 -0.0111 304 PRO c C ? ? 1 +35536 O O A PRO W 286 0.4475 0.8501 0.8774 0.1352 0.0296 -0.0111 304 PRO c O ? ? 1 +35537 O O B PRO W 286 0.4446 0.8471 0.8747 0.1350 0.0293 -0.0110 304 PRO c O ? ? 1 +35538 C CB A PRO W 286 0.4623 0.8553 0.8893 0.1510 0.0267 -0.0108 304 PRO c CB ? ? 1 +35539 C CB B PRO W 286 0.4603 0.8524 0.8867 0.1506 0.0265 -0.0108 304 PRO c CB ? ? 1 +35540 C CG A PRO W 286 0.4727 0.8469 0.8855 0.1454 0.0247 -0.0112 304 PRO c CG ? ? 1 +35541 C CG B PRO W 286 0.4707 0.8440 0.8828 0.1448 0.0246 -0.0112 304 PRO c CG ? ? 1 +35542 C CD A PRO W 286 0.4872 0.8503 0.8881 0.1480 0.0276 -0.0138 304 PRO c CD ? ? 1 +35543 C CD B PRO W 286 0.4853 0.8477 0.8857 0.1476 0.0275 -0.0138 304 PRO c CD ? ? 1 +35544 N N A THR W 287 0.4322 0.8605 0.8833 0.1438 0.0322 -0.0102 305 THR c N ? ? 1 +35545 N N B THR W 287 0.4299 0.8578 0.8806 0.1440 0.0322 -0.0102 305 THR c N ? ? 1 +35546 C CA A THR W 287 0.4162 0.8568 0.8771 0.1361 0.0319 -0.0085 305 THR c CA ? ? 1 +35547 C CA B THR W 287 0.4136 0.8540 0.8743 0.1365 0.0319 -0.0086 305 THR c CA ? ? 1 +35548 C C A THR W 287 0.4081 0.8479 0.8717 0.1303 0.0272 -0.0064 305 THR c C ? ? 1 +35549 C C B THR W 287 0.4055 0.8448 0.8686 0.1303 0.0273 -0.0065 305 THR c C ? ? 1 +35550 O O A THR W 287 0.4142 0.8459 0.8736 0.1329 0.0247 -0.0061 305 THR c O ? ? 1 +35551 O O B THR W 287 0.4125 0.8423 0.8702 0.1324 0.0247 -0.0062 305 THR c O ? ? 1 +35552 C CB A THR W 287 0.4047 0.8646 0.8805 0.1392 0.0348 -0.0082 305 THR c CB ? ? 1 +35553 C CB B THR W 287 0.4018 0.8616 0.8777 0.1396 0.0347 -0.0082 305 THR c CB ? ? 1 +35554 O OG1 A THR W 287 0.3988 0.8664 0.8837 0.1431 0.0327 -0.0073 305 THR c OG1 ? ? 1 +35555 O OG1 B THR W 287 0.3964 0.8631 0.8808 0.1437 0.0325 -0.0073 305 THR c OG1 ? ? 1 +35556 C CG2 A THR W 287 0.4133 0.8740 0.8867 0.1457 0.0398 -0.0104 305 THR c CG2 ? ? 1 +35557 C CG2 B THR W 287 0.4098 0.8712 0.8838 0.1460 0.0398 -0.0103 305 THR c CG2 ? ? 1 +35558 N N A GLY W 288 0.3948 0.8425 0.8650 0.1225 0.0263 -0.0049 306 GLY c N ? ? 1 +35559 N N B GLY W 288 0.3914 0.8397 0.8620 0.1229 0.0265 -0.0049 306 GLY c N ? ? 1 +35560 C CA A GLY W 288 0.3847 0.8349 0.8600 0.1170 0.0224 -0.0028 306 GLY c CA ? ? 1 +35561 C CA B GLY W 288 0.3816 0.8318 0.8568 0.1173 0.0225 -0.0029 306 GLY c CA ? ? 1 +35562 C C A GLY W 288 0.3775 0.8376 0.8631 0.1217 0.0212 -0.0017 306 GLY c C ? ? 1 +35563 C C B GLY W 288 0.3744 0.8343 0.8598 0.1219 0.0212 -0.0017 306 GLY c C ? ? 1 +35564 O O A GLY W 288 0.3797 0.8337 0.8628 0.1222 0.0181 -0.0008 306 GLY c O ? ? 1 +35565 O O B GLY W 288 0.3770 0.8304 0.8596 0.1226 0.0182 -0.0009 306 GLY c O ? ? 1 +35566 N N A PRO W 289 0.3685 0.8445 0.8662 0.1251 0.0235 -0.0017 307 PRO c N ? ? 1 +35567 N N B PRO W 289 0.3649 0.8410 0.8627 0.1251 0.0235 -0.0017 307 PRO c N ? ? 1 +35568 C CA A PRO W 289 0.3632 0.8489 0.8707 0.1305 0.0223 -0.0012 307 PRO c CA ? ? 1 +35569 C CA B PRO W 289 0.3595 0.8454 0.8672 0.1305 0.0223 -0.0011 307 PRO c CA ? ? 1 +35570 C C A PRO W 289 0.3763 0.8513 0.8757 0.1385 0.0213 -0.0022 307 PRO c C ? ? 1 +35571 C C B PRO W 289 0.3725 0.8480 0.8724 0.1386 0.0213 -0.0022 307 PRO c C ? ? 1 +35572 O O A PRO W 289 0.3757 0.8505 0.8771 0.1406 0.0181 -0.0013 307 PRO c O ? ? 1 +35573 O O B PRO W 289 0.3716 0.8473 0.8738 0.1408 0.0182 -0.0012 307 PRO c O ? ? 1 +35574 C CB A PRO W 289 0.3563 0.8581 0.8753 0.1333 0.0262 -0.0019 307 PRO c CB ? ? 1 +35575 C CB B PRO W 289 0.3525 0.8545 0.8717 0.1332 0.0262 -0.0019 307 PRO c CB ? ? 1 +35576 C CG A PRO W 289 0.3515 0.8548 0.8697 0.1261 0.0282 -0.0015 307 PRO c CG ? ? 1 +35577 C CG B PRO W 289 0.3475 0.8512 0.8661 0.1259 0.0282 -0.0015 307 PRO c CG ? ? 1 +35578 C CD A PRO W 289 0.3635 0.8487 0.8660 0.1237 0.0274 -0.0022 307 PRO c CD ? ? 1 +35579 C CD B PRO W 289 0.3590 0.8447 0.8620 0.1231 0.0272 -0.0021 307 PRO c CD ? ? 1 +35580 N N A GLU W 290 0.3891 0.8546 0.8788 0.1430 0.0240 -0.0042 308 GLU c N ? ? 1 +35581 N N B GLU W 290 0.3855 0.8514 0.8756 0.1432 0.0240 -0.0042 308 GLU c N ? ? 1 +35582 C CA A GLU W 290 0.4030 0.8579 0.8845 0.1514 0.0235 -0.0054 308 GLU c CA ? ? 1 +35583 C CA B GLU W 290 0.3995 0.8546 0.8812 0.1514 0.0234 -0.0054 308 GLU c CA ? ? 1 +35584 C C A GLU W 290 0.4100 0.8490 0.8807 0.1491 0.0197 -0.0044 308 GLU c C ? ? 1 +35585 C C B GLU W 290 0.4065 0.8455 0.8773 0.1491 0.0196 -0.0044 308 GLU c C ? ? 1 +35586 O O A GLU W 290 0.4134 0.8500 0.8838 0.1541 0.0172 -0.0039 308 GLU c O ? ? 1 +35587 O O B GLU W 290 0.4097 0.8463 0.8802 0.1539 0.0171 -0.0039 308 GLU c O ? ? 1 +35588 C CB A GLU W 290 0.4160 0.8627 0.8880 0.1555 0.0273 -0.0078 308 GLU c CB ? ? 1 +35589 C CB B GLU W 290 0.4127 0.8597 0.8850 0.1555 0.0272 -0.0078 308 GLU c CB ? ? 1 +35590 C CG A GLU W 290 0.4319 0.8676 0.8951 0.1648 0.0273 -0.0093 308 GLU c CG ? ? 1 +35591 C CG B GLU W 290 0.4290 0.8642 0.8919 0.1646 0.0272 -0.0093 308 GLU c CG ? ? 1 +35592 C CD A GLU W 290 0.4412 0.8764 0.9011 0.1709 0.0319 -0.0118 308 GLU c CD ? ? 1 +35593 C CD B GLU W 290 0.4387 0.8726 0.8976 0.1703 0.0318 -0.0118 308 GLU c CD ? ? 1 +35594 O OE1 A GLU W 290 0.4439 0.8747 0.8980 0.1668 0.0344 -0.0126 308 GLU c OE1 ? ? 1 +35595 O OE1 B GLU W 290 0.4388 0.8712 0.8942 0.1657 0.0344 -0.0124 308 GLU c OE1 ? ? 1 +35596 O OE2 A GLU W 290 0.4466 0.8858 0.9097 0.1801 0.0330 -0.0130 308 GLU c OE2 ? ? 1 +35597 O OE2 B GLU W 290 0.4471 0.8816 0.9063 0.1797 0.0328 -0.0131 308 GLU c OE2 ? ? 1 +35598 N N A ALA W 291 0.4124 0.8406 0.8743 0.1416 0.0191 -0.0042 309 ALA c N ? ? 1 +35599 N N B ALA W 291 0.4088 0.8371 0.8708 0.1415 0.0191 -0.0042 309 ALA c N ? ? 1 +35600 C CA A ALA W 291 0.4198 0.8321 0.8710 0.1385 0.0161 -0.0035 309 ALA c CA ? ? 1 +35601 C CA B ALA W 291 0.4157 0.8284 0.8672 0.1380 0.0160 -0.0034 309 ALA c CA ? ? 1 +35602 C C A ALA W 291 0.4091 0.8278 0.8680 0.1359 0.0127 -0.0011 309 ALA c C ? ? 1 +35603 C C B ALA W 291 0.4047 0.8236 0.8638 0.1350 0.0126 -0.0010 309 ALA c C ? ? 1 +35604 O O A ALA W 291 0.4166 0.8258 0.8695 0.1386 0.0104 -0.0004 309 ALA c O ? ? 1 +35605 O O B ALA W 291 0.4120 0.8208 0.8647 0.1369 0.0102 -0.0003 309 ALA c O ? ? 1 +35606 C CB A ALA W 291 0.4224 0.8251 0.8653 0.1302 0.0162 -0.0039 309 ALA c CB ? ? 1 +35607 C CB B ALA W 291 0.4181 0.8215 0.8615 0.1298 0.0163 -0.0038 309 ALA c CB ? ? 1 +35608 N N A SER W 292 0.3921 0.8266 0.8640 0.1310 0.0124 0.0001 310 SER c N ? ? 1 +35609 N N B SER W 292 0.3878 0.8229 0.8602 0.1304 0.0124 0.0002 310 SER c N ? ? 1 +35610 C CA A SER W 292 0.3810 0.8233 0.8613 0.1284 0.0094 0.0023 310 SER c CA ? ? 1 +35611 C CA B SER W 292 0.3767 0.8199 0.8577 0.1279 0.0094 0.0023 310 SER c CA ? ? 1 +35612 C C A SER W 292 0.3833 0.8300 0.8679 0.1370 0.0080 0.0024 310 SER c C ? ? 1 +35613 C C B SER W 292 0.3797 0.8266 0.8644 0.1366 0.0080 0.0024 310 SER c C ? ? 1 +35614 O O A SER W 292 0.3865 0.8269 0.8677 0.1376 0.0050 0.0036 310 SER c O ? ? 1 +35615 O O B SER W 292 0.3829 0.8234 0.8641 0.1371 0.0051 0.0037 310 SER c O ? ? 1 +35616 C CB A SER W 292 0.3635 0.8226 0.8572 0.1225 0.0100 0.0032 310 SER c CB ? ? 1 +35617 C CB B SER W 292 0.3592 0.8195 0.8538 0.1225 0.0101 0.0032 310 SER c CB ? ? 1 +35618 O OG A SER W 292 0.3529 0.8194 0.8546 0.1197 0.0070 0.0052 310 SER c OG ? ? 1 +35619 O OG B SER W 292 0.3488 0.8170 0.8517 0.1200 0.0072 0.0052 310 SER c OG ? ? 1 +35620 N N A GLN W 293 0.3822 0.8397 0.8741 0.1436 0.0102 0.0011 311 GLN c N ? ? 1 +35621 N N B GLN W 293 0.3790 0.8365 0.8708 0.1434 0.0102 0.0011 311 GLN c N ? ? 1 +35622 C CA A GLN W 293 0.3851 0.8477 0.8815 0.1526 0.0089 0.0007 311 GLN c CA ? ? 1 +35623 C CA B GLN W 293 0.3818 0.8444 0.8782 0.1523 0.0089 0.0007 311 GLN c CA ? ? 1 +35624 C C A GLN W 293 0.4031 0.8474 0.8850 0.1584 0.0075 0.0003 311 GLN c C ? ? 1 +35625 C C B GLN W 293 0.4001 0.8445 0.8821 0.1583 0.0076 0.0002 311 GLN c C ? ? 1 +35626 O O A GLN W 293 0.4061 0.8488 0.8878 0.1628 0.0045 0.0010 311 GLN c O ? ? 1 +35627 O O B GLN W 293 0.4030 0.8462 0.8851 0.1629 0.0046 0.0010 311 GLN c O ? ? 1 +35628 C CB A GLN W 293 0.3830 0.8585 0.8881 0.1588 0.0123 -0.0013 311 GLN c CB ? ? 1 +35629 C CB B GLN W 293 0.3790 0.8552 0.8848 0.1582 0.0122 -0.0011 311 GLN c CB ? ? 1 +35630 C CG A GLN W 293 0.3657 0.8606 0.8864 0.1542 0.0139 -0.0008 311 GLN c CG ? ? 1 +35631 C CG B GLN W 293 0.3616 0.8571 0.8830 0.1533 0.0136 -0.0006 311 GLN c CG ? ? 1 +35632 C CD A GLN W 293 0.3549 0.8641 0.8888 0.1558 0.0112 0.0001 311 GLN c CD ? ? 1 +35633 C CD B GLN W 293 0.3512 0.8605 0.8853 0.1550 0.0108 0.0003 311 GLN c CD ? ? 1 +35634 O OE1 A GLN W 293 0.3571 0.8733 0.8966 0.1638 0.0109 -0.0011 311 GLN c OE1 ? ? 1 +35635 O OE1 B GLN W 293 0.3521 0.8701 0.8932 0.1627 0.0109 -0.0009 311 GLN c OE1 ? ? 1 +35636 N NE2 A GLN W 293 0.3436 0.8574 0.8825 0.1484 0.0090 0.0020 311 GLN c NE2 ? ? 1 +35637 N NE2 B GLN W 293 0.3417 0.8535 0.8794 0.1481 0.0081 0.0023 311 GLN c NE2 ? ? 1 +35638 N N A ALA W 294 0.4162 0.8460 0.8854 0.1584 0.0096 -0.0010 312 ALA c N ? ? 1 +35639 N N B ALA W 294 0.4132 0.8432 0.8825 0.1584 0.0097 -0.0011 312 ALA c N ? ? 1 +35640 C CA A ALA W 294 0.4352 0.8459 0.8893 0.1637 0.0088 -0.0017 312 ALA c CA ? ? 1 +35641 C CA B ALA W 294 0.4322 0.8429 0.8863 0.1634 0.0088 -0.0016 312 ALA c CA ? ? 1 +35642 C C A ALA W 294 0.4396 0.8378 0.8857 0.1596 0.0055 0.0003 312 ALA c C ? ? 1 +35643 C C B ALA W 294 0.4359 0.8351 0.8829 0.1595 0.0053 0.0004 312 ALA c C ? ? 1 +35644 O O A ALA W 294 0.4529 0.8385 0.8894 0.1652 0.0039 0.0004 312 ALA c O ? ? 1 +35645 O O B ALA W 294 0.4478 0.8364 0.8868 0.1656 0.0036 0.0006 312 ALA c O ? ? 1 +35646 C CB A ALA W 294 0.4468 0.8451 0.8893 0.1631 0.0119 -0.0035 312 ALA c CB ? ? 1 +35647 C CB B ALA W 294 0.4439 0.8413 0.8859 0.1621 0.0117 -0.0034 312 ALA c CB ? ? 1 +35648 N N A GLN W 295 0.4293 0.8305 0.8790 0.1498 0.0045 0.0018 313 GLN c N ? ? 1 +35649 N N B GLN W 295 0.4266 0.8275 0.8760 0.1496 0.0045 0.0019 313 GLN c N ? ? 1 +35650 C CA A GLN W 295 0.4324 0.8234 0.8759 0.1454 0.0017 0.0037 313 GLN c CA ? ? 1 +35651 C CA B GLN W 295 0.4293 0.8204 0.8729 0.1453 0.0016 0.0038 313 GLN c CA ? ? 1 +35652 C C A GLN W 295 0.4290 0.8275 0.8793 0.1502 -0.0013 0.0051 313 GLN c C ? ? 1 +35653 C C B GLN W 295 0.4258 0.8248 0.8764 0.1502 -0.0014 0.0052 313 GLN c C ? ? 1 +35654 O O A GLN W 295 0.4397 0.8258 0.8808 0.1531 -0.0034 0.0061 313 GLN c O ? ? 1 +35655 O O B GLN W 295 0.4367 0.8234 0.8783 0.1533 -0.0034 0.0061 313 GLN c O ? ? 1 +35656 C CB A GLN W 295 0.4207 0.8145 0.8675 0.1340 0.0014 0.0049 313 GLN c CB ? ? 1 +35657 C CB B GLN W 295 0.4175 0.8113 0.8644 0.1339 0.0013 0.0050 313 GLN c CB ? ? 1 +35658 C CG A GLN W 295 0.4215 0.8070 0.8638 0.1296 -0.0013 0.0069 313 GLN c CG ? ? 1 +35659 C CG B GLN W 295 0.4184 0.8037 0.8607 0.1294 -0.0014 0.0070 313 GLN c CG ? ? 1 +35660 C CD A GLN W 295 0.4136 0.7984 0.8566 0.1184 -0.0013 0.0077 313 GLN c CD ? ? 1 +35661 C CD B GLN W 295 0.4103 0.7949 0.8533 0.1182 -0.0015 0.0078 313 GLN c CD ? ? 1 +35662 O OE1 A GLN W 295 0.4227 0.7921 0.8547 0.1139 -0.0015 0.0078 313 GLN c OE1 ? ? 1 +35663 O OE1 B GLN W 295 0.4188 0.7884 0.8511 0.1136 -0.0018 0.0081 313 GLN c OE1 ? ? 1 +35664 N NE2 A GLN W 295 0.3965 0.7977 0.8524 0.1138 -0.0012 0.0082 313 GLN c NE2 ? ? 1 +35665 N NE2 B GLN W 295 0.3935 0.7943 0.8491 0.1135 -0.0012 0.0082 313 GLN c NE2 ? ? 1 +35666 N N A ALA W 296 0.4154 0.8339 0.8813 0.1511 -0.0015 0.0053 314 ALA c N ? ? 1 +35667 N N B ALA W 296 0.4120 0.8309 0.8783 0.1507 -0.0016 0.0054 314 ALA c N ? ? 1 +35668 C CA A ALA W 296 0.4116 0.8391 0.8852 0.1558 -0.0045 0.0063 314 ALA c CA ? ? 1 +35669 C CA B ALA W 296 0.4083 0.8366 0.8825 0.1554 -0.0046 0.0064 314 ALA c CA ? ? 1 +35670 C C A ALA W 296 0.4273 0.8476 0.8943 0.1670 -0.0055 0.0053 314 ALA c C ? ? 1 +35671 C C B ALA W 296 0.4241 0.8456 0.8921 0.1667 -0.0055 0.0053 314 ALA c C ? ? 1 +35672 O O A ALA W 296 0.4339 0.8481 0.8965 0.1705 -0.0086 0.0064 314 ALA c O ? ? 1 +35673 O O B ALA W 296 0.4299 0.8468 0.8947 0.1704 -0.0087 0.0064 314 ALA c O ? ? 1 +35674 C CB A ALA W 296 0.3941 0.8444 0.8857 0.1550 -0.0041 0.0061 314 ALA c CB ? ? 1 +35675 C CB B ALA W 296 0.3907 0.8416 0.8829 0.1544 -0.0041 0.0061 314 ALA c CB ? ? 1 +35676 N N A MET W 297 0.4345 0.8552 0.9005 0.1727 -0.0027 0.0031 315 MET c N ? ? 1 +35677 N N B MET W 297 0.4324 0.8529 0.8982 0.1723 -0.0027 0.0032 315 MET c N ? ? 1 +35678 C CA A MET W 297 0.4497 0.8637 0.9095 0.1839 -0.0031 0.0017 315 MET c CA ? ? 1 +35679 C CA B MET W 297 0.4477 0.8618 0.9075 0.1835 -0.0032 0.0018 315 MET c CA ? ? 1 +35680 C C A MET W 297 0.4677 0.8579 0.9089 0.1852 -0.0045 0.0025 315 MET c C ? ? 1 +35681 C C B MET W 297 0.4659 0.8561 0.9071 0.1848 -0.0045 0.0026 315 MET c C ? ? 1 +35682 O O A MET W 297 0.4773 0.8612 0.9133 0.1928 -0.0070 0.0028 315 MET c O ? ? 1 +35683 O O B MET W 297 0.4752 0.8593 0.9114 0.1924 -0.0070 0.0029 315 MET c O ? ? 1 +35684 C CB A MET W 297 0.4539 0.8714 0.9149 0.1880 0.0009 -0.0008 315 MET c CB ? ? 1 +35685 C CB B MET W 297 0.4516 0.8698 0.9131 0.1877 0.0008 -0.0007 315 MET c CB ? ? 1 +35686 C CG A MET W 297 0.4735 0.8787 0.9236 0.1985 0.0013 -0.0024 315 MET c CG ? ? 1 +35687 C CG B MET W 297 0.4704 0.8783 0.9227 0.1987 0.0013 -0.0025 315 MET c CG ? ? 1 +35688 S SD A MET W 297 0.4724 0.8952 0.9356 0.2107 0.0012 -0.0044 315 MET c SD ? ? 1 +35689 S SD B MET W 297 0.4677 0.8952 0.9347 0.2101 0.0014 -0.0045 315 MET c SD ? ? 1 +35690 C CE A MET W 297 0.4615 0.8955 0.9350 0.2103 -0.0040 -0.0024 315 MET c CE ? ? 1 +35691 C CE B MET W 297 0.4592 0.8953 0.9344 0.2106 -0.0041 -0.0025 315 MET c CE ? ? 1 +35692 N N A THR W 298 0.4726 0.8494 0.9036 0.1776 -0.0028 0.0027 316 THR c N ? ? 1 +35693 N N B THR W 298 0.4709 0.8478 0.9020 0.1773 -0.0027 0.0028 316 THR c N ? ? 1 +35694 C CA A THR W 298 0.4903 0.8438 0.9034 0.1776 -0.0034 0.0033 316 THR c CA ? ? 1 +35695 C CA B THR W 298 0.4886 0.8420 0.9017 0.1770 -0.0033 0.0033 316 THR c CA ? ? 1 +35696 C C A THR W 298 0.4916 0.8397 0.9016 0.1770 -0.0069 0.0057 316 THR c C ? ? 1 +35697 C C B THR W 298 0.4902 0.8374 0.8997 0.1756 -0.0067 0.0058 316 THR c C ? ? 1 +35698 O O A THR W 298 0.5073 0.8410 0.9057 0.1832 -0.0083 0.0060 316 THR c O ? ? 1 +35699 O O B THR W 298 0.5066 0.8370 0.9028 0.1804 -0.0079 0.0062 316 THR c O ? ? 1 +35700 C CB A THR W 298 0.4925 0.8357 0.8980 0.1682 -0.0010 0.0029 316 THR c CB ? ? 1 +35701 C CB B THR W 298 0.4906 0.8341 0.8964 0.1677 -0.0009 0.0029 316 THR c CB ? ? 1 +35702 O OG1 A THR W 298 0.4952 0.8400 0.9004 0.1708 0.0021 0.0005 316 THR c OG1 ? ? 1 +35703 O OG1 B THR W 298 0.4929 0.8388 0.8989 0.1705 0.0023 0.0005 316 THR c OG1 ? ? 1 +35704 C CG2 A THR W 298 0.5097 0.8290 0.8975 0.1660 -0.0016 0.0036 316 THR c CG2 ? ? 1 +35705 C CG2 B THR W 298 0.5083 0.8275 0.8960 0.1656 -0.0013 0.0034 316 THR c CG2 ? ? 1 +35706 N N A PHE W 299 0.4756 0.8351 0.8956 0.1695 -0.0082 0.0073 317 PHE c N ? ? 1 +35707 N N B PHE W 299 0.4741 0.8341 0.8946 0.1691 -0.0082 0.0074 317 PHE c N ? ? 1 +35708 C CA A PHE W 299 0.4762 0.8308 0.8933 0.1677 -0.0113 0.0097 317 PHE c CA ? ? 1 +35709 C CA B PHE W 299 0.4752 0.8301 0.8926 0.1674 -0.0112 0.0097 317 PHE c CA ? ? 1 +35710 C C A PHE W 299 0.4729 0.8382 0.8977 0.1761 -0.0145 0.0101 317 PHE c C ? ? 1 +35711 C C B PHE W 299 0.4727 0.8379 0.8974 0.1760 -0.0144 0.0101 317 PHE c C ? ? 1 +35712 O O A PHE W 299 0.4802 0.8371 0.8983 0.1782 -0.0172 0.0117 317 PHE c O ? ? 1 +35713 O O B PHE W 299 0.4808 0.8371 0.8984 0.1783 -0.0171 0.0117 317 PHE c O ? ? 1 +35714 C CB A PHE W 299 0.4620 0.8231 0.8857 0.1560 -0.0112 0.0111 317 PHE c CB ? ? 1 +35715 C CB B PHE W 299 0.4613 0.8225 0.8851 0.1558 -0.0112 0.0112 317 PHE c CB ? ? 1 +35716 C CG A PHE W 299 0.4703 0.8151 0.8822 0.1482 -0.0091 0.0111 317 PHE c CG ? ? 1 +35717 C CG B PHE W 299 0.4697 0.8146 0.8817 0.1479 -0.0092 0.0112 317 PHE c CG ? ? 1 +35718 C CD1 A PHE W 299 0.4835 0.8096 0.8818 0.1462 -0.0099 0.0124 317 PHE c CD1 ? ? 1 +35719 C CD1 B PHE W 299 0.4836 0.8094 0.8816 0.1462 -0.0099 0.0124 317 PHE c CD1 ? ? 1 +35720 C CD2 A PHE W 299 0.4661 0.8135 0.8800 0.1432 -0.0064 0.0095 317 PHE c CD2 ? ? 1 +35721 C CD2 B PHE W 299 0.4649 0.8129 0.8793 0.1426 -0.0065 0.0097 317 PHE c CD2 ? ? 1 +35722 C CE1 A PHE W 299 0.4914 0.8028 0.8793 0.1389 -0.0079 0.0121 317 PHE c CE1 ? ? 1 +35723 C CE1 B PHE W 299 0.4915 0.8027 0.8793 0.1388 -0.0079 0.0121 317 PHE c CE1 ? ? 1 +35724 C CE2 A PHE W 299 0.4742 0.8068 0.8774 0.1362 -0.0049 0.0092 317 PHE c CE2 ? ? 1 +35725 C CE2 B PHE W 299 0.4731 0.8064 0.8769 0.1355 -0.0050 0.0093 317 PHE c CE2 ? ? 1 +35726 C CZ A PHE W 299 0.4866 0.8016 0.8773 0.1339 -0.0056 0.0104 317 PHE c CZ ? ? 1 +35727 C CZ B PHE W 299 0.4861 0.8013 0.8770 0.1335 -0.0057 0.0105 317 PHE c CZ ? ? 1 +35728 N N . LEU W 300 0.4628 0.8463 0.9011 0.1808 -0.0141 0.0085 318 LEU c N ? ? 1 +35729 C CA . LEU W 300 0.4620 0.8553 0.9072 0.1903 -0.0171 0.0082 318 LEU c CA ? ? 1 +35730 C CB . LEU W 300 0.4493 0.8647 0.9115 0.1933 -0.0158 0.0062 318 LEU c CB ? ? 1 +35731 C CG . LEU W 300 0.4471 0.8760 0.9194 0.2025 -0.0190 0.0055 318 LEU c CG ? ? 1 +35732 C CD1 . LEU W 300 0.4299 0.8827 0.9214 0.2016 -0.0178 0.0041 318 LEU c CD1 ? ? 1 +35733 C CD2 . LEU W 300 0.4640 0.8845 0.9283 0.2143 -0.0194 0.0039 318 LEU c CD2 ? ? 1 +35734 C C . LEU W 300 0.4822 0.8583 0.9127 0.2001 -0.0180 0.0076 318 LEU c C ? ? 1 +35735 O O . LEU W 300 0.4906 0.8613 0.9163 0.2054 -0.0214 0.0087 318 LEU c O ? ? 1 +35736 N N . ILE W 301 0.4917 0.8581 0.9140 0.2025 -0.0148 0.0059 319 ILE c N ? ? 1 +35737 C CA . ILE W 301 0.5116 0.8610 0.9196 0.2120 -0.0153 0.0052 319 ILE c CA ? ? 1 +35738 C CB . ILE W 301 0.5202 0.8631 0.9225 0.2139 -0.0113 0.0029 319 ILE c CB ? ? 1 +35739 C CG1 . ILE W 301 0.5092 0.8730 0.9271 0.2184 -0.0095 0.0006 319 ILE c CG1 ? ? 1 +35740 C CG2 . ILE W 301 0.5440 0.8654 0.9286 0.2225 -0.0115 0.0024 319 ILE c CG2 ? ? 1 +35741 C CD1 . ILE W 301 0.5136 0.8735 0.9278 0.2175 -0.0052 -0.0014 319 ILE c CD1 ? ? 1 +35742 C C . ILE W 301 0.5255 0.8525 0.9163 0.2099 -0.0169 0.0073 319 ILE c C ? ? 1 +35743 O O . ILE W 301 0.5382 0.8558 0.9207 0.2182 -0.0195 0.0079 319 ILE c O ? ? 1 +35744 N N . ARG W 302 0.5238 0.8419 0.9090 0.1990 -0.0151 0.0085 320 ARG c N ? ? 1 +35745 C CA . ARG W 302 0.5367 0.8336 0.9060 0.1957 -0.0158 0.0104 320 ARG c CA ? ? 1 +35746 C CB . ARG W 302 0.5311 0.8228 0.8981 0.1826 -0.0136 0.0112 320 ARG c CB ? ? 1 +35747 C CG . ARG W 302 0.5479 0.8157 0.8971 0.1793 -0.0135 0.0128 320 ARG c CG ? ? 1 +35748 C CD . ARG W 302 0.5402 0.8061 0.8900 0.1664 -0.0122 0.0139 320 ARG c CD ? ? 1 +35749 N NE . ARG W 302 0.5248 0.8046 0.8857 0.1627 -0.0145 0.0159 320 ARG c NE ? ? 1 +35750 C CZ . ARG W 302 0.5171 0.7964 0.8793 0.1522 -0.0140 0.0173 320 ARG c CZ ? ? 1 +35751 N NH1 . ARG W 302 0.5256 0.7894 0.8773 0.1447 -0.0117 0.0172 320 ARG c NH1 ? ? 1 +35752 N NH2 . ARG W 302 0.5009 0.7954 0.8751 0.1494 -0.0159 0.0187 320 ARG c NH2 ? ? 1 +35753 C C . ARG W 302 0.5345 0.8341 0.9055 0.1981 -0.0198 0.0126 320 ARG c C ? ? 1 +35754 O O . ARG W 302 0.5511 0.8349 0.9089 0.2038 -0.0216 0.0136 320 ARG c O ? ? 1 +35755 N N . ASP W 303 0.5147 0.8341 0.9016 0.1938 -0.0211 0.0132 321 ASP c N ? ? 1 +35756 C CA . ASP W 303 0.5114 0.8336 0.9002 0.1939 -0.0247 0.0153 321 ASP c CA ? ? 1 +35757 C CB . ASP W 303 0.4887 0.8296 0.8933 0.1850 -0.0249 0.0161 321 ASP c CB ? ? 1 +35758 C CG . ASP W 303 0.4838 0.8181 0.8850 0.1726 -0.0222 0.0170 321 ASP c CG ? ? 1 +35759 O OD1 . ASP W 303 0.4972 0.8127 0.8842 0.1706 -0.0201 0.0170 321 ASP c OD1 ? ? 1 +35760 O OD2 . ASP W 303 0.4662 0.8145 0.8793 0.1651 -0.0222 0.0176 321 ASP c OD2 ? ? 1 +35761 C C . ASP W 303 0.5180 0.8450 0.9086 0.2064 -0.0283 0.0148 321 ASP c C ? ? 1 +35762 O O . ASP W 303 0.5274 0.8456 0.9101 0.2099 -0.0314 0.0165 321 ASP c O ? ? 1 +35763 N N . GLN W 304 0.5146 0.8551 0.9152 0.2131 -0.0279 0.0124 322 GLN c N ? ? 1 +35764 C CA . GLN W 304 0.5209 0.8671 0.9243 0.2255 -0.0312 0.0114 322 GLN c CA ? ? 1 +35765 C CB . GLN W 304 0.5124 0.8773 0.9304 0.2304 -0.0298 0.0085 322 GLN c CB ? ? 1 +35766 C CG . GLN W 304 0.5173 0.8909 0.9406 0.2432 -0.0335 0.0071 322 GLN c CG ? ? 1 +35767 C CD . GLN W 304 0.5063 0.9013 0.9466 0.2469 -0.0318 0.0042 322 GLN c CD ? ? 1 +35768 O OE1 . GLN W 304 0.5096 0.9025 0.9483 0.2478 -0.0279 0.0025 322 GLN c OE1 ? ? 1 +35769 N NE2 . GLN W 304 0.4932 0.9092 0.9501 0.2485 -0.0346 0.0036 322 GLN c NE2 ? ? 1 +35770 C C . GLN W 304 0.5459 0.8688 0.9297 0.2339 -0.0321 0.0117 322 GLN c C ? ? 1 +35771 O O . GLN W 304 0.5542 0.8739 0.9340 0.2418 -0.0361 0.0124 322 GLN c O ? ? 1 +35772 N N . LYS W 305 0.5593 0.8654 0.9305 0.2320 -0.0285 0.0112 323 LYS c N ? ? 1 +35773 C CA . LYS W 305 0.5846 0.8658 0.9354 0.2384 -0.0288 0.0116 323 LYS c CA ? ? 1 +35774 C CB . LYS W 305 0.5951 0.8609 0.9349 0.2345 -0.0243 0.0106 323 LYS c CB ? ? 1 +35775 C CG . LYS W 305 0.5958 0.8690 0.9409 0.2406 -0.0220 0.0076 323 LYS c CG ? ? 1 +35776 C CD . LYS W 305 0.6085 0.8640 0.9405 0.2364 -0.0179 0.0067 323 LYS c CD ? ? 1 +35777 C CE . LYS W 305 0.6096 0.8721 0.9464 0.2418 -0.0152 0.0037 323 LYS c CE ? ? 1 +35778 N NZ . LYS W 305 0.6225 0.8671 0.9458 0.2375 -0.0114 0.0026 323 LYS c NZ ? ? 1 +35779 C C . LYS W 305 0.5948 0.8597 0.9326 0.2355 -0.0308 0.0146 323 LYS c C ? ? 1 +35780 O O . LYS W 305 0.6141 0.8626 0.9376 0.2436 -0.0328 0.0153 323 LYS c O ? ? 1 +35781 N N . LEU W 306 0.5828 0.8515 0.9250 0.2240 -0.0302 0.0164 324 LEU c N ? ? 1 +35782 C CA . LEU W 306 0.5905 0.8458 0.9220 0.2204 -0.0318 0.0192 324 LEU c CA ? ? 1 +35783 C CB . LEU W 306 0.5792 0.8349 0.9133 0.2061 -0.0291 0.0205 324 LEU c CB ? ? 1 +35784 C CG . LEU W 306 0.5861 0.8273 0.9108 0.1987 -0.0246 0.0198 324 LEU c CG ? ? 1 +35785 C CD1 . LEU W 306 0.5715 0.8174 0.9020 0.1851 -0.0227 0.0208 324 LEU c CD1 ? ? 1 +35786 C CD2 . LEU W 306 0.6121 0.8250 0.9144 0.2020 -0.0238 0.0207 324 LEU c CD2 ? ? 1 +35787 C C . LEU W 306 0.5861 0.8524 0.9244 0.2260 -0.0367 0.0203 324 LEU c C ? ? 1 +35788 O O . LEU W 306 0.5940 0.8489 0.9225 0.2248 -0.0384 0.0227 324 LEU c O ? ? 1 +35789 N N . GLY W 307 0.5735 0.8621 0.9285 0.2318 -0.0389 0.0184 325 GLY c N ? ? 1 +35790 C CA . GLY W 307 0.5698 0.8697 0.9318 0.2385 -0.0440 0.0188 325 GLY c CA ? ? 1 +35791 C C . GLY W 307 0.5459 0.8701 0.9277 0.2322 -0.0452 0.0187 325 GLY c C ? ? 1 +35792 O O . GLY W 307 0.5428 0.8762 0.9304 0.2362 -0.0495 0.0192 325 GLY c O ? ? 1 +35793 N N . ALA W 308 0.5301 0.8643 0.9219 0.2224 -0.0416 0.0182 326 ALA c N ? ? 1 +35794 C CA . ALA W 308 0.5073 0.8641 0.9177 0.2165 -0.0424 0.0181 326 ALA c CA ? ? 1 +35795 C CB . ALA W 308 0.4949 0.8550 0.9103 0.2042 -0.0381 0.0183 326 ALA c CB ? ? 1 +35796 C C . ALA W 308 0.4968 0.8753 0.9239 0.2241 -0.0441 0.0154 326 ALA c C ? ? 1 +35797 O O . ALA W 308 0.5011 0.8806 0.9290 0.2296 -0.0423 0.0134 326 ALA c O ? ? 1 +35798 N N . ASN W 309 0.4840 0.8796 0.9241 0.2242 -0.0476 0.0155 327 ASN c N ? ? 1 +35799 C CA . ASN W 309 0.4700 0.8896 0.9293 0.2282 -0.0487 0.0130 327 ASN c CA ? ? 1 +35800 C CB . ASN W 309 0.4662 0.8976 0.9334 0.2335 -0.0543 0.0128 327 ASN c CB ? ? 1 +35801 C CG . ASN W 309 0.4861 0.9043 0.9404 0.2450 -0.0583 0.0129 327 ASN c CG ? ? 1 +35802 O OD1 . ASN W 309 0.5008 0.9083 0.9460 0.2522 -0.0572 0.0120 327 ASN c OD1 ? ? 1 +35803 N ND2 . ASN W 309 0.4886 0.9060 0.9406 0.2470 -0.0630 0.0142 327 ASN c ND2 ? ? 1 +35804 C C . ASN W 309 0.4495 0.8835 0.9224 0.2174 -0.0450 0.0127 327 ASN c C ? ? 1 +35805 O O . ASN W 309 0.4376 0.8796 0.9176 0.2100 -0.0459 0.0139 327 ASN c O ? ? 1 +35806 N N . VAL W 310 0.4476 0.8839 0.9232 0.2169 -0.0408 0.0110 328 VAL c N ? ? 1 +35807 C CA . VAL W 310 0.4317 0.8779 0.9169 0.2067 -0.0369 0.0109 328 VAL c CA ? ? 1 +35808 C CB . VAL W 310 0.4375 0.8774 0.9180 0.2073 -0.0323 0.0094 328 VAL c CB ? ? 1 +35809 C CG1 . VAL W 310 0.4552 0.8694 0.9151 0.2063 -0.0311 0.0108 328 VAL c CG1 ? ? 1 +35810 C CG2 . VAL W 310 0.4414 0.8902 0.9280 0.2182 -0.0323 0.0067 328 VAL c CG2 ? ? 1 +35811 C C . VAL W 310 0.4121 0.8836 0.9181 0.2049 -0.0378 0.0098 328 VAL c C ? ? 1 +35812 O O . VAL W 310 0.3986 0.8785 0.9126 0.1955 -0.0357 0.0104 328 VAL c O ? ? 1 +35813 N N . GLY W 311 0.4114 0.8950 0.9262 0.2140 -0.0408 0.0080 329 GLY c N ? ? 1 +35814 C CA . GLY W 311 0.3934 0.9012 0.9283 0.2127 -0.0417 0.0066 329 GLY c CA ? ? 1 +35815 C C . GLY W 311 0.3818 0.8954 0.9217 0.2064 -0.0448 0.0083 329 GLY c C ? ? 1 +35816 O O . GLY W 311 0.3653 0.8954 0.9196 0.2002 -0.0438 0.0079 329 GLY c O ? ? 1 +35817 N N . SER W 312 0.3916 0.8913 0.9191 0.2082 -0.0484 0.0102 330 SER c N ? ? 1 +35818 C CA . SER W 312 0.3835 0.8872 0.9141 0.2036 -0.0517 0.0117 330 SER c CA ? ? 1 +35819 C CB . SER W 312 0.3939 0.8937 0.9192 0.2127 -0.0575 0.0118 330 SER c CB ? ? 1 +35820 O OG . SER W 312 0.4134 0.8925 0.9207 0.2191 -0.0576 0.0125 330 SER c OG ? ? 1 +35821 C C . SER W 312 0.3837 0.8733 0.9036 0.1937 -0.0499 0.0146 330 SER c C ? ? 1 +35822 O O . SER W 312 0.3795 0.8700 0.8999 0.1898 -0.0524 0.0161 330 SER c O ? ? 1 +35823 N N . ALA W 313 0.3892 0.8658 0.8996 0.1898 -0.0456 0.0152 331 ALA c N ? ? 1 +35824 C CA . ALA W 313 0.3895 0.8529 0.8901 0.1804 -0.0437 0.0176 331 ALA c CA ? ? 1 +35825 C CB . ALA W 313 0.4021 0.8473 0.8886 0.1795 -0.0400 0.0178 331 ALA c CB ? ? 1 +35826 C C . ALA W 313 0.3703 0.8477 0.8839 0.1701 -0.0417 0.0179 331 ALA c C ? ? 1 +35827 O O . ALA W 313 0.3624 0.8472 0.8830 0.1668 -0.0382 0.0167 331 ALA c O ? ? 1 +35828 N N . GLN W 314 0.3636 0.8442 0.8798 0.1656 -0.0440 0.0194 332 GLN c N ? ? 1 +35829 C CA . GLN W 314 0.3469 0.8388 0.8737 0.1558 -0.0426 0.0200 332 GLN c CA ? ? 1 +35830 C CB . GLN W 314 0.3405 0.8384 0.8715 0.1547 -0.0465 0.0210 332 GLN c CB ? ? 1 +35831 C CG . GLN W 314 0.3240 0.8316 0.8643 0.1448 -0.0454 0.0219 332 GLN c CG ? ? 1 +35832 C CD . GLN W 314 0.3221 0.8309 0.8624 0.1441 -0.0493 0.0231 332 GLN c CD ? ? 1 +35833 O OE1 . GLN W 314 0.3331 0.8343 0.8654 0.1509 -0.0527 0.0234 332 GLN c OE1 ? ? 1 +35834 N NE2 . GLN W 314 0.3088 0.8262 0.8572 0.1361 -0.0488 0.0238 332 GLN c NE2 ? ? 1 +35835 C C . GLN W 314 0.3494 0.8281 0.8668 0.1471 -0.0390 0.0215 332 GLN c C ? ? 1 +35836 O O . GLN W 314 0.3623 0.8239 0.8656 0.1466 -0.0394 0.0231 332 GLN c O ? ? 1 +35837 N N A GLY W 315 0.3385 0.8253 0.8638 0.1403 -0.0357 0.0210 333 GLY c N ? ? 1 +35838 N N B GLY W 315 0.3381 0.8248 0.8633 0.1403 -0.0357 0.0210 333 GLY c N ? ? 1 +35839 C CA A GLY W 315 0.3387 0.8156 0.8574 0.1316 -0.0326 0.0221 333 GLY c CA ? ? 1 +35840 C CA B GLY W 315 0.3384 0.8150 0.8568 0.1317 -0.0326 0.0221 333 GLY c CA ? ? 1 +35841 C C A GLY W 315 0.3283 0.8095 0.8514 0.1231 -0.0331 0.0237 333 GLY c C ? ? 1 +35842 C C B GLY W 315 0.3282 0.8083 0.8504 0.1232 -0.0332 0.0238 333 GLY c C ? ? 1 +35843 O O A GLY W 315 0.3192 0.8125 0.8518 0.1236 -0.0356 0.0239 333 GLY c O ? ? 1 +35844 O O B GLY W 315 0.3196 0.8110 0.8505 0.1238 -0.0358 0.0240 333 GLY c O ? ? 1 +35845 N N A PRO W 316 0.3300 0.8014 0.8464 0.1152 -0.0308 0.0249 334 PRO c N ? ? 1 +35846 N N B PRO W 316 0.3292 0.7999 0.8450 0.1152 -0.0308 0.0249 334 PRO c N ? ? 1 +35847 C CA A PRO W 316 0.3213 0.7952 0.8407 0.1072 -0.0312 0.0264 334 PRO c CA ? ? 1 +35848 C CA B PRO W 316 0.3203 0.7934 0.8390 0.1071 -0.0310 0.0264 334 PRO c CA ? ? 1 +35849 C C A PRO W 316 0.3038 0.7973 0.8395 0.1037 -0.0317 0.0261 334 PRO c C ? ? 1 +35850 C C B PRO W 316 0.3026 0.7952 0.8375 0.1037 -0.0316 0.0261 334 PRO c C ? ? 1 +35851 O O A PRO W 316 0.2973 0.7952 0.8367 0.1003 -0.0333 0.0272 334 PRO c O ? ? 1 +35852 O O B PRO W 316 0.2965 0.7933 0.8350 0.1005 -0.0333 0.0272 334 PRO c O ? ? 1 +35853 C CB A PRO W 316 0.3242 0.7874 0.8364 0.0998 -0.0279 0.0268 334 PRO c CB ? ? 1 +35854 C CB B PRO W 316 0.3231 0.7858 0.8349 0.0998 -0.0277 0.0267 334 PRO c CB ? ? 1 +35855 C CG A PRO W 316 0.3404 0.7887 0.8401 0.1049 -0.0269 0.0261 334 PRO c CG ? ? 1 +35856 C CG B PRO W 316 0.3392 0.7873 0.8388 0.1048 -0.0267 0.0260 334 PRO c CG ? ? 1 +35857 C CD A PRO W 316 0.3406 0.7977 0.8461 0.1136 -0.0279 0.0245 334 PRO c CD ? ? 1 +35858 C CD B PRO W 316 0.3396 0.7964 0.8448 0.1137 -0.0278 0.0245 334 PRO c CD ? ? 1 +35859 N N A THR W 317 0.2970 0.8016 0.8417 0.1045 -0.0300 0.0245 335 THR c N ? ? 1 +35860 N N B THR W 317 0.2950 0.7990 0.8393 0.1043 -0.0300 0.0246 335 THR c N ? ? 1 +35861 C CA A THR W 317 0.2809 0.8034 0.8407 0.1010 -0.0299 0.0241 335 THR c CA ? ? 1 +35862 C CA B THR W 317 0.2786 0.8006 0.8380 0.1009 -0.0300 0.0242 335 THR c CA ? ? 1 +35863 C C A THR W 317 0.2766 0.8118 0.8459 0.1069 -0.0329 0.0233 335 THR c C ? ? 1 +35864 C C B THR W 317 0.2742 0.8085 0.8428 0.1069 -0.0331 0.0234 335 THR c C ? ? 1 +35865 O O A THR W 317 0.2638 0.8131 0.8451 0.1039 -0.0335 0.0232 335 THR c O ? ? 1 +35866 O O B THR W 317 0.2616 0.8096 0.8418 0.1039 -0.0339 0.0234 335 THR c O ? ? 1 +35867 C CB A THR W 317 0.2762 0.8048 0.8412 0.0993 -0.0266 0.0228 335 THR c CB ? ? 1 +35868 C CB B THR W 317 0.2736 0.8020 0.8385 0.0992 -0.0267 0.0229 335 THR c CB ? ? 1 +35869 O OG1 A THR W 317 0.2840 0.8125 0.8479 0.1074 -0.0263 0.0212 335 THR c OG1 ? ? 1 +35870 O OG1 B THR W 317 0.2810 0.8101 0.8454 0.1075 -0.0265 0.0213 335 THR c OG1 ? ? 1 +35871 C CG2 A THR W 317 0.2792 0.7968 0.8361 0.0929 -0.0239 0.0233 335 THR c CG2 ? ? 1 +35872 C CG2 B THR W 317 0.2769 0.7942 0.8335 0.0931 -0.0240 0.0233 335 THR c CG2 ? ? 1 +35873 N N A GLY W 318 0.2876 0.8174 0.8513 0.1154 -0.0350 0.0227 336 GLY c N ? ? 1 +35874 N N B GLY W 318 0.2848 0.8141 0.8480 0.1155 -0.0349 0.0227 336 GLY c N ? ? 1 +35875 C CA A GLY W 318 0.2851 0.8271 0.8578 0.1220 -0.0381 0.0215 336 GLY c CA ? ? 1 +35876 C CA B GLY W 318 0.2821 0.8234 0.8542 0.1221 -0.0380 0.0215 336 GLY c CA ? ? 1 +35877 C C A GLY W 318 0.2862 0.8356 0.8646 0.1283 -0.0368 0.0193 336 GLY c C ? ? 1 +35878 C C B GLY W 318 0.2835 0.8316 0.8607 0.1287 -0.0367 0.0193 336 GLY c C ? ? 1 +35879 O O A GLY W 318 0.2892 0.8443 0.8713 0.1360 -0.0394 0.0180 336 GLY c O ? ? 1 +35880 O O B GLY W 318 0.2876 0.8401 0.8674 0.1366 -0.0394 0.0181 336 GLY c O ? ? 1 +35881 N N A LEU W 319 0.2839 0.8333 0.8629 0.1250 -0.0327 0.0188 337 LEU c N ? ? 1 +35882 N N B LEU W 319 0.2800 0.8291 0.8588 0.1252 -0.0327 0.0187 337 LEU c N ? ? 1 +35883 C CA A LEU W 319 0.2878 0.8404 0.8689 0.1308 -0.0306 0.0168 337 LEU c CA ? ? 1 +35884 C CA B LEU W 319 0.2836 0.8359 0.8644 0.1310 -0.0306 0.0168 337 LEU c CA ? ? 1 +35885 C C A LEU W 319 0.3052 0.8414 0.8719 0.1378 -0.0313 0.0167 337 LEU c C ? ? 1 +35886 C C B LEU W 319 0.3007 0.8371 0.8675 0.1381 -0.0313 0.0166 337 LEU c C ? ? 1 +35887 O O A LEU W 319 0.3135 0.8342 0.8676 0.1358 -0.0320 0.0183 337 LEU c O ? ? 1 +35888 O O B LEU W 319 0.3091 0.8298 0.8631 0.1361 -0.0319 0.0182 337 LEU c O ? ? 1 +35889 C CB A LEU W 319 0.2825 0.8366 0.8654 0.1250 -0.0261 0.0165 337 LEU c CB ? ? 1 +35890 C CB B LEU W 319 0.2781 0.8319 0.8607 0.1251 -0.0261 0.0165 337 LEU c CB ? ? 1 +35891 C CG A LEU W 319 0.2665 0.8374 0.8640 0.1193 -0.0247 0.0164 337 LEU c CG ? ? 1 +35892 C CG B LEU W 319 0.2620 0.8319 0.8587 0.1189 -0.0248 0.0165 337 LEU c CG ? ? 1 +35893 C CD1 A LEU W 319 0.2630 0.8318 0.8591 0.1128 -0.0207 0.0166 337 LEU c CD1 ? ? 1 +35894 C CD1 B LEU W 319 0.2583 0.8256 0.8532 0.1121 -0.0208 0.0168 337 LEU c CD1 ? ? 1 +35895 C CD2 A LEU W 319 0.2613 0.8486 0.8720 0.1247 -0.0248 0.0143 337 LEU c CD2 ? ? 1 +35896 C CD2 B LEU W 319 0.2559 0.8428 0.8663 0.1240 -0.0247 0.0145 337 LEU c CD2 ? ? 1 +35897 N N A GLY W 320 0.3111 0.8508 0.8798 0.1459 -0.0311 0.0148 338 GLY c N ? ? 1 +35898 N N B GLY W 320 0.3061 0.8465 0.8753 0.1464 -0.0311 0.0147 338 GLY c N ? ? 1 +35899 C CA A GLY W 320 0.3281 0.8525 0.8833 0.1531 -0.0315 0.0145 338 GLY c CA ? ? 1 +35900 C CA B GLY W 320 0.3229 0.8479 0.8786 0.1534 -0.0312 0.0143 338 GLY c CA ? ? 1 +35901 C C A GLY W 320 0.3359 0.8437 0.8780 0.1484 -0.0283 0.0153 338 GLY c C ? ? 1 +35902 C C B GLY W 320 0.3301 0.8386 0.8728 0.1482 -0.0281 0.0153 338 GLY c C ? ? 1 +35903 O O A GLY W 320 0.3286 0.8401 0.8744 0.1424 -0.0249 0.0151 338 GLY c O ? ? 1 +35904 O O B GLY W 320 0.3228 0.8349 0.8691 0.1422 -0.0247 0.0150 338 GLY c O ? ? 1 +35905 N N A LYS W 321 0.3509 0.8403 0.8777 0.1511 -0.0294 0.0163 339 LYS c N ? ? 1 +35906 N N B LYS W 321 0.3446 0.8347 0.8721 0.1506 -0.0293 0.0163 339 LYS c N ? ? 1 +35907 C CA A LYS W 321 0.3603 0.8326 0.8738 0.1470 -0.0266 0.0169 339 LYS c CA ? ? 1 +35908 C CA B LYS W 321 0.3540 0.8268 0.8679 0.1465 -0.0266 0.0170 339 LYS c CA ? ? 1 +35909 C C A LYS W 321 0.3661 0.8366 0.8777 0.1510 -0.0235 0.0149 339 LYS c C ? ? 1 +35910 C C B LYS W 321 0.3601 0.8305 0.8716 0.1502 -0.0235 0.0150 339 LYS c C ? ? 1 +35911 O O A LYS W 321 0.3651 0.8312 0.8736 0.1454 -0.0203 0.0147 339 LYS c O ? ? 1 +35912 O O B LYS W 321 0.3583 0.8249 0.8673 0.1444 -0.0203 0.0148 339 LYS c O ? ? 1 +35913 C CB A LYS W 321 0.3762 0.8291 0.8738 0.1495 -0.0286 0.0184 339 LYS c CB ? ? 1 +35914 C CB B LYS W 321 0.3699 0.8237 0.8682 0.1493 -0.0287 0.0184 339 LYS c CB ? ? 1 +35915 C CG A LYS W 321 0.3844 0.8197 0.8688 0.1429 -0.0260 0.0193 339 LYS c CG ? ? 1 +35916 C CG B LYS W 321 0.3787 0.8141 0.8631 0.1430 -0.0263 0.0194 339 LYS c CG ? ? 1 +35917 C CD A LYS W 321 0.4008 0.8166 0.8692 0.1452 -0.0276 0.0208 339 LYS c CD ? ? 1 +35918 C CD B LYS W 321 0.3947 0.8112 0.8636 0.1455 -0.0280 0.0209 339 LYS c CD ? ? 1 +35919 C CE A LYS W 321 0.3959 0.8138 0.8660 0.1424 -0.0304 0.0227 339 LYS c CE ? ? 1 +35920 C CE B LYS W 321 0.3894 0.8084 0.8603 0.1426 -0.0308 0.0229 339 LYS c CE ? ? 1 +35921 N NZ A LYS W 321 0.4133 0.8123 0.8675 0.1458 -0.0319 0.0242 339 LYS c NZ ? ? 1 +35922 N NZ B LYS W 321 0.4062 0.8056 0.8608 0.1447 -0.0319 0.0245 339 LYS c NZ ? ? 1 +35923 N N A TYR W 322 0.3725 0.8466 0.8859 0.1609 -0.0246 0.0134 340 TYR c N ? ? 1 +35924 N N B TYR W 322 0.3676 0.8403 0.8799 0.1602 -0.0245 0.0135 340 TYR c N ? ? 1 +35925 C CA A TYR W 322 0.3801 0.8520 0.8910 0.1662 -0.0218 0.0114 340 TYR c CA ? ? 1 +35926 C CA B TYR W 322 0.3754 0.8457 0.8850 0.1656 -0.0217 0.0115 340 TYR c CA ? ? 1 +35927 C C A TYR W 322 0.3677 0.8602 0.8949 0.1686 -0.0203 0.0094 340 TYR c C ? ? 1 +35928 C C B TYR W 322 0.3633 0.8539 0.8890 0.1679 -0.0202 0.0096 340 TYR c C ? ? 1 +35929 O O A TYR W 322 0.3669 0.8614 0.8955 0.1676 -0.0166 0.0081 340 TYR c O ? ? 1 +35930 O O B TYR W 322 0.3628 0.8549 0.8895 0.1669 -0.0164 0.0083 340 TYR c O ? ? 1 +35931 C CB A TYR W 322 0.3986 0.8579 0.8983 0.1764 -0.0237 0.0108 340 TYR c CB ? ? 1 +35932 C CB B TYR W 322 0.3937 0.8522 0.8928 0.1760 -0.0237 0.0110 340 TYR c CB ? ? 1 +35933 C CG A TYR W 322 0.4124 0.8507 0.8953 0.1750 -0.0252 0.0128 340 TYR c CG ? ? 1 +35934 C CG B TYR W 322 0.4080 0.8454 0.8902 0.1749 -0.0252 0.0129 340 TYR c CG ? ? 1 +35935 C CD1 A TYR W 322 0.4240 0.8443 0.8929 0.1719 -0.0225 0.0130 340 TYR c CD1 ? ? 1 +35936 C CD1 B TYR W 322 0.4202 0.8395 0.8883 0.1722 -0.0226 0.0130 340 TYR c CD1 ? ? 1 +35937 C CD2 A TYR W 322 0.4145 0.8507 0.8954 0.1767 -0.0291 0.0144 340 TYR c CD2 ? ? 1 +35938 C CD2 B TYR W 322 0.4100 0.8454 0.8903 0.1763 -0.0292 0.0145 340 TYR c CD2 ? ? 1 +35939 C CE1 A TYR W 322 0.4370 0.8378 0.8907 0.1702 -0.0235 0.0147 340 TYR c CE1 ? ? 1 +35940 C CE1 B TYR W 322 0.4337 0.8332 0.8863 0.1708 -0.0236 0.0148 340 TYR c CE1 ? ? 1 +35941 C CE2 A TYR W 322 0.4278 0.8442 0.8929 0.1752 -0.0301 0.0162 340 TYR c CE2 ? ? 1 +35942 C CE2 B TYR W 322 0.4237 0.8392 0.8881 0.1752 -0.0301 0.0163 340 TYR c CE2 ? ? 1 +35943 C CZ A TYR W 322 0.4390 0.8377 0.8906 0.1719 -0.0271 0.0164 340 TYR c CZ ? ? 1 +35944 C CZ B TYR W 322 0.4354 0.8330 0.8861 0.1723 -0.0272 0.0165 340 TYR c CZ ? ? 1 +35945 O OH A TYR W 322 0.4524 0.8314 0.8885 0.1700 -0.0276 0.0182 340 TYR c OH ? ? 1 +35946 O OH B TYR W 322 0.4492 0.8269 0.8843 0.1707 -0.0277 0.0183 340 TYR c OH ? ? 1 +35947 N N A LEU W 323 0.3586 0.8660 0.8978 0.1716 -0.0232 0.0091 341 LEU c N ? ? 1 +35948 N N B LEU W 323 0.3544 0.8601 0.8923 0.1713 -0.0230 0.0092 341 LEU c N ? ? 1 +35949 C CA A LEU W 323 0.3477 0.8752 0.9032 0.1744 -0.0220 0.0071 341 LEU c CA ? ? 1 +35950 C CA B LEU W 323 0.3436 0.8692 0.8975 0.1741 -0.0218 0.0072 341 LEU c CA ? ? 1 +35951 C C A LEU W 323 0.3297 0.8738 0.8996 0.1685 -0.0234 0.0078 341 LEU c C ? ? 1 +35952 C C B LEU W 323 0.3258 0.8685 0.8945 0.1687 -0.0233 0.0078 341 LEU c C ? ? 1 +35953 O O A LEU W 323 0.3278 0.8706 0.8969 0.1670 -0.0271 0.0092 341 LEU c O ? ? 1 +35954 O O B LEU W 323 0.3244 0.8663 0.8927 0.1681 -0.0272 0.0091 341 LEU c O ? ? 1 +35955 C CB A LEU W 323 0.3568 0.8876 0.9139 0.1861 -0.0244 0.0053 341 LEU c CB ? ? 1 +35956 C CB B LEU W 323 0.3532 0.8816 0.9084 0.1859 -0.0241 0.0054 341 LEU c CB ? ? 1 +35957 C CG A LEU W 323 0.3744 0.8901 0.9183 0.1935 -0.0231 0.0044 341 LEU c CG ? ? 1 +35958 C CG B LEU W 323 0.3706 0.8841 0.9127 0.1931 -0.0226 0.0044 341 LEU c CG ? ? 1 +35959 C CD1 A LEU W 323 0.3828 0.9018 0.9284 0.2051 -0.0263 0.0028 341 LEU c CD1 ? ? 1 +35960 C CD1 B LEU W 323 0.3794 0.8956 0.9227 0.2049 -0.0257 0.0028 341 LEU c CD1 ? ? 1 +35961 C CD2 A LEU W 323 0.3739 0.8921 0.9196 0.1924 -0.0178 0.0028 341 LEU c CD2 ? ? 1 +35962 C CD2 B LEU W 323 0.3694 0.8860 0.9138 0.1919 -0.0173 0.0028 341 LEU c CD2 ? ? 1 +35963 N N A MET W 324 0.3173 0.8766 0.9000 0.1652 -0.0203 0.0067 342 MET c N ? ? 1 +35964 N N B MET W 324 0.3131 0.8708 0.8945 0.1649 -0.0202 0.0068 342 MET c N ? ? 1 +35965 C CA A MET W 324 0.3011 0.8773 0.8986 0.1599 -0.0212 0.0070 342 MET c CA ? ? 1 +35966 C CA B MET W 324 0.2971 0.8718 0.8934 0.1599 -0.0211 0.0071 342 MET c CA ? ? 1 +35967 C C A MET W 324 0.2932 0.8873 0.9054 0.1619 -0.0182 0.0047 342 MET c C ? ? 1 +35968 C C B MET W 324 0.2896 0.8823 0.9007 0.1622 -0.0183 0.0048 342 MET c C ? ? 1 +35969 O O A MET W 324 0.3004 0.8940 0.9114 0.1679 -0.0158 0.0030 342 MET c O ? ? 1 +35970 O O B MET W 324 0.2974 0.8893 0.9070 0.1683 -0.0159 0.0030 342 MET c O ? ? 1 +35971 C CB A MET W 324 0.2927 0.8653 0.8881 0.1489 -0.0197 0.0091 342 MET c CB ? ? 1 +35972 C CB B MET W 324 0.2883 0.8600 0.8829 0.1487 -0.0197 0.0091 342 MET c CB ? ? 1 +35973 C CG A MET W 324 0.2948 0.8606 0.8843 0.1450 -0.0151 0.0090 342 MET c CG ? ? 1 +35974 C CG B MET W 324 0.2892 0.8555 0.8791 0.1444 -0.0149 0.0090 342 MET c CG ? ? 1 +35975 S SD A MET W 324 0.2853 0.8478 0.8730 0.1325 -0.0137 0.0111 342 MET c SD ? ? 1 +35976 S SD B MET W 324 0.2798 0.8423 0.8676 0.1319 -0.0137 0.0112 342 MET c SD ? ? 1 +35977 C CE A MET W 324 0.2672 0.8515 0.8737 0.1284 -0.0135 0.0110 342 MET c CE ? ? 1 +35978 C CE B MET W 324 0.2615 0.8457 0.8679 0.1275 -0.0133 0.0111 342 MET c CE ? ? 1 +35979 N N A ARG W 325 0.2786 0.8883 0.9047 0.1567 -0.0182 0.0048 343 ARG c N ? ? 1 +35980 N N B ARG W 325 0.2755 0.8842 0.9007 0.1572 -0.0183 0.0048 343 ARG c N ? ? 1 +35981 C CA A ARG W 325 0.2703 0.8972 0.9108 0.1571 -0.0148 0.0028 343 ARG c CA ? ? 1 +35982 C CA B ARG W 325 0.2673 0.8930 0.9068 0.1575 -0.0148 0.0028 343 ARG c CA ? ? 1 +35983 C C A ARG W 325 0.2624 0.8906 0.9042 0.1484 -0.0101 0.0037 343 ARG c C ? ? 1 +35984 C C B ARG W 325 0.2597 0.8866 0.9004 0.1486 -0.0102 0.0038 343 ARG c C ? ? 1 +35985 O O A ARG W 325 0.2575 0.8799 0.8950 0.1408 -0.0107 0.0058 343 ARG c O ? ? 1 +35986 O O B ARG W 325 0.2556 0.8754 0.8909 0.1412 -0.0108 0.0059 343 ARG c O ? ? 1 +35987 C CB A ARG W 325 0.2602 0.9047 0.9163 0.1577 -0.0177 0.0019 343 ARG c CB ? ? 1 +35988 C CB B ARG W 325 0.2571 0.9008 0.9124 0.1583 -0.0176 0.0018 343 ARG c CB ? ? 1 +35989 C CG A ARG W 325 0.2675 0.9138 0.9246 0.1674 -0.0223 0.0004 343 ARG c CG ? ? 1 +35990 C CG B ARG W 325 0.2641 0.9105 0.9212 0.1682 -0.0219 0.0001 343 ARG c CG ? ? 1 +35991 C CD A ARG W 325 0.2570 0.9230 0.9314 0.1678 -0.0247 -0.0011 343 ARG c CD ? ? 1 +35992 C CD B ARG W 325 0.2536 0.9185 0.9270 0.1681 -0.0247 -0.0011 343 ARG c CD ? ? 1 +35993 N NE A ARG W 325 0.2637 0.9329 0.9402 0.1771 -0.0296 -0.0028 343 ARG c NE ? ? 1 +35994 N NE B ARG W 325 0.2603 0.9283 0.9357 0.1775 -0.0296 -0.0028 343 ARG c NE ? ? 1 +35995 C CZ A ARG W 325 0.2686 0.9453 0.9508 0.1857 -0.0292 -0.0055 343 ARG c CZ ? ? 1 +35996 C CZ B ARG W 325 0.2659 0.9403 0.9460 0.1863 -0.0291 -0.0054 343 ARG c CZ ? ? 1 +35997 N NH1 A ARG W 325 0.2689 0.9497 0.9545 0.1865 -0.0237 -0.0069 343 ARG c NH1 ? ? 1 +35998 N NH1 B ARG W 325 0.2647 0.9453 0.9502 0.1867 -0.0236 -0.0069 343 ARG c NH1 ? ? 1 +35999 N NH2 A ARG W 325 0.2745 0.9538 0.9582 0.1939 -0.0344 -0.0069 343 ARG c NH2 ? ? 1 +36000 N NH2 B ARG W 325 0.2734 0.9479 0.9527 0.1950 -0.0343 -0.0066 343 ARG c NH2 ? ? 1 +36001 N N A SER W 326 0.2615 0.8972 0.9090 0.1499 -0.0054 0.0021 344 SER c N ? ? 1 +36002 N N B SER W 326 0.2580 0.8937 0.9056 0.1496 -0.0056 0.0021 344 SER c N ? ? 1 +36003 C CA A SER W 326 0.2533 0.8932 0.9043 0.1423 -0.0009 0.0026 344 SER c CA ? ? 1 +36004 C CA B SER W 326 0.2497 0.8898 0.9010 0.1419 -0.0012 0.0028 344 SER c CA ? ? 1 +36005 C C A SER W 326 0.2391 0.8962 0.9058 0.1379 -0.0015 0.0026 344 SER c C ? ? 1 +36006 C C B SER W 326 0.2362 0.8934 0.9031 0.1374 -0.0017 0.0027 344 SER c C ? ? 1 +36007 O O A SER W 326 0.2363 0.9023 0.9113 0.1415 -0.0049 0.0017 344 SER c O ? ? 1 +36008 O O B SER W 326 0.2330 0.8994 0.9084 0.1408 -0.0051 0.0019 344 SER c O ? ? 1 +36009 C CB A SER W 326 0.2583 0.9002 0.9097 0.1456 0.0044 0.0008 344 SER c CB ? ? 1 +36010 C CB B SER W 326 0.2545 0.8966 0.9062 0.1450 0.0042 0.0010 344 SER c CB ? ? 1 +36011 O OG A SER W 326 0.2532 0.9129 0.9198 0.1490 0.0060 -0.0012 344 SER c OG ? ? 1 +36012 O OG B SER W 326 0.2484 0.9088 0.9158 0.1474 0.0061 -0.0009 344 SER c OG ? ? 1 +36013 N N A PRO W 327 0.2304 0.8920 0.9012 0.1299 0.0017 0.0036 345 PRO c N ? ? 1 +36014 N N B PRO W 327 0.2281 0.8900 0.8992 0.1296 0.0017 0.0037 345 PRO c N ? ? 1 +36015 C CA A PRO W 327 0.2178 0.8947 0.9029 0.1253 0.0014 0.0037 345 PRO c CA ? ? 1 +36016 C CA B PRO W 327 0.2159 0.8934 0.9015 0.1249 0.0016 0.0037 345 PRO c CA ? ? 1 +36017 C C A PRO W 327 0.2151 0.9091 0.9151 0.1300 0.0028 0.0010 345 PRO c C ? ? 1 +36018 C C B PRO W 327 0.2136 0.9083 0.9142 0.1295 0.0033 0.0010 345 PRO c C ? ? 1 +36019 O O A PRO W 327 0.2058 0.9127 0.9181 0.1278 0.0012 0.0006 345 PRO c O ? ? 1 +36020 O O B PRO W 327 0.2037 0.9117 0.9169 0.1266 0.0025 0.0007 345 PRO c O ? ? 1 +36021 C CB A PRO W 327 0.2121 0.8876 0.8957 0.1169 0.0054 0.0051 345 PRO c CB ? ? 1 +36022 C CB B PRO W 327 0.2101 0.8857 0.8938 0.1166 0.0055 0.0052 345 PRO c CB ? ? 1 +36023 C CG A PRO W 327 0.2209 0.8784 0.8881 0.1162 0.0057 0.0063 345 PRO c CG ? ? 1 +36024 C CG B PRO W 327 0.2188 0.8764 0.8861 0.1159 0.0055 0.0064 345 PRO c CG ? ? 1 +36025 C CD A PRO W 327 0.2327 0.8842 0.8939 0.1250 0.0054 0.0047 345 PRO c CD ? ? 1 +36026 C CD B PRO W 327 0.2305 0.8820 0.8918 0.1246 0.0052 0.0049 345 PRO c CD ? ? 1 +36027 N N . THR W 328 0.2231 0.9175 0.9223 0.1366 0.0058 -0.0009 346 THR c N ? ? 1 +36028 C CA . THR W 328 0.2235 0.9339 0.9366 0.1422 0.0070 -0.0037 346 THR c CA ? ? 1 +36029 C CB . THR W 328 0.2261 0.9403 0.9414 0.1428 0.0140 -0.0050 346 THR c CB ? ? 1 +36030 O OG1 . THR W 328 0.2378 0.9360 0.9377 0.1457 0.0155 -0.0046 346 THR c OG1 ? ? 1 +36031 C CG2 . THR W 328 0.2171 0.9368 0.9374 0.1339 0.0183 -0.0038 346 THR c CG2 ? ? 1 +36032 C C . THR W 328 0.2329 0.9422 0.9449 0.1518 0.0027 -0.0053 346 THR c C ? ? 1 +36033 O O . THR W 328 0.2359 0.9577 0.9586 0.1577 0.0034 -0.0080 346 THR c O ? ? 1 +36034 N N . GLY W 329 0.2399 0.9344 0.9389 0.1534 -0.0018 -0.0038 347 GLY c N ? ? 1 +36035 C CA . GLY W 329 0.2470 0.9400 0.9446 0.1616 -0.0071 -0.0048 347 GLY c CA ? ? 1 +36036 C C . GLY W 329 0.2617 0.9422 0.9474 0.1701 -0.0069 -0.0056 347 GLY c C ? ? 1 +36037 O O . GLY W 329 0.2686 0.9450 0.9505 0.1770 -0.0116 -0.0061 347 GLY c O ? ? 1 +36038 N N . GLU W 330 0.2673 0.9412 0.9464 0.1698 -0.0018 -0.0058 348 GLU c N ? ? 1 +36039 C CA . GLU W 330 0.2830 0.9442 0.9501 0.1776 -0.0013 -0.0066 348 GLU c CA ? ? 1 +36040 C CB . GLU W 330 0.2878 0.9446 0.9500 0.1762 0.0052 -0.0070 348 GLU c CB ? ? 1 +36041 C CG . GLU W 330 0.2827 0.9572 0.9597 0.1773 0.0101 -0.0093 348 GLU c CG ? ? 1 +36042 C CD . GLU W 330 0.2689 0.9560 0.9576 0.1682 0.0124 -0.0085 348 GLU c CD ? ? 1 +36043 O OE1 . GLU W 330 0.2625 0.9443 0.9473 0.1607 0.0103 -0.0061 348 GLU c OE1 ? ? 1 +36044 O OE2 . GLU W 330 0.2650 0.9671 0.9665 0.1686 0.0165 -0.0104 348 GLU c OE2 ? ? 1 +36045 C C . GLU W 330 0.2916 0.9332 0.9420 0.1775 -0.0053 -0.0044 348 GLU c C ? ? 1 +36046 O O . GLU W 330 0.2873 0.9217 0.9321 0.1694 -0.0058 -0.0020 348 GLU c O ? ? 1 +36047 N N . ILE W 331 0.3037 0.9366 0.9461 0.1865 -0.0079 -0.0053 349 ILE c N ? ? 1 +36048 C CA . ILE W 331 0.3147 0.9275 0.9401 0.1873 -0.0111 -0.0034 349 ILE c CA ? ? 1 +36049 C CB . ILE W 331 0.3278 0.9357 0.9484 0.1982 -0.0153 -0.0045 349 ILE c CB ? ? 1 +36050 C CG1 . ILE W 331 0.3218 0.9457 0.9562 0.2020 -0.0199 -0.0057 349 ILE c CG1 ? ? 1 +36051 C CG2 . ILE W 331 0.3401 0.9257 0.9419 0.1985 -0.0181 -0.0024 349 ILE c CG2 ? ? 1 +36052 C CD1 . ILE W 331 0.3109 0.9392 0.9499 0.1945 -0.0228 -0.0038 349 ILE c CD1 ? ? 1 +36053 C C . ILE W 331 0.3222 0.9193 0.9337 0.1841 -0.0071 -0.0026 349 ILE c C ? ? 1 +36054 O O . ILE W 331 0.3286 0.9242 0.9379 0.1887 -0.0035 -0.0043 349 ILE c O ? ? 1 +36055 N N A ILE W 332 0.3214 0.9070 0.9239 0.1762 -0.0078 -0.0001 350 ILE c N ? ? 1 +36056 N N B ILE W 332 0.3203 0.9060 0.9229 0.1761 -0.0078 -0.0001 350 ILE c N ? ? 1 +36057 C CA A ILE W 332 0.3275 0.8989 0.9177 0.1716 -0.0045 0.0006 350 ILE c CA ? ? 1 +36058 C CA B ILE W 332 0.3257 0.8971 0.9158 0.1716 -0.0045 0.0007 350 ILE c CA ? ? 1 +36059 C C A ILE W 332 0.3369 0.8892 0.9116 0.1692 -0.0074 0.0027 350 ILE c C ? ? 1 +36060 C C B ILE W 332 0.3341 0.8865 0.9090 0.1690 -0.0074 0.0027 350 ILE c C ? ? 1 +36061 O O A ILE W 332 0.3359 0.8870 0.9103 0.1694 -0.0116 0.0039 350 ILE c O ? ? 1 +36062 O O B ILE W 332 0.3326 0.8841 0.9075 0.1691 -0.0116 0.0039 350 ILE c O ? ? 1 +36063 C CB A ILE W 332 0.3144 0.8941 0.9116 0.1621 -0.0011 0.0014 350 ILE c CB ? ? 1 +36064 C CB B ILE W 332 0.3126 0.8925 0.9099 0.1622 -0.0011 0.0014 350 ILE c CB ? ? 1 +36065 C CG1 A ILE W 332 0.3035 0.8859 0.9043 0.1544 -0.0043 0.0036 350 ILE c CG1 ? ? 1 +36066 C CG1 B ILE W 332 0.3012 0.8844 0.9027 0.1545 -0.0042 0.0035 350 ILE c CG1 ? ? 1 +36067 C CG2 A ILE W 332 0.3069 0.9051 0.9191 0.1639 0.0024 -0.0005 350 ILE c CG2 ? ? 1 +36068 C CG2 B ILE W 332 0.3057 0.9035 0.9175 0.1642 0.0024 -0.0006 350 ILE c CG2 ? ? 1 +36069 C CD1 A ILE W 332 0.2926 0.8800 0.8978 0.1451 -0.0015 0.0046 350 ILE c CD1 ? ? 1 +36070 C CD1 B ILE W 332 0.2905 0.8784 0.8961 0.1451 -0.0015 0.0046 350 ILE c CD1 ? ? 1 +36071 N N A PHE W 333 0.3467 0.8840 0.9086 0.1666 -0.0049 0.0030 351 PHE c N ? ? 1 +36072 N N B PHE W 333 0.3433 0.8806 0.9052 0.1665 -0.0050 0.0030 351 PHE c N ? ? 1 +36073 C CA A PHE W 333 0.3550 0.8741 0.9026 0.1627 -0.0069 0.0048 351 PHE c CA ? ? 1 +36074 C CA B PHE W 333 0.3511 0.8700 0.8985 0.1626 -0.0069 0.0049 351 PHE c CA ? ? 1 +36075 C C A PHE W 333 0.3436 0.8664 0.8953 0.1528 -0.0081 0.0069 351 PHE c C ? ? 1 +36076 C C B PHE W 333 0.3390 0.8616 0.8906 0.1527 -0.0081 0.0070 351 PHE c C ? ? 1 +36077 O O A PHE W 333 0.3316 0.8659 0.8928 0.1471 -0.0059 0.0069 351 PHE c O ? ? 1 +36078 O O B PHE W 333 0.3271 0.8609 0.8879 0.1470 -0.0059 0.0070 351 PHE c O ? ? 1 +36079 C CB A PHE W 333 0.3662 0.8697 0.9002 0.1615 -0.0038 0.0043 351 PHE c CB ? ? 1 +36080 C CB B PHE W 333 0.3622 0.8655 0.8961 0.1612 -0.0038 0.0044 351 PHE c CB ? ? 1 +36081 C CG A PHE W 333 0.3821 0.8763 0.9075 0.1712 -0.0031 0.0026 351 PHE c CG ? ? 1 +36082 C CG B PHE W 333 0.3781 0.8716 0.9030 0.1707 -0.0031 0.0027 351 PHE c CG ? ? 1 +36083 C CD1 A PHE W 333 0.3918 0.8791 0.9118 0.1784 -0.0066 0.0028 351 PHE c CD1 ? ? 1 +36084 C CD1 B PHE W 333 0.3885 0.8742 0.9072 0.1778 -0.0065 0.0029 351 PHE c CD1 ? ? 1 +36085 C CD2 A PHE W 333 0.3881 0.8799 0.9103 0.1734 0.0010 0.0008 351 PHE c CD2 ? ? 1 +36086 C CD2 B PHE W 333 0.3841 0.8750 0.9056 0.1726 0.0010 0.0009 351 PHE c CD2 ? ? 1 +36087 C CE1 A PHE W 333 0.4071 0.8854 0.9188 0.1877 -0.0061 0.0012 351 PHE c CE1 ? ? 1 +36088 C CE1 B PHE W 333 0.4042 0.8803 0.9142 0.1869 -0.0059 0.0013 351 PHE c CE1 ? ? 1 +36089 C CE2 A PHE W 333 0.4031 0.8861 0.9171 0.1826 0.0016 -0.0008 351 PHE c CE2 ? ? 1 +36090 C CE2 B PHE W 333 0.3994 0.8808 0.9122 0.1816 0.0018 -0.0007 351 PHE c CE2 ? ? 1 +36091 C CZ A PHE W 333 0.4125 0.8888 0.9215 0.1898 -0.0020 -0.0006 351 PHE c CZ ? ? 1 +36092 C CZ B PHE W 333 0.4094 0.8834 0.9166 0.1887 -0.0017 -0.0005 351 PHE c CZ ? ? 1 +36093 N N A GLY W 334 0.3490 0.8615 0.8931 0.1510 -0.0114 0.0087 352 GLY c N ? ? 1 +36094 N N B GLY W 334 0.3436 0.8558 0.8875 0.1509 -0.0115 0.0087 352 GLY c N ? ? 1 +36095 C CA A GLY W 334 0.3400 0.8548 0.8872 0.1422 -0.0129 0.0106 352 GLY c CA ? ? 1 +36096 C CA B GLY W 334 0.3343 0.8489 0.8813 0.1422 -0.0130 0.0107 352 GLY c CA ? ? 1 +36097 C C A GLY W 334 0.3453 0.8462 0.8815 0.1346 -0.0114 0.0117 352 GLY c C ? ? 1 +36098 C C B GLY W 334 0.3384 0.8398 0.8751 0.1344 -0.0113 0.0117 352 GLY c C ? ? 1 +36099 O O A GLY W 334 0.3561 0.8451 0.8821 0.1360 -0.0093 0.0108 352 GLY c O ? ? 1 +36100 O O B GLY W 334 0.3483 0.8389 0.8755 0.1355 -0.0091 0.0108 352 GLY c O ? ? 1 +36101 N N A GLY W 335 0.3391 0.8416 0.8778 0.1266 -0.0125 0.0134 353 GLY c N ? ? 1 +36102 N N B GLY W 335 0.3323 0.8346 0.8708 0.1266 -0.0126 0.0135 353 GLY c N ? ? 1 +36103 C CA A GLY W 335 0.3415 0.8345 0.8730 0.1184 -0.0111 0.0142 353 GLY c CA ? ? 1 +36104 C CA B GLY W 335 0.3340 0.8271 0.8657 0.1182 -0.0112 0.0143 353 GLY c CA ? ? 1 +36105 C C A GLY W 335 0.3336 0.8369 0.8730 0.1133 -0.0082 0.0136 353 GLY c C ? ? 1 +36106 C C B GLY W 335 0.3253 0.8291 0.8652 0.1132 -0.0083 0.0137 353 GLY c C ? ? 1 +36107 O O A GLY W 335 0.3246 0.8432 0.8760 0.1151 -0.0073 0.0129 353 GLY c O ? ? 1 +36108 O O B GLY W 335 0.3161 0.8353 0.8681 0.1150 -0.0076 0.0131 353 GLY c O ? ? 1 +36109 N N A GLU W 336 0.3386 0.8334 0.8712 0.1070 -0.0066 0.0137 354 GLU c N ? ? 1 +36110 N N B GLU W 336 0.3297 0.8252 0.8629 0.1069 -0.0067 0.0138 354 GLU c N ? ? 1 +36111 C CA A GLU W 336 0.3322 0.8347 0.8703 0.1019 -0.0041 0.0133 354 GLU c CA ? ? 1 +36112 C CA B GLU W 336 0.3229 0.8263 0.8617 0.1021 -0.0041 0.0132 354 GLU c CA ? ? 1 +36113 C C A GLU W 336 0.3312 0.8396 0.8722 0.1075 -0.0012 0.0114 354 GLU c C ? ? 1 +36114 C C B GLU W 336 0.3220 0.8306 0.8632 0.1078 -0.0011 0.0114 354 GLU c C ? ? 1 +36115 O O A GLU W 336 0.3218 0.8415 0.8712 0.1051 0.0009 0.0111 354 GLU c O ? ? 1 +36116 O O B GLU W 336 0.3124 0.8326 0.8622 0.1057 0.0010 0.0111 354 GLU c O ? ? 1 +36117 C CB A GLU W 336 0.3417 0.8323 0.8703 0.0950 -0.0034 0.0133 354 GLU c CB ? ? 1 +36118 C CB B GLU W 336 0.3317 0.8239 0.8615 0.0949 -0.0033 0.0134 354 GLU c CB ? ? 1 +36119 C CG A GLU W 336 0.3364 0.8308 0.8694 0.0865 -0.0047 0.0149 354 GLU c CG ? ? 1 +36120 C CG B GLU W 336 0.3248 0.8238 0.8611 0.0864 -0.0042 0.0148 354 GLU c CG ? ? 1 +36121 C CD A GLU W 336 0.3416 0.8321 0.8711 0.0792 -0.0035 0.0146 354 GLU c CD ? ? 1 +36122 C CD B GLU W 336 0.3320 0.8248 0.8632 0.0792 -0.0032 0.0145 354 GLU c CD ? ? 1 +36123 O OE1 A GLU W 336 0.3586 0.8388 0.8788 0.0796 -0.0021 0.0132 354 GLU c OE1 ? ? 1 +36124 O OE1 B GLU W 336 0.3500 0.8308 0.8707 0.0797 -0.0021 0.0133 354 GLU c OE1 ? ? 1 +36125 O OE2 A GLU W 336 0.3385 0.8366 0.8749 0.0731 -0.0042 0.0157 354 GLU c OE2 ? ? 1 +36126 O OE2 B GLU W 336 0.3296 0.8299 0.8674 0.0730 -0.0038 0.0155 354 GLU c OE2 ? ? 1 +36127 N N A THR W 337 0.3411 0.8416 0.8751 0.1151 -0.0009 0.0102 355 THR c N ? ? 1 +36128 N N B THR W 337 0.3321 0.8319 0.8655 0.1151 -0.0008 0.0102 355 THR c N ? ? 1 +36129 C CA A THR W 337 0.3428 0.8476 0.8785 0.1210 0.0022 0.0083 355 THR c CA ? ? 1 +36130 C CA B THR W 337 0.3340 0.8379 0.8690 0.1210 0.0022 0.0083 355 THR c CA ? ? 1 +36131 C C A THR W 337 0.3304 0.8539 0.8812 0.1246 0.0027 0.0078 355 THR c C ? ? 1 +36132 C C B THR W 337 0.3215 0.8442 0.8717 0.1245 0.0028 0.0078 355 THR c C ? ? 1 +36133 O O A THR W 337 0.3324 0.8617 0.8866 0.1292 0.0057 0.0062 355 THR c O ? ? 1 +36134 O O B THR W 337 0.3231 0.8519 0.8768 0.1288 0.0058 0.0062 355 THR c O ? ? 1 +36135 C CB A THR W 337 0.3594 0.8509 0.8838 0.1288 0.0023 0.0070 355 THR c CB ? ? 1 +36136 C CB B THR W 337 0.3503 0.8408 0.8739 0.1288 0.0023 0.0070 355 THR c CB ? ? 1 +36137 O OG1 A THR W 337 0.3644 0.8562 0.8871 0.1321 0.0059 0.0051 355 THR c OG1 ? ? 1 +36138 O OG1 B THR W 337 0.3556 0.8461 0.8772 0.1321 0.0059 0.0051 355 THR c OG1 ? ? 1 +36139 C CG2 A THR W 337 0.3619 0.8575 0.8902 0.1367 -0.0001 0.0069 355 THR c CG2 ? ? 1 +36140 C CG2 B THR W 337 0.3528 0.8475 0.8803 0.1369 -0.0001 0.0069 355 THR c CG2 ? ? 1 +36141 N N A MET W 338 0.3174 0.8503 0.8773 0.1223 0.0001 0.0092 356 MET c N ? ? 1 +36142 N N B MET W 338 0.3088 0.8411 0.8682 0.1224 0.0001 0.0091 356 MET c N ? ? 1 +36143 C CA A MET W 338 0.3053 0.8566 0.8804 0.1246 0.0004 0.0087 356 MET c CA ? ? 1 +36144 C CA B MET W 338 0.2967 0.8474 0.8713 0.1244 0.0005 0.0087 356 MET c CA ? ? 1 +36145 C C A MET W 338 0.2978 0.8584 0.8794 0.1216 0.0047 0.0079 356 MET c C ? ? 1 +36146 C C B MET W 338 0.2892 0.8496 0.8706 0.1214 0.0047 0.0079 356 MET c C ? ? 1 +36147 O O A MET W 338 0.2938 0.8673 0.8856 0.1252 0.0067 0.0067 356 MET c O ? ? 1 +36148 O O B MET W 338 0.2850 0.8585 0.8768 0.1250 0.0066 0.0067 356 MET c O ? ? 1 +36149 C CB A MET W 338 0.2934 0.8528 0.8768 0.1205 -0.0028 0.0103 356 MET c CB ? ? 1 +36150 C CB B MET W 338 0.2848 0.8434 0.8675 0.1203 -0.0028 0.0103 356 MET c CB ? ? 1 +36151 C CG A MET W 338 0.2847 0.8424 0.8673 0.1109 -0.0028 0.0119 356 MET c CG ? ? 1 +36152 C CG B MET W 338 0.2758 0.8330 0.8580 0.1106 -0.0028 0.0120 356 MET c CG ? ? 1 +36153 S SD A MET W 338 0.2701 0.8394 0.8639 0.1066 -0.0061 0.0135 356 MET c SD ? ? 1 +36154 S SD B MET W 338 0.2610 0.8298 0.8545 0.1065 -0.0062 0.0136 356 MET c SD ? ? 1 +36155 C CE A MET W 338 0.2791 0.8335 0.8616 0.1078 -0.0102 0.0148 356 MET c CE ? ? 1 +36156 C CE B MET W 338 0.2701 0.8247 0.8527 0.1084 -0.0103 0.0147 356 MET c CE ? ? 1 +36157 N N A ARG W 339 0.2963 0.8500 0.8716 0.1149 0.0061 0.0086 357 ARG c N ? ? 1 +36158 N N B ARG W 339 0.2878 0.8417 0.8632 0.1147 0.0062 0.0086 357 ARG c N ? ? 1 +36159 C CA A ARG W 339 0.2899 0.8507 0.8696 0.1114 0.0099 0.0082 357 ARG c CA ? ? 1 +36160 C CA B ARG W 339 0.2819 0.8429 0.8617 0.1115 0.0101 0.0081 357 ARG c CA ? ? 1 +36161 C C A ARG W 339 0.2984 0.8572 0.8744 0.1171 0.0138 0.0062 357 ARG c C ? ? 1 +36162 C C B ARG W 339 0.2910 0.8499 0.8670 0.1174 0.0139 0.0061 357 ARG c C ? ? 1 +36163 O O A ARG W 339 0.2949 0.8605 0.8750 0.1155 0.0175 0.0057 357 ARG c O ? ? 1 +36164 O O B ARG W 339 0.2875 0.8545 0.8687 0.1164 0.0177 0.0055 357 ARG c O ? ? 1 +36165 C CB A ARG W 339 0.2879 0.8408 0.8608 0.1033 0.0099 0.0093 357 ARG c CB ? ? 1 +36166 C CB B ARG W 339 0.2799 0.8330 0.8528 0.1034 0.0102 0.0092 357 ARG c CB ? ? 1 +36167 C CG A ARG W 339 0.3009 0.8365 0.8586 0.1038 0.0101 0.0086 357 ARG c CG ? ? 1 +36168 C CG B ARG W 339 0.2927 0.8280 0.8501 0.1037 0.0101 0.0086 357 ARG c CG ? ? 1 +36169 C CD A ARG W 339 0.2989 0.8285 0.8512 0.0958 0.0101 0.0093 357 ARG c CD ? ? 1 +36170 C CD B ARG W 339 0.2905 0.8199 0.8426 0.0957 0.0101 0.0093 357 ARG c CD ? ? 1 +36171 N NE A ARG W 339 0.2909 0.8210 0.8457 0.0899 0.0068 0.0111 357 ARG c NE ? ? 1 +36172 N NE B ARG W 339 0.2820 0.8123 0.8370 0.0897 0.0068 0.0111 357 ARG c NE ? ? 1 +36173 C CZ A ARG W 339 0.2915 0.8133 0.8399 0.0836 0.0056 0.0117 357 ARG c CZ ? ? 1 +36174 C CZ B ARG W 339 0.2820 0.8046 0.8310 0.0832 0.0056 0.0118 357 ARG c CZ ? ? 1 +36175 N NH1 A ARG W 339 0.2984 0.8119 0.8383 0.0816 0.0071 0.0107 357 ARG c NH1 ? ? 1 +36176 N NH1 B ARG W 339 0.2891 0.8035 0.8297 0.0812 0.0071 0.0108 357 ARG c NH1 ? ? 1 +36177 N NH2 A ARG W 339 0.2855 0.8073 0.8360 0.0792 0.0027 0.0132 357 ARG c NH2 ? ? 1 +36178 N NH2 B ARG W 339 0.2756 0.7989 0.8272 0.0787 0.0028 0.0133 357 ARG c NH2 ? ? 1 +36179 N N A PHE W 340 0.3102 0.8587 0.8775 0.1237 0.0131 0.0051 358 PHE c N ? ? 1 +36180 N N B PHE W 340 0.3039 0.8511 0.8700 0.1234 0.0132 0.0051 358 PHE c N ? ? 1 +36181 C CA A PHE W 340 0.3208 0.8644 0.8820 0.1291 0.0166 0.0031 358 PHE c CA ? ? 1 +36182 C CA B PHE W 340 0.3146 0.8573 0.8750 0.1291 0.0167 0.0031 358 PHE c CA ? ? 1 +36183 C C A PHE W 340 0.3245 0.8754 0.8917 0.1385 0.0173 0.0015 358 PHE c C ? ? 1 +36184 C C B PHE W 340 0.3187 0.8683 0.8849 0.1385 0.0169 0.0016 358 PHE c C ? ? 1 +36185 O O A PHE W 340 0.3357 0.8802 0.8963 0.1445 0.0194 -0.0002 358 PHE c O ? ? 1 +36186 O O B PHE W 340 0.3308 0.8725 0.8894 0.1449 0.0184 0.0000 358 PHE c O ? ? 1 +36187 C CB A PHE W 340 0.3342 0.8578 0.8786 0.1292 0.0157 0.0029 358 PHE c CB ? ? 1 +36188 C CB B PHE W 340 0.3280 0.8508 0.8716 0.1291 0.0159 0.0028 358 PHE c CB ? ? 1 +36189 C CG A PHE W 340 0.3334 0.8490 0.8705 0.1210 0.0160 0.0036 358 PHE c CG ? ? 1 +36190 C CG B PHE W 340 0.3267 0.8420 0.8635 0.1207 0.0162 0.0036 358 PHE c CG ? ? 1 +36191 C CD1 A PHE W 340 0.3294 0.8502 0.8687 0.1175 0.0193 0.0032 358 PHE c CD1 ? ? 1 +36192 C CD1 B PHE W 340 0.3227 0.8433 0.8617 0.1173 0.0196 0.0032 358 PHE c CD1 ? ? 1 +36193 C CD2 A PHE W 340 0.3371 0.8398 0.8651 0.1167 0.0129 0.0046 358 PHE c CD2 ? ? 1 +36194 C CD2 B PHE W 340 0.3303 0.8329 0.8581 0.1164 0.0131 0.0046 358 PHE c CD2 ? ? 1 +36195 C CE1 A PHE W 340 0.3292 0.8426 0.8617 0.1104 0.0192 0.0038 358 PHE c CE1 ? ? 1 +36196 C CE1 B PHE W 340 0.3221 0.8357 0.8546 0.1100 0.0194 0.0037 358 PHE c CE1 ? ? 1 +36197 C CE2 A PHE W 340 0.3365 0.8326 0.8585 0.1093 0.0130 0.0050 358 PHE c CE2 ? ? 1 +36198 C CE2 B PHE W 340 0.3293 0.8257 0.8515 0.1088 0.0131 0.0050 358 PHE c CE2 ? ? 1 +36199 C CZ A PHE W 340 0.3324 0.8341 0.8568 0.1063 0.0159 0.0045 358 PHE c CZ ? ? 1 +36200 C CZ B PHE W 340 0.3253 0.8272 0.8498 0.1059 0.0160 0.0045 358 PHE c CZ ? ? 1 +36201 N N A TRP W 341 0.3154 0.8800 0.8954 0.1397 0.0153 0.0019 359 TRP c N ? ? 1 +36202 N N B TRP W 341 0.3092 0.8736 0.8891 0.1394 0.0154 0.0019 359 TRP c N ? ? 1 +36203 C CA A TRP W 341 0.3193 0.8912 0.9056 0.1487 0.0150 0.0002 359 TRP c CA ? ? 1 +36204 C CA B TRP W 341 0.3133 0.8852 0.8996 0.1483 0.0150 0.0003 359 TRP c CA ? ? 1 +36205 C C A TRP W 341 0.3208 0.9020 0.9131 0.1528 0.0202 -0.0019 359 TRP c C ? ? 1 +36206 C C B TRP W 341 0.3154 0.8966 0.9078 0.1527 0.0201 -0.0018 359 TRP c C ? ? 1 +36207 O O A TRP W 341 0.3267 0.9120 0.9223 0.1611 0.0206 -0.0037 359 TRP c O ? ? 1 +36208 O O B TRP W 341 0.3215 0.9066 0.9170 0.1610 0.0203 -0.0036 359 TRP c O ? ? 1 +36209 C CB A TRP W 341 0.3088 0.8941 0.9081 0.1487 0.0116 0.0009 359 TRP c CB ? ? 1 +36210 C CB B TRP W 341 0.3027 0.8881 0.9020 0.1481 0.0116 0.0010 359 TRP c CB ? ? 1 +36211 C CG A TRP W 341 0.2948 0.8975 0.9089 0.1438 0.0136 0.0010 359 TRP c CG ? ? 1 +36212 C CG B TRP W 341 0.2887 0.8916 0.9030 0.1434 0.0137 0.0011 359 TRP c CG ? ? 1 +36213 C CD1 A TRP W 341 0.2850 0.8900 0.9014 0.1348 0.0140 0.0027 359 TRP c CD1 ? ? 1 +36214 C CD1 B TRP W 341 0.2788 0.8843 0.8957 0.1344 0.0139 0.0028 359 TRP c CD1 ? ? 1 +36215 C CD2 A TRP W 341 0.2894 0.9095 0.9181 0.1477 0.0157 -0.0007 359 TRP c CD2 ? ? 1 +36216 C CD2 B TRP W 341 0.2838 0.9038 0.9124 0.1473 0.0160 -0.0007 359 TRP c CD2 ? ? 1 +36217 N NE1 A TRP W 341 0.2744 0.8964 0.9052 0.1328 0.0162 0.0023 359 TRP c NE1 ? ? 1 +36218 N NE1 B TRP W 341 0.2683 0.8908 0.8997 0.1325 0.0162 0.0024 359 TRP c NE1 ? ? 1 +36219 C CE2 A TRP W 341 0.2766 0.9083 0.9155 0.1403 0.0175 0.0002 359 TRP c CE2 ? ? 1 +36220 C CE2 B TRP W 341 0.2708 0.9026 0.9098 0.1401 0.0176 0.0002 359 TRP c CE2 ? ? 1 +36221 C CE3 A TRP W 341 0.2949 0.9220 0.9293 0.1566 0.0164 -0.0031 359 TRP c CE3 ? ? 1 +36222 C CE3 B TRP W 341 0.2897 0.9165 0.9236 0.1563 0.0168 -0.0031 359 TRP c CE3 ? ? 1 +36223 C CZ2 A TRP W 341 0.2691 0.9187 0.9235 0.1413 0.0200 -0.0012 359 TRP c CZ2 ? ? 1 +36224 C CZ2 B TRP W 341 0.2637 0.9135 0.9181 0.1411 0.0203 -0.0012 359 TRP c CZ2 ? ? 1 +36225 C CZ3 A TRP W 341 0.2868 0.9326 0.9372 0.1576 0.0188 -0.0045 359 TRP c CZ3 ? ? 1 +36226 C CZ3 B TRP W 341 0.2820 0.9274 0.9319 0.1574 0.0194 -0.0046 359 TRP c CZ3 ? ? 1 +36227 C CH2 A TRP W 341 0.2742 0.9309 0.9344 0.1498 0.0206 -0.0036 359 TRP c CH2 ? ? 1 +36228 C CH2 B TRP W 341 0.2691 0.9256 0.9290 0.1497 0.0212 -0.0036 359 TRP c CH2 ? ? 1 +36229 N N A ASP W 342 0.3168 0.9009 0.9102 0.1471 0.0241 -0.0017 360 ASP c N ? ? 1 +36230 N N B ASP W 342 0.3119 0.8964 0.9057 0.1472 0.0241 -0.0017 360 ASP c N ? ? 1 +36231 C CA A ASP W 342 0.3195 0.9107 0.9170 0.1502 0.0297 -0.0035 360 ASP c CA ? ? 1 +36232 C CA B ASP W 342 0.3158 0.9068 0.9131 0.1505 0.0296 -0.0035 360 ASP c CA ? ? 1 +36233 C C A ASP W 342 0.3355 0.9125 0.9192 0.1556 0.0318 -0.0050 360 ASP c C ? ? 1 +36234 C C B ASP W 342 0.3323 0.9090 0.9158 0.1558 0.0317 -0.0050 360 ASP c C ? ? 1 +36235 O O A ASP W 342 0.3397 0.9210 0.9252 0.1597 0.0365 -0.0068 360 ASP c O ? ? 1 +36236 O O B ASP W 342 0.3367 0.9176 0.9219 0.1599 0.0364 -0.0069 360 ASP c O ? ? 1 +36237 C CB A ASP W 342 0.3115 0.9085 0.9126 0.1423 0.0332 -0.0026 360 ASP c CB ? ? 1 +36238 C CB B ASP W 342 0.3085 0.9048 0.9090 0.1427 0.0332 -0.0027 360 ASP c CB ? ? 1 +36239 C CG A ASP W 342 0.2970 0.9067 0.9106 0.1363 0.0314 -0.0010 360 ASP c CG ? ? 1 +36240 C CG B ASP W 342 0.2942 0.9036 0.9074 0.1366 0.0317 -0.0011 360 ASP c CG ? ? 1 +36241 O OD1 A ASP W 342 0.2912 0.9150 0.9180 0.1393 0.0311 -0.0018 360 ASP c OD1 ? ? 1 +36242 O OD1 B ASP W 342 0.2887 0.9127 0.9154 0.1396 0.0318 -0.0020 360 ASP c OD1 ? ? 1 +36243 O OD2 A ASP W 342 0.2921 0.8976 0.9023 0.1286 0.0302 0.0009 360 ASP c OD2 ? ? 1 +36244 O OD2 B ASP W 342 0.2893 0.8943 0.8991 0.1290 0.0302 0.0008 360 ASP c OD2 ? ? 1 +36245 N N A PHE W 343 0.3448 0.9047 0.9146 0.1552 0.0286 -0.0043 361 PHE c N ? ? 1 +36246 N N B PHE W 343 0.3421 0.9016 0.9116 0.1555 0.0286 -0.0043 361 PHE c N ? ? 1 +36247 C CA A PHE W 343 0.3614 0.9060 0.9169 0.1600 0.0302 -0.0058 361 PHE c CA ? ? 1 +36248 C CA B PHE W 343 0.3588 0.9031 0.9141 0.1602 0.0302 -0.0058 361 PHE c CA ? ? 1 +36249 C C A PHE W 343 0.3694 0.9179 0.9280 0.1707 0.0312 -0.0079 361 PHE c C ? ? 1 +36250 C C B PHE W 343 0.3676 0.9154 0.9257 0.1710 0.0311 -0.0079 361 PHE c C ? ? 1 +36251 O O A PHE W 343 0.3668 0.9216 0.9324 0.1749 0.0280 -0.0079 361 PHE c O ? ? 1 +36252 O O B PHE W 343 0.3655 0.9190 0.9300 0.1752 0.0277 -0.0079 361 PHE c O ? ? 1 +36253 C CB A PHE W 343 0.3695 0.8951 0.9103 0.1578 0.0263 -0.0047 361 PHE c CB ? ? 1 +36254 C CB B PHE W 343 0.3667 0.8918 0.9070 0.1576 0.0263 -0.0047 361 PHE c CB ? ? 1 +36255 C CG A PHE W 343 0.3869 0.8968 0.9135 0.1642 0.0273 -0.0064 361 PHE c CG ? ? 1 +36256 C CG B PHE W 343 0.3840 0.8934 0.9101 0.1638 0.0275 -0.0063 361 PHE c CG ? ? 1 +36257 C CD1 A PHE W 343 0.3946 0.8959 0.9117 0.1628 0.0309 -0.0075 361 PHE c CD1 ? ? 1 +36258 C CD1 B PHE W 343 0.3914 0.8933 0.9089 0.1628 0.0313 -0.0076 361 PHE c CD1 ? ? 1 +36259 C CD2 A PHE W 343 0.3962 0.9003 0.9191 0.1721 0.0249 -0.0070 361 PHE c CD2 ? ? 1 +36260 C CD2 B PHE W 343 0.3936 0.8960 0.9151 0.1714 0.0248 -0.0069 361 PHE c CD2 ? ? 1 +36261 C CE1 A PHE W 343 0.4112 0.8982 0.9154 0.1689 0.0321 -0.0092 361 PHE c CE1 ? ? 1 +36262 C CE1 B PHE W 343 0.4078 0.8954 0.9123 0.1689 0.0325 -0.0093 361 PHE c CE1 ? ? 1 +36263 C CE2 A PHE W 343 0.4128 0.9023 0.9226 0.1783 0.0261 -0.0086 361 PHE c CE2 ? ? 1 +36264 C CE2 B PHE W 343 0.4102 0.8979 0.9185 0.1775 0.0261 -0.0085 361 PHE c CE2 ? ? 1 +36265 C CZ A PHE W 343 0.4202 0.9012 0.9208 0.1766 0.0297 -0.0098 361 PHE c CZ ? ? 1 +36266 C CZ B PHE W 343 0.4173 0.8977 0.9173 0.1761 0.0299 -0.0098 361 PHE c CZ ? ? 1 +36267 N N A ARG W 344 0.3805 0.9248 0.9334 0.1752 0.0356 -0.0099 362 ARG c N ? ? 1 +36268 N N B ARG W 344 0.3788 0.9231 0.9317 0.1755 0.0355 -0.0099 362 ARG c N ? ? 1 +36269 C CA A ARG W 344 0.3913 0.9365 0.9446 0.1858 0.0367 -0.0121 362 ARG c CA ? ? 1 +36270 C CA B ARG W 344 0.3900 0.9359 0.9438 0.1861 0.0368 -0.0122 362 ARG c CA ? ? 1 +36271 C C A ARG W 344 0.4087 0.9345 0.9442 0.1889 0.0382 -0.0133 362 ARG c C ? ? 1 +36272 C C B ARG W 344 0.4083 0.9354 0.9448 0.1895 0.0386 -0.0135 362 ARG c C ? ? 1 +36273 O O A ARG W 344 0.4120 0.9308 0.9398 0.1839 0.0409 -0.0132 362 ARG c O ? ? 1 +36274 O O B ARG W 344 0.4116 0.9339 0.9419 0.1856 0.0421 -0.0138 362 ARG c O ? ? 1 +36275 C CB A ARG W 344 0.3861 0.9497 0.9536 0.1891 0.0418 -0.0139 362 ARG c CB ? ? 1 +36276 C CB B ARG W 344 0.3839 0.9488 0.9526 0.1890 0.0417 -0.0139 362 ARG c CB ? ? 1 +36277 C CG A ARG W 344 0.3691 0.9525 0.9545 0.1844 0.0414 -0.0130 362 ARG c CG ? ? 1 +36278 C CG B ARG W 344 0.3668 0.9511 0.9532 0.1842 0.0411 -0.0129 362 ARG c CG ? ? 1 +36279 C CD A ARG W 344 0.3646 0.9562 0.9595 0.1883 0.0363 -0.0129 362 ARG c CD ? ? 1 +36280 C CD B ARG W 344 0.3630 0.9559 0.9590 0.1888 0.0363 -0.0130 362 ARG c CD ? ? 1 +36281 N NE A ARG W 344 0.3712 0.9706 0.9725 0.1987 0.0373 -0.0154 362 ARG c NE ? ? 1 +36282 N NE B ARG W 344 0.3702 0.9703 0.9720 0.1992 0.0376 -0.0156 362 ARG c NE ? ? 1 +36283 C CZ A ARG W 344 0.3662 0.9836 0.9824 0.2013 0.0411 -0.0173 362 ARG c CZ ? ? 1 +36284 C CZ B ARG W 344 0.3654 0.9833 0.9819 0.2018 0.0415 -0.0175 362 ARG c CZ ? ? 1 +36285 N NH1 A ARG W 344 0.3546 0.9844 0.9812 0.1942 0.0443 -0.0167 362 ARG c NH1 ? ? 1 +36286 N NH1 B ARG W 344 0.3534 0.9842 0.9808 0.1947 0.0445 -0.0169 362 ARG c NH1 ? ? 1 +36287 N NH2 A ARG W 344 0.3732 0.9962 0.9940 0.2112 0.0417 -0.0198 362 ARG c NH2 ? ? 1 +36288 N NH2 B ARG W 344 0.3730 0.9961 0.9937 0.2118 0.0424 -0.0201 362 ARG c NH2 ? ? 1 +36289 N N . GLY W 345 0.4213 0.9377 0.9497 0.1971 0.0361 -0.0143 363 GLY c N ? ? 1 +36290 C CA . GLY W 345 0.4384 0.9364 0.9500 0.2010 0.0376 -0.0156 363 GLY c CA ? ? 1 +36291 C C . GLY W 345 0.4500 0.9433 0.9582 0.2124 0.0365 -0.0173 363 GLY c C ? ? 1 +36292 O O . GLY W 345 0.4466 0.9462 0.9619 0.2162 0.0328 -0.0168 363 GLY c O ? ? 1 +36293 N N . PRO W 346 0.4654 0.9471 0.9622 0.2184 0.0395 -0.0194 364 PRO c N ? ? 1 +36294 C CA . PRO W 346 0.4779 0.9564 0.9722 0.2302 0.0391 -0.0213 364 PRO c CA ? ? 1 +36295 C CB . PRO W 346 0.4937 0.9577 0.9737 0.2335 0.0432 -0.0233 364 PRO c CB ? ? 1 +36296 C CG . PRO W 346 0.4915 0.9468 0.9632 0.2232 0.0444 -0.0222 364 PRO c CG ? ? 1 +36297 C CD . PRO W 346 0.4720 0.9428 0.9574 0.2144 0.0434 -0.0201 364 PRO c CD ? ? 1 +36298 C C . PRO W 346 0.4850 0.9522 0.9723 0.2337 0.0333 -0.0201 364 PRO c C ? ? 1 +36299 O O . PRO W 346 0.4885 0.9605 0.9803 0.2428 0.0315 -0.0211 364 PRO c O ? ? 1 +36300 N N A TRP W 347 0.4874 0.9399 0.9636 0.2264 0.0303 -0.0181 365 TRP c N ? ? 1 +36301 N N B TRP W 347 0.4875 0.9397 0.9634 0.2265 0.0304 -0.0181 365 TRP c N ? ? 1 +36302 C CA A TRP W 347 0.4954 0.9351 0.9630 0.2287 0.0253 -0.0168 365 TRP c CA ? ? 1 +36303 C CA B TRP W 347 0.4949 0.9344 0.9623 0.2285 0.0253 -0.0167 365 TRP c CA ? ? 1 +36304 C C A TRP W 347 0.4830 0.9359 0.9633 0.2276 0.0210 -0.0150 365 TRP c C ? ? 1 +36305 C C B TRP W 347 0.4825 0.9347 0.9622 0.2269 0.0209 -0.0149 365 TRP c C ? ? 1 +36306 O O A TRP W 347 0.4899 0.9357 0.9656 0.2323 0.0168 -0.0143 365 TRP c O ? ? 1 +36307 O O B TRP W 347 0.4889 0.9327 0.9631 0.2304 0.0167 -0.0139 365 TRP c O ? ? 1 +36308 C CB A TRP W 347 0.5019 0.9212 0.9534 0.2207 0.0240 -0.0153 365 TRP c CB ? ? 1 +36309 C CB B TRP W 347 0.5013 0.9204 0.9526 0.2206 0.0241 -0.0154 365 TRP c CB ? ? 1 +36310 C CG A TRP W 347 0.4869 0.9122 0.9436 0.2087 0.0241 -0.0136 365 TRP c CG ? ? 1 +36311 C CG B TRP W 347 0.4859 0.9112 0.9425 0.2086 0.0242 -0.0137 365 TRP c CG ? ? 1 +36312 C CD1 A TRP W 347 0.4825 0.9102 0.9394 0.2028 0.0278 -0.0142 365 TRP c CD1 ? ? 1 +36313 C CD1 B TRP W 347 0.4812 0.9088 0.9380 0.2026 0.0279 -0.0142 365 TRP c CD1 ? ? 1 +36314 C CD2 A TRP W 347 0.4749 0.9044 0.9371 0.2016 0.0204 -0.0111 365 TRP c CD2 ? ? 1 +36315 C CD2 B TRP W 347 0.4733 0.9035 0.9359 0.2017 0.0205 -0.0111 365 TRP c CD2 ? ? 1 +36316 N NE1 A TRP W 347 0.4688 0.9019 0.9310 0.1925 0.0264 -0.0122 365 TRP c NE1 ? ? 1 +36317 N NE1 B TRP W 347 0.4672 0.9006 0.9296 0.1924 0.0265 -0.0122 365 TRP c NE1 ? ? 1 +36318 C CE2 A TRP W 347 0.4636 0.8982 0.9294 0.1916 0.0219 -0.0103 365 TRP c CE2 ? ? 1 +36319 C CE2 B TRP W 347 0.4618 0.8971 0.9281 0.1916 0.0220 -0.0103 365 TRP c CE2 ? ? 1 +36320 C CE3 A TRP W 347 0.4732 0.9025 0.9371 0.2030 0.0158 -0.0094 365 TRP c CE3 ? ? 1 +36321 C CE3 B TRP W 347 0.4712 0.9016 0.9360 0.2032 0.0159 -0.0095 365 TRP c CE3 ? ? 1 +36322 C CZ2 A TRP W 347 0.4507 0.8902 0.9221 0.1830 0.0192 -0.0079 365 TRP c CZ2 ? ? 1 +36323 C CZ2 B TRP W 347 0.4484 0.8892 0.9208 0.1831 0.0193 -0.0080 365 TRP c CZ2 ? ? 1 +36324 C CZ3 A TRP W 347 0.4604 0.8945 0.9298 0.1944 0.0132 -0.0071 365 TRP c CZ3 ? ? 1 +36325 C CZ3 B TRP W 347 0.4582 0.8939 0.9288 0.1947 0.0133 -0.0071 365 TRP c CZ3 ? ? 1 +36326 C CH2 A TRP W 347 0.4491 0.8884 0.9224 0.1845 0.0149 -0.0064 365 TRP c CH2 ? ? 1 +36327 C CH2 B TRP W 347 0.4468 0.8878 0.9214 0.1848 0.0150 -0.0064 365 TRP c CH2 ? ? 1 +36328 N N . LEU W 348 0.4658 0.9373 0.9615 0.2215 0.0219 -0.0144 366 LEU c N ? ? 1 +36329 C CA . LEU W 348 0.4537 0.9385 0.9620 0.2194 0.0180 -0.0128 366 LEU c CA ? ? 1 +36330 C CB . LEU W 348 0.4387 0.9298 0.9526 0.2074 0.0184 -0.0109 366 LEU c CB ? ? 1 +36331 C CG . LEU W 348 0.4252 0.9281 0.9506 0.2034 0.0144 -0.0090 366 LEU c CG ? ? 1 +36332 C CD1 . LEU W 348 0.4327 0.9234 0.9494 0.2060 0.0091 -0.0076 366 LEU c CD1 ? ? 1 +36333 C CD2 . LEU W 348 0.4124 0.9190 0.9412 0.1915 0.0150 -0.0071 366 LEU c CD2 ? ? 1 +36334 C C . LEU W 348 0.4477 0.9533 0.9731 0.2265 0.0182 -0.0144 366 LEU c C ? ? 1 +36335 O O . LEU W 348 0.4440 0.9559 0.9758 0.2295 0.0139 -0.0138 366 LEU c O ? ? 1 +36336 N N . GLU W 349 0.4482 0.9642 0.9807 0.2292 0.0232 -0.0165 367 GLU c N ? ? 1 +36337 C CA . GLU W 349 0.4414 0.9792 0.9920 0.2344 0.0242 -0.0183 367 GLU c CA ? ? 1 +36338 C CB . GLU W 349 0.4425 0.9888 0.9983 0.2361 0.0310 -0.0205 367 GLU c CB ? ? 1 +36339 C CG . GLU W 349 0.4344 0.9833 0.9914 0.2254 0.0347 -0.0194 367 GLU c CG ? ? 1 +36340 C CD . GLU W 349 0.4197 0.9782 0.9863 0.2163 0.0318 -0.0170 367 GLU c CD ? ? 1 +36341 O OE1 . GLU W 349 0.4105 0.9877 0.9937 0.2175 0.0311 -0.0175 367 GLU c OE1 ? ? 1 +36342 O OE2 . GLU W 349 0.4186 0.9661 0.9764 0.2082 0.0301 -0.0148 367 GLU c OE2 ? ? 1 +36343 C C . GLU W 349 0.4486 0.9885 1.0015 0.2457 0.0205 -0.0196 367 GLU c C ? ? 1 +36344 O O . GLU W 349 0.4401 0.9973 1.0083 0.2477 0.0184 -0.0200 367 GLU c O ? ? 1 +36345 N N . PRO W 350 0.4660 0.9885 1.0041 0.2535 0.0194 -0.0203 368 PRO c N ? ? 1 +36346 C CA . PRO W 350 0.4734 0.9970 1.0128 0.2646 0.0154 -0.0214 368 PRO c CA ? ? 1 +36347 C CB . PRO W 350 0.4943 0.9933 1.0128 0.2701 0.0151 -0.0216 368 PRO c CB ? ? 1 +36348 C CG . PRO W 350 0.4975 0.9880 1.0077 0.2646 0.0207 -0.0219 368 PRO c CG ? ? 1 +36349 C CD . PRO W 350 0.4801 0.9809 0.9992 0.2524 0.0219 -0.0202 368 PRO c CD ? ? 1 +36350 C C . PRO W 350 0.4658 0.9938 1.0104 0.2632 0.0090 -0.0195 368 PRO c C ? ? 1 +36351 O O . PRO W 350 0.4670 1.0031 1.0184 0.2718 0.0056 -0.0207 368 PRO c O ? ? 1 +36352 N N . LEU W 351 0.4578 0.9802 0.9986 0.2528 0.0072 -0.0167 369 LEU c N ? ? 1 +36353 C CA . LEU W 351 0.4507 0.9765 0.9956 0.2506 0.0015 -0.0148 369 LEU c CA ? ? 1 +36354 C CB . LEU W 351 0.4531 0.9608 0.9837 0.2417 -0.0001 -0.0118 369 LEU c CB ? ? 1 +36355 C CG . LEU W 351 0.4727 0.9553 0.9823 0.2448 0.0000 -0.0115 369 LEU c CG ? ? 1 +36356 C CD1 . LEU W 351 0.4731 0.9401 0.9708 0.2349 -0.0014 -0.0086 369 LEU c CD1 ? ? 1 +36357 C CD2 . LEU W 351 0.4866 0.9624 0.9903 0.2563 -0.0038 -0.0122 369 LEU c CD2 ? ? 1 +36358 C C . LEU W 351 0.4307 0.9803 0.9960 0.2456 0.0014 -0.0149 369 LEU c C ? ? 1 +36359 O O . LEU W 351 0.4219 0.9776 0.9931 0.2441 -0.0032 -0.0137 369 LEU c O ? ? 1 +36360 N N . ARG W 352 0.4241 0.9868 0.9997 0.2430 0.0068 -0.0164 370 ARG c N ? ? 1 +36361 C CA . ARG W 352 0.4078 0.9924 1.0024 0.2376 0.0075 -0.0166 370 ARG c CA ? ? 1 +36362 C CB . ARG W 352 0.4020 0.9909 0.9995 0.2301 0.0139 -0.0167 370 ARG c CB ? ? 1 +36363 C CG . ARG W 352 0.3864 0.9855 0.9935 0.2193 0.0132 -0.0147 370 ARG c CG ? ? 1 +36364 C CD . ARG W 352 0.3794 0.9833 0.9897 0.2115 0.0189 -0.0145 370 ARG c CD ? ? 1 +36365 N NE . ARG W 352 0.3875 0.9722 0.9807 0.2075 0.0209 -0.0133 370 ARG c NE ? ? 1 +36366 C CZ . ARG W 352 0.3849 0.9589 0.9698 0.1993 0.0189 -0.0108 370 ARG c CZ ? ? 1 +36367 N NH1 . ARG W 352 0.3772 0.9543 0.9662 0.1951 0.0144 -0.0090 370 ARG c NH1 ? ? 1 +36368 N NH2 . ARG W 352 0.3918 0.9517 0.9637 0.1952 0.0216 -0.0103 370 ARG c NH2 ? ? 1 +36369 C C . ARG W 352 0.4062 1.0097 1.0167 0.2464 0.0065 -0.0193 370 ARG c C ? ? 1 +36370 O O . ARG W 352 0.4143 1.0179 1.0240 0.2556 0.0084 -0.0217 370 ARG c O ? ? 1 +36371 N N . GLY W 353 0.3940 1.0132 1.0188 0.2436 0.0033 -0.0190 371 GLY c N ? ? 1 +36372 C CA . GLY W 353 0.3896 1.0294 1.0320 0.2503 0.0022 -0.0218 371 GLY c CA ? ? 1 +36373 C C . GLY W 353 0.3727 1.0329 1.0332 0.2421 0.0046 -0.0220 371 GLY c C ? ? 1 +36374 O O . GLY W 353 0.3656 1.0230 1.0240 0.2322 0.0076 -0.0201 371 GLY c O ? ? 1 +36375 N N . PRO W 354 0.3666 1.0478 1.0456 0.2460 0.0034 -0.0244 372 PRO c N ? ? 1 +36376 C CA . PRO W 354 0.3499 1.0507 1.0465 0.2383 0.0060 -0.0249 372 PRO c CA ? ? 1 +36377 C CB . PRO W 354 0.3457 1.0665 1.0600 0.2455 0.0028 -0.0280 372 PRO c CB ? ? 1 +36378 C CG . PRO W 354 0.3588 1.0686 1.0630 0.2557 -0.0033 -0.0283 372 PRO c CG ? ? 1 +36379 C CD . PRO W 354 0.3728 1.0599 1.0565 0.2578 -0.0009 -0.0269 372 PRO c CD ? ? 1 +36380 C C . PRO W 354 0.3372 1.0353 1.0325 0.2271 0.0039 -0.0217 372 PRO c C ? ? 1 +36381 O O . PRO W 354 0.3266 1.0320 1.0286 0.2185 0.0081 -0.0211 372 PRO c O ? ? 1 +36382 N N . ASN W 355 0.3403 1.0274 1.0266 0.2273 -0.0024 -0.0198 373 ASN c N ? ? 1 +36383 C CA . ASN W 355 0.3313 1.0157 1.0162 0.2174 -0.0048 -0.0169 373 ASN c CA ? ? 1 +36384 C CB . ASN W 355 0.3337 1.0182 1.0190 0.2205 -0.0123 -0.0165 373 ASN c CB ? ? 1 +36385 C CG . ASN W 355 0.3287 1.0347 1.0329 0.2241 -0.0148 -0.0191 373 ASN c CG ? ? 1 +36386 O OD1 . ASN W 355 0.3384 1.0467 1.0440 0.2334 -0.0190 -0.0209 373 ASN c OD1 ? ? 1 +36387 N ND2 . ASN W 355 0.3176 1.0392 1.0363 0.2166 -0.0124 -0.0194 373 ASN c ND2 ? ? 1 +36388 C C . ASN W 355 0.3337 0.9975 1.0007 0.2108 -0.0034 -0.0139 373 ASN c C ? ? 1 +36389 O O . ASN W 355 0.3264 0.9852 0.9899 0.2037 -0.0061 -0.0114 373 ASN c O ? ? 1 +36390 N N . GLY W 356 0.3430 0.9951 0.9990 0.2133 0.0007 -0.0142 374 GLY c N ? ? 1 +36391 C CA . GLY W 356 0.3490 0.9804 0.9871 0.2084 0.0013 -0.0117 374 GLY c CA ? ? 1 +36392 C C . GLY W 356 0.3653 0.9787 0.9877 0.2162 -0.0018 -0.0116 374 GLY c C ? ? 1 +36393 O O . GLY W 356 0.3745 0.9902 0.9982 0.2262 -0.0023 -0.0138 374 GLY c O ? ? 1 +36394 N N . LEU W 357 0.3703 0.9655 0.9776 0.2117 -0.0038 -0.0091 375 LEU c N ? ? 1 +36395 C CA . LEU W 357 0.3868 0.9627 0.9775 0.2181 -0.0065 -0.0086 375 LEU c CA ? ? 1 +36396 C CB . LEU W 357 0.3887 0.9462 0.9646 0.2104 -0.0078 -0.0057 375 LEU c CB ? ? 1 +36397 C CG . LEU W 357 0.3883 0.9378 0.9572 0.2030 -0.0029 -0.0051 375 LEU c CG ? ? 1 +36398 C CD1 . LEU W 357 0.3918 0.9236 0.9467 0.1959 -0.0046 -0.0025 375 LEU c CD1 ? ? 1 +36399 C CD2 . LEU W 357 0.4011 0.9429 0.9623 0.2096 0.0009 -0.0071 375 LEU c CD2 ? ? 1 +36400 C C . LEU W 357 0.3903 0.9716 0.9856 0.2265 -0.0120 -0.0094 375 LEU c C ? ? 1 +36401 O O . LEU W 357 0.3796 0.9711 0.9841 0.2236 -0.0155 -0.0087 375 LEU c O ? ? 1 +36402 N N . ASP W 358 0.4076 0.9816 0.9959 0.2371 -0.0128 -0.0110 376 ASP c N ? ? 1 +36403 C CA . ASP W 358 0.4145 0.9936 1.0068 0.2467 -0.0180 -0.0122 376 ASP c CA ? ? 1 +36404 C CB . ASP W 358 0.4220 1.0080 1.0191 0.2576 -0.0160 -0.0155 376 ASP c CB ? ? 1 +36405 C CG . ASP W 358 0.4239 1.0222 1.0311 0.2671 -0.0211 -0.0174 376 ASP c CG ? ? 1 +36406 O OD1 . ASP W 358 0.4282 1.0188 1.0287 0.2693 -0.0269 -0.0160 376 ASP c OD1 ? ? 1 +36407 O OD2 . ASP W 358 0.4231 1.0388 1.0447 0.2725 -0.0193 -0.0205 376 ASP c OD2 ? ? 1 +36408 C C . ASP W 358 0.4297 0.9879 1.0042 0.2492 -0.0225 -0.0101 376 ASP c C ? ? 1 +36409 O O . ASP W 358 0.4436 0.9827 1.0019 0.2517 -0.0211 -0.0096 376 ASP c O ? ? 1 +36410 N N . LEU W 359 0.4291 0.9907 1.0066 0.2489 -0.0280 -0.0090 377 LEU c N ? ? 1 +36411 C CA . LEU W 359 0.4446 0.9867 1.0055 0.2501 -0.0322 -0.0066 377 LEU c CA ? ? 1 +36412 C CB . LEU W 359 0.4364 0.9866 1.0041 0.2478 -0.0375 -0.0055 377 LEU c CB ? ? 1 +36413 C CG . LEU W 359 0.4477 0.9784 0.9988 0.2466 -0.0413 -0.0026 377 LEU c CG ? ? 1 +36414 C CD1 . LEU W 359 0.4497 0.9632 0.9876 0.2365 -0.0376 0.0000 377 LEU c CD1 ? ? 1 +36415 C CD2 . LEU W 359 0.4384 0.9788 0.9974 0.2439 -0.0462 -0.0016 377 LEU c CD2 ? ? 1 +36416 C C . LEU W 359 0.4697 0.9996 1.0193 0.2625 -0.0341 -0.0078 377 LEU c C ? ? 1 +36417 O O . LEU W 359 0.4838 0.9916 1.0148 0.2633 -0.0347 -0.0060 377 LEU c O ? ? 1 +36418 N N . ASN W 360 0.4774 1.0217 1.0383 0.2722 -0.0351 -0.0108 378 ASN c N ? ? 1 +36419 C CA . ASN W 360 0.5007 1.0349 1.0520 0.2848 -0.0369 -0.0122 378 ASN c CA ? ? 1 +36420 C CB . ASN W 360 0.5071 1.0621 1.0751 0.2946 -0.0386 -0.0157 378 ASN c CB ? ? 1 +36421 C CG . ASN W 360 0.5112 1.0764 1.0871 0.2974 -0.0454 -0.0157 378 ASN c CG ? ? 1 +36422 O OD1 . ASN W 360 0.5056 1.0933 1.1008 0.2958 -0.0461 -0.0174 378 ASN c OD1 ? ? 1 +36423 N ND2 . ASN W 360 0.5274 1.0757 1.0882 0.3014 -0.0505 -0.0138 378 ASN c ND2 ? ? 1 +36424 C C . ASN W 360 0.5096 1.0279 1.0477 0.2859 -0.0317 -0.0124 378 ASN c C ? ? 1 +36425 O O . ASN W 360 0.5254 1.0232 1.0459 0.2915 -0.0330 -0.0117 378 ASN c O ? ? 1 +36426 N N . LYS W 361 0.4991 1.0265 1.0453 0.2807 -0.0259 -0.0136 379 LYS c N ? ? 1 +36427 C CA . LYS W 361 0.5095 1.0226 1.0437 0.2811 -0.0208 -0.0140 379 LYS c CA ? ? 1 +36428 C CB . LYS W 361 0.5001 1.0284 1.0470 0.2765 -0.0148 -0.0158 379 LYS c CB ? ? 1 +36429 C CG . LYS W 361 0.4992 1.0479 1.0626 0.2851 -0.0140 -0.0192 379 LYS c CG ? ? 1 +36430 C CD . LYS W 361 0.4908 1.0545 1.0667 0.2800 -0.0076 -0.0207 379 LYS c CD ? ? 1 +36431 C CE . LYS W 361 0.4888 1.0754 1.0837 0.2878 -0.0073 -0.0241 379 LYS c CE ? ? 1 +36432 N NZ . LYS W 361 0.4777 1.0815 1.0871 0.2818 -0.0012 -0.0254 379 LYS c NZ ? ? 1 +36433 C C . LYS W 361 0.5137 1.0037 1.0293 0.2732 -0.0204 -0.0110 379 LYS c C ? ? 1 +36434 O O . LYS W 361 0.5308 1.0015 1.0301 0.2765 -0.0188 -0.0110 379 LYS c O ? ? 1 +36435 N N . ILE W 362 0.4981 0.9901 1.0162 0.2630 -0.0218 -0.0086 380 ILE c N ? ? 1 +36436 C CA . ILE W 362 0.5025 0.9738 1.0042 0.2554 -0.0218 -0.0058 380 ILE c CA ? ? 1 +36437 C CB . ILE W 362 0.4847 0.9638 0.9939 0.2436 -0.0225 -0.0037 380 ILE c CB ? ? 1 +36438 C CG1 . ILE W 362 0.4697 0.9617 0.9899 0.2354 -0.0176 -0.0044 380 ILE c CG1 ? ? 1 +36439 C CG2 . ILE W 362 0.4911 0.9498 0.9842 0.2373 -0.0238 -0.0008 380 ILE c CG2 ? ? 1 +36440 C CD1 . ILE W 362 0.4515 0.9570 0.9838 0.2261 -0.0184 -0.0030 380 ILE c CD1 ? ? 1 +36441 C C . ILE W 362 0.5205 0.9722 1.0056 0.2624 -0.0259 -0.0047 380 ILE c C ? ? 1 +36442 O O . ILE W 362 0.5355 0.9658 1.0032 0.2623 -0.0244 -0.0039 380 ILE c O ? ? 1 +36443 N N . LYS W 363 0.5200 0.9789 1.0104 0.2688 -0.0311 -0.0047 381 LYS c N ? ? 1 +36444 C CA . LYS W 363 0.5381 0.9790 1.0128 0.2759 -0.0354 -0.0034 381 LYS c CA ? ? 1 +36445 C CB . LYS W 363 0.5333 0.9869 1.0175 0.2810 -0.0414 -0.0035 381 LYS c CB ? ? 1 +36446 C CG . LYS W 363 0.5194 0.9796 1.0096 0.2712 -0.0434 -0.0013 381 LYS c CG ? ? 1 +36447 C CD . LYS W 363 0.5198 0.9893 1.0163 0.2775 -0.0497 -0.0015 381 LYS c CD ? ? 1 +36448 C CE . LYS W 363 0.5067 0.9850 1.0109 0.2682 -0.0518 0.0003 381 LYS c CE ? ? 1 +36449 N NZ . LYS W 363 0.5088 0.9947 1.0177 0.2748 -0.0584 0.0000 381 LYS c NZ ? ? 1 +36450 C C . LYS W 363 0.5585 0.9861 1.0214 0.2873 -0.0347 -0.0051 381 LYS c C ? ? 1 +36451 O O . LYS W 363 0.5760 0.9818 1.0207 0.2907 -0.0365 -0.0036 381 LYS c O ? ? 1 +36452 N N . ASN W 364 0.5583 0.9983 1.0310 0.2933 -0.0321 -0.0081 382 ASN c N ? ? 1 +36453 C CA . ASN W 364 0.5783 1.0086 1.0420 0.3058 -0.0320 -0.0100 382 ASN c CA ? ? 1 +36454 C CB . ASN W 364 0.5756 1.0260 1.0548 0.3167 -0.0352 -0.0127 382 ASN c CB ? ? 1 +36455 C CG . ASN W 364 0.5724 1.0295 1.0565 0.3177 -0.0416 -0.0115 382 ASN c CG ? ? 1 +36456 O OD1 . ASN W 364 0.5567 1.0361 1.0594 0.3151 -0.0431 -0.0123 382 ASN c OD1 ? ? 1 +36457 N ND2 . ASN W 364 0.5881 1.0248 1.0547 0.3208 -0.0454 -0.0093 382 ASN c ND2 ? ? 1 +36458 C C . ASN W 364 0.5848 1.0084 1.0432 0.3062 -0.0261 -0.0117 382 ASN c C ? ? 1 +36459 O O . ASN W 364 0.6033 1.0090 1.0465 0.3137 -0.0258 -0.0122 382 ASN c O ? ? 1 +36460 N N . ASP W 365 0.5719 1.0087 1.0417 0.2982 -0.0214 -0.0125 383 ASP c N ? ? 1 +36461 C CA . ASP W 365 0.5784 1.0154 1.0480 0.3005 -0.0159 -0.0149 383 ASP c CA ? ? 1 +36462 C CB . ASP W 365 0.5665 1.0313 1.0587 0.3020 -0.0138 -0.0174 383 ASP c CB ? ? 1 +36463 C CG . ASP W 365 0.5694 1.0484 1.0727 0.3133 -0.0180 -0.0193 383 ASP c CG ? ? 1 +36464 O OD1 . ASP W 365 0.5878 1.0536 1.0795 0.3234 -0.0213 -0.0195 383 ASP c OD1 ? ? 1 +36465 O OD2 . ASP W 365 0.5570 1.0598 1.0802 0.3119 -0.0183 -0.0205 383 ASP c OD2 ? ? 1 +36466 C C . ASP W 365 0.5771 1.0023 1.0376 0.2903 -0.0110 -0.0140 383 ASP c C ? ? 1 +36467 O O . ASP W 365 0.5771 1.0045 1.0389 0.2911 -0.0062 -0.0160 383 ASP c O ? ? 1 +36468 N N . ILE W 366 0.5773 0.9899 1.0285 0.2808 -0.0122 -0.0111 384 ILE c N ? ? 1 +36469 C CA . ILE W 366 0.5788 0.9782 1.0197 0.2713 -0.0083 -0.0103 384 ILE c CA ? ? 1 +36470 C CB . ILE W 366 0.5711 0.9649 1.0088 0.2596 -0.0101 -0.0072 384 ILE c CB ? ? 1 +36471 C CG1 . ILE W 366 0.5477 0.9656 1.0055 0.2537 -0.0112 -0.0066 384 ILE c CG1 ? ? 1 +36472 C CG2 . ILE W 366 0.5743 0.9533 1.0006 0.2501 -0.0064 -0.0066 384 ILE c CG2 ? ? 1 +36473 C CD1 . ILE W 366 0.5373 0.9522 0.9939 0.2417 -0.0123 -0.0039 384 ILE c CD1 ? ? 1 +36474 C C . ILE W 366 0.6031 0.9788 1.0243 0.2774 -0.0070 -0.0111 384 ILE c C ? ? 1 +36475 O O . ILE W 366 0.6172 0.9759 1.0248 0.2816 -0.0101 -0.0098 384 ILE c O ? ? 1 +36476 N N . GLN W 367 0.6088 0.9834 1.0284 0.2779 -0.0021 -0.0132 385 GLN c N ? ? 1 +36477 C CA . GLN W 367 0.6316 0.9845 1.0331 0.2833 -0.0002 -0.0143 385 GLN c CA ? ? 1 +36478 C CB . GLN W 367 0.6364 0.9979 1.0434 0.2889 0.0044 -0.0175 385 GLN c CB ? ? 1 +36479 C CG . GLN W 367 0.6360 1.0163 1.0576 0.2999 0.0033 -0.0194 385 GLN c CG ? ? 1 +36480 C CD . GLN W 367 0.6554 1.0247 1.0681 0.3101 -0.0015 -0.0190 385 GLN c CD ? ? 1 +36481 O OE1 . GLN W 367 0.6544 1.0324 1.0745 0.3112 -0.0061 -0.0177 385 GLN c OE1 ? ? 1 +36482 N NE2 . GLN W 367 0.6777 1.0266 1.0733 0.3175 -0.0007 -0.0199 385 GLN c NE2 ? ? 1 +36483 C C . GLN W 367 0.6361 0.9693 1.0226 0.2729 0.0012 -0.0127 385 GLN c C ? ? 1 +36484 O O . GLN W 367 0.6218 0.9617 1.0145 0.2617 0.0021 -0.0115 385 GLN c O ? ? 1 +36485 N N . PRO W 368 0.6566 0.9650 1.0233 0.2762 0.0015 -0.0129 386 PRO c N ? ? 1 +36486 C CA . PRO W 368 0.6623 0.9516 1.0146 0.2663 0.0031 -0.0119 386 PRO c CA ? ? 1 +36487 C CB . PRO W 368 0.6885 0.9524 1.0203 0.2740 0.0031 -0.0125 386 PRO c CB ? ? 1 +36488 C CG . PRO W 368 0.6956 0.9642 1.0304 0.2869 -0.0002 -0.0127 386 PRO c CG ? ? 1 +36489 C CD . PRO W 368 0.6767 0.9740 1.0337 0.2895 0.0002 -0.0141 386 PRO c CD ? ? 1 +36490 C C . PRO W 368 0.6519 0.9466 1.0080 0.2582 0.0076 -0.0132 386 PRO c C ? ? 1 +36491 O O . PRO W 368 0.6473 0.9361 0.9997 0.2471 0.0081 -0.0120 386 PRO c O ? ? 1 +36492 N N . TRP W 369 0.6471 0.9534 1.0108 0.2638 0.0108 -0.0158 387 TRP c N ? ? 1 +36493 C CA . TRP W 369 0.6386 0.9490 1.0045 0.2570 0.0151 -0.0171 387 TRP c CA ? ? 1 +36494 C CB . TRP W 369 0.6422 0.9604 1.0123 0.2658 0.0190 -0.0202 387 TRP c CB ? ? 1 +36495 C CG . TRP W 369 0.6285 0.9725 1.0188 0.2710 0.0191 -0.0209 387 TRP c CG ? ? 1 +36496 C CD1 . TRP W 369 0.6315 0.9826 1.0275 0.2823 0.0169 -0.0217 387 TRP c CD1 ? ? 1 +36497 N NE1 . TRP W 369 0.6143 0.9911 1.0307 0.2835 0.0178 -0.0224 387 TRP c NE1 ? ? 1 +36498 C CE2 . TRP W 369 0.5997 0.9858 1.0232 0.2731 0.0208 -0.0221 387 TRP c CE2 ? ? 1 +36499 C CZ2 . TRP W 369 0.5812 0.9912 1.0236 0.2699 0.0230 -0.0225 387 TRP c CZ2 ? ? 1 +36500 C CH2 . TRP W 369 0.5714 0.9845 1.0159 0.2590 0.0258 -0.0218 387 TRP c CH2 ? ? 1 +36501 C CZ3 . TRP W 369 0.5786 0.9726 1.0075 0.2515 0.0262 -0.0209 387 TRP c CZ3 ? ? 1 +36502 C CE3 . TRP W 369 0.5970 0.9679 1.0079 0.2543 0.0241 -0.0207 387 TRP c CE3 ? ? 1 +36503 C CD2 . TRP W 369 0.6086 0.9748 1.0162 0.2653 0.0215 -0.0211 387 TRP c CD2 ? ? 1 +36504 C C . TRP W 369 0.6133 0.9419 0.9944 0.2463 0.0150 -0.0156 387 TRP c C ? ? 1 +36505 O O . TRP W 369 0.6069 0.9339 0.9864 0.2374 0.0173 -0.0157 387 TRP c O ? ? 1 +36506 N N . GLN W 370 0.5975 0.9429 0.9929 0.2476 0.0121 -0.0143 388 GLN c N ? ? 1 +36507 C CA . GLN W 370 0.5746 0.9370 0.9843 0.2380 0.0116 -0.0127 388 GLN c CA ? ? 1 +36508 C CB . GLN W 370 0.5631 0.9462 0.9898 0.2428 0.0090 -0.0124 388 GLN c CB ? ? 1 +36509 C CG . GLN W 370 0.5632 0.9620 1.0011 0.2514 0.0118 -0.0150 388 GLN c CG ? ? 1 +36510 C CD . GLN W 370 0.5544 0.9720 1.0080 0.2573 0.0088 -0.0151 388 GLN c CD ? ? 1 +36511 O OE1 . GLN W 370 0.5644 0.9763 1.0137 0.2655 0.0052 -0.0150 388 GLN c OE1 ? ? 1 +36512 N NE2 . GLN W 370 0.5368 0.9767 1.0085 0.2535 0.0102 -0.0154 388 GLN c NE2 ? ? 1 +36513 C C . GLN W 370 0.5709 0.9213 0.9727 0.2279 0.0091 -0.0102 388 GLN c C ? ? 1 +36514 O O . GLN W 370 0.5567 0.9125 0.9632 0.2177 0.0101 -0.0093 388 GLN c O ? ? 1 +36515 N N . GLU W 371 0.5821 0.9163 0.9719 0.2311 0.0061 -0.0090 389 GLU c N ? ? 1 +36516 C CA . GLU W 371 0.5829 0.9031 0.9632 0.2221 0.0043 -0.0067 389 GLU c CA ? ? 1 +36517 C CB . GLU W 371 0.6000 0.9042 0.9683 0.2282 0.0010 -0.0055 389 GLU c CB ? ? 1 +36518 C CG . GLU W 371 0.6049 0.8944 0.9632 0.2194 -0.0007 -0.0030 389 GLU c CG ? ? 1 +36519 C CD . GLU W 371 0.6218 0.8953 0.9679 0.2253 -0.0038 -0.0016 389 GLU c CD ? ? 1 +36520 O OE1 . GLU W 371 0.6299 0.9056 0.9766 0.2367 -0.0054 -0.0022 389 GLU c OE1 ? ? 1 +36521 O OE2 . GLU W 371 0.6301 0.8886 0.9657 0.2184 -0.0045 0.0002 389 GLU c OE2 ? ? 1 +36522 C C . GLU W 371 0.5878 0.8934 0.9564 0.2148 0.0072 -0.0076 389 GLU c C ? ? 1 +36523 O O . GLU W 371 0.5793 0.8845 0.9487 0.2040 0.0072 -0.0064 389 GLU c O ? ? 1 +36524 N N . ARG W 372 0.6012 0.8948 0.9591 0.2208 0.0097 -0.0098 390 ARG c N ? ? 1 +36525 C CA . ARG W 372 0.6060 0.8867 0.9532 0.2149 0.0126 -0.0112 390 ARG c CA ? ? 1 +36526 C CB . ARG W 372 0.6234 0.8923 0.9595 0.2238 0.0152 -0.0139 390 ARG c CB ? ? 1 +36527 C CG . ARG W 372 0.6452 0.8892 0.9625 0.2283 0.0140 -0.0139 390 ARG c CG ? ? 1 +36528 C CD . ARG W 372 0.6621 0.8926 0.9670 0.2342 0.0171 -0.0168 390 ARG c CD ? ? 1 +36529 N NE . ARG W 372 0.6599 0.9038 0.9734 0.2447 0.0190 -0.0187 390 ARG c NE ? ? 1 +36530 C CZ . ARG W 372 0.6676 0.9118 0.9810 0.2565 0.0177 -0.0190 390 ARG c CZ ? ? 1 +36531 N NH1 . ARG W 372 0.6752 0.9100 0.9826 0.2594 0.0141 -0.0171 390 ARG c NH1 ? ? 1 +36532 N NH2 . ARG W 372 0.6687 0.9226 0.9879 0.2657 0.0202 -0.0214 390 ARG c NH2 ? ? 1 +36533 C C . ARG W 372 0.5876 0.8843 0.9465 0.2068 0.0148 -0.0117 390 ARG c C ? ? 1 +36534 O O . ARG W 372 0.5839 0.8754 0.9394 0.1966 0.0149 -0.0111 390 ARG c O ? ? 1 +36535 N N A ARG W 373 0.5764 0.8918 0.9486 0.2118 0.0167 -0.0129 391 ARG c N ? ? 1 +36536 N N B ARG W 373 0.5765 0.8932 0.9498 0.2114 0.0164 -0.0126 391 ARG c N ? ? 1 +36537 C CA A ARG W 373 0.5603 0.8907 0.9431 0.2056 0.0193 -0.0134 391 ARG c CA ? ? 1 +36538 C CA B ARG W 373 0.5602 0.8926 0.9450 0.2047 0.0187 -0.0130 391 ARG c CA ? ? 1 +36539 C C A ARG W 373 0.5419 0.8816 0.9336 0.1948 0.0172 -0.0111 391 ARG c C ? ? 1 +36540 C C B ARG W 373 0.5406 0.8832 0.9351 0.1944 0.0166 -0.0106 391 ARG c C ? ? 1 +36541 O O A ARG W 373 0.5356 0.8754 0.9270 0.1861 0.0185 -0.0111 391 ARG c O ? ? 1 +36542 O O B ARG W 373 0.5331 0.8773 0.9284 0.1857 0.0178 -0.0106 391 ARG c O ? ? 1 +36543 C CB A ARG W 373 0.5513 0.9021 0.9488 0.2130 0.0214 -0.0147 391 ARG c CB ? ? 1 +36544 C CB B ARG W 373 0.5541 0.9056 0.9524 0.2122 0.0212 -0.0145 391 ARG c CB ? ? 1 +36545 C CG A ARG W 373 0.5402 0.9033 0.9456 0.2081 0.0252 -0.0157 391 ARG c CG ? ? 1 +36546 C CG B ARG W 373 0.5679 0.9130 0.9586 0.2178 0.0253 -0.0173 391 ARG c CG ? ? 1 +36547 C CD A ARG W 373 0.5540 0.9070 0.9489 0.2120 0.0291 -0.0184 391 ARG c CD ? ? 1 +36548 C CD B ARG W 373 0.5667 0.9085 0.9533 0.2090 0.0280 -0.0180 391 ARG c CD ? ? 1 +36549 N NE A ARG W 373 0.5590 0.9192 0.9585 0.2235 0.0312 -0.0202 391 ARG c NE ? ? 1 +36550 N NE B ARG W 373 0.5875 0.9075 0.9557 0.2102 0.0293 -0.0198 391 ARG c NE ? ? 1 +36551 C CZ A ARG W 373 0.5736 0.9251 0.9641 0.2300 0.0344 -0.0227 391 ARG c CZ ? ? 1 +36552 C CZ B ARG W 373 0.5947 0.9114 0.9576 0.2108 0.0331 -0.0220 391 ARG c CZ ? ? 1 +36553 N NH1 A ARG W 373 0.5847 0.9195 0.9606 0.2261 0.0360 -0.0238 391 ARG c NH1 ? ? 1 +36554 N NH1 B ARG W 373 0.5854 0.9190 0.9596 0.2120 0.0364 -0.0229 391 ARG c NH1 ? ? 1 +36555 N NH2 A ARG W 373 0.5780 0.9375 0.9741 0.2407 0.0361 -0.0244 391 ARG c NH2 ? ? 1 +36556 N NH2 B ARG W 373 0.6121 0.9078 0.9577 0.2101 0.0336 -0.0235 391 ARG c NH2 ? ? 1 +36557 N N A ALA W 374 0.5333 0.8806 0.9328 0.1957 0.0139 -0.0091 392 ALA c N ? ? 1 +36558 N N B ALA W 374 0.5321 0.8817 0.9338 0.1956 0.0132 -0.0086 392 ALA c N ? ? 1 +36559 C CA A ALA W 374 0.5161 0.8731 0.9248 0.1866 0.0119 -0.0068 392 ALA c CA ? ? 1 +36560 C CA B ALA W 374 0.5151 0.8731 0.9250 0.1863 0.0111 -0.0063 392 ALA c CA ? ? 1 +36561 C C A ALA W 374 0.5205 0.8612 0.9177 0.1773 0.0108 -0.0057 392 ALA c C ? ? 1 +36562 C C B ALA W 374 0.5200 0.8611 0.9177 0.1772 0.0104 -0.0055 392 ALA c C ? ? 1 +36563 O O A ALA W 374 0.5085 0.8551 0.9108 0.1679 0.0108 -0.0049 392 ALA c O ? ? 1 +36564 O O B ALA W 374 0.5078 0.8547 0.9106 0.1677 0.0104 -0.0046 392 ALA c O ? ? 1 +36565 C CB A ALA W 374 0.5096 0.8757 0.9268 0.1906 0.0084 -0.0051 392 ALA c CB ? ? 1 +36566 C CB B ALA W 374 0.5098 0.8748 0.9266 0.1900 0.0075 -0.0046 392 ALA c CB ? ? 1 +36567 N N . ALA W 375 0.5382 0.8583 0.9198 0.1802 0.0099 -0.0059 393 ALA c N ? ? 1 +36568 C CA . ALA W 375 0.5444 0.8474 0.9139 0.1718 0.0092 -0.0052 393 ALA c CA ? ? 1 +36569 C CB . ALA W 375 0.5648 0.8464 0.9184 0.1770 0.0081 -0.0050 393 ALA c CB ? ? 1 +36570 C C . ALA W 375 0.5455 0.8435 0.9100 0.1658 0.0118 -0.0070 393 ALA c C ? ? 1 +36571 O O . ALA W 375 0.5396 0.8358 0.9037 0.1558 0.0113 -0.0065 393 ALA c O ? ? 1 +36572 N N A GLU W 376 0.5536 0.8500 0.9146 0.1722 0.0145 -0.0094 394 GLU c N ? ? 1 +36573 N N B GLU W 376 0.5532 0.8490 0.9138 0.1721 0.0145 -0.0094 394 GLU c N ? ? 1 +36574 C CA A GLU W 376 0.5560 0.8487 0.9123 0.1678 0.0170 -0.0114 394 GLU c CA ? ? 1 +36575 C CA B GLU W 376 0.5548 0.8473 0.9110 0.1674 0.0170 -0.0114 394 GLU c CA ? ? 1 +36576 C C A GLU W 376 0.5361 0.8471 0.9061 0.1603 0.0176 -0.0109 394 GLU c C ? ? 1 +36577 C C B GLU W 376 0.5340 0.8451 0.9042 0.1600 0.0174 -0.0107 394 GLU c C ? ? 1 +36578 O O A GLU W 376 0.5344 0.8416 0.9013 0.1517 0.0177 -0.0112 394 GLU c O ? ? 1 +36579 O O B GLU W 376 0.5311 0.8389 0.8990 0.1508 0.0172 -0.0108 394 GLU c O ? ? 1 +36580 C CB A GLU W 376 0.5678 0.8577 0.9194 0.1774 0.0200 -0.0140 394 GLU c CB ? ? 1 +36581 C CB B GLU W 376 0.5667 0.8562 0.9179 0.1768 0.0200 -0.0140 394 GLU c CB ? ? 1 +36582 C CG A GLU W 376 0.5716 0.8582 0.9180 0.1740 0.0229 -0.0163 394 GLU c CG ? ? 1 +36583 C CG B GLU W 376 0.5693 0.8569 0.9164 0.1734 0.0230 -0.0163 394 GLU c CG ? ? 1 +36584 C CD A GLU W 376 0.5859 0.8512 0.9162 0.1679 0.0224 -0.0174 394 GLU c CD ? ? 1 +36585 C CD B GLU W 376 0.5835 0.8503 0.9146 0.1675 0.0228 -0.0175 394 GLU c CD ? ? 1 +36586 O OE1 A GLU W 376 0.5954 0.8465 0.9170 0.1672 0.0204 -0.0164 394 GLU c OE1 ? ? 1 +36587 O OE1 B GLU W 376 0.5934 0.8450 0.9150 0.1662 0.0207 -0.0168 394 GLU c OE1 ? ? 1 +36588 O OE2 A GLU W 376 0.5879 0.8507 0.9142 0.1636 0.0241 -0.0192 394 GLU c OE2 ? ? 1 +36589 O OE2 B GLU W 376 0.5853 0.8506 0.9130 0.1642 0.0247 -0.0194 394 GLU c OE2 ? ? 1 +36590 N N A TYR W 377 0.5216 0.8524 0.9068 0.1637 0.0179 -0.0100 395 TYR c N ? ? 1 +36591 N N B TYR W 377 0.5201 0.8507 0.9050 0.1639 0.0180 -0.0101 395 TYR c N ? ? 1 +36592 C CA A TYR W 377 0.5039 0.8522 0.9019 0.1578 0.0189 -0.0096 395 TYR c CA ? ? 1 +36593 C CA B TYR W 377 0.5018 0.8501 0.8998 0.1580 0.0189 -0.0096 395 TYR c CA ? ? 1 +36594 C C A TYR W 377 0.4915 0.8438 0.8950 0.1482 0.0160 -0.0073 395 TYR c C ? ? 1 +36595 C C B TYR W 377 0.4887 0.8419 0.8928 0.1487 0.0161 -0.0073 395 TYR c C ? ? 1 +36596 O O A TYR W 377 0.4826 0.8404 0.8899 0.1405 0.0164 -0.0072 395 TYR c O ? ? 1 +36597 O O B TYR W 377 0.4786 0.8390 0.8878 0.1412 0.0166 -0.0071 395 TYR c O ? ? 1 +36598 C CB A TYR W 377 0.4935 0.8613 0.9060 0.1643 0.0203 -0.0096 395 TYR c CB ? ? 1 +36599 C CB B TYR W 377 0.4919 0.8596 0.9042 0.1647 0.0205 -0.0097 395 TYR c CB ? ? 1 +36600 C CG A TYR W 377 0.5017 0.8700 0.9118 0.1716 0.0242 -0.0121 395 TYR c CG ? ? 1 +36601 C CG B TYR W 377 0.5007 0.8683 0.9101 0.1722 0.0243 -0.0123 395 TYR c CG ? ? 1 +36602 C CD1 A TYR W 377 0.5162 0.8688 0.9121 0.1714 0.0261 -0.0141 395 TYR c CD1 ? ? 1 +36603 C CD1 B TYR W 377 0.5161 0.8671 0.9107 0.1725 0.0261 -0.0143 395 TYR c CD1 ? ? 1 +36604 C CD2 A TYR W 377 0.4954 0.8799 0.9175 0.1787 0.0260 -0.0126 395 TYR c CD2 ? ? 1 +36605 C CD2 B TYR W 377 0.4940 0.8781 0.9157 0.1790 0.0263 -0.0128 395 TYR c CD2 ? ? 1 +36606 C CE1 A TYR W 377 0.5246 0.8773 0.9178 0.1783 0.0298 -0.0165 395 TYR c CE1 ? ? 1 +36607 C CE1 B TYR W 377 0.5250 0.8756 0.9166 0.1795 0.0298 -0.0166 395 TYR c CE1 ? ? 1 +36608 C CE2 A TYR W 377 0.5033 0.8886 0.9235 0.1854 0.0299 -0.0150 395 TYR c CE2 ? ? 1 +36609 C CE2 B TYR W 377 0.5025 0.8870 0.9219 0.1859 0.0302 -0.0152 395 TYR c CE2 ? ? 1 +36610 C CZ A TYR W 377 0.5181 0.8872 0.9235 0.1854 0.0319 -0.0169 395 TYR c CZ ? ? 1 +36611 C CZ B TYR W 377 0.5180 0.8855 0.9221 0.1863 0.0320 -0.0171 395 TYR c CZ ? ? 1 +36612 O OH A TYR W 377 0.5265 0.8962 0.9297 0.1922 0.0360 -0.0192 395 TYR c OH ? ? 1 +36613 O OH B TYR W 377 0.5275 0.8948 0.9287 0.1933 0.0360 -0.0195 395 TYR c OH ? ? 1 +36614 N N A MET W 378 0.4919 0.8413 0.8954 0.1491 0.0132 -0.0055 396 MET c N ? ? 1 +36615 N N B MET W 378 0.4898 0.8389 0.8931 0.1494 0.0133 -0.0056 396 MET c N ? ? 1 +36616 C CA A MET W 378 0.4815 0.8332 0.8891 0.1406 0.0106 -0.0034 396 MET c CA ? ? 1 +36617 C CA B MET W 378 0.4794 0.8307 0.8866 0.1408 0.0107 -0.0034 396 MET c CA ? ? 1 +36618 C C A MET W 378 0.4874 0.8245 0.8841 0.1320 0.0105 -0.0039 396 MET c C ? ? 1 +36619 C C B MET W 378 0.4849 0.8217 0.8813 0.1322 0.0105 -0.0040 396 MET c C ? ? 1 +36620 O O A MET W 378 0.4764 0.8189 0.8784 0.1234 0.0095 -0.0030 396 MET c O ? ? 1 +36621 O O B MET W 378 0.4735 0.8161 0.8754 0.1235 0.0096 -0.0030 396 MET c O ? ? 1 +36622 C CB A MET W 378 0.4846 0.8332 0.8917 0.1443 0.0079 -0.0016 396 MET c CB ? ? 1 +36623 C CB B MET W 378 0.4828 0.8307 0.8894 0.1443 0.0079 -0.0016 396 MET c CB ? ? 1 +36624 C CG A MET W 378 0.4836 0.8251 0.8875 0.1360 0.0056 0.0002 396 MET c CG ? ? 1 +36625 C CG B MET W 378 0.4814 0.8228 0.8852 0.1360 0.0057 0.0002 396 MET c CG ? ? 1 +36626 S SD A MET W 378 0.4914 0.8250 0.8910 0.1405 0.0027 0.0023 396 MET c SD ? ? 1 +36627 S SD B MET W 378 0.4883 0.8230 0.8887 0.1404 0.0027 0.0023 396 MET c SD ? ? 1 +36628 C CE A MET W 378 0.4885 0.8142 0.8844 0.1282 0.0014 0.0039 396 MET c CE ? ? 1 +36629 C CE B MET W 378 0.4868 0.8120 0.8822 0.1283 0.0015 0.0038 396 MET c CE ? ? 1 +36630 N N A THR W 379 0.5051 0.8238 0.8870 0.1347 0.0114 -0.0056 397 THR c N ? ? 1 +36631 N N B THR W 379 0.5025 0.8205 0.8839 0.1346 0.0114 -0.0057 397 THR c N ? ? 1 +36632 C CA A THR W 379 0.5131 0.8165 0.8838 0.1270 0.0111 -0.0065 397 THR c CA ? ? 1 +36633 C CA B THR W 379 0.5100 0.8130 0.8804 0.1268 0.0111 -0.0066 397 THR c CA ? ? 1 +36634 C C A THR W 379 0.5144 0.8173 0.8821 0.1243 0.0132 -0.0089 397 THR c C ? ? 1 +36635 C C B THR W 379 0.5106 0.8134 0.8783 0.1238 0.0131 -0.0089 397 THR c C ? ? 1 +36636 O O A THR W 379 0.5230 0.8128 0.8808 0.1187 0.0130 -0.0103 397 THR c O ? ? 1 +36637 O O B THR W 379 0.5180 0.8085 0.8765 0.1177 0.0128 -0.0101 397 THR c O ? ? 1 +36638 C CB A THR W 379 0.5332 0.8150 0.8881 0.1305 0.0108 -0.0071 397 THR c CB ? ? 1 +36639 C CB B THR W 379 0.5304 0.8114 0.8846 0.1304 0.0109 -0.0072 397 THR c CB ? ? 1 +36640 O OG1 A THR W 379 0.5446 0.8223 0.8942 0.1404 0.0127 -0.0088 397 THR c OG1 ? ? 1 +36641 O OG1 B THR W 379 0.5418 0.8186 0.8906 0.1401 0.0129 -0.0090 397 THR c OG1 ? ? 1 +36642 C CG2 A THR W 379 0.5330 0.8121 0.8883 0.1313 0.0086 -0.0046 397 THR c CG2 ? ? 1 +36643 C CG2 B THR W 379 0.5311 0.8087 0.8852 0.1317 0.0087 -0.0048 397 THR c CG2 ? ? 1 +36644 N N A HIS W 380 0.5060 0.8231 0.8823 0.1283 0.0151 -0.0095 398 HIS c N ? ? 1 +36645 N N B HIS W 380 0.5027 0.8190 0.8784 0.1281 0.0151 -0.0096 398 HIS c N ? ? 1 +36646 C CA A HIS W 380 0.5050 0.8241 0.8800 0.1255 0.0171 -0.0114 398 HIS c CA ? ? 1 +36647 C CA B HIS W 380 0.5017 0.8198 0.8760 0.1253 0.0171 -0.0115 398 HIS c CA ? ? 1 +36648 C C A HIS W 380 0.4855 0.8256 0.8760 0.1228 0.0176 -0.0102 398 HIS c C ? ? 1 +36649 C C B HIS W 380 0.4820 0.8211 0.8717 0.1226 0.0176 -0.0103 398 HIS c C ? ? 1 +36650 O O A HIS W 380 0.4833 0.8305 0.8763 0.1247 0.0202 -0.0114 398 HIS c O ? ? 1 +36651 O O B HIS W 380 0.4799 0.8259 0.8719 0.1246 0.0202 -0.0115 398 HIS c O ? ? 1 +36652 C CB A HIS W 380 0.5191 0.8309 0.8856 0.1339 0.0200 -0.0138 398 HIS c CB ? ? 1 +36653 C CB B HIS W 380 0.5159 0.8265 0.8815 0.1337 0.0200 -0.0139 398 HIS c CB ? ? 1 +36654 C CG A HIS W 380 0.5393 0.8287 0.8889 0.1357 0.0198 -0.0154 398 HIS c CG ? ? 1 +36655 C CG B HIS W 380 0.5360 0.8243 0.8848 0.1358 0.0197 -0.0154 398 HIS c CG ? ? 1 +36656 N ND1 A HIS W 380 0.5482 0.8284 0.8928 0.1410 0.0187 -0.0146 398 HIS c ND1 ? ? 1 +36657 N ND1 B HIS W 380 0.5443 0.8238 0.8885 0.1407 0.0185 -0.0144 398 HIS c ND1 ? ? 1 +36658 C CD2 A HIS W 380 0.5524 0.8271 0.8892 0.1330 0.0205 -0.0178 398 HIS c CD2 ? ? 1 +36659 C CD2 B HIS W 380 0.5500 0.8233 0.8856 0.1339 0.0206 -0.0179 398 HIS c CD2 ? ? 1 +36660 C CE1 A HIS W 380 0.5666 0.8265 0.8953 0.1412 0.0190 -0.0164 398 HIS c CE1 ? ? 1 +36661 C CE1 B HIS W 380 0.5631 0.8222 0.8915 0.1414 0.0189 -0.0162 398 HIS c CE1 ? ? 1 +36662 N NE2 A HIS W 380 0.5697 0.8259 0.8935 0.1363 0.0201 -0.0185 398 HIS c NE2 ? ? 1 +36663 N NE2 B HIS W 380 0.5669 0.8218 0.8899 0.1372 0.0201 -0.0185 398 HIS c NE2 ? ? 1 +36664 N N A ALA W 381 0.4721 0.8216 0.8724 0.1183 0.0153 -0.0078 399 ALA c N ? ? 1 +36665 N N B ALA W 381 0.4682 0.8167 0.8677 0.1179 0.0153 -0.0080 399 ALA c N ? ? 1 +36666 C CA A ALA W 381 0.4539 0.8225 0.8687 0.1148 0.0155 -0.0065 399 ALA c CA ? ? 1 +36667 C CA B ALA W 381 0.4500 0.8178 0.8641 0.1147 0.0155 -0.0066 399 ALA c CA ? ? 1 +36668 C C A ALA W 381 0.4528 0.8216 0.8655 0.1082 0.0162 -0.0077 399 ALA c C ? ? 1 +36669 C C B ALA W 381 0.4482 0.8168 0.8608 0.1079 0.0162 -0.0077 399 ALA c C ? ? 1 +36670 O O A ALA W 381 0.4615 0.8172 0.8642 0.1032 0.0151 -0.0088 399 ALA c O ? ? 1 +36671 O O B ALA W 381 0.4568 0.8126 0.8596 0.1028 0.0150 -0.0088 399 ALA c O ? ? 1 +36672 C CB A ALA W 381 0.4419 0.8172 0.8650 0.1102 0.0126 -0.0040 399 ALA c CB ? ? 1 +36673 C CB B ALA W 381 0.4377 0.8124 0.8603 0.1103 0.0127 -0.0041 399 ALA c CB ? ? 1 +36674 N N A PRO W 382 0.4433 0.8265 0.8651 0.1081 0.0181 -0.0076 400 PRO c N ? ? 1 +36675 N N B PRO W 382 0.4384 0.8218 0.8604 0.1078 0.0180 -0.0075 400 PRO c N ? ? 1 +36676 C CA A PRO W 382 0.4425 0.8260 0.8620 0.1022 0.0186 -0.0086 400 PRO c CA ? ? 1 +36677 C CA B PRO W 382 0.4376 0.8216 0.8575 0.1021 0.0186 -0.0085 400 PRO c CA ? ? 1 +36678 C C A PRO W 382 0.4331 0.8199 0.8571 0.0929 0.0156 -0.0072 400 PRO c C ? ? 1 +36679 C C B PRO W 382 0.4283 0.8156 0.8528 0.0927 0.0155 -0.0071 400 PRO c C ? ? 1 +36680 O O A PRO W 382 0.4198 0.8200 0.8537 0.0895 0.0156 -0.0060 400 PRO c O ? ? 1 +36681 O O B PRO W 382 0.4144 0.8156 0.8495 0.0895 0.0155 -0.0057 400 PRO c O ? ? 1 +36682 C CB A PRO W 382 0.4346 0.8328 0.8629 0.1059 0.0219 -0.0085 400 PRO c CB ? ? 1 +36683 C CB B PRO W 382 0.4293 0.8283 0.8584 0.1058 0.0218 -0.0083 400 PRO c CB ? ? 1 +36684 C CG A PRO W 382 0.4240 0.8348 0.8646 0.1098 0.0217 -0.0065 400 PRO c CG ? ? 1 +36685 C CG B PRO W 382 0.4184 0.8298 0.8598 0.1093 0.0214 -0.0063 400 PRO c CG ? ? 1 +36686 C CD A PRO W 382 0.4337 0.8330 0.8678 0.1136 0.0199 -0.0066 400 PRO c CD ? ? 1 +36687 C CD B PRO W 382 0.4282 0.8279 0.8628 0.1131 0.0196 -0.0064 400 PRO c CD ? ? 1 +36688 N N A LEU W 383 0.4413 0.8154 0.8578 0.0889 0.0131 -0.0074 401 LEU c N ? ? 1 +36689 N N B LEU W 383 0.4373 0.8115 0.8537 0.0885 0.0131 -0.0075 401 LEU c N ? ? 1 +36690 C CA A LEU W 383 0.4348 0.8097 0.8539 0.0798 0.0103 -0.0066 401 LEU c CA ? ? 1 +36691 C CA B LEU W 383 0.4310 0.8061 0.8500 0.0795 0.0103 -0.0067 401 LEU c CA ? ? 1 +36692 C C A LEU W 383 0.4499 0.8078 0.8557 0.0758 0.0092 -0.0089 401 LEU c C ? ? 1 +36693 C C B LEU W 383 0.4466 0.8046 0.8522 0.0756 0.0092 -0.0090 401 LEU c C ? ? 1 +36694 O O A LEU W 383 0.4639 0.8080 0.8599 0.0790 0.0094 -0.0099 401 LEU c O ? ? 1 +36695 O O B LEU W 383 0.4610 0.8054 0.8566 0.0793 0.0097 -0.0102 401 LEU c O ? ? 1 +36696 C CB A LEU W 383 0.4274 0.8056 0.8530 0.0782 0.0082 -0.0043 401 LEU c CB ? ? 1 +36697 C CB B LEU W 383 0.4235 0.8018 0.8490 0.0778 0.0082 -0.0044 401 LEU c CB ? ? 1 +36698 C CG A LEU W 383 0.4115 0.8075 0.8516 0.0801 0.0084 -0.0019 401 LEU c CG ? ? 1 +36699 C CG B LEU W 383 0.4082 0.8039 0.8480 0.0801 0.0085 -0.0020 401 LEU c CG ? ? 1 +36700 C CD1 A LEU W 383 0.4143 0.8136 0.8563 0.0895 0.0104 -0.0018 401 LEU c CD1 ? ? 1 +36701 C CD1 B LEU W 383 0.4118 0.8096 0.8527 0.0896 0.0103 -0.0019 401 LEU c CD1 ? ? 1 +36702 C CD2 A LEU W 383 0.4029 0.8017 0.8488 0.0756 0.0058 0.0002 401 LEU c CD2 ? ? 1 +36703 C CD2 B LEU W 383 0.3986 0.7979 0.8447 0.0752 0.0059 0.0001 401 LEU c CD2 ? ? 1 +36704 N N A GLY W 384 0.4478 0.8067 0.8534 0.0687 0.0078 -0.0098 402 GLY c N ? ? 1 +36705 N N B GLY W 384 0.4447 0.8035 0.8501 0.0684 0.0077 -0.0099 402 GLY c N ? ? 1 +36706 C CA A GLY W 384 0.4608 0.8050 0.8549 0.0642 0.0065 -0.0122 402 GLY c CA ? ? 1 +36707 C CA B GLY W 384 0.4579 0.8018 0.8518 0.0637 0.0063 -0.0123 402 GLY c CA ? ? 1 +36708 C C A GLY W 384 0.4551 0.8044 0.8520 0.0566 0.0045 -0.0130 402 GLY c C ? ? 1 +36709 C C B GLY W 384 0.4526 0.8015 0.8492 0.0561 0.0044 -0.0131 402 GLY c C ? ? 1 +36710 O O A GLY W 384 0.4429 0.8061 0.8488 0.0561 0.0048 -0.0118 402 GLY c O ? ? 1 +36711 O O B GLY W 384 0.4404 0.8031 0.8461 0.0554 0.0046 -0.0119 402 GLY c O ? ? 1 +36712 N N A SER W 385 0.4649 0.8026 0.8536 0.0508 0.0025 -0.0151 403 SER c N ? ? 1 +36713 N N B SER W 385 0.4628 0.7999 0.8513 0.0504 0.0024 -0.0152 403 SER c N ? ? 1 +36714 C CA A SER W 385 0.4601 0.8017 0.8510 0.0435 0.0001 -0.0162 403 SER c CA ? ? 1 +36715 C CA B SER W 385 0.4584 0.7990 0.8487 0.0430 -0.0001 -0.0164 403 SER c CA ? ? 1 +36716 C C A SER W 385 0.4696 0.8066 0.8521 0.0447 0.0006 -0.0189 403 SER c C ? ? 1 +36717 C C B SER W 385 0.4679 0.8046 0.8502 0.0444 0.0005 -0.0190 403 SER c C ? ? 1 +36718 O O A SER W 385 0.4824 0.8102 0.8555 0.0503 0.0028 -0.0204 403 SER c O ? ? 1 +36719 O O B SER W 385 0.4807 0.8082 0.8536 0.0500 0.0026 -0.0205 403 SER c O ? ? 1 +36720 C CB A SER W 385 0.4644 0.7973 0.8524 0.0360 -0.0025 -0.0172 403 SER c CB ? ? 1 +36721 C CB B SER W 385 0.4640 0.7949 0.8505 0.0357 -0.0026 -0.0176 403 SER c CB ? ? 1 +36722 O OG A SER W 385 0.4823 0.7978 0.8567 0.0365 -0.0022 -0.0200 403 SER c OG ? ? 1 +36723 O OG B SER W 385 0.4820 0.7956 0.8549 0.0368 -0.0021 -0.0203 403 SER c OG ? ? 1 +36724 N N A LEU W 386 0.4644 0.8078 0.8499 0.0395 -0.0014 -0.0196 404 LEU c N ? ? 1 +36725 N N B LEU W 386 0.4629 0.8063 0.8484 0.0394 -0.0015 -0.0196 404 LEU c N ? ? 1 +36726 C CA A LEU W 386 0.4724 0.8126 0.8503 0.0403 -0.0013 -0.0220 404 LEU c CA ? ? 1 +36727 C CA B LEU W 386 0.4710 0.8114 0.8491 0.0402 -0.0014 -0.0220 404 LEU c CA ? ? 1 +36728 C C A LEU W 386 0.4905 0.8128 0.8539 0.0396 -0.0019 -0.0255 404 LEU c C ? ? 1 +36729 C C B LEU W 386 0.4892 0.8118 0.8528 0.0395 -0.0020 -0.0255 404 LEU c C ? ? 1 +36730 O O A LEU W 386 0.5013 0.8175 0.8556 0.0435 -0.0005 -0.0275 404 LEU c O ? ? 1 +36731 O O B LEU W 386 0.5000 0.8165 0.8545 0.0434 -0.0005 -0.0275 404 LEU c O ? ? 1 +36732 C CB A LEU W 386 0.4635 0.8133 0.8475 0.0342 -0.0042 -0.0220 404 LEU c CB ? ? 1 +36733 C CB B LEU W 386 0.4623 0.8125 0.8467 0.0341 -0.0043 -0.0219 404 LEU c CB ? ? 1 +36734 C CG A LEU W 386 0.4701 0.8190 0.8476 0.0348 -0.0044 -0.0240 404 LEU c CG ? ? 1 +36735 C CG B LEU W 386 0.4693 0.8184 0.8470 0.0344 -0.0046 -0.0240 404 LEU c CG ? ? 1 +36736 C CD1 A LEU W 386 0.4705 0.8237 0.8473 0.0424 -0.0003 -0.0229 404 LEU c CD1 ? ? 1 +36737 C CD1 B LEU W 386 0.4701 0.8233 0.8468 0.0419 -0.0005 -0.0230 404 LEU c CD1 ? ? 1 +36738 C CD2 A LEU W 386 0.4599 0.8188 0.8443 0.0290 -0.0076 -0.0236 404 LEU c CD2 ? ? 1 +36739 C CD2 B LEU W 386 0.4592 0.8183 0.8439 0.0286 -0.0078 -0.0236 404 LEU c CD2 ? ? 1 +36740 N N A ASN W 387 0.4946 0.8083 0.8558 0.0348 -0.0039 -0.0264 405 ASN c N ? ? 1 +36741 N N B ASN W 387 0.4933 0.8073 0.8547 0.0346 -0.0040 -0.0264 405 ASN c N ? ? 1 +36742 C CA A ASN W 387 0.5124 0.8084 0.8602 0.0337 -0.0044 -0.0297 405 ASN c CA ? ? 1 +36743 C CA B ASN W 387 0.5113 0.8075 0.8592 0.0336 -0.0044 -0.0297 405 ASN c CA ? ? 1 +36744 C C A ASN W 387 0.5217 0.8071 0.8627 0.0402 -0.0015 -0.0292 405 ASN c C ? ? 1 +36745 C C B ASN W 387 0.5213 0.8067 0.8621 0.0402 -0.0015 -0.0293 405 ASN c C ? ? 1 +36746 O O A ASN W 387 0.5365 0.8061 0.8668 0.0391 -0.0017 -0.0315 405 ASN c O ? ? 1 +36747 O O B ASN W 387 0.5359 0.8054 0.8657 0.0393 -0.0017 -0.0316 405 ASN c O ? ? 1 +36748 C CB A ASN W 387 0.5140 0.8054 0.8622 0.0246 -0.0078 -0.0311 405 ASN c CB ? ? 1 +36749 C CB B ASN W 387 0.5127 0.8042 0.8611 0.0245 -0.0079 -0.0311 405 ASN c CB ? ? 1 +36750 C CG A ASN W 387 0.5050 0.8003 0.8619 0.0218 -0.0080 -0.0284 405 ASN c CG ? ? 1 +36751 C CG B ASN W 387 0.5030 0.7992 0.8605 0.0217 -0.0080 -0.0283 405 ASN c CG ? ? 1 +36752 O OD1 A ASN W 387 0.4902 0.7991 0.8583 0.0232 -0.0074 -0.0253 405 ASN c OD1 ? ? 1 +36753 O OD1 B ASN W 387 0.4882 0.7982 0.8569 0.0232 -0.0075 -0.0252 405 ASN c OD1 ? ? 1 +36754 N ND2 A ASN W 387 0.5147 0.7978 0.8661 0.0177 -0.0086 -0.0297 405 ASN c ND2 ? ? 1 +36755 N ND2 B ASN W 387 0.5117 0.7963 0.8644 0.0174 -0.0087 -0.0294 405 ASN c ND2 ? ? 1 +36756 N N . SER W 388 0.5125 0.8068 0.8598 0.0469 0.0012 -0.0265 406 SER c N ? ? 1 +36757 C CA . SER W 388 0.5194 0.8064 0.8616 0.0547 0.0041 -0.0259 406 SER c CA ? ? 1 +36758 C CB . SER W 388 0.5363 0.8110 0.8650 0.0597 0.0059 -0.0289 406 SER c CB ? ? 1 +36759 O OG . SER W 388 0.5324 0.8162 0.8631 0.0621 0.0071 -0.0292 406 SER c OG ? ? 1 +36760 C C . SER W 388 0.5234 0.8010 0.8634 0.0535 0.0036 -0.0251 406 SER c C ? ? 1 +36761 O O . SER W 388 0.5391 0.8019 0.8682 0.0571 0.0048 -0.0264 406 SER c O ? ? 1 +36762 N N A VAL W 389 0.5101 0.7964 0.8605 0.0486 0.0019 -0.0228 407 VAL c N ? ? 1 +36763 N N B VAL W 389 0.5100 0.7961 0.8602 0.0485 0.0019 -0.0228 407 VAL c N ? ? 1 +36764 C CA A VAL W 389 0.5114 0.7918 0.8618 0.0482 0.0019 -0.0211 407 VAL c CA ? ? 1 +36765 C CA B VAL W 389 0.5110 0.7913 0.8613 0.0481 0.0019 -0.0211 407 VAL c CA ? ? 1 +36766 C C A VAL W 389 0.5007 0.7925 0.8599 0.0551 0.0035 -0.0179 407 VAL c C ? ? 1 +36767 C C B VAL W 389 0.4999 0.7918 0.8592 0.0549 0.0035 -0.0180 407 VAL c C ? ? 1 +36768 O O A VAL W 389 0.4839 0.7917 0.8554 0.0537 0.0030 -0.0159 407 VAL c O ? ? 1 +36769 O O B VAL W 389 0.4830 0.7909 0.8546 0.0534 0.0029 -0.0160 407 VAL c O ? ? 1 +36770 C CB A VAL W 389 0.5046 0.7870 0.8605 0.0388 -0.0006 -0.0206 407 VAL c CB ? ? 1 +36771 C CB B VAL W 389 0.5042 0.7865 0.8600 0.0386 -0.0007 -0.0207 407 VAL c CB ? ? 1 +36772 C CG1 A VAL W 389 0.5082 0.7832 0.8627 0.0388 -0.0002 -0.0188 407 VAL c CG1 ? ? 1 +36773 C CG1 B VAL W 389 0.5087 0.7826 0.8624 0.0381 -0.0004 -0.0191 407 VAL c CG1 ? ? 1 +36774 C CG2 A VAL W 389 0.5139 0.7873 0.8628 0.0316 -0.0026 -0.0240 407 VAL c CG2 ? ? 1 +36775 C CG2 B VAL W 389 0.5127 0.7871 0.8621 0.0314 -0.0027 -0.0241 407 VAL c CG2 ? ? 1 +36776 N N A GLY W 390 0.5107 0.7941 0.8634 0.0627 0.0055 -0.0177 408 GLY c N ? ? 1 +36777 N N B GLY W 390 0.5095 0.7931 0.8625 0.0624 0.0054 -0.0177 408 GLY c N ? ? 1 +36778 C CA A GLY W 390 0.5024 0.7959 0.8627 0.0701 0.0070 -0.0153 408 GLY c CA ? ? 1 +36779 C CA B GLY W 390 0.5010 0.7951 0.8616 0.0700 0.0069 -0.0153 408 GLY c CA ? ? 1 +36780 C C A GLY W 390 0.4907 0.7914 0.8602 0.0675 0.0056 -0.0123 408 GLY c C ? ? 1 +36781 C C B GLY W 390 0.4904 0.7906 0.8595 0.0682 0.0057 -0.0123 408 GLY c C ? ? 1 +36782 O O A GLY W 390 0.4962 0.7874 0.8616 0.0627 0.0043 -0.0121 408 GLY c O ? ? 1 +36783 O O B GLY W 390 0.4982 0.7873 0.8618 0.0649 0.0048 -0.0121 408 GLY c O ? ? 1 +36784 N N A GLY W 391 0.4752 0.7926 0.8571 0.0705 0.0059 -0.0101 409 GLY c N ? ? 1 +36785 N N B GLY W 391 0.4737 0.7912 0.8558 0.0703 0.0059 -0.0101 409 GLY c N ? ? 1 +36786 C CA A GLY W 391 0.4653 0.7897 0.8556 0.0700 0.0048 -0.0072 409 GLY c CA ? ? 1 +36787 C CA B GLY W 391 0.4642 0.7885 0.8545 0.0699 0.0048 -0.0072 409 GLY c CA ? ? 1 +36788 C C A GLY W 391 0.4470 0.7877 0.8505 0.0639 0.0034 -0.0057 409 GLY c C ? ? 1 +36789 C C B GLY W 391 0.4457 0.7867 0.8494 0.0641 0.0035 -0.0057 409 GLY c C ? ? 1 +36790 O O A GLY W 391 0.4412 0.7891 0.8480 0.0612 0.0035 -0.0066 409 GLY c O ? ? 1 +36791 O O B GLY W 391 0.4397 0.7885 0.8470 0.0621 0.0037 -0.0066 409 GLY c O ? ? 1 +36792 N N A VAL W 392 0.4396 0.7852 0.8498 0.0619 0.0022 -0.0033 410 VAL c N ? ? 1 +36793 N N B VAL W 392 0.4383 0.7840 0.8486 0.0616 0.0021 -0.0034 410 VAL c N ? ? 1 +36794 C CA A VAL W 392 0.4234 0.7832 0.8457 0.0560 0.0007 -0.0018 410 VAL c CA ? ? 1 +36795 C CA B VAL W 392 0.4221 0.7823 0.8445 0.0559 0.0008 -0.0019 410 VAL c CA ? ? 1 +36796 C C A VAL W 392 0.4255 0.7807 0.8450 0.0471 -0.0007 -0.0034 410 VAL c C ? ? 1 +36797 C C B VAL W 392 0.4238 0.7797 0.8438 0.0469 -0.0008 -0.0033 410 VAL c C ? ? 1 +36798 O O A VAL W 392 0.4394 0.7798 0.8480 0.0451 -0.0008 -0.0053 410 VAL c O ? ? 1 +36799 O O B VAL W 392 0.4373 0.7784 0.8466 0.0446 -0.0009 -0.0052 410 VAL c O ? ? 1 +36800 C CB A VAL W 392 0.4157 0.7806 0.8447 0.0561 -0.0002 0.0009 410 VAL c CB ? ? 1 +36801 C CB B VAL W 392 0.4144 0.7800 0.8438 0.0562 -0.0002 0.0009 410 VAL c CB ? ? 1 +36802 C CG1 A VAL W 392 0.4144 0.7851 0.8469 0.0652 0.0008 0.0021 410 VAL c CG1 ? ? 1 +36803 C CG1 B VAL W 392 0.4139 0.7846 0.8462 0.0654 0.0009 0.0020 410 VAL c CG1 ? ? 1 +36804 C CG2 A VAL W 392 0.4262 0.7764 0.8468 0.0528 -0.0009 0.0010 410 VAL c CG2 ? ? 1 +36805 C CG2 B VAL W 392 0.4239 0.7755 0.8455 0.0526 -0.0010 0.0011 410 VAL c CG2 ? ? 1 +36806 N N A ALA W 393 0.4121 0.7802 0.8417 0.0419 -0.0020 -0.0026 411 ALA c N ? ? 1 +36807 N N B ALA W 393 0.4105 0.7795 0.8406 0.0418 -0.0020 -0.0026 411 ALA c N ? ? 1 +36808 C CA A ALA W 393 0.4119 0.7787 0.8408 0.0339 -0.0036 -0.0042 411 ALA c CA ? ? 1 +36809 C CA B ALA W 393 0.4099 0.7775 0.8394 0.0337 -0.0037 -0.0041 411 ALA c CA ? ? 1 +36810 C C A ALA W 393 0.4191 0.7752 0.8435 0.0279 -0.0047 -0.0046 411 ALA c C ? ? 1 +36811 C C B ALA W 393 0.4173 0.7740 0.8422 0.0279 -0.0047 -0.0045 411 ALA c C ? ? 1 +36812 O O A ALA W 393 0.4251 0.7751 0.8453 0.0219 -0.0059 -0.0067 411 ALA c O ? ? 1 +36813 O O B ALA W 393 0.4242 0.7741 0.8443 0.0221 -0.0058 -0.0067 411 ALA c O ? ? 1 +36814 C CB A ALA W 393 0.3948 0.7782 0.8361 0.0304 -0.0047 -0.0029 411 ALA c CB ? ? 1 +36815 C CB B ALA W 393 0.3926 0.7768 0.8346 0.0301 -0.0048 -0.0027 411 ALA c CB ? ? 1 +36816 N N A THR W 394 0.4197 0.7737 0.8450 0.0296 -0.0043 -0.0025 412 THR c N ? ? 1 +36817 N N B THR W 394 0.4174 0.7725 0.8435 0.0295 -0.0044 -0.0024 412 THR c N ? ? 1 +36818 C CA A THR W 394 0.4262 0.7705 0.8476 0.0241 -0.0049 -0.0024 412 THR c CA ? ? 1 +36819 C CA B THR W 394 0.4243 0.7695 0.8464 0.0241 -0.0049 -0.0023 412 THR c CA ? ? 1 +36820 C C A THR W 394 0.4459 0.7711 0.8534 0.0264 -0.0037 -0.0036 412 THR c C ? ? 1 +36821 C C B THR W 394 0.4441 0.7701 0.8522 0.0263 -0.0037 -0.0036 412 THR c C ? ? 1 +36822 O O A THR W 394 0.4526 0.7679 0.8555 0.0223 -0.0036 -0.0035 412 THR c O ? ? 1 +36823 O O B THR W 394 0.4506 0.7667 0.8541 0.0221 -0.0036 -0.0035 412 THR c O ? ? 1 +36824 C CB A THR W 394 0.4166 0.7685 0.8460 0.0242 -0.0051 0.0006 412 THR c CB ? ? 1 +36825 C CB B THR W 394 0.4149 0.7675 0.8449 0.0244 -0.0051 0.0007 412 THR c CB ? ? 1 +36826 O OG1 A THR W 394 0.4184 0.7711 0.8472 0.0329 -0.0040 0.0021 412 THR c OG1 ? ? 1 +36827 O OG1 B THR W 394 0.4153 0.7705 0.8457 0.0332 -0.0041 0.0023 412 THR c OG1 ? ? 1 +36828 C CG2 A THR W 394 0.3985 0.7677 0.8413 0.0203 -0.0064 0.0017 412 THR c CG2 ? ? 1 +36829 C CG2 B THR W 394 0.3973 0.7664 0.8403 0.0197 -0.0065 0.0018 412 THR c CG2 ? ? 1 +36830 N N A GLU W 395 0.4557 0.7757 0.8563 0.0332 -0.0025 -0.0048 413 GLU c N ? ? 1 +36831 N N B GLU W 395 0.4543 0.7748 0.8553 0.0328 -0.0026 -0.0049 413 GLU c N ? ? 1 +36832 C CA A GLU W 395 0.4751 0.7766 0.8619 0.0365 -0.0013 -0.0060 413 GLU c CA ? ? 1 +36833 C CA B GLU W 395 0.4736 0.7757 0.8608 0.0362 -0.0013 -0.0060 413 GLU c CA ? ? 1 +36834 C C A GLU W 395 0.4865 0.7758 0.8648 0.0296 -0.0017 -0.0091 413 GLU c C ? ? 1 +36835 C C B GLU W 395 0.4854 0.7750 0.8639 0.0297 -0.0018 -0.0091 413 GLU c C ? ? 1 +36836 O O A GLU W 395 0.4804 0.7761 0.8627 0.0247 -0.0030 -0.0107 413 GLU c O ? ? 1 +36837 O O B GLU W 395 0.4798 0.7754 0.8616 0.0252 -0.0029 -0.0109 413 GLU c O ? ? 1 +36838 C CB A GLU W 395 0.4810 0.7818 0.8638 0.0460 0.0002 -0.0066 413 GLU c CB ? ? 1 +36839 C CB B GLU W 395 0.4792 0.7809 0.8628 0.0459 0.0001 -0.0064 413 GLU c CB ? ? 1 +36840 C CG A GLU W 395 0.5007 0.7832 0.8696 0.0513 0.0015 -0.0074 413 GLU c CG ? ? 1 +36841 C CG B GLU W 395 0.4993 0.7826 0.8689 0.0512 0.0015 -0.0073 413 GLU c CG ? ? 1 +36842 C CD A GLU W 395 0.5055 0.7813 0.8719 0.0533 0.0017 -0.0051 413 GLU c CD ? ? 1 +36843 C CD B GLU W 395 0.5048 0.7808 0.8715 0.0528 0.0016 -0.0051 413 GLU c CD ? ? 1 +36844 O OE1 A GLU W 395 0.5102 0.7780 0.8734 0.0466 0.0012 -0.0049 413 GLU c OE1 ? ? 1 +36845 O OE1 B GLU W 395 0.5073 0.7775 0.8726 0.0457 0.0010 -0.0047 413 GLU c OE1 ? ? 1 +36846 O OE2 A GLU W 395 0.5055 0.7843 0.8731 0.0615 0.0022 -0.0036 413 GLU c OE2 ? ? 1 +36847 O OE2 B GLU W 395 0.5080 0.7840 0.8736 0.0613 0.0023 -0.0038 413 GLU c OE2 ? ? 1 +36848 N N A ILE W 396 0.5035 0.7749 0.8700 0.0293 -0.0008 -0.0099 414 ILE c N ? ? 1 +36849 N N B ILE W 396 0.5022 0.7741 0.8691 0.0292 -0.0009 -0.0098 414 ILE c N ? ? 1 +36850 C CA A ILE W 396 0.5172 0.7752 0.8747 0.0230 -0.0011 -0.0130 414 ILE c CA ? ? 1 +36851 C CA B ILE W 396 0.5165 0.7749 0.8742 0.0230 -0.0012 -0.0130 414 ILE c CA ? ? 1 +36852 C C A ILE W 396 0.5304 0.7799 0.8780 0.0280 -0.0004 -0.0156 414 ILE c C ? ? 1 +36853 C C B ILE W 396 0.5294 0.7797 0.8775 0.0280 -0.0005 -0.0156 414 ILE c C ? ? 1 +36854 O O A ILE W 396 0.5326 0.7828 0.8783 0.0368 0.0008 -0.0147 414 ILE c O ? ? 1 +36855 O O B ILE W 396 0.5313 0.7831 0.8779 0.0367 0.0007 -0.0148 414 ILE c O ? ? 1 +36856 C CB A ILE W 396 0.5307 0.7723 0.8795 0.0195 -0.0002 -0.0127 414 ILE c CB ? ? 1 +36857 C CB B ILE W 396 0.5300 0.7718 0.8789 0.0195 -0.0002 -0.0127 414 ILE c CB ? ? 1 +36858 C CG1 A ILE W 396 0.5432 0.7728 0.8822 0.0284 0.0016 -0.0113 414 ILE c CG1 ? ? 1 +36859 C CG1 B ILE W 396 0.5430 0.7725 0.8819 0.0284 0.0016 -0.0114 414 ILE c CG1 ? ? 1 +36860 C CG2 A ILE W 396 0.5192 0.7686 0.8773 0.0133 -0.0007 -0.0106 414 ILE c CG2 ? ? 1 +36861 C CG2 B ILE W 396 0.5185 0.7681 0.8767 0.0133 -0.0008 -0.0106 414 ILE c CG2 ? ? 1 +36862 C CD1 A ILE W 396 0.5603 0.7705 0.8876 0.0258 0.0028 -0.0115 414 ILE c CD1 ? ? 1 +36863 C CD1 B ILE W 396 0.5597 0.7700 0.8871 0.0256 0.0028 -0.0115 414 ILE c CD1 ? ? 1 +36864 N N . ASN W 397 0.5394 0.7810 0.8810 0.0222 -0.0013 -0.0189 415 ASN c N ? ? 1 +36865 C CA . ASN W 397 0.5541 0.7848 0.8844 0.0260 -0.0006 -0.0218 415 ASN c CA ? ? 1 +36866 C CB . ASN W 397 0.5616 0.7856 0.8873 0.0177 -0.0022 -0.0255 415 ASN c CB ? ? 1 +36867 C CG . ASN W 397 0.5496 0.7883 0.8837 0.0152 -0.0042 -0.0266 415 ASN c CG ? ? 1 +36868 O OD1 . ASN W 397 0.5525 0.7921 0.8830 0.0198 -0.0040 -0.0281 415 ASN c OD1 ? ? 1 +36869 N ND2 . ASN W 397 0.5368 0.7869 0.8816 0.0080 -0.0061 -0.0261 415 ASN c ND2 ? ? 1 +36870 C C . ASN W 397 0.5716 0.7845 0.8889 0.0321 0.0015 -0.0217 415 ASN c C ? ? 1 +36871 O O . ASN W 397 0.5774 0.7809 0.8909 0.0300 0.0020 -0.0205 415 ASN c O ? ? 1 +36872 N N . SER W 398 0.5806 0.7892 0.8910 0.0400 0.0027 -0.0229 416 SER c N ? ? 1 +36873 C CA . SER W 398 0.5991 0.7909 0.8965 0.0469 0.0046 -0.0231 416 SER c CA ? ? 1 +36874 C CB . SER W 398 0.6005 0.7900 0.8988 0.0503 0.0054 -0.0198 416 SER c CB ? ? 1 +36875 O OG . SER W 398 0.6114 0.7886 0.9044 0.0430 0.0052 -0.0199 416 SER c OG ? ? 1 +36876 C C . SER W 398 0.5991 0.7939 0.8943 0.0563 0.0060 -0.0239 416 SER c C ? ? 1 +36877 O O . SER W 398 0.6147 0.7958 0.8977 0.0592 0.0069 -0.0265 416 SER c O ? ? 1 +36878 N N . VAL W 399 0.5819 0.7947 0.8891 0.0608 0.0061 -0.0216 417 VAL c N ? ? 1 +36879 C CA . VAL W 399 0.5815 0.7993 0.8885 0.0702 0.0079 -0.0219 417 VAL c CA ? ? 1 +36880 C CB . VAL W 399 0.5696 0.7997 0.8863 0.0772 0.0086 -0.0186 417 VAL c CB ? ? 1 +36881 C CG1 . VAL W 399 0.5714 0.8062 0.8878 0.0871 0.0107 -0.0192 417 VAL c CG1 ? ? 1 +36882 C CG2 . VAL W 399 0.5779 0.7968 0.8892 0.0791 0.0085 -0.0169 417 VAL c CG2 ? ? 1 +36883 C C . VAL W 399 0.5738 0.8023 0.8855 0.0678 0.0075 -0.0236 417 VAL c C ? ? 1 +36884 O O . VAL W 399 0.5568 0.8013 0.8807 0.0639 0.0063 -0.0223 417 VAL c O ? ? 1 +36885 N N . ASN W 400 0.5880 0.8065 0.8889 0.0704 0.0085 -0.0266 418 ASN c N ? ? 1 +36886 C CA . ASN W 400 0.5836 0.8099 0.8862 0.0699 0.0086 -0.0284 418 ASN c CA ? ? 1 +36887 C CB . ASN W 400 0.6036 0.8124 0.8909 0.0689 0.0087 -0.0323 418 ASN c CB ? ? 1 +36888 C CG . ASN W 400 0.6033 0.8168 0.8901 0.0661 0.0080 -0.0346 418 ASN c CG ? ? 1 +36889 O OD1 . ASN W 400 0.5884 0.8182 0.8863 0.0636 0.0071 -0.0334 418 ASN c OD1 ? ? 1 +36890 N ND2 . ASN W 400 0.6216 0.8205 0.8950 0.0665 0.0082 -0.0381 418 ASN c ND2 ? ? 1 +36891 C C . ASN W 400 0.5755 0.8139 0.8843 0.0790 0.0111 -0.0269 418 ASN c C ? ? 1 +36892 O O . ASN W 400 0.5871 0.8177 0.8878 0.0867 0.0134 -0.0281 418 ASN c O ? ? 1 +36893 N N A PHE W 401 0.5565 0.8140 0.8798 0.0780 0.0108 -0.0245 419 PHE c N ? ? 1 +36894 N N B PHE W 401 0.5562 0.8137 0.8795 0.0780 0.0108 -0.0245 419 PHE c N ? ? 1 +36895 C CA A PHE W 401 0.5484 0.8188 0.8793 0.0859 0.0132 -0.0231 419 PHE c CA ? ? 1 +36896 C CA B PHE W 401 0.5481 0.8184 0.8789 0.0860 0.0132 -0.0231 419 PHE c CA ? ? 1 +36897 C C A PHE W 401 0.5291 0.8194 0.8742 0.0827 0.0128 -0.0213 419 PHE c C ? ? 1 +36898 C C B PHE W 401 0.5287 0.8189 0.8738 0.0828 0.0128 -0.0213 419 PHE c C ? ? 1 +36899 O O A PHE W 401 0.5175 0.8154 0.8713 0.0769 0.0106 -0.0194 419 PHE c O ? ? 1 +36900 O O B PHE W 401 0.5173 0.8150 0.8710 0.0770 0.0106 -0.0194 419 PHE c O ? ? 1 +36901 C CB A PHE W 401 0.5479 0.8185 0.8816 0.0922 0.0139 -0.0209 419 PHE c CB ? ? 1 +36902 C CB B PHE W 401 0.5470 0.8178 0.8809 0.0922 0.0139 -0.0208 419 PHE c CB ? ? 1 +36903 C CG A PHE W 401 0.5381 0.8236 0.8815 0.1001 0.0162 -0.0194 419 PHE c CG ? ? 1 +36904 C CG B PHE W 401 0.5370 0.8228 0.8806 0.1000 0.0162 -0.0193 419 PHE c CG ? ? 1 +36905 C CD1 A PHE W 401 0.5463 0.8300 0.8848 0.1078 0.0192 -0.0210 419 PHE c CD1 ? ? 1 +36906 C CD1 B PHE W 401 0.5448 0.8290 0.8837 0.1077 0.0192 -0.0210 419 PHE c CD1 ? ? 1 +36907 C CD2 A PHE W 401 0.5210 0.8224 0.8785 0.0997 0.0154 -0.0165 419 PHE c CD2 ? ? 1 +36908 C CD2 B PHE W 401 0.5197 0.8214 0.8775 0.0995 0.0154 -0.0164 419 PHE c CD2 ? ? 1 +36909 C CE1 A PHE W 401 0.5374 0.8355 0.8857 0.1147 0.0215 -0.0198 419 PHE c CE1 ? ? 1 +36910 C CE1 B PHE W 401 0.5358 0.8344 0.8844 0.1145 0.0215 -0.0198 419 PHE c CE1 ? ? 1 +36911 C CE2 A PHE W 401 0.5124 0.8278 0.8794 0.1065 0.0175 -0.0153 419 PHE c CE2 ? ? 1 +36912 C CE2 B PHE W 401 0.5109 0.8267 0.8782 0.1063 0.0175 -0.0153 419 PHE c CE2 ? ? 1 +36913 C CZ A PHE W 401 0.5205 0.8344 0.8831 0.1139 0.0206 -0.0171 419 PHE c CZ ? ? 1 +36914 C CZ B PHE W 401 0.5188 0.8332 0.8817 0.1137 0.0205 -0.0170 419 PHE c CZ ? ? 1 +36915 N N A VAL W 402 0.5270 0.8247 0.8736 0.0867 0.0150 -0.0220 420 VAL c N ? ? 1 +36916 N N B VAL W 402 0.5262 0.8240 0.8729 0.0868 0.0150 -0.0220 420 VAL c N ? ? 1 +36917 C CA A VAL W 402 0.5096 0.8266 0.8698 0.0867 0.0158 -0.0200 420 VAL c CA ? ? 1 +36918 C CA B VAL W 402 0.5084 0.8253 0.8686 0.0866 0.0157 -0.0199 420 VAL c CA ? ? 1 +36919 C C A VAL W 402 0.5120 0.8340 0.8730 0.0959 0.0197 -0.0201 420 VAL c C ? ? 1 +36920 C C B VAL W 402 0.5104 0.8327 0.8716 0.0956 0.0197 -0.0202 420 VAL c C ? ? 1 +36921 O O A VAL W 402 0.5258 0.8389 0.8766 0.0996 0.0217 -0.0225 420 VAL c O ? ? 1 +36922 O O B VAL W 402 0.5241 0.8378 0.8752 0.0990 0.0216 -0.0226 420 VAL c O ? ? 1 +36923 C CB A VAL W 402 0.5031 0.8256 0.8652 0.0797 0.0143 -0.0206 420 VAL c CB ? ? 1 +36924 C CB B VAL W 402 0.5018 0.8241 0.8638 0.0794 0.0142 -0.0206 420 VAL c CB ? ? 1 +36925 C CG1 A VAL W 402 0.4896 0.8295 0.8625 0.0818 0.0164 -0.0190 420 VAL c CG1 ? ? 1 +36926 C CG1 B VAL W 402 0.4876 0.8276 0.8609 0.0811 0.0160 -0.0189 420 VAL c CG1 ? ? 1 +36927 C CG2 A VAL W 402 0.4958 0.8188 0.8618 0.0708 0.0105 -0.0199 420 VAL c CG2 ? ? 1 +36928 C CG2 B VAL W 402 0.4952 0.8171 0.8606 0.0706 0.0104 -0.0200 420 VAL c CG2 ? ? 1 +36929 N N A SER W 403 0.4996 0.8359 0.8731 0.0995 0.0208 -0.0177 421 SER c N ? ? 1 +36930 N N B SER W 403 0.4979 0.8343 0.8713 0.0994 0.0208 -0.0178 421 SER c N ? ? 1 +36931 C CA A SER W 403 0.4999 0.8428 0.8762 0.1082 0.0246 -0.0179 421 SER c CA ? ? 1 +36932 C CA B SER W 403 0.4982 0.8408 0.8742 0.1081 0.0246 -0.0179 421 SER c CA ? ? 1 +36933 C C A SER W 403 0.5002 0.8471 0.8747 0.1085 0.0273 -0.0193 421 SER c C ? ? 1 +36934 C C B SER W 403 0.4981 0.8447 0.8722 0.1085 0.0273 -0.0193 421 SER c C ? ? 1 +36935 O O A SER W 403 0.4911 0.8447 0.8695 0.1024 0.0263 -0.0187 421 SER c O ? ? 1 +36936 O O B SER W 403 0.4891 0.8423 0.8671 0.1023 0.0263 -0.0188 421 SER c O ? ? 1 +36937 C CB A SER W 403 0.4845 0.8443 0.8763 0.1103 0.0248 -0.0151 421 SER c CB ? ? 1 +36938 C CB B SER W 403 0.4833 0.8427 0.8746 0.1105 0.0250 -0.0153 421 SER c CB ? ? 1 +36939 O OG A SER W 403 0.4858 0.8535 0.8818 0.1184 0.0286 -0.0154 421 SER c OG ? ? 1 +36940 O OG B SER W 403 0.4866 0.8521 0.8808 0.1191 0.0287 -0.0157 421 SER c OG ? ? 1 +36941 N N A PRO W 404 0.5110 0.8533 0.8788 0.1159 0.0309 -0.0211 422 PRO c N ? ? 1 +36942 N N B PRO W 404 0.5085 0.8508 0.8762 0.1159 0.0309 -0.0211 422 PRO c N ? ? 1 +36943 C CA A PRO W 404 0.5112 0.8588 0.8782 0.1174 0.0343 -0.0221 422 PRO c CA ? ? 1 +36944 C CA B PRO W 404 0.5083 0.8561 0.8754 0.1174 0.0344 -0.0221 422 PRO c CA ? ? 1 +36945 C C A PRO W 404 0.4931 0.8604 0.8752 0.1161 0.0358 -0.0198 422 PRO c C ? ? 1 +36946 C C B PRO W 404 0.4898 0.8573 0.8720 0.1158 0.0357 -0.0198 422 PRO c C ? ? 1 +36947 O O A PRO W 404 0.4900 0.8620 0.8722 0.1133 0.0371 -0.0200 422 PRO c O ? ? 1 +36948 O O B PRO W 404 0.4866 0.8587 0.8688 0.1130 0.0370 -0.0199 422 PRO c O ? ? 1 +36949 C CB A PRO W 404 0.5247 0.8663 0.8852 0.1269 0.0382 -0.0240 422 PRO c CB ? ? 1 +36950 C CB B PRO W 404 0.5214 0.8639 0.8825 0.1270 0.0383 -0.0239 422 PRO c CB ? ? 1 +36951 C CG A PRO W 404 0.5366 0.8629 0.8882 0.1287 0.0359 -0.0248 422 PRO c CG ? ? 1 +36952 C CG B PRO W 404 0.5335 0.8606 0.8855 0.1289 0.0360 -0.0248 422 PRO c CG ? ? 1 +36953 C CD A PRO W 404 0.5250 0.8558 0.8848 0.1233 0.0319 -0.0224 422 PRO c CD ? ? 1 +36954 C CD B PRO W 404 0.5223 0.8533 0.8822 0.1234 0.0321 -0.0224 422 PRO c CD ? ? 1 +36955 N N A ARG W 405 0.4817 0.8600 0.8760 0.1182 0.0355 -0.0177 423 ARG c N ? ? 1 +36956 N N B ARG W 405 0.4782 0.8567 0.8727 0.1178 0.0353 -0.0176 423 ARG c N ? ? 1 +36957 C CA A ARG W 405 0.4650 0.8619 0.8742 0.1168 0.0367 -0.0155 423 ARG c CA ? ? 1 +36958 C CA B ARG W 405 0.4615 0.8585 0.8708 0.1164 0.0365 -0.0154 423 ARG c CA ? ? 1 +36959 C C A ARG W 405 0.4543 0.8553 0.8669 0.1077 0.0338 -0.0141 423 ARG c C ? ? 1 +36960 C C B ARG W 405 0.4501 0.8517 0.8636 0.1072 0.0334 -0.0139 423 ARG c C ? ? 1 +36961 O O A ARG W 405 0.4462 0.8577 0.8649 0.1056 0.0355 -0.0133 423 ARG c O ? ? 1 +36962 O O B ARG W 405 0.4411 0.8540 0.8615 0.1051 0.0351 -0.0129 423 ARG c O ? ? 1 +36963 C CB A ARG W 405 0.4565 0.8630 0.8774 0.1205 0.0361 -0.0137 423 ARG c CB ? ? 1 +36964 C CB B ARG W 405 0.4533 0.8599 0.8742 0.1205 0.0362 -0.0137 423 ARG c CB ? ? 1 +36965 C CG A ARG W 405 0.4661 0.8707 0.8852 0.1302 0.0390 -0.0151 423 ARG c CG ? ? 1 +36966 C CG B ARG W 405 0.4625 0.8685 0.8823 0.1303 0.0396 -0.0151 423 ARG c CG ? ? 1 +36967 C CD A ARG W 405 0.4559 0.8739 0.8888 0.1341 0.0389 -0.0134 423 ARG c CD ? ? 1 +36968 C CD B ARG W 405 0.4525 0.8714 0.8858 0.1343 0.0393 -0.0135 423 ARG c CD ? ? 1 +36969 N NE A ARG W 405 0.4656 0.8817 0.8968 0.1438 0.0413 -0.0149 423 ARG c NE ? ? 1 +36970 N NE B ARG W 405 0.4624 0.8791 0.8938 0.1440 0.0416 -0.0150 423 ARG c NE ? ? 1 +36971 C CZ A ARG W 405 0.4636 0.8909 0.9021 0.1496 0.0455 -0.0156 423 ARG c CZ ? ? 1 +36972 C CZ B ARG W 405 0.4602 0.8883 0.8993 0.1500 0.0458 -0.0156 423 ARG c CZ ? ? 1 +36973 N NH1 A ARG W 405 0.4545 0.8940 0.9006 0.1468 0.0485 -0.0151 423 ARG c NH1 ? ? 1 +36974 N NH1 B ARG W 405 0.4512 0.8918 0.8982 0.1475 0.0488 -0.0151 423 ARG c NH1 ? ? 1 +36975 N NH2 A ARG W 405 0.4719 0.8979 0.9099 0.1586 0.0470 -0.0169 423 ARG c NH2 ? ? 1 +36976 N NH2 B ARG W 405 0.4686 0.8952 0.9071 0.1589 0.0470 -0.0169 423 ARG c NH2 ? ? 1 +36977 N N A SER W 406 0.4546 0.8473 0.8634 0.1023 0.0294 -0.0140 424 SER c N ? ? 1 +36978 N N B SER W 406 0.4510 0.8439 0.8602 0.1019 0.0291 -0.0138 424 SER c N ? ? 1 +36979 C CA A SER W 406 0.4453 0.8410 0.8568 0.0937 0.0263 -0.0130 424 SER c CA ? ? 1 +36980 C CA B SER W 406 0.4421 0.8376 0.8537 0.0932 0.0260 -0.0130 424 SER c CA ? ? 1 +36981 C C A SER W 406 0.4516 0.8416 0.8539 0.0907 0.0267 -0.0148 424 SER c C ? ? 1 +36982 C C B SER W 406 0.4481 0.8388 0.8511 0.0907 0.0267 -0.0147 424 SER c C ? ? 1 +36983 O O A SER W 406 0.4429 0.8415 0.8502 0.0866 0.0265 -0.0138 424 SER c O ? ? 1 +36984 O O B SER W 406 0.4394 0.8396 0.8478 0.0875 0.0271 -0.0136 424 SER c O ? ? 1 +36985 C CB A SER W 406 0.4460 0.8335 0.8551 0.0888 0.0219 -0.0127 424 SER c CB ? ? 1 +36986 C CB B SER W 406 0.4442 0.8302 0.8521 0.0883 0.0217 -0.0129 424 SER c CB ? ? 1 +36987 O OG A SER W 406 0.4342 0.8310 0.8547 0.0889 0.0208 -0.0103 424 SER c OG ? ? 1 +36988 O OG B SER W 406 0.4333 0.8269 0.8515 0.0879 0.0201 -0.0106 424 SER c OG ? ? 1 +36989 N N A TRP W 407 0.4679 0.8429 0.8564 0.0930 0.0272 -0.0175 425 TRP c N ? ? 1 +36990 N N B TRP W 407 0.4644 0.8398 0.8534 0.0924 0.0269 -0.0174 425 TRP c N ? ? 1 +36991 C CA A TRP W 407 0.4761 0.8446 0.8545 0.0911 0.0275 -0.0196 425 TRP c CA ? ? 1 +36992 C CA B TRP W 407 0.4731 0.8421 0.8519 0.0908 0.0275 -0.0195 425 TRP c CA ? ? 1 +36993 C C A TRP W 407 0.4718 0.8506 0.8539 0.0941 0.0318 -0.0190 425 TRP c C ? ? 1 +36994 C C B TRP W 407 0.4694 0.8484 0.8517 0.0941 0.0318 -0.0190 425 TRP c C ? ? 1 +36995 O O A TRP W 407 0.4693 0.8510 0.8505 0.0900 0.0313 -0.0189 425 TRP c O ? ? 1 +36996 O O B TRP W 407 0.4681 0.8496 0.8490 0.0902 0.0315 -0.0190 425 TRP c O ? ? 1 +36997 C CB A TRP W 407 0.4955 0.8463 0.8583 0.0944 0.0280 -0.0227 425 TRP c CB ? ? 1 +36998 C CB B TRP W 407 0.4924 0.8437 0.8558 0.0941 0.0279 -0.0226 425 TRP c CB ? ? 1 +36999 C CG A TRP W 407 0.5021 0.8400 0.8582 0.0897 0.0238 -0.0238 425 TRP c CG ? ? 1 +37000 C CG B TRP W 407 0.4991 0.8375 0.8556 0.0895 0.0237 -0.0237 425 TRP c CG ? ? 1 +37001 C CD1 A TRP W 407 0.5129 0.8388 0.8622 0.0927 0.0235 -0.0248 425 TRP c CD1 ? ? 1 +37002 C CD1 B TRP W 407 0.5098 0.8364 0.8599 0.0925 0.0234 -0.0247 425 TRP c CD1 ? ? 1 +37003 C CD2 A TRP W 407 0.4990 0.8345 0.8541 0.0811 0.0194 -0.0242 425 TRP c CD2 ? ? 1 +37004 C CD2 B TRP W 407 0.4965 0.8322 0.8517 0.0810 0.0194 -0.0242 425 TRP c CD2 ? ? 1 +37005 N NE1 A TRP W 407 0.5168 0.8328 0.8611 0.0862 0.0196 -0.0258 425 TRP c NE1 ? ? 1 +37006 N NE1 B TRP W 407 0.5139 0.8305 0.8587 0.0860 0.0195 -0.0256 425 TRP c NE1 ? ? 1 +37007 C CE2 A TRP W 407 0.5082 0.8303 0.8563 0.0790 0.0170 -0.0255 425 TRP c CE2 ? ? 1 +37008 C CE2 B TRP W 407 0.5054 0.8279 0.8538 0.0788 0.0169 -0.0255 425 TRP c CE2 ? ? 1 +37009 C CE3 A TRP W 407 0.4900 0.8334 0.8495 0.0751 0.0174 -0.0236 425 TRP c CE3 ? ? 1 +37010 C CE3 B TRP W 407 0.4877 0.8311 0.8471 0.0750 0.0174 -0.0237 425 TRP c CE3 ? ? 1 +37011 C CZ2 A TRP W 407 0.5080 0.8252 0.8542 0.0708 0.0127 -0.0264 425 TRP c CZ2 ? ? 1 +37012 C CZ2 B TRP W 407 0.5054 0.8227 0.8516 0.0707 0.0127 -0.0264 425 TRP c CZ2 ? ? 1 +37013 C CZ3 A TRP W 407 0.4898 0.8285 0.8475 0.0674 0.0129 -0.0245 425 TRP c CZ3 ? ? 1 +37014 C CZ3 B TRP W 407 0.4879 0.8263 0.8451 0.0674 0.0129 -0.0246 425 TRP c CZ3 ? ? 1 +37015 C CH2 A TRP W 407 0.4985 0.8246 0.8500 0.0652 0.0107 -0.0259 425 TRP c CH2 ? ? 1 +37016 C CH2 B TRP W 407 0.4964 0.8224 0.8476 0.0652 0.0107 -0.0260 425 TRP c CH2 ? ? 1 +37017 N N A LEU W 408 0.4712 0.8555 0.8576 0.1013 0.0360 -0.0187 426 LEU c N ? ? 1 +37018 N N B LEU W 408 0.4687 0.8532 0.8554 0.1013 0.0360 -0.0186 426 LEU c N ? ? 1 +37019 C CA A LEU W 408 0.4690 0.8621 0.8583 0.1047 0.0409 -0.0184 426 LEU c CA ? ? 1 +37020 C CA B LEU W 408 0.4666 0.8600 0.8563 0.1050 0.0409 -0.0183 426 LEU c CA ? ? 1 +37021 C C A LEU W 408 0.4511 0.8606 0.8542 0.1009 0.0411 -0.0156 426 LEU c C ? ? 1 +37022 C C B LEU W 408 0.4487 0.8590 0.8527 0.1016 0.0413 -0.0155 426 LEU c C ? ? 1 +37023 O O A LEU W 408 0.4496 0.8636 0.8523 0.0994 0.0431 -0.0153 426 LEU c O ? ? 1 +37024 O O B LEU W 408 0.4471 0.8627 0.8514 0.1009 0.0440 -0.0152 426 LEU c O ? ? 1 +37025 C CB A LEU W 408 0.4749 0.8692 0.8653 0.1136 0.0453 -0.0191 426 LEU c CB ? ? 1 +37026 C CB B LEU W 408 0.4728 0.8670 0.8634 0.1139 0.0452 -0.0191 426 LEU c CB ? ? 1 +37027 C CG A LEU W 408 0.4941 0.8723 0.8691 0.1183 0.0466 -0.0222 426 LEU c CG ? ? 1 +37028 C CG B LEU W 408 0.4920 0.8703 0.8671 0.1185 0.0467 -0.0222 426 LEU c CG ? ? 1 +37029 C CD1 A LEU W 408 0.4994 0.8789 0.8765 0.1271 0.0502 -0.0228 426 LEU c CD1 ? ? 1 +37030 C CD1 B LEU W 408 0.4979 0.8772 0.8747 0.1274 0.0503 -0.0229 426 LEU c CD1 ? ? 1 +37031 C CD2 A LEU W 408 0.5033 0.8766 0.8682 0.1180 0.0492 -0.0239 426 LEU c CD2 ? ? 1 +37032 C CD2 B LEU W 408 0.5001 0.8746 0.8660 0.1180 0.0493 -0.0237 426 LEU c CD2 ? ? 1 +37033 N N A ALA W 409 0.4382 0.8561 0.8530 0.0994 0.0389 -0.0135 427 ALA c N ? ? 1 +37034 N N B ALA W 409 0.4360 0.8540 0.8512 0.0996 0.0388 -0.0135 427 ALA c N ? ? 1 +37035 C CA A ALA W 409 0.4215 0.8549 0.8499 0.0960 0.0389 -0.0109 427 ALA c CA ? ? 1 +37036 C CA B ALA W 409 0.4194 0.8529 0.8482 0.0961 0.0388 -0.0109 427 ALA c CA ? ? 1 +37037 C C A ALA W 409 0.4164 0.8497 0.8435 0.0882 0.0356 -0.0102 427 ALA c C ? ? 1 +37038 C C B ALA W 409 0.4151 0.8482 0.8422 0.0884 0.0356 -0.0102 427 ALA c C ? ? 1 +37039 O O A ALA W 409 0.4099 0.8518 0.8416 0.0862 0.0373 -0.0089 427 ALA c O ? ? 1 +37040 O O B ALA W 409 0.4095 0.8507 0.8404 0.0867 0.0375 -0.0091 427 ALA c O ? ? 1 +37041 C CB A ALA W 409 0.4107 0.8518 0.8507 0.0966 0.0371 -0.0092 427 ALA c CB ? ? 1 +37042 C CB B ALA W 409 0.4086 0.8494 0.8488 0.0963 0.0366 -0.0091 427 ALA c CB ? ? 1 +37043 N N A THR W 410 0.4197 0.8431 0.8407 0.0839 0.0309 -0.0110 428 THR c N ? ? 1 +37044 N N B THR W 410 0.4181 0.8416 0.8393 0.0839 0.0309 -0.0110 428 THR c N ? ? 1 +37045 C CA A THR W 410 0.4153 0.8386 0.8355 0.0765 0.0271 -0.0106 428 THR c CA ? ? 1 +37046 C CA B THR W 410 0.4141 0.8375 0.8345 0.0766 0.0272 -0.0106 428 THR c CA ? ? 1 +37047 C C A THR W 410 0.4242 0.8426 0.8346 0.0760 0.0284 -0.0121 428 THR c C ? ? 1 +37048 C C B THR W 410 0.4231 0.8421 0.8339 0.0763 0.0286 -0.0120 428 THR c C ? ? 1 +37049 O O A THR W 410 0.4172 0.8425 0.8310 0.0725 0.0280 -0.0108 428 THR c O ? ? 1 +37050 O O B THR W 410 0.4160 0.8424 0.8305 0.0732 0.0288 -0.0107 428 THR c O ? ? 1 +37051 C CB A THR W 410 0.4186 0.8320 0.8344 0.0722 0.0222 -0.0116 428 THR c CB ? ? 1 +37052 C CB B THR W 410 0.4174 0.8309 0.8330 0.0721 0.0222 -0.0116 428 THR c CB ? ? 1 +37053 O OG1 A THR W 410 0.4354 0.8338 0.8378 0.0749 0.0224 -0.0144 428 THR c OG1 ? ? 1 +37054 O OG1 B THR W 410 0.4345 0.8330 0.8366 0.0748 0.0224 -0.0144 428 THR c OG1 ? ? 1 +37055 C CG2 A THR W 410 0.4095 0.8277 0.8348 0.0719 0.0206 -0.0098 428 THR c CG2 ? ? 1 +37056 C CG2 B THR W 410 0.4085 0.8264 0.8334 0.0717 0.0205 -0.0099 428 THR c CG2 ? ? 1 +37057 N N . SER W 411 0.4404 0.8465 0.8380 0.0795 0.0297 -0.0147 429 SER c N ? ? 1 +37058 C CA . SER W 411 0.4518 0.8521 0.8386 0.0800 0.0313 -0.0164 429 SER c CA ? ? 1 +37059 C CB . SER W 411 0.4702 0.8568 0.8438 0.0851 0.0332 -0.0193 429 SER c CB ? ? 1 +37060 O OG . SER W 411 0.4707 0.8619 0.8481 0.0922 0.0384 -0.0189 429 SER c OG ? ? 1 +37061 C C . SER W 411 0.4462 0.8573 0.8381 0.0821 0.0360 -0.0147 429 SER c C ? ? 1 +37062 O O . SER W 411 0.4464 0.8587 0.8353 0.0791 0.0355 -0.0144 429 SER c O ? ? 1 +37063 N N . HIS W 412 0.4410 0.8601 0.8407 0.0874 0.0405 -0.0137 430 HIS c N ? ? 1 +37064 C CA . HIS W 412 0.4365 0.8655 0.8411 0.0897 0.0457 -0.0124 430 HIS c CA ? ? 1 +37065 C CB . HIS W 412 0.4388 0.8713 0.8468 0.0972 0.0510 -0.0129 430 HIS c CB ? ? 1 +37066 C CG . HIS W 412 0.4555 0.8749 0.8489 0.1018 0.0533 -0.0158 430 HIS c CG ? ? 1 +37067 N ND1 . HIS W 412 0.4648 0.8720 0.8502 0.1037 0.0508 -0.0179 430 HIS c ND1 ? ? 1 +37068 C CE1 . HIS W 412 0.4798 0.8766 0.8521 0.1073 0.0535 -0.0203 430 HIS c CE1 ? ? 1 +37069 N NE2 . HIS W 412 0.4808 0.8825 0.8521 0.1078 0.0576 -0.0198 430 HIS c NE2 ? ? 1 +37070 C CD2 . HIS W 412 0.4650 0.8807 0.8495 0.1041 0.0575 -0.0169 430 HIS c CD2 ? ? 1 +37071 C C . HIS W 412 0.4213 0.8638 0.8385 0.0852 0.0449 -0.0095 430 HIS c C ? ? 1 +37072 O O . HIS W 412 0.4193 0.8679 0.8380 0.0851 0.0484 -0.0084 430 HIS c O ? ? 1 +37073 N N A PHE W 413 0.4112 0.8578 0.8368 0.0812 0.0404 -0.0081 431 PHE c N ? ? 1 +37074 N N B PHE W 413 0.4111 0.8581 0.8371 0.0814 0.0406 -0.0081 431 PHE c N ? ? 1 +37075 C CA A PHE W 413 0.3974 0.8554 0.8339 0.0764 0.0391 -0.0055 431 PHE c CA ? ? 1 +37076 C CA B PHE W 413 0.3976 0.8557 0.8340 0.0765 0.0392 -0.0055 431 PHE c CA ? ? 1 +37077 C C A PHE W 413 0.4001 0.8537 0.8295 0.0712 0.0360 -0.0056 431 PHE c C ? ? 1 +37078 C C B PHE W 413 0.4011 0.8544 0.8299 0.0715 0.0363 -0.0057 431 PHE c C ? ? 1 +37079 O O A PHE W 413 0.3946 0.8555 0.8280 0.0690 0.0372 -0.0039 431 PHE c O ? ? 1 +37080 O O B PHE W 413 0.3972 0.8572 0.8290 0.0697 0.0379 -0.0041 431 PHE c O ? ? 1 +37081 C CB A PHE W 413 0.3855 0.8491 0.8327 0.0738 0.0352 -0.0041 431 PHE c CB ? ? 1 +37082 C CB B PHE W 413 0.3858 0.8492 0.8328 0.0737 0.0352 -0.0041 431 PHE c CB ? ? 1 +37083 C CG A PHE W 413 0.3705 0.8466 0.8294 0.0695 0.0345 -0.0014 431 PHE c CG ? ? 1 +37084 C CG B PHE W 413 0.3707 0.8466 0.8293 0.0694 0.0345 -0.0014 431 PHE c CG ? ? 1 +37085 C CD1 A PHE W 413 0.3667 0.8420 0.8243 0.0636 0.0306 -0.0008 431 PHE c CD1 ? ? 1 +37086 C CD1 B PHE W 413 0.3665 0.8416 0.8241 0.0634 0.0303 -0.0008 431 PHE c CD1 ? ? 1 +37087 C CD2 A PHE W 413 0.3610 0.8496 0.8320 0.0717 0.0379 0.0003 431 PHE c CD2 ? ? 1 +37088 C CD2 B PHE W 413 0.3613 0.8498 0.8318 0.0716 0.0381 0.0003 431 PHE c CD2 ? ? 1 +37089 C CE1 A PHE W 413 0.3538 0.8400 0.8216 0.0600 0.0301 0.0017 431 PHE c CE1 ? ? 1 +37090 C CE1 B PHE W 413 0.3535 0.8395 0.8213 0.0598 0.0297 0.0017 431 PHE c CE1 ? ? 1 +37091 C CE2 A PHE W 413 0.3482 0.8476 0.8294 0.0677 0.0373 0.0027 431 PHE c CE2 ? ? 1 +37092 C CE2 B PHE W 413 0.3484 0.8476 0.8290 0.0676 0.0375 0.0027 431 PHE c CE2 ? ? 1 +37093 C CZ A PHE W 413 0.3448 0.8427 0.8240 0.0620 0.0336 0.0034 431 PHE c CZ ? ? 1 +37094 C CZ B PHE W 413 0.3447 0.8424 0.8237 0.0618 0.0334 0.0034 431 PHE c CZ ? ? 1 +37095 N N . VAL W 414 0.4096 0.8511 0.8284 0.0693 0.0320 -0.0078 432 VAL c N ? ? 1 +37096 C CA . VAL W 414 0.4130 0.8496 0.8245 0.0647 0.0285 -0.0084 432 VAL c CA ? ? 1 +37097 C CB . VAL W 414 0.4229 0.8466 0.8248 0.0623 0.0236 -0.0111 432 VAL c CB ? ? 1 +37098 C CG1 . VAL W 414 0.4307 0.8475 0.8220 0.0590 0.0205 -0.0127 432 VAL c CG1 ? ? 1 +37099 C CG2 . VAL W 414 0.4126 0.8392 0.8233 0.0583 0.0193 -0.0103 432 VAL c CG2 ? ? 1 +37100 C C . VAL W 414 0.4227 0.8568 0.8253 0.0671 0.0323 -0.0089 432 VAL c C ? ? 1 +37101 O O . VAL W 414 0.4193 0.8571 0.8221 0.0643 0.0318 -0.0077 432 VAL c O ? ? 1 +37102 N N . LEU W 415 0.4363 0.8635 0.8307 0.0724 0.0362 -0.0107 433 LEU c N ? ? 1 +37103 C CA . LEU W 415 0.4476 0.8721 0.8332 0.0753 0.0406 -0.0112 433 LEU c CA ? ? 1 +37104 C CB . LEU W 415 0.4619 0.8774 0.8383 0.0814 0.0443 -0.0137 433 LEU c CB ? ? 1 +37105 C CG . LEU W 415 0.4741 0.8748 0.8380 0.0807 0.0400 -0.0168 433 LEU c CG ? ? 1 +37106 C CD1 . LEU W 415 0.4878 0.8799 0.8427 0.0870 0.0440 -0.0192 433 LEU c CD1 ? ? 1 +37107 C CD2 . LEU W 415 0.4814 0.8749 0.8344 0.0768 0.0364 -0.0181 433 LEU c CD2 ? ? 1 +37108 C C . LEU W 415 0.4399 0.8772 0.8352 0.0760 0.0454 -0.0084 433 LEU c C ? ? 1 +37109 O O . LEU W 415 0.4430 0.8809 0.8342 0.0745 0.0465 -0.0076 433 LEU c O ? ? 1 +37110 N N . ALA W 416 0.4307 0.8782 0.8390 0.0780 0.0481 -0.0070 434 ALA c N ? ? 1 +37111 C CA . ALA W 416 0.4225 0.8826 0.8410 0.0785 0.0529 -0.0045 434 ALA c CA ? ? 1 +37112 C CB . ALA W 416 0.4129 0.8831 0.8451 0.0813 0.0550 -0.0037 434 ALA c CB ? ? 1 +37113 C C . ALA W 416 0.4130 0.8790 0.8364 0.0726 0.0499 -0.0022 434 ALA c C ? ? 1 +37114 O O . ALA W 416 0.4114 0.8820 0.8354 0.0721 0.0534 -0.0007 434 ALA c O ? ? 1 +37115 N N . PHE W 417 0.4068 0.8725 0.8338 0.0683 0.0436 -0.0020 435 PHE c N ? ? 1 +37116 C CA . PHE W 417 0.3983 0.8694 0.8303 0.0629 0.0402 0.0001 435 PHE c CA ? ? 1 +37117 C CB . PHE W 417 0.3918 0.8629 0.8288 0.0588 0.0337 0.0000 435 PHE c CB ? ? 1 +37118 C CG . PHE W 417 0.3857 0.8611 0.8261 0.0535 0.0301 0.0017 435 PHE c CG ? ? 1 +37119 C CD1 . PHE W 417 0.3746 0.8615 0.8263 0.0520 0.0318 0.0045 435 PHE c CD1 ? ? 1 +37120 C CD2 . PHE W 417 0.3922 0.8598 0.8239 0.0502 0.0250 0.0003 435 PHE c CD2 ? ? 1 +37121 C CE1 . PHE W 417 0.3694 0.8596 0.8236 0.0475 0.0286 0.0060 435 PHE c CE1 ? ? 1 +37122 C CE2 . PHE W 417 0.3863 0.8581 0.8212 0.0457 0.0216 0.0018 435 PHE c CE2 ? ? 1 +37123 C CZ . PHE W 417 0.3749 0.8577 0.8207 0.0445 0.0234 0.0047 435 PHE c CZ ? ? 1 +37124 C C . PHE W 417 0.4071 0.8714 0.8272 0.0613 0.0394 -0.0004 435 PHE c C ? ? 1 +37125 O O . PHE W 417 0.4025 0.8720 0.8247 0.0596 0.0410 0.0017 435 PHE c O ? ? 1 +37126 N N . PHE W 418 0.4210 0.8730 0.8280 0.0618 0.0367 -0.0031 436 PHE c N ? ? 1 +37127 C CA . PHE W 418 0.4321 0.8765 0.8266 0.0605 0.0351 -0.0039 436 PHE c CA ? ? 1 +37128 C CB . PHE W 418 0.4469 0.8782 0.8287 0.0603 0.0309 -0.0073 436 PHE c CB ? ? 1 +37129 C CG . PHE W 418 0.4429 0.8737 0.8279 0.0550 0.0234 -0.0078 436 PHE c CG ? ? 1 +37130 C CD1 . PHE W 418 0.4395 0.8736 0.8258 0.0509 0.0197 -0.0066 436 PHE c CD1 ? ? 1 +37131 C CD2 . PHE W 418 0.4434 0.8703 0.8301 0.0541 0.0204 -0.0095 436 PHE c CD2 ? ? 1 +37132 C CE1 . PHE W 418 0.4357 0.8702 0.8258 0.0460 0.0131 -0.0073 436 PHE c CE1 ? ? 1 +37133 C CE2 . PHE W 418 0.4394 0.8662 0.8294 0.0489 0.0141 -0.0100 436 PHE c CE2 ? ? 1 +37134 C CZ . PHE W 418 0.4347 0.8657 0.8268 0.0449 0.0105 -0.0090 436 PHE c CZ ? ? 1 +37135 C C . PHE W 418 0.4395 0.8835 0.8277 0.0641 0.0417 -0.0032 436 PHE c C ? ? 1 +37136 O O . PHE W 418 0.4413 0.8839 0.8237 0.0625 0.0415 -0.0023 436 PHE c O ? ? 1 +37137 N N . PHE W 419 0.4427 0.8879 0.8322 0.0689 0.0477 -0.0037 437 PHE c N ? ? 1 +37138 C CA . PHE W 419 0.4491 0.8948 0.8340 0.0724 0.0548 -0.0030 437 PHE c CA ? ? 1 +37139 C CB . PHE W 419 0.4571 0.9011 0.8408 0.0782 0.0602 -0.0047 437 PHE c CB ? ? 1 +37140 C CG . PHE W 419 0.4753 0.9047 0.8418 0.0809 0.0597 -0.0078 437 PHE c CG ? ? 1 +37141 C CD1 . PHE W 419 0.4804 0.9006 0.8404 0.0789 0.0530 -0.0100 437 PHE c CD1 ? ? 1 +37142 C CD2 . PHE W 419 0.4883 0.9128 0.8446 0.0849 0.0657 -0.0085 437 PHE c CD2 ? ? 1 +37143 C CE1 . PHE W 419 0.4971 0.9035 0.8409 0.0811 0.0523 -0.0130 437 PHE c CE1 ? ? 1 +37144 C CE2 . PHE W 419 0.5061 0.9167 0.8459 0.0873 0.0650 -0.0115 437 PHE c CE2 ? ? 1 +37145 C CZ . PHE W 419 0.5099 0.9115 0.8436 0.0853 0.0582 -0.0137 437 PHE c CZ ? ? 1 +37146 C C . PHE W 419 0.4369 0.8946 0.8328 0.0704 0.0581 0.0003 437 PHE c C ? ? 1 +37147 O O . PHE W 419 0.4431 0.9001 0.8334 0.0711 0.0623 0.0013 437 PHE c O ? ? 1 +37148 N N . LEU W 420 0.4211 0.8891 0.8319 0.0679 0.0560 0.0019 438 LEU c N ? ? 1 +37149 C CA . LEU W 420 0.4110 0.8897 0.8320 0.0652 0.0580 0.0050 438 LEU c CA ? ? 1 +37150 C CB . LEU W 420 0.3960 0.8860 0.8339 0.0633 0.0561 0.0063 438 LEU c CB ? ? 1 +37151 C CG . LEU W 420 0.3856 0.8869 0.8346 0.0605 0.0583 0.0093 438 LEU c CG ? ? 1 +37152 C CD1 . LEU W 420 0.3886 0.8957 0.8410 0.0636 0.0667 0.0100 438 LEU c CD1 ? ? 1 +37153 C CD2 . LEU W 420 0.3710 0.8815 0.8346 0.0580 0.0547 0.0104 438 LEU c CD2 ? ? 1 +37154 C C . LEU W 420 0.4111 0.8864 0.8260 0.0611 0.0540 0.0061 438 LEU c C ? ? 1 +37155 O O . LEU W 420 0.4124 0.8901 0.8261 0.0604 0.0575 0.0080 438 LEU c O ? ? 1 +37156 N N . VAL W 421 0.4093 0.8789 0.8201 0.0584 0.0467 0.0048 439 VAL c N ? ? 1 +37157 C CA . VAL W 421 0.4098 0.8754 0.8140 0.0550 0.0422 0.0054 439 VAL c CA ? ? 1 +37158 C CB . VAL W 421 0.4084 0.8692 0.8107 0.0520 0.0340 0.0035 439 VAL c CB ? ? 1 +37159 C CG1 . VAL W 421 0.4139 0.8693 0.8071 0.0494 0.0293 0.0033 439 VAL c CG1 ? ? 1 +37160 C CG2 . VAL W 421 0.3923 0.8624 0.8099 0.0490 0.0310 0.0046 439 VAL c CG2 ? ? 1 +37161 C C . VAL W 421 0.4254 0.8818 0.8138 0.0574 0.0451 0.0047 439 VAL c C ? ? 1 +37162 O O . VAL W 421 0.4276 0.8841 0.8124 0.0559 0.0454 0.0064 439 VAL c O ? ? 1 +37163 N N . GLY W 422 0.4374 0.8853 0.8158 0.0611 0.0471 0.0021 440 GLY c N ? ? 1 +37164 C CA . GLY W 422 0.4536 0.8922 0.8164 0.0639 0.0505 0.0013 440 GLY c CA ? ? 1 +37165 C C . GLY W 422 0.4539 0.8978 0.8186 0.0654 0.0584 0.0039 440 GLY c C ? ? 1 +37166 O O . GLY W 422 0.4642 0.9031 0.8185 0.0655 0.0598 0.0047 440 GLY c O ? ? 1 +37167 N N . HIS W 423 0.4431 0.8972 0.8212 0.0666 0.0634 0.0050 441 HIS c N ? ? 1 +37168 C CA . HIS W 423 0.4398 0.9008 0.8225 0.0674 0.0709 0.0074 441 HIS c CA ? ? 1 +37169 C CB . HIS W 423 0.4276 0.9006 0.8267 0.0687 0.0752 0.0080 441 HIS c CB ? ? 1 +37170 C CG . HIS W 423 0.4218 0.9038 0.8286 0.0679 0.0818 0.0106 441 HIS c CG ? ? 1 +37171 N ND1 . HIS W 423 0.4325 0.9114 0.8315 0.0705 0.0894 0.0108 441 HIS c ND1 ? ? 1 +37172 C CE1 . HIS W 423 0.4253 0.9135 0.8339 0.0684 0.0939 0.0134 441 HIS c CE1 ? ? 1 +37173 N NE2 . HIS W 423 0.4100 0.9067 0.8317 0.0648 0.0893 0.0147 441 HIS c NE2 ? ? 1 +37174 C CD2 . HIS W 423 0.4072 0.9001 0.8279 0.0645 0.0817 0.0130 441 HIS c CD2 ? ? 1 +37175 C C . HIS W 423 0.4332 0.8977 0.8183 0.0632 0.0691 0.0103 441 HIS c C ? ? 1 +37176 O O . HIS W 423 0.4410 0.9021 0.8179 0.0634 0.0730 0.0116 441 HIS c O ? ? 1 +37177 N N . LEU W 424 0.4200 0.8908 0.8158 0.0594 0.0633 0.0112 442 LEU c N ? ? 1 +37178 C CA . LEU W 424 0.4149 0.8889 0.8132 0.0555 0.0609 0.0138 442 LEU c CA ? ? 1 +37179 C CB . LEU W 424 0.4015 0.8821 0.8119 0.0517 0.0540 0.0142 442 LEU c CB ? ? 1 +37180 C CG . LEU W 424 0.3883 0.8808 0.8159 0.0513 0.0559 0.0150 442 LEU c CG ? ? 1 +37181 C CD1 . LEU W 424 0.3759 0.8727 0.8127 0.0478 0.0488 0.0151 442 LEU c CD1 ? ? 1 +37182 C CD2 . LEU W 424 0.3834 0.8845 0.8192 0.0506 0.0622 0.0177 442 LEU c CD2 ? ? 1 +37183 C C . LEU W 424 0.4269 0.8899 0.8088 0.0552 0.0579 0.0135 442 LEU c C ? ? 1 +37184 O O . LEU W 424 0.4298 0.8924 0.8081 0.0541 0.0600 0.0158 442 LEU c O ? ? 1 +37185 N N A TRP W 425 0.4348 0.8887 0.8068 0.0560 0.0527 0.0107 443 TRP c N ? ? 1 +37186 N N B TRP W 425 0.4351 0.8890 0.8070 0.0561 0.0528 0.0107 443 TRP c N ? ? 1 +37187 C CA A TRP W 425 0.4473 0.8906 0.8035 0.0559 0.0487 0.0098 443 TRP c CA ? ? 1 +37188 C CA B TRP W 425 0.4474 0.8908 0.8037 0.0559 0.0488 0.0099 443 TRP c CA ? ? 1 +37189 C C A TRP W 425 0.4621 0.8982 0.8048 0.0591 0.0554 0.0104 443 TRP c C ? ? 1 +37190 C C B TRP W 425 0.4621 0.8983 0.8048 0.0591 0.0555 0.0105 443 TRP c C ? ? 1 +37191 O O A TRP W 425 0.4673 0.9003 0.8028 0.0583 0.0554 0.0122 443 TRP c O ? ? 1 +37192 O O B TRP W 425 0.4677 0.9006 0.8030 0.0584 0.0557 0.0122 443 TRP c O ? ? 1 +37193 C CB A TRP W 425 0.4540 0.8890 0.8027 0.0564 0.0426 0.0062 443 TRP c CB ? ? 1 +37194 C CB B TRP W 425 0.4538 0.8892 0.8029 0.0562 0.0423 0.0063 443 TRP c CB ? ? 1 +37195 C CG A TRP W 425 0.4672 0.8916 0.8000 0.0563 0.0378 0.0049 443 TRP c CG ? ? 1 +37196 C CG B TRP W 425 0.4673 0.8920 0.8004 0.0562 0.0378 0.0050 443 TRP c CG ? ? 1 +37197 C CD1 A TRP W 425 0.4852 0.8986 0.8010 0.0596 0.0402 0.0035 443 TRP c CD1 ? ? 1 +37198 C CD1 B TRP W 425 0.4852 0.8992 0.8016 0.0595 0.0405 0.0038 443 TRP c CD1 ? ? 1 +37199 C CD2 A TRP W 425 0.4645 0.8884 0.7969 0.0529 0.0297 0.0048 443 TRP c CD2 ? ? 1 +37200 C CD2 B TRP W 425 0.4653 0.8893 0.7977 0.0529 0.0297 0.0048 443 TRP c CD2 ? ? 1 +37201 N NE1 A TRP W 425 0.4936 0.8996 0.7983 0.0585 0.0337 0.0025 443 TRP c NE1 ? ? 1 +37202 N NE1 B TRP W 425 0.4941 0.9005 0.7990 0.0585 0.0342 0.0028 443 TRP c NE1 ? ? 1 +37203 C CE2 A TRP W 425 0.4810 0.8936 0.7959 0.0544 0.0272 0.0032 443 TRP c CE2 ? ? 1 +37204 C CE2 B TRP W 425 0.4819 0.8946 0.7967 0.0545 0.0274 0.0033 443 TRP c CE2 ? ? 1 +37205 C CE3 A TRP W 425 0.4497 0.8819 0.7949 0.0489 0.0243 0.0057 443 TRP c CE3 ? ? 1 +37206 C CE3 B TRP W 425 0.4509 0.8828 0.7958 0.0489 0.0240 0.0056 443 TRP c CE3 ? ? 1 +37207 C CZ2 A TRP W 425 0.4828 0.8926 0.7932 0.0522 0.0192 0.0024 443 TRP c CZ2 ? ? 1 +37208 C CZ2 B TRP W 425 0.4841 0.8938 0.7942 0.0522 0.0194 0.0025 443 TRP c CZ2 ? ? 1 +37209 C CZ3 A TRP W 425 0.4512 0.8806 0.7920 0.0466 0.0168 0.0050 443 TRP c CZ3 ? ? 1 +37210 C CZ3 B TRP W 425 0.4526 0.8816 0.7930 0.0466 0.0164 0.0048 443 TRP c CZ3 ? ? 1 +37211 C CH2 A TRP W 425 0.4675 0.8861 0.7914 0.0483 0.0142 0.0033 443 TRP c CH2 ? ? 1 +37212 C CH2 B TRP W 425 0.4691 0.8874 0.7925 0.0483 0.0141 0.0032 443 TRP c CH2 ? ? 1 +37213 N N . HIS W 426 0.4693 0.9026 0.8082 0.0629 0.0610 0.0089 444 HIS c N ? ? 1 +37214 C CA . HIS W 426 0.4844 0.9104 0.8099 0.0662 0.0679 0.0090 444 HIS c CA ? ? 1 +37215 C CB . HIS W 426 0.4941 0.9147 0.8138 0.0705 0.0712 0.0061 444 HIS c CB ? ? 1 +37216 C CG . HIS W 426 0.5038 0.9132 0.8111 0.0711 0.0643 0.0028 444 HIS c CG ? ? 1 +37217 N ND1 . HIS W 426 0.5180 0.9164 0.8084 0.0714 0.0615 0.0021 444 HIS c ND1 ? ? 1 +37218 C CE1 . HIS W 426 0.5237 0.9145 0.8072 0.0717 0.0554 -0.0013 444 HIS c CE1 ? ? 1 +37219 N NE2 . HIS W 426 0.5141 0.9100 0.8087 0.0715 0.0544 -0.0026 444 HIS c NE2 ? ? 1 +37220 C CD2 . HIS W 426 0.5014 0.9092 0.8112 0.0713 0.0599 0.0000 444 HIS c CD2 ? ? 1 +37221 C C . HIS W 426 0.4799 0.9130 0.8116 0.0658 0.0758 0.0124 444 HIS c C ? ? 1 +37222 O O . HIS W 426 0.4925 0.9195 0.8127 0.0668 0.0797 0.0136 444 HIS c O ? ? 1 +37223 N N . ALA W 427 0.4629 0.9088 0.8126 0.0643 0.0782 0.0138 445 ALA c N ? ? 1 +37224 C CA . ALA W 427 0.4575 0.9109 0.8145 0.0634 0.0855 0.0167 445 ALA c CA ? ? 1 +37225 C CB . ALA W 427 0.4409 0.9084 0.8181 0.0624 0.0876 0.0173 445 ALA c CB ? ? 1 +37226 C C . ALA W 427 0.4546 0.9071 0.8091 0.0599 0.0828 0.0195 445 ALA c C ? ? 1 +37227 O O . ALA W 427 0.4611 0.9115 0.8099 0.0600 0.0886 0.0216 445 ALA c O ? ? 1 +37228 N N . GLY W 428 0.4440 0.8981 0.8029 0.0570 0.0742 0.0195 446 GLY c N ? ? 1 +37229 C CA . GLY W 428 0.4418 0.8948 0.7984 0.0541 0.0706 0.0218 446 GLY c CA ? ? 1 +37230 C C . GLY W 428 0.4597 0.8994 0.7959 0.0558 0.0701 0.0217 446 GLY c C ? ? 1 +37231 O O . GLY W 428 0.4643 0.9017 0.7954 0.0549 0.0722 0.0243 446 GLY c O ? ? 1 +37232 N N . ARG W 429 0.4705 0.9011 0.7949 0.0584 0.0671 0.0186 447 ARG c N ? ? 1 +37233 C CA . ARG W 429 0.4887 0.9061 0.7930 0.0604 0.0656 0.0179 447 ARG c CA ? ? 1 +37234 C CB . ARG W 429 0.4969 0.9064 0.7925 0.0620 0.0593 0.0140 447 ARG c CB ? ? 1 +37235 C CG . ARG W 429 0.5134 0.9103 0.7899 0.0631 0.0543 0.0130 447 ARG c CG ? ? 1 +37236 C CD . ARG W 429 0.5232 0.9115 0.7897 0.0648 0.0491 0.0088 447 ARG c CD ? ? 1 +37237 N NE . ARG W 429 0.5391 0.9157 0.7875 0.0659 0.0442 0.0077 447 ARG c NE ? ? 1 +37238 C CZ . ARG W 429 0.5573 0.9237 0.7886 0.0691 0.0487 0.0081 447 ARG c CZ ? ? 1 +37239 N NH1 . ARG W 429 0.5631 0.9284 0.7919 0.0718 0.0584 0.0089 447 ARG c NH1 ? ? 1 +37240 N NH2 . ARG W 429 0.5704 0.9273 0.7866 0.0698 0.0433 0.0076 447 ARG c NH2 ? ? 1 +37241 C C . ARG W 429 0.5021 0.9138 0.7957 0.0634 0.0752 0.0190 447 ARG c C ? ? 1 +37242 O O . ARG W 429 0.5149 0.9180 0.7944 0.0641 0.0761 0.0203 447 ARG c O ? ? 1 +37243 N N . ALA W 430 0.4998 0.9161 0.7997 0.0653 0.0824 0.0183 448 ALA c N ? ? 1 +37244 C CA . ALA W 430 0.5115 0.9242 0.8036 0.0679 0.0924 0.0193 448 ALA c CA ? ? 1 +37245 C CB . ALA W 430 0.5070 0.9268 0.8094 0.0700 0.0987 0.0179 448 ALA c CB ? ? 1 +37246 C C . ALA W 430 0.5091 0.9253 0.8040 0.0654 0.0971 0.0232 448 ALA c C ? ? 1 +37247 O O . ALA W 430 0.5230 0.9304 0.8036 0.0667 0.1014 0.0246 448 ALA c O ? ? 1 +37248 N N . ARG W 431 0.4917 0.9202 0.8049 0.0620 0.0962 0.0249 449 ARG c N ? ? 1 +37249 C CA . ARG W 431 0.4887 0.9214 0.8066 0.0590 0.0998 0.0285 449 ARG c CA ? ? 1 +37250 C CB . ARG W 431 0.4678 0.9148 0.8072 0.0554 0.0975 0.0296 449 ARG c CB ? ? 1 +37251 C CG . ARG W 431 0.4595 0.9180 0.8143 0.0554 0.1051 0.0295 449 ARG c CG ? ? 1 +37252 C CD . ARG W 431 0.4621 0.9237 0.8195 0.0536 0.1137 0.0326 449 ARG c CD ? ? 1 +37253 N NE . ARG W 431 0.4539 0.9273 0.8268 0.0535 0.1210 0.0323 449 ARG c NE ? ? 1 +37254 C CZ . ARG W 431 0.4417 0.9262 0.8299 0.0501 0.1241 0.0343 449 ARG c CZ ? ? 1 +37255 N NH1 . ARG W 431 0.4399 0.9236 0.8279 0.0466 0.1229 0.0371 449 ARG c NH1 ? ? 1 +37256 N NH2 . ARG W 431 0.4328 0.9290 0.8365 0.0504 0.1284 0.0332 449 ARG c NH2 ? ? 1 +37257 C C . ARG W 431 0.4987 0.9214 0.8023 0.0583 0.0951 0.0301 449 ARG c C ? ? 1 +37258 O O . ARG W 431 0.5088 0.9259 0.8030 0.0584 0.1006 0.0325 449 ARG c O ? ? 1 +37259 N N . ALA W 432 0.4963 0.9168 0.7983 0.0575 0.0848 0.0288 450 ALA c N ? ? 1 +37260 C CA . ALA W 432 0.5047 0.9170 0.7948 0.0569 0.0790 0.0300 450 ALA c CA ? ? 1 +37261 C CB . ALA W 432 0.4959 0.9101 0.7905 0.0555 0.0678 0.0281 450 ALA c CB ? ? 1 +37262 C C . ALA W 432 0.5286 0.9259 0.7958 0.0605 0.0808 0.0294 450 ALA c C ? ? 1 +37263 O O . ALA W 432 0.5386 0.9288 0.7945 0.0606 0.0813 0.0317 450 ALA c O ? ? 1 +37264 N N . ALA W 433 0.5395 0.9316 0.7992 0.0636 0.0818 0.0264 451 ALA c N ? ? 1 +37265 C CA . ALA W 433 0.5638 0.9416 0.8015 0.0672 0.0837 0.0254 451 ALA c CA ? ? 1 +37266 C CB . ALA W 433 0.5694 0.9430 0.8021 0.0701 0.0821 0.0213 451 ALA c CB ? ? 1 +37267 C C . ALA W 433 0.5774 0.9514 0.8078 0.0685 0.0950 0.0280 451 ALA c C ? ? 1 +37268 O O . ALA W 433 0.5949 0.9573 0.8074 0.0702 0.0962 0.0292 451 ALA c O ? ? 1 +37269 N N . ALA W 434 0.5709 0.9549 0.8152 0.0677 0.1033 0.0288 452 ALA c N ? ? 1 +37270 C CA . ALA W 434 0.5823 0.9646 0.8224 0.0683 0.1147 0.0312 452 ALA c CA ? ? 1 +37271 C CB . ALA W 434 0.5707 0.9658 0.8286 0.0677 0.1224 0.0309 452 ALA c CB ? ? 1 +37272 C C . ALA W 434 0.5852 0.9662 0.8234 0.0655 0.1157 0.0352 452 ALA c C ? ? 1 +37273 O O . ALA W 434 0.6029 0.9753 0.8278 0.0665 0.1225 0.0372 452 ALA c O ? ? 1 +37274 N N . ALA W 435 0.5713 0.9604 0.8226 0.0621 0.1093 0.0363 453 ALA c N ? ? 1 +37275 C CA . ALA W 435 0.5730 0.9610 0.8234 0.0594 0.1095 0.0400 453 ALA c CA ? ? 1 +37276 C CB . ALA W 435 0.5512 0.9533 0.8233 0.0553 0.1063 0.0410 453 ALA c CB ? ? 1 +37277 C C . ALA W 435 0.5871 0.9626 0.8196 0.0609 0.1015 0.0402 453 ALA c C ? ? 1 +37278 O O . ALA W 435 0.5944 0.9648 0.8201 0.0599 0.1020 0.0433 453 ALA c O ? ? 1 +37279 N N . GLY W 436 0.5919 0.9625 0.8172 0.0633 0.0940 0.0369 454 GLY c N ? ? 1 +37280 C CA . GLY W 436 0.6072 0.9649 0.8134 0.0655 0.0869 0.0363 454 GLY c CA ? ? 1 +37281 C C . GLY W 436 0.5978 0.9583 0.8089 0.0636 0.0756 0.0363 454 GLY c C ? ? 1 +37282 O O . GLY W 436 0.6095 0.9609 0.8070 0.0648 0.0713 0.0374 454 GLY c O ? ? 1 +37283 N N A PHE W 437 0.5787 0.9516 0.8090 0.0610 0.0709 0.0349 455 PHE c N ? ? 1 +37284 N N B PHE W 437 0.5777 0.9507 0.8081 0.0610 0.0710 0.0350 455 PHE c N ? ? 1 +37285 C CA A PHE W 437 0.5692 0.9457 0.8053 0.0592 0.0602 0.0344 455 PHE c CA ? ? 1 +37286 C CA B PHE W 437 0.5678 0.9443 0.8039 0.0592 0.0602 0.0344 455 PHE c CA ? ? 1 +37287 C C A PHE W 437 0.5572 0.9403 0.8040 0.0584 0.0533 0.0307 455 PHE c C ? ? 1 +37288 C C B PHE W 437 0.5555 0.9385 0.8021 0.0584 0.0533 0.0306 455 PHE c C ? ? 1 +37289 O O A PHE W 437 0.5425 0.9339 0.8023 0.0557 0.0468 0.0305 455 PHE c O ? ? 1 +37290 O O B PHE W 437 0.5417 0.9324 0.8004 0.0558 0.0464 0.0304 455 PHE c O ? ? 1 +37291 C CB A PHE W 437 0.5565 0.9417 0.8063 0.0557 0.0613 0.0379 455 PHE c CB ? ? 1 +37292 C CB B PHE W 437 0.5547 0.9401 0.8048 0.0556 0.0613 0.0379 455 PHE c CB ? ? 1 +37293 C CG A PHE W 437 0.5428 0.9401 0.8108 0.0531 0.0690 0.0392 455 PHE c CG ? ? 1 +37294 C CG B PHE W 437 0.5407 0.9383 0.8092 0.0530 0.0688 0.0391 455 PHE c CG ? ? 1 +37295 C CD1 A PHE W 437 0.5248 0.9337 0.8107 0.0511 0.0662 0.0373 455 PHE c CD1 ? ? 1 +37296 C CD1 B PHE W 437 0.5228 0.9319 0.8090 0.0511 0.0659 0.0372 455 PHE c CD1 ? ? 1 +37297 C CD2 A PHE W 437 0.5485 0.9452 0.8155 0.0525 0.0791 0.0422 455 PHE c CD2 ? ? 1 +37298 C CD2 B PHE W 437 0.5458 0.9431 0.8139 0.0523 0.0787 0.0422 455 PHE c CD2 ? ? 1 +37299 C CE1 A PHE W 437 0.5125 0.9326 0.8149 0.0490 0.0728 0.0383 455 PHE c CE1 ? ? 1 +37300 C CE1 B PHE W 437 0.5103 0.9306 0.8132 0.0490 0.0724 0.0382 455 PHE c CE1 ? ? 1 +37301 C CE2 A PHE W 437 0.5353 0.9436 0.8196 0.0501 0.0858 0.0431 455 PHE c CE2 ? ? 1 +37302 C CE2 B PHE W 437 0.5321 0.9413 0.8178 0.0498 0.0852 0.0431 455 PHE c CE2 ? ? 1 +37303 C CZ A PHE W 437 0.5175 0.9375 0.8193 0.0485 0.0824 0.0411 455 PHE c CZ ? ? 1 +37304 C CZ B PHE W 437 0.5147 0.9354 0.8176 0.0483 0.0818 0.0410 455 PHE c CZ ? ? 1 +37305 N N A GLU W 438 0.5652 0.9437 0.8052 0.0608 0.0545 0.0276 456 GLU c N ? ? 1 +37306 N N B GLU W 438 0.5625 0.9413 0.8030 0.0608 0.0549 0.0277 456 GLU c N ? ? 1 +37307 C CA A GLU W 438 0.5563 0.9396 0.8048 0.0602 0.0487 0.0240 456 GLU c CA ? ? 1 +37308 C CA B GLU W 438 0.5539 0.9371 0.8024 0.0602 0.0488 0.0240 456 GLU c CA ? ? 1 +37309 C C A GLU W 438 0.5628 0.9407 0.8036 0.0603 0.0375 0.0215 456 GLU c C ? ? 1 +37310 C C B GLU W 438 0.5602 0.9382 0.8012 0.0603 0.0376 0.0216 456 GLU c C ? ? 1 +37311 O O A GLU W 438 0.5524 0.9351 0.8019 0.0588 0.0312 0.0187 456 GLU c O ? ? 1 +37312 O O B GLU W 438 0.5486 0.9320 0.7992 0.0586 0.0311 0.0190 456 GLU c O ? ? 1 +37313 C CB A GLU W 438 0.5626 0.9422 0.8063 0.0629 0.0541 0.0215 456 GLU c CB ? ? 1 +37314 C CB B GLU W 438 0.5599 0.9393 0.8033 0.0630 0.0542 0.0215 456 GLU c CB ? ? 1 +37315 C CG A GLU W 438 0.5827 0.9480 0.8049 0.0665 0.0520 0.0189 456 GLU c CG ? ? 1 +37316 C CG B GLU W 438 0.5802 0.9451 0.8017 0.0667 0.0527 0.0190 456 GLU c CG ? ? 1 +37317 C CD A GLU W 438 0.6010 0.9553 0.8050 0.0692 0.0580 0.0211 456 GLU c CD ? ? 1 +37318 C CD B GLU W 438 0.5976 0.9520 0.8017 0.0693 0.0591 0.0213 456 GLU c CD ? ? 1 +37319 O OE1 A GLU W 438 0.5985 0.9556 0.8057 0.0680 0.0635 0.0248 456 GLU c OE1 ? ? 1 +37320 O OE1 B GLU W 438 0.5942 0.9519 0.8022 0.0680 0.0642 0.0250 456 GLU c OE1 ? ? 1 +37321 O OE2 A GLU W 438 0.6182 0.9605 0.8042 0.0725 0.0573 0.0189 456 GLU c OE2 ? ? 1 +37322 O OE2 B GLU W 438 0.6147 0.9571 0.8007 0.0727 0.0592 0.0193 456 GLU c OE2 ? ? 1 +37323 N N A LYS W 439 0.5806 0.9485 0.8051 0.0622 0.0351 0.0224 457 LYS c N ? ? 1 +37324 N N B LYS W 439 0.5793 0.9469 0.8033 0.0623 0.0352 0.0223 457 LYS c N ? ? 1 +37325 C CA A LYS W 439 0.5894 0.9521 0.8057 0.0627 0.0244 0.0199 457 LYS c CA ? ? 1 +37326 C CA B LYS W 439 0.5882 0.9508 0.8045 0.0627 0.0245 0.0199 457 LYS c CA ? ? 1 +37327 C C A LYS W 439 0.5826 0.9504 0.8058 0.0605 0.0182 0.0218 457 LYS c C ? ? 1 +37328 C C B LYS W 439 0.5810 0.9491 0.8047 0.0604 0.0183 0.0218 457 LYS c C ? ? 1 +37329 O O A LYS W 439 0.5872 0.9522 0.8054 0.0608 0.0090 0.0199 457 LYS c O ? ? 1 +37330 O O B LYS W 439 0.5853 0.9510 0.8047 0.0606 0.0090 0.0198 457 LYS c O ? ? 1 +37331 C CB A LYS W 439 0.6144 0.9618 0.8066 0.0667 0.0242 0.0191 457 LYS c CB ? ? 1 +37332 C CB B LYS W 439 0.6136 0.9609 0.8057 0.0667 0.0242 0.0191 457 LYS c CB ? ? 1 +37333 C CG A LYS W 439 0.6271 0.9676 0.8098 0.0694 0.0300 0.0169 457 LYS c CG ? ? 1 +37334 C CG B LYS W 439 0.6274 0.9675 0.8093 0.0695 0.0304 0.0172 457 LYS c CG ? ? 1 +37335 C CD A LYS W 439 0.6518 0.9771 0.8105 0.0733 0.0279 0.0153 457 LYS c CD ? ? 1 +37336 C CD B LYS W 439 0.6523 0.9772 0.8103 0.0733 0.0279 0.0156 457 LYS c CD ? ? 1 +37337 C CE A LYS W 439 0.6658 0.9836 0.8140 0.0762 0.0355 0.0139 457 LYS c CE ? ? 1 +37338 C CE B LYS W 439 0.6673 0.9843 0.8141 0.0764 0.0353 0.0141 457 LYS c CE ? ? 1 +37339 N NZ A LYS W 439 0.6722 0.9884 0.8170 0.0773 0.0469 0.0177 457 LYS c NZ ? ? 1 +37340 N NZ B LYS W 439 0.6742 0.9896 0.8177 0.0775 0.0468 0.0179 457 LYS c NZ ? ? 1 +37341 N N A GLY W 440 0.5737 0.9491 0.8084 0.0584 0.0232 0.0255 458 GLY c N ? ? 1 +37342 N N B GLY W 440 0.5725 0.9481 0.8075 0.0584 0.0235 0.0256 458 GLY c N ? ? 1 +37343 C CA A GLY W 440 0.5654 0.9464 0.8081 0.0563 0.0180 0.0275 458 GLY c CA ? ? 1 +37344 C CA B GLY W 440 0.5639 0.9453 0.8072 0.0562 0.0182 0.0275 458 GLY c CA ? ? 1 +37345 C C A GLY W 440 0.5721 0.9504 0.8104 0.0566 0.0240 0.0320 458 GLY c C ? ? 1 +37346 C C B GLY W 440 0.5710 0.9495 0.8097 0.0565 0.0240 0.0320 458 GLY c C ? ? 1 +37347 O O A GLY W 440 0.5835 0.9550 0.8116 0.0584 0.0323 0.0337 458 GLY c O ? ? 1 +37348 O O B GLY W 440 0.5823 0.9539 0.8106 0.0584 0.0323 0.0336 458 GLY c O ? ? 1 +37349 N N A ILE W 441 0.5659 0.9492 0.8118 0.0548 0.0197 0.0340 459 ILE c N ? ? 1 +37350 N N B ILE W 441 0.5651 0.9486 0.8113 0.0547 0.0197 0.0339 459 ILE c N ? ? 1 +37351 C CA A ILE W 441 0.5727 0.9533 0.8151 0.0547 0.0243 0.0383 459 ILE c CA ? ? 1 +37352 C CA B ILE W 441 0.5720 0.9530 0.8149 0.0546 0.0243 0.0382 459 ILE c CA ? ? 1 +37353 C C A ILE W 441 0.5976 0.9644 0.8183 0.0584 0.0211 0.0389 459 ILE c C ? ? 1 +37354 C C B ILE W 441 0.5977 0.9649 0.8191 0.0583 0.0210 0.0388 459 ILE c C ? ? 1 +37355 O O A ILE W 441 0.6017 0.9661 0.8174 0.0597 0.0115 0.0366 459 ILE c O ? ? 1 +37356 O O B ILE W 441 0.6021 0.9669 0.8184 0.0596 0.0115 0.0365 459 ILE c O ? ? 1 +37357 C CB A ILE W 441 0.5537 0.9453 0.8133 0.0514 0.0208 0.0399 459 ILE c CB ? ? 1 +37358 C CB B ILE W 441 0.5526 0.9448 0.8130 0.0513 0.0208 0.0398 459 ILE c CB ? ? 1 +37359 C CG1 A ILE W 441 0.5336 0.9385 0.8141 0.0479 0.0242 0.0394 459 ILE c CG1 ? ? 1 +37360 C CG1 B ILE W 441 0.5325 0.9378 0.8135 0.0479 0.0245 0.0393 459 ILE c CG1 ? ? 1 +37361 C CG2 A ILE W 441 0.5588 0.9465 0.8137 0.0514 0.0247 0.0443 459 ILE c CG2 ? ? 1 +37362 C CG2 B ILE W 441 0.5573 0.9457 0.8133 0.0512 0.0244 0.0441 459 ILE c CG2 ? ? 1 +37363 C CD1 A ILE W 441 0.5156 0.9314 0.8129 0.0448 0.0188 0.0397 459 ILE c CD1 ? ? 1 +37364 C CD1 B ILE W 441 0.5144 0.9308 0.8127 0.0447 0.0194 0.0397 459 ILE c CD1 ? ? 1 +37365 N N A ASP W 442 0.6167 0.9746 0.8247 0.0600 0.0292 0.0419 460 ASP c N ? ? 1 +37366 N N B ASP W 442 0.6176 0.9760 0.8264 0.0599 0.0290 0.0419 460 ASP c N ? ? 1 +37367 C CA A ASP W 442 0.6414 0.9854 0.8282 0.0636 0.0273 0.0433 460 ASP c CA ? ? 1 +37368 C CA B ASP W 442 0.6436 0.9881 0.8310 0.0635 0.0268 0.0431 460 ASP c CA ? ? 1 +37369 C C A ASP W 442 0.6391 0.9853 0.8297 0.0628 0.0215 0.0454 460 ASP c C ? ? 1 +37370 C C B ASP W 442 0.6418 0.9881 0.8325 0.0628 0.0212 0.0454 460 ASP c C ? ? 1 +37371 O O A ASP W 442 0.6300 0.9826 0.8321 0.0601 0.0259 0.0485 460 ASP c O ? ? 1 +37372 O O B ASP W 442 0.6341 0.9861 0.8354 0.0602 0.0260 0.0486 460 ASP c O ? ? 1 +37373 C CB A ASP W 442 0.6581 0.9927 0.8319 0.0649 0.0386 0.0463 460 ASP c CB ? ? 1 +37374 C CB B ASP W 442 0.6624 0.9968 0.8357 0.0651 0.0377 0.0460 460 ASP c CB ? ? 1 +37375 C CG A ASP W 442 0.6831 1.0017 0.8328 0.0689 0.0376 0.0479 460 ASP c CG ? ? 1 +37376 C CG B ASP W 442 0.6886 1.0071 0.8378 0.0692 0.0356 0.0472 460 ASP c CG ? ? 1 +37377 O OD1 A ASP W 442 0.6898 1.0043 0.8318 0.0711 0.0275 0.0462 460 ASP c OD1 ? ? 1 +37378 O OD1 B ASP W 442 0.7038 1.0137 0.8383 0.0725 0.0318 0.0443 460 ASP c OD1 ? ? 1 +37379 O OD2 A ASP W 442 0.6973 1.0075 0.8357 0.0698 0.0471 0.0507 460 ASP c OD2 ? ? 1 +37380 O OD2 B ASP W 442 0.6963 1.0106 0.8409 0.0693 0.0373 0.0509 460 ASP c OD2 ? ? 1 +37381 N N A ARG W 443 0.6491 0.9902 0.8304 0.0654 0.0114 0.0437 461 ARG c N ? ? 1 +37382 N N B ARG W 443 0.6507 0.9921 0.8324 0.0653 0.0111 0.0436 461 ARG c N ? ? 1 +37383 C CA A ARG W 443 0.6455 0.9893 0.8309 0.0652 0.0047 0.0451 461 ARG c CA ? ? 1 +37384 C CA B ARG W 443 0.6467 0.9905 0.8321 0.0652 0.0046 0.0452 461 ARG c CA ? ? 1 +37385 C C A ARG W 443 0.6593 0.9949 0.8347 0.0662 0.0104 0.0499 461 ARG c C ? ? 1 +37386 C C B ARG W 443 0.6596 0.9953 0.8353 0.0661 0.0107 0.0501 461 ARG c C ? ? 1 +37387 O O A ARG W 443 0.6493 0.9905 0.8349 0.0643 0.0099 0.0523 461 ARG c O ? ? 1 +37388 O O B ARG W 443 0.6495 0.9910 0.8358 0.0640 0.0108 0.0526 461 ARG c O ? ? 1 +37389 C CB A ARG W 443 0.6531 0.9924 0.8288 0.0683 -0.0072 0.0419 461 ARG c CB ? ? 1 +37390 C CB B ARG W 443 0.6545 0.9936 0.8299 0.0684 -0.0073 0.0421 461 ARG c CB ? ? 1 +37391 C CG A ARG W 443 0.6402 0.9886 0.8277 0.0667 -0.0143 0.0372 461 ARG c CG ? ? 1 +37392 C CG B ARG W 443 0.6414 0.9896 0.8285 0.0668 -0.0146 0.0373 461 ARG c CG ? ? 1 +37393 C CD A ARG W 443 0.6466 0.9919 0.8265 0.0693 -0.0263 0.0341 461 ARG c CD ? ? 1 +37394 C CD B ARG W 443 0.6478 0.9929 0.8274 0.0694 -0.0266 0.0342 461 ARG c CD ? ? 1 +37395 N NE A ARG W 443 0.6332 0.9880 0.8259 0.0670 -0.0331 0.0295 461 ARG c NE ? ? 1 +37396 N NE B ARG W 443 0.6343 0.9889 0.8267 0.0671 -0.0333 0.0296 461 ARG c NE ? ? 1 +37397 C CZ A ARG W 443 0.6155 0.9817 0.8248 0.0645 -0.0395 0.0284 461 ARG c CZ ? ? 1 +37398 C CZ B ARG W 443 0.6159 0.9822 0.8252 0.0645 -0.0397 0.0284 461 ARG c CZ ? ? 1 +37399 N NH1 A ARG W 443 0.6079 0.9783 0.8239 0.0640 -0.0403 0.0314 461 ARG c NH1 ? ? 1 +37400 N NH1 B ARG W 443 0.6081 0.9787 0.8244 0.0640 -0.0406 0.0314 461 ARG c NH1 ? ? 1 +37401 N NH2 A ARG W 443 0.6055 0.9791 0.8250 0.0623 -0.0450 0.0242 461 ARG c NH2 ? ? 1 +37402 N NH2 B ARG W 443 0.6060 0.9795 0.8254 0.0624 -0.0450 0.0242 461 ARG c NH2 ? ? 1 +37403 N N . GLU W 444 0.6841 1.0059 0.8394 0.0692 0.0161 0.0513 462 GLU c N ? ? 1 +37404 C CA A GLU W 444 0.7016 1.0136 0.8449 0.0704 0.0216 0.0559 462 GLU c CA ? ? 1 +37405 C CA B GLU W 444 0.7018 1.0132 0.8442 0.0705 0.0219 0.0559 462 GLU c CA ? ? 1 +37406 C C . GLU W 444 0.6941 1.0104 0.8471 0.0667 0.0337 0.0592 462 GLU c C ? ? 1 +37407 O O . GLU W 444 0.7009 1.0102 0.8466 0.0667 0.0391 0.0632 462 GLU c O ? ? 1 +37408 C CB A GLU W 444 0.7334 1.0277 0.8496 0.0753 0.0227 0.0563 462 GLU c CB ? ? 1 +37409 C CB B GLU W 444 0.7312 1.0256 0.8476 0.0750 0.0245 0.0560 462 GLU c CB ? ? 1 +37410 C CG A GLU W 444 0.7485 1.0342 0.8505 0.0795 0.0122 0.0560 462 GLU c CG ? ? 1 +37411 C CG B GLU W 444 0.7447 1.0322 0.8474 0.0793 0.0132 0.0528 462 GLU c CG ? ? 1 +37412 C CD A GLU W 444 0.7400 1.0347 0.8520 0.0797 -0.0004 0.0517 462 GLU c CD ? ? 1 +37413 C CD B GLU W 444 0.7743 1.0432 0.8491 0.0843 0.0148 0.0540 462 GLU c CD ? ? 1 +37414 O OE1 A GLU W 444 0.7449 1.0404 0.8554 0.0804 -0.0039 0.0476 462 GLU c OE1 ? ? 1 +37415 O OE1 B GLU W 444 0.7876 1.0478 0.8517 0.0860 0.0160 0.0577 462 GLU c OE1 ? ? 1 +37416 O OE2 A GLU W 444 0.7314 1.0325 0.8531 0.0790 -0.0066 0.0523 462 GLU c OE2 ? ? 1 +37417 O OE2 B GLU W 444 0.7861 1.0486 0.8493 0.0865 0.0151 0.0513 462 GLU c OE2 ? ? 1 +37418 N N . SER W 445 0.6813 1.0090 0.8508 0.0635 0.0377 0.0575 463 SER c N ? ? 1 +37419 C CA . SER W 445 0.6743 1.0073 0.8540 0.0600 0.0490 0.0600 463 SER c CA ? ? 1 +37420 C CB . SER W 445 0.6916 1.0162 0.8584 0.0615 0.0583 0.0601 463 SER c CB ? ? 1 +37421 O OG . SER W 445 0.6942 1.0220 0.8683 0.0584 0.0696 0.0630 463 SER c OG ? ? 1 +37422 C C . SER W 445 0.6486 0.9988 0.8536 0.0558 0.0487 0.0583 463 SER c C ? ? 1 +37423 O O . SER W 445 0.6497 1.0054 0.8627 0.0541 0.0561 0.0578 463 SER c O ? ? 1 +37424 N N A GLU W 446 0.6326 0.9911 0.8497 0.0546 0.0399 0.0574 464 GLU c N ? ? 1 +37425 N N B GLU W 446 0.6321 0.9907 0.8494 0.0545 0.0400 0.0574 464 GLU c N ? ? 1 +37426 C CA A GLU W 446 0.6077 0.9819 0.8479 0.0509 0.0385 0.0558 464 GLU c CA ? ? 1 +37427 C CA B GLU W 446 0.6068 0.9811 0.8471 0.0509 0.0384 0.0557 464 GLU c CA ? ? 1 +37428 C C A GLU W 446 0.5970 0.9784 0.8505 0.0470 0.0473 0.0587 464 GLU c C ? ? 1 +37429 C C B GLU W 446 0.5963 0.9780 0.8502 0.0470 0.0471 0.0587 464 GLU c C ? ? 1 +37430 O O A GLU W 446 0.5976 0.9783 0.8525 0.0458 0.0477 0.0617 464 GLU c O ? ? 1 +37431 O O B GLU W 446 0.5969 0.9783 0.8528 0.0457 0.0471 0.0615 464 GLU c O ? ? 1 +37432 C CB A GLU W 446 0.5959 0.9762 0.8443 0.0505 0.0273 0.0543 464 GLU c CB ? ? 1 +37433 C CB B GLU W 446 0.5947 0.9748 0.8429 0.0506 0.0271 0.0542 464 GLU c CB ? ? 1 +37434 C CG A GLU W 446 0.5722 0.9680 0.8438 0.0467 0.0255 0.0528 464 GLU c CG ? ? 1 +37435 C CG B GLU W 446 0.5704 0.9661 0.8417 0.0468 0.0248 0.0526 464 GLU c CG ? ? 1 +37436 C CD A GLU W 446 0.5622 0.9641 0.8414 0.0466 0.0143 0.0505 464 GLU c CD ? ? 1 +37437 C CD B GLU W 446 0.5605 0.9619 0.8392 0.0467 0.0138 0.0507 464 GLU c CD ? ? 1 +37438 O OE1 A GLU W 446 0.5738 0.9683 0.8410 0.0495 0.0075 0.0501 464 GLU c OE1 ? ? 1 +37439 O OE1 B GLU W 446 0.5727 0.9665 0.8392 0.0496 0.0074 0.0506 464 GLU c OE1 ? ? 1 +37440 O OE2 A GLU W 446 0.5435 0.9575 0.8408 0.0436 0.0124 0.0490 464 GLU c OE2 ? ? 1 +37441 O OE2 B GLU W 446 0.5408 0.9544 0.8376 0.0437 0.0116 0.0493 464 GLU c OE2 ? ? 1 +37442 N N . PRO W 447 0.5873 0.9759 0.8511 0.0450 0.0545 0.0580 465 PRO c N ? ? 1 +37443 C CA . PRO W 447 0.5783 0.9736 0.8542 0.0414 0.0633 0.0606 465 PRO c CA ? ? 1 +37444 C CB . PRO W 447 0.5685 0.9729 0.8562 0.0403 0.0678 0.0581 465 PRO c CB ? ? 1 +37445 C CG . PRO W 447 0.5801 0.9771 0.8546 0.0440 0.0651 0.0553 465 PRO c CG ? ? 1 +37446 C CD . PRO W 447 0.5862 0.9769 0.8507 0.0462 0.0544 0.0544 465 PRO c CD ? ? 1 +37447 C C . PRO W 447 0.5605 0.9645 0.8515 0.0381 0.0602 0.0621 465 PRO c C ? ? 1 +37448 O O . PRO W 447 0.5626 0.9650 0.8541 0.0362 0.0656 0.0654 465 PRO c O ? ? 1 +37449 N N A VAL W 448 0.5449 0.9576 0.8477 0.0375 0.0515 0.0598 466 VAL c N ? ? 1 +37450 N N B VAL W 448 0.5442 0.9571 0.8472 0.0374 0.0515 0.0598 466 VAL c N ? ? 1 +37451 C CA A VAL W 448 0.5286 0.9508 0.8472 0.0344 0.0484 0.0609 466 VAL c CA ? ? 1 +37452 C CA B VAL W 448 0.5276 0.9501 0.8465 0.0343 0.0484 0.0608 466 VAL c CA ? ? 1 +37453 C C A VAL W 448 0.5364 0.9513 0.8466 0.0350 0.0459 0.0638 466 VAL c C ? ? 1 +37454 C C B VAL W 448 0.5353 0.9506 0.8460 0.0349 0.0460 0.0637 466 VAL c C ? ? 1 +37455 O O A VAL W 448 0.5279 0.9481 0.8484 0.0322 0.0472 0.0658 466 VAL c O ? ? 1 +37456 O O B VAL W 448 0.5271 0.9477 0.8482 0.0321 0.0473 0.0657 466 VAL c O ? ? 1 +37457 C CB A VAL W 448 0.5129 0.9449 0.8441 0.0338 0.0396 0.0576 466 VAL c CB ? ? 1 +37458 C CB B VAL W 448 0.5118 0.9441 0.8433 0.0338 0.0395 0.0574 466 VAL c CB ? ? 1 +37459 C CG1 A VAL W 448 0.4993 0.9386 0.8429 0.0315 0.0346 0.0586 466 VAL c CG1 ? ? 1 +37460 C CG1 B VAL W 448 0.4984 0.9377 0.8418 0.0316 0.0341 0.0584 466 VAL c CG1 ? ? 1 +37461 C CG2 A VAL W 448 0.5022 0.9435 0.8459 0.0322 0.0432 0.0554 466 VAL c CG2 ? ? 1 +37462 C CG2 B VAL W 448 0.5010 0.9428 0.8454 0.0321 0.0431 0.0553 466 VAL c CG2 ? ? 1 +37463 N N A LEU W 449 0.5532 0.9557 0.8443 0.0389 0.0423 0.0639 467 LEU c N ? ? 1 +37464 N N B LEU W 449 0.5518 0.9547 0.8434 0.0388 0.0425 0.0639 467 LEU c N ? ? 1 +37465 C CA A LEU W 449 0.5639 0.9579 0.8447 0.0403 0.0397 0.0667 467 LEU c CA ? ? 1 +37466 C CA B LEU W 449 0.5621 0.9568 0.8440 0.0402 0.0398 0.0666 467 LEU c CA ? ? 1 +37467 C C A LEU W 449 0.5765 0.9635 0.8510 0.0390 0.0496 0.0707 467 LEU c C ? ? 1 +37468 C C B LEU W 449 0.5734 0.9623 0.8507 0.0385 0.0498 0.0706 467 LEU c C ? ? 1 +37469 O O A LEU W 449 0.5816 0.9634 0.8516 0.0392 0.0487 0.0734 467 LEU c O ? ? 1 +37470 O O B LEU W 449 0.5748 0.9614 0.8520 0.0378 0.0490 0.0732 467 LEU c O ? ? 1 +37471 C CB A LEU W 449 0.5806 0.9627 0.8417 0.0453 0.0333 0.0656 467 LEU c CB ? ? 1 +37472 C CB B LEU W 449 0.5795 0.9618 0.8411 0.0451 0.0336 0.0656 467 LEU c CB ? ? 1 +37473 C CG A LEU W 449 0.5722 0.9599 0.8380 0.0466 0.0222 0.0616 467 LEU c CG ? ? 1 +37474 C CG B LEU W 449 0.5717 0.9593 0.8374 0.0466 0.0224 0.0617 467 LEU c CG ? ? 1 +37475 C CD1 A LEU W 449 0.5900 0.9658 0.8362 0.0515 0.0156 0.0606 467 LEU c CD1 ? ? 1 +37476 C CD1 B LEU W 449 0.5902 0.9656 0.8358 0.0515 0.0165 0.0606 467 LEU c CD1 ? ? 1 +37477 C CD2 A LEU W 449 0.5544 0.9527 0.8367 0.0444 0.0163 0.0615 467 LEU c CD2 ? ? 1 +37478 C CD2 B LEU W 449 0.5556 0.9524 0.8357 0.0449 0.0157 0.0617 467 LEU c CD2 ? ? 1 +37479 N N . SER W 450 0.5827 0.9695 0.8568 0.0378 0.0591 0.0710 468 SER c N ? ? 1 +37480 C CA . SER W 450 0.5918 0.9738 0.8626 0.0356 0.0697 0.0745 468 SER c CA ? ? 1 +37481 C CB . SER W 450 0.6102 0.9855 0.8698 0.0368 0.0781 0.0744 468 SER c CB ? ? 1 +37482 O OG . SER W 450 0.6346 0.9962 0.8726 0.0416 0.0745 0.0741 468 SER c OG ? ? 1 +37483 C C . SER W 450 0.5745 0.9693 0.8661 0.0305 0.0746 0.0753 468 SER c C ? ? 1 +37484 O O . SER W 450 0.5850 0.9770 0.8759 0.0281 0.0829 0.0781 468 SER c O ? ? 1 +37485 N N . MET W 451 0.5553 0.9639 0.8651 0.0289 0.0696 0.0727 469 MET c N ? ? 1 +37486 C CA . MET W 451 0.5388 0.9602 0.8688 0.0243 0.0737 0.0728 469 MET c CA ? ? 1 +37487 C CB . MET W 451 0.5194 0.9533 0.8641 0.0238 0.0707 0.0693 469 MET c CB ? ? 1 +37488 C CG . MET W 451 0.5230 0.9550 0.8621 0.0255 0.0757 0.0676 469 MET c CG ? ? 1 +37489 S SD . MET W 451 0.5023 0.9482 0.8584 0.0250 0.0717 0.0635 469 MET c SD ? ? 1 +37490 C CE . MET W 451 0.5155 0.9538 0.8576 0.0286 0.0754 0.0615 469 MET c CE ? ? 1 +37491 C C . MET W 451 0.5345 0.9594 0.8727 0.0223 0.0693 0.0744 469 MET c C ? ? 1 +37492 O O . MET W 451 0.5372 0.9602 0.8722 0.0244 0.0603 0.0738 469 MET c O ? ? 1 +37493 N N . PRO W 452 0.5343 0.9647 0.8839 0.0181 0.0752 0.0763 470 PRO c N ? ? 1 +37494 C CA . PRO W 452 0.5284 0.9621 0.8862 0.0162 0.0711 0.0776 470 PRO c CA ? ? 1 +37495 C CB . PRO W 452 0.5247 0.9634 0.8930 0.0114 0.0803 0.0794 470 PRO c CB ? ? 1 +37496 C CG . PRO W 452 0.5218 0.9664 0.8955 0.0106 0.0868 0.0776 470 PRO c CG ? ? 1 +37497 C CD . PRO W 452 0.5365 0.9711 0.8926 0.0151 0.0858 0.0768 470 PRO c CD ? ? 1 +37498 C C . PRO W 452 0.5118 0.9572 0.8840 0.0161 0.0621 0.0748 470 PRO c C ? ? 1 +37499 O O . PRO W 452 0.5079 0.9610 0.8877 0.0162 0.0611 0.0720 470 PRO c O ? ? 1 +37500 N N . SER W 453 0.5064 0.9527 0.8818 0.0160 0.0557 0.0755 471 SER c N ? ? 1 +37501 C CA A SER W 453 0.4894 0.9468 0.8790 0.0155 0.0478 0.0729 471 SER c CA ? ? 1 +37502 C CA B SER W 453 0.4907 0.9481 0.8802 0.0155 0.0478 0.0729 471 SER c CA ? ? 1 +37503 C C . SER W 453 0.4737 0.9440 0.8828 0.0112 0.0517 0.0724 471 SER c C ? ? 1 +37504 O O . SER W 453 0.4706 0.9411 0.8830 0.0083 0.0588 0.0744 471 SER c O ? ? 1 +37505 C CB A SER W 453 0.4888 0.9437 0.8764 0.0168 0.0402 0.0738 471 SER c CB ? ? 1 +37506 C CB B SER W 453 0.4915 0.9465 0.8793 0.0168 0.0402 0.0737 471 SER c CB ? ? 1 +37507 O OG A SER W 453 0.4996 0.9452 0.8716 0.0213 0.0343 0.0732 471 SER c OG ? ? 1 +37508 O OG B SER W 453 0.4860 0.9444 0.8830 0.0136 0.0427 0.0758 471 SER c OG ? ? 1 +37509 N N . LEU W 454 0.4652 0.9461 0.8869 0.0108 0.0469 0.0696 472 LEU c N ? ? 1 +37510 C CA . LEU W 454 0.4572 0.9507 0.8974 0.0072 0.0493 0.0687 472 LEU c CA ? ? 1 +37511 C CB . LEU W 454 0.4386 0.9406 0.8876 0.0078 0.0440 0.0653 472 LEU c CB ? ? 1 +37512 C CG . LEU W 454 0.4420 0.9421 0.8851 0.0099 0.0462 0.0635 472 LEU c CG ? ? 1 +37513 C CD1 . LEU W 454 0.4290 0.9374 0.8817 0.0102 0.0409 0.0603 472 LEU c CD1 ? ? 1 +37514 C CD2 . LEU W 454 0.4457 0.9473 0.8910 0.0084 0.0560 0.0642 472 LEU c CD2 ? ? 1 +37515 C C . LEU W 454 0.4655 0.9638 0.9158 0.0045 0.0474 0.0700 472 LEU c C ? ? 1 +37516 O O . LEU W 454 0.4679 0.9750 0.9322 0.0012 0.0506 0.0699 472 LEU c O ? ? 1 +37517 N N . ASP W 455 0.4855 0.9781 0.9291 0.0062 0.0416 0.0709 473 ASP c N ? ? 1 +37518 C CA . ASP W 455 0.4890 0.9855 0.9413 0.0042 0.0389 0.0720 473 ASP c CA ? ? 1 +37519 C CB . ASP W 455 0.4727 0.9814 0.9406 0.0031 0.0333 0.0694 473 ASP c CB ? ? 1 +37520 C CG . ASP W 455 0.4748 0.9842 0.9399 0.0060 0.0259 0.0668 473 ASP c CG ? ? 1 +37521 O OD1 . ASP W 455 0.4902 0.9906 0.9408 0.0092 0.0244 0.0668 473 ASP c OD1 ? ? 1 +37522 O OD2 . ASP W 455 0.4650 0.9836 0.9420 0.0050 0.0217 0.0646 473 ASP c OD2 ? ? 1 +37523 C C . ASP W 455 0.5144 1.0011 0.9544 0.0070 0.0341 0.0735 473 ASP c C ? ? 1 +37524 O O . ASP W 455 0.5219 1.0091 0.9660 0.0058 0.0325 0.0749 473 ASP c O ? ? 1 +37525 O OXT . ASP W 455 0.5332 1.0114 0.9590 0.0106 0.0317 0.0734 473 ASP c OXT ? ? 1 +37526 N N . ARG X 1 0.8694 1.6526 1.5427 -0.0333 -0.3486 -0.1837 12 ARG d N ? ? 1 +37527 C CA . ARG X 1 0.8678 1.6407 1.5330 -0.0403 -0.3486 -0.1878 12 ARG d CA ? ? 1 +37528 C CB . ARG X 1 0.9140 1.6855 1.5688 -0.0360 -0.3620 -0.1945 12 ARG d CB ? ? 1 +37529 C CG . ARG X 1 0.9492 1.7095 1.5939 -0.0425 -0.3634 -0.1994 12 ARG d CG ? ? 1 +37530 C CD . ARG X 1 0.9812 1.7569 1.6451 -0.0508 -0.3704 -0.2095 12 ARG d CD ? ? 1 +37531 N NE . ARG X 1 1.0150 1.7798 1.6707 -0.0582 -0.3705 -0.2141 12 ARG d NE ? ? 1 +37532 C CZ . ARG X 1 1.0507 1.8200 1.7083 -0.0610 -0.3809 -0.2231 12 ARG d CZ ? ? 1 +37533 N NH1 . ARG X 1 1.0480 1.8278 1.7079 -0.0545 -0.3933 -0.2279 12 ARG d NH1 ? ? 1 +37534 N NH2 . ARG X 1 1.0742 1.8372 1.7311 -0.0704 -0.3789 -0.2276 12 ARG d NH2 ? ? 1 +37535 C C . ARG X 1 0.8126 1.5959 1.4986 -0.0527 -0.3442 -0.1926 12 ARG d C ? ? 1 +37536 O O . ARG X 1 0.8108 1.5962 1.5001 -0.0588 -0.3495 -0.2001 12 ARG d O ? ? 1 +37537 N N . GLY X 2 0.7484 1.5375 1.4478 -0.0566 -0.3342 -0.1882 13 GLY d N ? ? 1 +37538 C CA . GLY X 2 0.7079 1.5034 1.4241 -0.0684 -0.3279 -0.1914 13 GLY d CA ? ? 1 +37539 C C . GLY X 2 0.6791 1.4557 1.3811 -0.0738 -0.3194 -0.1884 13 GLY d C ? ? 1 +37540 O O . GLY X 2 0.6692 1.4292 1.3506 -0.0680 -0.3163 -0.1824 13 GLY d O ? ? 1 +37541 N N . TRP X 3 0.6485 1.4276 1.3617 -0.0849 -0.3153 -0.1925 14 TRP d N ? ? 1 +37542 C CA . TRP X 3 0.6320 1.3937 1.3330 -0.0905 -0.3073 -0.1903 14 TRP d CA ? ? 1 +37543 C CB . TRP X 3 0.6202 1.3883 1.3377 -0.1031 -0.3035 -0.1956 14 TRP d CB ? ? 1 +37544 C CG . TRP X 3 0.5960 1.3765 1.3335 -0.1075 -0.2957 -0.1931 14 TRP d CG ? ? 1 +37545 C CD1 . TRP X 3 0.5857 1.3872 1.3459 -0.1100 -0.2991 -0.1976 14 TRP d CD1 ? ? 1 +37546 N NE1 . TRP X 3 0.5698 1.3768 1.3428 -0.1138 -0.2892 -0.1935 14 TRP d NE1 ? ? 1 +37547 C CE2 . TRP X 3 0.5605 1.3502 1.3192 -0.1139 -0.2794 -0.1863 14 TRP d CE2 ? ? 1 +37548 C CZ2 . TRP X 3 0.5480 1.3353 1.3113 -0.1170 -0.2678 -0.1802 14 TRP d CZ2 ? ? 1 +37549 C CH2 . TRP X 3 0.5532 1.3217 1.2990 -0.1159 -0.2601 -0.1738 14 TRP d CH2 ? ? 1 +37550 C CZ3 . TRP X 3 0.5679 1.3201 1.2923 -0.1120 -0.2634 -0.1733 14 TRP d CZ3 ? ? 1 +37551 C CE3 . TRP X 3 0.5816 1.3357 1.3009 -0.1092 -0.2746 -0.1793 14 TRP d CE3 ? ? 1 +37552 C CD2 . TRP X 3 0.5768 1.3499 1.3135 -0.1100 -0.2831 -0.1859 14 TRP d CD2 ? ? 1 +37553 C C . TRP X 3 0.6201 1.3700 1.3110 -0.0870 -0.2963 -0.1803 14 TRP d C ? ? 1 +37554 O O . TRP X 3 0.6370 1.3690 1.3100 -0.0866 -0.2916 -0.1768 14 TRP d O ? ? 1 +37555 N N . PHE X 4 0.5903 1.3507 1.2932 -0.0845 -0.2922 -0.1760 15 PHE d N ? ? 1 +37556 C CA . PHE X 4 0.5669 1.3181 1.2624 -0.0812 -0.2820 -0.1667 15 PHE d CA ? ? 1 +37557 C CB . PHE X 4 0.5500 1.3161 1.2630 -0.0799 -0.2785 -0.1637 15 PHE d CB ? ? 1 +37558 C CG . PHE X 4 0.5419 1.2988 1.2477 -0.0768 -0.2681 -0.1544 15 PHE d CG ? ? 1 +37559 C CD1 . PHE X 4 0.5416 1.2921 1.2339 -0.0668 -0.2688 -0.1485 15 PHE d CD1 ? ? 1 +37560 C CD2 . PHE X 4 0.5344 1.2881 1.2459 -0.0840 -0.2575 -0.1516 15 PHE d CD2 ? ? 1 +37561 C CE1 . PHE X 4 0.5378 1.2799 1.2237 -0.0643 -0.2594 -0.1403 15 PHE d CE1 ? ? 1 +37562 C CE2 . PHE X 4 0.5285 1.2738 1.2332 -0.0811 -0.2484 -0.1433 15 PHE d CE2 ? ? 1 +37563 C CZ . PHE X 4 0.5308 1.2705 1.2230 -0.0714 -0.2494 -0.1378 15 PHE d CZ ? ? 1 +37564 C C . PHE X 4 0.5643 1.3012 1.2368 -0.0711 -0.2838 -0.1615 15 PHE d C ? ? 1 +37565 O O . PHE X 4 0.5632 1.2847 1.2214 -0.0703 -0.2763 -0.1559 15 PHE d O ? ? 1 +37566 N N . ASP X 5 0.5622 1.3044 1.2314 -0.0634 -0.2936 -0.1635 16 ASP d N ? ? 1 +37567 C CA . ASP X 5 0.5653 1.2945 1.2128 -0.0535 -0.2958 -0.1589 16 ASP d CA ? ? 1 +37568 C CB . ASP X 5 0.5703 1.3099 1.2200 -0.0453 -0.3063 -0.1610 16 ASP d CB ? ? 1 +37569 C CG . ASP X 5 0.5546 1.3096 1.2221 -0.0437 -0.3041 -0.1587 16 ASP d CG ? ? 1 +37570 O OD1 . ASP X 5 0.5400 1.2899 1.2045 -0.0413 -0.2954 -0.1510 16 ASP d OD1 ? ? 1 +37571 O OD2 . ASP X 5 0.5534 1.3257 1.2384 -0.0451 -0.3110 -0.1646 16 ASP d OD2 ? ? 1 +37572 C C . ASP X 5 0.5749 1.2873 1.2026 -0.0540 -0.2977 -0.1607 16 ASP d C ? ? 1 +37573 O O . ASP X 5 0.5786 1.2752 1.1873 -0.0492 -0.2934 -0.1550 16 ASP d O ? ? 1 +37574 N N . ILE X 6 0.5795 1.2956 1.2119 -0.0599 -0.3041 -0.1689 17 ILE d N ? ? 1 +37575 C CA . ILE X 6 0.5900 1.2907 1.2054 -0.0617 -0.3058 -0.1716 17 ILE d CA ? ? 1 +37576 C CB . ILE X 6 0.6005 1.3091 1.2254 -0.0688 -0.3141 -0.1817 17 ILE d CB ? ? 1 +37577 C CG1 . ILE X 6 0.6093 1.3324 1.2414 -0.0637 -0.3267 -0.1871 17 ILE d CG1 ? ? 1 +37578 C CG2 . ILE X 6 0.6177 1.3094 1.2246 -0.0712 -0.3153 -0.1845 17 ILE d CG2 ? ? 1 +37579 C CD1 . ILE X 6 0.6225 1.3362 1.2337 -0.0520 -0.3332 -0.1844 17 ILE d CD1 ? ? 1 +37580 C C . ILE X 6 0.5784 1.2653 1.1869 -0.0665 -0.2939 -0.1667 17 ILE d C ? ? 1 +37581 O O . ILE X 6 0.5870 1.2569 1.1753 -0.0636 -0.2918 -0.1640 17 ILE d O ? ? 1 +37582 N N . LEU X 7 0.5583 1.2526 1.1835 -0.0739 -0.2863 -0.1658 18 LEU d N ? ? 1 +37583 C CA . LEU X 7 0.5528 1.2349 1.1730 -0.0787 -0.2752 -0.1614 18 LEU d CA ? ? 1 +37584 C CB . LEU X 7 0.5424 1.2353 1.1837 -0.0880 -0.2691 -0.1626 18 LEU d CB ? ? 1 +37585 C CG . LEU X 7 0.5402 1.2215 1.1778 -0.0929 -0.2572 -0.1578 18 LEU d CG ? ? 1 +37586 C CD1 . LEU X 7 0.5547 1.2188 1.1754 -0.0952 -0.2565 -0.1595 18 LEU d CD1 ? ? 1 +37587 C CD2 . LEU X 7 0.5337 1.2258 1.1918 -0.1023 -0.2522 -0.1599 18 LEU d CD2 ? ? 1 +37588 C C . LEU X 7 0.5421 1.2142 1.1493 -0.0712 -0.2683 -0.1522 18 LEU d C ? ? 1 +37589 O O . LEU X 7 0.5496 1.2058 1.1416 -0.0708 -0.2624 -0.1486 18 LEU d O ? ? 1 +37590 N N . ASP X 8 0.5259 1.2074 1.1392 -0.0652 -0.2691 -0.1485 19 ASP d N ? ? 1 +37591 C CA . ASP X 8 0.5162 1.1893 1.1181 -0.0579 -0.2632 -0.1401 19 ASP d CA ? ? 1 +37592 C CB . ASP X 8 0.5053 1.1916 1.1177 -0.0524 -0.2652 -0.1375 19 ASP d CB ? ? 1 +37593 C CG . ASP X 8 0.4971 1.1762 1.1009 -0.0462 -0.2578 -0.1286 19 ASP d CG ? ? 1 +37594 O OD1 . ASP X 8 0.4872 1.1659 1.0973 -0.0499 -0.2485 -0.1243 19 ASP d OD1 ? ? 1 +37595 O OD2 . ASP X 8 0.5054 1.1789 1.0957 -0.0378 -0.2614 -0.1259 19 ASP d OD2 ? ? 1 +37596 C C . ASP X 8 0.5274 1.1847 1.1053 -0.0510 -0.2662 -0.1386 19 ASP d C ? ? 1 +37597 O O . ASP X 8 0.5225 1.1663 1.0867 -0.0486 -0.2589 -0.1327 19 ASP d O ? ? 1 +37598 N N . ASP X 9 0.5396 1.1989 1.1125 -0.0480 -0.2770 -0.1442 20 ASP d N ? ? 1 +37599 C CA . ASP X 9 0.5555 1.1999 1.1054 -0.0419 -0.2808 -0.1438 20 ASP d CA ? ? 1 +37600 C CB . ASP X 9 0.5719 1.2211 1.1196 -0.0396 -0.2938 -0.1512 20 ASP d CB ? ? 1 +37601 C CG . ASP X 9 0.5749 1.2339 1.1254 -0.0316 -0.3011 -0.1507 20 ASP d CG ? ? 1 +37602 O OD1 . ASP X 9 0.5635 1.2241 1.1155 -0.0272 -0.2961 -0.1441 20 ASP d OD1 ? ? 1 +37603 O OD2 . ASP X 9 0.5922 1.2574 1.1434 -0.0298 -0.3123 -0.1571 20 ASP d OD2 ? ? 1 +37604 C C . ASP X 9 0.5577 1.1863 1.0952 -0.0462 -0.2749 -0.1436 20 ASP d C ? ? 1 +37605 O O . ASP X 9 0.5625 1.1768 1.0828 -0.0417 -0.2697 -0.1381 20 ASP d O ? ? 1 +37606 N N . TRP X 10 0.5531 1.1844 1.0995 -0.0550 -0.2758 -0.1496 21 TRP d N ? ? 1 +37607 C CA . TRP X 10 0.5607 1.1772 1.0959 -0.0595 -0.2708 -0.1501 21 TRP d CA ? ? 1 +37608 C CB . TRP X 10 0.5585 1.1803 1.1063 -0.0697 -0.2728 -0.1576 21 TRP d CB ? ? 1 +37609 C CG . TRP X 10 0.5702 1.1753 1.1034 -0.0732 -0.2700 -0.1592 21 TRP d CG ? ? 1 +37610 C CD1 . TRP X 10 0.5884 1.1836 1.1059 -0.0714 -0.2767 -0.1637 21 TRP d CD1 ? ? 1 +37611 N NE1 . TRP X 10 0.5953 1.1752 1.1017 -0.0751 -0.2710 -0.1636 21 TRP d NE1 ? ? 1 +37612 C CE2 . TRP X 10 0.5820 1.1617 1.0966 -0.0792 -0.2605 -0.1588 21 TRP d CE2 ? ? 1 +37613 C CZ2 . TRP X 10 0.5830 1.1498 1.0912 -0.0834 -0.2518 -0.1568 21 TRP d CZ2 ? ? 1 +37614 C CH2 . TRP X 10 0.5674 1.1373 1.0863 -0.0866 -0.2424 -0.1519 21 TRP d CH2 ? ? 1 +37615 C CZ3 . TRP X 10 0.5524 1.1373 1.0875 -0.0858 -0.2412 -0.1489 21 TRP d CZ3 ? ? 1 +37616 C CE3 . TRP X 10 0.5526 1.1504 1.0942 -0.0816 -0.2496 -0.1509 21 TRP d CE3 ? ? 1 +37617 C CD2 . TRP X 10 0.5665 1.1617 1.0977 -0.0782 -0.2596 -0.1560 21 TRP d CD2 ? ? 1 +37618 C C . TRP X 10 0.5542 1.1619 1.0856 -0.0596 -0.2585 -0.1423 21 TRP d C ? ? 1 +37619 O O . TRP X 10 0.5550 1.1471 1.0686 -0.0567 -0.2544 -0.1392 21 TRP d O ? ? 1 +37620 N N . LEU X 11 0.5424 1.1607 1.0908 -0.0627 -0.2527 -0.1394 22 LEU d N ? ? 1 +37621 C CA . LEU X 11 0.5395 1.1515 1.0874 -0.0640 -0.2412 -0.1327 22 LEU d CA ? ? 1 +37622 C CB . LEU X 11 0.5233 1.1501 1.0929 -0.0683 -0.2371 -0.1313 22 LEU d CB ? ? 1 +37623 C CG . LEU X 11 0.5229 1.1570 1.1083 -0.0784 -0.2368 -0.1369 22 LEU d CG ? ? 1 +37624 C CD1 . LEU X 11 0.5075 1.1566 1.1133 -0.0815 -0.2331 -0.1352 22 LEU d CD1 ? ? 1 +37625 C CD2 . LEU X 11 0.5272 1.1476 1.1052 -0.0840 -0.2296 -0.1364 22 LEU d CD2 ? ? 1 +37626 C C . LEU X 11 0.5447 1.1471 1.0774 -0.0554 -0.2370 -0.1252 22 LEU d C ? ? 1 +37627 O O . LEU X 11 0.5360 1.1279 1.0613 -0.0555 -0.2283 -0.1204 22 LEU d O ? ? 1 +37628 N N . LYS X 12 0.5574 1.1635 1.0857 -0.0479 -0.2431 -0.1243 23 LYS d N ? ? 1 +37629 C CA . LYS X 12 0.5656 1.1641 1.0808 -0.0397 -0.2396 -0.1173 23 LYS d CA ? ? 1 +37630 C CB . LYS X 12 0.5578 1.1689 1.0830 -0.0352 -0.2422 -0.1149 23 LYS d CB ? ? 1 +37631 C CG . LYS X 12 0.5440 1.1667 1.0887 -0.0398 -0.2362 -0.1127 23 LYS d CG ? ? 1 +37632 C CD . LYS X 12 0.5417 1.1773 1.0967 -0.0355 -0.2399 -0.1115 23 LYS d CD ? ? 1 +37633 C CE . LYS X 12 0.5299 1.1762 1.1032 -0.0396 -0.2335 -0.1088 23 LYS d CE ? ? 1 +37634 N NZ . LYS X 12 0.5290 1.1891 1.1136 -0.0356 -0.2381 -0.1087 23 LYS d NZ ? ? 1 +37635 C C . LYS X 12 0.5947 1.1800 1.0878 -0.0336 -0.2441 -0.1180 23 LYS d C ? ? 1 +37636 O O . LYS X 12 0.5932 1.1727 1.0747 -0.0261 -0.2430 -0.1130 23 LYS d O ? ? 1 +37637 N N . ARG X 13 0.6285 1.2083 1.1154 -0.0368 -0.2490 -0.1241 24 ARG d N ? ? 1 +37638 C CA . ARG X 13 0.6671 1.2326 1.1318 -0.0316 -0.2525 -0.1249 24 ARG d CA ? ? 1 +37639 C CB . ARG X 13 0.7073 1.2691 1.1687 -0.0364 -0.2586 -0.1327 24 ARG d CB ? ? 1 +37640 C CG . ARG X 13 0.7500 1.3024 1.1917 -0.0300 -0.2667 -0.1353 24 ARG d CG ? ? 1 +37641 C CD . ARG X 13 0.7765 1.3286 1.2174 -0.0344 -0.2751 -0.1440 24 ARG d CD ? ? 1 +37642 N NE . ARG X 13 0.7856 1.3555 1.2456 -0.0377 -0.2831 -0.1495 24 ARG d NE ? ? 1 +37643 C CZ . ARG X 13 0.8234 1.3973 1.2886 -0.0431 -0.2906 -0.1577 24 ARG d CZ ? ? 1 +37644 N NH1 . ARG X 13 0.8449 1.4060 1.2966 -0.0454 -0.2919 -0.1615 24 ARG d NH1 ? ? 1 +37645 N NH2 . ARG X 13 0.8215 1.4130 1.3063 -0.0465 -0.2968 -0.1623 24 ARG d NH2 ? ? 1 +37646 C C . ARG X 13 0.6671 1.2178 1.1172 -0.0287 -0.2426 -0.1183 24 ARG d C ? ? 1 +37647 O O . ARG X 13 0.6530 1.2018 1.1087 -0.0332 -0.2340 -0.1156 24 ARG d O ? ? 1 +37648 N N . ASP X 14 0.6794 1.2197 1.1106 -0.0210 -0.2441 -0.1158 25 ASP d N ? ? 1 +37649 C CA . ASP X 14 0.6727 1.1988 1.0885 -0.0175 -0.2354 -0.1098 25 ASP d CA ? ? 1 +37650 C CB . ASP X 14 0.6878 1.2080 1.0880 -0.0082 -0.2376 -0.1061 25 ASP d CB ? ? 1 +37651 C CG . ASP X 14 0.6913 1.2025 1.0816 -0.0038 -0.2279 -0.0983 25 ASP d CG ? ? 1 +37652 O OD1 . ASP X 14 0.6823 1.1934 1.0798 -0.0076 -0.2190 -0.0950 25 ASP d OD1 ? ? 1 +37653 O OD2 . ASP X 14 0.7071 1.2119 1.0833 0.0033 -0.2292 -0.0954 25 ASP d OD2 ? ? 1 +37654 C C . ASP X 14 0.6764 1.1896 1.0803 -0.0205 -0.2345 -0.1134 25 ASP d C ? ? 1 +37655 O O . ASP X 14 0.7013 1.2062 1.0900 -0.0174 -0.2405 -0.1167 25 ASP d O ? ? 1 +37656 N N . ARG X 15 0.6576 1.1691 1.0684 -0.0267 -0.2273 -0.1129 26 ARG d N ? ? 1 +37657 C CA . ARG X 15 0.6604 1.1595 1.0609 -0.0300 -0.2255 -0.1160 26 ARG d CA ? ? 1 +37658 C CB . ARG X 15 0.6533 1.1593 1.0681 -0.0390 -0.2288 -0.1226 26 ARG d CB ? ? 1 +37659 C CG . ARG X 15 0.6313 1.1522 1.0687 -0.0441 -0.2258 -0.1213 26 ARG d CG ? ? 1 +37660 C CD . ARG X 15 0.6269 1.1528 1.0772 -0.0534 -0.2277 -0.1274 26 ARG d CD ? ? 1 +37661 N NE . ARG X 15 0.6336 1.1666 1.0873 -0.0547 -0.2388 -0.1347 26 ARG d NE ? ? 1 +37662 C CZ . ARG X 15 0.6216 1.1710 1.0935 -0.0577 -0.2439 -0.1377 26 ARG d CZ ? ? 1 +37663 N NH1 . ARG X 15 0.6050 1.1654 1.0918 -0.0582 -0.2395 -0.1335 26 ARG d NH1 ? ? 1 +37664 N NH2 . ARG X 15 0.6312 1.1862 1.1064 -0.0601 -0.2537 -0.1452 26 ARG d NH2 ? ? 1 +37665 C C . ARG X 15 0.6515 1.1413 1.0463 -0.0292 -0.2140 -0.1098 26 ARG d C ? ? 1 +37666 O O . ARG X 15 0.6307 1.1246 1.0304 -0.0265 -0.2084 -0.1037 26 ARG d O ? ? 1 +37667 N N . PHE X 16 0.6660 1.1432 1.0504 -0.0313 -0.2108 -0.1116 27 PHE d N ? ? 1 +37668 C CA . PHE X 16 0.6678 1.1353 1.0455 -0.0301 -0.2004 -0.1062 27 PHE d CA ? ? 1 +37669 C CB . PHE X 16 0.6963 1.1496 1.0614 -0.0324 -0.1990 -0.1098 27 PHE d CB ? ? 1 +37670 C CG . PHE X 16 0.7154 1.1578 1.0719 -0.0302 -0.1886 -0.1046 27 PHE d CG ? ? 1 +37671 C CD1 . PHE X 16 0.7309 1.1637 1.0706 -0.0229 -0.1855 -0.1007 27 PHE d CD1 ? ? 1 +37672 C CD2 . PHE X 16 0.7175 1.1595 1.0828 -0.0354 -0.1819 -0.1037 27 PHE d CD2 ? ? 1 +37673 C CE1 . PHE X 16 0.7348 1.1587 1.0678 -0.0210 -0.1759 -0.0963 27 PHE d CE1 ? ? 1 +37674 C CE2 . PHE X 16 0.7143 1.1470 1.0722 -0.0331 -0.1727 -0.0991 27 PHE d CE2 ? ? 1 +37675 C CZ . PHE X 16 0.7267 1.1507 1.0689 -0.0260 -0.1699 -0.0956 27 PHE d CZ ? ? 1 +37676 C C . PHE X 16 0.6369 1.1130 1.0321 -0.0345 -0.1933 -0.1026 27 PHE d C ? ? 1 +37677 O O . PHE X 16 0.6245 1.0989 1.0188 -0.0314 -0.1855 -0.0963 27 PHE d O ? ? 1 +37678 N N . VAL X 17 0.6196 1.1047 1.0304 -0.0417 -0.1959 -0.1068 28 VAL d N ? ? 1 +37679 C CA . VAL X 17 0.5883 1.0832 1.0170 -0.0461 -0.1905 -0.1040 28 VAL d CA ? ? 1 +37680 C CB . VAL X 17 0.5947 1.0860 1.0289 -0.0538 -0.1871 -0.1070 28 VAL d CB ? ? 1 +37681 C CG1 . VAL X 17 0.5785 1.0777 1.0286 -0.0575 -0.1801 -0.1030 28 VAL d CG1 ? ? 1 +37682 C CG2 . VAL X 17 0.6109 1.0851 1.0277 -0.0524 -0.1828 -0.1068 28 VAL d CG2 ? ? 1 +37683 C C . VAL X 17 0.5590 1.0703 1.0036 -0.0473 -0.1967 -0.1057 28 VAL d C ? ? 1 +37684 O O . VAL X 17 0.5641 1.0812 1.0155 -0.0518 -0.2037 -0.1119 28 VAL d O ? ? 1 +37685 N N . PHE X 18 0.5270 1.0455 0.9770 -0.0432 -0.1942 -0.1003 29 PHE d N ? ? 1 +37686 C CA . PHE X 18 0.5046 1.0389 0.9703 -0.0440 -0.1990 -0.1011 29 PHE d CA ? ? 1 +37687 C CB . PHE X 18 0.4921 1.0305 0.9587 -0.0379 -0.1956 -0.0945 29 PHE d CB ? ? 1 +37688 C CG . PHE X 18 0.4786 1.0330 0.9618 -0.0385 -0.1995 -0.0948 29 PHE d CG ? ? 1 +37689 C CD1 . PHE X 18 0.4846 1.0447 0.9668 -0.0346 -0.2085 -0.0975 29 PHE d CD1 ? ? 1 +37690 C CD2 . PHE X 18 0.4617 1.0254 0.9616 -0.0426 -0.1944 -0.0926 29 PHE d CD2 ? ? 1 +37691 C CE1 . PHE X 18 0.4745 1.0496 0.9723 -0.0348 -0.2121 -0.0980 29 PHE d CE1 ? ? 1 +37692 C CE2 . PHE X 18 0.4513 1.0297 0.9664 -0.0429 -0.1978 -0.0930 29 PHE d CE2 ? ? 1 +37693 C CZ . PHE X 18 0.4578 1.0421 0.9722 -0.0391 -0.2066 -0.0958 29 PHE d CZ ? ? 1 +37694 C C . PHE X 18 0.4858 1.0289 0.9698 -0.0522 -0.1965 -0.1031 29 PHE d C ? ? 1 +37695 O O . PHE X 18 0.4753 1.0147 0.9618 -0.0548 -0.1883 -0.0998 29 PHE d O ? ? 1 +37696 N N . VAL X 19 0.4778 1.0326 0.9745 -0.0561 -0.2036 -0.1085 30 VAL d N ? ? 1 +37697 C CA . VAL X 19 0.4620 1.0260 0.9766 -0.0642 -0.2017 -0.1109 30 VAL d CA ? ? 1 +37698 C CB . VAL X 19 0.4720 1.0394 0.9914 -0.0700 -0.2094 -0.1193 30 VAL d CB ? ? 1 +37699 C CG1 . VAL X 19 0.4637 1.0387 1.0004 -0.0790 -0.2062 -0.1217 30 VAL d CG1 ? ? 1 +37700 C CG2 . VAL X 19 0.4894 1.0416 0.9910 -0.0698 -0.2114 -0.1225 30 VAL d CG2 ? ? 1 +37701 C C . VAL X 19 0.4407 1.0194 0.9714 -0.0634 -0.2007 -0.1078 30 VAL d C ? ? 1 +37702 O O . VAL X 19 0.4284 1.0086 0.9660 -0.0650 -0.1930 -0.1033 30 VAL d O ? ? 1 +37703 N N . GLY X 20 0.4368 1.0263 0.9733 -0.0608 -0.2087 -0.1104 31 GLY d N ? ? 1 +37704 C CA . GLY X 20 0.4187 1.0231 0.9716 -0.0605 -0.2087 -0.1086 31 GLY d CA ? ? 1 +37705 C C . GLY X 20 0.4063 1.0218 0.9788 -0.0691 -0.2073 -0.1119 31 GLY d C ? ? 1 +37706 O O . GLY X 20 0.4091 1.0198 0.9825 -0.0757 -0.2051 -0.1150 31 GLY d O ? ? 1 +37707 N N . TRP X 21 0.3912 1.0213 0.9790 -0.0688 -0.2084 -0.1112 32 TRP d N ? ? 1 +37708 C CA . TRP X 21 0.3785 1.0193 0.9852 -0.0763 -0.2053 -0.1130 32 TRP d CA ? ? 1 +37709 C CB . TRP X 21 0.3660 1.0227 0.9875 -0.0740 -0.2075 -0.1121 32 TRP d CB ? ? 1 +37710 C CG . TRP X 21 0.3720 1.0389 0.9984 -0.0723 -0.2182 -0.1179 32 TRP d CG ? ? 1 +37711 C CD1 . TRP X 21 0.3769 1.0447 0.9957 -0.0642 -0.2247 -0.1173 32 TRP d CD1 ? ? 1 +37712 N NE1 . TRP X 21 0.3825 1.0611 1.0092 -0.0650 -0.2342 -0.1240 32 TRP d NE1 ? ? 1 +37713 C CE2 . TRP X 21 0.3800 1.0655 1.0208 -0.0740 -0.2337 -0.1291 32 TRP d CE2 ? ? 1 +37714 C CZ2 . TRP X 21 0.3831 1.0809 1.0367 -0.0784 -0.2412 -0.1368 32 TRP d CZ2 ? ? 1 +37715 C CH2 . TRP X 21 0.3801 1.0820 1.0461 -0.0880 -0.2380 -0.1407 32 TRP d CH2 ? ? 1 +37716 C CZ3 . TRP X 21 0.3742 1.0677 1.0392 -0.0930 -0.2277 -0.1369 32 TRP d CZ3 ? ? 1 +37717 C CE3 . TRP X 21 0.3706 1.0523 1.0230 -0.0883 -0.2207 -0.1293 32 TRP d CE3 ? ? 1 +37718 C CD2 . TRP X 21 0.3734 1.0511 1.0136 -0.0788 -0.2235 -0.1254 32 TRP d CD2 ? ? 1 +37719 C C . TRP X 21 0.3707 1.0039 0.9768 -0.0797 -0.1947 -0.1083 32 TRP d C ? ? 1 +37720 O O . TRP X 21 0.3687 1.0028 0.9831 -0.0873 -0.1915 -0.1108 32 TRP d O ? ? 1 +37721 N N . SER X 22 0.3663 0.9920 0.9625 -0.0739 -0.1894 -0.1015 33 SER d N ? ? 1 +37722 C CA . SER X 22 0.3596 0.9776 0.9539 -0.0759 -0.1797 -0.0967 33 SER d CA ? ? 1 +37723 C CB . SER X 22 0.3564 0.9674 0.9393 -0.0683 -0.1756 -0.0898 33 SER d CB ? ? 1 +37724 O OG . SER X 22 0.3691 0.9675 0.9338 -0.0639 -0.1774 -0.0897 33 SER d OG ? ? 1 +37725 C C . SER X 22 0.3696 0.9755 0.9560 -0.0809 -0.1772 -0.0993 33 SER d C ? ? 1 +37726 O O . SER X 22 0.3650 0.9676 0.9552 -0.0856 -0.1703 -0.0977 33 SER d O ? ? 1 +37727 N N . GLY X 23 0.3844 0.9830 0.9591 -0.0797 -0.1829 -0.1033 34 GLY d N ? ? 1 +37728 C CA . GLY X 23 0.3959 0.9814 0.9607 -0.0836 -0.1809 -0.1057 34 GLY d CA ? ? 1 +37729 C C . GLY X 23 0.3973 0.9862 0.9737 -0.0931 -0.1803 -0.1107 34 GLY d C ? ? 1 +37730 O O . GLY X 23 0.4014 0.9796 0.9723 -0.0970 -0.1756 -0.1109 34 GLY d O ? ? 1 +37731 N N . ILE X 24 0.3943 0.9980 0.9866 -0.0966 -0.1852 -0.1147 35 ILE d N ? ? 1 +37732 C CA . ILE X 24 0.3943 1.0032 0.9997 -0.1060 -0.1844 -0.1194 35 ILE d CA ? ? 1 +37733 C CB . ILE X 24 0.3901 1.0170 1.0125 -0.1079 -0.1911 -0.1239 35 ILE d CB ? ? 1 +37734 C CG1 . ILE X 24 0.4031 1.0314 1.0201 -0.1058 -0.2015 -0.1297 35 ILE d CG1 ? ? 1 +37735 C CG2 . ILE X 24 0.3857 1.0206 1.0249 -0.1176 -0.1884 -0.1275 35 ILE d CG2 ? ? 1 +37736 C CD1 . ILE X 24 0.3982 1.0427 1.0262 -0.1024 -0.2088 -0.1316 35 ILE d CD1 ? ? 1 +37737 C C . ILE X 24 0.3849 0.9910 0.9955 -0.1098 -0.1745 -0.1151 35 ILE d C ? ? 1 +37738 O O . ILE X 24 0.3892 0.9896 1.0010 -0.1168 -0.1712 -0.1175 35 ILE d O ? ? 1 +37739 N N . LEU X 25 0.3729 0.9825 0.9859 -0.1052 -0.1699 -0.1087 36 LEU d N ? ? 1 +37740 C CA . LEU X 25 0.3651 0.9712 0.9812 -0.1076 -0.1607 -0.1040 36 LEU d CA ? ? 1 +37741 C CB . LEU X 25 0.3490 0.9666 0.9756 -0.1042 -0.1583 -0.0994 36 LEU d CB ? ? 1 +37742 C CG . LEU X 25 0.3391 0.9545 0.9699 -0.1064 -0.1492 -0.0945 36 LEU d CG ? ? 1 +37743 C CD1 . LEU X 25 0.3383 0.9575 0.9811 -0.1155 -0.1466 -0.0980 36 LEU d CD1 ? ? 1 +37744 C CD2 . LEU X 25 0.3255 0.9502 0.9631 -0.1014 -0.1473 -0.0894 36 LEU d CD2 ? ? 1 +37745 C C . LEU X 25 0.3728 0.9623 0.9722 -0.1043 -0.1551 -0.0998 36 LEU d C ? ? 1 +37746 O O . LEU X 25 0.3732 0.9546 0.9711 -0.1087 -0.1492 -0.0991 36 LEU d O ? ? 1 +37747 N N . LEU X 26 0.3789 0.9633 0.9659 -0.0964 -0.1568 -0.0968 37 LEU d N ? ? 1 +37748 C CA . LEU X 26 0.3837 0.9542 0.9560 -0.0923 -0.1512 -0.0922 37 LEU d CA ? ? 1 +37749 C CB . LEU X 26 0.3869 0.9549 0.9479 -0.0836 -0.1538 -0.0892 37 LEU d CB ? ? 1 +37750 C CG . LEU X 26 0.3943 0.9471 0.9381 -0.0790 -0.1492 -0.0856 37 LEU d CG ? ? 1 +37751 C CD1 . LEU X 26 0.3847 0.9343 0.9302 -0.0789 -0.1404 -0.0801 37 LEU d CD1 ? ? 1 +37752 C CD2 . LEU X 26 0.3977 0.9490 0.9313 -0.0710 -0.1519 -0.0831 37 LEU d CD2 ? ? 1 +37753 C C . LEU X 26 0.4000 0.9565 0.9613 -0.0957 -0.1503 -0.0953 37 LEU d C ? ? 1 +37754 O O . LEU X 26 0.4008 0.9482 0.9581 -0.0972 -0.1435 -0.0927 37 LEU d O ? ? 1 +37755 N N . PHE X 27 0.4144 0.9688 0.9703 -0.0965 -0.1573 -0.1009 38 PHE d N ? ? 1 +37756 C CA . PHE X 27 0.4305 0.9702 0.9729 -0.0981 -0.1572 -0.1037 38 PHE d CA ? ? 1 +37757 C CB . PHE X 27 0.4448 0.9836 0.9801 -0.0968 -0.1661 -0.1092 38 PHE d CB ? ? 1 +37758 C CG . PHE X 27 0.4494 0.9864 0.9734 -0.0877 -0.1687 -0.1062 38 PHE d CG ? ? 1 +37759 C CD1 . PHE X 27 0.4531 0.9796 0.9646 -0.0820 -0.1629 -0.1006 38 PHE d CD1 ? ? 1 +37760 C CD2 . PHE X 27 0.4538 0.9991 0.9795 -0.0849 -0.1769 -0.1089 38 PHE d CD2 ? ? 1 +37761 C CE1 . PHE X 27 0.4563 0.9809 0.9573 -0.0741 -0.1648 -0.0978 38 PHE d CE1 ? ? 1 +37762 C CE2 . PHE X 27 0.4572 0.9998 0.9716 -0.0767 -0.1791 -0.1061 38 PHE d CE2 ? ? 1 +37763 C CZ . PHE X 27 0.4587 0.9908 0.9608 -0.0715 -0.1729 -0.1005 38 PHE d CZ ? ? 1 +37764 C C . PHE X 27 0.4337 0.9686 0.9806 -0.1064 -0.1532 -0.1063 38 PHE d C ? ? 1 +37765 O O . PHE X 27 0.4402 0.9617 0.9770 -0.1064 -0.1478 -0.1045 38 PHE d O ? ? 1 +37766 N N . PRO X 28 0.4291 0.9740 0.9910 -0.1137 -0.1554 -0.1106 39 PRO d N ? ? 1 +37767 C CA . PRO X 28 0.4312 0.9709 0.9972 -0.1218 -0.1506 -0.1124 39 PRO d CA ? ? 1 +37768 C CB . PRO X 28 0.4265 0.9810 1.0105 -0.1286 -0.1543 -0.1171 39 PRO d CB ? ? 1 +37769 C CG . PRO X 28 0.4182 0.9865 1.0090 -0.1234 -0.1593 -0.1162 39 PRO d CG ? ? 1 +37770 C CD . PRO X 28 0.4231 0.9844 0.9984 -0.1146 -0.1619 -0.1136 39 PRO d CD ? ? 1 +37771 C C . PRO X 28 0.4222 0.9572 0.9880 -0.1208 -0.1414 -0.1060 39 PRO d C ? ? 1 +37772 O O . PRO X 28 0.4283 0.9496 0.9846 -0.1220 -0.1365 -0.1050 39 PRO d O ? ? 1 +37773 N N . CYS X 29 0.4083 0.9543 0.9840 -0.1181 -0.1393 -0.1016 40 CYS d N ? ? 1 +37774 C CA . CYS X 29 0.4002 0.9438 0.9779 -0.1176 -0.1310 -0.0958 40 CYS d CA ? ? 1 +37775 C CB . CYS X 29 0.3850 0.9434 0.9759 -0.1156 -0.1303 -0.0925 40 CYS d CB ? ? 1 +37776 S SG . CYS X 29 0.3807 0.9544 0.9921 -0.1240 -0.1324 -0.0971 40 CYS d SG ? ? 1 +37777 C C . CYS X 29 0.4040 0.9341 0.9662 -0.1114 -0.1265 -0.0911 40 CYS d C ? ? 1 +37778 O O . CYS X 29 0.4052 0.9265 0.9640 -0.1129 -0.1200 -0.0886 40 CYS d O ? ? 1 +37779 N N . ALA X 30 0.4072 0.9356 0.9598 -0.1043 -0.1298 -0.0898 41 ALA d N ? ? 1 +37780 C CA . ALA X 30 0.4119 0.9280 0.9497 -0.0983 -0.1257 -0.0857 41 ALA d CA ? ? 1 +37781 C CB . ALA X 30 0.4121 0.9299 0.9423 -0.0906 -0.1296 -0.0842 41 ALA d CB ? ? 1 +37782 C C . ALA X 30 0.4279 0.9287 0.9537 -0.1008 -0.1247 -0.0888 41 ALA d C ? ? 1 +37783 O O . ALA X 30 0.4326 0.9226 0.9501 -0.0989 -0.1188 -0.0856 41 ALA d O ? ? 1 +37784 N N . TYR X 31 0.4386 0.9384 0.9633 -0.1049 -0.1306 -0.0951 42 TYR d N ? ? 1 +37785 C CA . TYR X 31 0.4544 0.9395 0.9675 -0.1077 -0.1302 -0.0986 42 TYR d CA ? ? 1 +37786 C CB . TYR X 31 0.4655 0.9523 0.9781 -0.1112 -0.1385 -0.1058 42 TYR d CB ? ? 1 +37787 C CG . TYR X 31 0.4826 0.9541 0.9828 -0.1142 -0.1389 -0.1100 42 TYR d CG ? ? 1 +37788 C CD1 . TYR X 31 0.4924 0.9498 0.9754 -0.1084 -0.1368 -0.1082 42 TYR d CD1 ? ? 1 +37789 C CD2 . TYR X 31 0.4888 0.9596 0.9944 -0.1228 -0.1412 -0.1160 42 TYR d CD2 ? ? 1 +37790 C CE1 . TYR X 31 0.5086 0.9514 0.9797 -0.1109 -0.1371 -0.1121 42 TYR d CE1 ? ? 1 +37791 C CE2 . TYR X 31 0.5054 0.9615 0.9993 -0.1257 -0.1415 -0.1200 42 TYR d CE2 ? ? 1 +37792 C CZ . TYR X 31 0.5152 0.9572 0.9916 -0.1196 -0.1395 -0.1180 42 TYR d CZ ? ? 1 +37793 O OH . TYR X 31 0.5330 0.9600 0.9974 -0.1222 -0.1398 -0.1220 42 TYR d OH ? ? 1 +37794 C C . TYR X 31 0.4548 0.9342 0.9719 -0.1140 -0.1241 -0.0984 42 TYR d C ? ? 1 +37795 O O . TYR X 31 0.4657 0.9311 0.9717 -0.1131 -0.1197 -0.0971 42 TYR d O ? ? 1 +37796 N N . LEU X 32 0.4449 0.9349 0.9775 -0.1201 -0.1237 -0.0994 43 LEU d N ? ? 1 +37797 C CA . LEU X 32 0.4426 0.9275 0.9794 -0.1266 -0.1180 -0.0994 43 LEU d CA ? ? 1 +37798 C CB . LEU X 32 0.4332 0.9317 0.9878 -0.1339 -0.1193 -0.1021 43 LEU d CB ? ? 1 +37799 C CG . LEU X 32 0.4396 0.9447 0.9999 -0.1391 -0.1269 -0.1094 43 LEU d CG ? ? 1 +37800 C CD1 . LEU X 32 0.4312 0.9485 1.0092 -0.1469 -0.1266 -0.1120 43 LEU d CD1 ? ? 1 +37801 C CD2 . LEU X 32 0.4577 0.9486 1.0062 -0.1423 -0.1286 -0.1142 43 LEU d CD2 ? ? 1 +37802 C C . LEU X 32 0.4341 0.9143 0.9681 -0.1225 -0.1102 -0.0925 43 LEU d C ? ? 1 +37803 O O . LEU X 32 0.4399 0.9084 0.9683 -0.1247 -0.1050 -0.0916 43 LEU d O ? ? 1 +37804 N N . ALA X 33 0.4199 0.9093 0.9580 -0.1166 -0.1096 -0.0878 44 ALA d N ? ? 1 +37805 C CA . ALA X 33 0.4131 0.8991 0.9490 -0.1123 -0.1028 -0.0814 44 ALA d CA ? ? 1 +37806 C CB . ALA X 33 0.3980 0.8965 0.9407 -0.1069 -0.1033 -0.0772 44 ALA d CB ? ? 1 +37807 C C . ALA X 33 0.4232 0.8938 0.9424 -0.1073 -0.1000 -0.0797 44 ALA d C ? ? 1 +37808 O O . ALA X 33 0.4254 0.8870 0.9403 -0.1071 -0.0941 -0.0769 44 ALA d O ? ? 1 +37809 N N . LEU X 34 0.4305 0.8979 0.9401 -0.1032 -0.1044 -0.0815 45 LEU d N ? ? 1 +37810 C CA . LEU X 34 0.4408 0.8939 0.9344 -0.0983 -0.1022 -0.0805 45 LEU d CA ? ? 1 +37811 C CB . LEU X 34 0.4483 0.9018 0.9337 -0.0930 -0.1074 -0.0817 45 LEU d CB ? ? 1 +37812 C CG . LEU X 34 0.4605 0.9007 0.9296 -0.0870 -0.1048 -0.0801 45 LEU d CG ? ? 1 +37813 C CD1 . LEU X 34 0.4521 0.8915 0.9204 -0.0815 -0.0980 -0.0736 45 LEU d CD1 ? ? 1 +37814 C CD2 . LEU X 34 0.4673 0.9081 0.9283 -0.0821 -0.1099 -0.0815 45 LEU d CD2 ? ? 1 +37815 C C . LEU X 34 0.4529 0.8923 0.9393 -0.1036 -0.1011 -0.0844 45 LEU d C ? ? 1 +37816 O O . LEU X 34 0.4567 0.8843 0.9348 -0.1019 -0.0958 -0.0822 45 LEU d O ? ? 1 +37817 N N . GLY X 35 0.4569 0.8981 0.9469 -0.1099 -0.1062 -0.0903 46 GLY d N ? ? 1 +37818 C CA . GLY X 35 0.4693 0.8983 0.9537 -0.1160 -0.1056 -0.0947 46 GLY d CA ? ? 1 +37819 C C . GLY X 35 0.4659 0.8897 0.9540 -0.1204 -0.0990 -0.0927 46 GLY d C ? ? 1 +37820 O O . GLY X 35 0.4786 0.8874 0.9565 -0.1215 -0.0957 -0.0933 46 GLY d O ? ? 1 +37821 N N . GLY X 36 0.4495 0.8853 0.9518 -0.1228 -0.0972 -0.0903 47 GLY d N ? ? 1 +37822 C CA . GLY X 36 0.4447 0.8765 0.9507 -0.1264 -0.0907 -0.0878 47 GLY d CA ? ? 1 +37823 C C . GLY X 36 0.4421 0.8636 0.9381 -0.1200 -0.0847 -0.0824 47 GLY d C ? ? 1 +37824 O O . GLY X 36 0.4501 0.8592 0.9402 -0.1222 -0.0802 -0.0820 47 GLY d O ? ? 1 +37825 N N . TRP X 37 0.4309 0.8575 0.9251 -0.1120 -0.0847 -0.0782 48 TRP d N ? ? 1 +37826 C CA . TRP X 37 0.4280 0.8464 0.9135 -0.1054 -0.0794 -0.0732 48 TRP d CA ? ? 1 +37827 C CB . TRP X 37 0.4155 0.8430 0.9022 -0.0976 -0.0800 -0.0691 48 TRP d CB ? ? 1 +37828 C CG . TRP X 37 0.4116 0.8329 0.8919 -0.0914 -0.0744 -0.0640 48 TRP d CG ? ? 1 +37829 C CD1 . TRP X 37 0.4037 0.8256 0.8889 -0.0914 -0.0693 -0.0600 48 TRP d CD1 ? ? 1 +37830 N NE1 . TRP X 37 0.4043 0.8194 0.8811 -0.0845 -0.0653 -0.0562 48 TRP d NE1 ? ? 1 +37831 C CE2 . TRP X 37 0.4118 0.8218 0.8783 -0.0801 -0.0675 -0.0576 48 TRP d CE2 ? ? 1 +37832 C CZ2 . TRP X 37 0.4147 0.8177 0.8708 -0.0727 -0.0648 -0.0551 48 TRP d CZ2 ? ? 1 +37833 C CH2 . TRP X 37 0.4235 0.8222 0.8701 -0.0696 -0.0677 -0.0575 48 TRP d CH2 ? ? 1 +37834 C CZ3 . TRP X 37 0.4294 0.8303 0.8761 -0.0735 -0.0734 -0.0621 48 TRP d CZ3 ? ? 1 +37835 C CE3 . TRP X 37 0.4255 0.8340 0.8830 -0.0807 -0.0764 -0.0647 48 TRP d CE3 ? ? 1 +37836 C CD2 . TRP X 37 0.4166 0.8298 0.8844 -0.0842 -0.0732 -0.0624 48 TRP d CD2 ? ? 1 +37837 C C . TRP X 37 0.4441 0.8453 0.9136 -0.1036 -0.0785 -0.0751 48 TRP d C ? ? 1 +37838 O O . TRP X 37 0.4491 0.8391 0.9122 -0.1028 -0.0735 -0.0732 48 TRP d O ? ? 1 +37839 N N . LEU X 38 0.4527 0.8518 0.9156 -0.1029 -0.0836 -0.0791 49 LEU d N ? ? 1 +37840 C CA . LEU X 38 0.4690 0.8519 0.9162 -0.1011 -0.0833 -0.0815 49 LEU d CA ? ? 1 +37841 C CB . LEU X 38 0.4758 0.8601 0.9174 -0.0992 -0.0896 -0.0852 49 LEU d CB ? ? 1 +37842 C CG . LEU X 38 0.4672 0.8593 0.9075 -0.0910 -0.0905 -0.0815 49 LEU d CG ? ? 1 +37843 C CD1 . LEU X 38 0.4737 0.8687 0.9101 -0.0901 -0.0973 -0.0854 49 LEU d CD1 ? ? 1 +37844 C CD2 . LEU X 38 0.4702 0.8522 0.8988 -0.0835 -0.0854 -0.0776 49 LEU d CD2 ? ? 1 +37845 C C . LEU X 38 0.4807 0.8518 0.9249 -0.1084 -0.0818 -0.0851 49 LEU d C ? ? 1 +37846 O O . LEU X 38 0.4915 0.8479 0.9246 -0.1065 -0.0779 -0.0843 49 LEU d O ? ? 1 +37847 N N . THR X 39 0.4789 0.8562 0.9331 -0.1166 -0.0847 -0.0890 50 THR d N ? ? 1 +37848 C CA . THR X 39 0.4885 0.8558 0.9418 -0.1244 -0.0827 -0.0921 50 THR d CA ? ? 1 +37849 C CB . THR X 39 0.4852 0.8633 0.9522 -0.1333 -0.0864 -0.0965 50 THR d CB ? ? 1 +37850 O OG1 . THR X 39 0.4883 0.8722 0.9551 -0.1333 -0.0936 -0.1009 50 THR d OG1 ? ? 1 +37851 C CG2 . THR X 39 0.4972 0.8646 0.9631 -0.1420 -0.0841 -0.1000 50 THR d CG2 ? ? 1 +37852 C C . THR X 39 0.4847 0.8456 0.9376 -0.1239 -0.0754 -0.0874 50 THR d C ? ? 1 +37853 O O . THR X 39 0.4975 0.8425 0.9400 -0.1248 -0.0720 -0.0880 50 THR d O ? ? 1 +37854 N N . GLY X 40 0.4679 0.8407 0.9317 -0.1224 -0.0732 -0.0830 51 GLY d N ? ? 1 +37855 C CA . GLY X 40 0.4643 0.8325 0.9291 -0.1225 -0.0667 -0.0787 51 GLY d CA ? ? 1 +37856 C C . GLY X 40 0.4678 0.8243 0.9200 -0.1145 -0.0625 -0.0747 51 GLY d C ? ? 1 +37857 O O . GLY X 40 0.4767 0.8202 0.9222 -0.1153 -0.0580 -0.0736 51 GLY d O ? ? 1 +37858 N N . THR X 41 0.4612 0.8222 0.9101 -0.1065 -0.0639 -0.0724 52 THR d N ? ? 1 +37859 C CA . THR X 41 0.4640 0.8152 0.9015 -0.0986 -0.0602 -0.0689 52 THR d CA ? ? 1 +37860 C CB . THR X 41 0.4531 0.8138 0.8912 -0.0906 -0.0615 -0.0660 52 THR d CB ? ? 1 +37861 O OG1 . THR X 41 0.4573 0.8208 0.8927 -0.0905 -0.0670 -0.0697 52 THR d OG1 ? ? 1 +37862 C CG2 . THR X 41 0.4343 0.8108 0.8860 -0.0898 -0.0609 -0.0621 52 THR d CG2 ? ? 1 +37863 C C . THR X 41 0.4831 0.8162 0.9054 -0.0984 -0.0599 -0.0722 52 THR d C ? ? 1 +37864 O O . THR X 41 0.4890 0.8109 0.9018 -0.0936 -0.0558 -0.0698 52 THR d O ? ? 1 +37865 N N . THR X 42 0.4932 0.8235 0.9131 -0.1036 -0.0643 -0.0778 53 THR d N ? ? 1 +37866 C CA . THR X 42 0.5120 0.8249 0.9174 -0.1040 -0.0644 -0.0815 53 THR d CA ? ? 1 +37867 C CB . THR X 42 0.5184 0.8332 0.9213 -0.1060 -0.0708 -0.0867 53 THR d CB ? ? 1 +37868 O OG1 . THR X 42 0.5083 0.8332 0.9120 -0.0989 -0.0730 -0.0845 53 THR d OG1 ? ? 1 +37869 C CG2 . THR X 42 0.5393 0.8359 0.9265 -0.1064 -0.0712 -0.0909 53 THR d CG2 ? ? 1 +37870 C C . THR X 42 0.5236 0.8239 0.9264 -0.1109 -0.0613 -0.0832 53 THR d C ? ? 1 +37871 O O . THR X 42 0.5370 0.8209 0.9270 -0.1086 -0.0582 -0.0832 53 THR d O ? ? 1 +37872 N N . PHE X 43 0.5189 0.8266 0.9336 -0.1191 -0.0619 -0.0847 54 PHE d N ? ? 1 +37873 C CA . PHE X 43 0.5315 0.8277 0.9442 -0.1272 -0.0597 -0.0875 54 PHE d CA ? ? 1 +37874 C CB . PHE X 43 0.5367 0.8368 0.9546 -0.1358 -0.0650 -0.0941 54 PHE d CB ? ? 1 +37875 C CG . PHE X 43 0.5468 0.8415 0.9546 -0.1335 -0.0699 -0.0983 54 PHE d CG ? ? 1 +37876 C CD1 . PHE X 43 0.5641 0.8397 0.9556 -0.1316 -0.0684 -0.0999 54 PHE d CD1 ? ? 1 +37877 C CD2 . PHE X 43 0.5397 0.8479 0.9538 -0.1330 -0.0761 -0.1007 54 PHE d CD2 ? ? 1 +37878 C CE1 . PHE X 43 0.5748 0.8450 0.9565 -0.1294 -0.0728 -0.1039 54 PHE d CE1 ? ? 1 +37879 C CE2 . PHE X 43 0.5507 0.8533 0.9546 -0.1308 -0.0807 -0.1046 54 PHE d CE2 ? ? 1 +37880 C CZ . PHE X 43 0.5683 0.8519 0.9560 -0.1291 -0.0789 -0.1062 54 PHE d CZ ? ? 1 +37881 C C . PHE X 43 0.5256 0.8241 0.9467 -0.1310 -0.0548 -0.0843 54 PHE d C ? ? 1 +37882 O O . PHE X 43 0.5378 0.8228 0.9535 -0.1357 -0.0514 -0.0852 54 PHE d O ? ? 1 +37883 N N . VAL X 44 0.5086 0.8233 0.9423 -0.1292 -0.0546 -0.0806 55 VAL d N ? ? 1 +37884 C CA . VAL X 44 0.5031 0.8223 0.9465 -0.1339 -0.0508 -0.0782 55 VAL d CA ? ? 1 +37885 C CB . VAL X 44 0.4870 0.8271 0.9478 -0.1375 -0.0541 -0.0788 55 VAL d CB ? ? 1 +37886 C CG1 . VAL X 44 0.4779 0.8236 0.9489 -0.1414 -0.0499 -0.0759 55 VAL d CG1 ? ? 1 +37887 C CG2 . VAL X 44 0.4937 0.8375 0.9588 -0.1449 -0.0594 -0.0855 55 VAL d CG2 ? ? 1 +37888 C C . VAL X 44 0.5004 0.8154 0.9403 -0.1276 -0.0453 -0.0720 55 VAL d C ? ? 1 +37889 O O . VAL X 44 0.4927 0.8126 0.9312 -0.1192 -0.0453 -0.0684 55 VAL d O ? ? 1 +37890 N N . THR X 45 0.5083 0.8143 0.9471 -0.1321 -0.0406 -0.0710 56 THR d N ? ? 1 +37891 C CA . THR X 45 0.5077 0.8080 0.9427 -0.1272 -0.0353 -0.0655 56 THR d CA ? ? 1 +37892 C CB . THR X 45 0.5252 0.8067 0.9509 -0.1319 -0.0307 -0.0662 56 THR d CB ? ? 1 +37893 O OG1 . THR X 45 0.5260 0.7999 0.9454 -0.1257 -0.0261 -0.0610 56 THR d OG1 ? ? 1 +37894 C CG2 . THR X 45 0.5256 0.8102 0.9608 -0.1425 -0.0293 -0.0683 56 THR d CG2 ? ? 1 +37895 C C . THR X 45 0.4914 0.8075 0.9404 -0.1275 -0.0341 -0.0619 56 THR d C ? ? 1 +37896 O O . THR X 45 0.4826 0.8124 0.9442 -0.1329 -0.0367 -0.0639 56 THR d O ? ? 1 +37897 N N . SER X 46 0.4880 0.8014 0.9343 -0.1217 -0.0301 -0.0567 57 SER d N ? ? 1 +37898 C CA . SER X 46 0.4758 0.7998 0.9327 -0.1224 -0.0277 -0.0530 57 SER d CA ? ? 1 +37899 C CB . SER X 46 0.4597 0.7961 0.9212 -0.1139 -0.0287 -0.0488 57 SER d CB ? ? 1 +37900 O OG . SER X 46 0.4538 0.8004 0.9189 -0.1121 -0.0337 -0.0510 57 SER d OG ? ? 1 +37901 C C . SER X 46 0.4870 0.7976 0.9375 -0.1236 -0.0220 -0.0503 57 SER d C ? ? 1 +37902 O O . SER X 46 0.4790 0.7949 0.9345 -0.1217 -0.0194 -0.0463 57 SER d O ? ? 1 +37903 N N . TRP X 47 0.5084 0.8010 0.9474 -0.1268 -0.0202 -0.0527 58 TRP d N ? ? 1 +37904 C CA . TRP X 47 0.5218 0.7994 0.9529 -0.1281 -0.0149 -0.0506 58 TRP d CA ? ? 1 +37905 C CB . TRP X 47 0.5449 0.8031 0.9634 -0.1324 -0.0140 -0.0544 58 TRP d CB ? ? 1 +37906 C CG . TRP X 47 0.5615 0.8004 0.9672 -0.1311 -0.0088 -0.0519 58 TRP d CG ? ? 1 +37907 C CD1 . TRP X 47 0.5783 0.8027 0.9783 -0.1387 -0.0053 -0.0537 58 TRP d CD1 ? ? 1 +37908 N NE1 . TRP X 47 0.5901 0.7981 0.9775 -0.1341 -0.0011 -0.0502 58 TRP d NE1 ? ? 1 +37909 C CE2 . TRP X 47 0.5803 0.7929 0.9658 -0.1234 -0.0019 -0.0463 58 TRP d CE2 ? ? 1 +37910 C CZ2 . TRP X 47 0.5864 0.7879 0.9612 -0.1152 0.0010 -0.0422 58 TRP d CZ2 ? ? 1 +37911 C CH2 . TRP X 47 0.5739 0.7846 0.9504 -0.1054 -0.0007 -0.0391 58 TRP d CH2 ? ? 1 +37912 C CZ3 . TRP X 47 0.5572 0.7868 0.9450 -0.1036 -0.0049 -0.0399 58 TRP d CZ3 ? ? 1 +37913 C CE3 . TRP X 47 0.5513 0.7911 0.9488 -0.1114 -0.0078 -0.0438 58 TRP d CE3 ? ? 1 +37914 C CD2 . TRP X 47 0.5627 0.7945 0.9595 -0.1214 -0.0065 -0.0472 58 TRP d CD2 ? ? 1 +37915 C C . TRP X 47 0.5170 0.8005 0.9579 -0.1347 -0.0119 -0.0493 58 TRP d C ? ? 1 +37916 O O . TRP X 47 0.5141 0.7954 0.9537 -0.1315 -0.0083 -0.0449 58 TRP d O ? ? 1 +37917 N N . TYR X 48 0.5180 0.8092 0.9688 -0.1438 -0.0134 -0.0532 59 TYR d N ? ? 1 +37918 C CA . TYR X 48 0.5162 0.8113 0.9756 -0.1512 -0.0100 -0.0528 59 TYR d CA ? ? 1 +37919 C CB . TYR X 48 0.5261 0.8224 0.9913 -0.1619 -0.0113 -0.0587 59 TYR d CB ? ? 1 +37920 C CG . TYR X 48 0.5495 0.8266 1.0011 -0.1647 -0.0109 -0.0621 59 TYR d CG ? ? 1 +37921 C CD1 . TYR X 48 0.5679 0.8257 1.0081 -0.1672 -0.0056 -0.0610 59 TYR d CD1 ? ? 1 +37922 C CD2 . TYR X 48 0.5553 0.8326 1.0044 -0.1643 -0.0159 -0.0663 59 TYR d CD2 ? ? 1 +37923 C CE1 . TYR X 48 0.5886 0.8279 1.0157 -0.1696 -0.0051 -0.0642 59 TYR d CE1 ? ? 1 +37924 C CE2 . TYR X 48 0.5764 0.8356 1.0125 -0.1667 -0.0156 -0.0696 59 TYR d CE2 ? ? 1 +37925 C CZ . TYR X 48 0.5932 0.8333 1.0183 -0.1693 -0.0101 -0.0685 59 TYR d CZ ? ? 1 +37926 O OH . TYR X 48 0.6172 0.8386 1.0291 -0.1717 -0.0097 -0.0718 59 TYR d OH ? ? 1 +37927 C C . TYR X 48 0.4945 0.8087 0.9676 -0.1488 -0.0105 -0.0496 59 TYR d C ? ? 1 +37928 O O . TYR X 48 0.4920 0.8087 0.9708 -0.1528 -0.0069 -0.0479 59 TYR d O ? ? 1 +37929 N N . THR X 49 0.4798 0.8069 0.9576 -0.1422 -0.0147 -0.0486 60 THR d N ? ? 1 +37930 C CA . THR X 49 0.4584 0.8036 0.9489 -0.1395 -0.0157 -0.0458 60 THR d CA ? ? 1 +37931 C CB . THR X 49 0.4478 0.8090 0.9480 -0.1395 -0.0216 -0.0487 60 THR d CB ? ? 1 +37932 O OG1 . THR X 49 0.4514 0.8078 0.9426 -0.1332 -0.0246 -0.0493 60 THR d OG1 ? ? 1 +37933 C CG2 . THR X 49 0.4518 0.8170 0.9594 -0.1492 -0.0235 -0.0541 60 THR d CG2 ? ? 1 +37934 C C . THR X 49 0.4499 0.7951 0.9361 -0.1298 -0.0143 -0.0403 60 THR d C ? ? 1 +37935 O O . THR X 49 0.4383 0.7927 0.9320 -0.1285 -0.0127 -0.0370 60 THR d O ? ? 1 +37936 N N . HIS X 50 0.4558 0.7909 0.9302 -0.1231 -0.0149 -0.0395 61 HIS d N ? ? 1 +37937 C CA . HIS X 50 0.4482 0.7839 0.9187 -0.1134 -0.0141 -0.0349 61 HIS d CA ? ? 1 +37938 C CB . HIS X 50 0.4383 0.7843 0.9112 -0.1075 -0.0185 -0.0353 61 HIS d CB ? ? 1 +37939 C CG . HIS X 50 0.4205 0.7863 0.9080 -0.1085 -0.0215 -0.0352 61 HIS d CG ? ? 1 +37940 N ND1 . HIS X 50 0.4059 0.7827 0.8985 -0.1018 -0.0220 -0.0314 61 HIS d ND1 ? ? 1 +37941 C CE1 . HIS X 50 0.3938 0.7864 0.8988 -0.1045 -0.0247 -0.0324 61 HIS d CE1 ? ? 1 +37942 N NE2 . HIS X 50 0.3988 0.7917 0.9073 -0.1124 -0.0262 -0.0367 61 HIS d NE2 ? ? 1 +37943 C CD2 . HIS X 50 0.4158 0.7918 0.9134 -0.1152 -0.0241 -0.0386 61 HIS d CD2 ? ? 1 +37944 C C . HIS X 50 0.4621 0.7791 0.9173 -0.1086 -0.0109 -0.0330 61 HIS d C ? ? 1 +37945 O O . HIS X 50 0.4577 0.7745 0.9104 -0.1016 -0.0094 -0.0289 61 HIS d O ? ? 1 +37946 N N . GLY X 51 0.4806 0.7819 0.9258 -0.1124 -0.0100 -0.0360 62 GLY d N ? ? 1 +37947 C CA . GLY X 51 0.4958 0.7786 0.9255 -0.1074 -0.0075 -0.0348 62 GLY d CA ? ? 1 +37948 C C . GLY X 51 0.4961 0.7786 0.9200 -0.0995 -0.0103 -0.0351 62 GLY d C ? ? 1 +37949 O O . GLY X 51 0.5015 0.7765 0.9168 -0.0916 -0.0088 -0.0323 62 GLY d O ? ? 1 +37950 N N . LEU X 52 0.4909 0.7822 0.9197 -0.1014 -0.0144 -0.0385 63 LEU d N ? ? 1 +37951 C CA . LEU X 52 0.4873 0.7811 0.9123 -0.0940 -0.0172 -0.0388 63 LEU d CA ? ? 1 +37952 C CB . LEU X 52 0.4675 0.7814 0.9048 -0.0908 -0.0199 -0.0370 63 LEU d CB ? ? 1 +37953 C CG . LEU X 52 0.4543 0.7767 0.8977 -0.0863 -0.0180 -0.0321 63 LEU d CG ? ? 1 +37954 C CD1 . LEU X 52 0.4366 0.7780 0.8917 -0.0841 -0.0210 -0.0312 63 LEU d CD1 ? ? 1 +37955 C CD2 . LEU X 52 0.4596 0.7726 0.8932 -0.0778 -0.0156 -0.0290 63 LEU d CD2 ? ? 1 +37956 C C . LEU X 52 0.4966 0.7846 0.9164 -0.0975 -0.0202 -0.0439 63 LEU d C ? ? 1 +37957 O O . LEU X 52 0.4957 0.7886 0.9221 -0.1054 -0.0222 -0.0474 63 LEU d O ? ? 1 +37958 N N . ALA X 53 0.5046 0.7827 0.9128 -0.0913 -0.0205 -0.0444 64 ALA d N ? ? 1 +37959 C CA . ALA X 53 0.5111 0.7864 0.9146 -0.0926 -0.0240 -0.0489 64 ALA d CA ? ? 1 +37960 C CB . ALA X 53 0.5272 0.7854 0.9149 -0.0869 -0.0226 -0.0495 64 ALA d CB ? ? 1 +37961 C C . ALA X 53 0.4939 0.7870 0.9065 -0.0890 -0.0277 -0.0484 64 ALA d C ? ? 1 +37962 O O . ALA X 53 0.4830 0.7848 0.8998 -0.0827 -0.0267 -0.0443 64 ALA d O ? ? 1 +37963 N N . SER X 54 0.4924 0.7909 0.9080 -0.0932 -0.0319 -0.0526 65 SER d N ? ? 1 +37964 C CA . SER X 54 0.4765 0.7918 0.9009 -0.0907 -0.0356 -0.0523 65 SER d CA ? ? 1 +37965 C CB . SER X 54 0.4614 0.7921 0.9012 -0.0954 -0.0361 -0.0511 65 SER d CB ? ? 1 +37966 O OG . SER X 54 0.4681 0.7968 0.9117 -0.1049 -0.0368 -0.0547 65 SER d OG ? ? 1 +37967 C C . SER X 54 0.4807 0.7968 0.9024 -0.0923 -0.0403 -0.0570 65 SER d C ? ? 1 +37968 O O . SER X 54 0.4692 0.7993 0.8991 -0.0923 -0.0440 -0.0576 65 SER d O ? ? 1 +37969 N N . SER X 55 0.4979 0.7982 0.9071 -0.0933 -0.0404 -0.0604 66 SER d N ? ? 1 +37970 C CA . SER X 55 0.5054 0.8045 0.9106 -0.0951 -0.0450 -0.0652 66 SER d CA ? ? 1 +37971 C CB . SER X 55 0.5137 0.8091 0.9213 -0.1054 -0.0468 -0.0702 66 SER d CB ? ? 1 +37972 O OG . SER X 55 0.5278 0.8062 0.9266 -0.1081 -0.0429 -0.0706 66 SER d OG ? ? 1 +37973 C C . SER X 55 0.5198 0.8041 0.9091 -0.0891 -0.0442 -0.0662 66 SER d C ? ? 1 +37974 O O . SER X 55 0.5267 0.7988 0.9075 -0.0856 -0.0401 -0.0641 66 SER d O ? ? 1 +37975 N N . TYR X 56 0.5249 0.8101 0.9099 -0.0880 -0.0483 -0.0695 67 TYR d N ? ? 1 +37976 C CA . TYR X 56 0.5405 0.8117 0.9102 -0.0827 -0.0478 -0.0710 67 TYR d CA ? ? 1 +37977 C CB . TYR X 56 0.5438 0.8187 0.9105 -0.0820 -0.0529 -0.0747 67 TYR d CB ? ? 1 +37978 C CG . TYR X 56 0.5282 0.8197 0.9028 -0.0770 -0.0547 -0.0718 67 TYR d CG ? ? 1 +37979 C CD1 . TYR X 56 0.5209 0.8154 0.8946 -0.0686 -0.0511 -0.0668 67 TYR d CD1 ? ? 1 +37980 C CD2 . TYR X 56 0.5208 0.8251 0.9038 -0.0806 -0.0598 -0.0741 67 TYR d CD2 ? ? 1 +37981 C CE1 . TYR X 56 0.5069 0.8162 0.8878 -0.0643 -0.0524 -0.0642 67 TYR d CE1 ? ? 1 +37982 C CE2 . TYR X 56 0.5072 0.8258 0.8968 -0.0760 -0.0613 -0.0713 67 TYR d CE2 ? ? 1 +37983 C CZ . TYR X 56 0.5011 0.8218 0.8893 -0.0680 -0.0574 -0.0664 67 TYR d CZ ? ? 1 +37984 O OH . TYR X 56 0.4892 0.8236 0.8838 -0.0638 -0.0586 -0.0637 67 TYR d OH ? ? 1 +37985 C C . TYR X 56 0.5602 0.8126 0.9197 -0.0871 -0.0457 -0.0737 67 TYR d C ? ? 1 +37986 O O . TYR X 56 0.5722 0.8108 0.9198 -0.0818 -0.0425 -0.0727 67 TYR d O ? ? 1 +37987 N N . LEU X 57 0.5638 0.8160 0.9286 -0.0967 -0.0475 -0.0773 68 LEU d N ? ? 1 +37988 C CA . LEU X 57 0.5812 0.8159 0.9374 -0.1023 -0.0457 -0.0803 68 LEU d CA ? ? 1 +37989 C CB . LEU X 57 0.5802 0.8203 0.9466 -0.1135 -0.0479 -0.0839 68 LEU d CB ? ? 1 +37990 C CG . LEU X 57 0.5987 0.8215 0.9575 -0.1209 -0.0462 -0.0875 68 LEU d CG ? ? 1 +37991 C CD1 . LEU X 57 0.6175 0.8247 0.9609 -0.1193 -0.0478 -0.0916 68 LEU d CD1 ? ? 1 +37992 C CD2 . LEU X 57 0.5971 0.8277 0.9676 -0.1319 -0.0486 -0.0913 68 LEU d CD2 ? ? 1 +37993 C C . LEU X 57 0.5851 0.8089 0.9359 -0.0992 -0.0397 -0.0762 68 LEU d C ? ? 1 +37994 O O . LEU X 57 0.6028 0.8083 0.9403 -0.0984 -0.0375 -0.0774 68 LEU d O ? ? 1 +37995 N N . GLU X 58 0.5698 0.8043 0.9305 -0.0974 -0.0374 -0.0714 69 GLU d N ? ? 1 +37996 C CA . GLU X 58 0.5728 0.7982 0.9292 -0.0943 -0.0321 -0.0673 69 GLU d CA ? ? 1 +37997 C CB . GLU X 58 0.5562 0.7948 0.9265 -0.0969 -0.0305 -0.0637 69 GLU d CB ? ? 1 +37998 C CG . GLU X 58 0.5556 0.7983 0.9349 -0.1080 -0.0318 -0.0668 69 GLU d CG ? ? 1 +37999 C CD . GLU X 58 0.5378 0.7952 0.9316 -0.1103 -0.0305 -0.0634 69 GLU d CD ? ? 1 +38000 O OE2 . GLU X 58 0.5414 0.7919 0.9345 -0.1132 -0.0264 -0.0615 69 GLU d OE2 ? ? 1 +38001 O OE1 . GLU X 58 0.5209 0.7961 0.9261 -0.1094 -0.0335 -0.0628 69 GLU d OE1 ? ? 1 +38002 C C . GLU X 58 0.5740 0.7951 0.9219 -0.0831 -0.0298 -0.0638 69 GLU d C ? ? 1 +38003 O O . GLU X 58 0.5798 0.7914 0.9220 -0.0795 -0.0257 -0.0607 69 GLU d O ? ? 1 +38004 N N . GLY X 59 0.5695 0.7979 0.9167 -0.0774 -0.0324 -0.0641 70 GLY d N ? ? 1 +38005 C CA . GLY X 59 0.5709 0.7955 0.9101 -0.0670 -0.0303 -0.0614 70 GLY d CA ? ? 1 +38006 C C . GLY X 59 0.5512 0.7935 0.9004 -0.0609 -0.0304 -0.0572 70 GLY d C ? ? 1 +38007 O O . GLY X 59 0.5512 0.7923 0.8955 -0.0523 -0.0284 -0.0547 70 GLY d O ? ? 1 +38008 N N . CYS X 60 0.5351 0.7936 0.8983 -0.0654 -0.0326 -0.0566 71 CYS d N ? ? 1 +38009 C CA . CYS X 60 0.5168 0.7922 0.8897 -0.0606 -0.0331 -0.0530 71 CYS d CA ? ? 1 +38010 C CB . CYS X 60 0.5022 0.7925 0.8902 -0.0669 -0.0348 -0.0523 71 CYS d CB ? ? 1 +38011 S SG . CYS X 60 0.4997 0.7882 0.8932 -0.0703 -0.0308 -0.0491 71 CYS d SG ? ? 1 +38012 C C . CYS X 60 0.5176 0.7970 0.8869 -0.0564 -0.0359 -0.0547 71 CYS d C ? ? 1 +38013 O O . CYS X 60 0.5291 0.8014 0.8915 -0.0594 -0.0386 -0.0592 71 CYS d O ? ? 1 +38014 N N . ASN X 61 0.5049 0.7957 0.8790 -0.0498 -0.0352 -0.0512 72 ASN d N ? ? 1 +38015 C CA . ASN X 61 0.5042 0.8003 0.8758 -0.0455 -0.0374 -0.0521 72 ASN d CA ? ? 1 +38016 C CB . ASN X 61 0.5052 0.7988 0.8707 -0.0358 -0.0338 -0.0492 72 ASN d CB ? ? 1 +38017 C CG . ASN X 61 0.4905 0.7940 0.8652 -0.0321 -0.0309 -0.0441 72 ASN d CG ? ? 1 +38018 O OD1 . ASN X 61 0.4755 0.7940 0.8616 -0.0330 -0.0321 -0.0420 72 ASN d OD1 ? ? 1 +38019 N ND2 . ASN X 61 0.4956 0.7908 0.8655 -0.0277 -0.0271 -0.0421 72 ASN d ND2 ? ? 1 +38020 C C . ASN X 61 0.4875 0.8018 0.8722 -0.0477 -0.0404 -0.0510 72 ASN d C ? ? 1 +38021 O O . ASN X 61 0.4775 0.8000 0.8731 -0.0521 -0.0405 -0.0495 72 ASN d O ? ? 1 +38022 N N . PHE X 62 0.4854 0.8057 0.8687 -0.0442 -0.0426 -0.0516 73 PHE d N ? ? 1 +38023 C CA . PHE X 62 0.4716 0.8081 0.8658 -0.0457 -0.0457 -0.0507 73 PHE d CA ? ? 1 +38024 C CB . PHE X 62 0.4724 0.8122 0.8616 -0.0403 -0.0470 -0.0509 73 PHE d CB ? ? 1 +38025 C CG . PHE X 62 0.4589 0.8149 0.8588 -0.0410 -0.0499 -0.0495 73 PHE d CG ? ? 1 +38026 C CD1 . PHE X 62 0.4569 0.8191 0.8635 -0.0477 -0.0546 -0.0522 73 PHE d CD1 ? ? 1 +38027 C CD2 . PHE X 62 0.4479 0.8129 0.8514 -0.0350 -0.0477 -0.0454 73 PHE d CD2 ? ? 1 +38028 C CE1 . PHE X 62 0.4441 0.8208 0.8601 -0.0479 -0.0573 -0.0509 73 PHE d CE1 ? ? 1 +38029 C CE2 . PHE X 62 0.4356 0.8145 0.8483 -0.0356 -0.0502 -0.0440 73 PHE d CE2 ? ? 1 +38030 C CZ . PHE X 62 0.4341 0.8186 0.8528 -0.0419 -0.0551 -0.0467 73 PHE d CZ ? ? 1 +38031 C C . PHE X 62 0.4542 0.8034 0.8611 -0.0448 -0.0436 -0.0460 73 PHE d C ? ? 1 +38032 O O . PHE X 62 0.4450 0.8059 0.8628 -0.0491 -0.0461 -0.0458 73 PHE d O ? ? 1 +38033 N N . LEU X 63 0.4511 0.7980 0.8564 -0.0391 -0.0392 -0.0424 74 LEU d N ? ? 1 +38034 C CA . LEU X 63 0.4349 0.7930 0.8513 -0.0378 -0.0371 -0.0380 74 LEU d CA ? ? 1 +38035 C CB . LEU X 63 0.4343 0.7905 0.8471 -0.0295 -0.0329 -0.0346 74 LEU d CB ? ? 1 +38036 C CG . LEU X 63 0.4359 0.7935 0.8431 -0.0231 -0.0325 -0.0345 74 LEU d CG ? ? 1 +38037 C CD1 . LEU X 63 0.4351 0.7916 0.8402 -0.0156 -0.0281 -0.0313 74 LEU d CD1 ? ? 1 +38038 C CD2 . LEU X 63 0.4237 0.7956 0.8392 -0.0235 -0.0348 -0.0334 74 LEU d CD2 ? ? 1 +38039 C C . LEU X 63 0.4321 0.7895 0.8548 -0.0435 -0.0363 -0.0375 74 LEU d C ? ? 1 +38040 O O . LEU X 63 0.4193 0.7882 0.8532 -0.0448 -0.0362 -0.0349 74 LEU d O ? ? 1 +38041 N N . THR X 64 0.4455 0.7891 0.8607 -0.0467 -0.0355 -0.0399 75 THR d N ? ? 1 +38042 C CA . THR X 64 0.4446 0.7856 0.8641 -0.0516 -0.0338 -0.0391 75 THR d CA ? ? 1 +38043 C CB . THR X 64 0.4568 0.7824 0.8660 -0.0485 -0.0301 -0.0383 75 THR d CB ? ? 1 +38044 O OG1 . THR X 64 0.4742 0.7858 0.8712 -0.0492 -0.0308 -0.0421 75 THR d OG1 ? ? 1 +38045 C CG2 . THR X 64 0.4526 0.7802 0.8603 -0.0394 -0.0271 -0.0344 75 THR d CG2 ? ? 1 +38046 C C . THR X 64 0.4478 0.7887 0.8713 -0.0609 -0.0366 -0.0427 75 THR d C ? ? 1 +38047 O O . THR X 64 0.4470 0.7879 0.8758 -0.0656 -0.0351 -0.0419 75 THR d O ? ? 1 +38048 N N . VAL X 65 0.4527 0.7936 0.8738 -0.0637 -0.0405 -0.0467 76 VAL d N ? ? 1 +38049 C CA . VAL X 65 0.4544 0.7974 0.8809 -0.0725 -0.0435 -0.0504 76 VAL d CA ? ? 1 +38050 C CB . VAL X 65 0.4650 0.8046 0.8857 -0.0749 -0.0480 -0.0555 76 VAL d CB ? ? 1 +38051 C CG1 . VAL X 65 0.4840 0.8053 0.8894 -0.0732 -0.0466 -0.0579 76 VAL d CG1 ? ? 1 +38052 C CG2 . VAL X 65 0.4571 0.8078 0.8800 -0.0703 -0.0510 -0.0550 76 VAL d CG2 ? ? 1 +38053 C C . VAL X 65 0.4360 0.7963 0.8776 -0.0752 -0.0450 -0.0487 76 VAL d C ? ? 1 +38054 O O . VAL X 65 0.4264 0.7976 0.8730 -0.0703 -0.0454 -0.0458 76 VAL d O ? ? 1 +38055 N N . ALA X 66 0.4337 0.7964 0.8826 -0.0831 -0.0457 -0.0505 77 ALA d N ? ? 1 +38056 C CA . ALA X 66 0.4176 0.7965 0.8809 -0.0864 -0.0477 -0.0498 77 ALA d CA ? ? 1 +38057 C CB . ALA X 66 0.4059 0.7901 0.8758 -0.0844 -0.0439 -0.0449 77 ALA d CB ? ? 1 +38058 C C . ALA X 66 0.4212 0.8004 0.8897 -0.0958 -0.0498 -0.0541 77 ALA d C ? ? 1 +38059 O O . ALA X 66 0.4343 0.8007 0.8958 -0.0998 -0.0487 -0.0568 77 ALA d O ? ? 1 +38060 N N . VAL X 67 0.4092 0.8034 0.8902 -0.0990 -0.0529 -0.0548 78 VAL d N ? ? 1 +38061 C CA . VAL X 67 0.4084 0.8069 0.8988 -0.1076 -0.0533 -0.0573 78 VAL d CA ? ? 1 +38062 C CB . VAL X 67 0.4043 0.8148 0.9032 -0.1113 -0.0592 -0.0612 78 VAL d CB ? ? 1 +38063 C CG1 . VAL X 67 0.4018 0.8186 0.9122 -0.1202 -0.0593 -0.0637 78 VAL d CG1 ? ? 1 +38064 C CG2 . VAL X 67 0.4177 0.8203 0.9066 -0.1113 -0.0631 -0.0657 78 VAL d CG2 ? ? 1 +38065 C C . VAL X 67 0.3957 0.8015 0.8948 -0.1069 -0.0496 -0.0527 78 VAL d C ? ? 1 +38066 O O . VAL X 67 0.3826 0.8019 0.8902 -0.1040 -0.0509 -0.0503 78 VAL d O ? ? 1 +38067 N N . SER X 68 0.4021 0.7984 0.8984 -0.1096 -0.0450 -0.0514 79 SER d N ? ? 1 +38068 C CA . SER X 68 0.3926 0.7935 0.8952 -0.1088 -0.0411 -0.0471 79 SER d CA ? ? 1 +38069 C CB . SER X 68 0.4025 0.7878 0.8955 -0.1082 -0.0361 -0.0451 79 SER d CB ? ? 1 +38070 O OG . SER X 68 0.4102 0.7849 0.8906 -0.1015 -0.0356 -0.0442 79 SER d OG ? ? 1 +38071 C C . SER X 68 0.3861 0.7982 0.9023 -0.1160 -0.0415 -0.0483 79 SER d C ? ? 1 +38072 O O . SER X 68 0.3925 0.8053 0.9122 -0.1230 -0.0436 -0.0527 79 SER d O ? ? 1 +38073 N N . THR X 69 0.3746 0.7955 0.8986 -0.1141 -0.0393 -0.0443 80 THR d N ? ? 1 +38074 C CA . THR X 69 0.3663 0.7983 0.9034 -0.1199 -0.0390 -0.0447 80 THR d CA ? ? 1 +38075 C CB . THR X 69 0.3521 0.7926 0.8951 -0.1155 -0.0367 -0.0397 80 THR d CB ? ? 1 +38076 O OG1 . THR X 69 0.3567 0.7853 0.8902 -0.1116 -0.0323 -0.0362 80 THR d OG1 ? ? 1 +38077 C CG2 . THR X 69 0.3405 0.7922 0.8869 -0.1092 -0.0401 -0.0381 80 THR d CG2 ? ? 1 +38078 C C . THR X 69 0.3777 0.8003 0.9137 -0.1278 -0.0356 -0.0468 80 THR d C ? ? 1 +38079 O O . THR X 69 0.3897 0.7967 0.9143 -0.1275 -0.0327 -0.0464 80 THR d O ? ? 1 +38080 N N . PRO X 70 0.3760 0.8075 0.9235 -0.1351 -0.0358 -0.0491 81 PRO d N ? ? 1 +38081 C CA . PRO X 70 0.3870 0.8099 0.9340 -0.1429 -0.0319 -0.0507 81 PRO d CA ? ? 1 +38082 C CB . PRO X 70 0.3791 0.8169 0.9414 -0.1498 -0.0338 -0.0539 81 PRO d CB ? ? 1 +38083 C CG . PRO X 70 0.3692 0.8203 0.9372 -0.1460 -0.0400 -0.0552 81 PRO d CG ? ? 1 +38084 C CD . PRO X 70 0.3635 0.8131 0.9246 -0.1363 -0.0399 -0.0506 81 PRO d CD ? ? 1 +38085 C C . PRO X 70 0.3881 0.8036 0.9310 -0.1410 -0.0260 -0.0460 81 PRO d C ? ? 1 +38086 O O . PRO X 70 0.3782 0.7976 0.9208 -0.1341 -0.0253 -0.0416 81 PRO d O ? ? 1 +38087 N N . ALA X 71 0.4008 0.8051 0.9400 -0.1474 -0.0219 -0.0470 82 ALA d N ? ? 1 +38088 C CA . ALA X 71 0.4038 0.8003 0.9389 -0.1466 -0.0162 -0.0429 82 ALA d CA ? ? 1 +38089 C CB . ALA X 71 0.4202 0.8019 0.9491 -0.1540 -0.0121 -0.0449 82 ALA d CB ? ? 1 +38090 C C . ALA X 71 0.3903 0.8018 0.9383 -0.1471 -0.0151 -0.0406 82 ALA d C ? ? 1 +38091 O O . ALA X 71 0.3836 0.8092 0.9442 -0.1512 -0.0176 -0.0432 82 ALA d O ? ? 1 +38092 N N . ASN X 72 0.3879 0.7964 0.9324 -0.1422 -0.0117 -0.0357 83 ASN d N ? ? 1 +38093 C CA . ASN X 72 0.3744 0.7953 0.9294 -0.1420 -0.0102 -0.0330 83 ASN d CA ? ? 1 +38094 C CB . ASN X 72 0.3723 0.7859 0.9197 -0.1360 -0.0066 -0.0277 83 ASN d CB ? ? 1 +38095 C CG . ASN X 72 0.3577 0.7838 0.9150 -0.1349 -0.0054 -0.0248 83 ASN d CG ? ? 1 +38096 O OD1 . ASN X 72 0.3431 0.7835 0.9088 -0.1312 -0.0086 -0.0240 83 ASN d OD1 ? ? 1 +38097 N ND2 . ASN X 72 0.3619 0.7824 0.9178 -0.1379 -0.0005 -0.0231 83 ASN d ND2 ? ? 1 +38098 C C . ASN X 72 0.3778 0.8023 0.9415 -0.1514 -0.0074 -0.0354 83 ASN d C ? ? 1 +38099 O O . ASN X 72 0.3662 0.8053 0.9423 -0.1528 -0.0079 -0.0352 83 ASN d O ? ? 1 +38100 N N . SER X 73 0.3952 0.8064 0.9526 -0.1577 -0.0043 -0.0376 84 SER d N ? ? 1 +38101 C CA . SER X 73 0.4007 0.8141 0.9658 -0.1671 -0.0010 -0.0400 84 SER d CA ? ? 1 +38102 C CB . SER X 73 0.4201 0.8142 0.9739 -0.1725 0.0033 -0.0413 84 SER d CB ? ? 1 +38103 O OG . SER X 73 0.4304 0.8171 0.9779 -0.1735 0.0001 -0.0449 84 SER d OG ? ? 1 +38104 C C . SER X 73 0.3979 0.8266 0.9771 -0.1727 -0.0050 -0.0450 84 SER d C ? ? 1 +38105 O O . SER X 73 0.3984 0.8338 0.9875 -0.1799 -0.0027 -0.0469 84 SER d O ? ? 1 +38106 N N . MET X 74 0.3974 0.8317 0.9773 -0.1693 -0.0110 -0.0471 85 MET d N ? ? 1 +38107 C CA . MET X 74 0.3935 0.8429 0.9863 -0.1733 -0.0157 -0.0517 85 MET d CA ? ? 1 +38108 C CB . MET X 74 0.4010 0.8488 0.9884 -0.1701 -0.0216 -0.0544 85 MET d CB ? ? 1 +38109 C CG . MET X 74 0.4238 0.8537 0.9988 -0.1733 -0.0205 -0.0569 85 MET d CG ? ? 1 +38110 S SD . MET X 74 0.4452 0.8733 1.0266 -0.1863 -0.0187 -0.0628 85 MET d SD ? ? 1 +38111 C CE . MET X 74 0.4631 0.8697 1.0312 -0.1887 -0.0108 -0.0600 85 MET d CE ? ? 1 +38112 C C . MET X 74 0.3732 0.8416 0.9793 -0.1704 -0.0176 -0.0500 85 MET d C ? ? 1 +38113 O O . MET X 74 0.3675 0.8498 0.9855 -0.1734 -0.0214 -0.0536 85 MET d O ? ? 1 +38114 N N . GLY X 75 0.3618 0.8306 0.9657 -0.1641 -0.0153 -0.0447 86 GLY d N ? ? 1 +38115 C CA . GLY X 75 0.3427 0.8281 0.9573 -0.1601 -0.0172 -0.0427 86 GLY d CA ? ? 1 +38116 C C . GLY X 75 0.3340 0.8306 0.9534 -0.1565 -0.0241 -0.0448 86 GLY d C ? ? 1 +38117 O O . GLY X 75 0.3373 0.8273 0.9476 -0.1521 -0.0270 -0.0448 86 GLY d O ? ? 1 +38118 N N . HIS X 76 0.3237 0.8369 0.9571 -0.1583 -0.0267 -0.0467 87 HIS d N ? ? 1 +38119 C CA . HIS X 76 0.3158 0.8405 0.9548 -0.1555 -0.0334 -0.0490 87 HIS d CA ? ? 1 +38120 C CB . HIS X 76 0.2997 0.8399 0.9493 -0.1517 -0.0346 -0.0467 87 HIS d CB ? ? 1 +38121 C CG . HIS X 76 0.2936 0.8304 0.9379 -0.1453 -0.0314 -0.0409 87 HIS d CG ? ? 1 +38122 N ND1 . HIS X 76 0.2915 0.8283 0.9388 -0.1471 -0.0262 -0.0383 87 HIS d ND1 ? ? 1 +38123 C CE1 . HIS X 76 0.2865 0.8200 0.9276 -0.1402 -0.0249 -0.0334 87 HIS d CE1 ? ? 1 +38124 N NE2 . HIS X 76 0.2849 0.8165 0.9196 -0.1343 -0.0287 -0.0328 87 HIS d NE2 ? ? 1 +38125 C CD2 . HIS X 76 0.2900 0.8232 0.9262 -0.1375 -0.0328 -0.0374 87 HIS d CD2 ? ? 1 +38126 C C . HIS X 76 0.3206 0.8500 0.9665 -0.1627 -0.0367 -0.0553 87 HIS d C ? ? 1 +38127 O O . HIS X 76 0.3145 0.8575 0.9699 -0.1624 -0.0416 -0.0579 87 HIS d O ? ? 1 +38128 N N . SER X 77 0.3321 0.8496 0.9725 -0.1690 -0.0340 -0.0579 88 SER d N ? ? 1 +38129 C CA . SER X 77 0.3388 0.8585 0.9839 -0.1759 -0.0372 -0.0641 88 SER d CA ? ? 1 +38130 C CB . SER X 77 0.3558 0.8586 0.9916 -0.1820 -0.0332 -0.0658 88 SER d CB ? ? 1 +38131 O OG . SER X 77 0.3652 0.8687 1.0039 -0.1882 -0.0369 -0.0720 88 SER d OG ? ? 1 +38132 C C . SER X 77 0.3370 0.8605 0.9800 -0.1718 -0.0445 -0.0665 88 SER d C ? ? 1 +38133 O O . SER X 77 0.3378 0.8529 0.9691 -0.1653 -0.0456 -0.0641 88 SER d O ? ? 1 +38134 N N . LEU X 78 0.3334 0.8696 0.9876 -0.1755 -0.0494 -0.0715 89 LEU d N ? ? 1 +38135 C CA . LEU X 78 0.3339 0.8734 0.9862 -0.1726 -0.0567 -0.0746 89 LEU d CA ? ? 1 +38136 C CB . LEU X 78 0.3298 0.8863 0.9974 -0.1767 -0.0615 -0.0796 89 LEU d CB ? ? 1 +38137 C CG . LEU X 78 0.3143 0.8877 0.9948 -0.1737 -0.0622 -0.0775 89 LEU d CG ? ? 1 +38138 C CD1 . LEU X 78 0.3120 0.9014 1.0084 -0.1790 -0.0664 -0.0832 89 LEU d CD1 ? ? 1 +38139 C CD2 . LEU X 78 0.3057 0.8822 0.9815 -0.1640 -0.0657 -0.0738 89 LEU d CD2 ? ? 1 +38140 C C . LEU X 78 0.3496 0.8734 0.9894 -0.1751 -0.0572 -0.0775 89 LEU d C ? ? 1 +38141 O O . LEU X 78 0.3533 0.8744 0.9859 -0.1710 -0.0621 -0.0787 89 LEU d O ? ? 1 +38142 N N . LEU X 79 0.3591 0.8719 0.9958 -0.1818 -0.0519 -0.0783 90 LEU d N ? ? 1 +38143 C CA . LEU X 79 0.3747 0.8713 0.9996 -0.1851 -0.0515 -0.0811 90 LEU d CA ? ? 1 +38144 C CB . LEU X 79 0.3795 0.8611 0.9878 -0.1776 -0.0497 -0.0766 90 LEU d CB ? ? 1 +38145 C CG . LEU X 79 0.3853 0.8535 0.9860 -0.1785 -0.0422 -0.0726 90 LEU d CG ? ? 1 +38146 C CD1 . LEU X 79 0.3865 0.8432 0.9727 -0.1693 -0.0409 -0.0676 90 LEU d CD1 ? ? 1 +38147 C CD2 . LEU X 79 0.4014 0.8568 0.9978 -0.1873 -0.0392 -0.0764 90 LEU d CD2 ? ? 1 +38148 C C . LEU X 79 0.3796 0.8805 1.0067 -0.1877 -0.0586 -0.0873 90 LEU d C ? ? 1 +38149 O O . LEU X 79 0.3877 0.8789 1.0032 -0.1848 -0.0615 -0.0884 90 LEU d O ? ? 1 +38150 N N . LEU X 80 0.3747 0.8901 1.0169 -0.1936 -0.0611 -0.0916 91 LEU d N ? ? 1 +38151 C CA . LEU X 80 0.3796 0.9002 1.0255 -0.1970 -0.0679 -0.0981 91 LEU d CA ? ? 1 +38152 C CB . LEU X 80 0.3723 0.9121 1.0372 -0.2021 -0.0705 -0.1020 91 LEU d CB ? ? 1 +38153 C CG . LEU X 80 0.3554 0.9111 1.0301 -0.1960 -0.0715 -0.0983 91 LEU d CG ? ? 1 +38154 C CD1 . LEU X 80 0.3496 0.9237 1.0431 -0.2013 -0.0741 -0.1027 91 LEU d CD1 ? ? 1 +38155 C CD2 . LEU X 80 0.3498 0.9075 1.0176 -0.1860 -0.0772 -0.0961 91 LEU d CD2 ? ? 1 +38156 C C . LEU X 80 0.3964 0.9006 1.0331 -0.2037 -0.0659 -0.1017 91 LEU d C ? ? 1 +38157 O O . LEU X 80 0.4029 0.8972 1.0368 -0.2084 -0.0591 -0.1002 91 LEU d O ? ? 1 +38158 N N . LEU X 81 0.4038 0.9043 1.0347 -0.2038 -0.0718 -0.1061 92 LEU d N ? ? 1 +38159 C CA . LEU X 81 0.4206 0.9057 1.0425 -0.2101 -0.0707 -0.1100 92 LEU d CA ? ? 1 +38160 C CB . LEU X 81 0.4283 0.9121 1.0445 -0.2086 -0.0786 -0.1149 92 LEU d CB ? ? 1 +38161 C CG . LEU X 81 0.4469 0.9159 1.0547 -0.2156 -0.0787 -0.1200 92 LEU d CG ? ? 1 +38162 C CD1 . LEU X 81 0.4570 0.9050 1.0489 -0.2142 -0.0721 -0.1162 92 LEU d CD1 ? ? 1 +38163 C CD2 . LEU X 81 0.4537 0.9221 1.0555 -0.2130 -0.0867 -0.1244 92 LEU d CD2 ? ? 1 +38164 C C . LEU X 81 0.4245 0.9128 1.0579 -0.2215 -0.0676 -0.1143 92 LEU d C ? ? 1 +38165 O O . LEU X 81 0.4373 0.9109 1.0638 -0.2271 -0.0621 -0.1146 92 LEU d O ? ? 1 +38166 N N . TRP X 82 0.4136 0.9213 1.0644 -0.2247 -0.0709 -0.1174 93 TRP d N ? ? 1 +38167 C CA . TRP X 82 0.4154 0.9297 1.0798 -0.2355 -0.0684 -0.1219 93 TRP d CA ? ? 1 +38168 C CB . TRP X 82 0.4100 0.9436 1.0898 -0.2381 -0.0762 -0.1281 93 TRP d CB ? ? 1 +38169 C CG . TRP X 82 0.3921 0.9431 1.0808 -0.2303 -0.0800 -0.1254 93 TRP d CG ? ? 1 +38170 C CD1 . TRP X 82 0.3788 0.9437 1.0811 -0.2303 -0.0771 -0.1230 93 TRP d CD1 ? ? 1 +38171 N NE1 . TRP X 82 0.3658 0.9429 1.0715 -0.2216 -0.0820 -0.1207 93 TRP d NE1 ? ? 1 +38172 C CE2 . TRP X 82 0.3706 0.9417 1.0648 -0.2158 -0.0881 -0.1213 93 TRP d CE2 ? ? 1 +38173 C CZ2 . TRP X 82 0.3629 0.9409 1.0548 -0.2065 -0.0942 -0.1195 93 TRP d CZ2 ? ? 1 +38174 C CH2 . TRP X 82 0.3714 0.9399 1.0498 -0.2024 -0.0991 -0.1207 93 TRP d CH2 ? ? 1 +38175 C CZ3 . TRP X 82 0.3871 0.9397 1.0546 -0.2072 -0.0982 -0.1238 93 TRP d CZ3 ? ? 1 +38176 C CE3 . TRP X 82 0.3951 0.9404 1.0648 -0.2164 -0.0922 -0.1255 93 TRP d CE3 ? ? 1 +38177 C CD2 . TRP X 82 0.3867 0.9415 1.0700 -0.2209 -0.0870 -0.1243 93 TRP d CD2 ? ? 1 +38178 C C . TRP X 82 0.4057 0.9251 1.0783 -0.2371 -0.0610 -0.1176 93 TRP d C ? ? 1 +38179 O O . TRP X 82 0.4060 0.9336 1.0918 -0.2455 -0.0585 -0.1208 93 TRP d O ? ? 1 +38180 N N . GLY X 83 0.3971 0.9121 1.0622 -0.2290 -0.0577 -0.1105 94 GLY d N ? ? 1 +38181 C CA . GLY X 83 0.3887 0.9074 1.0599 -0.2295 -0.0509 -0.1060 94 GLY d CA ? ? 1 +38182 C C . GLY X 83 0.4012 0.9043 1.0662 -0.2365 -0.0425 -0.1051 94 GLY d C ? ? 1 +38183 O O . GLY X 83 0.4162 0.9045 1.0715 -0.2409 -0.0417 -0.1078 94 GLY d O ? ? 1 +38184 N N . PRO X 84 0.3965 0.9016 1.0661 -0.2374 -0.0358 -0.1012 95 PRO d N ? ? 1 +38185 C CA . PRO X 84 0.4096 0.9006 1.0740 -0.2444 -0.0275 -0.1002 95 PRO d CA ? ? 1 +38186 C CB . PRO X 84 0.3974 0.8995 1.0728 -0.2448 -0.0226 -0.0969 95 PRO d CB ? ? 1 +38187 C CG . PRO X 84 0.3804 0.8949 1.0590 -0.2345 -0.0272 -0.0934 95 PRO d CG ? ? 1 +38188 C CD . PRO X 84 0.3791 0.8998 1.0586 -0.2318 -0.0360 -0.0974 95 PRO d CD ? ? 1 +38189 C C . PRO X 84 0.4231 0.8913 1.0672 -0.2405 -0.0236 -0.0959 95 PRO d C ? ? 1 +38190 O O . PRO X 84 0.4378 0.8912 1.0750 -0.2468 -0.0179 -0.0963 95 PRO d O ? ? 1 +38191 N N . GLU X 85 0.4191 0.8845 1.0538 -0.2300 -0.0267 -0.0918 96 GLU d N ? ? 1 +38192 C CA . GLU X 85 0.4302 0.8754 1.0461 -0.2252 -0.0238 -0.0878 96 GLU d CA ? ? 1 +38193 C CB . GLU X 85 0.4190 0.8672 1.0296 -0.2133 -0.0264 -0.0826 96 GLU d CB ? ? 1 +38194 C CG . GLU X 85 0.4034 0.8650 1.0238 -0.2098 -0.0244 -0.0783 96 GLU d CG ? ? 1 +38195 C CD . GLU X 85 0.3891 0.8728 1.0256 -0.2088 -0.0299 -0.0805 96 GLU d CD ? ? 1 +38196 O OE1 . GLU X 85 0.3913 0.8815 1.0319 -0.2103 -0.0361 -0.0854 96 GLU d OE1 ? ? 1 +38197 O OE2 . GLU X 85 0.3769 0.8712 1.0214 -0.2060 -0.0281 -0.0771 96 GLU d OE2 ? ? 1 +38198 C C . GLU X 85 0.4484 0.8791 1.0530 -0.2278 -0.0261 -0.0919 96 GLU d C ? ? 1 +38199 O O . GLU X 85 0.4645 0.8770 1.0579 -0.2315 -0.0212 -0.0915 96 GLU d O ? ? 1 +38200 N N . ALA X 86 0.4480 0.8859 1.0546 -0.2256 -0.0337 -0.0956 97 ALA d N ? ? 1 +38201 C CA . ALA X 86 0.4645 0.8897 1.0603 -0.2274 -0.0368 -0.0996 97 ALA d CA ? ? 1 +38202 C CB . ALA X 86 0.4585 0.8898 1.0517 -0.2195 -0.0445 -0.1003 97 ALA d CB ? ? 1 +38203 C C . ALA X 86 0.4772 0.9044 1.0812 -0.2390 -0.0377 -0.1068 97 ALA d C ? ? 1 +38204 O O . ALA X 86 0.4950 0.9068 1.0890 -0.2434 -0.0371 -0.1099 97 ALA d O ? ? 1 +38205 N N . GLN X 87 0.4693 0.9157 1.0916 -0.2436 -0.0393 -0.1096 98 GLN d N ? ? 1 +38206 C CA . GLN X 87 0.4786 0.9301 1.1118 -0.2549 -0.0399 -0.1165 98 GLN d CA ? ? 1 +38207 C CB . GLN X 87 0.4943 0.9316 1.1237 -0.2637 -0.0314 -0.1164 98 GLN d CB ? ? 1 +38208 C CG . GLN X 87 0.4887 0.9272 1.1206 -0.2623 -0.0241 -0.1104 98 GLN d CG ? ? 1 +38209 C CD . GLN X 87 0.5064 0.9287 1.1322 -0.2702 -0.0153 -0.1098 98 GLN d CD ? ? 1 +38210 O OE1 . GLN X 87 0.5258 0.9337 1.1444 -0.2772 -0.0138 -0.1135 98 GLN d OE1 ? ? 1 +38211 N NE2 . GLN X 87 0.5020 0.9256 1.1301 -0.2692 -0.0091 -0.1049 98 GLN d NE2 ? ? 1 +38212 C C . GLN X 87 0.4884 0.9363 1.1171 -0.2567 -0.0469 -0.1226 98 GLN d C ? ? 1 +38213 O O . GLN X 87 0.5040 0.9436 1.1315 -0.2657 -0.0457 -0.1275 98 GLN d O ? ? 1 +38214 N N . GLY X 88 0.4813 0.9349 1.1069 -0.2480 -0.0538 -0.1221 99 GLY d N ? ? 1 +38215 C CA . GLY X 88 0.4895 0.9422 1.1118 -0.2488 -0.0613 -0.1279 99 GLY d CA ? ? 1 +38216 C C . GLY X 88 0.5060 0.9360 1.1080 -0.2468 -0.0607 -0.1277 99 GLY d C ? ? 1 +38217 O O . GLY X 88 0.5138 0.9411 1.1109 -0.2468 -0.0667 -0.1323 99 GLY d O ? ? 1 +38218 N N . ASP X 89 0.5121 0.9258 1.1020 -0.2447 -0.0535 -0.1224 100 ASP d N ? ? 1 +38219 C CA . ASP X 89 0.5280 0.9199 1.0983 -0.2420 -0.0526 -0.1219 100 ASP d CA ? ? 1 +38220 C CB . ASP X 89 0.5392 0.9131 1.1003 -0.2454 -0.0437 -0.1186 100 ASP d CB ? ? 1 +38221 C CG . ASP X 89 0.5581 0.9086 1.0992 -0.2436 -0.0426 -0.1188 100 ASP d CG ? ? 1 +38222 O OD1 . ASP X 89 0.5571 0.9034 1.0876 -0.2341 -0.0456 -0.1163 100 ASP d OD1 ? ? 1 +38223 O OD2 . ASP X 89 0.5747 0.9112 1.1106 -0.2516 -0.0386 -0.1214 100 ASP d OD2 ? ? 1 +38224 C C . ASP X 89 0.5199 0.9107 1.0802 -0.2295 -0.0557 -0.1173 100 ASP d C ? ? 1 +38225 O O . ASP X 89 0.5094 0.9013 1.0681 -0.2228 -0.0522 -0.1110 100 ASP d O ? ? 1 +38226 N N . PHE X 90 0.5256 0.9142 1.0792 -0.2266 -0.0622 -0.1208 101 PHE d N ? ? 1 +38227 C CA . PHE X 90 0.5197 0.9085 1.0647 -0.2153 -0.0658 -0.1175 101 PHE d CA ? ? 1 +38228 C CB . PHE X 90 0.5296 0.9162 1.0687 -0.2149 -0.0732 -0.1232 101 PHE d CB ? ? 1 +38229 C CG . PHE X 90 0.5274 0.9117 1.0555 -0.2036 -0.0764 -0.1201 101 PHE d CG ? ? 1 +38230 C CD1 . PHE X 90 0.5121 0.9131 1.0479 -0.1971 -0.0807 -0.1181 101 PHE d CD1 ? ? 1 +38231 C CD2 . PHE X 90 0.5406 0.9055 1.0503 -0.1993 -0.0746 -0.1188 101 PHE d CD2 ? ? 1 +38232 C CE1 . PHE X 90 0.5099 0.9082 1.0353 -0.1870 -0.0830 -0.1150 101 PHE d CE1 ? ? 1 +38233 C CE2 . PHE X 90 0.5377 0.9007 1.0376 -0.1890 -0.0769 -0.1158 101 PHE d CE2 ? ? 1 +38234 C CZ . PHE X 90 0.5222 0.9019 1.0300 -0.1830 -0.0810 -0.1139 101 PHE d CZ ? ? 1 +38235 C C . PHE X 90 0.5252 0.8967 1.0541 -0.2085 -0.0602 -0.1116 101 PHE d C ? ? 1 +38236 O O . PHE X 90 0.5137 0.8889 1.0400 -0.1993 -0.0600 -0.1063 101 PHE d O ? ? 1 +38237 N N . THR X 91 0.5427 0.8950 1.0605 -0.2131 -0.0559 -0.1127 102 THR d N ? ? 1 +38238 C CA . THR X 91 0.5493 0.8837 1.0510 -0.2069 -0.0509 -0.1078 102 THR d CA ? ? 1 +38239 C CB . THR X 91 0.5714 0.8844 1.0607 -0.2131 -0.0478 -0.1109 102 THR d CB ? ? 1 +38240 O OG1 . THR X 91 0.5816 0.8916 1.0664 -0.2148 -0.0538 -0.1168 102 THR d OG1 ? ? 1 +38241 C CG2 . THR X 91 0.5799 0.8738 1.0522 -0.2065 -0.0428 -0.1060 102 THR d CG2 ? ? 1 +38242 C C . THR X 91 0.5376 0.8757 1.0436 -0.2041 -0.0450 -0.1013 102 THR d C ? ? 1 +38243 O O . THR X 91 0.5304 0.8667 1.0300 -0.1948 -0.0437 -0.0959 102 THR d O ? ? 1 +38244 N N . ARG X 92 0.5359 0.8797 1.0532 -0.2122 -0.0414 -0.1019 103 ARG d N ? ? 1 +38245 C CA . ARG X 92 0.5261 0.8734 1.0478 -0.2102 -0.0358 -0.0961 103 ARG d CA ? ? 1 +38246 C CB . ARG X 92 0.5312 0.8824 1.0641 -0.2210 -0.0317 -0.0983 103 ARG d CB ? ? 1 +38247 C CG . ARG X 92 0.5555 0.8867 1.0785 -0.2287 -0.0272 -0.1008 103 ARG d CG ? ? 1 +38248 C CD . ARG X 92 0.5659 0.8786 1.0741 -0.2243 -0.0206 -0.0951 103 ARG d CD ? ? 1 +38249 N NE . ARG X 92 0.5903 0.8821 1.0870 -0.2310 -0.0167 -0.0976 103 ARG d NE ? ? 1 +38250 C CZ . ARG X 92 0.6082 0.8858 1.0921 -0.2304 -0.0191 -0.1006 103 ARG d CZ ? ? 1 +38251 N NH1 . ARG X 92 0.6061 0.8845 1.0835 -0.2216 -0.0242 -0.1001 103 ARG d NH1 ? ? 1 +38252 N NH2 . ARG X 92 0.6290 0.8903 1.1058 -0.2387 -0.0160 -0.1041 103 ARG d NH2 ? ? 1 +38253 C C . ARG X 92 0.5022 0.8680 1.0331 -0.2024 -0.0388 -0.0926 103 ARG d C ? ? 1 +38254 O O . ARG X 92 0.4948 0.8595 1.0223 -0.1955 -0.0356 -0.0866 103 ARG d O ? ? 1 +38255 N N . TRP X 93 0.4905 0.8727 1.0327 -0.2035 -0.0451 -0.0963 104 TRP d N ? ? 1 +38256 C CA . TRP X 93 0.4694 0.8692 1.0202 -0.1964 -0.0488 -0.0936 104 TRP d CA ? ? 1 +38257 C CB . TRP X 93 0.4642 0.8786 1.0257 -0.1995 -0.0562 -0.0994 104 TRP d CB ? ? 1 +38258 C CG . TRP X 93 0.4445 0.8778 1.0162 -0.1936 -0.0605 -0.0976 104 TRP d CG ? ? 1 +38259 C CD1 . TRP X 93 0.4283 0.8759 1.0127 -0.1930 -0.0587 -0.0947 104 TRP d CD1 ? ? 1 +38260 N NE1 . TRP X 93 0.4152 0.8773 1.0056 -0.1869 -0.0642 -0.0940 104 TRP d NE1 ? ? 1 +38261 C CE2 . TRP X 93 0.4225 0.8800 1.0040 -0.1835 -0.0696 -0.0966 104 TRP d CE2 ? ? 1 +38262 C CZ2 . TRP X 93 0.4164 0.8830 0.9983 -0.1771 -0.0759 -0.0969 104 TRP d CZ2 ? ? 1 +38263 C CH2 . TRP X 93 0.4272 0.8850 0.9976 -0.1747 -0.0801 -0.0996 104 TRP d CH2 ? ? 1 +38264 C CZ3 . TRP X 93 0.4439 0.8842 1.0026 -0.1784 -0.0781 -0.1021 104 TRP d CZ3 ? ? 1 +38265 C CE3 . TRP X 93 0.4506 0.8816 1.0088 -0.1848 -0.0719 -0.1018 104 TRP d CE3 ? ? 1 +38266 C CD2 . TRP X 93 0.4399 0.8795 1.0096 -0.1874 -0.0674 -0.0989 104 TRP d CD2 ? ? 1 +38267 C C . TRP X 93 0.4664 0.8600 1.0049 -0.1853 -0.0496 -0.0892 104 TRP d C ? ? 1 +38268 O O . TRP X 93 0.4515 0.8532 0.9932 -0.1787 -0.0487 -0.0842 104 TRP d O ? ? 1 +38269 N N . CYS X 94 0.4804 0.8601 1.0052 -0.1835 -0.0513 -0.0912 105 CYS d N ? ? 1 +38270 C CA . CYS X 94 0.4812 0.8528 0.9930 -0.1735 -0.0514 -0.0874 105 CYS d CA ? ? 1 +38271 C CB . CYS X 94 0.4984 0.8561 0.9969 -0.1733 -0.0542 -0.0914 105 CYS d CB ? ? 1 +38272 S SG . CYS X 94 0.4984 0.8678 1.0016 -0.1738 -0.0633 -0.0973 105 CYS d SG ? ? 1 +38273 C C . CYS X 94 0.4807 0.8423 0.9856 -0.1695 -0.0447 -0.0815 105 CYS d C ? ? 1 +38274 O O . CYS X 94 0.4697 0.8358 0.9736 -0.1613 -0.0441 -0.0766 105 CYS d O ? ? 1 +38275 N N . GLN X 95 0.4934 0.8416 0.9936 -0.1755 -0.0396 -0.0820 106 GLN d N ? ? 1 +38276 C CA . GLN X 95 0.4961 0.8325 0.9881 -0.1722 -0.0333 -0.0768 106 GLN d CA ? ? 1 +38277 C CB . GLN X 95 0.5151 0.8334 0.9990 -0.1798 -0.0287 -0.0788 106 GLN d CB ? ? 1 +38278 C CG . GLN X 95 0.5335 0.8368 1.0052 -0.1815 -0.0308 -0.0833 106 GLN d CG ? ? 1 +38279 C CD . GLN X 95 0.5518 0.8402 1.0189 -0.1911 -0.0268 -0.0863 106 GLN d CD ? ? 1 +38280 O OE1 . GLN X 95 0.5520 0.8471 1.0302 -0.2002 -0.0256 -0.0888 106 GLN d OE1 ? ? 1 +38281 N NE2 . GLN X 95 0.5690 0.8366 1.0195 -0.1894 -0.0246 -0.0864 106 GLN d NE2 ? ? 1 +38282 C C . GLN X 95 0.4800 0.8286 0.9829 -0.1713 -0.0303 -0.0723 106 GLN d C ? ? 1 +38283 O O . GLN X 95 0.4800 0.8219 0.9770 -0.1664 -0.0260 -0.0673 106 GLN d O ? ? 1 +38284 N N . LEU X 96 0.4681 0.8342 0.9868 -0.1759 -0.0326 -0.0743 107 LEU d N ? ? 1 +38285 C CA . LEU X 96 0.4528 0.8310 0.9825 -0.1754 -0.0299 -0.0705 107 LEU d CA ? ? 1 +38286 C CB . LEU X 96 0.4515 0.8404 0.9957 -0.1854 -0.0297 -0.0742 107 LEU d CB ? ? 1 +38287 C CG . LEU X 96 0.4682 0.8438 1.0089 -0.1947 -0.0248 -0.0766 107 LEU d CG ? ? 1 +38288 C CD1 . LEU X 96 0.4644 0.8529 1.0213 -0.2044 -0.0246 -0.0805 107 LEU d CD1 ? ? 1 +38289 C CD2 . LEU X 96 0.4736 0.8362 1.0054 -0.1925 -0.0179 -0.0715 107 LEU d CD2 ? ? 1 +38290 C C . LEU X 96 0.4337 0.8267 0.9690 -0.1670 -0.0334 -0.0674 107 LEU d C ? ? 1 +38291 O O . LEU X 96 0.4205 0.8228 0.9634 -0.1650 -0.0313 -0.0636 107 LEU d O ? ? 1 +38292 N N . GLY X 97 0.4326 0.8269 0.9636 -0.1622 -0.0386 -0.0690 108 GLY d N ? ? 1 +38293 C CA . GLY X 97 0.4176 0.8240 0.9519 -0.1540 -0.0419 -0.0662 108 GLY d CA ? ? 1 +38294 C C . GLY X 97 0.4069 0.8312 0.9542 -0.1560 -0.0477 -0.0694 108 GLY d C ? ? 1 +38295 O O . GLY X 97 0.3939 0.8306 0.9472 -0.1505 -0.0497 -0.0668 108 GLY d O ? ? 1 +38296 N N . GLY X 98 0.4134 0.8387 0.9649 -0.1637 -0.0503 -0.0752 109 GLY d N ? ? 1 +38297 C CA . GLY X 98 0.4043 0.8462 0.9685 -0.1663 -0.0561 -0.0790 109 GLY d CA ? ? 1 +38298 C C . GLY X 98 0.3989 0.8460 0.9597 -0.1591 -0.0620 -0.0793 109 GLY d C ? ? 1 +38299 O O . GLY X 98 0.3870 0.8497 0.9579 -0.1575 -0.0661 -0.0798 109 GLY d O ? ? 1 +38300 N N . LEU X 99 0.4078 0.8414 0.9538 -0.1545 -0.0623 -0.0789 110 LEU d N ? ? 1 +38301 C CA . LEU X 99 0.4044 0.8413 0.9455 -0.1472 -0.0672 -0.0787 110 LEU d CA ? ? 1 +38302 C CB . LEU X 99 0.4186 0.8383 0.9425 -0.1433 -0.0665 -0.0788 110 LEU d CB ? ? 1 +38303 C CG . LEU X 99 0.4358 0.8460 0.9538 -0.1492 -0.0694 -0.0850 110 LEU d CG ? ? 1 +38304 C CD1 . LEU X 99 0.4481 0.8435 0.9494 -0.1437 -0.0696 -0.0849 110 LEU d CD1 ? ? 1 +38305 C CD2 . LEU X 99 0.4341 0.8574 0.9614 -0.1528 -0.0765 -0.0903 110 LEU d CD2 ? ? 1 +38306 C C . LEU X 99 0.3864 0.8342 0.9321 -0.1397 -0.0668 -0.0734 110 LEU d C ? ? 1 +38307 O O . LEU X 99 0.3802 0.8368 0.9275 -0.1353 -0.0716 -0.0737 110 LEU d O ? ? 1 +38308 N N . TRP X 100 0.3779 0.8255 0.9260 -0.1384 -0.0614 -0.0686 111 TRP d N ? ? 1 +38309 C CA . TRP X 100 0.3622 0.8199 0.9149 -0.1317 -0.0608 -0.0637 111 TRP d CA ? ? 1 +38310 C CB . TRP X 100 0.3581 0.8111 0.9095 -0.1301 -0.0544 -0.0586 111 TRP d CB ? ? 1 +38311 C CG . TRP X 100 0.3443 0.8054 0.8980 -0.1224 -0.0541 -0.0536 111 TRP d CG ? ? 1 +38312 C CD1 . TRP X 100 0.3446 0.8000 0.8887 -0.1146 -0.0532 -0.0503 111 TRP d CD1 ? ? 1 +38313 N NE1 . TRP X 100 0.3306 0.7969 0.8808 -0.1095 -0.0531 -0.0464 111 TRP d NE1 ? ? 1 +38314 C CE2 . TRP X 100 0.3208 0.8000 0.8843 -0.1137 -0.0541 -0.0471 111 TRP d CE2 ? ? 1 +38315 C CZ2 . TRP X 100 0.3060 0.7985 0.8792 -0.1111 -0.0544 -0.0442 111 TRP d CZ2 ? ? 1 +38316 C CH2 . TRP X 100 0.2997 0.8032 0.8855 -0.1163 -0.0554 -0.0459 111 TRP d CH2 ? ? 1 +38317 C CZ3 . TRP X 100 0.3073 0.8092 0.8966 -0.1243 -0.0559 -0.0504 111 TRP d CZ3 ? ? 1 +38318 C CE3 . TRP X 100 0.3220 0.8106 0.9018 -0.1272 -0.0555 -0.0533 111 TRP d CE3 ? ? 1 +38319 C CD2 . TRP X 100 0.3289 0.8055 0.8952 -0.1217 -0.0547 -0.0516 111 TRP d CD2 ? ? 1 +38320 C C . TRP X 100 0.3490 0.8251 0.9165 -0.1334 -0.0645 -0.0647 111 TRP d C ? ? 1 +38321 O O . TRP X 100 0.3401 0.8247 0.9092 -0.1277 -0.0678 -0.0633 111 TRP d O ? ? 1 +38322 N N . THR X 101 0.3476 0.8295 0.9259 -0.1410 -0.0635 -0.0671 112 THR d N ? ? 1 +38323 C CA . THR X 101 0.3360 0.8356 0.9291 -0.1428 -0.0669 -0.0685 112 THR d CA ? ? 1 +38324 C CB . THR X 101 0.3349 0.8392 0.9392 -0.1509 -0.0638 -0.0700 112 THR d CB ? ? 1 +38325 O OG1 . THR X 101 0.3488 0.8436 0.9497 -0.1582 -0.0634 -0.0747 112 THR d OG1 ? ? 1 +38326 C CG2 . THR X 101 0.3292 0.8306 0.9336 -0.1496 -0.0571 -0.0647 112 THR d CG2 ? ? 1 +38327 C C . THR X 101 0.3390 0.8442 0.9332 -0.1432 -0.0742 -0.0734 112 THR d C ? ? 1 +38328 O O . THR X 101 0.3295 0.8474 0.9305 -0.1397 -0.0783 -0.0732 112 THR d O ? ? 1 +38329 N N . PHE X 102 0.3532 0.8480 0.9399 -0.1470 -0.0758 -0.0778 113 PHE d N ? ? 1 +38330 C CA . PHE X 102 0.3592 0.8563 0.9437 -0.1466 -0.0827 -0.0824 113 PHE d CA ? ? 1 +38331 C CB . PHE X 102 0.3761 0.8576 0.9492 -0.1504 -0.0828 -0.0863 113 PHE d CB ? ? 1 +38332 C CG . PHE X 102 0.3843 0.8671 0.9550 -0.1512 -0.0901 -0.0919 113 PHE d CG ? ? 1 +38333 C CD1 . PHE X 102 0.3868 0.8783 0.9683 -0.1587 -0.0941 -0.0978 113 PHE d CD1 ? ? 1 +38334 C CD2 . PHE X 102 0.3897 0.8653 0.9475 -0.1447 -0.0929 -0.0915 113 PHE d CD2 ? ? 1 +38335 C CE1 . PHE X 102 0.3947 0.8874 0.9738 -0.1594 -0.1011 -0.1032 113 PHE d CE1 ? ? 1 +38336 C CE2 . PHE X 102 0.3982 0.8745 0.9530 -0.1453 -0.0997 -0.0967 113 PHE d CE2 ? ? 1 +38337 C CZ . PHE X 102 0.4009 0.8858 0.9664 -0.1526 -0.1040 -0.1026 113 PHE d CZ ? ? 1 +38338 C C . PHE X 102 0.3547 0.8545 0.9333 -0.1373 -0.0858 -0.0795 113 PHE d C ? ? 1 +38339 O O . PHE X 102 0.3478 0.8598 0.9329 -0.1352 -0.0909 -0.0807 113 PHE d O ? ? 1 +38340 N N . ILE X 103 0.3585 0.8468 0.9246 -0.1315 -0.0822 -0.0754 114 ILE d N ? ? 1 +38341 C CA . ILE X 103 0.3549 0.8444 0.9145 -0.1228 -0.0842 -0.0725 114 ILE d CA ? ? 1 +38342 C CB . ILE X 103 0.3619 0.8364 0.9069 -0.1177 -0.0799 -0.0691 114 ILE d CB ? ? 1 +38343 C CG1 . ILE X 103 0.3798 0.8397 0.9133 -0.1206 -0.0808 -0.0734 114 ILE d CG1 ? ? 1 +38344 C CG2 . ILE X 103 0.3562 0.8331 0.8957 -0.1087 -0.0810 -0.0655 114 ILE d CG2 ? ? 1 +38345 C CD1 . ILE X 103 0.3873 0.8315 0.9079 -0.1171 -0.0755 -0.0704 114 ILE d CD1 ? ? 1 +38346 C C . ILE X 103 0.3388 0.8425 0.9085 -0.1190 -0.0842 -0.0686 114 ILE d C ? ? 1 +38347 O O . ILE X 103 0.3351 0.8471 0.9065 -0.1151 -0.0888 -0.0688 114 ILE d O ? ? 1 +38348 N N . ALA X 104 0.3307 0.8368 0.9067 -0.1202 -0.0790 -0.0650 115 ALA d N ? ? 1 +38349 C CA . ALA X 104 0.3160 0.8345 0.9008 -0.1164 -0.0785 -0.0611 115 ALA d CA ? ? 1 +38350 C CB . ALA X 104 0.3096 0.8276 0.8992 -0.1183 -0.0723 -0.0575 115 ALA d CB ? ? 1 +38351 C C . ALA X 104 0.3101 0.8438 0.9071 -0.1185 -0.0838 -0.0640 115 ALA d C ? ? 1 +38352 O O . ALA X 104 0.3021 0.8443 0.9015 -0.1133 -0.0866 -0.0622 115 ALA d O ? ? 1 +38353 N N . LEU X 105 0.3148 0.8518 0.9196 -0.1261 -0.0852 -0.0687 116 LEU d N ? ? 1 +38354 C CA . LEU X 105 0.3094 0.8615 0.9272 -0.1285 -0.0901 -0.0719 116 LEU d CA ? ? 1 +38355 C CB . LEU X 105 0.3130 0.8678 0.9406 -0.1378 -0.0886 -0.0758 116 LEU d CB ? ? 1 +38356 C CG . LEU X 105 0.3072 0.8617 0.9400 -0.1403 -0.0816 -0.0723 116 LEU d CG ? ? 1 +38357 C CD1 . LEU X 105 0.3138 0.8673 0.9533 -0.1499 -0.0793 -0.0763 116 LEU d CD1 ? ? 1 +38358 C CD2 . LEU X 105 0.2923 0.8609 0.9360 -0.1371 -0.0814 -0.0692 116 LEU d CD2 ? ? 1 +38359 C C . LEU X 105 0.3149 0.8696 0.9291 -0.1261 -0.0975 -0.0756 116 LEU d C ? ? 1 +38360 O O . LEU X 105 0.3079 0.8742 0.9283 -0.1228 -0.1017 -0.0755 116 LEU d O ? ? 1 +38361 N N . HIS X 106 0.3286 0.8720 0.9322 -0.1275 -0.0992 -0.0788 117 HIS d N ? ? 1 +38362 C CA . HIS X 106 0.3355 0.8796 0.9336 -0.1246 -0.1062 -0.0821 117 HIS d CA ? ? 1 +38363 C CB . HIS X 106 0.3509 0.8820 0.9385 -0.1280 -0.1076 -0.0865 117 HIS d CB ? ? 1 +38364 C CG . HIS X 106 0.3564 0.8896 0.9523 -0.1374 -0.1087 -0.0922 117 HIS d CG ? ? 1 +38365 N ND1 . HIS X 106 0.3612 0.9015 0.9620 -0.1403 -0.1159 -0.0981 117 HIS d ND1 ? ? 1 +38366 C CE1 . HIS X 106 0.3650 0.9057 0.9732 -0.1490 -0.1147 -0.1021 117 HIS d CE1 ? ? 1 +38367 N NE2 . HIS X 106 0.3634 0.8972 0.9713 -0.1517 -0.1072 -0.0990 117 HIS d NE2 ? ? 1 +38368 C CD2 . HIS X 106 0.3577 0.8870 0.9581 -0.1442 -0.1036 -0.0927 117 HIS d CD2 ? ? 1 +38369 C C . HIS X 106 0.3324 0.8756 0.9223 -0.1153 -0.1065 -0.0774 117 HIS d C ? ? 1 +38370 O O . HIS X 106 0.3309 0.8815 0.9217 -0.1115 -0.1119 -0.0782 117 HIS d O ? ? 1 +38371 N N . GLY X 107 0.3323 0.8664 0.9142 -0.1117 -0.1007 -0.0725 118 GLY d N ? ? 1 +38372 C CA . GLY X 107 0.3282 0.8620 0.9036 -0.1034 -0.1000 -0.0677 118 GLY d CA ? ? 1 +38373 C C . GLY X 107 0.3158 0.8641 0.9020 -0.1006 -0.1015 -0.0653 118 GLY d C ? ? 1 +38374 O O . GLY X 107 0.3145 0.8663 0.8974 -0.0950 -0.1049 -0.0641 118 GLY d O ? ? 1 +38375 N N . ALA X 108 0.3080 0.8643 0.9066 -0.1047 -0.0990 -0.0646 119 ALA d N ? ? 1 +38376 C CA . ALA X 108 0.2961 0.8660 0.9056 -0.1024 -0.1000 -0.0624 119 ALA d CA ? ? 1 +38377 C CB . ALA X 108 0.2878 0.8636 0.9092 -0.1074 -0.0958 -0.0616 119 ALA d CB ? ? 1 +38378 C C . ALA X 108 0.2990 0.8787 0.9134 -0.1021 -0.1075 -0.0663 119 ALA d C ? ? 1 +38379 O O . ALA X 108 0.2946 0.8797 0.9083 -0.0963 -0.1101 -0.0642 119 ALA d O ? ? 1 +38380 N N . PHE X 109 0.3081 0.8899 0.9272 -0.1081 -0.1111 -0.0721 120 PHE d N ? ? 1 +38381 C CA . PHE X 109 0.3117 0.9030 0.9357 -0.1080 -0.1188 -0.0765 120 PHE d CA ? ? 1 +38382 C CB . PHE X 109 0.3209 0.9155 0.9530 -0.1163 -0.1213 -0.0828 120 PHE d CB ? ? 1 +38383 C CG . PHE X 109 0.3152 0.9207 0.9632 -0.1211 -0.1185 -0.0828 120 PHE d CG ? ? 1 +38384 C CD1 . PHE X 109 0.3074 0.9279 0.9672 -0.1193 -0.1217 -0.0829 120 PHE d CD1 ? ? 1 +38385 C CD2 . PHE X 109 0.3182 0.9185 0.9687 -0.1271 -0.1122 -0.0824 120 PHE d CD2 ? ? 1 +38386 C CE1 . PHE X 109 0.3001 0.9305 0.9743 -0.1235 -0.1186 -0.0828 120 PHE d CE1 ? ? 1 +38387 C CE2 . PHE X 109 0.3107 0.9207 0.9753 -0.1315 -0.1091 -0.0822 120 PHE d CE2 ? ? 1 +38388 C CZ . PHE X 109 0.3016 0.9268 0.9781 -0.1297 -0.1122 -0.0825 120 PHE d CZ ? ? 1 +38389 C C . PHE X 109 0.3192 0.9042 0.9299 -0.1023 -0.1235 -0.0771 120 PHE d C ? ? 1 +38390 O O . PHE X 109 0.3178 0.9104 0.9301 -0.0987 -0.1292 -0.0781 120 PHE d O ? ? 1 +38391 N N . GLY X 110 0.3269 0.8976 0.9241 -0.1015 -0.1211 -0.0765 121 GLY d N ? ? 1 +38392 C CA . GLY X 110 0.3340 0.8971 0.9170 -0.0956 -0.1242 -0.0763 121 GLY d CA ? ? 1 +38393 C C . GLY X 110 0.3247 0.8909 0.9047 -0.0878 -0.1235 -0.0710 121 GLY d C ? ? 1 +38394 O O . GLY X 110 0.3281 0.8952 0.9022 -0.0831 -0.1284 -0.0717 121 GLY d O ? ? 1 +38395 N N . LEU X 111 0.3130 0.8805 0.8969 -0.0865 -0.1173 -0.0659 122 LEU d N ? ? 1 +38396 C CA . LEU X 111 0.3041 0.8747 0.8863 -0.0798 -0.1159 -0.0607 122 LEU d CA ? ? 1 +38397 C CB . LEU X 111 0.2949 0.8640 0.8799 -0.0796 -0.1084 -0.0557 122 LEU d CB ? ? 1 +38398 C CG . LEU X 111 0.3014 0.8566 0.8746 -0.0783 -0.1031 -0.0536 122 LEU d CG ? ? 1 +38399 C CD1 . LEU X 111 0.2922 0.8472 0.8696 -0.0783 -0.0964 -0.0490 122 LEU d CD1 ? ? 1 +38400 C CD2 . LEU X 111 0.3065 0.8552 0.8668 -0.0715 -0.1036 -0.0515 122 LEU d CD2 ? ? 1 +38401 C C . LEU X 111 0.2960 0.8801 0.8880 -0.0783 -0.1207 -0.0612 122 LEU d C ? ? 1 +38402 O O . LEU X 111 0.2940 0.8796 0.8811 -0.0724 -0.1231 -0.0593 122 LEU d O ? ? 1 +38403 N N . ILE X 112 0.2910 0.8850 0.8967 -0.0836 -0.1221 -0.0641 123 ILE d N ? ? 1 +38404 C CA . ILE X 112 0.2844 0.8917 0.9003 -0.0828 -0.1275 -0.0658 123 ILE d CA ? ? 1 +38405 C CB . ILE X 112 0.2809 0.8977 0.9122 -0.0898 -0.1272 -0.0689 123 ILE d CB ? ? 1 +38406 C CG1 . ILE X 112 0.2711 0.8891 0.9089 -0.0913 -0.1198 -0.0646 123 ILE d CG1 ? ? 1 +38407 C CG2 . ILE X 112 0.2783 0.9094 0.9206 -0.0893 -0.1338 -0.0720 123 ILE d CG2 ? ? 1 +38408 C CD1 . ILE X 112 0.2682 0.8936 0.9198 -0.0987 -0.1183 -0.0675 123 ILE d CD1 ? ? 1 +38409 C C . ILE X 112 0.2924 0.8989 0.9012 -0.0802 -0.1352 -0.0696 123 ILE d C ? ? 1 +38410 O O . ILE X 112 0.2898 0.9009 0.8972 -0.0748 -0.1389 -0.0684 123 ILE d O ? ? 1 +38411 N N . GLY X 113 0.3024 0.9022 0.9061 -0.0841 -0.1373 -0.0742 124 GLY d N ? ? 1 +38412 C CA . GLY X 113 0.3133 0.9107 0.9089 -0.0821 -0.1446 -0.0783 124 GLY d CA ? ? 1 +38413 C C . GLY X 113 0.3175 0.9072 0.8983 -0.0742 -0.1451 -0.0748 124 GLY d C ? ? 1 +38414 O O . GLY X 113 0.3209 0.9142 0.8987 -0.0700 -0.1512 -0.0760 124 GLY d O ? ? 1 +38415 N N A PHE X 114 0.3170 0.8965 0.8887 -0.0720 -0.1386 -0.0704 125 PHE d N ? ? 1 +38416 N N B PHE X 114 0.3173 0.8968 0.8890 -0.0720 -0.1385 -0.0704 125 PHE d N ? ? 1 +38417 C CA A PHE X 114 0.3212 0.8928 0.8787 -0.0649 -0.1379 -0.0670 125 PHE d CA ? ? 1 +38418 C CA B PHE X 114 0.3215 0.8931 0.8791 -0.0649 -0.1379 -0.0670 125 PHE d CA ? ? 1 +38419 C C A PHE X 114 0.3125 0.8922 0.8737 -0.0596 -0.1386 -0.0631 125 PHE d C ? ? 1 +38420 C C B PHE X 114 0.3126 0.8922 0.8738 -0.0596 -0.1386 -0.0630 125 PHE d C ? ? 1 +38421 O O A PHE X 114 0.3179 0.8960 0.8707 -0.0543 -0.1424 -0.0627 125 PHE d O ? ? 1 +38422 O O B PHE X 114 0.3178 0.8956 0.8703 -0.0542 -0.1422 -0.0625 125 PHE d O ? ? 1 +38423 C CB A PHE X 114 0.3215 0.8817 0.8704 -0.0639 -0.1304 -0.0632 125 PHE d CB ? ? 1 +38424 C CB B PHE X 114 0.3224 0.8825 0.8713 -0.0640 -0.1304 -0.0633 125 PHE d CB ? ? 1 +38425 C CG A PHE X 114 0.3291 0.8797 0.8622 -0.0574 -0.1299 -0.0609 125 PHE d CG ? ? 1 +38426 C CG B PHE X 114 0.3301 0.8811 0.8634 -0.0573 -0.1300 -0.0609 125 PHE d CG ? ? 1 +38427 C CD1 A PHE X 114 0.3436 0.8848 0.8643 -0.0569 -0.1332 -0.0645 125 PHE d CD1 ? ? 1 +38428 C CD1 B PHE X 114 0.3451 0.8867 0.8658 -0.0566 -0.1334 -0.0643 125 PHE d CD1 ? ? 1 +38429 C CD2 A PHE X 114 0.3224 0.8734 0.8528 -0.0519 -0.1262 -0.0553 125 PHE d CD2 ? ? 1 +38430 C CD2 B PHE X 114 0.3233 0.8752 0.8545 -0.0519 -0.1265 -0.0553 125 PHE d CD2 ? ? 1 +38431 C CE1 A PHE X 114 0.3516 0.8839 0.8574 -0.0509 -0.1325 -0.0624 125 PHE d CE1 ? ? 1 +38432 C CE1 B PHE X 114 0.3530 0.8862 0.8591 -0.0504 -0.1328 -0.0621 125 PHE d CE1 ? ? 1 +38433 C CE2 A PHE X 114 0.3302 0.8725 0.8461 -0.0462 -0.1254 -0.0533 125 PHE d CE2 ? ? 1 +38434 C CE2 B PHE X 114 0.3311 0.8748 0.8481 -0.0460 -0.1258 -0.0532 125 PHE d CE2 ? ? 1 +38435 C CZ A PHE X 114 0.3447 0.8776 0.8483 -0.0456 -0.1284 -0.0568 125 PHE d CZ ? ? 1 +38436 C CZ B PHE X 114 0.3457 0.8801 0.8501 -0.0452 -0.1289 -0.0565 125 PHE d CZ ? ? 1 +38437 N N . MET X 115 0.2998 0.8877 0.8732 -0.0611 -0.1349 -0.0603 126 MET d N ? ? 1 +38438 C CA . MET X 115 0.2926 0.8884 0.8705 -0.0566 -0.1355 -0.0568 126 MET d CA ? ? 1 +38439 C CB . MET X 115 0.2806 0.8829 0.8705 -0.0588 -0.1298 -0.0534 126 MET d CB ? ? 1 +38440 C CG . MET X 115 0.2739 0.8824 0.8668 -0.0538 -0.1293 -0.0491 126 MET d CG ? ? 1 +38441 S SD . MET X 115 0.2631 0.8752 0.8654 -0.0553 -0.1214 -0.0442 126 MET d SD ? ? 1 +38442 C CE . MET X 115 0.2564 0.8760 0.8618 -0.0495 -0.1229 -0.0406 126 MET d CE ? ? 1 +38443 C C . MET X 115 0.2950 0.9003 0.8782 -0.0556 -0.1436 -0.0604 126 MET d C ? ? 1 +38444 O O . MET X 115 0.2961 0.9030 0.8751 -0.0498 -0.1461 -0.0583 126 MET d O ? ? 1 +38445 N N . LEU X 116 0.2964 0.9077 0.8885 -0.0610 -0.1477 -0.0660 127 LEU d N ? ? 1 +38446 C CA . LEU X 116 0.2995 0.9198 0.8964 -0.0601 -0.1561 -0.0701 127 LEU d CA ? ? 1 +38447 C CB . LEU X 116 0.2996 0.9281 0.9095 -0.0674 -0.1592 -0.0761 127 LEU d CB ? ? 1 +38448 C CG . LEU X 116 0.2861 0.9252 0.9128 -0.0717 -0.1553 -0.0752 127 LEU d CG ? ? 1 +38449 C CD1 . LEU X 116 0.2878 0.9322 0.9253 -0.0797 -0.1569 -0.0811 127 LEU d CD1 ? ? 1 +38450 C CD2 . LEU X 116 0.2779 0.9287 0.9131 -0.0676 -0.1580 -0.0737 127 LEU d CD2 ? ? 1 +38451 C C . LEU X 116 0.3136 0.9259 0.8953 -0.0555 -0.1615 -0.0719 127 LEU d C ? ? 1 +38452 O O . LEU X 116 0.3159 0.9327 0.8961 -0.0509 -0.1673 -0.0724 127 LEU d O ? ? 1 +38453 N N . ARG X 117 0.3240 0.9241 0.8939 -0.0567 -0.1597 -0.0728 128 ARG d N ? ? 1 +38454 C CA . ARG X 117 0.3391 0.9296 0.8926 -0.0522 -0.1636 -0.0740 128 ARG d CA ? ? 1 +38455 C CB . ARG X 117 0.3485 0.9256 0.8912 -0.0547 -0.1601 -0.0749 128 ARG d CB ? ? 1 +38456 C CG . ARG X 117 0.3638 0.9294 0.8881 -0.0500 -0.1630 -0.0758 128 ARG d CG ? ? 1 +38457 C CD . ARG X 117 0.3715 0.9240 0.8860 -0.0524 -0.1584 -0.0763 128 ARG d CD ? ? 1 +38458 N NE . ARG X 117 0.3876 0.9289 0.8847 -0.0486 -0.1615 -0.0781 128 ARG d NE ? ? 1 +38459 C CZ . ARG X 117 0.4012 0.9401 0.8939 -0.0505 -0.1683 -0.0841 128 ARG d CZ ? ? 1 +38460 N NH1 . ARG X 117 0.4009 0.9490 0.9058 -0.0560 -0.1735 -0.0892 128 ARG d NH1 ? ? 1 +38461 N NH2 . ARG X 117 0.4155 0.9429 0.8911 -0.0467 -0.1700 -0.0850 128 ARG d NH2 ? ? 1 +38462 C C . ARG X 117 0.3401 0.9269 0.8837 -0.0444 -0.1623 -0.0686 128 ARG d C ? ? 1 +38463 O O . ARG X 117 0.3501 0.9350 0.8849 -0.0398 -0.1680 -0.0698 128 ARG d O ? ? 1 +38464 N N A GLN X 118 0.3305 0.9159 0.8754 -0.0431 -0.1548 -0.0629 129 GLN d N ? ? 1 +38465 N N B GLN X 118 0.3309 0.9161 0.8756 -0.0431 -0.1547 -0.0629 129 GLN d N ? ? 1 +38466 C CA A GLN X 118 0.3297 0.9120 0.8664 -0.0363 -0.1526 -0.0576 129 GLN d CA ? ? 1 +38467 C CA B GLN X 118 0.3303 0.9126 0.8671 -0.0364 -0.1526 -0.0576 129 GLN d CA ? ? 1 +38468 C C A GLN X 118 0.3268 0.9192 0.8699 -0.0330 -0.1578 -0.0574 129 GLN d C ? ? 1 +38469 C C B GLN X 118 0.3272 0.9196 0.8703 -0.0331 -0.1578 -0.0574 129 GLN d C ? ? 1 +38470 O O A GLN X 118 0.3336 0.9225 0.8665 -0.0272 -0.1608 -0.0561 129 GLN d O ? ? 1 +38471 O O B GLN X 118 0.3342 0.9232 0.8672 -0.0272 -0.1608 -0.0561 129 GLN d O ? ? 1 +38472 C CB A GLN X 118 0.3185 0.8990 0.8580 -0.0365 -0.1436 -0.0520 129 GLN d CB ? ? 1 +38473 C CB B GLN X 118 0.3196 0.9002 0.8593 -0.0366 -0.1436 -0.0521 129 GLN d CB ? ? 1 +38474 C CG A GLN X 118 0.3229 0.8922 0.8540 -0.0382 -0.1381 -0.0514 129 GLN d CG ? ? 1 +38475 C CG B GLN X 118 0.3242 0.8934 0.8550 -0.0381 -0.1382 -0.0514 129 GLN d CG ? ? 1 +38476 C CD A GLN X 118 0.3113 0.8809 0.8481 -0.0394 -0.1300 -0.0468 129 GLN d CD ? ? 1 +38477 C CD B GLN X 118 0.3131 0.8823 0.8490 -0.0389 -0.1300 -0.0466 129 GLN d CD ? ? 1 +38478 O OE1 A GLN X 118 0.3005 0.8784 0.8508 -0.0432 -0.1285 -0.0467 129 GLN d OE1 ? ? 1 +38479 O OE1 B GLN X 118 0.3025 0.8792 0.8515 -0.0430 -0.1281 -0.0465 129 GLN d OE1 ? ? 1 +38480 N NE2 A GLN X 118 0.3137 0.8744 0.8403 -0.0361 -0.1246 -0.0431 129 GLN d NE2 ? ? 1 +38481 N NE2 B GLN X 118 0.3154 0.8762 0.8409 -0.0350 -0.1250 -0.0426 129 GLN d NE2 ? ? 1 +38482 N N . PHE X 119 0.3176 0.9222 0.8771 -0.0367 -0.1588 -0.0588 130 PHE d N ? ? 1 +38483 C CA . PHE X 119 0.3158 0.9310 0.8830 -0.0340 -0.1643 -0.0595 130 PHE d CA ? ? 1 +38484 C CB . PHE X 119 0.3041 0.9322 0.8903 -0.0389 -0.1635 -0.0608 130 PHE d CB ? ? 1 +38485 C CG . PHE X 119 0.2912 0.9223 0.8841 -0.0385 -0.1565 -0.0553 130 PHE d CG ? ? 1 +38486 C CD1 . PHE X 119 0.2881 0.9211 0.8792 -0.0327 -0.1565 -0.0513 130 PHE d CD1 ? ? 1 +38487 C CD2 . PHE X 119 0.2828 0.9145 0.8834 -0.0438 -0.1501 -0.0543 130 PHE d CD2 ? ? 1 +38488 C CE1 . PHE X 119 0.2763 0.9120 0.8736 -0.0325 -0.1502 -0.0465 130 PHE d CE1 ? ? 1 +38489 C CE2 . PHE X 119 0.2709 0.9055 0.8776 -0.0433 -0.1441 -0.0495 130 PHE d CE2 ? ? 1 +38490 C CZ . PHE X 119 0.2676 0.9044 0.8728 -0.0377 -0.1442 -0.0457 130 PHE d CZ ? ? 1 +38491 C C . PHE X 119 0.3297 0.9460 0.8921 -0.0320 -0.1737 -0.0646 130 PHE d C ? ? 1 +38492 O O . PHE X 119 0.3325 0.9504 0.8906 -0.0263 -0.1781 -0.0636 130 PHE d O ? ? 1 +38493 N N . GLU X 120 0.3402 0.9551 0.9028 -0.0368 -0.1768 -0.0700 131 GLU d N ? ? 1 +38494 C CA . GLU X 120 0.3548 0.9714 0.9141 -0.0358 -0.1861 -0.0757 131 GLU d CA ? ? 1 +38495 C CB . GLU X 120 0.3592 0.9756 0.9227 -0.0430 -0.1879 -0.0816 131 GLU d CB ? ? 1 +38496 C CG . GLU X 120 0.3681 0.9908 0.9341 -0.0434 -0.1981 -0.0884 131 GLU d CG ? ? 1 +38497 C CD . GLU X 120 0.3715 0.9968 0.9454 -0.0515 -0.2000 -0.0947 131 GLU d CD ? ? 1 +38498 O OE1 . GLU X 120 0.3700 0.9880 0.9422 -0.0561 -0.1936 -0.0939 131 GLU d OE1 ? ? 1 +38499 O OE2 . GLU X 120 0.3750 1.0097 0.9568 -0.0532 -0.2079 -0.1005 131 GLU d OE2 ? ? 1 +38500 C C . GLU X 120 0.3727 0.9778 0.9124 -0.0292 -0.1887 -0.0744 131 GLU d C ? ? 1 +38501 O O . GLU X 120 0.3786 0.9862 0.9146 -0.0242 -0.1955 -0.0755 131 GLU d O ? ? 1 +38502 N N . ILE X 121 0.3828 0.9749 0.9098 -0.0288 -0.1831 -0.0720 132 ILE d N ? ? 1 +38503 C CA . ILE X 121 0.3993 0.9794 0.9070 -0.0228 -0.1843 -0.0704 132 ILE d CA ? ? 1 +38504 C CB . ILE X 121 0.4060 0.9729 0.9022 -0.0241 -0.1778 -0.0690 132 ILE d CB ? ? 1 +38505 C CG1 . ILE X 121 0.4134 0.9786 0.9117 -0.0304 -0.1802 -0.0750 132 ILE d CG1 ? ? 1 +38506 C CG2 . ILE X 121 0.4192 0.9735 0.8952 -0.0175 -0.1778 -0.0667 132 ILE d CG2 ? ? 1 +38507 C CD1 . ILE X 121 0.4191 0.9724 0.9086 -0.0323 -0.1738 -0.0739 132 ILE d CD1 ? ? 1 +38508 C C . ILE X 121 0.3979 0.9779 0.9007 -0.0159 -0.1831 -0.0650 132 ILE d C ? ? 1 +38509 O O . ILE X 121 0.4103 0.9857 0.9011 -0.0103 -0.1880 -0.0651 132 ILE d O ? ? 1 +38510 N N A ALA X 122 0.3847 0.9693 0.8965 -0.0164 -0.1767 -0.0602 133 ALA d N ? ? 1 +38511 N N B ALA X 122 0.3846 0.9690 0.8961 -0.0164 -0.1766 -0.0602 133 ALA d N ? ? 1 +38512 C CA A ALA X 122 0.3824 0.9671 0.8908 -0.0105 -0.1750 -0.0550 133 ALA d CA ? ? 1 +38513 C CA B ALA X 122 0.3820 0.9667 0.8904 -0.0105 -0.1750 -0.0550 133 ALA d CA ? ? 1 +38514 C C A ALA X 122 0.3859 0.9791 0.8982 -0.0070 -0.1833 -0.0571 133 ALA d C ? ? 1 +38515 C C B ALA X 122 0.3863 0.9789 0.8978 -0.0070 -0.1837 -0.0575 133 ALA d C ? ? 1 +38516 O O A ALA X 122 0.3922 0.9809 0.8939 -0.0007 -0.1854 -0.0547 133 ALA d O ? ? 1 +38517 O O B ALA X 122 0.3943 0.9815 0.8936 -0.0008 -0.1866 -0.0558 133 ALA d O ? ? 1 +38518 C CB A ALA X 122 0.3658 0.9554 0.8853 -0.0126 -0.1671 -0.0504 133 ALA d CB ? ? 1 +38519 C CB B ALA X 122 0.3653 0.9552 0.8851 -0.0125 -0.1674 -0.0505 133 ALA d CB ? ? 1 +38520 N N . ARG X 123 0.3827 0.9878 0.9102 -0.0111 -0.1880 -0.0617 134 ARG d N ? ? 1 +38521 C CA . ARG X 123 0.3874 1.0022 0.9209 -0.0081 -0.1963 -0.0644 134 ARG d CA ? ? 1 +38522 C CB . ARG X 123 0.3776 1.0068 0.9313 -0.0143 -0.1988 -0.0689 134 ARG d CB ? ? 1 +38523 C CG . ARG X 123 0.3765 1.0180 0.9397 -0.0115 -0.2066 -0.0716 134 ARG d CG ? ? 1 +38524 C CD . ARG X 123 0.3696 1.0137 0.9341 -0.0062 -0.2042 -0.0662 134 ARG d CD ? ? 1 +38525 N NE . ARG X 123 0.3812 1.0159 0.9285 0.0015 -0.2070 -0.0636 134 ARG d NE ? ? 1 +38526 C CZ . ARG X 123 0.3806 1.0150 0.9254 0.0071 -0.2059 -0.0590 134 ARG d CZ ? ? 1 +38527 N NH1 . ARG X 123 0.3671 1.0106 0.9256 0.0061 -0.2025 -0.0566 134 ARG d NH1 ? ? 1 +38528 N NH2 . ARG X 123 0.3940 1.0184 0.9216 0.0138 -0.2081 -0.0567 134 ARG d NH2 ? ? 1 +38529 C C . ARG X 123 0.4081 1.0176 0.9283 -0.0041 -0.2048 -0.0681 134 ARG d C ? ? 1 +38530 O O . ARG X 123 0.4128 1.0240 0.9290 0.0019 -0.2102 -0.0677 134 ARG d O ? ? 1 +38531 N N . LEU X 124 0.4235 1.0259 0.9364 -0.0070 -0.2060 -0.0718 135 LEU d N ? ? 1 +38532 C CA . LEU X 124 0.4470 1.0440 0.9471 -0.0037 -0.2142 -0.0759 135 LEU d CA ? ? 1 +38533 C CB . LEU X 124 0.4584 1.0526 0.9585 -0.0098 -0.2157 -0.0814 135 LEU d CB ? ? 1 +38534 C CG . LEU X 124 0.4522 1.0604 0.9729 -0.0171 -0.2183 -0.0866 135 LEU d CG ? ? 1 +38535 C CD1 . LEU X 124 0.4615 1.0651 0.9800 -0.0230 -0.2198 -0.0921 135 LEU d CD1 ? ? 1 +38536 C CD2 . LEU X 124 0.4508 1.0725 0.9818 -0.0149 -0.2276 -0.0903 135 LEU d CD2 ? ? 1 +38537 C C . LEU X 124 0.4611 1.0439 0.9400 0.0033 -0.2126 -0.0717 135 LEU d C ? ? 1 +38538 O O . LEU X 124 0.4750 1.0552 0.9439 0.0089 -0.2195 -0.0729 135 LEU d O ? ? 1 +38539 N N A VAL X 125 0.4574 1.0311 0.9297 0.0029 -0.2033 -0.0667 136 VAL d N ? ? 1 +38540 N N B VAL X 125 0.4605 1.0340 0.9325 0.0028 -0.2034 -0.0668 136 VAL d N ? ? 1 +38541 C CA A VAL X 125 0.4670 1.0273 0.9200 0.0089 -0.2002 -0.0623 136 VAL d CA ? ? 1 +38542 C CA B VAL X 125 0.4719 1.0319 0.9247 0.0088 -0.2001 -0.0624 136 VAL d CA ? ? 1 +38543 C C A VAL X 125 0.4612 1.0235 0.9139 0.0143 -0.1987 -0.0570 136 VAL d C ? ? 1 +38544 C C B VAL X 125 0.4675 1.0294 0.9198 0.0142 -0.1987 -0.0571 136 VAL d C ? ? 1 +38545 O O A VAL X 125 0.4730 1.0261 0.9098 0.0205 -0.1995 -0.0545 136 VAL d O ? ? 1 +38546 O O B VAL X 125 0.4796 1.0321 0.9159 0.0203 -0.1992 -0.0544 136 VAL d O ? ? 1 +38547 C CB A VAL X 125 0.4674 1.0183 0.9148 0.0061 -0.1909 -0.0595 136 VAL d CB ? ? 1 +38548 C CB B VAL X 125 0.4735 1.0242 0.9209 0.0059 -0.1907 -0.0596 136 VAL d CB ? ? 1 +38549 C CG1 A VAL X 125 0.4728 1.0124 0.9049 0.0117 -0.1848 -0.0534 136 VAL d CG1 ? ? 1 +38550 C CG1 B VAL X 125 0.4783 1.0181 0.9110 0.0113 -0.1843 -0.0533 136 VAL d CG1 ? ? 1 +38551 C CG2 A VAL X 125 0.4786 1.0231 0.9194 0.0028 -0.1934 -0.0647 136 VAL d CG2 ? ? 1 +38552 C CG2 B VAL X 125 0.4853 1.0293 0.9257 0.0028 -0.1931 -0.0647 136 VAL d CG2 ? ? 1 +38553 N N A GLY X 126 0.4439 1.0176 0.9136 0.0120 -0.1965 -0.0554 137 GLY d N ? ? 1 +38554 N N B GLY X 126 0.4517 1.0251 0.9210 0.0120 -0.1965 -0.0555 137 GLY d N ? ? 1 +38555 C CA A GLY X 126 0.4380 1.0149 0.9093 0.0168 -0.1957 -0.0510 137 GLY d CA ? ? 1 +38556 C CA B GLY X 126 0.4472 1.0239 0.9182 0.0167 -0.1959 -0.0511 137 GLY d CA ? ? 1 +38557 C C A GLY X 126 0.4302 1.0009 0.8978 0.0176 -0.1856 -0.0441 137 GLY d C ? ? 1 +38558 C C B GLY X 126 0.4416 1.0119 0.9084 0.0178 -0.1859 -0.0443 137 GLY d C ? ? 1 +38559 O O A GLY X 126 0.4344 0.9997 0.8927 0.0230 -0.1842 -0.0399 137 GLY d O ? ? 1 +38560 O O B GLY X 126 0.4474 1.0114 0.9035 0.0234 -0.1847 -0.0402 137 GLY d O ? ? 1 +38561 N N A VAL X 127 0.4187 0.9902 0.8938 0.0121 -0.1785 -0.0432 138 VAL d N ? ? 1 +38562 N N B VAL X 127 0.4306 1.0025 0.9061 0.0122 -0.1787 -0.0432 138 VAL d N ? ? 1 +38563 C CA A VAL X 127 0.4096 0.9769 0.8838 0.0121 -0.1689 -0.0373 138 VAL d CA ? ? 1 +38564 C CA B VAL X 127 0.4226 0.9905 0.8974 0.0123 -0.1691 -0.0372 138 VAL d CA ? ? 1 +38565 C C A VAL X 127 0.3915 0.9703 0.8847 0.0078 -0.1654 -0.0361 138 VAL d C ? ? 1 +38566 C C B VAL X 127 0.4055 0.9848 0.8993 0.0078 -0.1655 -0.0361 138 VAL d C ? ? 1 +38567 O O A VAL X 127 0.3857 0.9747 0.8923 0.0041 -0.1695 -0.0402 138 VAL d O ? ? 1 +38568 O O B VAL X 127 0.3994 0.9887 0.9066 0.0038 -0.1693 -0.0402 138 VAL d O ? ? 1 +38569 C CB A VAL X 127 0.4135 0.9701 0.8778 0.0102 -0.1629 -0.0365 138 VAL d CB ? ? 1 +38570 C CB B VAL X 127 0.4263 0.9832 0.8907 0.0106 -0.1630 -0.0362 138 VAL d CB ? ? 1 +38571 C CG1 A VAL X 127 0.4318 0.9760 0.8759 0.0151 -0.1653 -0.0368 138 VAL d CG1 ? ? 1 +38572 C CG1 B VAL X 127 0.4445 0.9890 0.8887 0.0156 -0.1655 -0.0365 138 VAL d CG1 ? ? 1 +38573 C CG2 A VAL X 127 0.4093 0.9695 0.8827 0.0037 -0.1631 -0.0409 138 VAL d CG2 ? ? 1 +38574 C CG2 B VAL X 127 0.4220 0.9821 0.8950 0.0041 -0.1629 -0.0405 138 VAL d CG2 ? ? 1 +38575 N N A ARG X 128 0.3832 0.9602 0.8775 0.0083 -0.1576 -0.0307 139 ARG d N ? ? 1 +38576 N N B ARG X 128 0.3982 0.9757 0.8931 0.0083 -0.1578 -0.0307 139 ARG d N ? ? 1 +38577 C CA A ARG X 128 0.3666 0.9533 0.8774 0.0046 -0.1537 -0.0291 139 ARG d CA ? ? 1 +38578 C CA B ARG X 128 0.3825 0.9697 0.8940 0.0046 -0.1538 -0.0292 139 ARG d CA ? ? 1 +38579 C C A ARG X 128 0.3569 0.9442 0.8744 -0.0016 -0.1496 -0.0308 139 ARG d C ? ? 1 +38580 C C B ARG X 128 0.3704 0.9585 0.8887 -0.0017 -0.1500 -0.0311 139 ARG d C ? ? 1 +38581 O O A ARG X 128 0.3632 0.9414 0.8710 -0.0022 -0.1464 -0.0307 139 ARG d O ? ? 1 +38582 O O B ARG X 128 0.3772 0.9562 0.8855 -0.0023 -0.1476 -0.0315 139 ARG d O ? ? 1 +38583 C CB A ARG X 128 0.3638 0.9479 0.8727 0.0075 -0.1472 -0.0229 139 ARG d CB ? ? 1 +38584 C CB B ARG X 128 0.3828 0.9672 0.8922 0.0073 -0.1471 -0.0229 139 ARG d CB ? ? 1 +38585 C CG A ARG X 128 0.3751 0.9560 0.8746 0.0140 -0.1508 -0.0209 139 ARG d CG ? ? 1 +38586 C CG B ARG X 128 0.3976 0.9785 0.8973 0.0139 -0.1505 -0.0208 139 ARG d CG ? ? 1 +38587 C CD A ARG X 128 0.3768 0.9506 0.8688 0.0168 -0.1437 -0.0148 139 ARG d CD ? ? 1 +38588 C CD B ARG X 128 0.4019 0.9756 0.8941 0.0166 -0.1433 -0.0147 139 ARG d CD ? ? 1 +38589 N NE A ARG X 128 0.3663 0.9476 0.8705 0.0160 -0.1403 -0.0118 139 ARG d NE ? ? 1 +38590 N NE B ARG X 128 0.3946 0.9758 0.8990 0.0157 -0.1399 -0.0117 139 ARG d NE ? ? 1 +38591 C CZ A ARG X 128 0.3646 0.9430 0.8687 0.0157 -0.1326 -0.0071 139 ARG d CZ ? ? 1 +38592 C CZ B ARG X 128 0.3995 0.9775 0.9030 0.0159 -0.1325 -0.0069 139 ARG d CZ ? ? 1 +38593 N NH1 A ARG X 128 0.3705 0.9402 0.8655 0.0154 -0.1268 -0.0050 139 ARG d NH1 ? ? 1 +38594 N NH1 B ARG X 128 0.4082 0.9774 0.9025 0.0157 -0.1265 -0.0047 139 ARG d NH1 ? ? 1 +38595 N NH2 A ARG X 128 0.3559 0.9408 0.8699 0.0156 -0.1307 -0.0046 139 ARG d NH2 ? ? 1 +38596 N NH2 B ARG X 128 0.3940 0.9782 0.9068 0.0162 -0.1308 -0.0043 139 ARG d NH2 ? ? 1 +38597 N N A PRO X 129 0.3413 0.9392 0.8753 -0.0064 -0.1496 -0.0327 140 PRO d N ? ? 1 +38598 N N B PRO X 129 0.3519 0.9504 0.8867 -0.0065 -0.1497 -0.0327 140 PRO d N ? ? 1 +38599 C CA A PRO X 129 0.3347 0.9331 0.8749 -0.0125 -0.1464 -0.0348 140 PRO d CA ? ? 1 +38600 C CA B PRO X 129 0.3443 0.9430 0.8851 -0.0126 -0.1463 -0.0348 140 PRO d CA ? ? 1 +38601 C C A PRO X 129 0.3230 0.9185 0.8654 -0.0145 -0.1374 -0.0305 140 PRO d C ? ? 1 +38602 C C B PRO X 129 0.3316 0.9273 0.8744 -0.0145 -0.1372 -0.0303 140 PRO d C ? ? 1 +38603 O O A PRO X 129 0.3122 0.9128 0.8659 -0.0194 -0.1345 -0.0312 140 PRO d O ? ? 1 +38604 O O B PRO X 129 0.3196 0.9206 0.8738 -0.0193 -0.1343 -0.0310 140 PRO d O ? ? 1 +38605 C CB A PRO X 129 0.3276 0.9387 0.8842 -0.0164 -0.1506 -0.0386 140 PRO d CB ? ? 1 +38606 C CB B PRO X 129 0.3373 0.9488 0.8945 -0.0166 -0.1505 -0.0386 140 PRO d CB ? ? 1 +38607 C CG A PRO X 129 0.3214 0.9394 0.8837 -0.0128 -0.1515 -0.0358 140 PRO d CG ? ? 1 +38608 C CG B PRO X 129 0.3308 0.9493 0.8940 -0.0130 -0.1513 -0.0358 140 PRO d CG ? ? 1 +38609 C CD A PRO X 129 0.3321 0.9416 0.8790 -0.0061 -0.1528 -0.0330 140 PRO d CD ? ? 1 +38610 C CD B PRO X 129 0.3417 0.9519 0.8897 -0.0063 -0.1527 -0.0330 140 PRO d CD ? ? 1 +38611 N N A TYR X 130 0.3242 0.9113 0.8556 -0.0106 -0.1328 -0.0261 141 TYR d N ? ? 1 +38612 N N B TYR X 130 0.3324 0.9198 0.8642 -0.0106 -0.1326 -0.0260 141 TYR d N ? ? 1 +38613 C CA A TYR X 130 0.3144 0.8994 0.8480 -0.0119 -0.1245 -0.0220 141 TYR d CA ? ? 1 +38614 C CA B TYR X 130 0.3227 0.9080 0.8568 -0.0119 -0.1243 -0.0219 141 TYR d CA ? ? 1 +38615 C C A TYR X 130 0.3125 0.8919 0.8439 -0.0155 -0.1209 -0.0234 141 TYR d C ? ? 1 +38616 C C B TYR X 130 0.3189 0.8984 0.8505 -0.0155 -0.1208 -0.0233 141 TYR d C ? ? 1 +38617 O O A TYR X 130 0.3034 0.8840 0.8413 -0.0182 -0.1153 -0.0215 141 TYR d O ? ? 1 +38618 O O B TYR X 130 0.3095 0.8905 0.8480 -0.0184 -0.1154 -0.0216 141 TYR d O ? ? 1 +38619 C CB A TYR X 130 0.3188 0.8974 0.8424 -0.0069 -0.1204 -0.0170 141 TYR d CB ? ? 1 +38620 C CB B TYR X 130 0.3286 0.9076 0.8530 -0.0070 -0.1201 -0.0167 141 TYR d CB ? ? 1 +38621 C CG A TYR X 130 0.3145 0.8995 0.8440 -0.0044 -0.1213 -0.0143 141 TYR d CG ? ? 1 +38622 C CG B TYR X 130 0.3271 0.9125 0.8573 -0.0045 -0.1212 -0.0142 141 TYR d CG ? ? 1 +38623 C CD2 A TYR X 130 0.3029 0.8928 0.8421 -0.0059 -0.1161 -0.0110 141 TYR d CD2 ? ? 1 +38624 C CD2 B TYR X 130 0.3393 0.9259 0.8656 -0.0008 -0.1276 -0.0154 141 TYR d CD2 ? ? 1 +38625 C CD1 A TYR X 130 0.3237 0.9100 0.8495 -0.0007 -0.1277 -0.0155 141 TYR d CD1 ? ? 1 +38626 C CD1 B TYR X 130 0.3167 0.9070 0.8565 -0.0058 -0.1160 -0.0108 141 TYR d CD1 ? ? 1 +38627 C CE2 A TYR X 130 0.2988 0.8941 0.8433 -0.0037 -0.1169 -0.0087 141 TYR d CE2 ? ? 1 +38628 C CE2 B TYR X 130 0.3368 0.9289 0.8682 0.0017 -0.1288 -0.0132 141 TYR d CE2 ? ? 1 +38629 C CE1 A TYR X 130 0.3195 0.9112 0.8504 0.0018 -0.1286 -0.0131 141 TYR d CE1 ? ? 1 +38630 C CE1 B TYR X 130 0.3145 0.9103 0.8595 -0.0036 -0.1170 -0.0086 141 TYR d CE1 ? ? 1 +38631 C CZ A TYR X 130 0.3075 0.9037 0.8479 0.0002 -0.1231 -0.0097 141 TYR d CZ ? ? 1 +38632 C CZ B TYR X 130 0.3255 0.9221 0.8662 0.0003 -0.1234 -0.0098 141 TYR d CZ ? ? 1 +38633 O OH A TYR X 130 0.3056 0.9067 0.8509 0.0026 -0.1239 -0.0075 141 TYR d OH ? ? 1 +38634 O OH B TYR X 130 0.3276 0.9291 0.8728 0.0029 -0.1247 -0.0078 141 TYR d OH ? ? 1 +38635 N N A ASN X 131 0.3217 0.8947 0.8437 -0.0155 -0.1244 -0.0270 142 ASN d N ? ? 1 +38636 N N B ASN X 131 0.3266 0.8992 0.8481 -0.0152 -0.1240 -0.0266 142 ASN d N ? ? 1 +38637 C CA A ASN X 131 0.3223 0.8897 0.8420 -0.0190 -0.1217 -0.0290 142 ASN d CA ? ? 1 +38638 C CA B ASN X 131 0.3264 0.8935 0.8457 -0.0188 -0.1215 -0.0287 142 ASN d CA ? ? 1 +38639 C C A ASN X 131 0.3125 0.8876 0.8465 -0.0251 -0.1223 -0.0318 142 ASN d C ? ? 1 +38640 C C B ASN X 131 0.3152 0.8901 0.8489 -0.0248 -0.1219 -0.0314 142 ASN d C ? ? 1 +38641 O O A ASN X 131 0.3081 0.8810 0.8450 -0.0283 -0.1172 -0.0311 142 ASN d O ? ? 1 +38642 O O B ASN X 131 0.3096 0.8829 0.8469 -0.0278 -0.1165 -0.0302 142 ASN d O ? ? 1 +38643 C CB A ASN X 131 0.3381 0.8970 0.8444 -0.0175 -0.1259 -0.0324 142 ASN d CB ? ? 1 +38644 C CB B ASN X 131 0.3423 0.9011 0.8484 -0.0174 -0.1259 -0.0323 142 ASN d CB ? ? 1 +38645 C CG A ASN X 131 0.3434 0.8949 0.8454 -0.0207 -0.1232 -0.0345 142 ASN d CG ? ? 1 +38646 C CG B ASN X 131 0.3475 0.8996 0.8501 -0.0209 -0.1235 -0.0347 142 ASN d CG ? ? 1 +38647 O OD1 A ASN X 131 0.3497 0.9010 0.8525 -0.0240 -0.1275 -0.0394 142 ASN d OD1 ? ? 1 +38648 O OD1 B ASN X 131 0.3577 0.9076 0.8574 -0.0229 -0.1284 -0.0395 142 ASN d OD1 ? ? 1 +38649 N ND2 A ASN X 131 0.3415 0.8869 0.8391 -0.0198 -0.1161 -0.0311 142 ASN d ND2 ? ? 1 +38650 N ND2 B ASN X 131 0.3420 0.8904 0.8447 -0.0215 -0.1163 -0.0316 142 ASN d ND2 ? ? 1 +38651 N N A ALA X 132 0.3089 0.8929 0.8516 -0.0267 -0.1284 -0.0350 143 ALA d N ? ? 1 +38652 N N B ALA X 132 0.3113 0.8947 0.8534 -0.0265 -0.1281 -0.0348 143 ALA d N ? ? 1 +38653 C CA A ALA X 132 0.2996 0.8917 0.8566 -0.0326 -0.1287 -0.0377 143 ALA d CA ? ? 1 +38654 C CA B ALA X 132 0.3011 0.8928 0.8577 -0.0324 -0.1285 -0.0374 143 ALA d CA ? ? 1 +38655 C C A ALA X 132 0.2839 0.8812 0.8511 -0.0338 -0.1227 -0.0336 143 ALA d C ? ? 1 +38656 C C B ALA X 132 0.2848 0.8821 0.8519 -0.0336 -0.1227 -0.0335 143 ALA d C ? ? 1 +38657 O O A ALA X 132 0.2783 0.8763 0.8520 -0.0383 -0.1189 -0.0339 143 ALA d O ? ? 1 +38658 O O B ALA X 132 0.2786 0.8772 0.8529 -0.0383 -0.1192 -0.0340 143 ALA d O ? ? 1 +38659 C CB A ALA X 132 0.3008 0.9023 0.8656 -0.0334 -0.1364 -0.0419 143 ALA d CB ? ? 1 +38660 C CB B ALA X 132 0.3028 0.9037 0.8667 -0.0331 -0.1363 -0.0417 143 ALA d CB ? ? 1 +38661 N N A ILE X 133 0.2777 0.8782 0.8456 -0.0297 -0.1220 -0.0299 144 ILE d N ? ? 1 +38662 N N B ILE X 133 0.2784 0.8788 0.8461 -0.0295 -0.1218 -0.0297 144 ILE d N ? ? 1 +38663 C CA A ILE X 133 0.2641 0.8692 0.8406 -0.0302 -0.1166 -0.0259 144 ILE d CA ? ? 1 +38664 C CA B ILE X 133 0.2649 0.8700 0.8414 -0.0301 -0.1165 -0.0257 144 ILE d CA ? ? 1 +38665 C C A ILE X 133 0.2609 0.8587 0.8333 -0.0311 -0.1094 -0.0231 144 ILE d C ? ? 1 +38666 C C B ILE X 133 0.2615 0.8593 0.8336 -0.0307 -0.1092 -0.0227 144 ILE d C ? ? 1 +38667 O O A ILE X 133 0.2523 0.8532 0.8333 -0.0345 -0.1055 -0.0221 144 ILE d O ? ? 1 +38668 O O B ILE X 133 0.2526 0.8535 0.8331 -0.0336 -0.1049 -0.0212 144 ILE d O ? ? 1 +38669 C CB A ILE X 133 0.2621 0.8698 0.8373 -0.0251 -0.1172 -0.0224 144 ILE d CB ? ? 1 +38670 C CB B ILE X 133 0.2624 0.8712 0.8389 -0.0253 -0.1174 -0.0225 144 ILE d CB ? ? 1 +38671 C CG1 A ILE X 133 0.2625 0.8795 0.8451 -0.0246 -0.1240 -0.0252 144 ILE d CG1 ? ? 1 +38672 C CG1 B ILE X 133 0.2620 0.8809 0.8476 -0.0256 -0.1240 -0.0256 144 ILE d CG1 ? ? 1 +38673 C CG2 A ILE X 133 0.2507 0.8605 0.8316 -0.0250 -0.1109 -0.0177 144 ILE d CG2 ? ? 1 +38674 C CG2 B ILE X 133 0.2512 0.8617 0.8328 -0.0249 -0.1110 -0.0177 144 ILE d CG2 ? ? 1 +38675 C CD1 A ILE X 133 0.2638 0.8817 0.8427 -0.0190 -0.1259 -0.0224 144 ILE d CD1 ? ? 1 +38676 C CD1 B ILE X 133 0.2639 0.8845 0.8464 -0.0201 -0.1268 -0.0235 144 ILE d CD1 ? ? 1 +38677 N N A ALA X 134 0.2680 0.8561 0.8271 -0.0280 -0.1078 -0.0218 145 ALA d N ? ? 1 +38678 N N B ALA X 134 0.2689 0.8568 0.8277 -0.0278 -0.1079 -0.0218 145 ALA d N ? ? 1 +38679 C CA A ALA X 134 0.2662 0.8473 0.8208 -0.0281 -0.1013 -0.0193 145 ALA d CA ? ? 1 +38680 C CA B ALA X 134 0.2670 0.8479 0.8212 -0.0280 -0.1013 -0.0193 145 ALA d CA ? ? 1 +38681 C C A ALA X 134 0.2663 0.8451 0.8236 -0.0330 -0.1002 -0.0223 145 ALA d C ? ? 1 +38682 C C B ALA X 134 0.2664 0.8455 0.8240 -0.0330 -0.1002 -0.0222 145 ALA d C ? ? 1 +38683 O O A ALA X 134 0.2614 0.8375 0.8200 -0.0343 -0.0948 -0.0203 145 ALA d O ? ? 1 +38684 O O B ALA X 134 0.2602 0.8375 0.8203 -0.0345 -0.0948 -0.0202 145 ALA d O ? ? 1 +38685 C CB A ALA X 134 0.2766 0.8481 0.8163 -0.0237 -0.1003 -0.0180 145 ALA d CB ? ? 1 +38686 C CB B ALA X 134 0.2777 0.8489 0.8169 -0.0237 -0.1004 -0.0182 145 ALA d CB ? ? 1 +38687 N N A PHE X 135 0.2714 0.8512 0.8294 -0.0358 -0.1056 -0.0271 146 PHE d N ? ? 1 +38688 N N B PHE X 135 0.2721 0.8515 0.8296 -0.0357 -0.1055 -0.0271 146 PHE d N ? ? 1 +38689 C CA A PHE X 135 0.2736 0.8500 0.8330 -0.0407 -0.1049 -0.0303 146 PHE d CA ? ? 1 +38690 C CA B PHE X 135 0.2738 0.8501 0.8332 -0.0407 -0.1048 -0.0302 146 PHE d CA ? ? 1 +38691 C C A PHE X 135 0.2621 0.8458 0.8353 -0.0455 -0.1027 -0.0303 146 PHE d C ? ? 1 +38692 C C B PHE X 135 0.2622 0.8460 0.8355 -0.0455 -0.1027 -0.0303 146 PHE d C ? ? 1 +38693 O O A PHE X 135 0.2631 0.8435 0.8379 -0.0495 -0.1004 -0.0318 146 PHE d O ? ? 1 +38694 O O B PHE X 135 0.2632 0.8438 0.8382 -0.0496 -0.1005 -0.0319 146 PHE d O ? ? 1 +38695 C CB A PHE X 135 0.2846 0.8597 0.8405 -0.0424 -0.1114 -0.0357 146 PHE d CB ? ? 1 +38696 C CB B PHE X 135 0.2849 0.8599 0.8407 -0.0423 -0.1113 -0.0356 146 PHE d CB ? ? 1 +38697 C CG A PHE X 135 0.2911 0.8598 0.8447 -0.0469 -0.1105 -0.0390 146 PHE d CG ? ? 1 +38698 C CG B PHE X 135 0.2913 0.8600 0.8451 -0.0469 -0.1104 -0.0389 146 PHE d CG ? ? 1 +38699 C CD1 A PHE X 135 0.2978 0.8553 0.8403 -0.0454 -0.1065 -0.0378 146 PHE d CD1 ? ? 1 +38700 C CD1 B PHE X 135 0.2971 0.8550 0.8406 -0.0456 -0.1060 -0.0376 146 PHE d CD1 ? ? 1 +38701 C CD2 A PHE X 135 0.2905 0.8640 0.8531 -0.0526 -0.1134 -0.0433 146 PHE d CD2 ? ? 1 +38702 C CD2 B PHE X 135 0.2914 0.8649 0.8535 -0.0525 -0.1139 -0.0435 146 PHE d CD2 ? ? 1 +38703 C CE1 A PHE X 135 0.3043 0.8551 0.8442 -0.0493 -0.1056 -0.0408 146 PHE d CE1 ? ? 1 +38704 C CE1 B PHE X 135 0.3035 0.8548 0.8445 -0.0496 -0.1052 -0.0406 146 PHE d CE1 ? ? 1 +38705 C CE2 A PHE X 135 0.2972 0.8640 0.8572 -0.0569 -0.1124 -0.0462 146 PHE d CE2 ? ? 1 +38706 C CE2 B PHE X 135 0.2979 0.8648 0.8577 -0.0569 -0.1129 -0.0465 146 PHE d CE2 ? ? 1 +38707 C CZ A PHE X 135 0.3044 0.8595 0.8527 -0.0552 -0.1086 -0.0450 146 PHE d CZ ? ? 1 +38708 C CZ B PHE X 135 0.3046 0.8600 0.8534 -0.0553 -0.1086 -0.0450 146 PHE d CZ ? ? 1 +38709 N N . SER X 136 0.2515 0.8446 0.8341 -0.0447 -0.1032 -0.0284 147 SER d N ? ? 1 +38710 C CA . SER X 136 0.2397 0.8399 0.8351 -0.0487 -0.1006 -0.0279 147 SER d CA ? ? 1 +38711 C CB . SER X 136 0.2309 0.8408 0.8346 -0.0467 -0.1017 -0.0258 147 SER d CB ? ? 1 +38712 O OG . SER X 136 0.2270 0.8346 0.8266 -0.0423 -0.0979 -0.0209 147 SER d OG ? ? 1 +38713 C C . SER X 136 0.2340 0.8292 0.8288 -0.0496 -0.0937 -0.0247 147 SER d C ? ? 1 +38714 O O . SER X 136 0.2290 0.8267 0.8316 -0.0539 -0.0914 -0.0253 147 SER d O ? ? 1 +38715 N N A ALA X 137 0.2356 0.8240 0.8211 -0.0454 -0.0904 -0.0215 148 ALA d N ? ? 1 +38716 N N B ALA X 137 0.2351 0.8237 0.8208 -0.0454 -0.0903 -0.0214 148 ALA d N ? ? 1 +38717 C CA A ALA X 137 0.2311 0.8149 0.8154 -0.0453 -0.0842 -0.0184 148 ALA d CA ? ? 1 +38718 C CA B ALA X 137 0.2302 0.8146 0.8154 -0.0455 -0.0841 -0.0183 148 ALA d CA ? ? 1 +38719 C C A ALA X 137 0.2372 0.8136 0.8180 -0.0488 -0.0827 -0.0209 148 ALA d C ? ? 1 +38720 C C B ALA X 137 0.2365 0.8132 0.8179 -0.0489 -0.0826 -0.0208 148 ALA d C ? ? 1 +38721 O O A ALA X 137 0.2324 0.8090 0.8188 -0.0520 -0.0795 -0.0204 148 ALA d O ? ? 1 +38722 O O B ALA X 137 0.2316 0.8087 0.8187 -0.0522 -0.0795 -0.0205 148 ALA d O ? ? 1 +38723 C CB A ALA X 137 0.2328 0.8117 0.8082 -0.0400 -0.0814 -0.0148 148 ALA d CB ? ? 1 +38724 C CB B ALA X 137 0.2309 0.8109 0.8080 -0.0402 -0.0810 -0.0145 148 ALA d CB ? ? 1 +38725 N N A PRO X 138 0.2488 0.8176 0.8197 -0.0483 -0.0849 -0.0236 149 PRO d N ? ? 1 +38726 N N B PRO X 138 0.2484 0.8174 0.8196 -0.0482 -0.0847 -0.0234 149 PRO d N ? ? 1 +38727 C CA A PRO X 138 0.2564 0.8177 0.8239 -0.0519 -0.0841 -0.0264 149 PRO d CA ? ? 1 +38728 C CA B PRO X 138 0.2561 0.8177 0.8239 -0.0519 -0.0839 -0.0263 149 PRO d CA ? ? 1 +38729 C C A PRO X 138 0.2543 0.8206 0.8319 -0.0582 -0.0856 -0.0295 149 PRO d C ? ? 1 +38730 C C B PRO X 138 0.2538 0.8205 0.8319 -0.0581 -0.0853 -0.0292 149 PRO d C ? ? 1 +38731 O O A PRO X 138 0.2557 0.8175 0.8341 -0.0615 -0.0824 -0.0300 149 PRO d O ? ? 1 +38732 O O B PRO X 138 0.2543 0.8170 0.8338 -0.0614 -0.0819 -0.0294 149 PRO d O ? ? 1 +38733 C CB A PRO X 138 0.2691 0.8239 0.8255 -0.0503 -0.0880 -0.0295 149 PRO d CB ? ? 1 +38734 C CB B PRO X 138 0.2689 0.8241 0.8259 -0.0503 -0.0879 -0.0293 149 PRO d CB ? ? 1 +38735 C CG A PRO X 138 0.2686 0.8242 0.8196 -0.0445 -0.0885 -0.0267 149 PRO d CG ? ? 1 +38736 C CG B PRO X 138 0.2685 0.8247 0.8202 -0.0447 -0.0886 -0.0267 149 PRO d CG ? ? 1 +38737 C CD A PRO X 138 0.2562 0.8222 0.8178 -0.0440 -0.0881 -0.0239 149 PRO d CD ? ? 1 +38738 C CD B PRO X 138 0.2560 0.8221 0.8178 -0.0439 -0.0878 -0.0236 149 PRO d CD ? ? 1 +38739 N N . ILE X 139 0.2514 0.8268 0.8366 -0.0596 -0.0903 -0.0316 150 ILE d N ? ? 1 +38740 C CA . ILE X 139 0.2490 0.8304 0.8449 -0.0656 -0.0915 -0.0347 150 ILE d CA ? ? 1 +38741 C CB . ILE X 139 0.2480 0.8395 0.8511 -0.0664 -0.0978 -0.0378 150 ILE d CB ? ? 1 +38742 C CG1 . ILE X 139 0.2605 0.8473 0.8550 -0.0658 -0.1031 -0.0417 150 ILE d CG1 ? ? 1 +38743 C CG2 . ILE X 139 0.2424 0.8420 0.8587 -0.0724 -0.0981 -0.0402 150 ILE d CG2 ? ? 1 +38744 C CD1 . ILE X 139 0.2620 0.8573 0.8622 -0.0663 -0.1095 -0.0450 150 ILE d CD1 ? ? 1 +38745 C C . ILE X 139 0.2385 0.8238 0.8430 -0.0673 -0.0865 -0.0315 150 ILE d C ? ? 1 +38746 O O . ILE X 139 0.2391 0.8222 0.8470 -0.0720 -0.0840 -0.0327 150 ILE d O ? ? 1 +38747 N N . ALA X 140 0.2306 0.8210 0.8380 -0.0634 -0.0849 -0.0276 151 ALA d N ? ? 1 +38748 C CA . ALA X 140 0.2222 0.8159 0.8367 -0.0644 -0.0803 -0.0244 151 ALA d CA ? ? 1 +38749 C CB . ALA X 140 0.2141 0.8125 0.8299 -0.0594 -0.0793 -0.0202 151 ALA d CB ? ? 1 +38750 C C . ALA X 140 0.2257 0.8100 0.8349 -0.0653 -0.0751 -0.0229 151 ALA d C ? ? 1 +38751 O O . ALA X 140 0.2230 0.8080 0.8379 -0.0688 -0.0720 -0.0225 151 ALA d O ? ? 1 +38752 N N . VAL X 141 0.2327 0.8081 0.8308 -0.0619 -0.0741 -0.0221 152 VAL d N ? ? 1 +38753 C CA . VAL X 141 0.2367 0.8029 0.8290 -0.0621 -0.0695 -0.0208 152 VAL d CA ? ? 1 +38754 C CB . VAL X 141 0.2419 0.7999 0.8224 -0.0570 -0.0684 -0.0194 152 VAL d CB ? ? 1 +38755 C CG1 . VAL X 141 0.2472 0.7950 0.8213 -0.0574 -0.0643 -0.0190 152 VAL d CG1 ? ? 1 +38756 C CG2 . VAL X 141 0.2340 0.7963 0.8150 -0.0520 -0.0668 -0.0153 152 VAL d CG2 ? ? 1 +38757 C C . VAL X 141 0.2449 0.8059 0.8370 -0.0677 -0.0698 -0.0246 152 VAL d C ? ? 1 +38758 O O . VAL X 141 0.2441 0.8025 0.8387 -0.0704 -0.0662 -0.0238 152 VAL d O ? ? 1 +38759 N N . PHE X 142 0.2546 0.8134 0.8430 -0.0693 -0.0740 -0.0286 153 PHE d N ? ? 1 +38760 C CA . PHE X 142 0.2643 0.8178 0.8521 -0.0749 -0.0744 -0.0325 153 PHE d CA ? ? 1 +38761 C CB . PHE X 142 0.2747 0.8277 0.8592 -0.0763 -0.0801 -0.0371 153 PHE d CB ? ? 1 +38762 C CG . PHE X 142 0.2851 0.8322 0.8689 -0.0824 -0.0804 -0.0413 153 PHE d CG ? ? 1 +38763 C CD1 . PHE X 142 0.2955 0.8297 0.8688 -0.0824 -0.0778 -0.0417 153 PHE d CD1 ? ? 1 +38764 C CD2 . PHE X 142 0.2847 0.8392 0.8787 -0.0883 -0.0829 -0.0449 153 PHE d CD2 ? ? 1 +38765 C CE1 . PHE X 142 0.3052 0.8331 0.8774 -0.0884 -0.0779 -0.0456 153 PHE d CE1 ? ? 1 +38766 C CE2 . PHE X 142 0.2941 0.8429 0.8876 -0.0944 -0.0829 -0.0488 153 PHE d CE2 ? ? 1 +38767 C CZ . PHE X 142 0.3044 0.8396 0.8868 -0.0946 -0.0804 -0.0492 153 PHE d CZ ? ? 1 +38768 C C . PHE X 142 0.2582 0.8184 0.8577 -0.0804 -0.0732 -0.0332 153 PHE d C ? ? 1 +38769 O O . PHE X 142 0.2618 0.8160 0.8609 -0.0841 -0.0699 -0.0336 153 PHE d O ? ? 1 +38770 N N . VAL X 143 0.2496 0.8216 0.8591 -0.0806 -0.0757 -0.0332 154 VAL d N ? ? 1 +38771 C CA . VAL X 143 0.2441 0.8236 0.8653 -0.0858 -0.0749 -0.0343 154 VAL d CA ? ? 1 +38772 C CB . VAL X 143 0.2369 0.8296 0.8679 -0.0851 -0.0791 -0.0352 154 VAL d CB ? ? 1 +38773 C CG1 . VAL X 143 0.2291 0.8304 0.8725 -0.0890 -0.0770 -0.0351 154 VAL d CG1 ? ? 1 +38774 C CG2 . VAL X 143 0.2436 0.8386 0.8742 -0.0866 -0.0852 -0.0401 154 VAL d CG2 ? ? 1 +38775 C C . VAL X 143 0.2373 0.8154 0.8610 -0.0860 -0.0690 -0.0305 154 VAL d C ? ? 1 +38776 O O . VAL X 143 0.2373 0.8140 0.8651 -0.0910 -0.0664 -0.0315 154 VAL d O ? ? 1 +38777 N N . SER X 144 0.2317 0.8104 0.8531 -0.0805 -0.0671 -0.0261 155 SER d N ? ? 1 +38778 C CA . SER X 144 0.2251 0.8031 0.8487 -0.0799 -0.0620 -0.0223 155 SER d CA ? ? 1 +38779 C CB . SER X 144 0.2185 0.8000 0.8415 -0.0739 -0.0612 -0.0182 155 SER d CB ? ? 1 +38780 O OG . SER X 144 0.2254 0.8002 0.8381 -0.0693 -0.0614 -0.0171 155 SER d OG ? ? 1 +38781 C C . SER X 144 0.2312 0.7971 0.8470 -0.0811 -0.0581 -0.0219 155 SER d C ? ? 1 +38782 O O . SER X 144 0.2292 0.7934 0.8478 -0.0838 -0.0544 -0.0208 155 SER d O ? ? 1 +38783 N N . VAL X 145 0.2404 0.7975 0.8458 -0.0790 -0.0589 -0.0228 156 VAL d N ? ? 1 +38784 C CA . VAL X 145 0.2497 0.7947 0.8463 -0.0786 -0.0553 -0.0220 156 VAL d CA ? ? 1 +38785 C CB . VAL X 145 0.2554 0.7934 0.8411 -0.0730 -0.0556 -0.0210 156 VAL d CB ? ? 1 +38786 C CG1 . VAL X 145 0.2649 0.7900 0.8412 -0.0726 -0.0521 -0.0207 156 VAL d CG1 ? ? 1 +38787 C CG2 . VAL X 145 0.2463 0.7899 0.8331 -0.0672 -0.0547 -0.0171 156 VAL d CG2 ? ? 1 +38788 C C . VAL X 145 0.2606 0.7989 0.8557 -0.0848 -0.0552 -0.0258 156 VAL d C ? ? 1 +38789 O O . VAL X 145 0.2646 0.7957 0.8575 -0.0869 -0.0514 -0.0250 156 VAL d O ? ? 1 +38790 N N . PHE X 146 0.2670 0.8069 0.8626 -0.0875 -0.0595 -0.0299 157 PHE d N ? ? 1 +38791 C CA . PHE X 146 0.2791 0.8120 0.8725 -0.0934 -0.0597 -0.0339 157 PHE d CA ? ? 1 +38792 C CB . PHE X 146 0.2904 0.8207 0.8780 -0.0932 -0.0645 -0.0378 157 PHE d CB ? ? 1 +38793 C CG . PHE X 146 0.2993 0.8191 0.8739 -0.0879 -0.0635 -0.0364 157 PHE d CG ? ? 1 +38794 C CD2 . PHE X 146 0.3124 0.8191 0.8778 -0.0895 -0.0615 -0.0378 157 PHE d CD2 ? ? 1 +38795 C CD1 . PHE X 146 0.2962 0.8190 0.8678 -0.0814 -0.0644 -0.0336 157 PHE d CD1 ? ? 1 +38796 C CE2 . PHE X 146 0.3208 0.8180 0.8744 -0.0843 -0.0605 -0.0367 157 PHE d CE2 ? ? 1 +38797 C CE1 . PHE X 146 0.3041 0.8176 0.8642 -0.0765 -0.0631 -0.0324 157 PHE d CE1 ? ? 1 +38798 C CZ . PHE X 146 0.3162 0.8172 0.8675 -0.0778 -0.0612 -0.0340 157 PHE d CZ ? ? 1 +38799 C C . PHE X 146 0.2749 0.8147 0.8794 -0.1002 -0.0596 -0.0362 157 PHE d C ? ? 1 +38800 O O . PHE X 146 0.2840 0.8172 0.8871 -0.1057 -0.0584 -0.0389 157 PHE d O ? ? 1 +38801 N N . LEU X 147 0.2616 0.8143 0.8769 -0.0999 -0.0608 -0.0352 158 LEU d N ? ? 1 +38802 C CA . LEU X 147 0.2569 0.8175 0.8836 -0.1060 -0.0608 -0.0375 158 LEU d CA ? ? 1 +38803 C CB . LEU X 147 0.2549 0.8268 0.8890 -0.1068 -0.0667 -0.0410 158 LEU d CB ? ? 1 +38804 C CG . LEU X 147 0.2663 0.8334 0.8944 -0.1082 -0.0711 -0.0454 158 LEU d CG ? ? 1 +38805 C CD1 . LEU X 147 0.2640 0.8429 0.8999 -0.1087 -0.0772 -0.0488 158 LEU d CD1 ? ? 1 +38806 C CD2 . LEU X 147 0.2773 0.8356 0.9032 -0.1151 -0.0692 -0.0488 158 LEU d CD2 ? ? 1 +38807 C C . LEU X 147 0.2446 0.8110 0.8786 -0.1057 -0.0569 -0.0339 158 LEU d C ? ? 1 +38808 O O . LEU X 147 0.2452 0.8083 0.8813 -0.1101 -0.0529 -0.0338 158 LEU d O ? ? 1 +38809 N N . ILE X 148 0.2335 0.8076 0.8705 -0.1004 -0.0578 -0.0308 159 ILE d N ? ? 1 +38810 C CA . ILE X 148 0.2230 0.8032 0.8673 -0.1001 -0.0545 -0.0276 159 ILE d CA ? ? 1 +38811 C CB . ILE X 148 0.2127 0.8020 0.8606 -0.0945 -0.0565 -0.0250 159 ILE d CB ? ? 1 +38812 C CG1 . ILE X 148 0.2108 0.8102 0.8654 -0.0950 -0.0620 -0.0281 159 ILE d CG1 ? ? 1 +38813 C CG2 . ILE X 148 0.2036 0.7977 0.8577 -0.0939 -0.0529 -0.0216 159 ILE d CG2 ? ? 1 +38814 C CD1 . ILE X 148 0.2034 0.8096 0.8593 -0.0895 -0.0643 -0.0259 159 ILE d CD1 ? ? 1 +38815 C C . ILE X 148 0.2247 0.7947 0.8625 -0.0995 -0.0491 -0.0244 159 ILE d C ? ? 1 +38816 O O . ILE X 148 0.2227 0.7930 0.8649 -0.1031 -0.0455 -0.0238 159 ILE d O ? ? 1 +38817 N N . TYR X 149 0.2283 0.7894 0.8554 -0.0949 -0.0484 -0.0225 160 TYR d N ? ? 1 +38818 C CA . TYR X 149 0.2298 0.7816 0.8505 -0.0932 -0.0437 -0.0193 160 TYR d CA ? ? 1 +38819 C CB . TYR X 149 0.2349 0.7783 0.8444 -0.0875 -0.0438 -0.0177 160 TYR d CB ? ? 1 +38820 C CG . TYR X 149 0.2385 0.7721 0.8413 -0.0858 -0.0393 -0.0149 160 TYR d CG ? ? 1 +38821 C CD1 . TYR X 149 0.2306 0.7675 0.8365 -0.0832 -0.0366 -0.0111 160 TYR d CD1 ? ? 1 +38822 C CD2 . TYR X 149 0.2511 0.7718 0.8445 -0.0870 -0.0378 -0.0161 160 TYR d CD2 ? ? 1 +38823 C CE1 . TYR X 149 0.2350 0.7629 0.8347 -0.0815 -0.0329 -0.0087 160 TYR d CE1 ? ? 1 +38824 C CE2 . TYR X 149 0.2557 0.7671 0.8427 -0.0852 -0.0338 -0.0136 160 TYR d CE2 ? ? 1 +38825 C CZ . TYR X 149 0.2477 0.7628 0.8378 -0.0823 -0.0315 -0.0099 160 TYR d CZ ? ? 1 +38826 O OH . TYR X 149 0.2532 0.7591 0.8367 -0.0801 -0.0279 -0.0074 160 TYR d OH ? ? 1 +38827 C C . TYR X 149 0.2373 0.7805 0.8559 -0.0990 -0.0405 -0.0209 160 TYR d C ? ? 1 +38828 O O . TYR X 149 0.2346 0.7766 0.8550 -0.1002 -0.0366 -0.0187 160 TYR d O ? ? 1 +38829 N N . PRO X 150 0.2479 0.7840 0.8619 -0.1028 -0.0416 -0.0245 161 PRO d N ? ? 1 +38830 C CA . PRO X 150 0.2570 0.7851 0.8697 -0.1090 -0.0384 -0.0262 161 PRO d CA ? ? 1 +38831 C CB . PRO X 150 0.2692 0.7901 0.8758 -0.1117 -0.0409 -0.0304 161 PRO d CB ? ? 1 +38832 C CG . PRO X 150 0.2646 0.7943 0.8740 -0.1088 -0.0463 -0.0319 161 PRO d CG ? ? 1 +38833 C CD . PRO X 150 0.2536 0.7887 0.8634 -0.1016 -0.0460 -0.0274 161 PRO d CD ? ? 1 +38834 C C . PRO X 150 0.2521 0.7888 0.8763 -0.1151 -0.0372 -0.0277 161 PRO d C ? ? 1 +38835 O O . PRO X 150 0.2573 0.7882 0.8808 -0.1189 -0.0329 -0.0272 161 PRO d O ? ? 1 +38836 N N . LEU X 151 0.2428 0.7930 0.8773 -0.1158 -0.0409 -0.0295 162 LEU d N ? ? 1 +38837 C CA . LEU X 151 0.2373 0.7970 0.8837 -0.1211 -0.0400 -0.0310 162 LEU d CA ? ? 1 +38838 C CB . LEU X 151 0.2300 0.8039 0.8864 -0.1210 -0.0453 -0.0338 162 LEU d CB ? ? 1 +38839 C CG . LEU X 151 0.2379 0.8115 0.8945 -0.1250 -0.0494 -0.0390 162 LEU d CG ? ? 1 +38840 C CD1 . LEU X 151 0.2318 0.8176 0.8949 -0.1225 -0.0553 -0.0409 162 LEU d CD1 ? ? 1 +38841 C CD2 . LEU X 151 0.2437 0.8173 0.9064 -0.1335 -0.0472 -0.0426 162 LEU d CD2 ? ? 1 +38842 C C . LEU X 151 0.2285 0.7909 0.8782 -0.1193 -0.0358 -0.0269 162 LEU d C ? ? 1 +38843 O O . LEU X 151 0.2271 0.7921 0.8831 -0.1241 -0.0328 -0.0274 162 LEU d O ? ? 1 +38844 N N . GLY X 152 0.2232 0.7846 0.8682 -0.1125 -0.0357 -0.0229 163 GLY d N ? ? 1 +38845 C CA . GLY X 152 0.2170 0.7791 0.8632 -0.1104 -0.0319 -0.0189 163 GLY d CA ? ? 1 +38846 C C . GLY X 152 0.2256 0.7743 0.8631 -0.1116 -0.0270 -0.0171 163 GLY d C ? ? 1 +38847 O O . GLY X 152 0.2228 0.7713 0.8622 -0.1125 -0.0233 -0.0150 163 GLY d O ? ? 1 +38848 N N . GLN X 153 0.2369 0.7739 0.8642 -0.1113 -0.0271 -0.0181 164 GLN d N ? ? 1 +38849 C CA . GLN X 153 0.2477 0.7704 0.8650 -0.1116 -0.0229 -0.0164 164 GLN d CA ? ? 1 +38850 C CB . GLN X 153 0.2542 0.7671 0.8601 -0.1068 -0.0243 -0.0160 164 GLN d CB ? ? 1 +38851 C CG . GLN X 153 0.2452 0.7627 0.8498 -0.0989 -0.0260 -0.0128 164 GLN d CG ? ? 1 +38852 C CD . GLN X 153 0.2402 0.7567 0.8438 -0.0954 -0.0228 -0.0086 164 GLN d CD ? ? 1 +38853 O OE1 . GLN X 153 0.2468 0.7544 0.8456 -0.0970 -0.0191 -0.0075 164 GLN d OE1 ? ? 1 +38854 N NE2 . GLN X 153 0.2298 0.7551 0.8375 -0.0905 -0.0241 -0.0061 164 GLN d NE2 ? ? 1 +38855 C C . GLN X 153 0.2594 0.7767 0.8775 -0.1196 -0.0204 -0.0195 164 GLN d C ? ? 1 +38856 O O . GLN X 153 0.2581 0.7845 0.8860 -0.1246 -0.0215 -0.0224 164 GLN d O ? ? 1 +38857 N N . SER X 154 0.2727 0.7752 0.8805 -0.1208 -0.0170 -0.0189 165 SER d N ? ? 1 +38858 C CA . SER X 154 0.2835 0.7792 0.8910 -0.1285 -0.0135 -0.0212 165 SER d CA ? ? 1 +38859 C CB . SER X 154 0.2939 0.7731 0.8890 -0.1276 -0.0091 -0.0187 165 SER d CB ? ? 1 +38860 O OG . SER X 154 0.3027 0.7713 0.8870 -0.1244 -0.0106 -0.0192 165 SER d OG ? ? 1 +38861 C C . SER X 154 0.2936 0.7885 0.9023 -0.1339 -0.0161 -0.0262 165 SER d C ? ? 1 +38862 O O . SER X 154 0.2991 0.7951 0.9133 -0.1414 -0.0144 -0.0291 165 SER d O ? ? 1 +38863 N N . SER X 155 0.2976 0.7904 0.9011 -0.1303 -0.0201 -0.0274 166 SER d N ? ? 1 +38864 C CA . SER X 155 0.3072 0.7971 0.9095 -0.1347 -0.0228 -0.0321 166 SER d CA ? ? 1 +38865 C CB . SER X 155 0.3237 0.7965 0.9156 -0.1387 -0.0191 -0.0331 166 SER d CB ? ? 1 +38866 O OG . SER X 155 0.3294 0.7904 0.9084 -0.1323 -0.0185 -0.0303 166 SER d OG ? ? 1 +38867 C C . SER X 155 0.3075 0.7980 0.9051 -0.1292 -0.0277 -0.0328 166 SER d C ? ? 1 +38868 O O . SER X 155 0.3013 0.7930 0.8956 -0.1220 -0.0283 -0.0294 166 SER d O ? ? 1 +38869 N N . TRP X 156 0.3156 0.8049 0.9128 -0.1329 -0.0310 -0.0374 167 TRP d N ? ? 1 +38870 C CA . TRP X 156 0.3187 0.8064 0.9097 -0.1282 -0.0353 -0.0384 167 TRP d CA ? ? 1 +38871 C CB . TRP X 156 0.3274 0.8137 0.9186 -0.1336 -0.0388 -0.0440 167 TRP d CB ? ? 1 +38872 C CG . TRP X 156 0.3215 0.8222 0.9263 -0.1388 -0.0419 -0.0476 167 TRP d CG ? ? 1 +38873 C CD1 . TRP X 156 0.3275 0.8286 0.9378 -0.1472 -0.0417 -0.0520 167 TRP d CD1 ? ? 1 +38874 N NE1 . TRP X 156 0.3195 0.8364 0.9430 -0.1494 -0.0455 -0.0547 167 TRP d NE1 ? ? 1 +38875 C CE2 . TRP X 156 0.3075 0.8337 0.9334 -0.1422 -0.0483 -0.0519 167 TRP d CE2 ? ? 1 +38876 C CZ2 . TRP X 156 0.2964 0.8386 0.9334 -0.1410 -0.0526 -0.0529 167 TRP d CZ2 ? ? 1 +38877 C CH2 . TRP X 156 0.2869 0.8344 0.9229 -0.1332 -0.0543 -0.0493 167 TRP d CH2 ? ? 1 +38878 C CZ3 . TRP X 156 0.2873 0.8255 0.9124 -0.1271 -0.0520 -0.0450 167 TRP d CZ3 ? ? 1 +38879 C CE3 . TRP X 156 0.2981 0.8211 0.9126 -0.1281 -0.0480 -0.0441 167 TRP d CE3 ? ? 1 +38880 C CD2 . TRP X 156 0.3085 0.8248 0.9228 -0.1357 -0.0461 -0.0475 167 TRP d CD2 ? ? 1 +38881 C C . TRP X 156 0.3279 0.8012 0.9046 -0.1227 -0.0333 -0.0358 167 TRP d C ? ? 1 +38882 O O . TRP X 156 0.3278 0.8005 0.8992 -0.1172 -0.0361 -0.0355 167 TRP d O ? ? 1 +38883 N N . PHE X 157 0.3376 0.7990 0.9078 -0.1243 -0.0284 -0.0342 168 PHE d N ? ? 1 +38884 C CA . PHE X 157 0.3488 0.7955 0.9053 -0.1195 -0.0264 -0.0320 168 PHE d CA ? ? 1 +38885 C CB . PHE X 157 0.3564 0.7918 0.9080 -0.1220 -0.0208 -0.0300 168 PHE d CB ? ? 1 +38886 C CG . PHE X 157 0.3668 0.7863 0.9040 -0.1169 -0.0184 -0.0278 168 PHE d CG ? ? 1 +38887 C CD1 . PHE X 157 0.3831 0.7881 0.9100 -0.1192 -0.0180 -0.0305 168 PHE d CD1 ? ? 1 +38888 C CD2 . PHE X 157 0.3611 0.7804 0.8953 -0.1096 -0.0169 -0.0233 168 PHE d CD2 ? ? 1 +38889 C CE1 . PHE X 157 0.3927 0.7832 0.9063 -0.1140 -0.0159 -0.0285 168 PHE d CE1 ? ? 1 +38890 C CE2 . PHE X 157 0.3703 0.7756 0.8917 -0.1046 -0.0150 -0.0214 168 PHE d CE2 ? ? 1 +38891 C CZ . PHE X 157 0.3858 0.7768 0.8970 -0.1067 -0.0145 -0.0240 168 PHE d CZ ? ? 1 +38892 C C . PHE X 157 0.3419 0.7926 0.8962 -0.1104 -0.0273 -0.0281 168 PHE d C ? ? 1 +38893 O O . PHE X 157 0.3463 0.7892 0.8911 -0.1054 -0.0280 -0.0277 168 PHE d O ? ? 1 +38894 N N . PHE X 158 0.3311 0.7943 0.8948 -0.1085 -0.0273 -0.0255 169 PHE d N ? ? 1 +38895 C CA . PHE X 158 0.3256 0.7934 0.8886 -0.1006 -0.0277 -0.0217 169 PHE d CA ? ? 1 +38896 C CB . PHE X 158 0.3168 0.7909 0.8865 -0.1003 -0.0249 -0.0183 169 PHE d CB ? ? 1 +38897 C CG . PHE X 158 0.3259 0.7874 0.8883 -0.1012 -0.0202 -0.0165 169 PHE d CG ? ? 1 +38898 C CD1 . PHE X 158 0.3313 0.7828 0.8835 -0.0952 -0.0186 -0.0138 169 PHE d CD1 ? ? 1 +38899 C CD2 . PHE X 158 0.3302 0.7894 0.8957 -0.1081 -0.0174 -0.0175 169 PHE d CD2 ? ? 1 +38900 C CE1 . PHE X 158 0.3406 0.7799 0.8853 -0.0957 -0.0145 -0.0122 169 PHE d CE1 ? ? 1 +38901 C CE2 . PHE X 158 0.3397 0.7863 0.8974 -0.1088 -0.0130 -0.0157 169 PHE d CE2 ? ? 1 +38902 C CZ . PHE X 158 0.3458 0.7821 0.8928 -0.1025 -0.0118 -0.0130 169 PHE d CZ ? ? 1 +38903 C C . PHE X 158 0.3205 0.7988 0.8874 -0.0973 -0.0323 -0.0226 169 PHE d C ? ? 1 +38904 O O . PHE X 158 0.3213 0.8026 0.8867 -0.0907 -0.0327 -0.0197 169 PHE d O ? ? 1 +38905 N N . ALA X 159 0.3216 0.8045 0.8928 -0.1017 -0.0357 -0.0266 170 ALA d N ? ? 1 +38906 C CA . ALA X 159 0.3178 0.8071 0.8894 -0.0985 -0.0403 -0.0279 170 ALA d CA ? ? 1 +38907 C CB . ALA X 159 0.3215 0.8149 0.8978 -0.1043 -0.0441 -0.0329 170 ALA d CB ? ? 1 +38908 C C . ALA X 159 0.3251 0.8037 0.8843 -0.0931 -0.0402 -0.0274 170 ALA d C ? ? 1 +38909 O O . ALA X 159 0.3354 0.8014 0.8859 -0.0930 -0.0372 -0.0269 170 ALA d O ? ? 1 +38910 N N . PRO X 160 0.3207 0.8035 0.8781 -0.0885 -0.0435 -0.0275 171 PRO d N ? ? 1 +38911 C CA . PRO X 160 0.3291 0.8015 0.8744 -0.0842 -0.0436 -0.0279 171 PRO d CA ? ? 1 +38912 C CB . PRO X 160 0.3217 0.8026 0.8682 -0.0786 -0.0463 -0.0266 171 PRO d CB ? ? 1 +38913 C CG . PRO X 160 0.3122 0.8067 0.8704 -0.0815 -0.0492 -0.0274 171 PRO d CG ? ? 1 +38914 C CD . PRO X 160 0.3096 0.8064 0.8755 -0.0870 -0.0469 -0.0272 171 PRO d CD ? ? 1 +38915 C C . PRO X 160 0.3408 0.8045 0.8803 -0.0889 -0.0455 -0.0326 171 PRO d C ? ? 1 +38916 O O . PRO X 160 0.3409 0.8105 0.8863 -0.0938 -0.0488 -0.0361 171 PRO d O ? ? 1 +38917 N N . SER X 161 0.3493 0.7989 0.8774 -0.0872 -0.0433 -0.0328 172 SER d N ? ? 1 +38918 C CA . SER X 161 0.3607 0.8002 0.8807 -0.0902 -0.0450 -0.0371 172 SER d CA ? ? 1 +38919 C CB . SER X 161 0.3719 0.7954 0.8815 -0.0901 -0.0411 -0.0366 172 SER d CB ? ? 1 +38920 O OG . SER X 161 0.3713 0.7936 0.8855 -0.0950 -0.0380 -0.0358 172 SER d OG ? ? 1 +38921 C C . SER X 161 0.3609 0.8014 0.8756 -0.0856 -0.0485 -0.0383 172 SER d C ? ? 1 +38922 O O . SER X 161 0.3561 0.7999 0.8692 -0.0790 -0.0479 -0.0351 172 SER d O ? ? 1 +38923 N N . PHE X 162 0.3676 0.8054 0.8794 -0.0892 -0.0522 -0.0429 173 PHE d N ? ? 1 +38924 C CA . PHE X 162 0.3683 0.8073 0.8751 -0.0855 -0.0560 -0.0446 173 PHE d CA ? ? 1 +38925 C CB . PHE X 162 0.3735 0.8162 0.8838 -0.0913 -0.0611 -0.0497 173 PHE d CB ? ? 1 +38926 C CG . PHE X 162 0.3619 0.8201 0.8864 -0.0948 -0.0637 -0.0501 173 PHE d CG ? ? 1 +38927 C CD1 . PHE X 162 0.3512 0.8210 0.8807 -0.0904 -0.0661 -0.0482 173 PHE d CD1 ? ? 1 +38928 C CD2 . PHE X 162 0.3624 0.8232 0.8953 -0.1024 -0.0634 -0.0524 173 PHE d CD2 ? ? 1 +38929 C CE1 . PHE X 162 0.3407 0.8243 0.8831 -0.0933 -0.0686 -0.0486 173 PHE d CE1 ? ? 1 +38930 C CE2 . PHE X 162 0.3510 0.8264 0.8973 -0.1053 -0.0657 -0.0529 173 PHE d CE2 ? ? 1 +38931 C CZ . PHE X 162 0.3405 0.8272 0.8914 -0.1006 -0.0684 -0.0510 173 PHE d CZ ? ? 1 +38932 C C . PHE X 162 0.3786 0.8032 0.8710 -0.0812 -0.0543 -0.0447 173 PHE d C ? ? 1 +38933 O O . PHE X 162 0.3909 0.8057 0.8758 -0.0841 -0.0556 -0.0486 173 PHE d O ? ? 1 +38934 N N . GLY X 163 0.3724 0.7960 0.8612 -0.0743 -0.0512 -0.0406 174 GLY d N ? ? 1 +38935 C CA . GLY X 163 0.3814 0.7926 0.8572 -0.0692 -0.0492 -0.0404 174 GLY d CA ? ? 1 +38936 C C . GLY X 163 0.3717 0.7867 0.8469 -0.0614 -0.0465 -0.0358 174 GLY d C ? ? 1 +38937 O O . GLY X 163 0.3574 0.7826 0.8419 -0.0605 -0.0455 -0.0326 174 GLY d O ? ? 1 +38938 N N . VAL X 164 0.3794 0.7860 0.8438 -0.0558 -0.0453 -0.0358 175 VAL d N ? ? 1 +38939 C CA . VAL X 164 0.3719 0.7825 0.8357 -0.0484 -0.0429 -0.0320 175 VAL d CA ? ? 1 +38940 C CB . VAL X 164 0.3837 0.7854 0.8351 -0.0432 -0.0426 -0.0332 175 VAL d CB ? ? 1 +38941 C CG1 . VAL X 164 0.3787 0.7836 0.8293 -0.0356 -0.0392 -0.0294 175 VAL d CG1 ? ? 1 +38942 C CG2 . VAL X 164 0.3874 0.7914 0.8363 -0.0446 -0.0470 -0.0364 175 VAL d CG2 ? ? 1 +38943 C C . VAL X 164 0.3653 0.7756 0.8323 -0.0463 -0.0387 -0.0282 175 VAL d C ? ? 1 +38944 O O . VAL X 164 0.3517 0.7727 0.8275 -0.0447 -0.0379 -0.0250 175 VAL d O ? ? 1 +38945 N N . ALA X 165 0.3761 0.7735 0.8354 -0.0463 -0.0362 -0.0288 176 ALA d N ? ? 1 +38946 C CA . ALA X 165 0.3733 0.7686 0.8341 -0.0442 -0.0325 -0.0255 176 ALA d CA ? ? 1 +38947 C CB . ALA X 165 0.3885 0.7673 0.8376 -0.0430 -0.0302 -0.0267 176 ALA d CB ? ? 1 +38948 C C . ALA X 165 0.3651 0.7671 0.8363 -0.0498 -0.0325 -0.0245 176 ALA d C ? ? 1 +38949 O O . ALA X 165 0.3577 0.7638 0.8337 -0.0477 -0.0302 -0.0211 176 ALA d O ? ? 1 +38950 N N . ALA X 166 0.3675 0.7709 0.8422 -0.0569 -0.0351 -0.0275 177 ALA d N ? ? 1 +38951 C CA . ALA X 166 0.3595 0.7698 0.8444 -0.0625 -0.0351 -0.0269 177 ALA d CA ? ? 1 +38952 C CB . ALA X 166 0.3649 0.7743 0.8518 -0.0703 -0.0379 -0.0312 177 ALA d CB ? ? 1 +38953 C C . ALA X 166 0.3432 0.7693 0.8392 -0.0606 -0.0359 -0.0240 177 ALA d C ? ? 1 +38954 O O . ALA X 166 0.3351 0.7661 0.8378 -0.0611 -0.0339 -0.0213 177 ALA d O ? ? 1 +38955 N N . ILE X 167 0.3398 0.7734 0.8373 -0.0583 -0.0387 -0.0246 178 ILE d N ? ? 1 +38956 C CA . ILE X 167 0.3256 0.7729 0.8321 -0.0556 -0.0393 -0.0217 178 ILE d CA ? ? 1 +38957 C CB . ILE X 167 0.3259 0.7785 0.8315 -0.0542 -0.0429 -0.0234 178 ILE d CB ? ? 1 +38958 C CG1 . ILE X 167 0.3267 0.7838 0.8374 -0.0607 -0.0470 -0.0270 178 ILE d CG1 ? ? 1 +38959 C CG2 . ILE X 167 0.3144 0.7780 0.8256 -0.0495 -0.0426 -0.0201 178 ILE d CG2 ? ? 1 +38960 C CD1 . ILE X 167 0.3139 0.7834 0.8375 -0.0639 -0.0478 -0.0258 178 ILE d CD1 ? ? 1 +38961 C C . ILE X 167 0.3208 0.7688 0.8266 -0.0492 -0.0358 -0.0176 178 ILE d C ? ? 1 +38962 O O . ILE X 167 0.3093 0.7666 0.8237 -0.0487 -0.0349 -0.0148 178 ILE d O ? ? 1 +38963 N N . PHE X 168 0.3291 0.7675 0.8251 -0.0444 -0.0338 -0.0173 179 PHE d N ? ? 1 +38964 C CA . PHE X 168 0.3248 0.7638 0.8206 -0.0385 -0.0305 -0.0137 179 PHE d CA ? ? 1 +38965 C CB . PHE X 168 0.3356 0.7637 0.8200 -0.0330 -0.0285 -0.0142 179 PHE d CB ? ? 1 +38966 C CG . PHE X 168 0.3390 0.7668 0.8180 -0.0303 -0.0300 -0.0158 179 PHE d CG ? ? 1 +38967 C CD1 . PHE X 168 0.3297 0.7685 0.8144 -0.0303 -0.0322 -0.0155 179 PHE d CD1 ? ? 1 +38968 C CD2 . PHE X 168 0.3523 0.7683 0.8197 -0.0275 -0.0292 -0.0178 179 PHE d CD2 ? ? 1 +38969 C CE1 . PHE X 168 0.3340 0.7718 0.8128 -0.0277 -0.0334 -0.0169 179 PHE d CE1 ? ? 1 +38970 C CE2 . PHE X 168 0.3566 0.7718 0.8183 -0.0251 -0.0304 -0.0194 179 PHE d CE2 ? ? 1 +38971 C CZ . PHE X 168 0.3474 0.7734 0.8147 -0.0252 -0.0325 -0.0190 179 PHE d CZ ? ? 1 +38972 C C . PHE X 168 0.3221 0.7603 0.8221 -0.0405 -0.0284 -0.0118 179 PHE d C ? ? 1 +38973 O O . PHE X 168 0.3130 0.7586 0.8192 -0.0379 -0.0270 -0.0087 179 PHE d O ? ? 1 +38974 N N . ARG X 169 0.3314 0.7603 0.8277 -0.0453 -0.0281 -0.0138 180 ARG d N ? ? 1 +38975 C CA . ARG X 169 0.3298 0.7571 0.8294 -0.0479 -0.0260 -0.0121 180 ARG d CA ? ? 1 +38976 C CB . ARG X 169 0.3427 0.7580 0.8365 -0.0536 -0.0256 -0.0149 180 ARG d CB ? ? 1 +38977 C CG . ARG X 169 0.3417 0.7558 0.8394 -0.0580 -0.0237 -0.0138 180 ARG d CG ? ? 1 +38978 C CD . ARG X 169 0.3349 0.7588 0.8428 -0.0649 -0.0257 -0.0154 180 ARG d CD ? ? 1 +38979 N NE . ARG X 169 0.3343 0.7566 0.8457 -0.0697 -0.0235 -0.0146 180 ARG d NE ? ? 1 +38980 C CZ . ARG X 169 0.3244 0.7577 0.8467 -0.0738 -0.0241 -0.0144 180 ARG d CZ ? ? 1 +38981 N NH1 . ARG X 169 0.3165 0.7615 0.8466 -0.0753 -0.0274 -0.0158 180 ARG d NH1 ? ? 1 +38982 N NH2 . ARG X 169 0.3233 0.7556 0.8482 -0.0762 -0.0214 -0.0125 180 ARG d NH2 ? ? 1 +38983 C C . ARG X 169 0.3153 0.7566 0.8274 -0.0507 -0.0270 -0.0106 180 ARG d C ? ? 1 +38984 O O . ARG X 169 0.3070 0.7520 0.8235 -0.0491 -0.0252 -0.0076 180 ARG d O ? ? 1 +38985 N N . PHE X 170 0.3126 0.7614 0.8300 -0.0544 -0.0301 -0.0128 181 PHE d N ? ? 1 +38986 C CA . PHE X 170 0.2998 0.7620 0.8291 -0.0571 -0.0314 -0.0118 181 PHE d CA ? ? 1 +38987 C CB . PHE X 170 0.3002 0.7684 0.8329 -0.0607 -0.0353 -0.0149 181 PHE d CB ? ? 1 +38988 C CG . PHE X 170 0.2911 0.7710 0.8355 -0.0650 -0.0368 -0.0149 181 PHE d CG ? ? 1 +38989 C CD1 . PHE X 170 0.2936 0.7723 0.8420 -0.0711 -0.0359 -0.0160 181 PHE d CD1 ? ? 1 +38990 C CD2 . PHE X 170 0.2812 0.7730 0.8324 -0.0630 -0.0390 -0.0139 181 PHE d CD2 ? ? 1 +38991 C CE1 . PHE X 170 0.2838 0.7737 0.8433 -0.0749 -0.0372 -0.0162 181 PHE d CE1 ? ? 1 +38992 C CE2 . PHE X 170 0.2722 0.7746 0.8339 -0.0667 -0.0405 -0.0140 181 PHE d CE2 ? ? 1 +38993 C CZ . PHE X 170 0.2733 0.7751 0.8394 -0.0725 -0.0396 -0.0152 181 PHE d CZ ? ? 1 +38994 C C . PHE X 170 0.2871 0.7584 0.8211 -0.0515 -0.0306 -0.0081 181 PHE d C ? ? 1 +38995 O O . PHE X 170 0.2777 0.7553 0.8188 -0.0521 -0.0295 -0.0058 181 PHE d O ? ? 1 +38996 N N . LEU X 171 0.2874 0.7588 0.8170 -0.0462 -0.0309 -0.0076 182 LEU d N ? ? 1 +38997 C CA . LEU X 171 0.2766 0.7560 0.8102 -0.0408 -0.0298 -0.0043 182 LEU d CA ? ? 1 +38998 C CB . LEU X 171 0.2821 0.7591 0.8090 -0.0353 -0.0296 -0.0044 182 LEU d CB ? ? 1 +38999 C CG . LEU X 171 0.2876 0.7650 0.8116 -0.0365 -0.0325 -0.0071 182 LEU d CG ? ? 1 +39000 C CD1 . LEU X 171 0.2929 0.7676 0.8100 -0.0307 -0.0315 -0.0068 182 LEU d CD1 ? ? 1 +39001 C CD2 . LEU X 171 0.2776 0.7670 0.8107 -0.0391 -0.0352 -0.0070 182 LEU d CD2 ? ? 1 +39002 C C . LEU X 171 0.2719 0.7493 0.8062 -0.0385 -0.0268 -0.0015 182 LEU d C ? ? 1 +39003 O O . LEU X 171 0.2612 0.7473 0.8031 -0.0377 -0.0263 0.0009 182 LEU d O ? ? 1 +39004 N N A LEU X 172 0.2820 0.7474 0.8078 -0.0372 -0.0249 -0.0020 183 LEU d N ? ? 1 +39005 N N B LEU X 172 0.2820 0.7474 0.8078 -0.0372 -0.0249 -0.0020 183 LEU d N ? ? 1 +39006 C CA A LEU X 172 0.2814 0.7432 0.8058 -0.0339 -0.0223 0.0005 183 LEU d CA ? ? 1 +39007 C CA B LEU X 172 0.2814 0.7433 0.8059 -0.0339 -0.0223 0.0005 183 LEU d CA ? ? 1 +39008 C C A LEU X 172 0.2771 0.7398 0.8063 -0.0383 -0.0216 0.0014 183 LEU d C ? ? 1 +39009 C C B LEU X 172 0.2773 0.7397 0.8064 -0.0383 -0.0215 0.0014 183 LEU d C ? ? 1 +39010 O O A LEU X 172 0.2707 0.7369 0.8035 -0.0359 -0.0202 0.0041 183 LEU d O ? ? 1 +39011 O O B LEU X 172 0.2712 0.7366 0.8035 -0.0359 -0.0201 0.0041 183 LEU d O ? ? 1 +39012 C CB A LEU X 172 0.2957 0.7435 0.8086 -0.0310 -0.0208 -0.0005 183 LEU d CB ? ? 1 +39013 C CB B LEU X 172 0.2955 0.7436 0.8084 -0.0307 -0.0207 -0.0004 183 LEU d CB ? ? 1 +39014 C CG A LEU X 172 0.2997 0.7462 0.8071 -0.0258 -0.0209 -0.0013 183 LEU d CG ? ? 1 +39015 C CG B LEU X 172 0.2996 0.7466 0.8073 -0.0256 -0.0209 -0.0011 183 LEU d CG ? ? 1 +39016 C CD1 A LEU X 172 0.3135 0.7464 0.8098 -0.0222 -0.0191 -0.0020 183 LEU d CD1 ? ? 1 +39017 C CD1 B LEU X 172 0.3137 0.7469 0.8101 -0.0219 -0.0190 -0.0019 183 LEU d CD1 ? ? 1 +39018 C CD2 A LEU X 172 0.2884 0.7459 0.8020 -0.0208 -0.0203 0.0013 183 LEU d CD2 ? ? 1 +39019 C CD2 B LEU X 172 0.2883 0.7462 0.8021 -0.0206 -0.0203 0.0014 183 LEU d CD2 ? ? 1 +39020 N N . PHE X 173 0.2808 0.7405 0.8104 -0.0448 -0.0225 -0.0009 184 PHE d N ? ? 1 +39021 C CA . PHE X 173 0.2758 0.7376 0.8109 -0.0497 -0.0217 -0.0003 184 PHE d CA ? ? 1 +39022 C CB . PHE X 173 0.2821 0.7403 0.8172 -0.0569 -0.0227 -0.0037 184 PHE d CB ? ? 1 +39023 C CG . PHE X 173 0.2795 0.7396 0.8203 -0.0625 -0.0215 -0.0034 184 PHE d CG ? ? 1 +39024 C CD1 . PHE X 173 0.2670 0.7401 0.8188 -0.0646 -0.0226 -0.0027 184 PHE d CD1 ? ? 1 +39025 C CD2 . PHE X 173 0.2904 0.7388 0.8252 -0.0656 -0.0190 -0.0038 184 PHE d CD2 ? ? 1 +39026 C CE1 . PHE X 173 0.2651 0.7399 0.8221 -0.0697 -0.0211 -0.0025 184 PHE d CE1 ? ? 1 +39027 C CE2 . PHE X 173 0.2884 0.7382 0.8282 -0.0708 -0.0174 -0.0035 184 PHE d CE2 ? ? 1 +39028 C CZ . PHE X 173 0.2755 0.7387 0.8265 -0.0728 -0.0184 -0.0029 184 PHE d CZ ? ? 1 +39029 C C . PHE X 173 0.2593 0.7355 0.8054 -0.0493 -0.0226 0.0016 184 PHE d C ? ? 1 +39030 O O . PHE X 173 0.2535 0.7324 0.8034 -0.0491 -0.0211 0.0039 184 PHE d O ? ? 1 +39031 N N . PHE X 174 0.2522 0.7372 0.8028 -0.0491 -0.0251 0.0008 185 PHE d N ? ? 1 +39032 C CA . PHE X 174 0.2382 0.7364 0.7989 -0.0489 -0.0261 0.0025 185 PHE d CA ? ? 1 +39033 C CB . PHE X 174 0.2347 0.7404 0.7987 -0.0495 -0.0291 0.0009 185 PHE d CB ? ? 1 +39034 C CG . PHE X 174 0.2346 0.7441 0.8040 -0.0559 -0.0312 -0.0016 185 PHE d CG ? ? 1 +39035 C CD1 . PHE X 174 0.2440 0.7455 0.8100 -0.0609 -0.0308 -0.0042 185 PHE d CD1 ? ? 1 +39036 C CD2 . PHE X 174 0.2250 0.7462 0.8031 -0.0570 -0.0334 -0.0016 185 PHE d CD2 ? ? 1 +39037 C CE1 . PHE X 174 0.2438 0.7498 0.8159 -0.0669 -0.0326 -0.0067 185 PHE d CE1 ? ? 1 +39038 C CE2 . PHE X 174 0.2248 0.7502 0.8084 -0.0625 -0.0354 -0.0041 185 PHE d CE2 ? ? 1 +39039 C CZ . PHE X 174 0.2337 0.7519 0.8147 -0.0676 -0.0350 -0.0067 185 PHE d CZ ? ? 1 +39040 C C . PHE X 174 0.2307 0.7329 0.7930 -0.0432 -0.0246 0.0059 185 PHE d C ? ? 1 +39041 O O . PHE X 174 0.2209 0.7315 0.7908 -0.0436 -0.0244 0.0077 185 PHE d O ? ? 1 +39042 N N A GLN X 175 0.2356 0.7321 0.7911 -0.0380 -0.0234 0.0065 186 GLN d N ? ? 1 +39043 N N B GLN X 175 0.2356 0.7324 0.7912 -0.0379 -0.0235 0.0065 186 GLN d N ? ? 1 +39044 C CA A GLN X 175 0.2297 0.7298 0.7869 -0.0326 -0.0220 0.0094 186 GLN d CA ? ? 1 +39045 C CA B GLN X 175 0.2301 0.7300 0.7870 -0.0326 -0.0220 0.0093 186 GLN d CA ? ? 1 +39046 C C A GLN X 175 0.2312 0.7269 0.7878 -0.0330 -0.0202 0.0109 186 GLN d C ? ? 1 +39047 C C B GLN X 175 0.2313 0.7271 0.7881 -0.0333 -0.0203 0.0108 186 GLN d C ? ? 1 +39048 O O A GLN X 175 0.2225 0.7252 0.7854 -0.0324 -0.0199 0.0130 186 GLN d O ? ? 1 +39049 O O B GLN X 175 0.2226 0.7256 0.7860 -0.0334 -0.0200 0.0127 186 GLN d O ? ? 1 +39050 C CB A GLN X 175 0.2357 0.7308 0.7859 -0.0269 -0.0211 0.0093 186 GLN d CB ? ? 1 +39051 C CB B GLN X 175 0.2369 0.7312 0.7865 -0.0269 -0.0211 0.0093 186 GLN d CB ? ? 1 +39052 C CG A GLN X 175 0.2307 0.7294 0.7828 -0.0212 -0.0196 0.0120 186 GLN d CG ? ? 1 +39053 C CG B GLN X 175 0.2319 0.7298 0.7833 -0.0209 -0.0195 0.0119 186 GLN d CG ? ? 1 +39054 C CD A GLN X 175 0.2171 0.7286 0.7790 -0.0211 -0.0203 0.0138 186 GLN d CD ? ? 1 +39055 C CD B GLN X 175 0.2183 0.7292 0.7794 -0.0206 -0.0201 0.0137 186 GLN d CD ? ? 1 +39056 O OE1 A GLN X 175 0.2118 0.7301 0.7773 -0.0219 -0.0215 0.0134 186 GLN d OE1 ? ? 1 +39057 O OE1 B GLN X 175 0.2135 0.7309 0.7779 -0.0211 -0.0213 0.0133 186 GLN d OE1 ? ? 1 +39058 N NE2 A GLN X 175 0.2116 0.7262 0.7776 -0.0202 -0.0195 0.0158 186 GLN d NE2 ? ? 1 +39059 N NE2 B GLN X 175 0.2125 0.7267 0.7780 -0.0197 -0.0194 0.0158 186 GLN d NE2 ? ? 1 +39060 N N A GLY X 176 0.2431 0.7267 0.7916 -0.0341 -0.0190 0.0098 187 GLY d N ? ? 1 +39061 N N B GLY X 176 0.2433 0.7268 0.7918 -0.0342 -0.0191 0.0097 187 GLY d N ? ? 1 +39062 C CA A GLY X 176 0.2474 0.7243 0.7929 -0.0338 -0.0171 0.0113 187 GLY d CA ? ? 1 +39063 C CA B GLY X 176 0.2472 0.7245 0.7930 -0.0338 -0.0172 0.0113 187 GLY d CA ? ? 1 +39064 C C A GLY X 176 0.2420 0.7233 0.7939 -0.0388 -0.0168 0.0119 187 GLY d C ? ? 1 +39065 C C B GLY X 176 0.2415 0.7233 0.7938 -0.0388 -0.0169 0.0119 187 GLY d C ? ? 1 +39066 O O A GLY X 176 0.2382 0.7208 0.7919 -0.0371 -0.0158 0.0141 187 GLY d O ? ? 1 +39067 O O B GLY X 176 0.2370 0.7209 0.7916 -0.0372 -0.0159 0.0142 187 GLY d O ? ? 1 +39068 N N . PHE X 177 0.2422 0.7254 0.7973 -0.0449 -0.0178 0.0098 188 PHE d N ? ? 1 +39069 C CA . PHE X 177 0.2388 0.7253 0.7997 -0.0502 -0.0172 0.0099 188 PHE d CA ? ? 1 +39070 C CB . PHE X 177 0.2467 0.7272 0.8055 -0.0566 -0.0172 0.0069 188 PHE d CB ? ? 1 +39071 C CG . PHE X 177 0.2609 0.7260 0.8090 -0.0571 -0.0149 0.0064 188 PHE d CG ? ? 1 +39072 C CD1 . PHE X 177 0.2649 0.7241 0.8111 -0.0597 -0.0123 0.0075 188 PHE d CD1 ? ? 1 +39073 C CD2 . PHE X 177 0.2708 0.7268 0.8101 -0.0546 -0.0152 0.0051 188 PHE d CD2 ? ? 1 +39074 C CE1 . PHE X 177 0.2792 0.7234 0.8149 -0.0601 -0.0102 0.0072 188 PHE d CE1 ? ? 1 +39075 C CE2 . PHE X 177 0.2846 0.7258 0.8136 -0.0548 -0.0131 0.0047 188 PHE d CE2 ? ? 1 +39076 C CZ . PHE X 177 0.2890 0.7242 0.8163 -0.0576 -0.0106 0.0058 188 PHE d CZ ? ? 1 +39077 C C . PHE X 177 0.2257 0.7267 0.7976 -0.0508 -0.0187 0.0107 188 PHE d C ? ? 1 +39078 O O . PHE X 177 0.2211 0.7260 0.7976 -0.0519 -0.0177 0.0124 188 PHE d O ? ? 1 +39079 N N . HIS X 178 0.2216 0.7297 0.7969 -0.0500 -0.0210 0.0098 189 HIS d N ? ? 1 +39080 C CA . HIS X 178 0.2101 0.7311 0.7951 -0.0507 -0.0226 0.0104 189 HIS d CA ? ? 1 +39081 C CB . HIS X 178 0.2104 0.7351 0.7977 -0.0538 -0.0251 0.0076 189 HIS d CB ? ? 1 +39082 C CG . HIS X 178 0.2169 0.7378 0.8044 -0.0602 -0.0252 0.0050 189 HIS d CG ? ? 1 +39083 N ND1 . HIS X 178 0.2145 0.7377 0.8072 -0.0643 -0.0238 0.0052 189 HIS d ND1 ? ? 1 +39084 C CE1 . HIS X 178 0.2215 0.7411 0.8138 -0.0697 -0.0241 0.0023 189 HIS d CE1 ? ? 1 +39085 N NE2 . HIS X 178 0.2282 0.7432 0.8151 -0.0693 -0.0258 0.0001 189 HIS d NE2 ? ? 1 +39086 C CD2 . HIS X 178 0.2260 0.7416 0.8095 -0.0631 -0.0264 0.0019 189 HIS d CD2 ? ? 1 +39087 C C . HIS X 178 0.2025 0.7307 0.7903 -0.0451 -0.0230 0.0126 189 HIS d C ? ? 1 +39088 O O . HIS X 178 0.1927 0.7310 0.7883 -0.0454 -0.0241 0.0135 189 HIS d O ? ? 1 +39089 N N A ASN X 179 0.2073 0.7302 0.7890 -0.0402 -0.0221 0.0135 190 ASN d N ? ? 1 +39090 N N B ASN X 179 0.2070 0.7300 0.7887 -0.0401 -0.0221 0.0135 190 ASN d N ? ? 1 +39091 C CA A ASN X 179 0.2008 0.7301 0.7848 -0.0350 -0.0223 0.0153 190 ASN d CA ? ? 1 +39092 C CA B ASN X 179 0.2005 0.7299 0.7845 -0.0350 -0.0223 0.0154 190 ASN d CA ? ? 1 +39093 C C A ASN X 179 0.1954 0.7333 0.7843 -0.0357 -0.0243 0.0147 190 ASN d C ? ? 1 +39094 C C B ASN X 179 0.1953 0.7331 0.7839 -0.0353 -0.0242 0.0147 190 ASN d C ? ? 1 +39095 O O A ASN X 179 0.1860 0.7329 0.7814 -0.0344 -0.0247 0.0163 190 ASN d O ? ? 1 +39096 O O B ASN X 179 0.1862 0.7326 0.7807 -0.0334 -0.0245 0.0164 190 ASN d O ? ? 1 +39097 C CB A ASN X 179 0.1931 0.7275 0.7821 -0.0333 -0.0213 0.0179 190 ASN d CB ? ? 1 +39098 C CB B ASN X 179 0.1925 0.7270 0.7816 -0.0335 -0.0214 0.0179 190 ASN d CB ? ? 1 +39099 C CG A ASN X 179 0.1897 0.7270 0.7786 -0.0274 -0.0208 0.0196 190 ASN d CG ? ? 1 +39100 C CG B ASN X 179 0.1885 0.7262 0.7779 -0.0275 -0.0208 0.0197 190 ASN d CG ? ? 1 +39101 O OD1 A ASN X 179 0.1936 0.7278 0.7779 -0.0242 -0.0206 0.0190 190 ASN d OD1 ? ? 1 +39102 O OD1 B ASN X 179 0.1909 0.7268 0.7766 -0.0242 -0.0207 0.0192 190 ASN d OD1 ? ? 1 +39103 N ND2 A ASN X 179 0.1820 0.7252 0.7761 -0.0257 -0.0205 0.0216 190 ASN d ND2 ? ? 1 +39104 N ND2 B ASN X 179 0.1817 0.7242 0.7757 -0.0261 -0.0203 0.0217 190 ASN d ND2 ? ? 1 +39105 N N . TRP X 180 0.2024 0.7369 0.7876 -0.0375 -0.0256 0.0122 191 TRP d N ? ? 1 +39106 C CA . TRP X 180 0.1995 0.7409 0.7883 -0.0387 -0.0279 0.0112 191 TRP d CA ? ? 1 +39107 C CB . TRP X 180 0.2101 0.7450 0.7937 -0.0419 -0.0294 0.0080 191 TRP d CB ? ? 1 +39108 C CG . TRP X 180 0.2108 0.7500 0.7956 -0.0432 -0.0323 0.0061 191 TRP d CG ? ? 1 +39109 C CD1 . TRP X 180 0.2193 0.7534 0.7972 -0.0423 -0.0335 0.0041 191 TRP d CD1 ? ? 1 +39110 N NE1 . TRP X 180 0.2179 0.7578 0.7987 -0.0437 -0.0364 0.0028 191 TRP d NE1 ? ? 1 +39111 C CE2 . TRP X 180 0.2092 0.7582 0.7990 -0.0457 -0.0372 0.0038 191 TRP d CE2 ? ? 1 +39112 C CZ2 . TRP X 180 0.2049 0.7620 0.8004 -0.0474 -0.0401 0.0029 191 TRP d CZ2 ? ? 1 +39113 C CH2 . TRP X 180 0.1956 0.7606 0.7999 -0.0489 -0.0400 0.0043 191 TRP d CH2 ? ? 1 +39114 C CZ3 . TRP X 180 0.1916 0.7566 0.7988 -0.0489 -0.0372 0.0064 191 TRP d CZ3 ? ? 1 +39115 C CE3 . TRP X 180 0.1962 0.7531 0.7975 -0.0472 -0.0345 0.0073 191 TRP d CE3 ? ? 1 +39116 C CD2 . TRP X 180 0.2045 0.7532 0.7971 -0.0455 -0.0345 0.0059 191 TRP d CD2 ? ? 1 +39117 C C . TRP X 180 0.1962 0.7424 0.7852 -0.0341 -0.0281 0.0125 191 TRP d C ? ? 1 +39118 O O . TRP X 180 0.1912 0.7444 0.7843 -0.0346 -0.0297 0.0124 191 TRP d O ? ? 1 +39119 N N A THR X 181 0.1994 0.7418 0.7839 -0.0295 -0.0262 0.0136 192 THR d N ? ? 1 +39120 N N B THR X 181 0.1993 0.7417 0.7838 -0.0295 -0.0262 0.0136 192 THR d N ? ? 1 +39121 C CA A THR X 181 0.1958 0.7432 0.7811 -0.0253 -0.0256 0.0149 192 THR d CA ? ? 1 +39122 C CA B THR X 181 0.1956 0.7430 0.7809 -0.0254 -0.0257 0.0149 192 THR d CA ? ? 1 +39123 C C A THR X 181 0.1850 0.7422 0.7789 -0.0250 -0.0255 0.0172 192 THR d C ? ? 1 +39124 C C B THR X 181 0.1850 0.7421 0.7788 -0.0250 -0.0255 0.0172 192 THR d C ? ? 1 +39125 O O A THR X 181 0.1806 0.7436 0.7769 -0.0231 -0.0256 0.0181 192 THR d O ? ? 1 +39126 O O B THR X 181 0.1805 0.7434 0.7767 -0.0231 -0.0256 0.0181 192 THR d O ? ? 1 +39127 C CB A THR X 181 0.2012 0.7431 0.7807 -0.0205 -0.0235 0.0154 192 THR d CB ? ? 1 +39128 C CB B THR X 181 0.2008 0.7428 0.7803 -0.0205 -0.0235 0.0154 192 THR d CB ? ? 1 +39129 O OG1 A THR X 181 0.2025 0.7405 0.7815 -0.0199 -0.0222 0.0162 192 THR d OG1 ? ? 1 +39130 O OG1 B THR X 181 0.2012 0.7400 0.7807 -0.0197 -0.0222 0.0164 192 THR d OG1 ? ? 1 +39131 C CG2 A THR X 181 0.2120 0.7454 0.7826 -0.0199 -0.0237 0.0131 192 THR d CG2 ? ? 1 +39132 C CG2 B THR X 181 0.2117 0.7448 0.7823 -0.0201 -0.0237 0.0131 192 THR d CG2 ? ? 1 +39133 N N . LEU X 182 0.1819 0.7403 0.7799 -0.0269 -0.0252 0.0180 193 LEU d N ? ? 1 +39134 C CA . LEU X 182 0.1725 0.7393 0.7783 -0.0267 -0.0250 0.0201 193 LEU d CA ? ? 1 +39135 C CB . LEU X 182 0.1727 0.7373 0.7795 -0.0271 -0.0239 0.0211 193 LEU d CB ? ? 1 +39136 C CG . LEU X 182 0.1645 0.7362 0.7775 -0.0250 -0.0232 0.0234 193 LEU d CG ? ? 1 +39137 C CD1 . LEU X 182 0.1643 0.7369 0.7760 -0.0200 -0.0220 0.0244 193 LEU d CD1 ? ? 1 +39138 C CD2 . LEU X 182 0.1647 0.7341 0.7784 -0.0260 -0.0225 0.0242 193 LEU d CD2 ? ? 1 +39139 C C . LEU X 182 0.1663 0.7397 0.7779 -0.0302 -0.0269 0.0197 193 LEU d C ? ? 1 +39140 O O . LEU X 182 0.1589 0.7394 0.7768 -0.0300 -0.0269 0.0213 193 LEU d O ? ? 1 +39141 N N . ASN X 183 0.1715 0.7428 0.7812 -0.0332 -0.0287 0.0175 194 ASN d N ? ? 1 +39142 C CA . ASN X 183 0.1657 0.7430 0.7811 -0.0367 -0.0308 0.0168 194 ASN d CA ? ? 1 +39143 C CB . ASN X 183 0.1726 0.7454 0.7856 -0.0406 -0.0322 0.0140 194 ASN d CB ? ? 1 +39144 C CG . ASN X 183 0.1679 0.7469 0.7879 -0.0445 -0.0339 0.0132 194 ASN d CG ? ? 1 +39145 O OD1 . ASN X 183 0.1637 0.7489 0.7872 -0.0444 -0.0359 0.0130 194 ASN d OD1 ? ? 1 +39146 N ND2 . ASN X 183 0.1692 0.7465 0.7912 -0.0477 -0.0329 0.0127 194 ASN d ND2 ? ? 1 +39147 C C . ASN X 183 0.1621 0.7449 0.7789 -0.0349 -0.0321 0.0172 194 ASN d C ? ? 1 +39148 O O . ASN X 183 0.1670 0.7467 0.7783 -0.0332 -0.0326 0.0163 194 ASN d O ? ? 1 +39149 N N . PRO X 184 0.1550 0.7457 0.7786 -0.0351 -0.0327 0.0186 195 PRO d N ? ? 1 +39150 C CA . PRO X 184 0.1530 0.7483 0.7774 -0.0332 -0.0338 0.0193 195 PRO d CA ? ? 1 +39151 C CB . PRO X 184 0.1436 0.7465 0.7759 -0.0341 -0.0341 0.0208 195 PRO d CB ? ? 1 +39152 C CG . PRO X 184 0.1413 0.7436 0.7764 -0.0356 -0.0327 0.0212 195 PRO d CG ? ? 1 +39153 C CD . PRO X 184 0.1489 0.7438 0.7790 -0.0371 -0.0322 0.0196 195 PRO d CD ? ? 1 +39154 C C . PRO X 184 0.1600 0.7545 0.7816 -0.0345 -0.0366 0.0171 195 PRO d C ? ? 1 +39155 O O . PRO X 184 0.1620 0.7566 0.7802 -0.0322 -0.0371 0.0173 195 PRO d O ? ? 1 +39156 N N . PHE X 185 0.1632 0.7570 0.7863 -0.0383 -0.0383 0.0149 196 PHE d N ? ? 1 +39157 C CA . PHE X 185 0.1706 0.7637 0.7914 -0.0398 -0.0414 0.0123 196 PHE d CA ? ? 1 +39158 C CB . PHE X 185 0.1727 0.7672 0.7981 -0.0445 -0.0430 0.0101 196 PHE d CB ? ? 1 +39159 C CG . PHE X 185 0.1661 0.7691 0.8002 -0.0456 -0.0437 0.0110 196 PHE d CG ? ? 1 +39160 C CD1 . PHE X 185 0.1657 0.7744 0.8023 -0.0447 -0.0464 0.0108 196 PHE d CD1 ? ? 1 +39161 C CD2 . PHE X 185 0.1629 0.7677 0.8020 -0.0471 -0.0415 0.0122 196 PHE d CD2 ? ? 1 +39162 C CE1 . PHE X 185 0.1596 0.7758 0.8039 -0.0454 -0.0471 0.0116 196 PHE d CE1 ? ? 1 +39163 C CE2 . PHE X 185 0.1573 0.7697 0.8041 -0.0479 -0.0420 0.0131 196 PHE d CE2 ? ? 1 +39164 C CZ . PHE X 185 0.1553 0.7734 0.8048 -0.0470 -0.0448 0.0127 196 PHE d CZ ? ? 1 +39165 C C . PHE X 185 0.1800 0.7654 0.7918 -0.0383 -0.0413 0.0110 196 PHE d C ? ? 1 +39166 O O . PHE X 185 0.1843 0.7691 0.7922 -0.0373 -0.0434 0.0099 196 PHE d O ? ? 1 +39167 N N . HIS X 186 0.1847 0.7637 0.7927 -0.0380 -0.0390 0.0111 197 HIS d N ? ? 1 +39168 C CA . HIS X 186 0.1938 0.7652 0.7930 -0.0358 -0.0382 0.0102 197 HIS d CA ? ? 1 +39169 C CB . HIS X 186 0.1980 0.7624 0.7940 -0.0360 -0.0358 0.0101 197 HIS d CB ? ? 1 +39170 C CG . HIS X 186 0.2082 0.7641 0.7949 -0.0338 -0.0351 0.0088 197 HIS d CG ? ? 1 +39171 N ND1 . HIS X 186 0.2161 0.7685 0.7981 -0.0353 -0.0375 0.0062 197 HIS d ND1 ? ? 1 +39172 C CE1 . HIS X 186 0.2234 0.7684 0.7971 -0.0325 -0.0362 0.0057 197 HIS d CE1 ? ? 1 +39173 N NE2 . HIS X 186 0.2208 0.7648 0.7942 -0.0292 -0.0331 0.0079 197 HIS d NE2 ? ? 1 +39174 C CD2 . HIS X 186 0.2118 0.7629 0.7934 -0.0300 -0.0325 0.0099 197 HIS d CD2 ? ? 1 +39175 C C . HIS X 186 0.1932 0.7657 0.7895 -0.0312 -0.0369 0.0121 197 HIS d C ? ? 1 +39176 O O . HIS X 186 0.1996 0.7689 0.7896 -0.0295 -0.0377 0.0111 197 HIS d O ? ? 1 +39177 N N . MET X 187 0.1864 0.7638 0.7875 -0.0293 -0.0348 0.0148 198 MET d N ? ? 1 +39178 C CA . MET X 187 0.1868 0.7657 0.7861 -0.0254 -0.0330 0.0167 198 MET d CA ? ? 1 +39179 C CB . MET X 187 0.1776 0.7623 0.7836 -0.0243 -0.0310 0.0193 198 MET d CB ? ? 1 +39180 C CG . MET X 187 0.1779 0.7596 0.7840 -0.0234 -0.0287 0.0199 198 MET d CG ? ? 1 +39181 S SD . MET X 187 0.1680 0.7568 0.7830 -0.0236 -0.0276 0.0223 198 MET d SD ? ? 1 +39182 C CE . MET X 187 0.1719 0.7556 0.7845 -0.0216 -0.0253 0.0226 198 MET d CE ? ? 1 +39183 C C . MET X 187 0.1897 0.7712 0.7876 -0.0250 -0.0351 0.0164 198 MET d C ? ? 1 +39184 O O . MET X 187 0.1936 0.7724 0.7855 -0.0223 -0.0344 0.0165 198 MET d O ? ? 1 +39185 N N . MET X 188 0.1883 0.7749 0.7915 -0.0276 -0.0378 0.0160 199 MET d N ? ? 1 +39186 C CA . MET X 188 0.1906 0.7795 0.7925 -0.0272 -0.0404 0.0156 199 MET d CA ? ? 1 +39187 C CB . MET X 188 0.1908 0.7862 0.8004 -0.0299 -0.0430 0.0153 199 MET d CB ? ? 1 +39188 C CG . MET X 188 0.1875 0.7890 0.8040 -0.0292 -0.0412 0.0181 199 MET d CG ? ? 1 +39189 S SD . MET X 188 0.1921 0.8014 0.8165 -0.0313 -0.0443 0.0179 199 MET d SD ? ? 1 +39190 C CE . MET X 188 0.1898 0.7996 0.8193 -0.0355 -0.0448 0.0160 199 MET d CE ? ? 1 +39191 C C . MET X 188 0.1956 0.7785 0.7894 -0.0272 -0.0425 0.0129 199 MET d C ? ? 1 +39192 O O . MET X 188 0.1998 0.7812 0.7881 -0.0249 -0.0433 0.0130 199 MET d O ? ? 1 +39193 N N . GLY X 189 0.1952 0.7739 0.7877 -0.0297 -0.0434 0.0106 200 GLY d N ? ? 1 +39194 C CA . GLY X 189 0.2023 0.7747 0.7870 -0.0300 -0.0454 0.0078 200 GLY d CA ? ? 1 +39195 C C . GLY X 189 0.2065 0.7724 0.7824 -0.0263 -0.0429 0.0083 200 GLY d C ? ? 1 +39196 O O . GLY X 189 0.2129 0.7754 0.7817 -0.0248 -0.0443 0.0071 200 GLY d O ? ? 1 +39197 N N . VAL X 190 0.2012 0.7656 0.7776 -0.0247 -0.0391 0.0100 201 VAL d N ? ? 1 +39198 C CA . VAL X 190 0.2047 0.7641 0.7740 -0.0208 -0.0362 0.0107 201 VAL d CA ? ? 1 +39199 C CB . VAL X 190 0.2020 0.7610 0.7738 -0.0192 -0.0325 0.0124 201 VAL d CB ? ? 1 +39200 C CG1 . VAL X 190 0.2067 0.7625 0.7727 -0.0147 -0.0292 0.0133 201 VAL d CG1 ? ? 1 +39201 C CG2 . VAL X 190 0.2048 0.7587 0.7760 -0.0215 -0.0327 0.0108 201 VAL d CG2 ? ? 1 +39202 C C . VAL X 190 0.2020 0.7642 0.7695 -0.0180 -0.0357 0.0123 201 VAL d C ? ? 1 +39203 O O . VAL X 190 0.2100 0.7672 0.7691 -0.0158 -0.0353 0.0115 201 VAL d O ? ? 1 +39204 N N A ALA X 191 0.1925 0.7621 0.7672 -0.0183 -0.0355 0.0145 202 ALA d N ? ? 1 +39205 N N B ALA X 191 0.1918 0.7613 0.7664 -0.0181 -0.0353 0.0145 202 ALA d N ? ? 1 +39206 C CA A ALA X 191 0.1914 0.7637 0.7648 -0.0159 -0.0347 0.0163 202 ALA d CA ? ? 1 +39207 C CA B ALA X 191 0.1903 0.7624 0.7634 -0.0158 -0.0345 0.0164 202 ALA d CA ? ? 1 +39208 C C A ALA X 191 0.1984 0.7681 0.7654 -0.0159 -0.0381 0.0146 202 ALA d C ? ? 1 +39209 C C B ALA X 191 0.1966 0.7664 0.7636 -0.0158 -0.0379 0.0148 202 ALA d C ? ? 1 +39210 O O A ALA X 191 0.2038 0.7709 0.7642 -0.0132 -0.0370 0.0153 202 ALA d O ? ? 1 +39211 O O B ALA X 191 0.2014 0.7689 0.7622 -0.0131 -0.0367 0.0156 202 ALA d O ? ? 1 +39212 C CB A ALA X 191 0.1810 0.7611 0.7633 -0.0168 -0.0345 0.0186 202 ALA d CB ? ? 1 +39213 C CB B ALA X 191 0.1800 0.7599 0.7621 -0.0165 -0.0341 0.0187 202 ALA d CB ? ? 1 +39214 N N A GLY X 192 0.1984 0.7689 0.7674 -0.0189 -0.0422 0.0124 203 GLY d N ? ? 1 +39215 N N B GLY X 192 0.1961 0.7667 0.7651 -0.0188 -0.0421 0.0126 203 GLY d N ? ? 1 +39216 C CA A GLY X 192 0.2048 0.7735 0.7684 -0.0190 -0.0463 0.0105 203 GLY d CA ? ? 1 +39217 C CA B GLY X 192 0.2021 0.7709 0.7657 -0.0189 -0.0461 0.0106 203 GLY d CA ? ? 1 +39218 C C A GLY X 192 0.2164 0.7766 0.7692 -0.0176 -0.0465 0.0083 203 GLY d C ? ? 1 +39219 C C B GLY X 192 0.2133 0.7735 0.7662 -0.0175 -0.0463 0.0085 203 GLY d C ? ? 1 +39220 O O A GLY X 192 0.2235 0.7808 0.7689 -0.0157 -0.0479 0.0078 203 GLY d O ? ? 1 +39221 O O B GLY X 192 0.2203 0.7776 0.7657 -0.0154 -0.0473 0.0082 203 GLY d O ? ? 1 +39222 N N A VAL X 193 0.2191 0.7748 0.7706 -0.0185 -0.0450 0.0070 204 VAL d N ? ? 1 +39223 N N B VAL X 193 0.2155 0.7714 0.7673 -0.0188 -0.0453 0.0069 204 VAL d N ? ? 1 +39224 C CA A VAL X 193 0.2308 0.7778 0.7722 -0.0175 -0.0451 0.0047 204 VAL d CA ? ? 1 +39225 C CA B VAL X 193 0.2270 0.7743 0.7688 -0.0177 -0.0454 0.0046 204 VAL d CA ? ? 1 +39226 C C A VAL X 193 0.2353 0.7786 0.7698 -0.0131 -0.0410 0.0065 204 VAL d C ? ? 1 +39227 C C B VAL X 193 0.2315 0.7749 0.7663 -0.0133 -0.0412 0.0064 204 VAL d C ? ? 1 +39228 O O A VAL X 193 0.2445 0.7827 0.7697 -0.0111 -0.0416 0.0055 204 VAL d O ? ? 1 +39229 O O B VAL X 193 0.2403 0.7789 0.7660 -0.0113 -0.0419 0.0054 204 VAL d O ? ? 1 +39230 C CB A VAL X 193 0.2328 0.7758 0.7750 -0.0201 -0.0449 0.0027 204 VAL d CB ? ? 1 +39231 C CB B VAL X 193 0.2293 0.7723 0.7717 -0.0203 -0.0452 0.0026 204 VAL d CB ? ? 1 +39232 C CG1 A VAL X 193 0.2448 0.7781 0.7763 -0.0183 -0.0439 0.0008 204 VAL d CG1 ? ? 1 +39233 C CG1 B VAL X 193 0.2413 0.7746 0.7729 -0.0184 -0.0441 0.0007 204 VAL d CG1 ? ? 1 +39234 C CG2 A VAL X 193 0.2314 0.7770 0.7787 -0.0247 -0.0493 0.0002 204 VAL d CG2 ? ? 1 +39235 C CG2 B VAL X 193 0.2283 0.7737 0.7755 -0.0249 -0.0496 0.0000 204 VAL d CG2 ? ? 1 +39236 N N A LEU X 194 0.2292 0.7754 0.7684 -0.0117 -0.0367 0.0090 205 LEU d N ? ? 1 +39237 N N B LEU X 194 0.2255 0.7714 0.7647 -0.0118 -0.0368 0.0088 205 LEU d N ? ? 1 +39238 C CA A LEU X 194 0.2330 0.7769 0.7674 -0.0077 -0.0323 0.0107 205 LEU d CA ? ? 1 +39239 C CA B LEU X 194 0.2292 0.7728 0.7633 -0.0078 -0.0325 0.0105 205 LEU d CA ? ? 1 +39240 C C A LEU X 194 0.2336 0.7800 0.7659 -0.0060 -0.0321 0.0124 205 LEU d C ? ? 1 +39241 C C B LEU X 194 0.2297 0.7759 0.7619 -0.0062 -0.0325 0.0122 205 LEU d C ? ? 1 +39242 O O A LEU X 194 0.2421 0.7839 0.7659 -0.0031 -0.0301 0.0126 205 LEU d O ? ? 1 +39243 O O B LEU X 194 0.2382 0.7798 0.7618 -0.0034 -0.0307 0.0123 205 LEU d O ? ? 1 +39244 C CB A LEU X 194 0.2254 0.7729 0.7667 -0.0068 -0.0282 0.0128 205 LEU d CB ? ? 1 +39245 C CB B LEU X 194 0.2218 0.7690 0.7625 -0.0067 -0.0282 0.0127 205 LEU d CB ? ? 1 +39246 C CG A LEU X 194 0.2265 0.7704 0.7685 -0.0076 -0.0277 0.0114 205 LEU d CG ? ? 1 +39247 C CG B LEU X 194 0.2222 0.7662 0.7643 -0.0076 -0.0277 0.0115 205 LEU d CG ? ? 1 +39248 C CD1 A LEU X 194 0.2209 0.7679 0.7682 -0.0056 -0.0238 0.0135 205 LEU d CD1 ? ? 1 +39249 C CD1 B LEU X 194 0.2161 0.7637 0.7639 -0.0056 -0.0237 0.0137 205 LEU d CD1 ? ? 1 +39250 C CD2 A LEU X 194 0.2389 0.7734 0.7704 -0.0063 -0.0278 0.0089 205 LEU d CD2 ? ? 1 +39251 C CD2 B LEU X 194 0.2343 0.7690 0.7663 -0.0063 -0.0276 0.0090 205 LEU d CD2 ? ? 1 +39252 N N A GLY X 195 0.2258 0.7790 0.7655 -0.0077 -0.0339 0.0138 206 GLY d N ? ? 1 +39253 N N B GLY X 195 0.2215 0.7746 0.7612 -0.0080 -0.0344 0.0135 206 GLY d N ? ? 1 +39254 C CA A GLY X 195 0.2263 0.7816 0.7641 -0.0064 -0.0343 0.0155 206 GLY d CA ? ? 1 +39255 C CA B GLY X 195 0.2216 0.7770 0.7598 -0.0067 -0.0346 0.0153 206 GLY d CA ? ? 1 +39256 C C A GLY X 195 0.2371 0.7870 0.7652 -0.0057 -0.0380 0.0135 206 GLY d C ? ? 1 +39257 C C B GLY X 195 0.2320 0.7823 0.7605 -0.0059 -0.0382 0.0134 206 GLY d C ? ? 1 +39258 O O A GLY X 195 0.2427 0.7902 0.7639 -0.0033 -0.0369 0.0146 206 GLY d O ? ? 1 +39259 O O B GLY X 195 0.2369 0.7853 0.7593 -0.0035 -0.0371 0.0148 206 GLY d O ? ? 1 +39260 N N A GLY X 196 0.2404 0.7884 0.7677 -0.0081 -0.0423 0.0104 207 GLY d N ? ? 1 +39261 N N B GLY X 196 0.2360 0.7839 0.7631 -0.0081 -0.0425 0.0103 207 GLY d N ? ? 1 +39262 C CA A GLY X 196 0.2514 0.7942 0.7696 -0.0076 -0.0464 0.0079 207 GLY d CA ? ? 1 +39263 C CA B GLY X 196 0.2471 0.7898 0.7648 -0.0074 -0.0464 0.0079 207 GLY d CA ? ? 1 +39264 C C A GLY X 196 0.2636 0.7976 0.7699 -0.0048 -0.0440 0.0070 207 GLY d C ? ? 1 +39265 C C B GLY X 196 0.2589 0.7928 0.7649 -0.0046 -0.0440 0.0070 207 GLY d C ? ? 1 +39266 O O A GLY X 196 0.2722 0.8019 0.7691 -0.0025 -0.0451 0.0066 207 GLY d O ? ? 1 +39267 O O B GLY X 196 0.2675 0.7971 0.7641 -0.0023 -0.0447 0.0069 207 GLY d O ? ? 1 +39268 N N A ALA X 197 0.2651 0.7962 0.7714 -0.0047 -0.0409 0.0064 208 ALA d N ? ? 1 +39269 N N B ALA X 197 0.2603 0.7913 0.7666 -0.0048 -0.0411 0.0063 208 ALA d N ? ? 1 +39270 C CA A ALA X 197 0.2768 0.7998 0.7726 -0.0017 -0.0380 0.0057 208 ALA d CA ? ? 1 +39271 C CA B ALA X 197 0.2716 0.7946 0.7676 -0.0018 -0.0380 0.0056 208 ALA d CA ? ? 1 +39272 C C A ALA X 197 0.2788 0.8020 0.7711 0.0019 -0.0333 0.0086 208 ALA d C ? ? 1 +39273 C C B ALA X 197 0.2735 0.7967 0.7661 0.0018 -0.0333 0.0085 208 ALA d C ? ? 1 +39274 O O A ALA X 197 0.2898 0.8066 0.7711 0.0045 -0.0324 0.0081 208 ALA d O ? ? 1 +39275 O O B ALA X 197 0.2845 0.8011 0.7662 0.0045 -0.0320 0.0079 208 ALA d O ? ? 1 +39276 C CB A ALA X 197 0.2760 0.7967 0.7739 -0.0020 -0.0353 0.0049 208 ALA d CB ? ? 1 +39277 C CB B ALA X 197 0.2706 0.7914 0.7690 -0.0023 -0.0355 0.0048 208 ALA d CB ? ? 1 +39278 N N A LEU X 198 0.2692 0.7996 0.7706 0.0017 -0.0304 0.0116 209 LEU d N ? ? 1 +39279 N N B LEU X 198 0.2637 0.7943 0.7654 0.0016 -0.0306 0.0115 209 LEU d N ? ? 1 +39280 C CA A LEU X 198 0.2700 0.8017 0.7698 0.0044 -0.0259 0.0145 209 LEU d CA ? ? 1 +39281 C CA B LEU X 198 0.2644 0.7964 0.7646 0.0042 -0.0261 0.0145 209 LEU d CA ? ? 1 +39282 C C A LEU X 198 0.2771 0.8064 0.7693 0.0054 -0.0280 0.0149 209 LEU d C ? ? 1 +39283 C C B LEU X 198 0.2718 0.8012 0.7643 0.0053 -0.0282 0.0149 209 LEU d C ? ? 1 +39284 O O A LEU X 198 0.2861 0.8104 0.7691 0.0083 -0.0251 0.0156 209 LEU d O ? ? 1 +39285 O O B LEU X 198 0.2810 0.8052 0.7641 0.0082 -0.0253 0.0155 209 LEU d O ? ? 1 +39286 C CB A LEU X 198 0.2570 0.7975 0.7692 0.0032 -0.0235 0.0173 209 LEU d CB ? ? 1 +39287 C CB B LEU X 198 0.2514 0.7921 0.7639 0.0030 -0.0239 0.0172 209 LEU d CB ? ? 1 +39288 C CG A LEU X 198 0.2563 0.7991 0.7689 0.0054 -0.0182 0.0203 209 LEU d CG ? ? 1 +39289 C CG B LEU X 198 0.2507 0.7937 0.7636 0.0051 -0.0186 0.0202 209 LEU d CG ? ? 1 +39290 C CD1 A LEU X 198 0.2443 0.7950 0.7690 0.0044 -0.0154 0.0222 209 LEU d CD1 ? ? 1 +39291 C CD1 B LEU X 198 0.2388 0.7896 0.7638 0.0042 -0.0157 0.0222 209 LEU d CD1 ? ? 1 +39292 C CD2 A LEU X 198 0.2585 0.8015 0.7677 0.0056 -0.0196 0.0218 209 LEU d CD2 ? ? 1 +39293 C CD2 B LEU X 198 0.2527 0.7960 0.7624 0.0053 -0.0200 0.0218 209 LEU d CD2 ? ? 1 +39294 N N A LEU X 199 0.2737 0.8065 0.7698 0.0033 -0.0331 0.0145 210 LEU d N ? ? 1 +39295 N N B LEU X 199 0.2683 0.8015 0.7648 0.0032 -0.0332 0.0146 210 LEU d N ? ? 1 +39296 C CA A LEU X 199 0.2801 0.8108 0.7694 0.0045 -0.0360 0.0149 210 LEU d CA ? ? 1 +39297 C CA B LEU X 199 0.2749 0.8059 0.7644 0.0044 -0.0361 0.0150 210 LEU d CA ? ? 1 +39298 C C A LEU X 199 0.2944 0.8161 0.7701 0.0062 -0.0382 0.0123 210 LEU d C ? ? 1 +39299 C C B LEU X 199 0.2892 0.8113 0.7653 0.0062 -0.0384 0.0124 210 LEU d C ? ? 1 +39300 O O A LEU X 199 0.3035 0.8203 0.7692 0.0089 -0.0374 0.0131 210 LEU d O ? ? 1 +39301 O O B LEU X 199 0.2982 0.8155 0.7644 0.0088 -0.0378 0.0132 210 LEU d O ? ? 1 +39302 C CB A LEU X 199 0.2734 0.8100 0.7702 0.0019 -0.0415 0.0144 210 LEU d CB ? ? 1 +39303 C CB B LEU X 199 0.2682 0.8051 0.7652 0.0019 -0.0416 0.0145 210 LEU d CB ? ? 1 +39304 C CG A LEU X 199 0.2614 0.8060 0.7690 0.0008 -0.0399 0.0173 210 LEU d CG ? ? 1 +39305 C CG B LEU X 199 0.2567 0.8013 0.7641 0.0009 -0.0400 0.0174 210 LEU d CG ? ? 1 +39306 C CD1 A LEU X 199 0.2546 0.8051 0.7706 -0.0019 -0.0453 0.0162 210 LEU d CD1 ? ? 1 +39307 C CD1 B LEU X 199 0.2504 0.8008 0.7656 -0.0017 -0.0457 0.0163 210 LEU d CD1 ? ? 1 +39308 C CD2 A LEU X 199 0.2648 0.8081 0.7675 0.0033 -0.0372 0.0202 210 LEU d CD2 ? ? 1 +39309 C CD2 B LEU X 199 0.2600 0.8031 0.7623 0.0034 -0.0370 0.0204 210 LEU d CD2 ? ? 1 +39310 N N A CYS X 200 0.2968 0.8161 0.7721 0.0046 -0.0412 0.0090 211 CYS d N ? ? 1 +39311 N N B CYS X 200 0.2919 0.8115 0.7673 0.0046 -0.0412 0.0091 211 CYS d N ? ? 1 +39312 C CA A CYS X 200 0.3105 0.8211 0.7733 0.0059 -0.0434 0.0060 211 CYS d CA ? ? 1 +39313 C CA B CYS X 200 0.3059 0.8167 0.7688 0.0060 -0.0433 0.0062 211 CYS d CA ? ? 1 +39314 C C A CYS X 200 0.3191 0.8231 0.7719 0.0096 -0.0377 0.0073 211 CYS d C ? ? 1 +39315 C C B CYS X 200 0.3141 0.8185 0.7672 0.0097 -0.0375 0.0075 211 CYS d C ? ? 1 +39316 O O A CYS X 200 0.3301 0.8281 0.7714 0.0121 -0.0381 0.0071 211 CYS d O ? ? 1 +39317 O O B CYS X 200 0.3245 0.8232 0.7664 0.0122 -0.0377 0.0077 211 CYS d O ? ? 1 +39318 C CB A CYS X 200 0.3110 0.8200 0.7761 0.0033 -0.0460 0.0026 211 CYS d CB ? ? 1 +39319 C CB B CYS X 200 0.3064 0.8155 0.7715 0.0034 -0.0459 0.0028 211 CYS d CB ? ? 1 +39320 S SG A CYS X 200 0.3279 0.8268 0.7790 0.0039 -0.0505 -0.0018 211 CYS d SG ? ? 1 +39321 S SG B CYS X 200 0.3239 0.8225 0.7744 0.0043 -0.0499 -0.0015 211 CYS d SG ? ? 1 +39322 N N A ALA X 201 0.3142 0.8196 0.7715 0.0101 -0.0322 0.0085 212 ALA d N ? ? 1 +39323 N N B ALA X 201 0.3097 0.8152 0.7670 0.0101 -0.0321 0.0085 212 ALA d N ? ? 1 +39324 C CA A ALA X 201 0.3217 0.8219 0.7711 0.0136 -0.0262 0.0094 212 ALA d CA ? ? 1 +39325 C CA B ALA X 201 0.3171 0.8175 0.7666 0.0136 -0.0261 0.0096 212 ALA d CA ? ? 1 +39326 C C A ALA X 201 0.3235 0.8242 0.7693 0.0157 -0.0228 0.0126 212 ALA d C ? ? 1 +39327 C C B ALA X 201 0.3187 0.8198 0.7651 0.0157 -0.0227 0.0128 212 ALA d C ? ? 1 +39328 O O A ALA X 201 0.3354 0.8290 0.7692 0.0185 -0.0207 0.0125 212 ALA d O ? ? 1 +39329 O O B ALA X 201 0.3302 0.8244 0.7646 0.0185 -0.0206 0.0128 212 ALA d O ? ? 1 +39330 C CB A ALA X 201 0.3143 0.8178 0.7716 0.0136 -0.0214 0.0102 212 ALA d CB ? ? 1 +39331 C CB B ALA X 201 0.3100 0.8135 0.7673 0.0136 -0.0213 0.0102 212 ALA d CB ? ? 1 +39332 N N A ILE X 202 0.3129 0.8214 0.7687 0.0143 -0.0222 0.0152 213 ILE d N ? ? 1 +39333 N N B ILE X 202 0.3079 0.8171 0.7646 0.0141 -0.0221 0.0154 213 ILE d N ? ? 1 +39334 C CA A ILE X 202 0.3142 0.8235 0.7681 0.0159 -0.0181 0.0185 213 ILE d CA ? ? 1 +39335 C CA B ILE X 202 0.3092 0.8192 0.7641 0.0157 -0.0182 0.0186 213 ILE d CA ? ? 1 +39336 C C A ILE X 202 0.3244 0.8286 0.7678 0.0171 -0.0215 0.0186 213 ILE d C ? ? 1 +39337 C C B ILE X 202 0.3201 0.8248 0.7642 0.0170 -0.0216 0.0187 213 ILE d C ? ? 1 +39338 O O A ILE X 202 0.3324 0.8322 0.7673 0.0195 -0.0177 0.0205 213 ILE d O ? ? 1 +39339 O O B ILE X 202 0.3283 0.8285 0.7638 0.0194 -0.0177 0.0205 213 ILE d O ? ? 1 +39340 C CB A ILE X 202 0.2997 0.8187 0.7677 0.0138 -0.0163 0.0211 213 ILE d CB ? ? 1 +39341 C CB B ILE X 202 0.2947 0.8145 0.7638 0.0136 -0.0167 0.0213 213 ILE d CB ? ? 1 +39342 C CG1 A ILE X 202 0.3007 0.8206 0.7681 0.0154 -0.0096 0.0243 213 ILE d CG1 ? ? 1 +39343 C CG1 B ILE X 202 0.2951 0.8161 0.7643 0.0151 -0.0096 0.0244 213 ILE d CG1 ? ? 1 +39344 C CG2 A ILE X 202 0.2933 0.8167 0.7669 0.0116 -0.0221 0.0213 213 ILE d CG2 ? ? 1 +39345 C CG2 B ILE X 202 0.2893 0.8130 0.7628 0.0116 -0.0222 0.0216 213 ILE d CG2 ? ? 1 +39346 C CD1 A ILE X 202 0.2872 0.8161 0.7681 0.0136 -0.0071 0.0266 213 ILE d CD1 ? ? 1 +39347 C CD1 B ILE X 202 0.2817 0.8117 0.7643 0.0132 -0.0076 0.0267 213 ILE d CD1 ? ? 1 +39348 N N A HIS X 203 0.3244 0.8292 0.7684 0.0156 -0.0287 0.0166 214 HIS d N ? ? 1 +39349 N N B HIS X 203 0.3208 0.8260 0.7653 0.0154 -0.0288 0.0167 214 HIS d N ? ? 1 +39350 C CA A HIS X 203 0.3344 0.8344 0.7682 0.0170 -0.0330 0.0163 214 HIS d CA ? ? 1 +39351 C CA B HIS X 203 0.3312 0.8316 0.7657 0.0169 -0.0331 0.0164 214 HIS d CA ? ? 1 +39352 C C A HIS X 203 0.3495 0.8391 0.7677 0.0198 -0.0330 0.0143 214 HIS d C ? ? 1 +39353 C C B HIS X 203 0.3458 0.8359 0.7646 0.0196 -0.0332 0.0144 214 HIS d C ? ? 1 +39354 O O A HIS X 203 0.3600 0.8434 0.7667 0.0225 -0.0319 0.0154 214 HIS d O ? ? 1 +39355 O O B HIS X 203 0.3560 0.8400 0.7635 0.0223 -0.0320 0.0156 214 HIS d O ? ? 1 +39356 C CB A HIS X 203 0.3310 0.8352 0.7705 0.0147 -0.0410 0.0142 214 HIS d CB ? ? 1 +39357 C CB B HIS X 203 0.3283 0.8331 0.7685 0.0146 -0.0411 0.0144 214 HIS d CB ? ? 1 +39358 C CG A HIS X 203 0.3429 0.8426 0.7724 0.0165 -0.0462 0.0136 214 HIS d CG ? ? 1 +39359 C CG B HIS X 203 0.3416 0.8415 0.7713 0.0165 -0.0463 0.0137 214 HIS d CG ? ? 1 +39360 N ND1 A HIS X 203 0.3471 0.8453 0.7719 0.0186 -0.0447 0.0166 214 HIS d ND1 ? ? 1 +39361 N ND1 B HIS X 203 0.3466 0.8449 0.7714 0.0187 -0.0448 0.0167 214 HIS d ND1 ? ? 1 +39362 C CD2 A HIS X 203 0.3520 0.8482 0.7752 0.0167 -0.0529 0.0101 214 HIS d CD2 ? ? 1 +39363 C CD2 B HIS X 203 0.3519 0.8480 0.7749 0.0167 -0.0528 0.0102 214 HIS d CD2 ? ? 1 +39364 C CE1 A HIS X 203 0.3577 0.8515 0.7733 0.0203 -0.0506 0.0150 214 HIS d CE1 ? ? 1 +39365 C CE1 B HIS X 203 0.3582 0.8517 0.7733 0.0204 -0.0505 0.0151 214 HIS d CE1 ? ? 1 +39366 N NE2 A HIS X 203 0.3623 0.8550 0.7768 0.0192 -0.0558 0.0110 214 HIS d NE2 ? ? 1 +39367 N NE2 B HIS X 203 0.3637 0.8561 0.7777 0.0193 -0.0557 0.0110 214 HIS d NE2 ? ? 1 +39368 N N A GLY X 204 0.3510 0.8382 0.7684 0.0191 -0.0341 0.0112 215 GLY d N ? ? 1 +39369 N N B GLY X 204 0.3473 0.8349 0.7652 0.0189 -0.0345 0.0112 215 GLY d N ? ? 1 +39370 C CA A GLY X 204 0.3661 0.8433 0.7690 0.0215 -0.0342 0.0088 215 GLY d CA ? ? 1 +39371 C CA B GLY X 204 0.3623 0.8399 0.7658 0.0213 -0.0344 0.0089 215 GLY d CA ? ? 1 +39372 C C A GLY X 204 0.3735 0.8455 0.7682 0.0247 -0.0265 0.0109 215 GLY d C ? ? 1 +39373 C C B GLY X 204 0.3695 0.8421 0.7648 0.0246 -0.0267 0.0111 215 GLY d C ? ? 1 +39374 O O A GLY X 204 0.3875 0.8509 0.7678 0.0275 -0.0260 0.0104 215 GLY d O ? ? 1 +39375 O O B GLY X 204 0.3829 0.8473 0.7641 0.0274 -0.0264 0.0110 215 GLY d O ? ? 1 +39376 N N A ALA X 205 0.3642 0.8417 0.7684 0.0242 -0.0203 0.0131 216 ALA d N ? ? 1 +39377 N N B ALA X 205 0.3608 0.8385 0.7652 0.0242 -0.0205 0.0130 216 ALA d N ? ? 1 +39378 C CA A ALA X 205 0.3697 0.8442 0.7688 0.0269 -0.0124 0.0150 216 ALA d CA ? ? 1 +39379 C CA B ALA X 205 0.3661 0.8407 0.7653 0.0268 -0.0125 0.0151 216 ALA d CA ? ? 1 +39380 C C A ALA X 205 0.3739 0.8473 0.7680 0.0282 -0.0100 0.0182 216 ALA d C ? ? 1 +39381 C C B ALA X 205 0.3699 0.8436 0.7644 0.0281 -0.0100 0.0183 216 ALA d C ? ? 1 +39382 O O A ALA X 205 0.3861 0.8524 0.7683 0.0310 -0.0057 0.0190 216 ALA d O ? ? 1 +39383 O O B ALA X 205 0.3821 0.8488 0.7650 0.0309 -0.0055 0.0191 216 ALA d O ? ? 1 +39384 C CB A ALA X 205 0.3578 0.8397 0.7698 0.0260 -0.0072 0.0162 216 ALA d CB ? ? 1 +39385 C CB B ALA X 205 0.3543 0.8363 0.7663 0.0259 -0.0073 0.0162 216 ALA d CB ? ? 1 +39386 N N A THR X 206 0.3645 0.8444 0.7672 0.0262 -0.0127 0.0200 217 THR d N ? ? 1 +39387 N N B THR X 206 0.3605 0.8407 0.7636 0.0261 -0.0128 0.0201 217 THR d N ? ? 1 +39388 C CA A THR X 206 0.3680 0.8468 0.7668 0.0271 -0.0105 0.0233 217 THR d CA ? ? 1 +39389 C CA B THR X 206 0.3642 0.8432 0.7632 0.0271 -0.0107 0.0233 217 THR d CA ? ? 1 +39390 C C A THR X 206 0.3853 0.8542 0.7673 0.0297 -0.0139 0.0225 217 THR d C ? ? 1 +39391 C C B THR X 206 0.3820 0.8508 0.7639 0.0297 -0.0139 0.0225 217 THR d C ? ? 1 +39392 O O A THR X 206 0.3964 0.8589 0.7677 0.0321 -0.0093 0.0244 217 THR d O ? ? 1 +39393 O O B THR X 206 0.3932 0.8557 0.7645 0.0322 -0.0090 0.0244 217 THR d O ? ? 1 +39394 C CB A THR X 206 0.3545 0.8418 0.7655 0.0245 -0.0135 0.0250 217 THR d CB ? ? 1 +39395 C CB B THR X 206 0.3513 0.8385 0.7620 0.0246 -0.0139 0.0250 217 THR d CB ? ? 1 +39396 O OG1 A THR X 206 0.3399 0.8361 0.7657 0.0223 -0.0101 0.0259 217 THR d OG1 ? ? 1 +39397 O OG1 B THR X 206 0.3358 0.8322 0.7619 0.0221 -0.0114 0.0256 217 THR d OG1 ? ? 1 +39398 C CG2 A THR X 206 0.3589 0.8440 0.7649 0.0256 -0.0115 0.0283 217 THR d CG2 ? ? 1 +39399 C CG2 B THR X 206 0.3549 0.8404 0.7615 0.0256 -0.0110 0.0285 217 THR d CG2 ? ? 1 +39400 N N A VAL X 207 0.3887 0.8562 0.7684 0.0292 -0.0220 0.0195 218 VAL d N ? ? 1 +39401 N N B VAL X 207 0.3854 0.8529 0.7650 0.0293 -0.0220 0.0196 218 VAL d N ? ? 1 +39402 C CA A VAL X 207 0.4051 0.8635 0.7691 0.0318 -0.0264 0.0182 218 VAL d CA ? ? 1 +39403 C CA B VAL X 207 0.4022 0.8603 0.7658 0.0318 -0.0263 0.0182 218 VAL d CA ? ? 1 +39404 C C A VAL X 207 0.4214 0.8699 0.7710 0.0347 -0.0218 0.0174 218 VAL d C ? ? 1 +39405 C C B VAL X 207 0.4180 0.8665 0.7676 0.0348 -0.0214 0.0175 218 VAL d C ? ? 1 +39406 O O A VAL X 207 0.4350 0.8756 0.7710 0.0376 -0.0198 0.0189 218 VAL d O ? ? 1 +39407 O O B VAL X 207 0.4308 0.8719 0.7677 0.0375 -0.0184 0.0193 218 VAL d O ? ? 1 +39408 C CB A VAL X 207 0.4044 0.8640 0.7699 0.0304 -0.0359 0.0144 218 VAL d CB ? ? 1 +39409 C CB B VAL X 207 0.4018 0.8610 0.7667 0.0305 -0.0358 0.0144 218 VAL d CB ? ? 1 +39410 C CG1 A VAL X 207 0.4222 0.8714 0.7703 0.0333 -0.0404 0.0122 218 VAL d CG1 ? ? 1 +39411 C CG1 B VAL X 207 0.4195 0.8684 0.7670 0.0334 -0.0404 0.0122 218 VAL d CG1 ? ? 1 +39412 C CG2 A VAL X 207 0.3923 0.8606 0.7696 0.0282 -0.0406 0.0154 218 VAL d CG2 ? ? 1 +39413 C CG2 B VAL X 207 0.3898 0.8577 0.7666 0.0282 -0.0407 0.0152 218 VAL d CG2 ? ? 1 +39414 N N A GLU X 208 0.4213 0.8700 0.7735 0.0342 -0.0199 0.0152 219 GLU d N ? ? 1 +39415 N N B GLU X 208 0.4186 0.8669 0.7702 0.0343 -0.0202 0.0150 219 GLU d N ? ? 1 +39416 C CA A GLU X 208 0.4371 0.8764 0.7758 0.0371 -0.0161 0.0138 219 GLU d CA ? ? 1 +39417 C CA B GLU X 208 0.4340 0.8731 0.7726 0.0371 -0.0161 0.0137 219 GLU d CA ? ? 1 +39418 C C A GLU X 208 0.4429 0.8796 0.7771 0.0392 -0.0067 0.0170 219 GLU d C ? ? 1 +39419 C C B GLU X 208 0.4383 0.8757 0.7736 0.0391 -0.0065 0.0170 219 GLU d C ? ? 1 +39420 O O A GLU X 208 0.4575 0.8852 0.7779 0.0422 -0.0033 0.0163 219 GLU d O ? ? 1 +39421 O O B GLU X 208 0.4523 0.8810 0.7745 0.0419 -0.0026 0.0164 219 GLU d O ? ? 1 +39422 C CB A GLU X 208 0.4338 0.8743 0.7777 0.0359 -0.0164 0.0107 219 GLU d CB ? ? 1 +39423 C CB B GLU X 208 0.4313 0.8714 0.7747 0.0360 -0.0165 0.0105 219 GLU d CB ? ? 1 +39424 C CG A GLU X 208 0.4387 0.8759 0.7788 0.0349 -0.0249 0.0065 219 GLU d CG ? ? 1 +39425 C CG B GLU X 208 0.4358 0.8730 0.7759 0.0349 -0.0252 0.0064 219 GLU d CG ? ? 1 +39426 C CD A GLU X 208 0.4585 0.8838 0.7794 0.0381 -0.0270 0.0045 219 GLU d CD ? ? 1 +39427 C CD B GLU X 208 0.4555 0.8811 0.7767 0.0379 -0.0277 0.0044 219 GLU d CD ? ? 1 +39428 O OE1 A GLU X 208 0.4688 0.8871 0.7809 0.0402 -0.0229 0.0033 219 GLU d OE1 ? ? 1 +39429 O OE1 B GLU X 208 0.4668 0.8850 0.7787 0.0399 -0.0246 0.0027 219 GLU d OE1 ? ? 1 +39430 O OE2 A GLU X 208 0.4651 0.8879 0.7794 0.0387 -0.0326 0.0043 219 GLU d OE2 ? ? 1 +39431 O OE2 B GLU X 208 0.4617 0.8853 0.7768 0.0386 -0.0327 0.0047 219 GLU d OE2 ? ? 1 +39432 N N A ASN X 209 0.4323 0.8770 0.7780 0.0377 -0.0024 0.0203 220 ASN d N ? ? 1 +39433 N N B ASN X 209 0.4272 0.8726 0.7742 0.0374 -0.0026 0.0203 220 ASN d N ? ? 1 +39434 C CA A ASN X 209 0.4372 0.8808 0.7806 0.0391 0.0069 0.0233 220 ASN d CA ? ? 1 +39435 C CA B ASN X 209 0.4313 0.8761 0.7766 0.0387 0.0066 0.0234 220 ASN d CA ? ? 1 +39436 C C A ASN X 209 0.4423 0.8844 0.7818 0.0393 0.0085 0.0268 220 ASN d C ? ? 1 +39437 C C B ASN X 209 0.4348 0.8793 0.7781 0.0386 0.0079 0.0270 220 ASN d C ? ? 1 +39438 O O A ASN X 209 0.4453 0.8865 0.7831 0.0400 0.0163 0.0295 220 ASN d O ? ? 1 +39439 O O B ASN X 209 0.4329 0.8796 0.7793 0.0385 0.0153 0.0299 220 ASN d O ? ? 1 +39440 C CB A ASN X 209 0.4218 0.8752 0.7813 0.0372 0.0120 0.0240 220 ASN d CB ? ? 1 +39441 C CB B ASN X 209 0.4163 0.8705 0.7772 0.0370 0.0117 0.0239 220 ASN d CB ? ? 1 +39442 C CG A ASN X 209 0.4228 0.8748 0.7822 0.0382 0.0129 0.0210 220 ASN d CG ? ? 1 +39443 C CG B ASN X 209 0.4186 0.8704 0.7779 0.0382 0.0125 0.0208 220 ASN d CG ? ? 1 +39444 O OD1 A ASN X 209 0.4337 0.8794 0.7836 0.0409 0.0182 0.0205 220 ASN d OD1 ? ? 1 +39445 O OD1 B ASN X 209 0.4306 0.8751 0.7787 0.0410 0.0170 0.0202 220 ASN d OD1 ? ? 1 +39446 N ND2 A ASN X 209 0.4127 0.8698 0.7819 0.0361 0.0079 0.0189 220 ASN d ND2 ? ? 1 +39447 N ND2 B ASN X 209 0.4079 0.8652 0.7776 0.0361 0.0082 0.0187 220 ASN d ND2 ? ? 1 +39448 N N A THR X 210 0.4448 0.8862 0.7823 0.0389 0.0010 0.0267 221 THR d N ? ? 1 +39449 N N B THR X 210 0.4406 0.8824 0.7788 0.0387 0.0006 0.0267 221 THR d N ? ? 1 +39450 C CA A THR X 210 0.4527 0.8903 0.7833 0.0398 0.0014 0.0297 221 THR d CA ? ? 1 +39451 C CA B THR X 210 0.4491 0.8870 0.7801 0.0397 0.0012 0.0297 221 THR d CA ? ? 1 +39452 C C A THR X 210 0.4713 0.8983 0.7843 0.0427 -0.0044 0.0283 221 THR d C ? ? 1 +39453 C C B THR X 210 0.4681 0.8953 0.7815 0.0427 -0.0046 0.0283 221 THR d C ? ? 1 +39454 O O A THR X 210 0.4765 0.9001 0.7835 0.0437 -0.0068 0.0302 221 THR d O ? ? 1 +39455 O O B THR X 210 0.4734 0.8973 0.7808 0.0437 -0.0068 0.0303 221 THR d O ? ? 1 +39456 C CB A THR X 210 0.4372 0.8844 0.7824 0.0370 -0.0015 0.0315 221 THR d CB ? ? 1 +39457 C CB B THR X 210 0.4338 0.8812 0.7792 0.0369 -0.0013 0.0317 221 THR d CB ? ? 1 +39458 O OG1 A THR X 210 0.4291 0.8809 0.7811 0.0355 -0.0102 0.0286 221 THR d OG1 ? ? 1 +39459 O OG1 B THR X 210 0.4250 0.8773 0.7778 0.0353 -0.0100 0.0289 221 THR d OG1 ? ? 1 +39460 C CG2 A THR X 210 0.4228 0.8794 0.7834 0.0344 0.0052 0.0335 221 THR d CG2 ? ? 1 +39461 C CG2 B THR X 210 0.4196 0.8761 0.7802 0.0344 0.0056 0.0337 221 THR d CG2 ? ? 1 +39462 N N A LEU X 211 0.4837 0.9047 0.7878 0.0443 -0.0065 0.0249 222 LEU d N ? ? 1 +39463 N N B LEU X 211 0.4809 0.9022 0.7854 0.0443 -0.0068 0.0249 222 LEU d N ? ? 1 +39464 C CA A LEU X 211 0.5037 0.9140 0.7901 0.0473 -0.0119 0.0231 222 LEU d CA ? ? 1 +39465 C CA B LEU X 211 0.5013 0.9119 0.7882 0.0472 -0.0122 0.0231 222 LEU d CA ? ? 1 +39466 C C A LEU X 211 0.5231 0.9235 0.7936 0.0504 -0.0069 0.0262 222 LEU d C ? ? 1 +39467 C C B LEU X 211 0.5212 0.9219 0.7922 0.0503 -0.0072 0.0262 222 LEU d C ? ? 1 +39468 O O A LEU X 211 0.5267 0.9254 0.7956 0.0508 0.0022 0.0284 222 LEU d O ? ? 1 +39469 O O B LEU X 211 0.5248 0.9241 0.7945 0.0507 0.0020 0.0284 222 LEU d O ? ? 1 +39470 C CB A LEU X 211 0.5118 0.9165 0.7906 0.0486 -0.0127 0.0192 222 LEU d CB ? ? 1 +39471 C CB B LEU X 211 0.5097 0.9146 0.7888 0.0485 -0.0129 0.0192 222 LEU d CB ? ? 1 +39472 C CG A LEU X 211 0.5001 0.9117 0.7909 0.0459 -0.0180 0.0156 222 LEU d CG ? ? 1 +39473 C CG B LEU X 211 0.4984 0.9101 0.7892 0.0459 -0.0183 0.0156 222 LEU d CG ? ? 1 +39474 C CD1 A LEU X 211 0.5110 0.9153 0.7921 0.0474 -0.0179 0.0120 222 LEU d CD1 ? ? 1 +39475 C CD1 B LEU X 211 0.5094 0.9136 0.7903 0.0475 -0.0181 0.0120 222 LEU d CD1 ? ? 1 +39476 C CD2 A LEU X 211 0.4960 0.9112 0.7908 0.0445 -0.0281 0.0139 222 LEU d CD2 ? ? 1 +39477 C CD2 B LEU X 211 0.4945 0.9097 0.7893 0.0444 -0.0284 0.0138 222 LEU d CD2 ? ? 1 +39478 N N A PHE X 212 0.5383 0.9319 0.7969 0.0526 -0.0132 0.0261 223 PHE d N ? ? 1 +39479 N N B PHE X 212 0.5371 0.9309 0.7960 0.0525 -0.0133 0.0261 223 PHE d N ? ? 1 +39480 C CA A PHE X 212 0.5611 0.9424 0.8004 0.0562 -0.0098 0.0282 223 PHE d CA ? ? 1 +39481 C CA B PHE X 212 0.5604 0.9419 0.8000 0.0561 -0.0098 0.0282 223 PHE d CA ? ? 1 +39482 C C A PHE X 212 0.5819 0.9530 0.8055 0.0590 -0.0090 0.0254 223 PHE d C ? ? 1 +39483 C C B PHE X 212 0.5812 0.9527 0.8055 0.0588 -0.0087 0.0254 223 PHE d C ? ? 1 +39484 O O A PHE X 212 0.5827 0.9545 0.8071 0.0587 -0.0151 0.0213 223 PHE d O ? ? 1 +39485 O O B PHE X 212 0.5815 0.9542 0.8075 0.0584 -0.0142 0.0214 223 PHE d O ? ? 1 +39486 C CB A PHE X 212 0.5676 0.9450 0.7992 0.0580 -0.0175 0.0288 223 PHE d CB ? ? 1 +39487 C CB B PHE X 212 0.5676 0.9449 0.7991 0.0580 -0.0174 0.0289 223 PHE d CB ? ? 1 +39488 C CG A PHE X 212 0.5556 0.9400 0.7985 0.0561 -0.0171 0.0322 223 PHE d CG ? ? 1 +39489 C CG B PHE X 212 0.5559 0.9402 0.7986 0.0561 -0.0170 0.0323 223 PHE d CG ? ? 1 +39490 C CD1 A PHE X 212 0.5564 0.9391 0.7986 0.0558 -0.0081 0.0366 223 PHE d CD1 ? ? 1 +39491 C CD1 B PHE X 212 0.5559 0.9391 0.7989 0.0556 -0.0079 0.0366 223 PHE d CD1 ? ? 1 +39492 C CD2 A PHE X 212 0.5437 0.9364 0.7980 0.0545 -0.0255 0.0311 223 PHE d CD2 ? ? 1 +39493 C CD2 B PHE X 212 0.5453 0.9371 0.7983 0.0548 -0.0257 0.0311 223 PHE d CD2 ? ? 1 +39494 C CE1 A PHE X 212 0.5463 0.9349 0.7985 0.0540 -0.0078 0.0396 223 PHE d CE1 ? ? 1 +39495 C CE1 B PHE X 212 0.5459 0.9350 0.7988 0.0538 -0.0076 0.0397 223 PHE d CE1 ? ? 1 +39496 C CE2 A PHE X 212 0.5335 0.9322 0.7978 0.0530 -0.0250 0.0342 223 PHE d CE2 ? ? 1 +39497 C CE2 B PHE X 212 0.5356 0.9333 0.7983 0.0533 -0.0253 0.0343 223 PHE d CE2 ? ? 1 +39498 C CZ A PHE X 212 0.5351 0.9315 0.7981 0.0527 -0.0162 0.0384 223 PHE d CZ ? ? 1 +39499 C CZ B PHE X 212 0.5361 0.9322 0.7986 0.0528 -0.0163 0.0385 223 PHE d CZ ? ? 1 +39500 N N A GLN X 213 0.6015 0.9629 0.8108 0.0615 -0.0011 0.0275 224 GLN d N ? ? 1 +39501 N N B GLN X 213 0.6017 0.9632 0.8110 0.0615 -0.0012 0.0275 224 GLN d N ? ? 1 +39502 C CA A GLN X 213 0.6236 0.9740 0.8157 0.0647 -0.0001 0.0251 224 GLN d CA ? ? 1 +39503 C CA B GLN X 213 0.6242 0.9747 0.8165 0.0647 -0.0001 0.0251 224 GLN d CA ? ? 1 +39504 C C A GLN X 213 0.6456 0.9855 0.8199 0.0680 -0.0081 0.0239 224 GLN d C ? ? 1 +39505 C C B GLN X 213 0.6462 0.9864 0.8209 0.0679 -0.0083 0.0238 224 GLN d C ? ? 1 +39506 O O A GLN X 213 0.6593 0.9908 0.8205 0.0704 -0.0060 0.0268 224 GLN d O ? ? 1 +39507 O O B GLN X 213 0.6609 0.9922 0.8218 0.0705 -0.0061 0.0267 224 GLN d O ? ? 1 +39508 C CB A GLN X 213 0.6341 0.9780 0.8173 0.0663 0.0116 0.0276 224 GLN d CB ? ? 1 +39509 C CB B GLN X 213 0.6354 0.9792 0.8184 0.0663 0.0115 0.0276 224 GLN d CB ? ? 1 +39510 C CG A GLN X 213 0.6534 0.9855 0.8184 0.0697 0.0128 0.0249 224 GLN d CG ? ? 1 +39511 C CG B GLN X 213 0.6552 0.9872 0.8200 0.0698 0.0125 0.0248 224 GLN d CG ? ? 1 +39512 C CD A GLN X 213 0.6664 0.9913 0.8212 0.0716 0.0244 0.0274 224 GLN d CD ? ? 1 +39513 C CD B GLN X 213 0.6685 0.9936 0.8234 0.0716 0.0242 0.0272 224 GLN d CD ? ? 1 +39514 O OE1 A GLN X 213 0.6615 0.9906 0.8232 0.0701 0.0321 0.0311 224 GLN d OE1 ? ? 1 +39515 O OE1 B GLN X 213 0.6630 0.9928 0.8259 0.0699 0.0322 0.0308 224 GLN d OE1 ? ? 1 +39516 N NE2 A GLN X 213 0.6847 0.9985 0.8224 0.0749 0.0259 0.0252 224 GLN d NE2 ? ? 1 +39517 N NE2 B GLN X 213 0.6876 1.0011 0.8247 0.0750 0.0254 0.0251 224 GLN d NE2 ? ? 1 +39518 N N A ASP X 214 0.6519 0.9925 0.8262 0.0680 -0.0175 0.0194 225 ASP d N ? ? 1 +39519 N N B ASP X 214 0.6520 0.9932 0.8273 0.0678 -0.0178 0.0194 225 ASP d N ? ? 1 +39520 C CA A ASP X 214 0.6723 1.0047 0.8318 0.0710 -0.0266 0.0176 225 ASP d CA ? ? 1 +39521 C CA B ASP X 214 0.6730 1.0060 0.8334 0.0708 -0.0269 0.0175 225 ASP d CA ? ? 1 +39522 C C A ASP X 214 0.6960 1.0172 0.8382 0.0738 -0.0281 0.0139 225 ASP d C ? ? 1 +39523 C C B ASP X 214 0.6958 1.0183 0.8400 0.0734 -0.0287 0.0136 225 ASP d C ? ? 1 +39524 O O A ASP X 214 0.7115 1.0252 0.8402 0.0765 -0.0360 0.0116 225 ASP d O ? ? 1 +39525 O O B ASP X 214 0.7083 1.0261 0.8434 0.0751 -0.0379 0.0104 225 ASP d O ? ? 1 +39526 C CB A ASP X 214 0.6589 1.0014 0.8324 0.0686 -0.0372 0.0153 225 ASP d CB ? ? 1 +39527 C CB B ASP X 214 0.6597 1.0029 0.8342 0.0684 -0.0373 0.0154 225 ASP d CB ? ? 1 +39528 C CG A ASP X 214 0.6472 0.9977 0.8326 0.0670 -0.0373 0.0189 225 ASP d CG ? ? 1 +39529 C CG B ASP X 214 0.6478 0.9989 0.8344 0.0667 -0.0363 0.0193 225 ASP d CG ? ? 1 +39530 O OD1 A ASP X 214 0.6544 0.9996 0.8324 0.0686 -0.0312 0.0232 225 ASP d OD1 ? ? 1 +39531 O OD1 B ASP X 214 0.6556 1.0013 0.8346 0.0683 -0.0299 0.0235 225 ASP d OD1 ? ? 1 +39532 O OD2 A ASP X 214 0.6323 0.9939 0.8341 0.0640 -0.0431 0.0176 225 ASP d OD2 ? ? 1 +39533 O OD2 B ASP X 214 0.6326 0.9951 0.8361 0.0637 -0.0417 0.0182 225 ASP d OD2 ? ? 1 +39534 N N A GLY X 215 0.7024 1.0226 0.8451 0.0734 -0.0205 0.0132 226 GLY d N ? ? 1 +39535 N N B GLY X 215 0.7050 1.0240 0.8459 0.0738 -0.0198 0.0138 226 GLY d N ? ? 1 +39536 C CA A GLY X 215 0.7253 1.0343 0.8513 0.0762 -0.0203 0.0100 226 GLY d CA ? ? 1 +39537 C CA B GLY X 215 0.7265 1.0350 0.8516 0.0765 -0.0199 0.0103 226 GLY d CA ? ? 1 +39538 C C A GLY X 215 0.7368 1.0425 0.8596 0.0771 -0.0081 0.0117 226 GLY d C ? ? 1 +39539 C C B GLY X 215 0.7389 1.0436 0.8600 0.0774 -0.0077 0.0121 226 GLY d C ? ? 1 +39540 O O A GLY X 215 0.7238 1.0374 0.8598 0.0749 -0.0006 0.0149 226 GLY d O ? ? 1 +39541 O O B GLY X 215 0.7267 1.0382 0.8592 0.0756 0.0003 0.0157 226 GLY d O ? ? 1 +39542 N N . GLU X 216 0.7624 1.0561 0.8673 0.0803 -0.0064 0.0095 227 GLU d N ? ? 1 +39543 C CA . GLU X 216 0.7802 1.0692 0.8794 0.0819 0.0051 0.0107 227 GLU d CA ? ? 1 +39544 C CB . GLU X 216 0.8260 1.0982 0.8986 0.0867 0.0070 0.0105 227 GLU d CB ? ? 1 +39545 C CG . GLU X 216 0.8524 1.1181 0.9135 0.0886 0.0069 0.0144 227 GLU d CG ? ? 1 +39546 C CD . GLU X 216 0.8628 1.1320 0.9298 0.0875 0.0174 0.0198 227 GLU d CD ? ? 1 +39547 O OE1 . GLU X 216 0.8577 1.1332 0.9356 0.0857 0.0265 0.0209 227 GLU d OE1 ? ? 1 +39548 O OE2 . GLU X 216 0.8815 1.1471 0.9423 0.0883 0.0162 0.0230 227 GLU d OE2 ? ? 1 +39549 C C . GLU X 216 0.7708 1.0645 0.8794 0.0805 0.0071 0.0075 227 GLU d C ? ? 1 +39550 O O . GLU X 216 0.7746 1.0681 0.8841 0.0812 0.0169 0.0086 227 GLU d O ? ? 1 +39551 N N . GLY X 217 0.7577 1.0555 0.8735 0.0786 -0.0020 0.0034 228 GLY d N ? ? 1 +39552 C CA . GLY X 217 0.7487 1.0497 0.8723 0.0773 -0.0008 0.0002 228 GLY d CA ? ? 1 +39553 C C . GLY X 217 0.7244 1.0392 0.8704 0.0741 0.0049 0.0023 228 GLY d C ? ? 1 +39554 O O . GLY X 217 0.7094 1.0333 0.8682 0.0716 0.0044 0.0053 228 GLY d O ? ? 1 +39555 N N . ALA X 218 0.7178 1.0336 0.8680 0.0743 0.0101 0.0006 229 ALA d N ? ? 1 +39556 C CA . ALA X 218 0.6949 1.0234 0.8659 0.0715 0.0148 0.0020 229 ALA d CA ? ? 1 +39557 C CB . ALA X 218 0.6983 1.0244 0.8678 0.0735 0.0225 0.0006 229 ALA d CB ? ? 1 +39558 C C . ALA X 218 0.6751 1.0131 0.8622 0.0675 0.0063 0.0000 229 ALA d C ? ? 1 +39559 O O . ALA X 218 0.6557 1.0055 0.8612 0.0647 0.0083 0.0019 229 ALA d O ? ? 1 +39560 N N A SER X 219 0.6796 1.0124 0.8597 0.0672 -0.0028 -0.0040 230 SER d N ? ? 1 +39561 N N B SER X 219 0.6810 1.0138 0.8610 0.0672 -0.0029 -0.0039 230 SER d N ? ? 1 +39562 C CA A SER X 219 0.6642 1.0052 0.8578 0.0633 -0.0116 -0.0059 230 SER d CA ? ? 1 +39563 C CA B SER X 219 0.6668 1.0078 0.8603 0.0633 -0.0117 -0.0058 230 SER d CA ? ? 1 +39564 C C A SER X 219 0.6577 1.0024 0.8534 0.0623 -0.0170 -0.0038 230 SER d C ? ? 1 +39565 C C B SER X 219 0.6604 1.0055 0.8566 0.0621 -0.0175 -0.0038 230 SER d C ? ? 1 +39566 O O A SER X 219 0.6733 1.0099 0.8543 0.0644 -0.0219 -0.0047 230 SER d O ? ? 1 +39567 O O B SER X 219 0.6752 1.0130 0.8582 0.0637 -0.0237 -0.0052 230 SER d O ? ? 1 +39568 C CB A SER X 219 0.6744 1.0086 0.8601 0.0632 -0.0190 -0.0113 230 SER d CB ? ? 1 +39569 C CB B SER X 219 0.6775 1.0116 0.8630 0.0632 -0.0191 -0.0112 230 SER d CB ? ? 1 +39570 O OG A SER X 219 0.6636 1.0051 0.8606 0.0594 -0.0282 -0.0131 230 SER d OG ? ? 1 +39571 O OG B SER X 219 0.6695 1.0094 0.8635 0.0599 -0.0289 -0.0131 230 SER d OG ? ? 1 +39572 N N A THR X 220 0.6352 0.9921 0.8489 0.0592 -0.0163 -0.0011 231 THR d N ? ? 1 +39573 N N B THR X 220 0.6389 0.9959 0.8526 0.0593 -0.0158 -0.0007 231 THR d N ? ? 1 +39574 C CA A THR X 220 0.6284 0.9893 0.8450 0.0584 -0.0200 0.0016 231 THR d CA ? ? 1 +39575 C CA B THR X 220 0.6326 0.9937 0.8495 0.0584 -0.0198 0.0018 231 THR d CA ? ? 1 +39576 C C A THR X 220 0.6242 0.9885 0.8452 0.0562 -0.0313 -0.0014 231 THR d C ? ? 1 +39577 C C B THR X 220 0.6301 0.9948 0.8517 0.0562 -0.0311 -0.0011 231 THR d C ? ? 1 +39578 O O A THR X 220 0.6204 0.9872 0.8424 0.0561 -0.0356 0.0002 231 THR d O ? ? 1 +39579 O O B THR X 220 0.6231 0.9912 0.8473 0.0557 -0.0352 0.0006 231 THR d O ? ? 1 +39580 C CB A THR X 220 0.6089 0.9810 0.8425 0.0562 -0.0142 0.0057 231 THR d CB ? ? 1 +39581 C CB B THR X 220 0.6121 0.9846 0.8461 0.0562 -0.0140 0.0060 231 THR d CB ? ? 1 +39582 O OG1 A THR X 220 0.5914 0.9731 0.8422 0.0528 -0.0153 0.0042 231 THR d OG1 ? ? 1 +39583 O OG1 B THR X 220 0.5940 0.9762 0.8454 0.0527 -0.0153 0.0045 231 THR d OG1 ? ? 1 +39584 C CG2 A THR X 220 0.6133 0.9826 0.8426 0.0583 -0.0031 0.0088 231 THR d CG2 ? ? 1 +39585 C CG2 B THR X 220 0.6161 0.9859 0.8461 0.0582 -0.0029 0.0091 231 THR d CG2 ? ? 1 +39586 N N A PHE X 221 0.6250 0.9893 0.8486 0.0546 -0.0360 -0.0057 232 PHE d N ? ? 1 +39587 N N B PHE X 221 0.6355 0.9996 0.8587 0.0547 -0.0358 -0.0056 232 PHE d N ? ? 1 +39588 C CA A PHE X 221 0.6227 0.9912 0.8524 0.0518 -0.0463 -0.0090 232 PHE d CA ? ? 1 +39589 C CA B PHE X 221 0.6373 1.0054 0.8662 0.0520 -0.0461 -0.0089 232 PHE d CA ? ? 1 +39590 C C A PHE X 221 0.6436 1.0040 0.8576 0.0544 -0.0537 -0.0108 232 PHE d C ? ? 1 +39591 C C B PHE X 221 0.6630 1.0228 0.8759 0.0546 -0.0536 -0.0109 232 PHE d C ? ? 1 +39592 O O A PHE X 221 0.6387 1.0042 0.8578 0.0530 -0.0613 -0.0115 232 PHE d O ? ? 1 +39593 O O B PHE X 221 0.6586 1.0231 0.8765 0.0531 -0.0617 -0.0121 232 PHE d O ? ? 1 +39594 C CB A PHE X 221 0.6187 0.9876 0.8532 0.0494 -0.0487 -0.0133 232 PHE d CB ? ? 1 +39595 C CB B PHE X 221 0.6327 1.0013 0.8668 0.0496 -0.0483 -0.0132 232 PHE d CB ? ? 1 +39596 C CG A PHE X 221 0.6003 0.9780 0.8517 0.0467 -0.0432 -0.0119 232 PHE d CG ? ? 1 +39597 C CG B PHE X 221 0.6137 0.9916 0.8652 0.0468 -0.0430 -0.0117 232 PHE d CG ? ? 1 +39598 C CD1 A PHE X 221 0.5812 0.9709 0.8508 0.0429 -0.0456 -0.0107 232 PHE d CD1 ? ? 1 +39599 C CD1 B PHE X 221 0.5949 0.9848 0.8642 0.0431 -0.0455 -0.0104 232 PHE d CD1 ? ? 1 +39600 C CD2 A PHE X 221 0.6026 0.9765 0.8514 0.0482 -0.0356 -0.0118 232 PHE d CD2 ? ? 1 +39601 C CD2 B PHE X 221 0.6152 0.9897 0.8649 0.0481 -0.0355 -0.0116 232 PHE d CD2 ? ? 1 +39602 C CE1 A PHE X 221 0.5659 0.9633 0.8502 0.0407 -0.0407 -0.0095 232 PHE d CE1 ? ? 1 +39603 C CE1 B PHE X 221 0.5789 0.9769 0.8635 0.0408 -0.0407 -0.0090 232 PHE d CE1 ? ? 1 +39604 C CE2 A PHE X 221 0.5868 0.9687 0.8509 0.0461 -0.0310 -0.0106 232 PHE d CE2 ? ? 1 +39605 C CE2 B PHE X 221 0.5988 0.9818 0.8642 0.0459 -0.0310 -0.0103 232 PHE d CE2 ? ? 1 +39606 C CZ A PHE X 221 0.5688 0.9622 0.8502 0.0423 -0.0336 -0.0094 232 PHE d CZ ? ? 1 +39607 C CZ B PHE X 221 0.5810 0.9754 0.8634 0.0422 -0.0337 -0.0090 232 PHE d CZ ? ? 1 +39608 N N A ARG X 222 0.6696 1.0175 0.8642 0.0582 -0.0514 -0.0117 233 ARG d N ? ? 1 +39609 N N B ARG X 222 0.6954 1.0426 0.8889 0.0585 -0.0508 -0.0114 233 ARG d N ? ? 1 +39610 C CA A ARG X 222 0.6920 1.0306 0.8694 0.0611 -0.0583 -0.0137 233 ARG d CA ? ? 1 +39611 C CA B ARG X 222 0.7225 1.0602 0.8985 0.0615 -0.0575 -0.0134 233 ARG d CA ? ? 1 +39612 C C A ARG X 222 0.6952 1.0343 0.8692 0.0631 -0.0595 -0.0100 233 ARG d C ? ? 1 +39613 C C B ARG X 222 0.7264 1.0641 0.8983 0.0636 -0.0586 -0.0097 233 ARG d C ? ? 1 +39614 O O A ARG X 222 0.7051 1.0408 0.8708 0.0646 -0.0677 -0.0117 233 ARG d O ? ? 1 +39615 O O B ARG X 222 0.7379 1.0707 0.8992 0.0656 -0.0662 -0.0113 233 ARG d O ? ? 1 +39616 C CB A ARG X 222 0.7167 1.0411 0.8736 0.0651 -0.0543 -0.0150 233 ARG d CB ? ? 1 +39617 C CB B ARG X 222 0.7526 1.0763 0.9083 0.0654 -0.0533 -0.0146 233 ARG d CB ? ? 1 +39618 C CG A ARG X 222 0.7229 1.0445 0.8799 0.0638 -0.0543 -0.0192 233 ARG d CG ? ? 1 +39619 C CG B ARG X 222 0.7641 1.0852 0.9203 0.0641 -0.0534 -0.0189 233 ARG d CG ? ? 1 +39620 C CD A ARG X 222 0.7509 1.0575 0.8854 0.0677 -0.0539 -0.0219 233 ARG d CD ? ? 1 +39621 C CD B ARG X 222 0.7983 1.1048 0.9323 0.0677 -0.0553 -0.0222 233 ARG d CD ? ? 1 +39622 N NE A ARG X 222 0.7595 1.0629 0.8933 0.0661 -0.0573 -0.0270 233 ARG d NE ? ? 1 +39623 N NE B ARG X 222 0.8119 1.1164 0.9470 0.0656 -0.0593 -0.0275 233 ARG d NE ? ? 1 +39624 C CZ A ARG X 222 0.7793 1.0738 0.8994 0.0672 -0.0647 -0.0317 233 ARG d CZ ? ? 1 +39625 C CZ B ARG X 222 0.8394 1.1334 0.9588 0.0672 -0.0649 -0.0320 233 ARG d CZ ? ? 1 +39626 N NH1 A ARG X 222 0.7952 1.0823 0.8997 0.0704 -0.0693 -0.0319 233 ARG d NH1 ? ? 1 +39627 N NH1 B ARG X 222 0.8591 1.1436 0.9603 0.0711 -0.0679 -0.0321 233 ARG d NH1 ? ? 1 +39628 N NH2 A ARG X 222 0.7820 1.0748 0.9040 0.0649 -0.0677 -0.0363 233 ARG d NH2 ? ? 1 +39629 N NH2 B ARG X 222 0.8438 1.1361 0.9654 0.0650 -0.0675 -0.0365 233 ARG d NH2 ? ? 1 +39630 N N A ALA X 223 0.6892 1.0324 0.8696 0.0631 -0.0514 -0.0050 234 ALA d N ? ? 1 +39631 N N B ALA X 223 0.7201 1.0629 0.8999 0.0633 -0.0509 -0.0047 234 ALA d N ? ? 1 +39632 C CA A ALA X 223 0.6937 1.0363 0.8702 0.0650 -0.0512 -0.0010 234 ALA d CA ? ? 1 +39633 C CA B ALA X 223 0.7257 1.0678 0.9015 0.0651 -0.0507 -0.0007 234 ALA d CA ? ? 1 +39634 C C A ALA X 223 0.6811 1.0355 0.8739 0.0621 -0.0577 -0.0005 234 ALA d C ? ? 1 +39635 C C B ALA X 223 0.7169 1.0709 0.9091 0.0623 -0.0572 -0.0003 234 ALA d C ? ? 1 +39636 O O A ALA X 223 0.6723 1.0328 0.8741 0.0612 -0.0539 0.0035 234 ALA d O ? ? 1 +39637 O O B ALA X 223 0.7099 1.0700 0.9111 0.0614 -0.0534 0.0038 234 ALA d O ? ? 1 +39638 C CB A ALA X 223 0.6916 1.0335 0.8681 0.0658 -0.0396 0.0039 234 ALA d CB ? ? 1 +39639 C CB B ALA X 223 0.7221 1.0636 0.8981 0.0660 -0.0390 0.0042 234 ALA d CB ? ? 1 +39640 N N A PHE X 224 0.6836 1.0411 0.8800 0.0606 -0.0676 -0.0049 235 PHE d N ? ? 1 +39641 N N B PHE X 224 0.7230 1.0802 0.9190 0.0607 -0.0670 -0.0047 235 PHE d N ? ? 1 +39642 C CA A PHE X 224 0.6729 1.0414 0.8839 0.0582 -0.0746 -0.0051 235 PHE d CA ? ? 1 +39643 C CA B PHE X 224 0.7161 1.0840 0.9263 0.0584 -0.0741 -0.0049 235 PHE d CA ? ? 1 +39644 C C A PHE X 224 0.6864 1.0529 0.8915 0.0588 -0.0861 -0.0099 235 PHE d C ? ? 1 +39645 C C B PHE X 224 0.7358 1.1006 0.9382 0.0595 -0.0854 -0.0095 235 PHE d C ? ? 1 +39646 O O A PHE X 224 0.6958 1.0583 0.8960 0.0582 -0.0892 -0.0143 235 PHE d O ? ? 1 +39647 O O B PHE X 224 0.7514 1.1090 0.9436 0.0602 -0.0879 -0.0134 235 PHE d O ? ? 1 +39648 C CB A PHE X 224 0.6499 1.0311 0.8831 0.0531 -0.0728 -0.0054 235 PHE d CB ? ? 1 +39649 C CB B PHE X 224 0.6923 1.0730 0.9247 0.0532 -0.0730 -0.0056 235 PHE d CB ? ? 1 +39650 C CG A PHE X 224 0.6349 1.0274 0.8832 0.0504 -0.0801 -0.0060 235 PHE d CG ? ? 1 +39651 C CG B PHE X 224 0.6763 1.0683 0.9237 0.0506 -0.0803 -0.0062 235 PHE d CG ? ? 1 +39652 C CD1 A PHE X 224 0.6240 1.0227 0.8803 0.0504 -0.0782 -0.0019 235 PHE d CD1 ? ? 1 +39653 C CD1 B PHE X 224 0.6637 1.0619 0.9192 0.0505 -0.0784 -0.0020 235 PHE d CD1 ? ? 1 +39654 C CD2 A PHE X 224 0.6319 1.0285 0.8858 0.0480 -0.0888 -0.0109 235 PHE d CD2 ? ? 1 +39655 C CD2 B PHE X 224 0.6727 1.0687 0.9256 0.0482 -0.0891 -0.0111 235 PHE d CD2 ? ? 1 +39656 C CE1 A PHE X 224 0.6120 1.0210 0.8820 0.0482 -0.0848 -0.0025 235 PHE d CE1 ? ? 1 +39657 C CE1 B PHE X 224 0.6522 1.0606 0.9211 0.0484 -0.0850 -0.0026 235 PHE d CE1 ? ? 1 +39658 C CE2 A PHE X 224 0.6194 1.0268 0.8874 0.0457 -0.0952 -0.0116 235 PHE d CE2 ? ? 1 +39659 C CE2 B PHE X 224 0.6602 1.0669 0.9270 0.0459 -0.0955 -0.0117 235 PHE d CE2 ? ? 1 +39660 C CZ A PHE X 224 0.6096 1.0231 0.8855 0.0459 -0.0931 -0.0074 235 PHE d CZ ? ? 1 +39661 C CZ B PHE X 224 0.6500 1.0629 0.9248 0.0462 -0.0935 -0.0075 235 PHE d CZ ? ? 1 +39662 N N A ASN X 225 0.6908 1.0602 0.8965 0.0601 -0.0924 -0.0091 236 ASN d N ? ? 1 +39663 N N B ASN X 225 0.7422 1.1124 0.9492 0.0599 -0.0922 -0.0091 236 ASN d N ? ? 1 +39664 C CA A ASN X 225 0.7003 1.0694 0.9020 0.0610 -0.1038 -0.0136 236 ASN d CA ? ? 1 +39665 C CA B ASN X 225 0.7554 1.1249 0.9578 0.0608 -0.1036 -0.0135 236 ASN d CA ? ? 1 +39666 C C A ASN X 225 0.6837 1.0669 0.9049 0.0578 -0.1098 -0.0141 236 ASN d C ? ? 1 +39667 C C B ASN X 225 0.7403 1.1237 0.9618 0.0577 -0.1097 -0.0141 236 ASN d C ? ? 1 +39668 O O A ASN X 225 0.6733 1.0612 0.9006 0.0584 -0.1080 -0.0102 236 ASN d O ? ? 1 +39669 O O B ASN X 225 0.7256 1.1139 0.9536 0.0582 -0.1075 -0.0100 236 ASN d O ? ? 1 +39670 C CB A ASN X 225 0.7232 1.0809 0.9041 0.0667 -0.1068 -0.0125 236 ASN d CB ? ? 1 +39671 C CB B ASN X 225 0.7817 1.1394 0.9629 0.0665 -0.1063 -0.0125 236 ASN d CB ? ? 1 +39672 C CG A ASN X 225 0.7369 1.0930 0.9113 0.0682 -0.1187 -0.0176 236 ASN d CG ? ? 1 +39673 C CG B ASN X 225 0.8001 1.1559 0.9742 0.0681 -0.1182 -0.0175 236 ASN d CG ? ? 1 +39674 O OD1 A ASN X 225 0.7301 1.0953 0.9150 0.0672 -0.1264 -0.0189 236 ASN d OD1 ? ? 1 +39675 O OD1 B ASN X 225 0.7958 1.1597 0.9787 0.0678 -0.1259 -0.0185 236 ASN d OD1 ? ? 1 +39676 N ND2 A ASN X 225 0.7571 1.1017 0.9138 0.0706 -0.1206 -0.0206 236 ASN d ND2 ? ? 1 +39677 N ND2 B ASN X 225 0.8214 1.1664 0.9792 0.0701 -0.1201 -0.0209 236 ASN d ND2 ? ? 1 +39678 N N A PRO X 226 0.6811 1.0711 0.9123 0.0543 -0.1169 -0.0191 237 PRO d N ? ? 1 +39679 N N B PRO X 226 0.7436 1.1337 0.9747 0.0544 -0.1174 -0.0192 237 PRO d N ? ? 1 +39680 C CA A PRO X 226 0.6634 1.0674 0.9142 0.0508 -0.1220 -0.0200 237 PRO d CA ? ? 1 +39681 C CA B PRO X 226 0.7252 1.1294 0.9761 0.0510 -0.1222 -0.0199 237 PRO d CA ? ? 1 +39682 C C A PRO X 226 0.6631 1.0700 0.9135 0.0539 -0.1273 -0.0182 237 PRO d C ? ? 1 +39683 C C B PRO X 226 0.7235 1.1305 0.9736 0.0541 -0.1280 -0.0183 237 PRO d C ? ? 1 +39684 O O A PRO X 226 0.6470 1.0650 0.9135 0.0517 -0.1280 -0.0167 237 PRO d O ? ? 1 +39685 O O B PRO X 226 0.7063 1.1242 0.9722 0.0520 -0.1286 -0.0167 237 PRO d O ? ? 1 +39686 C CB A PRO X 226 0.6666 1.0733 0.9212 0.0479 -0.1300 -0.0264 237 PRO d CB ? ? 1 +39687 C CB B PRO X 226 0.7290 1.1366 0.9849 0.0477 -0.1299 -0.0263 237 PRO d CB ? ? 1 +39688 C CG A PRO X 226 0.6779 1.0742 0.9207 0.0480 -0.1258 -0.0282 237 PRO d CG ? ? 1 +39689 C CG B PRO X 226 0.7433 1.1396 0.9856 0.0483 -0.1266 -0.0283 237 PRO d CG ? ? 1 +39690 C CD A PRO X 226 0.6932 1.0775 0.9174 0.0533 -0.1200 -0.0243 237 PRO d CD ? ? 1 +39691 C CD B PRO X 226 0.7603 1.1445 0.9833 0.0538 -0.1217 -0.0246 237 PRO d CD ? ? 1 +39692 N N A THR X 227 0.6801 1.0768 0.9117 0.0591 -0.1312 -0.0184 238 THR d N ? ? 1 +39693 N N B THR X 227 0.7392 1.1358 0.9703 0.0592 -0.1321 -0.0188 238 THR d N ? ? 1 +39694 C CA A THR X 227 0.6837 1.0817 0.9126 0.0626 -0.1372 -0.0171 238 THR d CA ? ? 1 +39695 C CA B THR X 227 0.7442 1.1415 0.9717 0.0630 -0.1379 -0.0174 238 THR d CA ? ? 1 +39696 C C A THR X 227 0.6863 1.0775 0.9057 0.0665 -0.1304 -0.0109 238 THR d C ? ? 1 +39697 C C B THR X 227 0.7462 1.1357 0.9628 0.0670 -0.1308 -0.0112 238 THR d C ? ? 1 +39698 O O A THR X 227 0.6953 1.0850 0.9093 0.0702 -0.1348 -0.0095 238 THR d O ? ? 1 +39699 O O B THR X 227 0.7610 1.1466 0.9684 0.0714 -0.1353 -0.0100 238 THR d O ? ? 1 +39700 C CB A THR X 227 0.7022 1.0937 0.9167 0.0662 -0.1473 -0.0217 238 THR d CB ? ? 1 +39701 C CB B THR X 227 0.7618 1.1528 0.9751 0.0665 -0.1482 -0.0220 238 THR d CB ? ? 1 +39702 O OG1 A THR X 227 0.7216 1.0982 0.9150 0.0694 -0.1437 -0.0214 238 THR d OG1 ? ? 1 +39703 O OG1 B THR X 227 0.7825 1.1581 0.9737 0.0703 -0.1445 -0.0213 238 THR d OG1 ? ? 1 +39704 C CG2 A THR X 227 0.6967 1.0964 0.9222 0.0622 -0.1555 -0.0281 238 THR d CG2 ? ? 1 +39705 C CG2 B THR X 227 0.7563 1.1546 0.9798 0.0624 -0.1557 -0.0285 238 THR d CG2 ? ? 1 +39706 N N A GLN X 228 0.6790 1.0658 0.8963 0.0656 -0.1196 -0.0074 239 GLN d N ? ? 1 +39707 N N B GLN X 228 0.7318 1.1187 0.9491 0.0656 -0.1200 -0.0076 239 GLN d N ? ? 1 +39708 C CA A GLN X 228 0.6792 1.0597 0.8882 0.0685 -0.1122 -0.0015 239 GLN d CA ? ? 1 +39709 C CA B GLN X 228 0.7282 1.1089 0.9375 0.0685 -0.1125 -0.0017 239 GLN d CA ? ? 1 +39710 C C A GLN X 228 0.6582 1.0497 0.8840 0.0667 -0.1116 0.0016 239 GLN d C ? ? 1 +39711 C C B GLN X 228 0.7038 1.0957 0.9300 0.0667 -0.1123 0.0012 239 GLN d C ? ? 1 +39712 O O A GLN X 228 0.6391 1.0429 0.8842 0.0622 -0.1125 0.0002 239 GLN d O ? ? 1 +39713 O O B GLN X 228 0.6835 1.0878 0.9289 0.0622 -0.1138 -0.0004 239 GLN d O ? ? 1 +39714 C CB A GLN X 228 0.6800 1.0545 0.8844 0.0676 -0.1008 0.0010 239 GLN d CB ? ? 1 +39715 C CB B GLN X 228 0.7285 1.1034 0.9335 0.0675 -0.1010 0.0009 239 GLN d CB ? ? 1 +39716 C CG A GLN X 228 0.6583 1.0441 0.8832 0.0622 -0.0949 0.0019 239 GLN d CG ? ? 1 +39717 C CG B GLN X 228 0.7067 1.0928 0.9321 0.0622 -0.0949 0.0020 239 GLN d CG ? ? 1 +39718 C CD A GLN X 228 0.6597 1.0399 0.8799 0.0617 -0.0846 0.0036 239 GLN d CD ? ? 1 +39719 C CD B GLN X 228 0.7069 1.0874 0.9276 0.0616 -0.0845 0.0037 239 GLN d CD ? ? 1 +39720 O OE1 A GLN X 228 0.6703 1.0426 0.8793 0.0627 -0.0843 0.0008 239 GLN d OE1 ? ? 1 +39721 O OE1 B GLN X 228 0.7166 1.0889 0.9255 0.0628 -0.0840 0.0011 239 GLN d OE1 ? ? 1 +39722 N NE2 A GLN X 228 0.6481 1.0324 0.8771 0.0601 -0.0761 0.0079 239 GLN d NE2 ? ? 1 +39723 N NE2 B GLN X 228 0.6941 1.0790 0.9241 0.0599 -0.0760 0.0080 239 GLN d NE2 ? ? 1 +39724 N N A ALA X 229 0.6616 1.0479 0.8791 0.0703 -0.1098 0.0058 240 ALA d N ? ? 1 +39725 N N B ALA X 229 0.7050 1.0919 0.9233 0.0702 -0.1106 0.0055 240 ALA d N ? ? 1 +39726 C CA A ALA X 229 0.6446 1.0398 0.8758 0.0693 -0.1097 0.0088 240 ALA d CA ? ? 1 +39727 C CA B ALA X 229 0.6855 1.0813 0.9175 0.0692 -0.1102 0.0086 240 ALA d CA ? ? 1 +39728 C C A ALA X 229 0.6283 1.0274 0.8700 0.0659 -0.0988 0.0130 240 ALA d C ? ? 1 +39729 C C B ALA X 229 0.6686 1.0682 0.9109 0.0657 -0.0992 0.0128 240 ALA d C ? ? 1 +39730 O O A ALA X 229 0.6112 1.0216 0.8707 0.0628 -0.0984 0.0140 240 ALA d O ? ? 1 +39731 O O B ALA X 229 0.6509 1.0621 0.9117 0.0623 -0.0987 0.0135 240 ALA d O ? ? 1 +39732 C CB A ALA X 229 0.6583 1.0456 0.8756 0.0748 -0.1128 0.0114 240 ALA d CB ? ? 1 +39733 C CB B ALA X 229 0.6984 1.0864 0.9168 0.0746 -0.1131 0.0113 240 ALA d CB ? ? 1 +39734 N N A GLU X 230 0.6345 1.0244 0.8651 0.0666 -0.0901 0.0153 241 GLU d N ? ? 1 +39735 N N B GLU X 230 0.6753 1.0652 0.9059 0.0667 -0.0905 0.0153 241 GLU d N ? ? 1 +39736 C CA A GLU X 230 0.6213 1.0135 0.8596 0.0640 -0.0794 0.0196 241 GLU d CA ? ? 1 +39737 C CA B GLU X 230 0.6606 1.0528 0.8987 0.0642 -0.0797 0.0195 241 GLU d CA ? ? 1 +39738 C C A GLU X 230 0.5957 0.9979 0.8511 0.0590 -0.0758 0.0179 241 GLU d C ? ? 1 +39739 C C B GLU X 230 0.6276 1.0296 0.8826 0.0591 -0.0761 0.0179 241 GLU d C ? ? 1 +39740 O O A GLU X 230 0.5969 0.9987 0.8513 0.0580 -0.0781 0.0140 241 GLU d O ? ? 1 +39741 O O B GLU X 230 0.6278 1.0295 0.8820 0.0581 -0.0782 0.0141 241 GLU d O ? ? 1 +39742 C CB A GLU X 230 0.6421 1.0210 0.8622 0.0668 -0.0710 0.0225 241 GLU d CB ? ? 1 +39743 C CB B GLU X 230 0.6870 1.0657 0.9067 0.0669 -0.0714 0.0226 241 GLU d CB ? ? 1 +39744 C CG A GLU X 230 0.6650 1.0324 0.8667 0.0718 -0.0729 0.0250 241 GLU d CG ? ? 1 +39745 C CG B GLU X 230 0.7153 1.0826 0.9169 0.0720 -0.0729 0.0252 241 GLU d CG ? ? 1 +39746 C CD A GLU X 230 0.6884 1.0466 0.8727 0.0761 -0.0811 0.0216 241 GLU d CD ? ? 1 +39747 C CD B GLU X 230 0.7445 1.1027 0.9287 0.0763 -0.0814 0.0219 241 GLU d CD ? ? 1 +39748 O OE1 A GLU X 230 0.6889 1.0511 0.8771 0.0749 -0.0871 0.0167 241 GLU d OE1 ? ? 1 +39749 O OE1 B GLU X 230 0.7494 1.1116 0.9373 0.0752 -0.0876 0.0170 241 GLU d OE1 ? ? 1 +39750 O OE2 A GLU X 230 0.7104 1.0569 0.8765 0.0807 -0.0815 0.0238 241 GLU d OE2 ? ? 1 +39751 O OE2 B GLU X 230 0.7713 1.1179 0.9376 0.0809 -0.0817 0.0241 241 GLU d OE2 ? ? 1 +39752 N N A GLU X 231 0.5721 0.9826 0.8424 0.0559 -0.0701 0.0209 242 GLU d N ? ? 1 +39753 N N B GLU X 231 0.5982 1.0085 0.8681 0.0560 -0.0704 0.0210 242 GLU d N ? ? 1 +39754 C CA A GLU X 231 0.5512 0.9698 0.8362 0.0515 -0.0651 0.0203 242 GLU d CA ? ? 1 +39755 C CA B GLU X 231 0.5730 0.9913 0.8576 0.0516 -0.0652 0.0204 242 GLU d CA ? ? 1 +39756 C C A GLU X 231 0.5523 0.9626 0.8265 0.0523 -0.0582 0.0201 242 GLU d C ? ? 1 +39757 C C B GLU X 231 0.5678 0.9779 0.8418 0.0524 -0.0581 0.0203 242 GLU d C ? ? 1 +39758 O O A GLU X 231 0.5652 0.9650 0.8238 0.0555 -0.0537 0.0225 242 GLU d O ? ? 1 +39759 O O B GLU X 231 0.5795 0.9792 0.8380 0.0555 -0.0536 0.0227 242 GLU d O ? ? 1 +39760 C CB A GLU X 231 0.5375 0.9644 0.8373 0.0488 -0.0594 0.0241 242 GLU d CB ? ? 1 +39761 C CB B GLU X 231 0.5607 0.9876 0.8605 0.0489 -0.0597 0.0241 242 GLU d CB ? ? 1 +39762 C CG A GLU X 231 0.5476 0.9671 0.8382 0.0507 -0.0515 0.0290 242 GLU d CG ? ? 1 +39763 C CG B GLU X 231 0.5717 0.9918 0.8633 0.0506 -0.0514 0.0291 242 GLU d CG ? ? 1 +39764 C CD A GLU X 231 0.5344 0.9618 0.8396 0.0477 -0.0451 0.0325 242 GLU d CD ? ? 1 +39765 C CD B GLU X 231 0.5600 0.9886 0.8668 0.0475 -0.0459 0.0325 242 GLU d CD ? ? 1 +39766 O OE1 A GLU X 231 0.5192 0.9581 0.8419 0.0443 -0.0474 0.0314 242 GLU d OE1 ? ? 1 +39767 O OE1 B GLU X 231 0.5473 0.9873 0.8713 0.0443 -0.0486 0.0312 242 GLU d OE1 ? ? 1 +39768 O OE2 A GLU X 231 0.5409 0.9629 0.8399 0.0484 -0.0375 0.0362 242 GLU d OE2 ? ? 1 +39769 O OE2 B GLU X 231 0.5667 0.9901 0.8678 0.0482 -0.0385 0.0364 242 GLU d OE2 ? ? 1 +39770 N N A THR X 232 0.5370 0.9516 0.8191 0.0496 -0.0575 0.0172 243 THR d N ? ? 1 +39771 N N B THR X 232 0.5474 0.9621 0.8296 0.0497 -0.0573 0.0175 243 THR d N ? ? 1 +39772 C CA A THR X 232 0.5413 0.9485 0.8137 0.0506 -0.0520 0.0163 243 THR d CA ? ? 1 +39773 C CA B THR X 232 0.5487 0.9561 0.8213 0.0505 -0.0518 0.0165 243 THR d CA ? ? 1 +39774 C C A THR X 232 0.5299 0.9398 0.8092 0.0490 -0.0412 0.0196 243 THR d C ? ? 1 +39775 C C B THR X 232 0.5352 0.9456 0.8153 0.0488 -0.0412 0.0196 243 THR d C ? ? 1 +39776 O O A THR X 232 0.5378 0.9410 0.8081 0.0503 -0.0349 0.0198 243 THR d O ? ? 1 +39777 O O B THR X 232 0.5413 0.9455 0.8132 0.0500 -0.0350 0.0196 243 THR d O ? ? 1 +39778 C CB A THR X 232 0.5382 0.9475 0.8141 0.0488 -0.0572 0.0112 243 THR d CB ? ? 1 +39779 C CB B THR X 232 0.5454 0.9547 0.8211 0.0489 -0.0574 0.0113 243 THR d CB ? ? 1 +39780 O OG1 A THR X 232 0.5524 0.9516 0.8140 0.0509 -0.0537 0.0097 243 THR d OG1 ? ? 1 +39781 O OG1 B THR X 232 0.5608 0.9595 0.8213 0.0512 -0.0545 0.0098 243 THR d OG1 ? ? 1 +39782 C CG2 A THR X 232 0.5183 0.9394 0.8143 0.0443 -0.0555 0.0106 243 THR d CG2 ? ? 1 +39783 C CG2 B THR X 232 0.5260 0.9466 0.8213 0.0444 -0.0555 0.0106 243 THR d CG2 ? ? 1 +39784 N N A TYR X 233 0.5095 0.9295 0.8049 0.0462 -0.0395 0.0219 244 TYR d N ? ? 1 +39785 N N B TYR X 233 0.5133 0.9335 0.8091 0.0461 -0.0392 0.0221 244 TYR d N ? ? 1 +39786 C CA A TYR X 233 0.4971 0.9212 0.8011 0.0444 -0.0300 0.0250 244 TYR d CA ? ? 1 +39787 C CA B TYR X 233 0.4993 0.9236 0.8036 0.0444 -0.0297 0.0252 244 TYR d CA ? ? 1 +39788 C C A TYR X 233 0.4897 0.9171 0.7989 0.0439 -0.0279 0.0291 244 TYR d C ? ? 1 +39789 C C B TYR X 233 0.4920 0.9196 0.8014 0.0439 -0.0278 0.0292 244 TYR d C ? ? 1 +39790 O O A TYR X 233 0.4891 0.9179 0.7989 0.0444 -0.0345 0.0292 244 TYR d O ? ? 1 +39791 O O B TYR X 233 0.4910 0.9203 0.8015 0.0443 -0.0345 0.0292 244 TYR d O ? ? 1 +39792 C CB A TYR X 233 0.4793 0.9138 0.8006 0.0408 -0.0293 0.0233 244 TYR d CB ? ? 1 +39793 C CB B TYR X 233 0.4809 0.9155 0.8024 0.0407 -0.0292 0.0233 244 TYR d CB ? ? 1 +39794 C CG A TYR X 233 0.4634 0.9086 0.8006 0.0378 -0.0352 0.0228 244 TYR d CG ? ? 1 +39795 C CG B TYR X 233 0.4644 0.9098 0.8019 0.0377 -0.0350 0.0229 244 TYR d CG ? ? 1 +39796 C CD1 A TYR X 233 0.4639 0.9106 0.8018 0.0374 -0.0445 0.0193 244 TYR d CD1 ? ? 1 +39797 C CD1 B TYR X 233 0.4645 0.9116 0.8032 0.0373 -0.0443 0.0194 244 TYR d CD1 ? ? 1 +39798 C CD2 A TYR X 233 0.4478 0.9017 0.7993 0.0353 -0.0315 0.0256 244 TYR d CD2 ? ? 1 +39799 C CD2 B TYR X 233 0.4485 0.9025 0.8002 0.0353 -0.0310 0.0258 244 TYR d CD2 ? ? 1 +39800 C CE1 A TYR X 233 0.4494 0.9062 0.8022 0.0347 -0.0495 0.0187 244 TYR d CE1 ? ? 1 +39801 C CE1 B TYR X 233 0.4493 0.9067 0.8031 0.0345 -0.0491 0.0190 244 TYR d CE1 ? ? 1 +39802 C CE2 A TYR X 233 0.4339 0.8974 0.7996 0.0327 -0.0366 0.0251 244 TYR d CE2 ? ? 1 +39803 C CE2 B TYR X 233 0.4343 0.8979 0.8003 0.0327 -0.0360 0.0254 244 TYR d CE2 ? ? 1 +39804 C CZ A TYR X 233 0.4348 0.8998 0.8012 0.0325 -0.0455 0.0217 244 TYR d CZ ? ? 1 +39805 C CZ B TYR X 233 0.4349 0.9003 0.8020 0.0323 -0.0449 0.0220 244 TYR d CZ ? ? 1 +39806 O OH A TYR X 233 0.4219 0.8965 0.8025 0.0299 -0.0501 0.0212 244 TYR d OH ? ? 1 +39807 O OH B TYR X 233 0.4219 0.8970 0.8034 0.0297 -0.0493 0.0216 244 TYR d OH ? ? 1 +39808 N N A SER X 234 0.4832 0.9121 0.7963 0.0429 -0.0188 0.0324 245 SER d N ? ? 1 +39809 N N B SER X 234 0.4855 0.9140 0.7981 0.0431 -0.0186 0.0326 245 SER d N ? ? 1 +39810 C CA A SER X 234 0.4775 0.9082 0.7943 0.0423 -0.0157 0.0364 245 SER d CA ? ? 1 +39811 C CA B SER X 234 0.4794 0.9098 0.7958 0.0424 -0.0156 0.0366 245 SER d CA ? ? 1 +39812 C C A SER X 234 0.4558 0.8995 0.7933 0.0385 -0.0162 0.0370 245 SER d C ? ? 1 +39813 C C B SER X 234 0.4575 0.9010 0.7946 0.0386 -0.0161 0.0371 245 SER d C ? ? 1 +39814 O O A SER X 234 0.4468 0.8970 0.7954 0.0362 -0.0110 0.0371 245 SER d O ? ? 1 +39815 O O B SER X 234 0.4497 0.8995 0.7977 0.0363 -0.0106 0.0374 245 SER d O ? ? 1 +39816 C CB A SER X 234 0.4850 0.9101 0.7949 0.0430 -0.0054 0.0396 245 SER d CB ? ? 1 +39817 C CB B SER X 234 0.4868 0.9117 0.7964 0.0431 -0.0053 0.0398 245 SER d CB ? ? 1 +39818 O OG A SER X 234 0.4798 0.9074 0.7950 0.0418 -0.0023 0.0434 245 SER d OG ? ? 1 +39819 O OG B SER X 234 0.4809 0.9089 0.7967 0.0417 -0.0023 0.0435 245 SER d OG ? ? 1 +39820 N N A MET X 235 0.4489 0.8962 0.7912 0.0382 -0.0225 0.0373 246 MET d N ? ? 1 +39821 N N B MET X 235 0.4502 0.8975 0.7924 0.0382 -0.0225 0.0374 246 MET d N ? ? 1 +39822 C CA A MET X 235 0.4290 0.8881 0.7899 0.0348 -0.0234 0.0379 246 MET d CA ? ? 1 +39823 C CA B MET X 235 0.4300 0.8891 0.7909 0.0348 -0.0232 0.0380 246 MET d CA ? ? 1 +39824 C C A MET X 235 0.4235 0.8842 0.7891 0.0334 -0.0153 0.0419 246 MET d C ? ? 1 +39825 C C B MET X 235 0.4243 0.8850 0.7900 0.0334 -0.0148 0.0420 246 MET d C ? ? 1 +39826 O O A MET X 235 0.4080 0.8781 0.7889 0.0303 -0.0128 0.0425 246 MET d O ? ? 1 +39827 O O B MET X 235 0.4092 0.8792 0.7900 0.0303 -0.0120 0.0425 246 MET d O ? ? 1 +39828 C CB A MET X 235 0.4266 0.8883 0.7898 0.0353 -0.0322 0.0371 246 MET d CB ? ? 1 +39829 C CB B MET X 235 0.4275 0.8891 0.7908 0.0353 -0.0316 0.0375 246 MET d CB ? ? 1 +39830 C CG A MET X 235 0.4085 0.8818 0.7900 0.0320 -0.0339 0.0372 246 MET d CG ? ? 1 +39831 C CG B MET X 235 0.4093 0.8827 0.7911 0.0319 -0.0335 0.0376 246 MET d CG ? ? 1 +39832 S SD A MET X 235 0.3968 0.8790 0.7914 0.0289 -0.0369 0.0332 246 MET d SD ? ? 1 +39833 S SD B MET X 235 0.3988 0.8808 0.7929 0.0291 -0.0374 0.0332 246 MET d SD ? ? 1 +39834 C CE A MET X 235 0.3769 0.8715 0.7912 0.0255 -0.0379 0.0343 246 MET d CE ? ? 1 +39835 C CE B MET X 235 0.3779 0.8727 0.7923 0.0255 -0.0389 0.0341 246 MET d CE ? ? 1 +39836 N N A VAL X 236 0.4371 0.8882 0.7889 0.0357 -0.0113 0.0447 247 VAL d N ? ? 1 +39837 N N B VAL X 236 0.4379 0.8893 0.7902 0.0356 -0.0110 0.0448 247 VAL d N ? ? 1 +39838 C CA A VAL X 236 0.4351 0.8864 0.7897 0.0344 -0.0035 0.0485 247 VAL d CA ? ? 1 +39839 C CA B VAL X 236 0.4361 0.8877 0.7913 0.0342 -0.0032 0.0487 247 VAL d CA ? ? 1 +39840 C C A VAL X 236 0.4301 0.8848 0.7908 0.0325 0.0050 0.0487 247 VAL d C ? ? 1 +39841 C C B VAL X 236 0.4317 0.8863 0.7923 0.0324 0.0054 0.0490 247 VAL d C ? ? 1 +39842 O O A VAL X 236 0.4179 0.8804 0.7917 0.0296 0.0094 0.0503 247 VAL d O ? ? 1 +39843 O O B VAL X 236 0.4202 0.8821 0.7933 0.0296 0.0102 0.0507 247 VAL d O ? ? 1 +39844 C CB A VAL X 236 0.4533 0.8921 0.7901 0.0374 -0.0013 0.0513 247 VAL d CB ? ? 1 +39845 C CB B VAL X 236 0.4546 0.8937 0.7921 0.0372 -0.0014 0.0515 247 VAL d CB ? ? 1 +39846 C CG1 A VAL X 236 0.4536 0.8914 0.7921 0.0356 0.0082 0.0551 247 VAL d CG1 ? ? 1 +39847 C CG1 B VAL X 236 0.4551 0.8932 0.7941 0.0355 0.0081 0.0554 247 VAL d CG1 ? ? 1 +39848 C CG2 A VAL X 236 0.4568 0.8930 0.7892 0.0394 -0.0095 0.0515 247 VAL d CG2 ? ? 1 +39849 C CG2 B VAL X 236 0.4571 0.8944 0.7912 0.0391 -0.0097 0.0516 247 VAL d CG2 ? ? 1 +39850 N N A THR X 237 0.4394 0.8886 0.7906 0.0343 0.0071 0.0470 248 THR d N ? ? 1 +39851 N N B THR X 237 0.4408 0.8898 0.7918 0.0343 0.0074 0.0472 248 THR d N ? ? 1 +39852 C CA A THR X 237 0.4360 0.8883 0.7922 0.0332 0.0149 0.0468 248 THR d CA ? ? 1 +39853 C CA B THR X 237 0.4373 0.8894 0.7933 0.0331 0.0152 0.0470 248 THR d CA ? ? 1 +39854 C C A THR X 237 0.4186 0.8827 0.7925 0.0305 0.0128 0.0446 248 THR d C ? ? 1 +39855 C C B THR X 237 0.4200 0.8838 0.7935 0.0305 0.0130 0.0448 248 THR d C ? ? 1 +39856 O O A THR X 237 0.4093 0.8805 0.7947 0.0283 0.0185 0.0455 248 THR d O ? ? 1 +39857 O O B THR X 237 0.4114 0.8821 0.7960 0.0285 0.0189 0.0455 248 THR d O ? ? 1 +39858 C CB A THR X 237 0.4513 0.8938 0.7918 0.0362 0.0172 0.0454 248 THR d CB ? ? 1 +39859 C CB B THR X 237 0.4528 0.8949 0.7928 0.0362 0.0178 0.0457 248 THR d CB ? ? 1 +39860 O OG1 A THR X 237 0.4667 0.8986 0.7918 0.0383 0.0213 0.0481 248 THR d OG1 ? ? 1 +39861 O OG1 B THR X 237 0.4677 0.8994 0.7927 0.0382 0.0219 0.0486 248 THR d OG1 ? ? 1 +39862 C CG2 A THR X 237 0.4476 0.8941 0.7941 0.0354 0.0241 0.0444 248 THR d CG2 ? ? 1 +39863 C CG2 B THR X 237 0.4499 0.8957 0.7955 0.0355 0.0249 0.0448 248 THR d CG2 ? ? 1 +39864 N N A ALA X 238 0.4146 0.8806 0.7904 0.0306 0.0045 0.0416 249 ALA d N ? ? 1 +39865 N N B ALA X 238 0.4148 0.8810 0.7909 0.0305 0.0045 0.0420 249 ALA d N ? ? 1 +39866 C CA A ALA X 238 0.3984 0.8747 0.7900 0.0281 0.0019 0.0396 249 ALA d CA ? ? 1 +39867 C CA B ALA X 238 0.3986 0.8749 0.7901 0.0280 0.0019 0.0398 249 ALA d CA ? ? 1 +39868 C C A ALA X 238 0.3833 0.8690 0.7902 0.0251 0.0032 0.0417 249 ALA d C ? ? 1 +39869 C C B ALA X 238 0.3825 0.8686 0.7900 0.0250 0.0028 0.0417 249 ALA d C ? ? 1 +39870 O O A ALA X 238 0.3718 0.8654 0.7912 0.0230 0.0066 0.0416 249 ALA d O ? ? 1 +39871 O O B ALA X 238 0.3705 0.8647 0.7907 0.0228 0.0055 0.0413 249 ALA d O ? ? 1 +39872 C CB A ALA X 238 0.3979 0.8743 0.7887 0.0283 -0.0075 0.0363 249 ALA d CB ? ? 1 +39873 C CB B ALA X 238 0.3986 0.8747 0.7888 0.0284 -0.0073 0.0364 249 ALA d CB ? ? 1 +39874 N N A ASN X 239 0.3839 0.8684 0.7892 0.0251 0.0004 0.0437 250 ASN d N ? ? 1 +39875 N N B ASN X 239 0.3828 0.8678 0.7888 0.0250 0.0004 0.0438 250 ASN d N ? ? 1 +39876 C CA A ASN X 239 0.3704 0.8630 0.7891 0.0224 0.0010 0.0456 250 ASN d CA ? ? 1 +39877 C CA B ASN X 239 0.3690 0.8621 0.7886 0.0222 0.0011 0.0457 250 ASN d CA ? ? 1 +39878 C C A ASN X 239 0.3668 0.8618 0.7905 0.0209 0.0101 0.0481 250 ASN d C ? ? 1 +39879 C C B ASN X 239 0.3645 0.8599 0.7890 0.0207 0.0102 0.0483 250 ASN d C ? ? 1 +39880 O O A ASN X 239 0.3527 0.8568 0.7910 0.0182 0.0117 0.0484 250 ASN d O ? ? 1 +39881 O O B ASN X 239 0.3502 0.8548 0.7892 0.0180 0.0118 0.0487 250 ASN d O ? ? 1 +39882 C CB A ASN X 239 0.3745 0.8636 0.7882 0.0234 -0.0034 0.0472 250 ASN d CB ? ? 1 +39883 C CB B ASN X 239 0.3730 0.8629 0.7880 0.0231 -0.0034 0.0473 250 ASN d CB ? ? 1 +39884 C CG A ASN X 239 0.3632 0.8593 0.7892 0.0208 -0.0023 0.0495 250 ASN d CG ? ? 1 +39885 C CG B ASN X 239 0.3643 0.8598 0.7897 0.0208 -0.0010 0.0500 250 ASN d CG ? ? 1 +39886 O OD1 A ASN X 239 0.3663 0.8607 0.7917 0.0201 0.0039 0.0524 250 ASN d OD1 ? ? 1 +39887 O OD1 B ASN X 239 0.3701 0.8627 0.7930 0.0203 0.0056 0.0528 250 ASN d OD1 ? ? 1 +39888 N ND2 A ASN X 239 0.3512 0.8550 0.7883 0.0193 -0.0082 0.0482 250 ASN d ND2 ? ? 1 +39889 N ND2 B ASN X 239 0.3521 0.8553 0.7891 0.0191 -0.0063 0.0492 250 ASN d ND2 ? ? 1 +39890 N N A ARG X 240 0.3801 0.8668 0.7917 0.0226 0.0160 0.0498 251 ARG d N ? ? 1 +39891 N N B ARG X 240 0.3773 0.8646 0.7898 0.0224 0.0161 0.0498 251 ARG d N ? ? 1 +39892 C CA A ARG X 240 0.3781 0.8671 0.7943 0.0210 0.0249 0.0521 251 ARG d CA ? ? 1 +39893 C CA B ARG X 240 0.3751 0.8646 0.7921 0.0208 0.0250 0.0521 251 ARG d CA ? ? 1 +39894 C C A ARG X 240 0.3686 0.8647 0.7946 0.0200 0.0284 0.0502 251 ARG d C ? ? 1 +39895 C C B ARG X 240 0.3649 0.8616 0.7919 0.0198 0.0284 0.0502 251 ARG d C ? ? 1 +39896 O O A ARG X 240 0.3581 0.8626 0.7974 0.0175 0.0320 0.0509 251 ARG d O ? ? 1 +39897 O O B ARG X 240 0.3544 0.8597 0.7948 0.0173 0.0320 0.0509 251 ARG d O ? ? 1 +39898 C CB A ARG X 240 0.3962 0.8744 0.7968 0.0229 0.0310 0.0541 251 ARG d CB ? ? 1 +39899 C CB B ARG X 240 0.3932 0.8719 0.7946 0.0227 0.0311 0.0541 251 ARG d CB ? ? 1 +39900 C CG A ARG X 240 0.3950 0.8759 0.8014 0.0205 0.0394 0.0569 251 ARG d CG ? ? 1 +39901 C CG B ARG X 240 0.3921 0.8738 0.7996 0.0203 0.0398 0.0568 251 ARG d CG ? ? 1 +39902 C CD A ARG X 240 0.4127 0.8840 0.8053 0.0219 0.0469 0.0587 251 ARG d CD ? ? 1 +39903 C CD B ARG X 240 0.4106 0.8816 0.8033 0.0217 0.0464 0.0591 251 ARG d CD ? ? 1 +39904 N NE A ARG X 240 0.4106 0.8855 0.8106 0.0190 0.0551 0.0611 251 ARG d NE ? ? 1 +39905 N NE B ARG X 240 0.4087 0.8834 0.8088 0.0188 0.0547 0.0615 251 ARG d NE ? ? 1 +39906 C CZ A ARG X 240 0.4159 0.8866 0.8126 0.0178 0.0573 0.0641 251 ARG d CZ ? ? 1 +39907 C CZ B ARG X 240 0.4143 0.8850 0.8114 0.0175 0.0573 0.0645 251 ARG d CZ ? ? 1 +39908 N NH1 A ARG X 240 0.4195 0.8850 0.8098 0.0189 0.0510 0.0651 251 ARG d NH1 ? ? 1 +39909 N NH1 B ARG X 240 0.4186 0.8837 0.8089 0.0186 0.0513 0.0656 251 ARG d NH1 ? ? 1 +39910 N NH2 A ARG X 240 0.4180 0.8899 0.8182 0.0153 0.0661 0.0661 251 ARG d NH2 ? ? 1 +39911 N NH2 B ARG X 240 0.4159 0.8882 0.8171 0.0150 0.0660 0.0663 251 ARG d NH2 ? ? 1 +39912 N N A PHE X 241 0.3731 0.8655 0.7922 0.0221 0.0270 0.0476 252 PHE d N ? ? 1 +39913 N N B PHE X 241 0.3686 0.8617 0.7887 0.0220 0.0271 0.0477 252 PHE d N ? ? 1 +39914 C CA A PHE X 241 0.3653 0.8634 0.7922 0.0219 0.0297 0.0456 252 PHE d CA ? ? 1 +39915 C CA B PHE X 241 0.3606 0.8592 0.7884 0.0217 0.0299 0.0457 252 PHE d CA ? ? 1 +39916 C C A PHE X 241 0.3465 0.8561 0.7912 0.0191 0.0270 0.0449 252 PHE d C ? ? 1 +39917 C C B PHE X 241 0.3418 0.8518 0.7872 0.0190 0.0269 0.0449 252 PHE d C ? ? 1 +39918 O O A PHE X 241 0.3388 0.8555 0.7943 0.0176 0.0319 0.0455 252 PHE d O ? ? 1 +39919 O O B PHE X 241 0.3340 0.8512 0.7903 0.0176 0.0318 0.0453 252 PHE d O ? ? 1 +39920 C CB A PHE X 241 0.3732 0.8654 0.7905 0.0244 0.0261 0.0426 252 PHE d CB ? ? 1 +39921 C CB B PHE X 241 0.3684 0.8611 0.7864 0.0243 0.0263 0.0427 252 PHE d CB ? ? 1 +39922 C CG A PHE X 241 0.3669 0.8640 0.7914 0.0245 0.0283 0.0403 252 PHE d CG ? ? 1 +39923 C CG B PHE X 241 0.3622 0.8595 0.7870 0.0244 0.0284 0.0404 252 PHE d CG ? ? 1 +39924 C CD1 A PHE X 241 0.3720 0.8680 0.7943 0.0258 0.0361 0.0406 252 PHE d CD1 ? ? 1 +39925 C CD1 B PHE X 241 0.3680 0.8637 0.7898 0.0259 0.0361 0.0405 252 PHE d CD1 ? ? 1 +39926 C CD2 A PHE X 241 0.3560 0.8587 0.7895 0.0234 0.0226 0.0380 252 PHE d CD2 ? ? 1 +39927 C CD2 B PHE X 241 0.3509 0.8540 0.7851 0.0233 0.0228 0.0381 252 PHE d CD2 ? ? 1 +39928 C CE1 A PHE X 241 0.3673 0.8675 0.7959 0.0263 0.0379 0.0384 252 PHE d CE1 ? ? 1 +39929 C CE1 B PHE X 241 0.3635 0.8632 0.7912 0.0265 0.0378 0.0384 252 PHE d CE1 ? ? 1 +39930 C CE2 A PHE X 241 0.3518 0.8579 0.7910 0.0238 0.0245 0.0360 252 PHE d CE2 ? ? 1 +39931 C CE2 B PHE X 241 0.3469 0.8532 0.7864 0.0237 0.0247 0.0361 252 PHE d CE2 ? ? 1 +39932 C CZ A PHE X 241 0.3574 0.8624 0.7941 0.0254 0.0320 0.0362 252 PHE d CZ ? ? 1 +39933 C CZ B PHE X 241 0.3532 0.8578 0.7894 0.0255 0.0320 0.0362 252 PHE d CZ ? ? 1 +39934 N N A TRP X 242 0.3392 0.8505 0.7867 0.0185 0.0190 0.0436 253 TRP d N ? ? 1 +39935 N N B TRP X 242 0.3343 0.8459 0.7823 0.0184 0.0190 0.0437 253 TRP d N ? ? 1 +39936 C CA A TRP X 242 0.3222 0.8433 0.7851 0.0161 0.0158 0.0426 253 TRP d CA ? ? 1 +39937 C CA B TRP X 242 0.3172 0.8386 0.7806 0.0160 0.0157 0.0427 253 TRP d CA ? ? 1 +39938 C C A TRP X 242 0.3116 0.8396 0.7857 0.0135 0.0180 0.0451 253 TRP d C ? ? 1 +39939 C C B TRP X 242 0.3069 0.8351 0.7813 0.0134 0.0179 0.0451 253 TRP d C ? ? 1 +39940 O O A TRP X 242 0.2995 0.8359 0.7866 0.0117 0.0193 0.0449 253 TRP d O ? ? 1 +39941 O O B TRP X 242 0.2945 0.8312 0.7821 0.0115 0.0187 0.0448 253 TRP d O ? ? 1 +39942 C CB A TRP X 242 0.3192 0.8401 0.7817 0.0160 0.0070 0.0404 253 TRP d CB ? ? 1 +39943 C CB B TRP X 242 0.3141 0.8351 0.7768 0.0159 0.0069 0.0404 253 TRP d CB ? ? 1 +39944 C CG A TRP X 242 0.3241 0.8412 0.7807 0.0175 0.0049 0.0373 253 TRP d CG ? ? 1 +39945 C CG B TRP X 242 0.3186 0.8359 0.7756 0.0174 0.0047 0.0374 253 TRP d CG ? ? 1 +39946 C CD1 A TRP X 242 0.3355 0.8446 0.7794 0.0195 0.0007 0.0356 253 TRP d CD1 ? ? 1 +39947 C CD1 B TRP X 242 0.3296 0.8390 0.7740 0.0194 0.0005 0.0356 253 TRP d CD1 ? ? 1 +39948 C CD2 A TRP X 242 0.3192 0.8398 0.7818 0.0174 0.0071 0.0356 253 TRP d CD2 ? ? 1 +39949 C CD2 B TRP X 242 0.3137 0.8343 0.7765 0.0173 0.0070 0.0356 253 TRP d CD2 ? ? 1 +39950 N NE1 A TRP X 242 0.3378 0.8451 0.7797 0.0203 0.0003 0.0328 253 TRP d NE1 ? ? 1 +39951 N NE1 B TRP X 242 0.3320 0.8396 0.7743 0.0202 0.0000 0.0328 253 TRP d NE1 ? ? 1 +39952 C CE2 A TRP X 242 0.3282 0.8422 0.7812 0.0191 0.0042 0.0328 253 TRP d CE2 ? ? 1 +39953 C CE2 B TRP X 242 0.3225 0.8367 0.7757 0.0191 0.0040 0.0328 253 TRP d CE2 ? ? 1 +39954 C CE3 A TRP X 242 0.3081 0.8366 0.7832 0.0160 0.0111 0.0360 253 TRP d CE3 ? ? 1 +39955 C CE3 B TRP X 242 0.3027 0.8311 0.7778 0.0160 0.0111 0.0360 253 TRP d CE3 ? ? 1 +39956 C CZ2 A TRP X 242 0.3267 0.8414 0.7820 0.0196 0.0053 0.0306 253 TRP d CZ2 ? ? 1 +39957 C CZ2 B TRP X 242 0.3212 0.8359 0.7764 0.0196 0.0051 0.0306 253 TRP d CZ2 ? ? 1 +39958 C CZ3 A TRP X 242 0.3068 0.8361 0.7841 0.0168 0.0120 0.0338 253 TRP d CZ3 ? ? 1 +39959 C CZ3 B TRP X 242 0.3015 0.8307 0.7786 0.0168 0.0120 0.0338 253 TRP d CZ3 ? ? 1 +39960 C CH2 A TRP X 242 0.3162 0.8384 0.7835 0.0185 0.0092 0.0312 253 TRP d CH2 ? ? 1 +39961 C CH2 B TRP X 242 0.3108 0.8329 0.7779 0.0186 0.0091 0.0312 253 TRP d CH2 ? ? 1 +39962 N N A SER X 243 0.3170 0.8408 0.7853 0.0135 0.0184 0.0475 254 SER d N ? ? 1 +39963 N N B SER X 243 0.3131 0.8369 0.7815 0.0135 0.0186 0.0475 254 SER d N ? ? 1 +39964 C CA A SER X 243 0.3096 0.8383 0.7867 0.0111 0.0211 0.0499 254 SER d CA ? ? 1 +39965 C CA B SER X 243 0.3056 0.8345 0.7830 0.0111 0.0210 0.0499 254 SER d CA ? ? 1 +39966 C C A SER X 243 0.3060 0.8393 0.7900 0.0099 0.0291 0.0508 254 SER d C ? ? 1 +39967 C C B SER X 243 0.3019 0.8355 0.7864 0.0098 0.0290 0.0509 254 SER d C ? ? 1 +39968 O O A SER X 243 0.2936 0.8352 0.7907 0.0074 0.0304 0.0514 254 SER d O ? ? 1 +39969 O O B SER X 243 0.2894 0.8312 0.7869 0.0073 0.0300 0.0515 254 SER d O ? ? 1 +39970 C CB A SER X 243 0.3197 0.8410 0.7868 0.0118 0.0211 0.0524 254 SER d CB ? ? 1 +39971 C CB B SER X 243 0.3158 0.8373 0.7833 0.0118 0.0208 0.0524 254 SER d CB ? ? 1 +39972 O OG A SER X 243 0.3227 0.8406 0.7843 0.0132 0.0134 0.0514 254 SER d OG ? ? 1 +39973 O OG B SER X 243 0.3164 0.8361 0.7809 0.0126 0.0128 0.0515 254 SER d OG ? ? 1 +39974 N N A GLN X 244 0.3168 0.8449 0.7921 0.0117 0.0345 0.0507 255 GLN d N ? ? 1 +39975 N N B GLN X 244 0.3127 0.8411 0.7886 0.0115 0.0344 0.0508 255 GLN d N ? ? 1 +39976 C CA A GLN X 244 0.3158 0.8479 0.7967 0.0108 0.0426 0.0514 255 GLN d CA ? ? 1 +39977 C CA B GLN X 244 0.3119 0.8444 0.7935 0.0106 0.0425 0.0515 255 GLN d CA ? ? 1 +39978 C C A GLN X 244 0.3067 0.8462 0.7973 0.0111 0.0432 0.0491 255 GLN d C ? ? 1 +39979 C C B GLN X 244 0.3024 0.8427 0.7942 0.0108 0.0428 0.0491 255 GLN d C ? ? 1 +39980 O O A GLN X 244 0.3017 0.8480 0.8019 0.0099 0.0484 0.0493 255 GLN d O ? ? 1 +39981 O O B GLN X 244 0.2964 0.8443 0.7992 0.0093 0.0473 0.0494 255 GLN d O ? ? 1 +39982 C CB A GLN X 244 0.3324 0.8556 0.7995 0.0127 0.0488 0.0525 255 GLN d CB ? ? 1 +39983 C CB B GLN X 244 0.3286 0.8522 0.7963 0.0126 0.0485 0.0524 255 GLN d CB ? ? 1 +39984 C CG A GLN X 244 0.3417 0.8580 0.8005 0.0121 0.0505 0.0555 255 GLN d CG ? ? 1 +39985 C CG B GLN X 244 0.3389 0.8548 0.7970 0.0123 0.0498 0.0553 255 GLN d CG ? ? 1 +39986 C CD A GLN X 244 0.3593 0.8662 0.8039 0.0139 0.0571 0.0566 255 GLN d CD ? ? 1 +39987 C CD B GLN X 244 0.3556 0.8633 0.8013 0.0138 0.0572 0.0564 255 GLN d CD ? ? 1 +39988 O OE1 A GLN X 244 0.3720 0.8698 0.8023 0.0168 0.0550 0.0560 255 GLN d OE1 ? ? 1 +39989 O OE1 B GLN X 244 0.3674 0.8677 0.8008 0.0167 0.0567 0.0553 255 GLN d OE1 ? ? 1 +39990 N NE2 A GLN X 244 0.3614 0.8704 0.8097 0.0121 0.0653 0.0583 255 GLN d NE2 ? ? 1 +39991 N NE2 B GLN X 244 0.3585 0.8672 0.8069 0.0117 0.0644 0.0587 255 GLN d NE2 ? ? 1 +39992 N N A ILE X 245 0.3058 0.8435 0.7932 0.0127 0.0378 0.0466 256 ILE d N ? ? 1 +39993 N N B ILE X 245 0.3025 0.8405 0.7904 0.0126 0.0379 0.0467 256 ILE d N ? ? 1 +39994 C CA A ILE X 245 0.2983 0.8416 0.7934 0.0133 0.0377 0.0443 256 ILE d CA ? ? 1 +39995 C CA B ILE X 245 0.2947 0.8385 0.7906 0.0131 0.0377 0.0444 256 ILE d CA ? ? 1 +39996 C C A ILE X 245 0.2830 0.8352 0.7924 0.0109 0.0334 0.0439 256 ILE d C ? ? 1 +39997 C C B ILE X 245 0.2798 0.8323 0.7896 0.0109 0.0332 0.0439 256 ILE d C ? ? 1 +39998 O O A ILE X 245 0.2741 0.8341 0.7947 0.0101 0.0360 0.0435 256 ILE d O ? ? 1 +39999 O O B ILE X 245 0.2708 0.8310 0.7918 0.0101 0.0356 0.0434 256 ILE d O ? ? 1 +40000 C CB A ILE X 245 0.3061 0.8425 0.7908 0.0159 0.0342 0.0418 256 ILE d CB ? ? 1 +40001 C CB B ILE X 245 0.3024 0.8393 0.7878 0.0158 0.0344 0.0419 256 ILE d CB ? ? 1 +40002 C CG1 A ILE X 245 0.3209 0.8494 0.7927 0.0186 0.0397 0.0419 256 ILE d CG1 ? ? 1 +40003 C CG1 B ILE X 245 0.3169 0.8461 0.7898 0.0184 0.0402 0.0420 256 ILE d CG1 ? ? 1 +40004 C CG2 A ILE X 245 0.2976 0.8391 0.7905 0.0161 0.0318 0.0394 256 ILE d CG2 ? ? 1 +40005 C CG2 B ILE X 245 0.2937 0.8358 0.7874 0.0160 0.0320 0.0394 256 ILE d CG2 ? ? 1 +40006 C CD1 A ILE X 245 0.3199 0.8530 0.7974 0.0192 0.0473 0.0417 256 ILE d CD1 ? ? 1 +40007 C CD1 B ILE X 245 0.3158 0.8496 0.7943 0.0192 0.0476 0.0417 256 ILE d CD1 ? ? 1 +40008 N N A PHE X 246 0.2807 0.8317 0.7892 0.0100 0.0267 0.0438 257 PHE d N ? ? 1 +40009 N N B PHE X 246 0.2782 0.8293 0.7870 0.0100 0.0265 0.0438 257 PHE d N ? ? 1 +40010 C CA A PHE X 246 0.2675 0.8255 0.7874 0.0082 0.0217 0.0429 257 PHE d CA ? ? 1 +40011 C CA B PHE X 246 0.2654 0.8235 0.7855 0.0081 0.0215 0.0429 257 PHE d CA ? ? 1 +40012 C C A PHE X 246 0.2605 0.8229 0.7878 0.0056 0.0206 0.0450 257 PHE d C ? ? 1 +40013 C C B PHE X 246 0.2595 0.8217 0.7865 0.0056 0.0200 0.0449 257 PHE d C ? ? 1 +40014 O O A PHE X 246 0.2486 0.8181 0.7872 0.0038 0.0183 0.0446 257 PHE d O ? ? 1 +40015 O O B PHE X 246 0.2480 0.8168 0.7856 0.0039 0.0170 0.0445 257 PHE d O ? ? 1 +40016 C CB A PHE X 246 0.2694 0.8234 0.7839 0.0089 0.0149 0.0408 257 PHE d CB ? ? 1 +40017 C CB B PHE X 246 0.2671 0.8214 0.7820 0.0089 0.0148 0.0407 257 PHE d CB ? ? 1 +40018 C CG A PHE X 246 0.2573 0.8176 0.7823 0.0072 0.0101 0.0394 257 PHE d CG ? ? 1 +40019 C CG B PHE X 246 0.2547 0.8154 0.7803 0.0072 0.0101 0.0393 257 PHE d CG ? ? 1 +40020 C CD1 A PHE X 246 0.2499 0.8157 0.7836 0.0069 0.0119 0.0384 257 PHE d CD1 ? ? 1 +40021 C CD1 B PHE X 246 0.2469 0.8133 0.7816 0.0068 0.0120 0.0384 257 PHE d CD1 ? ? 1 +40022 C CD2 A PHE X 246 0.2538 0.8143 0.7796 0.0060 0.0038 0.0390 257 PHE d CD2 ? ? 1 +40023 C CD2 B PHE X 246 0.2513 0.8120 0.7774 0.0060 0.0037 0.0388 257 PHE d CD2 ? ? 1 +40024 C CE1 A PHE X 246 0.2399 0.8106 0.7823 0.0054 0.0077 0.0373 257 PHE d CE1 ? ? 1 +40025 C CE1 B PHE X 246 0.2367 0.8081 0.7801 0.0053 0.0078 0.0373 257 PHE d CE1 ? ? 1 +40026 C CE2 A PHE X 246 0.2435 0.8095 0.7786 0.0042 -0.0001 0.0377 257 PHE d CE2 ? ? 1 +40027 C CE2 B PHE X 246 0.2410 0.8071 0.7765 0.0042 -0.0001 0.0376 257 PHE d CE2 ? ? 1 +40028 C CZ A PHE X 246 0.2367 0.8074 0.7797 0.0039 0.0019 0.0370 257 PHE d CZ ? ? 1 +40029 C CZ B PHE X 246 0.2339 0.8050 0.7777 0.0038 0.0020 0.0369 257 PHE d CZ ? ? 1 +40030 N N . GLY X 247 0.2688 0.8263 0.7891 0.0056 0.0223 0.0471 258 GLY d N ? ? 1 +40031 C CA . GLY X 247 0.2664 0.8267 0.7922 0.0034 0.0217 0.0491 258 GLY d CA ? ? 1 +40032 C C . GLY X 247 0.2737 0.8292 0.7929 0.0039 0.0156 0.0494 258 GLY d C ? ? 1 +40033 O O . GLY X 247 0.2792 0.8313 0.7943 0.0036 0.0165 0.0516 258 GLY d O ? ? 1 +40034 N N A ILE X 248 0.2729 0.8282 0.7912 0.0047 0.0096 0.0472 259 ILE d N ? ? 1 +40035 N N B ILE X 248 0.2749 0.8301 0.7930 0.0047 0.0096 0.0472 259 ILE d N ? ? 1 +40036 C CA A ILE X 248 0.2778 0.8291 0.7900 0.0055 0.0033 0.0469 259 ILE d CA ? ? 1 +40037 C CA B ILE X 248 0.2814 0.8324 0.7931 0.0055 0.0034 0.0469 259 ILE d CA ? ? 1 +40038 C C A ILE X 248 0.2883 0.8328 0.7890 0.0079 0.0006 0.0448 259 ILE d C ? ? 1 +40039 C C B ILE X 248 0.2932 0.8372 0.7931 0.0080 0.0007 0.0449 259 ILE d C ? ? 1 +40040 O O A ILE X 248 0.2909 0.8347 0.7901 0.0087 0.0026 0.0433 259 ILE d O ? ? 1 +40041 O O B ILE X 248 0.2958 0.8392 0.7944 0.0088 0.0026 0.0433 259 ILE d O ? ? 1 +40042 C CB A ILE X 248 0.2657 0.8243 0.7892 0.0035 -0.0020 0.0460 259 ILE d CB ? ? 1 +40043 C CB B ILE X 248 0.2702 0.8281 0.7927 0.0037 -0.0022 0.0459 259 ILE d CB ? ? 1 +40044 C CG1 A ILE X 248 0.2595 0.8224 0.7892 0.0029 -0.0040 0.0433 259 ILE d CG1 ? ? 1 +40045 C CG1 B ILE X 248 0.2644 0.8266 0.7931 0.0031 -0.0040 0.0433 259 ILE d CG1 ? ? 1 +40046 C CG2 A ILE X 248 0.2571 0.8214 0.7906 0.0013 0.0006 0.0480 259 ILE d CG2 ? ? 1 +40047 C CG2 B ILE X 248 0.2615 0.8253 0.7941 0.0014 0.0001 0.0479 259 ILE d CG2 ? ? 1 +40048 C CD1 A ILE X 248 0.2609 0.8225 0.7882 0.0032 -0.0105 0.0412 259 ILE d CD1 ? ? 1 +40049 C CD1 B ILE X 248 0.2614 0.8254 0.7926 0.0025 -0.0109 0.0413 259 ILE d CD1 ? ? 1 +40050 N N A ALA X 249 0.2957 0.8349 0.7879 0.0093 -0.0042 0.0448 260 ALA d N ? ? 1 +40051 N N B ALA X 249 0.3015 0.8401 0.7929 0.0094 -0.0041 0.0448 260 ALA d N ? ? 1 +40052 C CA A ALA X 249 0.3067 0.8388 0.7870 0.0116 -0.0075 0.0428 260 ALA d CA ? ? 1 +40053 C CA B ALA X 249 0.3132 0.8448 0.7927 0.0118 -0.0074 0.0429 260 ALA d CA ? ? 1 +40054 C C A ALA X 249 0.3087 0.8397 0.7864 0.0123 -0.0152 0.0419 260 ALA d C ? ? 1 +40055 C C B ALA X 249 0.3167 0.8471 0.7934 0.0124 -0.0151 0.0420 260 ALA d C ? ? 1 +40056 O O A ALA X 249 0.3044 0.8381 0.7866 0.0115 -0.0169 0.0434 260 ALA d O ? ? 1 +40057 O O B ALA X 249 0.3142 0.8465 0.7943 0.0119 -0.0166 0.0436 260 ALA d O ? ? 1 +40058 C CB A ALA X 249 0.3210 0.8442 0.7875 0.0140 -0.0026 0.0442 260 ALA d CB ? ? 1 +40059 C CB B ALA X 249 0.3272 0.8499 0.7930 0.0141 -0.0025 0.0443 260 ALA d CB ? ? 1 +40060 N N A PHE X 250 0.3155 0.8427 0.7861 0.0137 -0.0199 0.0392 261 PHE d N ? ? 1 +40061 N N B PHE X 250 0.3237 0.8508 0.7941 0.0137 -0.0199 0.0392 261 PHE d N ? ? 1 +40062 C CA A PHE X 250 0.3200 0.8451 0.7859 0.0149 -0.0271 0.0381 261 PHE d CA ? ? 1 +40063 C CA B PHE X 250 0.3289 0.8539 0.7946 0.0149 -0.0271 0.0381 261 PHE d CA ? ? 1 +40064 C C A PHE X 250 0.3326 0.8491 0.7852 0.0177 -0.0259 0.0404 261 PHE d C ? ? 1 +40065 C C B PHE X 250 0.3422 0.8586 0.7947 0.0177 -0.0260 0.0404 261 PHE d C ? ? 1 +40066 O O A PHE X 250 0.3424 0.8521 0.7852 0.0192 -0.0209 0.0414 261 PHE d O ? ? 1 +40067 O O B PHE X 250 0.3518 0.8614 0.7943 0.0193 -0.0211 0.0414 261 PHE d O ? ? 1 +40068 C CB A PHE X 250 0.3251 0.8482 0.7868 0.0154 -0.0323 0.0343 261 PHE d CB ? ? 1 +40069 C CB B PHE X 250 0.3340 0.8570 0.7955 0.0155 -0.0323 0.0343 261 PHE d CB ? ? 1 +40070 C CG A PHE X 250 0.3131 0.8442 0.7875 0.0126 -0.0349 0.0319 261 PHE d CG ? ? 1 +40071 C CG B PHE X 250 0.3221 0.8531 0.7962 0.0126 -0.0350 0.0319 261 PHE d CG ? ? 1 +40072 C CD1 A PHE X 250 0.3050 0.8425 0.7885 0.0110 -0.0402 0.0311 261 PHE d CD1 ? ? 1 +40073 C CD1 B PHE X 250 0.3138 0.8514 0.7974 0.0110 -0.0402 0.0311 261 PHE d CD1 ? ? 1 +40074 C CD2 A PHE X 250 0.3115 0.8432 0.7882 0.0116 -0.0319 0.0305 261 PHE d CD2 ? ? 1 +40075 C CD2 B PHE X 250 0.3207 0.8521 0.7970 0.0117 -0.0323 0.0304 261 PHE d CD2 ? ? 1 +40076 C CE1 A PHE X 250 0.2947 0.8389 0.7892 0.0082 -0.0422 0.0289 261 PHE d CE1 ? ? 1 +40077 C CE1 B PHE X 250 0.3037 0.8480 0.7983 0.0082 -0.0422 0.0290 261 PHE d CE1 ? ? 1 +40078 C CE2 A PHE X 250 0.3014 0.8393 0.7888 0.0090 -0.0342 0.0284 261 PHE d CE2 ? ? 1 +40079 C CE2 B PHE X 250 0.3107 0.8484 0.7977 0.0091 -0.0346 0.0283 261 PHE d CE2 ? ? 1 +40080 C CZ A PHE X 250 0.2931 0.8372 0.7893 0.0072 -0.0392 0.0277 261 PHE d CZ ? ? 1 +40081 C CZ B PHE X 250 0.3024 0.8465 0.7984 0.0072 -0.0394 0.0276 261 PHE d CZ ? ? 1 +40082 N N A SER X 251 0.3332 0.8496 0.7852 0.0185 -0.0305 0.0411 262 SER d N ? ? 1 +40083 N N B SER X 251 0.3437 0.8604 0.7961 0.0185 -0.0303 0.0413 262 SER d N ? ? 1 +40084 C CA A SER X 251 0.3469 0.8542 0.7847 0.0217 -0.0311 0.0428 262 SER d CA ? ? 1 +40085 C CA B SER X 251 0.3584 0.8659 0.7965 0.0217 -0.0312 0.0429 262 SER d CA ? ? 1 +40086 C C A SER X 251 0.3534 0.8587 0.7856 0.0239 -0.0398 0.0404 262 SER d C ? ? 1 +40087 C C B SER X 251 0.3662 0.8721 0.7992 0.0239 -0.0400 0.0405 262 SER d C ? ? 1 +40088 O O A SER X 251 0.3677 0.8642 0.7856 0.0272 -0.0415 0.0409 262 SER d O ? ? 1 +40089 O O B SER X 251 0.3808 0.8783 0.8003 0.0271 -0.0418 0.0413 262 SER d O ? ? 1 +40090 C CB A SER X 251 0.3444 0.8518 0.7845 0.0214 -0.0279 0.0464 262 SER d CB ? ? 1 +40091 C CB B SER X 251 0.3555 0.8629 0.7957 0.0214 -0.0281 0.0465 262 SER d CB ? ? 1 +40092 O OG A SER X 251 0.3332 0.8476 0.7837 0.0203 -0.0329 0.0460 262 SER d OG ? ? 1 +40093 O OG B SER X 251 0.3429 0.8577 0.7940 0.0202 -0.0328 0.0461 262 SER d OG ? ? 1 +40094 N N A ASN X 252 0.3432 0.8570 0.7868 0.0221 -0.0453 0.0378 263 ASN d N ? ? 1 +40095 N N B ASN X 252 0.3586 0.8725 0.8023 0.0220 -0.0455 0.0376 263 ASN d N ? ? 1 +40096 C CA A ASN X 252 0.3473 0.8613 0.7884 0.0237 -0.0539 0.0351 263 ASN d CA ? ? 1 +40097 C CA B ASN X 252 0.3636 0.8778 0.8049 0.0236 -0.0540 0.0349 263 ASN d CA ? ? 1 +40098 C C A ASN X 252 0.3479 0.8633 0.7896 0.0226 -0.0573 0.0310 263 ASN d C ? ? 1 +40099 C C B ASN X 252 0.3656 0.8809 0.8070 0.0227 -0.0575 0.0309 263 ASN d C ? ? 1 +40100 O O A ASN X 252 0.3362 0.8589 0.7899 0.0194 -0.0569 0.0295 263 ASN d O ? ? 1 +40101 O O B ASN X 252 0.3539 0.8764 0.8071 0.0195 -0.0574 0.0292 263 ASN d O ? ? 1 +40102 C CB A ASN X 252 0.3358 0.8583 0.7892 0.0224 -0.0579 0.0351 263 ASN d CB ? ? 1 +40103 C CB B ASN X 252 0.3520 0.8748 0.8058 0.0223 -0.0579 0.0350 263 ASN d CB ? ? 1 +40104 C CG A ASN X 252 0.3400 0.8632 0.7911 0.0245 -0.0667 0.0324 263 ASN d CG ? ? 1 +40105 C CG B ASN X 252 0.3557 0.8794 0.8075 0.0243 -0.0667 0.0324 263 ASN d CG ? ? 1 +40106 O OD1 A ASN X 252 0.3409 0.8656 0.7921 0.0240 -0.0713 0.0288 263 ASN d OD1 ? ? 1 +40107 O OD1 B ASN X 252 0.3552 0.8814 0.8086 0.0237 -0.0716 0.0288 263 ASN d OD1 ? ? 1 +40108 N ND2 A ASN X 252 0.3428 0.8650 0.7917 0.0268 -0.0693 0.0341 263 ASN d ND2 ? ? 1 +40109 N ND2 B ASN X 252 0.3600 0.8817 0.8084 0.0269 -0.0691 0.0342 263 ASN d ND2 ? ? 1 +40110 N N A LYS X 253 0.3635 0.8712 0.7917 0.0255 -0.0607 0.0293 264 LYS d N ? ? 1 +40111 N N B LYS X 253 0.3834 0.8906 0.8109 0.0256 -0.0605 0.0293 264 LYS d N ? ? 1 +40112 C CA A LYS X 253 0.3686 0.8752 0.7941 0.0249 -0.0637 0.0254 264 LYS d CA ? ? 1 +40113 C CA B LYS X 253 0.3908 0.8970 0.8156 0.0251 -0.0641 0.0253 264 LYS d CA ? ? 1 +40114 C C A LYS X 253 0.3587 0.8737 0.7952 0.0227 -0.0709 0.0218 264 LYS d C ? ? 1 +40115 C C B LYS X 253 0.3794 0.8943 0.8156 0.0228 -0.0711 0.0217 264 LYS d C ? ? 1 +40116 O O A LYS X 253 0.3558 0.8729 0.7961 0.0205 -0.0720 0.0188 264 LYS d O ? ? 1 +40117 O O B LYS X 253 0.3766 0.8934 0.8163 0.0207 -0.0723 0.0187 264 LYS d O ? ? 1 +40118 C CB A LYS X 253 0.3901 0.8858 0.7972 0.0290 -0.0661 0.0247 264 LYS d CB ? ? 1 +40119 C CB B LYS X 253 0.4151 0.9107 0.8218 0.0292 -0.0670 0.0244 264 LYS d CB ? ? 1 +40120 C CG A LYS X 253 0.4020 0.8905 0.7991 0.0296 -0.0630 0.0233 264 LYS d CG ? ? 1 +40121 C CG B LYS X 253 0.4297 0.9180 0.8262 0.0298 -0.0640 0.0230 264 LYS d CG ? ? 1 +40122 C CD A LYS X 253 0.4232 0.9003 0.8011 0.0340 -0.0652 0.0232 264 LYS d CD ? ? 1 +40123 C CD B LYS X 253 0.4532 0.9300 0.8304 0.0342 -0.0663 0.0230 264 LYS d CD ? ? 1 +40124 C CE A LYS X 253 0.4362 0.9049 0.8023 0.0351 -0.0620 0.0219 264 LYS d CE ? ? 1 +40125 C CE B LYS X 253 0.4683 0.9373 0.8340 0.0353 -0.0644 0.0210 264 LYS d CE ? ? 1 +40126 N NZ A LYS X 253 0.4563 0.9132 0.8031 0.0395 -0.0621 0.0230 264 LYS d NZ ? ? 1 +40127 N NZ B LYS X 253 0.4902 0.9470 0.8363 0.0397 -0.0641 0.0222 264 LYS d NZ ? ? 1 +40128 N N A ARG X 254 0.3534 0.8728 0.7946 0.0234 -0.0757 0.0220 265 ARG d N ? ? 1 +40129 N N B ARG X 254 0.3720 0.8918 0.8137 0.0234 -0.0758 0.0220 265 ARG d N ? ? 1 +40130 C CA A ARG X 254 0.3435 0.8717 0.7960 0.0213 -0.0823 0.0187 265 ARG d CA ? ? 1 +40131 C CA B ARG X 254 0.3613 0.8900 0.8146 0.0212 -0.0822 0.0187 265 ARG d CA ? ? 1 +40132 C C A ARG X 254 0.3241 0.8614 0.7929 0.0170 -0.0788 0.0191 265 ARG d C ? ? 1 +40133 C C B ARG X 254 0.3386 0.8764 0.8082 0.0169 -0.0787 0.0192 265 ARG d C ? ? 1 +40134 O O A ARG X 254 0.3182 0.8603 0.7946 0.0141 -0.0807 0.0161 265 ARG d O ? ? 1 +40135 O O B ARG X 254 0.3318 0.8745 0.8092 0.0139 -0.0806 0.0162 265 ARG d O ? ? 1 +40136 C CB A ARG X 254 0.3466 0.8768 0.7990 0.0239 -0.0883 0.0188 265 ARG d CB ? ? 1 +40137 C CB B ARG X 254 0.3665 0.8974 0.8199 0.0237 -0.0883 0.0187 265 ARG d CB ? ? 1 +40138 C CG A ARG X 254 0.3643 0.8860 0.8008 0.0283 -0.0932 0.0177 265 ARG d CG ? ? 1 +40139 C CG B ARG X 254 0.3865 0.9084 0.8235 0.0282 -0.0929 0.0179 265 ARG d CG ? ? 1 +40140 C CD A ARG X 254 0.3678 0.8907 0.8032 0.0315 -0.0987 0.0183 265 ARG d CD ? ? 1 +40141 C CD B ARG X 254 0.3909 0.9152 0.8281 0.0311 -0.0996 0.0176 265 ARG d CD ? ? 1 +40142 N NE A ARG X 254 0.3849 0.9001 0.8054 0.0358 -0.1044 0.0166 265 ARG d NE ? ? 1 +40143 N NE B ARG X 254 0.4092 0.9260 0.8318 0.0352 -0.1054 0.0157 265 ARG d NE ? ? 1 +40144 C CZ A ARG X 254 0.3884 0.9070 0.8098 0.0378 -0.1130 0.0138 265 ARG d CZ ? ? 1 +40145 C CZ B ARG X 254 0.4144 0.9337 0.8366 0.0378 -0.1135 0.0136 265 ARG d CZ ? ? 1 +40146 N NH1 A ARG X 254 0.3776 0.9064 0.8128 0.0367 -0.1163 0.0130 265 ARG d NH1 ? ? 1 +40147 N NH1 B ARG X 254 0.4059 0.9341 0.8404 0.0373 -0.1162 0.0137 265 ARG d NH1 ? ? 1 +40148 N NH2 A ARG X 254 0.4036 0.9153 0.8116 0.0412 -0.1183 0.0115 265 ARG d NH2 ? ? 1 +40149 N NH2 B ARG X 254 0.4298 0.9425 0.8389 0.0412 -0.1190 0.0113 265 ARG d NH2 ? ? 1 +40150 N N A TRP X 255 0.3146 0.8538 0.7882 0.0167 -0.0737 0.0228 266 TRP d N ? ? 1 +40151 N N B TRP X 255 0.3267 0.8663 0.8010 0.0166 -0.0736 0.0229 266 TRP d N ? ? 1 +40152 C CA A TRP X 255 0.2981 0.8449 0.7857 0.0129 -0.0697 0.0235 266 TRP d CA ? ? 1 +40153 C CA B TRP X 255 0.3088 0.8559 0.7969 0.0128 -0.0696 0.0236 266 TRP d CA ? ? 1 +40154 C C A TRP X 255 0.2961 0.8415 0.7839 0.0109 -0.0661 0.0221 266 TRP d C ? ? 1 +40155 C C B TRP X 255 0.3047 0.8503 0.7930 0.0108 -0.0657 0.0224 266 TRP d C ? ? 1 +40156 O O A TRP X 255 0.2875 0.8389 0.7856 0.0077 -0.0667 0.0203 266 TRP d O ? ? 1 +40157 O O B TRP X 255 0.2958 0.8476 0.7947 0.0076 -0.0658 0.0208 266 TRP d O ? ? 1 +40158 C CB A TRP X 255 0.2925 0.8397 0.7827 0.0132 -0.0640 0.0278 266 TRP d CB ? ? 1 +40159 C CB B TRP X 255 0.3032 0.8508 0.7941 0.0131 -0.0640 0.0278 266 TRP d CB ? ? 1 +40160 C CG A TRP X 255 0.2779 0.8316 0.7805 0.0097 -0.0593 0.0287 266 TRP d CG ? ? 1 +40161 C CG B TRP X 255 0.2885 0.8425 0.7917 0.0096 -0.0593 0.0287 266 TRP d CG ? ? 1 +40162 C CD1 A TRP X 255 0.2752 0.8273 0.7780 0.0090 -0.0523 0.0309 266 TRP d CD1 ? ? 1 +40163 C CD1 B TRP X 255 0.2860 0.8383 0.7891 0.0089 -0.0524 0.0308 266 TRP d CD1 ? ? 1 +40164 C CD2 A TRP X 255 0.2647 0.8274 0.7812 0.0066 -0.0615 0.0272 266 TRP d CD2 ? ? 1 +40165 C CD2 B TRP X 255 0.2751 0.8382 0.7922 0.0065 -0.0614 0.0272 266 TRP d CD2 ? ? 1 +40166 N NE1 A TRP X 255 0.2618 0.8213 0.7775 0.0059 -0.0503 0.0309 266 TRP d NE1 ? ? 1 +40167 N NE1 B TRP X 255 0.2725 0.8322 0.7885 0.0058 -0.0503 0.0308 266 TRP d NE1 ? ? 1 +40168 C CE2 A TRP X 255 0.2553 0.8210 0.7792 0.0043 -0.0557 0.0287 266 TRP d CE2 ? ? 1 +40169 C CE2 B TRP X 255 0.2659 0.8319 0.7902 0.0042 -0.0556 0.0287 266 TRP d CE2 ? ? 1 +40170 C CE3 A TRP X 255 0.2600 0.8286 0.7835 0.0056 -0.0676 0.0246 266 TRP d CE3 ? ? 1 +40171 C CE3 B TRP X 255 0.2701 0.8392 0.7944 0.0055 -0.0675 0.0247 266 TRP d CE3 ? ? 1 +40172 C CZ2 A TRP X 255 0.2428 0.8165 0.7799 0.0012 -0.0559 0.0279 266 TRP d CZ2 ? ? 1 +40173 C CZ2 B TRP X 255 0.2537 0.8276 0.7911 0.0011 -0.0558 0.0279 266 TRP d CZ2 ? ? 1 +40174 C CZ3 A TRP X 255 0.2473 0.8240 0.7842 0.0022 -0.0674 0.0238 266 TRP d CZ3 ? ? 1 +40175 C CZ3 B TRP X 255 0.2577 0.8349 0.7953 0.0022 -0.0673 0.0239 266 TRP d CZ3 ? ? 1 +40176 C CH2 A TRP X 255 0.2394 0.8182 0.7825 0.0001 -0.0616 0.0255 266 TRP d CH2 ? ? 1 +40177 C CH2 B TRP X 255 0.2504 0.8296 0.7941 0.0000 -0.0615 0.0256 266 TRP d CH2 ? ? 1 +40178 N N A LEU X 256 0.3046 0.8416 0.7805 0.0129 -0.0623 0.0231 267 LEU d N ? ? 1 +40179 N N B LEU X 256 0.3113 0.8485 0.7875 0.0129 -0.0623 0.0231 267 LEU d N ? ? 1 +40180 C CA A LEU X 256 0.3037 0.8386 0.7785 0.0117 -0.0585 0.0219 267 LEU d CA ? ? 1 +40181 C CA B LEU X 256 0.3091 0.8440 0.7840 0.0117 -0.0586 0.0220 267 LEU d CA ? ? 1 +40182 C C A LEU X 256 0.3021 0.8386 0.7793 0.0098 -0.0637 0.0176 267 LEU d C ? ? 1 +40183 C C B LEU X 256 0.3060 0.8425 0.7831 0.0099 -0.0638 0.0176 267 LEU d C ? ? 1 +40184 O O A LEU X 256 0.2932 0.8338 0.7790 0.0069 -0.0623 0.0165 267 LEU d O ? ? 1 +40185 O O B LEU X 256 0.2963 0.8371 0.7822 0.0070 -0.0625 0.0164 267 LEU d O ? ? 1 +40186 C CB A LEU X 256 0.3179 0.8427 0.7776 0.0148 -0.0547 0.0231 267 LEU d CB ? ? 1 +40187 C CB B LEU X 256 0.3233 0.8482 0.7830 0.0149 -0.0547 0.0232 267 LEU d CB ? ? 1 +40188 C CG A LEU X 256 0.3195 0.8414 0.7771 0.0143 -0.0492 0.0228 267 LEU d CG ? ? 1 +40189 C CG B LEU X 256 0.3252 0.8469 0.7825 0.0144 -0.0492 0.0229 267 LEU d CG ? ? 1 +40190 C CD1 A LEU X 256 0.3330 0.8456 0.7764 0.0175 -0.0446 0.0246 267 LEU d CD1 ? ? 1 +40191 C CD1 B LEU X 256 0.3382 0.8511 0.7820 0.0175 -0.0442 0.0250 267 LEU d CD1 ? ? 1 +40192 C CD2 A LEU X 256 0.3217 0.8427 0.7787 0.0131 -0.0530 0.0187 267 LEU d CD2 ? ? 1 +40193 C CD2 B LEU X 256 0.3290 0.8489 0.7841 0.0136 -0.0529 0.0189 267 LEU d CD2 ? ? 1 +40194 N N A HIS X 257 0.3114 0.8443 0.7806 0.0115 -0.0698 0.0151 268 HIS d N ? ? 1 +40195 N N B HIS X 257 0.3147 0.8475 0.7836 0.0116 -0.0698 0.0152 268 HIS d N ? ? 1 +40196 C CA A HIS X 257 0.3126 0.8463 0.7829 0.0096 -0.0747 0.0107 268 HIS d CA ? ? 1 +40197 C CA B HIS X 257 0.3150 0.8488 0.7853 0.0097 -0.0750 0.0107 268 HIS d CA ? ? 1 +40198 C C A HIS X 257 0.2989 0.8426 0.7840 0.0062 -0.0787 0.0089 268 HIS d C ? ? 1 +40199 C C B HIS X 257 0.3003 0.8440 0.7852 0.0064 -0.0791 0.0089 268 HIS d C ? ? 1 +40200 O O A HIS X 257 0.2957 0.8415 0.7857 0.0032 -0.0804 0.0059 268 HIS d O ? ? 1 +40201 O O B HIS X 257 0.2977 0.8435 0.7872 0.0035 -0.0813 0.0057 268 HIS d O ? ? 1 +40202 C CB A HIS X 257 0.3286 0.8552 0.7854 0.0125 -0.0801 0.0083 268 HIS d CB ? ? 1 +40203 C CB B HIS X 257 0.3310 0.8578 0.7878 0.0127 -0.0803 0.0085 268 HIS d CB ? ? 1 +40204 C CG A HIS X 257 0.3420 0.8581 0.7840 0.0152 -0.0761 0.0090 268 HIS d CG ? ? 1 +40205 C CG B HIS X 257 0.3449 0.8612 0.7869 0.0153 -0.0763 0.0092 268 HIS d CG ? ? 1 +40206 N ND1 A HIS X 257 0.3494 0.8597 0.7819 0.0185 -0.0724 0.0125 268 HIS d ND1 ? ? 1 +40207 N ND1 B HIS X 257 0.3545 0.8644 0.7855 0.0190 -0.0739 0.0121 268 HIS d ND1 ? ? 1 +40208 C CD2 A HIS X 257 0.3499 0.8603 0.7852 0.0149 -0.0754 0.0065 268 HIS d CD2 ? ? 1 +40209 C CD2 B HIS X 257 0.3509 0.8622 0.7878 0.0147 -0.0742 0.0073 268 HIS d CD2 ? ? 1 +40210 C CE1 A HIS X 257 0.3611 0.8629 0.7817 0.0202 -0.0693 0.0120 268 HIS d CE1 ? ? 1 +40211 C CE1 B HIS X 257 0.3658 0.8673 0.7854 0.0206 -0.0704 0.0119 268 HIS d CE1 ? ? 1 +40212 N NE2 A HIS X 257 0.3623 0.8637 0.7840 0.0183 -0.0711 0.0085 268 HIS d NE2 ? ? 1 +40213 N NE2 B HIS X 257 0.3647 0.8667 0.7873 0.0182 -0.0705 0.0089 268 HIS d NE2 ? ? 1 +40214 N N A PHE X 258 0.2905 0.8400 0.7828 0.0064 -0.0795 0.0109 269 PHE d N ? ? 1 +40215 N N B PHE X 258 0.2905 0.8402 0.7830 0.0065 -0.0796 0.0111 269 PHE d N ? ? 1 +40216 C CA A PHE X 258 0.2777 0.8370 0.7848 0.0031 -0.0820 0.0097 269 PHE d CA ? ? 1 +40217 C CA B PHE X 258 0.2771 0.8366 0.7843 0.0032 -0.0821 0.0097 269 PHE d CA ? ? 1 +40218 C C A PHE X 258 0.2660 0.8287 0.7823 -0.0001 -0.0764 0.0108 269 PHE d C ? ? 1 +40219 C C B PHE X 258 0.2651 0.8279 0.7814 0.0000 -0.0765 0.0109 269 PHE d C ? ? 1 +40220 O O A PHE X 258 0.2591 0.8269 0.7846 -0.0035 -0.0777 0.0086 269 PHE d O ? ? 1 +40221 O O B PHE X 258 0.2589 0.8261 0.7835 -0.0034 -0.0778 0.0085 269 PHE d O ? ? 1 +40222 C CB A PHE X 258 0.2727 0.8374 0.7854 0.0043 -0.0840 0.0115 269 PHE d CB ? ? 1 +40223 C CB B PHE X 258 0.2717 0.8368 0.7848 0.0043 -0.0841 0.0116 269 PHE d CB ? ? 1 +40224 C CG A PHE X 258 0.2596 0.8344 0.7878 0.0007 -0.0855 0.0104 269 PHE d CG ? ? 1 +40225 C CG B PHE X 258 0.2587 0.8337 0.7871 0.0007 -0.0856 0.0103 269 PHE d CG ? ? 1 +40226 C CD1 A PHE X 258 0.2598 0.8395 0.7933 -0.0010 -0.0916 0.0064 269 PHE d CD1 ? ? 1 +40227 C CD1 B PHE X 258 0.2592 0.8392 0.7928 -0.0009 -0.0919 0.0064 269 PHE d CD1 ? ? 1 +40228 C CD2 A PHE X 258 0.2482 0.8275 0.7855 -0.0010 -0.0806 0.0131 269 PHE d CD2 ? ? 1 +40229 C CD2 B PHE X 258 0.2469 0.8263 0.7847 -0.0013 -0.0806 0.0128 269 PHE d CD2 ? ? 1 +40230 C CE1 A PHE X 258 0.2483 0.8371 0.7958 -0.0044 -0.0924 0.0054 269 PHE d CE1 ? ? 1 +40231 C CE1 B PHE X 258 0.2476 0.8366 0.7953 -0.0044 -0.0927 0.0052 269 PHE d CE1 ? ? 1 +40232 C CE2 A PHE X 258 0.2370 0.8249 0.7877 -0.0042 -0.0816 0.0120 269 PHE d CE2 ? ? 1 +40233 C CE2 B PHE X 258 0.2360 0.8239 0.7870 -0.0046 -0.0817 0.0117 269 PHE d CE2 ? ? 1 +40234 C CZ A PHE X 258 0.2373 0.8299 0.7930 -0.0059 -0.0874 0.0083 269 PHE d CZ ? ? 1 +40235 C CZ B PHE X 258 0.2365 0.8291 0.7924 -0.0062 -0.0875 0.0080 269 PHE d CZ ? ? 1 +40236 N N A PHE X 259 0.2638 0.8238 0.7778 0.0011 -0.0701 0.0144 270 PHE d N ? ? 1 +40237 N N B PHE X 259 0.2614 0.8223 0.7764 0.0011 -0.0702 0.0146 270 PHE d N ? ? 1 +40238 C CA A PHE X 259 0.2532 0.8163 0.7753 -0.0012 -0.0647 0.0157 270 PHE d CA ? ? 1 +40239 C CA B PHE X 259 0.2511 0.8145 0.7735 -0.0012 -0.0648 0.0158 270 PHE d CA ? ? 1 +40240 C C A PHE X 259 0.2549 0.8150 0.7753 -0.0029 -0.0640 0.0131 270 PHE d C ? ? 1 +40241 C C B PHE X 259 0.2528 0.8130 0.7732 -0.0028 -0.0641 0.0132 270 PHE d C ? ? 1 +40242 O O A PHE X 259 0.2462 0.8102 0.7753 -0.0057 -0.0625 0.0126 270 PHE d O ? ? 1 +40243 O O B PHE X 259 0.2440 0.8081 0.7731 -0.0056 -0.0625 0.0127 270 PHE d O ? ? 1 +40244 C CB A PHE X 259 0.2537 0.8139 0.7722 0.0008 -0.0583 0.0197 270 PHE d CB ? ? 1 +40245 C CB B PHE X 259 0.2518 0.8122 0.7705 0.0008 -0.0583 0.0197 270 PHE d CB ? ? 1 +40246 C CG A PHE X 259 0.2424 0.8071 0.7704 -0.0012 -0.0531 0.0214 270 PHE d CG ? ? 1 +40247 C CG B PHE X 259 0.2405 0.8053 0.7686 -0.0012 -0.0531 0.0215 270 PHE d CG ? ? 1 +40248 C CD1 A PHE X 259 0.2309 0.8033 0.7708 -0.0034 -0.0536 0.0223 270 PHE d CD1 ? ? 1 +40249 C CD1 B PHE X 259 0.2289 0.8015 0.7690 -0.0034 -0.0536 0.0223 270 PHE d CD1 ? ? 1 +40250 C CD2 A PHE X 259 0.2441 0.8054 0.7692 -0.0008 -0.0478 0.0222 270 PHE d CD2 ? ? 1 +40251 C CD2 B PHE X 259 0.2424 0.8037 0.7674 -0.0008 -0.0479 0.0222 270 PHE d CD2 ? ? 1 +40252 C CE1 A PHE X 259 0.2215 0.7978 0.7697 -0.0050 -0.0492 0.0238 270 PHE d CE1 ? ? 1 +40253 C CE1 B PHE X 259 0.2197 0.7961 0.7681 -0.0051 -0.0491 0.0238 270 PHE d CE1 ? ? 1 +40254 C CE2 A PHE X 259 0.2342 0.8000 0.7682 -0.0024 -0.0434 0.0237 270 PHE d CE2 ? ? 1 +40255 C CE2 B PHE X 259 0.2328 0.7984 0.7666 -0.0023 -0.0435 0.0237 270 PHE d CE2 ? ? 1 +40256 C CZ A PHE X 259 0.2231 0.7961 0.7684 -0.0045 -0.0443 0.0245 270 PHE d CZ ? ? 1 +40257 C CZ B PHE X 259 0.2214 0.7944 0.7666 -0.0045 -0.0443 0.0244 270 PHE d CZ ? ? 1 +40258 N N A MET X 260 0.2669 0.8192 0.7751 -0.0009 -0.0650 0.0115 271 MET d N ? ? 1 +40259 N N B MET X 260 0.2645 0.8170 0.7729 -0.0008 -0.0652 0.0116 271 MET d N ? ? 1 +40260 C CA A MET X 260 0.2714 0.8194 0.7761 -0.0021 -0.0648 0.0088 271 MET d CA ? ? 1 +40261 C CA B MET X 260 0.2691 0.8173 0.7738 -0.0020 -0.0651 0.0088 271 MET d CA ? ? 1 +40262 C C A MET X 260 0.2682 0.8203 0.7799 -0.0056 -0.0699 0.0051 271 MET d C ? ? 1 +40263 C C B MET X 260 0.2661 0.8184 0.7778 -0.0055 -0.0703 0.0051 271 MET d C ? ? 1 +40264 O O A MET X 260 0.2668 0.8180 0.7812 -0.0080 -0.0688 0.0034 271 MET d O ? ? 1 +40265 O O B MET X 260 0.2649 0.8162 0.7791 -0.0078 -0.0691 0.0033 271 MET d O ? ? 1 +40266 C CB A MET X 260 0.2865 0.8251 0.7760 0.0011 -0.0653 0.0078 271 MET d CB ? ? 1 +40267 C CB B MET X 260 0.2842 0.8229 0.7736 0.0012 -0.0656 0.0079 271 MET d CB ? ? 1 +40268 C CG A MET X 260 0.2901 0.8238 0.7727 0.0039 -0.0586 0.0110 271 MET d CG ? ? 1 +40269 C CG B MET X 260 0.2878 0.8214 0.7703 0.0038 -0.0587 0.0110 271 MET d CG ? ? 1 +40270 S SD A MET X 260 0.3088 0.8307 0.7726 0.0076 -0.0586 0.0099 271 MET d SD ? ? 1 +40271 S SD B MET X 260 0.3060 0.8278 0.7700 0.0075 -0.0583 0.0098 271 MET d SD ? ? 1 +40272 C CE A MET X 260 0.3110 0.8294 0.7739 0.0058 -0.0578 0.0066 271 MET d CE ? ? 1 +40273 C CE B MET X 260 0.3074 0.8262 0.7713 0.0055 -0.0579 0.0064 271 MET d CE ? ? 1 +40274 N N A LEU X 261 0.2676 0.8239 0.7821 -0.0058 -0.0756 0.0038 272 LEU d N ? ? 1 +40275 N N B LEU X 261 0.2653 0.8220 0.7802 -0.0058 -0.0759 0.0038 272 LEU d N ? ? 1 +40276 C CA A LEU X 261 0.2629 0.8249 0.7862 -0.0094 -0.0803 0.0004 272 LEU d CA ? ? 1 +40277 C CA B LEU X 261 0.2608 0.8231 0.7845 -0.0094 -0.0805 0.0004 272 LEU d CA ? ? 1 +40278 C C A LEU X 261 0.2489 0.8183 0.7857 -0.0124 -0.0774 0.0019 272 LEU d C ? ? 1 +40279 C C B LEU X 261 0.2469 0.8166 0.7841 -0.0125 -0.0776 0.0018 272 LEU d C ? ? 1 +40280 O O A LEU X 261 0.2453 0.8159 0.7875 -0.0158 -0.0769 0.0000 272 LEU d O ? ? 1 +40281 O O B LEU X 261 0.2432 0.8140 0.7856 -0.0158 -0.0770 0.0000 272 LEU d O ? ? 1 +40282 C CB A LEU X 261 0.2661 0.8315 0.7894 -0.0083 -0.0869 -0.0011 272 LEU d CB ? ? 1 +40283 C CB B LEU X 261 0.2641 0.8299 0.7878 -0.0083 -0.0872 -0.0012 272 LEU d CB ? ? 1 +40284 C CG A LEU X 261 0.2626 0.8348 0.7953 -0.0118 -0.0923 -0.0050 272 LEU d CG ? ? 1 +40285 C CG B LEU X 261 0.2605 0.8330 0.7935 -0.0119 -0.0925 -0.0050 272 LEU d CG ? ? 1 +40286 C CD1 A LEU X 261 0.2690 0.8431 0.7990 -0.0097 -0.0991 -0.0069 272 LEU d CD1 ? ? 1 +40287 C CD1 B LEU X 261 0.2667 0.8415 0.7975 -0.0097 -0.0993 -0.0068 272 LEU d CD1 ? ? 1 +40288 C CD2 A LEU X 261 0.2484 0.8293 0.7954 -0.0148 -0.0904 -0.0038 272 LEU d CD2 ? ? 1 +40289 C CD2 B LEU X 261 0.2463 0.8275 0.7937 -0.0149 -0.0906 -0.0039 272 LEU d CD2 ? ? 1 +40290 N N A PHE X 262 0.2417 0.8153 0.7831 -0.0112 -0.0753 0.0053 273 PHE d N ? ? 1 +40291 N N B PHE X 262 0.2399 0.8141 0.7819 -0.0113 -0.0758 0.0051 273 PHE d N ? ? 1 +40292 C CA A PHE X 262 0.2290 0.8100 0.7829 -0.0137 -0.0732 0.0067 273 PHE d CA ? ? 1 +40293 C CA B PHE X 262 0.2275 0.8089 0.7819 -0.0138 -0.0735 0.0066 273 PHE d CA ? ? 1 +40294 C C A PHE X 262 0.2232 0.8032 0.7806 -0.0156 -0.0681 0.0075 273 PHE d C ? ? 1 +40295 C C B PHE X 262 0.2216 0.8019 0.7794 -0.0158 -0.0684 0.0073 273 PHE d C ? ? 1 +40296 O O A PHE X 262 0.2157 0.8003 0.7822 -0.0189 -0.0681 0.0065 273 PHE d O ? ? 1 +40297 O O B PHE X 262 0.2143 0.7990 0.7810 -0.0191 -0.0686 0.0062 273 PHE d O ? ? 1 +40298 C CB A PHE X 262 0.2248 0.8086 0.7806 -0.0113 -0.0712 0.0105 273 PHE d CB ? ? 1 +40299 C CB B PHE X 262 0.2239 0.8079 0.7801 -0.0114 -0.0713 0.0104 273 PHE d CB ? ? 1 +40300 C CG A PHE X 262 0.2128 0.8039 0.7809 -0.0136 -0.0691 0.0120 273 PHE d CG ? ? 1 +40301 C CG B PHE X 262 0.2127 0.8042 0.7812 -0.0137 -0.0693 0.0120 273 PHE d CG ? ? 1 +40302 C CD1 A PHE X 262 0.2078 0.8061 0.7851 -0.0156 -0.0728 0.0104 273 PHE d CD1 ? ? 1 +40303 C CD1 B PHE X 262 0.2084 0.8070 0.7858 -0.0155 -0.0732 0.0105 273 PHE d CD1 ? ? 1 +40304 C CD2 A PHE X 262 0.2073 0.7984 0.7779 -0.0137 -0.0634 0.0149 273 PHE d CD2 ? ? 1 +40305 C CD2 B PHE X 262 0.2074 0.7988 0.7788 -0.0140 -0.0636 0.0146 273 PHE d CD2 ? ? 1 +40306 C CE1 A PHE X 262 0.1967 0.8013 0.7847 -0.0176 -0.0707 0.0118 273 PHE d CE1 ? ? 1 +40307 C CE1 B PHE X 262 0.1977 0.8026 0.7859 -0.0175 -0.0711 0.0118 273 PHE d CE1 ? ? 1 +40308 C CE2 A PHE X 262 0.1966 0.7941 0.7780 -0.0156 -0.0617 0.0162 273 PHE d CE2 ? ? 1 +40309 C CE2 B PHE X 262 0.1972 0.7951 0.7794 -0.0160 -0.0620 0.0159 273 PHE d CE2 ? ? 1 +40310 C CZ A PHE X 262 0.1915 0.7953 0.7811 -0.0176 -0.0653 0.0147 273 PHE d CZ ? ? 1 +40311 C CZ B PHE X 262 0.1924 0.7967 0.7826 -0.0178 -0.0657 0.0145 273 PHE d CZ ? ? 1 +40312 N N A VAL X 263 0.2263 0.8005 0.7765 -0.0135 -0.0636 0.0092 274 VAL d N ? ? 1 +40313 N N B VAL X 263 0.2242 0.7988 0.7749 -0.0136 -0.0638 0.0092 274 VAL d N ? ? 1 +40314 C CA A VAL X 263 0.2201 0.7941 0.7742 -0.0145 -0.0585 0.0106 274 VAL d CA ? ? 1 +40315 C CA B VAL X 263 0.2178 0.7921 0.7722 -0.0146 -0.0587 0.0105 274 VAL d CA ? ? 1 +40316 C C A VAL X 263 0.2202 0.7926 0.7761 -0.0176 -0.0594 0.0076 274 VAL d C ? ? 1 +40317 C C B VAL X 263 0.2180 0.7907 0.7742 -0.0176 -0.0596 0.0076 274 VAL d C ? ? 1 +40318 O O A VAL X 263 0.2118 0.7884 0.7766 -0.0202 -0.0583 0.0077 274 VAL d O ? ? 1 +40319 O O B VAL X 263 0.2097 0.7865 0.7746 -0.0204 -0.0586 0.0076 274 VAL d O ? ? 1 +40320 C CB A VAL X 263 0.2251 0.7935 0.7711 -0.0114 -0.0535 0.0128 274 VAL d CB ? ? 1 +40321 C CB B VAL X 263 0.2224 0.7914 0.7691 -0.0114 -0.0536 0.0129 274 VAL d CB ? ? 1 +40322 C CG1 A VAL X 263 0.2215 0.7888 0.7701 -0.0121 -0.0491 0.0132 274 VAL d CG1 ? ? 1 +40323 C CG1 B VAL X 263 0.2184 0.7865 0.7679 -0.0121 -0.0490 0.0136 274 VAL d CG1 ? ? 1 +40324 C CG2 A VAL X 263 0.2217 0.7926 0.7686 -0.0093 -0.0513 0.0163 274 VAL d CG2 ? ? 1 +40325 C CG2 B VAL X 263 0.2192 0.7908 0.7668 -0.0094 -0.0517 0.0163 274 VAL d CG2 ? ? 1 +40326 N N A PRO X 264 0.2303 0.7960 0.7777 -0.0174 -0.0611 0.0049 275 PRO d N ? ? 1 +40327 N N B PRO X 264 0.2281 0.7940 0.7756 -0.0174 -0.0613 0.0049 275 PRO d N ? ? 1 +40328 C CA A PRO X 264 0.2322 0.7954 0.7807 -0.0204 -0.0615 0.0021 275 PRO d CA ? ? 1 +40329 C CA B PRO X 264 0.2302 0.7935 0.7787 -0.0203 -0.0617 0.0021 275 PRO d CA ? ? 1 +40330 C C A PRO X 264 0.2281 0.7967 0.7848 -0.0244 -0.0658 -0.0005 275 PRO d C ? ? 1 +40331 C C B PRO X 264 0.2265 0.7950 0.7831 -0.0244 -0.0660 -0.0006 275 PRO d C ? ? 1 +40332 O O A PRO X 264 0.2246 0.7939 0.7868 -0.0276 -0.0649 -0.0016 275 PRO d O ? ? 1 +40333 O O B PRO X 264 0.2234 0.7922 0.7849 -0.0276 -0.0652 -0.0018 275 PRO d O ? ? 1 +40334 C CB A PRO X 264 0.2455 0.7999 0.7816 -0.0186 -0.0626 -0.0001 275 PRO d CB ? ? 1 +40335 C CB B PRO X 264 0.2434 0.7979 0.7795 -0.0185 -0.0626 0.0000 275 PRO d CB ? ? 1 +40336 C CG A PRO X 264 0.2505 0.8045 0.7804 -0.0156 -0.0650 0.0005 275 PRO d CG ? ? 1 +40337 C CG B PRO X 264 0.2485 0.8028 0.7786 -0.0157 -0.0653 0.0005 275 PRO d CG ? ? 1 +40338 C CD A PRO X 264 0.2414 0.8011 0.7770 -0.0142 -0.0624 0.0044 275 PRO d CD ? ? 1 +40339 C CD B PRO X 264 0.2393 0.7994 0.7752 -0.0143 -0.0628 0.0043 275 PRO d CD ? ? 1 +40340 N N A VAL X 265 0.2287 0.8013 0.7866 -0.0242 -0.0704 -0.0015 276 VAL d N ? ? 1 +40341 N N B VAL X 265 0.2269 0.7996 0.7848 -0.0242 -0.0706 -0.0016 276 VAL d N ? ? 1 +40342 C CA A VAL X 265 0.2249 0.8038 0.7915 -0.0278 -0.0746 -0.0041 276 VAL d CA ? ? 1 +40343 C CA B VAL X 265 0.2228 0.8020 0.7896 -0.0278 -0.0747 -0.0041 276 VAL d CA ? ? 1 +40344 C C A VAL X 265 0.2125 0.7983 0.7907 -0.0299 -0.0720 -0.0021 276 VAL d C ? ? 1 +40345 C C B VAL X 265 0.2107 0.7966 0.7888 -0.0297 -0.0719 -0.0019 276 VAL d C ? ? 1 +40346 O O A VAL X 265 0.2096 0.7978 0.7945 -0.0338 -0.0723 -0.0039 276 VAL d O ? ? 1 +40347 O O B VAL X 265 0.2075 0.7956 0.7923 -0.0336 -0.0718 -0.0035 276 VAL d O ? ? 1 +40348 C CB A VAL X 265 0.2283 0.8106 0.7940 -0.0264 -0.0801 -0.0054 276 VAL d CB ? ? 1 +40349 C CB B VAL X 265 0.2264 0.8089 0.7921 -0.0263 -0.0803 -0.0054 276 VAL d CB ? ? 1 +40350 C CG1 A VAL X 265 0.2223 0.8133 0.7993 -0.0298 -0.0838 -0.0076 276 VAL d CG1 ? ? 1 +40351 C CG1 B VAL X 265 0.2204 0.8116 0.7974 -0.0297 -0.0840 -0.0076 276 VAL d CG1 ? ? 1 +40352 C CG2 A VAL X 265 0.2413 0.8166 0.7956 -0.0250 -0.0835 -0.0082 276 VAL d CG2 ? ? 1 +40353 C CG2 B VAL X 265 0.2394 0.8149 0.7940 -0.0251 -0.0836 -0.0083 276 VAL d CG2 ? ? 1 +40354 N N A THR X 266 0.2061 0.7948 0.7863 -0.0274 -0.0693 0.0016 277 THR d N ? ? 1 +40355 N N B THR X 266 0.2046 0.7935 0.7847 -0.0272 -0.0694 0.0017 277 THR d N ? ? 1 +40356 C CA A THR X 266 0.1949 0.7899 0.7854 -0.0290 -0.0669 0.0036 277 THR d CA ? ? 1 +40357 C CA B THR X 266 0.1935 0.7886 0.7837 -0.0287 -0.0669 0.0038 277 THR d CA ? ? 1 +40358 C C A THR X 266 0.1926 0.7846 0.7844 -0.0308 -0.0627 0.0041 277 THR d C ? ? 1 +40359 C C B THR X 266 0.1910 0.7835 0.7831 -0.0305 -0.0627 0.0043 277 THR d C ? ? 1 +40360 O O A THR X 266 0.1869 0.7826 0.7867 -0.0339 -0.0621 0.0036 277 THR d O ? ? 1 +40361 O O B THR X 266 0.1847 0.7812 0.7850 -0.0335 -0.0620 0.0041 277 THR d O ? ? 1 +40362 C CB A THR X 266 0.1902 0.7878 0.7813 -0.0258 -0.0650 0.0073 277 THR d CB ? ? 1 +40363 C CB B THR X 266 0.1888 0.7865 0.7797 -0.0256 -0.0648 0.0075 277 THR d CB ? ? 1 +40364 O OG1 A THR X 266 0.1933 0.7933 0.7830 -0.0242 -0.0692 0.0066 277 THR d OG1 ? ? 1 +40365 O OG1 B THR X 266 0.1922 0.7920 0.7814 -0.0238 -0.0690 0.0070 277 THR d OG1 ? ? 1 +40366 C CG2 A THR X 266 0.1790 0.7827 0.7801 -0.0273 -0.0624 0.0094 277 THR d CG2 ? ? 1 +40367 C CG2 B THR X 266 0.1775 0.7813 0.7785 -0.0271 -0.0623 0.0096 277 THR d CG2 ? ? 1 +40368 N N A GLY X 267 0.1978 0.7829 0.7816 -0.0286 -0.0597 0.0050 278 GLY d N ? ? 1 +40369 N N B GLY X 267 0.1967 0.7821 0.7807 -0.0286 -0.0599 0.0049 278 GLY d N ? ? 1 +40370 C CA A GLY X 267 0.1969 0.7784 0.7807 -0.0294 -0.0558 0.0054 278 GLY d CA ? ? 1 +40371 C CA B GLY X 267 0.1955 0.7775 0.7800 -0.0296 -0.0560 0.0054 278 GLY d CA ? ? 1 +40372 C C A GLY X 267 0.1990 0.7787 0.7850 -0.0336 -0.0573 0.0023 278 GLY d C ? ? 1 +40373 C C B GLY X 267 0.1981 0.7782 0.7845 -0.0337 -0.0575 0.0023 278 GLY d C ? ? 1 +40374 O O A GLY X 267 0.1933 0.7744 0.7850 -0.0357 -0.0552 0.0029 278 GLY d O ? ? 1 +40375 O O B GLY X 267 0.1923 0.7740 0.7846 -0.0360 -0.0555 0.0028 278 GLY d O ? ? 1 +40376 N N . LEU X 268 0.2077 0.7839 0.7886 -0.0346 -0.0609 -0.0009 279 LEU d N ? ? 1 +40377 C CA . LEU X 268 0.2122 0.7864 0.7948 -0.0389 -0.0624 -0.0043 279 LEU d CA ? ? 1 +40378 C CB . LEU X 268 0.2236 0.7935 0.7991 -0.0394 -0.0666 -0.0079 279 LEU d CB ? ? 1 +40379 C CG . LEU X 268 0.2338 0.7936 0.7998 -0.0389 -0.0649 -0.0092 279 LEU d CG ? ? 1 +40380 C CD1 . LEU X 268 0.2353 0.7908 0.7940 -0.0339 -0.0612 -0.0062 279 LEU d CD1 ? ? 1 +40381 C CD2 . LEU X 268 0.2446 0.8003 0.8045 -0.0403 -0.0694 -0.0134 279 LEU d CD2 ? ? 1 +40382 C C . LEU X 268 0.2050 0.7873 0.7989 -0.0426 -0.0638 -0.0048 279 LEU d C ? ? 1 +40383 O O . LEU X 268 0.2031 0.7847 0.8010 -0.0460 -0.0621 -0.0055 279 LEU d O ? ? 1 +40384 N N . TRP X 269 0.2017 0.7913 0.8003 -0.0418 -0.0665 -0.0044 280 TRP d N ? ? 1 +40385 C CA . TRP X 269 0.1950 0.7930 0.8046 -0.0447 -0.0676 -0.0048 280 TRP d CA ? ? 1 +40386 C CB . TRP X 269 0.1907 0.7956 0.8034 -0.0426 -0.0710 -0.0043 280 TRP d CB ? ? 1 +40387 C CG . TRP X 269 0.1956 0.8027 0.8088 -0.0441 -0.0765 -0.0082 280 TRP d CG ? ? 1 +40388 C CD1 . TRP X 269 0.2038 0.8075 0.8089 -0.0419 -0.0801 -0.0099 280 TRP d CD1 ? ? 1 +40389 N NE1 . TRP X 269 0.2068 0.8147 0.8156 -0.0442 -0.0852 -0.0138 280 TRP d NE1 ? ? 1 +40390 C CE2 . TRP X 269 0.1994 0.8138 0.8193 -0.0483 -0.0846 -0.0147 280 TRP d CE2 ? ? 1 +40391 C CZ2 . TRP X 269 0.1989 0.8200 0.8269 -0.0519 -0.0884 -0.0185 280 TRP d CZ2 ? ? 1 +40392 C CH2 . TRP X 269 0.1915 0.8181 0.8299 -0.0557 -0.0862 -0.0185 280 TRP d CH2 ? ? 1 +40393 C CZ3 . TRP X 269 0.1843 0.8097 0.8246 -0.0556 -0.0806 -0.0149 280 TRP d CZ3 ? ? 1 +40394 C CE3 . TRP X 269 0.1845 0.8036 0.8170 -0.0519 -0.0773 -0.0113 280 TRP d CE3 ? ? 1 +40395 C CD2 . TRP X 269 0.1920 0.8057 0.8144 -0.0483 -0.0791 -0.0112 280 TRP d CD2 ? ? 1 +40396 C C . TRP X 269 0.1890 0.7888 0.8044 -0.0455 -0.0631 -0.0020 280 TRP d C ? ? 1 +40397 O O . TRP X 269 0.1849 0.7877 0.8073 -0.0492 -0.0627 -0.0030 280 TRP d O ? ? 1 +40398 N N . MET X 270 0.1885 0.7864 0.8007 -0.0419 -0.0598 0.0015 281 MET d N ? ? 1 +40399 C CA . MET X 270 0.1827 0.7824 0.8000 -0.0421 -0.0559 0.0042 281 MET d CA ? ? 1 +40400 C CB . MET X 270 0.1848 0.7841 0.7993 -0.0378 -0.0532 0.0077 281 MET d CB ? ? 1 +40401 C CG . MET X 270 0.1839 0.7894 0.8015 -0.0359 -0.0548 0.0092 281 MET d CG ? ? 1 +40402 S SD . MET X 270 0.1818 0.7964 0.8112 -0.0384 -0.0558 0.0095 281 MET d SD ? ? 1 +40403 C CE . MET X 270 0.1838 0.8018 0.8143 -0.0397 -0.0613 0.0061 281 MET d CE ? ? 1 +40404 C C . MET X 270 0.1839 0.7776 0.7993 -0.0443 -0.0533 0.0034 281 MET d C ? ? 1 +40405 O O . MET X 270 0.1797 0.7752 0.8007 -0.0465 -0.0514 0.0040 281 MET d O ? ? 1 +40406 N N . SER X 271 0.1920 0.7779 0.7990 -0.0436 -0.0532 0.0020 282 SER d N ? ? 1 +40407 C CA . SER X 271 0.1957 0.7749 0.7999 -0.0456 -0.0509 0.0011 282 SER d CA ? ? 1 +40408 C CB . SER X 271 0.2057 0.7759 0.7993 -0.0434 -0.0505 0.0001 282 SER d CB ? ? 1 +40409 O OG . SER X 271 0.2135 0.7818 0.8030 -0.0444 -0.0543 -0.0030 282 SER d OG ? ? 1 +40410 C C . SER X 271 0.1971 0.7772 0.8060 -0.0509 -0.0526 -0.0018 282 SER d C ? ? 1 +40411 O O . SER X 271 0.1953 0.7732 0.8063 -0.0533 -0.0501 -0.0016 282 SER d O ? ? 1 +40412 N N . ALA X 272 0.1997 0.7833 0.8104 -0.0527 -0.0567 -0.0046 283 ALA d N ? ? 1 +40413 C CA . ALA X 272 0.2013 0.7874 0.8179 -0.0580 -0.0584 -0.0076 283 ALA d CA ? ? 1 +40414 C CB . ALA X 272 0.2035 0.7948 0.8223 -0.0590 -0.0635 -0.0106 283 ALA d CB ? ? 1 +40415 C C . ALA X 272 0.1929 0.7853 0.8190 -0.0601 -0.0563 -0.0061 283 ALA d C ? ? 1 +40416 O O . ALA X 272 0.1941 0.7846 0.8228 -0.0642 -0.0546 -0.0073 283 ALA d O ? ? 1 +40417 N N . ILE X 273 0.1861 0.7852 0.8166 -0.0574 -0.0561 -0.0034 284 ILE d N ? ? 1 +40418 C CA . ILE X 273 0.1793 0.7844 0.8185 -0.0590 -0.0542 -0.0019 284 ILE d CA ? ? 1 +40419 C CB . ILE X 273 0.1738 0.7859 0.8166 -0.0554 -0.0549 0.0006 284 ILE d CB ? ? 1 +40420 C CG1 . ILE X 273 0.1765 0.7942 0.8216 -0.0552 -0.0596 -0.0015 284 ILE d CG1 ? ? 1 +40421 C CG2 . ILE X 273 0.1659 0.7832 0.8165 -0.0565 -0.0525 0.0025 284 ILE d CG2 ? ? 1 +40422 C CD1 . ILE X 273 0.1722 0.7957 0.8198 -0.0515 -0.0604 0.0009 284 ILE d CD1 ? ? 1 +40423 C C . ILE X 273 0.1789 0.7786 0.8165 -0.0595 -0.0498 0.0000 284 ILE d C ? ? 1 +40424 O O . ILE X 273 0.1763 0.7774 0.8190 -0.0630 -0.0481 -0.0004 284 ILE d O ? ? 1 +40425 N N . GLY X 274 0.1809 0.7746 0.8113 -0.0559 -0.0477 0.0020 285 GLY d N ? ? 1 +40426 C CA . GLY X 274 0.1813 0.7692 0.8092 -0.0558 -0.0439 0.0037 285 GLY d CA ? ? 1 +40427 C C . GLY X 274 0.1892 0.7704 0.8147 -0.0600 -0.0431 0.0013 285 GLY d C ? ? 1 +40428 O O . GLY X 274 0.1881 0.7674 0.8154 -0.0619 -0.0404 0.0021 285 GLY d O ? ? 1 +40429 N N . VAL X 275 0.1983 0.7754 0.8193 -0.0615 -0.0453 -0.0017 286 VAL d N ? ? 1 +40430 C CA . VAL X 275 0.2065 0.7767 0.8248 -0.0658 -0.0447 -0.0043 286 VAL d CA ? ? 1 +40431 C CB . VAL X 275 0.2168 0.7813 0.8278 -0.0658 -0.0472 -0.0072 286 VAL d CB ? ? 1 +40432 C CG1 . VAL X 275 0.2260 0.7843 0.8353 -0.0711 -0.0472 -0.0105 286 VAL d CG1 ? ? 1 +40433 C CG2 . VAL X 275 0.2211 0.7785 0.8228 -0.0606 -0.0457 -0.0053 286 VAL d CG2 ? ? 1 +40434 C C . VAL X 275 0.2034 0.7789 0.8302 -0.0713 -0.0451 -0.0062 286 VAL d C ? ? 1 +40435 O O . VAL X 275 0.2100 0.7800 0.8359 -0.0752 -0.0429 -0.0073 286 VAL d O ? ? 1 +40436 N N . VAL X 276 0.1946 0.7804 0.8294 -0.0717 -0.0476 -0.0067 287 VAL d N ? ? 1 +40437 C CA . VAL X 276 0.1892 0.7813 0.8332 -0.0764 -0.0475 -0.0081 287 VAL d CA ? ? 1 +40438 C CB . VAL X 276 0.1826 0.7861 0.8345 -0.0756 -0.0511 -0.0089 287 VAL d CB ? ? 1 +40439 C CG1 . VAL X 276 0.1781 0.7894 0.8405 -0.0798 -0.0504 -0.0100 287 VAL d CG1 ? ? 1 +40440 C CG2 . VAL X 276 0.1882 0.7922 0.8377 -0.0756 -0.0556 -0.0121 287 VAL d CG2 ? ? 1 +40441 C C . VAL X 276 0.1833 0.7745 0.8294 -0.0767 -0.0432 -0.0053 287 VAL d C ? ? 1 +40442 O O . VAL X 276 0.1839 0.7740 0.8331 -0.0812 -0.0411 -0.0064 287 VAL d O ? ? 1 +40443 N N . GLY X 277 0.1777 0.7690 0.8217 -0.0719 -0.0418 -0.0018 288 GLY d N ? ? 1 +40444 C CA . GLY X 277 0.1737 0.7633 0.8184 -0.0714 -0.0380 0.0010 288 GLY d CA ? ? 1 +40445 C C . GLY X 277 0.1818 0.7604 0.8195 -0.0731 -0.0350 0.0009 288 GLY d C ? ? 1 +40446 O O . GLY X 277 0.1838 0.7605 0.8232 -0.0757 -0.0322 0.0015 288 GLY d O ? ? 1 +40447 N N . LEU X 278 0.1885 0.7592 0.8179 -0.0715 -0.0355 0.0002 289 LEU d N ? ? 1 +40448 C CA . LEU X 278 0.1972 0.7565 0.8190 -0.0725 -0.0328 0.0001 289 LEU d CA ? ? 1 +40449 C CB . LEU X 278 0.2032 0.7553 0.8158 -0.0686 -0.0335 0.0001 289 LEU d CB ? ? 1 +40450 C CG . LEU X 278 0.1965 0.7514 0.8078 -0.0624 -0.0333 0.0032 289 LEU d CG ? ? 1 +40451 C CD1 . LEU X 278 0.2037 0.7509 0.8059 -0.0586 -0.0333 0.0031 289 LEU d CD1 ? ? 1 +40452 C CD2 . LEU X 278 0.1915 0.7468 0.8046 -0.0608 -0.0305 0.0062 289 LEU d CD2 ? ? 1 +40453 C C . LEU X 278 0.2053 0.7611 0.8280 -0.0789 -0.0324 -0.0030 289 LEU d C ? ? 1 +40454 O O . LEU X 278 0.2124 0.7594 0.8304 -0.0808 -0.0294 -0.0028 289 LEU d O ? ? 1 +40455 N N . ALA X 279 0.2048 0.7674 0.8336 -0.0823 -0.0353 -0.0060 290 ALA d N ? ? 1 +40456 C CA . ALA X 279 0.2111 0.7724 0.8429 -0.0889 -0.0348 -0.0091 290 ALA d CA ? ? 1 +40457 C CB . ALA X 279 0.2079 0.7797 0.8483 -0.0915 -0.0386 -0.0122 290 ALA d CB ? ? 1 +40458 C C . ALA X 279 0.2100 0.7709 0.8453 -0.0917 -0.0307 -0.0077 290 ALA d C ? ? 1 +40459 O O . ALA X 279 0.2181 0.7724 0.8515 -0.0964 -0.0284 -0.0092 290 ALA d O ? ? 1 +40460 N N . LEU X 280 0.2019 0.7696 0.8418 -0.0886 -0.0300 -0.0047 291 LEU d N ? ? 1 +40461 C CA . LEU X 280 0.2010 0.7695 0.8444 -0.0904 -0.0264 -0.0030 291 LEU d CA ? ? 1 +40462 C CB . LEU X 280 0.1911 0.7728 0.8448 -0.0896 -0.0279 -0.0025 291 LEU d CB ? ? 1 +40463 C CG . LEU X 280 0.1903 0.7811 0.8519 -0.0925 -0.0316 -0.0060 291 LEU d CG ? ? 1 +40464 C CD1 . LEU X 280 0.1804 0.7835 0.8522 -0.0920 -0.0324 -0.0054 291 LEU d CD1 ? ? 1 +40465 C CD2 . LEU X 280 0.1980 0.7863 0.8613 -0.0992 -0.0307 -0.0096 291 LEU d CD2 ? ? 1 +40466 C C . LEU X 280 0.2016 0.7626 0.8378 -0.0864 -0.0235 0.0007 291 LEU d C ? ? 1 +40467 O O . LEU X 280 0.1984 0.7606 0.8369 -0.0865 -0.0210 0.0026 291 LEU d O ? ? 1 +40468 N N . ASN X 281 0.2069 0.7601 0.8343 -0.0827 -0.0240 0.0014 292 ASN d N ? ? 1 +40469 C CA . ASN X 281 0.2064 0.7540 0.8276 -0.0776 -0.0221 0.0047 292 ASN d CA ? ? 1 +40470 C CB . ASN X 281 0.2124 0.7505 0.8284 -0.0795 -0.0183 0.0057 292 ASN d CB ? ? 1 +40471 C CG . ASN X 281 0.2238 0.7501 0.8318 -0.0820 -0.0172 0.0038 292 ASN d CG ? ? 1 +40472 O OD1 . ASN X 281 0.2275 0.7510 0.8317 -0.0812 -0.0193 0.0022 292 ASN d OD1 ? ? 1 +40473 N ND2 . ASN X 281 0.2309 0.7493 0.8354 -0.0853 -0.0138 0.0041 292 ASN d ND2 ? ? 1 +40474 C C . ASN X 281 0.1964 0.7533 0.8232 -0.0737 -0.0227 0.0074 292 ASN d C ? ? 1 +40475 O O . ASN X 281 0.1958 0.7501 0.8200 -0.0707 -0.0208 0.0101 292 ASN d O ? ? 1 +40476 N N . LEU X 282 0.1903 0.7575 0.8243 -0.0737 -0.0255 0.0065 293 LEU d N ? ? 1 +40477 C CA . LEU X 282 0.1809 0.7567 0.8203 -0.0702 -0.0261 0.0089 293 LEU d CA ? ? 1 +40478 C CB . LEU X 282 0.1746 0.7610 0.8233 -0.0727 -0.0282 0.0073 293 LEU d CB ? ? 1 +40479 C CG . LEU X 282 0.1665 0.7610 0.8221 -0.0715 -0.0277 0.0092 293 LEU d CG ? ? 1 +40480 C CD1 . LEU X 282 0.1672 0.7580 0.8222 -0.0730 -0.0240 0.0107 293 LEU d CD1 ? ? 1 +40481 C CD2 . LEU X 282 0.1628 0.7670 0.8272 -0.0742 -0.0298 0.0072 293 LEU d CD2 ? ? 1 +40482 C C . LEU X 282 0.1799 0.7549 0.8148 -0.0647 -0.0274 0.0104 293 LEU d C ? ? 1 +40483 O O . LEU X 282 0.1775 0.7576 0.8143 -0.0632 -0.0301 0.0097 293 LEU d O ? ? 1 +40484 N N . ARG X 283 0.1841 0.7519 0.8126 -0.0617 -0.0254 0.0123 294 ARG d N ? ? 1 +40485 C CA . ARG X 283 0.1868 0.7517 0.8098 -0.0567 -0.0260 0.0134 294 ARG d CA ? ? 1 +40486 C CB . ARG X 283 0.1964 0.7501 0.8107 -0.0553 -0.0238 0.0139 294 ARG d CB ? ? 1 +40487 C CG . ARG X 283 0.2063 0.7515 0.8159 -0.0595 -0.0232 0.0114 294 ARG d CG ? ? 1 +40488 C CD . ARG X 283 0.2143 0.7490 0.8169 -0.0591 -0.0203 0.0125 294 ARG d CD ? ? 1 +40489 N NE . ARG X 283 0.2252 0.7507 0.8225 -0.0632 -0.0195 0.0101 294 ARG d NE ? ? 1 +40490 C CZ . ARG X 283 0.2348 0.7501 0.8260 -0.0645 -0.0169 0.0105 294 ARG d CZ ? ? 1 +40491 N NH1 . ARG X 283 0.2356 0.7487 0.8250 -0.0618 -0.0150 0.0131 294 ARG d NH1 ? ? 1 +40492 N NH2 . ARG X 283 0.2449 0.7517 0.8313 -0.0686 -0.0162 0.0082 294 ARG d NH2 ? ? 1 +40493 C C . ARG X 283 0.1778 0.7490 0.8041 -0.0524 -0.0259 0.0161 294 ARG d C ? ? 1 +40494 O O . ARG X 283 0.1724 0.7472 0.8030 -0.0529 -0.0248 0.0175 294 ARG d O ? ? 1 +40495 N N A SER X 284 0.1784 0.7505 0.8024 -0.0484 -0.0268 0.0168 295 SER d N ? ? 1 +40496 N N B SER X 284 0.1782 0.7503 0.8023 -0.0484 -0.0268 0.0168 295 SER d N ? ? 1 +40497 C CA A SER X 284 0.1736 0.7486 0.7985 -0.0439 -0.0260 0.0193 295 SER d CA ? ? 1 +40498 C CA B SER X 284 0.1733 0.7485 0.7984 -0.0440 -0.0260 0.0193 295 SER d CA ? ? 1 +40499 C C A SER X 284 0.1799 0.7466 0.7977 -0.0409 -0.0243 0.0201 295 SER d C ? ? 1 +40500 C C B SER X 284 0.1800 0.7465 0.7977 -0.0411 -0.0243 0.0200 295 SER d C ? ? 1 +40501 O O A SER X 284 0.1831 0.7481 0.7972 -0.0374 -0.0244 0.0203 295 SER d O ? ? 1 +40502 O O B SER X 284 0.1838 0.7482 0.7975 -0.0378 -0.0245 0.0200 295 SER d O ? ? 1 +40503 C CB A SER X 284 0.1698 0.7507 0.7965 -0.0412 -0.0275 0.0197 295 SER d CB ? ? 1 +40504 C CB B SER X 284 0.1693 0.7505 0.7964 -0.0413 -0.0275 0.0198 295 SER d CB ? ? 1 +40505 O OG A SER X 284 0.1645 0.7532 0.7978 -0.0433 -0.0292 0.0193 295 SER d OG ? ? 1 +40506 O OG B SER X 284 0.1769 0.7532 0.7979 -0.0397 -0.0280 0.0186 295 SER d OG ? ? 1 +40507 N N . TYR X 285 0.1832 0.7446 0.7989 -0.0423 -0.0227 0.0205 296 TYR d N ? ? 1 +40508 C CA . TYR X 285 0.1916 0.7439 0.7998 -0.0395 -0.0212 0.0211 296 TYR d CA ? ? 1 +40509 C CB . TYR X 285 0.2001 0.7443 0.8045 -0.0428 -0.0195 0.0206 296 TYR d CB ? ? 1 +40510 C CG . TYR X 285 0.2129 0.7462 0.8081 -0.0400 -0.0182 0.0208 296 TYR d CG ? ? 1 +40511 C CD1 . TYR X 285 0.2232 0.7488 0.8120 -0.0406 -0.0183 0.0190 296 TYR d CD1 ? ? 1 +40512 C CD2 . TYR X 285 0.2166 0.7474 0.8093 -0.0360 -0.0173 0.0229 296 TYR d CD2 ? ? 1 +40513 C CE1 . TYR X 285 0.2344 0.7496 0.8144 -0.0375 -0.0171 0.0191 296 TYR d CE1 ? ? 1 +40514 C CE2 . TYR X 285 0.2269 0.7479 0.8111 -0.0326 -0.0164 0.0231 296 TYR d CE2 ? ? 1 +40515 C CZ . TYR X 285 0.2366 0.7496 0.8143 -0.0332 -0.0162 0.0213 296 TYR d CZ ? ? 1 +40516 O OH . TYR X 285 0.2498 0.7527 0.8188 -0.0294 -0.0152 0.0215 296 TYR d OH ? ? 1 +40517 C C . TYR X 285 0.1876 0.7428 0.7969 -0.0347 -0.0207 0.0234 296 TYR d C ? ? 1 +40518 O O . TYR X 285 0.1915 0.7433 0.7964 -0.0305 -0.0203 0.0238 296 TYR d O ? ? 1 +40519 N N . ASP X 286 0.1798 0.7413 0.7951 -0.0353 -0.0206 0.0247 297 ASP d N ? ? 1 +40520 C CA . ASP X 286 0.1767 0.7403 0.7929 -0.0313 -0.0202 0.0267 297 ASP d CA ? ? 1 +40521 C CB . ASP X 286 0.1803 0.7385 0.7938 -0.0323 -0.0189 0.0275 297 ASP d CB ? ? 1 +40522 C CG . ASP X 286 0.1782 0.7377 0.7951 -0.0375 -0.0184 0.0270 297 ASP d CG ? ? 1 +40523 O OD1 . ASP X 286 0.1717 0.7383 0.7947 -0.0401 -0.0194 0.0262 297 ASP d OD1 ? ? 1 +40524 O OD2 . ASP X 286 0.1830 0.7365 0.7964 -0.0389 -0.0169 0.0274 297 ASP d OD2 ? ? 1 +40525 C C . ASP X 286 0.1667 0.7410 0.7909 -0.0307 -0.0212 0.0277 297 ASP d C ? ? 1 +40526 O O . ASP X 286 0.1639 0.7436 0.7928 -0.0335 -0.0221 0.0271 297 ASP d O ? ? 1 +40527 N N . PHE X 287 0.1637 0.7407 0.7892 -0.0268 -0.0211 0.0292 298 PHE d N ? ? 1 +40528 C CA . PHE X 287 0.1537 0.7395 0.7862 -0.0262 -0.0216 0.0305 298 PHE d CA ? ? 1 +40529 C CB . PHE X 287 0.1500 0.7408 0.7846 -0.0222 -0.0219 0.0311 298 PHE d CB ? ? 1 +40530 C CG . PHE X 287 0.1488 0.7422 0.7841 -0.0226 -0.0223 0.0303 298 PHE d CG ? ? 1 +40531 C CD1 . PHE X 287 0.1426 0.7417 0.7827 -0.0253 -0.0232 0.0301 298 PHE d CD1 ? ? 1 +40532 C CD2 . PHE X 287 0.1546 0.7443 0.7852 -0.0201 -0.0218 0.0296 298 PHE d CD2 ? ? 1 +40533 C CE1 . PHE X 287 0.1431 0.7438 0.7829 -0.0255 -0.0237 0.0294 298 PHE d CE1 ? ? 1 +40534 C CE2 . PHE X 287 0.1549 0.7463 0.7853 -0.0205 -0.0222 0.0288 298 PHE d CE2 ? ? 1 +40535 C CZ . PHE X 287 0.1495 0.7463 0.7844 -0.0232 -0.0232 0.0288 298 PHE d CZ ? ? 1 +40536 C C . PHE X 287 0.1537 0.7377 0.7856 -0.0253 -0.0212 0.0316 298 PHE d C ? ? 1 +40537 O O . PHE X 287 0.1586 0.7395 0.7871 -0.0215 -0.0210 0.0322 298 PHE d O ? ? 1 +40538 N N . ILE X 288 0.1469 0.7331 0.7820 -0.0285 -0.0210 0.0318 299 ILE d N ? ? 1 +40539 C CA . ILE X 288 0.1472 0.7308 0.7809 -0.0280 -0.0205 0.0328 299 ILE d CA ? ? 1 +40540 C CB . ILE X 288 0.1416 0.7282 0.7793 -0.0321 -0.0200 0.0328 299 ILE d CB ? ? 1 +40541 C CG1 . ILE X 288 0.1466 0.7294 0.7827 -0.0364 -0.0192 0.0313 299 ILE d CG1 ? ? 1 +40542 C CG2 . ILE X 288 0.1427 0.7265 0.7784 -0.0315 -0.0193 0.0339 299 ILE d CG2 ? ? 1 +40543 C CD1 . ILE X 288 0.1436 0.7296 0.7841 -0.0408 -0.0185 0.0309 299 ILE d CD1 ? ? 1 +40544 C C . ILE X 288 0.1433 0.7304 0.7786 -0.0237 -0.0212 0.0341 299 ILE d C ? ? 1 +40545 O O . ILE X 288 0.1468 0.7290 0.7777 -0.0213 -0.0210 0.0347 299 ILE d O ? ? 1 +40546 N N . SER X 289 0.1374 0.7329 0.7789 -0.0227 -0.0221 0.0343 300 SER d N ? ? 1 +40547 C CA . SER X 289 0.1360 0.7357 0.7800 -0.0189 -0.0228 0.0352 300 SER d CA ? ? 1 +40548 C CB . SER X 289 0.1263 0.7350 0.7772 -0.0188 -0.0234 0.0354 300 SER d CB ? ? 1 +40549 O OG . SER X 289 0.1269 0.7358 0.7772 -0.0187 -0.0231 0.0347 300 SER d OG ? ? 1 +40550 C C . SER X 289 0.1451 0.7403 0.7842 -0.0147 -0.0228 0.0351 300 SER d C ? ? 1 +40551 O O . SER X 289 0.1488 0.7427 0.7864 -0.0118 -0.0234 0.0357 300 SER d O ? ? 1 +40552 N N . GLN X 290 0.1535 0.7458 0.7897 -0.0141 -0.0223 0.0343 301 GLN d N ? ? 1 +40553 C CA . GLN X 290 0.1635 0.7506 0.7944 -0.0100 -0.0221 0.0341 301 GLN d CA ? ? 1 +40554 C CB . GLN X 290 0.1694 0.7532 0.7970 -0.0104 -0.0214 0.0330 301 GLN d CB ? ? 1 +40555 C CG . GLN X 290 0.1651 0.7564 0.7978 -0.0105 -0.0214 0.0327 301 GLN d CG ? ? 1 +40556 C CD . GLN X 290 0.1668 0.7613 0.8008 -0.0059 -0.0211 0.0328 301 GLN d CD ? ? 1 +40557 O OE1 . GLN X 290 0.1749 0.7640 0.8037 -0.0027 -0.0207 0.0323 301 GLN d OE1 ? ? 1 +40558 N NE2 . GLN X 290 0.1608 0.7640 0.8017 -0.0055 -0.0213 0.0333 301 GLN d NE2 ? ? 1 +40559 C C . GLN X 290 0.1742 0.7520 0.7978 -0.0090 -0.0219 0.0343 301 GLN d C ? ? 1 +40560 O O . GLN X 290 0.1809 0.7560 0.8014 -0.0047 -0.0223 0.0345 301 GLN d O ? ? 1 +40561 N N . GLU X 291 0.1785 0.7509 0.7990 -0.0130 -0.0211 0.0341 302 GLU d N ? ? 1 +40562 C CA . GLU X 291 0.1894 0.7513 0.8017 -0.0126 -0.0204 0.0343 302 GLU d CA ? ? 1 +40563 C CB . GLU X 291 0.1911 0.7474 0.8005 -0.0180 -0.0190 0.0336 302 GLU d CB ? ? 1 +40564 C CG . GLU X 291 0.1909 0.7453 0.7990 -0.0196 -0.0187 0.0322 302 GLU d CG ? ? 1 +40565 C CD . GLU X 291 0.1988 0.7449 0.7992 -0.0161 -0.0184 0.0317 302 GLU d CD ? ? 1 +40566 O OE1 . GLU X 291 0.2055 0.7465 0.8012 -0.0123 -0.0184 0.0325 302 GLU d OE1 ? ? 1 +40567 O OE2 . GLU X 291 0.1992 0.7439 0.7984 -0.0170 -0.0182 0.0304 302 GLU d OE2 ? ? 1 +40568 C C . GLU X 291 0.1935 0.7557 0.8057 -0.0108 -0.0210 0.0355 302 GLU d C ? ? 1 +40569 O O . GLU X 291 0.2060 0.7611 0.8117 -0.0075 -0.0212 0.0359 302 GLU d O ? ? 1 +40570 N N . ILE X 292 0.1898 0.7597 0.8087 -0.0129 -0.0215 0.0359 303 ILE d N ? ? 1 +40571 C CA . ILE X 292 0.1931 0.7639 0.8123 -0.0113 -0.0223 0.0369 303 ILE d CA ? ? 1 +40572 C CB . ILE X 292 0.1830 0.7617 0.8095 -0.0147 -0.0225 0.0371 303 ILE d CB ? ? 1 +40573 C CG1 . ILE X 292 0.1846 0.7596 0.8096 -0.0199 -0.0207 0.0369 303 ILE d CG1 ? ? 1 +40574 C CG2 . ILE X 292 0.1810 0.7622 0.8087 -0.0126 -0.0237 0.0380 303 ILE d CG2 ? ? 1 +40575 C CD1 . ILE X 292 0.1766 0.7593 0.8088 -0.0230 -0.0208 0.0370 303 ILE d CD1 ? ? 1 +40576 C C . ILE X 292 0.1987 0.7725 0.8187 -0.0057 -0.0240 0.0371 303 ILE d C ? ? 1 +40577 O O . ILE X 292 0.2043 0.7732 0.8193 -0.0025 -0.0248 0.0376 303 ILE d O ? ? 1 +40578 N N . ARG X 293 0.2022 0.7838 0.8282 -0.0043 -0.0246 0.0366 304 ARG d N ? ? 1 +40579 C CA . ARG X 293 0.2132 0.7985 0.8410 0.0008 -0.0260 0.0365 304 ARG d CA ? ? 1 +40580 C CB . ARG X 293 0.2169 0.8113 0.8521 0.0010 -0.0258 0.0360 304 ARG d CB ? ? 1 +40581 C CG . ARG X 293 0.2258 0.8252 0.8641 0.0060 -0.0269 0.0356 304 ARG d CG ? ? 1 +40582 C CD . ARG X 293 0.2340 0.8385 0.8762 0.0075 -0.0287 0.0360 304 ARG d CD ? ? 1 +40583 N NE . ARG X 293 0.2466 0.8560 0.8921 0.0124 -0.0298 0.0353 304 ARG d NE ? ? 1 +40584 C CZ . ARG X 293 0.2496 0.8679 0.9024 0.0129 -0.0294 0.0348 304 ARG d CZ ? ? 1 +40585 N NH1 . ARG X 293 0.2424 0.8652 0.8998 0.0091 -0.0280 0.0349 304 ARG d NH1 ? ? 1 +40586 N NH2 . ARG X 293 0.2585 0.8812 0.9144 0.0175 -0.0304 0.0340 304 ARG d NH2 ? ? 1 +40587 C C . ARG X 293 0.2224 0.7987 0.8420 0.0048 -0.0259 0.0363 304 ARG d C ? ? 1 +40588 O O . ARG X 293 0.2206 0.7950 0.8376 0.0089 -0.0273 0.0366 304 ARG d O ? ? 1 +40589 N N . ALA X 294 0.2256 0.7958 0.8405 0.0036 -0.0244 0.0358 305 ALA d N ? ? 1 +40590 C CA . ALA X 294 0.2335 0.7950 0.8406 0.0074 -0.0242 0.0355 305 ALA d CA ? ? 1 +40591 C CB . ALA X 294 0.2362 0.7931 0.8401 0.0051 -0.0226 0.0346 305 ALA d CB ? ? 1 +40592 C C . ALA X 294 0.2450 0.7962 0.8434 0.0087 -0.0244 0.0362 305 ALA d C ? ? 1 +40593 O O . ALA X 294 0.2561 0.8029 0.8498 0.0138 -0.0253 0.0363 305 ALA d O ? ? 1 +40594 N N . ALA X 295 0.2443 0.7914 0.8405 0.0040 -0.0233 0.0367 306 ALA d N ? ? 1 +40595 C CA . ALA X 295 0.2555 0.7923 0.8430 0.0045 -0.0230 0.0376 306 ALA d CA ? ? 1 +40596 C CB . ALA X 295 0.2557 0.7904 0.8431 -0.0017 -0.0213 0.0379 306 ALA d CB ? ? 1 +40597 C C . ALA X 295 0.2576 0.7967 0.8453 0.0091 -0.0252 0.0383 306 ALA d C ? ? 1 +40598 O O . ALA X 295 0.2714 0.8016 0.8507 0.0127 -0.0257 0.0388 306 ALA d O ? ? 1 +40599 N N . GLU X 296 0.2548 0.8054 0.8517 0.0089 -0.0266 0.0383 307 GLU d N ? ? 1 +40600 C CA . GLU X 296 0.2643 0.8183 0.8625 0.0128 -0.0290 0.0387 307 GLU d CA ? ? 1 +40601 C CB . GLU X 296 0.2730 0.8375 0.8802 0.0099 -0.0297 0.0387 307 GLU d CB ? ? 1 +40602 C CG . GLU X 296 0.2949 0.8566 0.9007 0.0048 -0.0282 0.0394 307 GLU d CG ? ? 1 +40603 C CD . GLU X 296 0.3068 0.8794 0.9223 0.0019 -0.0287 0.0393 307 GLU d CD ? ? 1 +40604 O OE1 . GLU X 296 0.3098 0.8918 0.9330 0.0036 -0.0301 0.0387 307 GLU d OE1 ? ? 1 +40605 O OE2 . GLU X 296 0.3342 0.9058 0.9496 -0.0021 -0.0275 0.0397 307 GLU d OE2 ? ? 1 +40606 C C . GLU X 296 0.2529 0.8117 0.8537 0.0189 -0.0310 0.0380 307 GLU d C ? ? 1 +40607 O O . GLU X 296 0.2536 0.8123 0.8528 0.0233 -0.0333 0.0381 307 GLU d O ? ? 1 +40608 N N . ASP X 297 0.2411 0.8046 0.8463 0.0190 -0.0303 0.0371 308 ASP d N ? ? 1 +40609 C CA . ASP X 297 0.2338 0.8045 0.8441 0.0240 -0.0317 0.0363 308 ASP d CA ? ? 1 +40610 C CB . ASP X 297 0.2225 0.8060 0.8441 0.0215 -0.0315 0.0358 308 ASP d CB ? ? 1 +40611 C CG . ASP X 297 0.2250 0.8172 0.8531 0.0261 -0.0327 0.0348 308 ASP d CG ? ? 1 +40612 O OD1 . ASP X 297 0.2293 0.8179 0.8533 0.0317 -0.0338 0.0344 308 ASP d OD1 ? ? 1 +40613 O OD2 . ASP X 297 0.2234 0.8260 0.8607 0.0243 -0.0324 0.0344 308 ASP d OD2 ? ? 1 +40614 C C . ASP X 297 0.2350 0.7998 0.8402 0.0269 -0.0306 0.0356 308 ASP d C ? ? 1 +40615 O O . ASP X 297 0.2281 0.7954 0.8361 0.0248 -0.0289 0.0351 308 ASP d O ? ? 1 +40616 N N . PRO X 298 0.2430 0.7992 0.8399 0.0320 -0.0315 0.0357 309 PRO d N ? ? 1 +40617 C CA . PRO X 298 0.2491 0.7986 0.8402 0.0352 -0.0305 0.0351 309 PRO d CA ? ? 1 +40618 C CB . PRO X 298 0.2610 0.7997 0.8419 0.0402 -0.0320 0.0356 309 PRO d CB ? ? 1 +40619 C CG . PRO X 298 0.2599 0.7972 0.8395 0.0378 -0.0329 0.0368 309 PRO d CG ? ? 1 +40620 C CD . PRO X 298 0.2475 0.7987 0.8390 0.0349 -0.0336 0.0365 309 PRO d CD ? ? 1 +40621 C C . PRO X 298 0.2415 0.8000 0.8396 0.0389 -0.0307 0.0338 309 PRO d C ? ? 1 +40622 O O . PRO X 298 0.2456 0.7987 0.8389 0.0420 -0.0298 0.0332 309 PRO d O ? ? 1 +40623 N N . GLU X 299 0.2309 0.8026 0.8400 0.0384 -0.0315 0.0334 310 GLU d N ? ? 1 +40624 C CA . GLU X 299 0.2293 0.8099 0.8455 0.0409 -0.0308 0.0322 310 GLU d CA ? ? 1 +40625 C CB . GLU X 299 0.2309 0.8225 0.8556 0.0447 -0.0331 0.0316 310 GLU d CB ? ? 1 +40626 C CG . GLU X 299 0.2457 0.8324 0.8650 0.0510 -0.0356 0.0314 310 GLU d CG ? ? 1 +40627 C CD . GLU X 299 0.2491 0.8477 0.8777 0.0555 -0.0377 0.0301 310 GLU d CD ? ? 1 +40628 O OE1 . GLU X 299 0.2558 0.8595 0.8885 0.0585 -0.0366 0.0289 310 GLU d OE1 ? ? 1 +40629 O OE2 . GLU X 299 0.2544 0.8577 0.8866 0.0556 -0.0402 0.0302 310 GLU d OE2 ? ? 1 +40630 C C . GLU X 299 0.2160 0.8027 0.8381 0.0356 -0.0286 0.0321 310 GLU d C ? ? 1 +40631 O O . GLU X 299 0.2133 0.8071 0.8411 0.0369 -0.0275 0.0313 310 GLU d O ? ? 1 +40632 N N . PHE X 300 0.2097 0.7934 0.8304 0.0298 -0.0279 0.0329 311 PHE d N ? ? 1 +40633 C CA . PHE X 300 0.1959 0.7846 0.8215 0.0249 -0.0261 0.0329 311 PHE d CA ? ? 1 +40634 C CB . PHE X 300 0.1886 0.7790 0.8166 0.0196 -0.0265 0.0338 311 PHE d CB ? ? 1 +40635 C CG . PHE X 300 0.1793 0.7748 0.8122 0.0147 -0.0251 0.0337 311 PHE d CG ? ? 1 +40636 C CD1 . PHE X 300 0.1698 0.7757 0.8112 0.0148 -0.0247 0.0335 311 PHE d CD1 ? ? 1 +40637 C CD2 . PHE X 300 0.1797 0.7695 0.8087 0.0102 -0.0241 0.0339 311 PHE d CD2 ? ? 1 +40638 C CE1 . PHE X 300 0.1643 0.7740 0.8092 0.0107 -0.0235 0.0335 311 PHE d CE1 ? ? 1 +40639 C CE2 . PHE X 300 0.1730 0.7674 0.8062 0.0062 -0.0232 0.0338 311 PHE d CE2 ? ? 1 +40640 C CZ . PHE X 300 0.1656 0.7695 0.8063 0.0066 -0.0229 0.0337 311 PHE d CZ ? ? 1 +40641 C C . PHE X 300 0.2009 0.7811 0.8194 0.0239 -0.0243 0.0324 311 PHE d C ? ? 1 +40642 O O . PHE X 300 0.2098 0.7794 0.8200 0.0226 -0.0241 0.0327 311 PHE d O ? ? 1 +40643 N N A GLU X 301 0.1980 0.7825 0.8196 0.0243 -0.0228 0.0317 312 GLU d N ? ? 1 +40644 N N B GLU X 301 0.1967 0.7812 0.8182 0.0242 -0.0228 0.0317 312 GLU d N ? ? 1 +40645 C CA A GLU X 301 0.2031 0.7802 0.8182 0.0237 -0.0212 0.0310 312 GLU d CA ? ? 1 +40646 C CA B GLU X 301 0.2008 0.7780 0.8160 0.0234 -0.0212 0.0310 312 GLU d CA ? ? 1 +40647 C C A GLU X 301 0.1958 0.7799 0.8163 0.0211 -0.0197 0.0306 312 GLU d C ? ? 1 +40648 C C B GLU X 301 0.1930 0.7772 0.8135 0.0208 -0.0197 0.0306 312 GLU d C ? ? 1 +40649 O O A GLU X 301 0.1909 0.7842 0.8184 0.0229 -0.0193 0.0304 312 GLU d O ? ? 1 +40650 O O B GLU X 301 0.1879 0.7813 0.8155 0.0225 -0.0193 0.0304 312 GLU d O ? ? 1 +40651 C CB A GLU X 301 0.2131 0.7848 0.8227 0.0297 -0.0210 0.0302 312 GLU d CB ? ? 1 +40652 C CB B GLU X 301 0.2107 0.7824 0.8203 0.0294 -0.0209 0.0302 312 GLU d CB ? ? 1 +40653 C CG A GLU X 301 0.2214 0.7838 0.8230 0.0293 -0.0194 0.0293 312 GLU d CG ? ? 1 +40654 C CG B GLU X 301 0.2191 0.7812 0.8205 0.0289 -0.0194 0.0294 312 GLU d CG ? ? 1 +40655 C CD A GLU X 301 0.2330 0.7872 0.8271 0.0351 -0.0192 0.0287 312 GLU d CD ? ? 1 +40656 C CD B GLU X 301 0.2305 0.7847 0.8246 0.0349 -0.0193 0.0287 312 GLU d CD ? ? 1 +40657 O OE1 A GLU X 301 0.2352 0.7925 0.8313 0.0402 -0.0204 0.0287 312 GLU d OE1 ? ? 1 +40658 O OE1 B GLU X 301 0.2322 0.7907 0.8292 0.0401 -0.0203 0.0286 312 GLU d OE1 ? ? 1 +40659 O OE2 A GLU X 301 0.2418 0.7864 0.8279 0.0347 -0.0181 0.0280 312 GLU d OE2 ? ? 1 +40660 O OE2 B GLU X 301 0.2402 0.7837 0.8255 0.0344 -0.0183 0.0281 312 GLU d OE2 ? ? 1 +40661 N N A THR X 302 0.1954 0.7748 0.8123 0.0168 -0.0190 0.0304 313 THR d N ? ? 1 +40662 N N B THR X 302 0.1920 0.7714 0.8089 0.0165 -0.0190 0.0304 313 THR d N ? ? 1 +40663 C CA A THR X 302 0.1897 0.7737 0.8095 0.0145 -0.0178 0.0300 313 THR d CA ? ? 1 +40664 C CA B THR X 302 0.1853 0.7695 0.8054 0.0140 -0.0178 0.0301 313 THR d CA ? ? 1 +40665 C C A THR X 302 0.1962 0.7712 0.8079 0.0140 -0.0168 0.0289 313 THR d C ? ? 1 +40666 C C B THR X 302 0.1912 0.7666 0.8033 0.0139 -0.0168 0.0290 313 THR d C ? ? 1 +40667 O O A THR X 302 0.2048 0.7702 0.8091 0.0148 -0.0170 0.0286 313 THR d O ? ? 1 +40668 O O B THR X 302 0.1998 0.7656 0.8045 0.0148 -0.0170 0.0286 313 THR d O ? ? 1 +40669 C CB A THR X 302 0.1814 0.7706 0.8064 0.0092 -0.0183 0.0307 313 THR d CB ? ? 1 +40670 C CB B THR X 302 0.1775 0.7664 0.8024 0.0086 -0.0185 0.0308 313 THR d CB ? ? 1 +40671 O OG1 A THR X 302 0.1842 0.7658 0.8040 0.0055 -0.0188 0.0307 313 THR d OG1 ? ? 1 +40672 O OG1 B THR X 302 0.1801 0.7613 0.7999 0.0053 -0.0191 0.0308 313 THR d OG1 ? ? 1 +40673 C CG2 A THR X 302 0.1744 0.7712 0.8065 0.0094 -0.0194 0.0317 313 THR d CG2 ? ? 1 +40674 C CG2 B THR X 302 0.1700 0.7672 0.8026 0.0089 -0.0194 0.0317 313 THR d CG2 ? ? 1 +40675 N N A PHE X 303 0.1926 0.7701 0.8052 0.0127 -0.0157 0.0284 314 PHE d N ? ? 1 +40676 N N B PHE X 303 0.1874 0.7653 0.8003 0.0128 -0.0157 0.0284 314 PHE d N ? ? 1 +40677 C CA A PHE X 303 0.1989 0.7682 0.8038 0.0116 -0.0151 0.0272 314 PHE d CA ? ? 1 +40678 C CA B PHE X 303 0.1932 0.7629 0.7985 0.0116 -0.0151 0.0272 314 PHE d CA ? ? 1 +40679 C C A PHE X 303 0.1988 0.7627 0.8008 0.0063 -0.0162 0.0271 314 PHE d C ? ? 1 +40680 C C B PHE X 303 0.1930 0.7572 0.7952 0.0064 -0.0162 0.0271 314 PHE d C ? ? 1 +40681 O O A PHE X 303 0.2068 0.7619 0.8016 0.0052 -0.0161 0.0260 314 PHE d O ? ? 1 +40682 O O B PHE X 303 0.2008 0.7565 0.7959 0.0052 -0.0160 0.0260 314 PHE d O ? ? 1 +40683 C CB A PHE X 303 0.1968 0.7704 0.8033 0.0114 -0.0138 0.0267 314 PHE d CB ? ? 1 +40684 C CB B PHE X 303 0.1911 0.7651 0.7978 0.0113 -0.0138 0.0267 314 PHE d CB ? ? 1 +40685 C CG A PHE X 303 0.2005 0.7753 0.8063 0.0167 -0.0120 0.0261 314 PHE d CG ? ? 1 +40686 C CG B PHE X 303 0.1947 0.7698 0.8007 0.0166 -0.0120 0.0261 314 PHE d CG ? ? 1 +40687 C CD1 A PHE X 303 0.2110 0.7770 0.8088 0.0198 -0.0113 0.0250 314 PHE d CD1 ? ? 1 +40688 C CD1 B PHE X 303 0.2052 0.7714 0.8032 0.0197 -0.0113 0.0250 314 PHE d CD1 ? ? 1 +40689 C CD2 A PHE X 303 0.1942 0.7789 0.8076 0.0186 -0.0110 0.0267 314 PHE d CD2 ? ? 1 +40690 C CD2 B PHE X 303 0.1884 0.7734 0.8018 0.0185 -0.0108 0.0267 314 PHE d CD2 ? ? 1 +40691 C CE1 A PHE X 303 0.2145 0.7819 0.8119 0.0250 -0.0096 0.0244 314 PHE d CE1 ? ? 1 +40692 C CE1 B PHE X 303 0.2087 0.7762 0.8062 0.0250 -0.0096 0.0244 314 PHE d CE1 ? ? 1 +40693 C CE2 A PHE X 303 0.1973 0.7838 0.8108 0.0235 -0.0091 0.0260 314 PHE d CE2 ? ? 1 +40694 C CE2 B PHE X 303 0.1916 0.7782 0.8050 0.0234 -0.0089 0.0260 314 PHE d CE2 ? ? 1 +40695 C CZ A PHE X 303 0.2072 0.7851 0.8127 0.0268 -0.0084 0.0249 314 PHE d CZ ? ? 1 +40696 C CZ B PHE X 303 0.2014 0.7794 0.8069 0.0268 -0.0083 0.0248 314 PHE d CZ ? ? 1 +40697 N N A TYR X 304 0.1898 0.7588 0.7973 0.0032 -0.0172 0.0281 315 TYR d N ? ? 1 +40698 N N B TYR X 304 0.1840 0.7531 0.7917 0.0032 -0.0172 0.0281 315 TYR d N ? ? 1 +40699 C CA A TYR X 304 0.1892 0.7539 0.7950 -0.0017 -0.0180 0.0280 315 TYR d CA ? ? 1 +40700 C CA B TYR X 304 0.1834 0.7480 0.7891 -0.0015 -0.0180 0.0280 315 TYR d CA ? ? 1 +40701 C C A TYR X 304 0.1970 0.7520 0.7960 -0.0008 -0.0180 0.0279 315 TYR d C ? ? 1 +40702 C C B TYR X 304 0.1910 0.7460 0.7901 -0.0007 -0.0180 0.0280 315 TYR d C ? ? 1 +40703 O O A TYR X 304 0.2042 0.7508 0.7971 -0.0033 -0.0178 0.0270 315 TYR d O ? ? 1 +40704 O O B TYR X 304 0.1979 0.7447 0.7911 -0.0034 -0.0178 0.0270 315 TYR d O ? ? 1 +40705 C CB A TYR X 304 0.1792 0.7520 0.7927 -0.0047 -0.0189 0.0290 315 TYR d CB ? ? 1 +40706 C CB B TYR X 304 0.1733 0.7461 0.7868 -0.0046 -0.0189 0.0291 315 TYR d CB ? ? 1 +40707 C CG A TYR X 304 0.1799 0.7488 0.7922 -0.0089 -0.0195 0.0291 315 TYR d CG ? ? 1 +40708 C CG B TYR X 304 0.1740 0.7430 0.7863 -0.0087 -0.0195 0.0292 315 TYR d CG ? ? 1 +40709 C CD1 A TYR X 304 0.1810 0.7473 0.7917 -0.0133 -0.0197 0.0281 315 TYR d CD1 ? ? 1 +40710 C CD1 B TYR X 304 0.1742 0.7413 0.7856 -0.0133 -0.0198 0.0282 315 TYR d CD1 ? ? 1 +40711 C CD2 A TYR X 304 0.1800 0.7475 0.7923 -0.0083 -0.0197 0.0301 315 TYR d CD2 ? ? 1 +40712 C CD2 B TYR X 304 0.1745 0.7417 0.7866 -0.0080 -0.0197 0.0301 315 TYR d CD2 ? ? 1 +40713 C CE1 A TYR X 304 0.1820 0.7451 0.7922 -0.0173 -0.0199 0.0279 315 TYR d CE1 ? ? 1 +40714 C CE1 B TYR X 304 0.1751 0.7392 0.7861 -0.0173 -0.0200 0.0281 315 TYR d CE1 ? ? 1 +40715 C CE2 A TYR X 304 0.1814 0.7449 0.7922 -0.0121 -0.0197 0.0302 315 TYR d CE2 ? ? 1 +40716 C CE2 B TYR X 304 0.1757 0.7392 0.7865 -0.0119 -0.0197 0.0302 315 TYR d CE2 ? ? 1 +40717 C CZ A TYR X 304 0.1821 0.7436 0.7921 -0.0168 -0.0197 0.0291 315 TYR d CZ ? ? 1 +40718 C CZ B TYR X 304 0.1754 0.7376 0.7860 -0.0166 -0.0197 0.0292 315 TYR d CZ ? ? 1 +40719 O OH A TYR X 304 0.1826 0.7406 0.7918 -0.0207 -0.0194 0.0290 315 TYR d OH ? ? 1 +40720 O OH B TYR X 304 0.1757 0.7346 0.7856 -0.0206 -0.0194 0.0292 315 TYR d OH ? ? 1 +40721 N N A THR X 305 0.1961 0.7519 0.7960 0.0028 -0.0182 0.0289 316 THR d N ? ? 1 +40722 N N B THR X 305 0.1901 0.7457 0.7898 0.0030 -0.0182 0.0289 316 THR d N ? ? 1 +40723 C CA A THR X 305 0.2041 0.7500 0.7968 0.0042 -0.0182 0.0291 316 THR d CA ? ? 1 +40724 C CA B THR X 305 0.1977 0.7435 0.7903 0.0042 -0.0182 0.0291 316 THR d CA ? ? 1 +40725 C C A THR X 305 0.2140 0.7504 0.7981 0.0071 -0.0174 0.0279 316 THR d C ? ? 1 +40726 C C B THR X 305 0.2075 0.7435 0.7914 0.0070 -0.0174 0.0280 316 THR d C ? ? 1 +40727 O O A THR X 305 0.2223 0.7479 0.7986 0.0060 -0.0170 0.0276 316 THR d O ? ? 1 +40728 O O B THR X 305 0.2156 0.7409 0.7918 0.0060 -0.0170 0.0277 316 THR d O ? ? 1 +40729 C CB A THR X 305 0.2025 0.7515 0.7976 0.0079 -0.0191 0.0303 316 THR d CB ? ? 1 +40730 C CB B THR X 305 0.1968 0.7452 0.7914 0.0081 -0.0191 0.0303 316 THR d CB ? ? 1 +40731 O OG1 A THR X 305 0.2015 0.7561 0.7998 0.0131 -0.0191 0.0301 316 THR d OG1 ? ? 1 +40732 O OG1 B THR X 305 0.1973 0.7501 0.7940 0.0137 -0.0191 0.0301 316 THR d OG1 ? ? 1 +40733 C CG2 A THR X 305 0.1931 0.7497 0.7953 0.0047 -0.0199 0.0313 316 THR d CG2 ? ? 1 +40734 C CG2 B THR X 305 0.1871 0.7438 0.7893 0.0053 -0.0199 0.0313 316 THR d CG2 ? ? 1 +40735 N N A LYS X 306 0.2134 0.7533 0.7986 0.0108 -0.0168 0.0274 317 LYS d N ? ? 1 +40736 N N B LYS X 306 0.2068 0.7462 0.7918 0.0106 -0.0168 0.0273 317 LYS d N ? ? 1 +40737 C CA A LYS X 306 0.2232 0.7545 0.8005 0.0140 -0.0159 0.0262 317 LYS d CA ? ? 1 +40738 C CA B LYS X 306 0.2165 0.7473 0.7935 0.0138 -0.0159 0.0262 317 LYS d CA ? ? 1 +40739 C C A LYS X 306 0.2285 0.7520 0.8000 0.0094 -0.0156 0.0249 317 LYS d C ? ? 1 +40740 C C B LYS X 306 0.2214 0.7445 0.7927 0.0091 -0.0156 0.0249 317 LYS d C ? ? 1 +40741 O O A LYS X 306 0.2396 0.7518 0.8023 0.0101 -0.0151 0.0241 317 LYS d O ? ? 1 +40742 O O B LYS X 306 0.2322 0.7439 0.7949 0.0092 -0.0152 0.0242 317 LYS d O ? ? 1 +40743 C CB A LYS X 306 0.2205 0.7583 0.8010 0.0183 -0.0151 0.0257 317 LYS d CB ? ? 1 +40744 C CB B LYS X 306 0.2137 0.7511 0.7940 0.0181 -0.0151 0.0257 317 LYS d CB ? ? 1 +40745 C CG A LYS X 306 0.2181 0.7617 0.8029 0.0237 -0.0153 0.0264 317 LYS d CG ? ? 1 +40746 C CG B LYS X 306 0.2111 0.7545 0.7959 0.0235 -0.0154 0.0264 317 LYS d CG ? ? 1 +40747 C CD A LYS X 306 0.2140 0.7663 0.8042 0.0271 -0.0141 0.0259 317 LYS d CD ? ? 1 +40748 C CD B LYS X 306 0.2066 0.7590 0.7970 0.0269 -0.0143 0.0260 317 LYS d CD ? ? 1 +40749 C CE A LYS X 306 0.2227 0.7686 0.8061 0.0297 -0.0126 0.0245 317 LYS d CE ? ? 1 +40750 C CE B LYS X 306 0.2150 0.7616 0.7990 0.0298 -0.0127 0.0246 317 LYS d CE ? ? 1 +40751 N NZ A LYS X 306 0.2332 0.7702 0.8094 0.0349 -0.0126 0.0240 317 LYS d NZ ? ? 1 +40752 N NZ B LYS X 306 0.2256 0.7633 0.8024 0.0350 -0.0127 0.0241 317 LYS d NZ ? ? 1 +40753 N N A ASN X 307 0.2217 0.7510 0.7979 0.0048 -0.0159 0.0246 318 ASN d N ? ? 1 +40754 N N B ASN X 307 0.2147 0.7440 0.7908 0.0048 -0.0159 0.0245 318 ASN d N ? ? 1 +40755 C CA A ASN X 307 0.2262 0.7497 0.7980 0.0005 -0.0159 0.0231 318 ASN d CA ? ? 1 +40756 C CA B ASN X 307 0.2190 0.7426 0.7909 0.0004 -0.0160 0.0230 318 ASN d CA ? ? 1 +40757 C C A ASN X 307 0.2310 0.7467 0.7990 -0.0039 -0.0162 0.0229 318 ASN d C ? ? 1 +40758 C C B ASN X 307 0.2235 0.7396 0.7918 -0.0041 -0.0162 0.0229 318 ASN d C ? ? 1 +40759 O O A ASN X 307 0.2395 0.7464 0.8009 -0.0063 -0.0159 0.0214 318 ASN d O ? ? 1 +40760 O O B ASN X 307 0.2318 0.7394 0.7938 -0.0066 -0.0160 0.0214 318 ASN d O ? ? 1 +40761 C CB A ASN X 307 0.2179 0.7502 0.7959 -0.0026 -0.0166 0.0228 318 ASN d CB ? ? 1 +40762 C CB B ASN X 307 0.2103 0.7429 0.7885 -0.0025 -0.0166 0.0228 318 ASN d CB ? ? 1 +40763 C CG A ASN X 307 0.2173 0.7538 0.7960 0.0011 -0.0158 0.0224 318 ASN d CG ? ? 1 +40764 C CG B ASN X 307 0.2101 0.7465 0.7885 0.0013 -0.0158 0.0224 318 ASN d CG ? ? 1 +40765 O OD1 A ASN X 307 0.2246 0.7566 0.7984 0.0057 -0.0147 0.0220 318 ASN d OD1 ? ? 1 +40766 O OD1 B ASN X 307 0.2180 0.7487 0.7907 0.0054 -0.0147 0.0217 318 ASN d OD1 ? ? 1 +40767 N ND2 A ASN X 307 0.2098 0.7548 0.7942 -0.0006 -0.0161 0.0227 318 ASN d ND2 ? ? 1 +40768 N ND2 B ASN X 307 0.2018 0.7473 0.7865 0.0001 -0.0160 0.0228 318 ASN d ND2 ? ? 1 +40769 N N A LEU X 308 0.2261 0.7447 0.7979 -0.0050 -0.0165 0.0243 319 LEU d N ? ? 1 +40770 N N B LEU X 308 0.2190 0.7380 0.7911 -0.0050 -0.0165 0.0244 319 LEU d N ? ? 1 +40771 C CA A LEU X 308 0.2315 0.7427 0.7996 -0.0089 -0.0161 0.0244 319 LEU d CA ? ? 1 +40772 C CA B LEU X 308 0.2246 0.7361 0.7929 -0.0088 -0.0162 0.0244 319 LEU d CA ? ? 1 +40773 C C A LEU X 308 0.2446 0.7426 0.8024 -0.0063 -0.0152 0.0241 319 LEU d C ? ? 1 +40774 C C B LEU X 308 0.2377 0.7360 0.7958 -0.0062 -0.0152 0.0242 319 LEU d C ? ? 1 +40775 O O A LEU X 308 0.2527 0.7411 0.8045 -0.0099 -0.0145 0.0232 319 LEU d O ? ? 1 +40776 O O B LEU X 308 0.2457 0.7345 0.7978 -0.0099 -0.0145 0.0233 319 LEU d O ? ? 1 +40777 C CB A LEU X 308 0.2247 0.7417 0.7986 -0.0100 -0.0165 0.0261 319 LEU d CB ? ? 1 +40778 C CB B LEU X 308 0.2179 0.7354 0.7921 -0.0098 -0.0165 0.0261 319 LEU d CB ? ? 1 +40779 C CG A LEU X 308 0.2132 0.7416 0.7966 -0.0135 -0.0173 0.0263 319 LEU d CG ? ? 1 +40780 C CG B LEU X 308 0.2070 0.7356 0.7906 -0.0137 -0.0174 0.0263 319 LEU d CG ? ? 1 +40781 C CD1 A LEU X 308 0.2092 0.7398 0.7959 -0.0159 -0.0173 0.0275 319 LEU d CD1 ? ? 1 +40782 C CD1 B LEU X 308 0.2028 0.7339 0.7899 -0.0160 -0.0174 0.0276 319 LEU d CD1 ? ? 1 +40783 C CD2 A LEU X 308 0.2137 0.7421 0.7976 -0.0183 -0.0176 0.0246 319 LEU d CD2 ? ? 1 +40784 C CD2 B LEU X 308 0.2081 0.7361 0.7918 -0.0186 -0.0176 0.0246 319 LEU d CD2 ? ? 1 +40785 N N A LEU X 309 0.2468 0.7442 0.8027 0.0001 -0.0152 0.0249 320 LEU d N ? ? 1 +40786 N N B LEU X 309 0.2402 0.7376 0.7961 0.0002 -0.0152 0.0249 320 LEU d N ? ? 1 +40787 C CA A LEU X 309 0.2594 0.7443 0.8052 0.0037 -0.0144 0.0247 320 LEU d CA ? ? 1 +40788 C CA B LEU X 309 0.2527 0.7375 0.7985 0.0037 -0.0144 0.0247 320 LEU d CA ? ? 1 +40789 C C A LEU X 309 0.2688 0.7450 0.8075 0.0026 -0.0137 0.0227 320 LEU d C ? ? 1 +40790 C C B LEU X 309 0.2620 0.7381 0.8006 0.0025 -0.0137 0.0227 320 LEU d C ? ? 1 +40791 O O A LEU X 309 0.2801 0.7436 0.8098 0.0014 -0.0128 0.0221 320 LEU d O ? ? 1 +40792 O O B LEU X 309 0.2730 0.7365 0.8029 0.0012 -0.0128 0.0221 320 LEU d O ? ? 1 +40793 C CB A LEU X 309 0.2589 0.7469 0.8054 0.0112 -0.0148 0.0256 320 LEU d CB ? ? 1 +40794 C CB B LEU X 309 0.2524 0.7401 0.7987 0.0112 -0.0148 0.0256 320 LEU d CB ? ? 1 +40795 C CG A LEU X 309 0.2533 0.7461 0.8038 0.0130 -0.0157 0.0274 320 LEU d CG ? ? 1 +40796 C CG B LEU X 309 0.2463 0.7393 0.7971 0.0129 -0.0157 0.0274 320 LEU d CG ? ? 1 +40797 C CD1 A LEU X 309 0.2507 0.7498 0.8045 0.0200 -0.0165 0.0278 320 LEU d CD1 ? ? 1 +40798 C CD1 B LEU X 309 0.2438 0.7431 0.7978 0.0199 -0.0165 0.0278 320 LEU d CD1 ? ? 1 +40799 C CD2 A LEU X 309 0.2634 0.7439 0.8053 0.0125 -0.0153 0.0281 320 LEU d CD2 ? ? 1 +40800 C CD2 B LEU X 309 0.2558 0.7372 0.7984 0.0124 -0.0154 0.0282 320 LEU d CD2 ? ? 1 +40801 N N A LEU X 310 0.2647 0.7474 0.8070 0.0027 -0.0140 0.0216 321 LEU d N ? ? 1 +40802 N N B LEU X 310 0.2578 0.7404 0.8001 0.0027 -0.0140 0.0217 321 LEU d N ? ? 1 +40803 C CA A LEU X 310 0.2734 0.7489 0.8095 0.0012 -0.0135 0.0195 321 LEU d CA ? ? 1 +40804 C CA B LEU X 310 0.2663 0.7419 0.8025 0.0012 -0.0136 0.0196 321 LEU d CA ? ? 1 +40805 C C A LEU X 310 0.2764 0.7472 0.8110 -0.0061 -0.0137 0.0184 321 LEU d C ? ? 1 +40806 C C B LEU X 310 0.2693 0.7401 0.8039 -0.0061 -0.0137 0.0184 321 LEU d C ? ? 1 +40807 O O A LEU X 310 0.2877 0.7470 0.8139 -0.0077 -0.0131 0.0168 321 LEU d O ? ? 1 +40808 O O B LEU X 310 0.2805 0.7399 0.8068 -0.0076 -0.0131 0.0168 321 LEU d O ? ? 1 +40809 C CB A LEU X 310 0.2670 0.7516 0.8080 0.0026 -0.0139 0.0188 321 LEU d CB ? ? 1 +40810 C CB B LEU X 310 0.2597 0.7446 0.8009 0.0025 -0.0139 0.0189 321 LEU d CB ? ? 1 +40811 C CG A LEU X 310 0.2648 0.7549 0.8080 0.0096 -0.0134 0.0197 321 LEU d CG ? ? 1 +40812 C CG B LEU X 310 0.2575 0.7479 0.8009 0.0094 -0.0134 0.0196 321 LEU d CG ? ? 1 +40813 C CD1 A LEU X 310 0.2597 0.7577 0.8069 0.0103 -0.0132 0.0190 321 LEU d CD1 ? ? 1 +40814 C CD1 B LEU X 310 0.2514 0.7504 0.7995 0.0097 -0.0133 0.0190 321 LEU d CD1 ? ? 1 +40815 C CD2 A LEU X 310 0.2772 0.7563 0.8112 0.0149 -0.0124 0.0192 321 LEU d CD2 ? ? 1 +40816 C CD2 B LEU X 310 0.2698 0.7496 0.8041 0.0148 -0.0124 0.0190 321 LEU d CD2 ? ? 1 +40817 N N A ASN X 311 0.2668 0.7465 0.8096 -0.0106 -0.0144 0.0189 322 ASN d N ? ? 1 +40818 N N B ASN X 311 0.2597 0.7392 0.8024 -0.0107 -0.0144 0.0189 322 ASN d N ? ? 1 +40819 C CA A ASN X 311 0.2691 0.7461 0.8121 -0.0177 -0.0145 0.0177 322 ASN d CA ? ? 1 +40820 C CA B ASN X 311 0.2621 0.7389 0.8049 -0.0178 -0.0145 0.0177 322 ASN d CA ? ? 1 +40821 C C A ASN X 311 0.2808 0.7456 0.8164 -0.0194 -0.0131 0.0180 322 ASN d C ? ? 1 +40822 C C B ASN X 311 0.2741 0.7388 0.8097 -0.0196 -0.0131 0.0179 322 ASN d C ? ? 1 +40823 O O A ASN X 311 0.2893 0.7455 0.8198 -0.0237 -0.0126 0.0162 322 ASN d O ? ? 1 +40824 O O B ASN X 311 0.2824 0.7390 0.8132 -0.0241 -0.0126 0.0161 322 ASN d O ? ? 1 +40825 C CB A ASN X 311 0.2555 0.7444 0.8088 -0.0213 -0.0155 0.0185 322 ASN d CB ? ? 1 +40826 C CB B ASN X 311 0.2480 0.7369 0.8013 -0.0215 -0.0155 0.0184 322 ASN d CB ? ? 1 +40827 C CG A ASN X 311 0.2461 0.7457 0.8059 -0.0210 -0.0168 0.0181 322 ASN d CG ? ? 1 +40828 C CG B ASN X 311 0.2383 0.7379 0.7981 -0.0210 -0.0169 0.0180 322 ASN d CG ? ? 1 +40829 O OD1 A ASN X 311 0.2491 0.7470 0.8056 -0.0193 -0.0171 0.0168 322 ASN d OD1 ? ? 1 +40830 O OD1 B ASN X 311 0.2411 0.7390 0.7976 -0.0194 -0.0172 0.0167 322 ASN d OD1 ? ? 1 +40831 N ND2 A ASN X 311 0.2351 0.7454 0.8038 -0.0228 -0.0176 0.0191 322 ASN d ND2 ? ? 1 +40832 N ND2 B ASN X 311 0.2273 0.7377 0.7959 -0.0224 -0.0176 0.0192 322 ASN d ND2 ? ? 1 +40833 N N A GLU X 312 0.2818 0.7457 0.8168 -0.0159 -0.0126 0.0201 323 GLU d N ? ? 1 +40834 N N B GLU X 312 0.2759 0.7395 0.8107 -0.0162 -0.0125 0.0200 323 GLU d N ? ? 1 +40835 C CA A GLU X 312 0.2932 0.7453 0.8205 -0.0168 -0.0111 0.0207 323 GLU d CA ? ? 1 +40836 C CA B GLU X 312 0.2878 0.7394 0.8149 -0.0172 -0.0111 0.0206 323 GLU d CA ? ? 1 +40837 C C A GLU X 312 0.3083 0.7460 0.8240 -0.0144 -0.0102 0.0196 323 GLU d C ? ? 1 +40838 C C B GLU X 312 0.3034 0.7405 0.8188 -0.0149 -0.0101 0.0194 323 GLU d C ? ? 1 +40839 O O A GLU X 312 0.3207 0.7466 0.8291 -0.0178 -0.0088 0.0190 323 GLU d O ? ? 1 +40840 O O B GLU X 312 0.3158 0.7414 0.8242 -0.0185 -0.0087 0.0188 323 GLU d O ? ? 1 +40841 C CB A GLU X 312 0.2909 0.7456 0.8196 -0.0125 -0.0112 0.0232 323 GLU d CB ? ? 1 +40842 C CB B GLU X 312 0.2858 0.7397 0.8140 -0.0129 -0.0111 0.0231 323 GLU d CB ? ? 1 +40843 C CG A GLU X 312 0.2785 0.7455 0.8176 -0.0154 -0.0118 0.0243 323 GLU d CG ? ? 1 +40844 C CG B GLU X 312 0.2738 0.7397 0.8122 -0.0159 -0.0117 0.0242 323 GLU d CG ? ? 1 +40845 C CD A GLU X 312 0.2732 0.7466 0.8160 -0.0104 -0.0127 0.0263 323 GLU d CD ? ? 1 +40846 C CD B GLU X 312 0.2684 0.7412 0.8108 -0.0108 -0.0126 0.0262 323 GLU d CD ? ? 1 +40847 O OE1 A GLU X 312 0.2804 0.7477 0.8171 -0.0048 -0.0127 0.0271 323 GLU d OE1 ? ? 1 +40848 O OE1 B GLU X 312 0.2751 0.7421 0.8117 -0.0051 -0.0126 0.0270 323 GLU d OE1 ? ? 1 +40849 O OE2 A GLU X 312 0.2629 0.7477 0.8148 -0.0121 -0.0135 0.0271 323 GLU d OE2 ? ? 1 +40850 O OE2 B GLU X 312 0.2582 0.7425 0.8098 -0.0125 -0.0134 0.0269 323 GLU d OE2 ? ? 1 +40851 N N A GLY X 313 0.3087 0.7474 0.8227 -0.0087 -0.0108 0.0192 324 GLY d N ? ? 1 +40852 N N B GLY X 313 0.3046 0.7422 0.8180 -0.0090 -0.0107 0.0191 324 GLY d N ? ? 1 +40853 C CA A GLY X 313 0.3219 0.7476 0.8252 -0.0062 -0.0100 0.0178 324 GLY d CA ? ? 1 +40854 C CA B GLY X 313 0.3180 0.7426 0.8207 -0.0067 -0.0099 0.0177 324 GLY d CA ? ? 1 +40855 C C A GLY X 313 0.3265 0.7470 0.8269 -0.0121 -0.0098 0.0152 324 GLY d C ? ? 1 +40856 C C B GLY X 313 0.3223 0.7425 0.8227 -0.0128 -0.0098 0.0151 324 GLY d C ? ? 1 +40857 O O A GLY X 313 0.3402 0.7471 0.8313 -0.0139 -0.0086 0.0141 324 GLY d O ? ? 1 +40858 O O B GLY X 313 0.3355 0.7424 0.8271 -0.0152 -0.0086 0.0140 324 GLY d O ? ? 1 +40859 N N A ILE X 314 0.3161 0.7474 0.8244 -0.0150 -0.0111 0.0141 325 ILE d N ? ? 1 +40860 N N B ILE X 314 0.3121 0.7433 0.8203 -0.0152 -0.0111 0.0140 325 ILE d N ? ? 1 +40861 C CA A ILE X 314 0.3198 0.7480 0.8265 -0.0207 -0.0115 0.0115 325 ILE d CA ? ? 1 +40862 C CA B ILE X 314 0.3160 0.7444 0.8229 -0.0209 -0.0116 0.0114 325 ILE d CA ? ? 1 +40863 C C A ILE X 314 0.3250 0.7463 0.8299 -0.0276 -0.0105 0.0109 325 ILE d C ? ? 1 +40864 C C B ILE X 314 0.3219 0.7432 0.8268 -0.0278 -0.0106 0.0107 325 ILE d C ? ? 1 +40865 O O A ILE X 314 0.3375 0.7474 0.8348 -0.0306 -0.0098 0.0089 325 ILE d O ? ? 1 +40866 O O B ILE X 314 0.3344 0.7445 0.8318 -0.0308 -0.0099 0.0087 325 ILE d O ? ? 1 +40867 C CB A ILE X 314 0.3067 0.7488 0.8231 -0.0226 -0.0134 0.0108 325 ILE d CB ? ? 1 +40868 C CB B ILE X 314 0.3029 0.7452 0.8194 -0.0228 -0.0134 0.0107 325 ILE d CB ? ? 1 +40869 C CG1 A ILE X 314 0.3036 0.7504 0.8201 -0.0165 -0.0139 0.0108 325 ILE d CG1 ? ? 1 +40870 C CG1 B ILE X 314 0.3001 0.7466 0.8163 -0.0167 -0.0139 0.0107 325 ILE d CG1 ? ? 1 +40871 C CG2 A ILE X 314 0.3102 0.7503 0.8263 -0.0294 -0.0143 0.0080 325 ILE d CG2 ? ? 1 +40872 C CG2 B ILE X 314 0.3060 0.7466 0.8226 -0.0297 -0.0144 0.0079 325 ILE d CG2 ? ? 1 +40873 C CD1 A ILE X 314 0.2909 0.7513 0.8165 -0.0175 -0.0154 0.0108 325 ILE d CD1 ? ? 1 +40874 C CD1 B ILE X 314 0.2876 0.7476 0.8127 -0.0175 -0.0154 0.0106 325 ILE d CD1 ? ? 1 +40875 N N A ARG X 315 0.3165 0.7445 0.8283 -0.0303 -0.0103 0.0125 326 ARG d N ? ? 1 +40876 N N B ARG X 315 0.3139 0.7418 0.8256 -0.0304 -0.0103 0.0124 326 ARG d N ? ? 1 +40877 C CA A ARG X 315 0.3198 0.7431 0.8313 -0.0372 -0.0090 0.0119 326 ARG d CA ? ? 1 +40878 C CA B ARG X 315 0.3176 0.7407 0.8290 -0.0373 -0.0090 0.0118 326 ARG d CA ? ? 1 +40879 C C A ARG X 315 0.3360 0.7422 0.8356 -0.0372 -0.0067 0.0120 326 ARG d C ? ? 1 +40880 C C B ARG X 315 0.3349 0.7410 0.8344 -0.0372 -0.0067 0.0120 326 ARG d C ? ? 1 +40881 O O A ARG X 315 0.3455 0.7430 0.8407 -0.0427 -0.0057 0.0100 326 ARG d O ? ? 1 +40882 O O B ARG X 315 0.3445 0.7418 0.8396 -0.0428 -0.0056 0.0101 326 ARG d O ? ? 1 +40883 C CB A ARG X 315 0.3080 0.7414 0.8284 -0.0391 -0.0089 0.0138 326 ARG d CB ? ? 1 +40884 C CB B ARG X 315 0.3050 0.7382 0.8253 -0.0390 -0.0089 0.0138 326 ARG d CB ? ? 1 +40885 C CG A ARG X 315 0.2935 0.7423 0.8256 -0.0413 -0.0109 0.0133 326 ARG d CG ? ? 1 +40886 C CG B ARG X 315 0.2899 0.7385 0.8219 -0.0414 -0.0109 0.0132 326 ARG d CG ? ? 1 +40887 C CD A ARG X 315 0.2844 0.7414 0.8247 -0.0447 -0.0105 0.0146 326 ARG d CD ? ? 1 +40888 C CD B ARG X 315 0.2815 0.7375 0.8212 -0.0453 -0.0103 0.0144 326 ARG d CD ? ? 1 +40889 N NE A ARG X 315 0.2820 0.7397 0.8218 -0.0400 -0.0098 0.0175 326 ARG d NE ? ? 1 +40890 N NE B ARG X 315 0.2772 0.7351 0.8175 -0.0408 -0.0097 0.0173 326 ARG d NE ? ? 1 +40891 C CZ A ARG X 315 0.2693 0.7385 0.8165 -0.0366 -0.0111 0.0191 326 ARG d CZ ? ? 1 +40892 C CZ B ARG X 315 0.2646 0.7339 0.8119 -0.0371 -0.0111 0.0188 326 ARG d CZ ? ? 1 +40893 N NH1 A ARG X 315 0.2600 0.7395 0.8137 -0.0357 -0.0130 0.0184 326 ARG d NH1 ? ? 1 +40894 N NH1 B ARG X 315 0.2557 0.7348 0.8092 -0.0364 -0.0130 0.0180 326 ARG d NH1 ? ? 1 +40895 N NH2 A ARG X 315 0.2670 0.7369 0.8145 -0.0340 -0.0104 0.0214 326 ARG d NH2 ? ? 1 +40896 N NH2 B ARG X 315 0.2616 0.7323 0.8096 -0.0341 -0.0106 0.0212 326 ARG d NH2 ? ? 1 +40897 N N . ALA X 316 0.3390 0.7406 0.8335 -0.0308 -0.0061 0.0143 327 ALA d N ? ? 1 +40898 C CA . ALA X 316 0.3548 0.7399 0.8376 -0.0300 -0.0039 0.0149 327 ALA d CA ? ? 1 +40899 C CB . ALA X 316 0.3561 0.7401 0.8360 -0.0227 -0.0038 0.0178 327 ALA d CB ? ? 1 +40900 C C . ALA X 316 0.3687 0.7407 0.8410 -0.0291 -0.0035 0.0129 327 ALA d C ? ? 1 +40901 O O . ALA X 316 0.3831 0.7409 0.8465 -0.0321 -0.0015 0.0122 327 ALA d O ? ? 1 +40902 N N A TRP X 317 0.3659 0.7424 0.8392 -0.0247 -0.0051 0.0119 328 TRP d N ? ? 1 +40903 N N B TRP X 317 0.3657 0.7423 0.8391 -0.0249 -0.0051 0.0118 328 TRP d N ? ? 1 +40904 C CA A TRP X 317 0.3795 0.7441 0.8427 -0.0225 -0.0048 0.0100 328 TRP d CA ? ? 1 +40905 C CA B TRP X 317 0.3796 0.7440 0.8427 -0.0227 -0.0047 0.0099 328 TRP d CA ? ? 1 +40906 C C A TRP X 317 0.3833 0.7457 0.8461 -0.0291 -0.0053 0.0067 328 TRP d C ? ? 1 +40907 C C B TRP X 317 0.3834 0.7454 0.8463 -0.0296 -0.0051 0.0067 328 TRP d C ? ? 1 +40908 O O A TRP X 317 0.3981 0.7469 0.8510 -0.0299 -0.0044 0.0048 328 TRP d O ? ? 1 +40909 O O B TRP X 317 0.3989 0.7467 0.8517 -0.0311 -0.0041 0.0049 328 TRP d O ? ? 1 +40910 C CB A TRP X 317 0.3759 0.7455 0.8393 -0.0140 -0.0060 0.0104 328 TRP d CB ? ? 1 +40911 C CB B TRP X 317 0.3762 0.7452 0.8392 -0.0143 -0.0059 0.0103 328 TRP d CB ? ? 1 +40912 C CG A TRP X 317 0.3790 0.7451 0.8384 -0.0066 -0.0054 0.0129 328 TRP d CG ? ? 1 +40913 C CG B TRP X 317 0.3789 0.7448 0.8382 -0.0069 -0.0054 0.0129 328 TRP d CG ? ? 1 +40914 C CD1 A TRP X 317 0.3697 0.7442 0.8353 -0.0044 -0.0058 0.0155 328 TRP d CD1 ? ? 1 +40915 C CD1 B TRP X 317 0.3696 0.7439 0.8353 -0.0049 -0.0057 0.0154 328 TRP d CD1 ? ? 1 +40916 C CD2 A TRP X 317 0.3933 0.7462 0.8413 -0.0004 -0.0046 0.0129 328 TRP d CD2 ? ? 1 +40917 C CD2 B TRP X 317 0.3931 0.7460 0.8411 -0.0006 -0.0046 0.0130 328 TRP d CD2 ? ? 1 +40918 N NE1 A TRP X 317 0.3770 0.7448 0.8360 0.0029 -0.0055 0.0170 328 TRP d NE1 ? ? 1 +40919 N NE1 B TRP X 317 0.3765 0.7445 0.8358 0.0024 -0.0054 0.0170 328 TRP d NE1 ? ? 1 +40920 C CE2 A TRP X 317 0.3916 0.7461 0.8397 0.0056 -0.0047 0.0155 328 TRP d CE2 ? ? 1 +40921 C CE2 B TRP X 317 0.3909 0.7457 0.8394 0.0054 -0.0047 0.0156 328 TRP d CE2 ? ? 1 +40922 C CE3 A TRP X 317 0.4079 0.7475 0.8452 0.0009 -0.0038 0.0109 328 TRP d CE3 ? ? 1 +40923 C CE3 B TRP X 317 0.4077 0.7475 0.8451 0.0010 -0.0038 0.0110 328 TRP d CE3 ? ? 1 +40924 C CZ2 A TRP X 317 0.4039 0.7475 0.8422 0.0131 -0.0042 0.0162 328 TRP d CZ2 ? ? 1 +40925 C CZ2 B TRP X 317 0.4028 0.7472 0.8417 0.0129 -0.0043 0.0163 328 TRP d CZ2 ? ? 1 +40926 C CZ3 A TRP X 317 0.4199 0.7485 0.8473 0.0082 -0.0031 0.0116 328 TRP d CZ3 ? ? 1 +40927 C CZ3 B TRP X 317 0.4194 0.7485 0.8472 0.0084 -0.0032 0.0117 328 TRP d CZ3 ? ? 1 +40928 C CH2 A TRP X 317 0.4179 0.7487 0.8460 0.0143 -0.0034 0.0142 328 TRP d CH2 ? ? 1 +40929 C CH2 B TRP X 317 0.4170 0.7486 0.8457 0.0144 -0.0034 0.0144 328 TRP d CH2 ? ? 1 +40930 N N . MET X 318 0.3712 0.7468 0.8448 -0.0339 -0.0068 0.0058 329 MET d N ? ? 1 +40931 C CA . MET X 318 0.3752 0.7502 0.8496 -0.0404 -0.0077 0.0025 329 MET d CA ? ? 1 +40932 C CB . MET X 318 0.3629 0.7532 0.8468 -0.0399 -0.0104 0.0016 329 MET d CB ? ? 1 +40933 C CG . MET X 318 0.3511 0.7542 0.8467 -0.0455 -0.0115 0.0016 329 MET d CG ? ? 1 +40934 S SD . MET X 318 0.3405 0.7593 0.8452 -0.0448 -0.0147 0.0004 329 MET d SD ? ? 1 +40935 C CE . MET X 318 0.3531 0.7629 0.8507 -0.0484 -0.0159 -0.0037 329 MET d CE ? ? 1 +40936 C C . MET X 318 0.3776 0.7494 0.8538 -0.0491 -0.0066 0.0013 329 MET d C ? ? 1 +40937 O O . MET X 318 0.3859 0.7519 0.8592 -0.0543 -0.0068 -0.0017 329 MET d O ? ? 1 +40938 N N . ALA X 319 0.3729 0.7474 0.8530 -0.0508 -0.0051 0.0035 330 ALA d N ? ? 1 +40939 C CA . ALA X 319 0.3724 0.7484 0.8574 -0.0593 -0.0041 0.0024 330 ALA d CA ? ? 1 +40940 C CB . ALA X 319 0.3635 0.7460 0.8544 -0.0594 -0.0028 0.0054 330 ALA d CB ? ? 1 +40941 C C . ALA X 319 0.3899 0.7495 0.8654 -0.0646 -0.0018 0.0005 330 ALA d C ? ? 1 +40942 O O . ALA X 319 0.3909 0.7516 0.8701 -0.0721 -0.0019 -0.0023 330 ALA d O ? ? 1 +40943 N N . PRO X 320 0.4037 0.7475 0.8667 -0.0611 0.0004 0.0017 331 PRO d N ? ? 1 +40944 C CA . PRO X 320 0.4203 0.7474 0.8736 -0.0663 0.0029 0.0000 331 PRO d CA ? ? 1 +40945 C CB . PRO X 320 0.4321 0.7443 0.8724 -0.0595 0.0048 0.0024 331 PRO d CB ? ? 1 +40946 C CG . PRO X 320 0.4198 0.7428 0.8656 -0.0528 0.0038 0.0058 331 PRO d CG ? ? 1 +40947 C CD . PRO X 320 0.4034 0.7445 0.8614 -0.0522 0.0007 0.0049 331 PRO d CD ? ? 1 +40948 C C . PRO X 320 0.4270 0.7501 0.8778 -0.0701 0.0015 -0.0041 331 PRO d C ? ? 1 +40949 O O . PRO X 320 0.4329 0.7521 0.8843 -0.0781 0.0025 -0.0066 331 PRO d O ? ? 1 +40950 N N A GLN X 321 0.4267 0.7510 0.8750 -0.0643 -0.0008 -0.0048 332 GLN d N ? ? 1 +40951 N N B GLN X 321 0.4251 0.7496 0.8735 -0.0642 -0.0008 -0.0047 332 GLN d N ? ? 1 +40952 C CA A GLN X 321 0.4336 0.7539 0.8788 -0.0671 -0.0024 -0.0087 332 GLN d CA ? ? 1 +40953 C CA B GLN X 321 0.4309 0.7515 0.8760 -0.0666 -0.0025 -0.0085 332 GLN d CA ? ? 1 +40954 C C A GLN X 321 0.4200 0.7558 0.8774 -0.0721 -0.0054 -0.0110 332 GLN d C ? ? 1 +40955 C C B GLN X 321 0.4189 0.7546 0.8762 -0.0720 -0.0053 -0.0110 332 GLN d C ? ? 1 +40956 O O A GLN X 321 0.4257 0.7586 0.8821 -0.0773 -0.0065 -0.0147 332 GLN d O ? ? 1 +40957 O O B GLN X 321 0.4250 0.7573 0.8811 -0.0774 -0.0064 -0.0146 332 GLN d O ? ? 1 +40958 C CB A GLN X 321 0.4399 0.7546 0.8767 -0.0589 -0.0035 -0.0087 332 GLN d CB ? ? 1 +40959 C CB B GLN X 321 0.4331 0.7505 0.8714 -0.0580 -0.0038 -0.0083 332 GLN d CB ? ? 1 +40960 C CG A GLN X 321 0.4575 0.7537 0.8802 -0.0547 -0.0008 -0.0074 332 GLN d CG ? ? 1 +40961 C CG B GLN X 321 0.4456 0.7477 0.8714 -0.0520 -0.0014 -0.0062 332 GLN d CG ? ? 1 +40962 C CD A GLN X 321 0.4679 0.7561 0.8811 -0.0481 -0.0016 -0.0085 332 GLN d CD ? ? 1 +40963 C CD B GLN X 321 0.4363 0.7442 0.8652 -0.0461 -0.0006 -0.0021 332 GLN d CD ? ? 1 +40964 O OE1 A GLN X 321 0.4663 0.7599 0.8817 -0.0480 -0.0039 -0.0108 332 GLN d OE1 ? ? 1 +40965 O OE1 B GLN X 321 0.4195 0.7431 0.8599 -0.0459 -0.0019 -0.0007 332 GLN d OE1 ? ? 1 +40966 N NE2 A GLN X 321 0.4801 0.7546 0.8821 -0.0424 0.0003 -0.0068 332 GLN d NE2 ? ? 1 +40967 N NE2 B GLN X 321 0.4475 0.7421 0.8658 -0.0410 0.0013 -0.0003 332 GLN d NE2 ? ? 1 +40968 N N . ASP X 322 0.4023 0.7545 0.8710 -0.0703 -0.0067 -0.0091 333 ASP d N ? ? 1 +40969 C CA . ASP X 322 0.3904 0.7578 0.8705 -0.0737 -0.0097 -0.0110 333 ASP d CA ? ? 1 +40970 C CB . ASP X 322 0.3739 0.7557 0.8617 -0.0676 -0.0113 -0.0083 333 ASP d CB ? ? 1 +40971 C CG . ASP X 322 0.3613 0.7583 0.8596 -0.0696 -0.0147 -0.0099 333 ASP d CG ? ? 1 +40972 O OD1 . ASP X 322 0.3651 0.7607 0.8607 -0.0702 -0.0169 -0.0128 333 ASP d OD1 ? ? 1 +40973 O OD2 . ASP X 322 0.3484 0.7581 0.8569 -0.0702 -0.0152 -0.0083 333 ASP d OD2 ? ? 1 +40974 C C . ASP X 322 0.3889 0.7620 0.8777 -0.0824 -0.0092 -0.0122 333 ASP d C ? ? 1 +40975 O O . ASP X 322 0.3833 0.7655 0.8798 -0.0869 -0.0117 -0.0150 333 ASP d O ? ? 1 +40976 N N . GLN X 323 0.3930 0.7608 0.8805 -0.0844 -0.0058 -0.0102 334 GLN d N ? ? 1 +40977 C CA . GLN X 323 0.3911 0.7625 0.8857 -0.0924 -0.0042 -0.0111 334 GLN d CA ? ? 1 +40978 C CB . GLN X 323 0.3775 0.7606 0.8808 -0.0905 -0.0035 -0.0077 334 GLN d CB ? ? 1 +40979 C CG . GLN X 323 0.3613 0.7609 0.8740 -0.0860 -0.0070 -0.0068 334 GLN d CG ? ? 1 +40980 C CD . GLN X 323 0.3487 0.7589 0.8695 -0.0844 -0.0062 -0.0037 334 GLN d CD ? ? 1 +40981 O OE1 . GLN X 323 0.3481 0.7607 0.8739 -0.0897 -0.0043 -0.0037 334 GLN d OE1 ? ? 1 +40982 N NE2 . GLN X 323 0.3409 0.7575 0.8631 -0.0772 -0.0075 -0.0011 334 GLN d NE2 ? ? 1 +40983 C C . GLN X 323 0.4088 0.7627 0.8934 -0.0966 -0.0003 -0.0115 334 GLN d C ? ? 1 +40984 O O . GLN X 323 0.4106 0.7604 0.8936 -0.0971 0.0029 -0.0090 334 GLN d O ? ? 1 +40985 N N . PRO X 324 0.4247 0.7668 0.9014 -0.0997 -0.0004 -0.0147 335 PRO d N ? ? 1 +40986 C CA . PRO X 324 0.4443 0.7675 0.9093 -0.1028 0.0034 -0.0149 335 PRO d CA ? ? 1 +40987 C CB . PRO X 324 0.4564 0.7706 0.9147 -0.1050 0.0018 -0.0189 335 PRO d CB ? ? 1 +40988 C CG . PRO X 324 0.4435 0.7741 0.9131 -0.1064 -0.0026 -0.0216 335 PRO d CG ? ? 1 +40989 C CD . PRO X 324 0.4252 0.7709 0.9031 -0.1003 -0.0042 -0.0183 335 PRO d CD ? ? 1 +40990 C C . PRO X 324 0.4493 0.7716 0.9186 -0.1112 0.0069 -0.0152 335 PRO d C ? ? 1 +40991 O O . PRO X 324 0.4620 0.7702 0.9222 -0.1121 0.0109 -0.0136 335 PRO d O ? ? 1 +40992 N N . HIS X 325 0.4407 0.7779 0.9235 -0.1170 0.0054 -0.0173 336 HIS d N ? ? 1 +40993 C CA . HIS X 325 0.4425 0.7815 0.9315 -0.1254 0.0086 -0.0180 336 HIS d CA ? ? 1 +40994 C CB . HIS X 325 0.4279 0.7849 0.9324 -0.1306 0.0057 -0.0210 336 HIS d CB ? ? 1 +40995 C CG . HIS X 325 0.4078 0.7820 0.9217 -0.1246 0.0021 -0.0191 336 HIS d CG ? ? 1 +40996 N ND1 . HIS X 325 0.4019 0.7806 0.9151 -0.1189 -0.0021 -0.0197 336 HIS d ND1 ? ? 1 +40997 C CE1 . HIS X 325 0.3854 0.7793 0.9079 -0.1149 -0.0041 -0.0176 336 HIS d CE1 ? ? 1 +40998 N NE2 . HIS X 325 0.3797 0.7788 0.9086 -0.1175 -0.0014 -0.0158 336 HIS d NE2 ? ? 1 +40999 C CD2 . HIS X 325 0.3935 0.7804 0.9171 -0.1237 0.0026 -0.0167 336 HIS d CD2 ? ? 1 +41000 C C . HIS X 325 0.4398 0.7801 0.9297 -0.1231 0.0118 -0.0137 336 HIS d C ? ? 1 +41001 O O . HIS X 325 0.4443 0.7817 0.9358 -0.1294 0.0156 -0.0137 336 HIS d O ? ? 1 +41002 N N . GLU X 326 0.4339 0.7792 0.9232 -0.1143 0.0103 -0.0102 337 GLU d N ? ? 1 +41003 C CA . GLU X 326 0.4316 0.7777 0.9208 -0.1112 0.0128 -0.0061 337 GLU d CA ? ? 1 +41004 C CB . GLU X 326 0.4176 0.7769 0.9124 -0.1029 0.0095 -0.0035 337 GLU d CB ? ? 1 +41005 C CG . GLU X 326 0.4017 0.7812 0.9122 -0.1050 0.0066 -0.0047 337 GLU d CG ? ? 1 +41006 C CD . GLU X 326 0.3962 0.7842 0.9155 -0.1087 0.0089 -0.0034 337 GLU d CD ? ? 1 +41007 O OE1 . GLU X 326 0.4067 0.7848 0.9199 -0.1104 0.0130 -0.0016 337 GLU d OE1 ? ? 1 +41008 O OE2 . GLU X 326 0.3853 0.7897 0.9171 -0.1096 0.0065 -0.0040 337 GLU d OE2 ? ? 1 +41009 C C . GLU X 326 0.4487 0.7752 0.9226 -0.1085 0.0164 -0.0037 337 GLU d C ? ? 1 +41010 O O . GLU X 326 0.4488 0.7728 0.9206 -0.1072 0.0192 -0.0006 337 GLU d O ? ? 1 +41011 N N . ASN X 327 0.4656 0.7778 0.9282 -0.1074 0.0163 -0.0052 338 ASN d N ? ? 1 +41012 C CA . ASN X 327 0.4862 0.7785 0.9331 -0.1044 0.0195 -0.0031 338 ASN d CA ? ? 1 +41013 C CB . ASN X 327 0.5062 0.7874 0.9490 -0.1126 0.0245 -0.0035 338 ASN d CB ? ? 1 +41014 C CG . ASN X 327 0.5264 0.8009 0.9681 -0.1209 0.0252 -0.0079 338 ASN d CG ? ? 1 +41015 O OD1 . ASN X 327 0.5464 0.8106 0.9794 -0.1190 0.0239 -0.0096 338 ASN d OD1 ? ? 1 +41016 N ND2 . ASN X 327 0.5288 0.8088 0.9793 -0.1304 0.0273 -0.0100 338 ASN d ND2 ? ? 1 +41017 C C . ASN X 327 0.4762 0.7691 0.9196 -0.0953 0.0194 0.0014 338 ASN d C ? ? 1 +41018 O O . ASN X 327 0.4853 0.7674 0.9207 -0.0945 0.0228 0.0040 338 ASN d O ? ? 1 +41019 N N . PHE X 328 0.4577 0.7630 0.9069 -0.0884 0.0155 0.0022 339 PHE d N ? ? 1 +41020 C CA . PHE X 328 0.4498 0.7566 0.8964 -0.0796 0.0149 0.0060 339 PHE d CA ? ? 1 +41021 C CB . PHE X 328 0.4299 0.7536 0.8861 -0.0739 0.0107 0.0063 339 PHE d CB ? ? 1 +41022 C CG . PHE X 328 0.4096 0.7522 0.8814 -0.0780 0.0093 0.0057 339 PHE d CG ? ? 1 +41023 C CD1 . PHE X 328 0.4026 0.7498 0.8793 -0.0807 0.0114 0.0076 339 PHE d CD1 ? ? 1 +41024 C CD2 . PHE X 328 0.3971 0.7526 0.8780 -0.0787 0.0059 0.0035 339 PHE d CD2 ? ? 1 +41025 C CE1 . PHE X 328 0.3861 0.7503 0.8767 -0.0839 0.0101 0.0071 339 PHE d CE1 ? ? 1 +41026 C CE2 . PHE X 328 0.3806 0.7529 0.8752 -0.0819 0.0045 0.0031 339 PHE d CE2 ? ? 1 +41027 C CZ . PHE X 328 0.3753 0.7521 0.8749 -0.0844 0.0066 0.0049 339 PHE d CZ ? ? 1 +41028 C C . PHE X 328 0.4676 0.7553 0.8980 -0.0741 0.0162 0.0071 339 PHE d C ? ? 1 +41029 O O . PHE X 328 0.4768 0.7565 0.9009 -0.0734 0.0153 0.0050 339 PHE d O ? ? 1 +41030 N N . VAL X 329 0.4746 0.7542 0.8978 -0.0707 0.0184 0.0104 340 VAL d N ? ? 1 +41031 C CA . VAL X 329 0.4897 0.7536 0.8984 -0.0632 0.0189 0.0122 340 VAL d CA ? ? 1 +41032 C CB . VAL X 329 0.5103 0.7533 0.9052 -0.0666 0.0233 0.0129 340 VAL d CB ? ? 1 +41033 C CG1 . VAL X 329 0.5256 0.7523 0.9053 -0.0581 0.0233 0.0146 340 VAL d CG1 ? ? 1 +41034 C CG2 . VAL X 329 0.5195 0.7555 0.9134 -0.0764 0.0254 0.0094 340 VAL d CG2 ? ? 1 +41035 C C . VAL X 329 0.4794 0.7515 0.8905 -0.0543 0.0170 0.0155 340 VAL d C ? ? 1 +41036 O O . VAL X 329 0.4765 0.7495 0.8882 -0.0545 0.0185 0.0180 340 VAL d O ? ? 1 +41037 N N . PHE X 330 0.4733 0.7518 0.8862 -0.0470 0.0137 0.0154 341 PHE d N ? ? 1 +41038 C CA . PHE X 330 0.4648 0.7512 0.8802 -0.0383 0.0117 0.0181 341 PHE d CA ? ? 1 +41039 C CB . PHE X 330 0.4470 0.7527 0.8754 -0.0358 0.0081 0.0172 341 PHE d CB ? ? 1 +41040 C CG . PHE X 330 0.4321 0.7540 0.8748 -0.0426 0.0075 0.0162 341 PHE d CG ? ? 1 +41041 C CD1 . PHE X 330 0.4326 0.7542 0.8779 -0.0496 0.0099 0.0166 341 PHE d CD1 ? ? 1 +41042 C CD2 . PHE X 330 0.4183 0.7554 0.8715 -0.0419 0.0046 0.0148 341 PHE d CD2 ? ? 1 +41043 C CE1 . PHE X 330 0.4176 0.7544 0.8763 -0.0555 0.0092 0.0155 341 PHE d CE1 ? ? 1 +41044 C CE2 . PHE X 330 0.4045 0.7561 0.8704 -0.0478 0.0039 0.0139 341 PHE d CE2 ? ? 1 +41045 C CZ . PHE X 330 0.4041 0.7555 0.8728 -0.0544 0.0061 0.0141 341 PHE d CZ ? ? 1 +41046 C C . PHE X 330 0.4791 0.7506 0.8806 -0.0301 0.0117 0.0193 341 PHE d C ? ? 1 +41047 O O . PHE X 330 0.4815 0.7509 0.8801 -0.0262 0.0102 0.0178 341 PHE d O ? ? 1 +41048 N N . PRO X 331 0.4917 0.7518 0.8836 -0.0269 0.0134 0.0219 342 PRO d N ? ? 1 +41049 C CA . PRO X 331 0.5060 0.7526 0.8850 -0.0181 0.0130 0.0232 342 PRO d CA ? ? 1 +41050 C CB . PRO X 331 0.5141 0.7522 0.8857 -0.0164 0.0147 0.0263 342 PRO d CB ? ? 1 +41051 C CG . PRO X 331 0.5120 0.7515 0.8881 -0.0266 0.0175 0.0260 342 PRO d CG ? ? 1 +41052 C CD . PRO X 331 0.4920 0.7512 0.8845 -0.0313 0.0157 0.0239 342 PRO d CD ? ? 1 +41053 C C . PRO X 331 0.4946 0.7538 0.8798 -0.0093 0.0093 0.0234 342 PRO d C ? ? 1 +41054 O O . PRO X 331 0.4759 0.7535 0.8745 -0.0093 0.0074 0.0237 342 PRO d O ? ? 1 +41055 N N . GLU X 332 0.5079 0.7569 0.8834 -0.0019 0.0086 0.0232 343 GLU d N ? ? 1 +41056 C CA . GLU X 332 0.5004 0.7602 0.8810 0.0069 0.0056 0.0233 343 GLU d CA ? ? 1 +41057 C CB . GLU X 332 0.5225 0.7673 0.8895 0.0153 0.0055 0.0236 343 GLU d CB ? ? 1 +41058 C CG . GLU X 332 0.5407 0.7733 0.8998 0.0129 0.0068 0.0209 343 GLU d CG ? ? 1 +41059 C CD . GLU X 332 0.5646 0.7819 0.9100 0.0215 0.0068 0.0210 343 GLU d CD ? ? 1 +41060 O OE1 . GLU X 332 0.5659 0.7902 0.9137 0.0307 0.0046 0.0219 343 GLU d OE1 ? ? 1 +41061 O OE2 . GLU X 332 0.5878 0.7863 0.9203 0.0189 0.0090 0.0200 343 GLU d OE2 ? ? 1 +41062 C C . GLU X 332 0.4816 0.7556 0.8711 0.0108 0.0037 0.0257 343 GLU d C ? ? 1 +41063 O O . GLU X 332 0.4674 0.7588 0.8693 0.0123 0.0015 0.0253 343 GLU d O ? ? 1 +41064 N N . GLU X 333 0.4843 0.7503 0.8673 0.0118 0.0047 0.0281 344 GLU d N ? ? 1 +41065 C CA . GLU X 333 0.4717 0.7485 0.8608 0.0165 0.0027 0.0303 344 GLU d CA ? ? 1 +41066 C CB . GLU X 333 0.4844 0.7458 0.8608 0.0186 0.0040 0.0327 344 GLU d CB ? ? 1 +41067 C CG . GLU X 333 0.4871 0.7414 0.8607 0.0093 0.0074 0.0333 344 GLU d CG ? ? 1 +41068 C CD . GLU X 333 0.5039 0.7393 0.8621 0.0111 0.0094 0.0355 344 GLU d CD ? ? 1 +41069 O OE1 . GLU X 333 0.5212 0.7388 0.8658 0.0134 0.0108 0.0352 344 GLU d OE1 ? ? 1 +41070 O OE2 . GLU X 333 0.4997 0.7373 0.8586 0.0105 0.0097 0.0375 344 GLU d OE2 ? ? 1 +41071 C C . GLU X 333 0.4533 0.7488 0.8577 0.0111 0.0020 0.0305 344 GLU d C ? ? 1 +41072 O O . GLU X 333 0.4476 0.7540 0.8586 0.0154 -0.0001 0.0320 344 GLU d O ? ? 1 +41073 N N . VAL X 334 0.4469 0.7463 0.8573 0.0020 0.0035 0.0288 345 VAL d N ? ? 1 +41074 C CA . VAL X 334 0.4278 0.7449 0.8527 -0.0029 0.0028 0.0288 345 VAL d CA ? ? 1 +41075 C CB . VAL X 334 0.4294 0.7443 0.8561 -0.0133 0.0056 0.0282 345 VAL d CB ? ? 1 +41076 C CG1 . VAL X 334 0.4465 0.7442 0.8605 -0.0147 0.0086 0.0299 345 VAL d CG1 ? ? 1 +41077 C CG2 . VAL X 334 0.4311 0.7448 0.8594 -0.0196 0.0064 0.0253 345 VAL d CG2 ? ? 1 +41078 C C . VAL X 334 0.4121 0.7446 0.8486 -0.0027 0.0006 0.0269 345 VAL d C ? ? 1 +41079 O O . VAL X 334 0.3973 0.7456 0.8463 -0.0052 -0.0005 0.0270 345 VAL d O ? ? 1 +41080 N N . LEU X 335 0.4168 0.7439 0.8487 -0.0001 0.0003 0.0252 346 LEU d N ? ? 1 +41081 C CA . LEU X 335 0.4022 0.7425 0.8436 0.0004 -0.0015 0.0234 346 LEU d CA ? ? 1 +41082 C CB . LEU X 335 0.4137 0.7440 0.8469 0.0027 -0.0012 0.0214 346 LEU d CB ? ? 1 +41083 C CG . LEU X 335 0.4246 0.7431 0.8514 -0.0049 0.0008 0.0193 346 LEU d CG ? ? 1 +41084 C CD1 . LEU X 335 0.4360 0.7446 0.8544 -0.0019 0.0009 0.0173 346 LEU d CD1 ? ? 1 +41085 C CD2 . LEU X 335 0.4127 0.7431 0.8509 -0.0135 0.0006 0.0178 346 LEU d CD2 ? ? 1 +41086 C C . LEU X 335 0.3869 0.7416 0.8368 0.0072 -0.0039 0.0247 346 LEU d C ? ? 1 +41087 O O . LEU X 335 0.3934 0.7438 0.8379 0.0147 -0.0046 0.0260 346 LEU d O ? ? 1 +41088 N N A PRO X 336 0.3688 0.7407 0.8320 0.0048 -0.0052 0.0245 347 PRO d N ? ? 1 +41089 N N B PRO X 336 0.3681 0.7401 0.8313 0.0050 -0.0053 0.0244 347 PRO d N ? ? 1 +41090 C CA A PRO X 336 0.3557 0.7417 0.8275 0.0109 -0.0074 0.0254 347 PRO d CA ? ? 1 +41091 C CA B PRO X 336 0.3548 0.7407 0.8265 0.0110 -0.0074 0.0254 347 PRO d CA ? ? 1 +41092 C C A PRO X 336 0.3568 0.7432 0.8271 0.0168 -0.0081 0.0241 347 PRO d C ? ? 1 +41093 C C B PRO X 336 0.3556 0.7423 0.8260 0.0170 -0.0081 0.0241 347 PRO d C ? ? 1 +41094 O O A PRO X 336 0.3570 0.7433 0.8275 0.0140 -0.0077 0.0221 347 PRO d O ? ? 1 +41095 O O B PRO X 336 0.3568 0.7422 0.8266 0.0144 -0.0076 0.0221 347 PRO d O ? ? 1 +41096 C CB A PRO X 336 0.3395 0.7411 0.8244 0.0053 -0.0080 0.0252 347 PRO d CB ? ? 1 +41097 C CB B PRO X 336 0.3385 0.7400 0.8233 0.0054 -0.0080 0.0253 347 PRO d CB ? ? 1 +41098 C CG A PRO X 336 0.3431 0.7403 0.8268 -0.0023 -0.0068 0.0232 347 PRO d CG ? ? 1 +41099 C CG B PRO X 336 0.3415 0.7393 0.8255 -0.0020 -0.0069 0.0233 347 PRO d CG ? ? 1 +41100 C CD A PRO X 336 0.3608 0.7396 0.8315 -0.0038 -0.0048 0.0232 347 PRO d CD ? ? 1 +41101 C CD B PRO X 336 0.3600 0.7389 0.8307 -0.0034 -0.0049 0.0230 347 PRO d CD ? ? 1 +41102 N N A ARG X 337 0.3577 0.7446 0.8262 0.0251 -0.0091 0.0251 348 ARG d N ? ? 1 +41103 N N B ARG X 337 0.3554 0.7437 0.8250 0.0252 -0.0092 0.0251 348 ARG d N ? ? 1 +41104 C CA A ARG X 337 0.3581 0.7468 0.8262 0.0316 -0.0097 0.0240 348 ARG d CA ? ? 1 +41105 C CA B ARG X 337 0.3569 0.7458 0.8250 0.0319 -0.0097 0.0240 348 ARG d CA ? ? 1 +41106 C C A ARG X 337 0.3486 0.7490 0.8238 0.0386 -0.0115 0.0252 348 ARG d C ? ? 1 +41107 C C B ARG X 337 0.3468 0.7478 0.8225 0.0386 -0.0115 0.0252 348 ARG d C ? ? 1 +41108 O O A ARG X 337 0.3500 0.7492 0.8241 0.0411 -0.0123 0.0268 348 ARG d O ? ? 1 +41109 O O B ARG X 337 0.3479 0.7481 0.8227 0.0410 -0.0124 0.0269 348 ARG d O ? ? 1 +41110 C CB A ARG X 337 0.3769 0.7478 0.8307 0.0357 -0.0087 0.0234 348 ARG d CB ? ? 1 +41111 C CB B ARG X 337 0.3761 0.7468 0.8297 0.0360 -0.0087 0.0236 348 ARG d CB ? ? 1 +41112 C CG A ARG X 337 0.3884 0.7450 0.8332 0.0291 -0.0068 0.0223 348 ARG d CG ? ? 1 +41113 C CG B ARG X 337 0.3874 0.7443 0.8323 0.0294 -0.0068 0.0224 348 ARG d CG ? ? 1 +41114 C CD A ARG X 337 0.4077 0.7456 0.8377 0.0334 -0.0057 0.0220 348 ARG d CD ? ? 1 +41115 C CD B ARG X 337 0.4068 0.7448 0.8368 0.0335 -0.0058 0.0220 348 ARG d CD ? ? 1 +41116 N NE A ARG X 337 0.4118 0.7484 0.8392 0.0386 -0.0058 0.0203 348 ARG d NE ? ? 1 +41117 N NE B ARG X 337 0.4110 0.7476 0.8383 0.0389 -0.0059 0.0203 348 ARG d NE ? ? 1 +41118 C CZ A ARG X 337 0.4286 0.7490 0.8433 0.0411 -0.0047 0.0192 348 ARG d CZ ? ? 1 +41119 C CZ B ARG X 337 0.4278 0.7482 0.8425 0.0411 -0.0047 0.0192 348 ARG d CZ ? ? 1 +41120 N NH1 A ARG X 337 0.4432 0.7467 0.8463 0.0391 -0.0034 0.0198 348 ARG d NH1 ? ? 1 +41121 N NH1 B ARG X 337 0.4423 0.7458 0.8454 0.0389 -0.0034 0.0197 348 ARG d NH1 ? ? 1 +41122 N NH2 A ARG X 337 0.4317 0.7523 0.8449 0.0458 -0.0047 0.0175 348 ARG d NH2 ? ? 1 +41123 N NH2 B ARG X 337 0.4308 0.7516 0.8442 0.0455 -0.0047 0.0174 348 ARG d NH2 ? ? 1 +41124 N N A GLY X 338 0.3393 0.7508 0.8219 0.0417 -0.0119 0.0242 349 GLY d N ? ? 1 +41125 N N B GLY X 338 0.3375 0.7494 0.8203 0.0417 -0.0120 0.0242 349 GLY d N ? ? 1 +41126 C CA A GLY X 338 0.3324 0.7540 0.8212 0.0489 -0.0134 0.0248 349 GLY d CA ? ? 1 +41127 C CA B GLY X 338 0.3302 0.7523 0.8193 0.0489 -0.0134 0.0248 349 GLY d CA ? ? 1 +41128 C C A GLY X 338 0.3454 0.7561 0.8243 0.0571 -0.0135 0.0246 349 GLY d C ? ? 1 +41129 C C B GLY X 338 0.3430 0.7539 0.8221 0.0570 -0.0137 0.0248 349 GLY d C ? ? 1 +41130 O O A GLY X 338 0.3595 0.7542 0.8264 0.0567 -0.0125 0.0243 349 GLY d O ? ? 1 +41131 O O B GLY X 338 0.3569 0.7517 0.8240 0.0565 -0.0128 0.0248 349 GLY d O ? ? 1 +41132 N N A ASN X 339 0.3407 0.7602 0.8249 0.0644 -0.0149 0.0247 350 ASN d N ? ? 1 +41133 N N B ASN X 339 0.3382 0.7579 0.8226 0.0643 -0.0149 0.0247 350 ASN d N ? ? 1 +41134 C CA A ASN X 339 0.3526 0.7634 0.8286 0.0730 -0.0154 0.0245 350 ASN d CA ? ? 1 +41135 C CA B ASN X 339 0.3499 0.7608 0.8260 0.0729 -0.0154 0.0245 350 ASN d CA ? ? 1 +41136 C C A ASN X 339 0.3618 0.7646 0.8311 0.0748 -0.0136 0.0226 350 ASN d C ? ? 1 +41137 C C B ASN X 339 0.3589 0.7622 0.8285 0.0749 -0.0136 0.0226 350 ASN d C ? ? 1 +41138 O O A ASN X 339 0.3538 0.7645 0.8290 0.0724 -0.0125 0.0213 350 ASN d O ? ? 1 +41139 O O B ASN X 339 0.3504 0.7621 0.8264 0.0727 -0.0126 0.0213 350 ASN d O ? ? 1 +41140 C CB A ASN X 339 0.3446 0.7689 0.8298 0.0799 -0.0173 0.0247 350 ASN d CB ? ? 1 +41141 C CB B ASN X 339 0.3415 0.7661 0.8270 0.0797 -0.0174 0.0248 350 ASN d CB ? ? 1 +41142 C CG A ASN X 339 0.3569 0.7731 0.8344 0.0889 -0.0187 0.0249 350 ASN d CG ? ? 1 +41143 C CG B ASN X 339 0.3534 0.7699 0.8312 0.0886 -0.0189 0.0251 350 ASN d CG ? ? 1 +41144 O OD1 A ASN X 339 0.3660 0.7706 0.8344 0.0896 -0.0196 0.0262 350 ASN d OD1 ? ? 1 +41145 O OD1 B ASN X 339 0.3612 0.7674 0.8309 0.0893 -0.0199 0.0264 350 ASN d OD1 ? ? 1 +41146 N ND2 A ASN X 339 0.3574 0.7794 0.8381 0.0961 -0.0189 0.0236 350 ASN d ND2 ? ? 1 +41147 N ND2 B ASN X 339 0.3547 0.7762 0.8351 0.0958 -0.0189 0.0237 350 ASN d ND2 ? ? 1 +41148 N N A ALA X 340 0.3794 0.7653 0.8352 0.0787 -0.0132 0.0225 351 ALA d N ? ? 1 +41149 N N B ALA X 340 0.3768 0.7630 0.8328 0.0785 -0.0131 0.0224 351 ALA d N ? ? 1 +41150 C CA A ALA X 340 0.3914 0.7680 0.8391 0.0824 -0.0117 0.0207 351 ALA d CA ? ? 1 +41151 C CA B ALA X 340 0.3891 0.7660 0.8371 0.0824 -0.0117 0.0206 351 ALA d CA ? ? 1 +41152 C C A ALA X 340 0.3952 0.7640 0.8380 0.0750 -0.0097 0.0193 351 ALA d C ? ? 1 +41153 C C B ALA X 340 0.3931 0.7621 0.8360 0.0752 -0.0097 0.0193 351 ALA d C ? ? 1 +41154 O O A ALA X 340 0.4106 0.7631 0.8409 0.0755 -0.0085 0.0185 351 ALA d O ? ? 1 +41155 O O B ALA X 340 0.4088 0.7615 0.8392 0.0758 -0.0086 0.0184 351 ALA d O ? ? 1 +41156 C CB A ALA X 340 0.3845 0.7742 0.8408 0.0887 -0.0118 0.0194 351 ALA d CB ? ? 1 +41157 C CB B ALA X 340 0.3823 0.7723 0.8387 0.0890 -0.0118 0.0194 351 ALA d CB ? ? 1 +41158 N N A LEU X 341 0.3819 0.7624 0.8344 0.0683 -0.0094 0.0190 352 LEU d N ? ? 1 +41159 N N B LEU X 341 0.3802 0.7608 0.8328 0.0686 -0.0094 0.0189 352 LEU d N ? ? 1 +41160 C CA A LEU X 341 0.3848 0.7598 0.8339 0.0616 -0.0080 0.0174 352 LEU d CA ? ? 1 +41161 C CA B LEU X 341 0.3832 0.7583 0.8323 0.0617 -0.0080 0.0174 352 LEU d CA ? ? 1 +41162 C C A LEU X 341 0.3923 0.7544 0.8337 0.0546 -0.0075 0.0179 352 LEU d C ? ? 1 +41163 C C B LEU X 341 0.3897 0.7530 0.8320 0.0546 -0.0076 0.0180 352 LEU d C ? ? 1 +41164 O O A LEU X 341 0.4000 0.7523 0.8346 0.0500 -0.0063 0.0164 352 LEU d O ? ? 1 +41165 O O B LEU X 341 0.3985 0.7507 0.8331 0.0502 -0.0064 0.0166 352 LEU d O ? ? 1 +41166 C CB A LEU X 341 0.3683 0.7599 0.8302 0.0569 -0.0081 0.0170 352 LEU d CB ? ? 1 +41167 C CB B LEU X 341 0.3671 0.7588 0.8288 0.0574 -0.0080 0.0169 352 LEU d CB ? ? 1 +41168 C CG A LEU X 341 0.3610 0.7655 0.8307 0.0629 -0.0080 0.0164 352 LEU d CG ? ? 1 +41169 C CG B LEU X 341 0.3601 0.7645 0.8296 0.0636 -0.0079 0.0163 352 LEU d CG ? ? 1 +41170 C CD1 A LEU X 341 0.3474 0.7652 0.8272 0.0577 -0.0077 0.0159 352 LEU d CD1 ? ? 1 +41171 C CD1 B LEU X 341 0.3459 0.7642 0.8259 0.0587 -0.0077 0.0158 352 LEU d CD1 ? ? 1 +41172 C CD2 A LEU X 341 0.3743 0.7693 0.8351 0.0691 -0.0067 0.0147 352 LEU d CD2 ? ? 1 +41173 C CD2 B LEU X 341 0.3731 0.7681 0.8337 0.0697 -0.0066 0.0146 352 LEU d CD2 ? ? 1 +41174 O OXT A LEU X 341 0.3910 0.7525 0.8328 0.0536 -0.0082 0.0198 352 LEU d OXT ? ? 1 +41175 O OXT B LEU X 341 0.3862 0.7511 0.8307 0.0531 -0.0084 0.0199 352 LEU d OXT ? ? 1 +41176 N N . GLY Y 1 1.1360 1.5717 1.4331 -0.0056 -0.2430 -0.1242 6 GLY e N ? ? 1 +41177 C CA . GLY Y 1 1.1443 1.5822 1.4442 -0.0104 -0.2523 -0.1327 6 GLY e CA ? ? 1 +41178 C C . GLY Y 1 1.1394 1.5669 1.4345 -0.0159 -0.2488 -0.1361 6 GLY e C ? ? 1 +41179 O O . GLY Y 1 1.1438 1.5640 1.4284 -0.0168 -0.2552 -0.1422 6 GLY e O ? ? 1 +41180 N N . GLU Y 2 1.1240 1.5507 1.4266 -0.0194 -0.2387 -0.1322 7 GLU e N ? ? 1 +41181 C CA . GLU Y 2 1.1359 1.5522 1.4341 -0.0243 -0.2342 -0.1347 7 GLU e CA ? ? 1 +41182 C CB . GLU Y 2 1.1261 1.5475 1.4400 -0.0295 -0.2248 -0.1309 7 GLU e CB ? ? 1 +41183 C CG . GLU Y 2 1.1156 1.5528 1.4528 -0.0370 -0.2280 -0.1340 7 GLU e CG ? ? 1 +41184 C CD . GLU Y 2 1.0964 1.5490 1.4492 -0.0356 -0.2276 -0.1297 7 GLU e CD ? ? 1 +41185 O OE1 . GLU Y 2 1.0819 1.5334 1.4276 -0.0285 -0.2253 -0.1242 7 GLU e OE1 ? ? 1 +41186 O OE2 . GLU Y 2 1.0827 1.5483 1.4550 -0.0417 -0.2292 -0.1318 7 GLU e OE2 ? ? 1 +41187 C C . GLU Y 2 1.1326 1.5305 1.4067 -0.0187 -0.2301 -0.1329 7 GLU e C ? ? 1 +41188 O O . GLU Y 2 1.1314 1.5250 1.3953 -0.0117 -0.2263 -0.1274 7 GLU e O ? ? 1 +41189 N N . ARG Y 3 1.1184 1.5053 1.3840 -0.0221 -0.2305 -0.1377 8 ARG e N ? ? 1 +41190 C CA . ARG Y 3 1.1372 1.5062 1.3800 -0.0174 -0.2269 -0.1370 8 ARG e CA ? ? 1 +41191 C CB . ARG Y 3 1.1584 1.5181 1.3930 -0.0216 -0.2324 -0.1449 8 ARG e CB ? ? 1 +41192 C CG . ARG Y 3 1.1966 1.5380 1.4058 -0.0161 -0.2314 -0.1456 8 ARG e CG ? ? 1 +41193 C CD . ARG Y 3 1.2199 1.5539 1.4198 -0.0190 -0.2402 -0.1542 8 ARG e CD ? ? 1 +41194 N NE . ARG Y 3 1.2399 1.5687 1.4443 -0.0263 -0.2371 -0.1577 8 ARG e NE ? ? 1 +41195 C CZ . ARG Y 3 1.2782 1.5906 1.4671 -0.0255 -0.2321 -0.1584 8 ARG e CZ ? ? 1 +41196 N NH1 . ARG Y 3 1.3005 1.6011 1.4708 -0.0179 -0.2270 -0.1544 8 ARG e NH1 ? ? 1 +41197 N NH2 . ARG Y 3 1.2756 1.5832 1.4678 -0.0325 -0.2318 -0.1632 8 ARG e NH2 ? ? 1 +41198 C C . ARG Y 3 1.1255 1.4887 1.3674 -0.0164 -0.2144 -0.1306 8 ARG e C ? ? 1 +41199 O O . ARG Y 3 1.1193 1.4873 1.3755 -0.0221 -0.2095 -0.1299 8 ARG e O ? ? 1 +41200 N N . PRO Y 4 1.1234 1.4765 1.3492 -0.0092 -0.2085 -0.1257 9 PRO e N ? ? 1 +41201 C CA . PRO Y 4 1.1227 1.4715 1.3486 -0.0079 -0.1967 -0.1196 9 PRO e CA ? ? 1 +41202 C CB . PRO Y 4 1.1257 1.4631 1.3308 0.0006 -0.1935 -0.1161 9 PRO e CB ? ? 1 +41203 C CG . PRO Y 4 1.1285 1.4689 1.3277 0.0041 -0.2029 -0.1181 9 PRO e CG ? ? 1 +41204 C CD . PRO Y 4 1.1363 1.4819 1.3432 -0.0018 -0.2129 -0.1257 9 PRO e CD ? ? 1 +41205 C C . PRO Y 4 1.1344 1.4749 1.3602 -0.0125 -0.1914 -0.1216 9 PRO e C ? ? 1 +41206 O O . PRO Y 4 1.1755 1.5053 1.3897 -0.0139 -0.1948 -0.1270 9 PRO e O ? ? 1 +41207 N N . PHE Y 5 1.1249 1.4700 1.3630 -0.0148 -0.1830 -0.1171 10 PHE e N ? ? 1 +41208 C CA . PHE Y 5 1.1334 1.4706 1.3716 -0.0184 -0.1768 -0.1179 10 PHE e CA ? ? 1 +41209 C CB . PHE Y 5 1.1322 1.4759 1.3841 -0.0194 -0.1675 -0.1117 10 PHE e CB ? ? 1 +41210 C CG . PHE Y 5 1.1365 1.4955 1.4107 -0.0256 -0.1692 -0.1116 10 PHE e CG ? ? 1 +41211 C CD1 . PHE Y 5 1.1443 1.5042 1.4278 -0.0332 -0.1708 -0.1160 10 PHE e CD1 ? ? 1 +41212 C CD2 . PHE Y 5 1.1401 1.5122 1.4258 -0.0237 -0.1688 -0.1070 10 PHE e CD2 ? ? 1 +41213 C CE1 . PHE Y 5 1.1334 1.5073 1.4374 -0.0389 -0.1718 -0.1158 10 PHE e CE1 ? ? 1 +41214 C CE2 . PHE Y 5 1.1290 1.5150 1.4350 -0.0292 -0.1701 -0.1070 10 PHE e CE2 ? ? 1 +41215 C CZ . PHE Y 5 1.1200 1.5070 1.4351 -0.0367 -0.1714 -0.1113 10 PHE e CZ ? ? 1 +41216 C C . PHE Y 5 1.1282 1.4478 1.3447 -0.0137 -0.1729 -0.1183 10 PHE e C ? ? 1 +41217 O O . PHE Y 5 1.1437 1.4537 1.3547 -0.0170 -0.1728 -0.1225 10 PHE e O ? ? 1 +41218 N N . SER Y 6 1.1151 1.4304 1.3196 -0.0063 -0.1693 -0.1138 11 SER e N ? ? 1 +41219 C CA . SER Y 6 1.1244 1.4236 1.3087 -0.0013 -0.1645 -0.1135 11 SER e CA ? ? 1 +41220 C CB . SER Y 6 1.1330 1.4309 1.3085 0.0064 -0.1591 -0.1074 11 SER e CB ? ? 1 +41221 O OG . SER Y 6 1.1576 1.4611 1.3310 0.0089 -0.1663 -0.1076 11 SER e OG ? ? 1 +41222 C C . SER Y 6 1.1133 1.4013 1.2817 -0.0014 -0.1721 -0.1205 11 SER e C ? ? 1 +41223 O O . SER Y 6 1.1190 1.3934 1.2746 -0.0008 -0.1692 -0.1228 11 SER e O ? ? 1 +41224 N N . ASP Y 7 1.0927 1.3866 1.2620 -0.0021 -0.1821 -0.1240 12 ASP e N ? ? 1 +41225 C CA . ASP Y 7 1.1085 1.3941 1.2659 -0.0035 -0.1907 -0.1314 12 ASP e CA ? ? 1 +41226 C CB . ASP Y 7 1.1193 1.4136 1.2787 -0.0029 -0.2016 -0.1342 12 ASP e CB ? ? 1 +41227 C CG . ASP Y 7 1.1353 1.4254 1.2791 0.0054 -0.2026 -0.1313 12 ASP e CG ? ? 1 +41228 O OD1 . ASP Y 7 1.1541 1.4367 1.2877 0.0107 -0.1940 -0.1261 12 ASP e OD1 ? ? 1 +41229 O OD2 . ASP Y 7 1.1521 1.4462 1.2936 0.0066 -0.2121 -0.1342 12 ASP e OD2 ? ? 1 +41230 C C . ASP Y 7 1.0938 1.3777 1.2590 -0.0115 -0.1924 -0.1369 12 ASP e C ? ? 1 +41231 O O . ASP Y 7 1.1158 1.3864 1.2673 -0.0121 -0.1939 -0.1416 12 ASP e O ? ? 1 +41232 N N . ILE Y 8 1.0606 1.3576 1.2473 -0.0177 -0.1920 -0.1363 13 ILE e N ? ? 1 +41233 C CA . ILE Y 8 1.0406 1.3371 1.2362 -0.0260 -0.1938 -0.1415 13 ILE e CA ? ? 1 +41234 C CB . ILE Y 8 1.0224 1.3362 1.2428 -0.0323 -0.1948 -0.1406 13 ILE e CB ? ? 1 +41235 C CG1 . ILE Y 8 1.0283 1.3552 1.2562 -0.0325 -0.2048 -0.1430 13 ILE e CG1 ? ? 1 +41236 C CG2 . ILE Y 8 1.0187 1.3307 1.2480 -0.0410 -0.1946 -0.1451 13 ILE e CG2 ? ? 1 +41237 C CD1 . ILE Y 8 1.0089 1.3539 1.2606 -0.0369 -0.2051 -0.1410 13 ILE e CD1 ? ? 1 +41238 C C . ILE Y 8 1.0326 1.3158 1.2210 -0.0264 -0.1851 -0.1406 13 ILE e C ? ? 1 +41239 O O . ILE Y 8 1.0334 1.3054 1.2128 -0.0293 -0.1875 -0.1461 13 ILE e O ? ? 1 +41240 N N . ILE Y 9 1.0096 1.2940 1.2018 -0.0234 -0.1754 -0.1337 14 ILE e N ? ? 1 +41241 C CA . ILE Y 9 1.0090 1.2828 1.1973 -0.0240 -0.1670 -0.1325 14 ILE e CA ? ? 1 +41242 C CB . ILE Y 9 0.9922 1.2737 1.1932 -0.0228 -0.1576 -0.1251 14 ILE e CB ? ? 1 +41243 C CG1 . ILE Y 9 0.9887 1.2710 1.1824 -0.0144 -0.1527 -0.1189 14 ILE e CG1 ? ? 1 +41244 C CG2 . ILE Y 9 0.9751 1.2729 1.1987 -0.0291 -0.1599 -0.1246 14 ILE e CG2 ? ? 1 +41245 C CD1 . ILE Y 9 0.9649 1.2544 1.1699 -0.0128 -0.1438 -0.1120 14 ILE e CD1 ? ? 1 +41246 C C . ILE Y 9 1.0171 1.2733 1.1823 -0.0181 -0.1641 -0.1334 14 ILE e C ? ? 1 +41247 O O . ILE Y 9 1.0225 1.2683 1.1824 -0.0181 -0.1577 -0.1331 14 ILE e O ? ? 1 +41248 N N . THR Y 10 1.0150 1.2678 1.1663 -0.0128 -0.1686 -0.1343 15 THR e N ? ? 1 +41249 C CA . THR Y 10 1.0258 1.2616 1.1541 -0.0075 -0.1671 -0.1360 15 THR e CA ? ? 1 +41250 C CB . THR Y 10 1.0238 1.2591 1.1415 0.0010 -0.1639 -0.1309 15 THR e CB ? ? 1 +41251 O OG1 . THR Y 10 1.0232 1.2684 1.1446 0.0014 -0.1720 -0.1315 15 THR e OG1 ? ? 1 +41252 C CG2 . THR Y 10 1.0016 1.2423 1.1276 0.0040 -0.1535 -0.1232 15 THR e CG2 ? ? 1 +41253 C C . THR Y 10 1.0339 1.2617 1.1512 -0.0101 -0.1767 -0.1441 15 THR e C ? ? 1 +41254 O O . THR Y 10 1.0406 1.2537 1.1378 -0.0060 -0.1767 -0.1464 15 THR e O ? ? 1 +41255 N N . SER Y 11 1.0306 1.2679 1.1613 -0.0171 -0.1848 -0.1485 16 SER e N ? ? 1 +41256 C CA . SER Y 11 1.0492 1.2807 1.1721 -0.0205 -0.1946 -0.1567 16 SER e CA ? ? 1 +41257 C CB . SER Y 11 1.0379 1.2851 1.1765 -0.0254 -0.2043 -0.1598 16 SER e CB ? ? 1 +41258 O OG . SER Y 11 1.0245 1.2807 1.1831 -0.0337 -0.2034 -0.1607 16 SER e OG ? ? 1 +41259 C C . SER Y 11 1.0581 1.2788 1.1792 -0.0263 -0.1929 -0.1612 16 SER e C ? ? 1 +41260 O O . SER Y 11 1.0384 1.2619 1.1717 -0.0302 -0.1867 -0.1589 16 SER e O ? ? 1 +41261 N N . VAL Y 12 1.0870 1.2951 1.1925 -0.0269 -0.1987 -0.1679 17 VAL e N ? ? 1 +41262 C CA . VAL Y 12 1.1054 1.3018 1.2072 -0.0324 -0.1979 -0.1729 17 VAL e CA ? ? 1 +41263 C CB . VAL Y 12 1.1469 1.3271 1.2264 -0.0305 -0.2037 -0.1795 17 VAL e CB ? ? 1 +41264 C CG1 . VAL Y 12 1.1633 1.3284 1.2360 -0.0349 -0.2009 -0.1838 17 VAL e CG1 ? ? 1 +41265 C CG2 . VAL Y 12 1.1624 1.3338 1.2220 -0.0203 -0.2005 -0.1760 17 VAL e CG2 ? ? 1 +41266 C C . VAL Y 12 1.0900 1.2974 1.2123 -0.0424 -0.2024 -0.1766 17 VAL e C ? ? 1 +41267 O O . VAL Y 12 1.0817 1.2851 1.2101 -0.0476 -0.1976 -0.1770 17 VAL e O ? ? 1 +41268 N N . ARG Y 13 1.0891 1.3101 1.2216 -0.0450 -0.2114 -0.1792 18 ARG e N ? ? 1 +41269 C CA . ARG Y 13 1.0921 1.3243 1.2438 -0.0546 -0.2165 -0.1835 18 ARG e CA ? ? 1 +41270 C CB . ARG Y 13 1.1358 1.3826 1.2959 -0.0554 -0.2272 -0.1864 18 ARG e CB ? ? 1 +41271 C CG . ARG Y 13 1.1791 1.4377 1.3587 -0.0655 -0.2333 -0.1919 18 ARG e CG ? ? 1 +41272 C CD . ARG Y 13 1.2296 1.5060 1.4214 -0.0655 -0.2421 -0.1930 18 ARG e CD ? ? 1 +41273 N NE . ARG Y 13 1.2925 1.5828 1.5067 -0.0750 -0.2457 -0.1967 18 ARG e NE ? ? 1 +41274 C CZ . ARG Y 13 1.3444 1.6523 1.5737 -0.0766 -0.2529 -0.1981 18 ARG e CZ ? ? 1 +41275 N NH1 . ARG Y 13 1.3684 1.6824 1.5934 -0.0693 -0.2575 -0.1960 18 ARG e NH1 ? ? 1 +41276 N NH2 . ARG Y 13 1.3421 1.6617 1.5915 -0.0857 -0.2553 -0.2017 18 ARG e NH2 ? ? 1 +41277 C C . ARG Y 13 1.0352 1.2768 1.2057 -0.0580 -0.2085 -0.1779 18 ARG e C ? ? 1 +41278 O O . ARG Y 13 1.0187 1.2605 1.1995 -0.0659 -0.2076 -0.1807 18 ARG e O ? ? 1 +41279 N N . TYR Y 14 0.9961 1.2450 1.1706 -0.0520 -0.2026 -0.1703 19 TYR e N ? ? 1 +41280 C CA . TYR Y 14 0.9576 1.2147 1.1485 -0.0542 -0.1946 -0.1646 19 TYR e CA ? ? 1 +41281 C CB . TYR Y 14 0.9376 1.2008 1.1290 -0.0463 -0.1885 -0.1563 19 TYR e CB ? ? 1 +41282 C CG . TYR Y 14 0.9125 1.1831 1.1195 -0.0482 -0.1800 -0.1504 19 TYR e CG ? ? 1 +41283 C CD1 . TYR Y 14 0.8905 1.1775 1.1187 -0.0536 -0.1819 -0.1496 19 TYR e CD1 ? ? 1 +41284 C CD2 . TYR Y 14 0.9116 1.1725 1.1120 -0.0447 -0.1702 -0.1460 19 TYR e CD2 ? ? 1 +41285 C CE1 . TYR Y 14 0.8676 1.1608 1.1095 -0.0555 -0.1743 -0.1445 19 TYR e CE1 ? ? 1 +41286 C CE2 . TYR Y 14 0.8895 1.1569 1.1039 -0.0464 -0.1629 -0.1409 19 TYR e CE2 ? ? 1 +41287 C CZ . TYR Y 14 0.8688 1.1520 1.1036 -0.0519 -0.1650 -0.1402 19 TYR e CZ ? ? 1 +41288 O OH . TYR Y 14 0.8538 1.1433 1.1020 -0.0535 -0.1580 -0.1353 19 TYR e OH ? ? 1 +41289 C C . TYR Y 14 0.9519 1.1958 1.1387 -0.0569 -0.1871 -0.1646 19 TYR e C ? ? 1 +41290 O O . TYR Y 14 0.9350 1.1830 1.1357 -0.0640 -0.1851 -0.1652 19 TYR e O ? ? 1 +41291 N N . TRP Y 15 0.9625 1.1902 1.1296 -0.0511 -0.1830 -0.1640 20 TRP e N ? ? 1 +41292 C CA . TRP Y 15 0.9641 1.1783 1.1253 -0.0518 -0.1751 -0.1633 20 TRP e CA ? ? 1 +41293 C CB . TRP Y 15 0.9778 1.1782 1.1188 -0.0425 -0.1691 -0.1602 20 TRP e CB ? ? 1 +41294 C CG . TRP Y 15 0.9655 1.1740 1.1115 -0.0361 -0.1618 -0.1519 20 TRP e CG ? ? 1 +41295 C CD1 . TRP Y 15 0.9657 1.1790 1.1065 -0.0291 -0.1620 -0.1483 20 TRP e CD1 ? ? 1 +41296 N NE1 . TRP Y 15 0.9528 1.1734 1.1018 -0.0253 -0.1540 -0.1409 20 TRP e NE1 ? ? 1 +41297 C CE2 . TRP Y 15 0.9480 1.1687 1.1075 -0.0296 -0.1486 -0.1396 20 TRP e CE2 ? ? 1 +41298 C CZ2 . TRP Y 15 0.9347 1.1614 1.1049 -0.0282 -0.1403 -0.1332 20 TRP e CZ2 ? ? 1 +41299 C CH2 . TRP Y 15 0.9305 1.1549 1.1091 -0.0334 -0.1366 -0.1335 20 TRP e CH2 ? ? 1 +41300 C CZ3 . TRP Y 15 0.9391 1.1552 1.1156 -0.0401 -0.1407 -0.1399 20 TRP e CZ3 ? ? 1 +41301 C CE3 . TRP Y 15 0.9574 1.1679 1.1239 -0.0420 -0.1489 -0.1464 20 TRP e CE3 ? ? 1 +41302 C CD2 . TRP Y 15 0.9590 1.1719 1.1168 -0.0365 -0.1532 -0.1463 20 TRP e CD2 ? ? 1 +41303 C C . TRP Y 15 0.9717 1.1761 1.1304 -0.0597 -0.1791 -0.1708 20 TRP e C ? ? 1 +41304 O O . TRP Y 15 0.9729 1.1715 1.1354 -0.0637 -0.1737 -0.1705 20 TRP e O ? ? 1 +41305 N N . VAL Y 16 0.9809 1.1833 1.1329 -0.0618 -0.1886 -0.1776 21 VAL e N ? ? 1 +41306 C CA . VAL Y 16 0.9938 1.1889 1.1454 -0.0702 -0.1934 -0.1853 21 VAL e CA ? ? 1 +41307 C CB . VAL Y 16 1.0058 1.2000 1.1495 -0.0716 -0.2049 -0.1928 21 VAL e CB ? ? 1 +41308 C CG1 . VAL Y 16 1.0132 1.2052 1.1629 -0.0820 -0.2105 -0.2007 21 VAL e CG1 ? ? 1 +41309 C CG2 . VAL Y 16 1.0242 1.2021 1.1428 -0.0639 -0.2054 -0.1941 21 VAL e CG2 ? ? 1 +41310 C C . VAL Y 16 0.9820 1.1894 1.1563 -0.0791 -0.1927 -0.1852 21 VAL e C ? ? 1 +41311 O O . VAL Y 16 0.9884 1.1879 1.1647 -0.0845 -0.1885 -0.1865 21 VAL e O ? ? 1 +41312 N N . ILE Y 17 0.9657 1.1922 1.1565 -0.0804 -0.1966 -0.1835 22 ILE e N ? ? 1 +41313 C CA . ILE Y 17 0.9503 1.1901 1.1634 -0.0887 -0.1965 -0.1836 22 ILE e CA ? ? 1 +41314 C CB . ILE Y 17 0.9350 1.1958 1.1637 -0.0885 -0.2023 -0.1824 22 ILE e CB ? ? 1 +41315 C CG1 . ILE Y 17 0.9474 1.2108 1.1719 -0.0898 -0.2140 -0.1897 22 ILE e CG1 ? ? 1 +41316 C CG2 . ILE Y 17 0.9189 1.1943 1.1711 -0.0960 -0.2006 -0.1812 22 ILE e CG2 ? ? 1 +41317 C CD1 . ILE Y 17 0.9603 1.2200 1.1885 -0.0998 -0.2193 -0.1981 22 ILE e CD1 ? ? 1 +41318 C C . ILE Y 17 0.9393 1.1775 1.1587 -0.0886 -0.1857 -0.1773 22 ILE e C ? ? 1 +41319 O O . ILE Y 17 0.9413 1.1766 1.1682 -0.0959 -0.1831 -0.1789 22 ILE e O ? ? 1 +41320 N N . HIS Y 18 0.9301 1.1699 1.1461 -0.0802 -0.1797 -0.1700 23 HIS e N ? ? 1 +41321 C CA . HIS Y 18 0.9145 1.1583 1.1405 -0.0795 -0.1706 -0.1632 23 HIS e CA ? ? 1 +41322 C CB . HIS Y 18 0.9019 1.1573 1.1316 -0.0718 -0.1684 -0.1564 23 HIS e CB ? ? 1 +41323 C CG . HIS Y 18 0.8855 1.1607 1.1341 -0.0752 -0.1734 -0.1560 23 HIS e CG ? ? 1 +41324 N ND1 . HIS Y 18 0.8725 1.1579 1.1395 -0.0808 -0.1702 -0.1539 23 HIS e ND1 ? ? 1 +41325 C CE1 . HIS Y 18 0.8610 1.1630 1.1417 -0.0827 -0.1759 -0.1544 23 HIS e CE1 ? ? 1 +41326 N NE2 . HIS Y 18 0.8633 1.1665 1.1355 -0.0784 -0.1828 -0.1566 23 HIS e NE2 ? ? 1 +41327 C CD2 . HIS Y 18 0.8816 1.1674 1.1328 -0.0738 -0.1813 -0.1578 23 HIS e CD2 ? ? 1 +41328 C C . HIS Y 18 0.9230 1.1493 1.1374 -0.0779 -0.1625 -0.1618 23 HIS e C ? ? 1 +41329 O O . HIS Y 18 0.9086 1.1363 1.1317 -0.0793 -0.1555 -0.1576 23 HIS e O ? ? 1 +41330 N N . SER Y 19 0.9458 1.1556 1.1406 -0.0751 -0.1636 -0.1655 24 SER e N ? ? 1 +41331 C CA . SER Y 19 0.9576 1.1497 1.1408 -0.0742 -0.1569 -0.1653 24 SER e CA ? ? 1 +41332 C CB . SER Y 19 0.9773 1.1530 1.1375 -0.0683 -0.1579 -0.1682 24 SER e CB ? ? 1 +41333 O OG . SER Y 19 0.9930 1.1636 1.1474 -0.0735 -0.1666 -0.1762 24 SER e OG ? ? 1 +41334 C C . SER Y 19 0.9622 1.1490 1.1516 -0.0841 -0.1575 -0.1700 24 SER e C ? ? 1 +41335 O O . SER Y 19 0.9651 1.1394 1.1493 -0.0845 -0.1510 -0.1689 24 SER e O ? ? 1 +41336 N N . ILE Y 20 0.9599 1.1558 1.1602 -0.0920 -0.1652 -0.1752 25 ILE e N ? ? 1 +41337 C CA . ILE Y 20 0.9614 1.1558 1.1714 -0.1024 -0.1656 -0.1791 25 ILE e CA ? ? 1 +41338 C CB . ILE Y 20 0.9739 1.1711 1.1860 -0.1096 -0.1758 -0.1876 25 ILE e CB ? ? 1 +41339 C CG1 . ILE Y 20 1.0029 1.1835 1.1935 -0.1070 -0.1801 -0.1933 25 ILE e CG1 ? ? 1 +41340 C CG2 . ILE Y 20 0.9735 1.1724 1.1990 -0.1211 -0.1761 -0.1914 25 ILE e CG2 ? ? 1 +41341 C CD1 . ILE Y 20 1.0207 1.1794 1.1966 -0.1076 -0.1744 -0.1946 25 ILE e CD1 ? ? 1 +41342 C C . ILE Y 20 0.9413 1.1508 1.1724 -0.1062 -0.1616 -0.1744 25 ILE e C ? ? 1 +41343 O O . ILE Y 20 0.9446 1.1483 1.1793 -0.1096 -0.1552 -0.1725 25 ILE e O ? ? 1 +41344 N N . THR Y 21 0.9193 1.1477 1.1638 -0.1055 -0.1655 -0.1726 26 THR e N ? ? 1 +41345 C CA . THR Y 21 0.8881 1.1320 1.1536 -0.1102 -0.1633 -0.1694 26 THR e CA ? ? 1 +41346 C CB . THR Y 21 0.8770 1.1408 1.1552 -0.1098 -0.1700 -0.1694 26 THR e CB ? ? 1 +41347 O OG1 . THR Y 21 0.8796 1.1447 1.1485 -0.0997 -0.1698 -0.1652 26 THR e OG1 ? ? 1 +41348 C CG2 . THR Y 21 0.8875 1.1547 1.1682 -0.1163 -0.1800 -0.1778 26 THR e CG2 ? ? 1 +41349 C C . THR Y 21 0.8588 1.1027 1.1272 -0.1057 -0.1536 -0.1613 26 THR e C ? ? 1 +41350 O O . THR Y 21 0.8507 1.0993 1.1320 -0.1109 -0.1496 -0.1594 26 THR e O ? ? 1 +41351 N N . ILE Y 22 0.8433 1.0821 1.1000 -0.0960 -0.1497 -0.1567 27 ILE e N ? ? 1 +41352 C CA . ILE Y 22 0.8224 1.0617 1.0818 -0.0912 -0.1408 -0.1492 27 ILE e CA ? ? 1 +41353 C CB . ILE Y 22 0.8202 1.0587 1.0690 -0.0803 -0.1383 -0.1445 27 ILE e CB ? ? 1 +41354 C CG1 . ILE Y 22 0.8059 1.0624 1.0643 -0.0779 -0.1430 -0.1426 27 ILE e CG1 ? ? 1 +41355 C CG2 . ILE Y 22 0.8121 1.0463 1.0594 -0.0749 -0.1287 -0.1379 27 ILE e CG2 ? ? 1 +41356 C CD1 . ILE Y 22 0.8030 1.0593 1.0511 -0.0680 -0.1415 -0.1386 27 ILE e CD1 ? ? 1 +41357 C C . ILE Y 22 0.8228 1.0470 1.0770 -0.0939 -0.1344 -0.1492 27 ILE e C ? ? 1 +41358 O O . ILE Y 22 0.8060 1.0347 1.0717 -0.0969 -0.1296 -0.1458 27 ILE e O ? ? 1 +41359 N N . PRO Y 23 0.8394 1.0449 1.0762 -0.0929 -0.1340 -0.1529 28 PRO e N ? ? 1 +41360 C CA . PRO Y 23 0.8422 1.0326 1.0740 -0.0961 -0.1285 -0.1535 28 PRO e CA ? ? 1 +41361 C CB . PRO Y 23 0.8678 1.0395 1.0790 -0.0939 -0.1304 -0.1584 28 PRO e CB ? ? 1 +41362 C CG . PRO Y 23 0.8705 1.0467 1.0740 -0.0862 -0.1338 -0.1577 28 PRO e CG ? ? 1 +41363 C CD . PRO Y 23 0.8553 1.0525 1.0755 -0.0883 -0.1386 -0.1565 28 PRO e CD ? ? 1 +41364 C C . PRO Y 23 0.8314 1.0244 1.0759 -0.1072 -0.1299 -0.1568 28 PRO e C ? ? 1 +41365 O O . PRO Y 23 0.8255 1.0140 1.0740 -0.1097 -0.1238 -0.1541 28 PRO e O ? ? 1 +41366 N N . ALA Y 24 0.8275 1.0276 1.0782 -0.1139 -0.1378 -0.1627 29 ALA e N ? ? 1 +41367 C CA . ALA Y 24 0.8232 1.0266 1.0866 -0.1250 -0.1393 -0.1664 29 ALA e CA ? ? 1 +41368 C CB . ALA Y 24 0.8261 1.0385 1.0951 -0.1307 -0.1489 -0.1732 29 ALA e CB ? ? 1 +41369 C C . ALA Y 24 0.7980 1.0149 1.0794 -0.1271 -0.1345 -0.1608 29 ALA e C ? ? 1 +41370 O O . ALA Y 24 0.7973 1.0092 1.0836 -0.1332 -0.1302 -0.1607 29 ALA e O ? ? 1 +41371 N N . LEU Y 25 0.7767 1.0100 1.0671 -0.1220 -0.1352 -0.1563 30 LEU e N ? ? 1 +41372 C CA . LEU Y 25 0.7528 0.9993 1.0596 -0.1229 -0.1308 -0.1507 30 LEU e CA ? ? 1 +41373 C CB . LEU Y 25 0.7361 1.0011 1.0517 -0.1175 -0.1338 -0.1472 30 LEU e CB ? ? 1 +41374 C CG . LEU Y 25 0.7325 1.0119 1.0590 -0.1223 -0.1424 -0.1519 30 LEU e CG ? ? 1 +41375 C CD1 . LEU Y 25 0.7182 1.0127 1.0499 -0.1155 -0.1447 -0.1480 30 LEU e CD1 ? ? 1 +41376 C CD2 . LEU Y 25 0.7256 1.0140 1.0695 -0.1322 -0.1425 -0.1539 30 LEU e CD2 ? ? 1 +41377 C C . LEU Y 25 0.7469 0.9836 1.0481 -0.1182 -0.1216 -0.1447 30 LEU e C ? ? 1 +41378 O O . LEU Y 25 0.7403 0.9783 1.0507 -0.1225 -0.1170 -0.1424 30 LEU e O ? ? 1 +41379 N N . PHE Y 26 0.7474 0.9743 1.0336 -0.1093 -0.1190 -0.1423 31 PHE e N ? ? 1 +41380 C CA . PHE Y 26 0.7426 0.9601 1.0226 -0.1038 -0.1108 -0.1369 31 PHE e CA ? ? 1 +41381 C CB . PHE Y 26 0.7504 0.9591 1.0139 -0.0937 -0.1093 -0.1353 31 PHE e CB ? ? 1 +41382 C CG . PHE Y 26 0.7470 0.9484 1.0049 -0.0867 -0.1010 -0.1295 31 PHE e CG ? ? 1 +41383 C CD1 . PHE Y 26 0.7629 0.9456 1.0085 -0.0864 -0.0968 -0.1305 31 PHE e CD1 ? ? 1 +41384 C CD2 . PHE Y 26 0.7296 0.9431 0.9949 -0.0805 -0.0976 -0.1230 31 PHE e CD2 ? ? 1 +41385 C CE1 . PHE Y 26 0.7597 0.9362 1.0006 -0.0795 -0.0896 -0.1254 31 PHE e CE1 ? ? 1 +41386 C CE2 . PHE Y 26 0.7274 0.9349 0.9882 -0.0739 -0.0903 -0.1179 31 PHE e CE2 ? ? 1 +41387 C CZ . PHE Y 26 0.7428 0.9320 0.9916 -0.0734 -0.0864 -0.1191 31 PHE e CZ ? ? 1 +41388 C C . PHE Y 26 0.7522 0.9540 1.0276 -0.1097 -0.1072 -0.1392 31 PHE e C ? ? 1 +41389 O O . PHE Y 26 0.7430 0.9444 1.0244 -0.1108 -0.1015 -0.1353 31 PHE e O ? ? 1 +41390 N N . ILE Y 27 0.7703 0.9590 1.0348 -0.1137 -0.1108 -0.1457 32 ILE e N ? ? 1 +41391 C CA . ILE Y 27 0.7839 0.9566 1.0431 -0.1200 -0.1080 -0.1486 32 ILE e CA ? ? 1 +41392 C CB . ILE Y 27 0.8082 0.9664 1.0531 -0.1230 -0.1130 -0.1562 32 ILE e CB ? ? 1 +41393 C CG1 . ILE Y 27 0.8216 0.9677 1.0474 -0.1131 -0.1120 -0.1556 32 ILE e CG1 ? ? 1 +41394 C CG2 . ILE Y 27 0.8222 0.9650 1.0635 -0.1315 -0.1109 -0.1600 32 ILE e CG2 ? ? 1 +41395 C CD1 . ILE Y 27 0.8253 0.9583 1.0413 -0.1060 -0.1034 -0.1504 32 ILE e CD1 ? ? 1 +41396 C C . ILE Y 27 0.7734 0.9548 1.0494 -0.1299 -0.1076 -0.1491 32 ILE e C ? ? 1 +41397 O O . ILE Y 27 0.7765 0.9485 1.0521 -0.1331 -0.1021 -0.1476 32 ILE e O ? ? 1 +41398 N N . ALA Y 28 0.7614 0.9601 1.0516 -0.1347 -0.1135 -0.1514 33 ALA e N ? ? 1 +41399 C CA . ALA Y 28 0.7506 0.9592 1.0578 -0.1440 -0.1132 -0.1521 33 ALA e CA ? ? 1 +41400 C CB . ALA Y 28 0.7414 0.9687 1.0621 -0.1481 -0.1209 -0.1556 33 ALA e CB ? ? 1 +41401 C C . ALA Y 28 0.7327 0.9479 1.0491 -0.1414 -0.1063 -0.1447 33 ALA e C ? ? 1 +41402 O O . ALA Y 28 0.7318 0.9441 1.0543 -0.1476 -0.1022 -0.1440 33 ALA e O ? ? 1 +41403 N N . GLY Y 29 0.7177 0.9415 1.0346 -0.1321 -0.1049 -0.1391 34 GLY e N ? ? 1 +41404 C CA . GLY Y 29 0.7013 0.9307 1.0252 -0.1282 -0.0985 -0.1319 34 GLY e CA ? ? 1 +41405 C C . GLY Y 29 0.7100 0.9214 1.0227 -0.1257 -0.0913 -0.1292 34 GLY e C ? ? 1 +41406 O O . GLY Y 29 0.7048 0.9167 1.0242 -0.1279 -0.0862 -0.1256 34 GLY e O ? ? 1 +41407 N N . TRP Y 30 0.7232 0.9186 1.0184 -0.1210 -0.0910 -0.1310 35 TRP e N ? ? 1 +41408 C CA . TRP Y 30 0.7328 0.9093 1.0154 -0.1185 -0.0848 -0.1293 35 TRP e CA ? ? 1 +41409 C CB . TRP Y 30 0.7496 0.9107 1.0130 -0.1125 -0.0858 -0.1320 35 TRP e CB ? ? 1 +41410 C CG . TRP Y 30 0.7620 0.9039 1.0117 -0.1082 -0.0795 -0.1300 35 TRP e CG ? ? 1 +41411 C CD1 . TRP Y 30 0.7771 0.9028 1.0208 -0.1138 -0.0768 -0.1322 35 TRP e CD1 ? ? 1 +41412 N NE1 . TRP Y 30 0.7857 0.8964 1.0166 -0.1067 -0.0712 -0.1293 35 TRP e NE1 ? ? 1 +41413 C CE2 . TRP Y 30 0.7756 0.8935 1.0049 -0.0965 -0.0700 -0.1251 35 TRP e CE2 ? ? 1 +41414 C CZ2 . TRP Y 30 0.7792 0.8884 0.9981 -0.0866 -0.0649 -0.1212 35 TRP e CZ2 ? ? 1 +41415 C CH2 . TRP Y 30 0.7672 0.8875 0.9876 -0.0779 -0.0646 -0.1176 35 TRP e CH2 ? ? 1 +41416 C CZ3 . TRP Y 30 0.7527 0.8913 0.9836 -0.0787 -0.0693 -0.1176 35 TRP e CZ3 ? ? 1 +41417 C CE3 . TRP Y 30 0.7498 0.8969 0.9907 -0.0880 -0.0746 -0.1214 35 TRP e CE3 ? ? 1 +41418 C CD2 . TRP Y 30 0.7610 0.8981 1.0016 -0.0972 -0.0750 -0.1253 35 TRP e CD2 ? ? 1 +41419 C C . TRP Y 30 0.7416 0.9088 1.0265 -0.1284 -0.0830 -0.1321 35 TRP e C ? ? 1 +41420 O O . TRP Y 30 0.7382 0.9007 1.0247 -0.1285 -0.0771 -0.1282 35 TRP e O ? ? 1 +41421 N N . LEU Y 31 0.7532 0.9179 1.0383 -0.1368 -0.0880 -0.1389 36 LEU e N ? ? 1 +41422 C CA . LEU Y 31 0.7644 0.9196 1.0511 -0.1470 -0.0865 -0.1423 36 LEU e CA ? ? 1 +41423 C CB . LEU Y 31 0.7791 0.9311 1.0635 -0.1547 -0.0931 -0.1505 36 LEU e CB ? ? 1 +41424 C CG . LEU Y 31 0.7993 0.9345 1.0641 -0.1501 -0.0952 -0.1542 36 LEU e CG ? ? 1 +41425 C CD1 . LEU Y 31 0.8105 0.9463 1.0751 -0.1572 -0.1029 -0.1623 36 LEU e CD1 ? ? 1 +41426 C CD2 . LEU Y 31 0.8171 0.9287 1.0668 -0.1495 -0.0893 -0.1538 36 LEU e CD2 ? ? 1 +41427 C C . LEU Y 31 0.7481 0.9163 1.0526 -0.1532 -0.0840 -0.1396 36 LEU e C ? ? 1 +41428 O O . LEU Y 31 0.7542 0.9127 1.0585 -0.1585 -0.0793 -0.1391 36 LEU e O ? ? 1 +41429 N N . PHE Y 32 0.7273 0.9170 1.0467 -0.1522 -0.0870 -0.1376 37 PHE e N ? ? 1 +41430 C CA . PHE Y 32 0.7107 0.9141 1.0471 -0.1568 -0.0846 -0.1346 37 PHE e CA ? ? 1 +41431 C CB . PHE Y 32 0.6885 0.9150 1.0387 -0.1535 -0.0887 -0.1326 37 PHE e CB ? ? 1 +41432 C CG . PHE Y 32 0.6700 0.9124 1.0390 -0.1592 -0.0874 -0.1307 37 PHE e CG ? ? 1 +41433 C CD1 . PHE Y 32 0.6729 0.9179 1.0514 -0.1704 -0.0890 -0.1355 37 PHE e CD1 ? ? 1 +41434 C CD2 . PHE Y 32 0.6499 0.9045 1.0273 -0.1535 -0.0845 -0.1241 37 PHE e CD2 ? ? 1 +41435 C CE1 . PHE Y 32 0.6578 0.9173 1.0534 -0.1755 -0.0875 -0.1338 37 PHE e CE1 ? ? 1 +41436 C CE2 . PHE Y 32 0.6354 0.9038 1.0293 -0.1586 -0.0832 -0.1225 37 PHE e CE2 ? ? 1 +41437 C CZ . PHE Y 32 0.6399 0.9108 1.0428 -0.1695 -0.0846 -0.1272 37 PHE e CZ ? ? 1 +41438 C C . PHE Y 32 0.7084 0.9047 1.0424 -0.1530 -0.0766 -0.1281 37 PHE e C ? ? 1 +41439 O O . PHE Y 32 0.7061 0.9030 1.0481 -0.1593 -0.0730 -0.1270 37 PHE e O ? ? 1 +41440 N N . VAL Y 33 0.7098 0.8995 1.0327 -0.1426 -0.0739 -0.1240 38 VAL e N ? ? 1 +41441 C CA . VAL Y 33 0.7091 0.8903 1.0274 -0.1377 -0.0668 -0.1182 38 VAL e CA ? ? 1 +41442 C CB . VAL Y 33 0.7003 0.8856 1.0140 -0.1255 -0.0656 -0.1131 38 VAL e CB ? ? 1 +41443 C CG1 . VAL Y 33 0.7040 0.8766 1.0088 -0.1193 -0.0587 -0.1082 38 VAL e CG1 ? ? 1 +41444 C CG2 . VAL Y 33 0.6770 0.8852 1.0065 -0.1235 -0.0675 -0.1098 38 VAL e CG2 ? ? 1 +41445 C C . VAL Y 33 0.7323 0.8897 1.0356 -0.1399 -0.0633 -0.1203 38 VAL e C ? ? 1 +41446 O O . VAL Y 33 0.7359 0.8863 1.0403 -0.1440 -0.0585 -0.1185 38 VAL e O ? ? 1 +41447 N N . SER Y 34 0.7505 0.8950 1.0391 -0.1372 -0.0655 -0.1240 39 SER e N ? ? 1 +41448 C CA . SER Y 34 0.7731 0.8938 1.0448 -0.1364 -0.0618 -0.1251 39 SER e CA ? ? 1 +41449 C CB . SER Y 34 0.7874 0.8976 1.0437 -0.1306 -0.0646 -0.1283 39 SER e CB ? ? 1 +41450 O OG . SER Y 34 0.7982 0.9091 1.0545 -0.1376 -0.0707 -0.1352 39 SER e OG ? ? 1 +41451 C C . SER Y 34 0.7887 0.8982 1.0603 -0.1479 -0.0608 -0.1293 39 SER e C ? ? 1 +41452 O O . SER Y 34 0.8043 0.8953 1.0651 -0.1481 -0.0560 -0.1286 39 SER e O ? ? 1 +41453 N N . THR Y 35 0.7859 0.9068 1.0698 -0.1573 -0.0652 -0.1337 40 THR e N ? ? 1 +41454 C CA . THR Y 35 0.7980 0.9112 1.0848 -0.1691 -0.0640 -0.1375 40 THR e CA ? ? 1 +41455 C CB . THR Y 35 0.7992 0.9230 1.0954 -0.1779 -0.0709 -0.1443 40 THR e CB ? ? 1 +41456 O OG1 . THR Y 35 0.7780 0.9262 1.0926 -0.1783 -0.0736 -0.1424 40 THR e OG1 ? ? 1 +41457 C CG2 . THR Y 35 0.8116 0.9295 1.0962 -0.1747 -0.0766 -0.1492 40 THR e CG2 ? ? 1 +41458 C C . THR Y 35 0.7878 0.9065 1.0855 -0.1723 -0.0586 -0.1327 40 THR e C ? ? 1 +41459 O O . THR Y 35 0.7969 0.9072 1.0957 -0.1813 -0.0558 -0.1347 40 THR e O ? ? 1 +41460 N N . GLY Y 36 0.7695 0.9024 1.0751 -0.1650 -0.0570 -0.1266 41 GLY e N ? ? 1 +41461 C CA . GLY Y 36 0.7592 0.8988 1.0753 -0.1669 -0.0522 -0.1217 41 GLY e CA ? ? 1 +41462 C C . GLY Y 36 0.7462 0.9069 1.0823 -0.1746 -0.0551 -0.1231 41 GLY e C ? ? 1 +41463 O O . GLY Y 36 0.7368 0.9046 1.0829 -0.1771 -0.0513 -0.1195 41 GLY e O ? ? 1 +41464 N N . LEU Y 37 0.7465 0.9173 1.0883 -0.1781 -0.0618 -0.1284 42 LEU e N ? ? 1 +41465 C CA . LEU Y 37 0.7336 0.9238 1.0942 -0.1858 -0.0651 -0.1308 42 LEU e CA ? ? 1 +41466 C CB . LEU Y 37 0.7394 0.9362 1.1018 -0.1889 -0.0731 -0.1375 42 LEU e CB ? ? 1 +41467 C CG . LEU Y 37 0.7330 0.9471 1.1138 -0.1986 -0.0771 -0.1418 42 LEU e CG ? ? 1 +41468 C CD1 . LEU Y 37 0.7420 0.9491 1.1274 -0.2100 -0.0727 -0.1440 42 LEU e CD1 ? ? 1 +41469 C CD2 . LEU Y 37 0.7401 0.9577 1.1201 -0.2011 -0.0853 -0.1489 42 LEU e CD2 ? ? 1 +41470 C C . LEU Y 37 0.7093 0.9191 1.0830 -0.1806 -0.0644 -0.1250 42 LEU e C ? ? 1 +41471 O O . LEU Y 37 0.6990 0.9205 1.0872 -0.1864 -0.0630 -0.1242 42 LEU e O ? ? 1 +41472 N N . ALA Y 38 0.6992 0.9121 1.0676 -0.1695 -0.0649 -0.1209 43 ALA e N ? ? 1 +41473 C CA . ALA Y 38 0.6748 0.9054 1.0545 -0.1638 -0.0644 -0.1154 43 ALA e CA ? ? 1 +41474 C CB . ALA Y 38 0.6718 0.9012 1.0422 -0.1518 -0.0645 -0.1117 43 ALA e CB ? ? 1 +41475 C C . ALA Y 38 0.6648 0.8960 1.0508 -0.1656 -0.0579 -0.1106 43 ALA e C ? ? 1 +41476 O O . ALA Y 38 0.6493 0.8973 1.0502 -0.1672 -0.0580 -0.1084 43 ALA e O ? ? 1 +41477 N N . TYR Y 39 0.6736 0.8858 1.0478 -0.1653 -0.0524 -0.1089 44 TYR e N ? ? 1 +41478 C CA . TYR Y 39 0.6657 0.8757 1.0436 -0.1671 -0.0462 -0.1045 44 TYR e CA ? ? 1 +41479 C CB . TYR Y 39 0.6841 0.8702 1.0455 -0.1659 -0.0410 -0.1034 44 TYR e CB ? ? 1 +41480 C CG . TYR Y 39 0.6863 0.8631 1.0339 -0.1542 -0.0399 -0.1000 44 TYR e CG ? ? 1 +41481 C CD1 . TYR Y 39 0.6737 0.8551 1.0225 -0.1460 -0.0365 -0.0935 44 TYR e CD1 ? ? 1 +41482 C CD2 . TYR Y 39 0.7022 0.8652 1.0354 -0.1515 -0.0419 -0.1034 44 TYR e CD2 ? ? 1 +41483 C CE1 . TYR Y 39 0.6765 0.8497 1.0132 -0.1353 -0.0353 -0.0905 44 TYR e CE1 ? ? 1 +41484 C CE2 . TYR Y 39 0.7047 0.8593 1.0255 -0.1408 -0.0405 -0.1004 44 TYR e CE2 ? ? 1 +41485 C CZ . TYR Y 39 0.6918 0.8518 1.0148 -0.1327 -0.0371 -0.0940 44 TYR e CZ ? ? 1 +41486 O OH . TYR Y 39 0.6953 0.8476 1.0067 -0.1222 -0.0357 -0.0913 44 TYR e OH ? ? 1 +41487 C C . TYR Y 39 0.6600 0.8784 1.0519 -0.1785 -0.0459 -0.1071 44 TYR e C ? ? 1 +41488 O O . TYR Y 39 0.6453 0.8745 1.0482 -0.1792 -0.0432 -0.1034 44 TYR e O ? ? 1 +41489 N N . ASP Y 40 0.6719 0.8853 1.0634 -0.1873 -0.0486 -0.1137 45 ASP e N ? ? 1 +41490 C CA . ASP Y 40 0.6703 0.8898 1.0745 -0.1989 -0.0477 -0.1168 45 ASP e CA ? ? 1 +41491 C CB . ASP Y 40 0.6913 0.8966 1.0888 -0.2081 -0.0488 -0.1236 45 ASP e CB ? ? 1 +41492 C CG . ASP Y 40 0.7117 0.8912 1.0911 -0.2073 -0.0434 -0.1224 45 ASP e CG ? ? 1 +41493 O OD1 . ASP Y 40 0.7105 0.8839 1.0870 -0.2046 -0.0373 -0.1170 45 ASP e OD1 ? ? 1 +41494 O OD2 . ASP Y 40 0.7305 0.8955 1.0982 -0.2095 -0.0453 -0.1271 45 ASP e OD2 ? ? 1 +41495 C C . ASP Y 40 0.6500 0.8945 1.0732 -0.2012 -0.0524 -0.1181 45 ASP e C ? ? 1 +41496 O O . ASP Y 40 0.6431 0.8976 1.0794 -0.2070 -0.0500 -0.1172 45 ASP e O ? ? 1 +41497 N N . VAL Y 41 0.6412 0.8956 1.0655 -0.1963 -0.0590 -0.1200 46 VAL e N ? ? 1 +41498 C CA . VAL Y 41 0.6218 0.8994 1.0630 -0.1974 -0.0641 -0.1212 46 VAL e CA ? ? 1 +41499 C CB . VAL Y 41 0.6213 0.9046 1.0591 -0.1921 -0.0716 -0.1241 46 VAL e CB ? ? 1 +41500 C CG1 . VAL Y 41 0.6028 0.9100 1.0568 -0.1910 -0.0766 -0.1242 46 VAL e CG1 ? ? 1 +41501 C CG2 . VAL Y 41 0.6405 0.9135 1.0715 -0.1985 -0.0755 -0.1316 46 VAL e CG2 ? ? 1 +41502 C C . VAL Y 41 0.6002 0.8907 1.0508 -0.1923 -0.0609 -0.1146 46 VAL e C ? ? 1 +41503 O O . VAL Y 41 0.5891 0.8944 1.0553 -0.1974 -0.0607 -0.1147 46 VAL e O ? ? 1 +41504 N N . PHE Y 42 0.5943 0.8793 1.0355 -0.1823 -0.0583 -0.1089 47 PHE e N ? ? 1 +41505 C CA . PHE Y 42 0.5727 0.8708 1.0222 -0.1763 -0.0562 -0.1028 47 PHE e CA ? ? 1 +41506 C CB . PHE Y 42 0.5663 0.8649 1.0077 -0.1648 -0.0581 -0.0995 47 PHE e CB ? ? 1 +41507 C CG . PHE Y 42 0.5630 0.8714 1.0064 -0.1631 -0.0655 -0.1033 47 PHE e CG ? ? 1 +41508 C CD1 . PHE Y 42 0.5476 0.8763 1.0062 -0.1644 -0.0697 -0.1040 47 PHE e CD1 ? ? 1 +41509 C CD2 . PHE Y 42 0.5762 0.8730 1.0059 -0.1601 -0.0683 -0.1063 47 PHE e CD2 ? ? 1 +41510 C CE1 . PHE Y 42 0.5462 0.8831 1.0059 -0.1626 -0.0766 -0.1075 47 PHE e CE1 ? ? 1 +41511 C CE2 . PHE Y 42 0.5746 0.8797 1.0053 -0.1583 -0.0752 -0.1097 47 PHE e CE2 ? ? 1 +41512 C CZ . PHE Y 42 0.5599 0.8849 1.0055 -0.1596 -0.0794 -0.1103 47 PHE e CZ ? ? 1 +41513 C C . PHE Y 42 0.5715 0.8628 1.0207 -0.1774 -0.0488 -0.0981 47 PHE e C ? ? 1 +41514 O O . PHE Y 42 0.5555 0.8593 1.0148 -0.1755 -0.0470 -0.0940 47 PHE e O ? ? 1 +41515 N N . GLY Y 43 0.5888 0.8605 1.0264 -0.1808 -0.0446 -0.0989 48 GLY e N ? ? 1 +41516 C CA . GLY Y 43 0.5909 0.8542 1.0269 -0.1824 -0.0376 -0.0949 48 GLY e CA ? ? 1 +41517 C C . GLY Y 43 0.5908 0.8453 1.0156 -0.1720 -0.0340 -0.0887 48 GLY e C ? ? 1 +41518 O O . GLY Y 43 0.5864 0.8399 1.0126 -0.1707 -0.0291 -0.0841 48 GLY e O ? ? 1 +41519 N N . THR Y 44 0.5970 0.8450 1.0107 -0.1645 -0.0365 -0.0889 49 THR e N ? ? 1 +41520 C CA . THR Y 44 0.5954 0.8373 0.9995 -0.1537 -0.0340 -0.0836 49 THR e CA ? ? 1 +41521 C CB . THR Y 44 0.5912 0.8382 0.9917 -0.1463 -0.0388 -0.0843 49 THR e CB ? ? 1 +41522 O OG1 . THR Y 44 0.5743 0.8425 0.9897 -0.1474 -0.0431 -0.0850 49 THR e OG1 ? ? 1 +41523 C CG2 . THR Y 44 0.5883 0.8307 0.9800 -0.1350 -0.0363 -0.0791 49 THR e CG2 ? ? 1 +41524 C C . THR Y 44 0.6160 0.8344 1.0039 -0.1531 -0.0293 -0.0829 49 THR e C ? ? 1 +41525 O O . THR Y 44 0.6342 0.8389 1.0127 -0.1569 -0.0302 -0.0873 49 THR e O ? ? 1 +41526 N N . PRO Y 45 0.6154 0.8278 0.9992 -0.1483 -0.0242 -0.0774 50 PRO e N ? ? 1 +41527 C CA . PRO Y 45 0.6348 0.8242 1.0026 -0.1470 -0.0198 -0.0765 50 PRO e CA ? ? 1 +41528 C CB . PRO Y 45 0.6262 0.8166 0.9944 -0.1409 -0.0154 -0.0700 50 PRO e CB ? ? 1 +41529 C CG . PRO Y 45 0.6048 0.8172 0.9906 -0.1428 -0.0167 -0.0682 50 PRO e CG ? ? 1 +41530 C CD . PRO Y 45 0.5966 0.8233 0.9904 -0.1439 -0.0227 -0.0721 50 PRO e CD ? ? 1 +41531 C C . PRO Y 45 0.6477 0.8247 1.0007 -0.1402 -0.0215 -0.0780 50 PRO e C ? ? 1 +41532 O O . PRO Y 45 0.6394 0.8250 0.9929 -0.1319 -0.0240 -0.0763 50 PRO e O ? ? 1 +41533 N N A ARG Y 46 0.6692 0.8259 1.0092 -0.1437 -0.0199 -0.0811 51 ARG e N ? ? 1 +41534 N N B ARG Y 46 0.6701 0.8268 1.0101 -0.1438 -0.0199 -0.0811 51 ARG e N ? ? 1 +41535 C CA A ARG Y 46 0.6835 0.8244 1.0070 -0.1365 -0.0199 -0.0816 51 ARG e CA ? ? 1 +41536 C CA B ARG Y 46 0.6851 0.8259 1.0085 -0.1366 -0.0199 -0.0816 51 ARG e CA ? ? 1 +41537 C C A ARG Y 46 0.6844 0.8176 1.0003 -0.1274 -0.0154 -0.0757 51 ARG e C ? ? 1 +41538 C C B ARG Y 46 0.6849 0.8184 1.0010 -0.1273 -0.0155 -0.0756 51 ARG e C ? ? 1 +41539 O O A ARG Y 46 0.6788 0.8138 0.9995 -0.1289 -0.0119 -0.0721 51 ARG e O ? ? 1 +41540 O O B ARG Y 46 0.6781 0.8145 0.9996 -0.1285 -0.0121 -0.0719 51 ARG e O ? ? 1 +41541 C CB A ARG Y 46 0.7067 0.8276 1.0186 -0.1436 -0.0193 -0.0867 51 ARG e CB ? ? 1 +41542 C CB B ARG Y 46 0.7098 0.8303 1.0214 -0.1436 -0.0192 -0.0867 51 ARG e CB ? ? 1 +41543 C CG A ARG Y 46 0.7080 0.8358 1.0265 -0.1523 -0.0243 -0.0932 51 ARG e CG ? ? 1 +41544 C CG B ARG Y 46 0.7124 0.8397 1.0307 -0.1524 -0.0241 -0.0931 51 ARG e CG ? ? 1 +41545 C CD A ARG Y 46 0.7289 0.8391 1.0399 -0.1621 -0.0229 -0.0980 51 ARG e CD ? ? 1 +41546 C CD B ARG Y 46 0.7371 0.8440 1.0438 -0.1596 -0.0234 -0.0983 51 ARG e CD ? ? 1 +41547 N NE A ARG Y 46 0.7306 0.8474 1.0474 -0.1697 -0.0282 -0.1045 51 ARG e NE ? ? 1 +41548 N NE B ARG Y 46 0.7388 0.8538 1.0537 -0.1689 -0.0283 -0.1046 51 ARG e NE ? ? 1 +41549 C CZ A ARG Y 46 0.7218 0.8519 1.0536 -0.1793 -0.0299 -0.1073 51 ARG e CZ ? ? 1 +41550 C CZ B ARG Y 46 0.7491 0.8595 1.0573 -0.1690 -0.0327 -0.1096 51 ARG e CZ ? ? 1 +41551 N NH1 A ARG Y 46 0.7082 0.8490 1.0520 -0.1820 -0.0269 -0.1038 51 ARG e NH1 ? ? 1 +41552 N NH1 B ARG Y 46 0.7584 0.8570 1.0518 -0.1603 -0.0330 -0.1091 51 ARG e NH1 ? ? 1 +41553 N NH2 A ARG Y 46 0.7272 0.8603 1.0621 -0.1861 -0.0348 -0.1137 51 ARG e NH2 ? ? 1 +41554 N NH2 B ARG Y 46 0.7499 0.8680 1.0664 -0.1780 -0.0372 -0.1155 51 ARG e NH2 ? ? 1 +41555 N N . PRO Y 47 0.6920 0.8161 0.9956 -0.1177 -0.0153 -0.0746 52 PRO e N ? ? 1 +41556 C CA . PRO Y 47 0.6925 0.8103 0.9895 -0.1084 -0.0115 -0.0691 52 PRO e CA ? ? 1 +41557 C CB . PRO Y 47 0.7030 0.8098 0.9861 -0.0999 -0.0123 -0.0702 52 PRO e CB ? ? 1 +41558 C CG . PRO Y 47 0.6991 0.8155 0.9865 -0.1025 -0.0175 -0.0748 52 PRO e CG ? ? 1 +41559 C CD . PRO Y 47 0.7006 0.8200 0.9960 -0.1151 -0.0189 -0.0786 52 PRO e CD ? ? 1 +41560 C C . PRO Y 47 0.7064 0.8081 0.9964 -0.1115 -0.0063 -0.0671 52 PRO e C ? ? 1 +41561 O O . PRO Y 47 0.7015 0.8030 0.9908 -0.1056 -0.0034 -0.0621 52 PRO e O ? ? 1 +41562 N N . ASP Y 48 0.7252 0.8135 1.0101 -0.1209 -0.0053 -0.0710 53 ASP e N ? ? 1 +41563 C CA . ASP Y 48 0.7414 0.8131 1.0189 -0.1249 -0.0003 -0.0695 53 ASP e CA ? ? 1 +41564 C CB . ASP Y 48 0.7671 0.8155 1.0292 -0.1291 0.0007 -0.0739 53 ASP e CB ? ? 1 +41565 C CG . ASP Y 48 0.7709 0.8218 1.0381 -0.1403 -0.0024 -0.0802 53 ASP e CG ? ? 1 +41566 O OD1 . ASP Y 48 0.7547 0.8254 1.0380 -0.1453 -0.0051 -0.0812 53 ASP e OD1 ? ? 1 +41567 O OD2 . ASP Y 48 0.7913 0.8243 1.0465 -0.1438 -0.0021 -0.0842 53 ASP e OD2 ? ? 1 +41568 C C . ASP Y 48 0.7366 0.8173 1.0269 -0.1349 0.0014 -0.0692 53 ASP e C ? ? 1 +41569 O O . ASP Y 48 0.7489 0.8153 1.0332 -0.1401 0.0057 -0.0687 53 ASP e O ? ? 1 +41570 N N . SER Y 49 0.7203 0.8243 1.0278 -0.1374 -0.0018 -0.0694 54 SER e N ? ? 1 +41571 C CA . SER Y 49 0.7165 0.8303 1.0371 -0.1469 -0.0004 -0.0696 54 SER e CA ? ? 1 +41572 C CB . SER Y 49 0.7183 0.8389 1.0469 -0.1571 -0.0040 -0.0759 54 SER e CB ? ? 1 +41573 O OG . SER Y 49 0.7407 0.8418 1.0561 -0.1607 -0.0040 -0.0803 54 SER e OG ? ? 1 +41574 C C . SER Y 49 0.6964 0.8313 1.0316 -0.1435 -0.0007 -0.0652 54 SER e C ? ? 1 +41575 O O . SER Y 49 0.6887 0.8369 1.0376 -0.1510 -0.0010 -0.0661 54 SER e O ? ? 1 +41576 N N . TYR Y 50 0.6910 0.8288 1.0233 -0.1325 -0.0005 -0.0606 55 TYR e N ? ? 1 +41577 C CA . TYR Y 50 0.6741 0.8288 1.0181 -0.1289 0.0000 -0.0560 55 TYR e CA ? ? 1 +41578 C CB . TYR Y 50 0.6610 0.8214 1.0028 -0.1164 -0.0015 -0.0524 55 TYR e CB ? ? 1 +41579 C CG . TYR Y 50 0.6445 0.8200 0.9933 -0.1138 -0.0067 -0.0547 55 TYR e CG ? ? 1 +41580 C CD1 . TYR Y 50 0.6207 0.8182 0.9853 -0.1144 -0.0093 -0.0537 55 TYR e CD1 ? ? 1 +41581 C CD2 . TYR Y 50 0.6544 0.8212 0.9933 -0.1110 -0.0090 -0.0579 55 TYR e CD2 ? ? 1 +41582 C CE1 . TYR Y 50 0.6099 0.8203 0.9802 -0.1122 -0.0140 -0.0558 55 TYR e CE1 ? ? 1 +41583 C CE2 . TYR Y 50 0.6439 0.8237 0.9884 -0.1089 -0.0136 -0.0600 55 TYR e CE2 ? ? 1 +41584 C CZ . TYR Y 50 0.6223 0.8237 0.9823 -0.1094 -0.0161 -0.0589 55 TYR e CZ ? ? 1 +41585 O OH . TYR Y 50 0.6158 0.8290 0.9802 -0.1068 -0.0206 -0.0607 55 TYR e OH ? ? 1 +41586 C C . TYR Y 50 0.6893 0.8354 1.0309 -0.1313 0.0053 -0.0525 55 TYR e C ? ? 1 +41587 O O . TYR Y 50 0.6777 0.8367 1.0312 -0.1346 0.0063 -0.0506 55 TYR e O ? ? 1 +41588 N N . TYR Y 51 0.7245 0.8483 1.0499 -0.1291 0.0088 -0.0517 56 TYR e N ? ? 1 +41589 C CA . TYR Y 51 0.7463 0.8586 1.0659 -0.1300 0.0140 -0.0480 56 TYR e CA ? ? 1 +41590 C CB . TYR Y 51 0.7460 0.8517 1.0561 -0.1179 0.0153 -0.0431 56 TYR e CB ? ? 1 +41591 C CG . TYR Y 51 0.7212 0.8472 1.0426 -0.1104 0.0132 -0.0394 56 TYR e CG ? ? 1 +41592 C CD1 . TYR Y 51 0.7079 0.8458 1.0400 -0.1126 0.0147 -0.0363 56 TYR e CD1 ? ? 1 +41593 C CD2 . TYR Y 51 0.7127 0.8453 1.0334 -0.1009 0.0100 -0.0389 56 TYR e CD2 ? ? 1 +41594 C CE1 . TYR Y 51 0.6889 0.8446 1.0309 -0.1057 0.0128 -0.0330 56 TYR e CE1 ? ? 1 +41595 C CE2 . TYR Y 51 0.6921 0.8428 1.0230 -0.0942 0.0083 -0.0355 56 TYR e CE2 ? ? 1 +41596 C CZ . TYR Y 51 0.6809 0.8430 1.0224 -0.0967 0.0096 -0.0326 56 TYR e CZ ? ? 1 +41597 O OH . TYR Y 51 0.6646 0.8440 1.0158 -0.0902 0.0079 -0.0293 56 TYR e OH ? ? 1 +41598 C C . TYR Y 51 0.7911 0.8800 1.0976 -0.1369 0.0175 -0.0506 56 TYR e C ? ? 1 +41599 O O . TYR Y 51 0.8089 0.8862 1.1058 -0.1369 0.0161 -0.0541 56 TYR e O ? ? 1 +41600 N N . ALA Y 52 0.8215 0.9028 1.1266 -0.1425 0.0223 -0.0487 57 ALA e N ? ? 1 +41601 C CA . ALA Y 52 0.8659 0.9217 1.1553 -0.1467 0.0267 -0.0496 57 ALA e CA ? ? 1 +41602 C CB . ALA Y 52 0.8700 0.9230 1.1630 -0.1558 0.0317 -0.0485 57 ALA e CB ? ? 1 +41603 C C . ALA Y 52 0.8949 0.9347 1.1680 -0.1352 0.0281 -0.0458 57 ALA e C ? ? 1 +41604 O O . ALA Y 52 0.8866 0.9365 1.1627 -0.1254 0.0266 -0.0420 57 ALA e O ? ? 1 +41605 N N . GLN Y 53 0.9398 0.9546 1.1956 -0.1361 0.0309 -0.0471 58 GLN e N ? ? 1 +41606 C CA . GLN Y 53 0.9746 0.9736 1.2142 -0.1249 0.0312 -0.0448 58 GLN e CA ? ? 1 +41607 C CB . GLN Y 53 0.9984 0.9685 1.2195 -0.1288 0.0350 -0.0466 58 GLN e CB ? ? 1 +41608 C CG . GLN Y 53 1.0113 0.9630 1.2143 -0.1177 0.0351 -0.0452 58 GLN e CG ? ? 1 +41609 C CD . GLN Y 53 1.0035 0.9650 1.2086 -0.1099 0.0301 -0.0471 58 GLN e CD ? ? 1 +41610 O OE1 . GLN Y 53 0.9990 0.9704 1.2120 -0.1150 0.0268 -0.0515 58 GLN e OE1 ? ? 1 +41611 N NE2 . GLN Y 53 1.0053 0.9643 1.2035 -0.0971 0.0295 -0.0438 58 GLN e NE2 ? ? 1 +41612 C C . GLN Y 53 0.9966 0.9981 1.2345 -0.1147 0.0325 -0.0387 58 GLN e C ? ? 1 +41613 O O . GLN Y 53 0.9967 1.0003 1.2309 -0.1035 0.0303 -0.0368 58 GLN e O ? ? 1 +41614 N N . GLU Y 54 1.0287 1.0301 1.2694 -0.1187 0.0362 -0.0356 59 GLU e N ? ? 1 +41615 C CA . GLU Y 54 1.0550 1.0551 1.2917 -0.1099 0.0379 -0.0299 59 GLU e CA ? ? 1 +41616 C CB . GLU Y 54 1.0921 1.0677 1.3134 -0.1127 0.0436 -0.0279 59 GLU e CB ? ? 1 +41617 C CG . GLU Y 54 1.1347 1.0835 1.3360 -0.1109 0.0452 -0.0296 59 GLU e CG ? ? 1 +41618 C CD . GLU Y 54 1.1594 1.1022 1.3505 -0.0971 0.0427 -0.0281 59 GLU e CD ? ? 1 +41619 O OE1 . GLU Y 54 1.1652 1.1243 1.3641 -0.0882 0.0400 -0.0252 59 GLU e OE1 ? ? 1 +41620 O OE2 . GLU Y 54 1.1876 1.1098 1.3632 -0.0954 0.0435 -0.0300 59 GLU e OE2 ? ? 1 +41621 C C . GLU Y 54 1.0575 1.0813 1.3113 -0.1096 0.0368 -0.0271 59 GLU e C ? ? 1 +41622 O O . GLU Y 54 1.0803 1.1063 1.3325 -0.1012 0.0372 -0.0226 59 GLU e O ? ? 1 +41623 N N . GLN Y 55 1.0650 1.1068 1.3351 -0.1183 0.0353 -0.0298 60 GLN e N ? ? 1 +41624 C CA . GLN Y 55 1.0570 1.1218 1.3437 -0.1180 0.0341 -0.0274 60 GLN e CA ? ? 1 +41625 C CB . GLN Y 55 1.0596 1.1383 1.3615 -0.1301 0.0339 -0.0307 60 GLN e CB ? ? 1 +41626 C CG . GLN Y 55 1.0539 1.1455 1.3651 -0.1328 0.0289 -0.0356 60 GLN e CG ? ? 1 +41627 C CD . GLN Y 55 1.0343 1.1469 1.3643 -0.1413 0.0273 -0.0380 60 GLN e CD ? ? 1 +41628 O OE1 . GLN Y 55 1.0068 1.1289 1.3441 -0.1447 0.0234 -0.0422 60 GLN e OE1 ? ? 1 +41629 N NE2 . GLN Y 55 1.0458 1.1664 1.3842 -0.1450 0.0300 -0.0355 60 GLN e NE2 ? ? 1 +41630 C C . GLN Y 55 1.0498 1.1321 1.3442 -0.1083 0.0291 -0.0264 60 GLN e C ? ? 1 +41631 O O . GLN Y 55 1.0550 1.1353 1.3453 -0.1042 0.0263 -0.0288 60 GLN e O ? ? 1 +41632 N N . ARG Y 56 1.0585 1.1578 1.3638 -0.1047 0.0284 -0.0230 61 ARG e N ? ? 1 +41633 C CA . ARG Y 56 1.0647 1.1840 1.3807 -0.0974 0.0239 -0.0222 61 ARG e CA ? ? 1 +41634 C CB . ARG Y 56 1.1098 1.2256 1.4182 -0.0846 0.0236 -0.0180 61 ARG e CB ? ? 1 +41635 C CG . ARG Y 56 1.1829 1.2781 1.4739 -0.0785 0.0242 -0.0187 61 ARG e CG ? ? 1 +41636 C CD . ARG Y 56 1.2418 1.3319 1.5247 -0.0664 0.0245 -0.0144 61 ARG e CD ? ? 1 +41637 N NE . ARG Y 56 1.3129 1.3786 1.5769 -0.0621 0.0265 -0.0145 61 ARG e NE ? ? 1 +41638 C CZ . ARG Y 56 1.3801 1.4251 1.6317 -0.0666 0.0304 -0.0141 61 ARG e CZ ? ? 1 +41639 N NH1 . ARG Y 56 1.3873 1.4328 1.6428 -0.0744 0.0333 -0.0130 61 ARG e NH1 ? ? 1 +41640 N NH2 . ARG Y 56 1.4004 1.4235 1.6350 -0.0630 0.0317 -0.0150 61 ARG e NH2 ? ? 1 +41641 C C . ARG Y 56 0.9875 1.1296 1.3219 -0.1019 0.0227 -0.0216 61 ARG e C ? ? 1 +41642 O O . ARG Y 56 0.9769 1.1359 1.3206 -0.0958 0.0198 -0.0199 61 ARG e O ? ? 1 +41643 N N . SER Y 57 0.9519 1.0945 1.2917 -0.1127 0.0251 -0.0233 62 SER e N ? ? 1 +41644 C CA . SER Y 57 0.9106 1.0743 1.2680 -0.1180 0.0240 -0.0235 62 SER e CA ? ? 1 +41645 C CB . SER Y 57 0.9181 1.0759 1.2761 -0.1268 0.0288 -0.0230 62 SER e CB ? ? 1 +41646 O OG . SER Y 57 0.9071 1.0849 1.2823 -0.1324 0.0281 -0.0235 62 SER e OG ? ? 1 +41647 C C . SER Y 57 0.8748 1.0510 1.2424 -0.1231 0.0200 -0.0283 62 SER e C ? ? 1 +41648 O O . SER Y 57 0.9124 1.0780 1.2742 -0.1282 0.0199 -0.0323 62 SER e O ? ? 1 +41649 N N . ILE Y 58 0.8051 1.0034 1.1875 -0.1214 0.0166 -0.0280 63 ILE e N ? ? 1 +41650 C CA . ILE Y 58 0.7666 0.9779 1.1589 -0.1251 0.0122 -0.0322 63 ILE e CA ? ? 1 +41651 C CB . ILE Y 58 0.7539 0.9858 1.1572 -0.1183 0.0082 -0.0305 63 ILE e CB ? ? 1 +41652 C CG1 . ILE Y 58 0.7654 0.9928 1.1597 -0.1069 0.0066 -0.0285 63 ILE e CG1 ? ? 1 +41653 C CG2 . ILE Y 58 0.7439 0.9907 1.1589 -0.1231 0.0039 -0.0346 63 ILE e CG2 ? ? 1 +41654 C CD1 . ILE Y 58 0.7918 0.9992 1.1703 -0.1017 0.0101 -0.0258 63 ILE e CD1 ? ? 1 +41655 C C . ILE Y 58 0.7403 0.9572 1.1425 -0.1369 0.0136 -0.0351 63 ILE e C ? ? 1 +41656 O O . ILE Y 58 0.7268 0.9485 1.1349 -0.1396 0.0164 -0.0327 63 ILE e O ? ? 1 +41657 N N . PRO Y 59 0.7284 0.9443 1.1324 -0.1442 0.0117 -0.0403 64 PRO e N ? ? 1 +41658 C CA . PRO Y 59 0.7187 0.9407 1.1332 -0.1556 0.0129 -0.0435 64 PRO e CA ? ? 1 +41659 C CB . PRO Y 59 0.7362 0.9477 1.1447 -0.1613 0.0114 -0.0490 64 PRO e CB ? ? 1 +41660 C CG . PRO Y 59 0.7327 0.9449 1.1357 -0.1524 0.0068 -0.0493 64 PRO e CG ? ? 1 +41661 C CD . PRO Y 59 0.7340 0.9421 1.1297 -0.1419 0.0086 -0.0436 64 PRO e CD ? ? 1 +41662 C C . PRO Y 59 0.6873 0.9342 1.1201 -0.1567 0.0093 -0.0441 64 PRO e C ? ? 1 +41663 O O . PRO Y 59 0.6853 0.9419 1.1259 -0.1605 0.0053 -0.0483 64 PRO e O ? ? 1 +41664 N N . LEU Y 60 0.6642 0.9208 1.1033 -0.1530 0.0108 -0.0397 65 LEU e N ? ? 1 +41665 C CA . LEU Y 60 0.6411 0.9208 1.0966 -0.1526 0.0075 -0.0396 65 LEU e CA ? ? 1 +41666 C CB . LEU Y 60 0.6273 0.9138 1.0846 -0.1445 0.0084 -0.0340 65 LEU e CB ? ? 1 +41667 C CG . LEU Y 60 0.6102 0.9154 1.0773 -0.1383 0.0036 -0.0332 65 LEU e CG ? ? 1 +41668 C CD1 . LEU Y 60 0.6151 0.9141 1.0720 -0.1279 0.0022 -0.0307 65 LEU e CD1 ? ? 1 +41669 C CD2 . LEU Y 60 0.5937 0.9144 1.0730 -0.1379 0.0044 -0.0302 65 LEU e CD2 ? ? 1 +41670 C C . LEU Y 60 0.6368 0.9253 1.1047 -0.1631 0.0091 -0.0422 65 LEU e C ? ? 1 +41671 O O . LEU Y 60 0.6379 0.9180 1.1035 -0.1683 0.0142 -0.0413 65 LEU e O ? ? 1 +41672 N N . VAL Y 61 0.6299 0.9354 1.1110 -0.1660 0.0045 -0.0456 66 VAL e N ? ? 1 +41673 C CA . VAL Y 61 0.6308 0.9489 1.1264 -0.1748 0.0052 -0.0481 66 VAL e CA ? ? 1 +41674 C CB . VAL Y 61 0.6224 0.9555 1.1287 -0.1769 -0.0011 -0.0528 66 VAL e CB ? ? 1 +41675 C CG1 . VAL Y 61 0.6154 0.9662 1.1392 -0.1836 -0.0014 -0.0548 66 VAL e CG1 ? ? 1 +41676 C CG2 . VAL Y 61 0.6378 0.9590 1.1365 -0.1814 -0.0027 -0.0578 66 VAL e CG2 ? ? 1 +41677 C C . VAL Y 61 0.6200 0.9494 1.1240 -0.1725 0.0075 -0.0439 66 VAL e C ? ? 1 +41678 O O . VAL Y 61 0.6126 0.9524 1.1199 -0.1646 0.0048 -0.0409 66 VAL e O ? ? 1 +41679 N N . THR Y 62 0.6251 0.9522 1.1323 -0.1795 0.0126 -0.0436 67 THR e N ? ? 1 +41680 C CA . THR Y 62 0.6121 0.9477 1.1257 -0.1776 0.0155 -0.0395 67 THR e CA ? ? 1 +41681 C CB . THR Y 62 0.6217 0.9394 1.1220 -0.1761 0.0215 -0.0354 67 THR e CB ? ? 1 +41682 O OG1 . THR Y 62 0.6339 0.9402 1.1313 -0.1859 0.0262 -0.0380 67 THR e OG1 ? ? 1 +41683 C CG2 . THR Y 62 0.6286 0.9317 1.1131 -0.1674 0.0205 -0.0329 67 THR e CG2 ? ? 1 +41684 C C . THR Y 62 0.6073 0.9571 1.1366 -0.1859 0.0168 -0.0418 67 THR e C ? ? 1 +41685 O O . THR Y 62 0.5998 0.9572 1.1351 -0.1849 0.0194 -0.0388 67 THR e O ? ? 1 +41686 N N . ASP Y 63 0.6167 0.9705 1.1529 -0.1939 0.0151 -0.0473 68 ASP e N ? ? 1 +41687 C CA . ASP Y 63 0.6142 0.9828 1.1665 -0.2018 0.0160 -0.0502 68 ASP e CA ? ? 1 +41688 C CB . ASP Y 63 0.6489 1.0055 1.1985 -0.2121 0.0219 -0.0525 68 ASP e CB ? ? 1 +41689 C CG . ASP Y 63 0.6593 1.0309 1.2253 -0.2197 0.0240 -0.0546 68 ASP e CG ? ? 1 +41690 O OD2 . ASP Y 63 0.6646 1.0467 1.2418 -0.2259 0.0208 -0.0600 68 ASP e OD2 ? ? 1 +41691 O OD1 . ASP Y 63 0.6769 1.0508 1.2451 -0.2190 0.0284 -0.0510 68 ASP e OD1 ? ? 1 +41692 C C . ASP Y 63 0.5932 0.9774 1.1572 -0.2034 0.0093 -0.0550 68 ASP e C ? ? 1 +41693 O O . ASP Y 63 0.6025 0.9805 1.1608 -0.2037 0.0058 -0.0581 68 ASP e O ? ? 1 +41694 N N . ARG Y 64 0.5665 0.9706 1.1465 -0.2044 0.0074 -0.0557 69 ARG e N ? ? 1 +41695 C CA . ARG Y 64 0.5451 0.9654 1.1368 -0.2051 0.0007 -0.0600 69 ARG e CA ? ? 1 +41696 C CB . ARG Y 64 0.5139 0.9552 1.1213 -0.2034 -0.0007 -0.0589 69 ARG e CB ? ? 1 +41697 C CG . ARG Y 64 0.4943 0.9525 1.1135 -0.2035 -0.0079 -0.0631 69 ARG e CG ? ? 1 +41698 C CD . ARG Y 64 0.4671 0.9442 1.0990 -0.1992 -0.0099 -0.0612 69 ARG e CD ? ? 1 +41699 N NE . ARG Y 64 0.4534 0.9462 1.0967 -0.1999 -0.0167 -0.0657 69 ARG e NE ? ? 1 +41700 C CZ . ARG Y 64 0.4305 0.9414 1.0867 -0.1975 -0.0196 -0.0655 69 ARG e CZ ? ? 1 +41701 N NH1 . ARG Y 64 0.4178 0.9340 1.0773 -0.1938 -0.0165 -0.0610 69 ARG e NH1 ? ? 1 +41702 N NH2 . ARG Y 64 0.4234 0.9472 1.0892 -0.1986 -0.0258 -0.0700 69 ARG e NH2 ? ? 1 +41703 C C . ARG Y 64 0.5562 0.9757 1.1526 -0.2152 0.0000 -0.0664 69 ARG e C ? ? 1 +41704 O O . ARG Y 64 0.5598 0.9774 1.1532 -0.2150 -0.0049 -0.0699 69 ARG e O ? ? 1 +41705 N N . PHE Y 65 0.5688 0.9897 1.1726 -0.2240 0.0050 -0.0681 70 PHE e N ? ? 1 +41706 C CA . PHE Y 65 0.5862 1.0105 1.1984 -0.2343 0.0043 -0.0747 70 PHE e CA ? ? 1 +41707 C CB . PHE Y 65 0.5708 1.0090 1.1991 -0.2412 0.0078 -0.0760 70 PHE e CB ? ? 1 +41708 C CG . PHE Y 65 0.5511 1.0096 1.1917 -0.2351 0.0044 -0.0741 70 PHE e CG ? ? 1 +41709 C CD1 . PHE Y 65 0.5418 1.0158 1.1920 -0.2327 -0.0034 -0.0774 70 PHE e CD1 ? ? 1 +41710 C CD2 . PHE Y 65 0.5450 1.0059 1.1864 -0.2313 0.0087 -0.0689 70 PHE e CD2 ? ? 1 +41711 C CE1 . PHE Y 65 0.5247 1.0163 1.1853 -0.2268 -0.0065 -0.0754 70 PHE e CE1 ? ? 1 +41712 C CE2 . PHE Y 65 0.5271 1.0058 1.1791 -0.2256 0.0055 -0.0671 70 PHE e CE2 ? ? 1 +41713 C CZ . PHE Y 65 0.5174 1.0111 1.1789 -0.2234 -0.0020 -0.0703 70 PHE e CZ ? ? 1 +41714 C C . PHE Y 65 0.6275 1.0308 1.2269 -0.2404 0.0078 -0.0767 70 PHE e C ? ? 1 +41715 O O . PHE Y 65 0.6403 1.0442 1.2440 -0.2479 0.0059 -0.0825 70 PHE e O ? ? 1 +41716 N N . GLU Y 66 0.6676 1.0522 1.2511 -0.2369 0.0127 -0.0721 71 GLU e N ? ? 1 +41717 C CA . GLU Y 66 0.7088 1.0711 1.2777 -0.2413 0.0160 -0.0734 71 GLU e CA ? ? 1 +41718 C CB . GLU Y 66 0.7479 1.0954 1.3079 -0.2433 0.0247 -0.0692 71 GLU e CB ? ? 1 +41719 C CG . GLU Y 66 0.7621 1.1205 1.3356 -0.2502 0.0297 -0.0693 71 GLU e CG ? ? 1 +41720 C CD . GLU Y 66 0.7901 1.1524 1.3739 -0.2626 0.0309 -0.0757 71 GLU e CD ? ? 1 +41721 O OE1 . GLU Y 66 0.8252 1.1714 1.3995 -0.2681 0.0324 -0.0786 71 GLU e OE1 ? ? 1 +41722 O OE2 . GLU Y 66 0.7967 1.1779 1.3980 -0.2669 0.0307 -0.0780 71 GLU e OE2 ? ? 1 +41723 C C . GLU Y 66 0.7062 1.0558 1.2596 -0.2332 0.0123 -0.0721 71 GLU e C ? ? 1 +41724 O O . GLU Y 66 0.7131 1.0421 1.2516 -0.2344 0.0153 -0.0718 71 GLU e O ? ? 1 +41725 N N . ALA Y 67 0.6850 1.0466 1.2417 -0.2249 0.0060 -0.0712 72 ALA e N ? ? 1 +41726 C CA . ALA Y 67 0.6836 1.0351 1.2267 -0.2163 0.0025 -0.0696 72 ALA e CA ? ? 1 +41727 C CB . ALA Y 67 0.6653 1.0336 1.2154 -0.2080 -0.0038 -0.0685 72 ALA e CB ? ? 1 +41728 C C . ALA Y 67 0.6964 1.0360 1.2317 -0.2208 0.0003 -0.0747 72 ALA e C ? ? 1 +41729 O O . ALA Y 67 0.7105 1.0325 1.2299 -0.2168 0.0010 -0.0733 72 ALA e O ? ? 1 +41730 N N . LYS Y 68 0.6878 1.0375 1.2347 -0.2289 -0.0027 -0.0807 73 LYS e N ? ? 1 +41731 C CA . LYS Y 68 0.7016 1.0416 1.2428 -0.2341 -0.0053 -0.0863 73 LYS e CA ? ? 1 +41732 C CB . LYS Y 68 0.7031 1.0591 1.2609 -0.2429 -0.0089 -0.0928 73 LYS e CB ? ? 1 +41733 C CG . LYS Y 68 0.7212 1.0697 1.2748 -0.2482 -0.0128 -0.0991 73 LYS e CG ? ? 1 +41734 C CD . LYS Y 68 0.7261 1.0908 1.2971 -0.2576 -0.0159 -0.1057 73 LYS e CD ? ? 1 +41735 C CE . LYS Y 68 0.7475 1.1068 1.3150 -0.2621 -0.0211 -0.1124 73 LYS e CE ? ? 1 +41736 N NZ . LYS Y 68 0.7755 1.1103 1.3271 -0.2665 -0.0167 -0.1133 73 LYS e NZ ? ? 1 +41737 C C . LYS Y 68 0.7259 1.0426 1.2534 -0.2393 0.0013 -0.0860 73 LYS e C ? ? 1 +41738 O O . LYS Y 68 0.7339 1.0339 1.2469 -0.2376 0.0005 -0.0869 73 LYS e O ? ? 1 +41739 N N . GLN Y 69 0.7395 1.0547 1.2712 -0.2456 0.0079 -0.0846 74 GLN e N ? ? 1 +41740 C CA . GLN Y 69 0.7670 1.0601 1.2861 -0.2511 0.0148 -0.0841 74 GLN e CA ? ? 1 +41741 C CB . GLN Y 69 0.7957 1.0934 1.3248 -0.2597 0.0212 -0.0839 74 GLN e CB ? ? 1 +41742 C CG . GLN Y 69 0.8475 1.1229 1.3646 -0.2670 0.0287 -0.0840 74 GLN e CG ? ? 1 +41743 C CD . GLN Y 69 0.8820 1.1633 1.4102 -0.2764 0.0350 -0.0845 74 GLN e CD ? ? 1 +41744 O OE1 . GLN Y 69 0.9012 1.1944 1.4439 -0.2858 0.0342 -0.0900 74 GLN e OE1 ? ? 1 +41745 N NE2 . GLN Y 69 0.8943 1.1674 1.4158 -0.2739 0.0415 -0.0788 74 GLN e NE2 ? ? 1 +41746 C C . GLN Y 69 0.7506 1.0258 1.2513 -0.2419 0.0176 -0.0781 74 GLN e C ? ? 1 +41747 O O . GLN Y 69 0.7641 1.0181 1.2494 -0.2429 0.0200 -0.0785 74 GLN e O ? ? 1 +41748 N N . GLN Y 70 0.7242 1.0078 1.2264 -0.2327 0.0172 -0.0727 75 GLN e N ? ? 1 +41749 C CA . GLN Y 70 0.7148 0.9839 1.2010 -0.2230 0.0190 -0.0672 75 GLN e CA ? ? 1 +41750 C CB . GLN Y 70 0.6970 0.9802 1.1890 -0.2137 0.0175 -0.0621 75 GLN e CB ? ? 1 +41751 C CG . GLN Y 70 0.6954 0.9790 1.1899 -0.2151 0.0237 -0.0580 75 GLN e CG ? ? 1 +41752 C CD . GLN Y 70 0.6812 0.9768 1.1796 -0.2055 0.0221 -0.0529 75 GLN e CD ? ? 1 +41753 O OE1 . GLN Y 70 0.6740 0.9775 1.1732 -0.1976 0.0167 -0.0522 75 GLN e OE1 ? ? 1 +41754 N NE2 . GLN Y 70 0.6833 0.9803 1.1841 -0.2060 0.0270 -0.0492 75 GLN e NE2 ? ? 1 +41755 C C . GLN Y 70 0.7161 0.9735 1.1893 -0.2177 0.0149 -0.0686 75 GLN e C ? ? 1 +41756 O O . GLN Y 70 0.7314 0.9683 1.1881 -0.2149 0.0180 -0.0666 75 GLN e O ? ? 1 +41757 N N . VAL Y 71 0.7038 0.9741 1.1841 -0.2159 0.0081 -0.0720 76 VAL e N ? ? 1 +41758 C CA . VAL Y 71 0.7170 0.9776 1.1856 -0.2106 0.0040 -0.0735 76 VAL e CA ? ? 1 +41759 C CB . VAL Y 71 0.7008 0.9792 1.1790 -0.2077 -0.0038 -0.0766 76 VAL e CB ? ? 1 +41760 C CG1 . VAL Y 71 0.7116 0.9787 1.1768 -0.2028 -0.0076 -0.0785 76 VAL e CG1 ? ? 1 +41761 C CG2 . VAL Y 71 0.6818 0.9779 1.1691 -0.1998 -0.0058 -0.0723 76 VAL e CG2 ? ? 1 +41762 C C . VAL Y 71 0.7515 0.9927 1.2096 -0.2183 0.0060 -0.0778 76 VAL e C ? ? 1 +41763 O O . VAL Y 71 0.7721 0.9949 1.2137 -0.2138 0.0068 -0.0769 76 VAL e O ? ? 1 +41764 N N . GLU Y 72 0.7689 1.0143 1.2366 -0.2298 0.0070 -0.0825 77 GLU e N ? ? 1 +41765 C CA . GLU Y 72 0.7987 1.0264 1.2579 -0.2383 0.0093 -0.0868 77 GLU e CA ? ? 1 +41766 C CB . GLU Y 72 0.8117 1.0505 1.2864 -0.2510 0.0095 -0.0924 77 GLU e CB ? ? 1 +41767 C CG . GLU Y 72 0.8089 1.0681 1.2972 -0.2510 0.0015 -0.0969 77 GLU e CG ? ? 1 +41768 C CD . GLU Y 72 0.8203 1.0960 1.3272 -0.2617 0.0005 -0.1022 77 GLU e CD ? ? 1 +41769 O OE1 . GLU Y 72 0.8550 1.1246 1.3642 -0.2713 0.0063 -0.1035 77 GLU e OE1 ? ? 1 +41770 O OE2 . GLU Y 72 0.8058 1.1006 1.3251 -0.2603 -0.0062 -0.1049 77 GLU e OE2 ? ? 1 +41771 C C . GLU Y 72 0.8119 1.0168 1.2554 -0.2380 0.0168 -0.0828 77 GLU e C ? ? 1 +41772 O O . GLU Y 72 0.8260 1.0104 1.2541 -0.2384 0.0179 -0.0840 77 GLU e O ? ? 1 +41773 N N . THR Y 73 0.8094 1.0176 1.2564 -0.2371 0.0216 -0.0780 78 THR e N ? ? 1 +41774 C CA . THR Y 73 0.8286 1.0163 1.2609 -0.2358 0.0286 -0.0736 78 THR e CA ? ? 1 +41775 C CB . THR Y 73 0.8177 1.0138 1.2573 -0.2352 0.0331 -0.0688 78 THR e CB ? ? 1 +41776 O OG1 . THR Y 73 0.8149 1.0273 1.2722 -0.2450 0.0336 -0.0723 78 THR e OG1 ? ? 1 +41777 C CG2 . THR Y 73 0.8322 1.0062 1.2565 -0.2355 0.0406 -0.0648 78 THR e CG2 ? ? 1 +41778 C C . THR Y 73 0.8401 1.0129 1.2549 -0.2244 0.0275 -0.0700 78 THR e C ? ? 1 +41779 O O . THR Y 73 0.8634 1.0134 1.2619 -0.2249 0.0310 -0.0696 78 THR e O ? ? 1 +41780 N N A PHE Y 74 0.8242 1.0104 1.2428 -0.2143 0.0227 -0.0675 79 PHE e N ? ? 1 +41781 N N B PHE Y 74 0.8260 1.0117 1.2441 -0.2141 0.0227 -0.0674 79 PHE e N ? ? 1 +41782 C CA A PHE Y 74 0.8275 1.0027 1.2316 -0.2029 0.0212 -0.0643 79 PHE e CA ? ? 1 +41783 C CA B PHE Y 74 0.8313 1.0048 1.2342 -0.2030 0.0215 -0.0643 79 PHE e CA ? ? 1 +41784 C C A PHE Y 74 0.8602 1.0203 1.2525 -0.2041 0.0190 -0.0686 79 PHE e C ? ? 1 +41785 C C B PHE Y 74 0.8626 1.0218 1.2543 -0.2041 0.0190 -0.0687 79 PHE e C ? ? 1 +41786 O O A PHE Y 74 0.8820 1.0213 1.2572 -0.1999 0.0214 -0.0669 79 PHE e O ? ? 1 +41787 O O B PHE Y 74 0.8837 1.0226 1.2584 -0.1995 0.0212 -0.0670 79 PHE e O ? ? 1 +41788 C CB A PHE Y 74 0.7963 0.9907 1.2086 -0.1931 0.0162 -0.0617 79 PHE e CB ? ? 1 +41789 C CB B PHE Y 74 0.8034 0.9938 1.2125 -0.1925 0.0165 -0.0616 79 PHE e CB ? ? 1 +41790 C CG A PHE Y 74 0.7679 0.9756 1.1895 -0.1898 0.0182 -0.0568 79 PHE e CG ? ? 1 +41791 C CG B PHE Y 74 0.8011 0.9787 1.1948 -0.1824 0.0147 -0.0600 79 PHE e CG ? ? 1 +41792 C CD1 A PHE Y 74 0.7699 0.9656 1.1833 -0.1884 0.0240 -0.0522 79 PHE e CD1 ? ? 1 +41793 C CD1 B PHE Y 74 0.7903 0.9735 1.1844 -0.1788 0.0089 -0.0630 79 PHE e CD1 ? ? 1 +41794 C CD2 A PHE Y 74 0.7373 0.9686 1.1747 -0.1878 0.0141 -0.0566 79 PHE e CD2 ? ? 1 +41795 C CD2 B PHE Y 74 0.8065 0.9660 1.1852 -0.1767 0.0189 -0.0557 79 PHE e CD2 ? ? 1 +41796 C CE1 A PHE Y 74 0.7510 0.9586 1.1724 -0.1852 0.0257 -0.0478 79 PHE e CE1 ? ? 1 +41797 C CE1 B PHE Y 74 0.7932 0.9646 1.1733 -0.1696 0.0077 -0.0617 79 PHE e CE1 ? ? 1 +41798 C CE2 A PHE Y 74 0.7191 0.9620 1.1645 -0.1847 0.0159 -0.0522 79 PHE e CE2 ? ? 1 +41799 C CE2 B PHE Y 74 0.8079 0.9562 1.1731 -0.1673 0.0174 -0.0545 79 PHE e CE2 ? ? 1 +41800 C CZ A PHE Y 74 0.7262 0.9573 1.1636 -0.1835 0.0216 -0.0479 79 PHE e CZ ? ? 1 +41801 C CZ B PHE Y 74 0.8027 0.9572 1.1689 -0.1639 0.0119 -0.0575 79 PHE e CZ ? ? 1 +41802 N N . LEU Y 75 0.8722 1.0423 1.2735 -0.2098 0.0143 -0.0744 80 LEU e N ? ? 1 +41803 C CA . LEU Y 75 0.9039 1.0617 1.2953 -0.2111 0.0114 -0.0790 80 LEU e CA ? ? 1 +41804 C CB . LEU Y 75 0.8957 1.0712 1.3008 -0.2158 0.0049 -0.0848 80 LEU e CB ? ? 1 +41805 C CG . LEU Y 75 0.8772 1.0714 1.2896 -0.2066 -0.0012 -0.0835 80 LEU e CG ? ? 1 +41806 C CD1 . LEU Y 75 0.8761 1.0836 1.2985 -0.2111 -0.0077 -0.0897 80 LEU e CD1 ? ? 1 +41807 C CD2 . LEU Y 75 0.8787 1.0618 1.2759 -0.1947 -0.0022 -0.0804 80 LEU e CD2 ? ? 1 +41808 C C . LEU Y 75 0.9588 1.0932 1.3381 -0.2192 0.0165 -0.0812 80 LEU e C ? ? 1 +41809 O O . LEU Y 75 0.9761 1.0925 1.3402 -0.2168 0.0161 -0.0826 80 LEU e O ? ? 1 +41810 N N . GLU Y 76 1.0053 1.1396 1.3910 -0.2287 0.0215 -0.0815 81 GLU e N ? ? 1 +41811 C CA . GLU Y 76 1.0690 1.1801 1.4425 -0.2362 0.0275 -0.0825 81 GLU e CA ? ? 1 +41812 C CB . GLU Y 76 1.1042 1.2192 1.4875 -0.2464 0.0333 -0.0823 81 GLU e CB ? ? 1 +41813 C CG . GLU Y 76 1.1209 1.2546 1.5234 -0.2573 0.0310 -0.0880 81 GLU e CG ? ? 1 +41814 C CD . GLU Y 76 1.1872 1.3130 1.5873 -0.2655 0.0286 -0.0951 81 GLU e CD ? ? 1 +41815 O OE1 . GLU Y 76 1.2429 1.3453 1.6286 -0.2700 0.0330 -0.0961 81 GLU e OE1 ? ? 1 +41816 O OE2 . GLU Y 76 1.2236 1.3664 1.6361 -0.2675 0.0222 -0.0998 81 GLU e OE2 ? ? 1 +41817 C C . GLU Y 76 1.0960 1.1856 1.4498 -0.2275 0.0314 -0.0772 81 GLU e C ? ? 1 +41818 O O . GLU Y 76 1.1088 1.1760 1.4468 -0.2286 0.0332 -0.0787 81 GLU e O ? ? 1 +41819 N N . GLN Y 77 1.1256 1.2220 1.4806 -0.2186 0.0324 -0.0712 82 GLN e N ? ? 1 +41820 C CA . GLN Y 77 1.1687 1.2467 1.5066 -0.2101 0.0361 -0.0657 82 GLN e CA ? ? 1 +41821 C CB . GLN Y 77 1.1616 1.2521 1.5062 -0.2035 0.0376 -0.0597 82 GLN e CB ? ? 1 +41822 C CG . GLN Y 77 1.1810 1.2762 1.5346 -0.2125 0.0428 -0.0588 82 GLN e CG ? ? 1 +41823 C CD . GLN Y 77 1.1750 1.2813 1.5337 -0.2054 0.0440 -0.0529 82 GLN e CD ? ? 1 +41824 O OE1 . GLN Y 77 1.1374 1.2530 1.4973 -0.1949 0.0400 -0.0502 82 GLN e OE1 ? ? 1 +41825 N NE2 . GLN Y 77 1.1828 1.2882 1.5447 -0.2113 0.0496 -0.0509 82 GLN e NE2 ? ? 1 +41826 C C . GLN Y 77 1.2001 1.2676 1.5243 -0.1998 0.0326 -0.0654 82 GLN e C ? ? 1 +41827 O O . GLN Y 77 1.2474 1.3037 1.5594 -0.1905 0.0345 -0.0607 82 GLN e O ? ? 1 +41828 N N . LEU Y 78 1.2066 1.2784 1.5331 -0.2013 0.0275 -0.0705 83 LEU e N ? ? 1 +41829 C CA . LEU Y 78 1.2299 1.2888 1.5421 -0.1936 0.0248 -0.0714 83 LEU e CA ? ? 1 +41830 C CB . LEU Y 78 1.1882 1.2649 1.5099 -0.1910 0.0175 -0.0748 83 LEU e CB ? ? 1 +41831 C CG . LEU Y 78 1.1251 1.2255 1.4597 -0.1830 0.0142 -0.0713 83 LEU e CG ? ? 1 +41832 C CD1 . LEU Y 78 1.1055 1.2179 1.4447 -0.1793 0.0075 -0.0745 83 LEU e CD1 ? ? 1 +41833 C CD2 . LEU Y 78 1.1051 1.2000 1.4310 -0.1713 0.0165 -0.0648 83 LEU e CD2 ? ? 1 +41834 C C . LEU Y 78 1.3052 1.3389 1.6024 -0.2001 0.0276 -0.0750 83 LEU e C ? ? 1 +41835 O O . LEU Y 78 1.3165 1.3364 1.6000 -0.1946 0.0260 -0.0761 83 LEU e O ? ? 1 +41836 N N . LYS Y 79 1.3761 1.4045 1.6763 -0.2120 0.0318 -0.0770 84 LYS e N ? ? 1 +41837 C CA . LYS Y 79 1.4246 1.4272 1.7099 -0.2190 0.0361 -0.0795 84 LYS e CA ? ? 1 +41838 C CB . LYS Y 79 1.4642 1.4454 1.7323 -0.2127 0.0419 -0.0737 84 LYS e CB ? ? 1 +41839 C CG . LYS Y 79 1.4872 1.4730 1.7614 -0.2154 0.0471 -0.0693 84 LYS e CG ? ? 1 +41840 C CD . LYS Y 79 1.5007 1.4843 1.7676 -0.2025 0.0484 -0.0622 84 LYS e CD ? ? 1 +41841 C CE . LYS Y 79 1.5144 1.4954 1.7818 -0.2051 0.0545 -0.0577 84 LYS e CE ? ? 1 +41842 N NZ . LYS Y 79 1.5059 1.5113 1.7945 -0.2118 0.0541 -0.0583 84 LYS e NZ ? ? 1 +41843 C C . LYS Y 79 1.4410 1.4336 1.7173 -0.2187 0.0319 -0.0847 84 LYS e C ? ? 1 +41844 O O . LYS Y 79 1.4256 1.4343 1.7130 -0.2206 0.0262 -0.0889 84 LYS e O ? ? 1 +41845 O OXT . LYS Y 79 1.4627 1.4311 1.7205 -0.2164 0.0342 -0.0847 84 LYS e OXT ? ? 1 +41846 N N . ILE Z 1 1.0574 1.4940 1.4270 -0.1008 -0.2818 -0.2056 15 ILE f N ? ? 1 +41847 C CA . ILE Z 1 1.0308 1.4830 1.4225 -0.1042 -0.2768 -0.2017 15 ILE f CA ? ? 1 +41848 C CB . ILE Z 1 1.0394 1.5124 1.4477 -0.1043 -0.2865 -0.2052 15 ILE f CB ? ? 1 +41849 C CG1 . ILE Z 1 1.0318 1.5202 1.4658 -0.1143 -0.2852 -0.2080 15 ILE f CG1 ? ? 1 +41850 C CG2 . ILE Z 1 1.0253 1.5051 1.4317 -0.0942 -0.2869 -0.1987 15 ILE f CG2 ? ? 1 +41851 C CD1 . ILE Z 1 1.0358 1.5212 1.4743 -0.1250 -0.2884 -0.2167 15 ILE f CD1 ? ? 1 +41852 C C . ILE Z 1 0.9998 1.4471 1.3853 -0.0972 -0.2667 -0.1917 15 ILE f C ? ? 1 +41853 O O . ILE Z 1 1.0089 1.4481 1.3776 -0.0884 -0.2669 -0.1882 15 ILE f O ? ? 1 +41854 N N A PHE Z 2 0.9698 1.4218 1.3688 -0.1014 -0.2579 -0.1873 16 PHE f N ? ? 1 +41855 N N B PHE Z 2 0.9744 1.4263 1.3734 -0.1014 -0.2579 -0.1874 16 PHE f N ? ? 1 +41856 C CA A PHE Z 2 0.9475 1.3936 1.3412 -0.0962 -0.2475 -0.1784 16 PHE f CA ? ? 1 +41857 C CA B PHE Z 2 0.9546 1.4008 1.3487 -0.0963 -0.2474 -0.1784 16 PHE f CA ? ? 1 +41858 C C A PHE Z 2 0.9151 1.3759 1.3204 -0.0914 -0.2463 -0.1725 16 PHE f C ? ? 1 +41859 C C B PHE Z 2 0.9193 1.3801 1.3244 -0.0912 -0.2465 -0.1726 16 PHE f C ? ? 1 +41860 O O A PHE Z 2 0.9019 1.3792 1.3258 -0.0951 -0.2501 -0.1746 16 PHE f O ? ? 1 +41861 O O B PHE Z 2 0.9070 1.3844 1.3298 -0.0945 -0.2512 -0.1750 16 PHE f O ? ? 1 +41862 C CB A PHE Z 2 0.9408 1.3805 1.3397 -0.1031 -0.2381 -0.1770 16 PHE f CB ? ? 1 +41863 C CB B PHE Z 2 0.9518 1.3930 1.3527 -0.1035 -0.2380 -0.1769 16 PHE f CB ? ? 1 +41864 C CG A PHE Z 2 0.9554 1.3781 1.3406 -0.1070 -0.2382 -0.1820 16 PHE f CG ? ? 1 +41865 C CG B PHE Z 2 0.9497 1.4017 1.3703 -0.1140 -0.2399 -0.1822 16 PHE f CG ? ? 1 +41866 C CD1 A PHE Z 2 0.9681 1.3760 1.3311 -0.1007 -0.2402 -0.1826 16 PHE f CD1 ? ? 1 +41867 C CD1 B PHE Z 2 0.9624 1.4055 1.3808 -0.1219 -0.2406 -0.1883 16 PHE f CD1 ? ? 1 +41868 C CD2 A PHE Z 2 0.9552 1.3761 1.3491 -0.1168 -0.2360 -0.1860 16 PHE f CD2 ? ? 1 +41869 C CD2 B PHE Z 2 0.9305 1.4013 1.3717 -0.1161 -0.2408 -0.1811 16 PHE f CD2 ? ? 1 +41870 C CE1 A PHE Z 2 0.9845 1.3763 1.3345 -0.1041 -0.2402 -0.1872 16 PHE f CE1 ? ? 1 +41871 C CE1 B PHE Z 2 0.9538 1.4067 1.3903 -0.1319 -0.2419 -0.1932 16 PHE f CE1 ? ? 1 +41872 C CE2 A PHE Z 2 0.9704 1.3750 1.3512 -0.1203 -0.2361 -0.1907 16 PHE f CE2 ? ? 1 +41873 C CE2 B PHE Z 2 0.9230 1.4040 1.3825 -0.1259 -0.2422 -0.1860 16 PHE f CE2 ? ? 1 +41874 C CZ A PHE Z 2 0.9861 1.3763 1.3450 -0.1138 -0.2383 -0.1913 16 PHE f CZ ? ? 1 +41875 C CZ B PHE Z 2 0.9372 1.4092 1.3943 -0.1338 -0.2426 -0.1920 16 PHE f CZ ? ? 1 +41876 N N . THR Z 3 0.8972 1.3516 1.2915 -0.0833 -0.2404 -0.1652 17 THR f N ? ? 1 +41877 C CA . THR Z 3 0.8663 1.3321 1.2678 -0.0776 -0.2391 -0.1592 17 THR f CA ? ? 1 +41878 C CB . THR Z 3 0.8719 1.3282 1.2541 -0.0673 -0.2383 -0.1544 17 THR f CB ? ? 1 +41879 O OG1 . THR Z 3 0.8814 1.3242 1.2525 -0.0651 -0.2281 -0.1490 17 THR f OG1 ? ? 1 +41880 C CG2 . THR Z 3 0.8926 1.3410 1.2586 -0.0643 -0.2473 -0.1600 17 THR f CG2 ? ? 1 +41881 C C . THR Z 3 0.8259 1.2972 1.2412 -0.0805 -0.2294 -0.1534 17 THR f C ? ? 1 +41882 O O . THR Z 3 0.8240 1.2883 1.2404 -0.0859 -0.2234 -0.1536 17 THR f O ? ? 1 +41883 N N . VAL Z 4 0.7924 1.2757 1.2175 -0.0768 -0.2282 -0.1485 18 VAL f N ? ? 1 +41884 C CA . VAL Z 4 0.7752 1.2634 1.2120 -0.0784 -0.2190 -0.1424 18 VAL f CA ? ? 1 +41885 C CB . VAL Z 4 0.7595 1.2629 1.2080 -0.0743 -0.2202 -0.1385 18 VAL f CB ? ? 1 +41886 C CG1 . VAL Z 4 0.7425 1.2481 1.1982 -0.0737 -0.2101 -0.1310 18 VAL f CG1 ? ? 1 +41887 C CG2 . VAL Z 4 0.7502 1.2699 1.2168 -0.0795 -0.2277 -0.1440 18 VAL f CG2 ? ? 1 +41888 C C . VAL Z 4 0.7714 1.2449 1.1944 -0.0747 -0.2096 -0.1366 18 VAL f C ? ? 1 +41889 O O . VAL Z 4 0.7480 1.2195 1.1769 -0.0786 -0.2018 -0.1340 18 VAL f O ? ? 1 +41890 N N . ARG Z 5 0.7817 1.2449 1.1863 -0.0671 -0.2103 -0.1347 19 ARG f N ? ? 1 +41891 C CA . ARG Z 5 0.7944 1.2433 1.1849 -0.0634 -0.2018 -0.1300 19 ARG f CA ? ? 1 +41892 C CB . ARG Z 5 0.8334 1.2728 1.2042 -0.0548 -0.2037 -0.1284 19 ARG f CB ? ? 1 +41893 C CG . ARG Z 5 0.8479 1.2732 1.2046 -0.0506 -0.1944 -0.1232 19 ARG f CG ? ? 1 +41894 C CD . ARG Z 5 0.8730 1.2933 1.2151 -0.0415 -0.1939 -0.1191 19 ARG f CD ? ? 1 +41895 N NE . ARG Z 5 0.9162 1.3282 1.2420 -0.0384 -0.2012 -0.1237 19 ARG f NE ? ? 1 +41896 C CZ . ARG Z 5 0.9645 1.3609 1.2725 -0.0365 -0.1997 -0.1254 19 ARG f CZ ? ? 1 +41897 N NH1 . ARG Z 5 0.9997 1.3869 1.3045 -0.0381 -0.1916 -0.1237 19 ARG f NH1 ? ? 1 +41898 N NH2 . ARG Z 5 0.9777 1.3672 1.2704 -0.0327 -0.2064 -0.1289 19 ARG f NH2 ? ? 1 +41899 C C . ARG Z 5 0.7873 1.2241 1.1725 -0.0690 -0.1989 -0.1335 19 ARG f C ? ? 1 +41900 O O . ARG Z 5 0.7806 1.2105 1.1643 -0.0696 -0.1903 -0.1297 19 ARG f O ? ? 1 +41901 N N . TRP Z 6 0.7871 1.2210 1.1688 -0.0728 -0.2065 -0.1409 20 TRP f N ? ? 1 +41902 C CA . TRP Z 6 0.7860 1.2084 1.1629 -0.0788 -0.2047 -0.1452 20 TRP f CA ? ? 1 +41903 C CB . TRP Z 6 0.7993 1.2209 1.1734 -0.0827 -0.2147 -0.1538 20 TRP f CB ? ? 1 +41904 C CG . TRP Z 6 0.8146 1.2221 1.1804 -0.0880 -0.2134 -0.1584 20 TRP f CG ? ? 1 +41905 C CD1 . TRP Z 6 0.8362 1.2275 1.1818 -0.0849 -0.2145 -0.1607 20 TRP f CD1 ? ? 1 +41906 N NE1 . TRP Z 6 0.8471 1.2284 1.1906 -0.0917 -0.2128 -0.1650 20 TRP f NE1 ? ? 1 +41907 C CE2 . TRP Z 6 0.8364 1.2274 1.1988 -0.0995 -0.2104 -0.1654 20 TRP f CE2 ? ? 1 +41908 C CZ2 . TRP Z 6 0.8473 1.2330 1.2147 -0.1082 -0.2079 -0.1690 20 TRP f CZ2 ? ? 1 +41909 C CH2 . TRP Z 6 0.8391 1.2370 1.2265 -0.1149 -0.2055 -0.1685 20 TRP f CH2 ? ? 1 +41910 C CZ3 . TRP Z 6 0.8219 1.2371 1.2243 -0.1129 -0.2058 -0.1646 20 TRP f CZ3 ? ? 1 +41911 C CE3 . TRP Z 6 0.8120 1.2322 1.2095 -0.1042 -0.2084 -0.1611 20 TRP f CE3 ? ? 1 +41912 C CD2 . TRP Z 6 0.8167 1.2245 1.1936 -0.0974 -0.2108 -0.1614 20 TRP f CD2 ? ? 1 +41913 C C . TRP Z 6 0.7569 1.1840 1.1496 -0.0862 -0.1986 -0.1441 20 TRP f C ? ? 1 +41914 O O . TRP Z 6 0.7490 1.1651 1.1365 -0.0877 -0.1915 -0.1424 20 TRP f O ? ? 1 +41915 N N . VAL Z 7 0.7321 1.1757 1.1440 -0.0905 -0.2016 -0.1452 21 VAL f N ? ? 1 +41916 C CA . VAL Z 7 0.7123 1.1616 1.1402 -0.0980 -0.1965 -0.1448 21 VAL f CA ? ? 1 +41917 C CB . VAL Z 7 0.6983 1.1667 1.1468 -0.1028 -0.2019 -0.1477 21 VAL f CB ? ? 1 +41918 C CG1 . VAL Z 7 0.6879 1.1615 1.1524 -0.1106 -0.1959 -0.1470 21 VAL f CG1 ? ? 1 +41919 C CG2 . VAL Z 7 0.7084 1.1797 1.1573 -0.1064 -0.2122 -0.1561 21 VAL f CG2 ? ? 1 +41920 C C . VAL Z 7 0.6939 1.1410 1.1221 -0.0944 -0.1865 -0.1367 21 VAL f C ? ? 1 +41921 O O . VAL Z 7 0.6940 1.1339 1.1229 -0.0983 -0.1798 -0.1355 21 VAL f O ? ? 1 +41922 N N . ALA Z 8 0.6822 1.1349 1.1095 -0.0871 -0.1856 -0.1313 22 ALA f N ? ? 1 +41923 C CA . ALA Z 8 0.6726 1.1242 1.1006 -0.0833 -0.1766 -0.1236 22 ALA f CA ? ? 1 +41924 C CB . ALA Z 8 0.6682 1.1263 1.0944 -0.0753 -0.1774 -0.1188 22 ALA f CB ? ? 1 +41925 C C . ALA Z 8 0.6742 1.1085 1.0869 -0.0812 -0.1699 -0.1216 22 ALA f C ? ? 1 +41926 O O . ALA Z 8 0.6683 1.0998 1.0847 -0.0829 -0.1623 -0.1180 22 ALA f O ? ? 1 +41927 N N . VAL Z 9 0.6845 1.1073 1.0798 -0.0773 -0.1729 -0.1239 23 VAL f N ? ? 1 +41928 C CA . VAL Z 9 0.6930 1.0991 1.0727 -0.0747 -0.1669 -0.1224 23 VAL f CA ? ? 1 +41929 C CB . VAL Z 9 0.7138 1.1094 1.0743 -0.0690 -0.1711 -0.1246 23 VAL f CB ? ? 1 +41930 C CG1 . VAL Z 9 0.7258 1.1036 1.0703 -0.0672 -0.1654 -0.1242 23 VAL f CG1 ? ? 1 +41931 C CG2 . VAL Z 9 0.7099 1.1109 1.0665 -0.0609 -0.1718 -0.1200 23 VAL f CG2 ? ? 1 +41932 C C . VAL Z 9 0.6921 1.0905 1.0737 -0.0822 -0.1645 -0.1259 23 VAL f C ? ? 1 +41933 O O . VAL Z 9 0.6906 1.0812 1.0698 -0.0822 -0.1568 -0.1226 23 VAL f O ? ? 1 +41934 N N . HIS Z 10 0.6952 1.0958 1.0813 -0.0888 -0.1712 -0.1328 24 HIS f N ? ? 1 +41935 C CA . HIS Z 10 0.7010 1.0921 1.0861 -0.0960 -0.1696 -0.1370 24 HIS f CA ? ? 1 +41936 C CB . HIS Z 10 0.7185 1.1086 1.1008 -0.1003 -0.1790 -0.1453 24 HIS f CB ? ? 1 +41937 C CG . HIS Z 10 0.7423 1.1169 1.1033 -0.0956 -0.1811 -0.1476 24 HIS f CG ? ? 1 +41938 N ND1 . HIS Z 10 0.7633 1.1215 1.1131 -0.0977 -0.1773 -0.1494 24 HIS f ND1 ? ? 1 +41939 C CE1 . HIS Z 10 0.7811 1.1282 1.1128 -0.0924 -0.1802 -0.1513 24 HIS f CE1 ? ? 1 +41940 N NE2 . HIS Z 10 0.7769 1.1317 1.1068 -0.0871 -0.1855 -0.1507 24 HIS f NE2 ? ? 1 +41941 C CD2 . HIS Z 10 0.7526 1.1254 1.1016 -0.0890 -0.1864 -0.1484 24 HIS f CD2 ? ? 1 +41942 C C . HIS Z 10 0.6817 1.0787 1.0826 -0.1024 -0.1641 -0.1351 24 HIS f C ? ? 1 +41943 O O . HIS Z 10 0.6872 1.0731 1.0845 -0.1060 -0.1591 -0.1355 24 HIS f O ? ? 1 +41944 N N . THR Z 11 0.6607 1.0740 1.0780 -0.1032 -0.1644 -0.1325 25 THR f N ? ? 1 +41945 C CA . THR Z 11 0.6423 1.0613 1.0741 -0.1086 -0.1587 -0.1301 25 THR f CA ? ? 1 +41946 C CB . THR Z 11 0.6285 1.0671 1.0789 -0.1101 -0.1614 -0.1291 25 THR f CB ? ? 1 +41947 O OG1 . THR Z 11 0.6253 1.0694 1.0728 -0.1017 -0.1620 -0.1245 25 THR f OG1 ? ? 1 +41948 C CG2 . THR Z 11 0.6321 1.0799 1.0916 -0.1162 -0.1699 -0.1364 25 THR f CG2 ? ? 1 +41949 C C . THR Z 11 0.6277 1.0395 1.0548 -0.1044 -0.1493 -0.1232 25 THR f C ? ? 1 +41950 O O . THR Z 11 0.6245 1.0342 1.0577 -0.1089 -0.1437 -0.1218 25 THR f O ? ? 1 +41951 N N . LEU Z 12 0.6201 1.0285 1.0367 -0.0957 -0.1475 -0.1188 26 LEU f N ? ? 1 +41952 C CA . LEU Z 12 0.6100 1.0104 1.0204 -0.0911 -0.1390 -0.1129 26 LEU f CA ? ? 1 +41953 C CB . LEU Z 12 0.6026 1.0074 1.0092 -0.0823 -0.1377 -0.1073 26 LEU f CB ? ? 1 +41954 C CG . LEU Z 12 0.5858 1.0074 1.0078 -0.0818 -0.1379 -0.1037 26 LEU f CG ? ? 1 +41955 C CD1 . LEU Z 12 0.5808 1.0044 0.9975 -0.0733 -0.1356 -0.0982 26 LEU f CD1 ? ? 1 +41956 C CD2 . LEU Z 12 0.5743 1.0003 1.0093 -0.0864 -0.1321 -0.1010 26 LEU f CD2 ? ? 1 +41957 C C . LEU Z 12 0.6199 1.0017 1.0136 -0.0903 -0.1365 -0.1147 26 LEU f C ? ? 1 +41958 O O . LEU Z 12 0.6202 0.9939 1.0124 -0.0915 -0.1300 -0.1126 26 LEU f O ? ? 1 +41959 N N . ALA Z 13 0.6269 1.0018 1.0079 -0.0881 -0.1418 -0.1188 27 ALA f N ? ? 1 +41960 C CA . ALA Z 13 0.6389 0.9959 1.0021 -0.0857 -0.1397 -0.1203 27 ALA f CA ? ? 1 +41961 C CB . ALA Z 13 0.6522 1.0053 1.0025 -0.0816 -0.1461 -0.1236 27 ALA f CB ? ? 1 +41962 C C . ALA Z 13 0.6446 0.9913 1.0066 -0.0932 -0.1388 -0.1248 27 ALA f C ? ? 1 +41963 O O . ALA Z 13 0.6535 0.9866 1.0058 -0.0918 -0.1331 -0.1234 27 ALA f O ? ? 1 +41964 N N . VAL Z 14 0.6396 0.9926 1.0115 -0.1011 -0.1443 -0.1301 28 VAL f N ? ? 1 +41965 C CA . VAL Z 14 0.6466 0.9897 1.0172 -0.1089 -0.1440 -0.1351 28 VAL f CA ? ? 1 +41966 C CB . VAL Z 14 0.6480 1.0008 1.0302 -0.1173 -0.1516 -0.1417 28 VAL f CB ? ? 1 +41967 C CG1 . VAL Z 14 0.6560 1.0017 1.0420 -0.1269 -0.1497 -0.1457 28 VAL f CG1 ? ? 1 +41968 C CG2 . VAL Z 14 0.6604 1.0113 1.0329 -0.1154 -0.1600 -0.1470 28 VAL f CG2 ? ? 1 +41969 C C . VAL Z 14 0.6352 0.9739 1.0104 -0.1113 -0.1355 -0.1311 28 VAL f C ? ? 1 +41970 O O . VAL Z 14 0.6445 0.9675 1.0087 -0.1114 -0.1313 -0.1314 28 VAL f O ? ? 1 +41971 N N . PRO Z 15 0.6140 0.9658 1.0052 -0.1132 -0.1328 -0.1272 29 PRO f N ? ? 1 +41972 C CA . PRO Z 15 0.6055 0.9531 1.0004 -0.1148 -0.1247 -0.1231 29 PRO f CA ? ? 1 +41973 C CB . PRO Z 15 0.5867 0.9524 0.9999 -0.1163 -0.1241 -0.1197 29 PRO f CB ? ? 1 +41974 C CG . PRO Z 15 0.5865 0.9649 1.0079 -0.1192 -0.1325 -0.1244 29 PRO f CG ? ? 1 +41975 C CD . PRO Z 15 0.6002 0.9713 1.0065 -0.1139 -0.1373 -0.1269 29 PRO f CD ? ? 1 +41976 C C . PRO Z 15 0.6043 0.9411 0.9867 -0.1066 -0.1183 -0.1178 29 PRO f C ? ? 1 +41977 O O . PRO Z 15 0.6090 0.9339 0.9863 -0.1078 -0.1128 -0.1167 29 PRO f O ? ? 1 +41978 N N . THR Z 16 0.5965 0.9375 0.9742 -0.0984 -0.1190 -0.1146 30 THR f N ? ? 1 +41979 C CA . THR Z 16 0.5940 0.9269 0.9614 -0.0904 -0.1128 -0.1094 30 THR f CA ? ? 1 +41980 C CB . THR Z 16 0.5885 0.9273 0.9513 -0.0822 -0.1144 -0.1066 30 THR f CB ? ? 1 +41981 O OG1 . THR Z 16 0.5702 0.9260 0.9476 -0.0818 -0.1152 -0.1032 30 THR f OG1 ? ? 1 +41982 C CG2 . THR Z 16 0.5903 0.9204 0.9420 -0.0741 -0.1082 -0.1020 30 THR f CG2 ? ? 1 +41983 C C . THR Z 16 0.6120 0.9254 0.9633 -0.0901 -0.1106 -0.1121 30 THR f C ? ? 1 +41984 O O . THR Z 16 0.6146 0.9193 0.9622 -0.0884 -0.1041 -0.1090 30 THR f O ? ? 1 +41985 N N . ILE Z 17 0.6253 0.9316 0.9671 -0.0917 -0.1162 -0.1179 31 ILE f N ? ? 1 +41986 C CA . ILE Z 17 0.6429 0.9303 0.9680 -0.0907 -0.1146 -0.1207 31 ILE f CA ? ? 1 +41987 C CB . ILE Z 17 0.6601 0.9422 0.9741 -0.0906 -0.1216 -0.1267 31 ILE f CB ? ? 1 +41988 C CG1 . ILE Z 17 0.6607 0.9446 0.9658 -0.0813 -0.1224 -0.1240 31 ILE f CG1 ? ? 1 +41989 C CG2 . ILE Z 17 0.6817 0.9444 0.9811 -0.0927 -0.1211 -0.1312 31 ILE f CG2 ? ? 1 +41990 C CD1 . ILE Z 17 0.6443 0.9457 0.9611 -0.0787 -0.1239 -0.1202 31 ILE f CD1 ? ? 1 +41991 C C . ILE Z 17 0.6464 0.9248 0.9736 -0.0978 -0.1113 -0.1224 31 ILE f C ? ? 1 +41992 O O . ILE Z 17 0.6559 0.9204 0.9732 -0.0953 -0.1058 -0.1209 31 ILE f O ? ? 1 +41993 N N . PHE Z 18 0.6386 0.9251 0.9789 -0.1066 -0.1145 -0.1256 32 PHE f N ? ? 1 +41994 C CA . PHE Z 18 0.6402 0.9197 0.9843 -0.1142 -0.1112 -0.1270 32 PHE f CA ? ? 1 +41995 C CB . PHE Z 18 0.6325 0.9251 0.9931 -0.1234 -0.1156 -0.1306 32 PHE f CB ? ? 1 +41996 C CG . PHE Z 18 0.6358 0.9226 1.0018 -0.1323 -0.1123 -0.1323 32 PHE f CG ? ? 1 +41997 C CD1 . PHE Z 18 0.6234 0.9142 0.9986 -0.1333 -0.1062 -0.1274 32 PHE f CD1 ? ? 1 +41998 C CD2 . PHE Z 18 0.6523 0.9289 1.0134 -0.1397 -0.1152 -0.1390 32 PHE f CD2 ? ? 1 +41999 C CE1 . PHE Z 18 0.6281 0.9127 1.0074 -0.1414 -0.1029 -0.1288 32 PHE f CE1 ? ? 1 +42000 C CE2 . PHE Z 18 0.6567 0.9273 1.0224 -0.1481 -0.1118 -0.1406 32 PHE f CE2 ? ? 1 +42001 C CZ . PHE Z 18 0.6446 0.9191 1.0192 -0.1489 -0.1056 -0.1354 32 PHE f CZ ? ? 1 +42002 C C . PHE Z 18 0.6300 0.9073 0.9761 -0.1109 -0.1030 -0.1205 32 PHE f C ? ? 1 +42003 O O . PHE Z 18 0.6399 0.9024 0.9780 -0.1117 -0.0984 -0.1203 32 PHE f O ? ? 1 +42004 N N . PHE Z 19 0.6107 0.9024 0.9672 -0.1069 -0.1014 -0.1152 33 PHE f N ? ? 1 +42005 C CA . PHE Z 19 0.6001 0.8918 0.9600 -0.1038 -0.0943 -0.1090 33 PHE f CA ? ? 1 +42006 C CB . PHE Z 19 0.5778 0.8883 0.9520 -0.1013 -0.0941 -0.1043 33 PHE f CB ? ? 1 +42007 C CG . PHE Z 19 0.5663 0.8880 0.9571 -0.1093 -0.0948 -0.1049 33 PHE f CG ? ? 1 +42008 C CD1 . PHE Z 19 0.5703 0.8962 0.9671 -0.1172 -0.1004 -0.1107 33 PHE f CD1 ? ? 1 +42009 C CD2 . PHE Z 19 0.5514 0.8794 0.9518 -0.1090 -0.0897 -0.0997 33 PHE f CD2 ? ? 1 +42010 C CE1 . PHE Z 19 0.5606 0.8972 0.9731 -0.1246 -0.1007 -0.1114 33 PHE f CE1 ? ? 1 +42011 C CE2 . PHE Z 19 0.5427 0.8807 0.9579 -0.1163 -0.0900 -0.1003 33 PHE f CE2 ? ? 1 +42012 C CZ . PHE Z 19 0.5473 0.8896 0.9686 -0.1241 -0.0953 -0.1062 33 PHE f CZ ? ? 1 +42013 C C . PHE Z 19 0.6081 0.8868 0.9532 -0.0953 -0.0894 -0.1059 33 PHE f C ? ? 1 +42014 O O . PHE Z 19 0.6089 0.8796 0.9517 -0.0943 -0.0836 -0.1029 33 PHE f O ? ? 1 +42015 N N . LEU Z 20 0.6145 0.8915 0.9498 -0.0891 -0.0919 -0.1065 34 LEU f N ? ? 1 +42016 C CA . LEU Z 20 0.6226 0.8878 0.9436 -0.0809 -0.0875 -0.1041 34 LEU f CA ? ? 1 +42017 C CB . LEU Z 20 0.6254 0.8926 0.9381 -0.0745 -0.0908 -0.1047 34 LEU f CB ? ? 1 +42018 C CG . LEU Z 20 0.6075 0.8907 0.9289 -0.0694 -0.0907 -0.0999 34 LEU f CG ? ? 1 +42019 C CD1 . LEU Z 20 0.6135 0.8959 0.9244 -0.0633 -0.0935 -0.1008 34 LEU f CD1 ? ? 1 +42020 C CD2 . LEU Z 20 0.5968 0.8821 0.9216 -0.0643 -0.0837 -0.0935 34 LEU f CD2 ? ? 1 +42021 C C . LEU Z 20 0.6431 0.8886 0.9511 -0.0830 -0.0856 -0.1076 34 LEU f C ? ? 1 +42022 O O . LEU Z 20 0.6501 0.8851 0.9501 -0.0782 -0.0800 -0.1048 34 LEU f O ? ? 1 +42023 N N . GLY Z 21 0.6550 0.8953 0.9608 -0.0902 -0.0905 -0.1138 35 GLY f N ? ? 1 +42024 C CA . GLY Z 21 0.6745 0.8960 0.9689 -0.0936 -0.0890 -0.1175 35 GLY f CA ? ? 1 +42025 C C . GLY Z 21 0.6728 0.8898 0.9726 -0.0977 -0.0836 -0.1152 35 GLY f C ? ? 1 +42026 O O . GLY Z 21 0.6849 0.8858 0.9736 -0.0958 -0.0793 -0.1149 35 GLY f O ? ? 1 +42027 N N . ALA Z 22 0.6595 0.8903 0.9757 -0.1031 -0.0839 -0.1137 36 ALA f N ? ? 1 +42028 C CA . ALA Z 22 0.6561 0.8841 0.9783 -0.1071 -0.0788 -0.1111 36 ALA f CA ? ? 1 +42029 C CB . ALA Z 22 0.6404 0.8855 0.9813 -0.1138 -0.0806 -0.1107 36 ALA f CB ? ? 1 +42030 C C . ALA Z 22 0.6501 0.8753 0.9690 -0.0987 -0.0724 -0.1047 36 ALA f C ? ? 1 +42031 O O . ALA Z 22 0.6585 0.8707 0.9712 -0.0987 -0.0676 -0.1034 36 ALA f O ? ? 1 +42032 N N . ILE Z 23 0.6370 0.8745 0.9599 -0.0915 -0.0724 -0.1006 37 ILE f N ? ? 1 +42033 C CA . ILE Z 23 0.6310 0.8681 0.9523 -0.0835 -0.0666 -0.0946 37 ILE f CA ? ? 1 +42034 C CB . ILE Z 23 0.6121 0.8673 0.9430 -0.0783 -0.0675 -0.0905 37 ILE f CB ? ? 1 +42035 C CG1 . ILE Z 23 0.5964 0.8681 0.9451 -0.0847 -0.0696 -0.0898 37 ILE f CG1 ? ? 1 +42036 C CG2 . ILE Z 23 0.6046 0.8597 0.9335 -0.0695 -0.0618 -0.0846 37 ILE f CG2 ? ? 1 +42037 C CD1 . ILE Z 23 0.5799 0.8692 0.9380 -0.0807 -0.0715 -0.0867 37 ILE f CD1 ? ? 1 +42038 C C . ILE Z 23 0.6485 0.8683 0.9522 -0.0769 -0.0638 -0.0950 37 ILE f C ? ? 1 +42039 O O . ILE Z 23 0.6509 0.8626 0.9503 -0.0731 -0.0585 -0.0918 37 ILE f O ? ? 1 +42040 N N . ALA Z 24 0.6625 0.8766 0.9559 -0.0755 -0.0675 -0.0991 38 ALA f N ? ? 1 +42041 C CA . ALA Z 24 0.6816 0.8783 0.9577 -0.0700 -0.0652 -0.1004 38 ALA f CA ? ? 1 +42042 C CB . ALA Z 24 0.6929 0.8856 0.9594 -0.0699 -0.0703 -0.1055 38 ALA f CB ? ? 1 +42043 C C . ALA Z 24 0.6993 0.8790 0.9687 -0.0739 -0.0620 -0.1019 38 ALA f C ? ? 1 +42044 O O . ALA Z 24 0.7067 0.8756 0.9676 -0.0681 -0.0570 -0.0994 38 ALA f O ? ? 1 +42045 N N . ALA Z 25 0.7072 0.8848 0.9808 -0.0838 -0.0648 -0.1060 39 ALA f N ? ? 1 +42046 C CA . ALA Z 25 0.7234 0.8844 0.9905 -0.0888 -0.0621 -0.1079 39 ALA f CA ? ? 1 +42047 C CB . ALA Z 25 0.7270 0.8897 1.0013 -0.1005 -0.0661 -0.1129 39 ALA f CB ? ? 1 +42048 C C . ALA Z 25 0.7182 0.8778 0.9892 -0.0866 -0.0559 -0.1024 39 ALA f C ? ? 1 +42049 O O . ALA Z 25 0.7304 0.8733 0.9908 -0.0851 -0.0520 -0.1021 39 ALA f O ? ? 1 +42050 N N . MET Z 26 0.7019 0.8791 0.9879 -0.0863 -0.0554 -0.0982 40 MET f N ? ? 1 +42051 C CA . MET Z 26 0.6969 0.8751 0.9882 -0.0847 -0.0502 -0.0929 40 MET f CA ? ? 1 +42052 C CB . MET Z 26 0.6731 0.8731 0.9821 -0.0854 -0.0511 -0.0893 40 MET f CB ? ? 1 +42053 C CG . MET Z 26 0.6662 0.8753 0.9875 -0.0958 -0.0544 -0.0921 40 MET f CG ? ? 1 +42054 S SD . MET Z 26 0.6384 0.8733 0.9787 -0.0947 -0.0560 -0.0880 40 MET f SD ? ? 1 +42055 C CE . MET Z 26 0.6372 0.8814 0.9888 -0.1065 -0.0619 -0.0937 40 MET f CE ? ? 1 +42056 C C . MET Z 26 0.7040 0.8741 0.9856 -0.0742 -0.0455 -0.0890 40 MET f C ? ? 1 +42057 O O . MET Z 26 0.7037 0.8678 0.9846 -0.0728 -0.0410 -0.0857 40 MET f O ? ? 1 +42058 N N . GLN Z 27 0.7121 0.8819 0.9860 -0.0670 -0.0464 -0.0894 41 GLN f N ? ? 1 +42059 C CA . GLN Z 27 0.7199 0.8838 0.9856 -0.0567 -0.0420 -0.0858 41 GLN f CA ? ? 1 +42060 C CB . GLN Z 27 0.7163 0.8850 0.9770 -0.0496 -0.0436 -0.0862 41 GLN f CB ? ? 1 +42061 C CG . GLN Z 27 0.6962 0.8854 0.9697 -0.0502 -0.0470 -0.0849 41 GLN f CG ? ? 1 +42062 C CD . GLN Z 27 0.6753 0.8790 0.9639 -0.0506 -0.0451 -0.0799 41 GLN f CD ? ? 1 +42063 O OE1 . GLN Z 27 0.6694 0.8723 0.9585 -0.0451 -0.0405 -0.0757 41 GLN f OE1 ? ? 1 +42064 N NE2 . GLN Z 27 0.6632 0.8807 0.9647 -0.0570 -0.0486 -0.0804 41 GLN f NE2 ? ? 1 +42065 C C . GLN Z 27 0.7481 0.8899 0.9987 -0.0552 -0.0387 -0.0873 41 GLN f C ? ? 1 +42066 O O . GLN Z 27 0.7509 0.8871 0.9957 -0.0471 -0.0345 -0.0841 41 GLN f O ? ? 1 +42067 N N . PHE Z 28 0.7724 0.9021 1.0172 -0.0630 -0.0407 -0.0922 42 PHE f N ? ? 1 +42068 C CA . PHE Z 28 0.8010 0.9084 1.0311 -0.0627 -0.0379 -0.0940 42 PHE f CA ? ? 1 +42069 C CB . PHE Z 28 0.8201 0.9160 1.0387 -0.0660 -0.0415 -0.1004 42 PHE f CB ? ? 1 +42070 C CG . PHE Z 28 0.8205 0.9209 1.0339 -0.0588 -0.0434 -0.1011 42 PHE f CG ? ? 1 +42071 C CD1 . PHE Z 28 0.8305 0.9213 1.0317 -0.0488 -0.0399 -0.0996 42 PHE f CD1 ? ? 1 +42072 C CD2 . PHE Z 28 0.8110 0.9257 1.0317 -0.0615 -0.0486 -0.1031 42 PHE f CD2 ? ? 1 +42073 C CE1 . PHE Z 28 0.8314 0.9263 1.0276 -0.0422 -0.0412 -0.1002 42 PHE f CE1 ? ? 1 +42074 C CE2 . PHE Z 28 0.8131 0.9312 1.0281 -0.0547 -0.0501 -0.1036 42 PHE f CE2 ? ? 1 +42075 C CZ . PHE Z 28 0.8234 0.9316 1.0261 -0.0452 -0.0462 -0.1021 42 PHE f CZ ? ? 1 +42076 C C . PHE Z 28 0.8129 0.9135 1.0461 -0.0695 -0.0354 -0.0932 42 PHE f C ? ? 1 +42077 O O . PHE Z 28 0.8344 0.9155 1.0554 -0.0704 -0.0331 -0.0949 42 PHE f O ? ? 1 +42078 N N . ILE Z 29 0.8058 0.9216 1.0547 -0.0741 -0.0357 -0.0906 43 ILE f N ? ? 1 +42079 C CA . ILE Z 29 0.8179 0.9283 1.0704 -0.0804 -0.0329 -0.0894 43 ILE f CA ? ? 1 +42080 C CB . ILE Z 29 0.7971 0.9259 1.0677 -0.0881 -0.0348 -0.0886 43 ILE f CB ? ? 1 +42081 C CG1 . ILE Z 29 0.8001 0.9348 1.0754 -0.0964 -0.0404 -0.0942 43 ILE f CG1 ? ? 1 +42082 C CG2 . ILE Z 29 0.7964 0.9194 1.0702 -0.0937 -0.0311 -0.0866 43 ILE f CG2 ? ? 1 +42083 C CD1 . ILE Z 29 0.7812 0.9369 1.0749 -0.1019 -0.0429 -0.0934 43 ILE f CD1 ? ? 1 +42084 C C . ILE Z 29 0.8346 0.9389 1.0828 -0.0723 -0.0276 -0.0841 43 ILE f C ? ? 1 +42085 O O . ILE Z 29 0.8162 0.9324 1.0699 -0.0647 -0.0266 -0.0799 43 ILE f O ? ? 1 +42086 N N . GLN Z 30 0.8816 0.9670 1.1198 -0.0744 -0.0243 -0.0845 44 GLN f N ? ? 1 +42087 C CA . GLN Z 30 0.9150 0.9910 1.1468 -0.0672 -0.0195 -0.0801 44 GLN f CA ? ? 1 +42088 C CB . GLN Z 30 0.9639 1.0158 1.1765 -0.0637 -0.0175 -0.0825 44 GLN f CB ? ? 1 +42089 C CG . GLN Z 30 0.9956 1.0407 1.2003 -0.0521 -0.0136 -0.0783 44 GLN f CG ? ? 1 +42090 C CD . GLN Z 30 1.0109 1.0652 1.2151 -0.0426 -0.0147 -0.0778 44 GLN f CD ? ? 1 +42091 O OE1 . GLN Z 30 1.0212 1.0743 1.2207 -0.0433 -0.0176 -0.0818 44 GLN f OE1 ? ? 1 +42092 N NE2 . GLN Z 30 1.0064 1.0700 1.2154 -0.0337 -0.0125 -0.0728 44 GLN f NE2 ? ? 1 +42093 C C . GLN Z 30 0.9171 0.9929 1.1558 -0.0739 -0.0171 -0.0779 44 GLN f C ? ? 1 +42094 O O . GLN Z 30 0.9202 0.9964 1.1638 -0.0843 -0.0187 -0.0809 44 GLN f O ? ? 1 +42095 N N . ARG Z 31 0.9232 0.9979 1.1619 -0.0680 -0.0134 -0.0728 45 ARG f N ? ? 1 +42096 C CA . ARG Z 31 0.9270 0.9996 1.1703 -0.0735 -0.0106 -0.0704 45 ARG f CA ? ? 1 +42097 C CB . ARG Z 31 0.8942 0.9809 1.1472 -0.0670 -0.0089 -0.0644 45 ARG f CB ? ? 1 +42098 C CG . ARG Z 31 0.8860 0.9648 1.1295 -0.0552 -0.0062 -0.0610 45 ARG f CG ? ? 1 +42099 C CD . ARG Z 31 0.8592 0.9529 1.1132 -0.0496 -0.0049 -0.0556 45 ARG f CD ? ? 1 +42100 N NE . ARG Z 31 0.8588 0.9443 1.1039 -0.0385 -0.0023 -0.0526 45 ARG f NE ? ? 1 +42101 C CZ . ARG Z 31 0.8602 0.9325 1.0978 -0.0361 0.0009 -0.0500 45 ARG f CZ ? ? 1 +42102 N NH1 . ARG Z 31 0.8619 0.9267 1.0993 -0.0441 0.0025 -0.0498 45 ARG f NH1 ? ? 1 +42103 N NH2 . ARG Z 31 0.8637 0.9298 1.0935 -0.0253 0.0028 -0.0477 45 ARG f NH2 ? ? 1 +42104 C C . ARG Z 31 0.9726 1.0195 1.1998 -0.0744 -0.0071 -0.0712 45 ARG f C ? ? 1 +42105 O O . ARG Z 31 1.0089 1.0492 1.2368 -0.0809 -0.0047 -0.0704 45 ARG f O ? ? 1 +42106 O OXT . ARG Z 31 1.0288 1.0612 1.2420 -0.0684 -0.0064 -0.0725 45 ARG f OXT ? ? 1 +42107 N N . ALA AA 1 0.4898 1.2692 1.2098 0.1151 -0.2165 -0.0268 2 ALA h N ? ? 1 +42108 C CA . ALA AA 1 0.4611 1.2539 1.1994 0.1065 -0.2113 -0.0296 2 ALA h CA ? ? 1 +42109 C CB . ALA AA 1 0.4591 1.2664 1.2093 0.1037 -0.2172 -0.0360 2 ALA h CB ? ? 1 +42110 C C . ALA AA 1 0.4384 1.2398 1.1894 0.1087 -0.2086 -0.0301 2 ALA h C ? ? 1 +42111 O O . ALA AA 1 0.4563 1.2547 1.2028 0.1171 -0.2120 -0.0292 2 ALA h O ? ? 1 +42112 N N A ARG AA 2 0.4142 1.2248 1.1796 0.1010 -0.2022 -0.0313 3 ARG h N ? ? 1 +42113 N N B ARG AA 2 0.4110 1.2228 1.1774 0.1011 -0.2027 -0.0318 3 ARG h N ? ? 1 +42114 C CA A ARG AA 2 0.3998 1.2209 1.1795 0.1023 -0.1997 -0.0328 3 ARG h CA ? ? 1 +42115 C CA B ARG AA 2 0.3941 1.2151 1.1737 0.1022 -0.1995 -0.0327 3 ARG h CA ? ? 1 +42116 C C A ARG AA 2 0.3818 1.2229 1.1823 0.0978 -0.2013 -0.0393 3 ARG h C ? ? 1 +42117 C C B ARG AA 2 0.3775 1.2186 1.1786 0.0976 -0.2004 -0.0390 3 ARG h C ? ? 1 +42118 O O A ARG AA 2 0.3648 1.2096 1.1710 0.0892 -0.1979 -0.0406 3 ARG h O ? ? 1 +42119 O O B ARG AA 2 0.3587 1.2035 1.1663 0.0887 -0.1958 -0.0399 3 ARG h O ? ? 1 +42120 C CB A ARG AA 2 0.3978 1.2112 1.1756 0.0977 -0.1897 -0.0281 3 ARG h CB ? ? 1 +42121 C CB B ARG AA 2 0.3892 1.2007 1.1648 0.0975 -0.1896 -0.0276 3 ARG h CB ? ? 1 +42122 C CG A ARG AA 2 0.3939 1.2197 1.1885 0.0963 -0.1856 -0.0302 3 ARG h CG ? ? 1 +42123 C CG B ARG AA 2 0.3816 1.2022 1.1710 0.0971 -0.1851 -0.0285 3 ARG h CG ? ? 1 +42124 C CD A ARG AA 2 0.3995 1.2146 1.1877 0.0968 -0.1786 -0.0251 3 ARG h CD ? ? 1 +42125 C CD B ARG AA 2 0.3764 1.1865 1.1604 0.0922 -0.1756 -0.0234 3 ARG h CD ? ? 1 +42126 N NE A ARG AA 2 0.3944 1.2193 1.1974 0.0920 -0.1723 -0.0264 3 ARG h NE ? ? 1 +42127 N NE B ARG AA 2 0.3853 1.1805 1.1544 0.0984 -0.1749 -0.0185 3 ARG h NE ? ? 1 +42128 C CZ A ARG AA 2 0.3955 1.2137 1.1960 0.0911 -0.1655 -0.0228 3 ARG h CZ ? ? 1 +42129 C CZ B ARG AA 2 0.3931 1.1721 1.1447 0.0986 -0.1740 -0.0140 3 ARG h CZ ? ? 1 +42130 N NH1 A ARG AA 2 0.4043 1.2068 1.1893 0.0951 -0.1643 -0.0178 3 ARG h NH1 ? ? 1 +42131 N NH1 B ARG AA 2 0.3887 1.1642 1.1346 0.0944 -0.1749 -0.0140 3 ARG h NH1 ? ? 1 +42132 N NH2 A ARG AA 2 0.3829 1.2101 1.1967 0.0859 -0.1597 -0.0243 3 ARG h NH2 ? ? 1 +42133 N NH2 B ARG AA 2 0.4039 1.1697 1.1434 0.1033 -0.1721 -0.0096 3 ARG h NH2 ? ? 1 +42134 N N . ARG AA 3 0.3739 1.2277 1.1857 0.1038 -0.2065 -0.0433 4 ARG h N ? ? 1 +42135 C CA . ARG AA 3 0.3606 1.2345 1.1939 0.1000 -0.2073 -0.0494 4 ARG h CA ? ? 1 +42136 C CB . ARG AA 3 0.3829 1.2690 1.2243 0.1086 -0.2165 -0.0544 4 ARG h CB ? ? 1 +42137 C CG . ARG AA 3 0.4037 1.2887 1.2378 0.1119 -0.2258 -0.0567 4 ARG h CG ? ? 1 +42138 C CD . ARG AA 3 0.4267 1.3229 1.2678 0.1213 -0.2350 -0.0612 4 ARG h CD ? ? 1 +42139 N NE . ARG AA 3 0.4272 1.3453 1.2919 0.1184 -0.2358 -0.0677 4 ARG h NE ? ? 1 +42140 C CZ . ARG AA 3 0.4522 1.3834 1.3284 0.1256 -0.2411 -0.0717 4 ARG h CZ ? ? 1 +42141 N NH1 . ARG AA 3 0.4630 1.3873 1.3299 0.1361 -0.2448 -0.0694 4 ARG h NH1 ? ? 1 +42142 N NH2 . ARG AA 3 0.4619 1.4138 1.3599 0.1221 -0.2424 -0.0782 4 ARG h NH2 ? ? 1 +42143 C C . ARG AA 3 0.3317 1.2102 1.1758 0.0957 -0.1985 -0.0485 4 ARG h C ? ? 1 +42144 O O . ARG AA 3 0.3294 1.1995 1.1671 0.0995 -0.1949 -0.0445 4 ARG h O ? ? 1 +42145 N N . THR AA 4 0.3150 1.2061 1.1747 0.0875 -0.1949 -0.0521 5 THR h N ? ? 1 +42146 C CA . THR AA 4 0.3090 1.2080 1.1819 0.0836 -0.1875 -0.0525 5 THR h CA ? ? 1 +42147 C CB . THR AA 4 0.3016 1.1924 1.1709 0.0744 -0.1782 -0.0489 5 THR h CB ? ? 1 +42148 O OG1 . THR AA 4 0.2990 1.1967 1.1756 0.0663 -0.1781 -0.0523 5 THR h OG1 ? ? 1 +42149 C CG2 . THR AA 4 0.3027 1.1731 1.1511 0.0755 -0.1761 -0.0424 5 THR h CG2 ? ? 1 +42150 C C . THR AA 4 0.3175 1.2376 1.2117 0.0812 -0.1899 -0.0596 5 THR h C ? ? 1 +42151 O O . THR AA 4 0.3369 1.2643 1.2351 0.0808 -0.1965 -0.0638 5 THR h O ? ? 1 +42152 N N . TRP AA 5 0.3189 1.2486 1.2267 0.0795 -0.1845 -0.0609 6 TRP h N ? ? 1 +42153 C CA . TRP AA 5 0.3141 1.2641 1.2432 0.0766 -0.1852 -0.0675 6 TRP h CA ? ? 1 +42154 C CB . TRP AA 5 0.3246 1.2810 1.2648 0.0755 -0.1776 -0.0673 6 TRP h CB ? ? 1 +42155 C CG . TRP AA 5 0.3486 1.3244 1.3104 0.0701 -0.1757 -0.0733 6 TRP h CG ? ? 1 +42156 C CD1 . TRP AA 5 0.3661 1.3599 1.3437 0.0738 -0.1816 -0.0796 6 TRP h CD1 ? ? 1 +42157 N NE1 . TRP AA 5 0.3705 1.3790 1.3663 0.0661 -0.1768 -0.0839 6 TRP h NE1 ? ? 1 +42158 C CE2 . TRP AA 5 0.3658 1.3653 1.3569 0.0574 -0.1678 -0.0804 6 TRP h CE2 ? ? 1 +42159 C CZ2 . TRP AA 5 0.3594 1.3664 1.3625 0.0477 -0.1603 -0.0824 6 TRP h CZ2 ? ? 1 +42160 C CH2 . TRP AA 5 0.3521 1.3460 1.3455 0.0408 -0.1524 -0.0776 6 TRP h CH2 ? ? 1 +42161 C CZ3 . TRP AA 5 0.3494 1.3239 1.3227 0.0433 -0.1518 -0.0712 6 TRP h CZ3 ? ? 1 +42162 C CE3 . TRP AA 5 0.3519 1.3191 1.3137 0.0524 -0.1589 -0.0693 6 TRP h CE3 ? ? 1 +42163 C CD2 . TRP AA 5 0.3534 1.3327 1.3235 0.0598 -0.1671 -0.0738 6 TRP h CD2 ? ? 1 +42164 C C . TRP AA 5 0.2936 1.2475 1.2277 0.0665 -0.1838 -0.0699 6 TRP h C ? ? 1 +42165 O O . TRP AA 5 0.2862 1.2520 1.2297 0.0657 -0.1898 -0.0754 6 TRP h O ? ? 1 +42166 N N . LEU AA 6 0.2808 1.2239 1.2076 0.0591 -0.1761 -0.0659 7 LEU h N ? ? 1 +42167 C CA . LEU AA 6 0.2667 1.2117 1.1972 0.0493 -0.1736 -0.0677 7 LEU h CA ? ? 1 +42168 C CB . LEU AA 6 0.2547 1.1882 1.1783 0.0423 -0.1638 -0.0628 7 LEU h CB ? ? 1 +42169 C CG . LEU AA 6 0.2480 1.1841 1.1770 0.0318 -0.1599 -0.0647 7 LEU h CG ? ? 1 +42170 C CD1 . LEU AA 6 0.2408 1.1953 1.1910 0.0270 -0.1576 -0.0704 7 LEU h CD1 ? ? 1 +42171 C CD2 . LEU AA 6 0.2411 1.1634 1.1600 0.0262 -0.1513 -0.0592 7 LEU h CD2 ? ? 1 +42172 C C . LEU AA 6 0.2693 1.2093 1.1903 0.0498 -0.1809 -0.0686 7 LEU h C ? ? 1 +42173 O O . LEU AA 6 0.2724 1.2215 1.2020 0.0449 -0.1837 -0.0733 7 LEU h O ? ? 1 +42174 N N . GLY AA 7 0.2705 1.1957 1.1735 0.0559 -0.1840 -0.0641 8 GLY h N ? ? 1 +42175 C CA . GLY AA 7 0.2737 1.1933 1.1661 0.0581 -0.1915 -0.0648 8 GLY h CA ? ? 1 +42176 C C . GLY AA 7 0.2698 1.2043 1.1730 0.0620 -0.2010 -0.0714 8 GLY h C ? ? 1 +42177 O O . GLY AA 7 0.2637 1.2005 1.1669 0.0587 -0.2054 -0.0745 8 GLY h O ? ? 1 +42178 N N . ASP AA 8 0.2780 1.2225 1.1902 0.0691 -0.2042 -0.0736 9 ASP h N ? ? 1 +42179 C CA . ASP AA 8 0.2852 1.2453 1.2092 0.0735 -0.2133 -0.0801 9 ASP h CA ? ? 1 +42180 C CB . ASP AA 8 0.2968 1.2640 1.2270 0.0827 -0.2158 -0.0809 9 ASP h CB ? ? 1 +42181 C CG . ASP AA 8 0.3207 1.2734 1.2327 0.0929 -0.2198 -0.0762 9 ASP h CG ? ? 1 +42182 O OD1 . ASP AA 8 0.3381 1.2786 1.2341 0.0944 -0.2240 -0.0741 9 ASP h OD1 ? ? 1 +42183 O OD2 . ASP AA 8 0.3453 1.2983 1.2584 0.0992 -0.2186 -0.0747 9 ASP h OD2 ? ? 1 +42184 C C . ASP AA 8 0.2711 1.2484 1.2147 0.0650 -0.2122 -0.0864 9 ASP h C ? ? 1 +42185 O O . ASP AA 8 0.2738 1.2595 1.2227 0.0646 -0.2195 -0.0915 9 ASP h O ? ? 1 +42186 N N . ILE AA 9 0.2629 1.2446 1.2167 0.0579 -0.2031 -0.0860 10 ILE h N ? ? 1 +42187 C CA . ILE AA 9 0.2572 1.2529 1.2283 0.0487 -0.2004 -0.0913 10 ILE h CA ? ? 1 +42188 C CB . ILE AA 9 0.2596 1.2587 1.2402 0.0433 -0.1897 -0.0899 10 ILE h CB ? ? 1 +42189 C CG1 . ILE AA 9 0.2682 1.2795 1.2609 0.0505 -0.1906 -0.0919 10 ILE h CG1 ? ? 1 +42190 C CG2 . ILE AA 9 0.2538 1.2621 1.2479 0.0319 -0.1846 -0.0937 10 ILE h CG2 ? ? 1 +42191 C CD1 . ILE AA 9 0.2650 1.2787 1.2656 0.0466 -0.1802 -0.0902 10 ILE h CD1 ? ? 1 +42192 C C . ILE AA 9 0.2498 1.2388 1.2141 0.0410 -0.2007 -0.0916 10 ILE h C ? ? 1 +42193 O O . ILE AA 9 0.2398 1.2405 1.2151 0.0369 -0.2048 -0.0974 10 ILE h O ? ? 1 +42194 N N . LEU AA 10 0.2446 1.2151 1.1911 0.0389 -0.1964 -0.0855 11 LEU h N ? ? 1 +42195 C CA . LEU AA 10 0.2417 1.2046 1.1809 0.0317 -0.1958 -0.0853 11 LEU h CA ? ? 1 +42196 C CB . LEU AA 10 0.2404 1.1857 1.1651 0.0280 -0.1875 -0.0784 11 LEU h CB ? ? 1 +42197 C CG . LEU AA 10 0.2302 1.1770 1.1624 0.0227 -0.1774 -0.0764 11 LEU h CG ? ? 1 +42198 C CD1 . LEU AA 10 0.2254 1.1541 1.1414 0.0210 -0.1707 -0.0694 11 LEU h CD1 ? ? 1 +42199 C CD2 . LEU AA 10 0.2241 1.1820 1.1714 0.0128 -0.1736 -0.0810 11 LEU h CD2 ? ? 1 +42200 C C . LEU AA 10 0.2507 1.2089 1.1791 0.0361 -0.2055 -0.0867 11 LEU h C ? ? 1 +42201 O O . LEU AA 10 0.2503 1.2050 1.1750 0.0305 -0.2066 -0.0880 11 LEU h O ? ? 1 +42202 N N . ARG AA 11 0.2605 1.2182 1.1836 0.0464 -0.2126 -0.0863 12 ARG h N ? ? 1 +42203 C CA . ARG AA 11 0.2742 1.2257 1.1847 0.0521 -0.2219 -0.0869 12 ARG h CA ? ? 1 +42204 C CB . ARG AA 11 0.2882 1.2441 1.1987 0.0637 -0.2293 -0.0877 12 ARG h CB ? ? 1 +42205 C CG . ARG AA 11 0.3082 1.2609 1.2083 0.0710 -0.2404 -0.0895 12 ARG h CG ? ? 1 +42206 C CD . ARG AA 11 0.3218 1.2529 1.1974 0.0752 -0.2402 -0.0829 12 ARG h CD ? ? 1 +42207 N NE . ARG AA 11 0.3257 1.2459 1.1922 0.0670 -0.2354 -0.0805 12 ARG h NE ? ? 1 +42208 C CZ . ARG AA 11 0.3322 1.2335 1.1787 0.0680 -0.2327 -0.0745 12 ARG h CZ ? ? 1 +42209 N NH1 . ARG AA 11 0.3389 1.2291 1.1718 0.0763 -0.2338 -0.0699 12 ARG h NH1 ? ? 1 +42210 N NH2 . ARG AA 11 0.3308 1.2239 1.1707 0.0604 -0.2288 -0.0732 12 ARG h NH2 ? ? 1 +42211 C C . ARG AA 11 0.2714 1.2309 1.1881 0.0471 -0.2276 -0.0930 12 ARG h C ? ? 1 +42212 O O . ARG AA 11 0.2733 1.2214 1.1759 0.0461 -0.2302 -0.0916 12 ARG h O ? ? 1 +42213 N N . PRO AA 12 0.2623 1.2413 1.1998 0.0440 -0.2300 -0.0999 13 PRO h N ? ? 1 +42214 C CA . PRO AA 12 0.2637 1.2504 1.2073 0.0390 -0.2357 -0.1060 13 PRO h CA ? ? 1 +42215 C CB . PRO AA 12 0.2545 1.2641 1.2235 0.0362 -0.2363 -0.1129 13 PRO h CB ? ? 1 +42216 C CG . PRO AA 12 0.2517 1.2658 1.2255 0.0436 -0.2348 -0.1110 13 PRO h CG ? ? 1 +42217 C CD . PRO AA 12 0.2537 1.2485 1.2098 0.0452 -0.2276 -0.1026 13 PRO h CD ? ? 1 +42218 C C . PRO AA 12 0.2587 1.2353 1.1953 0.0291 -0.2301 -0.1044 13 PRO h C ? ? 1 +42219 O O . PRO AA 12 0.2652 1.2386 1.1958 0.0271 -0.2353 -0.1068 13 PRO h O ? ? 1 +42220 N N . LEU AA 13 0.2503 1.2214 1.1873 0.0231 -0.2195 -0.1004 14 LEU h N ? ? 1 +42221 C CA . LEU AA 13 0.2471 1.2088 1.1783 0.0137 -0.2134 -0.0988 14 LEU h CA ? ? 1 +42222 C CB . LEU AA 13 0.2334 1.1948 1.1710 0.0075 -0.2021 -0.0958 14 LEU h CB ? ? 1 +42223 C CG . LEU AA 13 0.2245 1.2047 1.1847 0.0043 -0.1995 -0.1006 14 LEU h CG ? ? 1 +42224 C CD1 . LEU AA 13 0.2139 1.1909 1.1774 -0.0027 -0.1881 -0.0974 14 LEU h CD1 ? ? 1 +42225 C CD2 . LEU AA 13 0.2258 1.2204 1.2005 -0.0009 -0.2043 -0.1083 14 LEU h CD2 ? ? 1 +42226 C C . LEU AA 13 0.2552 1.1967 1.1633 0.0158 -0.2139 -0.0933 14 LEU h C ? ? 1 +42227 O O . LEU AA 13 0.2564 1.1893 1.1582 0.0088 -0.2097 -0.0921 14 LEU h O ? ? 1 +42228 N N . ASN AA 14 0.2645 1.1980 1.1597 0.0254 -0.2183 -0.0899 15 ASN h N ? ? 1 +42229 C CA . ASN AA 14 0.2776 1.1929 1.1511 0.0279 -0.2198 -0.0855 15 ASN h CA ? ? 1 +42230 C CB . ASN AA 14 0.2751 1.1755 1.1359 0.0293 -0.2118 -0.0777 15 ASN h CB ? ? 1 +42231 C CG . ASN AA 14 0.2798 1.1616 1.1193 0.0300 -0.2117 -0.0732 15 ASN h CG ? ? 1 +42232 O OD1 . ASN AA 14 0.2806 1.1588 1.1162 0.0247 -0.2123 -0.0748 15 ASN h OD1 ? ? 1 +42233 N ND2 . ASN AA 14 0.2843 1.1540 1.1096 0.0367 -0.2109 -0.0676 15 ASN h ND2 ? ? 1 +42234 C C . ASN AA 14 0.2972 1.2118 1.1626 0.0374 -0.2304 -0.0870 15 ASN h C ? ? 1 +42235 O O . ASN AA 14 0.3106 1.2129 1.1605 0.0446 -0.2315 -0.0821 15 ASN h O ? ? 1 +42236 N N . SER AA 15 0.3047 1.2323 1.1805 0.0371 -0.2383 -0.0940 16 SER h N ? ? 1 +42237 C CA . SER AA 15 0.3211 1.2500 1.1911 0.0461 -0.2492 -0.0963 16 SER h CA ? ? 1 +42238 C CB . SER AA 15 0.3193 1.2670 1.2075 0.0507 -0.2540 -0.1012 16 SER h CB ? ? 1 +42239 O OG . SER AA 15 0.3132 1.2776 1.2209 0.0431 -0.2547 -0.1081 16 SER h OG ? ? 1 +42240 C C . SER AA 15 0.3349 1.2629 1.1999 0.0441 -0.2566 -0.1006 16 SER h C ? ? 1 +42241 O O . SER AA 15 0.3441 1.2722 1.2027 0.0517 -0.2661 -0.1026 16 SER h O ? ? 1 +42242 N N . GLU AA 16 0.3368 1.2633 1.2038 0.0343 -0.2524 -0.1020 17 GLU h N ? ? 1 +42243 C CA . GLU AA 16 0.3479 1.2743 1.2114 0.0319 -0.2594 -0.1067 17 GLU h CA ? ? 1 +42244 C CB . GLU AA 16 0.3375 1.2801 1.2213 0.0228 -0.2591 -0.1137 17 GLU h CB ? ? 1 +42245 C CG . GLU AA 16 0.3322 1.2952 1.2375 0.0247 -0.2618 -0.1186 17 GLU h CG ? ? 1 +42246 C CD . GLU AA 16 0.3301 1.3096 1.2543 0.0169 -0.2645 -0.1268 17 GLU h CD ? ? 1 +42247 O OE1 . GLU AA 16 0.3381 1.3225 1.2623 0.0189 -0.2744 -0.1321 17 GLU h OE1 ? ? 1 +42248 O OE2 . GLU AA 16 0.3153 1.3020 1.2535 0.0085 -0.2566 -0.1278 17 GLU h OE2 ? ? 1 +42249 C C . GLU AA 16 0.3590 1.2658 1.2022 0.0293 -0.2561 -0.1022 17 GLU h C ? ? 1 +42250 O O . GLU AA 16 0.3650 1.2705 1.2070 0.0233 -0.2574 -0.1054 17 GLU h O ? ? 1 +42251 N N . TYR AA 17 0.3663 1.2580 1.1935 0.0340 -0.2518 -0.0949 18 TYR h N ? ? 1 +42252 C CA . TYR AA 17 0.3765 1.2495 1.1838 0.0326 -0.2488 -0.0904 18 TYR h CA ? ? 1 +42253 C CB . TYR AA 17 0.4000 1.2588 1.1909 0.0400 -0.2462 -0.0831 18 TYR h CB ? ? 1 +42254 C CG . TYR AA 17 0.4394 1.2793 1.2101 0.0387 -0.2426 -0.0783 18 TYR h CG ? ? 1 +42255 C CD1 . TYR AA 17 0.4453 1.2788 1.2151 0.0308 -0.2333 -0.0754 18 TYR h CD1 ? ? 1 +42256 C CD2 . TYR AA 17 0.4700 1.2983 1.2222 0.0455 -0.2487 -0.0769 18 TYR h CD2 ? ? 1 +42257 C CE1 . TYR AA 17 0.4614 1.2781 1.2133 0.0298 -0.2300 -0.0713 18 TYR h CE1 ? ? 1 +42258 C CE2 . TYR AA 17 0.4798 1.2910 1.2137 0.0443 -0.2451 -0.0727 18 TYR h CE2 ? ? 1 +42259 C CZ . TYR AA 17 0.4819 1.2878 1.2162 0.0364 -0.2358 -0.0700 18 TYR h CZ ? ? 1 +42260 O OH . TYR AA 17 0.5234 1.3131 1.2405 0.0352 -0.2319 -0.0659 18 TYR h OH ? ? 1 +42261 C C . TYR AA 17 0.3741 1.2437 1.1721 0.0340 -0.2576 -0.0942 18 TYR h C ? ? 1 +42262 O O . TYR AA 17 0.3907 1.2635 1.1858 0.0417 -0.2667 -0.0965 18 TYR h O ? ? 1 +42263 N N . GLY AA 18 0.3617 1.2246 1.1547 0.0268 -0.2549 -0.0949 19 GLY h N ? ? 1 +42264 C CA . GLY AA 18 0.3633 1.2196 1.1441 0.0279 -0.2621 -0.0976 19 GLY h CA ? ? 1 +42265 C C . GLY AA 18 0.3597 1.2308 1.1538 0.0253 -0.2706 -0.1063 19 GLY h C ? ? 1 +42266 O O . GLY AA 18 0.3659 1.2320 1.1508 0.0252 -0.2766 -0.1092 19 GLY h O ? ? 1 +42267 N N . LYS AA 19 0.3446 1.2339 1.1604 0.0230 -0.2710 -0.1105 20 LYS h N ? ? 1 +42268 C CA . LYS AA 19 0.3452 1.2503 1.1757 0.0204 -0.2790 -0.1191 20 LYS h CA ? ? 1 +42269 C CB . LYS AA 19 0.3425 1.2678 1.1952 0.0219 -0.2804 -0.1227 20 LYS h CB ? ? 1 +42270 C CG . LYS AA 19 0.3527 1.2960 1.2225 0.0191 -0.2888 -0.1320 20 LYS h CG ? ? 1 +42271 C CD . LYS AA 19 0.3551 1.3175 1.2433 0.0241 -0.2932 -0.1357 20 LYS h CD ? ? 1 +42272 C CE . LYS AA 19 0.3665 1.3463 1.2702 0.0220 -0.3024 -0.1451 20 LYS h CE ? ? 1 +42273 N NZ . LYS AA 19 0.3877 1.3611 1.2770 0.0276 -0.3135 -0.1476 20 LYS h NZ ? ? 1 +42274 C C . LYS AA 19 0.3322 1.2372 1.1676 0.0090 -0.2749 -0.1222 20 LYS h C ? ? 1 +42275 O O . LYS AA 19 0.3223 1.2268 1.1642 0.0019 -0.2652 -0.1199 20 LYS h O ? ? 1 +42276 N N . VAL AA 20 0.3346 1.2394 1.1662 0.0076 -0.2824 -0.1274 21 VAL h N ? ? 1 +42277 C CA . VAL AA 20 0.3259 1.2290 1.1599 -0.0026 -0.2797 -0.1306 21 VAL h CA ? ? 1 +42278 C CB . VAL AA 20 0.3334 1.2162 1.1440 -0.0023 -0.2793 -0.1273 21 VAL h CB ? ? 1 +42279 C CG1 . VAL AA 20 0.3281 1.1953 1.1250 -0.0006 -0.2698 -0.1184 21 VAL h CG1 ? ? 1 +42280 C CG2 . VAL AA 20 0.3490 1.2276 1.1462 0.0062 -0.2906 -0.1294 21 VAL h CG2 ? ? 1 +42281 C C . VAL AA 20 0.3229 1.2425 1.1725 -0.0058 -0.2883 -0.1400 21 VAL h C ? ? 1 +42282 O O . VAL AA 20 0.3282 1.2569 1.1814 0.0012 -0.2978 -0.1436 21 VAL h O ? ? 1 +42283 N N . ALA AA 21 0.3144 1.2373 1.1731 -0.0164 -0.2847 -0.1439 22 ALA h N ? ? 1 +42284 C CA . ALA AA 21 0.3170 1.2525 1.1879 -0.0211 -0.2923 -0.1528 22 ALA h CA ? ? 1 +42285 C CB . ALA AA 21 0.3082 1.2514 1.1958 -0.0332 -0.2848 -0.1558 22 ALA h CB ? ? 1 +42286 C C . ALA AA 21 0.3282 1.2509 1.1811 -0.0202 -0.2987 -0.1544 22 ALA h C ? ? 1 +42287 O O . ALA AA 21 0.3315 1.2362 1.1668 -0.0213 -0.2934 -0.1493 22 ALA h O ? ? 1 +42288 N N . PRO AA 22 0.3348 1.2661 1.1911 -0.0182 -0.3102 -0.1616 23 PRO h N ? ? 1 +42289 C CA . PRO AA 22 0.3476 1.2661 1.1855 -0.0166 -0.3167 -0.1631 23 PRO h CA ? ? 1 +42290 C CB . PRO AA 22 0.3559 1.2900 1.2042 -0.0138 -0.3298 -0.1718 23 PRO h CB ? ? 1 +42291 C CG . PRO AA 22 0.3468 1.2993 1.2146 -0.0103 -0.3305 -0.1730 23 PRO h CG ? ? 1 +42292 C CD . PRO AA 22 0.3325 1.2862 1.2103 -0.0172 -0.3176 -0.1688 23 PRO h CD ? ? 1 +42293 C C . PRO AA 22 0.3469 1.2551 1.1796 -0.0268 -0.3111 -0.1639 23 PRO h C ? ? 1 +42294 O O . PRO AA 22 0.3402 1.2574 1.1891 -0.0365 -0.3067 -0.1676 23 PRO h O ? ? 1 +42295 N N . GLY AA 23 0.3535 1.2424 1.1631 -0.0243 -0.3110 -0.1602 24 GLY h N ? ? 1 +42296 C CA . GLY AA 23 0.3553 1.2332 1.1573 -0.0326 -0.3076 -0.1615 24 GLY h CA ? ? 1 +42297 C C . GLY AA 23 0.3404 1.2151 1.1489 -0.0418 -0.2949 -0.1582 24 GLY h C ? ? 1 +42298 O O . GLY AA 23 0.3296 1.1982 1.1341 -0.0397 -0.2866 -0.1510 24 GLY h O ? ? 1 +42299 N N . TRP AA 24 0.3387 1.2176 1.1570 -0.0520 -0.2936 -0.1637 25 TRP h N ? ? 1 +42300 C CA . TRP AA 24 0.3279 1.2033 1.1519 -0.0615 -0.2823 -0.1615 25 TRP h CA ? ? 1 +42301 C CB . TRP AA 24 0.3358 1.2076 1.1597 -0.0708 -0.2831 -0.1672 25 TRP h CB ? ? 1 +42302 C CG . TRP AA 24 0.3505 1.2037 1.1512 -0.0683 -0.2856 -0.1658 25 TRP h CG ? ? 1 +42303 C CD1 . TRP AA 24 0.3659 1.2173 1.1583 -0.0653 -0.2961 -0.1708 25 TRP h CD1 ? ? 1 +42304 N NE1 . TRP AA 24 0.3752 1.2068 1.1452 -0.0637 -0.2946 -0.1675 25 TRP h NE1 ? ? 1 +42305 C CE2 . TRP AA 24 0.3663 1.1870 1.1305 -0.0658 -0.2831 -0.1603 25 TRP h CE2 ? ? 1 +42306 C CZ2 . TRP AA 24 0.3706 1.1715 1.1149 -0.0653 -0.2773 -0.1550 25 TRP h CZ2 ? ? 1 +42307 C CH2 . TRP AA 24 0.3596 1.1541 1.1034 -0.0676 -0.2660 -0.1484 25 TRP h CH2 ? ? 1 +42308 C CZ3 . TRP AA 24 0.3450 1.1518 1.1067 -0.0705 -0.2603 -0.1470 25 TRP h CZ3 ? ? 1 +42309 C CE3 . TRP AA 24 0.3407 1.1667 1.1217 -0.0711 -0.2657 -0.1522 25 TRP h CE3 ? ? 1 +42310 C CD2 . TRP AA 24 0.3515 1.1851 1.1344 -0.0687 -0.2773 -0.1591 25 TRP h CD2 ? ? 1 +42311 C C . TRP AA 24 0.3124 1.2042 1.1592 -0.0658 -0.2769 -0.1624 25 TRP h C ? ? 1 +42312 O O . TRP AA 24 0.3031 1.1911 1.1533 -0.0720 -0.2665 -0.1589 25 TRP h O ? ? 1 +42313 N N . GLY AA 25 0.3090 1.2188 1.1712 -0.0625 -0.2840 -0.1670 26 GLY h N ? ? 1 +42314 C CA . GLY AA 25 0.2961 1.2225 1.1805 -0.0661 -0.2793 -0.1682 26 GLY h CA ? ? 1 +42315 C C . GLY AA 25 0.2903 1.2176 1.1851 -0.0786 -0.2705 -0.1699 26 GLY h C ? ? 1 +42316 O O . GLY AA 25 0.2963 1.2237 1.1934 -0.0857 -0.2730 -0.1756 26 GLY h O ? ? 1 +42317 N N . THR AA 26 0.2794 1.2059 1.1792 -0.0810 -0.2599 -0.1647 27 THR h N ? ? 1 +42318 C CA . THR AA 26 0.2739 1.2016 1.1842 -0.0923 -0.2508 -0.1658 27 THR h CA ? ? 1 +42319 C CB . THR AA 26 0.2594 1.1976 1.1844 -0.0925 -0.2434 -0.1629 27 THR h CB ? ? 1 +42320 O OG1 . THR AA 26 0.2536 1.1830 1.1658 -0.0832 -0.2413 -0.1550 27 THR h OG1 ? ? 1 +42321 C CG2 . THR AA 26 0.2557 1.2173 1.2035 -0.0923 -0.2491 -0.1697 27 THR h CG2 ? ? 1 +42322 C C . THR AA 26 0.2767 1.1840 1.1703 -0.0968 -0.2431 -0.1610 27 THR h C ? ? 1 +42323 O O . THR AA 26 0.2696 1.1748 1.1686 -0.1045 -0.2337 -0.1595 27 THR h O ? ? 1 +42324 N N . THR AA 27 0.2871 1.1794 1.1602 -0.0920 -0.2472 -0.1590 28 THR h N ? ? 1 +42325 C CA . THR AA 27 0.2909 1.1634 1.1469 -0.0949 -0.2404 -0.1542 28 THR h CA ? ? 1 +42326 C CB . THR AA 27 0.3004 1.1583 1.1340 -0.0873 -0.2463 -0.1519 28 THR h CB ? ? 1 +42327 O OG1 . THR AA 27 0.2951 1.1526 1.1224 -0.0769 -0.2479 -0.1467 28 THR h OG1 ? ? 1 +42328 C CG2 . THR AA 27 0.3040 1.1420 1.1203 -0.0903 -0.2397 -0.1477 28 THR h CG2 ? ? 1 +42329 C C . THR AA 27 0.2966 1.1673 1.1580 -0.1065 -0.2369 -0.1588 28 THR h C ? ? 1 +42330 O O . THR AA 27 0.2922 1.1524 1.1491 -0.1117 -0.2275 -0.1549 28 THR h O ? ? 1 +42331 N N . PRO AA 28 0.3069 1.1871 1.1777 -0.1111 -0.2443 -0.1673 29 PRO h N ? ? 1 +42332 C CA . PRO AA 28 0.3123 1.1908 1.1888 -0.1227 -0.2407 -0.1718 29 PRO h CA ? ? 1 +42333 C CB . PRO AA 28 0.3208 1.2133 1.2088 -0.1248 -0.2514 -0.1813 29 PRO h CB ? ? 1 +42334 C CG . PRO AA 28 0.3246 1.2192 1.2045 -0.1132 -0.2614 -0.1809 29 PRO h CG ? ? 1 +42335 C CD . PRO AA 28 0.3136 1.2065 1.1900 -0.1056 -0.2563 -0.1729 29 PRO h CD ? ? 1 +42336 C C . PRO AA 28 0.3033 1.1882 1.1949 -0.1301 -0.2304 -0.1705 29 PRO h C ? ? 1 +42337 O O . PRO AA 28 0.3042 1.1781 1.1913 -0.1370 -0.2221 -0.1684 29 PRO h O ? ? 1 +42338 N N . LEU AA 29 0.2955 1.1981 1.2047 -0.1283 -0.2309 -0.1717 30 LEU h N ? ? 1 +42339 C CA . LEU AA 29 0.2859 1.1956 1.2099 -0.1346 -0.2213 -0.1705 30 LEU h CA ? ? 1 +42340 C CB . LEU AA 29 0.2816 1.2121 1.2245 -0.1309 -0.2243 -0.1728 30 LEU h CB ? ? 1 +42341 C CG . LEU AA 29 0.2739 1.2148 1.2346 -0.1375 -0.2153 -0.1728 30 LEU h CG ? ? 1 +42342 C CD1 . LEU AA 29 0.2790 1.2212 1.2489 -0.1503 -0.2112 -0.1782 30 LEU h CD1 ? ? 1 +42343 C CD2 . LEU AA 29 0.2690 1.2319 1.2490 -0.1334 -0.2198 -0.1763 30 LEU h CD2 ? ? 1 +42344 C C . LEU AA 29 0.2766 1.1712 1.1880 -0.1329 -0.2112 -0.1615 30 LEU h C ? ? 1 +42345 O O . LEU AA 29 0.2730 1.1621 1.1863 -0.1407 -0.2021 -0.1600 30 LEU h O ? ? 1 +42346 N N . MET AA 30 0.2733 1.1608 1.1713 -0.1228 -0.2128 -0.1555 31 MET h N ? ? 1 +42347 C CA . MET AA 30 0.2648 1.1378 1.1499 -0.1205 -0.2040 -0.1469 31 MET h CA ? ? 1 +42348 C CB . MET AA 30 0.2638 1.1302 1.1345 -0.1090 -0.2078 -0.1415 31 MET h CB ? ? 1 +42349 C CG . MET AA 30 0.2593 1.1107 1.1166 -0.1067 -0.1990 -0.1329 31 MET h CG ? ? 1 +42350 S SD . MET AA 30 0.2598 1.1014 1.0986 -0.0940 -0.2027 -0.1265 31 MET h SD ? ? 1 +42351 C CE . MET AA 30 0.2737 1.1003 1.0941 -0.0943 -0.2075 -0.1282 31 MET h CE ? ? 1 +42352 C C . MET AA 30 0.2703 1.1259 1.1424 -0.1267 -0.1988 -0.1456 31 MET h C ? ? 1 +42353 O O . MET AA 30 0.2647 1.1128 1.1350 -0.1306 -0.1893 -0.1413 31 MET h O ? ? 1 +42354 N N . ALA AA 31 0.2827 1.1318 1.1454 -0.1272 -0.2054 -0.1494 32 ALA h N ? ? 1 +42355 C CA . ALA AA 31 0.2912 1.1236 1.1408 -0.1326 -0.2016 -0.1488 32 ALA h CA ? ? 1 +42356 C CB . ALA AA 31 0.3048 1.1334 1.1461 -0.1319 -0.2110 -0.1541 32 ALA h CB ? ? 1 +42357 C C . ALA AA 31 0.2909 1.1242 1.1510 -0.1439 -0.1940 -0.1512 32 ALA h C ? ? 1 +42358 O O . ALA AA 31 0.2918 1.1111 1.1427 -0.1473 -0.1861 -0.1471 32 ALA h O ? ? 1 +42359 N N . VAL AA 32 0.2918 1.1416 1.1711 -0.1496 -0.1967 -0.1580 33 VAL h N ? ? 1 +42360 C CA . VAL AA 32 0.2928 1.1453 1.1839 -0.1607 -0.1898 -0.1609 33 VAL h CA ? ? 1 +42361 C CB . VAL AA 32 0.2917 1.1652 1.2051 -0.1658 -0.1948 -0.1694 33 VAL h CB ? ? 1 +42362 C CG1 . VAL AA 32 0.2900 1.1670 1.2166 -0.1774 -0.1864 -0.1718 33 VAL h CG1 ? ? 1 +42363 C CG2 . VAL AA 32 0.3030 1.1784 1.2142 -0.1661 -0.2056 -0.1764 33 VAL h CG2 ? ? 1 +42364 C C . VAL AA 32 0.2843 1.1336 1.1770 -0.1617 -0.1787 -0.1544 33 VAL h C ? ? 1 +42365 O O . VAL AA 32 0.2848 1.1221 1.1718 -0.1678 -0.1708 -0.1522 33 VAL h O ? ? 1 +42366 N N . PHE AA 33 0.2785 1.1381 1.1785 -0.1554 -0.1784 -0.1513 34 PHE h N ? ? 1 +42367 C CA . PHE AA 33 0.2724 1.1304 1.1748 -0.1558 -0.1685 -0.1454 34 PHE h CA ? ? 1 +42368 C CB . PHE AA 33 0.2634 1.1354 1.1756 -0.1484 -0.1702 -0.1435 34 PHE h CB ? ? 1 +42369 C CG . PHE AA 33 0.2634 1.1564 1.1985 -0.1524 -0.1722 -0.1499 34 PHE h CG ? ? 1 +42370 C CD1 . PHE AA 33 0.2609 1.1597 1.2092 -0.1603 -0.1639 -0.1508 34 PHE h CD1 ? ? 1 +42371 C CD2 . PHE AA 33 0.2664 1.1732 1.2096 -0.1482 -0.1826 -0.1553 34 PHE h CD2 ? ? 1 +42372 C CE1 . PHE AA 33 0.2584 1.1770 1.2283 -0.1643 -0.1655 -0.1570 34 PHE h CE1 ? ? 1 +42373 C CE2 . PHE AA 33 0.2644 1.1912 1.2295 -0.1519 -0.1845 -0.1615 34 PHE h CE2 ? ? 1 +42374 C CZ . PHE AA 33 0.2600 1.1929 1.2386 -0.1600 -0.1759 -0.1624 34 PHE h CZ ? ? 1 +42375 C C . PHE AA 33 0.2768 1.1143 1.1591 -0.1532 -0.1626 -0.1380 34 PHE h C ? ? 1 +42376 O O . PHE AA 33 0.2754 1.1060 1.1567 -0.1575 -0.1534 -0.1344 34 PHE h O ? ? 1 +42377 N N . MET AA 34 0.2848 1.1128 1.1512 -0.1459 -0.1681 -0.1357 35 MET h N ? ? 1 +42378 C CA . MET AA 34 0.2889 1.0978 1.1360 -0.1431 -0.1633 -0.1292 35 MET h CA ? ? 1 +42379 C CB . MET AA 34 0.2998 1.1016 1.1316 -0.1344 -0.1705 -0.1276 35 MET h CB ? ? 1 +42380 C CG . MET AA 34 0.2975 1.1040 1.1283 -0.1249 -0.1724 -0.1231 35 MET h CG ? ? 1 +42381 S SD . MET AA 34 0.3154 1.1102 1.1253 -0.1151 -0.1795 -0.1205 35 MET h SD ? ? 1 +42382 C CE . MET AA 34 0.3146 1.0875 1.1058 -0.1157 -0.1702 -0.1134 35 MET h CE ? ? 1 +42383 C C . MET AA 34 0.2930 1.0893 1.1340 -0.1517 -0.1586 -0.1307 35 MET h C ? ? 1 +42384 O O . MET AA 34 0.2868 1.0712 1.1200 -0.1533 -0.1505 -0.1257 35 MET h O ? ? 1 +42385 N N . GLY AA 35 0.2996 1.0987 1.1444 -0.1570 -0.1640 -0.1377 36 GLY h N ? ? 1 +42386 C CA . GLY AA 35 0.3074 1.0964 1.1488 -0.1661 -0.1601 -0.1403 36 GLY h CA ? ? 1 +42387 C C . GLY AA 35 0.3025 1.0934 1.1544 -0.1743 -0.1505 -0.1398 36 GLY h C ? ? 1 +42388 O O . GLY AA 35 0.3038 1.0803 1.1460 -0.1771 -0.1430 -0.1358 36 GLY h O ? ? 1 +42389 N N . LEU AA 36 0.2960 1.1047 1.1676 -0.1778 -0.1509 -0.1437 37 LEU h N ? ? 1 +42390 C CA . LEU AA 36 0.2905 1.1024 1.1729 -0.1850 -0.1417 -0.1431 37 LEU h CA ? ? 1 +42391 C CB . LEU AA 36 0.2850 1.1189 1.1895 -0.1866 -0.1434 -0.1473 37 LEU h CB ? ? 1 +42392 C CG . LEU AA 36 0.2940 1.1400 1.2137 -0.1948 -0.1476 -0.1563 37 LEU h CG ? ? 1 +42393 C CD1 . LEU AA 36 0.3023 1.1383 1.2206 -0.2059 -0.1412 -0.1585 37 LEU h CD1 ? ? 1 +42394 C CD2 . LEU AA 36 0.3035 1.1520 1.2194 -0.1910 -0.1588 -0.1608 37 LEU h CD2 ? ? 1 +42395 C C . LEU AA 36 0.2813 1.0832 1.1547 -0.1811 -0.1334 -0.1346 37 LEU h C ? ? 1 +42396 O O . LEU AA 36 0.2795 1.0728 1.1509 -0.1870 -0.1249 -0.1325 37 LEU h O ? ? 1 +42397 N N . PHE AA 37 0.2748 1.0778 1.1426 -0.1712 -0.1360 -0.1298 38 PHE h N ? ? 1 +42398 C CA . PHE AA 37 0.2697 1.0653 1.1304 -0.1669 -0.1288 -0.1221 38 PHE h CA ? ? 1 +42399 C CB . PHE AA 37 0.2614 1.0632 1.1207 -0.1563 -0.1332 -0.1185 38 PHE h CB ? ? 1 +42400 C CG . PHE AA 37 0.2522 1.0490 1.1068 -0.1519 -0.1261 -0.1109 38 PHE h CG ? ? 1 +42401 C CD1 . PHE AA 37 0.2456 1.0475 1.1105 -0.1562 -0.1186 -0.1098 38 PHE h CD1 ? ? 1 +42402 C CD2 . PHE AA 37 0.2508 1.0377 1.0905 -0.1437 -0.1270 -0.1052 38 PHE h CD2 ? ? 1 +42403 C CE1 . PHE AA 37 0.2376 1.0345 1.0977 -0.1523 -0.1125 -0.1031 38 PHE h CE1 ? ? 1 +42404 C CE2 . PHE AA 37 0.2430 1.0256 1.0788 -0.1400 -0.1208 -0.0986 38 PHE h CE2 ? ? 1 +42405 C CZ . PHE AA 37 0.2361 1.0236 1.0819 -0.1442 -0.1138 -0.0977 38 PHE h CZ ? ? 1 +42406 C C . PHE AA 37 0.2774 1.0522 1.1193 -0.1672 -0.1244 -0.1178 38 PHE h C ? ? 1 +42407 O O . PHE AA 37 0.2752 1.0418 1.1130 -0.1686 -0.1162 -0.1131 38 PHE h O ? ? 1 +42408 N N . LEU AA 38 0.2898 1.0562 1.1202 -0.1656 -0.1301 -0.1196 39 LEU h N ? ? 1 +42409 C CA . LEU AA 38 0.3000 1.0469 1.1128 -0.1659 -0.1265 -0.1163 39 LEU h CA ? ? 1 +42410 C CB . LEU AA 38 0.3203 1.0606 1.1218 -0.1631 -0.1343 -0.1190 39 LEU h CB ? ? 1 +42411 C CG . LEU AA 38 0.3379 1.0580 1.1197 -0.1614 -0.1310 -0.1149 39 LEU h CG ? ? 1 +42412 C CD1 . LEU AA 38 0.3498 1.0645 1.1193 -0.1555 -0.1387 -0.1160 39 LEU h CD1 ? ? 1 +42413 C CD2 . LEU AA 38 0.3513 1.0611 1.1306 -0.1706 -0.1261 -0.1174 39 LEU h CD2 ? ? 1 +42414 C C . LEU AA 38 0.2986 1.0383 1.1131 -0.1758 -0.1193 -0.1178 39 LEU h C ? ? 1 +42415 O O . LEU AA 38 0.2981 1.0251 1.1033 -0.1763 -0.1121 -0.1129 39 LEU h O ? ? 1 +42416 N N . VAL AA 39 0.2967 1.0446 1.1231 -0.1837 -0.1214 -0.1248 40 VAL h N ? ? 1 +42417 C CA . VAL AA 39 0.2982 1.0401 1.1273 -0.1939 -0.1147 -0.1268 40 VAL h CA ? ? 1 +42418 C CB . VAL AA 39 0.3043 1.0575 1.1477 -0.2022 -0.1188 -0.1355 40 VAL h CB ? ? 1 +42419 C CG1 . VAL AA 39 0.3112 1.0575 1.1573 -0.2132 -0.1113 -0.1377 40 VAL h CG1 ? ? 1 +42420 C CG2 . VAL AA 39 0.3136 1.0649 1.1506 -0.2004 -0.1282 -0.1401 40 VAL h CG2 ? ? 1 +42421 C C . VAL AA 39 0.2857 1.0289 1.1205 -0.1957 -0.1055 -0.1225 40 VAL h C ? ? 1 +42422 O O . VAL AA 39 0.2879 1.0181 1.1155 -0.1998 -0.0979 -0.1198 40 VAL h O ? ? 1 +42423 N N . PHE AA 40 0.2715 1.0302 1.1189 -0.1922 -0.1062 -0.1218 41 PHE h N ? ? 1 +42424 C CA . PHE AA 40 0.2623 1.0234 1.1156 -0.1933 -0.0980 -0.1178 41 PHE h CA ? ? 1 +42425 C CB . PHE AA 40 0.2516 1.0317 1.1196 -0.1889 -0.1009 -0.1184 41 PHE h CB ? ? 1 +42426 C CG . PHE AA 40 0.2443 1.0271 1.1175 -0.1887 -0.0930 -0.1140 41 PHE h CG ? ? 1 +42427 C CD1 . PHE AA 40 0.2474 1.0322 1.1298 -0.1974 -0.0856 -0.1157 41 PHE h CD1 ? ? 1 +42428 C CD2 . PHE AA 40 0.2366 1.0191 1.1049 -0.1800 -0.0925 -0.1080 41 PHE h CD2 ? ? 1 +42429 C CE1 . PHE AA 40 0.2407 1.0274 1.1271 -0.1971 -0.0782 -0.1116 41 PHE h CE1 ? ? 1 +42430 C CE2 . PHE AA 40 0.2298 1.0141 1.1021 -0.1798 -0.0853 -0.1040 41 PHE h CE2 ? ? 1 +42431 C CZ . PHE AA 40 0.2323 1.0187 1.1134 -0.1882 -0.0782 -0.1057 41 PHE h CZ ? ? 1 +42432 C C . PHE AA 40 0.2591 1.0043 1.0961 -0.1882 -0.0926 -0.1100 41 PHE h C ? ? 1 +42433 O O . PHE AA 40 0.2585 0.9947 1.0921 -0.1924 -0.0845 -0.1072 41 PHE h O ? ? 1 +42434 N N . LEU AA 41 0.2564 0.9981 1.0831 -0.1791 -0.0972 -0.1065 42 LEU h N ? ? 1 +42435 C CA . LEU AA 41 0.2557 0.9833 1.0672 -0.1738 -0.0929 -0.0994 42 LEU h CA ? ? 1 +42436 C CB . LEU AA 41 0.2549 0.9817 1.0576 -0.1640 -0.0993 -0.0968 42 LEU h CB ? ? 1 +42437 C CG . LEU AA 41 0.2461 0.9873 1.0580 -0.1577 -0.1024 -0.0956 42 LEU h CG ? ? 1 +42438 C CD1 . LEU AA 41 0.2465 0.9853 1.0483 -0.1487 -0.1087 -0.0934 42 LEU h CD1 ? ? 1 +42439 C CD2 . LEU AA 41 0.2375 0.9791 1.0516 -0.1563 -0.0951 -0.0902 42 LEU h CD2 ? ? 1 +42440 C C . LEU AA 41 0.2645 0.9738 1.0628 -0.1782 -0.0887 -0.0986 42 LEU h C ? ? 1 +42441 O O . LEU AA 41 0.2629 0.9618 1.0537 -0.1780 -0.0818 -0.0937 42 LEU h O ? ? 1 +42442 N N . LEU AA 42 0.2747 0.9802 1.0699 -0.1819 -0.0930 -0.1036 43 LEU h N ? ? 1 +42443 C CA . LEU AA 42 0.2858 0.9742 1.0690 -0.1866 -0.0894 -0.1037 43 LEU h CA ? ? 1 +42444 C CB . LEU AA 42 0.2977 0.9853 1.0796 -0.1898 -0.0962 -0.1100 43 LEU h CB ? ? 1 +42445 C CG . LEU AA 42 0.3102 0.9800 1.0741 -0.1882 -0.0970 -0.1091 43 LEU h CG ? ? 1 +42446 C CD1 . LEU AA 42 0.3070 0.9714 1.0584 -0.1777 -0.0991 -0.1035 43 LEU h CD1 ? ? 1 +42447 C CD2 . LEU AA 42 0.3209 0.9919 1.0852 -0.1917 -0.1040 -0.1158 43 LEU h CD2 ? ? 1 +42448 C C . LEU AA 42 0.2877 0.9728 1.0760 -0.1951 -0.0809 -0.1038 43 LEU h C ? ? 1 +42449 O O . LEU AA 42 0.2919 0.9619 1.0689 -0.1959 -0.0748 -0.1000 43 LEU h O ? ? 1 +42450 N N . ILE AA 43 0.2838 0.9830 1.0891 -0.2012 -0.0806 -0.1083 44 ILE h N ? ? 1 +42451 C CA . ILE AA 43 0.2846 0.9820 1.0960 -0.2096 -0.0723 -0.1087 44 ILE h CA ? ? 1 +42452 C CB . ILE AA 43 0.2810 0.9969 1.1130 -0.2161 -0.0735 -0.1148 44 ILE h CB ? ? 1 +42453 C CG1 . ILE AA 43 0.2906 1.0096 1.1266 -0.2215 -0.0798 -0.1223 44 ILE h CG1 ? ? 1 +42454 C CG2 . ILE AA 43 0.2815 0.9966 1.1201 -0.2236 -0.0640 -0.1142 44 ILE h CG2 ? ? 1 +42455 C CD1 . ILE AA 43 0.2879 1.0283 1.1463 -0.2270 -0.0827 -0.1292 44 ILE h CD1 ? ? 1 +42456 C C . ILE AA 43 0.2760 0.9681 1.0830 -0.2062 -0.0648 -0.1017 44 ILE h C ? ? 1 +42457 O O . ILE AA 43 0.2804 0.9583 1.0785 -0.2095 -0.0580 -0.0991 44 ILE h O ? ? 1 +42458 N N . ILE AA 44 0.2638 0.9673 1.0770 -0.1997 -0.0662 -0.0989 45 ILE h N ? ? 1 +42459 C CA . ILE AA 44 0.2582 0.9590 1.0694 -0.1969 -0.0594 -0.0929 45 ILE h CA ? ? 1 +42460 C CB . ILE AA 44 0.2459 0.9632 1.0685 -0.1912 -0.0615 -0.0916 45 ILE h CB ? ? 1 +42461 C CG1 . ILE AA 44 0.2420 0.9610 1.0582 -0.1814 -0.0689 -0.0896 45 ILE h CG1 ? ? 1 +42462 C CG2 . ILE AA 44 0.2436 0.9789 1.0856 -0.1965 -0.0630 -0.0975 45 ILE h CG2 ? ? 1 +42463 C CD1 . ILE AA 44 0.2305 0.9630 1.0554 -0.1753 -0.0708 -0.0877 45 ILE h CD1 ? ? 1 +42464 C C . ILE AA 44 0.2595 0.9429 1.0521 -0.1913 -0.0572 -0.0869 45 ILE h C ? ? 1 +42465 O O . ILE AA 44 0.2575 0.9328 1.0448 -0.1914 -0.0503 -0.0824 45 ILE h O ? ? 1 +42466 N N . LEU AA 45 0.2625 0.9405 1.0453 -0.1865 -0.0633 -0.0870 46 LEU h N ? ? 1 +42467 C CA . LEU AA 45 0.2655 0.9272 1.0308 -0.1814 -0.0618 -0.0821 46 LEU h CA ? ? 1 +42468 C CB . LEU AA 45 0.2662 0.9266 1.0238 -0.1752 -0.0695 -0.0828 46 LEU h CB ? ? 1 +42469 C CG . LEU AA 45 0.2725 0.9150 1.0116 -0.1711 -0.0683 -0.0790 46 LEU h CG ? ? 1 +42470 C CD1 . LEU AA 45 0.2646 0.9027 0.9977 -0.1650 -0.0639 -0.0722 46 LEU h CD1 ? ? 1 +42471 C CD2 . LEU AA 45 0.2754 0.9167 1.0074 -0.1659 -0.0756 -0.0804 46 LEU h CD2 ? ? 1 +42472 C C . LEU AA 45 0.2779 0.9235 1.0342 -0.1879 -0.0565 -0.0826 46 LEU h C ? ? 1 +42473 O O . LEU AA 45 0.2805 0.9139 1.0266 -0.1862 -0.0510 -0.0778 46 LEU h O ? ? 1 +42474 N N . GLU AA 46 0.2865 0.9320 1.0462 -0.1950 -0.0585 -0.0885 47 GLU h N ? ? 1 +42475 C CA . GLU AA 46 0.2998 0.9289 1.0499 -0.2011 -0.0540 -0.0893 47 GLU h CA ? ? 1 +42476 C CB . GLU AA 46 0.3100 0.9389 1.0614 -0.2066 -0.0591 -0.0960 47 GLU h CB ? ? 1 +42477 C CG . GLU AA 46 0.3110 0.9377 1.0534 -0.1995 -0.0667 -0.0962 47 GLU h CG ? ? 1 +42478 C CD . GLU AA 46 0.3223 0.9468 1.0633 -0.2036 -0.0724 -0.1025 47 GLU h CD ? ? 1 +42479 O OE1 . GLU AA 46 0.3339 0.9536 1.0770 -0.2125 -0.0695 -0.1064 47 GLU h OE1 ? ? 1 +42480 O OE2 . GLU AA 46 0.3218 0.9494 1.0594 -0.1981 -0.0796 -0.1037 47 GLU h OE2 ? ? 1 +42481 C C . GLU AA 46 0.3022 0.9286 1.0566 -0.2077 -0.0454 -0.0882 47 GLU h C ? ? 1 +42482 O O . GLU AA 46 0.3126 0.9230 1.0563 -0.2109 -0.0401 -0.0866 47 GLU h O ? ? 1 +42483 N N . ILE AA 47 0.2937 0.9353 1.0631 -0.2094 -0.0438 -0.0888 48 ILE h N ? ? 1 +42484 C CA . ILE AA 47 0.2936 0.9334 1.0669 -0.2145 -0.0353 -0.0871 48 ILE h CA ? ? 1 +42485 C CB . ILE AA 47 0.2839 0.9435 1.0768 -0.2178 -0.0351 -0.0901 48 ILE h CB ? ? 1 +42486 C CG1 . ILE AA 47 0.2907 0.9589 1.0954 -0.2261 -0.0380 -0.0977 48 ILE h CG1 ? ? 1 +42487 C CG2 . ILE AA 47 0.2819 0.9396 1.0771 -0.2207 -0.0261 -0.0868 48 ILE h CG2 ? ? 1 +42488 C CD1 . ILE AA 47 0.2808 0.9718 1.1067 -0.2279 -0.0399 -0.1015 48 ILE h CD1 ? ? 1 +42489 C C . ILE AA 47 0.2890 0.9193 1.0512 -0.2079 -0.0309 -0.0797 48 ILE h C ? ? 1 +42490 O O . ILE AA 47 0.2970 0.9131 1.0499 -0.2104 -0.0244 -0.0770 48 ILE h O ? ? 1 +42491 N N . TYR AA 48 0.2774 0.9157 1.0407 -0.1994 -0.0344 -0.0766 49 TYR h N ? ? 1 +42492 C CA . TYR AA 48 0.2743 0.9040 1.0269 -0.1925 -0.0312 -0.0698 49 TYR h CA ? ? 1 +42493 C CB . TYR AA 48 0.2614 0.9018 1.0169 -0.1836 -0.0365 -0.0675 49 TYR h CB ? ? 1 +42494 C CG . TYR AA 48 0.2523 0.8937 1.0069 -0.1786 -0.0325 -0.0619 49 TYR h CG ? ? 1 +42495 C CD1 . TYR AA 48 0.2564 0.8833 0.9992 -0.1776 -0.0267 -0.0573 49 TYR h CD1 ? ? 1 +42496 C CD2 . TYR AA 48 0.2404 0.8966 1.0052 -0.1743 -0.0349 -0.0612 49 TYR h CD2 ? ? 1 +42497 C CE1 . TYR AA 48 0.2484 0.8760 0.9899 -0.1727 -0.0235 -0.0522 49 TYR h CE1 ? ? 1 +42498 C CE2 . TYR AA 48 0.2328 0.8895 0.9962 -0.1695 -0.0315 -0.0561 49 TYR h CE2 ? ? 1 +42499 C CZ . TYR AA 48 0.2366 0.8790 0.9884 -0.1688 -0.0259 -0.0517 49 TYR h CZ ? ? 1 +42500 O OH . TYR AA 48 0.2286 0.8710 0.9785 -0.1640 -0.0227 -0.0468 49 TYR h OH ? ? 1 +42501 C C . TYR AA 48 0.2836 0.8939 1.0184 -0.1908 -0.0300 -0.0674 49 TYR h C ? ? 1 +42502 O O . TYR AA 48 0.2860 0.8850 1.0116 -0.1892 -0.0245 -0.0628 49 TYR h O ? ? 1 +42503 N N . ASN AA 49 0.2904 0.8968 1.0203 -0.1910 -0.0351 -0.0706 50 ASN h N ? ? 1 +42504 C CA . ASN AA 49 0.3001 0.8887 1.0133 -0.1889 -0.0347 -0.0688 50 ASN h CA ? ? 1 +42505 C CB . ASN AA 49 0.3026 0.8924 1.0128 -0.1862 -0.0424 -0.0719 50 ASN h CB ? ? 1 +42506 C CG . ASN AA 49 0.3090 0.8824 1.0017 -0.1813 -0.0428 -0.0693 50 ASN h CG ? ? 1 +42507 O OD1 . ASN AA 49 0.3213 0.8848 1.0067 -0.1844 -0.0440 -0.0722 50 ASN h OD1 ? ? 1 +42508 N ND2 . ASN AA 49 0.3015 0.8721 0.9876 -0.1736 -0.0418 -0.0638 50 ASN h ND2 ? ? 1 +42509 C C . ASN AA 49 0.3156 0.8893 1.0220 -0.1965 -0.0291 -0.0701 50 ASN h C ? ? 1 +42510 O O . ASN AA 49 0.3233 0.8811 1.0151 -0.1944 -0.0278 -0.0680 50 ASN h O ? ? 1 +42511 N N . SER AA 50 0.3207 0.8996 1.0376 -0.2053 -0.0262 -0.0739 51 SER h N ? ? 1 +42512 C CA . SER AA 50 0.3366 0.9024 1.0484 -0.2137 -0.0215 -0.0763 51 SER h CA ? ? 1 +42513 C CB . SER AA 50 0.3428 0.8911 1.0407 -0.2122 -0.0144 -0.0709 51 SER h CB ? ? 1 +42514 O OG . SER AA 50 0.3343 0.8886 1.0379 -0.2111 -0.0097 -0.0673 51 SER h OG ? ? 1 +42515 C C . SER AA 50 0.3497 0.9078 1.0551 -0.2162 -0.0259 -0.0806 51 SER h C ? ? 1 +42516 O O . SER AA 50 0.3639 0.9063 1.0595 -0.2208 -0.0223 -0.0813 51 SER h O ? ? 1 +42517 N N . THR AA 51 0.3467 0.9155 1.0571 -0.2130 -0.0338 -0.0837 52 THR h N ? ? 1 +42518 C CA . THR AA 51 0.3598 0.9249 1.0677 -0.2167 -0.0387 -0.0891 52 THR h CA ? ? 1 +42519 C CB . THR AA 51 0.3539 0.9247 1.0593 -0.2088 -0.0469 -0.0894 52 THR h CB ? ? 1 +42520 O OG1 . THR AA 51 0.3525 0.9110 1.0426 -0.2006 -0.0461 -0.0839 52 THR h OG1 ? ? 1 +42521 C CG2 . THR AA 51 0.3635 0.9336 1.0685 -0.2128 -0.0529 -0.0958 52 THR h CG2 ? ? 1 +42522 C C . THR AA 51 0.3663 0.9423 1.0894 -0.2266 -0.0389 -0.0956 52 THR h C ? ? 1 +42523 O O . THR AA 51 0.3787 0.9478 1.0997 -0.2334 -0.0395 -0.1002 52 THR h O ? ? 1 +42524 N N . LEU AA 52 0.3587 0.9519 1.0975 -0.2275 -0.0385 -0.0960 53 LEU h N ? ? 1 +42525 C CA . LEU AA 52 0.3664 0.9707 1.1209 -0.2369 -0.0375 -0.1018 53 LEU h CA ? ? 1 +42526 C CB . LEU AA 52 0.3555 0.9820 1.1261 -0.2345 -0.0447 -0.1052 53 LEU h CB ? ? 1 +42527 C CG . LEU AA 52 0.3574 0.9984 1.1462 -0.2435 -0.0447 -0.1116 53 LEU h CG ? ? 1 +42528 C CD1 . LEU AA 52 0.3736 1.0069 1.1608 -0.2525 -0.0454 -0.1176 53 LEU h CD1 ? ? 1 +42529 C CD2 . LEU AA 52 0.3473 1.0089 1.1500 -0.2395 -0.0525 -0.1146 53 LEU h CD2 ? ? 1 +42530 C C . LEU AA 52 0.3706 0.9731 1.1287 -0.2412 -0.0283 -0.0989 53 LEU h C ? ? 1 +42531 O O . LEU AA 52 0.3634 0.9708 1.1230 -0.2357 -0.0261 -0.0942 53 LEU h O ? ? 1 +42532 N N . ILE AA 53 0.3872 0.9814 1.1452 -0.2510 -0.0230 -0.1018 54 ILE h N ? ? 1 +42533 C CA . ILE AA 53 0.3940 0.9838 1.1535 -0.2562 -0.0136 -0.0994 54 ILE h CA ? ? 1 +42534 C CB . ILE AA 53 0.4093 0.9744 1.1499 -0.2578 -0.0077 -0.0962 54 ILE h CB ? ? 1 +42535 C CG1 . ILE AA 53 0.4076 0.9616 1.1318 -0.2470 -0.0100 -0.0904 54 ILE h CG1 ? ? 1 +42536 C CG2 . ILE AA 53 0.4136 0.9726 1.1542 -0.2631 0.0022 -0.0936 54 ILE h CG2 ? ? 1 +42537 C CD1 . ILE AA 53 0.4243 0.9549 1.1299 -0.2479 -0.0067 -0.0887 54 ILE h CD1 ? ? 1 +42538 C C . ILE AA 53 0.4024 1.0042 1.1790 -0.2667 -0.0117 -0.1056 54 ILE h C ? ? 1 +42539 O O . ILE AA 53 0.4119 1.0103 1.1897 -0.2742 -0.0129 -0.1110 54 ILE h O ? ? 1 +42540 N N . LEU AA 54 0.4000 1.0160 1.1900 -0.2673 -0.0084 -0.1049 55 LEU h N ? ? 1 +42541 C CA . LEU AA 54 0.4057 1.0363 1.2142 -0.2764 -0.0067 -0.1106 55 LEU h CA ? ? 1 +42542 C CB . LEU AA 54 0.3899 1.0441 1.2152 -0.2716 -0.0117 -0.1119 55 LEU h CB ? ? 1 +42543 C CG . LEU AA 54 0.3854 1.0478 1.2113 -0.2643 -0.0226 -0.1137 55 LEU h CG ? ? 1 +42544 C CD1 . LEU AA 54 0.3724 1.0576 1.2153 -0.2603 -0.0270 -0.1151 55 LEU h CD1 ? ? 1 +42545 C CD2 . LEU AA 54 0.3959 1.0564 1.2223 -0.2701 -0.0278 -0.1202 55 LEU h CD2 ? ? 1 +42546 C C . LEU AA 54 0.4191 1.0431 1.2280 -0.2832 0.0042 -0.1087 55 LEU h C ? ? 1 +42547 O O . LEU AA 54 0.4114 1.0261 1.2104 -0.2786 0.0093 -0.1024 55 LEU h O ? ? 1 +42548 N N . ASP AA 55 0.4402 1.0691 1.2605 -0.2942 0.0075 -0.1143 56 ASP h N ? ? 1 +42549 C CA . ASP AA 55 0.4562 1.0801 1.2785 -0.3017 0.0181 -0.1133 56 ASP h CA ? ? 1 +42550 C CB . ASP AA 55 0.4751 1.1053 1.3109 -0.3144 0.0205 -0.1207 56 ASP h CB ? ? 1 +42551 C CG . ASP AA 55 0.5053 1.1153 1.3278 -0.3210 0.0224 -0.1224 56 ASP h CG ? ? 1 +42552 O OD1 . ASP AA 55 0.5233 1.1122 1.3277 -0.3196 0.0281 -0.1171 56 ASP h OD1 ? ? 1 +42553 O OD2 . ASP AA 55 0.5214 1.1363 1.3513 -0.3275 0.0181 -0.1292 56 ASP h OD2 ? ? 1 +42554 C C . ASP AA 55 0.4432 1.0801 1.2748 -0.2975 0.0214 -0.1099 56 ASP h C ? ? 1 +42555 O O . ASP AA 55 0.4292 1.0869 1.2767 -0.2950 0.0165 -0.1125 56 ASP h O ? ? 1 +42556 N N . GLY AA 56 0.4490 1.0730 1.2699 -0.2965 0.0296 -0.1040 57 GLY h N ? ? 1 +42557 C CA . GLY AA 56 0.4419 1.0753 1.2692 -0.2926 0.0336 -0.1004 57 GLY h CA ? ? 1 +42558 C C . GLY AA 56 0.4321 1.0728 1.2574 -0.2802 0.0273 -0.0962 57 GLY h C ? ? 1 +42559 O O . GLY AA 56 0.4257 1.0772 1.2585 -0.2765 0.0292 -0.0939 57 GLY h O ? ? 1 +42560 N N . VAL AA 57 0.4370 1.0714 1.2520 -0.2738 0.0200 -0.0951 58 VAL h N ? ? 1 +42561 C CA . VAL AA 57 0.4252 1.0650 1.2371 -0.2622 0.0141 -0.0911 58 VAL h CA ? ? 1 +42562 C CB . VAL AA 57 0.4146 1.0677 1.2341 -0.2584 0.0036 -0.0951 58 VAL h CB ? ? 1 +42563 C CG1 . VAL AA 57 0.3985 1.0548 1.2128 -0.2464 -0.0018 -0.0904 58 VAL h CG1 ? ? 1 +42564 C CG2 . VAL AA 57 0.4100 1.0846 1.2513 -0.2637 0.0017 -0.1014 58 VAL h CG2 ? ? 1 +42565 C C . VAL AA 57 0.4380 1.0571 1.2287 -0.2564 0.0159 -0.0849 58 VAL h C ? ? 1 +42566 O O . VAL AA 57 0.4426 1.0514 1.2226 -0.2544 0.0116 -0.0851 58 VAL h O ? ? 1 +42567 N N . ASN AA 58 0.4479 1.0616 1.2332 -0.2536 0.0221 -0.0795 59 ASN h N ? ? 1 +42568 C CA . ASN AA 58 0.4668 1.0614 1.2328 -0.2482 0.0248 -0.0734 59 ASN h CA ? ? 1 +42569 C CB . ASN AA 58 0.4901 1.0740 1.2510 -0.2529 0.0349 -0.0705 59 ASN h CB ? ? 1 +42570 C CG . ASN AA 58 0.5187 1.0831 1.2599 -0.2472 0.0377 -0.0642 59 ASN h CG ? ? 1 +42571 O OD1 . ASN AA 58 0.5415 1.0939 1.2702 -0.2440 0.0343 -0.0633 59 ASN h OD1 ? ? 1 +42572 N ND2 . ASN AA 58 0.5330 1.0943 1.2708 -0.2452 0.0436 -0.0598 59 ASN h ND2 ? ? 1 +42573 C C . ASN AA 58 0.4544 1.0542 1.2174 -0.2368 0.0200 -0.0688 59 ASN h C ? ? 1 +42574 O O . ASN AA 58 0.4388 1.0468 1.2072 -0.2335 0.0222 -0.0661 59 ASN h O ? ? 1 +42575 N N . VAL AA 59 0.4510 1.0456 1.2052 -0.2309 0.0135 -0.0681 60 VAL h N ? ? 1 +42576 C CA . VAL AA 59 0.4351 1.0361 1.1878 -0.2206 0.0080 -0.0648 60 VAL h CA ? ? 1 +42577 C CB . VAL AA 59 0.4295 1.0322 1.1801 -0.2171 -0.0005 -0.0672 60 VAL h CB ? ? 1 +42578 C CG1 . VAL AA 59 0.4159 1.0236 1.1635 -0.2064 -0.0057 -0.0633 60 VAL h CG1 ? ? 1 +42579 C CG2 . VAL AA 59 0.4272 1.0448 1.1932 -0.2228 -0.0048 -0.0740 60 VAL h CG2 ? ? 1 +42580 C C . VAL AA 59 0.4471 1.0340 1.1850 -0.2149 0.0121 -0.0581 60 VAL h C ? ? 1 +42581 O O . VAL AA 59 0.4536 1.0272 1.1774 -0.2107 0.0105 -0.0557 60 VAL h O ? ? 1 +42582 N N . SER AA 60 0.4506 1.0413 1.1923 -0.2145 0.0173 -0.0554 61 SER h N ? ? 1 +42583 C CA . SER AA 60 0.4595 1.0373 1.1884 -0.2104 0.0221 -0.0495 61 SER h CA ? ? 1 +42584 C CB . SER AA 60 0.4809 1.0407 1.1992 -0.2169 0.0290 -0.0491 61 SER h CB ? ? 1 +42585 O OG . SER AA 60 0.4966 1.0442 1.2025 -0.2125 0.0336 -0.0434 61 SER h OG ? ? 1 +42586 C C . SER AA 60 0.4554 1.0439 1.1927 -0.2085 0.0252 -0.0473 61 SER h C ? ? 1 +42587 O O . SER AA 60 0.4511 1.0541 1.2033 -0.2126 0.0257 -0.0507 61 SER h O ? ? 1 +42588 N N . TRP AA 61 0.4717 1.0529 1.1993 -0.2021 0.0273 -0.0417 62 TRP h N ? ? 1 +42589 C CA . TRP AA 61 0.4813 1.0689 1.2138 -0.2007 0.0314 -0.0393 62 TRP h CA ? ? 1 +42590 C CB . TRP AA 61 0.4648 1.0412 1.1836 -0.1934 0.0330 -0.0331 62 TRP h CB ? ? 1 +42591 C CG . TRP AA 61 0.4287 1.0083 1.1443 -0.1843 0.0262 -0.0308 62 TRP h CG ? ? 1 +42592 C CD1 . TRP AA 61 0.4232 0.9918 1.1266 -0.1799 0.0231 -0.0291 62 TRP h CD1 ? ? 1 +42593 N NE1 . TRP AA 61 0.4153 0.9911 1.1196 -0.1719 0.0175 -0.0271 62 TRP h NE1 ? ? 1 +42594 C CE2 . TRP AA 61 0.4022 0.9932 1.1187 -0.1708 0.0169 -0.0274 62 TRP h CE2 ? ? 1 +42595 C CZ2 . TRP AA 61 0.3855 0.9876 1.1070 -0.1639 0.0123 -0.0259 62 TRP h CZ2 ? ? 1 +42596 C CH2 . TRP AA 61 0.3776 0.9938 1.1117 -0.1644 0.0130 -0.0268 62 TRP h CH2 ? ? 1 +42597 C CZ3 . TRP AA 61 0.3757 0.9956 1.1177 -0.1715 0.0182 -0.0293 62 TRP h CZ3 ? ? 1 +42598 C CE3 . TRP AA 61 0.3862 0.9954 1.1236 -0.1786 0.0230 -0.0307 62 TRP h CE3 ? ? 1 +42599 C CD2 . TRP AA 61 0.4031 0.9972 1.1272 -0.1783 0.0223 -0.0298 62 TRP h CD2 ? ? 1 +42600 C C . TRP AA 61 0.5294 1.1147 1.2659 -0.2097 0.0393 -0.0411 62 TRP h C ? ? 1 +42601 O O . TRP AA 61 0.5439 1.1402 1.2909 -0.2113 0.0423 -0.0416 62 TRP h O ? ? 1 +42602 N N . LYS AA 62 0.5998 1.1703 1.3275 -0.2156 0.0429 -0.0421 63 LYS h N ? ? 1 +42603 C CA . LYS AA 62 0.6679 1.2336 1.3974 -0.2247 0.0509 -0.0437 63 LYS h CA ? ? 1 +42604 C CB . LYS AA 62 0.7073 1.2516 1.4212 -0.2285 0.0542 -0.0431 63 LYS h CB ? ? 1 +42605 C CG . LYS AA 62 0.7310 1.2581 1.4263 -0.2216 0.0558 -0.0370 63 LYS h CG ? ? 1 +42606 C CD . LYS AA 62 0.7780 1.2840 1.4574 -0.2240 0.0577 -0.0365 63 LYS h CD ? ? 1 +42607 C CE . LYS AA 62 0.8300 1.3242 1.5054 -0.2332 0.0663 -0.0374 63 LYS h CE ? ? 1 +42608 N NZ . LYS AA 62 0.8438 1.3312 1.5124 -0.2315 0.0730 -0.0328 63 LYS h NZ ? ? 1 +42609 C C . LYS AA 62 0.7037 1.2855 1.4516 -0.2324 0.0510 -0.0497 63 LYS h C ? ? 1 +42610 O O . LYS AA 62 0.7615 1.3397 1.5120 -0.2411 0.0574 -0.0520 63 LYS h O ? ? 1 +42611 N N . ALA AA 63 0.7266 1.3262 1.4874 -0.2292 0.0439 -0.0524 64 ALA h N ? ? 1 +42612 C CA . ALA AA 63 0.7539 1.3717 1.5338 -0.2349 0.0435 -0.0578 64 ALA h CA ? ? 1 +42613 C CB . ALA AA 63 0.7399 1.3697 1.5281 -0.2327 0.0342 -0.0617 64 ALA h CB ? ? 1 +42614 C C . ALA AA 63 0.7863 1.4173 1.5764 -0.2326 0.0463 -0.0564 64 ALA h C ? ? 1 +42615 O O . ALA AA 63 0.7980 1.4444 1.6045 -0.2373 0.0470 -0.0607 64 ALA h O ? ? 1 +42616 N N . LEU AA 64 0.7997 1.4242 1.5800 -0.2256 0.0479 -0.0507 65 LEU h N ? ? 1 +42617 C CA . LEU AA 64 0.8008 1.4358 1.5884 -0.2223 0.0504 -0.0488 65 LEU h CA ? ? 1 +42618 C CB . LEU AA 64 0.8068 1.4362 1.5831 -0.2120 0.0477 -0.0429 65 LEU h CB ? ? 1 +42619 C CG . LEU AA 64 0.7981 1.4373 1.5775 -0.2036 0.0384 -0.0426 65 LEU h CG ? ? 1 +42620 C CD1 . LEU AA 64 0.7791 1.4372 1.5731 -0.2004 0.0364 -0.0435 65 LEU h CD1 ? ? 1 +42621 C CD2 . LEU AA 64 0.7969 1.4388 1.5794 -0.2056 0.0322 -0.0467 65 LEU h CD2 ? ? 1 +42622 C C . LEU AA 64 0.8008 1.4307 1.5886 -0.2292 0.0607 -0.0484 65 LEU h C ? ? 1 +42623 O O . LEU AA 64 0.7815 1.4023 1.5664 -0.2373 0.0656 -0.0504 65 LEU h O ? ? 1 +42624 O OXT . LEU AA 64 0.7930 1.4278 1.5835 -0.2267 0.0642 -0.0461 65 LEU h OXT ? ? 1 +42625 N N . FME AB 1 0.2709 1.1026 1.1101 0.0483 0.0447 0.0008 1 FME i N ? ? 1 +42626 C CN . FME AB 1 0.2724 1.1077 1.1167 0.0412 0.0482 0.0016 1 FME i CN ? ? 1 +42627 O O1 . FME AB 1 0.2795 1.1091 1.1179 0.0372 0.0537 0.0035 1 FME i O1 ? ? 1 +42628 C CA . FME AB 1 0.2690 1.0890 1.0946 0.0521 0.0467 0.0021 1 FME i CA ? ? 1 +42629 C CB . FME AB 1 0.2654 1.0812 1.0861 0.0597 0.0411 0.0012 1 FME i CB ? ? 1 +42630 C CG . FME AB 1 0.2569 1.0656 1.0719 0.0587 0.0337 0.0027 1 FME i CG ? ? 1 +42631 S SD . FME AB 1 0.2517 1.0463 1.0537 0.0514 0.0341 0.0066 1 FME i SD ? ? 1 +42632 C CE . FME AB 1 0.2484 1.0346 1.0432 0.0529 0.0254 0.0077 1 FME i CE ? ? 1 +42633 C C . FME AB 1 0.2734 1.0977 1.1017 0.0532 0.0548 0.0009 1 FME i C ? ? 1 +42634 O O . FME AB 1 0.2623 1.0761 1.0790 0.0517 0.0587 0.0030 1 FME i O ? ? 1 +42635 N N . GLU AB 2 0.2955 1.1352 1.1390 0.0552 0.0571 -0.0022 2 GLU i N ? ? 1 +42636 C CA . GLU AB 2 0.3094 1.1532 1.1553 0.0561 0.0653 -0.0033 2 GLU i CA ? ? 1 +42637 C CB . GLU AB 2 0.3323 1.1936 1.1954 0.0599 0.0666 -0.0073 2 GLU i CB ? ? 1 +42638 C CG . GLU AB 2 0.3731 1.2385 1.2381 0.0637 0.0740 -0.0090 2 GLU i CG ? ? 1 +42639 C CD . GLU AB 2 0.4064 1.2642 1.2616 0.0721 0.0729 -0.0095 2 GLU i CD ? ? 1 +42640 O OE1 . GLU AB 2 0.4041 1.2482 1.2456 0.0739 0.0678 -0.0074 2 GLU i OE1 ? ? 1 +42641 O OE2 . GLU AB 2 0.4248 1.2907 1.2865 0.0770 0.0773 -0.0121 2 GLU i OE2 ? ? 1 +42642 C C . GLU AB 2 0.2876 1.1291 1.1319 0.0483 0.0715 -0.0013 2 GLU i C ? ? 1 +42643 O O . GLU AB 2 0.2750 1.1094 1.1105 0.0481 0.0773 -0.0001 2 GLU i O ? ? 1 +42644 N N . THR AB 3 0.2721 1.1185 1.1237 0.0420 0.0701 -0.0008 3 THR i N ? ? 1 +42645 C CA . THR AB 3 0.2667 1.1098 1.1161 0.0343 0.0753 0.0013 3 THR i CA ? ? 1 +42646 C CB . THR AB 3 0.2643 1.1142 1.1235 0.0284 0.0722 0.0012 3 THR i CB ? ? 1 +42647 O OG1 . THR AB 3 0.2791 1.1457 1.1556 0.0300 0.0724 -0.0025 3 THR i OG1 ? ? 1 +42648 C CG2 . THR AB 3 0.2609 1.1072 1.1181 0.0203 0.0773 0.0034 3 THR i CG2 ? ? 1 +42649 C C . THR AB 3 0.2529 1.0784 1.0838 0.0329 0.0752 0.0049 3 THR i C ? ? 1 +42650 O O . THR AB 3 0.2480 1.0681 1.0724 0.0305 0.0815 0.0063 3 THR i O ? ? 1 +42651 N N . LEU AB 4 0.2393 1.0562 1.0619 0.0344 0.0680 0.0062 4 LEU i N ? ? 1 +42652 C CA . LEU AB 4 0.2377 1.0385 1.0434 0.0333 0.0670 0.0093 4 LEU i CA ? ? 1 +42653 C CB . LEU AB 4 0.2333 1.0274 1.0333 0.0352 0.0586 0.0101 4 LEU i CB ? ? 1 +42654 C CG . LEU AB 4 0.2369 1.0153 1.0204 0.0346 0.0568 0.0128 4 LEU i CG ? ? 1 +42655 C CD1 . LEU AB 4 0.2356 1.0090 1.0149 0.0277 0.0591 0.0153 4 LEU i CD1 ? ? 1 +42656 C CD2 . LEU AB 4 0.2358 1.0091 1.0151 0.0367 0.0492 0.0132 4 LEU i CD2 ? ? 1 +42657 C C . LEU AB 4 0.2412 1.0351 1.0372 0.0375 0.0713 0.0094 4 LEU i C ? ? 1 +42658 O O . LEU AB 4 0.2459 1.0304 1.0314 0.0349 0.0751 0.0114 4 LEU i O ? ? 1 +42659 N N . LYS AB 5 0.2359 1.0342 1.0350 0.0443 0.0707 0.0070 5 LYS i N ? ? 1 +42660 C CA . LYS AB 5 0.2423 1.0344 1.0325 0.0490 0.0748 0.0066 5 LYS i CA ? ? 1 +42661 C CB . LYS AB 5 0.2455 1.0438 1.0411 0.0568 0.0728 0.0038 5 LYS i CB ? ? 1 +42662 C CG . LYS AB 5 0.2567 1.0486 1.0432 0.0622 0.0768 0.0031 5 LYS i CG ? ? 1 +42663 C CD . LYS AB 5 0.2632 1.0619 1.0559 0.0702 0.0750 0.0002 5 LYS i CD ? ? 1 +42664 C CE . LYS AB 5 0.2785 1.0695 1.0610 0.0757 0.0787 -0.0004 5 LYS i CE ? ? 1 +42665 N NZ . LYS AB 5 0.2855 1.0825 1.0734 0.0839 0.0767 -0.0033 5 LYS i NZ ? ? 1 +42666 C C . LYS AB 5 0.2462 1.0411 1.0379 0.0461 0.0837 0.0067 5 LYS i C ? ? 1 +42667 O O . LYS AB 5 0.2581 1.0419 1.0369 0.0454 0.0870 0.0085 5 LYS i O ? ? 1 +42668 N N . ILE AB 6 0.2386 1.0479 1.0456 0.0444 0.0877 0.0047 6 ILE i N ? ? 1 +42669 C CA . ILE AB 6 0.2396 1.0522 1.0489 0.0414 0.0967 0.0047 6 ILE i CA ? ? 1 +42670 C CB . ILE AB 6 0.2364 1.0672 1.0655 0.0393 0.1003 0.0020 6 ILE i CB ? ? 1 +42671 C CG1 . ILE AB 6 0.2379 1.0808 1.0785 0.0463 0.0983 -0.0017 6 ILE i CG1 ? ? 1 +42672 C CG2 . ILE AB 6 0.2409 1.0743 1.0718 0.0354 0.1102 0.0022 6 ILE i CG2 ? ? 1 +42673 C CD1 . ILE AB 6 0.2482 1.0874 1.0819 0.0535 0.1018 -0.0028 6 ILE i CD1 ? ? 1 +42674 C C . ILE AB 6 0.2344 1.0363 1.0333 0.0348 0.0988 0.0081 6 ILE i C ? ? 1 +42675 O O . ILE AB 6 0.2399 1.0345 1.0293 0.0342 0.1047 0.0092 6 ILE i O ? ? 1 +42676 N N . THR AB 7 0.2238 1.0247 1.0242 0.0299 0.0941 0.0096 7 THR i N ? ? 1 +42677 C CA . THR AB 7 0.2289 1.0196 1.0196 0.0239 0.0952 0.0128 7 THR i CA ? ? 1 +42678 C CB . THR AB 7 0.2230 1.0146 1.0177 0.0199 0.0888 0.0137 7 THR i CB ? ? 1 +42679 O OG1 . THR AB 7 0.2180 1.0245 1.0298 0.0178 0.0899 0.0115 7 THR i OG1 ? ? 1 +42680 C CG2 . THR AB 7 0.2252 1.0061 1.0100 0.0139 0.0891 0.0171 7 THR i CG2 ? ? 1 +42681 C C . THR AB 7 0.2371 1.0119 1.0093 0.0260 0.0948 0.0149 7 THR i C ? ? 1 +42682 O O . THR AB 7 0.2434 1.0111 1.0069 0.0236 0.1002 0.0165 7 THR i O ? ? 1 +42683 N N . VAL AB 8 0.2369 1.0057 1.0026 0.0304 0.0883 0.0148 8 VAL i N ? ? 1 +42684 C CA . VAL AB 8 0.2458 0.9997 0.9945 0.0323 0.0871 0.0165 8 VAL i CA ? ? 1 +42685 C CB . VAL AB 8 0.2453 0.9934 0.9888 0.0361 0.0790 0.0163 8 VAL i CB ? ? 1 +42686 C CG1 . VAL AB 8 0.2526 0.9856 0.9788 0.0379 0.0781 0.0177 8 VAL i CG1 ? ? 1 +42687 C CG2 . VAL AB 8 0.2362 0.9855 0.9838 0.0323 0.0727 0.0174 8 VAL i CG2 ? ? 1 +42688 C C . VAL AB 8 0.2567 1.0081 0.9997 0.0357 0.0939 0.0156 8 VAL i C ? ? 1 +42689 O O . VAL AB 8 0.2639 1.0046 0.9941 0.0343 0.0968 0.0174 8 VAL i O ? ? 1 +42690 N N . TYR AB 9 0.2583 1.0195 1.0105 0.0402 0.0966 0.0129 9 TYR i N ? ? 1 +42691 C CA . TYR AB 9 0.2690 1.0289 1.0169 0.0436 0.1036 0.0118 9 TYR i CA ? ? 1 +42692 C CB . TYR AB 9 0.2790 1.0521 1.0399 0.0489 0.1056 0.0084 9 TYR i CB ? ? 1 +42693 C CG . TYR AB 9 0.2941 1.0634 1.0505 0.0561 0.1006 0.0070 9 TYR i CG ? ? 1 +42694 C CD1 . TYR AB 9 0.3031 1.0673 1.0562 0.0567 0.0921 0.0078 9 TYR i CD1 ? ? 1 +42695 C CD2 . TYR AB 9 0.3121 1.0824 1.0672 0.0623 0.1045 0.0049 9 TYR i CD2 ? ? 1 +42696 C CE1 . TYR AB 9 0.3159 1.0755 1.0640 0.0632 0.0877 0.0066 9 TYR i CE1 ? ? 1 +42697 C CE2 . TYR AB 9 0.3241 1.0901 1.0745 0.0691 0.1000 0.0036 9 TYR i CE2 ? ? 1 +42698 C CZ . TYR AB 9 0.3306 1.0910 1.0773 0.0694 0.0915 0.0045 9 TYR i CZ ? ? 1 +42699 O OH . TYR AB 9 0.3534 1.1084 1.0947 0.0757 0.0869 0.0034 9 TYR i OH ? ? 1 +42700 C C . TYR AB 9 0.2653 1.0240 1.0109 0.0386 0.1114 0.0133 9 TYR i C ? ? 1 +42701 O O . TYR AB 9 0.2717 1.0211 1.0050 0.0396 0.1158 0.0141 9 TYR i O ? ? 1 +42702 N N . ILE AB 10 0.2535 1.0211 1.0104 0.0331 0.1132 0.0135 10 ILE i N ? ? 1 +42703 C CA . ILE AB 10 0.2540 1.0209 1.0097 0.0280 0.1209 0.0149 10 ILE i CA ? ? 1 +42704 C CB . ILE AB 10 0.2469 1.0276 1.0198 0.0230 0.1230 0.0140 10 ILE i CB ? ? 1 +42705 C CG1 . ILE AB 10 0.2481 1.0440 1.0360 0.0262 0.1275 0.0104 10 ILE i CG1 ? ? 1 +42706 C CG2 . ILE AB 10 0.2512 1.0277 1.0205 0.0161 0.1287 0.0163 10 ILE i CG2 ? ? 1 +42707 C CD1 . ILE AB 10 0.2398 1.0512 1.0467 0.0222 0.1277 0.0087 10 ILE i CD1 ? ? 1 +42708 C C . ILE AB 10 0.2530 1.0046 0.9926 0.0245 0.1194 0.0183 10 ILE i C ? ? 1 +42709 O O . ILE AB 10 0.2637 1.0070 0.9924 0.0238 0.1249 0.0196 10 ILE i O ? ? 1 +42710 N N . VAL AB 11 0.2407 0.9887 0.9788 0.0223 0.1119 0.0197 11 VAL i N ? ? 1 +42711 C CA . VAL AB 11 0.2418 0.9760 0.9655 0.0194 0.1096 0.0227 11 VAL i CA ? ? 1 +42712 C CB . VAL AB 11 0.2320 0.9654 0.9578 0.0173 0.1011 0.0236 11 VAL i CB ? ? 1 +42713 C CG1 . VAL AB 11 0.2343 0.9533 0.9445 0.0158 0.0975 0.0263 11 VAL i CG1 ? ? 1 +42714 C CG2 . VAL AB 11 0.2258 0.9689 0.9648 0.0119 0.1019 0.0237 11 VAL i CG2 ? ? 1 +42715 C C . VAL AB 11 0.2473 0.9688 0.9545 0.0235 0.1097 0.0232 11 VAL i C ? ? 1 +42716 O O . VAL AB 11 0.2554 0.9671 0.9507 0.0217 0.1130 0.0251 11 VAL i O ? ? 1 +42717 N N . VAL AB 12 0.2428 0.9642 0.9492 0.0292 0.1062 0.0214 12 VAL i N ? ? 1 +42718 C CA . VAL AB 12 0.2486 0.9578 0.9395 0.0330 0.1059 0.0216 12 VAL i CA ? ? 1 +42719 C CB . VAL AB 12 0.2468 0.9559 0.9379 0.0388 0.1004 0.0197 12 VAL i CB ? ? 1 +42720 C CG1 . VAL AB 12 0.2585 0.9560 0.9346 0.0432 0.1015 0.0193 12 VAL i CG1 ? ? 1 +42721 C CG2 . VAL AB 12 0.2367 0.9436 0.9284 0.0373 0.0916 0.0205 12 VAL i CG2 ? ? 1 +42722 C C . VAL AB 12 0.2566 0.9640 0.9425 0.0342 0.1147 0.0213 12 VAL i C ? ? 1 +42723 O O . VAL AB 12 0.2659 0.9618 0.9376 0.0332 0.1166 0.0229 12 VAL i O ? ? 1 +42724 N N . THR AB 13 0.2541 0.9732 0.9517 0.0361 0.1201 0.0191 13 THR i N ? ? 1 +42725 C CA . THR AB 13 0.2621 0.9809 0.9564 0.0370 0.1293 0.0186 13 THR i CA ? ? 1 +42726 C CB . THR AB 13 0.2570 0.9920 0.9686 0.0386 0.1342 0.0158 13 THR i CB ? ? 1 +42727 O OG1 . THR AB 13 0.2512 0.9905 0.9676 0.0446 0.1294 0.0135 13 THR i OG1 ? ? 1 +42728 C CG2 . THR AB 13 0.2671 1.0029 0.9766 0.0396 0.1443 0.0151 13 THR i CG2 ? ? 1 +42729 C C . THR AB 13 0.2676 0.9797 0.9542 0.0314 0.1340 0.0213 13 THR i C ? ? 1 +42730 O O . THR AB 13 0.2774 0.9795 0.9506 0.0324 0.1383 0.0222 13 THR i O ? ? 1 +42731 N N . PHE AB 14 0.2626 0.9796 0.9573 0.0257 0.1331 0.0226 14 PHE i N ? ? 1 +42732 C CA . PHE AB 14 0.2716 0.9820 0.9594 0.0203 0.1372 0.0253 14 PHE i CA ? ? 1 +42733 C CB . PHE AB 14 0.2613 0.9786 0.9603 0.0146 0.1345 0.0262 14 PHE i CB ? ? 1 +42734 C CG . PHE AB 14 0.2676 0.9784 0.9603 0.0087 0.1384 0.0291 14 PHE i CG ? ? 1 +42735 C CD1 . PHE AB 14 0.2766 0.9893 0.9704 0.0063 0.1480 0.0293 14 PHE i CD1 ? ? 1 +42736 C CD2 . PHE AB 14 0.2670 0.9694 0.9525 0.0058 0.1326 0.0315 14 PHE i CD2 ? ? 1 +42737 C CE1 . PHE AB 14 0.2828 0.9882 0.9698 0.0011 0.1517 0.0320 14 PHE i CE1 ? ? 1 +42738 C CE2 . PHE AB 14 0.2725 0.9681 0.9516 0.0008 0.1360 0.0342 14 PHE i CE2 ? ? 1 +42739 C CZ . PHE AB 14 0.2805 0.9774 0.9601 -0.0015 0.1455 0.0345 14 PHE i CZ ? ? 1 +42740 C C . PHE AB 14 0.2839 0.9775 0.9520 0.0206 0.1343 0.0276 14 PHE i C ? ? 1 +42741 O O . PHE AB 14 0.2965 0.9815 0.9527 0.0204 0.1399 0.0288 14 PHE i O ? ? 1 +42742 N N . PHE AB 15 0.2810 0.9698 0.9454 0.0213 0.1254 0.0282 15 PHE i N ? ? 1 +42743 C CA . PHE AB 15 0.2900 0.9639 0.9371 0.0213 0.1217 0.0301 15 PHE i CA ? ? 1 +42744 C CB . PHE AB 15 0.2789 0.9509 0.9264 0.0210 0.1118 0.0305 15 PHE i CB ? ? 1 +42745 C CG . PHE AB 15 0.2708 0.9455 0.9243 0.0156 0.1093 0.0323 15 PHE i CG ? ? 1 +42746 C CD1 . PHE AB 15 0.2758 0.9413 0.9191 0.0121 0.1098 0.0349 15 PHE i CD1 ? ? 1 +42747 C CD2 . PHE AB 15 0.2600 0.9463 0.9290 0.0141 0.1064 0.0314 15 PHE i CD2 ? ? 1 +42748 C CE1 . PHE AB 15 0.2699 0.9374 0.9184 0.0073 0.1076 0.0366 15 PHE i CE1 ? ? 1 +42749 C CE2 . PHE AB 15 0.2541 0.9423 0.9282 0.0091 0.1041 0.0329 15 PHE i CE2 ? ? 1 +42750 C CZ . PHE AB 15 0.2584 0.9372 0.9223 0.0057 0.1048 0.0356 15 PHE i CZ ? ? 1 +42751 C C . PHE AB 15 0.3068 0.9719 0.9406 0.0262 0.1239 0.0293 15 PHE i C ? ? 1 +42752 O O . PHE AB 15 0.3187 0.9717 0.9374 0.0257 0.1250 0.0309 15 PHE i O ? ? 1 +42753 N N . VAL AB 16 0.3095 0.9801 0.9485 0.0311 0.1244 0.0266 16 VAL i N ? ? 1 +42754 C CA . VAL AB 16 0.3219 0.9843 0.9487 0.0360 0.1266 0.0255 16 VAL i CA ? ? 1 +42755 C CB . VAL AB 16 0.3226 0.9907 0.9558 0.0417 0.1247 0.0226 16 VAL i CB ? ? 1 +42756 C CG1 . VAL AB 16 0.3386 0.9966 0.9577 0.0467 0.1266 0.0215 16 VAL i CG1 ? ? 1 +42757 C CG2 . VAL AB 16 0.3111 0.9807 0.9491 0.0420 0.1153 0.0223 16 VAL i CG2 ? ? 1 +42758 C C . VAL AB 16 0.3322 0.9925 0.9538 0.0356 0.1364 0.0259 16 VAL i C ? ? 1 +42759 O O . VAL AB 16 0.3436 0.9921 0.9494 0.0373 0.1382 0.0265 16 VAL i O ? ? 1 +42760 N N . LEU AB 17 0.3281 0.9999 0.9628 0.0332 0.1427 0.0256 17 LEU i N ? ? 1 +42761 C CA . LEU AB 17 0.3383 1.0089 0.9691 0.0322 0.1526 0.0260 17 LEU i CA ? ? 1 +42762 C CB . LEU AB 17 0.3325 1.0186 0.9817 0.0294 0.1588 0.0250 17 LEU i CB ? ? 1 +42763 C CG . LEU AB 17 0.3287 1.0282 0.9921 0.0339 0.1609 0.0215 17 LEU i CG ? ? 1 +42764 C CD1 . LEU AB 17 0.3271 1.0406 1.0067 0.0305 0.1682 0.0206 17 LEU i CD1 ? ? 1 +42765 C CD2 . LEU AB 17 0.3394 1.0336 0.9932 0.0399 0.1651 0.0199 17 LEU i CD2 ? ? 1 +42766 C C . LEU AB 17 0.3458 1.0038 0.9622 0.0282 0.1537 0.0292 17 LEU i C ? ? 1 +42767 O O . LEU AB 17 0.3609 1.0099 0.9643 0.0292 0.1593 0.0299 17 LEU i O ? ? 1 +42768 N N . LEU AB 18 0.3377 0.9948 0.9561 0.0239 0.1480 0.0311 18 LEU i N ? ? 1 +42769 C CA . LEU AB 18 0.3415 0.9864 0.9461 0.0205 0.1476 0.0342 18 LEU i CA ? ? 1 +42770 C CB . LEU AB 18 0.3303 0.9772 0.9409 0.0161 0.1410 0.0358 18 LEU i CB ? ? 1 +42771 C CG . LEU AB 18 0.3237 0.9817 0.9495 0.0113 0.1447 0.0361 18 LEU i CG ? ? 1 +42772 C CD1 . LEU AB 18 0.3135 0.9727 0.9444 0.0077 0.1371 0.0374 18 LEU i CD1 ? ? 1 +42773 C CD2 . LEU AB 18 0.3351 0.9886 0.9551 0.0079 0.1535 0.0380 18 LEU i CD2 ? ? 1 +42774 C C . LEU AB 18 0.3476 0.9779 0.9333 0.0240 0.1439 0.0346 18 LEU i C ? ? 1 +42775 O O . LEU AB 18 0.3597 0.9789 0.9309 0.0234 0.1472 0.0363 18 LEU i O ? ? 1 +42776 N N . PHE AB 19 0.3405 0.9704 0.9263 0.0276 0.1367 0.0329 19 PHE i N ? ? 1 +42777 C CA . PHE AB 19 0.3463 0.9632 0.9154 0.0308 0.1325 0.0328 19 PHE i CA ? ? 1 +42778 C CB . PHE AB 19 0.3364 0.9556 0.9098 0.0339 0.1246 0.0308 19 PHE i CB ? ? 1 +42779 C CG . PHE AB 19 0.3426 0.9490 0.9003 0.0369 0.1195 0.0304 19 PHE i CG ? ? 1 +42780 C CD1 . PHE AB 19 0.3406 0.9391 0.8904 0.0346 0.1125 0.0319 19 PHE i CD1 ? ? 1 +42781 C CD2 . PHE AB 19 0.3499 0.9522 0.9006 0.0419 0.1217 0.0282 19 PHE i CD2 ? ? 1 +42782 C CE1 . PHE AB 19 0.3467 0.9338 0.8825 0.0371 0.1076 0.0311 19 PHE i CE1 ? ? 1 +42783 C CE2 . PHE AB 19 0.3586 0.9487 0.8946 0.0444 0.1170 0.0276 19 PHE i CE2 ? ? 1 +42784 C CZ . PHE AB 19 0.3567 0.9395 0.8855 0.0418 0.1098 0.0290 19 PHE i CZ ? ? 1 +42785 C C . PHE AB 19 0.3603 0.9713 0.9188 0.0344 0.1398 0.0319 19 PHE i C ? ? 1 +42786 O O . PHE AB 19 0.3715 0.9701 0.9136 0.0345 0.1412 0.0332 19 PHE i O ? ? 1 +42787 N N . VAL AB 20 0.3585 0.9786 0.9266 0.0374 0.1444 0.0295 20 VAL i N ? ? 1 +42788 C CA . VAL AB 20 0.3712 0.9866 0.9303 0.0416 0.1511 0.0282 20 VAL i CA ? ? 1 +42789 C CB . VAL AB 20 0.3680 0.9955 0.9406 0.0455 0.1540 0.0252 20 VAL i CB ? ? 1 +42790 C CG1 . VAL AB 20 0.3816 1.0057 0.9465 0.0496 0.1623 0.0237 20 VAL i CG1 ? ? 1 +42791 C CG2 . VAL AB 20 0.3605 0.9889 0.9362 0.0488 0.1452 0.0234 20 VAL i CG2 ? ? 1 +42792 C C . VAL AB 20 0.3810 0.9919 0.9327 0.0390 0.1600 0.0301 20 VAL i C ? ? 1 +42793 O O . VAL AB 20 0.3930 0.9921 0.9282 0.0411 0.1628 0.0304 20 VAL i O ? ? 1 +42794 N N . PHE AB 21 0.3770 0.9968 0.9405 0.0344 0.1643 0.0312 21 PHE i N ? ? 1 +42795 C CA . PHE AB 21 0.3900 1.0061 0.9475 0.0316 0.1735 0.0330 21 PHE i CA ? ? 1 +42796 C CB . PHE AB 21 0.3852 1.0153 0.9608 0.0273 0.1794 0.0330 21 PHE i CB ? ? 1 +42797 C CG . PHE AB 21 0.3884 1.0309 0.9766 0.0302 0.1860 0.0300 21 PHE i CG ? ? 1 +42798 C CD1 . PHE AB 21 0.4043 1.0440 0.9860 0.0319 0.1959 0.0296 21 PHE i CD1 ? ? 1 +42799 C CD2 . PHE AB 21 0.3758 1.0326 0.9822 0.0315 0.1822 0.0276 21 PHE i CD2 ? ? 1 +42800 C CE1 . PHE AB 21 0.4041 1.0557 0.9979 0.0348 0.2020 0.0266 21 PHE i CE1 ? ? 1 +42801 C CE2 . PHE AB 21 0.3760 1.0444 0.9941 0.0346 0.1880 0.0247 21 PHE i CE2 ? ? 1 +42802 C CZ . PHE AB 21 0.3897 1.0559 1.0019 0.0363 0.1979 0.0242 21 PHE i CZ ? ? 1 +42803 C C . PHE AB 21 0.3955 0.9972 0.9365 0.0290 0.1705 0.0361 21 PHE i C ? ? 1 +42804 O O . PHE AB 21 0.4080 1.0000 0.9354 0.0288 0.1766 0.0375 21 PHE i O ? ? 1 +42805 N N . GLY AB 22 0.3862 0.9864 0.9283 0.0274 0.1610 0.0370 22 GLY i N ? ? 1 +42806 C CA . GLY AB 22 0.3907 0.9781 0.9182 0.0254 0.1566 0.0396 22 GLY i CA ? ? 1 +42807 C C . GLY AB 22 0.4059 0.9789 0.9132 0.0295 0.1557 0.0394 22 GLY i C ? ? 1 +42808 O O . GLY AB 22 0.4182 0.9800 0.9106 0.0287 0.1589 0.0414 22 GLY i O ? ? 1 +42809 N N . PHE AB 23 0.4069 0.9798 0.9133 0.0339 0.1513 0.0369 23 PHE i N ? ? 1 +42810 C CA . PHE AB 23 0.4230 0.9827 0.9110 0.0380 0.1501 0.0361 23 PHE i CA ? ? 1 +42811 C CB . PHE AB 23 0.4160 0.9763 0.9054 0.0417 0.1425 0.0335 23 PHE i CB ? ? 1 +42812 C CG . PHE AB 23 0.4083 0.9633 0.8937 0.0402 0.1320 0.0342 23 PHE i CG ? ? 1 +42813 C CD1 . PHE AB 23 0.4178 0.9595 0.8861 0.0399 0.1290 0.0356 23 PHE i CD1 ? ? 1 +42814 C CD2 . PHE AB 23 0.3929 0.9563 0.8915 0.0393 0.1252 0.0334 23 PHE i CD2 ? ? 1 +42815 C CE1 . PHE AB 23 0.4118 0.9496 0.8773 0.0385 0.1195 0.0361 23 PHE i CE1 ? ? 1 +42816 C CE2 . PHE AB 23 0.3876 0.9464 0.8828 0.0378 0.1160 0.0340 23 PHE i CE2 ? ? 1 +42817 C CZ . PHE AB 23 0.3961 0.9425 0.8752 0.0374 0.1133 0.0353 23 PHE i CZ ? ? 1 +42818 C C . PHE AB 23 0.4450 1.0007 0.9245 0.0405 0.1601 0.0355 23 PHE i C ? ? 1 +42819 O O . PHE AB 23 0.4621 1.0047 0.9234 0.0429 0.1604 0.0357 23 PHE i O ? ? 1 +42820 N N . LEU AB 24 0.4484 1.0155 0.9411 0.0401 0.1681 0.0347 24 LEU i N ? ? 1 +42821 C CA . LEU AB 24 0.4684 1.0331 0.9548 0.0420 0.1786 0.0342 24 LEU i CA ? ? 1 +42822 C CB . LEU AB 24 0.4640 1.0445 0.9692 0.0427 0.1851 0.0321 24 LEU i CB ? ? 1 +42823 C CG . LEU AB 24 0.4600 1.0467 0.9722 0.0479 0.1818 0.0287 24 LEU i CG ? ? 1 +42824 C CD1 . LEU AB 24 0.4545 1.0579 0.9866 0.0482 0.1880 0.0268 24 LEU i CD1 ? ? 1 +42825 C CD2 . LEU AB 24 0.4755 1.0505 0.9707 0.0533 0.1836 0.0273 24 LEU i CD2 ? ? 1 +42826 C C . LEU AB 24 0.4829 1.0405 0.9600 0.0383 0.1854 0.0373 24 LEU i C ? ? 1 +42827 O O . LEU AB 24 0.5023 1.0547 0.9702 0.0398 0.1941 0.0373 24 LEU i O ? ? 1 +42828 N N . SER AB 25 0.4774 1.0346 0.9569 0.0336 0.1815 0.0398 25 SER i N ? ? 1 +42829 C CA . SER AB 25 0.4871 1.0382 0.9595 0.0295 0.1875 0.0429 25 SER i CA ? ? 1 +42830 C CB . SER AB 25 0.4751 1.0355 0.9627 0.0240 0.1855 0.0444 25 SER i CB ? ? 1 +42831 O OG . SER AB 25 0.4643 1.0415 0.9731 0.0231 0.1885 0.0424 25 SER i OG ? ? 1 +42832 C C . SER AB 25 0.5014 1.0345 0.9508 0.0305 0.1841 0.0449 25 SER i C ? ? 1 +42833 O O . SER AB 25 0.5015 1.0296 0.9469 0.0273 0.1803 0.0475 25 SER i O ? ? 1 +42834 N N . GLY AB 26 0.5126 1.0362 0.9470 0.0352 0.1856 0.0436 26 GLY i N ? ? 1 +42835 C CA . GLY AB 26 0.5284 1.0345 0.9397 0.0367 0.1836 0.0452 26 GLY i CA ? ? 1 +42836 C C . GLY AB 26 0.5225 1.0228 0.9283 0.0367 0.1714 0.0457 26 GLY i C ? ? 1 +42837 O O . GLY AB 26 0.5292 1.0185 0.9215 0.0355 0.1691 0.0481 26 GLY i O ? ? 1 +42838 N N . ASP AB 27 0.5090 1.0167 0.9251 0.0381 0.1638 0.0434 27 ASP i N ? ? 1 +42839 C CA . ASP AB 27 0.5014 1.0059 0.9155 0.0376 0.1524 0.0436 27 ASP i CA ? ? 1 +42840 C CB . ASP AB 27 0.4841 0.9988 0.9127 0.0388 0.1459 0.0410 27 ASP i CB ? ? 1 +42841 C CG . ASP AB 27 0.4723 0.9860 0.9022 0.0371 0.1350 0.0415 27 ASP i CG ? ? 1 +42842 O OD1 . ASP AB 27 0.4632 0.9813 0.9009 0.0331 0.1337 0.0436 27 ASP i OD1 ? ? 1 +42843 O OD2 . ASP AB 27 0.4717 0.9797 0.8942 0.0396 0.1280 0.0398 27 ASP i OD2 ? ? 1 +42844 C C . ASP AB 27 0.5171 1.0056 0.9093 0.0405 0.1479 0.0436 27 ASP i C ? ? 1 +42845 O O . ASP AB 27 0.5179 1.0003 0.9036 0.0390 0.1413 0.0452 27 ASP i O ? ? 1 +42846 N N . PRO AB 28 0.5301 1.0112 0.9101 0.0449 0.1507 0.0417 28 PRO i N ? ? 1 +42847 C CA . PRO AB 28 0.5457 1.0113 0.9043 0.0476 0.1462 0.0415 28 PRO i CA ? ? 1 +42848 C CB . PRO AB 28 0.5587 1.0196 0.9083 0.0520 0.1524 0.0393 28 PRO i CB ? ? 1 +42849 C CG . PRO AB 28 0.5459 1.0214 0.9148 0.0524 0.1556 0.0373 28 PRO i CG ? ? 1 +42850 C CD . PRO AB 28 0.5328 1.0201 0.9189 0.0476 0.1578 0.0394 28 PRO i CD ? ? 1 +42851 C C . PRO AB 28 0.5587 1.0138 0.9035 0.0458 0.1476 0.0448 28 PRO i C ? ? 1 +42852 O O . PRO AB 28 0.5639 1.0089 0.8956 0.0467 0.1403 0.0452 28 PRO i O ? ? 1 +42853 N N . ALA AB 29 0.5635 1.0211 0.9116 0.0432 0.1568 0.0472 29 ALA i N ? ? 1 +42854 C CA . ALA AB 29 0.5739 1.0212 0.9089 0.0413 0.1594 0.0505 29 ALA i CA ? ? 1 +42855 C CB . ALA AB 29 0.5790 1.0284 0.9163 0.0394 0.1723 0.0522 29 ALA i CB ? ? 1 +42856 C C . ALA AB 29 0.5614 1.0107 0.9023 0.0377 0.1522 0.0527 29 ALA i C ? ? 1 +42857 O O . ALA AB 29 0.5678 1.0065 0.8953 0.0371 0.1514 0.0552 29 ALA i O ? ? 1 +42858 N N . ARG AB 30 0.5441 1.0067 0.9045 0.0356 0.1474 0.0517 30 ARG i N ? ? 1 +42859 C CA . ARG AB 30 0.5376 1.0035 0.9054 0.0321 0.1408 0.0535 30 ARG i CA ? ? 1 +42860 C CB . ARG AB 30 0.5170 0.9997 0.9088 0.0291 0.1405 0.0527 30 ARG i CB ? ? 1 +42861 C CG . ARG AB 30 0.5161 1.0067 0.9183 0.0265 0.1514 0.0535 30 ARG i CG ? ? 1 +42862 C CD . ARG AB 30 0.4976 1.0047 0.9231 0.0239 0.1498 0.0524 30 ARG i CD ? ? 1 +42863 N NE . ARG AB 30 0.4969 1.0134 0.9342 0.0220 0.1598 0.0522 30 ARG i NE ? ? 1 +42864 C CZ . ARG AB 30 0.5031 1.0194 0.9416 0.0183 0.1670 0.0545 30 ARG i CZ ? ? 1 +42865 N NH1 . ARG AB 30 0.5036 1.0143 0.9377 0.0152 0.1642 0.0573 30 ARG i NH1 ? ? 1 +42866 N NH2 . ARG AB 30 0.5102 1.0324 0.9549 0.0174 0.1772 0.0540 30 ARG i NH2 ? ? 1 +42867 C C . ARG AB 30 0.5387 0.9981 0.8981 0.0340 0.1293 0.0526 30 ARG i C ? ? 1 +42868 O O . ARG AB 30 0.5217 0.9890 0.8927 0.0335 0.1218 0.0510 30 ARG i O ? ? 1 +42869 N N . ASN AB 31 0.5622 1.0071 0.9011 0.0362 0.1280 0.0536 31 ASN i N ? ? 1 +42870 C CA . ASN AB 31 0.5716 1.0093 0.9007 0.0382 0.1174 0.0527 31 ASN i CA ? ? 1 +42871 C CB . ASN AB 31 0.5767 1.0104 0.8980 0.0423 0.1146 0.0493 31 ASN i CB ? ? 1 +42872 C CG . ASN AB 31 0.5998 1.0207 0.9013 0.0456 0.1205 0.0493 31 ASN i CG ? ? 1 +42873 O OD1 . ASN AB 31 0.6129 1.0354 0.9152 0.0466 0.1292 0.0487 31 ASN i OD1 ? ? 1 +42874 N ND2 . ASN AB 31 0.6131 1.0210 0.8963 0.0475 0.1160 0.0500 31 ASN i ND2 ? ? 1 +42875 C C . ASN AB 31 0.5947 1.0191 0.9060 0.0385 0.1173 0.0556 31 ASN i C ? ? 1 +42876 O O . ASN AB 31 0.6028 1.0219 0.9070 0.0379 0.1262 0.0579 31 ASN i O ? ? 1 +42877 N N . PRO AB 32 0.6069 1.0257 0.9111 0.0393 0.1076 0.0557 32 PRO i N ? ? 1 +42878 C CA . PRO AB 32 0.6334 1.0402 0.9219 0.0397 0.1067 0.0586 32 PRO i CA ? ? 1 +42879 C CB . PRO AB 32 0.6179 1.0272 0.9110 0.0392 0.0952 0.0582 32 PRO i CB ? ? 1 +42880 C CG . PRO AB 32 0.6047 1.0209 0.9059 0.0403 0.0892 0.0543 32 PRO i CG ? ? 1 +42881 C CD . PRO AB 32 0.5946 1.0187 0.9061 0.0398 0.0970 0.0531 32 PRO i CD ? ? 1 +42882 C C . PRO AB 32 0.6796 1.0703 0.9437 0.0438 0.1083 0.0587 32 PRO i C ? ? 1 +42883 O O . PRO AB 32 0.6882 1.0682 0.9384 0.0443 0.1088 0.0613 32 PRO i O ? ? 1 +42884 N N . LYS AB 33 0.7199 1.1085 0.9785 0.0468 0.1088 0.0557 33 LYS i N ? ? 1 +42885 C CA . LYS AB 33 0.7756 1.1490 1.0110 0.0508 0.1104 0.0553 33 LYS i CA ? ? 1 +42886 C CB . LYS AB 33 0.7814 1.1522 1.0112 0.0540 0.1013 0.0515 33 LYS i CB ? ? 1 +42887 C CG . LYS AB 33 0.7814 1.1523 1.0120 0.0538 0.0890 0.0509 33 LYS i CG ? ? 1 +42888 C CD . LYS AB 33 0.8078 1.1663 1.0211 0.0553 0.0861 0.0533 33 LYS i CD ? ? 1 +42889 C CE . LYS AB 33 0.8071 1.1676 1.0233 0.0552 0.0736 0.0522 33 LYS i CE ? ? 1 +42890 N NZ . LYS AB 33 0.8183 1.1679 1.0195 0.0568 0.0701 0.0547 33 LYS i NZ ? ? 1 +42891 C C . LYS AB 33 0.8266 1.1974 1.0572 0.0516 0.1228 0.0558 33 LYS i C ? ? 1 +42892 O O . LYS AB 33 0.8529 1.2218 1.0821 0.0496 0.1310 0.0588 33 LYS i O ? ? 1 +42893 N N . ARG AB 34 0.8763 1.2467 1.1041 0.0544 0.1244 0.0527 34 ARG i N ? ? 1 +42894 C CA . ARG AB 34 0.9375 1.3053 1.1601 0.0556 0.1360 0.0527 34 ARG i CA ? ? 1 +42895 C CB . ARG AB 34 0.9655 1.3280 1.1783 0.0600 0.1345 0.0490 34 ARG i CB ? ? 1 +42896 C CG . ARG AB 34 1.0094 1.3555 1.1982 0.0636 0.1283 0.0485 34 ARG i CG ? ? 1 +42897 C CD . ARG AB 34 1.0594 1.3974 1.2344 0.0680 0.1299 0.0454 34 ARG i CD ? ? 1 +42898 N NE . ARG AB 34 1.1137 1.4541 1.2910 0.0685 0.1423 0.0454 34 ARG i NE ? ? 1 +42899 C CZ . ARG AB 34 1.1687 1.4988 1.3304 0.0701 0.1517 0.0471 34 ARG i CZ ? ? 1 +42900 N NH1 . ARG AB 34 1.1976 1.5134 1.3394 0.0712 0.1507 0.0494 34 ARG i NH1 ? ? 1 +42901 N NH2 . ARG AB 34 1.1695 1.5037 1.3358 0.0705 0.1626 0.0466 34 ARG i NH2 ? ? 1 +42902 C C . ARG AB 34 0.9606 1.3435 1.2050 0.0522 0.1437 0.0531 34 ARG i C ? ? 1 +42903 O O . ARG AB 34 0.9458 1.3408 1.2070 0.0516 0.1404 0.0507 34 ARG i O ? ? 1 +42904 N N . LYS AB 35 1.0143 1.3963 1.2581 0.0501 0.1540 0.0559 35 LYS i N ? ? 1 +42905 C CA . LYS AB 35 1.0361 1.4323 1.3005 0.0464 0.1615 0.0565 35 LYS i CA ? ? 1 +42906 C CB . LYS AB 35 1.0256 1.4228 1.2945 0.0418 0.1638 0.0603 35 LYS i CB ? ? 1 +42907 C CG . LYS AB 35 1.0202 1.4161 1.2895 0.0409 0.1526 0.0612 35 LYS i CG ? ? 1 +42908 C CD . LYS AB 35 1.0320 1.4271 1.3037 0.0369 0.1549 0.0650 35 LYS i CD ? ? 1 +42909 C CE . LYS AB 35 1.0444 1.4344 1.3108 0.0371 0.1438 0.0661 35 LYS i CE ? ? 1 +42910 N NZ . LYS AB 35 1.0700 1.4435 1.3121 0.0415 0.1397 0.0662 35 LYS i NZ ? ? 1 +42911 C C . LYS AB 35 1.0720 1.4686 1.3347 0.0475 0.1738 0.0558 35 LYS i C ? ? 1 +42912 O O . LYS AB 35 1.0835 1.4822 1.3498 0.0446 0.1834 0.0581 35 LYS i O ? ? 1 +42913 N N . ASP AB 36 1.1064 1.5012 1.3640 0.0516 0.1735 0.0527 36 ASP i N ? ? 1 +42914 C CA . ASP AB 36 1.1699 1.5668 1.4280 0.0532 0.1844 0.0514 36 ASP i CA ? ? 1 +42915 C CB . ASP AB 36 1.2266 1.6090 1.4638 0.0543 0.1937 0.0536 36 ASP i CB ? ? 1 +42916 C CG . ASP AB 36 1.2640 1.6285 1.4766 0.0569 0.1875 0.0548 36 ASP i CG ? ? 1 +42917 O OD1 . ASP AB 36 1.2745 1.6349 1.4806 0.0601 0.1782 0.0523 36 ASP i OD1 ? ? 1 +42918 O OD2 . ASP AB 36 1.2813 1.6358 1.4813 0.0557 0.1920 0.0581 36 ASP i OD2 ? ? 1 +42919 C C . ASP AB 36 1.1793 1.5770 1.4364 0.0576 0.1806 0.0474 36 ASP i C ? ? 1 +42920 O O . ASP AB 36 1.2256 1.6102 1.4632 0.0616 0.1793 0.0462 36 ASP i O ? ? 1 +42921 N N . LEU AB 37 1.1174 1.5301 1.3953 0.0570 0.1786 0.0451 37 LEU i N ? ? 1 +42922 C CA . LEU AB 37 1.0766 1.4910 1.3557 0.0608 0.1742 0.0413 37 LEU i CA ? ? 1 +42923 C CB . LEU AB 37 1.0371 1.4570 1.3260 0.0598 0.1616 0.0401 37 LEU i CB ? ? 1 +42924 C CG . LEU AB 37 1.0111 1.4193 1.2851 0.0602 0.1514 0.0407 37 LEU i CG ? ? 1 +42925 C CD1 . LEU AB 37 1.0178 1.4110 1.2694 0.0648 0.1504 0.0388 37 LEU i CD1 ? ? 1 +42926 C CD2 . LEU AB 37 1.0202 1.4241 1.2894 0.0571 0.1522 0.0444 37 LEU i CD2 ? ? 1 +42927 C C . LEU AB 37 1.0458 1.4719 1.3393 0.0619 0.1824 0.0393 37 LEU i C ? ? 1 +42928 O O . LEU AB 37 0.9898 1.4290 1.3020 0.0613 0.1791 0.0376 37 LEU i O ? ? 1 +42929 N N . GLU AB 38 1.0465 1.4672 1.3302 0.0639 0.1930 0.0394 38 GLU i N ? ? 1 +42930 C CA . GLU AB 38 1.0407 1.4705 1.3347 0.0658 0.2018 0.0372 38 GLU i CA ? ? 1 +42931 C CB . GLU AB 38 1.0619 1.5029 1.3708 0.0616 0.2115 0.0393 38 GLU i CB ? ? 1 +42932 C CG . GLU AB 38 1.0940 1.5256 1.3888 0.0609 0.2227 0.0416 38 GLU i CG ? ? 1 +42933 C CD . GLU AB 38 1.0965 1.5398 1.4071 0.0564 0.2326 0.0433 38 GLU i CD ? ? 1 +42934 O OE1 . GLU AB 38 1.0909 1.5387 1.4102 0.0516 0.2299 0.0457 38 GLU i OE1 ? ? 1 +42935 O OE2 . GLU AB 38 1.0796 1.5278 1.3942 0.0577 0.2431 0.0420 38 GLU i OE2 ? ? 1 +42936 C C . GLU AB 38 1.0312 1.4484 1.3052 0.0707 0.2078 0.0358 38 GLU i C ? ? 1 +42937 O O . GLU AB 38 1.0347 1.4363 1.2875 0.0725 0.2043 0.0364 38 GLU i O ? ? 1 +42938 O OXT . GLU AB 38 1.0061 1.4285 1.2850 0.0730 0.2161 0.0340 38 GLU i OXT ? ? 1 +42939 N N . MET AC 1 1.5229 1.7296 1.6213 -0.0458 -0.2431 -0.2010 1 MET j N ? ? 1 +42940 C CA . MET AC 1 1.5362 1.7533 1.6344 -0.0401 -0.2490 -0.1991 1 MET j CA ? ? 1 +42941 C CB . MET AC 1 1.5839 1.7862 1.6555 -0.0313 -0.2505 -0.1994 1 MET j CB ? ? 1 +42942 C CG . MET AC 1 1.6189 1.8291 1.6868 -0.0237 -0.2544 -0.1957 1 MET j CG ? ? 1 +42943 S SD . MET AC 1 1.6690 1.8984 1.7533 -0.0277 -0.2686 -0.2009 1 MET j SD ? ? 1 +42944 C CE . MET AC 1 1.6186 1.8616 1.7099 -0.0204 -0.2657 -0.1920 1 MET j CE ? ? 1 +42945 C C . MET AC 1 1.5005 1.7309 1.6129 -0.0372 -0.2419 -0.1903 1 MET j C ? ? 1 +42946 O O . MET AC 1 1.4746 1.7005 1.5867 -0.0352 -0.2312 -0.1845 1 MET j O ? ? 1 +42947 N N . SER AC 2 1.4668 1.7133 1.5911 -0.0366 -0.2483 -0.1897 2 SER j N ? ? 1 +42948 C CA . SER AC 2 1.4080 1.6689 1.5476 -0.0346 -0.2433 -0.1822 2 SER j CA ? ? 1 +42949 C CB . SER AC 2 1.3807 1.6601 1.5378 -0.0379 -0.2527 -0.1849 2 SER j CB ? ? 1 +42950 O OG . SER AC 2 1.3644 1.6482 1.5340 -0.0475 -0.2578 -0.1918 2 SER j OG ? ? 1 +42951 C C . SER AC 2 1.3946 1.6516 1.5213 -0.0246 -0.2380 -0.1751 2 SER j C ? ? 1 +42952 O O . SER AC 2 1.3611 1.6305 1.4989 -0.0221 -0.2359 -0.1696 2 SER j O ? ? 1 +42953 N N . GLU AC 3 1.4119 1.6516 1.5153 -0.0190 -0.2356 -0.1754 3 GLU j N ? ? 1 +42954 C CA . GLU AC 3 1.3815 1.6156 1.4693 -0.0094 -0.2320 -0.1700 3 GLU j CA ? ? 1 +42955 C CB . GLU AC 3 1.4161 1.6310 1.4771 -0.0047 -0.2337 -0.1737 3 GLU j CB ? ? 1 +42956 C CG . GLU AC 3 1.4259 1.6343 1.4689 0.0051 -0.2311 -0.1689 3 GLU j CG ? ? 1 +42957 C CD . GLU AC 3 1.4544 1.6637 1.4873 0.0089 -0.2421 -0.1721 3 GLU j CD ? ? 1 +42958 O OE1 . GLU AC 3 1.4632 1.6735 1.4970 0.0045 -0.2525 -0.1797 3 GLU j OE1 ? ? 1 +42959 O OE2 . GLU AC 3 1.4703 1.6793 1.4945 0.0162 -0.2403 -0.1671 3 GLU j OE2 ? ? 1 +42960 C C . GLU AC 3 1.3249 1.5593 1.4169 -0.0066 -0.2191 -0.1618 3 GLU j C ? ? 1 +42961 O O . GLU AC 3 1.3136 1.5391 1.4031 -0.0082 -0.2117 -0.1612 3 GLU j O ? ? 1 +42962 N N . GLY AC 4 1.2836 1.5279 1.3813 -0.0021 -0.2168 -0.1555 4 GLY j N ? ? 1 +42963 C CA . GLY AC 4 1.2507 1.4970 1.3537 0.0007 -0.2052 -0.1475 4 GLY j CA ? ? 1 +42964 C C . GLY AC 4 1.2426 1.4738 1.3239 0.0084 -0.1980 -0.1443 4 GLY j C ? ? 1 +42965 O O . GLY AC 4 1.2645 1.4893 1.3292 0.0141 -0.2017 -0.1448 4 GLY j O ? ? 1 +42966 N N . GLY AC 5 1.2133 1.4384 1.2945 0.0086 -0.1876 -0.1411 5 GLY j N ? ? 1 +42967 C CA . GLY AC 5 1.2057 1.4181 1.2690 0.0158 -0.1793 -0.1373 5 GLY j CA ? ? 1 +42968 C C . GLY AC 5 1.2115 1.4069 1.2599 0.0158 -0.1761 -0.1411 5 GLY j C ? ? 1 +42969 O O . GLY AC 5 1.2247 1.4100 1.2600 0.0214 -0.1680 -0.1380 5 GLY j O ? ? 1 +42970 N N . ARG AC 6 1.1994 1.3917 1.2499 0.0094 -0.1824 -0.1480 6 ARG j N ? ? 1 +42971 C CA . ARG AC 6 1.1937 1.3690 1.2290 0.0092 -0.1808 -0.1524 6 ARG j CA ? ? 1 +42972 C CB . ARG AC 6 1.2046 1.3791 1.2447 0.0012 -0.1896 -0.1604 6 ARG j CB ? ? 1 +42973 C CG . ARG AC 6 1.2245 1.4042 1.2631 -0.0001 -0.2022 -0.1654 6 ARG j CG ? ? 1 +42974 C CD . ARG AC 6 1.2590 1.4264 1.2731 0.0070 -0.2058 -0.1673 6 ARG j CD ? ? 1 +42975 N NE . ARG AC 6 1.2986 1.4481 1.2947 0.0068 -0.2065 -0.1729 6 ARG j NE ? ? 1 +42976 C CZ . ARG AC 6 1.3242 1.4698 1.3193 0.0008 -0.2149 -0.1809 6 ARG j CZ ? ? 1 +42977 N NH1 . ARG AC 6 1.3108 1.4696 1.3217 -0.0054 -0.2240 -0.1846 6 ARG j NH1 ? ? 1 +42978 N NH2 . ARG AC 6 1.3519 1.4799 1.3297 0.0012 -0.2143 -0.1854 6 ARG j NH2 ? ? 1 +42979 C C . ARG AC 6 1.1569 1.3267 1.1937 0.0103 -0.1690 -0.1484 6 ARG j C ? ? 1 +42980 O O . ARG AC 6 1.1765 1.3319 1.1957 0.0152 -0.1637 -0.1483 6 ARG j O ? ? 1 +42981 N N . ILE AC 7 1.1040 1.2853 1.1615 0.0060 -0.1648 -0.1450 7 ILE j N ? ? 1 +42982 C CA . ILE AC 7 1.0813 1.2588 1.1415 0.0073 -0.1539 -0.1409 7 ILE j CA ? ? 1 +42983 C CB . ILE AC 7 1.0700 1.2520 1.1472 -0.0007 -0.1532 -0.1423 7 ILE j CB ? ? 1 +42984 C CG1 . ILE AC 7 1.0889 1.2618 1.1606 -0.0066 -0.1606 -0.1506 7 ILE j CG1 ? ? 1 +42985 C CG2 . ILE AC 7 1.0653 1.2426 1.1442 0.0014 -0.1421 -0.1381 7 ILE j CG2 ? ? 1 +42986 C CD1 . ILE AC 7 1.0933 1.2770 1.1753 -0.0127 -0.1719 -0.1552 7 ILE j CD1 ? ? 1 +42987 C C . ILE AC 7 1.0449 1.2314 1.1109 0.0126 -0.1464 -0.1328 7 ILE j C ? ? 1 +42988 O O . ILE AC 7 1.0212 1.2230 1.1042 0.0104 -0.1478 -0.1297 7 ILE j O ? ? 1 +42989 N N . PRO AC 8 1.0289 1.2063 1.0815 0.0197 -0.1381 -0.1293 8 PRO j N ? ? 1 +42990 C CA . PRO AC 8 1.0078 1.1931 1.0647 0.0249 -0.1310 -0.1219 8 PRO j CA ? ? 1 +42991 C CB . PRO AC 8 1.0212 1.1928 1.0610 0.0316 -0.1222 -0.1203 8 PRO j CB ? ? 1 +42992 C CG . PRO AC 8 1.0468 1.2024 1.0687 0.0313 -0.1270 -0.1272 8 PRO j CG ? ? 1 +42993 C CD . PRO AC 8 1.0442 1.2033 1.0772 0.0229 -0.1348 -0.1324 8 PRO j CD ? ? 1 +42994 C C . PRO AC 8 0.9781 1.1774 1.0577 0.0213 -0.1265 -0.1174 8 PRO j C ? ? 1 +42995 O O . PRO AC 8 0.9824 1.1798 1.0691 0.0176 -0.1237 -0.1185 8 PRO j O ? ? 1 +42996 N N . LEU AC 9 0.9539 1.1664 1.0441 0.0226 -0.1259 -0.1124 9 LEU j N ? ? 1 +42997 C CA . LEU AC 9 0.9226 1.1494 1.0346 0.0191 -0.1227 -0.1083 9 LEU j CA ? ? 1 +42998 C CB . LEU AC 9 0.9096 1.1494 1.0296 0.0212 -0.1236 -0.1035 9 LEU j CB ? ? 1 +42999 C CG . LEU AC 9 0.8884 1.1455 1.0319 0.0160 -0.1256 -0.1013 9 LEU j CG ? ? 1 +43000 C CD1 . LEU AC 9 0.8841 1.1435 1.0400 0.0084 -0.1282 -0.1050 9 LEU j CD1 ? ? 1 +43001 C CD2 . LEU AC 9 0.8876 1.1535 1.0341 0.0156 -0.1338 -0.1018 9 LEU j CD2 ? ? 1 +43002 C C . LEU AC 9 0.9077 1.1322 1.0231 0.0212 -0.1120 -0.1043 9 LEU j C ? ? 1 +43003 O O . LEU AC 9 0.8907 1.1224 1.0219 0.0171 -0.1097 -0.1029 9 LEU j O ? ? 1 +43004 N N . TRP AC 10 0.9130 1.1278 1.0134 0.0279 -0.1054 -0.1024 10 TRP j N ? ? 1 +43005 C CA . TRP AC 10 0.9032 1.1161 1.0063 0.0306 -0.0952 -0.0987 10 TRP j CA ? ? 1 +43006 C CB . TRP AC 10 0.9124 1.1174 0.9997 0.0386 -0.0882 -0.0960 10 TRP j CB ? ? 1 +43007 C CG . TRP AC 10 0.9322 1.1198 0.9977 0.0417 -0.0888 -0.1006 10 TRP j CG ? ? 1 +43008 C CD1 . TRP AC 10 0.9468 1.1267 0.9962 0.0434 -0.0948 -0.1040 10 TRP j CD1 ? ? 1 +43009 N NE1 . TRP AC 10 0.9687 1.1323 0.9999 0.0463 -0.0931 -0.1077 10 TRP j NE1 ? ? 1 +43010 C CE2 . TRP AC 10 0.9605 1.1211 0.9961 0.0467 -0.0858 -0.1067 10 TRP j CE2 ? ? 1 +43011 C CZ2 . TRP AC 10 0.9741 1.1201 0.9965 0.0493 -0.0817 -0.1095 10 TRP j CZ2 ? ? 1 +43012 C CH2 . TRP AC 10 0.9654 1.1119 0.9965 0.0494 -0.0747 -0.1076 10 TRP j CH2 ? ? 1 +43013 C CZ3 . TRP AC 10 0.9410 1.1022 0.9931 0.0467 -0.0721 -0.1031 10 TRP j CZ3 ? ? 1 +43014 C CE3 . TRP AC 10 0.9267 1.1023 0.9918 0.0438 -0.0761 -0.1004 10 TRP j CE3 ? ? 1 +43015 C CD2 . TRP AC 10 0.9389 1.1144 0.9959 0.0438 -0.0831 -0.1022 10 TRP j CD2 ? ? 1 +43016 C C . TRP AC 10 0.9088 1.1130 1.0114 0.0274 -0.0943 -0.1024 10 TRP j C ? ? 1 +43017 O O . TRP AC 10 0.8990 1.1059 1.0114 0.0271 -0.0881 -0.0997 10 TRP j O ? ? 1 +43018 N N . ILE AC 11 0.9273 1.1206 1.0184 0.0251 -0.1007 -0.1087 11 ILE j N ? ? 1 +43019 C CA . ILE AC 11 0.9335 1.1175 1.0235 0.0214 -0.1006 -0.1127 11 ILE j CA ? ? 1 +43020 C CB . ILE AC 11 0.9532 1.1218 1.0243 0.0213 -0.1063 -0.1196 11 ILE j CB ? ? 1 +43021 C CG1 . ILE AC 11 0.9680 1.1254 1.0189 0.0294 -0.1018 -0.1188 11 ILE j CG1 ? ? 1 +43022 C CG2 . ILE AC 11 0.9590 1.1174 1.0290 0.0169 -0.1065 -0.1240 11 ILE j CG2 ? ? 1 +43023 C CD1 . ILE AC 11 0.9915 1.1346 1.0233 0.0297 -0.1077 -0.1251 11 ILE j CD1 ? ? 1 +43024 C C . ILE AC 11 0.9214 1.1160 1.0312 0.0136 -0.1042 -0.1133 11 ILE j C ? ? 1 +43025 O O . ILE AC 11 0.9212 1.1142 1.0380 0.0114 -0.1000 -0.1128 11 ILE j O ? ? 1 +43026 N N . VAL AC 12 0.9124 1.1180 1.0312 0.0097 -0.1117 -0.1141 12 VAL j N ? ? 1 +43027 C CA . VAL AC 12 0.8966 1.1137 1.0347 0.0023 -0.1152 -0.1146 12 VAL j CA ? ? 1 +43028 C CB . VAL AC 12 0.8906 1.1196 1.0365 -0.0007 -0.1239 -0.1158 12 VAL j CB ? ? 1 +43029 C CG1 . VAL AC 12 0.8783 1.1183 1.0437 -0.0088 -0.1274 -0.1170 12 VAL j CG1 ? ? 1 +43030 C CG2 . VAL AC 12 0.9100 1.1306 1.0404 -0.0003 -0.1320 -0.1216 12 VAL j CG2 ? ? 1 +43031 C C . VAL AC 12 0.8765 1.1033 1.0299 0.0029 -0.1075 -0.1083 12 VAL j C ? ? 1 +43032 O O . VAL AC 12 0.8709 1.0986 1.0342 -0.0015 -0.1056 -0.1085 12 VAL j O ? ? 1 +43033 N N . ALA AC 13 0.8652 1.0989 1.0197 0.0083 -0.1032 -0.1029 13 ALA j N ? ? 1 +43034 C CA . ALA AC 13 0.8405 1.0839 1.0088 0.0095 -0.0960 -0.0968 13 ALA j CA ? ? 1 +43035 C CB . ALA AC 13 0.8356 1.0855 1.0026 0.0154 -0.0926 -0.0917 13 ALA j CB ? ? 1 +43036 C C . ALA AC 13 0.8380 1.0727 1.0034 0.0115 -0.0883 -0.0959 13 ALA j C ? ? 1 +43037 O O . ALA AC 13 0.8226 1.0634 1.0016 0.0091 -0.0849 -0.0934 13 ALA j O ? ? 1 +43038 N N . THR AC 14 0.8548 1.0750 1.0023 0.0161 -0.0858 -0.0980 14 THR j N ? ? 1 +43039 C CA . THR AC 14 0.8627 1.0737 1.0059 0.0190 -0.0784 -0.0973 14 THR j CA ? ? 1 +43040 C CB . THR AC 14 0.8826 1.0795 1.0049 0.0257 -0.0751 -0.0987 14 THR j CB ? ? 1 +43041 O OG1 . THR AC 14 0.8789 1.0812 0.9978 0.0310 -0.0725 -0.0950 14 THR j OG1 ? ? 1 +43042 C CG2 . THR AC 14 0.8857 1.0739 1.0039 0.0295 -0.0671 -0.0978 14 THR j CG2 ? ? 1 +43043 C C . THR AC 14 0.8693 1.0744 1.0162 0.0130 -0.0806 -0.1011 14 THR j C ? ? 1 +43044 O O . THR AC 14 0.8607 1.0660 1.0149 0.0129 -0.0753 -0.0988 14 THR j O ? ? 1 +43045 N N . VAL AC 15 0.8844 1.0839 1.0260 0.0081 -0.0883 -0.1068 15 VAL j N ? ? 1 +43046 C CA . VAL AC 15 0.8916 1.0853 1.0366 0.0015 -0.0910 -0.1109 15 VAL j CA ? ? 1 +43047 C CB . VAL AC 15 0.9105 1.0959 1.0454 -0.0027 -0.0996 -0.1179 15 VAL j CB ? ? 1 +43048 C CG1 . VAL AC 15 0.9078 1.0931 1.0521 -0.0117 -0.1039 -0.1218 15 VAL j CG1 ? ? 1 +43049 C CG2 . VAL AC 15 0.9304 1.0979 1.0436 0.0021 -0.0979 -0.1212 15 VAL j CG2 ? ? 1 +43050 C C . VAL AC 15 0.8737 1.0810 1.0396 -0.0045 -0.0917 -0.1085 15 VAL j C ? ? 1 +43051 O O . VAL AC 15 0.8737 1.0780 1.0452 -0.0073 -0.0886 -0.1083 15 VAL j O ? ? 1 +43052 N N . ALA AC 16 0.8630 1.0848 1.0398 -0.0064 -0.0958 -0.1069 16 ALA j N ? ? 1 +43053 C CA . ALA AC 16 0.8473 1.0831 1.0440 -0.0115 -0.0963 -0.1043 16 ALA j CA ? ? 1 +43054 C CB . ALA AC 16 0.8401 1.0903 1.0455 -0.0126 -0.1015 -0.1032 16 ALA j CB ? ? 1 +43055 C C . ALA AC 16 0.8347 1.0749 1.0396 -0.0082 -0.0878 -0.0984 16 ALA j C ? ? 1 +43056 O O . ALA AC 16 0.8266 1.0696 1.0426 -0.0124 -0.0861 -0.0975 16 ALA j O ? ? 1 +43057 N N . GLY AC 17 0.8346 1.0753 1.0339 -0.0008 -0.0825 -0.0944 17 GLY j N ? ? 1 +43058 C CA . GLY AC 17 0.8243 1.0693 1.0306 0.0031 -0.0745 -0.0889 17 GLY j CA ? ? 1 +43059 C C . GLY AC 17 0.8321 1.0660 1.0348 0.0033 -0.0699 -0.0898 17 GLY j C ? ? 1 +43060 O O . GLY AC 17 0.8148 1.0537 1.0292 0.0017 -0.0666 -0.0870 17 GLY j O ? ? 1 +43061 N N . MET AC 18 0.8624 1.0807 1.0486 0.0054 -0.0699 -0.0938 18 MET j N ? ? 1 +43062 C CA . MET AC 18 0.8836 1.0895 1.0644 0.0061 -0.0658 -0.0950 18 MET j CA ? ? 1 +43063 C CB . MET AC 18 0.9228 1.1116 1.0832 0.0093 -0.0661 -0.0995 18 MET j CB ? ? 1 +43064 C CG . MET AC 18 0.9437 1.1302 1.0943 0.0181 -0.0604 -0.0968 18 MET j CG ? ? 1 +43065 S SD . MET AC 18 1.0057 1.1727 1.1317 0.0217 -0.0616 -0.1024 18 MET j SD ? ? 1 +43066 C CE . MET AC 18 1.0147 1.1676 1.1347 0.0247 -0.0550 -0.1029 18 MET j CE ? ? 1 +43067 C C . MET AC 18 0.8728 1.0786 1.0629 -0.0020 -0.0690 -0.0972 18 MET j C ? ? 1 +43068 O O . MET AC 18 0.8669 1.0701 1.0617 -0.0023 -0.0647 -0.0955 18 MET j O ? ? 1 +43069 N N . GLY AC 19 0.8655 1.0740 1.0582 -0.0086 -0.0765 -0.1011 19 GLY j N ? ? 1 +43070 C CA . GLY AC 19 0.8537 1.0642 1.0569 -0.0170 -0.0799 -0.1032 19 GLY j CA ? ? 1 +43071 C C . GLY AC 19 0.8267 1.0498 1.0474 -0.0184 -0.0763 -0.0981 19 GLY j C ? ? 1 +43072 O O . GLY AC 19 0.8287 1.0476 1.0536 -0.0215 -0.0739 -0.0979 19 GLY j O ? ? 1 +43073 N N . VAL AC 20 0.8064 1.0442 1.0365 -0.0161 -0.0760 -0.0939 20 VAL j N ? ? 1 +43074 C CA . VAL AC 20 0.7871 1.0374 1.0332 -0.0167 -0.0726 -0.0888 20 VAL j CA ? ? 1 +43075 C CB . VAL AC 20 0.7752 1.0407 1.0290 -0.0142 -0.0735 -0.0852 20 VAL j CB ? ? 1 +43076 C CG1 . VAL AC 20 0.7580 1.0347 1.0251 -0.0120 -0.0682 -0.0791 20 VAL j CG1 ? ? 1 +43077 C CG2 . VAL AC 20 0.7686 1.0425 1.0295 -0.0204 -0.0814 -0.0881 20 VAL j CG2 ? ? 1 +43078 C C . VAL AC 20 0.7843 1.0293 1.0290 -0.0118 -0.0648 -0.0853 20 VAL j C ? ? 1 +43079 O O . VAL AC 20 0.7767 1.0248 1.0315 -0.0144 -0.0626 -0.0833 20 VAL j O ? ? 1 +43080 N N . ILE AC 21 0.7891 1.0261 1.0213 -0.0045 -0.0608 -0.0847 21 ILE j N ? ? 1 +43081 C CA . ILE AC 21 0.7856 1.0178 1.0162 0.0009 -0.0535 -0.0817 21 ILE j CA ? ? 1 +43082 C CB . ILE AC 21 0.7981 1.0242 1.0154 0.0093 -0.0495 -0.0811 21 ILE j CB ? ? 1 +43083 C CG1 . ILE AC 21 0.7892 1.0280 1.0106 0.0123 -0.0496 -0.0780 21 ILE j CG1 ? ? 1 +43084 C CG2 . ILE AC 21 0.8016 1.0221 1.0165 0.0154 -0.0422 -0.0785 21 ILE j CG2 ? ? 1 +43085 C CD1 . ILE AC 21 0.8045 1.0363 1.0111 0.0193 -0.0469 -0.0785 21 ILE j CD1 ? ? 1 +43086 C C . ILE AC 21 0.7928 1.0121 1.0195 -0.0022 -0.0528 -0.0843 21 ILE j C ? ? 1 +43087 O O . ILE AC 21 0.7892 1.0090 1.0220 -0.0012 -0.0485 -0.0814 21 ILE j O ? ? 1 +43088 N N . VAL AC 22 0.8073 1.0146 1.0235 -0.0059 -0.0570 -0.0898 22 VAL j N ? ? 1 +43089 C CA . VAL AC 22 0.8150 1.0085 1.0261 -0.0092 -0.0564 -0.0927 22 VAL j CA ? ? 1 +43090 C CB . VAL AC 22 0.8269 1.0063 1.0238 -0.0122 -0.0610 -0.0991 22 VAL j CB ? ? 1 +43091 C CG1 . VAL AC 22 0.8379 1.0033 1.0306 -0.0168 -0.0606 -0.1021 22 VAL j CG1 ? ? 1 +43092 C CG2 . VAL AC 22 0.8370 1.0074 1.0177 -0.0046 -0.0590 -0.1002 22 VAL j CG2 ? ? 1 +43093 C C . VAL AC 22 0.8094 1.0097 1.0352 -0.0164 -0.0575 -0.0916 22 VAL j C ? ? 1 +43094 O O . VAL AC 22 0.8154 1.0096 1.0423 -0.0165 -0.0537 -0.0903 22 VAL j O ? ? 1 +43095 N N . ILE AC 23 0.8050 1.0179 1.0420 -0.0222 -0.0625 -0.0920 23 ILE j N ? ? 1 +43096 C CA . ILE AC 23 0.8016 1.0207 1.0521 -0.0296 -0.0637 -0.0915 23 ILE j CA ? ? 1 +43097 C CB . ILE AC 23 0.8052 1.0350 1.0643 -0.0366 -0.0708 -0.0943 23 ILE j CB ? ? 1 +43098 C CG1 . ILE AC 23 0.8026 1.0372 1.0748 -0.0451 -0.0722 -0.0947 23 ILE j CG1 ? ? 1 +43099 C CG2 . ILE AC 23 0.7951 1.0406 1.0613 -0.0331 -0.0721 -0.0911 23 ILE j CG2 ? ? 1 +43100 C CD1 . ILE AC 23 0.8229 1.0451 1.0893 -0.0525 -0.0754 -0.1007 23 ILE j CD1 ? ? 1 +43101 C C . ILE AC 23 0.7795 1.0087 1.0418 -0.0266 -0.0586 -0.0854 23 ILE j C ? ? 1 +43102 O O . ILE AC 23 0.7771 1.0038 1.0446 -0.0294 -0.0562 -0.0842 23 ILE j O ? ? 1 +43103 N N . VAL AC 24 0.7645 1.0046 1.0305 -0.0208 -0.0569 -0.0815 24 VAL j N ? ? 1 +43104 C CA . VAL AC 24 0.7420 0.9917 1.0184 -0.0172 -0.0520 -0.0759 24 VAL j CA ? ? 1 +43105 C CB . VAL AC 24 0.7419 1.0043 1.0222 -0.0120 -0.0512 -0.0724 24 VAL j CB ? ? 1 +43106 C CG1 . VAL AC 24 0.7305 1.0006 1.0189 -0.0068 -0.0454 -0.0668 24 VAL j CG1 ? ? 1 +43107 C CG2 . VAL AC 24 0.7367 1.0121 1.0269 -0.0172 -0.0568 -0.0730 24 VAL j CG2 ? ? 1 +43108 C C . VAL AC 24 0.7350 0.9734 1.0043 -0.0120 -0.0461 -0.0744 24 VAL j C ? ? 1 +43109 O O . VAL AC 24 0.7286 0.9692 1.0057 -0.0126 -0.0432 -0.0716 24 VAL j O ? ? 1 +43110 N N . GLY AC 25 0.7357 0.9622 0.9903 -0.0067 -0.0444 -0.0763 25 GLY j N ? ? 1 +43111 C CA . GLY AC 25 0.7337 0.9481 0.9800 -0.0014 -0.0392 -0.0757 25 GLY j CA ? ? 1 +43112 C C . GLY AC 25 0.7324 0.9366 0.9784 -0.0066 -0.0392 -0.0772 25 GLY j C ? ? 1 +43113 O O . GLY AC 25 0.7275 0.9283 0.9747 -0.0035 -0.0349 -0.0746 25 GLY j O ? ? 1 +43114 N N . LEU AC 26 0.7315 0.9310 0.9760 -0.0145 -0.0441 -0.0816 26 LEU j N ? ? 1 +43115 C CA . LEU AC 26 0.7325 0.9219 0.9765 -0.0205 -0.0444 -0.0836 26 LEU j CA ? ? 1 +43116 C CB . LEU AC 26 0.7434 0.9281 0.9841 -0.0288 -0.0504 -0.0893 26 LEU j CB ? ? 1 +43117 C CG . LEU AC 26 0.7552 0.9266 0.9925 -0.0356 -0.0509 -0.0925 26 LEU j CG ? ? 1 +43118 C CD1 . LEU AC 26 0.7766 0.9278 0.9963 -0.0317 -0.0485 -0.0951 26 LEU j CD1 ? ? 1 +43119 C CD2 . LEU AC 26 0.7574 0.9318 0.9992 -0.0453 -0.0571 -0.0971 26 LEU j CD2 ? ? 1 +43120 C C . LEU AC 26 0.7084 0.9080 0.9674 -0.0238 -0.0429 -0.0796 26 LEU j C ? ? 1 +43121 O O . LEU AC 26 0.7079 0.8989 0.9658 -0.0248 -0.0401 -0.0789 26 LEU j O ? ? 1 +43122 N N . PHE AC 27 0.6862 0.9034 0.9585 -0.0252 -0.0447 -0.0772 27 PHE j N ? ? 1 +43123 C CA . PHE AC 27 0.6680 0.8962 0.9549 -0.0281 -0.0435 -0.0734 27 PHE j CA ? ? 1 +43124 C CB . PHE AC 27 0.6518 0.8983 0.9517 -0.0310 -0.0471 -0.0723 27 PHE j CB ? ? 1 +43125 C CG . PHE AC 27 0.6562 0.9047 0.9580 -0.0388 -0.0532 -0.0768 27 PHE j CG ? ? 1 +43126 C CD1 . PHE AC 27 0.6718 0.9071 0.9662 -0.0445 -0.0553 -0.0816 27 PHE j CD1 ? ? 1 +43127 C CD2 . PHE AC 27 0.6439 0.9076 0.9549 -0.0404 -0.0570 -0.0764 27 PHE j CD2 ? ? 1 +43128 C CE1 . PHE AC 27 0.6759 0.9140 0.9729 -0.0517 -0.0611 -0.0861 27 PHE j CE1 ? ? 1 +43129 C CE2 . PHE AC 27 0.6471 0.9133 0.9604 -0.0471 -0.0629 -0.0807 27 PHE j CE2 ? ? 1 +43130 C CZ . PHE AC 27 0.6635 0.9173 0.9701 -0.0528 -0.0650 -0.0856 27 PHE j CZ ? ? 1 +43131 C C . PHE AC 27 0.6598 0.8898 0.9489 -0.0209 -0.0379 -0.0684 27 PHE j C ? ? 1 +43132 O O . PHE AC 27 0.6528 0.8830 0.9480 -0.0226 -0.0357 -0.0661 27 PHE j O ? ? 1 +43133 N N . PHE AC 28 0.6592 0.8909 0.9434 -0.0127 -0.0355 -0.0668 28 PHE j N ? ? 1 +43134 C CA . PHE AC 28 0.6557 0.8876 0.9403 -0.0052 -0.0301 -0.0627 28 PHE j CA ? ? 1 +43135 C CB . PHE AC 28 0.6544 0.8924 0.9365 0.0026 -0.0281 -0.0611 28 PHE j CB ? ? 1 +43136 C CG . PHE AC 28 0.6381 0.8949 0.9339 0.0022 -0.0290 -0.0578 28 PHE j CG ? ? 1 +43137 C CD1 . PHE AC 28 0.6242 0.8916 0.9323 0.0029 -0.0268 -0.0535 28 PHE j CD1 ? ? 1 +43138 C CD2 . PHE AC 28 0.6378 0.9013 0.9337 0.0008 -0.0324 -0.0592 28 PHE j CD2 ? ? 1 +43139 C CE1 . PHE AC 28 0.6084 0.8926 0.9288 0.0023 -0.0277 -0.0506 28 PHE j CE1 ? ? 1 +43140 C CE2 . PHE AC 28 0.6217 0.9018 0.9296 0.0004 -0.0333 -0.0561 28 PHE j CE2 ? ? 1 +43141 C CZ . PHE AC 28 0.6069 0.8971 0.9271 0.0010 -0.0309 -0.0519 28 PHE j CZ ? ? 1 +43142 C C . PHE AC 28 0.6711 0.8851 0.9444 -0.0030 -0.0272 -0.0641 28 PHE j C ? ? 1 +43143 O O . PHE AC 28 0.6705 0.8837 0.9471 -0.0006 -0.0239 -0.0611 28 PHE j O ? ? 1 +43144 N N . TYR AC 29 0.6872 0.8866 0.9468 -0.0038 -0.0286 -0.0686 29 TYR j N ? ? 1 +43145 C CA . TYR AC 29 0.7034 0.8845 0.9518 -0.0030 -0.0264 -0.0703 29 TYR j CA ? ? 1 +43146 C CB . TYR AC 29 0.7276 0.8935 0.9614 -0.0053 -0.0290 -0.0759 29 TYR j CB ? ? 1 +43147 C CG . TYR AC 29 0.7486 0.8951 0.9717 -0.0065 -0.0273 -0.0781 29 TYR j CG ? ? 1 +43148 C CD1 . TYR AC 29 0.7589 0.8947 0.9728 0.0016 -0.0227 -0.0767 29 TYR j CD1 ? ? 1 +43149 C CD2 . TYR AC 29 0.7561 0.8953 0.9789 -0.0159 -0.0302 -0.0812 29 TYR j CD2 ? ? 1 +43150 C CE1 . TYR AC 29 0.7783 0.8956 0.9820 0.0008 -0.0211 -0.0784 29 TYR j CE1 ? ? 1 +43151 C CE2 . TYR AC 29 0.7746 0.8953 0.9874 -0.0173 -0.0284 -0.0830 29 TYR j CE2 ? ? 1 +43152 C CZ . TYR AC 29 0.7887 0.8981 0.9915 -0.0088 -0.0239 -0.0815 29 TYR j CZ ? ? 1 +43153 O OH . TYR AC 29 0.8114 0.9017 1.0034 -0.0096 -0.0220 -0.0831 29 TYR j OH ? ? 1 +43154 C C . TYR AC 29 0.6984 0.8776 0.9535 -0.0094 -0.0265 -0.0694 29 TYR j C ? ? 1 +43155 O O . TYR AC 29 0.7041 0.8756 0.9565 -0.0062 -0.0229 -0.0674 29 TYR j O ? ? 1 +43156 N N . GLY AC 30 0.6873 0.8739 0.9511 -0.0182 -0.0304 -0.0707 30 GLY j N ? ? 1 +43157 C CA . GLY AC 30 0.6838 0.8679 0.9533 -0.0252 -0.0305 -0.0704 30 GLY j CA ? ? 1 +43158 C C . GLY AC 30 0.6676 0.8617 0.9486 -0.0233 -0.0275 -0.0651 30 GLY j C ? ? 1 +43159 O O . GLY AC 30 0.6679 0.8573 0.9514 -0.0277 -0.0264 -0.0644 30 GLY j O ? ? 1 +43160 N N . ALA AC 31 0.6544 0.8620 0.9420 -0.0169 -0.0262 -0.0616 31 ALA j N ? ? 1 +43161 C CA . ALA AC 31 0.6378 0.8546 0.9350 -0.0134 -0.0232 -0.0565 31 ALA j CA ? ? 1 +43162 C CB . ALA AC 31 0.6209 0.8546 0.9265 -0.0085 -0.0231 -0.0537 31 ALA j CB ? ? 1 +43163 C C . ALA AC 31 0.6470 0.8515 0.9359 -0.0068 -0.0189 -0.0549 31 ALA j C ? ? 1 +43164 O O . ALA AC 31 0.6394 0.8480 0.9346 -0.0048 -0.0167 -0.0512 31 ALA j O ? ? 1 +43165 N N . TYR AC 32 0.6643 0.8538 0.9388 -0.0030 -0.0179 -0.0577 32 TYR j N ? ? 1 +43166 C CA . TYR AC 32 0.6764 0.8531 0.9415 0.0040 -0.0140 -0.0566 32 TYR j CA ? ? 1 +43167 C CB . TYR AC 32 0.6835 0.8591 0.9411 0.0128 -0.0122 -0.0570 32 TYR j CB ? ? 1 +43168 C CG . TYR AC 32 0.6692 0.8636 0.9379 0.0177 -0.0113 -0.0536 32 TYR j CG ? ? 1 +43169 C CD1 . TYR AC 32 0.6625 0.8638 0.9379 0.0237 -0.0082 -0.0494 32 TYR j CD1 ? ? 1 +43170 C CD2 . TYR AC 32 0.6647 0.8698 0.9371 0.0163 -0.0136 -0.0546 32 TYR j CD2 ? ? 1 +43171 C CE1 . TYR AC 32 0.6488 0.8672 0.9345 0.0279 -0.0072 -0.0464 32 TYR j CE1 ? ? 1 +43172 C CE2 . TYR AC 32 0.6512 0.8728 0.9333 0.0205 -0.0124 -0.0513 32 TYR j CE2 ? ? 1 +43173 C CZ . TYR AC 32 0.6431 0.8715 0.9321 0.0262 -0.0091 -0.0473 32 TYR j CZ ? ? 1 +43174 O OH . TYR AC 32 0.6310 0.8755 0.9298 0.0301 -0.0078 -0.0443 32 TYR j OH ? ? 1 +43175 C C . TYR AC 32 0.6949 0.8510 0.9478 0.0001 -0.0139 -0.0597 32 TYR j C ? ? 1 +43176 O O . TYR AC 32 0.7081 0.8510 0.9512 0.0058 -0.0109 -0.0593 32 TYR j O ? ? 1 +43177 N N . ALA AC 33 0.6969 0.8503 0.9505 -0.0095 -0.0171 -0.0629 33 ALA j N ? ? 1 +43178 C CA . ALA AC 33 0.7137 0.8477 0.9562 -0.0144 -0.0172 -0.0662 33 ALA j CA ? ? 1 +43179 C CB . ALA AC 33 0.7303 0.8525 0.9593 -0.0135 -0.0186 -0.0709 33 ALA j CB ? ? 1 +43180 C C . ALA AC 33 0.7096 0.8461 0.9599 -0.0256 -0.0195 -0.0674 33 ALA j C ? ? 1 +43181 O O . ALA AC 33 0.6982 0.8502 0.9602 -0.0306 -0.0226 -0.0676 33 ALA j O ? ? 1 +43182 N N . GLY AC 34 0.7208 0.8415 0.9641 -0.0293 -0.0179 -0.0683 34 GLY j N ? ? 1 +43183 C CA . GLY AC 34 0.7195 0.8395 0.9684 -0.0401 -0.0193 -0.0697 34 GLY j CA ? ? 1 +43184 C C . GLY AC 34 0.6984 0.8356 0.9634 -0.0421 -0.0189 -0.0655 34 GLY j C ? ? 1 +43185 O O . GLY AC 34 0.6882 0.8316 0.9570 -0.0351 -0.0165 -0.0610 34 GLY j O ? ? 1 +43186 N N . LEU AC 35 0.6920 0.8371 0.9666 -0.0517 -0.0216 -0.0672 35 LEU j N ? ? 1 +43187 C CA . LEU AC 35 0.6712 0.8333 0.9615 -0.0545 -0.0216 -0.0638 35 LEU j CA ? ? 1 +43188 C CB . LEU AC 35 0.6673 0.8376 0.9669 -0.0651 -0.0252 -0.0670 35 LEU j CB ? ? 1 +43189 C CG . LEU AC 35 0.6822 0.8383 0.9770 -0.0741 -0.0248 -0.0703 35 LEU j CG ? ? 1 +43190 C CD1 . LEU AC 35 0.6744 0.8424 0.9815 -0.0841 -0.0282 -0.0730 35 LEU j CD1 ? ? 1 +43191 C CD2 . LEU AC 35 0.6867 0.8335 0.9790 -0.0738 -0.0202 -0.0669 35 LEU j CD2 ? ? 1 +43192 C C . LEU AC 35 0.6518 0.8311 0.9502 -0.0468 -0.0220 -0.0603 35 LEU j C ? ? 1 +43193 O O . LEU AC 35 0.6555 0.8389 0.9516 -0.0434 -0.0240 -0.0620 35 LEU j O ? ? 1 +43194 N N . GLY AC 36 0.6352 0.8236 0.9425 -0.0444 -0.0199 -0.0557 36 GLY j N ? ? 1 +43195 C CA . GLY AC 36 0.6150 0.8213 0.9324 -0.0388 -0.0201 -0.0522 36 GLY j CA ? ? 1 +43196 C C . GLY AC 36 0.6150 0.8190 0.9259 -0.0278 -0.0177 -0.0501 36 GLY j C ? ? 1 +43197 O O . GLY AC 36 0.5990 0.8172 0.9173 -0.0229 -0.0179 -0.0476 36 GLY j O ? ? 1 +43198 N N . SER AC 37 0.6325 0.8184 0.9295 -0.0241 -0.0155 -0.0511 37 SER j N ? ? 1 +43199 C CA . SER AC 37 0.6351 0.8176 0.9250 -0.0136 -0.0131 -0.0497 37 SER j CA ? ? 1 +43200 C CB . SER AC 37 0.6565 0.8199 0.9300 -0.0119 -0.0127 -0.0535 37 SER j CB ? ? 1 +43201 O OG . SER AC 37 0.6711 0.8172 0.9354 -0.0119 -0.0102 -0.0533 37 SER j OG ? ? 1 +43202 C C . SER AC 37 0.6305 0.8122 0.9216 -0.0074 -0.0098 -0.0453 37 SER j C ? ? 1 +43203 O O . SER AC 37 0.6328 0.8144 0.9204 0.0017 -0.0078 -0.0438 37 SER j O ? ? 1 +43204 N N . SER AC 38 0.6255 0.8067 0.9215 -0.0124 -0.0092 -0.0435 38 SER j N ? ? 1 +43205 C CA . SER AC 38 0.6220 0.8010 0.9183 -0.0074 -0.0063 -0.0396 38 SER j CA ? ? 1 +43206 C CB . SER AC 38 0.6074 0.8004 0.9107 0.0017 -0.0054 -0.0362 38 SER j CB ? ? 1 +43207 O OG . SER AC 38 0.6174 0.8015 0.9104 0.0108 -0.0035 -0.0366 38 SER j OG ? ? 1 +43208 C C . SER AC 38 0.6421 0.7992 0.9231 -0.0042 -0.0038 -0.0403 38 SER j C ? ? 1 +43209 O O . SER AC 38 0.6429 0.7954 0.9227 -0.0012 -0.0017 -0.0373 38 SER j O ? ? 1 +43210 N N . LEU AC 39 0.6588 0.8019 0.9277 -0.0048 -0.0042 -0.0442 39 LEU j N ? ? 1 +43211 C CA . LEU AC 39 0.6804 0.8020 0.9335 -0.0008 -0.0019 -0.0452 39 LEU j CA ? ? 1 +43212 C CB . LEU AC 39 0.6915 0.8060 0.9343 0.0044 -0.0021 -0.0483 39 LEU j CB ? ? 1 +43213 C CG . LEU AC 39 0.6805 0.8084 0.9282 0.0138 -0.0016 -0.0465 39 LEU j CG ? ? 1 +43214 C CD1 . LEU AC 39 0.6931 0.8137 0.9303 0.0177 -0.0017 -0.0500 39 LEU j CD1 ? ? 1 +43215 C CD2 . LEU AC 39 0.6795 0.8069 0.9269 0.0229 0.0012 -0.0426 39 LEU j CD2 ? ? 1 +43216 C C . LEU AC 39 0.6963 0.8020 0.9424 -0.0096 -0.0017 -0.0474 39 LEU j C ? ? 1 +43217 O O . LEU AC 39 0.6921 0.8023 0.9440 -0.0193 -0.0039 -0.0496 39 LEU j O ? ? 1 +43218 O OXT . LEU AC 39 0.7131 0.8009 0.9474 -0.0072 0.0007 -0.0471 39 LEU j OXT ? ? 1 +43219 N N . LYS AD 1 0.9966 1.0850 1.1396 0.1700 0.0477 -0.0646 10 LYS k N ? ? 1 +43220 C CA . LYS AD 1 1.0110 1.0829 1.1378 0.1659 0.0468 -0.0685 10 LYS k CA ? ? 1 +43221 C CB . LYS AD 1 1.0408 1.0877 1.1510 0.1669 0.0457 -0.0709 10 LYS k CB ? ? 1 +43222 C CG . LYS AD 1 1.0516 1.0910 1.1616 0.1566 0.0408 -0.0703 10 LYS k CG ? ? 1 +43223 C CD . LYS AD 1 1.0500 1.0976 1.1722 0.1569 0.0397 -0.0662 10 LYS k CD ? ? 1 +43224 C CE . LYS AD 1 1.0521 1.0942 1.1754 0.1460 0.0353 -0.0654 10 LYS k CE ? ? 1 +43225 N NZ . LYS AD 1 1.0376 1.0968 1.1738 0.1367 0.0327 -0.0641 10 LYS k NZ ? ? 1 +43226 C C . LYS AD 1 1.0075 1.0820 1.1294 0.1725 0.0512 -0.0706 10 LYS k C ? ? 1 +43227 O O . LYS AD 1 1.0105 1.0960 1.1395 0.1812 0.0553 -0.0693 10 LYS k O ? ? 1 +43228 N N . LEU AD 2 1.0078 1.0726 1.1178 0.1681 0.0503 -0.0738 11 LEU k N ? ? 1 +43229 C CA . LEU AD 2 1.0143 1.0760 1.1151 0.1745 0.0545 -0.0765 11 LEU k CA ? ? 1 +43230 C CB . LEU AD 2 1.0215 1.0753 1.1115 0.1673 0.0522 -0.0796 11 LEU k CB ? ? 1 +43231 C CG . LEU AD 2 1.0000 1.0694 1.1012 0.1582 0.0491 -0.0778 11 LEU k CG ? ? 1 +43232 C CD1 . LEU AD 2 1.0099 1.0672 1.0985 0.1503 0.0452 -0.0814 11 LEU k CD1 ? ? 1 +43233 C CD2 . LEU AD 2 0.9848 1.0732 1.0962 0.1626 0.0533 -0.0759 11 LEU k CD2 ? ? 1 +43234 C C . LEU AD 2 1.0330 1.0764 1.1199 0.1835 0.0571 -0.0788 11 LEU k C ? ? 1 +43235 O O . LEU AD 2 1.0402 1.0686 1.1201 0.1819 0.0546 -0.0794 11 LEU k O ? ? 1 +43236 N N . PRO AD 3 1.0430 1.0863 1.1251 0.1933 0.0624 -0.0803 12 PRO k N ? ? 1 +43237 C CA . PRO AD 3 1.0703 1.0941 1.1368 0.2016 0.0648 -0.0832 12 PRO k CA ? ? 1 +43238 C CB . PRO AD 3 1.0726 1.1023 1.1372 0.2107 0.0709 -0.0846 12 PRO k CB ? ? 1 +43239 C CG . PRO AD 3 1.0473 1.1034 1.1314 0.2092 0.0723 -0.0811 12 PRO k CG ? ? 1 +43240 C CD . PRO AD 3 1.0311 1.0927 1.1222 0.1968 0.0666 -0.0794 12 PRO k CD ? ? 1 +43241 C C . PRO AD 3 1.0969 1.0974 1.1452 0.1952 0.0612 -0.0868 12 PRO k C ? ? 1 +43242 O O . PRO AD 3 1.0948 1.0954 1.1408 0.1865 0.0583 -0.0880 12 PRO k O ? ? 1 +43243 N N . GLU AD 4 1.1247 1.1053 1.1602 0.1996 0.0613 -0.0886 13 GLU k N ? ? 1 +43244 C CA . GLU AD 4 1.1527 1.1101 1.1715 0.1933 0.0578 -0.0919 13 GLU k CA ? ? 1 +43245 C CB . GLU AD 4 1.1937 1.1311 1.2001 0.2010 0.0592 -0.0932 13 GLU k CB ? ? 1 +43246 C CG . GLU AD 4 1.2351 1.1473 1.2246 0.1944 0.0556 -0.0964 13 GLU k CG ? ? 1 +43247 C CD . GLU AD 4 1.2457 1.1591 1.2420 0.1822 0.0503 -0.0946 13 GLU k CD ? ? 1 +43248 O OE1 . GLU AD 4 1.2273 1.1584 1.2407 0.1807 0.0495 -0.0904 13 GLU k OE1 ? ? 1 +43249 O OE2 . GLU AD 4 1.2773 1.1744 1.2620 0.1740 0.0471 -0.0976 13 GLU k OE2 ? ? 1 +43250 C C . GLU AD 4 1.1543 1.1029 1.1596 0.1906 0.0578 -0.0961 13 GLU k C ? ? 1 +43251 O O . GLU AD 4 1.1583 1.0972 1.1566 0.1810 0.0535 -0.0982 13 GLU k O ? ? 1 +43252 N N . ALA AD 5 1.1490 1.1015 1.1512 0.1991 0.0628 -0.0973 14 ALA k N ? ? 1 +43253 C CA . ALA AD 5 1.1562 1.1006 1.1449 0.1981 0.0636 -0.1012 14 ALA k CA ? ? 1 +43254 C CB . ALA AD 5 1.1630 1.1133 1.1505 0.2096 0.0703 -0.1017 14 ALA k CB ? ? 1 +43255 C C . ALA AD 5 1.1362 1.0912 1.1304 0.1876 0.0600 -0.1009 14 ALA k C ? ? 1 +43256 O O . ALA AD 5 1.1483 1.0916 1.1292 0.1833 0.0580 -0.1046 14 ALA k O ? ? 1 +43257 N N . TYR AD 6 1.1054 1.0824 1.1190 0.1840 0.0591 -0.0967 15 TYR k N ? ? 1 +43258 C CA . TYR AD 6 1.0858 1.0751 1.1067 0.1747 0.0557 -0.0959 15 TYR k CA ? ? 1 +43259 C CB . TYR AD 6 1.0579 1.0730 1.0978 0.1771 0.0586 -0.0917 15 TYR k CB ? ? 1 +43260 C CG . TYR AD 6 1.0566 1.0773 1.0952 0.1877 0.0655 -0.0919 15 TYR k CG ? ? 1 +43261 C CD1 . TYR AD 6 1.0614 1.0826 1.1026 0.1978 0.0700 -0.0911 15 TYR k CD1 ? ? 1 +43262 C CD2 . TYR AD 6 1.0545 1.0796 1.0888 0.1877 0.0677 -0.0932 15 TYR k CD2 ? ? 1 +43263 C CE1 . TYR AD 6 1.0641 1.0911 1.1048 0.2076 0.0766 -0.0915 15 TYR k CE1 ? ? 1 +43264 C CE2 . TYR AD 6 1.0591 1.0891 1.0921 0.1972 0.0745 -0.0935 15 TYR k CE2 ? ? 1 +43265 C CZ . TYR AD 6 1.0640 1.0953 1.1006 0.2070 0.0790 -0.0927 15 TYR k CZ ? ? 1 +43266 O OH . TYR AD 6 1.0742 1.1111 1.1102 0.2164 0.0860 -0.0932 15 TYR k OH ? ? 1 +43267 C C . TYR AD 6 1.0749 1.0624 1.1001 0.1632 0.0491 -0.0953 15 TYR k C ? ? 1 +43268 O O . TYR AD 6 1.0571 1.0545 1.0887 0.1551 0.0457 -0.0947 15 TYR k O ? ? 1 +43269 N N . ALA AD 7 1.0868 1.0612 1.1082 0.1627 0.0475 -0.0955 16 ALA k N ? ? 1 +43270 C CA . ALA AD 7 1.0825 1.0569 1.1104 0.1526 0.0422 -0.0942 16 ALA k CA ? ? 1 +43271 C CB . ALA AD 7 1.0950 1.0529 1.1163 0.1548 0.0421 -0.0945 16 ALA k CB ? ? 1 +43272 C C . ALA AD 7 1.0918 1.0599 1.1136 0.1416 0.0369 -0.0972 16 ALA k C ? ? 1 +43273 O O . ALA AD 7 1.0801 1.0554 1.1117 0.1325 0.0327 -0.0957 16 ALA k O ? ? 1 +43274 N N . ILE AD 8 1.1184 1.0731 1.1240 0.1424 0.0371 -0.1017 17 ILE k N ? ? 1 +43275 C CA . ILE AD 8 1.1271 1.0749 1.1258 0.1323 0.0318 -0.1051 17 ILE k CA ? ? 1 +43276 C CB . ILE AD 8 1.1536 1.0796 1.1301 0.1346 0.0321 -0.1106 17 ILE k CB ? ? 1 +43277 C CG1 . ILE AD 8 1.1587 1.0904 1.1305 0.1411 0.0357 -0.1116 17 ILE k CG1 ? ? 1 +43278 C CG2 . ILE AD 8 1.1729 1.0789 1.1374 0.1407 0.0347 -0.1122 17 ILE k CG2 ? ? 1 +43279 C CD1 . ILE AD 8 1.1852 1.0968 1.1354 0.1434 0.0360 -0.1170 17 ILE k CD1 ? ? 1 +43280 C C . ILE AD 8 1.1090 1.0766 1.1193 0.1274 0.0298 -0.1034 17 ILE k C ? ? 1 +43281 O O . ILE AD 8 1.1135 1.0810 1.1241 0.1178 0.0244 -0.1050 17 ILE k O ? ? 1 +43282 N N . PHE AD 9 1.0944 1.0788 1.1141 0.1340 0.0341 -0.1003 18 PHE k N ? ? 1 +43283 C CA . PHE AD 9 1.0773 1.0809 1.1083 0.1304 0.0329 -0.0982 18 PHE k CA ? ? 1 +43284 C CB . PHE AD 9 1.0838 1.0955 1.1140 0.1395 0.0389 -0.0974 18 PHE k CB ? ? 1 +43285 C CG . PHE AD 9 1.1147 1.1097 1.1247 0.1433 0.0404 -0.1021 18 PHE k CG ? ? 1 +43286 C CD1 . PHE AD 9 1.1231 1.1141 1.1245 0.1375 0.0366 -0.1050 18 PHE k CD1 ? ? 1 +43287 C CD2 . PHE AD 9 1.1339 1.1163 1.1329 0.1527 0.0453 -0.1037 18 PHE k CD2 ? ? 1 +43288 C CE1 . PHE AD 9 1.1461 1.1209 1.1281 0.1409 0.0377 -0.1095 18 PHE k CE1 ? ? 1 +43289 C CE2 . PHE AD 9 1.1598 1.1261 1.1397 0.1562 0.0467 -0.1082 18 PHE k CE2 ? ? 1 +43290 C CZ . PHE AD 9 1.1669 1.1293 1.1381 0.1502 0.0429 -0.1110 18 PHE k CZ ? ? 1 +43291 C C . PHE AD 9 1.0508 1.0729 1.1022 0.1258 0.0312 -0.0935 18 PHE k C ? ? 1 +43292 O O . PHE AD 9 1.0299 1.0692 1.0924 0.1231 0.0305 -0.0912 18 PHE k O ? ? 1 +43293 N N . ASP AD 10 1.0542 1.0720 1.1098 0.1249 0.0305 -0.0921 19 ASP k N ? ? 1 +43294 C CA . ASP AD 10 1.0334 1.0672 1.1074 0.1213 0.0292 -0.0877 19 ASP k CA ? ? 1 +43295 C CB . ASP AD 10 1.0513 1.0741 1.1243 0.1214 0.0288 -0.0871 19 ASP k CB ? ? 1 +43296 C CG . ASP AD 10 1.0484 1.0859 1.1382 0.1229 0.0298 -0.0822 19 ASP k CG ? ? 1 +43297 O OD1 . ASP AD 10 1.0604 1.1039 1.1541 0.1323 0.0343 -0.0802 19 ASP k OD1 ? ? 1 +43298 O OD2 . ASP AD 10 1.0515 1.0950 1.1509 0.1147 0.0260 -0.0805 19 ASP k OD2 ? ? 1 +43299 C C . ASP AD 10 1.0116 1.0553 1.0940 0.1105 0.0238 -0.0873 19 ASP k C ? ? 1 +43300 O O . ASP AD 10 0.9969 1.0599 1.0949 0.1090 0.0237 -0.0836 19 ASP k O ? ? 1 +43301 N N . PRO AD 11 1.0063 1.0378 1.0792 0.1026 0.0190 -0.0912 20 PRO k N ? ? 1 +43302 C CA . PRO AD 11 0.9856 1.0268 1.0662 0.0927 0.0136 -0.0912 20 PRO k CA ? ? 1 +43303 C CB . PRO AD 11 1.0078 1.0302 1.0746 0.0860 0.0092 -0.0963 20 PRO k CB ? ? 1 +43304 C CG . PRO AD 11 1.0275 1.0314 1.0831 0.0909 0.0120 -0.0977 20 PRO k CG ? ? 1 +43305 C CD . PRO AD 11 1.0278 1.0356 1.0826 0.1026 0.0182 -0.0957 20 PRO k CD ? ? 1 +43306 C C . PRO AD 11 0.9654 1.0201 1.0492 0.0935 0.0139 -0.0906 20 PRO k C ? ? 1 +43307 O O . PRO AD 11 0.9499 1.0183 1.0450 0.0873 0.0105 -0.0890 20 PRO k O ? ? 1 +43308 N N . LEU AD 12 0.9682 1.0182 1.0415 0.1013 0.0179 -0.0920 21 LEU k N ? ? 1 +43309 C CA . LEU AD 12 0.9601 1.0222 1.0355 0.1033 0.0192 -0.0911 21 LEU k CA ? ? 1 +43310 C CB . LEU AD 12 0.9796 1.0291 1.0374 0.1104 0.0227 -0.0945 21 LEU k CB ? ? 1 +43311 C CG . LEU AD 12 0.9737 1.0327 1.0304 0.1133 0.0249 -0.0939 21 LEU k CG ? ? 1 +43312 C CD1 . LEU AD 12 0.9699 1.0328 1.0268 0.1047 0.0187 -0.0952 21 LEU k CD1 ? ? 1 +43313 C CD2 . LEU AD 12 0.9925 1.0379 1.0316 0.1210 0.0291 -0.0971 21 LEU k CD2 ? ? 1 +43314 C C . LEU AD 12 0.9403 1.0226 1.0328 0.1075 0.0232 -0.0858 21 LEU k C ? ? 1 +43315 O O . LEU AD 12 0.9229 1.0207 1.0255 0.1043 0.0220 -0.0836 21 LEU k O ? ? 1 +43316 N N . VAL AD 13 0.9393 1.0213 1.0349 0.1145 0.0278 -0.0840 22 VAL k N ? ? 1 +43317 C CA . VAL AD 13 0.9178 1.0185 1.0297 0.1188 0.0316 -0.0792 22 VAL k CA ? ? 1 +43318 C CB . VAL AD 13 0.9230 1.0194 1.0347 0.1277 0.0364 -0.0783 22 VAL k CB ? ? 1 +43319 C CG1 . VAL AD 13 0.9035 1.0193 1.0338 0.1307 0.0391 -0.0735 22 VAL k CG1 ? ? 1 +43320 C CG2 . VAL AD 13 0.9404 1.0269 1.0381 0.1364 0.0414 -0.0809 22 VAL k CG2 ? ? 1 +43321 C C . VAL AD 13 0.8950 1.0100 1.0236 0.1111 0.0276 -0.0760 22 VAL k C ? ? 1 +43322 O O . VAL AD 13 0.8735 1.0064 1.0154 0.1115 0.0291 -0.0725 22 VAL k O ? ? 1 +43323 N N . ASP AD 14 0.9003 1.0070 1.0280 0.1040 0.0228 -0.0772 23 ASP k N ? ? 1 +43324 C CA . ASP AD 14 0.8838 1.0022 1.0262 0.0962 0.0189 -0.0746 23 ASP k CA ? ? 1 +43325 C CB . ASP AD 14 0.8972 1.0022 1.0351 0.0893 0.0146 -0.0767 23 ASP k CB ? ? 1 +43326 C CG . ASP AD 14 0.9143 1.0090 1.0498 0.0933 0.0168 -0.0761 23 ASP k CG ? ? 1 +43327 O OD1 . ASP AD 14 0.9254 1.0213 1.0606 0.1025 0.0216 -0.0746 23 ASP k OD1 ? ? 1 +43328 O OD2 . ASP AD 14 0.9288 1.0141 1.0623 0.0873 0.0137 -0.0771 23 ASP k OD2 ? ? 1 +43329 C C . ASP AD 14 0.8677 0.9986 1.0163 0.0902 0.0156 -0.0741 23 ASP k C ? ? 1 +43330 O O . ASP AD 14 0.8517 0.9974 1.0152 0.0860 0.0139 -0.0709 23 ASP k O ? ? 1 +43331 N N . VAL AD 15 0.8784 1.0026 1.0150 0.0899 0.0146 -0.0773 24 VAL k N ? ? 1 +43332 C CA . VAL AD 15 0.8689 1.0024 1.0088 0.0842 0.0109 -0.0774 24 VAL k CA ? ? 1 +43333 C CB . VAL AD 15 0.8910 1.0093 1.0161 0.0792 0.0061 -0.0826 24 VAL k CB ? ? 1 +43334 C CG1 . VAL AD 15 0.9109 1.0195 1.0198 0.0851 0.0087 -0.0854 24 VAL k CG1 ? ? 1 +43335 C CG2 . VAL AD 15 0.8886 1.0157 1.0205 0.0705 0.0000 -0.0828 24 VAL k CG2 ? ? 1 +43336 C C . VAL AD 15 0.8587 1.0040 1.0011 0.0895 0.0148 -0.0753 24 VAL k C ? ? 1 +43337 O O . VAL AD 15 0.8425 0.9994 0.9918 0.0855 0.0125 -0.0738 24 VAL k O ? ? 1 +43338 N N . LEU AD 16 0.8637 1.0061 1.0008 0.0984 0.0210 -0.0750 25 LEU k N ? ? 1 +43339 C CA . LEU AD 16 0.8594 1.0108 0.9967 0.1035 0.0254 -0.0735 25 LEU k CA ? ? 1 +43340 C CB . LEU AD 16 0.8739 1.0204 1.0052 0.1136 0.0324 -0.0737 25 LEU k CB ? ? 1 +43341 C CG . LEU AD 16 0.9009 1.0269 1.0124 0.1173 0.0334 -0.0783 25 LEU k CG ? ? 1 +43342 C CD1 . LEU AD 16 0.9095 1.0356 1.0146 0.1266 0.0405 -0.0784 25 LEU k CD1 ? ? 1 +43343 C CD2 . LEU AD 16 0.9131 1.0280 1.0120 0.1111 0.0277 -0.0822 25 LEU k CD2 ? ? 1 +43344 C C . LEU AD 16 0.8351 1.0073 0.9901 0.1020 0.0262 -0.0689 25 LEU k C ? ? 1 +43345 O O . LEU AD 16 0.8290 1.0085 0.9842 0.1014 0.0266 -0.0681 25 LEU k O ? ? 1 +43346 N N . PRO AD 17 0.8243 1.0063 0.9942 0.1016 0.0268 -0.0656 26 PRO k N ? ? 1 +43347 C CA . PRO AD 17 0.8066 1.0083 0.9934 0.1005 0.0278 -0.0612 26 PRO k CA ? ? 1 +43348 C CB . PRO AD 17 0.7930 0.9993 0.9919 0.0996 0.0271 -0.0590 26 PRO k CB ? ? 1 +43349 C CG . PRO AD 17 0.8074 0.9977 0.9955 0.1043 0.0288 -0.0615 26 PRO k CG ? ? 1 +43350 C CD . PRO AD 17 0.8271 1.0012 0.9975 0.1026 0.0265 -0.0660 26 PRO k CD ? ? 1 +43351 C C . PRO AD 17 0.7982 1.0081 0.9895 0.0931 0.0230 -0.0606 26 PRO k C ? ? 1 +43352 O O . PRO AD 17 0.7861 1.0101 0.9867 0.0934 0.0249 -0.0575 26 PRO k O ? ? 1 +43353 N N . VAL AD 18 0.8048 1.0055 0.9895 0.0865 0.0169 -0.0635 27 VAL k N ? ? 1 +43354 C CA . VAL AD 18 0.7986 1.0059 0.9870 0.0794 0.0116 -0.0634 27 VAL k CA ? ? 1 +43355 C CB . VAL AD 18 0.8141 1.0112 0.9983 0.0719 0.0050 -0.0667 27 VAL k CB ? ? 1 +43356 C CG1 . VAL AD 18 0.8120 1.0140 0.9978 0.0648 -0.0011 -0.0676 27 VAL k CG1 ? ? 1 +43357 C CG2 . VAL AD 18 0.8071 1.0060 1.0018 0.0694 0.0043 -0.0651 27 VAL k CG2 ? ? 1 +43358 C C . VAL AD 18 0.7995 1.0064 0.9786 0.0809 0.0121 -0.0645 27 VAL k C ? ? 1 +43359 O O . VAL AD 18 0.7883 1.0047 0.9728 0.0770 0.0093 -0.0631 27 VAL k O ? ? 1 +43360 N N . ILE AD 19 0.8151 1.0107 0.9796 0.0868 0.0158 -0.0669 28 ILE k N ? ? 1 +43361 C CA . ILE AD 19 0.8246 1.0161 0.9768 0.0881 0.0157 -0.0686 28 ILE k CA ? ? 1 +43362 C CB . ILE AD 19 0.8450 1.0224 0.9809 0.0953 0.0205 -0.0714 28 ILE k CB ? ? 1 +43363 C CG1 . ILE AD 19 0.8602 1.0202 0.9851 0.0935 0.0171 -0.0758 28 ILE k CG1 ? ? 1 +43364 C CG2 . ILE AD 19 0.8584 1.0327 0.9819 0.0976 0.0218 -0.0726 28 ILE k CG2 ? ? 1 +43365 C CD1 . ILE AD 19 0.8815 1.0267 0.9906 0.1009 0.0219 -0.0787 28 ILE k CD1 ? ? 1 +43366 C C . ILE AD 19 0.8126 1.0191 0.9727 0.0889 0.0181 -0.0650 28 ILE k C ? ? 1 +43367 O O . ILE AD 19 0.8179 1.0242 0.9721 0.0863 0.0150 -0.0658 28 ILE k O ? ? 1 +43368 N N . PRO AD 20 0.7977 1.0171 0.9707 0.0924 0.0235 -0.0609 29 PRO k N ? ? 1 +43369 C CA . PRO AD 20 0.7812 1.0151 0.9628 0.0923 0.0255 -0.0573 29 PRO k CA ? ? 1 +43370 C CB . PRO AD 20 0.7708 1.0165 0.9670 0.0961 0.0311 -0.0537 29 PRO k CB ? ? 1 +43371 C CG . PRO AD 20 0.7859 1.0205 0.9750 0.1016 0.0343 -0.0559 29 PRO k CG ? ? 1 +43372 C CD . PRO AD 20 0.7967 1.0171 0.9761 0.0971 0.0280 -0.0597 29 PRO k CD ? ? 1 +43373 C C . PRO AD 20 0.7652 1.0070 0.9544 0.0847 0.0190 -0.0562 29 PRO k C ? ? 1 +43374 O O . PRO AD 20 0.7583 1.0046 0.9455 0.0839 0.0185 -0.0552 29 PRO k O ? ? 1 +43375 N N . VAL AD 21 0.7585 1.0016 0.9559 0.0793 0.0140 -0.0564 30 VAL k N ? ? 1 +43376 C CA . VAL AD 21 0.7472 0.9971 0.9519 0.0720 0.0074 -0.0559 30 VAL k CA ? ? 1 +43377 C CB . VAL AD 21 0.7409 0.9921 0.9558 0.0669 0.0036 -0.0560 30 VAL k CB ? ? 1 +43378 C CG1 . VAL AD 21 0.7362 0.9917 0.9562 0.0590 -0.0038 -0.0566 30 VAL k CG1 ? ? 1 +43379 C CG2 . VAL AD 21 0.7247 0.9877 0.9550 0.0691 0.0079 -0.0519 30 VAL k CG2 ? ? 1 +43380 C C . VAL AD 21 0.7598 1.0005 0.9509 0.0691 0.0022 -0.0595 30 VAL k C ? ? 1 +43381 O O . VAL AD 21 0.7584 1.0058 0.9528 0.0651 -0.0019 -0.0588 30 VAL k O ? ? 1 +43382 N N . LEU AD 22 0.7743 0.9993 0.9499 0.0711 0.0020 -0.0636 31 LEU k N ? ? 1 +43383 C CA . LEU AD 22 0.7833 0.9982 0.9447 0.0687 -0.0032 -0.0676 31 LEU k CA ? ? 1 +43384 C CB . LEU AD 22 0.8022 0.9991 0.9484 0.0706 -0.0032 -0.0722 31 LEU k CB ? ? 1 +43385 C CG . LEU AD 22 0.7989 0.9901 0.9492 0.0666 -0.0060 -0.0740 31 LEU k CG ? ? 1 +43386 C CD1 . LEU AD 22 0.8192 0.9915 0.9524 0.0679 -0.0068 -0.0790 31 LEU k CD1 ? ? 1 +43387 C CD2 . LEU AD 22 0.7886 0.9861 0.9488 0.0580 -0.0134 -0.0744 31 LEU k CD2 ? ? 1 +43388 C C . LEU AD 22 0.7859 1.0029 0.9396 0.0720 -0.0012 -0.0666 31 LEU k C ? ? 1 +43389 O O . LEU AD 22 0.7905 1.0050 0.9375 0.0689 -0.0066 -0.0685 31 LEU k O ? ? 1 +43390 N N . PHE AD 23 0.7826 1.0041 0.9374 0.0782 0.0065 -0.0637 32 PHE k N ? ? 1 +43391 C CA . PHE AD 23 0.7841 1.0081 0.9324 0.0814 0.0094 -0.0623 32 PHE k CA ? ? 1 +43392 C CB . PHE AD 23 0.7846 1.0118 0.9337 0.0886 0.0190 -0.0597 32 PHE k CB ? ? 1 +43393 C CG . PHE AD 23 0.8083 1.0206 0.9404 0.0943 0.0228 -0.0630 32 PHE k CG ? ? 1 +43394 C CD1 . PHE AD 23 0.8146 1.0190 0.9452 0.0963 0.0240 -0.0651 32 PHE k CD1 ? ? 1 +43395 C CD2 . PHE AD 23 0.8266 1.0318 0.9433 0.0976 0.0250 -0.0642 32 PHE k CD2 ? ? 1 +43396 C CE1 . PHE AD 23 0.8339 1.0242 0.9485 0.1017 0.0275 -0.0683 32 PHE k CE1 ? ? 1 +43397 C CE2 . PHE AD 23 0.8461 1.0372 0.9467 0.1029 0.0285 -0.0674 32 PHE k CE2 ? ? 1 +43398 C CZ . PHE AD 23 0.8503 1.0342 0.9502 0.1050 0.0298 -0.0695 32 PHE k CZ ? ? 1 +43399 C C . PHE AD 23 0.7662 1.0033 0.9251 0.0770 0.0060 -0.0592 32 PHE k C ? ? 1 +43400 O O . PHE AD 23 0.7714 1.0068 0.9217 0.0767 0.0038 -0.0597 32 PHE k O ? ? 1 +43401 N N . LEU AD 24 0.7457 0.9954 0.9225 0.0739 0.0054 -0.0562 33 LEU k N ? ? 1 +43402 C CA . LEU AD 24 0.7325 0.9946 0.9202 0.0696 0.0019 -0.0534 33 LEU k CA ? ? 1 +43403 C CB . LEU AD 24 0.7115 0.9870 0.9191 0.0674 0.0031 -0.0499 33 LEU k CB ? ? 1 +43404 C CG . LEU AD 24 0.6963 0.9845 0.9163 0.0622 -0.0013 -0.0473 33 LEU k CG ? ? 1 +43405 C CD1 . LEU AD 24 0.6948 0.9896 0.9142 0.0648 0.0023 -0.0442 33 LEU k CD1 ? ? 1 +43406 C CD2 . LEU AD 24 0.6777 0.9766 0.9157 0.0594 -0.0013 -0.0448 33 LEU k CD2 ? ? 1 +43407 C C . LEU AD 24 0.7380 0.9959 0.9213 0.0637 -0.0072 -0.0566 33 LEU k C ? ? 1 +43408 O O . LEU AD 24 0.7368 0.9984 0.9184 0.0621 -0.0104 -0.0559 33 LEU k O ? ? 1 +43409 N N . ALA AD 25 0.7432 0.9934 0.9249 0.0605 -0.0113 -0.0601 34 ALA k N ? ? 1 +43410 C CA . ALA AD 25 0.7473 0.9927 0.9246 0.0549 -0.0199 -0.0638 34 ALA k CA ? ? 1 +43411 C CB . ALA AD 25 0.7507 0.9888 0.9290 0.0513 -0.0227 -0.0670 34 ALA k CB ? ? 1 +43412 C C . ALA AD 25 0.7647 0.9992 0.9233 0.0570 -0.0220 -0.0670 34 ALA k C ? ? 1 +43413 O O . ALA AD 25 0.7674 1.0029 0.9235 0.0535 -0.0285 -0.0685 34 ALA k O ? ? 1 +43414 N N . LEU AD 26 0.7771 1.0012 0.9223 0.0629 -0.0166 -0.0681 35 LEU k N ? ? 1 +43415 C CA . LEU AD 26 0.7963 1.0089 0.9224 0.0655 -0.0179 -0.0712 35 LEU k CA ? ? 1 +43416 C CB . LEU AD 26 0.8101 1.0112 0.9233 0.0723 -0.0108 -0.0724 35 LEU k CB ? ? 1 +43417 C CG . LEU AD 26 0.8320 1.0187 0.9234 0.0752 -0.0119 -0.0762 35 LEU k CG ? ? 1 +43418 C CD1 . LEU AD 26 0.8446 1.0212 0.9283 0.0703 -0.0205 -0.0816 35 LEU k CD1 ? ? 1 +43419 C CD2 . LEU AD 26 0.8437 1.0206 0.9238 0.0822 -0.0041 -0.0768 35 LEU k CD2 ? ? 1 +43420 C C . LEU AD 26 0.7972 1.0166 0.9217 0.0667 -0.0179 -0.0685 35 LEU k C ? ? 1 +43421 O O . LEU AD 26 0.8118 1.0247 0.9239 0.0662 -0.0228 -0.0711 35 LEU k O ? ? 1 +43422 N N . ALA AD 27 0.7834 1.0154 0.9201 0.0683 -0.0126 -0.0634 36 ALA k N ? ? 1 +43423 C CA . ALA AD 27 0.7785 1.0173 0.9146 0.0693 -0.0121 -0.0604 36 ALA k CA ? ? 1 +43424 C CB . ALA AD 27 0.7600 1.0127 0.9114 0.0708 -0.0056 -0.0549 36 ALA k CB ? ? 1 +43425 C C . ALA AD 27 0.7736 1.0159 0.9121 0.0638 -0.0214 -0.0616 36 ALA k C ? ? 1 +43426 O O . ALA AD 27 0.7814 1.0213 0.9100 0.0649 -0.0238 -0.0618 36 ALA k O ? ? 1 +43427 N N . PHE AD 28 0.7635 1.0113 0.9147 0.0582 -0.0267 -0.0626 37 PHE k N ? ? 1 +43428 C CA . PHE AD 28 0.7612 1.0133 0.9165 0.0527 -0.0356 -0.0640 37 PHE k CA ? ? 1 +43429 C CB . PHE AD 28 0.7437 1.0059 0.9179 0.0470 -0.0385 -0.0633 37 PHE k CB ? ? 1 +43430 C CG . PHE AD 28 0.7254 1.0022 0.9153 0.0473 -0.0343 -0.0577 37 PHE k CG ? ? 1 +43431 C CD1 . PHE AD 28 0.7229 1.0026 0.9178 0.0512 -0.0259 -0.0545 37 PHE k CD1 ? ? 1 +43432 C CD2 . PHE AD 28 0.7144 1.0019 0.9136 0.0440 -0.0388 -0.0558 37 PHE k CD2 ? ? 1 +43433 C CE1 . PHE AD 28 0.7062 0.9994 0.9155 0.0513 -0.0222 -0.0496 37 PHE k CE1 ? ? 1 +43434 C CE2 . PHE AD 28 0.6988 0.9992 0.9120 0.0443 -0.0349 -0.0508 37 PHE k CE2 ? ? 1 +43435 C CZ . PHE AD 28 0.6950 0.9981 0.9131 0.0478 -0.0267 -0.0477 37 PHE k CZ ? ? 1 +43436 C C . PHE AD 28 0.7806 1.0202 0.9206 0.0513 -0.0426 -0.0698 37 PHE k C ? ? 1 +43437 O O . PHE AD 28 0.7892 1.0300 0.9256 0.0495 -0.0489 -0.0709 37 PHE k O ? ? 1 +43438 N N . VAL AD 29 0.7921 1.0194 0.9229 0.0522 -0.0415 -0.0734 38 VAL k N ? ? 1 +43439 C CA . VAL AD 29 0.8100 1.0240 0.9246 0.0514 -0.0473 -0.0790 38 VAL k CA ? ? 1 +43440 C CB . VAL AD 29 0.8207 1.0213 0.9268 0.0523 -0.0452 -0.0827 38 VAL k CB ? ? 1 +43441 C CG1 . VAL AD 29 0.8415 1.0281 0.9302 0.0513 -0.0515 -0.0887 38 VAL k CG1 ? ? 1 +43442 C CG2 . VAL AD 29 0.8083 1.0133 0.9293 0.0476 -0.0457 -0.0827 38 VAL k CG2 ? ? 1 +43443 C C . VAL AD 29 0.8248 1.0328 0.9228 0.0564 -0.0463 -0.0789 38 VAL k C ? ? 1 +43444 O O . VAL AD 29 0.8397 1.0443 0.9293 0.0549 -0.0534 -0.0817 38 VAL k O ? ? 1 +43445 N N . TRP AD 30 0.8238 1.0302 0.9169 0.0625 -0.0374 -0.0758 39 TRP k N ? ? 1 +43446 C CA . TRP AD 30 0.8340 1.0348 0.9116 0.0676 -0.0348 -0.0750 39 TRP k CA ? ? 1 +43447 C CB . TRP AD 30 0.8333 1.0341 0.9097 0.0736 -0.0238 -0.0715 39 TRP k CB ? ? 1 +43448 C CG . TRP AD 30 0.8429 1.0411 0.9071 0.0785 -0.0196 -0.0693 39 TRP k CG ? ? 1 +43449 C CD1 . TRP AD 30 0.8641 1.0498 0.9077 0.0813 -0.0217 -0.0721 39 TRP k CD1 ? ? 1 +43450 N NE1 . TRP AD 30 0.8680 1.0548 0.9052 0.0856 -0.0159 -0.0685 39 TRP k NE1 ? ? 1 +43451 C CE2 . TRP AD 30 0.8495 1.0498 0.9037 0.0856 -0.0099 -0.0634 39 TRP k CE2 ? ? 1 +43452 C CZ2 . TRP AD 30 0.8454 1.0517 0.9012 0.0887 -0.0026 -0.0586 39 TRP k CZ2 ? ? 1 +43453 C CH2 . TRP AD 30 0.8239 1.0443 0.8992 0.0875 0.0021 -0.0543 39 TRP k CH2 ? ? 1 +43454 C CZ3 . TRP AD 30 0.8083 1.0365 0.9007 0.0836 -0.0004 -0.0547 39 TRP k CZ3 ? ? 1 +43455 C CE3 . TRP AD 30 0.8132 1.0350 0.9035 0.0804 -0.0074 -0.0593 39 TRP k CE3 ? ? 1 +43456 C CD2 . TRP AD 30 0.8338 1.0416 0.9051 0.0813 -0.0122 -0.0638 39 TRP k CD2 ? ? 1 +43457 C C . TRP AD 30 0.8246 1.0341 0.9055 0.0662 -0.0391 -0.0726 39 TRP k C ? ? 1 +43458 O O . TRP AD 30 0.8375 1.0402 0.9044 0.0671 -0.0439 -0.0748 39 TRP k O ? ? 1 +43459 N N . GLN AD 31 0.8025 1.0268 0.9015 0.0641 -0.0375 -0.0681 40 GLN k N ? ? 1 +43460 C CA . GLN AD 31 0.7942 1.0271 0.8971 0.0631 -0.0409 -0.0654 40 GLN k CA ? ? 1 +43461 C CB . GLN AD 31 0.7721 1.0207 0.8951 0.0616 -0.0369 -0.0600 40 GLN k CB ? ? 1 +43462 C CG . GLN AD 31 0.7706 1.0212 0.8928 0.0668 -0.0266 -0.0555 40 GLN k CG ? ? 1 +43463 C CD . GLN AD 31 0.7856 1.0302 0.8918 0.0709 -0.0249 -0.0545 40 GLN k CD ? ? 1 +43464 O OE1 . GLN AD 31 0.7854 1.0329 0.8900 0.0698 -0.0300 -0.0536 40 GLN k OE1 ? ? 1 +43465 N NE2 . GLN AD 31 0.8015 1.0371 0.8949 0.0761 -0.0177 -0.0545 40 GLN k NE2 ? ? 1 +43466 C C . GLN AD 31 0.7945 1.0275 0.8971 0.0583 -0.0521 -0.0692 40 GLN k C ? ? 1 +43467 O O . GLN AD 31 0.8016 1.0352 0.8981 0.0590 -0.0563 -0.0688 40 GLN k O ? ? 1 +43468 N N . ALA AD 32 0.7876 1.0203 0.8971 0.0535 -0.0569 -0.0728 41 ALA k N ? ? 1 +43469 C CA . ALA AD 32 0.7862 1.0189 0.8958 0.0486 -0.0675 -0.0770 41 ALA k CA ? ? 1 +43470 C CB . ALA AD 32 0.7790 1.0134 0.9001 0.0428 -0.0706 -0.0799 41 ALA k CB ? ? 1 +43471 C C . ALA AD 32 0.8072 1.0256 0.8950 0.0510 -0.0718 -0.0816 41 ALA k C ? ? 1 +43472 O O . ALA AD 32 0.8120 1.0309 0.8957 0.0496 -0.0798 -0.0837 41 ALA k O ? ? 1 +43473 N N . ALA AD 33 0.8187 1.0244 0.8925 0.0551 -0.0665 -0.0831 42 ALA k N ? ? 1 +43474 C CA . ALA AD 33 0.8414 1.0323 0.8932 0.0579 -0.0697 -0.0874 42 ALA k CA ? ? 1 +43475 C CB . ALA AD 33 0.8546 1.0327 0.8949 0.0615 -0.0632 -0.0892 42 ALA k CB ? ? 1 +43476 C C . ALA AD 33 0.8502 1.0395 0.8898 0.0626 -0.0692 -0.0852 42 ALA k C ? ? 1 +43477 O O . ALA AD 33 0.8679 1.0480 0.8916 0.0637 -0.0751 -0.0888 42 ALA k O ? ? 1 +43478 N N . VAL AD 34 0.8416 1.0391 0.8876 0.0654 -0.0622 -0.0792 43 VAL k N ? ? 1 +43479 C CA . VAL AD 34 0.8514 1.0473 0.8861 0.0696 -0.0613 -0.0766 43 VAL k CA ? ? 1 +43480 C CB . VAL AD 34 0.8546 1.0468 0.8822 0.0757 -0.0494 -0.0726 43 VAL k CB ? ? 1 +43481 C CG1 . VAL AD 34 0.8720 1.0501 0.8853 0.0788 -0.0453 -0.0761 43 VAL k CG1 ? ? 1 +43482 C CG2 . VAL AD 34 0.8315 1.0374 0.8790 0.0749 -0.0421 -0.0672 43 VAL k CG2 ? ? 1 +43483 C C . VAL AD 34 0.8393 1.0489 0.8873 0.0670 -0.0657 -0.0734 43 VAL k C ? ? 1 +43484 O O . VAL AD 34 0.8414 1.0524 0.8844 0.0703 -0.0631 -0.0697 43 VAL k O ? ? 1 +43485 N N . GLY AD 35 0.8276 1.0467 0.8921 0.0610 -0.0721 -0.0749 44 GLY k N ? ? 1 +43486 C CA . GLY AD 35 0.8163 1.0472 0.8923 0.0581 -0.0784 -0.0733 44 GLY k CA ? ? 1 +43487 C C . GLY AD 35 0.8019 1.0460 0.8935 0.0582 -0.0724 -0.0668 44 GLY k C ? ? 1 +43488 O O . GLY AD 35 0.7941 1.0464 0.8917 0.0573 -0.0764 -0.0648 44 GLY k O ? ? 1 +43489 N N . PHE AD 36 0.7996 1.0456 0.8977 0.0595 -0.0630 -0.0639 45 PHE k N ? ? 1 +43490 C CA . PHE AD 36 0.7846 1.0422 0.8967 0.0600 -0.0563 -0.0579 45 PHE k CA ? ? 1 +43491 C CB . PHE AD 36 0.7679 1.0397 0.9015 0.0543 -0.0608 -0.0570 45 PHE k CB ? ? 1 +43492 C CG . PHE AD 36 0.7671 1.0407 0.9116 0.0502 -0.0614 -0.0595 45 PHE k CG ? ? 1 +43493 C CD1 . PHE AD 36 0.7619 1.0383 0.9149 0.0510 -0.0532 -0.0570 45 PHE k CD1 ? ? 1 +43494 C CD2 . PHE AD 36 0.7721 1.0445 0.9185 0.0456 -0.0701 -0.0644 45 PHE k CD2 ? ? 1 +43495 C CE1 . PHE AD 36 0.7576 1.0348 0.9198 0.0475 -0.0538 -0.0592 45 PHE k CE1 ? ? 1 +43496 C CE2 . PHE AD 36 0.7661 1.0393 0.9220 0.0416 -0.0703 -0.0666 45 PHE k CE2 ? ? 1 +43497 C CZ . PHE AD 36 0.7601 1.0353 0.9235 0.0427 -0.0622 -0.0639 45 PHE k CZ ? ? 1 +43498 C C . PHE AD 36 0.7896 1.0467 0.8927 0.0639 -0.0543 -0.0543 45 PHE k C ? ? 1 +43499 O O . PHE AD 36 0.7778 1.0455 0.8921 0.0627 -0.0544 -0.0505 45 PHE k O ? ? 1 +43500 N N . ARG AD 37 0.8103 1.0544 0.8926 0.0686 -0.0523 -0.0555 46 ARG k N ? ? 1 +43501 C CA . ARG AD 37 0.8215 1.0626 0.8922 0.0725 -0.0507 -0.0525 46 ARG k CA ? ? 1 +43502 C CB . ARG AD 37 0.8471 1.0717 0.8929 0.0769 -0.0508 -0.0556 46 ARG k CB ? ? 1 +43503 C CG . ARG AD 37 0.8565 1.0732 0.8948 0.0804 -0.0412 -0.0556 46 ARG k CG ? ? 1 +43504 C CD . ARG AD 37 0.8825 1.0824 0.8969 0.0841 -0.0426 -0.0597 46 ARG k CD ? ? 1 +43505 N NE . ARG AD 37 0.8892 1.0819 0.8981 0.0869 -0.0342 -0.0606 46 ARG k NE ? ? 1 +43506 C CZ . ARG AD 37 0.9108 1.0887 0.8999 0.0903 -0.0338 -0.0643 46 ARG k CZ ? ? 1 +43507 N NH1 . ARG AD 37 0.9301 1.0982 0.9024 0.0913 -0.0413 -0.0676 46 ARG k NH1 ? ? 1 +43508 N NH2 . ARG AD 37 0.9172 1.0898 0.9031 0.0931 -0.0255 -0.0646 46 ARG k NH2 ? ? 1 +43509 C C . ARG AD 37 0.8150 1.0625 0.8928 0.0746 -0.0400 -0.0465 46 ARG k C ? ? 1 +43510 O O . ARG AD 37 0.8098 1.0601 0.8958 0.0748 -0.0327 -0.0454 46 ARG k O ? ? 1 +43511 O OXT . ARG AD 37 0.8169 1.0667 0.8923 0.0762 -0.0388 -0.0429 46 ARG k OXT ? ? 1 +43512 N N . GLU AE 1 0.9906 1.6936 1.6684 0.0899 -0.1550 0.0097 2 GLU l N ? ? 1 +43513 C CA . GLU AE 1 1.0394 1.7383 1.7073 0.0934 -0.1612 0.0090 2 GLU l CA ? ? 1 +43514 C CB . GLU AE 1 1.0958 1.8102 1.7759 0.0937 -0.1678 0.0031 2 GLU l CB ? ? 1 +43515 C CG . GLU AE 1 1.1619 1.8904 1.8573 0.0969 -0.1706 -0.0007 2 GLU l CG ? ? 1 +43516 C CD . GLU AE 1 1.2123 1.9503 1.9229 0.0904 -0.1643 -0.0017 2 GLU l CD ? ? 1 +43517 O OE1 . GLU AE 1 1.1703 1.9125 1.8866 0.0828 -0.1609 -0.0026 2 GLU l OE1 ? ? 1 +43518 O OE2 . GLU AE 1 1.2853 2.0263 2.0017 0.0933 -0.1628 -0.0016 2 GLU l OE2 ? ? 1 +43519 C C . GLU AE 1 0.9879 1.6768 1.6454 0.0879 -0.1570 0.0119 2 GLU l C ? ? 1 +43520 O O . GLU AE 1 0.8871 1.5807 1.5520 0.0805 -0.1524 0.0114 2 GLU l O ? ? 1 +43521 N N . PRO AE 2 0.9592 1.6339 1.5991 0.0915 -0.1583 0.0150 3 PRO l N ? ? 1 +43522 C CA . PRO AE 2 0.8591 1.5243 1.4890 0.0866 -0.1541 0.0178 3 PRO l CA ? ? 1 +43523 C CB . PRO AE 2 0.8915 1.5398 1.5018 0.0923 -0.1549 0.0219 3 PRO l CB ? ? 1 +43524 C CG . PRO AE 2 0.9397 1.5883 1.5501 0.1003 -0.1590 0.0216 3 PRO l CG ? ? 1 +43525 C CD . PRO AE 2 0.9660 1.6326 1.5944 0.1005 -0.1636 0.0162 3 PRO l CD ? ? 1 +43526 C C . PRO AE 2 0.7636 1.4352 1.3963 0.0835 -0.1576 0.0143 3 PRO l C ? ? 1 +43527 O O . PRO AE 2 0.7704 1.4440 1.4001 0.0882 -0.1648 0.0118 3 PRO l O ? ? 1 +43528 N N . ASN AE 3 0.6594 1.3341 1.2978 0.0757 -0.1525 0.0142 4 ASN l N ? ? 1 +43529 C CA . ASN AE 3 0.5940 1.2759 1.2373 0.0719 -0.1551 0.0106 4 ASN l CA ? ? 1 +43530 C CB . ASN AE 3 0.5577 1.2465 1.2126 0.0634 -0.1491 0.0099 4 ASN l CB ? ? 1 +43531 C CG . ASN AE 3 0.5269 1.2250 1.1895 0.0592 -0.1518 0.0055 4 ASN l CG ? ? 1 +43532 O OD1 . ASN AE 3 0.5163 1.2094 1.1704 0.0586 -0.1537 0.0052 4 ASN l OD1 ? ? 1 +43533 N ND2 . ASN AE 3 0.5009 1.2123 1.1797 0.0559 -0.1517 0.0021 4 ASN l ND2 ? ? 1 +43534 C C . ASN AE 3 0.5738 1.2440 1.2008 0.0729 -0.1564 0.0123 4 ASN l C ? ? 1 +43535 O O . ASN AE 3 0.5726 1.2317 1.1897 0.0706 -0.1508 0.0163 4 ASN l O ? ? 1 +43536 N N . PRO AE 4 0.5453 1.2179 1.1692 0.0762 -0.1638 0.0091 5 PRO l N ? ? 1 +43537 C CA . PRO AE 4 0.5396 1.2006 1.1469 0.0777 -0.1653 0.0106 5 PRO l CA ? ? 1 +43538 C CB . PRO AE 4 0.5392 1.2051 1.1457 0.0838 -0.1751 0.0066 5 PRO l CB ? ? 1 +43539 C CG . PRO AE 4 0.5251 1.2087 1.1516 0.0814 -0.1777 0.0017 5 PRO l CG ? ? 1 +43540 C CD . PRO AE 4 0.5208 1.2076 1.1570 0.0784 -0.1710 0.0037 5 PRO l CD ? ? 1 +43541 C C . PRO AE 4 0.5185 1.1782 1.1249 0.0709 -0.1616 0.0104 5 PRO l C ? ? 1 +43542 O O . PRO AE 4 0.5169 1.1664 1.1092 0.0718 -0.1620 0.0118 5 PRO l O ? ? 1 +43543 N N . ASN AE 5 0.4933 1.1630 1.1140 0.0642 -0.1581 0.0084 6 ASN l N ? ? 1 +43544 C CA . ASN AE 5 0.4821 1.1521 1.1037 0.0577 -0.1551 0.0075 6 ASN l CA ? ? 1 +43545 C CB . ASN AE 5 0.4580 1.1430 1.0973 0.0527 -0.1561 0.0029 6 ASN l CB ? ? 1 +43546 C CG . ASN AE 5 0.4613 1.1566 1.1075 0.0563 -0.1646 -0.0021 6 ASN l CG ? ? 1 +43547 O OD1 . ASN AE 5 0.4518 1.1576 1.1105 0.0573 -0.1663 -0.0043 6 ASN l OD1 ? ? 1 +43548 N ND2 . ASN AE 5 0.4703 1.1631 1.1087 0.0583 -0.1703 -0.0042 6 ASN l ND2 ? ? 1 +43549 C C . ASN AE 5 0.4925 1.1539 1.1092 0.0533 -0.1464 0.0120 6 ASN l C ? ? 1 +43550 O O . ASN AE 5 0.4629 1.1232 1.0792 0.0482 -0.1431 0.0118 6 ASN l O ? ? 1 +43551 N N . ARG AE 6 0.5257 1.1812 1.1390 0.0553 -0.1425 0.0159 7 ARG l N ? ? 1 +43552 C CA . ARG AE 6 0.5765 1.2233 1.1842 0.0518 -0.1346 0.0202 7 ARG l CA ? ? 1 +43553 C CB . ARG AE 6 0.6548 1.2963 1.2601 0.0546 -0.1316 0.0238 7 ARG l CB ? ? 1 +43554 C CG . ARG AE 6 0.7258 1.3782 1.3468 0.0530 -0.1305 0.0223 7 ARG l CG ? ? 1 +43555 C CD . ARG AE 6 0.7960 1.4427 1.4157 0.0532 -0.1250 0.0262 7 ARG l CD ? ? 1 +43556 N NE . ARG AE 6 0.8612 1.5028 1.4790 0.0476 -0.1177 0.0290 7 ARG l NE ? ? 1 +43557 C CZ . ARG AE 6 0.8985 1.5340 1.5140 0.0467 -0.1123 0.0325 7 ARG l CZ ? ? 1 +43558 N NH1 . ARG AE 6 0.9368 1.5710 1.5527 0.0504 -0.1128 0.0336 7 ARG l NH1 ? ? 1 +43559 N NH2 . ARG AE 6 0.8674 1.4981 1.4802 0.0420 -0.1062 0.0348 7 ARG l NH2 ? ? 1 +43560 C C . ARG AE 6 0.5545 1.1896 1.1467 0.0522 -0.1338 0.0221 7 ARG l C ? ? 1 +43561 O O . ARG AE 6 0.5704 1.2004 1.1523 0.0571 -0.1390 0.0216 7 ARG l O ? ? 1 +43562 N N . GLN AE 7 0.5017 1.1330 1.0926 0.0470 -0.1271 0.0242 8 GLN l N ? ? 1 +43563 C CA . GLN AE 7 0.4813 1.1021 1.0588 0.0464 -0.1248 0.0261 8 GLN l CA ? ? 1 +43564 C CB . GLN AE 7 0.4973 1.1229 1.0778 0.0429 -0.1267 0.0226 8 GLN l CB ? ? 1 +43565 C CG . GLN AE 7 0.5181 1.1484 1.0984 0.0460 -0.1351 0.0184 8 GLN l CG ? ? 1 +43566 C CD . GLN AE 7 0.5482 1.1675 1.1115 0.0505 -0.1381 0.0194 8 GLN l CD ? ? 1 +43567 O OE1 . GLN AE 7 0.5736 1.1815 1.1247 0.0524 -0.1343 0.0235 8 GLN l OE1 ? ? 1 +43568 N NE2 . GLN AE 7 0.5712 1.1936 1.1331 0.0523 -0.1449 0.0156 8 GLN l NE2 ? ? 1 +43569 C C . GLN AE 7 0.4357 1.0510 1.0119 0.0424 -0.1163 0.0300 8 GLN l C ? ? 1 +43570 O O . GLN AE 7 0.4056 1.0278 0.9935 0.0380 -0.1127 0.0297 8 GLN l O ? ? 1 +43571 N N . PRO AE 8 0.4143 1.0172 0.9765 0.0436 -0.1127 0.0336 9 PRO l N ? ? 1 +43572 C CA . PRO AE 8 0.3962 0.9949 0.9580 0.0393 -0.1047 0.0368 9 PRO l CA ? ? 1 +43573 C CB . PRO AE 8 0.4145 0.9991 0.9595 0.0425 -0.1024 0.0405 9 PRO l CB ? ? 1 +43574 C CG . PRO AE 8 0.4334 1.0148 0.9688 0.0471 -0.1090 0.0387 9 PRO l CG ? ? 1 +43575 C CD . PRO AE 8 0.4317 1.0243 0.9781 0.0490 -0.1160 0.0348 9 PRO l CD ? ? 1 +43576 C C . PRO AE 8 0.3625 0.9648 0.9288 0.0340 -0.1019 0.0353 9 PRO l C ? ? 1 +43577 O O . PRO AE 8 0.3703 0.9728 0.9331 0.0343 -0.1052 0.0330 9 PRO l O ? ? 1 +43578 N N . VAL AE 9 0.3349 0.9399 0.9087 0.0294 -0.0960 0.0366 10 VAL l N ? ? 1 +43579 C CA . VAL AE 9 0.3178 0.9251 0.8953 0.0245 -0.0925 0.0358 10 VAL l CA ? ? 1 +43580 C CB . VAL AE 9 0.3039 0.9209 0.8964 0.0202 -0.0903 0.0347 10 VAL l CB ? ? 1 +43581 C CG1 . VAL AE 9 0.2978 0.9178 0.8944 0.0156 -0.0878 0.0332 10 VAL l CG1 ? ? 1 +43582 C CG2 . VAL AE 9 0.3031 0.9293 0.9053 0.0216 -0.0957 0.0317 10 VAL l CG2 ? ? 1 +43583 C C . VAL AE 9 0.3111 0.9090 0.8794 0.0234 -0.0862 0.0393 10 VAL l C ? ? 1 +43584 O O . VAL AE 9 0.3050 0.8974 0.8694 0.0244 -0.0828 0.0425 10 VAL l O ? ? 1 +43585 N N . GLU AE 10 0.3080 0.9042 0.8730 0.0213 -0.0845 0.0385 11 GLU l N ? ? 1 +43586 C CA . GLU AE 10 0.3083 0.8967 0.8654 0.0200 -0.0783 0.0414 11 GLU l CA ? ? 1 +43587 C CB . GLU AE 10 0.3274 0.9061 0.8691 0.0235 -0.0798 0.0421 11 GLU l CB ? ? 1 +43588 C CG . GLU AE 10 0.3350 0.9153 0.8747 0.0233 -0.0834 0.0388 11 GLU l CG ? ? 1 +43589 C CD . GLU AE 10 0.3537 0.9234 0.8776 0.0260 -0.0829 0.0398 11 GLU l CD ? ? 1 +43590 O OE1 . GLU AE 10 0.3643 0.9293 0.8792 0.0304 -0.0877 0.0396 11 GLU l OE1 ? ? 1 +43591 O OE2 . GLU AE 10 0.3570 0.9230 0.8773 0.0238 -0.0777 0.0409 11 GLU l OE2 ? ? 1 +43592 C C . GLU AE 10 0.2923 0.8847 0.8557 0.0154 -0.0746 0.0404 11 GLU l C ? ? 1 +43593 O O . GLU AE 10 0.2861 0.8847 0.8557 0.0137 -0.0774 0.0373 11 GLU l O ? ? 1 +43594 N N . LEU AE 11 0.2845 0.8732 0.8464 0.0134 -0.0681 0.0432 12 LEU l N ? ? 1 +43595 C CA . LEU AE 11 0.2744 0.8643 0.8388 0.0100 -0.0640 0.0428 12 LEU l CA ? ? 1 +43596 C CB . LEU AE 11 0.2644 0.8622 0.8420 0.0062 -0.0615 0.0425 12 LEU l CB ? ? 1 +43597 C CG . LEU AE 11 0.2653 0.8650 0.8460 0.0030 -0.0583 0.0416 12 LEU l CG ? ? 1 +43598 C CD1 . LEU AE 11 0.2648 0.8705 0.8515 0.0016 -0.0623 0.0380 12 LEU l CD1 ? ? 1 +43599 C CD2 . LEU AE 11 0.2581 0.8610 0.8467 0.0000 -0.0533 0.0431 12 LEU l CD2 ? ? 1 +43600 C C . LEU AE 11 0.2724 0.8537 0.8273 0.0103 -0.0583 0.0459 12 LEU l C ? ? 1 +43601 O O . LEU AE 11 0.2683 0.8480 0.8242 0.0099 -0.0547 0.0485 12 LEU l O ? ? 1 +43602 N N . ASN AE 12 0.2740 0.8498 0.8195 0.0112 -0.0576 0.0456 13 ASN l N ? ? 1 +43603 C CA . ASN AE 12 0.2797 0.8475 0.8160 0.0115 -0.0519 0.0484 13 ASN l CA ? ? 1 +43604 C CB . ASN AE 12 0.2920 0.8523 0.8152 0.0140 -0.0530 0.0478 13 ASN l CB ? ? 1 +43605 C CG . ASN AE 12 0.2905 0.8540 0.8157 0.0127 -0.0546 0.0447 13 ASN l CG ? ? 1 +43606 O OD1 . ASN AE 12 0.2831 0.8522 0.8171 0.0095 -0.0520 0.0439 13 ASN l OD1 ? ? 1 +43607 N ND2 . ASN AE 12 0.3011 0.8608 0.8175 0.0152 -0.0591 0.0429 13 ASN l ND2 ? ? 1 +43608 C C . ASN AE 12 0.2691 0.8404 0.8129 0.0077 -0.0458 0.0491 13 ASN l C ? ? 1 +43609 O O . ASN AE 12 0.2560 0.8351 0.8106 0.0051 -0.0464 0.0474 13 ASN l O ? ? 1 +43610 N N . ARG AE 13 0.2753 0.8407 0.8129 0.0075 -0.0399 0.0517 14 ARG l N ? ? 1 +43611 C CA . ARG AE 13 0.2661 0.8348 0.8106 0.0042 -0.0340 0.0525 14 ARG l CA ? ? 1 +43612 C CB . ARG AE 13 0.2787 0.8403 0.8158 0.0043 -0.0278 0.0556 14 ARG l CB ? ? 1 +43613 C CG . ARG AE 13 0.2758 0.8417 0.8216 0.0009 -0.0219 0.0566 14 ARG l CG ? ? 1 +43614 C CD . ARG AE 13 0.2888 0.8481 0.8274 0.0007 -0.0156 0.0591 14 ARG l CD ? ? 1 +43615 N NE . ARG AE 13 0.3037 0.8566 0.8360 0.0019 -0.0152 0.0615 14 ARG l NE ? ? 1 +43616 C CZ . ARG AE 13 0.3194 0.8651 0.8439 0.0018 -0.0097 0.0640 14 ARG l CZ ? ? 1 +43617 N NH1 . ARG AE 13 0.3239 0.8696 0.8486 0.0000 -0.0037 0.0645 14 ARG l NH1 ? ? 1 +43618 N NH2 . ARG AE 13 0.3325 0.8706 0.8489 0.0036 -0.0102 0.0661 14 ARG l NH2 ? ? 1 +43619 C C . ARG AE 13 0.2568 0.8288 0.8042 0.0028 -0.0333 0.0504 14 ARG l C ? ? 1 +43620 O O . ARG AE 13 0.2477 0.8260 0.8051 0.0001 -0.0312 0.0498 14 ARG l O ? ? 1 +43621 N N A THR AE 14 0.2636 0.8307 0.8015 0.0047 -0.0350 0.0492 15 THR l N ? ? 1 +43622 N N B THR AE 14 0.2641 0.8313 0.8021 0.0047 -0.0350 0.0491 15 THR l N ? ? 1 +43623 C CA A THR AE 14 0.2598 0.8290 0.7992 0.0037 -0.0347 0.0469 15 THR l CA ? ? 1 +43624 C CA B THR AE 14 0.2613 0.8305 0.8008 0.0037 -0.0346 0.0470 15 THR l CA ? ? 1 +43625 C C A THR AE 14 0.2472 0.8244 0.7973 0.0019 -0.0390 0.0443 15 THR l C ? ? 1 +43626 C C B THR AE 14 0.2474 0.8249 0.7980 0.0018 -0.0388 0.0444 15 THR l C ? ? 1 +43627 O O A THR AE 14 0.2399 0.8212 0.7962 -0.0002 -0.0373 0.0431 15 THR l O ? ? 1 +43628 O O B THR AE 14 0.2386 0.8205 0.7962 -0.0004 -0.0368 0.0434 15 THR l O ? ? 1 +43629 C CB A THR AE 14 0.2733 0.8351 0.7997 0.0064 -0.0364 0.0459 15 THR l CB ? ? 1 +43630 C CB B THR AE 14 0.2760 0.8382 0.8029 0.0062 -0.0364 0.0458 15 THR l CB ? ? 1 +43631 O OG1 A THR AE 14 0.2840 0.8380 0.8003 0.0078 -0.0316 0.0485 15 THR l OG1 ? ? 1 +43632 O OG1 B THR AE 14 0.2891 0.8434 0.8057 0.0077 -0.0317 0.0483 15 THR l OG1 ? ? 1 +43633 C CG2 A THR AE 14 0.2725 0.8357 0.7996 0.0055 -0.0365 0.0434 15 THR l CG2 ? ? 1 +43634 C CG2 B THR AE 14 0.2753 0.8391 0.8035 0.0052 -0.0363 0.0434 15 THR l CG2 ? ? 1 +43635 N N . SER AE 15 0.2452 0.8246 0.7972 0.0029 -0.0444 0.0433 16 SER l N ? ? 1 +43636 C CA . SER AE 15 0.2331 0.8202 0.7953 0.0011 -0.0485 0.0408 16 SER l CA ? ? 1 +43637 C CB . SER AE 15 0.2360 0.8240 0.7972 0.0031 -0.0547 0.0396 16 SER l CB ? ? 1 +43638 O OG . SER AE 15 0.2469 0.8290 0.7971 0.0058 -0.0578 0.0384 16 SER l OG ? ? 1 +43639 C C . SER AE 15 0.2165 0.8101 0.7905 -0.0017 -0.0457 0.0416 16 SER l C ? ? 1 +43640 O O . SER AE 15 0.2068 0.8057 0.7887 -0.0040 -0.0461 0.0399 16 SER l O ? ? 1 +43641 N N . LEU AE 16 0.2145 0.8071 0.7892 -0.0016 -0.0428 0.0443 17 LEU l N ? ? 1 +43642 C CA . LEU AE 16 0.2036 0.8016 0.7885 -0.0041 -0.0397 0.0453 17 LEU l CA ? ? 1 +43643 C CB . LEU AE 16 0.2065 0.8015 0.7897 -0.0036 -0.0369 0.0482 17 LEU l CB ? ? 1 +43644 C CG . LEU AE 16 0.1984 0.7982 0.7913 -0.0063 -0.0333 0.0493 17 LEU l CG ? ? 1 +43645 C CD1 . LEU AE 16 0.1900 0.7965 0.7924 -0.0072 -0.0368 0.0481 17 LEU l CD1 ? ? 1 +43646 C CD2 . LEU AE 16 0.2027 0.7979 0.7918 -0.0061 -0.0292 0.0523 17 LEU l CD2 ? ? 1 +43647 C C . LEU AE 16 0.1989 0.7983 0.7866 -0.0061 -0.0354 0.0451 17 LEU l C ? ? 1 +43648 O O . LEU AE 16 0.1877 0.7928 0.7844 -0.0083 -0.0353 0.0440 17 LEU l O ? ? 1 +43649 N N . TYR AE 17 0.2073 0.8012 0.7871 -0.0051 -0.0318 0.0461 18 TYR l N ? ? 1 +43650 C CA . TYR AE 17 0.2061 0.8011 0.7880 -0.0064 -0.0275 0.0460 18 TYR l CA ? ? 1 +43651 C CB . TYR AE 17 0.2188 0.8069 0.7906 -0.0049 -0.0235 0.0473 18 TYR l CB ? ? 1 +43652 C CG . TYR AE 17 0.2253 0.8107 0.7951 -0.0050 -0.0191 0.0502 18 TYR l CG ? ? 1 +43653 C CD1 . TYR AE 17 0.2195 0.8098 0.7985 -0.0070 -0.0173 0.0513 18 TYR l CD1 ? ? 1 +43654 C CD2 . TYR AE 17 0.2392 0.8169 0.7978 -0.0031 -0.0166 0.0517 18 TYR l CD2 ? ? 1 +43655 C CE1 . TYR AE 17 0.2231 0.8107 0.8005 -0.0075 -0.0131 0.0538 18 TYR l CE1 ? ? 1 +43656 C CE2 . TYR AE 17 0.2432 0.8180 0.7999 -0.0036 -0.0122 0.0544 18 TYR l CE2 ? ? 1 +43657 C CZ . TYR AE 17 0.2351 0.8149 0.8014 -0.0059 -0.0105 0.0553 18 TYR l CZ ? ? 1 +43658 O OH . TYR AE 17 0.2407 0.8174 0.8053 -0.0067 -0.0060 0.0578 18 TYR l OH ? ? 1 +43659 C C . TYR AE 17 0.2010 0.7985 0.7854 -0.0071 -0.0301 0.0432 18 TYR l C ? ? 1 +43660 O O . TYR AE 17 0.1945 0.7963 0.7862 -0.0089 -0.0285 0.0426 18 TYR l O ? ? 1 +43661 N N A LEU AE 18 0.2066 0.8009 0.7844 -0.0056 -0.0341 0.0414 19 LEU l N ? ? 1 +43662 N N B LEU AE 18 0.2069 0.8012 0.7848 -0.0056 -0.0341 0.0415 19 LEU l N ? ? 1 +43663 C CA A LEU AE 18 0.2033 0.7993 0.7829 -0.0065 -0.0370 0.0386 19 LEU l CA ? ? 1 +43664 C CA B LEU AE 18 0.2037 0.7997 0.7833 -0.0065 -0.0370 0.0386 19 LEU l CA ? ? 1 +43665 C C A LEU AE 18 0.1912 0.7943 0.7819 -0.0088 -0.0393 0.0374 19 LEU l C ? ? 1 +43666 C C B LEU AE 18 0.1911 0.7943 0.7820 -0.0089 -0.0391 0.0375 19 LEU l C ? ? 1 +43667 O O A LEU AE 18 0.1860 0.7917 0.7815 -0.0105 -0.0389 0.0360 19 LEU l O ? ? 1 +43668 O O B LEU AE 18 0.1854 0.7912 0.7811 -0.0106 -0.0385 0.0362 19 LEU l O ? ? 1 +43669 C CB A LEU AE 18 0.2126 0.8043 0.7837 -0.0046 -0.0415 0.0369 19 LEU l CB ? ? 1 +43670 C CB B LEU AE 18 0.2130 0.8049 0.7843 -0.0046 -0.0416 0.0368 19 LEU l CB ? ? 1 +43671 C CG A LEU AE 18 0.2241 0.8081 0.7831 -0.0024 -0.0395 0.0373 19 LEU l CG ? ? 1 +43672 C CG B LEU AE 18 0.2246 0.8089 0.7841 -0.0025 -0.0397 0.0371 19 LEU l CG ? ? 1 +43673 C CD1 A LEU AE 18 0.2339 0.8135 0.7841 -0.0001 -0.0445 0.0359 19 LEU l CD1 ? ? 1 +43674 C CD1 B LEU AE 18 0.2345 0.8146 0.7853 -0.0003 -0.0449 0.0355 19 LEU l CD1 ? ? 1 +43675 C CD2 A LEU AE 18 0.2240 0.8071 0.7825 -0.0032 -0.0372 0.0358 19 LEU l CD2 ? ? 1 +43676 C CD2 B LEU AE 18 0.2242 0.8080 0.7837 -0.0034 -0.0373 0.0357 19 LEU l CD2 ? ? 1 +43677 N N . GLY AE 19 0.1872 0.7930 0.7816 -0.0088 -0.0415 0.0381 20 GLY l N ? ? 1 +43678 C CA . GLY AE 19 0.1759 0.7883 0.7805 -0.0108 -0.0436 0.0371 20 GLY l CA ? ? 1 +43679 C C . GLY AE 19 0.1645 0.7806 0.7767 -0.0128 -0.0396 0.0382 20 GLY l C ? ? 1 +43680 O O . GLY AE 19 0.1576 0.7772 0.7758 -0.0147 -0.0400 0.0368 20 GLY l O ? ? 1 +43681 N N . LEU AE 20 0.1622 0.7771 0.7737 -0.0123 -0.0359 0.0407 21 LEU l N ? ? 1 +43682 C CA . LEU AE 20 0.1521 0.7705 0.7707 -0.0141 -0.0323 0.0417 21 LEU l CA ? ? 1 +43683 C CB . LEU AE 20 0.1536 0.7703 0.7708 -0.0136 -0.0286 0.0443 21 LEU l CB ? ? 1 +43684 C CG . LEU AE 20 0.1525 0.7698 0.7714 -0.0134 -0.0300 0.0455 21 LEU l CG ? ? 1 +43685 C CD1 . LEU AE 20 0.1557 0.7702 0.7722 -0.0132 -0.0259 0.0481 21 LEU l CD1 ? ? 1 +43686 C CD2 . LEU AE 20 0.1426 0.7661 0.7713 -0.0152 -0.0315 0.0448 21 LEU l CD2 ? ? 1 +43687 C C . LEU AE 20 0.1488 0.7672 0.7677 -0.0147 -0.0302 0.0407 21 LEU l C ? ? 1 +43688 O O . LEU AE 20 0.1417 0.7640 0.7675 -0.0162 -0.0295 0.0402 21 LEU l O ? ? 1 +43689 N N . LEU AE 21 0.1549 0.7684 0.7658 -0.0132 -0.0293 0.0403 22 LEU l N ? ? 1 +43690 C CA . LEU AE 21 0.1548 0.7676 0.7651 -0.0133 -0.0274 0.0392 22 LEU l CA ? ? 1 +43691 C CB . LEU AE 21 0.1668 0.7734 0.7670 -0.0113 -0.0264 0.0389 22 LEU l CB ? ? 1 +43692 C CG . LEU AE 21 0.1707 0.7760 0.7695 -0.0110 -0.0239 0.0379 22 LEU l CG ? ? 1 +43693 C CD1 . LEU AE 21 0.1659 0.7744 0.7702 -0.0113 -0.0191 0.0394 22 LEU l CD1 ? ? 1 +43694 C CD2 . LEU AE 21 0.1827 0.7814 0.7707 -0.0089 -0.0232 0.0375 22 LEU l CD2 ? ? 1 +43695 C C . LEU AE 21 0.1489 0.7638 0.7630 -0.0148 -0.0305 0.0368 22 LEU l C ? ? 1 +43696 O O . LEU AE 21 0.1426 0.7596 0.7613 -0.0158 -0.0290 0.0364 22 LEU l O ? ? 1 +43697 N N . LEU AE 22 0.1508 0.7649 0.7628 -0.0148 -0.0348 0.0353 23 LEU l N ? ? 1 +43698 C CA . LEU AE 22 0.1458 0.7619 0.7615 -0.0166 -0.0379 0.0329 23 LEU l CA ? ? 1 +43699 C CB . LEU AE 22 0.1501 0.7658 0.7632 -0.0163 -0.0427 0.0313 23 LEU l CB ? ? 1 +43700 C CG . LEU AE 22 0.1474 0.7659 0.7652 -0.0186 -0.0459 0.0286 23 LEU l CG ? ? 1 +43701 C CD1 . LEU AE 22 0.1522 0.7668 0.7659 -0.0191 -0.0454 0.0268 23 LEU l CD1 ? ? 1 +43702 C CD2 . LEU AE 22 0.1501 0.7701 0.7676 -0.0183 -0.0506 0.0271 23 LEU l CD2 ? ? 1 +43703 C C . LEU AE 22 0.1346 0.7562 0.7599 -0.0187 -0.0374 0.0332 23 LEU l C ? ? 1 +43704 O O . LEU AE 22 0.1315 0.7539 0.7599 -0.0200 -0.0367 0.0322 23 LEU l O ? ? 1 +43705 N N . ILE AE 23 0.1296 0.7545 0.7591 -0.0188 -0.0377 0.0346 24 ILE l N ? ? 1 +43706 C CA . ILE AE 23 0.1212 0.7511 0.7593 -0.0206 -0.0374 0.0349 24 ILE l CA ? ? 1 +43707 C CB . ILE AE 23 0.1188 0.7512 0.7599 -0.0202 -0.0381 0.0363 24 ILE l CB ? ? 1 +43708 C CG1 . ILE AE 23 0.1232 0.7556 0.7623 -0.0194 -0.0424 0.0352 24 ILE l CG1 ? ? 1 +43709 C CG2 . ILE AE 23 0.1105 0.7476 0.7599 -0.0220 -0.0374 0.0367 24 ILE l CG2 ? ? 1 +43710 C CD1 . ILE AE 23 0.1225 0.7571 0.7644 -0.0211 -0.0457 0.0324 24 ILE l CD1 ? ? 1 +43711 C C . ILE AE 23 0.1186 0.7491 0.7594 -0.0210 -0.0337 0.0359 24 ILE l C ? ? 1 +43712 O O . ILE AE 23 0.1136 0.7459 0.7588 -0.0225 -0.0335 0.0350 24 ILE l O ? ? 1 +43713 N N . LEU AE 24 0.1218 0.7507 0.7599 -0.0196 -0.0306 0.0376 25 LEU l N ? ? 1 +43714 C CA . LEU AE 24 0.1193 0.7496 0.7606 -0.0197 -0.0271 0.0385 25 LEU l CA ? ? 1 +43715 C CB . LEU AE 24 0.1234 0.7522 0.7616 -0.0184 -0.0237 0.0402 25 LEU l CB ? ? 1 +43716 C CG . LEU AE 24 0.1222 0.7523 0.7623 -0.0186 -0.0233 0.0420 25 LEU l CG ? ? 1 +43717 C CD1 . LEU AE 24 0.1277 0.7553 0.7635 -0.0175 -0.0198 0.0437 25 LEU l CD1 ? ? 1 +43718 C CD2 . LEU AE 24 0.1142 0.7492 0.7626 -0.0201 -0.0229 0.0425 25 LEU l CD2 ? ? 1 +43719 C C . LEU AE 24 0.1214 0.7499 0.7611 -0.0197 -0.0267 0.0369 25 LEU l C ? ? 1 +43720 O O . LEU AE 24 0.1178 0.7483 0.7621 -0.0204 -0.0259 0.0367 25 LEU l O ? ? 1 +43721 N N . VAL AE 25 0.1298 0.7538 0.7625 -0.0186 -0.0274 0.0358 26 VAL l N ? ? 1 +43722 C CA . VAL AE 25 0.1340 0.7554 0.7644 -0.0184 -0.0269 0.0343 26 VAL l CA ? ? 1 +43723 C CB . VAL AE 25 0.1438 0.7597 0.7653 -0.0168 -0.0270 0.0334 26 VAL l CB ? ? 1 +43724 C CG1 . VAL AE 25 0.1486 0.7610 0.7672 -0.0170 -0.0275 0.0314 26 VAL l CG1 ? ? 1 +43725 C CG2 . VAL AE 25 0.1468 0.7613 0.7649 -0.0148 -0.0232 0.0350 26 VAL l CG2 ? ? 1 +43726 C C . VAL AE 25 0.1329 0.7553 0.7668 -0.0205 -0.0294 0.0327 26 VAL l C ? ? 1 +43727 O O . VAL AE 25 0.1312 0.7532 0.7668 -0.0208 -0.0283 0.0322 26 VAL l O ? ? 1 +43728 N N . LEU AE 26 0.1350 0.7585 0.7700 -0.0218 -0.0327 0.0317 27 LEU l N ? ? 1 +43729 C CA . LEU AE 26 0.1336 0.7585 0.7725 -0.0242 -0.0347 0.0302 27 LEU l CA ? ? 1 +43730 C CB . LEU AE 26 0.1344 0.7616 0.7749 -0.0253 -0.0383 0.0292 27 LEU l CB ? ? 1 +43731 C CG . LEU AE 26 0.1422 0.7662 0.7768 -0.0250 -0.0411 0.0272 27 LEU l CG ? ? 1 +43732 C CD1 . LEU AE 26 0.1409 0.7684 0.7785 -0.0259 -0.0448 0.0261 27 LEU l CD1 ? ? 1 +43733 C CD2 . LEU AE 26 0.1464 0.7669 0.7788 -0.0263 -0.0413 0.0251 27 LEU l CD2 ? ? 1 +43734 C C . LEU AE 26 0.1281 0.7566 0.7738 -0.0252 -0.0331 0.0312 27 LEU l C ? ? 1 +43735 O O . LEU AE 26 0.1270 0.7546 0.7742 -0.0264 -0.0329 0.0303 27 LEU l O ? ? 1 +43736 N N . ALA AE 27 0.1279 0.7597 0.7771 -0.0246 -0.0321 0.0330 28 ALA l N ? ? 1 +43737 C CA . ALA AE 27 0.1257 0.7609 0.7810 -0.0254 -0.0306 0.0340 28 ALA l CA ? ? 1 +43738 C CB . ALA AE 27 0.1234 0.7619 0.7818 -0.0250 -0.0301 0.0358 28 ALA l CB ? ? 1 +43739 C C . ALA AE 27 0.1296 0.7634 0.7843 -0.0243 -0.0280 0.0344 28 ALA l C ? ? 1 +43740 O O . ALA AE 27 0.1279 0.7627 0.7860 -0.0250 -0.0275 0.0344 28 ALA l O ? ? 1 +43741 N N . LEU AE 28 0.1362 0.7676 0.7864 -0.0223 -0.0263 0.0348 29 LEU l N ? ? 1 +43742 C CA . LEU AE 28 0.1406 0.7709 0.7903 -0.0209 -0.0239 0.0349 29 LEU l CA ? ? 1 +43743 C CB . LEU AE 28 0.1450 0.7739 0.7906 -0.0187 -0.0216 0.0356 29 LEU l CB ? ? 1 +43744 C CG . LEU AE 28 0.1456 0.7751 0.7921 -0.0169 -0.0187 0.0359 29 LEU l CG ? ? 1 +43745 C CD1 . LEU AE 28 0.1386 0.7734 0.7924 -0.0173 -0.0177 0.0370 29 LEU l CD1 ? ? 1 +43746 C CD2 . LEU AE 28 0.1507 0.7787 0.7929 -0.0149 -0.0161 0.0364 29 LEU l CD2 ? ? 1 +43747 C C . LEU AE 28 0.1464 0.7729 0.7933 -0.0213 -0.0247 0.0333 29 LEU l C ? ? 1 +43748 O O . LEU AE 28 0.1498 0.7757 0.7978 -0.0207 -0.0237 0.0332 29 LEU l O ? ? 1 +43749 N N . LEU AE 29 0.1497 0.7731 0.7927 -0.0223 -0.0268 0.0318 30 LEU l N ? ? 1 +43750 C CA . LEU AE 29 0.1545 0.7736 0.7945 -0.0231 -0.0276 0.0301 30 LEU l CA ? ? 1 +43751 C CB . LEU AE 29 0.1625 0.7781 0.7970 -0.0236 -0.0296 0.0284 30 LEU l CB ? ? 1 +43752 C CG . LEU AE 29 0.1682 0.7792 0.7999 -0.0253 -0.0309 0.0263 30 LEU l CG ? ? 1 +43753 C CD1 . LEU AE 29 0.1733 0.7796 0.8009 -0.0234 -0.0287 0.0260 30 LEU l CD1 ? ? 1 +43754 C CD2 . LEU AE 29 0.1739 0.7828 0.8015 -0.0262 -0.0336 0.0244 30 LEU l CD2 ? ? 1 +43755 C C . LEU AE 29 0.1518 0.7721 0.7962 -0.0255 -0.0286 0.0296 30 LEU l C ? ? 1 +43756 O O . LEU AE 29 0.1559 0.7730 0.7990 -0.0256 -0.0279 0.0290 30 LEU l O ? ? 1 +43757 N N . PHE AE 30 0.1489 0.7734 0.7979 -0.0273 -0.0301 0.0299 31 PHE l N ? ? 1 +43758 C CA . PHE AE 30 0.1457 0.7713 0.7987 -0.0298 -0.0309 0.0292 31 PHE l CA ? ? 1 +43759 C CB . PHE AE 30 0.1462 0.7751 0.8021 -0.0318 -0.0334 0.0284 31 PHE l CB ? ? 1 +43760 C CG . PHE AE 30 0.1531 0.7791 0.8058 -0.0334 -0.0354 0.0261 31 PHE l CG ? ? 1 +43761 C CD1 . PHE AE 30 0.1563 0.7802 0.8096 -0.0359 -0.0356 0.0245 31 PHE l CD1 ? ? 1 +43762 C CD2 . PHE AE 30 0.1588 0.7837 0.8076 -0.0323 -0.0370 0.0254 31 PHE l CD2 ? ? 1 +43763 C CE1 . PHE AE 30 0.1616 0.7828 0.8121 -0.0377 -0.0375 0.0221 31 PHE l CE1 ? ? 1 +43764 C CE2 . PHE AE 30 0.1648 0.7871 0.8106 -0.0338 -0.0392 0.0230 31 PHE l CE2 ? ? 1 +43765 C CZ . PHE AE 30 0.1658 0.7864 0.8128 -0.0366 -0.0394 0.0213 31 PHE l CZ ? ? 1 +43766 C C . PHE AE 30 0.1375 0.7659 0.7951 -0.0295 -0.0295 0.0307 31 PHE l C ? ? 1 +43767 O O . PHE AE 30 0.1336 0.7615 0.7931 -0.0312 -0.0294 0.0303 31 PHE l O ? ? 1 +43768 N N . SER AE 31 0.1344 0.7656 0.7937 -0.0276 -0.0282 0.0323 32 SER l N ? ? 1 +43769 C CA . SER AE 31 0.1288 0.7633 0.7928 -0.0274 -0.0272 0.0336 32 SER l CA ? ? 1 +43770 C CB . SER AE 31 0.1289 0.7662 0.7943 -0.0254 -0.0257 0.0351 32 SER l CB ? ? 1 +43771 O OG . SER AE 31 0.1347 0.7695 0.7962 -0.0233 -0.0242 0.0350 32 SER l OG ? ? 1 +43772 C C . SER AE 31 0.1287 0.7603 0.7918 -0.0271 -0.0263 0.0334 32 SER l C ? ? 1 +43773 O O . SER AE 31 0.1277 0.7605 0.7939 -0.0281 -0.0264 0.0337 32 SER l O ? ? 1 +43774 N N . SER AE 32 0.1314 0.7587 0.7898 -0.0255 -0.0254 0.0328 33 SER l N ? ? 1 +43775 C CA . SER AE 32 0.1342 0.7580 0.7908 -0.0246 -0.0247 0.0326 33 SER l CA ? ? 1 +43776 C CB . SER AE 32 0.1406 0.7599 0.7917 -0.0222 -0.0237 0.0321 33 SER l CB ? ? 1 +43777 O OG . SER AE 32 0.1394 0.7618 0.7915 -0.0197 -0.0224 0.0329 33 SER l OG ? ? 1 +43778 C C . SER AE 32 0.1367 0.7575 0.7926 -0.0273 -0.0255 0.0317 33 SER l C ? ? 1 +43779 O O . SER AE 32 0.1386 0.7579 0.7949 -0.0274 -0.0250 0.0321 33 SER l O ? ? 1 +43780 N N . TYR AE 33 0.1412 0.7609 0.7960 -0.0296 -0.0267 0.0305 34 TYR l N ? ? 1 +43781 C CA . TYR AE 33 0.1435 0.7607 0.7982 -0.0327 -0.0272 0.0293 34 TYR l CA ? ? 1 +43782 C CB . TYR AE 33 0.1477 0.7628 0.7999 -0.0346 -0.0285 0.0274 34 TYR l CB ? ? 1 +43783 C CG . TYR AE 33 0.1528 0.7623 0.7984 -0.0326 -0.0281 0.0268 34 TYR l CG ? ? 1 +43784 C CD1 . TYR AE 33 0.1579 0.7606 0.7987 -0.0328 -0.0272 0.0260 34 TYR l CD1 ? ? 1 +43785 C CD2 . TYR AE 33 0.1525 0.7633 0.7965 -0.0304 -0.0283 0.0271 34 TYR l CD2 ? ? 1 +43786 C CE1 . TYR AE 33 0.1642 0.7615 0.7988 -0.0308 -0.0268 0.0253 34 TYR l CE1 ? ? 1 +43787 C CE2 . TYR AE 33 0.1581 0.7638 0.7959 -0.0284 -0.0277 0.0264 34 TYR l CE2 ? ? 1 +43788 C CZ . TYR AE 33 0.1643 0.7633 0.7975 -0.0286 -0.0270 0.0254 34 TYR l CZ ? ? 1 +43789 O OH . TYR AE 33 0.1734 0.7671 0.8004 -0.0265 -0.0263 0.0247 34 TYR l OH ? ? 1 +43790 C C . TYR AE 33 0.1381 0.7600 0.7986 -0.0345 -0.0274 0.0299 34 TYR l C ? ? 1 +43791 O O . TYR AE 33 0.1406 0.7605 0.8013 -0.0362 -0.0269 0.0297 34 TYR l O ? ? 1 +43792 N N . PHE AE 34 0.1346 0.7623 0.7993 -0.0340 -0.0281 0.0308 35 PHE l N ? ? 1 +43793 C CA . PHE AE 34 0.1301 0.7622 0.8001 -0.0352 -0.0283 0.0314 35 PHE l CA ? ? 1 +43794 C CB . PHE AE 34 0.1300 0.7673 0.8034 -0.0345 -0.0292 0.0321 35 PHE l CB ? ? 1 +43795 C CG . PHE AE 34 0.1381 0.7763 0.8110 -0.0355 -0.0309 0.0310 35 PHE l CG ? ? 1 +43796 C CD1 . PHE AE 34 0.1447 0.7805 0.8160 -0.0376 -0.0318 0.0291 35 PHE l CD1 ? ? 1 +43797 C CD2 . PHE AE 34 0.1395 0.7806 0.8132 -0.0342 -0.0317 0.0316 35 PHE l CD2 ? ? 1 +43798 C CE1 . PHE AE 34 0.1477 0.7846 0.8186 -0.0383 -0.0338 0.0278 35 PHE l CE1 ? ? 1 +43799 C CE2 . PHE AE 34 0.1433 0.7849 0.8159 -0.0346 -0.0337 0.0305 35 PHE l CE2 ? ? 1 +43800 C CZ . PHE AE 34 0.1467 0.7865 0.8181 -0.0366 -0.0349 0.0285 35 PHE l CZ ? ? 1 +43801 C C . PHE AE 34 0.1269 0.7588 0.7979 -0.0341 -0.0270 0.0326 35 PHE l C ? ? 1 +43802 O O . PHE AE 34 0.1249 0.7573 0.7979 -0.0357 -0.0267 0.0327 35 PHE l O ? ? 1 +43803 N N . PHE AE 35 0.1256 0.7572 0.7952 -0.0313 -0.0263 0.0336 36 PHE l N ? ? 1 +43804 C CA . PHE AE 35 0.1224 0.7535 0.7924 -0.0299 -0.0255 0.0344 36 PHE l CA ? ? 1 +43805 C CB . PHE AE 35 0.1245 0.7577 0.7950 -0.0268 -0.0249 0.0353 36 PHE l CB ? ? 1 +43806 C CG . PHE AE 35 0.1224 0.7615 0.7976 -0.0267 -0.0251 0.0361 36 PHE l CG ? ? 1 +43807 C CD1 . PHE AE 35 0.1200 0.7624 0.7992 -0.0275 -0.0254 0.0368 36 PHE l CD1 ? ? 1 +43808 C CD2 . PHE AE 35 0.1245 0.7651 0.7994 -0.0257 -0.0248 0.0363 36 PHE l CD2 ? ? 1 +43809 C CE1 . PHE AE 35 0.1168 0.7638 0.7999 -0.0275 -0.0255 0.0375 36 PHE l CE1 ? ? 1 +43810 C CE2 . PHE AE 35 0.1217 0.7668 0.8002 -0.0258 -0.0247 0.0372 36 PHE l CE2 ? ? 1 +43811 C CZ . PHE AE 35 0.1180 0.7662 0.8007 -0.0267 -0.0250 0.0378 36 PHE l CZ ? ? 1 +43812 C C . PHE AE 35 0.1241 0.7488 0.7893 -0.0300 -0.0249 0.0339 36 PHE l C ? ? 1 +43813 O O . PHE AE 35 0.1230 0.7464 0.7881 -0.0297 -0.0244 0.0344 36 PHE l O ? ? 1 +43814 N N . ASN AE 36 0.1273 0.7475 0.7882 -0.0303 -0.0248 0.0329 37 ASN l N ? ? 1 +43815 C CA . ASN AE 36 0.1340 0.7469 0.7895 -0.0305 -0.0241 0.0323 37 ASN l CA ? ? 1 +43816 C CB . ASN AE 36 0.1363 0.7478 0.7925 -0.0342 -0.0239 0.0316 37 ASN l CB ? ? 1 +43817 C CG . ASN AE 36 0.1456 0.7494 0.7961 -0.0356 -0.0232 0.0305 37 ASN l CG ? ? 1 +43818 O OD1 . ASN AE 36 0.1527 0.7516 0.7982 -0.0335 -0.0228 0.0303 37 ASN l OD1 ? ? 1 +43819 N ND2 . ASN AE 36 0.1495 0.7518 0.8006 -0.0392 -0.0227 0.0296 37 ASN l ND2 ? ? 1 +43820 C C . ASN AE 36 0.1335 0.7442 0.7870 -0.0274 -0.0234 0.0333 37 ASN l C ? ? 1 +43821 O O . ASN AE 36 0.1330 0.7396 0.7841 -0.0277 -0.0229 0.0335 37 ASN l O ? ? 1 +43822 O OXT . ASN AE 36 0.1370 0.7500 0.7911 -0.0244 -0.0234 0.0338 37 ASN l OXT ? ? 1 +43823 N N . FME AF 1 0.3672 1.0001 1.0373 -0.0090 -0.0275 0.0371 1 FME m N ? ? 1 +43824 C CN . FME AF 1 0.4103 1.0432 1.0799 -0.0064 -0.0289 0.0370 1 FME m CN ? ? 1 +43825 O O1 . FME AF 1 0.4507 1.0770 1.1143 -0.0048 -0.0294 0.0371 1 FME m O1 ? ? 1 +43826 C CA . FME AF 1 0.3527 0.9786 1.0169 -0.0105 -0.0265 0.0370 1 FME m CA ? ? 1 +43827 C CB . FME AF 1 0.3570 0.9831 1.0209 -0.0108 -0.0254 0.0366 1 FME m CB ? ? 1 +43828 C CG . FME AF 1 0.3614 0.9898 1.0263 -0.0069 -0.0252 0.0362 1 FME m CG ? ? 1 +43829 S SD . FME AF 1 0.3696 0.9900 1.0270 -0.0029 -0.0255 0.0359 1 FME m SD ? ? 1 +43830 C CE . FME AF 1 0.3634 0.9765 1.0146 -0.0049 -0.0241 0.0354 1 FME m CE ? ? 1 +43831 C C . FME AF 1 0.3181 0.9429 0.9825 -0.0145 -0.0263 0.0374 1 FME m C ? ? 1 +43832 O O . FME AF 1 0.2838 0.9145 0.9536 -0.0163 -0.0265 0.0376 1 FME m O ? ? 1 +43833 N N . GLU AF 2 0.3201 0.9380 0.9790 -0.0155 -0.0259 0.0374 2 GLU m N ? ? 1 +43834 C CA . GLU AF 2 0.3286 0.9464 0.9885 -0.0193 -0.0254 0.0375 2 GLU m CA ? ? 1 +43835 C CB . GLU AF 2 0.3782 0.9886 1.0322 -0.0198 -0.0248 0.0377 2 GLU m CB ? ? 1 +43836 C CG . GLU AF 2 0.4184 1.0285 1.0712 -0.0171 -0.0260 0.0383 2 GLU m CG ? ? 1 +43837 C CD . GLU AF 2 0.4774 1.0794 1.1234 -0.0176 -0.0253 0.0386 2 GLU m CD ? ? 1 +43838 O OE1 . GLU AF 2 0.4826 1.0828 1.1281 -0.0212 -0.0238 0.0386 2 GLU m OE1 ? ? 1 +43839 O OE2 . GLU AF 2 0.5165 1.1142 1.1577 -0.0142 -0.0261 0.0389 2 GLU m OE2 ? ? 1 +43840 C C . GLU AF 2 0.2872 0.9054 0.9480 -0.0223 -0.0245 0.0370 2 GLU m C ? ? 1 +43841 O O . GLU AF 2 0.2833 0.8958 0.9398 -0.0239 -0.0237 0.0365 2 GLU m O ? ? 1 +43842 N N . VAL AF 3 0.2627 0.8873 0.9289 -0.0229 -0.0249 0.0370 3 VAL m N ? ? 1 +43843 C CA . VAL AF 3 0.2584 0.8841 0.9258 -0.0254 -0.0245 0.0365 3 VAL m CA ? ? 1 +43844 C CB . VAL AF 3 0.2580 0.8893 0.9293 -0.0247 -0.0248 0.0366 3 VAL m CB ? ? 1 +43845 C CG1 . VAL AF 3 0.2654 0.8958 0.9347 -0.0215 -0.0245 0.0365 3 VAL m CG1 ? ? 1 +43846 C CG2 . VAL AF 3 0.2565 0.8938 0.9333 -0.0249 -0.0253 0.0373 3 VAL m CG2 ? ? 1 +43847 C C . VAL AF 3 0.2492 0.8763 0.9190 -0.0287 -0.0244 0.0364 3 VAL m C ? ? 1 +43848 O O . VAL AF 3 0.2458 0.8735 0.9167 -0.0289 -0.0245 0.0368 3 VAL m O ? ? 1 +43849 N N . ASN AF 4 0.2485 0.8764 0.9193 -0.0310 -0.0244 0.0357 4 ASN m N ? ? 1 +43850 C CA . ASN AF 4 0.2443 0.8750 0.9186 -0.0338 -0.0245 0.0354 4 ASN m CA ? ? 1 +43851 C CB . ASN AF 4 0.2474 0.8768 0.9210 -0.0363 -0.0245 0.0342 4 ASN m CB ? ? 1 +43852 C CG . ASN AF 4 0.2544 0.8875 0.9323 -0.0389 -0.0247 0.0336 4 ASN m CG ? ? 1 +43853 O OD1 . ASN AF 4 0.2448 0.8806 0.9257 -0.0391 -0.0245 0.0342 4 ASN m OD1 ? ? 1 +43854 N ND2 . ASN AF 4 0.2766 0.9101 0.9551 -0.0409 -0.0251 0.0324 4 ASN m ND2 ? ? 1 +43855 C C . ASN AF 4 0.2393 0.8766 0.9189 -0.0332 -0.0253 0.0360 4 ASN m C ? ? 1 +43856 O O . ASN AF 4 0.2253 0.8649 0.9060 -0.0323 -0.0257 0.0361 4 ASN m O ? ? 1 +43857 N N A GLN AF 5 0.2451 0.8847 0.9276 -0.0339 -0.0252 0.0364 5 GLN m N ? ? 1 +43858 N N B GLN AF 5 0.2469 0.8863 0.9292 -0.0339 -0.0252 0.0364 5 GLN m N ? ? 1 +43859 C CA A GLN AF 5 0.2470 0.8919 0.9339 -0.0333 -0.0259 0.0371 5 GLN m CA ? ? 1 +43860 C CA B GLN AF 5 0.2502 0.8950 0.9371 -0.0334 -0.0258 0.0370 5 GLN m CA ? ? 1 +43861 C C A GLN AF 5 0.2395 0.8879 0.9296 -0.0347 -0.0264 0.0367 5 GLN m C ? ? 1 +43862 C C B GLN AF 5 0.2419 0.8901 0.9317 -0.0347 -0.0264 0.0367 5 GLN m C ? ? 1 +43863 O O A GLN AF 5 0.2431 0.8949 0.9358 -0.0340 -0.0269 0.0373 5 GLN m O ? ? 1 +43864 O O B GLN AF 5 0.2470 0.8982 0.9389 -0.0337 -0.0268 0.0373 5 GLN m O ? ? 1 +43865 C CB A GLN AF 5 0.2554 0.9010 0.9438 -0.0336 -0.0257 0.0374 5 GLN m CB ? ? 1 +43866 C CB B GLN AF 5 0.2605 0.9057 0.9487 -0.0340 -0.0256 0.0373 5 GLN m CB ? ? 1 +43867 C CG A GLN AF 5 0.2569 0.8996 0.9424 -0.0318 -0.0256 0.0378 5 GLN m CG ? ? 1 +43868 C CG B GLN AF 5 0.2609 0.9028 0.9472 -0.0362 -0.0245 0.0367 5 GLN m CG ? ? 1 +43869 C CD A GLN AF 5 0.2512 0.8970 0.9387 -0.0296 -0.0264 0.0383 5 GLN m CD ? ? 1 +43870 C CD B GLN AF 5 0.2693 0.9052 0.9501 -0.0354 -0.0238 0.0368 5 GLN m CD ? ? 1 +43871 O OE1 A GLN AF 5 0.2576 0.9042 0.9451 -0.0284 -0.0264 0.0383 5 GLN m OE1 ? ? 1 +43872 O OE1 B GLN AF 5 0.2753 0.9099 0.9543 -0.0330 -0.0243 0.0374 5 GLN m OE1 ? ? 1 +43873 N NE2 A GLN AF 5 0.2461 0.8939 0.9355 -0.0290 -0.0269 0.0386 5 GLN m NE2 ? ? 1 +43874 N NE2 B GLN AF 5 0.2710 0.9027 0.9489 -0.0372 -0.0228 0.0361 5 GLN m NE2 ? ? 1 +43875 N N . LEU AF 6 0.2291 0.8764 0.9188 -0.0368 -0.0264 0.0357 6 LEU m N ? ? 1 +43876 C CA . LEU AF 6 0.2167 0.8671 0.9089 -0.0377 -0.0273 0.0352 6 LEU m CA ? ? 1 +43877 C CB . LEU AF 6 0.2251 0.8752 0.9182 -0.0403 -0.0272 0.0338 6 LEU m CB ? ? 1 +43878 C CG . LEU AF 6 0.2271 0.8785 0.9229 -0.0416 -0.0263 0.0337 6 LEU m CG ? ? 1 +43879 C CD1 . LEU AF 6 0.2450 0.8970 0.9425 -0.0443 -0.0260 0.0321 6 LEU m CD1 ? ? 1 +43880 C CD2 . LEU AF 6 0.2226 0.8784 0.9222 -0.0407 -0.0269 0.0344 6 LEU m CD2 ? ? 1 +43881 C C . LEU AF 6 0.1990 0.8490 0.8893 -0.0367 -0.0280 0.0351 6 LEU m C ? ? 1 +43882 O O . LEU AF 6 0.1951 0.8475 0.8868 -0.0367 -0.0290 0.0348 6 LEU m O ? ? 1 +43883 N N . GLY AF 7 0.1865 0.8331 0.8730 -0.0354 -0.0274 0.0352 7 GLY m N ? ? 1 +43884 C CA . GLY AF 7 0.1776 0.8233 0.8617 -0.0340 -0.0277 0.0352 7 GLY m CA ? ? 1 +43885 C C . GLY AF 7 0.1660 0.8153 0.8522 -0.0326 -0.0279 0.0362 7 GLY m C ? ? 1 +43886 O O . GLY AF 7 0.1688 0.8182 0.8536 -0.0322 -0.0284 0.0361 7 GLY m O ? ? 1 +43887 N N . LEU AF 8 0.1546 0.8063 0.8437 -0.0321 -0.0275 0.0372 8 LEU m N ? ? 1 +43888 C CA . LEU AF 8 0.1492 0.8038 0.8403 -0.0312 -0.0274 0.0382 8 LEU m CA ? ? 1 +43889 C CB . LEU AF 8 0.1528 0.8095 0.8468 -0.0307 -0.0268 0.0389 8 LEU m CB ? ? 1 +43890 C CG . LEU AF 8 0.1571 0.8165 0.8534 -0.0302 -0.0264 0.0398 8 LEU m CG ? ? 1 +43891 C CD1 . LEU AF 8 0.1624 0.8214 0.8568 -0.0288 -0.0254 0.0402 8 LEU m CD1 ? ? 1 +43892 C CD2 . LEU AF 8 0.1554 0.8167 0.8547 -0.0301 -0.0262 0.0402 8 LEU m CD2 ? ? 1 +43893 C C . LEU AF 8 0.1370 0.7935 0.8296 -0.0320 -0.0284 0.0381 8 LEU m C ? ? 1 +43894 O O . LEU AF 8 0.1339 0.7905 0.8251 -0.0313 -0.0286 0.0385 8 LEU m O ? ? 1 +43895 N N . ILE AF 9 0.1288 0.7866 0.8239 -0.0334 -0.0290 0.0377 9 ILE m N ? ? 1 +43896 C CA . ILE AF 9 0.1203 0.7802 0.8171 -0.0338 -0.0302 0.0375 9 ILE m CA ? ? 1 +43897 C CB . ILE AF 9 0.1193 0.7812 0.8197 -0.0349 -0.0304 0.0372 9 ILE m CB ? ? 1 +43898 C CG1 . ILE AF 9 0.1225 0.7868 0.8248 -0.0347 -0.0317 0.0371 9 ILE m CG1 ? ? 1 +43899 C CG2 . ILE AF 9 0.1196 0.7806 0.8200 -0.0366 -0.0302 0.0359 9 ILE m CG2 ? ? 1 +43900 C CD1 . ILE AF 9 0.1222 0.7885 0.8278 -0.0349 -0.0317 0.0372 9 ILE m CD1 ? ? 1 +43901 C C . ILE AF 9 0.1164 0.7752 0.8109 -0.0340 -0.0314 0.0365 9 ILE m C ? ? 1 +43902 O O . ILE AF 9 0.1188 0.7784 0.8127 -0.0333 -0.0324 0.0366 9 ILE m O ? ? 1 +43903 N N . ALA AF 10 0.1120 0.7687 0.8047 -0.0350 -0.0313 0.0353 10 ALA m N ? ? 1 +43904 C CA . ALA AF 10 0.1122 0.7676 0.8025 -0.0355 -0.0326 0.0341 10 ALA m CA ? ? 1 +43905 C CB . ALA AF 10 0.1147 0.7669 0.8029 -0.0369 -0.0320 0.0329 10 ALA m CB ? ? 1 +43906 C C . ALA AF 10 0.1128 0.7666 0.7992 -0.0337 -0.0327 0.0347 10 ALA m C ? ? 1 +43907 O O . ALA AF 10 0.1109 0.7651 0.7962 -0.0333 -0.0343 0.0342 10 ALA m O ? ? 1 +43908 N N . THR AF 11 0.1115 0.7634 0.7959 -0.0324 -0.0311 0.0356 11 THR m N ? ? 1 +43909 C CA . THR AF 11 0.1127 0.7631 0.7935 -0.0307 -0.0306 0.0362 11 THR m CA ? ? 1 +43910 C CB . THR AF 11 0.1135 0.7625 0.7931 -0.0294 -0.0285 0.0369 11 THR m CB ? ? 1 +43911 O OG1 . THR AF 11 0.1151 0.7613 0.7928 -0.0299 -0.0284 0.0359 11 THR m OG1 ? ? 1 +43912 C CG2 . THR AF 11 0.1162 0.7640 0.7924 -0.0277 -0.0275 0.0376 11 THR m CG2 ? ? 1 +43913 C C . THR AF 11 0.1120 0.7644 0.7938 -0.0299 -0.0308 0.0374 11 THR m C ? ? 1 +43914 O O . THR AF 11 0.1162 0.7674 0.7948 -0.0290 -0.0315 0.0374 11 THR m O ? ? 1 +43915 N N . ALA AF 12 0.1113 0.7663 0.7971 -0.0302 -0.0303 0.0383 12 ALA m N ? ? 1 +43916 C CA . ALA AF 12 0.1139 0.7701 0.8004 -0.0295 -0.0302 0.0395 12 ALA m CA ? ? 1 +43917 C CB . ALA AF 12 0.1102 0.7687 0.8011 -0.0301 -0.0295 0.0402 12 ALA m CB ? ? 1 +43918 C C . ALA AF 12 0.1182 0.7746 0.8039 -0.0293 -0.0324 0.0390 12 ALA m C ? ? 1 +43919 O O . ALA AF 12 0.1213 0.7763 0.8039 -0.0281 -0.0326 0.0398 12 ALA m O ? ? 1 +43920 N N . LEU AF 13 0.1228 0.7810 0.8112 -0.0304 -0.0340 0.0378 13 LEU m N ? ? 1 +43921 C CA . LEU AF 13 0.1292 0.7885 0.8177 -0.0301 -0.0364 0.0370 13 LEU m CA ? ? 1 +43922 C CB . LEU AF 13 0.1252 0.7876 0.8185 -0.0317 -0.0374 0.0356 13 LEU m CB ? ? 1 +43923 C CG . LEU AF 13 0.1239 0.7884 0.8213 -0.0320 -0.0363 0.0364 13 LEU m CG ? ? 1 +43924 C CD1 . LEU AF 13 0.1245 0.7920 0.8264 -0.0334 -0.0370 0.0350 13 LEU m CD1 ? ? 1 +43925 C CD2 . LEU AF 13 0.1260 0.7906 0.8232 -0.0304 -0.0365 0.0378 13 LEU m CD2 ? ? 1 +43926 C C . LEU AF 13 0.1397 0.7967 0.8235 -0.0295 -0.0378 0.0360 13 LEU m C ? ? 1 +43927 O O . LEU AF 13 0.1408 0.7973 0.8222 -0.0281 -0.0394 0.0361 13 LEU m O ? ? 1 +43928 N N . PHE AF 14 0.1547 0.8099 0.8368 -0.0304 -0.0372 0.0351 14 PHE m N ? ? 1 +43929 C CA . PHE AF 14 0.1749 0.8272 0.8519 -0.0298 -0.0383 0.0341 14 PHE m CA ? ? 1 +43930 C CB . PHE AF 14 0.1971 0.8471 0.8726 -0.0309 -0.0371 0.0332 14 PHE m CB ? ? 1 +43931 C CG . PHE AF 14 0.2227 0.8693 0.8929 -0.0307 -0.0383 0.0317 14 PHE m CG ? ? 1 +43932 C CD1 . PHE AF 14 0.2340 0.8771 0.8987 -0.0289 -0.0371 0.0325 14 PHE m CD1 ? ? 1 +43933 C CD2 . PHE AF 14 0.2360 0.8829 0.9070 -0.0324 -0.0404 0.0295 14 PHE m CD2 ? ? 1 +43934 C CE1 . PHE AF 14 0.2445 0.8840 0.9038 -0.0286 -0.0382 0.0311 14 PHE m CE1 ? ? 1 +43935 C CE2 . PHE AF 14 0.2498 0.8933 0.9157 -0.0324 -0.0416 0.0280 14 PHE m CE2 ? ? 1 +43936 C CZ . PHE AF 14 0.2571 0.8967 0.9169 -0.0304 -0.0406 0.0288 14 PHE m CZ ? ? 1 +43937 C C . PHE AF 14 0.1754 0.8250 0.8473 -0.0277 -0.0376 0.0355 14 PHE m C ? ? 1 +43938 O O . PHE AF 14 0.1859 0.8340 0.8538 -0.0266 -0.0394 0.0350 14 PHE m O ? ? 1 +43939 N N . VAL AF 15 0.1652 0.8144 0.8372 -0.0271 -0.0349 0.0373 15 VAL m N ? ? 1 +43940 C CA . VAL AF 15 0.1633 0.8101 0.8309 -0.0253 -0.0338 0.0387 15 VAL m CA ? ? 1 +43941 C CB . VAL AF 15 0.1572 0.8039 0.8255 -0.0251 -0.0304 0.0402 15 VAL m CB ? ? 1 +43942 C CG1 . VAL AF 15 0.1594 0.8039 0.8239 -0.0238 -0.0288 0.0418 15 VAL m CG1 ? ? 1 +43943 C CG2 . VAL AF 15 0.1574 0.8026 0.8241 -0.0250 -0.0291 0.0394 15 VAL m CG2 ? ? 1 +43944 C C . VAL AF 15 0.1603 0.8077 0.8281 -0.0245 -0.0351 0.0396 15 VAL m C ? ? 1 +43945 O O . VAL AF 15 0.1718 0.8168 0.8346 -0.0231 -0.0363 0.0397 15 VAL m O ? ? 1 +43946 N N A LEU AF 16 0.1524 0.8028 0.8255 -0.0253 -0.0348 0.0402 16 LEU m N ? ? 1 +43947 N N B LEU AF 16 0.1538 0.8042 0.8269 -0.0253 -0.0348 0.0402 16 LEU m N ? ? 1 +43948 C CA A LEU AF 16 0.1518 0.8021 0.8249 -0.0243 -0.0353 0.0414 16 LEU m CA ? ? 1 +43949 C CA B LEU AF 16 0.1543 0.8046 0.8273 -0.0243 -0.0353 0.0414 16 LEU m CA ? ? 1 +43950 C C A LEU AF 16 0.1548 0.8053 0.8265 -0.0232 -0.0387 0.0405 16 LEU m C ? ? 1 +43951 C C B LEU AF 16 0.1562 0.8067 0.8278 -0.0232 -0.0387 0.0405 16 LEU m C ? ? 1 +43952 O O A LEU AF 16 0.1580 0.8059 0.8254 -0.0214 -0.0394 0.0415 16 LEU m O ? ? 1 +43953 O O B LEU AF 16 0.1594 0.8072 0.8265 -0.0214 -0.0394 0.0414 16 LEU m O ? ? 1 +43954 C CB A LEU AF 16 0.1458 0.7989 0.8247 -0.0254 -0.0341 0.0420 16 LEU m CB ? ? 1 +43955 C CB B LEU AF 16 0.1501 0.8033 0.8290 -0.0254 -0.0345 0.0419 16 LEU m CB ? ? 1 +43956 C CG A LEU AF 16 0.1452 0.7974 0.8243 -0.0256 -0.0310 0.0438 16 LEU m CG ? ? 1 +43957 C CG B LEU AF 16 0.1530 0.8053 0.8315 -0.0244 -0.0344 0.0434 16 LEU m CG ? ? 1 +43958 C CD1 A LEU AF 16 0.1474 0.7973 0.8227 -0.0252 -0.0289 0.0442 16 LEU m CD1 ? ? 1 +43959 C CD1 B LEU AF 16 0.1589 0.8079 0.8335 -0.0240 -0.0316 0.0451 16 LEU m CD1 ? ? 1 +43960 C CD2 A LEU AF 16 0.1389 0.7940 0.8237 -0.0271 -0.0299 0.0436 16 LEU m CD2 ? ? 1 +43961 C CD2 B LEU AF 16 0.1479 0.8031 0.8321 -0.0255 -0.0341 0.0434 16 LEU m CD2 ? ? 1 +43962 N N . VAL AF 17 0.1514 0.8051 0.8268 -0.0242 -0.0409 0.0385 17 VAL m N ? ? 1 +43963 C CA . VAL AF 17 0.1559 0.8112 0.8318 -0.0232 -0.0443 0.0374 17 VAL m CA ? ? 1 +43964 C CB . VAL AF 17 0.1595 0.8193 0.8413 -0.0250 -0.0460 0.0351 17 VAL m CB ? ? 1 +43965 C CG1 . VAL AF 17 0.1673 0.8292 0.8494 -0.0239 -0.0499 0.0333 17 VAL m CG1 ? ? 1 +43966 C CG2 . VAL AF 17 0.1560 0.8189 0.8439 -0.0261 -0.0446 0.0355 17 VAL m CG2 ? ? 1 +43967 C C . VAL AF 17 0.1592 0.8110 0.8282 -0.0213 -0.0462 0.0370 17 VAL m C ? ? 1 +43968 O O . VAL AF 17 0.1627 0.8130 0.8285 -0.0192 -0.0477 0.0378 17 VAL m O ? ? 1 +43969 N N . PRO AF 18 0.1604 0.8104 0.8261 -0.0219 -0.0462 0.0360 18 PRO m N ? ? 1 +43970 C CA . PRO AF 18 0.1647 0.8110 0.8231 -0.0201 -0.0481 0.0356 18 PRO m CA ? ? 1 +43971 C CB . PRO AF 18 0.1675 0.8126 0.8243 -0.0215 -0.0479 0.0339 18 PRO m CB ? ? 1 +43972 C CG . PRO AF 18 0.1622 0.8109 0.8260 -0.0241 -0.0466 0.0332 18 PRO m CG ? ? 1 +43973 C CD . PRO AF 18 0.1568 0.8076 0.8250 -0.0241 -0.0447 0.0350 18 PRO m CD ? ? 1 +43974 C C . PRO AF 18 0.1656 0.8070 0.8174 -0.0181 -0.0460 0.0380 18 PRO m C ? ? 1 +43975 O O . PRO AF 18 0.1684 0.8067 0.8143 -0.0159 -0.0479 0.0382 18 PRO m O ? ? 1 +43976 N N . SER AF 19 0.1590 0.7994 0.8115 -0.0190 -0.0420 0.0397 19 SER m N ? ? 1 +43977 C CA . SER AF 19 0.1625 0.7984 0.8092 -0.0176 -0.0395 0.0419 19 SER m CA ? ? 1 +43978 C CB . SER AF 19 0.1598 0.7963 0.8093 -0.0189 -0.0352 0.0432 19 SER m CB ? ? 1 +43979 O OG . SER AF 19 0.1594 0.7963 0.8093 -0.0198 -0.0341 0.0421 19 SER m OG ? ? 1 +43980 C C . SER AF 19 0.1631 0.7979 0.8086 -0.0160 -0.0405 0.0432 19 SER m C ? ? 1 +43981 O O . SER AF 19 0.1664 0.7965 0.8048 -0.0140 -0.0407 0.0443 19 SER m O ? ? 1 +43982 N N . VAL AF 20 0.1617 0.8004 0.8139 -0.0169 -0.0410 0.0432 20 VAL m N ? ? 1 +43983 C CA . VAL AF 20 0.1713 0.8090 0.8231 -0.0154 -0.0420 0.0443 20 VAL m CA ? ? 1 +43984 C CB . VAL AF 20 0.1720 0.8144 0.8321 -0.0169 -0.0417 0.0441 20 VAL m CB ? ? 1 +43985 C CG1 . VAL AF 20 0.1806 0.8231 0.8412 -0.0151 -0.0439 0.0444 20 VAL m CG1 ? ? 1 +43986 C CG2 . VAL AF 20 0.1708 0.8128 0.8330 -0.0186 -0.0376 0.0456 20 VAL m CG2 ? ? 1 +43987 C C . VAL AF 20 0.1765 0.8132 0.8244 -0.0129 -0.0463 0.0433 20 VAL m C ? ? 1 +43988 O O . VAL AF 20 0.1849 0.8174 0.8274 -0.0106 -0.0468 0.0447 20 VAL m O ? ? 1 +43989 N N . PHE AF 21 0.1719 0.8121 0.8224 -0.0133 -0.0493 0.0409 21 PHE m N ? ? 1 +43990 C CA . PHE AF 21 0.1764 0.8162 0.8233 -0.0110 -0.0537 0.0395 21 PHE m CA ? ? 1 +43991 C CB . PHE AF 21 0.1751 0.8194 0.8262 -0.0126 -0.0562 0.0365 21 PHE m CB ? ? 1 +43992 C CG . PHE AF 21 0.1818 0.8259 0.8293 -0.0105 -0.0609 0.0345 21 PHE m CG ? ? 1 +43993 C CD1 . PHE AF 21 0.1831 0.8298 0.8326 -0.0084 -0.0645 0.0338 21 PHE m CD1 ? ? 1 +43994 C CD2 . PHE AF 21 0.1884 0.8298 0.8305 -0.0106 -0.0619 0.0333 21 PHE m CD2 ? ? 1 +43995 C CE1 . PHE AF 21 0.1900 0.8370 0.8364 -0.0063 -0.0693 0.0318 21 PHE m CE1 ? ? 1 +43996 C CE2 . PHE AF 21 0.1955 0.8367 0.8339 -0.0086 -0.0667 0.0313 21 PHE m CE2 ? ? 1 +43997 C CZ . PHE AF 21 0.1949 0.8393 0.8359 -0.0065 -0.0705 0.0305 21 PHE m CZ ? ? 1 +43998 C C . PHE AF 21 0.1833 0.8161 0.8196 -0.0087 -0.0536 0.0407 21 PHE m C ? ? 1 +43999 O O . PHE AF 21 0.1916 0.8212 0.8227 -0.0058 -0.0557 0.0414 21 PHE m O ? ? 1 +44000 N N . LEU AF 22 0.1819 0.8118 0.8144 -0.0097 -0.0510 0.0410 22 LEU m N ? ? 1 +44001 C CA . LEU AF 22 0.1893 0.8124 0.8114 -0.0077 -0.0503 0.0421 22 LEU m CA ? ? 1 +44002 C CB . LEU AF 22 0.1905 0.8120 0.8104 -0.0092 -0.0474 0.0418 22 LEU m CB ? ? 1 +44003 C CG . LEU AF 22 0.1881 0.8125 0.8102 -0.0104 -0.0500 0.0389 22 LEU m CG ? ? 1 +44004 C CD1 . LEU AF 22 0.1869 0.8092 0.8069 -0.0116 -0.0467 0.0388 22 LEU m CD1 ? ? 1 +44005 C CD2 . LEU AF 22 0.1965 0.8189 0.8128 -0.0081 -0.0549 0.0371 22 LEU m CD2 ? ? 1 +44006 C C . LEU AF 22 0.1913 0.8092 0.8085 -0.0064 -0.0474 0.0451 22 LEU m C ? ? 1 +44007 O O . LEU AF 22 0.2001 0.8123 0.8085 -0.0038 -0.0484 0.0460 22 LEU m O ? ? 1 +44008 N N . ILE AF 23 0.1839 0.8036 0.8067 -0.0082 -0.0440 0.0465 23 ILE m N ? ? 1 +44009 C CA . ILE AF 23 0.1878 0.8027 0.8067 -0.0076 -0.0410 0.0492 23 ILE m CA ? ? 1 +44010 C CB . ILE AF 23 0.1833 0.8012 0.8094 -0.0105 -0.0368 0.0502 23 ILE m CB ? ? 1 +44011 C CG1 . ILE AF 23 0.1827 0.8016 0.8098 -0.0124 -0.0334 0.0500 23 ILE m CG1 ? ? 1 +44012 C CG2 . ILE AF 23 0.1876 0.8007 0.8105 -0.0102 -0.0339 0.0528 23 ILE m CG2 ? ? 1 +44013 C CD1 . ILE AF 23 0.1742 0.7975 0.8096 -0.0151 -0.0304 0.0502 23 ILE m CD1 ? ? 1 +44014 C C . ILE AF 23 0.1902 0.8033 0.8068 -0.0050 -0.0441 0.0498 23 ILE m C ? ? 1 +44015 O O . ILE AF 23 0.1983 0.8045 0.8065 -0.0029 -0.0435 0.0516 23 ILE m O ? ? 1 +44016 N N . ILE AF 24 0.1835 0.8023 0.8073 -0.0049 -0.0475 0.0481 24 ILE m N ? ? 1 +44017 C CA . ILE AF 24 0.1859 0.8037 0.8081 -0.0020 -0.0511 0.0482 24 ILE m CA ? ? 1 +44018 C CB . ILE AF 24 0.1783 0.8042 0.8103 -0.0025 -0.0543 0.0459 24 ILE m CB ? ? 1 +44019 C CG1 . ILE AF 24 0.1707 0.8001 0.8108 -0.0052 -0.0512 0.0465 24 ILE m CG1 ? ? 1 +44020 C CG2 . ILE AF 24 0.1838 0.8096 0.8142 0.0012 -0.0588 0.0452 24 ILE m CG2 ? ? 1 +44021 C CD1 . ILE AF 24 0.1637 0.8013 0.8138 -0.0069 -0.0529 0.0441 24 ILE m CD1 ? ? 1 +44022 C C . ILE AF 24 0.1960 0.8087 0.8083 0.0014 -0.0542 0.0479 24 ILE m C ? ? 1 +44023 O O . ILE AF 24 0.2050 0.8114 0.8097 0.0042 -0.0546 0.0497 24 ILE m O ? ? 1 +44024 N N . LEU AF 25 0.1968 0.8118 0.8088 0.0012 -0.0566 0.0457 25 LEU m N ? ? 1 +44025 C CA . LEU AF 25 0.2072 0.8180 0.8103 0.0044 -0.0603 0.0450 25 LEU m CA ? ? 1 +44026 C CB . LEU AF 25 0.2069 0.8218 0.8120 0.0033 -0.0631 0.0419 25 LEU m CB ? ? 1 +44027 C CG . LEU AF 25 0.2005 0.8241 0.8155 0.0026 -0.0675 0.0389 25 LEU m CG ? ? 1 +44028 C CD1 . LEU AF 25 0.2027 0.8284 0.8173 0.0019 -0.0706 0.0359 25 LEU m CD1 ? ? 1 +44029 C CD2 . LEU AF 25 0.2035 0.8279 0.8183 0.0061 -0.0716 0.0386 25 LEU m CD2 ? ? 1 +44030 C C . LEU AF 25 0.2172 0.8185 0.8084 0.0057 -0.0572 0.0475 25 LEU m C ? ? 1 +44031 O O . LEU AF 25 0.2270 0.8223 0.8090 0.0093 -0.0595 0.0484 25 LEU m O ? ? 1 +44032 N N . TYR AF 26 0.2146 0.8146 0.8058 0.0030 -0.0520 0.0487 26 TYR m N ? ? 1 +44033 C CA . TYR AF 26 0.2237 0.8151 0.8044 0.0039 -0.0482 0.0511 26 TYR m CA ? ? 1 +44034 C CB . TYR AF 26 0.2207 0.8132 0.8042 0.0006 -0.0426 0.0517 26 TYR m CB ? ? 1 +44035 C CG . TYR AF 26 0.2307 0.8148 0.8044 0.0012 -0.0380 0.0542 26 TYR m CG ? ? 1 +44036 C CD1 . TYR AF 26 0.2424 0.8198 0.8046 0.0037 -0.0389 0.0543 26 TYR m CD1 ? ? 1 +44037 C CD2 . TYR AF 26 0.2311 0.8139 0.8067 -0.0008 -0.0328 0.0565 26 TYR m CD2 ? ? 1 +44038 C CE1 . TYR AF 26 0.2550 0.8244 0.8076 0.0043 -0.0343 0.0567 26 TYR m CE1 ? ? 1 +44039 C CE2 . TYR AF 26 0.2417 0.8169 0.8085 -0.0005 -0.0281 0.0587 26 TYR m CE2 ? ? 1 +44040 C CZ . TYR AF 26 0.2547 0.8231 0.8098 0.0020 -0.0287 0.0589 26 TYR m CZ ? ? 1 +44041 O OH . TYR AF 26 0.2697 0.8302 0.8155 0.0023 -0.0238 0.0612 26 TYR m OH ? ? 1 +44042 C C . TYR AF 26 0.2288 0.8144 0.8049 0.0054 -0.0464 0.0539 26 TYR m C ? ? 1 +44043 O O . TYR AF 26 0.2381 0.8157 0.8031 0.0083 -0.0468 0.0553 26 TYR m O ? ? 1 +44044 N N . VAL AF 27 0.2242 0.8132 0.8083 0.0034 -0.0444 0.0547 27 VAL m N ? ? 1 +44045 C CA . VAL AF 27 0.2336 0.8168 0.8138 0.0042 -0.0421 0.0573 27 VAL m CA ? ? 1 +44046 C CB . VAL AF 27 0.2258 0.8140 0.8164 0.0011 -0.0394 0.0577 27 VAL m CB ? ? 1 +44047 C CG1 . VAL AF 27 0.2331 0.8151 0.8199 0.0018 -0.0374 0.0602 27 VAL m CG1 ? ? 1 +44048 C CG2 . VAL AF 27 0.2201 0.8111 0.8154 -0.0027 -0.0345 0.0578 27 VAL m CG2 ? ? 1 +44049 C C . VAL AF 27 0.2454 0.8246 0.8195 0.0085 -0.0467 0.0576 27 VAL m C ? ? 1 +44050 O O . VAL AF 27 0.2569 0.8271 0.8210 0.0105 -0.0453 0.0599 27 VAL m O ? ? 1 +44051 N N . GLN AF 28 0.2458 0.8313 0.8254 0.0100 -0.0522 0.0551 28 GLN m N ? ? 1 +44052 C CA . GLN AF 28 0.2582 0.8407 0.8326 0.0145 -0.0572 0.0549 28 GLN m CA ? ? 1 +44053 C CB . GLN AF 28 0.2472 0.8392 0.8321 0.0151 -0.0621 0.0521 28 GLN m CB ? ? 1 +44054 C CG . GLN AF 28 0.2415 0.8407 0.8314 0.0144 -0.0658 0.0488 28 GLN m CG ? ? 1 +44055 C CD . GLN AF 28 0.2491 0.8455 0.8309 0.0184 -0.0712 0.0475 28 GLN m CD ? ? 1 +44056 O OE1 . GLN AF 28 0.2566 0.8504 0.8344 0.0225 -0.0747 0.0478 28 GLN m OE1 ? ? 1 +44057 N NE2 . GLN AF 28 0.2495 0.8461 0.8284 0.0177 -0.0721 0.0460 28 GLN m NE2 ? ? 1 +44058 C C . GLN AF 28 0.2778 0.8537 0.8400 0.0179 -0.0598 0.0549 28 GLN m C ? ? 1 +44059 O O . GLN AF 28 0.2903 0.8606 0.8447 0.0221 -0.0629 0.0557 28 GLN m O ? ? 1 +44060 N N . THR AF 29 0.2883 0.8643 0.8482 0.0163 -0.0587 0.0540 29 THR m N ? ? 1 +44061 C CA . THR AF 29 0.3120 0.8806 0.8591 0.0193 -0.0602 0.0542 29 THR m CA ? ? 1 +44062 C CB . THR AF 29 0.3067 0.8780 0.8544 0.0172 -0.0598 0.0522 29 THR m CB ? ? 1 +44063 O OG1 . THR AF 29 0.2919 0.8735 0.8513 0.0156 -0.0634 0.0490 29 THR m OG1 ? ? 1 +44064 C CG2 . THR AF 29 0.3191 0.8831 0.8535 0.0205 -0.0623 0.0519 29 THR m CG2 ? ? 1 +44065 C C . THR AF 29 0.3426 0.8998 0.8778 0.0202 -0.0554 0.0578 29 THR m C ? ? 1 +44066 O O . THR AF 29 0.3604 0.9095 0.8840 0.0242 -0.0576 0.0589 29 THR m O ? ? 1 +44067 N N . GLU AF 30 0.3624 0.9192 0.9006 0.0164 -0.0488 0.0595 30 GLU m N ? ? 1 +44068 C CA . GLU AF 30 0.3919 0.9389 0.9207 0.0162 -0.0432 0.0629 30 GLU m CA ? ? 1 +44069 C CB . GLU AF 30 0.3941 0.9444 0.9306 0.0113 -0.0367 0.0638 30 GLU m CB ? ? 1 +44070 C CG . GLU AF 30 0.4031 0.9555 0.9399 0.0094 -0.0341 0.0627 30 GLU m CG ? ? 1 +44071 C CD . GLU AF 30 0.4259 0.9682 0.9487 0.0108 -0.0308 0.0645 30 GLU m CD ? ? 1 +44072 O OE1 . GLU AF 30 0.4406 0.9791 0.9616 0.0085 -0.0243 0.0667 30 GLU m OE1 ? ? 1 +44073 O OE2 . GLU AF 30 0.4435 0.9815 0.9570 0.0141 -0.0345 0.0637 30 GLU m OE2 ? ? 1 +44074 C C . GLU AF 30 0.4147 0.9551 0.9382 0.0189 -0.0440 0.0650 30 GLU m C ? ? 1 +44075 O O . GLU AF 30 0.4260 0.9557 0.9366 0.0212 -0.0424 0.0673 30 GLU m O ? ? 1 +44076 N N . SER AF 31 0.4407 0.9870 0.9738 0.0187 -0.0463 0.0642 31 SER m N ? ? 1 +44077 C CA . SER AF 31 0.4602 1.0007 0.9892 0.0213 -0.0471 0.0661 31 SER m CA ? ? 1 +44078 C CB . SER AF 31 0.4473 0.9956 0.9894 0.0191 -0.0472 0.0653 31 SER m CB ? ? 1 +44079 O OG . SER AF 31 0.4439 1.0015 0.9945 0.0206 -0.0532 0.0623 31 SER m OG ? ? 1 +44080 C C . SER AF 31 0.4890 1.0251 1.0093 0.0271 -0.0535 0.0656 31 SER m C ? ? 1 +44081 O O . SER AF 31 0.4982 1.0278 1.0129 0.0300 -0.0542 0.0673 31 SER m O ? ? 1 +44082 N N . GLN AF 32 0.5225 1.0621 1.0417 0.0290 -0.0582 0.0631 32 GLN m N ? ? 1 +44083 C CA . GLN AF 32 0.5830 1.1180 1.0927 0.0347 -0.0644 0.0625 32 GLN m CA ? ? 1 +44084 C CB . GLN AF 32 0.5745 1.1169 1.0875 0.0355 -0.0700 0.0589 32 GLN m CB ? ? 1 +44085 C CG . GLN AF 32 0.5566 1.1120 1.0849 0.0345 -0.0741 0.0557 32 GLN m CG ? ? 1 +44086 C CD . GLN AF 32 0.5470 1.1098 1.0796 0.0338 -0.0781 0.0521 32 GLN m CD ? ? 1 +44087 O OE1 . GLN AF 32 0.5738 1.1322 1.0968 0.0366 -0.0814 0.0513 32 GLN m OE1 ? ? 1 +44088 N NE2 . GLN AF 32 0.5235 1.0972 1.0701 0.0299 -0.0779 0.0499 32 GLN m NE2 ? ? 1 +44089 C C . GLN AF 32 0.6749 1.1958 1.1673 0.0371 -0.0617 0.0656 32 GLN m C ? ? 1 +44090 O O . GLN AF 32 0.7413 1.2581 1.2296 0.0341 -0.0559 0.0671 32 GLN m O ? ? 1 +44091 N N . GLN AF 33 0.8205 1.3338 1.3028 0.0425 -0.0657 0.0665 33 GLN m N ? ? 1 +44092 C CA . GLN AF 33 0.9983 1.4966 1.4637 0.0451 -0.0628 0.0700 33 GLN m CA ? ? 1 +44093 C CB . GLN AF 33 1.0569 1.5491 1.5144 0.0515 -0.0684 0.0706 33 GLN m CB ? ? 1 +44094 C CG . GLN AF 33 1.0901 1.5828 1.5540 0.0512 -0.0671 0.0719 33 GLN m CG ? ? 1 +44095 C CD . GLN AF 33 1.1197 1.6014 1.5764 0.0486 -0.0592 0.0758 33 GLN m CD ? ? 1 +44096 O OE1 . GLN AF 33 1.1176 1.5886 1.5612 0.0486 -0.0553 0.0781 33 GLN m OE1 ? ? 1 +44097 N NE2 . GLN AF 33 1.1252 1.6089 1.5900 0.0464 -0.0567 0.0766 33 GLN m NE2 ? ? 1 +44098 C C . GLN AF 33 1.0981 1.5900 1.5515 0.0458 -0.0618 0.0702 33 GLN m C ? ? 1 +44099 O O . GLN AF 33 1.0908 1.5850 1.5416 0.0488 -0.0677 0.0678 33 GLN m O ? ? 1 +44100 N N . LYS AF 34 1.1651 1.6486 1.6112 0.0431 -0.0542 0.0731 34 LYS m N ? ? 1 +44101 C CA . LYS AF 34 1.1886 1.6653 1.6232 0.0432 -0.0516 0.0737 34 LYS m CA ? ? 1 +44102 C CB . LYS AF 34 1.2328 1.6992 1.6505 0.0498 -0.0569 0.0741 34 LYS m CB ? ? 1 +44103 C CG . LYS AF 34 1.2499 1.7050 1.6513 0.0507 -0.0534 0.0757 34 LYS m CG ? ? 1 +44104 C CD . LYS AF 34 1.2434 1.6876 1.6273 0.0577 -0.0592 0.0761 34 LYS m CD ? ? 1 +44105 C CE . LYS AF 34 1.2221 1.6544 1.5888 0.0589 -0.0559 0.0776 34 LYS m CE ? ? 1 +44106 N NZ . LYS AF 34 1.2029 1.6424 1.5738 0.0569 -0.0566 0.0747 34 LYS m NZ ? ? 1 +44107 C C . LYS AF 34 1.1791 1.6673 1.6244 0.0399 -0.0523 0.0705 34 LYS m C ? ? 1 +44108 O O . LYS AF 34 1.1355 1.6335 1.5953 0.0354 -0.0498 0.0695 34 LYS m O ? ? 1 +44109 O OXT . LYS AF 34 1.1797 1.6669 1.6187 0.0419 -0.0554 0.0688 34 LYS m OXT ? ? 1 +44110 N N . THR AG 1 0.7454 1.6011 1.5781 0.2824 0.0195 -0.0542 4 THR o N ? ? 1 +44111 C CA . THR AG 1 0.7457 1.5801 1.5596 0.2770 0.0151 -0.0498 4 THR o CA ? ? 1 +44112 C CB . THR AG 1 0.7884 1.6075 1.5878 0.2876 0.0076 -0.0494 4 THR o CB ? ? 1 +44113 O OG1 . THR AG 1 0.7909 1.5981 1.5803 0.2825 0.0011 -0.0461 4 THR o OG1 ? ? 1 +44114 C CG2 . THR AG 1 0.8098 1.6093 1.5906 0.2935 0.0111 -0.0488 4 THR o CG2 ? ? 1 +44115 C C . THR AG 1 0.7052 1.5248 1.5055 0.2690 0.0222 -0.0468 4 THR o C ? ? 1 +44116 O O . THR AG 1 0.7218 1.5445 1.5241 0.2700 0.0297 -0.0483 4 THR o O ? ? 1 +44117 N N . LEU AG 2 0.6582 1.4616 1.4445 0.2614 0.0195 -0.0428 5 LEU o N ? ? 1 +44118 C CA . LEU AG 2 0.6106 1.4035 1.3874 0.2516 0.0253 -0.0400 5 LEU o CA ? ? 1 +44119 C CB . LEU AG 2 0.5916 1.3893 1.3742 0.2400 0.0233 -0.0376 5 LEU o CB ? ? 1 +44120 C CG . LEU AG 2 0.5829 1.4058 1.3890 0.2366 0.0243 -0.0400 5 LEU o CG ? ? 1 +44121 C CD1 . LEU AG 2 0.5662 1.3910 1.3755 0.2270 0.0201 -0.0376 5 LEU o CD1 ? ? 1 +44122 C CD2 . LEU AG 2 0.5820 1.4152 1.3970 0.2329 0.0338 -0.0413 5 LEU o CD2 ? ? 1 +44123 C C . LEU AG 2 0.5793 1.3458 1.3319 0.2530 0.0243 -0.0373 5 LEU o C ? ? 1 +44124 O O . LEU AG 2 0.5919 1.3472 1.3347 0.2590 0.0180 -0.0367 5 LEU o O ? ? 1 +44125 N N . THR AG 3 0.5346 1.2912 1.2777 0.2474 0.0306 -0.0358 6 THR o N ? ? 1 +44126 C CA . THR AG 3 0.5094 1.2413 1.2300 0.2460 0.0299 -0.0330 6 THR o CA ? ? 1 +44127 C CB . THR AG 3 0.5156 1.2394 1.2274 0.2489 0.0369 -0.0340 6 THR o CB ? ? 1 +44128 O OG1 . THR AG 3 0.5035 1.2355 1.2221 0.2404 0.0436 -0.0336 6 THR o OG1 ? ? 1 +44129 C CG2 . THR AG 3 0.5277 1.2593 1.2457 0.2611 0.0383 -0.0378 6 THR o CG2 ? ? 1 +44130 C C . THR AG 3 0.4717 1.1968 1.1871 0.2338 0.0293 -0.0294 6 THR o C ? ? 1 +44131 O O . THR AG 3 0.4502 1.1895 1.1789 0.2264 0.0308 -0.0292 6 THR o O ? ? 1 +44132 N N . TYR AG 4 0.4586 1.1619 1.1546 0.2317 0.0274 -0.0268 7 TYR o N ? ? 1 +44133 C CA . TYR AG 4 0.4283 1.1227 1.1172 0.2208 0.0265 -0.0234 7 TYR o CA ? ? 1 +44134 C CB . TYR AG 4 0.4322 1.1019 1.0991 0.2207 0.0252 -0.0214 7 TYR o CB ? ? 1 +44135 C CG . TYR AG 4 0.4220 1.0818 1.0808 0.2098 0.0240 -0.0181 7 TYR o CG ? ? 1 +44136 C CD1 . TYR AG 4 0.4114 1.0709 1.0715 0.2060 0.0181 -0.0162 7 TYR o CD1 ? ? 1 +44137 C CD2 . TYR AG 4 0.4172 1.0681 1.0672 0.2036 0.0288 -0.0170 7 TYR o CD2 ? ? 1 +44138 C CE1 . TYR AG 4 0.4007 1.0519 1.0541 0.1962 0.0172 -0.0133 7 TYR o CE1 ? ? 1 +44139 C CE2 . TYR AG 4 0.4092 1.0517 1.0524 0.1940 0.0275 -0.0141 7 TYR o CE2 ? ? 1 +44140 C CZ . TYR AG 4 0.4016 1.0443 1.0467 0.1903 0.0218 -0.0123 7 TYR o CZ ? ? 1 +44141 O OH . TYR AG 4 0.3944 1.0292 1.0332 0.1809 0.0205 -0.0095 7 TYR o OH ? ? 1 +44142 C C . TYR AG 4 0.4145 1.1165 1.1094 0.2122 0.0331 -0.0230 7 TYR o C ? ? 1 +44143 O O . TYR AG 4 0.4006 1.1079 1.1012 0.2033 0.0323 -0.0212 7 TYR o O ? ? 1 +44144 N N . ASP AG 5 0.4236 1.1255 1.1168 0.2149 0.0396 -0.0246 8 ASP o N ? ? 1 +44145 C CA . ASP AG 5 0.4203 1.1283 1.1179 0.2075 0.0464 -0.0242 8 ASP o CA ? ? 1 +44146 C CB . ASP AG 5 0.4294 1.1314 1.1195 0.2121 0.0530 -0.0259 8 ASP o CB ? ? 1 +44147 C CG . ASP AG 5 0.4386 1.1170 1.1069 0.2121 0.0524 -0.0244 8 ASP o CG ? ? 1 +44148 O OD1 . ASP AG 5 0.4367 1.1058 1.0966 0.2035 0.0525 -0.0218 8 ASP o OD1 ? ? 1 +44149 O OD2 . ASP AG 5 0.4524 1.1216 1.1121 0.2208 0.0517 -0.0258 8 ASP o OD2 ? ? 1 +44150 C C . ASP AG 5 0.4125 1.1436 1.1314 0.2044 0.0483 -0.0255 8 ASP o C ? ? 1 +44151 O O . ASP AG 5 0.4123 1.1476 1.1349 0.1955 0.0516 -0.0241 8 ASP o O ? ? 1 +44152 N N . ASP AG 6 0.4052 1.1509 1.1379 0.2115 0.0461 -0.0282 9 ASP o N ? ? 1 +44153 C CA . ASP AG 6 0.3893 1.1567 1.1425 0.2081 0.0465 -0.0294 9 ASP o CA ? ? 1 +44154 C CB . ASP AG 6 0.3937 1.1763 1.1609 0.2177 0.0443 -0.0330 9 ASP o CB ? ? 1 +44155 C CG . ASP AG 6 0.4073 1.1917 1.1744 0.2266 0.0494 -0.0359 9 ASP o CG ? ? 1 +44156 O OD1 . ASP AG 6 0.4111 1.1983 1.1797 0.2236 0.0572 -0.0364 9 ASP o OD1 ? ? 1 +44157 O OD2 . ASP AG 6 0.4163 1.1988 1.1816 0.2367 0.0456 -0.0377 9 ASP o OD2 ? ? 1 +44158 C C . ASP AG 6 0.3737 1.1422 1.1296 0.2002 0.0410 -0.0270 9 ASP o C ? ? 1 +44159 O O . ASP AG 6 0.3645 1.1449 1.1319 0.1927 0.0433 -0.0266 9 ASP o O ? ? 1 +44160 N N . ILE AG 7 0.3711 1.1264 1.1158 0.2019 0.0341 -0.0253 10 ILE o N ? ? 1 +44161 C CA . ILE AG 7 0.3557 1.1117 1.1026 0.1957 0.0283 -0.0232 10 ILE o CA ? ? 1 +44162 C CB . ILE AG 7 0.3659 1.1152 1.1073 0.2032 0.0204 -0.0233 10 ILE o CB ? ? 1 +44163 C CG1 . ILE AG 7 0.3726 1.1383 1.1287 0.2122 0.0185 -0.0270 10 ILE o CG1 ? ? 1 +44164 C CG2 . ILE AG 7 0.3608 1.1063 1.1001 0.1973 0.0144 -0.0209 10 ILE o CG2 ? ? 1 +44165 C CD1 . ILE AG 7 0.3854 1.1423 1.1334 0.2217 0.0117 -0.0274 10 ILE o CD1 ? ? 1 +44166 C C . ILE AG 7 0.3437 1.0866 1.0791 0.1857 0.0289 -0.0196 10 ILE o C ? ? 1 +44167 O O . ILE AG 7 0.3318 1.0800 1.0732 0.1784 0.0269 -0.0181 10 ILE o O ? ? 1 +44168 N N . VAL AG 8 0.3442 1.0700 1.0632 0.1855 0.0314 -0.0183 11 VAL o N ? ? 1 +44169 C CA . VAL AG 8 0.3385 1.0499 1.0450 0.1773 0.0305 -0.0150 11 VAL o CA ? ? 1 +44170 C CB . VAL AG 8 0.3475 1.0401 1.0358 0.1782 0.0333 -0.0143 11 VAL o CB ? ? 1 +44171 C CG1 . VAL AG 8 0.3494 1.0462 1.0396 0.1775 0.0411 -0.0155 11 VAL o CG1 ? ? 1 +44172 C CG2 . VAL AG 8 0.3442 1.0219 1.0198 0.1704 0.0308 -0.0111 11 VAL o CG2 ? ? 1 +44173 C C . VAL AG 8 0.3210 1.0416 1.0360 0.1673 0.0334 -0.0137 11 VAL o C ? ? 1 +44174 O O . VAL AG 8 0.3260 1.0569 1.0493 0.1658 0.0394 -0.0149 11 VAL o O ? ? 1 +44175 N N . GLY AG 9 0.3048 1.0215 1.0176 0.1604 0.0294 -0.0113 12 GLY o N ? ? 1 +44176 C CA . GLY AG 9 0.2886 1.0121 1.0080 0.1509 0.0317 -0.0098 12 GLY o CA ? ? 1 +44177 C C . GLY AG 9 0.2738 1.0169 1.0120 0.1490 0.0309 -0.0109 12 GLY o C ? ? 1 +44178 O O . GLY AG 9 0.2627 1.0103 1.0058 0.1409 0.0315 -0.0094 12 GLY o O ? ? 1 +44179 N N . THR AG 10 0.2729 1.0274 1.0216 0.1563 0.0294 -0.0137 13 THR o N ? ? 1 +44180 C CA . THR AG 10 0.2609 1.0354 1.0288 0.1549 0.0296 -0.0155 13 THR o CA ? ? 1 +44181 C CB . THR AG 10 0.2626 1.0498 1.0414 0.1638 0.0309 -0.0192 13 THR o CB ? ? 1 +44182 O OG1 . THR AG 10 0.2664 1.0495 1.0416 0.1717 0.0243 -0.0200 13 THR o OG1 ? ? 1 +44183 C CG2 . THR AG 10 0.2715 1.0555 1.0457 0.1672 0.0378 -0.0203 13 THR o CG2 ? ? 1 +44184 C C . THR AG 10 0.2527 1.0307 1.0254 0.1524 0.0226 -0.0147 13 THR o C ? ? 1 +44185 O O . THR AG 10 0.2446 1.0363 1.0309 0.1477 0.0227 -0.0152 13 THR o O ? ? 1 +44186 N N . GLY AG 11 0.2563 1.0218 1.0178 0.1558 0.0166 -0.0135 14 GLY o N ? ? 1 +44187 C CA . GLY AG 11 0.2511 1.0192 1.0161 0.1549 0.0097 -0.0130 14 GLY o CA ? ? 1 +44188 C C . GLY AG 11 0.2567 1.0317 1.0277 0.1644 0.0048 -0.0156 14 GLY o C ? ? 1 +44189 O O . GLY AG 11 0.2550 1.0295 1.0261 0.1654 -0.0016 -0.0152 14 GLY o O ? ? 1 +44190 N N . LEU AG 12 0.2648 1.0465 1.0409 0.1717 0.0080 -0.0184 15 LEU o N ? ? 1 +44191 C CA . LEU AG 12 0.2701 1.0582 1.0515 0.1818 0.0037 -0.0211 15 LEU o CA ? ? 1 +44192 C CB . LEU AG 12 0.2754 1.0734 1.0648 0.1882 0.0090 -0.0243 15 LEU o CB ? ? 1 +44193 C CG . LEU AG 12 0.2647 1.0845 1.0744 0.1846 0.0139 -0.0267 15 LEU o CG ? ? 1 +44194 C CD1 . LEU AG 12 0.2699 1.0977 1.0859 0.1918 0.0190 -0.0298 15 LEU o CD1 ? ? 1 +44195 C CD2 . LEU AG 12 0.2560 1.0917 1.0813 0.1839 0.0086 -0.0284 15 LEU o CD2 ? ? 1 +44196 C C . LEU AG 12 0.2824 1.0525 1.0471 0.1878 -0.0017 -0.0197 15 LEU o C ? ? 1 +44197 O O . LEU AG 12 0.2888 1.0616 1.0557 0.1944 -0.0076 -0.0210 15 LEU o O ? ? 1 +44198 N N . ALA AG 13 0.2898 1.0411 1.0373 0.1855 0.0001 -0.0172 16 ALA o N ? ? 1 +44199 C CA . ALA AG 13 0.3007 1.0333 1.0312 0.1900 -0.0044 -0.0156 16 ALA o CA ? ? 1 +44200 C CB . ALA AG 13 0.3071 1.0214 1.0210 0.1857 -0.0009 -0.0131 16 ALA o CB ? ? 1 +44201 C C . ALA AG 13 0.2961 1.0257 1.0245 0.1880 -0.0114 -0.0140 16 ALA o C ? ? 1 +44202 O O . ALA AG 13 0.3070 1.0255 1.0252 0.1940 -0.0162 -0.0136 16 ALA o O ? ? 1 +44203 N N . ASN AG 14 0.2805 1.0194 1.0182 0.1798 -0.0119 -0.0132 17 ASN o N ? ? 1 +44204 C CA . ASN AG 14 0.2737 1.0118 1.0113 0.1777 -0.0183 -0.0120 17 ASN o CA ? ? 1 +44205 C CB . ASN AG 14 0.2587 0.9944 0.9952 0.1664 -0.0168 -0.0093 17 ASN o CB ? ? 1 +44206 C CG . ASN AG 14 0.2527 0.9830 0.9849 0.1637 -0.0228 -0.0075 17 ASN o CG ? ? 1 +44207 O OD1 . ASN AG 14 0.2593 0.9769 0.9796 0.1681 -0.0269 -0.0065 17 ASN o OD1 ? ? 1 +44208 N ND2 . ASN AG 14 0.2404 0.9799 0.9817 0.1564 -0.0233 -0.0070 17 ASN o ND2 ? ? 1 +44209 C C . ASN AG 14 0.2716 1.0278 1.0254 0.1815 -0.0224 -0.0147 17 ASN o C ? ? 1 +44210 O O . ASN AG 14 0.2643 1.0229 1.0206 0.1786 -0.0272 -0.0140 17 ASN o O ? ? 1 +44211 N N . LYS AG 15 0.2799 1.0493 1.0450 0.1880 -0.0205 -0.0180 18 LYS o N ? ? 1 +44212 C CA . LYS AG 15 0.2818 1.0691 1.0628 0.1924 -0.0247 -0.0211 18 LYS o CA ? ? 1 +44213 C CB . LYS AG 15 0.2764 1.0845 1.0768 0.1898 -0.0194 -0.0239 18 LYS o CB ? ? 1 +44214 C CG . LYS AG 15 0.2676 1.0803 1.0736 0.1778 -0.0160 -0.0222 18 LYS o CG ? ? 1 +44215 C CD . LYS AG 15 0.2648 1.0976 1.0898 0.1746 -0.0108 -0.0248 18 LYS o CD ? ? 1 +44216 C CE . LYS AG 15 0.2609 1.0932 1.0867 0.1633 -0.0053 -0.0226 18 LYS o CE ? ? 1 +44217 N NZ . LYS AG 15 0.2591 1.0843 1.0793 0.1560 -0.0094 -0.0198 18 LYS o NZ ? ? 1 +44218 C C . LYS AG 15 0.2964 1.0809 1.0735 0.2047 -0.0290 -0.0230 18 LYS o C ? ? 1 +44219 O O . LYS AG 15 0.3062 1.0816 1.0744 0.2103 -0.0263 -0.0232 18 LYS o O ? ? 1 +44220 N N . CYS AG 16 0.3017 1.0935 1.0848 0.2089 -0.0359 -0.0245 19 CYS o N ? ? 1 +44221 C CA . CYS AG 16 0.3210 1.1119 1.1019 0.2211 -0.0407 -0.0266 19 CYS o CA ? ? 1 +44222 C CB . CYS AG 16 0.3177 1.1064 1.0958 0.2234 -0.0493 -0.0262 19 CYS o CB ? ? 1 +44223 S SG . CYS AG 16 0.3139 1.0775 1.0697 0.2175 -0.0516 -0.0211 19 CYS o SG ? ? 1 +44224 C C . CYS AG 16 0.3314 1.1432 1.1309 0.2266 -0.0386 -0.0310 19 CYS o C ? ? 1 +44225 O O . CYS AG 16 0.3206 1.1494 1.1364 0.2206 -0.0354 -0.0325 19 CYS o O ? ? 1 +44226 N N . PRO AG 17 0.3597 1.1707 1.1572 0.2380 -0.0399 -0.0331 20 PRO o N ? ? 1 +44227 C CA . PRO AG 17 0.3744 1.2065 1.1906 0.2441 -0.0387 -0.0377 20 PRO o CA ? ? 1 +44228 C CB . PRO AG 17 0.3843 1.2076 1.1910 0.2572 -0.0414 -0.0389 20 PRO o CB ? ? 1 +44229 C CG . PRO AG 17 0.3869 1.1838 1.1698 0.2558 -0.0401 -0.0348 20 PRO o CG ? ? 1 +44230 C CD . PRO AG 17 0.3761 1.1660 1.1535 0.2455 -0.0421 -0.0314 20 PRO o CD ? ? 1 +44231 C C . PRO AG 17 0.3903 1.2420 1.2243 0.2432 -0.0439 -0.0403 20 PRO o C ? ? 1 +44232 O O . PRO AG 17 0.3875 1.2345 1.2170 0.2411 -0.0502 -0.0388 20 PRO o O ? ? 1 +44233 N N . THR AG 18 0.4258 1.2995 1.2802 0.2440 -0.0410 -0.0442 21 THR o N ? ? 1 +44234 C CA . THR AG 18 0.4591 1.3531 1.3319 0.2451 -0.0462 -0.0476 21 THR o CA ? ? 1 +44235 C CB . THR AG 18 0.4840 1.3953 1.3745 0.2342 -0.0416 -0.0487 21 THR o CB ? ? 1 +44236 O OG1 . THR AG 18 0.5110 1.4363 1.4143 0.2339 -0.0486 -0.0510 21 THR o OG1 ? ? 1 +44237 C CG2 . THR AG 18 0.4890 1.4162 1.3947 0.2350 -0.0337 -0.0518 21 THR o CG2 ? ? 1 +44238 C C . THR AG 18 0.4565 1.3636 1.3400 0.2572 -0.0481 -0.0522 21 THR o C ? ? 1 +44239 O O . THR AG 18 0.4538 1.3579 1.3341 0.2626 -0.0432 -0.0529 21 THR o O ? ? 1 +44240 N N . LEU AG 19 0.4662 1.3880 1.3623 0.2613 -0.0553 -0.0554 22 LEU o N ? ? 1 +44241 C CA . LEU AG 19 0.4836 1.4227 1.3944 0.2719 -0.0575 -0.0604 22 LEU o CA ? ? 1 +44242 C CB . LEU AG 19 0.4791 1.4150 1.3847 0.2818 -0.0682 -0.0615 22 LEU o CB ? ? 1 +44243 C CG . LEU AG 19 0.4823 1.3916 1.3622 0.2883 -0.0714 -0.0578 22 LEU o CG ? ? 1 +44244 C CD1 . LEU AG 19 0.4953 1.4034 1.3717 0.2985 -0.0821 -0.0593 22 LEU o CD1 ? ? 1 +44245 C CD2 . LEU AG 19 0.4822 1.3828 1.3540 0.2951 -0.0656 -0.0578 22 LEU o CD2 ? ? 1 +44246 C C . LEU AG 19 0.5049 1.4703 1.4413 0.2657 -0.0548 -0.0641 22 LEU o C ? ? 1 +44247 O O . LEU AG 19 0.4867 1.4551 1.4274 0.2547 -0.0538 -0.0627 22 LEU o O ? ? 1 +44248 N N . ASP AG 20 0.5406 1.5248 1.4939 0.2727 -0.0533 -0.0689 23 ASP o N ? ? 1 +44249 C CA . ASP AG 20 0.5768 1.5871 1.5556 0.2676 -0.0508 -0.0730 23 ASP o CA ? ? 1 +44250 C CB . ASP AG 20 0.5904 1.6182 1.5849 0.2757 -0.0468 -0.0778 23 ASP o CB ? ? 1 +44251 C CG . ASP AG 20 0.5951 1.6147 1.5822 0.2762 -0.0371 -0.0764 23 ASP o CG ? ? 1 +44252 O OD1 . ASP AG 20 0.5862 1.5958 1.5656 0.2660 -0.0303 -0.0728 23 ASP o OD1 ? ? 1 +44253 O OD2 . ASP AG 20 0.6014 1.6251 1.5911 0.2868 -0.0361 -0.0792 23 ASP o OD2 ? ? 1 +44254 C C . ASP AG 20 0.6190 1.6409 1.6080 0.2677 -0.0603 -0.0754 23 ASP o C ? ? 1 +44255 O O . ASP AG 20 0.6520 1.6634 1.6293 0.2741 -0.0689 -0.0744 23 ASP o O ? ? 1 +44256 N N . ASP AG 21 0.6453 1.6891 1.6562 0.2606 -0.0586 -0.0785 24 ASP o N ? ? 1 +44257 C CA . ASP AG 21 0.6653 1.7250 1.6904 0.2617 -0.0672 -0.0822 24 ASP o CA ? ? 1 +44258 C CB . ASP AG 21 0.6575 1.7380 1.7046 0.2506 -0.0629 -0.0847 24 ASP o CB ? ? 1 +44259 C CG . ASP AG 21 0.6669 1.7369 1.7065 0.2368 -0.0579 -0.0803 24 ASP o CG ? ? 1 +44260 O OD1 . ASP AG 21 0.6507 1.6975 1.6684 0.2353 -0.0565 -0.0752 24 ASP o OD1 ? ? 1 +44261 O OD2 . ASP AG 21 0.6973 1.7820 1.7528 0.2276 -0.0555 -0.0821 24 ASP o OD2 ? ? 1 +44262 C C . ASP AG 21 0.6788 1.7520 1.7142 0.2755 -0.0733 -0.0873 24 ASP o C ? ? 1 +44263 O O . ASP AG 21 0.7077 1.7904 1.7507 0.2789 -0.0823 -0.0900 24 ASP o O ? ? 1 +44264 N N . THR AG 22 0.6808 1.7549 1.7163 0.2837 -0.0686 -0.0886 25 THR o N ? ? 1 +44265 C CA . THR AG 22 0.7091 1.7937 1.7521 0.2979 -0.0743 -0.0931 25 THR o CA ? ? 1 +44266 C CB . THR AG 22 0.7119 1.7995 1.7575 0.3049 -0.0665 -0.0947 25 THR o CB ? ? 1 +44267 O OG1 . THR AG 22 0.7216 1.7835 1.7420 0.3117 -0.0667 -0.0907 25 THR o OG1 ? ? 1 +44268 C CG2 . THR AG 22 0.7018 1.7977 1.7577 0.2945 -0.0546 -0.0946 25 THR o CG2 ? ? 1 +44269 C C . THR AG 22 0.7331 1.7991 1.7560 0.3074 -0.0842 -0.0910 25 THR o C ? ? 1 +44270 O O . THR AG 22 0.7701 1.8455 1.7996 0.3173 -0.0928 -0.0946 25 THR o O ? ? 1 +44271 N N . ALA AG 23 0.7207 1.7599 1.7189 0.3042 -0.0828 -0.0851 26 ALA o N ? ? 1 +44272 C CA . ALA AG 23 0.7155 1.7337 1.6919 0.3123 -0.0907 -0.0823 26 ALA o CA ? ? 1 +44273 C CB . ALA AG 23 0.6984 1.6892 1.6503 0.3079 -0.0856 -0.0762 26 ALA o CB ? ? 1 +44274 C C . ALA AG 23 0.7264 1.7460 1.7030 0.3105 -0.1006 -0.0825 26 ALA o C ? ? 1 +44275 O O . ALA AG 23 0.7189 1.7238 1.6826 0.3021 -0.1012 -0.0782 26 ALA o O ? ? 1 +44276 N N . ARG AG 24 0.7552 1.7926 1.7463 0.3188 -0.1083 -0.0875 27 ARG o N ? ? 1 +44277 C CA . ARG AG 24 0.7601 1.7990 1.7508 0.3198 -0.1189 -0.0883 27 ARG o CA ? ? 1 +44278 C CB . ARG AG 24 0.8043 1.8716 1.8224 0.3139 -0.1204 -0.0934 27 ARG o CB ? ? 1 +44279 C CG . ARG AG 24 0.8530 1.9262 1.8802 0.2981 -0.1117 -0.0920 27 ARG o CG ? ? 1 +44280 C CD . ARG AG 24 0.9288 1.9856 1.9414 0.2882 -0.1137 -0.0873 27 ARG o CD ? ? 1 +44281 N NE . ARG AG 24 0.9705 2.0407 1.9984 0.2747 -0.1098 -0.0881 27 ARG o NE ? ? 1 +44282 C CZ . ARG AG 24 0.9799 2.0615 2.0183 0.2706 -0.1162 -0.0905 27 ARG o CZ ? ? 1 +44283 N NH1 . ARG AG 24 0.9780 2.0639 2.0174 0.2795 -0.1270 -0.0933 27 ARG o NH1 ? ? 1 +44284 N NH2 . ARG AG 24 0.9655 2.0542 2.0134 0.2574 -0.1118 -0.0901 27 ARG o NH2 ? ? 1 +44285 C C . ARG AG 24 0.7230 1.7570 1.7055 0.3355 -0.1284 -0.0900 27 ARG o C ? ? 1 +44286 O O . ARG AG 24 0.7404 1.7793 1.7253 0.3388 -0.1380 -0.0919 27 ARG o O ? ? 1 +44287 N N . GLY AG 25 0.6789 1.7019 1.6505 0.3450 -0.1258 -0.0891 28 GLY o N ? ? 1 +44288 C CA . GLY AG 25 0.6531 1.6720 1.6176 0.3608 -0.1338 -0.0910 28 GLY o CA ? ? 1 +44289 C C . GLY AG 25 0.6325 1.6263 1.5715 0.3647 -0.1416 -0.0868 28 GLY o C ? ? 1 +44290 O O . GLY AG 25 0.6047 1.5903 1.5365 0.3556 -0.1435 -0.0839 28 GLY o O ? ? 1 +44291 N N . ALA AG 26 0.6350 1.6163 1.5601 0.3785 -0.1458 -0.0867 29 ALA o N ? ? 1 +44292 C CA . ALA AG 26 0.6441 1.6033 1.5461 0.3847 -0.1542 -0.0836 29 ALA o CA ? ? 1 +44293 C CB . ALA AG 26 0.6576 1.6311 1.5693 0.3947 -0.1658 -0.0882 29 ALA o CB ? ? 1 +44294 C C . ALA AG 26 0.6505 1.5864 1.5305 0.3940 -0.1520 -0.0807 29 ALA o C ? ? 1 +44295 O O . ALA AG 26 0.6614 1.6048 1.5480 0.4035 -0.1502 -0.0836 29 ALA o O ? ? 1 +44296 N N . TYR AG 27 0.6457 1.5535 1.4998 0.3912 -0.1522 -0.0750 30 TYR o N ? ? 1 +44297 C CA . TYR AG 27 0.6521 1.5353 1.4834 0.3990 -0.1501 -0.0718 30 TYR o CA ? ? 1 +44298 C CB . TYR AG 27 0.6342 1.4962 1.4489 0.3873 -0.1419 -0.0660 30 TYR o CB ? ? 1 +44299 C CG . TYR AG 27 0.6379 1.4756 1.4308 0.3938 -0.1383 -0.0631 30 TYR o CG ? ? 1 +44300 C CD1 . TYR AG 27 0.6302 1.4725 1.4288 0.3968 -0.1309 -0.0646 30 TYR o CD1 ? ? 1 +44301 C CD2 . TYR AG 27 0.6504 1.4605 1.4169 0.3970 -0.1421 -0.0588 30 TYR o CD2 ? ? 1 +44302 C CE1 . TYR AG 27 0.6448 1.4644 1.4231 0.4028 -0.1277 -0.0621 30 TYR o CE1 ? ? 1 +44303 C CE2 . TYR AG 27 0.6668 1.4540 1.4130 0.4027 -0.1387 -0.0561 30 TYR o CE2 ? ? 1 +44304 C CZ . TYR AG 27 0.6644 1.4565 1.4167 0.4057 -0.1317 -0.0579 30 TYR o CZ ? ? 1 +44305 O OH . TYR AG 27 0.6824 1.4518 1.4147 0.4112 -0.1282 -0.0555 30 TYR o OH ? ? 1 +44306 C C . TYR AG 27 0.6725 1.5392 1.4852 0.4106 -0.1601 -0.0707 30 TYR o C ? ? 1 +44307 O O . TYR AG 27 0.6860 1.5362 1.4827 0.4061 -0.1635 -0.0669 30 TYR o O ? ? 1 +44308 N N . PRO AG 28 0.6712 1.5412 1.4846 0.4260 -0.1649 -0.0740 31 PRO o N ? ? 1 +44309 C CA . PRO AG 28 0.6911 1.5472 1.4880 0.4380 -0.1751 -0.0734 31 PRO o CA ? ? 1 +44310 C CB . PRO AG 28 0.6947 1.5631 1.5011 0.4539 -0.1783 -0.0784 31 PRO o CB ? ? 1 +44311 C CG . PRO AG 28 0.6762 1.5716 1.5099 0.4490 -0.1710 -0.0825 31 PRO o CG ? ? 1 +44312 C CD . PRO AG 28 0.6688 1.5557 1.4984 0.4331 -0.1608 -0.0783 31 PRO o CD ? ? 1 +44313 C C . PRO AG 28 0.7055 1.5265 1.4704 0.4382 -0.1741 -0.0672 31 PRO o C ? ? 1 +44314 O O . PRO AG 28 0.7044 1.5108 1.4581 0.4381 -0.1669 -0.0648 31 PRO o O ? ? 1 +44315 N N . ILE AG 29 0.7181 1.5257 1.4684 0.4382 -0.1813 -0.0647 32 ILE o N ? ? 1 +44316 C CA . ILE AG 29 0.7443 1.5187 1.4638 0.4398 -0.1817 -0.0592 32 ILE o CA ? ? 1 +44317 C CB . ILE AG 29 0.7405 1.5049 1.4505 0.4287 -0.1838 -0.0555 32 ILE o CB ? ? 1 +44318 C CG1 . ILE AG 29 0.7174 1.4876 1.4365 0.4116 -0.1749 -0.0536 32 ILE o CG1 ? ? 1 +44319 C CG2 . ILE AG 29 0.7619 1.4931 1.4403 0.4321 -0.1860 -0.0503 32 ILE o CG2 ? ? 1 +44320 C CD1 . ILE AG 29 0.7163 1.4705 1.4242 0.4067 -0.1654 -0.0502 32 ILE o CD1 ? ? 1 +44321 C C . ILE AG 29 0.7759 1.5398 1.4821 0.4571 -0.1901 -0.0602 32 ILE o C ? ? 1 +44322 O O . ILE AG 29 0.7724 1.5470 1.4848 0.4640 -0.1995 -0.0631 32 ILE o O ? ? 1 +44323 N N . ASP AG 30 0.8213 1.5641 1.5092 0.4640 -0.1867 -0.0580 33 ASP o N ? ? 1 +44324 C CA . ASP AG 30 0.8739 1.6008 1.5442 0.4800 -0.1937 -0.0579 33 ASP o CA ? ? 1 +44325 C CB . ASP AG 30 0.8953 1.6186 1.5638 0.4892 -0.1889 -0.0592 33 ASP o CB ? ? 1 +44326 C CG . ASP AG 30 0.9437 1.6511 1.5949 0.5067 -0.1956 -0.0595 33 ASP o CG ? ? 1 +44327 O OD1 . ASP AG 30 0.9748 1.6696 1.6112 0.5114 -0.2037 -0.0578 33 ASP o OD1 ? ? 1 +44328 O OD2 . ASP AG 30 0.9750 1.6824 1.6270 0.5158 -0.1928 -0.0614 33 ASP o OD2 ? ? 1 +44329 C C . ASP AG 30 0.9103 1.6045 1.5501 0.4778 -0.1952 -0.0519 33 ASP o C ? ? 1 +44330 O O . ASP AG 30 0.9332 1.6058 1.5563 0.4723 -0.1879 -0.0477 33 ASP o O ? ? 1 +44331 N N . SER AG 31 0.9342 1.6249 1.5669 0.4825 -0.2047 -0.0518 34 SER o N ? ? 1 +44332 C CA . SER AG 31 0.9631 1.6251 1.5686 0.4798 -0.2066 -0.0464 34 SER o CA ? ? 1 +44333 C CB . SER AG 31 0.9839 1.6499 1.5880 0.4859 -0.2179 -0.0478 34 SER o CB ? ? 1 +44334 O OG . SER AG 31 1.0197 1.6563 1.5957 0.4849 -0.2199 -0.0425 34 SER o OG ? ? 1 +44335 C C . SER AG 31 0.9812 1.6118 1.5587 0.4879 -0.2048 -0.0427 34 SER o C ? ? 1 +44336 O O . SER AG 31 0.9694 1.5739 1.5233 0.4836 -0.2038 -0.0377 34 SER o O ? ? 1 +44337 N N . SER AG 32 1.0041 1.6374 1.5841 0.4998 -0.2044 -0.0454 35 SER o N ? ? 1 +44338 C CA . SER AG 32 1.0341 1.6385 1.5886 0.5080 -0.2024 -0.0424 35 SER o CA ? ? 1 +44339 C CB . SER AG 32 1.0421 1.6532 1.6004 0.5262 -0.2078 -0.0466 35 SER o CB ? ? 1 +44340 O OG . SER AG 32 1.0344 1.6696 1.6167 0.5264 -0.2028 -0.0509 35 SER o OG ? ? 1 +44341 C C . SER AG 32 1.0303 1.6233 1.5796 0.4987 -0.1909 -0.0397 35 SER o C ? ? 1 +44342 O O . SER AG 32 1.0662 1.6341 1.5939 0.5041 -0.1883 -0.0371 35 SER o O ? ? 1 +44343 N N . GLN AG 33 0.9918 1.6027 1.5602 0.4851 -0.1842 -0.0405 36 GLN o N ? ? 1 +44344 C CA . GLN AG 33 0.9645 1.5679 1.5306 0.4763 -0.1735 -0.0386 36 GLN o CA ? ? 1 +44345 C CB . GLN AG 33 0.9659 1.5976 1.5593 0.4759 -0.1688 -0.0433 36 GLN o CB ? ? 1 +44346 C CG . GLN AG 33 0.9829 1.6030 1.5693 0.4748 -0.1596 -0.0422 36 GLN o CG ? ? 1 +44347 C CD . GLN AG 33 0.9934 1.6358 1.6002 0.4824 -0.1577 -0.0474 36 GLN o CD ? ? 1 +44348 O OE1 . GLN AG 33 0.9930 1.6614 1.6242 0.4756 -0.1547 -0.0503 36 GLN o OE1 ? ? 1 +44349 N NE2 . GLN AG 33 1.0184 1.6510 1.6155 0.4968 -0.1592 -0.0487 36 GLN o NE2 ? ? 1 +44350 C C . GLN AG 33 0.8957 1.4898 1.4558 0.4592 -0.1683 -0.0342 36 GLN o C ? ? 1 +44351 O O . GLN AG 33 0.8607 1.4630 1.4268 0.4527 -0.1720 -0.0338 36 GLN o O ? ? 1 +44352 N N . THR AG 34 0.8683 1.4446 1.4159 0.4524 -0.1598 -0.0310 37 THR o N ? ? 1 +44353 C CA . THR AG 34 0.8545 1.4242 1.3989 0.4358 -0.1537 -0.0274 37 THR o CA ? ? 1 +44354 C CB . THR AG 34 0.8789 1.4148 1.3950 0.4332 -0.1492 -0.0225 37 THR o CB ? ? 1 +44355 O OG1 . THR AG 34 0.9079 1.4321 1.4136 0.4459 -0.1490 -0.0235 37 THR o OG1 ? ? 1 +44356 C CG2 . THR AG 34 0.8887 1.4036 1.3842 0.4316 -0.1539 -0.0185 37 THR o CG2 ? ? 1 +44357 C C . THR AG 34 0.8028 1.3938 1.3694 0.4260 -0.1461 -0.0295 37 THR o C ? ? 1 +44358 O O . THR AG 34 0.8067 1.4009 1.3778 0.4298 -0.1413 -0.0313 37 THR o O ? ? 1 +44359 N N . TYR AG 35 0.7528 1.3573 1.3321 0.4134 -0.1450 -0.0290 38 TYR o N ? ? 1 +44360 C CA . TYR AG 35 0.7111 1.3360 1.3114 0.4032 -0.1381 -0.0308 38 TYR o CA ? ? 1 +44361 C CB . TYR AG 35 0.6875 1.3415 1.3125 0.4007 -0.1425 -0.0342 38 TYR o CB ? ? 1 +44362 C CG . TYR AG 35 0.6873 1.3603 1.3268 0.4142 -0.1485 -0.0393 38 TYR o CG ? ? 1 +44363 C CD1 . TYR AG 35 0.7000 1.3676 1.3310 0.4258 -0.1579 -0.0400 38 TYR o CD1 ? ? 1 +44364 C CD2 . TYR AG 35 0.6725 1.3691 1.3344 0.4155 -0.1447 -0.0436 38 TYR o CD2 ? ? 1 +44365 C CE1 . TYR AG 35 0.7067 1.3925 1.3517 0.4384 -0.1638 -0.0449 38 TYR o CE1 ? ? 1 +44366 C CE2 . TYR AG 35 0.6765 1.3915 1.3528 0.4278 -0.1501 -0.0485 38 TYR o CE2 ? ? 1 +44367 C CZ . TYR AG 35 0.6957 1.4055 1.3637 0.4394 -0.1599 -0.0493 38 TYR o CZ ? ? 1 +44368 O OH . TYR AG 35 0.6920 1.4208 1.3749 0.4519 -0.1656 -0.0544 38 TYR o OH ? ? 1 +44369 C C . TYR AG 35 0.6926 1.3049 1.2847 0.3880 -0.1308 -0.0266 38 TYR o C ? ? 1 +44370 O O . TYR AG 35 0.6871 1.2803 1.2619 0.3834 -0.1321 -0.0227 38 TYR o O ? ? 1 +44371 N N . ARG AG 36 0.6699 1.2937 1.2750 0.3805 -0.1232 -0.0276 39 ARG o N ? ? 1 +44372 C CA . ARG AG 36 0.6494 1.2633 1.2486 0.3665 -0.1159 -0.0242 39 ARG o CA ? ? 1 +44373 C CB . ARG AG 36 0.6740 1.2691 1.2583 0.3689 -0.1099 -0.0229 39 ARG o CB ? ? 1 +44374 C CG . ARG AG 36 0.6867 1.2632 1.2571 0.3569 -0.1039 -0.0188 39 ARG o CG ? ? 1 +44375 C CD . ARG AG 36 0.7143 1.2692 1.2670 0.3610 -0.0994 -0.0176 39 ARG o CD ? ? 1 +44376 N NE . ARG AG 36 0.7301 1.2687 1.2709 0.3489 -0.0934 -0.0140 39 ARG o NE ? ? 1 +44377 C CZ . ARG AG 36 0.7359 1.2572 1.2617 0.3424 -0.0946 -0.0102 39 ARG o CZ ? ? 1 +44378 N NH1 . ARG AG 36 0.7493 1.2623 1.2656 0.3478 -0.1013 -0.0091 39 ARG o NH1 ? ? 1 +44379 N NH2 . ARG AG 36 0.7230 1.2349 1.2430 0.3304 -0.0888 -0.0076 39 ARG o NH2 ? ? 1 +44380 C C . ARG AG 36 0.6042 1.2427 1.2270 0.3562 -0.1115 -0.0261 39 ARG o C ? ? 1 +44381 O O . ARG AG 36 0.6012 1.2601 1.2422 0.3601 -0.1101 -0.0300 39 ARG o O ? ? 1 +44382 N N . ILE AG 37 0.5746 1.2113 1.1970 0.3430 -0.1093 -0.0234 40 ILE o N ? ? 1 +44383 C CA . ILE AG 37 0.5411 1.1956 1.1815 0.3317 -0.1036 -0.0242 40 ILE o CA ? ? 1 +44384 C CB . ILE AG 37 0.5253 1.1848 1.1703 0.3205 -0.1054 -0.0225 40 ILE o CB ? ? 1 +44385 C CG1 . ILE AG 37 0.5250 1.1991 1.1802 0.3265 -0.1141 -0.0250 40 ILE o CG1 ? ? 1 +44386 C CG2 . ILE AG 37 0.5022 1.1765 1.1628 0.3080 -0.0987 -0.0227 40 ILE o CG2 ? ? 1 +44387 C CD1 . ILE AG 37 0.5116 1.1945 1.1747 0.3165 -0.1160 -0.0242 40 ILE o CD1 ? ? 1 +44388 C C . ILE AG 37 0.5296 1.1715 1.1612 0.3263 -0.0952 -0.0223 40 ILE o C ? ? 1 +44389 O O . ILE AG 37 0.5253 1.1471 1.1403 0.3197 -0.0929 -0.0185 40 ILE o O ? ? 1 +44390 N N . ALA AG 38 0.5173 1.1711 1.1603 0.3295 -0.0906 -0.0252 41 ALA o N ? ? 1 +44391 C CA . ALA AG 38 0.5104 1.1529 1.1453 0.3263 -0.0829 -0.0241 41 ALA o CA ? ? 1 +44392 C CB . ALA AG 38 0.5134 1.1676 1.1585 0.3353 -0.0802 -0.0279 41 ALA o CB ? ? 1 +44393 C C . ALA AG 38 0.4838 1.1308 1.1249 0.3116 -0.0767 -0.0224 41 ALA o C ? ? 1 +44394 O O . ALA AG 38 0.4858 1.1167 1.1141 0.3060 -0.0716 -0.0199 41 ALA o O ? ? 1 +44395 N N . ARG AG 39 0.4582 1.1273 1.1189 0.3057 -0.0773 -0.0239 42 ARG o N ? ? 1 +44396 C CA . ARG AG 39 0.4360 1.1113 1.1041 0.2920 -0.0720 -0.0225 42 ARG o CA ? ? 1 +44397 C CB . ARG AG 39 0.4253 1.1151 1.1073 0.2904 -0.0650 -0.0250 42 ARG o CB ? ? 1 +44398 C CG . ARG AG 39 0.4065 1.1027 1.0960 0.2766 -0.0595 -0.0236 42 ARG o CG ? ? 1 +44399 C CD . ARG AG 39 0.3976 1.1071 1.0996 0.2750 -0.0523 -0.0258 42 ARG o CD ? ? 1 +44400 N NE . ARG AG 39 0.3820 1.0958 1.0894 0.2619 -0.0473 -0.0241 42 ARG o NE ? ? 1 +44401 C CZ . ARG AG 39 0.3723 1.0975 1.0905 0.2577 -0.0406 -0.0254 42 ARG o CZ ? ? 1 +44402 N NH1 . ARG AG 39 0.3759 1.1105 1.1020 0.2651 -0.0377 -0.0286 42 ARG o NH1 ? ? 1 +44403 N NH2 . ARG AG 39 0.3583 1.0859 1.0799 0.2459 -0.0367 -0.0236 42 ARG o NH2 ? ? 1 +44404 C C . ARG AG 39 0.4196 1.1105 1.1012 0.2863 -0.0761 -0.0229 42 ARG o C ? ? 1 +44405 O O . ARG AG 39 0.4180 1.1291 1.1167 0.2909 -0.0791 -0.0264 42 ARG o O ? ? 1 +44406 N N . LEU AG 40 0.4075 1.0886 1.0811 0.2767 -0.0764 -0.0196 43 LEU o N ? ? 1 +44407 C CA . LEU AG 40 0.3898 1.0845 1.0755 0.2693 -0.0791 -0.0196 43 LEU o CA ? ? 1 +44408 C CB . LEU AG 40 0.3957 1.0782 1.0691 0.2703 -0.0859 -0.0175 43 LEU o CB ? ? 1 +44409 C CG . LEU AG 40 0.3816 1.0745 1.0643 0.2616 -0.0884 -0.0170 43 LEU o CG ? ? 1 +44410 C CD1 . LEU AG 40 0.3734 1.0924 1.0787 0.2644 -0.0916 -0.0212 43 LEU o CD1 ? ? 1 +44411 C CD2 . LEU AG 40 0.3894 1.0668 1.0568 0.2623 -0.0942 -0.0144 43 LEU o CD2 ? ? 1 +44412 C C . LEU AG 40 0.3740 1.0704 1.0634 0.2560 -0.0727 -0.0177 43 LEU o C ? ? 1 +44413 O O . LEU AG 40 0.3750 1.0537 1.0497 0.2506 -0.0693 -0.0146 43 LEU o O ? ? 1 +44414 N N . CYS AG 41 0.3568 1.0748 1.0661 0.2507 -0.0713 -0.0198 44 CYS o N ? ? 1 +44415 C CA . CYS AG 41 0.3410 1.0639 1.0567 0.2390 -0.0650 -0.0186 44 CYS o CA ? ? 1 +44416 C CB . CYS AG 41 0.3381 1.0745 1.0665 0.2400 -0.0589 -0.0213 44 CYS o CB ? ? 1 +44417 S SG . CYS AG 41 0.3266 1.0652 1.0590 0.2266 -0.0502 -0.0195 44 CYS o SG ? ? 1 +44418 C C . CYS AG 41 0.3255 1.0613 1.0530 0.2317 -0.0679 -0.0188 44 CYS o C ? ? 1 +44419 O O . CYS AG 41 0.3195 1.0724 1.0615 0.2355 -0.0718 -0.0218 44 CYS o O ? ? 1 +44420 N N . LEU AG 42 0.3166 1.0438 1.0375 0.2214 -0.0661 -0.0156 45 LEU o N ? ? 1 +44421 C CA . LEU AG 42 0.3036 1.0414 1.0345 0.2135 -0.0681 -0.0154 45 LEU o CA ? ? 1 +44422 C CB . LEU AG 42 0.3090 1.0321 1.0260 0.2119 -0.0732 -0.0126 45 LEU o CB ? ? 1 +44423 C CG . LEU AG 42 0.3198 1.0401 1.0319 0.2219 -0.0808 -0.0137 45 LEU o CG ? ? 1 +44424 C CD1 . LEU AG 42 0.3369 1.0388 1.0317 0.2298 -0.0809 -0.0125 45 LEU o CD1 ? ? 1 +44425 C CD2 . LEU AG 42 0.3186 1.0336 1.0252 0.2180 -0.0858 -0.0119 45 LEU o CD2 ? ? 1 +44426 C C . LEU AG 42 0.2912 1.0329 1.0277 0.2023 -0.0613 -0.0141 45 LEU o C ? ? 1 +44427 O O . LEU AG 42 0.2905 1.0174 1.0146 0.1974 -0.0576 -0.0112 45 LEU o O ? ? 1 +44428 N N . GLN AG 43 0.2799 1.0418 1.0353 0.1983 -0.0601 -0.0164 46 GLN o N ? ? 1 +44429 C CA . GLN AG 43 0.2675 1.0352 1.0299 0.1881 -0.0538 -0.0156 46 GLN o CA ? ? 1 +44430 C CB . GLN AG 43 0.2656 1.0496 1.0431 0.1901 -0.0489 -0.0187 46 GLN o CB ? ? 1 +44431 C CG . GLN AG 43 0.2547 1.0472 1.0416 0.1800 -0.0425 -0.0182 46 GLN o CG ? ? 1 +44432 C CD . GLN AG 43 0.2516 1.0622 1.0550 0.1826 -0.0385 -0.0218 46 GLN o CD ? ? 1 +44433 O OE1 . GLN AG 43 0.2613 1.0736 1.0652 0.1914 -0.0383 -0.0238 46 GLN o OE1 ? ? 1 +44434 N NE2 . GLN AG 43 0.2411 1.0653 1.0581 0.1750 -0.0349 -0.0225 46 GLN o NE2 ? ? 1 +44435 C C . GLN AG 43 0.2561 1.0323 1.0268 0.1803 -0.0563 -0.0152 46 GLN o C ? ? 1 +44436 O O . GLN AG 43 0.2493 1.0425 1.0353 0.1814 -0.0590 -0.0181 46 GLN o O ? ? 1 +44437 N N . PRO AG 44 0.2539 1.0185 1.0151 0.1722 -0.0555 -0.0119 47 PRO o N ? ? 1 +44438 C CA . PRO AG 44 0.2446 1.0162 1.0129 0.1646 -0.0576 -0.0114 47 PRO o CA ? ? 1 +44439 C CB . PRO AG 44 0.2449 0.9982 0.9972 0.1585 -0.0570 -0.0074 47 PRO o CB ? ? 1 +44440 C CG . PRO AG 44 0.2504 0.9914 0.9918 0.1597 -0.0521 -0.0060 47 PRO o CG ? ? 1 +44441 C CD . PRO AG 44 0.2588 1.0032 1.0021 0.1698 -0.0526 -0.0085 47 PRO o CD ? ? 1 +44442 C C . PRO AG 44 0.2350 1.0232 1.0199 0.1581 -0.0525 -0.0129 47 PRO o C ? ? 1 +44443 O O . PRO AG 44 0.2349 1.0225 1.0199 0.1562 -0.0463 -0.0126 47 PRO o O ? ? 1 +44444 N N . THR AG 45 0.2296 1.0321 1.0279 0.1548 -0.0552 -0.0147 48 THR o N ? ? 1 +44445 C CA . THR AG 45 0.2203 1.0375 1.0338 0.1475 -0.0504 -0.0159 48 THR o CA ? ? 1 +44446 C CB . THR AG 45 0.2159 1.0540 1.0484 0.1514 -0.0517 -0.0203 48 THR o CB ? ? 1 +44447 O OG1 . THR AG 45 0.2166 1.0599 1.0531 0.1529 -0.0590 -0.0217 48 THR o OG1 ? ? 1 +44448 C CG2 . THR AG 45 0.2227 1.0633 1.0562 0.1611 -0.0510 -0.0225 48 THR o CG2 ? ? 1 +44449 C C . THR AG 45 0.2154 1.0320 1.0296 0.1381 -0.0512 -0.0141 48 THR o C ? ? 1 +44450 O O . THR AG 45 0.2140 1.0366 1.0354 0.1305 -0.0463 -0.0137 48 THR o O ? ? 1 +44451 N N . THR AG 46 0.2218 1.0312 1.0286 0.1388 -0.0573 -0.0131 49 THR o N ? ? 1 +44452 C CA . THR AG 46 0.2155 1.0235 1.0221 0.1304 -0.0584 -0.0114 49 THR o CA ? ? 1 +44453 C CB . THR AG 46 0.2102 1.0350 1.0323 0.1302 -0.0627 -0.0146 49 THR o CB ? ? 1 +44454 O OG1 . THR AG 46 0.2084 1.0497 1.0462 0.1320 -0.0595 -0.0179 49 THR o OG1 ? ? 1 +44455 C CG2 . THR AG 46 0.2006 1.0273 1.0259 0.1209 -0.0627 -0.0135 49 THR o CG2 ? ? 1 +44456 C C . THR AG 46 0.2218 1.0116 1.0109 0.1307 -0.0620 -0.0083 49 THR o C ? ? 1 +44457 O O . THR AG 46 0.2298 1.0131 1.0111 0.1383 -0.0667 -0.0086 49 THR o O ? ? 1 +44458 N N . PHE AG 47 0.2213 1.0030 1.0043 0.1225 -0.0596 -0.0054 50 PHE o N ? ? 1 +44459 C CA . PHE AG 47 0.2275 0.9931 0.9951 0.1215 -0.0625 -0.0025 50 PHE o CA ? ? 1 +44460 C CB . PHE AG 47 0.2270 0.9773 0.9815 0.1180 -0.0577 0.0007 50 PHE o CB ? ? 1 +44461 C CG . PHE AG 47 0.2326 0.9760 0.9801 0.1245 -0.0556 0.0006 50 PHE o CG ? ? 1 +44462 C CD1 . PHE AG 47 0.2275 0.9783 0.9823 0.1246 -0.0505 -0.0006 50 PHE o CD1 ? ? 1 +44463 C CD2 . PHE AG 47 0.2434 0.9727 0.9768 0.1306 -0.0587 0.0017 50 PHE o CD2 ? ? 1 +44464 C CE1 . PHE AG 47 0.2339 0.9779 0.9818 0.1307 -0.0485 -0.0008 50 PHE o CE1 ? ? 1 +44465 C CE2 . PHE AG 47 0.2501 0.9727 0.9769 0.1368 -0.0568 0.0014 50 PHE o CE2 ? ? 1 +44466 C CZ . PHE AG 47 0.2453 0.9753 0.9793 0.1367 -0.0517 0.0002 50 PHE o CZ ? ? 1 +44467 C C . PHE AG 47 0.2288 0.9986 1.0010 0.1147 -0.0647 -0.0022 50 PHE o C ? ? 1 +44468 O O . PHE AG 47 0.2249 0.9998 1.0036 0.1071 -0.0609 -0.0017 50 PHE o O ? ? 1 +44469 N N . LEU AG 48 0.2437 1.0106 1.0118 0.1178 -0.0710 -0.0025 51 LEU o N ? ? 1 +44470 C CA . LEU AG 48 0.2499 1.0196 1.0209 0.1121 -0.0736 -0.0023 51 LEU o CA ? ? 1 +44471 C CB . LEU AG 48 0.2507 1.0335 1.0323 0.1164 -0.0797 -0.0058 51 LEU o CB ? ? 1 +44472 C CG . LEU AG 48 0.2484 1.0495 1.0475 0.1183 -0.0783 -0.0094 51 LEU o CG ? ? 1 +44473 C CD1 . LEU AG 48 0.2552 1.0672 1.0624 0.1245 -0.0850 -0.0129 51 LEU o CD1 ? ? 1 +44474 C CD2 . LEU AG 48 0.2356 1.0470 1.0467 0.1094 -0.0737 -0.0098 51 LEU o CD2 ? ? 1 +44475 C C . LEU AG 48 0.2681 1.0202 1.0223 0.1110 -0.0754 0.0009 51 LEU o C ? ? 1 +44476 O O . LEU AG 48 0.2826 1.0239 1.0252 0.1174 -0.0781 0.0016 51 LEU o O ? ? 1 +44477 N N . VAL AG 49 0.2776 1.0269 1.0305 0.1029 -0.0737 0.0027 52 VAL o N ? ? 1 +44478 C CA . VAL AG 49 0.3025 1.0367 1.0411 0.1009 -0.0751 0.0055 52 VAL o CA ? ? 1 +44479 C CB . VAL AG 49 0.2986 1.0238 1.0309 0.0940 -0.0694 0.0085 52 VAL o CB ? ? 1 +44480 C CG1 . VAL AG 49 0.3040 1.0154 1.0235 0.0909 -0.0706 0.0112 52 VAL o CG1 ? ? 1 +44481 C CG2 . VAL AG 49 0.3013 1.0203 1.0283 0.0969 -0.0656 0.0092 52 VAL o CG2 ? ? 1 +44482 C C . VAL AG 49 0.3283 1.0670 1.0705 0.0983 -0.0795 0.0047 52 VAL o C ? ? 1 +44483 O O . VAL AG 49 0.3053 1.0554 1.0594 0.0930 -0.0785 0.0035 52 VAL o O ? ? 1 +44484 N N . LYS AG 50 0.3880 1.1170 1.1192 0.1020 -0.0841 0.0055 53 LYS o N ? ? 1 +44485 C CA . LYS AG 50 0.4427 1.1729 1.1743 0.0996 -0.0883 0.0051 53 LYS o CA ? ? 1 +44486 C CB . LYS AG 50 0.4741 1.1949 1.1939 0.1066 -0.0940 0.0052 53 LYS o CB ? ? 1 +44487 C CG . LYS AG 50 0.5070 1.2281 1.2257 0.1046 -0.0985 0.0048 53 LYS o CG ? ? 1 +44488 C CD . LYS AG 50 0.5450 1.2561 1.2512 0.1118 -0.1043 0.0050 53 LYS o CD ? ? 1 +44489 C CE . LYS AG 50 0.5797 1.3011 1.2931 0.1198 -0.1098 0.0015 53 LYS o CE ? ? 1 +44490 N NZ . LYS AG 50 0.6208 1.3357 1.3247 0.1251 -0.1165 0.0012 53 LYS o NZ ? ? 1 +44491 C C . LYS AG 50 0.5069 1.2297 1.2334 0.0912 -0.0848 0.0078 53 LYS o C ? ? 1 +44492 O O . LYS AG 50 0.4960 1.2053 1.2105 0.0899 -0.0821 0.0106 53 LYS o O ? ? 1 +44493 N N . GLU AG 51 0.6157 1.3476 1.3517 0.0853 -0.0850 0.0069 54 GLU o N ? ? 1 +44494 C CA . GLU AG 51 0.7197 1.4453 1.4514 0.0777 -0.0822 0.0092 54 GLU o CA ? ? 1 +44495 C CB . GLU AG 51 0.7496 1.4873 1.4950 0.0707 -0.0792 0.0082 54 GLU o CB ? ? 1 +44496 C CG . GLU AG 51 0.8069 1.5583 1.5647 0.0705 -0.0831 0.0050 54 GLU o CG ? ? 1 +44497 C CD . GLU AG 51 0.8563 1.6189 1.6272 0.0635 -0.0796 0.0041 54 GLU o CD ? ? 1 +44498 O OE1 . GLU AG 51 0.8078 1.5667 1.5773 0.0585 -0.0742 0.0062 54 GLU o OE1 ? ? 1 +44499 O OE2 . GLU AG 51 0.8908 1.6658 1.6734 0.0632 -0.0822 0.0011 54 GLU o OE2 ? ? 1 +44500 C C . GLU AG 51 0.8149 1.5329 1.5378 0.0783 -0.0867 0.0098 54 GLU o C ? ? 1 +44501 O O . GLU AG 51 0.8490 1.5724 1.5749 0.0825 -0.0920 0.0075 54 GLU o O ? ? 1 +44502 N N . GLU AG 52 0.9034 1.6091 1.6155 0.0743 -0.0844 0.0127 55 GLU o N ? ? 1 +44503 C CA . GLU AG 52 1.0047 1.7020 1.7075 0.0738 -0.0874 0.0136 55 GLU o CA ? ? 1 +44504 C CB . GLU AG 52 1.0817 1.7631 1.7703 0.0713 -0.0840 0.0170 55 GLU o CB ? ? 1 +44505 C CG . GLU AG 52 1.1541 1.8232 1.8299 0.0774 -0.0846 0.0183 55 GLU o CG ? ? 1 +44506 C CD . GLU AG 52 1.1732 1.8425 1.8504 0.0797 -0.0814 0.0184 55 GLU o CD ? ? 1 +44507 O OE1 . GLU AG 52 1.2159 1.8973 1.9055 0.0784 -0.0798 0.0169 55 GLU o OE1 ? ? 1 +44508 O OE2 . GLU AG 52 1.1007 1.7574 1.7658 0.0825 -0.0804 0.0201 55 GLU o OE2 ? ? 1 +44509 C C . GLU AG 52 1.0167 1.7211 1.7269 0.0678 -0.0881 0.0127 55 GLU o C ? ? 1 +44510 O O . GLU AG 52 0.9275 1.6331 1.6413 0.0612 -0.0838 0.0139 55 GLU o O ? ? 1 +44511 N N . PRO AG 53 1.1207 1.8295 1.8331 0.0700 -0.0935 0.0107 56 PRO o N ? ? 1 +44512 C CA . PRO AG 53 1.1436 1.8565 1.8605 0.0644 -0.0943 0.0100 56 PRO o CA ? ? 1 +44513 C CB . PRO AG 53 1.1458 1.8652 1.8661 0.0691 -0.1011 0.0070 56 PRO o CB ? ? 1 +44514 C CG . PRO AG 53 1.1734 1.8857 1.8842 0.0774 -0.1041 0.0072 56 PRO o CG ? ? 1 +44515 C CD . PRO AG 53 1.1659 1.8760 1.8764 0.0781 -0.0993 0.0087 56 PRO o CD ? ? 1 +44516 C C . PRO AG 53 1.1803 1.8801 1.8851 0.0607 -0.0924 0.0129 56 PRO o C ? ? 1 +44517 O O . PRO AG 53 1.1831 1.8703 1.8748 0.0636 -0.0923 0.0149 56 PRO o O ? ? 1 +44518 N N . LYS AG 54 1.2117 1.9144 1.9210 0.0541 -0.0908 0.0130 57 LYS o N ? ? 1 +44519 C CA . LYS AG 54 1.2087 1.9007 1.9083 0.0502 -0.0889 0.0154 57 LYS o CA ? ? 1 +44520 C CB . LYS AG 54 1.1386 1.8359 1.8461 0.0426 -0.0855 0.0156 57 LYS o CB ? ? 1 +44521 C CG . LYS AG 54 1.0592 1.7591 1.7719 0.0393 -0.0801 0.0168 57 LYS o CG ? ? 1 +44522 C CD . LYS AG 54 1.0106 1.7169 1.7321 0.0325 -0.0773 0.0167 57 LYS o CD ? ? 1 +44523 C CE . LYS AG 54 0.9705 1.6682 1.6852 0.0277 -0.0739 0.0192 57 LYS o CE ? ? 1 +44524 N NZ . LYS AG 54 0.9086 1.6126 1.6318 0.0216 -0.0715 0.0189 57 LYS o NZ ? ? 1 +44525 C C . LYS AG 54 1.2851 1.9710 1.9761 0.0529 -0.0937 0.0149 57 LYS o C ? ? 1 +44526 O O . LYS AG 54 1.3082 1.9815 1.9864 0.0531 -0.0927 0.0171 57 LYS o O ? ? 1 +44527 N N . ASN AG 55 1.3238 2.0186 2.0216 0.0552 -0.0987 0.0119 58 ASN o N ? ? 1 +44528 C CA . ASN AG 55 1.3529 2.0435 2.0438 0.0575 -0.1037 0.0110 58 ASN o CA ? ? 1 +44529 C CB . ASN AG 55 1.3288 2.0328 2.0322 0.0564 -0.1078 0.0074 58 ASN o CB ? ? 1 +44530 C CG . ASN AG 55 1.2829 1.9967 1.9992 0.0494 -0.1041 0.0068 58 ASN o CG ? ? 1 +44531 O OD1 . ASN AG 55 1.1029 1.8126 1.8173 0.0437 -0.1008 0.0083 58 ASN o OD1 ? ? 1 +44532 N ND2 . ASN AG 55 1.3173 2.0438 2.0468 0.0498 -0.1043 0.0046 58 ASN o ND2 ? ? 1 +44533 C C . ASN AG 55 1.4421 2.1253 2.1224 0.0655 -0.1078 0.0110 58 ASN o C ? ? 1 +44534 O O . ASN AG 55 1.4845 2.1600 2.1548 0.0677 -0.1112 0.0111 58 ASN o O ? ? 1 +44535 N N . LYS AG 56 1.4705 2.1557 2.1526 0.0699 -0.1075 0.0109 59 LYS o N ? ? 1 +44536 C CA . LYS AG 56 1.4547 2.1340 2.1280 0.0782 -0.1116 0.0106 59 LYS o CA ? ? 1 +44537 C CB . LYS AG 56 1.4245 2.0861 2.0792 0.0799 -0.1116 0.0134 59 LYS o CB ? ? 1 +44538 C CG . LYS AG 56 1.3934 2.0437 2.0399 0.0768 -0.1052 0.0169 59 LYS o CG ? ? 1 +44539 C CD . LYS AG 56 1.3753 2.0196 2.0157 0.0825 -0.1045 0.0178 59 LYS o CD ? ? 1 +44540 C CE . LYS AG 56 1.3741 2.0092 2.0020 0.0904 -0.1095 0.0177 59 LYS o CE ? ? 1 +44541 N NZ . LYS AG 56 1.3675 1.9965 1.9896 0.0961 -0.1088 0.0186 59 LYS o NZ ? ? 1 +44542 C C . LYS AG 56 1.4667 2.1558 2.1464 0.0833 -0.1187 0.0070 59 LYS o C ? ? 1 +44543 O O . LYS AG 56 1.4929 2.1841 2.1730 0.0901 -0.1217 0.0058 59 LYS o O ? ? 1 +44544 N N . ARG AG 57 1.4484 2.1429 2.1328 0.0802 -0.1215 0.0051 60 ARG o N ? ? 1 +44545 C CA . ARG AG 57 1.4349 2.1379 2.1242 0.0848 -0.1288 0.0015 60 ARG o CA ? ? 1 +44546 C CB . ARG AG 57 1.4445 2.1444 2.1293 0.0821 -0.1318 0.0008 60 ARG o CB ? ? 1 +44547 C CG . ARG AG 57 1.4754 2.1569 2.1409 0.0828 -0.1308 0.0040 60 ARG o CG ? ? 1 +44548 C CD . ARG AG 57 1.4852 2.1622 2.1422 0.0861 -0.1371 0.0026 60 ARG o CD ? ? 1 +44549 N NE . ARG AG 57 1.4971 2.1849 2.1649 0.0820 -0.1398 -0.0005 60 ARG o NE ? ? 1 +44550 C CZ . ARG AG 57 1.4755 2.1632 2.1397 0.0844 -0.1460 -0.0028 60 ARG o CZ ? ? 1 +44551 N NH1 . ARG AG 57 1.5219 2.1971 2.1699 0.0902 -0.1495 -0.0018 60 ARG o NH1 ? ? 1 +44552 N NH2 . ARG AG 57 1.4142 2.1141 2.0907 0.0810 -0.1488 -0.0061 60 ARG o NH2 ? ? 1 +44553 C C . ARG AG 57 1.3714 2.0928 2.0800 0.0839 -0.1295 -0.0019 60 ARG o C ? ? 1 +44554 O O . ARG AG 57 1.2715 2.0018 1.9863 0.0885 -0.1354 -0.0052 60 ARG o O ? ? 1 +44555 N N . GLN AG 58 1.3609 2.0877 2.0786 0.0779 -0.1234 -0.0010 61 GLN o N ? ? 1 +44556 C CA . GLN AG 58 1.3412 2.0837 2.0757 0.0773 -0.1226 -0.0035 61 GLN o CA ? ? 1 +44557 C CB . GLN AG 58 1.3119 2.0584 2.0545 0.0689 -0.1157 -0.0022 61 GLN o CB ? ? 1 +44558 C CG . GLN AG 58 1.2940 2.0407 2.0382 0.0620 -0.1154 -0.0024 61 GLN o CG ? ? 1 +44559 C CD . GLN AG 58 1.3022 2.0609 2.0569 0.0621 -0.1209 -0.0065 61 GLN o CD ? ? 1 +44560 O OE1 . GLN AG 58 1.3149 2.0698 2.0634 0.0636 -0.1258 -0.0075 61 GLN o OE1 ? ? 1 +44561 N NE2 . GLN AG 58 1.2644 2.0378 2.0350 0.0605 -0.1202 -0.0092 61 GLN o NE2 ? ? 1 +44562 C C . GLN AG 58 1.3218 2.0641 2.0550 0.0842 -0.1227 -0.0034 61 GLN o C ? ? 1 +44563 O O . GLN AG 58 1.3165 2.0464 2.0378 0.0862 -0.1199 -0.0003 61 GLN o O ? ? 1 +44564 N N . GLU AG 59 1.2610 2.0173 2.0068 0.0880 -0.1259 -0.0069 62 GLU o N ? ? 1 +44565 C CA . GLU AG 59 1.1815 1.9400 1.9286 0.0947 -0.1260 -0.0074 62 GLU o CA ? ? 1 +44566 C CB . GLU AG 59 1.0966 1.8717 1.8578 0.0992 -0.1316 -0.0122 62 GLU o CB ? ? 1 +44567 C CG . GLU AG 59 1.0628 1.8474 1.8336 0.1037 -0.1302 -0.0137 62 GLU o CG ? ? 1 +44568 C CD . GLU AG 59 1.0220 1.8230 1.8066 0.1084 -0.1362 -0.0186 62 GLU o CD ? ? 1 +44569 O OE1 . GLU AG 59 0.9933 1.7918 1.7718 0.1156 -0.1431 -0.0200 62 GLU o OE1 ? ? 1 +44570 O OE2 . GLU AG 59 0.9556 1.7719 1.7571 0.1049 -0.1339 -0.0211 62 GLU o OE2 ? ? 1 +44571 C C . GLU AG 59 1.1550 1.9144 1.9064 0.0908 -0.1184 -0.0055 62 GLU o C ? ? 1 +44572 O O . GLU AG 59 1.1719 1.9403 1.9348 0.0842 -0.1147 -0.0061 62 GLU o O ? ? 1 +44573 N N . ALA AG 60 1.0878 1.8372 1.8293 0.0951 -0.1162 -0.0031 63 ALA o N ? ? 1 +44574 C CA . ALA AG 60 0.9977 1.7466 1.7415 0.0924 -0.1095 -0.0013 63 ALA o CA ? ? 1 +44575 C CB . ALA AG 60 0.9882 1.7203 1.7155 0.0958 -0.1076 0.0020 63 ALA o CB ? ? 1 +44576 C C . ALA AG 60 0.9318 1.6954 1.6900 0.0954 -0.1090 -0.0042 63 ALA o C ? ? 1 +44577 O O . ALA AG 60 0.8825 1.6530 1.6449 0.1020 -0.1142 -0.0070 63 ALA o O ? ? 1 +44578 N N . GLU AG 61 0.8590 1.6271 1.6244 0.0906 -0.1027 -0.0035 64 GLU o N ? ? 1 +44579 C CA . GLU AG 61 0.7648 1.5466 1.5440 0.0925 -0.1010 -0.0060 64 GLU o CA ? ? 1 +44580 C CB . GLU AG 61 0.8327 1.6272 1.6267 0.0847 -0.0977 -0.0074 64 GLU o CB ? ? 1 +44581 C CG . GLU AG 61 0.8957 1.6995 1.6982 0.0822 -0.1022 -0.0101 64 GLU o CG ? ? 1 +44582 C CD . GLU AG 61 0.9274 1.7396 1.7412 0.0732 -0.0979 -0.0105 64 GLU o CD ? ? 1 +44583 O OE1 . GLU AG 61 0.8867 1.6900 1.6940 0.0675 -0.0934 -0.0074 64 GLU o OE1 ? ? 1 +44584 O OE2 . GLU AG 61 0.8847 1.7120 1.7136 0.0720 -0.0990 -0.0140 64 GLU o OE2 ? ? 1 +44585 C C . GLU AG 61 0.6295 1.4051 1.4037 0.0941 -0.0957 -0.0039 64 GLU o C ? ? 1 +44586 O O . GLU AG 61 0.5759 1.3396 1.3402 0.0903 -0.0917 -0.0006 64 GLU o O ? ? 1 +44587 N N . PHE AG 62 0.5283 1.3126 1.3102 0.0996 -0.0958 -0.0061 65 PHE o N ? ? 1 +44588 C CA . PHE AG 62 0.4797 1.2609 1.2597 0.1009 -0.0904 -0.0048 65 PHE o CA ? ? 1 +44589 C CB . PHE AG 62 0.4682 1.2526 1.2491 0.1106 -0.0933 -0.0068 65 PHE o CB ? ? 1 +44590 C CG . PHE AG 62 0.4824 1.2519 1.2469 0.1173 -0.0975 -0.0053 65 PHE o CG ? ? 1 +44591 C CD1 . PHE AG 62 0.4887 1.2423 1.2388 0.1182 -0.0942 -0.0020 65 PHE o CD1 ? ? 1 +44592 C CD2 . PHE AG 62 0.5001 1.2712 1.2634 0.1229 -0.1047 -0.0072 65 PHE o CD2 ? ? 1 +44593 C CE1 . PHE AG 62 0.5082 1.2475 1.2427 0.1242 -0.0977 -0.0006 65 PHE o CE1 ? ? 1 +44594 C CE2 . PHE AG 62 0.5143 1.2707 1.2614 0.1293 -0.1084 -0.0056 65 PHE o CE2 ? ? 1 +44595 C CZ . PHE AG 62 0.5276 1.2682 1.2605 0.1299 -0.1047 -0.0023 65 PHE o CZ ? ? 1 +44596 C C . PHE AG 62 0.4426 1.2349 1.2358 0.0944 -0.0845 -0.0054 65 PHE o C ? ? 1 +44597 O O . PHE AG 62 0.4657 1.2733 1.2738 0.0938 -0.0854 -0.0086 65 PHE o O ? ? 1 +44598 N N . VAL AG 63 0.4186 1.2028 1.2061 0.0895 -0.0786 -0.0025 66 VAL o N ? ? 1 +44599 C CA . VAL AG 63 0.3905 1.1827 1.1879 0.0831 -0.0727 -0.0026 66 VAL o CA ? ? 1 +44600 C CB . VAL AG 63 0.3871 1.1708 1.1785 0.0750 -0.0691 0.0005 66 VAL o CB ? ? 1 +44601 C CG1 . VAL AG 63 0.3895 1.1735 1.1812 0.0713 -0.0730 0.0003 66 VAL o CG1 ? ? 1 +44602 C CG2 . VAL AG 63 0.3978 1.1647 1.1731 0.0758 -0.0672 0.0039 66 VAL o CG2 ? ? 1 +44603 C C . VAL AG 63 0.3866 1.1789 1.1843 0.0864 -0.0682 -0.0025 66 VAL o C ? ? 1 +44604 O O . VAL AG 63 0.3768 1.1582 1.1631 0.0915 -0.0686 -0.0011 66 VAL o O ? ? 1 +44605 N N . PRO AG 64 0.3885 1.1927 1.1989 0.0836 -0.0637 -0.0040 67 PRO o N ? ? 1 +44606 C CA . PRO AG 64 0.3592 1.1638 1.1699 0.0864 -0.0590 -0.0040 67 PRO o CA ? ? 1 +44607 C CB . PRO AG 64 0.3644 1.1862 1.1926 0.0838 -0.0559 -0.0068 67 PRO o CB ? ? 1 +44608 C CG . PRO AG 64 0.3683 1.1937 1.2016 0.0758 -0.0562 -0.0065 67 PRO o CG ? ? 1 +44609 C CD . PRO AG 64 0.3883 1.2058 1.2129 0.0775 -0.0628 -0.0058 67 PRO o CD ? ? 1 +44610 C C . PRO AG 64 0.3043 1.0957 1.1037 0.0820 -0.0540 -0.0004 67 PRO o C ? ? 1 +44611 O O . PRO AG 64 0.2939 1.0808 1.0903 0.0754 -0.0531 0.0015 67 PRO o O ? ? 1 +44612 N N . THR AG 65 0.2744 1.0597 1.0676 0.0859 -0.0511 0.0004 68 THR o N ? ? 1 +44613 C CA . THR AG 65 0.2493 1.0221 1.0315 0.0825 -0.0467 0.0034 68 THR o CA ? ? 1 +44614 C CB . THR AG 65 0.2513 1.0081 1.0175 0.0864 -0.0494 0.0054 68 THR o CB ? ? 1 +44615 O OG1 . THR AG 65 0.2498 1.0067 1.0145 0.0951 -0.0514 0.0038 68 THR o OG1 ? ? 1 +44616 C CG2 . THR AG 65 0.2542 1.0059 1.0152 0.0851 -0.0543 0.0063 68 THR o CG2 ? ? 1 +44617 C C . THR AG 65 0.2380 1.0146 1.0239 0.0833 -0.0411 0.0028 68 THR o C ? ? 1 +44618 O O . THR AG 65 0.2447 1.0319 1.0398 0.0880 -0.0410 0.0002 68 THR o O ? ? 1 +44619 N N . LYS AG 66 0.2247 0.9929 1.0035 0.0790 -0.0365 0.0052 69 LYS o N ? ? 1 +44620 C CA . LYS AG 66 0.2185 0.9877 0.9983 0.0797 -0.0309 0.0050 69 LYS o CA ? ? 1 +44621 C CB . LYS AG 66 0.2267 0.9960 1.0078 0.0718 -0.0260 0.0066 69 LYS o CB ? ? 1 +44622 C CG . LYS AG 66 0.2377 1.0217 1.0335 0.0684 -0.0232 0.0048 69 LYS o CG ? ? 1 +44623 C CD . LYS AG 66 0.2517 1.0334 1.0468 0.0600 -0.0202 0.0069 69 LYS o CD ? ? 1 +44624 C CE . LYS AG 66 0.2673 1.0588 1.0724 0.0564 -0.0145 0.0059 69 LYS o CE ? ? 1 +44625 N NZ . LYS AG 66 0.2734 1.0632 1.0785 0.0484 -0.0123 0.0078 69 LYS o NZ ? ? 1 +44626 C C . LYS AG 66 0.2074 0.9625 0.9731 0.0840 -0.0305 0.0064 69 LYS o C ? ? 1 +44627 O O . LYS AG 66 0.2150 0.9573 0.9690 0.0819 -0.0316 0.0088 69 LYS o O ? ? 1 +44628 N N . LEU AG 67 0.1968 0.9542 0.9637 0.0899 -0.0287 0.0049 70 LEU o N ? ? 1 +44629 C CA . LEU AG 67 0.1926 0.9372 0.9467 0.0943 -0.0277 0.0059 70 LEU o CA ? ? 1 +44630 C CB . LEU AG 67 0.1965 0.9473 0.9552 0.1026 -0.0277 0.0032 70 LEU o CB ? ? 1 +44631 C CG . LEU AG 67 0.2057 0.9440 0.9521 0.1081 -0.0266 0.0038 70 LEU o CG ? ? 1 +44632 C CD1 . LEU AG 67 0.2124 0.9358 0.9447 0.1106 -0.0313 0.0055 70 LEU o CD1 ? ? 1 +44633 C CD2 . LEU AG 67 0.2087 0.9553 0.9616 0.1160 -0.0260 0.0010 70 LEU o CD2 ? ? 1 +44634 C C . LEU AG 67 0.1816 0.9194 0.9300 0.0893 -0.0222 0.0077 70 LEU o C ? ? 1 +44635 O O . LEU AG 67 0.1753 0.9213 0.9313 0.0873 -0.0177 0.0068 70 LEU o O ? ? 1 +44636 N N . VAL AG 68 0.1759 0.8986 0.9105 0.0876 -0.0226 0.0100 71 VAL o N ? ? 1 +44637 C CA . VAL AG 68 0.1701 0.8856 0.8983 0.0830 -0.0181 0.0116 71 VAL o CA ? ? 1 +44638 C CB . VAL AG 68 0.1637 0.8724 0.8867 0.0757 -0.0189 0.0141 71 VAL o CB ? ? 1 +44639 C CG1 . VAL AG 68 0.1540 0.8743 0.8885 0.0708 -0.0194 0.0138 71 VAL o CG1 ? ? 1 +44640 C CG2 . VAL AG 68 0.1679 0.8645 0.8799 0.0771 -0.0231 0.0154 71 VAL o CG2 ? ? 1 +44641 C C . VAL AG 68 0.1758 0.8797 0.8925 0.0875 -0.0166 0.0118 71 VAL o C ? ? 1 +44642 O O . VAL AG 68 0.1763 0.8742 0.8874 0.0844 -0.0128 0.0128 71 VAL o O ? ? 1 +44643 N N . THR AG 69 0.1803 0.8808 0.8932 0.0948 -0.0195 0.0108 72 THR o N ? ? 1 +44644 C CA . THR AG 69 0.1888 0.8775 0.8903 0.0994 -0.0182 0.0109 72 THR o CA ? ? 1 +44645 C CB . THR AG 69 0.1962 0.8721 0.8863 0.1024 -0.0227 0.0119 72 THR o CB ? ? 1 +44646 O OG1 . THR AG 69 0.1960 0.8792 0.8923 0.1066 -0.0271 0.0107 72 THR o OG1 ? ? 1 +44647 C CG2 . THR AG 69 0.1934 0.8596 0.8757 0.0955 -0.0235 0.0144 72 THR o CG2 ? ? 1 +44648 C C . THR AG 69 0.1920 0.8869 0.8981 0.1062 -0.0159 0.0085 72 THR o C ? ? 1 +44649 O O . THR AG 69 0.2014 0.8870 0.8984 0.1117 -0.0158 0.0082 72 THR o O ? ? 1 +44650 N N A ARG AG 70 0.1848 0.8954 0.9050 0.1055 -0.0136 0.0068 73 ARG o N ? ? 1 +44651 N N B ARG AG 70 0.1844 0.8951 0.9047 0.1056 -0.0137 0.0068 73 ARG o N ? ? 1 +44652 C CA A ARG AG 70 0.1881 0.9059 0.9140 0.1104 -0.0100 0.0046 73 ARG o CA ? ? 1 +44653 C CA B ARG AG 70 0.1875 0.9056 0.9137 0.1103 -0.0100 0.0046 73 ARG o CA ? ? 1 +44654 C C A ARG AG 70 0.1963 0.9153 0.9225 0.1200 -0.0130 0.0026 73 ARG o C ? ? 1 +44655 C C B ARG AG 70 0.1957 0.9152 0.9224 0.1199 -0.0130 0.0026 73 ARG o C ? ? 1 +44656 O O A ARG AG 70 0.1982 0.9150 0.9225 0.1226 -0.0183 0.0027 73 ARG o O ? ? 1 +44657 O O B ARG AG 70 0.1972 0.9150 0.9225 0.1225 -0.0183 0.0027 73 ARG o O ? ? 1 +44658 C CB A ARG AG 70 0.1923 0.9005 0.9088 0.1087 -0.0050 0.0055 73 ARG o CB ? ? 1 +44659 C CB B ARG AG 70 0.1915 0.9002 0.9085 0.1087 -0.0050 0.0055 73 ARG o CB ? ? 1 +44660 C CG A ARG AG 70 0.1849 0.8916 0.9006 0.0997 -0.0024 0.0075 73 ARG o CG ? ? 1 +44661 C CG B ARG AG 70 0.1841 0.8909 0.8999 0.0995 -0.0024 0.0076 73 ARG o CG ? ? 1 +44662 C CD A ARG AG 70 0.1895 0.8871 0.8960 0.0981 0.0022 0.0083 73 ARG o CD ? ? 1 +44663 C CD B ARG AG 70 0.1886 0.8865 0.8953 0.0981 0.0022 0.0082 73 ARG o CD ? ? 1 +44664 N NE A ARG AG 70 0.1907 0.8968 0.9038 0.1005 0.0072 0.0065 73 ARG o NE ? ? 1 +44665 N NE B ARG AG 70 0.1897 0.8963 0.9032 0.1004 0.0073 0.0064 73 ARG o NE ? ? 1 +44666 C CZ A ARG AG 70 0.1956 0.8960 0.9022 0.0999 0.0118 0.0066 73 ARG o CZ ? ? 1 +44667 C CZ B ARG AG 70 0.1951 0.8958 0.9020 0.1002 0.0119 0.0065 73 ARG o CZ ? ? 1 +44668 N NH1 A ARG AG 70 0.2004 0.8864 0.8937 0.0973 0.0117 0.0083 73 ARG o NH1 ? ? 1 +44669 N NH1 B ARG AG 70 0.2007 0.8867 0.8939 0.0981 0.0117 0.0081 73 ARG o NH1 ? ? 1 +44670 N NH2 A ARG AG 70 0.1961 0.9055 0.9098 0.1018 0.0167 0.0050 73 ARG o NH2 ? ? 1 +44671 N NH2 B ARG AG 70 0.1953 0.9052 0.9095 0.1020 0.0167 0.0049 73 ARG o NH2 ? ? 1 +44672 N N . GLU AG 71 0.2018 0.9246 0.9305 0.1253 -0.0097 0.0007 74 GLU o N ? ? 1 +44673 C CA . GLU AG 71 0.2092 0.9362 0.9409 0.1348 -0.0121 -0.0017 74 GLU o CA ? ? 1 +44674 C CB . GLU AG 71 0.2130 0.9512 0.9541 0.1382 -0.0070 -0.0042 74 GLU o CB ? ? 1 +44675 C CG . GLU AG 71 0.2047 0.9614 0.9632 0.1338 -0.0047 -0.0056 74 GLU o CG ? ? 1 +44676 C CD . GLU AG 71 0.2041 0.9720 0.9733 0.1360 -0.0103 -0.0072 74 GLU o CD ? ? 1 +44677 O OE1 . GLU AG 71 0.2126 0.9854 0.9855 0.1444 -0.0129 -0.0095 74 GLU o OE1 ? ? 1 +44678 O OE2 . GLU AG 71 0.1997 0.9710 0.9730 0.1297 -0.0125 -0.0061 74 GLU o OE2 ? ? 1 +44679 C C . GLU AG 71 0.2194 0.9295 0.9353 0.1406 -0.0149 -0.0009 74 GLU o C ? ? 1 +44680 O O . GLU AG 71 0.2263 0.9318 0.9372 0.1467 -0.0128 -0.0020 74 GLU o O ? ? 1 +44681 N N . THR AG 72 0.2195 0.9204 0.9277 0.1390 -0.0196 0.0010 75 THR o N ? ? 1 +44682 C CA . THR AG 72 0.2300 0.9129 0.9217 0.1426 -0.0219 0.0023 75 THR o CA ? ? 1 +44683 C CB . THR AG 72 0.2280 0.8973 0.9084 0.1347 -0.0202 0.0051 75 THR o CB ? ? 1 +44684 O OG1 . THR AG 72 0.2177 0.8916 0.9030 0.1279 -0.0223 0.0065 75 THR o OG1 ? ? 1 +44685 C CG2 . THR AG 72 0.2256 0.8947 0.9057 0.1309 -0.0143 0.0052 75 THR o CG2 ? ? 1 +44686 C C . THR AG 72 0.2333 0.9147 0.9235 0.1471 -0.0283 0.0023 75 THR o C ? ? 1 +44687 O O . THR AG 72 0.2412 0.9073 0.9178 0.1480 -0.0309 0.0040 75 THR o O ? ? 1 +44688 N N . THR AG 73 0.2283 0.9257 0.9325 0.1499 -0.0309 0.0002 76 THR o N ? ? 1 +44689 C CA . THR AG 73 0.2286 0.9271 0.9335 0.1518 -0.0371 0.0003 76 THR o CA ? ? 1 +44690 C CB . THR AG 73 0.2151 0.9312 0.9363 0.1468 -0.0378 -0.0008 76 THR o CB ? ? 1 +44691 O OG1 . THR AG 73 0.2111 0.9441 0.9473 0.1502 -0.0357 -0.0039 76 THR o OG1 ? ? 1 +44692 C CG2 . THR AG 73 0.2048 0.9200 0.9265 0.1362 -0.0344 0.0013 76 THR o CG2 ? ? 1 +44693 C C . THR AG 73 0.2402 0.9381 0.9432 0.1626 -0.0415 -0.0015 76 THR o C ? ? 1 +44694 O O . THR AG 73 0.2438 0.9368 0.9419 0.1649 -0.0469 -0.0009 76 THR o O ? ? 1 +44695 N N . SER AG 74 0.2478 0.9501 0.9541 0.1694 -0.0394 -0.0037 77 SER o N ? ? 1 +44696 C CA . SER AG 74 0.2586 0.9642 0.9666 0.1799 -0.0437 -0.0059 77 SER o CA ? ? 1 +44697 C CB . SER AG 74 0.2576 0.9780 0.9784 0.1851 -0.0407 -0.0092 77 SER o CB ? ? 1 +44698 O OG . SER AG 74 0.2443 0.9834 0.9826 0.1794 -0.0389 -0.0106 77 SER o OG ? ? 1 +44699 C C . SER AG 74 0.2762 0.9621 0.9658 0.1864 -0.0460 -0.0046 77 SER o C ? ? 1 +44700 O O . SER AG 74 0.2812 0.9530 0.9588 0.1846 -0.0424 -0.0030 77 SER o O ? ? 1 +44701 N N . LEU AG 75 0.2866 0.9718 0.9743 0.1938 -0.0521 -0.0054 78 LEU o N ? ? 1 +44702 C CA . LEU AG 75 0.3056 0.9735 0.9770 0.2018 -0.0548 -0.0046 78 LEU o CA ? ? 1 +44703 C CB . LEU AG 75 0.3089 0.9714 0.9745 0.2036 -0.0616 -0.0035 78 LEU o CB ? ? 1 +44704 C CG . LEU AG 75 0.2986 0.9599 0.9639 0.1934 -0.0621 -0.0012 78 LEU o CG ? ? 1 +44705 C CD1 . LEU AG 75 0.3045 0.9600 0.9631 0.1963 -0.0686 -0.0004 78 LEU o CD1 ? ? 1 +44706 C CD2 . LEU AG 75 0.2984 0.9445 0.9517 0.1857 -0.0574 0.0017 78 LEU o CD2 ? ? 1 +44707 C C . LEU AG 75 0.3175 0.9923 0.9940 0.2125 -0.0549 -0.0077 78 LEU o C ? ? 1 +44708 O O . LEU AG 75 0.3095 1.0033 1.0025 0.2153 -0.0560 -0.0106 78 LEU o O ? ? 1 +44709 N N . ASP AG 76 0.3365 0.9956 0.9989 0.2183 -0.0536 -0.0072 79 ASP o N ? ? 1 +44710 C CA . ASP AG 76 0.3487 1.0130 1.0149 0.2279 -0.0525 -0.0100 79 ASP o CA ? ? 1 +44711 C CB . ASP AG 76 0.3394 1.0157 1.0171 0.2239 -0.0456 -0.0115 79 ASP o CB ? ? 1 +44712 C CG . ASP AG 76 0.3422 1.0308 1.0300 0.2334 -0.0445 -0.0152 79 ASP o CG ? ? 1 +44713 O OD1 . ASP AG 76 0.3491 1.0384 1.0363 0.2433 -0.0496 -0.0168 79 ASP o OD1 ? ? 1 +44714 O OD2 . ASP AG 76 0.3370 1.0339 1.0326 0.2311 -0.0386 -0.0164 79 ASP o OD2 ? ? 1 +44715 C C . ASP AG 76 0.3733 1.0163 1.0203 0.2350 -0.0528 -0.0090 79 ASP o C ? ? 1 +44716 O O . ASP AG 76 0.3765 1.0008 1.0076 0.2309 -0.0524 -0.0061 79 ASP o O ? ? 1 +44717 N N . GLN AG 77 0.3903 1.0371 1.0396 0.2459 -0.0537 -0.0117 80 GLN o N ? ? 1 +44718 C CA . GLN AG 77 0.4165 1.0448 1.0489 0.2543 -0.0542 -0.0113 80 GLN o CA ? ? 1 +44719 C CB . GLN AG 77 0.4265 1.0405 1.0477 0.2494 -0.0477 -0.0098 80 GLN o CB ? ? 1 +44720 C CG . GLN AG 77 0.4230 1.0528 1.0585 0.2471 -0.0416 -0.0120 80 GLN o CG ? ? 1 +44721 C CD . GLN AG 77 0.4366 1.0544 1.0620 0.2477 -0.0359 -0.0120 80 GLN o CD ? ? 1 +44722 O OE1 . GLN AG 77 0.4572 1.0706 1.0780 0.2576 -0.0355 -0.0138 80 GLN o OE1 ? ? 1 +44723 N NE2 . GLN AG 77 0.4289 1.0425 1.0517 0.2374 -0.0313 -0.0102 80 GLN o NE2 ? ? 1 +44724 C C . GLN AG 77 0.4291 1.0424 1.0474 0.2576 -0.0604 -0.0092 80 GLN o C ? ? 1 +44725 O O . GLN AG 77 0.4438 1.0360 1.0437 0.2608 -0.0605 -0.0075 80 GLN o O ? ? 1 +44726 N N . ILE AG 78 0.4257 1.0503 1.0531 0.2571 -0.0656 -0.0096 81 ILE o N ? ? 1 +44727 C CA . ILE AG 78 0.4398 1.0523 1.0552 0.2606 -0.0718 -0.0079 81 ILE o CA ? ? 1 +44728 C CB . ILE AG 78 0.4228 1.0463 1.0475 0.2542 -0.0755 -0.0074 81 ILE o CB ? ? 1 +44729 C CG1 . ILE AG 78 0.4104 1.0312 1.0347 0.2405 -0.0710 -0.0048 81 ILE o CG1 ? ? 1 +44730 C CG2 . ILE AG 78 0.4319 1.0442 1.0447 0.2593 -0.0824 -0.0061 81 ILE o CG2 ? ? 1 +44731 C CD1 . ILE AG 78 0.3963 1.0286 1.0306 0.2333 -0.0736 -0.0044 81 ILE o CD1 ? ? 1 +44732 C C . ILE AG 78 0.4662 1.0793 1.0802 0.2747 -0.0764 -0.0103 81 ILE o C ? ? 1 +44733 O O . ILE AG 78 0.4652 1.0972 1.0953 0.2802 -0.0770 -0.0137 81 ILE o O ? ? 1 +44734 N N . GLN AG 79 0.4973 1.0891 1.0917 0.2806 -0.0793 -0.0084 82 GLN o N ? ? 1 +44735 C CA . GLN AG 79 0.5220 1.1115 1.1124 0.2944 -0.0841 -0.0103 82 GLN o CA ? ? 1 +44736 C CB . GLN AG 79 0.5435 1.1239 1.1266 0.3006 -0.0799 -0.0112 82 GLN o CB ? ? 1 +44737 C CG . GLN AG 79 0.5634 1.1180 1.1255 0.2960 -0.0759 -0.0079 82 GLN o CG ? ? 1 +44738 C CD . GLN AG 79 0.5869 1.1318 1.1411 0.3028 -0.0721 -0.0090 82 GLN o CD ? ? 1 +44739 O OE1 . GLN AG 79 0.5903 1.1473 1.1543 0.3117 -0.0722 -0.0123 82 GLN o OE1 ? ? 1 +44740 N NE2 . GLN AG 79 0.6025 1.1247 1.1383 0.2988 -0.0687 -0.0063 82 GLN o NE2 ? ? 1 +44741 C C . GLN AG 79 0.5398 1.1110 1.1125 0.2978 -0.0898 -0.0078 82 GLN o C ? ? 1 +44742 O O . GLN AG 79 0.5350 1.0907 1.0950 0.2900 -0.0885 -0.0044 82 GLN o O ? ? 1 +44743 N N . GLY AG 80 0.5628 1.1365 1.1352 0.3096 -0.0962 -0.0096 83 GLY o N ? ? 1 +44744 C CA . GLY AG 80 0.5853 1.1422 1.1409 0.3146 -0.1021 -0.0075 83 GLY o CA ? ? 1 +44745 C C . GLY AG 80 0.6029 1.1666 1.1615 0.3289 -0.1091 -0.0103 83 GLY o C ? ? 1 +44746 O O . GLY AG 80 0.5936 1.1773 1.1695 0.3341 -0.1095 -0.0141 83 GLY o O ? ? 1 +44747 N N . GLU AG 81 0.6355 1.1819 1.1767 0.3352 -0.1146 -0.0085 84 GLU o N ? ? 1 +44748 C CA . GLU AG 81 0.6592 1.2092 1.2003 0.3492 -0.1221 -0.0108 84 GLU o CA ? ? 1 +44749 C CB . GLU AG 81 0.7005 1.2229 1.2155 0.3553 -0.1258 -0.0077 84 GLU o CB ? ? 1 +44750 C CG . GLU AG 81 0.7334 1.2562 1.2452 0.3709 -0.1337 -0.0099 84 GLU o CG ? ? 1 +44751 C CD . GLU AG 81 0.7744 1.2685 1.2591 0.3776 -0.1372 -0.0067 84 GLU o CD ? ? 1 +44752 O OE1 . GLU AG 81 0.7935 1.2686 1.2625 0.3690 -0.1343 -0.0027 84 GLU o OE1 ? ? 1 +44753 O OE2 . GLU AG 81 0.7986 1.2889 1.2774 0.3915 -0.1425 -0.0082 84 GLU o OE2 ? ? 1 +44754 C C . GLU AG 81 0.6422 1.2157 1.2020 0.3488 -0.1278 -0.0133 84 GLU o C ? ? 1 +44755 O O . GLU AG 81 0.6318 1.2076 1.1938 0.3391 -0.1282 -0.0117 84 GLU o O ? ? 1 +44756 N N . LEU AG 82 0.6446 1.2356 1.2181 0.3593 -0.1322 -0.0175 85 LEU o N ? ? 1 +44757 C CA . LEU AG 82 0.6361 1.2481 1.2257 0.3614 -0.1390 -0.0204 85 LEU o CA ? ? 1 +44758 C CB . LEU AG 82 0.6166 1.2580 1.2335 0.3614 -0.1372 -0.0250 85 LEU o CB ? ? 1 +44759 C CG . LEU AG 82 0.6036 1.2692 1.2399 0.3623 -0.1437 -0.0285 85 LEU o CG ? ? 1 +44760 C CD1 . LEU AG 82 0.5899 1.2579 1.2289 0.3492 -0.1434 -0.0264 85 LEU o CD1 ? ? 1 +44761 C CD2 . LEU AG 82 0.5900 1.2828 1.2517 0.3640 -0.1415 -0.0332 85 LEU o CD2 ? ? 1 +44762 C C . LEU AG 82 0.6635 1.2672 1.2419 0.3756 -0.1477 -0.0211 85 LEU o C ? ? 1 +44763 O O . LEU AG 82 0.6738 1.2833 1.2563 0.3873 -0.1499 -0.0241 85 LEU o O ? ? 1 +44764 N N . LYS AG 83 0.6813 1.2713 1.2454 0.3745 -0.1524 -0.0184 86 LYS o N ? ? 1 +44765 C CA . LYS AG 83 0.7053 1.2838 1.2552 0.3872 -0.1607 -0.0184 86 LYS o CA ? ? 1 +44766 C CB . LYS AG 83 0.7352 1.2876 1.2608 0.3831 -0.1617 -0.0135 86 LYS o CB ? ? 1 +44767 C CG . LYS AG 83 0.7626 1.2880 1.2669 0.3803 -0.1550 -0.0095 86 LYS o CG ? ? 1 +44768 C CD . LYS AG 83 0.7828 1.2810 1.2616 0.3783 -0.1564 -0.0049 86 LYS o CD ? ? 1 +44769 C CE . LYS AG 83 0.7741 1.2695 1.2527 0.3626 -0.1514 -0.0019 86 LYS o CE ? ? 1 +44770 N NZ . LYS AG 83 0.7996 1.2647 1.2514 0.3601 -0.1497 0.0028 86 LYS o NZ ? ? 1 +44771 C C . LYS AG 83 0.6874 1.2883 1.2538 0.3933 -0.1693 -0.0224 86 LYS o C ? ? 1 +44772 O O . LYS AG 83 0.6685 1.2864 1.2503 0.3846 -0.1698 -0.0235 86 LYS o O ? ? 1 +44773 N N . VAL AG 84 0.6920 1.2914 1.2538 0.4083 -0.1762 -0.0246 87 VAL o N ? ? 1 +44774 C CA . VAL AG 84 0.6859 1.3013 1.2580 0.4156 -0.1859 -0.0280 87 VAL o CA ? ? 1 +44775 C CB . VAL AG 84 0.6852 1.3154 1.2687 0.4303 -0.1906 -0.0328 87 VAL o CB ? ? 1 +44776 C CG1 . VAL AG 84 0.6774 1.3326 1.2802 0.4338 -0.1991 -0.0373 87 VAL o CG1 ? ? 1 +44777 C CG2 . VAL AG 84 0.6743 1.3172 1.2729 0.4291 -0.1829 -0.0351 87 VAL o CG2 ? ? 1 +44778 C C . VAL AG 84 0.7018 1.2948 1.2502 0.4192 -0.1920 -0.0247 87 VAL o C ? ? 1 +44779 O O . VAL AG 84 0.7249 1.2935 1.2506 0.4267 -0.1925 -0.0221 87 VAL o O ? ? 1 +44780 N N . ASN AG 85 0.6895 1.2906 1.2430 0.4139 -0.1967 -0.0249 88 ASN o N ? ? 1 +44781 C CA . ASN AG 85 0.7015 1.2827 1.2335 0.4167 -0.2025 -0.0219 88 ASN o CA ? ? 1 +44782 C CB . ASN AG 85 0.6809 1.2650 1.2159 0.4027 -0.2012 -0.0200 88 ASN o CB ? ? 1 +44783 C CG . ASN AG 85 0.6653 1.2407 1.1974 0.3889 -0.1907 -0.0165 88 ASN o CG ? ? 1 +44784 O OD1 . ASN AG 85 0.6417 1.2338 1.1914 0.3773 -0.1865 -0.0174 88 ASN o OD1 ? ? 1 +44785 N ND2 . ASN AG 85 0.6782 1.2271 1.1879 0.3898 -0.1864 -0.0125 88 ASN o ND2 ? ? 1 +44786 C C . ASN AG 85 0.7179 1.3057 1.2505 0.4313 -0.2137 -0.0253 88 ASN o C ? ? 1 +44787 O O . ASN AG 85 0.7126 1.3225 1.2644 0.4388 -0.2170 -0.0301 88 ASN o O ? ? 1 +44788 N N . SER AG 86 0.7416 1.3096 1.2525 0.4355 -0.2193 -0.0225 89 SER o N ? ? 1 +44789 C CA . SER AG 86 0.7592 1.3298 1.2667 0.4493 -0.2306 -0.0251 89 SER o CA ? ? 1 +44790 C CB . SER AG 86 0.7845 1.3316 1.2672 0.4492 -0.2347 -0.0211 89 SER o CB ? ? 1 +44791 O OG . SER AG 86 0.8069 1.3227 1.2632 0.4470 -0.2287 -0.0156 89 SER o OG ? ? 1 +44792 C C . SER AG 86 0.7325 1.3360 1.2678 0.4497 -0.2368 -0.0308 89 SER o C ? ? 1 +44793 O O . SER AG 86 0.7326 1.3493 1.2771 0.4622 -0.2438 -0.0351 89 SER o O ? ? 1 +44794 N N . ASP AG 87 0.7100 1.3260 1.2582 0.4360 -0.2341 -0.0308 90 ASP o N ? ? 1 +44795 C CA . ASP AG 87 0.6891 1.3343 1.2621 0.4341 -0.2397 -0.0357 90 ASP o CA ? ? 1 +44796 C CB . ASP AG 87 0.6768 1.3204 1.2484 0.4207 -0.2388 -0.0335 90 ASP o CB ? ? 1 +44797 C CG . ASP AG 87 0.6630 1.3011 1.2349 0.4055 -0.2275 -0.0299 90 ASP o CG ? ? 1 +44798 O OD1 . ASP AG 87 0.6745 1.2942 1.2324 0.4055 -0.2210 -0.0265 90 ASP o OD1 ? ? 1 +44799 O OD2 . ASP AG 87 0.6472 1.2990 1.2331 0.3937 -0.2254 -0.0305 90 ASP o OD2 ? ? 1 +44800 C C . ASP AG 87 0.6634 1.3371 1.2660 0.4304 -0.2353 -0.0401 90 ASP o C ? ? 1 +44801 O O . ASP AG 87 0.6513 1.3498 1.2761 0.4255 -0.2377 -0.0438 90 ASP o O ? ? 1 +44802 N N . GLY AG 88 0.6545 1.3241 1.2567 0.4324 -0.2284 -0.0394 91 GLY o N ? ? 1 +44803 C CA . GLY AG 88 0.6282 1.3228 1.2564 0.4295 -0.2234 -0.0433 91 GLY o CA ? ? 1 +44804 C C . GLY AG 88 0.5986 1.3003 1.2382 0.4126 -0.2137 -0.0417 91 GLY o C ? ? 1 +44805 O O . GLY AG 88 0.5843 1.3047 1.2439 0.4093 -0.2085 -0.0444 91 GLY o O ? ? 1 +44806 N N . SER AG 89 0.5841 1.2710 1.2108 0.4019 -0.2113 -0.0374 92 SER o N ? ? 1 +44807 C CA . SER AG 89 0.5603 1.2502 1.1943 0.3863 -0.2020 -0.0353 92 SER o CA ? ? 1 +44808 C CB . SER AG 89 0.5565 1.2328 1.1778 0.3760 -0.2017 -0.0314 92 SER o CB ? ? 1 +44809 O OG . SER AG 89 0.5745 1.2203 1.1671 0.3793 -0.2014 -0.0266 92 SER o OG ? ? 1 +44810 C C . SER AG 89 0.5580 1.2334 1.1825 0.3850 -0.1930 -0.0325 92 SER o C ? ? 1 +44811 O O . SER AG 89 0.5758 1.2315 1.1814 0.3944 -0.1940 -0.0307 92 SER o O ? ? 1 +44812 N N . LEU AG 90 0.5331 1.2183 1.1708 0.3736 -0.1845 -0.0323 93 LEU o N ? ? 1 +44813 C CA . LEU AG 90 0.5297 1.2020 1.1593 0.3706 -0.1756 -0.0297 93 LEU o CA ? ? 1 +44814 C CB . LEU AG 90 0.5146 1.2092 1.1673 0.3682 -0.1698 -0.0332 93 LEU o CB ? ? 1 +44815 C CG . LEU AG 90 0.5134 1.2326 1.1865 0.3783 -0.1751 -0.0390 93 LEU o CG ? ? 1 +44816 C CD1 . LEU AG 90 0.5029 1.2379 1.1935 0.3766 -0.1678 -0.0415 93 LEU o CD1 ? ? 1 +44817 C CD2 . LEU AG 90 0.5357 1.2450 1.1963 0.3946 -0.1824 -0.0400 93 LEU o CD2 ? ? 1 +44818 C C . LEU AG 90 0.5184 1.1748 1.1360 0.3570 -0.1697 -0.0248 93 LEU o C ? ? 1 +44819 O O . LEU AG 90 0.5002 1.1660 1.1265 0.3474 -0.1700 -0.0248 93 LEU o O ? ? 1 +44820 N N . THR AG 91 0.5262 1.1584 1.1237 0.3564 -0.1645 -0.0209 94 THR o N ? ? 1 +44821 C CA . THR AG 91 0.5211 1.1385 1.1079 0.3435 -0.1582 -0.0165 94 THR o CA ? ? 1 +44822 C CB . THR AG 91 0.5373 1.1281 1.0981 0.3450 -0.1613 -0.0124 94 THR o CB ? ? 1 +44823 O OG1 . THR AG 91 0.5355 1.1338 1.0995 0.3462 -0.1689 -0.0135 94 THR o OG1 ? ? 1 +44824 C CG2 . THR AG 91 0.5326 1.1055 1.0805 0.3324 -0.1539 -0.0077 94 THR o CG2 ? ? 1 +44825 C C . THR AG 91 0.5184 1.1294 1.1035 0.3392 -0.1491 -0.0152 94 THR o C ? ? 1 +44826 O O . THR AG 91 0.5361 1.1337 1.1093 0.3473 -0.1481 -0.0147 94 THR o O ? ? 1 +44827 N N . PHE AG 92 0.4971 1.1180 1.0941 0.3264 -0.1428 -0.0147 95 PHE o N ? ? 1 +44828 C CA . PHE AG 92 0.4921 1.1060 1.0865 0.3203 -0.1340 -0.0131 95 PHE o CA ? ? 1 +44829 C CB . PHE AG 92 0.4696 1.1063 1.0869 0.3109 -0.1289 -0.0151 95 PHE o CB ? ? 1 +44830 C CG . PHE AG 92 0.4640 1.0931 1.0780 0.3031 -0.1198 -0.0132 95 PHE o CG ? ? 1 +44831 C CD1 . PHE AG 92 0.4741 1.0962 1.0828 0.3096 -0.1164 -0.0137 95 PHE o CD1 ? ? 1 +44832 C CD2 . PHE AG 92 0.4501 1.0781 1.0654 0.2896 -0.1150 -0.0108 95 PHE o CD2 ? ? 1 +44833 C CE1 . PHE AG 92 0.4701 1.0850 1.0753 0.3026 -0.1084 -0.0121 95 PHE o CE1 ? ? 1 +44834 C CE2 . PHE AG 92 0.4463 1.0672 1.0582 0.2828 -0.1071 -0.0091 95 PHE o CE2 ? ? 1 +44835 C CZ . PHE AG 92 0.4566 1.0709 1.0634 0.2893 -0.1039 -0.0098 95 PHE o CZ ? ? 1 +44836 C C . PHE AG 92 0.4963 1.0859 1.0703 0.3121 -0.1303 -0.0081 95 PHE o C ? ? 1 +44837 O O . PHE AG 92 0.4863 1.0756 1.0600 0.3036 -0.1310 -0.0064 95 PHE o O ? ? 1 +44838 N N . VAL AG 93 0.5097 1.0790 1.0670 0.3147 -0.1264 -0.0060 96 VAL o N ? ? 1 +44839 C CA . VAL AG 93 0.5155 1.0616 1.0540 0.3068 -0.1221 -0.0016 96 VAL o CA ? ? 1 +44840 C CB . VAL AG 93 0.5393 1.0588 1.0524 0.3151 -0.1251 0.0009 96 VAL o CB ? ? 1 +44841 C CG1 . VAL AG 93 0.5415 1.0378 1.0361 0.3058 -0.1202 0.0053 96 VAL o CG1 ? ? 1 +44842 C CG2 . VAL AG 93 0.5479 1.0692 1.0584 0.3230 -0.1339 0.0001 96 VAL o CG2 ? ? 1 +44843 C C . VAL AG 93 0.5084 1.0532 1.0494 0.3002 -0.1137 -0.0012 96 VAL o C ? ? 1 +44844 O O . VAL AG 93 0.5199 1.0585 1.0561 0.3068 -0.1115 -0.0020 96 VAL o O ? ? 1 +44845 N N . GLU AG 94 0.4926 1.0433 1.0410 0.2873 -0.1091 0.0001 97 GLU o N ? ? 1 +44846 C CA . GLU AG 94 0.4860 1.0358 1.0369 0.2801 -0.1014 0.0005 97 GLU o CA ? ? 1 +44847 C CB . GLU AG 94 0.4642 1.0238 1.0255 0.2665 -0.0978 0.0015 97 GLU o CB ? ? 1 +44848 C CG . GLU AG 94 0.4526 1.0159 1.0201 0.2598 -0.0903 0.0013 97 GLU o CG ? ? 1 +44849 C CD . GLU AG 94 0.4428 0.9952 1.0029 0.2474 -0.0854 0.0045 97 GLU o CD ? ? 1 +44850 O OE1 . GLU AG 94 0.4461 0.9866 0.9953 0.2439 -0.0875 0.0071 97 GLU o OE1 ? ? 1 +44851 O OE2 . GLU AG 94 0.4308 0.9865 0.9960 0.2414 -0.0795 0.0043 97 GLU o OE2 ? ? 1 +44852 C C . GLU AG 94 0.5068 1.0293 1.0349 0.2801 -0.0980 0.0036 97 GLU o C ? ? 1 +44853 O O . GLU AG 94 0.5164 1.0217 1.0290 0.2772 -0.0991 0.0066 97 GLU o O ? ? 1 +44854 N N . GLU AG 95 0.5149 1.0340 1.0415 0.2832 -0.0937 0.0026 98 GLU o N ? ? 1 +44855 C CA . GLU AG 95 0.5321 1.0262 1.0382 0.2838 -0.0903 0.0049 98 GLU o CA ? ? 1 +44856 C CB . GLU AG 95 0.5513 1.0423 1.0539 0.2968 -0.0913 0.0027 98 GLU o CB ? ? 1 +44857 C CG . GLU AG 95 0.5734 1.0408 1.0571 0.2983 -0.0871 0.0042 98 GLU o CG ? ? 1 +44858 C CD . GLU AG 95 0.5908 1.0585 1.0741 0.3107 -0.0874 0.0016 98 GLU o CD ? ? 1 +44859 O OE1 . GLU AG 95 0.6064 1.0724 1.0857 0.3223 -0.0932 0.0006 98 GLU o OE1 ? ? 1 +44860 O OE2 . GLU AG 95 0.5902 1.0600 1.0772 0.3091 -0.0820 0.0004 98 GLU o OE2 ? ? 1 +44861 C C . GLU AG 95 0.5193 1.0112 1.0266 0.2720 -0.0829 0.0061 98 GLU o C ? ? 1 +44862 O O . GLU AG 95 0.5266 1.0003 1.0194 0.2652 -0.0804 0.0091 98 GLU o O ? ? 1 +44863 N N . ASP AG 96 0.4996 1.0102 1.0243 0.2695 -0.0795 0.0037 99 ASP o N ? ? 1 +44864 C CA . ASP AG 96 0.4852 0.9952 1.0120 0.2591 -0.0727 0.0045 99 ASP o CA ? ? 1 +44865 C CB . ASP AG 96 0.5012 0.9928 1.0132 0.2626 -0.0688 0.0048 99 ASP o CB ? ? 1 +44866 C CG . ASP AG 96 0.4973 0.9817 1.0056 0.2522 -0.0622 0.0061 99 ASP o CG ? ? 1 +44867 O OD1 . ASP AG 96 0.4846 0.9738 0.9981 0.2412 -0.0608 0.0076 99 ASP o OD1 ? ? 1 +44868 O OD2 . ASP AG 96 0.5077 0.9819 1.0081 0.2551 -0.0587 0.0055 99 ASP o OD2 ? ? 1 +44869 C C . ASP AG 96 0.4600 0.9951 1.0092 0.2560 -0.0702 0.0018 99 ASP o C ? ? 1 +44870 O O . ASP AG 96 0.4571 1.0089 1.0195 0.2631 -0.0731 -0.0010 99 ASP o O ? ? 1 +44871 N N . GLY AG 97 0.4403 0.9775 0.9933 0.2453 -0.0647 0.0027 100 GLY o N ? ? 1 +44872 C CA . GLY AG 97 0.4188 0.9765 0.9904 0.2417 -0.0610 0.0005 100 GLY o CA ? ? 1 +44873 C C . GLY AG 97 0.3998 0.9593 0.9747 0.2283 -0.0571 0.0023 100 GLY o C ? ? 1 +44874 O O . GLY AG 97 0.4014 0.9464 0.9644 0.2224 -0.0572 0.0051 100 GLY o O ? ? 1 +44875 N N . ILE AG 98 0.3797 0.9568 0.9706 0.2238 -0.0535 0.0007 101 ILE o N ? ? 1 +44876 C CA . ILE AG 98 0.3605 0.9425 0.9570 0.2117 -0.0505 0.0022 101 ILE o CA ? ? 1 +44877 C CB . ILE AG 98 0.3502 0.9443 0.9580 0.2085 -0.0447 0.0005 101 ILE o CB ? ? 1 +44878 C CG1 . ILE AG 98 0.3622 0.9418 0.9577 0.2115 -0.0407 0.0004 101 ILE o CG1 ? ? 1 +44879 C CG2 . ILE AG 98 0.3345 0.9355 0.9495 0.1966 -0.0418 0.0018 101 ILE o CG2 ? ? 1 +44880 C CD1 . ILE AG 98 0.3575 0.9494 0.9636 0.2127 -0.0360 -0.0020 101 ILE o CD1 ? ? 1 +44881 C C . ILE AG 98 0.3473 0.9418 0.9541 0.2091 -0.0549 0.0023 101 ILE o C ? ? 1 +44882 O O . ILE AG 98 0.3349 0.9494 0.9591 0.2082 -0.0550 0.0003 101 ILE o O ? ? 1 +44883 N N . ASP AG 99 0.3494 0.9313 0.9448 0.2079 -0.0585 0.0046 102 ASP o N ? ? 1 +44884 C CA . ASP AG 99 0.3413 0.9315 0.9428 0.2081 -0.0639 0.0046 102 ASP o CA ? ? 1 +44885 C CB . ASP AG 99 0.3578 0.9331 0.9445 0.2163 -0.0690 0.0054 102 ASP o CB ? ? 1 +44886 C CG . ASP AG 99 0.3697 0.9206 0.9358 0.2135 -0.0679 0.0086 102 ASP o CG ? ? 1 +44887 O OD1 . ASP AG 99 0.3632 0.9085 0.9263 0.2038 -0.0636 0.0104 102 ASP o OD1 ? ? 1 +44888 O OD2 . ASP AG 99 0.3855 0.9226 0.9382 0.2209 -0.0714 0.0093 102 ASP o OD2 ? ? 1 +44889 C C . ASP AG 99 0.3268 0.9185 0.9306 0.1968 -0.0632 0.0066 102 ASP o C ? ? 1 +44890 O O . ASP AG 99 0.3251 0.9181 0.9291 0.1962 -0.0675 0.0073 102 ASP o O ? ? 1 +44891 N N . PHE AG 100 0.3158 0.9073 0.9212 0.1883 -0.0578 0.0075 103 PHE o N ? ? 1 +44892 C CA . PHE AG 100 0.3009 0.8965 0.9109 0.1776 -0.0567 0.0091 103 PHE o CA ? ? 1 +44893 C CB . PHE AG 100 0.3084 0.8841 0.9017 0.1728 -0.0565 0.0122 103 PHE o CB ? ? 1 +44894 C CG . PHE AG 100 0.3155 0.8770 0.8977 0.1707 -0.0518 0.0132 103 PHE o CG ? ? 1 +44895 C CD1 . PHE AG 100 0.3313 0.8810 0.9028 0.1787 -0.0517 0.0126 103 PHE o CD1 ? ? 1 +44896 C CD2 . PHE AG 100 0.3065 0.8669 0.8894 0.1611 -0.0476 0.0143 103 PHE o CD2 ? ? 1 +44897 C CE1 . PHE AG 100 0.3376 0.8741 0.8989 0.1767 -0.0475 0.0133 103 PHE o CE1 ? ? 1 +44898 C CE2 . PHE AG 100 0.3134 0.8613 0.8865 0.1593 -0.0436 0.0149 103 PHE o CE2 ? ? 1 +44899 C CZ . PHE AG 100 0.3287 0.8646 0.8910 0.1670 -0.0435 0.0143 103 PHE o CZ ? ? 1 +44900 C C . PHE AG 100 0.2870 0.8918 0.9066 0.1709 -0.0511 0.0086 103 PHE o C ? ? 1 +44901 O O . PHE AG 100 0.2909 0.8915 0.9072 0.1729 -0.0474 0.0079 103 PHE o O ? ? 1 +44902 N N . GLN AG 101 0.2713 0.8879 0.9019 0.1631 -0.0505 0.0089 104 GLN o N ? ? 1 +44903 C CA . GLN AG 101 0.2600 0.8821 0.8968 0.1550 -0.0453 0.0091 104 GLN o CA ? ? 1 +44904 C CB . GLN AG 101 0.2506 0.8926 0.9047 0.1562 -0.0433 0.0065 104 GLN o CB ? ? 1 +44905 C CG . GLN AG 101 0.2595 0.9031 0.9143 0.1652 -0.0422 0.0043 104 GLN o CG ? ? 1 +44906 C CD . GLN AG 101 0.2661 0.8975 0.9106 0.1644 -0.0375 0.0049 104 GLN o CD ? ? 1 +44907 O OE1 . GLN AG 101 0.2625 0.8863 0.9013 0.1566 -0.0347 0.0069 104 GLN o OE1 ? ? 1 +44908 N NE2 . GLN AG 101 0.2755 0.9053 0.9178 0.1728 -0.0366 0.0032 104 GLN o NE2 ? ? 1 +44909 C C . GLN AG 101 0.2492 0.8723 0.8877 0.1456 -0.0457 0.0111 104 GLN o C ? ? 1 +44910 O O . GLN AG 101 0.2437 0.8756 0.8895 0.1454 -0.0493 0.0107 104 GLN o O ? ? 1 +44911 N N . PRO AG 102 0.2458 0.8603 0.8780 0.1379 -0.0423 0.0130 105 PRO o N ? ? 1 +44912 C CA . PRO AG 102 0.2338 0.8524 0.8705 0.1289 -0.0420 0.0144 105 PRO o CA ? ? 1 +44913 C CB . PRO AG 102 0.2361 0.8410 0.8620 0.1228 -0.0385 0.0163 105 PRO o CB ? ? 1 +44914 C CG . PRO AG 102 0.2448 0.8441 0.8655 0.1274 -0.0357 0.0153 105 PRO o CG ? ? 1 +44915 C CD . PRO AG 102 0.2536 0.8544 0.8744 0.1374 -0.0386 0.0137 105 PRO o CD ? ? 1 +44916 C C . PRO AG 102 0.2200 0.8577 0.8738 0.1258 -0.0403 0.0129 105 PRO o C ? ? 1 +44917 O O . PRO AG 102 0.2181 0.8617 0.8771 0.1267 -0.0367 0.0116 105 PRO o O ? ? 1 +44918 N N . VAL AG 103 0.2110 0.8577 0.8729 0.1221 -0.0427 0.0131 106 VAL o N ? ? 1 +44919 C CA . VAL AG 103 0.1994 0.8634 0.8771 0.1183 -0.0412 0.0118 106 VAL o CA ? ? 1 +44920 C CB . VAL AG 103 0.1976 0.8755 0.8868 0.1238 -0.0450 0.0094 106 VAL o CB ? ? 1 +44921 C CG1 . VAL AG 103 0.1848 0.8804 0.8906 0.1193 -0.0432 0.0080 106 VAL o CG1 ? ? 1 +44922 C CG2 . VAL AG 103 0.2072 0.8850 0.8951 0.1334 -0.0457 0.0075 106 VAL o CG2 ? ? 1 +44923 C C . VAL AG 103 0.1916 0.8557 0.8705 0.1093 -0.0409 0.0136 106 VAL o C ? ? 1 +44924 O O . VAL AG 103 0.1936 0.8507 0.8661 0.1081 -0.0440 0.0150 106 VAL o O ? ? 1 +44925 N N . THR AG 104 0.1843 0.8562 0.8710 0.1032 -0.0370 0.0136 107 THR o N ? ? 1 +44926 C CA . THR AG 104 0.1784 0.8530 0.8685 0.0953 -0.0370 0.0150 107 THR o CA ? ? 1 +44927 C CB . THR AG 104 0.1758 0.8411 0.8585 0.0887 -0.0333 0.0170 107 THR o CB ? ? 1 +44928 O OG1 . THR AG 104 0.1855 0.8347 0.8537 0.0908 -0.0341 0.0182 107 THR o OG1 ? ? 1 +44929 C CG2 . THR AG 104 0.1656 0.8336 0.8517 0.0810 -0.0334 0.0183 107 THR o CG2 ? ? 1 +44930 C C . THR AG 104 0.1729 0.8648 0.8789 0.0930 -0.0364 0.0134 107 THR o C ? ? 1 +44931 O O . THR AG 104 0.1700 0.8695 0.8830 0.0926 -0.0326 0.0124 107 THR o O ? ? 1 +44932 N N . VAL AG 105 0.1759 0.8734 0.8871 0.0915 -0.0400 0.0132 108 VAL o N ? ? 1 +44933 C CA . VAL AG 105 0.1747 0.8881 0.9008 0.0887 -0.0398 0.0117 108 VAL o CA ? ? 1 +44934 C CB . VAL AG 105 0.1761 0.8986 0.9095 0.0941 -0.0448 0.0094 108 VAL o CB ? ? 1 +44935 C CG1 . VAL AG 105 0.1832 0.9071 0.9166 0.1029 -0.0454 0.0075 108 VAL o CG1 ? ? 1 +44936 C CG2 . VAL AG 105 0.1788 0.8937 0.9047 0.0942 -0.0497 0.0106 108 VAL o CG2 ? ? 1 +44937 C C . VAL AG 105 0.1775 0.8900 0.9039 0.0804 -0.0392 0.0134 108 VAL o C ? ? 1 +44938 O O . VAL AG 105 0.1831 0.8843 0.8994 0.0782 -0.0406 0.0154 108 VAL o O ? ? 1 +44939 N N . GLN AG 106 0.1818 0.9061 0.9199 0.0759 -0.0370 0.0127 109 GLN o N ? ? 1 +44940 C CA . GLN AG 106 0.1863 0.9104 0.9255 0.0682 -0.0361 0.0142 109 GLN o CA ? ? 1 +44941 C CB . GLN AG 106 0.1830 0.9079 0.9238 0.0634 -0.0306 0.0150 109 GLN o CB ? ? 1 +44942 C CG . GLN AG 106 0.1782 0.8986 0.9160 0.0560 -0.0296 0.0171 109 GLN o CG ? ? 1 +44943 C CD . GLN AG 106 0.1746 0.8934 0.9113 0.0523 -0.0245 0.0181 109 GLN o CD ? ? 1 +44944 O OE1 . GLN AG 106 0.1782 0.8880 0.9060 0.0537 -0.0227 0.0189 109 GLN o OE1 ? ? 1 +44945 N NE2 . GLN AG 106 0.1684 0.8957 0.9137 0.0476 -0.0221 0.0179 109 GLN o NE2 ? ? 1 +44946 C C . GLN AG 106 0.1927 0.9289 0.9434 0.0666 -0.0388 0.0126 109 GLN o C ? ? 1 +44947 O O . GLN AG 106 0.1899 0.9384 0.9519 0.0688 -0.0386 0.0103 109 GLN o O ? ? 1 +44948 N N . MET AG 107 0.2105 0.9427 0.9580 0.0629 -0.0414 0.0139 110 MET o N ? ? 1 +44949 C CA . MET AG 107 0.2238 0.9655 0.9806 0.0604 -0.0440 0.0127 110 MET o CA ? ? 1 +44950 C CB . MET AG 107 0.2505 0.9844 0.9996 0.0605 -0.0486 0.0137 110 MET o CB ? ? 1 +44951 C CG . MET AG 107 0.2875 1.0162 1.0299 0.0680 -0.0526 0.0130 110 MET o CG ? ? 1 +44952 S SD . MET AG 107 0.3455 1.0694 1.0824 0.0688 -0.0587 0.0133 110 MET o SD ? ? 1 +44953 C CE . MET AG 107 0.3223 1.0370 1.0523 0.0603 -0.0560 0.0163 110 MET o CE ? ? 1 +44954 C C . MET AG 107 0.2106 0.9569 0.9735 0.0527 -0.0404 0.0134 110 MET o C ? ? 1 +44955 O O . MET AG 107 0.2034 0.9435 0.9612 0.0492 -0.0366 0.0152 110 MET o O ? ? 1 +44956 N N . ALA AG 108 0.2040 0.9611 0.9777 0.0503 -0.0418 0.0118 111 ALA o N ? ? 1 +44957 C CA . ALA AG 108 0.1973 0.9587 0.9769 0.0432 -0.0389 0.0123 111 ALA o CA ? ? 1 +44958 C CB . ALA AG 108 0.1946 0.9677 0.9857 0.0417 -0.0414 0.0101 111 ALA o CB ? ? 1 +44959 C C . ALA AG 108 0.2023 0.9524 0.9719 0.0389 -0.0389 0.0151 111 ALA o C ? ? 1 +44960 O O . ALA AG 108 0.2155 0.9598 0.9790 0.0400 -0.0428 0.0156 111 ALA o O ? ? 1 +44961 N N . GLY AG 109 0.1996 0.9463 0.9670 0.0342 -0.0346 0.0168 112 GLY o N ? ? 1 +44962 C CA . GLY AG 109 0.1939 0.9307 0.9527 0.0301 -0.0344 0.0192 112 GLY o CA ? ? 1 +44963 C C . GLY AG 109 0.2019 0.9275 0.9495 0.0316 -0.0327 0.0210 112 GLY o C ? ? 1 +44964 O O . GLY AG 109 0.2013 0.9188 0.9419 0.0281 -0.0320 0.0229 112 GLY o O ? ? 1 +44965 N N . GLY AG 110 0.2059 0.9311 0.9520 0.0369 -0.0323 0.0201 113 GLY o N ? ? 1 +44966 C CA . GLY AG 110 0.2088 0.9247 0.9457 0.0383 -0.0300 0.0213 113 GLY o CA ? ? 1 +44967 C C . GLY AG 110 0.2218 0.9275 0.9483 0.0428 -0.0327 0.0217 113 GLY o C ? ? 1 +44968 O O . GLY AG 110 0.2310 0.9296 0.9504 0.0449 -0.0310 0.0223 113 GLY o O ? ? 1 +44969 N N . GLU AG 111 0.2328 0.9373 0.9579 0.0443 -0.0369 0.0215 114 GLU o N ? ? 1 +44970 C CA . GLU AG 111 0.2531 0.9470 0.9675 0.0483 -0.0395 0.0222 114 GLU o CA ? ? 1 +44971 C CB . GLU AG 111 0.2876 0.9813 1.0014 0.0490 -0.0439 0.0220 114 GLU o CB ? ? 1 +44972 C CG . GLU AG 111 0.3376 1.0190 1.0391 0.0526 -0.0464 0.0230 114 GLU o CG ? ? 1 +44973 C CD . GLU AG 111 0.3906 1.0712 1.0905 0.0542 -0.0509 0.0227 114 GLU o CD ? ? 1 +44974 O OE1 . GLU AG 111 0.4273 1.1178 1.1363 0.0530 -0.0528 0.0214 114 GLU o OE1 ? ? 1 +44975 O OE2 . GLU AG 111 0.4397 1.1091 1.1286 0.0564 -0.0525 0.0238 114 GLU o OE2 ? ? 1 +44976 C C . GLU AG 111 0.2418 0.9356 0.9550 0.0553 -0.0397 0.0209 114 GLU o C ? ? 1 +44977 O O . GLU AG 111 0.2328 0.9369 0.9548 0.0587 -0.0407 0.0188 114 GLU o O ? ? 1 +44978 N N . ARG AG 112 0.2242 0.9063 0.9264 0.0572 -0.0388 0.0219 115 ARG o N ? ? 1 +44979 C CA . ARG AG 112 0.2147 0.8944 0.9137 0.0637 -0.0386 0.0209 115 ARG o CA ? ? 1 +44980 C CB . ARG AG 112 0.2135 0.8850 0.9054 0.0624 -0.0347 0.0219 115 ARG o CB ? ? 1 +44981 C CG . ARG AG 112 0.2043 0.8841 0.9041 0.0590 -0.0306 0.0215 115 ARG o CG ? ? 1 +44982 C CD . ARG AG 112 0.2042 0.8755 0.8967 0.0553 -0.0275 0.0229 115 ARG o CD ? ? 1 +44983 N NE . ARG AG 112 0.2000 0.8778 0.8984 0.0526 -0.0235 0.0226 115 ARG o NE ? ? 1 +44984 C CZ . ARG AG 112 0.2027 0.8744 0.8955 0.0497 -0.0205 0.0235 115 ARG o CZ ? ? 1 +44985 N NH1 . ARG AG 112 0.2077 0.8675 0.8900 0.0482 -0.0211 0.0248 115 ARG o NH1 ? ? 1 +44986 N NH2 . ARG AG 112 0.2030 0.8805 0.9008 0.0481 -0.0169 0.0231 115 ARG o NH2 ? ? 1 +44987 C C . ARG AG 112 0.2138 0.8854 0.9044 0.0691 -0.0426 0.0210 115 ARG o C ? ? 1 +44988 O O . ARG AG 112 0.2111 0.8723 0.8925 0.0672 -0.0436 0.0226 115 ARG o O ? ? 1 +44989 N N . ILE AG 113 0.2118 0.8884 0.9058 0.0759 -0.0447 0.0192 116 ILE o N ? ? 1 +44990 C CA . ILE AG 113 0.2149 0.8846 0.9013 0.0820 -0.0488 0.0190 116 ILE o CA ? ? 1 +44991 C CB . ILE AG 113 0.2143 0.8948 0.9095 0.0854 -0.0533 0.0171 116 ILE o CB ? ? 1 +44992 C CG1 . ILE AG 113 0.2068 0.8953 0.9100 0.0792 -0.0539 0.0171 116 ILE o CG1 ? ? 1 +44993 C CG2 . ILE AG 113 0.2244 0.8960 0.9098 0.0915 -0.0579 0.0173 116 ILE o CG2 ? ? 1 +44994 C CD1 . ILE AG 113 0.2112 0.8896 0.9053 0.0755 -0.0553 0.0192 116 ILE o CD1 ? ? 1 +44995 C C . ILE AG 113 0.2176 0.8811 0.8978 0.0882 -0.0478 0.0185 116 ILE o C ? ? 1 +44996 O O . ILE AG 113 0.2203 0.8925 0.9077 0.0932 -0.0481 0.0165 116 ILE o O ? ? 1 +44997 N N . PRO AG 114 0.2175 0.8659 0.8844 0.0881 -0.0465 0.0202 117 PRO o N ? ? 1 +44998 C CA . PRO AG 114 0.2236 0.8642 0.8828 0.0947 -0.0462 0.0197 117 PRO o CA ? ? 1 +44999 C CB . PRO AG 114 0.2283 0.8545 0.8758 0.0906 -0.0431 0.0217 117 PRO o CB ? ? 1 +45000 C CG . PRO AG 114 0.2233 0.8474 0.8696 0.0837 -0.0435 0.0233 117 PRO o CG ? ? 1 +45001 C CD . PRO AG 114 0.2140 0.8526 0.8732 0.0814 -0.0449 0.0225 117 PRO o CD ? ? 1 +45002 C C . PRO AG 114 0.2286 0.8648 0.8824 0.1020 -0.0509 0.0193 117 PRO o C ? ? 1 +45003 O O . PRO AG 114 0.2335 0.8643 0.8820 0.1009 -0.0537 0.0204 117 PRO o O ? ? 1 +45004 N N . LEU AG 115 0.2281 0.8669 0.8832 0.1096 -0.0518 0.0175 118 LEU o N ? ? 1 +45005 C CA . LEU AG 115 0.2347 0.8679 0.8831 0.1176 -0.0562 0.0171 118 LEU o CA ? ? 1 +45006 C CB . LEU AG 115 0.2296 0.8779 0.8902 0.1218 -0.0604 0.0147 118 LEU o CB ? ? 1 +45007 C CG . LEU AG 115 0.2227 0.8871 0.8979 0.1239 -0.0587 0.0121 118 LEU o CG ? ? 1 +45008 C CD1 . LEU AG 115 0.2270 0.9000 0.9082 0.1323 -0.0633 0.0096 118 LEU o CD1 ? ? 1 +45009 C CD2 . LEU AG 115 0.2080 0.8855 0.8962 0.1161 -0.0566 0.0118 118 LEU o CD2 ? ? 1 +45010 C C . LEU AG 115 0.2422 0.8675 0.8833 0.1242 -0.0549 0.0165 118 LEU o C ? ? 1 +45011 O O . LEU AG 115 0.2383 0.8672 0.8834 0.1235 -0.0510 0.0158 118 LEU o O ? ? 1 +45012 N N . LEU AG 116 0.2524 0.8664 0.8823 0.1307 -0.0581 0.0169 119 LEU o N ? ? 1 +45013 C CA . LEU AG 116 0.2627 0.8690 0.8852 0.1382 -0.0576 0.0162 119 LEU o CA ? ? 1 +45014 C CB . LEU AG 116 0.2762 0.8613 0.8800 0.1398 -0.0581 0.0183 119 LEU o CB ? ? 1 +45015 C CG . LEU AG 116 0.2885 0.8632 0.8831 0.1461 -0.0565 0.0179 119 LEU o CG ? ? 1 +45016 C CD1 . LEU AG 116 0.2858 0.8559 0.8782 0.1405 -0.0511 0.0185 119 LEU o CD1 ? ? 1 +45017 C CD2 . LEU AG 116 0.3050 0.8611 0.8824 0.1509 -0.0589 0.0194 119 LEU o CD2 ? ? 1 +45018 C C . LEU AG 116 0.2642 0.8814 0.8946 0.1468 -0.0619 0.0138 119 LEU o C ? ? 1 +45019 O O . LEU AG 116 0.2714 0.8830 0.8952 0.1519 -0.0665 0.0140 119 LEU o O ? ? 1 +45020 N N . PHE AG 117 0.2572 0.8901 0.9017 0.1482 -0.0604 0.0114 120 PHE o N ? ? 1 +45021 C CA . PHE AG 117 0.2588 0.9042 0.9128 0.1563 -0.0641 0.0086 120 PHE o CA ? ? 1 +45022 C CB . PHE AG 117 0.2485 0.9127 0.9200 0.1550 -0.0611 0.0062 120 PHE o CB ? ? 1 +45023 C CG . PHE AG 117 0.2515 0.9291 0.9336 0.1636 -0.0642 0.0029 120 PHE o CG ? ? 1 +45024 C CD1 . PHE AG 117 0.2547 0.9368 0.9392 0.1683 -0.0704 0.0018 120 PHE o CD1 ? ? 1 +45025 C CD2 . PHE AG 117 0.2513 0.9374 0.9413 0.1670 -0.0608 0.0008 120 PHE o CD2 ? ? 1 +45026 C CE1 . PHE AG 117 0.2574 0.9527 0.9524 0.1764 -0.0736 -0.0015 120 PHE o CE1 ? ? 1 +45027 C CE2 . PHE AG 117 0.2535 0.9531 0.9544 0.1750 -0.0635 -0.0024 120 PHE o CE2 ? ? 1 +45028 C CZ . PHE AG 117 0.2558 0.9601 0.9594 0.1796 -0.0700 -0.0037 120 PHE o CZ ? ? 1 +45029 C C . PHE AG 117 0.2738 0.9078 0.9166 0.1660 -0.0655 0.0082 120 PHE o C ? ? 1 +45030 O O . PHE AG 117 0.2792 0.9070 0.9173 0.1670 -0.0616 0.0083 120 PHE o O ? ? 1 +45031 N N . THR AG 118 0.2817 0.9122 0.9194 0.1730 -0.0711 0.0079 121 THR o N ? ? 1 +45032 C CA . THR AG 118 0.2986 0.9150 0.9228 0.1819 -0.0726 0.0081 121 THR o CA ? ? 1 +45033 C CB . THR AG 118 0.3068 0.9006 0.9116 0.1784 -0.0714 0.0115 121 THR o CB ? ? 1 +45034 O OG1 . THR AG 118 0.3224 0.9008 0.9131 0.1861 -0.0716 0.0118 121 THR o OG1 ? ? 1 +45035 C CG2 . THR AG 118 0.3076 0.8966 0.9070 0.1763 -0.0755 0.0130 121 THR o CG2 ? ? 1 +45036 C C . THR AG 118 0.3070 0.9281 0.9329 0.1917 -0.0791 0.0062 121 THR o C ? ? 1 +45037 O O . THR AG 118 0.3002 0.9324 0.9349 0.1907 -0.0830 0.0053 121 THR o O ? ? 1 +45038 N N . VAL AG 119 0.3233 0.9356 0.9404 0.2011 -0.0804 0.0056 122 VAL o N ? ? 1 +45039 C CA . VAL AG 119 0.3375 0.9482 0.9505 0.2113 -0.0869 0.0045 122 VAL o CA ? ? 1 +45040 C CB . VAL AG 119 0.3354 0.9649 0.9641 0.2193 -0.0890 0.0005 122 VAL o CB ? ? 1 +45041 C CG1 . VAL AG 119 0.3183 0.9705 0.9676 0.2139 -0.0894 -0.0016 122 VAL o CG1 ? ? 1 +45042 C CG2 . VAL AG 119 0.3388 0.9676 0.9681 0.2226 -0.0841 -0.0005 122 VAL o CG2 ? ? 1 +45043 C C . VAL AG 119 0.3590 0.9462 0.9506 0.2170 -0.0873 0.0066 122 VAL o C ? ? 1 +45044 O O . VAL AG 119 0.3720 0.9559 0.9588 0.2275 -0.0912 0.0054 122 VAL o O ? ? 1 +45045 N N . LYS AG 120 0.3654 0.9361 0.9441 0.2099 -0.0834 0.0096 123 LYS o N ? ? 1 +45046 C CA . LYS AG 120 0.3861 0.9334 0.9441 0.2139 -0.0831 0.0117 123 LYS o CA ? ? 1 +45047 C CB . LYS AG 120 0.3853 0.9179 0.9325 0.2035 -0.0785 0.0149 123 LYS o CB ? ? 1 +45048 C CG . LYS AG 120 0.3805 0.9129 0.9301 0.1982 -0.0722 0.0148 123 LYS o CG ? ? 1 +45049 C CD . LYS AG 120 0.3828 0.8996 0.9208 0.1889 -0.0682 0.0177 123 LYS o CD ? ? 1 +45050 C CE . LYS AG 120 0.3925 0.8964 0.9208 0.1896 -0.0638 0.0180 123 LYS o CE ? ? 1 +45051 N NZ . LYS AG 120 0.3812 0.8987 0.9226 0.1867 -0.0599 0.0162 123 LYS o NZ ? ? 1 +45052 C C . LYS AG 120 0.4024 0.9409 0.9497 0.2219 -0.0894 0.0122 123 LYS o C ? ? 1 +45053 O O . LYS AG 120 0.4002 0.9413 0.9486 0.2192 -0.0928 0.0129 123 LYS o O ? ? 1 +45054 N N . ASN AG 121 0.4208 0.9480 0.9572 0.2320 -0.0910 0.0119 124 ASN o N ? ? 1 +45055 C CA . ASN AG 121 0.4401 0.9567 0.9643 0.2407 -0.0969 0.0124 124 ASN o CA ? ? 1 +45056 C CB . ASN AG 121 0.4483 0.9454 0.9553 0.2350 -0.0966 0.0161 124 ASN o CB ? ? 1 +45057 C CG . ASN AG 121 0.4581 0.9368 0.9517 0.2309 -0.0907 0.0182 124 ASN o CG ? ? 1 +45058 O OD1 . ASN AG 121 0.4740 0.9420 0.9584 0.2380 -0.0901 0.0179 124 ASN o OD1 ? ? 1 +45059 N ND2 . ASN AG 121 0.4512 0.9263 0.9439 0.2195 -0.0862 0.0202 124 ASN o ND2 ? ? 1 +45060 C C . ASN AG 121 0.4356 0.9709 0.9735 0.2460 -0.1034 0.0097 124 ASN o C ? ? 1 +45061 O O . ASN AG 121 0.4437 0.9736 0.9743 0.2492 -0.1086 0.0105 124 ASN o O ? ? 1 +45062 N N . LEU AG 122 0.4240 0.9811 0.9817 0.2469 -0.1029 0.0065 125 LEU o N ? ? 1 +45063 C CA . LEU AG 122 0.4187 0.9956 0.9916 0.2514 -0.1087 0.0035 125 LEU o CA ? ? 1 +45064 C CB . LEU AG 122 0.4046 1.0047 0.9994 0.2508 -0.1062 0.0001 125 LEU o CB ? ? 1 +45065 C CG . LEU AG 122 0.3983 1.0205 1.0108 0.2556 -0.1119 -0.0036 125 LEU o CG ? ? 1 +45066 C CD1 . LEU AG 122 0.3879 1.0175 1.0063 0.2482 -0.1146 -0.0031 125 LEU o CD1 ? ? 1 +45067 C CD2 . LEU AG 122 0.3873 1.0300 1.0196 0.2555 -0.1085 -0.0068 125 LEU o CD2 ? ? 1 +45068 C C . LEU AG 122 0.4359 1.0059 0.9995 0.2647 -0.1152 0.0026 125 LEU o C ? ? 1 +45069 O O . LEU AG 122 0.4479 1.0080 1.0028 0.2723 -0.1143 0.0024 125 LEU o O ? ? 1 +45070 N N . VAL AG 123 0.4385 1.0121 1.0024 0.2672 -0.1217 0.0021 126 VAL o N ? ? 1 +45071 C CA . VAL AG 123 0.4540 1.0270 1.0138 0.2800 -0.1291 0.0004 126 VAL o CA ? ? 1 +45072 C CB . VAL AG 123 0.4727 1.0226 1.0094 0.2834 -0.1328 0.0035 126 VAL o CB ? ? 1 +45073 C CG1 . VAL AG 123 0.4870 1.0376 1.0203 0.2972 -0.1412 0.0014 126 VAL o CG1 ? ? 1 +45074 C CG2 . VAL AG 123 0.4859 1.0109 1.0026 0.2821 -0.1274 0.0069 126 VAL o CG2 ? ? 1 +45075 C C . VAL AG 123 0.4420 1.0403 1.0227 0.2803 -0.1341 -0.0032 126 VAL o C ? ? 1 +45076 O O . VAL AG 123 0.4317 1.0349 1.0165 0.2727 -0.1351 -0.0025 126 VAL o O ? ? 1 +45077 N N . ALA AG 124 0.4428 1.0569 1.0367 0.2890 -0.1368 -0.0071 127 ALA o N ? ? 1 +45078 C CA . ALA AG 124 0.4302 1.0703 1.0464 0.2889 -0.1406 -0.0110 127 ALA o CA ? ? 1 +45079 C CB . ALA AG 124 0.4119 1.0699 1.0476 0.2815 -0.1341 -0.0128 127 ALA o CB ? ? 1 +45080 C C . ALA AG 124 0.4421 1.0903 1.0624 0.3028 -0.1480 -0.0146 127 ALA o C ? ? 1 +45081 O O . ALA AG 124 0.4477 1.0946 1.0671 0.3110 -0.1470 -0.0158 127 ALA o O ? ? 1 +45082 N N . SER AG 125 0.4453 1.1025 1.0706 0.3051 -0.1554 -0.0163 128 SER o N ? ? 1 +45083 C CA . SER AG 125 0.4593 1.1240 1.0878 0.3182 -0.1637 -0.0197 128 SER o CA ? ? 1 +45084 C CB . SER AG 125 0.4739 1.1218 1.0833 0.3232 -0.1707 -0.0177 128 SER o CB ? ? 1 +45085 O OG . SER AG 125 0.4908 1.1116 1.0761 0.3263 -0.1680 -0.0138 128 SER o OG ? ? 1 +45086 C C . SER AG 125 0.4511 1.1454 1.1058 0.3176 -0.1672 -0.0247 128 SER o C ? ? 1 +45087 O O . SER AG 125 0.4331 1.1388 1.0998 0.3068 -0.1648 -0.0249 128 SER o O ? ? 1 +45088 N N . THR AG 126 0.4660 1.1719 1.1289 0.3296 -0.1727 -0.0287 129 THR o N ? ? 1 +45089 C CA . THR AG 126 0.4628 1.1961 1.1494 0.3312 -0.1777 -0.0338 129 THR o CA ? ? 1 +45090 C CB . THR AG 126 0.4630 1.2108 1.1628 0.3412 -0.1780 -0.0380 129 THR o CB ? ? 1 +45091 O OG1 . THR AG 126 0.4812 1.2140 1.1643 0.3549 -0.1832 -0.0376 129 THR o OG1 ? ? 1 +45092 C CG2 . THR AG 126 0.4534 1.2036 1.1596 0.3359 -0.1679 -0.0373 129 THR o CG2 ? ? 1 +45093 C C . THR AG 126 0.4828 1.2150 1.1639 0.3364 -0.1877 -0.0348 129 THR o C ? ? 1 +45094 O O . THR AG 126 0.4940 1.2040 1.1528 0.3388 -0.1904 -0.0313 129 THR o O ? ? 1 +45095 N N . GLN AG 127 0.4920 1.2486 1.1939 0.3380 -0.1932 -0.0397 130 GLN o N ? ? 1 +45096 C CA . GLN AG 127 0.5172 1.2766 1.2168 0.3461 -0.2039 -0.0420 130 GLN o CA ? ? 1 +45097 C CB . GLN AG 127 0.5127 1.3023 1.2396 0.3437 -0.2081 -0.0476 130 GLN o CB ? ? 1 +45098 C CG . GLN AG 127 0.5139 1.3271 1.2644 0.3470 -0.2055 -0.0523 130 GLN o CG ? ? 1 +45099 C CD . GLN AG 127 0.5061 1.3298 1.2713 0.3344 -0.1951 -0.0518 130 GLN o CD ? ? 1 +45100 O OE1 . GLN AG 127 0.4988 1.3070 1.2527 0.3251 -0.1874 -0.0471 130 GLN o OE1 ? ? 1 +45101 N NE2 . GLN AG 127 0.4971 1.3477 1.2882 0.3339 -0.1948 -0.0570 130 GLN o NE2 ? ? 1 +45102 C C . GLN AG 127 0.5389 1.2896 1.2275 0.3621 -0.2092 -0.0429 130 GLN o C ? ? 1 +45103 O O . GLN AG 127 0.5420 1.2897 1.2299 0.3663 -0.2045 -0.0427 130 GLN o O ? ? 1 +45104 N N . PRO AG 128 0.5629 1.3081 1.2416 0.3715 -0.2191 -0.0438 131 PRO o N ? ? 1 +45105 C CA . PRO AG 128 0.5948 1.3329 1.2638 0.3875 -0.2249 -0.0450 131 PRO o CA ? ? 1 +45106 C CB . PRO AG 128 0.6037 1.3340 1.2601 0.3937 -0.2354 -0.0451 131 PRO o CB ? ? 1 +45107 C CG . PRO AG 128 0.5904 1.3149 1.2423 0.3802 -0.2330 -0.0422 131 PRO o CG ? ? 1 +45108 C CD . PRO AG 128 0.5639 1.3077 1.2384 0.3675 -0.2251 -0.0435 131 PRO o CD ? ? 1 +45109 C C . PRO AG 128 0.6075 1.3704 1.2991 0.3959 -0.2272 -0.0509 131 PRO o C ? ? 1 +45110 O O . PRO AG 128 0.5852 1.3734 1.3019 0.3897 -0.2256 -0.0547 131 PRO o O ? ? 1 +45111 N N . ASN AG 129 0.6547 1.4094 1.3366 0.4101 -0.2308 -0.0515 132 ASN o N ? ? 1 +45112 C CA . ASN AG 129 0.6845 1.4601 1.3846 0.4208 -0.2343 -0.0571 132 ASN o CA ? ? 1 +45113 C CB . ASN AG 129 0.7001 1.4920 1.4104 0.4283 -0.2461 -0.0619 132 ASN o CB ? ? 1 +45114 C CG . ASN AG 129 0.7343 1.5402 1.4554 0.4432 -0.2514 -0.0668 132 ASN o CG ? ? 1 +45115 O OD1 . ASN AG 129 0.7416 1.5761 1.4898 0.4431 -0.2521 -0.0723 132 ASN o OD1 ? ? 1 +45116 N ND2 . ASN AG 129 0.7698 1.5557 1.4701 0.4563 -0.2547 -0.0651 132 ASN o ND2 ? ? 1 +45117 C C . ASN AG 129 0.6766 1.4752 1.4023 0.4133 -0.2263 -0.0599 132 ASN o C ? ? 1 +45118 O O . ASN AG 129 0.6731 1.4989 1.4236 0.4122 -0.2290 -0.0650 132 ASN o O ? ? 1 +45119 N N . VAL AG 130 0.6802 1.4673 1.3994 0.4081 -0.2162 -0.0565 133 VAL o N ? ? 1 +45120 C CA . VAL AG 130 0.6605 1.4663 1.4008 0.4028 -0.2082 -0.0589 133 VAL o CA ? ? 1 +45121 C CB . VAL AG 130 0.6509 1.4455 1.3854 0.3883 -0.1973 -0.0543 133 VAL o CB ? ? 1 +45122 C CG1 . VAL AG 130 0.6352 1.4474 1.3898 0.3833 -0.1886 -0.0565 133 VAL o CG1 ? ? 1 +45123 C CG2 . VAL AG 130 0.6364 1.4308 1.3709 0.3758 -0.1979 -0.0523 133 VAL o CG2 ? ? 1 +45124 C C . VAL AG 130 0.6697 1.4757 1.4098 0.4162 -0.2080 -0.0610 133 VAL o C ? ? 1 +45125 O O . VAL AG 130 0.6675 1.4544 1.3919 0.4176 -0.2021 -0.0576 133 VAL o O ? ? 1 +45126 N N . THR AG 131 0.6779 1.5054 1.4352 0.4263 -0.2149 -0.0667 134 THR o N ? ? 1 +45127 C CA . THR AG 131 0.6921 1.5251 1.4539 0.4393 -0.2151 -0.0697 134 THR o CA ? ? 1 +45128 C CB . THR AG 131 0.7118 1.5713 1.4948 0.4493 -0.2242 -0.0765 134 THR o CB ? ? 1 +45129 O OG1 . THR AG 131 0.7079 1.5964 1.5200 0.4399 -0.2206 -0.0805 134 THR o OG1 ? ? 1 +45130 C CG2 . THR AG 131 0.7272 1.5828 1.5018 0.4547 -0.2359 -0.0770 134 THR o CG2 ? ? 1 +45131 C C . THR AG 131 0.6759 1.5166 1.4494 0.4327 -0.2037 -0.0698 134 THR o C ? ? 1 +45132 O O . THR AG 131 0.6861 1.5160 1.4507 0.4395 -0.1996 -0.0689 134 THR o O ? ? 1 +45133 N N . SER AG 132 0.6500 1.5089 1.4429 0.4194 -0.1987 -0.0710 135 SER o N ? ? 1 +45134 C CA . SER AG 132 0.6326 1.5017 1.4391 0.4117 -0.1879 -0.0715 135 SER o CA ? ? 1 +45135 C CB . SER AG 132 0.6340 1.5355 1.4703 0.4157 -0.1888 -0.0782 135 SER o CB ? ? 1 +45136 O OG . SER AG 132 0.6349 1.5477 1.4854 0.4081 -0.1783 -0.0789 135 SER o OG ? ? 1 +45137 C C . SER AG 132 0.6008 1.4683 1.4089 0.3943 -0.1814 -0.0683 135 SER o C ? ? 1 +45138 O O . SER AG 132 0.6009 1.4745 1.4137 0.3881 -0.1859 -0.0686 135 SER o O ? ? 1 +45139 N N . ILE AG 133 0.5786 1.4376 1.3825 0.3868 -0.1711 -0.0653 136 ILE o N ? ? 1 +45140 C CA . ILE AG 133 0.5566 1.4160 1.3639 0.3705 -0.1643 -0.0626 136 ILE o CA ? ? 1 +45141 C CB . ILE AG 133 0.5595 1.3974 1.3500 0.3648 -0.1549 -0.0577 136 ILE o CB ? ? 1 +45142 C CG1 . ILE AG 133 0.5787 1.3860 1.3398 0.3674 -0.1580 -0.0526 136 ILE o CG1 ? ? 1 +45143 C CG2 . ILE AG 133 0.5392 1.3833 1.3388 0.3486 -0.1466 -0.0560 136 ILE o CG2 ? ? 1 +45144 C CD1 . ILE AG 133 0.5793 1.3650 1.3234 0.3603 -0.1497 -0.0477 136 ILE o CD1 ? ? 1 +45145 C C . ILE AG 133 0.5294 1.4194 1.3665 0.3645 -0.1612 -0.0673 136 ILE o C ? ? 1 +45146 O O . ILE AG 133 0.5227 1.4252 1.3726 0.3682 -0.1565 -0.0702 136 ILE o O ? ? 1 +45147 N N . THR AG 134 0.5105 1.4117 1.3581 0.3553 -0.1637 -0.0681 137 THR o N ? ? 1 +45148 C CA . THR AG 134 0.4914 1.4215 1.3672 0.3491 -0.1618 -0.0726 137 THR o CA ? ? 1 +45149 C CB . THR AG 134 0.4894 1.4375 1.3787 0.3557 -0.1724 -0.0776 137 THR o CB ? ? 1 +45150 O OG1 . THR AG 134 0.4798 1.4230 1.3637 0.3485 -0.1772 -0.0759 137 THR o OG1 ? ? 1 +45151 C CG2 . THR AG 134 0.5077 1.4486 1.3865 0.3723 -0.1807 -0.0790 137 THR o CG2 ? ? 1 +45152 C C . THR AG 134 0.4791 1.4086 1.3573 0.3327 -0.1559 -0.0698 137 THR o C ? ? 1 +45153 O O . THR AG 134 0.4881 1.3958 1.3469 0.3269 -0.1538 -0.0646 137 THR o O ? ? 1 +45154 N N . THR AG 135 0.4655 1.4194 1.3681 0.3253 -0.1535 -0.0735 138 THR o N ? ? 1 +45155 C CA . THR AG 135 0.4542 1.4098 1.3611 0.3100 -0.1484 -0.0713 138 THR o CA ? ? 1 +45156 C CB . THR AG 135 0.4389 1.4215 1.3733 0.3034 -0.1433 -0.0756 138 THR o CB ? ? 1 +45157 O OG1 . THR AG 135 0.4423 1.4454 1.3940 0.3068 -0.1515 -0.0808 138 THR o OG1 ? ? 1 +45158 C CG2 . THR AG 135 0.4412 1.4316 1.3841 0.3081 -0.1362 -0.0775 138 THR o CG2 ? ? 1 +45159 C C . THR AG 135 0.4551 1.4054 1.3555 0.3059 -0.1558 -0.0702 138 THR o C ? ? 1 +45160 O O . THR AG 135 0.4592 1.4089 1.3612 0.2937 -0.1526 -0.0682 138 THR o O ? ? 1 +45161 N N . SER AG 136 0.4716 1.4187 1.3653 0.3165 -0.1658 -0.0716 139 SER o N ? ? 1 +45162 C CA . SER AG 136 0.4697 1.4074 1.3525 0.3147 -0.1734 -0.0700 139 SER o CA ? ? 1 +45163 C CB . SER AG 136 0.4828 1.4318 1.3719 0.3260 -0.1847 -0.0747 139 SER o CB ? ? 1 +45164 O OG . SER AG 136 0.4834 1.4608 1.3995 0.3229 -0.1864 -0.0803 139 SER o OG ? ? 1 +45165 C C . SER AG 136 0.4693 1.3760 1.3225 0.3158 -0.1733 -0.0640 139 SER o C ? ? 1 +45166 O O . SER AG 136 0.4652 1.3614 1.3072 0.3122 -0.1776 -0.0617 139 SER o O ? ? 1 +45167 N N . THR AG 137 0.4722 1.3649 1.3130 0.3210 -0.1685 -0.0616 140 THR o N ? ? 1 +45168 C CA . THR AG 137 0.4921 1.3553 1.3050 0.3230 -0.1684 -0.0562 140 THR o CA ? ? 1 +45169 C CB . THR AG 137 0.5095 1.3621 1.3127 0.3324 -0.1651 -0.0554 140 THR o CB ? ? 1 +45170 O OG1 . THR AG 137 0.5143 1.3827 1.3299 0.3448 -0.1704 -0.0605 140 THR o OG1 ? ? 1 +45171 C CG2 . THR AG 137 0.5318 1.3539 1.3056 0.3369 -0.1668 -0.0504 140 THR o CG2 ? ? 1 +45172 C C . THR AG 137 0.4826 1.3337 1.2872 0.3088 -0.1618 -0.0515 140 THR o C ? ? 1 +45173 O O . THR AG 137 0.4510 1.3118 1.2677 0.2993 -0.1542 -0.0515 140 THR o O ? ? 1 +45174 N N . ASP AG 138 0.4994 1.3297 1.2834 0.3075 -0.1649 -0.0475 141 ASP o N ? ? 1 +45175 C CA . ASP AG 138 0.5158 1.3340 1.2910 0.2947 -0.1597 -0.0431 141 ASP o CA ? ? 1 +45176 C CB . ASP AG 138 0.5383 1.3661 1.3215 0.2876 -0.1642 -0.0442 141 ASP o CB ? ? 1 +45177 C CG . ASP AG 138 0.5558 1.4087 1.3645 0.2792 -0.1613 -0.0476 141 ASP o CG ? ? 1 +45178 O OD1 . ASP AG 138 0.5908 1.4529 1.4108 0.2762 -0.1538 -0.0485 141 ASP o OD1 ? ? 1 +45179 O OD2 . ASP AG 138 0.5656 1.4283 1.3824 0.2751 -0.1660 -0.0494 141 ASP o OD2 ? ? 1 +45180 C C . ASP AG 138 0.5080 1.2966 1.2553 0.2969 -0.1592 -0.0379 141 ASP o C ? ? 1 +45181 O O . ASP AG 138 0.5286 1.3062 1.2625 0.3062 -0.1661 -0.0376 141 ASP o O ? ? 1 +45182 N N . PHE AG 139 0.4812 1.2572 1.2200 0.2886 -0.1509 -0.0340 142 PHE o N ? ? 1 +45183 C CA . PHE AG 139 0.4845 1.2327 1.1978 0.2885 -0.1495 -0.0290 142 PHE o CA ? ? 1 +45184 C CB . PHE AG 139 0.4795 1.2171 1.1857 0.2880 -0.1415 -0.0270 142 PHE o CB ? ? 1 +45185 C CG . PHE AG 139 0.4819 1.2195 1.1872 0.3006 -0.1426 -0.0291 142 PHE o CG ? ? 1 +45186 C CD1 . PHE AG 139 0.4699 1.2302 1.1961 0.3045 -0.1421 -0.0337 142 PHE o CD1 ? ? 1 +45187 C CD2 . PHE AG 139 0.4987 1.2135 1.1821 0.3084 -0.1438 -0.0266 142 PHE o CD2 ? ? 1 +45188 C CE1 . PHE AG 139 0.4820 1.2425 1.2074 0.3164 -0.1430 -0.0358 142 PHE o CE1 ? ? 1 +45189 C CE2 . PHE AG 139 0.5099 1.2241 1.1918 0.3203 -0.1448 -0.0286 142 PHE o CE2 ? ? 1 +45190 C CZ . PHE AG 139 0.5009 1.2382 1.2040 0.3244 -0.1445 -0.0332 142 PHE o CZ ? ? 1 +45191 C C . PHE AG 139 0.4746 1.2146 1.1813 0.2767 -0.1480 -0.0257 142 PHE o C ? ? 1 +45192 O O . PHE AG 139 0.4522 1.2016 1.1702 0.2659 -0.1426 -0.0255 142 PHE o O ? ? 1 +45193 N N . LYS AG 140 0.4914 1.2137 1.1796 0.2789 -0.1526 -0.0231 143 LYS o N ? ? 1 +45194 C CA . LYS AG 140 0.4967 1.2076 1.1753 0.2686 -0.1508 -0.0195 143 LYS o CA ? ? 1 +45195 C CB . LYS AG 140 0.5242 1.2406 1.2048 0.2684 -0.1583 -0.0207 143 LYS o CB ? ? 1 +45196 C CG . LYS AG 140 0.5377 1.2810 1.2434 0.2645 -0.1600 -0.0251 143 LYS o CG ? ? 1 +45197 C CD . LYS AG 140 0.5596 1.3085 1.2675 0.2642 -0.1676 -0.0266 143 LYS o CD ? ? 1 +45198 C CE . LYS AG 140 0.5632 1.3398 1.2969 0.2622 -0.1698 -0.0316 143 LYS o CE ? ? 1 +45199 N NZ . LYS AG 140 0.5542 1.3410 1.3016 0.2496 -0.1618 -0.0312 143 LYS o NZ ? ? 1 +45200 C C . LYS AG 140 0.4923 1.1752 1.1455 0.2698 -0.1484 -0.0148 143 LYS o C ? ? 1 +45201 O O . LYS AG 140 0.5027 1.1735 1.1426 0.2802 -0.1523 -0.0145 143 LYS o O ? ? 1 +45202 N N . GLY AG 141 0.4729 1.1455 1.1195 0.2590 -0.1420 -0.0113 144 GLY o N ? ? 1 +45203 C CA . GLY AG 141 0.4783 1.1255 1.1026 0.2591 -0.1385 -0.0071 144 GLY o CA ? ? 1 +45204 C C . GLY AG 141 0.4683 1.1043 1.0848 0.2469 -0.1331 -0.0033 144 GLY o C ? ? 1 +45205 O O . GLY AG 141 0.4474 1.0955 1.0764 0.2375 -0.1310 -0.0037 144 GLY o O ? ? 1 +45206 N N . GLU AG 142 0.4840 1.0963 1.0795 0.2473 -0.1308 0.0004 145 GLU o N ? ? 1 +45207 C CA . GLU AG 142 0.4772 1.0762 1.0628 0.2367 -0.1255 0.0041 145 GLU o CA ? ? 1 +45208 C CB . GLU AG 142 0.5121 1.0919 1.0781 0.2379 -0.1288 0.0069 145 GLU o CB ? ? 1 +45209 C CG . GLU AG 142 0.5317 1.1205 1.1033 0.2359 -0.1342 0.0060 145 GLU o CG ? ? 1 +45210 C CD . GLU AG 142 0.5731 1.1424 1.1243 0.2383 -0.1377 0.0087 145 GLU o CD ? ? 1 +45211 O OE1 . GLU AG 142 0.5990 1.1508 1.1333 0.2459 -0.1386 0.0101 145 GLU o OE1 ? ? 1 +45212 O OE2 . GLU AG 142 0.5951 1.1657 1.1464 0.2325 -0.1392 0.0094 145 GLU o OE2 ? ? 1 +45213 C C . GLU AG 142 0.4609 1.0477 1.0386 0.2349 -0.1186 0.0060 145 GLU o C ? ? 1 +45214 O O . GLU AG 142 0.4670 1.0463 1.0376 0.2435 -0.1190 0.0055 145 GLU o O ? ? 1 +45215 N N . PHE AG 143 0.4359 1.0200 1.0142 0.2237 -0.1125 0.0081 146 PHE o N ? ? 1 +45216 C CA . PHE AG 143 0.4294 1.0008 0.9991 0.2204 -0.1059 0.0100 146 PHE o CA ? ? 1 +45217 C CB . PHE AG 143 0.4142 1.0019 1.0008 0.2176 -0.1014 0.0079 146 PHE o CB ? ? 1 +45218 C CG . PHE AG 143 0.3919 0.9987 0.9966 0.2089 -0.1002 0.0067 146 PHE o CG ? ? 1 +45219 C CD1 . PHE AG 143 0.3844 1.0111 1.0054 0.2119 -0.1047 0.0035 146 PHE o CD1 ? ? 1 +45220 C CD2 . PHE AG 143 0.3809 0.9858 0.9865 0.1978 -0.0947 0.0086 146 PHE o CD2 ? ? 1 +45221 C CE1 . PHE AG 143 0.3656 1.0090 1.0027 0.2037 -0.1034 0.0024 146 PHE o CE1 ? ? 1 +45222 C CE2 . PHE AG 143 0.3638 0.9854 0.9853 0.1900 -0.0936 0.0077 146 PHE o CE2 ? ? 1 +45223 C CZ . PHE AG 143 0.3583 0.9987 0.9952 0.1929 -0.0978 0.0046 146 PHE o CZ ? ? 1 +45224 C C . PHE AG 143 0.4201 0.9780 0.9794 0.2101 -0.1021 0.0136 146 PHE o C ? ? 1 +45225 O O . PHE AG 143 0.4097 0.9707 0.9709 0.2051 -0.1040 0.0142 146 PHE o O ? ? 1 +45226 N N . ASN AG 144 0.4209 0.9639 0.9693 0.2072 -0.0967 0.0156 147 ASN o N ? ? 1 +45227 C CA . ASN AG 144 0.4137 0.9444 0.9531 0.1972 -0.0925 0.0187 147 ASN o CA ? ? 1 +45228 C CB . ASN AG 144 0.4291 0.9359 0.9483 0.1989 -0.0898 0.0211 147 ASN o CB ? ? 1 +45229 C CG . ASN AG 144 0.4460 0.9380 0.9492 0.2070 -0.0946 0.0222 147 ASN o CG ? ? 1 +45230 O OD1 . ASN AG 144 0.4448 0.9377 0.9465 0.2071 -0.0986 0.0226 147 ASN o OD1 ? ? 1 +45231 N ND2 . ASN AG 144 0.4622 0.9398 0.9527 0.2142 -0.0943 0.0225 147 ASN o ND2 ? ? 1 +45232 C C . ASN AG 144 0.3932 0.9353 0.9456 0.1874 -0.0870 0.0184 147 ASN o C ? ? 1 +45233 O O . ASN AG 144 0.3892 0.9410 0.9514 0.1887 -0.0847 0.0165 147 ASN o O ? ? 1 +45234 N N . VAL AG 145 0.3806 0.9208 0.9325 0.1777 -0.0850 0.0203 148 VAL o N ? ? 1 +45235 C CA . VAL AG 145 0.3604 0.9094 0.9227 0.1680 -0.0800 0.0204 148 VAL o CA ? ? 1 +45236 C CB . VAL AG 145 0.3425 0.9101 0.9210 0.1629 -0.0816 0.0192 148 VAL o CB ? ? 1 +45237 C CG1 . VAL AG 145 0.3258 0.9017 0.9144 0.1533 -0.0763 0.0193 148 VAL o CG1 ? ? 1 +45238 C CG2 . VAL AG 145 0.3391 0.9235 0.9305 0.1704 -0.0862 0.0160 148 VAL o CG2 ? ? 1 +45239 C C . VAL AG 145 0.3618 0.8934 0.9106 0.1608 -0.0758 0.0234 148 VAL o C ? ? 1 +45240 O O . VAL AG 145 0.3585 0.8864 0.9039 0.1551 -0.0761 0.0250 148 VAL o O ? ? 1 +45241 N N . PRO AG 146 0.3659 0.8861 0.9065 0.1608 -0.0719 0.0240 149 PRO o N ? ? 1 +45242 C CA . PRO AG 146 0.3662 0.8710 0.8953 0.1534 -0.0677 0.0265 149 PRO o CA ? ? 1 +45243 C CB . PRO AG 146 0.3784 0.8714 0.8984 0.1568 -0.0648 0.0264 149 PRO o CB ? ? 1 +45244 C CG . PRO AG 146 0.3753 0.8832 0.9076 0.1634 -0.0658 0.0236 149 PRO o CG ? ? 1 +45245 C CD . PRO AG 146 0.3711 0.8927 0.9129 0.1681 -0.0713 0.0222 149 PRO o CD ? ? 1 +45246 C C . PRO AG 146 0.3464 0.8616 0.8866 0.1429 -0.0642 0.0267 149 PRO o C ? ? 1 +45247 O O . PRO AG 146 0.3342 0.8673 0.8902 0.1418 -0.0643 0.0249 149 PRO o O ? ? 1 +45248 N N . SER AG 147 0.3425 0.8462 0.8742 0.1355 -0.0612 0.0289 150 SER o N ? ? 1 +45249 C CA . SER AG 147 0.3237 0.8340 0.8633 0.1256 -0.0575 0.0292 150 SER o CA ? ? 1 +45250 C CB . SER AG 147 0.3307 0.8241 0.8573 0.1194 -0.0543 0.0315 150 SER o CB ? ? 1 +45251 O OG . SER AG 147 0.3179 0.8169 0.8515 0.1102 -0.0507 0.0317 150 SER o OG ? ? 1 +45252 C C . SER AG 147 0.3127 0.8330 0.8623 0.1250 -0.0547 0.0276 150 SER o C ? ? 1 +45253 O O . SER AG 147 0.3209 0.8347 0.8652 0.1293 -0.0533 0.0269 150 SER o O ? ? 1 +45254 N N . TYR AG 148 0.2949 0.8307 0.8587 0.1194 -0.0537 0.0268 151 TYR o N ? ? 1 +45255 C CA . TYR AG 148 0.2842 0.8306 0.8582 0.1178 -0.0507 0.0254 151 TYR o CA ? ? 1 +45256 C CB . TYR AG 148 0.2678 0.8297 0.8559 0.1112 -0.0503 0.0251 151 TYR o CB ? ? 1 +45257 C CG . TYR AG 148 0.2573 0.8309 0.8566 0.1081 -0.0470 0.0239 151 TYR o CG ? ? 1 +45258 C CD1 . TYR AG 148 0.2536 0.8402 0.8635 0.1131 -0.0475 0.0217 151 TYR o CD1 ? ? 1 +45259 C CD2 . TYR AG 148 0.2503 0.8221 0.8497 0.1000 -0.0433 0.0249 151 TYR o CD2 ? ? 1 +45260 C CE1 . TYR AG 148 0.2446 0.8415 0.8643 0.1101 -0.0440 0.0207 151 TYR o CE1 ? ? 1 +45261 C CE2 . TYR AG 148 0.2418 0.8236 0.8505 0.0973 -0.0403 0.0239 151 TYR o CE2 ? ? 1 +45262 C CZ . TYR AG 148 0.2396 0.8336 0.8581 0.1022 -0.0405 0.0219 151 TYR o CZ ? ? 1 +45263 O OH . TYR AG 148 0.2333 0.8362 0.8602 0.0993 -0.0371 0.0210 151 TYR o OH ? ? 1 +45264 C C . TYR AG 148 0.2866 0.8215 0.8524 0.1142 -0.0463 0.0261 151 TYR o C ? ? 1 +45265 O O . TYR AG 148 0.2903 0.8256 0.8566 0.1176 -0.0446 0.0248 151 TYR o O ? ? 1 +45266 N N A ARG AG 149 0.2863 0.8110 0.8446 0.1073 -0.0446 0.0279 152 ARG o N ? ? 1 +45267 N N B ARG AG 149 0.2855 0.8104 0.8439 0.1072 -0.0446 0.0279 152 ARG o N ? ? 1 +45268 C CA A ARG AG 149 0.2925 0.8035 0.8405 0.1041 -0.0412 0.0286 152 ARG o CA ? ? 1 +45269 C CA B ARG AG 149 0.2915 0.8025 0.8395 0.1041 -0.0412 0.0286 152 ARG o CA ? ? 1 +45270 C C A ARG AG 149 0.3092 0.8015 0.8408 0.1080 -0.0422 0.0298 152 ARG o C ? ? 1 +45271 C C B ARG AG 149 0.3083 0.8009 0.8401 0.1082 -0.0423 0.0297 152 ARG o C ? ? 1 +45272 O O A ARG AG 149 0.3132 0.8021 0.8408 0.1092 -0.0448 0.0309 152 ARG o O ? ? 1 +45273 O O B ARG AG 149 0.3112 0.8007 0.8392 0.1098 -0.0450 0.0308 152 ARG o O ? ? 1 +45274 C CB A ARG AG 149 0.2833 0.7943 0.8330 0.0939 -0.0386 0.0297 152 ARG o CB ? ? 1 +45275 C CB B ARG AG 149 0.2828 0.7930 0.8319 0.0940 -0.0386 0.0298 152 ARG o CB ? ? 1 +45276 C CG A ARG AG 149 0.2658 0.7942 0.8307 0.0894 -0.0382 0.0291 152 ARG o CG ? ? 1 +45277 C CG B ARG AG 149 0.2650 0.7922 0.8290 0.0890 -0.0379 0.0292 152 ARG o CG ? ? 1 +45278 C CD A ARG AG 149 0.2602 0.7969 0.8325 0.0898 -0.0358 0.0276 152 ARG o CD ? ? 1 +45279 C CD B ARG AG 149 0.2593 0.7946 0.8304 0.0894 -0.0356 0.0277 152 ARG o CD ? ? 1 +45280 N NE A ARG AG 149 0.2448 0.7948 0.8291 0.0836 -0.0346 0.0274 152 ARG o NE ? ? 1 +45281 N NE B ARG AG 149 0.2435 0.7930 0.8274 0.0838 -0.0346 0.0274 152 ARG o NE ? ? 1 +45282 C CZ A ARG AG 149 0.2382 0.7961 0.8295 0.0821 -0.0322 0.0264 152 ARG o CZ ? ? 1 +45283 C CZ B ARG AG 149 0.2367 0.7939 0.8274 0.0820 -0.0321 0.0264 152 ARG o CZ ? ? 1 +45284 N NH1 A ARG AG 149 0.2435 0.8015 0.8343 0.0875 -0.0311 0.0250 152 ARG o NH1 ? ? 1 +45285 N NH1 B ARG AG 149 0.2423 0.7990 0.8320 0.0871 -0.0308 0.0251 152 ARG o NH1 ? ? 1 +45286 N NH2 A ARG AG 149 0.2267 0.7925 0.8255 0.0753 -0.0307 0.0267 152 ARG o NH2 ? ? 1 +45287 N NH2 B ARG AG 149 0.2251 0.7904 0.8235 0.0753 -0.0307 0.0268 152 ARG o NH2 ? ? 1 +45288 N N . THR AG 150 0.3199 0.7998 0.8416 0.1099 -0.0400 0.0296 153 THR o N ? ? 1 +45289 C CA . THR AG 150 0.3374 0.7979 0.8425 0.1130 -0.0404 0.0308 153 THR o CA ? ? 1 +45290 C CB . THR AG 150 0.3498 0.8032 0.8484 0.1211 -0.0403 0.0296 153 THR o CB ? ? 1 +45291 O OG1 . THR AG 150 0.3499 0.7997 0.8472 0.1172 -0.0366 0.0289 153 THR o OG1 ? ? 1 +45292 C CG2 . THR AG 150 0.3454 0.8133 0.8544 0.1293 -0.0431 0.0278 153 THR o CG2 ? ? 1 +45293 C C . THR AG 150 0.3401 0.7885 0.8370 0.1044 -0.0374 0.0323 153 THR o C ? ? 1 +45294 O O . THR AG 150 0.3277 0.7834 0.8321 0.0966 -0.0354 0.0323 153 THR o O ? ? 1 +45295 N N . ALA AG 151 0.3568 0.7864 0.8381 0.1058 -0.0369 0.0335 154 ALA o N ? ? 1 +45296 C CA . ALA AG 151 0.3607 0.7788 0.8339 0.0981 -0.0347 0.0351 154 ALA o CA ? ? 1 +45297 C CB . ALA AG 151 0.3807 0.7781 0.8363 0.1017 -0.0346 0.0363 154 ALA o CB ? ? 1 +45298 C C . ALA AG 151 0.3559 0.7734 0.8312 0.0896 -0.0309 0.0346 154 ALA o C ? ? 1 +45299 O O . ALA AG 151 0.3525 0.7687 0.8281 0.0819 -0.0293 0.0355 154 ALA o O ? ? 1 +45300 N N A ASN AG 152 0.3565 0.7753 0.8334 0.0913 -0.0295 0.0330 155 ASN o N ? ? 1 +45301 N N B ASN AG 152 0.3571 0.7752 0.8334 0.0913 -0.0294 0.0330 155 ASN o N ? ? 1 +45302 C CA A ASN AG 152 0.3531 0.7703 0.8308 0.0841 -0.0262 0.0323 155 ASN o CA ? ? 1 +45303 C CA B ASN AG 152 0.3536 0.7698 0.8306 0.0839 -0.0261 0.0324 155 ASN o CA ? ? 1 +45304 C C A ASN AG 152 0.3341 0.7688 0.8268 0.0783 -0.0257 0.0317 155 ASN o C ? ? 1 +45305 C C B ASN AG 152 0.3344 0.7681 0.8264 0.0781 -0.0257 0.0318 155 ASN o C ? ? 1 +45306 O O A ASN AG 152 0.3306 0.7649 0.8246 0.0719 -0.0234 0.0311 155 ASN o O ? ? 1 +45307 O O B ASN AG 152 0.3310 0.7640 0.8240 0.0712 -0.0233 0.0313 155 ASN o O ? ? 1 +45308 C CB A ASN AG 152 0.3621 0.7730 0.8347 0.0883 -0.0249 0.0307 155 ASN o CB ? ? 1 +45309 C CB B ASN AG 152 0.3627 0.7727 0.8346 0.0880 -0.0248 0.0308 155 ASN o CB ? ? 1 +45310 C CG A ASN AG 152 0.3821 0.7719 0.8377 0.0907 -0.0240 0.0312 155 ASN o CG ? ? 1 +45311 C CG B ASN AG 152 0.3826 0.7713 0.8376 0.0901 -0.0237 0.0312 155 ASN o CG ? ? 1 +45312 O OD1 A ASN AG 152 0.3908 0.7692 0.8373 0.0892 -0.0240 0.0328 155 ASN o OD1 ? ? 1 +45313 O OD1 B ASN AG 152 0.3914 0.7683 0.8371 0.0882 -0.0236 0.0328 155 ASN o OD1 ? ? 1 +45314 N ND2 A ASN AG 152 0.3907 0.7742 0.8412 0.0945 -0.0228 0.0298 155 ASN o ND2 ? ? 1 +45315 N ND2 B ASN AG 152 0.3908 0.7739 0.8411 0.0940 -0.0226 0.0298 155 ASN o ND2 ? ? 1 +45316 N N A PHE AG 153 0.3227 0.7725 0.8266 0.0808 -0.0280 0.0316 156 PHE o N ? ? 1 +45317 N N B PHE AG 153 0.3230 0.7722 0.8264 0.0810 -0.0280 0.0316 156 PHE o N ? ? 1 +45318 C CA A PHE AG 153 0.3051 0.7716 0.8233 0.0761 -0.0276 0.0310 156 PHE o CA ? ? 1 +45319 C CA B PHE AG 153 0.3052 0.7708 0.8227 0.0761 -0.0275 0.0310 156 PHE o CA ? ? 1 +45320 C C A PHE AG 153 0.2984 0.7647 0.8180 0.0670 -0.0263 0.0321 156 PHE o C ? ? 1 +45321 C C B PHE AG 153 0.2991 0.7637 0.8174 0.0669 -0.0261 0.0320 156 PHE o C ? ? 1 +45322 O O A PHE AG 153 0.3006 0.7628 0.8168 0.0654 -0.0272 0.0334 156 PHE o O ? ? 1 +45323 O O B PHE AG 153 0.3030 0.7613 0.8162 0.0651 -0.0267 0.0334 156 PHE o O ? ? 1 +45324 C CB A PHE AG 153 0.2955 0.7771 0.8247 0.0805 -0.0304 0.0308 156 PHE o CB ? ? 1 +45325 C CB B PHE AG 153 0.2950 0.7757 0.8235 0.0801 -0.0303 0.0309 156 PHE o CB ? ? 1 +45326 C CG A PHE AG 153 0.2790 0.7775 0.8226 0.0765 -0.0298 0.0301 156 PHE o CG ? ? 1 +45327 C CG B PHE AG 153 0.2783 0.7761 0.8214 0.0761 -0.0297 0.0302 156 PHE o CG ? ? 1 +45328 C CD1 A PHE AG 153 0.2752 0.7814 0.8249 0.0786 -0.0285 0.0286 156 PHE o CD1 ? ? 1 +45329 C CD1 B PHE AG 153 0.2745 0.7800 0.8237 0.0782 -0.0285 0.0287 156 PHE o CD1 ? ? 1 +45330 C CD2 A PHE AG 153 0.2679 0.7740 0.8184 0.0706 -0.0302 0.0310 156 PHE o CD2 ? ? 1 +45331 C CD2 B PHE AG 153 0.2673 0.7727 0.8173 0.0703 -0.0302 0.0311 156 PHE o CD2 ? ? 1 +45332 C CE1 A PHE AG 153 0.2608 0.7817 0.8230 0.0749 -0.0277 0.0280 156 PHE o CE1 ? ? 1 +45333 C CE1 B PHE AG 153 0.2599 0.7804 0.8218 0.0745 -0.0277 0.0281 156 PHE o CE1 ? ? 1 +45334 C CE2 A PHE AG 153 0.2536 0.7743 0.8166 0.0671 -0.0295 0.0304 156 PHE o CE2 ? ? 1 +45335 C CE2 B PHE AG 153 0.2528 0.7730 0.8154 0.0668 -0.0296 0.0305 156 PHE o CE2 ? ? 1 +45336 C CZ A PHE AG 153 0.2502 0.7781 0.8189 0.0692 -0.0283 0.0290 156 PHE o CZ ? ? 1 +45337 C CZ B PHE AG 153 0.2493 0.7767 0.8176 0.0688 -0.0283 0.0291 156 PHE o CZ ? ? 1 +45338 N N A LEU AG 154 0.2907 0.7617 0.8154 0.0612 -0.0243 0.0313 157 LEU o N ? ? 1 +45339 N N B LEU AG 154 0.2904 0.7611 0.8148 0.0612 -0.0242 0.0312 157 LEU o N ? ? 1 +45340 C CA A LEU AG 154 0.2835 0.7558 0.8108 0.0527 -0.0230 0.0319 157 LEU o CA ? ? 1 +45341 C CA B LEU AG 154 0.2835 0.7549 0.8101 0.0526 -0.0229 0.0318 157 LEU o CA ? ? 1 +45342 C C A LEU AG 154 0.2661 0.7558 0.8076 0.0499 -0.0237 0.0318 157 LEU o C ? ? 1 +45343 C C B LEU AG 154 0.2660 0.7547 0.8068 0.0498 -0.0236 0.0318 157 LEU o C ? ? 1 +45344 O O A LEU AG 154 0.2598 0.7590 0.8086 0.0513 -0.0234 0.0308 157 LEU o O ? ? 1 +45345 O O B LEU AG 154 0.2596 0.7581 0.8079 0.0512 -0.0233 0.0307 157 LEU o O ? ? 1 +45346 C CB A LEU AG 154 0.2881 0.7528 0.8106 0.0480 -0.0205 0.0310 157 LEU o CB ? ? 1 +45347 C CB B LEU AG 154 0.2883 0.7521 0.8100 0.0481 -0.0204 0.0309 157 LEU o CB ? ? 1 +45348 C CG A LEU AG 154 0.3054 0.7517 0.8134 0.0493 -0.0194 0.0309 157 LEU o CG ? ? 1 +45349 C CG B LEU AG 154 0.3060 0.7511 0.8130 0.0493 -0.0192 0.0308 157 LEU o CG ? ? 1 +45350 C CD1 A LEU AG 154 0.3086 0.7488 0.8131 0.0440 -0.0171 0.0297 157 LEU o CD1 ? ? 1 +45351 C CD1 B LEU AG 154 0.3088 0.7478 0.8125 0.0438 -0.0169 0.0296 157 LEU o CD1 ? ? 1 +45352 C CD2 A LEU AG 154 0.3124 0.7491 0.8132 0.0474 -0.0195 0.0325 157 LEU o CD2 ? ? 1 +45353 C CD2 B LEU AG 154 0.3132 0.7484 0.8128 0.0476 -0.0193 0.0324 157 LEU o CD2 ? ? 1 +45354 N N A ASP AG 155 0.2592 0.7523 0.8040 0.0458 -0.0244 0.0330 158 ASP o N ? ? 1 +45355 N N B ASP AG 155 0.2591 0.7511 0.8031 0.0457 -0.0243 0.0329 158 ASP o N ? ? 1 +45356 C CA A ASP AG 155 0.2433 0.7516 0.8008 0.0426 -0.0250 0.0330 158 ASP o CA ? ? 1 +45357 C CA B ASP AG 155 0.2430 0.7503 0.7996 0.0427 -0.0249 0.0330 158 ASP o CA ? ? 1 +45358 C C A ASP AG 155 0.2363 0.7472 0.7972 0.0362 -0.0229 0.0323 158 ASP o C ? ? 1 +45359 C C B ASP AG 155 0.2356 0.7462 0.7962 0.0363 -0.0229 0.0323 158 ASP o C ? ? 1 +45360 O O A ASP AG 155 0.2435 0.7446 0.7971 0.0341 -0.0213 0.0318 158 ASP o O ? ? 1 +45361 O O B ASP AG 155 0.2425 0.7435 0.7960 0.0343 -0.0213 0.0318 158 ASP o O ? ? 1 +45362 C CB A ASP AG 155 0.2393 0.7501 0.7987 0.0408 -0.0264 0.0343 158 ASP o CB ? ? 1 +45363 C CB B ASP AG 155 0.2394 0.7485 0.7975 0.0409 -0.0263 0.0343 158 ASP o CB ? ? 1 +45364 C CG A ASP AG 155 0.2405 0.7448 0.7961 0.0340 -0.0250 0.0351 158 ASP o CG ? ? 1 +45365 C CG B ASP AG 155 0.2380 0.7428 0.7941 0.0336 -0.0249 0.0351 158 ASP o CG ? ? 1 +45366 O OD1 A ASP AG 155 0.2430 0.7419 0.7955 0.0296 -0.0229 0.0347 158 ASP o OD1 ? ? 1 +45367 O OD1 B ASP AG 155 0.2384 0.7401 0.7933 0.0289 -0.0229 0.0345 158 ASP o OD1 ? ? 1 +45368 O OD2 A ASP AG 155 0.2386 0.7435 0.7944 0.0330 -0.0259 0.0362 158 ASP o OD2 ? ? 1 +45369 O OD2 B ASP AG 155 0.2362 0.7411 0.7922 0.0326 -0.0258 0.0362 158 ASP o OD2 ? ? 1 +45370 N N A PRO AG 156 0.2227 0.7468 0.7945 0.0331 -0.0231 0.0322 159 PRO o N ? ? 1 +45371 N N B PRO AG 156 0.2220 0.7458 0.7936 0.0333 -0.0231 0.0322 159 PRO o N ? ? 1 +45372 C CA A PRO AG 156 0.2168 0.7442 0.7922 0.0279 -0.0215 0.0316 159 PRO o CA ? ? 1 +45373 C CA B PRO AG 156 0.2161 0.7436 0.7916 0.0280 -0.0215 0.0316 159 PRO o CA ? ? 1 +45374 C C A PRO AG 156 0.2187 0.7390 0.7899 0.0212 -0.0204 0.0318 159 PRO o C ? ? 1 +45375 C C B PRO AG 156 0.2189 0.7387 0.7897 0.0214 -0.0204 0.0318 159 PRO o C ? ? 1 +45376 O O A PRO AG 156 0.2160 0.7369 0.7882 0.0173 -0.0193 0.0309 159 PRO o O ? ? 1 +45377 O O B PRO AG 156 0.2169 0.7365 0.7880 0.0178 -0.0192 0.0309 159 PRO o O ? ? 1 +45378 C CB A PRO AG 156 0.2030 0.7455 0.7905 0.0267 -0.0222 0.0318 159 PRO o CB ? ? 1 +45379 C CB B PRO AG 156 0.2024 0.7446 0.7897 0.0265 -0.0223 0.0319 159 PRO o CB ? ? 1 +45380 C CG A PRO AG 156 0.2027 0.7502 0.7932 0.0327 -0.0240 0.0319 159 PRO o CG ? ? 1 +45381 C CG B PRO AG 156 0.2019 0.7491 0.7923 0.0325 -0.0241 0.0320 159 PRO o CG ? ? 1 +45382 C CD A PRO AG 156 0.2133 0.7496 0.7945 0.0351 -0.0249 0.0326 159 PRO o CD ? ? 1 +45383 C CD B PRO AG 156 0.2130 0.7488 0.7937 0.0353 -0.0249 0.0326 159 PRO o CD ? ? 1 +45384 N N . LYS AG 157 0.2233 0.7371 0.7898 0.0199 -0.0206 0.0328 160 LYS o N ? ? 1 +45385 C CA . LYS AG 157 0.2270 0.7332 0.7890 0.0138 -0.0192 0.0329 160 LYS o CA ? ? 1 +45386 C CB . LYS AG 157 0.2203 0.7300 0.7859 0.0105 -0.0196 0.0341 160 LYS o CB ? ? 1 +45387 C CG . LYS AG 157 0.2055 0.7291 0.7826 0.0075 -0.0202 0.0340 160 LYS o CG ? ? 1 +45388 C CD . LYS AG 157 0.2016 0.7283 0.7821 0.0031 -0.0192 0.0329 160 LYS o CD ? ? 1 +45389 C CE . LYS AG 157 0.2075 0.7260 0.7831 -0.0026 -0.0177 0.0325 160 LYS o CE ? ? 1 +45390 N NZ . LYS AG 157 0.2020 0.7257 0.7827 -0.0073 -0.0174 0.0313 160 LYS o NZ ? ? 1 +45391 C C . LYS AG 157 0.2436 0.7339 0.7932 0.0149 -0.0181 0.0328 160 LYS o C ? ? 1 +45392 O O . LYS AG 157 0.2488 0.7313 0.7935 0.0103 -0.0168 0.0330 160 LYS o O ? ? 1 +45393 N N A GLY AG 158 0.2521 0.7378 0.7966 0.0212 -0.0186 0.0324 161 GLY o N ? ? 1 +45394 N N B GLY AG 158 0.2521 0.7377 0.7966 0.0211 -0.0185 0.0324 161 GLY o N ? ? 1 +45395 C CA A GLY AG 158 0.2684 0.7384 0.8005 0.0226 -0.0175 0.0322 161 GLY o CA ? ? 1 +45396 C CA B GLY AG 158 0.2684 0.7384 0.8005 0.0225 -0.0174 0.0322 161 GLY o CA ? ? 1 +45397 C C A GLY AG 158 0.2795 0.7393 0.8030 0.0252 -0.0178 0.0336 161 GLY o C ? ? 1 +45398 C C B GLY AG 158 0.2794 0.7392 0.8029 0.0250 -0.0177 0.0336 161 GLY o C ? ? 1 +45399 O O A GLY AG 158 0.2936 0.7390 0.8060 0.0254 -0.0165 0.0336 161 GLY o O ? ? 1 +45400 O O B GLY AG 158 0.2933 0.7387 0.8058 0.0248 -0.0164 0.0336 161 GLY o O ? ? 1 +45401 N N . ARG AG 159 0.2743 0.7411 0.8024 0.0273 -0.0195 0.0347 162 ARG o N ? ? 1 +45402 C CA . ARG AG 159 0.2853 0.7430 0.8052 0.0302 -0.0201 0.0361 162 ARG o CA ? ? 1 +45403 C CB . ARG AG 159 0.2780 0.7438 0.8042 0.0279 -0.0211 0.0372 162 ARG o CB ? ? 1 +45404 C CG . ARG AG 159 0.2715 0.7406 0.8024 0.0196 -0.0193 0.0372 162 ARG o CG ? ? 1 +45405 C CD . ARG AG 159 0.2627 0.7414 0.8009 0.0181 -0.0204 0.0381 162 ARG o CD ? ? 1 +45406 N NE . ARG AG 159 0.2510 0.7450 0.8009 0.0200 -0.0223 0.0375 162 ARG o NE ? ? 1 +45407 C CZ . ARG AG 159 0.2422 0.7470 0.8007 0.0184 -0.0234 0.0379 162 ARG o CZ ? ? 1 +45408 N NH1 . ARG AG 159 0.2426 0.7455 0.8002 0.0143 -0.0226 0.0388 162 ARG o NH1 ? ? 1 +45409 N NH2 . ARG AG 159 0.2333 0.7507 0.8014 0.0208 -0.0251 0.0373 162 ARG o NH2 ? ? 1 +45410 C C . ARG AG 159 0.2925 0.7485 0.8088 0.0392 -0.0222 0.0361 162 ARG o C ? ? 1 +45411 O O . ARG AG 159 0.2833 0.7506 0.8078 0.0430 -0.0237 0.0354 162 ARG o O ? ? 1 +45412 N N . GLY AG 160 0.3089 0.7505 0.8128 0.0426 -0.0222 0.0370 163 GLY o N ? ? 1 +45413 C CA . GLY AG 160 0.3181 0.7565 0.8174 0.0515 -0.0242 0.0369 163 GLY o CA ? ? 1 +45414 C C . GLY AG 160 0.3342 0.7583 0.8207 0.0545 -0.0247 0.0384 163 GLY o C ? ? 1 +45415 O O . GLY AG 160 0.3383 0.7562 0.8206 0.0494 -0.0233 0.0396 163 GLY o O ? ? 1 +45416 N N . LEU AG 161 0.3457 0.7643 0.8258 0.0629 -0.0266 0.0384 164 LEU o N ? ? 1 +45417 C CA . LEU AG 161 0.3625 0.7671 0.8296 0.0672 -0.0275 0.0399 164 LEU o CA ? ? 1 +45418 C CB . LEU AG 161 0.3644 0.7750 0.8336 0.0768 -0.0316 0.0396 164 LEU o CB ? ? 1 +45419 C CG . LEU AG 161 0.3802 0.7779 0.8365 0.0828 -0.0335 0.0410 164 LEU o CG ? ? 1 +45420 C CD1 . LEU AG 161 0.3820 0.7745 0.8338 0.0777 -0.0326 0.0428 164 LEU o CD1 ? ? 1 +45421 C CD2 . LEU AG 161 0.3774 0.7855 0.8395 0.0917 -0.0381 0.0403 164 LEU o CD2 ? ? 1 +45422 C C . LEU AG 161 0.3814 0.7667 0.8338 0.0674 -0.0251 0.0400 164 LEU o C ? ? 1 +45423 O O . LEU AG 161 0.3905 0.7632 0.8337 0.0627 -0.0227 0.0412 164 LEU o O ? ? 1 +45424 N N . ALA AG 162 0.3881 0.7711 0.8384 0.0728 -0.0254 0.0388 165 ALA o N ? ? 1 +45425 C CA . ALA AG 162 0.4060 0.7705 0.8421 0.0738 -0.0233 0.0387 165 ALA o CA ? ? 1 +45426 C CB . ALA AG 162 0.4134 0.7756 0.8459 0.0837 -0.0253 0.0379 165 ALA o CB ? ? 1 +45427 C C . ALA AG 162 0.4049 0.7680 0.8428 0.0661 -0.0200 0.0375 165 ALA o C ? ? 1 +45428 O O . ALA AG 162 0.4195 0.7673 0.8463 0.0651 -0.0178 0.0373 165 ALA o O ? ? 1 +45429 N N . SER AG 163 0.3893 0.7683 0.8410 0.0608 -0.0198 0.0367 166 SER o N ? ? 1 +45430 C CA . SER AG 163 0.3864 0.7659 0.8410 0.0531 -0.0172 0.0355 166 SER o CA ? ? 1 +45431 C CB . SER AG 163 0.3866 0.7695 0.8439 0.0562 -0.0171 0.0336 166 SER o CB ? ? 1 +45432 O OG . SER AG 163 0.3847 0.7669 0.8436 0.0490 -0.0148 0.0323 166 SER o OG ? ? 1 +45433 C C . SER AG 163 0.3694 0.7639 0.8370 0.0465 -0.0172 0.0357 166 SER o C ? ? 1 +45434 O O . SER AG 163 0.3617 0.7663 0.8362 0.0483 -0.0192 0.0365 166 SER o O ? ? 1 +45435 N N . GLY AG 164 0.3662 0.7616 0.8369 0.0387 -0.0150 0.0347 167 GLY o N ? ? 1 +45436 C CA . GLY AG 164 0.3505 0.7603 0.8336 0.0327 -0.0151 0.0346 167 GLY o CA ? ? 1 +45437 C C . GLY AG 164 0.3535 0.7589 0.8347 0.0257 -0.0133 0.0357 167 GLY o C ? ? 1 +45438 O O . GLY AG 164 0.3656 0.7565 0.8354 0.0254 -0.0120 0.0367 167 GLY o O ? ? 1 +45439 N N . TYR AG 165 0.3428 0.7607 0.8351 0.0200 -0.0132 0.0354 168 TYR o N ? ? 1 +45440 C CA . TYR AG 165 0.3435 0.7610 0.8369 0.0135 -0.0118 0.0362 168 TYR o CA ? ? 1 +45441 C CB . TYR AG 165 0.3268 0.7594 0.8335 0.0080 -0.0119 0.0353 168 TYR o CB ? ? 1 +45442 C CG . TYR AG 165 0.3238 0.7584 0.8335 0.0047 -0.0112 0.0334 168 TYR o CG ? ? 1 +45443 C CD1 . TYR AG 165 0.3350 0.7578 0.8372 0.0002 -0.0089 0.0324 168 TYR o CD1 ? ? 1 +45444 C CD2 . TYR AG 165 0.3109 0.7591 0.8308 0.0056 -0.0127 0.0325 168 TYR o CD2 ? ? 1 +45445 C CE1 . TYR AG 165 0.3332 0.7579 0.8380 -0.0029 -0.0086 0.0304 168 TYR o CE1 ? ? 1 +45446 C CE2 . TYR AG 165 0.3096 0.7593 0.8315 0.0027 -0.0121 0.0307 168 TYR o CE2 ? ? 1 +45447 C CZ . TYR AG 165 0.3208 0.7590 0.8353 -0.0015 -0.0103 0.0296 168 TYR o CZ ? ? 1 +45448 O OH . TYR AG 165 0.3211 0.7607 0.8374 -0.0044 -0.0101 0.0277 168 TYR o OH ? ? 1 +45449 C C . TYR AG 165 0.3480 0.7656 0.8396 0.0169 -0.0130 0.0381 168 TYR o C ? ? 1 +45450 O O . TYR AG 165 0.3458 0.7701 0.8406 0.0232 -0.0157 0.0384 168 TYR o O ? ? 1 +45451 N N . ASP AG 166 0.3574 0.7677 0.8441 0.0124 -0.0111 0.0392 169 ASP o N ? ? 1 +45452 C CA . ASP AG 166 0.3624 0.7719 0.8464 0.0151 -0.0121 0.0409 169 ASP o CA ? ? 1 +45453 C CB . ASP AG 166 0.3844 0.7750 0.8531 0.0153 -0.0099 0.0422 169 ASP o CB ? ? 1 +45454 C CG . ASP AG 166 0.3956 0.7784 0.8608 0.0067 -0.0059 0.0423 169 ASP o CG ? ? 1 +45455 O OD1 . ASP AG 166 0.3884 0.7800 0.8630 0.0002 -0.0047 0.0410 169 ASP o OD1 ? ? 1 +45456 O OD2 . ASP AG 166 0.4145 0.7826 0.8675 0.0066 -0.0039 0.0436 169 ASP o OD2 ? ? 1 +45457 C C . ASP AG 166 0.3492 0.7706 0.8434 0.0100 -0.0119 0.0412 169 ASP o C ? ? 1 +45458 O O . ASP AG 166 0.3544 0.7739 0.8459 0.0104 -0.0120 0.0426 169 ASP o O ? ? 1 +45459 N N . SER AG 167 0.3348 0.7682 0.8404 0.0056 -0.0118 0.0399 170 SER o N ? ? 1 +45460 C CA . SER AG 167 0.3216 0.7660 0.8369 0.0007 -0.0115 0.0400 170 SER o CA ? ? 1 +45461 C CB . SER AG 167 0.3282 0.7652 0.8398 -0.0066 -0.0080 0.0401 170 SER o CB ? ? 1 +45462 O OG . SER AG 167 0.3332 0.7668 0.8445 -0.0110 -0.0063 0.0386 170 SER o OG ? ? 1 +45463 C C . SER AG 167 0.3035 0.7627 0.8316 -0.0012 -0.0127 0.0386 170 SER o C ? ? 1 +45464 O O . SER AG 167 0.3048 0.7649 0.8335 0.0009 -0.0133 0.0375 170 SER o O ? ? 1 +45465 N N . ALA AG 168 0.2878 0.7582 0.8254 -0.0047 -0.0129 0.0387 171 ALA o N ? ? 1 +45466 C CA . ALA AG 168 0.2719 0.7561 0.8213 -0.0066 -0.0139 0.0376 171 ALA o CA ? ? 1 +45467 C CB . ALA AG 168 0.2600 0.7558 0.8181 -0.0069 -0.0153 0.0383 171 ALA o CB ? ? 1 +45468 C C . ALA AG 168 0.2711 0.7545 0.8224 -0.0135 -0.0118 0.0363 171 ALA o C ? ? 1 +45469 O O . ALA AG 168 0.2668 0.7547 0.8231 -0.0185 -0.0108 0.0363 171 ALA o O ? ? 1 +45470 N N . ILE AG 169 0.2767 0.7546 0.8242 -0.0135 -0.0114 0.0351 172 ILE o N ? ? 1 +45471 C CA . ILE AG 169 0.2808 0.7554 0.8281 -0.0199 -0.0094 0.0337 172 ILE o CA ? ? 1 +45472 C CB . ILE AG 169 0.2899 0.7549 0.8298 -0.0188 -0.0090 0.0324 172 ILE o CB ? ? 1 +45473 C CG1 . ILE AG 169 0.2823 0.7552 0.8270 -0.0151 -0.0110 0.0316 172 ILE o CG1 ? ? 1 +45474 C CG2 . ILE AG 169 0.3048 0.7552 0.8322 -0.0149 -0.0081 0.0335 172 ILE o CG2 ? ? 1 +45475 C CD1 . ILE AG 169 0.2903 0.7552 0.8291 -0.0153 -0.0104 0.0300 172 ILE o CD1 ? ? 1 +45476 C C . ILE AG 169 0.2691 0.7567 0.8278 -0.0242 -0.0101 0.0326 172 ILE o C ? ? 1 +45477 O O . ILE AG 169 0.2736 0.7603 0.8338 -0.0302 -0.0086 0.0315 172 ILE o O ? ? 1 +45478 N N . ALA AG 170 0.2574 0.7568 0.8242 -0.0212 -0.0122 0.0329 173 ALA o N ? ? 1 +45479 C CA . ALA AG 170 0.2445 0.7560 0.8216 -0.0245 -0.0130 0.0321 173 ALA o CA ? ? 1 +45480 C CB . ALA AG 170 0.2336 0.7549 0.8167 -0.0202 -0.0151 0.0322 173 ALA o CB ? ? 1 +45481 C C . ALA AG 170 0.2406 0.7577 0.8232 -0.0280 -0.0124 0.0328 173 ALA o C ? ? 1 +45482 O O . ALA AG 170 0.2332 0.7589 0.8236 -0.0315 -0.0128 0.0320 173 ALA o O ? ? 1 +45483 N N . LEU AG 171 0.2491 0.7609 0.8270 -0.0268 -0.0116 0.0342 174 LEU o N ? ? 1 +45484 C CA . LEU AG 171 0.2477 0.7629 0.8292 -0.0299 -0.0107 0.0348 174 LEU o CA ? ? 1 +45485 C CB . LEU AG 171 0.2458 0.7655 0.8288 -0.0254 -0.0123 0.0364 174 LEU o CB ? ? 1 +45486 C CG . LEU AG 171 0.2383 0.7688 0.8287 -0.0218 -0.0149 0.0362 174 LEU o CG ? ? 1 +45487 C CD1 . LEU AG 171 0.2385 0.7714 0.8288 -0.0166 -0.0167 0.0374 174 LEU o CD1 ? ? 1 +45488 C CD2 . LEU AG 171 0.2279 0.7694 0.8283 -0.0253 -0.0153 0.0356 174 LEU o CD2 ? ? 1 +45489 C C . LEU AG 171 0.2600 0.7634 0.8333 -0.0333 -0.0078 0.0350 174 LEU o C ? ? 1 +45490 O O . LEU AG 171 0.2672 0.7645 0.8346 -0.0315 -0.0070 0.0364 174 LEU o O ? ? 1 +45491 N N . PRO AG 172 0.2633 0.7631 0.8361 -0.0385 -0.0060 0.0335 175 PRO o N ? ? 1 +45492 C CA . PRO AG 172 0.2781 0.7654 0.8425 -0.0420 -0.0028 0.0335 175 PRO o CA ? ? 1 +45493 C CB . PRO AG 172 0.2765 0.7660 0.8455 -0.0483 -0.0018 0.0312 175 PRO o CB ? ? 1 +45494 C CG . PRO AG 172 0.2676 0.7658 0.8426 -0.0463 -0.0047 0.0302 175 PRO o CG ? ? 1 +45495 C CD . PRO AG 172 0.2558 0.7632 0.8359 -0.0414 -0.0070 0.0316 175 PRO o CD ? ? 1 +45496 C C . PRO AG 172 0.2828 0.7673 0.8449 -0.0435 -0.0007 0.0348 175 PRO o C ? ? 1 +45497 O O . PRO AG 172 0.2902 0.7623 0.8422 -0.0432 0.0014 0.0358 175 PRO o O ? ? 1 +45498 N N . GLN AG 173 0.2821 0.7774 0.8531 -0.0452 -0.0011 0.0349 176 GLN o N ? ? 1 +45499 C CA . GLN AG 173 0.2932 0.7868 0.8630 -0.0474 0.0012 0.0359 176 GLN o CA ? ? 1 +45500 C CB . GLN AG 173 0.2864 0.7858 0.8639 -0.0543 0.0034 0.0343 176 GLN o CB ? ? 1 +45501 C CG . GLN AG 173 0.2929 0.7837 0.8662 -0.0595 0.0062 0.0329 176 GLN o CG ? ? 1 +45502 C CD . GLN AG 173 0.3061 0.7842 0.8697 -0.0613 0.0101 0.0340 176 GLN o CD ? ? 1 +45503 O OE1 . GLN AG 173 0.3128 0.7811 0.8663 -0.0571 0.0102 0.0357 176 GLN o OE1 ? ? 1 +45504 N NE2 . GLN AG 173 0.3103 0.7882 0.8765 -0.0677 0.0136 0.0329 176 GLN o NE2 ? ? 1 +45505 C C . GLN AG 173 0.3001 0.8006 0.8730 -0.0431 -0.0008 0.0374 176 GLN o C ? ? 1 +45506 O O . GLN AG 173 0.3023 0.8059 0.8778 -0.0451 0.0005 0.0378 176 GLN o O ? ? 1 +45507 N N . ALA AG 174 0.3109 0.8138 0.8835 -0.0373 -0.0040 0.0380 177 ALA o N ? ? 1 +45508 C CA . ALA AG 174 0.3241 0.8315 0.8980 -0.0328 -0.0060 0.0393 177 ALA o CA ? ? 1 +45509 C CB . ALA AG 174 0.3231 0.8365 0.9002 -0.0275 -0.0095 0.0392 177 ALA o CB ? ? 1 +45510 C C . ALA AG 174 0.3563 0.8518 0.9189 -0.0305 -0.0048 0.0408 177 ALA o C ? ? 1 +45511 O O . ALA AG 174 0.3781 0.8617 0.9313 -0.0304 -0.0032 0.0410 177 ALA o O ? ? 1 +45512 N N . LYS AG 175 0.3844 0.8827 0.9474 -0.0285 -0.0056 0.0419 178 LYS o N ? ? 1 +45513 C CA . LYS AG 175 0.4290 0.9165 0.9808 -0.0251 -0.0052 0.0434 178 LYS o CA ? ? 1 +45514 C CB . LYS AG 175 0.4456 0.9374 0.9993 -0.0247 -0.0056 0.0442 178 LYS o CB ? ? 1 +45515 C CG . LYS AG 175 0.4710 0.9617 1.0256 -0.0308 -0.0016 0.0441 178 LYS o CG ? ? 1 +45516 C CD . LYS AG 175 0.4859 0.9753 1.0374 -0.0303 -0.0009 0.0451 178 LYS o CD ? ? 1 +45517 C CE . LYS AG 175 0.4963 0.9807 1.0456 -0.0364 0.0041 0.0450 178 LYS o CE ? ? 1 +45518 N NZ . LYS AG 175 0.4803 0.9744 1.0410 -0.0419 0.0055 0.0434 178 LYS o NZ ? ? 1 +45519 C C . LYS AG 175 0.4477 0.9314 0.9942 -0.0184 -0.0082 0.0439 178 LYS o C ? ? 1 +45520 O O . LYS AG 175 0.4262 0.9192 0.9791 -0.0146 -0.0116 0.0436 178 LYS o O ? ? 1 +45521 N N . GLU AG 176 0.4906 0.9603 1.0254 -0.0170 -0.0068 0.0445 179 GLU o N ? ? 1 +45522 C CA . GLU AG 176 0.5261 0.9906 1.0548 -0.0106 -0.0093 0.0448 179 GLU o CA ? ? 1 +45523 C CB . GLU AG 176 0.5670 1.0144 1.0822 -0.0109 -0.0066 0.0454 179 GLU o CB ? ? 1 +45524 C CG . GLU AG 176 0.5986 1.0432 1.1150 -0.0166 -0.0038 0.0441 179 GLU o CG ? ? 1 +45525 C CD . GLU AG 176 0.6695 1.0967 1.1726 -0.0182 -0.0005 0.0447 179 GLU o CD ? ? 1 +45526 O OE1 . GLU AG 176 0.6897 1.1060 1.1815 -0.0136 -0.0008 0.0462 179 GLU o OE1 ? ? 1 +45527 O OE2 . GLU AG 176 0.7363 1.1603 1.2398 -0.0240 0.0023 0.0435 179 GLU o OE2 ? ? 1 +45528 C C . GLU AG 176 0.5319 0.9982 1.0586 -0.0042 -0.0126 0.0457 179 GLU o C ? ? 1 +45529 O O . GLU AG 176 0.5103 0.9807 1.0391 0.0012 -0.0158 0.0454 179 GLU o O ? ? 1 +45530 N N . GLU AG 177 0.5559 1.0193 1.0789 -0.0048 -0.0118 0.0468 180 GLU o N ? ? 1 +45531 C CA . GLU AG 177 0.5855 1.0486 1.1047 0.0011 -0.0149 0.0477 180 GLU o CA ? ? 1 +45532 C CB . GLU AG 177 0.6028 1.0628 1.1182 -0.0012 -0.0133 0.0486 180 GLU o CB ? ? 1 +45533 C CG . GLU AG 177 0.6441 1.0909 1.1498 -0.0059 -0.0083 0.0495 180 GLU o CG ? ? 1 +45534 C CD . GLU AG 177 0.6499 1.1022 1.1637 -0.0138 -0.0046 0.0486 180 GLU o CD ? ? 1 +45535 O OE1 . GLU AG 177 0.6359 1.1002 1.1600 -0.0158 -0.0053 0.0480 180 GLU o OE1 ? ? 1 +45536 O OE2 . GLU AG 177 0.6405 1.0849 1.1503 -0.0180 -0.0010 0.0484 180 GLU o OE2 ? ? 1 +45537 C C . GLU AG 177 0.5671 1.0451 1.0976 0.0045 -0.0191 0.0468 180 GLU o C ? ? 1 +45538 O O . GLU AG 177 0.5316 1.0098 1.0598 0.0108 -0.0226 0.0469 180 GLU o O ? ? 1 +45539 N N . GLU AG 178 0.5697 1.0601 1.1126 0.0004 -0.0188 0.0457 181 GLU o N ? ? 1 +45540 C CA . GLU AG 178 0.5835 1.0880 1.1376 0.0026 -0.0221 0.0449 181 GLU o CA ? ? 1 +45541 C CB . GLU AG 178 0.6489 1.1644 1.2145 -0.0031 -0.0208 0.0441 181 GLU o CB ? ? 1 +45542 C CG . GLU AG 178 0.7254 1.2410 1.2915 -0.0075 -0.0187 0.0445 181 GLU o CG ? ? 1 +45543 C CD . GLU AG 178 0.8074 1.3328 1.3841 -0.0130 -0.0173 0.0436 181 GLU o CD ? ? 1 +45544 O OE1 . GLU AG 178 0.8788 1.4112 1.4626 -0.0134 -0.0181 0.0427 181 GLU o OE1 ? ? 1 +45545 O OE2 . GLU AG 178 0.8408 1.3668 1.4185 -0.0166 -0.0153 0.0438 181 GLU o OE2 ? ? 1 +45546 C C . GLU AG 178 0.5360 1.0433 1.0923 0.0069 -0.0243 0.0441 181 GLU o C ? ? 1 +45547 O O . GLU AG 178 0.5147 1.0320 1.0783 0.0102 -0.0273 0.0435 181 GLU o O ? ? 1 +45548 N N . LEU AG 179 0.4974 0.9960 1.0477 0.0064 -0.0224 0.0441 182 LEU o N ? ? 1 +45549 C CA . LEU AG 179 0.4541 0.9546 1.0062 0.0097 -0.0237 0.0432 182 LEU o CA ? ? 1 +45550 C CB . LEU AG 179 0.4427 0.9427 0.9972 0.0044 -0.0209 0.0424 182 LEU o CB ? ? 1 +45551 C CG . LEU AG 179 0.4270 0.9386 0.9928 -0.0010 -0.0201 0.0418 182 LEU o CG ? ? 1 +45552 C CD1 . LEU AG 179 0.4209 0.9300 0.9872 -0.0064 -0.0175 0.0410 182 LEU o CD1 ? ? 1 +45553 C CD2 . LEU AG 179 0.4139 0.9387 0.9900 0.0015 -0.0228 0.0411 182 LEU o CD2 ? ? 1 +45554 C C . LEU AG 179 0.4455 0.9344 0.9863 0.0156 -0.0246 0.0437 182 LEU o C ? ? 1 +45555 O O . LEU AG 179 0.4366 0.9248 0.9770 0.0186 -0.0252 0.0430 182 LEU o O ? ? 1 +45556 N N . ALA AG 180 0.4414 0.9208 0.9725 0.0176 -0.0248 0.0449 183 ALA o N ? ? 1 +45557 C CA . ALA AG 180 0.4564 0.9229 0.9751 0.0232 -0.0255 0.0456 183 ALA o CA ? ? 1 +45558 C CB . ALA AG 180 0.4654 0.9223 0.9739 0.0244 -0.0255 0.0471 183 ALA o CB ? ? 1 +45559 C C . ALA AG 180 0.4607 0.9329 0.9823 0.0306 -0.0294 0.0448 183 ALA o C ? ? 1 +45560 O O . ALA AG 180 0.4635 0.9280 0.9785 0.0346 -0.0296 0.0447 183 ALA o O ? ? 1 +45561 N N . ARG AG 181 0.4608 0.9466 0.9927 0.0323 -0.0323 0.0442 184 ARG o N ? ? 1 +45562 C CA . ARG AG 181 0.4713 0.9631 1.0065 0.0394 -0.0360 0.0433 184 ARG o CA ? ? 1 +45563 C CB . ARG AG 181 0.5055 1.0106 1.0505 0.0408 -0.0392 0.0427 184 ARG o CB ? ? 1 +45564 C CG . ARG AG 181 0.5609 1.0696 1.1066 0.0488 -0.0434 0.0418 184 ARG o CG ? ? 1 +45565 C CD . ARG AG 181 0.6080 1.1294 1.1630 0.0501 -0.0468 0.0410 184 ARG o CD ? ? 1 +45566 N NE . ARG AG 181 0.6542 1.1826 1.2136 0.0571 -0.0505 0.0397 184 ARG o NE ? ? 1 +45567 C CZ . ARG AG 181 0.7091 1.2409 1.2688 0.0621 -0.0547 0.0391 184 ARG o CZ ? ? 1 +45568 N NH1 . ARG AG 181 0.7365 1.2632 1.2900 0.0616 -0.0559 0.0400 184 ARG o NH1 ? ? 1 +45569 N NH2 . ARG AG 181 0.7253 1.2657 1.2914 0.0678 -0.0579 0.0375 184 ARG o NH2 ? ? 1 +45570 C C . ARG AG 181 0.4339 0.9309 0.9751 0.0396 -0.0353 0.0421 184 ARG o C ? ? 1 +45571 O O . ARG AG 181 0.4511 0.9486 0.9917 0.0457 -0.0373 0.0414 184 ARG o O ? ? 1 +45572 N N . ALA AG 182 0.3888 0.8895 0.9357 0.0332 -0.0324 0.0418 185 ALA o N ? ? 1 +45573 C CA . ALA AG 182 0.3612 0.8658 0.9128 0.0328 -0.0314 0.0406 185 ALA o CA ? ? 1 +45574 C CB . ALA AG 182 0.3504 0.8665 0.9134 0.0267 -0.0302 0.0401 185 ALA o CB ? ? 1 +45575 C C . ALA AG 182 0.3566 0.8476 0.8981 0.0318 -0.0288 0.0408 185 ALA o C ? ? 1 +45576 O O . ALA AG 182 0.3550 0.8459 0.8968 0.0337 -0.0285 0.0399 185 ALA o O ? ? 1 +45577 N N . ASN AG 183 0.3550 0.8343 0.8873 0.0284 -0.0267 0.0419 186 ASN o N ? ? 1 +45578 C CA . ASN AG 183 0.3555 0.8212 0.8781 0.0265 -0.0239 0.0420 186 ASN o CA ? ? 1 +45579 C CB . ASN AG 183 0.3540 0.8126 0.8722 0.0197 -0.0208 0.0428 186 ASN o CB ? ? 1 +45580 C CG . ASN AG 183 0.3357 0.8042 0.8644 0.0127 -0.0193 0.0419 186 ASN o CG ? ? 1 +45581 O OD1 . ASN AG 183 0.3219 0.7992 0.8587 0.0120 -0.0197 0.0407 186 ASN o OD1 ? ? 1 +45582 N ND2 . ASN AG 183 0.3347 0.8017 0.8630 0.0076 -0.0174 0.0426 186 ASN o ND2 ? ? 1 +45583 C C . ASN AG 183 0.3673 0.8202 0.8776 0.0332 -0.0249 0.0425 186 ASN o C ? ? 1 +45584 O O . ASN AG 183 0.3785 0.8232 0.8829 0.0343 -0.0237 0.0420 186 ASN o O ? ? 1 +45585 N N . VAL AG 184 0.3693 0.8202 0.8755 0.0378 -0.0272 0.0435 187 VAL o N ? ? 1 +45586 C CA . VAL AG 184 0.3821 0.8200 0.8756 0.0445 -0.0284 0.0442 187 VAL o CA ? ? 1 +45587 C CB . VAL AG 184 0.3908 0.8194 0.8747 0.0449 -0.0285 0.0459 187 VAL o CB ? ? 1 +45588 C CG1 . VAL AG 184 0.4092 0.8231 0.8788 0.0521 -0.0298 0.0467 187 VAL o CG1 ? ? 1 +45589 C CG2 . VAL AG 184 0.3926 0.8140 0.8727 0.0366 -0.0242 0.0467 187 VAL o CG2 ? ? 1 +45590 C C . VAL AG 184 0.3771 0.8234 0.8756 0.0525 -0.0323 0.0432 187 VAL o C ? ? 1 +45591 O O . VAL AG 184 0.3696 0.8250 0.8736 0.0556 -0.0354 0.0431 187 VAL o O ? ? 1 +45592 N N . LYS AG 185 0.3818 0.8251 0.8783 0.0557 -0.0320 0.0423 188 LYS o N ? ? 1 +45593 C CA . LYS AG 185 0.3758 0.8270 0.8773 0.0632 -0.0351 0.0411 188 LYS o CA ? ? 1 +45594 C CB . LYS AG 185 0.3714 0.8214 0.8734 0.0641 -0.0335 0.0399 188 LYS o CB ? ? 1 +45595 C CG . LYS AG 185 0.3570 0.8136 0.8670 0.0564 -0.0307 0.0392 188 LYS o CG ? ? 1 +45596 C CD . LYS AG 185 0.3377 0.8112 0.8619 0.0526 -0.0315 0.0388 188 LYS o CD ? ? 1 +45597 C CE . LYS AG 185 0.3251 0.8049 0.8567 0.0461 -0.0291 0.0380 188 LYS o CE ? ? 1 +45598 N NZ . LYS AG 185 0.3093 0.8049 0.8541 0.0431 -0.0299 0.0377 188 LYS o NZ ? ? 1 +45599 C C . LYS AG 185 0.3963 0.8380 0.8872 0.0711 -0.0379 0.0419 188 LYS o C ? ? 1 +45600 O O . LYS AG 185 0.4120 0.8371 0.8889 0.0716 -0.0365 0.0431 188 LYS o O ? ? 1 +45601 N N . ARG AG 186 0.4009 0.8535 0.8987 0.0771 -0.0419 0.0410 189 ARG o N ? ? 1 +45602 C CA . ARG AG 186 0.4211 0.8671 0.9104 0.0855 -0.0454 0.0414 189 ARG o CA ? ? 1 +45603 C CB . ARG AG 186 0.4396 0.8909 0.9312 0.0858 -0.0483 0.0420 189 ARG o CB ? ? 1 +45604 C CG . ARG AG 186 0.4771 0.9181 0.9605 0.0794 -0.0456 0.0438 189 ARG o CG ? ? 1 +45605 C CD . ARG AG 186 0.5093 0.9556 0.9948 0.0797 -0.0484 0.0443 189 ARG o CD ? ? 1 +45606 N NE . ARG AG 186 0.5291 0.9933 1.0307 0.0752 -0.0488 0.0432 189 ARG o NE ? ? 1 +45607 C CZ . ARG AG 186 0.5537 1.0273 1.0613 0.0760 -0.0519 0.0428 189 ARG o CZ ? ? 1 +45608 N NH1 . ARG AG 186 0.5706 1.0384 1.0701 0.0816 -0.0553 0.0433 189 ARG o NH1 ? ? 1 +45609 N NH2 . ARG AG 186 0.5559 1.0447 1.0778 0.0713 -0.0517 0.0419 189 ARG o NH2 ? ? 1 +45610 C C . ARG AG 186 0.4060 0.8599 0.9011 0.0931 -0.0480 0.0397 189 ARG o C ? ? 1 +45611 O O . ARG AG 186 0.3905 0.8604 0.8998 0.0920 -0.0484 0.0382 189 ARG o O ? ? 1 +45612 N N . PHE AG 187 0.4124 0.8548 0.8963 0.1007 -0.0496 0.0399 190 PHE o N ? ? 1 +45613 C CA . PHE AG 187 0.4072 0.8557 0.8952 0.1090 -0.0521 0.0381 190 PHE o CA ? ? 1 +45614 C CB . PHE AG 187 0.4194 0.8513 0.8939 0.1130 -0.0504 0.0384 190 PHE o CB ? ? 1 +45615 C CG . PHE AG 187 0.4175 0.8548 0.8963 0.1202 -0.0516 0.0365 190 PHE o CG ? ? 1 +45616 C CD1 . PHE AG 187 0.4224 0.8645 0.9025 0.1297 -0.0562 0.0356 190 PHE o CD1 ? ? 1 +45617 C CD2 . PHE AG 187 0.4131 0.8506 0.8943 0.1179 -0.0482 0.0356 190 PHE o CD2 ? ? 1 +45618 C CE1 . PHE AG 187 0.4216 0.8695 0.9064 0.1366 -0.0571 0.0336 190 PHE o CE1 ? ? 1 +45619 C CE2 . PHE AG 187 0.4156 0.8581 0.9005 0.1247 -0.0491 0.0338 190 PHE o CE2 ? ? 1 +45620 C CZ . PHE AG 187 0.4190 0.8669 0.9061 0.1340 -0.0534 0.0328 190 PHE o CZ ? ? 1 +45621 C C . PHE AG 187 0.4070 0.8608 0.8962 0.1163 -0.0574 0.0377 190 PHE o C ? ? 1 +45622 O O . PHE AG 187 0.4196 0.8603 0.8957 0.1205 -0.0592 0.0390 190 PHE o O ? ? 1 +45623 N N . SER AG 188 0.3953 0.8680 0.8999 0.1175 -0.0600 0.0360 191 SER o N ? ? 1 +45624 C CA . SER AG 188 0.3990 0.8779 0.9059 0.1246 -0.0654 0.0352 191 SER o CA ? ? 1 +45625 C CB . SER AG 188 0.3834 0.8819 0.9068 0.1212 -0.0672 0.0339 191 SER o CB ? ? 1 +45626 O OG . SER AG 188 0.3726 0.8854 0.9101 0.1201 -0.0657 0.0320 191 SER o OG ? ? 1 +45627 C C . SER AG 188 0.4041 0.8840 0.9105 0.1346 -0.0681 0.0336 191 SER o C ? ? 1 +45628 O O . SER AG 188 0.3985 0.8811 0.9088 0.1353 -0.0658 0.0325 191 SER o O ? ? 1 +45629 N N . LEU AG 189 0.4179 0.8949 0.9187 0.1424 -0.0730 0.0334 192 LEU o N ? ? 1 +45630 C CA . LEU AG 189 0.4265 0.9071 0.9287 0.1526 -0.0766 0.0315 192 LEU o CA ? ? 1 +45631 C CB . LEU AG 189 0.4499 0.9098 0.9335 0.1588 -0.0763 0.0328 192 LEU o CB ? ? 1 +45632 C CG . LEU AG 189 0.4648 0.9257 0.9472 0.1705 -0.0804 0.0311 192 LEU o CG ? ? 1 +45633 C CD1 . LEU AG 189 0.4536 0.9337 0.9536 0.1724 -0.0804 0.0283 192 LEU o CD1 ? ? 1 +45634 C CD2 . LEU AG 189 0.4849 0.9257 0.9506 0.1749 -0.0784 0.0323 192 LEU o CD2 ? ? 1 +45635 C C . LEU AG 189 0.4249 0.9162 0.9332 0.1575 -0.0826 0.0303 192 LEU o C ? ? 1 +45636 O O . LEU AG 189 0.4328 0.9138 0.9298 0.1599 -0.0853 0.0316 192 LEU o O ? ? 1 +45637 N N . THR AG 190 0.4166 0.9284 0.9427 0.1586 -0.0845 0.0277 193 THR o N ? ? 1 +45638 C CA . THR AG 190 0.4166 0.9412 0.9511 0.1623 -0.0902 0.0260 193 THR o CA ? ? 1 +45639 C CB . THR AG 190 0.3991 0.9402 0.9495 0.1539 -0.0891 0.0252 193 THR o CB ? ? 1 +45640 O OG1 . THR AG 190 0.3943 0.9466 0.9571 0.1506 -0.0853 0.0239 193 THR o OG1 ? ? 1 +45641 C CG2 . THR AG 190 0.3964 0.9290 0.9402 0.1450 -0.0861 0.0277 193 THR o CG2 ? ? 1 +45642 C C . THR AG 190 0.4203 0.9545 0.9618 0.1722 -0.0940 0.0232 193 THR o C ? ? 1 +45643 O O . THR AG 190 0.4217 0.9522 0.9611 0.1759 -0.0919 0.0228 193 THR o O ? ? 1 +45644 N N . LYS AG 191 0.4244 0.9706 0.9739 0.1766 -0.0997 0.0212 194 LYS o N ? ? 1 +45645 C CA . LYS AG 191 0.4325 0.9891 0.9894 0.1864 -0.1042 0.0183 194 LYS o CA ? ? 1 +45646 C CB . LYS AG 191 0.4557 1.0062 1.0032 0.1946 -0.1111 0.0181 194 LYS o CB ? ? 1 +45647 C CG . LYS AG 191 0.4874 1.0131 1.0117 0.1982 -0.1109 0.0210 194 LYS o CG ? ? 1 +45648 C CD . LYS AG 191 0.5153 1.0326 1.0319 0.2078 -0.1114 0.0205 194 LYS o CD ? ? 1 +45649 C CE . LYS AG 191 0.5466 1.0385 1.0392 0.2124 -0.1119 0.0234 194 LYS o CE ? ? 1 +45650 N NZ . LYS AG 191 0.5536 1.0296 1.0350 0.2031 -0.1053 0.0267 194 LYS o NZ ? ? 1 +45651 C C . LYS AG 191 0.4121 0.9931 0.9914 0.1837 -0.1048 0.0153 194 LYS o C ? ? 1 +45652 O O . LYS AG 191 0.4002 0.9893 0.9874 0.1759 -0.1041 0.0154 194 LYS o O ? ? 1 +45653 N N . GLY AG 192 0.4092 1.0016 0.9985 0.1902 -0.1060 0.0125 195 GLY o N ? ? 1 +45654 C CA . GLY AG 192 0.3993 1.0151 1.0098 0.1892 -0.1072 0.0093 195 GLY o CA ? ? 1 +45655 C C . GLY AG 192 0.4100 1.0354 1.0264 0.2001 -0.1134 0.0061 195 GLY o C ? ? 1 +45656 O O . GLY AG 192 0.4239 1.0376 1.0282 0.2089 -0.1159 0.0064 195 GLY o O ? ? 1 +45657 N N . GLN AG 193 0.4078 1.0543 1.0428 0.1993 -0.1160 0.0029 196 GLN o N ? ? 1 +45658 C CA . GLN AG 193 0.4178 1.0770 1.0618 0.2089 -0.1221 -0.0007 196 GLN o CA ? ? 1 +45659 C CB . GLN AG 193 0.4386 1.1066 1.0881 0.2086 -0.1285 -0.0023 196 GLN o CB ? ? 1 +45660 C CG . GLN AG 193 0.4819 1.1319 1.1121 0.2116 -0.1329 0.0000 196 GLN o CG ? ? 1 +45661 C CD . GLN AG 193 0.5351 1.1706 1.1540 0.2019 -0.1281 0.0040 196 GLN o CD ? ? 1 +45662 O OE1 . GLN AG 193 0.5905 1.2054 1.1908 0.2028 -0.1259 0.0072 196 GLN o OE1 ? ? 1 +45663 N NE2 . GLN AG 193 0.5412 1.1873 1.1714 0.1923 -0.1260 0.0038 196 GLN o NE2 ? ? 1 +45664 C C . GLN AG 193 0.3904 1.0689 1.0537 0.2087 -0.1191 -0.0038 196 GLN o C ? ? 1 +45665 O O . GLN AG 193 0.3731 1.0607 1.0472 0.1996 -0.1143 -0.0037 196 GLN o O ? ? 1 +45666 N N . ILE AG 194 0.3848 1.0689 1.0519 0.2188 -0.1217 -0.0064 197 ILE o N ? ? 1 +45667 C CA . ILE AG 194 0.3676 1.0714 1.0539 0.2197 -0.1194 -0.0098 197 ILE o CA ? ? 1 +45668 C CB . ILE AG 194 0.3648 1.0614 1.0465 0.2210 -0.1131 -0.0088 197 ILE o CB ? ? 1 +45669 C CG1 . ILE AG 194 0.3499 1.0665 1.0516 0.2194 -0.1090 -0.0118 197 ILE o CG1 ? ? 1 +45670 C CG2 . ILE AG 194 0.3826 1.0657 1.0503 0.2324 -0.1158 -0.0086 197 ILE o CG2 ? ? 1 +45671 C CD1 . ILE AG 194 0.3507 1.0604 1.0481 0.2192 -0.1021 -0.0107 197 ILE o CD1 ? ? 1 +45672 C C . ILE AG 194 0.3713 1.0898 1.0682 0.2295 -0.1264 -0.0140 197 ILE o C ? ? 1 +45673 O O . ILE AG 194 0.3791 1.0884 1.0649 0.2390 -0.1319 -0.0140 197 ILE o O ? ? 1 +45674 N N . SER AG 195 0.3632 1.1046 1.0818 0.2267 -0.1261 -0.0174 198 SER o N ? ? 1 +45675 C CA . SER AG 195 0.3681 1.1273 1.1013 0.2352 -0.1310 -0.0221 198 SER o CA ? ? 1 +45676 C CB . SER AG 195 0.3560 1.1342 1.1060 0.2309 -0.1350 -0.0251 198 SER o CB ? ? 1 +45677 O OG . SER AG 195 0.3627 1.1325 1.1025 0.2318 -0.1415 -0.0241 198 SER o OG ? ? 1 +45678 C C . SER AG 195 0.3666 1.1373 1.1122 0.2367 -0.1255 -0.0242 198 SER o C ? ? 1 +45679 O O . SER AG 195 0.3548 1.1324 1.1096 0.2278 -0.1189 -0.0238 198 SER o O ? ? 1 +45680 N N . LEU AG 196 0.3803 1.1527 1.1258 0.2481 -0.1281 -0.0263 199 LEU o N ? ? 1 +45681 C CA . LEU AG 196 0.3825 1.1689 1.1423 0.2509 -0.1238 -0.0292 199 LEU o CA ? ? 1 +45682 C CB . LEU AG 196 0.3969 1.1681 1.1427 0.2583 -0.1211 -0.0277 199 LEU o CB ? ? 1 +45683 C CG . LEU AG 196 0.4009 1.1535 1.1321 0.2506 -0.1139 -0.0232 199 LEU o CG ? ? 1 +45684 C CD1 . LEU AG 196 0.4112 1.1416 1.1212 0.2497 -0.1168 -0.0193 199 LEU o CD1 ? ? 1 +45685 C CD2 . LEU AG 196 0.4111 1.1572 1.1373 0.2556 -0.1090 -0.0230 199 LEU o CD2 ? ? 1 +45686 C C . LEU AG 196 0.3842 1.1929 1.1626 0.2576 -0.1297 -0.0344 199 LEU o C ? ? 1 +45687 O O . LEU AG 196 0.3909 1.1975 1.1644 0.2682 -0.1367 -0.0359 199 LEU o O ? ? 1 +45688 N N . ASN AG 197 0.3792 1.2089 1.1786 0.2510 -0.1267 -0.0372 200 ASN o N ? ? 1 +45689 C CA . ASN AG 197 0.3867 1.2401 1.2067 0.2557 -0.1311 -0.0425 200 ASN o CA ? ? 1 +45690 C CB . ASN AG 197 0.3836 1.2519 1.2190 0.2449 -0.1306 -0.0438 200 ASN o CB ? ? 1 +45691 C CG . ASN AG 197 0.3917 1.2854 1.2498 0.2474 -0.1350 -0.0495 200 ASN o CG ? ? 1 +45692 O OD1 . ASN AG 197 0.4207 1.3250 1.2870 0.2574 -0.1382 -0.0532 200 ASN o OD1 ? ? 1 +45693 N ND2 . ASN AG 197 0.3836 1.2875 1.2525 0.2378 -0.1350 -0.0503 200 ASN o ND2 ? ? 1 +45694 C C . ASN AG 197 0.3767 1.2425 1.2091 0.2609 -0.1266 -0.0455 200 ASN o C ? ? 1 +45695 O O . ASN AG 197 0.3598 1.2345 1.2031 0.2536 -0.1191 -0.0457 200 ASN o O ? ? 1 +45696 N N . VAL AG 198 0.3918 1.2575 1.2218 0.2737 -0.1312 -0.0476 201 VAL o N ? ? 1 +45697 C CA . VAL AG 198 0.3971 1.2759 1.2396 0.2800 -0.1277 -0.0509 201 VAL o CA ? ? 1 +45698 C CB . VAL AG 198 0.4100 1.2829 1.2442 0.2952 -0.1333 -0.0524 201 VAL o CB ? ? 1 +45699 C CG1 . VAL AG 198 0.4084 1.2940 1.2551 0.3014 -0.1288 -0.0557 201 VAL o CG1 ? ? 1 +45700 C CG2 . VAL AG 198 0.4226 1.2661 1.2290 0.2983 -0.1337 -0.0474 201 VAL o CG2 ? ? 1 +45701 C C . VAL AG 198 0.3891 1.2965 1.2589 0.2767 -0.1276 -0.0559 201 VAL o C ? ? 1 +45702 O O . VAL AG 198 0.4053 1.3245 1.2843 0.2782 -0.1349 -0.0588 201 VAL o O ? ? 1 +45703 N N . ALA AG 199 0.3801 1.2981 1.2621 0.2722 -0.1191 -0.0569 202 ALA o N ? ? 1 +45704 C CA . ALA AG 199 0.3691 1.3134 1.2770 0.2677 -0.1170 -0.0614 202 ALA o CA ? ? 1 +45705 C CB . ALA AG 199 0.3547 1.2998 1.2665 0.2531 -0.1096 -0.0590 202 ALA o CB ? ? 1 +45706 C C . ALA AG 199 0.3729 1.3315 1.2941 0.2748 -0.1131 -0.0651 202 ALA o C ? ? 1 +45707 O O . ALA AG 199 0.3612 1.3434 1.3047 0.2748 -0.1135 -0.0699 202 ALA o O ? ? 1 +45708 N N . LYS AG 200 0.3875 1.3316 1.2951 0.2807 -0.1092 -0.0630 203 LYS o N ? ? 1 +45709 C CA . LYS AG 200 0.3993 1.3539 1.3165 0.2885 -0.1054 -0.0662 203 LYS o CA ? ? 1 +45710 C CB . LYS AG 200 0.4041 1.3601 1.3255 0.2802 -0.0941 -0.0649 203 LYS o CB ? ? 1 +45711 C CG . LYS AG 200 0.4034 1.3770 1.3434 0.2680 -0.0901 -0.0663 203 LYS o CG ? ? 1 +45712 C CD . LYS AG 200 0.4115 1.3842 1.3531 0.2601 -0.0789 -0.0647 203 LYS o CD ? ? 1 +45713 C CE . LYS AG 200 0.4081 1.3978 1.3679 0.2482 -0.0745 -0.0660 203 LYS o CE ? ? 1 +45714 N NZ . LYS AG 200 0.4097 1.3980 1.3703 0.2412 -0.0635 -0.0644 203 LYS o NZ ? ? 1 +45715 C C . LYS AG 200 0.4139 1.3510 1.3129 0.3010 -0.1083 -0.0650 203 LYS o C ? ? 1 +45716 O O . LYS AG 200 0.4117 1.3247 1.2886 0.2997 -0.1073 -0.0602 203 LYS o O ? ? 1 +45717 N N . VAL AG 201 0.4195 1.3689 1.3281 0.3130 -0.1117 -0.0693 204 VAL o N ? ? 1 +45718 C CA . VAL AG 201 0.4371 1.3715 1.3299 0.3259 -0.1143 -0.0687 204 VAL o CA ? ? 1 +45719 C CB . VAL AG 201 0.4420 1.3737 1.3290 0.3362 -0.1259 -0.0700 204 VAL o CB ? ? 1 +45720 C CG1 . VAL AG 201 0.4607 1.3724 1.3275 0.3488 -0.1282 -0.0684 204 VAL o CG1 ? ? 1 +45721 C CG2 . VAL AG 201 0.4370 1.3594 1.3150 0.3288 -0.1310 -0.0671 204 VAL o CG2 ? ? 1 +45722 C C . VAL AG 201 0.4518 1.4001 1.3578 0.3329 -0.1094 -0.0725 204 VAL o C ? ? 1 +45723 O O . VAL AG 201 0.4440 1.4173 1.3729 0.3348 -0.1103 -0.0775 204 VAL o O ? ? 1 +45724 N N . ASP AG 202 0.4749 1.4068 1.3662 0.3365 -0.1039 -0.0701 205 ASP o N ? ? 1 +45725 C CA . ASP AG 202 0.4912 1.4316 1.3900 0.3460 -0.1003 -0.0734 205 ASP o CA ? ? 1 +45726 C CB . ASP AG 202 0.4921 1.4236 1.3849 0.3405 -0.0893 -0.0711 205 ASP o CB ? ? 1 +45727 C CG . ASP AG 202 0.5052 1.4472 1.4074 0.3493 -0.0846 -0.0747 205 ASP o CG ? ? 1 +45728 O OD1 . ASP AG 202 0.5085 1.4508 1.4090 0.3628 -0.0900 -0.0771 205 ASP o OD1 ? ? 1 +45729 O OD2 . ASP AG 202 0.5084 1.4576 1.4191 0.3430 -0.0753 -0.0751 205 ASP o OD2 ? ? 1 +45730 C C . ASP AG 202 0.5252 1.4514 1.4083 0.3606 -0.1077 -0.0734 205 ASP o C ? ? 1 +45731 O O . ASP AG 202 0.5333 1.4338 1.3927 0.3622 -0.1070 -0.0691 205 ASP o O ? ? 1 +45732 N N . GLY AG 203 0.5367 1.4798 1.4332 0.3712 -0.1147 -0.0782 206 GLY o N ? ? 1 +45733 C CA . GLY AG 203 0.5662 1.4979 1.4494 0.3856 -0.1230 -0.0786 206 GLY o CA ? ? 1 +45734 C C . GLY AG 203 0.6002 1.5204 1.4727 0.3959 -0.1190 -0.0785 206 GLY o C ? ? 1 +45735 O O . GLY AG 203 0.6317 1.5333 1.4853 0.4061 -0.1241 -0.0769 206 GLY o O ? ? 1 +45736 N N . ARG AG 204 0.6095 1.5406 1.4939 0.3933 -0.1098 -0.0802 207 ARG o N ? ? 1 +45737 C CA . ARG AG 204 0.6367 1.5598 1.5137 0.4023 -0.1049 -0.0807 207 ARG o CA ? ? 1 +45738 C CB . ARG AG 204 0.6664 1.6150 1.5682 0.4012 -0.0972 -0.0852 207 ARG o CB ? ? 1 +45739 C CG . ARG AG 204 0.7010 1.6619 1.6165 0.3848 -0.0906 -0.0845 207 ARG o CG ? ? 1 +45740 C CD . ARG AG 204 0.7319 1.7199 1.6736 0.3815 -0.0832 -0.0890 207 ARG o CD ? ? 1 +45741 N NE . ARG AG 204 0.7512 1.7452 1.7008 0.3653 -0.0773 -0.0872 207 ARG o NE ? ? 1 +45742 C CZ . ARG AG 204 0.7621 1.7652 1.7206 0.3568 -0.0815 -0.0872 207 ARG o CZ ? ? 1 +45743 N NH1 . ARG AG 204 0.7841 1.7965 1.7493 0.3627 -0.0916 -0.0899 207 ARG o NH1 ? ? 1 +45744 N NH2 . ARG AG 204 0.7377 1.7406 1.6982 0.3423 -0.0755 -0.0847 207 ARG o NH2 ? ? 1 +45745 C C . ARG AG 204 0.6152 1.5087 1.4666 0.3973 -0.0993 -0.0749 207 ARG o C ? ? 1 +45746 O O . ARG AG 204 0.6295 1.5041 1.4628 0.4065 -0.1001 -0.0735 207 ARG o O ? ? 1 +45747 N N . THR AG 205 0.5792 1.4685 1.4289 0.3825 -0.0938 -0.0716 208 THR o N ? ? 1 +45748 C CA . THR AG 205 0.5674 1.4307 1.3947 0.3765 -0.0882 -0.0664 208 THR o CA ? ? 1 +45749 C CB . THR AG 205 0.5528 1.4217 1.3877 0.3617 -0.0788 -0.0650 208 THR o CB ? ? 1 +45750 O OG1 . THR AG 205 0.5398 1.4145 1.3806 0.3509 -0.0816 -0.0636 208 THR o OG1 ? ? 1 +45751 C CG2 . THR AG 205 0.5433 1.4359 1.4005 0.3621 -0.0721 -0.0693 208 THR o CG2 ? ? 1 +45752 C C . THR AG 205 0.5552 1.3951 1.3605 0.3745 -0.0942 -0.0619 208 THR o C ? ? 1 +45753 O O . THR AG 205 0.5575 1.3726 1.3408 0.3744 -0.0918 -0.0580 208 THR o O ? ? 1 +45754 N N . GLY AG 206 0.5348 1.3825 1.3461 0.3728 -0.1017 -0.0623 209 GLY o N ? ? 1 +45755 C CA . GLY AG 206 0.5274 1.3547 1.3195 0.3694 -0.1069 -0.0580 209 GLY o CA ? ? 1 +45756 C C . GLY AG 206 0.5000 1.3212 1.2887 0.3534 -0.1017 -0.0542 209 GLY o C ? ? 1 +45757 O O . GLY AG 206 0.5074 1.3063 1.2761 0.3494 -0.1026 -0.0497 209 GLY o O ? ? 1 +45758 N N . GLU AG 207 0.4687 1.3099 1.2773 0.3445 -0.0962 -0.0560 210 GLU o N ? ? 1 +45759 C CA . GLU AG 207 0.4436 1.2826 1.2524 0.3294 -0.0913 -0.0530 210 GLU o CA ? ? 1 +45760 C CB . GLU AG 207 0.4344 1.2843 1.2551 0.3229 -0.0813 -0.0540 210 GLU o CB ? ? 1 +45761 C CG . GLU AG 207 0.4455 1.2787 1.2516 0.3262 -0.0749 -0.0523 210 GLU o CG ? ? 1 +45762 C CD . GLU AG 207 0.4389 1.2850 1.2580 0.3229 -0.0656 -0.0543 210 GLU o CD ? ? 1 +45763 O OE1 . GLU AG 207 0.4432 1.3073 1.2780 0.3306 -0.0652 -0.0588 210 GLU o OE1 ? ? 1 +45764 O OE2 . GLU AG 207 0.4232 1.2613 1.2367 0.3128 -0.0587 -0.0515 210 GLU o OE2 ? ? 1 +45765 C C . GLU AG 207 0.4237 1.2780 1.2460 0.3236 -0.0967 -0.0542 210 GLU o C ? ? 1 +45766 O O . GLU AG 207 0.4112 1.2883 1.2535 0.3272 -0.0997 -0.0587 210 GLU o O ? ? 1 +45767 N N . ILE AG 208 0.4143 1.2557 1.2254 0.3144 -0.0978 -0.0502 211 ILE o N ? ? 1 +45768 C CA . ILE AG 208 0.3958 1.2494 1.2180 0.3068 -0.1017 -0.0508 211 ILE o CA ? ? 1 +45769 C CB . ILE AG 208 0.4072 1.2483 1.2157 0.3110 -0.1110 -0.0492 211 ILE o CB ? ? 1 +45770 C CG1 . ILE AG 208 0.4162 1.2274 1.1978 0.3085 -0.1097 -0.0436 211 ILE o CG1 ? ? 1 +45771 C CG2 . ILE AG 208 0.4204 1.2676 1.2317 0.3259 -0.1184 -0.0528 211 ILE o CG2 ? ? 1 +45772 C CD1 . ILE AG 208 0.4247 1.2219 1.1914 0.3111 -0.1175 -0.0415 211 ILE o CD1 ? ? 1 +45773 C C . ILE AG 208 0.3754 1.2263 1.1978 0.2919 -0.0948 -0.0477 211 ILE o C ? ? 1 +45774 O O . ILE AG 208 0.3793 1.2128 1.1870 0.2881 -0.0892 -0.0442 211 ILE o O ? ? 1 +45775 N N . ALA AG 209 0.3538 1.2221 1.1928 0.2838 -0.0954 -0.0493 212 ALA o N ? ? 1 +45776 C CA . ALA AG 209 0.3350 1.2004 1.1736 0.2699 -0.0905 -0.0463 212 ALA o CA ? ? 1 +45777 C CB . ALA AG 209 0.3247 1.2025 1.1769 0.2634 -0.0813 -0.0475 212 ALA o CB ? ? 1 +45778 C C . ALA AG 209 0.3219 1.1979 1.1699 0.2646 -0.0963 -0.0473 212 ALA o C ? ? 1 +45779 O O . ALA AG 209 0.3215 1.2119 1.1811 0.2708 -0.1027 -0.0510 212 ALA o O ? ? 1 +45780 N N . GLY AG 210 0.3127 1.1812 1.1554 0.2531 -0.0940 -0.0439 213 GLY o N ? ? 1 +45781 C CA . GLY AG 210 0.3027 1.1807 1.1541 0.2467 -0.0984 -0.0446 213 GLY o CA ? ? 1 +45782 C C . GLY AG 210 0.2933 1.1612 1.1374 0.2339 -0.0943 -0.0406 213 GLY o C ? ? 1 +45783 O O . GLY AG 210 0.2874 1.1479 1.1266 0.2286 -0.0868 -0.0382 213 GLY o O ? ? 1 +45784 N N . THR AG 211 0.2896 1.1581 1.1339 0.2292 -0.0994 -0.0400 214 THR o N ? ? 1 +45785 C CA . THR AG 211 0.2844 1.1426 1.1208 0.2179 -0.0967 -0.0362 214 THR o CA ? ? 1 +45786 C CB . THR AG 211 0.2681 1.1426 1.1208 0.2093 -0.0974 -0.0380 214 THR o CB ? ? 1 +45787 O OG1 . THR AG 211 0.2695 1.1490 1.1246 0.2139 -0.1064 -0.0401 214 THR o OG1 ? ? 1 +45788 C CG2 . THR AG 211 0.2579 1.1535 1.1319 0.2064 -0.0921 -0.0414 214 THR o CG2 ? ? 1 +45789 C C . THR AG 211 0.3007 1.1374 1.1157 0.2204 -0.1017 -0.0328 214 THR o C ? ? 1 +45790 O O . THR AG 211 0.3090 1.1414 1.1175 0.2302 -0.1082 -0.0337 214 THR o O ? ? 1 +45791 N N . PHE AG 212 0.3064 1.1296 1.1105 0.2113 -0.0986 -0.0287 215 PHE o N ? ? 1 +45792 C CA . PHE AG 212 0.3220 1.1256 1.1067 0.2121 -0.1028 -0.0254 215 PHE o CA ? ? 1 +45793 C CB . PHE AG 212 0.3314 1.1137 1.0967 0.2153 -0.0996 -0.0221 215 PHE o CB ? ? 1 +45794 C CG . PHE AG 212 0.3218 1.0950 1.0814 0.2059 -0.0917 -0.0189 215 PHE o CG ? ? 1 +45795 C CD2 . PHE AG 212 0.3173 1.0960 1.0835 0.2048 -0.0850 -0.0196 215 PHE o CD2 ? ? 1 +45796 C CD1 . PHE AG 212 0.3196 1.0780 1.0663 0.1987 -0.0912 -0.0151 215 PHE o CD1 ? ? 1 +45797 C CE2 . PHE AG 212 0.3129 1.0829 1.0732 0.1964 -0.0782 -0.0167 215 PHE o CE2 ? ? 1 +45798 C CE1 . PHE AG 212 0.3155 1.0657 1.0570 0.1904 -0.0844 -0.0123 215 PHE o CE1 ? ? 1 +45799 C CZ . PHE AG 212 0.3120 1.0680 1.0601 0.1893 -0.0781 -0.0132 215 PHE o CZ ? ? 1 +45800 C C . PHE AG 212 0.3233 1.1240 1.1066 0.2011 -0.1022 -0.0231 215 PHE o C ? ? 1 +45801 O O . PHE AG 212 0.3127 1.1222 1.1064 0.1922 -0.0970 -0.0231 215 PHE o O ? ? 1 +45802 N N . GLU AG 213 0.3478 1.1362 1.1181 0.2020 -0.1076 -0.0212 216 GLU o N ? ? 1 +45803 C CA . GLU AG 213 0.3612 1.1425 1.1260 0.1923 -0.1068 -0.0184 216 GLU o CA ? ? 1 +45804 C CB . GLU AG 213 0.3875 1.1822 1.1636 0.1899 -0.1123 -0.0208 216 GLU o CB ? ? 1 +45805 C CG . GLU AG 213 0.4161 1.2046 1.1879 0.1794 -0.1109 -0.0181 216 GLU o CG ? ? 1 +45806 C CD . GLU AG 213 0.4517 1.2544 1.2363 0.1753 -0.1149 -0.0205 216 GLU o CD ? ? 1 +45807 O OE1 . GLU AG 213 0.5087 1.3307 1.3122 0.1739 -0.1141 -0.0240 216 GLU o OE1 ? ? 1 +45808 O OE2 . GLU AG 213 0.4740 1.2683 1.2498 0.1728 -0.1186 -0.0190 216 GLU o OE2 ? ? 1 +45809 C C . GLU AG 213 0.3586 1.1159 1.1003 0.1943 -0.1081 -0.0145 216 GLU o C ? ? 1 +45810 O O . GLU AG 213 0.3698 1.1198 1.1022 0.2032 -0.1137 -0.0148 216 GLU o O ? ? 1 +45811 N N . SER AG 214 0.3442 1.0891 1.0766 0.1861 -0.1029 -0.0109 217 SER o N ? ? 1 +45812 C CA . SER AG 214 0.3509 1.0733 1.0620 0.1868 -0.1034 -0.0072 217 SER o CA ? ? 1 +45813 C CB . SER AG 214 0.3557 1.0658 1.0567 0.1894 -0.0984 -0.0056 217 SER o CB ? ? 1 +45814 O OG . SER AG 214 0.3602 1.0635 1.0577 0.1803 -0.0918 -0.0029 217 SER o OG ? ? 1 +45815 C C . SER AG 214 0.3432 1.0598 1.0503 0.1765 -0.1018 -0.0045 217 SER o C ? ? 1 +45816 O O . SER AG 214 0.3236 1.0495 1.0413 0.1681 -0.0977 -0.0046 217 SER o O ? ? 1 +45817 N N . GLU AG 215 0.3571 1.0582 1.0485 0.1775 -0.1051 -0.0022 218 GLU o N ? ? 1 +45818 C CA . GLU AG 215 0.3530 1.0466 1.0384 0.1686 -0.1037 0.0005 218 GLU o CA ? ? 1 +45819 C CB . GLU AG 215 0.3754 1.0725 1.0616 0.1694 -0.1103 -0.0005 218 GLU o CB ? ? 1 +45820 C CG . GLU AG 215 0.3852 1.1022 1.0906 0.1639 -0.1107 -0.0031 218 GLU o CG ? ? 1 +45821 C CD . GLU AG 215 0.4097 1.1331 1.1184 0.1655 -0.1177 -0.0050 218 GLU o CD ? ? 1 +45822 O OE1 . GLU AG 215 0.4204 1.1513 1.1336 0.1739 -0.1234 -0.0079 218 GLU o OE1 ? ? 1 +45823 O OE2 . GLU AG 215 0.4244 1.1454 1.1314 0.1583 -0.1176 -0.0036 218 GLU o OE2 ? ? 1 +45824 C C . GLU AG 215 0.3450 1.0162 1.0105 0.1677 -0.1010 0.0043 218 GLU o C ? ? 1 +45825 O O . GLU AG 215 0.3526 1.0115 1.0053 0.1754 -0.1036 0.0049 218 GLU o O ? ? 1 +45826 N N . GLN AG 216 0.3235 0.9895 0.9867 0.1584 -0.0957 0.0067 219 GLN o N ? ? 1 +45827 C CA . GLN AG 216 0.3238 0.9696 0.9694 0.1562 -0.0928 0.0101 219 GLN o CA ? ? 1 +45828 C CB . GLN AG 216 0.3267 0.9663 0.9680 0.1593 -0.0886 0.0104 219 GLN o CB ? ? 1 +45829 C CG . GLN AG 216 0.3128 0.9648 0.9676 0.1542 -0.0834 0.0094 219 GLN o CG ? ? 1 +45830 C CD . GLN AG 216 0.3158 0.9582 0.9633 0.1555 -0.0787 0.0103 219 GLN o CD ? ? 1 +45831 O OE1 . GLN AG 216 0.3223 0.9689 0.9732 0.1624 -0.0787 0.0084 219 GLN o OE1 ? ? 1 +45832 N NE2 . GLN AG 216 0.3143 0.9438 0.9518 0.1494 -0.0748 0.0129 219 GLN o NE2 ? ? 1 +45833 C C . GLN AG 216 0.3103 0.9538 0.9559 0.1453 -0.0888 0.0123 219 GLN o C ? ? 1 +45834 O O . GLN AG 216 0.2959 0.9532 0.9551 0.1395 -0.0877 0.0112 219 GLN o O ? ? 1 +45835 N N . LEU AG 217 0.3145 0.9401 0.9446 0.1425 -0.0866 0.0153 220 LEU o N ? ? 1 +45836 C CA . LEU AG 217 0.3039 0.9262 0.9330 0.1326 -0.0826 0.0174 220 LEU o CA ? ? 1 +45837 C CB . LEU AG 217 0.3155 0.9192 0.9273 0.1314 -0.0830 0.0202 220 LEU o CB ? ? 1 +45838 C CG . LEU AG 217 0.3214 0.9233 0.9287 0.1348 -0.0887 0.0201 220 LEU o CG ? ? 1 +45839 C CD1 . LEU AG 217 0.3328 0.9147 0.9215 0.1341 -0.0883 0.0230 220 LEU o CD1 ? ? 1 +45840 C CD2 . LEU AG 217 0.3080 0.9236 0.9276 0.1292 -0.0901 0.0190 220 LEU o CD2 ? ? 1 +45841 C C . LEU AG 217 0.2962 0.9183 0.9278 0.1283 -0.0765 0.0180 220 LEU o C ? ? 1 +45842 O O . LEU AG 217 0.3028 0.9200 0.9301 0.1331 -0.0750 0.0177 220 LEU o O ? ? 1 +45843 N N . SER AG 218 0.2836 0.9110 0.9218 0.1195 -0.0731 0.0187 221 SER o N ? ? 1 +45844 C CA . SER AG 218 0.2781 0.9044 0.9176 0.1143 -0.0675 0.0195 221 SER o CA ? ? 1 +45845 C CB . SER AG 218 0.2630 0.9033 0.9165 0.1070 -0.0654 0.0189 221 SER o CB ? ? 1 +45846 O OG . SER AG 218 0.2598 0.8967 0.9106 0.1008 -0.0657 0.0205 221 SER o OG ? ? 1 +45847 C C . SER AG 218 0.2830 0.8916 0.9077 0.1105 -0.0647 0.0222 221 SER o C ? ? 1 +45848 O O . SER AG 218 0.2888 0.8855 0.9020 0.1119 -0.0668 0.0236 221 SER o O ? ? 1 +45849 N N . ASP AG 219 0.2805 0.8872 0.9055 0.1057 -0.0599 0.0229 222 ASP o N ? ? 1 +45850 C CA . ASP AG 219 0.2907 0.8819 0.9031 0.1015 -0.0569 0.0251 222 ASP o CA ? ? 1 +45851 C CB . ASP AG 219 0.2847 0.8778 0.9007 0.0970 -0.0521 0.0251 222 ASP o CB ? ? 1 +45852 C CG . ASP AG 219 0.2851 0.8654 0.8914 0.0908 -0.0489 0.0271 222 ASP o CG ? ? 1 +45853 O OD1 . ASP AG 219 0.2965 0.8621 0.8897 0.0926 -0.0493 0.0283 222 ASP o OD1 ? ? 1 +45854 O OD2 . ASP AG 219 0.2743 0.8593 0.8861 0.0843 -0.0459 0.0274 222 ASP o OD2 ? ? 1 +45855 C C . ASP AG 219 0.2928 0.8805 0.9024 0.0953 -0.0574 0.0268 222 ASP o C ? ? 1 +45856 O O . ASP AG 219 0.2820 0.8810 0.9019 0.0912 -0.0579 0.0264 222 ASP o O ? ? 1 +45857 N N . ASP AG 220 0.3124 0.8841 0.9079 0.0947 -0.0570 0.0287 223 ASP o N ? ? 1 +45858 C CA . ASP AG 220 0.3212 0.8880 0.9128 0.0886 -0.0567 0.0303 223 ASP o CA ? ? 1 +45859 C CB . ASP AG 220 0.3370 0.8931 0.9171 0.0931 -0.0601 0.0312 223 ASP o CB ? ? 1 +45860 C CG . ASP AG 220 0.3576 0.8958 0.9219 0.0966 -0.0591 0.0325 223 ASP o CG ? ? 1 +45861 O OD1 . ASP AG 220 0.3629 0.8963 0.9247 0.0951 -0.0557 0.0326 223 ASP o OD1 ? ? 1 +45862 O OD2 . ASP AG 220 0.3782 0.9067 0.9321 0.1006 -0.0616 0.0333 223 ASP o OD2 ? ? 1 +45863 C C . ASP AG 220 0.3279 0.8856 0.9137 0.0818 -0.0522 0.0319 223 ASP o C ? ? 1 +45864 O O . ASP AG 220 0.3245 0.8764 0.9057 0.0767 -0.0514 0.0333 223 ASP o O ? ? 1 +45865 N N . ASP AG 221 0.3403 0.8970 0.9264 0.0818 -0.0494 0.0314 224 ASP o N ? ? 1 +45866 C CA . ASP AG 221 0.3555 0.9045 0.9370 0.0757 -0.0453 0.0324 224 ASP o CA ? ? 1 +45867 C CB . ASP AG 221 0.3547 0.9141 0.9465 0.0682 -0.0436 0.0324 224 ASP o CB ? ? 1 +45868 C CG . ASP AG 221 0.3599 0.9148 0.9497 0.0623 -0.0397 0.0329 224 ASP o CG ? ? 1 +45869 O OD1 . ASP AG 221 0.3749 0.9211 0.9575 0.0642 -0.0382 0.0327 224 ASP o OD1 ? ? 1 +45870 O OD2 . ASP AG 221 0.3610 0.9211 0.9563 0.0559 -0.0384 0.0333 224 ASP o OD2 ? ? 1 +45871 C C . ASP AG 221 0.3735 0.9056 0.9405 0.0743 -0.0447 0.0341 224 ASP o C ? ? 1 +45872 O O . ASP AG 221 0.3604 0.8891 0.9257 0.0677 -0.0428 0.0352 224 ASP o O ? ? 1 +45873 N N . MET AG 222 0.4025 0.9245 0.9594 0.0810 -0.0465 0.0343 225 MET o N ? ? 1 +45874 C CA . MET AG 222 0.4297 0.9337 0.9713 0.0808 -0.0456 0.0359 225 MET o CA ? ? 1 +45875 C CB . MET AG 222 0.4639 0.9588 1.0000 0.0765 -0.0415 0.0362 225 MET o CB ? ? 1 +45876 C CG . MET AG 222 0.4941 0.9915 1.0325 0.0806 -0.0408 0.0347 225 MET o CG ? ? 1 +45877 S SD . MET AG 222 0.5550 1.0338 1.0791 0.0799 -0.0375 0.0351 225 MET o SD ? ? 1 +45878 C CE . MET AG 222 0.5622 1.0302 1.0750 0.0904 -0.0405 0.0352 225 MET o CE ? ? 1 +45879 C C . MET AG 222 0.4193 0.9205 0.9581 0.0766 -0.0461 0.0373 225 MET o C ? ? 1 +45880 O O . MET AG 222 0.4269 0.9163 0.9567 0.0720 -0.0435 0.0387 225 MET o O ? ? 1 +45881 N N . GLY AG 223 0.4032 0.9153 0.9497 0.0781 -0.0493 0.0368 226 GLY o N ? ? 1 +45882 C CA . GLY AG 223 0.3955 0.9052 0.9390 0.0755 -0.0503 0.0380 226 GLY o CA ? ? 1 +45883 C C . GLY AG 223 0.3778 0.8975 0.9313 0.0676 -0.0488 0.0381 226 GLY o C ? ? 1 +45884 O O . GLY AG 223 0.3800 0.8984 0.9316 0.0650 -0.0493 0.0389 226 GLY o O ? ? 1 +45885 N N . ALA AG 224 0.3643 0.8936 0.9279 0.0641 -0.0467 0.0372 227 ALA o N ? ? 1 +45886 C CA . ALA AG 224 0.3548 0.8925 0.9271 0.0567 -0.0450 0.0373 227 ALA o CA ? ? 1 +45887 C CB . ALA AG 224 0.3523 0.8943 0.9303 0.0533 -0.0420 0.0366 227 ALA o CB ? ? 1 +45888 C C . ALA AG 224 0.3470 0.8988 0.9305 0.0568 -0.0477 0.0365 227 ALA o C ? ? 1 +45889 O O . ALA AG 224 0.3351 0.8917 0.9235 0.0512 -0.0468 0.0368 227 ALA o O ? ? 1 +45890 N N . HIS AG 225 0.3466 0.9055 0.9347 0.0630 -0.0510 0.0351 228 HIS o N ? ? 1 +45891 C CA . HIS AG 225 0.3408 0.9127 0.9393 0.0633 -0.0538 0.0341 228 HIS o CA ? ? 1 +45892 C CB . HIS AG 225 0.3243 0.9103 0.9366 0.0597 -0.0522 0.0330 228 HIS o CB ? ? 1 +45893 C CG . HIS AG 225 0.3230 0.9145 0.9403 0.0638 -0.0519 0.0316 228 HIS o CG ? ? 1 +45894 N ND1 . HIS AG 225 0.3239 0.9228 0.9461 0.0702 -0.0552 0.0300 228 HIS o ND1 ? ? 1 +45895 C CE1 . HIS AG 225 0.3212 0.9237 0.9472 0.0724 -0.0535 0.0290 228 HIS o CE1 ? ? 1 +45896 N NE2 . HIS AG 225 0.3217 0.9195 0.9452 0.0678 -0.0496 0.0299 228 HIS o NE2 ? ? 1 +45897 C CD2 . HIS AG 225 0.3177 0.9088 0.9360 0.0622 -0.0486 0.0315 228 HIS o CD2 ? ? 1 +45898 C C . HIS AG 225 0.3555 0.9293 0.9532 0.0714 -0.0582 0.0330 228 HIS o C ? ? 1 +45899 O O . HIS AG 225 0.3784 0.9443 0.9684 0.0768 -0.0588 0.0330 228 HIS o O ? ? 1 +45900 N N . GLU AG 226 0.3569 0.9408 0.9621 0.0722 -0.0615 0.0319 229 GLU o N ? ? 1 +45901 C CA . GLU AG 226 0.3697 0.9568 0.9753 0.0798 -0.0663 0.0305 229 GLU o CA ? ? 1 +45902 C CB . GLU AG 226 0.3887 0.9838 0.9998 0.0793 -0.0699 0.0296 229 GLU o CB ? ? 1 +45903 C CG . GLU AG 226 0.4175 1.0020 1.0184 0.0765 -0.0701 0.0314 229 GLU o CG ? ? 1 +45904 C CD . GLU AG 226 0.4583 1.0267 1.0430 0.0815 -0.0711 0.0327 229 GLU o CD ? ? 1 +45905 O OE1 . GLU AG 226 0.4618 1.0302 1.0442 0.0890 -0.0751 0.0317 229 GLU o OE1 ? ? 1 +45906 O OE2 . GLU AG 226 0.5005 1.0561 1.0747 0.0779 -0.0680 0.0348 229 GLU o OE2 ? ? 1 +45907 C C . GLU AG 226 0.3457 0.9436 0.9612 0.0837 -0.0665 0.0285 229 GLU o C ? ? 1 +45908 O O . GLU AG 226 0.3347 0.9430 0.9612 0.0796 -0.0642 0.0278 229 GLU o O ? ? 1 +45909 N N . PRO AG 227 0.3421 0.9379 0.9541 0.0917 -0.0693 0.0275 230 PRO o N ? ? 1 +45910 C CA . PRO AG 227 0.3301 0.9376 0.9526 0.0959 -0.0699 0.0253 230 PRO o CA ? ? 1 +45911 C CB . PRO AG 227 0.3459 0.9445 0.9586 0.1047 -0.0724 0.0251 230 PRO o CB ? ? 1 +45912 C CG . PRO AG 227 0.3583 0.9455 0.9589 0.1062 -0.0754 0.0265 230 PRO o CG ? ? 1 +45913 C CD . PRO AG 227 0.3546 0.9365 0.9521 0.0974 -0.0720 0.0285 230 PRO o CD ? ? 1 +45914 C C . PRO AG 227 0.3129 0.9370 0.9494 0.0960 -0.0731 0.0232 230 PRO o C ? ? 1 +45915 O O . PRO AG 227 0.3033 0.9281 0.9393 0.0946 -0.0758 0.0233 230 PRO o O ? ? 1 +45916 N N . HIS AG 228 0.3074 0.9445 0.9562 0.0976 -0.0725 0.0211 231 HIS o N ? ? 1 +45917 C CA . HIS AG 228 0.3020 0.9550 0.9643 0.0992 -0.0758 0.0186 231 HIS o CA ? ? 1 +45918 C CB . HIS AG 228 0.2945 0.9610 0.9711 0.0946 -0.0722 0.0174 231 HIS o CB ? ? 1 +45919 C CG . HIS AG 228 0.2883 0.9550 0.9670 0.0856 -0.0688 0.0189 231 HIS o CG ? ? 1 +45920 N ND1 . HIS AG 228 0.2967 0.9512 0.9655 0.0815 -0.0652 0.0214 231 HIS o ND1 ? ? 1 +45921 C CE1 . HIS AG 228 0.2871 0.9457 0.9612 0.0742 -0.0631 0.0221 231 HIS o CE1 ? ? 1 +45922 N NE2 . HIS AG 228 0.2809 0.9529 0.9669 0.0733 -0.0650 0.0203 231 HIS o NE2 ? ? 1 +45923 C CD2 . HIS AG 228 0.2799 0.9574 0.9693 0.0803 -0.0686 0.0182 231 HIS o CD2 ? ? 1 +45924 C C . HIS AG 228 0.3069 0.9622 0.9691 0.1087 -0.0800 0.0166 231 HIS o C ? ? 1 +45925 O O . HIS AG 228 0.3121 0.9593 0.9668 0.1136 -0.0790 0.0170 231 HIS o O ? ? 1 +45926 N N . GLU AG 229 0.3112 0.9774 0.9818 0.1115 -0.0847 0.0144 232 GLU o N ? ? 1 +45927 C CA . GLU AG 229 0.3213 0.9940 0.9958 0.1203 -0.0886 0.0119 232 GLU o CA ? ? 1 +45928 C CB . GLU AG 229 0.3393 1.0187 1.0175 0.1235 -0.0951 0.0099 232 GLU o CB ? ? 1 +45929 C CG . GLU AG 229 0.3680 1.0325 1.0306 0.1251 -0.0982 0.0119 232 GLU o CG ? ? 1 +45930 C CD . GLU AG 229 0.3940 1.0655 1.0602 0.1285 -0.1049 0.0097 232 GLU o CD ? ? 1 +45931 O OE1 . GLU AG 229 0.4161 1.0966 1.0889 0.1356 -0.1091 0.0069 232 GLU o OE1 ? ? 1 +45932 O OE2 . GLU AG 229 0.4038 1.0724 1.0669 0.1239 -0.1060 0.0106 232 GLU o OE2 ? ? 1 +45933 C C . GLU AG 229 0.3019 0.9894 0.9914 0.1200 -0.0858 0.0097 232 GLU o C ? ? 1 +45934 O O . GLU AG 229 0.2841 0.9826 0.9853 0.1136 -0.0836 0.0090 232 GLU o O ? ? 1 +45935 N N . VAL AG 230 0.3032 0.9903 0.9918 0.1269 -0.0857 0.0087 233 VAL o N ? ? 1 +45936 C CA . VAL AG 230 0.2934 0.9942 0.9956 0.1276 -0.0829 0.0065 233 VAL o CA ? ? 1 +45937 C CB . VAL AG 230 0.2915 0.9841 0.9879 0.1267 -0.0771 0.0081 233 VAL o CB ? ? 1 +45938 C CG1 . VAL AG 230 0.2846 0.9916 0.9952 0.1264 -0.0735 0.0059 233 VAL o CG1 ? ? 1 +45939 C CG2 . VAL AG 230 0.2869 0.9691 0.9755 0.1182 -0.0732 0.0111 233 VAL o CG2 ? ? 1 +45940 C C . VAL AG 230 0.2940 1.0045 1.0030 0.1367 -0.0875 0.0033 233 VAL o C ? ? 1 +45941 O O . VAL AG 230 0.2937 0.9953 0.9926 0.1443 -0.0913 0.0034 233 VAL o O ? ? 1 +45942 N N . LYS AG 231 0.2947 1.0236 1.0212 0.1357 -0.0873 0.0004 234 LYS o N ? ? 1 +45943 C CA . LYS AG 231 0.3091 1.0502 1.0453 0.1438 -0.0910 -0.0031 234 LYS o CA ? ? 1 +45944 C CB . LYS AG 231 0.3169 1.0736 1.0668 0.1423 -0.0953 -0.0059 234 LYS o CB ? ? 1 +45945 C CG . LYS AG 231 0.3414 1.1116 1.1020 0.1506 -0.0997 -0.0099 234 LYS o CG ? ? 1 +45946 C CD . LYS AG 231 0.3527 1.1396 1.1282 0.1484 -0.1042 -0.0131 234 LYS o CD ? ? 1 +45947 C CE . LYS AG 231 0.3647 1.1445 1.1318 0.1479 -0.1100 -0.0123 234 LYS o CE ? ? 1 +45948 N NZ . LYS AG 231 0.3816 1.1566 1.1407 0.1584 -0.1171 -0.0134 234 LYS o NZ ? ? 1 +45949 C C . LYS AG 231 0.2984 1.0477 1.0435 0.1443 -0.0857 -0.0043 234 LYS o C ? ? 1 +45950 O O . LYS AG 231 0.2923 1.0487 1.0460 0.1370 -0.0808 -0.0042 234 LYS o O ? ? 1 +45951 N N . ILE AG 232 0.2998 1.0472 1.0420 0.1531 -0.0865 -0.0055 235 ILE o N ? ? 1 +45952 C CA . ILE AG 232 0.2941 1.0479 1.0432 0.1546 -0.0814 -0.0067 235 ILE o CA ? ? 1 +45953 C CB . ILE AG 232 0.3044 1.0408 1.0376 0.1580 -0.0786 -0.0043 235 ILE o CB ? ? 1 +45954 C CG1 . ILE AG 232 0.3063 1.0268 1.0264 0.1502 -0.0757 -0.0004 235 ILE o CG1 ? ? 1 +45955 C CG2 . ILE AG 232 0.3003 1.0428 1.0401 0.1598 -0.0732 -0.0056 235 ILE o CG2 ? ? 1 +45956 C CD1 . ILE AG 232 0.3194 1.0206 1.0210 0.1543 -0.0770 0.0019 235 ILE o CD1 ? ? 1 +45957 C C . ILE AG 232 0.2939 1.0639 1.0566 0.1622 -0.0846 -0.0108 235 ILE o C ? ? 1 +45958 O O . ILE AG 232 0.3035 1.0710 1.0617 0.1707 -0.0902 -0.0119 235 ILE o O ? ? 1 +45959 N N . GLN AG 233 0.2843 1.0706 1.0634 0.1591 -0.0807 -0.0130 236 GLN o N ? ? 1 +45960 C CA . GLN AG 233 0.2802 1.0836 1.0742 0.1656 -0.0825 -0.0172 236 GLN o CA ? ? 1 +45961 C CB . GLN AG 233 0.2778 1.1003 1.0902 0.1603 -0.0836 -0.0199 236 GLN o CB ? ? 1 +45962 C CG . GLN AG 233 0.2884 1.1096 1.0983 0.1601 -0.0908 -0.0201 236 GLN o CG ? ? 1 +45963 C CD . GLN AG 233 0.2895 1.1236 1.1128 0.1517 -0.0908 -0.0214 236 GLN o CD ? ? 1 +45964 O OE1 . GLN AG 233 0.2881 1.1250 1.1164 0.1432 -0.0848 -0.0203 236 GLN o OE1 ? ? 1 +45965 N NE2 . GLN AG 233 0.3000 1.1416 1.1287 0.1539 -0.0976 -0.0238 236 GLN o NE2 ? ? 1 +45966 C C . GLN AG 233 0.2690 1.0747 1.0660 0.1673 -0.0760 -0.0177 236 GLN o C ? ? 1 +45967 O O . GLN AG 233 0.2644 1.0642 1.0577 0.1608 -0.0698 -0.0154 236 GLN o O ? ? 1 +45968 N N . GLY AG 234 0.2638 1.0773 1.0667 0.1765 -0.0778 -0.0207 237 GLY o N ? ? 1 +45969 C CA . GLY AG 234 0.2588 1.0758 1.0655 0.1793 -0.0719 -0.0217 237 GLY o CA ? ? 1 +45970 C C . GLY AG 234 0.2608 1.0881 1.0753 0.1903 -0.0752 -0.0255 237 GLY o C ? ? 1 +45971 O O . GLY AG 234 0.2590 1.0948 1.0798 0.1949 -0.0818 -0.0279 237 GLY o O ? ? 1 +45972 N N . VAL AG 235 0.2620 1.0881 1.0755 0.1947 -0.0704 -0.0260 238 VAL o N ? ? 1 +45973 C CA . VAL AG 235 0.2690 1.1032 1.0884 0.2058 -0.0728 -0.0294 238 VAL o CA ? ? 1 +45974 C CB . VAL AG 235 0.2630 1.1151 1.0999 0.2051 -0.0666 -0.0325 238 VAL o CB ? ? 1 +45975 C CG1 . VAL AG 235 0.2496 1.1198 1.1046 0.1965 -0.0657 -0.0342 238 VAL o CG1 ? ? 1 +45976 C CG2 . VAL AG 235 0.2642 1.1064 1.0932 0.2019 -0.0583 -0.0302 238 VAL o CG2 ? ? 1 +45977 C C . VAL AG 235 0.2809 1.0953 1.0810 0.2135 -0.0733 -0.0274 238 VAL o C ? ? 1 +45978 O O . VAL AG 235 0.2821 1.0795 1.0676 0.2091 -0.0696 -0.0238 238 VAL o O ? ? 1 +45979 N N . PHE AG 236 0.2896 1.1064 1.0900 0.2249 -0.0780 -0.0298 239 PHE o N ? ? 1 +45980 C CA . PHE AG 236 0.3041 1.1033 1.0873 0.2333 -0.0784 -0.0284 239 PHE o CA ? ? 1 +45981 C CB . PHE AG 236 0.3131 1.0974 1.0810 0.2380 -0.0860 -0.0267 239 PHE o CB ? ? 1 +45982 C CG . PHE AG 236 0.3183 1.1134 1.0937 0.2477 -0.0940 -0.0301 239 PHE o CG ? ? 1 +45983 C CD1 . PHE AG 236 0.3302 1.1239 1.1027 0.2600 -0.0963 -0.0320 239 PHE o CD1 ? ? 1 +45984 C CD2 . PHE AG 236 0.3111 1.1183 1.0968 0.2447 -0.0992 -0.0316 239 PHE o CD2 ? ? 1 +45985 C CE1 . PHE AG 236 0.3351 1.1390 1.1145 0.2691 -0.1039 -0.0353 239 PHE o CE1 ? ? 1 +45986 C CE2 . PHE AG 236 0.3147 1.1323 1.1075 0.2536 -0.1068 -0.0349 239 PHE o CE2 ? ? 1 +45987 C CZ . PHE AG 236 0.3280 1.1436 1.1173 0.2658 -0.1093 -0.0367 239 PHE o CZ ? ? 1 +45988 C C . PHE AG 236 0.3122 1.1218 1.1041 0.2437 -0.0780 -0.0321 239 PHE o C ? ? 1 +45989 O O . PHE AG 236 0.3044 1.1349 1.1149 0.2461 -0.0796 -0.0361 239 PHE o O ? ? 1 +45990 N N . TYR AG 237 0.3274 1.1218 1.1051 0.2497 -0.0757 -0.0309 240 TYR o N ? ? 1 +45991 C CA . TYR AG 237 0.3409 1.1402 1.1220 0.2611 -0.0757 -0.0339 240 TYR o CA ? ? 1 +45992 C CB . TYR AG 237 0.3331 1.1376 1.1204 0.2584 -0.0667 -0.0347 240 TYR o CB ? ? 1 +45993 C CG . TYR AG 237 0.3432 1.1455 1.1276 0.2695 -0.0651 -0.0366 240 TYR o CG ? ? 1 +45994 C CD1 . TYR AG 237 0.3550 1.1347 1.1187 0.2733 -0.0637 -0.0341 240 TYR o CD1 ? ? 1 +45995 C CD2 . TYR AG 237 0.3396 1.1626 1.1421 0.2763 -0.0651 -0.0413 240 TYR o CD2 ? ? 1 +45996 C CE1 . TYR AG 237 0.3655 1.1425 1.1260 0.2838 -0.0622 -0.0360 240 TYR o CE1 ? ? 1 +45997 C CE2 . TYR AG 237 0.3496 1.1706 1.1495 0.2869 -0.0635 -0.0432 240 TYR o CE2 ? ? 1 +45998 C CZ . TYR AG 237 0.3620 1.1597 1.1406 0.2907 -0.0622 -0.0405 240 TYR o CZ ? ? 1 +45999 O OH . TYR AG 237 0.3725 1.1671 1.1476 0.3012 -0.0606 -0.0423 240 TYR o OH ? ? 1 +46000 C C . TYR AG 237 0.3656 1.1428 1.1252 0.2699 -0.0794 -0.0320 240 TYR o C ? ? 1 +46001 O O . TYR AG 237 0.3689 1.1257 1.1108 0.2656 -0.0777 -0.0281 240 TYR o O ? ? 1 +46002 N N . ALA AG 238 0.3862 1.1678 1.1479 0.2821 -0.0846 -0.0348 241 ALA o N ? ? 1 +46003 C CA . ALA AG 238 0.4138 1.1751 1.1558 0.2918 -0.0878 -0.0333 241 ALA o CA ? ? 1 +46004 C CB . ALA AG 238 0.4215 1.1745 1.1541 0.2948 -0.0963 -0.0321 241 ALA o CB ? ? 1 +46005 C C . ALA AG 238 0.4320 1.2015 1.1803 0.3043 -0.0881 -0.0371 241 ALA o C ? ? 1 +46006 O O . ALA AG 238 0.4230 1.2151 1.1912 0.3076 -0.0897 -0.0412 241 ALA o O ? ? 1 +46007 N N . SER AG 239 0.4610 1.2122 1.1927 0.3108 -0.0862 -0.0357 242 SER o N ? ? 1 +46008 C CA . SER AG 239 0.4901 1.2447 1.2236 0.3243 -0.0878 -0.0389 242 SER o CA ? ? 1 +46009 C CB . SER AG 239 0.4979 1.2489 1.2294 0.3251 -0.0795 -0.0392 242 SER o CB ? ? 1 +46010 O OG . SER AG 239 0.5147 1.2401 1.2243 0.3211 -0.0762 -0.0350 242 SER o OG ? ? 1 +46011 C C . SER AG 239 0.5186 1.2538 1.2327 0.3343 -0.0947 -0.0374 242 SER o C ? ? 1 +46012 O O . SER AG 239 0.5318 1.2429 1.2247 0.3320 -0.0938 -0.0335 242 SER o O ? ? 1 +46013 N N . ILE AG 240 0.5334 1.2795 1.2551 0.3451 -0.1018 -0.0406 243 ILE o N ? ? 1 +46014 C CA . ILE AG 240 0.5618 1.2917 1.2666 0.3564 -0.1088 -0.0399 243 ILE o CA ? ? 1 +46015 C CB . ILE AG 240 0.5596 1.3034 1.2743 0.3616 -0.1182 -0.0424 243 ILE o CB ? ? 1 +46016 C CG1 . ILE AG 240 0.5462 1.2975 1.2681 0.3492 -0.1194 -0.0411 243 ILE o CG1 ? ? 1 +46017 C CG2 . ILE AG 240 0.5795 1.3042 1.2744 0.3731 -0.1258 -0.0411 243 ILE o CG2 ? ? 1 +46018 C CD1 . ILE AG 240 0.5404 1.3132 1.2796 0.3527 -0.1270 -0.0448 243 ILE o CD1 ? ? 1 +46019 C C . ILE AG 240 0.5825 1.3092 1.2841 0.3686 -0.1072 -0.0420 243 ILE o C ? ? 1 +46020 O O . ILE AG 240 0.5718 1.3179 1.2912 0.3710 -0.1038 -0.0457 243 ILE o O ? ? 1 +46021 N N . GLU AG 241 0.6186 1.3206 1.2972 0.3760 -0.1093 -0.0396 244 GLU o N ? ? 1 +46022 C CA . GLU AG 241 0.6505 1.3477 1.3241 0.3894 -0.1094 -0.0417 244 GLU o CA ? ? 1 +46023 C CB . GLU AG 241 0.6617 1.3507 1.3303 0.3859 -0.0999 -0.0408 244 GLU o CB ? ? 1 +46024 C CG . GLU AG 241 0.6878 1.3470 1.3311 0.3803 -0.0968 -0.0359 244 GLU o CG ? ? 1 +46025 C CD . GLU AG 241 0.7012 1.3547 1.3420 0.3733 -0.0874 -0.0349 244 GLU o CD ? ? 1 +46026 O OE1 . GLU AG 241 0.7034 1.3762 1.3620 0.3725 -0.0827 -0.0380 244 GLU o OE1 ? ? 1 +46027 O OE2 . GLU AG 241 0.7329 1.3627 1.3538 0.3683 -0.0846 -0.0312 244 GLU o OE2 ? ? 1 +46028 C C . GLU AG 241 0.6795 1.3533 1.3301 0.3993 -0.1159 -0.0396 244 GLU o C ? ? 1 +46029 O O . GLU AG 241 0.6773 1.3319 1.3108 0.3937 -0.1173 -0.0355 244 GLU o O ? ? 1 +46030 N N . PRO AG 242 0.7072 1.3821 1.3569 0.4145 -0.1203 -0.0424 245 PRO o N ? ? 1 +46031 C CA . PRO AG 242 0.7387 1.3904 1.3657 0.4247 -0.1266 -0.0404 245 PRO o CA ? ? 1 +46032 C CB . PRO AG 242 0.7423 1.4073 1.3789 0.4407 -0.1315 -0.0451 245 PRO o CB ? ? 1 +46033 C CG . PRO AG 242 0.7267 1.4127 1.3839 0.4391 -0.1247 -0.0486 245 PRO o CG ? ? 1 +46034 C CD . PRO AG 242 0.7050 1.4034 1.3753 0.4226 -0.1195 -0.0476 245 PRO o CD ? ? 1 +46035 C C . PRO AG 242 0.7692 1.3911 1.3715 0.4232 -0.1212 -0.0365 245 PRO o C ? ? 1 +46036 O O . PRO AG 242 0.7626 1.3838 1.3662 0.4221 -0.1140 -0.0371 245 PRO o O ? ? 1 +46037 N N . ALA AG 243 0.8177 1.4151 1.3973 0.4229 -0.1246 -0.0325 246 ALA o N ? ? 1 +46038 C CA . ALA AG 243 0.8654 1.4329 1.4203 0.4207 -0.1201 -0.0286 246 ALA o CA ? ? 1 +46039 C CB . ALA AG 243 0.8640 1.4139 1.4034 0.4114 -0.1214 -0.0240 246 ALA o CB ? ? 1 +46040 C C . ALA AG 243 0.9348 1.4841 1.4724 0.4360 -0.1228 -0.0289 246 ALA o C ? ? 1 +46041 O O . ALA AG 243 0.9434 1.5036 1.4881 0.4489 -0.1287 -0.0322 246 ALA o O ? ? 1 +46042 O OXT . ALA AG 243 0.9916 1.5154 1.5082 0.4353 -0.1189 -0.0261 246 ALA o OXT ? ? 1 +46043 N N . FME AH 1 0.2117 0.8745 0.9098 -0.0205 -0.0238 0.0390 1 FME t N ? ? 1 +46044 C CN . FME AH 1 0.2102 0.8752 0.9096 -0.0185 -0.0228 0.0387 1 FME t CN ? ? 1 +46045 O O1 . FME AH 1 0.2091 0.8754 0.9089 -0.0185 -0.0213 0.0389 1 FME t O1 ? ? 1 +46046 C CA . FME AH 1 0.2123 0.8748 0.9102 -0.0226 -0.0235 0.0395 1 FME t CA ? ? 1 +46047 C CB . FME AH 1 0.2353 0.8969 0.9335 -0.0245 -0.0247 0.0396 1 FME t CB ? ? 1 +46048 C CG . FME AH 1 0.2731 0.9303 0.9673 -0.0251 -0.0252 0.0392 1 FME t CG ? ? 1 +46049 S SD . FME AH 1 0.3415 0.9980 1.0365 -0.0268 -0.0262 0.0392 1 FME t SD ? ? 1 +46050 C CE . FME AH 1 0.3743 1.0264 1.0653 -0.0283 -0.0262 0.0386 1 FME t CE ? ? 1 +46051 C C . FME AH 1 0.1848 0.8438 0.8782 -0.0225 -0.0229 0.0393 1 FME t C ? ? 1 +46052 O O . FME AH 1 0.1760 0.8358 0.8694 -0.0230 -0.0221 0.0397 1 FME t O ? ? 1 +46053 N N . GLU AH 2 0.1623 0.8180 0.8523 -0.0210 -0.0230 0.0388 2 GLU t N ? ? 1 +46054 C CA . GLU AH 2 0.1597 0.8121 0.8454 -0.0209 -0.0225 0.0384 2 GLU t CA ? ? 1 +46055 C CB . GLU AH 2 0.1753 0.8223 0.8563 -0.0207 -0.0231 0.0377 2 GLU t CB ? ? 1 +46056 C CG . GLU AH 2 0.1879 0.8331 0.8674 -0.0181 -0.0230 0.0374 2 GLU t CG ? ? 1 +46057 C CD . GLU AH 2 0.2023 0.8491 0.8843 -0.0177 -0.0239 0.0376 2 GLU t CD ? ? 1 +46058 O OE1 . GLU AH 2 0.2043 0.8543 0.8900 -0.0194 -0.0244 0.0380 2 GLU t OE1 ? ? 1 +46059 O OE2 . GLU AH 2 0.2361 0.8807 0.9160 -0.0154 -0.0242 0.0373 2 GLU t OE2 ? ? 1 +46060 C C . GLU AH 2 0.1449 0.7985 0.8303 -0.0191 -0.0209 0.0385 2 GLU t C ? ? 1 +46061 O O . GLU AH 2 0.1390 0.7917 0.8223 -0.0195 -0.0202 0.0386 2 GLU t O ? ? 1 +46062 N N . THR AH 3 0.1334 0.7896 0.8212 -0.0170 -0.0202 0.0383 3 THR t N ? ? 1 +46063 C CA . THR AH 3 0.1279 0.7863 0.8166 -0.0153 -0.0183 0.0383 3 THR t CA ? ? 1 +46064 C CB . THR AH 3 0.1310 0.7932 0.8235 -0.0130 -0.0181 0.0378 3 THR t CB ? ? 1 +46065 O OG1 . THR AH 3 0.1383 0.7967 0.8275 -0.0112 -0.0194 0.0372 3 THR t OG1 ? ? 1 +46066 C CG2 . THR AH 3 0.1324 0.7974 0.8263 -0.0112 -0.0158 0.0375 3 THR t CG2 ? ? 1 +46067 C C . THR AH 3 0.1168 0.7782 0.8079 -0.0171 -0.0171 0.0390 3 THR t C ? ? 1 +46068 O O . THR AH 3 0.1171 0.7774 0.8057 -0.0168 -0.0156 0.0392 3 THR t O ? ? 1 +46069 N N . ILE AH 4 0.1080 0.7725 0.8034 -0.0188 -0.0178 0.0395 4 ILE t N ? ? 1 +46070 C CA . ILE AH 4 0.1038 0.7701 0.8010 -0.0205 -0.0167 0.0404 4 ILE t CA ? ? 1 +46071 C CB . ILE AH 4 0.1041 0.7733 0.8059 -0.0222 -0.0178 0.0407 4 ILE t CB ? ? 1 +46072 C CG1 . ILE AH 4 0.1039 0.7777 0.8109 -0.0213 -0.0176 0.0401 4 ILE t CG1 ? ? 1 +46073 C CG2 . ILE AH 4 0.1060 0.7757 0.8086 -0.0241 -0.0170 0.0417 4 ILE t CG2 ? ? 1 +46074 C CD1 . ILE AH 4 0.1001 0.7758 0.8106 -0.0225 -0.0193 0.0401 4 ILE t CD1 ? ? 1 +46075 C C . ILE AH 4 0.0999 0.7624 0.7923 -0.0214 -0.0169 0.0408 4 ILE t C ? ? 1 +46076 O O . ILE AH 4 0.0995 0.7617 0.7903 -0.0215 -0.0153 0.0413 4 ILE t O ? ? 1 +46077 N N . THR AH 5 0.0942 0.7538 0.7842 -0.0222 -0.0189 0.0404 5 THR t N ? ? 1 +46078 C CA . THR AH 5 0.0927 0.7491 0.7786 -0.0230 -0.0197 0.0405 5 THR t CA ? ? 1 +46079 C CB . THR AH 5 0.0907 0.7447 0.7753 -0.0240 -0.0218 0.0398 5 THR t CB ? ? 1 +46080 O OG1 . THR AH 5 0.0842 0.7405 0.7728 -0.0252 -0.0227 0.0400 5 THR t OG1 ? ? 1 +46081 C CG2 . THR AH 5 0.0930 0.7446 0.7742 -0.0249 -0.0229 0.0395 5 THR t CG2 ? ? 1 +46082 C C . THR AH 5 0.0961 0.7497 0.7772 -0.0216 -0.0185 0.0402 5 THR t C ? ? 1 +46083 O O . THR AH 5 0.0976 0.7500 0.7761 -0.0218 -0.0180 0.0406 5 THR t O ? ? 1 +46084 N N . TYR AH 6 0.0987 0.7507 0.7781 -0.0200 -0.0181 0.0394 6 TYR t N ? ? 1 +46085 C CA . TYR AH 6 0.1047 0.7536 0.7791 -0.0184 -0.0169 0.0389 6 TYR t CA ? ? 1 +46086 C CB . TYR AH 6 0.1070 0.7538 0.7796 -0.0165 -0.0167 0.0380 6 TYR t CB ? ? 1 +46087 C CG . TYR AH 6 0.1064 0.7501 0.7775 -0.0172 -0.0188 0.0373 6 TYR t CG ? ? 1 +46088 C CD1 . TYR AH 6 0.1076 0.7486 0.7762 -0.0193 -0.0204 0.0369 6 TYR t CD1 ? ? 1 +46089 C CD2 . TYR AH 6 0.1055 0.7488 0.7774 -0.0159 -0.0189 0.0369 6 TYR t CD2 ? ? 1 +46090 C CE1 . TYR AH 6 0.1078 0.7458 0.7752 -0.0204 -0.0218 0.0361 6 TYR t CE1 ? ? 1 +46091 C CE2 . TYR AH 6 0.1077 0.7473 0.7775 -0.0167 -0.0204 0.0364 6 TYR t CE2 ? ? 1 +46092 C CZ . TYR AH 6 0.1085 0.7455 0.7762 -0.0192 -0.0216 0.0360 6 TYR t CZ ? ? 1 +46093 O OH . TYR AH 6 0.1114 0.7448 0.7773 -0.0203 -0.0226 0.0354 6 TYR t OH ? ? 1 +46094 C C . TYR AH 6 0.1067 0.7576 0.7816 -0.0176 -0.0143 0.0396 6 TYR t C ? ? 1 +46095 O O . TYR AH 6 0.1113 0.7595 0.7815 -0.0171 -0.0135 0.0397 6 TYR t O ? ? 1 +46096 N N . VAL AH 7 0.1049 0.7605 0.7852 -0.0174 -0.0130 0.0400 7 VAL t N ? ? 1 +46097 C CA . VAL AH 7 0.1086 0.7664 0.7900 -0.0169 -0.0100 0.0406 7 VAL t CA ? ? 1 +46098 C CB . VAL AH 7 0.1040 0.7676 0.7923 -0.0163 -0.0086 0.0404 7 VAL t CB ? ? 1 +46099 C CG1 . VAL AH 7 0.1054 0.7716 0.7953 -0.0162 -0.0051 0.0409 7 VAL t CG1 ? ? 1 +46100 C CG2 . VAL AH 7 0.1044 0.7682 0.7930 -0.0139 -0.0092 0.0393 7 VAL t CG2 ? ? 1 +46101 C C . VAL AH 7 0.1115 0.7687 0.7920 -0.0187 -0.0097 0.0418 7 VAL t C ? ? 1 +46102 O O . VAL AH 7 0.1162 0.7719 0.7935 -0.0184 -0.0075 0.0423 7 VAL t O ? ? 1 +46103 N N . PHE AH 8 0.1108 0.7687 0.7936 -0.0205 -0.0118 0.0422 8 PHE t N ? ? 1 +46104 C CA . PHE AH 8 0.1155 0.7723 0.7970 -0.0219 -0.0119 0.0432 8 PHE t CA ? ? 1 +46105 C CB . PHE AH 8 0.1153 0.7732 0.7999 -0.0235 -0.0144 0.0433 8 PHE t CB ? ? 1 +46106 C CG . PHE AH 8 0.1199 0.7760 0.8025 -0.0245 -0.0151 0.0443 8 PHE t CG ? ? 1 +46107 C CD1 . PHE AH 8 0.1227 0.7794 0.8063 -0.0252 -0.0131 0.0454 8 PHE t CD1 ? ? 1 +46108 C CD2 . PHE AH 8 0.1255 0.7793 0.8053 -0.0247 -0.0177 0.0439 8 PHE t CD2 ? ? 1 +46109 C CE1 . PHE AH 8 0.1280 0.7823 0.8090 -0.0258 -0.0138 0.0464 8 PHE t CE1 ? ? 1 +46110 C CE2 . PHE AH 8 0.1268 0.7789 0.8046 -0.0251 -0.0186 0.0447 8 PHE t CE2 ? ? 1 +46111 C CZ . PHE AH 8 0.1289 0.7810 0.8070 -0.0255 -0.0167 0.0460 8 PHE t CZ ? ? 1 +46112 C C . PHE AH 8 0.1186 0.7705 0.7929 -0.0213 -0.0124 0.0433 8 PHE t C ? ? 1 +46113 O O . PHE AH 8 0.1241 0.7743 0.7953 -0.0213 -0.0108 0.0442 8 PHE t O ? ? 1 +46114 N N . ILE AH 9 0.1184 0.7679 0.7898 -0.0209 -0.0146 0.0422 9 ILE t N ? ? 1 +46115 C CA . ILE AH 9 0.1227 0.7678 0.7875 -0.0204 -0.0157 0.0419 9 ILE t CA ? ? 1 +46116 C CB . ILE AH 9 0.1216 0.7647 0.7849 -0.0208 -0.0185 0.0405 9 ILE t CB ? ? 1 +46117 C CG1 . ILE AH 9 0.1167 0.7622 0.7845 -0.0225 -0.0207 0.0404 9 ILE t CG1 ? ? 1 +46118 C CG2 . ILE AH 9 0.1274 0.7663 0.7840 -0.0202 -0.0197 0.0398 9 ILE t CG2 ? ? 1 +46119 C CD1 . ILE AH 9 0.1174 0.7614 0.7848 -0.0232 -0.0229 0.0389 9 ILE t CD1 ? ? 1 +46120 C C . ILE AH 9 0.1261 0.7687 0.7860 -0.0188 -0.0131 0.0420 9 ILE t C ? ? 1 +46121 O O . ILE AH 9 0.1283 0.7679 0.7831 -0.0184 -0.0126 0.0426 9 ILE t O ? ? 1 +46122 N N . PHE AH 10 0.1276 0.7712 0.7886 -0.0175 -0.0114 0.0414 10 PHE t N ? ? 1 +46123 C CA . PHE AH 10 0.1331 0.7752 0.7905 -0.0158 -0.0082 0.0414 10 PHE t CA ? ? 1 +46124 C CB . PHE AH 10 0.1328 0.7775 0.7937 -0.0143 -0.0068 0.0406 10 PHE t CB ? ? 1 +46125 C CG . PHE AH 10 0.1412 0.7852 0.7994 -0.0123 -0.0033 0.0404 10 PHE t CG ? ? 1 +46126 C CD1 . PHE AH 10 0.1492 0.7880 0.8000 -0.0107 -0.0031 0.0396 10 PHE t CD1 ? ? 1 +46127 C CD2 . PHE AH 10 0.1394 0.7882 0.8028 -0.0121 0.0000 0.0410 10 PHE t CD2 ? ? 1 +46128 C CE1 . PHE AH 10 0.1557 0.7939 0.8040 -0.0087 0.0004 0.0394 10 PHE t CE1 ? ? 1 +46129 C CE2 . PHE AH 10 0.1447 0.7933 0.8061 -0.0103 0.0036 0.0407 10 PHE t CE2 ? ? 1 +46130 C CZ . PHE AH 10 0.1520 0.7953 0.8058 -0.0085 0.0039 0.0400 10 PHE t CZ ? ? 1 +46131 C C . PHE AH 10 0.1320 0.7751 0.7897 -0.0163 -0.0054 0.0428 10 PHE t C ? ? 1 +46132 O O . PHE AH 10 0.1382 0.7775 0.7896 -0.0155 -0.0039 0.0433 10 PHE t O ? ? 1 +46133 N N . ALA AH 11 0.1263 0.7738 0.7906 -0.0177 -0.0047 0.0436 11 ALA t N ? ? 1 +46134 C CA . ALA AH 11 0.1284 0.7768 0.7934 -0.0185 -0.0016 0.0450 11 ALA t CA ? ? 1 +46135 C CB . ALA AH 11 0.1222 0.7759 0.7955 -0.0202 -0.0014 0.0453 11 ALA t CB ? ? 1 +46136 C C . ALA AH 11 0.1341 0.7778 0.7930 -0.0191 -0.0025 0.0461 11 ALA t C ? ? 1 +46137 O O . ALA AH 11 0.1388 0.7799 0.7936 -0.0189 0.0004 0.0471 11 ALA t O ? ? 1 +46138 N N . CYS AH 12 0.1325 0.7751 0.7909 -0.0197 -0.0063 0.0459 12 CYS t N ? ? 1 +46139 C CA . CYS AH 12 0.1371 0.7754 0.7897 -0.0197 -0.0079 0.0466 12 CYS t CA ? ? 1 +46140 C CB . CYS AH 12 0.1354 0.7744 0.7900 -0.0204 -0.0122 0.0460 12 CYS t CB ? ? 1 +46141 S SG . CYS AH 12 0.1329 0.7766 0.7960 -0.0224 -0.0127 0.0466 12 CYS t SG ? ? 1 +46142 C C . CYS AH 12 0.1429 0.7759 0.7867 -0.0179 -0.0076 0.0463 12 CYS t C ? ? 1 +46143 O O . CYS AH 12 0.1473 0.7763 0.7852 -0.0175 -0.0067 0.0474 12 CYS t O ? ? 1 +46144 N N . ILE AH 13 0.1433 0.7758 0.7857 -0.0169 -0.0083 0.0448 13 ILE t N ? ? 1 +46145 C CA . ILE AH 13 0.1518 0.7791 0.7857 -0.0152 -0.0080 0.0443 13 ILE t CA ? ? 1 +46146 C CB . ILE AH 13 0.1539 0.7808 0.7874 -0.0144 -0.0095 0.0423 13 ILE t CB ? ? 1 +46147 C CG1 . ILE AH 13 0.1520 0.7797 0.7879 -0.0156 -0.0139 0.0413 13 ILE t CG1 ? ? 1 +46148 C CG2 . ILE AH 13 0.1635 0.7848 0.7879 -0.0125 -0.0089 0.0416 13 ILE t CG2 ? ? 1 +46149 C CD1 . ILE AH 13 0.1532 0.7800 0.7889 -0.0152 -0.0151 0.0394 13 ILE t CD1 ? ? 1 +46150 C C . ILE AH 13 0.1578 0.7835 0.7884 -0.0142 -0.0033 0.0453 13 ILE t C ? ? 1 +46151 O O . ILE AH 13 0.1667 0.7874 0.7894 -0.0133 -0.0026 0.0459 13 ILE t O ? ? 1 +46152 N N . ILE AH 14 0.1529 0.7830 0.7894 -0.0145 0.0001 0.0454 14 ILE t N ? ? 1 +46153 C CA . ILE AH 14 0.1566 0.7861 0.7911 -0.0138 0.0051 0.0462 14 ILE t CA ? ? 1 +46154 C CB . ILE AH 14 0.1523 0.7881 0.7953 -0.0141 0.0082 0.0459 14 ILE t CB ? ? 1 +46155 C CG1 . ILE AH 14 0.1496 0.7872 0.7947 -0.0125 0.0068 0.0441 14 ILE t CG1 ? ? 1 +46156 C CG2 . ILE AH 14 0.1585 0.7942 0.7999 -0.0137 0.0138 0.0466 14 ILE t CG2 ? ? 1 +46157 C CD1 . ILE AH 14 0.1569 0.7890 0.7936 -0.0103 0.0067 0.0431 14 ILE t CD1 ? ? 1 +46158 C C . ILE AH 14 0.1596 0.7865 0.7912 -0.0150 0.0065 0.0481 14 ILE t C ? ? 1 +46159 O O . ILE AH 14 0.1692 0.7914 0.7934 -0.0141 0.0091 0.0489 14 ILE t O ? ? 1 +46160 N N . ALA AH 15 0.1531 0.7826 0.7901 -0.0168 0.0048 0.0489 15 ALA t N ? ? 1 +46161 C CA . ALA AH 15 0.1571 0.7835 0.7910 -0.0178 0.0057 0.0507 15 ALA t CA ? ? 1 +46162 C CB . ALA AH 15 0.1500 0.7800 0.7909 -0.0197 0.0035 0.0511 15 ALA t CB ? ? 1 +46163 C C . ALA AH 15 0.1669 0.7862 0.7904 -0.0163 0.0035 0.0511 15 ALA t C ? ? 1 +46164 O O . ALA AH 15 0.1745 0.7889 0.7913 -0.0159 0.0061 0.0525 15 ALA t O ? ? 1 +46165 N N . LEU AH 16 0.1679 0.7866 0.7900 -0.0155 -0.0013 0.0498 16 LEU t N ? ? 1 +46166 C CA . LEU AH 16 0.1761 0.7888 0.7890 -0.0139 -0.0041 0.0497 16 LEU t CA ? ? 1 +46167 C CB . LEU AH 16 0.1721 0.7862 0.7865 -0.0136 -0.0092 0.0477 16 LEU t CB ? ? 1 +46168 C CG . LEU AH 16 0.1799 0.7889 0.7857 -0.0120 -0.0129 0.0470 16 LEU t CG ? ? 1 +46169 C CD1 . LEU AH 16 0.1832 0.7893 0.7856 -0.0117 -0.0142 0.0485 16 LEU t CD1 ? ? 1 +46170 C CD2 . LEU AH 16 0.1759 0.7873 0.7849 -0.0125 -0.0177 0.0449 16 LEU t CD2 ? ? 1 +46171 C C . LEU AH 16 0.1893 0.7966 0.7930 -0.0121 -0.0013 0.0498 16 LEU t C ? ? 1 +46172 O O . LEU AH 16 0.1953 0.7966 0.7902 -0.0109 -0.0014 0.0508 16 LEU t O ? ? 1 +46173 N N . PHE AH 17 0.1945 0.8036 0.7997 -0.0116 0.0012 0.0487 17 PHE t N ? ? 1 +46174 C CA . PHE AH 17 0.2089 0.8132 0.8059 -0.0098 0.0046 0.0488 17 PHE t CA ? ? 1 +46175 C CB . PHE AH 17 0.2096 0.8173 0.8105 -0.0093 0.0075 0.0475 17 PHE t CB ? ? 1 +46176 C CG . PHE AH 17 0.2079 0.8169 0.8105 -0.0086 0.0039 0.0453 17 PHE t CG ? ? 1 +46177 C CD1 . PHE AH 17 0.2091 0.8160 0.8093 -0.0087 -0.0015 0.0443 17 PHE t CD1 ? ? 1 +46178 C CD2 . PHE AH 17 0.2064 0.8184 0.8129 -0.0078 0.0060 0.0441 17 PHE t CD2 ? ? 1 +46179 C CE1 . PHE AH 17 0.2072 0.8148 0.8088 -0.0085 -0.0044 0.0423 17 PHE t CE1 ? ? 1 +46180 C CE2 . PHE AH 17 0.2047 0.8168 0.8119 -0.0072 0.0029 0.0422 17 PHE t CE2 ? ? 1 +46181 C CZ . PHE AH 17 0.2062 0.8159 0.8109 -0.0077 -0.0021 0.0414 17 PHE t CZ ? ? 1 +46182 C C . PHE AH 17 0.2171 0.8183 0.8102 -0.0102 0.0093 0.0509 17 PHE t C ? ? 1 +46183 O O . PHE AH 17 0.2238 0.8183 0.8066 -0.0087 0.0106 0.0516 17 PHE t O ? ? 1 +46184 N N . PHE AH 18 0.2185 0.8245 0.8198 -0.0123 0.0118 0.0520 18 PHE t N ? ? 1 +46185 C CA . PHE AH 18 0.2317 0.8353 0.8307 -0.0132 0.0168 0.0540 18 PHE t CA ? ? 1 +46186 C CB . PHE AH 18 0.2254 0.8357 0.8356 -0.0159 0.0187 0.0545 18 PHE t CB ? ? 1 +46187 C CG . PHE AH 18 0.2352 0.8431 0.8436 -0.0175 0.0241 0.0564 18 PHE t CG ? ? 1 +46188 C CD1 . PHE AH 18 0.2430 0.8514 0.8509 -0.0175 0.0301 0.0565 18 PHE t CD1 ? ? 1 +46189 C CD2 . PHE AH 18 0.2391 0.8439 0.8460 -0.0188 0.0235 0.0581 18 PHE t CD2 ? ? 1 +46190 C CE1 . PHE AH 18 0.2480 0.8541 0.8544 -0.0193 0.0355 0.0582 18 PHE t CE1 ? ? 1 +46191 C CE2 . PHE AH 18 0.2455 0.8473 0.8503 -0.0205 0.0288 0.0599 18 PHE t CE2 ? ? 1 +46192 C CZ . PHE AH 18 0.2493 0.8517 0.8539 -0.0209 0.0348 0.0600 18 PHE t CZ ? ? 1 +46193 C C . PHE AH 18 0.2444 0.8405 0.8340 -0.0126 0.0152 0.0556 18 PHE t C ? ? 1 +46194 O O . PHE AH 18 0.2541 0.8438 0.8345 -0.0117 0.0185 0.0568 18 PHE t O ? ? 1 +46195 N N . PHE AH 19 0.2458 0.8427 0.8377 -0.0129 0.0101 0.0555 19 PHE t N ? ? 1 +46196 C CA . PHE AH 19 0.2559 0.8463 0.8397 -0.0120 0.0079 0.0569 19 PHE t CA ? ? 1 +46197 C CB . PHE AH 19 0.2598 0.8533 0.8495 -0.0128 0.0030 0.0567 19 PHE t CB ? ? 1 +46198 C CG . PHE AH 19 0.2672 0.8654 0.8660 -0.0154 0.0054 0.0576 19 PHE t CG ? ? 1 +46199 C CD1 . PHE AH 19 0.2834 0.8775 0.8793 -0.0164 0.0086 0.0598 19 PHE t CD1 ? ? 1 +46200 C CD2 . PHE AH 19 0.2681 0.8742 0.8780 -0.0170 0.0047 0.0563 19 PHE t CD2 ? ? 1 +46201 C CE1 . PHE AH 19 0.2845 0.8828 0.8889 -0.0191 0.0110 0.0604 19 PHE t CE1 ? ? 1 +46202 C CE2 . PHE AH 19 0.2667 0.8771 0.8849 -0.0194 0.0068 0.0569 19 PHE t CE2 ? ? 1 +46203 C CZ . PHE AH 19 0.2742 0.8808 0.8898 -0.0206 0.0099 0.0589 19 PHE t CZ ? ? 1 +46204 C C . PHE AH 19 0.2582 0.8422 0.8308 -0.0092 0.0054 0.0562 19 PHE t C ? ? 1 +46205 O O . PHE AH 19 0.2687 0.8453 0.8311 -0.0078 0.0058 0.0576 19 PHE t O ? ? 1 +46206 N N . ALA AH 20 0.2525 0.8389 0.8264 -0.0083 0.0026 0.0540 20 ALA t N ? ? 1 +46207 C CA . ALA AH 20 0.2577 0.8385 0.8216 -0.0059 -0.0004 0.0529 20 ALA t CA ? ? 1 +46208 C CB . ALA AH 20 0.2507 0.8356 0.8190 -0.0058 -0.0041 0.0503 20 ALA t CB ? ? 1 +46209 C C . ALA AH 20 0.2690 0.8434 0.8228 -0.0044 0.0043 0.0536 20 ALA t C ? ? 1 +46210 O O . ALA AH 20 0.2775 0.8449 0.8201 -0.0021 0.0026 0.0536 20 ALA t O ? ? 1 +46211 N N . ILE AH 21 0.2698 0.8468 0.8276 -0.0055 0.0102 0.0542 21 ILE t N ? ? 1 +46212 C CA . ILE AH 21 0.2802 0.8515 0.8289 -0.0042 0.0154 0.0548 21 ILE t CA ? ? 1 +46213 C CB . ILE AH 21 0.2774 0.8541 0.8328 -0.0047 0.0199 0.0538 21 ILE t CB ? ? 1 +46214 C CG1 . ILE AH 21 0.2745 0.8527 0.8304 -0.0033 0.0161 0.0512 21 ILE t CG1 ? ? 1 +46215 C CG2 . ILE AH 21 0.2892 0.8615 0.8377 -0.0041 0.0269 0.0549 21 ILE t CG2 ? ? 1 +46216 C CD1 . ILE AH 21 0.2694 0.8542 0.8340 -0.0037 0.0192 0.0499 21 ILE t CD1 ? ? 1 +46217 C C . ILE AH 21 0.2902 0.8561 0.8332 -0.0047 0.0193 0.0576 21 ILE t C ? ? 1 +46218 O O . ILE AH 21 0.3034 0.8607 0.8339 -0.0028 0.0199 0.0585 21 ILE t O ? ? 1 +46219 N N . PHE AH 22 0.2897 0.8602 0.8415 -0.0073 0.0218 0.0588 22 PHE t N ? ? 1 +46220 C CA . PHE AH 22 0.3059 0.8714 0.8531 -0.0084 0.0267 0.0613 22 PHE t CA ? ? 1 +46221 C CB . PHE AH 22 0.2994 0.8720 0.8582 -0.0116 0.0319 0.0617 22 PHE t CB ? ? 1 +46222 C CG . PHE AH 22 0.2975 0.8747 0.8603 -0.0116 0.0362 0.0604 22 PHE t CG ? ? 1 +46223 C CD1 . PHE AH 22 0.3100 0.8820 0.8646 -0.0107 0.0420 0.0611 22 PHE t CD1 ? ? 1 +46224 C CD2 . PHE AH 22 0.2873 0.8735 0.8616 -0.0121 0.0345 0.0584 22 PHE t CD2 ? ? 1 +46225 C CE1 . PHE AH 22 0.3099 0.8864 0.8685 -0.0104 0.0461 0.0597 22 PHE t CE1 ? ? 1 +46226 C CE2 . PHE AH 22 0.2880 0.8783 0.8658 -0.0116 0.0383 0.0570 22 PHE t CE2 ? ? 1 +46227 C CZ . PHE AH 22 0.2988 0.8845 0.8690 -0.0107 0.0441 0.0576 22 PHE t CZ ? ? 1 +46228 C C . PHE AH 22 0.3165 0.8767 0.8586 -0.0080 0.0231 0.0629 22 PHE t C ? ? 1 +46229 O O . PHE AH 22 0.3296 0.8821 0.8628 -0.0078 0.0262 0.0651 22 PHE t O ? ? 1 +46230 N N . PHE AH 23 0.3206 0.8846 0.8680 -0.0078 0.0168 0.0619 23 PHE t N ? ? 1 +46231 C CA . PHE AH 23 0.3386 0.8980 0.8814 -0.0069 0.0129 0.0632 23 PHE t CA ? ? 1 +46232 C CB . PHE AH 23 0.3382 0.9039 0.8927 -0.0095 0.0120 0.0635 23 PHE t CB ? ? 1 +46233 C CG . PHE AH 23 0.3496 0.9163 0.9085 -0.0125 0.0186 0.0651 23 PHE t CG ? ? 1 +46234 C CD1 . PHE AH 23 0.3715 0.9301 0.9221 -0.0127 0.0224 0.0675 23 PHE t CD1 ? ? 1 +46235 C CD2 . PHE AH 23 0.3438 0.9193 0.9148 -0.0150 0.0211 0.0640 23 PHE t CD2 ? ? 1 +46236 C CE1 . PHE AH 23 0.3752 0.9348 0.9303 -0.0159 0.0287 0.0688 23 PHE t CE1 ? ? 1 +46237 C CE2 . PHE AH 23 0.3481 0.9252 0.9238 -0.0179 0.0270 0.0651 23 PHE t CE2 ? ? 1 +46238 C CZ . PHE AH 23 0.3622 0.9315 0.9302 -0.0185 0.0308 0.0675 23 PHE t CZ ? ? 1 +46239 C C . PHE AH 23 0.3460 0.9031 0.8830 -0.0040 0.0060 0.0616 23 PHE t C ? ? 1 +46240 O O . PHE AH 23 0.3351 0.8943 0.8755 -0.0036 0.0007 0.0612 23 PHE t O ? ? 1 +46241 N N A ARG AH 24 0.3589 0.9117 0.8871 -0.0019 0.0062 0.0607 24 ARG t N ? ? 1 +46242 N N B ARG AH 24 0.3567 0.9096 0.8851 -0.0019 0.0061 0.0607 24 ARG t N ? ? 1 +46243 C CA A ARG AH 24 0.3685 0.9183 0.8899 0.0009 -0.0001 0.0591 24 ARG t CA ? ? 1 +46244 C CA B ARG AH 24 0.3646 0.9145 0.8860 0.0009 -0.0002 0.0591 24 ARG t CA ? ? 1 +46245 C C A ARG AH 24 0.3946 0.9352 0.9036 0.0034 -0.0019 0.0609 24 ARG t C ? ? 1 +46246 C C B ARG AH 24 0.3905 0.9313 0.8999 0.0033 -0.0020 0.0609 24 ARG t C ? ? 1 +46247 O O A ARG AH 24 0.4042 0.9389 0.9075 0.0031 0.0029 0.0634 24 ARG t O ? ? 1 +46248 O O B ARG AH 24 0.3986 0.9341 0.9032 0.0029 0.0025 0.0634 24 ARG t O ? ? 1 +46249 C CB A ARG AH 24 0.3685 0.9163 0.8842 0.0022 0.0011 0.0575 24 ARG t CB ? ? 1 +46250 C CB B ARG AH 24 0.3630 0.9107 0.8785 0.0023 0.0008 0.0574 24 ARG t CB ? ? 1 +46251 C CG A ARG AH 24 0.3785 0.9177 0.8821 0.0034 0.0067 0.0592 24 ARG t CG ? ? 1 +46252 C CG B ARG AH 24 0.3717 0.9108 0.8750 0.0036 0.0063 0.0591 24 ARG t CG ? ? 1 +46253 C CD A ARG AH 24 0.3824 0.9187 0.8789 0.0053 0.0069 0.0573 24 ARG t CD ? ? 1 +46254 C CD B ARG AH 24 0.3742 0.9106 0.8707 0.0054 0.0065 0.0572 24 ARG t CD ? ? 1 +46255 N NE A ARG AH 24 0.3952 0.9226 0.8790 0.0068 0.0123 0.0590 24 ARG t NE ? ? 1 +46256 N NE B ARG AH 24 0.3862 0.9136 0.8700 0.0068 0.0120 0.0589 24 ARG t NE ? ? 1 +46257 C CZ A ARG AH 24 0.4025 0.9249 0.8771 0.0088 0.0136 0.0579 24 ARG t CZ ? ? 1 +46258 C CZ B ARG AH 24 0.3931 0.9154 0.8673 0.0089 0.0129 0.0577 24 ARG t CZ ? ? 1 +46259 N NH1 A ARG AH 24 0.3977 0.9229 0.8739 0.0096 0.0096 0.0550 24 ARG t NH1 ? ? 1 +46260 N NH1 B ARG AH 24 0.3868 0.9124 0.8634 0.0096 0.0095 0.0549 24 ARG t NH1 ? ? 1 +46261 N NH2 A ARG AH 24 0.4159 0.9302 0.8791 0.0099 0.0192 0.0597 24 ARG t NH2 ? ? 1 +46262 N NH2 B ARG AH 24 0.4077 0.9209 0.8691 0.0104 0.0176 0.0595 24 ARG t NH2 ? ? 1 +46263 N N . GLU AH 25 0.4167 0.9558 0.9215 0.0058 -0.0088 0.0594 25 GLU t N ? ? 1 +46264 C CA . GLU AH 25 0.4546 0.9843 0.9459 0.0091 -0.0113 0.0606 25 GLU t CA ? ? 1 +46265 C CB . GLU AH 25 0.4815 1.0123 0.9716 0.0115 -0.0198 0.0584 25 GLU t CB ? ? 1 +46266 C CG . GLU AH 25 0.5003 1.0365 0.9994 0.0109 -0.0238 0.0585 25 GLU t CG ? ? 1 +46267 C CD . GLU AH 25 0.5400 1.0785 1.0392 0.0132 -0.0322 0.0560 25 GLU t CD ? ? 1 +46268 O OE1 . GLU AH 25 0.5370 1.0800 1.0398 0.0127 -0.0351 0.0532 25 GLU t OE1 ? ? 1 +46269 O OE2 . GLU AH 25 0.5672 1.1033 1.0637 0.0153 -0.0357 0.0569 25 GLU t OE2 ? ? 1 +46270 C C . GLU AH 25 0.4768 0.9985 0.9554 0.0106 -0.0074 0.0610 25 GLU t C ? ? 1 +46271 O O . GLU AH 25 0.4823 1.0053 0.9599 0.0112 -0.0087 0.0588 25 GLU t O ? ? 1 +46272 N N . PRO AH 26 0.5039 1.0169 0.9724 0.0113 -0.0022 0.0639 26 PRO t N ? ? 1 +46273 C CA . PRO AH 26 0.5292 1.0346 0.9856 0.0127 0.0022 0.0643 26 PRO t CA ? ? 1 +46274 C CB . PRO AH 26 0.5357 1.0331 0.9847 0.0122 0.0087 0.0678 26 PRO t CB ? ? 1 +46275 C CG . PRO AH 26 0.5311 1.0291 0.9838 0.0120 0.0052 0.0691 26 PRO t CG ? ? 1 +46276 C CD . PRO AH 26 0.5094 1.0190 0.9772 0.0106 -0.0001 0.0667 26 PRO t CD ? ? 1 +46277 C C . PRO AH 26 0.5545 1.0535 0.9984 0.0166 -0.0038 0.0628 26 PRO t C ? ? 1 +46278 O O . PRO AH 26 0.5679 1.0632 1.0066 0.0190 -0.0091 0.0632 26 PRO t O ? ? 1 +46279 N N A PRO AH 27 0.5629 1.0605 1.0019 0.0176 -0.0035 0.0609 27 PRO t N ? ? 1 +46280 N N B PRO AH 27 0.5653 1.0632 1.0046 0.0176 -0.0036 0.0608 27 PRO t N ? ? 1 +46281 C CA A PRO AH 27 0.5856 1.0758 1.0109 0.0215 -0.0086 0.0595 27 PRO t CA ? ? 1 +46282 C CA B PRO AH 27 0.5938 1.0842 1.0194 0.0214 -0.0088 0.0594 27 PRO t CA ? ? 1 +46283 C C A PRO AH 27 0.6208 1.0979 1.0286 0.0242 -0.0057 0.0622 27 PRO t C ? ? 1 +46284 C C B PRO AH 27 0.6390 1.1166 1.0476 0.0241 -0.0059 0.0623 27 PRO t C ? ? 1 +46285 O O A PRO AH 27 0.6252 1.0977 1.0282 0.0233 0.0021 0.0642 27 PRO t O ? ? 1 +46286 O O B PRO AH 27 0.6382 1.1116 1.0432 0.0229 0.0020 0.0646 27 PRO t O ? ? 1 +46287 C CB A PRO AH 27 0.5800 1.0723 1.0059 0.0212 -0.0076 0.0569 27 PRO t CB ? ? 1 +46288 C CB B PRO AH 27 0.5855 1.0775 1.0110 0.0212 -0.0075 0.0569 27 PRO t CB ? ? 1 +46289 C CG A PRO AH 27 0.5689 1.0661 1.0037 0.0180 0.0005 0.0579 27 PRO t CG ? ? 1 +46290 C CG B PRO AH 27 0.5718 1.0688 1.0064 0.0180 0.0006 0.0580 27 PRO t CG ? ? 1 +46291 C CD A PRO AH 27 0.5532 1.0565 0.9997 0.0154 0.0014 0.0597 27 PRO t CD ? ? 1 +46292 C CD B PRO AH 27 0.5533 1.0568 1.0001 0.0153 0.0011 0.0596 27 PRO t CD ? ? 1 +46293 N N A ARG AH 28 0.6513 1.1227 1.0498 0.0276 -0.0121 0.0622 28 ARG t N ? ? 1 +46294 N N B ARG AH 28 0.6860 1.1574 1.0844 0.0277 -0.0124 0.0621 28 ARG t N ? ? 1 +46295 C CA A ARG AH 28 0.6872 1.1453 1.0680 0.0308 -0.0105 0.0648 28 ARG t CA ? ? 1 +46296 C CA B ARG AH 28 0.7354 1.1938 1.1165 0.0308 -0.0107 0.0647 28 ARG t CA ? ? 1 +46297 C C A ARG AH 28 0.7214 1.1723 1.0879 0.0350 -0.0160 0.0628 28 ARG t C ? ? 1 +46298 C C B ARG AH 28 0.7819 1.2329 1.1484 0.0350 -0.0162 0.0628 28 ARG t C ? ? 1 +46299 O O A ARG AH 28 0.7230 1.1787 1.0931 0.0362 -0.0241 0.0599 28 ARG t O ? ? 1 +46300 O O B ARG AH 28 0.7888 1.2445 1.1589 0.0363 -0.0243 0.0599 28 ARG t O ? ? 1 +46301 C CB A ARG AH 28 0.6903 1.1466 1.0713 0.0317 -0.0133 0.0669 28 ARG t CB ? ? 1 +46302 C CB B ARG AH 28 0.7443 1.2011 1.1260 0.0317 -0.0136 0.0668 28 ARG t CB ? ? 1 +46303 C CG A ARG AH 28 0.6821 1.1431 1.0746 0.0278 -0.0074 0.0693 28 ARG t CG ? ? 1 +46304 C CG B ARG AH 28 0.7420 1.2030 1.1345 0.0278 -0.0075 0.0692 28 ARG t CG ? ? 1 +46305 C CD A ARG AH 28 0.6950 1.1470 1.0784 0.0268 0.0019 0.0726 28 ARG t CD ? ? 1 +46306 C CD B ARG AH 28 0.7598 1.2114 1.1424 0.0270 0.0016 0.0726 28 ARG t CD ? ? 1 +46307 N NE A ARG AH 28 0.6849 1.1424 1.0805 0.0225 0.0075 0.0743 28 ARG t NE ? ? 1 +46308 N NE B ARG AH 28 0.7534 1.2099 1.1475 0.0228 0.0075 0.0744 28 ARG t NE ? ? 1 +46309 C CZ A ARG AH 28 0.6797 1.1418 1.0828 0.0189 0.0149 0.0745 28 ARG t CZ ? ? 1 +46310 C CZ B ARG AH 28 0.7497 1.2112 1.1519 0.0191 0.0147 0.0745 28 ARG t CZ ? ? 1 +46311 N NH1 A ARG AH 28 0.6844 1.1471 1.0852 0.0190 0.0175 0.0730 28 ARG t NH1 ? ? 1 +46312 N NH1 B ARG AH 28 0.7573 1.2196 1.1575 0.0191 0.0174 0.0730 28 ARG t NH1 ? ? 1 +46313 N NH2 A ARG AH 28 0.6704 1.1365 1.0833 0.0152 0.0197 0.0762 28 ARG t NH2 ? ? 1 +46314 N NH2 B ARG AH 28 0.7387 1.2047 1.1513 0.0154 0.0193 0.0761 28 ARG t NH2 ? ? 1 +46315 N N A ILE AH 29 0.7667 1.2060 1.1166 0.0371 -0.0115 0.0644 29 ILE t N ? ? 1 +46316 N N B ILE AH 29 0.8459 1.2853 1.1960 0.0371 -0.0116 0.0644 29 ILE t N ? ? 1 +46317 C CA A ILE AH 29 0.8066 1.2378 1.1411 0.0412 -0.0163 0.0626 29 ILE t CA ? ? 1 +46318 C CA B ILE AH 29 0.9039 1.3351 1.2385 0.0412 -0.0163 0.0626 29 ILE t CA ? ? 1 +46319 C C A ILE AH 29 0.8491 1.2720 1.1716 0.0455 -0.0223 0.0637 29 ILE t C ? ? 1 +46320 C C B ILE AH 29 0.9637 1.3871 1.2870 0.0454 -0.0225 0.0637 29 ILE t C ? ? 1 +46321 O O A ILE AH 29 0.8570 1.2732 1.1737 0.0461 -0.0189 0.0672 29 ILE t O ? ? 1 +46322 O O B ILE AH 29 0.9703 1.3878 1.2889 0.0458 -0.0192 0.0672 29 ILE t O ? ? 1 +46323 C CB A ILE AH 29 0.8152 1.2370 1.1364 0.0419 -0.0087 0.0636 29 ILE t CB ? ? 1 +46324 C CB B ILE AH 29 0.9106 1.3323 1.2316 0.0419 -0.0087 0.0637 29 ILE t CB ? ? 1 +46325 C CG1 A ILE AH 29 0.8041 1.2343 1.1376 0.0379 -0.0022 0.0627 29 ILE t CG1 ? ? 1 +46326 C CG1 B ILE AH 29 0.9016 1.3315 1.2347 0.0380 -0.0021 0.0628 29 ILE t CG1 ? ? 1 +46327 C CG2 A ILE AH 29 0.8337 1.2472 1.1388 0.0462 -0.0140 0.0614 29 ILE t CG2 ? ? 1 +46328 C CG2 B ILE AH 29 0.9339 1.3471 1.2387 0.0462 -0.0139 0.0615 29 ILE t CG2 ? ? 1 +46329 C CD1 A ILE AH 29 0.8149 1.2371 1.1364 0.0387 0.0052 0.0632 29 ILE t CD1 ? ? 1 +46330 C CD1 B ILE AH 29 0.9118 1.3336 1.2328 0.0387 0.0054 0.0633 29 ILE t CD1 ? ? 1 +46331 N N A THR AH 30 0.8837 1.3070 1.2025 0.0486 -0.0315 0.0606 30 THR t N ? ? 1 +46332 N N B THR AH 30 1.0179 1.4414 1.3370 0.0485 -0.0316 0.0607 30 THR t N ? ? 1 +46333 C CA A THR AH 30 0.9290 1.3442 1.2350 0.0535 -0.0381 0.0612 30 THR t CA ? ? 1 +46334 C CA B THR AH 30 1.0838 1.4985 1.3890 0.0536 -0.0380 0.0612 30 THR t CA ? ? 1 +46335 C C A THR AH 30 0.9484 1.3575 1.2407 0.0574 -0.0441 0.0583 30 THR t C ? ? 1 +46336 C C B THR AH 30 1.1151 1.5237 1.4068 0.0572 -0.0433 0.0583 30 THR t C ? ? 1 +46337 O O A THR AH 30 0.9391 1.3563 1.2393 0.0568 -0.0502 0.0543 30 THR t O ? ? 1 +46338 O O B THR AH 30 1.1275 1.5345 1.4157 0.0562 -0.0395 0.0571 30 THR t O ? ? 1 +46339 O OXT A THR AH 30 0.9687 1.3645 1.2419 0.0610 -0.0428 0.0599 30 THR t OXT ? ? 1 +46340 C CB A THR AH 30 0.9360 1.3603 1.2548 0.0535 -0.0453 0.0602 30 THR t CB ? ? 1 +46341 C CB B THR AH 30 1.0978 1.5205 1.4140 0.0542 -0.0457 0.0603 30 THR t CB ? ? 1 +46342 O OG1 A THR AH 30 0.9289 1.3668 1.2649 0.0503 -0.0486 0.0566 30 THR t OG1 ? ? 1 +46343 O OG1 B THR AH 30 1.0857 1.5205 1.4157 0.0524 -0.0516 0.0560 30 THR t OG1 ? ? 1 +46344 C CG2 A THR AH 30 0.9351 1.3599 1.2600 0.0516 -0.0404 0.0639 30 THR t CG2 ? ? 1 +46345 C CG2 B THR AH 30 1.0935 1.5203 1.4207 0.0512 -0.0409 0.0633 30 THR t CG2 ? ? 1 +46346 N N . GLU AI 1 0.9510 1.3288 1.3737 0.0574 -0.0338 0.0551 8 GLU u N ? ? 1 +46347 C CA . GLU AI 1 0.9426 1.3270 1.3687 0.0660 -0.0395 0.0539 8 GLU u CA ? ? 1 +46348 C CB . GLU AI 1 0.9817 1.3837 1.4208 0.0672 -0.0438 0.0526 8 GLU u CB ? ? 1 +46349 C CG . GLU AI 1 1.0523 1.4607 1.4940 0.0765 -0.0500 0.0513 8 GLU u CG ? ? 1 +46350 C CD . GLU AI 1 1.1072 1.5363 1.5661 0.0767 -0.0537 0.0494 8 GLU u CD ? ? 1 +46351 O OE1 . GLU AI 1 1.1431 1.5784 1.6071 0.0719 -0.0531 0.0494 8 GLU u OE1 ? ? 1 +46352 O OE2 . GLU AI 1 1.1379 1.5765 1.6047 0.0817 -0.0571 0.0477 8 GLU u OE2 ? ? 1 +46353 C C . GLU AI 1 0.8556 1.2454 1.2892 0.0665 -0.0392 0.0526 8 GLU u C ? ? 1 +46354 O O . GLU AI 1 0.8585 1.2447 1.2878 0.0738 -0.0421 0.0522 8 GLU u O ? ? 1 +46355 N N . LEU AI 2 0.7394 1.1379 1.1841 0.0591 -0.0360 0.0518 9 LEU u N ? ? 1 +46356 C CA . LEU AI 2 0.6441 1.0489 1.0968 0.0586 -0.0355 0.0504 9 LEU u CA ? ? 1 +46357 C CB . LEU AI 2 0.6243 1.0463 1.0940 0.0522 -0.0344 0.0491 9 LEU u CB ? ? 1 +46358 C CG . LEU AI 2 0.6125 1.0512 1.0946 0.0543 -0.0384 0.0480 9 LEU u CG ? ? 1 +46359 C CD1 . LEU AI 2 0.5909 1.0443 1.0881 0.0479 -0.0369 0.0470 9 LEU u CD1 ? ? 1 +46360 C CD2 . LEU AI 2 0.6224 1.0667 1.1073 0.0629 -0.0431 0.0469 9 LEU u CD2 ? ? 1 +46361 C C . LEU AI 2 0.5989 0.9880 1.0409 0.0559 -0.0311 0.0511 9 LEU u C ? ? 1 +46362 O O . LEU AI 2 0.5963 0.9814 1.0375 0.0481 -0.0267 0.0516 9 LEU u O ? ? 1 +46363 N N A VAL AI 3 0.5825 0.9632 1.0169 0.0622 -0.0324 0.0510 10 VAL u N ? ? 1 +46364 N N B VAL AI 3 0.5809 0.9614 1.0150 0.0623 -0.0325 0.0511 10 VAL u N ? ? 1 +46365 C CA A VAL AI 3 0.5730 0.9382 0.9966 0.0604 -0.0287 0.0516 10 VAL u CA ? ? 1 +46366 C CA B VAL AI 3 0.5696 0.9350 0.9934 0.0606 -0.0288 0.0515 10 VAL u CA ? ? 1 +46367 C C A VAL AI 3 0.5457 0.9145 0.9734 0.0646 -0.0301 0.0500 10 VAL u C ? ? 1 +46368 C C B VAL AI 3 0.5421 0.9125 0.9712 0.0644 -0.0302 0.0499 10 VAL u C ? ? 1 +46369 O O A VAL AI 3 0.5431 0.9186 0.9741 0.0723 -0.0344 0.0493 10 VAL u O ? ? 1 +46370 O O B VAL AI 3 0.5363 0.9160 0.9712 0.0712 -0.0344 0.0489 10 VAL u O ? ? 1 +46371 C CB A VAL AI 3 0.5974 0.9420 1.0016 0.0643 -0.0282 0.0535 10 VAL u CB ? ? 1 +46372 C CB B VAL AI 3 0.5922 0.9368 0.9964 0.0650 -0.0284 0.0534 10 VAL u CB ? ? 1 +46373 C CG1 A VAL AI 3 0.6083 0.9385 1.0031 0.0565 -0.0223 0.0547 10 VAL u CG1 ? ? 1 +46374 C CG1 B VAL AI 3 0.5948 0.9341 0.9930 0.0617 -0.0270 0.0551 10 VAL u CG1 ? ? 1 +46375 C CG2 A VAL AI 3 0.5996 0.9459 1.0011 0.0685 -0.0316 0.0544 10 VAL u CG2 ? ? 1 +46376 C CG2 B VAL AI 3 0.5997 0.9430 0.9993 0.0760 -0.0336 0.0532 10 VAL u CG2 ? ? 1 +46377 N N . ASN AI 4 0.5251 0.8897 0.9527 0.0596 -0.0264 0.0494 11 ASN u N ? ? 1 +46378 C CA . ASN AI 4 0.5009 0.8649 0.9290 0.0633 -0.0269 0.0481 11 ASN u CA ? ? 1 +46379 C CB . ASN AI 4 0.4819 0.8469 0.9147 0.0557 -0.0231 0.0471 11 ASN u CB ? ? 1 +46380 C CG . ASN AI 4 0.4771 0.8387 0.9080 0.0593 -0.0231 0.0458 11 ASN u CG ? ? 1 +46381 O OD1 . ASN AI 4 0.4918 0.8401 0.9106 0.0653 -0.0237 0.0463 11 ASN u OD1 ? ? 1 +46382 N ND2 . ASN AI 4 0.4593 0.8320 0.9014 0.0559 -0.0224 0.0442 11 ASN u ND2 ? ? 1 +46383 C C . ASN AI 4 0.5062 0.8509 0.9168 0.0698 -0.0272 0.0492 11 ASN u C ? ? 1 +46384 O O . ASN AI 4 0.5173 0.8455 0.9153 0.0663 -0.0238 0.0505 11 ASN u O ? ? 1 +46385 N N . VAL AI 5 0.4948 0.8419 0.9049 0.0792 -0.0313 0.0487 12 VAL u N ? ? 1 +46386 C CA . VAL AI 5 0.5047 0.8348 0.8985 0.0870 -0.0326 0.0498 12 VAL u CA ? ? 1 +46387 C CB . VAL AI 5 0.5023 0.8412 0.8998 0.0974 -0.0384 0.0490 12 VAL u CB ? ? 1 +46388 C CG1 . VAL AI 5 0.4908 0.8414 0.8955 0.0975 -0.0414 0.0493 12 VAL u CG1 ? ? 1 +46389 C CG2 . VAL AI 5 0.4906 0.8435 0.9008 0.1003 -0.0398 0.0467 12 VAL u CG2 ? ? 1 +46390 C C . VAL AI 5 0.5119 0.8275 0.8959 0.0871 -0.0297 0.0495 12 VAL u C ? ? 1 +46391 O O . VAL AI 5 0.5310 0.8281 0.8986 0.0912 -0.0293 0.0508 12 VAL u O ? ? 1 +46392 N N . VAL AI 6 0.4981 0.8215 0.8915 0.0829 -0.0279 0.0478 13 VAL u N ? ? 1 +46393 C CA . VAL AI 6 0.5068 0.8170 0.8916 0.0824 -0.0251 0.0473 13 VAL u CA ? ? 1 +46394 C CB . VAL AI 6 0.4931 0.8162 0.8906 0.0808 -0.0248 0.0450 13 VAL u CB ? ? 1 +46395 C CG1 . VAL AI 6 0.5049 0.8135 0.8928 0.0796 -0.0217 0.0443 13 VAL u CG1 ? ? 1 +46396 C CG2 . VAL AI 6 0.4866 0.8241 0.8935 0.0894 -0.0291 0.0437 13 VAL u CG2 ? ? 1 +46397 C C . VAL AI 6 0.5163 0.8111 0.8910 0.0740 -0.0202 0.0484 13 VAL u C ? ? 1 +46398 O O . VAL AI 6 0.5362 0.8119 0.8958 0.0754 -0.0183 0.0492 13 VAL u O ? ? 1 +46399 N N . ASP AI 7 0.5023 0.8055 0.8855 0.0653 -0.0182 0.0486 14 ASP u N ? ? 1 +46400 C CA . ASP AI 7 0.5086 0.7993 0.8838 0.0569 -0.0135 0.0496 14 ASP u CA ? ? 1 +46401 C CB . ASP AI 7 0.4860 0.7908 0.8743 0.0483 -0.0121 0.0493 14 ASP u CB ? ? 1 +46402 C CG . ASP AI 7 0.4676 0.7863 0.8700 0.0438 -0.0117 0.0472 14 ASP u CG ? ? 1 +46403 O OD1 . ASP AI 7 0.4732 0.7855 0.8722 0.0434 -0.0103 0.0460 14 ASP u OD1 ? ? 1 +46404 O OD2 . ASP AI 7 0.4493 0.7851 0.8657 0.0409 -0.0128 0.0466 14 ASP u OD2 ? ? 1 +46405 C C . ASP AI 7 0.5319 0.8052 0.8906 0.0600 -0.0131 0.0520 14 ASP u C ? ? 1 +46406 O O . ASP AI 7 0.5474 0.8024 0.8927 0.0569 -0.0093 0.0529 14 ASP u O ? ? 1 +46407 N N . GLU AI 8 0.5368 0.8161 0.8967 0.0660 -0.0169 0.0529 15 GLU u N ? ? 1 +46408 C CA . GLU AI 8 0.5614 0.8253 0.9056 0.0701 -0.0172 0.0551 15 GLU u CA ? ? 1 +46409 C CB . GLU AI 8 0.5657 0.8416 0.9156 0.0762 -0.0222 0.0555 15 GLU u CB ? ? 1 +46410 C CG . GLU AI 8 0.5945 0.8572 0.9304 0.0781 -0.0221 0.0578 15 GLU u CG ? ? 1 +46411 C CD . GLU AI 8 0.6044 0.8798 0.9466 0.0833 -0.0272 0.0579 15 GLU u CD ? ? 1 +46412 O OE1 . GLU AI 8 0.6211 0.8970 0.9605 0.0931 -0.0321 0.0576 15 GLU u OE1 ? ? 1 +46413 O OE2 . GLU AI 8 0.6082 0.8940 0.9592 0.0775 -0.0264 0.0579 15 GLU u OE2 ? ? 1 +46414 C C . GLU AI 8 0.5781 0.8229 0.9057 0.0772 -0.0175 0.0557 15 GLU u C ? ? 1 +46415 O O . GLU AI 8 0.6034 0.8285 0.9145 0.0768 -0.0148 0.0576 15 GLU u O ? ? 1 +46416 N N . LYS AI 9 0.5691 0.8196 0.9013 0.0836 -0.0203 0.0541 16 LYS u N ? ? 1 +46417 C CA . LYS AI 9 0.5833 0.8174 0.9012 0.0912 -0.0210 0.0544 16 LYS u CA ? ? 1 +46418 C CB . LYS AI 9 0.5754 0.8222 0.9032 0.0984 -0.0248 0.0522 16 LYS u CB ? ? 1 +46419 C CG . LYS AI 9 0.5921 0.8269 0.9074 0.1097 -0.0277 0.0525 16 LYS u CG ? ? 1 +46420 C CD . LYS AI 9 0.5968 0.8324 0.9082 0.1173 -0.0321 0.0538 16 LYS u CD ? ? 1 +46421 C CE . LYS AI 9 0.6069 0.8404 0.9139 0.1296 -0.0366 0.0531 16 LYS u CE ? ? 1 +46422 N NZ . LYS AI 9 0.6167 0.8466 0.9161 0.1372 -0.0409 0.0545 16 LYS u NZ ? ? 1 +46423 C C . LYS AI 9 0.5921 0.8080 0.8987 0.0852 -0.0157 0.0546 16 LYS u C ? ? 1 +46424 O O . LYS AI 9 0.6094 0.8049 0.8986 0.0893 -0.0147 0.0558 16 LYS u O ? ? 1 +46425 N N . LEU AI 10 0.5786 0.8022 0.8954 0.0754 -0.0123 0.0533 17 LEU u N ? ? 1 +46426 C CA . LEU AI 10 0.5871 0.7955 0.8954 0.0681 -0.0071 0.0531 17 LEU u CA ? ? 1 +46427 C CB . LEU AI 10 0.5709 0.7936 0.8946 0.0585 -0.0049 0.0511 17 LEU u CB ? ? 1 +46428 C CG . LEU AI 10 0.5590 0.7951 0.8946 0.0608 -0.0070 0.0486 17 LEU u CG ? ? 1 +46429 C CD1 . LEU AI 10 0.5438 0.7918 0.8926 0.0507 -0.0047 0.0469 17 LEU u CD1 ? ? 1 +46430 C CD2 . LEU AI 10 0.5758 0.7969 0.8997 0.0657 -0.0066 0.0479 17 LEU u CD2 ? ? 1 +46431 C C . LEU AI 10 0.5980 0.7879 0.8914 0.0637 -0.0032 0.0554 17 LEU u C ? ? 1 +46432 O O . LEU AI 10 0.6142 0.7866 0.8960 0.0598 0.0008 0.0556 17 LEU u O ? ? 1 +46433 N N . GLY AI 11 0.5913 0.7847 0.8848 0.0643 -0.0043 0.0571 18 GLY u N ? ? 1 +46434 C CA . GLY AI 11 0.6060 0.7812 0.8838 0.0618 -0.0009 0.0595 18 GLY u CA ? ? 1 +46435 C C . GLY AI 11 0.6275 0.7837 0.8860 0.0716 -0.0028 0.0615 18 GLY u C ? ? 1 +46436 O O . GLY AI 11 0.6417 0.7818 0.8858 0.0702 -0.0001 0.0637 18 GLY u O ? ? 1 +46437 N N . THR AI 12 0.6314 0.7896 0.8895 0.0816 -0.0074 0.0607 19 THR u N ? ? 1 +46438 C CA . THR AI 12 0.6524 0.7929 0.8924 0.0918 -0.0097 0.0623 19 THR u CA ? ? 1 +46439 C CB . THR AI 12 0.6432 0.7976 0.8901 0.1029 -0.0167 0.0618 19 THR u CB ? ? 1 +46440 O OG1 . THR AI 12 0.6344 0.8003 0.8921 0.1064 -0.0190 0.0594 19 THR u OG1 ? ? 1 +46441 C CG2 . THR AI 12 0.6234 0.7969 0.8840 0.1007 -0.0190 0.0618 19 THR u CG2 ? ? 1 +46442 C C . THR AI 12 0.6692 0.7930 0.8982 0.0932 -0.0074 0.0617 19 THR u C ? ? 1 +46443 O O . THR AI 12 0.6667 0.7920 0.9014 0.0854 -0.0039 0.0602 19 THR u O ? ? 1 +46444 N N . ALA AI 13 0.6891 0.7970 0.9022 0.1033 -0.0097 0.0628 20 ALA u N ? ? 1 +46445 C CA . ALA AI 13 0.7059 0.7966 0.9071 0.1057 -0.0079 0.0623 20 ALA u CA ? ? 1 +46446 C CB . ALA AI 13 0.7290 0.8014 0.9112 0.1175 -0.0107 0.0641 20 ALA u CB ? ? 1 +46447 C C . ALA AI 13 0.6929 0.7985 0.9084 0.1070 -0.0096 0.0593 20 ALA u C ? ? 1 +46448 O O . ALA AI 13 0.7045 0.7989 0.9139 0.1057 -0.0071 0.0583 20 ALA u O ? ? 1 +46449 N N . TYR AI 14 0.6707 0.8011 0.9049 0.1095 -0.0139 0.0579 21 TYR u N ? ? 1 +46450 C CA . TYR AI 14 0.6543 0.8013 0.9042 0.1094 -0.0151 0.0551 21 TYR u CA ? ? 1 +46451 C CB . TYR AI 14 0.6280 0.8018 0.8977 0.1109 -0.0192 0.0540 21 TYR u CB ? ? 1 +46452 C CG . TYR AI 14 0.6074 0.7999 0.8944 0.1098 -0.0200 0.0512 21 TYR u CG ? ? 1 +46453 C CD1 . TYR AI 14 0.6078 0.8054 0.8975 0.1193 -0.0235 0.0497 21 TYR u CD1 ? ? 1 +46454 C CD2 . TYR AI 14 0.5897 0.7946 0.8900 0.0993 -0.0173 0.0501 21 TYR u CD2 ? ? 1 +46455 C CE1 . TYR AI 14 0.5905 0.8050 0.8956 0.1184 -0.0239 0.0472 21 TYR u CE1 ? ? 1 +46456 C CE2 . TYR AI 14 0.5737 0.7951 0.8890 0.0984 -0.0180 0.0477 21 TYR u CE2 ? ? 1 +46457 C CZ . TYR AI 14 0.5735 0.7995 0.8909 0.1079 -0.0212 0.0463 21 TYR u CZ ? ? 1 +46458 O OH . TYR AI 14 0.5587 0.8002 0.8900 0.1074 -0.0216 0.0439 21 TYR u OH ? ? 1 +46459 C C . TYR AI 14 0.6524 0.7995 0.9074 0.0977 -0.0100 0.0537 21 TYR u C ? ? 1 +46460 O O . TYR AI 14 0.6505 0.8007 0.9101 0.0978 -0.0097 0.0516 21 TYR u O ? ? 1 +46461 N N . GLY AI 15 0.6556 0.8000 0.9102 0.0878 -0.0062 0.0548 22 GLY u N ? ? 1 +46462 C CA . GLY AI 15 0.6537 0.7979 0.9130 0.0762 -0.0014 0.0535 22 GLY u CA ? ? 1 +46463 C C . GLY AI 15 0.6789 0.7985 0.9211 0.0732 0.0030 0.0537 22 GLY u C ? ? 1 +46464 O O . GLY AI 15 0.6745 0.7931 0.9201 0.0638 0.0068 0.0523 22 GLY u O ? ? 1 +46465 N N . GLU AI 16 0.7066 0.8062 0.9304 0.0812 0.0024 0.0553 23 GLU u N ? ? 1 +46466 C CA . GLU AI 16 0.7350 0.8092 0.9408 0.0788 0.0067 0.0557 23 GLU u CA ? ? 1 +46467 C CB . GLU AI 16 0.7643 0.8186 0.9527 0.0775 0.0096 0.0588 23 GLU u CB ? ? 1 +46468 C CG . GLU AI 16 0.7624 0.8267 0.9582 0.0710 0.0108 0.0601 23 GLU u CG ? ? 1 +46469 C CD . GLU AI 16 0.7902 0.8355 0.9681 0.0722 0.0128 0.0634 23 GLU u CD ? ? 1 +46470 O OE1 . GLU AI 16 0.8178 0.8393 0.9758 0.0766 0.0142 0.0647 23 GLU u OE1 ? ? 1 +46471 O OE2 . GLU AI 16 0.7909 0.8448 0.9741 0.0691 0.0130 0.0646 23 GLU u OE2 ? ? 1 +46472 C C . GLU AI 16 0.7449 0.8072 0.9399 0.0889 0.0046 0.0551 23 GLU u C ? ? 1 +46473 O O . GLU AI 16 0.7604 0.8062 0.9452 0.0861 0.0079 0.0543 23 GLU u O ? ? 1 +46474 N N . LYS AI 17 0.7369 0.8068 0.9339 0.1007 -0.0008 0.0553 24 LYS u N ? ? 1 +46475 C CA . LYS AI 17 0.7470 0.8055 0.9332 0.1116 -0.0032 0.0549 24 LYS u CA ? ? 1 +46476 C CB . LYS AI 17 0.7734 0.8127 0.9403 0.1200 -0.0045 0.0577 24 LYS u CB ? ? 1 +46477 C CG . LYS AI 17 0.7983 0.8131 0.9470 0.1131 0.0009 0.0599 24 LYS u CG ? ? 1 +46478 C CD . LYS AI 17 0.8248 0.8200 0.9536 0.1223 -0.0006 0.0627 24 LYS u CD ? ? 1 +46479 C CE . LYS AI 17 0.8493 0.8207 0.9605 0.1149 0.0052 0.0651 24 LYS u CE ? ? 1 +46480 N NZ . LYS AI 17 0.8766 0.8283 0.9673 0.1243 0.0036 0.0680 24 LYS u NZ ? ? 1 +46481 C C . LYS AI 17 0.7208 0.8014 0.9228 0.1196 -0.0084 0.0529 24 LYS u C ? ? 1 +46482 O O . LYS AI 17 0.6984 0.8017 0.9182 0.1170 -0.0103 0.0522 24 LYS u O ? ? 1 +46483 N N . ILE AI 18 0.7251 0.7984 0.9200 0.1294 -0.0105 0.0520 25 ILE u N ? ? 1 +46484 C CA . ILE AI 18 0.7063 0.7986 0.9142 0.1385 -0.0154 0.0502 25 ILE u CA ? ? 1 +46485 C CB . ILE AI 18 0.7189 0.8012 0.9191 0.1465 -0.0159 0.0486 25 ILE u CB ? ? 1 +46486 C CG1 . ILE AI 18 0.7190 0.7956 0.9191 0.1379 -0.0113 0.0467 25 ILE u CG1 ? ? 1 +46487 C CG2 . ILE AI 18 0.7062 0.8088 0.9201 0.1565 -0.0209 0.0468 25 ILE u CG2 ? ? 1 +46488 C CD1 . ILE AI 18 0.7310 0.7990 0.9244 0.1453 -0.0116 0.0449 25 ILE u CD1 ? ? 1 +46489 C C . ILE AI 18 0.7017 0.7997 0.9095 0.1474 -0.0203 0.0518 25 ILE u C ? ? 1 +46490 O O . ILE AI 18 0.7224 0.8031 0.9135 0.1555 -0.0217 0.0534 25 ILE u O ? ? 1 +46491 N N . ASP AI 19 0.6750 0.7972 0.9012 0.1459 -0.0230 0.0512 26 ASP u N ? ? 1 +46492 C CA . ASP AI 19 0.6699 0.8009 0.8988 0.1540 -0.0281 0.0522 26 ASP u CA ? ? 1 +46493 C CB . ASP AI 19 0.6458 0.7981 0.8918 0.1467 -0.0287 0.0522 26 ASP u CB ? ? 1 +46494 C CG . ASP AI 19 0.6411 0.8037 0.8911 0.1535 -0.0340 0.0531 26 ASP u CG ? ? 1 +46495 O OD1 . ASP AI 19 0.6546 0.8109 0.8961 0.1649 -0.0379 0.0534 26 ASP u OD1 ? ? 1 +46496 O OD2 . ASP AI 19 0.6241 0.8010 0.8856 0.1474 -0.0342 0.0534 26 ASP u OD2 ? ? 1 +46497 C C . ASP AI 19 0.6660 0.8073 0.9010 0.1660 -0.0329 0.0503 26 ASP u C ? ? 1 +46498 O O . ASP AI 19 0.6476 0.8082 0.8995 0.1652 -0.0336 0.0479 26 ASP u O ? ? 1 +46499 N N . LEU AI 20 0.6833 0.8114 0.9042 0.1772 -0.0361 0.0513 27 LEU u N ? ? 1 +46500 C CA . LEU AI 20 0.6833 0.8186 0.9081 0.1894 -0.0404 0.0494 27 LEU u CA ? ? 1 +46501 C CB . LEU AI 20 0.7090 0.8244 0.9140 0.2009 -0.0433 0.0510 27 LEU u CB ? ? 1 +46502 C CG . LEU AI 20 0.7353 0.8202 0.9170 0.1995 -0.0390 0.0527 27 LEU u CG ? ? 1 +46503 C CD1 . LEU AI 20 0.7594 0.8260 0.9222 0.2114 -0.0425 0.0545 27 LEU u CD1 ? ? 1 +46504 C CD2 . LEU AI 20 0.7384 0.8186 0.9199 0.1982 -0.0358 0.0507 27 LEU u CD2 ? ? 1 +46505 C C . LEU AI 20 0.6591 0.8229 0.9051 0.1923 -0.0450 0.0478 27 LEU u C ? ? 1 +46506 O O . LEU AI 20 0.6515 0.8281 0.9074 0.1993 -0.0475 0.0455 27 LEU u O ? ? 1 +46507 N N . ASN AI 21 0.6477 0.8211 0.9005 0.1867 -0.0458 0.0490 28 ASN u N ? ? 1 +46508 C CA . ASN AI 21 0.6271 0.8262 0.8989 0.1889 -0.0502 0.0477 28 ASN u CA ? ? 1 +46509 C CB . ASN AI 21 0.6299 0.8270 0.8968 0.1892 -0.0528 0.0498 28 ASN u CB ? ? 1 +46510 C CG . ASN AI 21 0.6521 0.8336 0.9021 0.2009 -0.0568 0.0511 28 ASN u CG ? ? 1 +46511 O OD1 . ASN AI 21 0.6642 0.8401 0.9087 0.2106 -0.0589 0.0501 28 ASN u OD1 ? ? 1 +46512 N ND2 . ASN AI 21 0.6594 0.8334 0.9004 0.2003 -0.0581 0.0534 28 ASN u ND2 ? ? 1 +46513 C C . ASN AI 21 0.6019 0.8229 0.8946 0.1792 -0.0481 0.0461 28 ASN u C ? ? 1 +46514 O O . ASN AI 21 0.5843 0.8272 0.8936 0.1808 -0.0515 0.0448 28 ASN u O ? ? 1 +46515 N N . ASN AI 22 0.6001 0.8151 0.8917 0.1691 -0.0427 0.0462 29 ASN u N ? ? 1 +46516 C CA . ASN AI 22 0.5763 0.8098 0.8857 0.1590 -0.0405 0.0450 29 ASN u CA ? ? 1 +46517 C CB . ASN AI 22 0.5737 0.8048 0.8814 0.1500 -0.0386 0.0471 29 ASN u CB ? ? 1 +46518 C CG . ASN AI 22 0.5677 0.8098 0.8810 0.1536 -0.0431 0.0478 29 ASN u CG ? ? 1 +46519 O OD1 . ASN AI 22 0.5799 0.8103 0.8814 0.1542 -0.0437 0.0500 29 ASN u OD1 ? ? 1 +46520 N ND2 . ASN AI 22 0.5494 0.8144 0.8809 0.1556 -0.0461 0.0459 29 ASN u ND2 ? ? 1 +46521 C C . ASN AI 22 0.5722 0.8047 0.8846 0.1528 -0.0361 0.0435 29 ASN u C ? ? 1 +46522 O O . ASN AI 22 0.5526 0.8039 0.8817 0.1492 -0.0358 0.0417 29 ASN u O ? ? 1 +46523 N N . THR AI 23 0.5911 0.8012 0.8869 0.1513 -0.0327 0.0442 30 THR u N ? ? 1 +46524 C CA . THR AI 23 0.5888 0.7956 0.8857 0.1436 -0.0283 0.0430 30 THR u CA ? ? 1 +46525 C CB . THR AI 23 0.6116 0.7910 0.8879 0.1411 -0.0246 0.0443 30 THR u CB ? ? 1 +46526 O OG1 . THR AI 23 0.6163 0.7878 0.8860 0.1355 -0.0233 0.0467 30 THR u OG1 ? ? 1 +46527 C CG2 . THR AI 23 0.6105 0.7853 0.8871 0.1329 -0.0202 0.0427 30 THR u CG2 ? ? 1 +46528 C C . THR AI 23 0.5825 0.8000 0.8884 0.1490 -0.0292 0.0403 30 THR u C ? ? 1 +46529 O O . THR AI 23 0.5910 0.8067 0.8932 0.1599 -0.0321 0.0397 30 THR u O ? ? 1 +46530 N N . ASN AI 24 0.5686 0.7969 0.8859 0.1412 -0.0267 0.0387 31 ASN u N ? ? 1 +46531 C CA . ASN AI 24 0.5651 0.8016 0.8896 0.1446 -0.0265 0.0361 31 ASN u CA ? ? 1 +46532 C CB . ASN AI 24 0.5475 0.7965 0.8847 0.1342 -0.0238 0.0349 31 ASN u CB ? ? 1 +46533 C CG . ASN AI 24 0.5439 0.7991 0.8867 0.1365 -0.0229 0.0323 31 ASN u CG ? ? 1 +46534 O OD1 . ASN AI 24 0.5575 0.7983 0.8902 0.1356 -0.0203 0.0314 31 ASN u OD1 ? ? 1 +46535 N ND2 . ASN AI 24 0.5270 0.8035 0.8859 0.1392 -0.0247 0.0310 31 ASN u ND2 ? ? 1 +46536 C C . ASN AI 24 0.5894 0.8049 0.8974 0.1496 -0.0249 0.0356 31 ASN u C ? ? 1 +46537 O O . ASN AI 24 0.6059 0.8010 0.8990 0.1454 -0.0222 0.0368 31 ASN u O ? ? 1 +46538 N N . ILE AI 25 0.5913 0.8123 0.9025 0.1586 -0.0265 0.0337 32 ILE u N ? ? 1 +46539 C CA . ILE AI 25 0.6127 0.8154 0.9089 0.1660 -0.0258 0.0330 32 ILE u CA ? ? 1 +46540 C CB . ILE AI 25 0.6066 0.8231 0.9123 0.1760 -0.0281 0.0307 32 ILE u CB ? ? 1 +46541 C CG1 . ILE AI 25 0.6289 0.8277 0.9191 0.1870 -0.0289 0.0304 32 ILE u CG1 ? ? 1 +46542 C CG2 . ILE AI 25 0.5909 0.8213 0.9096 0.1705 -0.0257 0.0284 32 ILE u CG2 ? ? 1 +46543 C CD1 . ILE AI 25 0.6247 0.8374 0.9238 0.1983 -0.0318 0.0284 32 ILE u CD1 ? ? 1 +46544 C C . ILE AI 25 0.6239 0.8106 0.9103 0.1589 -0.0213 0.0323 32 ILE u C ? ? 1 +46545 O O . ILE AI 25 0.6449 0.8106 0.9147 0.1630 -0.0202 0.0324 32 ILE u O ? ? 1 +46546 N N . ALA AI 26 0.6109 0.8079 0.9079 0.1485 -0.0189 0.0313 33 ALA u N ? ? 1 +46547 C CA . ALA AI 26 0.6205 0.8044 0.9099 0.1409 -0.0149 0.0303 33 ALA u CA ? ? 1 +46548 C CB . ALA AI 26 0.5996 0.8006 0.9046 0.1311 -0.0134 0.0289 33 ALA u CB ? ? 1 +46549 C C . ALA AI 26 0.6394 0.8008 0.9125 0.1352 -0.0125 0.0322 33 ALA u C ? ? 1 +46550 O O . ALA AI 26 0.6547 0.7993 0.9167 0.1314 -0.0095 0.0314 33 ALA u O ? ? 1 +46551 N N . ALA AI 27 0.6416 0.8021 0.9129 0.1347 -0.0138 0.0347 34 ALA u N ? ? 1 +46552 C CA . ALA AI 27 0.6600 0.7992 0.9155 0.1298 -0.0114 0.0367 34 ALA u CA ? ? 1 +46553 C CB . ALA AI 27 0.6545 0.7988 0.9122 0.1296 -0.0133 0.0392 34 ALA u CB ? ? 1 +46554 C C . ALA AI 27 0.6907 0.8046 0.9255 0.1368 -0.0107 0.0372 34 ALA u C ? ? 1 +46555 O O . ALA AI 27 0.7077 0.8012 0.9283 0.1313 -0.0074 0.0381 34 ALA u O ? ? 1 +46556 N N . PHE AI 28 0.6994 0.8142 0.9324 0.1491 -0.0137 0.0365 35 PHE u N ? ? 1 +46557 C CA . PHE AI 28 0.7270 0.8183 0.9403 0.1574 -0.0136 0.0370 35 PHE u CA ? ? 1 +46558 C CB . PHE AI 28 0.7280 0.8271 0.9438 0.1718 -0.0182 0.0366 35 PHE u CB ? ? 1 +46559 C CG . PHE AI 28 0.7230 0.8299 0.9419 0.1764 -0.0220 0.0387 35 PHE u CG ? ? 1 +46560 C CD1 . PHE AI 28 0.7433 0.8306 0.9446 0.1812 -0.0229 0.0412 35 PHE u CD1 ? ? 1 +46561 C CD2 . PHE AI 28 0.6986 0.8319 0.9375 0.1755 -0.0247 0.0382 35 PHE u CD2 ? ? 1 +46562 C CE1 . PHE AI 28 0.7396 0.8339 0.9432 0.1855 -0.0267 0.0430 35 PHE u CE1 ? ? 1 +46563 C CE2 . PHE AI 28 0.6948 0.8350 0.9363 0.1795 -0.0283 0.0399 35 PHE u CE2 ? ? 1 +46564 C CZ . PHE AI 28 0.7152 0.8360 0.9391 0.1846 -0.0295 0.0423 35 PHE u CZ ? ? 1 +46565 C C . PHE AI 28 0.7423 0.8189 0.9466 0.1549 -0.0101 0.0350 35 PHE u C ? ? 1 +46566 O O . PHE AI 28 0.7677 0.8227 0.9544 0.1609 -0.0095 0.0353 35 PHE u O ? ? 1 +46567 N N . ILE AI 29 0.7300 0.8178 0.9457 0.1463 -0.0080 0.0329 36 ILE u N ? ? 1 +46568 C CA . ILE AI 29 0.7430 0.8170 0.9504 0.1422 -0.0047 0.0309 36 ILE u CA ? ? 1 +46569 C CB . ILE AI 29 0.7229 0.8170 0.9475 0.1365 -0.0041 0.0282 36 ILE u CB ? ? 1 +46570 C CG1 . ILE AI 29 0.7126 0.8241 0.9483 0.1470 -0.0072 0.0268 36 ILE u CG1 ? ? 1 +46571 C CG2 . ILE AI 29 0.7327 0.8138 0.9500 0.1299 -0.0007 0.0260 36 ILE u CG2 ? ? 1 +46572 C CD1 . ILE AI 29 0.6901 0.8245 0.9444 0.1421 -0.0071 0.0247 36 ILE u CD1 ? ? 1 +46573 C C . ILE AI 29 0.7596 0.8117 0.9526 0.1328 -0.0009 0.0321 36 ILE u C ? ? 1 +46574 O O . ILE AI 29 0.7754 0.8101 0.9568 0.1304 0.0019 0.0307 36 ILE u O ? ? 1 +46575 N N . GLN AI 30 0.7591 0.8116 0.9525 0.1275 -0.0006 0.0345 37 GLN u N ? ? 1 +46576 C CA . GLN AI 30 0.7759 0.8096 0.9572 0.1180 0.0033 0.0358 37 GLN u CA ? ? 1 +46577 C CB . GLN AI 30 0.7723 0.8139 0.9594 0.1129 0.0031 0.0383 37 GLN u CB ? ? 1 +46578 C CG . GLN AI 30 0.7523 0.8191 0.9605 0.1046 0.0028 0.0372 37 GLN u CG ? ? 1 +46579 C CD . GLN AI 30 0.7516 0.8254 0.9646 0.1005 0.0025 0.0397 37 GLN u CD ? ? 1 +46580 O OE1 . GLN AI 30 0.7681 0.8290 0.9728 0.0928 0.0058 0.0411 37 GLN u OE1 ? ? 1 +46581 N NE2 . GLN AI 30 0.7374 0.8320 0.9641 0.1054 -0.0013 0.0401 37 GLN u NE2 ? ? 1 +46582 C C . GLN AI 30 0.8035 0.8074 0.9612 0.1229 0.0049 0.0370 37 GLN u C ? ? 1 +46583 O O . GLN AI 30 0.8176 0.8033 0.9638 0.1147 0.0089 0.0374 37 GLN u O ? ? 1 +46584 N N . TYR AI 31 0.8115 0.8105 0.9618 0.1363 0.0018 0.0377 38 TYR u N ? ? 1 +46585 C CA . TYR AI 31 0.8374 0.8081 0.9646 0.1424 0.0029 0.0391 38 TYR u CA ? ? 1 +46586 C CB . TYR AI 31 0.8438 0.8093 0.9636 0.1481 0.0008 0.0425 38 TYR u CB ? ? 1 +46587 C CG . TYR AI 31 0.8324 0.8022 0.9568 0.1371 0.0028 0.0444 38 TYR u CG ? ? 1 +46588 C CD1 . TYR AI 31 0.8447 0.7956 0.9576 0.1267 0.0079 0.0452 38 TYR u CD1 ? ? 1 +46589 C CD2 . TYR AI 31 0.8095 0.8026 0.9504 0.1370 -0.0001 0.0452 38 TYR u CD2 ? ? 1 +46590 C CE1 . TYR AI 31 0.8363 0.7915 0.9538 0.1167 0.0101 0.0468 38 TYR u CE1 ? ? 1 +46591 C CE2 . TYR AI 31 0.8010 0.7981 0.9460 0.1272 0.0019 0.0468 38 TYR u CE2 ? ? 1 +46592 C CZ . TYR AI 31 0.8145 0.7928 0.9480 0.1171 0.0070 0.0476 38 TYR u CZ ? ? 1 +46593 O OH . TYR AI 31 0.8087 0.7912 0.9467 0.1074 0.0093 0.0491 38 TYR u OH ? ? 1 +46594 C C . TYR AI 31 0.8453 0.8111 0.9673 0.1538 0.0012 0.0372 38 TYR u C ? ? 1 +46595 O O . TYR AI 31 0.8297 0.8158 0.9661 0.1595 -0.0018 0.0355 38 TYR u O ? ? 1 +46596 N N . ARG AI 32 0.8698 0.8079 0.9707 0.1565 0.0034 0.0374 39 ARG u N ? ? 1 +46597 C CA . ARG AI 32 0.8822 0.8119 0.9757 0.1663 0.0025 0.0355 39 ARG u CA ? ? 1 +46598 C CB . ARG AI 32 0.9160 0.8126 0.9855 0.1650 0.0062 0.0358 39 ARG u CB ? ? 1 +46599 C CG . ARG AI 32 0.9336 0.8200 0.9951 0.1726 0.0063 0.0332 39 ARG u CG ? ? 1 +46600 C CD . ARG AI 32 0.9690 0.8211 1.0053 0.1725 0.0097 0.0338 39 ARG u CD ? ? 1 +46601 N NE . ARG AI 32 0.9775 0.8184 1.0092 0.1574 0.0144 0.0340 39 ARG u NE ? ? 1 +46602 C CZ . ARG AI 32 0.9702 0.8169 1.0102 0.1465 0.0170 0.0313 39 ARG u CZ ? ? 1 +46603 N NH1 . ARG AI 32 0.9644 0.8186 1.0105 0.1493 0.0163 0.0280 39 ARG u NH1 ? ? 1 +46604 N NH2 . ARG AI 32 0.9678 0.8130 1.0100 0.1325 0.0203 0.0317 39 ARG u NH2 ? ? 1 +46605 C C . ARG AI 32 0.8799 0.8161 0.9739 0.1817 -0.0024 0.0363 39 ARG u C ? ? 1 +46606 O O . ARG AI 32 0.8875 0.8166 0.9734 0.1866 -0.0042 0.0391 39 ARG u O ? ? 1 +46607 N N . GLY AI 33 0.8676 0.8179 0.9716 0.1892 -0.0046 0.0337 40 GLY u N ? ? 1 +46608 C CA . GLY AI 33 0.8704 0.8238 0.9730 0.2047 -0.0088 0.0338 40 GLY u CA ? ? 1 +46609 C C . GLY AI 33 0.8475 0.8261 0.9668 0.2097 -0.0134 0.0346 40 GLY u C ? ? 1 +46610 O O . GLY AI 33 0.8529 0.8343 0.9712 0.2227 -0.0173 0.0346 40 GLY u O ? ? 1 +46611 N N . LEU AI 34 0.8220 0.8187 0.9567 0.1996 -0.0131 0.0351 41 LEU u N ? ? 1 +46612 C CA . LEU AI 34 0.8016 0.8216 0.9521 0.2031 -0.0172 0.0359 41 LEU u CA ? ? 1 +46613 C CB . LEU AI 34 0.7925 0.8158 0.9466 0.1918 -0.0160 0.0381 41 LEU u CB ? ? 1 +46614 C CG . LEU AI 34 0.8149 0.8135 0.9489 0.1906 -0.0147 0.0413 41 LEU u CG ? ? 1 +46615 C CD1 . LEU AI 34 0.8027 0.8076 0.9429 0.1789 -0.0131 0.0431 41 LEU u CD1 ? ? 1 +46616 C CD2 . LEU AI 34 0.8287 0.8214 0.9536 0.2042 -0.0191 0.0429 41 LEU u CD2 ? ? 1 +46617 C C . LEU AI 34 0.7748 0.8238 0.9481 0.2042 -0.0189 0.0333 41 LEU u C ? ? 1 +46618 O O . LEU AI 34 0.7636 0.8307 0.9486 0.2111 -0.0230 0.0333 41 LEU u O ? ? 1 +46619 N N . TYR AI 35 0.7652 0.8183 0.9444 0.1974 -0.0158 0.0309 42 TYR u N ? ? 1 +46620 C CA . TYR AI 35 0.7392 0.8192 0.9397 0.1965 -0.0166 0.0286 42 TYR u CA ? ? 1 +46621 C CB . TYR AI 35 0.7192 0.8092 0.9305 0.1818 -0.0140 0.0284 42 TYR u CB ? ? 1 +46622 C CG . TYR AI 35 0.6919 0.8089 0.9248 0.1791 -0.0144 0.0263 42 TYR u CG ? ? 1 +46623 C CD1 . TYR AI 35 0.6892 0.8085 0.9249 0.1788 -0.0124 0.0235 42 TYR u CD1 ? ? 1 +46624 C CD2 . TYR AI 35 0.6691 0.8085 0.9189 0.1765 -0.0166 0.0271 42 TYR u CD2 ? ? 1 +46625 C CE1 . TYR AI 35 0.6659 0.8090 0.9204 0.1761 -0.0125 0.0217 42 TYR u CE1 ? ? 1 +46626 C CE2 . TYR AI 35 0.6457 0.8089 0.9146 0.1738 -0.0167 0.0253 42 TYR u CE2 ? ? 1 +46627 C CZ . TYR AI 35 0.6444 0.8093 0.9155 0.1737 -0.0146 0.0226 42 TYR u CZ ? ? 1 +46628 O OH . TYR AI 35 0.6228 0.8104 0.9118 0.1711 -0.0146 0.0210 42 TYR u OH ? ? 1 +46629 C C . TYR AI 35 0.7463 0.8241 0.9452 0.2025 -0.0156 0.0257 42 TYR u C ? ? 1 +46630 O O . TYR AI 35 0.7636 0.8214 0.9485 0.1999 -0.0125 0.0249 42 TYR u O ? ? 1 +46631 N N . PRO AI 36 0.7352 0.8333 0.9484 0.2102 -0.0178 0.0238 43 PRO u N ? ? 1 +46632 C CA . PRO AI 36 0.7159 0.8386 0.9467 0.2130 -0.0214 0.0243 43 PRO u CA ? ? 1 +46633 C CB . PRO AI 36 0.6994 0.8430 0.9468 0.2145 -0.0209 0.0213 43 PRO u CB ? ? 1 +46634 C CG . PRO AI 36 0.7179 0.8455 0.9527 0.2211 -0.0191 0.0194 43 PRO u CG ? ? 1 +46635 C CD . PRO AI 36 0.7395 0.8384 0.9532 0.2160 -0.0166 0.0208 43 PRO u CD ? ? 1 +46636 C C . PRO AI 36 0.7250 0.8470 0.9520 0.2257 -0.0259 0.0254 43 PRO u C ? ? 1 +46637 O O . PRO AI 36 0.7115 0.8503 0.9504 0.2265 -0.0291 0.0263 43 PRO u O ? ? 1 +46638 N N . THR AI 37 0.7494 0.8521 0.9599 0.2357 -0.0264 0.0253 44 THR u N ? ? 1 +46639 C CA . THR AI 37 0.7572 0.8630 0.9669 0.2497 -0.0310 0.0254 44 THR u CA ? ? 1 +46640 C CB . THR AI 37 0.7832 0.8677 0.9751 0.2605 -0.0308 0.0246 44 THR u CB ? ? 1 +46641 O OG1 . THR AI 37 0.7822 0.8671 0.9763 0.2588 -0.0273 0.0219 44 THR u OG1 ? ? 1 +46642 C CG2 . THR AI 37 0.7880 0.8794 0.9821 0.2758 -0.0357 0.0240 44 THR u CG2 ? ? 1 +46643 C C . THR AI 37 0.7606 0.8643 0.9667 0.2505 -0.0344 0.0283 44 THR u C ? ? 1 +46644 O O . THR AI 37 0.7495 0.8723 0.9687 0.2556 -0.0385 0.0282 44 THR u O ? ? 1 +46645 N N . LEU AI 38 0.7779 0.8584 0.9663 0.2454 -0.0326 0.0308 45 LEU u N ? ? 1 +46646 C CA . LEU AI 38 0.7822 0.8587 0.9653 0.2459 -0.0354 0.0337 45 LEU u CA ? ? 1 +46647 C CB . LEU AI 38 0.8058 0.8519 0.9657 0.2416 -0.0325 0.0363 45 LEU u CB ? ? 1 +46648 C CG . LEU AI 38 0.8343 0.8568 0.9734 0.2536 -0.0338 0.0369 45 LEU u CG ? ? 1 +46649 C CD1 . LEU AI 38 0.8569 0.8503 0.9736 0.2488 -0.0309 0.0398 45 LEU u CD1 ? ? 1 +46650 C CD2 . LEU AI 38 0.8354 0.8674 0.9778 0.2671 -0.0400 0.0371 45 LEU u CD2 ? ? 1 +46651 C C . LEU AI 38 0.7577 0.8563 0.9588 0.2366 -0.0360 0.0344 45 LEU u C ? ? 1 +46652 O O . LEU AI 38 0.7521 0.8602 0.9582 0.2405 -0.0400 0.0355 45 LEU u O ? ? 1 +46653 N N . ALA AI 39 0.7455 0.8520 0.9561 0.2245 -0.0321 0.0335 46 ALA u N ? ? 1 +46654 C CA . ALA AI 39 0.7231 0.8506 0.9512 0.2152 -0.0323 0.0339 46 ALA u CA ? ? 1 +46655 C CB . ALA AI 39 0.7105 0.8429 0.9461 0.2030 -0.0278 0.0325 46 ALA u CB ? ? 1 +46656 C C . ALA AI 39 0.7080 0.8624 0.9553 0.2221 -0.0367 0.0324 46 ALA u C ? ? 1 +46657 O O . ALA AI 39 0.6958 0.8630 0.9520 0.2205 -0.0393 0.0335 46 ALA u O ? ? 1 +46658 N N . LYS AI 40 0.7101 0.8728 0.9639 0.2294 -0.0371 0.0298 47 LYS u N ? ? 1 +46659 C CA . LYS AI 40 0.6968 0.8846 0.9688 0.2364 -0.0408 0.0280 47 LYS u CA ? ? 1 +46660 C CB . LYS AI 40 0.7014 0.8944 0.9779 0.2432 -0.0397 0.0250 47 LYS u CB ? ? 1 +46661 C CG . LYS AI 40 0.7052 0.9109 0.9891 0.2571 -0.0441 0.0232 47 LYS u CG ? ? 1 +46662 C CD . LYS AI 40 0.6947 0.9194 0.9947 0.2588 -0.0425 0.0200 47 LYS u CD ? ? 1 +46663 C CE . LYS AI 40 0.7086 0.9350 1.0081 0.2732 -0.0448 0.0179 47 LYS u CE ? ? 1 +46664 N NZ . LYS AI 40 0.6959 0.9424 1.0124 0.2737 -0.0427 0.0148 47 LYS u NZ ? ? 1 +46665 C C . LYS AI 40 0.7042 0.8916 0.9724 0.2465 -0.0462 0.0292 47 LYS u C ? ? 1 +46666 O O . LYS AI 40 0.6900 0.8967 0.9725 0.2463 -0.0494 0.0292 47 LYS u O ? ? 1 +46667 N N . LEU AI 41 0.7283 0.8933 0.9771 0.2551 -0.0473 0.0302 48 LEU u N ? ? 1 +46668 C CA . LEU AI 41 0.7376 0.8995 0.9802 0.2654 -0.0526 0.0313 48 LEU u CA ? ? 1 +46669 C CB . LEU AI 41 0.7676 0.9025 0.9874 0.2750 -0.0529 0.0321 48 LEU u CB ? ? 1 +46670 C CG . LEU AI 41 0.7750 0.9115 0.9960 0.2853 -0.0530 0.0292 48 LEU u CG ? ? 1 +46671 C CD1 . LEU AI 41 0.8047 0.9139 1.0023 0.2953 -0.0537 0.0301 48 LEU u CD1 ? ? 1 +46672 C CD2 . LEU AI 41 0.7606 0.9238 1.0010 0.2942 -0.0577 0.0268 48 LEU u CD2 ? ? 1 +46673 C C . LEU AI 41 0.7323 0.8930 0.9730 0.2589 -0.0539 0.0342 48 LEU u C ? ? 1 +46674 O O . LEU AI 41 0.7240 0.8978 0.9725 0.2636 -0.0587 0.0343 48 LEU u O ? ? 1 +46675 N N . ILE AI 42 0.7358 0.8812 0.9664 0.2477 -0.0496 0.0362 49 ILE u N ? ? 1 +46676 C CA . ILE AI 42 0.7313 0.8741 0.9590 0.2408 -0.0499 0.0389 49 ILE u CA ? ? 1 +46677 C CB . ILE AI 42 0.7392 0.8619 0.9538 0.2289 -0.0442 0.0408 49 ILE u CB ? ? 1 +46678 C CG1 . ILE AI 42 0.7696 0.8617 0.9593 0.2343 -0.0427 0.0420 49 ILE u CG1 ? ? 1 +46679 C CG2 . ILE AI 42 0.7311 0.8554 0.9467 0.2199 -0.0438 0.0432 49 ILE u CG2 ? ? 1 +46680 C CD1 . ILE AI 42 0.7771 0.8510 0.9561 0.2228 -0.0365 0.0428 49 ILE u CD1 ? ? 1 +46681 C C . ILE AI 42 0.7033 0.8743 0.9536 0.2354 -0.0517 0.0381 49 ILE u C ? ? 1 +46682 O O . ILE AI 42 0.7004 0.8774 0.9530 0.2371 -0.0554 0.0393 49 ILE u O ? ? 1 +46683 N N . VAL AI 43 0.6847 0.8724 0.9512 0.2288 -0.0491 0.0360 50 VAL u N ? ? 1 +46684 C CA . VAL AI 43 0.6592 0.8725 0.9468 0.2226 -0.0501 0.0353 50 VAL u CA ? ? 1 +46685 C CB . VAL AI 43 0.6429 0.8664 0.9423 0.2126 -0.0455 0.0338 50 VAL u CB ? ? 1 +46686 C CG1 . VAL AI 43 0.6158 0.8669 0.9378 0.2075 -0.0467 0.0328 50 VAL u CG1 ? ? 1 +46687 C CG2 . VAL AI 43 0.6499 0.8554 0.9375 0.2015 -0.0406 0.0355 50 VAL u CG2 ? ? 1 +46688 C C . VAL AI 43 0.6500 0.8833 0.9510 0.2328 -0.0555 0.0336 50 VAL u C ? ? 1 +46689 O O . VAL AI 43 0.6371 0.8854 0.9488 0.2314 -0.0585 0.0339 50 VAL u O ? ? 1 +46690 N N . LYS AI 44 0.6597 0.8931 0.9601 0.2431 -0.0568 0.0316 51 LYS u N ? ? 1 +46691 C CA . LYS AI 44 0.6547 0.9068 0.9678 0.2535 -0.0618 0.0295 51 LYS u CA ? ? 1 +46692 C CB . LYS AI 44 0.6701 0.9184 0.9799 0.2642 -0.0619 0.0273 51 LYS u CB ? ? 1 +46693 C CG . LYS AI 44 0.6587 0.9329 0.9889 0.2705 -0.0643 0.0241 51 LYS u CG ? ? 1 +46694 C CD . LYS AI 44 0.6377 0.9305 0.9859 0.2602 -0.0602 0.0227 51 LYS u CD ? ? 1 +46695 C CE . LYS AI 44 0.6287 0.9431 0.9944 0.2666 -0.0609 0.0193 51 LYS u CE ? ? 1 +46696 N NZ . LYS AI 44 0.6043 0.9402 0.9895 0.2569 -0.0583 0.0182 51 LYS u NZ ? ? 1 +46697 C C . LYS AI 44 0.6607 0.9090 0.9671 0.2601 -0.0673 0.0311 51 LYS u C ? ? 1 +46698 O O . LYS AI 44 0.6467 0.9149 0.9676 0.2622 -0.0714 0.0301 51 LYS u O ? ? 1 +46699 N N . ASN AI 45 0.6817 0.9040 0.9657 0.2630 -0.0674 0.0335 52 ASN u N ? ? 1 +46700 C CA . ASN AI 45 0.6917 0.9069 0.9659 0.2710 -0.0727 0.0350 52 ASN u CA ? ? 1 +46701 C CB . ASN AI 45 0.7192 0.9086 0.9710 0.2806 -0.0732 0.0360 52 ASN u CB ? ? 1 +46702 C CG . ASN AI 45 0.7225 0.9186 0.9793 0.2921 -0.0752 0.0331 52 ASN u CG ? ? 1 +46703 O OD1 . ASN AI 45 0.7245 0.9302 0.9860 0.3032 -0.0809 0.0318 52 ASN u OD1 ? ? 1 +46704 N ND2 . ASN AI 45 0.7239 0.9152 0.9798 0.2900 -0.0705 0.0318 52 ASN u ND2 ? ? 1 +46705 C C . ASN AI 45 0.6879 0.8985 0.9575 0.2627 -0.0727 0.0378 52 ASN u C ? ? 1 +46706 O O . ASN AI 45 0.7017 0.9030 0.9603 0.2686 -0.0766 0.0394 52 ASN u O ? ? 1 +46707 N N . ALA AI 46 0.6701 0.8874 0.9482 0.2493 -0.0684 0.0383 53 ALA u N ? ? 1 +46708 C CA . ALA AI 46 0.6650 0.8813 0.9416 0.2411 -0.0682 0.0407 53 ALA u CA ? ? 1 +46709 C CB . ALA AI 46 0.6503 0.8688 0.9328 0.2264 -0.0621 0.0411 53 ALA u CB ? ? 1 +46710 C C . ALA AI 46 0.6487 0.8881 0.9415 0.2443 -0.0738 0.0396 53 ALA u C ? ? 1 +46711 O O . ALA AI 46 0.6368 0.8959 0.9455 0.2495 -0.0764 0.0368 53 ALA u O ? ? 1 +46712 N N . PRO AI 47 0.6469 0.8853 0.9368 0.2409 -0.0756 0.0415 54 PRO u N ? ? 1 +46713 C CA . PRO AI 47 0.6604 0.8764 0.9320 0.2344 -0.0723 0.0448 54 PRO u CA ? ? 1 +46714 C CB . PRO AI 47 0.6456 0.8750 0.9271 0.2276 -0.0737 0.0455 54 PRO u CB ? ? 1 +46715 C CG . PRO AI 47 0.6364 0.8864 0.9317 0.2371 -0.0806 0.0432 54 PRO u CG ? ? 1 +46716 C CD . PRO AI 47 0.6313 0.8915 0.9366 0.2426 -0.0807 0.0404 54 PRO u CD ? ? 1 +46717 C C . PRO AI 47 0.6879 0.8791 0.9359 0.2436 -0.0745 0.0468 54 PRO u C ? ? 1 +46718 O O . PRO AI 47 0.6972 0.8894 0.9430 0.2560 -0.0797 0.0457 54 PRO u O ? ? 1 +46719 N N . TYR AI 48 0.7011 0.8702 0.9316 0.2372 -0.0704 0.0498 55 TYR u N ? ? 1 +46720 C CA . TYR AI 48 0.7290 0.8711 0.9346 0.2440 -0.0712 0.0522 55 TYR u CA ? ? 1 +46721 C CB . TYR AI 48 0.7423 0.8612 0.9324 0.2408 -0.0653 0.0532 55 TYR u CB ? ? 1 +46722 C CG . TYR AI 48 0.7338 0.8600 0.9325 0.2441 -0.0643 0.0504 55 TYR u CG ? ? 1 +46723 C CD1 . TYR AI 48 0.7472 0.8661 0.9381 0.2572 -0.0676 0.0494 55 TYR u CD1 ? ? 1 +46724 C CD2 . TYR AI 48 0.7118 0.8522 0.9264 0.2343 -0.0603 0.0487 55 TYR u CD2 ? ? 1 +46725 C CE1 . TYR AI 48 0.7423 0.8676 0.9408 0.2603 -0.0666 0.0467 55 TYR u CE1 ? ? 1 +46726 C CE2 . TYR AI 48 0.7069 0.8535 0.9288 0.2373 -0.0593 0.0461 55 TYR u CE2 ? ? 1 +46727 C CZ . TYR AI 48 0.7221 0.8613 0.9361 0.2503 -0.0623 0.0451 55 TYR u CZ ? ? 1 +46728 O OH . TYR AI 48 0.7177 0.8630 0.9386 0.2536 -0.0612 0.0425 55 TYR u OH ? ? 1 +46729 C C . TYR AI 48 0.7370 0.8716 0.9342 0.2387 -0.0710 0.0550 55 TYR u C ? ? 1 +46730 O O . TYR AI 48 0.7239 0.8655 0.9293 0.2268 -0.0672 0.0555 55 TYR u O ? ? 1 +46731 N N . GLU AI 49 0.7624 0.8827 0.9431 0.2478 -0.0751 0.0567 56 GLU u N ? ? 1 +46732 C CA . GLU AI 49 0.7737 0.8843 0.9438 0.2436 -0.0747 0.0595 56 GLU u CA ? ? 1 +46733 C CB . GLU AI 49 0.7979 0.9017 0.9561 0.2562 -0.0816 0.0604 56 GLU u CB ? ? 1 +46734 C CG . GLU AI 49 0.7882 0.9179 0.9646 0.2611 -0.0887 0.0581 56 GLU u CG ? ? 1 +46735 C CD . GLU AI 49 0.8152 0.9360 0.9777 0.2738 -0.0957 0.0590 56 GLU u CD ? ? 1 +46736 O OE1 . GLU AI 49 0.8334 0.9392 0.9806 0.2719 -0.0953 0.0618 56 GLU u OE1 ? ? 1 +46737 O OE2 . GLU AI 49 0.8243 0.9524 0.9908 0.2858 -0.1015 0.0568 56 GLU u OE2 ? ? 1 +46738 C C . GLU AI 49 0.7879 0.8714 0.9381 0.2358 -0.0677 0.0625 56 GLU u C ? ? 1 +46739 O O . GLU AI 49 0.7842 0.8643 0.9321 0.2262 -0.0642 0.0643 56 GLU u O ? ? 1 +46740 N N . SER AI 50 0.8036 0.8675 0.9391 0.2403 -0.0656 0.0628 57 SER u N ? ? 1 +46741 C CA . SER AI 50 0.8176 0.8559 0.9351 0.2327 -0.0586 0.0652 57 SER u CA ? ? 1 +46742 C CB . SER AI 50 0.8468 0.8577 0.9377 0.2394 -0.0595 0.0684 57 SER u CB ? ? 1 +46743 O OG . SER AI 50 0.8653 0.8657 0.9455 0.2528 -0.0632 0.0678 57 SER u OG ? ? 1 +46744 C C . SER AI 50 0.8183 0.8505 0.9352 0.2325 -0.0552 0.0636 57 SER u C ? ? 1 +46745 O O . SER AI 50 0.8132 0.8569 0.9392 0.2408 -0.0588 0.0612 57 SER u O ? ? 1 +46746 N N . VAL AI 51 0.8238 0.8379 0.9299 0.2228 -0.0481 0.0650 58 VAL u N ? ? 1 +46747 C CA . VAL AI 51 0.8235 0.8312 0.9290 0.2203 -0.0441 0.0635 58 VAL u CA ? ? 1 +46748 C CB . VAL AI 51 0.8328 0.8205 0.9262 0.2076 -0.0362 0.0653 58 VAL u CB ? ? 1 +46749 C CG1 . VAL AI 51 0.8389 0.8173 0.9293 0.2055 -0.0323 0.0636 58 VAL u CG1 ? ? 1 +46750 C CG2 . VAL AI 51 0.8105 0.8137 0.9188 0.1942 -0.0331 0.0653 58 VAL u CG2 ? ? 1 +46751 C C . VAL AI 51 0.8420 0.8358 0.9342 0.2341 -0.0473 0.0630 58 VAL u C ? ? 1 +46752 O O . VAL AI 51 0.8349 0.8368 0.9356 0.2377 -0.0478 0.0605 58 VAL u O ? ? 1 +46753 N N . GLU AI 52 0.8658 0.8384 0.9367 0.2421 -0.0493 0.0656 59 GLU u N ? ? 1 +46754 C CA . GLU AI 52 0.8891 0.8442 0.9438 0.2552 -0.0519 0.0656 59 GLU u CA ? ? 1 +46755 C CB . GLU AI 52 0.9196 0.8462 0.9471 0.2608 -0.0524 0.0691 59 GLU u CB ? ? 1 +46756 C CG . GLU AI 52 0.9178 0.8503 0.9449 0.2631 -0.0566 0.0709 59 GLU u CG ? ? 1 +46757 C CD . GLU AI 52 0.9127 0.8419 0.9385 0.2491 -0.0513 0.0731 59 GLU u CD ? ? 1 +46758 O OE1 . GLU AI 52 0.8942 0.8343 0.9339 0.2367 -0.0463 0.0719 59 GLU u OE1 ? ? 1 +46759 O OE2 . GLU AI 52 0.9274 0.8440 0.9388 0.2508 -0.0522 0.0759 59 GLU u OE2 ? ? 1 +46760 C C . GLU AI 52 0.8783 0.8540 0.9469 0.2680 -0.0592 0.0628 59 GLU u C ? ? 1 +46761 O O . GLU AI 52 0.8921 0.8590 0.9532 0.2782 -0.0609 0.0618 59 GLU u O ? ? 1 +46762 N N . ASP AI 53 0.8534 0.8566 0.9427 0.2674 -0.0632 0.0614 60 ASP u N ? ? 1 +46763 C CA . ASP AI 53 0.8405 0.8660 0.9458 0.2783 -0.0698 0.0585 60 ASP u CA ? ? 1 +46764 C CB . ASP AI 53 0.8136 0.8675 0.9405 0.2750 -0.0734 0.0574 60 ASP u CB ? ? 1 +46765 C CG . ASP AI 53 0.8208 0.8703 0.9389 0.2781 -0.0774 0.0596 60 ASP u CG ? ? 1 +46766 O OD1 . ASP AI 53 0.8470 0.8730 0.9426 0.2859 -0.0789 0.0618 60 ASP u OD1 ? ? 1 +46767 O OD2 . ASP AI 53 0.8021 0.8708 0.9351 0.2729 -0.0790 0.0592 60 ASP u OD2 ? ? 1 +46768 C C . ASP AI 53 0.8313 0.8668 0.9486 0.2786 -0.0679 0.0554 60 ASP u C ? ? 1 +46769 O O . ASP AI 53 0.8308 0.8768 0.9551 0.2897 -0.0725 0.0531 60 ASP u O ? ? 1 +46770 N N . VAL AI 54 0.8254 0.8576 0.9451 0.2664 -0.0612 0.0553 61 VAL u N ? ? 1 +46771 C CA . VAL AI 54 0.8173 0.8577 0.9474 0.2657 -0.0589 0.0525 61 VAL u CA ? ? 1 +46772 C CB . VAL AI 54 0.8087 0.8455 0.9412 0.2501 -0.0516 0.0527 61 VAL u CB ? ? 1 +46773 C CG1 . VAL AI 54 0.8357 0.8398 0.9433 0.2474 -0.0467 0.0548 61 VAL u CG1 ? ? 1 +46774 C CG2 . VAL AI 54 0.7897 0.8449 0.9405 0.2473 -0.0499 0.0494 61 VAL u CG2 ? ? 1 +46775 C C . VAL AI 54 0.8422 0.8640 0.9565 0.2776 -0.0599 0.0519 61 VAL u C ? ? 1 +46776 O O . VAL AI 54 0.8356 0.8679 0.9597 0.2822 -0.0604 0.0491 61 VAL u O ? ? 1 +46777 N N . LEU AI 55 0.8722 0.8663 0.9617 0.2826 -0.0600 0.0547 62 LEU u N ? ? 1 +46778 C CA . LEU AI 55 0.8998 0.8734 0.9716 0.2943 -0.0610 0.0546 62 LEU u CA ? ? 1 +46779 C CB . LEU AI 55 0.9302 0.8707 0.9733 0.2959 -0.0596 0.0583 62 LEU u CB ? ? 1 +46780 C CG . LEU AI 55 0.9372 0.8586 0.9686 0.2817 -0.0521 0.0606 62 LEU u CG ? ? 1 +46781 C CD1 . LEU AI 55 0.9673 0.8577 0.9708 0.2851 -0.0514 0.0643 62 LEU u CD1 ? ? 1 +46782 C CD2 . LEU AI 55 0.9399 0.8532 0.9700 0.2762 -0.0465 0.0590 62 LEU u CD2 ? ? 1 +46783 C C . LEU AI 55 0.9025 0.8894 0.9810 0.3102 -0.0685 0.0526 62 LEU u C ? ? 1 +46784 O O . LEU AI 55 0.9193 0.8951 0.9882 0.3210 -0.0698 0.0516 62 LEU u O ? ? 1 +46785 N N . ASN AI 56 0.8877 0.8979 0.9823 0.3118 -0.0735 0.0520 63 ASN u N ? ? 1 +46786 C CA . ASN AI 56 0.8888 0.9134 0.9909 0.3262 -0.0812 0.0501 63 ASN u CA ? ? 1 +46787 C CB . ASN AI 56 0.8855 0.9161 0.9879 0.3281 -0.0863 0.0517 63 ASN u CB ? ? 1 +46788 C CG . ASN AI 56 0.9127 0.9130 0.9874 0.3304 -0.0862 0.0555 63 ASN u CG ? ? 1 +46789 O OD1 . ASN AI 56 0.9377 0.9118 0.9913 0.3351 -0.0841 0.0568 63 ASN u OD1 ? ? 1 +46790 N ND2 . ASN AI 56 0.9097 0.9127 0.9834 0.3277 -0.0884 0.0573 63 ASN u ND2 ? ? 1 +46791 C C . ASN AI 56 0.8668 0.9224 0.9959 0.3272 -0.0826 0.0461 63 ASN u C ? ? 1 +46792 O O . ASN AI 56 0.8634 0.9359 1.0032 0.3376 -0.0889 0.0441 63 ASN u O ? ? 1 +46793 N N . ILE AI 57 0.8552 0.9180 0.9949 0.3165 -0.0768 0.0448 64 ILE u N ? ? 1 +46794 C CA . ILE AI 57 0.8359 0.9260 0.9996 0.3172 -0.0774 0.0412 64 ILE u CA ? ? 1 +46795 C CB . ILE AI 57 0.8210 0.9154 0.9934 0.3037 -0.0705 0.0404 64 ILE u CB ? ? 1 +46796 C CG1 . ILE AI 57 0.8037 0.9049 0.9830 0.2895 -0.0679 0.0420 64 ILE u CG1 ? ? 1 +46797 C CG2 . ILE AI 57 0.8028 0.9221 0.9970 0.3060 -0.0707 0.0366 64 ILE u CG2 ? ? 1 +46798 C CD1 . ILE AI 57 0.7958 0.8948 0.9781 0.2768 -0.0611 0.0418 64 ILE u CD1 ? ? 1 +46799 C C . ILE AI 57 0.8541 0.9418 1.0145 0.3321 -0.0804 0.0390 64 ILE u C ? ? 1 +46800 O O . ILE AI 57 0.8782 0.9422 1.0203 0.3357 -0.0778 0.0396 64 ILE u O ? ? 1 +46801 N N . PRO AI 58 0.8473 0.9587 1.0248 0.3414 -0.0860 0.0362 65 PRO u N ? ? 1 +46802 C CA . PRO AI 58 0.8619 0.9727 1.0376 0.3560 -0.0889 0.0338 65 PRO u CA ? ? 1 +46803 C CB . PRO AI 58 0.8426 0.9844 1.0413 0.3625 -0.0950 0.0310 65 PRO u CB ? ? 1 +46804 C CG . PRO AI 58 0.8290 0.9794 1.0333 0.3544 -0.0969 0.0328 65 PRO u CG ? ? 1 +46805 C CD . PRO AI 58 0.8238 0.9628 1.0223 0.3389 -0.0899 0.0352 65 PRO u CD ? ? 1 +46806 C C . PRO AI 58 0.8640 0.9729 1.0421 0.3539 -0.0834 0.0318 65 PRO u C ? ? 1 +46807 O O . PRO AI 58 0.8430 0.9671 1.0366 0.3433 -0.0794 0.0306 65 PRO u O ? ? 1 +46808 N N . GLY AI 59 0.8923 0.9815 1.0538 0.3642 -0.0834 0.0315 66 GLY u N ? ? 1 +46809 C CA . GLY AI 59 0.8977 0.9849 1.0607 0.3649 -0.0791 0.0293 66 GLY u CA ? ? 1 +46810 C C . GLY AI 59 0.9104 0.9747 1.0585 0.3540 -0.0719 0.0309 66 GLY u C ? ? 1 +46811 O O . GLY AI 59 0.9172 0.9789 1.0657 0.3538 -0.0681 0.0290 66 GLY u O ? ? 1 +46812 N N . LEU AI 60 0.9177 0.9655 1.0527 0.3449 -0.0700 0.0343 67 LEU u N ? ? 1 +46813 C CA . LEU AI 60 0.9292 0.9520 1.0474 0.3356 -0.0636 0.0360 67 LEU u CA ? ? 1 +46814 C CB . LEU AI 60 0.9322 0.9409 1.0387 0.3260 -0.0622 0.0398 67 LEU u CB ? ? 1 +46815 C CG . LEU AI 60 0.9033 0.9330 1.0282 0.3128 -0.0610 0.0401 67 LEU u CG ? ? 1 +46816 C CD1 . LEU AI 60 0.9094 0.9263 1.0225 0.3069 -0.0609 0.0437 67 LEU u CD1 ? ? 1 +46817 C CD2 . LEU AI 60 0.8916 0.9247 1.0239 0.3003 -0.0547 0.0389 67 LEU u CD2 ? ? 1 +46818 C C . LEU AI 60 0.9597 0.9556 1.0556 0.3462 -0.0632 0.0361 67 LEU u C ? ? 1 +46819 O O . LEU AI 60 0.9751 0.9627 1.0606 0.3590 -0.0680 0.0368 67 LEU u O ? ? 1 +46820 N N . THR AI 61 0.9686 0.9509 1.0572 0.3409 -0.0575 0.0353 68 THR u N ? ? 1 +46821 C CA . THR AI 61 1.0006 0.9536 1.0656 0.3488 -0.0562 0.0357 68 THR u CA ? ? 1 +46822 C CB . THR AI 61 0.9999 0.9491 1.0657 0.3448 -0.0509 0.0333 68 THR u CB ? ? 1 +46823 O OG1 . THR AI 61 0.9917 0.9354 1.0569 0.3281 -0.0452 0.0343 68 THR u OG1 ? ? 1 +46824 C CG2 . THR AI 61 0.9777 0.9564 1.0674 0.3488 -0.0521 0.0294 68 THR u CG2 ? ? 1 +46825 C C . THR AI 61 1.0257 0.9495 1.0670 0.3438 -0.0543 0.0397 68 THR u C ? ? 1 +46826 O O . THR AI 61 1.0159 0.9436 1.0607 0.3332 -0.0533 0.0418 68 THR u O ? ? 1 +46827 N N . GLU AI 62 1.0617 0.9561 1.0788 0.3516 -0.0537 0.0408 69 GLU u N ? ? 1 +46828 C CA . GLU AI 62 1.0890 0.9528 1.0815 0.3475 -0.0514 0.0445 69 GLU u CA ? ? 1 +46829 C CB . GLU AI 62 1.1266 0.9611 1.0939 0.3606 -0.0523 0.0452 69 GLU u CB ? ? 1 +46830 C CG . GLU AI 62 1.1375 0.9780 1.1042 0.3781 -0.0600 0.0450 69 GLU u CG ? ? 1 +46831 C CD . GLU AI 62 1.1370 0.9856 1.1064 0.3780 -0.0644 0.0474 69 GLU u CD ? ? 1 +46832 O OE1 . GLU AI 62 1.1525 0.9824 1.1070 0.3699 -0.0617 0.0509 69 GLU u OE1 ? ? 1 +46833 O OE2 . GLU AI 62 1.1282 1.0019 1.1147 0.3858 -0.0704 0.0459 69 GLU u OE2 ? ? 1 +46834 C C . GLU AI 62 1.0861 0.9405 1.0760 0.3300 -0.0441 0.0452 69 GLU u C ? ? 1 +46835 O O . GLU AI 62 1.0888 0.9325 1.0705 0.3207 -0.0418 0.0481 69 GLU u O ? ? 1 +46836 N N . ARG AI 63 1.0804 0.9397 1.0779 0.3257 -0.0404 0.0423 70 ARG u N ? ? 1 +46837 C CA . ARG AI 63 1.0812 0.9333 1.0777 0.3095 -0.0338 0.0424 70 ARG u CA ? ? 1 +46838 C CB . ARG AI 63 1.0930 0.9455 1.0931 0.3086 -0.0306 0.0390 70 ARG u CB ? ? 1 +46839 C CG . ARG AI 63 1.1043 0.9495 1.1035 0.2920 -0.0241 0.0386 70 ARG u CG ? ? 1 +46840 C CD . ARG AI 63 1.1474 0.9584 1.1211 0.2860 -0.0200 0.0414 70 ARG u CD ? ? 1 +46841 N NE . ARG AI 63 1.1569 0.9645 1.1328 0.2691 -0.0143 0.0409 70 ARG u NE ? ? 1 +46842 C CZ . ARG AI 63 1.1749 0.9675 1.1408 0.2579 -0.0107 0.0435 70 ARG u CZ ? ? 1 +46843 N NH1 . ARG AI 63 1.1983 0.9719 1.1467 0.2617 -0.0115 0.0469 70 ARG u NH1 ? ? 1 +46844 N NH2 . ARG AI 63 1.1642 0.9606 1.1374 0.2426 -0.0062 0.0425 70 ARG u NH2 ? ? 1 +46845 C C . ARG AI 63 1.0436 0.9197 1.0603 0.2968 -0.0333 0.0428 70 ARG u C ? ? 1 +46846 O O . ARG AI 63 1.0417 0.9087 1.0538 0.2837 -0.0291 0.0445 70 ARG u O ? ? 1 +46847 N N . GLN AI 64 1.0100 0.9168 1.0493 0.3008 -0.0375 0.0412 71 GLN u N ? ? 1 +46848 C CA . GLN AI 64 0.9760 0.9065 1.0349 0.2899 -0.0375 0.0415 71 GLN u CA ? ? 1 +46849 C CB . GLN AI 64 0.9547 0.9184 1.0383 0.2961 -0.0420 0.0389 71 GLN u CB ? ? 1 +46850 C CG . GLN AI 64 0.9457 0.9222 1.0421 0.2954 -0.0398 0.0354 71 GLN u CG ? ? 1 +46851 C CD . GLN AI 64 0.9262 0.9340 1.0458 0.3022 -0.0439 0.0328 71 GLN u CD ? ? 1 +46852 O OE1 . GLN AI 64 0.9329 0.9473 1.0542 0.3141 -0.0492 0.0328 71 GLN u OE1 ? ? 1 +46853 N NE2 . GLN AI 64 0.9056 0.9335 1.0436 0.2946 -0.0415 0.0306 71 GLN u NE2 ? ? 1 +46854 C C . GLN AI 64 0.9725 0.8944 1.0225 0.2867 -0.0386 0.0451 71 GLN u C ? ? 1 +46855 O O . GLN AI 64 0.9588 0.8844 1.0139 0.2735 -0.0355 0.0463 71 GLN u O ? ? 1 +46856 N N . LYS AI 65 0.9830 0.8934 1.0196 0.2989 -0.0429 0.0468 72 LYS u N ? ? 1 +46857 C CA . LYS AI 65 0.9860 0.8852 1.0112 0.2970 -0.0440 0.0504 72 LYS u CA ? ? 1 +46858 C CB . LYS AI 65 1.0052 0.8947 1.0173 0.3133 -0.0500 0.0516 72 LYS u CB ? ? 1 +46859 C CG . LYS AI 65 0.9871 0.9050 1.0186 0.3242 -0.0568 0.0493 72 LYS u CG ? ? 1 +46860 C CD . LYS AI 65 1.0096 0.9152 1.0264 0.3411 -0.0626 0.0500 72 LYS u CD ? ? 1 +46861 C CE . LYS AI 65 0.9951 0.9269 1.0301 0.3532 -0.0693 0.0472 72 LYS u CE ? ? 1 +46862 N NZ . LYS AI 65 1.0190 0.9369 1.0379 0.3695 -0.0750 0.0480 72 LYS u NZ ? ? 1 +46863 C C . LYS AI 65 0.9995 0.8701 1.0047 0.2863 -0.0377 0.0529 72 LYS u C ? ? 1 +46864 O O . LYS AI 65 0.9960 0.8637 0.9987 0.2776 -0.0361 0.0553 72 LYS u O ? ? 1 +46865 N N . GLN AI 66 1.0140 0.8635 1.0049 0.2870 -0.0340 0.0521 73 GLN u N ? ? 1 +46866 C CA . GLN AI 66 1.0281 0.8507 1.0010 0.2764 -0.0276 0.0539 73 GLN u CA ? ? 1 +46867 C CB . GLN AI 66 1.0527 0.8517 1.0087 0.2813 -0.0251 0.0528 73 GLN u CB ? ? 1 +46868 C CG . GLN AI 66 1.0846 0.8589 1.0170 0.2952 -0.0279 0.0548 73 GLN u CG ? ? 1 +46869 C CD . GLN AI 66 1.1090 0.8606 1.0253 0.3007 -0.0255 0.0535 73 GLN u CD ? ? 1 +46870 O OE1 . GLN AI 66 1.1092 0.8560 1.0263 0.2915 -0.0205 0.0517 73 GLN u OE1 ? ? 1 +46871 N NE2 . GLN AI 66 1.1322 0.8691 1.0331 0.3159 -0.0293 0.0542 73 GLN u NE2 ? ? 1 +46872 C C . GLN AI 66 1.0025 0.8384 0.9905 0.2591 -0.0229 0.0531 73 GLN u C ? ? 1 +46873 O O . GLN AI 66 1.0055 0.8312 0.9868 0.2484 -0.0192 0.0553 73 GLN u O ? ? 1 +46874 N N . ILE AI 67 0.9761 0.8352 0.9846 0.2567 -0.0230 0.0497 74 ILE u N ? ? 1 +46875 C CA . ILE AI 67 0.9509 0.8251 0.9755 0.2414 -0.0192 0.0486 74 ILE u CA ? ? 1 +46876 C CB . ILE AI 67 0.9312 0.8277 0.9753 0.2418 -0.0197 0.0447 74 ILE u CB ? ? 1 +46877 C CG1 . ILE AI 67 0.9507 0.8290 0.9820 0.2464 -0.0174 0.0428 74 ILE u CG1 ? ? 1 +46878 C CG2 . ILE AI 67 0.9061 0.8205 0.9679 0.2267 -0.0165 0.0436 74 ILE u CG2 ? ? 1 +46879 C CD1 . ILE AI 67 0.9340 0.8331 0.9825 0.2496 -0.0184 0.0390 74 ILE u CD1 ? ? 1 +46880 C C . ILE AI 67 0.9289 0.8203 0.9658 0.2350 -0.0206 0.0504 74 ILE u C ? ? 1 +46881 O O . ILE AI 67 0.9227 0.8130 0.9616 0.2216 -0.0165 0.0513 74 ILE u O ? ? 1 +46882 N N . LEU AI 68 0.9174 0.8248 0.9627 0.2447 -0.0265 0.0508 75 LEU u N ? ? 1 +46883 C CA . LEU AI 68 0.8989 0.8217 0.9547 0.2400 -0.0283 0.0524 75 LEU u CA ? ? 1 +46884 C CB . LEU AI 68 0.8888 0.8313 0.9557 0.2524 -0.0354 0.0519 75 LEU u CB ? ? 1 +46885 C CG . LEU AI 68 0.8633 0.8354 0.9544 0.2548 -0.0379 0.0484 75 LEU u CG ? ? 1 +46886 C CD1 . LEU AI 68 0.8584 0.8462 0.9575 0.2679 -0.0448 0.0479 75 LEU u CD1 ? ? 1 +46887 C CD2 . LEU AI 68 0.8350 0.8288 0.9463 0.2412 -0.0355 0.0476 75 LEU u CD2 ? ? 1 +46888 C C . LEU AI 68 0.9167 0.8159 0.9528 0.2357 -0.0259 0.0561 75 LEU u C ? ? 1 +46889 O O . LEU AI 68 0.9052 0.8107 0.9474 0.2249 -0.0237 0.0574 75 LEU u O ? ? 1 +46890 N N . ARG AI 69 0.9454 0.8172 0.9577 0.2442 -0.0261 0.0579 76 ARG u N ? ? 1 +46891 C CA . ARG AI 69 0.9657 0.8126 0.9572 0.2405 -0.0234 0.0615 76 ARG u CA ? ? 1 +46892 C CB . ARG AI 69 0.9974 0.8163 0.9634 0.2535 -0.0251 0.0631 76 ARG u CB ? ? 1 +46893 C CG . ARG AI 69 0.9987 0.8241 0.9635 0.2672 -0.0324 0.0644 76 ARG u CG ? ? 1 +46894 C CD . ARG AI 69 1.0322 0.8271 0.9692 0.2782 -0.0336 0.0668 76 ARG u CD ? ? 1 +46895 N NE . ARG AI 69 1.0447 0.8316 0.9755 0.2894 -0.0353 0.0649 76 ARG u NE ? ? 1 +46896 C CZ . ARG AI 69 1.0384 0.8406 0.9782 0.3031 -0.0417 0.0629 76 ARG u CZ ? ? 1 +46897 N NH1 . ARG AI 69 1.0182 0.8461 0.9751 0.3072 -0.0474 0.0623 76 ARG u NH1 ? ? 1 +46898 N NH2 . ARG AI 69 1.0529 0.8445 0.9845 0.3130 -0.0425 0.0612 76 ARG u NH2 ? ? 1 +46899 C C . ARG AI 69 0.9691 0.8034 0.9559 0.2244 -0.0158 0.0619 76 ARG u C ? ? 1 +46900 O O . ARG AI 69 0.9697 0.7991 0.9527 0.2158 -0.0130 0.0643 76 ARG u O ? ? 1 +46901 N N . GLU AI 70 0.9710 0.8010 0.9587 0.2205 -0.0124 0.0595 77 GLU u N ? ? 1 +46902 C CA . GLU AI 70 0.9720 0.7930 0.9579 0.2051 -0.0056 0.0593 77 GLU u CA ? ? 1 +46903 C CB . GLU AI 70 0.9749 0.7920 0.9615 0.2038 -0.0033 0.0561 77 GLU u CB ? ? 1 +46904 C CG . GLU AI 70 1.0088 0.7939 0.9701 0.2106 -0.0016 0.0568 77 GLU u CG ? ? 1 +46905 C CD . GLU AI 70 1.0127 0.7927 0.9741 0.2078 0.0012 0.0536 77 GLU u CD ? ? 1 +46906 O OE1 . GLU AI 70 0.9902 0.7910 0.9710 0.1994 0.0022 0.0510 77 GLU u OE1 ? ? 1 +46907 O OE2 . GLU AI 70 1.0402 0.7954 0.9821 0.2142 0.0023 0.0536 77 GLU u OE2 ? ? 1 +46908 C C . GLU AI 70 0.9437 0.7889 0.9508 0.1924 -0.0042 0.0587 77 GLU u C ? ? 1 +46909 O O . GLU AI 70 0.9461 0.7829 0.9499 0.1796 0.0010 0.0596 77 GLU u O ? ? 1 +46910 N N . ASN AI 71 0.9177 0.7928 0.9468 0.1960 -0.0089 0.0572 78 ASN u N ? ? 1 +46911 C CA . ASN AI 71 0.8881 0.7885 0.9393 0.1850 -0.0081 0.0562 78 ASN u CA ? ? 1 +46912 C CB . ASN AI 71 0.8659 0.7908 0.9376 0.1873 -0.0105 0.0527 78 ASN u CB ? ? 1 +46913 C CG . ASN AI 71 0.8725 0.7881 0.9408 0.1832 -0.0068 0.0503 78 ASN u CG ? ? 1 +46914 O OD1 . ASN AI 71 0.8679 0.7817 0.9389 0.1704 -0.0022 0.0496 78 ASN u OD1 ? ? 1 +46915 N ND2 . ASN AI 71 0.8838 0.7931 0.9460 0.1940 -0.0088 0.0489 78 ASN u ND2 ? ? 1 +46916 C C . ASN AI 71 0.8762 0.7905 0.9351 0.1850 -0.0110 0.0582 78 ASN u C ? ? 1 +46917 O O . ASN AI 71 0.8508 0.7877 0.9289 0.1771 -0.0109 0.0574 78 ASN u O ? ? 1 +46918 N N . LEU AI 72 0.8956 0.7960 0.9390 0.1937 -0.0135 0.0609 79 LEU u N ? ? 1 +46919 C CA . LEU AI 72 0.8863 0.7989 0.9357 0.1947 -0.0167 0.0628 79 LEU u CA ? ? 1 +46920 C CB . LEU AI 72 0.9116 0.8052 0.9405 0.2062 -0.0198 0.0656 79 LEU u CB ? ? 1 +46921 C CG . LEU AI 72 0.9186 0.8151 0.9461 0.2228 -0.0262 0.0644 79 LEU u CG ? ? 1 +46922 C CD1 . LEU AI 72 0.9399 0.8208 0.9491 0.2336 -0.0301 0.0673 79 LEU u CD1 ? ? 1 +46923 C CD2 . LEU AI 72 0.8893 0.8199 0.9433 0.2261 -0.0312 0.0616 79 LEU u CD2 ? ? 1 +46924 C C . LEU AI 72 0.8780 0.7920 0.9311 0.1800 -0.0118 0.0641 79 LEU u C ? ? 1 +46925 O O . LEU AI 72 0.8553 0.7915 0.9252 0.1762 -0.0136 0.0639 79 LEU u O ? ? 1 +46926 N N . GLU AI 73 0.8975 0.7881 0.9353 0.1716 -0.0056 0.0652 80 GLU u N ? ? 1 +46927 C CA . GLU AI 73 0.8926 0.7826 0.9329 0.1571 -0.0002 0.0662 80 GLU u CA ? ? 1 +46928 C CB . GLU AI 73 0.9201 0.7809 0.9411 0.1498 0.0066 0.0670 80 GLU u CB ? ? 1 +46929 C CG . GLU AI 73 0.9256 0.7820 0.9473 0.1484 0.0084 0.0641 80 GLU u CG ? ? 1 +46930 C CD . GLU AI 73 0.9493 0.7797 0.9548 0.1389 0.0153 0.0644 80 GLU u CD ? ? 1 +46931 O OE1 . GLU AI 73 0.9456 0.7780 0.9561 0.1257 0.0200 0.0646 80 GLU u OE1 ? ? 1 +46932 O OE2 . GLU AI 73 0.9735 0.7817 0.9617 0.1446 0.0162 0.0644 80 GLU u OE2 ? ? 1 +46933 C C . GLU AI 73 0.8591 0.7768 0.9250 0.1472 0.0005 0.0636 80 GLU u C ? ? 1 +46934 O O . GLU AI 73 0.8470 0.7731 0.9207 0.1376 0.0028 0.0643 80 GLU u O ? ? 1 +46935 N N . HIS AI 74 0.8452 0.7768 0.9238 0.1499 -0.0015 0.0605 81 HIS u N ? ? 1 +46936 C CA . HIS AI 74 0.8155 0.7733 0.9178 0.1419 -0.0014 0.0580 81 HIS u CA ? ? 1 +46937 C CB . HIS AI 74 0.8146 0.7739 0.9211 0.1422 -0.0007 0.0548 81 HIS u CB ? ? 1 +46938 C CG . HIS AI 74 0.8373 0.7708 0.9270 0.1364 0.0047 0.0547 81 HIS u CG ? ? 1 +46939 N ND1 . HIS AI 74 0.8407 0.7657 0.9273 0.1232 0.0102 0.0554 81 HIS u ND1 ? ? 1 +46940 C CE1 . HIS AI 74 0.8623 0.7640 0.9332 0.1211 0.0139 0.0549 81 HIS u CE1 ? ? 1 +46941 N NE2 . HIS AI 74 0.8730 0.7678 0.9367 0.1324 0.0111 0.0540 81 HIS u NE2 ? ? 1 +46942 C CD2 . HIS AI 74 0.8572 0.7724 0.9330 0.1423 0.0053 0.0538 81 HIS u CD2 ? ? 1 +46943 C C . HIS AI 74 0.7897 0.7758 0.9113 0.1469 -0.0069 0.0574 81 HIS u C ? ? 1 +46944 O O . HIS AI 74 0.7652 0.7737 0.9067 0.1405 -0.0070 0.0555 81 HIS u O ? ? 1 +46945 N N . PHE AI 75 0.7961 0.7808 0.9117 0.1584 -0.0117 0.0590 82 PHE u N ? ? 1 +46946 C CA . PHE AI 75 0.7737 0.7841 0.9065 0.1642 -0.0173 0.0583 82 PHE u CA ? ? 1 +46947 C CB . PHE AI 75 0.7819 0.7918 0.9104 0.1799 -0.0229 0.0577 82 PHE u CB ? ? 1 +46948 C CG . PHE AI 75 0.7849 0.7930 0.9138 0.1848 -0.0229 0.0552 82 PHE u CG ? ? 1 +46949 C CD1 . PHE AI 75 0.7714 0.7879 0.9114 0.1761 -0.0195 0.0529 82 PHE u CD1 ? ? 1 +46950 C CD2 . PHE AI 75 0.8021 0.8001 0.9200 0.1985 -0.0264 0.0551 82 PHE u CD2 ? ? 1 +46951 C CE1 . PHE AI 75 0.7753 0.7898 0.9151 0.1808 -0.0194 0.0505 82 PHE u CE1 ? ? 1 +46952 C CE2 . PHE AI 75 0.8055 0.8018 0.9237 0.2033 -0.0262 0.0527 82 PHE u CE2 ? ? 1 +46953 C CZ . PHE AI 75 0.7924 0.7968 0.9214 0.1943 -0.0226 0.0505 82 PHE u CZ ? ? 1 +46954 C C . PHE AI 75 0.7694 0.7832 0.9023 0.1616 -0.0181 0.0607 82 PHE u C ? ? 1 +46955 O O . PHE AI 75 0.7873 0.7803 0.9028 0.1591 -0.0153 0.0633 82 PHE u O ? ? 1 +46956 N N . THR AI 76 0.7460 0.7860 0.8983 0.1621 -0.0219 0.0597 83 THR u N ? ? 1 +46957 C CA . THR AI 76 0.7412 0.7876 0.8954 0.1618 -0.0240 0.0616 83 THR u CA ? ? 1 +46958 C CB . THR AI 76 0.7274 0.7800 0.8896 0.1473 -0.0193 0.0621 83 THR u CB ? ? 1 +46959 O OG1 . THR AI 76 0.7257 0.7807 0.8865 0.1470 -0.0207 0.0642 83 THR u OG1 ? ? 1 +46960 C CG2 . THR AI 76 0.6992 0.7777 0.8853 0.1410 -0.0194 0.0594 83 THR u CG2 ? ? 1 +46961 C C . THR AI 76 0.7240 0.7954 0.8951 0.1700 -0.0306 0.0600 83 THR u C ? ? 1 +46962 O O . THR AI 76 0.7131 0.7975 0.8959 0.1737 -0.0325 0.0575 83 THR u O ? ? 1 +46963 N N . VAL AI 77 0.7231 0.8008 0.8955 0.1725 -0.0340 0.0614 84 VAL u N ? ? 1 +46964 C CA . VAL AI 77 0.7058 0.8095 0.8968 0.1776 -0.0397 0.0597 84 VAL u CA ? ? 1 +46965 C CB . VAL AI 77 0.7173 0.8187 0.9014 0.1926 -0.0463 0.0598 84 VAL u CB ? ? 1 +46966 C CG1 . VAL AI 77 0.7286 0.8219 0.9070 0.2007 -0.0469 0.0583 84 VAL u CG1 ? ? 1 +46967 C CG2 . VAL AI 77 0.7389 0.8201 0.9025 0.1964 -0.0472 0.0628 84 VAL u CG2 ? ? 1 +46968 C C . VAL AI 77 0.6958 0.8110 0.8953 0.1699 -0.0394 0.0608 84 VAL u C ? ? 1 +46969 O O . VAL AI 77 0.7090 0.8090 0.8949 0.1667 -0.0372 0.0633 84 VAL u O ? ? 1 +46970 N N . THR AI 78 0.6754 0.8172 0.8974 0.1669 -0.0414 0.0587 85 THR u N ? ? 1 +46971 C CA . THR AI 78 0.6645 0.8203 0.8966 0.1618 -0.0425 0.0593 85 THR u CA ? ? 1 +46972 C CB . THR AI 78 0.6493 0.8120 0.8914 0.1479 -0.0370 0.0591 85 THR u CB ? ? 1 +46973 O OG1 . THR AI 78 0.6292 0.8111 0.8898 0.1457 -0.0371 0.0563 85 THR u OG1 ? ? 1 +46974 C CG2 . THR AI 78 0.6665 0.8060 0.8927 0.1408 -0.0305 0.0606 85 THR u CG2 ? ? 1 +46975 C C . THR AI 78 0.6526 0.8329 0.9023 0.1688 -0.0487 0.0571 85 THR u C ? ? 1 +46976 O O . THR AI 78 0.6506 0.8377 0.9061 0.1755 -0.0511 0.0552 85 THR u O ? ? 1 +46977 N N . GLU AI 79 0.6481 0.8417 0.9065 0.1668 -0.0512 0.0574 86 GLU u N ? ? 1 +46978 C CA . GLU AI 79 0.6399 0.8569 0.9154 0.1725 -0.0570 0.0553 86 GLU u CA ? ? 1 +46979 C CB . GLU AI 79 0.6375 0.8659 0.9202 0.1687 -0.0589 0.0559 86 GLU u CB ? ? 1 +46980 C CG . GLU AI 79 0.6665 0.8836 0.9344 0.1764 -0.0631 0.0577 86 GLU u CG ? ? 1 +46981 C CD . GLU AI 79 0.6908 0.9097 0.9562 0.1906 -0.0701 0.0565 86 GLU u CD ? ? 1 +46982 O OE1 . GLU AI 79 0.6890 0.9191 0.9649 0.1955 -0.0720 0.0541 86 GLU u OE1 ? ? 1 +46983 O OE2 . GLU AI 79 0.7159 0.9246 0.9682 0.1970 -0.0737 0.0579 86 GLU u OE2 ? ? 1 +46984 C C . GLU AI 79 0.6189 0.8550 0.9137 0.1695 -0.0561 0.0526 86 GLU u C ? ? 1 +46985 O O . GLU AI 79 0.6102 0.8480 0.9103 0.1595 -0.0511 0.0525 86 GLU u O ? ? 1 +46986 N N . VAL AI 80 0.6105 0.8605 0.9152 0.1784 -0.0608 0.0504 87 VAL u N ? ? 1 +46987 C CA . VAL AI 80 0.5888 0.8586 0.9126 0.1763 -0.0603 0.0477 87 VAL u CA ? ? 1 +46988 C CB . VAL AI 80 0.5834 0.8681 0.9172 0.1873 -0.0660 0.0454 87 VAL u CB ? ? 1 +46989 C CG1 . VAL AI 80 0.5604 0.8684 0.9160 0.1838 -0.0653 0.0427 87 VAL u CG1 ? ? 1 +46990 C CG2 . VAL AI 80 0.6045 0.8736 0.9243 0.1977 -0.0673 0.0452 87 VAL u CG2 ? ? 1 +46991 C C . VAL AI 80 0.5671 0.8545 0.9072 0.1658 -0.0587 0.0474 87 VAL u C ? ? 1 +46992 O O . VAL AI 80 0.5592 0.8558 0.9046 0.1658 -0.0617 0.0477 87 VAL u O ? ? 1 +46993 N N . GLU AI 81 0.5580 0.8492 0.9053 0.1572 -0.0539 0.0467 88 GLU u N ? ? 1 +46994 C CA . GLU AI 81 0.5390 0.8477 0.9027 0.1477 -0.0523 0.0461 88 GLU u CA ? ? 1 +46995 C CB . GLU AI 81 0.5408 0.8398 0.9002 0.1365 -0.0462 0.0472 88 GLU u CB ? ? 1 +46996 C CG . GLU AI 81 0.5204 0.8373 0.8967 0.1270 -0.0444 0.0465 88 GLU u CG ? ? 1 +46997 C CD . GLU AI 81 0.5114 0.8421 0.8968 0.1268 -0.0478 0.0467 88 GLU u CD ? ? 1 +46998 O OE1 . GLU AI 81 0.5210 0.8418 0.8964 0.1260 -0.0480 0.0486 88 GLU u OE1 ? ? 1 +46999 O OE2 . GLU AI 81 0.4958 0.8469 0.8981 0.1275 -0.0501 0.0449 88 GLU u OE2 ? ? 1 +47000 C C . GLU AI 81 0.5236 0.8530 0.9056 0.1495 -0.0535 0.0434 88 GLU u C ? ? 1 +47001 O O . GLU AI 81 0.5256 0.8528 0.9079 0.1496 -0.0512 0.0423 88 GLU u O ? ? 1 +47002 N N . THR AI 82 0.5098 0.8588 0.9065 0.1507 -0.0572 0.0423 89 THR u N ? ? 1 +47003 C CA . THR AI 82 0.4926 0.8624 0.9071 0.1531 -0.0588 0.0397 89 THR u CA ? ? 1 +47004 C CB . THR AI 82 0.4792 0.8681 0.9080 0.1523 -0.0624 0.0390 89 THR u CB ? ? 1 +47005 O OG1 . THR AI 82 0.4922 0.8747 0.9121 0.1581 -0.0666 0.0400 89 THR u OG1 ? ? 1 +47006 C CG2 . THR AI 82 0.4678 0.8769 0.9135 0.1563 -0.0646 0.0363 89 THR u CG2 ? ? 1 +47007 C C . THR AI 82 0.4781 0.8537 0.9011 0.1452 -0.0541 0.0388 89 THR u C ? ? 1 +47008 O O . THR AI 82 0.4752 0.8580 0.9050 0.1485 -0.0538 0.0369 89 THR u O ? ? 1 +47009 N N . ALA AI 83 0.4683 0.8407 0.8907 0.1349 -0.0504 0.0401 90 ALA u N ? ? 1 +47010 C CA . ALA AI 83 0.4533 0.8319 0.8841 0.1269 -0.0463 0.0392 90 ALA u CA ? ? 1 +47011 C CB . ALA AI 83 0.4463 0.8236 0.8777 0.1162 -0.0434 0.0406 90 ALA u CB ? ? 1 +47012 C C . ALA AI 83 0.4624 0.8279 0.8841 0.1279 -0.0433 0.0388 90 ALA u C ? ? 1 +47013 O O . ALA AI 83 0.4558 0.8288 0.8858 0.1244 -0.0410 0.0373 90 ALA u O ? ? 1 +47014 N N . LEU AI 84 0.4796 0.8251 0.8839 0.1328 -0.0433 0.0399 91 LEU u N ? ? 1 +47015 C CA . LEU AI 84 0.4895 0.8205 0.8835 0.1338 -0.0405 0.0395 91 LEU u CA ? ? 1 +47016 C CB . LEU AI 84 0.5090 0.8156 0.8832 0.1324 -0.0385 0.0417 91 LEU u CB ? ? 1 +47017 C CG . LEU AI 84 0.5049 0.8061 0.8768 0.1209 -0.0347 0.0431 91 LEU u CG ? ? 1 +47018 C CD1 . LEU AI 84 0.5262 0.8027 0.8779 0.1205 -0.0326 0.0452 91 LEU u CD1 ? ? 1 +47019 C CD2 . LEU AI 84 0.4941 0.8006 0.8738 0.1126 -0.0310 0.0418 91 LEU u CD2 ? ? 1 +47020 C C . LEU AI 84 0.4954 0.8279 0.8892 0.1447 -0.0429 0.0379 91 LEU u C ? ? 1 +47021 O O . LEU AI 84 0.5025 0.8285 0.8924 0.1455 -0.0406 0.0368 91 LEU u O ? ? 1 +47022 N N . VAL AI 85 0.4919 0.8331 0.8899 0.1530 -0.0476 0.0375 92 VAL u N ? ? 1 +47023 C CA . VAL AI 85 0.4987 0.8407 0.8958 0.1641 -0.0503 0.0359 92 VAL u CA ? ? 1 +47024 C CB . VAL AI 85 0.5153 0.8470 0.9005 0.1736 -0.0546 0.0370 92 VAL u CB ? ? 1 +47025 C CG1 . VAL AI 85 0.5356 0.8418 0.9000 0.1715 -0.0524 0.0395 92 VAL u CG1 ? ? 1 +47026 C CG2 . VAL AI 85 0.5050 0.8511 0.8997 0.1747 -0.0589 0.0371 92 VAL u CG2 ? ? 1 +47027 C C . VAL AI 85 0.4802 0.8463 0.8970 0.1667 -0.0520 0.0334 92 VAL u C ? ? 1 +47028 O O . VAL AI 85 0.4849 0.8535 0.9032 0.1746 -0.0530 0.0317 92 VAL u O ? ? 1 +47029 N N . GLU AI 86 0.4597 0.8430 0.8911 0.1603 -0.0523 0.0332 93 GLU u N ? ? 1 +47030 C CA . GLU AI 86 0.4407 0.8466 0.8910 0.1612 -0.0532 0.0310 93 GLU u CA ? ? 1 +47031 C CB . GLU AI 86 0.4236 0.8459 0.8874 0.1553 -0.0547 0.0312 93 GLU u CB ? ? 1 +47032 C CG . GLU AI 86 0.4275 0.8533 0.8913 0.1614 -0.0600 0.0314 93 GLU u CG ? ? 1 +47033 C CD . GLU AI 86 0.4288 0.8656 0.8998 0.1720 -0.0640 0.0292 93 GLU u CD ? ? 1 +47034 O OE1 . GLU AI 86 0.4213 0.8698 0.9032 0.1732 -0.0626 0.0271 93 GLU u OE1 ? ? 1 +47035 O OE2 . GLU AI 86 0.4414 0.8739 0.9061 0.1793 -0.0684 0.0295 93 GLU u OE2 ? ? 1 +47036 C C . GLU AI 86 0.4332 0.8413 0.8878 0.1567 -0.0488 0.0298 93 GLU u C ? ? 1 +47037 O O . GLU AI 86 0.4409 0.8345 0.8852 0.1517 -0.0453 0.0307 93 GLU u O ? ? 1 +47038 N N . GLY AI 87 0.4179 0.8441 0.8876 0.1588 -0.0490 0.0276 94 GLY u N ? ? 1 +47039 C CA . GLY AI 87 0.4091 0.8391 0.8838 0.1554 -0.0450 0.0263 94 GLY u CA ? ? 1 +47040 C C . GLY AI 87 0.4222 0.8374 0.8849 0.1610 -0.0433 0.0256 94 GLY u C ? ? 1 +47041 O O . GLY AI 87 0.4190 0.8340 0.8828 0.1580 -0.0398 0.0246 94 GLY u O ? ? 1 +47042 N N . GLY AI 88 0.4374 0.8402 0.8882 0.1695 -0.0458 0.0260 95 GLY u N ? ? 1 +47043 C CA . GLY AI 88 0.4545 0.8400 0.8912 0.1746 -0.0442 0.0257 95 GLY u CA ? ? 1 +47044 C C . GLY AI 88 0.4608 0.8287 0.8852 0.1662 -0.0402 0.0271 95 GLY u C ? ? 1 +47045 O O . GLY AI 88 0.4707 0.8275 0.8869 0.1671 -0.0376 0.0263 95 GLY u O ? ? 1 +47046 N N . ASP AI 89 0.4557 0.8212 0.8788 0.1581 -0.0399 0.0290 96 ASP u N ? ? 1 +47047 C CA . ASP AI 89 0.4582 0.8110 0.8732 0.1485 -0.0360 0.0301 96 ASP u CA ? ? 1 +47048 C CB . ASP AI 89 0.4461 0.8044 0.8663 0.1393 -0.0359 0.0317 96 ASP u CB ? ? 1 +47049 C CG . ASP AI 89 0.4239 0.8031 0.8622 0.1332 -0.0351 0.0306 96 ASP u CG ? ? 1 +47050 O OD1 . ASP AI 89 0.4177 0.8072 0.8645 0.1356 -0.0345 0.0287 96 ASP u OD1 ? ? 1 +47051 O OD2 . ASP AI 89 0.4139 0.7986 0.8573 0.1260 -0.0350 0.0318 96 ASP u OD2 ? ? 1 +47052 C C . ASP AI 89 0.4809 0.8084 0.8754 0.1510 -0.0349 0.0312 96 ASP u C ? ? 1 +47053 O O . ASP AI 89 0.4870 0.8029 0.8743 0.1442 -0.0313 0.0314 96 ASP u O ? ? 1 +47054 N N . ARG AI 90 0.4940 0.8128 0.8793 0.1606 -0.0379 0.0317 97 ARG u N ? ? 1 +47055 C CA . ARG AI 90 0.5160 0.8102 0.8812 0.1638 -0.0368 0.0327 97 ARG u CA ? ? 1 +47056 C CB . ARG AI 90 0.5299 0.8156 0.8853 0.1737 -0.0407 0.0339 97 ARG u CB ? ? 1 +47057 C CG . ARG AI 90 0.5273 0.8133 0.8817 0.1703 -0.0426 0.0360 97 ARG u CG ? ? 1 +47058 C CD . ARG AI 90 0.5474 0.8177 0.8863 0.1789 -0.0455 0.0376 97 ARG u CD ? ? 1 +47059 N NE . ARG AI 90 0.5693 0.8136 0.8881 0.1780 -0.0425 0.0389 97 ARG u NE ? ? 1 +47060 C CZ . ARG AI 90 0.5922 0.8179 0.8937 0.1857 -0.0442 0.0403 97 ARG u CZ ? ? 1 +47061 N NH1 . ARG AI 90 0.5969 0.8272 0.8986 0.1961 -0.0493 0.0403 97 ARG u NH1 ? ? 1 +47062 N NH2 . ARG AI 90 0.6115 0.8132 0.8950 0.1831 -0.0407 0.0417 97 ARG u NH2 ? ? 1 +47063 C C . ARG AI 90 0.5243 0.8122 0.8854 0.1675 -0.0346 0.0308 97 ARG u C ? ? 1 +47064 O O . ARG AI 90 0.5440 0.8108 0.8887 0.1682 -0.0327 0.0313 97 ARG u O ? ? 1 +47065 N N . TYR AI 91 0.5112 0.8169 0.8866 0.1699 -0.0348 0.0285 98 TYR u N ? ? 1 +47066 C CA . TYR AI 91 0.5175 0.8192 0.8904 0.1732 -0.0325 0.0265 98 TYR u CA ? ? 1 +47067 C CB . TYR AI 91 0.5117 0.8294 0.8957 0.1832 -0.0349 0.0244 98 TYR u CB ? ? 1 +47068 C CG . TYR AI 91 0.5235 0.8363 0.9011 0.1944 -0.0391 0.0249 98 TYR u CG ? ? 1 +47069 C CD1 . TYR AI 91 0.5459 0.8392 0.9069 0.2023 -0.0393 0.0249 98 TYR u CD1 ? ? 1 +47070 C CD2 . TYR AI 91 0.5142 0.8410 0.9014 0.1970 -0.0432 0.0254 98 TYR u CD2 ? ? 1 +47071 C CE1 . TYR AI 91 0.5579 0.8462 0.9123 0.2130 -0.0434 0.0254 98 TYR u CE1 ? ? 1 +47072 C CE2 . TYR AI 91 0.5262 0.8483 0.9070 0.2075 -0.0475 0.0258 98 TYR u CE2 ? ? 1 +47073 C CZ . TYR AI 91 0.5481 0.8510 0.9125 0.2156 -0.0477 0.0258 98 TYR u CZ ? ? 1 +47074 O OH . TYR AI 91 0.5614 0.8597 0.9194 0.2263 -0.0522 0.0262 98 TYR u OH ? ? 1 +47075 C C . TYR AI 91 0.5068 0.8127 0.8855 0.1630 -0.0286 0.0256 98 TYR u C ? ? 1 +47076 O O . TYR AI 91 0.5162 0.8113 0.8873 0.1626 -0.0258 0.0244 98 TYR u O ? ? 1 +47077 N N . ASN AI 92 0.4883 0.8100 0.8805 0.1552 -0.0285 0.0259 99 ASN u N ? ? 1 +47078 C CA . ASN AI 92 0.4777 0.8054 0.8767 0.1457 -0.0252 0.0251 99 ASN u CA ? ? 1 +47079 C CB . ASN AI 92 0.4675 0.8104 0.8782 0.1490 -0.0245 0.0227 99 ASN u CB ? ? 1 +47080 C CG . ASN AI 92 0.4577 0.8048 0.8734 0.1401 -0.0212 0.0217 99 ASN u CG ? ? 1 +47081 O OD1 . ASN AI 92 0.4494 0.7987 0.8683 0.1307 -0.0204 0.0227 99 ASN u OD1 ? ? 1 +47082 N ND2 . ASN AI 92 0.4596 0.8073 0.8755 0.1430 -0.0194 0.0197 99 ASN u ND2 ? ? 1 +47083 C C . ASN AI 92 0.4631 0.8020 0.8719 0.1372 -0.0258 0.0264 99 ASN u C ? ? 1 +47084 O O . ASN AI 92 0.4484 0.8054 0.8708 0.1388 -0.0279 0.0263 99 ASN u O ? ? 1 +47085 N N . ASN AI 93 0.4684 0.7966 0.8703 0.1284 -0.0237 0.0277 100 ASN u N ? ? 1 +47086 C CA . ASN AI 93 0.4578 0.7942 0.8671 0.1206 -0.0241 0.0291 100 ASN u CA ? ? 1 +47087 C CB . ASN AI 93 0.4712 0.7899 0.8667 0.1179 -0.0238 0.0313 100 ASN u CB ? ? 1 +47088 C CG . ASN AI 93 0.4841 0.7841 0.8667 0.1125 -0.0203 0.0312 100 ASN u CG ? ? 1 +47089 O OD1 . ASN AI 93 0.4830 0.7829 0.8667 0.1100 -0.0183 0.0294 100 ASN u OD1 ? ? 1 +47090 N ND2 . ASN AI 93 0.4979 0.7813 0.8676 0.1105 -0.0196 0.0329 100 ASN u ND2 ? ? 1 +47091 C C . ASN AI 93 0.4455 0.7914 0.8644 0.1107 -0.0217 0.0283 100 ASN u C ? ? 1 +47092 O O . ASN AI 93 0.4380 0.7863 0.8599 0.1028 -0.0211 0.0295 100 ASN u O ? ? 1 +47093 N N A GLY AI 94 0.4437 0.7944 0.8666 0.1114 -0.0202 0.0263 101 GLY u N ? ? 1 +47094 N N B GLY AI 94 0.4439 0.7952 0.8672 0.1116 -0.0203 0.0263 101 GLY u N ? ? 1 +47095 C CA A GLY AI 94 0.4312 0.7918 0.8634 0.1032 -0.0183 0.0254 101 GLY u CA ? ? 1 +47096 C CA B GLY AI 94 0.4319 0.7928 0.8643 0.1034 -0.0184 0.0254 101 GLY u CA ? ? 1 +47097 C C A GLY AI 94 0.4405 0.7866 0.8632 0.0955 -0.0155 0.0251 101 GLY u C ? ? 1 +47098 C C B GLY AI 94 0.4417 0.7880 0.8645 0.0956 -0.0156 0.0252 101 GLY u C ? ? 1 +47099 O O A GLY AI 94 0.4314 0.7840 0.8603 0.0888 -0.0140 0.0241 101 GLY u O ? ? 1 +47100 O O B GLY AI 94 0.4316 0.7847 0.8610 0.0881 -0.0142 0.0244 101 GLY u O ? ? 1 +47101 N N A LEU AI 95 0.4605 0.7869 0.8679 0.0966 -0.0149 0.0258 102 LEU u N ? ? 1 +47102 N N B LEU AI 95 0.4632 0.7896 0.8705 0.0973 -0.0150 0.0257 102 LEU u N ? ? 1 +47103 C CA A LEU AI 95 0.4715 0.7829 0.8691 0.0893 -0.0123 0.0254 102 LEU u CA ? ? 1 +47104 C CA B LEU AI 95 0.4751 0.7861 0.8723 0.0901 -0.0123 0.0254 102 LEU u CA ? ? 1 +47105 C C A LEU AI 95 0.4871 0.7853 0.8740 0.0938 -0.0109 0.0237 102 LEU u C ? ? 1 +47106 C C B LEU AI 95 0.4905 0.7886 0.8772 0.0944 -0.0110 0.0236 102 LEU u C ? ? 1 +47107 O O A LEU AI 95 0.5008 0.7889 0.8785 0.1021 -0.0117 0.0240 102 LEU u O ? ? 1 +47108 O O B LEU AI 95 0.5037 0.7930 0.8821 0.1031 -0.0118 0.0237 102 LEU u O ? ? 1 +47109 C CB A LEU AI 95 0.4833 0.7798 0.8701 0.0864 -0.0118 0.0274 102 LEU u CB ? ? 1 +47110 C CB B LEU AI 95 0.4874 0.7835 0.8736 0.0874 -0.0120 0.0274 102 LEU u CB ? ? 1 +47111 C CG A LEU AI 95 0.4720 0.7766 0.8664 0.0783 -0.0118 0.0288 102 LEU u CG ? ? 1 +47112 C CG B LEU AI 95 0.4763 0.7804 0.8702 0.0792 -0.0119 0.0287 102 LEU u CG ? ? 1 +47113 C CD1 A LEU AI 95 0.4582 0.7799 0.8644 0.0821 -0.0146 0.0298 102 LEU u CD1 ? ? 1 +47114 C CD1 B LEU AI 95 0.4624 0.7839 0.8683 0.0828 -0.0147 0.0298 102 LEU u CD1 ? ? 1 +47115 C CD2 A LEU AI 95 0.4863 0.7733 0.8680 0.0743 -0.0103 0.0304 102 LEU u CD2 ? ? 1 +47116 C CD2 B LEU AI 95 0.4913 0.7776 0.8723 0.0753 -0.0104 0.0304 102 LEU u CD2 ? ? 1 +47117 N N A TYR AI 96 0.4862 0.7844 0.8742 0.0884 -0.0090 0.0218 103 TYR u N ? ? 1 +47118 N N B TYR AI 96 0.4901 0.7875 0.8776 0.0884 -0.0090 0.0218 103 TYR u N ? ? 1 +47119 C CA A TYR AI 96 0.5022 0.7865 0.8793 0.0910 -0.0075 0.0200 103 TYR u CA ? ? 1 +47120 C CA B TYR AI 96 0.5059 0.7897 0.8827 0.0905 -0.0073 0.0199 103 TYR u CA ? ? 1 +47121 C C A TYR AI 96 0.5145 0.7833 0.8820 0.0821 -0.0053 0.0197 103 TYR u C ? ? 1 +47122 C C B TYR AI 96 0.5172 0.7879 0.8863 0.0806 -0.0052 0.0196 103 TYR u C ? ? 1 +47123 O O A TYR AI 96 0.5245 0.7822 0.8843 0.0799 -0.0050 0.0214 103 TYR u O ? ? 1 +47124 O O B TYR AI 96 0.5224 0.7871 0.8882 0.0763 -0.0050 0.0213 103 TYR u O ? ? 1 +47125 C CB A TYR AI 96 0.4916 0.7886 0.8775 0.0927 -0.0071 0.0179 103 TYR u CB ? ? 1 +47126 C CB B TYR AI 96 0.4944 0.7912 0.8801 0.0928 -0.0071 0.0178 103 TYR u CB ? ? 1 +47127 C CG A TYR AI 96 0.4812 0.7936 0.8770 0.1014 -0.0089 0.0181 103 TYR u CG ? ? 1 +47128 C CG B TYR AI 96 0.4829 0.7950 0.8785 0.1014 -0.0090 0.0182 103 TYR u CG ? ? 1 +47129 C CD1 A TYR AI 96 0.4921 0.7984 0.8815 0.1118 -0.0096 0.0177 103 TYR u CD1 ? ? 1 +47130 C CD1 B TYR AI 96 0.4931 0.7994 0.8825 0.1118 -0.0096 0.0178 103 TYR u CD1 ? ? 1 +47131 C CD2 A TYR AI 96 0.4605 0.7934 0.8722 0.0991 -0.0100 0.0186 103 TYR u CD2 ? ? 1 +47132 C CD2 B TYR AI 96 0.4616 0.7939 0.8728 0.0990 -0.0101 0.0188 103 TYR u CD2 ? ? 1 +47133 C CE1 A TYR AI 96 0.4834 0.8046 0.8827 0.1196 -0.0112 0.0177 103 TYR u CE1 ? ? 1 +47134 C CE1 B TYR AI 96 0.4837 0.8050 0.8830 0.1195 -0.0114 0.0178 103 TYR u CE1 ? ? 1 +47135 C CE2 A TYR AI 96 0.4523 0.7995 0.8734 0.1066 -0.0115 0.0186 103 TYR u CE2 ? ? 1 +47136 C CE2 B TYR AI 96 0.4529 0.7994 0.8736 0.1064 -0.0118 0.0189 103 TYR u CE2 ? ? 1 +47137 C CZ A TYR AI 96 0.4633 0.8051 0.8787 0.1168 -0.0122 0.0180 103 TYR u CZ ? ? 1 +47138 C CZ B TYR AI 96 0.4636 0.8050 0.8787 0.1166 -0.0124 0.0184 103 TYR u CZ ? ? 1 +47139 O OH A TYR AI 96 0.4546 0.8113 0.8802 0.1241 -0.0137 0.0178 103 TYR u OH ? ? 1 +47140 O OH B TYR AI 96 0.4545 0.8108 0.8799 0.1238 -0.0141 0.0182 103 TYR u OH ? ? 1 +47141 N N A LYS AI 97 0.5158 0.7840 0.8837 0.0769 -0.0039 0.0175 104 LYS u N ? ? 1 +47142 N N B LYS AI 97 0.5235 0.7902 0.8902 0.0768 -0.0037 0.0173 104 LYS u N ? ? 1 +47143 C CA A LYS AI 97 0.5230 0.7804 0.8851 0.0670 -0.0021 0.0169 104 LYS u CA ? ? 1 +47144 C CA B LYS AI 97 0.5303 0.7875 0.8923 0.0667 -0.0020 0.0166 104 LYS u CA ? ? 1 +47145 C C A LYS AI 97 0.5053 0.7791 0.8814 0.0585 -0.0025 0.0170 104 LYS u C ? ? 1 +47146 C C B LYS AI 97 0.5129 0.7874 0.8894 0.0585 -0.0024 0.0165 104 LYS u C ? ? 1 +47147 O O A LYS AI 97 0.4895 0.7810 0.8781 0.0607 -0.0040 0.0179 104 LYS u O ? ? 1 +47148 O O B LYS AI 97 0.5006 0.7901 0.8874 0.0596 -0.0031 0.0155 104 LYS u O ? ? 1 +47149 C CB A LYS AI 97 0.5360 0.7815 0.8892 0.0661 -0.0005 0.0142 104 LYS u CB ? ? 1 +47150 C CB B LYS AI 97 0.5446 0.7892 0.8971 0.0661 -0.0004 0.0139 104 LYS u CB ? ? 1 +47151 C CG A LYS AI 97 0.5588 0.7834 0.8953 0.0726 0.0003 0.0141 104 LYS u CG ? ? 1 +47152 C CG B LYS AI 97 0.5677 0.7915 0.9036 0.0725 0.0004 0.0140 104 LYS u CG ? ? 1 +47153 C CD A LYS AI 97 0.5735 0.7798 0.8981 0.0677 0.0018 0.0153 104 LYS u CD ? ? 1 +47154 C CD B LYS AI 97 0.5820 0.7878 0.9064 0.0670 0.0019 0.0151 104 LYS u CD ? ? 1 +47155 C CE A LYS AI 97 0.5973 0.7813 0.9043 0.0735 0.0029 0.0149 104 LYS u CE ? ? 1 +47156 C CE B LYS AI 97 0.6060 0.7894 0.9127 0.0727 0.0030 0.0148 104 LYS u CE ? ? 1 +47157 N NZ A LYS AI 97 0.6129 0.7779 0.9077 0.0676 0.0048 0.0159 104 LYS u NZ ? ? 1 +47158 N NZ B LYS AI 97 0.6212 0.7861 0.9162 0.0663 0.0050 0.0157 104 LYS u NZ ? ? 1 +47159 O OXT A LYS AI 97 0.5075 0.7772 0.8826 0.0495 -0.0013 0.0161 104 LYS u OXT ? ? 1 +47160 O OXT B LYS AI 97 0.5126 0.7861 0.8904 0.0511 -0.0019 0.0175 104 LYS u OXT ? ? 1 +47161 N N . ALA AJ 1 0.8526 0.9040 1.1237 -0.1260 0.0134 -0.0577 1 ALA v N ? ? 1 +47162 C CA . ALA AJ 1 0.8647 0.8987 1.1203 -0.1168 0.0164 -0.0540 1 ALA v CA ? ? 1 +47163 C CB . ALA AJ 1 0.8495 0.8958 1.1114 -0.1085 0.0170 -0.0482 1 ALA v CB ? ? 1 +47164 C C . ALA AJ 1 0.8762 0.9006 1.1200 -0.1094 0.0142 -0.0561 1 ALA v C ? ? 1 +47165 O O . ALA AJ 1 0.8597 0.8978 1.1101 -0.1067 0.0100 -0.0580 1 ALA v O ? ? 1 +47166 N N . GLU AJ 2 0.9047 0.9051 1.1307 -0.1062 0.0172 -0.0557 2 GLU v N ? ? 1 +47167 C CA . GLU AJ 2 0.9236 0.9116 1.1364 -0.0992 0.0158 -0.0578 2 GLU v CA ? ? 1 +47168 C CB . GLU AJ 2 0.9609 0.9313 1.1641 -0.1081 0.0161 -0.0633 2 GLU v CB ? ? 1 +47169 C CG . GLU AJ 2 0.9718 0.9523 1.1807 -0.1113 0.0113 -0.0685 2 GLU v CG ? ? 1 +47170 C CD . GLU AJ 2 1.0063 0.9743 1.2105 -0.1228 0.0111 -0.0744 2 GLU v CD ? ? 1 +47171 O OE1 . GLU AJ 2 1.0245 0.9771 1.2226 -0.1297 0.0151 -0.0744 2 GLU v OE1 ? ? 1 +47172 O OE2 . GLU AJ 2 1.0229 0.9961 1.2293 -0.1250 0.0070 -0.0790 2 GLU v OE2 ? ? 1 +47173 C C . GLU AJ 2 0.9252 0.8985 1.1241 -0.0880 0.0185 -0.0537 2 GLU v C ? ? 1 +47174 O O . GLU AJ 2 0.9222 0.8895 1.1185 -0.0872 0.0219 -0.0498 2 GLU v O ? ? 1 +47175 N N . LEU AJ 3 0.9253 0.8930 1.1153 -0.0791 0.0170 -0.0547 3 LEU v N ? ? 1 +47176 C CA . LEU AJ 3 0.9333 0.8858 1.1090 -0.0680 0.0192 -0.0517 3 LEU v CA ? ? 1 +47177 C CB . LEU AJ 3 0.9213 0.8816 1.0965 -0.0572 0.0164 -0.0520 3 LEU v CB ? ? 1 +47178 C CG . LEU AJ 3 0.9248 0.8762 1.0898 -0.0442 0.0181 -0.0484 3 LEU v CG ? ? 1 +47179 C CD1 . LEU AJ 3 0.9074 0.8709 1.0812 -0.0402 0.0191 -0.0430 3 LEU v CD1 ? ? 1 +47180 C CD2 . LEU AJ 3 0.9218 0.8791 1.0853 -0.0348 0.0157 -0.0496 3 LEU v CD2 ? ? 1 +47181 C C . LEU AJ 3 0.9662 0.8900 1.1235 -0.0719 0.0221 -0.0540 3 LEU v C ? ? 1 +47182 O O . LEU AJ 3 0.9792 0.8918 1.1268 -0.0711 0.0210 -0.0579 3 LEU v O ? ? 1 +47183 N N . THR AJ 4 0.9807 0.8925 1.1334 -0.0764 0.0259 -0.0518 4 THR v N ? ? 1 +47184 C CA . THR AJ 4 1.0115 0.8964 1.1479 -0.0821 0.0292 -0.0539 4 THR v CA ? ? 1 +47185 C CB . THR AJ 4 1.0120 0.8945 1.1527 -0.0933 0.0325 -0.0529 4 THR v CB ? ? 1 +47186 O OG1 . THR AJ 4 1.0082 0.8919 1.1489 -0.0873 0.0349 -0.0471 4 THR v OG1 ? ? 1 +47187 C CG2 . THR AJ 4 0.9923 0.8971 1.1525 -0.1037 0.0301 -0.0554 4 THR v CG2 ? ? 1 +47188 C C . THR AJ 4 1.0410 0.9043 1.1587 -0.0712 0.0316 -0.0513 4 THR v C ? ? 1 +47189 O O . THR AJ 4 1.0424 0.9131 1.1613 -0.0599 0.0310 -0.0474 4 THR v O ? ? 1 +47190 N N . PRO AJ 5 1.0751 0.9113 1.1749 -0.0739 0.0342 -0.0535 5 PRO v N ? ? 1 +47191 C CA . PRO AJ 5 1.0978 0.9117 1.1789 -0.0639 0.0369 -0.0508 5 PRO v CA ? ? 1 +47192 C CB . PRO AJ 5 1.1254 0.9118 1.1899 -0.0713 0.0394 -0.0547 5 PRO v CB ? ? 1 +47193 C CG . PRO AJ 5 1.1174 0.9142 1.1918 -0.0819 0.0365 -0.0604 5 PRO v CG ? ? 1 +47194 C CD . PRO AJ 5 1.0890 0.9145 1.1855 -0.0864 0.0346 -0.0590 5 PRO v CD ? ? 1 +47195 C C . PRO AJ 5 1.0976 0.9100 1.1780 -0.0600 0.0397 -0.0449 5 PRO v C ? ? 1 +47196 O O . PRO AJ 5 1.1001 0.9054 1.1715 -0.0480 0.0402 -0.0416 5 PRO v O ? ? 1 +47197 N N . GLU AJ 6 1.0948 0.9145 1.1849 -0.0700 0.0414 -0.0438 6 GLU v N ? ? 1 +47198 C CA . GLU AJ 6 1.0968 0.9159 1.1868 -0.0674 0.0441 -0.0384 6 GLU v CA ? ? 1 +47199 C CB . GLU AJ 6 1.1010 0.9278 1.2021 -0.0807 0.0463 -0.0383 6 GLU v CB ? ? 1 +47200 C CG . GLU AJ 6 1.1402 0.9465 1.2320 -0.0932 0.0498 -0.0418 6 GLU v CG ? ? 1 +47201 C CD . GLU AJ 6 1.1563 0.9659 1.2526 -0.1014 0.0473 -0.0482 6 GLU v CD ? ? 1 +47202 O OE1 . GLU AJ 6 1.1534 0.9867 1.2682 -0.1073 0.0444 -0.0501 6 GLU v OE1 ? ? 1 +47203 O OE2 . GLU AJ 6 1.1837 0.9722 1.2649 -0.1019 0.0480 -0.0513 6 GLU v OE2 ? ? 1 +47204 C C . GLU AJ 6 1.0672 0.9072 1.1675 -0.0557 0.0413 -0.0346 6 GLU v C ? ? 1 +47205 O O . GLU AJ 6 1.0758 0.9085 1.1679 -0.0457 0.0423 -0.0305 6 GLU v O ? ? 1 +47206 N N . VAL AJ 7 1.0306 0.8963 1.1487 -0.0571 0.0376 -0.0361 7 VAL v N ? ? 1 +47207 C CA . VAL AJ 7 0.9959 0.8832 1.1254 -0.0471 0.0347 -0.0331 7 VAL v CA ? ? 1 +47208 C CB . VAL AJ 7 0.9690 0.8832 1.1184 -0.0523 0.0311 -0.0354 7 VAL v CB ? ? 1 +47209 C CG1 . VAL AJ 7 0.9472 0.8821 1.1067 -0.0414 0.0279 -0.0333 7 VAL v CG1 ? ? 1 +47210 C CG2 . VAL AJ 7 0.9579 0.8829 1.1199 -0.0636 0.0323 -0.0348 7 VAL v CG2 ? ? 1 +47211 C C . VAL AJ 7 0.9938 0.8733 1.1124 -0.0334 0.0336 -0.0326 7 VAL v C ? ? 1 +47212 O O . VAL AJ 7 0.9903 0.8766 1.1105 -0.0230 0.0330 -0.0287 7 VAL v O ? ? 1 +47213 N N . LEU AJ 8 0.9992 0.8647 1.1069 -0.0334 0.0332 -0.0366 8 LEU v N ? ? 1 +47214 C CA . LEU AJ 8 1.0004 0.8585 1.0979 -0.0208 0.0322 -0.0367 8 LEU v CA ? ? 1 +47215 C CB . LEU AJ 8 1.0061 0.8600 1.0998 -0.0237 0.0306 -0.0423 8 LEU v CB ? ? 1 +47216 C CG . LEU AJ 8 0.9802 0.8594 1.0914 -0.0274 0.0269 -0.0447 8 LEU v CG ? ? 1 +47217 C CD1 . LEU AJ 8 0.9915 0.8632 1.0960 -0.0294 0.0253 -0.0501 8 LEU v CD1 ? ? 1 +47218 C CD2 . LEU AJ 8 0.9579 0.8586 1.0802 -0.0167 0.0247 -0.0417 8 LEU v CD2 ? ? 1 +47219 C C . LEU AJ 8 1.0183 0.8500 1.0958 -0.0137 0.0353 -0.0346 8 LEU v C ? ? 1 +47220 O O . LEU AJ 8 1.0235 0.8459 1.0905 -0.0035 0.0348 -0.0351 8 LEU v O ? ? 1 +47221 N N . THR AJ 9 1.0263 0.8454 1.0980 -0.0191 0.0384 -0.0322 9 THR v N ? ? 1 +47222 C CA . THR AJ 9 1.0492 0.8431 1.1018 -0.0125 0.0414 -0.0296 9 THR v CA ? ? 1 +47223 C CB . THR AJ 9 1.0711 0.8434 1.1130 -0.0239 0.0454 -0.0304 9 THR v CB ? ? 1 +47224 O OG1 . THR AJ 9 1.0823 0.8481 1.1220 -0.0328 0.0451 -0.0358 9 THR v OG1 ? ? 1 +47225 C CG2 . THR AJ 9 1.0982 0.8416 1.1182 -0.0174 0.0486 -0.0278 9 THR v CG2 ? ? 1 +47226 C C . THR AJ 9 1.0358 0.8396 1.0928 -0.0029 0.0409 -0.0242 9 THR v C ? ? 1 +47227 O O . THR AJ 9 1.0176 0.8346 1.0859 -0.0078 0.0413 -0.0218 9 THR v O ? ? 1 +47228 N N . VAL AJ 10 1.0431 0.8401 1.0907 0.0110 0.0402 -0.0226 10 VAL v N ? ? 1 +47229 C CA . VAL AJ 10 1.0313 0.8391 1.0835 0.0216 0.0390 -0.0180 10 VAL v CA ? ? 1 +47230 C CB . VAL AJ 10 1.0062 0.8394 1.0732 0.0297 0.0353 -0.0184 10 VAL v CB ? ? 1 +47231 C CG1 . VAL AJ 10 0.9801 0.8392 1.0679 0.0203 0.0335 -0.0197 10 VAL v CG1 ? ? 1 +47232 C CG2 . VAL AJ 10 1.0169 0.8418 1.0751 0.0368 0.0344 -0.0217 10 VAL v CG2 ? ? 1 +47233 C C . VAL AJ 10 1.0591 0.8422 1.0911 0.0318 0.0407 -0.0157 10 VAL v C ? ? 1 +47234 O O . VAL AJ 10 1.0861 0.8467 1.1018 0.0328 0.0422 -0.0180 10 VAL v O ? ? 1 +47235 N N . PRO AJ 11 1.0570 0.8429 1.0889 0.0398 0.0405 -0.0111 11 PRO v N ? ? 1 +47236 C CA . PRO AJ 11 1.0822 0.8465 1.0955 0.0512 0.0414 -0.0088 11 PRO v CA ? ? 1 +47237 C CB . PRO AJ 11 1.0686 0.8438 1.0881 0.0566 0.0404 -0.0039 11 PRO v CB ? ? 1 +47238 C CG . PRO AJ 11 1.0439 0.8401 1.0818 0.0449 0.0403 -0.0037 11 PRO v CG ? ? 1 +47239 C CD . PRO AJ 11 1.0307 0.8401 1.0798 0.0380 0.0391 -0.0081 11 PRO v CD ? ? 1 +47240 C C . PRO AJ 11 1.0937 0.8566 1.1021 0.0638 0.0394 -0.0106 11 PRO v C ? ? 1 +47241 O O . PRO AJ 11 1.0686 0.8545 1.0912 0.0698 0.0364 -0.0109 11 PRO v O ? ? 1 +47242 N N . LEU AJ 12 1.1347 0.8699 1.1224 0.0677 0.0413 -0.0117 12 LEU v N ? ? 1 +47243 C CA . LEU AJ 12 1.1540 0.8834 1.1337 0.0804 0.0400 -0.0133 12 LEU v CA ? ? 1 +47244 C CB . LEU AJ 12 1.1853 0.8836 1.1436 0.0780 0.0427 -0.0162 12 LEU v CB ? ? 1 +47245 C CG . LEU AJ 12 1.2004 0.8889 1.1483 0.0893 0.0420 -0.0187 12 LEU v CG ? ? 1 +47246 C CD1 . LEU AJ 12 1.2091 0.8940 1.1501 0.1057 0.0408 -0.0156 12 LEU v CD1 ? ? 1 +47247 C CD2 . LEU AJ 12 1.1786 0.8895 1.1415 0.0888 0.0396 -0.0222 12 LEU v CD2 ? ? 1 +47248 C C . LEU AJ 12 1.1680 0.8969 1.1434 0.0954 0.0386 -0.0095 12 LEU v C ? ? 1 +47249 O O . LEU AJ 12 1.1594 0.9020 1.1412 0.1062 0.0361 -0.0099 12 LEU v O ? ? 1 +47250 N N . ASN AJ 13 1.1963 0.9093 1.1605 0.0958 0.0402 -0.0059 13 ASN v N ? ? 1 +47251 C CA . ASN AJ 13 1.2183 0.9278 1.1761 0.1097 0.0388 -0.0023 13 ASN v CA ? ? 1 +47252 C CB . ASN AJ 13 1.2481 0.9267 1.1817 0.1183 0.0403 -0.0027 13 ASN v CB ? ? 1 +47253 C CG . ASN AJ 13 1.2709 0.9205 1.1867 0.1082 0.0444 -0.0031 13 ASN v CG ? ? 1 +47254 O OD1 . ASN AJ 13 1.2709 0.9165 1.1862 0.0997 0.0464 -0.0008 13 ASN v OD1 ? ? 1 +47255 N ND2 . ASN AJ 13 1.2936 0.9222 1.1947 0.1084 0.0461 -0.0063 13 ASN v ND2 ? ? 1 +47256 C C . ASN AJ 13 1.2395 0.9499 1.1987 0.1062 0.0395 0.0021 13 ASN v C ? ? 1 +47257 O O . ASN AJ 13 1.2409 0.9548 1.2063 0.0929 0.0413 0.0021 13 ASN v O ? ? 1 +47258 N N . SER AJ 14 1.2729 0.9806 1.2266 0.1184 0.0379 0.0055 14 SER v N ? ? 1 +47259 C CA . SER AJ 14 1.2924 0.9983 1.2446 0.1170 0.0383 0.0098 14 SER v CA ? ? 1 +47260 C CB . SER AJ 14 1.2927 1.0056 1.2453 0.1327 0.0348 0.0127 14 SER v CB ? ? 1 +47261 O OG . SER AJ 14 1.3210 1.0145 1.2568 0.1445 0.0345 0.0119 14 SER v OG ? ? 1 +47262 C C . SER AJ 14 1.3422 1.0159 1.2727 0.1112 0.0425 0.0113 14 SER v C ? ? 1 +47263 O O . SER AJ 14 1.3382 1.0095 1.2677 0.1063 0.0439 0.0144 14 SER v O ? ? 1 +47264 N N . GLU AJ 15 1.3981 1.0466 1.3109 0.1118 0.0447 0.0090 15 GLU v N ? ? 1 +47265 C CA . GLU AJ 15 1.4484 1.0646 1.3396 0.1059 0.0491 0.0100 15 GLU v CA ? ? 1 +47266 C CB . GLU AJ 15 1.4950 1.0839 1.3652 0.1130 0.0502 0.0079 15 GLU v CB ? ? 1 +47267 C CG . GLU AJ 15 1.5143 1.1017 1.3783 0.1316 0.0469 0.0089 15 GLU v CG ? ? 1 +47268 C CD . GLU AJ 15 1.5489 1.1181 1.3963 0.1413 0.0469 0.0134 15 GLU v CD ? ? 1 +47269 O OE1 . GLU AJ 15 1.5622 1.1270 1.4074 0.1344 0.0488 0.0165 15 GLU v OE1 ? ? 1 +47270 O OE2 . GLU AJ 15 1.5661 1.1245 1.4019 0.1558 0.0451 0.0137 15 GLU v OE2 ? ? 1 +47271 C C . GLU AJ 15 1.4460 1.0607 1.3417 0.0875 0.0527 0.0082 15 GLU v C ? ? 1 +47272 O O . GLU AJ 15 1.4752 1.0648 1.3549 0.0805 0.0569 0.0089 15 GLU v O ? ? 1 +47273 N N . GLY AJ 16 1.4166 1.0577 1.3337 0.0797 0.0512 0.0055 16 GLY v N ? ? 1 +47274 C CA . GLY AJ 16 1.3988 1.0442 1.3243 0.0626 0.0540 0.0039 16 GLY v CA ? ? 1 +47275 C C . GLY AJ 16 1.3911 1.0326 1.3170 0.0538 0.0550 -0.0013 16 GLY v C ? ? 1 +47276 O O . GLY AJ 16 1.3979 1.0488 1.3348 0.0400 0.0562 -0.0033 16 GLY v O ? ? 1 +47277 N N . LYS AJ 17 1.3808 1.0091 1.2952 0.0619 0.0542 -0.0037 17 LYS v N ? ? 1 +47278 C CA . LYS AJ 17 1.3699 0.9930 1.2831 0.0543 0.0550 -0.0088 17 LYS v CA ? ? 1 +47279 C CB . LYS AJ 17 1.4037 1.0067 1.2996 0.0648 0.0547 -0.0108 17 LYS v CB ? ? 1 +47280 C CG . LYS AJ 17 1.4327 1.0188 1.3200 0.0541 0.0571 -0.0157 17 LYS v CG ? ? 1 +47281 C CD . LYS AJ 17 1.4619 1.0279 1.3324 0.0627 0.0571 -0.0184 17 LYS v CD ? ? 1 +47282 C CE . LYS AJ 17 1.4728 1.0312 1.3413 0.0512 0.0583 -0.0238 17 LYS v CE ? ? 1 +47283 N NZ . LYS AJ 17 1.5091 1.0360 1.3540 0.0558 0.0602 -0.0259 17 LYS v NZ ? ? 1 +47284 C C . LYS AJ 17 1.3119 0.9673 1.2491 0.0499 0.0519 -0.0115 17 LYS v C ? ? 1 +47285 O O . LYS AJ 17 1.2882 0.9667 1.2391 0.0583 0.0485 -0.0099 17 LYS v O ? ? 1 +47286 N N . THR AJ 18 1.2816 0.9380 1.2237 0.0366 0.0530 -0.0154 18 THR v N ? ? 1 +47287 C CA . THR AJ 18 1.2312 0.9161 1.1948 0.0309 0.0502 -0.0182 18 THR v CA ? ? 1 +47288 C CB . THR AJ 18 1.2192 0.9116 1.1935 0.0143 0.0519 -0.0190 18 THR v CB ? ? 1 +47289 O OG1 . THR AJ 18 1.2410 0.9124 1.2040 0.0040 0.0547 -0.0228 18 THR v OG1 ? ? 1 +47290 C CG2 . THR AJ 18 1.2173 0.9083 1.1917 0.0121 0.0541 -0.0143 18 THR v CG2 ? ? 1 +47291 C C . THR AJ 18 1.2175 0.8996 1.1782 0.0321 0.0488 -0.0232 18 THR v C ? ? 1 +47292 O O . THR AJ 18 1.2400 0.8965 1.1822 0.0337 0.0507 -0.0250 18 THR v O ? ? 1 +47293 N N . ILE AJ 19 1.1816 0.8901 1.1604 0.0317 0.0456 -0.0251 19 ILE v N ? ? 1 +47294 C CA . ILE AJ 19 1.1758 0.8856 1.1549 0.0306 0.0442 -0.0301 19 ILE v CA ? ? 1 +47295 C CB . ILE AJ 19 1.1685 0.8875 1.1487 0.0459 0.0416 -0.0300 19 ILE v CB ? ? 1 +47296 C CG1 . ILE AJ 19 1.1788 0.8930 1.1542 0.0465 0.0407 -0.0351 19 ILE v CG1 ? ? 1 +47297 C CG2 . ILE AJ 19 1.1354 0.8865 1.1368 0.0501 0.0387 -0.0277 19 ILE v CG2 ? ? 1 +47298 C CD1 . ILE AJ 19 1.1594 0.8965 1.1522 0.0380 0.0384 -0.0385 19 ILE v CD1 ? ? 1 +47299 C C . ILE AJ 19 1.1486 0.8808 1.1469 0.0180 0.0427 -0.0325 19 ILE v C ? ? 1 +47300 O O . ILE AJ 19 1.1251 0.8783 1.1393 0.0156 0.0417 -0.0299 19 ILE v O ? ? 1 +47301 N N . THR AJ 20 1.1499 0.8766 1.1460 0.0099 0.0425 -0.0375 20 THR v N ? ? 1 +47302 C CA . THR AJ 20 1.1266 0.8744 1.1404 -0.0011 0.0405 -0.0403 20 THR v CA ? ? 1 +47303 C CB . THR AJ 20 1.1343 0.8676 1.1431 -0.0162 0.0427 -0.0436 20 THR v CB ? ? 1 +47304 O OG1 . THR AJ 20 1.1392 0.8601 1.1421 -0.0203 0.0462 -0.0402 20 THR v OG1 ? ? 1 +47305 C CG2 . THR AJ 20 1.1120 0.8673 1.1393 -0.0275 0.0404 -0.0466 20 THR v CG2 ? ? 1 +47306 C C . THR AJ 20 1.1203 0.8819 1.1402 0.0043 0.0372 -0.0434 20 THR v C ? ? 1 +47307 O O . THR AJ 20 1.1372 0.8833 1.1444 0.0071 0.0374 -0.0467 20 THR v O ? ? 1 +47308 N N . LEU AJ 21 1.1009 0.8913 1.1400 0.0060 0.0345 -0.0422 21 LEU v N ? ? 1 +47309 C CA . LEU AJ 21 1.0946 0.9005 1.1411 0.0111 0.0315 -0.0447 21 LEU v CA ? ? 1 +47310 C CB . LEU AJ 21 1.0664 0.9009 1.1312 0.0171 0.0294 -0.0413 21 LEU v CB ? ? 1 +47311 C CG . LEU AJ 21 1.0652 0.8993 1.1278 0.0281 0.0303 -0.0362 21 LEU v CG ? ? 1 +47312 C CD1 . LEU AJ 21 1.0370 0.8998 1.1193 0.0305 0.0283 -0.0332 21 LEU v CD1 ? ? 1 +47313 C CD2 . LEU AJ 21 1.0820 0.9046 1.1320 0.0418 0.0306 -0.0364 21 LEU v CD2 ? ? 1 +47314 C C . LEU AJ 21 1.0996 0.9107 1.1520 -0.0009 0.0299 -0.0496 21 LEU v C ? ? 1 +47315 O O . LEU AJ 21 1.0918 0.9059 1.1510 -0.0129 0.0304 -0.0502 21 LEU v O ? ? 1 +47316 N N . THR AJ 22 1.1149 0.9275 1.1650 0.0027 0.0281 -0.0533 22 THR v N ? ? 1 +47317 C CA . THR AJ 22 1.1232 0.9441 1.1802 -0.0069 0.0257 -0.0580 22 THR v CA ? ? 1 +47318 C CB . THR AJ 22 1.1414 0.9514 1.1868 -0.0022 0.0249 -0.0623 22 THR v CB ? ? 1 +47319 O OG1 . THR AJ 22 1.1364 0.9597 1.1859 0.0104 0.0237 -0.0607 22 THR v OG1 ? ? 1 +47320 C CG2 . THR AJ 22 1.1700 0.9485 1.1932 0.0001 0.0277 -0.0636 22 THR v CG2 ? ? 1 +47321 C C . THR AJ 22 1.1033 0.9556 1.1819 -0.0077 0.0229 -0.0567 22 THR v C ? ? 1 +47322 O O . THR AJ 22 1.0918 0.9578 1.1777 0.0013 0.0227 -0.0528 22 THR v O ? ? 1 +47323 N N . GLU AJ 23 1.1092 0.9723 1.1976 -0.0185 0.0206 -0.0600 23 GLU v N ? ? 1 +47324 C CA . GLU AJ 23 1.0926 0.9843 1.2003 -0.0195 0.0176 -0.0594 23 GLU v CA ? ? 1 +47325 C CB . GLU AJ 23 1.1066 1.0051 1.2220 -0.0326 0.0152 -0.0639 23 GLU v CB ? ? 1 +47326 C CG . GLU AJ 23 1.0960 1.0234 1.2315 -0.0351 0.0119 -0.0634 23 GLU v CG ? ? 1 +47327 C CD . GLU AJ 23 1.1064 1.0413 1.2513 -0.0488 0.0098 -0.0669 23 GLU v CD ? ? 1 +47328 O OE1 . GLU AJ 23 1.1304 1.0481 1.2660 -0.0567 0.0104 -0.0707 23 GLU v OE1 ? ? 1 +47329 O OE2 . GLU AJ 23 1.1093 1.0673 1.2710 -0.0517 0.0074 -0.0661 23 GLU v OE2 ? ? 1 +47330 C C . GLU AJ 23 1.0771 0.9781 1.1852 -0.0077 0.0162 -0.0594 23 GLU v C ? ? 1 +47331 O O . GLU AJ 23 1.0491 0.9712 1.1704 -0.0027 0.0151 -0.0565 23 GLU v O ? ? 1 +47332 N N . LYS AJ 24 1.0970 0.9814 1.1902 -0.0031 0.0166 -0.0625 24 LYS v N ? ? 1 +47333 C CA . LYS AJ 24 1.0955 0.9866 1.1876 0.0079 0.0157 -0.0629 24 LYS v CA ? ? 1 +47334 C CB . LYS AJ 24 1.1343 1.0043 1.2089 0.0091 0.0160 -0.0677 24 LYS v CB ? ? 1 +47335 C CG . LYS AJ 24 1.1483 1.0277 1.2241 0.0143 0.0141 -0.0704 24 LYS v CG ? ? 1 +47336 C CD . LYS AJ 24 1.1720 1.0470 1.2395 0.0291 0.0159 -0.0691 24 LYS v CD ? ? 1 +47337 C CE . LYS AJ 24 1.1600 1.0601 1.2418 0.0369 0.0151 -0.0663 24 LYS v CE ? ? 1 +47338 N NZ . LYS AJ 24 1.1765 1.0718 1.2499 0.0505 0.0169 -0.0661 24 LYS v NZ ? ? 1 +47339 C C . LYS AJ 24 1.0758 0.9703 1.1681 0.0206 0.0175 -0.0582 24 LYS v C ? ? 1 +47340 O O . LYS AJ 24 1.0543 0.9669 1.1560 0.0279 0.0166 -0.0566 24 LYS v O ? ? 1 +47341 N N . GLN AJ 25 1.0757 0.9526 1.1574 0.0232 0.0201 -0.0559 25 GLN v N ? ? 1 +47342 C CA . GLN AJ 25 1.0608 0.9402 1.1425 0.0349 0.0215 -0.0514 25 GLN v CA ? ? 1 +47343 C CB . GLN AJ 25 1.0819 0.9374 1.1489 0.0362 0.0242 -0.0495 25 GLN v CB ? ? 1 +47344 C CG . GLN AJ 25 1.1074 0.9372 1.1539 0.0421 0.0259 -0.0520 25 GLN v CG ? ? 1 +47345 C CD . GLN AJ 25 1.1271 0.9348 1.1600 0.0436 0.0285 -0.0495 25 GLN v CD ? ? 1 +47346 O OE1 . GLN AJ 25 1.1203 0.9317 1.1553 0.0512 0.0292 -0.0452 25 GLN v OE1 ? ? 1 +47347 N NE2 . GLN AJ 25 1.1547 0.9386 1.1733 0.0365 0.0301 -0.0521 25 GLN v NE2 ? ? 1 +47348 C C . GLN AJ 25 1.0244 0.9291 1.1253 0.0344 0.0203 -0.0474 25 GLN v C ? ? 1 +47349 O O . GLN AJ 25 1.0159 0.9351 1.1240 0.0440 0.0199 -0.0451 25 GLN v O ? ? 1 +47350 N N . TYR AJ 26 1.0032 0.9129 1.1121 0.0232 0.0200 -0.0468 26 TYR v N ? ? 1 +47351 C CA . TYR AJ 26 0.9664 0.8996 1.0934 0.0215 0.0188 -0.0433 26 TYR v CA ? ? 1 +47352 C CB . TYR AJ 26 0.9540 0.8895 1.0879 0.0078 0.0187 -0.0436 26 TYR v CB ? ? 1 +47353 C CG . TYR AJ 26 0.9218 0.8832 1.0753 0.0054 0.0172 -0.0408 26 TYR v CG ? ? 1 +47354 C CD1 . TYR AJ 26 0.9111 0.8786 1.0694 0.0104 0.0181 -0.0360 26 TYR v CD1 ? ? 1 +47355 C CD2 . TYR AJ 26 0.9028 0.8826 1.0697 -0.0011 0.0145 -0.0429 26 TYR v CD2 ? ? 1 +47356 C CE1 . TYR AJ 26 0.8847 0.8757 1.0607 0.0085 0.0167 -0.0335 26 TYR v CE1 ? ? 1 +47357 C CE2 . TYR AJ 26 0.8763 0.8794 1.0607 -0.0028 0.0131 -0.0403 26 TYR v CE2 ? ? 1 +47358 C CZ . TYR AJ 26 0.8668 0.8754 1.0557 0.0018 0.0143 -0.0357 26 TYR v CZ ? ? 1 +47359 O OH . TYR AJ 26 0.8423 0.8735 1.0482 0.0000 0.0129 -0.0333 26 TYR v OH ? ? 1 +47360 C C . TYR AJ 26 0.9435 0.9004 1.0842 0.0247 0.0164 -0.0440 26 TYR v C ? ? 1 +47361 O O . TYR AJ 26 0.9253 0.8983 1.0757 0.0319 0.0160 -0.0407 26 TYR v O ? ? 1 +47362 N N . LEU AJ 27 0.9453 0.9040 1.0864 0.0189 0.0147 -0.0482 27 LEU v N ? ? 1 +47363 C CA . LEU AJ 27 0.9283 0.9083 1.0814 0.0207 0.0124 -0.0491 27 LEU v CA ? ? 1 +47364 C CB . LEU AJ 27 0.9292 0.9078 1.0809 0.0124 0.0103 -0.0541 27 LEU v CB ? ? 1 +47365 C CG . LEU AJ 27 0.9214 0.9090 1.0837 -0.0007 0.0084 -0.0553 27 LEU v CG ? ? 1 +47366 C CD1 . LEU AJ 27 0.8953 0.9061 1.0757 -0.0015 0.0075 -0.0515 27 LEU v CD1 ? ? 1 +47367 C CD2 . LEU AJ 27 0.9412 0.9102 1.0952 -0.0091 0.0099 -0.0563 27 LEU v CD2 ? ? 1 +47368 C C . LEU AJ 27 0.9314 0.9136 1.0809 0.0340 0.0132 -0.0483 27 LEU v C ? ? 1 +47369 O O . LEU AJ 27 0.9108 0.9135 1.0726 0.0384 0.0122 -0.0467 27 LEU v O ? ? 1 +47370 N N . GLU AJ 28 0.9598 0.9209 1.0926 0.0403 0.0151 -0.0495 28 GLU v N ? ? 1 +47371 C CA . GLU AJ 28 0.9723 0.9333 1.1004 0.0533 0.0162 -0.0490 28 GLU v CA ? ? 1 +47372 C CB . GLU AJ 28 1.0170 0.9506 1.1242 0.0573 0.0180 -0.0517 28 GLU v CB ? ? 1 +47373 C CG . GLU AJ 28 1.0405 0.9718 1.1407 0.0690 0.0191 -0.0532 28 GLU v CG ? ? 1 +47374 C CD . GLU AJ 28 1.0513 0.9962 1.1575 0.0681 0.0176 -0.0560 28 GLU v CD ? ? 1 +47375 O OE1 . GLU AJ 28 1.0677 1.0089 1.1720 0.0586 0.0160 -0.0595 28 GLU v OE1 ? ? 1 +47376 O OE2 . GLU AJ 28 1.0591 1.0182 1.1719 0.0769 0.0181 -0.0548 28 GLU v OE2 ? ? 1 +47377 C C . GLU AJ 28 0.9528 0.9243 1.0886 0.0614 0.0170 -0.0441 28 GLU v C ? ? 1 +47378 O O . GLU AJ 28 0.9425 0.9291 1.0861 0.0696 0.0170 -0.0428 28 GLU v O ? ? 1 +47379 N N . GLY AJ 29 0.9501 0.9138 1.0841 0.0585 0.0178 -0.0415 29 GLY v N ? ? 1 +47380 C CA . GLY AJ 29 0.9323 0.9057 1.0737 0.0649 0.0182 -0.0369 29 GLY v CA ? ? 1 +47381 C C . GLY AJ 29 0.9002 0.9015 1.0618 0.0629 0.0164 -0.0348 29 GLY v C ? ? 1 +47382 O O . GLY AJ 29 0.8880 0.9023 1.0574 0.0712 0.0164 -0.0320 29 GLY v O ? ? 1 +47383 N N . LYS AJ 30 0.8867 0.8969 1.0568 0.0518 0.0149 -0.0363 30 LYS v N ? ? 1 +47384 C CA . LYS AJ 30 0.8552 0.8911 1.0439 0.0491 0.0131 -0.0347 30 LYS v CA ? ? 1 +47385 C CB . LYS AJ 30 0.8503 0.8909 1.0453 0.0359 0.0115 -0.0367 30 LYS v CB ? ? 1 +47386 C CG . LYS AJ 30 0.8261 0.8921 1.0400 0.0324 0.0096 -0.0348 30 LYS v CG ? ? 1 +47387 C CD . LYS AJ 30 0.8224 0.8928 1.0425 0.0198 0.0079 -0.0369 30 LYS v CD ? ? 1 +47388 C CE . LYS AJ 30 0.8028 0.8970 1.0410 0.0166 0.0063 -0.0347 30 LYS v CE ? ? 1 +47389 N NZ . LYS AJ 30 0.8028 0.9006 1.0473 0.0043 0.0047 -0.0364 30 LYS v NZ ? ? 1 +47390 C C . LYS AJ 30 0.8382 0.8881 1.0324 0.0568 0.0127 -0.0354 30 LYS v C ? ? 1 +47391 O O . LYS AJ 30 0.8185 0.8868 1.0250 0.0614 0.0123 -0.0327 30 LYS v O ? ? 1 +47392 N N . ARG AJ 31 0.8464 0.8869 1.0310 0.0579 0.0129 -0.0391 31 ARG v N ? ? 1 +47393 C CA . ARG AJ 31 0.8372 0.8890 1.0253 0.0644 0.0129 -0.0403 31 ARG v CA ? ? 1 +47394 C CB . ARG AJ 31 0.8625 0.9001 1.0377 0.0630 0.0129 -0.0450 31 ARG v CB ? ? 1 +47395 C CG . ARG AJ 31 0.8637 0.9131 1.0424 0.0681 0.0129 -0.0466 31 ARG v CG ? ? 1 +47396 C CD . ARG AJ 31 0.8895 0.9227 1.0534 0.0684 0.0132 -0.0511 31 ARG v CD ? ? 1 +47397 N NE . ARG AJ 31 0.9177 0.9339 1.0676 0.0780 0.0157 -0.0516 31 ARG v NE ? ? 1 +47398 C CZ . ARG AJ 31 0.9225 0.9440 1.0730 0.0895 0.0177 -0.0505 31 ARG v CZ ? ? 1 +47399 N NH1 . ARG AJ 31 0.9047 0.9485 1.0695 0.0930 0.0177 -0.0484 31 ARG v NH1 ? ? 1 +47400 N NH2 . ARG AJ 31 0.9417 0.9458 1.0780 0.0977 0.0198 -0.0515 31 ARG v NH2 ? ? 1 +47401 C C . ARG AJ 31 0.8283 0.8821 1.0155 0.0774 0.0147 -0.0381 31 ARG v C ? ? 1 +47402 O O . ARG AJ 31 0.8109 0.8830 1.0091 0.0826 0.0147 -0.0368 31 ARG v O ? ? 1 +47403 N N . LEU AJ 32 0.8394 0.8739 1.0132 0.0825 0.0162 -0.0379 32 LEU v N ? ? 1 +47404 C CA . LEU AJ 32 0.8359 0.8698 1.0073 0.0952 0.0177 -0.0360 32 LEU v CA ? ? 1 +47405 C CB . LEU AJ 32 0.8603 0.8679 1.0132 0.0991 0.0192 -0.0369 32 LEU v CB ? ? 1 +47406 C CG . LEU AJ 32 0.8780 0.8693 1.0165 0.0999 0.0202 -0.0411 32 LEU v CG ? ? 1 +47407 C CD1 . LEU AJ 32 0.9049 0.8685 1.0251 0.0998 0.0213 -0.0420 32 LEU v CD1 ? ? 1 +47408 C CD2 . LEU AJ 32 0.8781 0.8755 1.0165 0.1115 0.0215 -0.0419 32 LEU v CD2 ? ? 1 +47409 C C . LEU AJ 32 0.8137 0.8637 0.9984 0.0981 0.0171 -0.0317 32 LEU v C ? ? 1 +47410 O O . LEU AJ 32 0.8058 0.8675 0.9969 0.1074 0.0177 -0.0303 32 LEU v O ? ? 1 +47411 N N . PHE AJ 33 0.8051 0.8552 0.9937 0.0899 0.0161 -0.0299 33 PHE v N ? ? 1 +47412 C CA . PHE AJ 33 0.7854 0.8513 0.9872 0.0907 0.0152 -0.0260 33 PHE v CA ? ? 1 +47413 C CB . PHE AJ 33 0.7833 0.8438 0.9855 0.0806 0.0146 -0.0246 33 PHE v CB ? ? 1 +47414 C CG . PHE AJ 33 0.7639 0.8392 0.9786 0.0809 0.0137 -0.0206 33 PHE v CG ? ? 1 +47415 C CD1 . PHE AJ 33 0.7691 0.8380 0.9794 0.0881 0.0141 -0.0178 33 PHE v CD1 ? ? 1 +47416 C CD2 . PHE AJ 33 0.7402 0.8360 0.9709 0.0743 0.0122 -0.0197 33 PHE v CD2 ? ? 1 +47417 C CE1 . PHE AJ 33 0.7529 0.8353 0.9743 0.0884 0.0131 -0.0144 33 PHE v CE1 ? ? 1 +47418 C CE2 . PHE AJ 33 0.7236 0.8327 0.9655 0.0746 0.0114 -0.0162 33 PHE v CE2 ? ? 1 +47419 C CZ . PHE AJ 33 0.7301 0.8325 0.9673 0.0815 0.0118 -0.0136 33 PHE v CZ ? ? 1 +47420 C C . PHE AJ 33 0.7612 0.8531 0.9805 0.0902 0.0142 -0.0254 33 PHE v C ? ? 1 +47421 O O . PHE AJ 33 0.7496 0.8560 0.9789 0.0965 0.0140 -0.0228 33 PHE v O ? ? 1 +47422 N N . GLN AJ 34 0.7542 0.8518 0.9772 0.0826 0.0133 -0.0277 34 GLN v N ? ? 1 +47423 C CA . GLN AJ 34 0.7319 0.8525 0.9698 0.0821 0.0125 -0.0274 34 GLN v CA ? ? 1 +47424 C CB . GLN AJ 34 0.7322 0.8551 0.9718 0.0720 0.0111 -0.0301 34 GLN v CB ? ? 1 +47425 C CG . GLN AJ 34 0.7326 0.8564 0.9772 0.0612 0.0096 -0.0292 34 GLN v CG ? ? 1 +47426 C CD . GLN AJ 34 0.7344 0.8604 0.9810 0.0510 0.0078 -0.0320 34 GLN v CD ? ? 1 +47427 O OE1 . GLN AJ 34 0.7396 0.8666 0.9836 0.0517 0.0075 -0.0348 34 GLN v OE1 ? ? 1 +47428 N NE2 . GLN AJ 34 0.7330 0.8595 0.9840 0.0415 0.0066 -0.0315 34 GLN v NE2 ? ? 1 +47429 C C . GLN AJ 34 0.7296 0.8559 0.9676 0.0929 0.0140 -0.0280 34 GLN v C ? ? 1 +47430 O O . GLN AJ 34 0.7163 0.8616 0.9670 0.0968 0.0140 -0.0262 34 GLN v O ? ? 1 +47431 N N . TYR AJ 35 0.7444 0.8540 0.9680 0.0977 0.0155 -0.0306 35 TYR v N ? ? 1 +47432 C CA . TYR AJ 35 0.7437 0.8570 0.9660 0.1079 0.0173 -0.0317 35 TYR v CA ? ? 1 +47433 C CB . TYR AJ 35 0.7691 0.8606 0.9733 0.1101 0.0186 -0.0353 35 TYR v CB ? ? 1 +47434 C CG . TYR AJ 35 0.7800 0.8680 0.9782 0.1225 0.0210 -0.0361 35 TYR v CG ? ? 1 +47435 C CD1 . TYR AJ 35 0.7736 0.8740 0.9770 0.1269 0.0224 -0.0374 35 TYR v CD1 ? ? 1 +47436 C CD2 . TYR AJ 35 0.7994 0.8712 0.9863 0.1299 0.0220 -0.0358 35 TYR v CD2 ? ? 1 +47437 C CE1 . TYR AJ 35 0.7841 0.8816 0.9823 0.1383 0.0249 -0.0384 35 TYR v CE1 ? ? 1 +47438 C CE2 . TYR AJ 35 0.8105 0.8791 0.9920 0.1416 0.0242 -0.0368 35 TYR v CE2 ? ? 1 +47439 C CZ . TYR AJ 35 0.8027 0.8845 0.9902 0.1458 0.0257 -0.0381 35 TYR v CZ ? ? 1 +47440 O OH . TYR AJ 35 0.8131 0.8919 0.9955 0.1575 0.0282 -0.0393 35 TYR v OH ? ? 1 +47441 C C . TYR AJ 35 0.7332 0.8533 0.9605 0.1182 0.0182 -0.0289 35 TYR v C ? ? 1 +47442 O O . TYR AJ 35 0.7200 0.8572 0.9578 0.1236 0.0189 -0.0281 35 TYR v O ? ? 1 +47443 N N . ALA AJ 36 0.7376 0.8446 0.9576 0.1204 0.0179 -0.0274 36 ALA v N ? ? 1 +47444 C CA . ALA AJ 36 0.7344 0.8430 0.9553 0.1315 0.0186 -0.0254 36 ALA v CA ? ? 1 +47445 C CB . ALA AJ 36 0.7594 0.8435 0.9618 0.1374 0.0197 -0.0267 36 ALA v CB ? ? 1 +47446 C C . ALA AJ 36 0.7169 0.8349 0.9475 0.1307 0.0169 -0.0216 36 ALA v C ? ? 1 +47447 O O . ALA AJ 36 0.7155 0.8394 0.9499 0.1397 0.0169 -0.0199 36 ALA v O ? ? 1 +47448 N N . CYS AJ 37 0.7035 0.8228 0.9380 0.1201 0.0155 -0.0205 37 CYS v N ? ? 1 +47449 C CA . CYS AJ 37 0.6923 0.8159 0.9326 0.1191 0.0141 -0.0171 37 CYS v CA ? ? 1 +47450 C CB . CYS AJ 37 0.7077 0.8092 0.9343 0.1143 0.0141 -0.0168 37 CYS v CB ? ? 1 +47451 S SG . CYS AJ 37 0.7359 0.8096 0.9406 0.1217 0.0159 -0.0190 37 CYS v SG ? ? 1 +47452 C C . CYS AJ 37 0.6681 0.8117 0.9248 0.1113 0.0126 -0.0152 37 CYS v C ? ? 1 +47453 O O . CYS AJ 37 0.6591 0.8130 0.9245 0.1135 0.0115 -0.0124 37 CYS v O ? ? 1 +47454 N N . ALA AJ 38 0.6588 0.8073 0.9193 0.1023 0.0123 -0.0170 38 ALA v N ? ? 1 +47455 C CA . ALA AJ 38 0.6373 0.8012 0.9112 0.0935 0.0107 -0.0155 38 ALA v CA ? ? 1 +47456 C CB . ALA AJ 38 0.6363 0.7995 0.9097 0.0840 0.0103 -0.0181 38 ALA v CB ? ? 1 +47457 C C . ALA AJ 38 0.6140 0.8018 0.9044 0.0974 0.0102 -0.0136 38 ALA v C ? ? 1 +47458 O O . ALA AJ 38 0.5992 0.7992 0.9007 0.0924 0.0089 -0.0114 38 ALA v O ? ? 1 +47459 N N . SER AJ 39 0.6112 0.8052 0.9032 0.1060 0.0114 -0.0145 39 SER v N ? ? 1 +47460 C CA . SER AJ 39 0.5905 0.8067 0.8980 0.1099 0.0113 -0.0129 39 SER v CA ? ? 1 +47461 C CB . SER AJ 39 0.5947 0.8140 0.9012 0.1199 0.0132 -0.0144 39 SER v CB ? ? 1 +47462 O OG . SER AJ 39 0.6095 0.8168 0.9069 0.1289 0.0137 -0.0142 39 SER v OG ? ? 1 +47463 C C . SER AJ 39 0.5815 0.8042 0.8959 0.1122 0.0099 -0.0097 39 SER v C ? ? 1 +47464 O O . SER AJ 39 0.5635 0.8043 0.8921 0.1101 0.0089 -0.0079 39 SER v O ? ? 1 +47465 N N . CYS AJ 40 0.5950 0.8022 0.8988 0.1165 0.0097 -0.0089 40 CYS v N ? ? 1 +47466 C CA . CYS AJ 40 0.5895 0.7994 0.8972 0.1181 0.0082 -0.0060 40 CYS v CA ? ? 1 +47467 C CB . CYS AJ 40 0.6015 0.8036 0.9022 0.1299 0.0084 -0.0055 40 CYS v CB ? ? 1 +47468 S SG . CYS AJ 40 0.5934 0.8126 0.9039 0.1409 0.0094 -0.0066 40 CYS v SG ? ? 1 +47469 C C . CYS AJ 40 0.5937 0.7920 0.8957 0.1093 0.0074 -0.0048 40 CYS v C ? ? 1 +47470 O O . CYS AJ 40 0.5836 0.7898 0.8931 0.1067 0.0061 -0.0023 40 CYS v O ? ? 1 +47471 N N . HIS AJ 41 0.6094 0.7890 0.8982 0.1046 0.0084 -0.0067 41 HIS v N ? ? 1 +47472 C CA . HIS AJ 41 0.6181 0.7836 0.8992 0.0974 0.0082 -0.0057 41 HIS v CA ? ? 1 +47473 C CB . HIS AJ 41 0.6430 0.7836 0.9055 0.1017 0.0094 -0.0066 41 HIS v CB ? ? 1 +47474 C CG . HIS AJ 41 0.6509 0.7869 0.9087 0.1130 0.0092 -0.0049 41 HIS v CG ? ? 1 +47475 N ND1 . HIS AJ 41 0.6464 0.7850 0.9072 0.1142 0.0079 -0.0018 41 HIS v ND1 ? ? 1 +47476 C CE1 . HIS AJ 41 0.6566 0.7895 0.9114 0.1253 0.0077 -0.0011 41 HIS v CE1 ? ? 1 +47477 N NE2 . HIS AJ 41 0.6670 0.7939 0.9154 0.1313 0.0089 -0.0036 41 HIS v NE2 ? ? 1 +47478 C CD2 . HIS AJ 41 0.6635 0.7919 0.9133 0.1234 0.0099 -0.0060 41 HIS v CD2 ? ? 1 +47479 C C . HIS AJ 41 0.6136 0.7796 0.8972 0.0849 0.0081 -0.0070 41 HIS v C ? ? 1 +47480 O O . HIS AJ 41 0.6245 0.7760 0.8997 0.0785 0.0085 -0.0070 41 HIS v O ? ? 1 +47481 N N . VAL AJ 42 0.5980 0.7807 0.8931 0.0813 0.0075 -0.0080 42 VAL v N ? ? 1 +47482 C CA . VAL AJ 42 0.5924 0.7779 0.8914 0.0699 0.0069 -0.0092 42 VAL v CA ? ? 1 +47483 C CB . VAL AJ 42 0.5721 0.7796 0.8860 0.0678 0.0060 -0.0095 42 VAL v CB ? ? 1 +47484 C CG1 . VAL AJ 42 0.5545 0.7802 0.8821 0.0713 0.0051 -0.0065 42 VAL v CG1 ? ? 1 +47485 C CG2 . VAL AJ 42 0.5662 0.7765 0.8840 0.0563 0.0050 -0.0110 42 VAL v CG2 ? ? 1 +47486 C C . VAL AJ 42 0.5909 0.7731 0.8911 0.0625 0.0065 -0.0073 42 VAL v C ? ? 1 +47487 O O . VAL AJ 42 0.5815 0.7728 0.8891 0.0644 0.0058 -0.0044 42 VAL v O ? ? 1 +47488 N N . GLY AJ 43 0.6011 0.7700 0.8936 0.0540 0.0070 -0.0090 43 GLY v N ? ? 1 +47489 C CA . GLY AJ 43 0.5996 0.7652 0.8933 0.0459 0.0070 -0.0076 43 GLY v CA ? ? 1 +47490 C C . GLY AJ 43 0.6116 0.7643 0.8967 0.0498 0.0080 -0.0050 43 GLY v C ? ? 1 +47491 O O . GLY AJ 43 0.6101 0.7616 0.8969 0.0440 0.0082 -0.0033 43 GLY v O ? ? 1 +47492 N N . GLY AJ 44 0.6245 0.7673 0.9000 0.0599 0.0086 -0.0047 44 GLY v N ? ? 1 +47493 C CA . GLY AJ 44 0.6382 0.7663 0.9033 0.0645 0.0094 -0.0025 44 GLY v CA ? ? 1 +47494 C C . GLY AJ 44 0.6282 0.7678 0.9006 0.0716 0.0082 0.0008 44 GLY v C ? ? 1 +47495 O O . GLY AJ 44 0.6402 0.7679 0.9039 0.0755 0.0085 0.0029 44 GLY v O ? ? 1 +47496 N N A ILE AJ 45 0.6073 0.7694 0.8953 0.0732 0.0067 0.0014 45 ILE v N ? ? 1 +47497 N N B ILE AJ 45 0.6085 0.7705 0.8964 0.0734 0.0067 0.0013 45 ILE v N ? ? 1 +47498 C CA A ILE AJ 45 0.5971 0.7716 0.8930 0.0808 0.0053 0.0040 45 ILE v CA ? ? 1 +47499 C CA B ILE AJ 45 0.5989 0.7733 0.8946 0.0809 0.0053 0.0040 45 ILE v CA ? ? 1 +47500 C C A ILE AJ 45 0.6013 0.7769 0.8950 0.0926 0.0051 0.0032 45 ILE v C ? ? 1 +47501 C C B ILE AJ 45 0.6018 0.7777 0.8957 0.0926 0.0051 0.0031 45 ILE v C ? ? 1 +47502 O O A ILE AJ 45 0.6146 0.7783 0.8984 0.0950 0.0063 0.0009 45 ILE v O ? ? 1 +47503 O O B ILE AJ 45 0.6140 0.7789 0.8986 0.0950 0.0063 0.0008 45 ILE v O ? ? 1 +47504 C CB A ILE AJ 45 0.5728 0.7707 0.8868 0.0760 0.0039 0.0050 45 ILE v CB ? ? 1 +47505 C CB B ILE AJ 45 0.5759 0.7738 0.8898 0.0762 0.0039 0.0050 45 ILE v CB ? ? 1 +47506 C CG1 A ILE AJ 45 0.5616 0.7734 0.8846 0.0748 0.0037 0.0027 45 ILE v CG1 ? ? 1 +47507 C CG1 B ILE AJ 45 0.5667 0.7782 0.8893 0.0758 0.0038 0.0027 45 ILE v CG1 ? ? 1 +47508 C CG2 A ILE AJ 45 0.5692 0.7653 0.8849 0.0651 0.0042 0.0059 45 ILE v CG2 ? ? 1 +47509 C CG2 B ILE AJ 45 0.5717 0.7684 0.8878 0.0652 0.0042 0.0057 45 ILE v CG2 ? ? 1 +47510 C CD1 A ILE AJ 45 0.5401 0.7748 0.8797 0.0751 0.0024 0.0040 45 ILE v CD1 ? ? 1 +47511 C CD1 B ILE AJ 45 0.5470 0.7809 0.8858 0.0759 0.0024 0.0039 45 ILE v CD1 ? ? 1 +47512 N N . THR AJ 46 0.5907 0.7804 0.8935 0.0998 0.0036 0.0050 46 THR v N ? ? 1 +47513 C CA . THR AJ 46 0.5912 0.7864 0.8954 0.1109 0.0034 0.0042 46 THR v CA ? ? 1 +47514 C CB . THR AJ 46 0.6081 0.7891 0.9007 0.1203 0.0030 0.0053 46 THR v CB ? ? 1 +47515 O OG1 . THR AJ 46 0.6288 0.7856 0.9044 0.1172 0.0044 0.0048 46 THR v OG1 ? ? 1 +47516 C CG2 . THR AJ 46 0.6117 0.7964 0.9044 0.1320 0.0030 0.0041 46 THR v CG2 ? ? 1 +47517 C C . THR AJ 46 0.5679 0.7884 0.8903 0.1126 0.0020 0.0051 46 THR v C ? ? 1 +47518 O O . THR AJ 46 0.5585 0.7870 0.8874 0.1139 0.0004 0.0074 46 THR v O ? ? 1 +47519 N N A LYS AJ 47 0.5590 0.7914 0.8891 0.1124 0.0028 0.0032 47 LYS v N ? ? 1 +47520 N N B LYS AJ 47 0.5596 0.7921 0.8897 0.1126 0.0027 0.0032 47 LYS v N ? ? 1 +47521 C CA A LYS AJ 47 0.5381 0.7941 0.8855 0.1124 0.0019 0.0038 47 LYS v CA ? ? 1 +47522 C CA B LYS AJ 47 0.5390 0.7952 0.8865 0.1124 0.0019 0.0038 47 LYS v CA ? ? 1 +47523 C C A LYS AJ 47 0.5345 0.8006 0.8882 0.1228 0.0008 0.0049 47 LYS v C ? ? 1 +47524 C C B LYS AJ 47 0.5349 0.8012 0.8887 0.1228 0.0008 0.0049 47 LYS v C ? ? 1 +47525 O O A LYS AJ 47 0.5183 0.8012 0.8850 0.1222 -0.0006 0.0064 47 LYS v O ? ? 1 +47526 O O B LYS AJ 47 0.5184 0.8017 0.8854 0.1223 -0.0006 0.0064 47 LYS v O ? ? 1 +47527 C CB A LYS AJ 47 0.5321 0.7962 0.8842 0.1101 0.0033 0.0015 47 LYS v CB ? ? 1 +47528 C CB B LYS AJ 47 0.5336 0.7980 0.8860 0.1100 0.0033 0.0015 47 LYS v CB ? ? 1 +47529 C CG A LYS AJ 47 0.5280 0.7905 0.8804 0.0986 0.0034 0.0008 47 LYS v CG ? ? 1 +47530 C CG B LYS AJ 47 0.5327 0.7933 0.8837 0.0987 0.0035 0.0006 47 LYS v CG ? ? 1 +47531 C CD A LYS AJ 47 0.5203 0.7926 0.8784 0.0960 0.0044 -0.0013 47 LYS v CD ? ? 1 +47532 C CD B LYS AJ 47 0.5247 0.7961 0.8822 0.0957 0.0043 -0.0013 47 LYS v CD ? ? 1 +47533 C CE A LYS AJ 47 0.5137 0.7876 0.8746 0.0848 0.0038 -0.0017 47 LYS v CE ? ? 1 +47534 C CE B LYS AJ 47 0.5187 0.7915 0.8790 0.0843 0.0037 -0.0016 47 LYS v CE ? ? 1 +47535 N NZ A LYS AJ 47 0.5083 0.7897 0.8728 0.0824 0.0045 -0.0038 47 LYS v NZ ? ? 1 +47536 N NZ B LYS AJ 47 0.5128 0.7939 0.8775 0.0813 0.0043 -0.0036 47 LYS v NZ ? ? 1 +47537 N N . THR AJ 48 0.5499 0.8056 0.8942 0.1322 0.0013 0.0040 48 THR v N ? ? 1 +47538 C CA . THR AJ 48 0.5480 0.8130 0.8980 0.1427 0.0001 0.0046 48 THR v CA ? ? 1 +47539 C CB . THR AJ 48 0.5592 0.8197 0.9037 0.1517 0.0017 0.0022 48 THR v CB ? ? 1 +47540 O OG1 . THR AJ 48 0.5810 0.8179 0.9076 0.1525 0.0027 0.0014 48 THR v OG1 ? ? 1 +47541 C CG2 . THR AJ 48 0.5493 0.8216 0.9016 0.1493 0.0038 0.0002 48 THR v CG2 ? ? 1 +47542 C C . THR AJ 48 0.5560 0.8127 0.9003 0.1465 -0.0021 0.0068 48 THR v C ? ? 1 +47543 O O . THR AJ 48 0.5552 0.8194 0.9041 0.1551 -0.0037 0.0074 48 THR v O ? ? 1 +47544 N N . ASN AJ 49 0.5643 0.8056 0.8985 0.1400 -0.0021 0.0080 49 ASN v N ? ? 1 +47545 C CA . ASN AJ 49 0.5700 0.8042 0.8992 0.1420 -0.0040 0.0105 49 ASN v CA ? ? 1 +47546 C CB . ASN AJ 49 0.5892 0.8073 0.9048 0.1526 -0.0044 0.0103 49 ASN v CB ? ? 1 +47547 C CG . ASN AJ 49 0.5941 0.8069 0.9054 0.1561 -0.0067 0.0130 49 ASN v CG ? ? 1 +47548 O OD1 . ASN AJ 49 0.5844 0.8025 0.9009 0.1496 -0.0077 0.0149 49 ASN v OD1 ? ? 1 +47549 N ND2 . ASN AJ 49 0.6099 0.8119 0.9114 0.1665 -0.0077 0.0130 49 ASN v ND2 ? ? 1 +47550 C C . ASN AJ 49 0.5738 0.7966 0.8966 0.1313 -0.0033 0.0117 49 ASN v C ? ? 1 +47551 O O . ASN AJ 49 0.5915 0.7932 0.8988 0.1307 -0.0023 0.0118 49 ASN v O ? ? 1 +47552 N N A PRO AJ 50 0.5571 0.7936 0.8918 0.1226 -0.0037 0.0126 50 PRO v N ? ? 1 +47553 N N B PRO AJ 50 0.5571 0.7937 0.8918 0.1227 -0.0037 0.0126 50 PRO v N ? ? 1 +47554 C CA A PRO AJ 50 0.5591 0.7871 0.8896 0.1117 -0.0028 0.0134 50 PRO v CA ? ? 1 +47555 C CA B PRO AJ 50 0.5590 0.7871 0.8896 0.1118 -0.0028 0.0134 50 PRO v CA ? ? 1 +47556 C C A PRO AJ 50 0.5742 0.7854 0.8927 0.1115 -0.0030 0.0156 50 PRO v C ? ? 1 +47557 C C B PRO AJ 50 0.5747 0.7855 0.8929 0.1116 -0.0030 0.0155 50 PRO v C ? ? 1 +47558 O O A PRO AJ 50 0.5785 0.7799 0.8916 0.1026 -0.0016 0.0160 50 PRO v O ? ? 1 +47559 O O B PRO AJ 50 0.5803 0.7801 0.8922 0.1029 -0.0015 0.0158 50 PRO v O ? ? 1 +47560 C CB A PRO AJ 50 0.5356 0.7851 0.8833 0.1055 -0.0038 0.0142 50 PRO v CB ? ? 1 +47561 C CB B PRO AJ 50 0.5355 0.7852 0.8833 0.1057 -0.0038 0.0143 50 PRO v CB ? ? 1 +47562 C CG A PRO AJ 50 0.5233 0.7904 0.8826 0.1110 -0.0042 0.0129 50 PRO v CG ? ? 1 +47563 C CG B PRO AJ 50 0.5232 0.7902 0.8825 0.1109 -0.0042 0.0128 50 PRO v CG ? ? 1 +47564 C CD A PRO AJ 50 0.5355 0.7966 0.8884 0.1228 -0.0049 0.0128 50 PRO v CD ? ? 1 +47565 C CD B PRO AJ 50 0.5354 0.7966 0.8883 0.1227 -0.0049 0.0127 50 PRO v CD ? ? 1 +47566 N N . SER AJ 51 0.5828 0.7909 0.8971 0.1212 -0.0047 0.0169 51 SER v N ? ? 1 +47567 C CA . SER AJ 51 0.5996 0.7901 0.9007 0.1223 -0.0049 0.0190 51 SER v CA ? ? 1 +47568 C CB . SER AJ 51 0.6017 0.7953 0.9026 0.1337 -0.0077 0.0204 51 SER v CB ? ? 1 +47569 O OG . SER AJ 51 0.5815 0.7958 0.8980 0.1325 -0.0098 0.0216 51 SER v OG ? ? 1 +47570 C C . SER AJ 51 0.6255 0.7903 0.9077 0.1216 -0.0026 0.0183 51 SER v C ? ? 1 +47571 O O . SER AJ 51 0.6380 0.7868 0.9090 0.1186 -0.0018 0.0199 51 SER v O ? ? 1 +47572 N N . LEU AJ 52 0.6356 0.7959 0.9140 0.1246 -0.0015 0.0158 52 LEU v N ? ? 1 +47573 C CA . LEU AJ 52 0.6607 0.7968 0.9214 0.1242 0.0007 0.0146 52 LEU v CA ? ? 1 +47574 C CB . LEU AJ 52 0.6753 0.8041 0.9280 0.1366 0.0002 0.0135 52 LEU v CB ? ? 1 +47575 C CG . LEU AJ 52 0.6830 0.8096 0.9319 0.1472 -0.0022 0.0156 52 LEU v CG ? ? 1 +47576 C CD1 . LEU AJ 52 0.6948 0.8165 0.9377 0.1596 -0.0027 0.0142 52 LEU v CD1 ? ? 1 +47577 C CD2 . LEU AJ 52 0.7000 0.8059 0.9339 0.1448 -0.0016 0.0180 52 LEU v CD2 ? ? 1 +47578 C C . LEU AJ 52 0.6604 0.7959 0.9225 0.1146 0.0028 0.0121 52 LEU v C ? ? 1 +47579 O O . LEU AJ 52 0.6491 0.7980 0.9205 0.1154 0.0027 0.0101 52 LEU v O ? ? 1 +47580 N N . ASP AJ 53 0.6744 0.7940 0.9269 0.1057 0.0048 0.0122 53 ASP v N ? ? 1 +47581 C CA . ASP AJ 53 0.6759 0.7933 0.9287 0.0963 0.0065 0.0096 53 ASP v CA ? ? 1 +47582 C CB . ASP AJ 53 0.6637 0.7872 0.9240 0.0842 0.0071 0.0104 53 ASP v CB ? ? 1 +47583 C CG . ASP AJ 53 0.6755 0.7840 0.9259 0.0809 0.0081 0.0128 53 ASP v CG ? ? 1 +47584 O OD1 . ASP AJ 53 0.6962 0.7823 0.9300 0.0830 0.0097 0.0127 53 ASP v OD1 ? ? 1 +47585 O OD2 . ASP AJ 53 0.6648 0.7834 0.9239 0.0760 0.0077 0.0147 53 ASP v OD2 ? ? 1 +47586 C C . ASP AJ 53 0.7052 0.7971 0.9394 0.0965 0.0086 0.0080 53 ASP v C ? ? 1 +47587 O O . ASP AJ 53 0.7229 0.7990 0.9441 0.1043 0.0088 0.0090 53 ASP v O ? ? 1 +47588 N N . LEU AJ 54 0.7129 0.8008 0.9459 0.0880 0.0101 0.0053 54 LEU v N ? ? 1 +47589 C CA . LEU AJ 54 0.7393 0.8033 0.9553 0.0863 0.0122 0.0034 54 LEU v CA ? ? 1 +47590 C CB . LEU AJ 54 0.7366 0.8044 0.9547 0.0855 0.0124 -0.0002 54 LEU v CB ? ? 1 +47591 C CG . LEU AJ 54 0.7275 0.8092 0.9525 0.0961 0.0110 -0.0009 54 LEU v CG ? ? 1 +47592 C CD1 . LEU AJ 54 0.7290 0.8101 0.9526 0.0954 0.0117 -0.0045 54 LEU v CD1 ? ? 1 +47593 C CD2 . LEU AJ 54 0.7423 0.8136 0.9575 0.1085 0.0108 0.0005 54 LEU v CD2 ? ? 1 +47594 C C . LEU AJ 54 0.7527 0.8034 0.9624 0.0748 0.0141 0.0037 54 LEU v C ? ? 1 +47595 O O . LEU AJ 54 0.7682 0.8039 0.9683 0.0692 0.0158 0.0012 54 LEU v O ? ? 1 +47596 N N . ARG AJ 55 0.7517 0.8079 0.9667 0.0710 0.0139 0.0065 55 ARG v N ? ? 1 +47597 C CA . ARG AJ 55 0.7691 0.8111 0.9767 0.0612 0.0162 0.0071 55 ARG v CA ? ? 1 +47598 C CB . ARG AJ 55 0.7601 0.8133 0.9769 0.0577 0.0158 0.0102 55 ARG v CB ? ? 1 +47599 C CG . ARG AJ 55 0.7393 0.8167 0.9753 0.0508 0.0145 0.0096 55 ARG v CG ? ? 1 +47600 C CD . ARG AJ 55 0.7369 0.8213 0.9791 0.0471 0.0146 0.0126 55 ARG v CD ? ? 1 +47601 N NE . ARG AJ 55 0.7235 0.8307 0.9839 0.0404 0.0134 0.0122 55 ARG v NE ? ? 1 +47602 C CZ . ARG AJ 55 0.7285 0.8382 0.9940 0.0291 0.0148 0.0117 55 ARG v CZ ? ? 1 +47603 N NH1 . ARG AJ 55 0.7509 0.8424 1.0055 0.0226 0.0177 0.0119 55 ARG v NH1 ? ? 1 +47604 N NH2 . ARG AJ 55 0.7058 0.8365 0.9879 0.0240 0.0134 0.0108 55 ARG v NH2 ? ? 1 +47605 C C . ARG AJ 55 0.8018 0.8160 0.9884 0.0655 0.0181 0.0077 55 ARG v C ? ? 1 +47606 O O . ARG AJ 55 0.8136 0.8226 0.9936 0.0766 0.0171 0.0093 55 ARG v O ? ? 1 +47607 N N . THR AJ 56 0.8228 0.8192 0.9993 0.0564 0.0209 0.0064 56 THR v N ? ? 1 +47608 C CA . THR AJ 56 0.8515 0.8198 1.0073 0.0587 0.0232 0.0070 56 THR v CA ? ? 1 +47609 C CB . THR AJ 56 0.8622 0.8166 1.0120 0.0455 0.0263 0.0049 56 THR v CB ? ? 1 +47610 O OG1 . THR AJ 56 0.8587 0.8175 1.0123 0.0425 0.0256 0.0009 56 THR v OG1 ? ? 1 +47611 C CG2 . THR AJ 56 0.8918 0.8159 1.0200 0.0457 0.0293 0.0056 56 THR v CG2 ? ? 1 +47612 C C . THR AJ 56 0.8592 0.8213 1.0088 0.0647 0.0232 0.0111 56 THR v C ? ? 1 +47613 O O . THR AJ 56 0.8766 0.8220 1.0116 0.0739 0.0233 0.0122 56 THR v O ? ? 1 +47614 N N . GLU AJ 57 0.8468 0.8226 1.0075 0.0597 0.0229 0.0133 57 GLU v N ? ? 1 +47615 C CA . GLU AJ 57 0.8548 0.8255 1.0102 0.0642 0.0228 0.0172 57 GLU v CA ? ? 1 +47616 C CB . GLU AJ 57 0.8466 0.8333 1.0155 0.0559 0.0230 0.0188 57 GLU v CB ? ? 1 +47617 C CG . GLU AJ 57 0.8612 0.8416 1.0299 0.0416 0.0264 0.0176 57 GLU v CG ? ? 1 +47618 C CD . GLU AJ 57 0.8625 0.8556 1.0432 0.0335 0.0261 0.0138 57 GLU v CD ? ? 1 +47619 O OE1 . GLU AJ 57 0.8503 0.8616 1.0427 0.0382 0.0231 0.0126 57 GLU v OE1 ? ? 1 +47620 O OE2 . GLU AJ 57 0.8847 0.8693 1.0628 0.0224 0.0288 0.0121 57 GLU v OE2 ? ? 1 +47621 C C . GLU AJ 57 0.8440 0.8223 1.0007 0.0786 0.0195 0.0187 57 GLU v C ? ? 1 +47622 O O . GLU AJ 57 0.8601 0.8242 1.0040 0.0863 0.0193 0.0210 57 GLU v O ? ? 1 +47623 N N . THR AJ 58 0.8162 0.8173 0.9886 0.0819 0.0168 0.0173 58 THR v N ? ? 1 +47624 C CA . THR AJ 58 0.8055 0.8164 0.9815 0.0951 0.0137 0.0180 58 THR v CA ? ? 1 +47625 C CB . THR AJ 58 0.7783 0.8166 0.9743 0.0952 0.0115 0.0164 58 THR v CB ? ? 1 +47626 O OG1 . THR AJ 58 0.7552 0.8091 0.9649 0.0855 0.0115 0.0172 58 THR v OG1 ? ? 1 +47627 C CG2 . THR AJ 58 0.7703 0.8217 0.9726 0.1082 0.0083 0.0173 58 THR v CG2 ? ? 1 +47628 C C . THR AJ 58 0.8241 0.8163 0.9844 0.1045 0.0139 0.0168 58 THR v C ? ? 1 +47629 O O . THR AJ 58 0.8319 0.8187 0.9853 0.1155 0.0123 0.0185 58 THR v O ? ? 1 +47630 N N . LEU AJ 59 0.8309 0.8135 0.9856 0.1002 0.0158 0.0138 59 LEU v N ? ? 1 +47631 C CA . LEU AJ 59 0.8493 0.8136 0.9889 0.1083 0.0164 0.0123 59 LEU v CA ? ? 1 +47632 C CB . LEU AJ 59 0.8535 0.8128 0.9914 0.1013 0.0182 0.0084 59 LEU v CB ? ? 1 +47633 C CG . LEU AJ 59 0.8316 0.8147 0.9868 0.0999 0.0167 0.0060 59 LEU v CG ? ? 1 +47634 C CD1 . LEU AJ 59 0.8373 0.8135 0.9895 0.0912 0.0184 0.0024 59 LEU v CD1 ? ? 1 +47635 C CD2 . LEU AJ 59 0.8284 0.8204 0.9867 0.1131 0.0146 0.0055 59 LEU v CD2 ? ? 1 +47636 C C . LEU AJ 59 0.8735 0.8099 0.9921 0.1113 0.0181 0.0143 59 LEU v C ? ? 1 +47637 O O . LEU AJ 59 0.8896 0.8132 0.9961 0.1223 0.0174 0.0144 59 LEU v O ? ? 1 +47638 N N . ALA AJ 60 0.8767 0.8037 0.9907 0.1015 0.0203 0.0159 60 ALA v N ? ? 1 +47639 C CA . ALA AJ 60 0.8996 0.7999 0.9936 0.1029 0.0224 0.0182 60 ALA v CA ? ? 1 +47640 C CB . ALA AJ 60 0.8999 0.7942 0.9930 0.0893 0.0255 0.0192 60 ALA v CB ? ? 1 +47641 C C . ALA AJ 60 0.9016 0.8020 0.9919 0.1150 0.0199 0.0215 60 ALA v C ? ? 1 +47642 O O . ALA AJ 60 0.9266 0.8048 0.9986 0.1223 0.0204 0.0227 60 ALA v O ? ? 1 +47643 N N . LEU AJ 61 0.8764 0.8014 0.9837 0.1170 0.0170 0.0228 61 LEU v N ? ? 1 +47644 C CA . LEU AJ 61 0.8768 0.8045 0.9824 0.1278 0.0141 0.0258 61 LEU v CA ? ? 1 +47645 C CB . LEU AJ 61 0.8535 0.8018 0.9748 0.1224 0.0128 0.0277 61 LEU v CB ? ? 1 +47646 C CG . LEU AJ 61 0.8581 0.7961 0.9740 0.1111 0.0160 0.0296 61 LEU v CG ? ? 1 +47647 C CD1 . LEU AJ 61 0.8351 0.7951 0.9674 0.1072 0.0145 0.0313 61 LEU v CD1 ? ? 1 +47648 C CD2 . LEU AJ 61 0.8858 0.7966 0.9798 0.1155 0.0175 0.0322 61 LEU v CD2 ? ? 1 +47649 C C . LEU AJ 61 0.8739 0.8117 0.9838 0.1417 0.0106 0.0248 61 LEU v C ? ? 1 +47650 O O . LEU AJ 61 0.8747 0.8165 0.9844 0.1517 0.0076 0.0268 61 LEU v O ? ? 1 +47651 N N . ALA AJ 62 0.8713 0.8132 0.9849 0.1425 0.0109 0.0215 62 ALA v N ? ? 1 +47652 C CA . ALA AJ 62 0.8708 0.8195 0.9867 0.1554 0.0084 0.0201 62 ALA v CA ? ? 1 +47653 C CB . ALA AJ 62 0.8619 0.8193 0.9854 0.1528 0.0094 0.0164 62 ALA v CB ? ? 1 +47654 C C . ALA AJ 62 0.9028 0.8253 0.9970 0.1656 0.0086 0.0210 62 ALA v C ? ? 1 +47655 O O . ALA AJ 62 0.9248 0.8230 1.0021 0.1609 0.0113 0.0219 62 ALA v O ? ? 1 +47656 N N . THR AJ 63 0.9045 0.8326 0.9997 0.1795 0.0057 0.0206 63 THR v N ? ? 1 +47657 C CA . THR AJ 63 0.9308 0.8359 1.0065 0.1909 0.0053 0.0211 63 THR v CA ? ? 1 +47658 C CB . THR AJ 63 0.9333 0.8415 1.0080 0.2013 0.0017 0.0240 63 THR v CB ? ? 1 +47659 O OG1 . THR AJ 63 0.9301 0.8370 1.0046 0.1932 0.0021 0.0269 63 THR v OG1 ? ? 1 +47660 C CG2 . THR AJ 63 0.9623 0.8459 1.0160 0.2137 0.0010 0.0247 63 THR v CG2 ? ? 1 +47661 C C . THR AJ 63 0.9345 0.8413 1.0105 0.1990 0.0052 0.0178 63 THR v C ? ? 1 +47662 O O . THR AJ 63 0.9189 0.8485 1.0106 0.2051 0.0028 0.0166 63 THR v O ? ? 1 +47663 N N . PRO AJ 64 0.9566 0.8396 1.0156 0.1992 0.0079 0.0161 64 PRO v N ? ? 1 +47664 C CA . PRO AJ 64 0.9775 0.8342 1.0192 0.1900 0.0113 0.0169 64 PRO v CA ? ? 1 +47665 C CB . PRO AJ 64 1.0025 0.8361 1.0263 0.1964 0.0130 0.0148 64 PRO v CB ? ? 1 +47666 C CG . PRO AJ 64 0.9889 0.8414 1.0257 0.2029 0.0115 0.0118 64 PRO v CG ? ? 1 +47667 C CD . PRO AJ 64 0.9643 0.8450 1.0203 0.2085 0.0079 0.0131 64 PRO v CD ? ? 1 +47668 C C . PRO AJ 64 0.9645 0.8298 1.0164 0.1738 0.0138 0.0157 64 PRO v C ? ? 1 +47669 O O . PRO AJ 64 0.9426 0.8316 1.0127 0.1707 0.0129 0.0138 64 PRO v O ? ? 1 +47670 N N . PRO AJ 65 0.9778 0.8245 1.0185 0.1629 0.0170 0.0166 65 PRO v N ? ? 1 +47671 C CA . PRO AJ 65 0.9641 0.8195 1.0151 0.1474 0.0191 0.0153 65 PRO v CA ? ? 1 +47672 C CB . PRO AJ 65 0.9878 0.8156 1.0207 0.1390 0.0228 0.0164 65 PRO v CB ? ? 1 +47673 C CG . PRO AJ 65 1.0082 0.8180 1.0247 0.1497 0.0220 0.0196 65 PRO v CG ? ? 1 +47674 C CD . PRO AJ 65 1.0078 0.8239 1.0254 0.1650 0.0188 0.0187 65 PRO v CD ? ? 1 +47675 C C . PRO AJ 65 0.9552 0.8194 1.0139 0.1443 0.0197 0.0112 65 PRO v C ? ? 1 +47676 O O . PRO AJ 65 0.9729 0.8230 1.0203 0.1500 0.0204 0.0091 65 PRO v O ? ? 1 +47677 N N . ARG AJ 66 0.9293 0.8168 1.0070 0.1355 0.0192 0.0102 66 ARG v N ? ? 1 +47678 C CA . ARG AJ 66 0.9187 0.8167 1.0050 0.1318 0.0195 0.0064 66 ARG v CA ? ? 1 +47679 C CB . ARG AJ 66 0.8900 0.8190 0.9974 0.1366 0.0166 0.0063 66 ARG v CB ? ? 1 +47680 C CG . ARG AJ 66 0.8898 0.8241 0.9975 0.1520 0.0140 0.0077 66 ARG v CG ? ? 1 +47681 C CD . ARG AJ 66 0.9082 0.8276 1.0029 0.1624 0.0144 0.0057 66 ARG v CD ? ? 1 +47682 N NE . ARG AJ 66 0.9060 0.8337 1.0035 0.1771 0.0117 0.0067 66 ARG v NE ? ? 1 +47683 C CZ . ARG AJ 66 0.9197 0.8390 1.0087 0.1883 0.0116 0.0050 66 ARG v CZ ? ? 1 +47684 N NH1 . ARG AJ 66 0.9375 0.8378 1.0130 0.1871 0.0140 0.0025 66 ARG v NH1 ? ? 1 +47685 N NH2 . ARG AJ 66 0.9163 0.8469 1.0110 0.2012 0.0089 0.0057 66 ARG v NH2 ? ? 1 +47686 C C . ARG AJ 66 0.9177 0.8138 1.0066 0.1160 0.0218 0.0048 66 ARG v C ? ? 1 +47687 O O . ARG AJ 66 0.9076 0.8158 1.0062 0.1110 0.0217 0.0019 66 ARG v O ? ? 1 +47688 N N . ASP AJ 67 0.9312 0.8116 1.0109 0.1081 0.0240 0.0065 67 ASP v N ? ? 1 +47689 C CA . ASP AJ 67 0.9278 0.8073 1.0109 0.0929 0.0263 0.0051 67 ASP v CA ? ? 1 +47690 C CB . ASP AJ 67 0.9253 0.8030 1.0088 0.0860 0.0275 0.0084 67 ASP v CB ? ? 1 +47691 C CG . ASP AJ 67 0.9524 0.8028 1.0153 0.0892 0.0296 0.0109 67 ASP v CG ? ? 1 +47692 O OD1 . ASP AJ 67 0.9694 0.8074 1.0202 0.1011 0.0287 0.0113 67 ASP v OD1 ? ? 1 +47693 O OD2 . ASP AJ 67 0.9587 0.8004 1.0177 0.0801 0.0321 0.0124 67 ASP v OD2 ? ? 1 +47694 C C . ASP AJ 67 0.9552 0.8096 1.0217 0.0882 0.0291 0.0022 67 ASP v C ? ? 1 +47695 O O . ASP AJ 67 0.9660 0.8066 1.0257 0.0776 0.0318 0.0021 67 ASP v O ? ? 1 +47696 N N . ASN AJ 68 0.9682 0.8172 1.0286 0.0962 0.0284 -0.0002 68 ASN v N ? ? 1 +47697 C CA . ASN AJ 68 0.9941 0.8194 1.0384 0.0932 0.0308 -0.0032 68 ASN v CA ? ? 1 +47698 C CB . ASN AJ 68 1.0266 0.8221 1.0486 0.0978 0.0329 -0.0013 68 ASN v CB ? ? 1 +47699 C CG . ASN AJ 68 1.0365 0.8298 1.0526 0.1142 0.0309 0.0009 68 ASN v CG ? ? 1 +47700 O OD1 . ASN AJ 68 1.0447 0.8339 1.0553 0.1237 0.0301 -0.0010 68 ASN v OD1 ? ? 1 +47701 N ND2 . ASN AJ 68 1.0366 0.8318 1.0529 0.1178 0.0301 0.0049 68 ASN v ND2 ? ? 1 +47702 C C . ASN AJ 68 0.9930 0.8245 1.0392 0.1012 0.0293 -0.0063 68 ASN v C ? ? 1 +47703 O O . ASN AJ 68 0.9800 0.8302 1.0370 0.1104 0.0268 -0.0055 68 ASN v O ? ? 1 +47704 N N . ILE AJ 69 1.0102 0.8259 1.0458 0.0974 0.0309 -0.0099 69 ILE v N ? ? 1 +47705 C CA . ILE AJ 69 1.0093 0.8303 1.0465 0.1030 0.0299 -0.0133 69 ILE v CA ? ? 1 +47706 C CB . ILE AJ 69 1.0280 0.8290 1.0525 0.0954 0.0320 -0.0174 69 ILE v CB ? ? 1 +47707 C CG1 . ILE AJ 69 1.0154 0.8242 1.0496 0.0793 0.0324 -0.0192 69 ILE v CG1 ? ? 1 +47708 C CG2 . ILE AJ 69 1.0323 0.8339 1.0543 0.1030 0.0313 -0.0209 69 ILE v CG2 ? ? 1 +47709 C CD1 . ILE AJ 69 0.9886 0.8250 1.0423 0.0764 0.0302 -0.0210 69 ILE v CD1 ? ? 1 +47710 C C . ILE AJ 69 1.0197 0.8369 1.0500 0.1195 0.0289 -0.0123 69 ILE v C ? ? 1 +47711 O O . ILE AJ 69 1.0074 0.8434 1.0488 0.1269 0.0271 -0.0131 69 ILE v O ? ? 1 +47712 N N . GLU AJ 70 1.0447 0.8373 1.0565 0.1253 0.0302 -0.0107 70 GLU v N ? ? 1 +47713 C CA . GLU AJ 70 1.0571 0.8436 1.0607 0.1412 0.0292 -0.0099 70 GLU v CA ? ? 1 +47714 C CB . GLU AJ 70 1.0916 0.8457 1.0715 0.1448 0.0311 -0.0086 70 GLU v CB ? ? 1 +47715 C CG . GLU AJ 70 1.1156 0.8464 1.0798 0.1405 0.0336 -0.0123 70 GLU v CG ? ? 1 +47716 C CD . GLU AJ 70 1.1484 0.8453 1.0879 0.1437 0.0359 -0.0114 70 GLU v CD ? ? 1 +47717 O OE1 . GLU AJ 70 1.1559 0.8447 1.0892 0.1467 0.0359 -0.0076 70 GLU v OE1 ? ? 1 +47718 O OE2 . GLU AJ 70 1.1672 0.8449 1.0931 0.1434 0.0376 -0.0146 70 GLU v OE2 ? ? 1 +47719 C C . GLU AJ 70 1.0351 0.8450 1.0535 0.1500 0.0263 -0.0069 70 GLU v C ? ? 1 +47720 O O . GLU AJ 70 1.0327 0.8517 1.0547 0.1618 0.0248 -0.0075 70 GLU v O ? ? 1 +47721 N N . GLY AJ 71 1.0199 0.8393 1.0467 0.1440 0.0258 -0.0039 71 GLY v N ? ? 1 +47722 C CA . GLY AJ 71 0.9978 0.8404 1.0398 0.1507 0.0229 -0.0012 71 GLY v CA ? ? 1 +47723 C C . GLY AJ 71 0.9702 0.8421 1.0329 0.1510 0.0212 -0.0030 71 GLY v C ? ? 1 +47724 O O . GLY AJ 71 0.9615 0.8490 1.0330 0.1616 0.0190 -0.0023 71 GLY v O ? ? 1 +47725 N N . LEU AJ 72 0.9563 0.8354 1.0265 0.1394 0.0222 -0.0055 72 LEU v N ? ? 1 +47726 C CA . LEU AJ 72 0.9286 0.8344 1.0177 0.1383 0.0208 -0.0072 72 LEU v CA ? ? 1 +47727 C CB . LEU AJ 72 0.9171 0.8301 1.0145 0.1232 0.0216 -0.0088 72 LEU v CB ? ? 1 +47728 C CG . LEU AJ 72 0.9034 0.8269 1.0110 0.1144 0.0211 -0.0060 72 LEU v CG ? ? 1 +47729 C CD1 . LEU AJ 72 0.8933 0.8239 1.0092 0.1000 0.0217 -0.0081 72 LEU v CD1 ? ? 1 +47730 C CD2 . LEU AJ 72 0.8810 0.8296 1.0053 0.1204 0.0186 -0.0037 72 LEU v CD2 ? ? 1 +47731 C C . LEU AJ 72 0.9323 0.8371 1.0180 0.1467 0.0211 -0.0104 72 LEU v C ? ? 1 +47732 O O . LEU AJ 72 0.9136 0.8395 1.0127 0.1525 0.0197 -0.0109 72 LEU v O ? ? 1 +47733 N N . VAL AJ 73 0.9568 0.8365 1.0241 0.1472 0.0230 -0.0125 73 VAL v N ? ? 1 +47734 C CA . VAL AJ 73 0.9670 0.8422 1.0284 0.1558 0.0235 -0.0155 73 VAL v CA ? ? 1 +47735 C CB . VAL AJ 73 0.9938 0.8395 1.0345 0.1526 0.0258 -0.0181 73 VAL v CB ? ? 1 +47736 C CG1 . VAL AJ 73 1.0069 0.8451 1.0389 0.1635 0.0265 -0.0210 73 VAL v CG1 ? ? 1 +47737 C CG2 . VAL AJ 73 0.9888 0.8343 1.0322 0.1373 0.0268 -0.0204 73 VAL v CG2 ? ? 1 +47738 C C . VAL AJ 73 0.9705 0.8493 1.0314 0.1716 0.0222 -0.0139 73 VAL v C ? ? 1 +47739 O O . VAL AJ 73 0.9626 0.8545 1.0307 0.1794 0.0218 -0.0156 73 VAL v O ? ? 1 +47740 N N . ASP AJ 74 0.9826 0.8496 1.0349 0.1762 0.0217 -0.0108 74 ASP v N ? ? 1 +47741 C CA . ASP AJ 74 0.9855 0.8560 1.0376 0.1910 0.0199 -0.0091 74 ASP v CA ? ? 1 +47742 C CB . ASP AJ 74 1.0056 0.8571 1.0441 0.1935 0.0196 -0.0057 74 ASP v CB ? ? 1 +47743 C CG . ASP AJ 74 1.0135 0.8675 1.0508 0.2089 0.0173 -0.0039 74 ASP v CG ? ? 1 +47744 O OD1 . ASP AJ 74 1.0336 0.8765 1.0606 0.2197 0.0176 -0.0055 74 ASP v OD1 ? ? 1 +47745 O OD2 . ASP AJ 74 1.0038 0.8711 1.0506 0.2103 0.0150 -0.0009 74 ASP v OD2 ? ? 1 +47746 C C . ASP AJ 74 0.9530 0.8557 1.0277 0.1941 0.0175 -0.0080 74 ASP v C ? ? 1 +47747 O O . ASP AJ 74 0.9507 0.8642 1.0309 0.2055 0.0165 -0.0087 74 ASP v O ? ? 1 +47748 N N . TYR AJ 75 0.9285 0.8462 1.0163 0.1837 0.0168 -0.0063 75 TYR v N ? ? 1 +47749 C CA . TYR AJ 75 0.8973 0.8453 1.0069 0.1848 0.0147 -0.0053 75 TYR v CA ? ? 1 +47750 C CB . TYR AJ 75 0.8780 0.8365 0.9981 0.1716 0.0144 -0.0034 75 TYR v CB ? ? 1 +47751 C CG . TYR AJ 75 0.8489 0.8364 0.9898 0.1732 0.0120 -0.0018 75 TYR v CG ? ? 1 +47752 C CD1 . TYR AJ 75 0.8261 0.8362 0.9837 0.1696 0.0119 -0.0034 75 TYR v CD1 ? ? 1 +47753 C CD2 . TYR AJ 75 0.8450 0.8367 0.9884 0.1790 0.0098 0.0014 75 TYR v CD2 ? ? 1 +47754 C CE1 . TYR AJ 75 0.8016 0.8377 0.9780 0.1710 0.0099 -0.0020 75 TYR v CE1 ? ? 1 +47755 C CE2 . TYR AJ 75 0.8209 0.8389 0.9832 0.1806 0.0076 0.0027 75 TYR v CE2 ? ? 1 +47756 C CZ . TYR AJ 75 0.7993 0.8395 0.9783 0.1765 0.0077 0.0010 75 TYR v CZ ? ? 1 +47757 O OH . TYR AJ 75 0.7755 0.8411 0.9730 0.1778 0.0056 0.0022 75 TYR v OH ? ? 1 +47758 C C . TYR AJ 75 0.8843 0.8501 1.0056 0.1868 0.0151 -0.0083 75 TYR v C ? ? 1 +47759 O O . TYR AJ 75 0.8702 0.8569 1.0054 0.1940 0.0137 -0.0079 75 TYR v O ? ? 1 +47760 N N . MET AJ 76 0.8898 0.8474 1.0057 0.1801 0.0172 -0.0113 76 MET v N ? ? 1 +47761 C CA . MET AJ 76 0.8777 0.8501 1.0029 0.1811 0.0179 -0.0142 76 MET v CA ? ? 1 +47762 C CB . MET AJ 76 0.8800 0.8453 1.0014 0.1690 0.0195 -0.0168 76 MET v CB ? ? 1 +47763 C CG . MET AJ 76 0.8620 0.8392 0.9949 0.1558 0.0187 -0.0155 76 MET v CG ? ? 1 +47764 S SD . MET AJ 76 0.8652 0.8351 0.9943 0.1423 0.0201 -0.0191 76 MET v SD ? ? 1 +47765 C CE . MET AJ 76 0.8730 0.8283 0.9954 0.1311 0.0202 -0.0171 76 MET v CE ? ? 1 +47766 C C . MET AJ 76 0.8925 0.8577 1.0094 0.1946 0.0187 -0.0161 76 MET v C ? ? 1 +47767 O O . MET AJ 76 0.8837 0.8624 1.0087 0.1982 0.0194 -0.0183 76 MET v O ? ? 1 +47768 N N . LYS AJ 77 0.9158 0.8590 1.0161 0.2019 0.0188 -0.0153 77 LYS v N ? ? 1 +47769 C CA . LYS AJ 77 0.9306 0.8668 1.0230 0.2160 0.0192 -0.0167 77 LYS v CA ? ? 1 +47770 C CB . LYS AJ 77 0.9620 0.8655 1.0304 0.2188 0.0205 -0.0172 77 LYS v CB ? ? 1 +47771 C CG . LYS AJ 77 0.9752 0.8621 1.0323 0.2103 0.0229 -0.0203 77 LYS v CG ? ? 1 +47772 C CD . LYS AJ 77 1.0068 0.8614 1.0401 0.2138 0.0242 -0.0207 77 LYS v CD ? ? 1 +47773 C CE . LYS AJ 77 1.0207 0.8574 1.0424 0.2033 0.0264 -0.0236 77 LYS v CE ? ? 1 +47774 N NZ . LYS AJ 77 1.0519 0.8560 1.0502 0.2056 0.0277 -0.0236 77 LYS v NZ ? ? 1 +47775 C C . LYS AJ 77 0.9218 0.8731 1.0240 0.2273 0.0169 -0.0144 77 LYS v C ? ? 1 +47776 O O . LYS AJ 77 0.9191 0.8829 1.0284 0.2372 0.0169 -0.0158 77 LYS v O ? ? 1 +47777 N N . ASN AJ 78 0.9196 0.8695 1.0220 0.2256 0.0149 -0.0111 78 ASN v N ? ? 1 +47778 C CA . ASN AJ 78 0.9145 0.8760 1.0242 0.2362 0.0122 -0.0089 78 ASN v CA ? ? 1 +47779 C CB . ASN AJ 78 0.9440 0.8823 1.0349 0.2479 0.0117 -0.0084 78 ASN v CB ? ? 1 +47780 C CG . ASN AJ 78 0.9408 0.8921 1.0395 0.2606 0.0086 -0.0068 78 ASN v CG ? ? 1 +47781 O OD1 . ASN AJ 78 0.9249 0.9017 1.0416 0.2646 0.0077 -0.0076 78 ASN v OD1 ? ? 1 +47782 N ND2 . ASN AJ 78 0.9581 0.8930 1.0439 0.2666 0.0069 -0.0045 78 ASN v ND2 ? ? 1 +47783 C C . ASN AJ 78 0.8958 0.8687 1.0155 0.2291 0.0101 -0.0056 78 ASN v C ? ? 1 +47784 O O . ASN AJ 78 0.9079 0.8661 1.0171 0.2293 0.0091 -0.0030 78 ASN v O ? ? 1 +47785 N N . PRO AJ 79 0.8673 0.8666 1.0073 0.2230 0.0095 -0.0055 79 PRO v N ? ? 1 +47786 C CA . PRO AJ 79 0.8506 0.8611 1.0006 0.2153 0.0077 -0.0025 79 PRO v CA ? ? 1 +47787 C CB . PRO AJ 79 0.8234 0.8598 0.9933 0.2082 0.0081 -0.0037 79 PRO v CB ? ? 1 +47788 C CG . PRO AJ 79 0.8225 0.8675 0.9967 0.2170 0.0090 -0.0065 79 PRO v CG ? ? 1 +47789 C CD . PRO AJ 79 0.8512 0.8702 1.0050 0.2235 0.0106 -0.0081 79 PRO v CD ? ? 1 +47790 C C . PRO AJ 79 0.8490 0.8663 1.0028 0.2247 0.0045 0.0001 79 PRO v C ? ? 1 +47791 O O . PRO AJ 79 0.8490 0.8749 1.0071 0.2367 0.0032 -0.0007 79 PRO v O ? ? 1 +47792 N N . THR AJ 80 0.8466 0.8600 0.9987 0.2189 0.0033 0.0030 80 THR v N ? ? 1 +47793 C CA . THR AJ 80 0.8431 0.8619 0.9979 0.2262 0.0000 0.0057 80 THR v CA ? ? 1 +47794 C CB . THR AJ 80 0.8702 0.8606 1.0032 0.2303 -0.0003 0.0076 80 THR v CB ? ? 1 +47795 O OG1 . THR AJ 80 0.8770 0.8525 1.0013 0.2175 0.0018 0.0089 80 THR v OG1 ? ? 1 +47796 C CG2 . THR AJ 80 0.8940 0.8649 1.0110 0.2398 0.0009 0.0057 80 THR v CG2 ? ? 1 +47797 C C . THR AJ 80 0.8185 0.8561 0.9888 0.2168 -0.0013 0.0077 80 THR v C ? ? 1 +47798 O O . THR AJ 80 0.8064 0.8483 0.9821 0.2046 0.0005 0.0073 80 THR v O ? ? 1 +47799 N N . THR AJ 81 0.8104 0.8591 0.9877 0.2230 -0.0046 0.0098 81 THR v N ? ? 1 +47800 C CA . THR AJ 81 0.7915 0.8534 0.9798 0.2152 -0.0061 0.0121 81 THR v CA ? ? 1 +47801 C CB . THR AJ 81 0.7836 0.8598 0.9806 0.2249 -0.0101 0.0136 81 THR v CB ? ? 1 +47802 O OG1 . THR AJ 81 0.8066 0.8628 0.9865 0.2354 -0.0115 0.0145 81 THR v OG1 ? ? 1 +47803 C CG2 . THR AJ 81 0.7671 0.8683 0.9820 0.2314 -0.0113 0.0114 81 THR v CG2 ? ? 1 +47804 C C . THR AJ 81 0.8052 0.8452 0.9785 0.2066 -0.0046 0.0143 81 THR v C ? ? 1 +47805 O O . THR AJ 81 0.8282 0.8432 0.9828 0.2080 -0.0029 0.0141 81 THR v O ? ? 1 +47806 N N . TYR AJ 82 0.7927 0.8421 0.9744 0.1977 -0.0052 0.0163 82 TYR v N ? ? 1 +47807 C CA . TYR AJ 82 0.8030 0.8351 0.9736 0.1875 -0.0031 0.0181 82 TYR v CA ? ? 1 +47808 C CB . TYR AJ 82 0.7806 0.8309 0.9661 0.1784 -0.0040 0.0198 82 TYR v CB ? ? 1 +47809 C CG . TYR AJ 82 0.7851 0.8230 0.9640 0.1652 -0.0012 0.0209 82 TYR v CG ? ? 1 +47810 C CD1 . TYR AJ 82 0.7861 0.8183 0.9633 0.1557 0.0019 0.0188 82 TYR v CD1 ? ? 1 +47811 C CD2 . TYR AJ 82 0.7881 0.8205 0.9628 0.1623 -0.0017 0.0239 82 TYR v CD2 ? ? 1 +47812 C CE1 . TYR AJ 82 0.7900 0.8117 0.9621 0.1435 0.0045 0.0195 82 TYR v CE1 ? ? 1 +47813 C CE2 . TYR AJ 82 0.7918 0.8134 0.9610 0.1501 0.0012 0.0248 82 TYR v CE2 ? ? 1 +47814 C CZ . TYR AJ 82 0.7927 0.8093 0.9611 0.1406 0.0043 0.0226 82 TYR v CZ ? ? 1 +47815 O OH . TYR AJ 82 0.7968 0.8039 0.9609 0.1284 0.0072 0.0232 82 TYR v OH ? ? 1 +47816 C C . TYR AJ 82 0.8301 0.8377 0.9807 0.1937 -0.0037 0.0204 82 TYR v C ? ? 1 +47817 O O . TYR AJ 82 0.8457 0.8315 0.9814 0.1871 -0.0010 0.0212 82 TYR v O ? ? 1 +47818 N N . ASP AJ 83 0.8358 0.8472 0.9863 0.2064 -0.0071 0.0213 83 ASP v N ? ? 1 +47819 C CA . ASP AJ 83 0.8614 0.8507 0.9930 0.2144 -0.0083 0.0235 83 ASP v CA ? ? 1 +47820 C CB . ASP AJ 83 0.8514 0.8544 0.9906 0.2225 -0.0128 0.0255 83 ASP v CB ? ? 1 +47821 C CG . ASP AJ 83 0.8327 0.8612 0.9897 0.2316 -0.0160 0.0236 83 ASP v CG ? ? 1 +47822 O OD1 . ASP AJ 83 0.8290 0.8631 0.9909 0.2336 -0.0146 0.0207 83 ASP v OD1 ? ? 1 +47823 O OD2 . ASP AJ 83 0.8208 0.8641 0.9872 0.2363 -0.0198 0.0248 83 ASP v OD2 ? ? 1 +47824 C C . ASP AJ 83 0.8885 0.8598 1.0052 0.2250 -0.0078 0.0219 83 ASP v C ? ? 1 +47825 O O . ASP AJ 83 0.9103 0.8622 1.0104 0.2330 -0.0089 0.0235 83 ASP v O ? ? 1 +47826 N N . GLY AJ 84 0.8917 0.8689 1.0138 0.2253 -0.0062 0.0187 84 GLY v N ? ? 1 +47827 C CA . GLY AJ 84 0.9187 0.8797 1.0274 0.2349 -0.0054 0.0168 84 GLY v CA ? ? 1 +47828 C C . GLY AJ 84 0.9303 0.8997 1.0421 0.2510 -0.0091 0.0164 84 GLY v C ? ? 1 +47829 O O . GLY AJ 84 0.9482 0.9044 1.0488 0.2606 -0.0088 0.0149 84 GLY v O ? ? 1 +47830 N N . GLU AJ 85 0.9242 0.9160 1.0517 0.2540 -0.0127 0.0175 85 GLU v N ? ? 1 +47831 C CA . GLU AJ 85 0.9391 0.9383 1.0691 0.2691 -0.0168 0.0175 85 GLU v CA ? ? 1 +47832 C CB . GLU AJ 85 0.9305 0.9478 1.0732 0.2688 -0.0206 0.0197 85 GLU v CB ? ? 1 +47833 C CG . GLU AJ 85 0.9505 0.9644 1.0872 0.2826 -0.0253 0.0210 85 GLU v CG ? ? 1 +47834 C CD . GLU AJ 85 0.9792 0.9663 1.0943 0.2826 -0.0256 0.0242 85 GLU v CD ? ? 1 +47835 O OE2 . GLU AJ 85 1.0126 0.9742 1.1077 0.2881 -0.0243 0.0242 85 GLU v OE2 ? ? 1 +47836 O OE1 . GLU AJ 85 0.9757 0.9666 1.0934 0.2769 -0.0269 0.0267 85 GLU v OE1 ? ? 1 +47837 C C . GLU AJ 85 0.9334 0.9502 1.0763 0.2766 -0.0169 0.0141 85 GLU v C ? ? 1 +47838 O O . GLU AJ 85 0.9416 0.9588 1.0825 0.2903 -0.0194 0.0132 85 GLU v O ? ? 1 +47839 N N . GLN AJ 86 0.9246 0.9559 1.0805 0.2679 -0.0142 0.0121 86 GLN v N ? ? 1 +47840 C CA . GLN AJ 86 0.9189 0.9698 1.0892 0.2736 -0.0140 0.0090 86 GLN v CA ? ? 1 +47841 C CB . GLN AJ 86 0.9058 0.9882 1.1000 0.2723 -0.0164 0.0092 86 GLN v CB ? ? 1 +47842 C CG . GLN AJ 86 0.9110 1.0139 1.1198 0.2813 -0.0169 0.0063 86 GLN v CG ? ? 1 +47843 C CD . GLN AJ 86 0.9004 1.0326 1.1314 0.2811 -0.0197 0.0067 86 GLN v CD ? ? 1 +47844 O OE1 . GLN AJ 86 0.8869 1.0273 1.1253 0.2714 -0.0204 0.0086 86 GLN v OE1 ? ? 1 +47845 N NE2 . GLN AJ 86 0.9038 1.0527 1.1462 0.2919 -0.0213 0.0046 86 GLN v NE2 ? ? 1 +47846 C C . GLN AJ 86 0.9056 0.9539 1.0757 0.2660 -0.0096 0.0065 86 GLN v C ? ? 1 +47847 O O . GLN AJ 86 0.8960 0.9410 1.0657 0.2529 -0.0074 0.0071 86 GLN v O ? ? 1 +47848 N N . GLU AJ 87 0.9011 0.9510 1.0713 0.2743 -0.0084 0.0037 87 GLU v N ? ? 1 +47849 C CA . GLU AJ 87 0.8940 0.9420 1.0638 0.2688 -0.0044 0.0010 87 GLU v CA ? ? 1 +47850 C CB . GLU AJ 87 0.9153 0.9481 1.0720 0.2801 -0.0032 -0.0014 87 GLU v CB ? ? 1 +47851 C CG . GLU AJ 87 0.9448 0.9471 1.0780 0.2846 -0.0037 0.0001 87 GLU v CG ? ? 1 +47852 C CD . GLU AJ 87 0.9687 0.9545 1.0879 0.2959 -0.0024 -0.0022 87 GLU v CD ? ? 1 +47853 O OE1 . GLU AJ 87 0.9697 0.9702 1.0983 0.3067 -0.0033 -0.0041 87 GLU v OE1 ? ? 1 +47854 O OE2 . GLU AJ 87 0.9929 0.9511 1.0917 0.2943 -0.0006 -0.0021 87 GLU v OE2 ? ? 1 +47855 C C . GLU AJ 87 0.8614 0.9389 1.0539 0.2650 -0.0038 -0.0006 87 GLU v C ? ? 1 +47856 O O . GLU AJ 87 0.8504 0.9473 1.0564 0.2734 -0.0057 -0.0013 87 GLU v O ? ? 1 +47857 N N . ILE AJ 88 0.8452 0.9257 1.0417 0.2524 -0.0012 -0.0012 88 ILE v N ? ? 1 +47858 C CA . ILE AJ 88 0.8159 0.9235 1.0333 0.2470 -0.0007 -0.0021 88 ILE v CA ? ? 1 +47859 C CB . ILE AJ 88 0.8011 0.9162 1.0261 0.2343 -0.0016 0.0003 88 ILE v CB ? ? 1 +47860 C CG1 . ILE AJ 88 0.8107 0.9060 1.0227 0.2224 0.0008 0.0005 88 ILE v CG1 ? ? 1 +47861 C CG2 . ILE AJ 88 0.8002 0.9170 1.0262 0.2381 -0.0053 0.0032 88 ILE v CG2 ? ? 1 +47862 C CD1 . ILE AJ 88 0.7942 0.8965 1.0136 0.2095 0.0003 0.0025 88 ILE v CD1 ? ? 1 +47863 C C . ILE AJ 88 0.8114 0.9207 1.0299 0.2440 0.0029 -0.0052 88 ILE v C ? ? 1 +47864 O O . ILE AJ 88 0.7904 0.9174 1.0228 0.2366 0.0040 -0.0058 88 ILE v O ? ? 1 +47865 N N . ALA AJ 89 0.8325 0.9232 1.0359 0.2504 0.0047 -0.0071 89 ALA v N ? ? 1 +47866 C CA . ALA AJ 89 0.8331 0.9233 1.0355 0.2485 0.0081 -0.0102 89 ALA v CA ? ? 1 +47867 C CB . ALA AJ 89 0.8580 0.9262 1.0424 0.2579 0.0094 -0.0120 89 ALA v CB ? ? 1 +47868 C C . ALA AJ 89 0.8134 0.9311 1.0355 0.2507 0.0089 -0.0118 89 ALA v C ? ? 1 +47869 O O . ALA AJ 89 0.8064 0.9291 1.0320 0.2447 0.0116 -0.0137 89 ALA v O ? ? 1 +47870 N N . GLU AJ 90 0.8047 0.9396 1.0391 0.2594 0.0068 -0.0112 90 GLU v N ? ? 1 +47871 C CA . GLU AJ 90 0.7845 0.9460 1.0382 0.2618 0.0077 -0.0126 90 GLU v CA ? ? 1 +47872 C CB . GLU AJ 90 0.7874 0.9632 1.0513 0.2732 0.0049 -0.0121 90 GLU v CB ? ? 1 +47873 C CG . GLU AJ 90 0.8146 0.9827 1.0709 0.2872 0.0056 -0.0143 90 GLU v CG ? ? 1 +47874 C CD . GLU AJ 90 0.8128 1.0049 1.0865 0.2970 0.0047 -0.0155 90 GLU v CD ? ? 1 +47875 O OE1 . GLU AJ 90 0.8028 1.0153 1.0920 0.2939 0.0071 -0.0169 90 GLU v OE1 ? ? 1 +47876 O OE2 . GLU AJ 90 0.8277 1.0180 1.0994 0.3080 0.0018 -0.0152 90 GLU v OE2 ? ? 1 +47877 C C . GLU AJ 90 0.7518 0.9319 1.0209 0.2496 0.0080 -0.0116 90 GLU v C ? ? 1 +47878 O O . GLU AJ 90 0.7364 0.9350 1.0188 0.2491 0.0099 -0.0131 90 GLU v O ? ? 1 +47879 N N . VAL AJ 91 0.7397 0.9147 1.0068 0.2402 0.0062 -0.0091 91 VAL v N ? ? 1 +47880 C CA . VAL AJ 91 0.7117 0.9030 0.9925 0.2287 0.0062 -0.0080 91 VAL v CA ? ? 1 +47881 C CB . VAL AJ 91 0.6956 0.9029 0.9894 0.2289 0.0028 -0.0055 91 VAL v CB ? ? 1 +47882 C CG1 . VAL AJ 91 0.6909 0.9162 0.9971 0.2403 0.0018 -0.0065 91 VAL v CG1 ? ? 1 +47883 C CG2 . VAL AJ 91 0.7071 0.8975 0.9889 0.2289 0.0001 -0.0030 91 VAL v CG2 ? ? 1 +47884 C C . VAL AJ 91 0.7091 0.8865 0.9808 0.2159 0.0071 -0.0075 91 VAL v C ? ? 1 +47885 O O . VAL AJ 91 0.6928 0.8825 0.9750 0.2061 0.0070 -0.0066 91 VAL v O ? ? 1 +47886 N N . HIS AJ 92 0.7260 0.8780 0.9785 0.2161 0.0081 -0.0081 92 HIS v N ? ? 1 +47887 C CA . HIS AJ 92 0.7263 0.8644 0.9698 0.2043 0.0092 -0.0082 92 HIS v CA ? ? 1 +47888 C CB . HIS AJ 92 0.7323 0.8533 0.9648 0.2004 0.0076 -0.0057 92 HIS v CB ? ? 1 +47889 C CG . HIS AJ 92 0.7281 0.8395 0.9554 0.1869 0.0087 -0.0056 92 HIS v CG ? ? 1 +47890 N ND1 . HIS AJ 92 0.7437 0.8352 0.9562 0.1836 0.0108 -0.0078 92 HIS v ND1 ? ? 1 +47891 C CE1 . HIS AJ 92 0.7369 0.8256 0.9495 0.1711 0.0110 -0.0073 92 HIS v CE1 ? ? 1 +47892 N NE2 . HIS AJ 92 0.7156 0.8208 0.9418 0.1664 0.0093 -0.0050 92 HIS v NE2 ? ? 1 +47893 C CD2 . HIS AJ 92 0.7105 0.8298 0.9457 0.1764 0.0078 -0.0039 92 HIS v CD2 ? ? 1 +47894 C C . HIS AJ 92 0.7454 0.8667 0.9751 0.2056 0.0120 -0.0111 92 HIS v C ? ? 1 +47895 O O . HIS AJ 92 0.7649 0.8715 0.9824 0.2150 0.0124 -0.0120 92 HIS v O ? ? 1 +47896 N N . PRO AJ 93 0.7437 0.8657 0.9741 0.1964 0.0138 -0.0128 93 PRO v N ? ? 1 +47897 C CA . PRO AJ 93 0.7630 0.8689 0.9800 0.1973 0.0163 -0.0159 93 PRO v CA ? ? 1 +47898 C CB . PRO AJ 93 0.7524 0.8637 0.9739 0.1848 0.0172 -0.0170 93 PRO v CB ? ? 1 +47899 C CG . PRO AJ 93 0.7264 0.8617 0.9670 0.1801 0.0156 -0.0149 93 PRO v CG ? ? 1 +47900 C CD . PRO AJ 93 0.7238 0.8614 0.9672 0.1849 0.0133 -0.0120 93 PRO v CD ? ? 1 +47901 C C . PRO AJ 93 0.7918 0.8689 0.9879 0.1988 0.0164 -0.0159 93 PRO v C ? ? 1 +47902 O O . PRO AJ 93 0.7966 0.8631 0.9871 0.1922 0.0152 -0.0140 93 PRO v O ? ? 1 +47903 N N . SER AJ 94 0.8130 0.8774 0.9977 0.2078 0.0180 -0.0182 94 SER v N ? ? 1 +47904 C CA . SER AJ 94 0.8424 0.8786 1.0063 0.2108 0.0184 -0.0185 94 SER v CA ? ? 1 +47905 C CB . SER AJ 94 0.8504 0.8814 1.0106 0.2198 0.0164 -0.0160 94 SER v CB ? ? 1 +47906 O OG . SER AJ 94 0.8488 0.8905 1.0148 0.2332 0.0161 -0.0167 94 SER v OG ? ? 1 +47907 C C . SER AJ 94 0.8604 0.8865 1.0144 0.2178 0.0209 -0.0220 94 SER v C ? ? 1 +47908 O O . SER AJ 94 0.8503 0.8926 1.0143 0.2221 0.0221 -0.0236 94 SER v O ? ? 1 +47909 N N . LEU AJ 95 0.8890 0.8880 1.0230 0.2187 0.0218 -0.0230 95 LEU v N ? ? 1 +47910 C CA . LEU AJ 95 0.9109 0.8972 1.0331 0.2263 0.0241 -0.0263 95 LEU v CA ? ? 1 +47911 C CB . LEU AJ 95 0.9376 0.8923 1.0372 0.2235 0.0250 -0.0273 95 LEU v CB ? ? 1 +47912 C CG . LEU AJ 95 0.9381 0.8848 1.0339 0.2083 0.0255 -0.0283 95 LEU v CG ? ? 1 +47913 C CD1 . LEU AJ 95 0.9658 0.8815 1.0393 0.2067 0.0268 -0.0300 95 LEU v CD1 ? ? 1 +47914 C CD2 . LEU AJ 95 0.9248 0.8872 1.0307 0.2031 0.0266 -0.0308 95 LEU v CD2 ? ? 1 +47915 C C . LEU AJ 95 0.9201 0.9122 1.0446 0.2418 0.0238 -0.0261 95 LEU v C ? ? 1 +47916 O O . LEU AJ 95 0.9276 0.9230 1.0521 0.2493 0.0258 -0.0287 95 LEU v O ? ? 1 +47917 N N . ARG AJ 96 0.9234 0.9168 1.0497 0.2467 0.0214 -0.0232 96 ARG v N ? ? 1 +47918 C CA . ARG AJ 96 0.9282 0.9289 1.0583 0.2613 0.0204 -0.0228 96 ARG v CA ? ? 1 +47919 C CB . ARG AJ 96 0.9353 0.9316 1.0635 0.2640 0.0172 -0.0194 96 ARG v CB ? ? 1 +47920 C CG . ARG AJ 96 0.9448 0.9469 1.0756 0.2793 0.0155 -0.0190 96 ARG v CG ? ? 1 +47921 C CD . ARG AJ 96 0.9554 0.9498 1.0812 0.2820 0.0123 -0.0157 96 ARG v CD ? ? 1 +47922 N NE . ARG AJ 96 0.9634 0.9651 1.0928 0.2971 0.0101 -0.0156 96 ARG v NE ? ? 1 +47923 C CZ . ARG AJ 96 0.9729 0.9713 1.0998 0.3027 0.0068 -0.0129 96 ARG v CZ ? ? 1 +47924 N NH1 . ARG AJ 96 0.9692 0.9624 1.0938 0.2940 0.0052 -0.0099 96 ARG v NH1 ? ? 1 +47925 N NH2 . ARG AJ 96 0.9870 0.9870 1.1132 0.3176 0.0050 -0.0134 96 ARG v NH2 ? ? 1 +47926 C C . ARG AJ 96 0.9033 0.9345 1.0550 0.2643 0.0207 -0.0236 96 ARG v C ? ? 1 +47927 O O . ARG AJ 96 0.9050 0.9435 1.0603 0.2762 0.0212 -0.0249 96 ARG v O ? ? 1 +47928 N N . SER AJ 97 0.8806 0.9293 1.0465 0.2533 0.0204 -0.0227 97 SER v N ? ? 1 +47929 C CA . SER AJ 97 0.8586 0.9361 1.0452 0.2543 0.0209 -0.0231 97 SER v CA ? ? 1 +47930 C CB . SER AJ 97 0.8367 0.9316 1.0383 0.2496 0.0179 -0.0199 97 SER v CB ? ? 1 +47931 O OG . SER AJ 97 0.8285 0.9184 1.0284 0.2361 0.0173 -0.0184 97 SER v OG ? ? 1 +47932 C C . SER AJ 97 0.8527 0.9367 1.0433 0.2462 0.0236 -0.0253 97 SER v C ? ? 1 +47933 O O . SER AJ 97 0.8320 0.9380 1.0391 0.2410 0.0237 -0.0249 97 SER v O ? ? 1 +47934 N N . ALA AJ 98 0.8741 0.9385 1.0489 0.2456 0.0258 -0.0279 98 ALA v N ? ? 1 +47935 C CA . ALA AJ 98 0.8714 0.9393 1.0473 0.2385 0.0282 -0.0303 98 ALA v CA ? ? 1 +47936 C CB . ALA AJ 98 0.8944 0.9351 1.0494 0.2364 0.0297 -0.0327 98 ALA v CB ? ? 1 +47937 C C . ALA AJ 98 0.8658 0.9524 1.0530 0.2459 0.0307 -0.0322 98 ALA v C ? ? 1 +47938 O O . ALA AJ 98 0.8574 0.9530 1.0499 0.2402 0.0326 -0.0337 98 ALA v O ? ? 1 +47939 N N . ASP AJ 99 0.8753 0.9676 1.0659 0.2587 0.0309 -0.0323 99 ASP v N ? ? 1 +47940 C CA . ASP AJ 99 0.8695 0.9818 1.0730 0.2658 0.0333 -0.0339 99 ASP v CA ? ? 1 +47941 C CB . ASP AJ 99 0.8824 0.9955 1.0858 0.2809 0.0332 -0.0343 99 ASP v CB ? ? 1 +47942 C CG . ASP AJ 99 0.8821 1.0004 1.0916 0.2843 0.0292 -0.0313 99 ASP v CG ? ? 1 +47943 O OD1 . ASP AJ 99 0.8853 0.9944 1.0900 0.2763 0.0266 -0.0290 99 ASP v OD1 ? ? 1 +47944 O OD2 . ASP AJ 99 0.8835 1.0144 1.1021 0.2951 0.0287 -0.0315 99 ASP v OD2 ? ? 1 +47945 C C . ASP AJ 99 0.8430 0.9826 1.0678 0.2594 0.0328 -0.0323 99 ASP v C ? ? 1 +47946 O O . ASP AJ 99 0.8384 0.9916 1.0715 0.2579 0.0356 -0.0338 99 ASP v O ? ? 1 +47947 N N . ILE AJ 100 0.8297 0.9766 1.0625 0.2554 0.0294 -0.0292 100 ILE v N ? ? 1 +47948 C CA . ILE AJ 100 0.8016 0.9743 1.0547 0.2500 0.0287 -0.0276 100 ILE v CA ? ? 1 +47949 C CB . ILE AJ 100 0.7927 0.9800 1.0583 0.2566 0.0258 -0.0255 100 ILE v CB ? ? 1 +47950 C CG1 . ILE AJ 100 0.7974 0.9733 1.0568 0.2535 0.0219 -0.0226 100 ILE v CG1 ? ? 1 +47951 C CG2 . ILE AJ 100 0.8023 0.9920 1.0683 0.2713 0.0269 -0.0272 100 ILE v CG2 ? ? 1 +47952 C CD1 . ILE AJ 100 0.8211 0.9724 1.0620 0.2566 0.0214 -0.0229 100 ILE v CD1 ? ? 1 +47953 C C . ILE AJ 100 0.7888 0.9616 1.0435 0.2354 0.0274 -0.0261 100 ILE v C ? ? 1 +47954 O O . ILE AJ 100 0.7665 0.9594 1.0369 0.2297 0.0271 -0.0249 100 ILE v O ? ? 1 +47955 N N . PHE AJ 101 0.8021 0.9525 1.0408 0.2295 0.0267 -0.0261 101 PHE v N ? ? 1 +47956 C CA . PHE AJ 101 0.7925 0.9403 1.0305 0.2158 0.0260 -0.0255 101 PHE v CA ? ? 1 +47957 C CB . PHE AJ 101 0.7931 0.9293 1.0254 0.2103 0.0229 -0.0230 101 PHE v CB ? ? 1 +47958 C CG . PHE AJ 101 0.7734 0.9260 1.0198 0.2114 0.0203 -0.0199 101 PHE v CG ? ? 1 +47959 C CD1 . PHE AJ 101 0.7473 0.9194 1.0093 0.2031 0.0194 -0.0184 101 PHE v CD1 ? ? 1 +47960 C CD2 . PHE AJ 101 0.7779 0.9265 1.0217 0.2211 0.0187 -0.0187 101 PHE v CD2 ? ? 1 +47961 C CE1 . PHE AJ 101 0.7302 0.9170 1.0049 0.2042 0.0170 -0.0158 101 PHE v CE1 ? ? 1 +47962 C CE2 . PHE AJ 101 0.7618 0.9252 1.0180 0.2221 0.0160 -0.0160 101 PHE v CE2 ? ? 1 +47963 C CZ . PHE AJ 101 0.7380 0.9205 1.0097 0.2136 0.0153 -0.0147 101 PHE v CZ ? ? 1 +47964 C C . PHE AJ 101 0.8110 0.9423 1.0347 0.2126 0.0283 -0.0285 101 PHE v C ? ? 1 +47965 O O . PHE AJ 101 0.8280 0.9368 1.0357 0.2103 0.0278 -0.0291 101 PHE v O ? ? 1 +47966 N N . PRO AJ 102 0.8107 0.9521 1.0393 0.2127 0.0309 -0.0307 102 PRO v N ? ? 1 +47967 C CA . PRO AJ 102 0.8301 0.9559 1.0445 0.2122 0.0333 -0.0339 102 PRO v CA ? ? 1 +47968 C CB . PRO AJ 102 0.8158 0.9604 1.0413 0.2125 0.0360 -0.0353 102 PRO v CB ? ? 1 +47969 C CG . PRO AJ 102 0.7968 0.9643 1.0404 0.2177 0.0357 -0.0332 102 PRO v CG ? ? 1 +47970 C CD . PRO AJ 102 0.7894 0.9572 1.0368 0.2133 0.0320 -0.0301 102 PRO v CD ? ? 1 +47971 C C . PRO AJ 102 0.8453 0.9542 1.0481 0.2008 0.0321 -0.0346 102 PRO v C ? ? 1 +47972 O O . PRO AJ 102 0.8698 0.9594 1.0568 0.2015 0.0333 -0.0372 102 PRO v O ? ? 1 +47973 N N . LYS AJ 103 0.8380 0.9543 1.0489 0.1905 0.0297 -0.0325 103 LYS v N ? ? 1 +47974 C CA . LYS AJ 103 0.8513 0.9540 1.0533 0.1791 0.0285 -0.0333 103 LYS v CA ? ? 1 +47975 C CB . LYS AJ 103 0.8303 0.9468 1.0452 0.1688 0.0261 -0.0308 103 LYS v CB ? ? 1 +47976 C CG . LYS AJ 103 0.8118 0.9469 1.0389 0.1630 0.0265 -0.0313 103 LYS v CG ? ? 1 +47977 C CD . LYS AJ 103 0.7862 0.9408 1.0303 0.1578 0.0245 -0.0281 103 LYS v CD ? ? 1 +47978 C CE . LYS AJ 103 0.7769 0.9339 1.0237 0.1453 0.0229 -0.0282 103 LYS v CE ? ? 1 +47979 N NZ . LYS AJ 103 0.7603 0.9316 1.0209 0.1402 0.0208 -0.0250 103 LYS v NZ ? ? 1 +47980 C C . LYS AJ 103 0.8851 0.9618 1.0695 0.1794 0.0278 -0.0336 103 LYS v C ? ? 1 +47981 O O . LYS AJ 103 0.8955 0.9570 1.0693 0.1715 0.0275 -0.0353 103 LYS v O ? ? 1 +47982 N N . MET AJ 104 0.9090 0.9807 1.0906 0.1886 0.0275 -0.0321 104 MET v N ? ? 1 +47983 C CA . MET AJ 104 0.9419 0.9886 1.1065 0.1900 0.0270 -0.0320 104 MET v CA ? ? 1 +47984 C CB . MET AJ 104 0.9305 0.9797 1.0985 0.1974 0.0254 -0.0288 104 MET v CB ? ? 1 +47985 C CG . MET AJ 104 0.9001 0.9669 1.0836 0.1908 0.0231 -0.0256 104 MET v CG ? ? 1 +47986 S SD . MET AJ 104 0.8852 0.9422 1.0648 0.1748 0.0217 -0.0247 104 MET v SD ? ? 1 +47987 C CE . MET AJ 104 0.9098 0.9388 1.0702 0.1779 0.0214 -0.0239 104 MET v CE ? ? 1 +47988 C C . MET AJ 104 0.9868 1.0142 1.1346 0.1973 0.0292 -0.0352 104 MET v C ? ? 1 +47989 O O . MET AJ 104 1.0086 1.0126 1.1401 0.1978 0.0291 -0.0356 104 MET v O ? ? 1 +47990 N N . ARG AJ 105 1.0157 1.0526 1.1672 0.2030 0.0314 -0.0374 105 ARG v N ? ? 1 +47991 C CA . ARG AJ 105 1.0719 1.0931 1.2090 0.2118 0.0338 -0.0404 105 ARG v CA ? ? 1 +47992 C CB . ARG AJ 105 1.0556 1.0941 1.2018 0.2180 0.0365 -0.0422 105 ARG v CB ? ? 1 +47993 C CG . ARG AJ 105 1.0346 1.0933 1.1958 0.2273 0.0366 -0.0403 105 ARG v CG ? ? 1 +47994 C CD . ARG AJ 105 1.0253 1.1006 1.1954 0.2328 0.0397 -0.0421 105 ARG v CD ? ? 1 +47995 N NE . ARG AJ 105 1.0184 1.1135 1.2037 0.2415 0.0397 -0.0404 105 ARG v NE ? ? 1 +47996 C CZ . ARG AJ 105 1.0105 1.1275 1.2104 0.2444 0.0418 -0.0408 105 ARG v CZ ? ? 1 +47997 N NH1 . ARG AJ 105 1.0114 1.1322 1.2111 0.2413 0.0446 -0.0430 105 ARG v NH1 ? ? 1 +47998 N NH2 . ARG AJ 105 1.0005 1.1361 1.2154 0.2504 0.0412 -0.0389 105 ARG v NH2 ? ? 1 +47999 C C . ARG AJ 105 1.1114 1.1090 1.2307 0.2052 0.0344 -0.0433 105 ARG v C ? ? 1 +48000 O O . ARG AJ 105 1.1250 1.1004 1.2277 0.2103 0.0351 -0.0446 105 ARG v O ? ? 1 +48001 N N . ASN AJ 106 1.1381 1.1408 1.2611 0.1937 0.0338 -0.0443 106 ASN v N ? ? 1 +48002 C CA . ASN AJ 106 1.1840 1.1669 1.2920 0.1863 0.0340 -0.0473 106 ASN v CA ? ? 1 +48003 C CB . ASN AJ 106 1.2016 1.1975 1.3166 0.1798 0.0344 -0.0494 106 ASN v CB ? ? 1 +48004 C CG . ASN AJ 106 1.1991 1.2178 1.3326 0.1713 0.0324 -0.0470 106 ASN v CG ? ? 1 +48005 O OD1 . ASN AJ 106 1.1967 1.2248 1.3402 0.1705 0.0309 -0.0436 106 ASN v OD1 ? ? 1 +48006 N ND2 . ASN AJ 106 1.2038 1.2315 1.3418 0.1648 0.0324 -0.0487 106 ASN v ND2 ? ? 1 +48007 C C . ASN AJ 106 1.1863 1.1552 1.2882 0.1761 0.0318 -0.0462 106 ASN v C ? ? 1 +48008 O O . ASN AJ 106 1.2101 1.1701 1.3060 0.1662 0.0312 -0.0483 106 ASN v O ? ? 1 +48009 N N . LEU AJ 107 1.1706 1.1382 1.2744 0.1784 0.0307 -0.0429 107 LEU v N ? ? 1 +48010 C CA . LEU AJ 107 1.1659 1.1200 1.2638 0.1694 0.0291 -0.0415 107 LEU v CA ? ? 1 +48011 C CB . LEU AJ 107 1.1434 1.1133 1.2557 0.1670 0.0272 -0.0373 107 LEU v CB ? ? 1 +48012 C CG . LEU AJ 107 1.1167 1.1133 1.2488 0.1602 0.0260 -0.0362 107 LEU v CG ? ? 1 +48013 C CD1 . LEU AJ 107 1.0998 1.1052 1.2419 0.1547 0.0240 -0.0324 107 LEU v CD1 ? ? 1 +48014 C CD2 . LEU AJ 107 1.1169 1.1139 1.2489 0.1494 0.0258 -0.0390 107 LEU v CD2 ? ? 1 +48015 C C . LEU AJ 107 1.1869 1.1134 1.2649 0.1754 0.0301 -0.0421 107 LEU v C ? ? 1 +48016 O O . LEU AJ 107 1.1918 1.1161 1.2668 0.1876 0.0308 -0.0412 107 LEU v O ? ? 1 +48017 N N . THR AJ 108 1.1949 1.1005 1.2595 0.1668 0.0301 -0.0438 108 THR v N ? ? 1 +48018 C CA . THR AJ 108 1.2185 1.0957 1.2630 0.1706 0.0312 -0.0445 108 THR v CA ? ? 1 +48019 C CB . THR AJ 108 1.2459 1.1030 1.2750 0.1649 0.0322 -0.0489 108 THR v CB ? ? 1 +48020 O OG1 . THR AJ 108 1.2757 1.1111 1.2926 0.1568 0.0320 -0.0487 108 THR v OG1 ? ? 1 +48021 C CG2 . THR AJ 108 1.2318 1.1026 1.2700 0.1554 0.0315 -0.0514 108 THR v CG2 ? ? 1 +48022 C C . THR AJ 108 1.2109 1.0797 1.2533 0.1655 0.0301 -0.0412 108 THR v C ? ? 1 +48023 O O . THR AJ 108 1.1807 1.0649 1.2366 0.1577 0.0286 -0.0390 108 THR v O ? ? 1 +48024 N N . GLU AJ 109 1.2356 1.0792 1.2603 0.1701 0.0311 -0.0410 109 GLU v N ? ? 1 +48025 C CA . GLU AJ 109 1.2387 1.0688 1.2571 0.1648 0.0307 -0.0382 109 GLU v CA ? ? 1 +48026 C CB . GLU AJ 109 1.2826 1.0809 1.2777 0.1702 0.0323 -0.0391 109 GLU v CB ? ? 1 +48027 C CG . GLU AJ 109 1.3021 1.0832 1.2880 0.1655 0.0324 -0.0363 109 GLU v CG ? ? 1 +48028 C CD . GLU AJ 109 1.3080 1.0928 1.2961 0.1755 0.0315 -0.0321 109 GLU v CD ? ? 1 +48029 O OE1 . GLU AJ 109 1.3029 1.1021 1.2985 0.1874 0.0307 -0.0316 109 GLU v OE1 ? ? 1 +48030 O OE2 . GLU AJ 109 1.3251 1.0975 1.3066 0.1716 0.0315 -0.0294 109 GLU v OE2 ? ? 1 +48031 C C . GLU AJ 109 1.2199 1.0508 1.2423 0.1484 0.0301 -0.0388 109 GLU v C ? ? 1 +48032 O O . GLU AJ 109 1.2199 1.0571 1.2497 0.1425 0.0292 -0.0358 109 GLU v O ? ? 1 +48033 N N . LYS AJ 110 1.2095 1.0337 1.2269 0.1412 0.0306 -0.0428 110 LYS v N ? ? 1 +48034 C CA . LYS AJ 110 1.2003 1.0228 1.2199 0.1258 0.0300 -0.0439 110 LYS v CA ? ? 1 +48035 C CB . LYS AJ 110 1.2283 1.0358 1.2365 0.1197 0.0307 -0.0490 110 LYS v CB ? ? 1 +48036 C CG . LYS AJ 110 1.2205 1.0470 1.2401 0.1162 0.0295 -0.0518 110 LYS v CG ? ? 1 +48037 C CD . LYS AJ 110 1.2391 1.0491 1.2463 0.1094 0.0297 -0.0569 110 LYS v CD ? ? 1 +48038 C CE . LYS AJ 110 1.2348 1.0551 1.2448 0.1135 0.0294 -0.0601 110 LYS v CE ? ? 1 +48039 N NZ . LYS AJ 110 1.2061 1.0571 1.2366 0.1153 0.0282 -0.0582 110 LYS v NZ ? ? 1 +48040 C C . LYS AJ 110 1.1513 1.0033 1.1930 0.1196 0.0281 -0.0424 110 LYS v C ? ? 1 +48041 O O . LYS AJ 110 1.1554 1.0106 1.2030 0.1085 0.0274 -0.0414 110 LYS v O ? ? 1 +48042 N N . ASP AJ 111 1.1114 0.9846 1.1652 0.1268 0.0276 -0.0423 111 ASP v N ? ? 1 +48043 C CA . ASP AJ 111 1.0634 0.9648 1.1381 0.1224 0.0259 -0.0407 111 ASP v CA ? ? 1 +48044 C CB . ASP AJ 111 1.0558 0.9756 1.1396 0.1314 0.0260 -0.0415 111 ASP v CB ? ? 1 +48045 C CG . ASP AJ 111 1.0692 0.9841 1.1466 0.1301 0.0267 -0.0460 111 ASP v CG ? ? 1 +48046 O OD1 . ASP AJ 111 1.0839 0.9886 1.1554 0.1197 0.0261 -0.0485 111 ASP v OD1 ? ? 1 +48047 O OD2 . ASP AJ 111 1.0742 0.9953 1.1522 0.1397 0.0277 -0.0471 111 ASP v OD2 ? ? 1 +48048 C C . ASP AJ 111 1.0323 0.9431 1.1163 0.1224 0.0250 -0.0361 111 ASP v C ? ? 1 +48049 O O . ASP AJ 111 1.0102 0.9352 1.1069 0.1132 0.0237 -0.0348 111 ASP v O ? ? 1 +48050 N N . LEU AJ 112 1.0240 0.9265 1.1013 0.1330 0.0256 -0.0338 112 LEU v N ? ? 1 +48051 C CA . LEU AJ 112 1.0024 0.9109 1.0859 0.1342 0.0248 -0.0295 112 LEU v CA ? ? 1 +48052 C CB . LEU AJ 112 1.0157 0.9146 1.0903 0.1483 0.0252 -0.0278 112 LEU v CB ? ? 1 +48053 C CG . LEU AJ 112 1.0010 0.9211 1.0880 0.1601 0.0244 -0.0270 112 LEU v CG ? ? 1 +48054 C CD1 . LEU AJ 112 0.9938 0.9266 1.0875 0.1607 0.0250 -0.0301 112 LEU v CD1 ? ? 1 +48055 C CD2 . LEU AJ 112 1.0195 0.9264 1.0948 0.1740 0.0249 -0.0263 112 LEU v CD2 ? ? 1 +48056 C C . LEU AJ 112 0.9990 0.8939 1.0767 0.1226 0.0250 -0.0286 112 LEU v C ? ? 1 +48057 O O . LEU AJ 112 0.9835 0.8902 1.0719 0.1175 0.0240 -0.0257 112 LEU v O ? ? 1 +48058 N N . VAL AJ 113 1.0147 0.8845 1.0752 0.1186 0.0265 -0.0310 113 VAL v N ? ? 1 +48059 C CA . VAL AJ 113 1.0172 0.8725 1.0712 0.1071 0.0273 -0.0305 113 VAL v CA ? ? 1 +48060 C CB . VAL AJ 113 1.0445 0.8693 1.0772 0.1047 0.0293 -0.0335 113 VAL v CB ? ? 1 +48061 C CG1 . VAL AJ 113 1.0511 0.8614 1.0778 0.0929 0.0305 -0.0327 113 VAL v CG1 ? ? 1 +48062 C CG2 . VAL AJ 113 1.0666 0.8735 1.0836 0.1184 0.0304 -0.0329 113 VAL v CG2 ? ? 1 +48063 C C . VAL AJ 113 0.9918 0.8649 1.0611 0.0940 0.0261 -0.0315 113 VAL v C ? ? 1 +48064 O O . VAL AJ 113 0.9810 0.8579 1.0563 0.0861 0.0260 -0.0293 113 VAL v O ? ? 1 +48065 N N . ALA AJ 114 0.9807 0.8645 1.0561 0.0922 0.0253 -0.0347 114 ALA v N ? ? 1 +48066 C CA . ALA AJ 114 0.9604 0.8610 1.0497 0.0806 0.0238 -0.0359 114 ALA v CA ? ? 1 +48067 C CB . ALA AJ 114 0.9568 0.8641 1.0481 0.0806 0.0230 -0.0399 114 ALA v CB ? ? 1 +48068 C C . ALA AJ 114 0.9324 0.8582 1.0407 0.0803 0.0224 -0.0323 114 ALA v C ? ? 1 +48069 O O . ALA AJ 114 0.9237 0.8560 1.0400 0.0702 0.0218 -0.0313 114 ALA v O ? ? 1 +48070 N N . ILE AJ 115 0.9175 0.8573 1.0329 0.0915 0.0218 -0.0304 115 ILE v N ? ? 1 +48071 C CA . ILE AJ 115 0.8890 0.8523 1.0217 0.0925 0.0205 -0.0270 115 ILE v CA ? ? 1 +48072 C CB . ILE AJ 115 0.8835 0.8599 1.0221 0.1059 0.0201 -0.0258 115 ILE v CB ? ? 1 +48073 C CG1 . ILE AJ 115 0.8782 0.8642 1.0206 0.1080 0.0201 -0.0290 115 ILE v CG1 ? ? 1 +48074 C CG2 . ILE AJ 115 0.8615 0.8600 1.0167 0.1073 0.0187 -0.0221 115 ILE v CG2 ? ? 1 +48075 C CD1 . ILE AJ 115 0.8725 0.8693 1.0191 0.1214 0.0205 -0.0285 115 ILE v CD1 ? ? 1 +48076 C C . ILE AJ 115 0.8868 0.8438 1.0180 0.0897 0.0207 -0.0235 115 ILE v C ? ? 1 +48077 O O . ILE AJ 115 0.8697 0.8407 1.0133 0.0826 0.0198 -0.0217 115 ILE v O ? ? 1 +48078 N N . ALA AJ 116 0.9053 0.8406 1.0205 0.0957 0.0221 -0.0225 116 ALA v N ? ? 1 +48079 C CA . ALA AJ 116 0.9088 0.8340 1.0191 0.0937 0.0227 -0.0193 116 ALA v CA ? ? 1 +48080 C CB . ALA AJ 116 0.9355 0.8349 1.0259 0.1021 0.0243 -0.0188 116 ALA v CB ? ? 1 +48081 C C . ALA AJ 116 0.9062 0.8257 1.0166 0.0789 0.0236 -0.0200 116 ALA v C ? ? 1 +48082 O O . ALA AJ 116 0.8939 0.8201 1.0114 0.0737 0.0234 -0.0173 116 ALA v O ? ? 1 +48083 N N . GLY AJ 117 0.9165 0.8234 1.0187 0.0723 0.0244 -0.0239 117 GLY v N ? ? 1 +48084 C CA . GLY AJ 117 0.9163 0.8185 1.0191 0.0579 0.0251 -0.0254 117 GLY v CA ? ? 1 +48085 C C . GLY AJ 117 0.8874 0.8156 1.0107 0.0502 0.0233 -0.0247 117 GLY v C ? ? 1 +48086 O O . GLY AJ 117 0.8839 0.8133 1.0115 0.0414 0.0239 -0.0233 117 GLY v O ? ? 1 +48087 N N . HIS AJ 118 0.8681 0.8167 1.0035 0.0538 0.0214 -0.0257 118 HIS v N ? ? 1 +48088 C CA . HIS AJ 118 0.8407 0.8143 0.9953 0.0475 0.0195 -0.0252 118 HIS v CA ? ? 1 +48089 C CB . HIS AJ 118 0.8280 0.8197 0.9920 0.0528 0.0178 -0.0267 118 HIS v CB ? ? 1 +48090 C CG . HIS AJ 118 0.8043 0.8219 0.9877 0.0476 0.0159 -0.0259 118 HIS v CG ? ? 1 +48091 N ND1 . HIS AJ 118 0.8008 0.8232 0.9906 0.0353 0.0150 -0.0276 118 HIS v ND1 ? ? 1 +48092 C CE1 . HIS AJ 118 0.7766 0.8228 0.9834 0.0341 0.0133 -0.0263 118 HIS v CE1 ? ? 1 +48093 N NE2 . HIS AJ 118 0.7675 0.8244 0.9792 0.0445 0.0131 -0.0239 118 HIS v NE2 ? ? 1 +48094 C CD2 . HIS AJ 118 0.7853 0.8245 0.9825 0.0532 0.0146 -0.0237 118 HIS v CD2 ? ? 1 +48095 C C . HIS AJ 118 0.8268 0.8116 0.9907 0.0486 0.0193 -0.0207 118 HIS v C ? ? 1 +48096 O O . HIS AJ 118 0.8168 0.8113 0.9906 0.0394 0.0189 -0.0200 118 HIS v O ? ? 1 +48097 N N . ILE AJ 119 0.8280 0.8112 0.9884 0.0600 0.0195 -0.0180 119 ILE v N ? ? 1 +48098 C CA . ILE AJ 119 0.8142 0.8082 0.9829 0.0623 0.0189 -0.0138 119 ILE v CA ? ? 1 +48099 C CB . ILE AJ 119 0.8175 0.8109 0.9823 0.0768 0.0185 -0.0117 119 ILE v CB ? ? 1 +48100 C CG1 . ILE AJ 119 0.8048 0.8157 0.9791 0.0842 0.0171 -0.0131 119 ILE v CG1 ? ? 1 +48101 C CG2 . ILE AJ 119 0.8083 0.8089 0.9788 0.0796 0.0178 -0.0075 119 ILE v CG2 ? ? 1 +48102 C CD1 . ILE AJ 119 0.8082 0.8192 0.9793 0.0988 0.0167 -0.0116 119 ILE v CD1 ? ? 1 +48103 C C . ILE AJ 119 0.8234 0.8038 0.9858 0.0544 0.0206 -0.0121 119 ILE v C ? ? 1 +48104 O O . ILE AJ 119 0.8098 0.8020 0.9824 0.0503 0.0202 -0.0096 119 ILE v O ? ? 1 +48105 N N . LEU AJ 120 0.8489 0.8039 0.9940 0.0522 0.0227 -0.0135 120 LEU v N ? ? 1 +48106 C CA . LEU AJ 120 0.8621 0.8013 0.9989 0.0453 0.0249 -0.0119 120 LEU v CA ? ? 1 +48107 C CB . LEU AJ 120 0.8914 0.8012 1.0063 0.0499 0.0271 -0.0123 120 LEU v CB ? ? 1 +48108 C CG . LEU AJ 120 0.8975 0.8028 1.0051 0.0649 0.0264 -0.0098 120 LEU v CG ? ? 1 +48109 C CD1 . LEU AJ 120 0.9272 0.8033 1.0130 0.0695 0.0284 -0.0108 120 LEU v CD1 ? ? 1 +48110 C CD2 . LEU AJ 120 0.8894 0.8011 1.0015 0.0680 0.0260 -0.0054 120 LEU v CD2 ? ? 1 +48111 C C . LEU AJ 120 0.8606 0.8019 1.0031 0.0304 0.0257 -0.0141 120 LEU v C ? ? 1 +48112 O O . LEU AJ 120 0.8621 0.8003 1.0054 0.0232 0.0272 -0.0124 120 LEU v O ? ? 1 +48113 N N . VAL AJ 121 0.8588 0.8056 1.0054 0.0261 0.0246 -0.0181 121 VAL v N ? ? 1 +48114 C CA . VAL AJ 121 0.8573 0.8070 1.0098 0.0124 0.0248 -0.0208 121 VAL v CA ? ? 1 +48115 C CB . VAL AJ 121 0.8669 0.8105 1.0145 0.0096 0.0241 -0.0257 121 VAL v CB ? ? 1 +48116 C CG1 . VAL AJ 121 0.8620 0.8119 1.0181 -0.0044 0.0236 -0.0287 121 VAL v CG1 ? ? 1 +48117 C CG2 . VAL AJ 121 0.8954 0.8103 1.0218 0.0128 0.0263 -0.0271 121 VAL v CG2 ? ? 1 +48118 C C . VAL AJ 121 0.8305 0.8072 1.0036 0.0075 0.0229 -0.0197 121 VAL v C ? ? 1 +48119 O O . VAL AJ 121 0.8248 0.8045 1.0039 -0.0028 0.0237 -0.0196 121 VAL v O ? ? 1 +48120 N N . GLU AJ 122 0.8157 0.8120 0.9997 0.0150 0.0205 -0.0189 122 GLU v N ? ? 1 +48121 C CA . GLU AJ 122 0.7913 0.8134 0.9946 0.0109 0.0184 -0.0184 122 GLU v CA ? ? 1 +48122 C CB . GLU AJ 122 0.7772 0.8171 0.9892 0.0212 0.0163 -0.0174 122 GLU v CB ? ? 1 +48123 C CG . GLU AJ 122 0.7557 0.8191 0.9846 0.0166 0.0139 -0.0186 122 GLU v CG ? ? 1 +48124 C CD . GLU AJ 122 0.7605 0.8214 0.9879 0.0100 0.0131 -0.0232 122 GLU v CD ? ? 1 +48125 O OE1 . GLU AJ 122 0.7825 0.8234 0.9954 0.0095 0.0143 -0.0256 122 GLU v OE1 ? ? 1 +48126 O OE2 . GLU AJ 122 0.7438 0.8227 0.9843 0.0054 0.0111 -0.0243 122 GLU v OE2 ? ? 1 +48127 C C . GLU AJ 122 0.7802 0.8101 0.9919 0.0058 0.0191 -0.0151 122 GLU v C ? ? 1 +48128 O O . GLU AJ 122 0.7662 0.8095 0.9901 -0.0031 0.0183 -0.0160 122 GLU v O ? ? 1 +48129 N N . PRO AJ 123 0.7885 0.8110 0.9943 0.0115 0.0204 -0.0114 123 PRO v N ? ? 1 +48130 C CA . PRO AJ 123 0.7821 0.8097 0.9940 0.0063 0.0214 -0.0085 123 PRO v CA ? ? 1 +48131 C CB . PRO AJ 123 0.7925 0.8087 0.9941 0.0160 0.0223 -0.0048 123 PRO v CB ? ? 1 +48132 C CG . PRO AJ 123 0.8108 0.8097 0.9973 0.0239 0.0227 -0.0064 123 PRO v CG ? ? 1 +48133 C CD . PRO AJ 123 0.8028 0.8122 0.9958 0.0236 0.0208 -0.0099 123 PRO v CD ? ? 1 +48134 C C . PRO AJ 123 0.7938 0.8101 1.0022 -0.0064 0.0238 -0.0099 123 PRO v C ? ? 1 +48135 O O . PRO AJ 123 0.7820 0.8087 1.0005 -0.0135 0.0242 -0.0088 123 PRO v O ? ? 1 +48136 N N . LYS AJ 124 0.8171 0.8120 1.0111 -0.0092 0.0255 -0.0126 124 LYS v N ? ? 1 +48137 C CA . LYS AJ 124 0.8286 0.8125 1.0192 -0.0217 0.0280 -0.0146 124 LYS v CA ? ? 1 +48138 C CB . LYS AJ 124 0.8570 0.8148 1.0292 -0.0224 0.0299 -0.0173 124 LYS v CB ? ? 1 +48139 C CG . LYS AJ 124 0.8777 0.8141 1.0323 -0.0135 0.0319 -0.0145 124 LYS v CG ? ? 1 +48140 C CD . LYS AJ 124 0.9057 0.8160 1.0426 -0.0161 0.0341 -0.0174 124 LYS v CD ? ? 1 +48141 C CE . LYS AJ 124 0.9309 0.8174 1.0493 -0.0097 0.0367 -0.0147 124 LYS v CE ? ? 1 +48142 N NZ . LYS AJ 124 0.9596 0.8200 1.0609 -0.0137 0.0391 -0.0177 124 LYS v NZ ? ? 1 +48143 C C . LYS AJ 124 0.8105 0.8129 1.0169 -0.0312 0.0260 -0.0177 124 LYS v C ? ? 1 +48144 O O . LYS AJ 124 0.8066 0.8104 1.0181 -0.0419 0.0275 -0.0184 124 LYS v O ? ? 1 +48145 N N . ILE AJ 125 0.7985 0.8151 1.0124 -0.0270 0.0228 -0.0195 125 ILE v N ? ? 1 +48146 C CA . ILE AJ 125 0.7831 0.8181 1.0117 -0.0345 0.0205 -0.0223 125 ILE v CA ? ? 1 +48147 C CB . ILE AJ 125 0.7805 0.8189 1.0083 -0.0304 0.0179 -0.0256 125 ILE v CB ? ? 1 +48148 C CG1 . ILE AJ 125 0.8040 0.8181 1.0137 -0.0292 0.0192 -0.0283 125 ILE v CG1 ? ? 1 +48149 C CG2 . ILE AJ 125 0.7654 0.8212 1.0072 -0.0386 0.0152 -0.0287 125 ILE v CG2 ? ? 1 +48150 C CD1 . ILE AJ 125 0.8049 0.8217 1.0128 -0.0238 0.0169 -0.0311 125 ILE v CD1 ? ? 1 +48151 C C . ILE AJ 125 0.7609 0.8203 1.0071 -0.0344 0.0189 -0.0195 125 ILE v C ? ? 1 +48152 O O . ILE AJ 125 0.7542 0.8233 1.0109 -0.0437 0.0189 -0.0202 125 ILE v O ? ? 1 +48153 N N . LEU AJ 126 0.7524 0.8217 1.0020 -0.0238 0.0176 -0.0167 126 LEU v N ? ? 1 +48154 C CA . LEU AJ 126 0.7289 0.8222 0.9952 -0.0227 0.0157 -0.0145 126 LEU v CA ? ? 1 +48155 C CB . LEU AJ 126 0.7180 0.8220 0.9875 -0.0116 0.0135 -0.0137 126 LEU v CB ? ? 1 +48156 C CG . LEU AJ 126 0.7178 0.8254 0.9879 -0.0113 0.0115 -0.0175 126 LEU v CG ? ? 1 +48157 C CD1 . LEU AJ 126 0.7082 0.8268 0.9818 -0.0002 0.0100 -0.0163 126 LEU v CD1 ? ? 1 +48158 C CD2 . LEU AJ 126 0.7038 0.8264 0.9868 -0.0208 0.0097 -0.0198 126 LEU v CD2 ? ? 1 +48159 C C . LEU AJ 126 0.7264 0.8224 0.9960 -0.0226 0.0172 -0.0104 126 LEU v C ? ? 1 +48160 O O . LEU AJ 126 0.7049 0.8202 0.9887 -0.0236 0.0158 -0.0088 126 LEU v O ? ? 1 +48161 N N . GLY AJ 127 0.7488 0.8250 1.0047 -0.0214 0.0200 -0.0087 127 GLY v N ? ? 1 +48162 C CA . GLY AJ 127 0.7516 0.8282 1.0085 -0.0207 0.0215 -0.0048 127 GLY v CA ? ? 1 +48163 C C . GLY AJ 127 0.7449 0.8369 1.0094 -0.0106 0.0193 -0.0017 127 GLY v C ? ? 1 +48164 O O . GLY AJ 127 0.7552 0.8453 1.0149 -0.0007 0.0181 -0.0014 127 GLY v O ? ? 1 +48165 N N . ASP AJ 128 0.7351 0.8431 1.0122 -0.0133 0.0188 0.0005 128 ASP v N ? ? 1 +48166 C CA . ASP AJ 128 0.7267 0.8493 1.0115 -0.0047 0.0168 0.0035 128 ASP v CA ? ? 1 +48167 C CB . ASP AJ 128 0.7241 0.8597 1.0203 -0.0099 0.0171 0.0057 128 ASP v CB ? ? 1 +48168 C CG . ASP AJ 128 0.7544 0.8744 1.0404 -0.0119 0.0201 0.0082 128 ASP v CG ? ? 1 +48169 O OD1 . ASP AJ 128 0.7894 0.8896 1.0597 -0.0070 0.0216 0.0089 128 ASP v OD1 ? ? 1 +48170 O OD2 . ASP AJ 128 0.7622 0.8892 1.0555 -0.0182 0.0212 0.0094 128 ASP v OD2 ? ? 1 +48171 C C . ASP AJ 128 0.7068 0.8461 1.0012 0.0009 0.0138 0.0022 128 ASP v C ? ? 1 +48172 O O . ASP AJ 128 0.7011 0.8483 0.9983 0.0101 0.0123 0.0042 128 ASP v O ? ? 1 +48173 N N . LYS AJ 129 0.6982 0.8430 0.9975 -0.0048 0.0129 -0.0012 129 LYS v N ? ? 1 +48174 C CA . LYS AJ 129 0.6833 0.8421 0.9901 0.0001 0.0104 -0.0025 129 LYS v CA ? ? 1 +48175 C CB . LYS AJ 129 0.6901 0.8515 1.0001 -0.0073 0.0096 -0.0065 129 LYS v CB ? ? 1 +48176 C CG . LYS AJ 129 0.6860 0.8617 1.0094 -0.0171 0.0089 -0.0070 129 LYS v CG ? ? 1 +48177 C CD . LYS AJ 129 0.6927 0.8735 1.0204 -0.0235 0.0073 -0.0110 129 LYS v CD ? ? 1 +48178 C CE . LYS AJ 129 0.6891 0.8796 1.0277 -0.0340 0.0070 -0.0118 129 LYS v CE ? ? 1 +48179 N NZ . LYS AJ 129 0.6740 0.8835 1.0263 -0.0327 0.0060 -0.0088 129 LYS v NZ ? ? 1 +48180 C C . LYS AJ 129 0.6799 0.8301 0.9769 0.0113 0.0103 -0.0023 129 LYS v C ? ? 1 +48181 O O . LYS AJ 129 0.6708 0.8345 0.9749 0.0184 0.0086 -0.0017 129 LYS v O ? ? 1 +48182 N N . TRP AJ 130 0.6879 0.8157 0.9687 0.0127 0.0122 -0.0030 130 TRP v N ? ? 1 +48183 C CA . TRP AJ 130 0.6886 0.8065 0.9589 0.0236 0.0122 -0.0028 130 TRP v CA ? ? 1 +48184 C CB . TRP AJ 130 0.7092 0.8016 0.9616 0.0226 0.0143 -0.0046 130 TRP v CB ? ? 1 +48185 C CG . TRP AJ 130 0.7175 0.7987 0.9584 0.0339 0.0144 -0.0048 130 TRP v CG ? ? 1 +48186 C CD1 . TRP AJ 130 0.7306 0.7957 0.9587 0.0409 0.0155 -0.0027 130 TRP v CD1 ? ? 1 +48187 N NE1 . TRP AJ 130 0.7383 0.7971 0.9588 0.0507 0.0152 -0.0038 130 TRP v NE1 ? ? 1 +48188 C CE2 . TRP AJ 130 0.7284 0.7988 0.9562 0.0499 0.0141 -0.0066 130 TRP v CE2 ? ? 1 +48189 C CZ2 . TRP AJ 130 0.7323 0.8020 0.9566 0.0575 0.0137 -0.0086 130 TRP v CZ2 ? ? 1 +48190 C CH2 . TRP AJ 130 0.7208 0.8034 0.9537 0.0544 0.0126 -0.0112 130 TRP v CH2 ? ? 1 +48191 C CZ3 . TRP AJ 130 0.7054 0.8014 0.9502 0.0441 0.0117 -0.0118 130 TRP v CZ3 ? ? 1 +48192 C CE3 . TRP AJ 130 0.7018 0.7991 0.9509 0.0367 0.0120 -0.0099 130 TRP v CE3 ? ? 1 +48193 C CD2 . TRP AJ 130 0.7140 0.7983 0.9544 0.0394 0.0134 -0.0072 130 TRP v CD2 ? ? 1 +48194 C C . TRP AJ 130 0.6815 0.8017 0.9518 0.0320 0.0119 0.0010 130 TRP v C ? ? 1 +48195 O O . TRP AJ 130 0.6894 0.7993 0.9537 0.0301 0.0134 0.0031 130 TRP v O ? ? 1 +48196 N N . GLY AJ 131 0.6647 0.7983 0.9419 0.0410 0.0101 0.0017 131 GLY v N ? ? 1 +48197 C CA . GLY AJ 131 0.6563 0.7948 0.9353 0.0495 0.0093 0.0049 131 GLY v CA ? ? 1 +48198 C C . GLY AJ 131 0.6319 0.7876 0.9247 0.0457 0.0083 0.0073 131 GLY v C ? ? 1 +48199 O O . GLY AJ 131 0.6263 0.7863 0.9210 0.0518 0.0074 0.0100 131 GLY v O ? ? 1 +48200 N N . GLY AJ 132 0.6160 0.7818 0.9186 0.0359 0.0082 0.0062 132 GLY v N ? ? 1 +48201 C CA . GLY AJ 132 0.5965 0.7769 0.9113 0.0309 0.0076 0.0082 132 GLY v CA ? ? 1 +48202 C C . GLY AJ 132 0.5712 0.7754 0.9020 0.0341 0.0053 0.0087 132 GLY v C ? ? 1 +48203 O O . GLY AJ 132 0.5588 0.7749 0.8988 0.0334 0.0045 0.0109 132 GLY v O ? ? 1 +48204 N N . GLY AJ 133 0.5642 0.7746 0.8978 0.0373 0.0045 0.0066 133 GLY v N ? ? 1 +48205 C CA . GLY AJ 133 0.5417 0.7738 0.8898 0.0401 0.0027 0.0068 133 GLY v CA ? ? 1 +48206 C C . GLY AJ 133 0.5237 0.7699 0.8840 0.0309 0.0020 0.0060 133 GLY v C ? ? 1 +48207 O O . GLY AJ 133 0.5293 0.7687 0.8870 0.0223 0.0028 0.0045 133 GLY v O ? ? 1 +48208 N N A LYS AJ 134 0.5030 0.7690 0.8770 0.0327 0.0005 0.0069 134 LYS v N ? ? 1 +48209 N N B LYS AJ 134 0.5035 0.7695 0.8774 0.0329 0.0005 0.0069 134 LYS v N ? ? 1 +48210 C CA A LYS AJ 134 0.4859 0.7665 0.8717 0.0256 -0.0004 0.0060 134 LYS v CA ? ? 1 +48211 C CA B LYS AJ 134 0.4864 0.7672 0.8723 0.0258 -0.0004 0.0060 134 LYS v CA ? ? 1 +48212 C C A LYS AJ 134 0.4797 0.7612 0.8694 0.0166 -0.0002 0.0068 134 LYS v C ? ? 1 +48213 C C B LYS AJ 134 0.4793 0.7612 0.8693 0.0167 -0.0002 0.0068 134 LYS v C ? ? 1 +48214 O O A LYS AJ 134 0.4713 0.7599 0.8676 0.0092 -0.0007 0.0053 134 LYS v O ? ? 1 +48215 O O B LYS AJ 134 0.4695 0.7595 0.8667 0.0096 -0.0009 0.0054 134 LYS v O ? ? 1 +48216 C CB A LYS AJ 134 0.4677 0.7683 0.8665 0.0302 -0.0018 0.0072 134 LYS v CB ? ? 1 +48217 C CB B LYS AJ 134 0.4690 0.7696 0.8678 0.0304 -0.0018 0.0072 134 LYS v CB ? ? 1 +48218 C CG A LYS AJ 134 0.4593 0.7676 0.8644 0.0325 -0.0024 0.0102 134 LYS v CG ? ? 1 +48219 C CG B LYS AJ 134 0.4613 0.7695 0.8663 0.0328 -0.0024 0.0103 134 LYS v CG ? ? 1 +48220 C CD A LYS AJ 134 0.4426 0.7702 0.8605 0.0369 -0.0037 0.0112 134 LYS v CD ? ? 1 +48221 C CD B LYS AJ 134 0.4446 0.7726 0.8629 0.0366 -0.0037 0.0112 134 LYS v CD ? ? 1 +48222 C CE A LYS AJ 134 0.4468 0.7744 0.8620 0.0465 -0.0036 0.0108 134 LYS v CE ? ? 1 +48223 C CE B LYS AJ 134 0.4476 0.7771 0.8642 0.0461 -0.0037 0.0109 134 LYS v CE ? ? 1 +48224 N NZ A LYS AJ 134 0.4308 0.7775 0.8590 0.0499 -0.0045 0.0116 134 LYS v NZ ? ? 1 +48225 N NZ B LYS AJ 134 0.4314 0.7801 0.8614 0.0493 -0.0047 0.0119 134 LYS v NZ ? ? 1 +48226 N N A VAL AJ 135 0.4837 0.7581 0.8692 0.0174 0.0006 0.0090 135 VAL v N ? ? 1 +48227 N N B VAL AJ 135 0.4836 0.7580 0.8691 0.0173 0.0006 0.0090 135 VAL v N ? ? 1 +48228 C CA A VAL AJ 135 0.4801 0.7544 0.8685 0.0092 0.0014 0.0099 135 VAL v CA ? ? 1 +48229 C CA B VAL AJ 135 0.4795 0.7543 0.8683 0.0092 0.0013 0.0099 135 VAL v CA ? ? 1 +48230 C C A VAL AJ 135 0.4881 0.7527 0.8718 0.0003 0.0026 0.0073 135 VAL v C ? ? 1 +48231 C C B VAL AJ 135 0.4878 0.7526 0.8717 0.0003 0.0025 0.0072 135 VAL v C ? ? 1 +48232 O O A VAL AJ 135 0.4801 0.7515 0.8713 -0.0077 0.0026 0.0068 135 VAL v O ? ? 1 +48233 O O B VAL AJ 135 0.4794 0.7513 0.8710 -0.0078 0.0025 0.0067 135 VAL v O ? ? 1 +48234 C CB A VAL AJ 135 0.4887 0.7530 0.8700 0.0120 0.0025 0.0127 135 VAL v CB ? ? 1 +48235 C CB B VAL AJ 135 0.4872 0.7528 0.8694 0.0120 0.0024 0.0127 135 VAL v CB ? ? 1 +48236 C CG1 A VAL AJ 135 0.4900 0.7503 0.8715 0.0029 0.0041 0.0132 135 VAL v CG1 ? ? 1 +48237 C CG1 B VAL AJ 135 0.4880 0.7500 0.8707 0.0030 0.0039 0.0133 135 VAL v CG1 ? ? 1 +48238 C CG2 A VAL AJ 135 0.4772 0.7541 0.8657 0.0193 0.0009 0.0152 135 VAL v CG2 ? ? 1 +48239 C CG2 B VAL AJ 135 0.4753 0.7539 0.8651 0.0192 0.0007 0.0151 135 VAL v CG2 ? ? 1 +48240 N N . TYR AJ 136 0.5043 0.7532 0.8758 0.0019 0.0035 0.0054 136 TYR v N ? ? 1 +48241 C CA . TYR AJ 136 0.5140 0.7516 0.8796 -0.0063 0.0046 0.0026 136 TYR v CA ? ? 1 +48242 C CB . TYR AJ 136 0.5374 0.7519 0.8864 -0.0046 0.0068 0.0027 136 TYR v CB ? ? 1 +48243 C CG . TYR AJ 136 0.5423 0.7510 0.8878 -0.0036 0.0083 0.0059 136 TYR v CG ? ? 1 +48244 C CD1 . TYR AJ 136 0.5446 0.7499 0.8910 -0.0123 0.0101 0.0063 136 TYR v CD1 ? ? 1 +48245 C CD2 . TYR AJ 136 0.5453 0.7523 0.8869 0.0062 0.0079 0.0085 136 TYR v CD2 ? ? 1 +48246 C CE1 . TYR AJ 136 0.5500 0.7493 0.8924 -0.0114 0.0117 0.0093 136 TYR v CE1 ? ? 1 +48247 C CE2 . TYR AJ 136 0.5499 0.7516 0.8879 0.0074 0.0090 0.0115 136 TYR v CE2 ? ? 1 +48248 C CZ . TYR AJ 136 0.5529 0.7503 0.8908 -0.0013 0.0110 0.0120 136 TYR v CZ ? ? 1 +48249 O OH . TYR AJ 136 0.5593 0.7506 0.8926 0.0002 0.0122 0.0150 136 TYR v OH ? ? 1 +48250 C C . TYR AJ 136 0.5114 0.7522 0.8783 -0.0077 0.0032 -0.0008 136 TYR v C ? ? 1 +48251 O O . TYR AJ 136 0.5242 0.7532 0.8839 -0.0129 0.0040 -0.0035 136 TYR v O ? ? 1 +48252 N N A TYR AJ 137 0.4969 0.7533 0.8727 -0.0031 0.0014 -0.0007 137 TYR v N ? ? 1 +48253 N N B TYR AJ 137 0.4968 0.7531 0.8725 -0.0032 0.0014 -0.0007 137 TYR v N ? ? 1 +48254 C CA A TYR AJ 137 0.4943 0.7550 0.8717 -0.0041 0.0000 -0.0037 137 TYR v CA ? ? 1 +48255 C CA B TYR AJ 137 0.4947 0.7549 0.8717 -0.0042 0.0000 -0.0038 137 TYR v CA ? ? 1 +48256 C C A TYR AJ 137 0.4870 0.7548 0.8720 -0.0140 -0.0011 -0.0057 137 TYR v C ? ? 1 +48257 C C B TYR AJ 137 0.4873 0.7544 0.8719 -0.0142 -0.0010 -0.0058 137 TYR v C ? ? 1 +48258 O O A TYR AJ 137 0.4912 0.7564 0.8739 -0.0172 -0.0019 -0.0088 137 TYR v O ? ? 1 +48259 O O B TYR AJ 137 0.4896 0.7562 0.8730 -0.0169 -0.0021 -0.0088 137 TYR v O ? ? 1 +48260 C CB A TYR AJ 137 0.4806 0.7569 0.8662 0.0029 -0.0014 -0.0027 137 TYR v CB ? ? 1 +48261 C CB B TYR AJ 137 0.4810 0.7567 0.8662 0.0028 -0.0013 -0.0029 137 TYR v CB ? ? 1 +48262 C CG A TYR AJ 137 0.4885 0.7588 0.8667 0.0131 -0.0006 -0.0022 137 TYR v CG ? ? 1 +48263 C CG B TYR AJ 137 0.4885 0.7587 0.8666 0.0131 -0.0006 -0.0022 137 TYR v CG ? ? 1 +48264 C CD1 A TYR AJ 137 0.5069 0.7585 0.8714 0.0163 0.0009 -0.0021 137 TYR v CD1 ? ? 1 +48265 C CD1 B TYR AJ 137 0.5066 0.7585 0.8713 0.0166 0.0009 -0.0020 137 TYR v CD1 ? ? 1 +48266 C CD2 A TYR AJ 137 0.4784 0.7616 0.8631 0.0196 -0.0014 -0.0017 137 TYR v CD2 ? ? 1 +48267 C CD2 B TYR AJ 137 0.4785 0.7617 0.8632 0.0195 -0.0014 -0.0017 137 TYR v CD2 ? ? 1 +48268 C CE1 A TYR AJ 137 0.5147 0.7610 0.8726 0.0261 0.0015 -0.0018 137 TYR v CE1 ? ? 1 +48269 C CE1 B TYR AJ 137 0.5140 0.7612 0.8724 0.0265 0.0014 -0.0015 137 TYR v CE1 ? ? 1 +48270 C CE2 A TYR AJ 137 0.4860 0.7645 0.8646 0.0290 -0.0006 -0.0014 137 TYR v CE2 ? ? 1 +48271 C CE2 B TYR AJ 137 0.4855 0.7647 0.8646 0.0290 -0.0007 -0.0013 137 TYR v CE2 ? ? 1 +48272 C CZ A TYR AJ 137 0.5039 0.7641 0.8692 0.0325 0.0007 -0.0015 137 TYR v CZ ? ? 1 +48273 C CZ B TYR AJ 137 0.5029 0.7643 0.8690 0.0327 0.0006 -0.0012 137 TYR v CZ ? ? 1 +48274 O OH A TYR AJ 137 0.5111 0.7673 0.8708 0.0422 0.0013 -0.0013 137 TYR v OH ? ? 1 +48275 O OH B TYR AJ 137 0.5095 0.7676 0.8706 0.0425 0.0012 -0.0010 137 TYR v OH ? ? 1 +48276 O OXT A TYR AJ 137 0.4762 0.7530 0.8702 -0.0186 -0.0012 -0.0042 137 TYR v OXT ? ? 1 +48277 O OXT B TYR AJ 137 0.4788 0.7527 0.8710 -0.0194 -0.0009 -0.0045 137 TYR v OXT ? ? 1 +48278 N N . THR AK 1 0.5608 1.2386 1.4477 -0.3352 0.0029 -0.1470 2 THR x N ? ? 1 +48279 C CA . THR AK 1 0.5732 1.2401 1.4533 -0.3408 -0.0007 -0.1517 2 THR x CA ? ? 1 +48280 C CB . THR AK 1 0.5978 1.2407 1.4635 -0.3487 0.0093 -0.1496 2 THR x CB ? ? 1 +48281 O OG1 . THR AK 1 0.5921 1.2218 1.4431 -0.3418 0.0152 -0.1410 2 THR x OG1 ? ? 1 +48282 C CG2 . THR AK 1 0.6064 1.2549 1.4864 -0.3620 0.0174 -0.1543 2 THR x CG2 ? ? 1 +48283 C C . THR AK 1 0.5520 1.2140 1.4198 -0.3307 -0.0106 -0.1501 2 THR x C ? ? 1 +48284 O O . THR AK 1 0.5407 1.2072 1.4052 -0.3199 -0.0139 -0.1453 2 THR x O ? ? 1 +48285 N N . ILE AK 2 0.5458 1.1987 1.4069 -0.3345 -0.0151 -0.1544 3 ILE x N ? ? 1 +48286 C CA . ILE AK 2 0.5278 1.1741 1.3760 -0.3259 -0.0239 -0.1534 3 ILE x CA ? ? 1 +48287 C CB . ILE AK 2 0.5338 1.1853 1.3873 -0.3304 -0.0326 -0.1615 3 ILE x CB ? ? 1 +48288 C CG1 . ILE AK 2 0.5329 1.2085 1.4116 -0.3377 -0.0352 -0.1693 3 ILE x CG1 ? ? 1 +48289 C CG2 . ILE AK 2 0.5253 1.1757 1.3688 -0.3195 -0.0426 -0.1602 3 ILE x CG2 ? ? 1 +48290 C CD1 . ILE AK 2 0.5477 1.2197 1.4340 -0.3523 -0.0267 -0.1738 3 ILE x CD1 ? ? 1 +48291 C C . ILE AK 2 0.5240 1.1434 1.3484 -0.3236 -0.0189 -0.1474 3 ILE x C ? ? 1 +48292 O O . ILE AK 2 0.5378 1.1415 1.3529 -0.3301 -0.0172 -0.1499 3 ILE x O ? ? 1 +48293 N N . THR AK 3 0.5040 1.1182 1.3186 -0.3141 -0.0166 -0.1397 4 THR x N ? ? 1 +48294 C CA . THR AK 3 0.5039 1.0936 1.2961 -0.3106 -0.0123 -0.1338 4 THR x CA ? ? 1 +48295 C CB . THR AK 3 0.4908 1.0792 1.2766 -0.3007 -0.0094 -0.1257 4 THR x CB ? ? 1 +48296 O OG1 . THR AK 3 0.4809 1.0816 1.2694 -0.2907 -0.0181 -0.1248 4 THR x OG1 ? ? 1 +48297 C CG2 . THR AK 3 0.4837 1.0816 1.2812 -0.3040 -0.0019 -0.1240 4 THR x CG2 ? ? 1 +48298 C C . THR AK 3 0.5018 1.0810 1.2809 -0.3067 -0.0197 -0.1353 4 THR x C ? ? 1 +48299 O O . THR AK 3 0.4904 1.0822 1.2762 -0.3035 -0.0287 -0.1391 4 THR x O ? ? 1 +48300 N N . PRO AK 4 0.5116 1.0670 1.2712 -0.3068 -0.0160 -0.1324 5 PRO x N ? ? 1 +48301 C CA . PRO AK 4 0.5172 1.0609 1.2622 -0.3019 -0.0224 -0.1329 5 PRO x CA ? ? 1 +48302 C CB . PRO AK 4 0.5295 1.0475 1.2538 -0.3011 -0.0153 -0.1277 5 PRO x CB ? ? 1 +48303 C CG . PRO AK 4 0.5362 1.0508 1.2657 -0.3105 -0.0056 -0.1276 5 PRO x CG ? ? 1 +48304 C CD . PRO AK 4 0.5211 1.0594 1.2711 -0.3112 -0.0055 -0.1284 5 PRO x CD ? ? 1 +48305 C C . PRO AK 4 0.4976 1.0507 1.2412 -0.2897 -0.0304 -0.1303 5 PRO x C ? ? 1 +48306 O O . PRO AK 4 0.4981 1.0533 1.2399 -0.2874 -0.0385 -0.1339 5 PRO x O ? ? 1 +48307 N N . SER AK 5 0.4792 1.0377 1.2235 -0.2821 -0.0282 -0.1242 6 SER x N ? ? 1 +48308 C CA . SER AK 5 0.4667 1.0332 1.2091 -0.2707 -0.0350 -0.1212 6 SER x CA ? ? 1 +48309 C CB . SER AK 5 0.4565 1.0195 1.1925 -0.2627 -0.0303 -0.1131 6 SER x CB ? ? 1 +48310 O OG . SER AK 5 0.4495 1.0265 1.2000 -0.2650 -0.0262 -0.1123 6 SER x OG ? ? 1 +48311 C C . SER AK 5 0.4527 1.0431 1.2133 -0.2698 -0.0424 -0.1256 6 SER x C ? ? 1 +48312 O O . SER AK 5 0.4416 1.0376 1.2003 -0.2623 -0.0501 -0.1257 6 SER x O ? ? 1 +48313 N N . LEU AK 6 0.4529 1.0575 1.2312 -0.2774 -0.0400 -0.1295 7 LEU x N ? ? 1 +48314 C CA . LEU AK 6 0.4434 1.0706 1.2395 -0.2772 -0.0473 -0.1345 7 LEU x CA ? ? 1 +48315 C CB . LEU AK 6 0.4431 1.0854 1.2586 -0.2851 -0.0425 -0.1374 7 LEU x CB ? ? 1 +48316 C CG . LEU AK 6 0.4363 1.1038 1.2719 -0.2845 -0.0497 -0.1426 7 LEU x CG ? ? 1 +48317 C CD1 . LEU AK 6 0.4217 1.0982 1.2564 -0.2721 -0.0555 -0.1384 7 LEU x CD1 ? ? 1 +48318 C CD2 . LEU AK 6 0.4321 1.1138 1.2866 -0.2922 -0.0439 -0.1451 7 LEU x CD2 ? ? 1 +48319 C C . LEU AK 6 0.4498 1.0765 1.2450 -0.2802 -0.0551 -0.1412 7 LEU x C ? ? 1 +48320 O O . LEU AK 6 0.4388 1.0769 1.2382 -0.2747 -0.0639 -0.1435 7 LEU x O ? ? 1 +48321 N N . LYS AK 7 0.4682 1.0807 1.2571 -0.2889 -0.0518 -0.1443 8 LYS x N ? ? 1 +48322 C CA . LYS AK 7 0.4818 1.0894 1.2663 -0.2919 -0.0584 -0.1503 8 LYS x CA ? ? 1 +48323 C CB . LYS AK 7 0.5080 1.0988 1.2862 -0.3029 -0.0522 -0.1530 8 LYS x CB ? ? 1 +48324 C CG . LYS AK 7 0.5321 1.1082 1.2972 -0.3047 -0.0568 -0.1568 8 LYS x CG ? ? 1 +48325 C CD . LYS AK 7 0.5586 1.1176 1.3179 -0.3159 -0.0494 -0.1590 8 LYS x CD ? ? 1 +48326 C CE . LYS AK 7 0.5825 1.1296 1.3326 -0.3202 -0.0542 -0.1647 8 LYS x CE ? ? 1 +48327 N NZ . LYS AK 7 0.5926 1.1178 1.3191 -0.3127 -0.0543 -0.1600 8 LYS x NZ ? ? 1 +48328 C C . LYS AK 7 0.4739 1.0722 1.2418 -0.2812 -0.0643 -0.1468 8 LYS x C ? ? 1 +48329 O O . LYS AK 7 0.4713 1.0774 1.2410 -0.2778 -0.0733 -0.1505 8 LYS x O ? ? 1 +48330 N N . GLY AK 8 0.4697 1.0516 1.2214 -0.2756 -0.0590 -0.1398 9 GLY x N ? ? 1 +48331 C CA . GLY AK 8 0.4633 1.0369 1.1996 -0.2649 -0.0633 -0.1356 9 GLY x CA ? ? 1 +48332 C C . GLY AK 8 0.4448 1.0360 1.1888 -0.2562 -0.0708 -0.1350 9 GLY x C ? ? 1 +48333 O O . GLY AK 8 0.4413 1.0316 1.1784 -0.2504 -0.0781 -0.1361 9 GLY x O ? ? 1 +48334 N N . PHE AK 9 0.4315 1.0385 1.1897 -0.2554 -0.0688 -0.1333 10 PHE x N ? ? 1 +48335 C CA . PHE AK 9 0.4198 1.0446 1.1871 -0.2478 -0.0754 -0.1329 10 PHE x CA ? ? 1 +48336 C CB . PHE AK 9 0.4026 1.0415 1.1842 -0.2479 -0.0707 -0.1303 10 PHE x CB ? ? 1 +48337 C CG . PHE AK 9 0.3861 1.0427 1.1768 -0.2398 -0.0770 -0.1295 10 PHE x CG ? ? 1 +48338 C CD1 . PHE AK 9 0.3768 1.0298 1.1570 -0.2291 -0.0786 -0.1235 10 PHE x CD1 ? ? 1 +48339 C CD2 . PHE AK 9 0.3810 1.0577 1.1902 -0.2428 -0.0816 -0.1351 10 PHE x CD2 ? ? 1 +48340 C CE1 . PHE AK 9 0.3636 1.0319 1.1514 -0.2218 -0.0843 -0.1228 10 PHE x CE1 ? ? 1 +48341 C CE2 . PHE AK 9 0.3678 1.0600 1.1846 -0.2350 -0.0875 -0.1343 10 PHE x CE2 ? ? 1 +48342 C CZ . PHE AK 9 0.3598 1.0472 1.1654 -0.2246 -0.0888 -0.1281 10 PHE x CZ ? ? 1 +48343 C C . PHE AK 9 0.4326 1.0701 1.2093 -0.2497 -0.0848 -0.1404 10 PHE x C ? ? 1 +48344 O O . PHE AK 9 0.4335 1.0752 1.2064 -0.2418 -0.0922 -0.1401 10 PHE x O ? ? 1 +48345 N N . PHE AK 10 0.4487 1.0922 1.2373 -0.2601 -0.0846 -0.1471 11 PHE x N ? ? 1 +48346 C CA . PHE AK 10 0.4623 1.1181 1.2601 -0.2622 -0.0939 -0.1546 11 PHE x CA ? ? 1 +48347 C CB . PHE AK 10 0.4753 1.1406 1.2900 -0.2745 -0.0921 -0.1618 11 PHE x CB ? ? 1 +48348 C CG . PHE AK 10 0.4719 1.1553 1.3053 -0.2761 -0.0885 -0.1612 11 PHE x CG ? ? 1 +48349 C CD1 . PHE AK 10 0.4632 1.1644 1.3063 -0.2682 -0.0940 -0.1604 11 PHE x CD1 ? ? 1 +48350 C CD2 . PHE AK 10 0.4809 1.1632 1.3217 -0.2852 -0.0793 -0.1615 11 PHE x CD2 ? ? 1 +48351 C CE1 . PHE AK 10 0.4541 1.1716 1.3140 -0.2693 -0.0905 -0.1598 11 PHE x CE1 ? ? 1 +48352 C CE2 . PHE AK 10 0.4735 1.1722 1.3311 -0.2863 -0.0757 -0.1609 11 PHE x CE2 ? ? 1 +48353 C CZ . PHE AK 10 0.4602 1.1765 1.3273 -0.2782 -0.0813 -0.1601 11 PHE x CZ ? ? 1 +48354 C C . PHE AK 10 0.4774 1.1197 1.2594 -0.2598 -0.0998 -0.1566 11 PHE x C ? ? 1 +48355 O O . PHE AK 10 0.4828 1.1334 1.2663 -0.2554 -0.1090 -0.1599 11 PHE x O ? ? 1 +48356 N N . ILE AK 11 0.4909 1.1122 1.2575 -0.2628 -0.0947 -0.1549 12 ILE x N ? ? 1 +48357 C CA . ILE AK 11 0.5049 1.1116 1.2550 -0.2602 -0.0994 -0.1563 12 ILE x CA ? ? 1 +48358 C CB . ILE AK 11 0.5230 1.1060 1.2572 -0.2644 -0.0921 -0.1542 12 ILE x CB ? ? 1 +48359 C CG1 . ILE AK 11 0.5373 1.1188 1.2798 -0.2779 -0.0888 -0.1605 12 ILE x CG1 ? ? 1 +48360 C CG2 . ILE AK 11 0.5328 1.0994 1.2470 -0.2586 -0.0962 -0.1535 12 ILE x CG2 ? ? 1 +48361 C CD1 . ILE AK 11 0.5547 1.1114 1.2811 -0.2829 -0.0815 -0.1590 12 ILE x CD1 ? ? 1 +48362 C C . ILE AK 11 0.4943 1.1012 1.2346 -0.2475 -0.1043 -0.1515 12 ILE x C ? ? 1 +48363 O O . ILE AK 11 0.5019 1.1106 1.2381 -0.2438 -0.1126 -0.1547 12 ILE x O ? ? 1 +48364 N N . GLY AK 12 0.4774 1.0822 1.2138 -0.2411 -0.0990 -0.1439 13 GLY x N ? ? 1 +48365 C CA . GLY AK 12 0.4669 1.0730 1.1955 -0.2294 -0.1028 -0.1391 13 GLY x CA ? ? 1 +48366 C C . GLY AK 12 0.4570 1.0825 1.1974 -0.2255 -0.1117 -0.1424 13 GLY x C ? ? 1 +48367 O O . GLY AK 12 0.4582 1.0827 1.1903 -0.2185 -0.1184 -0.1425 13 GLY x O ? ? 1 +48368 N N . LEU AK 13 0.4493 1.0922 1.2087 -0.2301 -0.1115 -0.1452 14 LEU x N ? ? 1 +48369 C CA . LEU AK 13 0.4408 1.1033 1.2129 -0.2263 -0.1194 -0.1482 14 LEU x CA ? ? 1 +48370 C CB . LEU AK 13 0.4345 1.1142 1.2273 -0.2317 -0.1162 -0.1498 14 LEU x CB ? ? 1 +48371 C CG . LEU AK 13 0.4245 1.1244 1.2302 -0.2255 -0.1219 -0.1501 14 LEU x CG ? ? 1 +48372 C CD1 . LEU AK 13 0.4136 1.1106 1.2096 -0.2141 -0.1217 -0.1424 14 LEU x CD1 ? ? 1 +48373 C CD2 . LEU AK 13 0.4194 1.1352 1.2453 -0.2313 -0.1177 -0.1518 14 LEU x CD2 ? ? 1 +48374 C C . LEU AK 13 0.4476 1.1123 1.2194 -0.2284 -0.1286 -0.1555 14 LEU x C ? ? 1 +48375 O O . LEU AK 13 0.4481 1.1180 1.2168 -0.2209 -0.1364 -0.1560 14 LEU x O ? ? 1 +48376 N N . LEU AK 14 0.4570 1.1169 1.2312 -0.2384 -0.1276 -0.1613 15 LEU x N ? ? 1 +48377 C CA . LEU AK 14 0.4653 1.1260 1.2387 -0.2414 -0.1361 -0.1687 15 LEU x CA ? ? 1 +48378 C CB . LEU AK 14 0.4817 1.1372 1.2597 -0.2540 -0.1329 -0.1747 15 LEU x CB ? ? 1 +48379 C CG . LEU AK 14 0.4892 1.1637 1.2887 -0.2624 -0.1371 -0.1830 15 LEU x CG ? ? 1 +48380 C CD1 . LEU AK 14 0.5044 1.1760 1.3008 -0.2667 -0.1452 -0.1910 15 LEU x CD1 ? ? 1 +48381 C CD2 . LEU AK 14 0.4768 1.1745 1.2926 -0.2569 -0.1420 -0.1833 15 LEU x CD2 ? ? 1 +48382 C C . LEU AK 14 0.4659 1.1108 1.2183 -0.2343 -0.1401 -0.1669 15 LEU x C ? ? 1 +48383 O O . LEU AK 14 0.4675 1.1169 1.2180 -0.2307 -0.1492 -0.1707 15 LEU x O ? ? 1 +48384 N N . SER AK 15 0.4626 1.0887 1.1991 -0.2324 -0.1332 -0.1612 16 SER x N ? ? 1 +48385 C CA . SER AK 15 0.4648 1.0753 1.1810 -0.2253 -0.1356 -0.1587 16 SER x CA ? ? 1 +48386 C CB . SER AK 15 0.4667 1.0580 1.1685 -0.2245 -0.1266 -0.1525 16 SER x CB ? ? 1 +48387 O OG . SER AK 15 0.4800 1.0591 1.1786 -0.2339 -0.1226 -0.1559 16 SER x OG ? ? 1 +48388 C C . SER AK 15 0.4524 1.0703 1.1653 -0.2140 -0.1415 -0.1554 16 SER x C ? ? 1 +48389 O O . SER AK 15 0.4602 1.0759 1.1651 -0.2099 -0.1489 -0.1580 16 SER x O ? ? 1 +48390 N N . GLY AK 16 0.4345 1.0607 1.1536 -0.2090 -0.1379 -0.1497 17 GLY x N ? ? 1 +48391 C CA . GLY AK 16 0.4243 1.0592 1.1426 -0.1988 -0.1429 -0.1465 17 GLY x CA ? ? 1 +48392 C C . GLY AK 16 0.4264 1.0767 1.1542 -0.1979 -0.1531 -0.1526 17 GLY x C ? ? 1 +48393 O O . GLY AK 16 0.4278 1.0772 1.1467 -0.1904 -0.1597 -0.1525 17 GLY x O ? ? 1 +48394 N N . ALA AK 17 0.4267 1.0911 1.1727 -0.2056 -0.1544 -0.1582 18 ALA x N ? ? 1 +48395 C CA . ALA AK 17 0.4254 1.1063 1.1828 -0.2052 -0.1641 -0.1645 18 ALA x CA ? ? 1 +48396 C CB . ALA AK 17 0.4215 1.1182 1.2005 -0.2142 -0.1631 -0.1697 18 ALA x CB ? ? 1 +48397 C C . ALA AK 17 0.4422 1.1148 1.1886 -0.2057 -0.1716 -0.1699 18 ALA x C ? ? 1 +48398 O O . ALA AK 17 0.4413 1.1195 1.1851 -0.1993 -0.1803 -0.1717 18 ALA x O ? ? 1 +48399 N N . VAL AK 18 0.4584 1.1167 1.1975 -0.2130 -0.1681 -0.1723 19 VAL x N ? ? 1 +48400 C CA . VAL AK 18 0.4771 1.1261 1.2053 -0.2144 -0.1746 -0.1777 19 VAL x CA ? ? 1 +48401 C CB . VAL AK 18 0.4903 1.1253 1.2143 -0.2247 -0.1695 -0.1809 19 VAL x CB ? ? 1 +48402 C CG1 . VAL AK 18 0.5066 1.1262 1.2131 -0.2238 -0.1745 -0.1842 19 VAL x CG1 ? ? 1 +48403 C CG2 . VAL AK 18 0.4911 1.1394 1.2351 -0.2357 -0.1698 -0.1878 19 VAL x CG2 ? ? 1 +48404 C C . VAL AK 18 0.4820 1.1189 1.1902 -0.2039 -0.1772 -0.1733 19 VAL x C ? ? 1 +48405 O O . VAL AK 18 0.4924 1.1308 1.1953 -0.2001 -0.1861 -0.1769 19 VAL x O ? ? 1 +48406 N N . VAL AK 19 0.4775 1.1028 1.1747 -0.1993 -0.1696 -0.1655 20 VAL x N ? ? 1 +48407 C CA . VAL AK 19 0.4803 1.0942 1.1589 -0.1894 -0.1711 -0.1608 20 VAL x CA ? ? 1 +48408 C CB . VAL AK 19 0.4754 1.0758 1.1435 -0.1862 -0.1612 -0.1526 20 VAL x CB ? ? 1 +48409 C CG1 . VAL AK 19 0.4716 1.0643 1.1238 -0.1751 -0.1623 -0.1471 20 VAL x CG1 ? ? 1 +48410 C CG2 . VAL AK 19 0.4878 1.0711 1.1473 -0.1932 -0.1555 -0.1538 20 VAL x CG2 ? ? 1 +48411 C C . VAL AK 19 0.4753 1.1027 1.1575 -0.1807 -0.1783 -0.1599 20 VAL x C ? ? 1 +48412 O O . VAL AK 19 0.4849 1.1084 1.1562 -0.1754 -0.1852 -0.1616 20 VAL x O ? ? 1 +48413 N N . LEU AK 20 0.4661 1.1087 1.1630 -0.1793 -0.1768 -0.1574 21 LEU x N ? ? 1 +48414 C CA . LEU AK 20 0.4673 1.1231 1.1685 -0.1714 -0.1836 -0.1568 21 LEU x CA ? ? 1 +48415 C CB . LEU AK 20 0.4539 1.1247 1.1713 -0.1707 -0.1799 -0.1535 21 LEU x CB ? ? 1 +48416 C CG . LEU AK 20 0.4468 1.1118 1.1585 -0.1654 -0.1717 -0.1445 21 LEU x CG ? ? 1 +48417 C CD1 . LEU AK 20 0.4338 1.1149 1.1577 -0.1603 -0.1726 -0.1417 21 LEU x CD1 ? ? 1 +48418 C CD2 . LEU AK 20 0.4528 1.1018 1.1434 -0.1574 -0.1711 -0.1395 21 LEU x CD2 ? ? 1 +48419 C C . LEU AK 20 0.4843 1.1505 1.1919 -0.1729 -0.1944 -0.1649 21 LEU x C ? ? 1 +48420 O O . LEU AK 20 0.4895 1.1567 1.1893 -0.1654 -0.2017 -0.1652 21 LEU x O ? ? 1 +48421 N N . GLY AK 21 0.4949 1.1691 1.2167 -0.1826 -0.1953 -0.1715 22 GLY x N ? ? 1 +48422 C CA . GLY AK 21 0.5089 1.1937 1.2382 -0.1850 -0.2055 -0.1798 22 GLY x CA ? ? 1 +48423 C C . GLY AK 21 0.5332 1.2052 1.2445 -0.1818 -0.2121 -0.1826 22 GLY x C ? ? 1 +48424 O O . GLY AK 21 0.5372 1.2148 1.2455 -0.1753 -0.2210 -0.1846 22 GLY x O ? ? 1 +48425 N N . LEU AK 22 0.5543 1.2084 1.2529 -0.1862 -0.2076 -0.1827 23 LEU x N ? ? 1 +48426 C CA . LEU AK 22 0.5776 1.2176 1.2579 -0.1836 -0.2129 -0.1852 23 LEU x CA ? ? 1 +48427 C CB . LEU AK 22 0.5918 1.2118 1.2595 -0.1891 -0.2059 -0.1846 23 LEU x CB ? ? 1 +48428 C CG . LEU AK 22 0.6043 1.2239 1.2807 -0.2014 -0.2056 -0.1920 23 LEU x CG ? ? 1 +48429 C CD1 . LEU AK 22 0.6227 1.2207 1.2809 -0.2040 -0.2033 -0.1929 23 LEU x CD1 ? ? 1 +48430 C CD2 . LEU AK 22 0.6079 1.2435 1.2975 -0.2050 -0.2161 -0.2008 23 LEU x CD2 ? ? 1 +48431 C C . LEU AK 22 0.5780 1.2129 1.2432 -0.1715 -0.2154 -0.1797 23 LEU x C ? ? 1 +48432 O O . LEU AK 22 0.5950 1.2298 1.2526 -0.1670 -0.2242 -0.1831 23 LEU x O ? ? 1 +48433 N N . THR AK 23 0.5598 1.1903 1.2206 -0.1664 -0.2077 -0.1714 24 THR x N ? ? 1 +48434 C CA . THR AK 23 0.5565 1.1823 1.2038 -0.1553 -0.2090 -0.1657 24 THR x CA ? ? 1 +48435 C CB . THR AK 23 0.5429 1.1666 1.1899 -0.1515 -0.1996 -0.1569 24 THR x CB ? ? 1 +48436 O OG1 . THR AK 23 0.5437 1.1513 1.1814 -0.1551 -0.1913 -0.1542 24 THR x OG1 ? ? 1 +48437 C CG2 . THR AK 23 0.5401 1.1613 1.1757 -0.1403 -0.2010 -0.1512 24 THR x CG2 ? ? 1 +48438 C C . THR AK 23 0.5547 1.1952 1.2082 -0.1497 -0.2189 -0.1684 24 THR x C ? ? 1 +48439 O O . THR AK 23 0.5662 1.2016 1.2069 -0.1441 -0.2257 -0.1700 24 THR x O ? ? 1 +48440 N N . PHE AK 24 0.5453 1.2040 1.2181 -0.1513 -0.2196 -0.1692 25 PHE x N ? ? 1 +48441 C CA . PHE AK 24 0.5488 1.2221 1.2282 -0.1456 -0.2287 -0.1714 25 PHE x CA ? ? 1 +48442 C CB . PHE AK 24 0.5381 1.2303 1.2388 -0.1469 -0.2270 -0.1705 25 PHE x CB ? ? 1 +48443 C CG . PHE AK 24 0.5339 1.2251 1.2313 -0.1394 -0.2211 -0.1617 25 PHE x CG ? ? 1 +48444 C CD1 . PHE AK 24 0.5376 1.2289 1.2258 -0.1291 -0.2257 -0.1584 25 PHE x CD1 ? ? 1 +48445 C CD2 . PHE AK 24 0.5298 1.2187 1.2320 -0.1427 -0.2107 -0.1567 25 PHE x CD2 ? ? 1 +48446 C CE1 . PHE AK 24 0.5281 1.2180 1.2130 -0.1226 -0.2200 -0.1504 25 PHE x CE1 ? ? 1 +48447 C CE2 . PHE AK 24 0.5194 1.2072 1.2183 -0.1360 -0.2054 -0.1488 25 PHE x CE2 ? ? 1 +48448 C CZ . PHE AK 24 0.5190 1.2074 1.2095 -0.1261 -0.2101 -0.1457 25 PHE x CZ ? ? 1 +48449 C C . PHE AK 24 0.5610 1.2380 1.2411 -0.1482 -0.2393 -0.1803 25 PHE x C ? ? 1 +48450 O O . PHE AK 24 0.5667 1.2461 1.2403 -0.1410 -0.2477 -0.1815 25 PHE x O ? ? 1 +48451 N N . ALA AK 25 0.5668 1.2433 1.2538 -0.1584 -0.2389 -0.1864 26 ALA x N ? ? 1 +48452 C CA . ALA AK 25 0.5808 1.2602 1.2685 -0.1618 -0.2487 -0.1952 26 ALA x CA ? ? 1 +48453 C CB . ALA AK 25 0.5874 1.2662 1.2846 -0.1743 -0.2459 -0.2011 26 ALA x CB ? ? 1 +48454 C C . ALA AK 25 0.5931 1.2560 1.2574 -0.1556 -0.2532 -0.1951 26 ALA x C ? ? 1 +48455 O O . ALA AK 25 0.5991 1.2663 1.2597 -0.1509 -0.2632 -0.1989 26 ALA x O ? ? 1 +48456 N N . VAL AK 26 0.5949 1.2389 1.2431 -0.1555 -0.2458 -0.1906 27 VAL x N ? ? 1 +48457 C CA . VAL AK 26 0.6090 1.2363 1.2344 -0.1498 -0.2488 -0.1901 27 VAL x CA ? ? 1 +48458 C CB . VAL AK 26 0.6174 1.2249 1.2285 -0.1514 -0.2390 -0.1855 27 VAL x CB ? ? 1 +48459 C CG1 . VAL AK 26 0.6312 1.2215 1.2180 -0.1437 -0.2407 -0.1833 27 VAL x CG1 ? ? 1 +48460 C CG2 . VAL AK 26 0.6242 1.2273 1.2410 -0.1630 -0.2362 -0.1909 27 VAL x CG2 ? ? 1 +48461 C C . VAL AK 26 0.6018 1.2313 1.2185 -0.1380 -0.2531 -0.1857 27 VAL x C ? ? 1 +48462 O O . VAL AK 26 0.6158 1.2430 1.2224 -0.1334 -0.2619 -0.1892 27 VAL x O ? ? 1 +48463 N N . LEU AK 27 0.5805 1.2141 1.2008 -0.1331 -0.2471 -0.1782 28 LEU x N ? ? 1 +48464 C CA . LEU AK 27 0.5718 1.2068 1.1840 -0.1222 -0.2501 -0.1735 28 LEU x CA ? ? 1 +48465 C CB . LEU AK 27 0.5556 1.1944 1.1737 -0.1190 -0.2415 -0.1653 28 LEU x CB ? ? 1 +48466 C CG . LEU AK 27 0.5565 1.1794 1.1628 -0.1187 -0.2309 -0.1587 28 LEU x CG ? ? 1 +48467 C CD1 . LEU AK 27 0.5400 1.1674 1.1512 -0.1144 -0.2240 -0.1509 28 LEU x CD1 ? ? 1 +48468 C CD2 . LEU AK 27 0.5712 1.1768 1.1541 -0.1129 -0.2322 -0.1573 28 LEU x CD2 ? ? 1 +48469 C C . LEU AK 27 0.5695 1.2196 1.1898 -0.1188 -0.2614 -0.1785 28 LEU x C ? ? 1 +48470 O O . LEU AK 27 0.5771 1.2231 1.1841 -0.1109 -0.2678 -0.1782 28 LEU x O ? ? 1 +48471 N N . ILE AK 28 0.5559 1.2235 1.1979 -0.1248 -0.2638 -0.1830 29 ILE x N ? ? 1 +48472 C CA . ILE AK 28 0.5523 1.2356 1.2039 -0.1222 -0.2748 -0.1885 29 ILE x CA ? ? 1 +48473 C CB . ILE AK 28 0.5374 1.2413 1.2156 -0.1292 -0.2754 -0.1928 29 ILE x CB ? ? 1 +48474 C CG1 . ILE AK 28 0.5189 1.2300 1.2076 -0.1276 -0.2669 -0.1858 29 ILE x CG1 ? ? 1 +48475 C CG2 . ILE AK 28 0.5397 1.2591 1.2269 -0.1263 -0.2876 -0.1992 29 ILE x CG2 ? ? 1 +48476 C CD1 . ILE AK 28 0.5069 1.2344 1.2200 -0.1359 -0.2641 -0.1889 29 ILE x CD1 ? ? 1 +48477 C C . ILE AK 28 0.5682 1.2450 1.2088 -0.1227 -0.2841 -0.1956 29 ILE x C ? ? 1 +48478 O O . ILE AK 28 0.5727 1.2517 1.2064 -0.1154 -0.2931 -0.1972 29 ILE x O ? ? 1 +48479 N N . ALA AK 29 0.5789 1.2467 1.2171 -0.1312 -0.2819 -0.1997 30 ALA x N ? ? 1 +48480 C CA . ALA AK 29 0.5996 1.2608 1.2279 -0.1328 -0.2903 -0.2070 30 ALA x CA ? ? 1 +48481 C CB . ALA AK 29 0.6066 1.2579 1.2343 -0.1433 -0.2856 -0.2106 30 ALA x CB ? ? 1 +48482 C C . ALA AK 29 0.6140 1.2599 1.2175 -0.1230 -0.2933 -0.2037 30 ALA x C ? ? 1 +48483 O O . ALA AK 29 0.6243 1.2724 1.2218 -0.1184 -0.3037 -0.2080 30 ALA x O ? ? 1 +48484 N N . ILE AK 30 0.6178 1.2486 1.2072 -0.1198 -0.2840 -0.1961 31 ILE x N ? ? 1 +48485 C CA . ILE AK 30 0.6337 1.2488 1.1992 -0.1108 -0.2848 -0.1922 31 ILE x CA ? ? 1 +48486 C CB . ILE AK 30 0.6304 1.2303 1.1847 -0.1096 -0.2727 -0.1842 31 ILE x CB ? ? 1 +48487 C CG1 . ILE AK 30 0.6397 1.2284 1.1916 -0.1186 -0.2675 -0.1870 31 ILE x CG1 ? ? 1 +48488 C CG2 . ILE AK 30 0.6368 1.2227 1.1682 -0.0994 -0.2724 -0.1790 31 ILE x CG2 ? ? 1 +48489 C CD1 . ILE AK 30 0.6355 1.2109 1.1792 -0.1182 -0.2554 -0.1796 31 ILE x CD1 ? ? 1 +48490 C C . ILE AK 30 0.6370 1.2597 1.2001 -0.1005 -0.2908 -0.1895 31 ILE x C ? ? 1 +48491 O O . ILE AK 30 0.6496 1.2656 1.1971 -0.0942 -0.2980 -0.1910 31 ILE x O ? ? 1 +48492 N N . SER AK 31 0.6291 1.2648 1.2065 -0.0988 -0.2875 -0.1852 32 SER x N ? ? 1 +48493 C CA . SER AK 31 0.6333 1.2765 1.2096 -0.0892 -0.2924 -0.1821 32 SER x CA ? ? 1 +48494 C CB . SER AK 31 0.6177 1.2740 1.2111 -0.0891 -0.2865 -0.1771 32 SER x CB ? ? 1 +48495 O OG . SER AK 31 0.6222 1.2964 1.2387 -0.0960 -0.2897 -0.1829 32 SER x OG ? ? 1 +48496 C C . SER AK 31 0.6476 1.3014 1.2278 -0.0873 -0.3058 -0.1897 32 SER x C ? ? 1 +48497 O O . SER AK 31 0.6524 1.3054 1.2224 -0.0783 -0.3121 -0.1885 32 SER x O ? ? 1 +48498 N N . GLN AK 32 0.6575 1.3215 1.2530 -0.0960 -0.3101 -0.1977 33 GLN x N ? ? 1 +48499 C CA . GLN AK 32 0.6785 1.3534 1.2793 -0.0952 -0.3231 -0.2058 33 GLN x CA ? ? 1 +48500 C CB . GLN AK 32 0.6657 1.3565 1.2906 -0.1060 -0.3248 -0.2132 33 GLN x CB ? ? 1 +48501 C CG . GLN AK 32 0.6391 1.3476 1.2868 -0.1079 -0.3202 -0.2106 33 GLN x CG ? ? 1 +48502 C CD . GLN AK 32 0.6320 1.3562 1.2878 -0.1002 -0.3288 -0.2115 33 GLN x CD ? ? 1 +48503 O OE1 . GLN AK 32 0.6526 1.3810 1.3055 -0.0970 -0.3404 -0.2175 33 GLN x OE1 ? ? 1 +48504 N NE2 . GLN AK 32 0.6110 1.3439 1.2765 -0.0968 -0.3237 -0.2056 33 GLN x NE2 ? ? 1 +48505 C C . GLN AK 32 0.7196 1.3800 1.2995 -0.0927 -0.3301 -0.2099 33 GLN x C ? ? 1 +48506 O O . GLN AK 32 0.7310 1.3947 1.3051 -0.0863 -0.3405 -0.2130 33 GLN x O ? ? 1 +48507 N N . ILE AK 33 0.7583 1.4024 1.3263 -0.0975 -0.3244 -0.2098 34 ILE x N ? ? 1 +48508 C CA . ILE AK 33 0.8077 1.4364 1.3545 -0.0952 -0.3301 -0.2133 34 ILE x CA ? ? 1 +48509 C CB . ILE AK 33 0.8222 1.4356 1.3617 -0.1030 -0.3229 -0.2142 34 ILE x CB ? ? 1 +48510 C CG1 . ILE AK 33 0.8254 1.4489 1.3842 -0.1151 -0.3240 -0.2218 34 ILE x CG1 ? ? 1 +48511 C CG2 . ILE AK 33 0.8426 1.4370 1.3565 -0.0990 -0.3267 -0.2159 34 ILE x CG2 ? ? 1 +48512 C CD1 . ILE AK 33 0.8323 1.4415 1.3863 -0.1231 -0.3149 -0.2213 34 ILE x CD1 ? ? 1 +48513 C C . ILE AK 33 0.8421 1.4588 1.3668 -0.0834 -0.3303 -0.2070 34 ILE x C ? ? 1 +48514 O O . ILE AK 33 0.8720 1.4865 1.3852 -0.0774 -0.3400 -0.2101 34 ILE x O ? ? 1 +48515 N N . ASP AK 34 0.8577 1.4663 1.3766 -0.0806 -0.3194 -0.1981 35 ASP x N ? ? 1 +48516 C CA . ASP AK 34 0.8988 1.4932 1.3957 -0.0708 -0.3168 -0.1914 35 ASP x CA ? ? 1 +48517 C CB . ASP AK 34 0.8990 1.4791 1.3882 -0.0734 -0.3039 -0.1854 35 ASP x CB ? ? 1 +48518 C CG . ASP AK 34 0.8996 1.4635 1.3664 -0.0648 -0.2991 -0.1784 35 ASP x CG ? ? 1 +48519 O OD1 . ASP AK 34 0.9142 1.4741 1.3670 -0.0570 -0.3061 -0.1788 35 ASP x OD1 ? ? 1 +48520 O OD2 . ASP AK 34 0.8978 1.4532 1.3612 -0.0659 -0.2883 -0.1726 35 ASP x OD2 ? ? 1 +48521 C C . ASP AK 34 0.9200 1.5239 1.4210 -0.0625 -0.3176 -0.1859 35 ASP x C ? ? 1 +48522 O O . ASP AK 34 0.8806 1.4807 1.3793 -0.0594 -0.3085 -0.1779 35 ASP x O ? ? 1 +48523 N N . LYS AK 35 0.9674 1.5837 1.4745 -0.0591 -0.3286 -0.1905 36 LYS x N ? ? 1 +48524 C CA . LYS AK 35 1.0076 1.6346 1.5209 -0.0518 -0.3304 -0.1862 36 LYS x CA ? ? 1 +48525 C CB . LYS AK 35 0.9876 1.6314 1.5134 -0.0508 -0.3430 -0.1933 36 LYS x CB ? ? 1 +48526 C CG . LYS AK 35 0.9665 1.6271 1.5178 -0.0608 -0.3439 -0.1994 36 LYS x CG ? ? 1 +48527 C CD . LYS AK 35 0.9562 1.6379 1.5261 -0.0584 -0.3520 -0.2026 36 LYS x CD ? ? 1 +48528 C CE . LYS AK 35 0.9568 1.6537 1.5472 -0.0677 -0.3578 -0.2121 36 LYS x CE ? ? 1 +48529 N NZ . LYS AK 35 0.9390 1.6566 1.5467 -0.0646 -0.3666 -0.2158 36 LYS x NZ ? ? 1 +48530 C C . LYS AK 35 1.1002 1.7137 1.5910 -0.0410 -0.3291 -0.1795 36 LYS x C ? ? 1 +48531 O O . LYS AK 35 1.1721 1.7698 1.6420 -0.0382 -0.3305 -0.1800 36 LYS x O ? ? 1 +48532 N N . VAL AK 36 1.1400 1.7598 1.6353 -0.0352 -0.3263 -0.1733 37 VAL x N ? ? 1 +48533 C CA . VAL AK 36 1.1788 1.7876 1.6546 -0.0249 -0.3255 -0.1670 37 VAL x CA ? ? 1 +48534 C CB . VAL AK 36 1.1705 1.7819 1.6520 -0.0221 -0.3159 -0.1582 37 VAL x CB ? ? 1 +48535 C CG1 . VAL AK 36 1.1902 1.7881 1.6501 -0.0122 -0.3139 -0.1515 37 VAL x CG1 ? ? 1 +48536 C CG2 . VAL AK 36 1.1401 1.7489 1.6295 -0.0298 -0.3040 -0.1550 37 VAL x CG2 ? ? 1 +48537 C C . VAL AK 36 1.2263 1.8404 1.6975 -0.0177 -0.3384 -0.1709 37 VAL x C ? ? 1 +48538 O O . VAL AK 36 1.2522 1.8835 1.7412 -0.0192 -0.3455 -0.1757 37 VAL x O ? ? 1 +48539 N N . GLN AK 37 1.2546 1.8538 1.7016 -0.0099 -0.3413 -0.1692 38 GLN x N ? ? 1 +48540 C CA . GLN AK 37 1.2856 1.8869 1.7243 -0.0023 -0.3536 -0.1727 38 GLN x CA ? ? 1 +48541 C CB . GLN AK 37 1.3067 1.8917 1.7217 0.0002 -0.3592 -0.1764 38 GLN x CB ? ? 1 +48542 C CG . GLN AK 37 1.3082 1.8873 1.7234 -0.0090 -0.3573 -0.1817 38 GLN x CG ? ? 1 +48543 C CD . GLN AK 37 1.3123 1.9059 1.7452 -0.0160 -0.3666 -0.1914 38 GLN x CD ? ? 1 +48544 O OE1 . GLN AK 37 1.3129 1.9080 1.7402 -0.0133 -0.3784 -0.1979 38 GLN x OE1 ? ? 1 +48545 N NE2 . GLN AK 37 1.3029 1.9070 1.7570 -0.0256 -0.3613 -0.1930 38 GLN x NE2 ? ? 1 +48546 C C . GLN AK 37 1.2719 1.8715 1.7037 0.0072 -0.3513 -0.1649 38 GLN x C ? ? 1 +48547 O O . GLN AK 37 1.2641 1.8532 1.6869 0.0089 -0.3409 -0.1573 38 GLN x O ? ? 1 +48548 N N . ARG AK 38 1.2562 1.8666 1.6928 0.0131 -0.3609 -0.1670 39 ARG x N ? ? 1 +48549 C CA . ARG AK 38 1.2227 1.8315 1.6523 0.0225 -0.3599 -0.1602 39 ARG x CA ? ? 1 +48550 C CB . ARG AK 38 1.1524 1.7788 1.6057 0.0210 -0.3570 -0.1580 39 ARG x CB ? ? 1 +48551 C CG . ARG AK 38 1.0969 1.7250 1.5627 0.0136 -0.3439 -0.1534 39 ARG x CG ? ? 1 +48552 C CD . ARG AK 38 1.0440 1.6891 1.5317 0.0131 -0.3418 -0.1513 39 ARG x CD ? ? 1 +48553 N NE . ARG AK 38 1.0051 1.6507 1.5030 0.0068 -0.3292 -0.1464 39 ARG x NE ? ? 1 +48554 C CZ . ARG AK 38 0.9688 1.6232 1.4845 -0.0029 -0.3258 -0.1498 39 ARG x CZ ? ? 1 +48555 N NH1 . ARG AK 38 0.9899 1.6524 1.5149 -0.0083 -0.3332 -0.1582 39 ARG x NH1 ? ? 1 +48556 N NH2 . ARG AK 38 0.9389 1.5936 1.4630 -0.0074 -0.3145 -0.1447 39 ARG x NH2 ? ? 1 +48557 C C . ARG AK 38 1.2889 1.8959 1.7051 0.0316 -0.3727 -0.1635 39 ARG x C ? ? 1 +48558 O O . ARG AK 38 1.3022 1.9084 1.7122 0.0400 -0.3740 -0.1588 39 ARG x O ? ? 1 +48559 O OXT . ARG AK 38 1.3127 1.9190 1.7242 0.0306 -0.3820 -0.1708 39 ARG x OXT ? ? 1 +48560 N N . VAL AL 1 1.2510 1.2484 1.3255 0.0469 -0.0076 -0.1021 18 VAL y N ? ? 1 +48561 C CA . VAL AL 1 1.2360 1.2518 1.3268 0.0390 -0.0115 -0.1003 18 VAL y CA ? ? 1 +48562 C CB . VAL AL 1 1.2137 1.2302 1.3141 0.0312 -0.0129 -0.0988 18 VAL y CB ? ? 1 +48563 C CG1 . VAL AL 1 1.1815 1.2187 1.3003 0.0325 -0.0115 -0.0930 18 VAL y CG1 ? ? 1 +48564 C CG2 . VAL AL 1 1.2257 1.2215 1.3152 0.0324 -0.0104 -0.0998 18 VAL y CG2 ? ? 1 +48565 C C . VAL AL 1 1.2574 1.2743 1.3445 0.0328 -0.0167 -0.1046 18 VAL y C ? ? 1 +48566 O O . VAL AL 1 1.2520 1.2859 1.3492 0.0314 -0.0187 -0.1031 18 VAL y O ? ? 1 +48567 N N . ILE AL 2 1.2801 1.2787 1.3529 0.0291 -0.0191 -0.1100 19 ILE y N ? ? 1 +48568 C CA . ILE AL 2 1.2867 1.2834 1.3519 0.0260 -0.0235 -0.1146 19 ILE y CA ? ? 1 +48569 C CB . ILE AL 2 1.3029 1.2782 1.3535 0.0200 -0.0264 -0.1207 19 ILE y CB ? ? 1 +48570 C CG1 . ILE AL 2 1.2957 1.2753 1.3568 0.0078 -0.0314 -0.1221 19 ILE y CG1 ? ? 1 +48571 C CG2 . ILE AL 2 1.3146 1.2808 1.3498 0.0218 -0.0288 -0.1257 19 ILE y CG2 ? ? 1 +48572 C CD1 . ILE AL 2 1.3165 1.2766 1.3661 0.0003 -0.0344 -0.1279 19 ILE y CD1 ? ? 1 +48573 C C . ILE AL 2 1.3016 1.3006 1.3594 0.0356 -0.0205 -0.1141 19 ILE y C ? ? 1 +48574 O O . ILE AL 2 1.3013 1.3087 1.3596 0.0346 -0.0235 -0.1152 19 ILE y O ? ? 1 +48575 N N . ALA AL 3 1.3086 1.2999 1.3595 0.0450 -0.0147 -0.1124 20 ALA y N ? ? 1 +48576 C CA . ALA AL 3 1.3020 1.2958 1.3468 0.0548 -0.0108 -0.1116 20 ALA y CA ? ? 1 +48577 C CB . ALA AL 3 1.3080 1.2922 1.3462 0.0644 -0.0045 -0.1100 20 ALA y CB ? ? 1 +48578 C C . ALA AL 3 1.2795 1.2965 1.3394 0.0563 -0.0103 -0.1072 20 ALA y C ? ? 1 +48579 O O . ALA AL 3 1.2868 1.3092 1.3434 0.0580 -0.0112 -0.1081 20 ALA y O ? ? 1 +48580 N N . GLN AL 4 1.2598 1.2901 1.3359 0.0553 -0.0091 -0.1025 21 GLN y N ? ? 1 +48581 C CA . GLN AL 4 1.2408 1.2931 1.3322 0.0566 -0.0083 -0.0980 21 GLN y CA ? ? 1 +48582 C CB . GLN AL 4 1.2142 1.2773 1.3219 0.0551 -0.0070 -0.0933 21 GLN y CB ? ? 1 +48583 C CG . GLN AL 4 1.2169 1.2743 1.3226 0.0635 -0.0013 -0.0910 21 GLN y CG ? ? 1 +48584 C CD . GLN AL 4 1.1975 1.2619 1.3165 0.0615 -0.0007 -0.0871 21 GLN y CD ? ? 1 +48585 O OE1 . GLN AL 4 1.1934 1.2600 1.3194 0.0528 -0.0044 -0.0871 21 GLN y OE1 ? ? 1 +48586 N NE2 . GLN AL 4 1.1878 1.2551 1.3099 0.0698 0.0042 -0.0838 21 GLN y NE2 ? ? 1 +48587 C C . GLN AL 4 1.2358 1.2977 1.3315 0.0496 -0.0139 -0.0995 21 GLN y C ? ? 1 +48588 O O . GLN AL 4 1.2348 1.3078 1.3329 0.0528 -0.0132 -0.0980 21 GLN y O ? ? 1 +48589 N N . LEU AL 5 1.2290 1.2864 1.3254 0.0401 -0.0194 -0.1024 22 LEU y N ? ? 1 +48590 C CA . LEU AL 5 1.2137 1.2800 1.3146 0.0330 -0.0254 -0.1042 22 LEU y CA ? ? 1 +48591 C CB . LEU AL 5 1.2083 1.2728 1.3154 0.0223 -0.0305 -0.1064 22 LEU y CB ? ? 1 +48592 C CG . LEU AL 5 1.1826 1.2594 1.3073 0.0190 -0.0295 -0.1018 22 LEU y CG ? ? 1 +48593 C CD1 . LEU AL 5 1.1638 1.2446 1.2970 0.0078 -0.0353 -0.1038 22 LEU y CD1 ? ? 1 +48594 C CD2 . LEU AL 5 1.1545 1.2511 1.2923 0.0240 -0.0268 -0.0963 22 LEU y CD2 ? ? 1 +48595 C C . LEU AL 5 1.2217 1.2791 1.3072 0.0345 -0.0277 -0.1088 22 LEU y C ? ? 1 +48596 O O . LEU AL 5 1.2402 1.3073 1.3284 0.0323 -0.0313 -0.1092 22 LEU y O ? ? 1 +48597 N N . THR AL 6 1.2139 1.2523 1.2825 0.0383 -0.0258 -0.1122 23 THR y N ? ? 1 +48598 C CA . THR AL 6 1.2158 1.2448 1.2683 0.0413 -0.0268 -0.1161 23 THR y CA ? ? 1 +48599 C CB . THR AL 6 1.2300 1.2360 1.2646 0.0434 -0.0255 -0.1205 23 THR y CB ? ? 1 +48600 O OG1 . THR AL 6 1.2228 1.2204 1.2588 0.0349 -0.0291 -0.1231 23 THR y OG1 ? ? 1 +48601 C CG2 . THR AL 6 1.2511 1.2464 1.2683 0.0452 -0.0277 -0.1254 23 THR y CG2 ? ? 1 +48602 C C . THR AL 6 1.2230 1.2614 1.2752 0.0503 -0.0221 -0.1129 23 THR y C ? ? 1 +48603 O O . THR AL 6 1.2455 1.2877 1.2933 0.0507 -0.0244 -0.1141 23 THR y O ? ? 1 +48604 N N . MET AL 7 1.2142 1.2558 1.2708 0.0575 -0.0156 -0.1088 24 MET y N ? ? 1 +48605 C CA . MET AL 7 1.2056 1.2562 1.2629 0.0662 -0.0102 -0.1056 24 MET y CA ? ? 1 +48606 C CB . MET AL 7 1.2173 1.2703 1.2806 0.0733 -0.0034 -0.1017 24 MET y CB ? ? 1 +48607 C CG . MET AL 7 1.2450 1.2783 1.2942 0.0780 -0.0004 -0.1044 24 MET y CG ? ? 1 +48608 S SD . MET AL 7 1.3002 1.3196 1.3283 0.0858 0.0026 -0.1082 24 MET y SD ? ? 1 +48609 C CE . MET AL 7 1.3190 1.3264 1.3341 0.0766 -0.0058 -0.1146 24 MET y CE ? ? 1 +48610 C C . MET AL 7 1.1746 1.2451 1.2451 0.0637 -0.0122 -0.1024 24 MET y C ? ? 1 +48611 O O . MET AL 7 1.1838 1.2576 1.2488 0.0669 -0.0116 -0.1026 24 MET y O ? ? 1 +48612 N N . ILE AL 8 1.1426 1.2257 1.2299 0.0580 -0.0144 -0.0995 25 ILE y N ? ? 1 +48613 C CA . ILE AL 8 1.1202 1.2224 1.2210 0.0555 -0.0162 -0.0962 25 ILE y CA ? ? 1 +48614 C CB . ILE AL 8 1.1074 1.2225 1.2273 0.0504 -0.0173 -0.0925 25 ILE y CB ? ? 1 +48615 C CG1 . ILE AL 8 1.0957 1.2312 1.2302 0.0491 -0.0182 -0.0885 25 ILE y CG1 ? ? 1 +48616 C CG2 . ILE AL 8 1.1027 1.2113 1.2239 0.0413 -0.0229 -0.0956 25 ILE y CG2 ? ? 1 +48617 C CD1 . ILE AL 8 1.0936 1.2386 1.2302 0.0576 -0.0119 -0.0846 25 ILE y CD1 ? ? 1 +48618 C C . ILE AL 8 1.1161 1.2177 1.2111 0.0502 -0.0227 -0.0997 25 ILE y C ? ? 1 +48619 O O . ILE AL 8 1.1003 1.2129 1.1983 0.0515 -0.0231 -0.0979 25 ILE y O ? ? 1 +48620 N N . ALA AL 9 1.1244 1.2132 1.2110 0.0445 -0.0278 -0.1047 26 ALA y N ? ? 1 +48621 C CA . ALA AL 9 1.1301 1.2168 1.2099 0.0397 -0.0344 -0.1088 26 ALA y CA ? ? 1 +48622 C CB . ALA AL 9 1.1444 1.2178 1.2182 0.0323 -0.0396 -0.1141 26 ALA y CB ? ? 1 +48623 C C . ALA AL 9 1.1426 1.2225 1.2064 0.0463 -0.0326 -0.1105 26 ALA y C ? ? 1 +48624 O O . ALA AL 9 1.1154 1.2023 1.1784 0.0458 -0.0356 -0.1105 26 ALA y O ? ? 1 +48625 N N . MET AL 10 1.1761 1.2420 1.2268 0.0529 -0.0275 -0.1117 27 MET y N ? ? 1 +48626 C CA . MET AL 10 1.2103 1.2682 1.2448 0.0597 -0.0249 -0.1134 27 MET y CA ? ? 1 +48627 C CB . MET AL 10 1.2554 1.2956 1.2757 0.0659 -0.0198 -0.1156 27 MET y CB ? ? 1 +48628 C CG . MET AL 10 1.3063 1.3287 1.3161 0.0608 -0.0241 -0.1212 27 MET y CG ? ? 1 +48629 S SD . MET AL 10 1.3715 1.3842 1.3668 0.0551 -0.0325 -0.1278 27 MET y SD ? ? 1 +48630 C CE . MET AL 10 1.3885 1.3836 1.3784 0.0479 -0.0364 -0.1330 27 MET y CE ? ? 1 +48631 C C . MET AL 10 1.1914 1.2638 1.2323 0.0657 -0.0199 -0.1085 27 MET y C ? ? 1 +48632 O O . MET AL 10 1.2205 1.2941 1.2537 0.0676 -0.0208 -0.1091 27 MET y O ? ? 1 +48633 N N . ILE AL 11 1.1493 1.2322 1.2039 0.0686 -0.0147 -0.1036 28 ILE y N ? ? 1 +48634 C CA . ILE AL 11 1.1134 1.2114 1.1765 0.0736 -0.0098 -0.0986 28 ILE y CA ? ? 1 +48635 C CB . ILE AL 11 1.0947 1.2004 1.1707 0.0774 -0.0037 -0.0942 28 ILE y CB ? ? 1 +48636 C CG1 . ILE AL 11 1.1241 1.2152 1.1887 0.0842 0.0016 -0.0960 28 ILE y CG1 ? ? 1 +48637 C CG2 . ILE AL 11 1.0715 1.1943 1.1585 0.0815 0.0009 -0.0891 28 ILE y CG2 ? ? 1 +48638 C CD1 . ILE AL 11 1.1192 1.2153 1.1956 0.0872 0.0061 -0.0925 28 ILE y CD1 ? ? 1 +48639 C C . ILE AL 11 1.0852 1.1979 1.1589 0.0680 -0.0148 -0.0968 28 ILE y C ? ? 1 +48640 O O . ILE AL 11 1.0850 1.2046 1.1572 0.0710 -0.0133 -0.0950 28 ILE y O ? ? 1 +48641 N N . GLY AL 12 1.0631 1.1802 1.1472 0.0600 -0.0206 -0.0973 29 GLY y N ? ? 1 +48642 C CA . GLY AL 12 1.0363 1.1677 1.1318 0.0544 -0.0257 -0.0957 29 GLY y CA ? ? 1 +48643 C C . GLY AL 12 1.0423 1.1703 1.1266 0.0528 -0.0310 -0.0990 29 GLY y C ? ? 1 +48644 O O . GLY AL 12 1.0325 1.1724 1.1231 0.0515 -0.0332 -0.0969 29 GLY y O ? ? 1 +48645 N N . ILE AL 13 1.0593 1.1704 1.1264 0.0530 -0.0333 -0.1043 30 ILE y N ? ? 1 +48646 C CA . ILE AL 13 1.0639 1.1701 1.1192 0.0512 -0.0391 -0.1081 30 ILE y CA ? ? 1 +48647 C CB . ILE AL 13 1.0848 1.1747 1.1286 0.0466 -0.0445 -0.1146 30 ILE y CB ? ? 1 +48648 C CG1 . ILE AL 13 1.0839 1.1752 1.1255 0.0402 -0.0539 -0.1184 30 ILE y CG1 ? ? 1 +48649 C CG2 . ILE AL 13 1.1083 1.1797 1.1324 0.0530 -0.0402 -0.1176 30 ILE y CG2 ? ? 1 +48650 C CD1 . ILE AL 13 1.0990 1.1867 1.1261 0.0441 -0.0556 -0.1200 30 ILE y CD1 ? ? 1 +48651 C C . ILE AL 13 1.0595 1.1623 1.1015 0.0591 -0.0345 -0.1072 30 ILE y C ? ? 1 +48652 O O . ILE AL 13 1.0626 1.1669 1.0983 0.0589 -0.0382 -0.1082 30 ILE y O ? ? 1 +48653 N N . ALA AL 14 1.0552 1.1538 1.0933 0.0663 -0.0263 -0.1054 31 ALA y N ? ? 1 +48654 C CA . ALA AL 14 1.0582 1.1530 1.0838 0.0740 -0.0208 -0.1046 31 ALA y CA ? ? 1 +48655 C CB . ALA AL 14 1.0528 1.1461 1.0793 0.0812 -0.0116 -0.1020 31 ALA y CB ? ? 1 +48656 C C . ALA AL 14 1.0425 1.1509 1.0733 0.0748 -0.0207 -0.1009 31 ALA y C ? ? 1 +48657 O O . ALA AL 14 1.0538 1.1570 1.0708 0.0778 -0.0210 -0.1022 31 ALA y O ? ? 1 +48658 N N . GLY AL 15 1.0143 1.1394 1.0644 0.0722 -0.0204 -0.0963 32 GLY y N ? ? 1 +48659 C CA . GLY AL 15 0.9977 1.1363 1.0544 0.0726 -0.0201 -0.0925 32 GLY y CA ? ? 1 +48660 C C . GLY AL 15 1.0051 1.1426 1.0550 0.0685 -0.0283 -0.0951 32 GLY y C ? ? 1 +48661 O O . GLY AL 15 1.0145 1.1488 1.0523 0.0723 -0.0274 -0.0952 32 GLY y O ? ? 1 +48662 N N . PRO AL 16 1.0043 1.1445 1.0616 0.0609 -0.0364 -0.0974 33 PRO y N ? ? 1 +48663 C CA . PRO AL 16 1.0172 1.1563 1.0685 0.0570 -0.0450 -0.1006 33 PRO y CA ? ? 1 +48664 C CB . PRO AL 16 1.0058 1.1485 1.0691 0.0486 -0.0519 -0.1029 33 PRO y CB ? ? 1 +48665 C CG . PRO AL 16 0.9847 1.1365 1.0647 0.0482 -0.0467 -0.0987 33 PRO y CG ? ? 1 +48666 C CD . PRO AL 16 0.9911 1.1361 1.0637 0.0558 -0.0377 -0.0970 33 PRO y CD ? ? 1 +48667 C C . PRO AL 16 1.0568 1.1790 1.0854 0.0597 -0.0471 -0.1056 33 PRO y C ? ? 1 +48668 O O . PRO AL 16 1.0687 1.1900 1.0884 0.0601 -0.0513 -0.1068 33 PRO y O ? ? 1 +48669 N N . MET AL 17 1.0835 1.1918 1.1023 0.0617 -0.0441 -0.1086 34 MET y N ? ? 1 +48670 C CA . MET AL 17 1.1205 1.2114 1.1173 0.0646 -0.0454 -0.1136 34 MET y CA ? ? 1 +48671 C CB . MET AL 17 1.1671 1.2444 1.1572 0.0665 -0.0414 -0.1162 34 MET y CB ? ? 1 +48672 C CG . MET AL 17 1.2302 1.2881 1.1978 0.0685 -0.0434 -0.1221 34 MET y CG ? ? 1 +48673 S SD . MET AL 17 1.3132 1.3616 1.2786 0.0595 -0.0535 -0.1289 34 MET y SD ? ? 1 +48674 C CE . MET AL 17 1.3093 1.3437 1.2706 0.0618 -0.0473 -0.1304 34 MET y CE ? ? 1 +48675 C C . MET AL 17 1.1109 1.2002 1.0954 0.0719 -0.0404 -0.1115 34 MET y C ? ? 1 +48676 O O . MET AL 17 1.1276 1.2082 1.0960 0.0729 -0.0444 -0.1148 34 MET y O ? ? 1 +48677 N N . ILE AL 18 1.0866 1.1842 1.0786 0.0768 -0.0317 -0.1062 35 ILE y N ? ? 1 +48678 C CA . ILE AL 18 1.0806 1.1777 1.0626 0.0835 -0.0258 -0.1037 35 ILE y CA ? ? 1 +48679 C CB . ILE AL 18 1.0624 1.1689 1.0550 0.0886 -0.0155 -0.0982 35 ILE y CB ? ? 1 +48680 C CG1 . ILE AL 18 1.0657 1.1640 1.0567 0.0918 -0.0100 -0.0995 35 ILE y CG1 ? ? 1 +48681 C CG2 . ILE AL 18 1.0669 1.1740 1.0500 0.0948 -0.0093 -0.0954 35 ILE y CG2 ? ? 1 +48682 C CD1 . ILE AL 18 1.0534 1.1628 1.0587 0.0955 -0.0014 -0.0944 35 ILE y CD1 ? ? 1 +48683 C C . ILE AL 18 1.0676 1.1721 1.0496 0.0813 -0.0315 -0.1026 35 ILE y C ? ? 1 +48684 O O . ILE AL 18 1.0882 1.1844 1.0533 0.0842 -0.0326 -0.1044 35 ILE y O ? ? 1 +48685 N N . ILE AL 19 1.0365 1.1562 1.0371 0.0762 -0.0351 -0.0998 36 ILE y N ? ? 1 +48686 C CA . ILE AL 19 1.0296 1.1573 1.0319 0.0741 -0.0405 -0.0984 36 ILE y CA ? ? 1 +48687 C CB . ILE AL 19 0.9996 1.1452 1.0252 0.0689 -0.0428 -0.0947 36 ILE y CB ? ? 1 +48688 C CG1 . ILE AL 19 0.9792 1.1353 1.0183 0.0720 -0.0334 -0.0889 36 ILE y CG1 ? ? 1 +48689 C CG2 . ILE AL 19 0.9966 1.1499 1.0237 0.0666 -0.0493 -0.0938 36 ILE y CG2 ? ? 1 +48690 C CD1 . ILE AL 19 0.9851 1.1400 1.0150 0.0791 -0.0252 -0.0857 36 ILE y CD1 ? ? 1 +48691 C C . ILE AL 19 1.0497 1.1673 1.0381 0.0712 -0.0501 -0.1042 36 ILE y C ? ? 1 +48692 O O . ILE AL 19 1.0603 1.1760 1.0380 0.0732 -0.0527 -0.1044 36 ILE y O ? ? 1 +48693 N N . PHE AL 20 1.0567 1.1675 1.0452 0.0667 -0.0552 -0.1090 37 PHE y N ? ? 1 +48694 C CA . PHE AL 20 1.0716 1.1731 1.0486 0.0631 -0.0647 -0.1151 37 PHE y CA ? ? 1 +48695 C CB . PHE AL 20 1.0769 1.1746 1.0603 0.0568 -0.0690 -0.1193 37 PHE y CB ? ? 1 +48696 C CG . PHE AL 20 1.0953 1.1840 1.0688 0.0522 -0.0791 -0.1261 37 PHE y CG ? ? 1 +48697 C CD1 . PHE AL 20 1.0922 1.1902 1.0728 0.0472 -0.0881 -0.1273 37 PHE y CD1 ? ? 1 +48698 C CD2 . PHE AL 20 1.1170 1.1881 1.0740 0.0531 -0.0797 -0.1315 37 PHE y CD2 ? ? 1 +48699 C CE1 . PHE AL 20 1.1106 1.2010 1.0828 0.0428 -0.0976 -0.1339 37 PHE y CE1 ? ? 1 +48700 C CE2 . PHE AL 20 1.1333 1.1962 1.0815 0.0485 -0.0892 -0.1381 37 PHE y CE2 ? ? 1 +48701 C CZ . PHE AL 20 1.1294 1.2023 1.0853 0.0435 -0.0982 -0.1393 37 PHE y CZ ? ? 1 +48702 C C . PHE AL 20 1.0907 1.1756 1.0429 0.0688 -0.0635 -0.1184 37 PHE y C ? ? 1 +48703 O O . PHE AL 20 1.1035 1.1842 1.0441 0.0686 -0.0700 -0.1211 37 PHE y O ? ? 1 +48704 N N . LEU AL 21 1.0943 1.1697 1.0383 0.0739 -0.0552 -0.1182 38 LEU y N ? ? 1 +48705 C CA . LEU AL 21 1.1142 1.1735 1.0345 0.0799 -0.0526 -0.1210 38 LEU y CA ? ? 1 +48706 C CB . LEU AL 21 1.1177 1.1684 1.0331 0.0852 -0.0430 -0.1205 38 LEU y CB ? ? 1 +48707 C CG . LEU AL 21 1.1234 1.1646 1.0390 0.0820 -0.0446 -0.1248 38 LEU y CG ? ? 1 +48708 C CD1 . LEU AL 21 1.1342 1.1649 1.0408 0.0887 -0.0353 -0.1247 38 LEU y CD1 ? ? 1 +48709 C CD2 . LEU AL 21 1.1390 1.1680 1.0416 0.0778 -0.0543 -0.1317 38 LEU y CD2 ? ? 1 +48710 C C . LEU AL 21 1.1153 1.1773 1.0272 0.0847 -0.0504 -0.1177 38 LEU y C ? ? 1 +48711 O O . LEU AL 21 1.1382 1.1893 1.0311 0.0870 -0.0537 -0.1209 38 LEU y O ? ? 1 +48712 N N . LEU AL 22 1.0942 1.1706 1.0202 0.0861 -0.0447 -0.1115 39 LEU y N ? ? 1 +48713 C CA . LEU AL 22 1.0941 1.1736 1.0133 0.0904 -0.0417 -0.1078 39 LEU y CA ? ? 1 +48714 C CB . LEU AL 22 1.0729 1.1665 1.0080 0.0927 -0.0326 -0.1009 39 LEU y CB ? ? 1 +48715 C CG . LEU AL 22 1.0764 1.1650 1.0069 0.0990 -0.0211 -0.0993 39 LEU y CG ? ? 1 +48716 C CD1 . LEU AL 22 1.0549 1.1589 1.0047 0.0997 -0.0136 -0.0932 39 LEU y CD1 ? ? 1 +48717 C CD2 . LEU AL 22 1.0990 1.1761 1.0076 0.1056 -0.0164 -0.0997 39 LEU y CD2 ? ? 1 +48718 C C . LEU AL 22 1.0928 1.1770 1.0118 0.0867 -0.0517 -0.1088 39 LEU y C ? ? 1 +48719 O O . LEU AL 22 1.1038 1.1826 1.0077 0.0902 -0.0525 -0.1087 39 LEU y O ? ? 1 +48720 N N . ALA AL 23 1.0837 1.1779 1.0193 0.0798 -0.0590 -0.1096 40 ALA y N ? ? 1 +48721 C CA . ALA AL 23 1.0858 1.1853 1.0229 0.0759 -0.0692 -0.1110 40 ALA y CA ? ? 1 +48722 C CB . ALA AL 23 1.0630 1.1754 1.0221 0.0684 -0.0749 -0.1111 40 ALA y CB ? ? 1 +48723 C C . ALA AL 23 1.1188 1.2035 1.0354 0.0760 -0.0770 -0.1175 40 ALA y C ? ? 1 +48724 O O . ALA AL 23 1.1261 1.2094 1.0325 0.0776 -0.0818 -0.1179 40 ALA y O ? ? 1 +48725 N N . VAL AL 24 1.1407 1.2140 1.0509 0.0745 -0.0783 -0.1226 41 VAL y N ? ? 1 +48726 C CA . VAL AL 24 1.1761 1.2346 1.0670 0.0742 -0.0857 -0.1293 41 VAL y CA ? ? 1 +48727 C CB . VAL AL 24 1.1911 1.2392 1.0801 0.0709 -0.0869 -0.1346 41 VAL y CB ? ? 1 +48728 C CG1 . VAL AL 24 1.2200 1.2525 1.0885 0.0706 -0.0947 -0.1418 41 VAL y CG1 ? ? 1 +48729 C CG2 . VAL AL 24 1.1721 1.2317 1.0836 0.0631 -0.0908 -0.1349 41 VAL y CG2 ? ? 1 +48730 C C . VAL AL 24 1.2048 1.2503 1.0717 0.0818 -0.0816 -0.1293 41 VAL y C ? ? 1 +48731 O O . VAL AL 24 1.2197 1.2594 1.0726 0.0826 -0.0886 -0.1322 41 VAL y O ? ? 1 +48732 N N . ARG AL 25 1.2157 1.2566 1.0776 0.0876 -0.0703 -0.1263 42 ARG y N ? ? 1 +48733 C CA . ARG AL 25 1.2431 1.2716 1.0823 0.0949 -0.0654 -0.1261 42 ARG y CA ? ? 1 +48734 C CB . ARG AL 25 1.2638 1.2803 1.0935 0.0995 -0.0562 -0.1271 42 ARG y CB ? ? 1 +48735 C CG . ARG AL 25 1.2598 1.2857 1.1042 0.1019 -0.0450 -0.1215 42 ARG y CG ? ? 1 +48736 C CD . ARG AL 25 1.2833 1.2980 1.1218 0.1048 -0.0387 -0.1240 42 ARG y CD ? ? 1 +48737 N NE . ARG AL 25 1.3155 1.3129 1.1288 0.1111 -0.0351 -0.1267 42 ARG y NE ? ? 1 +48738 C CZ . ARG AL 25 1.3325 1.3159 1.1345 0.1138 -0.0319 -0.1305 42 ARG y CZ ? ? 1 +48739 N NH1 . ARG AL 25 1.3200 1.3044 1.1336 0.1113 -0.0306 -0.1315 42 ARG y NH1 ? ? 1 +48740 N NH2 . ARG AL 25 1.3605 1.3279 1.1384 0.1191 -0.0300 -0.1335 42 ARG y NH2 ? ? 1 +48741 C C . ARG AL 25 1.2387 1.2762 1.0798 0.0987 -0.0604 -0.1198 42 ARG y C ? ? 1 +48742 O O . ARG AL 25 1.2502 1.2805 1.0774 0.1051 -0.0523 -0.1178 42 ARG y O ? ? 1 +48743 N N . ARG AL 26 1.2326 1.2854 1.0903 0.0946 -0.0652 -0.1169 43 ARG y N ? ? 1 +48744 C CA . ARG AL 26 1.2311 1.2927 1.0912 0.0972 -0.0621 -0.1112 43 ARG y CA ? ? 1 +48745 C CB . ARG AL 26 1.2646 1.3179 1.1053 0.0993 -0.0692 -0.1134 43 ARG y CB ? ? 1 +48746 C CG . ARG AL 26 1.2810 1.3392 1.1281 0.0934 -0.0825 -0.1173 43 ARG y CG ? ? 1 +48747 C CD . ARG AL 26 1.3201 1.3719 1.1498 0.0957 -0.0900 -0.1190 43 ARG y CD ? ? 1 +48748 N NE . ARG AL 26 1.3381 1.3956 1.1755 0.0898 -0.1030 -0.1232 43 ARG y NE ? ? 1 +48749 C CZ . ARG AL 26 1.3652 1.4128 1.1917 0.0877 -0.1120 -0.1303 43 ARG y CZ ? ? 1 +48750 N NH1 . ARG AL 26 1.3887 1.4201 1.1975 0.0904 -0.1096 -0.1342 43 ARG y NH1 ? ? 1 +48751 N NH2 . ARG AL 26 1.3662 1.4207 1.2003 0.0827 -0.1238 -0.1336 43 ARG y NH2 ? ? 1 +48752 C C . ARG AL 26 1.2221 1.2838 1.0804 0.1031 -0.0487 -0.1060 43 ARG y C ? ? 1 +48753 O O . ARG AL 26 1.2337 1.2887 1.0761 0.1084 -0.0445 -0.1043 43 ARG y O ? ? 1 +48754 N N . GLY AL 27 1.2008 1.2703 1.0758 0.1021 -0.0421 -0.1037 44 GLY y N ? ? 1 +48755 C CA . GLY AL 27 1.1930 1.2643 1.0695 0.1072 -0.0294 -0.0991 44 GLY y CA ? ? 1 +48756 C C . GLY AL 27 1.1690 1.2555 1.0595 0.1072 -0.0253 -0.0925 44 GLY y C ? ? 1 +48757 O O . GLY AL 27 1.1545 1.2489 1.0514 0.1037 -0.0323 -0.0914 44 GLY y O ? ? 1 +48758 N N . ASN AL 28 1.1654 1.2561 1.0610 0.1109 -0.0139 -0.0883 45 ASN y N ? ? 1 +48759 C CA . ASN AL 28 1.1510 1.2544 1.0575 0.1116 -0.0084 -0.0820 45 ASN y CA ? ? 1 +48760 C CB . ASN AL 28 1.1754 1.2743 1.0726 0.1181 0.0041 -0.0792 45 ASN y CB ? ? 1 +48761 C CG . ASN AL 28 1.1937 1.2989 1.0910 0.1196 0.0081 -0.0740 45 ASN y CG ? ? 1 +48762 O OD1 . ASN AL 28 1.1963 1.3155 1.1115 0.1182 0.0126 -0.0693 45 ASN y OD1 ? ? 1 +48763 N ND2 . ASN AL 28 1.2268 1.3212 1.1034 0.1225 0.0064 -0.0747 45 ASN y ND2 ? ? 1 +48764 C C . ASN AL 28 1.1055 1.2261 1.0390 0.1069 -0.0086 -0.0789 45 ASN y C ? ? 1 +48765 O O . ASN AL 28 1.0994 1.2282 1.0446 0.1085 0.0003 -0.0751 45 ASN y O ? ? 1 +48766 N N . LEU AL 29 1.0750 1.2011 1.0181 0.1010 -0.0189 -0.0808 46 LEU y N ? ? 1 +48767 C CA . LEU AL 29 1.0362 1.1781 1.0039 0.0960 -0.0204 -0.0783 46 LEU y CA ? ? 1 +48768 C CB . LEU AL 29 1.0291 1.1722 1.0020 0.0898 -0.0324 -0.0824 46 LEU y CB ? ? 1 +48769 C CG . LEU AL 29 1.0372 1.1702 1.0054 0.0881 -0.0357 -0.0881 46 LEU y CG ? ? 1 +48770 C CD1 . LEU AL 29 1.0338 1.1691 1.0077 0.0815 -0.0475 -0.0920 46 LEU y CD1 ? ? 1 +48771 C CD2 . LEU AL 29 1.0251 1.1621 1.0063 0.0882 -0.0288 -0.0867 46 LEU y CD2 ? ? 1 +48772 C C . LEU AL 29 1.0160 1.1709 0.9944 0.0958 -0.0177 -0.0724 46 LEU y C ? ? 1 +48773 O O . LEU AL 29 0.9879 1.1561 0.9859 0.0938 -0.0143 -0.0688 46 LEU y O ? ? 1 +48774 O OXT . LEU AL 29 1.0201 1.1718 0.9871 0.0976 -0.0193 -0.0714 46 LEU y OXT ? ? 1 +48775 N N . MET AM 1 1.6177 1.3986 1.4458 0.2431 0.0824 -0.1370 1 MET z N ? ? 1 +48776 C CA . MET AM 1 1.6018 1.4085 1.4459 0.2469 0.0864 -0.1338 1 MET z CA ? ? 1 +48777 C CB . MET AM 1 1.6075 1.4220 1.4595 0.2600 0.0926 -0.1315 1 MET z CB ? ? 1 +48778 C CG . MET AM 1 1.6004 1.4427 1.4713 0.2642 0.0971 -0.1279 1 MET z CG ? ? 1 +48779 S SD . MET AM 1 1.6337 1.4845 1.5008 0.2615 0.0996 -0.1296 1 MET z SD ? ? 1 +48780 C CE . MET AM 1 1.6350 1.4702 1.4831 0.2745 0.1067 -0.1339 1 MET z CE ? ? 1 +48781 C C . MET AM 1 1.5602 1.3877 1.4238 0.2365 0.0820 -0.1297 1 MET z C ? ? 1 +48782 O O . MET AM 1 1.5162 1.3588 1.3864 0.2334 0.0826 -0.1288 1 MET z O ? ? 1 +48783 N N . THR AM 2 1.5532 1.3804 1.4248 0.2310 0.0778 -0.1274 2 THR z N ? ? 1 +48784 C CA . THR AM 2 1.5377 1.3817 1.4260 0.2203 0.0730 -0.1240 2 THR z CA ? ? 1 +48785 C CB . THR AM 2 1.5212 1.3604 1.4152 0.2158 0.0690 -0.1219 2 THR z CB ? ? 1 +48786 O OG1 . THR AM 2 1.5092 1.3519 1.4093 0.2261 0.0730 -0.1195 2 THR z OG1 ? ? 1 +48787 C CG2 . THR AM 2 1.4961 1.3534 1.4080 0.2050 0.0644 -0.1183 2 THR z CG2 ? ? 1 +48788 C C . THR AM 2 1.5574 1.3984 1.4391 0.2098 0.0685 -0.1266 2 THR z C ? ? 1 +48789 O O . THR AM 2 1.5542 1.4137 1.4489 0.2037 0.0666 -0.1242 2 THR z O ? ? 1 +48790 N N . ILE AM 3 1.5916 1.4090 1.4528 0.2079 0.0666 -0.1316 3 ILE z N ? ? 1 +48791 C CA . ILE AM 3 1.5941 1.4058 1.4459 0.1993 0.0624 -0.1351 3 ILE z CA ? ? 1 +48792 C CB . ILE AM 3 1.6323 1.4144 1.4603 0.1984 0.0605 -0.1409 3 ILE z CB ? ? 1 +48793 C CG1 . ILE AM 3 1.6472 1.4227 1.4629 0.1919 0.0570 -0.1453 3 ILE z CG1 ? ? 1 +48794 C CG2 . ILE AM 3 1.6501 1.4176 1.4647 0.2114 0.0667 -0.1428 3 ILE z CG2 ? ? 1 +48795 C CD1 . ILE AM 3 1.6526 1.4334 1.4616 0.1995 0.0620 -0.1465 3 ILE z CD1 ? ? 1 +48796 C C . ILE AM 3 1.5741 1.3989 1.4270 0.2027 0.0658 -0.1350 3 ILE z C ? ? 1 +48797 O O . ILE AM 3 1.5469 1.3840 1.4069 0.1951 0.0625 -0.1341 3 ILE z O ? ? 1 +48798 N N . LEU AM 4 1.5762 1.3979 1.4217 0.2143 0.0725 -0.1360 4 LEU z N ? ? 1 +48799 C CA . LEU AM 4 1.5572 1.3880 1.4006 0.2184 0.0767 -0.1364 4 LEU z CA ? ? 1 +48800 C CB . LEU AM 4 1.5623 1.3852 1.3954 0.2319 0.0844 -0.1382 4 LEU z CB ? ? 1 +48801 C CG . LEU AM 4 1.5596 1.3880 1.3867 0.2371 0.0897 -0.1394 4 LEU z CG ? ? 1 +48802 C CD1 . LEU AM 4 1.5727 1.3847 1.3801 0.2317 0.0861 -0.1442 4 LEU z CD1 ? ? 1 +48803 C CD2 . LEU AM 4 1.5609 1.3859 1.3828 0.2508 0.0979 -0.1402 4 LEU z CD2 ? ? 1 +48804 C C . LEU AM 4 1.5226 1.3817 1.3884 0.2165 0.0777 -0.1312 4 LEU z C ? ? 1 +48805 O O . LEU AM 4 1.5089 1.3775 1.3759 0.2132 0.0775 -0.1310 4 LEU z O ? ? 1 +48806 N N . PHE AM 5 1.4950 1.3666 1.3778 0.2184 0.0786 -0.1271 5 PHE z N ? ? 1 +48807 C CA . PHE AM 5 1.4491 1.3469 1.3540 0.2157 0.0789 -0.1220 5 PHE z CA ? ? 1 +48808 C CB . PHE AM 5 1.4260 1.3331 1.3464 0.2195 0.0800 -0.1182 5 PHE z CB ? ? 1 +48809 C CG . PHE AM 5 1.3871 1.3210 1.3302 0.2170 0.0805 -0.1132 5 PHE z CG ? ? 1 +48810 C CD1 . PHE AM 5 1.3731 1.3236 1.3246 0.2238 0.0867 -0.1114 5 PHE z CD1 ? ? 1 +48811 C CD2 . PHE AM 5 1.3594 1.3018 1.3155 0.2078 0.0748 -0.1104 5 PHE z CD2 ? ? 1 +48812 C CE1 . PHE AM 5 1.3384 1.3130 1.3106 0.2213 0.0871 -0.1068 5 PHE z CE1 ? ? 1 +48813 C CE2 . PHE AM 5 1.3286 1.2952 1.3052 0.2057 0.0753 -0.1058 5 PHE z CE2 ? ? 1 +48814 C CZ . PHE AM 5 1.3184 1.3008 1.3029 0.2124 0.0813 -0.1041 5 PHE z CZ ? ? 1 +48815 C C . PHE AM 5 1.4377 1.3414 1.3482 0.2028 0.0718 -0.1213 5 PHE z C ? ? 1 +48816 O O . PHE AM 5 1.4323 1.3496 1.3485 0.1997 0.0719 -0.1201 5 PHE z O ? ? 1 +48817 N N . GLN AM 6 1.4405 1.3331 1.3488 0.1954 0.0658 -0.1223 6 GLN z N ? ? 1 +48818 C CA . GLN AM 6 1.4215 1.3188 1.3357 0.1829 0.0587 -0.1219 6 GLN z CA ? ? 1 +48819 C CB . GLN AM 6 1.4288 1.3116 1.3397 0.1767 0.0537 -0.1231 6 GLN z CB ? ? 1 +48820 C CG . GLN AM 6 1.4133 1.3040 1.3387 0.1787 0.0546 -0.1189 6 GLN z CG ? ? 1 +48821 C CD . GLN AM 6 1.4225 1.2957 1.3416 0.1737 0.0506 -0.1204 6 GLN z CD ? ? 1 +48822 O OE1 . GLN AM 6 1.4483 1.3012 1.3506 0.1702 0.0480 -0.1250 6 GLN z OE1 ? ? 1 +48823 N NE2 . GLN AM 6 1.4090 1.2890 1.3408 0.1733 0.0502 -0.1167 6 GLN z NE2 ? ? 1 +48824 C C . GLN AM 6 1.4265 1.3182 1.3286 0.1778 0.0558 -0.1254 6 GLN z C ? ? 1 +48825 O O . GLN AM 6 1.4200 1.3227 1.3303 0.1693 0.0513 -0.1243 6 GLN z O ? ? 1 +48826 N N . LEU AM 7 1.4386 1.3127 1.3209 0.1831 0.0582 -0.1298 7 LEU z N ? ? 1 +48827 C CA . LEU AM 7 1.4399 1.3084 1.3092 0.1801 0.0563 -0.1333 7 LEU z CA ? ? 1 +48828 C CB . LEU AM 7 1.4803 1.3245 1.3260 0.1861 0.0586 -0.1387 7 LEU z CB ? ? 1 +48829 C CG . LEU AM 7 1.5033 1.3246 1.3344 0.1796 0.0526 -0.1434 7 LEU z CG ? ? 1 +48830 C CD1 . LEU AM 7 1.5112 1.3269 1.3318 0.1718 0.0470 -0.1472 7 LEU z CD1 ? ? 1 +48831 C CD2 . LEU AM 7 1.4925 1.3157 1.3357 0.1722 0.0481 -0.1413 7 LEU z CD2 ? ? 1 +48832 C C . LEU AM 7 1.4068 1.2943 1.2841 0.1832 0.0603 -0.1305 7 LEU z C ? ? 1 +48833 O O . LEU AM 7 1.3988 1.2953 1.2801 0.1762 0.0563 -0.1300 7 LEU z O ? ? 1 +48834 N N . ALA AM 8 1.3846 1.2781 1.2644 0.1938 0.0681 -0.1288 8 ALA z N ? ? 1 +48835 C CA . ALA AM 8 1.3560 1.2675 1.2438 0.1975 0.0731 -0.1260 8 ALA z CA ? ? 1 +48836 C CB . ALA AM 8 1.3527 1.2693 1.2441 0.2094 0.0818 -0.1245 8 ALA z CB ? ? 1 +48837 C C . ALA AM 8 1.3207 1.2544 1.2294 0.1902 0.0699 -0.1213 8 ALA z C ? ? 1 +48838 O O . ALA AM 8 1.3131 1.2578 1.2247 0.1877 0.0700 -0.1201 8 ALA z O ? ? 1 +48839 N N . LEU AM 9 1.2945 1.2342 1.2173 0.1871 0.0673 -0.1186 9 LEU z N ? ? 1 +48840 C CA . LEU AM 9 1.2578 1.2181 1.2009 0.1806 0.0645 -0.1142 9 LEU z CA ? ? 1 +48841 C CB . LEU AM 9 1.2451 1.2109 1.2024 0.1809 0.0640 -0.1111 9 LEU z CB ? ? 1 +48842 C CG . LEU AM 9 1.2196 1.2085 1.1996 0.1760 0.0624 -0.1060 9 LEU z CG ? ? 1 +48843 C CD1 . LEU AM 9 1.2083 1.2159 1.1977 0.1802 0.0678 -0.1031 9 LEU z CD1 ? ? 1 +48844 C CD2 . LEU AM 9 1.2088 1.2021 1.2011 0.1782 0.0629 -0.1032 9 LEU z CD2 ? ? 1 +48845 C C . LEU AM 9 1.2470 1.2056 1.1882 0.1691 0.0565 -0.1155 9 LEU z C ? ? 1 +48846 O O . LEU AM 9 1.2331 1.2076 1.1852 0.1645 0.0548 -0.1128 9 LEU z O ? ? 1 +48847 N N . ALA AM 10 1.2509 1.1902 1.1785 0.1647 0.0515 -0.1197 10 ALA z N ? ? 1 +48848 C CA . ALA AM 10 1.2406 1.1769 1.1649 0.1542 0.0438 -0.1219 10 ALA z CA ? ? 1 +48849 C CB . ALA AM 10 1.2590 1.1740 1.1706 0.1496 0.0390 -0.1263 10 ALA z CB ? ? 1 +48850 C C . ALA AM 10 1.2364 1.1722 1.1497 0.1548 0.0442 -0.1239 10 ALA z C ? ? 1 +48851 O O . ALA AM 10 1.2234 1.1680 1.1415 0.1478 0.0394 -0.1233 10 ALA z O ? ? 1 +48852 N N . ALA AM 11 1.2400 1.1657 1.1387 0.1636 0.0499 -0.1261 11 ALA z N ? ? 1 +48853 C CA . ALA AM 11 1.2408 1.1656 1.1282 0.1655 0.0513 -0.1277 11 ALA z CA ? ? 1 +48854 C CB . ALA AM 11 1.2628 1.1740 1.1337 0.1758 0.0582 -0.1305 11 ALA z CB ? ? 1 +48855 C C . ALA AM 11 1.2116 1.1592 1.1143 0.1654 0.0539 -0.1229 11 ALA z C ? ? 1 +48856 O O . ALA AM 11 1.2099 1.1614 1.1097 0.1612 0.0508 -0.1232 11 ALA z O ? ? 1 +48857 N N . LEU AM 12 1.1887 1.1510 1.1076 0.1701 0.0592 -0.1185 12 LEU z N ? ? 1 +48858 C CA . LEU AM 12 1.1638 1.1483 1.0990 0.1700 0.0619 -0.1136 12 LEU z CA ? ? 1 +48859 C CB . LEU AM 12 1.1505 1.1476 1.1012 0.1767 0.0684 -0.1098 12 LEU z CB ? ? 1 +48860 C CG . LEU AM 12 1.1259 1.1467 1.0953 0.1767 0.0717 -0.1046 12 LEU z CG ? ? 1 +48861 C CD1 . LEU AM 12 1.1326 1.1568 1.0948 0.1813 0.0774 -0.1046 12 LEU z CD1 ? ? 1 +48862 C CD2 . LEU AM 12 1.1126 1.1449 1.0982 0.1819 0.0761 -0.1013 12 LEU z CD2 ? ? 1 +48863 C C . LEU AM 12 1.1412 1.1369 1.0887 0.1596 0.0545 -0.1116 12 LEU z C ? ? 1 +48864 O O . LEU AM 12 1.1345 1.1405 1.0851 0.1569 0.0538 -0.1100 12 LEU z O ? ? 1 +48865 N N . VAL AM 13 1.1337 1.1267 1.0877 0.1538 0.0492 -0.1117 13 VAL z N ? ? 1 +48866 C CA . VAL AM 13 1.1171 1.1199 1.0828 0.1438 0.0420 -0.1102 13 VAL z CA ? ? 1 +48867 C CB . VAL AM 13 1.1084 1.1070 1.0811 0.1389 0.0378 -0.1103 13 VAL z CB ? ? 1 +48868 C CG1 . VAL AM 13 1.0926 1.0985 1.0748 0.1280 0.0300 -0.1097 13 VAL z CG1 ? ? 1 +48869 C CG2 . VAL AM 13 1.0956 1.1044 1.0829 0.1440 0.0428 -0.1062 13 VAL z CG2 ? ? 1 +48870 C C . VAL AM 13 1.1310 1.1268 1.0846 0.1378 0.0361 -0.1136 13 VAL z C ? ? 1 +48871 O O . VAL AM 13 1.1170 1.1257 1.0789 0.1329 0.0330 -0.1115 13 VAL z O ? ? 1 +48872 N N . ILE AM 14 1.1636 1.1390 1.0975 0.1385 0.0343 -0.1189 14 ILE z N ? ? 1 +48873 C CA . ILE AM 14 1.1787 1.1461 1.0998 0.1332 0.0283 -0.1227 14 ILE z CA ? ? 1 +48874 C CB . ILE AM 14 1.2106 1.1537 1.1105 0.1323 0.0249 -0.1291 14 ILE z CB ? ? 1 +48875 C CG1 . ILE AM 14 1.2260 1.1542 1.1177 0.1390 0.0297 -0.1309 14 ILE z CG1 ? ? 1 +48876 C CG2 . ILE AM 14 1.2071 1.1469 1.1095 0.1212 0.0153 -0.1317 14 ILE z CG2 ? ? 1 +48877 C CD1 . ILE AM 14 1.2243 1.1457 1.1218 0.1334 0.0257 -0.1317 14 ILE z CD1 ? ? 1 +48878 C C . ILE AM 14 1.1799 1.1543 1.0963 0.1372 0.0317 -0.1214 14 ILE z C ? ? 1 +48879 O O . ILE AM 14 1.1661 1.1488 1.0860 0.1318 0.0272 -0.1207 14 ILE z O ? ? 1 +48880 N N . LEU AM 15 1.1923 1.1634 1.1011 0.1466 0.0399 -0.1212 15 LEU z N ? ? 1 +48881 C CA . LEU AM 15 1.1972 1.1744 1.1012 0.1509 0.0444 -0.1198 15 LEU z CA ? ? 1 +48882 C CB . LEU AM 15 1.2065 1.1798 1.1039 0.1617 0.0543 -0.1196 15 LEU z CB ? ? 1 +48883 C CG . LEU AM 15 1.2068 1.1876 1.1006 0.1668 0.0606 -0.1177 15 LEU z CG ? ? 1 +48884 C CD1 . LEU AM 15 1.2244 1.1929 1.0983 0.1652 0.0571 -0.1214 15 LEU z CD1 ? ? 1 +48885 C CD2 . LEU AM 15 1.2138 1.1933 1.1048 0.1771 0.0706 -0.1172 15 LEU z CD2 ? ? 1 +48886 C C . LEU AM 15 1.1830 1.1824 1.1059 0.1477 0.0444 -0.1144 15 LEU z C ? ? 1 +48887 O O . LEU AM 15 1.1882 1.1921 1.1077 0.1457 0.0428 -0.1139 15 LEU z O ? ? 1 +48888 N N . SER AM 16 1.1695 1.1823 1.1118 0.1474 0.0463 -0.1105 16 SER z N ? ? 1 +48889 C CA . SER AM 16 1.1461 1.1800 1.1073 0.1444 0.0464 -0.1053 16 SER z CA ? ? 1 +48890 C CB . SER AM 16 1.1282 1.1740 1.1087 0.1452 0.0489 -0.1017 16 SER z CB ? ? 1 +48891 O OG . SER AM 16 1.1405 1.1852 1.1199 0.1545 0.0573 -0.1011 16 SER z OG ? ? 1 +48892 C C . SER AM 16 1.1398 1.1773 1.1039 0.1349 0.0374 -0.1057 16 SER z C ? ? 1 +48893 O O . SER AM 16 1.1374 1.1853 1.1050 0.1332 0.0370 -0.1035 16 SER z O ? ? 1 +48894 N N . PHE AM 17 1.1395 1.1681 1.1019 0.1287 0.0303 -0.1087 17 PHE z N ? ? 1 +48895 C CA . PHE AM 17 1.1328 1.1647 1.0988 0.1195 0.0215 -0.1096 17 PHE z CA ? ? 1 +48896 C CB . PHE AM 17 1.1405 1.1625 1.1066 0.1135 0.0154 -0.1127 17 PHE z CB ? ? 1 +48897 C CG . PHE AM 17 1.1396 1.1660 1.1117 0.1035 0.0063 -0.1138 17 PHE z CG ? ? 1 +48898 C CD1 . PHE AM 17 1.1586 1.1749 1.1167 0.0998 0.0000 -0.1183 17 PHE z CD1 ? ? 1 +48899 C CD2 . PHE AM 17 1.1224 1.1631 1.1142 0.0980 0.0038 -0.1103 17 PHE z CD2 ? ? 1 +48900 C CE1 . PHE AM 17 1.1511 1.1723 1.1156 0.0907 -0.0085 -0.1195 17 PHE z CE1 ? ? 1 +48901 C CE2 . PHE AM 17 1.1157 1.1610 1.1136 0.0890 -0.0044 -0.1114 17 PHE z CE2 ? ? 1 +48902 C CZ . PHE AM 17 1.1298 1.1656 1.1143 0.0854 -0.0106 -0.1161 17 PHE z CZ ? ? 1 +48903 C C . PHE AM 17 1.1436 1.1685 1.0935 0.1187 0.0183 -0.1125 17 PHE z C ? ? 1 +48904 O O . PHE AM 17 1.1380 1.1716 1.0930 0.1133 0.0131 -0.1116 17 PHE z O ? ? 1 +48905 N N . VAL AM 18 1.1617 1.1706 1.0920 0.1243 0.0213 -0.1162 18 VAL z N ? ? 1 +48906 C CA . VAL AM 18 1.1740 1.1753 1.0873 0.1249 0.0192 -0.1189 18 VAL z CA ? ? 1 +48907 C CB . VAL AM 18 1.1956 1.1753 1.0862 0.1303 0.0215 -0.1240 18 VAL z CB ? ? 1 +48908 C CG1 . VAL AM 18 1.2094 1.1825 1.0821 0.1343 0.0233 -0.1257 18 VAL z CG1 ? ? 1 +48909 C CG2 . VAL AM 18 1.2033 1.1682 1.0865 0.1244 0.0139 -0.1293 18 VAL z CG2 ? ? 1 +48910 C C . VAL AM 18 1.1686 1.1830 1.0858 0.1287 0.0245 -0.1145 18 VAL z C ? ? 1 +48911 O O . VAL AM 18 1.1659 1.1835 1.0795 0.1257 0.0204 -0.1145 18 VAL z O ? ? 1 +48912 N N . MET AM 19 1.1677 1.1895 1.0921 0.1354 0.0336 -0.1110 19 MET z N ? ? 1 +48913 C CA . MET AM 19 1.1652 1.1993 1.0939 0.1393 0.0399 -0.1068 19 MET z CA ? ? 1 +48914 C CB . MET AM 19 1.1772 1.2161 1.1121 0.1472 0.0501 -0.1043 19 MET z CB ? ? 1 +48915 C CG . MET AM 19 1.2144 1.2363 1.1301 0.1546 0.0553 -0.1081 19 MET z CG ? ? 1 +48916 S SD . MET AM 19 1.2557 1.2735 1.1541 0.1599 0.0609 -0.1083 19 MET z SD ? ? 1 +48917 C CE . MET AM 19 1.2403 1.2798 1.1580 0.1642 0.0708 -0.1019 19 MET z CE ? ? 1 +48918 C C . MET AM 19 1.1338 1.1862 1.0807 0.1332 0.0362 -0.1025 19 MET z C ? ? 1 +48919 O O . MET AM 19 1.1333 1.1928 1.0794 0.1335 0.0374 -0.1002 19 MET z O ? ? 1 +48920 N N . VAL AM 20 1.1047 1.1645 1.0677 0.1280 0.0321 -0.1014 20 VAL z N ? ? 1 +48921 C CA . VAL AM 20 1.0713 1.1483 1.0525 0.1221 0.0285 -0.0974 20 VAL z CA ? ? 1 +48922 C CB . VAL AM 20 1.0544 1.1371 1.0520 0.1179 0.0256 -0.0965 20 VAL z CB ? ? 1 +48923 C CG1 . VAL AM 20 1.0367 1.1306 1.0477 0.1093 0.0179 -0.0949 20 VAL z CG1 ? ? 1 +48924 C CG2 . VAL AM 20 1.0417 1.1347 1.0527 0.1232 0.0338 -0.0925 20 VAL z CG2 ? ? 1 +48925 C C . VAL AM 20 1.0680 1.1439 1.0428 0.1164 0.0204 -0.0990 20 VAL z C ? ? 1 +48926 O O . VAL AM 20 1.0554 1.1439 1.0384 0.1145 0.0199 -0.0956 20 VAL z O ? ? 1 +48927 N N . ILE AM 21 1.0818 1.1424 1.0422 0.1136 0.0141 -0.1043 21 ILE z N ? ? 1 +48928 C CA . ILE AM 21 1.0835 1.1414 1.0361 0.1087 0.0060 -0.1067 21 ILE z CA ? ? 1 +48929 C CB . ILE AM 21 1.0941 1.1395 1.0400 0.1029 -0.0025 -0.1123 21 ILE z CB ? ? 1 +48930 C CG1 . ILE AM 21 1.0761 1.1290 1.0404 0.0974 -0.0051 -0.1111 21 ILE z CG1 ? ? 1 +48931 C CG2 . ILE AM 21 1.1016 1.1441 1.0385 0.0982 -0.0113 -0.1153 21 ILE z CG2 ? ? 1 +48932 C CD1 . ILE AM 21 1.0803 1.1272 1.0442 0.0889 -0.0150 -0.1156 21 ILE z CD1 ? ? 1 +48933 C C . ILE AM 21 1.0973 1.1476 1.0313 0.1141 0.0092 -0.1076 21 ILE z C ? ? 1 +48934 O O . ILE AM 21 1.0936 1.1488 1.0256 0.1123 0.0059 -0.1065 21 ILE z O ? ? 1 +48935 N N . GLY AM 22 1.1125 1.1507 1.0328 0.1209 0.0156 -0.1095 22 GLY z N ? ? 1 +48936 C CA . GLY AM 22 1.1323 1.1597 1.0320 0.1260 0.0185 -0.1113 22 GLY z CA ? ? 1 +48937 C C . GLY AM 22 1.1255 1.1640 1.0280 0.1298 0.0248 -0.1065 22 GLY z C ? ? 1 +48938 O O . GLY AM 22 1.1328 1.1691 1.0247 0.1294 0.0223 -0.1068 22 GLY z O ? ? 1 +48939 N N . VAL AM 23 1.1101 1.1602 1.0267 0.1333 0.0332 -0.1021 23 VAL z N ? ? 1 +48940 C CA . VAL AM 23 1.1039 1.1635 1.0228 0.1375 0.0409 -0.0977 23 VAL z CA ? ? 1 +48941 C CB . VAL AM 23 1.0853 1.1570 1.0210 0.1414 0.0498 -0.0938 23 VAL z CB ? ? 1 +48942 C CG1 . VAL AM 23 1.0755 1.1600 1.0177 0.1439 0.0570 -0.0888 23 VAL z CG1 ? ? 1 +48943 C CG2 . VAL AM 23 1.1017 1.1620 1.0281 0.1481 0.0561 -0.0966 23 VAL z CG2 ? ? 1 +48944 C C . VAL AM 23 1.0935 1.1636 1.0184 0.1326 0.0360 -0.0949 23 VAL z C ? ? 1 +48945 O O . VAL AM 23 1.1010 1.1677 1.0134 0.1347 0.0372 -0.0945 23 VAL z O ? ? 1 +48946 N N . PRO AM 24 1.0808 1.1634 1.0242 0.1262 0.0301 -0.0929 24 PRO z N ? ? 1 +48947 C CA . PRO AM 24 1.0753 1.1683 1.0249 0.1218 0.0256 -0.0901 24 PRO z CA ? ? 1 +48948 C CB . PRO AM 24 1.0508 1.1561 1.0217 0.1153 0.0200 -0.0886 24 PRO z CB ? ? 1 +48949 C CG . PRO AM 24 1.0547 1.1516 1.0255 0.1150 0.0190 -0.0920 24 PRO z CG ? ? 1 +48950 C CD . PRO AM 24 1.0696 1.1565 1.0281 0.1229 0.0277 -0.0932 24 PRO z CD ? ? 1 +48951 C C . PRO AM 24 1.0996 1.1815 1.0311 0.1200 0.0180 -0.0936 24 PRO z C ? ? 1 +48952 O O . PRO AM 24 1.1070 1.1915 1.0331 0.1208 0.0184 -0.0915 24 PRO z O ? ? 1 +48953 N N . VAL AM 25 1.1140 1.1833 1.0360 0.1175 0.0112 -0.0990 25 VAL z N ? ? 1 +48954 C CA . VAL AM 25 1.1342 1.1922 1.0386 0.1158 0.0033 -0.1032 25 VAL z CA ? ? 1 +48955 C CB . VAL AM 25 1.1474 1.1938 1.0464 0.1118 -0.0044 -0.1092 25 VAL z CB ? ? 1 +48956 C CG1 . VAL AM 25 1.1768 1.2053 1.0510 0.1131 -0.0091 -0.1147 25 VAL z CG1 ? ? 1 +48957 C CG2 . VAL AM 25 1.1292 1.1861 1.0453 0.1034 -0.0133 -0.1091 25 VAL z CG2 ? ? 1 +48958 C C . VAL AM 25 1.1592 1.2060 1.0422 0.1225 0.0089 -0.1038 25 VAL z C ? ? 1 +48959 O O . VAL AM 25 1.1676 1.2119 1.0399 0.1223 0.0053 -0.1040 25 VAL z O ? ? 1 +48960 N N . ALA AM 26 1.1741 1.2141 1.0507 0.1287 0.0179 -0.1042 26 ALA z N ? ? 1 +48961 C CA . ALA AM 26 1.1986 1.2282 1.0555 0.1355 0.0246 -0.1046 26 ALA z CA ? ? 1 +48962 C CB . ALA AM 26 1.2113 1.2332 1.0634 0.1416 0.0333 -0.1059 26 ALA z CB ? ? 1 +48963 C C . ALA AM 26 1.1927 1.2335 1.0540 0.1376 0.0306 -0.0990 26 ALA z C ? ? 1 +48964 O O . ALA AM 26 1.2067 1.2411 1.0522 0.1396 0.0303 -0.0992 26 ALA z O ? ? 1 +48965 N N . TYR AM 27 1.1780 1.2351 1.0604 0.1372 0.0360 -0.0941 27 TYR z N ? ? 1 +48966 C CA . TYR AM 27 1.1758 1.2439 1.0637 0.1390 0.0424 -0.0887 27 TYR z CA ? ? 1 +48967 C CB . TYR AM 27 1.1486 1.2343 1.0612 0.1384 0.0483 -0.0841 27 TYR z CB ? ? 1 +48968 C CG . TYR AM 27 1.1467 1.2320 1.0605 0.1448 0.0594 -0.0835 27 TYR z CG ? ? 1 +48969 C CD1 . TYR AM 27 1.1663 1.2413 1.0623 0.1513 0.0672 -0.0844 27 TYR z CD1 ? ? 1 +48970 C CD2 . TYR AM 27 1.1263 1.2225 1.0598 0.1446 0.0624 -0.0818 27 TYR z CD2 ? ? 1 +48971 C CE1 . TYR AM 27 1.1706 1.2463 1.0686 0.1573 0.0775 -0.0839 27 TYR z CE1 ? ? 1 +48972 C CE2 . TYR AM 27 1.1312 1.2279 1.0665 0.1507 0.0724 -0.0813 27 TYR z CE2 ? ? 1 +48973 C CZ . TYR AM 27 1.1506 1.2374 1.0686 0.1571 0.0799 -0.0824 27 TYR z CZ ? ? 1 +48974 O OH . TYR AM 27 1.1549 1.2430 1.0756 0.1633 0.0898 -0.0821 27 TYR z OH ? ? 1 +48975 C C . TYR AM 27 1.1838 1.2557 1.0703 0.1347 0.0351 -0.0873 27 TYR z C ? ? 1 +48976 O O . TYR AM 27 1.1909 1.2640 1.0707 0.1372 0.0393 -0.0844 27 TYR z O ? ? 1 +48977 N N . ALA AM 28 1.1862 1.2602 1.0791 0.1285 0.0242 -0.0894 28 ALA z N ? ? 1 +48978 C CA . ALA AM 28 1.1958 1.2750 1.0899 0.1243 0.0164 -0.0882 28 ALA z CA ? ? 1 +48979 C CB . ALA AM 28 1.1703 1.2639 1.0875 0.1176 0.0102 -0.0867 28 ALA z CB ? ? 1 +48980 C C . ALA AM 28 1.2398 1.3042 1.1130 0.1236 0.0076 -0.0932 28 ALA z C ? ? 1 +48981 O O . ALA AM 28 1.2323 1.3001 1.1064 0.1197 -0.0008 -0.0932 28 ALA z O ? ? 1 +48982 N N . SER AM 29 1.2998 1.3479 1.1542 0.1275 0.0094 -0.0975 29 SER z N ? ? 1 +48983 C CA . SER AM 29 1.3553 1.3882 1.1878 0.1276 0.0018 -0.1025 29 SER z CA ? ? 1 +48984 C CB . SER AM 29 1.3612 1.3820 1.1871 0.1263 -0.0027 -0.1087 29 SER z CB ? ? 1 +48985 O OG . SER AM 29 1.3439 1.3723 1.1854 0.1190 -0.0119 -0.1102 29 SER z OG ? ? 1 +48986 C C . SER AM 29 1.4222 1.4437 1.2320 0.1341 0.0075 -0.1022 29 SER z C ? ? 1 +48987 O O . SER AM 29 1.4399 1.4563 1.2432 0.1397 0.0176 -0.1015 29 SER z O ? ? 1 +48988 N N . PRO AM 30 1.4884 1.5052 1.2849 0.1337 0.0012 -0.1029 30 PRO z N ? ? 1 +48989 C CA . PRO AM 30 1.5280 1.5340 1.3024 0.1397 0.0067 -0.1021 30 PRO z CA ? ? 1 +48990 C CB . PRO AM 30 1.5270 1.5335 1.2951 0.1373 -0.0027 -0.1019 30 PRO z CB ? ? 1 +48991 C CG . PRO AM 30 1.5025 1.5145 1.2831 0.1303 -0.0150 -0.1052 30 PRO z CG ? ? 1 +48992 C CD . PRO AM 30 1.4784 1.4994 1.2798 0.1276 -0.0117 -0.1047 30 PRO z CD ? ? 1 +48993 C C . PRO AM 30 1.5743 1.5609 1.3258 0.1443 0.0085 -0.1074 30 PRO z C ? ? 1 +48994 O O . PRO AM 30 1.5699 1.5523 1.3163 0.1496 0.0193 -0.1064 30 PRO z O ? ? 1 +48995 N N . GLN AM 31 1.6288 1.6042 1.3673 0.1421 -0.0022 -0.1131 31 GLN z N ? ? 1 +48996 C CA . GLN AM 31 1.6962 1.6524 1.4124 0.1458 -0.0019 -0.1187 31 GLN z CA ? ? 1 +48997 C CB . GLN AM 31 1.7260 1.6711 1.4275 0.1427 -0.0152 -0.1248 31 GLN z CB ? ? 1 +48998 C CG . GLN AM 31 1.7237 1.6776 1.4428 0.1347 -0.0267 -0.1272 31 GLN z CG ? ? 1 +48999 C CD . GLN AM 31 1.7088 1.6783 1.4428 0.1304 -0.0324 -0.1234 31 GLN z CD ? ? 1 +49000 O OE1 . GLN AM 31 1.7192 1.6874 1.4426 0.1324 -0.0344 -0.1218 31 GLN z OE1 ? ? 1 +49001 N NE2 . GLN AM 31 1.6741 1.6585 1.4329 0.1247 -0.0351 -0.1218 31 GLN z NE2 ? ? 1 +49002 C C . GLN AM 31 1.7235 1.6785 1.4482 0.1460 0.0026 -0.1206 31 GLN z C ? ? 1 +49003 O O . GLN AM 31 1.6874 1.6545 1.4341 0.1415 0.0011 -0.1194 31 GLN z O ? ? 1 +49004 N N . ASP AM 32 1.7938 1.7330 1.4995 0.1515 0.0081 -0.1238 32 ASP z N ? ? 1 +49005 C CA . ASP AM 32 1.8170 1.7520 1.5265 0.1532 0.0133 -0.1259 32 ASP z CA ? ? 1 +49006 C CB . ASP AM 32 1.8148 1.7469 1.5302 0.1470 0.0027 -0.1310 32 ASP z CB ? ? 1 +49007 C CG . ASP AM 32 1.8275 1.7449 1.5329 0.1494 0.0049 -0.1360 32 ASP z CG ? ? 1 +49008 O OD1 . ASP AM 32 1.8145 1.7160 1.4971 0.1552 0.0087 -0.1387 32 ASP z OD1 ? ? 1 +49009 O OD2 . ASP AM 32 1.8211 1.7422 1.5408 0.1457 0.0029 -0.1371 32 ASP z OD2 ? ? 1 +49010 C C . ASP AM 32 1.7989 1.7496 1.5297 0.1547 0.0235 -0.1201 32 ASP z C ? ? 1 +49011 O O . ASP AM 32 1.8012 1.7591 1.5492 0.1521 0.0236 -0.1200 32 ASP z O ? ? 1 +49012 N N . TRP AM 33 1.7739 1.7305 1.5038 0.1586 0.0320 -0.1152 33 TRP z N ? ? 1 +49013 C CA . TRP AM 33 1.7528 1.7228 1.5001 0.1610 0.0430 -0.1100 33 TRP z CA ? ? 1 +49014 C CB . TRP AM 33 1.7358 1.7178 1.4893 0.1614 0.0477 -0.1040 33 TRP z CB ? ? 1 +49015 C CG . TRP AM 33 1.7291 1.7208 1.4937 0.1656 0.0610 -0.0995 33 TRP z CG ? ? 1 +49016 C CD1 . TRP AM 33 1.7445 1.7331 1.4981 0.1713 0.0715 -0.0971 33 TRP z CD1 ? ? 1 +49017 N NE1 . TRP AM 33 1.7329 1.7336 1.5030 0.1737 0.0820 -0.0935 33 TRP z NE1 ? ? 1 +49018 C CE2 . TRP AM 33 1.7074 1.7188 1.4990 0.1698 0.0782 -0.0934 33 TRP z CE2 ? ? 1 +49019 C CZ2 . TRP AM 33 1.6810 1.7065 1.4943 0.1705 0.0849 -0.0906 33 TRP z CZ2 ? ? 1 +49020 C CH2 . TRP AM 33 1.6504 1.6836 1.4814 0.1659 0.0786 -0.0911 33 TRP z CH2 ? ? 1 +49021 C CZ3 . TRP AM 33 1.6547 1.6822 1.4829 0.1605 0.0663 -0.0946 33 TRP z CZ3 ? ? 1 +49022 C CE3 . TRP AM 33 1.6838 1.6982 1.4916 0.1597 0.0594 -0.0976 33 TRP z CE3 ? ? 1 +49023 C CD2 . TRP AM 33 1.7074 1.7134 1.4961 0.1645 0.0652 -0.0970 33 TRP z CD2 ? ? 1 +49024 C C . TRP AM 33 1.7704 1.7306 1.5071 0.1683 0.0537 -0.1115 33 TRP z C ? ? 1 +49025 O O . TRP AM 33 1.7739 1.7417 1.5253 0.1698 0.0601 -0.1101 33 TRP z O ? ? 1 +49026 N N . ASP AM 34 1.7948 1.7380 1.5055 0.1730 0.0554 -0.1146 34 ASP z N ? ? 1 +49027 C CA . ASP AM 34 1.8047 1.7375 1.5030 0.1804 0.0658 -0.1162 34 ASP z CA ? ? 1 +49028 C CB . ASP AM 34 1.8221 1.7382 1.4915 0.1851 0.0678 -0.1182 34 ASP z CB ? ? 1 +49029 C CG . ASP AM 34 1.8145 1.7371 1.4818 0.1870 0.0742 -0.1130 34 ASP z CG ? ? 1 +49030 O OD1 . ASP AM 34 1.7993 1.7336 1.4798 0.1895 0.0849 -0.1085 34 ASP z OD1 ? ? 1 +49031 O OD2 . ASP AM 34 1.8231 1.7386 1.4750 0.1862 0.0687 -0.1135 34 ASP z OD2 ? ? 1 +49032 C C . ASP AM 34 1.8148 1.7384 1.5119 0.1810 0.0639 -0.1212 34 ASP z C ? ? 1 +49033 O O . ASP AM 34 1.8203 1.7418 1.5176 0.1864 0.0732 -0.1213 34 ASP z O ? ? 1 +49034 N N . ARG AM 35 1.8064 1.7240 1.5015 0.1755 0.0519 -0.1254 35 ARG z N ? ? 1 +49035 C CA . ARG AM 35 1.7958 1.7067 1.4935 0.1744 0.0489 -0.1296 35 ARG z CA ? ? 1 +49036 C CB . ARG AM 35 1.8206 1.7214 1.5096 0.1684 0.0352 -0.1351 35 ARG z CB ? ? 1 +49037 C CG . ARG AM 35 1.8357 1.7291 1.5279 0.1660 0.0311 -0.1396 35 ARG z CG ? ? 1 +49038 C CD . ARG AM 35 1.8441 1.7317 1.5330 0.1585 0.0172 -0.1443 35 ARG z CD ? ? 1 +49039 N NE . ARG AM 35 1.8413 1.7252 1.5380 0.1548 0.0133 -0.1477 35 ARG z NE ? ? 1 +49040 C CZ . ARG AM 35 1.8529 1.7193 1.5349 0.1572 0.0137 -0.1529 35 ARG z CZ ? ? 1 +49041 N NH1 . ARG AM 35 1.8758 1.7267 1.5345 0.1638 0.0183 -0.1556 35 ARG z NH1 ? ? 1 +49042 N NH2 . ARG AM 35 1.8400 1.7040 1.5304 0.1529 0.0095 -0.1555 35 ARG z NH2 ? ? 1 +49043 C C . ARG AM 35 1.7459 1.6745 1.4719 0.1716 0.0511 -0.1258 35 ARG z C ? ? 1 +49044 O O . ARG AM 35 1.7478 1.6752 1.4789 0.1749 0.0568 -0.1264 35 ARG z O ? ? 1 +49045 N N . SER AM 36 1.6846 1.6293 1.4282 0.1659 0.0465 -0.1219 36 SER z N ? ? 1 +49046 C CA . SER AM 36 1.6203 1.5823 1.3908 0.1626 0.0476 -0.1182 36 SER z CA ? ? 1 +49047 C CB . SER AM 36 1.5918 1.5685 1.3768 0.1561 0.0409 -0.1147 36 SER z CB ? ? 1 +49048 O OG . SER AM 36 1.5848 1.5548 1.3643 0.1502 0.0285 -0.1189 36 SER z OG ? ? 1 +49049 C C . SER AM 36 1.5934 1.5644 1.3739 0.1685 0.0604 -0.1141 36 SER z C ? ? 1 +49050 O O . SER AM 36 1.5879 1.5641 1.3822 0.1690 0.0630 -0.1137 36 SER z O ? ? 1 +49051 N N . LYS AM 37 1.5831 1.5557 1.3562 0.1731 0.0683 -0.1112 37 LYS z N ? ? 1 +49052 C CA . LYS AM 37 1.5763 1.5583 1.3590 0.1785 0.0808 -0.1074 37 LYS z CA ? ? 1 +49053 C CB . LYS AM 37 1.6030 1.5841 1.3736 0.1827 0.0884 -0.1048 37 LYS z CB ? ? 1 +49054 C CG . LYS AM 37 1.6170 1.6013 1.3893 0.1900 0.1025 -0.1029 37 LYS z CG ? ? 1 +49055 C CD . LYS AM 37 1.6412 1.6243 1.4015 0.1938 0.1107 -0.1003 37 LYS z CD ? ? 1 +49056 C CE . LYS AM 37 1.6282 1.6304 1.4072 0.1914 0.1151 -0.0940 37 LYS z CE ? ? 1 +49057 N NZ . LYS AM 37 1.6460 1.6495 1.4191 0.1972 0.1283 -0.0914 37 LYS z NZ ? ? 1 +49058 C C . LYS AM 37 1.5725 1.5457 1.3508 0.1842 0.0866 -0.1106 37 LYS z C ? ? 1 +49059 O O . LYS AM 37 1.5627 1.5467 1.3580 0.1863 0.0926 -0.1082 37 LYS z O ? ? 1 +49060 N N . GLN AM 38 1.5755 1.5288 1.3308 0.1869 0.0844 -0.1159 38 GLN z N ? ? 1 +49061 C CA . GLN AM 38 1.5700 1.5127 1.3184 0.1928 0.0898 -0.1193 38 GLN z CA ? ? 1 +49062 C CB . GLN AM 38 1.6103 1.5312 1.3291 0.1973 0.0904 -0.1243 38 GLN z CB ? ? 1 +49063 C CG . GLN AM 38 1.6293 1.5361 1.3326 0.1924 0.0783 -0.1290 38 GLN z CG ? ? 1 +49064 C CD . GLN AM 38 1.6670 1.5518 1.3415 0.1977 0.0798 -0.1342 38 GLN z CD ? ? 1 +49065 O OE1 . GLN AM 38 1.6856 1.5576 1.3437 0.1947 0.0710 -0.1383 38 GLN z OE1 ? ? 1 +49066 N NE2 . GLN AM 38 1.6831 1.5629 1.3502 0.2057 0.0909 -0.1344 38 GLN z NE2 ? ? 1 +49067 C C . GLN AM 38 1.5274 1.4704 1.2878 0.1892 0.0837 -0.1214 38 GLN z C ? ? 1 +49068 O O . GLN AM 38 1.5148 1.4587 1.2819 0.1935 0.0896 -0.1215 38 GLN z O ? ? 1 +49069 N N . LEU AM 39 1.5045 1.4470 1.2681 0.1814 0.0720 -0.1229 39 LEU z N ? ? 1 +49070 C CA . LEU AM 39 1.4909 1.4351 1.2676 0.1771 0.0663 -0.1242 39 LEU z CA ? ? 1 +49071 C CB . LEU AM 39 1.4870 1.4309 1.2660 0.1680 0.0533 -0.1261 39 LEU z CB ? ? 1 +49072 C CG . LEU AM 39 1.5186 1.4438 1.2748 0.1662 0.0455 -0.1319 39 LEU z CG ? ? 1 +49073 C CD1 . LEU AM 39 1.5300 1.4601 1.2847 0.1610 0.0379 -0.1311 39 LEU z CD1 ? ? 1 +49074 C CD2 . LEU AM 39 1.5167 1.4322 1.2727 0.1618 0.0379 -0.1366 39 LEU z CD2 ? ? 1 +49075 C C . LEU AM 39 1.4623 1.4261 1.2655 0.1767 0.0708 -0.1191 39 LEU z C ? ? 1 +49076 O O . LEU AM 39 1.4544 1.4181 1.2662 0.1778 0.0720 -0.1198 39 LEU z O ? ? 1 +49077 N N . ILE AM 40 1.4347 1.4149 1.2506 0.1748 0.0727 -0.1140 40 ILE z N ? ? 1 +49078 C CA . ILE AM 40 1.3942 1.3937 1.2351 0.1742 0.0767 -0.1090 40 ILE z CA ? ? 1 +49079 C CB . ILE AM 40 1.3746 1.3898 1.2268 0.1698 0.0753 -0.1043 40 ILE z CB ? ? 1 +49080 C CG1 . ILE AM 40 1.3702 1.3845 1.2227 0.1613 0.0628 -0.1056 40 ILE z CG1 ? ? 1 +49081 C CG2 . ILE AM 40 1.3553 1.3903 1.2324 0.1697 0.0806 -0.0991 40 ILE z CG2 ? ? 1 +49082 C CD1 . ILE AM 40 1.3716 1.3788 1.2266 0.1568 0.0544 -0.1096 40 ILE z CD1 ? ? 1 +49083 C C . ILE AM 40 1.3937 1.3959 1.2374 0.1825 0.0887 -0.1078 40 ILE z C ? ? 1 +49084 O O . ILE AM 40 1.3906 1.4017 1.2508 0.1834 0.0911 -0.1062 40 ILE z O ? ? 1 +49085 N N . PHE AM 41 1.4067 1.4012 1.2341 0.1886 0.0961 -0.1085 41 PHE z N ? ? 1 +49086 C CA . PHE AM 41 1.4255 1.4192 1.2520 0.1970 0.1071 -0.1086 41 PHE z CA ? ? 1 +49087 C CB . PHE AM 41 1.4857 1.4681 1.2904 0.2031 0.1142 -0.1101 41 PHE z CB ? ? 1 +49088 C CG . PHE AM 41 1.5151 1.5097 1.3244 0.2049 0.1225 -0.1055 41 PHE z CG ? ? 1 +49089 C CD1 . PHE AM 41 1.5155 1.5249 1.3414 0.2091 0.1324 -0.1021 41 PHE z CD1 ? ? 1 +49090 C CD2 . PHE AM 41 1.5371 1.5280 1.3339 0.2026 0.1204 -0.1048 41 PHE z CD2 ? ? 1 +49091 C CE1 . PHE AM 41 1.5191 1.5395 1.3493 0.2103 0.1403 -0.0980 41 PHE z CE1 ? ? 1 +49092 C CE2 . PHE AM 41 1.5442 1.5453 1.3444 0.2041 0.1283 -0.1005 41 PHE z CE2 ? ? 1 +49093 C CZ . PHE AM 41 1.5274 1.5432 1.3444 0.2077 0.1384 -0.0971 41 PHE z CZ ? ? 1 +49094 C C . PHE AM 41 1.4076 1.3908 1.2320 0.1993 0.1053 -0.1125 41 PHE z C ? ? 1 +49095 O O . PHE AM 41 1.3899 1.3816 1.2290 0.2024 0.1101 -0.1109 41 PHE z O ? ? 1 +49096 N N . LEU AM 42 1.4049 1.3695 1.2108 0.1976 0.0983 -0.1175 42 LEU z N ? ? 1 +49097 C CA . LEU AM 42 1.4007 1.3528 1.2022 0.1988 0.0956 -0.1216 42 LEU z CA ? ? 1 +49098 C CB . LEU AM 42 1.4171 1.3501 1.1992 0.1945 0.0859 -0.1271 42 LEU z CB ? ? 1 +49099 C CG . LEU AM 42 1.4417 1.3523 1.1972 0.1999 0.0876 -0.1326 42 LEU z CG ? ? 1 +49100 C CD1 . LEU AM 42 1.4484 1.3442 1.1983 0.1977 0.0811 -0.1374 42 LEU z CD1 ? ? 1 +49101 C CD2 . LEU AM 42 1.4495 1.3590 1.1993 0.2097 0.0999 -0.1319 42 LEU z CD2 ? ? 1 +49102 C C . LEU AM 42 1.3741 1.3376 1.1979 0.1947 0.0918 -0.1196 42 LEU z C ? ? 1 +49103 O O . LEU AM 42 1.3847 1.3491 1.2155 0.1993 0.0964 -0.1195 42 LEU z O ? ? 1 +49104 N N . GLY AM 43 1.3460 1.3171 1.1797 0.1861 0.0831 -0.1181 43 GLY z N ? ? 1 +49105 C CA . GLY AM 43 1.3187 1.2997 1.1724 0.1812 0.0786 -0.1162 43 GLY z CA ? ? 1 +49106 C C . GLY AM 43 1.2976 1.2957 1.1713 0.1854 0.0866 -0.1117 43 GLY z C ? ? 1 +49107 O O . GLY AM 43 1.2996 1.2987 1.1826 0.1869 0.0872 -0.1117 43 GLY z O ? ? 1 +49108 N N . SER AM 44 1.2780 1.2889 1.1574 0.1874 0.0928 -0.1078 44 SER z N ? ? 1 +49109 C CA . SER AM 44 1.2466 1.2748 1.1448 0.1914 0.1009 -0.1035 44 SER z CA ? ? 1 +49110 C CB . SER AM 44 1.2403 1.2793 1.1402 0.1926 0.1071 -0.1001 44 SER z CB ? ? 1 +49111 O OG . SER AM 44 1.2233 1.2692 1.1278 0.1849 0.1002 -0.0979 44 SER z OG ? ? 1 +49112 C C . SER AM 44 1.2388 1.2614 1.1343 0.2001 0.1085 -0.1053 44 SER z C ? ? 1 +49113 O O . SER AM 44 1.2277 1.2581 1.1385 0.2014 0.1095 -0.1039 44 SER z O ? ? 1 +49114 N N . GLY AM 45 1.2477 1.2564 1.1233 0.2063 0.1136 -0.1085 45 GLY z N ? ? 1 +49115 C CA . GLY AM 45 1.2517 1.2529 1.1221 0.2150 0.1205 -0.1108 45 GLY z CA ? ? 1 +49116 C C . GLY AM 45 1.2484 1.2399 1.1194 0.2143 0.1151 -0.1135 45 GLY z C ? ? 1 +49117 O O . GLY AM 45 1.2397 1.2361 1.1212 0.2192 0.1192 -0.1128 45 GLY z O ? ? 1 +49118 N N . LEU AM 46 1.2491 1.2271 1.1089 0.2082 0.1057 -0.1167 46 LEU z N ? ? 1 +49119 C CA . LEU AM 46 1.2487 1.2159 1.1075 0.2060 0.0996 -0.1194 46 LEU z CA ? ? 1 +49120 C CB . LEU AM 46 1.2600 1.2148 1.1067 0.1976 0.0890 -0.1227 46 LEU z CB ? ? 1 +49121 C CG . LEU AM 46 1.2845 1.2157 1.1120 0.1974 0.0843 -0.1286 46 LEU z CG ? ? 1 +49122 C CD1 . LEU AM 46 1.2979 1.2199 1.1217 0.2056 0.0901 -0.1304 46 LEU z CD1 ? ? 1 +49123 C CD2 . LEU AM 46 1.3058 1.2226 1.1101 0.1976 0.0828 -0.1324 46 LEU z CD2 ? ? 1 +49124 C C . LEU AM 46 1.2190 1.2017 1.1017 0.2028 0.0975 -0.1157 46 LEU z C ? ? 1 +49125 O O . LEU AM 46 1.2258 1.2044 1.1123 0.2057 0.0979 -0.1165 46 LEU z O ? ? 1 +49126 N N . TRP AM 47 1.1847 1.1845 1.0827 0.1968 0.0950 -0.1116 47 TRP z N ? ? 1 +49127 C CA . TRP AM 47 1.1511 1.1666 1.0720 0.1930 0.0926 -0.1078 47 TRP z CA ? ? 1 +49128 C CB . TRP AM 47 1.1242 1.1554 1.0572 0.1856 0.0889 -0.1041 47 TRP z CB ? ? 1 +49129 C CG . TRP AM 47 1.0904 1.1356 1.0448 0.1800 0.0844 -0.1007 47 TRP z CG ? ? 1 +49130 C CD1 . TRP AM 47 1.0807 1.1223 1.0381 0.1724 0.0755 -0.1016 47 TRP z CD1 ? ? 1 +49131 N NE1 . TRP AM 47 1.0549 1.1127 1.0338 0.1693 0.0743 -0.0977 47 TRP z NE1 ? ? 1 +49132 C CE2 . TRP AM 47 1.0442 1.1163 1.0345 0.1750 0.0823 -0.0942 47 TRP z CE2 ? ? 1 +49133 C CZ2 . TRP AM 47 1.0198 1.1105 1.0319 0.1747 0.0843 -0.0898 47 TRP z CZ2 ? ? 1 +49134 C CH2 . TRP AM 47 1.0126 1.1152 1.0323 0.1811 0.0930 -0.0873 47 TRP z CH2 ? ? 1 +49135 C CZ3 . TRP AM 47 1.0281 1.1243 1.0343 0.1877 0.1000 -0.0891 47 TRP z CZ3 ? ? 1 +49136 C CE3 . TRP AM 47 1.0524 1.1297 1.0364 0.1882 0.0982 -0.0933 47 TRP z CE3 ? ? 1 +49137 C CD2 . TRP AM 47 1.0630 1.1278 1.0386 0.1817 0.0890 -0.0960 47 TRP z CD2 ? ? 1 +49138 C C . TRP AM 47 1.1416 1.1687 1.0760 0.2007 0.1011 -0.1052 47 TRP z C ? ? 1 +49139 O O . TRP AM 47 1.1311 1.1598 1.0752 0.2016 0.1001 -0.1047 47 TRP z O ? ? 1 +49140 N N . ILE AM 48 1.1436 1.1784 1.0780 0.2062 0.1095 -0.1036 48 ILE z N ? ? 1 +49141 C CA . ILE AM 48 1.1386 1.1849 1.0851 0.2139 0.1183 -0.1016 48 ILE z CA ? ? 1 +49142 C CB . ILE AM 48 1.1396 1.1937 1.0841 0.2182 0.1271 -0.1001 48 ILE z CB ? ? 1 +49143 C CG1 . ILE AM 48 1.1198 1.1893 1.0754 0.2113 0.1253 -0.0960 48 ILE z CG1 ? ? 1 +49144 C CG2 . ILE AM 48 1.1372 1.2014 1.0921 0.2272 0.1369 -0.0989 48 ILE z CG2 ? ? 1 +49145 C CD1 . ILE AM 48 1.1333 1.2001 1.0753 0.2125 0.1302 -0.0961 48 ILE z CD1 ? ? 1 +49146 C C . ILE AM 48 1.1597 1.1920 1.0972 0.2214 0.1208 -0.1051 48 ILE z C ? ? 1 +49147 O O . ILE AM 48 1.1514 1.1910 1.1020 0.2253 0.1231 -0.1038 48 ILE z O ? ? 1 +49148 N N . ALA AM 49 1.1880 1.1998 1.1027 0.2233 0.1200 -0.1097 49 ALA z N ? ? 1 +49149 C CA . ALA AM 49 1.2078 1.2037 1.1109 0.2304 0.1223 -0.1135 49 ALA z CA ? ? 1 +49150 C CB . ALA AM 49 1.2346 1.2088 1.1114 0.2315 0.1214 -0.1184 49 ALA z CB ? ? 1 +49151 C C . ALA AM 49 1.2024 1.1939 1.1120 0.2276 0.1159 -0.1139 49 ALA z C ? ? 1 +49152 O O . ALA AM 49 1.2078 1.1993 1.1225 0.2341 0.1194 -0.1139 49 ALA z O ? ? 1 +49153 N N . LEU AM 50 1.1937 1.1814 1.1029 0.2180 0.1066 -0.1141 50 LEU z N ? ? 1 +49154 C CA . LEU AM 50 1.1899 1.1731 1.1050 0.2140 0.1002 -0.1144 50 LEU z CA ? ? 1 +49155 C CB . LEU AM 50 1.1904 1.1692 1.1028 0.2029 0.0904 -0.1152 50 LEU z CB ? ? 1 +49156 C CG . LEU AM 50 1.2174 1.1744 1.1064 0.2007 0.0862 -0.1205 50 LEU z CG ? ? 1 +49157 C CD1 . LEU AM 50 1.2132 1.1693 1.1030 0.1894 0.0764 -0.1210 50 LEU z CD1 ? ? 1 +49158 C CD2 . LEU AM 50 1.2366 1.1740 1.1131 0.2052 0.0864 -0.1244 50 LEU z CD2 ? ? 1 +49159 C C . LEU AM 50 1.1648 1.1671 1.1036 0.2150 0.1019 -0.1098 50 LEU z C ? ? 1 +49160 O O . LEU AM 50 1.1632 1.1613 1.1058 0.2174 0.1011 -0.1101 50 LEU z O ? ? 1 +49161 N N . VAL AM 51 1.1438 1.1664 1.0981 0.2130 0.1042 -0.1057 51 VAL z N ? ? 1 +49162 C CA . VAL AM 51 1.1158 1.1578 1.0929 0.2138 0.1059 -0.1014 51 VAL z CA ? ? 1 +49163 C CB . VAL AM 51 1.0922 1.1553 1.0841 0.2103 0.1079 -0.0971 51 VAL z CB ? ? 1 +49164 C CG1 . VAL AM 51 1.0698 1.1530 1.0846 0.2130 0.1114 -0.0931 51 VAL z CG1 ? ? 1 +49165 C CG2 . VAL AM 51 1.0825 1.1468 1.0754 0.1996 0.0997 -0.0963 51 VAL z CG2 ? ? 1 +49166 C C . VAL AM 51 1.1205 1.1630 1.0998 0.2247 0.1134 -0.1018 51 VAL z C ? ? 1 +49167 O O . VAL AM 51 1.1136 1.1583 1.1025 0.2266 0.1123 -0.1009 51 VAL z O ? ? 1 +49168 N N . LEU AM 52 1.1326 1.1729 1.1028 0.2319 0.1211 -0.1033 52 LEU z N ? ? 1 +49169 C CA . LEU AM 52 1.1401 1.1811 1.1121 0.2427 0.1285 -0.1041 52 LEU z CA ? ? 1 +49170 C CB . LEU AM 52 1.1485 1.1901 1.1118 0.2491 0.1373 -0.1053 52 LEU z CB ? ? 1 +49171 C CG . LEU AM 52 1.1259 1.1902 1.1054 0.2475 0.1420 -0.1012 52 LEU z CG ? ? 1 +49172 C CD1 . LEU AM 52 1.1368 1.1992 1.1047 0.2514 0.1496 -0.1023 52 LEU z CD1 ? ? 1 +49173 C CD2 . LEU AM 52 1.1067 1.1898 1.1080 0.2525 0.1464 -0.0983 52 LEU z CD2 ? ? 1 +49174 C C . LEU AM 52 1.1621 1.1832 1.1217 0.2463 0.1258 -0.1077 52 LEU z C ? ? 1 +49175 O O . LEU AM 52 1.1602 1.1845 1.1284 0.2520 0.1276 -0.1070 52 LEU z O ? ? 1 +49176 N N . VAL AM 53 1.1833 1.1841 1.1230 0.2426 0.1212 -0.1114 53 VAL z N ? ? 1 +49177 C CA . VAL AM 53 1.2040 1.1838 1.1301 0.2451 0.1182 -0.1150 53 VAL z CA ? ? 1 +49178 C CB . VAL AM 53 1.2244 1.1829 1.1277 0.2403 0.1135 -0.1194 53 VAL z CB ? ? 1 +49179 C CG1 . VAL AM 53 1.2374 1.1766 1.1311 0.2375 0.1071 -0.1223 53 VAL z CG1 ? ? 1 +49180 C CG2 . VAL AM 53 1.2423 1.1910 1.1283 0.2479 0.1203 -0.1226 53 VAL z CG2 ? ? 1 +49181 C C . VAL AM 53 1.1946 1.1771 1.1333 0.2413 0.1126 -0.1131 53 VAL z C ? ? 1 +49182 O O . VAL AM 53 1.2018 1.1791 1.1411 0.2480 0.1144 -0.1137 53 VAL z O ? ? 1 +49183 N N . VAL AM 54 1.1826 1.1729 1.1308 0.2310 0.1058 -0.1107 54 VAL z N ? ? 1 +49184 C CA . VAL AM 54 1.1715 1.1664 1.1330 0.2268 0.1007 -0.1084 54 VAL z CA ? ? 1 +49185 C CB . VAL AM 54 1.1530 1.1567 1.1235 0.2148 0.0936 -0.1061 54 VAL z CB ? ? 1 +49186 C CG1 . VAL AM 54 1.1372 1.1501 1.1248 0.2111 0.0896 -0.1028 54 VAL z CG1 ? ? 1 +49187 C CG2 . VAL AM 54 1.1678 1.1534 1.1208 0.2077 0.0873 -0.1099 54 VAL z CG2 ? ? 1 +49188 C C . VAL AM 54 1.1585 1.1709 1.1388 0.2336 0.1056 -0.1049 54 VAL z C ? ? 1 +49189 O O . VAL AM 54 1.1589 1.1681 1.1436 0.2362 0.1042 -0.1044 54 VAL z O ? ? 1 +49190 N N . GLY AM 55 1.1510 1.1816 1.1421 0.2363 0.1113 -0.1025 55 GLY z N ? ? 1 +49191 C CA . GLY AM 55 1.1354 1.1847 1.1453 0.2425 0.1162 -0.0993 55 GLY z CA ? ? 1 +49192 C C . GLY AM 55 1.1495 1.1911 1.1549 0.2538 0.1210 -0.1013 55 GLY z C ? ? 1 +49193 O O . GLY AM 55 1.1387 1.1888 1.1574 0.2577 0.1213 -0.0994 55 GLY z O ? ? 1 +49194 N N . VAL AM 56 1.1794 1.2047 1.1657 0.2593 0.1246 -0.1053 56 VAL z N ? ? 1 +49195 C CA . VAL AM 56 1.1985 1.2145 1.1781 0.2706 0.1294 -0.1077 56 VAL z CA ? ? 1 +49196 C CB . VAL AM 56 1.2135 1.2199 1.1765 0.2772 0.1361 -0.1113 56 VAL z CB ? ? 1 +49197 C CG1 . VAL AM 56 1.2307 1.2252 1.1852 0.2889 0.1405 -0.1142 56 VAL z CG1 ? ? 1 +49198 C CG2 . VAL AM 56 1.1995 1.2258 1.1732 0.2788 0.1429 -0.1092 56 VAL z CG2 ? ? 1 +49199 C C . VAL AM 56 1.2219 1.2183 1.1916 0.2698 0.1235 -0.1097 56 VAL z C ? ? 1 +49200 O O . VAL AM 56 1.2202 1.2159 1.1945 0.2767 0.1247 -0.1094 56 VAL z O ? ? 1 +49201 N N . LEU AM 57 1.2489 1.2296 1.2051 0.2613 0.1172 -0.1116 57 LEU z N ? ? 1 +49202 C CA . LEU AM 57 1.2786 1.2398 1.2246 0.2591 0.1116 -0.1136 57 LEU z CA ? ? 1 +49203 C CB . LEU AM 57 1.2943 1.2389 1.2241 0.2496 0.1055 -0.1164 57 LEU z CB ? ? 1 +49204 C CG . LEU AM 57 1.3253 1.2454 1.2302 0.2535 0.1068 -0.1218 57 LEU z CG ? ? 1 +49205 C CD1 . LEU AM 57 1.3315 1.2550 1.2297 0.2592 0.1136 -0.1232 57 LEU z CD1 ? ? 1 +49206 C CD2 . LEU AM 57 1.3352 1.2387 1.2272 0.2430 0.0990 -0.1244 57 LEU z CD2 ? ? 1 +49207 C C . LEU AM 57 1.2798 1.2496 1.2419 0.2555 0.1070 -0.1100 57 LEU z C ? ? 1 +49208 O O . LEU AM 57 1.2936 1.2490 1.2495 0.2567 0.1042 -0.1111 57 LEU z O ? ? 1 +49209 N N . ASN AM 58 1.2778 1.2701 1.2597 0.2507 0.1062 -0.1059 58 ASN z N ? ? 1 +49210 C CA . ASN AM 58 1.2728 1.2760 1.2716 0.2483 0.1028 -0.1022 58 ASN z CA ? ? 1 +49211 C CB . ASN AM 58 1.2321 1.2620 1.2522 0.2449 0.1039 -0.0980 58 ASN z CB ? ? 1 +49212 C CG . ASN AM 58 1.2024 1.2456 1.2410 0.2436 0.1012 -0.0941 58 ASN z CG ? ? 1 +49213 O OD1 . ASN AM 58 1.1783 1.2185 1.2195 0.2355 0.0948 -0.0929 58 ASN z OD1 ? ? 1 +49214 N ND2 . ASN AM 58 1.1973 1.2564 1.2499 0.2515 0.1061 -0.0922 58 ASN z ND2 ? ? 1 +49215 C C . ASN AM 58 1.3124 1.3121 1.3125 0.2591 0.1059 -0.1024 58 ASN z C ? ? 1 +49216 O O . ASN AM 58 1.3074 1.3030 1.3112 0.2583 0.1021 -0.1012 58 ASN z O ? ? 1 +49217 N N . PHE AM 59 1.3611 1.3615 1.3571 0.2694 0.1130 -0.1042 59 PHE z N ? ? 1 +49218 C CA . PHE AM 59 1.4113 1.4037 1.4030 0.2811 0.1167 -0.1057 59 PHE z CA ? ? 1 +49219 C CB . PHE AM 59 1.3924 1.4046 1.3977 0.2908 0.1243 -0.1045 59 PHE z CB ? ? 1 +49220 C CG . PHE AM 59 1.3517 1.3910 1.3796 0.2863 0.1248 -0.1003 59 PHE z CG ? ? 1 +49221 C CD1 . PHE AM 59 1.3331 1.3809 1.3629 0.2785 0.1250 -0.0995 59 PHE z CD1 ? ? 1 +49222 C CD2 . PHE AM 59 1.3323 1.3880 1.3791 0.2898 0.1249 -0.0973 59 PHE z CD2 ? ? 1 +49223 C CE1 . PHE AM 59 1.3001 1.3718 1.3500 0.2744 0.1255 -0.0956 59 PHE z CE1 ? ? 1 +49224 C CE2 . PHE AM 59 1.3016 1.3817 1.3690 0.2855 0.1252 -0.0936 59 PHE z CE2 ? ? 1 +49225 C CZ . PHE AM 59 1.2833 1.3710 1.3520 0.2777 0.1257 -0.0927 59 PHE z CZ ? ? 1 +49226 C C . PHE AM 59 1.5009 1.4676 1.4678 0.2847 0.1178 -0.1106 59 PHE z C ? ? 1 +49227 O O . PHE AM 59 1.5268 1.4919 1.4855 0.2896 0.1233 -0.1129 59 PHE z O ? ? 1 +49228 N N . PHE AM 60 1.5619 1.5075 1.5161 0.2826 0.1130 -0.1124 60 PHE z N ? ? 1 +49229 C CA . PHE AM 60 1.6006 1.5453 1.5626 0.2803 0.1081 -0.1100 60 PHE z CA ? ? 1 +49230 C CB . PHE AM 60 1.6976 1.6246 1.6484 0.2906 0.1097 -0.1121 60 PHE z CB ? ? 1 +49231 C CG . PHE AM 60 1.7797 1.7211 1.7445 0.3020 0.1139 -0.1101 60 PHE z CG ? ? 1 +49232 C CD1 . PHE AM 60 1.7972 1.7660 1.7830 0.3031 0.1169 -0.1070 60 PHE z CD1 ? ? 1 +49233 C CD2 . PHE AM 60 1.7989 1.7263 1.7561 0.3113 0.1146 -0.1114 60 PHE z CD2 ? ? 1 +49234 C CE1 . PHE AM 60 1.7963 1.7786 1.7954 0.3133 0.1205 -0.1054 60 PHE z CE1 ? ? 1 +49235 C CE2 . PHE AM 60 1.7898 1.7307 1.7601 0.3219 0.1180 -0.1097 60 PHE z CE2 ? ? 1 +49236 C CZ . PHE AM 60 1.7898 1.7585 1.7813 0.3228 0.1209 -0.1068 60 PHE z CZ ? ? 1 +49237 C C . PHE AM 60 1.5867 1.5234 1.5451 0.2668 0.1005 -0.1097 60 PHE z C ? ? 1 +49238 O O . PHE AM 60 1.5945 1.5368 1.5534 0.2588 0.0989 -0.1097 60 PHE z O ? ? 1 +49239 N N . VAL AM 61 1.5828 1.5068 1.5378 0.2646 0.0960 -0.1094 61 VAL z N ? ? 1 +49240 C CA . VAL AM 61 1.5798 1.5016 1.5378 0.2522 0.0890 -0.1080 61 VAL z CA ? ? 1 +49241 C CB . VAL AM 61 1.5833 1.5017 1.5345 0.2410 0.0854 -0.1098 61 VAL z CB ? ? 1 +49242 C CG1 . VAL AM 61 1.6099 1.5091 1.5394 0.2440 0.0876 -0.1148 61 VAL z CG1 ? ? 1 +49243 C CG2 . VAL AM 61 1.5576 1.5010 1.5256 0.2364 0.0860 -0.1068 61 VAL z CG2 ? ? 1 +49244 C C . VAL AM 61 1.5524 1.4962 1.5331 0.2497 0.0873 -0.1029 61 VAL z C ? ? 1 +49245 O O . VAL AM 61 1.5513 1.4926 1.5356 0.2416 0.0820 -0.1013 61 VAL z O ? ? 1 +49246 N N . VAL AM 62 1.5387 1.5039 1.5346 0.2563 0.0919 -0.1006 62 VAL z N ? ? 1 +49247 C CA . VAL AM 62 1.5226 1.5088 1.5400 0.2553 0.0908 -0.0960 62 VAL z CA ? ? 1 +49248 C CB . VAL AM 62 1.5089 1.5196 1.5423 0.2509 0.0923 -0.0936 62 VAL z CB ? ? 1 +49249 C CG1 . VAL AM 62 1.4858 1.5198 1.5411 0.2551 0.0941 -0.0897 62 VAL z CG1 ? ? 1 +49250 C CG2 . VAL AM 62 1.5064 1.5178 1.5408 0.2373 0.0866 -0.0928 62 VAL z CG2 ? ? 1 +49251 C C . VAL AM 62 1.5392 1.5289 1.5616 0.2679 0.0947 -0.0954 62 VAL z C ? ? 1 +49252 O O . VAL AM 62 1.5532 1.5377 1.5775 0.2691 0.0918 -0.0940 62 VAL z O ? ? 1 +49253 O OXT . VAL AM 62 1.5313 1.5289 1.5559 0.2768 0.1006 -0.0963 62 VAL z OXT ? ? 1 +49254 C C2 A PL9 AN . 1.1160 1.5217 1.6718 0.0032 -0.0126 0.0612 414 PL9 A C2 ? ? 1 +49255 C C2 B PL9 AN . 0.6870 1.0919 1.2422 0.0028 -0.0123 0.0614 414 PL9 A C2 ? ? 1 +49256 C C3 A PL9 AN . 1.0979 1.5192 1.6626 0.0045 -0.0148 0.0607 414 PL9 A C3 ? ? 1 +49257 C C3 B PL9 AN . 0.6735 1.0941 1.2377 0.0047 -0.0148 0.0608 414 PL9 A C3 ? ? 1 +49258 C C4 A PL9 AN . 1.0842 1.5068 1.6458 0.0091 -0.0165 0.0629 414 PL9 A C4 ? ? 1 +49259 C C4 B PL9 AN . 0.6474 1.0694 1.2084 0.0095 -0.0165 0.0630 414 PL9 A C4 ? ? 1 +49260 C C5 A PL9 AN . 1.1069 1.5142 1.6553 0.0128 -0.0158 0.0657 414 PL9 A C5 ? ? 1 +49261 C C5 B PL9 AN . 0.6663 1.0728 1.2140 0.0127 -0.0157 0.0659 414 PL9 A C5 ? ? 1 +49262 C C6 A PL9 AN . 1.1279 1.5191 1.6669 0.0115 -0.0133 0.0664 414 PL9 A C6 ? ? 1 +49263 C C6 B PL9 AN . 0.6894 1.0796 1.2278 0.0106 -0.0128 0.0667 414 PL9 A C6 ? ? 1 +49264 C C1 A PL9 AN . 1.1339 1.5239 1.6767 0.0064 -0.0116 0.0640 414 PL9 A C1 ? ? 1 +49265 C C1 B PL9 AN . 0.6984 1.0877 1.2407 0.0054 -0.0110 0.0643 414 PL9 A C1 ? ? 1 +49266 C C7 A PL9 AN . 1.0808 1.5170 1.6579 0.0010 -0.0156 0.0579 414 PL9 A C7 ? ? 1 +49267 C C7 B PL9 AN . 0.6811 1.1168 1.2577 0.0016 -0.0158 0.0580 414 PL9 A C7 ? ? 1 +49268 C C8 A PL9 AN . 1.0899 1.5229 1.6681 -0.0007 -0.0150 0.0555 414 PL9 A C8 ? ? 1 +49269 C C8 B PL9 AN . 0.7182 1.1509 1.2961 -0.0003 -0.0151 0.0555 414 PL9 A C8 ? ? 1 +49270 C C9 A PL9 AN . 1.1006 1.5421 1.6853 0.0012 -0.0168 0.0529 414 PL9 A C9 ? ? 1 +49271 C C9 B PL9 AN . 0.7641 1.2053 1.3486 0.0015 -0.0169 0.0529 414 PL9 A C9 ? ? 1 +49272 C C10 A PL9 AN . 1.1042 1.5609 1.6975 0.0047 -0.0195 0.0520 414 PL9 A C10 ? ? 1 +49273 C C10 B PL9 AN . 0.7212 1.1775 1.3142 0.0051 -0.0196 0.0520 414 PL9 A C10 ? ? 1 +49274 C C11 A PL9 AN . 1.1002 1.5358 1.6836 0.0002 -0.0162 0.0506 414 PL9 A C11 ? ? 1 +49275 C C11 B PL9 AN . 0.8120 1.2474 1.3953 0.0004 -0.0162 0.0506 414 PL9 A C11 ? ? 1 +49276 C C12 A PL9 AN . 1.0986 1.5213 1.6757 -0.0056 -0.0132 0.0510 414 PL9 A C12 ? ? 1 +49277 C C12 B PL9 AN . 0.8532 1.2741 1.4290 -0.0045 -0.0134 0.0510 414 PL9 A C12 ? ? 1 +49278 C C13 A PL9 AN . 1.0872 1.5149 1.6708 -0.0120 -0.0125 0.0483 414 PL9 A C13 ? ? 1 +49279 C C13 B PL9 AN . 0.8929 1.3179 1.4747 -0.0116 -0.0122 0.0486 414 PL9 A C13 ? ? 1 +49280 C C14 A PL9 AN . 1.0700 1.4890 1.6505 -0.0154 -0.0112 0.0467 414 PL9 A C14 ? ? 1 +49281 C C14 B PL9 AN . 0.9280 1.3493 1.5095 -0.0130 -0.0121 0.0461 414 PL9 A C14 ? ? 1 +49282 C C15 A PL9 AN . 1.0837 1.4851 1.6529 -0.0136 -0.0098 0.0474 414 PL9 A C15 ? ? 1 +49283 C C15 B PL9 AN . 0.9173 1.3303 1.4927 -0.0069 -0.0130 0.0451 414 PL9 A C15 ? ? 1 +49284 C C16 A PL9 AN . 1.0355 1.4618 1.6234 -0.0211 -0.0112 0.0438 414 PL9 A C16 ? ? 1 +49285 C C16 B PL9 AN . 0.9392 1.3647 1.5265 -0.0206 -0.0112 0.0439 414 PL9 A C16 ? ? 1 +49286 C C17 A PL9 AN . 1.0304 1.4450 1.6133 -0.0248 -0.0097 0.0421 414 PL9 A C17 ? ? 1 +49287 C C17 B PL9 AN . 0.9669 1.3794 1.5483 -0.0243 -0.0095 0.0425 414 PL9 A C17 ? ? 1 +49288 C C18 A PL9 AN . 1.0059 1.4183 1.5901 -0.0332 -0.0074 0.0421 414 PL9 A C18 ? ? 1 +49289 C C18 B PL9 AN . 0.9689 1.3799 1.5521 -0.0328 -0.0073 0.0424 414 PL9 A C18 ? ? 1 +49290 C C19 A PL9 AN . 0.9822 1.3901 1.5667 -0.0391 -0.0064 0.0398 414 PL9 A C19 ? ? 1 +49291 C C19 B PL9 AN . 0.9659 1.3807 1.5544 -0.0388 -0.0072 0.0397 414 PL9 A C19 ? ? 1 +49292 C C20 A PL9 AN . 0.9904 1.3926 1.5721 -0.0382 -0.0074 0.0369 414 PL9 A C20 ? ? 1 +49293 C C20 B PL9 AN . 0.9896 1.4109 1.5827 -0.0379 -0.0095 0.0365 414 PL9 A C20 ? ? 1 +49294 C C21 A PL9 AN . 0.9444 1.3534 1.5325 -0.0474 -0.0042 0.0398 414 PL9 A C21 ? ? 1 +49295 C C21 B PL9 AN . 0.9323 1.3448 1.5224 -0.0471 -0.0047 0.0397 414 PL9 A C21 ? ? 1 +49296 C C22 A PL9 AN . 0.9136 1.3335 1.5110 -0.0525 -0.0055 0.0367 414 PL9 A C22 ? ? 1 +49297 C C22 B PL9 AN . 0.9079 1.3285 1.5060 -0.0528 -0.0056 0.0364 414 PL9 A C22 ? ? 1 +49298 C C23 A PL9 AN . 0.9018 1.3208 1.5022 -0.0608 -0.0033 0.0361 414 PL9 A C23 ? ? 1 +49299 C C23 B PL9 AN . 0.9090 1.3279 1.5096 -0.0612 -0.0033 0.0359 414 PL9 A C23 ? ? 1 +49300 C C24 A PL9 AN . 0.8742 1.2994 1.4815 -0.0667 -0.0039 0.0332 414 PL9 A C24 ? ? 1 +49301 C C24 B PL9 AN . 0.8981 1.3220 1.5049 -0.0671 -0.0038 0.0329 414 PL9 A C24 ? ? 1 +49302 C C25 A PL9 AN . 0.8748 1.3091 1.4876 -0.0656 -0.0072 0.0300 414 PL9 A C25 ? ? 1 +49303 C C25 B PL9 AN . 0.8897 1.3213 1.5013 -0.0661 -0.0071 0.0296 414 PL9 A C25 ? ? 1 +49304 C C26 A PL9 AN . 0.8612 1.2845 1.4711 -0.0749 -0.0013 0.0326 414 PL9 A C26 ? ? 1 +49305 C C26 B PL9 AN . 0.9034 1.3258 1.5130 -0.0754 -0.0012 0.0324 414 PL9 A C26 ? ? 1 +49306 C C27 A PL9 AN . 0.8431 1.2636 1.4546 -0.0802 -0.0020 0.0288 414 PL9 A C27 ? ? 1 +49307 C C27 B PL9 AN . 0.8978 1.3193 1.5103 -0.0810 -0.0021 0.0285 414 PL9 A C27 ? ? 1 +49308 C C28 A PL9 AN . 0.8272 1.2446 1.4410 -0.0886 0.0008 0.0281 414 PL9 A C28 ? ? 1 +49309 C C28 B PL9 AN . 0.9033 1.3203 1.5171 -0.0892 0.0010 0.0279 414 PL9 A C28 ? ? 1 +49310 C C29 A PL9 AN . 0.8254 1.2319 1.4354 -0.0936 0.0022 0.0261 414 PL9 A C29 ? ? 1 +49311 C C29 B PL9 AN . 0.9283 1.3362 1.5397 -0.0944 0.0019 0.0255 414 PL9 A C29 ? ? 1 +49312 C C30 A PL9 AN . 0.8433 1.2383 1.4454 -0.0910 0.0008 0.0243 414 PL9 A C30 ? ? 1 +49313 C C30 B PL9 AN . 0.9678 1.3680 1.5740 -0.0924 -0.0003 0.0228 414 PL9 A C30 ? ? 1 +49314 C C31 A PL9 AN . 0.8179 1.2223 1.4311 -0.1023 0.0054 0.0254 414 PL9 A C31 ? ? 1 +49315 C C31 B PL9 AN . 0.9336 1.3380 1.5472 -0.1029 0.0054 0.0250 414 PL9 A C31 ? ? 1 +49316 C C32 A PL9 AN . 0.8305 1.2167 1.4340 -0.1051 0.0080 0.0251 414 PL9 A C32 ? ? 1 +49317 C C32 B PL9 AN . 0.9556 1.3413 1.5590 -0.1054 0.0081 0.0250 414 PL9 A C32 ? ? 1 +49318 C C33 A PL9 AN . 0.8248 1.2073 1.4311 -0.1145 0.0114 0.0238 414 PL9 A C33 ? ? 1 +49319 C C33 B PL9 AN . 0.9535 1.3354 1.5596 -0.1148 0.0116 0.0238 414 PL9 A C33 ? ? 1 +49320 C C34 A PL9 AN . 0.8252 1.1954 1.4269 -0.1195 0.0128 0.0216 414 PL9 A C34 ? ? 1 +49321 C C34 B PL9 AN . 0.9656 1.3357 1.5676 -0.1201 0.0130 0.0215 414 PL9 A C34 ? ? 1 +49322 C C35 A PL9 AN . 0.8373 1.1968 1.4312 -0.1165 0.0106 0.0196 414 PL9 A C35 ? ? 1 +49323 C C35 B PL9 AN . 0.9893 1.3494 1.5842 -0.1175 0.0106 0.0192 414 PL9 A C35 ? ? 1 +49324 C C36 A PL9 AN . 0.8257 1.1902 1.4286 -0.1285 0.0174 0.0214 414 PL9 A C36 ? ? 1 +49325 C C36 B PL9 AN . 0.9753 1.3398 1.5785 -0.1290 0.0176 0.0214 414 PL9 A C36 ? ? 1 +49326 C C37 A PL9 AN . 0.8357 1.1830 1.4262 -0.1273 0.0220 0.0253 414 PL9 A C37 ? ? 1 +49327 C C37 B PL9 AN . 0.9912 1.3386 1.5819 -0.1276 0.0222 0.0254 414 PL9 A C37 ? ? 1 +49328 C C38 A PL9 AN . 0.8445 1.1867 1.4359 -0.1358 0.0274 0.0259 414 PL9 A C38 ? ? 1 +49329 C C38 B PL9 AN . 1.0116 1.3541 1.6034 -0.1361 0.0276 0.0259 414 PL9 A C38 ? ? 1 +49330 C C39 A PL9 AN . 0.8502 1.1836 1.4348 -0.1360 0.0321 0.0299 414 PL9 A C39 ? ? 1 +49331 C C39 B PL9 AN . 1.0280 1.3608 1.6124 -0.1363 0.0324 0.0299 414 PL9 A C39 ? ? 1 +49332 C C40 A PL9 AN . 0.8421 1.1694 1.4167 -0.1270 0.0322 0.0345 414 PL9 A C40 ? ? 1 +49333 C C40 B PL9 AN . 1.0025 1.3279 1.5761 -0.1273 0.0326 0.0345 414 PL9 A C40 ? ? 1 +49334 C C41 A PL9 AN . 0.8586 1.1879 1.4453 -0.1454 0.0378 0.0299 414 PL9 A C41 ? ? 1 +49335 C C41 B PL9 AN . 1.0476 1.3763 1.6341 -0.1458 0.0381 0.0299 414 PL9 A C41 ? ? 1 +49336 C C42 A PL9 AN . 0.8451 1.1865 1.4390 -0.1465 0.0402 0.0322 414 PL9 A C42 ? ? 1 +49337 C C42 B PL9 AN . 1.0396 1.3801 1.6332 -0.1471 0.0406 0.0322 414 PL9 A C42 ? ? 1 +49338 C C43 A PL9 AN . 0.8270 1.1876 1.4374 -0.1520 0.0384 0.0285 414 PL9 A C43 ? ? 1 +49339 C C43 B PL9 AN . 1.0245 1.3846 1.6347 -0.1523 0.0388 0.0286 414 PL9 A C43 ? ? 1 +49340 C C44 A PL9 AN . 0.8236 1.1924 1.4429 -0.1588 0.0420 0.0280 414 PL9 A C44 ? ? 1 +49341 C C44 B PL9 AN . 1.0324 1.3997 1.6516 -0.1601 0.0424 0.0275 414 PL9 A C44 ? ? 1 +49342 C C45 A PL9 AN . 0.8312 1.1913 1.4451 -0.1622 0.0488 0.0315 414 PL9 A C45 ? ? 1 +49343 C C45 B PL9 AN . 1.0262 1.3834 1.6401 -0.1649 0.0496 0.0305 414 PL9 A C45 ? ? 1 +49344 C C46 A PL9 AN . 0.8136 1.2010 1.4492 -0.1639 0.0393 0.0235 414 PL9 A C46 ? ? 1 +49345 C C46 B PL9 AN . 1.0343 1.4205 1.6699 -0.1649 0.0395 0.0231 414 PL9 A C46 ? ? 1 +49346 C C47 A PL9 AN . 0.8116 1.2020 1.4499 -0.1627 0.0334 0.0194 414 PL9 A C47 ? ? 1 +49347 C C47 B PL9 AN . 1.0414 1.4313 1.6799 -0.1633 0.0334 0.0190 414 PL9 A C47 ? ? 1 +49348 C C48 A PL9 AN . 0.8132 1.2137 1.4642 -0.1709 0.0322 0.0142 414 PL9 A C48 ? ? 1 +49349 C C48 B PL9 AN . 1.0474 1.4479 1.6987 -0.1712 0.0319 0.0137 414 PL9 A C48 ? ? 1 +49350 C C49 A PL9 AN . 0.8174 1.2234 1.4734 -0.1715 0.0271 0.0098 414 PL9 A C49 ? ? 1 +49351 C C49 B PL9 AN . 1.0566 1.4619 1.7123 -0.1717 0.0268 0.0094 414 PL9 A C49 ? ? 1 +49352 C C50 A PL9 AN . 0.8036 1.2202 1.4726 -0.1798 0.0260 0.0046 414 PL9 A C50 ? ? 1 +49353 C C50 B PL9 AN . 1.0189 1.4351 1.6878 -0.1798 0.0254 0.0041 414 PL9 A C50 ? ? 1 +49354 C C51 A PL9 AN . 0.8118 1.2141 1.4608 -0.1637 0.0220 0.0095 414 PL9 A C51 ? ? 1 +49355 C C51 B PL9 AN . 1.0374 1.4380 1.6855 -0.1639 0.0218 0.0092 414 PL9 A C51 ? ? 1 +49356 C C52 A PL9 AN . 1.0879 1.4973 1.6331 0.0178 -0.0180 0.0678 414 PL9 A C52 ? ? 1 +49357 C C52 B PL9 AN . 0.6484 1.0571 1.1930 0.0178 -0.0179 0.0679 414 PL9 A C52 ? ? 1 +49358 C C53 A PL9 AN . 1.1357 1.5099 1.6603 0.0151 -0.0124 0.0694 414 PL9 A C53 ? ? 1 +49359 C C53 B PL9 AN . 0.6974 1.0707 1.2215 0.0133 -0.0114 0.0699 414 PL9 A C53 ? ? 1 +49360 O O1 A PL9 AN . 1.0433 1.4794 1.6127 0.0101 -0.0185 0.0624 414 PL9 A O1 ? ? 1 +49361 O O1 B PL9 AN . 0.6052 1.0407 1.1740 0.0108 -0.0187 0.0624 414 PL9 A O1 ? ? 1 +49362 O O2 A PL9 AN . 1.1551 1.5306 1.6897 0.0050 -0.0094 0.0644 414 PL9 A O2 ? ? 1 +49363 O O2 B PL9 AN . 0.7118 1.0868 1.2462 0.0032 -0.0085 0.0648 414 PL9 A O2 ? ? 1 +49364 O O6 . SQD AO . 0.9753 1.5190 1.5114 -0.0098 0.0161 0.0711 620 SQD B O6 ? ? 1 +49365 C C44 . SQD AO . 0.9318 1.4817 1.4797 -0.0134 0.0185 0.0712 620 SQD B C44 ? ? 1 +49366 C C45 . SQD AO . 0.8820 1.4420 1.4425 -0.0141 0.0134 0.0691 620 SQD B C45 ? ? 1 +49367 C C46 . SQD AO . 0.8426 1.4018 1.4000 -0.0109 0.0060 0.0681 620 SQD B C46 ? ? 1 +49368 O O47 . SQD AO . 0.8834 1.4451 1.4508 -0.0169 0.0150 0.0700 620 SQD B O47 ? ? 1 +49369 C C7 . SQD AO . 0.8120 1.3823 1.3916 -0.0186 0.0127 0.0686 620 SQD B C7 ? ? 1 +49370 O O49 . SQD AO . 0.8677 1.4381 1.4514 -0.0206 0.0136 0.0694 620 SQD B O49 ? ? 1 +49371 C C8 . SQD AO . 0.7284 1.3076 1.3164 -0.0183 0.0091 0.0660 620 SQD B C8 ? ? 1 +49372 C C9 . SQD AO . 0.6727 1.2563 1.2670 -0.0180 0.0036 0.0650 620 SQD B C9 ? ? 1 +49373 C C10 . SQD AO . 0.6239 1.2162 1.2312 -0.0209 0.0041 0.0638 620 SQD B C10 ? ? 1 +49374 C C11 . SQD AO . 0.5927 1.1924 1.2071 -0.0203 -0.0004 0.0615 620 SQD B C11 ? ? 1 +49375 C C12 . SQD AO . 0.5783 1.1860 1.2031 -0.0226 0.0014 0.0602 620 SQD B C12 ? ? 1 +49376 C C13 . SQD AO . 0.5727 1.1868 1.2046 -0.0224 -0.0030 0.0582 620 SQD B C13 ? ? 1 +49377 C C14 . SQD AO . 0.5646 1.1861 1.2068 -0.0246 -0.0016 0.0571 620 SQD B C14 ? ? 1 +49378 C C15 . SQD AO . 0.5870 1.2103 1.2305 -0.0254 0.0029 0.0570 620 SQD B C15 ? ? 1 +49379 C C16 . SQD AO . 0.5850 1.2160 1.2386 -0.0271 0.0036 0.0557 620 SQD B C16 ? ? 1 +49380 C C17 . SQD AO . 0.5893 1.2224 1.2450 -0.0280 0.0085 0.0556 620 SQD B C17 ? ? 1 +49381 C C18 . SQD AO . 0.5827 1.2236 1.2487 -0.0295 0.0090 0.0543 620 SQD B C18 ? ? 1 +49382 C C19 . SQD AO . 0.5695 1.2131 1.2392 -0.0311 0.0142 0.0544 620 SQD B C19 ? ? 1 +49383 C C20 . SQD AO . 0.5527 1.2043 1.2331 -0.0326 0.0143 0.0530 620 SQD B C20 ? ? 1 +49384 C C21 . SQD AO . 0.5330 1.1880 1.2181 -0.0346 0.0194 0.0529 620 SQD B C21 ? ? 1 +49385 C C22 . SQD AO . 0.5352 1.1915 1.2189 -0.0330 0.0225 0.0523 620 SQD B C22 ? ? 1 +49386 O O48 . SQD AO . 0.7877 1.3551 1.3525 -0.0107 0.0025 0.0655 620 SQD B O48 ? ? 1 +49387 C C23 . SQD AO . 0.7587 1.3256 1.3204 -0.0080 -0.0035 0.0642 620 SQD B C23 ? ? 1 +49388 O O10 . SQD AO . 0.8459 1.4062 1.3988 -0.0054 -0.0061 0.0652 620 SQD B O10 ? ? 1 +49389 C C24 . SQD AO . 0.7088 1.2841 1.2789 -0.0084 -0.0068 0.0615 620 SQD B C24 ? ? 1 +49390 C C25 . SQD AO . 0.6688 1.2518 1.2510 -0.0103 -0.0089 0.0606 620 SQD B C25 ? ? 1 +49391 C C26 . SQD AO . 0.6676 1.2581 1.2574 -0.0107 -0.0120 0.0580 620 SQD B C26 ? ? 1 +49392 C C27 . SQD AO . 0.6782 1.2758 1.2788 -0.0136 -0.0092 0.0575 620 SQD B C27 ? ? 1 +49393 C C28 . SQD AO . 0.6709 1.2751 1.2787 -0.0141 -0.0120 0.0551 620 SQD B C28 ? ? 1 +49394 C C29 . SQD AO . 0.6952 1.3056 1.3125 -0.0165 -0.0091 0.0547 620 SQD B C29 ? ? 1 +49395 C C30 . SQD AO . 0.6921 1.3077 1.3149 -0.0168 -0.0107 0.0526 620 SQD B C30 ? ? 1 +49396 C C31 . SQD AO . 0.6763 1.2978 1.3081 -0.0188 -0.0079 0.0523 620 SQD B C31 ? ? 1 +49397 C C32 . SQD AO . 0.6785 1.3056 1.3177 -0.0195 -0.0106 0.0506 620 SQD B C32 ? ? 1 +49398 C C33 . SQD AO . 0.7131 1.3404 1.3525 -0.0191 -0.0155 0.0497 620 SQD B C33 ? ? 1 +49399 C C34 . SQD AO . 0.7355 1.3683 1.3831 -0.0204 -0.0175 0.0484 620 SQD B C34 ? ? 1 +49400 C C35 . SQD AO . 0.7505 1.3842 1.3996 -0.0204 -0.0217 0.0478 620 SQD B C35 ? ? 1 +49401 C C36 . SQD AO . 0.7670 1.4054 1.4243 -0.0220 -0.0223 0.0475 620 SQD B C36 ? ? 1 +49402 C C37 . SQD AO . 0.8118 1.4502 1.4702 -0.0220 -0.0243 0.0481 620 SQD B C37 ? ? 1 +49403 C C38 . SQD AO . 0.8244 1.4600 1.4808 -0.0220 -0.0218 0.0500 620 SQD B C38 ? ? 1 +49404 C C1 . SQD AO . 0.9662 1.5018 1.4922 -0.0069 0.0124 0.0724 620 SQD B C1 ? ? 1 +49405 C C2 . SQD AO . 0.9557 1.4833 1.4675 -0.0033 0.0115 0.0725 620 SQD B C2 ? ? 1 +49406 O O2 . SQD AO . 0.9083 1.4418 1.4235 -0.0023 0.0083 0.0699 620 SQD B O2 ? ? 1 +49407 C C3 . SQD AO . 0.9582 1.4775 1.4595 0.0003 0.0067 0.0737 620 SQD B C3 ? ? 1 +49408 O O3 . SQD AO . 1.0144 1.5223 1.5000 0.0024 0.0097 0.0755 620 SQD B O3 ? ? 1 +49409 C C4 . SQD AO . 0.9470 1.4648 1.4513 -0.0006 0.0062 0.0753 620 SQD B C4 ? ? 1 +49410 O O4 . SQD AO . 0.9109 1.4341 1.4210 0.0012 -0.0012 0.0735 620 SQD B O4 ? ? 1 +49411 C C5 . SQD AO . 0.9518 1.4750 1.4677 -0.0054 0.0113 0.0758 620 SQD B C5 ? ? 1 +49412 C C6 . SQD AO . 0.9326 1.4471 1.4425 -0.0067 0.0161 0.0788 620 SQD B C6 ? ? 1 +49413 O O5 . SQD AO . 0.9762 1.5050 1.4980 -0.0081 0.0162 0.0749 620 SQD B O5 ? ? 1 +49414 S S . SQD AO . 0.8736 1.3945 1.3972 -0.0122 0.0209 0.0790 620 SQD B S ? ? 1 +49415 O O7 . SQD AO . 0.8494 1.3778 1.3834 -0.0123 0.0156 0.0775 620 SQD B O7 ? ? 1 +49416 O O8 . SQD AO . 0.8239 1.3328 1.3374 -0.0127 0.0251 0.0821 620 SQD B O8 ? ? 1 +49417 O O9 . SQD AO . 0.8539 1.3805 1.3836 -0.0152 0.0261 0.0782 620 SQD B O9 ? ? 1 +49418 C C1 . BCR AP . 0.6115 0.9495 1.0678 0.1752 0.0823 -0.0710 515 BCR C C1 ? ? 1 +49419 C C2 . BCR AP . 0.6185 0.9428 1.0601 0.1682 0.0809 -0.0719 515 BCR C C2 ? ? 1 +49420 C C3 . BCR AP . 0.6145 0.9311 1.0526 0.1608 0.0736 -0.0695 515 BCR C C3 ? ? 1 +49421 C C4 . BCR AP . 0.6228 0.9275 1.0569 0.1647 0.0698 -0.0692 515 BCR C C4 ? ? 1 +49422 C C5 . BCR AP . 0.6206 0.9349 1.0657 0.1732 0.0716 -0.0688 515 BCR C C5 ? ? 1 +49423 C C6 . BCR AP . 0.6157 0.9456 1.0713 0.1781 0.0771 -0.0696 515 BCR C C6 ? ? 1 +49424 C C7 . BCR AP . 0.6152 0.9549 1.0818 0.1866 0.0786 -0.0696 515 BCR C C7 ? ? 1 +49425 C C8 . BCR AP . 0.6115 0.9552 1.0860 0.1885 0.0743 -0.0672 515 BCR C C8 ? ? 1 +49426 C C9 . BCR AP . 0.6146 0.9669 1.0987 0.1975 0.0755 -0.0675 515 BCR C C9 ? ? 1 +49427 C C10 . BCR AP . 0.6044 0.9667 1.1001 0.1974 0.0712 -0.0644 515 BCR C C10 ? ? 1 +49428 C C11 . BCR AP . 0.6028 0.9763 1.1101 0.2052 0.0714 -0.0643 515 BCR C C11 ? ? 1 +49429 C C33 . BCR AP . 0.6249 0.9288 1.0673 0.1757 0.0668 -0.0675 515 BCR C C33 ? ? 1 +49430 C C31 . BCR AP . 0.5911 0.9497 1.0636 0.1705 0.0823 -0.0681 515 BCR C C31 ? ? 1 +49431 C C32 . BCR AP . 0.6208 0.9614 1.0770 0.1839 0.0896 -0.0744 515 BCR C C32 ? ? 1 +49432 C C34 . BCR AP . 0.6274 0.9781 1.1096 0.2077 0.0809 -0.0711 515 BCR C C34 ? ? 1 +49433 C C12 . BCR AP . 0.5921 0.9760 1.1106 0.2045 0.0670 -0.0612 515 BCR C C12 ? ? 1 +49434 C C13 . BCR AP . 0.5886 0.9841 1.1189 0.2124 0.0663 -0.0610 515 BCR C C13 ? ? 1 +49435 C C14 . BCR AP . 0.5752 0.9796 1.1152 0.2104 0.0613 -0.0577 515 BCR C C14 ? ? 1 +49436 C C15 . BCR AP . 0.5715 0.9856 1.1218 0.2176 0.0593 -0.0571 515 BCR C C15 ? ? 1 +49437 C C16 . BCR AP . 0.5583 0.9809 1.1175 0.2161 0.0543 -0.0541 515 BCR C C16 ? ? 1 +49438 C C17 . BCR AP . 0.5556 0.9866 1.1239 0.2238 0.0519 -0.0537 515 BCR C C17 ? ? 1 +49439 C C18 . BCR AP . 0.5443 0.9846 1.1217 0.2225 0.0469 -0.0507 515 BCR C C18 ? ? 1 +49440 C C19 . BCR AP . 0.5446 0.9938 1.1310 0.2316 0.0448 -0.0510 515 BCR C C19 ? ? 1 +49441 C C20 . BCR AP . 0.5335 0.9943 1.1303 0.2316 0.0403 -0.0486 515 BCR C C20 ? ? 1 +49442 C C21 . BCR AP . 0.5362 1.0048 1.1410 0.2410 0.0379 -0.0492 515 BCR C C21 ? ? 1 +49443 C C22 . BCR AP . 0.5258 1.0081 1.1424 0.2419 0.0336 -0.0474 515 BCR C C22 ? ? 1 +49444 C C23 . BCR AP . 0.5328 1.0209 1.1555 0.2528 0.0313 -0.0485 515 BCR C C23 ? ? 1 +49445 C C24 . BCR AP . 0.5241 1.0291 1.1607 0.2551 0.0279 -0.0479 515 BCR C C24 ? ? 1 +49446 C C25 . BCR AP . 0.5307 1.0431 1.1744 0.2666 0.0251 -0.0493 515 BCR C C25 ? ? 1 +49447 C C26 . BCR AP . 0.5492 1.0462 1.1821 0.2759 0.0229 -0.0495 515 BCR C C26 ? ? 1 +49448 C C27 . BCR AP . 0.5567 1.0625 1.1977 0.2888 0.0205 -0.0515 515 BCR C C27 ? ? 1 +49449 C C28 . BCR AP . 0.5433 1.0766 1.2056 0.2909 0.0229 -0.0547 515 BCR C C28 ? ? 1 +49450 C C29 . BCR AP . 0.5238 1.0713 1.1965 0.2802 0.0220 -0.0528 515 BCR C C29 ? ? 1 +49451 C C30 . BCR AP . 0.5179 1.0573 1.1828 0.2679 0.0257 -0.0512 515 BCR C C30 ? ? 1 +49452 C C35 . BCR AP . 0.5974 0.9961 1.1302 0.2233 0.0710 -0.0645 515 BCR C C35 ? ? 1 +49453 C C36 . BCR AP . 0.5312 0.9720 1.1085 0.2113 0.0437 -0.0473 515 BCR C C36 ? ? 1 +49454 C C37 . BCR AP . 0.5070 0.9969 1.1288 0.2311 0.0315 -0.0444 515 BCR C C37 ? ? 1 +49455 C C38 . BCR AP . 0.5653 1.0351 1.1773 0.2748 0.0226 -0.0479 515 BCR C C38 ? ? 1 +49456 C C39 . BCR AP . 0.5168 1.0673 1.1893 0.2669 0.0334 -0.0549 515 BCR C C39 ? ? 1 +49457 C C40 . BCR AP . 0.5007 1.0500 1.1727 0.2578 0.0228 -0.0482 515 BCR C C40 ? ? 1 +49458 CA CA . CA AQ . 0.9480 1.3402 1.4393 -0.0577 -0.1008 -0.0785 104 CA F CA ? ? 1 +49459 C CHA A PHO AR . 0.2491 0.7965 0.7631 0.0128 0.0034 0.0264 406 PHO a CHA ? ? 1 +49460 C CHA B PHO AR . 0.2493 0.7967 0.7632 0.0128 0.0035 0.0265 406 PHO a CHA ? ? 1 +49461 C CHB A PHO AR . 0.2132 0.7796 0.7624 0.0064 -0.0031 0.0260 406 PHO a CHB ? ? 1 +49462 C CHB B PHO AR . 0.2138 0.7804 0.7632 0.0064 -0.0031 0.0260 406 PHO a CHB ? ? 1 +49463 C CHC A PHO AR . 0.2370 0.7795 0.7627 0.0057 -0.0133 0.0169 406 PHO a CHC ? ? 1 +49464 C CHC B PHO AR . 0.2373 0.7801 0.7633 0.0057 -0.0133 0.0169 406 PHO a CHC ? ? 1 +49465 C CHD A PHO AR . 0.2721 0.7968 0.7623 0.0128 -0.0097 0.0163 406 PHO a CHD ? ? 1 +49466 C CHD B PHO AR . 0.2719 0.7968 0.7624 0.0127 -0.0098 0.0164 406 PHO a CHD ? ? 1 +49467 N NA A PHO AR . 0.2327 0.7887 0.7634 0.0096 -0.0007 0.0256 406 PHO a NA ? ? 1 +49468 N NA B PHO AR . 0.2332 0.7892 0.7639 0.0096 -0.0006 0.0257 406 PHO a NA ? ? 1 +49469 C C1A A PHO AR . 0.2376 0.7927 0.7639 0.0109 0.0029 0.0272 406 PHO a C1A ? ? 1 +49470 C C1A B PHO AR . 0.2379 0.7931 0.7643 0.0109 0.0029 0.0273 406 PHO a C1A ? ? 1 +49471 C C2A A PHO AR . 0.2296 0.7925 0.7655 0.0099 0.0060 0.0298 406 PHO a C2A ? ? 1 +49472 C C2A B PHO AR . 0.2302 0.7932 0.7662 0.0099 0.0061 0.0298 406 PHO a C2A ? ? 1 +49473 C C3A A PHO AR . 0.2176 0.7864 0.7642 0.0076 0.0028 0.0296 406 PHO a C3A ? ? 1 +49474 C C3A B PHO AR . 0.2182 0.7870 0.7648 0.0075 0.0026 0.0296 406 PHO a C3A ? ? 1 +49475 C C4A A PHO AR . 0.2207 0.7846 0.7632 0.0079 -0.0005 0.0270 406 PHO a C4A ? ? 1 +49476 C C4A B PHO AR . 0.2213 0.7852 0.7638 0.0078 -0.0005 0.0270 406 PHO a C4A ? ? 1 +49477 C CMA A PHO AR . 0.2109 0.7833 0.7623 0.0048 -0.0009 0.0307 406 PHO a CMA ? ? 1 +49478 C CMA B PHO AR . 0.2123 0.7841 0.7627 0.0048 -0.0013 0.0307 406 PHO a CMA ? ? 1 +49479 C CAA A PHO AR . 0.2323 0.7975 0.7700 0.0120 0.0126 0.0306 406 PHO a CAA ? ? 1 +49480 C CAA B PHO AR . 0.2328 0.7983 0.7710 0.0120 0.0125 0.0305 406 PHO a CAA ? ? 1 +49481 C CBA A PHO AR . 0.2249 0.7981 0.7726 0.0106 0.0155 0.0329 406 PHO a CBA ? ? 1 +49482 C CBA B PHO AR . 0.2263 0.7995 0.7739 0.0107 0.0157 0.0329 406 PHO a CBA ? ? 1 +49483 C CGA A PHO AR . 0.2247 0.8025 0.7780 0.0124 0.0210 0.0330 406 PHO a CGA ? ? 1 +49484 C CGA B PHO AR . 0.2275 0.8048 0.7799 0.0125 0.0216 0.0331 406 PHO a CGA ? ? 1 +49485 O O1A A PHO AR . 0.2289 0.8049 0.7800 0.0148 0.0227 0.0315 406 PHO a O1A ? ? 1 +49486 O O1A B PHO AR . 0.2332 0.8080 0.7820 0.0151 0.0239 0.0317 406 PHO a O1A ? ? 1 +49487 O O2A A PHO AR . 0.2207 0.8050 0.7818 0.0109 0.0239 0.0349 406 PHO a O2A ? ? 1 +49488 O O2A B PHO AR . 0.2231 0.8074 0.7842 0.0109 0.0240 0.0350 406 PHO a O2A ? ? 1 +49489 N NB A PHO AR . 0.2262 0.7799 0.7615 0.0068 -0.0080 0.0216 406 PHO a NB ? ? 1 +49490 N NB B PHO AR . 0.2268 0.7807 0.7623 0.0067 -0.0079 0.0217 406 PHO a NB ? ? 1 +49491 C C1B A PHO AR . 0.2159 0.7776 0.7618 0.0060 -0.0063 0.0236 406 PHO a C1B ? ? 1 +49492 C C1B B PHO AR . 0.2168 0.7787 0.7629 0.0059 -0.0062 0.0237 406 PHO a C1B ? ? 1 +49493 C C2B A PHO AR . 0.2098 0.7733 0.7618 0.0045 -0.0082 0.0228 406 PHO a C2B ? ? 1 +49494 C C2B B PHO AR . 0.2107 0.7745 0.7631 0.0045 -0.0082 0.0229 406 PHO a C2B ? ? 1 +49495 C C3B A PHO AR . 0.2171 0.7735 0.7623 0.0042 -0.0110 0.0203 406 PHO a C3B ? ? 1 +49496 C C3B B PHO AR . 0.2178 0.7745 0.7634 0.0041 -0.0110 0.0204 406 PHO a C3B ? ? 1 +49497 C C4B A PHO AR . 0.2271 0.7777 0.7620 0.0056 -0.0109 0.0195 406 PHO a C4B ? ? 1 +49498 C C4B B PHO AR . 0.2277 0.7785 0.7629 0.0056 -0.0109 0.0195 406 PHO a C4B ? ? 1 +49499 C CMB A PHO AR . 0.1985 0.7697 0.7619 0.0034 -0.0075 0.0243 406 PHO a CMB ? ? 1 +49500 C CMB B PHO AR . 0.2002 0.7716 0.7639 0.0034 -0.0076 0.0244 406 PHO a CMB ? ? 1 +49501 C CAB A PHO AR . 0.2158 0.7703 0.7630 0.0027 -0.0133 0.0187 406 PHO a CAB ? ? 1 +49502 C CAB B PHO AR . 0.2170 0.7714 0.7642 0.0027 -0.0133 0.0187 406 PHO a CAB ? ? 1 +49503 C CBB A PHO AR . 0.2082 0.7668 0.7634 0.0021 -0.0128 0.0194 406 PHO a CBB ? ? 1 +49504 C CBB B PHO AR . 0.2107 0.7682 0.7648 0.0025 -0.0125 0.0192 406 PHO a CBB ? ? 1 +49505 N NC A PHO AR . 0.2515 0.7876 0.7620 0.0092 -0.0108 0.0173 406 PHO a NC ? ? 1 +49506 N NC B PHO AR . 0.2513 0.7877 0.7621 0.0092 -0.0108 0.0174 406 PHO a NC ? ? 1 +49507 C C1C A PHO AR . 0.2478 0.7839 0.7626 0.0073 -0.0136 0.0158 406 PHO a C1C ? ? 1 +49508 C C1C B PHO AR . 0.2478 0.7842 0.7629 0.0072 -0.0135 0.0158 406 PHO a C1C ? ? 1 +49509 C C2C A PHO AR . 0.2578 0.7857 0.7635 0.0069 -0.0168 0.0127 406 PHO a C2C ? ? 1 +49510 C C2C B PHO AR . 0.2578 0.7860 0.7638 0.0069 -0.0168 0.0128 406 PHO a C2C ? ? 1 +49511 C C3C A PHO AR . 0.2678 0.7908 0.7635 0.0090 -0.0161 0.0125 406 PHO a C3C ? ? 1 +49512 C C3C B PHO AR . 0.2676 0.7910 0.7637 0.0089 -0.0162 0.0125 406 PHO a C3C ? ? 1 +49513 C C4C A PHO AR . 0.2639 0.7918 0.7625 0.0105 -0.0121 0.0155 406 PHO a C4C ? ? 1 +49514 C C4C B PHO AR . 0.2637 0.7920 0.7627 0.0104 -0.0121 0.0155 406 PHO a C4C ? ? 1 +49515 C CMC A PHO AR . 0.2577 0.7829 0.7648 0.0045 -0.0201 0.0104 406 PHO a CMC ? ? 1 +49516 C CMC B PHO AR . 0.2576 0.7831 0.7650 0.0045 -0.0201 0.0104 406 PHO a CMC ? ? 1 +49517 C CAC A PHO AR . 0.2810 0.7949 0.7645 0.0096 -0.0188 0.0096 406 PHO a CAC ? ? 1 +49518 C CAC B PHO AR . 0.2807 0.7951 0.7647 0.0094 -0.0192 0.0097 406 PHO a CAC ? ? 1 +49519 C CBC A PHO AR . 0.2918 0.7989 0.7658 0.0135 -0.0144 0.0090 406 PHO a CBC ? ? 1 +49520 C CBC B PHO AR . 0.2920 0.7993 0.7663 0.0131 -0.0150 0.0089 406 PHO a CBC ? ? 1 +49521 N ND A PHO AR . 0.2574 0.7949 0.7622 0.0124 -0.0041 0.0213 406 PHO a ND ? ? 1 +49522 N ND B PHO AR . 0.2572 0.7949 0.7622 0.0124 -0.0041 0.0214 406 PHO a ND ? ? 1 +49523 C C1D A PHO AR . 0.2693 0.7983 0.7621 0.0138 -0.0057 0.0192 406 PHO a C1D ? ? 1 +49524 C C1D B PHO AR . 0.2692 0.7982 0.7620 0.0137 -0.0058 0.0192 406 PHO a C1D ? ? 1 +49525 C C2D A PHO AR . 0.2778 0.8032 0.7621 0.0159 -0.0026 0.0204 406 PHO a C2D ? ? 1 +49526 C C2D B PHO AR . 0.2778 0.8032 0.7621 0.0159 -0.0026 0.0204 406 PHO a C2D ? ? 1 +49527 C C3D A PHO AR . 0.2701 0.8025 0.7623 0.0156 0.0013 0.0234 406 PHO a C3D ? ? 1 +49528 C C3D B PHO AR . 0.2700 0.8024 0.7622 0.0156 0.0013 0.0234 406 PHO a C3D ? ? 1 +49529 C C4D A PHO AR . 0.2576 0.7974 0.7624 0.0135 0.0000 0.0237 406 PHO a C4D ? ? 1 +49530 C C4D B PHO AR . 0.2576 0.7975 0.7624 0.0135 0.0001 0.0238 406 PHO a C4D ? ? 1 +49531 C CMD A PHO AR . 0.2925 0.8083 0.7621 0.0181 -0.0033 0.0188 406 PHO a CMD ? ? 1 +49532 C CMD B PHO AR . 0.2924 0.8082 0.7620 0.0181 -0.0032 0.0188 406 PHO a CMD ? ? 1 +49533 C CAD A PHO AR . 0.2708 0.8052 0.7629 0.0164 0.0060 0.0261 406 PHO a CAD ? ? 1 +49534 C CAD B PHO AR . 0.2709 0.8053 0.7630 0.0164 0.0061 0.0261 406 PHO a CAD ? ? 1 +49535 O OBD A PHO AR . 0.2807 0.8099 0.7632 0.0180 0.0082 0.0268 406 PHO a OBD ? ? 1 +49536 O OBD B PHO AR . 0.2811 0.8102 0.7634 0.0182 0.0085 0.0268 406 PHO a OBD ? ? 1 +49537 C CBD A PHO AR . 0.2571 0.8015 0.7636 0.0145 0.0078 0.0281 406 PHO a CBD ? ? 1 +49538 C CBD B PHO AR . 0.2572 0.8015 0.7636 0.0145 0.0078 0.0281 406 PHO a CBD ? ? 1 +49539 C CGD A PHO AR . 0.2535 0.8009 0.7626 0.0129 0.0074 0.0305 406 PHO a CGD ? ? 1 +49540 C CGD B PHO AR . 0.2545 0.8013 0.7626 0.0130 0.0074 0.0305 406 PHO a CGD ? ? 1 +49541 O O1D A PHO AR . 0.2516 0.8022 0.7638 0.0129 0.0119 0.0326 406 PHO a O1D ? ? 1 +49542 O O1D B PHO AR . 0.2543 0.8031 0.7637 0.0133 0.0120 0.0327 406 PHO a O1D ? ? 1 +49543 O O2D A PHO AR . 0.2531 0.7992 0.7607 0.0113 0.0014 0.0299 406 PHO a O2D ? ? 1 +49544 O O2D B PHO AR . 0.2525 0.7990 0.7608 0.0112 0.0013 0.0300 406 PHO a O2D ? ? 1 +49545 C CED A PHO AR . 0.2501 0.7985 0.7596 0.0100 0.0005 0.0322 406 PHO a CED ? ? 1 +49546 C CED B PHO AR . 0.2501 0.7986 0.7597 0.0099 0.0003 0.0322 406 PHO a CED ? ? 1 +49547 C C1 A PHO AR . 0.2196 0.8098 0.7879 0.0123 0.0289 0.0349 406 PHO a C1 ? ? 1 +49548 C C1 B PHO AR . 0.2224 0.8129 0.7908 0.0122 0.0292 0.0351 406 PHO a C1 ? ? 1 +49549 C C2 A PHO AR . 0.2090 0.8073 0.7898 0.0109 0.0269 0.0350 406 PHO a C2 ? ? 1 +49550 C C2 B PHO AR . 0.2123 0.8109 0.7933 0.0108 0.0273 0.0351 406 PHO a C2 ? ? 1 +49551 C C3 A PHO AR . 0.2027 0.8055 0.7902 0.0080 0.0251 0.0364 406 PHO a C3 ? ? 1 +49552 C C3 B PHO AR . 0.2062 0.8094 0.7942 0.0078 0.0253 0.0365 406 PHO a C3 ? ? 1 +49553 C C4 A PHO AR . 0.2043 0.8048 0.7879 0.0059 0.0252 0.0383 406 PHO a C4 ? ? 1 +49554 C C4 B PHO AR . 0.2073 0.8085 0.7919 0.0057 0.0253 0.0384 406 PHO a C4 ? ? 1 +49555 C C5 A PHO AR . 0.1930 0.8029 0.7918 0.0067 0.0226 0.0363 406 PHO a C5 ? ? 1 +49556 C C5 B PHO AR . 0.1972 0.8074 0.7963 0.0067 0.0227 0.0363 406 PHO a C5 ? ? 1 +49557 C C6 A PHO AR . 0.1928 0.8051 0.7954 0.0092 0.0233 0.0346 406 PHO a C6 ? ? 1 +49558 C C6 B PHO AR . 0.1973 0.8096 0.7999 0.0092 0.0232 0.0346 406 PHO a C6 ? ? 1 +49559 C C7 A PHO AR . 0.1834 0.8021 0.7963 0.0082 0.0205 0.0345 406 PHO a C7 ? ? 1 +49560 C C7 B PHO AR . 0.1878 0.8063 0.8006 0.0081 0.0203 0.0345 406 PHO a C7 ? ? 1 +49561 C C8 A PHO AR . 0.1835 0.8038 0.7995 0.0110 0.0204 0.0329 406 PHO a C8 ? ? 1 +49562 C C8 B PHO AR . 0.1877 0.8083 0.8041 0.0110 0.0205 0.0329 406 PHO a C8 ? ? 1 +49563 C C9 A PHO AR . 0.1839 0.8103 0.8056 0.0133 0.0254 0.0327 406 PHO a C9 ? ? 1 +49564 C C9 B PHO AR . 0.1878 0.8147 0.8100 0.0130 0.0256 0.0328 406 PHO a C9 ? ? 1 +49565 C C10 A PHO AR . 0.1758 0.7990 0.7982 0.0097 0.0161 0.0328 406 PHO a C10 ? ? 1 +49566 C C10 B PHO AR . 0.1798 0.8034 0.8028 0.0098 0.0163 0.0328 406 PHO a C10 ? ? 1 +49567 C C11 A PHO AR . 0.1760 0.8005 0.8014 0.0126 0.0157 0.0314 406 PHO a C11 ? ? 1 +49568 C C11 B PHO AR . 0.1802 0.8051 0.8061 0.0127 0.0159 0.0314 406 PHO a C11 ? ? 1 +49569 C C12 A PHO AR . 0.1854 0.8023 0.8019 0.0156 0.0160 0.0298 406 PHO a C12 ? ? 1 +49570 C C12 B PHO AR . 0.1895 0.8068 0.8066 0.0156 0.0159 0.0298 406 PHO a C12 ? ? 1 +49571 C C13 A PHO AR . 0.1892 0.7977 0.7974 0.0141 0.0120 0.0292 406 PHO a C13 ? ? 1 +49572 C C13 B PHO AR . 0.1935 0.8024 0.8022 0.0140 0.0120 0.0293 406 PHO a C13 ? ? 1 +49573 C C14 A PHO AR . 0.1992 0.7999 0.7983 0.0171 0.0126 0.0275 406 PHO a C14 ? ? 1 +49574 C C14 B PHO AR . 0.2038 0.8047 0.8029 0.0169 0.0128 0.0276 406 PHO a C14 ? ? 1 +49575 C C15 A PHO AR . 0.1827 0.7921 0.7953 0.0121 0.0077 0.0293 406 PHO a C15 ? ? 1 +49576 C C15 B PHO AR . 0.1873 0.7968 0.8000 0.0122 0.0077 0.0293 406 PHO a C15 ? ? 1 +49577 C C16 A PHO AR . 0.1858 0.7877 0.7916 0.0104 0.0039 0.0284 406 PHO a C16 ? ? 1 +49578 C C16 B PHO AR . 0.1911 0.7927 0.7966 0.0107 0.0040 0.0283 406 PHO a C16 ? ? 1 +49579 C C17 A PHO AR . 0.1800 0.7827 0.7900 0.0084 0.0003 0.0285 406 PHO a C17 ? ? 1 +49580 C C17 B PHO AR . 0.1851 0.7878 0.7950 0.0084 0.0004 0.0285 406 PHO a C17 ? ? 1 +49581 C C18 A PHO AR . 0.1834 0.7792 0.7873 0.0061 -0.0032 0.0275 406 PHO a C18 ? ? 1 +49582 C C18 B PHO AR . 0.1889 0.7846 0.7927 0.0061 -0.0032 0.0275 406 PHO a C18 ? ? 1 +49583 C C19 A PHO AR . 0.1926 0.7804 0.7888 0.0084 -0.0031 0.0257 406 PHO a C19 ? ? 1 +49584 C C19 B PHO AR . 0.1982 0.7860 0.7945 0.0084 -0.0032 0.0257 406 PHO a C19 ? ? 1 +49585 C C20 A PHO AR . 0.1763 0.7742 0.7856 0.0034 -0.0063 0.0279 406 PHO a C20 ? ? 1 +49586 C C20 B PHO AR . 0.1814 0.7794 0.7906 0.0033 -0.0063 0.0280 406 PHO a C20 ? ? 1 +49587 MG MG . CLA AS . 0.1939 0.8795 0.8763 -0.0018 -0.0935 0.0159 614 CLA b MG ? ? 1 +49588 C CHA . CLA AS . 0.2113 0.8833 0.8741 0.0106 -0.0978 0.0212 614 CLA b CHA ? ? 1 +49589 C CHB . CLA AS . 0.1875 0.8944 0.8925 0.0011 -0.1009 0.0097 614 CLA b CHB ? ? 1 +49590 C CHC . CLA AS . 0.1689 0.8641 0.8705 -0.0139 -0.0844 0.0139 614 CLA b CHC ? ? 1 +49591 C CHD . CLA AS . 0.1928 0.8591 0.8575 -0.0046 -0.0819 0.0237 614 CLA b CHD ? ? 1 +49592 N NA . CLA AS . 0.1997 0.8888 0.8836 0.0047 -0.0987 0.0155 614 CLA b NA ? ? 1 +49593 C C1A . CLA AS . 0.2081 0.8911 0.8833 0.0094 -0.1003 0.0176 614 CLA b C1A ? ? 1 +49594 C C2A . CLA AS . 0.2173 0.9047 0.8951 0.0141 -0.1055 0.0160 614 CLA b C2A ? ? 1 +49595 C C3A . CLA AS . 0.2080 0.9070 0.8991 0.0110 -0.1070 0.0119 614 CLA b C3A ? ? 1 +49596 C C4A . CLA AS . 0.1974 0.8959 0.8912 0.0051 -0.1018 0.0124 614 CLA b C4A ? ? 1 +49597 C CMA . CLA AS . 0.2129 0.9164 0.9047 0.0121 -0.1133 0.0080 614 CLA b CMA ? ? 1 +49598 C CAA . CLA AS . 0.2252 0.9096 0.9018 0.0173 -0.1038 0.0188 614 CLA b CAA ? ? 1 +49599 C CBA . CLA AS . 0.2260 0.9124 0.9096 0.0136 -0.0980 0.0203 614 CLA b CBA ? ? 1 +49600 C CGA . CLA AS . 0.2440 0.9219 0.9206 0.0111 -0.0925 0.0238 614 CLA b CGA ? ? 1 +49601 O O1A . CLA AS . 0.2493 0.9182 0.9155 0.0132 -0.0915 0.0267 614 CLA b O1A ? ? 1 +49602 O O2A . CLA AS . 0.2620 0.9424 0.9445 0.0058 -0.0879 0.0238 614 CLA b O2A ? ? 1 +49603 N NB . CLA AS . 0.1806 0.8790 0.8805 -0.0060 -0.0925 0.0127 614 CLA b NB ? ? 1 +49604 C C1B . CLA AS . 0.1799 0.8867 0.8880 -0.0045 -0.0960 0.0100 614 CLA b C1B ? ? 1 +49605 C C2B . CLA AS . 0.1704 0.8857 0.8907 -0.0084 -0.0942 0.0076 614 CLA b C2B ? ? 1 +49606 C C3B . CLA AS . 0.1661 0.8770 0.8844 -0.0128 -0.0893 0.0092 614 CLA b C3B ? ? 1 +49607 C C4B . CLA AS . 0.1722 0.8734 0.8784 -0.0109 -0.0889 0.0119 614 CLA b C4B ? ? 1 +49608 C CMB . CLA AS . 0.1693 0.8950 0.9008 -0.0079 -0.0966 0.0046 614 CLA b CMB ? ? 1 +49609 C CAB . CLA AS . 0.1604 0.8748 0.8859 -0.0180 -0.0855 0.0081 614 CLA b CAB ? ? 1 +49610 C CBB . CLA AS . 0.1579 0.8806 0.8933 -0.0205 -0.0863 0.0048 614 CLA b CBB ? ? 1 +49611 N NC . CLA AS . 0.1832 0.8650 0.8664 -0.0076 -0.0855 0.0183 614 CLA b NC ? ? 1 +49612 C C1C . CLA AS . 0.1736 0.8598 0.8645 -0.0121 -0.0828 0.0170 614 CLA b C1C ? ? 1 +49613 C C2C . CLA AS . 0.1692 0.8507 0.8576 -0.0149 -0.0777 0.0192 614 CLA b C2C ? ? 1 +49614 C C3C . CLA AS . 0.1778 0.8515 0.8560 -0.0122 -0.0770 0.0219 614 CLA b C3C ? ? 1 +49615 C C4C . CLA AS . 0.1841 0.8583 0.8596 -0.0081 -0.0818 0.0211 614 CLA b C4C ? ? 1 +49616 C CMC . CLA AS . 0.1609 0.8446 0.8553 -0.0194 -0.0739 0.0187 614 CLA b CMC ? ? 1 +49617 C CAC . CLA AS . 0.1829 0.8497 0.8549 -0.0131 -0.0726 0.0247 614 CLA b CAC ? ? 1 +49618 C CBC . CLA AS . 0.1800 0.8456 0.8532 -0.0126 -0.0691 0.0275 614 CLA b CBC ? ? 1 +49619 N ND . CLA AS . 0.1958 0.8690 0.8649 0.0015 -0.0897 0.0214 614 CLA b ND ? ? 1 +49620 C C1D . CLA AS . 0.2000 0.8654 0.8611 0.0000 -0.0859 0.0238 614 CLA b C1D ? ? 1 +49621 C C2D . CLA AS . 0.2087 0.8652 0.8583 0.0037 -0.0856 0.0267 614 CLA b C2D ? ? 1 +49622 C C3D . CLA AS . 0.2107 0.8698 0.8609 0.0079 -0.0906 0.0256 614 CLA b C3D ? ? 1 +49623 C C4D . CLA AS . 0.2046 0.8732 0.8657 0.0064 -0.0929 0.0225 614 CLA b C4D ? ? 1 +49624 C CMD . CLA AS . 0.2129 0.8601 0.8522 0.0040 -0.0819 0.0299 614 CLA b CMD ? ? 1 +49625 C CAD . CLA AS . 0.2214 0.8761 0.8641 0.0133 -0.0941 0.0267 614 CLA b CAD ? ? 1 +49626 O OBD . CLA AS . 0.2277 0.8730 0.8590 0.0159 -0.0930 0.0295 614 CLA b OBD ? ? 1 +49627 C CBD . CLA AS . 0.2203 0.8833 0.8710 0.0155 -0.0991 0.0238 614 CLA b CBD ? ? 1 +49628 C CGD . CLA AS . 0.2292 0.8907 0.8734 0.0196 -0.1051 0.0221 614 CLA b CGD ? ? 1 +49629 O O1D . CLA AS . 0.2414 0.9068 0.8882 0.0232 -0.1095 0.0206 614 CLA b O1D ? ? 1 +49630 O O2D . CLA AS . 0.2370 0.8923 0.8710 0.0200 -0.1064 0.0220 614 CLA b O2D ? ? 1 +49631 C CED . CLA AS . 0.2481 0.8994 0.8730 0.0250 -0.1119 0.0213 614 CLA b CED ? ? 1 +49632 C C1 . CLA AS . 0.2883 0.9617 0.9649 0.0035 -0.0833 0.0266 614 CLA b C1 ? ? 1 +49633 C C2 . CLA AS . 0.3018 0.9786 0.9862 -0.0001 -0.0789 0.0271 614 CLA b C2 ? ? 1 +49634 C C3 . CLA AS . 0.3361 1.0152 1.0245 -0.0044 -0.0765 0.0262 614 CLA b C3 ? ? 1 +49635 C C4 . CLA AS . 0.3347 1.0129 1.0199 -0.0060 -0.0778 0.0246 614 CLA b C4 ? ? 1 +49636 C C5 . CLA AS . 0.3985 1.0802 1.0936 -0.0074 -0.0723 0.0268 614 CLA b C5 ? ? 1 +49637 C C6 . CLA AS . 0.4622 1.1445 1.1593 -0.0119 -0.0696 0.0262 614 CLA b C6 ? ? 1 +49638 C C7 . CLA AS . 0.5298 1.2126 1.2311 -0.0143 -0.0652 0.0275 614 CLA b C7 ? ? 1 +49639 C C8 . CLA AS . 0.6667 1.3481 1.3680 -0.0181 -0.0620 0.0277 614 CLA b C8 ? ? 1 +49640 C C9 . CLA AS . 0.7227 1.4005 1.4184 -0.0190 -0.0624 0.0273 614 CLA b C9 ? ? 1 +49641 C C10 . CLA AS . 0.7545 1.4385 1.4619 -0.0209 -0.0586 0.0278 614 CLA b C10 ? ? 1 +49642 C C11 . CLA AS . 0.8323 1.5209 1.5459 -0.0200 -0.0589 0.0273 614 CLA b C11 ? ? 1 +49643 C C12 . CLA AS . 0.9020 1.5961 1.6234 -0.0231 -0.0576 0.0252 614 CLA b C12 ? ? 1 +49644 C C13 . CLA AS . 0.8924 1.5874 1.6174 -0.0234 -0.0548 0.0263 614 CLA b C13 ? ? 1 +49645 C C14 . CLA AS . 0.8725 1.5746 1.6059 -0.0246 -0.0551 0.0238 614 CLA b C14 ? ? 1 +49646 C C15 . CLA AS . 0.8862 1.5769 1.6086 -0.0257 -0.0511 0.0282 614 CLA b C15 ? ? 1 +49647 C C16 . CLA AS . 0.8942 1.5819 1.6130 -0.0279 -0.0501 0.0282 614 CLA b C16 ? ? 1 +49648 C C17 . CLA AS . 0.9345 1.6178 1.6504 -0.0287 -0.0468 0.0305 614 CLA b C17 ? ? 1 +49649 C C18 . CLA AS . 0.9001 1.5810 1.6143 -0.0312 -0.0447 0.0306 614 CLA b C18 ? ? 1 +49650 C C19 . CLA AS . 0.9040 1.5814 1.6128 -0.0312 -0.0453 0.0307 614 CLA b C19 ? ? 1 +49651 C C20 . CLA AS . 0.8637 1.5454 1.5812 -0.0335 -0.0420 0.0305 614 CLA b C20 ? ? 1 +49652 MG MG . CLA AT . 0.6293 0.9562 0.8818 0.0972 0.0524 -0.0318 511 CLA c MG ? ? 1 +49653 C CHA . CLA AT . 0.6403 0.9577 0.8758 0.0860 0.0376 -0.0332 511 CLA c CHA ? ? 1 +49654 C CHB . CLA AT . 0.5985 0.9572 0.8786 0.0943 0.0599 -0.0230 511 CLA c CHB ? ? 1 +49655 C CHC . CLA AT . 0.6135 0.9532 0.8900 0.1070 0.0620 -0.0307 511 CLA c CHC ? ? 1 +49656 C CHD . CLA AT . 0.6576 0.9513 0.8870 0.0962 0.0413 -0.0411 511 CLA c CHD ? ? 1 +49657 N NA . CLA AT . 0.6200 0.9567 0.8779 0.0909 0.0490 -0.0284 511 CLA c NA ? ? 1 +49658 C C1A . CLA AT . 0.6270 0.9580 0.8758 0.0876 0.0439 -0.0293 511 CLA c C1A ? ? 1 +49659 C C2A . CLA AT . 0.6216 0.9605 0.8738 0.0854 0.0445 -0.0262 511 CLA c C2A ? ? 1 +49660 C C3A . CLA AT . 0.6065 0.9589 0.8745 0.0870 0.0507 -0.0229 511 CLA c C3A ? ? 1 +49661 C C4A . CLA AT . 0.6077 0.9572 0.8771 0.0909 0.0533 -0.0248 511 CLA c C4A ? ? 1 +49662 C CMA . CLA AT . 0.5869 0.9518 0.8714 0.0820 0.0470 -0.0201 511 CLA c CMA ? ? 1 +49663 C CAA . CLA AT . 0.6423 0.9726 0.8777 0.0882 0.0476 -0.0269 511 CLA c CAA ? ? 1 +49664 C CBA . CLA AT . 0.6423 0.9792 0.8792 0.0870 0.0498 -0.0235 511 CLA c CBA ? ? 1 +49665 C CGA . CLA AT . 0.6457 0.9838 0.8832 0.0817 0.0417 -0.0230 511 CLA c CGA ? ? 1 +49666 O O1A . CLA AT . 0.6575 0.9875 0.8816 0.0812 0.0384 -0.0242 511 CLA c O1A ? ? 1 +49667 O O2A . CLA AT . 0.6405 0.9897 0.8948 0.0771 0.0375 -0.0211 511 CLA c O2A ? ? 1 +49668 N NB . CLA AT . 0.6082 0.9549 0.8838 0.0997 0.0594 -0.0276 511 CLA c NB ? ? 1 +49669 C C1B . CLA AT . 0.5974 0.9559 0.8819 0.0985 0.0626 -0.0243 511 CLA c C1B ? ? 1 +49670 C C2B . CLA AT . 0.5817 0.9537 0.8821 0.1010 0.0680 -0.0220 511 CLA c C2B ? ? 1 +49671 C C3B . CLA AT . 0.5867 0.9532 0.8861 0.1050 0.0683 -0.0244 511 CLA c C3B ? ? 1 +49672 C C4B . CLA AT . 0.6034 0.9539 0.8865 0.1040 0.0633 -0.0276 511 CLA c C4B ? ? 1 +49673 C CMB . CLA AT . 0.5679 0.9542 0.8808 0.0997 0.0720 -0.0185 511 CLA c CMB ? ? 1 +49674 C CAB . CLA AT . 0.5803 0.9545 0.8910 0.1096 0.0725 -0.0240 511 CLA c CAB ? ? 1 +49675 C CBB . CLA AT . 0.5694 0.9572 0.8929 0.1112 0.0779 -0.0216 511 CLA c CBB ? ? 1 +49676 N NC . CLA AT . 0.6325 0.9514 0.8856 0.1004 0.0516 -0.0348 511 CLA c NC ? ? 1 +49677 C C1C . CLA AT . 0.6275 0.9520 0.8896 0.1049 0.0563 -0.0340 511 CLA c C1C ? ? 1 +49678 C C2C . CLA AT . 0.6359 0.9509 0.8941 0.1074 0.0550 -0.0366 511 CLA c C2C ? ? 1 +49679 C C3C . CLA AT . 0.6467 0.9479 0.8910 0.1039 0.0492 -0.0397 511 CLA c C3C ? ? 1 +49680 C C4C . CLA AT . 0.6455 0.9503 0.8875 0.1003 0.0477 -0.0384 511 CLA c C4C ? ? 1 +49681 C CMC . CLA AT . 0.6337 0.9519 0.8998 0.1125 0.0586 -0.0364 511 CLA c CMC ? ? 1 +49682 C CAC . CLA AT . 0.6597 0.9461 0.8940 0.1044 0.0459 -0.0432 511 CLA c CAC ? ? 1 +49683 C CBC . CLA AT . 0.6506 0.9390 0.8941 0.0989 0.0398 -0.0428 511 CLA c CBC ? ? 1 +49684 N ND . CLA AT . 0.6443 0.9541 0.8807 0.0923 0.0421 -0.0363 511 CLA c ND ? ? 1 +49685 C C1D . CLA AT . 0.6544 0.9521 0.8832 0.0918 0.0380 -0.0399 511 CLA c C1D ? ? 1 +49686 C C2D . CLA AT . 0.6645 0.9528 0.8813 0.0877 0.0313 -0.0426 511 CLA c C2D ? ? 1 +49687 C C3D . CLA AT . 0.6573 0.9546 0.8778 0.0856 0.0312 -0.0397 511 CLA c C3D ? ? 1 +49688 C C4D . CLA AT . 0.6444 0.9543 0.8777 0.0876 0.0369 -0.0360 511 CLA c C4D ? ? 1 +49689 C CMD . CLA AT . 0.6792 0.9531 0.8836 0.0854 0.0253 -0.0470 511 CLA c CMD ? ? 1 +49690 C CAD . CLA AT . 0.6600 0.9578 0.8760 0.0817 0.0264 -0.0394 511 CLA c CAD ? ? 1 +49691 O OBD . CLA AT . 0.6693 0.9582 0.8750 0.0787 0.0199 -0.0424 511 CLA c OBD ? ? 1 +49692 C CBD . CLA AT . 0.6494 0.9597 0.8745 0.0821 0.0306 -0.0351 511 CLA c CBD ? ? 1 +49693 C CGD . CLA AT . 0.6370 0.9567 0.8737 0.0763 0.0248 -0.0332 511 CLA c CGD ? ? 1 +49694 O O1D . CLA AT . 0.6398 0.9605 0.8730 0.0741 0.0219 -0.0324 511 CLA c O1D ? ? 1 +49695 O O2D . CLA AT . 0.6266 0.9540 0.8787 0.0733 0.0226 -0.0323 511 CLA c O2D ? ? 1 +49696 C CED . CLA AT . 0.6187 0.9502 0.8778 0.0671 0.0151 -0.0323 511 CLA c CED ? ? 1 +49697 C C1 . CLA AT . 0.6506 0.9977 0.9038 0.0724 0.0286 -0.0224 511 CLA c C1 ? ? 1 +49698 C C2 . CLA AT . 0.6454 1.0011 0.9151 0.0688 0.0251 -0.0219 511 CLA c C2 ? ? 1 +49699 C C3 . CLA AT . 0.6431 1.0109 0.9272 0.0658 0.0244 -0.0187 511 CLA c C3 ? ? 1 +49700 C C4 . CLA AT . 0.6489 1.0217 0.9327 0.0657 0.0268 -0.0156 511 CLA c C4 ? ? 1 +49701 C C5 . CLA AT . 0.6335 1.0095 0.9334 0.0623 0.0211 -0.0181 511 CLA c C5 ? ? 1 +49702 C C6 . CLA AT . 0.6356 1.0132 0.9417 0.0654 0.0259 -0.0183 511 CLA c C6 ? ? 1 +49703 C C7 . CLA AT . 0.6304 1.0154 0.9509 0.0613 0.0216 -0.0177 511 CLA c C7 ? ? 1 +49704 C C8 . CLA AT . 0.6356 1.0211 0.9627 0.0629 0.0232 -0.0184 511 CLA c C8 ? ? 1 +49705 C C9 . CLA AT . 0.6251 1.0231 0.9698 0.0615 0.0240 -0.0156 511 CLA c C9 ? ? 1 +49706 C C10 . CLA AT . 0.6515 1.0245 0.9670 0.0662 0.0241 -0.0218 511 CLA c C10 ? ? 1 +49707 C C11 . CLA AT . 0.6566 1.0294 0.9708 0.0725 0.0318 -0.0215 511 CLA c C11 ? ? 1 +49708 C C12 . CLA AT . 0.6700 1.0286 0.9713 0.0748 0.0308 -0.0253 511 CLA c C12 ? ? 1 +49709 C C13 . CLA AT . 0.6794 1.0338 0.9737 0.0816 0.0380 -0.0261 511 CLA c C13 ? ? 1 +49710 C C14 . CLA AT . 0.6675 1.0342 0.9758 0.0847 0.0439 -0.0233 511 CLA c C14 ? ? 1 +49711 C C15 . CLA AT . 0.6939 1.0351 0.9783 0.0837 0.0366 -0.0297 511 CLA c C15 ? ? 1 +49712 C C16 . CLA AT . 0.6962 1.0267 0.9708 0.0790 0.0292 -0.0327 511 CLA c C16 ? ? 1 +49713 C C17 . CLA AT . 0.7090 1.0269 0.9754 0.0812 0.0286 -0.0361 511 CLA c C17 ? ? 1 +49714 C C18 . CLA AT . 0.7147 1.0221 0.9734 0.0763 0.0213 -0.0393 511 CLA c C18 ? ? 1 +49715 C C19 . CLA AT . 0.7328 1.0246 0.9784 0.0785 0.0209 -0.0433 511 CLA c C19 ? ? 1 +49716 C C20 . CLA AT . 0.7113 1.0229 0.9735 0.0694 0.0146 -0.0391 511 CLA c C20 ? ? 1 +49717 C C1 . LMG AU . 0.4265 1.1031 1.1457 -0.0282 -0.0311 0.0378 621 LMG B C1 ? ? 1 +49718 O O1 . LMG AU . 0.3950 1.0736 1.1176 -0.0301 -0.0306 0.0378 621 LMG B O1 ? ? 1 +49719 C C2 . LMG AU . 0.4181 1.0912 1.1337 -0.0281 -0.0322 0.0376 621 LMG B C2 ? ? 1 +49720 O O2 . LMG AU . 0.4519 1.1227 1.1660 -0.0296 -0.0312 0.0383 621 LMG B O2 ? ? 1 +49721 C C3 . LMG AU . 0.4057 1.0759 1.1171 -0.0261 -0.0328 0.0375 621 LMG B C3 ? ? 1 +49722 O O3 . LMG AU . 0.3629 1.0300 1.0712 -0.0259 -0.0338 0.0372 621 LMG B O3 ? ? 1 +49723 C C4 . LMG AU . 0.4557 1.1285 1.1688 -0.0239 -0.0337 0.0368 621 LMG B C4 ? ? 1 +49724 O O4 . LMG AU . 0.4611 1.1361 1.1762 -0.0233 -0.0356 0.0358 621 LMG B O4 ? ? 1 +49725 C C5 . LMG AU . 0.4578 1.1347 1.1750 -0.0242 -0.0324 0.0369 621 LMG B C5 ? ? 1 +49726 O O5 . LMG AU . 0.4662 1.1512 1.1909 -0.0228 -0.0317 0.0360 621 LMG B O5 ? ? 1 +49727 C C6 . LMG AU . 0.4581 1.1387 1.1781 -0.0220 -0.0332 0.0360 621 LMG B C6 ? ? 1 +49728 O O6 . LMG AU . 0.4460 1.1255 1.1671 -0.0265 -0.0319 0.0370 621 LMG B O6 ? ? 1 +49729 C C7 . LMG AU . 0.3879 1.0666 1.1110 -0.0312 -0.0288 0.0387 621 LMG B C7 ? ? 1 +49730 C C8 . LMG AU . 0.4031 1.0800 1.1259 -0.0329 -0.0287 0.0392 621 LMG B C8 ? ? 1 +49731 C C9 . LMG AU . 0.4200 1.0937 1.1391 -0.0328 -0.0285 0.0398 621 LMG B C9 ? ? 1 +49732 O O7 . LMG AU . 0.3726 1.0504 1.0973 -0.0343 -0.0273 0.0398 621 LMG B O7 ? ? 1 +49733 C C10 . LMG AU . 0.3468 1.0275 1.0750 -0.0348 -0.0265 0.0395 621 LMG B C10 ? ? 1 +49734 O O9 . LMG AU . 0.3677 1.0513 1.0981 -0.0340 -0.0270 0.0387 621 LMG B O9 ? ? 1 +49735 C C11 . LMG AU . 0.3265 1.0063 1.0555 -0.0367 -0.0251 0.0402 621 LMG B C11 ? ? 1 +49736 C C12 . LMG AU . 0.3074 0.9891 1.0384 -0.0374 -0.0231 0.0406 621 LMG B C12 ? ? 1 +49737 C C13 . LMG AU . 0.3028 0.9836 1.0353 -0.0396 -0.0218 0.0410 621 LMG B C13 ? ? 1 +49738 C C14 . LMG AU . 0.2904 0.9735 1.0270 -0.0410 -0.0227 0.0397 621 LMG B C14 ? ? 1 +49739 C C15 . LMG AU . 0.2844 0.9656 1.0217 -0.0434 -0.0214 0.0400 621 LMG B C15 ? ? 1 +49740 C C16 . LMG AU . 0.2809 0.9640 1.0222 -0.0451 -0.0225 0.0385 621 LMG B C16 ? ? 1 +49741 C C17 . LMG AU . 0.2808 0.9598 1.0206 -0.0467 -0.0224 0.0387 621 LMG B C17 ? ? 1 +49742 C C18 . LMG AU . 0.2945 0.9695 1.0315 -0.0477 -0.0199 0.0404 621 LMG B C18 ? ? 1 +49743 C C19 . LMG AU . 0.3045 0.9750 1.0402 -0.0494 -0.0196 0.0405 621 LMG B C19 ? ? 1 +49744 C C20 . LMG AU . 0.3120 0.9773 1.0423 -0.0479 -0.0200 0.0418 621 LMG B C20 ? ? 1 +49745 C C21 . LMG AU . 0.3311 0.9911 1.0591 -0.0493 -0.0187 0.0426 621 LMG B C21 ? ? 1 +49746 C C22 . LMG AU . 0.3411 0.9964 1.0643 -0.0473 -0.0196 0.0436 621 LMG B C22 ? ? 1 +49747 C C23 . LMG AU . 0.3539 1.0031 1.0732 -0.0478 -0.0179 0.0449 621 LMG B C23 ? ? 1 +49748 C C24 . LMG AU . 0.3595 1.0042 1.0755 -0.0463 -0.0192 0.0451 621 LMG B C24 ? ? 1 +49749 C C25 . LMG AU . 0.3652 1.0037 1.0760 -0.0454 -0.0180 0.0468 621 LMG B C25 ? ? 1 +49750 O O8 . LMG AU . 0.4402 1.1128 1.1596 -0.0340 -0.0283 0.0401 621 LMG B O8 ? ? 1 +49751 C C28 . LMG AU . 0.5337 1.2042 1.2509 -0.0340 -0.0284 0.0403 621 LMG B C28 ? ? 1 +49752 O O10 . LMG AU . 0.6694 1.3388 1.3845 -0.0334 -0.0285 0.0401 621 LMG B O10 ? ? 1 +49753 C C29 . LMG AU . 0.5247 1.1943 1.2423 -0.0348 -0.0282 0.0406 621 LMG B C29 ? ? 1 +49754 C C30 . LMG AU . 0.5228 1.1931 1.2426 -0.0357 -0.0281 0.0406 621 LMG B C30 ? ? 1 +49755 C C31 . LMG AU . 0.5414 1.2122 1.2620 -0.0361 -0.0269 0.0414 621 LMG B C31 ? ? 1 +49756 C C32 . LMG AU . 0.5316 1.2004 1.2505 -0.0361 -0.0264 0.0423 621 LMG B C32 ? ? 1 +49757 C C33 . LMG AU . 0.5269 1.1951 1.2459 -0.0368 -0.0250 0.0432 621 LMG B C33 ? ? 1 +49758 C C34 . LMG AU . 0.5044 1.1701 1.2207 -0.0362 -0.0247 0.0442 621 LMG B C34 ? ? 1 +49759 C C35 . LMG AU . 0.5063 1.1720 1.2206 -0.0350 -0.0255 0.0441 621 LMG B C35 ? ? 1 +49760 C C36 . LMG AU . 0.5058 1.1693 1.2172 -0.0342 -0.0254 0.0450 621 LMG B C36 ? ? 1 +49761 C C37 . LMG AU . 0.5169 1.1801 1.2262 -0.0338 -0.0245 0.0456 621 LMG B C37 ? ? 1 +49762 C C38 . LMG AU . 0.5619 1.2224 1.2675 -0.0328 -0.0247 0.0465 621 LMG B C38 ? ? 1 +49763 C C39 . LMG AU . 0.5882 1.2471 1.2911 -0.0327 -0.0230 0.0474 621 LMG B C39 ? ? 1 +49764 C C40 . LMG AU . 0.5940 1.2548 1.2970 -0.0325 -0.0225 0.0469 621 LMG B C40 ? ? 1 +49765 C C41 . LMG AU . 0.6312 1.2907 1.3319 -0.0325 -0.0204 0.0477 621 LMG B C41 ? ? 1 +49766 C C42 . LMG AU . 0.6600 1.3155 1.3560 -0.0318 -0.0198 0.0490 621 LMG B C42 ? ? 1 +49767 C C43 . LMG AU . 0.6792 1.3330 1.3719 -0.0316 -0.0174 0.0498 621 LMG B C43 ? ? 1 +49768 C C1 . BCR AV . 0.2737 1.0673 1.1284 0.1368 -0.0378 -0.0262 516 BCR C C1 ? ? 1 +49769 C C2 . BCR AV . 0.2720 1.0748 1.1330 0.1389 -0.0448 -0.0269 516 BCR C C2 ? ? 1 +49770 C C3 . BCR AV . 0.2613 1.0834 1.1391 0.1347 -0.0438 -0.0304 516 BCR C C3 ? ? 1 +49771 C C4 . BCR AV . 0.2538 1.0749 1.1309 0.1238 -0.0387 -0.0289 516 BCR C C4 ? ? 1 +49772 C C5 . BCR AV . 0.2543 1.0646 1.1232 0.1210 -0.0322 -0.0274 516 BCR C C5 ? ? 1 +49773 C C6 . BCR AV . 0.2608 1.0603 1.1211 0.1273 -0.0316 -0.0268 516 BCR C C6 ? ? 1 +49774 C C7 . BCR AV . 0.2610 1.0519 1.1149 0.1254 -0.0253 -0.0262 516 BCR C C7 ? ? 1 +49775 C C8 . BCR AV . 0.2540 1.0523 1.1151 0.1215 -0.0186 -0.0284 516 BCR C C8 ? ? 1 +49776 C C9 . BCR AV . 0.2517 1.0402 1.1049 0.1189 -0.0127 -0.0275 516 BCR C C9 ? ? 1 +49777 C C10 . BCR AV . 0.2444 1.0416 1.1059 0.1177 -0.0060 -0.0305 516 BCR C C10 ? ? 1 +49778 C C11 . BCR AV . 0.2419 1.0313 1.0968 0.1148 0.0003 -0.0301 516 BCR C C11 ? ? 1 +49779 C C33 . BCR AV . 0.2482 1.0606 1.1191 0.1110 -0.0266 -0.0269 516 BCR C C33 ? ? 1 +49780 C C31 . BCR AV . 0.2779 1.0501 1.1141 0.1369 -0.0388 -0.0218 516 BCR C C31 ? ? 1 +49781 C C32 . BCR AV . 0.2865 1.0862 1.1477 0.1453 -0.0363 -0.0297 516 BCR C C32 ? ? 1 +49782 C C34 . BCR AV . 0.2498 1.0187 1.0859 0.1168 -0.0131 -0.0234 516 BCR C C34 ? ? 1 +49783 C C12 . BCR AV . 0.2351 1.0319 1.0969 0.1139 0.0070 -0.0330 516 BCR C C12 ? ? 1 +49784 C C13 . BCR AV . 0.2321 1.0203 1.0862 0.1108 0.0133 -0.0325 516 BCR C C13 ? ? 1 +49785 C C14 . BCR AV . 0.2280 1.0247 1.0898 0.1112 0.0200 -0.0357 516 BCR C C14 ? ? 1 +49786 C C15 . BCR AV . 0.2297 1.0199 1.0855 0.1089 0.0266 -0.0359 516 BCR C C15 ? ? 1 +49787 C C16 . BCR AV . 0.2301 1.0286 1.0933 0.1097 0.0335 -0.0392 516 BCR C C16 ? ? 1 +49788 C C17 . BCR AV . 0.2329 1.0246 1.0894 0.1073 0.0404 -0.0394 516 BCR C C17 ? ? 1 +49789 C C18 . BCR AV . 0.2354 1.0349 1.0986 0.1082 0.0478 -0.0427 516 BCR C C18 ? ? 1 +49790 C C19 . BCR AV . 0.2383 1.0277 1.0915 0.1052 0.0541 -0.0422 516 BCR C C19 ? ? 1 +49791 C C20 . BCR AV . 0.2409 1.0347 1.0974 0.1049 0.0622 -0.0448 516 BCR C C20 ? ? 1 +49792 C C21 . BCR AV . 0.2451 1.0268 1.0893 0.1023 0.0675 -0.0439 516 BCR C C21 ? ? 1 +49793 C C22 . BCR AV . 0.2490 1.0326 1.0938 0.1012 0.0760 -0.0461 516 BCR C C22 ? ? 1 +49794 C C23 . BCR AV . 0.2547 1.0230 1.0841 0.0986 0.0795 -0.0445 516 BCR C C23 ? ? 1 +49795 C C24 . BCR AV . 0.2568 1.0244 1.0838 0.0944 0.0874 -0.0453 516 BCR C C24 ? ? 1 +49796 C C25 . BCR AV . 0.2621 1.0140 1.0729 0.0919 0.0909 -0.0438 516 BCR C C25 ? ? 1 +49797 C C26 . BCR AV . 0.2706 1.0083 1.0686 0.0966 0.0895 -0.0434 516 BCR C C26 ? ? 1 +49798 C C27 . BCR AV . 0.2778 0.9989 1.0585 0.0932 0.0922 -0.0417 516 BCR C C27 ? ? 1 +49799 C C28 . BCR AV . 0.2723 0.9918 1.0496 0.0842 0.0939 -0.0395 516 BCR C C28 ? ? 1 +49800 C C29 . BCR AV . 0.2668 1.0021 1.0581 0.0809 0.0992 -0.0412 516 BCR C C29 ? ? 1 +49801 C C30 . BCR AV . 0.2581 1.0094 1.0663 0.0830 0.0953 -0.0424 516 BCR C C30 ? ? 1 +49802 C C35 . BCR AV . 0.2340 1.0037 1.0714 0.1066 0.0128 -0.0285 516 BCR C C35 ? ? 1 +49803 C C36 . BCR AV . 0.2354 1.0539 1.1165 0.1127 0.0490 -0.0469 516 BCR C C36 ? ? 1 +49804 C C37 . BCR AV . 0.2482 1.0501 1.1100 0.1034 0.0809 -0.0502 516 BCR C C37 ? ? 1 +49805 C C38 . BCR AV . 0.2727 1.0088 1.0713 0.1055 0.0852 -0.0445 516 BCR C C38 ? ? 1 +49806 C C39 . BCR AV . 0.2474 0.9983 1.0557 0.0775 0.0888 -0.0393 516 BCR C C39 ? ? 1 +49807 C C40 . BCR AV . 0.2577 1.0253 1.0805 0.0811 0.1024 -0.0454 516 BCR C C40 ? ? 1 +49808 C C1 . BCR AW . 0.2624 0.8773 1.0390 -0.1601 0.0727 0.0334 101 BCR H C1 ? ? 1 +49809 C C2 . BCR AW . 0.2737 0.8706 1.0329 -0.1577 0.0759 0.0383 101 BCR H C2 ? ? 1 +49810 C C3 . BCR AW . 0.2890 0.8726 1.0424 -0.1642 0.0816 0.0390 101 BCR H C3 ? ? 1 +49811 C C4 . BCR AW . 0.2942 0.8840 1.0571 -0.1716 0.0889 0.0373 101 BCR H C4 ? ? 1 +49812 C C5 . BCR AW . 0.2827 0.8923 1.0640 -0.1737 0.0866 0.0326 101 BCR H C5 ? ? 1 +49813 C C6 . BCR AW . 0.2701 0.8911 1.0575 -0.1683 0.0790 0.0308 101 BCR H C6 ? ? 1 +49814 C C7 . BCR AW . 0.2638 0.9036 1.0681 -0.1695 0.0764 0.0265 101 BCR H C7 ? ? 1 +49815 C C8 . BCR AW . 0.2700 0.9190 1.0879 -0.1765 0.0780 0.0222 101 BCR H C8 ? ? 1 +49816 C C9 . BCR AW . 0.2644 0.9319 1.0984 -0.1766 0.0745 0.0179 101 BCR H C9 ? ? 1 +49817 C C10 . BCR AW . 0.2699 0.9450 1.1166 -0.1836 0.0743 0.0132 101 BCR H C10 ? ? 1 +49818 C C11 . BCR AW . 0.2663 0.9587 1.1289 -0.1844 0.0700 0.0083 101 BCR H C11 ? ? 1 +49819 C C33 . BCR AW . 0.2870 0.9017 1.0783 -0.1823 0.0937 0.0303 101 BCR H C33 ? ? 1 +49820 C C31 . BCR AW . 0.2592 0.8738 1.0378 -0.1602 0.0661 0.0308 101 BCR H C31 ? ? 1 +49821 C C32 . BCR AW . 0.2474 0.8745 1.0284 -0.1536 0.0690 0.0334 101 BCR H C32 ? ? 1 +49822 C C34 . BCR AW . 0.2516 0.9311 1.0898 -0.1696 0.0706 0.0179 101 BCR H C34 ? ? 1 +49823 C C12 . BCR AW . 0.2738 0.9714 1.1466 -0.1905 0.0681 0.0037 101 BCR H C12 ? ? 1 +49824 C C13 . BCR AW . 0.2700 0.9846 1.1586 -0.1914 0.0632 -0.0015 101 BCR H C13 ? ? 1 +49825 C C14 . BCR AW . 0.2739 0.9903 1.1696 -0.1971 0.0603 -0.0059 101 BCR H C14 ? ? 1 +49826 C C15 . BCR AW . 0.2690 1.0001 1.1787 -0.1981 0.0543 -0.0113 101 BCR H C15 ? ? 1 +49827 C C16 . BCR AW . 0.2746 1.0059 1.1891 -0.2028 0.0504 -0.0154 101 BCR H C16 ? ? 1 +49828 C C17 . BCR AW . 0.2717 1.0175 1.1999 -0.2038 0.0442 -0.0210 101 BCR H C17 ? ? 1 +49829 C C18 . BCR AW . 0.2794 1.0252 1.2118 -0.2081 0.0395 -0.0253 101 BCR H C18 ? ? 1 +49830 C C19 . BCR AW . 0.2807 1.0431 1.2279 -0.2083 0.0330 -0.0311 101 BCR H C19 ? ? 1 +49831 C C20 . BCR AW . 0.2889 1.0537 1.2415 -0.2119 0.0273 -0.0360 101 BCR H C20 ? ? 1 +49832 C C21 . BCR AW . 0.2848 1.0659 1.2513 -0.2117 0.0206 -0.0416 101 BCR H C21 ? ? 1 +49833 C C22 . BCR AW . 0.2889 1.0724 1.2608 -0.2154 0.0146 -0.0469 101 BCR H C22 ? ? 1 +49834 C C23 . BCR AW . 0.2843 1.0852 1.2699 -0.2138 0.0075 -0.0523 101 BCR H C23 ? ? 1 +49835 C C24 . BCR AW . 0.2877 1.0944 1.2823 -0.2187 0.0025 -0.0583 101 BCR H C24 ? ? 1 +49836 C C25 . BCR AW . 0.2822 1.1072 1.2914 -0.2172 -0.0051 -0.0642 101 BCR H C25 ? ? 1 +49837 C C26 . BCR AW . 0.2700 1.1036 1.2796 -0.2082 -0.0116 -0.0640 101 BCR H C26 ? ? 1 +49838 C C27 . BCR AW . 0.2677 1.1209 1.2932 -0.2066 -0.0188 -0.0702 101 BCR H C27 ? ? 1 +49839 C C28 . BCR AW . 0.2712 1.1372 1.3152 -0.2160 -0.0165 -0.0762 101 BCR H C28 ? ? 1 +49840 C C29 . BCR AW . 0.2840 1.1373 1.3239 -0.2251 -0.0131 -0.0771 101 BCR H C29 ? ? 1 +49841 C C30 . BCR AW . 0.2917 1.1266 1.3172 -0.2270 -0.0040 -0.0706 101 BCR H C30 ? ? 1 +49842 C C35 . BCR AW . 0.2609 0.9913 1.1585 -0.1861 0.0609 -0.0026 101 BCR H C35 ? ? 1 +49843 C C36 . BCR AW . 0.2850 1.0125 1.2055 -0.2123 0.0411 -0.0239 101 BCR H C36 ? ? 1 +49844 C C37 . BCR AW . 0.2988 1.0653 1.2607 -0.2208 0.0160 -0.0465 101 BCR H C37 ? ? 1 +49845 C C38 . BCR AW . 0.2612 1.0862 1.2559 -0.1987 -0.0125 -0.0580 101 BCR H C38 ? ? 1 +49846 C C39 . BCR AW . 0.3031 1.1225 1.3209 -0.2343 -0.0030 -0.0714 101 BCR H C39 ? ? 1 +49847 C C40 . BCR AW . 0.2942 1.1360 1.3299 -0.2325 0.0057 -0.0699 101 BCR H C40 ? ? 1 +49848 MG MG . CLA AX . 0.1759 0.8703 0.8623 0.0313 0.0669 0.0241 407 CLA a MG ? ? 1 +49849 C CHA . CLA AX . 0.1746 0.8778 0.8721 0.0430 0.0599 0.0194 407 CLA a CHA ? ? 1 +49850 C CHB . CLA AX . 0.2038 0.8812 0.8659 0.0398 0.0751 0.0223 407 CLA a CHB ? ? 1 +49851 C CHC . CLA AX . 0.1804 0.8713 0.8609 0.0212 0.0783 0.0281 407 CLA a CHC ? ? 1 +49852 C CHD . CLA AX . 0.1495 0.8685 0.8677 0.0235 0.0628 0.0241 407 CLA a CHD ? ? 1 +49853 N NA . CLA AX . 0.1887 0.8807 0.8707 0.0396 0.0679 0.0213 407 CLA a NA ? ? 1 +49854 C C1A . CLA AX . 0.1898 0.8851 0.8764 0.0436 0.0646 0.0197 407 CLA a C1A ? ? 1 +49855 C C2A . CLA AX . 0.2073 0.8958 0.8853 0.0493 0.0652 0.0182 407 CLA a C2A ? ? 1 +49856 C C3A . CLA AX . 0.2107 0.8893 0.8761 0.0476 0.0685 0.0194 407 CLA a C3A ? ? 1 +49857 C C4A . CLA AX . 0.2008 0.8841 0.8713 0.0419 0.0708 0.0211 407 CLA a C4A ? ? 1 +49858 C CMA . CLA AX . 0.2145 0.8799 0.8667 0.0472 0.0635 0.0202 407 CLA a CMA ? ? 1 +49859 C CAA . CLA AX . 0.2251 0.9228 0.9115 0.0543 0.0693 0.0159 407 CLA a CAA ? ? 1 +49860 C CBA . CLA AX . 0.2450 0.9499 0.9370 0.0524 0.0768 0.0158 407 CLA a CBA ? ? 1 +49861 C CGA . CLA AX . 0.2788 0.9930 0.9792 0.0575 0.0812 0.0132 407 CLA a CGA ? ? 1 +49862 O O1A . CLA AX . 0.2867 1.0037 0.9907 0.0624 0.0783 0.0115 407 CLA a O1A ? ? 1 +49863 O O2A . CLA AX . 0.3349 1.0555 1.0399 0.0568 0.0892 0.0126 407 CLA a O2A ? ? 1 +49864 N NB . CLA AX . 0.1878 0.8747 0.8625 0.0306 0.0754 0.0250 407 CLA a NB ? ? 1 +49865 C C1B . CLA AX . 0.1985 0.8777 0.8625 0.0343 0.0776 0.0243 407 CLA a C1B ? ? 1 +49866 C C2B . CLA AX . 0.2067 0.8798 0.8615 0.0328 0.0833 0.0254 407 CLA a C2B ? ? 1 +49867 C C3B . CLA AX . 0.2006 0.8780 0.8613 0.0273 0.0845 0.0272 407 CLA a C3B ? ? 1 +49868 C C4B . CLA AX . 0.1889 0.8741 0.8611 0.0263 0.0790 0.0268 407 CLA a C4B ? ? 1 +49869 C CMB . CLA AX . 0.2192 0.8839 0.8618 0.0364 0.0872 0.0247 407 CLA a CMB ? ? 1 +49870 C CAB . CLA AX . 0.2059 0.8793 0.8611 0.0234 0.0892 0.0292 407 CLA a CAB ? ? 1 +49871 C CBB . CLA AX . 0.2169 0.8801 0.8583 0.0243 0.0919 0.0300 407 CLA a CBB ? ? 1 +49872 N NC . CLA AX . 0.1657 0.8694 0.8635 0.0240 0.0701 0.0257 407 CLA a NC ? ? 1 +49873 C C1C . CLA AX . 0.1689 0.8692 0.8623 0.0202 0.0743 0.0274 407 CLA a C1C ? ? 1 +49874 C C2C . CLA AX . 0.1628 0.8696 0.8651 0.0150 0.0755 0.0284 407 CLA a C2C ? ? 1 +49875 C C3C . CLA AX . 0.1534 0.8687 0.8670 0.0157 0.0707 0.0271 407 CLA a C3C ? ? 1 +49876 C C4C . CLA AX . 0.1560 0.8682 0.8653 0.0212 0.0677 0.0257 407 CLA a C4C ? ? 1 +49877 C CMC . CLA AX . 0.1664 0.8709 0.8662 0.0103 0.0802 0.0303 407 CLA a CMC ? ? 1 +49878 C CAC . CLA AX . 0.1446 0.8690 0.8706 0.0118 0.0691 0.0271 407 CLA a CAC ? ? 1 +49879 C CBC . CLA AX . 0.1438 0.8811 0.8833 0.0122 0.0740 0.0250 407 CLA a CBC ? ? 1 +49880 N ND . CLA AX . 0.1640 0.8743 0.8697 0.0329 0.0640 0.0220 407 CLA a ND ? ? 1 +49881 C C1D . CLA AX . 0.1529 0.8698 0.8681 0.0292 0.0605 0.0226 407 CLA a C1D ? ? 1 +49882 C C2D . CLA AX . 0.1474 0.8693 0.8694 0.0321 0.0552 0.0212 407 CLA a C2D ? ? 1 +49883 C C3D . CLA AX . 0.1557 0.8718 0.8702 0.0377 0.0552 0.0200 407 CLA a C3D ? ? 1 +49884 C C4D . CLA AX . 0.1643 0.8736 0.8695 0.0375 0.0596 0.0206 407 CLA a C4D ? ? 1 +49885 C CMD . CLA AX . 0.1384 0.8679 0.8708 0.0305 0.0507 0.0208 407 CLA a CMD ? ? 1 +49886 C CAD . CLA AX . 0.1593 0.8732 0.8716 0.0435 0.0519 0.0184 407 CLA a CAD ? ? 1 +49887 O OBD . CLA AX . 0.1544 0.8721 0.8724 0.0454 0.0471 0.0176 407 CLA a OBD ? ? 1 +49888 C CBD . CLA AX . 0.1705 0.8760 0.8720 0.0471 0.0549 0.0180 407 CLA a CBD ? ? 1 +49889 C CGD . CLA AX . 0.1740 0.8678 0.8642 0.0485 0.0498 0.0185 407 CLA a CGD ? ? 1 +49890 O O1D . CLA AX . 0.1736 0.8592 0.8560 0.0448 0.0473 0.0202 407 CLA a O1D ? ? 1 +49891 O O2D . CLA AX . 0.1786 0.8709 0.8677 0.0545 0.0476 0.0167 407 CLA a O2D ? ? 1 +49892 C CED . CLA AX . 0.1811 0.8627 0.8608 0.0552 0.0423 0.0172 407 CLA a CED ? ? 1 +49893 C C1 . CLA AX . 0.4019 1.1195 1.1011 0.0619 0.0940 0.0111 407 CLA a C1 ? ? 1 +49894 C C2 . CLA AX . 0.4648 1.1840 1.1634 0.0589 0.1022 0.0117 407 CLA a C2 ? ? 1 +49895 C C3 . CLA AX . 0.5730 1.2889 1.2652 0.0624 0.1083 0.0107 407 CLA a C3 ? ? 1 +49896 C C4 . CLA AX . 0.5844 1.2948 1.2698 0.0697 0.1070 0.0087 407 CLA a C4 ? ? 1 +49897 C C5 . CLA AX . 0.6606 1.3783 1.3526 0.0587 0.1166 0.0115 407 CLA a C5 ? ? 1 +49898 C C6 . CLA AX . 0.7387 1.4442 1.4146 0.0608 0.1214 0.0118 407 CLA a C6 ? ? 1 +49899 C C7 . CLA AX . 0.8202 1.5300 1.4985 0.0577 0.1307 0.0123 407 CLA a C7 ? ? 1 +49900 C C8 . CLA AX . 0.9123 1.6153 1.5797 0.0614 0.1377 0.0115 407 CLA a C8 ? ? 1 +49901 C C9 . CLA AX . 0.9174 1.6189 1.5809 0.0575 0.1465 0.0129 407 CLA a C9 ? ? 1 +49902 C C10 . CLA AX . 0.9878 1.6828 1.6453 0.0684 0.1359 0.0097 407 CLA a C10 ? ? 1 +49903 C C11 . CLA AX . 1.0546 1.7317 1.6915 0.0687 0.1336 0.0111 407 CLA a C11 ? ? 1 +49904 C C12 . CLA AX . 1.0806 1.7505 1.7125 0.0673 0.1238 0.0123 407 CLA a C12 ? ? 1 +49905 C C13 . CLA AX . 1.1300 1.7842 1.7439 0.0705 0.1210 0.0120 407 CLA a C13 ? ? 1 +49906 C C14 . CLA AX . 1.1333 1.7811 1.7433 0.0695 0.1115 0.0127 407 CLA a C14 ? ? 1 +49907 C C15 . CLA AX . 1.1674 1.8109 1.7665 0.0684 0.1258 0.0135 407 CLA a C15 ? ? 1 +49908 C C16 . CLA AX . 1.1351 1.7741 1.7300 0.0619 0.1232 0.0164 407 CLA a C16 ? ? 1 +49909 C C17 . CLA AX . 1.0990 1.7268 1.6782 0.0604 0.1278 0.0179 407 CLA a C17 ? ? 1 +49910 C C18 . CLA AX . 1.0602 1.6718 1.6203 0.0623 0.1243 0.0178 407 CLA a C18 ? ? 1 +49911 C C19 . CLA AX . 1.0348 1.6369 1.5853 0.0582 0.1179 0.0199 407 CLA a C19 ? ? 1 +49912 C C20 . CLA AX . 1.0811 1.6861 1.6317 0.0682 0.1269 0.0154 407 CLA a C20 ? ? 1 +49913 MG MG . CLA AY . 0.1414 1.0237 1.0242 -0.0218 -0.1483 -0.0633 615 CLA b MG ? ? 1 +49914 C CHA . CLA AY . 0.1379 0.9852 0.9895 -0.0229 -0.1336 -0.0484 615 CLA b CHA ? ? 1 +49915 C CHB . CLA AY . 0.1274 1.0262 1.0382 -0.0324 -0.1319 -0.0646 615 CLA b CHB ? ? 1 +49916 C CHC . CLA AY . 0.1452 1.0643 1.0588 -0.0126 -0.1642 -0.0759 615 CLA b CHC ? ? 1 +49917 C CHD . CLA AY . 0.1613 1.0233 1.0096 -0.0041 -0.1647 -0.0588 615 CLA b CHD ? ? 1 +49918 N NA . CLA AY . 0.1362 1.0109 1.0177 -0.0268 -0.1357 -0.0577 615 CLA b NA ? ? 1 +49919 C C1A . CLA AY . 0.1381 0.9987 1.0066 -0.0275 -0.1310 -0.0524 615 CLA b C1A ? ? 1 +49920 C C2A . CLA AY . 0.1375 0.9958 1.0090 -0.0328 -0.1220 -0.0500 615 CLA b C2A ? ? 1 +49921 C C3A . CLA AY . 0.1304 1.0042 1.0196 -0.0358 -0.1214 -0.0550 615 CLA b C3A ? ? 1 +49922 C C4A . CLA AY . 0.1321 1.0154 1.0265 -0.0313 -0.1303 -0.0594 615 CLA b C4A ? ? 1 +49923 C CMA . CLA AY . 0.1252 1.0019 1.0195 -0.0338 -0.1163 -0.0528 615 CLA b CMA ? ? 1 +49924 C CAA . CLA AY . 0.1473 0.9948 1.0106 -0.0392 -0.1173 -0.0481 615 CLA b CAA ? ? 1 +49925 C CBA . CLA AY . 0.1507 0.9986 1.0200 -0.0459 -0.1090 -0.0475 615 CLA b CBA ? ? 1 +49926 C CGA . CLA AY . 0.1574 0.9991 1.0218 -0.0434 -0.1036 -0.0424 615 CLA b CGA ? ? 1 +49927 O O1A . CLA AY . 0.1583 0.9938 1.0138 -0.0374 -0.1054 -0.0389 615 CLA b O1A ? ? 1 +49928 O O2A . CLA AY . 0.1800 1.0229 1.0502 -0.0483 -0.0960 -0.0417 615 CLA b O2A ? ? 1 +49929 N NB . CLA AY . 0.1371 1.0422 1.0451 -0.0223 -0.1480 -0.0691 615 CLA b NB ? ? 1 +49930 C C1B . CLA AY . 0.1304 1.0406 1.0486 -0.0277 -0.1405 -0.0693 615 CLA b C1B ? ? 1 +49931 C C2B . CLA AY . 0.1265 1.0543 1.0632 -0.0274 -0.1413 -0.0742 615 CLA b C2B ? ? 1 +49932 C C3B . CLA AY . 0.1326 1.0668 1.0705 -0.0214 -0.1512 -0.0776 615 CLA b C3B ? ? 1 +49933 C C4B . CLA AY . 0.1374 1.0567 1.0571 -0.0190 -0.1546 -0.0742 615 CLA b C4B ? ? 1 +49934 C CMB . CLA AY . 0.1192 1.0560 1.0699 -0.0323 -0.1339 -0.0755 615 CLA b CMB ? ? 1 +49935 C CAB . CLA AY . 0.1342 1.0868 1.0895 -0.0189 -0.1557 -0.0834 615 CLA b CAB ? ? 1 +49936 C CBB . CLA AY . 0.1408 1.1003 1.0982 -0.0134 -0.1649 -0.0870 615 CLA b CBB ? ? 1 +49937 N NC . CLA AY . 0.1505 1.0388 1.0312 -0.0109 -0.1612 -0.0662 615 CLA b NC ? ? 1 +49938 C C1C . CLA AY . 0.1517 1.0553 1.0460 -0.0084 -0.1670 -0.0716 615 CLA b C1C ? ? 1 +49939 C C2C . CLA AY . 0.1598 1.0645 1.0489 -0.0002 -0.1766 -0.0731 615 CLA b C2C ? ? 1 +49940 C C3C . CLA AY . 0.1638 1.0510 1.0331 0.0022 -0.1765 -0.0679 615 CLA b C3C ? ? 1 +49941 C C4C . CLA AY . 0.1581 1.0375 1.0247 -0.0050 -0.1672 -0.0645 615 CLA b C4C ? ? 1 +49942 C CMC . CLA AY . 0.1628 1.0829 1.0641 0.0046 -0.1846 -0.0787 615 CLA b CMC ? ? 1 +49943 C CAC . CLA AY . 0.1739 1.0533 1.0290 0.0100 -0.1841 -0.0667 615 CLA b CAC ? ? 1 +49944 C CBC . CLA AY . 0.1749 1.0492 1.0231 0.0183 -0.1841 -0.0623 615 CLA b CBC ? ? 1 +49945 N ND . CLA AY . 0.1480 1.0084 1.0048 -0.0155 -0.1490 -0.0556 615 CLA b ND ? ? 1 +49946 C C1D . CLA AY . 0.1550 1.0087 0.9995 -0.0084 -0.1557 -0.0543 615 CLA b C1D ? ? 1 +49947 C C2D . CLA AY . 0.1566 0.9939 0.9842 -0.0075 -0.1521 -0.0484 615 CLA b C2D ? ? 1 +49948 C C3D . CLA AY . 0.1477 0.9837 0.9797 -0.0135 -0.1433 -0.0463 615 CLA b C3D ? ? 1 +49949 C C4D . CLA AY . 0.1431 0.9920 0.9910 -0.0169 -0.1421 -0.0502 615 CLA b C4D ? ? 1 +49950 C CMD . CLA AY . 0.1652 0.9895 0.9753 -0.0021 -0.1554 -0.0448 615 CLA b CMD ? ? 1 +49951 C CAD . CLA AY . 0.1437 0.9689 0.9683 -0.0165 -0.1354 -0.0412 615 CLA b CAD ? ? 1 +49952 O OBD . CLA AY . 0.1447 0.9571 0.9551 -0.0143 -0.1341 -0.0367 615 CLA b OBD ? ? 1 +49953 C CBD . CLA AY . 0.1364 0.9684 0.9732 -0.0227 -0.1290 -0.0424 615 CLA b CBD ? ? 1 +49954 C CGD . CLA AY . 0.1301 0.9584 0.9654 -0.0207 -0.1234 -0.0379 615 CLA b CGD ? ? 1 +49955 O O1D . CLA AY . 0.1272 0.9622 0.9692 -0.0171 -0.1238 -0.0383 615 CLA b O1D ? ? 1 +49956 O O2D . CLA AY . 0.1284 0.9442 0.9533 -0.0229 -0.1174 -0.0331 615 CLA b O2D ? ? 1 +49957 C CED . CLA AY . 0.1217 0.9352 0.9469 -0.0222 -0.1118 -0.0295 615 CLA b CED ? ? 1 +49958 C C1 . CLA AY . 0.2011 1.0378 1.0666 -0.0465 -0.0907 -0.0372 615 CLA b C1 ? ? 1 +49959 C C2 . CLA AY . 0.2247 1.0702 1.0981 -0.0414 -0.0917 -0.0378 615 CLA b C2 ? ? 1 +49960 C C3 . CLA AY . 0.2546 1.1073 1.1381 -0.0434 -0.0869 -0.0389 615 CLA b C3 ? ? 1 +49961 C C4 . CLA AY . 0.2483 1.1008 1.1361 -0.0511 -0.0800 -0.0396 615 CLA b C4 ? ? 1 +49962 C C5 . CLA AY . 0.2889 1.1497 1.1792 -0.0374 -0.0885 -0.0395 615 CLA b C5 ? ? 1 +49963 C C6 . CLA AY . 0.3264 1.2026 1.2322 -0.0391 -0.0909 -0.0454 615 CLA b C6 ? ? 1 +49964 C C7 . CLA AY . 0.3732 1.2590 1.2879 -0.0336 -0.0917 -0.0466 615 CLA b C7 ? ? 1 +49965 C C8 . CLA AY . 0.4342 1.3268 1.3514 -0.0267 -0.1003 -0.0490 615 CLA b C8 ? ? 1 +49966 C C9 . CLA AY . 0.4664 1.3571 1.3781 -0.0256 -0.1077 -0.0505 615 CLA b C9 ? ? 1 +49967 C C10 . CLA AY . 0.4448 1.3438 1.3672 -0.0197 -0.1014 -0.0490 615 CLA b C10 ? ? 1 +49968 C C11 . CLA AY . 0.4493 1.3457 1.3644 -0.0114 -0.1091 -0.0481 615 CLA b C11 ? ? 1 +49969 C C12 . CLA AY . 0.4436 1.3505 1.3676 -0.0045 -0.1123 -0.0503 615 CLA b C12 ? ? 1 +49970 C C13 . CLA AY . 0.4391 1.3496 1.3619 0.0018 -0.1218 -0.0526 615 CLA b C13 ? ? 1 +49971 C C14 . CLA AY . 0.4418 1.3583 1.3690 0.0102 -0.1245 -0.0531 615 CLA b C14 ? ? 1 +49972 C C15 . CLA AY . 0.4283 1.3240 1.3336 0.0037 -0.1251 -0.0487 615 CLA b C15 ? ? 1 +49973 C C16 . CLA AY . 0.4344 1.3338 1.3394 0.0050 -0.1333 -0.0522 615 CLA b C16 ? ? 1 +49974 C C17 . CLA AY . 0.4306 1.3406 1.3482 -0.0028 -0.1326 -0.0573 615 CLA b C17 ? ? 1 +49975 C C18 . CLA AY . 0.4215 1.3319 1.3372 -0.0053 -0.1382 -0.0602 615 CLA b C18 ? ? 1 +49976 C C19 . CLA AY . 0.4272 1.3256 1.3325 -0.0117 -0.1346 -0.0577 615 CLA b C19 ? ? 1 +49977 C C20 . CLA AY . 0.4229 1.3450 1.3469 -0.0035 -0.1466 -0.0661 615 CLA b C20 ? ? 1 +49978 MG MG . CLA AZ . 0.7226 0.9882 0.8583 0.0895 0.0279 -0.0393 512 CLA c MG ? ? 1 +49979 C CHA . CLA AZ . 0.7703 1.0083 0.8575 0.0947 0.0248 -0.0427 512 CLA c CHA ? ? 1 +49980 C CHB . CLA AZ . 0.7520 1.0010 0.8693 0.1024 0.0455 -0.0428 512 CLA c CHB ? ? 1 +49981 C CHC . CLA AZ . 0.6922 0.9711 0.8628 0.0840 0.0238 -0.0409 512 CLA c CHC ? ? 1 +49982 C CHD . CLA AZ . 0.7044 0.9783 0.8520 0.0762 0.0036 -0.0411 512 CLA c CHD ? ? 1 +49983 N NA . CLA AZ . 0.7554 1.0021 0.8632 0.0966 0.0337 -0.0424 512 CLA c NA ? ? 1 +49984 C C1A . CLA AZ . 0.7720 1.0097 0.8628 0.0981 0.0325 -0.0432 512 CLA c C1A ? ? 1 +49985 C C2A . CLA AZ . 0.7937 1.0209 0.8680 0.1041 0.0404 -0.0440 512 CLA c C2A ? ? 1 +49986 C C3A . CLA AZ . 0.7868 1.0166 0.8699 0.1064 0.0460 -0.0448 512 CLA c C3A ? ? 1 +49987 C C4A . CLA AZ . 0.7628 1.0055 0.8671 0.1014 0.0415 -0.0432 512 CLA c C4A ? ? 1 +49988 C CMA . CLA AZ . 0.7883 1.0214 0.8719 0.1113 0.0578 -0.0420 512 CLA c CMA ? ? 1 +49989 C CAA . CLA AZ . 0.8220 1.0324 0.8731 0.1059 0.0362 -0.0482 512 CLA c CAA ? ? 1 +49990 C CBA . CLA AZ . 0.8294 1.0340 0.8796 0.1027 0.0270 -0.0529 512 CLA c CBA ? ? 1 +49991 C CGA . CLA AZ . 0.8590 1.0471 0.8864 0.1043 0.0223 -0.0573 512 CLA c CGA ? ? 1 +49992 O O1A . CLA AZ . 0.8790 1.0587 0.8902 0.1087 0.0270 -0.0572 512 CLA c O1A ? ? 1 +49993 O O2A . CLA AZ . 0.8678 1.0498 0.8922 0.1005 0.0121 -0.0619 512 CLA c O2A ? ? 1 +49994 N NB . CLA AZ . 0.7222 0.9864 0.8649 0.0924 0.0330 -0.0415 512 CLA c NB ? ? 1 +49995 C C1B . CLA AZ . 0.7333 0.9914 0.8682 0.0980 0.0407 -0.0424 512 CLA c C1B ? ? 1 +49996 C C2B . CLA AZ . 0.7293 0.9884 0.8723 0.0998 0.0434 -0.0436 512 CLA c C2B ? ? 1 +49997 C C3B . CLA AZ . 0.7117 0.9791 0.8696 0.0941 0.0365 -0.0430 512 CLA c C3B ? ? 1 +49998 C C4B . CLA AZ . 0.7078 0.9785 0.8653 0.0901 0.0312 -0.0415 512 CLA c C4B ? ? 1 +49999 C CMB . CLA AZ . 0.7397 0.9928 0.8765 0.1061 0.0512 -0.0450 512 CLA c CMB ? ? 1 +50000 C CAB . CLA AZ . 0.7016 0.9743 0.8737 0.0926 0.0355 -0.0431 512 CLA c CAB ? ? 1 +50001 C CBB . CLA AZ . 0.7023 0.9764 0.8787 0.0969 0.0420 -0.0428 512 CLA c CBB ? ? 1 +50002 N NC . CLA AZ . 0.7032 0.9770 0.8573 0.0818 0.0167 -0.0407 512 CLA c NC ? ? 1 +50003 C C1C . CLA AZ . 0.6906 0.9700 0.8585 0.0801 0.0166 -0.0409 512 CLA c C1C ? ? 1 +50004 C C2C . CLA AZ . 0.6780 0.9632 0.8574 0.0740 0.0085 -0.0415 512 CLA c C2C ? ? 1 +50005 C C3C . CLA AZ . 0.6821 0.9665 0.8554 0.0717 0.0026 -0.0417 512 CLA c C3C ? ? 1 +50006 C C4C . CLA AZ . 0.6964 0.9741 0.8548 0.0767 0.0082 -0.0409 512 CLA c C4C ? ? 1 +50007 C CMC . CLA AZ . 0.6659 0.9565 0.8598 0.0711 0.0067 -0.0419 512 CLA c CMC ? ? 1 +50008 C CAC . CLA AZ . 0.6741 0.9638 0.8549 0.0659 -0.0066 -0.0423 512 CLA c CAC ? ? 1 +50009 C CBC . CLA AZ . 0.6874 0.9665 0.8579 0.0637 -0.0142 -0.0475 512 CLA c CBC ? ? 1 +50010 N ND . CLA AZ . 0.7353 0.9912 0.8554 0.0861 0.0157 -0.0424 512 CLA c ND ? ? 1 +50011 C C1D . CLA AZ . 0.7237 0.9873 0.8526 0.0809 0.0077 -0.0415 512 CLA c C1D ? ? 1 +50012 C C2D . CLA AZ . 0.7349 0.9931 0.8504 0.0813 0.0036 -0.0415 512 CLA c C2D ? ? 1 +50013 C C3D . CLA AZ . 0.7526 1.0003 0.8513 0.0869 0.0108 -0.0419 512 CLA c C3D ? ? 1 +50014 C C4D . CLA AZ . 0.7510 0.9992 0.8546 0.0891 0.0176 -0.0421 512 CLA c C4D ? ? 1 +50015 C CMD . CLA AZ . 0.7317 0.9930 0.8477 0.0778 -0.0050 -0.0413 512 CLA c CMD ? ? 1 +50016 C CAD . CLA AZ . 0.7718 1.0085 0.8500 0.0910 0.0134 -0.0420 512 CLA c CAD ? ? 1 +50017 O OBD . CLA AZ . 0.7772 1.0108 0.8462 0.0906 0.0085 -0.0417 512 CLA c OBD ? ? 1 +50018 C CBD . CLA AZ . 0.7841 1.0141 0.8541 0.0962 0.0229 -0.0425 512 CLA c CBD ? ? 1 +50019 C CGD . CLA AZ . 0.7858 1.0179 0.8525 0.0995 0.0322 -0.0383 512 CLA c CGD ? ? 1 +50020 O O1D . CLA AZ . 0.7702 1.0146 0.8522 0.0983 0.0365 -0.0342 512 CLA c O1D ? ? 1 +50021 O O2D . CLA AZ . 0.8078 1.0268 0.8526 0.1042 0.0363 -0.0391 512 CLA c O2D ? ? 1 +50022 C CED . CLA AZ . 0.8120 1.0318 0.8516 0.1064 0.0430 -0.0352 512 CLA c CED ? ? 1 +50023 C C1 . CLA AZ . 0.8922 1.0581 0.8980 0.1027 0.0101 -0.0670 512 CLA c C1 ? ? 1 +50024 C C2 . CLA AZ . 0.8912 1.0562 0.9048 0.0988 0.0042 -0.0706 512 CLA c C2 ? ? 1 +50025 C C3 . CLA AZ . 0.9146 1.0654 0.9143 0.0998 0.0017 -0.0757 512 CLA c C3 ? ? 1 +50026 C C4 . CLA AZ . 0.9399 1.0755 0.9157 0.1051 0.0045 -0.0781 512 CLA c C4 ? ? 1 +50027 C C5 . CLA AZ . 0.9152 1.0646 0.9228 0.0955 -0.0037 -0.0791 512 CLA c C5 ? ? 1 +50028 C C6 . CLA AZ . 0.9219 1.0687 0.9325 0.0991 0.0039 -0.0792 512 CLA c C6 ? ? 1 +50029 C C7 . CLA AZ . 0.9092 1.0697 0.9347 0.1016 0.0127 -0.0736 512 CLA c C7 ? ? 1 +50030 C C8 . CLA AZ . 0.9085 1.0705 0.9419 0.1049 0.0200 -0.0729 512 CLA c C8 ? ? 1 +50031 C C9 . CLA AZ . 0.9113 1.0774 0.9453 0.1112 0.0311 -0.0695 512 CLA c C9 ? ? 1 +50032 C C10 . CLA AZ . 0.9092 1.0677 0.9484 0.1021 0.0161 -0.0758 512 CLA c C10 ? ? 1 +50033 C C11 . CLA AZ . 0.9112 1.0695 0.9547 0.1070 0.0243 -0.0750 512 CLA c C11 ? ? 1 +50034 C C12 . CLA AZ . 0.9212 1.0692 0.9619 0.1057 0.0209 -0.0791 512 CLA c C12 ? ? 1 +50035 C C13 . CLA AZ . 0.9228 1.0699 0.9670 0.1113 0.0288 -0.0785 512 CLA c C13 ? ? 1 +50036 C C14 . CLA AZ . 0.9227 1.0643 0.9710 0.1084 0.0247 -0.0810 512 CLA c C14 ? ? 1 +50037 C C15 . CLA AZ . 0.9471 1.0816 0.9725 0.1184 0.0349 -0.0807 512 CLA c C15 ? ? 1 +50038 C C16 . CLA AZ . 0.9544 1.0881 0.9825 0.1249 0.0432 -0.0802 512 CLA c C16 ? ? 1 +50039 C C17 . CLA AZ . 0.9815 1.1017 0.9893 0.1314 0.0485 -0.0828 512 CLA c C17 ? ? 1 +50040 C C18 . CLA AZ . 0.9917 1.1101 0.9988 0.1393 0.0579 -0.0826 512 CLA c C18 ? ? 1 +50041 C C19 . CLA AZ . 1.0201 1.1196 1.0078 0.1441 0.0594 -0.0875 512 CLA c C19 ? ? 1 +50042 C C20 . CLA AZ . 0.9755 1.1105 1.0017 0.1422 0.0650 -0.0781 512 CLA c C20 ? ? 1 +50043 C C1 . BCR BA . 0.9472 1.0266 0.9808 0.1204 0.0306 -0.0943 101 BCR y C1 ? ? 1 +50044 C C2 . BCR BA . 0.9621 1.0269 0.9857 0.1268 0.0347 -0.0967 101 BCR y C2 ? ? 1 +50045 C C3 . BCR BA . 0.9502 1.0207 0.9873 0.1285 0.0368 -0.0940 101 BCR y C3 ? ? 1 +50046 C C4 . BCR BA . 0.9304 1.0211 0.9843 0.1320 0.0420 -0.0889 101 BCR y C4 ? ? 1 +50047 C C5 . BCR BA . 0.9184 1.0227 0.9787 0.1282 0.0407 -0.0866 101 BCR y C5 ? ? 1 +50048 C C6 . BCR BA . 0.9262 1.0258 0.9777 0.1228 0.0354 -0.0888 101 BCR y C6 ? ? 1 +50049 C C7 . BCR BA . 0.9121 1.0265 0.9724 0.1190 0.0337 -0.0859 101 BCR y C7 ? ? 1 +50050 C C8 . BCR BA . 0.9085 1.0240 0.9678 0.1116 0.0267 -0.0869 101 BCR y C8 ? ? 1 +50051 C C9 . BCR BA . 0.8934 1.0231 0.9615 0.1083 0.0252 -0.0838 101 BCR y C9 ? ? 1 +50052 C C10 . BCR BA . 0.8885 1.0192 0.9577 0.1004 0.0170 -0.0851 101 BCR y C10 ? ? 1 +50053 C C11 . BCR BA . 0.8758 1.0190 0.9533 0.0961 0.0138 -0.0826 101 BCR y C11 ? ? 1 +50054 C C33 . BCR BA . 0.8959 1.0200 0.9742 0.1309 0.0455 -0.0815 101 BCR y C33 ? ? 1 +50055 C C31 . BCR BA . 0.9611 1.0335 0.9787 0.1210 0.0298 -0.0970 101 BCR y C31 ? ? 1 +50056 C C32 . BCR BA . 0.9426 1.0212 0.9821 0.1108 0.0224 -0.0954 101 BCR y C32 ? ? 1 +50057 C C34 . BCR BA . 0.8816 1.0253 0.9579 0.1129 0.0319 -0.0795 101 BCR y C34 ? ? 1 +50058 C C12 . BCR BA . 0.8724 1.0169 0.9529 0.0882 0.0054 -0.0841 101 BCR y C12 ? ? 1 +50059 C C13 . BCR BA . 0.8583 1.0155 0.9483 0.0834 0.0013 -0.0818 101 BCR y C13 ? ? 1 +50060 C C14 . BCR BA . 0.8534 1.0118 0.9481 0.0754 -0.0071 -0.0836 101 BCR y C14 ? ? 1 +50061 C C15 . BCR BA . 0.8397 1.0102 0.9449 0.0701 -0.0120 -0.0818 101 BCR y C15 ? ? 1 +50062 C C16 . BCR BA . 0.8337 1.0068 0.9455 0.0624 -0.0198 -0.0835 101 BCR y C16 ? ? 1 +50063 C C17 . BCR BA . 0.8224 1.0077 0.9445 0.0576 -0.0247 -0.0818 101 BCR y C17 ? ? 1 +50064 C C18 . BCR BA . 0.8203 1.0095 0.9502 0.0498 -0.0325 -0.0835 101 BCR y C18 ? ? 1 +50065 C C19 . BCR BA . 0.8085 1.0116 0.9496 0.0465 -0.0360 -0.0810 101 BCR y C19 ? ? 1 +50066 C C20 . BCR BA . 0.8041 1.0144 0.9558 0.0393 -0.0428 -0.0818 101 BCR y C20 ? ? 1 +50067 C C21 . BCR BA . 0.7973 1.0204 0.9576 0.0372 -0.0460 -0.0794 101 BCR y C21 ? ? 1 +50068 C C22 . BCR BA . 0.7930 1.0249 0.9643 0.0305 -0.0529 -0.0801 101 BCR y C22 ? ? 1 +50069 C C23 . BCR BA . 0.7880 1.0299 0.9630 0.0304 -0.0557 -0.0781 101 BCR y C23 ? ? 1 +50070 C C24 . BCR BA . 0.7788 1.0314 0.9655 0.0250 -0.0617 -0.0779 101 BCR y C24 ? ? 1 +50071 C C25 . BCR BA . 0.7744 1.0359 0.9633 0.0250 -0.0653 -0.0763 101 BCR y C25 ? ? 1 +50072 C C26 . BCR BA . 0.7834 1.0396 0.9581 0.0290 -0.0664 -0.0771 101 BCR y C26 ? ? 1 +50073 C C27 . BCR BA . 0.7811 1.0468 0.9584 0.0304 -0.0680 -0.0740 101 BCR y C27 ? ? 1 +50074 C C28 . BCR BA . 0.7621 1.0438 0.9593 0.0277 -0.0673 -0.0697 101 BCR y C28 ? ? 1 +50075 C C29 . BCR BA . 0.7553 1.0412 0.9654 0.0211 -0.0711 -0.0717 101 BCR y C29 ? ? 1 +50076 C C30 . BCR BA . 0.7609 1.0382 0.9694 0.0209 -0.0669 -0.0731 101 BCR y C30 ? ? 1 +50077 C C35 . BCR BA . 0.8495 1.0192 0.9450 0.0867 0.0060 -0.0774 101 BCR y C35 ? ? 1 +50078 C C36 . BCR BA . 0.8308 1.0088 0.9565 0.0451 -0.0369 -0.0883 101 BCR y C36 ? ? 1 +50079 C C37 . BCR BA . 0.7948 1.0242 0.9726 0.0240 -0.0568 -0.0831 101 BCR y C37 ? ? 1 +50080 C C38 . BCR BA . 0.7994 1.0395 0.9538 0.0326 -0.0659 -0.0810 101 BCR y C38 ? ? 1 +50081 C C39 . BCR BA . 0.7464 1.0306 0.9649 0.0238 -0.0587 -0.0677 101 BCR y C39 ? ? 1 +50082 C C40 . BCR BA . 0.7597 1.0384 0.9775 0.0135 -0.0723 -0.0764 101 BCR y C40 ? ? 1 +50083 C CHA A PHO BB . 0.2340 0.7152 0.8620 -0.0473 -0.0080 0.0453 416 PHO A CHA ? ? 1 +50084 C CHA B PHO BB . 0.2402 0.7211 0.8680 -0.0474 -0.0079 0.0452 416 PHO A CHA ? ? 1 +50085 C CHB A PHO BB . 0.2182 0.7141 0.8586 -0.0482 -0.0146 0.0354 416 PHO A CHB ? ? 1 +50086 C CHB B PHO BB . 0.2248 0.7203 0.8650 -0.0482 -0.0146 0.0354 416 PHO A CHB ? ? 1 +50087 C CHC A PHO BB . 0.1786 0.7124 0.8364 -0.0389 -0.0190 0.0377 416 PHO A CHC ? ? 1 +50088 C CHC B PHO BB . 0.1834 0.7171 0.8412 -0.0391 -0.0190 0.0377 416 PHO A CHC ? ? 1 +50089 C CHD A PHO BB . 0.1931 0.7139 0.8390 -0.0368 -0.0144 0.0467 416 PHO A CHD ? ? 1 +50090 C CHD B PHO BB . 0.1978 0.7185 0.8438 -0.0370 -0.0143 0.0467 416 PHO A CHD ? ? 1 +50091 N NA A PHO BB . 0.2229 0.7148 0.8592 -0.0474 -0.0116 0.0405 416 PHO A NA ? ? 1 +50092 N NA B PHO BB . 0.2299 0.7217 0.8662 -0.0474 -0.0116 0.0405 416 PHO A NA ? ? 1 +50093 C C1A A PHO BB . 0.2340 0.7155 0.8641 -0.0491 -0.0091 0.0424 416 PHO A C1A ? ? 1 +50094 C C1A B PHO BB . 0.2408 0.7221 0.8709 -0.0491 -0.0090 0.0424 416 PHO A C1A ? ? 1 +50095 C C2A A PHO BB . 0.2461 0.7165 0.8720 -0.0530 -0.0076 0.0410 416 PHO A C2A ? ? 1 +50096 C C2A B PHO BB . 0.2541 0.7243 0.8798 -0.0531 -0.0076 0.0409 416 PHO A C2A ? ? 1 +50097 C C3A A PHO BB . 0.2421 0.7159 0.8704 -0.0516 -0.0101 0.0380 416 PHO A C3A ? ? 1 +50098 C C3A B PHO BB . 0.2505 0.7241 0.8787 -0.0516 -0.0101 0.0379 416 PHO A C3A ? ? 1 +50099 C C4A A PHO BB . 0.2266 0.7148 0.8623 -0.0490 -0.0123 0.0379 416 PHO A C4A ? ? 1 +50100 C C4A B PHO BB . 0.2339 0.7219 0.8695 -0.0490 -0.0123 0.0379 416 PHO A C4A ? ? 1 +50101 C CMA A PHO BB . 0.2513 0.7153 0.8720 -0.0463 -0.0108 0.0378 416 PHO A CMA ? ? 1 +50102 C CMA B PHO BB . 0.2607 0.7246 0.8814 -0.0465 -0.0108 0.0377 416 PHO A CMA ? ? 1 +50103 C CAA A PHO BB . 0.2481 0.7190 0.8775 -0.0606 -0.0053 0.0405 416 PHO A CAA ? ? 1 +50104 C CAA B PHO BB . 0.2559 0.7269 0.8854 -0.0607 -0.0053 0.0404 416 PHO A CAA ? ? 1 +50105 C CBA A PHO BB . 0.2601 0.7207 0.8861 -0.0651 -0.0040 0.0386 416 PHO A CBA ? ? 1 +50106 C CBA B PHO BB . 0.2691 0.7290 0.8947 -0.0653 -0.0037 0.0388 416 PHO A CBA ? ? 1 +50107 C CGA A PHO BB . 0.2596 0.7242 0.8919 -0.0730 -0.0025 0.0371 416 PHO A CGA ? ? 1 +50108 C CGA B PHO BB . 0.2688 0.7330 0.9009 -0.0731 -0.0023 0.0372 416 PHO A CGA ? ? 1 +50109 O O1A A PHO BB . 0.2497 0.7253 0.8896 -0.0752 -0.0025 0.0370 416 PHO A O1A ? ? 1 +50110 O O1A B PHO BB . 0.2584 0.7338 0.8982 -0.0753 -0.0024 0.0372 416 PHO A O1A ? ? 1 +50111 O O2A A PHO BB . 0.2725 0.7268 0.9011 -0.0772 -0.0010 0.0356 416 PHO A O2A ? ? 1 +50112 O O2A B PHO BB . 0.2828 0.7368 0.9113 -0.0774 -0.0008 0.0358 416 PHO A O2A ? ? 1 +50113 N NB A PHO BB . 0.1981 0.7125 0.8467 -0.0433 -0.0165 0.0373 416 PHO A NB ? ? 1 +50114 N NB B PHO BB . 0.2034 0.7177 0.8520 -0.0435 -0.0165 0.0372 416 PHO A NB ? ? 1 +50115 C C1B A PHO BB . 0.2054 0.7130 0.8515 -0.0457 -0.0164 0.0352 416 PHO A C1B ? ? 1 +50116 C C1B B PHO BB . 0.2113 0.7186 0.8573 -0.0457 -0.0164 0.0351 416 PHO A C1B ? ? 1 +50117 C C2B A PHO BB . 0.1984 0.7129 0.8485 -0.0450 -0.0184 0.0327 416 PHO A C2B ? ? 1 +50118 C C2B B PHO BB . 0.2045 0.7184 0.8542 -0.0450 -0.0184 0.0327 416 PHO A C2B ? ? 1 +50119 C C3B A PHO BB . 0.1875 0.7126 0.8424 -0.0424 -0.0195 0.0335 416 PHO A C3B ? ? 1 +50120 C C3B B PHO BB . 0.1931 0.7178 0.8478 -0.0423 -0.0195 0.0334 416 PHO A C3B ? ? 1 +50121 C C4B A PHO BB . 0.1873 0.7125 0.8415 -0.0414 -0.0184 0.0363 416 PHO A C4B ? ? 1 +50122 C C4B B PHO BB . 0.1923 0.7173 0.8464 -0.0416 -0.0184 0.0362 416 PHO A C4B ? ? 1 +50123 C CMB A PHO BB . 0.2031 0.7133 0.8516 -0.0469 -0.0192 0.0298 416 PHO A CMB ? ? 1 +50124 C CMB B PHO BB . 0.2096 0.7187 0.8574 -0.0466 -0.0191 0.0298 416 PHO A CMB ? ? 1 +50125 C CAB A PHO BB . 0.1789 0.7129 0.8383 -0.0411 -0.0213 0.0318 416 PHO A CAB ? ? 1 +50126 C CAB B PHO BB . 0.1845 0.7181 0.8436 -0.0409 -0.0213 0.0317 416 PHO A CAB ? ? 1 +50127 C CBB A PHO BB . 0.1796 0.7133 0.8392 -0.0423 -0.0223 0.0292 416 PHO A CBB ? ? 1 +50128 C CBB B PHO BB . 0.1843 0.7184 0.8441 -0.0423 -0.0224 0.0292 416 PHO A CBB ? ? 1 +50129 N NC A PHO BB . 0.1881 0.7130 0.8394 -0.0386 -0.0163 0.0421 416 PHO A NC ? ? 1 +50130 N NC B PHO BB . 0.1925 0.7174 0.8439 -0.0389 -0.0163 0.0421 416 PHO A NC ? ? 1 +50131 C C1C A PHO BB . 0.1788 0.7125 0.8353 -0.0374 -0.0182 0.0403 416 PHO A C1C ? ? 1 +50132 C C1C B PHO BB . 0.1833 0.7170 0.8398 -0.0376 -0.0182 0.0403 416 PHO A C1C ? ? 1 +50133 C C2C A PHO BB . 0.1703 0.7125 0.8299 -0.0340 -0.0193 0.0414 416 PHO A C2C ? ? 1 +50134 C C2C B PHO BB . 0.1746 0.7166 0.8342 -0.0342 -0.0193 0.0414 416 PHO A C2C ? ? 1 +50135 C C3C A PHO BB . 0.1744 0.7131 0.8308 -0.0334 -0.0182 0.0439 416 PHO A C3C ? ? 1 +50136 C C3C B PHO BB . 0.1786 0.7174 0.8352 -0.0337 -0.0182 0.0438 416 PHO A C3C ? ? 1 +50137 C C4C A PHO BB . 0.1852 0.7132 0.8364 -0.0364 -0.0162 0.0443 416 PHO A C4C ? ? 1 +50138 C C4C B PHO BB . 0.1898 0.7178 0.8411 -0.0366 -0.0161 0.0443 416 PHO A C4C ? ? 1 +50139 C CMC A PHO BB . 0.1605 0.7124 0.8253 -0.0318 -0.0211 0.0401 416 PHO A CMC ? ? 1 +50140 C CMC B PHO BB . 0.1649 0.7165 0.8295 -0.0318 -0.0211 0.0401 416 PHO A CMC ? ? 1 +50141 C CAC A PHO BB . 0.1698 0.7140 0.8272 -0.0302 -0.0189 0.0456 416 PHO A CAC ? ? 1 +50142 C CAC B PHO BB . 0.1740 0.7183 0.8316 -0.0306 -0.0188 0.0456 416 PHO A CAC ? ? 1 +50143 C CBC A PHO BB . 0.1680 0.7144 0.8267 -0.0336 -0.0175 0.0471 416 PHO A CBC ? ? 1 +50144 C CBC B PHO BB . 0.1720 0.7187 0.8311 -0.0340 -0.0174 0.0471 416 PHO A CBC ? ? 1 +50145 N ND A PHO BB . 0.2101 0.7142 0.8492 -0.0419 -0.0119 0.0452 416 PHO A ND ? ? 1 +50146 N ND B PHO BB . 0.2153 0.7191 0.8544 -0.0421 -0.0118 0.0452 416 PHO A ND ? ? 1 +50147 C C1D A PHO BB . 0.2054 0.7144 0.8451 -0.0391 -0.0122 0.0473 416 PHO A C1D ? ? 1 +50148 C C1D B PHO BB . 0.2105 0.7193 0.8503 -0.0394 -0.0121 0.0472 416 PHO A C1D ? ? 1 +50149 C C2D A PHO BB . 0.2157 0.7152 0.8484 -0.0392 -0.0100 0.0498 416 PHO A C2D ? ? 1 +50150 C C2D B PHO BB . 0.2212 0.7204 0.8538 -0.0393 -0.0100 0.0498 416 PHO A C2D ? ? 1 +50151 C C3D A PHO BB . 0.2269 0.7153 0.8548 -0.0424 -0.0081 0.0493 416 PHO A C3D ? ? 1 +50152 C C3D B PHO BB . 0.2326 0.7206 0.8603 -0.0425 -0.0081 0.0492 416 PHO A C3D ? ? 1 +50153 C C4D A PHO BB . 0.2230 0.7148 0.8552 -0.0440 -0.0095 0.0463 416 PHO A C4D ? ? 1 +50154 C C4D B PHO BB . 0.2285 0.7200 0.8607 -0.0442 -0.0094 0.0463 416 PHO A C4D ? ? 1 +50155 C CMD A PHO BB . 0.2152 0.7158 0.8455 -0.0364 -0.0098 0.0525 416 PHO A CMD ? ? 1 +50156 C CMD B PHO BB . 0.2206 0.7209 0.8508 -0.0365 -0.0098 0.0524 416 PHO A CMD ? ? 1 +50157 C CAD A PHO BB . 0.2418 0.7160 0.8615 -0.0447 -0.0053 0.0505 416 PHO A CAD ? ? 1 +50158 C CAD B PHO BB . 0.2477 0.7215 0.8672 -0.0447 -0.0052 0.0505 416 PHO A CAD ? ? 1 +50159 O OBD A PHO BB . 0.2500 0.7166 0.8632 -0.0439 -0.0034 0.0531 416 PHO A OBD ? ? 1 +50160 O OBD B PHO BB . 0.2561 0.7222 0.8690 -0.0439 -0.0034 0.0530 416 PHO A OBD ? ? 1 +50161 C CBD A PHO BB . 0.2468 0.7160 0.8667 -0.0482 -0.0050 0.0479 416 PHO A CBD ? ? 1 +50162 C CBD B PHO BB . 0.2529 0.7216 0.8725 -0.0481 -0.0050 0.0479 416 PHO A CBD ? ? 1 +50163 C CGD A PHO BB . 0.2607 0.7162 0.8709 -0.0444 -0.0049 0.0485 416 PHO A CGD ? ? 1 +50164 C CGD B PHO BB . 0.2671 0.7221 0.8769 -0.0443 -0.0049 0.0484 416 PHO A CGD ? ? 1 +50165 O O1D A PHO BB . 0.2734 0.7165 0.8762 -0.0461 -0.0024 0.0497 416 PHO A O1D ? ? 1 +50166 O O1D B PHO BB . 0.2796 0.7221 0.8822 -0.0462 -0.0025 0.0495 416 PHO A O1D ? ? 1 +50167 O O2D A PHO BB . 0.2583 0.7168 0.8688 -0.0387 -0.0077 0.0475 416 PHO A O2D ? ? 1 +50168 O O2D B PHO BB . 0.2650 0.7234 0.8751 -0.0382 -0.0077 0.0477 416 PHO A O2D ? ? 1 +50169 C CED A PHO BB . 0.2705 0.7169 0.8718 -0.0337 -0.0079 0.0483 416 PHO A CED ? ? 1 +50170 C CED B PHO BB . 0.2771 0.7236 0.8783 -0.0333 -0.0080 0.0482 416 PHO A CED ? ? 1 +50171 C C1 A PHO BB . 0.2732 0.7311 0.9083 -0.0850 0.0004 0.0337 416 PHO A C1 ? ? 1 +50172 C C1 B PHO BB . 0.2830 0.7405 0.9179 -0.0851 0.0005 0.0337 416 PHO A C1 ? ? 1 +50173 C C2 A PHO BB . 0.2678 0.7334 0.9094 -0.0869 -0.0028 0.0299 416 PHO A C2 ? ? 1 +50174 C C2 B PHO BB . 0.2756 0.7423 0.9177 -0.0865 -0.0029 0.0300 416 PHO A C2 ? ? 1 +50175 C C3 A PHO BB . 0.2577 0.7367 0.9092 -0.0898 -0.0041 0.0282 416 PHO A C3 ? ? 1 +50176 C C3 B PHO BB . 0.2656 0.7454 0.9176 -0.0898 -0.0041 0.0283 416 PHO A C3 ? ? 1 +50177 C C4 A PHO BB . 0.2508 0.7385 0.9083 -0.0918 -0.0023 0.0299 416 PHO A C4 ? ? 1 +50178 C C4 B PHO BB . 0.2602 0.7478 0.9181 -0.0926 -0.0019 0.0299 416 PHO A C4 ? ? 1 +50179 C C5 A PHO BB . 0.2524 0.7388 0.9094 -0.0906 -0.0078 0.0245 416 PHO A C5 ? ? 1 +50180 C C5 B PHO BB . 0.2596 0.7470 0.9172 -0.0905 -0.0078 0.0246 416 PHO A C5 ? ? 1 +50181 C C6 A PHO BB . 0.2386 0.7389 0.9020 -0.0872 -0.0105 0.0245 416 PHO A C6 ? ? 1 +50182 C C6 B PHO BB . 0.2454 0.7470 0.9097 -0.0873 -0.0104 0.0246 416 PHO A C6 ? ? 1 +50183 C C7 A PHO BB . 0.2331 0.7416 0.9025 -0.0886 -0.0140 0.0209 416 PHO A C7 ? ? 1 +50184 C C7 B PHO BB . 0.2397 0.7491 0.9096 -0.0885 -0.0140 0.0210 416 PHO A C7 ? ? 1 +50185 C C8 A PHO BB . 0.2207 0.7410 0.8944 -0.0841 -0.0167 0.0211 416 PHO A C8 ? ? 1 +50186 C C8 B PHO BB . 0.2271 0.7482 0.9012 -0.0840 -0.0167 0.0212 416 PHO A C8 ? ? 1 +50187 C C9 A PHO BB . 0.2129 0.7409 0.8908 -0.0835 -0.0152 0.0238 416 PHO A C9 ? ? 1 +50188 C C9 B PHO BB . 0.2189 0.7483 0.8977 -0.0836 -0.0154 0.0237 416 PHO A C9 ? ? 1 +50189 C C10 A PHO BB . 0.2161 0.7443 0.8955 -0.0860 -0.0201 0.0175 416 PHO A C10 ? ? 1 +50190 C C10 B PHO BB . 0.2222 0.7511 0.9019 -0.0859 -0.0202 0.0175 416 PHO A C10 ? ? 1 +50191 C C11 A PHO BB . 0.2246 0.7454 0.8997 -0.0867 -0.0218 0.0146 416 PHO A C11 ? ? 1 +50192 C C11 B PHO BB . 0.2305 0.7517 0.9057 -0.0865 -0.0218 0.0146 416 PHO A C11 ? ? 1 +50193 C C12 A PHO BB . 0.2276 0.7420 0.8950 -0.0807 -0.0224 0.0154 416 PHO A C12 ? ? 1 +50194 C C12 B PHO BB . 0.2335 0.7481 0.9010 -0.0805 -0.0223 0.0155 416 PHO A C12 ? ? 1 +50195 C C13 A PHO BB . 0.2368 0.7427 0.8989 -0.0810 -0.0238 0.0124 416 PHO A C13 ? ? 1 +50196 C C13 B PHO BB . 0.2420 0.7483 0.9042 -0.0807 -0.0238 0.0126 416 PHO A C13 ? ? 1 +50197 C C14 A PHO BB . 0.2501 0.7432 0.9070 -0.0845 -0.0214 0.0123 416 PHO A C14 ? ? 1 +50198 C C14 B PHO BB . 0.2550 0.7486 0.9121 -0.0844 -0.0215 0.0124 416 PHO A C14 ? ? 1 +50199 C C15 A PHO BB . 0.2366 0.7404 0.8933 -0.0744 -0.0250 0.0128 416 PHO A C15 ? ? 1 +50200 C C15 B PHO BB . 0.2418 0.7457 0.8984 -0.0740 -0.0248 0.0131 416 PHO A C15 ? ? 1 +50201 C C16 A PHO BB . 0.2254 0.7406 0.8864 -0.0713 -0.0274 0.0124 416 PHO A C16 ? ? 1 +50202 C C16 B PHO BB . 0.2307 0.7457 0.8914 -0.0708 -0.0272 0.0127 416 PHO A C16 ? ? 1 +50203 C C17 A PHO BB . 0.2254 0.7384 0.8813 -0.0651 -0.0280 0.0126 416 PHO A C17 ? ? 1 +50204 C C17 B PHO BB . 0.2309 0.7434 0.8863 -0.0649 -0.0280 0.0126 416 PHO A C17 ? ? 1 +50205 C C18 A PHO BB . 0.2166 0.7392 0.8756 -0.0628 -0.0304 0.0114 416 PHO A C18 ? ? 1 +50206 C C18 B PHO BB . 0.2229 0.7444 0.8812 -0.0629 -0.0305 0.0111 416 PHO A C18 ? ? 1 +50207 C C19 A PHO BB . 0.2184 0.7378 0.8719 -0.0571 -0.0305 0.0114 416 PHO A C19 ? ? 1 +50208 C C19 B PHO BB . 0.2246 0.7430 0.8775 -0.0572 -0.0306 0.0110 416 PHO A C19 ? ? 1 +50209 C C20 A PHO BB . 0.2052 0.7388 0.8708 -0.0624 -0.0303 0.0135 416 PHO A C20 ? ? 1 +50210 C C20 B PHO BB . 0.2111 0.7442 0.8762 -0.0625 -0.0307 0.0130 416 PHO A C20 ? ? 1 +50211 C C1 . HTG BC . 0.7345 1.4640 1.4894 0.0099 -0.0133 0.0257 622 HTG B C1 ? ? 1 +50212 S S1 . HTG BC . 0.6227 1.3601 1.3845 0.0103 -0.0080 0.0246 622 HTG B S1 ? ? 1 +50213 C C2 . HTG BC . 0.6934 1.4290 1.4554 0.0082 -0.0163 0.0248 622 HTG B C2 ? ? 1 +50214 O O2 . HTG BC . 0.6316 1.3675 1.3954 0.0028 -0.0147 0.0258 622 HTG B O2 ? ? 1 +50215 C C3 . HTG BC . 0.6879 1.4183 1.4449 0.0098 -0.0210 0.0250 622 HTG B C3 ? ? 1 +50216 O O3 . HTG BC . 0.6117 1.3488 1.3758 0.0094 -0.0238 0.0235 622 HTG B O3 ? ? 1 +50217 C C4 . HTG BC . 0.7332 1.4593 1.4845 0.0153 -0.0225 0.0246 622 HTG B C4 ? ? 1 +50218 O O4 . HTG BC . 0.7165 1.4360 1.4616 0.0161 -0.0263 0.0252 622 HTG B O4 ? ? 1 +50219 C C5 . HTG BC . 0.7726 1.4920 1.5167 0.0159 -0.0195 0.0257 622 HTG B C5 ? ? 1 +50220 O O5 . HTG BC . 0.7960 1.5211 1.5454 0.0149 -0.0153 0.0252 622 HTG B O5 ? ? 1 +50221 C C6 . HTG BC . 0.8134 1.5284 1.5521 0.0215 -0.0206 0.0251 622 HTG B C6 ? ? 1 +50222 O O6 . HTG BC . 0.8306 1.5539 1.5764 0.0254 -0.0201 0.0231 622 HTG B O6 ? ? 1 +50223 C C1' . HTG BC . 0.6296 1.3571 1.3809 0.0090 -0.0045 0.0266 622 HTG B C1' ? ? 1 +50224 C C2' . HTG BC . 0.6274 1.3581 1.3821 0.0051 -0.0002 0.0272 622 HTG B C2' ? ? 1 +50225 C C3' . HTG BC . 0.6156 1.3378 1.3613 0.0034 0.0021 0.0290 622 HTG B C3' ? ? 1 +50226 C C4' . HTG BC . 0.6258 1.3448 1.3696 -0.0014 0.0018 0.0307 622 HTG B C4' ? ? 1 +50227 C C5' . HTG BC . 0.6333 1.3503 1.3747 -0.0041 0.0061 0.0319 622 HTG B C5' ? ? 1 +50228 C C6' . HTG BC . 0.6102 1.3349 1.3593 -0.0049 0.0103 0.0310 622 HTG B C6' ? ? 1 +50229 C C7' . HTG BC . 0.6104 1.3331 1.3580 -0.0091 0.0137 0.0325 622 HTG B C7' ? ? 1 +50230 C C1A A DGD BD . 0.2860 0.9824 1.0423 0.0238 0.0372 -0.0055 517 DGD C C1A ? ? 1 +50231 C C1A B DGD BD . 0.3050 1.0012 1.0609 0.0236 0.0374 -0.0055 517 DGD C C1A ? ? 1 +50232 C C2A A DGD BD . 0.3054 1.0073 1.0684 0.0255 0.0316 -0.0049 517 DGD C C2A ? ? 1 +50233 C C2A B DGD BD . 0.3387 1.0404 1.1014 0.0252 0.0318 -0.0048 517 DGD C C2A ? ? 1 +50234 C C3A A DGD BD . 0.3244 1.0388 1.0989 0.0229 0.0323 -0.0056 517 DGD C C3A ? ? 1 +50235 C C3A B DGD BD . 0.3781 1.0924 1.1524 0.0228 0.0324 -0.0056 517 DGD C C3A ? ? 1 +50236 C C4A A DGD BD . 0.3454 1.0652 1.1261 0.0251 0.0265 -0.0052 517 DGD C C4A ? ? 1 +50237 C C4A B DGD BD . 0.4237 1.1433 1.2043 0.0251 0.0267 -0.0052 517 DGD C C4A ? ? 1 +50238 C C5A A DGD BD . 0.3766 1.1003 1.1623 0.0318 0.0257 -0.0072 517 DGD C C5A ? ? 1 +50239 C C5A B DGD BD . 0.4832 1.2064 1.2684 0.0319 0.0258 -0.0072 517 DGD C C5A ? ? 1 +50240 C C6A A DGD BD . 0.4000 1.1341 1.1960 0.0338 0.0217 -0.0079 517 DGD C C6A ? ? 1 +50241 C C6A B DGD BD . 0.5395 1.2723 1.3344 0.0340 0.0214 -0.0077 517 DGD C C6A ? ? 1 +50242 C C7A A DGD BD . 0.4342 1.1754 1.2376 0.0402 0.0223 -0.0107 517 DGD C C7A ? ? 1 +50243 C C7A B DGD BD . 0.6125 1.3525 1.4149 0.0403 0.0223 -0.0105 517 DGD C C7A ? ? 1 +50244 C C8A A DGD BD . 0.4630 1.2124 1.2747 0.0433 0.0169 -0.0111 517 DGD C C8A ? ? 1 +50245 C C8A B DGD BD . 0.6870 1.4354 1.4978 0.0435 0.0171 -0.0111 517 DGD C C8A ? ? 1 +50246 C C9A A DGD BD . 0.4811 1.2456 1.3064 0.0413 0.0185 -0.0136 517 DGD C C9A ? ? 1 +50247 C C9A B DGD BD . 0.7394 1.5030 1.5639 0.0415 0.0185 -0.0134 517 DGD C C9A ? ? 1 +50248 C CAA A DGD BD . 0.5010 1.2758 1.3365 0.0475 0.0155 -0.0159 517 DGD C CAA ? ? 1 +50249 C CAA B DGD BD . 0.7864 1.5603 1.6211 0.0476 0.0155 -0.0158 517 DGD C CAA ? ? 1 +50250 C CBA A DGD BD . 0.5247 1.2921 1.3538 0.0519 0.0089 -0.0139 517 DGD C CBA ? ? 1 +50251 C CBA B DGD BD . 0.8404 1.6083 1.6700 0.0522 0.0087 -0.0140 517 DGD C CBA ? ? 1 +50252 C CCA A DGD BD . 0.5549 1.3254 1.3878 0.0602 0.0075 -0.0160 517 DGD C CCA ? ? 1 +50253 C CCA B DGD BD . 0.9069 1.6771 1.7395 0.0605 0.0075 -0.0160 517 DGD C CCA ? ? 1 +50254 C CDA A DGD BD . 0.5719 1.3299 1.3940 0.0646 0.0028 -0.0136 517 DGD C CDA ? ? 1 +50255 C CDA B DGD BD . 0.9377 1.6960 1.7600 0.0649 0.0024 -0.0136 517 DGD C CDA ? ? 1 +50256 C CEA A DGD BD . 0.5790 1.3415 1.4059 0.0731 -0.0002 -0.0156 517 DGD C CEA ? ? 1 +50257 C CEA B DGD BD . 0.9388 1.7018 1.7662 0.0735 -0.0003 -0.0157 517 DGD C CEA ? ? 1 +50258 C CFA A DGD BD . 0.5870 1.3354 1.4022 0.0782 -0.0017 -0.0140 517 DGD C CFA ? ? 1 +50259 C CFA B DGD BD . 0.9422 1.6914 1.7581 0.0788 -0.0016 -0.0143 517 DGD C CFA ? ? 1 +50260 C CGA A DGD BD . 0.5922 1.3454 1.4125 0.0869 -0.0027 -0.0166 517 DGD C CGA ? ? 1 +50261 C CGA B DGD BD . 0.9318 1.6862 1.7532 0.0875 -0.0026 -0.0170 517 DGD C CGA ? ? 1 +50262 O O1A A DGD BD . 0.2741 0.9708 1.0291 0.0192 0.0402 -0.0051 517 DGD C O1A ? ? 1 +50263 O O1A B DGD BD . 0.2848 0.9811 1.0393 0.0190 0.0405 -0.0051 517 DGD C O1A ? ? 1 +50264 C C1B A DGD BD . 0.2610 0.9639 1.0252 0.0415 0.0463 -0.0136 517 DGD C C1B ? ? 1 +50265 C C1B B DGD BD . 0.2803 0.9835 1.0447 0.0420 0.0469 -0.0139 517 DGD C C1B ? ? 1 +50266 C C2B A DGD BD . 0.2695 0.9717 1.0348 0.0486 0.0438 -0.0147 517 DGD C C2B ? ? 1 +50267 C C2B B DGD BD . 0.2948 0.9970 1.0602 0.0488 0.0436 -0.0147 517 DGD C C2B ? ? 1 +50268 C C3B A DGD BD . 0.2758 0.9687 1.0338 0.0489 0.0372 -0.0121 517 DGD C C3B ? ? 1 +50269 C C3B B DGD BD . 0.3070 1.0005 1.0656 0.0488 0.0370 -0.0121 517 DGD C C3B ? ? 1 +50270 C C4B A DGD BD . 0.2746 0.9754 1.0407 0.0476 0.0325 -0.0110 517 DGD C C4B ? ? 1 +50271 C C4B B DGD BD . 0.3122 1.0144 1.0796 0.0476 0.0325 -0.0111 517 DGD C C4B ? ? 1 +50272 C C5B A DGD BD . 0.2824 0.9748 1.0423 0.0498 0.0264 -0.0089 517 DGD C C5B ? ? 1 +50273 C C5B B DGD BD . 0.3259 1.0200 1.0873 0.0494 0.0262 -0.0089 517 DGD C C5B ? ? 1 +50274 C C6B A DGD BD . 0.2862 0.9704 1.0380 0.0441 0.0240 -0.0061 517 DGD C C6B ? ? 1 +50275 C C6B B DGD BD . 0.3366 1.0220 1.0894 0.0437 0.0241 -0.0061 517 DGD C C6B ? ? 1 +50276 C C7B A DGD BD . 0.2864 0.9743 1.0423 0.0431 0.0186 -0.0043 517 DGD C C7B ? ? 1 +50277 C C7B B DGD BD . 0.3440 1.0318 1.0997 0.0424 0.0185 -0.0041 517 DGD C C7B ? ? 1 +50278 C C8B A DGD BD . 0.2948 0.9709 1.0412 0.0433 0.0141 -0.0019 517 DGD C C8B ? ? 1 +50279 C C8B B DGD BD . 0.3585 1.0349 1.1054 0.0443 0.0141 -0.0022 517 DGD C C8B ? ? 1 +50280 C C9B A DGD BD . 0.2951 0.9746 1.0457 0.0449 0.0090 -0.0007 517 DGD C C9B ? ? 1 +50281 C C9B B DGD BD . 0.3608 1.0407 1.1118 0.0454 0.0089 -0.0009 517 DGD C C9B ? ? 1 +50282 C CAB A DGD BD . 0.3013 0.9688 1.0423 0.0452 0.0051 0.0016 517 DGD C CAB ? ? 1 +50283 C CAB B DGD BD . 0.3683 1.0361 1.1097 0.0458 0.0050 0.0014 517 DGD C CAB ? ? 1 +50284 C CBB A DGD BD . 0.2988 0.9691 1.0430 0.0461 0.0002 0.0031 517 DGD C CBB ? ? 1 +50285 C CBB B DGD BD . 0.3661 1.0367 1.1107 0.0466 0.0001 0.0029 517 DGD C CBB ? ? 1 +50286 C CCB A DGD BD . 0.3040 0.9623 1.0388 0.0458 -0.0034 0.0055 517 DGD C CCB ? ? 1 +50287 C CCB B DGD BD . 0.3716 1.0302 1.1067 0.0463 -0.0034 0.0054 517 DGD C CCB ? ? 1 +50288 C CDB A DGD BD . 0.3047 0.9666 1.0431 0.0475 -0.0077 0.0067 517 DGD C CDB ? ? 1 +50289 C CDB B DGD BD . 0.3746 1.0367 1.1132 0.0479 -0.0078 0.0067 517 DGD C CDB ? ? 1 +50290 C CEB A DGD BD . 0.3118 0.9624 1.0414 0.0473 -0.0112 0.0092 517 DGD C CEB ? ? 1 +50291 C CEB B DGD BD . 0.3835 1.0344 1.1133 0.0471 -0.0112 0.0093 517 DGD C CEB ? ? 1 +50292 C CFB A DGD BD . 0.3105 0.9654 1.0438 0.0489 -0.0152 0.0104 517 DGD C CFB ? ? 1 +50293 C CFB B DGD BD . 0.3831 1.0382 1.1165 0.0491 -0.0153 0.0104 517 DGD C CFB ? ? 1 +50294 C CGB A DGD BD . 0.3153 0.9590 1.0399 0.0492 -0.0183 0.0129 517 DGD C CGB ? ? 1 +50295 C CGB B DGD BD . 0.3849 1.0288 1.1098 0.0497 -0.0185 0.0128 517 DGD C CGB ? ? 1 +50296 O O1B A DGD BD . 0.2574 0.9711 1.0311 0.0390 0.0487 -0.0145 517 DGD C O1B ? ? 1 +50297 O O1B B DGD BD . 0.2770 0.9909 1.0508 0.0399 0.0503 -0.0152 517 DGD C O1B ? ? 1 +50298 O O1G A DGD BD . 0.2673 0.9573 1.0178 0.0283 0.0389 -0.0067 517 DGD C O1G ? ? 1 +50299 O O1G B DGD BD . 0.2777 0.9678 1.0283 0.0282 0.0390 -0.0068 517 DGD C O1G ? ? 1 +50300 C C1G A DGD BD . 0.2579 0.9438 1.0029 0.0274 0.0446 -0.0078 517 DGD C C1G ? ? 1 +50301 C C1G B DGD BD . 0.2646 0.9497 1.0089 0.0277 0.0444 -0.0078 517 DGD C C1G ? ? 1 +50302 C C2G A DGD BD . 0.2501 0.9431 1.0020 0.0319 0.0490 -0.0108 517 DGD C C2G ? ? 1 +50303 C C2G B DGD BD . 0.2537 0.9465 1.0054 0.0319 0.0489 -0.0108 517 DGD C C2G ? ? 1 +50304 O O2G A DGD BD . 0.2576 0.9481 1.0090 0.0377 0.0459 -0.0114 517 DGD C O2G ? ? 1 +50305 O O2G B DGD BD . 0.2668 0.9579 1.0189 0.0379 0.0459 -0.0115 517 DGD C O2G ? ? 1 +50306 C C3G A DGD BD . 0.2459 0.9337 0.9909 0.0309 0.0553 -0.0118 517 DGD C C3G ? ? 1 +50307 C C3G B DGD BD . 0.2448 0.9321 0.9894 0.0311 0.0552 -0.0118 517 DGD C C3G ? ? 1 +50308 O O3G A DGD BD . 0.2299 0.9196 0.9751 0.0250 0.0576 -0.0108 517 DGD C O3G ? ? 1 +50309 O O3G B DGD BD . 0.2244 0.9142 0.9698 0.0253 0.0578 -0.0110 517 DGD C O3G ? ? 1 +50310 C C1D A DGD BD . 0.2273 0.9082 0.9620 0.0227 0.0618 -0.0105 517 DGD C C1D ? ? 1 +50311 C C1D B DGD BD . 0.2180 0.8990 0.9527 0.0227 0.0617 -0.0105 517 DGD C C1D ? ? 1 +50312 C C2D A DGD BD . 0.2200 0.9039 0.9561 0.0166 0.0638 -0.0094 517 DGD C C2D ? ? 1 +50313 C C2D B DGD BD . 0.2096 0.8937 0.9461 0.0167 0.0635 -0.0093 517 DGD C C2D ? ? 1 +50314 O O2D A DGD BD . 0.2133 0.8949 0.9479 0.0140 0.0577 -0.0069 517 DGD C O2D ? ? 1 +50315 O O2D B DGD BD . 0.2026 0.8847 0.9379 0.0142 0.0573 -0.0069 517 DGD C O2D ? ? 1 +50316 C C3D A DGD BD . 0.2257 0.9012 0.9512 0.0142 0.0690 -0.0092 517 DGD C C3D ? ? 1 +50317 C C3D B DGD BD . 0.2142 0.8901 0.9402 0.0142 0.0688 -0.0092 517 DGD C C3D ? ? 1 +50318 O O3D A DGD BD . 0.2225 0.9007 0.9494 0.0088 0.0716 -0.0083 517 DGD C O3D ? ? 1 +50319 O O3D B DGD BD . 0.2107 0.8893 0.9381 0.0088 0.0713 -0.0082 517 DGD C O3D ? ? 1 +50320 C C4D A DGD BD . 0.2326 0.9105 0.9598 0.0174 0.0754 -0.0119 517 DGD C C4D ? ? 1 +50321 C C4D B DGD BD . 0.2206 0.8991 0.9484 0.0172 0.0753 -0.0119 517 DGD C C4D ? ? 1 +50322 O O4D A DGD BD . 0.2285 0.9204 0.9699 0.0169 0.0789 -0.0137 517 DGD C O4D ? ? 1 +50323 O O4D B DGD BD . 0.2165 0.9090 0.9586 0.0168 0.0787 -0.0137 517 DGD C O4D ? ? 1 +50324 C C5D A DGD BD . 0.2355 0.9101 0.9609 0.0234 0.0729 -0.0130 517 DGD C C5D ? ? 1 +50325 C C5D B DGD BD . 0.2234 0.8982 0.9489 0.0233 0.0729 -0.0130 517 DGD C C5D ? ? 1 +50326 O O5D A DGD BD . 0.2483 0.9125 0.9605 0.0265 0.0825 -0.0156 517 DGD C O5D ? ? 1 +50327 O O5D B DGD BD . 0.2332 0.8981 0.9462 0.0265 0.0826 -0.0156 517 DGD C O5D ? ? 1 +50328 C C6D A DGD BD . 0.2413 0.9178 0.9677 0.0269 0.0795 -0.0158 517 DGD C C6D ? ? 1 +50329 C C6D B DGD BD . 0.2279 0.9050 0.9550 0.0268 0.0795 -0.0158 517 DGD C C6D ? ? 1 +50330 O O6D A DGD BD . 0.2308 0.9132 0.9662 0.0258 0.0678 -0.0131 517 DGD C O6D ? ? 1 +50331 O O6D B DGD BD . 0.2206 0.9026 0.9556 0.0258 0.0677 -0.0130 517 DGD C O6D ? ? 1 +50332 C C1E A DGD BD . 0.2508 0.9172 0.9630 0.0244 0.0904 -0.0168 517 DGD C C1E ? ? 1 +50333 C C1E B DGD BD . 0.2350 0.9016 0.9475 0.0248 0.0906 -0.0169 517 DGD C C1E ? ? 1 +50334 C C2E A DGD BD . 0.2559 0.9101 0.9536 0.0207 0.0914 -0.0150 517 DGD C C2E ? ? 1 +50335 C C2E B DGD BD . 0.2394 0.8937 0.9373 0.0210 0.0915 -0.0151 517 DGD C C2E ? ? 1 +50336 O O2E A DGD BD . 0.2484 0.9030 0.9468 0.0161 0.0872 -0.0125 517 DGD C O2E ? ? 1 +50337 O O2E B DGD BD . 0.2315 0.8866 0.9305 0.0165 0.0872 -0.0126 517 DGD C O2E ? ? 1 +50338 C C3E A DGD BD . 0.2623 0.9035 0.9471 0.0239 0.0882 -0.0148 517 DGD C C3E ? ? 1 +50339 C C3E B DGD BD . 0.2451 0.8862 0.9298 0.0241 0.0883 -0.0149 517 DGD C C3E ? ? 1 +50340 O O3E A DGD BD . 0.2683 0.8980 0.9390 0.0209 0.0891 -0.0134 517 DGD C O3E ? ? 1 +50341 O O3E B DGD BD . 0.2499 0.8798 0.9209 0.0209 0.0891 -0.0134 517 DGD C O3E ? ? 1 +50342 C C4E A DGD BD . 0.2707 0.9115 0.9552 0.0293 0.0924 -0.0175 517 DGD C C4E ? ? 1 +50343 C C4E B DGD BD . 0.2540 0.8945 0.9380 0.0294 0.0926 -0.0176 517 DGD C C4E ? ? 1 +50344 O O4E A DGD BD . 0.2799 0.9176 0.9583 0.0280 0.1001 -0.0185 517 DGD C O4E ? ? 1 +50345 O O4E B DGD BD . 0.2627 0.9008 0.9414 0.0279 0.1004 -0.0185 517 DGD C O4E ? ? 1 +50346 C C5E A DGD BD . 0.2653 0.9199 0.9655 0.0327 0.0930 -0.0194 517 DGD C C5E ? ? 1 +50347 C C5E B DGD BD . 0.2488 0.9025 0.9482 0.0330 0.0928 -0.0195 517 DGD C C5E ? ? 1 +50348 O O6E A DGD BD . 0.2584 0.9253 0.9708 0.0291 0.0953 -0.0194 517 DGD C O6E ? ? 1 +50349 O O6E B DGD BD . 0.2422 0.9087 0.9544 0.0297 0.0950 -0.0195 517 DGD C O6E ? ? 1 +50350 C C6E A DGD BD . 0.2737 0.9292 0.9743 0.0374 0.0991 -0.0224 517 DGD C C6E ? ? 1 +50351 C C6E B DGD BD . 0.2567 0.9116 0.9569 0.0380 0.0987 -0.0225 517 DGD C C6E ? ? 1 +50352 O O5E A DGD BD . 0.2832 0.9253 0.9704 0.0406 0.0975 -0.0226 517 DGD C O5E ? ? 1 +50353 O O5E B DGD BD . 0.2666 0.9077 0.9526 0.0407 0.0976 -0.0226 517 DGD C O5E ? ? 1 +50354 C C1A . DGD BE . 0.1759 0.8616 0.9777 -0.1065 -0.0336 -0.0002 102 DGD H C1A ? ? 1 +50355 C C2A . DGD BE . 0.1962 0.8714 0.9935 -0.1108 -0.0310 -0.0001 102 DGD H C2A ? ? 1 +50356 C C3A . DGD BE . 0.2127 0.8820 1.0065 -0.1118 -0.0250 0.0036 102 DGD H C3A ? ? 1 +50357 C C4A . DGD BE . 0.2405 0.8970 1.0271 -0.1147 -0.0228 0.0043 102 DGD H C4A ? ? 1 +50358 C C5A . DGD BE . 0.2584 0.9079 1.0400 -0.1151 -0.0170 0.0083 102 DGD H C5A ? ? 1 +50359 C C6A . DGD BE . 0.2821 0.9178 1.0551 -0.1169 -0.0152 0.0093 102 DGD H C6A ? ? 1 +50360 C C7A . DGD BE . 0.3009 0.9305 1.0714 -0.1196 -0.0090 0.0122 102 DGD H C7A ? ? 1 +50361 C C8A . DGD BE . 0.3171 0.9318 1.0766 -0.1193 -0.0072 0.0143 102 DGD H C8A ? ? 1 +50362 C C9A . DGD BE . 0.3228 0.9313 1.0764 -0.1180 -0.0023 0.0186 102 DGD H C9A ? ? 1 +50363 C CAA . DGD BE . 0.3281 0.9263 1.0703 -0.1128 -0.0031 0.0214 102 DGD H CAA ? ? 1 +50364 C CBA . DGD BE . 0.3280 0.9235 1.0656 -0.1101 0.0004 0.0254 102 DGD H CBA ? ? 1 +50365 C CCA . DGD BE . 0.3316 0.9188 1.0592 -0.1044 -0.0008 0.0280 102 DGD H CCA ? ? 1 +50366 C CDA . DGD BE . 0.3345 0.9173 1.0563 -0.1020 0.0027 0.0319 102 DGD H CDA ? ? 1 +50367 C CEA . DGD BE . 0.3180 0.9114 1.0444 -0.0993 0.0023 0.0329 102 DGD H CEA ? ? 1 +50368 C CFA . DGD BE . 0.3092 0.8983 1.0278 -0.0936 0.0023 0.0363 102 DGD H CFA ? ? 1 +50369 C CGA . DGD BE . 0.2868 0.8861 1.0092 -0.0895 -0.0001 0.0366 102 DGD H CGA ? ? 1 +50370 O O1A . DGD BE . 0.1653 0.8537 0.9674 -0.1043 -0.0310 0.0024 102 DGD H O1A ? ? 1 +50371 C C1B . DGD BE . 0.1558 0.8683 0.9830 -0.1109 -0.0323 -0.0045 102 DGD H C1B ? ? 1 +50372 C C2B . DGD BE . 0.1597 0.8723 0.9882 -0.1122 -0.0261 -0.0016 102 DGD H C2B ? ? 1 +50373 C C3B . DGD BE . 0.1589 0.8754 0.9855 -0.1063 -0.0264 0.0009 102 DGD H C3B ? ? 1 +50374 C C4B . DGD BE . 0.1669 0.8844 0.9950 -0.1071 -0.0205 0.0036 102 DGD H C4B ? ? 1 +50375 C C5B . DGD BE . 0.1825 0.8878 1.0016 -0.1086 -0.0158 0.0071 102 DGD H C5B ? ? 1 +50376 C C6B . DGD BE . 0.1923 0.8895 1.0005 -0.1034 -0.0180 0.0098 102 DGD H C6B ? ? 1 +50377 C C7B . DGD BE . 0.2105 0.8977 1.0104 -0.1034 -0.0133 0.0137 102 DGD H C7B ? ? 1 +50378 C C8B . DGD BE . 0.2288 0.9043 1.0200 -0.1037 -0.0139 0.0145 102 DGD H C8B ? ? 1 +50379 C C9B . DGD BE . 0.2423 0.9160 1.0277 -0.0983 -0.0185 0.0149 102 DGD H C9B ? ? 1 +50380 C CAB . DGD BE . 0.2542 0.9274 1.0346 -0.0933 -0.0177 0.0182 102 DGD H CAB ? ? 1 +50381 C CBB . DGD BE . 0.2677 0.9373 1.0415 -0.0886 -0.0214 0.0188 102 DGD H CBB ? ? 1 +50382 C CCB . DGD BE . 0.2789 0.9555 1.0541 -0.0841 -0.0236 0.0193 102 DGD H CCB ? ? 1 +50383 C CDB . DGD BE . 0.2862 0.9632 1.0592 -0.0812 -0.0285 0.0176 102 DGD H CDB ? ? 1 +50384 C CEB . DGD BE . 0.2743 0.9577 1.0484 -0.0769 -0.0308 0.0178 102 DGD H CEB ? ? 1 +50385 C CFB . DGD BE . 0.2749 0.9534 1.0414 -0.0728 -0.0329 0.0191 102 DGD H CFB ? ? 1 +50386 C CGB . DGD BE . 0.2727 0.9451 1.0329 -0.0710 -0.0300 0.0225 102 DGD H CGB ? ? 1 +50387 O O1B . DGD BE . 0.1595 0.8676 0.9861 -0.1145 -0.0334 -0.0067 102 DGD H O1B ? ? 1 +50388 O O1G . DGD BE . 0.1684 0.8606 0.9736 -0.1048 -0.0393 -0.0036 102 DGD H O1G ? ? 1 +50389 C C1G . DGD BE . 0.1605 0.8623 0.9697 -0.1007 -0.0419 -0.0038 102 DGD H C1G ? ? 1 +50390 C C2G . DGD BE . 0.1575 0.8715 0.9793 -0.1037 -0.0422 -0.0069 102 DGD H C2G ? ? 1 +50391 O O2G . DGD BE . 0.1497 0.8670 0.9757 -0.1050 -0.0370 -0.0048 102 DGD H O2G ? ? 1 +50392 C C3G . DGD BE . 0.1548 0.8777 0.9798 -0.0990 -0.0472 -0.0085 102 DGD H C3G ? ? 1 +50393 O O3G . DGD BE . 0.1641 0.8852 0.9866 -0.0985 -0.0525 -0.0114 102 DGD H O3G ? ? 1 +50394 C C1D . DGD BE . 0.1720 0.8932 0.9890 -0.0924 -0.0565 -0.0108 102 DGD H C1D ? ? 1 +50395 C C2D . DGD BE . 0.1797 0.8975 0.9929 -0.0923 -0.0616 -0.0138 102 DGD H C2D ? ? 1 +50396 O O2D . DGD BE . 0.1835 0.8902 0.9898 -0.0949 -0.0595 -0.0129 102 DGD H O2D ? ? 1 +50397 C C3D . DGD BE . 0.1830 0.8995 0.9891 -0.0858 -0.0655 -0.0129 102 DGD H C3D ? ? 1 +50398 O O3D . DGD BE . 0.1913 0.9039 0.9931 -0.0857 -0.0700 -0.0157 102 DGD H O3D ? ? 1 +50399 C C4D . DGD BE . 0.1828 0.9100 0.9951 -0.0825 -0.0676 -0.0136 102 DGD H C4D ? ? 1 +50400 O O4D . DGD BE . 0.1909 0.9268 1.0122 -0.0845 -0.0717 -0.0182 102 DGD H O4D ? ? 1 +50401 C C5D . DGD BE . 0.1852 0.9160 1.0022 -0.0832 -0.0624 -0.0109 102 DGD H C5D ? ? 1 +50402 O O5D . DGD BE . 0.2246 0.9758 1.0592 -0.0831 -0.0668 -0.0161 102 DGD H O5D ? ? 1 +50403 C C6D . DGD BE . 0.1960 0.9378 1.0200 -0.0801 -0.0640 -0.0117 102 DGD H C6D ? ? 1 +50404 O O6D . DGD BE . 0.1772 0.9091 1.0008 -0.0895 -0.0587 -0.0118 102 DGD H O6D ? ? 1 +50405 C C1E . DGD BE . 0.2487 1.0113 1.0915 -0.0804 -0.0683 -0.0174 102 DGD H C1E ? ? 1 +50406 C C2E . DGD BE . 0.2557 1.0288 1.1109 -0.0843 -0.0708 -0.0223 102 DGD H C2E ? ? 1 +50407 O O2E . DGD BE . 0.2571 1.0278 1.1161 -0.0911 -0.0666 -0.0227 102 DGD H O2E ? ? 1 +50408 C C3E . DGD BE . 0.2777 1.0514 1.1315 -0.0829 -0.0780 -0.0261 102 DGD H C3E ? ? 1 +50409 O O3E . DGD BE . 0.2797 1.0649 1.1459 -0.0855 -0.0813 -0.0310 102 DGD H O3E ? ? 1 +50410 C C4E . DGD BE . 0.2925 1.0653 1.1390 -0.0754 -0.0820 -0.0249 102 DGD H C4E ? ? 1 +50411 O O4E . DGD BE . 0.3092 1.0928 1.1638 -0.0726 -0.0823 -0.0253 102 DGD H O4E ? ? 1 +50412 C C5E . DGD BE . 0.2841 1.0450 1.1180 -0.0730 -0.0788 -0.0201 102 DGD H C5E ? ? 1 +50413 O O6E . DGD BE . 0.2622 1.0243 1.0988 -0.0739 -0.0728 -0.0169 102 DGD H O6E ? ? 1 +50414 C C6E . DGD BE . 0.2943 1.0519 1.1192 -0.0663 -0.0826 -0.0189 102 DGD H C6E ? ? 1 +50415 O O5E . DGD BE . 0.3050 1.0674 1.1319 -0.0625 -0.0811 -0.0169 102 DGD H O5E ? ? 1 +50416 C C1 . BCR BF . 0.2671 0.9017 0.8808 -0.0025 0.1037 0.0456 408 BCR a C1 ? ? 1 +50417 C C2 . BCR BF . 0.2809 0.9109 0.8867 -0.0023 0.1125 0.0463 408 BCR a C2 ? ? 1 +50418 C C3 . BCR BF . 0.2811 0.9207 0.8966 -0.0008 0.1185 0.0441 408 BCR a C3 ? ? 1 +50419 C C4 . BCR BF . 0.2704 0.9231 0.9040 -0.0043 0.1198 0.0433 408 BCR a C4 ? ? 1 +50420 C C5 . BCR BF . 0.2568 0.9136 0.8980 -0.0056 0.1115 0.0432 408 BCR a C5 ? ? 1 +50421 C C6 . BCR BF . 0.2537 0.9022 0.8858 -0.0046 0.1043 0.0443 408 BCR a C6 ? ? 1 +50422 C C7 . BCR BF . 0.2399 0.8920 0.8787 -0.0056 0.0965 0.0441 408 BCR a C7 ? ? 1 +50423 C C8 . BCR BF . 0.2270 0.8895 0.8790 -0.0047 0.0932 0.0421 408 BCR a C8 ? ? 1 +50424 C C9 . BCR BF . 0.2143 0.8796 0.8719 -0.0055 0.0859 0.0419 408 BCR a C9 ? ? 1 +50425 C C10 . BCR BF . 0.2030 0.8767 0.8706 -0.0032 0.0824 0.0397 408 BCR a C10 ? ? 1 +50426 C C11 . BCR BF . 0.1910 0.8683 0.8650 -0.0036 0.0756 0.0392 408 BCR a C11 ? ? 1 +50427 C C33 . BCR BF . 0.2451 0.9160 0.9048 -0.0079 0.1122 0.0417 408 BCR a C33 ? ? 1 +50428 C C31 . BCR BF . 0.2678 0.8944 0.8740 -0.0050 0.0990 0.0480 408 BCR a C31 ? ? 1 +50429 C C32 . BCR BF . 0.2672 0.8996 0.8765 0.0022 0.0987 0.0438 408 BCR a C32 ? ? 1 +50430 C C34 . BCR BF . 0.2120 0.8712 0.8650 -0.0086 0.0815 0.0440 408 BCR a C34 ? ? 1 +50431 C C12 . BCR BF . 0.1822 0.8658 0.8634 -0.0007 0.0719 0.0372 408 BCR a C12 ? ? 1 +50432 C C13 . BCR BF . 0.1699 0.8574 0.8577 -0.0009 0.0656 0.0366 408 BCR a C13 ? ? 1 +50433 C C14 . BCR BF . 0.1639 0.8564 0.8571 0.0028 0.0627 0.0345 408 BCR a C14 ? ? 1 +50434 C C15 . BCR BF . 0.1536 0.8499 0.8528 0.0034 0.0568 0.0337 408 BCR a C15 ? ? 1 +50435 C C16 . BCR BF . 0.1488 0.8491 0.8523 0.0073 0.0540 0.0318 408 BCR a C16 ? ? 1 +50436 C C17 . BCR BF . 0.1404 0.8424 0.8477 0.0079 0.0479 0.0313 408 BCR a C17 ? ? 1 +50437 C C18 . BCR BF . 0.1370 0.8421 0.8478 0.0118 0.0447 0.0296 408 BCR a C18 ? ? 1 +50438 C C19 . BCR BF . 0.1298 0.8347 0.8425 0.0117 0.0387 0.0296 408 BCR a C19 ? ? 1 +50439 C C20 . BCR BF . 0.1270 0.8350 0.8436 0.0151 0.0351 0.0281 408 BCR a C20 ? ? 1 +50440 C C21 . BCR BF . 0.1214 0.8292 0.8397 0.0148 0.0295 0.0282 408 BCR a C21 ? ? 1 +50441 C C22 . BCR BF . 0.1188 0.8314 0.8430 0.0178 0.0261 0.0267 408 BCR a C22 ? ? 1 +50442 C C23 . BCR BF . 0.1149 0.8250 0.8384 0.0170 0.0207 0.0272 408 BCR a C23 ? ? 1 +50443 C C24 . BCR BF . 0.1115 0.8274 0.8420 0.0187 0.0173 0.0261 408 BCR a C24 ? ? 1 +50444 C C25 . BCR BF . 0.1084 0.8212 0.8373 0.0185 0.0119 0.0265 408 BCR a C25 ? ? 1 +50445 C C26 . BCR BF . 0.1104 0.8132 0.8295 0.0188 0.0093 0.0274 408 BCR a C26 ? ? 1 +50446 C C27 . BCR BF . 0.1077 0.8076 0.8256 0.0182 0.0043 0.0278 408 BCR a C27 ? ? 1 +50447 C C28 . BCR BF . 0.1012 0.8087 0.8281 0.0154 0.0028 0.0279 408 BCR a C28 ? ? 1 +50448 C C29 . BCR BF . 0.0995 0.8177 0.8367 0.0173 0.0043 0.0261 408 BCR a C29 ? ? 1 +50449 C C30 . BCR BF . 0.1024 0.8239 0.8417 0.0170 0.0098 0.0258 408 BCR a C30 ? ? 1 +50450 C C35 . BCR BF . 0.1641 0.8501 0.8529 -0.0050 0.0621 0.0382 408 BCR a C35 ? ? 1 +50451 C C36 . BCR BF . 0.1424 0.8507 0.8547 0.0165 0.0481 0.0277 408 BCR a C36 ? ? 1 +50452 C C37 . BCR BF . 0.1206 0.8413 0.8521 0.0221 0.0285 0.0246 408 BCR a C37 ? ? 1 +50453 C C38 . BCR BF . 0.1159 0.8096 0.8245 0.0198 0.0110 0.0279 408 BCR a C38 ? ? 1 +50454 C C39 . BCR BF . 0.0986 0.8229 0.8416 0.0114 0.0118 0.0269 408 BCR a C39 ? ? 1 +50455 C C40 . BCR BF . 0.1036 0.8355 0.8526 0.0206 0.0111 0.0236 408 BCR a C40 ? ? 1 +50456 MG MG . CLA BG . 0.1792 1.0365 1.0376 0.0162 -0.1337 -0.0371 616 CLA b MG ? ? 1 +50457 C CHA . CLA BG . 0.1896 1.0604 1.0591 0.0336 -0.1399 -0.0389 616 CLA b CHA ? ? 1 +50458 C CHB . CLA BG . 0.1665 1.0223 1.0340 0.0073 -0.1151 -0.0328 616 CLA b CHB ? ? 1 +50459 C CHC . CLA BG . 0.1629 1.0188 1.0237 -0.0025 -0.1287 -0.0405 616 CLA b CHC ? ? 1 +50460 C CHD . CLA BG . 0.1887 1.0598 1.0497 0.0240 -0.1552 -0.0469 616 CLA b CHD ? ? 1 +50461 N NA . CLA BG . 0.1847 1.0470 1.0516 0.0195 -0.1283 -0.0359 616 CLA b NA ? ? 1 +50462 C C1A . CLA BG . 0.1920 1.0573 1.0604 0.0268 -0.1313 -0.0361 616 CLA b C1A ? ? 1 +50463 C C2A . CLA BG . 0.2030 1.0658 1.0721 0.0280 -0.1253 -0.0333 616 CLA b C2A ? ? 1 +50464 C C3A . CLA BG . 0.1884 1.0484 1.0587 0.0194 -0.1178 -0.0321 616 CLA b C3A ? ? 1 +50465 C C4A . CLA BG . 0.1817 1.0412 1.0500 0.0149 -0.1205 -0.0337 616 CLA b C4A ? ? 1 +50466 C CMA . CLA BG . 0.1840 1.0562 1.0698 0.0158 -0.1132 -0.0353 616 CLA b CMA ? ? 1 +50467 C CAA . CLA BG . 0.2294 1.0786 1.0840 0.0341 -0.1256 -0.0283 616 CLA b CAA ? ? 1 +50468 C CBA . CLA BG . 0.2493 1.0945 1.1036 0.0342 -0.1189 -0.0254 616 CLA b CBA ? ? 1 +50469 C CGA . CLA BG . 0.2935 1.1488 1.1581 0.0395 -0.1201 -0.0279 616 CLA b CGA ? ? 1 +50470 O O1A . CLA BG . 0.3032 1.1643 1.1705 0.0454 -0.1265 -0.0304 616 CLA b O1A ? ? 1 +50471 O O2A . CLA BG . 0.3658 1.2242 1.2372 0.0382 -0.1138 -0.0277 616 CLA b O2A ? ? 1 +50472 N NB . CLA BG . 0.1646 1.0218 1.0290 0.0042 -0.1237 -0.0369 616 CLA b NB ? ? 1 +50473 C C1B . CLA BG . 0.1591 1.0143 1.0253 0.0019 -0.1165 -0.0345 616 CLA b C1B ? ? 1 +50474 C C2B . CLA BG . 0.1486 1.0022 1.0170 -0.0064 -0.1101 -0.0343 616 CLA b C2B ? ? 1 +50475 C C3B . CLA BG . 0.1504 1.0039 1.0170 -0.0094 -0.1139 -0.0365 616 CLA b C3B ? ? 1 +50476 C C4B . CLA BG . 0.1588 1.0142 1.0225 -0.0025 -0.1222 -0.0379 616 CLA b C4B ? ? 1 +50477 C CMB . CLA BG . 0.1423 0.9941 1.0133 -0.0104 -0.1020 -0.0323 616 CLA b CMB ? ? 1 +50478 C CAB . CLA BG . 0.1464 0.9974 1.0135 -0.0177 -0.1095 -0.0370 616 CLA b CAB ? ? 1 +50479 C CBB . CLA BG . 0.1513 1.0010 1.0159 -0.0208 -0.1125 -0.0389 616 CLA b CBB ? ? 1 +50480 N NC . CLA BG . 0.1765 1.0398 1.0381 0.0115 -0.1401 -0.0425 616 CLA b NC ? ? 1 +50481 C C1C . CLA BG . 0.1699 1.0303 1.0305 0.0041 -0.1371 -0.0429 616 CLA b C1C ? ? 1 +50482 C C2C . CLA BG . 0.1764 1.0402 1.0376 0.0023 -0.1431 -0.0468 616 CLA b C2C ? ? 1 +50483 C C3C . CLA BG . 0.1824 1.0509 1.0437 0.0102 -0.1511 -0.0488 616 CLA b C3C ? ? 1 +50484 C C4C . CLA BG . 0.1818 1.0488 1.0426 0.0153 -0.1484 -0.0457 616 CLA b C4C ? ? 1 +50485 C CMC . CLA BG . 0.1780 1.0398 1.0386 -0.0053 -0.1417 -0.0485 616 CLA b CMC ? ? 1 +50486 C CAC . CLA BG . 0.1931 1.0662 1.0544 0.0124 -0.1599 -0.0530 616 CLA b CAC ? ? 1 +50487 C CBC . CLA BG . 0.1899 1.0806 1.0697 0.0092 -0.1624 -0.0597 616 CLA b CBC ? ? 1 +50488 N ND . CLA BG . 0.1841 1.0522 1.0477 0.0263 -0.1448 -0.0415 616 CLA b ND ? ? 1 +50489 C C1D . CLA BG . 0.1889 1.0630 1.0542 0.0287 -0.1532 -0.0456 616 CLA b C1D ? ? 1 +50490 C C2D . CLA BG . 0.1962 1.0761 1.0640 0.0378 -0.1595 -0.0472 616 CLA b C2D ? ? 1 +50491 C C3D . CLA BG . 0.1947 1.0731 1.0644 0.0393 -0.1535 -0.0443 616 CLA b C3D ? ? 1 +50492 C C4D . CLA BG . 0.1886 1.0626 1.0582 0.0320 -0.1455 -0.0420 616 CLA b C4D ? ? 1 +50493 C CMD . CLA BG . 0.2038 1.0895 1.0721 0.0445 -0.1693 -0.0507 616 CLA b CMD ? ? 1 +50494 C CAD . CLA BG . 0.1965 1.0781 1.0700 0.0459 -0.1532 -0.0437 616 CLA b CAD ? ? 1 +50495 O OBD . CLA BG . 0.2049 1.0909 1.0795 0.0538 -0.1597 -0.0455 616 CLA b OBD ? ? 1 +50496 C CBD . CLA BG . 0.1940 1.0703 1.0670 0.0423 -0.1443 -0.0402 616 CLA b CBD ? ? 1 +50497 C CGD . CLA BG . 0.1855 1.0742 1.0737 0.0420 -0.1409 -0.0429 616 CLA b CGD ? ? 1 +50498 O O1D . CLA BG . 0.1838 1.0722 1.0718 0.0482 -0.1410 -0.0418 616 CLA b O1D ? ? 1 +50499 O O2D . CLA BG . 0.1807 1.0808 1.0833 0.0343 -0.1368 -0.0465 616 CLA b O2D ? ? 1 +50500 C CED . CLA BG . 0.1841 1.0997 1.1032 0.0361 -0.1368 -0.0508 616 CLA b CED ? ? 1 +50501 C C1 . CLA BG . 0.4249 1.2983 1.3116 0.0403 -0.1146 -0.0323 616 CLA b C1 ? ? 1 +50502 C C2 . CLA BG . 0.4851 1.3683 1.3846 0.0325 -0.1089 -0.0351 616 CLA b C2 ? ? 1 +50503 C C3 . CLA BG . 0.5908 1.4903 1.5064 0.0316 -0.1103 -0.0405 616 CLA b C3 ? ? 1 +50504 C C4 . CLA BG . 0.5936 1.5038 1.5165 0.0384 -0.1182 -0.0446 616 CLA b C4 ? ? 1 +50505 C C5 . CLA BG . 0.6465 1.5541 1.5736 0.0233 -0.1039 -0.0430 616 CLA b C5 ? ? 1 +50506 C C6 . CLA BG . 0.6937 1.5950 1.6152 0.0156 -0.1023 -0.0419 616 CLA b C6 ? ? 1 +50507 C C7 . CLA BG . 0.7168 1.6305 1.6512 0.0095 -0.1028 -0.0469 616 CLA b C7 ? ? 1 +50508 C C8 . CLA BG . 0.7501 1.6607 1.6853 0.0004 -0.0949 -0.0460 616 CLA b C8 ? ? 1 +50509 C C9 . CLA BG . 0.7526 1.6467 1.6727 -0.0023 -0.0906 -0.0404 616 CLA b C9 ? ? 1 +50510 C C10 . CLA BG . 0.8116 1.7361 1.7627 -0.0057 -0.0923 -0.0510 616 CLA b C10 ? ? 1 +50511 C C11 . CLA BG . 0.8378 1.7564 1.7865 -0.0149 -0.0852 -0.0497 616 CLA b C11 ? ? 1 +50512 C C12 . CLA BG . 0.8648 1.7967 1.8292 -0.0215 -0.0824 -0.0549 616 CLA b C12 ? ? 1 +50513 C C13 . CLA BG . 0.8930 1.8321 1.8626 -0.0230 -0.0892 -0.0591 616 CLA b C13 ? ? 1 +50514 C C14 . CLA BG . 0.9204 1.8473 1.8779 -0.0276 -0.0896 -0.0566 616 CLA b C14 ? ? 1 +50515 C C15 . CLA BG . 0.8840 1.8394 1.8718 -0.0281 -0.0875 -0.0650 616 CLA b C15 ? ? 1 +50516 C C16 . CLA BG . 0.8824 1.8483 1.8780 -0.0271 -0.0958 -0.0701 616 CLA b C16 ? ? 1 +50517 C C17 . CLA BG . 0.8638 1.8464 1.8783 -0.0329 -0.0937 -0.0763 616 CLA b C17 ? ? 1 +50518 C C18 . CLA BG . 0.8630 1.8581 1.8874 -0.0321 -0.1022 -0.0821 616 CLA b C18 ? ? 1 +50519 C C19 . CLA BG . 0.8716 1.8606 1.8854 -0.0272 -0.1114 -0.0814 616 CLA b C19 ? ? 1 +50520 C C20 . CLA BG . 0.8442 1.8594 1.8900 -0.0350 -0.1019 -0.0890 616 CLA b C20 ? ? 1 +50521 MG MG . CLA BH . 0.7806 1.1273 0.9931 0.1566 0.1707 -0.0286 513 CLA c MG ? ? 1 +50522 C CHA . CLA BH . 0.7677 1.1001 0.9783 0.1522 0.1455 -0.0322 513 CLA c CHA ? ? 1 +50523 C CHB . CLA BH . 0.7918 1.1454 1.0175 0.1722 0.1803 -0.0347 513 CLA c CHB ? ? 1 +50524 C CHC . CLA BH . 0.8163 1.1577 1.0072 0.1638 0.1970 -0.0281 513 CLA c CHC ? ? 1 +50525 C CHD . CLA BH . 0.7903 1.1133 0.9681 0.1450 0.1589 -0.0252 513 CLA c CHD ? ? 1 +50526 N NA . CLA BH . 0.7818 1.1247 0.9981 0.1612 0.1642 -0.0325 513 CLA c NA ? ? 1 +50527 C C1A . CLA BH . 0.7762 1.1152 0.9936 0.1586 0.1545 -0.0333 513 CLA c C1A ? ? 1 +50528 C C2A . CLA BH . 0.7820 1.1221 1.0065 0.1631 0.1528 -0.0356 513 CLA c C2A ? ? 1 +50529 C C3A . CLA BH . 0.7869 1.1322 1.0139 0.1699 0.1636 -0.0366 513 CLA c C3A ? ? 1 +50530 C C4A . CLA BH . 0.7873 1.1346 1.0098 0.1676 0.1699 -0.0345 513 CLA c C4A ? ? 1 +50531 C CMA . CLA BH . 0.8077 1.1386 1.0192 0.1768 0.1656 -0.0406 513 CLA c CMA ? ? 1 +50532 C CAA . CLA BH . 0.7737 1.1270 1.0188 0.1602 0.1476 -0.0339 513 CLA c CAA ? ? 1 +50533 C CBA . CLA BH . 0.7905 1.1444 1.0413 0.1662 0.1477 -0.0364 513 CLA c CBA ? ? 1 +50534 C CGA . CLA BH . 0.7913 1.1561 1.0603 0.1639 0.1420 -0.0350 513 CLA c CGA ? ? 1 +50535 O O1A . CLA BH . 0.7930 1.1529 1.0607 0.1595 0.1335 -0.0348 513 CLA c O1A ? ? 1 +50536 O O2A . CLA BH . 0.8069 1.1883 1.0951 0.1673 0.1469 -0.0342 513 CLA c O2A ? ? 1 +50537 N NB . CLA BH . 0.7994 1.1467 1.0081 0.1661 0.1857 -0.0311 513 CLA c NB ? ? 1 +50538 C C1B . CLA BH . 0.8011 1.1535 1.0186 0.1717 0.1884 -0.0334 513 CLA c C1B ? ? 1 +50539 C C2B . CLA BH . 0.8190 1.1731 1.0345 0.1783 0.1998 -0.0350 513 CLA c C2B ? ? 1 +50540 C C3B . CLA BH . 0.8279 1.1783 1.0329 0.1755 0.2051 -0.0330 513 CLA c C3B ? ? 1 +50541 C C4B . CLA BH . 0.8124 1.1593 1.0145 0.1681 0.1958 -0.0306 513 CLA c C4B ? ? 1 +50542 C CMB . CLA BH . 0.8247 1.1835 1.0474 0.1859 0.2047 -0.0379 513 CLA c CMB ? ? 1 +50543 C CAB . CLA BH . 0.8488 1.1990 1.0479 0.1801 0.2175 -0.0338 513 CLA c CAB ? ? 1 +50544 C CBB . CLA BH . 0.8644 1.2081 1.0503 0.1784 0.2227 -0.0323 513 CLA c CBB ? ? 1 +50545 N NC . CLA BH . 0.7996 1.1339 0.9888 0.1548 0.1761 -0.0270 513 CLA c NC ? ? 1 +50546 C C1C . CLA BH . 0.8134 1.1475 0.9968 0.1578 0.1871 -0.0267 513 CLA c C1C ? ? 1 +50547 C C2C . CLA BH . 0.8251 1.1493 0.9914 0.1556 0.1890 -0.0250 513 CLA c C2C ? ? 1 +50548 C C3C . CLA BH . 0.8196 1.1388 0.9824 0.1503 0.1774 -0.0243 513 CLA c C3C ? ? 1 +50549 C C4C . CLA BH . 0.8001 1.1268 0.9784 0.1499 0.1708 -0.0254 513 CLA c C4C ? ? 1 +50550 C CMC . CLA BH . 0.8414 1.1619 0.9967 0.1579 0.2002 -0.0243 513 CLA c CMC ? ? 1 +50551 C CAC . CLA BH . 0.8321 1.1413 0.9796 0.1463 0.1732 -0.0226 513 CLA c CAC ? ? 1 +50552 C CBC . CLA BH . 0.8509 1.1414 0.9763 0.1481 0.1669 -0.0258 513 CLA c CBC ? ? 1 +50553 N ND . CLA BH . 0.7766 1.1089 0.9752 0.1499 0.1559 -0.0287 513 CLA c ND ? ? 1 +50554 C C1D . CLA BH . 0.7817 1.1053 0.9667 0.1456 0.1520 -0.0274 513 CLA c C1D ? ? 1 +50555 C C2D . CLA BH . 0.7734 1.0928 0.9582 0.1410 0.1400 -0.0279 513 CLA c C2D ? ? 1 +50556 C C3D . CLA BH . 0.7671 1.0902 0.9624 0.1437 0.1382 -0.0299 513 CLA c C3D ? ? 1 +50557 C C4D . CLA BH . 0.7731 1.1009 0.9725 0.1493 0.1473 -0.0306 513 CLA c C4D ? ? 1 +50558 C CMD . CLA BH . 0.7722 1.0851 0.9490 0.1354 0.1311 -0.0270 513 CLA c CMD ? ? 1 +50559 C CAD . CLA BH . 0.7594 1.0810 0.9602 0.1427 0.1298 -0.0316 513 CLA c CAD ? ? 1 +50560 O OBD . CLA BH . 0.7544 1.0713 0.9528 0.1379 0.1204 -0.0318 513 CLA c OBD ? ? 1 +50561 C CBD . CLA BH . 0.7570 1.0844 0.9678 0.1481 0.1343 -0.0330 513 CLA c CBD ? ? 1 +50562 C CGD . CLA BH . 0.7672 1.0811 0.9668 0.1515 0.1306 -0.0368 513 CLA c CGD ? ? 1 +50563 O O1D . CLA BH . 0.7563 1.0716 0.9637 0.1504 0.1247 -0.0374 513 CLA c O1D ? ? 1 +50564 O O2D . CLA BH . 0.7913 1.0899 0.9705 0.1561 0.1339 -0.0399 513 CLA c O2D ? ? 1 +50565 C CED . CLA BH . 0.8046 1.0879 0.9707 0.1575 0.1281 -0.0435 513 CLA c CED ? ? 1 +50566 C C1 . CLA BH . 0.8129 1.2007 1.1142 0.1689 0.1428 -0.0344 513 CLA c C1 ? ? 1 +50567 C C2 . CLA BH . 0.8298 1.2229 1.1365 0.1773 0.1499 -0.0364 513 CLA c C2 ? ? 1 +50568 C C3 . CLA BH . 0.8656 1.2460 1.1601 0.1835 0.1503 -0.0396 513 CLA c C3 ? ? 1 +50569 C C4 . CLA BH . 0.8731 1.2339 1.1488 0.1816 0.1436 -0.0414 513 CLA c C4 ? ? 1 +50570 C C5 . CLA BH . 0.8997 1.2856 1.1995 0.1924 0.1576 -0.0417 513 CLA c C5 ? ? 1 +50571 C C6 . CLA BH . 0.9399 1.3129 1.2215 0.1974 0.1638 -0.0444 513 CLA c C6 ? ? 1 +50572 C C7 . CLA BH . 0.9713 1.3556 1.2590 0.2011 0.1747 -0.0443 513 CLA c C7 ? ? 1 +50573 C C8 . CLA BH . 1.0250 1.3958 1.2924 0.2026 0.1801 -0.0458 513 CLA c C8 ? ? 1 +50574 C C9 . CLA BH . 1.0515 1.3996 1.2955 0.2029 0.1752 -0.0482 513 CLA c C9 ? ? 1 +50575 C C10 . CLA BH . 1.0567 1.4368 1.3278 0.2053 0.1915 -0.0456 513 CLA c C10 ? ? 1 +50576 C C11 . CLA BH . 1.1160 1.4800 1.3646 0.2084 0.1966 -0.0477 513 CLA c C11 ? ? 1 +50577 C C12 . CLA BH . 1.1560 1.5273 1.4055 0.2079 0.2068 -0.0465 513 CLA c C12 ? ? 1 +50578 C C13 . CLA BH . 1.1903 1.5724 1.4494 0.2156 0.2171 -0.0482 513 CLA c C13 ? ? 1 +50579 C C14 . CLA BH . 1.2034 1.5717 1.4479 0.2242 0.2194 -0.0523 513 CLA c C14 ? ? 1 +50580 C C15 . CLA BH . 1.2228 1.6120 1.4829 0.2141 0.2274 -0.0468 513 CLA c C15 ? ? 1 +50581 C C16 . CLA BH . 1.2318 1.6277 1.4977 0.2048 0.2253 -0.0427 513 CLA c C16 ? ? 1 +50582 C C17 . CLA BH . 1.2385 1.6522 1.5200 0.2043 0.2357 -0.0412 513 CLA c C17 ? ? 1 +50583 C C18 . CLA BH . 1.2246 1.6389 1.5021 0.1973 0.2392 -0.0379 513 CLA c C18 ? ? 1 +50584 C C19 . CLA BH . 1.2067 1.6101 1.4726 0.1898 0.2305 -0.0354 513 CLA c C19 ? ? 1 +50585 C C20 . CLA BH . 1.2211 1.6446 1.5030 0.1981 0.2523 -0.0373 513 CLA c C20 ? ? 1 +50586 C C1 . HTG BI . 0.7825 1.6338 1.5948 -0.0948 -0.2857 -0.1818 411 HTG d C1 ? ? 1 +50587 S S1 . HTG BI . 0.7862 1.6295 1.6013 -0.1031 -0.2700 -0.1759 411 HTG d S1 ? ? 1 +50588 C C2 . HTG BI . 0.7676 1.6393 1.6024 -0.1004 -0.2922 -0.1911 411 HTG d C2 ? ? 1 +50589 O O2 . HTG BI . 0.7526 1.6405 1.6074 -0.1014 -0.2882 -0.1904 411 HTG d O2 ? ? 1 +50590 C C3 . HTG BI . 0.7753 1.6534 1.6070 -0.0931 -0.3059 -0.1961 411 HTG d C3 ? ? 1 +50591 O O3 . HTG BI . 0.7782 1.6762 1.6313 -0.0978 -0.3125 -0.2050 411 HTG d O3 ? ? 1 +50592 C C4 . HTG BI . 0.7927 1.6533 1.6026 -0.0919 -0.3101 -0.1970 411 HTG d C4 ? ? 1 +50593 O O4 . HTG BI . 0.7886 1.6541 1.5944 -0.0850 -0.3231 -0.2018 411 HTG d O4 ? ? 1 +50594 C C5 . HTG BI . 0.8193 1.6598 1.6075 -0.0864 -0.3027 -0.1873 411 HTG d C5 ? ? 1 +50595 O O5 . HTG BI . 0.8185 1.6542 1.6109 -0.0932 -0.2900 -0.1827 411 HTG d O5 ? ? 1 +50596 C C6 . HTG BI . 0.8257 1.6474 1.5907 -0.0848 -0.3057 -0.1873 411 HTG d C6 ? ? 1 +50597 O O6 . HTG BI . 0.7913 1.5968 1.5360 -0.0770 -0.3012 -0.1788 411 HTG d O6 ? ? 1 +50598 C C1' . HTG BI . 0.7420 1.5601 1.5285 -0.0966 -0.2645 -0.1667 411 HTG d C1' ? ? 1 +50599 C C2' . HTG BI . 0.7153 1.5265 1.5021 -0.1005 -0.2518 -0.1601 411 HTG d C2' ? ? 1 +50600 C C3' . HTG BI . 0.7229 1.5165 1.4964 -0.1061 -0.2460 -0.1589 411 HTG d C3' ? ? 1 +50601 C C4' . HTG BI . 0.7009 1.4889 1.4770 -0.1112 -0.2338 -0.1536 411 HTG d C4' ? ? 1 +50602 C C1 . LMG BJ . 1.4703 1.7212 1.9252 0.3266 -0.0022 -0.0339 101 LMG Z C1 ? ? 1 +50603 O O1 . LMG BJ . 1.4055 1.6636 1.8653 0.3141 0.0014 -0.0344 101 LMG Z O1 ? ? 1 +50604 C C2 . LMG BJ . 1.4581 1.7228 1.9227 0.3274 -0.0074 -0.0309 101 LMG Z C2 ? ? 1 +50605 O O2 . LMG BJ . 1.4574 1.7341 1.9307 0.3412 -0.0094 -0.0329 101 LMG Z O2 ? ? 1 +50606 C C3 . LMG BJ . 1.4527 1.6985 1.9034 0.3247 -0.0117 -0.0261 101 LMG Z C3 ? ? 1 +50607 O O3 . LMG BJ . 1.4389 1.6883 1.8921 0.3105 -0.0117 -0.0233 101 LMG Z O3 ? ? 1 +50608 C C4 . LMG BJ . 1.4710 1.6860 1.8998 0.3278 -0.0109 -0.0255 101 LMG Z C4 ? ? 1 +50609 O O4 . LMG BJ . 1.4530 1.6507 1.8692 0.3226 -0.0139 -0.0209 101 LMG Z O4 ? ? 1 +50610 C C5 . LMG BJ . 1.4860 1.6925 1.9091 0.3207 -0.0056 -0.0279 101 LMG Z C5 ? ? 1 +50611 O O5 . LMG BJ . 1.4182 1.6197 1.8379 0.2976 -0.0070 -0.0222 101 LMG Z O5 ? ? 1 +50612 C C6 . LMG BJ . 1.4524 1.6652 1.8801 0.3050 -0.0040 -0.0266 101 LMG Z C6 ? ? 1 +50613 O O6 . LMG BJ . 1.5039 1.7252 1.9376 0.3278 -0.0024 -0.0325 101 LMG Z O6 ? ? 1 +50614 C C7 . LMG BJ . 1.3747 1.6429 1.8415 0.3160 0.0064 -0.0389 101 LMG Z C7 ? ? 1 +50615 C C8 . LMG BJ . 1.3695 1.6313 1.8312 0.3041 0.0104 -0.0396 101 LMG Z C8 ? ? 1 +50616 C C9 . LMG BJ . 1.4091 1.6758 1.8736 0.3081 0.0158 -0.0443 101 LMG Z C9 ? ? 1 +50617 O O7 . LMG BJ . 1.3613 1.5957 1.8036 0.3000 0.0089 -0.0371 101 LMG Z O7 ? ? 1 +50618 C C10 . LMG BJ . 1.2838 1.5089 1.7192 0.2874 0.0102 -0.0360 101 LMG Z C10 ? ? 1 +50619 O O9 . LMG BJ . 1.2839 1.4879 1.7047 0.2837 0.0087 -0.0337 101 LMG Z O9 ? ? 1 +50620 C C11 . LMG BJ . 1.2201 1.4605 1.6655 0.2780 0.0137 -0.0377 101 LMG Z C11 ? ? 1 +50621 C C12 . LMG BJ . 1.2051 1.4309 1.6392 0.2746 0.0178 -0.0406 101 LMG Z C12 ? ? 1 +50622 C C13 . LMG BJ . 1.1763 1.4147 1.6182 0.2799 0.0225 -0.0450 101 LMG Z C13 ? ? 1 +50623 C C14 . LMG BJ . 1.1328 1.3993 1.5942 0.2761 0.0239 -0.0456 101 LMG Z C14 ? ? 1 +50624 C C15 . LMG BJ . 1.1048 1.3820 1.5724 0.2791 0.0294 -0.0499 101 LMG Z C15 ? ? 1 +50625 C C16 . LMG BJ . 1.0563 1.3611 1.5432 0.2754 0.0310 -0.0504 101 LMG Z C16 ? ? 1 +50626 C C17 . LMG BJ . 1.0137 1.3231 1.5030 0.2614 0.0308 -0.0484 101 LMG Z C17 ? ? 1 +50627 C C18 . LMG BJ . 0.9826 1.2827 1.4630 0.2546 0.0347 -0.0504 101 LMG Z C18 ? ? 1 +50628 C C19 . LMG BJ . 0.9321 1.2358 1.4142 0.2411 0.0340 -0.0484 101 LMG Z C19 ? ? 1 +50629 C C20 . LMG BJ . 0.9142 1.2067 1.3859 0.2348 0.0372 -0.0506 101 LMG Z C20 ? ? 1 +50630 C C21 . LMG BJ . 0.8890 1.1809 1.3595 0.2216 0.0356 -0.0484 101 LMG Z C21 ? ? 1 +50631 C C22 . LMG BJ . 0.8877 1.1589 1.3447 0.2164 0.0318 -0.0461 101 LMG Z C22 ? ? 1 +50632 C C23 . LMG BJ . 0.8715 1.1421 1.3272 0.2034 0.0306 -0.0446 101 LMG Z C23 ? ? 1 +50633 C C24 . LMG BJ . 0.8791 1.1267 1.3193 0.1978 0.0282 -0.0437 101 LMG Z C24 ? ? 1 +50634 C C25 . LMG BJ . 0.8607 1.1087 1.3007 0.1850 0.0266 -0.0422 101 LMG Z C25 ? ? 1 +50635 O O8 . LMG BJ . 1.4156 1.7108 1.9005 0.3095 0.0173 -0.0461 101 LMG Z O8 ? ? 1 +50636 C C28 . LMG BJ . 1.3496 1.6534 1.8401 0.3138 0.0222 -0.0503 101 LMG Z C28 ? ? 1 +50637 O O10 . LMG BJ . 1.3317 1.6210 1.8112 0.3175 0.0253 -0.0527 101 LMG Z O10 ? ? 1 +50638 C C29 . LMG BJ . 1.2917 1.6253 1.8038 0.3133 0.0235 -0.0517 101 LMG Z C29 ? ? 1 +50639 C C1B . LMT BK . 1.0579 1.7018 1.7562 -0.0577 0.0083 0.0291 417 LMT A C1B ? ? 1 +50640 C C2B . LMT BK . 1.0387 1.6816 1.7347 -0.0548 0.0037 0.0304 417 LMT A C2B ? ? 1 +50641 C C3B . LMT BK . 1.0041 1.6496 1.7015 -0.0518 0.0016 0.0308 417 LMT A C3B ? ? 1 +50642 C C4B . LMT BK . 0.9829 1.6231 1.6741 -0.0511 0.0040 0.0312 417 LMT A C4B ? ? 1 +50643 C C5B . LMT BK . 1.0150 1.6555 1.7076 -0.0537 0.0087 0.0300 417 LMT A C5B ? ? 1 +50644 C C6B . LMT BK . 1.0281 1.6618 1.7129 -0.0532 0.0115 0.0306 417 LMT A C6B ? ? 1 +50645 O O1B . LMT BK . 1.0670 1.7198 1.7747 -0.0581 0.0080 0.0275 417 LMT A O1B ? ? 1 +50646 O O2B . LMT BK . 1.0358 1.6829 1.7367 -0.0554 0.0014 0.0300 417 LMT A O2B ? ? 1 +50647 O O3B . LMT BK . 0.9109 1.5559 1.6069 -0.0495 -0.0023 0.0318 417 LMT A O3B ? ? 1 +50648 O O4' . LMT BK . 0.9152 1.5576 1.6077 -0.0485 0.0021 0.0312 417 LMT A O4' ? ? 1 +50649 O O5B . LMT BK . 1.0554 1.6942 1.7477 -0.0569 0.0108 0.0297 417 LMT A O5B ? ? 1 +50650 O O6B . LMT BK . 1.0889 1.7185 1.7705 -0.0561 0.0162 0.0303 417 LMT A O6B ? ? 1 +50651 C C1' . LMT BK . 0.9768 1.6525 1.7105 -0.0635 0.0077 0.0217 417 LMT A C1' ? ? 1 +50652 C C2' . LMT BK . 1.0264 1.6967 1.7539 -0.0621 0.0045 0.0236 417 LMT A C2' ? ? 1 +50653 C C3' . LMT BK . 1.0337 1.6971 1.7531 -0.0595 0.0043 0.0257 417 LMT A C3' ? ? 1 +50654 C C4' . LMT BK . 1.0546 1.7123 1.7687 -0.0610 0.0089 0.0259 417 LMT A C4' ? ? 1 +50655 C C5' . LMT BK . 1.0593 1.7225 1.7798 -0.0627 0.0123 0.0241 417 LMT A C5' ? ? 1 +50656 C C6' . LMT BK . 1.0980 1.7554 1.8133 -0.0648 0.0175 0.0241 417 LMT A C6' ? ? 1 +50657 O O1' . LMT BK . 0.9029 1.5850 1.6442 -0.0661 0.0078 0.0196 417 LMT A O1' ? ? 1 +50658 O O2' . LMT BK . 1.0496 1.7250 1.7814 -0.0600 0.0002 0.0234 417 LMT A O2' ? ? 1 +50659 O O3' . LMT BK . 0.9991 1.6577 1.7132 -0.0586 0.0018 0.0271 417 LMT A O3' ? ? 1 +50660 O O5' . LMT BK . 1.0098 1.6797 1.7383 -0.0653 0.0123 0.0221 417 LMT A O5' ? ? 1 +50661 O O6' . LMT BK . 1.1298 1.7837 1.8432 -0.0686 0.0200 0.0237 417 LMT A O6' ? ? 1 +50662 C C1 . LMT BK . 0.8237 1.5149 1.5734 -0.0641 0.0050 0.0182 417 LMT A C1 ? ? 1 +50663 C C2 . LMT BK . 0.7536 1.4514 1.5109 -0.0667 0.0042 0.0158 417 LMT A C2 ? ? 1 +50664 C C3 . LMT BK . 0.7130 1.4159 1.4741 -0.0641 -0.0011 0.0155 417 LMT A C3 ? ? 1 +50665 C C4 . LMT BK . 0.7137 1.4228 1.4798 -0.0605 -0.0029 0.0152 417 LMT A C4 ? ? 1 +50666 C C5 . LMT BK . 0.6989 1.4098 1.4653 -0.0571 -0.0080 0.0159 417 LMT A C5 ? ? 1 +50667 C C6 . LMT BK . 0.7157 1.4330 1.4876 -0.0536 -0.0098 0.0151 417 LMT A C6 ? ? 1 +50668 C C7 . LMT BK . 0.7487 1.4675 1.5206 -0.0504 -0.0148 0.0157 417 LMT A C7 ? ? 1 +50669 C C8 . LMT BK . 0.8023 1.5278 1.5803 -0.0471 -0.0168 0.0146 417 LMT A C8 ? ? 1 +50670 C C9 . LMT BK . 0.8754 1.6010 1.6520 -0.0438 -0.0215 0.0155 417 LMT A C9 ? ? 1 +50671 C C10 . LMT BK . 0.8896 1.6230 1.6731 -0.0411 -0.0244 0.0136 417 LMT A C10 ? ? 1 +50672 C C11 . LMT BK . 0.8966 1.6292 1.6776 -0.0383 -0.0291 0.0144 417 LMT A C11 ? ? 1 +50673 C C12 . LMT BK . 0.8801 1.6152 1.6627 -0.0336 -0.0317 0.0145 417 LMT A C12 ? ? 1 +50674 C C1 . HTG BL . 0.8499 1.4668 1.4760 0.0160 -0.0774 0.0252 623 HTG B C1 ? ? 1 +50675 S S1 . HTG BL . 0.8025 1.4208 1.4262 0.0194 -0.0841 0.0223 623 HTG B S1 ? ? 1 +50676 C C2 . HTG BL . 0.8125 1.4359 1.4456 0.0180 -0.0783 0.0250 623 HTG B C2 ? ? 1 +50677 O O2 . HTG BL . 0.7480 1.3651 1.3723 0.0234 -0.0807 0.0254 623 HTG B O2 ? ? 1 +50678 C C3 . HTG BL . 0.8094 1.4339 1.4469 0.0147 -0.0732 0.0268 623 HTG B C3 ? ? 1 +50679 O O3 . HTG BL . 0.7283 1.3593 1.3728 0.0164 -0.0740 0.0264 623 HTG B O3 ? ? 1 +50680 C C4 . HTG BL . 0.8159 1.4450 1.4607 0.0092 -0.0703 0.0268 623 HTG B C4 ? ? 1 +50681 O O4 . HTG BL . 0.8043 1.4350 1.4535 0.0061 -0.0659 0.0283 623 HTG B O4 ? ? 1 +50682 C C5 . HTG BL . 0.8124 1.4337 1.4486 0.0080 -0.0692 0.0272 623 HTG B C5 ? ? 1 +50683 O O5 . HTG BL . 0.8610 1.4819 1.4939 0.0107 -0.0740 0.0254 623 HTG B O5 ? ? 1 +50684 C C6 . HTG BL . 0.7758 1.3997 1.4172 0.0030 -0.0660 0.0274 623 HTG B C6 ? ? 1 +50685 O O6 . HTG BL . 0.7325 1.3477 1.3649 0.0019 -0.0632 0.0286 623 HTG B O6 ? ? 1 +50686 C C1' . HTG BL . 0.7740 1.3813 1.3857 0.0177 -0.0820 0.0231 623 HTG B C1' ? ? 1 +50687 C C2' . HTG BL . 0.7729 1.3679 1.3716 0.0189 -0.0785 0.0257 623 HTG B C2' ? ? 1 +50688 C C3' . HTG BL . 0.7881 1.3754 1.3752 0.0247 -0.0823 0.0257 623 HTG B C3' ? ? 1 +50689 C C4' . HTG BL . 0.8267 1.4002 1.3986 0.0255 -0.0793 0.0276 623 HTG B C4' ? ? 1 +50690 C C5' . HTG BL . 0.8574 1.4248 1.4256 0.0241 -0.0738 0.0304 623 HTG B C5' ? ? 1 +50691 C C6' . HTG BL . 0.8583 1.4226 1.4261 0.0188 -0.0675 0.0318 623 HTG B C6' ? ? 1 +50692 C C7' . HTG BL . 0.8670 1.4216 1.4231 0.0186 -0.0659 0.0322 623 HTG B C7' ? ? 1 +50693 C C1A A DGD BM . 0.5353 0.9561 1.0862 0.0139 -0.0121 -0.0155 518 DGD C C1A ? ? 1 +50694 C C1A B DGD BM . 0.6128 1.0336 1.1639 0.0136 -0.0122 -0.0154 518 DGD C C1A ? ? 1 +50695 C C2A A DGD BM . 0.5707 0.9809 1.1179 0.0106 -0.0141 -0.0157 518 DGD C C2A ? ? 1 +50696 C C2A B DGD BM . 0.6758 1.0854 1.2227 0.0103 -0.0143 -0.0158 518 DGD C C2A ? ? 1 +50697 C C3A A DGD BM . 0.5947 1.0057 1.1462 0.0128 -0.0134 -0.0127 518 DGD C C3A ? ? 1 +50698 C C3A B DGD BM . 0.7289 1.1380 1.2792 0.0124 -0.0136 -0.0130 518 DGD C C3A ? ? 1 +50699 C C4A A DGD BM . 0.6120 1.0326 1.1721 0.0084 -0.0151 -0.0100 518 DGD C C4A ? ? 1 +50700 C C4A B DGD BM . 0.7782 1.1974 1.3376 0.0083 -0.0152 -0.0101 518 DGD C C4A ? ? 1 +50701 C C5A A DGD BM . 0.6422 1.0633 1.2058 0.0111 -0.0144 -0.0071 518 DGD C C5A ? ? 1 +50702 C C5A B DGD BM . 0.8483 1.2682 1.4112 0.0112 -0.0144 -0.0072 518 DGD C C5A ? ? 1 +50703 C C6A A DGD BM . 0.6778 1.1027 1.2427 0.0186 -0.0118 -0.0067 518 DGD C C6A ? ? 1 +50704 C C6A B DGD BM . 0.9312 1.3566 1.4965 0.0186 -0.0118 -0.0066 518 DGD C C6A ? ? 1 +50705 C C7A A DGD BM . 0.7131 1.1387 1.2811 0.0221 -0.0114 -0.0040 518 DGD C C7A ? ? 1 +50706 C C7A B DGD BM . 1.0166 1.4423 1.5847 0.0222 -0.0114 -0.0040 518 DGD C C7A ? ? 1 +50707 C C8A A DGD BM . 0.7327 1.1675 1.3086 0.0182 -0.0129 -0.0011 518 DGD C C8A ? ? 1 +50708 C C8A B DGD BM . 1.0804 1.5159 1.6567 0.0187 -0.0128 -0.0010 518 DGD C C8A ? ? 1 +50709 C C9A A DGD BM . 0.7542 1.1882 1.3318 0.0216 -0.0128 0.0015 518 DGD C C9A ? ? 1 +50710 C C9A B DGD BM . 1.1259 1.5593 1.7032 0.0219 -0.0128 0.0015 518 DGD C C9A ? ? 1 +50711 C CAA A DGD BM . 0.7622 1.1974 1.3429 0.0162 -0.0145 0.0040 518 DGD C CAA ? ? 1 +50712 C CAA B DGD BM . 1.1518 1.5868 1.7323 0.0164 -0.0145 0.0040 518 DGD C CAA ? ? 1 +50713 C CBA A DGD BM . 0.7740 1.2010 1.3501 0.0095 -0.0158 0.0026 518 DGD C CBA ? ? 1 +50714 C CBA B DGD BM . 1.1684 1.5948 1.7443 0.0097 -0.0157 0.0027 518 DGD C CBA ? ? 1 +50715 C CCA A DGD BM . 0.7742 1.2002 1.3524 0.0046 -0.0169 0.0050 518 DGD C CCA ? ? 1 +50716 C CCA B DGD BM . 1.1619 1.5876 1.7400 0.0048 -0.0169 0.0051 518 DGD C CCA ? ? 1 +50717 C CDA A DGD BM . 0.7804 1.1951 1.3528 -0.0012 -0.0177 0.0034 518 DGD C CDA ? ? 1 +50718 C CDA B DGD BM . 1.1558 1.5714 1.7288 -0.0014 -0.0178 0.0036 518 DGD C CDA ? ? 1 +50719 C CEA A DGD BM . 0.7784 1.1978 1.3526 -0.0060 -0.0190 0.0010 518 DGD C CEA ? ? 1 +50720 C CEA B DGD BM . 1.1497 1.5701 1.7245 -0.0059 -0.0190 0.0011 518 DGD C CEA ? ? 1 +50721 C CFA A DGD BM . 0.7630 1.1971 1.3465 -0.0086 -0.0199 0.0026 518 DGD C CFA ? ? 1 +50722 C CFA B DGD BM . 1.1278 1.5626 1.7117 -0.0089 -0.0200 0.0026 518 DGD C CFA ? ? 1 +50723 C CGA A DGD BM . 0.7478 1.1920 1.3351 -0.0038 -0.0191 0.0025 518 DGD C CGA ? ? 1 +50724 C CGA B DGD BM . 1.0953 1.5406 1.6830 -0.0052 -0.0195 0.0021 518 DGD C CGA ? ? 1 +50725 O O1A A DGD BM . 0.5216 0.9513 1.0792 0.0170 -0.0104 -0.0133 518 DGD C O1A ? ? 1 +50726 O O1A B DGD BM . 0.5912 1.0212 1.1494 0.0163 -0.0108 -0.0131 518 DGD C O1A ? ? 1 +50727 C C1B A DGD BM . 0.4829 0.9102 1.0311 0.0322 -0.0016 -0.0181 518 DGD C C1B ? ? 1 +50728 C C1B B DGD BM . 0.5178 0.9454 1.0661 0.0325 -0.0014 -0.0182 518 DGD C C1B ? ? 1 +50729 C C2B A DGD BM . 0.4876 0.9126 1.0375 0.0375 -0.0003 -0.0172 518 DGD C C2B ? ? 1 +50730 C C2B B DGD BM . 0.5241 0.9492 1.0738 0.0377 -0.0001 -0.0172 518 DGD C C2B ? ? 1 +50731 C C3B A DGD BM . 0.4758 0.9136 1.0367 0.0381 -0.0002 -0.0141 518 DGD C C3B ? ? 1 +50732 C C3B B DGD BM . 0.5141 0.9521 1.0749 0.0383 0.0000 -0.0142 518 DGD C C3B ? ? 1 +50733 C C4B A DGD BM . 0.4828 0.9190 1.0452 0.0443 0.0010 -0.0133 518 DGD C C4B ? ? 1 +50734 C C4B B DGD BM . 0.5245 0.9609 1.0869 0.0443 0.0010 -0.0133 518 DGD C C4B ? ? 1 +50735 C C5B A DGD BM . 0.4720 0.9219 1.0455 0.0455 0.0011 -0.0106 518 DGD C C5B ? ? 1 +50736 C C5B B DGD BM . 0.5167 0.9664 1.0901 0.0454 0.0010 -0.0106 518 DGD C C5B ? ? 1 +50737 C C6B A DGD BM . 0.4665 0.9286 1.0457 0.0461 0.0036 -0.0111 518 DGD C C6B ? ? 1 +50738 C C6B B DGD BM . 0.5157 0.9780 1.0953 0.0462 0.0036 -0.0110 518 DGD C C6B ? ? 1 +50739 C C7B A DGD BM . 0.4566 0.9321 1.0469 0.0467 0.0035 -0.0086 518 DGD C C7B ? ? 1 +50740 C C7B B DGD BM . 0.5106 0.9861 1.1012 0.0468 0.0033 -0.0085 518 DGD C C7B ? ? 1 +50741 C C8B A DGD BM . 0.4463 0.9333 1.0423 0.0437 0.0046 -0.0083 518 DGD C C8B ? ? 1 +50742 C C8B B DGD BM . 0.5019 0.9889 1.0982 0.0438 0.0045 -0.0082 518 DGD C C8B ? ? 1 +50743 C C9B A DGD BM . 0.4358 0.9355 1.0426 0.0446 0.0045 -0.0061 518 DGD C C9B ? ? 1 +50744 C C9B B DGD BM . 0.4934 0.9931 1.1005 0.0447 0.0043 -0.0060 518 DGD C C9B ? ? 1 +50745 C CAB A DGD BM . 0.4238 0.9332 1.0360 0.0395 0.0040 -0.0049 518 DGD C CAB ? ? 1 +50746 C CAB B DGD BM . 0.4815 0.9908 1.0938 0.0397 0.0040 -0.0048 518 DGD C CAB ? ? 1 +50747 C CBB A DGD BM . 0.4136 0.9309 1.0341 0.0385 0.0019 -0.0022 518 DGD C CBB ? ? 1 +50748 C CBB B DGD BM . 0.4703 0.9879 1.0910 0.0386 0.0019 -0.0022 518 DGD C CBB ? ? 1 +50749 C CCB A DGD BM . 0.4012 0.9295 1.0282 0.0345 0.0020 -0.0010 518 DGD C CCB ? ? 1 +50750 C CCB B DGD BM . 0.4578 0.9854 1.0842 0.0340 0.0018 -0.0010 518 DGD C CCB ? ? 1 +50751 C CDB A DGD BM . 0.3916 0.9238 1.0235 0.0315 -0.0011 0.0016 518 DGD C CDB ? ? 1 +50752 C CDB B DGD BM . 0.4471 0.9787 1.0785 0.0310 -0.0012 0.0016 518 DGD C CDB ? ? 1 +50753 C CEB A DGD BM . 0.3949 0.9170 1.0204 0.0275 -0.0039 0.0020 518 DGD C CEB ? ? 1 +50754 C CEB B DGD BM . 0.4501 0.9717 1.0753 0.0271 -0.0042 0.0021 518 DGD C CEB ? ? 1 +50755 C CFB A DGD BM . 0.3849 0.9113 1.0126 0.0214 -0.0058 0.0033 518 DGD C CFB ? ? 1 +50756 C CFB B DGD BM . 0.4396 0.9651 1.0669 0.0210 -0.0061 0.0034 518 DGD C CFB ? ? 1 +50757 C CGB A DGD BM . 0.3907 0.9085 1.0140 0.0177 -0.0087 0.0039 518 DGD C CGB ? ? 1 +50758 C CGB B DGD BM . 0.4477 0.9643 1.0704 0.0174 -0.0090 0.0039 518 DGD C CGB ? ? 1 +50759 O O1B A DGD BM . 0.4764 0.9113 1.0267 0.0329 0.0004 -0.0185 518 DGD C O1B ? ? 1 +50760 O O1B B DGD BM . 0.5095 0.9447 1.0599 0.0333 0.0007 -0.0185 518 DGD C O1B ? ? 1 +50761 O O1G A DGD BM . 0.5081 0.9283 1.0541 0.0132 -0.0120 -0.0181 518 DGD C O1G ? ? 1 +50762 O O1G B DGD BM . 0.5606 0.9808 1.1068 0.0133 -0.0120 -0.0180 518 DGD C O1G ? ? 1 +50763 C C1G A DGD BM . 0.4848 0.9143 1.0338 0.0162 -0.0096 -0.0179 518 DGD C C1G ? ? 1 +50764 C C1G B DGD BM . 0.5267 0.9562 1.0759 0.0162 -0.0096 -0.0178 518 DGD C C1G ? ? 1 +50765 C C2G A DGD BM . 0.4833 0.9064 1.0259 0.0223 -0.0063 -0.0199 518 DGD C C2G ? ? 1 +50766 C C2G B DGD BM . 0.5181 0.9413 1.0607 0.0222 -0.0063 -0.0199 518 DGD C C2G ? ? 1 +50767 O O2G A DGD BM . 0.4854 0.9057 1.0296 0.0261 -0.0052 -0.0187 518 DGD C O2G ? ? 1 +50768 O O2G B DGD BM . 0.5194 0.9402 1.0638 0.0263 -0.0050 -0.0187 518 DGD C O2G ? ? 1 +50769 C C3G A DGD BM . 0.4873 0.8973 1.0187 0.0210 -0.0075 -0.0232 518 DGD C C3G ? ? 1 +50770 C C3G B DGD BM . 0.5173 0.9272 1.0488 0.0209 -0.0075 -0.0232 518 DGD C C3G ? ? 1 +50771 O O3G A DGD BM . 0.4717 0.8831 1.0016 0.0157 -0.0102 -0.0243 518 DGD C O3G ? ? 1 +50772 O O3G B DGD BM . 0.4961 0.9069 1.0255 0.0158 -0.0102 -0.0244 518 DGD C O3G ? ? 1 +50773 C C1D A DGD BM . 0.4576 0.8732 0.9852 0.0177 -0.0082 -0.0253 518 DGD C C1D ? ? 1 +50774 C C1D B DGD BM . 0.4752 0.8906 1.0026 0.0177 -0.0082 -0.0254 518 DGD C C1D ? ? 1 +50775 C C2D A DGD BM . 0.4596 0.8704 0.9802 0.0136 -0.0112 -0.0278 518 DGD C C2D ? ? 1 +50776 C C2D B DGD BM . 0.4750 0.8863 0.9959 0.0135 -0.0112 -0.0277 518 DGD C C2D ? ? 1 +50777 O O2D A DGD BM . 0.4761 0.8731 0.9868 0.0143 -0.0118 -0.0308 518 DGD C O2D ? ? 1 +50778 O O2D B DGD BM . 0.4930 0.8905 1.0040 0.0138 -0.0121 -0.0308 518 DGD C O2D ? ? 1 +50779 C C3D A DGD BM . 0.4539 0.8694 0.9720 0.0153 -0.0092 -0.0284 518 DGD C C3D ? ? 1 +50780 C C3D B DGD BM . 0.4676 0.8834 0.9859 0.0154 -0.0090 -0.0284 518 DGD C C3D ? ? 1 +50781 O O3D A DGD BM . 0.4577 0.8707 0.9708 0.0110 -0.0128 -0.0302 518 DGD C O3D ? ? 1 +50782 O O3D B DGD BM . 0.4727 0.8858 0.9857 0.0114 -0.0125 -0.0302 518 DGD C O3D ? ? 1 +50783 C C4D A DGD BM . 0.4359 0.8653 0.9639 0.0161 -0.0071 -0.0254 518 DGD C C4D ? ? 1 +50784 C C4D B DGD BM . 0.4475 0.8771 0.9758 0.0162 -0.0070 -0.0253 518 DGD C C4D ? ? 1 +50785 O O4D A DGD BM . 0.4248 0.8610 0.9591 0.0110 -0.0106 -0.0236 518 DGD C O4D ? ? 1 +50786 O O4D B DGD BM . 0.4359 0.8724 0.9705 0.0111 -0.0105 -0.0235 518 DGD C O4D ? ? 1 +50787 C C5D A DGD BM . 0.4282 0.8611 0.9629 0.0200 -0.0043 -0.0234 518 DGD C C5D ? ? 1 +50788 C C5D B DGD BM . 0.4380 0.8712 0.9729 0.0202 -0.0041 -0.0234 518 DGD C C5D ? ? 1 +50789 O O5D A DGD BM . 0.3979 0.8485 0.9405 0.0218 0.0002 -0.0212 518 DGD C O5D ? ? 1 +50790 O O5D B DGD BM . 0.4001 0.8514 0.9435 0.0219 0.0003 -0.0210 518 DGD C O5D ? ? 1 +50791 C C6D A DGD BM . 0.4067 0.8534 0.9515 0.0208 -0.0023 -0.0206 518 DGD C C6D ? ? 1 +50792 C C6D B DGD BM . 0.4129 0.8598 0.9581 0.0209 -0.0022 -0.0205 518 DGD C C6D ? ? 1 +50793 O O6D A DGD BM . 0.4362 0.8653 0.9731 0.0176 -0.0071 -0.0226 518 DGD C O6D ? ? 1 +50794 O O6D B DGD BM . 0.4504 0.8793 0.9872 0.0179 -0.0070 -0.0227 518 DGD C O6D ? ? 1 +50795 C C1E A DGD BM . 0.3969 0.8468 0.9375 0.0273 0.0050 -0.0222 518 DGD C C1E ? ? 1 +50796 C C1E B DGD BM . 0.3978 0.8477 0.9384 0.0274 0.0050 -0.0223 518 DGD C C1E ? ? 1 +50797 C C2E A DGD BM . 0.3856 0.8473 0.9328 0.0284 0.0085 -0.0207 518 DGD C C2E ? ? 1 +50798 C C2E B DGD BM . 0.3860 0.8476 0.9331 0.0286 0.0086 -0.0207 518 DGD C C2E ? ? 1 +50799 O O2E A DGD BM . 0.3719 0.8436 0.9301 0.0266 0.0072 -0.0178 518 DGD C O2E ? ? 1 +50800 O O2E B DGD BM . 0.3718 0.8436 0.9302 0.0270 0.0075 -0.0178 518 DGD C O2E ? ? 1 +50801 C C3E A DGD BM . 0.3848 0.8465 0.9267 0.0256 0.0081 -0.0213 518 DGD C C3E ? ? 1 +50802 C C3E B DGD BM . 0.3840 0.8460 0.9261 0.0257 0.0083 -0.0213 518 DGD C C3E ? ? 1 +50803 O O3E A DGD BM . 0.3784 0.8494 0.9248 0.0268 0.0121 -0.0201 518 DGD C O3E ? ? 1 +50804 O O3E B DGD BM . 0.3766 0.8480 0.9234 0.0269 0.0122 -0.0200 518 DGD C O3E ? ? 1 +50805 C C4E A DGD BM . 0.3984 0.8482 0.9274 0.0269 0.0085 -0.0245 518 DGD C C4E ? ? 1 +50806 C C4E B DGD BM . 0.3975 0.8477 0.9267 0.0269 0.0086 -0.0244 518 DGD C C4E ? ? 1 +50807 O O4E A DGD BM . 0.4035 0.8522 0.9301 0.0321 0.0139 -0.0257 518 DGD C O4E ? ? 1 +50808 O O4E B DGD BM . 0.4027 0.8514 0.9293 0.0322 0.0139 -0.0257 518 DGD C O4E ? ? 1 +50809 C C5E A DGD BM . 0.4060 0.8456 0.9303 0.0256 0.0045 -0.0260 518 DGD C C5E ? ? 1 +50810 C C5E B DGD BM . 0.4050 0.8449 0.9293 0.0254 0.0045 -0.0259 518 DGD C C5E ? ? 1 +50811 O O6E A DGD BM . 0.4073 0.8467 0.9364 0.0285 0.0057 -0.0253 518 DGD C O6E ? ? 1 +50812 O O6E B DGD BM . 0.4069 0.8461 0.9357 0.0281 0.0054 -0.0253 518 DGD C O6E ? ? 1 +50813 C C6E A DGD BM . 0.4209 0.8482 0.9320 0.0267 0.0046 -0.0294 518 DGD C C6E ? ? 1 +50814 C C6E B DGD BM . 0.4198 0.8473 0.9309 0.0264 0.0045 -0.0293 518 DGD C C6E ? ? 1 +50815 O O5E A DGD BM . 0.4291 0.8534 0.9371 0.0323 0.0096 -0.0306 518 DGD C O5E ? ? 1 +50816 O O5E B DGD BM . 0.4286 0.8523 0.9363 0.0320 0.0092 -0.0307 518 DGD C O5E ? ? 1 +50817 O O6 A SQD BN . 0.7217 1.0915 0.9742 0.0383 -0.0627 -0.0287 409 SQD a O6 ? ? 1 +50818 O O6 B SQD BN . 0.7695 1.1399 1.0229 0.0380 -0.0634 -0.0289 409 SQD a O6 ? ? 1 +50819 C C44 A SQD BN . 0.7309 1.0993 0.9827 0.0409 -0.0528 -0.0254 409 SQD a C44 ? ? 1 +50820 C C44 B SQD BN . 0.7893 1.1579 1.0418 0.0405 -0.0536 -0.0258 409 SQD a C44 ? ? 1 +50821 C C45 A SQD BN . 0.7213 1.1013 0.9922 0.0382 -0.0490 -0.0225 409 SQD a C45 ? ? 1 +50822 C C45 B SQD BN . 0.7906 1.1708 1.0621 0.0379 -0.0495 -0.0228 409 SQD a C45 ? ? 1 +50823 C C46 A SQD BN . 0.7248 1.1032 0.9969 0.0400 -0.0401 -0.0210 409 SQD a C46 ? ? 1 +50824 C C46 B SQD BN . 0.8016 1.1802 1.0738 0.0399 -0.0403 -0.0210 409 SQD a C46 ? ? 1 +50825 O O47 A SQD BN . 0.7225 1.1076 1.0042 0.0334 -0.0556 -0.0256 409 SQD a O47 ? ? 1 +50826 O O47 B SQD BN . 0.7983 1.1839 1.0814 0.0331 -0.0554 -0.0257 409 SQD a O47 ? ? 1 +50827 C C7 A SQD BN . 0.7189 1.1158 1.0172 0.0303 -0.0567 -0.0234 409 SQD a C7 ? ? 1 +50828 C C7 B SQD BN . 0.8086 1.2047 1.1049 0.0300 -0.0594 -0.0244 409 SQD a C7 ? ? 1 +50829 O O49 A SQD BN . 0.7080 1.1109 1.0124 0.0312 -0.0524 -0.0192 409 SQD a O49 ? ? 1 +50830 O O49 B SQD BN . 0.7975 1.1982 1.0960 0.0312 -0.0584 -0.0210 409 SQD a O49 ? ? 1 +50831 C C8 A SQD BN . 0.7214 1.1227 1.0293 0.0254 -0.0636 -0.0270 409 SQD a C8 ? ? 1 +50832 C C8 B SQD BN . 0.8183 1.2197 1.1263 0.0249 -0.0649 -0.0275 409 SQD a C8 ? ? 1 +50833 C C9 A SQD BN . 0.7322 1.1306 1.0432 0.0235 -0.0614 -0.0291 409 SQD a C9 ? ? 1 +50834 C C9 B SQD BN . 0.8423 1.2402 1.1524 0.0235 -0.0618 -0.0294 409 SQD a C9 ? ? 1 +50835 C C10 A SQD BN . 0.7301 1.1357 1.0541 0.0230 -0.0545 -0.0256 409 SQD a C10 ? ? 1 +50836 C C10 B SQD BN . 0.8551 1.2600 1.1776 0.0233 -0.0547 -0.0256 409 SQD a C10 ? ? 1 +50837 C C11 A SQD BN . 0.7394 1.1423 1.0670 0.0212 -0.0527 -0.0276 409 SQD a C11 ? ? 1 +50838 C C11 B SQD BN . 0.8736 1.2767 1.2011 0.0211 -0.0530 -0.0276 409 SQD a C11 ? ? 1 +50839 C C12 A SQD BN . 0.7463 1.1474 1.0735 0.0245 -0.0441 -0.0251 409 SQD a C12 ? ? 1 +50840 C C12 B SQD BN . 0.8852 1.2871 1.2134 0.0241 -0.0445 -0.0251 409 SQD a C12 ? ? 1 +50841 C C13 A SQD BN . 0.7344 1.1465 1.0768 0.0237 -0.0398 -0.0210 409 SQD a C13 ? ? 1 +50842 C C13 B SQD BN . 0.8737 1.2868 1.2172 0.0233 -0.0404 -0.0208 409 SQD a C13 ? ? 1 +50843 C C14 A SQD BN . 0.7346 1.1462 1.0815 0.0248 -0.0338 -0.0202 409 SQD a C14 ? ? 1 +50844 C C14 B SQD BN . 0.8726 1.2858 1.2211 0.0244 -0.0342 -0.0198 409 SQD a C14 ? ? 1 +50845 C C15 A SQD BN . 0.7288 1.1423 1.0849 0.0207 -0.0366 -0.0221 409 SQD a C15 ? ? 1 +50846 C C15 B SQD BN . 0.8601 1.2745 1.2171 0.0204 -0.0369 -0.0219 409 SQD a C15 ? ? 1 +50847 C C16 A SQD BN . 0.7127 1.1379 1.0846 0.0169 -0.0387 -0.0200 409 SQD a C16 ? ? 1 +50848 C C16 B SQD BN . 0.8348 1.2607 1.2075 0.0164 -0.0394 -0.0201 409 SQD a C16 ? ? 1 +50849 C C17 A SQD BN . 0.7081 1.1348 1.0889 0.0129 -0.0406 -0.0216 409 SQD a C17 ? ? 1 +50850 C C17 B SQD BN . 0.8235 1.2504 1.2046 0.0126 -0.0410 -0.0218 409 SQD a C17 ? ? 1 +50851 C C18 A SQD BN . 0.7082 1.1330 1.0914 0.0147 -0.0348 -0.0206 409 SQD a C18 ? ? 1 +50852 C C18 B SQD BN . 0.8182 1.2434 1.2017 0.0146 -0.0350 -0.0206 409 SQD a C18 ? ? 1 +50853 C C19 A SQD BN . 0.6988 1.1277 1.0935 0.0108 -0.0359 -0.0207 409 SQD a C19 ? ? 1 +50854 C C19 B SQD BN . 0.8028 1.2312 1.1970 0.0108 -0.0360 -0.0209 409 SQD a C19 ? ? 1 +50855 C C20 A SQD BN . 0.6837 1.1248 1.0925 0.0082 -0.0369 -0.0179 409 SQD a C20 ? ? 1 +50856 C C20 B SQD BN . 0.7790 1.2197 1.1879 0.0082 -0.0366 -0.0180 409 SQD a C20 ? ? 1 +50857 C C21 A SQD BN . 0.6736 1.1186 1.0934 0.0056 -0.0360 -0.0171 409 SQD a C21 ? ? 1 +50858 C C21 B SQD BN . 0.7610 1.2047 1.1800 0.0057 -0.0357 -0.0175 409 SQD a C21 ? ? 1 +50859 C C22 A SQD BN . 0.6832 1.1215 1.1007 0.0018 -0.0395 -0.0209 409 SQD a C22 ? ? 1 +50860 C C22 B SQD BN . 0.7677 1.2052 1.1847 0.0016 -0.0398 -0.0213 409 SQD a C22 ? ? 1 +50861 O O48 A SQD BN . 0.7436 1.1130 1.0075 0.0404 -0.0407 -0.0251 409 SQD a O48 ? ? 1 +50862 O O48 B SQD BN . 0.8308 1.2004 1.0949 0.0403 -0.0406 -0.0250 409 SQD a O48 ? ? 1 +50863 C C23 A SQD BN . 0.7488 1.1207 1.0216 0.0392 -0.0370 -0.0252 409 SQD a C23 ? ? 1 +50864 C C23 B SQD BN . 0.8554 1.2275 1.1285 0.0392 -0.0368 -0.0250 409 SQD a C23 ? ? 1 +50865 O O10 A SQD BN . 0.7352 1.1166 1.0223 0.0378 -0.0338 -0.0222 409 SQD a O10 ? ? 1 +50866 O O10 B SQD BN . 0.8443 1.2259 1.1316 0.0379 -0.0335 -0.0221 409 SQD a O10 ? ? 1 +50867 C C24 A SQD BN . 0.7711 1.1324 1.0339 0.0399 -0.0376 -0.0294 409 SQD a C24 ? ? 1 +50868 C C24 B SQD BN . 0.8923 1.2536 1.1550 0.0401 -0.0373 -0.0293 409 SQD a C24 ? ? 1 +50869 C C25 A SQD BN . 0.7715 1.1355 1.0450 0.0378 -0.0354 -0.0300 409 SQD a C25 ? ? 1 +50870 C C25 B SQD BN . 0.9088 1.2727 1.1822 0.0377 -0.0357 -0.0302 409 SQD a C25 ? ? 1 +50871 C C26 A SQD BN . 0.7945 1.1470 1.0571 0.0399 -0.0332 -0.0333 409 SQD a C26 ? ? 1 +50872 C C26 B SQD BN . 0.9469 1.2993 1.2092 0.0398 -0.0335 -0.0335 409 SQD a C26 ? ? 1 +50873 C C27 A SQD BN . 0.7987 1.1522 1.0704 0.0368 -0.0340 -0.0352 409 SQD a C27 ? ? 1 +50874 C C27 B SQD BN . 0.9687 1.3214 1.2393 0.0363 -0.0354 -0.0358 409 SQD a C27 ? ? 1 +50875 C C28 A SQD BN . 0.8217 1.1640 1.0835 0.0394 -0.0307 -0.0378 409 SQD a C28 ? ? 1 +50876 C C28 B SQD BN . 1.0029 1.3458 1.2657 0.0391 -0.0310 -0.0378 409 SQD a C28 ? ? 1 +50877 C C29 A SQD BN . 0.8304 1.1717 1.0991 0.0359 -0.0328 -0.0402 409 SQD a C29 ? ? 1 +50878 C C29 B SQD BN . 1.0268 1.3694 1.2975 0.0356 -0.0328 -0.0398 409 SQD a C29 ? ? 1 +50879 C C30 A SQD BN . 0.8456 1.1839 1.1153 0.0390 -0.0260 -0.0394 409 SQD a C30 ? ? 1 +50880 C C30 B SQD BN . 1.0650 1.4029 1.3344 0.0389 -0.0262 -0.0396 409 SQD a C30 ? ? 1 +50881 C C31 A SQD BN . 0.8512 1.1901 1.1302 0.0354 -0.0275 -0.0407 409 SQD a C31 ? ? 1 +50882 C C31 B SQD BN . 1.0861 1.4249 1.3650 0.0355 -0.0273 -0.0407 409 SQD a C31 ? ? 1 +50883 C C32 A SQD BN . 0.8704 1.2002 1.1434 0.0386 -0.0229 -0.0421 409 SQD a C32 ? ? 1 +50884 C C32 B SQD BN . 1.1171 1.4467 1.3899 0.0388 -0.0227 -0.0421 409 SQD a C32 ? ? 1 +50885 C C33 A SQD BN . 0.8974 1.2125 1.1526 0.0403 -0.0245 -0.0465 409 SQD a C33 ? ? 1 +50886 C C33 B SQD BN . 1.1529 1.4677 1.4080 0.0405 -0.0242 -0.0465 409 SQD a C33 ? ? 1 +50887 C C34 A SQD BN . 0.9105 1.2208 1.1621 0.0350 -0.0327 -0.0506 409 SQD a C34 ? ? 1 +50888 C C34 B SQD BN . 1.1753 1.4851 1.4267 0.0351 -0.0324 -0.0507 409 SQD a C34 ? ? 1 +50889 C C35 A SQD BN . 0.9396 1.2347 1.1735 0.0365 -0.0344 -0.0553 409 SQD a C35 ? ? 1 +50890 C C35 B SQD BN . 1.2158 1.5104 1.4493 0.0367 -0.0341 -0.0553 409 SQD a C35 ? ? 1 +50891 C C36 A SQD BN . 0.9533 1.2386 1.1827 0.0384 -0.0307 -0.0570 409 SQD a C36 ? ? 1 +50892 C C36 B SQD BN . 1.2357 1.5201 1.4646 0.0382 -0.0310 -0.0574 409 SQD a C36 ? ? 1 +50893 C C37 A SQD BN . 0.9578 1.2390 1.1907 0.0327 -0.0355 -0.0602 409 SQD a C37 ? ? 1 +50894 C C37 B SQD BN . 1.2406 1.5221 1.4743 0.0322 -0.0358 -0.0603 409 SQD a C37 ? ? 1 +50895 C C38 A SQD BN . 0.9760 1.2440 1.1944 0.0308 -0.0407 -0.0658 409 SQD a C38 ? ? 1 +50896 C C38 B SQD BN . 1.2536 1.5226 1.4740 0.0297 -0.0415 -0.0659 409 SQD a C38 ? ? 1 +50897 C C1 A SQD BN . 0.7201 1.0864 0.9617 0.0410 -0.0661 -0.0280 409 SQD a C1 ? ? 1 +50898 C C1 B SQD BN . 0.7575 1.1244 0.9999 0.0408 -0.0665 -0.0281 409 SQD a C1 ? ? 1 +50899 C C2 A SQD BN . 0.7147 1.0855 0.9603 0.0384 -0.0764 -0.0308 409 SQD a C2 ? ? 1 +50900 C C2 B SQD BN . 0.7492 1.1200 0.9946 0.0383 -0.0769 -0.0310 409 SQD a C2 ? ? 1 +50901 O O2 A SQD BN . 0.6967 1.0800 0.9621 0.0340 -0.0780 -0.0300 409 SQD a O2 ? ? 1 +50902 O O2 B SQD BN . 0.7304 1.1136 0.9954 0.0338 -0.0791 -0.0305 409 SQD a O2 ? ? 1 +50903 C C3 A SQD BN . 0.7210 1.0890 0.9561 0.0420 -0.0787 -0.0289 409 SQD a C3 ? ? 1 +50904 C C3 B SQD BN . 0.7533 1.1215 0.9886 0.0420 -0.0788 -0.0288 409 SQD a C3 ? ? 1 +50905 O O3 A SQD BN . 0.7260 1.0977 0.9636 0.0403 -0.0887 -0.0318 409 SQD a O3 ? ? 1 +50906 O O3 B SQD BN . 0.7632 1.1348 1.0002 0.0405 -0.0888 -0.0316 409 SQD a O3 ? ? 1 +50907 C C4 A SQD BN . 0.7405 1.0945 0.9539 0.0468 -0.0759 -0.0294 409 SQD a C4 ? ? 1 +50908 C C4 B SQD BN . 0.7717 1.1260 0.9854 0.0469 -0.0756 -0.0290 409 SQD a C4 ? ? 1 +50909 O O4 A SQD BN . 0.7505 1.1022 0.9552 0.0504 -0.0752 -0.0260 409 SQD a O4 ? ? 1 +50910 O O4 B SQD BN . 0.7824 1.1350 0.9884 0.0505 -0.0740 -0.0253 409 SQD a O4 ? ? 1 +50911 C C5 A SQD BN . 0.7387 1.0880 0.9492 0.0484 -0.0659 -0.0278 409 SQD a C5 ? ? 1 +50912 C C5 B SQD BN . 0.7677 1.1175 0.9788 0.0483 -0.0657 -0.0276 409 SQD a C5 ? ? 1 +50913 C C6 A SQD BN . 0.7540 1.0890 0.9434 0.0526 -0.0634 -0.0295 409 SQD a C6 ? ? 1 +50914 C C6 B SQD BN . 0.7783 1.1137 0.9684 0.0525 -0.0633 -0.0294 409 SQD a C6 ? ? 1 +50915 O O5 A SQD BN . 0.7341 1.0873 0.9561 0.0448 -0.0653 -0.0300 409 SQD a O5 ? ? 1 +50916 O O5 B SQD BN . 0.7671 1.1210 0.9900 0.0446 -0.0655 -0.0299 409 SQD a O5 ? ? 1 +50917 S S A SQD BN . 0.7470 1.0786 0.9352 0.0548 -0.0510 -0.0271 409 SQD a S ? ? 1 +50918 S S B SQD BN . 0.7660 1.0978 0.9548 0.0547 -0.0511 -0.0272 409 SQD a S ? ? 1 +50919 O O7 A SQD BN . 0.7690 1.0876 0.9365 0.0595 -0.0480 -0.0276 409 SQD a O7 ? ? 1 +50920 O O7 B SQD BN . 0.7892 1.1076 0.9573 0.0591 -0.0487 -0.0284 409 SQD a O7 ? ? 1 +50921 O O8 A SQD BN . 0.7393 1.0716 0.9349 0.0518 -0.0523 -0.0308 409 SQD a O8 ? ? 1 +50922 O O8 B SQD BN . 0.7535 1.0879 0.9523 0.0511 -0.0524 -0.0305 409 SQD a O8 ? ? 1 +50923 O O9 A SQD BN . 0.7296 1.0713 0.9317 0.0540 -0.0451 -0.0221 409 SQD a O9 ? ? 1 +50924 O O9 B SQD BN . 0.7496 1.0906 0.9503 0.0544 -0.0446 -0.0220 409 SQD a O9 ? ? 1 +50925 C C1 . BCR BO . 0.1684 0.8346 0.8760 -0.0458 -0.0339 0.0270 617 BCR b C1 ? ? 1 +50926 C C2 . BCR BO . 0.1691 0.8296 0.8715 -0.0453 -0.0322 0.0283 617 BCR b C2 ? ? 1 +50927 C C3 . BCR BO . 0.1667 0.8259 0.8659 -0.0426 -0.0328 0.0297 617 BCR b C3 ? ? 1 +50928 C C4 . BCR BO . 0.1630 0.8253 0.8648 -0.0409 -0.0330 0.0312 617 BCR b C4 ? ? 1 +50929 C C5 . BCR BO . 0.1617 0.8287 0.8681 -0.0413 -0.0343 0.0303 617 BCR b C5 ? ? 1 +50930 C C6 . BCR BO . 0.1665 0.8356 0.8759 -0.0434 -0.0348 0.0283 617 BCR b C6 ? ? 1 +50931 C C7 . BCR BO . 0.1648 0.8390 0.8789 -0.0430 -0.0363 0.0275 617 BCR b C7 ? ? 1 +50932 C C8 . BCR BO . 0.1648 0.8419 0.8806 -0.0430 -0.0387 0.0258 617 BCR b C8 ? ? 1 +50933 C C9 . BCR BO . 0.1625 0.8448 0.8832 -0.0423 -0.0403 0.0250 617 BCR b C9 ? ? 1 +50934 C C10 . BCR BO . 0.1638 0.8486 0.8850 -0.0409 -0.0434 0.0239 617 BCR b C10 ? ? 1 +50935 C C11 . BCR BO . 0.1587 0.8488 0.8845 -0.0398 -0.0455 0.0226 617 BCR b C11 ? ? 1 +50936 C C33 . BCR BO . 0.1560 0.8250 0.8635 -0.0391 -0.0351 0.0316 617 BCR b C33 ? ? 1 +50937 C C31 . BCR BO . 0.1733 0.8399 0.8801 -0.0464 -0.0361 0.0252 617 BCR b C31 ? ? 1 +50938 C C32 . BCR BO . 0.1674 0.8353 0.8790 -0.0485 -0.0323 0.0258 617 BCR b C32 ? ? 1 +50939 C C34 . BCR BO . 0.1573 0.8427 0.8828 -0.0428 -0.0386 0.0250 617 BCR b C34 ? ? 1 +50940 C C12 . BCR BO . 0.1562 0.8483 0.8818 -0.0380 -0.0490 0.0216 617 BCR b C12 ? ? 1 +50941 C C13 . BCR BO . 0.1524 0.8497 0.8823 -0.0361 -0.0515 0.0205 617 BCR b C13 ? ? 1 +50942 C C14 . BCR BO . 0.1529 0.8510 0.8809 -0.0339 -0.0553 0.0196 617 BCR b C14 ? ? 1 +50943 C C15 . BCR BO . 0.1518 0.8538 0.8821 -0.0310 -0.0584 0.0189 617 BCR b C15 ? ? 1 +50944 C C16 . BCR BO . 0.1537 0.8557 0.8810 -0.0284 -0.0623 0.0181 617 BCR b C16 ? ? 1 +50945 C C17 . BCR BO . 0.1549 0.8606 0.8844 -0.0252 -0.0655 0.0174 617 BCR b C17 ? ? 1 +50946 C C18 . BCR BO . 0.1579 0.8627 0.8833 -0.0218 -0.0696 0.0171 617 BCR b C18 ? ? 1 +50947 C C19 . BCR BO . 0.1642 0.8731 0.8925 -0.0183 -0.0725 0.0164 617 BCR b C19 ? ? 1 +50948 C C20 . BCR BO . 0.1710 0.8790 0.8952 -0.0142 -0.0768 0.0162 617 BCR b C20 ? ? 1 +50949 C C21 . BCR BO . 0.1709 0.8833 0.8987 -0.0106 -0.0796 0.0153 617 BCR b C21 ? ? 1 +50950 C C22 . BCR BO . 0.1771 0.8876 0.9000 -0.0057 -0.0837 0.0156 617 BCR b C22 ? ? 1 +50951 C C23 . BCR BO . 0.1770 0.8925 0.9045 -0.0021 -0.0864 0.0145 617 BCR b C23 ? ? 1 +50952 C C24 . BCR BO . 0.1825 0.8974 0.9062 0.0029 -0.0911 0.0141 617 BCR b C24 ? ? 1 +50953 C C25 . BCR BO . 0.1830 0.9028 0.9112 0.0072 -0.0941 0.0130 617 BCR b C25 ? ? 1 +50954 C C26 . BCR BO . 0.1776 0.8993 0.9105 0.0080 -0.0916 0.0138 617 BCR b C26 ? ? 1 +50955 C C27 . BCR BO . 0.1804 0.9085 0.9192 0.0124 -0.0949 0.0119 617 BCR b C27 ? ? 1 +50956 C C28 . BCR BO . 0.1897 0.9192 0.9257 0.0170 -0.1014 0.0101 617 BCR b C28 ? ? 1 +50957 C C29 . BCR BO . 0.1897 0.9221 0.9264 0.0142 -0.1039 0.0077 617 BCR b C29 ? ? 1 +50958 C C30 . BCR BO . 0.1893 0.9130 0.9174 0.0106 -0.1006 0.0101 617 BCR b C30 ? ? 1 +50959 C C35 . BCR BO . 0.1459 0.8475 0.8819 -0.0362 -0.0501 0.0203 617 BCR b C35 ? ? 1 +50960 C C36 . BCR BO . 0.1595 0.8589 0.8769 -0.0217 -0.0708 0.0174 617 BCR b C36 ? ? 1 +50961 C C37 . BCR BO . 0.1831 0.8854 0.8948 -0.0042 -0.0848 0.0174 617 BCR b C37 ? ? 1 +50962 C C38 . BCR BO . 0.1645 0.8824 0.8973 0.0049 -0.0856 0.0164 617 BCR b C38 ? ? 1 +50963 C C39 . BCR BO . 0.1883 0.9170 0.9207 0.0063 -0.1019 0.0069 617 BCR b C39 ? ? 1 +50964 C C40 . BCR BO . 0.1986 0.9124 0.9133 0.0148 -0.1030 0.0126 617 BCR b C40 ? ? 1 +50965 MG MG . CLA BP . 0.9706 1.1730 1.0058 0.1698 0.1470 -0.0518 514 CLA c MG ? ? 1 +50966 C CHA . CLA BP . 1.0333 1.2057 1.0178 0.1796 0.1618 -0.0549 514 CLA c CHA ? ? 1 +50967 C CHB . CLA BP . 0.9438 1.1797 1.0085 0.1671 0.1646 -0.0420 514 CLA c CHB ? ? 1 +50968 C CHC . CLA BP . 0.9190 1.1534 1.0075 0.1678 0.1425 -0.0498 514 CLA c CHC ? ? 1 +50969 C CHD . CLA BP . 1.0016 1.1699 1.0096 0.1771 0.1369 -0.0633 514 CLA c CHD ? ? 1 +50970 N NA . CLA BP . 0.9837 1.1885 1.0113 0.1734 0.1614 -0.0490 514 CLA c NA ? ? 1 +50971 C C1A . CLA BP . 1.0118 1.2036 1.0187 0.1771 0.1664 -0.0505 514 CLA c C1A ? ? 1 +50972 C C2A . CLA BP . 1.0212 1.2175 1.0262 0.1780 0.1767 -0.0474 514 CLA c C2A ? ? 1 +50973 C C3A . CLA BP . 0.9890 1.2048 1.0188 0.1732 0.1764 -0.0433 514 CLA c C3A ? ? 1 +50974 C C4A . CLA BP . 0.9696 1.1890 1.0115 0.1710 0.1667 -0.0448 514 CLA c C4A ? ? 1 +50975 C CMA . CLA BP . 0.9822 1.1993 1.0095 0.1676 0.1735 -0.0397 514 CLA c CMA ? ? 1 +50976 C CAA . CLA BP . 1.0493 1.2437 1.0490 0.1852 0.1891 -0.0489 514 CLA c CAA ? ? 1 +50977 C CBA . CLA BP . 1.0542 1.2563 1.0686 0.1893 0.1914 -0.0509 514 CLA c CBA ? ? 1 +50978 C CGA . CLA BP . 1.0841 1.2889 1.0981 0.1959 0.2046 -0.0516 514 CLA c CGA ? ? 1 +50979 O O1A . CLA BP . 1.0925 1.2963 1.0989 0.1966 0.2128 -0.0500 514 CLA c O1A ? ? 1 +50980 O O2A . CLA BP . 1.1257 1.3343 1.1485 0.2016 0.2079 -0.0543 514 CLA c O2A ? ? 1 +50981 N NB . CLA BP . 0.9359 1.1662 1.0061 0.1681 0.1525 -0.0471 514 CLA c NB ? ? 1 +50982 C C1B . CLA BP . 0.9263 1.1688 1.0062 0.1665 0.1588 -0.0432 514 CLA c C1B ? ? 1 +50983 C C2B . CLA BP . 0.9004 1.1626 1.0064 0.1647 0.1606 -0.0404 514 CLA c C2B ? ? 1 +50984 C C3B . CLA BP . 0.8954 1.1563 1.0073 0.1652 0.1538 -0.0429 514 CLA c C3B ? ? 1 +50985 C C4B . CLA BP . 0.9172 1.1585 1.0066 0.1669 0.1493 -0.0466 514 CLA c C4B ? ? 1 +50986 C CMB . CLA BP . 0.8869 1.1649 1.0077 0.1625 0.1675 -0.0363 514 CLA c CMB ? ? 1 +50987 C CAB . CLA BP . 0.8750 1.1495 1.0089 0.1643 0.1512 -0.0421 514 CLA c CAB ? ? 1 +50988 C CBB . CLA BP . 0.8573 1.1492 1.0112 0.1624 0.1544 -0.0388 514 CLA c CBB ? ? 1 +50989 N NC . CLA BP . 0.9611 1.1632 1.0072 0.1721 0.1416 -0.0554 514 CLA c NC ? ? 1 +50990 C C1C . CLA BP . 0.9407 1.1561 1.0081 0.1706 0.1397 -0.0541 514 CLA c C1C ? ? 1 +50991 C C2C . CLA BP . 0.9410 1.1511 1.0101 0.1726 0.1353 -0.0572 514 CLA c C2C ? ? 1 +50992 C C3C . CLA BP . 0.9651 1.1554 1.0104 0.1751 0.1336 -0.0612 514 CLA c C3C ? ? 1 +50993 C C4C . CLA BP . 0.9745 1.1619 1.0079 0.1744 0.1371 -0.0598 514 CLA c C4C ? ? 1 +50994 C CMC . CLA BP . 0.9218 1.1433 1.0112 0.1721 0.1331 -0.0564 514 CLA c CMC ? ? 1 +50995 C CAC . CLA BP . 0.9793 1.1551 1.0142 0.1776 0.1293 -0.0657 514 CLA c CAC ? ? 1 +50996 C CBC . CLA BP . 0.9910 1.1627 1.0206 0.1862 0.1385 -0.0678 514 CLA c CBC ? ? 1 +50997 N ND . CLA BP . 1.0063 1.1861 1.0141 0.1781 0.1510 -0.0576 514 CLA c ND ? ? 1 +50998 C C1D . CLA BP . 1.0171 1.1817 1.0122 0.1785 0.1429 -0.0621 514 CLA c C1D ? ? 1 +50999 C C2D . CLA BP . 1.0467 1.1921 1.0150 0.1809 0.1426 -0.0652 514 CLA c C2D ? ? 1 +51000 C C3D . CLA BP . 1.0493 1.1990 1.0144 0.1815 0.1503 -0.0620 514 CLA c C3D ? ? 1 +51001 C C4D . CLA BP . 1.0273 1.1956 1.0146 0.1793 0.1538 -0.0580 514 CLA c C4D ? ? 1 +51002 C CMD . CLA BP . 1.0712 1.1968 1.0186 0.1825 0.1368 -0.0702 514 CLA c CMD ? ? 1 +51003 C CAD . CLA BP . 1.0704 1.2106 1.0159 0.1833 0.1554 -0.0616 514 CLA c CAD ? ? 1 +51004 O OBD . CLA BP . 1.0944 1.2168 1.0162 0.1855 0.1537 -0.0648 514 CLA c OBD ? ? 1 +51005 C CBD . CLA BP . 1.0636 1.2181 1.0211 0.1821 0.1633 -0.0568 514 CLA c CBD ? ? 1 +51006 C CGD . CLA BP . 1.0736 1.2248 1.0221 0.1775 0.1589 -0.0545 514 CLA c CGD ? ? 1 +51007 O O1D . CLA BP . 1.0570 1.2130 1.0135 0.1717 0.1498 -0.0531 514 CLA c O1D ? ? 1 +51008 O O2D . CLA BP . 1.1073 1.2486 1.0362 0.1804 0.1660 -0.0540 514 CLA c O2D ? ? 1 +51009 C CED . CLA BP . 1.1251 1.2549 1.0362 0.1777 0.1593 -0.0539 514 CLA c CED ? ? 1 +51010 C C1 . CLA BP . 1.1545 1.3728 1.1861 0.2069 0.2203 -0.0542 514 CLA c C1 ? ? 1 +51011 C C2 . CLA BP . 1.1605 1.3952 1.2169 0.2082 0.2200 -0.0541 514 CLA c C2 ? ? 1 +51012 C C3 . CLA BP . 1.2001 1.4303 1.2567 0.2129 0.2172 -0.0575 514 CLA c C3 ? ? 1 +51013 C C4 . CLA BP . 1.2172 1.4257 1.2494 0.2168 0.2144 -0.0617 514 CLA c C4 ? ? 1 +51014 C C5 . CLA BP . 1.2131 1.4601 1.2946 0.2143 0.2169 -0.0572 514 CLA c C5 ? ? 1 +51015 C C6 . CLA BP . 1.2383 1.4770 1.3181 0.2150 0.2070 -0.0598 514 CLA c C6 ? ? 1 +51016 C C7 . CLA BP . 1.2399 1.4952 1.3447 0.2132 0.2030 -0.0582 514 CLA c C7 ? ? 1 +51017 C C8 . CLA BP . 1.2683 1.5160 1.3722 0.2166 0.1965 -0.0613 514 CLA c C8 ? ? 1 +51018 C C9 . CLA BP . 1.2956 1.5206 1.3756 0.2191 0.1922 -0.0653 514 CLA c C9 ? ? 1 +51019 C C10 . CLA BP . 1.2576 1.5200 1.3845 0.2158 0.1924 -0.0600 514 CLA c C10 ? ? 1 +51020 C C11 . CLA BP . 1.2486 1.5322 1.3973 0.2116 0.1952 -0.0560 514 CLA c C11 ? ? 1 +51021 C C12 . CLA BP . 1.2328 1.5319 1.4041 0.2139 0.1946 -0.0555 514 CLA c C12 ? ? 1 +51022 C C13 . CLA BP . 1.2047 1.5152 1.3921 0.2062 0.1871 -0.0521 514 CLA c C13 ? ? 1 +51023 C C14 . CLA BP . 1.1926 1.5155 1.3883 0.2010 0.1914 -0.0485 514 CLA c C14 ? ? 1 +51024 C C15 . CLA BP . 1.1895 1.4855 1.3649 0.2012 0.1759 -0.0527 514 CLA c C15 ? ? 1 +51025 C C16 . CLA BP . 1.1546 1.4599 1.3466 0.1963 0.1676 -0.0507 514 CLA c C16 ? ? 1 +51026 C C17 . CLA BP . 1.1503 1.4407 1.3294 0.1913 0.1573 -0.0516 514 CLA c C17 ? ? 1 +51027 C C18 . CLA BP . 1.1132 1.4094 1.3056 0.1868 0.1486 -0.0503 514 CLA c C18 ? ? 1 +51028 C C19 . CLA BP . 1.1055 1.3918 1.2897 0.1795 0.1386 -0.0502 514 CLA c C19 ? ? 1 +51029 C C20 . CLA BP . 1.0857 1.3952 1.2975 0.1901 0.1494 -0.0497 514 CLA c C20 ? ? 1 +51030 C C1 . LMG BQ . 0.6325 0.8827 0.9632 -0.0480 -0.0409 -0.0656 412 LMG d C1 ? ? 1 +51031 O O1 . LMG BQ . 0.6461 0.9019 0.9745 -0.0451 -0.0438 -0.0671 412 LMG d O1 ? ? 1 +51032 C C2 . LMG BQ . 0.6310 0.8738 0.9551 -0.0398 -0.0358 -0.0622 412 LMG d C2 ? ? 1 +51033 O O2 . LMG BQ . 0.6124 0.8692 0.9441 -0.0336 -0.0343 -0.0579 412 LMG d O2 ? ? 1 +51034 C C3 . LMG BQ . 0.6309 0.8651 0.9551 -0.0425 -0.0327 -0.0609 412 LMG d C3 ? ? 1 +51035 O O3 . LMG BQ . 0.6355 0.8613 0.9521 -0.0345 -0.0284 -0.0582 412 LMG d O3 ? ? 1 +51036 C C4 . LMG BQ . 0.6446 0.8648 0.9618 -0.0502 -0.0342 -0.0655 412 LMG d C4 ? ? 1 +51037 O O4 . LMG BQ . 0.6595 0.8629 0.9608 -0.0464 -0.0333 -0.0682 412 LMG d O4 ? ? 1 +51038 C C5 . LMG BQ . 0.6393 0.8689 0.9643 -0.0582 -0.0393 -0.0690 412 LMG d C5 ? ? 1 +51039 O O5 . LMG BQ . 0.6539 0.8638 0.9741 -0.0711 -0.0386 -0.0735 412 LMG d O5 ? ? 1 +51040 C C6 . LMG BQ . 0.6528 0.8697 0.9713 -0.0662 -0.0414 -0.0743 412 LMG d C6 ? ? 1 +51041 O O6 . LMG BQ . 0.6418 0.8787 0.9656 -0.0545 -0.0423 -0.0701 412 LMG d O6 ? ? 1 +51042 C C7 . LMG BQ . 0.6592 0.9242 0.9946 -0.0516 -0.0490 -0.0699 412 LMG d C7 ? ? 1 +51043 C C8 . LMG BQ . 0.6579 0.9412 1.0043 -0.0491 -0.0504 -0.0669 412 LMG d C8 ? ? 1 +51044 C C9 . LMG BQ . 0.6666 0.9585 1.0185 -0.0548 -0.0563 -0.0703 412 LMG d C9 ? ? 1 +51045 O O7 . LMG BQ . 0.6711 0.9544 1.0107 -0.0403 -0.0484 -0.0649 412 LMG d O7 ? ? 1 +51046 C C10 . LMG BQ . 0.6834 0.9751 1.0292 -0.0349 -0.0448 -0.0599 412 LMG d C10 ? ? 1 +51047 O O9 . LMG BQ . 0.6656 0.9650 1.0221 -0.0369 -0.0435 -0.0570 412 LMG d O9 ? ? 1 +51048 C C11 . LMG BQ . 0.7145 1.0045 1.0525 -0.0261 -0.0422 -0.0583 412 LMG d C11 ? ? 1 +51049 C C12 . LMG BQ . 0.7438 1.0410 1.0808 -0.0247 -0.0453 -0.0593 412 LMG d C12 ? ? 1 +51050 C C13 . LMG BQ . 0.7604 1.0731 1.1106 -0.0293 -0.0491 -0.0586 412 LMG d C13 ? ? 1 +51051 C C14 . LMG BQ . 0.7860 1.1097 1.1386 -0.0250 -0.0498 -0.0565 412 LMG d C14 ? ? 1 +51052 C C15 . LMG BQ . 0.8068 1.1450 1.1720 -0.0294 -0.0537 -0.0559 412 LMG d C15 ? ? 1 +51053 C C16 . LMG BQ . 0.8379 1.1881 1.2079 -0.0250 -0.0532 -0.0525 412 LMG d C16 ? ? 1 +51054 C C17 . LMG BQ . 0.8912 1.2542 1.2721 -0.0295 -0.0578 -0.0526 412 LMG d C17 ? ? 1 +51055 C C18 . LMG BQ . 0.9243 1.3008 1.3136 -0.0261 -0.0566 -0.0483 412 LMG d C18 ? ? 1 +51056 C C19 . LMG BQ . 0.9595 1.3488 1.3633 -0.0312 -0.0595 -0.0474 412 LMG d C19 ? ? 1 +51057 C C20 . LMG BQ . 0.9788 1.3797 1.3875 -0.0295 -0.0618 -0.0456 412 LMG d C20 ? ? 1 +51058 C C21 . LMG BQ . 1.0155 1.4259 1.4343 -0.0352 -0.0670 -0.0473 412 LMG d C21 ? ? 1 +51059 C C22 . LMG BQ . 1.1031 1.5079 1.5167 -0.0397 -0.0725 -0.0528 412 LMG d C22 ? ? 1 +51060 C C23 . LMG BQ . 1.1851 1.5843 1.5861 -0.0361 -0.0753 -0.0551 412 LMG d C23 ? ? 1 +51061 C C24 . LMG BQ . 1.2449 1.6370 1.6395 -0.0405 -0.0807 -0.0610 412 LMG d C24 ? ? 1 +51062 C C25 . LMG BQ . 1.2590 1.6461 1.6411 -0.0370 -0.0841 -0.0634 412 LMG d C25 ? ? 1 +51063 O O8 . LMG BQ . 0.6664 0.9740 1.0266 -0.0514 -0.0575 -0.0674 412 LMG d O8 ? ? 1 +51064 C C28 . LMG BQ . 0.6878 1.0039 1.0528 -0.0551 -0.0628 -0.0699 412 LMG d C28 ? ? 1 +51065 O O10 . LMG BQ . 0.6928 1.0052 1.0565 -0.0612 -0.0668 -0.0745 412 LMG d O10 ? ? 1 +51066 C C29 . LMG BQ . 0.6951 1.0258 1.0672 -0.0508 -0.0634 -0.0664 412 LMG d C29 ? ? 1 +51067 C C30 . LMG BQ . 0.7095 1.0526 1.0915 -0.0558 -0.0690 -0.0683 412 LMG d C30 ? ? 1 +51068 C C31 . LMG BQ . 0.7185 1.0775 1.1127 -0.0535 -0.0683 -0.0637 412 LMG d C31 ? ? 1 +51069 C C32 . LMG BQ . 0.7395 1.1081 1.1356 -0.0524 -0.0730 -0.0645 412 LMG d C32 ? ? 1 +51070 C C33 . LMG BQ . 0.7653 1.1387 1.1669 -0.0593 -0.0793 -0.0690 412 LMG d C33 ? ? 1 +51071 C C34 . LMG BQ . 0.7982 1.1793 1.1995 -0.0573 -0.0844 -0.0700 412 LMG d C34 ? ? 1 +51072 C C35 . LMG BQ . 0.8427 1.2291 1.2496 -0.0637 -0.0911 -0.0749 412 LMG d C35 ? ? 1 +51073 C C36 . LMG BQ . 0.8792 1.2731 1.2853 -0.0612 -0.0966 -0.0759 412 LMG d C36 ? ? 1 +51074 C C37 . LMG BQ . 0.9125 1.3081 1.3199 -0.0667 -0.1040 -0.0819 412 LMG d C37 ? ? 1 +51075 C C38 . LMG BQ . 0.9538 1.3359 1.3460 -0.0664 -0.1067 -0.0867 412 LMG d C38 ? ? 1 +51076 C C39 . LMG BQ . 0.9770 1.3532 1.3552 -0.0585 -0.1062 -0.0852 412 LMG d C39 ? ? 1 +51077 C C40 . LMG BQ . 1.0148 1.3803 1.3788 -0.0584 -0.1109 -0.0906 412 LMG d C40 ? ? 1 +51078 C C41 . LMG BQ . 1.0216 1.3947 1.3887 -0.0610 -0.1194 -0.0948 412 LMG d C41 ? ? 1 +51079 C C42 . LMG BQ . 1.0337 1.3963 1.3851 -0.0594 -0.1242 -0.0997 412 LMG d C42 ? ? 1 +51080 C C43 . LMG BQ . 1.0194 1.3901 1.3717 -0.0590 -0.1323 -0.1025 412 LMG d C43 ? ? 1 +51081 C C1 . LMG BR . 1.7149 1.7776 1.5587 0.1867 0.1348 -0.0759 101 LMG z C1 ? ? 1 +51082 O O1 . LMG BR . 1.6519 1.7261 1.5173 0.1850 0.1328 -0.0758 101 LMG z O1 ? ? 1 +51083 C C2 . LMG BR . 1.7021 1.7771 1.5542 0.1849 0.1406 -0.0704 101 LMG z C2 ? ? 1 +51084 O O2 . LMG BR . 1.6812 1.7579 1.5312 0.1906 0.1542 -0.0691 101 LMG z O2 ? ? 1 +51085 C C3 . LMG BR . 1.7045 1.7705 1.5399 0.1821 0.1344 -0.0699 101 LMG z C3 ? ? 1 +51086 O O3 . LMG BR . 1.6612 1.7329 1.5070 0.1754 0.1223 -0.0695 101 LMG z O3 ? ? 1 +51087 C C4 . LMG BR . 1.7452 1.7896 1.5520 0.1861 0.1328 -0.0746 101 LMG z C4 ? ? 1 +51088 O O4 . LMG BR . 1.7551 1.7910 1.5453 0.1841 0.1275 -0.0741 101 LMG z O4 ? ? 1 +51089 C C5 . LMG BR . 1.7506 1.7871 1.5556 0.1853 0.1238 -0.0797 101 LMG z C5 ? ? 1 +51090 O O5 . LMG BR . 1.7318 1.7757 1.5484 0.1737 0.1034 -0.0788 101 LMG z O5 ? ? 1 +51091 C C6 . LMG BR . 1.7541 1.7830 1.5504 0.1802 0.1100 -0.0820 101 LMG z C6 ? ? 1 +51092 O O6 . LMG BR . 1.7336 1.7850 1.5641 0.1829 0.1230 -0.0786 101 LMG z O6 ? ? 1 +51093 C C7 . LMG BR . 1.6162 1.6795 1.4757 0.1857 0.1265 -0.0807 101 LMG z C7 ? ? 1 +51094 C C8 . LMG BR . 1.5757 1.6492 1.4541 0.1880 0.1309 -0.0804 101 LMG z C8 ? ? 1 +51095 C C9 . LMG BR . 1.5946 1.6690 1.4708 0.1955 0.1442 -0.0801 101 LMG z C9 ? ? 1 +51096 O O7 . LMG BR . 1.5476 1.6115 1.4228 0.1877 0.1239 -0.0848 101 LMG z O7 ? ? 1 +51097 C C10 . LMG BR . 1.5166 1.5806 1.3966 0.1812 0.1124 -0.0856 101 LMG z C10 ? ? 1 +51098 O O9 . LMG BR . 1.5028 1.5728 1.3872 0.1757 0.1069 -0.0833 101 LMG z O9 ? ? 1 +51099 C C11 . LMG BR . 1.5091 1.5654 1.3896 0.1813 0.1073 -0.0896 101 LMG z C11 ? ? 1 +51100 C C12 . LMG BR . 1.5079 1.5584 1.3841 0.1891 0.1159 -0.0918 101 LMG z C12 ? ? 1 +51101 C C13 . LMG BR . 1.4774 1.5383 1.3741 0.1897 0.1170 -0.0909 101 LMG z C13 ? ? 1 +51102 C C14 . LMG BR . 1.4391 1.5201 1.3569 0.1913 0.1252 -0.0860 101 LMG z C14 ? ? 1 +51103 C C15 . LMG BR . 1.3946 1.4873 1.3341 0.1908 0.1243 -0.0848 101 LMG z C15 ? ? 1 +51104 C C16 . LMG BR . 1.3734 1.4649 1.3145 0.1989 0.1324 -0.0864 101 LMG z C16 ? ? 1 +51105 C C17 . LMG BR . 1.3135 1.4234 1.2796 0.1998 0.1359 -0.0832 101 LMG z C17 ? ? 1 +51106 C C18 . LMG BR . 1.2572 1.3745 1.2390 0.1931 0.1267 -0.0818 101 LMG z C18 ? ? 1 +51107 C C19 . LMG BR . 1.2361 1.3384 1.2092 0.1919 0.1188 -0.0858 101 LMG z C19 ? ? 1 +51108 C C20 . LMG BR . 1.1938 1.3021 1.1801 0.1841 0.1093 -0.0845 101 LMG z C20 ? ? 1 +51109 C C21 . LMG BR . 1.1839 1.2766 1.1607 0.1821 0.1016 -0.0885 101 LMG z C21 ? ? 1 +51110 C C22 . LMG BR . 1.1653 1.2558 1.1413 0.1730 0.0910 -0.0889 101 LMG z C22 ? ? 1 +51111 C C23 . LMG BR . 1.1545 1.2387 1.1336 0.1693 0.0837 -0.0909 101 LMG z C23 ? ? 1 +51112 C C24 . LMG BR . 1.1390 1.2232 1.1199 0.1601 0.0735 -0.0912 101 LMG z C24 ? ? 1 +51113 C C25 . LMG BR . 1.1410 1.2179 1.1239 0.1560 0.0665 -0.0935 101 LMG z C25 ? ? 1 +51114 O O8 . LMG BR . 1.6016 1.6810 1.4908 0.1988 0.1469 -0.0814 101 LMG z O8 ? ? 1 +51115 C C28 . LMG BR . 1.6003 1.6832 1.4914 0.2054 0.1585 -0.0811 101 LMG z C28 ? ? 1 +51116 O O10 . LMG BR . 1.6040 1.6865 1.4872 0.2084 0.1669 -0.0797 101 LMG z O10 ? ? 1 +51117 C C29 . LMG BR . 1.5788 1.6658 1.4825 0.2090 0.1599 -0.0827 101 LMG z C29 ? ? 1 +51118 C C30 . LMG BR . 1.5427 1.6485 1.4734 0.2049 0.1571 -0.0794 101 LMG z C30 ? ? 1 +51119 C C31 . LMG BR . 1.5121 1.6237 1.4558 0.2099 0.1610 -0.0805 101 LMG z C31 ? ? 1 +51120 C C1 . GOL BS . 0.4529 1.1128 1.1619 -0.0402 -0.0173 0.0339 418 GOL A C1 ? ? 1 +51121 O O1 . GOL BS . 0.5328 1.1971 1.2468 -0.0409 -0.0167 0.0330 418 GOL A O1 ? ? 1 +51122 C C2 . GOL BS . 0.4177 1.0776 1.1266 -0.0385 -0.0191 0.0344 418 GOL A C2 ? ? 1 +51123 O O2 . GOL BS . 0.4000 1.0625 1.1116 -0.0380 -0.0211 0.0349 418 GOL A O2 ? ? 1 +51124 C C3 . GOL BS . 0.4128 1.0686 1.1169 -0.0378 -0.0197 0.0349 418 GOL A C3 ? ? 1 +51125 O O3 . GOL BS . 0.3473 1.0024 1.0509 -0.0368 -0.0203 0.0348 418 GOL A O3 ? ? 1 +51126 C C1 . GOL BT . 0.4057 1.0925 1.1310 -0.0332 -0.0958 -0.0076 624 GOL B C1 ? ? 1 +51127 O O1 . GOL BT . 0.4266 1.1149 1.1508 -0.0317 -0.1019 -0.0112 624 GOL B O1 ? ? 1 +51128 C C2 . GOL BT . 0.4052 1.0870 1.1298 -0.0374 -0.0925 -0.0072 624 GOL B C2 ? ? 1 +51129 O O2 . GOL BT . 0.3944 1.0800 1.1253 -0.0409 -0.0952 -0.0107 624 GOL B O2 ? ? 1 +51130 C C3 . GOL BT . 0.4206 1.0918 1.1330 -0.0357 -0.0916 -0.0060 624 GOL B C3 ? ? 1 +51131 O O3 . GOL BT . 0.4428 1.1096 1.1540 -0.0390 -0.0909 -0.0073 624 GOL B O3 ? ? 1 +51132 C C1A . DGD BU . 0.4492 0.9053 1.0333 -0.0216 -0.0282 -0.0094 519 DGD C C1A ? ? 1 +51133 C C2A . DGD BU . 0.4657 0.9305 1.0584 -0.0233 -0.0281 -0.0062 519 DGD C C2A ? ? 1 +51134 C C3A . DGD BU . 0.4925 0.9553 1.0857 -0.0191 -0.0256 -0.0038 519 DGD C C3A ? ? 1 +51135 C C4A . DGD BU . 0.5021 0.9709 1.1025 -0.0213 -0.0257 -0.0008 519 DGD C C4A ? ? 1 +51136 C C5A . DGD BU . 0.5228 0.9935 1.1249 -0.0162 -0.0235 0.0018 519 DGD C C5A ? ? 1 +51137 C C6A . DGD BU . 0.5348 1.0122 1.1437 -0.0184 -0.0238 0.0047 519 DGD C C6A ? ? 1 +51138 C C7A . DGD BU . 0.5509 1.0348 1.1636 -0.0134 -0.0222 0.0071 519 DGD C C7A ? ? 1 +51139 C C8A . DGD BU . 0.5624 1.0493 1.1795 -0.0149 -0.0223 0.0100 519 DGD C C8A ? ? 1 +51140 C C9A . DGD BU . 0.5773 1.0637 1.1943 -0.0093 -0.0209 0.0118 519 DGD C C9A ? ? 1 +51141 C CAA . DGD BU . 0.5875 1.0819 1.2108 -0.0099 -0.0211 0.0148 519 DGD C CAA ? ? 1 +51142 C CBA . DGD BU . 0.5896 1.0825 1.2141 -0.0158 -0.0220 0.0158 519 DGD C CBA ? ? 1 +51143 C CCA . DGD BU . 0.5936 1.0897 1.2212 -0.0152 -0.0218 0.0188 519 DGD C CCA ? ? 1 +51144 C CDA . DGD BU . 0.6065 1.0934 1.2305 -0.0184 -0.0215 0.0199 519 DGD C CDA ? ? 1 +51145 C CEA . DGD BU . 0.6197 1.1041 1.2423 -0.0147 -0.0208 0.0226 519 DGD C CEA ? ? 1 +51146 C CFA . DGD BU . 0.6453 1.1222 1.2651 -0.0189 -0.0202 0.0242 519 DGD C CFA ? ? 1 +51147 C CGA . DGD BU . 0.6520 1.1161 1.2639 -0.0156 -0.0192 0.0253 519 DGD C CGA ? ? 1 +51148 O O1A . DGD BU . 0.4641 0.9114 1.0436 -0.0246 -0.0296 -0.0116 519 DGD C O1A ? ? 1 +51149 C C1B . DGD BU . 0.3985 0.8536 0.9707 -0.0013 -0.0185 -0.0114 519 DGD C C1B ? ? 1 +51150 C C2B . DGD BU . 0.4285 0.8772 0.9980 0.0037 -0.0161 -0.0113 519 DGD C C2B ? ? 1 +51151 C C3B . DGD BU . 0.4406 0.8977 1.0152 0.0089 -0.0130 -0.0097 519 DGD C C3B ? ? 1 +51152 C C4B . DGD BU . 0.4502 0.9169 1.0341 0.0077 -0.0136 -0.0064 519 DGD C C4B ? ? 1 +51153 C C5B . DGD BU . 0.4682 0.9297 1.0525 0.0046 -0.0156 -0.0052 519 DGD C C5B ? ? 1 +51154 C C6B . DGD BU . 0.4846 0.9532 1.0762 0.0063 -0.0151 -0.0021 519 DGD C C6B ? ? 1 +51155 C C7B . DGD BU . 0.5201 0.9850 1.1125 0.0020 -0.0171 -0.0007 519 DGD C C7B ? ? 1 +51156 C C8B . DGD BU . 0.5508 1.0233 1.1504 0.0026 -0.0171 0.0025 519 DGD C C8B ? ? 1 +51157 C C9B . DGD BU . 0.5820 1.0616 1.1855 0.0086 -0.0151 0.0035 519 DGD C C9B ? ? 1 +51158 C CAB . DGD BU . 0.6149 1.0980 1.2232 0.0096 -0.0155 0.0064 519 DGD C CAB ? ? 1 +51159 C CBB . DGD BU . 0.6669 1.1380 1.2696 0.0094 -0.0161 0.0070 519 DGD C CBB ? ? 1 +51160 C CCB . DGD BU . 0.7102 1.1829 1.3157 0.0119 -0.0162 0.0098 519 DGD C CCB ? ? 1 +51161 C CDB . DGD BU . 0.7558 1.2361 1.3655 0.0183 -0.0150 0.0101 519 DGD C CDB ? ? 1 +51162 C CEB . DGD BU . 0.7959 1.2734 1.4052 0.0223 -0.0154 0.0122 519 DGD C CEB ? ? 1 +51163 C CFB . DGD BU . 0.8274 1.2918 1.4285 0.0267 -0.0147 0.0113 519 DGD C CFB ? ? 1 +51164 C CGB . DGD BU . 0.8278 1.2950 1.4307 0.0343 -0.0142 0.0119 519 DGD C CGB ? ? 1 +51165 O O1B . DGD BU . 0.3737 0.8376 0.9494 -0.0009 -0.0178 -0.0107 519 DGD C O1B ? ? 1 +51166 O O1G . DGD BU . 0.4084 0.8661 0.9895 -0.0166 -0.0263 -0.0101 519 DGD C O1G ? ? 1 +51167 C C1G . DGD BU . 0.3944 0.8477 0.9688 -0.0166 -0.0273 -0.0132 519 DGD C C1G ? ? 1 +51168 C C2G . DGD BU . 0.3805 0.8362 0.9529 -0.0110 -0.0243 -0.0131 519 DGD C C2G ? ? 1 +51169 O O2G . DGD BU . 0.3940 0.8440 0.9644 -0.0068 -0.0218 -0.0125 519 DGD C O2G ? ? 1 +51170 C C3G . DGD BU . 0.3722 0.8231 0.9367 -0.0104 -0.0249 -0.0162 519 DGD C C3G ? ? 1 +51171 O O3G . DGD BU . 0.3481 0.8052 0.9151 -0.0142 -0.0276 -0.0164 519 DGD C O3G ? ? 1 +51172 C C1D . DGD BU . 0.3432 0.7959 0.9027 -0.0144 -0.0290 -0.0194 519 DGD C C1D ? ? 1 +51173 C C2D . DGD BU . 0.3363 0.7927 0.8985 -0.0198 -0.0334 -0.0202 519 DGD C C2D ? ? 1 +51174 O O2D . DGD BU . 0.3380 0.7886 0.9005 -0.0239 -0.0358 -0.0213 519 DGD C O2D ? ? 1 +51175 C C3D . DGD BU . 0.3400 0.7941 0.8952 -0.0200 -0.0355 -0.0229 519 DGD C C3D ? ? 1 +51176 O O3D . DGD BU . 0.3356 0.7951 0.8948 -0.0245 -0.0396 -0.0233 519 DGD C O3D ? ? 1 +51177 C C4D . DGD BU . 0.3351 0.7935 0.8884 -0.0155 -0.0323 -0.0218 519 DGD C C4D ? ? 1 +51178 O O4D . DGD BU . 0.3209 0.7907 0.8827 -0.0164 -0.0323 -0.0190 519 DGD C O4D ? ? 1 +51179 C C5D . DGD BU . 0.3372 0.7915 0.8882 -0.0106 -0.0276 -0.0212 519 DGD C C5D ? ? 1 +51180 O O5D . DGD BU . 0.3369 0.7933 0.8794 -0.0065 -0.0251 -0.0223 519 DGD C O5D ? ? 1 +51181 C C6D . DGD BU . 0.3327 0.7914 0.8826 -0.0064 -0.0239 -0.0203 519 DGD C C6D ? ? 1 +51182 O O6D . DGD BU . 0.3336 0.7912 0.8922 -0.0105 -0.0263 -0.0187 519 DGD C O6D ? ? 1 +51183 C C1E . DGD BU . 0.3392 0.7937 0.8758 -0.0022 -0.0212 -0.0229 519 DGD C C1E ? ? 1 +51184 C C2E . DGD BU . 0.3418 0.7952 0.8714 -0.0030 -0.0230 -0.0243 519 DGD C C2E ? ? 1 +51185 O O2E . DGD BU . 0.3288 0.7914 0.8647 -0.0055 -0.0250 -0.0223 519 DGD C O2E ? ? 1 +51186 C C3E . DGD BU . 0.3533 0.7974 0.8750 -0.0053 -0.0274 -0.0277 519 DGD C C3E ? ? 1 +51187 O O3E . DGD BU . 0.3609 0.8028 0.8745 -0.0049 -0.0288 -0.0293 519 DGD C O3E ? ? 1 +51188 C C4E . DGD BU . 0.3659 0.7995 0.8807 -0.0028 -0.0256 -0.0300 519 DGD C C4E ? ? 1 +51189 O O4E . DGD BU . 0.3746 0.8043 0.8812 0.0015 -0.0217 -0.0309 519 DGD C O4E ? ? 1 +51190 C C5E . DGD BU . 0.3613 0.7963 0.8831 -0.0017 -0.0231 -0.0282 519 DGD C C5E ? ? 1 +51191 O O6E . DGD BU . 0.3504 0.7949 0.8799 0.0007 -0.0193 -0.0250 519 DGD C O6E ? ? 1 +51192 C C6E . DGD BU . 0.3725 0.7966 0.8869 0.0014 -0.0211 -0.0304 519 DGD C C6E ? ? 1 +51193 O O5E . DGD BU . 0.3684 0.7941 0.8899 0.0020 -0.0196 -0.0284 519 DGD C O5E ? ? 1 +51194 O O6 . SQD BV . 0.9982 1.5644 1.5449 -0.0175 0.0874 0.0656 410 SQD a O6 ? ? 1 +51195 C C44 . SQD BV . 0.8667 1.4309 1.4116 -0.0161 0.0786 0.0656 410 SQD a C44 ? ? 1 +51196 C C45 . SQD BV . 0.8086 1.3773 1.3561 -0.0131 0.0733 0.0631 410 SQD a C45 ? ? 1 +51197 C C46 . SQD BV . 0.7724 1.3499 1.3323 -0.0139 0.0667 0.0616 410 SQD a C46 ? ? 1 +51198 O O47 . SQD BV . 0.7719 1.3458 1.3236 -0.0124 0.0787 0.0615 410 SQD a O47 ? ? 1 +51199 C C7 . SQD BV . 0.7272 1.2972 1.2705 -0.0088 0.0780 0.0603 410 SQD a C7 ? ? 1 +51200 O O49 . SQD BV . 0.7484 1.3107 1.2807 -0.0064 0.0733 0.0605 410 SQD a O49 ? ? 1 +51201 C C8 . SQD BV . 0.7004 1.2769 1.2499 -0.0081 0.0836 0.0585 410 SQD a C8 ? ? 1 +51202 C C9 . SQD BV . 0.6731 1.2622 1.2391 -0.0088 0.0813 0.0564 410 SQD a C9 ? ? 1 +51203 C C10 . SQD BV . 0.6573 1.2474 1.2238 -0.0063 0.0732 0.0547 410 SQD a C10 ? ? 1 +51204 C C11 . SQD BV . 0.6395 1.2412 1.2212 -0.0067 0.0709 0.0527 410 SQD a C11 ? ? 1 +51205 C C12 . SQD BV . 0.6331 1.2347 1.2143 -0.0044 0.0634 0.0511 410 SQD a C12 ? ? 1 +51206 C C13 . SQD BV . 0.6118 1.2238 1.2069 -0.0045 0.0609 0.0492 410 SQD a C13 ? ? 1 +51207 C C14 . SQD BV . 0.5887 1.1991 1.1813 -0.0019 0.0547 0.0475 410 SQD a C14 ? ? 1 +51208 C C15 . SQD BV . 0.5647 1.1839 1.1691 -0.0013 0.0527 0.0456 410 SQD a C15 ? ? 1 +51209 C C16 . SQD BV . 0.5586 1.1753 1.1601 0.0005 0.0463 0.0442 410 SQD a C16 ? ? 1 +51210 C C17 . SQD BV . 0.5628 1.1868 1.1743 0.0016 0.0445 0.0423 410 SQD a C17 ? ? 1 +51211 C C18 . SQD BV . 0.5612 1.1837 1.1725 0.0019 0.0376 0.0415 410 SQD a C18 ? ? 1 +51212 C C19 . SQD BV . 0.5636 1.1896 1.1816 -0.0010 0.0337 0.0424 410 SQD a C19 ? ? 1 +51213 C C20 . SQD BV . 0.6022 1.2244 1.2167 -0.0011 0.0273 0.0419 410 SQD a C20 ? ? 1 +51214 C C21 . SQD BV . 0.6248 1.2478 1.2421 -0.0040 0.0238 0.0432 410 SQD a C21 ? ? 1 +51215 C C22 . SQD BV . 0.6351 1.2663 1.2643 -0.0060 0.0246 0.0437 410 SQD a C22 ? ? 1 +51216 O O48 . SQD BV . 0.7589 1.3457 1.3331 -0.0173 0.0695 0.0614 410 SQD a O48 ? ? 1 +51217 C C23 . SQD BV . 0.7627 1.3598 1.3495 -0.0173 0.0671 0.0592 410 SQD a C23 ? ? 1 +51218 O O10 . SQD BV . 0.7480 1.3466 1.3345 -0.0146 0.0638 0.0575 410 SQD a O10 ? ? 1 +51219 C C24 . SQD BV . 0.7806 1.3862 1.3812 -0.0211 0.0685 0.0592 410 SQD a C24 ? ? 1 +51220 C C25 . SQD BV . 0.8013 1.4170 1.4136 -0.0218 0.0730 0.0574 410 SQD a C25 ? ? 1 +51221 C C26 . SQD BV . 0.8379 1.4625 1.4643 -0.0256 0.0734 0.0570 410 SQD a C26 ? ? 1 +51222 C C27 . SQD BV . 0.8693 1.5023 1.5060 -0.0276 0.0801 0.0559 410 SQD a C27 ? ? 1 +51223 C C28 . SQD BV . 0.9133 1.5575 1.5620 -0.0260 0.0782 0.0532 410 SQD a C28 ? ? 1 +51224 C C29 . SQD BV . 0.9630 1.6182 1.6262 -0.0288 0.0824 0.0518 410 SQD a C29 ? ? 1 +51225 C C30 . SQD BV . 0.9996 1.6649 1.6725 -0.0262 0.0818 0.0490 410 SQD a C30 ? ? 1 +51226 C C31 . SQD BV . 1.0675 1.7357 1.7439 -0.0239 0.0738 0.0478 410 SQD a C31 ? ? 1 +51227 C C32 . SQD BV . 1.1075 1.7822 1.7890 -0.0201 0.0728 0.0454 410 SQD a C32 ? ? 1 +51228 C C33 . SQD BV . 1.1294 1.8058 1.8134 -0.0180 0.0651 0.0444 410 SQD a C33 ? ? 1 +51229 C C34 . SQD BV . 1.1504 1.8381 1.8489 -0.0188 0.0630 0.0426 410 SQD a C34 ? ? 1 +51230 C C35 . SQD BV . 1.1460 1.8344 1.8460 -0.0169 0.0556 0.0418 410 SQD a C35 ? ? 1 +51231 C C36 . SQD BV . 1.1359 1.8352 1.8491 -0.0164 0.0537 0.0397 410 SQD a C36 ? ? 1 +51232 C C37 . SQD BV . 1.1256 1.8248 1.8390 -0.0138 0.0469 0.0388 410 SQD a C37 ? ? 1 +51233 C C38 . SQD BV . 1.0734 1.7828 1.7987 -0.0126 0.0450 0.0366 410 SQD a C38 ? ? 1 +51234 C C1 . SQD BV . 1.0775 1.6330 1.6109 -0.0176 0.0932 0.0678 410 SQD a C1 ? ? 1 +51235 C C2 . SQD BV . 1.0221 1.5817 1.5597 -0.0191 0.1025 0.0673 410 SQD a C2 ? ? 1 +51236 O O2 . SQD BV . 0.9517 1.5177 1.4936 -0.0164 0.1021 0.0647 410 SQD a O2 ? ? 1 +51237 C C3 . SQD BV . 1.0696 1.6168 1.5914 -0.0189 0.1090 0.0696 410 SQD a C3 ? ? 1 +51238 O O3 . SQD BV . 1.0804 1.6319 1.6081 -0.0217 0.1185 0.0696 410 SQD a O3 ? ? 1 +51239 C C4 . SQD BV . 1.1419 1.6787 1.6540 -0.0201 0.1073 0.0725 410 SQD a C4 ? ? 1 +51240 O O4 . SQD BV . 1.1803 1.7061 1.6761 -0.0159 0.1023 0.0733 410 SQD a O4 ? ? 1 +51241 C C5 . SQD BV . 1.1711 1.7140 1.6946 -0.0225 0.1014 0.0725 410 SQD a C5 ? ? 1 +51242 C C6 . SQD BV . 1.1589 1.7106 1.6971 -0.0275 0.1066 0.0724 410 SQD a C6 ? ? 1 +51243 O O5 . SQD BV . 1.1638 1.7145 1.6952 -0.0203 0.0932 0.0702 410 SQD a O5 ? ? 1 +51244 S S . SQD BV . 1.1278 1.6838 1.6764 -0.0305 0.1008 0.0727 410 SQD a S ? ? 1 +51245 O O7 . SQD BV . 1.1066 1.6564 1.6469 -0.0274 0.0926 0.0734 410 SQD a O7 ? ? 1 +51246 O O8 . SQD BV . 1.1769 1.7258 1.7212 -0.0345 0.1075 0.0753 410 SQD a O8 ? ? 1 +51247 O O9 . SQD BV . 1.0837 1.6542 1.6504 -0.0324 0.1002 0.0702 410 SQD a O9 ? ? 1 +51248 C C1 . BCR BW . 0.2150 0.8872 0.9219 -0.0507 -0.0493 0.0137 618 BCR b C1 ? ? 1 +51249 C C2 . BCR BW . 0.2202 0.8847 0.9203 -0.0508 -0.0466 0.0153 618 BCR b C2 ? ? 1 +51250 C C3 . BCR BW . 0.2149 0.8780 0.9152 -0.0502 -0.0433 0.0178 618 BCR b C3 ? ? 1 +51251 C C4 . BCR BW . 0.2083 0.8743 0.9096 -0.0469 -0.0438 0.0199 618 BCR b C4 ? ? 1 +51252 C C5 . BCR BW . 0.2027 0.8750 0.9091 -0.0462 -0.0465 0.0187 618 BCR b C5 ? ? 1 +51253 C C6 . BCR BW . 0.2055 0.8810 0.9150 -0.0480 -0.0489 0.0159 618 BCR b C6 ? ? 1 +51254 C C7 . BCR BW . 0.1927 0.8751 0.9081 -0.0472 -0.0516 0.0145 618 BCR b C7 ? ? 1 +51255 C C8 . BCR BW . 0.1828 0.8697 0.9032 -0.0461 -0.0511 0.0153 618 BCR b C8 ? ? 1 +51256 C C9 . BCR BW . 0.1794 0.8731 0.9057 -0.0451 -0.0537 0.0137 618 BCR b C9 ? ? 1 +51257 C C10 . BCR BW . 0.1753 0.8733 0.9074 -0.0449 -0.0522 0.0142 618 BCR b C10 ? ? 1 +51258 C C11 . BCR BW . 0.1751 0.8800 0.9136 -0.0437 -0.0542 0.0128 618 BCR b C11 ? ? 1 +51259 C C33 . BCR BW . 0.1974 0.8718 0.9051 -0.0434 -0.0464 0.0209 618 BCR b C33 ? ? 1 +51260 C C31 . BCR BW . 0.2210 0.8937 0.9254 -0.0494 -0.0533 0.0119 618 BCR b C31 ? ? 1 +51261 C C32 . BCR BW . 0.2165 0.8920 0.9296 -0.0548 -0.0483 0.0113 618 BCR b C32 ? ? 1 +51262 C C34 . BCR BW . 0.1776 0.8740 0.9039 -0.0439 -0.0582 0.0115 618 BCR b C34 ? ? 1 +51263 C C12 . BCR BW . 0.1723 0.8812 0.9164 -0.0435 -0.0524 0.0130 618 BCR b C12 ? ? 1 +51264 C C13 . BCR BW . 0.1755 0.8916 0.9264 -0.0420 -0.0542 0.0115 618 BCR b C13 ? ? 1 +51265 C C14 . BCR BW . 0.1758 0.8949 0.9315 -0.0419 -0.0518 0.0120 618 BCR b C14 ? ? 1 +51266 C C15 . BCR BW . 0.1775 0.9031 0.9396 -0.0400 -0.0529 0.0108 618 BCR b C15 ? ? 1 +51267 C C16 . BCR BW . 0.1778 0.9056 0.9437 -0.0395 -0.0504 0.0115 618 BCR b C16 ? ? 1 +51268 C C17 . BCR BW . 0.1818 0.9157 0.9535 -0.0370 -0.0516 0.0105 618 BCR b C17 ? ? 1 +51269 C C18 . BCR BW . 0.1912 0.9269 0.9663 -0.0362 -0.0489 0.0110 618 BCR b C18 ? ? 1 +51270 C C19 . BCR BW . 0.1978 0.9402 0.9790 -0.0332 -0.0507 0.0095 618 BCR b C19 ? ? 1 +51271 C C20 . BCR BW . 0.2021 0.9466 0.9866 -0.0315 -0.0488 0.0098 618 BCR b C20 ? ? 1 +51272 C C21 . BCR BW . 0.2168 0.9674 1.0067 -0.0280 -0.0510 0.0084 618 BCR b C21 ? ? 1 +51273 C C22 . BCR BW . 0.2278 0.9807 1.0210 -0.0257 -0.0494 0.0085 618 BCR b C22 ? ? 1 +51274 C C23 . BCR BW . 0.2482 1.0082 1.0475 -0.0219 -0.0522 0.0064 618 BCR b C23 ? ? 1 +51275 C C24 . BCR BW . 0.2624 1.0267 1.0670 -0.0199 -0.0506 0.0055 618 BCR b C24 ? ? 1 +51276 C C25 . BCR BW . 0.2773 1.0488 1.0881 -0.0155 -0.0536 0.0035 618 BCR b C25 ? ? 1 +51277 C C26 . BCR BW . 0.2824 1.0539 1.0909 -0.0109 -0.0586 0.0035 618 BCR b C26 ? ? 1 +51278 C C27 . BCR BW . 0.2894 1.0696 1.1054 -0.0065 -0.0620 0.0008 618 BCR b C27 ? ? 1 +51279 C C28 . BCR BW . 0.2771 1.0680 1.1051 -0.0085 -0.0596 -0.0027 618 BCR b C28 ? ? 1 +51280 C C29 . BCR BW . 0.2845 1.0724 1.1122 -0.0114 -0.0535 -0.0015 618 BCR b C29 ? ? 1 +51281 C C30 . BCR BW . 0.3051 1.0848 1.1256 -0.0164 -0.0504 0.0009 618 BCR b C30 ? ? 1 +51282 C C35 . BCR BW . 0.1704 0.8910 0.9233 -0.0402 -0.0590 0.0092 618 BCR b C35 ? ? 1 +51283 C C36 . BCR BW . 0.1809 0.9114 0.9529 -0.0382 -0.0444 0.0131 618 BCR b C36 ? ? 1 +51284 C C37 . BCR BW . 0.2208 0.9681 1.0103 -0.0269 -0.0449 0.0107 618 BCR b C37 ? ? 1 +51285 C C38 . BCR BW . 0.2844 1.0476 1.0829 -0.0095 -0.0615 0.0061 618 BCR b C38 ? ? 1 +51286 C C39 . BCR BW . 0.3124 1.0864 1.1294 -0.0173 -0.0454 0.0031 618 BCR b C39 ? ? 1 +51287 C C40 . BCR BW . 0.3088 1.0947 1.1362 -0.0219 -0.0487 -0.0018 618 BCR b C40 ? ? 1 +51288 C C1 . BCR BX . 0.9404 1.0527 1.0202 0.2353 0.1124 -0.0859 515 BCR c C1 ? ? 1 +51289 C C2 . BCR BX . 0.9480 1.0445 1.0213 0.2341 0.1064 -0.0871 515 BCR c C2 ? ? 1 +51290 C C3 . BCR BX . 0.9427 1.0335 1.0134 0.2227 0.0986 -0.0867 515 BCR c C3 ? ? 1 +51291 C C4 . BCR BX . 0.9543 1.0345 1.0093 0.2179 0.0975 -0.0893 515 BCR c C4 ? ? 1 +51292 C C5 . BCR BX . 0.9537 1.0442 1.0095 0.2209 0.1038 -0.0889 515 BCR c C5 ? ? 1 +51293 C C6 . BCR BX . 0.9471 1.0526 1.0147 0.2285 0.1107 -0.0873 515 BCR c C6 ? ? 1 +51294 C C7 . BCR BX . 0.9462 1.0622 1.0154 0.2311 0.1174 -0.0868 515 BCR c C7 ? ? 1 +51295 C C8 . BCR BX . 0.9395 1.0623 1.0093 0.2247 0.1170 -0.0854 515 BCR c C8 ? ? 1 +51296 C C9 . BCR BX . 0.9379 1.0716 1.0103 0.2274 0.1240 -0.0846 515 BCR c C9 ? ? 1 +51297 C C10 . BCR BX . 0.9241 1.0682 1.0017 0.2202 0.1229 -0.0821 515 BCR c C10 ? ? 1 +51298 C C11 . BCR BX . 0.9219 1.0761 1.0015 0.2215 0.1293 -0.0809 515 BCR c C11 ? ? 1 +51299 C C33 . BCR BX . 0.9629 1.0450 1.0051 0.2148 0.1016 -0.0908 515 BCR c C33 ? ? 1 +51300 C C31 . BCR BX . 0.9141 1.0503 1.0174 0.2319 0.1119 -0.0814 515 BCR c C31 ? ? 1 +51301 C C32 . BCR BX . 0.9511 1.0636 1.0280 0.2472 0.1206 -0.0878 515 BCR c C32 ? ? 1 +51302 C C34 . BCR BX . 0.9503 1.0847 1.0199 0.2381 0.1330 -0.0862 515 BCR c C34 ? ? 1 +51303 C C12 . BCR BX . 0.9081 1.0732 0.9941 0.2146 0.1283 -0.0781 515 BCR c C12 ? ? 1 +51304 C C13 . BCR BX . 0.9062 1.0794 0.9920 0.2152 0.1347 -0.0769 515 BCR c C13 ? ? 1 +51305 C C14 . BCR BX . 0.8902 1.0743 0.9837 0.2077 0.1325 -0.0737 515 BCR c C14 ? ? 1 +51306 C C15 . BCR BX . 0.8874 1.0794 0.9812 0.2069 0.1378 -0.0720 515 BCR c C15 ? ? 1 +51307 C C16 . BCR BX . 0.8712 1.0750 0.9742 0.1999 0.1359 -0.0686 515 BCR c C16 ? ? 1 +51308 C C17 . BCR BX . 0.8690 1.0804 0.9723 0.1991 0.1414 -0.0666 515 BCR c C17 ? ? 1 +51309 C C18 . BCR BX . 0.8518 1.0763 0.9660 0.1927 0.1403 -0.0628 515 BCR c C18 ? ? 1 +51310 C C19 . BCR BX . 0.8531 1.0828 0.9649 0.1930 0.1472 -0.0612 515 BCR c C19 ? ? 1 +51311 C C20 . BCR BX . 0.8392 1.0816 0.9608 0.1880 0.1482 -0.0575 515 BCR c C20 ? ? 1 +51312 C C21 . BCR BX . 0.8459 1.0906 0.9622 0.1887 0.1554 -0.0563 515 BCR c C21 ? ? 1 +51313 C C22 . BCR BX . 0.8346 1.0921 0.9607 0.1844 0.1579 -0.0525 515 BCR c C22 ? ? 1 +51314 C C23 . BCR BX . 0.8462 1.1029 0.9636 0.1859 0.1660 -0.0516 515 BCR c C23 ? ? 1 +51315 C C24 . BCR BX . 0.8365 1.1062 0.9641 0.1828 0.1706 -0.0480 515 BCR c C24 ? ? 1 +51316 C C25 . BCR BX . 0.8474 1.1172 0.9674 0.1843 0.1799 -0.0468 515 BCR c C25 ? ? 1 +51317 C C26 . BCR BX . 0.8684 1.1224 0.9655 0.1863 0.1820 -0.0486 515 BCR c C26 ? ? 1 +51318 C C27 . BCR BX . 0.8795 1.1342 0.9697 0.1877 0.1923 -0.0470 515 BCR c C27 ? ? 1 +51319 C C28 . BCR BX . 0.8706 1.1430 0.9798 0.1904 0.2026 -0.0454 515 BCR c C28 ? ? 1 +51320 C C29 . BCR BX . 0.8451 1.1352 0.9785 0.1856 0.1986 -0.0425 515 BCR c C29 ? ? 1 +51321 C C30 . BCR BX . 0.8353 1.1248 0.9758 0.1846 0.1882 -0.0439 515 BCR c C30 ? ? 1 +51322 C C35 . BCR BX . 0.9207 1.0902 0.9976 0.2240 0.1440 -0.0790 515 BCR c C35 ? ? 1 +51323 C C36 . BCR BX . 0.8320 1.0641 0.9597 0.1854 0.1318 -0.0605 515 BCR c C36 ? ? 1 +51324 C C37 . BCR BX . 0.8117 1.0827 0.9567 0.1781 0.1518 -0.0494 515 BCR c C37 ? ? 1 +51325 C C38 . BCR BX . 0.8837 1.1175 0.9596 0.1871 0.1750 -0.0522 515 BCR c C38 ? ? 1 +51326 C C39 . BCR BX . 0.8338 1.1307 0.9860 0.1912 0.1928 -0.0460 515 BCR c C39 ? ? 1 +51327 C C40 . BCR BX . 0.8114 1.1145 0.9701 0.1774 0.1821 -0.0404 515 BCR c C40 ? ? 1 +51328 C C1 . GOL BY . 0.5906 1.0101 1.1016 -0.0353 -0.0046 0.0199 413 GOL d C1 ? ? 1 +51329 O O1 . GOL BY . 0.5527 0.9852 1.0752 -0.0402 -0.0053 0.0193 413 GOL d O1 ? ? 1 +51330 C C2 . GOL BY . 0.5979 1.0215 1.1093 -0.0272 -0.0058 0.0221 413 GOL d C2 ? ? 1 +51331 O O2 . GOL BY . 0.6028 1.0185 1.1063 -0.0216 -0.0062 0.0216 413 GOL d O2 ? ? 1 +51332 C C3 . GOL BY . 0.6063 1.0262 1.1147 -0.0254 -0.0048 0.0245 413 GOL d C3 ? ? 1 +51333 O O3 . GOL BY . 0.5859 1.0127 1.0971 -0.0184 -0.0065 0.0262 413 GOL d O3 ? ? 1 +51334 O O1 A LHG BZ . 0.3491 0.8721 0.9467 0.0041 -0.0265 0.0695 419 LHG A O1 ? ? 1 +51335 O O1 B LHG BZ . 0.3563 0.8801 0.9553 0.0037 -0.0264 0.0692 419 LHG A O1 ? ? 1 +51336 C C1 A LHG BZ . 0.3375 0.8677 0.9414 -0.0012 -0.0241 0.0690 419 LHG A C1 ? ? 1 +51337 C C1 B LHG BZ . 0.3438 0.8741 0.9479 -0.0012 -0.0242 0.0689 419 LHG A C1 ? ? 1 +51338 C C2 A LHG BZ . 0.3450 0.8667 0.9414 -0.0043 -0.0199 0.0713 419 LHG A C2 ? ? 1 +51339 C C2 B LHG BZ . 0.3523 0.8733 0.9483 -0.0040 -0.0200 0.0714 419 LHG A C2 ? ? 1 +51340 O O2 A LHG BZ . 0.3681 0.8785 0.9524 -0.0001 -0.0205 0.0735 419 LHG A O2 ? ? 1 +51341 O O2 B LHG BZ . 0.3801 0.8893 0.9640 0.0003 -0.0206 0.0735 419 LHG A O2 ? ? 1 +51342 C C3 A LHG BZ . 0.3399 0.8569 0.9372 -0.0097 -0.0155 0.0717 419 LHG A C3 ? ? 1 +51343 C C3 B LHG BZ . 0.3435 0.8605 0.9409 -0.0096 -0.0155 0.0717 419 LHG A C3 ? ? 1 +51344 O O3 A LHG BZ . 0.3386 0.8518 0.9319 -0.0132 -0.0115 0.0734 419 LHG A O3 ? ? 1 +51345 O O3 B LHG BZ . 0.3437 0.8543 0.9346 -0.0122 -0.0117 0.0738 419 LHG A O3 ? ? 1 +51346 P P A LHG BZ . 0.3351 0.8408 0.9265 -0.0189 -0.0060 0.0743 419 LHG A P ? ? 1 +51347 P P B LHG BZ . 0.3330 0.8393 0.9246 -0.0189 -0.0061 0.0743 419 LHG A P ? ? 1 +51348 O O4 A LHG BZ . 0.3503 0.8446 0.9348 -0.0173 -0.0058 0.0752 419 LHG A O4 ? ? 1 +51349 O O4 B LHG BZ . 0.3492 0.8428 0.9333 -0.0185 -0.0046 0.0755 419 LHG A O4 ? ? 1 +51350 O O5 A LHG BZ . 0.3421 0.8449 0.9290 -0.0214 -0.0023 0.0761 419 LHG A O5 ? ? 1 +51351 O O5 B LHG BZ . 0.3386 0.8449 0.9278 -0.0214 -0.0029 0.0756 419 LHG A O5 ? ? 1 +51352 O O6 A LHG BZ . 0.3237 0.8406 0.9282 -0.0234 -0.0058 0.0717 419 LHG A O6 ? ? 1 +51353 O O6 B LHG BZ . 0.3238 0.8418 0.9286 -0.0224 -0.0067 0.0715 419 LHG A O6 ? ? 1 +51354 C C4 A LHG BZ . 0.3159 0.8446 0.9286 -0.0254 -0.0060 0.0704 419 LHG A C4 ? ? 1 +51355 C C4 B LHG BZ . 0.3217 0.8507 0.9347 -0.0253 -0.0062 0.0703 419 LHG A C4 ? ? 1 +51356 C C5 A LHG BZ . 0.3078 0.8466 0.9310 -0.0261 -0.0085 0.0678 419 LHG A C5 ? ? 1 +51357 C C5 B LHG BZ . 0.3185 0.8577 0.9422 -0.0262 -0.0085 0.0677 419 LHG A C5 ? ? 1 +51358 C C6 A LHG BZ . 0.3074 0.8439 0.9338 -0.0299 -0.0066 0.0668 419 LHG A C6 ? ? 1 +51359 C C6 B LHG BZ . 0.3197 0.8565 0.9464 -0.0300 -0.0066 0.0667 419 LHG A C6 ? ? 1 +51360 O O7 A LHG BZ . 0.3070 0.8566 0.9379 -0.0282 -0.0085 0.0666 419 LHG A O7 ? ? 1 +51361 O O7 B LHG BZ . 0.3269 0.8765 0.9578 -0.0284 -0.0084 0.0666 419 LHG A O7 ? ? 1 +51362 C C7 A LHG BZ . 0.3197 0.8758 0.9524 -0.0248 -0.0118 0.0660 419 LHG A C7 ? ? 1 +51363 C C7 B LHG BZ . 0.3532 0.9117 0.9892 -0.0258 -0.0120 0.0652 419 LHG A C7 ? ? 1 +51364 O O9 A LHG BZ . 0.3194 0.8737 0.9486 -0.0202 -0.0149 0.0661 419 LHG A O9 ? ? 1 +51365 O O9 B LHG BZ . 0.3443 0.9039 0.9809 -0.0223 -0.0152 0.0644 419 LHG A O9 ? ? 1 +51366 C C8 A LHG BZ . 0.3225 0.8883 0.9622 -0.0274 -0.0113 0.0649 419 LHG A C8 ? ? 1 +51367 C C8 B LHG BZ . 0.3722 0.9384 1.0125 -0.0276 -0.0113 0.0648 419 LHG A C8 ? ? 1 +51368 C C9 A LHG BZ . 0.3241 0.8992 0.9696 -0.0250 -0.0151 0.0632 419 LHG A C9 ? ? 1 +51369 C C9 B LHG BZ . 0.3875 0.9634 1.0340 -0.0255 -0.0149 0.0630 419 LHG A C9 ? ? 1 +51370 C C10 A LHG BZ . 0.3285 0.9101 0.9825 -0.0268 -0.0160 0.0610 419 LHG A C10 ? ? 1 +51371 C C10 B LHG BZ . 0.4085 0.9906 1.0633 -0.0272 -0.0159 0.0609 419 LHG A C10 ? ? 1 +51372 O O8 A LHG BZ . 0.2959 0.8426 0.9320 -0.0305 -0.0090 0.0643 419 LHG A O8 ? ? 1 +51373 O O8 B LHG BZ . 0.3114 0.8584 0.9478 -0.0306 -0.0090 0.0642 419 LHG A O8 ? ? 1 +51374 C C23 A LHG BZ . 0.2977 0.8425 0.9360 -0.0320 -0.0089 0.0631 419 LHG A C23 ? ? 1 +51375 C C23 B LHG BZ . 0.3178 0.8629 0.9563 -0.0319 -0.0090 0.0630 419 LHG A C23 ? ? 1 +51376 O O10 A LHG BZ . 0.3096 0.8448 0.9425 -0.0333 -0.0068 0.0640 419 LHG A O10 ? ? 1 +51377 O O10 B LHG BZ . 0.3314 0.8669 0.9646 -0.0330 -0.0071 0.0639 419 LHG A O10 ? ? 1 +51378 C C24 A LHG BZ . 0.2856 0.8408 0.9329 -0.0321 -0.0115 0.0606 419 LHG A C24 ? ? 1 +51379 C C24 B LHG BZ . 0.3079 0.8634 0.9554 -0.0318 -0.0117 0.0605 419 LHG A C24 ? ? 1 +51380 C C11 A LHG BZ . 0.3326 0.9240 0.9930 -0.0255 -0.0188 0.0593 419 LHG A C11 ? ? 1 +51381 C C11 B LHG BZ . 0.4341 1.0253 1.0947 -0.0253 -0.0191 0.0592 419 LHG A C11 ? ? 1 +51382 C C12 A LHG BZ . 0.3410 0.9385 1.0091 -0.0276 -0.0193 0.0573 419 LHG A C12 ? ? 1 +51383 C C12 B LHG BZ . 0.4666 1.0644 1.1352 -0.0278 -0.0193 0.0572 419 LHG A C12 ? ? 1 +51384 C C13 A LHG BZ . 0.3521 0.9574 1.0251 -0.0256 -0.0223 0.0558 419 LHG A C13 ? ? 1 +51385 C C13 B LHG BZ . 0.5087 1.1142 1.1821 -0.0257 -0.0223 0.0557 419 LHG A C13 ? ? 1 +51386 C C14 A LHG BZ . 0.3650 0.9760 1.0400 -0.0261 -0.0225 0.0556 419 LHG A C14 ? ? 1 +51387 C C14 B LHG BZ . 0.5541 1.1655 1.2296 -0.0260 -0.0226 0.0554 419 LHG A C14 ? ? 1 +51388 C C15 A LHG BZ . 0.3735 0.9912 1.0553 -0.0291 -0.0217 0.0542 419 LHG A C15 ? ? 1 +51389 C C15 B LHG BZ . 0.5944 1.2128 1.2768 -0.0288 -0.0222 0.0539 419 LHG A C15 ? ? 1 +51390 C C16 A LHG BZ . 0.3815 1.0049 1.0655 -0.0292 -0.0222 0.0538 419 LHG A C16 ? ? 1 +51391 C C16 B LHG BZ . 0.6241 1.2481 1.3086 -0.0288 -0.0227 0.0535 419 LHG A C16 ? ? 1 +51392 C C17 A LHG BZ . 0.3891 1.0188 1.0795 -0.0317 -0.0218 0.0524 419 LHG A C17 ? ? 1 +51393 C C17 B LHG BZ . 0.6589 1.2891 1.3497 -0.0313 -0.0223 0.0522 419 LHG A C17 ? ? 1 +51394 C C18 A LHG BZ . 0.3880 1.0227 1.0802 -0.0316 -0.0221 0.0520 419 LHG A C18 ? ? 1 +51395 C C18 B LHG BZ . 0.6703 1.3051 1.3626 -0.0315 -0.0224 0.0519 419 LHG A C18 ? ? 1 +51396 C C19 A LHG BZ . 0.3739 1.0114 1.0662 -0.0292 -0.0248 0.0512 419 LHG A C19 ? ? 1 +51397 C C19 B LHG BZ . 0.6427 1.2801 1.3347 -0.0290 -0.0248 0.0513 419 LHG A C19 ? ? 1 +51398 C C20 A LHG BZ . 0.3689 1.0120 1.0646 -0.0298 -0.0252 0.0502 419 LHG A C20 ? ? 1 +51399 C C20 B LHG BZ . 0.6485 1.2917 1.3441 -0.0298 -0.0252 0.0502 419 LHG A C20 ? ? 1 +51400 C C21 A LHG BZ . 0.3674 1.0107 1.0625 -0.0314 -0.0231 0.0508 419 LHG A C21 ? ? 1 +51401 C C21 B LHG BZ . 0.6527 1.2964 1.3481 -0.0314 -0.0232 0.0507 419 LHG A C21 ? ? 1 +51402 C C22 A LHG BZ . 0.3628 1.0108 1.0602 -0.0315 -0.0237 0.0499 419 LHG A C22 ? ? 1 +51403 C C22 B LHG BZ . 0.6568 1.3054 1.3549 -0.0317 -0.0237 0.0497 419 LHG A C22 ? ? 1 +51404 C C25 A LHG BZ . 0.2794 0.8413 0.9343 -0.0372 -0.0098 0.0592 419 LHG A C25 ? ? 1 +51405 C C25 B LHG BZ . 0.3056 0.8671 0.9605 -0.0370 -0.0100 0.0590 419 LHG A C25 ? ? 1 +51406 C C26 A LHG BZ . 0.2676 0.8403 0.9308 -0.0368 -0.0124 0.0570 419 LHG A C26 ? ? 1 +51407 C C26 B LHG BZ . 0.2950 0.8679 0.9583 -0.0367 -0.0125 0.0569 419 LHG A C26 ? ? 1 +51408 C C27 A LHG BZ . 0.2633 0.8412 0.9335 -0.0416 -0.0111 0.0553 419 LHG A C27 ? ? 1 +51409 C C27 B LHG BZ . 0.2924 0.8708 0.9627 -0.0416 -0.0111 0.0554 419 LHG A C27 ? ? 1 +51410 C C28 A LHG BZ . 0.2538 0.8427 0.9314 -0.0417 -0.0129 0.0538 419 LHG A C28 ? ? 1 +51411 C C28 B LHG BZ . 0.2859 0.8752 0.9635 -0.0416 -0.0129 0.0539 419 LHG A C28 ? ? 1 +51412 C C29 A LHG BZ . 0.2508 0.8449 0.9333 -0.0458 -0.0109 0.0533 419 LHG A C29 ? ? 1 +51413 C C29 B LHG BZ . 0.2840 0.8786 0.9667 -0.0457 -0.0110 0.0533 419 LHG A C29 ? ? 1 +51414 C C30 A LHG BZ . 0.2422 0.8462 0.9307 -0.0453 -0.0126 0.0521 419 LHG A C30 ? ? 1 +51415 C C30 B LHG BZ . 0.2772 0.8818 0.9662 -0.0453 -0.0127 0.0520 419 LHG A C30 ? ? 1 +51416 C C31 A LHG BZ . 0.2418 0.8481 0.9284 -0.0421 -0.0137 0.0532 419 LHG A C31 ? ? 1 +51417 C C31 B LHG BZ . 0.2791 0.8865 0.9665 -0.0423 -0.0137 0.0530 419 LHG A C31 ? ? 1 +51418 C C32 A LHG BZ . 0.2435 0.8498 0.9286 -0.0433 -0.0113 0.0545 419 LHG A C32 ? ? 1 +51419 C C32 B LHG BZ . 0.2831 0.8897 0.9685 -0.0435 -0.0112 0.0544 419 LHG A C32 ? ? 1 +51420 C C33 A LHG BZ . 0.2433 0.8475 0.9230 -0.0399 -0.0120 0.0560 419 LHG A C33 ? ? 1 +51421 C C33 B LHG BZ . 0.2817 0.8863 0.9618 -0.0401 -0.0119 0.0560 419 LHG A C33 ? ? 1 +51422 C C34 A LHG BZ . 0.2449 0.8463 0.9210 -0.0410 -0.0090 0.0576 419 LHG A C34 ? ? 1 +51423 C C34 B LHG BZ . 0.2824 0.8832 0.9582 -0.0412 -0.0089 0.0577 419 LHG A C34 ? ? 1 +51424 C C35 A LHG BZ . 0.2510 0.8441 0.9181 -0.0383 -0.0087 0.0597 419 LHG A C35 ? ? 1 +51425 C C35 B LHG BZ . 0.2851 0.8791 0.9524 -0.0379 -0.0092 0.0596 419 LHG A C35 ? ? 1 +51426 C C36 A LHG BZ . 0.2523 0.8444 0.9156 -0.0382 -0.0068 0.0611 419 LHG A C36 ? ? 1 +51427 C C36 B LHG BZ . 0.2852 0.8779 0.9488 -0.0380 -0.0070 0.0610 419 LHG A C36 ? ? 1 +51428 C C37 A LHG BZ . 0.2636 0.8454 0.9184 -0.0385 -0.0038 0.0633 419 LHG A C37 ? ? 1 +51429 C C37 B LHG BZ . 0.2960 0.8784 0.9506 -0.0378 -0.0045 0.0633 419 LHG A C37 ? ? 1 +51430 C C38 A LHG BZ . 0.2669 0.8463 0.9156 -0.0370 -0.0026 0.0649 419 LHG A C38 ? ? 1 +51431 C C38 B LHG BZ . 0.2979 0.8784 0.9472 -0.0369 -0.0028 0.0648 419 LHG A C38 ? ? 1 +51432 C C1 . HTG CA . 0.4460 1.2402 1.2609 0.0130 0.0203 0.0146 625 HTG B C1 ? ? 1 +51433 S S1 . HTG CA . 0.4624 1.2477 1.2678 0.0100 0.0268 0.0171 625 HTG B S1 ? ? 1 +51434 C C2 . HTG CA . 0.4420 1.2505 1.2713 0.0137 0.0228 0.0116 625 HTG B C2 ? ? 1 +51435 O O2 . HTG CA . 0.4467 1.2594 1.2819 0.0077 0.0277 0.0118 625 HTG B O2 ? ? 1 +51436 C C3 . HTG CA . 0.4272 1.2433 1.2648 0.0156 0.0167 0.0094 625 HTG B C3 ? ? 1 +51437 O O3 . HTG CA . 0.4183 1.2486 1.2701 0.0165 0.0185 0.0062 625 HTG B O3 ? ? 1 +51438 C C4 . HTG CA . 0.4296 1.2398 1.2598 0.0218 0.0115 0.0094 625 HTG B C4 ? ? 1 +51439 O O4 . HTG CA . 0.4112 1.2252 1.2458 0.0225 0.0053 0.0082 625 HTG B O4 ? ? 1 +51440 C C5 . HTG CA . 0.4430 1.2380 1.2576 0.0215 0.0106 0.0125 625 HTG B C5 ? ? 1 +51441 O O5 . HTG CA . 0.4493 1.2388 1.2581 0.0189 0.0163 0.0143 625 HTG B O5 ? ? 1 +51442 C C6 . HTG CA . 0.4476 1.2368 1.2548 0.0282 0.0075 0.0123 625 HTG B C6 ? ? 1 +51443 O O6 . HTG CA . 0.4382 1.2333 1.2512 0.0317 0.0022 0.0104 625 HTG B O6 ? ? 1 +51444 C C1' . HTG CA . 0.4633 1.2330 1.2529 0.0100 0.0227 0.0200 625 HTG B C1' ? ? 1 +51445 C C2' . HTG CA . 0.4731 1.2343 1.2526 0.0097 0.0269 0.0217 625 HTG B C2' ? ? 1 +51446 C C3' . HTG CA . 0.4863 1.2374 1.2564 0.0058 0.0258 0.0244 625 HTG B C3' ? ? 1 +51447 C C4' . HTG CA . 0.4981 1.2398 1.2570 0.0062 0.0289 0.0259 625 HTG B C4' ? ? 1 +51448 C C5' . HTG CA . 0.5375 1.2724 1.2903 0.0015 0.0298 0.0283 625 HTG B C5' ? ? 1 +51449 C C6' . HTG CA . 0.5672 1.2918 1.3076 0.0020 0.0316 0.0298 625 HTG B C6' ? ? 1 +51450 C C7' . HTG CA . 0.5855 1.3072 1.3228 -0.0021 0.0359 0.0315 625 HTG B C7' ? ? 1 +51451 C C1 . LMG CB . 0.5869 0.9728 1.0837 0.0305 -0.0006 -0.0344 520 LMG C C1 ? ? 1 +51452 O O1 . LMG CB . 0.6299 1.0092 1.1265 0.0329 -0.0003 -0.0342 520 LMG C O1 ? ? 1 +51453 C C2 . LMG CB . 0.5650 0.9638 1.0700 0.0341 0.0034 -0.0323 520 LMG C C2 ? ? 1 +51454 O O2 . LMG CB . 0.5414 0.9501 1.0578 0.0325 0.0023 -0.0290 520 LMG C O2 ? ? 1 +51455 C C3 . LMG CB . 0.5564 0.9604 1.0596 0.0327 0.0042 -0.0327 520 LMG C C3 ? ? 1 +51456 O O3 . LMG CB . 0.5493 0.9647 1.0599 0.0358 0.0084 -0.0309 520 LMG C O3 ? ? 1 +51457 C C4 . LMG CB . 0.5732 0.9660 1.0634 0.0342 0.0051 -0.0362 520 LMG C C4 ? ? 1 +51458 O O4 . LMG CB . 0.5708 0.9591 1.0574 0.0405 0.0096 -0.0376 520 LMG C O4 ? ? 1 +51459 C C5 . LMG CB . 0.5844 0.9659 1.0677 0.0303 0.0002 -0.0382 520 LMG C C5 ? ? 1 +51460 O O5 . LMG CB . 0.6199 0.9773 1.0834 0.0292 -0.0031 -0.0441 520 LMG C O5 ? ? 1 +51461 C C6 . LMG CB . 0.6021 0.9715 1.0718 0.0313 0.0003 -0.0420 520 LMG C C6 ? ? 1 +51462 O O6 . LMG CB . 0.5874 0.9638 1.0726 0.0315 -0.0002 -0.0378 520 LMG C O6 ? ? 1 +51463 C C7 . LMG CB . 0.6609 1.0316 1.1549 0.0284 -0.0044 -0.0348 520 LMG C C7 ? ? 1 +51464 C C8 . LMG CB . 0.6969 1.0643 1.1935 0.0315 -0.0033 -0.0333 520 LMG C C8 ? ? 1 +51465 C C9 . LMG CB . 0.6946 1.0734 1.2029 0.0299 -0.0041 -0.0295 520 LMG C C9 ? ? 1 +51466 O O7 . LMG CB . 0.7592 1.1129 1.2489 0.0290 -0.0058 -0.0348 520 LMG C O7 ? ? 1 +51467 C C10 . LMG CB . 0.8290 1.1699 1.3082 0.0322 -0.0046 -0.0378 520 LMG C C10 ? ? 1 +51468 O O9 . LMG CB . 0.8502 1.1905 1.3251 0.0368 -0.0016 -0.0395 520 LMG C O9 ? ? 1 +51469 C C11 . LMG CB . 0.8675 1.1949 1.3411 0.0294 -0.0070 -0.0388 520 LMG C C11 ? ? 1 +51470 C C12 . LMG CB . 0.8969 1.2254 1.3766 0.0304 -0.0067 -0.0357 520 LMG C C12 ? ? 1 +51471 C C13 . LMG CB . 0.9419 1.2569 1.4162 0.0265 -0.0091 -0.0364 520 LMG C C13 ? ? 1 +51472 C C14 . LMG CB . 0.9543 1.2731 1.4362 0.0239 -0.0102 -0.0330 520 LMG C C14 ? ? 1 +51473 C C15 . LMG CB . 0.9609 1.2843 1.4476 0.0304 -0.0076 -0.0301 520 LMG C C15 ? ? 1 +51474 C C16 . LMG CB . 0.9744 1.2973 1.4656 0.0281 -0.0087 -0.0270 520 LMG C C16 ? ? 1 +51475 C C17 . LMG CB . 0.9988 1.3242 1.4932 0.0351 -0.0066 -0.0245 520 LMG C C17 ? ? 1 +51476 C C18 . LMG CB . 1.0102 1.3296 1.5049 0.0336 -0.0076 -0.0219 520 LMG C C18 ? ? 1 +51477 C C19 . LMG CB . 0.9904 1.3233 1.4960 0.0322 -0.0083 -0.0182 520 LMG C C19 ? ? 1 +51478 C C20 . LMG CB . 0.9992 1.3299 1.5056 0.0374 -0.0074 -0.0154 520 LMG C C20 ? ? 1 +51479 C C21 . LMG CB . 0.9944 1.3397 1.5116 0.0372 -0.0079 -0.0120 520 LMG C C21 ? ? 1 +51480 C C22 . LMG CB . 1.0094 1.3520 1.5268 0.0425 -0.0075 -0.0093 520 LMG C C22 ? ? 1 +51481 C C23 . LMG CB . 1.0109 1.3664 1.5381 0.0413 -0.0084 -0.0059 520 LMG C C23 ? ? 1 +51482 C C24 . LMG CB . 1.0262 1.3828 1.5559 0.0326 -0.0102 -0.0045 520 LMG C C24 ? ? 1 +51483 C C25 . LMG CB . 1.0154 1.3824 1.5533 0.0317 -0.0110 -0.0010 520 LMG C C25 ? ? 1 +51484 O O8 . LMG CB . 0.7191 1.0942 1.2290 0.0335 -0.0031 -0.0281 520 LMG C O8 ? ? 1 +51485 C C28 . LMG CB . 0.7516 1.1274 1.2662 0.0298 -0.0056 -0.0259 520 LMG C C28 ? ? 1 +51486 O O10 . LMG CB . 0.7532 1.1317 1.2703 0.0236 -0.0085 -0.0254 520 LMG C O10 ? ? 1 +51487 C C29 . LMG CB . 0.7741 1.1478 1.2909 0.0344 -0.0043 -0.0239 520 LMG C C29 ? ? 1 +51488 C C30 . LMG CB . 0.7814 1.1646 1.3080 0.0319 -0.0057 -0.0203 520 LMG C C30 ? ? 1 +51489 C C31 . LMG CB . 0.8074 1.1872 1.3352 0.0362 -0.0050 -0.0183 520 LMG C C31 ? ? 1 +51490 C C32 . LMG CB . 0.8125 1.2056 1.3511 0.0371 -0.0050 -0.0149 520 LMG C C32 ? ? 1 +51491 C C33 . LMG CB . 0.8397 1.2284 1.3791 0.0369 -0.0063 -0.0124 520 LMG C C33 ? ? 1 +51492 C C34 . LMG CB . 0.8629 1.2596 1.4090 0.0427 -0.0053 -0.0101 520 LMG C C34 ? ? 1 +51493 C C35 . LMG CB . 0.8722 1.2854 1.4293 0.0408 -0.0057 -0.0079 520 LMG C C35 ? ? 1 +51494 C C36 . LMG CB . 0.8765 1.2978 1.4404 0.0464 -0.0050 -0.0057 520 LMG C C36 ? ? 1 +51495 C C37 . LMG CB . 0.8574 1.2953 1.4312 0.0472 -0.0040 -0.0051 520 LMG C C37 ? ? 1 +51496 C C38 . LMG CB . 0.8541 1.3000 1.4344 0.0536 -0.0032 -0.0039 520 LMG C C38 ? ? 1 +51497 C C39 . LMG CB . 0.8832 1.3405 1.4694 0.0573 -0.0005 -0.0053 520 LMG C C39 ? ? 1 +51498 C C40 . LMG CB . 0.8801 1.3513 1.4768 0.0603 -0.0004 -0.0036 520 LMG C C40 ? ? 1 +51499 C C41 . LMG CB . 0.8649 1.3483 1.4684 0.0625 0.0025 -0.0051 520 LMG C C41 ? ? 1 +51500 C C42 . LMG CB . 0.8442 1.3428 1.4591 0.0625 0.0022 -0.0034 520 LMG C C42 ? ? 1 +51501 C C43 . LMG CB . 0.8052 1.3101 1.4237 0.0553 0.0008 -0.0018 520 LMG C C43 ? ? 1 +51502 MG MG . MG CC . 0.4022 0.8102 0.9458 -0.0443 -0.0493 -0.0369 102 MG J MG ? ? 1 +51503 O O1 A OEX CD . 0.3600 0.8342 0.8745 0.0627 -0.0015 0.0124 411 OEX a O1 ? ? 1 +51504 O O1 B OEX CD . 0.3487 0.8239 0.8639 0.0625 -0.0014 0.0124 411 OEX a O1 ? ? 1 +51505 CA CA1 A OEX CD . 0.3563 0.8460 0.8800 0.0596 0.0009 0.0119 411 OEX a CA1 ? ? 1 +51506 CA CA1 B OEX CD . 0.3447 0.8345 0.8682 0.0602 0.0012 0.0117 411 OEX a CA1 ? ? 1 +51507 MN MN1 A OEX CD . 0.3550 0.8199 0.8652 0.0560 -0.0041 0.0134 411 OEX a MN1 ? ? 1 +51508 MN MN1 B OEX CD . 0.3430 0.8095 0.8544 0.0558 -0.0041 0.0134 411 OEX a MN1 ? ? 1 +51509 O O2 A OEX CD . 0.3518 0.8471 0.8829 0.0727 -0.0006 0.0135 411 OEX a O2 ? ? 1 +51510 O O2 B OEX CD . 0.3405 0.8367 0.8720 0.0716 -0.0003 0.0134 411 OEX a O2 ? ? 1 +51511 MN MN2 A OEX CD . 0.3659 0.8384 0.8790 0.0727 -0.0010 0.0122 411 OEX a MN2 ? ? 1 +51512 MN MN2 B OEX CD . 0.3536 0.8273 0.8679 0.0722 -0.0012 0.0124 411 OEX a MN2 ? ? 1 +51513 O O3 A OEX CD . 0.3556 0.8333 0.8752 0.0640 -0.0034 0.0141 411 OEX a O3 ? ? 1 +51514 O O3 B OEX CD . 0.3443 0.8239 0.8653 0.0635 -0.0034 0.0142 411 OEX a O3 ? ? 1 +51515 MN MN3 A OEX CD . 0.3436 0.8413 0.8793 0.0644 -0.0037 0.0156 411 OEX a MN3 ? ? 1 +51516 MN MN3 B OEX CD . 0.3336 0.8334 0.8708 0.0640 -0.0034 0.0156 411 OEX a MN3 ? ? 1 +51517 O O4 A OEX CD . 0.3374 0.8565 0.8903 0.0638 -0.0035 0.0169 411 OEX a O4 ? ? 1 +51518 O O4 B OEX CD . 0.3305 0.8516 0.8846 0.0633 -0.0030 0.0167 411 OEX a O4 ? ? 1 +51519 MN MN4 A OEX CD . 0.3476 0.8690 0.9013 0.0556 -0.0026 0.0167 411 OEX a MN4 ? ? 1 +51520 MN MN4 B OEX CD . 0.3494 0.8709 0.9031 0.0544 -0.0026 0.0168 411 OEX a MN4 ? ? 1 +51521 O O5 A OEX CD . 0.3472 0.8508 0.8856 0.0595 -0.0017 0.0148 411 OEX a O5 ? ? 1 +51522 O O5 B OEX CD . 0.3409 0.8453 0.8797 0.0590 -0.0015 0.0147 411 OEX a O5 ? ? 1 +51523 C C1 . BCR CE . 0.2033 1.0917 1.1459 -0.0695 -0.0396 -0.0463 619 BCR b C1 ? ? 1 +51524 C C2 . BCR CE . 0.2052 1.1023 1.1596 -0.0741 -0.0327 -0.0491 619 BCR b C2 ? ? 1 +51525 C C3 . BCR CE . 0.2064 1.1193 1.1768 -0.0760 -0.0351 -0.0550 619 BCR b C3 ? ? 1 +51526 C C4 . BCR CE . 0.2060 1.1284 1.1821 -0.0679 -0.0422 -0.0566 619 BCR b C4 ? ? 1 +51527 C C5 . BCR CE . 0.2039 1.1174 1.1677 -0.0622 -0.0491 -0.0535 619 BCR b C5 ? ? 1 +51528 C C6 . BCR CE . 0.2002 1.0981 1.1487 -0.0631 -0.0477 -0.0487 619 BCR b C6 ? ? 1 +51529 C C7 . BCR CE . 0.1950 1.0834 1.1309 -0.0583 -0.0535 -0.0454 619 BCR b C7 ? ? 1 +51530 C C8 . BCR CE . 0.1907 1.0814 1.1252 -0.0509 -0.0603 -0.0452 619 BCR b C8 ? ? 1 +51531 C C9 . BCR CE . 0.1860 1.0667 1.1078 -0.0468 -0.0652 -0.0420 619 BCR b C9 ? ? 1 +51532 C C10 . BCR CE . 0.1820 1.0632 1.1012 -0.0387 -0.0699 -0.0408 619 BCR b C10 ? ? 1 +51533 C C11 . BCR CE . 0.1792 1.0510 1.0862 -0.0336 -0.0742 -0.0373 619 BCR b C11 ? ? 1 +51534 C C33 . BCR CE . 0.1979 1.1217 1.1684 -0.0559 -0.0573 -0.0564 619 BCR b C33 ? ? 1 +51535 C C31 . BCR CE . 0.1991 1.0747 1.1283 -0.0657 -0.0371 -0.0406 619 BCR b C31 ? ? 1 +51536 C C32 . BCR CE . 0.2089 1.0905 1.1459 -0.0754 -0.0402 -0.0464 619 BCR b C32 ? ? 1 +51537 C C34 . BCR CE . 0.1860 1.0556 1.0968 -0.0503 -0.0658 -0.0400 619 BCR b C34 ? ? 1 +51538 C C12 . BCR CE . 0.1771 1.0491 1.0817 -0.0258 -0.0782 -0.0362 619 BCR b C12 ? ? 1 +51539 C C13 . BCR CE . 0.1804 1.0422 1.0722 -0.0205 -0.0819 -0.0325 619 BCR b C13 ? ? 1 +51540 C C14 . BCR CE . 0.1793 1.0419 1.0697 -0.0128 -0.0853 -0.0315 619 BCR b C14 ? ? 1 +51541 C C15 . BCR CE . 0.1827 1.0354 1.0610 -0.0072 -0.0886 -0.0279 619 BCR b C15 ? ? 1 +51542 C C16 . BCR CE . 0.1792 1.0307 1.0546 0.0002 -0.0912 -0.0265 619 BCR b C16 ? ? 1 +51543 C C17 . BCR CE . 0.1709 1.0116 1.0335 0.0053 -0.0939 -0.0228 619 BCR b C17 ? ? 1 +51544 C C18 . BCR CE . 0.1685 1.0070 1.0277 0.0127 -0.0963 -0.0214 619 BCR b C18 ? ? 1 +51545 C C19 . BCR CE . 0.1702 0.9968 1.0156 0.0169 -0.0989 -0.0175 619 BCR b C19 ? ? 1 +51546 C C20 . BCR CE . 0.1706 0.9927 1.0102 0.0242 -0.1014 -0.0157 619 BCR b C20 ? ? 1 +51547 C C21 . BCR CE . 0.1713 0.9810 0.9970 0.0276 -0.1033 -0.0118 619 BCR b C21 ? ? 1 +51548 C C22 . BCR CE . 0.1761 0.9794 0.9945 0.0346 -0.1054 -0.0096 619 BCR b C22 ? ? 1 +51549 C C23 . BCR CE . 0.1794 0.9685 0.9832 0.0355 -0.1049 -0.0051 619 BCR b C23 ? ? 1 +51550 C C24 . BCR CE . 0.1861 0.9667 0.9801 0.0417 -0.1075 -0.0026 619 BCR b C24 ? ? 1 +51551 C C25 . BCR CE . 0.1904 0.9563 0.9698 0.0423 -0.1061 0.0021 619 BCR b C25 ? ? 1 +51552 C C26 . BCR CE . 0.1872 0.9458 0.9620 0.0373 -0.1004 0.0051 619 BCR b C26 ? ? 1 +51553 C C27 . BCR CE . 0.1884 0.9327 0.9488 0.0377 -0.0993 0.0095 619 BCR b C27 ? ? 1 +51554 C C28 . BCR CE . 0.1976 0.9370 0.9491 0.0422 -0.1050 0.0100 619 BCR b C28 ? ? 1 +51555 C C29 . BCR CE . 0.2056 0.9496 0.9598 0.0493 -0.1101 0.0080 619 BCR b C29 ? ? 1 +51556 C C30 . BCR CE . 0.2018 0.9615 0.9715 0.0489 -0.1119 0.0031 619 BCR b C30 ? ? 1 +51557 C C35 . BCR CE . 0.1782 1.0278 1.0574 -0.0231 -0.0820 -0.0294 619 BCR b C35 ? ? 1 +51558 C C36 . BCR CE . 0.1653 1.0139 1.0354 0.0162 -0.0958 -0.0239 619 BCR b C36 ? ? 1 +51559 C C37 . BCR CE . 0.1726 0.9842 0.9991 0.0404 -0.1076 -0.0120 619 BCR b C37 ? ? 1 +51560 C C38 . BCR CE . 0.1788 0.9419 0.9616 0.0310 -0.0946 0.0044 619 BCR b C38 ? ? 1 +51561 C C39 . BCR CE . 0.2073 0.9704 0.9800 0.0563 -0.1149 0.0019 619 BCR b C39 ? ? 1 +51562 C C40 . BCR CE . 0.2048 0.9705 0.9766 0.0486 -0.1173 0.0001 619 BCR b C40 ? ? 1 +51563 C C1 . BCR CF . 0.5359 1.0843 1.0049 0.0617 0.1473 0.0232 516 BCR c C1 ? ? 1 +51564 C C2 . BCR CF . 0.5363 1.0850 1.0053 0.0566 0.1502 0.0264 516 BCR c C2 ? ? 1 +51565 C C3 . BCR CF . 0.5308 1.0938 1.0174 0.0540 0.1564 0.0270 516 BCR c C3 ? ? 1 +51566 C C4 . BCR CF . 0.5142 1.0898 1.0193 0.0534 0.1507 0.0259 516 BCR c C4 ? ? 1 +51567 C C5 . BCR CF . 0.5129 1.0880 1.0181 0.0583 0.1461 0.0231 516 BCR c C5 ? ? 1 +51568 C C6 . BCR CF . 0.5189 1.0816 1.0078 0.0621 0.1452 0.0218 516 BCR c C6 ? ? 1 +51569 C C7 . BCR CF . 0.5118 1.0729 0.9997 0.0670 0.1416 0.0190 516 BCR c C7 ? ? 1 +51570 C C8 . BCR CF . 0.4972 1.0683 0.9977 0.0703 0.1430 0.0168 516 BCR c C8 ? ? 1 +51571 C C9 . BCR CF . 0.4886 1.0569 0.9872 0.0750 0.1390 0.0143 516 BCR c C9 ? ? 1 +51572 C C10 . BCR CF . 0.4802 1.0578 0.9897 0.0794 0.1425 0.0120 516 BCR c C10 ? ? 1 +51573 C C11 . BCR CF . 0.4754 1.0517 0.9850 0.0845 0.1393 0.0094 516 BCR c C11 ? ? 1 +51574 C C33 . BCR CF . 0.5039 1.0926 1.0280 0.0584 0.1427 0.0219 516 BCR c C33 ? ? 1 +51575 C C31 . BCR CF . 0.5384 1.0744 0.9937 0.0624 0.1382 0.0227 516 BCR c C31 ? ? 1 +51576 C C32 . BCR CF . 0.5560 1.1005 1.0167 0.0662 0.1560 0.0215 516 BCR c C32 ? ? 1 +51577 C C34 . BCR CF . 0.4868 1.0423 0.9721 0.0755 0.1309 0.0138 516 BCR c C34 ? ? 1 +51578 C C12 . BCR CF . 0.4697 1.0548 0.9892 0.0894 0.1433 0.0071 516 BCR c C12 ? ? 1 +51579 C C13 . BCR CF . 0.4657 1.0493 0.9853 0.0949 0.1403 0.0046 516 BCR c C13 ? ? 1 +51580 C C14 . BCR CF . 0.4616 1.0541 0.9903 0.1002 0.1456 0.0023 516 BCR c C14 ? ? 1 +51581 C C15 . BCR CF . 0.4602 1.0520 0.9895 0.1064 0.1437 -0.0003 516 BCR c C15 ? ? 1 +51582 C C16 . BCR CF . 0.4591 1.0594 0.9970 0.1122 0.1486 -0.0027 516 BCR c C16 ? ? 1 +51583 C C17 . BCR CF . 0.4588 1.0572 0.9965 0.1186 0.1460 -0.0052 516 BCR c C17 ? ? 1 +51584 C C18 . BCR CF . 0.4596 1.0664 1.0059 0.1252 0.1503 -0.0078 516 BCR c C18 ? ? 1 +51585 C C19 . BCR CF . 0.4607 1.0624 1.0038 0.1313 0.1462 -0.0099 516 BCR c C19 ? ? 1 +51586 C C20 . BCR CF . 0.4611 1.0688 1.0109 0.1387 0.1487 -0.0127 516 BCR c C20 ? ? 1 +51587 C C21 . BCR CF . 0.4626 1.0633 1.0076 0.1443 0.1437 -0.0144 516 BCR c C21 ? ? 1 +51588 C C22 . BCR CF . 0.4617 1.0690 1.0148 0.1519 0.1444 -0.0170 516 BCR c C22 ? ? 1 +51589 C C23 . BCR CF . 0.4632 1.0605 1.0090 0.1565 0.1383 -0.0183 516 BCR c C23 ? ? 1 +51590 C C24 . BCR CF . 0.4587 1.0624 1.0138 0.1626 0.1357 -0.0200 516 BCR c C24 ? ? 1 +51591 C C25 . BCR CF . 0.4626 1.0555 1.0097 0.1679 0.1301 -0.0213 516 BCR c C25 ? ? 1 +51592 C C26 . BCR CF . 0.4758 1.0513 1.0045 0.1709 0.1300 -0.0225 516 BCR c C26 ? ? 1 +51593 C C27 . BCR CF . 0.4823 1.0457 1.0025 0.1756 0.1238 -0.0237 516 BCR c C27 ? ? 1 +51594 C C28 . BCR CF . 0.4704 1.0391 1.0005 0.1739 0.1162 -0.0223 516 BCR c C28 ? ? 1 +51595 C C29 . BCR CF . 0.4590 1.0483 1.0099 0.1751 0.1182 -0.0224 516 BCR c C29 ? ? 1 +51596 C C30 . BCR CF . 0.4509 1.0523 1.0108 0.1691 0.1236 -0.0211 516 BCR c C30 ? ? 1 +51597 C C35 . BCR CF . 0.4671 1.0394 0.9769 0.0952 0.1314 0.0042 516 BCR c C35 ? ? 1 +51598 C C36 . BCR CF . 0.4578 1.0788 1.0165 0.1257 0.1595 -0.0083 516 BCR c C36 ? ? 1 +51599 C C37 . BCR CF . 0.4591 1.0836 1.0280 0.1547 0.1520 -0.0184 516 BCR c C37 ? ? 1 +51600 C C38 . BCR CF . 0.4869 1.0526 1.0013 0.1700 0.1359 -0.0229 516 BCR c C38 ? ? 1 +51601 C C39 . BCR CF . 0.4375 1.0402 1.0007 0.1602 0.1180 -0.0180 516 BCR c C39 ? ? 1 +51602 C C40 . BCR CF . 0.4448 1.0664 1.0245 0.1730 0.1278 -0.0225 516 BCR c C40 ? ? 1 +51603 O O1 A LHG CG . 0.4291 1.0131 0.9694 0.0043 -0.0827 0.0186 414 LHG d O1 ? ? 1 +51604 O O1 B LHG CG . 0.4547 1.0363 0.9908 0.0059 -0.0830 0.0194 414 LHG d O1 ? ? 1 +51605 C C1 A LHG CG . 0.4281 1.0172 0.9724 0.0049 -0.0896 0.0160 414 LHG d C1 ? ? 1 +51606 C C1 B LHG CG . 0.4562 1.0443 0.9988 0.0053 -0.0896 0.0161 414 LHG d C1 ? ? 1 +51607 C C2 A LHG CG . 0.4403 1.0232 0.9720 0.0088 -0.0944 0.0148 414 LHG d C2 ? ? 1 +51608 C C2 B LHG CG . 0.4706 1.0539 1.0024 0.0088 -0.0955 0.0142 414 LHG d C2 ? ? 1 +51609 O O2 A LHG CG . 0.4594 1.0348 0.9811 0.0089 -0.0925 0.0141 414 LHG d O2 ? ? 1 +51610 O O2 B LHG CG . 0.5035 1.0816 1.0279 0.0081 -0.0955 0.0120 414 LHG d O2 ? ? 1 +51611 C C3 A LHG CG . 0.4345 1.0230 0.9703 0.0091 -0.1023 0.0108 414 LHG d C3 ? ? 1 +51612 C C3 B LHG CG . 0.4588 1.0493 0.9971 0.0092 -0.1028 0.0110 414 LHG d C3 ? ? 1 +51613 O O3 A LHG CG . 0.4123 1.0100 0.9623 0.0047 -0.1030 0.0083 414 LHG d O3 ? ? 1 +51614 O O3 B LHG CG . 0.4312 1.0303 0.9830 0.0047 -0.1035 0.0082 414 LHG d O3 ? ? 1 +51615 P P A LHG CG . 0.4013 1.0056 0.9572 0.0035 -0.1106 0.0032 414 LHG d P ? ? 1 +51616 P P B LHG CG . 0.4115 1.0172 0.9689 0.0036 -0.1111 0.0031 414 LHG d P ? ? 1 +51617 O O4 A LHG CG . 0.4142 1.0118 0.9581 0.0052 -0.1144 0.0007 414 LHG d O4 ? ? 1 +51618 O O4 B LHG CG . 0.4229 1.0218 0.9682 0.0055 -0.1150 0.0007 414 LHG d O4 ? ? 1 +51619 O O5 A LHG CG . 0.3934 1.0051 0.9569 0.0053 -0.1145 0.0030 414 LHG d O5 ? ? 1 +51620 O O5 B LHG CG . 0.4032 1.0167 0.9690 0.0051 -0.1150 0.0028 414 LHG d O5 ? ? 1 +51621 O O6 A LHG CG . 0.3919 1.0017 0.9591 -0.0022 -0.1079 0.0013 414 LHG d O6 ? ? 1 +51622 O O6 B LHG CG . 0.4103 1.0210 0.9785 -0.0022 -0.1084 0.0012 414 LHG d O6 ? ? 1 +51623 C C4 A LHG CG . 0.3797 0.9965 0.9593 -0.0047 -0.1044 0.0030 414 LHG d C4 ? ? 1 +51624 C C4 B LHG CG . 0.4064 1.0238 0.9869 -0.0049 -0.1046 0.0028 414 LHG d C4 ? ? 1 +51625 C C5 A LHG CG . 0.3746 0.9907 0.9582 -0.0089 -0.0990 0.0033 414 LHG d C5 ? ? 1 +51626 C C5 B LHG CG . 0.4081 1.0242 0.9916 -0.0089 -0.0991 0.0033 414 LHG d C5 ? ? 1 +51627 C C6 A LHG CG . 0.3780 0.9946 0.9631 -0.0124 -0.1012 -0.0009 414 LHG d C6 ? ? 1 +51628 C C6 B LHG CG . 0.4171 1.0330 1.0012 -0.0122 -0.1013 -0.0008 414 LHG d C6 ? ? 1 +51629 O O7 A LHG CG . 0.3667 0.9900 0.9623 -0.0110 -0.0963 0.0047 414 LHG d O7 ? ? 1 +51630 O O7 B LHG CG . 0.4056 1.0288 1.0013 -0.0113 -0.0963 0.0045 414 LHG d O7 ? ? 1 +51631 C C7 A LHG CG . 0.3739 0.9950 0.9693 -0.0106 -0.0906 0.0086 414 LHG d C7 ? ? 1 +51632 C C7 B LHG CG . 0.4269 1.0483 1.0226 -0.0106 -0.0908 0.0085 414 LHG d C7 ? ? 1 +51633 O O9 A LHG CG . 0.3731 0.9871 0.9597 -0.0090 -0.0872 0.0109 414 LHG d O9 ? ? 1 +51634 O O9 B LHG CG . 0.4191 1.0334 1.0057 -0.0086 -0.0876 0.0110 414 LHG d O9 ? ? 1 +51635 C C8 A LHG CG . 0.3695 0.9982 0.9768 -0.0122 -0.0891 0.0098 414 LHG d C8 ? ? 1 +51636 C C8 B LHG CG . 0.4314 1.0606 1.0394 -0.0125 -0.0893 0.0094 414 LHG d C8 ? ? 1 +51637 C C9 A LHG CG . 0.3672 0.9942 0.9760 -0.0131 -0.0827 0.0133 414 LHG d C9 ? ? 1 +51638 C C9 B LHG CG . 0.4344 1.0619 1.0438 -0.0134 -0.0828 0.0130 414 LHG d C9 ? ? 1 +51639 C C10 A LHG CG . 0.3714 0.9970 0.9818 -0.0165 -0.0793 0.0124 414 LHG d C10 ? ? 1 +51640 C C10 B LHG CG . 0.4468 1.0726 1.0575 -0.0168 -0.0794 0.0122 414 LHG d C10 ? ? 1 +51641 O O8 A LHG CG . 0.3725 0.9879 0.9610 -0.0159 -0.0958 -0.0001 414 LHG d O8 ? ? 1 +51642 O O8 B LHG CG . 0.4168 1.0314 1.0041 -0.0156 -0.0958 0.0000 414 LHG d O8 ? ? 1 +51643 C C23 A LHG CG . 0.3853 0.9955 0.9683 -0.0175 -0.0959 -0.0023 414 LHG d C23 ? ? 1 +51644 C C23 B LHG CG . 0.4400 1.0511 1.0243 -0.0180 -0.0963 -0.0028 414 LHG d C23 ? ? 1 +51645 O O10 A LHG CG . 0.4008 1.0080 0.9771 -0.0164 -0.1002 -0.0050 414 LHG d O10 ? ? 1 +51646 O O10 B LHG CG . 0.4622 1.0721 1.0425 -0.0178 -0.1012 -0.0062 414 LHG d O10 ? ? 1 +51647 C C24 A LHG CG . 0.3828 0.9909 0.9683 -0.0204 -0.0900 -0.0012 414 LHG d C24 ? ? 1 +51648 C C24 B LHG CG . 0.4438 1.0522 1.0297 -0.0206 -0.0903 -0.0014 414 LHG d C24 ? ? 1 +51649 C C11 A LHG CG . 0.3766 1.0016 0.9897 -0.0174 -0.0734 0.0156 414 LHG d C11 ? ? 1 +51650 C C11 B LHG CG . 0.4664 1.0917 1.0801 -0.0177 -0.0735 0.0154 414 LHG d C11 ? ? 1 +51651 C C12 A LHG CG . 0.3829 1.0085 1.0007 -0.0210 -0.0707 0.0146 414 LHG d C12 ? ? 1 +51652 C C12 B LHG CG . 0.4874 1.1131 1.1054 -0.0212 -0.0708 0.0143 414 LHG d C12 ? ? 1 +51653 C C13 A LHG CG . 0.3851 1.0112 1.0065 -0.0217 -0.0654 0.0175 414 LHG d C13 ? ? 1 +51654 C C13 B LHG CG . 0.5027 1.1288 1.1243 -0.0219 -0.0655 0.0173 414 LHG d C13 ? ? 1 +51655 C C14 A LHG CG . 0.3891 1.0219 1.0203 -0.0227 -0.0651 0.0184 414 LHG d C14 ? ? 1 +51656 C C14 B LHG CG . 0.5248 1.1576 1.1561 -0.0229 -0.0652 0.0182 414 LHG d C14 ? ? 1 +51657 C C15 A LHG CG . 0.3945 1.0275 1.0288 -0.0233 -0.0602 0.0212 414 LHG d C15 ? ? 1 +51658 C C15 B LHG CG . 0.5483 1.1814 1.1830 -0.0236 -0.0602 0.0209 414 LHG d C15 ? ? 1 +51659 C C16 A LHG CG . 0.3920 1.0312 1.0364 -0.0255 -0.0596 0.0212 414 LHG d C16 ? ? 1 +51660 C C16 B LHG CG . 0.5537 1.1931 1.1985 -0.0258 -0.0597 0.0209 414 LHG d C16 ? ? 1 +51661 C C17 A LHG CG . 0.3896 1.0286 1.0367 -0.0263 -0.0550 0.0235 414 LHG d C17 ? ? 1 +51662 C C17 B LHG CG . 0.5537 1.1930 1.2013 -0.0265 -0.0552 0.0232 414 LHG d C17 ? ? 1 +51663 C C18 A LHG CG . 0.3904 1.0345 1.0464 -0.0288 -0.0542 0.0231 414 LHG d C18 ? ? 1 +51664 C C18 B LHG CG . 0.5645 1.2090 1.2211 -0.0289 -0.0545 0.0229 414 LHG d C18 ? ? 1 +51665 C C19 A LHG CG . 0.3927 1.0395 1.0527 -0.0279 -0.0523 0.0257 414 LHG d C19 ? ? 1 +51666 C C19 B LHG CG . 0.5755 1.2223 1.2357 -0.0280 -0.0523 0.0256 414 LHG d C19 ? ? 1 +51667 C C20 A LHG CG . 0.3950 1.0454 1.0625 -0.0303 -0.0506 0.0257 414 LHG d C20 ? ? 1 +51668 C C20 B LHG CG . 0.5884 1.2390 1.2562 -0.0304 -0.0506 0.0256 414 LHG d C20 ? ? 1 +51669 C C21 A LHG CG . 0.3926 1.0477 1.0658 -0.0299 -0.0509 0.0266 414 LHG d C21 ? ? 1 +51670 C C21 B LHG CG . 0.5822 1.2373 1.2554 -0.0298 -0.0508 0.0267 414 LHG d C21 ? ? 1 +51671 C C22 A LHG CG . 0.3905 1.0472 1.0686 -0.0313 -0.0479 0.0278 414 LHG d C22 ? ? 1 +51672 C C22 B LHG CG . 0.5790 1.2360 1.2575 -0.0314 -0.0479 0.0277 414 LHG d C22 ? ? 1 +51673 C C25 A LHG CG . 0.3760 0.9916 0.9744 -0.0236 -0.0879 -0.0006 414 LHG d C25 ? ? 1 +51674 C C25 B LHG CG . 0.4452 1.0604 1.0433 -0.0235 -0.0875 -0.0003 414 LHG d C25 ? ? 1 +51675 C C26 A LHG CG . 0.3749 0.9883 0.9758 -0.0272 -0.0837 -0.0008 414 LHG d C26 ? ? 1 +51676 C C26 B LHG CG . 0.4481 1.0613 1.0488 -0.0270 -0.0832 -0.0005 414 LHG d C26 ? ? 1 +51677 C C27 A LHG CG . 0.3708 0.9908 0.9829 -0.0317 -0.0845 -0.0032 414 LHG d C27 ? ? 1 +51678 C C27 B LHG CG . 0.4493 1.0690 1.0612 -0.0316 -0.0841 -0.0029 414 LHG d C27 ? ? 1 +51679 C C28 A LHG CG . 0.3602 0.9812 0.9784 -0.0340 -0.0792 -0.0010 414 LHG d C28 ? ? 1 +51680 C C28 B LHG CG . 0.4389 1.0598 1.0571 -0.0339 -0.0788 -0.0008 414 LHG d C28 ? ? 1 +51681 C C29 A LHG CG . 0.3511 0.9799 0.9812 -0.0378 -0.0798 -0.0026 414 LHG d C29 ? ? 1 +51682 C C29 B LHG CG . 0.4305 1.0593 1.0606 -0.0376 -0.0795 -0.0023 414 LHG d C29 ? ? 1 +51683 C C30 A LHG CG . 0.3405 0.9717 0.9769 -0.0387 -0.0750 0.0004 414 LHG d C30 ? ? 1 +51684 C C30 B LHG CG . 0.4206 1.0517 1.0571 -0.0388 -0.0747 0.0005 414 LHG d C30 ? ? 1 +51685 C C31 A LHG CG . 0.3350 0.9679 0.9713 -0.0351 -0.0735 0.0041 414 LHG d C31 ? ? 1 +51686 C C31 B LHG CG . 0.4143 1.0476 1.0516 -0.0354 -0.0731 0.0042 414 LHG d C31 ? ? 1 +51687 C C32 A LHG CG . 0.3271 0.9684 0.9726 -0.0352 -0.0752 0.0042 414 LHG d C32 ? ? 1 +51688 C C32 B LHG CG . 0.4088 1.0504 1.0543 -0.0352 -0.0756 0.0039 414 LHG d C32 ? ? 1 +51689 C C33 A LHG CG . 0.3224 0.9644 0.9658 -0.0311 -0.0752 0.0072 414 LHG d C33 ? ? 1 +51690 C C33 B LHG CG . 0.4008 1.0430 1.0445 -0.0312 -0.0751 0.0072 414 LHG d C33 ? ? 1 +51691 C C34 A LHG CG . 0.3145 0.9638 0.9643 -0.0301 -0.0789 0.0063 414 LHG d C34 ? ? 1 +51692 C C34 B LHG CG . 0.3870 1.0363 1.0368 -0.0300 -0.0786 0.0066 414 LHG d C34 ? ? 1 +51693 C C35 A LHG CG . 0.3172 0.9653 0.9607 -0.0265 -0.0835 0.0056 414 LHG d C35 ? ? 1 +51694 C C35 B LHG CG . 0.3843 1.0324 1.0279 -0.0265 -0.0834 0.0057 414 LHG d C35 ? ? 1 +51695 C C36 A LHG CG . 0.3115 0.9633 0.9573 -0.0233 -0.0849 0.0073 414 LHG d C36 ? ? 1 +51696 C C36 B LHG CG . 0.3753 1.0270 1.0208 -0.0232 -0.0850 0.0074 414 LHG d C36 ? ? 1 +51697 C C37 A LHG CG . 0.3161 0.9702 0.9601 -0.0208 -0.0911 0.0050 414 LHG d C37 ? ? 1 +51698 C C37 B LHG CG . 0.3778 1.0320 1.0219 -0.0208 -0.0912 0.0049 414 LHG d C37 ? ? 1 +51699 C C38 A LHG CG . 0.3132 0.9690 0.9571 -0.0167 -0.0924 0.0072 414 LHG d C38 ? ? 1 +51700 C C38 B LHG CG . 0.3722 1.0282 1.0162 -0.0168 -0.0927 0.0070 414 LHG d C38 ? ? 1 +51701 C C1B . LMT CH . 0.9620 1.8783 1.9079 0.1738 -0.1018 -0.0517 420 LMT A C1B ? ? 1 +51702 C C2B . LMT CH . 0.9397 1.8595 1.8858 0.1709 -0.1084 -0.0517 420 LMT A C2B ? ? 1 +51703 C C3B . LMT CH . 0.9287 1.8304 1.8559 0.1762 -0.1145 -0.0473 420 LMT A C3B ? ? 1 +51704 C C4B . LMT CH . 0.9223 1.8074 1.8357 0.1831 -0.1128 -0.0442 420 LMT A C4B ? ? 1 +51705 C C5B . LMT CH . 0.9217 1.8166 1.8456 0.1912 -0.1115 -0.0481 420 LMT A C5B ? ? 1 +51706 C C6B . LMT CH . 0.8812 1.7601 1.7930 0.1941 -0.1064 -0.0450 420 LMT A C6B ? ? 1 +51707 O O1B . LMT CH . 0.9788 1.9122 1.9423 0.1690 -0.0960 -0.0559 420 LMT A O1B ? ? 1 +51708 O O2B . LMT CH . 0.9157 1.8560 1.8792 0.1747 -0.1134 -0.0573 420 LMT A O2B ? ? 1 +51709 O O3B . LMT CH . 0.9372 1.8285 1.8544 0.1672 -0.1131 -0.0434 420 LMT A O3B ? ? 1 +51710 O O4' . LMT CH . 0.9349 1.8068 1.8335 0.1899 -0.1200 -0.0413 420 LMT A O4' ? ? 1 +51711 O O5B . LMT CH . 0.9823 1.8967 1.9257 0.1860 -0.1065 -0.0527 420 LMT A O5B ? ? 1 +51712 O O6B . LMT CH . 0.8681 1.7320 1.7649 0.2035 -0.1118 -0.0424 420 LMT A O6B ? ? 1 +51713 C C1' . LMT CH . 1.1749 2.1210 2.1578 0.1680 -0.0738 -0.0612 420 LMT A C1' ? ? 1 +51714 C C2' . LMT CH . 1.1561 2.0899 2.1263 0.1787 -0.0808 -0.0590 420 LMT A C2' ? ? 1 +51715 C C3' . LMT CH . 1.1065 2.0310 2.0656 0.1772 -0.0876 -0.0557 420 LMT A C3' ? ? 1 +51716 C C4' . LMT CH . 1.0640 2.0063 2.0374 0.1750 -0.0928 -0.0594 420 LMT A C4' ? ? 1 +51717 C C5' . LMT CH . 1.0722 2.0328 2.0642 0.1673 -0.0866 -0.0635 420 LMT A C5' ? ? 1 +51718 C C6' . LMT CH . 1.0601 2.0416 2.0715 0.1738 -0.0877 -0.0698 420 LMT A C6' ? ? 1 +51719 O O1' . LMT CH . 1.2855 2.2505 2.2867 0.1712 -0.0712 -0.0667 420 LMT A O1' ? ? 1 +51720 O O2' . LMT CH . 1.1544 2.0707 2.1102 0.1811 -0.0765 -0.0556 420 LMT A O2' ? ? 1 +51721 O O3' . LMT CH . 1.0919 2.0037 2.0382 0.1873 -0.0933 -0.0535 420 LMT A O3' ? ? 1 +51722 O O5' . LMT CH . 1.0958 2.0482 2.0830 0.1612 -0.0771 -0.0614 420 LMT A O5' ? ? 1 +51723 O O6' . LMT CH . 0.9778 1.9727 1.9989 0.1767 -0.0961 -0.0731 420 LMT A O6' ? ? 1 +51724 C C1 . LMT CH . 1.2734 2.2349 2.2737 0.1730 -0.0637 -0.0669 420 LMT A C1 ? ? 1 +51725 C C2 . LMT CH . 1.2155 2.1807 2.2210 0.1619 -0.0547 -0.0672 420 LMT A C2 ? ? 1 +51726 C C3 . LMT CH . 1.1537 2.1002 2.1437 0.1588 -0.0480 -0.0629 420 LMT A C3 ? ? 1 +51727 C C4 . LMT CH . 1.1088 2.0601 2.1050 0.1603 -0.0400 -0.0654 420 LMT A C4 ? ? 1 +51728 C C5 . LMT CH . 1.0782 2.0123 2.0600 0.1556 -0.0330 -0.0616 420 LMT A C5 ? ? 1 +51729 C C6 . LMT CH . 1.0203 1.9601 2.0085 0.1454 -0.0244 -0.0625 420 LMT A C6 ? ? 1 +51730 C C7 . LMT CH . 0.9638 1.8876 1.9374 0.1364 -0.0216 -0.0576 420 LMT A C7 ? ? 1 +51731 C C8 . LMT CH . 0.9317 1.8639 1.9132 0.1255 -0.0175 -0.0582 420 LMT A C8 ? ? 1 +51732 C C9 . LMT CH . 0.9313 1.8478 1.8982 0.1173 -0.0163 -0.0533 420 LMT A C9 ? ? 1 +51733 C C10 . LMT CH . 0.9356 1.8563 1.9070 0.1068 -0.0093 -0.0536 420 LMT A C10 ? ? 1 +51734 C C11 . LMT CH . 0.9647 1.8687 1.9205 0.0997 -0.0081 -0.0486 420 LMT A C11 ? ? 1 +51735 C C12 . LMT CH . 0.9542 1.8606 1.9127 0.0895 -0.0013 -0.0486 420 LMT A C12 ? ? 1 +51736 C C1 . LMG CI . 1.4416 1.8002 1.8729 0.1610 0.1202 -0.0796 521 LMG C C1 ? ? 1 +51737 O O1 . LMG CI . 1.3912 1.7685 1.8384 0.1635 0.1261 -0.0792 521 LMG C O1 ? ? 1 +51738 C C2 . LMG CI . 1.4239 1.7795 1.8484 0.1521 0.1172 -0.0779 521 LMG C C2 ? ? 1 +51739 O O2 . LMG CI . 1.3755 1.7467 1.8145 0.1468 0.1151 -0.0744 521 LMG C O2 ? ? 1 +51740 C C3 . LMG CI . 1.4370 1.7747 1.8478 0.1491 0.1097 -0.0783 521 LMG C C3 ? ? 1 +51741 O O3 . LMG CI . 1.4033 1.7385 1.8082 0.1411 0.1062 -0.0767 521 LMG C O3 ? ? 1 +51742 C C4 . LMG CI . 1.4749 1.7954 1.8695 0.1546 0.1121 -0.0822 521 LMG C C4 ? ? 1 +51743 O O4 . LMG CI . 1.5169 1.8311 1.8989 0.1529 0.1162 -0.0839 521 LMG C O4 ? ? 1 +51744 C C5 . LMG CI . 1.4828 1.8071 1.8831 0.1641 0.1178 -0.0843 521 LMG C C5 ? ? 1 +51745 O O5 . LMG CI . 1.4672 1.7576 1.8360 0.1685 0.1174 -0.0899 521 LMG C O5 ? ? 1 +51746 C C6 . LMG CI . 1.4844 1.7947 1.8690 0.1695 0.1229 -0.0884 521 LMG C C6 ? ? 1 +51747 O O6 . LMG CI . 1.4941 1.8382 1.9106 0.1662 0.1239 -0.0833 521 LMG C O6 ? ? 1 +51748 C C7 . LMG CI . 1.3271 1.7110 1.7846 0.1715 0.1278 -0.0803 521 LMG C C7 ? ? 1 +51749 C C8 . LMG CI . 1.2821 1.6790 1.7563 0.1705 0.1225 -0.0773 521 LMG C C8 ? ? 1 +51750 C C9 . LMG CI . 1.2756 1.6688 1.7522 0.1780 0.1200 -0.0783 521 LMG C C9 ? ? 1 +51751 O O7 . LMG CI . 1.2392 1.6574 1.7314 0.1706 0.1268 -0.0763 521 LMG C O7 ? ? 1 +51752 C C10 . LMG CI . 1.1696 1.5982 1.6702 0.1632 0.1243 -0.0732 521 LMG C C10 ? ? 1 +51753 O O9 . LMG CI . 1.1673 1.5889 1.6605 0.1562 0.1198 -0.0713 521 LMG C O9 ? ? 1 +51754 C C11 . LMG CI . 1.0949 1.5451 1.6158 0.1645 0.1273 -0.0723 521 LMG C C11 ? ? 1 +51755 C C12 . LMG CI . 1.0005 1.4605 1.5323 0.1583 0.1212 -0.0686 521 LMG C C12 ? ? 1 +51756 C C13 . LMG CI . 0.9347 1.3859 1.4636 0.1580 0.1124 -0.0669 521 LMG C C13 ? ? 1 +51757 C C14 . LMG CI . 0.8780 1.3412 1.4204 0.1538 0.1070 -0.0635 521 LMG C C14 ? ? 1 +51758 C C15 . LMG CI . 0.8353 1.3093 1.3917 0.1599 0.1055 -0.0635 521 LMG C C15 ? ? 1 +51759 C C16 . LMG CI . 0.8003 1.2735 1.3603 0.1572 0.0972 -0.0604 521 LMG C C16 ? ? 1 +51760 C C17 . LMG CI . 0.7699 1.2549 1.3442 0.1629 0.0953 -0.0600 521 LMG C C17 ? ? 1 +51761 C C18 . LMG CI . 0.7448 1.2285 1.3217 0.1597 0.0873 -0.0568 521 LMG C C18 ? ? 1 +51762 C C19 . LMG CI . 0.7300 1.2235 1.3193 0.1659 0.0848 -0.0564 521 LMG C C19 ? ? 1 +51763 C C20 . LMG CI . 0.7272 1.2067 1.3087 0.1701 0.0792 -0.0558 521 LMG C C20 ? ? 1 +51764 C C21 . LMG CI . 0.7048 1.1859 1.2908 0.1664 0.0721 -0.0523 521 LMG C C21 ? ? 1 +51765 C C22 . LMG CI . 0.6939 1.1772 1.2857 0.1741 0.0688 -0.0521 521 LMG C C22 ? ? 1 +51766 C C23 . LMG CI . 0.6875 1.1618 1.2750 0.1715 0.0615 -0.0490 521 LMG C C23 ? ? 1 +51767 C C24 . LMG CI . 0.6889 1.1670 1.2832 0.1791 0.0582 -0.0484 521 LMG C C24 ? ? 1 +51768 C C25 . LMG CI . 0.6745 1.1444 1.2649 0.1763 0.0513 -0.0451 521 LMG C C25 ? ? 1 +51769 O O8 . LMG CI . 1.2663 1.6716 1.7580 0.1771 0.1151 -0.0755 521 LMG C O8 ? ? 1 +51770 C C28 . LMG CI . 1.2403 1.6464 1.7373 0.1845 0.1138 -0.0762 521 LMG C C28 ? ? 1 +51771 O O10 . LMG CI . 1.2735 1.6710 1.7637 0.1917 0.1165 -0.0791 521 LMG C O10 ? ? 1 +51772 C C29 . LMG CI . 1.2053 1.6237 1.7172 0.1831 0.1084 -0.0731 521 LMG C C29 ? ? 1 +51773 C C30 . LMG CI . 1.1931 1.6034 1.7036 0.1886 0.1033 -0.0729 521 LMG C C30 ? ? 1 +51774 C C31 . LMG CI . 1.1636 1.5901 1.6917 0.1915 0.1008 -0.0711 521 LMG C C31 ? ? 1 +51775 C C32 . LMG CI . 1.1381 1.5562 1.6643 0.1979 0.0960 -0.0709 521 LMG C C32 ? ? 1 +51776 C C33 . LMG CI . 1.1027 1.5361 1.6452 0.2003 0.0928 -0.0689 521 LMG C C33 ? ? 1 +51777 C C34 . LMG CI . 1.0926 1.5168 1.6323 0.2067 0.0878 -0.0684 521 LMG C C34 ? ? 1 +51778 C C35 . LMG CI . 1.0733 1.5135 1.6294 0.2107 0.0852 -0.0670 521 LMG C C35 ? ? 1 +51779 C C36 . LMG CI . 1.0478 1.4996 1.6137 0.2024 0.0813 -0.0634 521 LMG C C36 ? ? 1 +51780 C C37 . LMG CI . 1.0397 1.5119 1.6243 0.2059 0.0806 -0.0628 521 LMG C C37 ? ? 1 +51781 C C38 . LMG CI . 1.0500 1.5194 1.6364 0.2092 0.0737 -0.0606 521 LMG C C38 ? ? 1 +51782 C C39 . LMG CI . 1.0392 1.5286 1.6434 0.2094 0.0715 -0.0591 521 LMG C C39 ? ? 1 +51783 C C40 . LMG CI . 1.0487 1.5350 1.6540 0.2138 0.0650 -0.0571 521 LMG C C40 ? ? 1 +51784 C C41 . LMG CI . 1.0762 1.5585 1.6803 0.2258 0.0653 -0.0595 521 LMG C C41 ? ? 1 +51785 C C42 . LMG CI . 1.0551 1.5580 1.6762 0.2330 0.0684 -0.0620 521 LMG C C42 ? ? 1 +51786 C C43 . LMG CI . 1.0478 1.5463 1.6666 0.2450 0.0704 -0.0652 521 LMG C C43 ? ? 1 +51787 C C2 A PL9 CJ . 1.2438 1.7222 1.6392 0.0064 -0.1073 -0.0276 412 PL9 a C2 ? ? 1 +51788 C C2 B PL9 CJ . 0.8538 1.3333 1.2507 0.0061 -0.1081 -0.0278 412 PL9 a C2 ? ? 1 +51789 C C3 A PL9 CJ . 1.2258 1.7108 1.6314 0.0062 -0.1019 -0.0231 412 PL9 a C3 ? ? 1 +51790 C C3 B PL9 CJ . 0.8355 1.3205 1.2412 0.0062 -0.1019 -0.0230 412 PL9 a C3 ? ? 1 +51791 C C4 A PL9 CJ . 1.2334 1.7209 1.6380 0.0095 -0.1014 -0.0193 412 PL9 a C4 ? ? 1 +51792 C C4 B PL9 CJ . 0.8212 1.3084 1.2255 0.0096 -0.1012 -0.0192 412 PL9 a C4 ? ? 1 +51793 C C5 A PL9 CJ . 1.2548 1.7377 1.6472 0.0135 -0.1068 -0.0201 412 PL9 a C5 ? ? 1 +51794 C C5 B PL9 CJ . 0.8471 1.3298 1.2392 0.0136 -0.1066 -0.0200 412 PL9 a C5 ? ? 1 +51795 C C6 A PL9 CJ . 1.2682 1.7449 1.6505 0.0139 -0.1126 -0.0247 412 PL9 a C6 ? ? 1 +51796 C C6 B PL9 CJ . 0.8661 1.3438 1.2495 0.0137 -0.1131 -0.0248 412 PL9 a C6 ? ? 1 +51797 C C1 A PL9 CJ . 1.2656 1.7398 1.6492 0.0102 -0.1130 -0.0287 412 PL9 a C1 ? ? 1 +51798 C C1 B PL9 CJ . 0.8680 1.3442 1.2541 0.0096 -0.1141 -0.0290 412 PL9 a C1 ? ? 1 +51799 C C7 A PL9 CJ . 1.1956 1.6846 1.6129 0.0025 -0.0967 -0.0221 412 PL9 a C7 ? ? 1 +51800 C C7 B PL9 CJ . 0.8303 1.3189 1.2471 0.0027 -0.0963 -0.0220 412 PL9 a C7 ? ? 1 +51801 C C8 A PL9 CJ . 1.2001 1.6812 1.6114 0.0012 -0.0945 -0.0247 412 PL9 a C8 ? ? 1 +51802 C C8 B PL9 CJ . 0.8666 1.3476 1.2778 0.0013 -0.0944 -0.0247 412 PL9 a C8 ? ? 1 +51803 C C9 A PL9 CJ . 1.1848 1.6671 1.6038 -0.0021 -0.0912 -0.0251 412 PL9 a C9 ? ? 1 +51804 C C9 B PL9 CJ . 0.8944 1.3756 1.3116 -0.0011 -0.0895 -0.0241 412 PL9 a C9 ? ? 1 +51805 C C10 A PL9 CJ . 1.1634 1.6560 1.5992 -0.0056 -0.0896 -0.0234 412 PL9 a C10 ? ? 1 +51806 C C10 B PL9 CJ . 0.8357 1.3257 1.2674 -0.0029 -0.0853 -0.0207 412 PL9 a C10 ? ? 1 +51807 C C11 A PL9 CJ . 1.1933 1.6659 1.6036 -0.0022 -0.0885 -0.0273 412 PL9 a C11 ? ? 1 +51808 C C11 B PL9 CJ . 0.9495 1.4213 1.3587 -0.0016 -0.0876 -0.0268 412 PL9 a C11 ? ? 1 +51809 C C12 A PL9 CJ . 1.1989 1.6673 1.6048 -0.0048 -0.0950 -0.0329 412 PL9 a C12 ? ? 1 +51810 C C12 B PL9 CJ . 0.9974 1.4661 1.4034 -0.0044 -0.0945 -0.0324 412 PL9 a C12 ? ? 1 +51811 C C13 A PL9 CJ . 1.1826 1.6539 1.5989 -0.0101 -0.0952 -0.0352 412 PL9 a C13 ? ? 1 +51812 C C13 B PL9 CJ . 1.0264 1.4971 1.4420 -0.0096 -0.0942 -0.0346 412 PL9 a C13 ? ? 1 +51813 C C14 A PL9 CJ . 1.1665 1.6304 1.5784 -0.0123 -0.0950 -0.0385 412 PL9 a C14 ? ? 1 +51814 C C14 B PL9 CJ . 1.0610 1.5249 1.4723 -0.0122 -0.0956 -0.0386 412 PL9 a C14 ? ? 1 +51815 C C15 A PL9 CJ . 1.1776 1.6290 1.5727 -0.0095 -0.0952 -0.0409 412 PL9 a C15 ? ? 1 +51816 C C15 B PL9 CJ . 1.0658 1.5188 1.4612 -0.0101 -0.0985 -0.0422 412 PL9 a C15 ? ? 1 +51817 C C16 A PL9 CJ . 1.1377 1.6048 1.5609 -0.0177 -0.0943 -0.0399 412 PL9 a C16 ? ? 1 +51818 C C16 B PL9 CJ . 1.0722 1.5384 1.4940 -0.0172 -0.0940 -0.0398 412 PL9 a C16 ? ? 1 +51819 C C17 A PL9 CJ . 1.1249 1.5836 1.5421 -0.0208 -0.0968 -0.0450 412 PL9 a C17 ? ? 1 +51820 C C17 B PL9 CJ . 1.0839 1.5424 1.5009 -0.0207 -0.0966 -0.0449 412 PL9 a C17 ? ? 1 +51821 C C18 A PL9 CJ . 1.0914 1.5559 1.5172 -0.0263 -0.1034 -0.0491 412 PL9 a C18 ? ? 1 +51822 C C18 B PL9 CJ . 1.0715 1.5362 1.4970 -0.0260 -0.1034 -0.0490 412 PL9 a C18 ? ? 1 +51823 C C19 A PL9 CJ . 1.0794 1.5397 1.4998 -0.0287 -0.1093 -0.0544 412 PL9 a C19 ? ? 1 +51824 C C19 B PL9 CJ . 1.0865 1.5469 1.5069 -0.0285 -0.1092 -0.0543 412 PL9 a C19 ? ? 1 +51825 C C20 A PL9 CJ . 1.0896 1.5375 1.4930 -0.0258 -0.1104 -0.0571 412 PL9 a C20 ? ? 1 +51826 C C20 B PL9 CJ . 1.0975 1.5451 1.5011 -0.0261 -0.1102 -0.0571 412 PL9 a C20 ? ? 1 +51827 C C21 A PL9 CJ . 1.0575 1.5258 1.4893 -0.0346 -0.1153 -0.0583 412 PL9 a C21 ? ? 1 +51828 C C21 B PL9 CJ . 1.0838 1.5524 1.5158 -0.0344 -0.1151 -0.0582 412 PL9 a C21 ? ? 1 +51829 C C22 A PL9 CJ . 1.0315 1.4992 1.4714 -0.0403 -0.1126 -0.0597 412 PL9 a C22 ? ? 1 +51830 C C22 B PL9 CJ . 1.0691 1.5364 1.5083 -0.0401 -0.1126 -0.0597 412 PL9 a C22 ? ? 1 +51831 C C23 A PL9 CJ . 1.0104 1.4861 1.4617 -0.0465 -0.1181 -0.0638 412 PL9 a C23 ? ? 1 +51832 C C23 B PL9 CJ . 1.0618 1.5365 1.5119 -0.0464 -0.1182 -0.0640 412 PL9 a C23 ? ? 1 +51833 C C24 A PL9 CJ . 0.9858 1.4617 1.4447 -0.0527 -0.1175 -0.0662 412 PL9 a C24 ? ? 1 +51834 C C24 B PL9 CJ . 1.0530 1.5274 1.5102 -0.0525 -0.1174 -0.0665 412 PL9 a C24 ? ? 1 +51835 C C25 A PL9 CJ . 0.9837 1.4506 1.4398 -0.0542 -0.1110 -0.0651 412 PL9 a C25 ? ? 1 +51836 C C25 B PL9 CJ . 1.0282 1.4934 1.4822 -0.0537 -0.1109 -0.0652 412 PL9 a C25 ? ? 1 +51837 C C26 A PL9 CJ . 0.9582 1.4433 1.4290 -0.0587 -0.1232 -0.0705 412 PL9 a C26 ? ? 1 +51838 C C26 B PL9 CJ . 1.0425 1.5260 1.5117 -0.0587 -0.1230 -0.0707 412 PL9 a C26 ? ? 1 +51839 C C27 A PL9 CJ . 0.9496 1.4279 1.4193 -0.0649 -0.1242 -0.0755 412 PL9 a C27 ? ? 1 +51840 C C27 B PL9 CJ . 1.0492 1.5261 1.5179 -0.0651 -0.1240 -0.0757 412 PL9 a C27 ? ? 1 +51841 C C28 A PL9 CJ . 0.9226 1.4075 1.3990 -0.0699 -0.1318 -0.0813 412 PL9 a C28 ? ? 1 +51842 C C28 B PL9 CJ . 1.0319 1.5156 1.5075 -0.0701 -0.1315 -0.0815 412 PL9 a C28 ? ? 1 +51843 C C29 A PL9 CJ . 0.8979 1.3791 1.3753 -0.0762 -0.1341 -0.0866 412 PL9 a C29 ? ? 1 +51844 C C29 B PL9 CJ . 1.0133 1.4964 1.4944 -0.0773 -0.1331 -0.0861 412 PL9 a C29 ? ? 1 +51845 C C30 A PL9 CJ . 0.9073 1.3757 1.3783 -0.0792 -0.1292 -0.0873 412 PL9 a C30 ? ? 1 +51846 C C30 B PL9 CJ . 1.0104 1.4854 1.4918 -0.0816 -0.1270 -0.0857 412 PL9 a C30 ? ? 1 +51847 C C31 A PL9 CJ . 0.8801 1.3697 1.3653 -0.0808 -0.1420 -0.0925 412 PL9 a C31 ? ? 1 +51848 C C31 B PL9 CJ . 1.0077 1.4979 1.4948 -0.0816 -0.1412 -0.0923 412 PL9 a C31 ? ? 1 +51849 C C32 A PL9 CJ . 0.8747 1.3561 1.3569 -0.0872 -0.1435 -0.0982 412 PL9 a C32 ? ? 1 +51850 C C32 B PL9 CJ . 1.0118 1.4919 1.4917 -0.0864 -0.1438 -0.0982 412 PL9 a C32 ? ? 1 +51851 C C33 A PL9 CJ . 0.8625 1.3505 1.3500 -0.0915 -0.1519 -0.1048 412 PL9 a C33 ? ? 1 +51852 C C33 B PL9 CJ . 1.0043 1.4914 1.4898 -0.0905 -0.1523 -0.1047 412 PL9 a C33 ? ? 1 +51853 C C34 A PL9 CJ . 0.8595 1.3399 1.3385 -0.0937 -0.1568 -0.1106 412 PL9 a C34 ? ? 1 +51854 C C34 B PL9 CJ . 1.0121 1.4922 1.4910 -0.0940 -0.1569 -0.1108 412 PL9 a C34 ? ? 1 +51855 C C35 A PL9 CJ . 0.8683 1.3312 1.3292 -0.0914 -0.1545 -0.1110 412 PL9 a C35 ? ? 1 +51856 C C35 B PL9 CJ . 1.0163 1.4787 1.4788 -0.0934 -0.1541 -0.1118 412 PL9 a C35 ? ? 1 +51857 C C36 A PL9 CJ . 0.8542 1.3434 1.3415 -0.0988 -0.1652 -0.1174 412 PL9 a C36 ? ? 1 +51858 C C36 B PL9 CJ . 1.0169 1.5066 1.5049 -0.0990 -0.1653 -0.1174 412 PL9 a C36 ? ? 1 +51859 C C37 A PL9 CJ . 0.8518 1.3462 1.3345 -0.0928 -0.1727 -0.1184 412 PL9 a C37 ? ? 1 +51860 C C37 B PL9 CJ . 1.0241 1.5200 1.5086 -0.0930 -0.1725 -0.1181 412 PL9 a C37 ? ? 1 +51861 C C38 A PL9 CJ . 0.8485 1.3526 1.3398 -0.0971 -0.1817 -0.1252 412 PL9 a C38 ? ? 1 +51862 C C38 B PL9 CJ . 1.0291 1.5353 1.5226 -0.0971 -0.1815 -0.1248 412 PL9 a C38 ? ? 1 +51863 C C39 A PL9 CJ . 0.8435 1.3582 1.3384 -0.0936 -0.1888 -0.1265 412 PL9 a C39 ? ? 1 +51864 C C39 B PL9 CJ . 1.0441 1.5589 1.5386 -0.0931 -0.1890 -0.1264 412 PL9 a C39 ? ? 1 +51865 C C40 A PL9 CJ . 0.8352 1.3531 1.3257 -0.0847 -0.1884 -0.1208 412 PL9 a C40 ? ? 1 +51866 C C40 B PL9 CJ . 1.0396 1.5548 1.5260 -0.0837 -0.1891 -0.1210 412 PL9 a C40 ? ? 1 +51867 C C41 A PL9 CJ . 0.8435 1.3676 1.3471 -0.0982 -0.1980 -0.1340 412 PL9 a C41 ? ? 1 +51868 C C41 B PL9 CJ . 1.0525 1.5769 1.5560 -0.0978 -0.1982 -0.1338 412 PL9 a C41 ? ? 1 +51869 C C42 A PL9 CJ . 0.8285 1.3711 1.3493 -0.0980 -0.2014 -0.1337 412 PL9 a C42 ? ? 1 +51870 C C42 B PL9 CJ . 1.0484 1.5916 1.5696 -0.0979 -0.2016 -0.1337 412 PL9 a C42 ? ? 1 +51871 C C43 A PL9 CJ . 0.8089 1.3601 1.3473 -0.1046 -0.1957 -0.1325 412 PL9 a C43 ? ? 1 +51872 C C43 B PL9 CJ . 1.0347 1.5861 1.5732 -0.1045 -0.1958 -0.1325 412 PL9 a C43 ? ? 1 +51873 C C44 A PL9 CJ . 0.7860 1.3536 1.3426 -0.1073 -0.1976 -0.1335 412 PL9 a C44 ? ? 1 +51874 C C44 B PL9 CJ . 1.0134 1.5812 1.5703 -0.1074 -0.1975 -0.1335 412 PL9 a C44 ? ? 1 +51875 C C45 A PL9 CJ . 0.7763 1.3573 1.3391 -0.1031 -0.2061 -0.1354 412 PL9 a C45 ? ? 1 +51876 C C45 B PL9 CJ . 0.9926 1.5742 1.5563 -0.1035 -0.2059 -0.1355 412 PL9 a C45 ? ? 1 +51877 C C46 A PL9 CJ . 0.7676 1.3411 1.3396 -0.1148 -0.1914 -0.1330 412 PL9 a C46 ? ? 1 +51878 C C46 B PL9 CJ . 0.9978 1.5710 1.5698 -0.1150 -0.1911 -0.1330 412 PL9 a C46 ? ? 1 +51879 C C47 A PL9 CJ . 0.7759 1.3436 1.3494 -0.1238 -0.1912 -0.1388 412 PL9 a C47 ? ? 1 +51880 C C47 B PL9 CJ . 1.0135 1.5805 1.5864 -0.1239 -0.1910 -0.1388 412 PL9 a C47 ? ? 1 +51881 C C48 A PL9 CJ . 0.7614 1.3353 1.3505 -0.1317 -0.1854 -0.1388 412 PL9 a C48 ? ? 1 +51882 C C48 B PL9 CJ . 1.0006 1.5739 1.5893 -0.1320 -0.1853 -0.1390 412 PL9 a C48 ? ? 1 +51883 C C49 A PL9 CJ . 0.7608 1.3255 1.3491 -0.1385 -0.1795 -0.1395 412 PL9 a C49 ? ? 1 +51884 C C49 B PL9 CJ . 1.0002 1.5648 1.5887 -0.1392 -0.1800 -0.1403 412 PL9 a C49 ? ? 1 +51885 C C50 A PL9 CJ . 0.7390 1.3109 1.3433 -0.1461 -0.1739 -0.1394 412 PL9 a C50 ? ? 1 +51886 C C50 B PL9 CJ . 0.9601 1.5322 1.5649 -0.1470 -0.1746 -0.1403 412 PL9 a C50 ? ? 1 +51887 C C51 A PL9 CJ . 0.7747 1.3203 1.3452 -0.1389 -0.1778 -0.1405 412 PL9 a C51 ? ? 1 +51888 C C51 B PL9 CJ . 1.0138 1.5596 1.5851 -0.1402 -0.1788 -0.1419 412 PL9 a C51 ? ? 1 +51889 C C52 A PL9 CJ . 1.2456 1.7303 1.6367 0.0169 -0.1058 -0.0159 412 PL9 a C52 ? ? 1 +51890 C C52 B PL9 CJ . 0.8439 1.3275 1.2336 0.0173 -0.1050 -0.0156 412 PL9 a C52 ? ? 1 +51891 C C53 A PL9 CJ . 1.2852 1.7571 1.6548 0.0180 -0.1186 -0.0258 412 PL9 a C53 ? ? 1 +51892 C C53 B PL9 CJ . 0.8805 1.3537 1.2517 0.0178 -0.1194 -0.0260 412 PL9 a C53 ? ? 1 +51893 O O1 A PL9 CJ . 1.2004 1.6933 1.6137 0.0092 -0.0967 -0.0155 412 PL9 a O1 ? ? 1 +51894 O O1 B PL9 CJ . 0.7766 1.2691 1.1893 0.0094 -0.0963 -0.0153 412 PL9 a O1 ? ? 1 +51895 O O2 A PL9 CJ . 1.2932 1.7617 1.6678 0.0103 -0.1181 -0.0330 412 PL9 a O2 ? ? 1 +51896 O O2 B PL9 CJ . 0.8905 1.3625 1.2695 0.0093 -0.1200 -0.0336 412 PL9 a O2 ? ? 1 +51897 O O6 . SQD CK . 0.9596 1.6380 1.6405 0.0427 -0.1043 0.0265 620 SQD b O6 ? ? 1 +51898 C C44 . SQD CK . 0.9339 1.6199 1.6216 0.0379 -0.1044 0.0240 620 SQD b C44 ? ? 1 +51899 C C45 . SQD CK . 0.8809 1.5634 1.5675 0.0315 -0.0986 0.0259 620 SQD b C45 ? ? 1 +51900 C C46 . SQD CK . 0.8606 1.5303 1.5347 0.0319 -0.0955 0.0300 620 SQD b C46 ? ? 1 +51901 O O47 . SQD CK . 0.8878 1.5736 1.5754 0.0283 -0.0999 0.0240 620 SQD b O47 ? ? 1 +51902 C C7 . SQD CK . 0.8307 1.5178 1.5216 0.0224 -0.0958 0.0240 620 SQD b C7 ? ? 1 +51903 O O49 . SQD CK . 0.8702 1.5583 1.5600 0.0204 -0.0971 0.0227 620 SQD b O49 ? ? 1 +51904 C C8 . SQD CK . 0.7807 1.4679 1.4763 0.0184 -0.0900 0.0255 620 SQD b C8 ? ? 1 +51905 C C9 . SQD CK . 0.7590 1.4421 1.4513 0.0135 -0.0859 0.0270 620 SQD b C9 ? ? 1 +51906 C C10 . SQD CK . 0.7359 1.4249 1.4375 0.0084 -0.0821 0.0260 620 SQD b C10 ? ? 1 +51907 C C11 . SQD CK . 0.6872 1.3705 1.3849 0.0046 -0.0771 0.0285 620 SQD b C11 ? ? 1 +51908 C C12 . SQD CK . 0.6850 1.3733 1.3898 -0.0005 -0.0744 0.0271 620 SQD b C12 ? ? 1 +51909 C C13 . SQD CK . 0.6960 1.3905 1.4102 -0.0019 -0.0727 0.0260 620 SQD b C13 ? ? 1 +51910 C C14 . SQD CK . 0.6926 1.3917 1.4133 -0.0068 -0.0700 0.0245 620 SQD b C14 ? ? 1 +51911 C C15 . SQD CK . 0.7273 1.4351 1.4583 -0.0076 -0.0703 0.0218 620 SQD b C15 ? ? 1 +51912 C C16 . SQD CK . 0.7618 1.4707 1.4973 -0.0106 -0.0658 0.0224 620 SQD b C16 ? ? 1 +51913 C C17 . SQD CK . 0.7650 1.4773 1.5051 -0.0154 -0.0638 0.0207 620 SQD b C17 ? ? 1 +51914 C C18 . SQD CK . 0.7240 1.4453 1.4730 -0.0163 -0.0656 0.0171 620 SQD b C18 ? ? 1 +51915 C C19 . SQD CK . 0.7001 1.4243 1.4544 -0.0212 -0.0623 0.0158 620 SQD b C19 ? ? 1 +51916 C C20 . SQD CK . 0.6570 1.3902 1.4204 -0.0227 -0.0637 0.0121 620 SQD b C20 ? ? 1 +51917 C C21 . SQD CK . 0.6414 1.3810 1.4109 -0.0193 -0.0657 0.0106 620 SQD b C21 ? ? 1 +51918 C C22 . SQD CK . 0.6487 1.3979 1.4288 -0.0216 -0.0657 0.0069 620 SQD b C22 ? ? 1 +51919 O O48 . SQD CK . 0.8247 1.4920 1.5009 0.0296 -0.0903 0.0321 620 SQD b O48 ? ? 1 +51920 C C23 . SQD CK . 0.7521 1.4102 1.4202 0.0278 -0.0864 0.0353 620 SQD b C23 ? ? 1 +51921 O O10 . SQD CK . 0.8567 1.5078 1.5152 0.0285 -0.0868 0.0368 620 SQD b O10 ? ? 1 +51922 C C24 . SQD CK . 0.6809 1.3389 1.3536 0.0242 -0.0812 0.0366 620 SQD b C24 ? ? 1 +51923 C C25 . SQD CK . 0.6282 1.2936 1.3095 0.0188 -0.0789 0.0349 620 SQD b C25 ? ? 1 +51924 C C26 . SQD CK . 0.6043 1.2662 1.2857 0.0146 -0.0733 0.0370 620 SQD b C26 ? ? 1 +51925 C C27 . SQD CK . 0.5828 1.2514 1.2722 0.0096 -0.0712 0.0354 620 SQD b C27 ? ? 1 +51926 C C28 . SQD CK . 0.5685 1.2373 1.2621 0.0067 -0.0668 0.0363 620 SQD b C28 ? ? 1 +51927 C C29 . SQD CK . 0.5709 1.2408 1.2665 0.0017 -0.0635 0.0365 620 SQD b C29 ? ? 1 +51928 C C30 . SQD CK . 0.5708 1.2491 1.2759 -0.0011 -0.0631 0.0340 620 SQD b C30 ? ? 1 +51929 C C31 . SQD CK . 0.5743 1.2545 1.2847 -0.0020 -0.0605 0.0340 620 SQD b C31 ? ? 1 +51930 C C32 . SQD CK . 0.5622 1.2494 1.2809 -0.0055 -0.0590 0.0319 620 SQD b C32 ? ? 1 +51931 C C33 . SQD CK . 0.5299 1.2157 1.2476 -0.0096 -0.0564 0.0325 620 SQD b C33 ? ? 1 +51932 C C34 . SQD CK . 0.5371 1.2158 1.2489 -0.0104 -0.0536 0.0353 620 SQD b C34 ? ? 1 +51933 C C35 . SQD CK . 0.5555 1.2330 1.2662 -0.0139 -0.0513 0.0358 620 SQD b C35 ? ? 1 +51934 C C36 . SQD CK . 0.5463 1.2169 1.2500 -0.0140 -0.0496 0.0383 620 SQD b C36 ? ? 1 +51935 C C37 . SQD CK . 0.5303 1.2001 1.2326 -0.0167 -0.0480 0.0386 620 SQD b C37 ? ? 1 +51936 C C38 . SQD CK . 0.5226 1.1950 1.2296 -0.0197 -0.0456 0.0380 620 SQD b C38 ? ? 1 +51937 C C1 . SQD CK . 0.9462 1.6134 1.6132 0.0460 -0.1058 0.0290 620 SQD b C1 ? ? 1 +51938 C C2 . SQD CK . 0.9168 1.5761 1.5768 0.0515 -0.1062 0.0313 620 SQD b C2 ? ? 1 +51939 O O2 . SQD CK . 0.8373 1.4961 1.5017 0.0493 -0.1014 0.0327 620 SQD b O2 ? ? 1 +51940 C C3 . SQD CK . 0.9251 1.5709 1.5693 0.0535 -0.1061 0.0347 620 SQD b C3 ? ? 1 +51941 O O3 . SQD CK . 0.9494 1.5872 1.5858 0.0595 -0.1075 0.0365 620 SQD b O3 ? ? 1 +51942 C C4 . SQD CK . 0.9314 1.5774 1.5704 0.0547 -0.1105 0.0332 620 SQD b C4 ? ? 1 +51943 O O4 . SQD CK . 0.9028 1.5376 1.5297 0.0529 -0.1073 0.0365 620 SQD b O4 ? ? 1 +51944 C C5 . SQD CK . 0.9402 1.5985 1.5905 0.0504 -0.1119 0.0294 620 SQD b C5 ? ? 1 +51945 C C6 . SQD CK . 0.9245 1.5864 1.5732 0.0535 -0.1186 0.0266 620 SQD b C6 ? ? 1 +51946 O O5 . SQD CK . 0.9558 1.6255 1.6205 0.0490 -0.1117 0.0268 620 SQD b O5 ? ? 1 +51947 S S . SQD CK . 0.8565 1.5325 1.5185 0.0486 -0.1206 0.0218 620 SQD b S ? ? 1 +51948 O O7 . SQD CK . 0.8373 1.5244 1.5134 0.0478 -0.1204 0.0194 620 SQD b O7 ? ? 1 +51949 O O8 . SQD CK . 0.8316 1.5044 1.4924 0.0419 -0.1147 0.0235 620 SQD b O8 ? ? 1 +51950 O O9 . SQD CK . 0.8378 1.5142 1.4949 0.0519 -0.1269 0.0197 620 SQD b O9 ? ? 1 +51951 C C1A A DGD CL . 0.4239 1.0072 0.9958 0.0917 0.0521 0.0054 517 DGD c C1A ? ? 1 +51952 C C1A B DGD CL . 0.4595 1.0425 1.0313 0.0920 0.0518 0.0053 517 DGD c C1A ? ? 1 +51953 C C2A A DGD CL . 0.4357 1.0251 1.0104 0.0879 0.0563 0.0064 517 DGD c C2A ? ? 1 +51954 C C2A B DGD CL . 0.4838 1.0725 1.0579 0.0881 0.0560 0.0064 517 DGD c C2A ? ? 1 +51955 C C3A A DGD CL . 0.4368 1.0361 1.0225 0.0824 0.0543 0.0085 517 DGD c C3A ? ? 1 +51956 C C3A B DGD CL . 0.4975 1.0965 1.0829 0.0826 0.0543 0.0084 517 DGD c C3A ? ? 1 +51957 C C4A A DGD CL . 0.4517 1.0511 1.0346 0.0772 0.0569 0.0099 517 DGD c C4A ? ? 1 +51958 C C4A B DGD CL . 0.5274 1.1263 1.1099 0.0774 0.0568 0.0098 517 DGD c C4A ? ? 1 +51959 C C5A A DGD CL . 0.4769 1.0799 1.0599 0.0799 0.0640 0.0091 517 DGD c C5A ? ? 1 +51960 C C5A B DGD CL . 0.5728 1.1750 1.1548 0.0798 0.0639 0.0091 517 DGD c C5A ? ? 1 +51961 C C6A A DGD CL . 0.4979 1.0990 1.0760 0.0751 0.0665 0.0105 517 DGD c C6A ? ? 1 +51962 C C6A B DGD CL . 0.6169 1.2173 1.1944 0.0748 0.0661 0.0106 517 DGD c C6A ? ? 1 +51963 C C7A A DGD CL . 0.5232 1.1298 1.1033 0.0771 0.0742 0.0100 517 DGD c C7A ? ? 1 +51964 C C7A B DGD CL . 0.6686 1.2744 1.2479 0.0766 0.0738 0.0102 517 DGD c C7A ? ? 1 +51965 C C8A A DGD CL . 0.5349 1.1536 1.1270 0.0729 0.0768 0.0117 517 DGD c C8A ? ? 1 +51966 C C8A B DGD CL . 0.7068 1.3254 1.2991 0.0728 0.0764 0.0117 517 DGD c C8A ? ? 1 +51967 C C9A A DGD CL . 0.5596 1.1810 1.1507 0.0731 0.0847 0.0117 517 DGD c C9A ? ? 1 +51968 C C9A B DGD CL . 0.7528 1.3745 1.3445 0.0729 0.0842 0.0118 517 DGD c C9A ? ? 1 +51969 C CAA A DGD CL . 0.5786 1.1919 1.1591 0.0685 0.0852 0.0135 517 DGD c CAA ? ? 1 +51970 C CAA B DGD CL . 0.7872 1.4000 1.3674 0.0685 0.0846 0.0135 517 DGD c CAA ? ? 1 +51971 C CBA A DGD CL . 0.6030 1.2155 1.1785 0.0697 0.0931 0.0133 517 DGD c CBA ? ? 1 +51972 C CBA B DGD CL . 0.8287 1.4407 1.4039 0.0698 0.0926 0.0132 517 DGD c CBA ? ? 1 +51973 C CCA A DGD CL . 0.6256 1.2230 1.1827 0.0708 0.0929 0.0129 517 DGD c CCA ? ? 1 +51974 C CCA B DGD CL . 0.8597 1.4568 1.4166 0.0709 0.0927 0.0128 517 DGD c CCA ? ? 1 +51975 C CDA A DGD CL . 0.6458 1.2405 1.1974 0.0766 0.0988 0.0107 517 DGD c CDA ? ? 1 +51976 C CDA B DGD CL . 0.8863 1.4811 1.4378 0.0764 0.0991 0.0108 517 DGD c CDA ? ? 1 +51977 C CEA A DGD CL . 0.6606 1.2427 1.1951 0.0765 0.1014 0.0108 517 DGD c CEA ? ? 1 +51978 C CEA B DGD CL . 0.8972 1.4794 1.4316 0.0764 0.1016 0.0109 517 DGD c CEA ? ? 1 +51979 C CFA A DGD CL . 0.6580 1.2425 1.1924 0.0720 0.1057 0.0131 517 DGD c CFA ? ? 1 +51980 C CFA B DGD CL . 0.8863 1.4706 1.4203 0.0721 0.1061 0.0131 517 DGD c CFA ? ? 1 +51981 C CGA A DGD CL . 0.6674 1.2381 1.1836 0.0713 0.1062 0.0135 517 DGD c CGA ? ? 1 +51982 C CGA B DGD CL . 0.8850 1.4559 1.4008 0.0720 0.1079 0.0133 517 DGD c CGA ? ? 1 +51983 O O1A A DGD CL . 0.4160 1.0039 0.9953 0.0912 0.0483 0.0061 517 DGD c O1A ? ? 1 +51984 O O1A B DGD CL . 0.4502 1.0386 1.0301 0.0922 0.0484 0.0059 517 DGD c O1A ? ? 1 +51985 C C1B A DGD CL . 0.4174 0.9909 0.9711 0.1080 0.0681 -0.0005 517 DGD c C1B ? ? 1 +51986 C C1B B DGD CL . 0.4257 0.9990 0.9790 0.1085 0.0684 -0.0006 517 DGD c C1B ? ? 1 +51987 C C2B A DGD CL . 0.4313 0.9961 0.9726 0.1085 0.0724 -0.0013 517 DGD c C2B ? ? 1 +51988 C C2B B DGD CL . 0.4394 1.0031 0.9795 0.1082 0.0721 -0.0013 517 DGD c C2B ? ? 1 +51989 C C3B A DGD CL . 0.4276 0.9962 0.9702 0.1019 0.0739 0.0006 517 DGD c C3B ? ? 1 +51990 C C3B B DGD CL . 0.4360 1.0041 0.9779 0.1019 0.0739 0.0006 517 DGD c C3B ? ? 1 +51991 C C4B A DGD CL . 0.4207 0.9873 0.9639 0.0957 0.0676 0.0025 517 DGD c C4B ? ? 1 +51992 C C4B B DGD CL . 0.4288 0.9956 0.9720 0.0953 0.0679 0.0026 517 DGD c C4B ? ? 1 +51993 C C5B A DGD CL . 0.4293 0.9842 0.9590 0.0914 0.0662 0.0030 517 DGD c C5B ? ? 1 +51994 C C5B B DGD CL . 0.4381 0.9934 0.9679 0.0911 0.0665 0.0031 517 DGD c C5B ? ? 1 +51995 C C6B A DGD CL . 0.4222 0.9754 0.9528 0.0853 0.0599 0.0047 517 DGD c C6B ? ? 1 +51996 C C6B B DGD CL . 0.4308 0.9845 0.9618 0.0850 0.0602 0.0048 517 DGD c C6B ? ? 1 +51997 C C7B A DGD CL . 0.4279 0.9747 0.9493 0.0805 0.0597 0.0055 517 DGD c C7B ? ? 1 +51998 C C7B B DGD CL . 0.4380 0.9845 0.9591 0.0803 0.0596 0.0056 517 DGD c C7B ? ? 1 +51999 C C8B A DGD CL . 0.4202 0.9674 0.9442 0.0742 0.0541 0.0073 517 DGD c C8B ? ? 1 +52000 C C8B B DGD CL . 0.4300 0.9773 0.9540 0.0740 0.0540 0.0074 517 DGD c C8B ? ? 1 +52001 C C9B A DGD CL . 0.4230 0.9688 0.9421 0.0699 0.0551 0.0086 517 DGD c C9B ? ? 1 +52002 C C9B B DGD CL . 0.4330 0.9790 0.9522 0.0697 0.0551 0.0087 517 DGD c C9B ? ? 1 +52003 C CAB A DGD CL . 0.4242 0.9634 0.9382 0.0648 0.0489 0.0092 517 DGD c CAB ? ? 1 +52004 C CAB B DGD CL . 0.4351 0.9745 0.9492 0.0645 0.0489 0.0093 517 DGD c CAB ? ? 1 +52005 C CBB A DGD CL . 0.4349 0.9670 0.9378 0.0625 0.0494 0.0093 517 DGD c CBB ? ? 1 +52006 C CBB B DGD CL . 0.4487 0.9813 0.9518 0.0624 0.0497 0.0094 517 DGD c CBB ? ? 1 +52007 C CCB A DGD CL . 0.4330 0.9632 0.9349 0.0568 0.0438 0.0104 517 DGD c CCB ? ? 1 +52008 C CCB B DGD CL . 0.4514 0.9805 0.9520 0.0569 0.0437 0.0103 517 DGD c CCB ? ? 1 +52009 C CDB A DGD CL . 0.4413 0.9681 0.9352 0.0547 0.0452 0.0112 517 DGD c CDB ? ? 1 +52010 C CDB B DGD CL . 0.4604 0.9878 0.9549 0.0545 0.0452 0.0113 517 DGD c CDB ? ? 1 +52011 C CEB A DGD CL . 0.4396 0.9635 0.9311 0.0496 0.0393 0.0119 517 DGD c CEB ? ? 1 +52012 C CEB B DGD CL . 0.4604 0.9858 0.9535 0.0492 0.0395 0.0122 517 DGD c CEB ? ? 1 +52013 C CFB A DGD CL . 0.4414 0.9675 0.9312 0.0473 0.0413 0.0137 517 DGD c CFB ? ? 1 +52014 C CFB B DGD CL . 0.4653 0.9917 0.9552 0.0472 0.0416 0.0139 517 DGD c CFB ? ? 1 +52015 C CGB A DGD CL . 0.4439 0.9620 0.9240 0.0442 0.0363 0.0134 517 DGD c CGB ? ? 1 +52016 C CGB B DGD CL . 0.4672 0.9852 0.9468 0.0443 0.0366 0.0134 517 DGD c CGB ? ? 1 +52017 O O1B A DGD CL . 0.4068 0.9943 0.9741 0.1073 0.0699 0.0002 517 DGD c O1B ? ? 1 +52018 O O1B B DGD CL . 0.4160 1.0033 0.9828 0.1089 0.0710 -0.0003 517 DGD c O1B ? ? 1 +52019 O O1G A DGD CL . 0.4163 0.9873 0.9757 0.0962 0.0527 0.0036 517 DGD c O1G ? ? 1 +52020 O O1G B DGD CL . 0.4379 1.0075 0.9962 0.0959 0.0520 0.0036 517 DGD c O1G ? ? 1 +52021 C C1G A DGD CL . 0.4080 0.9786 0.9685 0.1032 0.0527 0.0019 517 DGD c C1G ? ? 1 +52022 C C1G B DGD CL . 0.4231 0.9909 0.9810 0.1029 0.0523 0.0019 517 DGD c C1G ? ? 1 +52023 C C2G A DGD CL . 0.4042 0.9790 0.9658 0.1088 0.0590 0.0002 517 DGD c C2G ? ? 1 +52024 C C2G B DGD CL . 0.4120 0.9860 0.9729 0.1084 0.0586 0.0003 517 DGD c C2G ? ? 1 +52025 O O2G A DGD CL . 0.4161 0.9810 0.9651 0.1083 0.0619 -0.0005 517 DGD c O2G ? ? 1 +52026 O O2G B DGD CL . 0.4234 0.9886 0.9725 0.1080 0.0620 -0.0004 517 DGD c O2G ? ? 1 +52027 C C3G A DGD CL . 0.4004 0.9730 0.9616 0.1165 0.0582 -0.0016 517 DGD c C3G ? ? 1 +52028 C C3G B DGD CL . 0.4035 0.9760 0.9646 0.1162 0.0582 -0.0016 517 DGD c C3G ? ? 1 +52029 O O3G A DGD CL . 0.3793 0.9613 0.9524 0.1165 0.0547 -0.0008 517 DGD c O3G ? ? 1 +52030 O O3G B DGD CL . 0.3787 0.9607 0.9517 0.1164 0.0547 -0.0008 517 DGD c O3G ? ? 1 +52031 C C1D A DGD CL . 0.3755 0.9516 0.9456 0.1218 0.0513 -0.0018 517 DGD c C1D ? ? 1 +52032 C C1D B DGD CL . 0.3714 0.9474 0.9414 0.1216 0.0512 -0.0017 517 DGD c C1D ? ? 1 +52033 C C2D A DGD CL . 0.3612 0.9472 0.9435 0.1209 0.0472 -0.0006 517 DGD c C2D ? ? 1 +52034 C C2D B DGD CL . 0.3560 0.9414 0.9377 0.1205 0.0470 -0.0005 517 DGD c C2D ? ? 1 +52035 O O2D A DGD CL . 0.3536 0.9354 0.9336 0.1135 0.0430 0.0015 517 DGD c O2D ? ? 1 +52036 O O2D B DGD CL . 0.3478 0.9288 0.9271 0.1133 0.0427 0.0015 517 DGD c O2D ? ? 1 +52037 C C3D A DGD CL . 0.3641 0.9469 0.9456 0.1279 0.0443 -0.0017 517 DGD c C3D ? ? 1 +52038 C C3D B DGD CL . 0.3582 0.9405 0.9393 0.1277 0.0442 -0.0017 517 DGD c C3D ? ? 1 +52039 O O3D A DGD CL . 0.3540 0.9490 0.9487 0.1283 0.0415 -0.0011 517 DGD c O3D ? ? 1 +52040 O O3D B DGD CL . 0.3484 0.9424 0.9423 0.1281 0.0413 -0.0010 517 DGD c O3D ? ? 1 +52041 C C4D A DGD CL . 0.3714 0.9558 0.9526 0.1359 0.0486 -0.0041 517 DGD c C4D ? ? 1 +52042 C C4D B DGD CL . 0.3644 0.9490 0.9458 0.1356 0.0486 -0.0041 517 DGD c C4D ? ? 1 +52043 O O4D A DGD CL . 0.3631 0.9648 0.9590 0.1361 0.0523 -0.0045 517 DGD c O4D ? ? 1 +52044 O O4D B DGD CL . 0.3555 0.9575 0.9517 0.1355 0.0522 -0.0043 517 DGD c O4D ? ? 1 +52045 C C5D A DGD CL . 0.3812 0.9538 0.9490 0.1361 0.0522 -0.0051 517 DGD c C5D ? ? 1 +52046 C C5D B DGD CL . 0.3740 0.9468 0.9420 0.1358 0.0522 -0.0050 517 DGD c C5D ? ? 1 +52047 O O5D A DGD CL . 0.3944 0.9563 0.9523 0.1503 0.0539 -0.0087 517 DGD c O5D ? ? 1 +52048 O O5D B DGD CL . 0.3846 0.9472 0.9433 0.1499 0.0536 -0.0085 517 DGD c O5D ? ? 1 +52049 C C6D A DGD CL . 0.3880 0.9620 0.9552 0.1445 0.0567 -0.0076 517 DGD c C6D ? ? 1 +52050 C C6D B DGD CL . 0.3799 0.9540 0.9472 0.1442 0.0567 -0.0075 517 DGD c C6D ? ? 1 +52051 O O6D A DGD CL . 0.3799 0.9572 0.9497 0.1297 0.0552 -0.0040 517 DGD c O6D ? ? 1 +52052 O O6D B DGD CL . 0.3743 0.9517 0.9442 0.1295 0.0551 -0.0040 517 DGD c O6D ? ? 1 +52053 C C1E A DGD CL . 0.3907 0.9617 0.9578 0.1581 0.0540 -0.0101 517 DGD c C1E ? ? 1 +52054 C C1E B DGD CL . 0.3811 0.9519 0.9481 0.1580 0.0538 -0.0100 517 DGD c C1E ? ? 1 +52055 C C2E A DGD CL . 0.3924 0.9546 0.9546 0.1606 0.0480 -0.0096 517 DGD c C2E ? ? 1 +52056 C C2E B DGD CL . 0.3830 0.9444 0.9446 0.1606 0.0479 -0.0096 517 DGD c C2E ? ? 1 +52057 O O2E A DGD CL . 0.3802 0.9455 0.9473 0.1538 0.0436 -0.0073 517 DGD c O2E ? ? 1 +52058 O O2E B DGD CL . 0.3708 0.9352 0.9373 0.1540 0.0433 -0.0073 517 DGD c O2E ? ? 1 +52059 C C3E A DGD CL . 0.4060 0.9476 0.9498 0.1614 0.0472 -0.0101 517 DGD c C3E ? ? 1 +52060 C C3E B DGD CL . 0.3961 0.9370 0.9392 0.1613 0.0472 -0.0101 517 DGD c C3E ? ? 1 +52061 O O3E A DGD CL . 0.4102 0.9428 0.9488 0.1642 0.0421 -0.0097 517 DGD c O3E ? ? 1 +52062 O O3E B DGD CL . 0.3997 0.9316 0.9377 0.1641 0.0421 -0.0097 517 DGD c O3E ? ? 1 +52063 C C4E A DGD CL . 0.4190 0.9571 0.9572 0.1686 0.0521 -0.0126 517 DGD c C4E ? ? 1 +52064 C C4E B DGD CL . 0.4094 0.9466 0.9467 0.1683 0.0521 -0.0126 517 DGD c C4E ? ? 1 +52065 O O4E A DGD CL . 0.4233 0.9662 0.9669 0.1777 0.0514 -0.0141 517 DGD c O4E ? ? 1 +52066 O O4E B DGD CL . 0.4145 0.9554 0.9563 0.1775 0.0514 -0.0141 517 DGD c O4E ? ? 1 +52067 C C5E A DGD CL . 0.4145 0.9642 0.9598 0.1670 0.0582 -0.0132 517 DGD c C5E ? ? 1 +52068 C C5E B DGD CL . 0.4051 0.9542 0.9498 0.1668 0.0582 -0.0132 517 DGD c C5E ? ? 1 +52069 O O6E A DGD CL . 0.4010 0.9698 0.9640 0.1654 0.0586 -0.0125 517 DGD c O6E ? ? 1 +52070 O O6E B DGD CL . 0.3915 0.9596 0.9539 0.1650 0.0585 -0.0124 517 DGD c O6E ? ? 1 +52071 C C6E A DGD CL . 0.4269 0.9749 0.9684 0.1753 0.0632 -0.0159 517 DGD c C6E ? ? 1 +52072 C C6E B DGD CL . 0.4175 0.9653 0.9587 0.1750 0.0633 -0.0159 517 DGD c C6E ? ? 1 +52073 O O5E A DGD CL . 0.4420 0.9700 0.9656 0.1774 0.0621 -0.0168 517 DGD c O5E ? ? 1 +52074 O O5E B DGD CL . 0.4331 0.9611 0.9564 0.1771 0.0625 -0.0168 517 DGD c O5E ? ? 1 +52075 C C1B . LMT CM . 1.9584 1.9928 2.1558 -0.1037 -0.0418 -0.1172 101 LMT e C1B ? ? 1 +52076 C C2B . LMT CM . 1.9808 1.9974 2.1697 -0.1028 -0.0358 -0.1146 101 LMT e C2B ? ? 1 +52077 C C3B . LMT CM . 1.9786 2.0062 2.1769 -0.0974 -0.0320 -0.1075 101 LMT e C3B ? ? 1 +52078 C C4B . LMT CM . 1.9451 1.9946 2.1632 -0.1040 -0.0341 -0.1062 101 LMT e C4B ? ? 1 +52079 C C5B . LMT CM . 1.8943 1.9602 2.1200 -0.1049 -0.0401 -0.1092 101 LMT e C5B ? ? 1 +52080 C C6B . LMT CM . 1.8029 1.8896 2.0478 -0.1121 -0.0427 -0.1089 101 LMT e C6B ? ? 1 +52081 O O1B . LMT CM . 1.9395 1.9801 2.1338 -0.0924 -0.0416 -0.1143 101 LMT e O1B ? ? 1 +52082 O O2B . LMT CM . 1.9859 1.9829 2.1562 -0.0958 -0.0339 -0.1157 101 LMT e O2B ? ? 1 +52083 O O3B . LMT CM . 2.0000 2.0106 2.1903 -0.0975 -0.0268 -0.1053 101 LMT e O3B ? ? 1 +52084 O O4' . LMT CM . 1.8746 1.9352 2.1011 -0.0980 -0.0309 -0.0997 101 LMT e O4' ? ? 1 +52085 O O5B . LMT CM . 1.9356 1.9899 2.1518 -0.1101 -0.0436 -0.1160 101 LMT e O5B ? ? 1 +52086 O O6B . LMT CM . 1.7154 1.8180 1.9667 -0.1106 -0.0480 -0.1106 101 LMT e O6B ? ? 1 +52087 C C1' . LMT CM . 1.7411 1.7884 1.9158 -0.0725 -0.0490 -0.1187 101 LMT e C1' ? ? 1 +52088 C C2' . LMT CM . 1.7738 1.8006 1.9366 -0.0701 -0.0436 -0.1176 101 LMT e C2' ? ? 1 +52089 C C3' . LMT CM . 1.8037 1.8333 1.9769 -0.0754 -0.0408 -0.1143 101 LMT e C3' ? ? 1 +52090 C C4' . LMT CM . 1.8515 1.8868 2.0347 -0.0882 -0.0447 -0.1181 101 LMT e C4' ? ? 1 +52091 C C5' . LMT CM . 1.8167 1.8723 2.0111 -0.0899 -0.0504 -0.1196 101 LMT e C5' ? ? 1 +52092 C C6' . LMT CM . 1.8143 1.8762 2.0185 -0.1020 -0.0550 -0.1242 101 LMT e C6' ? ? 1 +52093 O O1' . LMT CM . 1.6920 1.7358 1.8560 -0.0677 -0.0517 -0.1218 101 LMT e O1' ? ? 1 +52094 O O2' . LMT CM . 1.7251 1.7481 1.8796 -0.0581 -0.0398 -0.1141 101 LMT e O2' ? ? 1 +52095 O O3' . LMT CM . 1.7758 1.7851 1.9369 -0.0732 -0.0360 -0.1134 101 LMT e O3' ? ? 1 +52096 O O5' . LMT CM . 1.7751 1.8259 1.9578 -0.0843 -0.0530 -0.1226 101 LMT e O5' ? ? 1 +52097 O O6' . LMT CM . 1.7809 1.8644 2.0039 -0.1047 -0.0559 -0.1210 101 LMT e O6' ? ? 1 +52098 C C1 . LMT CM . 1.6178 1.6785 1.7880 -0.0608 -0.0526 -0.1187 101 LMT e C1 ? ? 1 +52099 C C2 . LMT CM . 1.5802 1.6423 1.7447 -0.0615 -0.0581 -0.1236 101 LMT e C2 ? ? 1 +52100 C C3 . LMT CM . 1.5253 1.5992 1.6903 -0.0526 -0.0581 -0.1207 101 LMT e C3 ? ? 1 +52101 C C4 . LMT CM . 1.4940 1.5905 1.6754 -0.0553 -0.0620 -0.1191 101 LMT e C4 ? ? 1 +52102 C C5 . LMT CM . 1.4695 1.5732 1.6471 -0.0506 -0.0654 -0.1202 101 LMT e C5 ? ? 1 +52103 C C6 . LMT CM . 1.4205 1.5465 1.6133 -0.0492 -0.0667 -0.1161 101 LMT e C6 ? ? 1 +52104 C C7 . LMT CM . 1.4104 1.5464 1.6069 -0.0533 -0.0738 -0.1197 101 LMT e C7 ? ? 1 +52105 C C8 . LMT CM . 1.4243 1.5675 1.6168 -0.0456 -0.0745 -0.1180 101 LMT e C8 ? ? 1 +52106 C C9 . LMT CM . 1.4493 1.6075 1.6503 -0.0491 -0.0811 -0.1196 101 LMT e C9 ? ? 1 +52107 C C10 . LMT CM . 1.4529 1.6186 1.6502 -0.0413 -0.0813 -0.1173 101 LMT e C10 ? ? 1 +52108 C C11 . LMT CM . 1.4422 1.6232 1.6483 -0.0441 -0.0877 -0.1182 101 LMT e C11 ? ? 1 +52109 C C12 . LMT CM . 1.4327 1.6119 1.6390 -0.0526 -0.0953 -0.1247 101 LMT e C12 ? ? 1 +52110 MG MG . CLA CN . 0.3754 1.2270 1.3867 -0.1915 0.0264 -0.0421 601 CLA B MG ? ? 1 +52111 C CHA . CLA CN . 0.3598 1.2520 1.4184 -0.2054 0.0255 -0.0575 601 CLA B CHA ? ? 1 +52112 C CHB . CLA CN . 0.3544 1.2082 1.3703 -0.1970 0.0491 -0.0365 601 CLA B CHB ? ? 1 +52113 C CHC . CLA CN . 0.3386 1.1426 1.3041 -0.1873 0.0320 -0.0282 601 CLA B CHC ? ? 1 +52114 C CHD . CLA CN . 0.3384 1.1772 1.3414 -0.1943 0.0084 -0.0485 601 CLA B CHD ? ? 1 +52115 N NA . CLA CN . 0.3734 1.2421 1.4059 -0.1997 0.0358 -0.0458 601 CLA B NA ? ? 1 +52116 C C1A . CLA CN . 0.3788 1.2637 1.4294 -0.2041 0.0344 -0.0519 601 CLA B C1A ? ? 1 +52117 C C2A . CLA CN . 0.4039 1.3023 1.4682 -0.2067 0.0417 -0.0533 601 CLA B C2A ? ? 1 +52118 C C3A . CLA CN . 0.3836 1.2701 1.4339 -0.2031 0.0485 -0.0466 601 CLA B C3A ? ? 1 +52119 C C4A . CLA CN . 0.3693 1.2373 1.4006 -0.1998 0.0443 -0.0426 601 CLA B C4A ? ? 1 +52120 C CMA . CLA CN . 0.3663 1.2627 1.4189 -0.1944 0.0474 -0.0454 601 CLA B CMA ? ? 1 +52121 C CAA . CLA CN . 0.4661 1.3688 1.5427 -0.2180 0.0478 -0.0571 601 CLA B CAA ? ? 1 +52122 C CBA . CLA CN . 0.5398 1.4227 1.6033 -0.2247 0.0556 -0.0531 601 CLA B CBA ? ? 1 +52123 C CGA . CLA CN . 0.6712 1.5519 1.7407 -0.2347 0.0558 -0.0572 601 CLA B CGA ? ? 1 +52124 O O1A . CLA CN . 0.7019 1.5658 1.7603 -0.2401 0.0615 -0.0542 601 CLA B O1A ? ? 1 +52125 O O2A . CLA CN . 0.8474 1.7454 1.9352 -0.2379 0.0494 -0.0647 601 CLA B O2A ? ? 1 +52126 N NB . CLA CN . 0.3503 1.1825 1.3443 -0.1925 0.0382 -0.0339 601 CLA B NB ? ? 1 +52127 C C1B . CLA CN . 0.3488 1.1842 1.3460 -0.1939 0.0464 -0.0322 601 CLA B C1B ? ? 1 +52128 C C2B . CLA CN . 0.3443 1.1633 1.3257 -0.1932 0.0534 -0.0259 601 CLA B C2B ? ? 1 +52129 C C3B . CLA CN . 0.3501 1.1547 1.3170 -0.1904 0.0480 -0.0236 601 CLA B C3B ? ? 1 +52130 C C4B . CLA CN . 0.3487 1.1626 1.3243 -0.1898 0.0391 -0.0286 601 CLA B C4B ? ? 1 +52131 C CMB . CLA CN . 0.3453 1.1627 1.3252 -0.1946 0.0630 -0.0228 601 CLA B CMB ? ? 1 +52132 C CAB . CLA CN . 0.3479 1.1336 1.2959 -0.1880 0.0513 -0.0174 601 CLA B CAB ? ? 1 +52133 C CBB . CLA CN . 0.3521 1.1263 1.2873 -0.1838 0.0461 -0.0152 601 CLA B CBB ? ? 1 +52134 N NC . CLA CN . 0.3452 1.1730 1.3357 -0.1915 0.0219 -0.0391 601 CLA B NC ? ? 1 +52135 C C1C . CLA CN . 0.3377 1.1480 1.3105 -0.1889 0.0245 -0.0333 601 CLA B C1C ? ? 1 +52136 C C2C . CLA CN . 0.3411 1.1375 1.3016 -0.1881 0.0198 -0.0324 601 CLA B C2C ? ? 1 +52137 C C3C . CLA CN . 0.3380 1.1446 1.3095 -0.1902 0.0130 -0.0383 601 CLA B C3C ? ? 1 +52138 C C4C . CLA CN . 0.3379 1.1632 1.3267 -0.1917 0.0145 -0.0419 601 CLA B C4C ? ? 1 +52139 C CMC . CLA CN . 0.3387 1.1157 1.2801 -0.1853 0.0210 -0.0269 601 CLA B CMC ? ? 1 +52140 C CAC . CLA CN . 0.3394 1.1392 1.3051 -0.1900 0.0057 -0.0404 601 CLA B CAC ? ? 1 +52141 C CBC . CLA CN . 0.3255 1.1308 1.2887 -0.1807 -0.0027 -0.0404 601 CLA B CBC ? ? 1 +52142 N ND . CLA CN . 0.3679 1.2271 1.3930 -0.2000 0.0204 -0.0501 601 CLA B ND ? ? 1 +52143 C C1D . CLA CN . 0.3515 1.2080 1.3729 -0.1979 0.0109 -0.0526 601 CLA B C1D ? ? 1 +52144 C C2D . CLA CN . 0.3336 1.2062 1.3718 -0.2009 0.0051 -0.0597 601 CLA B C2D ? ? 1 +52145 C C3D . CLA CN . 0.3437 1.2307 1.3967 -0.2035 0.0111 -0.0613 601 CLA B C3D ? ? 1 +52146 C C4D . CLA CN . 0.3500 1.2289 1.3945 -0.2023 0.0189 -0.0559 601 CLA B C4D ? ? 1 +52147 C CMD . CLA CN . 0.3308 1.2074 1.3729 -0.2012 -0.0043 -0.0648 601 CLA B CMD ? ? 1 +52148 C CAD . CLA CN . 0.3508 1.2585 1.4253 -0.2073 0.0115 -0.0673 601 CLA B CAD ? ? 1 +52149 O OBD . CLA CN . 0.3328 1.2523 1.4192 -0.2087 0.0045 -0.0734 601 CLA B OBD ? ? 1 +52150 C CBD . CLA CN . 0.3578 1.2700 1.4369 -0.2083 0.0209 -0.0649 601 CLA B CBD ? ? 1 +52151 C CGD . CLA CN . 0.3473 1.2762 1.4360 -0.2007 0.0178 -0.0663 601 CLA B CGD ? ? 1 +52152 O O1D . CLA CN . 0.3574 1.2990 1.4593 -0.2031 0.0231 -0.0682 601 CLA B O1D ? ? 1 +52153 O O2D . CLA CN . 0.3288 1.2588 1.4110 -0.1904 0.0088 -0.0654 601 CLA B O2D ? ? 1 +52154 C CED . CLA CN . 0.3159 1.2626 1.4086 -0.1836 0.0044 -0.0679 601 CLA B CED ? ? 1 +52155 C C1 . CLA CN . 0.9121 1.8054 2.0000 -0.2430 0.0441 -0.0683 601 CLA B C1 ? ? 1 +52156 C C2 . CLA CN . 0.9090 1.8178 2.0090 -0.2402 0.0329 -0.0745 601 CLA B C2 ? ? 1 +52157 C C3 . CLA CN . 0.8802 1.7820 1.9737 -0.2394 0.0246 -0.0762 601 CLA B C3 ? ? 1 +52158 C C4 . CLA CN . 0.8621 1.7793 1.9673 -0.2364 0.0137 -0.0824 601 CLA B C4 ? ? 1 +52159 C C5 . CLA CN . 0.8353 1.7136 1.9092 -0.2410 0.0257 -0.0719 601 CLA B C5 ? ? 1 +52160 C C6 . CLA CN . 0.8036 1.6716 1.8602 -0.2303 0.0207 -0.0667 601 CLA B C6 ? ? 1 +52161 C C7 . CLA CN . 0.8001 1.6611 1.8465 -0.2255 0.0275 -0.0601 601 CLA B C7 ? ? 1 +52162 C C8 . CLA CN . 0.7797 1.6192 1.8095 -0.2288 0.0352 -0.0544 601 CLA B C8 ? ? 1 +52163 C C9 . CLA CN . 0.7814 1.6057 1.8038 -0.2361 0.0362 -0.0549 601 CLA B C9 ? ? 1 +52164 C C10 . CLA CN . 0.7461 1.5783 1.7646 -0.2231 0.0406 -0.0479 601 CLA B C10 ? ? 1 +52165 C C11 . CLA CN . 0.7352 1.5449 1.7336 -0.2228 0.0447 -0.0418 601 CLA B C11 ? ? 1 +52166 C C12 . CLA CN . 0.7382 1.5447 1.7280 -0.2161 0.0487 -0.0362 601 CLA B C12 ? ? 1 +52167 C C13 . CLA CN . 0.7794 1.5791 1.7667 -0.2217 0.0601 -0.0332 601 CLA B C13 ? ? 1 +52168 C C14 . CLA CN . 0.8141 1.6318 1.8193 -0.2250 0.0649 -0.0364 601 CLA B C14 ? ? 1 +52169 C C15 . CLA CN . 0.7937 1.5793 1.7632 -0.2153 0.0630 -0.0263 601 CLA B C15 ? ? 1 +52170 C C16 . CLA CN . 0.8089 1.5847 1.7729 -0.2206 0.0742 -0.0228 601 CLA B C16 ? ? 1 +52171 C C17 . CLA CN . 0.8015 1.5547 1.7442 -0.2188 0.0768 -0.0168 601 CLA B C17 ? ? 1 +52172 C C18 . CLA CN . 0.8014 1.5499 1.7338 -0.2121 0.0803 -0.0114 601 CLA B C18 ? ? 1 +52173 C C19 . CLA CN . 0.7931 1.5572 1.7349 -0.2078 0.0813 -0.0119 601 CLA B C19 ? ? 1 +52174 C C20 . CLA CN . 0.8255 1.5542 1.7377 -0.2089 0.0834 -0.0051 601 CLA B C20 ? ? 1 +52175 C C1 . GOL CO . 0.6827 1.1468 1.2431 -0.0822 0.0875 0.0906 627 GOL B C1 ? ? 1 +52176 O O1 . GOL CO . 0.6634 1.1251 1.2211 -0.0774 0.0800 0.0906 627 GOL B O1 ? ? 1 +52177 C C2 . GOL CO . 0.6728 1.1460 1.2354 -0.0793 0.0869 0.0900 627 GOL B C2 ? ? 1 +52178 O O2 . GOL CO . 0.6975 1.1636 1.2473 -0.0722 0.0826 0.0920 627 GOL B O2 ? ? 1 +52179 C C3 . GOL CO . 0.6417 1.1150 1.2042 -0.0835 0.0954 0.0905 627 GOL B C3 ? ? 1 +52180 O O3 . GOL CO . 0.6323 1.0927 1.1874 -0.0882 0.1022 0.0924 627 GOL B O3 ? ? 1 +52181 C C1 . HTG CP . 1.1762 1.6963 1.7569 0.1647 0.1449 -0.0724 522 HTG C C1 ? ? 1 +52182 S S1 . HTG CP . 1.2472 1.7715 1.8378 0.1659 0.1346 -0.0700 522 HTG C S1 ? ? 1 +52183 C C2 . HTG CP . 1.1270 1.6444 1.7016 0.1550 0.1441 -0.0698 522 HTG C C2 ? ? 1 +52184 O O2 . HTG CP . 1.0811 1.5823 1.6419 0.1517 0.1366 -0.0680 522 HTG C O2 ? ? 1 +52185 C C3 . HTG CP . 1.1105 1.6246 1.6765 0.1539 0.1529 -0.0715 522 HTG C C3 ? ? 1 +52186 O O3 . HTG CP . 1.0782 1.5900 1.6386 0.1453 0.1523 -0.0691 522 HTG C O3 ? ? 1 +52187 C C4 . HTG CP . 1.0836 1.6143 1.6639 0.1577 0.1615 -0.0739 522 HTG C C4 ? ? 1 +52188 O O4 . HTG CP . 1.0790 1.6054 1.6502 0.1570 0.1702 -0.0756 522 HTG C O4 ? ? 1 +52189 C C5 . HTG CP . 1.0840 1.6174 1.6706 0.1674 0.1617 -0.0766 522 HTG C C5 ? ? 1 +52190 O O5 . HTG CP . 1.1283 1.6646 1.7225 0.1683 0.1528 -0.0747 522 HTG C O5 ? ? 1 +52191 C C6 . HTG CP . 1.0550 1.6067 1.6579 0.1716 0.1698 -0.0791 522 HTG C C6 ? ? 1 +52192 O O6 . HTG CP . 1.0464 1.5937 1.6454 0.1804 0.1745 -0.0828 522 HTG C O6 ? ? 1 +52193 C C1' . HTG CP . 1.2765 1.7910 1.8619 0.1772 0.1341 -0.0731 522 HTG C C1' ? ? 1 +52194 C C2' . HTG CP . 1.2830 1.7920 1.8685 0.1785 0.1250 -0.0711 522 HTG C C2' ? ? 1 +52195 C C3' . HTG CP . 1.2909 1.7857 1.8664 0.1865 0.1236 -0.0732 522 HTG C C3' ? ? 1 +52196 C C4' . HTG CP . 1.2771 1.7647 1.8511 0.1874 0.1147 -0.0710 522 HTG C C4' ? ? 1 +52197 C C5' . HTG CP . 1.2441 1.7474 1.8355 0.1916 0.1120 -0.0703 522 HTG C C5' ? ? 1 +52198 C C6' . HTG CP . 1.2184 1.7142 1.8078 0.1923 0.1034 -0.0679 522 HTG C C6' ? ? 1 +52199 C C7' . HTG CP . 1.1648 1.6766 1.7711 0.1956 0.1002 -0.0669 522 HTG C C7' ? ? 1 +52200 C C1 . BCR CQ . 0.5856 0.8600 1.0126 0.1245 0.0371 -0.0565 102 BCR K C1 ? ? 1 +52201 C C2 . BCR CQ . 0.5837 0.8627 1.0082 0.1220 0.0398 -0.0586 102 BCR K C2 ? ? 1 +52202 C C3 . BCR CQ . 0.5788 0.8714 1.0109 0.1281 0.0452 -0.0591 102 BCR K C3 ? ? 1 +52203 C C4 . BCR CQ . 0.5910 0.8782 1.0203 0.1382 0.0487 -0.0610 102 BCR K C4 ? ? 1 +52204 C C5 . BCR CQ . 0.5937 0.8753 1.0244 0.1413 0.0457 -0.0593 102 BCR K C5 ? ? 1 +52205 C C6 . BCR CQ . 0.5904 0.8664 1.0201 0.1350 0.0405 -0.0571 102 BCR K C6 ? ? 1 +52206 C C7 . BCR CQ . 0.5928 0.8628 1.0232 0.1377 0.0378 -0.0552 102 BCR K C7 ? ? 1 +52207 C C8 . BCR CQ . 0.5861 0.8651 1.0259 0.1442 0.0384 -0.0533 102 BCR K C8 ? ? 1 +52208 C C9 . BCR CQ . 0.5890 0.8611 1.0282 0.1466 0.0355 -0.0514 102 BCR K C9 ? ? 1 +52209 C C10 . BCR CQ . 0.5753 0.8613 1.0273 0.1492 0.0345 -0.0483 102 BCR K C10 ? ? 1 +52210 C C11 . BCR CQ . 0.5763 0.8585 1.0295 0.1509 0.0313 -0.0457 102 BCR K C11 ? ? 1 +52211 C C33 . BCR CQ . 0.6004 0.8831 1.0334 0.1520 0.0492 -0.0604 102 BCR K C33 ? ? 1 +52212 C C31 . BCR CQ . 0.6004 0.8547 1.0142 0.1206 0.0335 -0.0577 102 BCR K C31 ? ? 1 +52213 C C32 . BCR CQ . 0.5675 0.8558 1.0073 0.1194 0.0341 -0.0525 102 BCR K C32 ? ? 1 +52214 C C34 . BCR CQ . 0.6076 0.8574 1.0324 0.1472 0.0337 -0.0525 102 BCR K C34 ? ? 1 +52215 C C12 . BCR CQ . 0.5621 0.8587 1.0279 0.1517 0.0296 -0.0426 102 BCR K C12 ? ? 1 +52216 C C13 . BCR CQ . 0.5621 0.8557 1.0293 0.1533 0.0263 -0.0396 102 BCR K C13 ? ? 1 +52217 C C14 . BCR CQ . 0.5465 0.8565 1.0269 0.1535 0.0247 -0.0368 102 BCR K C14 ? ? 1 +52218 C C15 . BCR CQ . 0.5450 0.8547 1.0282 0.1554 0.0215 -0.0337 102 BCR K C15 ? ? 1 +52219 C C16 . BCR CQ . 0.5292 0.8548 1.0249 0.1549 0.0196 -0.0309 102 BCR K C16 ? ? 1 +52220 C C17 . BCR CQ . 0.5274 0.8516 1.0246 0.1564 0.0162 -0.0279 102 BCR K C17 ? ? 1 +52221 C C18 . BCR CQ . 0.5113 0.8501 1.0199 0.1548 0.0139 -0.0249 102 BCR K C18 ? ? 1 +52222 C C19 . BCR CQ . 0.5132 0.8461 1.0198 0.1562 0.0104 -0.0219 102 BCR K C19 ? ? 1 +52223 C C20 . BCR CQ . 0.4999 0.8429 1.0147 0.1536 0.0075 -0.0187 102 BCR K C20 ? ? 1 +52224 C C21 . BCR CQ . 0.5042 0.8396 1.0152 0.1552 0.0043 -0.0158 102 BCR K C21 ? ? 1 +52225 C C22 . BCR CQ . 0.4928 0.8362 1.0102 0.1517 0.0014 -0.0124 102 BCR K C22 ? ? 1 +52226 C C23 . BCR CQ . 0.5015 0.8342 1.0126 0.1535 -0.0015 -0.0096 102 BCR K C23 ? ? 1 +52227 C C24 . BCR CQ . 0.4941 0.8296 1.0078 0.1478 -0.0041 -0.0062 102 BCR K C24 ? ? 1 +52228 C C25 . BCR CQ . 0.5026 0.8281 1.0101 0.1496 -0.0069 -0.0030 102 BCR K C25 ? ? 1 +52229 C C26 . BCR CQ . 0.5139 0.8341 1.0178 0.1597 -0.0081 -0.0027 102 BCR K C26 ? ? 1 +52230 C C27 . BCR CQ . 0.5246 0.8317 1.0198 0.1616 -0.0109 0.0006 102 BCR K C27 ? ? 1 +52231 C C28 . BCR CQ . 0.5273 0.8219 1.0145 0.1514 -0.0110 0.0029 102 BCR K C28 ? ? 1 +52232 C C29 . BCR CQ . 0.5083 0.8174 1.0056 0.1416 -0.0107 0.0032 102 BCR K C29 ? ? 1 +52233 C C30 . BCR CQ . 0.5002 0.8194 1.0040 0.1394 -0.0081 -0.0002 102 BCR K C30 ? ? 1 +52234 C C35 . BCR CQ . 0.5802 0.8521 1.0338 0.1548 0.0244 -0.0396 102 BCR K C35 ? ? 1 +52235 C C36 . BCR CQ . 0.4925 0.8524 1.0148 0.1515 0.0153 -0.0251 102 BCR K C36 ? ? 1 +52236 C C37 . BCR CQ . 0.4718 0.8354 1.0028 0.1464 0.0016 -0.0120 102 BCR K C37 ? ? 1 +52237 C C38 . BCR CQ . 0.5181 0.8446 1.0260 0.1703 -0.0070 -0.0056 102 BCR K C38 ? ? 1 +52238 C C39 . BCR CQ . 0.4790 0.8172 0.9957 0.1322 -0.0084 0.0005 102 BCR K C39 ? ? 1 +52239 C C40 . BCR CQ . 0.5105 0.8135 1.0036 0.1332 -0.0063 -0.0016 102 BCR K C40 ? ? 1 +52240 C C1B . LMT CR . 1.2851 1.9654 1.8481 -0.0025 -0.2923 -0.1247 621 LMT b C1B ? ? 1 +52241 O O1B . LMT CR . 1.2935 1.9912 1.8806 -0.0084 -0.2920 -0.1280 621 LMT b O1B ? ? 1 +52242 C C1' . LMT CR . 1.0795 1.8109 1.7239 -0.0252 -0.2750 -0.1264 621 LMT b C1' ? ? 1 +52243 C C2' . LMT CR . 1.1362 1.8498 1.7617 -0.0267 -0.2722 -0.1254 621 LMT b C2' ? ? 1 +52244 C C3' . LMT CR . 1.1881 1.8870 1.7908 -0.0174 -0.2730 -0.1202 621 LMT b C3' ? ? 1 +52245 C C4' . LMT CR . 1.2376 1.9413 1.8363 -0.0091 -0.2838 -0.1226 621 LMT b C4' ? ? 1 +52246 C C5' . LMT CR . 1.2157 1.9396 1.8366 -0.0101 -0.2890 -0.1267 621 LMT b C5' ? ? 1 +52247 C C6' . LMT CR . 1.2208 1.9493 1.8392 -0.0004 -0.2957 -0.1254 621 LMT b C6' ? ? 1 +52248 O O1' . LMT CR . 0.9810 1.7160 1.6363 -0.0289 -0.2652 -0.1220 621 LMT b O1' ? ? 1 +52249 O O2' . LMT CR . 1.1362 1.8516 1.7630 -0.0313 -0.2791 -0.1332 621 LMT b O2' ? ? 1 +52250 O O3' . LMT CR . 1.1272 1.8214 1.7277 -0.0152 -0.2637 -0.1123 621 LMT b O3' ? ? 1 +52251 O O5' . LMT CR . 1.1373 1.8682 1.7736 -0.0153 -0.2799 -0.1236 621 LMT b O5' ? ? 1 +52252 O O6' . LMT CR . 1.2071 1.9469 1.8409 0.0001 -0.2917 -0.1225 621 LMT b O6' ? ? 1 +52253 C C1 . LMT CR . 0.8736 1.6244 1.5515 -0.0363 -0.2645 -0.1264 621 LMT b C1 ? ? 1 +52254 C C2 . LMT CR . 0.8289 1.5756 1.5108 -0.0418 -0.2527 -0.1216 621 LMT b C2 ? ? 1 +52255 C C3 . LMT CR . 0.7755 1.5365 1.4796 -0.0499 -0.2496 -0.1248 621 LMT b C3 ? ? 1 +52256 C C4 . LMT CR . 0.7490 1.5026 1.4537 -0.0565 -0.2384 -0.1210 621 LMT b C4 ? ? 1 +52257 C C5 . LMT CR . 0.7122 1.4784 1.4372 -0.0627 -0.2329 -0.1216 621 LMT b C5 ? ? 1 +52258 C C6 . LMT CR . 0.6869 1.4468 1.4137 -0.0716 -0.2245 -0.1212 621 LMT b C6 ? ? 1 +52259 C C7 . LMT CR . 0.6647 1.4367 1.4113 -0.0784 -0.2192 -0.1224 621 LMT b C7 ? ? 1 +52260 C C8 . LMT CR . 0.6626 1.4312 1.4132 -0.0885 -0.2147 -0.1255 621 LMT b C8 ? ? 1 +52261 C C9 . LMT CR . 0.6475 1.4281 1.4178 -0.0957 -0.2095 -0.1271 621 LMT b C9 ? ? 1 +52262 C C10 . LMT CR . 0.6493 1.4314 1.4272 -0.1059 -0.2090 -0.1333 621 LMT b C10 ? ? 1 +52263 C C11 . LMT CR . 0.6373 1.4148 1.4194 -0.1134 -0.1984 -0.1308 621 LMT b C11 ? ? 1 +52264 C C12 . LMT CR . 0.6347 1.4102 1.4209 -0.1234 -0.1976 -0.1365 621 LMT b C12 ? ? 1 +52265 C C1A A DGD CS . 0.7746 1.0286 1.0582 0.0366 -0.0089 -0.0493 518 DGD c C1A ? ? 1 +52266 C C1A B DGD CS . 0.8533 1.1081 1.1381 0.0357 -0.0092 -0.0491 518 DGD c C1A ? ? 1 +52267 C C2A A DGD CS . 0.8068 1.0567 1.0857 0.0296 -0.0139 -0.0528 518 DGD c C2A ? ? 1 +52268 C C2A B DGD CS . 0.9111 1.1611 1.1904 0.0291 -0.0142 -0.0528 518 DGD c C2A ? ? 1 +52269 C C3A A DGD CS . 0.8308 1.0895 1.1098 0.0308 -0.0147 -0.0527 518 DGD c C3A ? ? 1 +52270 C C3A B DGD CS . 0.9655 1.2241 1.2449 0.0302 -0.0151 -0.0528 518 DGD c C3A ? ? 1 +52271 C C4A A DGD CS . 0.8439 1.1188 1.1373 0.0260 -0.0175 -0.0502 518 DGD c C4A ? ? 1 +52272 C C4A B DGD CS . 1.0151 1.2905 1.3093 0.0258 -0.0174 -0.0501 518 DGD c C4A ? ? 1 +52273 C C5A A DGD CS . 0.8749 1.1583 1.1681 0.0282 -0.0176 -0.0495 518 DGD c C5A ? ? 1 +52274 C C5A B DGD CS . 1.0927 1.3761 1.3863 0.0277 -0.0178 -0.0496 518 DGD c C5A ? ? 1 +52275 C C6A A DGD CS . 0.8905 1.1904 1.1982 0.0246 -0.0195 -0.0465 518 DGD c C6A ? ? 1 +52276 C C6A B DGD CS . 1.1547 1.4550 1.4630 0.0246 -0.0195 -0.0464 518 DGD c C6A ? ? 1 +52277 C C7A A DGD CS . 0.9210 1.2310 1.2319 0.0302 -0.0159 -0.0434 518 DGD c C7A ? ? 1 +52278 C C7A B DGD CS . 1.2382 1.5482 1.5492 0.0302 -0.0158 -0.0434 518 DGD c C7A ? ? 1 +52279 C C8A A DGD CS . 0.9469 1.2683 1.2642 0.0267 -0.0192 -0.0424 518 DGD c C8A ? ? 1 +52280 C C8A B DGD CS . 1.3146 1.6362 1.6321 0.0269 -0.0189 -0.0422 518 DGD c C8A ? ? 1 +52281 C C9A A DGD CS . 0.9900 1.3102 1.2980 0.0309 -0.0178 -0.0429 518 DGD c C9A ? ? 1 +52282 C C9A B DGD CS . 1.4063 1.7267 1.7145 0.0309 -0.0178 -0.0428 518 DGD c C9A ? ? 1 +52283 C CAA A DGD CS . 1.0102 1.3401 1.3229 0.0276 -0.0216 -0.0421 518 DGD c CAA ? ? 1 +52284 C CAA B DGD CS . 1.4653 1.7952 1.7781 0.0275 -0.0217 -0.0421 518 DGD c CAA ? ? 1 +52285 C CBA A DGD CS . 1.0425 1.3659 1.3487 0.0223 -0.0281 -0.0463 518 DGD c CBA ? ? 1 +52286 C CBA B DGD CS . 1.5290 1.8526 1.8357 0.0220 -0.0283 -0.0463 518 DGD c CBA ? ? 1 +52287 C CCA A DGD CS . 1.0507 1.3824 1.3694 0.0154 -0.0327 -0.0459 518 DGD c CCA ? ? 1 +52288 C CCA B DGD CS . 1.5563 1.8881 1.8754 0.0150 -0.0330 -0.0460 518 DGD c CCA ? ? 1 +52289 C CDA A DGD CS . 1.0619 1.3852 1.3800 0.0110 -0.0347 -0.0487 518 DGD c CDA ? ? 1 +52290 C CDA B DGD CS . 1.5596 1.8834 1.8787 0.0106 -0.0348 -0.0486 518 DGD c CDA ? ? 1 +52291 C CEA A DGD CS . 1.0491 1.3812 1.3820 0.0078 -0.0341 -0.0459 518 DGD c CEA ? ? 1 +52292 C CEA B DGD CS . 1.5355 1.8676 1.8689 0.0081 -0.0335 -0.0455 518 DGD c CEA ? ? 1 +52293 C CFA A DGD CS . 1.0534 1.3756 1.3845 0.0046 -0.0343 -0.0480 518 DGD c CFA ? ? 1 +52294 C CFA B DGD CS . 1.5233 1.8460 1.8554 0.0045 -0.0342 -0.0478 518 DGD c CFA ? ? 1 +52295 C CGA A DGD CS . 1.0355 1.3622 1.3754 -0.0034 -0.0392 -0.0493 518 DGD c CGA ? ? 1 +52296 C CGA B DGD CS . 1.4801 1.8069 1.8200 -0.0037 -0.0394 -0.0494 518 DGD c CGA ? ? 1 +52297 O O1A A DGD CS . 0.7670 1.0309 1.0549 0.0415 -0.0061 -0.0469 518 DGD c O1A ? ? 1 +52298 O O1A B DGD CS . 0.8395 1.1061 1.1309 0.0399 -0.0068 -0.0463 518 DGD c O1A ? ? 1 +52299 C C1B A DGD CS . 0.6975 0.9502 0.9728 0.0615 0.0056 -0.0458 518 DGD c C1B ? ? 1 +52300 C C1B B DGD CS . 0.7211 0.9738 0.9965 0.0620 0.0059 -0.0457 518 DGD c C1B ? ? 1 +52301 C C2B A DGD CS . 0.6995 0.9547 0.9694 0.0647 0.0072 -0.0467 518 DGD c C2B ? ? 1 +52302 C C2B B DGD CS . 0.7225 0.9779 0.9927 0.0647 0.0073 -0.0466 518 DGD c C2B ? ? 1 +52303 C C3B A DGD CS . 0.6831 0.9552 0.9652 0.0685 0.0106 -0.0429 518 DGD c C3B ? ? 1 +52304 C C3B B DGD CS . 0.7068 0.9791 0.9889 0.0685 0.0107 -0.0428 518 DGD c C3B ? ? 1 +52305 C C4B A DGD CS . 0.6726 0.9557 0.9603 0.0639 0.0082 -0.0419 518 DGD c C4B ? ? 1 +52306 C C4B B DGD CS . 0.6969 0.9805 0.9851 0.0638 0.0082 -0.0418 518 DGD c C4B ? ? 1 +52307 C C5B A DGD CS . 0.6697 0.9604 0.9577 0.0694 0.0127 -0.0406 518 DGD c C5B ? ? 1 +52308 C C5B B DGD CS . 0.6945 0.9858 0.9828 0.0691 0.0125 -0.0405 518 DGD c C5B ? ? 1 +52309 C C6B A DGD CS . 0.6561 0.9589 0.9566 0.0740 0.0169 -0.0370 518 DGD c C6B ? ? 1 +52310 C C6B B DGD CS . 0.6822 0.9856 0.9826 0.0740 0.0169 -0.0369 518 DGD c C6B ? ? 1 +52311 C C7B A DGD CS . 0.6352 0.9515 0.9509 0.0689 0.0143 -0.0339 518 DGD c C7B ? ? 1 +52312 C C7B B DGD CS . 0.6610 0.9779 0.9770 0.0692 0.0145 -0.0338 518 DGD c C7B ? ? 1 +52313 C C8B A DGD CS . 0.6208 0.9518 0.9487 0.0732 0.0186 -0.0304 518 DGD c C8B ? ? 1 +52314 C C8B B DGD CS . 0.6473 0.9783 0.9752 0.0737 0.0189 -0.0304 518 DGD c C8B ? ? 1 +52315 C C9B A DGD CS . 0.6031 0.9450 0.9456 0.0691 0.0162 -0.0276 518 DGD c C9B ? ? 1 +52316 C C9B B DGD CS . 0.6298 0.9718 0.9722 0.0693 0.0164 -0.0275 518 DGD c C9B ? ? 1 +52317 C CAB A DGD CS . 0.5874 0.9459 0.9424 0.0704 0.0189 -0.0243 518 DGD c CAB ? ? 1 +52318 C CAB B DGD CS . 0.6146 0.9731 0.9695 0.0707 0.0191 -0.0243 518 DGD c CAB ? ? 1 +52319 C CBB A DGD CS . 0.5705 0.9389 0.9387 0.0654 0.0158 -0.0217 518 DGD c CBB ? ? 1 +52320 C CBB B DGD CS . 0.5977 0.9660 0.9659 0.0659 0.0161 -0.0217 518 DGD c CBB ? ? 1 +52321 C CCB A DGD CS . 0.5556 0.9390 0.9344 0.0640 0.0168 -0.0190 518 DGD c CCB ? ? 1 +52322 C CCB B DGD CS . 0.5819 0.9647 0.9603 0.0636 0.0165 -0.0191 518 DGD c CCB ? ? 1 +52323 C CDB A DGD CS . 0.5398 0.9318 0.9302 0.0582 0.0131 -0.0169 518 DGD c CDB ? ? 1 +52324 C CDB B DGD CS . 0.5647 0.9557 0.9547 0.0579 0.0127 -0.0171 518 DGD c CDB ? ? 1 +52325 C CEB A DGD CS . 0.5440 0.9266 0.9292 0.0524 0.0080 -0.0190 518 DGD c CEB ? ? 1 +52326 C CEB B DGD CS . 0.5671 0.9488 0.9518 0.0520 0.0077 -0.0192 518 DGD c CEB ? ? 1 +52327 C CFB A DGD CS . 0.5290 0.9205 0.9249 0.0460 0.0043 -0.0172 518 DGD c CFB ? ? 1 +52328 C CFB B DGD CS . 0.5510 0.9416 0.9461 0.0455 0.0039 -0.0175 518 DGD c CFB ? ? 1 +52329 C CGB A DGD CS . 0.5349 0.9173 0.9259 0.0401 -0.0004 -0.0195 518 DGD c CGB ? ? 1 +52330 C CGB B DGD CS . 0.5565 0.9381 0.9465 0.0395 -0.0009 -0.0199 518 DGD c CGB ? ? 1 +52331 O O1B A DGD CS . 0.6898 0.9475 0.9724 0.0653 0.0082 -0.0431 518 DGD c O1B ? ? 1 +52332 O O1B B DGD CS . 0.7135 0.9705 0.9953 0.0663 0.0087 -0.0432 518 DGD c O1B ? ? 1 +52333 O O1G A DGD CS . 0.7459 0.9918 1.0289 0.0374 -0.0073 -0.0487 518 DGD c O1G ? ? 1 +52334 O O1G B DGD CS . 0.8033 1.0484 1.0856 0.0373 -0.0074 -0.0489 518 DGD c O1G ? ? 1 +52335 C C1G A DGD CS . 0.7165 0.9667 1.0041 0.0444 -0.0029 -0.0455 518 DGD c C1G ? ? 1 +52336 C C1G B DGD CS . 0.7584 1.0077 1.0455 0.0442 -0.0030 -0.0456 518 DGD c C1G ? ? 1 +52337 C C2G A DGD CS . 0.7142 0.9545 0.9897 0.0525 0.0008 -0.0470 518 DGD c C2G ? ? 1 +52338 C C2G B DGD CS . 0.7449 0.9850 1.0205 0.0525 0.0008 -0.0470 518 DGD c C2G ? ? 1 +52339 O O2G A DGD CS . 0.7084 0.9523 0.9801 0.0538 0.0009 -0.0482 518 DGD c O2G ? ? 1 +52340 O O2G B DGD CS . 0.7339 0.9785 1.0064 0.0541 0.0012 -0.0479 518 DGD c O2G ? ? 1 +52341 C C3G A DGD CS . 0.7249 0.9454 0.9863 0.0513 -0.0001 -0.0507 518 DGD c C3G ? ? 1 +52342 C C3G B DGD CS . 0.7518 0.9719 1.0126 0.0517 0.0001 -0.0508 518 DGD c C3G ? ? 1 +52343 O O3G A DGD CS . 0.7135 0.9298 0.9784 0.0476 -0.0012 -0.0498 518 DGD c O3G ? ? 1 +52344 O O3G B DGD CS . 0.7373 0.9515 1.0003 0.0480 -0.0011 -0.0502 518 DGD c O3G ? ? 1 +52345 C C1D A DGD CS . 0.7061 0.9189 0.9703 0.0547 0.0025 -0.0479 518 DGD c C1D ? ? 1 +52346 C C1D B DGD CS . 0.7234 0.9350 0.9868 0.0546 0.0025 -0.0481 518 DGD c C1D ? ? 1 +52347 C C2D A DGD CS . 0.7133 0.9117 0.9720 0.0517 0.0017 -0.0488 518 DGD c C2D ? ? 1 +52348 C C2D B DGD CS . 0.7274 0.9260 0.9866 0.0510 0.0014 -0.0488 518 DGD c C2D ? ? 1 +52349 O O2D A DGD CS . 0.7339 0.9146 0.9769 0.0511 0.0011 -0.0530 518 DGD c O2D ? ? 1 +52350 O O2D B DGD CS . 0.7486 0.9291 0.9925 0.0496 0.0005 -0.0530 518 DGD c O2D ? ? 1 +52351 C C3D A DGD CS . 0.7108 0.9070 0.9705 0.0587 0.0049 -0.0462 518 DGD c C3D ? ? 1 +52352 C C3D B DGD CS . 0.7230 0.9194 0.9833 0.0580 0.0047 -0.0462 518 DGD c C3D ? ? 1 +52353 O O3D A DGD CS . 0.7179 0.9030 0.9747 0.0544 0.0037 -0.0463 518 DGD c O3D ? ? 1 +52354 O O3D B DGD CS . 0.7299 0.9155 0.9875 0.0536 0.0035 -0.0462 518 DGD c O3D ? ? 1 +52355 C C4D A DGD CS . 0.6881 0.9035 0.9632 0.0614 0.0062 -0.0420 518 DGD c C4D ? ? 1 +52356 C C4D B DGD CS . 0.6992 0.9148 0.9748 0.0608 0.0059 -0.0420 518 DGD c C4D ? ? 1 +52357 O O4D A DGD CS . 0.6764 0.8998 0.9620 0.0536 0.0033 -0.0403 518 DGD c O4D ? ? 1 +52358 O O4D B DGD CS . 0.6882 0.9124 0.9745 0.0529 0.0030 -0.0403 518 DGD c O4D ? ? 1 +52359 C C5D A DGD CS . 0.6782 0.9064 0.9577 0.0642 0.0072 -0.0417 518 DGD c C5D ? ? 1 +52360 C C5D B DGD CS . 0.6893 0.9173 0.9687 0.0638 0.0071 -0.0418 518 DGD c C5D ? ? 1 +52361 O O5D A DGD CS . 0.6487 0.8957 0.9463 0.0725 0.0109 -0.0356 518 DGD c O5D ? ? 1 +52362 O O5D B DGD CS . 0.6543 0.9025 0.9526 0.0721 0.0108 -0.0356 518 DGD c O5D ? ? 1 +52363 C C6D A DGD CS . 0.6540 0.9014 0.9492 0.0662 0.0084 -0.0377 518 DGD c C6D ? ? 1 +52364 C C6D B DGD CS . 0.6630 0.9106 0.9583 0.0657 0.0082 -0.0378 518 DGD c C6D ? ? 1 +52365 O O6D A DGD CS . 0.6821 0.9118 0.9609 0.0568 0.0039 -0.0437 518 DGD c O6D ? ? 1 +52366 O O6D B DGD CS . 0.6966 0.9254 0.9747 0.0567 0.0038 -0.0439 518 DGD c O6D ? ? 1 +52367 C C1E A DGD CS . 0.6509 0.8980 0.9447 0.0816 0.0147 -0.0359 518 DGD c C1E ? ? 1 +52368 C C1E B DGD CS . 0.6561 0.9034 0.9500 0.0813 0.0146 -0.0360 518 DGD c C1E ? ? 1 +52369 C C2E A DGD CS . 0.6353 0.8974 0.9422 0.0869 0.0169 -0.0324 518 DGD c C2E ? ? 1 +52370 C C2E B DGD CS . 0.6398 0.9020 0.9468 0.0865 0.0168 -0.0324 518 DGD c C2E ? ? 1 +52371 O O2E A DGD CS . 0.6171 0.8958 0.9373 0.0817 0.0153 -0.0301 518 DGD c O2E ? ? 1 +52372 O O2E B DGD CS . 0.6210 0.8998 0.9415 0.0813 0.0151 -0.0301 518 DGD c O2E ? ? 1 +52373 C C3E A DGD CS . 0.6359 0.8925 0.9437 0.0885 0.0164 -0.0309 518 DGD c C3E ? ? 1 +52374 C C3E B DGD CS . 0.6404 0.8970 0.9481 0.0882 0.0164 -0.0309 518 DGD c C3E ? ? 1 +52375 O O3E A DGD CS . 0.6255 0.8951 0.9440 0.0948 0.0185 -0.0281 518 DGD c O3E ? ? 1 +52376 O O3E B DGD CS . 0.6283 0.8982 0.9471 0.0942 0.0183 -0.0281 518 DGD c O3E ? ? 1 +52377 C C4E A DGD CS . 0.6564 0.8928 0.9487 0.0923 0.0173 -0.0333 518 DGD c C4E ? ? 1 +52378 C C4E B DGD CS . 0.6613 0.8978 0.9535 0.0924 0.0174 -0.0334 518 DGD c C4E ? ? 1 +52379 O O4E A DGD CS . 0.6628 0.8985 0.9512 0.1019 0.0210 -0.0341 518 DGD c O4E ? ? 1 +52380 O O4E B DGD CS . 0.6670 0.9034 0.9556 0.1019 0.0211 -0.0341 518 DGD c O4E ? ? 1 +52381 C C5E A DGD CS . 0.6684 0.8916 0.9494 0.0858 0.0152 -0.0367 518 DGD c C5E ? ? 1 +52382 C C5E B DGD CS . 0.6737 0.8968 0.9545 0.0857 0.0152 -0.0367 518 DGD c C5E ? ? 1 +52383 O O6E A DGD CS . 0.6682 0.8973 0.9484 0.0859 0.0159 -0.0381 518 DGD c O6E ? ? 1 +52384 O O6E B DGD CS . 0.6731 0.9021 0.9533 0.0853 0.0157 -0.0382 518 DGD c O6E ? ? 1 +52385 C C6E A DGD CS . 0.6902 0.8922 0.9552 0.0890 0.0160 -0.0393 518 DGD c C6E ? ? 1 +52386 C C6E B DGD CS . 0.6960 0.8979 0.9608 0.0888 0.0160 -0.0394 518 DGD c C6E ? ? 1 +52387 O O5E A DGD CS . 0.6988 0.8994 0.9590 0.0988 0.0197 -0.0400 518 DGD c O5E ? ? 1 +52388 O O5E B DGD CS . 0.7057 0.9059 0.9654 0.0985 0.0196 -0.0402 518 DGD c O5E ? ? 1 +52389 C CHA . HEM CT . 0.8253 1.1680 1.1195 -0.0721 -0.1971 -0.1537 101 HEM f CHA ? ? 1 +52390 C CHB . HEM CT . 0.8437 1.1728 1.1555 -0.1032 -0.2004 -0.1728 101 HEM f CHB ? ? 1 +52391 C CHC . HEM CT . 0.7975 1.1133 1.1162 -0.0989 -0.1658 -0.1513 101 HEM f CHC ? ? 1 +52392 C CHD . HEM CT . 0.7796 1.1064 1.0776 -0.0684 -0.1629 -0.1349 101 HEM f CHD ? ? 1 +52393 C C1A . HEM CT . 0.8394 1.1797 1.1375 -0.0804 -0.2013 -0.1607 101 HEM f C1A ? ? 1 +52394 C C2A . HEM CT . 0.8648 1.2063 1.1603 -0.0832 -0.2116 -0.1683 101 HEM f C2A ? ? 1 +52395 C C3A . HEM CT . 0.8630 1.2011 1.1641 -0.0921 -0.2125 -0.1738 101 HEM f C3A ? ? 1 +52396 C C4A . HEM CT . 0.8464 1.1805 1.1526 -0.0946 -0.2028 -0.1695 101 HEM f C4A ? ? 1 +52397 C CMA . HEM CT . 0.8806 1.2191 1.1823 -0.0983 -0.2224 -0.1829 101 HEM f CMA ? ? 1 +52398 C CAA . HEM CT . 0.8893 1.2349 1.1774 -0.0774 -0.2203 -0.1701 101 HEM f CAA ? ? 1 +52399 C CBA . HEM CT . 0.9297 1.2590 1.1958 -0.0748 -0.2247 -0.1751 101 HEM f CBA ? ? 1 +52400 C CGA . HEM CT . 0.9537 1.2683 1.2003 -0.0664 -0.2178 -0.1701 101 HEM f CGA ? ? 1 +52401 O O1A . HEM CT . 0.9542 1.2646 1.2016 -0.0653 -0.2079 -0.1645 101 HEM f O1A ? ? 1 +52402 O O2A . HEM CT . 0.9774 1.2838 1.2065 -0.0607 -0.2222 -0.1718 101 HEM f O2A ? ? 1 +52403 C C1B . HEM CT . 0.8308 1.1552 1.1464 -0.1050 -0.1907 -0.1683 101 HEM f C1B ? ? 1 +52404 C C2B . HEM CT . 0.8295 1.1502 1.1527 -0.1143 -0.1882 -0.1714 101 HEM f C2B ? ? 1 +52405 C C3B . HEM CT . 0.8217 1.1379 1.1462 -0.1130 -0.1784 -0.1653 101 HEM f C3B ? ? 1 +52406 C C4B . HEM CT . 0.8107 1.1291 1.1292 -0.1028 -0.1751 -0.1585 101 HEM f C4B ? ? 1 +52407 C CMB . HEM CT . 0.8344 1.1557 1.1630 -0.1238 -0.1950 -0.1800 101 HEM f CMB ? ? 1 +52408 C CAB . HEM CT . 0.8217 1.1326 1.1526 -0.1198 -0.1719 -0.1648 101 HEM f CAB ? ? 1 +52409 C CBB . HEM CT . 0.8278 1.1403 1.1682 -0.1298 -0.1743 -0.1703 101 HEM f CBB ? ? 1 +52410 C C1C . HEM CT . 0.7870 1.1047 1.1005 -0.0898 -0.1622 -0.1450 101 HEM f C1C ? ? 1 +52411 C C2C . HEM CT . 0.7797 1.0926 1.0905 -0.0852 -0.1532 -0.1385 101 HEM f C2C ? ? 1 +52412 C C3C . HEM CT . 0.7738 1.0904 1.0793 -0.0766 -0.1522 -0.1339 101 HEM f C3C ? ? 1 +52413 C C4C . HEM CT . 0.7795 1.1023 1.0833 -0.0758 -0.1610 -0.1376 101 HEM f C4C ? ? 1 +52414 C CMC . HEM CT . 0.7781 1.0831 1.0912 -0.0888 -0.1457 -0.1368 101 HEM f CMC ? ? 1 +52415 C CAC . HEM CT . 0.7656 1.0786 1.0669 -0.0699 -0.1435 -0.1269 101 HEM f CAC ? ? 1 +52416 C CBC . HEM CT . 0.7667 1.0780 1.0579 -0.0615 -0.1419 -0.1234 101 HEM f CBC ? ? 1 +52417 C C1D . HEM CT . 0.7864 1.1185 1.0821 -0.0675 -0.1717 -0.1387 101 HEM f C1D ? ? 1 +52418 C C2D . HEM CT . 0.7878 1.1258 1.0794 -0.0598 -0.1733 -0.1349 101 HEM f C2D ? ? 1 +52419 C C3D . HEM CT . 0.8030 1.1448 1.0929 -0.0606 -0.1828 -0.1401 101 HEM f C3D ? ? 1 +52420 C C4D . HEM CT . 0.8082 1.1473 1.1023 -0.0691 -0.1869 -0.1470 101 HEM f C4D ? ? 1 +52421 C CMD . HEM CT . 0.7758 1.1155 1.0654 -0.0524 -0.1660 -0.1270 101 HEM f CMD ? ? 1 +52422 C CAD . HEM CT . 0.8148 1.1634 1.1009 -0.0546 -0.1884 -0.1390 101 HEM f CAD ? ? 1 +52423 C CBD . HEM CT . 0.8037 1.1714 1.1122 -0.0593 -0.1918 -0.1389 101 HEM f CBD ? ? 1 +52424 C CGD . HEM CT . 0.8046 1.1843 1.1170 -0.0561 -0.1996 -0.1394 101 HEM f CGD ? ? 1 +52425 O O1D . HEM CT . 0.7875 1.1808 1.1141 -0.0557 -0.1984 -0.1354 101 HEM f O1D ? ? 1 +52426 O O2D . HEM CT . 0.8201 1.1963 1.1220 -0.0541 -0.2074 -0.1439 101 HEM f O2D ? ? 1 +52427 N NA . HEM CT . 0.8318 1.1674 1.1359 -0.0872 -0.1961 -0.1616 101 HEM f NA ? ? 1 +52428 N NB . HEM CT . 0.8165 1.1392 1.1294 -0.0986 -0.1826 -0.1606 101 HEM f NB ? ? 1 +52429 N NC . HEM CT . 0.7881 1.1116 1.0969 -0.0837 -0.1671 -0.1444 101 HEM f NC ? ? 1 +52430 N ND . HEM CT . 0.7983 1.1312 1.0953 -0.0730 -0.1799 -0.1458 101 HEM f ND ? ? 1 +52431 FE FE . HEM CT . 0.8092 1.1363 1.1120 -0.0844 -0.1815 -0.1530 101 HEM f FE ? ? 1 +52432 MG MG . CLA CU . 0.1185 0.8923 1.0215 -0.1437 0.0286 -0.0028 602 CLA B MG ? ? 1 +52433 C CHA . CLA CU . 0.1144 0.8672 0.9917 -0.1330 0.0148 0.0010 602 CLA B CHA ? ? 1 +52434 C CHB . CLA CU . 0.1055 0.9104 1.0353 -0.1407 0.0130 -0.0140 602 CLA B CHB ? ? 1 +52435 C CHC . CLA CU . 0.1301 0.9215 1.0615 -0.1612 0.0432 -0.0091 602 CLA B CHC ? ? 1 +52436 C CHD . CLA CU . 0.1418 0.8770 1.0157 -0.1511 0.0426 0.0066 602 CLA B CHD ? ? 1 +52437 N NA . CLA CU . 0.1122 0.8900 1.0154 -0.1381 0.0167 -0.0056 602 CLA B NA ? ? 1 +52438 C C1A . CLA CU . 0.1113 0.8800 1.0033 -0.1338 0.0123 -0.0035 602 CLA B C1A ? ? 1 +52439 C C2A . CLA CU . 0.1063 0.8821 1.0009 -0.1286 0.0042 -0.0058 602 CLA B C2A ? ? 1 +52440 C C3A . CLA CU . 0.1017 0.8939 1.0118 -0.1297 0.0039 -0.0098 602 CLA B C3A ? ? 1 +52441 C C4A . CLA CU . 0.1072 0.8990 1.0222 -0.1368 0.0117 -0.0099 602 CLA B C4A ? ? 1 +52442 C CMA . CLA CU . 0.0943 0.8942 1.0061 -0.1233 0.0033 -0.0089 602 CLA B CMA ? ? 1 +52443 C CAA . CLA CU . 0.1128 0.8833 1.0047 -0.1303 -0.0008 -0.0078 602 CLA B CAA ? ? 1 +52444 C CBA . CLA CU . 0.1107 0.8853 1.0017 -0.1244 -0.0089 -0.0093 602 CLA B CBA ? ? 1 +52445 C CGA . CLA CU . 0.1146 0.8771 0.9910 -0.1194 -0.0105 -0.0053 602 CLA B CGA ? ? 1 +52446 O O1A . CLA CU . 0.1077 0.8720 0.9807 -0.1132 -0.0138 -0.0042 602 CLA B O1A ? ? 1 +52447 O O2A . CLA CU . 0.1320 0.8807 0.9985 -0.1221 -0.0080 -0.0029 602 CLA B O2A ? ? 1 +52448 N NB . CLA CU . 0.1168 0.9112 1.0433 -0.1498 0.0279 -0.0102 602 CLA B NB ? ? 1 +52449 C C1B . CLA CU . 0.1109 0.9176 1.0471 -0.1475 0.0210 -0.0143 602 CLA B C1B ? ? 1 +52450 C C2B . CLA CU . 0.1108 0.9329 1.0648 -0.1524 0.0217 -0.0196 602 CLA B C2B ? ? 1 +52451 C C3B . CLA CU . 0.1181 0.9360 1.0726 -0.1587 0.0311 -0.0180 602 CLA B C3B ? ? 1 +52452 C C4B . CLA CU . 0.1215 0.9224 1.0585 -0.1564 0.0341 -0.0122 602 CLA B C4B ? ? 1 +52453 C CMB . CLA CU . 0.1047 0.9415 1.0710 -0.1505 0.0143 -0.0248 602 CLA B CMB ? ? 1 +52454 C CAB . CLA CU . 0.1231 0.9499 1.0911 -0.1663 0.0369 -0.0213 602 CLA B CAB ? ? 1 +52455 C CBB . CLA CU . 0.1222 0.9623 1.1050 -0.1694 0.0333 -0.0268 602 CLA B CBB ? ? 1 +52456 N NC . CLA CU . 0.1318 0.8966 1.0340 -0.1538 0.0398 -0.0015 602 CLA B NC ? ? 1 +52457 C C1C . CLA CU . 0.1364 0.9097 1.0505 -0.1599 0.0454 -0.0040 602 CLA B C1C ? ? 1 +52458 C C2C . CLA CU . 0.1477 0.9106 1.0569 -0.1663 0.0540 -0.0019 602 CLA B C2C ? ? 1 +52459 C C3C . CLA CU . 0.1505 0.8967 1.0424 -0.1628 0.0532 0.0028 602 CLA B C3C ? ? 1 +52460 C C4C . CLA CU . 0.1401 0.8896 1.0298 -0.1555 0.0449 0.0026 602 CLA B C4C ? ? 1 +52461 C CMC . CLA CU . 0.1548 0.9222 1.0735 -0.1741 0.0617 -0.0037 602 CLA B CMC ? ? 1 +52462 C CAC . CLA CU . 0.1621 0.8918 1.0412 -0.1658 0.0599 0.0069 602 CLA B CAC ? ? 1 +52463 C CBC . CLA CU . 0.1612 0.8890 1.0336 -0.1611 0.0640 0.0108 602 CLA B CBC ? ? 1 +52464 N ND . CLA CU . 0.1267 0.8775 1.0099 -0.1439 0.0284 0.0016 602 CLA B ND ? ? 1 +52465 C C1D . CLA CU . 0.1337 0.8703 1.0048 -0.1451 0.0345 0.0062 602 CLA B C1D ? ? 1 +52466 C C2D . CLA CU . 0.1340 0.8578 0.9907 -0.1405 0.0315 0.0096 602 CLA B C2D ? ? 1 +52467 C C3D . CLA CU . 0.1253 0.8569 0.9858 -0.1360 0.0238 0.0073 602 CLA B C3D ? ? 1 +52468 C C4D . CLA CU . 0.1215 0.8675 0.9958 -0.1375 0.0226 0.0034 602 CLA B C4D ? ? 1 +52469 C CMD . CLA CU . 0.1409 0.8485 0.9827 -0.1396 0.0345 0.0141 602 CLA B CMD ? ? 1 +52470 C CAD . CLA CU . 0.1199 0.8488 0.9739 -0.1300 0.0169 0.0079 602 CLA B CAD ? ? 1 +52471 O OBD . CLA CU . 0.1224 0.8399 0.9642 -0.1270 0.0162 0.0111 602 CLA B OBD ? ? 1 +52472 C CBD . CLA CU . 0.1126 0.8546 0.9766 -0.1278 0.0110 0.0040 602 CLA B CBD ? ? 1 +52473 C CGD . CLA CU . 0.1040 0.8490 0.9645 -0.1205 0.0086 0.0060 602 CLA B CGD ? ? 1 +52474 O O1D . CLA CU . 0.1015 0.8481 0.9613 -0.1188 0.0125 0.0080 602 CLA B O1D ? ? 1 +52475 O O2D . CLA CU . 0.0986 0.8441 0.9558 -0.1153 0.0017 0.0054 602 CLA B O2D ? ? 1 +52476 C CED . CLA CU . 0.0918 0.8427 0.9487 -0.1093 -0.0002 0.0064 602 CLA B CED ? ? 1 +52477 C C1 . CLA CU . 0.1442 0.8819 0.9974 -0.1173 -0.0087 0.0011 602 CLA B C1 ? ? 1 +52478 C C2 . CLA CU . 0.1610 0.8863 1.0063 -0.1208 -0.0032 0.0041 602 CLA B C2 ? ? 1 +52479 C C3 . CLA CU . 0.1831 0.9013 1.0263 -0.1253 -0.0032 0.0029 602 CLA B C3 ? ? 1 +52480 C C4 . CLA CU . 0.1831 0.9052 1.0314 -0.1269 -0.0088 -0.0014 602 CLA B C4 ? ? 1 +52481 C C5 . CLA CU . 0.2075 0.9130 1.0427 -0.1286 0.0023 0.0058 602 CLA B C5 ? ? 1 +52482 C C6 . CLA CU . 0.2266 0.9208 1.0505 -0.1257 -0.0008 0.0074 602 CLA B C6 ? ? 1 +52483 C C7 . CLA CU . 0.2497 0.9310 1.0630 -0.1259 0.0042 0.0116 602 CLA B C7 ? ? 1 +52484 C C8 . CLA CU . 0.2679 0.9371 1.0711 -0.1248 0.0019 0.0125 602 CLA B C8 ? ? 1 +52485 C C9 . CLA CU . 0.2680 0.9385 1.0708 -0.1224 -0.0046 0.0101 602 CLA B C9 ? ? 1 +52486 C C10 . CLA CU . 0.2870 0.9429 1.0799 -0.1254 0.0067 0.0163 602 CLA B C10 ? ? 1 +52487 C C11 . CLA CU . 0.3031 0.9490 1.0845 -0.1205 0.0043 0.0187 602 CLA B C11 ? ? 1 +52488 C C12 . CLA CU . 0.3036 0.9483 1.0793 -0.1153 0.0057 0.0225 602 CLA B C12 ? ? 1 +52489 C C13 . CLA CU . 0.3135 0.9471 1.0778 -0.1113 0.0042 0.0249 602 CLA B C13 ? ? 1 +52490 C C14 . CLA CU . 0.3240 0.9502 1.0804 -0.1096 0.0084 0.0289 602 CLA B C14 ? ? 1 +52491 C C15 . CLA CU . 0.3151 0.9544 1.0796 -0.1059 -0.0011 0.0244 602 CLA B C15 ? ? 1 +52492 C C16 . CLA CU . 0.3282 0.9583 1.0831 -0.1019 -0.0032 0.0260 602 CLA B C16 ? ? 1 +52493 C C17 . CLA CU . 0.3350 0.9659 1.0913 -0.1021 -0.0077 0.0229 602 CLA B C17 ? ? 1 +52494 C C18 . CLA CU . 0.3272 0.9603 1.0808 -0.0964 -0.0120 0.0231 602 CLA B C18 ? ? 1 +52495 C C19 . CLA CU . 0.3290 0.9652 1.0849 -0.0961 -0.0167 0.0199 602 CLA B C19 ? ? 1 +52496 C C20 . CLA CU . 0.3413 0.9748 1.0907 -0.0914 -0.0116 0.0262 602 CLA B C20 ? ? 1 +52497 C C1B . LMT CV . 1.2215 1.4805 1.7024 -0.1346 0.1130 0.0935 628 LMT B C1B ? ? 1 +52498 C C2B . LMT CV . 1.2179 1.4707 1.6889 -0.1238 0.1054 0.0950 628 LMT B C2B ? ? 1 +52499 C C3B . LMT CV . 1.2208 1.4626 1.6880 -0.1242 0.1032 0.0936 628 LMT B C3B ? ? 1 +52500 C C4B . LMT CV . 1.2442 1.4668 1.7020 -0.1320 0.1112 0.0947 628 LMT B C4B ? ? 1 +52501 C C5B . LMT CV . 1.2419 1.4736 1.7117 -0.1428 0.1181 0.0928 628 LMT B C5B ? ? 1 +52502 C C6B . LMT CV . 1.2547 1.4675 1.7153 -0.1512 0.1267 0.0940 628 LMT B C6B ? ? 1 +52503 O O1B . LMT CV . 1.1783 1.4568 1.6791 -0.1391 0.1101 0.0888 628 LMT B O1B ? ? 1 +52504 O O2B . LMT CV . 1.1544 1.4269 1.6369 -0.1182 0.0982 0.0932 628 LMT B O2B ? ? 1 +52505 O O3B . LMT CV . 1.1992 1.4319 1.6542 -0.1139 0.0975 0.0958 628 LMT B O3B ? ? 1 +52506 O O4' . LMT CV . 1.2380 1.4533 1.6954 -0.1334 0.1089 0.0925 628 LMT B O4' ? ? 1 +52507 O O5B . LMT CV . 1.2394 1.4793 1.7102 -0.1412 0.1203 0.0948 628 LMT B O5B ? ? 1 +52508 O O6B . LMT CV . 1.2381 1.4511 1.7068 -0.1579 0.1265 0.0901 628 LMT B O6B ? ? 1 +52509 C C1' . LMT CV . 1.1072 1.4448 1.6608 -0.1543 0.1127 0.0795 628 LMT B C1' ? ? 1 +52510 C C2' . LMT CV . 1.1401 1.4638 1.6777 -0.1517 0.1181 0.0844 628 LMT B C2' ? ? 1 +52511 C C3' . LMT CV . 1.1347 1.4374 1.6524 -0.1449 0.1160 0.0880 628 LMT B C3' ? ? 1 +52512 C C4' . LMT CV . 1.1487 1.4400 1.6635 -0.1479 0.1152 0.0864 628 LMT B C4' ? ? 1 +52513 C C5' . LMT CV . 1.1308 1.4392 1.6639 -0.1510 0.1102 0.0813 628 LMT B C5' ? ? 1 +52514 C C6' . LMT CV . 1.1102 1.4084 1.6419 -0.1551 0.1099 0.0793 628 LMT B C6' ? ? 1 +52515 O O1' . LMT CV . 1.0230 1.3780 1.5939 -0.1611 0.1151 0.0762 628 LMT B O1' ? ? 1 +52516 O O2' . LMT CV . 1.1618 1.4982 1.7030 -0.1467 0.1161 0.0853 628 LMT B O2' ? ? 1 +52517 O O3' . LMT CV . 1.0960 1.3828 1.5982 -0.1451 0.1228 0.0922 628 LMT B O3' ? ? 1 +52518 O O5' . LMT CV . 1.1331 1.4573 1.6820 -0.1585 0.1140 0.0786 628 LMT B O5' ? ? 1 +52519 O O6' . LMT CV . 1.0963 1.3723 1.6131 -0.1589 0.1167 0.0819 628 LMT B O6' ? ? 1 +52520 C C1 . LMT CV . 0.9226 1.2932 1.5092 -0.1622 0.1091 0.0716 628 LMT B C1 ? ? 1 +52521 C C2 . LMT CV . 0.8482 1.2404 1.4491 -0.1607 0.1065 0.0698 628 LMT B C2 ? ? 1 +52522 C C3 . LMT CV . 0.7983 1.2063 1.4138 -0.1602 0.0993 0.0655 628 LMT B C3 ? ? 1 +52523 C C4 . LMT CV . 0.7758 1.2022 1.4097 -0.1667 0.1009 0.0616 628 LMT B C4 ? ? 1 +52524 C C5 . LMT CV . 0.7540 1.1972 1.4016 -0.1647 0.0933 0.0577 628 LMT B C5 ? ? 1 +52525 C C6 . LMT CV . 0.7341 1.1968 1.3997 -0.1695 0.0941 0.0541 628 LMT B C6 ? ? 1 +52526 C C7 . LMT CV . 0.7597 1.2217 1.4323 -0.1799 0.1003 0.0516 628 LMT B C7 ? ? 1 +52527 C C8 . LMT CV . 0.7609 1.2377 1.4505 -0.1847 0.0968 0.0461 628 LMT B C8 ? ? 1 +52528 C C9 . LMT CV . 0.7465 1.2378 1.4441 -0.1786 0.0881 0.0440 628 LMT B C9 ? ? 1 +52529 C C10 . LMT CV . 0.7544 1.2636 1.4704 -0.1832 0.0856 0.0387 628 LMT B C10 ? ? 1 +52530 C C11 . LMT CV . 0.7832 1.2886 1.5033 -0.1903 0.0854 0.0352 628 LMT B C11 ? ? 1 +52531 C C12 . LMT CV . 0.7705 1.2924 1.5056 -0.1910 0.0789 0.0301 628 LMT B C12 ? ? 1 +52532 C C1 A GOL CW . 0.3396 0.8584 0.8978 0.0059 0.0158 -0.0057 523 GOL C C1 ? ? 1 +52533 C C1 B GOL CW . 0.2721 0.7902 0.8295 0.0060 0.0159 -0.0059 523 GOL C C1 ? ? 1 +52534 O O1 A GOL CW . 0.3478 0.8609 0.8993 0.0089 0.0201 -0.0077 523 GOL C O1 ? ? 1 +52535 O O1 B GOL CW . 0.2803 0.7932 0.8329 0.0092 0.0194 -0.0079 523 GOL C O1 ? ? 1 +52536 C C2 A GOL CW . 0.3434 0.8565 0.8962 0.0042 0.0092 -0.0064 523 GOL C C2 ? ? 1 +52537 C C2 B GOL CW . 0.2754 0.7877 0.8269 0.0042 0.0094 -0.0065 523 GOL C C2 ? ? 1 +52538 O O2 A GOL CW . 0.3531 0.8579 0.8931 0.0046 0.0091 -0.0076 523 GOL C O2 ? ? 1 +52539 O O2 B GOL CW . 0.2851 0.7900 0.8244 0.0045 0.0095 -0.0074 523 GOL C O2 ? ? 1 +52540 C C3 A GOL CW . 0.3340 0.8533 0.8940 0.0010 0.0048 -0.0045 523 GOL C C3 ? ? 1 +52541 C C3 B GOL CW . 0.2646 0.7835 0.8240 0.0012 0.0050 -0.0046 523 GOL C C3 ? ? 1 +52542 O O3 A GOL CW . 0.3397 0.8546 0.8961 -0.0006 -0.0012 -0.0055 523 GOL C O3 ? ? 1 +52543 O O3 B GOL CW . 0.2680 0.7825 0.8242 -0.0004 -0.0011 -0.0056 523 GOL C O3 ? ? 1 +52544 O O1 A LHG CX . 0.2657 0.8256 0.8682 0.0022 -0.0317 0.0677 101 LHG L O1 ? ? 1 +52545 O O1 B LHG CX . 0.2753 0.8346 0.8772 0.0024 -0.0317 0.0678 101 LHG L O1 ? ? 1 +52546 C C1 A LHG CX . 0.2671 0.8268 0.8718 0.0046 -0.0340 0.0670 101 LHG L C1 ? ? 1 +52547 C C1 B LHG CX . 0.2772 0.8362 0.8814 0.0047 -0.0340 0.0671 101 LHG L C1 ? ? 1 +52548 C C2 A LHG CX . 0.2807 0.8319 0.8753 0.0102 -0.0368 0.0683 101 LHG L C2 ? ? 1 +52549 C C2 B LHG CX . 0.2905 0.8420 0.8853 0.0105 -0.0372 0.0681 101 LHG L C2 ? ? 1 +52550 O O2 A LHG CX . 0.2796 0.8362 0.8748 0.0141 -0.0417 0.0667 101 LHG L O2 ? ? 1 +52551 O O2 B LHG CX . 0.2869 0.8455 0.8844 0.0141 -0.0423 0.0662 101 LHG L O2 ? ? 1 +52552 C C3 A LHG CX . 0.2841 0.8315 0.8786 0.0124 -0.0377 0.0683 101 LHG L C3 ? ? 1 +52553 C C3 B LHG CX . 0.2949 0.8415 0.8885 0.0128 -0.0378 0.0684 101 LHG L C3 ? ? 1 +52554 O O3 A LHG CX . 0.2873 0.8267 0.8786 0.0090 -0.0329 0.0701 101 LHG L O3 ? ? 1 +52555 O O3 B LHG CX . 0.2962 0.8352 0.8870 0.0091 -0.0329 0.0702 101 LHG L O3 ? ? 1 +52556 P P A LHG CX . 0.2856 0.8248 0.8818 0.0083 -0.0324 0.0693 101 LHG L P ? ? 1 +52557 P P B LHG CX . 0.2940 0.8330 0.8900 0.0082 -0.0324 0.0694 101 LHG L P ? ? 1 +52558 O O4 A LHG CX . 0.2836 0.8242 0.8802 0.0140 -0.0372 0.0682 101 LHG L O4 ? ? 1 +52559 O O4 B LHG CX . 0.2908 0.8306 0.8868 0.0140 -0.0370 0.0683 101 LHG L O4 ? ? 1 +52560 O O5 A LHG CX . 0.2958 0.8242 0.8858 0.0052 -0.0277 0.0715 101 LHG L O5 ? ? 1 +52561 O O5 B LHG CX . 0.3043 0.8334 0.8951 0.0047 -0.0274 0.0714 101 LHG L O5 ? ? 1 +52562 O O6 A LHG CX . 0.2716 0.8233 0.8809 0.0038 -0.0317 0.0670 101 LHG L O6 ? ? 1 +52563 O O6 B LHG CX . 0.2802 0.8321 0.8893 0.0039 -0.0319 0.0670 101 LHG L O6 ? ? 1 +52564 C C4 A LHG CX . 0.2670 0.8272 0.8849 0.0055 -0.0349 0.0646 101 LHG L C4 ? ? 1 +52565 C C4 B LHG CX . 0.2777 0.8381 0.8954 0.0056 -0.0350 0.0646 101 LHG L C4 ? ? 1 +52566 C C5 A LHG CX . 0.2545 0.8254 0.8828 0.0012 -0.0339 0.0628 101 LHG L C5 ? ? 1 +52567 C C5 B LHG CX . 0.2652 0.8361 0.8932 0.0012 -0.0339 0.0629 101 LHG L C5 ? ? 1 +52568 C C6 A LHG CX . 0.2467 0.8276 0.8833 0.0031 -0.0374 0.0603 101 LHG L C6 ? ? 1 +52569 C C6 B LHG CX . 0.2574 0.8384 0.8939 0.0030 -0.0373 0.0603 101 LHG L C6 ? ? 1 +52570 O O7 A LHG CX . 0.2569 0.8254 0.8875 -0.0029 -0.0304 0.0630 101 LHG L O7 ? ? 1 +52571 O O7 B LHG CX . 0.2695 0.8374 0.8993 -0.0028 -0.0303 0.0632 101 LHG L O7 ? ? 1 +52572 C C7 A LHG CX . 0.2564 0.8277 0.8904 -0.0077 -0.0273 0.0631 101 LHG L C7 ? ? 1 +52573 C C7 B LHG CX . 0.2709 0.8422 0.9047 -0.0077 -0.0273 0.0631 101 LHG L C7 ? ? 1 +52574 O O9 A LHG CX . 0.2508 0.8271 0.8867 -0.0088 -0.0274 0.0628 101 LHG L O9 ? ? 1 +52575 O O9 B LHG CX . 0.2624 0.8395 0.8991 -0.0091 -0.0273 0.0627 101 LHG L O9 ? ? 1 +52576 C C8 A LHG CX . 0.2617 0.8288 0.8965 -0.0114 -0.0240 0.0635 101 LHG L C8 ? ? 1 +52577 C C8 B LHG CX . 0.2789 0.8458 0.9134 -0.0112 -0.0241 0.0635 101 LHG L C8 ? ? 1 +52578 C C9 A LHG CX . 0.2544 0.8297 0.8988 -0.0143 -0.0240 0.0614 101 LHG L C9 ? ? 1 +52579 C C9 B LHG CX . 0.2739 0.8488 0.9179 -0.0140 -0.0241 0.0614 101 LHG L C9 ? ? 1 +52580 C C10 A LHG CX . 0.2554 0.8347 0.9036 -0.0110 -0.0272 0.0597 101 LHG L C10 ? ? 1 +52581 C C10 B LHG CX . 0.2773 0.8564 0.9252 -0.0107 -0.0274 0.0597 101 LHG L C10 ? ? 1 +52582 O O8 A LHG CX . 0.2363 0.8257 0.8818 -0.0012 -0.0360 0.0588 101 LHG L O8 ? ? 1 +52583 O O8 B LHG CX . 0.2480 0.8373 0.8933 -0.0013 -0.0359 0.0589 101 LHG L O8 ? ? 1 +52584 C C23 A LHG CX . 0.2386 0.8315 0.8848 -0.0032 -0.0354 0.0589 101 LHG L C23 ? ? 1 +52585 C C23 B LHG CX . 0.2536 0.8470 0.9001 -0.0032 -0.0356 0.0588 101 LHG L C23 ? ? 1 +52586 O O10 A LHG CX . 0.2407 0.8297 0.8805 -0.0018 -0.0357 0.0601 101 LHG L O10 ? ? 1 +52587 O O10 B LHG CX . 0.2525 0.8427 0.8930 -0.0017 -0.0361 0.0598 101 LHG L O10 ? ? 1 +52588 C C24 A LHG CX . 0.2334 0.8348 0.8886 -0.0070 -0.0344 0.0572 101 LHG L C24 ? ? 1 +52589 C C24 B LHG CX . 0.2533 0.8553 0.9089 -0.0069 -0.0345 0.0571 101 LHG L C24 ? ? 1 +52590 C C11 A LHG CX . 0.2486 0.8390 0.9059 -0.0122 -0.0285 0.0576 101 LHG L C11 ? ? 1 +52591 C C11 B LHG CX . 0.2742 0.8642 0.9313 -0.0122 -0.0285 0.0576 101 LHG L C11 ? ? 1 +52592 C C12 A LHG CX . 0.2480 0.8426 0.9096 -0.0096 -0.0310 0.0558 101 LHG L C12 ? ? 1 +52593 C C12 B LHG CX . 0.2757 0.8701 0.9369 -0.0092 -0.0312 0.0559 101 LHG L C12 ? ? 1 +52594 C C13 A LHG CX . 0.2412 0.8462 0.9105 -0.0102 -0.0325 0.0539 101 LHG L C13 ? ? 1 +52595 C C13 B LHG CX . 0.2727 0.8774 0.9413 -0.0097 -0.0327 0.0540 101 LHG L C13 ? ? 1 +52596 C C14 A LHG CX . 0.2427 0.8518 0.9142 -0.0061 -0.0356 0.0526 101 LHG L C14 ? ? 1 +52597 C C14 B LHG CX . 0.2761 0.8852 0.9476 -0.0059 -0.0357 0.0525 101 LHG L C14 ? ? 1 +52598 C C15 A LHG CX . 0.2395 0.8528 0.9168 -0.0061 -0.0358 0.0507 101 LHG L C15 ? ? 1 +52599 C C15 B LHG CX . 0.2717 0.8865 0.9502 -0.0071 -0.0356 0.0506 101 LHG L C15 ? ? 1 +52600 C C16 A LHG CX . 0.2332 0.8559 0.9171 -0.0054 -0.0376 0.0488 101 LHG L C16 ? ? 1 +52601 C C16 B LHG CX . 0.2687 0.8924 0.9531 -0.0058 -0.0377 0.0487 101 LHG L C16 ? ? 1 +52602 C C17 A LHG CX . 0.2289 0.8556 0.9183 -0.0060 -0.0372 0.0470 101 LHG L C17 ? ? 1 +52603 C C17 B LHG CX . 0.2666 0.8945 0.9564 -0.0054 -0.0378 0.0469 101 LHG L C17 ? ? 1 +52604 C C18 A LHG CX . 0.2179 0.8512 0.9129 -0.0095 -0.0362 0.0459 101 LHG L C18 ? ? 1 +52605 C C18 B LHG CX . 0.2547 0.8876 0.9497 -0.0092 -0.0362 0.0458 101 LHG L C18 ? ? 1 +52606 C C19 A LHG CX . 0.2113 0.8506 0.9121 -0.0088 -0.0367 0.0438 101 LHG L C19 ? ? 1 +52607 C C19 B LHG CX . 0.2474 0.8863 0.9481 -0.0085 -0.0367 0.0437 101 LHG L C19 ? ? 1 +52608 C C20 A LHG CX . 0.2094 0.8475 0.9116 -0.0109 -0.0348 0.0432 101 LHG L C20 ? ? 1 +52609 C C20 B LHG CX . 0.2445 0.8829 0.9470 -0.0108 -0.0348 0.0431 101 LHG L C20 ? ? 1 +52610 C C21 A LHG CX . 0.2083 0.8494 0.9139 -0.0091 -0.0350 0.0415 101 LHG L C21 ? ? 1 +52611 C C21 B LHG CX . 0.2436 0.8857 0.9500 -0.0092 -0.0349 0.0412 101 LHG L C21 ? ? 1 +52612 C C22 A LHG CX . 0.2063 0.8475 0.9136 -0.0116 -0.0332 0.0406 101 LHG L C22 ? ? 1 +52613 C C22 B LHG CX . 0.2439 0.8843 0.9508 -0.0113 -0.0331 0.0406 101 LHG L C22 ? ? 1 +52614 C C25 A LHG CX . 0.2377 0.8411 0.8933 -0.0101 -0.0324 0.0576 101 LHG L C25 ? ? 1 +52615 C C25 B LHG CX . 0.2631 0.8671 0.9192 -0.0101 -0.0325 0.0575 101 LHG L C25 ? ? 1 +52616 C C26 A LHG CX . 0.2375 0.8455 0.8999 -0.0144 -0.0300 0.0568 101 LHG L C26 ? ? 1 +52617 C C26 B LHG CX . 0.2688 0.8774 0.9317 -0.0144 -0.0301 0.0567 101 LHG L C26 ? ? 1 +52618 C C27 A LHG CX . 0.2375 0.8522 0.9040 -0.0163 -0.0299 0.0559 101 LHG L C27 ? ? 1 +52619 C C27 B LHG CX . 0.2733 0.8887 0.9406 -0.0164 -0.0299 0.0557 101 LHG L C27 ? ? 1 +52620 C C28 A LHG CX . 0.2462 0.8587 0.9105 -0.0191 -0.0267 0.0571 101 LHG L C28 ? ? 1 +52621 C C28 B LHG CX . 0.2860 0.8996 0.9517 -0.0194 -0.0267 0.0568 101 LHG L C28 ? ? 1 +52622 C C29 A LHG CX . 0.2454 0.8649 0.9158 -0.0217 -0.0259 0.0559 101 LHG L C29 ? ? 1 +52623 C C29 B LHG CX . 0.2917 0.9124 0.9629 -0.0216 -0.0263 0.0556 101 LHG L C29 ? ? 1 +52624 C C30 A LHG CX . 0.2547 0.8732 0.9223 -0.0231 -0.0237 0.0568 101 LHG L C30 ? ? 1 +52625 C C30 B LHG CX . 0.3087 0.9279 0.9770 -0.0231 -0.0239 0.0566 101 LHG L C30 ? ? 1 +52626 C C31 A LHG CX . 0.2533 0.8786 0.9269 -0.0253 -0.0231 0.0555 101 LHG L C31 ? ? 1 +52627 C C31 B LHG CX . 0.3132 0.9389 0.9872 -0.0254 -0.0231 0.0554 101 LHG L C31 ? ? 1 +52628 C C32 A LHG CX . 0.2593 0.8845 0.9305 -0.0261 -0.0211 0.0561 101 LHG L C32 ? ? 1 +52629 C C32 B LHG CX . 0.3228 0.9480 0.9941 -0.0261 -0.0212 0.0560 101 LHG L C32 ? ? 1 +52630 C C33 A LHG CX . 0.2575 0.8892 0.9347 -0.0279 -0.0208 0.0547 101 LHG L C33 ? ? 1 +52631 C C33 B LHG CX . 0.3258 0.9576 1.0023 -0.0273 -0.0213 0.0546 101 LHG L C33 ? ? 1 +52632 C C34 A LHG CX . 0.2656 0.8976 0.9412 -0.0287 -0.0185 0.0551 101 LHG L C34 ? ? 1 +52633 C C34 B LHG CX . 0.3386 0.9705 1.0142 -0.0288 -0.0185 0.0551 101 LHG L C34 ? ? 1 +52634 C C35 A LHG CX . 0.2674 0.9055 0.9492 -0.0305 -0.0179 0.0538 101 LHG L C35 ? ? 1 +52635 C C35 B LHG CX . 0.3480 0.9860 1.0300 -0.0306 -0.0179 0.0538 101 LHG L C35 ? ? 1 +52636 C C36 A LHG CX . 0.2778 0.9162 0.9591 -0.0317 -0.0148 0.0542 101 LHG L C36 ? ? 1 +52637 C C36 B LHG CX . 0.3666 1.0052 1.0484 -0.0319 -0.0148 0.0542 101 LHG L C36 ? ? 1 +52638 C C37 A LHG CX . 0.2795 0.9236 0.9675 -0.0335 -0.0141 0.0530 101 LHG L C37 ? ? 1 +52639 C C37 B LHG CX . 0.3766 1.0210 1.0652 -0.0336 -0.0141 0.0529 101 LHG L C37 ? ? 1 +52640 C C38 A LHG CX . 0.2843 0.9295 0.9730 -0.0348 -0.0107 0.0533 101 LHG L C38 ? ? 1 +52641 C C38 B LHG CX . 0.3845 1.0299 1.0738 -0.0349 -0.0108 0.0532 101 LHG L C38 ? ? 1 +52642 C CHA A PHO CY . 0.3456 0.8701 0.8482 -0.0375 -0.1010 -0.0378 414 PHO a CHA ? ? 1 +52643 C CHA B PHO CY . 0.3456 0.8708 0.8489 -0.0375 -0.1011 -0.0377 414 PHO a CHA ? ? 1 +52644 C CHB A PHO CY . 0.3529 0.8526 0.8481 -0.0434 -0.0857 -0.0378 414 PHO a CHB ? ? 1 +52645 C CHB B PHO CY . 0.3537 0.8538 0.8490 -0.0434 -0.0859 -0.0378 414 PHO a CHB ? ? 1 +52646 C CHC A PHO CY . 0.3129 0.8326 0.8305 -0.0359 -0.0711 -0.0216 414 PHO a CHC ? ? 1 +52647 C CHC B PHO CY . 0.3134 0.8332 0.8312 -0.0360 -0.0711 -0.0217 414 PHO a CHC ? ? 1 +52648 C CHD A PHO CY . 0.3068 0.8477 0.8297 -0.0307 -0.0843 -0.0209 414 PHO a CHD ? ? 1 +52649 C CHD B PHO CY . 0.3062 0.8478 0.8301 -0.0310 -0.0843 -0.0209 414 PHO a CHD ? ? 1 +52650 N NA A PHO CY . 0.3449 0.8592 0.8462 -0.0405 -0.0924 -0.0368 414 PHO a NA ? ? 1 +52651 N NA B PHO CY . 0.3454 0.8603 0.8473 -0.0405 -0.0925 -0.0367 414 PHO a NA ? ? 1 +52652 C C1A A PHO CY . 0.3504 0.8673 0.8498 -0.0403 -0.0988 -0.0397 414 PHO a C1A ? ? 1 +52653 C C1A B PHO CY . 0.3509 0.8684 0.8508 -0.0403 -0.0989 -0.0397 414 PHO a C1A ? ? 1 +52654 C C2A A PHO CY . 0.3624 0.8728 0.8560 -0.0435 -0.1029 -0.0452 414 PHO a C2A ? ? 1 +52655 C C2A B PHO CY . 0.3635 0.8744 0.8575 -0.0435 -0.1030 -0.0451 414 PHO a C2A ? ? 1 +52656 C C3A A PHO CY . 0.3670 0.8673 0.8547 -0.0440 -0.0974 -0.0446 414 PHO a C3A ? ? 1 +52657 C C3A B PHO CY . 0.3675 0.8685 0.8560 -0.0442 -0.0975 -0.0446 414 PHO a C3A ? ? 1 +52658 C C4A A PHO CY . 0.3542 0.8591 0.8494 -0.0427 -0.0914 -0.0395 414 PHO a C4A ? ? 1 +52659 C C4A B PHO CY . 0.3547 0.8602 0.8504 -0.0428 -0.0916 -0.0395 414 PHO a C4A ? ? 1 +52660 C CMA A PHO CY . 0.3798 0.8685 0.8515 -0.0395 -0.0960 -0.0448 414 PHO a CMA ? ? 1 +52661 C CMA B PHO CY . 0.3806 0.8696 0.8532 -0.0400 -0.0961 -0.0450 414 PHO a CMA ? ? 1 +52662 C CAA A PHO CY . 0.3585 0.8768 0.8638 -0.0496 -0.1074 -0.0490 414 PHO a CAA ? ? 1 +52663 C CAA B PHO CY . 0.3603 0.8793 0.8659 -0.0494 -0.1077 -0.0490 414 PHO a CAA ? ? 1 +52664 C CBA A PHO CY . 0.3712 0.8835 0.8710 -0.0531 -0.1120 -0.0549 414 PHO a CBA ? ? 1 +52665 C CBA B PHO CY . 0.3737 0.8867 0.8738 -0.0529 -0.1123 -0.0549 414 PHO a CBA ? ? 1 +52666 C CGA A PHO CY . 0.3676 0.8871 0.8797 -0.0599 -0.1151 -0.0587 414 PHO a CGA ? ? 1 +52667 C CGA B PHO CY . 0.3705 0.8906 0.8830 -0.0598 -0.1153 -0.0586 414 PHO a CGA ? ? 1 +52668 O O1A A PHO CY . 0.3561 0.8852 0.8810 -0.0623 -0.1141 -0.0573 414 PHO a O1A ? ? 1 +52669 O O1A B PHO CY . 0.3591 0.8886 0.8844 -0.0622 -0.1141 -0.0572 414 PHO a O1A ? ? 1 +52670 O O2A A PHO CY . 0.3789 0.8930 0.8861 -0.0631 -0.1191 -0.0640 414 PHO a O2A ? ? 1 +52671 O O2A B PHO CY . 0.3832 0.8978 0.8906 -0.0629 -0.1194 -0.0640 414 PHO a O2A ? ? 1 +52672 N NB A PHO CY . 0.3320 0.8435 0.8389 -0.0392 -0.0792 -0.0295 414 PHO a NB ? ? 1 +52673 N NB B PHO CY . 0.3325 0.8442 0.8397 -0.0393 -0.0793 -0.0295 414 PHO a NB ? ? 1 +52674 C C1B A PHO CY . 0.3427 0.8455 0.8432 -0.0418 -0.0804 -0.0333 414 PHO a C1B ? ? 1 +52675 C C1B B PHO CY . 0.3435 0.8464 0.8440 -0.0417 -0.0804 -0.0333 414 PHO a C1B ? ? 1 +52676 C C2B A PHO CY . 0.3421 0.8394 0.8424 -0.0423 -0.0751 -0.0319 414 PHO a C2B ? ? 1 +52677 C C2B B PHO CY . 0.3434 0.8405 0.8432 -0.0422 -0.0752 -0.0319 414 PHO a C2B ? ? 1 +52678 C C3B A PHO CY . 0.3305 0.8339 0.8373 -0.0400 -0.0711 -0.0272 414 PHO a C3B ? ? 1 +52679 C C3B B PHO CY . 0.3317 0.8347 0.8380 -0.0398 -0.0710 -0.0272 414 PHO a C3B ? ? 1 +52680 C C4B A PHO CY . 0.3243 0.8365 0.8353 -0.0383 -0.0737 -0.0259 414 PHO a C4B ? ? 1 +52681 C C4B B PHO CY . 0.3249 0.8371 0.8360 -0.0384 -0.0736 -0.0259 414 PHO a C4B ? ? 1 +52682 C CMB A PHO CY . 0.3530 0.8396 0.8467 -0.0448 -0.0744 -0.0349 414 PHO a CMB ? ? 1 +52683 C CMB B PHO CY . 0.3553 0.8413 0.8479 -0.0445 -0.0745 -0.0350 414 PHO a CMB ? ? 1 +52684 C CAB A PHO CY . 0.3258 0.8269 0.8347 -0.0394 -0.0655 -0.0245 414 PHO a CAB ? ? 1 +52685 C CAB B PHO CY . 0.3268 0.8276 0.8351 -0.0390 -0.0653 -0.0243 414 PHO a CAB ? ? 1 +52686 C CBB A PHO CY . 0.3319 0.8246 0.8370 -0.0410 -0.0634 -0.0257 414 PHO a CBB ? ? 1 +52687 C CBB B PHO CY . 0.3317 0.8248 0.8373 -0.0408 -0.0631 -0.0254 414 PHO a CBB ? ? 1 +52688 N NC A PHO CY . 0.3114 0.8414 0.8313 -0.0344 -0.0789 -0.0226 414 PHO a NC ? ? 1 +52689 N NC B PHO CY . 0.3108 0.8414 0.8316 -0.0348 -0.0790 -0.0226 414 PHO a NC ? ? 1 +52690 C C1C A PHO CY . 0.3076 0.8349 0.8286 -0.0340 -0.0733 -0.0201 414 PHO a C1C ? ? 1 +52691 C C1C B PHO CY . 0.3074 0.8351 0.8289 -0.0342 -0.0733 -0.0201 414 PHO a C1C ? ? 1 +52692 C C2C A PHO CY . 0.2972 0.8303 0.8228 -0.0311 -0.0699 -0.0155 414 PHO a C2C ? ? 1 +52693 C C2C B PHO CY . 0.2970 0.8302 0.8228 -0.0311 -0.0698 -0.0155 414 PHO a C2C ? ? 1 +52694 C C3C A PHO CY . 0.2956 0.8344 0.8227 -0.0298 -0.0734 -0.0152 414 PHO a C3C ? ? 1 +52695 C C3C B PHO CY . 0.2952 0.8343 0.8229 -0.0300 -0.0734 -0.0152 414 PHO a C3C ? ? 1 +52696 C C4C A PHO CY . 0.3044 0.8413 0.8279 -0.0317 -0.0792 -0.0196 414 PHO a C4C ? ? 1 +52697 C C4C B PHO CY . 0.3038 0.8413 0.8282 -0.0320 -0.0792 -0.0196 414 PHO a C4C ? ? 1 +52698 C CMC A PHO CY . 0.2900 0.8226 0.8181 -0.0296 -0.0639 -0.0121 414 PHO a CMC ? ? 1 +52699 C CMC B PHO CY . 0.2901 0.8223 0.8177 -0.0294 -0.0638 -0.0120 414 PHO a CMC ? ? 1 +52700 C CAC A PHO CY . 0.2873 0.8325 0.8184 -0.0268 -0.0718 -0.0113 414 PHO a CAC ? ? 1 +52701 C CAC B PHO CY . 0.2869 0.8325 0.8186 -0.0270 -0.0718 -0.0113 414 PHO a CAC ? ? 1 +52702 C CBC A PHO CY . 0.2789 0.8341 0.8212 -0.0292 -0.0751 -0.0114 414 PHO a CBC ? ? 1 +52703 C CBC B PHO CY . 0.2778 0.8335 0.8213 -0.0295 -0.0747 -0.0113 414 PHO a CBC ? ? 1 +52704 N ND A PHO CY . 0.3254 0.8568 0.8385 -0.0345 -0.0908 -0.0288 414 PHO a ND ? ? 1 +52705 N ND B PHO CY . 0.3252 0.8573 0.8391 -0.0347 -0.0909 -0.0288 414 PHO a ND ? ? 1 +52706 C C1D A PHO CY . 0.3169 0.8553 0.8346 -0.0317 -0.0900 -0.0251 414 PHO a C1D ? ? 1 +52707 C C1D B PHO CY . 0.3166 0.8557 0.8353 -0.0320 -0.0900 -0.0251 414 PHO a C1D ? ? 1 +52708 C C2D A PHO CY . 0.3210 0.8624 0.8365 -0.0301 -0.0958 -0.0267 414 PHO a C2D ? ? 1 +52709 C C2D B PHO CY . 0.3205 0.8628 0.8371 -0.0303 -0.0958 -0.0266 414 PHO a C2D ? ? 1 +52710 C C3D A PHO CY . 0.3321 0.8687 0.8419 -0.0321 -0.1004 -0.0317 414 PHO a C3D ? ? 1 +52711 C C3D B PHO CY . 0.3316 0.8690 0.8424 -0.0323 -0.1005 -0.0316 414 PHO a C3D ? ? 1 +52712 C C4D A PHO CY . 0.3343 0.8648 0.8429 -0.0350 -0.0970 -0.0327 414 PHO a C4D ? ? 1 +52713 C C4D B PHO CY . 0.3341 0.8653 0.8435 -0.0351 -0.0971 -0.0327 414 PHO a C4D ? ? 1 +52714 C CMD A PHO CY . 0.3148 0.8628 0.8331 -0.0268 -0.0969 -0.0238 414 PHO a CMD ? ? 1 +52715 C CMD B PHO CY . 0.3139 0.8628 0.8335 -0.0271 -0.0969 -0.0237 414 PHO a CMD ? ? 1 +52716 C CAD A PHO CY . 0.3425 0.8779 0.8471 -0.0324 -0.1075 -0.0361 414 PHO a CAD ? ? 1 +52717 C CAD B PHO CY . 0.3422 0.8785 0.8478 -0.0325 -0.1075 -0.0360 414 PHO a CAD ? ? 1 +52718 O OBD A PHO CY . 0.3452 0.8843 0.8486 -0.0300 -0.1122 -0.0367 414 PHO a OBD ? ? 1 +52719 O OBD B PHO CY . 0.3450 0.8852 0.8497 -0.0302 -0.1123 -0.0366 414 PHO a OBD ? ? 1 +52720 C CBD A PHO CY . 0.3518 0.8795 0.8518 -0.0360 -0.1081 -0.0403 414 PHO a CBD ? ? 1 +52721 C CBD B PHO CY . 0.3517 0.8799 0.8520 -0.0359 -0.1081 -0.0402 414 PHO a CBD ? ? 1 +52722 C CGD A PHO CY . 0.3670 0.8843 0.8511 -0.0326 -0.1098 -0.0420 414 PHO a CGD ? ? 1 +52723 C CGD B PHO CY . 0.3668 0.8846 0.8510 -0.0322 -0.1097 -0.0416 414 PHO a CGD ? ? 1 +52724 O O1D A PHO CY . 0.3760 0.8917 0.8552 -0.0330 -0.1157 -0.0460 414 PHO a O1D ? ? 1 +52725 O O1D B PHO CY . 0.3752 0.8915 0.8544 -0.0324 -0.1156 -0.0455 414 PHO a O1D ? ? 1 +52726 O O2D A PHO CY . 0.3699 0.8798 0.8458 -0.0291 -0.1038 -0.0386 414 PHO a O2D ? ? 1 +52727 O O2D B PHO CY . 0.3697 0.8804 0.8462 -0.0288 -0.1036 -0.0382 414 PHO a O2D ? ? 1 +52728 C CED A PHO CY . 0.3843 0.8836 0.8443 -0.0255 -0.1044 -0.0399 414 PHO a CED ? ? 1 +52729 C CED B PHO CY . 0.3838 0.8837 0.8443 -0.0251 -0.1039 -0.0392 414 PHO a CED ? ? 1 +52730 C C1 A PHO CY . 0.3764 0.8969 0.8951 -0.0701 -0.1221 -0.0682 414 PHO a C1 ? ? 1 +52731 C C1 B PHO CY . 0.3800 0.9007 0.8986 -0.0700 -0.1224 -0.0683 414 PHO a C1 ? ? 1 +52732 C C2 A PHO CY . 0.3775 0.8908 0.8968 -0.0750 -0.1172 -0.0687 414 PHO a C2 ? ? 1 +52733 C C2 B PHO CY . 0.3799 0.8937 0.8994 -0.0747 -0.1172 -0.0685 414 PHO a C2 ? ? 1 +52734 C C3 A PHO CY . 0.3675 0.8863 0.8986 -0.0793 -0.1137 -0.0675 414 PHO a C3 ? ? 1 +52735 C C3 B PHO CY . 0.3701 0.8896 0.9018 -0.0795 -0.1143 -0.0679 414 PHO a C3 ? ? 1 +52736 C C4 A PHO CY . 0.3537 0.8872 0.8995 -0.0802 -0.1149 -0.0662 414 PHO a C4 ? ? 1 +52737 C C4 B PHO CY . 0.3573 0.8919 0.9043 -0.0813 -0.1162 -0.0675 414 PHO a C4 ? ? 1 +52738 C C5 A PHO CY . 0.3700 0.8800 0.8997 -0.0831 -0.1081 -0.0672 414 PHO a C5 ? ? 1 +52739 C C5 B PHO CY . 0.3724 0.8831 0.9028 -0.0834 -0.1085 -0.0675 414 PHO a C5 ? ? 1 +52740 C C6 A PHO CY . 0.3582 0.8699 0.8924 -0.0813 -0.1015 -0.0616 414 PHO a C6 ? ? 1 +52741 C C6 B PHO CY . 0.3607 0.8731 0.8955 -0.0815 -0.1019 -0.0618 414 PHO a C6 ? ? 1 +52742 C C7 A PHO CY . 0.3594 0.8646 0.8953 -0.0862 -0.0965 -0.0616 414 PHO a C7 ? ? 1 +52743 C C7 B PHO CY . 0.3623 0.8673 0.8976 -0.0859 -0.0966 -0.0616 414 PHO a C7 ? ? 1 +52744 C C8 A PHO CY . 0.3490 0.8545 0.8875 -0.0837 -0.0900 -0.0559 414 PHO a C8 ? ? 1 +52745 C C8 B PHO CY . 0.3514 0.8571 0.8898 -0.0835 -0.0902 -0.0559 414 PHO a C8 ? ? 1 +52746 C C9 A PHO CY . 0.3344 0.8540 0.8853 -0.0828 -0.0904 -0.0532 414 PHO a C9 ? ? 1 +52747 C C9 B PHO CY . 0.3368 0.8567 0.8877 -0.0828 -0.0907 -0.0534 414 PHO a C9 ? ? 1 +52748 C C10 A PHO CY . 0.3516 0.8498 0.8909 -0.0885 -0.0853 -0.0561 414 PHO a C10 ? ? 1 +52749 C C10 B PHO CY . 0.3537 0.8520 0.8928 -0.0881 -0.0853 -0.0559 414 PHO a C10 ? ? 1 +52750 C C11 A PHO CY . 0.3665 0.8500 0.8935 -0.0896 -0.0846 -0.0587 414 PHO a C11 ? ? 1 +52751 C C11 B PHO CY . 0.3684 0.8520 0.8954 -0.0894 -0.0845 -0.0586 414 PHO a C11 ? ? 1 +52752 C C12 A PHO CY . 0.3703 0.8444 0.8847 -0.0827 -0.0818 -0.0558 414 PHO a C12 ? ? 1 +52753 C C12 B PHO CY . 0.3726 0.8467 0.8867 -0.0825 -0.0820 -0.0559 414 PHO a C12 ? ? 1 +52754 C C13 A PHO CY . 0.3855 0.8442 0.8873 -0.0834 -0.0807 -0.0584 414 PHO a C13 ? ? 1 +52755 C C13 B PHO CY . 0.3878 0.8465 0.8895 -0.0835 -0.0808 -0.0584 414 PHO a C13 ? ? 1 +52756 C C14 A PHO CY . 0.3969 0.8531 0.8937 -0.0856 -0.0867 -0.0639 414 PHO a C14 ? ? 1 +52757 C C14 B PHO CY . 0.3994 0.8554 0.8961 -0.0859 -0.0867 -0.0640 414 PHO a C14 ? ? 1 +52758 C C15 A PHO CY . 0.3878 0.8379 0.8786 -0.0763 -0.0766 -0.0547 414 PHO a C15 ? ? 1 +52759 C C15 B PHO CY . 0.3904 0.8404 0.8811 -0.0764 -0.0767 -0.0549 414 PHO a C15 ? ? 1 +52760 C C16 A PHO CY . 0.3805 0.8295 0.8740 -0.0747 -0.0705 -0.0501 414 PHO a C16 ? ? 1 +52761 C C16 B PHO CY . 0.3834 0.8319 0.8766 -0.0748 -0.0706 -0.0503 414 PHO a C16 ? ? 1 +52762 C C17 A PHO CY . 0.3835 0.8248 0.8669 -0.0676 -0.0667 -0.0469 414 PHO a C17 ? ? 1 +52763 C C17 B PHO CY . 0.3862 0.8274 0.8694 -0.0675 -0.0669 -0.0471 414 PHO a C17 ? ? 1 +52764 C C18 A PHO CY . 0.3789 0.8171 0.8636 -0.0660 -0.0609 -0.0430 414 PHO a C18 ? ? 1 +52765 C C18 B PHO CY . 0.3820 0.8198 0.8662 -0.0659 -0.0610 -0.0431 414 PHO a C18 ? ? 1 +52766 C C19 A PHO CY . 0.3834 0.8137 0.8578 -0.0589 -0.0575 -0.0406 414 PHO a C19 ? ? 1 +52767 C C19 B PHO CY . 0.3867 0.8167 0.8604 -0.0587 -0.0577 -0.0408 414 PHO a C19 ? ? 1 +52768 C C20 A PHO CY . 0.3626 0.8138 0.8601 -0.0661 -0.0599 -0.0394 414 PHO a C20 ? ? 1 +52769 C C20 B PHO CY . 0.3660 0.8166 0.8628 -0.0659 -0.0598 -0.0395 414 PHO a C20 ? ? 1 +52770 C C1 . HTG CZ . 0.6955 1.4011 1.4634 -0.0722 0.0171 0.0118 622 HTG b C1 ? ? 1 +52771 S S1 . HTG CZ . 0.6155 1.3351 1.3977 -0.0720 0.0174 0.0083 622 HTG b S1 ? ? 1 +52772 C C2 . HTG CZ . 0.6614 1.3625 1.4265 -0.0764 0.0180 0.0116 622 HTG b C2 ? ? 1 +52773 O O2 . HTG CZ . 0.5601 1.2656 1.3294 -0.0763 0.0134 0.0106 622 HTG b O2 ? ? 1 +52774 C C3 . HTG CZ . 0.6834 1.3725 1.4362 -0.0760 0.0183 0.0145 622 HTG b C3 ? ? 1 +52775 O O3 . HTG CZ . 0.6390 1.3232 1.3887 -0.0802 0.0203 0.0141 622 HTG b O3 ? ? 1 +52776 C C4 . HTG CZ . 0.7253 1.4084 1.4714 -0.0748 0.0219 0.0160 622 HTG b C4 ? ? 1 +52777 O O4 . HTG CZ . 0.7186 1.3919 1.4540 -0.0732 0.0205 0.0187 622 HTG b O4 ? ? 1 +52778 C C5 . HTG CZ . 0.7524 1.4413 1.5027 -0.0710 0.0209 0.0158 622 HTG b C5 ? ? 1 +52779 O O5 . HTG CZ . 0.7604 1.4600 1.5221 -0.0719 0.0212 0.0130 622 HTG b O5 ? ? 1 +52780 C C6 . HTG CZ . 0.7905 1.4743 1.5353 -0.0704 0.0250 0.0167 622 HTG b C6 ? ? 1 +52781 O O6 . HTG CZ . 0.7858 1.4746 1.5343 -0.0668 0.0239 0.0163 622 HTG b O6 ? ? 1 +52782 C C1' . HTG CZ . 0.5913 1.3133 1.3736 -0.0655 0.0129 0.0095 622 HTG b C1' ? ? 1 +52783 C C2' . HTG CZ . 0.5780 1.3024 1.3616 -0.0631 0.0069 0.0098 622 HTG b C2' ? ? 1 +52784 C C3' . HTG CZ . 0.5769 1.3122 1.3709 -0.0613 0.0043 0.0074 622 HTG b C3' ? ? 1 +52785 C C4' . HTG CZ . 0.5676 1.3036 1.3607 -0.0568 -0.0013 0.0085 622 HTG b C4' ? ? 1 +52786 C C5' . HTG CZ . 0.5708 1.3119 1.3685 -0.0570 -0.0056 0.0071 622 HTG b C5' ? ? 1 +52787 C C6' . HTG CZ . 0.5904 1.3423 1.3984 -0.0552 -0.0074 0.0043 622 HTG b C6' ? ? 1 +52788 C C7' . HTG CZ . 0.5990 1.3559 1.4113 -0.0557 -0.0118 0.0026 622 HTG b C7' ? ? 1 +52789 C C1A . DGD DA . 0.6519 0.9472 1.0004 -0.0103 -0.0277 -0.0453 519 DGD c C1A ? ? 1 +52790 C C2A . DGD DA . 0.6548 0.9674 1.0172 -0.0130 -0.0296 -0.0430 519 DGD c C2A ? ? 1 +52791 C C3A . DGD DA . 0.6723 0.9924 1.0339 -0.0085 -0.0299 -0.0425 519 DGD c C3A ? ? 1 +52792 C C4A . DGD DA . 0.6805 1.0151 1.0530 -0.0128 -0.0334 -0.0418 519 DGD c C4A ? ? 1 +52793 C C5A . DGD DA . 0.6934 1.0369 1.0668 -0.0074 -0.0325 -0.0398 519 DGD c C5A ? ? 1 +52794 C C6A . DGD DA . 0.6907 1.0490 1.0757 -0.0109 -0.0355 -0.0384 519 DGD c C6A ? ? 1 +52795 C C7A . DGD DA . 0.6935 1.0618 1.0823 -0.0052 -0.0329 -0.0349 519 DGD c C7A ? ? 1 +52796 C C8A . DGD DA . 0.6926 1.0749 1.0926 -0.0084 -0.0357 -0.0333 519 DGD c C8A ? ? 1 +52797 C C9A . DGD DA . 0.7065 1.0957 1.1060 -0.0036 -0.0344 -0.0312 519 DGD c C9A ? ? 1 +52798 C CAA . DGD DA . 0.7161 1.1195 1.1276 -0.0060 -0.0364 -0.0289 519 DGD c CAA ? ? 1 +52799 C CBA . DGD DA . 0.7434 1.1483 1.1564 -0.0120 -0.0423 -0.0318 519 DGD c CBA ? ? 1 +52800 C CCA . DGD DA . 0.7494 1.1673 1.1712 -0.0129 -0.0444 -0.0298 519 DGD c CCA ? ? 1 +52801 C CDA . DGD DA . 0.7582 1.1766 1.1782 -0.0169 -0.0504 -0.0332 519 DGD c CDA ? ? 1 +52802 C CEA . DGD DA . 0.7593 1.1845 1.1788 -0.0141 -0.0517 -0.0318 519 DGD c CEA ? ? 1 +52803 C CFA . DGD DA . 0.7760 1.2034 1.1953 -0.0181 -0.0583 -0.0350 519 DGD c CFA ? ? 1 +52804 C CGA . DGD DA . 0.7709 1.1941 1.1786 -0.0146 -0.0603 -0.0364 519 DGD c CGA ? ? 1 +52805 O O1A . DGD DA . 0.6681 0.9530 1.0093 -0.0148 -0.0300 -0.0492 519 DGD c O1A ? ? 1 +52806 C C1B . DGD DA . 0.6423 0.9247 0.9697 0.0210 -0.0128 -0.0402 519 DGD c C1B ? ? 1 +52807 C C2B . DGD DA . 0.6735 0.9536 0.9923 0.0254 -0.0120 -0.0419 519 DGD c C2B ? ? 1 +52808 C C3B . DGD DA . 0.6877 0.9796 1.0124 0.0321 -0.0085 -0.0388 519 DGD c C3B ? ? 1 +52809 C C4B . DGD DA . 0.6962 1.0052 1.0343 0.0290 -0.0101 -0.0361 519 DGD c C4B ? ? 1 +52810 C C5B . DGD DA . 0.7264 1.0377 1.0639 0.0229 -0.0146 -0.0383 519 DGD c C5B ? ? 1 +52811 C C6B . DGD DA . 0.7526 1.0807 1.1016 0.0230 -0.0146 -0.0352 519 DGD c C6B ? ? 1 +52812 C C7B . DGD DA . 0.8058 1.1392 1.1565 0.0176 -0.0191 -0.0366 519 DGD c C7B ? ? 1 +52813 C C8B . DGD DA . 0.8543 1.2036 1.2161 0.0188 -0.0182 -0.0330 519 DGD c C8B ? ? 1 +52814 C C9B . DGD DA . 0.9227 1.2776 1.2848 0.0156 -0.0220 -0.0339 519 DGD c C9B ? ? 1 +52815 C CAB . DGD DA . 0.9651 1.3318 1.3329 0.0192 -0.0195 -0.0306 519 DGD c CAB ? ? 1 +52816 C CBB . DGD DA . 1.0234 1.3916 1.3862 0.0182 -0.0224 -0.0319 519 DGD c CBB ? ? 1 +52817 C CCB . DGD DA . 1.0662 1.4410 1.4293 0.0236 -0.0184 -0.0292 519 DGD c CCB ? ? 1 +52818 C CDB . DGD DA . 1.1208 1.4929 1.4743 0.0241 -0.0203 -0.0309 519 DGD c CDB ? ? 1 +52819 C CEB . DGD DA . 1.1742 1.5397 1.5166 0.0306 -0.0155 -0.0312 519 DGD c CEB ? ? 1 +52820 C CFB . DGD DA . 1.2123 1.5772 1.5463 0.0320 -0.0163 -0.0317 519 DGD c CFB ? ? 1 +52821 C CGB . DGD DA . 1.2363 1.5921 1.5597 0.0288 -0.0221 -0.0359 519 DGD c CGB ? ? 1 +52822 O O1B . DGD DA . 0.6151 0.9044 0.9505 0.0238 -0.0106 -0.0368 519 DGD c O1B ? ? 1 +52823 O O1G . DGD DA . 0.6255 0.9169 0.9694 -0.0021 -0.0233 -0.0431 519 DGD c O1G ? ? 1 +52824 C C1G . DGD DA . 0.6265 0.9033 0.9619 -0.0007 -0.0210 -0.0438 519 DGD c C1G ? ? 1 +52825 C C2G . DGD DA . 0.6215 0.8980 0.9543 0.0086 -0.0167 -0.0413 519 DGD c C2G ? ? 1 +52826 O O2G . DGD DA . 0.6409 0.9168 0.9668 0.0128 -0.0165 -0.0428 519 DGD c O2G ? ? 1 +52827 C C3G . DGD DA . 0.6222 0.8829 0.9456 0.0113 -0.0142 -0.0419 519 DGD c C3G ? ? 1 +52828 O O3G . DGD DA . 0.6025 0.8623 0.9313 0.0059 -0.0148 -0.0408 519 DGD c O3G ? ? 1 +52829 C C1D . DGD DA . 0.6030 0.8481 0.9233 0.0083 -0.0125 -0.0409 519 DGD c C1D ? ? 1 +52830 C C2D . DGD DA . 0.5960 0.8391 0.9209 0.0005 -0.0138 -0.0407 519 DGD c C2D ? ? 1 +52831 O O2D . DGD DA . 0.6030 0.8416 0.9245 -0.0068 -0.0169 -0.0446 519 DGD c O2D ? ? 1 +52832 C C3D . DGD DA . 0.6062 0.8337 0.9226 0.0023 -0.0113 -0.0403 519 DGD c C3D ? ? 1 +52833 O O3D . DGD DA . 0.6030 0.8301 0.9247 -0.0052 -0.0121 -0.0397 519 DGD c O3D ? ? 1 +52834 C C4D . DGD DA . 0.6003 0.8309 0.9179 0.0117 -0.0081 -0.0368 519 DGD c C4D ? ? 1 +52835 O O4D . DGD DA . 0.5807 0.8274 0.9125 0.0107 -0.0083 -0.0332 519 DGD c O4D ? ? 1 +52836 C C5D . DGD DA . 0.6009 0.8347 0.9149 0.0191 -0.0070 -0.0374 519 DGD c C5D ? ? 1 +52837 O O5D . DGD DA . 0.5959 0.8250 0.9086 0.0311 -0.0022 -0.0327 519 DGD c O5D ? ? 1 +52838 C C6D . DGD DA . 0.5929 0.8318 0.9094 0.0287 -0.0038 -0.0342 519 DGD c C6D ? ? 1 +52839 O O6D . DGD DA . 0.5937 0.8422 0.9163 0.0164 -0.0092 -0.0375 519 DGD c O6D ? ? 1 +52840 C C1E . DGD DA . 0.6011 0.8238 0.9067 0.0407 0.0007 -0.0322 519 DGD c C1E ? ? 1 +52841 C C2E . DGD DA . 0.6078 0.8198 0.9095 0.0420 0.0018 -0.0306 519 DGD c C2E ? ? 1 +52842 O O2E . DGD DA . 0.5924 0.8157 0.9061 0.0387 0.0010 -0.0275 519 DGD c O2E ? ? 1 +52843 C C3E . DGD DA . 0.6253 0.8178 0.9148 0.0364 0.0012 -0.0335 519 DGD c C3E ? ? 1 +52844 O O3E . DGD DA . 0.6335 0.8150 0.9182 0.0382 0.0025 -0.0318 519 DGD c O3E ? ? 1 +52845 C C4E . DGD DA . 0.6417 0.8220 0.9181 0.0398 0.0019 -0.0370 519 DGD c C4E ? ? 1 +52846 O O4E . DGD DA . 0.6493 0.8258 0.9207 0.0503 0.0046 -0.0359 519 DGD c O4E ? ? 1 +52847 C C5E . DGD DA . 0.6335 0.8254 0.9144 0.0383 0.0004 -0.0386 519 DGD c C5E ? ? 1 +52848 O O6E . DGD DA . 0.6159 0.8262 0.9086 0.0431 0.0013 -0.0357 519 DGD c O6E ? ? 1 +52849 C C6E . DGD DA . 0.6500 0.8299 0.9176 0.0420 0.0012 -0.0422 519 DGD c C6E ? ? 1 +52850 O O5E . DGD DA . 0.6409 0.8344 0.9140 0.0437 0.0009 -0.0424 519 DGD c O5E ? ? 1 +52851 O O6 . SQD DB . 1.5083 2.0323 1.9562 -0.0836 -0.2801 -0.1817 102 SQD f O6 ? ? 1 +52852 C C44 . SQD DB . 1.4546 1.9893 1.9206 -0.0869 -0.2726 -0.1771 102 SQD f C44 ? ? 1 +52853 C C45 . SQD DB . 1.4290 1.9592 1.9019 -0.0963 -0.2652 -0.1782 102 SQD f C45 ? ? 1 +52854 C C46 . SQD DB . 1.3403 1.8608 1.8074 -0.0943 -0.2531 -0.1700 102 SQD f C46 ? ? 1 +52855 O O47 . SQD DB . 1.4906 2.0090 1.9520 -0.1000 -0.2693 -0.1848 102 SQD f O47 ? ? 1 +52856 C C7 . SQD DB . 1.5132 2.0309 1.9831 -0.1100 -0.2680 -0.1898 102 SQD f C7 ? ? 1 +52857 O O49 . SQD DB . 1.5113 2.0190 1.9710 -0.1127 -0.2719 -0.1954 102 SQD f O49 ? ? 1 +52858 C C8 . SQD DB . 1.5017 2.0303 1.9929 -0.1177 -0.2616 -0.1886 102 SQD f C8 ? ? 1 +52859 C C9 . SQD DB . 1.4955 2.0242 1.9956 -0.1289 -0.2626 -0.1959 102 SQD f C9 ? ? 1 +52860 C C10 . SQD DB . 1.4469 1.9810 1.9636 -0.1365 -0.2537 -0.1935 102 SQD f C10 ? ? 1 +52861 C C11 . SQD DB . 1.4000 1.9423 1.9328 -0.1478 -0.2566 -0.2013 102 SQD f C11 ? ? 1 +52862 O O48 . SQD DB . 1.2790 1.8106 1.7658 -0.0999 -0.2470 -0.1676 102 SQD f O48 ? ? 1 +52863 C C23 . SQD DB . 1.2777 1.8006 1.7642 -0.1045 -0.2378 -0.1652 102 SQD f C23 ? ? 1 +52864 O O10 . SQD DB . 1.3159 1.8226 1.7869 -0.1041 -0.2344 -0.1647 102 SQD f O10 ? ? 1 +52865 C C24 . SQD DB . 1.2559 1.7913 1.7632 -0.1103 -0.2324 -0.1632 102 SQD f C24 ? ? 1 +52866 C C25 . SQD DB . 1.2606 1.7892 1.7657 -0.1090 -0.2211 -0.1554 102 SQD f C25 ? ? 1 +52867 C C26 . SQD DB . 1.2671 1.7998 1.7873 -0.1179 -0.2147 -0.1557 102 SQD f C26 ? ? 1 +52868 C C27 . SQD DB . 1.2823 1.8347 1.8246 -0.1211 -0.2164 -0.1564 102 SQD f C27 ? ? 1 +52869 C C28 . SQD DB . 1.3004 1.8596 1.8574 -0.1317 -0.2181 -0.1631 102 SQD f C28 ? ? 1 +52870 C C29 . SQD DB . 1.2803 1.8341 1.8424 -0.1386 -0.2084 -0.1609 102 SQD f C29 ? ? 1 +52871 C C30 . SQD DB . 1.2683 1.8302 1.8467 -0.1494 -0.2093 -0.1671 102 SQD f C30 ? ? 1 +52872 C C31 . SQD DB . 1.2518 1.8142 1.8403 -0.1551 -0.1996 -0.1636 102 SQD f C31 ? ? 1 +52873 C C32 . SQD DB . 1.2465 1.8138 1.8487 -0.1665 -0.1994 -0.1698 102 SQD f C32 ? ? 1 +52874 C C33 . SQD DB . 1.2282 1.7989 1.8425 -0.1718 -0.1903 -0.1662 102 SQD f C33 ? ? 1 +52875 C C34 . SQD DB . 1.2181 1.7719 1.8198 -0.1704 -0.1807 -0.1600 102 SQD f C34 ? ? 1 +52876 C C35 . SQD DB . 1.2244 1.7659 1.8235 -0.1795 -0.1760 -0.1631 102 SQD f C35 ? ? 1 +52877 C C36 . SQD DB . 1.2442 1.7694 1.8313 -0.1777 -0.1665 -0.1567 102 SQD f C36 ? ? 1 +52878 C C37 . SQD DB . 1.2382 1.7497 1.8053 -0.1685 -0.1665 -0.1529 102 SQD f C37 ? ? 1 +52879 C C38 . SQD DB . 1.2399 1.7331 1.7940 -0.1683 -0.1580 -0.1487 102 SQD f C38 ? ? 1 +52880 C C1 . SQD DB . 1.5549 2.0748 1.9882 -0.0733 -0.2828 -0.1778 102 SQD f C1 ? ? 1 +52881 C C2 . SQD DB . 1.6013 2.1104 2.0160 -0.0703 -0.2913 -0.1833 102 SQD f C2 ? ? 1 +52882 O O2 . SQD DB . 1.6610 2.1818 2.0865 -0.0743 -0.3023 -0.1917 102 SQD f O2 ? ? 1 +52883 C C3 . SQD DB . 1.5933 2.0955 1.9900 -0.0591 -0.2927 -0.1784 102 SQD f C3 ? ? 1 +52884 O O3 . SQD DB . 1.5399 2.0311 1.9179 -0.0559 -0.3006 -0.1833 102 SQD f O3 ? ? 1 +52885 C C4 . SQD DB . 1.5956 2.0865 1.9827 -0.0555 -0.2807 -0.1698 102 SQD f C4 ? ? 1 +52886 O O4 . SQD DB . 1.6791 2.1637 2.0500 -0.0454 -0.2814 -0.1650 102 SQD f O4 ? ? 1 +52887 C C5 . SQD DB . 1.5123 2.0150 1.9192 -0.0589 -0.2729 -0.1648 102 SQD f C5 ? ? 1 +52888 C C6 . SQD DB . 1.4197 1.9124 1.8195 -0.0564 -0.2608 -0.1567 102 SQD f C6 ? ? 1 +52889 O O5 . SQD DB . 1.5360 2.0451 1.9592 -0.0691 -0.2723 -0.1696 102 SQD f O5 ? ? 1 +52890 S S . SQD DB . 1.3235 1.8292 1.7456 -0.0605 -0.2521 -0.1513 102 SQD f S ? ? 1 +52891 O O7 . SQD DB . 1.2854 1.7962 1.7219 -0.0703 -0.2516 -0.1561 102 SQD f O7 ? ? 1 +52892 O O8 . SQD DB . 1.2776 1.7994 1.7110 -0.0568 -0.2584 -0.1509 102 SQD f O8 ? ? 1 +52893 O O9 . SQD DB . 1.3285 1.8246 1.7411 -0.0561 -0.2421 -0.1435 102 SQD f O9 ? ? 1 +52894 MG MG . CLA DC . 0.0750 0.8422 0.9400 -0.1070 0.0307 0.0145 603 CLA B MG ? ? 1 +52895 C CHA . CLA DC . 0.0586 0.8331 0.9203 -0.0924 0.0152 0.0134 603 CLA B CHA ? ? 1 +52896 C CHB . CLA DC . 0.0778 0.8339 0.9392 -0.1124 0.0214 0.0121 603 CLA B CHB ? ? 1 +52897 C CHC . CLA DC . 0.0967 0.8416 0.9492 -0.1191 0.0469 0.0197 603 CLA B CHC ? ? 1 +52898 C CHD . CLA DC . 0.0754 0.8418 0.9307 -0.0987 0.0401 0.0199 603 CLA B CHD ? ? 1 +52899 N NA . CLA DC . 0.0687 0.8349 0.9313 -0.1032 0.0204 0.0131 603 CLA B NA ? ? 1 +52900 C C1A . CLA DC . 0.0630 0.8333 0.9254 -0.0977 0.0151 0.0125 603 CLA B C1A ? ? 1 +52901 C C2A . CLA DC . 0.0621 0.8318 0.9241 -0.0968 0.0083 0.0108 603 CLA B C2A ? ? 1 +52902 C C3A . CLA DC . 0.0665 0.8332 0.9311 -0.1033 0.0100 0.0095 603 CLA B C3A ? ? 1 +52903 C C4A . CLA DC . 0.0709 0.8335 0.9336 -0.1066 0.0178 0.0118 603 CLA B C4A ? ? 1 +52904 C CMA . CLA DC . 0.0658 0.8447 0.9443 -0.1063 0.0077 0.0047 603 CLA B CMA ? ? 1 +52905 C CAA . CLA DC . 0.0636 0.8228 0.9127 -0.0924 0.0054 0.0140 603 CLA B CAA ? ? 1 +52906 C CBA . CLA DC . 0.0717 0.8187 0.9104 -0.0939 0.0100 0.0178 603 CLA B CBA ? ? 1 +52907 C CGA . CLA DC . 0.0805 0.8197 0.9158 -0.0979 0.0094 0.0177 603 CLA B CGA ? ? 1 +52908 O O1A . CLA DC . 0.0788 0.8183 0.9148 -0.0974 0.0044 0.0159 603 CLA B O1A ? ? 1 +52909 O O2A . CLA DC . 0.0968 0.8276 0.9277 -0.1022 0.0151 0.0197 603 CLA B O2A ? ? 1 +52910 N NB . CLA DC . 0.0846 0.8380 0.9431 -0.1143 0.0335 0.0157 603 CLA B NB ? ? 1 +52911 C C1B . CLA DC . 0.0848 0.8357 0.9436 -0.1163 0.0291 0.0142 603 CLA B C1B ? ? 1 +52912 C C2B . CLA DC . 0.0933 0.8341 0.9477 -0.1220 0.0325 0.0151 603 CLA B C2B ? ? 1 +52913 C C3B . CLA DC . 0.0991 0.8360 0.9503 -0.1238 0.0401 0.0175 603 CLA B C3B ? ? 1 +52914 C C4B . CLA DC . 0.0930 0.8388 0.9477 -0.1191 0.0401 0.0175 603 CLA B C4B ? ? 1 +52915 C CMB . CLA DC . 0.0954 0.8309 0.9481 -0.1245 0.0287 0.0138 603 CLA B CMB ? ? 1 +52916 C CAB . CLA DC . 0.1096 0.8363 0.9555 -0.1293 0.0468 0.0195 603 CLA B CAB ? ? 1 +52917 C CBB . CLA DC . 0.1157 0.8361 0.9608 -0.1344 0.0471 0.0187 603 CLA B CBB ? ? 1 +52918 N NC . CLA DC . 0.0832 0.8413 0.9392 -0.1084 0.0408 0.0189 603 CLA B NC ? ? 1 +52919 C C1C . CLA DC . 0.0917 0.8421 0.9442 -0.1136 0.0469 0.0204 603 CLA B C1C ? ? 1 +52920 C C2C . CLA DC . 0.0971 0.8427 0.9435 -0.1134 0.0536 0.0233 603 CLA B C2C ? ? 1 +52921 C C3C . CLA DC . 0.0906 0.8429 0.9381 -0.1074 0.0515 0.0232 603 CLA B C3C ? ? 1 +52922 C C4C . CLA DC . 0.0826 0.8424 0.9366 -0.1050 0.0439 0.0204 603 CLA B C4C ? ? 1 +52923 C CMC . CLA DC . 0.1077 0.8432 0.9473 -0.1179 0.0611 0.0258 603 CLA B CMC ? ? 1 +52924 C CAC . CLA DC . 0.0923 0.8436 0.9349 -0.1042 0.0560 0.0253 603 CLA B CAC ? ? 1 +52925 C CBC . CLA DC . 0.0923 0.8321 0.9202 -0.0994 0.0537 0.0290 603 CLA B CBC ? ? 1 +52926 N ND . CLA DC . 0.0684 0.8360 0.9262 -0.0977 0.0282 0.0169 603 CLA B ND ? ? 1 +52927 C C1D . CLA DC . 0.0685 0.8391 0.9262 -0.0952 0.0324 0.0181 603 CLA B C1D ? ? 1 +52928 C C2D . CLA DC . 0.0620 0.8368 0.9187 -0.0885 0.0280 0.0180 603 CLA B C2D ? ? 1 +52929 C C3D . CLA DC . 0.0581 0.8345 0.9169 -0.0877 0.0212 0.0161 603 CLA B C3D ? ? 1 +52930 C C4D . CLA DC . 0.0617 0.8355 0.9225 -0.0932 0.0218 0.0152 603 CLA B C4D ? ? 1 +52931 C CMD . CLA DC . 0.0599 0.8375 0.9148 -0.0834 0.0292 0.0189 603 CLA B CMD ? ? 1 +52932 C CAD . CLA DC . 0.0523 0.8322 0.9116 -0.0831 0.0139 0.0147 603 CLA B CAD ? ? 1 +52933 O OBD . CLA DC . 0.0489 0.8313 0.9065 -0.0775 0.0115 0.0150 603 CLA B OBD ? ? 1 +52934 C CBD . CLA DC . 0.0525 0.8311 0.9134 -0.0859 0.0099 0.0130 603 CLA B CBD ? ? 1 +52935 C CGD . CLA DC . 0.0491 0.8394 0.9207 -0.0846 0.0051 0.0090 603 CLA B CGD ? ? 1 +52936 O O1D . CLA DC . 0.0463 0.8366 0.9159 -0.0813 -0.0010 0.0082 603 CLA B O1D ? ? 1 +52937 O O2D . CLA DC . 0.0493 0.8520 0.9341 -0.0868 0.0073 0.0058 603 CLA B O2D ? ? 1 +52938 C CED . CLA DC . 0.0452 0.8590 0.9385 -0.0833 0.0020 0.0024 603 CLA B CED ? ? 1 +52939 C C1 . CLA DC . 0.1118 0.8345 0.9393 -0.1062 0.0151 0.0196 603 CLA B C1 ? ? 1 +52940 C C2 . CLA DC . 0.1289 0.8420 0.9499 -0.1093 0.0216 0.0225 603 CLA B C2 ? ? 1 +52941 C C3 . CLA DC . 0.1504 0.8545 0.9675 -0.1138 0.0237 0.0229 603 CLA B C3 ? ? 1 +52942 C C4 . CLA DC . 0.1495 0.8521 0.9683 -0.1160 0.0195 0.0206 603 CLA B C4 ? ? 1 +52943 C C5 . CLA DC . 0.1744 0.8688 0.9840 -0.1160 0.0303 0.0262 603 CLA B C5 ? ? 1 +52944 C C6 . CLA DC . 0.1997 0.8898 1.0116 -0.1232 0.0346 0.0252 603 CLA B C6 ? ? 1 +52945 C C7 . CLA DC . 0.2260 0.9097 1.0325 -0.1252 0.0421 0.0281 603 CLA B C7 ? ? 1 +52946 C C8 . CLA DC . 0.2544 0.9244 1.0530 -0.1297 0.0465 0.0299 603 CLA B C8 ? ? 1 +52947 C C9 . CLA DC . 0.2671 0.9349 1.0672 -0.1355 0.0546 0.0304 603 CLA B C9 ? ? 1 +52948 C C10 . CLA DC . 0.2730 0.9324 1.0632 -0.1289 0.0428 0.0307 603 CLA B C10 ? ? 1 +52949 C C11 . CLA DC . 0.2957 0.9442 1.0821 -0.1349 0.0467 0.0309 603 CLA B C11 ? ? 1 +52950 C C12 . CLA DC . 0.3088 0.9460 1.0843 -0.1315 0.0427 0.0326 603 CLA B C12 ? ? 1 +52951 C C13 . CLA DC . 0.3303 0.9554 1.1006 -0.1364 0.0452 0.0328 603 CLA B C13 ? ? 1 +52952 C C14 . CLA DC . 0.3437 0.9545 1.0990 -0.1318 0.0441 0.0365 603 CLA B C14 ? ? 1 +52953 C C15 . CLA DC . 0.3324 0.9628 1.1108 -0.1393 0.0408 0.0287 603 CLA B C15 ? ? 1 +52954 C C16 . CLA DC . 0.3545 0.9716 1.1263 -0.1433 0.0421 0.0288 603 CLA B C16 ? ? 1 +52955 C C17 . CLA DC . 0.3674 0.9913 1.1506 -0.1497 0.0414 0.0242 603 CLA B C17 ? ? 1 +52956 C C18 . CLA DC . 0.3932 1.0058 1.1729 -0.1559 0.0441 0.0234 603 CLA B C18 ? ? 1 +52957 C C19 . CLA DC . 0.3964 1.0035 1.1732 -0.1556 0.0388 0.0216 603 CLA B C19 ? ? 1 +52958 C C20 . CLA DC . 0.4125 1.0177 1.1899 -0.1618 0.0523 0.0250 603 CLA B C20 ? ? 1 +52959 C C1 . GOL DD . 0.4566 1.1873 1.2085 0.0229 -0.0088 0.0229 629 GOL B C1 ? ? 1 +52960 O O1 . GOL DD . 0.4942 1.2183 1.2392 0.0272 -0.0121 0.0228 629 GOL B O1 ? ? 1 +52961 C C2 . GOL DD . 0.4445 1.1877 1.2085 0.0243 -0.0080 0.0207 629 GOL B C2 ? ? 1 +52962 O O2 . GOL DD . 0.4240 1.1693 1.1891 0.0304 -0.0105 0.0190 629 GOL B O2 ? ? 1 +52963 C C3 . GOL DD . 0.4499 1.1984 1.2185 0.0229 -0.0025 0.0203 629 GOL B C3 ? ? 1 +52964 O O3 . GOL DD . 0.4544 1.2097 1.2286 0.0278 -0.0013 0.0182 629 GOL B O3 ? ? 1 +52965 CA CA . CA DE . 0.3260 1.1137 1.1908 0.2775 -0.0249 -0.0620 524 CA C CA ? ? 1 +52966 C C1B . LMT DF . 0.7686 1.3543 1.3292 0.0480 -0.0987 0.0464 101 LMT M C1B ? ? 1 +52967 C C2B . LMT DF . 0.7642 1.3409 1.3172 0.0521 -0.0981 0.0494 101 LMT M C2B ? ? 1 +52968 C C3B . LMT DF . 0.7804 1.3428 1.3191 0.0518 -0.0926 0.0536 101 LMT M C3B ? ? 1 +52969 C C4B . LMT DF . 0.8186 1.3751 1.3463 0.0523 -0.0932 0.0537 101 LMT M C4B ? ? 1 +52970 C C5B . LMT DF . 0.8434 1.4100 1.3807 0.0478 -0.0933 0.0508 101 LMT M C5B ? ? 1 +52971 C C6B . LMT DF . 0.8593 1.4206 1.3862 0.0480 -0.0937 0.0506 101 LMT M C6B ? ? 1 +52972 O O1B . LMT DF . 0.7275 1.3172 1.2968 0.0418 -0.0927 0.0469 101 LMT M O1B ? ? 1 +52973 O O2B . LMT DF . 0.7302 1.3121 1.2938 0.0502 -0.0957 0.0495 101 LMT M O2B ? ? 1 +52974 O O3B . LMT DF . 0.7326 1.2855 1.2621 0.0567 -0.0934 0.0560 101 LMT M O3B ? ? 1 +52975 O O4' . LMT DF . 0.8315 1.3764 1.3483 0.0506 -0.0868 0.0575 101 LMT M O4' ? ? 1 +52976 O O5B . LMT DF . 0.8314 1.4100 1.3800 0.0490 -0.0995 0.0468 101 LMT M O5B ? ? 1 +52977 O O6B . LMT DF . 0.8675 1.4236 1.3837 0.0541 -0.0999 0.0500 101 LMT M O6B ? ? 1 +52978 C C1' . LMT DF . 0.6056 1.2219 1.2109 0.0260 -0.0851 0.0422 101 LMT M C1' ? ? 1 +52979 C C2' . LMT DF . 0.6273 1.2452 1.2346 0.0304 -0.0888 0.0418 101 LMT M C2' ? ? 1 +52980 C C3' . LMT DF . 0.6594 1.2662 1.2531 0.0354 -0.0899 0.0444 101 LMT M C3' ? ? 1 +52981 C C4' . LMT DF . 0.6886 1.2905 1.2718 0.0376 -0.0930 0.0439 101 LMT M C4' ? ? 1 +52982 C C5' . LMT DF . 0.6842 1.2855 1.2667 0.0327 -0.0889 0.0441 101 LMT M C5' ? ? 1 +52983 C C6' . LMT DF . 0.6679 1.2654 1.2412 0.0342 -0.0916 0.0431 101 LMT M C6' ? ? 1 +52984 O O1' . LMT DF . 0.5247 1.1507 1.1419 0.0219 -0.0846 0.0397 101 LMT M O1' ? ? 1 +52985 O O2' . LMT DF . 0.6451 1.2664 1.2608 0.0284 -0.0857 0.0425 101 LMT M O2' ? ? 1 +52986 O O3' . LMT DF . 0.6803 1.2890 1.2763 0.0398 -0.0938 0.0437 101 LMT M O3' ? ? 1 +52987 O O5' . LMT DF . 0.6475 1.2597 1.2437 0.0282 -0.0882 0.0415 101 LMT M O5' ? ? 1 +52988 O O6' . LMT DF . 0.6332 1.2330 1.2094 0.0295 -0.0884 0.0424 101 LMT M O6' ? ? 1 +52989 C C1 . LMT DF . 0.4842 1.1098 1.1014 0.0176 -0.0809 0.0399 101 LMT M C1 ? ? 1 +52990 C C2 . LMT DF . 0.4628 1.0987 1.0926 0.0139 -0.0811 0.0371 101 LMT M C2 ? ? 1 +52991 C C3 . LMT DF . 0.4497 1.0866 1.0846 0.0094 -0.0754 0.0384 101 LMT M C3 ? ? 1 +52992 C C4 . LMT DF . 0.4367 1.0831 1.0834 0.0059 -0.0755 0.0357 101 LMT M C4 ? ? 1 +52993 C C5 . LMT DF . 0.4336 1.0818 1.0867 0.0026 -0.0708 0.0369 101 LMT M C5 ? ? 1 +52994 C C6 . LMT DF . 0.4427 1.0946 1.1009 -0.0018 -0.0685 0.0357 101 LMT M C6 ? ? 1 +52995 C C7 . LMT DF . 0.4488 1.1026 1.1131 -0.0047 -0.0642 0.0368 101 LMT M C7 ? ? 1 +52996 C C8 . LMT DF . 0.4632 1.1187 1.1305 -0.0086 -0.0615 0.0362 101 LMT M C8 ? ? 1 +52997 C C9 . LMT DF . 0.4914 1.1482 1.1638 -0.0111 -0.0575 0.0374 101 LMT M C9 ? ? 1 +52998 C C10 . LMT DF . 0.5065 1.1662 1.1833 -0.0146 -0.0555 0.0363 101 LMT M C10 ? ? 1 +52999 C C11 . LMT DF . 0.5118 1.1702 1.1902 -0.0166 -0.0513 0.0381 101 LMT M C11 ? ? 1 +53000 C C12 . LMT DF . 0.5177 1.1800 1.2031 -0.0175 -0.0504 0.0380 101 LMT M C12 ? ? 1 +53001 C C1 . LMG DG . 0.7073 1.4337 1.4217 0.0893 0.0709 0.0028 415 LMG a C1 ? ? 1 +53002 O O1 . LMG DG . 0.6943 1.4154 1.4012 0.0863 0.0767 0.0038 415 LMG a O1 ? ? 1 +53003 C C2 . LMG DG . 0.6903 1.4315 1.4208 0.0854 0.0705 0.0028 415 LMG a C2 ? ? 1 +53004 O O2 . LMG DG . 0.6856 1.4231 1.4134 0.0777 0.0696 0.0054 415 LMG a O2 ? ? 1 +53005 C C3 . LMG DG . 0.6892 1.4365 1.4278 0.0891 0.0643 0.0015 415 LMG a C3 ? ? 1 +53006 O O3 . LMG DG . 0.6560 1.4180 1.4103 0.0859 0.0643 0.0009 415 LMG a O3 ? ? 1 +53007 C C4 . LMG DG . 0.7403 1.4893 1.4797 0.0980 0.0647 -0.0011 415 LMG a C4 ? ? 1 +53008 O O4 . LMG DG . 0.7835 1.5466 1.5355 0.1000 0.0705 -0.0034 415 LMG a O4 ? ? 1 +53009 C C5 . LMG DG . 0.7568 1.4902 1.4793 0.1013 0.0659 -0.0008 415 LMG a C5 ? ? 1 +53010 O O5 . LMG DG . 0.7978 1.5165 1.5046 0.1138 0.0653 -0.0032 415 LMG a O5 ? ? 1 +53011 C C6 . LMG DG . 0.7861 1.5209 1.5089 0.1101 0.0675 -0.0035 415 LMG a C6 ? ? 1 +53012 O O6 . LMG DG . 0.7332 1.4627 1.4498 0.0972 0.0721 0.0003 415 LMG a O6 ? ? 1 +53013 C C7 . LMG DG . 0.6898 1.3944 1.3794 0.0869 0.0752 0.0048 415 LMG a C7 ? ? 1 +53014 C C8 . LMG DG . 0.6941 1.3934 1.3753 0.0865 0.0820 0.0049 415 LMG a C8 ? ? 1 +53015 C C9 . LMG DG . 0.7002 1.4108 1.3908 0.0894 0.0893 0.0029 415 LMG a C9 ? ? 1 +53016 O O7 . LMG DG . 0.6726 1.3683 1.3498 0.0792 0.0829 0.0074 415 LMG a O7 ? ? 1 +53017 C C10 . LMG DG . 0.6552 1.3376 1.3193 0.0768 0.0790 0.0090 415 LMG a C10 ? ? 1 +53018 O O9 . LMG DG . 0.6520 1.3255 1.3080 0.0800 0.0750 0.0085 415 LMG a O9 ? ? 1 +53019 C C11 . LMG DG . 0.6559 1.3357 1.3168 0.0699 0.0803 0.0114 415 LMG a C11 ? ? 1 +53020 C C12 . LMG DG . 0.6419 1.3065 1.2862 0.0684 0.0784 0.0126 415 LMG a C12 ? ? 1 +53021 C C13 . LMG DG . 0.6285 1.2873 1.2697 0.0655 0.0708 0.0139 415 LMG a C13 ? ? 1 +53022 C C14 . LMG DG . 0.6308 1.2756 1.2567 0.0632 0.0687 0.0151 415 LMG a C14 ? ? 1 +53023 C C15 . LMG DG . 0.6225 1.2632 1.2470 0.0595 0.0618 0.0164 415 LMG a C15 ? ? 1 +53024 C C16 . LMG DG . 0.6298 1.2564 1.2398 0.0593 0.0583 0.0164 415 LMG a C16 ? ? 1 +53025 C C17 . LMG DG . 0.6287 1.2484 1.2290 0.0558 0.0600 0.0176 415 LMG a C17 ? ? 1 +53026 C C18 . LMG DG . 0.6471 1.2542 1.2350 0.0545 0.0552 0.0177 415 LMG a C18 ? ? 1 +53027 C C19 . LMG DG . 0.6669 1.2663 1.2437 0.0522 0.0569 0.0185 415 LMG a C19 ? ? 1 +53028 C C20 . LMG DG . 0.6873 1.2816 1.2555 0.0562 0.0620 0.0171 415 LMG a C20 ? ? 1 +53029 C C21 . LMG DG . 0.7013 1.2923 1.2623 0.0540 0.0660 0.0182 415 LMG a C21 ? ? 1 +53030 C C22 . LMG DG . 0.7300 1.3157 1.2821 0.0582 0.0714 0.0167 415 LMG a C22 ? ? 1 +53031 C C23 . LMG DG . 0.7443 1.3172 1.2825 0.0606 0.0685 0.0150 415 LMG a C23 ? ? 1 +53032 C C24 . LMG DG . 0.7594 1.3219 1.2842 0.0580 0.0671 0.0156 415 LMG a C24 ? ? 1 +53033 C C25 . LMG DG . 0.7581 1.3104 1.2739 0.0573 0.0605 0.0146 415 LMG a C25 ? ? 1 +53034 O O8 . LMG DG . 0.7088 1.4103 1.3872 0.0903 0.0948 0.0030 415 LMG a O8 ? ? 1 +53035 C C28 . LMG DG . 0.7480 1.4563 1.4310 0.0936 0.1018 0.0012 415 LMG a C28 ? ? 1 +53036 O O10 . LMG DG . 0.8055 1.5280 1.5033 0.0956 0.1039 -0.0006 415 LMG a O10 ? ? 1 +53037 C C29 . LMG DG . 0.7300 1.4261 1.3975 0.0946 0.1065 0.0014 415 LMG a C29 ? ? 1 +53038 C C30 . LMG DG . 0.6954 1.3746 1.3462 0.0952 0.1012 0.0023 415 LMG a C30 ? ? 1 +53039 C C31 . LMG DG . 0.6896 1.3571 1.3254 0.0982 0.1056 0.0015 415 LMG a C31 ? ? 1 +53040 C C32 . LMG DG . 0.6752 1.3278 1.2949 0.0940 0.1034 0.0035 415 LMG a C32 ? ? 1 +53041 C C33 . LMG DG . 0.6751 1.3133 1.2810 0.0972 0.0984 0.0029 415 LMG a C33 ? ? 1 +53042 C C34 . LMG DG . 0.6748 1.2984 1.2639 0.0941 0.0979 0.0041 415 LMG a C34 ? ? 1 +53043 C C35 . LMG DG . 0.6662 1.2760 1.2430 0.0954 0.0916 0.0036 415 LMG a C35 ? ? 1 +53044 C C36 . LMG DG . 0.6525 1.2502 1.2159 0.0906 0.0890 0.0052 415 LMG a C36 ? ? 1 +53045 C C37 . LMG DG . 0.6651 1.2490 1.2117 0.0934 0.0909 0.0038 415 LMG a C37 ? ? 1 +53046 C C38 . LMG DG . 0.6751 1.2453 1.2085 0.0902 0.0849 0.0044 415 LMG a C38 ? ? 1 +53047 C C39 . LMG DG . 0.6650 1.2346 1.1965 0.0835 0.0836 0.0067 415 LMG a C39 ? ? 1 +53048 C C40 . LMG DG . 0.6676 1.2242 1.1863 0.0806 0.0778 0.0069 415 LMG a C40 ? ? 1 +53049 C C41 . LMG DG . 0.6741 1.2275 1.1864 0.0758 0.0783 0.0087 415 LMG a C41 ? ? 1 +53050 C C42 . LMG DG . 0.6835 1.2240 1.1825 0.0733 0.0727 0.0084 415 LMG a C42 ? ? 1 +53051 C C43 . LMG DG . 0.6819 1.2200 1.1757 0.0685 0.0721 0.0103 415 LMG a C43 ? ? 1 +53052 C C1 . HTG DH . 1.0630 2.0143 2.1528 -0.2587 -0.0239 -0.1510 623 HTG b C1 ? ? 1 +53053 S S1 . HTG DH . 1.0048 1.9512 2.0805 -0.2432 -0.0307 -0.1438 623 HTG b S1 ? ? 1 +53054 C C2 . HTG DH . 1.0722 2.0105 2.1545 -0.2635 -0.0110 -0.1461 623 HTG b C2 ? ? 1 +53055 O O2 . HTG DH . 1.0700 2.0209 2.1633 -0.2602 -0.0065 -0.1451 623 HTG b O2 ? ? 1 +53056 C C3 . HTG DH . 1.0815 2.0157 2.1683 -0.2770 -0.0034 -0.1501 623 HTG b C3 ? ? 1 +53057 O O3 . HTG DH . 1.0567 1.9723 2.1293 -0.2800 0.0073 -0.1442 623 HTG b O3 ? ? 1 +53058 C C4 . HTG DH . 1.0964 2.0236 2.1783 -0.2818 -0.0093 -0.1539 623 HTG b C4 ? ? 1 +53059 O O4 . HTG DH . 1.0983 2.0247 2.1877 -0.2948 -0.0026 -0.1586 623 HTG b O4 ? ? 1 +53060 C C5 . HTG DH . 1.0936 2.0384 2.1873 -0.2770 -0.0217 -0.1593 623 HTG b C5 ? ? 1 +53061 O O5 . HTG DH . 1.1035 2.0467 2.1877 -0.2641 -0.0282 -0.1542 623 HTG b O5 ? ? 1 +53062 C C6 . HTG DH . 1.0824 2.0219 2.1724 -0.2817 -0.0284 -0.1639 623 HTG b C6 ? ? 1 +53063 O O6 . HTG DH . 1.0737 2.0211 2.1785 -0.2939 -0.0247 -0.1710 623 HTG b O6 ? ? 1 +53064 C C1' . HTG DH . 0.9068 1.8591 1.9824 -0.2379 -0.0457 -0.1481 623 HTG b C1' ? ? 1 +53065 C C2' . HTG DH . 0.8362 1.7775 1.8942 -0.2266 -0.0510 -0.1416 623 HTG b C2' ? ? 1 +53066 C C3' . HTG DH . 0.7949 1.7496 1.8589 -0.2178 -0.0626 -0.1442 623 HTG b C3' ? ? 1 +53067 C C4' . HTG DH . 0.7703 1.7120 1.8166 -0.2117 -0.0704 -0.1414 623 HTG b C4' ? ? 1 +53068 C C5' . HTG DH . 0.7459 1.6991 1.7957 -0.2020 -0.0815 -0.1429 623 HTG b C5' ? ? 1 +53069 C C6' . HTG DH . 0.7209 1.6658 1.7587 -0.1991 -0.0906 -0.1438 623 HTG b C6' ? ? 1 +53070 C C7' . HTG DH . 0.6985 1.6594 1.7463 -0.1937 -0.1020 -0.1491 623 HTG b C7' ? ? 1 +53071 C C1 . LMG DI . 0.8621 1.0278 1.0822 0.0770 0.0116 -0.0549 520 LMG c C1 ? ? 1 +53072 O O1 . LMG DI . 0.8976 1.0630 1.1118 0.0756 0.0108 -0.0575 520 LMG c O1 ? ? 1 +53073 C C2 . LMG DI . 0.8330 1.0162 1.0661 0.0832 0.0147 -0.0509 520 LMG c C2 ? ? 1 +53074 O O2 . LMG DI . 0.8029 1.0035 1.0488 0.0782 0.0129 -0.0490 520 LMG c O2 ? ? 1 +53075 C C3 . LMG DI . 0.8255 1.0082 1.0636 0.0862 0.0158 -0.0483 520 LMG c C3 ? ? 1 +53076 O O3 . LMG DI . 0.8120 1.0106 1.0616 0.0926 0.0186 -0.0451 520 LMG c O3 ? ? 1 +53077 C C4 . LMG DI . 0.8496 1.0124 1.0733 0.0912 0.0174 -0.0504 520 LMG c C4 ? ? 1 +53078 O O4 . LMG DI . 0.8548 1.0163 1.0728 0.1006 0.0213 -0.0513 520 LMG c O4 ? ? 1 +53079 C C5 . LMG DI . 0.8683 1.0140 1.0793 0.0842 0.0145 -0.0542 520 LMG c C5 ? ? 1 +53080 O O5 . LMG DI . 0.9168 1.0260 1.1023 0.0807 0.0130 -0.0598 520 LMG c O5 ? ? 1 +53081 C C6 . LMG DI . 0.8949 1.0193 1.0900 0.0887 0.0161 -0.0567 520 LMG c C6 ? ? 1 +53082 O O6 . LMG DI . 0.8715 1.0192 1.0786 0.0818 0.0135 -0.0567 520 LMG c O6 ? ? 1 +53083 C C7 . LMG DI . 0.9386 1.0941 1.1455 0.0673 0.0066 -0.0609 520 LMG c C7 ? ? 1 +53084 C C8 . LMG DI . 0.9651 1.1265 1.1700 0.0662 0.0054 -0.0625 520 LMG c C8 ? ? 1 +53085 C C9 . LMG DI . 0.9503 1.1320 1.1708 0.0628 0.0040 -0.0594 520 LMG c C9 ? ? 1 +53086 O O7 . LMG DI . 1.0090 1.1580 1.2035 0.0596 0.0014 -0.0669 520 LMG c O7 ? ? 1 +53087 C C10 . LMG DI . 1.0618 1.1961 1.2405 0.0631 0.0024 -0.0705 520 LMG c C10 ? ? 1 +53088 O O9 . LMG DI . 1.0651 1.1963 1.2381 0.0715 0.0067 -0.0703 520 LMG c O9 ? ? 1 +53089 C C11 . LMG DI . 1.0967 1.2190 1.2660 0.0553 -0.0023 -0.0751 520 LMG c C11 ? ? 1 +53090 C C12 . LMG DI . 1.1299 1.2532 1.2924 0.0552 -0.0040 -0.0777 520 LMG c C12 ? ? 1 +53091 C C13 . LMG DI . 1.1452 1.2822 1.3180 0.0475 -0.0087 -0.0773 520 LMG c C13 ? ? 1 +53092 C C14 . LMG DI . 1.1746 1.3206 1.3466 0.0504 -0.0085 -0.0771 520 LMG c C14 ? ? 1 +53093 C C15 . LMG DI . 1.1849 1.3428 1.3655 0.0430 -0.0137 -0.0771 520 LMG c C15 ? ? 1 +53094 C C16 . LMG DI . 1.2120 1.3789 1.3918 0.0460 -0.0134 -0.0765 520 LMG c C16 ? ? 1 +53095 C C17 . LMG DI . 1.2182 1.4012 1.4109 0.0404 -0.0173 -0.0747 520 LMG c C17 ? ? 1 +53096 C C18 . LMG DI . 1.2475 1.4367 1.4367 0.0426 -0.0178 -0.0746 520 LMG c C18 ? ? 1 +53097 C C19 . LMG DI . 1.2638 1.4714 1.4679 0.0396 -0.0196 -0.0712 520 LMG c C19 ? ? 1 +53098 C C20 . LMG DI . 1.3018 1.5150 1.5020 0.0419 -0.0201 -0.0709 520 LMG c C20 ? ? 1 +53099 C C21 . LMG DI . 1.3242 1.5549 1.5390 0.0389 -0.0219 -0.0674 520 LMG c C21 ? ? 1 +53100 C C22 . LMG DI . 1.3734 1.6088 1.5836 0.0404 -0.0230 -0.0673 520 LMG c C22 ? ? 1 +53101 C C23 . LMG DI . 1.3823 1.6348 1.6069 0.0384 -0.0239 -0.0633 520 LMG c C23 ? ? 1 +53102 C C24 . LMG DI . 1.3879 1.6468 1.6229 0.0304 -0.0303 -0.0640 520 LMG c C24 ? ? 1 +53103 C C25 . LMG DI . 1.3500 1.6260 1.6018 0.0287 -0.0301 -0.0596 520 LMG c C25 ? ? 1 +53104 O O8 . LMG DI . 0.9574 1.1441 1.1749 0.0632 0.0036 -0.0606 520 LMG c O8 ? ? 1 +53105 C C28 . LMG DI . 0.9864 1.1791 1.2083 0.0556 -0.0010 -0.0614 520 LMG c C28 ? ? 1 +53106 O O10 . LMG DI . 1.0017 1.1940 1.2283 0.0485 -0.0045 -0.0617 520 LMG c O10 ? ? 1 +53107 C C29 . LMG DI . 1.0033 1.2039 1.2242 0.0571 -0.0009 -0.0615 520 LMG c C29 ? ? 1 +53108 C C30 . LMG DI . 1.0021 1.2204 1.2376 0.0524 -0.0033 -0.0587 520 LMG c C30 ? ? 1 +53109 C C31 . LMG DI . 1.0200 1.2412 1.2518 0.0494 -0.0065 -0.0605 520 LMG c C31 ? ? 1 +53110 C C32 . LMG DI . 1.0081 1.2475 1.2534 0.0477 -0.0072 -0.0570 520 LMG c C32 ? ? 1 +53111 C C33 . LMG DI . 1.0080 1.2561 1.2558 0.0550 -0.0018 -0.0541 520 LMG c C33 ? ? 1 +53112 C C34 . LMG DI . 1.0149 1.2712 1.2628 0.0545 -0.0028 -0.0536 520 LMG c C34 ? ? 1 +53113 C C35 . LMG DI . 0.9965 1.2699 1.2603 0.0509 -0.0043 -0.0499 520 LMG c C35 ? ? 1 +53114 C C36 . LMG DI . 0.9903 1.2760 1.2630 0.0563 0.0012 -0.0458 520 LMG c C36 ? ? 1 +53115 C C37 . LMG DI . 0.9806 1.2784 1.2588 0.0552 0.0008 -0.0437 520 LMG c C37 ? ? 1 +53116 C C38 . LMG DI . 0.9788 1.2841 1.2594 0.0616 0.0071 -0.0409 520 LMG c C38 ? ? 1 +53117 C C39 . LMG DI . 0.9651 1.2813 1.2599 0.0638 0.0106 -0.0373 520 LMG c C39 ? ? 1 +53118 C C40 . LMG DI . 0.9621 1.2883 1.2617 0.0690 0.0165 -0.0345 520 LMG c C40 ? ? 1 +53119 C C41 . LMG DI . 0.9397 1.2778 1.2544 0.0707 0.0194 -0.0311 520 LMG c C41 ? ? 1 +53120 C C42 . LMG DI . 0.9127 1.2649 1.2366 0.0724 0.0232 -0.0279 520 LMG c C42 ? ? 1 +53121 C C43 . LMG DI . 0.8740 1.2398 1.2150 0.0706 0.0230 -0.0245 520 LMG c C43 ? ? 1 +53122 CA CA . CA DJ . 1.1910 1.1843 1.3833 -0.0717 0.0012 -0.0706 103 CA f CA ? ? 1 +53123 MG MG . CLA DK . 0.0967 0.7923 0.8665 -0.0674 0.0010 0.0365 604 CLA B MG ? ? 1 +53124 C CHA . CLA DK . 0.0973 0.8137 0.8899 -0.0729 0.0053 0.0312 604 CLA B CHA ? ? 1 +53125 C CHB . CLA DK . 0.0922 0.7965 0.8612 -0.0583 -0.0020 0.0367 604 CLA B CHB ? ? 1 +53126 C CHC . CLA DK . 0.1014 0.7773 0.8491 -0.0625 0.0009 0.0425 604 CLA B CHC ? ? 1 +53127 C CHD . CLA DK . 0.1107 0.7925 0.8775 -0.0777 0.0083 0.0377 604 CLA B CHD ? ? 1 +53128 N NA . CLA DK . 0.0965 0.8041 0.8749 -0.0656 0.0016 0.0347 604 CLA B NA ? ? 1 +53129 C C1A . CLA DK . 0.0998 0.8150 0.8870 -0.0678 0.0029 0.0325 604 CLA B C1A ? ? 1 +53130 C C2A . CLA DK . 0.1017 0.8255 0.8943 -0.0647 0.0011 0.0308 604 CLA B C2A ? ? 1 +53131 C C3A . CLA DK . 0.0958 0.8150 0.8803 -0.0603 -0.0006 0.0328 604 CLA B C3A ? ? 1 +53132 C C4A . CLA DK . 0.0948 0.8044 0.8714 -0.0614 -0.0003 0.0349 604 CLA B C4A ? ? 1 +53133 C CMA . CLA DK . 0.0913 0.8140 0.8770 -0.0568 -0.0057 0.0314 604 CLA B CMA ? ? 1 +53134 C CAA . CLA DK . 0.1128 0.8431 0.9114 -0.0655 0.0052 0.0301 604 CLA B CAA ? ? 1 +53135 C CBA . CLA DK . 0.1286 0.8527 0.9213 -0.0667 0.0105 0.0327 604 CLA B CBA ? ? 1 +53136 C CGA . CLA DK . 0.1448 0.8753 0.9430 -0.0672 0.0149 0.0320 604 CLA B CGA ? ? 1 +53137 O O1A . CLA DK . 0.1389 0.8777 0.9434 -0.0651 0.0138 0.0301 604 CLA B O1A ? ? 1 +53138 O O2A . CLA DK . 0.1813 0.9075 0.9768 -0.0702 0.0208 0.0336 604 CLA B O2A ? ? 1 +53139 N NB . CLA DK . 0.0956 0.7868 0.8561 -0.0619 0.0000 0.0392 604 CLA B NB ? ? 1 +53140 C C1B . CLA DK . 0.0925 0.7878 0.8535 -0.0586 -0.0016 0.0388 604 CLA B C1B ? ? 1 +53141 C C2B . CLA DK . 0.0921 0.7826 0.8455 -0.0554 -0.0025 0.0407 604 CLA B C2B ? ? 1 +53142 C C3B . CLA DK . 0.0966 0.7793 0.8443 -0.0566 -0.0017 0.0423 604 CLA B C3B ? ? 1 +53143 C C4B . CLA DK . 0.0980 0.7815 0.8503 -0.0605 -0.0003 0.0413 604 CLA B C4B ? ? 1 +53144 C CMB . CLA DK . 0.0893 0.7820 0.8412 -0.0517 -0.0040 0.0408 604 CLA B CMB ? ? 1 +53145 C CAB . CLA DK . 0.0987 0.7744 0.8382 -0.0546 -0.0026 0.0443 604 CLA B CAB ? ? 1 +53146 C CBB . CLA DK . 0.0947 0.7706 0.8315 -0.0514 -0.0050 0.0445 604 CLA B CBB ? ? 1 +53147 N NC . CLA DK . 0.1029 0.7852 0.8626 -0.0694 0.0041 0.0396 604 CLA B NC ? ? 1 +53148 C C1C . CLA DK . 0.1046 0.7797 0.8556 -0.0667 0.0032 0.0418 604 CLA B C1C ? ? 1 +53149 C C2C . CLA DK . 0.1096 0.7754 0.8541 -0.0682 0.0052 0.0437 604 CLA B C2C ? ? 1 +53150 C C3C . CLA DK . 0.1122 0.7790 0.8617 -0.0728 0.0075 0.0424 604 CLA B C3C ? ? 1 +53151 C C4C . CLA DK . 0.1077 0.7851 0.8666 -0.0732 0.0064 0.0398 604 CLA B C4C ? ? 1 +53152 C CMC . CLA DK . 0.1126 0.7699 0.8476 -0.0657 0.0048 0.0461 604 CLA B CMC ? ? 1 +53153 C CAC . CLA DK . 0.1196 0.7780 0.8651 -0.0760 0.0102 0.0434 604 CLA B CAC ? ? 1 +53154 C CBC . CLA DK . 0.1197 0.7731 0.8623 -0.0757 0.0069 0.0431 604 CLA B CBC ? ? 1 +53155 N ND . CLA DK . 0.1035 0.8013 0.8803 -0.0738 0.0064 0.0354 604 CLA B ND ? ? 1 +53156 C C1D . CLA DK . 0.1068 0.7993 0.8829 -0.0780 0.0080 0.0354 604 CLA B C1D ? ? 1 +53157 C C2D . CLA DK . 0.1078 0.8063 0.8930 -0.0825 0.0103 0.0331 604 CLA B C2D ? ? 1 +53158 C C3D . CLA DK . 0.1026 0.8114 0.8948 -0.0802 0.0089 0.0314 604 CLA B C3D ? ? 1 +53159 C C4D . CLA DK . 0.0997 0.8072 0.8866 -0.0754 0.0064 0.0327 604 CLA B C4D ? ? 1 +53160 C CMD . CLA DK . 0.1130 0.8089 0.9008 -0.0880 0.0129 0.0322 604 CLA B CMD ? ? 1 +53161 C CAD . CLA DK . 0.1007 0.8210 0.9041 -0.0813 0.0091 0.0284 604 CLA B CAD ? ? 1 +53162 O OBD . CLA DK . 0.1006 0.8255 0.9119 -0.0858 0.0110 0.0263 604 CLA B OBD ? ? 1 +53163 C CBD . CLA DK . 0.0962 0.8217 0.9000 -0.0763 0.0067 0.0283 604 CLA B CBD ? ? 1 +53164 C CGD . CLA DK . 0.0901 0.8236 0.9014 -0.0754 0.0019 0.0252 604 CLA B CGD ? ? 1 +53165 O O1D . CLA DK . 0.0891 0.8320 0.9089 -0.0754 0.0022 0.0230 604 CLA B O1D ? ? 1 +53166 O O2D . CLA DK . 0.0857 0.8163 0.8944 -0.0745 -0.0031 0.0245 604 CLA B O2D ? ? 1 +53167 C CED . CLA DK . 0.0833 0.8210 0.8988 -0.0743 -0.0074 0.0214 604 CLA B CED ? ? 1 +53168 C C1 . CLA DK . 0.2088 0.9379 1.0052 -0.0692 0.0251 0.0339 604 CLA B C1 ? ? 1 +53169 C C2 . CLA DK . 0.2415 0.9641 1.0335 -0.0728 0.0310 0.0358 604 CLA B C2 ? ? 1 +53170 C C3 . CLA DK . 0.2877 1.0152 1.0870 -0.0767 0.0358 0.0345 604 CLA B C3 ? ? 1 +53171 C C4 . CLA DK . 0.2960 1.0367 1.1090 -0.0776 0.0352 0.0309 604 CLA B C4 ? ? 1 +53172 C C5 . CLA DK . 0.3262 1.0460 1.1199 -0.0803 0.0421 0.0367 604 CLA B C5 ? ? 1 +53173 C C6 . CLA DK . 0.3451 1.0717 1.1445 -0.0810 0.0477 0.0358 604 CLA B C6 ? ? 1 +53174 C C7 . CLA DK . 0.3771 1.0942 1.1673 -0.0828 0.0540 0.0386 604 CLA B C7 ? ? 1 +53175 C C8 . CLA DK . 0.3919 1.1142 1.1861 -0.0834 0.0602 0.0381 604 CLA B C8 ? ? 1 +53176 C C9 . CLA DK . 0.4035 1.1397 1.2097 -0.0814 0.0591 0.0349 604 CLA B C9 ? ? 1 +53177 C C10 . CLA DK . 0.4235 1.1376 1.2101 -0.0859 0.0676 0.0405 604 CLA B C10 ? ? 1 +53178 C C11 . CLA DK . 0.4498 1.1720 1.2456 -0.0892 0.0744 0.0387 604 CLA B C11 ? ? 1 +53179 C C12 . CLA DK . 0.4845 1.1971 1.2719 -0.0924 0.0821 0.0413 604 CLA B C12 ? ? 1 +53180 C C13 . CLA DK . 0.5192 1.2405 1.3146 -0.0938 0.0887 0.0397 604 CLA B C13 ? ? 1 +53181 C C14 . CLA DK . 0.5425 1.2641 1.3324 -0.0879 0.0890 0.0405 604 CLA B C14 ? ? 1 +53182 C C15 . CLA DK . 0.5429 1.2584 1.3360 -0.0996 0.0972 0.0409 604 CLA B C15 ? ? 1 +53183 C C16 . CLA DK . 0.5440 1.2718 1.3501 -0.1025 0.1035 0.0381 604 CLA B C16 ? ? 1 +53184 C C17 . CLA DK . 0.5394 1.2809 1.3626 -0.1054 0.1004 0.0340 604 CLA B C17 ? ? 1 +53185 C C18 . CLA DK . 0.5379 1.2952 1.3769 -0.1068 0.1044 0.0304 604 CLA B C18 ? ? 1 +53186 C C19 . CLA DK . 0.5245 1.2919 1.3790 -0.1132 0.1057 0.0269 604 CLA B C19 ? ? 1 +53187 C C20 . CLA DK . 0.5389 1.3011 1.3783 -0.1030 0.1086 0.0302 604 CLA B C20 ? ? 1 +53188 C C1B . LMT DL . 1.0981 1.7667 1.7954 0.0145 -0.0302 0.0316 630 LMT B C1B ? ? 1 +53189 C C2B . LMT DL . 1.0822 1.7405 1.7703 0.0131 -0.0294 0.0327 630 LMT B C2B ? ? 1 +53190 C C3B . LMT DL . 1.0538 1.7069 1.7364 0.0167 -0.0284 0.0323 630 LMT B C3B ? ? 1 +53191 C C4B . LMT DL . 1.0608 1.7142 1.7428 0.0221 -0.0306 0.0314 630 LMT B C4B ? ? 1 +53192 C C5B . LMT DL . 1.0712 1.7361 1.7634 0.0235 -0.0310 0.0302 630 LMT B C5B ? ? 1 +53193 C C6B . LMT DL . 1.0370 1.7036 1.7297 0.0293 -0.0335 0.0290 630 LMT B C6B ? ? 1 +53194 O O1B . LMT DL . 1.0750 1.7497 1.7779 0.0129 -0.0275 0.0314 630 LMT B O1B ? ? 1 +53195 O O2B . LMT DL . 1.0951 1.7534 1.7838 0.0085 -0.0275 0.0335 630 LMT B O2B ? ? 1 +53196 O O3B . LMT DL . 0.9918 1.6351 1.6659 0.0150 -0.0278 0.0331 630 LMT B O3B ? ? 1 +53197 O O4' . LMT DL . 1.0636 1.7113 1.7398 0.0259 -0.0298 0.0310 630 LMT B O4' ? ? 1 +53198 O O5B . LMT DL . 1.1270 1.7967 1.8244 0.0198 -0.0320 0.0305 630 LMT B O5B ? ? 1 +53199 O O6B . LMT DL . 1.0015 1.6793 1.7044 0.0301 -0.0347 0.0277 630 LMT B O6B ? ? 1 +53200 C C1' . LMT DL . 0.9808 1.6761 1.7040 0.0058 -0.0213 0.0310 630 LMT B C1' ? ? 1 +53201 C C2' . LMT DL . 1.0097 1.6999 1.7290 0.0033 -0.0235 0.0320 630 LMT B C2' ? ? 1 +53202 C C3' . LMT DL . 1.0345 1.7162 1.7453 0.0055 -0.0250 0.0323 630 LMT B C3' ? ? 1 +53203 C C4' . LMT DL . 1.0658 1.7487 1.7771 0.0101 -0.0273 0.0312 630 LMT B C4' ? ? 1 +53204 C C5' . LMT DL . 1.0582 1.7501 1.7774 0.0126 -0.0264 0.0297 630 LMT B C5' ? ? 1 +53205 C C6' . LMT DL . 1.0158 1.7162 1.7435 0.0120 -0.0282 0.0286 630 LMT B C6' ? ? 1 +53206 O O1' . LMT DL . 0.8870 1.5912 1.6192 0.0043 -0.0204 0.0302 630 LMT B O1' ? ? 1 +53207 O O2' . LMT DL . 0.9534 1.6420 1.6717 -0.0009 -0.0219 0.0332 630 LMT B O2' ? ? 1 +53208 O O3' . LMT DL . 1.0109 1.6875 1.7177 0.0027 -0.0262 0.0333 630 LMT B O3' ? ? 1 +53209 O O5' . LMT DL . 1.0330 1.7278 1.7548 0.0107 -0.0227 0.0299 630 LMT B O5' ? ? 1 +53210 O O6' . LMT DL . 0.9897 1.6880 1.7163 0.0090 -0.0302 0.0293 630 LMT B O6' ? ? 1 +53211 C C1 . LMT DL . 0.8138 1.5210 1.5486 0.0030 -0.0165 0.0303 630 LMT B C1 ? ? 1 +53212 C C2 . LMT DL . 0.7549 1.4696 1.4981 -0.0002 -0.0154 0.0300 630 LMT B C2 ? ? 1 +53213 C C3 . LMT DL . 0.7109 1.4268 1.4551 -0.0026 -0.0111 0.0306 630 LMT B C3 ? ? 1 +53214 C C4 . LMT DL . 0.6870 1.3956 1.4243 -0.0056 -0.0103 0.0325 630 LMT B C4 ? ? 1 +53215 C C5 . LMT DL . 0.6876 1.3922 1.4196 -0.0049 -0.0072 0.0331 630 LMT B C5 ? ? 1 +53216 C C6 . LMT DL . 0.7089 1.4089 1.4364 -0.0082 -0.0056 0.0348 630 LMT B C6 ? ? 1 +53217 C C7 . LMT DL . 0.7738 1.4693 1.4951 -0.0071 -0.0029 0.0352 630 LMT B C7 ? ? 1 +53218 C C8 . LMT DL . 0.8361 1.5332 1.5584 -0.0089 0.0012 0.0358 630 LMT B C8 ? ? 1 +53219 C C9 . LMT DL . 0.9196 1.6111 1.6363 -0.0119 0.0015 0.0374 630 LMT B C9 ? ? 1 +53220 C C10 . LMT DL . 0.9681 1.6576 1.6814 -0.0125 0.0056 0.0382 630 LMT B C10 ? ? 1 +53221 C C11 . LMT DL . 0.9952 1.6787 1.7023 -0.0149 0.0052 0.0398 630 LMT B C11 ? ? 1 +53222 C C12 . LMT DL . 1.0150 1.6947 1.7163 -0.0148 0.0087 0.0406 630 LMT B C12 ? ? 1 +53223 C C A BCT DM . 0.2990 0.7636 0.8668 0.0485 -0.0400 0.0645 401 BCT D C ? ? 1 +53224 C C B BCT DM . 0.3092 0.7676 0.8733 0.0478 -0.0387 0.0651 401 BCT D C ? ? 1 +53225 O O1 A BCT DM . 0.3032 0.7590 0.8671 0.0435 -0.0362 0.0654 401 BCT D O1 ? ? 1 +53226 O O1 B BCT DM . 0.3079 0.7616 0.8715 0.0413 -0.0348 0.0654 401 BCT D O1 ? ? 1 +53227 O O2 A BCT DM . 0.2855 0.7643 0.8646 0.0482 -0.0415 0.0620 401 BCT D O2 ? ? 1 +53228 O O2 B BCT DM . 0.2972 0.7694 0.8717 0.0495 -0.0411 0.0626 401 BCT D O2 ? ? 1 +53229 O O3 A BCT DM . 0.3093 0.7675 0.8683 0.0545 -0.0426 0.0663 401 BCT D O3 ? ? 1 +53230 O O3 B BCT DM . 0.3228 0.7709 0.8757 0.0532 -0.0403 0.0673 401 BCT D O3 ? ? 1 +53231 C C1 . GOL DN . 1.1109 1.7604 1.7942 -0.0078 -0.0248 0.0365 416 GOL a C1 ? ? 1 +53232 O O1 . GOL DN . 1.0943 1.7426 1.7773 -0.0083 -0.0264 0.0367 416 GOL a O1 ? ? 1 +53233 C C2 . GOL DN . 1.0936 1.7442 1.7770 -0.0038 -0.0245 0.0359 416 GOL a C2 ? ? 1 +53234 O O2 . GOL DN . 1.0131 1.6628 1.6948 -0.0034 -0.0227 0.0356 416 GOL a O2 ? ? 1 +53235 C C3 . GOL DN . 1.0788 1.7237 1.7570 -0.0009 -0.0258 0.0356 416 GOL a C3 ? ? 1 +53236 O O3 . GOL DN . 1.0822 1.7297 1.7619 0.0033 -0.0260 0.0348 416 GOL a O3 ? ? 1 +53237 C C1 . GOL DO . 0.6633 1.4305 1.3793 0.0286 -0.1914 -0.0410 624 GOL b C1 ? ? 1 +53238 O O1 . GOL DO . 0.6523 1.4229 1.3751 0.0303 -0.1873 -0.0383 624 GOL b O1 ? ? 1 +53239 C C2 . GOL DO . 0.6737 1.4544 1.4048 0.0231 -0.1945 -0.0475 624 GOL b C2 ? ? 1 +53240 O O2 . GOL DO . 0.6313 1.4242 1.3719 0.0275 -0.2020 -0.0518 624 GOL b O2 ? ? 1 +53241 C C3 . GOL DO . 0.6862 1.4619 1.4104 0.0194 -0.1967 -0.0500 624 GOL b C3 ? ? 1 +53242 O O3 . GOL DO . 0.6778 1.4380 1.3859 0.0190 -0.1919 -0.0452 624 GOL b O3 ? ? 1 +53243 C C1 . LMG DP . 1.6332 1.7603 1.7644 0.2843 0.1122 -0.0812 521 LMG c C1 ? ? 1 +53244 O O1 . LMG DP . 1.6274 1.7775 1.7751 0.2881 0.1175 -0.0801 521 LMG c O1 ? ? 1 +53245 C C2 . LMG DP . 1.6096 1.7355 1.7469 0.2852 0.1071 -0.0792 521 LMG c C2 ? ? 1 +53246 O O2 . LMG DP . 1.5555 1.7036 1.7137 0.2809 0.1053 -0.0755 521 LMG c O2 ? ? 1 +53247 C C3 . LMG DP . 1.6100 1.7137 1.7318 0.2779 0.1012 -0.0798 521 LMG c C3 ? ? 1 +53248 O O3 . LMG DP . 1.5983 1.6976 1.7229 0.2798 0.0970 -0.0782 521 LMG c O3 ? ? 1 +53249 C C4 . LMG DP . 1.6519 1.7317 1.7507 0.2808 0.1029 -0.0840 521 LMG c C4 ? ? 1 +53250 O O4 . LMG DP . 1.6661 1.7289 1.7551 0.2875 0.1013 -0.0852 521 LMG c O4 ? ? 1 +53251 C C5 . LMG DP . 1.6880 1.7706 1.7822 0.2883 0.1103 -0.0867 521 LMG c C5 ? ? 1 +53252 O O5 . LMG DP . 1.7441 1.7954 1.8068 0.3014 0.1166 -0.0936 521 LMG c O5 ? ? 1 +53253 C C6 . LMG DP . 1.7211 1.7885 1.8027 0.3003 0.1136 -0.0899 521 LMG c C6 ? ? 1 +53254 O O6 . LMG DP . 1.6637 1.7718 1.7766 0.2917 0.1152 -0.0850 521 LMG c O6 ? ? 1 +53255 C C7 . LMG DP . 1.6316 1.7840 1.7743 0.2871 0.1228 -0.0816 521 LMG c C7 ? ? 1 +53256 C C8 . LMG DP . 1.6177 1.7957 1.7795 0.2837 0.1259 -0.0790 521 LMG c C8 ? ? 1 +53257 C C9 . LMG DP . 1.6389 1.8218 1.7980 0.2889 0.1341 -0.0810 521 LMG c C9 ? ? 1 +53258 O O7 . LMG DP . 1.5852 1.7788 1.7655 0.2875 0.1246 -0.0767 521 LMG c O7 ? ? 1 +53259 C C10 . LMG DP . 1.5047 1.7211 1.7050 0.2834 0.1248 -0.0736 521 LMG c C10 ? ? 1 +53260 O O9 . LMG DP . 1.4922 1.7195 1.7063 0.2859 0.1227 -0.0718 521 LMG c O9 ? ? 1 +53261 C C11 . LMG DP . 1.4458 1.6738 1.6509 0.2762 0.1277 -0.0724 521 LMG c C11 ? ? 1 +53262 C C12 . LMG DP . 1.3752 1.6073 1.5857 0.2641 0.1218 -0.0694 521 LMG c C12 ? ? 1 +53263 C C13 . LMG DP . 1.3141 1.5662 1.5381 0.2592 0.1252 -0.0673 521 LMG c C13 ? ? 1 +53264 C C14 . LMG DP . 1.2713 1.5210 1.4914 0.2475 0.1213 -0.0657 521 LMG c C14 ? ? 1 +53265 C C15 . LMG DP . 1.2216 1.4870 1.4503 0.2439 0.1260 -0.0642 521 LMG c C15 ? ? 1 +53266 C C16 . LMG DP . 1.1753 1.4397 1.4016 0.2325 0.1217 -0.0624 521 LMG c C16 ? ? 1 +53267 C C17 . LMG DP . 1.1465 1.4210 1.3752 0.2297 0.1269 -0.0616 521 LMG c C17 ? ? 1 +53268 C C18 . LMG DP . 1.1183 1.3888 1.3413 0.2192 0.1223 -0.0603 521 LMG c C18 ? ? 1 +53269 C C19 . LMG DP . 1.0997 1.3726 1.3174 0.2172 0.1275 -0.0603 521 LMG c C19 ? ? 1 +53270 C C20 . LMG DP . 1.0745 1.3446 1.2878 0.2070 0.1223 -0.0589 521 LMG c C20 ? ? 1 +53271 C C21 . LMG DP . 1.0579 1.3314 1.2667 0.2048 0.1270 -0.0584 521 LMG c C21 ? ? 1 +53272 C C22 . LMG DP . 1.0392 1.3070 1.2409 0.1953 0.1210 -0.0574 521 LMG c C22 ? ? 1 +53273 C C23 . LMG DP . 1.0280 1.2994 1.2255 0.1928 0.1252 -0.0565 521 LMG c C23 ? ? 1 +53274 C C24 . LMG DP . 1.0135 1.2791 1.2038 0.1838 0.1187 -0.0558 521 LMG c C24 ? ? 1 +53275 C C25 . LMG DP . 1.0067 1.2740 1.1907 0.1817 0.1226 -0.0549 521 LMG c C25 ? ? 1 +53276 O O8 . LMG DP . 1.6409 1.8387 1.8087 0.2814 0.1360 -0.0790 521 LMG c O8 ? ? 1 +53277 C C28 . LMG DP . 1.6566 1.8438 1.8104 0.2754 0.1360 -0.0800 521 LMG c C28 ? ? 1 +53278 O O10 . LMG DP . 1.7029 1.8692 1.8378 0.2749 0.1337 -0.0826 521 LMG c O10 ? ? 1 +53279 C C29 . LMG DP . 1.6164 1.8211 1.7806 0.2698 0.1393 -0.0779 521 LMG c C29 ? ? 1 +53280 C C30 . LMG DP . 1.5875 1.7855 1.7434 0.2587 0.1348 -0.0771 521 LMG c C30 ? ? 1 +53281 C C31 . LMG DP . 1.5871 1.7689 1.7220 0.2590 0.1377 -0.0802 521 LMG c C31 ? ? 1 +53282 C C32 . LMG DP . 1.5822 1.7655 1.7136 0.2495 0.1362 -0.0789 521 LMG c C32 ? ? 1 +53283 C C33 . LMG DP . 1.5697 1.7741 1.7156 0.2485 0.1418 -0.0764 521 LMG c C33 ? ? 1 +53284 C C34 . LMG DP . 1.5686 1.7707 1.7053 0.2425 0.1430 -0.0762 521 LMG c C34 ? ? 1 +53285 C C35 . LMG DP . 1.5512 1.7746 1.7042 0.2394 0.1471 -0.0729 521 LMG c C35 ? ? 1 +53286 C C36 . LMG DP . 1.5645 1.7857 1.7089 0.2325 0.1471 -0.0722 521 LMG c C36 ? ? 1 +53287 C C37 . LMG DP . 1.5586 1.7994 1.7203 0.2262 0.1474 -0.0681 521 LMG c C37 ? ? 1 +53288 C C38 . LMG DP . 1.5599 1.7983 1.7127 0.2198 0.1475 -0.0672 521 LMG c C38 ? ? 1 +53289 C C39 . LMG DP . 1.5260 1.7827 1.6955 0.2132 0.1471 -0.0631 521 LMG c C39 ? ? 1 +53290 C C40 . LMG DP . 1.5313 1.7875 1.6927 0.2090 0.1498 -0.0621 521 LMG c C40 ? ? 1 +53291 C C41 . LMG DP . 1.5712 1.8239 1.7224 0.2156 0.1594 -0.0640 521 LMG c C41 ? ? 1 +53292 C C42 . LMG DP . 1.5773 1.8368 1.7278 0.2124 0.1646 -0.0618 521 LMG c C42 ? ? 1 +53293 C C43 . LMG DP . 1.5685 1.8241 1.7084 0.2190 0.1747 -0.0637 521 LMG c C43 ? ? 1 +53294 C C1 . BCR DQ . 0.2282 1.0400 1.0666 -0.1130 -0.1525 -0.1037 101 BCR h C1 ? ? 1 +53295 C C2 . BCR DQ . 0.2312 1.0408 1.0592 -0.1038 -0.1603 -0.1025 101 BCR h C2 ? ? 1 +53296 C C3 . BCR DQ . 0.2405 1.0549 1.0699 -0.1042 -0.1694 -0.1089 101 BCR h C3 ? ? 1 +53297 C C4 . BCR DQ . 0.2381 1.0711 1.0879 -0.1081 -0.1726 -0.1154 101 BCR h C4 ? ? 1 +53298 C C5 . BCR DQ . 0.2323 1.0703 1.0950 -0.1165 -0.1646 -0.1163 101 BCR h C5 ? ? 1 +53299 C C6 . BCR DQ . 0.2286 1.0565 1.0857 -0.1187 -0.1554 -0.1108 101 BCR h C6 ? ? 1 +53300 C C7 . BCR DQ . 0.2256 1.0578 1.0943 -0.1264 -0.1475 -0.1114 101 BCR h C7 ? ? 1 +53301 C C8 . BCR DQ . 0.2299 1.0706 1.1121 -0.1350 -0.1469 -0.1175 101 BCR h C8 ? ? 1 +53302 C C9 . BCR DQ . 0.2273 1.0710 1.1195 -0.1424 -0.1386 -0.1176 101 BCR h C9 ? ? 1 +53303 C C10 . BCR DQ . 0.2349 1.0816 1.1358 -0.1521 -0.1373 -0.1234 101 BCR h C10 ? ? 1 +53304 C C11 . BCR DQ . 0.2361 1.0824 1.1442 -0.1607 -0.1288 -0.1239 101 BCR h C11 ? ? 1 +53305 C C33 . BCR DQ . 0.2330 1.0883 1.1151 -0.1217 -0.1681 -0.1237 101 BCR h C33 ? ? 1 +53306 C C31 . BCR DQ . 0.2362 1.0326 1.0627 -0.1182 -0.1491 -0.1033 101 BCR h C31 ? ? 1 +53307 C C32 . BCR DQ . 0.2177 1.0283 1.0571 -0.1110 -0.1448 -0.0975 101 BCR h C32 ? ? 1 +53308 C C34 . BCR DQ . 0.2155 1.0591 1.1096 -0.1404 -0.1309 -0.1120 101 BCR h C34 ? ? 1 +53309 C C12 . BCR DQ . 0.2466 1.0897 1.1573 -0.1703 -0.1269 -0.1284 101 BCR h C12 ? ? 1 +53310 C C13 . BCR DQ . 0.2506 1.0915 1.1671 -0.1796 -0.1182 -0.1291 101 BCR h C13 ? ? 1 +53311 C C14 . BCR DQ . 0.2606 1.0946 1.1755 -0.1885 -0.1171 -0.1333 101 BCR h C14 ? ? 1 +53312 C C15 . BCR DQ . 0.2647 1.0941 1.1831 -0.1983 -0.1091 -0.1345 101 BCR h C15 ? ? 1 +53313 C C16 . BCR DQ . 0.2771 1.0981 1.1924 -0.2067 -0.1083 -0.1384 101 BCR h C16 ? ? 1 +53314 C C17 . BCR DQ . 0.2844 1.0999 1.2025 -0.2167 -0.1003 -0.1397 101 BCR h C17 ? ? 1 +53315 C C18 . BCR DQ . 0.2992 1.1040 1.2122 -0.2250 -0.0990 -0.1432 101 BCR h C18 ? ? 1 +53316 C C19 . BCR DQ . 0.3064 1.1053 1.2222 -0.2348 -0.0898 -0.1437 101 BCR h C19 ? ? 1 +53317 C C20 . BCR DQ . 0.3211 1.1071 1.2307 -0.2434 -0.0867 -0.1462 101 BCR h C20 ? ? 1 +53318 C C21 . BCR DQ . 0.3286 1.1075 1.2396 -0.2526 -0.0770 -0.1460 101 BCR h C21 ? ? 1 +53319 C C22 . BCR DQ . 0.3436 1.1092 1.2487 -0.2618 -0.0733 -0.1486 101 BCR h C22 ? ? 1 +53320 C C23 . BCR DQ . 0.3512 1.1114 1.2593 -0.2706 -0.0631 -0.1482 101 BCR h C23 ? ? 1 +53321 C C24 . BCR DQ . 0.3684 1.1205 1.2763 -0.2814 -0.0595 -0.1525 101 BCR h C24 ? ? 1 +53322 C C25 . BCR DQ . 0.3789 1.1243 1.2891 -0.2911 -0.0488 -0.1523 101 BCR h C25 ? ? 1 +53323 C C26 . BCR DQ . 0.3778 1.1130 1.2800 -0.2897 -0.0399 -0.1455 101 BCR h C26 ? ? 1 +53324 C C27 . BCR DQ . 0.3860 1.1147 1.2909 -0.2998 -0.0288 -0.1456 101 BCR h C27 ? ? 1 +53325 C C28 . BCR DQ . 0.3917 1.1339 1.3157 -0.3112 -0.0281 -0.1538 101 BCR h C28 ? ? 1 +53326 C C29 . BCR DQ . 0.4000 1.1433 1.3246 -0.3138 -0.0368 -0.1603 101 BCR h C29 ? ? 1 +53327 C C30 . BCR DQ . 0.3916 1.1450 1.3163 -0.3032 -0.0485 -0.1607 101 BCR h C30 ? ? 1 +53328 C C35 . BCR DQ . 0.2432 1.0883 1.1670 -0.1801 -0.1100 -0.1255 101 BCR h C35 ? ? 1 +53329 C C36 . BCR DQ . 0.3084 1.1073 1.2120 -0.2233 -0.1076 -0.1463 101 BCR h C36 ? ? 1 +53330 C C37 . BCR DQ . 0.3516 1.1080 1.2459 -0.2616 -0.0805 -0.1518 101 BCR h C37 ? ? 1 +53331 C C38 . BCR DQ . 0.3678 1.0957 1.2568 -0.2783 -0.0396 -0.1373 101 BCR h C38 ? ? 1 +53332 C C39 . BCR DQ . 0.4034 1.1493 1.3206 -0.3053 -0.0561 -0.1655 101 BCR h C39 ? ? 1 +53333 C C40 . BCR DQ . 0.3841 1.1644 1.3324 -0.3032 -0.0527 -0.1657 101 BCR h C40 ? ? 1 +53334 MG MG . CLA DR . 0.0957 0.8339 0.8893 -0.0567 0.0271 0.0339 605 CLA B MG ? ? 1 +53335 C CHA . CLA DR . 0.0843 0.8267 0.8840 -0.0552 0.0133 0.0309 605 CLA B CHA ? ? 1 +53336 C CHB . CLA DR . 0.0905 0.8560 0.9132 -0.0587 0.0296 0.0268 605 CLA B CHB ? ? 1 +53337 C CHC . CLA DR . 0.1122 0.8429 0.8998 -0.0630 0.0434 0.0370 605 CLA B CHC ? ? 1 +53338 C CHD . CLA DR . 0.1007 0.8123 0.8692 -0.0581 0.0250 0.0402 605 CLA B CHD ? ? 1 +53339 N NA . CLA DR . 0.0890 0.8401 0.8970 -0.0569 0.0223 0.0298 605 CLA B NA ? ? 1 +53340 C C1A . CLA DR . 0.0849 0.8363 0.8934 -0.0558 0.0167 0.0290 605 CLA B C1A ? ? 1 +53341 C C2A . CLA DR . 0.0814 0.8436 0.9006 -0.0547 0.0136 0.0257 605 CLA B C2A ? ? 1 +53342 C C3A . CLA DR . 0.0832 0.8530 0.9097 -0.0553 0.0185 0.0244 605 CLA B C3A ? ? 1 +53343 C C4A . CLA DR . 0.0880 0.8497 0.9068 -0.0573 0.0240 0.0272 605 CLA B C4A ? ? 1 +53344 C CMA . CLA DR . 0.0809 0.8560 0.9091 -0.0499 0.0171 0.0233 605 CLA B CMA ? ? 1 +53345 C CAA . CLA DR . 0.0816 0.8460 0.9064 -0.0584 0.0112 0.0241 605 CLA B CAA ? ? 1 +53346 C CBA . CLA DR . 0.0878 0.8516 0.9157 -0.0641 0.0163 0.0242 605 CLA B CBA ? ? 1 +53347 C CGA . CLA DR . 0.0909 0.8518 0.9195 -0.0681 0.0144 0.0237 605 CLA B CGA ? ? 1 +53348 O O1A . CLA DR . 0.0882 0.8509 0.9187 -0.0673 0.0092 0.0223 605 CLA B O1A ? ? 1 +53349 O O2A . CLA DR . 0.1010 0.8564 0.9276 -0.0730 0.0191 0.0250 605 CLA B O2A ? ? 1 +53350 N NB . CLA DR . 0.0998 0.8465 0.9036 -0.0606 0.0352 0.0323 605 CLA B NB ? ? 1 +53351 C C1B . CLA DR . 0.0970 0.8552 0.9126 -0.0607 0.0355 0.0293 605 CLA B C1B ? ? 1 +53352 C C2B . CLA DR . 0.1025 0.8659 0.9243 -0.0636 0.0422 0.0285 605 CLA B C2B ? ? 1 +53353 C C3B . CLA DR . 0.1089 0.8614 0.9198 -0.0650 0.0465 0.0316 605 CLA B C3B ? ? 1 +53354 C C4B . CLA DR . 0.1066 0.8496 0.9069 -0.0627 0.0416 0.0338 605 CLA B C4B ? ? 1 +53355 C CMB . CLA DR . 0.1020 0.8786 0.9377 -0.0646 0.0442 0.0251 605 CLA B CMB ? ? 1 +53356 C CAB . CLA DR . 0.1171 0.8694 0.9284 -0.0678 0.0542 0.0322 605 CLA B CAB ? ? 1 +53357 C CBB . CLA DR . 0.1251 0.8676 0.9252 -0.0675 0.0579 0.0350 605 CLA B CBB ? ? 1 +53358 N NC . CLA DR . 0.1046 0.8291 0.8859 -0.0600 0.0326 0.0377 605 CLA B NC ? ? 1 +53359 C C1C . CLA DR . 0.1112 0.8334 0.8903 -0.0618 0.0388 0.0388 605 CLA B C1C ? ? 1 +53360 C C2C . CLA DR . 0.1173 0.8279 0.8852 -0.0630 0.0410 0.0418 605 CLA B C2C ? ? 1 +53361 C C3C . CLA DR . 0.1144 0.8198 0.8771 -0.0613 0.0353 0.0426 605 CLA B C3C ? ? 1 +53362 C C4C . CLA DR . 0.1060 0.8204 0.8772 -0.0596 0.0308 0.0401 605 CLA B C4C ? ? 1 +53363 C CMC . CLA DR . 0.1271 0.8318 0.8892 -0.0651 0.0475 0.0437 605 CLA B CMC ? ? 1 +53364 C CAC . CLA DR . 0.1174 0.8114 0.8688 -0.0611 0.0342 0.0453 605 CLA B CAC ? ? 1 +53365 C CBC . CLA DR . 0.1206 0.8111 0.8728 -0.0652 0.0347 0.0456 605 CLA B CBC ? ? 1 +53366 N ND . CLA DR . 0.0942 0.8237 0.8814 -0.0578 0.0214 0.0352 605 CLA B ND ? ? 1 +53367 C C1D . CLA DR . 0.0942 0.8131 0.8702 -0.0571 0.0205 0.0379 605 CLA B C1D ? ? 1 +53368 C C2D . CLA DR . 0.0900 0.8067 0.8643 -0.0561 0.0150 0.0377 605 CLA B C2D ? ? 1 +53369 C C3D . CLA DR . 0.0854 0.8114 0.8690 -0.0554 0.0123 0.0350 605 CLA B C3D ? ? 1 +53370 C C4D . CLA DR . 0.0878 0.8204 0.8776 -0.0559 0.0158 0.0338 605 CLA B C4D ? ? 1 +53371 C CMD . CLA DR . 0.0896 0.7979 0.8556 -0.0553 0.0121 0.0395 605 CLA B CMD ? ? 1 +53372 C CAD . CLA DR . 0.0812 0.8119 0.8694 -0.0540 0.0071 0.0330 605 CLA B CAD ? ? 1 +53373 O OBD . CLA DR . 0.0785 0.8051 0.8627 -0.0530 0.0030 0.0334 605 CLA B OBD ? ? 1 +53374 C CBD . CLA DR . 0.0801 0.8213 0.8784 -0.0536 0.0073 0.0303 605 CLA B CBD ? ? 1 +53375 C CGD . CLA DR . 0.0786 0.8221 0.8757 -0.0485 0.0044 0.0298 605 CLA B CGD ? ? 1 +53376 O O1D . CLA DR . 0.0784 0.8279 0.8807 -0.0466 0.0010 0.0278 605 CLA B O1D ? ? 1 +53377 O O2D . CLA DR . 0.0815 0.8194 0.8703 -0.0456 0.0056 0.0318 605 CLA B O2D ? ? 1 +53378 C CED . CLA DR . 0.0799 0.8198 0.8676 -0.0410 0.0035 0.0313 605 CLA B CED ? ? 1 +53379 C C1 . CLA DR . 0.1082 0.8608 0.9357 -0.0768 0.0174 0.0244 605 CLA B C1 ? ? 1 +53380 C C2 . CLA DR . 0.1215 0.8683 0.9466 -0.0817 0.0233 0.0259 605 CLA B C2 ? ? 1 +53381 C C3 . CLA DR . 0.1321 0.8759 0.9586 -0.0865 0.0239 0.0253 605 CLA B C3 ? ? 1 +53382 C C4 . CLA DR . 0.1260 0.8723 0.9567 -0.0874 0.0184 0.0229 605 CLA B C4 ? ? 1 +53383 C C5 . CLA DR . 0.1491 0.8859 0.9716 -0.0908 0.0305 0.0273 605 CLA B C5 ? ? 1 +53384 C C6 . CLA DR . 0.1603 0.8922 0.9832 -0.0960 0.0310 0.0268 605 CLA B C6 ? ? 1 +53385 C C7 . CLA DR . 0.1754 0.8998 0.9937 -0.1001 0.0381 0.0289 605 CLA B C7 ? ? 1 +53386 C C8 . CLA DR . 0.1852 0.9016 1.0008 -0.1050 0.0389 0.0291 605 CLA B C8 ? ? 1 +53387 C C9 . CLA DR . 0.1858 0.9019 1.0033 -0.1057 0.0332 0.0272 605 CLA B C9 ? ? 1 +53388 C C10 . CLA DR . 0.1956 0.9023 1.0042 -0.1084 0.0459 0.0318 605 CLA B C10 ? ? 1 +53389 C C11 . CLA DR . 0.1997 0.8960 1.0030 -0.1124 0.0462 0.0325 605 CLA B C11 ? ? 1 +53390 C C12 . CLA DR . 0.2073 0.8933 1.0027 -0.1154 0.0533 0.0353 605 CLA B C12 ? ? 1 +53391 C C13 . CLA DR . 0.2061 0.8986 1.0107 -0.1208 0.0599 0.0336 605 CLA B C13 ? ? 1 +53392 C C14 . CLA DR . 0.2143 0.8986 1.0094 -0.1205 0.0664 0.0371 605 CLA B C14 ? ? 1 +53393 C C15 . CLA DR . 0.2084 0.8992 1.0178 -0.1276 0.0613 0.0317 605 CLA B C15 ? ? 1 +53394 C C16 . CLA DR . 0.2131 0.9082 1.0306 -0.1341 0.0687 0.0302 605 CLA B C16 ? ? 1 +53395 C C17 . CLA DR . 0.2033 0.9157 1.0357 -0.1339 0.0681 0.0267 605 CLA B C17 ? ? 1 +53396 C C18 . CLA DR . 0.2040 0.9257 1.0506 -0.1410 0.0714 0.0228 605 CLA B C18 ? ? 1 +53397 C C19 . CLA DR . 0.2126 0.9280 1.0601 -0.1483 0.0736 0.0218 605 CLA B C19 ? ? 1 +53398 C C20 . CLA DR . 0.1995 0.9367 1.0593 -0.1411 0.0739 0.0201 605 CLA B C20 ? ? 1 +53399 C C1B . LMT DS . 1.1173 1.7731 1.8080 -0.0078 -0.0314 0.0365 631 LMT B C1B ? ? 1 +53400 O O1B . LMT DS . 1.2802 1.9418 1.9758 -0.0059 -0.0312 0.0359 631 LMT B O1B ? ? 1 +53401 C C1' . LMT DS . 1.0495 1.7252 1.7582 -0.0087 -0.0255 0.0358 631 LMT B C1' ? ? 1 +53402 C C2' . LMT DS . 1.1708 1.8397 1.8724 -0.0066 -0.0258 0.0358 631 LMT B C2' ? ? 1 +53403 C C3' . LMT DS . 1.2504 1.9165 1.9494 -0.0047 -0.0281 0.0355 631 LMT B C3' ? ? 1 +53404 C C4' . LMT DS . 1.2786 1.9440 1.9779 -0.0076 -0.0292 0.0360 631 LMT B C4' ? ? 1 +53405 C C5' . LMT DS . 1.2391 1.9117 1.9458 -0.0093 -0.0293 0.0358 631 LMT B C5' ? ? 1 +53406 C C6' . LMT DS . 1.2597 1.9321 1.9671 -0.0131 -0.0286 0.0366 631 LMT B C6' ? ? 1 +53407 O O1' . LMT DS . 0.8093 1.4837 1.5174 -0.0121 -0.0246 0.0367 631 LMT B O1' ? ? 1 +53408 O O2' . LMT DS . 1.2349 1.9047 1.9363 -0.0040 -0.0244 0.0353 631 LMT B O2' ? ? 1 +53409 O O3' . LMT DS . 1.2551 1.9139 1.9469 -0.0030 -0.0281 0.0356 631 LMT B O3' ? ? 1 +53410 O O5' . LMT DS . 1.1341 1.8121 1.8454 -0.0085 -0.0277 0.0353 631 LMT B O5' ? ? 1 +53411 O O6' . LMT DS . 1.3064 1.9774 2.0131 -0.0141 -0.0302 0.0367 631 LMT B O6' ? ? 1 +53412 C C1 . LMT DS . 0.6410 1.3155 1.3485 -0.0127 -0.0223 0.0371 631 LMT B C1 ? ? 1 +53413 C C2 . LMT DS . 0.5549 1.2348 1.2680 -0.0146 -0.0210 0.0373 631 LMT B C2 ? ? 1 +53414 C C3 . LMT DS . 0.5009 1.1831 1.2153 -0.0137 -0.0184 0.0371 631 LMT B C3 ? ? 1 +53415 C C4 . LMT DS . 0.4694 1.1538 1.1862 -0.0163 -0.0164 0.0379 631 LMT B C4 ? ? 1 +53416 C C5 . LMT DS . 0.4785 1.1670 1.1986 -0.0155 -0.0136 0.0375 631 LMT B C5 ? ? 1 +53417 C C6 . LMT DS . 0.4921 1.1779 1.2085 -0.0165 -0.0110 0.0384 631 LMT B C6 ? ? 1 +53418 C C7 . LMT DS . 0.5021 1.1894 1.2210 -0.0195 -0.0094 0.0393 631 LMT B C7 ? ? 1 +53419 C C8 . LMT DS . 0.5084 1.1934 1.2236 -0.0198 -0.0064 0.0401 631 LMT B C8 ? ? 1 +53420 C C9 . LMT DS . 0.5061 1.1902 1.2213 -0.0227 -0.0052 0.0413 631 LMT B C9 ? ? 1 +53421 C C10 . LMT DS . 0.5166 1.1956 1.2251 -0.0228 -0.0034 0.0424 631 LMT B C10 ? ? 1 +53422 C C11 . LMT DS . 0.5030 1.1768 1.2062 -0.0234 -0.0059 0.0431 631 LMT B C11 ? ? 1 +53423 C C12 . LMT DS . 0.5151 1.1841 1.2115 -0.0233 -0.0045 0.0440 631 LMT B C12 ? ? 1 +53424 MG MG A CLA DT . 0.1113 0.7181 0.8047 -0.0344 -0.0281 0.0303 402 CLA D MG ? ? 1 +53425 MG MG B CLA DT . 0.1106 0.7168 0.8037 -0.0342 -0.0281 0.0302 402 CLA D MG ? ? 1 +53426 C CHA A CLA DT . 0.1208 0.7195 0.8141 -0.0423 -0.0282 0.0300 402 CLA D CHA ? ? 1 +53427 C CHA B CLA DT . 0.1205 0.7193 0.8138 -0.0423 -0.0282 0.0301 402 CLA D CHA ? ? 1 +53428 C CHB A CLA DT . 0.1220 0.7185 0.8102 -0.0292 -0.0263 0.0332 402 CLA D CHB ? ? 1 +53429 C CHB B CLA DT . 0.1209 0.7173 0.8090 -0.0291 -0.0263 0.0332 402 CLA D CHB ? ? 1 +53430 C CHC A CLA DT . 0.1093 0.7196 0.8012 -0.0271 -0.0266 0.0288 402 CLA D CHC ? ? 1 +53431 C CHC B CLA DT . 0.1081 0.7179 0.7997 -0.0271 -0.0266 0.0287 402 CLA D CHC ? ? 1 +53432 C CHD A CLA DT . 0.1112 0.7199 0.8032 -0.0378 -0.0311 0.0257 402 CLA D CHD ? ? 1 +53433 C CHD B CLA DT . 0.1100 0.7183 0.8020 -0.0379 -0.0311 0.0257 402 CLA D CHD ? ? 1 +53434 N NA A CLA DT . 0.1198 0.7191 0.8109 -0.0356 -0.0273 0.0316 402 CLA D NA ? ? 1 +53435 N NA B CLA DT . 0.1195 0.7184 0.8104 -0.0355 -0.0273 0.0316 402 CLA D NA ? ? 1 +53436 C C1A A CLA DT . 0.1233 0.7201 0.8146 -0.0389 -0.0272 0.0316 402 CLA D C1A ? ? 1 +53437 C C1A B CLA DT . 0.1231 0.7199 0.8143 -0.0389 -0.0272 0.0316 402 CLA D C1A ? ? 1 +53438 C C2A A CLA DT . 0.1290 0.7215 0.8186 -0.0393 -0.0260 0.0334 402 CLA D C2A ? ? 1 +53439 C C2A B CLA DT . 0.1293 0.7219 0.8190 -0.0392 -0.0260 0.0335 402 CLA D C2A ? ? 1 +53440 C C3A A CLA DT . 0.1272 0.7201 0.8156 -0.0349 -0.0258 0.0346 402 CLA D C3A ? ? 1 +53441 C C3A B CLA DT . 0.1270 0.7200 0.8154 -0.0348 -0.0258 0.0346 402 CLA D C3A ? ? 1 +53442 C C4A A CLA DT . 0.1230 0.7193 0.8122 -0.0331 -0.0265 0.0330 402 CLA D C4A ? ? 1 +53443 C C4A B CLA DT . 0.1227 0.7188 0.8117 -0.0330 -0.0265 0.0330 402 CLA D C4A ? ? 1 +53444 C CMA A CLA DT . 0.1217 0.7199 0.8126 -0.0344 -0.0256 0.0364 402 CLA D CMA ? ? 1 +53445 C CMA B CLA DT . 0.1214 0.7199 0.8125 -0.0343 -0.0257 0.0364 402 CLA D CMA ? ? 1 +53446 C CAA A CLA DT . 0.1410 0.7249 0.8270 -0.0410 -0.0254 0.0328 402 CLA D CAA ? ? 1 +53447 C CAA B CLA DT . 0.1425 0.7263 0.8283 -0.0408 -0.0254 0.0328 402 CLA D CAA ? ? 1 +53448 C CBA A CLA DT . 0.1496 0.7278 0.8327 -0.0410 -0.0240 0.0348 402 CLA D CBA ? ? 1 +53449 C CBA B CLA DT . 0.1522 0.7305 0.8354 -0.0411 -0.0239 0.0348 402 CLA D CBA ? ? 1 +53450 C CGA A CLA DT . 0.1631 0.7317 0.8417 -0.0424 -0.0232 0.0340 402 CLA D CGA ? ? 1 +53451 C CGA B CLA DT . 0.1674 0.7359 0.8459 -0.0422 -0.0233 0.0341 402 CLA D CGA ? ? 1 +53452 O O1A A CLA DT . 0.1712 0.7329 0.8451 -0.0398 -0.0226 0.0348 402 CLA D O1A ? ? 1 +53453 O O1A B CLA DT . 0.1760 0.7384 0.8500 -0.0391 -0.0229 0.0346 402 CLA D O1A ? ? 1 +53454 O O2A A CLA DT . 0.1710 0.7379 0.8507 -0.0469 -0.0234 0.0322 402 CLA D O2A ? ? 1 +53455 O O2A B CLA DT . 0.1783 0.7446 0.8577 -0.0469 -0.0231 0.0326 402 CLA D O2A ? ? 1 +53456 N NB A CLA DT . 0.1143 0.7186 0.8053 -0.0292 -0.0269 0.0308 402 CLA D NB ? ? 1 +53457 N NB B CLA DT . 0.1132 0.7170 0.8039 -0.0290 -0.0269 0.0307 402 CLA D NB ? ? 1 +53458 C C1B A CLA DT . 0.1176 0.7185 0.8072 -0.0273 -0.0264 0.0320 402 CLA D C1B ? ? 1 +53459 C C1B B CLA DT . 0.1164 0.7170 0.8058 -0.0271 -0.0264 0.0319 402 CLA D C1B ? ? 1 +53460 C C2B A CLA DT . 0.1184 0.7196 0.8075 -0.0231 -0.0260 0.0318 402 CLA D C2B ? ? 1 +53461 C C2B B CLA DT . 0.1168 0.7179 0.8058 -0.0229 -0.0259 0.0318 402 CLA D C2B ? ? 1 +53462 C C3B A CLA DT . 0.1148 0.7204 0.8054 -0.0230 -0.0258 0.0305 402 CLA D C3B ? ? 1 +53463 C C3B B CLA DT . 0.1135 0.7189 0.8040 -0.0228 -0.0257 0.0304 402 CLA D C3B ? ? 1 +53464 C C4B A CLA DT . 0.1122 0.7192 0.8036 -0.0266 -0.0265 0.0301 402 CLA D C4B ? ? 1 +53465 C C4B B CLA DT . 0.1109 0.7175 0.8020 -0.0265 -0.0265 0.0300 402 CLA D C4B ? ? 1 +53466 C CMB A CLA DT . 0.1223 0.7201 0.8096 -0.0198 -0.0257 0.0328 402 CLA D CMB ? ? 1 +53467 C CMB B CLA DT . 0.1204 0.7181 0.8076 -0.0197 -0.0257 0.0329 402 CLA D CMB ? ? 1 +53468 C CAB A CLA DT . 0.1141 0.7226 0.8056 -0.0199 -0.0249 0.0296 402 CLA D CAB ? ? 1 +53469 C CAB B CLA DT . 0.1127 0.7213 0.8042 -0.0198 -0.0249 0.0295 402 CLA D CAB ? ? 1 +53470 C CBB A CLA DT . 0.1162 0.7247 0.8080 -0.0165 -0.0245 0.0299 402 CLA D CBB ? ? 1 +53471 C CBB B CLA DT . 0.1135 0.7234 0.8061 -0.0165 -0.0245 0.0299 402 CLA D CBB ? ? 1 +53472 N NC A CLA DT . 0.1105 0.7188 0.8023 -0.0329 -0.0285 0.0280 402 CLA D NC ? ? 1 +53473 N NC B CLA DT . 0.1094 0.7172 0.8009 -0.0329 -0.0285 0.0280 402 CLA D NC ? ? 1 +53474 C C1C A CLA DT . 0.1100 0.7199 0.8013 -0.0301 -0.0276 0.0278 402 CLA D C1C ? ? 1 +53475 C C1C B CLA DT . 0.1088 0.7182 0.7998 -0.0301 -0.0276 0.0277 402 CLA D C1C ? ? 1 +53476 C C2C A CLA DT . 0.1103 0.7207 0.7998 -0.0298 -0.0277 0.0263 402 CLA D C2C ? ? 1 +53477 C C2C B CLA DT . 0.1087 0.7190 0.7981 -0.0298 -0.0278 0.0262 402 CLA D C2C ? ? 1 +53478 C C3C A CLA DT . 0.1109 0.7205 0.8000 -0.0327 -0.0293 0.0254 402 CLA D C3C ? ? 1 +53479 C C3C B CLA DT . 0.1090 0.7185 0.7981 -0.0328 -0.0294 0.0254 402 CLA D C3C ? ? 1 +53480 C C4C A CLA DT . 0.1104 0.7195 0.8017 -0.0345 -0.0296 0.0266 402 CLA D C4C ? ? 1 +53481 C C4C B CLA DT . 0.1092 0.7179 0.8002 -0.0345 -0.0296 0.0265 402 CLA D C4C ? ? 1 +53482 C CMC A CLA DT . 0.1102 0.7221 0.7988 -0.0272 -0.0263 0.0257 402 CLA D CMC ? ? 1 +53483 C CMC B CLA DT . 0.1088 0.7205 0.7972 -0.0273 -0.0264 0.0256 402 CLA D CMC ? ? 1 +53484 C CAC A CLA DT . 0.1122 0.7220 0.7994 -0.0337 -0.0306 0.0238 402 CLA D CAC ? ? 1 +53485 C CAC B CLA DT . 0.1098 0.7197 0.7971 -0.0338 -0.0306 0.0238 402 CLA D CAC ? ? 1 +53486 C CBC A CLA DT . 0.1060 0.7218 0.7969 -0.0351 -0.0314 0.0248 402 CLA D CBC ? ? 1 +53487 C CBC B CLA DT . 0.1033 0.7192 0.7943 -0.0351 -0.0314 0.0249 402 CLA D CBC ? ? 1 +53488 N ND A CLA DT . 0.1157 0.7191 0.8081 -0.0385 -0.0295 0.0281 402 CLA D ND ? ? 1 +53489 N ND B CLA DT . 0.1149 0.7180 0.8072 -0.0386 -0.0294 0.0281 402 CLA D ND ? ? 1 +53490 C C1D A CLA DT . 0.1126 0.7193 0.8060 -0.0399 -0.0309 0.0265 402 CLA D C1D ? ? 1 +53491 C C1D B CLA DT . 0.1117 0.7183 0.8051 -0.0400 -0.0309 0.0265 402 CLA D C1D ? ? 1 +53492 C C2D A CLA DT . 0.1140 0.7209 0.8093 -0.0436 -0.0320 0.0256 402 CLA D C2D ? ? 1 +53493 C C2D B CLA DT . 0.1134 0.7202 0.8088 -0.0437 -0.0320 0.0257 402 CLA D C2D ? ? 1 +53494 C C3D A CLA DT . 0.1166 0.7207 0.8123 -0.0447 -0.0307 0.0271 402 CLA D C3D ? ? 1 +53495 C C3D B CLA DT . 0.1161 0.7203 0.8120 -0.0447 -0.0307 0.0272 402 CLA D C3D ? ? 1 +53496 C C4D A CLA DT . 0.1166 0.7193 0.8107 -0.0416 -0.0295 0.0285 402 CLA D C4D ? ? 1 +53497 C C4D B CLA DT . 0.1160 0.7187 0.8101 -0.0417 -0.0294 0.0286 402 CLA D C4D ? ? 1 +53498 C CMD A CLA DT . 0.1133 0.7227 0.8101 -0.0459 -0.0341 0.0237 402 CLA D CMD ? ? 1 +53499 C CMD B CLA DT . 0.1126 0.7220 0.8095 -0.0460 -0.0340 0.0238 402 CLA D CMD ? ? 1 +53500 C CAD A CLA DT . 0.1196 0.7219 0.8169 -0.0479 -0.0301 0.0275 402 CLA D CAD ? ? 1 +53501 C CAD B CLA DT . 0.1193 0.7217 0.8168 -0.0480 -0.0300 0.0276 402 CLA D CAD ? ? 1 +53502 O OBD A CLA DT . 0.1197 0.7237 0.8198 -0.0514 -0.0310 0.0263 402 CLA D OBD ? ? 1 +53503 O OBD B CLA DT . 0.1193 0.7235 0.8196 -0.0514 -0.0309 0.0264 402 CLA D OBD ? ? 1 +53504 C CBD A CLA DT . 0.1223 0.7206 0.8176 -0.0465 -0.0283 0.0296 402 CLA D CBD ? ? 1 +53505 C CBD B CLA DT . 0.1222 0.7207 0.8176 -0.0465 -0.0282 0.0297 402 CLA D CBD ? ? 1 +53506 C CGD A CLA DT . 0.1175 0.7205 0.8162 -0.0476 -0.0275 0.0314 402 CLA D CGD ? ? 1 +53507 C CGD B CLA DT . 0.1171 0.7205 0.8161 -0.0476 -0.0275 0.0314 402 CLA D CGD ? ? 1 +53508 O O1D A CLA DT . 0.1109 0.7194 0.8115 -0.0458 -0.0277 0.0323 402 CLA D O1D ? ? 1 +53509 O O1D B CLA DT . 0.1099 0.7189 0.8108 -0.0459 -0.0277 0.0323 402 CLA D O1D ? ? 1 +53510 O O2D A CLA DT . 0.1206 0.7216 0.8204 -0.0511 -0.0264 0.0318 402 CLA D O2D ? ? 1 +53511 O O2D B CLA DT . 0.1202 0.7213 0.8201 -0.0511 -0.0263 0.0319 402 CLA D O2D ? ? 1 +53512 C CED A CLA DT . 0.1165 0.7222 0.8196 -0.0522 -0.0255 0.0333 402 CLA D CED ? ? 1 +53513 C CED B CLA DT . 0.1165 0.7222 0.8196 -0.0522 -0.0254 0.0333 402 CLA D CED ? ? 1 +53514 C C1 A CLA DT . 0.1849 0.7423 0.8600 -0.0482 -0.0228 0.0312 402 CLA D C1 ? ? 1 +53515 C C1 B CLA DT . 0.1937 0.7508 0.8686 -0.0480 -0.0228 0.0313 402 CLA D C1 ? ? 1 +53516 C C2 A CLA DT . 0.1912 0.7473 0.8684 -0.0539 -0.0222 0.0303 402 CLA D C2 ? ? 1 +53517 C C2 B CLA DT . 0.2021 0.7578 0.8790 -0.0538 -0.0221 0.0304 402 CLA D C2 ? ? 1 +53518 C C3 A CLA DT . 0.1983 0.7519 0.8752 -0.0561 -0.0202 0.0321 402 CLA D C3 ? ? 1 +53519 C C3 B CLA DT . 0.2116 0.7646 0.8881 -0.0560 -0.0201 0.0322 402 CLA D C3 ? ? 1 +53520 C C4 A CLA DT . 0.1996 0.7512 0.8733 -0.0524 -0.0190 0.0350 402 CLA D C4 ? ? 1 +53521 C C4 B CLA DT . 0.2135 0.7642 0.8867 -0.0524 -0.0188 0.0352 402 CLA D C4 ? ? 1 +53522 C C5 A CLA DT . 0.2041 0.7570 0.8838 -0.0620 -0.0191 0.0311 402 CLA D C5 ? ? 1 +53523 C C5 B CLA DT . 0.2189 0.7711 0.8982 -0.0620 -0.0190 0.0312 402 CLA D C5 ? ? 1 +53524 C C6 A CLA DT . 0.2173 0.7592 0.8916 -0.0638 -0.0165 0.0324 402 CLA D C6 ? ? 1 +53525 C C6 B CLA DT . 0.2335 0.7747 0.9074 -0.0640 -0.0164 0.0324 402 CLA D C6 ? ? 1 +53526 C C7 A CLA DT . 0.2284 0.7609 0.8967 -0.0624 -0.0170 0.0311 402 CLA D C7 ? ? 1 +53527 C C7 B CLA DT . 0.2464 0.7781 0.9142 -0.0624 -0.0169 0.0312 402 CLA D C7 ? ? 1 +53528 C C8 A CLA DT . 0.2437 0.7631 0.9048 -0.0634 -0.0147 0.0322 402 CLA D C8 ? ? 1 +53529 C C8 B CLA DT . 0.2630 0.7817 0.9237 -0.0633 -0.0145 0.0323 402 CLA D C8 ? ? 1 +53530 C C9 A CLA DT . 0.2492 0.7632 0.9070 -0.0641 -0.0118 0.0351 402 CLA D C9 ? ? 1 +53531 C C9 B CLA DT . 0.2685 0.7821 0.9262 -0.0644 -0.0116 0.0352 402 CLA D C9 ? ? 1 +53532 C C10 A CLA DT . 0.2554 0.7666 0.9124 -0.0641 -0.0154 0.0297 402 CLA D C10 ? ? 1 +53533 C C10 B CLA DT . 0.2772 0.7875 0.9334 -0.0635 -0.0153 0.0300 402 CLA D C10 ? ? 1 +53534 C C11 A CLA DT . 0.2724 0.7703 0.9230 -0.0668 -0.0131 0.0300 402 CLA D C11 ? ? 1 +53535 C C11 B CLA DT . 0.2968 0.7942 0.9471 -0.0667 -0.0131 0.0301 402 CLA D C11 ? ? 1 +53536 C C12 A CLA DT . 0.2821 0.7744 0.9297 -0.0667 -0.0147 0.0272 402 CLA D C12 ? ? 1 +53537 C C12 B CLA DT . 0.3102 0.8024 0.9576 -0.0666 -0.0147 0.0271 402 CLA D C12 ? ? 1 +53538 C C13 A CLA DT . 0.3015 0.7792 0.9417 -0.0689 -0.0127 0.0269 402 CLA D C13 ? ? 1 +53539 C C13 B CLA DT . 0.3347 0.8122 0.9746 -0.0686 -0.0128 0.0269 402 CLA D C13 ? ? 1 +53540 C C14 A CLA DT . 0.3109 0.7790 0.9427 -0.0634 -0.0115 0.0296 402 CLA D C14 ? ? 1 +53541 C C14 B CLA DT . 0.3472 0.8156 0.9789 -0.0628 -0.0117 0.0295 402 CLA D C14 ? ? 1 +53542 C C15 A CLA DT . 0.3096 0.7839 0.9485 -0.0702 -0.0146 0.0233 402 CLA D C15 ? ? 1 +53543 C C15 B CLA DT . 0.3464 0.8202 0.9850 -0.0700 -0.0146 0.0234 402 CLA D C15 ? ? 1 +53544 C C16 A CLA DT . 0.3117 0.7853 0.9471 -0.0640 -0.0166 0.0225 402 CLA D C16 ? ? 1 +53545 C C16 B CLA DT . 0.3505 0.8241 0.9857 -0.0637 -0.0167 0.0225 402 CLA D C16 ? ? 1 +53546 C C17 A CLA DT . 0.3190 0.7905 0.9544 -0.0671 -0.0183 0.0186 402 CLA D C17 ? ? 1 +53547 C C17 B CLA DT . 0.3620 0.8330 0.9969 -0.0668 -0.0184 0.0186 402 CLA D C17 ? ? 1 +53548 C C18 A CLA DT . 0.3206 0.7913 0.9529 -0.0628 -0.0205 0.0166 402 CLA D C18 ? ? 1 +53549 C C18 B CLA DT . 0.3645 0.8346 0.9962 -0.0623 -0.0204 0.0166 402 CLA D C18 ? ? 1 +53550 C C19 A CLA DT . 0.3100 0.7904 0.9450 -0.0573 -0.0220 0.0171 402 CLA D C19 ? ? 1 +53551 C C19 B CLA DT . 0.3540 0.8338 0.9884 -0.0568 -0.0218 0.0173 402 CLA D C19 ? ? 1 +53552 C C20 A CLA DT . 0.3352 0.7934 0.9604 -0.0638 -0.0205 0.0141 402 CLA D C20 ? ? 1 +53553 C C20 B CLA DT . 0.3809 0.8386 1.0056 -0.0633 -0.0205 0.0142 402 CLA D C20 ? ? 1 +53554 CA CA . CA DU . 0.8717 1.3257 1.4060 -0.1751 0.2985 0.0216 301 CA O CA ? ? 1 +53555 C C1 . GOL DV . 0.5196 1.1400 1.1761 -0.0113 -0.0222 0.0349 417 GOL a C1 ? ? 1 +53556 O O1 . GOL DV . 0.4583 1.0725 1.1106 -0.0137 -0.0226 0.0346 417 GOL a O1 ? ? 1 +53557 C C2 . GOL DV . 0.5388 1.1667 1.2022 -0.0128 -0.0227 0.0356 417 GOL a C2 ? ? 1 +53558 O O2 . GOL DV . 0.5582 1.1879 1.2231 -0.0157 -0.0226 0.0356 417 GOL a O2 ? ? 1 +53559 C C3 . GOL DV . 0.6020 1.2359 1.2700 -0.0101 -0.0222 0.0358 417 GOL a C3 ? ? 1 +53560 O O3 . GOL DV . 0.6615 1.3016 1.3356 -0.0114 -0.0227 0.0364 417 GOL a O3 ? ? 1 +53561 C C1 . HTG DW . 0.4213 1.2146 1.2812 -0.0769 0.0296 -0.0135 625 HTG b C1 ? ? 1 +53562 S S1 . HTG DW . 0.4226 1.2228 1.2868 -0.0691 0.0223 -0.0137 625 HTG b S1 ? ? 1 +53563 C C2 . HTG DW . 0.4221 1.2258 1.2942 -0.0810 0.0346 -0.0174 625 HTG b C2 ? ? 1 +53564 O O2 . HTG DW . 0.4032 1.2191 1.2875 -0.0811 0.0302 -0.0208 625 HTG b O2 ? ? 1 +53565 C C3 . HTG DW . 0.4372 1.2335 1.3044 -0.0879 0.0405 -0.0170 625 HTG b C3 ? ? 1 +53566 O O3 . HTG DW . 0.4302 1.2358 1.3088 -0.0924 0.0457 -0.0206 625 HTG b O3 ? ? 1 +53567 C C4 . HTG DW . 0.4554 1.2387 1.3092 -0.0873 0.0448 -0.0134 625 HTG b C4 ? ? 1 +53568 O O4 . HTG DW . 0.4742 1.2486 1.3212 -0.0931 0.0492 -0.0125 625 HTG b O4 ? ? 1 +53569 C C5 . HTG DW . 0.4503 1.2250 1.2933 -0.0819 0.0395 -0.0097 625 HTG b C5 ? ? 1 +53570 O O5 . HTG DW . 0.4180 1.2005 1.2669 -0.0763 0.0337 -0.0105 625 HTG b O5 ? ? 1 +53571 C C6 . HTG DW . 0.4729 1.2379 1.3053 -0.0799 0.0433 -0.0070 625 HTG b C6 ? ? 1 +53572 O O6 . HTG DW . 0.5018 1.2562 1.3249 -0.0843 0.0480 -0.0053 625 HTG b O6 ? ? 1 +53573 C C1' . HTG DW . 0.3762 1.1620 1.2245 -0.0657 0.0186 -0.0087 625 HTG b C1' ? ? 1 +53574 C C2' . HTG DW . 0.3690 1.1564 1.2170 -0.0590 0.0146 -0.0079 625 HTG b C2' ? ? 1 +53575 C C3' . HTG DW . 0.3619 1.1495 1.2087 -0.0562 0.0074 -0.0072 625 HTG b C3' ? ? 1 +53576 C C4' . HTG DW . 0.3637 1.1483 1.2059 -0.0500 0.0040 -0.0052 625 HTG b C4' ? ? 1 +53577 C C5' . HTG DW . 0.3757 1.1614 1.2176 -0.0469 -0.0029 -0.0047 625 HTG b C5' ? ? 1 +53578 C C6' . HTG DW . 0.4009 1.1859 1.2407 -0.0406 -0.0060 -0.0035 625 HTG b C6' ? ? 1 +53579 C C7' . HTG DW . 0.4248 1.2136 1.2669 -0.0372 -0.0125 -0.0040 625 HTG b C7' ? ? 1 +53580 C C1 . HTG DX . 1.3173 1.6320 1.5986 0.2916 0.1429 -0.0682 522 HTG c C1 ? ? 1 +53581 S S1 . HTG DX . 1.3305 1.6486 1.6105 0.2784 0.1430 -0.0659 522 HTG c S1 ? ? 1 +53582 C C2 . HTG DX . 1.3094 1.6205 1.5940 0.2887 0.1343 -0.0662 522 HTG c C2 ? ? 1 +53583 O O2 . HTG DX . 1.3172 1.6067 1.5836 0.2826 0.1290 -0.0663 522 HTG c O2 ? ? 1 +53584 C C3 . HTG DX . 1.3012 1.6117 1.5891 0.2997 0.1335 -0.0676 522 HTG c C3 ? ? 1 +53585 O O3 . HTG DX . 1.2692 1.5777 1.5610 0.2969 0.1258 -0.0654 522 HTG c O3 ? ? 1 +53586 C C4 . HTG DX . 1.2766 1.6096 1.5831 0.3070 0.1394 -0.0682 522 HTG c C4 ? ? 1 +53587 O O4 . HTG DX . 1.2740 1.6064 1.5831 0.3181 0.1387 -0.0697 522 HTG c O4 ? ? 1 +53588 C C5 . HTG DX . 1.2738 1.6085 1.5755 0.3095 0.1481 -0.0703 522 HTG c C5 ? ? 1 +53589 O O5 . HTG DX . 1.2729 1.6080 1.5715 0.2987 0.1487 -0.0687 522 HTG c O5 ? ? 1 +53590 C C6 . HTG DX . 1.2516 1.6094 1.5724 0.3162 0.1548 -0.0711 522 HTG c C6 ? ? 1 +53591 O O6 . HTG DX . 1.2685 1.6216 1.5811 0.3249 0.1622 -0.0746 522 HTG c O6 ? ? 1 +53592 C C1' . HTG DX . 1.3133 1.6202 1.5757 0.2818 0.1512 -0.0691 522 HTG c C1' ? ? 1 +53593 C C2' . HTG DX . 1.3097 1.6020 1.5562 0.2725 0.1482 -0.0687 522 HTG c C2' ? ? 1 +53594 C C3' . HTG DX . 1.2993 1.5940 1.5406 0.2706 0.1550 -0.0692 522 HTG c C3' ? ? 1 +53595 C C4' . HTG DX . 1.2886 1.5743 1.5194 0.2600 0.1510 -0.0680 522 HTG c C4' ? ? 1 +53596 C C5' . HTG DX . 1.2842 1.5679 1.5054 0.2587 0.1573 -0.0688 522 HTG c C5' ? ? 1 +53597 C C6' . HTG DX . 1.2710 1.5511 1.4862 0.2479 0.1533 -0.0670 522 HTG c C6' ? ? 1 +53598 C C7' . HTG DX . 1.2354 1.5343 1.4647 0.2428 0.1570 -0.0640 522 HTG c C7' ? ? 1 +53599 C C1A . DGD DY . 0.3477 0.9404 1.0383 -0.1519 -0.0475 -0.0534 102 DGD h C1A ? ? 1 +53600 C C2A . DGD DY . 0.3611 0.9529 1.0482 -0.1516 -0.0536 -0.0574 102 DGD h C2A ? ? 1 +53601 C C3A . DGD DY . 0.3575 0.9623 1.0505 -0.1463 -0.0598 -0.0578 102 DGD h C3A ? ? 1 +53602 C C4A . DGD DY . 0.3728 0.9746 1.0594 -0.1447 -0.0658 -0.0610 102 DGD h C4A ? ? 1 +53603 C C5A . DGD DY . 0.3752 0.9877 1.0650 -0.1382 -0.0716 -0.0604 102 DGD h C5A ? ? 1 +53604 C C6A . DGD DY . 0.3976 1.0082 1.0822 -0.1376 -0.0780 -0.0645 102 DGD h C6A ? ? 1 +53605 C C7A . DGD DY . 0.4061 1.0236 1.0898 -0.1301 -0.0833 -0.0631 102 DGD h C7A ? ? 1 +53606 C C8A . DGD DY . 0.4238 1.0396 1.1022 -0.1295 -0.0899 -0.0674 102 DGD h C8A ? ? 1 +53607 C C9A . DGD DY . 0.4249 1.0370 1.0927 -0.1210 -0.0927 -0.0643 102 DGD h C9A ? ? 1 +53608 C CAA . DGD DY . 0.4141 1.0392 1.0893 -0.1160 -0.0961 -0.0628 102 DGD h CAA ? ? 1 +53609 C CBA . DGD DY . 0.4150 1.0377 1.0806 -0.1091 -0.1009 -0.0620 102 DGD h CBA ? ? 1 +53610 C CCA . DGD DY . 0.4116 1.0319 1.0715 -0.1022 -0.0979 -0.0558 102 DGD h CCA ? ? 1 +53611 C CDA . DGD DY . 0.3992 1.0319 1.0674 -0.0982 -0.1003 -0.0541 102 DGD h CDA ? ? 1 +53612 C CEA . DGD DY . 0.3927 1.0218 1.0512 -0.0904 -0.1010 -0.0500 102 DGD h CEA ? ? 1 +53613 C CFA . DGD DY . 0.3786 1.0176 1.0445 -0.0865 -0.1011 -0.0469 102 DGD h CFA ? ? 1 +53614 C CGA . DGD DY . 0.3694 1.0075 1.0382 -0.0867 -0.0943 -0.0424 102 DGD h CGA ? ? 1 +53615 O O1A . DGD DY . 0.3322 0.9351 1.0296 -0.1482 -0.0479 -0.0511 102 DGD h O1A ? ? 1 +53616 C C1B . DGD DY . 0.3587 0.9751 1.0793 -0.1636 -0.0421 -0.0573 102 DGD h C1B ? ? 1 +53617 C C2B . DGD DY . 0.3574 0.9918 1.0914 -0.1613 -0.0461 -0.0585 102 DGD h C2B ? ? 1 +53618 C C3B . DGD DY . 0.3587 0.9946 1.0898 -0.1535 -0.0454 -0.0529 102 DGD h C3B ? ? 1 +53619 C C4B . DGD DY . 0.3593 1.0120 1.1035 -0.1510 -0.0479 -0.0533 102 DGD h C4B ? ? 1 +53620 C C5B . DGD DY . 0.3660 1.0251 1.1099 -0.1449 -0.0553 -0.0540 102 DGD h C5B ? ? 1 +53621 C C6B . DGD DY . 0.3710 1.0185 1.1002 -0.1387 -0.0562 -0.0502 102 DGD h C6B ? ? 1 +53622 C C7B . DGD DY . 0.3783 1.0328 1.1074 -0.1320 -0.0626 -0.0500 102 DGD h C7B ? ? 1 +53623 C C8B . DGD DY . 0.3978 1.0410 1.1128 -0.1277 -0.0648 -0.0485 102 DGD h C8B ? ? 1 +53624 C C9B . DGD DY . 0.4076 1.0374 1.1114 -0.1259 -0.0593 -0.0439 102 DGD h C9B ? ? 1 +53625 C CAB . DGD DY . 0.4107 1.0423 1.1124 -0.1190 -0.0583 -0.0387 102 DGD h CAB ? ? 1 +53626 C CBB . DGD DY . 0.4296 1.0477 1.1194 -0.1167 -0.0540 -0.0347 102 DGD h CBB ? ? 1 +53627 C CCB . DGD DY . 0.4310 1.0503 1.1215 -0.1131 -0.0501 -0.0298 102 DGD h CCB ? ? 1 +53628 C CDB . DGD DY . 0.4463 1.0551 1.1319 -0.1164 -0.0441 -0.0283 102 DGD h CDB ? ? 1 +53629 C CEB . DGD DY . 0.4310 1.0369 1.1132 -0.1123 -0.0402 -0.0232 102 DGD h CEB ? ? 1 +53630 C CFB . DGD DY . 0.4326 1.0315 1.1044 -0.1061 -0.0414 -0.0205 102 DGD h CFB ? ? 1 +53631 C CGB . DGD DY . 0.4335 1.0418 1.1091 -0.1005 -0.0445 -0.0186 102 DGD h CGB ? ? 1 +53632 O O1B . DGD DY . 0.3629 0.9726 1.0787 -0.1668 -0.0441 -0.0606 102 DGD h O1B ? ? 1 +53633 O O1G . DGD DY . 0.3548 0.9360 1.0404 -0.1565 -0.0410 -0.0523 102 DGD h O1G ? ? 1 +53634 C C1G . DGD DY . 0.3534 0.9353 1.0413 -0.1560 -0.0355 -0.0484 102 DGD h C1G ? ? 1 +53635 C C2G . DGD DY . 0.3570 0.9470 1.0574 -0.1635 -0.0326 -0.0512 102 DGD h C2G ? ? 1 +53636 O O2G . DGD DY . 0.3495 0.9565 1.0626 -0.1616 -0.0360 -0.0521 102 DGD h O2G ? ? 1 +53637 C C3G . DGD DY . 0.3598 0.9433 1.0576 -0.1649 -0.0253 -0.0475 102 DGD h C3G ? ? 1 +53638 O O3G . DGD DY . 0.3793 0.9465 1.0663 -0.1687 -0.0216 -0.0476 102 DGD h O3G ? ? 1 +53639 C C1D . DGD DY . 0.3883 0.9438 1.0645 -0.1649 -0.0170 -0.0425 102 DGD h C1D ? ? 1 +53640 C C2D . DGD DY . 0.4061 0.9433 1.0688 -0.1671 -0.0145 -0.0426 102 DGD h C2D ? ? 1 +53641 O O2D . DGD DY . 0.4109 0.9447 1.0674 -0.1640 -0.0197 -0.0442 102 DGD h O2D ? ? 1 +53642 C C3D . DGD DY . 0.4117 0.9374 1.0633 -0.1624 -0.0101 -0.0371 102 DGD h C3D ? ? 1 +53643 O O3D . DGD DY . 0.4280 0.9360 1.0666 -0.1641 -0.0076 -0.0372 102 DGD h O3D ? ? 1 +53644 C C4D . DGD DY . 0.4076 0.9369 1.0649 -0.1647 -0.0048 -0.0350 102 DGD h C4D ? ? 1 +53645 O O4D . DGD DY . 0.4168 0.9404 1.0753 -0.1735 -0.0005 -0.0379 102 DGD h O4D ? ? 1 +53646 C C5D . DGD DY . 0.3963 0.9445 1.0678 -0.1629 -0.0076 -0.0354 102 DGD h C5D ? ? 1 +53647 O O5D . DGD DY . 0.4323 0.9838 1.1150 -0.1743 0.0012 -0.0372 102 DGD h O5D ? ? 1 +53648 C C6D . DGD DY . 0.4013 0.9540 1.0790 -0.1651 -0.0024 -0.0335 102 DGD h C6D ? ? 1 +53649 O O6D . DGD DY . 0.3921 0.9504 1.0737 -0.1675 -0.0116 -0.0407 102 DGD h O6D ? ? 1 +53650 C C1E . DGD DY . 0.4436 1.0023 1.1349 -0.1774 0.0057 -0.0366 102 DGD h C1E ? ? 1 +53651 C C2E . DGD DY . 0.4592 1.0184 1.1573 -0.1875 0.0093 -0.0410 102 DGD h C2E ? ? 1 +53652 O O2E . DGD DY . 0.4619 1.0296 1.1682 -0.1909 0.0041 -0.0464 102 DGD h O2E ? ? 1 +53653 C C3E . DGD DY . 0.4801 1.0199 1.1651 -0.1917 0.0145 -0.0403 102 DGD h C3E ? ? 1 +53654 O O3E . DGD DY . 0.4888 1.0293 1.1806 -0.2016 0.0185 -0.0443 102 DGD h O3E ? ? 1 +53655 C C4E . DGD DY . 0.4854 1.0149 1.1603 -0.1877 0.0195 -0.0347 102 DGD h C4E ? ? 1 +53656 O O4E . DGD DY . 0.4778 1.0155 1.1617 -0.1907 0.0242 -0.0342 102 DGD h O4E ? ? 1 +53657 C C5E . DGD DY . 0.4744 1.0048 1.1436 -0.1775 0.0150 -0.0309 102 DGD h C5E ? ? 1 +53658 O O6E . DGD DY . 0.4544 1.0029 1.1360 -0.1740 0.0105 -0.0315 102 DGD h O6E ? ? 1 +53659 C C6E . DGD DY . 0.4739 0.9935 1.1320 -0.1727 0.0191 -0.0254 102 DGD h C6E ? ? 1 +53660 O O5E . DGD DY . 0.4672 0.9983 1.1335 -0.1703 0.0201 -0.0235 102 DGD h O5E ? ? 1 +53661 MG MG . CLA DZ . 0.0970 0.9273 0.9916 -0.0693 0.0398 0.0095 606 CLA B MG ? ? 1 +53662 C CHA . CLA DZ . 0.0945 0.9290 0.9826 -0.0521 0.0343 0.0096 606 CLA B CHA ? ? 1 +53663 C CHB . CLA DZ . 0.0972 0.8977 0.9599 -0.0649 0.0312 0.0169 606 CLA B CHB ? ? 1 +53664 C CHC . CLA DZ . 0.1115 0.9232 0.9971 -0.0851 0.0532 0.0140 606 CLA B CHC ? ? 1 +53665 C CHD . CLA DZ . 0.1014 0.9573 1.0225 -0.0732 0.0549 0.0042 606 CLA B CHD ? ? 1 +53666 N NA . CLA DZ . 0.0966 0.9165 0.9755 -0.0607 0.0340 0.0126 606 CLA B NA ? ? 1 +53667 C C1A . CLA DZ . 0.0956 0.9186 0.9739 -0.0546 0.0319 0.0121 606 CLA B C1A ? ? 1 +53668 C C2A . CLA DZ . 0.0960 0.9103 0.9631 -0.0499 0.0261 0.0141 606 CLA B C2A ? ? 1 +53669 C C3A . CLA DZ . 0.0939 0.8986 0.9540 -0.0541 0.0251 0.0162 606 CLA B C3A ? ? 1 +53670 C C4A . CLA DZ . 0.0969 0.9054 0.9645 -0.0604 0.0304 0.0152 606 CLA B C4A ? ? 1 +53671 C CMA . CLA DZ . 0.0892 0.8948 0.9507 -0.0531 0.0179 0.0149 606 CLA B CMA ? ? 1 +53672 C CAA . CLA DZ . 0.1012 0.9094 0.9586 -0.0452 0.0276 0.0162 606 CLA B CAA ? ? 1 +53673 C CBA . CLA DZ . 0.1123 0.9139 0.9636 -0.0481 0.0347 0.0187 606 CLA B CBA ? ? 1 +53674 C CGA . CLA DZ . 0.1226 0.9102 0.9594 -0.0480 0.0341 0.0223 606 CLA B CGA ? ? 1 +53675 O O1A . CLA DZ . 0.1182 0.9002 0.9489 -0.0464 0.0288 0.0233 606 CLA B O1A ? ? 1 +53676 O O2A . CLA DZ . 0.1436 0.9241 0.9731 -0.0500 0.0402 0.0247 606 CLA B O2A ? ? 1 +53677 N NB . CLA DZ . 0.1028 0.9134 0.9806 -0.0739 0.0419 0.0145 606 CLA B NB ? ? 1 +53678 C C1B . CLA DZ . 0.1011 0.9016 0.9676 -0.0713 0.0371 0.0168 606 CLA B C1B ? ? 1 +53679 C C2B . CLA DZ . 0.1055 0.8936 0.9619 -0.0747 0.0387 0.0198 606 CLA B C2B ? ? 1 +53680 C C3B . CLA DZ . 0.1112 0.9016 0.9735 -0.0806 0.0452 0.0192 606 CLA B C3B ? ? 1 +53681 C C4B . CLA DZ . 0.1072 0.9120 0.9831 -0.0800 0.0467 0.0157 606 CLA B C4B ? ? 1 +53682 C CMB . CLA DZ . 0.1049 0.8809 0.9484 -0.0728 0.0348 0.0227 606 CLA B CMB ? ? 1 +53683 C CAB . CLA DZ . 0.1189 0.8975 0.9726 -0.0851 0.0485 0.0219 606 CLA B CAB ? ? 1 +53684 C CBB . CLA DZ . 0.1274 0.9048 0.9831 -0.0905 0.0550 0.0221 606 CLA B CBB ? ? 1 +53685 N NC . CLA DZ . 0.1047 0.9377 1.0061 -0.0774 0.0513 0.0093 606 CLA B NC ? ? 1 +53686 C C1C . CLA DZ . 0.1097 0.9351 1.0074 -0.0837 0.0557 0.0110 606 CLA B C1C ? ? 1 +53687 C C2C . CLA DZ . 0.1133 0.9435 1.0184 -0.0888 0.0641 0.0101 606 CLA B C2C ? ? 1 +53688 C C3C . CLA DZ . 0.1120 0.9558 1.0280 -0.0853 0.0646 0.0071 606 CLA B C3C ? ? 1 +53689 C C4C . CLA DZ . 0.1051 0.9495 1.0182 -0.0786 0.0563 0.0068 606 CLA B C4C ? ? 1 +53690 C CMC . CLA DZ . 0.1207 0.9438 1.0229 -0.0958 0.0708 0.0116 606 CLA B CMC ? ? 1 +53691 C CAC . CLA DZ . 0.1167 0.9715 1.0448 -0.0882 0.0720 0.0047 606 CLA B CAC ? ? 1 +53692 C CBC . CLA DZ . 0.1221 0.9725 1.0427 -0.0855 0.0783 0.0070 606 CLA B CBC ? ? 1 +53693 N ND . CLA DZ . 0.0978 0.9380 0.9982 -0.0641 0.0446 0.0082 606 CLA B ND ? ? 1 +53694 C C1D . CLA DZ . 0.0979 0.9518 1.0129 -0.0659 0.0490 0.0049 606 CLA B C1D ? ? 1 +53695 C C2D . CLA DZ . 0.0965 0.9592 1.0165 -0.0595 0.0481 0.0030 606 CLA B C2D ? ? 1 +53696 C C3D . CLA DZ . 0.0948 0.9488 1.0033 -0.0541 0.0417 0.0050 606 CLA B C3D ? ? 1 +53697 C C4D . CLA DZ . 0.0952 0.9384 0.9948 -0.0572 0.0398 0.0075 606 CLA B C4D ? ? 1 +53698 C CMD . CLA DZ . 0.0975 0.9742 1.0302 -0.0576 0.0514 -0.0002 606 CLA B CMD ? ? 1 +53699 C CAD . CLA DZ . 0.0936 0.9467 0.9971 -0.0465 0.0367 0.0052 606 CLA B CAD ? ? 1 +53700 O OBD . CLA DZ . 0.0917 0.9530 1.0008 -0.0417 0.0367 0.0032 606 CLA B OBD ? ? 1 +53701 C CBD . CLA DZ . 0.0939 0.9341 0.9838 -0.0451 0.0318 0.0082 606 CLA B CBD ? ? 1 +53702 C CGD . CLA DZ . 0.0916 0.9358 0.9843 -0.0411 0.0238 0.0062 606 CLA B CGD ? ? 1 +53703 O O1D . CLA DZ . 0.0909 0.9458 0.9952 -0.0415 0.0211 0.0029 606 CLA B O1D ? ? 1 +53704 O O2D . CLA DZ . 0.0939 0.9299 0.9758 -0.0361 0.0187 0.0080 606 CLA B O2D ? ? 1 +53705 C CED . CLA DZ . 0.0918 0.9323 0.9770 -0.0321 0.0117 0.0059 606 CLA B CED ? ? 1 +53706 C C1 . CLA DZ . 0.1606 0.9285 0.9769 -0.0497 0.0392 0.0279 606 CLA B C1 ? ? 1 +53707 C C2 . CLA DZ . 0.1841 0.9465 0.9939 -0.0506 0.0458 0.0299 606 CLA B C2 ? ? 1 +53708 C C3 . CLA DZ . 0.2158 0.9667 1.0131 -0.0506 0.0466 0.0329 606 CLA B C3 ? ? 1 +53709 C C4 . CLA DZ . 0.2118 0.9548 1.0014 -0.0496 0.0409 0.0344 606 CLA B C4 ? ? 1 +53710 C C5 . CLA DZ . 0.2557 1.0016 1.0467 -0.0513 0.0533 0.0346 606 CLA B C5 ? ? 1 +53711 C C6 . CLA DZ . 0.2879 1.0322 1.0731 -0.0463 0.0539 0.0349 606 CLA B C6 ? ? 1 +53712 C C7 . CLA DZ . 0.3345 1.0740 1.1138 -0.0476 0.0612 0.0364 606 CLA B C7 ? ? 1 +53713 C C8 . CLA DZ . 0.3891 1.1214 1.1570 -0.0433 0.0618 0.0378 606 CLA B C8 ? ? 1 +53714 C C9 . CLA DZ . 0.3916 1.1223 1.1554 -0.0383 0.0557 0.0376 606 CLA B C9 ? ? 1 +53715 C C10 . CLA DZ . 0.4754 1.2033 1.2371 -0.0438 0.0692 0.0391 606 CLA B C10 ? ? 1 +53716 C C11 . CLA DZ . 0.5722 1.3098 1.3434 -0.0440 0.0751 0.0369 606 CLA B C11 ? ? 1 +53717 C C12 . CLA DZ . 0.6639 1.3959 1.4260 -0.0420 0.0807 0.0381 606 CLA B C12 ? ? 1 +53718 C C13 . CLA DZ . 0.7496 1.4818 1.5132 -0.0463 0.0893 0.0386 606 CLA B C13 ? ? 1 +53719 C C14 . CLA DZ . 0.7389 1.4855 1.5186 -0.0476 0.0929 0.0355 606 CLA B C14 ? ? 1 +53720 C C15 . CLA DZ . 0.8347 1.5577 1.5853 -0.0443 0.0943 0.0405 606 CLA B C15 ? ? 1 +53721 C C16 . CLA DZ . 0.9019 1.6104 1.6361 -0.0432 0.0914 0.0436 606 CLA B C16 ? ? 1 +53722 C C17 . CLA DZ . 0.9613 1.6633 1.6844 -0.0396 0.0949 0.0444 606 CLA B C17 ? ? 1 +53723 C C18 . CLA DZ . 1.0149 1.7023 1.7207 -0.0387 0.0948 0.0474 606 CLA B C18 ? ? 1 +53724 C C19 . CLA DZ . 1.0744 1.7550 1.7708 -0.0390 0.1027 0.0488 606 CLA B C19 ? ? 1 +53725 C C20 . CLA DZ . 1.0159 1.6957 1.7141 -0.0378 0.0873 0.0489 606 CLA B C20 ? ? 1 +53726 C C1 . LMG EA . 0.5635 1.3679 1.4239 -0.0042 0.0628 -0.0221 501 LMG C C1 ? ? 1 +53727 O O1 . LMG EA . 0.5413 1.3521 1.4082 0.0023 0.0584 -0.0236 501 LMG C O1 ? ? 1 +53728 C C2 . LMG EA . 0.5431 1.3578 1.4142 -0.0100 0.0649 -0.0238 501 LMG C C2 ? ? 1 +53729 O O2 . LMG EA . 0.5082 1.3267 1.3835 -0.0102 0.0577 -0.0233 501 LMG C O2 ? ? 1 +53730 C C3 . LMG EA . 0.5701 1.3762 1.4326 -0.0168 0.0703 -0.0220 501 LMG C C3 ? ? 1 +53731 O O3 . LMG EA . 0.5566 1.3724 1.4296 -0.0222 0.0739 -0.0241 501 LMG C O3 ? ? 1 +53732 C C4 . LMG EA . 0.6180 1.4152 1.4708 -0.0159 0.0767 -0.0215 501 LMG C C4 ? ? 1 +53733 O O4 . LMG EA . 0.6168 1.4234 1.4791 -0.0154 0.0833 -0.0249 501 LMG C O4 ? ? 1 +53734 C C5 . LMG EA . 0.6566 1.4452 1.5002 -0.0097 0.0726 -0.0199 501 LMG C C5 ? ? 1 +53735 O O5 . LMG EA . 0.6641 1.4316 1.4855 -0.0041 0.0720 -0.0168 501 LMG C O5 ? ? 1 +53736 C C6 . LMG EA . 0.6811 1.4592 1.5133 -0.0081 0.0774 -0.0192 501 LMG C C6 ? ? 1 +53737 O O6 . LMG EA . 0.5986 1.3977 1.4532 -0.0042 0.0697 -0.0224 501 LMG C O6 ? ? 1 +53738 C C7 . LMG EA . 0.5480 1.3470 1.4031 0.0066 0.0541 -0.0210 501 LMG C C7 ? ? 1 +53739 C C8 . LMG EA . 0.5478 1.3511 1.4075 0.0140 0.0502 -0.0224 501 LMG C C8 ? ? 1 +53740 C C9 . LMG EA . 0.5664 1.3844 1.4407 0.0166 0.0533 -0.0266 501 LMG C C9 ? ? 1 +53741 O O7 . LMG EA . 0.5129 1.3164 1.3731 0.0151 0.0423 -0.0210 501 LMG C O7 ? ? 1 +53742 C C10 . LMG EA . 0.5139 1.3070 1.3641 0.0186 0.0377 -0.0185 501 LMG C C10 ? ? 1 +53743 O O9 . LMG EA . 0.5270 1.3105 1.3678 0.0208 0.0394 -0.0175 501 LMG C O9 ? ? 1 +53744 C C11 . LMG EA . 0.5108 1.3055 1.3627 0.0192 0.0303 -0.0173 501 LMG C C11 ? ? 1 +53745 C C12 . LMG EA . 0.5008 1.2875 1.3454 0.0248 0.0251 -0.0156 501 LMG C C12 ? ? 1 +53746 C C13 . LMG EA . 0.4887 1.2608 1.3191 0.0224 0.0235 -0.0119 501 LMG C C13 ? ? 1 +53747 C C14 . LMG EA . 0.4823 1.2521 1.3104 0.0208 0.0174 -0.0097 501 LMG C C14 ? ? 1 +53748 C C15 . LMG EA . 0.4661 1.2253 1.2847 0.0244 0.0127 -0.0073 501 LMG C C15 ? ? 1 +53749 C C16 . LMG EA . 0.4443 1.1908 1.2505 0.0209 0.0132 -0.0043 501 LMG C C16 ? ? 1 +53750 C C17 . LMG EA . 0.4448 1.1804 1.2415 0.0247 0.0103 -0.0026 501 LMG C C17 ? ? 1 +53751 C C18 . LMG EA . 0.4481 1.1839 1.2456 0.0279 0.0043 -0.0016 501 LMG C C18 ? ? 1 +53752 C C19 . LMG EA . 0.4613 1.1859 1.2493 0.0315 0.0017 0.0000 501 LMG C C19 ? ? 1 +53753 C C20 . LMG EA . 0.4722 1.1991 1.2633 0.0384 -0.0009 -0.0012 501 LMG C C20 ? ? 1 +53754 C C21 . LMG EA . 0.5046 1.2332 1.2978 0.0425 0.0028 -0.0036 501 LMG C C21 ? ? 1 +53755 C C22 . LMG EA . 0.5408 1.2603 1.3269 0.0482 0.0009 -0.0031 501 LMG C C22 ? ? 1 +53756 C C23 . LMG EA . 0.5632 1.2834 1.3506 0.0529 -0.0047 -0.0026 501 LMG C C23 ? ? 1 +53757 C C24 . LMG EA . 0.5910 1.3006 1.3701 0.0583 -0.0064 -0.0018 501 LMG C C24 ? ? 1 +53758 C C25 . LMG EA . 0.5900 1.2855 1.3569 0.0553 -0.0076 0.0012 501 LMG C C25 ? ? 1 +53759 O O8 . LMG EA . 0.5764 1.3930 1.4496 0.0241 0.0521 -0.0275 501 LMG C O8 ? ? 1 +53760 C C28 . LMG EA . 0.6024 1.4291 1.4854 0.0271 0.0564 -0.0310 501 LMG C C28 ? ? 1 +53761 O O10 . LMG EA . 0.5924 1.4296 1.4857 0.0236 0.0611 -0.0334 501 LMG C O10 ? ? 1 +53762 C C29 . LMG EA . 0.6079 1.4309 1.4876 0.0352 0.0545 -0.0314 501 LMG C C29 ? ? 1 +53763 C C30 . LMG EA . 0.5935 1.4107 1.4680 0.0391 0.0461 -0.0293 501 LMG C C30 ? ? 1 +53764 C C31 . LMG EA . 0.5867 1.3956 1.4536 0.0463 0.0448 -0.0289 501 LMG C C31 ? ? 1 +53765 C C32 . LMG EA . 0.5740 1.3655 1.4241 0.0450 0.0439 -0.0254 501 LMG C C32 ? ? 1 +53766 C C33 . LMG EA . 0.5669 1.3498 1.4096 0.0520 0.0411 -0.0249 501 LMG C C33 ? ? 1 +53767 C C34 . LMG EA . 0.5462 1.3135 1.3742 0.0508 0.0373 -0.0212 501 LMG C C34 ? ? 1 +53768 C C35 . LMG EA . 0.5407 1.3008 1.3631 0.0578 0.0332 -0.0207 501 LMG C C35 ? ? 1 +53769 C C36 . LMG EA . 0.5129 1.2577 1.3214 0.0567 0.0295 -0.0173 501 LMG C C36 ? ? 1 +53770 C C37 . LMG EA . 0.5085 1.2449 1.3104 0.0635 0.0270 -0.0172 501 LMG C C37 ? ? 1 +53771 C C38 . LMG EA . 0.4948 1.2162 1.2834 0.0623 0.0233 -0.0140 501 LMG C C38 ? ? 1 +53772 C C39 . LMG EA . 0.4891 1.2094 1.2777 0.0645 0.0165 -0.0123 501 LMG C C39 ? ? 1 +53773 C C40 . LMG EA . 0.4929 1.1982 1.2685 0.0634 0.0133 -0.0093 501 LMG C C40 ? ? 1 +53774 C C41 . LMG EA . 0.4918 1.1962 1.2671 0.0633 0.0073 -0.0072 501 LMG C C41 ? ? 1 +53775 C C42 . LMG EA . 0.5058 1.2056 1.2784 0.0702 0.0033 -0.0070 501 LMG C C42 ? ? 1 +53776 C C43 . LMG EA . 0.5219 1.2128 1.2871 0.0692 -0.0018 -0.0039 501 LMG C C43 ? ? 1 +53777 MG MG . CLA EB . 0.2541 0.7877 0.9890 -0.1597 -0.0031 -0.0046 403 CLA D MG ? ? 1 +53778 C CHA . CLA EB . 0.2316 0.8025 0.9920 -0.1592 -0.0147 -0.0128 403 CLA D CHA ? ? 1 +53779 C CHB . CLA EB . 0.2371 0.7873 0.9792 -0.1546 0.0037 0.0034 403 CLA D CHB ? ? 1 +53780 C CHC . CLA EB . 0.2844 0.7805 0.9978 -0.1659 0.0109 0.0022 403 CLA D CHC ? ? 1 +53781 C CHD . CLA EB . 0.2782 0.7948 1.0098 -0.1712 -0.0082 -0.0151 403 CLA D CHD ? ? 1 +53782 N NA . CLA EB . 0.2382 0.7951 0.9882 -0.1584 -0.0045 -0.0048 403 CLA D NA ? ? 1 +53783 C C1A . CLA EB . 0.2316 0.8015 0.9902 -0.1577 -0.0094 -0.0080 403 CLA D C1A ? ? 1 +53784 C C2A . CLA EB . 0.2230 0.8071 0.9891 -0.1544 -0.0097 -0.0066 403 CLA D C2A ? ? 1 +53785 C C3A . CLA EB . 0.2219 0.7985 0.9809 -0.1521 -0.0044 -0.0014 403 CLA D C3A ? ? 1 +53786 C C4A . CLA EB . 0.2335 0.7938 0.9836 -0.1556 -0.0013 -0.0009 403 CLA D C4A ? ? 1 +53787 C CMA . CLA EB . 0.2140 0.7903 0.9661 -0.1435 -0.0066 0.0019 403 CLA D CMA ? ? 1 +53788 C CAA . CLA EB . 0.2261 0.8241 1.0065 -0.1598 -0.0092 -0.0096 403 CLA D CAA ? ? 1 +53789 C CBA . CLA EB . 0.2446 0.8362 1.0265 -0.1677 -0.0031 -0.0097 403 CLA D CBA ? ? 1 +53790 C CGA . CLA EB . 0.2522 0.8566 1.0478 -0.1733 -0.0009 -0.0120 403 CLA D CGA ? ? 1 +53791 O O1A . CLA EB . 0.2452 0.8642 1.0507 -0.1720 -0.0043 -0.0142 403 CLA D O1A ? ? 1 +53792 O O2A . CLA EB . 0.2808 0.8794 1.0775 -0.1804 0.0057 -0.0115 403 CLA D O2A ? ? 1 +53793 N NB . CLA EB . 0.2585 0.7837 0.9879 -0.1606 0.0058 0.0016 403 CLA D NB ? ? 1 +53794 C C1B . CLA EB . 0.2497 0.7829 0.9820 -0.1574 0.0075 0.0046 403 CLA D C1B ? ? 1 +53795 C C2B . CLA EB . 0.2547 0.7792 0.9804 -0.1575 0.0135 0.0091 403 CLA D C2B ? ? 1 +53796 C C3B . CLA EB . 0.2699 0.7781 0.9869 -0.1607 0.0157 0.0089 403 CLA D C3B ? ? 1 +53797 C C4B . CLA EB . 0.2705 0.7803 0.9904 -0.1623 0.0107 0.0042 403 CLA D C4B ? ? 1 +53798 C CMB . CLA EB . 0.2480 0.7780 0.9749 -0.1548 0.0166 0.0128 403 CLA D CMB ? ? 1 +53799 C CAB . CLA EB . 0.2816 0.7760 0.9892 -0.1619 0.0219 0.0128 403 CLA D CAB ? ? 1 +53800 C CBB . CLA EB . 0.2971 0.7762 0.9969 -0.1657 0.0248 0.0127 403 CLA D CBB ? ? 1 +53801 N NC . CLA EB . 0.2748 0.7874 1.0008 -0.1672 0.0006 -0.0062 403 CLA D NC ? ? 1 +53802 C C1C . CLA EB . 0.2863 0.7846 1.0035 -0.1687 0.0061 -0.0030 403 CLA D C1C ? ? 1 +53803 C C2C . CLA EB . 0.3028 0.7863 1.0137 -0.1738 0.0075 -0.0050 403 CLA D C2C ? ? 1 +53804 C C3C . CLA EB . 0.2998 0.7895 1.0162 -0.1754 0.0019 -0.0102 403 CLA D C3C ? ? 1 +53805 C C4C . CLA EB . 0.2832 0.7901 1.0079 -0.1707 -0.0020 -0.0103 403 CLA D C4C ? ? 1 +53806 C CMC . CLA EB . 0.3202 0.7856 1.0205 -0.1765 0.0134 -0.0023 403 CLA D CMC ? ? 1 +53807 C CAC . CLA EB . 0.3121 0.7921 1.0254 -0.1802 0.0003 -0.0143 403 CLA D CAC ? ? 1 +53808 C CBC . CLA EB . 0.3158 0.8026 1.0407 -0.1898 0.0011 -0.0187 403 CLA D CBC ? ? 1 +53809 N ND . CLA EB . 0.2550 0.7977 1.0008 -0.1658 -0.0089 -0.0122 403 CLA D ND ? ? 1 +53810 C C1D . CLA EB . 0.2638 0.7977 1.0049 -0.1680 -0.0118 -0.0158 403 CLA D C1D ? ? 1 +53811 C C2D . CLA EB . 0.2584 0.8033 1.0065 -0.1676 -0.0184 -0.0205 403 CLA D C2D ? ? 1 +53812 C C3D . CLA EB . 0.2447 0.8044 1.0004 -0.1638 -0.0194 -0.0189 403 CLA D C3D ? ? 1 +53813 C C4D . CLA EB . 0.2436 0.8004 0.9965 -0.1624 -0.0141 -0.0142 403 CLA D C4D ? ? 1 +53814 C CMD . CLA EB . 0.2642 0.8072 1.0120 -0.1696 -0.0236 -0.0256 403 CLA D CMD ? ? 1 +53815 C CAD . CLA EB . 0.2325 0.8085 0.9970 -0.1606 -0.0241 -0.0205 403 CLA D CAD ? ? 1 +53816 O OBD . CLA EB . 0.2308 0.8131 0.9989 -0.1602 -0.0300 -0.0246 403 CLA D OBD ? ? 1 +53817 C CBD . CLA EB . 0.2233 0.8064 0.9905 -0.1573 -0.0212 -0.0165 403 CLA D CBD ? ? 1 +53818 C CGD . CLA EB . 0.2154 0.7993 0.9763 -0.1486 -0.0244 -0.0141 403 CLA D CGD ? ? 1 +53819 O O1D . CLA EB . 0.2188 0.7917 0.9690 -0.1447 -0.0231 -0.0112 403 CLA D O1D ? ? 1 +53820 O O2D . CLA EB . 0.2042 0.8016 0.9713 -0.1446 -0.0290 -0.0153 403 CLA D O2D ? ? 1 +53821 C CED . CLA EB . 0.2005 0.7971 0.9615 -0.1382 -0.0336 -0.0153 403 CLA D CED ? ? 1 +53822 C C1 . CLA EB . 0.2980 0.9086 1.1083 -0.1863 0.0085 -0.0138 403 CLA D C1 ? ? 1 +53823 C C2 . CLA EB . 0.3285 0.9280 1.1358 -0.1935 0.0158 -0.0128 403 CLA D C2 ? ? 1 +53824 C C3 . CLA EB . 0.3614 0.9555 1.1638 -0.1932 0.0222 -0.0083 403 CLA D C3 ? ? 1 +53825 C C4 . CLA EB . 0.3513 0.9506 1.1514 -0.1857 0.0223 -0.0042 403 CLA D C4 ? ? 1 +53826 C C5 . CLA EB . 0.4120 0.9939 1.2108 -0.2006 0.0295 -0.0074 403 CLA D C5 ? ? 1 +53827 C C6 . CLA EB . 0.4518 1.0363 1.2530 -0.2024 0.0367 -0.0044 403 CLA D C6 ? ? 1 +53828 C C7 . CLA EB . 0.5079 1.0976 1.3206 -0.2125 0.0415 -0.0078 403 CLA D C7 ? ? 1 +53829 C C8 . CLA EB . 0.5641 1.1521 1.3764 -0.2152 0.0500 -0.0045 403 CLA D C8 ? ? 1 +53830 C C9 . CLA EB . 0.5578 1.1426 1.3611 -0.2079 0.0523 0.0012 403 CLA D C9 ? ? 1 +53831 C C10 . CLA EB . 0.6388 1.2312 1.4622 -0.2256 0.0561 -0.0075 403 CLA D C10 ? ? 1 +53832 C C11 . CLA EB . 0.7008 1.3145 1.5439 -0.2294 0.0540 -0.0129 403 CLA D C11 ? ? 1 +53833 C C12 . CLA EB . 0.7748 1.3927 1.6253 -0.2334 0.0480 -0.0188 403 CLA D C12 ? ? 1 +53834 C C13 . CLA EB . 0.8611 1.4839 1.7242 -0.2446 0.0521 -0.0234 403 CLA D C13 ? ? 1 +53835 C C14 . CLA EB . 0.8770 1.4808 1.7302 -0.2514 0.0599 -0.0213 403 CLA D C14 ? ? 1 +53836 C C15 . CLA EB . 0.9440 1.5747 1.8161 -0.2470 0.0445 -0.0297 403 CLA D C15 ? ? 1 +53837 C C16 . CLA EB . 0.9874 1.6412 1.8797 -0.2494 0.0418 -0.0349 403 CLA D C16 ? ? 1 +53838 C C17 . CLA EB . 1.0348 1.6949 1.9320 -0.2485 0.0322 -0.0402 403 CLA D C17 ? ? 1 +53839 C C18 . CLA EB . 1.0633 1.7453 1.9808 -0.2518 0.0282 -0.0466 403 CLA D C18 ? ? 1 +53840 C C19 . CLA EB . 1.0520 1.7370 1.9767 -0.2575 0.0227 -0.0533 403 CLA D C19 ? ? 1 +53841 C C20 . CLA EB . 1.0643 1.7642 1.9952 -0.2509 0.0311 -0.0466 403 CLA D C20 ? ? 1 +53842 C C1 . GOL EC . 0.5448 1.1675 1.1993 -0.0711 0.2320 -0.0088 302 GOL O C1 ? ? 1 +53843 O O1 . GOL EC . 0.5136 1.1509 1.1850 -0.0688 0.2228 -0.0101 302 GOL O O1 ? ? 1 +53844 C C2 . GOL EC . 0.5653 1.1926 1.2232 -0.0700 0.2421 -0.0116 302 GOL O C2 ? ? 1 +53845 O O2 . GOL EC . 0.5861 1.1971 1.2232 -0.0658 0.2440 -0.0101 302 GOL O O2 ? ? 1 +53846 C C3 . GOL EC . 0.5787 1.2104 1.2433 -0.0770 0.2539 -0.0130 302 GOL O C3 ? ? 1 +53847 O O3 . GOL EC . 0.5918 1.2058 1.2375 -0.0811 0.2595 -0.0100 302 GOL O O3 ? ? 1 +53848 O O1 A LHG ED . 1.2978 1.7040 1.5870 -0.0109 -0.2017 -0.1094 418 LHG a O1 ? ? 1 +53849 O O1 B LHG ED . 1.5704 1.9768 1.8595 -0.0109 -0.2022 -0.1097 418 LHG a O1 ? ? 1 +53850 C C1 A LHG ED . 1.3160 1.7067 1.5844 -0.0057 -0.1974 -0.1078 418 LHG a C1 ? ? 1 +53851 C C1 B LHG ED . 1.5992 1.9897 1.8675 -0.0060 -0.1979 -0.1083 418 LHG a C1 ? ? 1 +53852 C C2 A LHG ED . 1.3124 1.6985 1.5813 -0.0054 -0.1856 -0.1022 418 LHG a C2 ? ? 1 +53853 C C2 B LHG ED . 1.6058 1.9920 1.8748 -0.0056 -0.1862 -0.1026 418 LHG a C2 ? ? 1 +53854 O O2 A LHG ED . 1.3011 1.6912 1.5842 -0.0125 -0.1830 -0.1040 418 LHG a O2 ? ? 1 +53855 O O2 B LHG ED . 1.5869 1.9769 1.8699 -0.0127 -0.1834 -0.1043 418 LHG a O2 ? ? 1 +53856 C C3 A LHG ED . 1.3429 1.7123 1.5909 -0.0009 -0.1808 -0.1015 418 LHG a C3 ? ? 1 +53857 C C3 B LHG ED . 1.6603 2.0299 1.9083 -0.0010 -0.1812 -0.1017 418 LHG a C3 ? ? 1 +53858 O O3 A LHG ED . 1.3693 1.7365 1.6181 0.0012 -0.1698 -0.0951 418 LHG a O3 ? ? 1 +53859 O O3 B LHG ED . 1.7433 2.1109 1.9929 0.0008 -0.1701 -0.0955 418 LHG a O3 ? ? 1 +53860 P P A LHG ED . 1.3805 1.7350 1.6206 0.0007 -0.1623 -0.0954 418 LHG a P ? ? 1 +53861 P P B LHG ED . 1.7885 2.1426 2.0279 0.0007 -0.1628 -0.0957 418 LHG a P ? ? 1 +53862 O O4 A LHG ED . 1.4046 1.7455 1.6226 0.0075 -0.1600 -0.0943 418 LHG a O4 ? ? 1 +53863 O O4 B LHG ED . 1.8147 2.1556 2.0320 0.0076 -0.1609 -0.0946 418 LHG a O4 ? ? 1 +53864 O O5 A LHG ED . 1.3588 1.7125 1.6044 -0.0062 -0.1667 -0.1016 418 LHG a O5 ? ? 1 +53865 O O5 B LHG ED . 1.7438 2.0962 1.9878 -0.0060 -0.1668 -0.1020 418 LHG a O5 ? ? 1 +53866 O O6 A LHG ED . 1.3394 1.7003 1.5925 0.0002 -0.1524 -0.0889 418 LHG a O6 ? ? 1 +53867 O O6 B LHG ED . 1.7498 2.1097 2.0014 0.0004 -0.1526 -0.0892 418 LHG a O6 ? ? 1 +53868 C C4 A LHG ED . 1.3284 1.6955 1.5978 -0.0063 -0.1503 -0.0897 418 LHG a C4 ? ? 1 +53869 C C4 B LHG ED . 1.7518 2.1175 2.0194 -0.0060 -0.1502 -0.0899 418 LHG a C4 ? ? 1 +53870 C C5 A LHG ED . 1.3174 1.6923 1.5989 -0.0057 -0.1422 -0.0832 418 LHG a C5 ? ? 1 +53871 C C5 B LHG ED . 1.7543 2.1282 2.0344 -0.0055 -0.1424 -0.0835 418 LHG a C5 ? ? 1 +53872 C C6 A LHG ED . 1.3230 1.6898 1.5934 0.0001 -0.1335 -0.0785 418 LHG a C6 ? ? 1 +53873 C C6 B LHG ED . 1.7548 2.1209 2.0240 0.0004 -0.1336 -0.0785 418 LHG a C6 ? ? 1 +53874 O O7 A LHG ED . 1.3137 1.6920 1.6085 -0.0117 -0.1394 -0.0840 418 LHG a O7 ? ? 1 +53875 O O7 B LHG ED . 1.7791 2.1563 2.0724 -0.0115 -0.1395 -0.0843 418 LHG a O7 ? ? 1 +53876 C C7 A LHG ED . 1.3035 1.6901 1.6110 -0.0178 -0.1454 -0.0878 418 LHG a C7 ? ? 1 +53877 C C7 B LHG ED . 1.7830 2.1700 2.0908 -0.0175 -0.1450 -0.0873 418 LHG a C7 ? ? 1 +53878 O O9 A LHG ED . 1.3016 1.6939 1.6110 -0.0183 -0.1531 -0.0905 418 LHG a O9 ? ? 1 +53879 O O9 B LHG ED . 1.7640 2.1581 2.0753 -0.0180 -0.1523 -0.0894 418 LHG a O9 ? ? 1 +53880 C C8 A LHG ED . 1.2866 1.6739 1.6050 -0.0236 -0.1413 -0.0883 418 LHG a C8 ? ? 1 +53881 C C8 B LHG ED . 1.7786 2.1663 2.0971 -0.0231 -0.1407 -0.0877 418 LHG a C8 ? ? 1 +53882 C C9 A LHG ED . 1.2594 1.6608 1.5976 -0.0294 -0.1441 -0.0889 418 LHG a C9 ? ? 1 +53883 C C9 B LHG ED . 1.7575 2.1589 2.0954 -0.0291 -0.1440 -0.0887 418 LHG a C9 ? ? 1 +53884 C C10 A LHG ED . 1.2301 1.6331 1.5794 -0.0335 -0.1375 -0.0868 418 LHG a C10 ? ? 1 +53885 C C10 B LHG ED . 1.7211 2.1238 2.0701 -0.0338 -0.1380 -0.0873 418 LHG a C10 ? ? 1 +53886 O O8 A LHG ED . 1.3108 1.6855 1.5861 0.0037 -0.1306 -0.0728 418 LHG a O8 ? ? 1 +53887 O O8 B LHG ED . 1.7308 2.1057 2.0067 0.0034 -0.1305 -0.0727 418 LHG a O8 ? ? 1 +53888 C C23 A LHG ED . 1.2998 1.6802 1.5862 0.0031 -0.1233 -0.0681 418 LHG a C23 ? ? 1 +53889 C C23 B LHG ED . 1.7114 2.0907 1.9965 0.0036 -0.1224 -0.0679 418 LHG a C23 ? ? 1 +53890 O O10 A LHG ED . 1.2908 1.6772 1.5814 0.0058 -0.1199 -0.0632 418 LHG a O10 ? ? 1 +53891 O O10 B LHG ED . 1.7047 2.0892 1.9928 0.0066 -0.1189 -0.0629 418 LHG a O10 ? ? 1 +53892 C C24 A LHG ED . 1.2957 1.6738 1.5884 -0.0014 -0.1200 -0.0698 418 LHG a C24 ? ? 1 +53893 C C24 B LHG ED . 1.6979 2.0755 1.9902 -0.0008 -0.1186 -0.0691 418 LHG a C24 ? ? 1 +53894 C C11 A LHG ED . 1.1930 1.6075 1.5604 -0.0405 -0.1405 -0.0888 418 LHG a C11 ? ? 1 +53895 C C11 B LHG ED . 1.6627 2.0773 2.0298 -0.0407 -0.1414 -0.0893 418 LHG a C11 ? ? 1 +53896 C C12 A LHG ED . 1.1655 1.5784 1.5330 -0.0461 -0.1479 -0.0960 418 LHG a C12 ? ? 1 +53897 C C12 B LHG ED . 1.5976 2.0103 1.9649 -0.0464 -0.1485 -0.0966 418 LHG a C12 ? ? 1 +53898 C C13 A LHG ED . 1.1283 1.5557 1.5107 -0.0501 -0.1546 -0.0984 418 LHG a C13 ? ? 1 +53899 C C13 B LHG ED . 1.5304 1.9574 1.9127 -0.0507 -0.1552 -0.0991 418 LHG a C13 ? ? 1 +53900 C C14 A LHG ED . 1.0849 1.5234 1.4856 -0.0542 -0.1508 -0.0956 418 LHG a C14 ? ? 1 +53901 C C14 B LHG ED . 1.4666 1.9050 1.8672 -0.0545 -0.1512 -0.0960 418 LHG a C14 ? ? 1 +53902 C C15 A LHG ED . 1.0610 1.5133 1.4771 -0.0593 -0.1573 -0.0990 418 LHG a C15 ? ? 1 +53903 C C15 B LHG ED . 1.4295 1.8820 1.8456 -0.0593 -0.1576 -0.0992 418 LHG a C15 ? ? 1 +53904 C C16 A LHG ED . 1.0270 1.4906 1.4608 -0.0628 -0.1533 -0.0959 418 LHG a C16 ? ? 1 +53905 C C16 B LHG ED . 1.3826 1.8461 1.8164 -0.0629 -0.1534 -0.0960 418 LHG a C16 ? ? 1 +53906 C C17 A LHG ED . 1.0039 1.4726 1.4400 -0.0571 -0.1484 -0.0889 418 LHG a C17 ? ? 1 +53907 C C17 B LHG ED . 1.3478 1.8169 1.7845 -0.0574 -0.1486 -0.0891 418 LHG a C17 ? ? 1 +53908 C C18 A LHG ED . 0.9915 1.4693 1.4293 -0.0528 -0.1538 -0.0881 418 LHG a C18 ? ? 1 +53909 C C18 B LHG ED . 1.3198 1.7973 1.7572 -0.0528 -0.1540 -0.0882 418 LHG a C18 ? ? 1 +53910 C C19 A LHG ED . 0.9633 1.4448 1.4021 -0.0473 -0.1488 -0.0812 418 LHG a C19 ? ? 1 +53911 C C19 B LHG ED . 1.2644 1.7463 1.7038 -0.0475 -0.1490 -0.0814 418 LHG a C19 ? ? 1 +53912 C C20 A LHG ED . 0.9283 1.4187 1.3827 -0.0503 -0.1435 -0.0777 418 LHG a C20 ? ? 1 +53913 C C20 B LHG ED . 1.2055 1.6962 1.6605 -0.0507 -0.1437 -0.0779 418 LHG a C20 ? ? 1 +53914 C C21 A LHG ED . 0.9031 1.4071 1.3741 -0.0552 -0.1482 -0.0804 418 LHG a C21 ? ? 1 +53915 C C21 B LHG ED . 1.1541 1.6585 1.6257 -0.0556 -0.1483 -0.0806 418 LHG a C21 ? ? 1 +53916 C C22 A LHG ED . 0.8808 1.3920 1.3663 -0.0589 -0.1426 -0.0774 418 LHG a C22 ? ? 1 +53917 C C22 B LHG ED . 1.1172 1.6288 1.6032 -0.0590 -0.1426 -0.0774 418 LHG a C22 ? ? 1 +53918 C C25 A LHG ED . 1.2828 1.6729 1.5949 -0.0075 -0.1221 -0.0703 418 LHG a C25 ? ? 1 +53919 C C25 B LHG ED . 1.6822 2.0715 1.9935 -0.0071 -0.1214 -0.0700 418 LHG a C25 ? ? 1 +53920 C C26 A LHG ED . 1.2728 1.6639 1.5941 -0.0096 -0.1146 -0.0676 418 LHG a C26 ? ? 1 +53921 C C26 B LHG ED . 1.6633 2.0545 1.9847 -0.0094 -0.1142 -0.0673 418 LHG a C26 ? ? 1 +53922 C C27 A LHG ED . 1.2558 1.6548 1.5855 -0.0070 -0.1084 -0.0612 418 LHG a C27 ? ? 1 +53923 C C27 B LHG ED . 1.6336 2.0324 1.9630 -0.0066 -0.1079 -0.0609 418 LHG a C27 ? ? 1 +53924 C C28 A LHG ED . 1.2338 1.6471 1.5800 -0.0099 -0.1114 -0.0597 418 LHG a C28 ? ? 1 +53925 C C28 B LHG ED . 1.5935 2.0067 1.9397 -0.0096 -0.1107 -0.0593 418 LHG a C28 ? ? 1 +53926 C C29 A LHG ED . 1.2118 1.6323 1.5731 -0.0130 -0.1062 -0.0568 418 LHG a C29 ? ? 1 +53927 C C29 B LHG ED . 1.5494 1.9696 1.9106 -0.0128 -0.1055 -0.0564 418 LHG a C29 ? ? 1 +53928 C C30 A LHG ED . 1.2052 1.6209 1.5692 -0.0178 -0.1054 -0.0599 418 LHG a C30 ? ? 1 +53929 C C30 B LHG ED . 1.5224 1.9373 1.8857 -0.0172 -0.1041 -0.0593 418 LHG a C30 ? ? 1 +53930 C C31 A LHG ED . 1.2098 1.6256 1.5754 -0.0230 -0.1130 -0.0659 418 LHG a C31 ? ? 1 +53931 C C31 B LHG ED . 1.5138 1.9279 1.8784 -0.0225 -0.1114 -0.0653 418 LHG a C31 ? ? 1 +53932 CA CA . CA EE . 0.7045 1.1505 1.0002 0.1300 0.2553 -0.0019 523 CA c CA ? ? 1 +53933 FE FE A FE2 EF . 0.2817 0.7563 0.8631 0.0393 -0.0362 0.0615 401 FE2 A FE ? ? 1 +53934 FE FE B FE2 EF . 0.2856 0.7605 0.8672 0.0393 -0.0362 0.0614 401 FE2 A FE ? ? 1 +53935 MG MG . CLA EG . 0.1012 0.7986 0.8486 -0.0388 -0.0205 0.0373 607 CLA B MG ? ? 1 +53936 C CHA . CLA EG . 0.0893 0.7837 0.8302 -0.0335 -0.0267 0.0363 607 CLA B CHA ? ? 1 +53937 C CHB . CLA EG . 0.1026 0.8032 0.8575 -0.0426 -0.0244 0.0343 607 CLA B CHB ? ? 1 +53938 C CHC . CLA EG . 0.1004 0.7909 0.8455 -0.0447 -0.0142 0.0401 607 CLA B CHC ? ? 1 +53939 C CHD . CLA EG . 0.0910 0.7795 0.8255 -0.0356 -0.0179 0.0406 607 CLA B CHD ? ? 1 +53940 N NA . CLA EG . 0.0971 0.7949 0.8451 -0.0380 -0.0248 0.0357 607 CLA B NA ? ? 1 +53941 C C1A . CLA EG . 0.0957 0.7924 0.8409 -0.0357 -0.0270 0.0354 607 CLA B C1A ? ? 1 +53942 C C2A . CLA EG . 0.1018 0.7999 0.8485 -0.0353 -0.0299 0.0339 607 CLA B C2A ? ? 1 +53943 C C3A . CLA EG . 0.0995 0.8008 0.8517 -0.0380 -0.0293 0.0329 607 CLA B C3A ? ? 1 +53944 C C4A . CLA EG . 0.0994 0.7993 0.8512 -0.0397 -0.0259 0.0344 607 CLA B C4A ? ? 1 +53945 C CMA . CLA EG . 0.0999 0.8079 0.8583 -0.0375 -0.0304 0.0310 607 CLA B CMA ? ? 1 +53946 C CAA . CLA EG . 0.1092 0.8022 0.8509 -0.0351 -0.0313 0.0344 607 CLA B CAA ? ? 1 +53947 C CBA . CLA EG . 0.1177 0.8076 0.8583 -0.0374 -0.0298 0.0354 607 CLA B CBA ? ? 1 +53948 C CGA . CLA EG . 0.1316 0.8166 0.8672 -0.0371 -0.0302 0.0363 607 CLA B CGA ? ? 1 +53949 O O1A . CLA EG . 0.1383 0.8214 0.8706 -0.0355 -0.0314 0.0363 607 CLA B O1A ? ? 1 +53950 O O2A . CLA EG . 0.1501 0.8324 0.8849 -0.0388 -0.0290 0.0371 607 CLA B O2A ? ? 1 +53951 N NB . CLA EG . 0.1012 0.7974 0.8514 -0.0430 -0.0194 0.0372 607 CLA B NB ? ? 1 +53952 C C1B . CLA EG . 0.1012 0.7994 0.8550 -0.0444 -0.0210 0.0358 607 CLA B C1B ? ? 1 +53953 C C2B . CLA EG . 0.1010 0.7975 0.8562 -0.0477 -0.0196 0.0358 607 CLA B C2B ? ? 1 +53954 C C3B . CLA EG . 0.1059 0.7991 0.8578 -0.0481 -0.0165 0.0377 607 CLA B C3B ? ? 1 +53955 C C4B . CLA EG . 0.1019 0.7956 0.8512 -0.0452 -0.0166 0.0383 607 CLA B C4B ? ? 1 +53956 C CMB . CLA EG . 0.1013 0.7985 0.8597 -0.0498 -0.0210 0.0343 607 CLA B CMB ? ? 1 +53957 C CAB . CLA EG . 0.1158 0.8054 0.8666 -0.0507 -0.0136 0.0388 607 CLA B CAB ? ? 1 +53958 C CBB . CLA EG . 0.1203 0.8109 0.8750 -0.0537 -0.0127 0.0379 607 CLA B CBB ? ? 1 +53959 N NC . CLA EG . 0.0946 0.7859 0.8360 -0.0398 -0.0171 0.0398 607 CLA B NC ? ? 1 +53960 C C1C . CLA EG . 0.0955 0.7848 0.8366 -0.0419 -0.0147 0.0408 607 CLA B C1C ? ? 1 +53961 C C2C . CLA EG . 0.0955 0.7804 0.8313 -0.0415 -0.0128 0.0425 607 CLA B C2C ? ? 1 +53962 C C3C . CLA EG . 0.0934 0.7782 0.8265 -0.0389 -0.0140 0.0425 607 CLA B C3C ? ? 1 +53963 C C4C . CLA EG . 0.0924 0.7811 0.8292 -0.0381 -0.0163 0.0409 607 CLA B C4C ? ? 1 +53964 C CMC . CLA EG . 0.1006 0.7816 0.8337 -0.0432 -0.0102 0.0439 607 CLA B CMC ? ? 1 +53965 C CAC . CLA EG . 0.0953 0.7765 0.8226 -0.0374 -0.0134 0.0437 607 CLA B CAC ? ? 1 +53966 C CBC . CLA EG . 0.0958 0.7730 0.8192 -0.0369 -0.0156 0.0442 607 CLA B CBC ? ? 1 +53967 N ND . CLA EG . 0.0901 0.7823 0.8298 -0.0359 -0.0219 0.0385 607 CLA B ND ? ? 1 +53968 C C1D . CLA EG . 0.0892 0.7795 0.8253 -0.0345 -0.0205 0.0394 607 CLA B C1D ? ? 1 +53969 C C2D . CLA EG . 0.0896 0.7784 0.8224 -0.0322 -0.0221 0.0393 607 CLA B C2D ? ? 1 +53970 C C3D . CLA EG . 0.0869 0.7775 0.8220 -0.0319 -0.0244 0.0381 607 CLA B C3D ? ? 1 +53971 C C4D . CLA EG . 0.0874 0.7803 0.8265 -0.0338 -0.0242 0.0376 607 CLA B C4D ? ? 1 +53972 C CMD . CLA EG . 0.0925 0.7784 0.8207 -0.0305 -0.0218 0.0399 607 CLA B CMD ? ? 1 +53973 C CAD . CLA EG . 0.0866 0.7767 0.8203 -0.0301 -0.0269 0.0373 607 CLA B CAD ? ? 1 +53974 O OBD . CLA EG . 0.0851 0.7729 0.8151 -0.0281 -0.0274 0.0374 607 CLA B OBD ? ? 1 +53975 C CBD . CLA EG . 0.0883 0.7810 0.8257 -0.0308 -0.0286 0.0361 607 CLA B CBD ? ? 1 +53976 C CGD . CLA EG . 0.0874 0.7838 0.8272 -0.0286 -0.0301 0.0347 607 CLA B CGD ? ? 1 +53977 O O1D . CLA EG . 0.0847 0.7814 0.8245 -0.0277 -0.0326 0.0337 607 CLA B O1D ? ? 1 +53978 O O2D . CLA EG . 0.0904 0.7894 0.8317 -0.0271 -0.0288 0.0346 607 CLA B O2D ? ? 1 +53979 C CED . CLA EG . 0.0957 0.7983 0.8393 -0.0245 -0.0304 0.0332 607 CLA B CED ? ? 1 +53980 C C1 . CLA EG . 0.1672 0.8456 0.8981 -0.0384 -0.0293 0.0377 607 CLA B C1 ? ? 1 +53981 C C2 . CLA EG . 0.1828 0.8591 0.9139 -0.0402 -0.0281 0.0384 607 CLA B C2 ? ? 1 +53982 C C3 . CLA EG . 0.2055 0.8782 0.9337 -0.0401 -0.0279 0.0391 607 CLA B C3 ? ? 1 +53983 C C4 . CLA EG . 0.2019 0.8731 0.9271 -0.0385 -0.0288 0.0391 607 CLA B C4 ? ? 1 +53984 C C5 . CLA EG . 0.2296 0.9000 0.9578 -0.0416 -0.0267 0.0397 607 CLA B C5 ? ? 1 +53985 C C6 . CLA EG . 0.2551 0.9228 0.9804 -0.0408 -0.0257 0.0411 607 CLA B C6 ? ? 1 +53986 C C7 . CLA EG . 0.2783 0.9423 1.0020 -0.0413 -0.0256 0.0414 607 CLA B C7 ? ? 1 +53987 C C8 . CLA EG . 0.3044 0.9656 1.0250 -0.0402 -0.0250 0.0427 607 CLA B C8 ? ? 1 +53988 C C9 . CLA EG . 0.3150 0.9774 1.0342 -0.0388 -0.0248 0.0434 607 CLA B C9 ? ? 1 +53989 C C10 . CLA EG . 0.3334 0.9904 1.0522 -0.0406 -0.0244 0.0433 607 CLA B C10 ? ? 1 +53990 C C11 . CLA EG . 0.3724 1.0267 1.0879 -0.0393 -0.0237 0.0448 607 CLA B C11 ? ? 1 +53991 C C12 . CLA EG . 0.4105 1.0603 1.1236 -0.0387 -0.0239 0.0451 607 CLA B C12 ? ? 1 +53992 C C13 . CLA EG . 0.4137 1.0601 1.1230 -0.0372 -0.0236 0.0465 607 CLA B C13 ? ? 1 +53993 C C14 . CLA EG . 0.4067 1.0555 1.1154 -0.0350 -0.0249 0.0465 607 CLA B C14 ? ? 1 +53994 C C15 . CLA EG . 0.4251 1.0667 1.1321 -0.0366 -0.0237 0.0467 607 CLA B C15 ? ? 1 +53995 C C16 . CLA EG . 0.4466 1.0831 1.1490 -0.0355 -0.0229 0.0483 607 CLA B C16 ? ? 1 +53996 C C17 . CLA EG . 0.4456 1.0781 1.1458 -0.0338 -0.0238 0.0483 607 CLA B C17 ? ? 1 +53997 C C18 . CLA EG . 0.4551 1.0806 1.1501 -0.0329 -0.0229 0.0498 607 CLA B C18 ? ? 1 +53998 C C19 . CLA EG . 0.4594 1.0818 1.1516 -0.0296 -0.0244 0.0499 607 CLA B C19 ? ? 1 +53999 C C20 . CLA EG . 0.4904 1.1111 1.1822 -0.0348 -0.0205 0.0512 607 CLA B C20 ? ? 1 +54000 MG MG . CLA EH . 0.2965 0.9698 1.0392 0.1141 0.0772 -0.0403 502 CLA C MG ? ? 1 +54001 C CHA . CLA EH . 0.3127 0.9493 1.0180 0.1043 0.0794 -0.0372 502 CLA C CHA ? ? 1 +54002 C CHB . CLA EH . 0.2705 0.9566 1.0228 0.0958 0.0730 -0.0349 502 CLA C CHB ? ? 1 +54003 C CHC . CLA EH . 0.2823 0.9823 1.0545 0.1247 0.0658 -0.0413 502 CLA C CHC ? ? 1 +54004 C CHD . CLA EH . 0.3241 0.9712 1.0477 0.1332 0.0740 -0.0433 502 CLA C CHD ? ? 1 +54005 N NA . CLA EH . 0.2915 0.9548 1.0228 0.1025 0.0761 -0.0365 502 CLA C NA ? ? 1 +54006 C C1A . CLA EH . 0.2986 0.9483 1.0158 0.0996 0.0776 -0.0357 502 CLA C C1A ? ? 1 +54007 C C2A . CLA EH . 0.2926 0.9407 1.0061 0.0911 0.0780 -0.0335 502 CLA C C2A ? ? 1 +54008 C C3A . CLA EH . 0.2793 0.9432 1.0078 0.0886 0.0766 -0.0329 502 CLA C C3A ? ? 1 +54009 C C4A . CLA EH . 0.2801 0.9518 1.0183 0.0961 0.0750 -0.0348 502 CLA C C4A ? ? 1 +54010 C CMA . CLA EH . 0.2766 0.9504 1.0117 0.0846 0.0836 -0.0341 502 CLA C CMA ? ? 1 +54011 C CAA . CLA EH . 0.2931 0.9268 0.9938 0.0874 0.0723 -0.0307 502 CLA C CAA ? ? 1 +54012 C CBA . CLA EH . 0.2916 0.9222 0.9928 0.0904 0.0652 -0.0293 502 CLA C CBA ? ? 1 +54013 C CGA . CLA EH . 0.2821 0.9212 0.9918 0.0863 0.0608 -0.0270 502 CLA C CGA ? ? 1 +54014 O O1A . CLA EH . 0.2771 0.9139 0.9835 0.0799 0.0591 -0.0248 502 CLA C O1A ? ? 1 +54015 O O2A . CLA EH . 0.2824 0.9326 1.0044 0.0906 0.0581 -0.0276 502 CLA C O2A ? ? 1 +54016 N NB . CLA EH . 0.2790 0.9686 1.0380 0.1106 0.0706 -0.0384 502 CLA C NB ? ? 1 +54017 C C1B . CLA EH . 0.2700 0.9646 1.0324 0.1029 0.0702 -0.0365 502 CLA C C1B ? ? 1 +54018 C C2B . CLA EH . 0.2591 0.9664 1.0342 0.1019 0.0658 -0.0358 502 CLA C C2B ? ? 1 +54019 C C3B . CLA EH . 0.2632 0.9745 1.0439 0.1104 0.0633 -0.0377 502 CLA C C3B ? ? 1 +54020 C C4B . CLA EH . 0.2750 0.9756 1.0458 0.1153 0.0669 -0.0392 502 CLA C C4B ? ? 1 +54021 C CMB . CLA EH . 0.2487 0.9629 1.0293 0.0944 0.0641 -0.0339 502 CLA C CMB ? ? 1 +54022 C CAB . CLA EH . 0.2568 0.9810 1.0506 0.1128 0.0585 -0.0379 502 CLA C CAB ? ? 1 +54023 C CBB . CLA EH . 0.2604 0.9905 1.0610 0.1208 0.0565 -0.0400 502 CLA C CBB ? ? 1 +54024 N NC . CLA EH . 0.3005 0.9741 1.0475 0.1258 0.0713 -0.0417 502 CLA C NC ? ? 1 +54025 C C1C . CLA EH . 0.2943 0.9800 1.0539 0.1295 0.0675 -0.0421 502 CLA C C1C ? ? 1 +54026 C C2C . CLA EH . 0.3017 0.9845 1.0611 0.1387 0.0641 -0.0432 502 CLA C C2C ? ? 1 +54027 C C3C . CLA EH . 0.3137 0.9806 1.0587 0.1411 0.0668 -0.0439 502 CLA C C3C ? ? 1 +54028 C C4C . CLA EH . 0.3121 0.9755 1.0512 0.1330 0.0711 -0.0430 502 CLA C C4C ? ? 1 +54029 C CMC . CLA EH . 0.2979 0.9910 1.0685 0.1447 0.0589 -0.0438 502 CLA C CMC ? ? 1 +54030 C CAC . CLA EH . 0.3259 0.9820 1.0632 0.1498 0.0655 -0.0451 502 CLA C CAC ? ? 1 +54031 C CBC . CLA EH . 0.3293 0.9690 1.0538 0.1487 0.0589 -0.0419 502 CLA C CBC ? ? 1 +54032 N ND . CLA EH . 0.3118 0.9593 1.0320 0.1173 0.0751 -0.0396 502 CLA C ND ? ? 1 +54033 C C1D . CLA EH . 0.3230 0.9633 1.0379 0.1254 0.0765 -0.0419 502 CLA C C1D ? ? 1 +54034 C C2D . CLA EH . 0.3335 0.9580 1.0326 0.1248 0.0795 -0.0424 502 CLA C C2D ? ? 1 +54035 C C3D . CLA EH . 0.3295 0.9540 1.0260 0.1161 0.0807 -0.0406 502 CLA C C3D ? ? 1 +54036 C C4D . CLA EH . 0.3174 0.9551 1.0261 0.1127 0.0787 -0.0393 502 CLA C C4D ? ? 1 +54037 C CMD . CLA EH . 0.3474 0.9586 1.0350 0.1306 0.0814 -0.0443 502 CLA C CMD ? ? 1 +54038 C CAD . CLA EH . 0.3347 0.9491 1.0191 0.1100 0.0831 -0.0396 502 CLA C CAD ? ? 1 +54039 O OBD . CLA EH . 0.3460 0.9472 1.0173 0.1115 0.0852 -0.0407 502 CLA C OBD ? ? 1 +54040 C CBD . CLA EH . 0.3246 0.9469 1.0146 0.1023 0.0825 -0.0374 502 CLA C CBD ? ? 1 +54041 C CGD . CLA EH . 0.3297 0.9577 1.0214 0.0995 0.0901 -0.0388 502 CLA C CGD ? ? 1 +54042 O O1D . CLA EH . 0.3328 0.9741 1.0365 0.1016 0.0946 -0.0408 502 CLA C O1D ? ? 1 +54043 O O2D . CLA EH . 0.3389 0.9570 1.0183 0.0945 0.0929 -0.0381 502 CLA C O2D ? ? 1 +54044 C CED . CLA EH . 0.3479 0.9664 1.0249 0.0961 0.1011 -0.0406 502 CLA C CED ? ? 1 +54045 C C1 . CLA EH . 0.2749 0.9337 1.0052 0.0871 0.0540 -0.0256 502 CLA C C1 ? ? 1 +54046 C C2 . CLA EH . 0.2752 0.9468 1.0188 0.0927 0.0528 -0.0273 502 CLA C C2 ? ? 1 +54047 C C3 . CLA EH . 0.2765 0.9503 1.0239 0.0944 0.0467 -0.0259 502 CLA C C3 ? ? 1 +54048 C C4 . CLA EH . 0.2750 0.9383 1.0138 0.0907 0.0409 -0.0225 502 CLA C C4 ? ? 1 +54049 C C5 . CLA EH . 0.2807 0.9674 1.0411 0.1005 0.0455 -0.0278 502 CLA C C5 ? ? 1 +54050 C C6 . CLA EH . 0.2745 0.9756 1.0475 0.0969 0.0436 -0.0274 502 CLA C C6 ? ? 1 +54051 C C7 . CLA EH . 0.2801 0.9923 1.0646 0.1041 0.0412 -0.0294 502 CLA C C7 ? ? 1 +54052 C C8 . CLA EH . 0.2763 1.0062 1.0763 0.1019 0.0406 -0.0304 502 CLA C C8 ? ? 1 +54053 C C9 . CLA EH . 0.2698 1.0067 1.0745 0.0935 0.0442 -0.0300 502 CLA C C9 ? ? 1 +54054 C C10 . CLA EH . 0.2778 1.0181 1.0884 0.1070 0.0353 -0.0312 502 CLA C C10 ? ? 1 +54055 C C11 . CLA EH . 0.2842 1.0140 1.0869 0.1128 0.0289 -0.0295 502 CLA C C11 ? ? 1 +54056 C C12 . CLA EH . 0.2845 1.0266 1.0991 0.1195 0.0249 -0.0314 502 CLA C C12 ? ? 1 +54057 C C13 . CLA EH . 0.2927 1.0240 1.0989 0.1253 0.0186 -0.0296 502 CLA C C13 ? ? 1 +54058 C C14 . CLA EH . 0.2869 1.0137 1.0889 0.1205 0.0131 -0.0261 502 CLA C C14 ? ? 1 +54059 C C15 . CLA EH . 0.3025 1.0430 1.1178 0.1346 0.0158 -0.0322 502 CLA C C15 ? ? 1 +54060 C C16 . CLA EH . 0.2976 1.0579 1.1298 0.1341 0.0145 -0.0343 502 CLA C C16 ? ? 1 +54061 C C17 . CLA EH . 0.3084 1.0726 1.1448 0.1433 0.0085 -0.0354 502 CLA C C17 ? ? 1 +54062 C C18 . CLA EH . 0.3101 1.0937 1.1632 0.1438 0.0059 -0.0376 502 CLA C C18 ? ? 1 +54063 C C19 . CLA EH . 0.3192 1.1092 1.1783 0.1535 0.0001 -0.0394 502 CLA C C19 ? ? 1 +54064 C C20 . CLA EH . 0.3073 1.1058 1.1728 0.1364 0.0100 -0.0394 502 CLA C C20 ? ? 1 +54065 C C1 . BCR EI . 0.3573 0.8363 1.0531 -0.1588 -0.0218 -0.0215 404 BCR D C1 ? ? 1 +54066 C C2 . BCR EI . 0.3452 0.8425 1.0550 -0.1615 -0.0252 -0.0246 404 BCR D C2 ? ? 1 +54067 C C3 . BCR EI . 0.3381 0.8432 1.0487 -0.1567 -0.0315 -0.0270 404 BCR D C3 ? ? 1 +54068 C C4 . BCR EI . 0.3298 0.8340 1.0330 -0.1475 -0.0320 -0.0230 404 BCR D C4 ? ? 1 +54069 C C5 . BCR EI . 0.3374 0.8258 1.0284 -0.1444 -0.0282 -0.0195 404 BCR D C5 ? ? 1 +54070 C C6 . BCR EI . 0.3504 0.8269 1.0377 -0.1494 -0.0239 -0.0191 404 BCR D C6 ? ? 1 +54071 C C7 . BCR EI . 0.3601 0.8208 1.0353 -0.1462 -0.0206 -0.0159 404 BCR D C7 ? ? 1 +54072 C C8 . BCR EI . 0.3637 0.8164 1.0289 -0.1395 -0.0220 -0.0148 404 BCR D C8 ? ? 1 +54073 C C9 . BCR EI . 0.3712 0.8102 1.0255 -0.1355 -0.0187 -0.0113 404 BCR D C9 ? ? 1 +54074 C C10 . BCR EI . 0.3758 0.8071 1.0208 -0.1293 -0.0205 -0.0114 404 BCR D C10 ? ? 1 +54075 C C11 . BCR EI . 0.3846 0.8038 1.0189 -0.1238 -0.0182 -0.0082 404 BCR D C11 ? ? 1 +54076 C C33 . BCR EI . 0.3305 0.8183 1.0147 -0.1354 -0.0295 -0.0167 404 BCR D C33 ? ? 1 +54077 C C31 . BCR EI . 0.3741 0.8406 1.0650 -0.1640 -0.0223 -0.0254 404 BCR D C31 ? ? 1 +54078 C C32 . BCR EI . 0.3596 0.8346 1.0551 -0.1610 -0.0154 -0.0174 404 BCR D C32 ? ? 1 +54079 C C34 . BCR EI . 0.3734 0.8060 1.0253 -0.1370 -0.0132 -0.0073 404 BCR D C34 ? ? 1 +54080 C C12 . BCR EI . 0.3892 0.8030 1.0158 -0.1175 -0.0204 -0.0087 404 BCR D C12 ? ? 1 +54081 C C13 . BCR EI . 0.3923 0.7978 1.0098 -0.1103 -0.0189 -0.0057 404 BCR D C13 ? ? 1 +54082 C C14 . BCR EI . 0.3960 0.7993 1.0080 -0.1043 -0.0215 -0.0070 404 BCR D C14 ? ? 1 +54083 C C15 . BCR EI . 0.4017 0.7988 1.0057 -0.0966 -0.0208 -0.0047 404 BCR D C15 ? ? 1 +54084 C C16 . BCR EI . 0.4064 0.8030 1.0061 -0.0907 -0.0231 -0.0060 404 BCR D C16 ? ? 1 +54085 C C17 . BCR EI . 0.4158 0.8079 1.0090 -0.0829 -0.0221 -0.0037 404 BCR D C17 ? ? 1 +54086 C C18 . BCR EI . 0.4230 0.8153 1.0121 -0.0765 -0.0238 -0.0047 404 BCR D C18 ? ? 1 +54087 C C19 . BCR EI . 0.4360 0.8242 1.0197 -0.0690 -0.0221 -0.0019 404 BCR D C19 ? ? 1 +54088 C C20 . BCR EI . 0.4489 0.8369 1.0285 -0.0620 -0.0229 -0.0023 404 BCR D C20 ? ? 1 +54089 C C21 . BCR EI . 0.4613 0.8477 1.0376 -0.0549 -0.0213 0.0007 404 BCR D C21 ? ? 1 +54090 C C22 . BCR EI . 0.4787 0.8653 1.0514 -0.0476 -0.0215 0.0004 404 BCR D C22 ? ? 1 +54091 C C23 . BCR EI . 0.5016 0.8890 1.0733 -0.0411 -0.0200 0.0036 404 BCR D C23 ? ? 1 +54092 C C24 . BCR EI . 0.5331 0.9193 1.1010 -0.0336 -0.0197 0.0036 404 BCR D C24 ? ? 1 +54093 C C25 . BCR EI . 0.5549 0.9457 1.1240 -0.0267 -0.0187 0.0066 404 BCR D C25 ? ? 1 +54094 C C26 . BCR EI . 0.5640 0.9656 1.1402 -0.0267 -0.0186 0.0094 404 BCR D C26 ? ? 1 +54095 C C27 . BCR EI . 0.5652 0.9701 1.1419 -0.0197 -0.0178 0.0122 404 BCR D C27 ? ? 1 +54096 C C28 . BCR EI . 0.5755 0.9663 1.1430 -0.0146 -0.0165 0.0126 404 BCR D C28 ? ? 1 +54097 C C29 . BCR EI . 0.5763 0.9607 1.1385 -0.0125 -0.0167 0.0094 404 BCR D C29 ? ? 1 +54098 C C30 . BCR EI . 0.5733 0.9551 1.1348 -0.0194 -0.0177 0.0063 404 BCR D C30 ? ? 1 +54099 C C35 . BCR EI . 0.3930 0.7924 1.0069 -0.1088 -0.0147 -0.0011 404 BCR D C35 ? ? 1 +54100 C C36 . BCR EI . 0.4179 0.8154 1.0087 -0.0775 -0.0272 -0.0086 404 BCR D C36 ? ? 1 +54101 C C37 . BCR EI . 0.4775 0.8641 1.0481 -0.0472 -0.0235 -0.0033 404 BCR D C37 ? ? 1 +54102 C C38 . BCR EI . 0.5710 0.9822 1.1551 -0.0331 -0.0194 0.0100 404 BCR D C38 ? ? 1 +54103 C C39 . BCR EI . 0.5936 0.9576 1.1456 -0.0214 -0.0167 0.0053 404 BCR D C39 ? ? 1 +54104 C C40 . BCR EI . 0.5704 0.9566 1.1320 -0.0167 -0.0185 0.0034 404 BCR D C40 ? ? 1 +54105 C C1 . GOL EJ . 0.7029 1.2767 1.2867 -0.0064 -0.0566 0.0208 303 GOL O C1 ? ? 1 +54106 O O1 . GOL EJ . 0.6651 1.2361 1.2470 -0.0080 -0.0535 0.0202 303 GOL O O1 ? ? 1 +54107 C C2 . GOL EJ . 0.7182 1.3021 1.3156 -0.0086 -0.0571 0.0210 303 GOL O C2 ? ? 1 +54108 O O2 . GOL EJ . 0.6917 1.2767 1.2898 -0.0073 -0.0572 0.0225 303 GOL O O2 ? ? 1 +54109 C C3 . GOL EJ . 0.7551 1.3454 1.3596 -0.0089 -0.0621 0.0186 303 GOL O C3 ? ? 1 +54110 O O3 . GOL EJ . 0.7610 1.3589 1.3772 -0.0122 -0.0606 0.0186 303 GOL O O3 ? ? 1 +54111 MG MG . CLA EK . 0.4729 1.3076 1.4425 -0.2508 -0.0493 -0.1372 601 CLA b MG ? ? 1 +54112 C CHA . CLA EK . 0.4547 1.3103 1.4613 -0.2775 -0.0384 -0.1518 601 CLA b CHA ? ? 1 +54113 C CHB . CLA EK . 0.4303 1.3162 1.4390 -0.2392 -0.0619 -0.1439 601 CLA b CHB ? ? 1 +54114 C CHC . CLA EK . 0.4236 1.2442 1.3617 -0.2269 -0.0685 -0.1298 601 CLA b CHC ? ? 1 +54115 C CHD . CLA EK . 0.4574 1.2428 1.3889 -0.2632 -0.0452 -0.1365 601 CLA b CHD ? ? 1 +54116 N NA . CLA EK . 0.4575 1.3228 1.4590 -0.2568 -0.0503 -0.1460 601 CLA b NA ? ? 1 +54117 C C1A . CLA EK . 0.4594 1.3307 1.4735 -0.2673 -0.0451 -0.1509 601 CLA b C1A ? ? 1 +54118 C C2A . CLA EK . 0.4754 1.3702 1.5125 -0.2685 -0.0446 -0.1552 601 CLA b C2A ? ? 1 +54119 C C3A . CLA EK . 0.4557 1.3583 1.4919 -0.2558 -0.0513 -0.1519 601 CLA b C3A ? ? 1 +54120 C C4A . CLA EK . 0.4464 1.3297 1.4603 -0.2501 -0.0550 -0.1469 601 CLA b C4A ? ? 1 +54121 C CMA . CLA EK . 0.4453 1.3517 1.4842 -0.2514 -0.0445 -0.1469 601 CLA b CMA ? ? 1 +54122 C CAA . CLA EK . 0.5004 1.4120 1.5565 -0.2759 -0.0493 -0.1647 601 CLA b CAA ? ? 1 +54123 C CBA . CLA EK . 0.5330 1.4470 1.5862 -0.2716 -0.0618 -0.1683 601 CLA b CBA ? ? 1 +54124 C CGA . CLA EK . 0.5948 1.5162 1.6596 -0.2813 -0.0653 -0.1771 601 CLA b CGA ? ? 1 +54125 O O1A . CLA EK . 0.5913 1.5077 1.6483 -0.2795 -0.0736 -0.1792 601 CLA b O1A ? ? 1 +54126 O O2A . CLA EK . 0.7030 1.6375 1.7877 -0.2924 -0.0591 -0.1830 601 CLA b O2A ? ? 1 +54127 N NB . CLA EK . 0.4310 1.2808 1.4035 -0.2363 -0.0629 -0.1370 601 CLA b NB ? ? 1 +54128 C C1B . CLA EK . 0.4237 1.2934 1.4123 -0.2325 -0.0663 -0.1393 601 CLA b C1B ? ? 1 +54129 C C2B . CLA EK . 0.4085 1.2846 1.3947 -0.2214 -0.0757 -0.1380 601 CLA b C2B ? ? 1 +54130 C C3B . CLA EK . 0.4127 1.2694 1.3779 -0.2180 -0.0776 -0.1339 601 CLA b C3B ? ? 1 +54131 C C4B . CLA EK . 0.4238 1.2656 1.3820 -0.2272 -0.0692 -0.1333 601 CLA b C4B ? ? 1 +54132 C CMB . CLA EK . 0.4001 1.2965 1.4011 -0.2151 -0.0814 -0.1402 601 CLA b CMB ? ? 1 +54133 C CAB . CLA EK . 0.4016 1.2557 1.3561 -0.2071 -0.0856 -0.1307 601 CLA b CAB ? ? 1 +54134 C CBB . CLA EK . 0.4077 1.2442 1.3429 -0.2028 -0.0856 -0.1255 601 CLA b CBB ? ? 1 +54135 N NC . CLA EK . 0.4482 1.2589 1.3911 -0.2464 -0.0557 -0.1343 601 CLA b NC ? ? 1 +54136 C C1C . CLA EK . 0.4324 1.2390 1.3641 -0.2363 -0.0626 -0.1309 601 CLA b C1C ? ? 1 +54137 C C2C . CLA EK . 0.4315 1.2191 1.3439 -0.2348 -0.0648 -0.1288 601 CLA b C2C ? ? 1 +54138 C C3C . CLA EK . 0.4375 1.2146 1.3478 -0.2453 -0.0580 -0.1308 601 CLA b C3C ? ? 1 +54139 C C4C . CLA EK . 0.4466 1.2382 1.3754 -0.2515 -0.0527 -0.1336 601 CLA b C4C ? ? 1 +54140 C CMC . CLA EK . 0.4278 1.2076 1.3254 -0.2252 -0.0716 -0.1254 601 CLA b CMC ? ? 1 +54141 C CAC . CLA EK . 0.4410 1.1967 1.3337 -0.2483 -0.0563 -0.1296 601 CLA b CAC ? ? 1 +54142 C CBC . CLA EK . 0.4333 1.1740 1.3142 -0.2476 -0.0468 -0.1225 601 CLA b CBC ? ? 1 +54143 N ND . CLA EK . 0.4574 1.2821 1.4269 -0.2659 -0.0460 -0.1437 601 CLA b ND ? ? 1 +54144 C C1D . CLA EK . 0.4590 1.2605 1.4105 -0.2704 -0.0412 -0.1412 601 CLA b C1D ? ? 1 +54145 C C2D . CLA EK . 0.4644 1.2623 1.4215 -0.2829 -0.0333 -0.1447 601 CLA b C2D ? ? 1 +54146 C C3D . CLA EK . 0.4688 1.2892 1.4482 -0.2853 -0.0324 -0.1487 601 CLA b C3D ? ? 1 +54147 C C4D . CLA EK . 0.4605 1.2936 1.4447 -0.2754 -0.0389 -0.1473 601 CLA b C4D ? ? 1 +54148 C CMD . CLA EK . 0.4751 1.2539 1.4213 -0.2920 -0.0268 -0.1449 601 CLA b CMD ? ? 1 +54149 C CAD . CLA EK . 0.4704 1.3039 1.4689 -0.2950 -0.0261 -0.1536 601 CLA b CAD ? ? 1 +54150 O OBD . CLA EK . 0.4816 1.3067 1.4799 -0.3058 -0.0188 -0.1557 601 CLA b OBD ? ? 1 +54151 C CBD . CLA EK . 0.4547 1.3120 1.4718 -0.2902 -0.0298 -0.1559 601 CLA b CBD ? ? 1 +54152 C CGD . CLA EK . 0.4387 1.3005 1.4625 -0.2912 -0.0201 -0.1527 601 CLA b CGD ? ? 1 +54153 O O1D . CLA EK . 0.4319 1.3128 1.4754 -0.2942 -0.0189 -0.1571 601 CLA b O1D ? ? 1 +54154 O O2D . CLA EK . 0.4292 1.2737 1.4369 -0.2886 -0.0118 -0.1448 601 CLA b O2D ? ? 1 +54155 C CED . CLA EK . 0.4197 1.2721 1.4353 -0.2874 -0.0047 -0.1422 601 CLA b CED ? ? 1 +54156 C C1 . CLA EK . 0.7721 1.7023 1.8611 -0.3057 -0.0547 -0.1884 601 CLA b C1 ? ? 1 +54157 C C2 . CLA EK . 0.8265 1.7308 1.8928 -0.3082 -0.0532 -0.1851 601 CLA b C2 ? ? 1 +54158 C C3 . CLA EK . 0.8543 1.7415 1.9118 -0.3172 -0.0435 -0.1835 601 CLA b C3 ? ? 1 +54159 C C4 . CLA EK . 0.8544 1.7461 1.9240 -0.3270 -0.0319 -0.1848 601 CLA b C4 ? ? 1 +54160 C C5 . CLA EK . 0.8498 1.7119 1.8837 -0.3171 -0.0443 -0.1802 601 CLA b C5 ? ? 1 +54161 C C6 . CLA EK . 0.8317 1.6824 1.8469 -0.3042 -0.0475 -0.1721 601 CLA b C6 ? ? 1 +54162 C C7 . CLA EK . 0.8171 1.6755 1.8316 -0.2958 -0.0608 -0.1745 601 CLA b C7 ? ? 1 +54163 C C8 . CLA EK . 0.8126 1.6604 1.8087 -0.2831 -0.0655 -0.1675 601 CLA b C8 ? ? 1 +54164 C C9 . CLA EK . 0.8123 1.6359 1.7848 -0.2816 -0.0658 -0.1636 601 CLA b C9 ? ? 1 +54165 C C10 . CLA EK . 0.7883 1.6472 1.7879 -0.2720 -0.0682 -0.1633 601 CLA b C10 ? ? 1 +54166 C C11 . CLA EK . 0.7510 1.6087 1.7409 -0.2620 -0.0793 -0.1625 601 CLA b C11 ? ? 1 +54167 C C12 . CLA EK . 0.7191 1.5788 1.7037 -0.2498 -0.0811 -0.1561 601 CLA b C12 ? ? 1 +54168 C C13 . CLA EK . 0.7180 1.5963 1.7134 -0.2426 -0.0918 -0.1597 601 CLA b C13 ? ? 1 +54169 C C14 . CLA EK . 0.7346 1.6335 1.7508 -0.2430 -0.0894 -0.1617 601 CLA b C14 ? ? 1 +54170 C C15 . CLA EK . 0.6980 1.5686 1.6778 -0.2304 -0.0972 -0.1538 601 CLA b C15 ? ? 1 +54171 C C16 . CLA EK . 0.6930 1.5783 1.6795 -0.2228 -0.1088 -0.1572 601 CLA b C16 ? ? 1 +54172 C C17 . CLA EK . 0.6670 1.5507 1.6448 -0.2106 -0.1108 -0.1504 601 CLA b C17 ? ? 1 +54173 C C18 . CLA EK . 0.6526 1.5523 1.6384 -0.2021 -0.1210 -0.1529 601 CLA b C18 ? ? 1 +54174 C C19 . CLA EK . 0.6769 1.5947 1.6795 -0.2050 -0.1292 -0.1619 601 CLA b C19 ? ? 1 +54175 C C20 . CLA EK . 0.6321 1.5275 1.6060 -0.1898 -0.1244 -0.1465 601 CLA b C20 ? ? 1 +54176 C C1B . LMT EL . 1.2488 1.8829 1.9353 -0.0519 -0.0050 0.0333 627 LMT b C1B ? ? 1 +54177 O O1B . LMT EL . 1.3565 1.9965 2.0500 -0.0541 -0.0037 0.0318 627 LMT b O1B ? ? 1 +54178 C C1' . LMT EL . 1.0135 1.6754 1.7290 -0.0546 -0.0089 0.0285 627 LMT b C1' ? ? 1 +54179 C C2' . LMT EL . 1.1528 1.8120 1.8644 -0.0518 -0.0098 0.0301 627 LMT b C2' ? ? 1 +54180 C C3' . LMT EL . 1.2978 1.9503 2.0028 -0.0522 -0.0072 0.0309 627 LMT b C3' ? ? 1 +54181 C C4' . LMT EL . 1.3308 1.9777 2.0311 -0.0538 -0.0062 0.0311 627 LMT b C4' ? ? 1 +54182 C C5' . LMT EL . 1.2525 1.9023 1.9571 -0.0571 -0.0048 0.0294 627 LMT b C5' ? ? 1 +54183 C C6' . LMT EL . 1.2705 1.9144 1.9704 -0.0591 -0.0037 0.0294 627 LMT b C6' ? ? 1 +54184 O O1' . LMT EL . 0.7951 1.4617 1.5146 -0.0536 -0.0120 0.0281 627 LMT b O1' ? ? 1 +54185 O O2' . LMT EL . 1.1081 1.7722 1.8242 -0.0503 -0.0103 0.0298 627 LMT b O2' ? ? 1 +54186 O O3' . LMT EL . 1.2988 1.9489 2.0002 -0.0495 -0.0087 0.0322 627 LMT b O3' ? ? 1 +54187 O O5' . LMT EL . 1.1031 1.7595 1.8138 -0.0564 -0.0077 0.0287 627 LMT b O5' ? ? 1 +54188 O O6' . LMT EL . 1.2568 1.9002 1.9556 -0.0577 -0.0067 0.0299 627 LMT b O6' ? ? 1 +54189 C C1 . LMT EL . 0.6578 1.3315 1.3842 -0.0532 -0.0127 0.0269 627 LMT b C1 ? ? 1 +54190 C C2 . LMT EL . 0.5865 1.2640 1.3166 -0.0538 -0.0149 0.0258 627 LMT b C2 ? ? 1 +54191 C C3 . LMT EL . 0.5485 1.2328 1.2846 -0.0520 -0.0171 0.0250 627 LMT b C3 ? ? 1 +54192 C C4 . LMT EL . 0.5094 1.1994 1.2521 -0.0536 -0.0156 0.0229 627 LMT b C4 ? ? 1 +54193 C C5 . LMT EL . 0.5041 1.2007 1.2525 -0.0513 -0.0181 0.0220 627 LMT b C5 ? ? 1 +54194 C C6 . LMT EL . 0.5451 1.2464 1.2977 -0.0520 -0.0206 0.0203 627 LMT b C6 ? ? 1 +54195 C C7 . LMT EL . 0.5506 1.2588 1.3092 -0.0496 -0.0230 0.0191 627 LMT b C7 ? ? 1 +54196 C C8 . LMT EL . 0.5463 1.2551 1.3038 -0.0474 -0.0272 0.0194 627 LMT b C8 ? ? 1 +54197 C C9 . LMT EL . 0.5539 1.2698 1.3176 -0.0454 -0.0299 0.0176 627 LMT b C9 ? ? 1 +54198 C C10 . LMT EL . 0.5478 1.2631 1.3095 -0.0413 -0.0327 0.0191 627 LMT b C10 ? ? 1 +54199 C C11 . LMT EL . 0.5346 1.2445 1.2896 -0.0402 -0.0346 0.0211 627 LMT b C11 ? ? 1 +54200 C C12 . LMT EL . 0.5360 1.2457 1.2895 -0.0363 -0.0374 0.0222 627 LMT b C12 ? ? 1 +54201 CA CA . CA EM . 1.0672 1.2442 1.0195 0.1041 -0.0187 -0.0413 524 CA c CA ? ? 1 +54202 CL CL A CL EN . 0.1057 0.7183 0.7639 -0.0239 -0.0048 0.0218 402 CL A CL ? ? 1 +54203 CL CL B CL EN . 0.1029 0.7171 0.7638 -0.0240 -0.0062 0.0220 402 CL A CL ? ? 1 +54204 MG MG . CLA EO . 0.2424 0.7856 0.9297 -0.1077 0.0350 0.0511 608 CLA B MG ? ? 1 +54205 C CHA . CLA EO . 0.2702 0.7909 0.9412 -0.1145 0.0499 0.0570 608 CLA B CHA ? ? 1 +54206 C CHB . CLA EO . 0.2647 0.7766 0.9264 -0.1005 0.0321 0.0548 608 CLA B CHB ? ? 1 +54207 C CHC . CLA EO . 0.2235 0.7837 0.9267 -0.1059 0.0224 0.0437 608 CLA B CHC ? ? 1 +54208 C CHD . CLA EO . 0.2264 0.7996 0.9441 -0.1195 0.0393 0.0447 608 CLA B CHD ? ? 1 +54209 N NA . CLA EO . 0.2634 0.7840 0.9334 -0.1078 0.0397 0.0551 608 CLA B NA ? ? 1 +54210 C C1A . CLA EO . 0.2736 0.7866 0.9379 -0.1103 0.0453 0.0573 608 CLA B C1A ? ? 1 +54211 C C2A . CLA EO . 0.2887 0.7849 0.9379 -0.1072 0.0467 0.0607 608 CLA B C2A ? ? 1 +54212 C C3A . CLA EO . 0.2835 0.7792 0.9307 -0.1017 0.0405 0.0601 608 CLA B C3A ? ? 1 +54213 C C4A . CLA EO . 0.2694 0.7797 0.9300 -0.1036 0.0372 0.0564 608 CLA B C4A ? ? 1 +54214 C CMA . CLA EO . 0.2795 0.7765 0.9213 -0.0940 0.0372 0.0622 608 CLA B CMA ? ? 1 +54215 C CAA . CLA EO . 0.3077 0.7899 0.9503 -0.1126 0.0520 0.0615 608 CLA B CAA ? ? 1 +54216 C CBA . CLA EO . 0.3120 0.7930 0.9595 -0.1170 0.0509 0.0584 608 CLA B CBA ? ? 1 +54217 C CGA . CLA EO . 0.3042 0.8001 0.9672 -0.1227 0.0510 0.0547 608 CLA B CGA ? ? 1 +54218 O O1A . CLA EO . 0.3010 0.8034 0.9698 -0.1264 0.0549 0.0545 608 CLA B O1A ? ? 1 +54219 O O2A . CLA EO . 0.3024 0.8050 0.9730 -0.1231 0.0460 0.0512 608 CLA B O2A ? ? 1 +54220 N NB . CLA EO . 0.2443 0.7820 0.9283 -0.1045 0.0288 0.0495 608 CLA B NB ? ? 1 +54221 C C1B . CLA EO . 0.2532 0.7782 0.9263 -0.1013 0.0281 0.0514 608 CLA B C1B ? ? 1 +54222 C C2B . CLA EO . 0.2518 0.7755 0.9244 -0.0987 0.0234 0.0497 608 CLA B C2B ? ? 1 +54223 C C3B . CLA EO . 0.2400 0.7777 0.9247 -0.1007 0.0207 0.0464 608 CLA B C3B ? ? 1 +54224 C C4B . CLA EO . 0.2356 0.7811 0.9263 -0.1037 0.0240 0.0466 608 CLA B C4B ? ? 1 +54225 C CMB . CLA EO . 0.2602 0.7710 0.9221 -0.0948 0.0220 0.0511 608 CLA B CMB ? ? 1 +54226 C CAB . CLA EO . 0.2343 0.7777 0.9236 -0.0990 0.0156 0.0436 608 CLA B CAB ? ? 1 +54227 C CBB . CLA EO . 0.2355 0.7736 0.9188 -0.0942 0.0124 0.0441 608 CLA B CBB ? ? 1 +54228 N NC . CLA EO . 0.2286 0.7900 0.9342 -0.1120 0.0316 0.0457 608 CLA B NC ? ? 1 +54229 C C1C . CLA EO . 0.2212 0.7883 0.9313 -0.1102 0.0262 0.0432 608 CLA B C1C ? ? 1 +54230 C C2C . CLA EO . 0.2123 0.7928 0.9351 -0.1131 0.0242 0.0396 608 CLA B C2C ? ? 1 +54231 C C3C . CLA EO . 0.2140 0.7988 0.9416 -0.1170 0.0291 0.0398 608 CLA B C3C ? ? 1 +54232 C C4C . CLA EO . 0.2228 0.7956 0.9392 -0.1159 0.0333 0.0436 608 CLA B C4C ? ? 1 +54233 C CMC . CLA EO . 0.2049 0.7927 0.9338 -0.1120 0.0186 0.0364 608 CLA B CMC ? ? 1 +54234 C CAC . CLA EO . 0.2083 0.8068 0.9491 -0.1209 0.0296 0.0368 608 CLA B CAC ? ? 1 +54235 C CBC . CLA EO . 0.1983 0.8064 0.9419 -0.1161 0.0279 0.0376 608 CLA B CBC ? ? 1 +54236 N ND . CLA EO . 0.2469 0.7926 0.9411 -0.1168 0.0429 0.0503 608 CLA B ND ? ? 1 +54237 C C1D . CLA EO . 0.2372 0.7973 0.9434 -0.1193 0.0439 0.0483 608 CLA B C1D ? ? 1 +54238 C C2D . CLA EO . 0.2436 0.8026 0.9485 -0.1219 0.0503 0.0501 608 CLA B C2D ? ? 1 +54239 C C3D . CLA EO . 0.2556 0.7981 0.9458 -0.1199 0.0526 0.0537 608 CLA B C3D ? ? 1 +54240 C C4D . CLA EO . 0.2561 0.7931 0.9417 -0.1168 0.0480 0.0536 608 CLA B C4D ? ? 1 +54241 C CMD . CLA EO . 0.2400 0.8101 0.9545 -0.1252 0.0540 0.0489 608 CLA B CMD ? ? 1 +54242 C CAD . CLA EO . 0.2685 0.7982 0.9467 -0.1198 0.0581 0.0574 608 CLA B CAD ? ? 1 +54243 O OBD . CLA EO . 0.2732 0.8031 0.9509 -0.1221 0.0636 0.0587 608 CLA B OBD ? ? 1 +54244 C CBD . CLA EO . 0.2783 0.7933 0.9436 -0.1162 0.0562 0.0597 608 CLA B CBD ? ? 1 +54245 C CGD . CLA EO . 0.2795 0.7888 0.9339 -0.1099 0.0559 0.0632 608 CLA B CGD ? ? 1 +54246 O O1D . CLA EO . 0.2683 0.7847 0.9240 -0.1045 0.0515 0.0633 608 CLA B O1D ? ? 1 +54247 O O2D . CLA EO . 0.2949 0.7895 0.9365 -0.1103 0.0611 0.0666 608 CLA B O2D ? ? 1 +54248 C CED . CLA EO . 0.2977 0.7880 0.9295 -0.1038 0.0599 0.0696 608 CLA B CED ? ? 1 +54249 C C1 . CLA EO . 0.2967 0.8140 0.9816 -0.1274 0.0451 0.0475 608 CLA B C1 ? ? 1 +54250 C C2 . CLA EO . 0.3016 0.8173 0.9903 -0.1313 0.0431 0.0442 608 CLA B C2 ? ? 1 +54251 C C3 . CLA EO . 0.2957 0.8199 0.9906 -0.1290 0.0372 0.0415 608 CLA B C3 ? ? 1 +54252 C C4 . CLA EO . 0.2800 0.8154 0.9784 -0.1227 0.0326 0.0417 608 CLA B C4 ? ? 1 +54253 C C5 . CLA EO . 0.3058 0.8280 1.0040 -0.1332 0.0353 0.0380 608 CLA B C5 ? ? 1 +54254 C C6 . CLA EO . 0.3023 0.8394 1.0154 -0.1384 0.0347 0.0340 608 CLA B C6 ? ? 1 +54255 C C7 . CLA EO . 0.3079 0.8449 1.0248 -0.1415 0.0312 0.0301 608 CLA B C7 ? ? 1 +54256 C C8 . CLA EO . 0.3129 0.8601 1.0429 -0.1487 0.0319 0.0259 608 CLA B C8 ? ? 1 +54257 C C9 . CLA EO . 0.3113 0.8667 1.0501 -0.1540 0.0368 0.0255 608 CLA B C9 ? ? 1 +54258 C C10 . CLA EO . 0.3163 0.8669 1.0510 -0.1499 0.0265 0.0217 608 CLA B C10 ? ? 1 +54259 C C11 . CLA EO . 0.3126 0.8794 1.0623 -0.1537 0.0245 0.0175 608 CLA B C11 ? ? 1 +54260 C C12 . CLA EO . 0.3172 0.8863 1.0704 -0.1546 0.0189 0.0133 608 CLA B C12 ? ? 1 +54261 C C13 . CLA EO . 0.3153 0.9018 1.0829 -0.1566 0.0159 0.0094 608 CLA B C13 ? ? 1 +54262 C C14 . CLA EO . 0.3209 0.9112 1.0978 -0.1652 0.0199 0.0067 608 CLA B C14 ? ? 1 +54263 C C15 . CLA EO . 0.3205 0.9109 1.0901 -0.1545 0.0089 0.0060 608 CLA B C15 ? ? 1 +54264 C C16 . CLA EO . 0.3154 0.9234 1.0967 -0.1529 0.0048 0.0033 608 CLA B C16 ? ? 1 +54265 C C17 . CLA EO . 0.3156 0.9249 1.0926 -0.1458 -0.0013 0.0034 608 CLA B C17 ? ? 1 +54266 C C18 . CLA EO . 0.3090 0.9331 1.0954 -0.1438 -0.0068 0.0002 608 CLA B C18 ? ? 1 +54267 C C19 . CLA EO . 0.3173 0.9498 1.1145 -0.1493 -0.0093 -0.0051 608 CLA B C19 ? ? 1 +54268 C C20 . CLA EO . 0.2999 0.9309 1.0856 -0.1366 -0.0092 0.0023 608 CLA B C20 ? ? 1 +54269 MG MG . CLA EP . 0.2949 0.8518 0.9484 0.0887 0.0244 -0.0153 503 CLA C MG ? ? 1 +54270 C CHA . CLA EP . 0.2941 0.8683 0.9563 0.0906 0.0374 -0.0207 503 CLA C CHA ? ? 1 +54271 C CHB . CLA EP . 0.3235 0.8455 0.9475 0.0896 0.0266 -0.0185 503 CLA C CHB ? ? 1 +54272 C CHC . CLA EP . 0.3038 0.8416 0.9480 0.0915 0.0135 -0.0108 503 CLA C CHC ? ? 1 +54273 C CHD . CLA EP . 0.2727 0.8654 0.9578 0.0946 0.0219 -0.0145 503 CLA C CHD ? ? 1 +54274 N NA . CLA EP . 0.3062 0.8556 0.9508 0.0904 0.0306 -0.0188 503 CLA C NA ? ? 1 +54275 C C1A . CLA EP . 0.3047 0.8621 0.9534 0.0906 0.0353 -0.0205 503 CLA C C1A ? ? 1 +54276 C C2A . CLA EP . 0.3148 0.8630 0.9534 0.0902 0.0391 -0.0225 503 CLA C C2A ? ? 1 +54277 C C3A . CLA EP . 0.3231 0.8550 0.9499 0.0897 0.0353 -0.0219 503 CLA C C3A ? ? 1 +54278 C C4A . CLA EP . 0.3170 0.8515 0.9491 0.0901 0.0304 -0.0196 503 CLA C C4A ? ? 1 +54279 C CMA . CLA EP . 0.3240 0.8475 0.9414 0.0829 0.0345 -0.0213 503 CLA C CMA ? ? 1 +54280 C CAA . CLA EP . 0.3239 0.8751 0.9645 0.0969 0.0442 -0.0255 503 CLA C CAA ? ? 1 +54281 C CBA . CLA EP . 0.3308 0.8804 0.9734 0.1042 0.0423 -0.0261 503 CLA C CBA ? ? 1 +54282 C CGA . CLA EP . 0.3373 0.8941 0.9856 0.1109 0.0472 -0.0291 503 CLA C CGA ? ? 1 +54283 O O1A . CLA EP . 0.3429 0.8990 0.9880 0.1110 0.0523 -0.0311 503 CLA C O1A ? ? 1 +54284 O O2A . CLA EP . 0.3392 0.9035 0.9965 0.1175 0.0457 -0.0295 503 CLA C O2A ? ? 1 +54285 N NB . CLA EP . 0.3106 0.8452 0.9485 0.0907 0.0208 -0.0148 503 CLA C NB ? ? 1 +54286 C C1B . CLA EP . 0.3212 0.8427 0.9477 0.0899 0.0219 -0.0161 503 CLA C C1B ? ? 1 +54287 C C2B . CLA EP . 0.3320 0.8381 0.9485 0.0900 0.0185 -0.0153 503 CLA C C2B ? ? 1 +54288 C C3B . CLA EP . 0.3268 0.8382 0.9498 0.0907 0.0150 -0.0129 503 CLA C C3B ? ? 1 +54289 C C4B . CLA EP . 0.3130 0.8417 0.9485 0.0907 0.0165 -0.0128 503 CLA C C4B ? ? 1 +54290 C CMB . CLA EP . 0.3452 0.8347 0.9484 0.0894 0.0187 -0.0166 503 CLA C CMB ? ? 1 +54291 C CAB . CLA EP . 0.3332 0.8352 0.9514 0.0905 0.0108 -0.0107 503 CLA C CAB ? ? 1 +54292 C CBB . CLA EP . 0.3417 0.8294 0.9494 0.0870 0.0092 -0.0103 503 CLA C CBB ? ? 1 +54293 N NC . CLA EP . 0.2885 0.8521 0.9508 0.0928 0.0190 -0.0132 503 CLA C NC ? ? 1 +54294 C C1C . CLA EP . 0.2921 0.8465 0.9491 0.0931 0.0147 -0.0112 503 CLA C C1C ? ? 1 +54295 C C2C . CLA EP . 0.2866 0.8477 0.9505 0.0956 0.0111 -0.0096 503 CLA C C2C ? ? 1 +54296 C C3C . CLA EP . 0.2765 0.8543 0.9529 0.0965 0.0133 -0.0109 503 CLA C C3C ? ? 1 +54297 C C4C . CLA EP . 0.2788 0.8567 0.9532 0.0942 0.0182 -0.0128 503 CLA C C4C ? ? 1 +54298 C CMC . CLA EP . 0.2911 0.8436 0.9502 0.0967 0.0065 -0.0073 503 CLA C CMC ? ? 1 +54299 C CAC . CLA EP . 0.2671 0.8581 0.9549 0.0988 0.0110 -0.0103 503 CLA C CAC ? ? 1 +54300 C CBC . CLA EP . 0.2554 0.8512 0.9462 0.0911 0.0092 -0.0079 503 CLA C CBC ? ? 1 +54301 N ND . CLA EP . 0.2882 0.8658 0.9580 0.0936 0.0287 -0.0175 503 CLA C ND ? ? 1 +54302 C C1D . CLA EP . 0.2767 0.8689 0.9592 0.0932 0.0271 -0.0165 503 CLA C C1D ? ? 1 +54303 C C2D . CLA EP . 0.2720 0.8779 0.9641 0.0923 0.0318 -0.0182 503 CLA C C2D ? ? 1 +54304 C C3D . CLA EP . 0.2791 0.8769 0.9623 0.0910 0.0361 -0.0197 503 CLA C C3D ? ? 1 +54305 C C4D . CLA EP . 0.2862 0.8688 0.9575 0.0911 0.0336 -0.0190 503 CLA C C4D ? ? 1 +54306 C CMD . CLA EP . 0.2620 0.8852 0.9686 0.0921 0.0326 -0.0186 503 CLA C CMD ? ? 1 +54307 C CAD . CLA EP . 0.2812 0.8813 0.9635 0.0895 0.0421 -0.0216 503 CLA C CAD ? ? 1 +54308 O OBD . CLA EP . 0.2760 0.8889 0.9677 0.0883 0.0461 -0.0226 503 CLA C OBD ? ? 1 +54309 C CBD . CLA EP . 0.2910 0.8752 0.9589 0.0890 0.0429 -0.0221 503 CLA C CBD ? ? 1 +54310 C CGD . CLA EP . 0.2862 0.8672 0.9487 0.0814 0.0430 -0.0207 503 CLA C CGD ? ? 1 +54311 O O1D . CLA EP . 0.2917 0.8633 0.9441 0.0794 0.0448 -0.0214 503 CLA C O1D ? ? 1 +54312 O O2D . CLA EP . 0.2737 0.8633 0.9434 0.0762 0.0406 -0.0184 503 CLA C O2D ? ? 1 +54313 C CED . CLA EP . 0.2715 0.8579 0.9359 0.0694 0.0406 -0.0171 503 CLA C CED ? ? 1 +54314 C C1 . CLA EP . 0.3442 0.9198 1.0108 0.1234 0.0501 -0.0322 503 CLA C C1 ? ? 1 +54315 C C2 . CLA EP . 0.3590 0.9258 1.0200 0.1317 0.0502 -0.0340 503 CLA C C2 ? ? 1 +54316 C C3 . CLA EP . 0.3629 0.9369 1.0321 0.1390 0.0491 -0.0351 503 CLA C C3 ? ? 1 +54317 C C4 . CLA EP . 0.3507 0.9429 1.0358 0.1391 0.0478 -0.0346 503 CLA C C4 ? ? 1 +54318 C C5 . CLA EP . 0.3789 0.9423 1.0410 0.1475 0.0493 -0.0369 503 CLA C C5 ? ? 1 +54319 C C6 . CLA EP . 0.3848 0.9568 1.0530 0.1535 0.0554 -0.0405 503 CLA C C6 ? ? 1 +54320 C C7 . CLA EP . 0.3844 0.9579 1.0505 0.1482 0.0614 -0.0417 503 CLA C C7 ? ? 1 +54321 C C8 . CLA EP . 0.3858 0.9718 1.0609 0.1519 0.0683 -0.0450 503 CLA C C8 ? ? 1 +54322 C C9 . CLA EP . 0.3819 0.9857 1.0736 0.1578 0.0693 -0.0468 503 CLA C C9 ? ? 1 +54323 C C10 . CLA EP . 0.3935 0.9728 1.0596 0.1490 0.0744 -0.0465 503 CLA C C10 ? ? 1 +54324 C C11 . CLA EP . 0.4000 0.9875 1.0714 0.1536 0.0820 -0.0501 503 CLA C C11 ? ? 1 +54325 C C12 . CLA EP . 0.4056 0.9846 1.0660 0.1483 0.0869 -0.0505 503 CLA C C12 ? ? 1 +54326 C C13 . CLA EP . 0.4108 0.9979 1.0757 0.1508 0.0954 -0.0537 503 CLA C C13 ? ? 1 +54327 C C14 . CLA EP . 0.4131 0.9935 1.0680 0.1441 0.0996 -0.0533 503 CLA C C14 ? ? 1 +54328 C C15 . CLA EP . 0.4280 1.0086 1.0885 0.1603 0.0973 -0.0566 503 CLA C C15 ? ? 1 +54329 C C16 . CLA EP . 0.4433 1.0157 1.0937 0.1624 0.1044 -0.0594 503 CLA C C16 ? ? 1 +54330 C C17 . CLA EP . 0.4441 1.0328 1.1082 0.1673 0.1113 -0.0625 503 CLA C C17 ? ? 1 +54331 C C18 . CLA EP . 0.4592 1.0433 1.1178 0.1739 0.1181 -0.0661 503 CLA C C18 ? ? 1 +54332 C C19 . CLA EP . 0.4629 1.0573 1.1332 0.1834 0.1194 -0.0689 503 CLA C C19 ? ? 1 +54333 C C20 . CLA EP . 0.4681 1.0419 1.1133 0.1696 0.1238 -0.0668 503 CLA C C20 ? ? 1 +54334 C C2 A PL9 EQ . 0.1967 0.7672 0.8449 0.0497 -0.0521 0.0469 405 PL9 D C2 ? ? 1 +54335 C C2 B PL9 EQ . 0.1962 0.7661 0.8437 0.0498 -0.0523 0.0471 405 PL9 D C2 ? ? 1 +54336 C C3 A PL9 EQ . 0.1897 0.7714 0.8445 0.0500 -0.0545 0.0458 405 PL9 D C3 ? ? 1 +54337 C C3 B PL9 EQ . 0.1898 0.7705 0.8434 0.0504 -0.0548 0.0461 405 PL9 D C3 ? ? 1 +54338 C C4 A PL9 EQ . 0.1949 0.7746 0.8446 0.0534 -0.0576 0.0471 405 PL9 D C4 ? ? 1 +54339 C C4 B PL9 EQ . 0.1960 0.7739 0.8438 0.0542 -0.0580 0.0474 405 PL9 D C4 ? ? 1 +54340 C C5 A PL9 EQ . 0.2094 0.7752 0.8468 0.0576 -0.0585 0.0494 405 PL9 D C5 ? ? 1 +54341 C C5 B PL9 EQ . 0.2108 0.7748 0.8466 0.0587 -0.0589 0.0496 405 PL9 D C5 ? ? 1 +54342 C C6 A PL9 EQ . 0.2171 0.7713 0.8478 0.0572 -0.0559 0.0507 405 PL9 D C6 ? ? 1 +54343 C C6 B PL9 EQ . 0.2178 0.7704 0.8472 0.0577 -0.0559 0.0509 405 PL9 D C6 ? ? 1 +54344 C C1 A PL9 EQ . 0.2109 0.7672 0.8471 0.0530 -0.0525 0.0494 405 PL9 D C1 ? ? 1 +54345 C C1 B PL9 EQ . 0.2105 0.7660 0.8460 0.0531 -0.0525 0.0495 405 PL9 D C1 ? ? 1 +54346 C C7 A PL9 EQ . 0.1771 0.7725 0.8437 0.0465 -0.0537 0.0434 405 PL9 D C7 ? ? 1 +54347 C C7 B PL9 EQ . 0.1772 0.7719 0.8427 0.0468 -0.0542 0.0437 405 PL9 D C7 ? ? 1 +54348 C C8 A PL9 EQ . 0.1709 0.7668 0.8388 0.0390 -0.0505 0.0442 405 PL9 D C8 ? ? 1 +54349 C C8 B PL9 EQ . 0.1711 0.7663 0.8380 0.0393 -0.0509 0.0445 405 PL9 D C8 ? ? 1 +54350 C C9 A PL9 EQ . 0.1634 0.7673 0.8365 0.0350 -0.0505 0.0438 405 PL9 D C9 ? ? 1 +54351 C C9 B PL9 EQ . 0.1634 0.7671 0.8361 0.0352 -0.0507 0.0440 405 PL9 D C9 ? ? 1 +54352 C C10 A PL9 EQ . 0.1585 0.7722 0.8369 0.0371 -0.0537 0.0425 405 PL9 D C10 ? ? 1 +54353 C C10 B PL9 EQ . 0.1578 0.7718 0.8362 0.0370 -0.0538 0.0425 405 PL9 D C10 ? ? 1 +54354 C C11 A PL9 EQ . 0.1589 0.7622 0.8327 0.0281 -0.0472 0.0446 405 PL9 D C11 ? ? 1 +54355 C C11 B PL9 EQ . 0.1592 0.7625 0.8329 0.0283 -0.0473 0.0446 405 PL9 D C11 ? ? 1 +54356 C C12 A PL9 EQ . 0.1489 0.7629 0.8323 0.0247 -0.0461 0.0425 405 PL9 D C12 ? ? 1 +54357 C C12 B PL9 EQ . 0.1501 0.7635 0.8332 0.0250 -0.0460 0.0424 405 PL9 D C12 ? ? 1 +54358 C C13 A PL9 EQ . 0.1458 0.7583 0.8295 0.0186 -0.0430 0.0431 405 PL9 D C13 ? ? 1 +54359 C C13 B PL9 EQ . 0.1475 0.7595 0.8309 0.0188 -0.0429 0.0431 405 PL9 D C13 ? ? 1 +54360 C C14 A PL9 EQ . 0.1398 0.7589 0.8298 0.0151 -0.0414 0.0416 405 PL9 D C14 ? ? 1 +54361 C C14 B PL9 EQ . 0.1417 0.7606 0.8316 0.0152 -0.0414 0.0416 405 PL9 D C14 ? ? 1 +54362 C C15 A PL9 EQ . 0.1334 0.7627 0.8316 0.0165 -0.0420 0.0391 405 PL9 D C15 ? ? 1 +54363 C C15 B PL9 EQ . 0.1353 0.7645 0.8334 0.0166 -0.0420 0.0391 405 PL9 D C15 ? ? 1 +54364 C C16 A PL9 EQ . 0.1384 0.7549 0.8276 0.0096 -0.0387 0.0423 405 PL9 D C16 ? ? 1 +54365 C C16 B PL9 EQ . 0.1407 0.7571 0.8299 0.0096 -0.0387 0.0423 405 PL9 D C16 ? ? 1 +54366 C C17 A PL9 EQ . 0.1452 0.7537 0.8278 0.0073 -0.0379 0.0447 405 PL9 D C17 ? ? 1 +54367 C C17 B PL9 EQ . 0.1478 0.7561 0.8303 0.0072 -0.0378 0.0447 405 PL9 D C17 ? ? 1 +54368 C C18 A PL9 EQ . 0.1423 0.7507 0.8260 0.0018 -0.0355 0.0449 405 PL9 D C18 ? ? 1 +54369 C C18 B PL9 EQ . 0.1449 0.7535 0.8289 0.0016 -0.0355 0.0448 405 PL9 D C18 ? ? 1 +54370 C C19 A PL9 EQ . 0.1386 0.7522 0.8255 -0.0017 -0.0351 0.0450 405 PL9 D C19 ? ? 1 +54371 C C19 B PL9 EQ . 0.1418 0.7559 0.8291 -0.0017 -0.0351 0.0449 405 PL9 D C19 ? ? 1 +54372 C C20 A PL9 EQ . 0.1337 0.7533 0.8227 -0.0009 -0.0367 0.0451 405 PL9 D C20 ? ? 1 +54373 C C20 B PL9 EQ . 0.1365 0.7566 0.8260 -0.0008 -0.0368 0.0449 405 PL9 D C20 ? ? 1 +54374 C C21 A PL9 EQ . 0.1379 0.7519 0.8265 -0.0066 -0.0330 0.0448 405 PL9 D C21 ? ? 1 +54375 C C21 B PL9 EQ . 0.1423 0.7569 0.8313 -0.0066 -0.0330 0.0446 405 PL9 D C21 ? ? 1 +54376 C C22 A PL9 EQ . 0.1405 0.7529 0.8271 -0.0098 -0.0321 0.0463 405 PL9 D C22 ? ? 1 +54377 C C22 B PL9 EQ . 0.1462 0.7589 0.8330 -0.0098 -0.0321 0.0463 405 PL9 D C22 ? ? 1 +54378 C C23 A PL9 EQ . 0.1413 0.7534 0.8293 -0.0143 -0.0302 0.0460 405 PL9 D C23 ? ? 1 +54379 C C23 B PL9 EQ . 0.1493 0.7611 0.8371 -0.0143 -0.0302 0.0461 405 PL9 D C23 ? ? 1 +54380 C C24 A PL9 EQ . 0.1466 0.7566 0.8333 -0.0176 -0.0289 0.0471 405 PL9 D C24 ? ? 1 +54381 C C24 B PL9 EQ . 0.1573 0.7669 0.8437 -0.0175 -0.0288 0.0472 405 PL9 D C24 ? ? 1 +54382 C C25 A PL9 EQ . 0.1495 0.7563 0.8321 -0.0174 -0.0286 0.0490 405 PL9 D C25 ? ? 1 +54383 C C25 B PL9 EQ . 0.1591 0.7657 0.8415 -0.0171 -0.0287 0.0491 405 PL9 D C25 ? ? 1 +54384 C C26 A PL9 EQ . 0.1491 0.7597 0.8381 -0.0217 -0.0274 0.0464 405 PL9 D C26 ? ? 1 +54385 C C26 B PL9 EQ . 0.1633 0.7732 0.8518 -0.0217 -0.0273 0.0465 405 PL9 D C26 ? ? 1 +54386 C C27 A PL9 EQ . 0.1465 0.7637 0.8395 -0.0243 -0.0272 0.0461 405 PL9 D C27 ? ? 1 +54387 C C27 B PL9 EQ . 0.1633 0.7803 0.8562 -0.0242 -0.0272 0.0462 405 PL9 D C27 ? ? 1 +54388 C C28 A PL9 EQ . 0.1446 0.7691 0.8419 -0.0230 -0.0285 0.0449 405 PL9 D C28 ? ? 1 +54389 C C28 B PL9 EQ . 0.1652 0.7893 0.8620 -0.0226 -0.0286 0.0450 405 PL9 D C28 ? ? 1 +54390 C C29 A PL9 EQ . 0.1475 0.7769 0.8464 -0.0223 -0.0293 0.0451 405 PL9 D C29 ? ? 1 +54391 C C29 B PL9 EQ . 0.1719 0.8011 0.8707 -0.0224 -0.0292 0.0452 405 PL9 D C29 ? ? 1 +54392 C C30 A PL9 EQ . 0.1499 0.7780 0.8462 -0.0221 -0.0293 0.0467 405 PL9 D C30 ? ? 1 +54393 C C30 B PL9 EQ . 0.1741 0.8029 0.8713 -0.0236 -0.0288 0.0466 405 PL9 D C30 ? ? 1 +54394 C C31 A PL9 EQ . 0.1470 0.7832 0.8504 -0.0217 -0.0301 0.0437 405 PL9 D C31 ? ? 1 +54395 C C31 B PL9 EQ . 0.1756 0.8114 0.8785 -0.0211 -0.0303 0.0438 405 PL9 D C31 ? ? 1 +54396 C C32 A PL9 EQ . 0.1517 0.7884 0.8565 -0.0201 -0.0303 0.0423 405 PL9 D C32 ? ? 1 +54397 C C32 B PL9 EQ . 0.1815 0.8182 0.8863 -0.0204 -0.0302 0.0423 405 PL9 D C32 ? ? 1 +54398 C C33 A PL9 EQ . 0.1507 0.7940 0.8598 -0.0200 -0.0306 0.0409 405 PL9 D C33 ? ? 1 +54399 C C33 B PL9 EQ . 0.1828 0.8262 0.8919 -0.0203 -0.0306 0.0410 405 PL9 D C33 ? ? 1 +54400 C C34 A PL9 EQ . 0.1543 0.7998 0.8656 -0.0212 -0.0299 0.0396 405 PL9 D C34 ? ? 1 +54401 C C34 B PL9 EQ . 0.1902 0.8360 0.9016 -0.0214 -0.0299 0.0397 405 PL9 D C34 ? ? 1 +54402 C C35 A PL9 EQ . 0.1573 0.7990 0.8670 -0.0226 -0.0290 0.0392 405 PL9 D C35 ? ? 1 +54403 C C35 B PL9 EQ . 0.1940 0.8362 0.9040 -0.0226 -0.0290 0.0391 405 PL9 D C35 ? ? 1 +54404 C C36 A PL9 EQ . 0.1548 0.8064 0.8697 -0.0217 -0.0298 0.0386 405 PL9 D C36 ? ? 1 +54405 C C36 B PL9 EQ . 0.1943 0.8462 0.9093 -0.0217 -0.0299 0.0387 405 PL9 D C36 ? ? 1 +54406 C C37 A PL9 EQ . 0.1564 0.8116 0.8739 -0.0191 -0.0304 0.0376 405 PL9 D C37 ? ? 1 +54407 C C37 B PL9 EQ . 0.1959 0.8512 0.9134 -0.0191 -0.0304 0.0376 405 PL9 D C37 ? ? 1 +54408 C C38 A PL9 EQ . 0.1552 0.8161 0.8763 -0.0201 -0.0300 0.0365 405 PL9 D C38 ? ? 1 +54409 C C38 B PL9 EQ . 0.1965 0.8575 0.9176 -0.0202 -0.0300 0.0366 405 PL9 D C38 ? ? 1 +54410 C C39 A PL9 EQ . 0.1591 0.8248 0.8836 -0.0188 -0.0303 0.0355 405 PL9 D C39 ? ? 1 +54411 C C39 B PL9 EQ . 0.2042 0.8699 0.9287 -0.0188 -0.0303 0.0354 405 PL9 D C39 ? ? 1 +54412 C C40 A PL9 EQ . 0.1641 0.8308 0.8896 -0.0155 -0.0317 0.0351 405 PL9 D C40 ? ? 1 +54413 C C40 B PL9 EQ . 0.2114 0.8780 0.9371 -0.0154 -0.0314 0.0349 405 PL9 D C40 ? ? 1 +54414 C C41 A PL9 EQ . 0.1572 0.8276 0.8849 -0.0206 -0.0293 0.0343 405 PL9 D C41 ? ? 1 +54415 C C41 B PL9 EQ . 0.2027 0.8733 0.9304 -0.0207 -0.0294 0.0344 405 PL9 D C41 ? ? 1 +54416 C C42 A PL9 EQ . 0.1607 0.8336 0.8912 -0.0194 -0.0281 0.0327 405 PL9 D C42 ? ? 1 +54417 C C42 B PL9 EQ . 0.2077 0.8804 0.9378 -0.0204 -0.0278 0.0329 405 PL9 D C42 ? ? 1 +54418 C C43 A PL9 EQ . 0.1595 0.8386 0.8947 -0.0198 -0.0277 0.0313 405 PL9 D C43 ? ? 1 +54419 C C43 B PL9 EQ . 0.2071 0.8859 0.9420 -0.0201 -0.0276 0.0314 405 PL9 D C43 ? ? 1 +54420 C C44 A PL9 EQ . 0.1604 0.8420 0.8978 -0.0211 -0.0256 0.0301 405 PL9 D C44 ? ? 1 +54421 C C44 B PL9 EQ . 0.2077 0.8896 0.9454 -0.0209 -0.0257 0.0300 405 PL9 D C44 ? ? 1 +54422 C C45 A PL9 EQ . 0.1607 0.8387 0.8953 -0.0222 -0.0235 0.0300 405 PL9 D C45 ? ? 1 +54423 C C45 B PL9 EQ . 0.2090 0.8880 0.9445 -0.0221 -0.0234 0.0297 405 PL9 D C45 ? ? 1 +54424 C C46 A PL9 EQ . 0.1611 0.8491 0.9038 -0.0216 -0.0251 0.0285 405 PL9 D C46 ? ? 1 +54425 C C46 B PL9 EQ . 0.2085 0.8970 0.9517 -0.0210 -0.0256 0.0285 405 PL9 D C46 ? ? 1 +54426 C C47 A PL9 EQ . 0.1602 0.8502 0.9036 -0.0232 -0.0264 0.0288 405 PL9 D C47 ? ? 1 +54427 C C47 B PL9 EQ . 0.2066 0.8969 0.9502 -0.0233 -0.0263 0.0287 405 PL9 D C47 ? ? 1 +54428 C C48 A PL9 EQ . 0.1609 0.8572 0.9097 -0.0242 -0.0258 0.0270 405 PL9 D C48 ? ? 1 +54429 C C48 B PL9 EQ . 0.2072 0.9038 0.9563 -0.0243 -0.0256 0.0269 405 PL9 D C48 ? ? 1 +54430 C C49 A PL9 EQ . 0.1609 0.8590 0.9108 -0.0268 -0.0255 0.0267 405 PL9 D C49 ? ? 1 +54431 C C49 B PL9 EQ . 0.2059 0.9047 0.9564 -0.0266 -0.0256 0.0265 405 PL9 D C49 ? ? 1 +54432 C C50 A PL9 EQ . 0.1585 0.8630 0.9143 -0.0281 -0.0245 0.0246 405 PL9 D C50 ? ? 1 +54433 C C50 B PL9 EQ . 0.1980 0.9031 0.9544 -0.0279 -0.0246 0.0244 405 PL9 D C50 ? ? 1 +54434 C C51 A PL9 EQ . 0.1588 0.8528 0.9041 -0.0286 -0.0260 0.0282 405 PL9 D C51 ? ? 1 +54435 C C51 B PL9 EQ . 0.2010 0.8962 0.9472 -0.0283 -0.0266 0.0280 405 PL9 D C51 ? ? 1 +54436 C C52 A PL9 EQ . 0.2159 0.7804 0.8481 0.0621 -0.0624 0.0503 405 PL9 D C52 ? ? 1 +54437 C C52 B PL9 EQ . 0.2187 0.7811 0.8492 0.0642 -0.0630 0.0504 405 PL9 D C52 ? ? 1 +54438 C C53 A PL9 EQ . 0.2328 0.7715 0.8502 0.0609 -0.0562 0.0532 405 PL9 D C53 ? ? 1 +54439 C C53 B PL9 EQ . 0.2335 0.7702 0.8497 0.0612 -0.0560 0.0535 405 PL9 D C53 ? ? 1 +54440 O O1 A PL9 EQ . 0.1886 0.7776 0.8435 0.0530 -0.0597 0.0461 405 PL9 D O1 ? ? 1 +54441 O O1 B PL9 EQ . 0.1903 0.7769 0.8428 0.0540 -0.0602 0.0466 405 PL9 D O1 ? ? 1 +54442 O O2 A PL9 EQ . 0.2183 0.7641 0.8486 0.0523 -0.0502 0.0503 405 PL9 D O2 ? ? 1 +54443 O O2 B PL9 EQ . 0.2174 0.7628 0.8474 0.0520 -0.0500 0.0504 405 PL9 D O2 ? ? 1 +54444 C C1B . LMT ER . 1.5123 2.1451 2.1949 -0.0447 -0.0166 0.0354 101 LMT T C1B ? ? 1 +54445 C C2B . LMT ER . 1.4824 2.1112 2.1602 -0.0420 -0.0179 0.0363 101 LMT T C2B ? ? 1 +54446 C C3B . LMT ER . 1.4492 2.0804 2.1279 -0.0394 -0.0195 0.0371 101 LMT T C3B ? ? 1 +54447 C C4B . LMT ER . 1.4830 2.1129 2.1604 -0.0396 -0.0185 0.0372 101 LMT T C4B ? ? 1 +54448 C C5B . LMT ER . 1.5296 2.1633 2.2117 -0.0421 -0.0171 0.0364 101 LMT T C5B ? ? 1 +54449 C C6B . LMT ER . 1.5249 2.1573 2.2057 -0.0425 -0.0156 0.0365 101 LMT T C6B ? ? 1 +54450 O O1B . LMT ER . 1.4963 2.1357 2.1848 -0.0444 -0.0183 0.0351 101 LMT T O1B ? ? 1 +54451 O O2B . LMT ER . 1.4848 2.1146 2.1634 -0.0418 -0.0189 0.0360 101 LMT T O2B ? ? 1 +54452 O O3B . LMT ER . 1.3680 1.9962 2.0429 -0.0367 -0.0207 0.0377 101 LMT T O3B ? ? 1 +54453 O O4' . LMT ER . 1.4419 2.0740 2.1203 -0.0373 -0.0202 0.0377 101 LMT T O4' ? ? 1 +54454 O O5B . LMT ER . 1.5439 2.1759 2.2257 -0.0447 -0.0154 0.0357 101 LMT T O5B ? ? 1 +54455 O O6B . LMT ER . 1.4998 2.1292 2.1764 -0.0400 -0.0167 0.0372 101 LMT T O6B ? ? 1 +54456 C C1' . LMT ER . 1.1647 1.8167 1.8660 -0.0481 -0.0207 0.0320 101 LMT T C1' ? ? 1 +54457 C C2' . LMT ER . 1.2820 1.9273 1.9772 -0.0482 -0.0198 0.0323 101 LMT T C2' ? ? 1 +54458 C C3' . LMT ER . 1.3204 1.9623 2.0117 -0.0461 -0.0195 0.0338 101 LMT T C3' ? ? 1 +54459 C C4' . LMT ER . 1.3796 2.0222 2.0720 -0.0466 -0.0181 0.0339 101 LMT T C4' ? ? 1 +54460 C C5' . LMT ER . 1.3031 1.9524 2.0017 -0.0464 -0.0191 0.0336 101 LMT T C5' ? ? 1 +54461 C C6' . LMT ER . 1.2238 1.8742 1.9238 -0.0465 -0.0179 0.0336 101 LMT T C6' ? ? 1 +54462 O O1' . LMT ER . 0.9266 1.5818 1.6316 -0.0501 -0.0210 0.0304 101 LMT T O1' ? ? 1 +54463 O O2' . LMT ER . 1.3696 2.0145 2.0635 -0.0474 -0.0214 0.0322 101 LMT T O2' ? ? 1 +54464 O O3' . LMT ER . 1.3316 1.9668 2.0168 -0.0460 -0.0186 0.0340 101 LMT T O3' ? ? 1 +54465 O O5' . LMT ER . 1.2340 1.8865 1.9363 -0.0484 -0.0192 0.0322 101 LMT T O5' ? ? 1 +54466 O O6' . LMT ER . 1.1886 1.8428 1.8932 -0.0485 -0.0168 0.0323 101 LMT T O6' ? ? 1 +54467 C C1 . LMT ER . 0.7946 1.4559 1.5047 -0.0492 -0.0226 0.0300 101 LMT T C1 ? ? 1 +54468 C C2 . LMT ER . 0.7232 1.3856 1.4332 -0.0484 -0.0249 0.0297 101 LMT T C2 ? ? 1 +54469 C C3 . LMT ER . 0.6618 1.3299 1.3766 -0.0478 -0.0268 0.0290 101 LMT T C3 ? ? 1 +54470 C C4 . LMT ER . 0.6044 1.2738 1.3191 -0.0450 -0.0280 0.0305 101 LMT T C4 ? ? 1 +54471 C C5 . LMT ER . 0.5805 1.2543 1.2986 -0.0439 -0.0302 0.0299 101 LMT T C5 ? ? 1 +54472 C C6 . LMT ER . 0.5901 1.2655 1.3094 -0.0418 -0.0306 0.0312 101 LMT T C6 ? ? 1 +54473 C C7 . LMT ER . 0.6346 1.3122 1.3546 -0.0399 -0.0329 0.0313 101 LMT T C7 ? ? 1 +54474 C C8 . LMT ER . 0.6675 1.3459 1.3884 -0.0379 -0.0331 0.0325 101 LMT T C8 ? ? 1 +54475 C C9 . LMT ER . 0.6816 1.3621 1.4033 -0.0360 -0.0354 0.0324 101 LMT T C9 ? ? 1 +54476 C C10 . LMT ER . 0.6654 1.3430 1.3829 -0.0344 -0.0361 0.0340 101 LMT T C10 ? ? 1 +54477 C C11 . LMT ER . 0.6443 1.3197 1.3604 -0.0336 -0.0348 0.0357 101 LMT T C11 ? ? 1 +54478 C C12 . LMT ER . 0.6327 1.3092 1.3508 -0.0323 -0.0351 0.0361 101 LMT T C12 ? ? 1 +54479 MG MG . CLA ES . 0.1928 0.9946 1.0854 -0.1750 -0.0658 -0.0928 602 CLA b MG ? ? 1 +54480 C CHA . CLA ES . 0.2004 0.9598 1.0485 -0.1665 -0.0632 -0.0805 602 CLA b CHA ? ? 1 +54481 C CHB . CLA ES . 0.2079 0.9906 1.0980 -0.1939 -0.0452 -0.0919 602 CLA b CHB ? ? 1 +54482 C CHC . CLA ES . 0.1960 1.0377 1.1324 -0.1881 -0.0715 -0.1099 602 CLA b CHC ? ? 1 +54483 C CHD . CLA ES . 0.1906 1.0031 1.0778 -0.1592 -0.0898 -0.0968 602 CLA b CHD ? ? 1 +54484 N NA . CLA ES . 0.2027 0.9795 1.0763 -0.1793 -0.0565 -0.0874 602 CLA b NA ? ? 1 +54485 C C1A . CLA ES . 0.2043 0.9663 1.0614 -0.1747 -0.0563 -0.0824 602 CLA b C1A ? ? 1 +54486 C C2A . CLA ES . 0.2094 0.9569 1.0569 -0.1780 -0.0477 -0.0784 602 CLA b C2A ? ? 1 +54487 C C3A . CLA ES . 0.2082 0.9640 1.0690 -0.1851 -0.0418 -0.0810 602 CLA b C3A ? ? 1 +54488 C C4A . CLA ES . 0.2065 0.9794 1.0824 -0.1864 -0.0483 -0.0873 602 CLA b C4A ? ? 1 +54489 C CMA . CLA ES . 0.1986 0.9583 1.0627 -0.1819 -0.0367 -0.0769 602 CLA b CMA ? ? 1 +54490 C CAA . CLA ES . 0.2242 0.9568 1.0601 -0.1821 -0.0474 -0.0793 602 CLA b CAA ? ? 1 +54491 C CBA . CLA ES . 0.2322 0.9484 1.0556 -0.1832 -0.0397 -0.0742 602 CLA b CBA ? ? 1 +54492 C CGA . CLA ES . 0.2333 0.9401 1.0425 -0.1745 -0.0416 -0.0687 602 CLA b CGA ? ? 1 +54493 O O1A . CLA ES . 0.2289 0.9297 1.0323 -0.1715 -0.0370 -0.0636 602 CLA b O1A ? ? 1 +54494 O O2A . CLA ES . 0.2446 0.9500 1.0478 -0.1699 -0.0491 -0.0696 602 CLA b O2A ? ? 1 +54495 N NB . CLA ES . 0.1999 1.0104 1.1099 -0.1888 -0.0596 -0.0996 602 CLA b NB ? ? 1 +54496 C C1B . CLA ES . 0.2049 1.0063 1.1122 -0.1955 -0.0506 -0.0982 602 CLA b C1B ? ? 1 +54497 C C2B . CLA ES . 0.2087 1.0185 1.1303 -0.2051 -0.0465 -0.1035 602 CLA b C2B ? ? 1 +54498 C C3B . CLA ES . 0.2062 1.0342 1.1423 -0.2035 -0.0543 -0.1090 602 CLA b C3B ? ? 1 +54499 C C4B . CLA ES . 0.2003 1.0274 1.1280 -0.1932 -0.0620 -0.1061 602 CLA b C4B ? ? 1 +54500 C CMB . CLA ES . 0.2151 1.0168 1.1363 -0.2141 -0.0366 -0.1032 602 CLA b CMB ? ? 1 +54501 C CAB . CLA ES . 0.2120 1.0543 1.1664 -0.2118 -0.0533 -0.1159 602 CLA b CAB ? ? 1 +54502 C CBB . CLA ES . 0.2134 1.0718 1.1811 -0.2114 -0.0607 -0.1217 602 CLA b CBB ? ? 1 +54503 N NC . CLA ES . 0.1928 1.0143 1.1004 -0.1740 -0.0779 -0.1012 602 CLA b NC ? ? 1 +54504 C C1C . CLA ES . 0.1937 1.0310 1.1190 -0.1790 -0.0792 -0.1074 602 CLA b C1C ? ? 1 +54505 C C2C . CLA ES . 0.1938 1.0438 1.1268 -0.1758 -0.0892 -0.1125 602 CLA b C2C ? ? 1 +54506 C C3C . CLA ES . 0.1926 1.0333 1.1104 -0.1673 -0.0944 -0.1084 602 CLA b C3C ? ? 1 +54507 C C4C . CLA ES . 0.1916 1.0163 1.0958 -0.1668 -0.0869 -0.1018 602 CLA b C4C ? ? 1 +54508 C CMC . CLA ES . 0.1947 1.0634 1.1467 -0.1796 -0.0935 -0.1199 602 CLA b CMC ? ? 1 +54509 C CAC . CLA ES . 0.1933 1.0399 1.1099 -0.1604 -0.1049 -0.1106 602 CLA b CAC ? ? 1 +54510 C CBC . CLA ES . 0.1831 1.0376 1.1025 -0.1515 -0.1065 -0.1071 602 CLA b CBC ? ? 1 +54511 N ND . CLA ES . 0.1962 0.9853 1.0697 -0.1672 -0.0745 -0.0906 602 CLA b ND ? ? 1 +54512 C C1D . CLA ES . 0.1924 0.9879 1.0651 -0.1594 -0.0834 -0.0912 602 CLA b C1D ? ? 1 +54513 C C2D . CLA ES . 0.1930 0.9748 1.0482 -0.1528 -0.0851 -0.0861 602 CLA b C2D ? ? 1 +54514 C C3D . CLA ES . 0.1955 0.9638 1.0422 -0.1561 -0.0767 -0.0820 602 CLA b C3D ? ? 1 +54515 C C4D . CLA ES . 0.1964 0.9699 1.0537 -0.1633 -0.0713 -0.0844 602 CLA b C4D ? ? 1 +54516 C CMD . CLA ES . 0.1922 0.9719 1.0384 -0.1445 -0.0923 -0.0845 602 CLA b CMD ? ? 1 +54517 C CAD . CLA ES . 0.1983 0.9497 1.0288 -0.1538 -0.0723 -0.0762 602 CLA b CAD ? ? 1 +54518 O OBD . CLA ES . 0.1984 0.9418 1.0166 -0.1472 -0.0752 -0.0727 602 CLA b OBD ? ? 1 +54519 C CBD . CLA ES . 0.2013 0.9464 1.0322 -0.1603 -0.0636 -0.0750 602 CLA b CBD ? ? 1 +54520 C CGD . CLA ES . 0.1948 0.9365 1.0213 -0.1556 -0.0587 -0.0689 602 CLA b CGD ? ? 1 +54521 O O1D . CLA ES . 0.1863 0.9373 1.0186 -0.1506 -0.0601 -0.0674 602 CLA b O1D ? ? 1 +54522 O O2D . CLA ES . 0.1994 0.9259 1.0140 -0.1564 -0.0522 -0.0643 602 CLA b O2D ? ? 1 +54523 C CED . CLA ES . 0.1913 0.9164 1.0029 -0.1513 -0.0487 -0.0589 602 CLA b CED ? ? 1 +54524 C C1 . CLA ES . 0.2557 0.9507 1.0447 -0.1627 -0.0506 -0.0648 602 CLA b C1 ? ? 1 +54525 C C2 . CLA ES . 0.2635 0.9637 1.0520 -0.1581 -0.0591 -0.0670 602 CLA b C2 ? ? 1 +54526 C C3 . CLA ES . 0.2842 0.9786 1.0672 -0.1603 -0.0628 -0.0703 602 CLA b C3 ? ? 1 +54527 C C4 . CLA ES . 0.2929 0.9747 1.0696 -0.1674 -0.0588 -0.0720 602 CLA b C4 ? ? 1 +54528 C C5 . CLA ES . 0.2962 0.9958 1.0783 -0.1554 -0.0713 -0.0725 602 CLA b C5 ? ? 1 +54529 C C6 . CLA ES . 0.3097 0.9955 1.0751 -0.1501 -0.0726 -0.0690 602 CLA b C6 ? ? 1 +54530 C C7 . CLA ES . 0.3211 1.0120 1.0853 -0.1454 -0.0810 -0.0713 602 CLA b C7 ? ? 1 +54531 C C8 . CLA ES . 0.3376 1.0153 1.0857 -0.1409 -0.0828 -0.0691 602 CLA b C8 ? ? 1 +54532 C C9 . CLA ES . 0.3420 1.0038 1.0776 -0.1410 -0.0767 -0.0650 602 CLA b C9 ? ? 1 +54533 C C10 . CLA ES . 0.3507 1.0304 1.0944 -0.1360 -0.0907 -0.0710 602 CLA b C10 ? ? 1 +54534 C C11 . CLA ES . 0.3547 1.0246 1.0841 -0.1283 -0.0909 -0.0660 602 CLA b C11 ? ? 1 +54535 C C12 . CLA ES . 0.3449 1.0199 1.0759 -0.1219 -0.0895 -0.0609 602 CLA b C12 ? ? 1 +54536 C C13 . CLA ES . 0.3494 1.0206 1.0700 -0.1144 -0.0939 -0.0589 602 CLA b C13 ? ? 1 +54537 C C14 . CLA ES . 0.3435 1.0212 1.0664 -0.1079 -0.0942 -0.0548 602 CLA b C14 ? ? 1 +54538 C C15 . CLA ES . 0.3586 1.0143 1.0643 -0.1129 -0.0910 -0.0562 602 CLA b C15 ? ? 1 +54539 C C16 . CLA ES . 0.3618 1.0106 1.0639 -0.1124 -0.0837 -0.0511 602 CLA b C16 ? ? 1 +54540 C C17 . CLA ES . 0.3743 1.0089 1.0614 -0.1099 -0.0827 -0.0493 602 CLA b C17 ? ? 1 +54541 C C18 . CLA ES . 0.3805 1.0040 1.0597 -0.1092 -0.0763 -0.0450 602 CLA b C18 ? ? 1 +54542 C C19 . CLA ES . 0.3933 1.0063 1.0682 -0.1149 -0.0725 -0.0464 602 CLA b C19 ? ? 1 +54543 C C20 . CLA ES . 0.3767 1.0012 1.0538 -0.1028 -0.0742 -0.0395 602 CLA b C20 ? ? 1 +54544 C C1 . GOL ET . 0.6468 1.0713 1.2000 -0.1188 0.0160 0.0011 628 GOL b C1 ? ? 1 +54545 O O1 . GOL ET . 0.6464 1.0643 1.1990 -0.1272 0.0189 -0.0019 628 GOL b O1 ? ? 1 +54546 C C2 . GOL ET . 0.6662 1.0771 1.2063 -0.1131 0.0181 0.0047 628 GOL b C2 ? ? 1 +54547 O O2 . GOL ET . 0.6872 1.0836 1.2157 -0.1119 0.0179 0.0040 628 GOL b O2 ? ? 1 +54548 C C3 . GOL ET . 0.6643 1.0680 1.2005 -0.1161 0.0232 0.0066 628 GOL b C3 ? ? 1 +54549 O O3 . GOL ET . 0.6875 1.0871 1.2253 -0.1252 0.0267 0.0039 628 GOL b O3 ? ? 1 +54550 MG MG . MG EU . 0.6782 0.8553 0.9616 -0.0406 -0.0276 -0.0675 102 MG j MG ? ? 1 +54551 CL CL A CL EV . 0.2008 0.7574 0.7823 -0.0123 0.0342 0.0116 403 CL A CL ? ? 1 +54552 CL CL B CL EV . 0.2001 0.7572 0.7824 -0.0125 0.0342 0.0117 403 CL A CL ? ? 1 +54553 MG MG . CLA EW . 0.2802 0.8820 1.0469 -0.1736 0.1096 0.0416 609 CLA B MG ? ? 1 +54554 C CHA . CLA EW . 0.3164 0.8703 1.0469 -0.1778 0.1166 0.0490 609 CLA B CHA ? ? 1 +54555 C CHB . CLA EW . 0.2642 0.8556 1.0083 -0.1540 0.0933 0.0469 609 CLA B CHB ? ? 1 +54556 C CHC . CLA EW . 0.2431 0.8901 1.0469 -0.1693 0.0957 0.0319 609 CLA B CHC ? ? 1 +54557 C CHD . CLA EW . 0.2919 0.9057 1.0879 -0.1965 0.1199 0.0326 609 CLA B CHD ? ? 1 +54558 N NA . CLA EW . 0.2872 0.8659 1.0301 -0.1670 0.1057 0.0469 609 CLA B NA ? ? 1 +54559 C C1A . CLA EW . 0.3022 0.8634 1.0321 -0.1691 0.1094 0.0497 609 CLA B C1A ? ? 1 +54560 C C2A . CLA EW . 0.3080 0.8554 1.0203 -0.1617 0.1071 0.0541 609 CLA B C2A ? ? 1 +54561 C C3A . CLA EW . 0.2903 0.8504 1.0076 -0.1546 0.1004 0.0534 609 CLA B C3A ? ? 1 +54562 C C4A . CLA EW . 0.2799 0.8580 1.0161 -0.1588 0.0996 0.0487 609 CLA B C4A ? ? 1 +54563 C CMA . CLA EW . 0.2902 0.8492 1.0002 -0.1498 0.1030 0.0565 609 CLA B CMA ? ? 1 +54564 C CAA . CLA EW . 0.3164 0.8496 1.0187 -0.1608 0.1036 0.0552 609 CLA B CAA ? ? 1 +54565 C CBA . CLA EW . 0.3046 0.8478 1.0169 -0.1597 0.0955 0.0516 609 CLA B CBA ? ? 1 +54566 C CGA . CLA EW . 0.3134 0.8433 1.0172 -0.1597 0.0928 0.0521 609 CLA B CGA ? ? 1 +54567 O O1A . CLA EW . 0.3280 0.8421 1.0207 -0.1622 0.0973 0.0544 609 CLA B O1A ? ? 1 +54568 O O2A . CLA EW . 0.3070 0.8430 1.0158 -0.1566 0.0846 0.0497 609 CLA B O2A ? ? 1 +54569 N NB . CLA EW . 0.2576 0.8735 1.0303 -0.1640 0.0971 0.0398 609 CLA B NB ? ? 1 +54570 C C1B . CLA EW . 0.2536 0.8633 1.0154 -0.1565 0.0919 0.0426 609 CLA B C1B ? ? 1 +54571 C C2B . CLA EW . 0.2383 0.8600 1.0066 -0.1507 0.0841 0.0408 609 CLA B C2B ? ? 1 +54572 C C3B . CLA EW . 0.2326 0.8703 1.0179 -0.1548 0.0845 0.0365 609 CLA B C3B ? ? 1 +54573 C C4B . CLA EW . 0.2444 0.8780 1.0317 -0.1628 0.0928 0.0362 609 CLA B C4B ? ? 1 +54574 C CMB . CLA EW . 0.2303 0.8487 0.9900 -0.1426 0.0774 0.0428 609 CLA B CMB ? ? 1 +54575 C CAB . CLA EW . 0.2198 0.8729 1.0158 -0.1506 0.0776 0.0336 609 CLA B CAB ? ? 1 +54576 C CBB . CLA EW . 0.2142 0.8829 1.0256 -0.1531 0.0773 0.0297 609 CLA B CBB ? ? 1 +54577 N NC . CLA EW . 0.2695 0.8945 1.0630 -0.1809 0.1080 0.0341 609 CLA B NC ? ? 1 +54578 C C1C . CLA EW . 0.2546 0.8973 1.0616 -0.1781 0.1025 0.0308 609 CLA B C1C ? ? 1 +54579 C C2C . CLA EW . 0.2509 0.9082 1.0761 -0.1844 0.1026 0.0255 609 CLA B C2C ? ? 1 +54580 C C3C . CLA EW . 0.2649 0.9127 1.0881 -0.1927 0.1098 0.0256 609 CLA B C3C ? ? 1 +54581 C C4C . CLA EW . 0.2749 0.9036 1.0786 -0.1897 0.1128 0.0311 609 CLA B C4C ? ? 1 +54582 C CMC . CLA EW . 0.2368 0.9140 1.0787 -0.1828 0.0968 0.0209 609 CLA B CMC ? ? 1 +54583 C CAC . CLA EW . 0.2708 0.9266 1.1086 -0.2020 0.1136 0.0212 609 CLA B CAC ? ? 1 +54584 C CBC . CLA EW . 0.2747 0.9362 1.1178 -0.2054 0.1227 0.0214 609 CLA B CBC ? ? 1 +54585 N ND . CLA EW . 0.2961 0.8844 1.0611 -0.1843 0.1149 0.0405 609 CLA B ND ? ? 1 +54586 C C1D . CLA EW . 0.3027 0.8960 1.0789 -0.1937 0.1214 0.0375 609 CLA B C1D ? ? 1 +54587 C C2D . CLA EW . 0.3213 0.8970 1.0870 -0.1998 0.1285 0.0396 609 CLA B C2D ? ? 1 +54588 C C3D . CLA EW . 0.3260 0.8858 1.0728 -0.1927 0.1264 0.0445 609 CLA B C3D ? ? 1 +54589 C C4D . CLA EW . 0.3121 0.8807 1.0602 -0.1847 0.1195 0.0447 609 CLA B C4D ? ? 1 +54590 C CMD . CLA EW . 0.3340 0.9059 1.1044 -0.2102 0.1364 0.0379 609 CLA B CMD ? ? 1 +54591 C CAD . CLA EW . 0.3421 0.8797 1.0689 -0.1912 0.1291 0.0492 609 CLA B CAD ? ? 1 +54592 O OBD . CLA EW . 0.3595 0.8830 1.0788 -0.1972 0.1359 0.0506 609 CLA B OBD ? ? 1 +54593 C CBD . CLA EW . 0.3361 0.8699 1.0520 -0.1813 0.1230 0.0523 609 CLA B CBD ? ? 1 +54594 C CGD . CLA EW . 0.3444 0.8718 1.0501 -0.1790 0.1291 0.0562 609 CLA B CGD ? ? 1 +54595 O O1D . CLA EW . 0.3515 0.8663 1.0415 -0.1732 0.1282 0.0602 609 CLA B O1D ? ? 1 +54596 O O2D . CLA EW . 0.3450 0.8819 1.0600 -0.1838 0.1364 0.0549 609 CLA B O2D ? ? 1 +54597 C CED . CLA EW . 0.3509 0.8839 1.0575 -0.1813 0.1419 0.0582 609 CLA B CED ? ? 1 +54598 C C1 . CLA EW . 0.3192 0.8439 1.0219 -0.1575 0.0823 0.0494 609 CLA B C1 ? ? 1 +54599 C C2 . CLA EW . 0.3112 0.8446 1.0189 -0.1525 0.0737 0.0473 609 CLA B C2 ? ? 1 +54600 C C3 . CLA EW . 0.3143 0.8427 1.0126 -0.1447 0.0690 0.0497 609 CLA B C3 ? ? 1 +54601 C C4 . CLA EW . 0.3220 0.8363 1.0046 -0.1404 0.0715 0.0544 609 CLA B C4 ? ? 1 +54602 C C5 . CLA EW . 0.3091 0.8460 1.0123 -0.1399 0.0609 0.0477 609 CLA B C5 ? ? 1 +54603 C C6 . CLA EW . 0.3097 0.8586 1.0271 -0.1444 0.0582 0.0429 609 CLA B C6 ? ? 1 +54604 C C7 . CLA EW . 0.3076 0.8616 1.0262 -0.1386 0.0504 0.0416 609 CLA B C7 ? ? 1 +54605 C C8 . CLA EW . 0.3123 0.8733 1.0404 -0.1415 0.0461 0.0373 609 CLA B C8 ? ? 1 +54606 C C9 . CLA EW . 0.3258 0.8869 1.0609 -0.1499 0.0490 0.0341 609 CLA B C9 ? ? 1 +54607 C C10 . CLA EW . 0.3073 0.8769 1.0386 -0.1357 0.0389 0.0360 609 CLA B C10 ? ? 1 +54608 C C11 . CLA EW . 0.3060 0.8876 1.0492 -0.1378 0.0344 0.0314 609 CLA B C11 ? ? 1 +54609 C C12 . CLA EW . 0.3075 0.8883 1.0466 -0.1317 0.0280 0.0313 609 CLA B C12 ? ? 1 +54610 C C13 . CLA EW . 0.3100 0.8977 1.0571 -0.1335 0.0232 0.0270 609 CLA B C13 ? ? 1 +54611 C C14 . CLA EW . 0.3047 0.8898 1.0459 -0.1273 0.0176 0.0273 609 CLA B C14 ? ? 1 +54612 C C15 . CLA EW . 0.3020 0.9062 1.0624 -0.1349 0.0219 0.0242 609 CLA B C15 ? ? 1 +54613 C C16 . CLA EW . 0.3050 0.9148 1.0729 -0.1379 0.0177 0.0197 609 CLA B C16 ? ? 1 +54614 C C17 . CLA EW . 0.3053 0.9294 1.0870 -0.1419 0.0184 0.0166 609 CLA B C17 ? ? 1 +54615 C C18 . CLA EW . 0.3048 0.9379 1.0955 -0.1435 0.0131 0.0119 609 CLA B C18 ? ? 1 +54616 C C19 . CLA EW . 0.3046 0.9354 1.0910 -0.1394 0.0068 0.0108 609 CLA B C19 ? ? 1 +54617 C C20 . CLA EW . 0.3062 0.9510 1.1108 -0.1496 0.0143 0.0080 609 CLA B C20 ? ? 1 +54618 MG MG . CLA EX . 0.4158 0.9269 1.0304 0.1456 0.0559 -0.0406 504 CLA C MG ? ? 1 +54619 C CHA . CLA EX . 0.3856 0.9062 1.0021 0.1242 0.0556 -0.0365 504 CLA C CHA ? ? 1 +54620 C CHB . CLA EX . 0.4226 0.9501 1.0440 0.1500 0.0722 -0.0472 504 CLA C CHB ? ? 1 +54621 C CHC . CLA EX . 0.4298 0.9527 1.0600 0.1689 0.0557 -0.0443 504 CLA C CHC ? ? 1 +54622 C CHD . CLA EX . 0.3965 0.9078 1.0177 0.1407 0.0406 -0.0330 504 CLA C CHD ? ? 1 +54623 N NA . CLA EX . 0.4060 0.9291 1.0253 0.1386 0.0625 -0.0416 504 CLA C NA ? ? 1 +54624 C C1A . CLA EX . 0.3961 0.9202 1.0141 0.1303 0.0617 -0.0397 504 CLA C C1A ? ? 1 +54625 C C2A . CLA EX . 0.3983 0.9247 1.0140 0.1272 0.0677 -0.0413 504 CLA C C2A ? ? 1 +54626 C C3A . CLA EX . 0.4064 0.9369 1.0254 0.1352 0.0732 -0.0445 504 CLA C C3A ? ? 1 +54627 C C4A . CLA EX . 0.4111 0.9385 1.0316 0.1418 0.0690 -0.0444 504 CLA C C4A ? ? 1 +54628 C CMA . CLA EX . 0.4201 0.9378 1.0254 0.1363 0.0775 -0.0469 504 CLA C CMA ? ? 1 +54629 C CAA . CLA EX . 0.3857 0.9254 1.0103 0.1207 0.0692 -0.0398 504 CLA C CAA ? ? 1 +54630 C CBA . CLA EX . 0.3754 0.9336 1.0173 0.1228 0.0697 -0.0396 504 CLA C CBA ? ? 1 +54631 C CGA . CLA EX . 0.3631 0.9309 1.0124 0.1154 0.0678 -0.0370 504 CLA C CGA ? ? 1 +54632 O O1A . CLA EX . 0.3616 0.9254 1.0050 0.1088 0.0679 -0.0358 504 CLA C O1A ? ? 1 +54633 O O2A . CLA EX . 0.3549 0.9373 1.0188 0.1164 0.0656 -0.0361 504 CLA C O2A ? ? 1 +54634 N NB . CLA EX . 0.4234 0.9472 1.0484 0.1570 0.0626 -0.0449 504 CLA C NB ? ? 1 +54635 C C1B . CLA EX . 0.4278 0.9560 1.0535 0.1576 0.0692 -0.0475 504 CLA C C1B ? ? 1 +54636 C C2B . CLA EX . 0.4375 0.9743 1.0709 0.1663 0.0737 -0.0506 504 CLA C C2B ? ? 1 +54637 C C3B . CLA EX . 0.4407 0.9768 1.0772 0.1722 0.0685 -0.0499 504 CLA C C3B ? ? 1 +54638 C C4B . CLA EX . 0.4305 0.9573 1.0605 0.1659 0.0621 -0.0463 504 CLA C C4B ? ? 1 +54639 C CMB . CLA EX . 0.4431 0.9872 1.0798 0.1687 0.0816 -0.0539 504 CLA C CMB ? ? 1 +54640 C CAB . CLA EX . 0.4519 0.9957 1.0964 0.1825 0.0707 -0.0527 504 CLA C CAB ? ? 1 +54641 C CBB . CLA EX . 0.4601 1.0030 1.1069 0.1889 0.0663 -0.0522 504 CLA C CBB ? ? 1 +54642 N NC . CLA EX . 0.4134 0.9294 1.0370 0.1527 0.0496 -0.0389 504 CLA C NC ? ? 1 +54643 C C1C . CLA EX . 0.4212 0.9401 1.0491 0.1621 0.0500 -0.0406 504 CLA C C1C ? ? 1 +54644 C C2C . CLA EX . 0.4195 0.9393 1.0513 0.1654 0.0443 -0.0386 504 CLA C C2C ? ? 1 +54645 C C3C . CLA EX . 0.4097 0.9257 1.0384 0.1570 0.0401 -0.0353 504 CLA C C3C ? ? 1 +54646 C C4C . CLA EX . 0.4074 0.9211 1.0313 0.1500 0.0437 -0.0358 504 CLA C C4C ? ? 1 +54647 C CMC . CLA EX . 0.4273 0.9507 1.0643 0.1755 0.0429 -0.0398 504 CLA C CMC ? ? 1 +54648 C CAC . CLA EX . 0.4050 0.9194 1.0347 0.1558 0.0339 -0.0321 504 CLA C CAC ? ? 1 +54649 C CBC . CLA EX . 0.3889 0.9216 1.0329 0.1522 0.0328 -0.0307 504 CLA C CBC ? ? 1 +54650 N ND . CLA EX . 0.3932 0.9131 1.0155 0.1357 0.0500 -0.0361 504 CLA C ND ? ? 1 +54651 C C1D . CLA EX . 0.3897 0.9030 1.0094 0.1338 0.0436 -0.0332 504 CLA C C1D ? ? 1 +54652 C C2D . CLA EX . 0.3810 0.8922 0.9980 0.1246 0.0408 -0.0307 504 CLA C C2D ? ? 1 +54653 C C3D . CLA EX . 0.3792 0.8937 0.9952 0.1213 0.0457 -0.0322 504 CLA C C3D ? ? 1 +54654 C C4D . CLA EX . 0.3864 0.9038 1.0040 0.1275 0.0505 -0.0351 504 CLA C C4D ? ? 1 +54655 C CMD . CLA EX . 0.3754 0.8820 0.9903 0.1193 0.0351 -0.0274 504 CLA C CMD ? ? 1 +54656 C CAD . CLA EX . 0.3738 0.8880 0.9863 0.1135 0.0470 -0.0316 504 CLA C CAD ? ? 1 +54657 O OBD . CLA EX . 0.3662 0.8781 0.9766 0.1066 0.0433 -0.0292 504 CLA C OBD ? ? 1 +54658 C CBD . CLA EX . 0.3780 0.8959 0.9903 0.1152 0.0535 -0.0343 504 CLA C CBD ? ? 1 +54659 C CGD . CLA EX . 0.3870 0.8905 0.9848 0.1125 0.0548 -0.0355 504 CLA C CGD ? ? 1 +54660 O O1D . CLA EX . 0.3844 0.8896 0.9800 0.1081 0.0576 -0.0357 504 CLA C O1D ? ? 1 +54661 O O2D . CLA EX . 0.3987 0.8854 0.9842 0.1152 0.0526 -0.0364 504 CLA C O2D ? ? 1 +54662 C CED . CLA EX . 0.4110 0.8866 0.9846 0.1159 0.0558 -0.0389 504 CLA C CED ? ? 1 +54663 C C1 . CLA EX . 0.3444 0.9354 1.0151 0.1097 0.0637 -0.0338 504 CLA C C1 ? ? 1 +54664 C C2 . CLA EX . 0.3376 0.9456 1.0246 0.1122 0.0631 -0.0340 504 CLA C C2 ? ? 1 +54665 C C3 . CLA EX . 0.3324 0.9454 1.0256 0.1105 0.0576 -0.0318 504 CLA C C3 ? ? 1 +54666 C C4 . CLA EX . 0.3297 0.9316 1.0140 0.1058 0.0518 -0.0287 504 CLA C C4 ? ? 1 +54667 C C5 . CLA EX . 0.3280 0.9586 1.0376 0.1132 0.0574 -0.0325 504 CLA C C5 ? ? 1 +54668 C C6 . CLA EX . 0.3388 0.9695 1.0514 0.1215 0.0544 -0.0336 504 CLA C C6 ? ? 1 +54669 C C7 . CLA EX . 0.3360 0.9846 1.0651 0.1233 0.0531 -0.0341 504 CLA C C7 ? ? 1 +54670 C C8 . CLA EX . 0.3303 0.9809 1.0622 0.1201 0.0465 -0.0311 504 CLA C C8 ? ? 1 +54671 C C9 . CLA EX . 0.3222 0.9904 1.0699 0.1205 0.0447 -0.0315 504 CLA C C9 ? ? 1 +54672 C C10 . CLA EX . 0.3320 0.9673 1.0513 0.1164 0.0416 -0.0279 504 CLA C C10 ? ? 1 +54673 C C11 . CLA EX . 0.3422 0.9720 1.0594 0.1240 0.0372 -0.0279 504 CLA C C11 ? ? 1 +54674 C C12 . CLA EX . 0.3529 0.9633 1.0546 0.1240 0.0344 -0.0262 504 CLA C C12 ? ? 1 +54675 C C13 . CLA EX . 0.3505 0.9558 1.0477 0.1166 0.0302 -0.0228 504 CLA C C13 ? ? 1 +54676 C C14 . CLA EX . 0.3432 0.9569 1.0488 0.1170 0.0252 -0.0210 504 CLA C C14 ? ? 1 +54677 C C15 . CLA EX . 0.3622 0.9483 1.0443 0.1162 0.0279 -0.0215 504 CLA C C15 ? ? 1 +54678 C C16 . CLA EX . 0.3680 0.9448 1.0404 0.1134 0.0320 -0.0227 504 CLA C C16 ? ? 1 +54679 C C17 . CLA EX . 0.3723 0.9314 1.0307 0.1102 0.0291 -0.0211 504 CLA C C17 ? ? 1 +54680 C C18 . CLA EX . 0.3862 0.9319 1.0355 0.1167 0.0283 -0.0221 504 CLA C C18 ? ? 1 +54681 C C19 . CLA EX . 0.3939 0.9428 1.0466 0.1260 0.0309 -0.0249 504 CLA C C19 ? ? 1 +54682 C C20 . CLA EX . 0.3938 0.9230 1.0312 0.1143 0.0243 -0.0202 504 CLA C C20 ? ? 1 +54683 O O1 A LHG EY . 0.2823 0.8413 0.8897 0.0227 -0.0479 0.0635 406 LHG D O1 ? ? 1 +54684 O O1 B LHG EY . 0.2988 0.8508 0.9011 0.0222 -0.0459 0.0650 406 LHG D O1 ? ? 1 +54685 C C1 A LHG EY . 0.2796 0.8388 0.8908 0.0239 -0.0481 0.0626 406 LHG D C1 ? ? 1 +54686 C C1 B LHG EY . 0.2916 0.8464 0.8997 0.0234 -0.0468 0.0636 406 LHG D C1 ? ? 1 +54687 C C2 A LHG EY . 0.2898 0.8443 0.8954 0.0308 -0.0519 0.0627 406 LHG D C2 ? ? 1 +54688 C C2 B LHG EY . 0.2947 0.8511 0.9019 0.0301 -0.0519 0.0624 406 LHG D C2 ? ? 1 +54689 O O2 A LHG EY . 0.2906 0.8514 0.8972 0.0344 -0.0565 0.0613 406 LHG D O2 ? ? 1 +54690 O O2 B LHG EY . 0.2891 0.8572 0.9038 0.0306 -0.0550 0.0601 406 LHG D O2 ? ? 1 +54691 C C3 A LHG EY . 0.2865 0.8435 0.8976 0.0327 -0.0528 0.0612 406 LHG D C3 ? ? 1 +54692 C C3 B LHG EY . 0.2911 0.8482 0.9023 0.0324 -0.0526 0.0612 406 LHG D C3 ? ? 1 +54693 O O3 A LHG EY . 0.2727 0.8432 0.8949 0.0337 -0.0558 0.0581 406 LHG D O3 ? ? 1 +54694 O O3 B LHG EY . 0.2735 0.8440 0.8967 0.0326 -0.0549 0.0581 406 LHG D O3 ? ? 1 +54695 P P A LHG EY . 0.2697 0.8434 0.8960 0.0389 -0.0588 0.0562 406 LHG D P ? ? 1 +54696 P P B LHG EY . 0.2679 0.8414 0.8942 0.0385 -0.0585 0.0563 406 LHG D P ? ? 1 +54697 O O4 A LHG EY . 0.2738 0.8527 0.9005 0.0441 -0.0640 0.0549 406 LHG D O4 ? ? 1 +54698 O O4 B LHG EY . 0.2724 0.8504 0.8982 0.0432 -0.0634 0.0553 406 LHG D O4 ? ? 1 +54699 O O5 A LHG EY . 0.2786 0.8404 0.8974 0.0405 -0.0569 0.0580 406 LHG D O5 ? ? 1 +54700 O O5 B LHG EY . 0.2765 0.8385 0.8955 0.0407 -0.0570 0.0579 406 LHG D O5 ? ? 1 +54701 O O6 A LHG EY . 0.2564 0.8416 0.8956 0.0349 -0.0573 0.0537 406 LHG D O6 ? ? 1 +54702 O O6 B LHG EY . 0.2546 0.8397 0.8939 0.0351 -0.0573 0.0537 406 LHG D O6 ? ? 1 +54703 C C4 A LHG EY . 0.2490 0.8471 0.8977 0.0348 -0.0598 0.0511 406 LHG D C4 ? ? 1 +54704 C C4 B LHG EY . 0.2475 0.8455 0.8962 0.0349 -0.0598 0.0511 406 LHG D C4 ? ? 1 +54705 C C5 A LHG EY . 0.2383 0.8436 0.8953 0.0287 -0.0568 0.0501 406 LHG D C5 ? ? 1 +54706 C C5 B LHG EY . 0.2370 0.8421 0.8941 0.0288 -0.0567 0.0501 406 LHG D C5 ? ? 1 +54707 C C6 A LHG EY . 0.2308 0.8483 0.8967 0.0276 -0.0587 0.0477 406 LHG D C6 ? ? 1 +54708 C C6 B LHG EY . 0.2302 0.8476 0.8962 0.0278 -0.0587 0.0476 406 LHG D C6 ? ? 1 +54709 O O7 A LHG EY . 0.2361 0.8419 0.8974 0.0284 -0.0551 0.0492 406 LHG D O7 ? ? 1 +54710 O O7 B LHG EY . 0.2359 0.8412 0.8969 0.0284 -0.0549 0.0492 406 LHG D O7 ? ? 1 +54711 C C7 A LHG EY . 0.2405 0.8410 0.9000 0.0242 -0.0512 0.0504 406 LHG D C7 ? ? 1 +54712 C C7 B LHG EY . 0.2432 0.8432 0.9024 0.0242 -0.0511 0.0504 406 LHG D C7 ? ? 1 +54713 O O9 A LHG EY . 0.2406 0.8363 0.8957 0.0208 -0.0491 0.0522 406 LHG D O9 ? ? 1 +54714 O O9 B LHG EY . 0.2425 0.8375 0.8973 0.0208 -0.0489 0.0523 406 LHG D O9 ? ? 1 +54715 C C8 A LHG EY . 0.2408 0.8426 0.9049 0.0242 -0.0499 0.0491 406 LHG D C8 ? ? 1 +54716 C C8 B LHG EY . 0.2449 0.8466 0.9090 0.0242 -0.0499 0.0490 406 LHG D C8 ? ? 1 +54717 C C9 A LHG EY . 0.2348 0.8396 0.9037 0.0183 -0.0466 0.0486 406 LHG D C9 ? ? 1 +54718 C C9 B LHG EY . 0.2405 0.8452 0.9095 0.0183 -0.0466 0.0486 406 LHG D C9 ? ? 1 +54719 C C10 A LHG EY . 0.2266 0.8429 0.9040 0.0158 -0.0471 0.0469 406 LHG D C10 ? ? 1 +54720 C C10 B LHG EY . 0.2349 0.8508 0.9120 0.0157 -0.0470 0.0469 406 LHG D C10 ? ? 1 +54721 O O8 A LHG EY . 0.2253 0.8476 0.8972 0.0218 -0.0556 0.0472 406 LHG D O8 ? ? 1 +54722 O O8 B LHG EY . 0.2261 0.8484 0.8983 0.0220 -0.0556 0.0471 406 LHG D O8 ? ? 1 +54723 C C23 A LHG EY . 0.2210 0.8529 0.9000 0.0200 -0.0566 0.0453 406 LHG D C23 ? ? 1 +54724 C C23 B LHG EY . 0.2235 0.8549 0.9021 0.0200 -0.0565 0.0454 406 LHG D C23 ? ? 1 +54725 O O10 A LHG EY . 0.2232 0.8601 0.9041 0.0228 -0.0600 0.0439 406 LHG D O10 ? ? 1 +54726 O O10 B LHG EY . 0.2264 0.8621 0.9060 0.0225 -0.0598 0.0443 406 LHG D O10 ? ? 1 +54727 C C24 A LHG EY . 0.2137 0.8490 0.8976 0.0143 -0.0532 0.0450 406 LHG D C24 ? ? 1 +54728 C C24 B LHG EY . 0.2165 0.8516 0.9004 0.0144 -0.0531 0.0450 406 LHG D C24 ? ? 1 +54729 C C11 A LHG EY . 0.2215 0.8421 0.9050 0.0116 -0.0446 0.0457 406 LHG D C11 ? ? 1 +54730 C C11 B LHG EY . 0.2324 0.8530 0.9158 0.0115 -0.0446 0.0457 406 LHG D C11 ? ? 1 +54731 C C12 A LHG EY . 0.2156 0.8474 0.9077 0.0105 -0.0453 0.0435 406 LHG D C12 ? ? 1 +54732 C C12 B LHG EY . 0.2294 0.8612 0.9214 0.0107 -0.0454 0.0435 406 LHG D C12 ? ? 1 +54733 C C13 A LHG EY . 0.2146 0.8506 0.9125 0.0101 -0.0441 0.0416 406 LHG D C13 ? ? 1 +54734 C C13 B LHG EY . 0.2321 0.8683 0.9300 0.0108 -0.0445 0.0415 406 LHG D C13 ? ? 1 +54735 C C14 A LHG EY . 0.2106 0.8572 0.9167 0.0098 -0.0448 0.0393 406 LHG D C14 ? ? 1 +54736 C C14 B LHG EY . 0.2299 0.8767 0.9360 0.0095 -0.0448 0.0394 406 LHG D C14 ? ? 1 +54737 C C15 A LHG EY . 0.2058 0.8561 0.9165 0.0058 -0.0422 0.0383 406 LHG D C15 ? ? 1 +54738 C C15 B LHG EY . 0.2273 0.8767 0.9372 0.0052 -0.0420 0.0387 406 LHG D C15 ? ? 1 +54739 C C16 A LHG EY . 0.2016 0.8592 0.9171 0.0027 -0.0422 0.0375 406 LHG D C16 ? ? 1 +54740 C C16 B LHG EY . 0.2263 0.8837 0.9418 0.0024 -0.0420 0.0375 406 LHG D C16 ? ? 1 +54741 C C17 A LHG EY . 0.1991 0.8576 0.9164 -0.0017 -0.0395 0.0373 406 LHG D C17 ? ? 1 +54742 C C17 B LHG EY . 0.2267 0.8851 0.9442 -0.0018 -0.0393 0.0372 406 LHG D C17 ? ? 1 +54743 C C18 A LHG EY . 0.1944 0.8589 0.9156 -0.0047 -0.0393 0.0366 406 LHG D C18 ? ? 1 +54744 C C18 B LHG EY . 0.2237 0.8878 0.9447 -0.0050 -0.0390 0.0367 406 LHG D C18 ? ? 1 +54745 C C19 A LHG EY . 0.1915 0.8621 0.9185 -0.0060 -0.0379 0.0347 406 LHG D C19 ? ? 1 +54746 C C19 B LHG EY . 0.2229 0.8941 0.9503 -0.0059 -0.0381 0.0346 406 LHG D C19 ? ? 1 +54747 C C20 A LHG EY . 0.1888 0.8623 0.9177 -0.0100 -0.0367 0.0345 406 LHG D C20 ? ? 1 +54748 C C20 B LHG EY . 0.2234 0.8978 0.9528 -0.0098 -0.0370 0.0343 406 LHG D C20 ? ? 1 +54749 C C21 A LHG EY . 0.1880 0.8681 0.9228 -0.0110 -0.0356 0.0325 406 LHG D C21 ? ? 1 +54750 C C21 B LHG EY . 0.2263 0.9073 0.9617 -0.0107 -0.0358 0.0323 406 LHG D C21 ? ? 1 +54751 C C22 A LHG EY . 0.1865 0.8691 0.9225 -0.0146 -0.0347 0.0324 406 LHG D C22 ? ? 1 +54752 C C22 B LHG EY . 0.2291 0.9130 0.9661 -0.0142 -0.0350 0.0320 406 LHG D C22 ? ? 1 +54753 C C25 A LHG EY . 0.2073 0.8536 0.9009 0.0128 -0.0538 0.0424 406 LHG D C25 ? ? 1 +54754 C C25 B LHG EY . 0.2120 0.8581 0.9055 0.0130 -0.0539 0.0424 406 LHG D C25 ? ? 1 +54755 C C26 A LHG EY . 0.2087 0.8593 0.9079 0.0154 -0.0545 0.0405 406 LHG D C26 ? ? 1 +54756 C C26 B LHG EY . 0.2148 0.8654 0.9140 0.0155 -0.0545 0.0405 406 LHG D C26 ? ? 1 +54757 C C27 A LHG EY . 0.2027 0.8641 0.9114 0.0139 -0.0548 0.0378 406 LHG D C27 ? ? 1 +54758 C C27 B LHG EY . 0.2094 0.8708 0.9182 0.0138 -0.0546 0.0378 406 LHG D C27 ? ? 1 +54759 C C28 A LHG EY . 0.2054 0.8719 0.9197 0.0174 -0.0559 0.0357 406 LHG D C28 ? ? 1 +54760 C C28 B LHG EY . 0.2132 0.8797 0.9277 0.0173 -0.0558 0.0356 406 LHG D C28 ? ? 1 +54761 C C29 A LHG EY . 0.2050 0.8709 0.9219 0.0159 -0.0527 0.0353 406 LHG D C29 ? ? 1 +54762 C C29 B LHG EY . 0.2138 0.8795 0.9306 0.0160 -0.0527 0.0354 406 LHG D C29 ? ? 1 +54763 C C30 A LHG EY . 0.2087 0.8792 0.9307 0.0197 -0.0535 0.0333 406 LHG D C30 ? ? 1 +54764 C C30 B LHG EY . 0.2185 0.8887 0.9403 0.0199 -0.0536 0.0333 406 LHG D C30 ? ? 1 +54765 C C31 A LHG EY . 0.2046 0.8863 0.9365 0.0183 -0.0534 0.0305 406 LHG D C31 ? ? 1 +54766 C C31 B LHG EY . 0.2160 0.8976 0.9477 0.0187 -0.0536 0.0304 406 LHG D C31 ? ? 1 +54767 C C32 A LHG EY . 0.2094 0.8967 0.9468 0.0228 -0.0548 0.0282 406 LHG D C32 ? ? 1 +54768 C C32 B LHG EY . 0.2219 0.9089 0.9590 0.0233 -0.0550 0.0282 406 LHG D C32 ? ? 1 +54769 C C33 A LHG EY . 0.2060 0.9036 0.9533 0.0208 -0.0532 0.0254 406 LHG D C33 ? ? 1 +54770 C C33 B LHG EY . 0.2205 0.9179 0.9676 0.0213 -0.0535 0.0254 406 LHG D C33 ? ? 1 +54771 C C34 A LHG EY . 0.2115 0.9166 0.9655 0.0253 -0.0551 0.0228 406 LHG D C34 ? ? 1 +54772 C C34 B LHG EY . 0.2282 0.9331 0.9820 0.0259 -0.0554 0.0227 406 LHG D C34 ? ? 1 +54773 C C35 A LHG EY . 0.2199 0.9199 0.9709 0.0299 -0.0548 0.0231 406 LHG D C35 ? ? 1 +54774 C C35 B LHG EY . 0.2374 0.9380 0.9891 0.0299 -0.0545 0.0229 406 LHG D C35 ? ? 1 +54775 C C36 A LHG EY . 0.2202 0.9288 0.9795 0.0337 -0.0553 0.0201 406 LHG D C36 ? ? 1 +54776 C C36 B LHG EY . 0.2373 0.9469 0.9977 0.0336 -0.0550 0.0198 406 LHG D C36 ? ? 1 +54777 C C37 A LHG EY . 0.2199 0.9379 0.9856 0.0362 -0.0592 0.0179 406 LHG D C37 ? ? 1 +54778 C C37 B LHG EY . 0.2394 0.9569 1.0047 0.0371 -0.0594 0.0179 406 LHG D C37 ? ? 1 +54779 C C38 A LHG EY . 0.2254 0.9502 0.9978 0.0416 -0.0604 0.0152 406 LHG D C38 ? ? 1 +54780 C C38 B LHG EY . 0.2455 0.9720 1.0197 0.0410 -0.0597 0.0147 406 LHG D C38 ? ? 1 +54781 C C1 . BCR EZ . 0.2626 0.9922 1.0317 0.0180 -0.0630 0.0175 102 BCR T C1 ? ? 1 +54782 C C2 . BCR EZ . 0.2648 0.9909 1.0317 0.0235 -0.0635 0.0181 102 BCR T C2 ? ? 1 +54783 C C3 . BCR EZ . 0.2607 0.9964 1.0369 0.0266 -0.0644 0.0149 102 BCR T C3 ? ? 1 +54784 C C4 . BCR EZ . 0.2548 0.9988 1.0363 0.0283 -0.0690 0.0124 102 BCR T C4 ? ? 1 +54785 C C5 . BCR EZ . 0.2434 0.9911 1.0274 0.0227 -0.0685 0.0117 102 BCR T C5 ? ? 1 +54786 C C6 . BCR EZ . 0.2448 0.9854 1.0226 0.0182 -0.0659 0.0141 102 BCR T C6 ? ? 1 +54787 C C7 . BCR EZ . 0.2372 0.9812 1.0173 0.0134 -0.0659 0.0132 102 BCR T C7 ? ? 1 +54788 C C8 . BCR EZ . 0.2309 0.9697 1.0061 0.0089 -0.0638 0.0151 102 BCR T C8 ? ? 1 +54789 C C9 . BCR EZ . 0.2319 0.9744 1.0095 0.0051 -0.0645 0.0138 102 BCR T C9 ? ? 1 +54790 C C10 . BCR EZ . 0.2266 0.9635 0.9992 0.0007 -0.0621 0.0157 102 BCR T C10 ? ? 1 +54791 C C11 . BCR EZ . 0.2254 0.9641 0.9989 -0.0033 -0.0621 0.0148 102 BCR T C11 ? ? 1 +54792 C C33 . BCR EZ . 0.2257 0.9852 1.0195 0.0229 -0.0715 0.0079 102 BCR T C33 ? ? 1 +54793 C C31 . BCR EZ . 0.2761 0.9966 1.0350 0.0177 -0.0645 0.0204 102 BCR T C31 ? ? 1 +54794 C C32 . BCR EZ . 0.2621 0.9914 1.0332 0.0128 -0.0579 0.0179 102 BCR T C32 ? ? 1 +54795 C C34 . BCR EZ . 0.2377 0.9904 1.0236 0.0056 -0.0678 0.0102 102 BCR T C34 ? ? 1 +54796 C C12 . BCR EZ . 0.2287 0.9616 0.9972 -0.0072 -0.0594 0.0168 102 BCR T C12 ? ? 1 +54797 C C13 . BCR EZ . 0.2192 0.9529 0.9881 -0.0114 -0.0589 0.0161 102 BCR T C13 ? ? 1 +54798 C C14 . BCR EZ . 0.1956 0.9229 0.9590 -0.0147 -0.0560 0.0182 102 BCR T C14 ? ? 1 +54799 C C15 . BCR EZ . 0.1907 0.9176 0.9538 -0.0188 -0.0547 0.0179 102 BCR T C15 ? ? 1 +54800 C C16 . BCR EZ . 0.1890 0.9094 0.9462 -0.0213 -0.0524 0.0200 102 BCR T C16 ? ? 1 +54801 C C17 . BCR EZ . 0.1839 0.9035 0.9406 -0.0252 -0.0510 0.0195 102 BCR T C17 ? ? 1 +54802 C C18 . BCR EZ . 0.1812 0.8946 0.9322 -0.0274 -0.0487 0.0215 102 BCR T C18 ? ? 1 +54803 C C19 . BCR EZ . 0.1752 0.8887 0.9270 -0.0312 -0.0473 0.0205 102 BCR T C19 ? ? 1 +54804 C C20 . BCR EZ . 0.1709 0.8792 0.9183 -0.0336 -0.0450 0.0219 102 BCR T C20 ? ? 1 +54805 C C21 . BCR EZ . 0.1668 0.8751 0.9150 -0.0372 -0.0434 0.0207 102 BCR T C21 ? ? 1 +54806 C C22 . BCR EZ . 0.1643 0.8672 0.9079 -0.0393 -0.0412 0.0220 102 BCR T C22 ? ? 1 +54807 C C23 . BCR EZ . 0.1630 0.8662 0.9081 -0.0429 -0.0396 0.0205 102 BCR T C23 ? ? 1 +54808 C C24 . BCR EZ . 0.1592 0.8574 0.9005 -0.0450 -0.0370 0.0214 102 BCR T C24 ? ? 1 +54809 C C25 . BCR EZ . 0.1559 0.8535 0.8981 -0.0487 -0.0352 0.0199 102 BCR T C25 ? ? 1 +54810 C C26 . BCR EZ . 0.1518 0.8528 0.8974 -0.0506 -0.0367 0.0174 102 BCR T C26 ? ? 1 +54811 C C27 . BCR EZ . 0.1520 0.8528 0.8995 -0.0549 -0.0343 0.0156 102 BCR T C27 ? ? 1 +54812 C C28 . BCR EZ . 0.1546 0.8521 0.9009 -0.0564 -0.0302 0.0168 102 BCR T C28 ? ? 1 +54813 C C29 . BCR EZ . 0.1557 0.8469 0.8950 -0.0542 -0.0296 0.0197 102 BCR T C29 ? ? 1 +54814 C C30 . BCR EZ . 0.1557 0.8486 0.8950 -0.0503 -0.0316 0.0212 102 BCR T C30 ? ? 1 +54815 C C35 . BCR EZ . 0.2068 0.9485 0.9822 -0.0124 -0.0617 0.0127 102 BCR T C35 ? ? 1 +54816 C C36 . BCR EZ . 0.1713 0.8779 0.9156 -0.0257 -0.0480 0.0245 102 BCR T C36 ? ? 1 +54817 C C37 . BCR EZ . 0.1564 0.8534 0.8936 -0.0376 -0.0407 0.0248 102 BCR T C37 ? ? 1 +54818 C C38 . BCR EZ . 0.1470 0.8520 0.8944 -0.0488 -0.0408 0.0159 102 BCR T C38 ? ? 1 +54819 C C39 . BCR EZ . 0.1530 0.8484 0.8957 -0.0497 -0.0297 0.0215 102 BCR T C39 ? ? 1 +54820 C C40 . BCR EZ . 0.1587 0.8454 0.8911 -0.0485 -0.0315 0.0238 102 BCR T C40 ? ? 1 +54821 MG MG . CLA FA . 0.1378 0.9455 1.0183 -0.1343 -0.0566 -0.0639 603 CLA b MG ? ? 1 +54822 C CHA . CLA FA . 0.1381 0.9167 0.9939 -0.1333 -0.0414 -0.0512 603 CLA b CHA ? ? 1 +54823 C CHB . CLA FA . 0.1556 0.9351 1.0110 -0.1412 -0.0591 -0.0647 603 CLA b CHB ? ? 1 +54824 C CHC . CLA FA . 0.1393 0.9688 1.0311 -0.1261 -0.0779 -0.0729 603 CLA b CHC ? ? 1 +54825 C CHD . CLA FA . 0.1202 0.9484 1.0138 -0.1193 -0.0580 -0.0596 603 CLA b CHD ? ? 1 +54826 N NA . CLA FA . 0.1442 0.9286 1.0045 -0.1368 -0.0513 -0.0589 603 CLA b NA ? ? 1 +54827 C C1A . CLA FA . 0.1437 0.9190 0.9968 -0.1367 -0.0451 -0.0545 603 CLA b C1A ? ? 1 +54828 C C2A . CLA FA . 0.1519 0.9116 0.9928 -0.1404 -0.0418 -0.0527 603 CLA b C2A ? ? 1 +54829 C C3A . CLA FA . 0.1572 0.9183 1.0002 -0.1445 -0.0461 -0.0576 603 CLA b C3A ? ? 1 +54830 C C4A . CLA FA . 0.1517 0.9278 1.0053 -0.1405 -0.0528 -0.0606 603 CLA b C4A ? ? 1 +54831 C CMA . CLA FA . 0.1639 0.9238 1.0120 -0.1538 -0.0410 -0.0610 603 CLA b CMA ? ? 1 +54832 C CAA . CLA FA . 0.1530 0.9008 0.9789 -0.1342 -0.0430 -0.0476 603 CLA b CAA ? ? 1 +54833 C CBA . CLA FA . 0.1522 0.9040 0.9763 -0.1276 -0.0507 -0.0477 603 CLA b CBA ? ? 1 +54834 C CGA . CLA FA . 0.1632 0.9101 0.9818 -0.1291 -0.0552 -0.0503 603 CLA b CGA ? ? 1 +54835 O O1A . CLA FA . 0.1704 0.9074 0.9827 -0.1336 -0.0525 -0.0506 603 CLA b O1A ? ? 1 +54836 O O2A . CLA FA . 0.1735 0.9270 0.9939 -0.1249 -0.0630 -0.0525 603 CLA b O2A ? ? 1 +54837 N NB . CLA FA . 0.1449 0.9501 1.0197 -0.1339 -0.0664 -0.0678 603 CLA b NB ? ? 1 +54838 C C1B . CLA FA . 0.1521 0.9458 1.0174 -0.1377 -0.0663 -0.0682 603 CLA b C1B ? ? 1 +54839 C C2B . CLA FA . 0.1571 0.9520 1.0208 -0.1371 -0.0741 -0.0719 603 CLA b C2B ? ? 1 +54840 C C3B . CLA FA . 0.1522 0.9622 1.0266 -0.1323 -0.0797 -0.0742 603 CLA b C3B ? ? 1 +54841 C C4B . CLA FA . 0.1450 0.9604 1.0261 -0.1312 -0.0743 -0.0717 603 CLA b C4B ? ? 1 +54842 C CMB . CLA FA . 0.1659 0.9492 1.0191 -0.1401 -0.0758 -0.0731 603 CLA b CMB ? ? 1 +54843 C CAB . CLA FA . 0.1546 0.9737 1.0339 -0.1296 -0.0888 -0.0787 603 CLA b CAB ? ? 1 +54844 C CBB . CLA FA . 0.1617 0.9795 1.0402 -0.1337 -0.0927 -0.0830 603 CLA b CBB ? ? 1 +54845 N NC . CLA FA . 0.1304 0.9548 1.0203 -0.1248 -0.0656 -0.0654 603 CLA b NC ? ? 1 +54846 C C1C . CLA FA . 0.1325 0.9654 1.0274 -0.1226 -0.0736 -0.0694 603 CLA b C1C ? ? 1 +54847 C C2C . CLA FA . 0.1274 0.9718 1.0292 -0.1155 -0.0787 -0.0699 603 CLA b C2C ? ? 1 +54848 C C3C . CLA FA . 0.1221 0.9659 1.0245 -0.1137 -0.0725 -0.0660 603 CLA b C3C ? ? 1 +54849 C C4C . CLA FA . 0.1240 0.9563 1.0198 -0.1199 -0.0650 -0.0638 603 CLA b C4C ? ? 1 +54850 C CMC . CLA FA . 0.1286 0.9825 1.0350 -0.1109 -0.0879 -0.0734 603 CLA b CMC ? ? 1 +54851 C CAC . CLA FA . 0.1166 0.9692 1.0249 -0.1071 -0.0736 -0.0647 603 CLA b CAC ? ? 1 +54852 C CBC . CLA FA . 0.1141 0.9573 1.0091 -0.0996 -0.0755 -0.0592 603 CLA b CBC ? ? 1 +54853 N ND . CLA FA . 0.1299 0.9333 1.0040 -0.1269 -0.0521 -0.0566 603 CLA b ND ? ? 1 +54854 C C1D . CLA FA . 0.1230 0.9372 1.0062 -0.1230 -0.0516 -0.0562 603 CLA b C1D ? ? 1 +54855 C C2D . CLA FA . 0.1193 0.9269 0.9971 -0.1215 -0.0452 -0.0512 603 CLA b C2D ? ? 1 +54856 C C3D . CLA FA . 0.1262 0.9198 0.9933 -0.1261 -0.0410 -0.0495 603 CLA b C3D ? ? 1 +54857 C C4D . CLA FA . 0.1311 0.9240 0.9980 -0.1293 -0.0448 -0.0529 603 CLA b C4D ? ? 1 +54858 C CMD . CLA FA . 0.1129 0.9252 0.9941 -0.1171 -0.0425 -0.0487 603 CLA b CMD ? ? 1 +54859 C CAD . CLA FA . 0.1302 0.9095 0.9859 -0.1280 -0.0346 -0.0452 603 CLA b CAD ? ? 1 +54860 O OBD . CLA FA . 0.1260 0.9013 0.9781 -0.1261 -0.0298 -0.0413 603 CLA b OBD ? ? 1 +54861 C CBD . CLA FA . 0.1390 0.9083 0.9872 -0.1327 -0.0346 -0.0462 603 CLA b CBD ? ? 1 +54862 C CGD . CLA FA . 0.1457 0.9102 0.9948 -0.1401 -0.0270 -0.0468 603 CLA b CGD ? ? 1 +54863 O O1D . CLA FA . 0.1506 0.9018 0.9888 -0.1418 -0.0227 -0.0438 603 CLA b O1D ? ? 1 +54864 O O2D . CLA FA . 0.1475 0.9233 1.0108 -0.1453 -0.0241 -0.0509 603 CLA b O2D ? ? 1 +54865 C CED . CLA FA . 0.1527 0.9236 1.0160 -0.1513 -0.0159 -0.0503 603 CLA b CED ? ? 1 +54866 C C1 . CLA FA . 0.1924 0.9431 1.0097 -0.1272 -0.0675 -0.0560 603 CLA b C1 ? ? 1 +54867 C C2 . CLA FA . 0.2003 0.9617 1.0232 -0.1230 -0.0754 -0.0589 603 CLA b C2 ? ? 1 +54868 C C3 . CLA FA . 0.2207 0.9805 1.0396 -0.1226 -0.0814 -0.0618 603 CLA b C3 ? ? 1 +54869 C C4 . CLA FA . 0.2276 0.9750 1.0366 -0.1267 -0.0805 -0.0625 603 CLA b C4 ? ? 1 +54870 C C5 . CLA FA . 0.2360 1.0072 1.0609 -0.1178 -0.0892 -0.0645 603 CLA b C5 ? ? 1 +54871 C C6 . CLA FA . 0.2555 1.0260 1.0774 -0.1185 -0.0960 -0.0688 603 CLA b C6 ? ? 1 +54872 C C7 . CLA FA . 0.2656 1.0512 1.0988 -0.1158 -0.1028 -0.0727 603 CLA b C7 ? ? 1 +54873 C C8 . CLA FA . 0.2875 1.0761 1.1203 -0.1152 -0.1109 -0.0774 603 CLA b C8 ? ? 1 +54874 C C9 . CLA FA . 0.2886 1.0930 1.1375 -0.1183 -0.1152 -0.0838 603 CLA b C9 ? ? 1 +54875 C C10 . CLA FA . 0.3093 1.0879 1.1268 -0.1096 -0.1156 -0.0755 603 CLA b C10 ? ? 1 +54876 C C11 . CLA FA . 0.3328 1.1039 1.1444 -0.1146 -0.1176 -0.0791 603 CLA b C11 ? ? 1 +54877 C C12 . CLA FA . 0.3539 1.1135 1.1491 -0.1091 -0.1215 -0.0769 603 CLA b C12 ? ? 1 +54878 C C13 . CLA FA . 0.3822 1.1396 1.1743 -0.1122 -0.1270 -0.0822 603 CLA b C13 ? ? 1 +54879 C C14 . CLA FA . 0.3912 1.1415 1.1695 -0.1051 -0.1326 -0.0807 603 CLA b C14 ? ? 1 +54880 C C15 . CLA FA . 0.3991 1.1460 1.1868 -0.1196 -0.1217 -0.0830 603 CLA b C15 ? ? 1 +54881 C C16 . CLA FA . 0.4128 1.1538 1.1940 -0.1224 -0.1265 -0.0875 603 CLA b C16 ? ? 1 +54882 C C17 . CLA FA . 0.4257 1.1806 1.2200 -0.1252 -0.1331 -0.0945 603 CLA b C17 ? ? 1 +54883 C C18 . CLA FA . 0.4474 1.1979 1.2400 -0.1320 -0.1355 -0.1001 603 CLA b C18 ? ? 1 +54884 C C19 . CLA FA . 0.4615 1.1951 1.2415 -0.1361 -0.1305 -0.0987 603 CLA b C19 ? ? 1 +54885 C C20 . CLA FA . 0.4533 1.2142 1.2543 -0.1342 -0.1438 -0.1075 603 CLA b C20 ? ? 1 +54886 O O1 A LHG FB . 0.3041 0.9047 0.8744 0.0093 -0.0769 0.0334 629 LHG b O1 ? ? 1 +54887 O O1 B LHG FB . 0.3156 0.9166 0.8862 0.0095 -0.0773 0.0333 629 LHG b O1 ? ? 1 +54888 C C1 A LHG FB . 0.3107 0.9050 0.8720 0.0092 -0.0746 0.0335 629 LHG b C1 ? ? 1 +54889 C C1 B LHG FB . 0.3227 0.9173 0.8843 0.0093 -0.0750 0.0334 629 LHG b C1 ? ? 1 +54890 C C2 A LHG FB . 0.3245 0.9097 0.8713 0.0134 -0.0761 0.0347 629 LHG b C2 ? ? 1 +54891 C C2 B LHG FB . 0.3358 0.9213 0.8829 0.0135 -0.0765 0.0346 629 LHG b C2 ? ? 1 +54892 O O2 A LHG FB . 0.3264 0.9065 0.8690 0.0147 -0.0719 0.0385 629 LHG b O2 ? ? 1 +54893 O O2 B LHG FB . 0.3374 0.9176 0.8801 0.0148 -0.0721 0.0385 629 LHG b O2 ? ? 1 +54894 C C3 A LHG FB . 0.3328 0.9117 0.8697 0.0136 -0.0749 0.0340 629 LHG b C3 ? ? 1 +54895 C C3 B LHG FB . 0.3438 0.9232 0.8812 0.0137 -0.0755 0.0338 629 LHG b C3 ? ? 1 +54896 O O3 A LHG FB . 0.3339 0.9153 0.8708 0.0138 -0.0808 0.0301 629 LHG b O3 ? ? 1 +54897 O O3 B LHG FB . 0.3422 0.9252 0.8813 0.0134 -0.0812 0.0297 629 LHG b O3 ? ? 1 +54898 P P A LHG FB . 0.3354 0.9152 0.8698 0.0117 -0.0797 0.0279 629 LHG b P ? ? 1 +54899 P P B LHG FB . 0.3457 0.9258 0.8804 0.0118 -0.0801 0.0277 629 LHG b P ? ? 1 +54900 O O4 A LHG FB . 0.3403 0.9107 0.8627 0.0131 -0.0746 0.0304 629 LHG b O4 ? ? 1 +54901 O O4 B LHG FB . 0.3489 0.9195 0.8716 0.0132 -0.0750 0.0304 629 LHG b O4 ? ? 1 +54902 O O5 A LHG FB . 0.3404 0.9229 0.8751 0.0120 -0.0866 0.0237 629 LHG b O5 ? ? 1 +54903 O O5 B LHG FB . 0.3528 0.9350 0.8867 0.0124 -0.0872 0.0236 629 LHG b O5 ? ? 1 +54904 O O6 A LHG FB . 0.3261 0.9132 0.8740 0.0071 -0.0758 0.0277 629 LHG b O6 ? ? 1 +54905 O O6 B LHG FB . 0.3391 0.9265 0.8870 0.0070 -0.0767 0.0271 629 LHG b O6 ? ? 1 +54906 C C4 A LHG FB . 0.3268 0.9110 0.8735 0.0053 -0.0694 0.0293 629 LHG b C4 ? ? 1 +54907 C C4 B LHG FB . 0.3414 0.9260 0.8884 0.0054 -0.0699 0.0291 629 LHG b C4 ? ? 1 +54908 C C5 A LHG FB . 0.3156 0.9072 0.8753 0.0015 -0.0671 0.0289 629 LHG b C5 ? ? 1 +54909 C C5 B LHG FB . 0.3313 0.9234 0.8915 0.0015 -0.0677 0.0286 629 LHG b C5 ? ? 1 +54910 C C6 A LHG FB . 0.3120 0.9019 0.8723 0.0001 -0.0602 0.0313 629 LHG b C6 ? ? 1 +54911 C C6 B LHG FB . 0.3283 0.9186 0.8891 0.0000 -0.0608 0.0309 629 LHG b C6 ? ? 1 +54912 O O7 A LHG FB . 0.3168 0.9112 0.8797 -0.0006 -0.0703 0.0252 629 LHG b O7 ? ? 1 +54913 O O7 B LHG FB . 0.3337 0.9287 0.8970 -0.0004 -0.0713 0.0249 629 LHG b O7 ? ? 1 +54914 C C7 A LHG FB . 0.3100 0.9122 0.8839 -0.0028 -0.0731 0.0233 629 LHG b C7 ? ? 1 +54915 C C7 B LHG FB . 0.3283 0.9311 0.9032 -0.0031 -0.0731 0.0232 629 LHG b C7 ? ? 1 +54916 O O9 A LHG FB . 0.3056 0.9124 0.8862 -0.0028 -0.0733 0.0245 629 LHG b O9 ? ? 1 +54917 O O9 B LHG FB . 0.3228 0.9305 0.9055 -0.0038 -0.0724 0.0244 629 LHG b O9 ? ? 1 +54918 C C8 A LHG FB . 0.3110 0.9149 0.8871 -0.0053 -0.0756 0.0196 629 LHG b C8 ? ? 1 +54919 C C8 B LHG FB . 0.3317 0.9359 0.9084 -0.0055 -0.0756 0.0195 629 LHG b C8 ? ? 1 +54920 C C9 A LHG FB . 0.3043 0.9110 0.8880 -0.0088 -0.0716 0.0196 629 LHG b C9 ? ? 1 +54921 C C9 B LHG FB . 0.3276 0.9341 0.9112 -0.0090 -0.0716 0.0194 629 LHG b C9 ? ? 1 +54922 C C10 A LHG FB . 0.3102 0.9105 0.8870 -0.0085 -0.0666 0.0211 629 LHG b C10 ? ? 1 +54923 C C10 B LHG FB . 0.3348 0.9352 0.9118 -0.0084 -0.0661 0.0215 629 LHG b C10 ? ? 1 +54924 O O8 A LHG FB . 0.3005 0.8973 0.8728 -0.0033 -0.0586 0.0307 629 LHG b O8 ? ? 1 +54925 O O8 B LHG FB . 0.3171 0.9143 0.8899 -0.0034 -0.0592 0.0304 629 LHG b O8 ? ? 1 +54926 C C23 A LHG FB . 0.2987 0.9011 0.8795 -0.0040 -0.0596 0.0313 629 LHG b C23 ? ? 1 +54927 C C23 B LHG FB . 0.3198 0.9222 0.9007 -0.0041 -0.0593 0.0315 629 LHG b C23 ? ? 1 +54928 O O10 A LHG FB . 0.3007 0.9029 0.8799 -0.0020 -0.0620 0.0321 629 LHG b O10 ? ? 1 +54929 O O10 B LHG FB . 0.3205 0.9224 0.8998 -0.0021 -0.0610 0.0327 629 LHG b O10 ? ? 1 +54930 C C24 A LHG FB . 0.2932 0.9016 0.8849 -0.0074 -0.0573 0.0310 629 LHG b C24 ? ? 1 +54931 C C24 B LHG FB . 0.3193 0.9276 0.9111 -0.0074 -0.0570 0.0312 629 LHG b C24 ? ? 1 +54932 C C11 A LHG FB . 0.3022 0.9052 0.8864 -0.0110 -0.0618 0.0222 629 LHG b C11 ? ? 1 +54933 C C11 B LHG FB . 0.3283 0.9314 0.9127 -0.0110 -0.0616 0.0224 629 LHG b C11 ? ? 1 +54934 C C12 A LHG FB . 0.3057 0.9052 0.8863 -0.0097 -0.0562 0.0254 629 LHG b C12 ? ? 1 +54935 C C12 B LHG FB . 0.3360 0.9356 0.9169 -0.0098 -0.0558 0.0255 629 LHG b C12 ? ? 1 +54936 C C13 A LHG FB . 0.3040 0.9031 0.8870 -0.0114 -0.0520 0.0255 629 LHG b C13 ? ? 1 +54937 C C13 B LHG FB . 0.3379 0.9372 0.9215 -0.0116 -0.0519 0.0254 629 LHG b C13 ? ? 1 +54938 C C14 A LHG FB . 0.3042 0.9012 0.8852 -0.0101 -0.0464 0.0285 629 LHG b C14 ? ? 1 +54939 C C14 B LHG FB . 0.3382 0.9366 0.9217 -0.0107 -0.0463 0.0285 629 LHG b C14 ? ? 1 +54940 C C15 A LHG FB . 0.3081 0.9019 0.8863 -0.0102 -0.0429 0.0281 629 LHG b C15 ? ? 1 +54941 C C15 B LHG FB . 0.3482 0.9421 0.9265 -0.0101 -0.0427 0.0283 629 LHG b C15 ? ? 1 +54942 C C16 A LHG FB . 0.3042 0.9008 0.8885 -0.0109 -0.0380 0.0301 629 LHG b C16 ? ? 1 +54943 C C16 B LHG FB . 0.3509 0.9471 0.9345 -0.0106 -0.0376 0.0303 629 LHG b C16 ? ? 1 +54944 C C17 A LHG FB . 0.2997 0.8992 0.8909 -0.0131 -0.0378 0.0288 629 LHG b C17 ? ? 1 +54945 C C17 B LHG FB . 0.3504 0.9496 0.9410 -0.0129 -0.0374 0.0290 629 LHG b C17 ? ? 1 +54946 C C18 A LHG FB . 0.2937 0.8960 0.8904 -0.0134 -0.0333 0.0306 629 LHG b C18 ? ? 1 +54947 C C18 B LHG FB . 0.3459 0.9479 0.9421 -0.0131 -0.0329 0.0308 629 LHG b C18 ? ? 1 +54948 C C19 A LHG FB . 0.2995 0.8979 0.8915 -0.0119 -0.0296 0.0306 629 LHG b C19 ? ? 1 +54949 C C19 B LHG FB . 0.3537 0.9519 0.9454 -0.0117 -0.0293 0.0307 629 LHG b C19 ? ? 1 +54950 C C20 A LHG FB . 0.2996 0.8966 0.8923 -0.0129 -0.0302 0.0285 629 LHG b C20 ? ? 1 +54951 C C20 B LHG FB . 0.3543 0.9510 0.9464 -0.0127 -0.0302 0.0285 629 LHG b C20 ? ? 1 +54952 C C21 A LHG FB . 0.3037 0.8975 0.8927 -0.0110 -0.0263 0.0285 629 LHG b C21 ? ? 1 +54953 C C21 B LHG FB . 0.3573 0.9516 0.9472 -0.0112 -0.0261 0.0287 629 LHG b C21 ? ? 1 +54954 C C22 A LHG FB . 0.3060 0.8970 0.8943 -0.0117 -0.0271 0.0264 629 LHG b C22 ? ? 1 +54955 C C22 B LHG FB . 0.3593 0.9513 0.9492 -0.0120 -0.0270 0.0266 629 LHG b C22 ? ? 1 +54956 C C25 A LHG FB . 0.2916 0.9070 0.8930 -0.0086 -0.0602 0.0301 629 LHG b C25 ? ? 1 +54957 C C25 B LHG FB . 0.3230 0.9384 0.9245 -0.0087 -0.0601 0.0301 629 LHG b C25 ? ? 1 +54958 C C26 A LHG FB . 0.2859 0.9064 0.8973 -0.0117 -0.0574 0.0302 629 LHG b C26 ? ? 1 +54959 C C26 B LHG FB . 0.3215 0.9421 0.9331 -0.0118 -0.0575 0.0301 629 LHG b C26 ? ? 1 +54960 C C27 A LHG FB . 0.2873 0.9146 0.9079 -0.0136 -0.0607 0.0280 629 LHG b C27 ? ? 1 +54961 C C27 B LHG FB . 0.3304 0.9578 0.9511 -0.0136 -0.0609 0.0279 629 LHG b C27 ? ? 1 +54962 C C28 A LHG FB . 0.2859 0.9181 0.9158 -0.0156 -0.0582 0.0291 629 LHG b C28 ? ? 1 +54963 C C28 B LHG FB . 0.3373 0.9697 0.9673 -0.0156 -0.0583 0.0291 629 LHG b C28 ? ? 1 +54964 C C29 A LHG FB . 0.2895 0.9284 0.9282 -0.0175 -0.0611 0.0269 629 LHG b C29 ? ? 1 +54965 C C29 B LHG FB . 0.3501 0.9891 0.9890 -0.0175 -0.0612 0.0269 629 LHG b C29 ? ? 1 +54966 C C30 A LHG FB . 0.2939 0.9370 0.9390 -0.0171 -0.0608 0.0283 629 LHG b C30 ? ? 1 +54967 C C30 B LHG FB . 0.3651 1.0084 1.0105 -0.0172 -0.0608 0.0283 629 LHG b C30 ? ? 1 +54968 C C31 A LHG FB . 0.2959 0.9456 0.9509 -0.0197 -0.0616 0.0266 629 LHG b C31 ? ? 1 +54969 C C31 B LHG FB . 0.3771 1.0268 1.0323 -0.0199 -0.0614 0.0266 629 LHG b C31 ? ? 1 +54970 C C32 A LHG FB . 0.2979 0.9512 0.9587 -0.0193 -0.0608 0.0280 629 LHG b C32 ? ? 1 +54971 C C32 B LHG FB . 0.3866 1.0400 1.0478 -0.0196 -0.0604 0.0281 629 LHG b C32 ? ? 1 +54972 C C33 A LHG FB . 0.3018 0.9603 0.9716 -0.0223 -0.0594 0.0271 629 LHG b C33 ? ? 1 +54973 C C33 B LHG FB . 0.4055 1.0645 1.0759 -0.0225 -0.0597 0.0268 629 LHG b C33 ? ? 1 +54974 C C34 A LHG FB . 0.3104 0.9746 0.9870 -0.0218 -0.0613 0.0265 629 LHG b C34 ? ? 1 +54975 C C34 B LHG FB . 0.4283 1.0924 1.1049 -0.0217 -0.0612 0.0267 629 LHG b C34 ? ? 1 +54976 C C35 A LHG FB . 0.3117 0.9797 0.9960 -0.0243 -0.0587 0.0266 629 LHG b C35 ? ? 1 +54977 C C35 B LHG FB . 0.4392 1.1074 1.1237 -0.0242 -0.0588 0.0267 629 LHG b C35 ? ? 1 +54978 C C36 A LHG FB . 0.3216 0.9937 1.0116 -0.0274 -0.0594 0.0239 629 LHG b C36 ? ? 1 +54979 C C36 B LHG FB . 0.4636 1.1358 1.1537 -0.0272 -0.0596 0.0238 629 LHG b C36 ? ? 1 +54980 C C37 A LHG FB . 0.3222 1.0004 1.0208 -0.0286 -0.0593 0.0230 629 LHG b C37 ? ? 1 +54981 C C37 B LHG FB . 0.4690 1.1472 1.1678 -0.0286 -0.0592 0.0230 629 LHG b C37 ? ? 1 +54982 C C38 A LHG FB . 0.3233 1.0037 1.0269 -0.0324 -0.0577 0.0212 629 LHG b C38 ? ? 1 +54983 C C38 B LHG FB . 0.4741 1.1544 1.1775 -0.0325 -0.0578 0.0211 629 LHG b C38 ? ? 1 +54984 C C1 A GOL FC . 0.7657 1.0975 1.1656 0.0830 0.0042 -0.0016 526 GOL c C1 ? ? 1 +54985 C C1 B GOL FC . 0.5312 0.8615 0.9302 0.0827 0.0042 -0.0016 526 GOL c C1 ? ? 1 +54986 O O1 A GOL FC . 0.7831 1.1023 1.1755 0.0754 0.0032 -0.0021 526 GOL c O1 ? ? 1 +54987 O O1 B GOL FC . 0.5420 0.8596 0.9332 0.0751 0.0033 -0.0023 526 GOL c O1 ? ? 1 +54988 C C2 A GOL FC . 0.7748 1.0970 1.1652 0.0911 0.0061 -0.0035 526 GOL c C2 ? ? 1 +54989 C C2 B GOL FC . 0.5436 0.8653 0.9336 0.0909 0.0061 -0.0035 526 GOL c C2 ? ? 1 +54990 O O2 A GOL FC . 0.7902 1.0974 1.1705 0.0950 0.0058 -0.0031 526 GOL c O2 ? ? 1 +54991 O O2 B GOL FC . 0.5587 0.8644 0.9378 0.0948 0.0059 -0.0033 526 GOL c O2 ? ? 1 +54992 C C3 A GOL FC . 0.7614 1.0974 1.1601 0.0989 0.0076 -0.0033 526 GOL c C3 ? ? 1 +54993 C C3 B GOL FC . 0.5344 0.8703 0.9333 0.0986 0.0074 -0.0032 526 GOL c C3 ? ? 1 +54994 O O3 A GOL FC . 0.7716 1.0989 1.1613 0.1057 0.0097 -0.0055 526 GOL c O3 ? ? 1 +54995 O O3 B GOL FC . 0.5451 0.8742 0.9361 0.1047 0.0096 -0.0054 526 GOL c O3 ? ? 1 +54996 C C1 . BCR FD . 0.9365 1.0019 0.9879 0.1575 0.0563 -0.0898 101 BCR k C1 ? ? 1 +54997 C C2 . BCR FD . 0.9376 0.9992 0.9929 0.1627 0.0582 -0.0890 101 BCR k C2 ? ? 1 +54998 C C3 . BCR FD . 0.9294 1.0037 0.9946 0.1719 0.0651 -0.0864 101 BCR k C3 ? ? 1 +54999 C C4 . BCR FD . 0.9430 1.0132 0.9968 0.1795 0.0711 -0.0886 101 BCR k C4 ? ? 1 +55000 C C5 . BCR FD . 0.9454 1.0164 0.9925 0.1747 0.0698 -0.0897 101 BCR k C5 ? ? 1 +55001 C C6 . BCR FD . 0.9419 1.0118 0.9888 0.1648 0.0629 -0.0900 101 BCR k C6 ? ? 1 +55002 C C7 . BCR FD . 0.9443 1.0156 0.9852 0.1604 0.0612 -0.0909 101 BCR k C7 ? ? 1 +55003 C C8 . BCR FD . 0.9394 1.0226 0.9836 0.1626 0.0654 -0.0891 101 BCR k C8 ? ? 1 +55004 C C9 . BCR FD . 0.9429 1.0259 0.9801 0.1581 0.0630 -0.0900 101 BCR k C9 ? ? 1 +55005 C C10 . BCR FD . 0.9254 1.0257 0.9734 0.1570 0.0652 -0.0864 101 BCR k C10 ? ? 1 +55006 C C11 . BCR FD . 0.9212 1.0250 0.9663 0.1519 0.0623 -0.0862 101 BCR k C11 ? ? 1 +55007 C C33 . BCR FD . 0.9550 1.0276 0.9953 0.1822 0.0769 -0.0905 101 BCR k C33 ? ? 1 +55008 C C31 . BCR FD . 0.9546 1.0006 0.9891 0.1517 0.0507 -0.0944 101 BCR k C31 ? ? 1 +55009 C C32 . BCR FD . 0.9124 0.9962 0.9815 0.1499 0.0527 -0.0860 101 BCR k C32 ? ? 1 +55010 C C34 . BCR FD . 0.9642 1.0287 0.9820 0.1546 0.0582 -0.0947 101 BCR k C34 ? ? 1 +55011 C C12 . BCR FD . 0.9002 1.0215 0.9581 0.1496 0.0635 -0.0823 101 BCR k C12 ? ? 1 +55012 C C13 . BCR FD . 0.8931 1.0183 0.9487 0.1445 0.0604 -0.0817 101 BCR k C13 ? ? 1 +55013 C C14 . BCR FD . 0.8706 1.0141 0.9413 0.1421 0.0615 -0.0773 101 BCR k C14 ? ? 1 +55014 C C15 . BCR FD . 0.8629 1.0121 0.9332 0.1376 0.0589 -0.0760 101 BCR k C15 ? ? 1 +55015 C C16 . BCR FD . 0.8421 1.0083 0.9268 0.1349 0.0596 -0.0718 101 BCR k C16 ? ? 1 +55016 C C17 . BCR FD . 0.8370 1.0074 0.9197 0.1309 0.0571 -0.0706 101 BCR k C17 ? ? 1 +55017 C C18 . BCR FD . 0.8157 1.0022 0.9124 0.1275 0.0569 -0.0664 101 BCR k C18 ? ? 1 +55018 C C19 . BCR FD . 0.8143 1.0017 0.9055 0.1238 0.0537 -0.0659 101 BCR k C19 ? ? 1 +55019 C C20 . BCR FD . 0.7960 0.9969 0.8989 0.1195 0.0520 -0.0623 101 BCR k C20 ? ? 1 +55020 C C21 . BCR FD . 0.7957 0.9962 0.8923 0.1160 0.0479 -0.0620 101 BCR k C21 ? ? 1 +55021 C C22 . BCR FD . 0.7776 0.9904 0.8857 0.1109 0.0444 -0.0588 101 BCR k C22 ? ? 1 +55022 C C23 . BCR FD . 0.7819 0.9921 0.8811 0.1081 0.0401 -0.0590 101 BCR k C23 ? ? 1 +55023 C C24 . BCR FD . 0.7677 0.9871 0.8762 0.1025 0.0345 -0.0569 101 BCR k C24 ? ? 1 +55024 C C25 . BCR FD . 0.7724 0.9898 0.8724 0.0999 0.0298 -0.0570 101 BCR k C25 ? ? 1 +55025 C C26 . BCR FD . 0.7854 0.9969 0.8709 0.1036 0.0335 -0.0568 101 BCR k C26 ? ? 1 +55026 C C27 . BCR FD . 0.7934 1.0012 0.8686 0.1011 0.0274 -0.0573 101 BCR k C27 ? ? 1 +55027 C C28 . BCR FD . 0.7907 0.9965 0.8674 0.0950 0.0163 -0.0602 101 BCR k C28 ? ? 1 +55028 C C29 . BCR FD . 0.7689 0.9873 0.8668 0.0905 0.0139 -0.0583 101 BCR k C29 ? ? 1 +55029 C C30 . BCR FD . 0.7641 0.9844 0.8707 0.0929 0.0196 -0.0580 101 BCR k C30 ? ? 1 +55030 C C35 . BCR FD . 0.9113 1.0207 0.9478 0.1417 0.0555 -0.0859 101 BCR k C35 ? ? 1 +55031 C C36 . BCR FD . 0.7944 0.9969 0.9118 0.1278 0.0599 -0.0626 101 BCR k C36 ? ? 1 +55032 C C37 . BCR FD . 0.7543 0.9829 0.8842 0.1088 0.0454 -0.0551 101 BCR k C37 ? ? 1 +55033 C C38 . BCR FD . 0.7953 1.0033 0.8732 0.1105 0.0438 -0.0561 101 BCR k C38 ? ? 1 +55034 C C39 . BCR FD . 0.7411 0.9776 0.8703 0.0895 0.0196 -0.0542 101 BCR k C39 ? ? 1 +55035 C C40 . BCR FD . 0.7739 0.9826 0.8741 0.0912 0.0145 -0.0629 101 BCR k C40 ? ? 1 +55036 MG MG A CLA FE . 0.1445 0.7353 0.8222 -0.0162 -0.0226 0.0232 404 CLA A MG ? ? 1 +55037 MG MG B CLA FE . 0.1305 0.7223 0.8088 -0.0164 -0.0226 0.0233 404 CLA A MG ? ? 1 +55038 C CHA A CLA FE . 0.1375 0.7411 0.8238 -0.0082 -0.0198 0.0238 404 CLA A CHA ? ? 1 +55039 C CHA B CLA FE . 0.1253 0.7288 0.8115 -0.0081 -0.0197 0.0237 404 CLA A CHA ? ? 1 +55040 C CHB A CLA FE . 0.1465 0.7329 0.8254 -0.0159 -0.0240 0.0272 404 CLA A CHB ? ? 1 +55041 C CHB B CLA FE . 0.1331 0.7201 0.8124 -0.0160 -0.0241 0.0273 404 CLA A CHB ? ? 1 +55042 C CHC A CLA FE . 0.1402 0.7314 0.8188 -0.0259 -0.0263 0.0234 404 CLA A CHC ? ? 1 +55043 C CHC B CLA FE . 0.1269 0.7183 0.8056 -0.0259 -0.0263 0.0234 404 CLA A CHC ? ? 1 +55044 C CHD A CLA FE . 0.1389 0.7378 0.8160 -0.0176 -0.0208 0.0207 404 CLA A CHD ? ? 1 +55045 C CHD B CLA FE . 0.1252 0.7248 0.8027 -0.0176 -0.0208 0.0209 404 CLA A CHD ? ? 1 +55046 N NA A CLA FE . 0.1428 0.7370 0.8244 -0.0127 -0.0223 0.0252 404 CLA A NA ? ? 1 +55047 N NA B CLA FE . 0.1297 0.7243 0.8116 -0.0127 -0.0223 0.0252 404 CLA A NA ? ? 1 +55048 C C1A A CLA FE . 0.1403 0.7392 0.8248 -0.0095 -0.0214 0.0251 404 CLA A C1A ? ? 1 +55049 C C1A B CLA FE . 0.1278 0.7267 0.8123 -0.0094 -0.0214 0.0251 404 CLA A C1A ? ? 1 +55050 C C2A A CLA FE . 0.1415 0.7403 0.8272 -0.0066 -0.0219 0.0263 404 CLA A C2A ? ? 1 +55051 C C2A B CLA FE . 0.1294 0.7280 0.8150 -0.0065 -0.0219 0.0263 404 CLA A C2A ? ? 1 +55052 C C3A A CLA FE . 0.1462 0.7375 0.8279 -0.0086 -0.0229 0.0273 404 CLA A C3A ? ? 1 +55053 C C3A B CLA FE . 0.1339 0.7251 0.8155 -0.0086 -0.0229 0.0273 404 CLA A C3A ? ? 1 +55054 C C4A A CLA FE . 0.1450 0.7356 0.8257 -0.0128 -0.0232 0.0265 404 CLA A C4A ? ? 1 +55055 C C4A B CLA FE . 0.1321 0.7230 0.8130 -0.0128 -0.0232 0.0266 404 CLA A C4A ? ? 1 +55056 C CMA A CLA FE . 0.1556 0.7381 0.8322 -0.0061 -0.0226 0.0266 404 CLA A CMA ? ? 1 +55057 C CMA B CLA FE . 0.1433 0.7256 0.8198 -0.0062 -0.0226 0.0266 404 CLA A CMA ? ? 1 +55058 C CAA A CLA FE . 0.1344 0.7414 0.8254 -0.0068 -0.0224 0.0275 404 CLA A CAA ? ? 1 +55059 C CAA B CLA FE . 0.1228 0.7295 0.8137 -0.0065 -0.0224 0.0275 404 CLA A CAA ? ? 1 +55060 C CBA A CLA FE . 0.1365 0.7436 0.8284 -0.0040 -0.0234 0.0288 404 CLA A CBA ? ? 1 +55061 C CBA B CLA FE . 0.1257 0.7321 0.8173 -0.0033 -0.0233 0.0286 404 CLA A CBA ? ? 1 +55062 C CGA A CLA FE . 0.1369 0.7493 0.8324 0.0002 -0.0228 0.0278 404 CLA A CGA ? ? 1 +55063 C CGA B CLA FE . 0.1280 0.7380 0.8221 0.0012 -0.0226 0.0274 404 CLA A CGA ? ? 1 +55064 O O1A A CLA FE . 0.1324 0.7508 0.8315 0.0000 -0.0216 0.0267 404 CLA A O1A ? ? 1 +55065 O O1A B CLA FE . 0.1275 0.7399 0.8228 0.0019 -0.0210 0.0258 404 CLA A O1A ? ? 1 +55066 O O2A A CLA FE . 0.1430 0.7535 0.8379 0.0046 -0.0236 0.0281 404 CLA A O2A ? ? 1 +55067 O O2A B CLA FE . 0.1313 0.7421 0.8265 0.0050 -0.0237 0.0282 404 CLA A O2A ? ? 1 +55068 N NB A CLA FE . 0.1429 0.7323 0.8218 -0.0204 -0.0245 0.0250 404 CLA A NB ? ? 1 +55069 N NB B CLA FE . 0.1293 0.7193 0.8086 -0.0205 -0.0246 0.0251 404 CLA A NB ? ? 1 +55070 C C1B A CLA FE . 0.1446 0.7315 0.8235 -0.0200 -0.0247 0.0265 404 CLA A C1B ? ? 1 +55071 C C1B B CLA FE . 0.1312 0.7186 0.8104 -0.0201 -0.0247 0.0266 404 CLA A C1B ? ? 1 +55072 C C2B A CLA FE . 0.1441 0.7299 0.8236 -0.0236 -0.0256 0.0276 404 CLA A C2B ? ? 1 +55073 C C2B B CLA FE . 0.1311 0.7168 0.8106 -0.0238 -0.0256 0.0275 404 CLA A C2B ? ? 1 +55074 C C3B A CLA FE . 0.1420 0.7299 0.8221 -0.0265 -0.0263 0.0262 404 CLA A C3B ? ? 1 +55075 C C3B B CLA FE . 0.1290 0.7168 0.8091 -0.0267 -0.0264 0.0262 404 CLA A C3B ? ? 1 +55076 C C4B A CLA FE . 0.1417 0.7311 0.8208 -0.0242 -0.0257 0.0248 404 CLA A C4B ? ? 1 +55077 C C4B B CLA FE . 0.1284 0.7180 0.8076 -0.0243 -0.0257 0.0249 404 CLA A C4B ? ? 1 +55078 C CMB A CLA FE . 0.1466 0.7292 0.8256 -0.0241 -0.0256 0.0294 404 CLA A CMB ? ? 1 +55079 C CMB B CLA FE . 0.1339 0.7162 0.8127 -0.0241 -0.0255 0.0293 404 CLA A CMB ? ? 1 +55080 C CAB A CLA FE . 0.1411 0.7300 0.8228 -0.0307 -0.0274 0.0262 404 CLA A CAB ? ? 1 +55081 C CAB B CLA FE . 0.1285 0.7169 0.8099 -0.0309 -0.0275 0.0261 404 CLA A CAB ? ? 1 +55082 C CBB A CLA FE . 0.1411 0.7296 0.8241 -0.0323 -0.0273 0.0278 404 CLA A CBB ? ? 1 +55083 C CBB B CLA FE . 0.1291 0.7163 0.8115 -0.0331 -0.0275 0.0273 404 CLA A CBB ? ? 1 +55084 N NC A CLA FE . 0.1402 0.7346 0.8181 -0.0205 -0.0237 0.0224 404 CLA A NC ? ? 1 +55085 N NC B CLA FE . 0.1264 0.7215 0.8047 -0.0206 -0.0237 0.0225 404 CLA A NC ? ? 1 +55086 C C1C A CLA FE . 0.1392 0.7329 0.8171 -0.0240 -0.0254 0.0224 404 CLA A C1C ? ? 1 +55087 C C1C B CLA FE . 0.1258 0.7198 0.8038 -0.0240 -0.0254 0.0225 404 CLA A C1C ? ? 1 +55088 C C2C A CLA FE . 0.1368 0.7329 0.8142 -0.0258 -0.0262 0.0216 404 CLA A C2C ? ? 1 +55089 C C2C B CLA FE . 0.1237 0.7199 0.8011 -0.0258 -0.0262 0.0216 404 CLA A C2C ? ? 1 +55090 C C3C A CLA FE . 0.1368 0.7345 0.8131 -0.0234 -0.0245 0.0209 404 CLA A C3C ? ? 1 +55091 C C3C B CLA FE . 0.1233 0.7213 0.7997 -0.0234 -0.0245 0.0209 404 CLA A C3C ? ? 1 +55092 C C4C A CLA FE . 0.1392 0.7357 0.8160 -0.0204 -0.0230 0.0213 404 CLA A C4C ? ? 1 +55093 C C4C B CLA FE . 0.1253 0.7225 0.8026 -0.0205 -0.0230 0.0214 404 CLA A C4C ? ? 1 +55094 C CMC A CLA FE . 0.1358 0.7326 0.8138 -0.0293 -0.0283 0.0213 404 CLA A CMC ? ? 1 +55095 C CMC B CLA FE . 0.1230 0.7197 0.8008 -0.0293 -0.0283 0.0212 404 CLA A CMC ? ? 1 +55096 C CAC A CLA FE . 0.1370 0.7361 0.8111 -0.0235 -0.0242 0.0199 404 CLA A CAC ? ? 1 +55097 C CAC B CLA FE . 0.1233 0.7226 0.7975 -0.0237 -0.0243 0.0200 404 CLA A CAC ? ? 1 +55098 C CBC A CLA FE . 0.1309 0.7357 0.8078 -0.0252 -0.0249 0.0209 404 CLA A CBC ? ? 1 +55099 C CBC B CLA FE . 0.1169 0.7222 0.7942 -0.0251 -0.0248 0.0211 404 CLA A CBC ? ? 1 +55100 N ND A CLA FE . 0.1380 0.7383 0.8199 -0.0144 -0.0208 0.0228 404 CLA A ND ? ? 1 +55101 N ND B CLA FE . 0.1249 0.7257 0.8071 -0.0144 -0.0208 0.0229 404 CLA A ND ? ? 1 +55102 C C1D A CLA FE . 0.1383 0.7393 0.8183 -0.0146 -0.0197 0.0214 404 CLA A C1D ? ? 1 +55103 C C1D B CLA FE . 0.1248 0.7264 0.8052 -0.0147 -0.0196 0.0215 404 CLA A C1D ? ? 1 +55104 C C2D A CLA FE . 0.1366 0.7420 0.8189 -0.0118 -0.0173 0.0209 404 CLA A C2D ? ? 1 +55105 C C2D B CLA FE . 0.1236 0.7292 0.8060 -0.0118 -0.0173 0.0209 404 CLA A C2D ? ? 1 +55106 C C3D A CLA FE . 0.1359 0.7426 0.8212 -0.0094 -0.0176 0.0218 404 CLA A C3D ? ? 1 +55107 C C3D B CLA FE . 0.1234 0.7301 0.8087 -0.0094 -0.0175 0.0217 404 CLA A C3D ? ? 1 +55108 C C4D A CLA FE . 0.1374 0.7402 0.8215 -0.0108 -0.0194 0.0228 404 CLA A C4D ? ? 1 +55109 C C4D B CLA FE . 0.1248 0.7278 0.8089 -0.0107 -0.0194 0.0228 404 CLA A C4D ? ? 1 +55110 C CMD A CLA FE . 0.1370 0.7449 0.8188 -0.0111 -0.0150 0.0197 404 CLA A CMD ? ? 1 +55111 C CMD B CLA FE . 0.1240 0.7320 0.8059 -0.0110 -0.0150 0.0197 404 CLA A CMD ? ? 1 +55112 C CAD A CLA FE . 0.1357 0.7463 0.8248 -0.0058 -0.0165 0.0218 404 CLA A CAD ? ? 1 +55113 C CAD B CLA FE . 0.1236 0.7340 0.8125 -0.0057 -0.0164 0.0217 404 CLA A CAD ? ? 1 +55114 O OBD A CLA FE . 0.1342 0.7494 0.8257 -0.0041 -0.0144 0.0207 404 CLA A OBD ? ? 1 +55115 O OBD B CLA FE . 0.1222 0.7369 0.8134 -0.0039 -0.0143 0.0206 404 CLA A OBD ? ? 1 +55116 C CBD A CLA FE . 0.1368 0.7456 0.8265 -0.0047 -0.0182 0.0231 404 CLA A CBD ? ? 1 +55117 C CBD B CLA FE . 0.1251 0.7334 0.8145 -0.0045 -0.0181 0.0230 404 CLA A CBD ? ? 1 +55118 C CGD A CLA FE . 0.1430 0.7480 0.8311 -0.0004 -0.0176 0.0223 404 CLA A CGD ? ? 1 +55119 C CGD B CLA FE . 0.1316 0.7359 0.8191 -0.0003 -0.0174 0.0221 404 CLA A CGD ? ? 1 +55120 O O1D A CLA FE . 0.1503 0.7473 0.8335 0.0002 -0.0181 0.0221 404 CLA A O1D ? ? 1 +55121 O O1D B CLA FE . 0.1389 0.7355 0.8213 0.0004 -0.0174 0.0214 404 CLA A O1D ? ? 1 +55122 O O2D A CLA FE . 0.1412 0.7523 0.8339 0.0031 -0.0165 0.0217 404 CLA A O2D ? ? 1 +55123 O O2D B CLA FE . 0.1290 0.7394 0.8214 0.0032 -0.0168 0.0219 404 CLA A O2D ? ? 1 +55124 C CED A CLA FE . 0.1479 0.7559 0.8393 0.0076 -0.0160 0.0208 404 CLA A CED ? ? 1 +55125 C CED B CLA FE . 0.1355 0.7432 0.8267 0.0077 -0.0161 0.0208 404 CLA A CED ? ? 1 +55126 C C1 A CLA FE . 0.1437 0.7599 0.8427 0.0086 -0.0230 0.0268 404 CLA A C1 ? ? 1 +55127 C C1 B CLA FE . 0.1324 0.7485 0.8315 0.0092 -0.0232 0.0268 404 CLA A C1 ? ? 1 +55128 C C2 A CLA FE . 0.1389 0.7630 0.8433 0.0095 -0.0244 0.0274 404 CLA A C2 ? ? 1 +55129 C C2 B CLA FE . 0.1272 0.7518 0.8320 0.0099 -0.0244 0.0274 404 CLA A C2 ? ? 1 +55130 C C3 A CLA FE . 0.1328 0.7658 0.8431 0.0083 -0.0236 0.0266 404 CLA A C3 ? ? 1 +55131 C C3 B CLA FE . 0.1211 0.7543 0.8315 0.0083 -0.0236 0.0266 404 CLA A C3 ? ? 1 +55132 C C4 A CLA FE . 0.1300 0.7649 0.8411 0.0060 -0.0212 0.0252 404 CLA A C4 ? ? 1 +55133 C C4 B CLA FE . 0.1181 0.7531 0.8293 0.0058 -0.0213 0.0253 404 CLA A C4 ? ? 1 +55134 C C5 A CLA FE . 0.1302 0.7707 0.8456 0.0091 -0.0252 0.0270 404 CLA A C5 ? ? 1 +55135 C C5 B CLA FE . 0.1190 0.7598 0.8346 0.0089 -0.0252 0.0270 404 CLA A C5 ? ? 1 +55136 C C6 A CLA FE . 0.1308 0.7790 0.8524 0.0128 -0.0248 0.0251 404 CLA A C6 ? ? 1 +55137 C C6 B CLA FE . 0.1203 0.7686 0.8419 0.0127 -0.0248 0.0251 404 CLA A C6 ? ? 1 +55138 C C7 A CLA FE . 0.1289 0.7832 0.8545 0.0136 -0.0272 0.0257 404 CLA A C7 ? ? 1 +55139 C C7 B CLA FE . 0.1193 0.7735 0.8449 0.0138 -0.0273 0.0257 404 CLA A C7 ? ? 1 +55140 C C8 A CLA FE . 0.1305 0.7930 0.8628 0.0175 -0.0278 0.0239 404 CLA A C8 ? ? 1 +55141 C C8 B CLA FE . 0.1213 0.7841 0.8538 0.0176 -0.0278 0.0238 404 CLA A C8 ? ? 1 +55142 C C9 A CLA FE . 0.1352 0.7986 0.8692 0.0219 -0.0265 0.0219 404 CLA A C9 ? ? 1 +55143 C C9 B CLA FE . 0.1258 0.7898 0.8603 0.0219 -0.0264 0.0218 404 CLA A C9 ? ? 1 +55144 C C10 A CLA FE . 0.1266 0.7980 0.8650 0.0169 -0.0295 0.0236 404 CLA A C10 ? ? 1 +55145 C C10 B CLA FE . 0.1180 0.7896 0.8566 0.0169 -0.0294 0.0235 404 CLA A C10 ? ? 1 +55146 C C11 A CLA FE . 0.1225 0.7958 0.8614 0.0115 -0.0290 0.0245 404 CLA A C11 ? ? 1 +55147 C C11 B CLA FE . 0.1154 0.7880 0.8537 0.0116 -0.0292 0.0247 404 CLA A C11 ? ? 1 +55148 C C12 A CLA FE . 0.1219 0.8000 0.8636 0.0116 -0.0318 0.0249 404 CLA A C12 ? ? 1 +55149 C C12 B CLA FE . 0.1151 0.7944 0.8578 0.0118 -0.0316 0.0246 404 CLA A C12 ? ? 1 +55150 C C13 A CLA FE . 0.1186 0.7990 0.8611 0.0066 -0.0313 0.0256 404 CLA A C13 ? ? 1 +55151 C C13 B CLA FE . 0.1133 0.7941 0.8562 0.0068 -0.0313 0.0255 404 CLA A C13 ? ? 1 +55152 C C14 A CLA FE . 0.1140 0.8003 0.8615 0.0039 -0.0284 0.0240 404 CLA A C14 ? ? 1 +55153 C C14 B CLA FE . 0.1083 0.7947 0.8558 0.0036 -0.0284 0.0240 404 CLA A C14 ? ? 1 +55154 C C15 A CLA FE . 0.1203 0.8048 0.8650 0.0071 -0.0342 0.0259 404 CLA A C15 ? ? 1 +55155 C C15 B CLA FE . 0.1166 0.8018 0.8618 0.0074 -0.0342 0.0257 404 CLA A C15 ? ? 1 +55156 C C16 A CLA FE . 0.1276 0.8051 0.8658 0.0086 -0.0366 0.0281 404 CLA A C16 ? ? 1 +55157 C C16 B CLA FE . 0.1251 0.8029 0.8636 0.0087 -0.0366 0.0280 404 CLA A C16 ? ? 1 +55158 C C17 A CLA FE . 0.1272 0.8060 0.8649 0.0058 -0.0380 0.0292 404 CLA A C17 ? ? 1 +55159 C C17 B CLA FE . 0.1261 0.8053 0.8641 0.0061 -0.0380 0.0290 404 CLA A C17 ? ? 1 +55160 C C18 A CLA FE . 0.1305 0.8135 0.8703 0.0089 -0.0413 0.0286 404 CLA A C18 ? ? 1 +55161 C C18 B CLA FE . 0.1302 0.8138 0.8705 0.0090 -0.0413 0.0285 404 CLA A C18 ? ? 1 +55162 C C19 A CLA FE . 0.1347 0.8224 0.8789 0.0137 -0.0427 0.0267 404 CLA A C19 ? ? 1 +55163 C C19 B CLA FE . 0.1340 0.8237 0.8798 0.0134 -0.0427 0.0263 404 CLA A C19 ? ? 1 +55164 C C20 A CLA FE . 0.1322 0.8139 0.8690 0.0083 -0.0436 0.0300 404 CLA A C20 ? ? 1 +55165 C C20 B CLA FE . 0.1334 0.8145 0.8698 0.0083 -0.0435 0.0301 404 CLA A C20 ? ? 1 +55166 MG MG . CLA FF . 0.2688 0.8564 0.9826 -0.1221 0.0753 0.0558 610 CLA B MG ? ? 1 +55167 C CHA . CLA FF . 0.2171 0.8325 0.9457 -0.1155 0.0747 0.0538 610 CLA B CHA ? ? 1 +55168 C CHB . CLA FF . 0.2179 0.8311 0.9601 -0.1249 0.0639 0.0472 610 CLA B CHB ? ? 1 +55169 C CHC . CLA FF . 0.2646 0.8232 0.9651 -0.1318 0.0800 0.0572 610 CLA B CHC ? ? 1 +55170 C CHD . CLA FF . 0.2697 0.8308 0.9557 -0.1232 0.0920 0.0640 610 CLA B CHD ? ? 1 +55171 N NA . CLA FF . 0.2277 0.8382 0.9602 -0.1207 0.0703 0.0514 610 CLA B NA ? ? 1 +55172 C C1A . CLA FF . 0.2170 0.8360 0.9526 -0.1172 0.0698 0.0513 610 CLA B C1A ? ? 1 +55173 C C2A . CLA FF . 0.2064 0.8393 0.9534 -0.1150 0.0637 0.0481 610 CLA B C2A ? ? 1 +55174 C C3A . CLA FF . 0.2051 0.8383 0.9576 -0.1189 0.0613 0.0458 610 CLA B C3A ? ? 1 +55175 C C4A . CLA FF . 0.2174 0.8355 0.9594 -0.1219 0.0655 0.0483 610 CLA B C4A ? ? 1 +55176 C CMA . CLA FF . 0.2036 0.8495 0.9713 -0.1241 0.0630 0.0419 610 CLA B CMA ? ? 1 +55177 C CAA . CLA FF . 0.2052 0.8376 0.9465 -0.1080 0.0574 0.0493 610 CLA B CAA ? ? 1 +55178 C CBA . CLA FF . 0.1967 0.8429 0.9490 -0.1058 0.0518 0.0462 610 CLA B CBA ? ? 1 +55179 C CGA . CLA FF . 0.1972 0.8505 0.9513 -0.1023 0.0526 0.0465 610 CLA B CGA ? ? 1 +55180 O O1A . CLA FF . 0.2120 0.8597 0.9587 -0.1014 0.0567 0.0489 610 CLA B O1A ? ? 1 +55181 O O2A . CLA FF . 0.1905 0.8568 0.9543 -0.0999 0.0489 0.0440 610 CLA B O2A ? ? 1 +55182 N NB . CLA FF . 0.2440 0.8309 0.9652 -0.1281 0.0729 0.0526 610 CLA B NB ? ? 1 +55183 C C1B . CLA FF . 0.2299 0.8280 0.9623 -0.1281 0.0675 0.0492 610 CLA B C1B ? ? 1 +55184 C C2B . CLA FF . 0.2303 0.8249 0.9650 -0.1320 0.0657 0.0472 610 CLA B C2B ? ? 1 +55185 C C3B . CLA FF . 0.2465 0.8248 0.9690 -0.1342 0.0707 0.0502 610 CLA B C3B ? ? 1 +55186 C C4B . CLA FF . 0.2507 0.8251 0.9651 -0.1311 0.0745 0.0535 610 CLA B C4B ? ? 1 +55187 C CMB . CLA FF . 0.2212 0.8253 0.9669 -0.1335 0.0605 0.0433 610 CLA B CMB ? ? 1 +55188 C CAB . CLA FF . 0.2566 0.8250 0.9759 -0.1382 0.0709 0.0496 610 CLA B CAB ? ? 1 +55189 C CBB . CLA FF . 0.2706 0.8226 0.9769 -0.1387 0.0740 0.0525 610 CLA B CBB ? ? 1 +55190 N NC . CLA FF . 0.2651 0.8316 0.9637 -0.1268 0.0842 0.0596 610 CLA B NC ? ? 1 +55191 C C1C . CLA FF . 0.2701 0.8257 0.9637 -0.1299 0.0847 0.0599 610 CLA B C1C ? ? 1 +55192 C C2C . CLA FF . 0.2860 0.8253 0.9665 -0.1320 0.0910 0.0632 610 CLA B C2C ? ? 1 +55193 C C3C . CLA FF . 0.2891 0.8290 0.9651 -0.1296 0.0947 0.0653 610 CLA B C3C ? ? 1 +55194 C C4C . CLA FF . 0.2727 0.8293 0.9600 -0.1262 0.0897 0.0628 610 CLA B C4C ? ? 1 +55195 C CMC . CLA FF . 0.2995 0.8243 0.9725 -0.1359 0.0933 0.0641 610 CLA B CMC ? ? 1 +55196 C CAC . CLA FF . 0.3063 0.8328 0.9690 -0.1304 0.1020 0.0689 610 CLA B CAC ? ? 1 +55197 C CBC . CLA FF . 0.3145 0.8271 0.9605 -0.1239 0.0988 0.0725 610 CLA B CBC ? ? 1 +55198 N ND . CLA FF . 0.2458 0.8339 0.9545 -0.1201 0.0818 0.0584 610 CLA B ND ? ? 1 +55199 C C1D . CLA FF . 0.2548 0.8321 0.9526 -0.1210 0.0887 0.0615 610 CLA B C1D ? ? 1 +55200 C C2D . CLA FF . 0.2490 0.8322 0.9466 -0.1176 0.0902 0.0621 610 CLA B C2D ? ? 1 +55201 C C3D . CLA FF . 0.2328 0.8317 0.9437 -0.1158 0.0846 0.0589 610 CLA B C3D ? ? 1 +55202 C C4D . CLA FF . 0.2312 0.8326 0.9485 -0.1179 0.0807 0.0568 610 CLA B C4D ? ? 1 +55203 C CMD . CLA FF . 0.2582 0.8354 0.9463 -0.1162 0.0959 0.0649 610 CLA B CMD ? ? 1 +55204 C CAD . CLA FF . 0.2205 0.8334 0.9403 -0.1126 0.0822 0.0570 610 CLA B CAD ? ? 1 +55205 O OBD . CLA FF . 0.2202 0.8347 0.9372 -0.1103 0.0852 0.0581 610 CLA B OBD ? ? 1 +55206 C CBD . CLA FF . 0.2097 0.8336 0.9412 -0.1124 0.0757 0.0537 610 CLA B CBD ? ? 1 +55207 C CGD . CLA FF . 0.2035 0.8422 0.9506 -0.1159 0.0776 0.0502 610 CLA B CGD ? ? 1 +55208 O O1D . CLA FF . 0.1932 0.8434 0.9481 -0.1129 0.0740 0.0482 610 CLA B O1D ? ? 1 +55209 O O2D . CLA FF . 0.2110 0.8509 0.9647 -0.1230 0.0837 0.0488 610 CLA B O2D ? ? 1 +55210 C CED . CLA FF . 0.2054 0.8607 0.9749 -0.1258 0.0846 0.0451 610 CLA B CED ? ? 1 +55211 C C1 . CLA FF . 0.1892 0.8609 0.9541 -0.0975 0.0513 0.0443 610 CLA B C1 ? ? 1 +55212 C C2 . CLA FF . 0.1911 0.8697 0.9647 -0.1019 0.0574 0.0427 610 CLA B C2 ? ? 1 +55213 C C3 . CLA FF . 0.1849 0.8763 0.9689 -0.1009 0.0571 0.0403 610 CLA B C3 ? ? 1 +55214 C C4 . CLA FF . 0.1747 0.8734 0.9616 -0.0955 0.0507 0.0391 610 CLA B C4 ? ? 1 +55215 C C5 . CLA FF . 0.1891 0.8880 0.9823 -0.1051 0.0634 0.0386 610 CLA B C5 ? ? 1 +55216 C C6 . CLA FF . 0.1899 0.8913 0.9808 -0.1016 0.0664 0.0396 610 CLA B C6 ? ? 1 +55217 C C7 . CLA FF . 0.1995 0.8872 0.9752 -0.1000 0.0696 0.0436 610 CLA B C7 ? ? 1 +55218 C C8 . CLA FF . 0.2127 0.8939 0.9844 -0.1045 0.0779 0.0452 610 CLA B C8 ? ? 1 +55219 C C9 . CLA FF . 0.2163 0.9054 0.9992 -0.1102 0.0841 0.0429 610 CLA B C9 ? ? 1 +55220 C C10 . CLA FF . 0.2248 0.8906 0.9799 -0.1026 0.0798 0.0492 610 CLA B C10 ? ? 1 +55221 C C11 . CLA FF . 0.2232 0.8804 0.9692 -0.0993 0.0734 0.0509 610 CLA B C11 ? ? 1 +55222 C C12 . CLA FF . 0.2380 0.8795 0.9687 -0.0993 0.0767 0.0546 610 CLA B C12 ? ? 1 +55223 C C13 . CLA FF . 0.2390 0.8717 0.9588 -0.0944 0.0709 0.0568 610 CLA B C13 ? ? 1 +55224 C C14 . CLA FF . 0.2296 0.8660 0.9551 -0.0942 0.0643 0.0550 610 CLA B C14 ? ? 1 +55225 C C15 . CLA FF . 0.2582 0.8753 0.9644 -0.0955 0.0743 0.0600 610 CLA B C15 ? ? 1 +55226 C C16 . CLA FF . 0.2696 0.8782 0.9623 -0.0900 0.0729 0.0628 610 CLA B C16 ? ? 1 +55227 C C17 . CLA FF . 0.2800 0.8755 0.9605 -0.0879 0.0701 0.0653 610 CLA B C17 ? ? 1 +55228 C C18 . CLA FF . 0.2975 0.8799 0.9693 -0.0916 0.0752 0.0675 610 CLA B C18 ? ? 1 +55229 C C19 . CLA FF . 0.3127 0.8817 0.9685 -0.0890 0.0783 0.0710 610 CLA B C19 ? ? 1 +55230 C C20 . CLA FF . 0.3021 0.8843 0.9805 -0.0980 0.0782 0.0662 610 CLA B C20 ? ? 1 +55231 MG MG . CLA FG . 0.4015 0.8576 0.9679 0.0590 0.0150 -0.0192 505 CLA C MG ? ? 1 +55232 C CHA . CLA FG . 0.4077 0.8486 0.9570 0.0456 0.0101 -0.0214 505 CLA C CHA ? ? 1 +55233 C CHB . CLA FG . 0.3714 0.8586 0.9573 0.0520 0.0168 -0.0158 505 CLA C CHB ? ? 1 +55234 C CHC . CLA FG . 0.3850 0.8574 0.9714 0.0680 0.0136 -0.0149 505 CLA C CHC ? ? 1 +55235 C CHD . CLA FG . 0.4249 0.8469 0.9727 0.0606 0.0095 -0.0202 505 CLA C CHD ? ? 1 +55236 N NA . CLA FG . 0.3930 0.8561 0.9608 0.0505 0.0136 -0.0183 505 CLA C NA ? ? 1 +55237 C C1A . CLA FG . 0.3995 0.8553 0.9596 0.0462 0.0119 -0.0194 505 CLA C C1A ? ? 1 +55238 C C2A . CLA FG . 0.3966 0.8597 0.9588 0.0417 0.0118 -0.0188 505 CLA C C2A ? ? 1 +55239 C C3A . CLA FG . 0.3816 0.8584 0.9544 0.0441 0.0147 -0.0173 505 CLA C C3A ? ? 1 +55240 C C4A . CLA FG . 0.3814 0.8572 0.9573 0.0491 0.0150 -0.0170 505 CLA C C4A ? ? 1 +55241 C CMA . CLA FG . 0.3855 0.8662 0.9572 0.0466 0.0195 -0.0188 505 CLA C CMA ? ? 1 +55242 C CAA . CLA FG . 0.3993 0.8621 0.9622 0.0351 0.0071 -0.0173 505 CLA C CAA ? ? 1 +55243 C CBA . CLA FG . 0.4027 0.8695 0.9733 0.0346 0.0049 -0.0148 505 CLA C CBA ? ? 1 +55244 C CGA . CLA FG . 0.4150 0.8800 0.9861 0.0287 0.0006 -0.0134 505 CLA C CGA ? ? 1 +55245 O O1A . CLA FG . 0.4243 0.8860 0.9910 0.0244 -0.0015 -0.0144 505 CLA C O1A ? ? 1 +55246 O O2A . CLA FG . 0.4358 0.9032 1.0129 0.0283 -0.0012 -0.0111 505 CLA C O2A ? ? 1 +55247 N NB . CLA FG . 0.3825 0.8587 0.9658 0.0594 0.0151 -0.0160 505 CLA C NB ? ? 1 +55248 C C1B . CLA FG . 0.3701 0.8582 0.9604 0.0567 0.0163 -0.0151 505 CLA C C1B ? ? 1 +55249 C C2B . CLA FG . 0.3579 0.8594 0.9601 0.0581 0.0165 -0.0132 505 CLA C C2B ? ? 1 +55250 C C3B . CLA FG . 0.3663 0.8629 0.9682 0.0629 0.0152 -0.0130 505 CLA C C3B ? ? 1 +55251 C C4B . CLA FG . 0.3780 0.8594 0.9682 0.0636 0.0148 -0.0148 505 CLA C C4B ? ? 1 +55252 C CMB . CLA FG . 0.3434 0.8586 0.9546 0.0553 0.0177 -0.0120 505 CLA C CMB ? ? 1 +55253 C CAB . CLA FG . 0.3633 0.8676 0.9738 0.0674 0.0147 -0.0118 505 CLA C CAB ? ? 1 +55254 C CBB . CLA FG . 0.3554 0.8731 0.9754 0.0693 0.0171 -0.0120 505 CLA C CBB ? ? 1 +55255 N NC . CLA FG . 0.4058 0.8550 0.9729 0.0632 0.0122 -0.0176 505 CLA C NC ? ? 1 +55256 C C1C . CLA FG . 0.3977 0.8542 0.9728 0.0672 0.0121 -0.0160 505 CLA C C1C ? ? 1 +55257 C C2C . CLA FG . 0.4028 0.8502 0.9747 0.0703 0.0101 -0.0152 505 CLA C C2C ? ? 1 +55258 C C3C . CLA FG . 0.4152 0.8474 0.9755 0.0679 0.0092 -0.0168 505 CLA C C3C ? ? 1 +55259 C C4C . CLA FG . 0.4150 0.8499 0.9736 0.0640 0.0105 -0.0183 505 CLA C C4C ? ? 1 +55260 C CMC . CLA FG . 0.3983 0.8502 0.9764 0.0749 0.0090 -0.0133 505 CLA C CMC ? ? 1 +55261 C CAC . CLA FG . 0.4292 0.8459 0.9808 0.0691 0.0074 -0.0169 505 CLA C CAC ? ? 1 +55262 C CBC . CLA FG . 0.4265 0.8395 0.9775 0.0623 0.0037 -0.0148 505 CLA C CBC ? ? 1 +55263 N ND . CLA FG . 0.4097 0.8480 0.9641 0.0532 0.0101 -0.0198 505 CLA C ND ? ? 1 +55264 C C1D . CLA FG . 0.4217 0.8456 0.9674 0.0556 0.0094 -0.0212 505 CLA C C1D ? ? 1 +55265 C C2D . CLA FG . 0.4334 0.8450 0.9684 0.0518 0.0078 -0.0234 505 CLA C C2D ? ? 1 +55266 C C3D . CLA FG . 0.4266 0.8463 0.9638 0.0480 0.0081 -0.0235 505 CLA C C3D ? ? 1 +55267 C C4D . CLA FG . 0.4136 0.8471 0.9609 0.0494 0.0098 -0.0216 505 CLA C C4D ? ? 1 +55268 C CMD . CLA FG . 0.4478 0.8428 0.9720 0.0515 0.0063 -0.0254 505 CLA C CMD ? ? 1 +55269 C CAD . CLA FG . 0.4281 0.8457 0.9599 0.0432 0.0070 -0.0250 505 CLA C CAD ? ? 1 +55270 O OBD . CLA FG . 0.4376 0.8435 0.9597 0.0407 0.0051 -0.0272 505 CLA C OBD ? ? 1 +55271 C CBD . CLA FG . 0.4141 0.8454 0.9533 0.0418 0.0084 -0.0236 505 CLA C CBD ? ? 1 +55272 C CGD . CLA FG . 0.4139 0.8442 0.9474 0.0438 0.0117 -0.0258 505 CLA C CGD ? ? 1 +55273 O O1D . CLA FG . 0.4053 0.8407 0.9389 0.0410 0.0120 -0.0257 505 CLA C O1D ? ? 1 +55274 O O2D . CLA FG . 0.4227 0.8451 0.9493 0.0494 0.0149 -0.0283 505 CLA C O2D ? ? 1 +55275 C CED . CLA FG . 0.4286 0.8507 0.9499 0.0512 0.0185 -0.0303 505 CLA C CED ? ? 1 +55276 C C1 . CLA FG . 0.4575 0.9231 1.0354 0.0230 -0.0049 -0.0098 505 CLA C C1 ? ? 1 +55277 C C2 . CLA FG . 0.4724 0.9471 1.0596 0.0230 -0.0054 -0.0068 505 CLA C C2 ? ? 1 +55278 C C3 . CLA FG . 0.5249 0.9957 1.1129 0.0242 -0.0065 -0.0054 505 CLA C C3 ? ? 1 +55279 C C4 . CLA FG . 0.5429 0.9995 1.1223 0.0252 -0.0071 -0.0068 505 CLA C C4 ? ? 1 +55280 C C5 . CLA FG . 0.5664 1.0465 1.1631 0.0244 -0.0071 -0.0025 505 CLA C C5 ? ? 1 +55281 C C6 . CLA FG . 0.6291 1.1058 1.2261 0.0294 -0.0067 -0.0016 505 CLA C C6 ? ? 1 +55282 C C7 . CLA FG . 0.6733 1.1577 1.2777 0.0280 -0.0083 0.0014 505 CLA C C7 ? ? 1 +55283 C C8 . CLA FG . 0.7204 1.2004 1.3244 0.0318 -0.0089 0.0029 505 CLA C C8 ? ? 1 +55284 C C9 . CLA FG . 0.7538 1.2189 1.3488 0.0338 -0.0091 0.0021 505 CLA C C9 ? ? 1 +55285 C C10 . CLA FG . 0.7458 1.2359 1.3579 0.0346 -0.0091 0.0051 505 CLA C C10 ? ? 1 +55286 C C11 . CLA FG . 0.7793 1.2698 1.3924 0.0422 -0.0081 0.0050 505 CLA C C11 ? ? 1 +55287 C C12 . CLA FG . 0.7778 1.2817 1.4006 0.0434 -0.0086 0.0067 505 CLA C C12 ? ? 1 +55288 C C13 . CLA FG . 0.7982 1.3032 1.4229 0.0506 -0.0087 0.0071 505 CLA C C13 ? ? 1 +55289 C C14 . CLA FG . 0.8079 1.3100 1.4300 0.0564 -0.0063 0.0044 505 CLA C C14 ? ? 1 +55290 C C15 . CLA FG . 0.8144 1.3096 1.4340 0.0509 -0.0110 0.0091 505 CLA C C15 ? ? 1 +55291 C C16 . CLA FG . 0.8032 1.3069 1.4294 0.0521 -0.0128 0.0115 505 CLA C C16 ? ? 1 +55292 C C17 . CLA FG . 0.7694 1.2647 1.3909 0.0498 -0.0150 0.0141 505 CLA C C17 ? ? 1 +55293 C C18 . CLA FG . 0.7285 1.2281 1.3534 0.0539 -0.0168 0.0161 505 CLA C C18 ? ? 1 +55294 C C19 . CLA FG . 0.7168 1.2286 1.3498 0.0596 -0.0171 0.0156 505 CLA C C19 ? ? 1 +55295 C C20 . CLA FG . 0.7352 1.2262 1.3549 0.0514 -0.0186 0.0188 505 CLA C C20 ? ? 1 +55296 O O1 A LHG FH . 0.4435 0.8799 1.0134 0.1344 -0.0469 0.0341 407 LHG D O1 ? ? 1 +55297 O O1 B LHG FH . 0.4443 0.8823 1.0151 0.1361 -0.0476 0.0339 407 LHG D O1 ? ? 1 +55298 C C1 A LHG FH . 0.4296 0.8827 1.0130 0.1346 -0.0460 0.0307 407 LHG D C1 ? ? 1 +55299 C C1 B LHG FH . 0.4295 0.8838 1.0137 0.1352 -0.0463 0.0305 407 LHG D C1 ? ? 1 +55300 C C2 A LHG FH . 0.4113 0.8830 1.0073 0.1305 -0.0472 0.0303 407 LHG D C2 ? ? 1 +55301 C C2 B LHG FH . 0.4106 0.8834 1.0073 0.1308 -0.0473 0.0301 407 LHG D C2 ? ? 1 +55302 O O2 A LHG FH . 0.4118 0.8889 1.0093 0.1368 -0.0516 0.0310 407 LHG D O2 ? ? 1 +55303 O O2 B LHG FH . 0.4097 0.8883 1.0083 0.1370 -0.0517 0.0308 407 LHG D O2 ? ? 1 +55304 C C3 A LHG FH . 0.4037 0.8738 0.9986 0.1201 -0.0454 0.0324 407 LHG D C3 ? ? 1 +55305 C C3 B LHG FH . 0.4028 0.8736 0.9982 0.1204 -0.0454 0.0323 407 LHG D C3 ? ? 1 +55306 O O3 A LHG FH . 0.4169 0.8716 0.9992 0.1195 -0.0462 0.0359 407 LHG D O3 ? ? 1 +55307 O O3 B LHG FH . 0.4162 0.8712 0.9988 0.1197 -0.0462 0.0357 407 LHG D O3 ? ? 1 +55308 P P A LHG FH . 0.4165 0.8758 0.9991 0.1196 -0.0495 0.0382 407 LHG D P ? ? 1 +55309 P P B LHG FH . 0.4165 0.8753 0.9989 0.1199 -0.0494 0.0381 407 LHG D P ? ? 1 +55310 O O4 A LHG FH . 0.4332 0.8737 1.0009 0.1195 -0.0496 0.0417 407 LHG D O4 ? ? 1 +55311 O O4 B LHG FH . 0.4350 0.8746 1.0023 0.1195 -0.0493 0.0416 407 LHG D O4 ? ? 1 +55312 O O5 A LHG FH . 0.4156 0.8887 1.0069 0.1275 -0.0533 0.0363 407 LHG D O5 ? ? 1 +55313 O O5 B LHG FH . 0.4177 0.8900 1.0084 0.1277 -0.0533 0.0364 407 LHG D O5 ? ? 1 +55314 O O6 A LHG FH . 0.4082 0.8790 0.9998 0.1096 -0.0476 0.0382 407 LHG D O6 ? ? 1 +55315 O O6 B LHG FH . 0.4126 0.8833 1.0042 0.1100 -0.0477 0.0382 407 LHG D O6 ? ? 1 +55316 C C4 A LHG FH . 0.4168 0.8782 1.0027 0.1009 -0.0445 0.0400 407 LHG D C4 ? ? 1 +55317 C C4 B LHG FH . 0.4252 0.8868 1.0112 0.1011 -0.0445 0.0400 407 LHG D C4 ? ? 1 +55318 C C5 A LHG FH . 0.4065 0.8809 1.0033 0.0933 -0.0423 0.0384 407 LHG D C5 ? ? 1 +55319 C C5 B LHG FH . 0.4184 0.8932 1.0154 0.0936 -0.0424 0.0383 407 LHG D C5 ? ? 1 +55320 C C6 A LHG FH . 0.3909 0.8833 0.9994 0.0932 -0.0445 0.0376 407 LHG D C6 ? ? 1 +55321 C C6 B LHG FH . 0.4016 0.8943 1.0102 0.0936 -0.0446 0.0375 407 LHG D C6 ? ? 1 +55322 O O7 A LHG FH . 0.4181 0.8949 1.0188 0.0942 -0.0404 0.0356 407 LHG D O7 ? ? 1 +55323 O O7 B LHG FH . 0.4382 0.9155 1.0392 0.0946 -0.0405 0.0355 407 LHG D O7 ? ? 1 +55324 C C7 A LHG FH . 0.4440 0.9071 1.0365 0.0921 -0.0378 0.0356 407 LHG D C7 ? ? 1 +55325 C C7 B LHG FH . 0.4759 0.9404 1.0695 0.0918 -0.0378 0.0354 407 LHG D C7 ? ? 1 +55326 O O9 A LHG FH . 0.4505 0.9000 1.0333 0.0891 -0.0370 0.0379 407 LHG D O9 ? ? 1 +55327 O O9 B LHG FH . 0.4783 0.9299 1.0627 0.0881 -0.0368 0.0377 407 LHG D O9 ? ? 1 +55328 C C8 A LHG FH . 0.4561 0.9226 1.0528 0.0939 -0.0361 0.0325 407 LHG D C8 ? ? 1 +55329 C C8 B LHG FH . 0.5013 0.9687 1.0987 0.0936 -0.0360 0.0323 407 LHG D C8 ? ? 1 +55330 C C9 A LHG FH . 0.4767 0.9318 1.0671 0.0885 -0.0329 0.0321 407 LHG D C9 ? ? 1 +55331 C C9 B LHG FH . 0.5413 0.9945 1.1303 0.0897 -0.0331 0.0322 407 LHG D C9 ? ? 1 +55332 C C10 A LHG FH . 0.4982 0.9542 1.0905 0.0916 -0.0313 0.0290 407 LHG D C10 ? ? 1 +55333 C C10 B LHG FH . 0.5845 1.0396 1.1762 0.0917 -0.0312 0.0290 407 LHG D C10 ? ? 1 +55334 O O8 A LHG FH . 0.3750 0.8771 0.9918 0.0855 -0.0421 0.0365 407 LHG D O8 ? ? 1 +55335 O O8 B LHG FH . 0.3838 0.8862 1.0008 0.0858 -0.0422 0.0364 407 LHG D O8 ? ? 1 +55336 C C23 A LHG FH . 0.3661 0.8814 0.9913 0.0830 -0.0433 0.0364 407 LHG D C23 ? ? 1 +55337 C C23 B LHG FH . 0.3767 0.8926 1.0023 0.0834 -0.0434 0.0363 407 LHG D C23 ? ? 1 +55338 O O10 A LHG FH . 0.3645 0.8847 0.9913 0.0872 -0.0464 0.0369 407 LHG D O10 ? ? 1 +55339 O O10 B LHG FH . 0.3726 0.8942 1.0005 0.0876 -0.0465 0.0366 407 LHG D O10 ? ? 1 +55340 C C24 A LHG FH . 0.3578 0.8796 0.9890 0.0745 -0.0407 0.0359 407 LHG D C24 ? ? 1 +55341 C C24 B LHG FH . 0.3713 0.8935 1.0027 0.0747 -0.0407 0.0358 407 LHG D C24 ? ? 1 +55342 C C11 A LHG FH . 0.5274 0.9717 1.1131 0.0865 -0.0285 0.0284 407 LHG D C11 ? ? 1 +55343 C C11 B LHG FH . 0.6429 1.0858 1.2276 0.0862 -0.0285 0.0286 407 LHG D C11 ? ? 1 +55344 C C12 A LHG FH . 0.5446 0.9917 1.1328 0.0766 -0.0271 0.0291 407 LHG D C12 ? ? 1 +55345 C C12 B LHG FH . 0.6940 1.1423 1.2830 0.0765 -0.0271 0.0290 407 LHG D C12 ? ? 1 +55346 C C13 A LHG FH . 0.5707 1.0151 1.1584 0.0718 -0.0246 0.0269 407 LHG D C13 ? ? 1 +55347 C C13 B LHG FH . 0.7633 1.2066 1.3503 0.0715 -0.0245 0.0271 407 LHG D C13 ? ? 1 +55348 C C14 A LHG FH . 0.5846 1.0342 1.1764 0.0625 -0.0236 0.0273 407 LHG D C14 ? ? 1 +55349 C C14 B LHG FH . 0.8149 1.2637 1.4062 0.0622 -0.0236 0.0274 407 LHG D C14 ? ? 1 +55350 C C15 A LHG FH . 0.6038 1.0518 1.1955 0.0581 -0.0215 0.0249 407 LHG D C15 ? ? 1 +55351 C C15 B LHG FH . 0.8661 1.3134 1.4574 0.0578 -0.0215 0.0250 407 LHG D C15 ? ? 1 +55352 C C16 A LHG FH . 0.6214 1.0635 1.2100 0.0494 -0.0207 0.0257 407 LHG D C16 ? ? 1 +55353 C C16 B LHG FH . 0.9090 1.3511 1.4976 0.0490 -0.0207 0.0258 407 LHG D C16 ? ? 1 +55354 C C17 A LHG FH . 0.6341 1.0786 1.2249 0.0446 -0.0193 0.0232 407 LHG D C17 ? ? 1 +55355 C C17 B LHG FH . 0.9461 1.3905 1.5368 0.0443 -0.0193 0.0233 407 LHG D C17 ? ? 1 +55356 C C18 A LHG FH . 0.6326 1.0925 1.2333 0.0404 -0.0194 0.0229 407 LHG D C18 ? ? 1 +55357 C C18 B LHG FH . 0.9637 1.4241 1.5646 0.0408 -0.0194 0.0228 407 LHG D C18 ? ? 1 +55358 C C19 A LHG FH . 0.6425 1.1042 1.2445 0.0359 -0.0182 0.0205 407 LHG D C19 ? ? 1 +55359 C C19 B LHG FH . 0.9924 1.4543 1.5945 0.0361 -0.0182 0.0204 407 LHG D C19 ? ? 1 +55360 C C20 A LHG FH . 0.6415 1.1095 1.2480 0.0282 -0.0185 0.0211 407 LHG D C20 ? ? 1 +55361 C C20 B LHG FH . 1.0045 1.4734 1.6115 0.0286 -0.0185 0.0211 407 LHG D C20 ? ? 1 +55362 C C21 A LHG FH . 0.6495 1.1187 1.2565 0.0241 -0.0177 0.0187 407 LHG D C21 ? ? 1 +55363 C C21 B LHG FH . 1.0323 1.5029 1.6402 0.0244 -0.0177 0.0187 407 LHG D C21 ? ? 1 +55364 C C22 A LHG FH . 0.6491 1.1232 1.2598 0.0167 -0.0183 0.0192 407 LHG D C22 ? ? 1 +55365 C C22 B LHG FH . 1.0483 1.5239 1.6599 0.0170 -0.0183 0.0194 407 LHG D C22 ? ? 1 +55366 C C25 A LHG FH . 0.3487 0.8870 0.9923 0.0743 -0.0405 0.0332 407 LHG D C25 ? ? 1 +55367 C C25 B LHG FH . 0.3645 0.9030 1.0083 0.0743 -0.0404 0.0331 407 LHG D C25 ? ? 1 +55368 C C26 A LHG FH . 0.3421 0.8865 0.9909 0.0660 -0.0381 0.0329 407 LHG D C26 ? ? 1 +55369 C C26 B LHG FH . 0.3615 0.9058 1.0102 0.0659 -0.0381 0.0329 407 LHG D C26 ? ? 1 +55370 C C27 A LHG FH . 0.3537 0.8886 0.9973 0.0615 -0.0351 0.0327 407 LHG D C27 ? ? 1 +55371 C C27 B LHG FH . 0.3785 0.9133 1.0220 0.0614 -0.0351 0.0327 407 LHG D C27 ? ? 1 +55372 C C28 A LHG FH . 0.3623 0.8983 1.0081 0.0641 -0.0334 0.0300 407 LHG D C28 ? ? 1 +55373 C C28 B LHG FH . 0.3917 0.9278 1.0375 0.0637 -0.0333 0.0300 407 LHG D C28 ? ? 1 +55374 C C29 A LHG FH . 0.3809 0.9029 1.0179 0.0625 -0.0313 0.0300 407 LHG D C29 ? ? 1 +55375 C C29 B LHG FH . 0.4174 0.9391 1.0542 0.0628 -0.0314 0.0300 407 LHG D C29 ? ? 1 +55376 C C30 A LHG FH . 0.4006 0.9180 1.0350 0.0691 -0.0309 0.0281 407 LHG D C30 ? ? 1 +55377 C C30 B LHG FH . 0.4458 0.9632 1.0801 0.0698 -0.0311 0.0282 407 LHG D C30 ? ? 1 +55378 C C31 A LHG FH . 0.4249 0.9254 1.0483 0.0688 -0.0296 0.0286 407 LHG D C31 ? ? 1 +55379 C C31 B LHG FH . 0.4793 0.9803 1.1030 0.0695 -0.0297 0.0284 407 LHG D C31 ? ? 1 +55380 C C32 A LHG FH . 0.4359 0.9343 1.0590 0.0648 -0.0269 0.0266 407 LHG D C32 ? ? 1 +55381 C C32 B LHG FH . 0.5001 0.9996 1.1239 0.0643 -0.0269 0.0267 407 LHG D C32 ? ? 1 +55382 C C33 A LHG FH . 0.4412 0.9497 1.0716 0.0680 -0.0257 0.0237 407 LHG D C33 ? ? 1 +55383 C C33 B LHG FH . 0.5137 1.0230 1.1446 0.0669 -0.0256 0.0237 407 LHG D C33 ? ? 1 +55384 C C34 A LHG FH . 0.4536 0.9581 1.0818 0.0647 -0.0231 0.0217 407 LHG D C34 ? ? 1 +55385 C C34 B LHG FH . 0.5369 1.0402 1.1643 0.0639 -0.0230 0.0218 407 LHG D C34 ? ? 1 +55386 C C35 A LHG FH . 0.4791 0.9720 1.0998 0.0698 -0.0222 0.0203 407 LHG D C35 ? ? 1 +55387 C C35 B LHG FH . 0.5747 1.0686 1.1960 0.0698 -0.0221 0.0202 407 LHG D C35 ? ? 1 +55388 C C36 A LHG FH . 0.5012 0.9827 1.1139 0.0748 -0.0239 0.0221 407 LHG D C36 ? ? 1 +55389 C C36 B LHG FH . 0.6095 1.0919 1.2228 0.0752 -0.0238 0.0218 407 LHG D C36 ? ? 1 +55390 C C37 A LHG FH . 0.5243 0.9939 1.1293 0.0805 -0.0230 0.0207 407 LHG D C37 ? ? 1 +55391 C C37 B LHG FH . 0.6398 1.1108 1.2457 0.0806 -0.0228 0.0203 407 LHG D C37 ? ? 1 +55392 C C38 A LHG FH . 0.5374 1.0004 1.1374 0.0884 -0.0251 0.0218 407 LHG D C38 ? ? 1 +55393 C C38 B LHG FH . 0.6501 1.1155 1.2518 0.0891 -0.0247 0.0210 407 LHG D C38 ? ? 1 +55394 FE FE . HEC FI . 0.4204 0.8187 0.8074 0.0213 0.0057 -0.0257 201 HEC V FE ? ? 1 +55395 C CHA . HEC FI . 0.4337 0.8234 0.7987 0.0220 0.0033 -0.0220 201 HEC V CHA ? ? 1 +55396 C CHB . HEC FI . 0.4439 0.8234 0.8089 0.0219 -0.0119 -0.0335 201 HEC V CHB ? ? 1 +55397 C CHC . HEC FI . 0.4151 0.8160 0.8169 0.0230 0.0106 -0.0296 201 HEC V CHC ? ? 1 +55398 C CHD . HEC FI . 0.3914 0.8130 0.8066 0.0188 0.0202 -0.0186 201 HEC V CHD ? ? 1 +55399 N NA . HEC FI . 0.4353 0.8226 0.8040 0.0220 -0.0031 -0.0274 201 HEC V NA ? ? 1 +55400 C C1A . HEC FI . 0.4395 0.8245 0.8008 0.0224 -0.0033 -0.0255 201 HEC V C1A ? ? 1 +55401 C C2A . HEC FI . 0.4512 0.8279 0.7996 0.0234 -0.0108 -0.0276 201 HEC V C2A ? ? 1 +55402 C C3A . HEC FI . 0.4541 0.8283 0.8030 0.0231 -0.0155 -0.0312 201 HEC V C3A ? ? 1 +55403 C C4A . HEC FI . 0.4434 0.8242 0.8049 0.0223 -0.0099 -0.0306 201 HEC V C4A ? ? 1 +55404 C CMA . HEC FI . 0.4653 0.8320 0.8043 0.0236 -0.0241 -0.0348 201 HEC V CMA ? ? 1 +55405 C CAA . HEC FI . 0.4591 0.8312 0.7967 0.0245 -0.0136 -0.0263 201 HEC V CAA ? ? 1 +55406 C CBA . HEC FI . 0.4442 0.8270 0.7954 0.0217 -0.0198 -0.0249 201 HEC V CBA ? ? 1 +55407 C CGA . HEC FI . 0.4519 0.8308 0.7936 0.0229 -0.0251 -0.0244 201 HEC V CGA ? ? 1 +55408 O O1A . HEC FI . 0.4691 0.8368 0.7935 0.0257 -0.0233 -0.0247 201 HEC V O1A ? ? 1 +55409 O O2A . HEC FI . 0.4419 0.8284 0.7927 0.0211 -0.0311 -0.0237 201 HEC V O2A ? ? 1 +55410 N NB . HEC FI . 0.4279 0.8190 0.8117 0.0221 0.0007 -0.0305 201 HEC V NB ? ? 1 +55411 C C1B . HEC FI . 0.4376 0.8213 0.8123 0.0220 -0.0064 -0.0333 201 HEC V C1B ? ? 1 +55412 C C2B . HEC FI . 0.4424 0.8215 0.8165 0.0223 -0.0084 -0.0366 201 HEC V C2B ? ? 1 +55413 C C3B . HEC FI . 0.4341 0.8191 0.8186 0.0229 -0.0016 -0.0352 201 HEC V C3B ? ? 1 +55414 C C4B . HEC FI . 0.4255 0.8180 0.8155 0.0226 0.0035 -0.0316 201 HEC V C4B ? ? 1 +55415 C CMB . HEC FI . 0.4538 0.8244 0.8188 0.0221 -0.0158 -0.0404 201 HEC V CMB ? ? 1 +55416 C CAB . HEC FI . 0.4349 0.8182 0.8232 0.0238 -0.0001 -0.0373 201 HEC V CAB ? ? 1 +55417 C CBB . HEC FI . 0.4535 0.8238 0.8256 0.0271 0.0022 -0.0404 201 HEC V CBB ? ? 1 +55418 N NC . HEC FI . 0.4053 0.8152 0.8110 0.0210 0.0140 -0.0243 201 HEC V NC ? ? 1 +55419 C C1C . HEC FI . 0.4045 0.8144 0.8146 0.0219 0.0150 -0.0261 201 HEC V C1C ? ? 1 +55420 C C2C . HEC FI . 0.3924 0.8121 0.8166 0.0218 0.0205 -0.0244 201 HEC V C2C ? ? 1 +55421 C C3C . HEC FI . 0.3852 0.8113 0.8134 0.0204 0.0233 -0.0213 201 HEC V C3C ? ? 1 +55422 C C4C . HEC FI . 0.3938 0.8129 0.8100 0.0200 0.0189 -0.0214 201 HEC V C4C ? ? 1 +55423 C CMC . HEC FI . 0.3896 0.8113 0.8211 0.0232 0.0225 -0.0258 201 HEC V CMC ? ? 1 +55424 C CAC . HEC FI . 0.3716 0.8091 0.8138 0.0195 0.0287 -0.0187 201 HEC V CAC ? ? 1 +55425 C CBC . HEC FI . 0.3743 0.8128 0.8181 0.0219 0.0370 -0.0193 201 HEC V CBC ? ? 1 +55426 N ND . HEC FI . 0.4134 0.8180 0.8032 0.0202 0.0110 -0.0210 201 HEC V ND ? ? 1 +55427 C C1D . HEC FI . 0.4020 0.8157 0.8034 0.0191 0.0170 -0.0185 201 HEC V C1D ? ? 1 +55428 C C2D . HEC FI . 0.4012 0.8161 0.8004 0.0184 0.0200 -0.0156 201 HEC V C2D ? ? 1 +55429 C C3D . HEC FI . 0.4146 0.8194 0.7984 0.0196 0.0150 -0.0165 201 HEC V C3D ? ? 1 +55430 C C4D . HEC FI . 0.4207 0.8202 0.8000 0.0207 0.0098 -0.0199 201 HEC V C4D ? ? 1 +55431 C CMD . HEC FI . 0.3907 0.8143 0.8002 0.0169 0.0263 -0.0126 201 HEC V CMD ? ? 1 +55432 C CAD . HEC FI . 0.4222 0.8223 0.7959 0.0199 0.0154 -0.0145 201 HEC V CAD ? ? 1 +55433 C CBD . HEC FI . 0.4398 0.8288 0.7977 0.0226 0.0223 -0.0152 201 HEC V CBD ? ? 1 +55434 C CGD . HEC FI . 0.4496 0.8320 0.7954 0.0232 0.0242 -0.0130 201 HEC V CGD ? ? 1 +55435 O O1D . HEC FI . 0.4610 0.8348 0.7935 0.0247 0.0188 -0.0138 201 HEC V O1D ? ? 1 +55436 O O2D . HEC FI . 0.4475 0.8335 0.7973 0.0221 0.0314 -0.0106 201 HEC V O2D ? ? 1 +55437 MG MG . CLA FJ . 0.1448 0.8577 0.9071 -0.0843 -0.0564 -0.0170 604 CLA b MG ? ? 1 +55438 C CHA . CLA FJ . 0.1502 0.8813 0.9381 -0.0962 -0.0523 -0.0251 604 CLA b CHA ? ? 1 +55439 C CHB . CLA FJ . 0.1347 0.8486 0.8996 -0.0802 -0.0477 -0.0096 604 CLA b CHB ? ? 1 +55440 C CHC . CLA FJ . 0.1389 0.8440 0.8835 -0.0703 -0.0628 -0.0103 604 CLA b CHC ? ? 1 +55441 C CHD . CLA FJ . 0.1541 0.8741 0.9183 -0.0853 -0.0699 -0.0261 604 CLA b CHD ? ? 1 +55442 N NA . CLA FJ . 0.1437 0.8647 0.9176 -0.0871 -0.0512 -0.0171 604 CLA b NA ? ? 1 +55443 C C1A . CLA FJ . 0.1495 0.8762 0.9321 -0.0921 -0.0495 -0.0203 604 CLA b C1A ? ? 1 +55444 C C2A . CLA FJ . 0.1525 0.8803 0.9391 -0.0940 -0.0438 -0.0189 604 CLA b C2A ? ? 1 +55445 C C3A . CLA FJ . 0.1422 0.8662 0.9226 -0.0884 -0.0433 -0.0144 604 CLA b C3A ? ? 1 +55446 C C4A . CLA FJ . 0.1408 0.8602 0.9134 -0.0849 -0.0477 -0.0136 604 CLA b C4A ? ? 1 +55447 C CMA . CLA FJ . 0.1440 0.8593 0.9185 -0.0899 -0.0375 -0.0114 604 CLA b CMA ? ? 1 +55448 C CAA . CLA FJ . 0.1615 0.9019 0.9614 -0.0955 -0.0436 -0.0219 604 CLA b CAA ? ? 1 +55449 C CBA . CLA FJ . 0.1697 0.9191 0.9744 -0.0905 -0.0495 -0.0229 604 CLA b CBA ? ? 1 +55450 C CGA . CLA FJ . 0.1810 0.9422 0.9980 -0.0908 -0.0489 -0.0251 604 CLA b CGA ? ? 1 +55451 O O1A . CLA FJ . 0.1823 0.9450 1.0037 -0.0938 -0.0437 -0.0251 604 CLA b O1A ? ? 1 +55452 O O2A . CLA FJ . 0.2097 0.9804 1.0327 -0.0868 -0.0548 -0.0271 604 CLA b O2A ? ? 1 +55453 N NB . CLA FJ . 0.1368 0.8476 0.8937 -0.0767 -0.0557 -0.0112 604 CLA b NB ? ? 1 +55454 C C1B . CLA FJ . 0.1333 0.8440 0.8914 -0.0759 -0.0518 -0.0085 604 CLA b C1B ? ? 1 +55455 C C2B . CLA FJ . 0.1313 0.8391 0.8840 -0.0705 -0.0520 -0.0046 604 CLA b C2B ? ? 1 +55456 C C3B . CLA FJ . 0.1343 0.8399 0.8814 -0.0678 -0.0563 -0.0049 604 CLA b C3B ? ? 1 +55457 C C4B . CLA FJ . 0.1364 0.8434 0.8860 -0.0718 -0.0582 -0.0089 604 CLA b C4B ? ? 1 +55458 C CMB . CLA FJ . 0.1260 0.8335 0.8790 -0.0685 -0.0487 -0.0014 604 CLA b CMB ? ? 1 +55459 C CAB . CLA FJ . 0.1359 0.8373 0.8754 -0.0627 -0.0581 -0.0020 604 CLA b CAB ? ? 1 +55460 C CBB . CLA FJ . 0.1342 0.8315 0.8696 -0.0603 -0.0554 0.0017 604 CLA b CBB ? ? 1 +55461 N NC . CLA FJ . 0.1449 0.8578 0.9010 -0.0788 -0.0644 -0.0178 604 CLA b NC ? ? 1 +55462 C C1C . CLA FJ . 0.1426 0.8510 0.8907 -0.0734 -0.0660 -0.0147 604 CLA b C1C ? ? 1 +55463 C C2C . CLA FJ . 0.1444 0.8522 0.8878 -0.0705 -0.0715 -0.0160 604 CLA b C2C ? ? 1 +55464 C C3C . CLA FJ . 0.1480 0.8603 0.8972 -0.0748 -0.0739 -0.0208 604 CLA b C3C ? ? 1 +55465 C C4C . CLA FJ . 0.1483 0.8630 0.9046 -0.0798 -0.0691 -0.0214 604 CLA b C4C ? ? 1 +55466 C CMC . CLA FJ . 0.1442 0.8479 0.8791 -0.0647 -0.0740 -0.0133 604 CLA b CMC ? ? 1 +55467 C CAC . CLA FJ . 0.1522 0.8657 0.8996 -0.0744 -0.0797 -0.0242 604 CLA b CAC ? ? 1 +55468 C CBC . CLA FJ . 0.1586 0.8607 0.8942 -0.0746 -0.0793 -0.0234 604 CLA b CBC ? ? 1 +55469 N ND . CLA FJ . 0.1476 0.8726 0.9222 -0.0883 -0.0611 -0.0237 604 CLA b ND ? ? 1 +55470 C C1D . CLA FJ . 0.1534 0.8779 0.9263 -0.0897 -0.0656 -0.0271 604 CLA b C1D ? ? 1 +55471 C C2D . CLA FJ . 0.1589 0.8900 0.9412 -0.0957 -0.0659 -0.0320 604 CLA b C2D ? ? 1 +55472 C C3D . CLA FJ . 0.1563 0.8899 0.9447 -0.0983 -0.0602 -0.0309 604 CLA b C3D ? ? 1 +55473 C C4D . CLA FJ . 0.1510 0.8798 0.9335 -0.0941 -0.0577 -0.0262 604 CLA b C4D ? ? 1 +55474 C CMD . CLA FJ . 0.1662 0.9007 0.9520 -0.0992 -0.0701 -0.0371 604 CLA b CMD ? ? 1 +55475 C CAD . CLA FJ . 0.1568 0.8959 0.9551 -0.1041 -0.0560 -0.0332 604 CLA b CAD ? ? 1 +55476 O OBD . CLA FJ . 0.1624 0.9070 0.9685 -0.1094 -0.0565 -0.0378 604 CLA b OBD ? ? 1 +55477 C CBD . CLA FJ . 0.1526 0.8902 0.9506 -0.1027 -0.0507 -0.0294 604 CLA b CBD ? ? 1 +55478 C CGD . CLA FJ . 0.1554 0.8866 0.9520 -0.1086 -0.0445 -0.0293 604 CLA b CGD ? ? 1 +55479 O O1D . CLA FJ . 0.1537 0.8906 0.9587 -0.1121 -0.0409 -0.0307 604 CLA b O1D ? ? 1 +55480 O O2D . CLA FJ . 0.1587 0.8767 0.9437 -0.1101 -0.0427 -0.0276 604 CLA b O2D ? ? 1 +55481 C CED . CLA FJ . 0.1649 0.8768 0.9488 -0.1163 -0.0375 -0.0284 604 CLA b CED ? ? 1 +55482 C C1 . CLA FJ . 0.2347 1.0169 1.0688 -0.0853 -0.0550 -0.0288 604 CLA b C1 ? ? 1 +55483 C C2 . CLA FJ . 0.2621 1.0530 1.1017 -0.0827 -0.0620 -0.0322 604 CLA b C2 ? ? 1 +55484 C C3 . CLA FJ . 0.3328 1.1350 1.1848 -0.0855 -0.0629 -0.0368 604 CLA b C3 ? ? 1 +55485 C C4 . CLA FJ . 0.3542 1.1606 1.2148 -0.0913 -0.0566 -0.0384 604 CLA b C4 ? ? 1 +55486 C C5 . CLA FJ . 0.3890 1.2009 1.2472 -0.0827 -0.0704 -0.0406 604 CLA b C5 ? ? 1 +55487 C C6 . CLA FJ . 0.4006 1.2196 1.2632 -0.0763 -0.0723 -0.0396 604 CLA b C6 ? ? 1 +55488 C C7 . CLA FJ . 0.4097 1.2407 1.2815 -0.0738 -0.0791 -0.0441 604 CLA b C7 ? ? 1 +55489 C C8 . CLA FJ . 0.4087 1.2525 1.2942 -0.0730 -0.0777 -0.0463 604 CLA b C8 ? ? 1 +55490 C C9 . CLA FJ . 0.4111 1.2569 1.3031 -0.0781 -0.0698 -0.0462 604 CLA b C9 ? ? 1 +55491 C C10 . CLA FJ . 0.4088 1.2632 1.3009 -0.0676 -0.0851 -0.0493 604 CLA b C10 ? ? 1 +55492 C C11 . CLA FJ . 0.4236 1.2937 1.3325 -0.0686 -0.0852 -0.0539 604 CLA b C11 ? ? 1 +55493 C C12 . CLA FJ . 0.4471 1.3262 1.3610 -0.0648 -0.0940 -0.0580 604 CLA b C12 ? ? 1 +55494 C C13 . CLA FJ . 0.4667 1.3603 1.3941 -0.0610 -0.0957 -0.0608 604 CLA b C13 ? ? 1 +55495 C C14 . CLA FJ . 0.4835 1.3736 1.4040 -0.0522 -0.0982 -0.0570 604 CLA b C14 ? ? 1 +55496 C C15 . CLA FJ . 0.4950 1.4015 1.4334 -0.0614 -0.1025 -0.0670 604 CLA b C15 ? ? 1 +55497 C C16 . CLA FJ . 0.5094 1.4323 1.4649 -0.0604 -0.1023 -0.0710 604 CLA b C16 ? ? 1 +55498 C C17 . CLA FJ . 0.5079 1.4333 1.4711 -0.0669 -0.0930 -0.0711 604 CLA b C17 ? ? 1 +55499 C C18 . CLA FJ . 0.4996 1.4396 1.4805 -0.0735 -0.0915 -0.0774 604 CLA b C18 ? ? 1 +55500 C C19 . CLA FJ . 0.4924 1.4411 1.4807 -0.0760 -0.0983 -0.0833 604 CLA b C19 ? ? 1 +55501 C C20 . CLA FJ . 0.4877 1.4351 1.4797 -0.0766 -0.0836 -0.0782 604 CLA b C20 ? ? 1 +55502 C C1B . LMT FK . 1.3145 1.8603 1.7783 0.0197 0.2270 0.0484 501 LMT c C1B ? ? 1 +55503 C C2B . LMT FK . 1.2992 1.8263 1.7395 0.0215 0.2212 0.0506 501 LMT c C2B ? ? 1 +55504 C C3B . LMT FK . 1.2661 1.7924 1.7089 0.0192 0.2101 0.0521 501 LMT c C3B ? ? 1 +55505 C C4B . LMT FK . 1.2652 1.7995 1.7219 0.0129 0.2126 0.0539 501 LMT c C4B ? ? 1 +55506 C C5B . LMT FK . 1.2681 1.8207 1.7475 0.0112 0.2187 0.0515 501 LMT c C5B ? ? 1 +55507 C C6B . LMT FK . 1.2507 1.8108 1.7432 0.0045 0.2228 0.0530 501 LMT c C6B ? ? 1 +55508 O O1B . LMT FK . 1.3184 1.8750 1.7954 0.0226 0.2196 0.0454 501 LMT c O1B ? ? 1 +55509 O O2B . LMT FK . 1.2939 1.8147 1.7230 0.0276 0.2181 0.0485 501 LMT c O2B ? ? 1 +55510 O O3B . LMT FK . 1.2185 1.7274 1.6392 0.0206 0.2060 0.0543 501 LMT c O3B ? ? 1 +55511 O O4' . LMT FK . 1.1652 1.7006 1.6263 0.0114 0.2018 0.0546 501 LMT c O4' ? ? 1 +55512 O O5B . LMT FK . 1.3009 1.8531 1.7762 0.0133 0.2293 0.0502 501 LMT c O5B ? ? 1 +55513 O O6B . LMT FK . 1.2706 1.8447 1.7796 0.0029 0.2318 0.0510 501 LMT c O6B ? ? 1 +55514 C C1' . LMT FK . 1.2968 1.8847 1.8058 0.0351 0.2236 0.0348 501 LMT c C1' ? ? 1 +55515 C C2' . LMT FK . 1.3184 1.8886 1.8037 0.0358 0.2286 0.0369 501 LMT c C2' ? ? 1 +55516 C C3' . LMT FK . 1.2999 1.8586 1.7735 0.0322 0.2230 0.0404 501 LMT c C3' ? ? 1 +55517 C C4' . LMT FK . 1.2908 1.8588 1.7793 0.0256 0.2248 0.0421 501 LMT c C4' ? ? 1 +55518 C C5' . LMT FK . 1.2682 1.8531 1.7793 0.0253 0.2188 0.0398 501 LMT c C5' ? ? 1 +55519 C C6' . LMT FK . 1.2472 1.8426 1.7747 0.0190 0.2194 0.0410 501 LMT c C6' ? ? 1 +55520 O O1' . LMT FK . 1.2394 1.8387 1.7599 0.0382 0.2301 0.0318 501 LMT c O1' ? ? 1 +55521 O O2' . LMT FK . 1.3735 1.9348 1.8450 0.0420 0.2264 0.0351 501 LMT c O2' ? ? 1 +55522 O O3' . LMT FK . 1.2804 1.8226 1.7316 0.0330 0.2279 0.0423 501 LMT c O3' ? ? 1 +55523 O O5' . LMT FK . 1.2986 1.8945 1.8205 0.0288 0.2242 0.0365 501 LMT c O5' ? ? 1 +55524 O O6' . LMT FK . 1.2461 1.8405 1.7726 0.0148 0.2302 0.0427 501 LMT c O6' ? ? 1 +55525 C C1 . LMT FK . 1.2147 1.8263 1.7509 0.0410 0.2235 0.0290 501 LMT c C1 ? ? 1 +55526 C C2 . LMT FK . 1.2294 1.8509 1.7746 0.0453 0.2306 0.0257 501 LMT c C2 ? ? 1 +55527 C C3 . LMT FK . 1.2607 1.8778 1.7991 0.0525 0.2256 0.0232 501 LMT c C3 ? ? 1 +55528 C C4 . LMT FK . 1.2853 1.9175 1.8428 0.0555 0.2211 0.0201 501 LMT c C4 ? ? 1 +55529 C C5 . LMT FK . 1.3264 1.9528 1.8785 0.0594 0.2099 0.0192 501 LMT c C5 ? ? 1 +55530 C C6 . LMT FK . 1.3665 2.0002 1.9263 0.0660 0.2092 0.0155 501 LMT c C6 ? ? 1 +55531 C C7 . LMT FK . 1.3802 2.0325 1.9637 0.0656 0.2072 0.0138 501 LMT c C7 ? ? 1 +55532 C C8 . LMT FK . 1.3895 2.0477 1.9794 0.0726 0.2049 0.0103 501 LMT c C8 ? ? 1 +55533 C C9 . LMT FK . 1.3470 2.0249 1.9608 0.0730 0.2054 0.0082 501 LMT c C9 ? ? 1 +55534 C C10 . LMT FK . 1.3048 1.9868 1.9242 0.0795 0.1992 0.0054 501 LMT c C10 ? ? 1 +55535 C C11 . LMT FK . 1.2477 1.9490 1.8904 0.0802 0.1984 0.0032 501 LMT c C11 ? ? 1 +55536 C C12 . LMT FK . 1.2036 1.9079 1.8536 0.0788 0.1875 0.0037 501 LMT c C12 ? ? 1 +55537 C C1 . GOL FL . 0.9665 1.1474 1.2352 0.0986 0.0153 -0.0289 527 GOL c C1 ? ? 1 +55538 O O1 . GOL FL . 0.9904 1.1583 1.2465 0.0981 0.0160 -0.0326 527 GOL c O1 ? ? 1 +55539 C C2 . GOL FL . 0.9548 1.1473 1.2303 0.1091 0.0173 -0.0274 527 GOL c C2 ? ? 1 +55540 O O2 . GOL FL . 0.9644 1.1431 1.2274 0.1176 0.0195 -0.0294 527 GOL c O2 ? ? 1 +55541 C C3 . GOL FL . 0.9378 1.1388 1.2227 0.1115 0.0165 -0.0239 527 GOL c C3 ? ? 1 +55542 O O3 . GOL FL . 0.9076 1.1309 1.2083 0.1133 0.0168 -0.0221 527 GOL c O3 ? ? 1 +55543 C C1 A GOL FM . 1.1719 1.6875 1.6292 0.0216 -0.0365 0.0524 801 GOL l C1 ? ? 1 +55544 C C1 B GOL FM . 1.0359 1.5502 1.4916 0.0217 -0.0352 0.0529 801 GOL l C1 ? ? 1 +55545 O O1 A GOL FM . 1.1957 1.7032 1.6410 0.0227 -0.0318 0.0531 801 GOL l O1 ? ? 1 +55546 O O1 B GOL FM . 1.0511 1.5580 1.4964 0.0222 -0.0296 0.0539 801 GOL l O1 ? ? 1 +55547 C C2 A GOL FM . 1.1417 1.6680 1.6134 0.0185 -0.0378 0.0497 801 GOL l C2 ? ? 1 +55548 C C2 B GOL FM . 0.9996 1.5244 1.4691 0.0189 -0.0377 0.0498 801 GOL l C2 ? ? 1 +55549 O O2 A GOL FM . 1.1090 1.6426 1.5908 0.0180 -0.0433 0.0485 801 GOL l O2 ? ? 1 +55550 O O2 B GOL FM . 0.9637 1.4949 1.4413 0.0190 -0.0442 0.0484 801 GOL l O2 ? ? 1 +55551 C C3 A GOL FM . 1.1214 1.6521 1.6019 0.0150 -0.0307 0.0508 801 GOL l C3 ? ? 1 +55552 C C3 B GOL FM . 0.9691 1.5001 1.4498 0.0152 -0.0315 0.0506 801 GOL l C3 ? ? 1 +55553 O O3 A GOL FM . 1.0856 1.6231 1.5748 0.0129 -0.0314 0.0482 801 GOL l O3 ? ? 1 +55554 O O3 B GOL FM . 0.9033 1.4420 1.3940 0.0130 -0.0334 0.0477 801 GOL l O3 ? ? 1 +55555 MG MG A CLA FN . 0.1243 0.7699 0.8386 -0.0134 -0.0227 0.0297 405 CLA A MG ? ? 1 +55556 MG MG B CLA FN . 0.1407 0.7857 0.8547 -0.0130 -0.0229 0.0298 405 CLA A MG ? ? 1 +55557 C CHA A CLA FN . 0.1180 0.7584 0.8285 -0.0182 -0.0258 0.0333 405 CLA A CHA ? ? 1 +55558 C CHA B CLA FN . 0.1244 0.7647 0.8348 -0.0182 -0.0259 0.0334 405 CLA A CHA ? ? 1 +55559 C CHB A CLA FN . 0.1164 0.7731 0.8392 -0.0095 -0.0256 0.0305 405 CLA A CHB ? ? 1 +55560 C CHB B CLA FN . 0.1244 0.7810 0.8472 -0.0094 -0.0256 0.0305 405 CLA A CHB ? ? 1 +55561 C CHC A CLA FN . 0.1291 0.7766 0.8463 -0.0055 -0.0197 0.0262 405 CLA A CHC ? ? 1 +55562 C CHC B CLA FN . 0.1359 0.7825 0.8526 -0.0051 -0.0200 0.0263 405 CLA A CHC ? ? 1 +55563 C CHD A CLA FN . 0.1311 0.7609 0.8341 -0.0153 -0.0220 0.0285 405 CLA A CHD ? ? 1 +55564 C CHD B CLA FN . 0.1363 0.7657 0.8391 -0.0153 -0.0221 0.0286 405 CLA A CHD ? ? 1 +55565 N NA A CLA FN . 0.1198 0.7671 0.8354 -0.0136 -0.0251 0.0317 405 CLA A NA ? ? 1 +55566 N NA B CLA FN . 0.1300 0.7769 0.8454 -0.0135 -0.0253 0.0318 405 CLA A NA ? ? 1 +55567 C C1A A CLA FN . 0.1185 0.7634 0.8322 -0.0156 -0.0261 0.0331 405 CLA A C1A ? ? 1 +55568 C C1A B CLA FN . 0.1267 0.7713 0.8401 -0.0156 -0.0261 0.0332 405 CLA A C1A ? ? 1 +55569 C C2A A CLA FN . 0.1171 0.7649 0.8324 -0.0156 -0.0274 0.0342 405 CLA A C2A ? ? 1 +55570 C C2A B CLA FN . 0.1255 0.7731 0.8407 -0.0156 -0.0274 0.0343 405 CLA A C2A ? ? 1 +55571 C C3A A CLA FN . 0.1147 0.7683 0.8341 -0.0134 -0.0273 0.0332 405 CLA A C3A ? ? 1 +55572 C C3A B CLA FN . 0.1234 0.7768 0.8427 -0.0133 -0.0274 0.0332 405 CLA A C3A ? ? 1 +55573 C C4A A CLA FN . 0.1177 0.7701 0.8370 -0.0120 -0.0259 0.0317 405 CLA A C4A ? ? 1 +55574 C C4A B CLA FN . 0.1270 0.7792 0.8462 -0.0119 -0.0260 0.0318 405 CLA A C4A ? ? 1 +55575 C CMA A CLA FN . 0.1091 0.7686 0.8320 -0.0155 -0.0268 0.0327 405 CLA A CMA ? ? 1 +55576 C CMA B CLA FN . 0.1174 0.7769 0.8403 -0.0153 -0.0269 0.0328 405 CLA A CMA ? ? 1 +55577 C CAA A CLA FN . 0.1234 0.7665 0.8357 -0.0144 -0.0285 0.0356 405 CLA A CAA ? ? 1 +55578 C CAA B CLA FN . 0.1319 0.7747 0.8440 -0.0145 -0.0285 0.0357 405 CLA A CAA ? ? 1 +55579 C CBA A CLA FN . 0.1314 0.7704 0.8417 -0.0114 -0.0284 0.0350 405 CLA A CBA ? ? 1 +55580 C CBA B CLA FN . 0.1401 0.7789 0.8503 -0.0113 -0.0285 0.0352 405 CLA A CBA ? ? 1 +55581 C CGA A CLA FN . 0.1395 0.7740 0.8467 -0.0092 -0.0296 0.0363 405 CLA A CGA ? ? 1 +55582 C CGA B CLA FN . 0.1492 0.7829 0.8559 -0.0093 -0.0297 0.0366 405 CLA A CGA ? ? 1 +55583 O O1A A CLA FN . 0.1405 0.7744 0.8465 -0.0100 -0.0304 0.0377 405 CLA A O1A ? ? 1 +55584 O O1A B CLA FN . 0.1499 0.7825 0.8551 -0.0103 -0.0304 0.0380 405 CLA A O1A ? ? 1 +55585 O O2A A CLA FN . 0.1501 0.7799 0.8548 -0.0059 -0.0296 0.0359 405 CLA A O2A ? ? 1 +55586 O O2A B CLA FN . 0.1603 0.7897 0.8647 -0.0060 -0.0297 0.0360 405 CLA A O2A ? ? 1 +55587 N NB A CLA FN . 0.1236 0.7746 0.8428 -0.0086 -0.0227 0.0287 405 CLA A NB ? ? 1 +55588 N NB B CLA FN . 0.1336 0.7842 0.8526 -0.0082 -0.0229 0.0288 405 CLA A NB ? ? 1 +55589 C C1B A CLA FN . 0.1198 0.7758 0.8428 -0.0075 -0.0240 0.0290 405 CLA A C1B ? ? 1 +55590 C C1B B CLA FN . 0.1279 0.7837 0.8508 -0.0073 -0.0241 0.0290 405 CLA A C1B ? ? 1 +55591 C C2B A CLA FN . 0.1209 0.7815 0.8480 -0.0039 -0.0241 0.0277 405 CLA A C2B ? ? 1 +55592 C C2B B CLA FN . 0.1283 0.7888 0.8554 -0.0037 -0.0241 0.0277 405 CLA A C2B ? ? 1 +55593 C C3B A CLA FN . 0.1248 0.7826 0.8503 -0.0026 -0.0221 0.0265 405 CLA A C3B ? ? 1 +55594 C C3B B CLA FN . 0.1323 0.7899 0.8578 -0.0024 -0.0222 0.0265 405 CLA A C3B ? ? 1 +55595 C C4B A CLA FN . 0.1251 0.7772 0.8457 -0.0058 -0.0214 0.0272 405 CLA A C4B ? ? 1 +55596 C C4B B CLA FN . 0.1328 0.7843 0.8531 -0.0054 -0.0216 0.0272 405 CLA A C4B ? ? 1 +55597 C CMB A CLA FN . 0.1185 0.7851 0.8502 -0.0018 -0.0258 0.0275 405 CLA A CMB ? ? 1 +55598 C CMB B CLA FN . 0.1247 0.7915 0.8566 -0.0019 -0.0258 0.0274 405 CLA A CMB ? ? 1 +55599 C CAB A CLA FN . 0.1277 0.7887 0.8565 0.0011 -0.0211 0.0247 405 CLA A CAB ? ? 1 +55600 C CAB B CLA FN . 0.1351 0.7963 0.8641 0.0013 -0.0212 0.0247 405 CLA A CAB ? ? 1 +55601 C CBB A CLA FN . 0.1304 0.7895 0.8579 0.0017 -0.0188 0.0234 405 CLA A CBB ? ? 1 +55602 C CBB B CLA FN . 0.1370 0.7972 0.8655 0.0021 -0.0188 0.0233 405 CLA A CBB ? ? 1 +55603 N NC A CLA FN . 0.1287 0.7682 0.8391 -0.0109 -0.0212 0.0281 405 CLA A NC ? ? 1 +55604 N NC B CLA FN . 0.1363 0.7751 0.8464 -0.0108 -0.0214 0.0282 405 CLA A NC ? ? 1 +55605 C C1C A CLA FN . 0.1318 0.7726 0.8436 -0.0079 -0.0199 0.0267 405 CLA A C1C ? ? 1 +55606 C C1C B CLA FN . 0.1385 0.7786 0.8499 -0.0077 -0.0201 0.0268 405 CLA A C1C ? ? 1 +55607 C C2C A CLA FN . 0.1365 0.7715 0.8441 -0.0068 -0.0187 0.0256 405 CLA A C2C ? ? 1 +55608 C C2C B CLA FN . 0.1411 0.7756 0.8485 -0.0067 -0.0189 0.0256 405 CLA A C2C ? ? 1 +55609 C C3C A CLA FN . 0.1366 0.7664 0.8400 -0.0099 -0.0196 0.0262 405 CLA A C3C ? ? 1 +55610 C C3C B CLA FN . 0.1401 0.7696 0.8433 -0.0098 -0.0197 0.0263 405 CLA A C3C ? ? 1 +55611 C C4C A CLA FN . 0.1317 0.7652 0.8375 -0.0122 -0.0209 0.0277 405 CLA A C4C ? ? 1 +55612 C C4C B CLA FN . 0.1369 0.7698 0.8425 -0.0121 -0.0211 0.0278 405 CLA A C4C ? ? 1 +55613 C CMC A CLA FN . 0.1404 0.7748 0.8479 -0.0034 -0.0171 0.0239 405 CLA A CMC ? ? 1 +55614 C CMC B CLA FN . 0.1440 0.7781 0.8514 -0.0033 -0.0172 0.0240 405 CLA A CMC ? ? 1 +55615 C CAC A CLA FN . 0.1417 0.7647 0.8399 -0.0106 -0.0193 0.0254 405 CLA A CAC ? ? 1 +55616 C CAC B CLA FN . 0.1438 0.7666 0.8418 -0.0105 -0.0193 0.0253 405 CLA A CAC ? ? 1 +55617 C CBC A CLA FN . 0.1401 0.7659 0.8384 -0.0113 -0.0173 0.0242 405 CLA A CBC ? ? 1 +55618 C CBC B CLA FN . 0.1416 0.7672 0.8398 -0.0113 -0.0174 0.0242 405 CLA A CBC ? ? 1 +55619 N ND A CLA FN . 0.1262 0.7627 0.8344 -0.0154 -0.0239 0.0308 405 CLA A ND ? ? 1 +55620 N ND B CLA FN . 0.1348 0.7709 0.8428 -0.0155 -0.0240 0.0309 405 CLA A ND ? ? 1 +55621 C C1D A CLA FN . 0.1268 0.7588 0.8314 -0.0170 -0.0233 0.0300 405 CLA A C1D ? ? 1 +55622 C C1D B CLA FN . 0.1325 0.7643 0.8370 -0.0171 -0.0234 0.0301 405 CLA A C1D ? ? 1 +55623 C C2D A CLA FN . 0.1258 0.7558 0.8289 -0.0202 -0.0244 0.0308 405 CLA A C2D ? ? 1 +55624 C C2D B CLA FN . 0.1303 0.7601 0.8333 -0.0203 -0.0244 0.0308 405 CLA A C2D ? ? 1 +55625 C C3D A CLA FN . 0.1218 0.7556 0.8277 -0.0206 -0.0251 0.0322 405 CLA A C3D ? ? 1 +55626 C C3D B CLA FN . 0.1274 0.7610 0.8332 -0.0206 -0.0252 0.0322 405 CLA A C3D ? ? 1 +55627 C C4D A CLA FN . 0.1211 0.7583 0.8295 -0.0180 -0.0249 0.0321 405 CLA A C4D ? ? 1 +55628 C C4D B CLA FN . 0.1276 0.7645 0.8358 -0.0181 -0.0249 0.0321 405 CLA A C4D ? ? 1 +55629 C CMD A CLA FN . 0.1269 0.7527 0.8269 -0.0227 -0.0248 0.0302 405 CLA A CMD ? ? 1 +55630 C CMD B CLA FN . 0.1298 0.7556 0.8298 -0.0227 -0.0248 0.0302 405 CLA A CMD ? ? 1 +55631 C CAD A CLA FN . 0.1185 0.7538 0.8254 -0.0226 -0.0261 0.0336 405 CLA A CAD ? ? 1 +55632 C CAD B CLA FN . 0.1240 0.7593 0.8308 -0.0227 -0.0261 0.0336 405 CLA A CAD ? ? 1 +55633 O OBD A CLA FN . 0.1189 0.7526 0.8247 -0.0252 -0.0265 0.0339 405 CLA A OBD ? ? 1 +55634 O OBD B CLA FN . 0.1256 0.7595 0.8315 -0.0253 -0.0265 0.0339 405 CLA A OBD ? ? 1 +55635 C CBD A CLA FN . 0.1162 0.7555 0.8256 -0.0212 -0.0265 0.0344 405 CLA A CBD ? ? 1 +55636 C CBD B CLA FN . 0.1218 0.7612 0.8313 -0.0212 -0.0265 0.0344 405 CLA A CBD ? ? 1 +55637 C CGD A CLA FN . 0.1090 0.7536 0.8210 -0.0228 -0.0264 0.0345 405 CLA A CGD ? ? 1 +55638 C CGD B CLA FN . 0.1130 0.7577 0.8250 -0.0229 -0.0264 0.0345 405 CLA A CGD ? ? 1 +55639 O O1D A CLA FN . 0.1065 0.7528 0.8190 -0.0237 -0.0256 0.0336 405 CLA A O1D ? ? 1 +55640 O O1D B CLA FN . 0.1095 0.7560 0.8220 -0.0237 -0.0256 0.0336 405 CLA A O1D ? ? 1 +55641 O O2D A CLA FN . 0.1061 0.7534 0.8196 -0.0233 -0.0272 0.0357 405 CLA A O2D ? ? 1 +55642 O O2D B CLA FN . 0.1091 0.7562 0.8224 -0.0235 -0.0272 0.0357 405 CLA A O2D ? ? 1 +55643 C CED A CLA FN . 0.1021 0.7541 0.8179 -0.0246 -0.0270 0.0355 405 CLA A CED ? ? 1 +55644 C CED B CLA FN . 0.1048 0.7565 0.8203 -0.0248 -0.0270 0.0356 405 CLA A CED ? ? 1 +55645 C C1 A CLA FN . 0.1600 0.7851 0.8612 -0.0031 -0.0308 0.0371 405 CLA A C1 ? ? 1 +55646 C C1 B CLA FN . 0.1718 0.7964 0.8727 -0.0031 -0.0309 0.0372 405 CLA A C1 ? ? 1 +55647 C C2 A CLA FN . 0.1610 0.7918 0.8655 0.0005 -0.0324 0.0367 405 CLA A C2 ? ? 1 +55648 C C2 B CLA FN . 0.1733 0.8034 0.8774 0.0005 -0.0324 0.0368 405 CLA A C2 ? ? 1 +55649 C C3 A CLA FN . 0.1649 0.7969 0.8690 0.0010 -0.0340 0.0379 405 CLA A C3 ? ? 1 +55650 C C3 B CLA FN . 0.1789 0.8107 0.8828 0.0010 -0.0340 0.0379 405 CLA A C3 ? ? 1 +55651 C C4 A CLA FN . 0.1657 0.7932 0.8658 -0.0021 -0.0337 0.0398 405 CLA A C4 ? ? 1 +55652 C C4 B CLA FN . 0.1789 0.8069 0.8792 -0.0021 -0.0339 0.0398 405 CLA A C4 ? ? 1 +55653 C C5 A CLA FN . 0.1677 0.8057 0.8752 0.0046 -0.0360 0.0371 405 CLA A C5 ? ? 1 +55654 C C5 B CLA FN . 0.1834 0.8213 0.8909 0.0047 -0.0359 0.0371 405 CLA A C5 ? ? 1 +55655 C C6 A CLA FN . 0.1633 0.8099 0.8763 0.0021 -0.0361 0.0364 405 CLA A C6 ? ? 1 +55656 C C6 B CLA FN . 0.1816 0.8280 0.8945 0.0023 -0.0362 0.0364 405 CLA A C6 ? ? 1 +55657 C C7 A CLA FN . 0.1631 0.8144 0.8807 0.0004 -0.0342 0.0346 405 CLA A C7 ? ? 1 +55658 C C7 B CLA FN . 0.1846 0.8364 0.9026 0.0008 -0.0344 0.0345 405 CLA A C7 ? ? 1 +55659 C C8 A CLA FN . 0.1605 0.8172 0.8816 -0.0036 -0.0332 0.0343 405 CLA A C8 ? ? 1 +55660 C C8 B CLA FN . 0.1860 0.8428 0.9071 -0.0034 -0.0333 0.0342 405 CLA A C8 ? ? 1 +55661 C C9 A CLA FN . 0.1590 0.8143 0.8780 -0.0068 -0.0335 0.0358 405 CLA A C9 ? ? 1 +55662 C C9 B CLA FN . 0.1860 0.8417 0.9052 -0.0065 -0.0337 0.0358 405 CLA A C9 ? ? 1 +55663 C C10 A CLA FN . 0.1601 0.8237 0.8869 -0.0037 -0.0320 0.0322 405 CLA A C10 ? ? 1 +55664 C C10 B CLA FN . 0.1875 0.8509 0.9142 -0.0037 -0.0319 0.0322 405 CLA A C10 ? ? 1 +55665 C C11 A CLA FN . 0.1577 0.8284 0.8892 -0.0059 -0.0320 0.0315 405 CLA A C11 ? ? 1 +55666 C C11 B CLA FN . 0.1872 0.8577 0.9186 -0.0059 -0.0319 0.0315 405 CLA A C11 ? ? 1 +55667 C C12 A CLA FN . 0.1579 0.8323 0.8928 -0.0076 -0.0295 0.0299 405 CLA A C12 ? ? 1 +55668 C C12 B CLA FN . 0.1892 0.8636 0.9242 -0.0075 -0.0295 0.0298 405 CLA A C12 ? ? 1 +55669 C C13 A CLA FN . 0.1570 0.8383 0.8967 -0.0097 -0.0293 0.0289 405 CLA A C13 ? ? 1 +55670 C C13 B CLA FN . 0.1913 0.8725 0.9309 -0.0096 -0.0293 0.0289 405 CLA A C13 ? ? 1 +55671 C C14 A CLA FN . 0.1573 0.8409 0.8992 -0.0117 -0.0263 0.0276 405 CLA A C14 ? ? 1 +55672 C C14 B CLA FN . 0.1938 0.8772 0.9355 -0.0117 -0.0263 0.0277 405 CLA A C14 ? ? 1 +55673 C C15 A CLA FN . 0.1593 0.8468 0.9040 -0.0070 -0.0311 0.0277 405 CLA A C15 ? ? 1 +55674 C C15 B CLA FN . 0.1949 0.8824 0.9396 -0.0070 -0.0311 0.0276 405 CLA A C15 ? ? 1 +55675 C C16 A CLA FN . 0.1563 0.8503 0.9056 -0.0094 -0.0311 0.0266 405 CLA A C16 ? ? 1 +55676 C C16 B CLA FN . 0.1922 0.8859 0.9412 -0.0095 -0.0311 0.0268 405 CLA A C16 ? ? 1 +55677 C C17 A CLA FN . 0.1579 0.8557 0.9095 -0.0072 -0.0343 0.0263 405 CLA A C17 ? ? 1 +55678 C C17 B CLA FN . 0.1939 0.8918 0.9457 -0.0073 -0.0342 0.0262 405 CLA A C17 ? ? 1 +55679 C C18 A CLA FN . 0.1564 0.8629 0.9158 -0.0063 -0.0344 0.0237 405 CLA A C18 ? ? 1 +55680 C C18 B CLA FN . 0.1909 0.8975 0.9503 -0.0063 -0.0343 0.0236 405 CLA A C18 ? ? 1 +55681 C C19 A CLA FN . 0.1597 0.8707 0.9222 -0.0026 -0.0378 0.0226 405 CLA A C19 ? ? 1 +55682 C C19 B CLA FN . 0.1959 0.9067 0.9584 -0.0024 -0.0377 0.0226 405 CLA A C19 ? ? 1 +55683 C C20 A CLA FN . 0.1560 0.8664 0.9197 -0.0085 -0.0308 0.0220 405 CLA A C20 ? ? 1 +55684 C C20 B CLA FN . 0.1912 0.9021 0.9554 -0.0086 -0.0309 0.0219 405 CLA A C20 ? ? 1 +55685 MG MG . CLA FO . 0.1903 0.7580 0.8427 -0.0559 0.0163 0.0662 611 CLA B MG ? ? 1 +55686 C CHA . CLA FO . 0.2054 0.7560 0.8344 -0.0441 0.0109 0.0705 611 CLA B CHA ? ? 1 +55687 C CHB . CLA FO . 0.1996 0.7673 0.8455 -0.0570 0.0246 0.0689 611 CLA B CHB ? ? 1 +55688 C CHC . CLA FO . 0.1677 0.7614 0.8473 -0.0636 0.0170 0.0605 611 CLA B CHC ? ? 1 +55689 C CHD . CLA FO . 0.1765 0.7507 0.8377 -0.0519 0.0058 0.0625 611 CLA B CHD ? ? 1 +55690 N NA . CLA FO . 0.1997 0.7609 0.8401 -0.0515 0.0172 0.0691 611 CLA B NA ? ? 1 +55691 C C1A . CLA FO . 0.2065 0.7603 0.8376 -0.0472 0.0150 0.0707 611 CLA B C1A ? ? 1 +55692 C C2A . CLA FO . 0.2176 0.7648 0.8389 -0.0453 0.0172 0.0729 611 CLA B C2A ? ? 1 +55693 C C3A . CLA FO . 0.2150 0.7668 0.8412 -0.0498 0.0221 0.0725 611 CLA B C3A ? ? 1 +55694 C C4A . CLA FO . 0.2034 0.7646 0.8420 -0.0530 0.0212 0.0700 611 CLA B C4A ? ? 1 +55695 C CMA . CLA FO . 0.2281 0.7698 0.8474 -0.0529 0.0281 0.0745 611 CLA B CMA ? ? 1 +55696 C CAA . CLA FO . 0.2171 0.7666 0.8350 -0.0400 0.0128 0.0730 611 CLA B CAA ? ? 1 +55697 C CBA . CLA FO . 0.2061 0.7685 0.8346 -0.0399 0.0098 0.0705 611 CLA B CBA ? ? 1 +55698 C CGA . CLA FO . 0.2072 0.7731 0.8339 -0.0354 0.0055 0.0702 611 CLA B CGA ? ? 1 +55699 O O1A . CLA FO . 0.2153 0.7759 0.8334 -0.0324 0.0050 0.0715 611 CLA B O1A ? ? 1 +55700 O O2A . CLA FO . 0.2022 0.7781 0.8381 -0.0348 0.0016 0.0679 611 CLA B O2A ? ? 1 +55701 N NB . CLA FO . 0.1843 0.7636 0.8462 -0.0597 0.0201 0.0649 611 CLA B NB ? ? 1 +55702 C C1B . CLA FO . 0.1890 0.7666 0.8471 -0.0601 0.0237 0.0662 611 CLA B C1B ? ? 1 +55703 C C2B . CLA FO . 0.1835 0.7703 0.8500 -0.0630 0.0264 0.0648 611 CLA B C2B ? ? 1 +55704 C C3B . CLA FO . 0.1737 0.7685 0.8503 -0.0647 0.0236 0.0622 611 CLA B C3B ? ? 1 +55705 C C4B . CLA FO . 0.1748 0.7636 0.8474 -0.0628 0.0203 0.0626 611 CLA B C4B ? ? 1 +55706 C CMB . CLA FO . 0.1872 0.7746 0.8518 -0.0637 0.0308 0.0656 611 CLA B CMB ? ? 1 +55707 C CAB . CLA FO . 0.1661 0.7717 0.8544 -0.0679 0.0244 0.0597 611 CLA B CAB ? ? 1 +55708 C CBB . CLA FO . 0.1682 0.7762 0.8596 -0.0711 0.0292 0.0596 611 CLA B CBB ? ? 1 +55709 N NC . CLA FO . 0.1743 0.7550 0.8409 -0.0574 0.0122 0.0626 611 CLA B NC ? ? 1 +55710 C C1C . CLA FO . 0.1681 0.7579 0.8445 -0.0608 0.0130 0.0605 611 CLA B C1C ? ? 1 +55711 C C2C . CLA FO . 0.1591 0.7554 0.8430 -0.0611 0.0095 0.0581 611 CLA B C2C ? ? 1 +55712 C C3C . CLA FO . 0.1633 0.7534 0.8414 -0.0578 0.0066 0.0588 611 CLA B C3C ? ? 1 +55713 C C4C . CLA FO . 0.1721 0.7531 0.8403 -0.0560 0.0086 0.0615 611 CLA B C4C ? ? 1 +55714 C CMC . CLA FO . 0.1502 0.7565 0.8445 -0.0637 0.0088 0.0556 611 CLA B CMC ? ? 1 +55715 C CAC . CLA FO . 0.1604 0.7525 0.8415 -0.0565 0.0028 0.0572 611 CLA B CAC ? ? 1 +55716 C CBC . CLA FO . 0.1537 0.7517 0.8362 -0.0525 -0.0011 0.0567 611 CLA B CBC ? ? 1 +55717 N ND . CLA FO . 0.1887 0.7547 0.8371 -0.0493 0.0094 0.0662 611 CLA B ND ? ? 1 +55718 C C1D . CLA FO . 0.1848 0.7510 0.8361 -0.0488 0.0064 0.0649 611 CLA B C1D ? ? 1 +55719 C C2D . CLA FO . 0.1908 0.7498 0.8344 -0.0442 0.0037 0.0661 611 CLA B C2D ? ? 1 +55720 C C3D . CLA FO . 0.1984 0.7513 0.8334 -0.0425 0.0055 0.0683 611 CLA B C3D ? ? 1 +55721 C C4D . CLA FO . 0.1973 0.7536 0.8350 -0.0458 0.0090 0.0684 611 CLA B C4D ? ? 1 +55722 C CMD . CLA FO . 0.1898 0.7470 0.8331 -0.0415 0.0002 0.0653 611 CLA B CMD ? ? 1 +55723 C CAD . CLA FO . 0.2083 0.7523 0.8321 -0.0382 0.0047 0.0706 611 CLA B CAD ? ? 1 +55724 O OBD . CLA FO . 0.2132 0.7521 0.8320 -0.0341 0.0016 0.0710 611 CLA B OBD ? ? 1 +55725 C CBD . CLA FO . 0.2123 0.7540 0.8314 -0.0391 0.0082 0.0721 611 CLA B CBD ? ? 1 +55726 C CGD . CLA FO . 0.2255 0.7536 0.8334 -0.0393 0.0116 0.0747 611 CLA B CGD ? ? 1 +55727 O O1D . CLA FO . 0.2301 0.7529 0.8378 -0.0425 0.0142 0.0748 611 CLA B O1D ? ? 1 +55728 O O2D . CLA FO . 0.2332 0.7536 0.8297 -0.0356 0.0117 0.0769 611 CLA B O2D ? ? 1 +55729 C CED . CLA FO . 0.2482 0.7544 0.8329 -0.0346 0.0138 0.0793 611 CLA B CED ? ? 1 +55730 C C1 . CLA FO . 0.2047 0.7850 0.8404 -0.0314 -0.0021 0.0671 611 CLA B C1 ? ? 1 +55731 C C2 . CLA FO . 0.1983 0.7887 0.8443 -0.0321 -0.0048 0.0648 611 CLA B C2 ? ? 1 +55732 C C3 . CLA FO . 0.2007 0.7968 0.8489 -0.0298 -0.0082 0.0636 611 CLA B C3 ? ? 1 +55733 C C4 . CLA FO . 0.2071 0.8002 0.8479 -0.0265 -0.0096 0.0644 611 CLA B C4 ? ? 1 +55734 C C5 . CLA FO . 0.1969 0.8021 0.8543 -0.0303 -0.0107 0.0614 611 CLA B C5 ? ? 1 +55735 C C6 . CLA FO . 0.2017 0.8095 0.8658 -0.0333 -0.0097 0.0605 611 CLA B C6 ? ? 1 +55736 C C7 . CLA FO . 0.2020 0.8189 0.8742 -0.0340 -0.0114 0.0585 611 CLA B C7 ? ? 1 +55737 C C8 . CLA FO . 0.2095 0.8302 0.8885 -0.0359 -0.0121 0.0570 611 CLA B C8 ? ? 1 +55738 C C9 . CLA FO . 0.2190 0.8347 0.8968 -0.0364 -0.0119 0.0574 611 CLA B C9 ? ? 1 +55739 C C10 . CLA FO . 0.2123 0.8414 0.8988 -0.0372 -0.0126 0.0553 611 CLA B C10 ? ? 1 +55740 C C11 . CLA FO . 0.2235 0.8557 0.9112 -0.0382 -0.0106 0.0552 611 CLA B C11 ? ? 1 +55741 C C12 . CLA FO . 0.2313 0.8654 0.9233 -0.0415 -0.0075 0.0549 611 CLA B C12 ? ? 1 +55742 C C13 . CLA FO . 0.2390 0.8789 0.9344 -0.0418 -0.0066 0.0541 611 CLA B C13 ? ? 1 +55743 C C14 . CLA FO . 0.2497 0.8875 0.9394 -0.0396 -0.0065 0.0550 611 CLA B C14 ? ? 1 +55744 C C15 . CLA FO . 0.2445 0.8857 0.9431 -0.0448 -0.0029 0.0540 611 CLA B C15 ? ? 1 +55745 C C16 . CLA FO . 0.2465 0.8919 0.9522 -0.0472 -0.0033 0.0525 611 CLA B C16 ? ? 1 +55746 C C17 . CLA FO . 0.2555 0.9016 0.9638 -0.0503 0.0007 0.0525 611 CLA B C17 ? ? 1 +55747 C C18 . CLA FO . 0.2605 0.9099 0.9755 -0.0533 0.0008 0.0510 611 CLA B C18 ? ? 1 +55748 C C19 . CLA FO . 0.2660 0.9220 0.9872 -0.0527 -0.0026 0.0489 611 CLA B C19 ? ? 1 +55749 C C20 . CLA FO . 0.2695 0.9142 0.9840 -0.0566 0.0036 0.0515 611 CLA B C20 ? ? 1 +55750 MG MG . CLA FP . 0.2291 0.9268 1.0022 0.1097 -0.0301 -0.0046 506 CLA C MG ? ? 1 +55751 C CHA . CLA FP . 0.2318 0.9456 1.0174 0.1286 -0.0417 -0.0081 506 CLA C CHA ? ? 1 +55752 C CHB . CLA FP . 0.2186 0.9161 0.9883 0.0997 -0.0382 0.0009 506 CLA C CHB ? ? 1 +55753 C CHC . CLA FP . 0.2184 0.9166 0.9915 0.0902 -0.0190 -0.0037 506 CLA C CHC ? ? 1 +55754 C CHD . CLA FP . 0.2347 0.9499 1.0250 0.1187 -0.0202 -0.0130 506 CLA C CHD ? ? 1 +55755 N NA . CLA FP . 0.2300 0.9324 1.0053 0.1130 -0.0381 -0.0034 506 CLA C NA ? ? 1 +55756 C C1A . CLA FP . 0.2320 0.9384 1.0104 0.1209 -0.0422 -0.0047 506 CLA C C1A ? ? 1 +55757 C C2A . CLA FP . 0.2383 0.9384 1.0099 0.1224 -0.0479 -0.0020 506 CLA C C2A ? ? 1 +55758 C C3A . CLA FP . 0.2314 0.9253 0.9972 0.1132 -0.0464 0.0009 506 CLA C C3A ? ? 1 +55759 C C4A . CLA FP . 0.2260 0.9244 0.9967 0.1080 -0.0405 -0.0006 506 CLA C C4A ? ? 1 +55760 C CMA . CLA FP . 0.2388 0.9140 0.9891 0.1129 -0.0470 0.0046 506 CLA C CMA ? ? 1 +55761 C CAA . CLA FP . 0.2392 0.9524 1.0202 0.1263 -0.0529 -0.0038 506 CLA C CAA ? ? 1 +55762 C CBA . CLA FP . 0.2312 0.9601 1.0248 0.1202 -0.0521 -0.0057 506 CLA C CBA ? ? 1 +55763 C CGA . CLA FP . 0.2338 0.9755 1.0397 0.1199 -0.0476 -0.0094 506 CLA C CGA ? ? 1 +55764 O O1A . CLA FP . 0.2408 0.9901 1.0537 0.1267 -0.0482 -0.0124 506 CLA C O1A ? ? 1 +55765 O O2A . CLA FP . 0.2384 0.9835 1.0477 0.1112 -0.0423 -0.0095 506 CLA C O2A ? ? 1 +55766 N NB . CLA FP . 0.2198 0.9189 0.9928 0.0972 -0.0288 -0.0021 506 CLA C NB ? ? 1 +55767 C C1B . CLA FP . 0.2171 0.9148 0.9878 0.0943 -0.0325 0.0002 506 CLA C C1B ? ? 1 +55768 C C2B . CLA FP . 0.2111 0.9086 0.9809 0.0854 -0.0307 0.0019 506 CLA C C2B ? ? 1 +55769 C C3B . CLA FP . 0.2140 0.9118 0.9848 0.0827 -0.0253 0.0005 506 CLA C C3B ? ? 1 +55770 C C4B . CLA FP . 0.2177 0.9158 0.9898 0.0901 -0.0243 -0.0018 506 CLA C C4B ? ? 1 +55771 C CMB . CLA FP . 0.2057 0.9023 0.9733 0.0807 -0.0337 0.0043 506 CLA C CMB ? ? 1 +55772 C CAB . CLA FP . 0.2186 0.9155 0.9881 0.0743 -0.0222 0.0016 506 CLA C CAB ? ? 1 +55773 C CBB . CLA FP . 0.2252 0.9202 0.9934 0.0713 -0.0174 0.0009 506 CLA C CBB ? ? 1 +55774 N NC . CLA FP . 0.2268 0.9323 1.0073 0.1052 -0.0217 -0.0077 506 CLA C NC ? ? 1 +55775 C C1C . CLA FP . 0.2255 0.9284 1.0035 0.0975 -0.0178 -0.0067 506 CLA C C1C ? ? 1 +55776 C C2C . CLA FP . 0.2266 0.9336 1.0085 0.0964 -0.0119 -0.0091 506 CLA C C2C ? ? 1 +55777 C C3C . CLA FP . 0.2305 0.9429 1.0178 0.1046 -0.0119 -0.0119 506 CLA C C3C ? ? 1 +55778 C C4C . CLA FP . 0.2309 0.9409 1.0161 0.1095 -0.0182 -0.0106 506 CLA C C4C ? ? 1 +55779 C CMC . CLA FP . 0.2244 0.9297 1.0042 0.0889 -0.0069 -0.0087 506 CLA C CMC ? ? 1 +55780 C CAC . CLA FP . 0.2380 0.9546 1.0295 0.1076 -0.0067 -0.0150 506 CLA C CAC ? ? 1 +55781 C CBC . CLA FP . 0.2362 0.9707 1.0430 0.1085 -0.0041 -0.0186 506 CLA C CBC ? ? 1 +55782 N ND . CLA FP . 0.2295 0.9439 1.0173 0.1198 -0.0306 -0.0097 506 CLA C ND ? ? 1 +55783 C C1D . CLA FP . 0.2336 0.9504 1.0248 0.1241 -0.0264 -0.0125 506 CLA C C1D ? ? 1 +55784 C C2D . CLA FP . 0.2367 0.9610 1.0345 0.1337 -0.0293 -0.0152 506 CLA C C2D ? ? 1 +55785 C C3D . CLA FP . 0.2361 0.9584 1.0310 0.1353 -0.0358 -0.0132 506 CLA C C3D ? ? 1 +55786 C C4D . CLA FP . 0.2323 0.9473 1.0203 0.1277 -0.0359 -0.0100 506 CLA C C4D ? ? 1 +55787 C CMD . CLA FP . 0.2413 0.9727 1.0462 0.1411 -0.0272 -0.0188 506 CLA C CMD ? ? 1 +55788 C CAD . CLA FP . 0.2387 0.9635 1.0347 0.1427 -0.0423 -0.0134 506 CLA C CAD ? ? 1 +55789 O OBD . CLA FP . 0.2406 0.9714 1.0420 0.1516 -0.0447 -0.0159 506 CLA C OBD ? ? 1 +55790 C CBD . CLA FP . 0.2360 0.9541 1.0249 0.1384 -0.0462 -0.0099 506 CLA C CBD ? ? 1 +55791 C CGD . CLA FP . 0.2438 0.9449 1.0182 0.1438 -0.0497 -0.0071 506 CLA C CGD ? ? 1 +55792 O O1D . CLA FP . 0.2460 0.9449 1.0171 0.1467 -0.0550 -0.0057 506 CLA C O1D ? ? 1 +55793 O O2D . CLA FP . 0.2487 0.9350 1.0123 0.1462 -0.0469 -0.0061 506 CLA C O2D ? ? 1 +55794 C CED . CLA FP . 0.2602 0.9322 1.0116 0.1525 -0.0507 -0.0039 506 CLA C CED ? ? 1 +55795 C C1 . CLA FP . 0.2523 1.0044 1.0689 0.1108 -0.0369 -0.0122 506 CLA C C1 ? ? 1 +55796 C C2 . CLA FP . 0.2573 1.0094 1.0741 0.1014 -0.0319 -0.0114 506 CLA C C2 ? ? 1 +55797 C C3 . CLA FP . 0.2794 1.0311 1.0969 0.0998 -0.0260 -0.0126 506 CLA C C3 ? ? 1 +55798 C C4 . CLA FP . 0.2877 1.0390 1.1060 0.1071 -0.0241 -0.0148 506 CLA C C4 ? ? 1 +55799 C C5 . CLA FP . 0.2940 1.0453 1.1110 0.0909 -0.0210 -0.0119 506 CLA C C5 ? ? 1 +55800 C C6 . CLA FP . 0.3114 1.0576 1.1229 0.0846 -0.0235 -0.0087 506 CLA C C6 ? ? 1 +55801 C C7 . CLA FP . 0.3338 1.0768 1.1425 0.0768 -0.0184 -0.0078 506 CLA C C7 ? ? 1 +55802 C C8 . CLA FP . 0.3550 1.1014 1.1655 0.0692 -0.0187 -0.0065 506 CLA C C8 ? ? 1 +55803 C C9 . CLA FP . 0.3596 1.0963 1.1614 0.0624 -0.0164 -0.0038 506 CLA C C9 ? ? 1 +55804 C C10 . CLA FP . 0.3875 1.1468 1.2085 0.0681 -0.0215 -0.0079 506 CLA C C10 ? ? 1 +55805 C C11 . CLA FP . 0.4160 1.1868 1.2476 0.0653 -0.0163 -0.0109 506 CLA C C11 ? ? 1 +55806 C C12 . CLA FP . 0.4309 1.2170 1.2756 0.0642 -0.0180 -0.0134 506 CLA C C12 ? ? 1 +55807 C C13 . CLA FP . 0.4332 1.2302 1.2882 0.0620 -0.0121 -0.0167 506 CLA C C13 ? ? 1 +55808 C C14 . CLA FP . 0.4221 1.2341 1.2908 0.0667 -0.0141 -0.0205 506 CLA C C14 ? ? 1 +55809 C C15 . CLA FP . 0.4490 1.2477 1.3052 0.0532 -0.0090 -0.0160 506 CLA C C15 ? ? 1 +55810 C C16 . CLA FP . 0.4581 1.2604 1.3181 0.0501 -0.0016 -0.0178 506 CLA C C16 ? ? 1 +55811 C C17 . CLA FP . 0.4606 1.2619 1.3193 0.0415 0.0014 -0.0166 506 CLA C C17 ? ? 1 +55812 C C18 . CLA FP . 0.4606 1.2720 1.3288 0.0375 0.0077 -0.0194 506 CLA C C18 ? ? 1 +55813 C C19 . CLA FP . 0.4775 1.2997 1.3564 0.0415 0.0112 -0.0232 506 CLA C C19 ? ? 1 +55814 C C20 . CLA FP . 0.4673 1.2760 1.3327 0.0291 0.0115 -0.0180 506 CLA C C20 ? ? 1 +55815 C C1 . HTG FQ . 1.1462 1.4819 1.4338 0.0514 0.1252 -0.0324 202 HTG V C1 ? ? 1 +55816 C C2 . HTG FQ . 1.1338 1.4848 1.4434 0.0513 0.1271 -0.0329 202 HTG V C2 ? ? 1 +55817 O O2 . HTG FQ . 1.1233 1.4775 1.4356 0.0527 0.1387 -0.0335 202 HTG V O2 ? ? 1 +55818 C C3 . HTG FQ . 1.1362 1.4852 1.4472 0.0541 0.1206 -0.0359 202 HTG V C3 ? ? 1 +55819 O O3 . HTG FQ . 1.1292 1.4926 1.4612 0.0539 0.1211 -0.0360 202 HTG V O3 ? ? 1 +55820 C C4 . HTG FQ . 1.1211 1.4640 1.4259 0.0529 0.1087 -0.0360 202 HTG V C4 ? ? 1 +55821 O O4 . HTG FQ . 1.0760 1.4137 1.3779 0.0555 0.1038 -0.0392 202 HTG V O4 ? ? 1 +55822 C C5 . HTG FQ . 1.1348 1.4642 1.4190 0.0527 0.1075 -0.0353 202 HTG V C5 ? ? 1 +55823 O O5 . HTG FQ . 1.1333 1.4661 1.4184 0.0503 0.1135 -0.0322 202 HTG V O5 ? ? 1 +55824 C C6 . HTG FQ . 1.1394 1.4647 1.4192 0.0512 0.0956 -0.0352 202 HTG V C6 ? ? 1 +55825 O O6 . HTG FQ . 1.1767 1.4880 1.4355 0.0520 0.0941 -0.0352 202 HTG V O6 ? ? 1 +55826 MG MG . CLA FR . 0.0930 0.8853 0.9381 -0.0777 -0.0450 -0.0234 605 CLA b MG ? ? 1 +55827 C CHA . CLA FR . 0.1031 0.8691 0.9275 -0.0875 -0.0367 -0.0194 605 CLA b CHA ? ? 1 +55828 C CHB . CLA FR . 0.0953 0.9035 0.9639 -0.0906 -0.0353 -0.0310 605 CLA b CHB ? ? 1 +55829 C CHC . CLA FR . 0.0892 0.9087 0.9553 -0.0689 -0.0580 -0.0307 605 CLA b CHC ? ? 1 +55830 C CHD . CLA FR . 0.0961 0.8727 0.9177 -0.0677 -0.0566 -0.0183 605 CLA b CHD ? ? 1 +55831 N NA . CLA FR . 0.0984 0.8862 0.9444 -0.0872 -0.0377 -0.0248 605 CLA b NA ? ? 1 +55832 C C1A . CLA FR . 0.1027 0.8794 0.9395 -0.0902 -0.0347 -0.0227 605 CLA b C1A ? ? 1 +55833 C C2A . CLA FR . 0.1072 0.8817 0.9460 -0.0967 -0.0283 -0.0236 605 CLA b C2A ? ? 1 +55834 C C3A . CLA FR . 0.1033 0.8909 0.9558 -0.0975 -0.0273 -0.0269 605 CLA b C3A ? ? 1 +55835 C C4A . CLA FR . 0.0986 0.8938 0.9547 -0.0914 -0.0339 -0.0277 605 CLA b C4A ? ? 1 +55836 C CMA . CLA FR . 0.1008 0.8877 0.9539 -0.0974 -0.0213 -0.0249 605 CLA b CMA ? ? 1 +55837 C CAA . CLA FR . 0.1166 0.8866 0.9532 -0.1022 -0.0284 -0.0257 605 CLA b CAA ? ? 1 +55838 C CBA . CLA FR . 0.1219 0.9019 0.9674 -0.1032 -0.0338 -0.0304 605 CLA b CBA ? ? 1 +55839 C CGA . CLA FR . 0.1325 0.9064 0.9731 -0.1069 -0.0356 -0.0319 605 CLA b CGA ? ? 1 +55840 O O1A . CLA FR . 0.1410 0.9049 0.9745 -0.1108 -0.0315 -0.0307 605 CLA b O1A ? ? 1 +55841 O O2A . CLA FR . 0.1390 0.9192 0.9831 -0.1052 -0.0425 -0.0350 605 CLA b O2A ? ? 1 +55842 N NB . CLA FR . 0.0909 0.9022 0.9555 -0.0796 -0.0467 -0.0299 605 CLA b NB ? ? 1 +55843 C C1B . CLA FR . 0.0914 0.9081 0.9647 -0.0849 -0.0419 -0.0324 605 CLA b C1B ? ? 1 +55844 C C2B . CLA FR . 0.0895 0.9212 0.9777 -0.0852 -0.0437 -0.0371 605 CLA b C2B ? ? 1 +55845 C C3B . CLA FR . 0.0883 0.9232 0.9754 -0.0784 -0.0509 -0.0370 605 CLA b C3B ? ? 1 +55846 C C4B . CLA FR . 0.0889 0.9104 0.9611 -0.0754 -0.0518 -0.0323 605 CLA b C4B ? ? 1 +55847 C CMB . CLA FR . 0.0890 0.9300 0.9897 -0.0907 -0.0392 -0.0409 605 CLA b CMB ? ? 1 +55848 C CAB . CLA FR . 0.0876 0.9364 0.9866 -0.0752 -0.0555 -0.0408 605 CLA b CAB ? ? 1 +55849 C CBB . CLA FR . 0.0870 0.9377 0.9840 -0.0682 -0.0613 -0.0401 605 CLA b CBB ? ? 1 +55850 N NC . CLA FR . 0.0928 0.8893 0.9366 -0.0705 -0.0550 -0.0243 605 CLA b NC ? ? 1 +55851 C C1C . CLA FR . 0.0919 0.8990 0.9441 -0.0671 -0.0594 -0.0269 605 CLA b C1C ? ? 1 +55852 C C2C . CLA FR . 0.0938 0.9000 0.9409 -0.0615 -0.0661 -0.0264 605 CLA b C2C ? ? 1 +55853 C C3C . CLA FR . 0.0961 0.8895 0.9300 -0.0614 -0.0653 -0.0227 605 CLA b C3C ? ? 1 +55854 C C4C . CLA FR . 0.0945 0.8834 0.9279 -0.0667 -0.0586 -0.0217 605 CLA b C4C ? ? 1 +55855 C CMC . CLA FR . 0.0950 0.9106 0.9483 -0.0566 -0.0723 -0.0290 605 CLA b CMC ? ? 1 +55856 C CAC . CLA FR . 0.0988 0.8851 0.9220 -0.0569 -0.0698 -0.0204 605 CLA b CAC ? ? 1 +55857 C CBC . CLA FR . 0.1042 0.8882 0.9241 -0.0590 -0.0734 -0.0225 605 CLA b CBC ? ? 1 +55858 N ND . CLA FR . 0.0988 0.8763 0.9282 -0.0782 -0.0472 -0.0207 605 CLA b ND ? ? 1 +55859 C C1D . CLA FR . 0.0967 0.8677 0.9163 -0.0731 -0.0510 -0.0177 605 CLA b C1D ? ? 1 +55860 C C2D . CLA FR . 0.0989 0.8577 0.9071 -0.0743 -0.0490 -0.0148 605 CLA b C2D ? ? 1 +55861 C C3D . CLA FR . 0.1009 0.8583 0.9116 -0.0800 -0.0434 -0.0156 605 CLA b C3D ? ? 1 +55862 C C4D . CLA FR . 0.0996 0.8671 0.9215 -0.0815 -0.0424 -0.0184 605 CLA b C4D ? ? 1 +55863 C CMD . CLA FR . 0.1000 0.8495 0.8966 -0.0712 -0.0510 -0.0118 605 CLA b CMD ? ? 1 +55864 C CAD . CLA FR . 0.1045 0.8527 0.9093 -0.0844 -0.0382 -0.0142 605 CLA b CAD ? ? 1 +55865 O OBD . CLA FR . 0.1066 0.8444 0.9010 -0.0840 -0.0376 -0.0115 605 CLA b OBD ? ? 1 +55866 C CBD . CLA FR . 0.1064 0.8595 0.9195 -0.0893 -0.0336 -0.0164 605 CLA b CBD ? ? 1 +55867 C CGD . CLA FR . 0.1043 0.8530 0.9142 -0.0887 -0.0284 -0.0132 605 CLA b CGD ? ? 1 +55868 O O1D . CLA FR . 0.1068 0.8521 0.9164 -0.0929 -0.0232 -0.0132 605 CLA b O1D ? ? 1 +55869 O O2D . CLA FR . 0.0997 0.8476 0.9063 -0.0829 -0.0295 -0.0101 605 CLA b O2D ? ? 1 +55870 C CED . CLA FR . 0.0980 0.8433 0.9030 -0.0822 -0.0249 -0.0077 605 CLA b CED ? ? 1 +55871 C C1 . CLA FR . 0.1530 0.9274 0.9915 -0.1076 -0.0454 -0.0364 605 CLA b C1 ? ? 1 +55872 C C2 . CLA FR . 0.1599 0.9440 1.0047 -0.1050 -0.0527 -0.0399 605 CLA b C2 ? ? 1 +55873 C C3 . CLA FR . 0.1749 0.9585 1.0191 -0.1075 -0.0566 -0.0430 605 CLA b C3 ? ? 1 +55874 C C4 . CLA FR . 0.1813 0.9539 1.0180 -0.1132 -0.0534 -0.0431 605 CLA b C4 ? ? 1 +55875 C C5 . CLA FR . 0.1819 0.9764 1.0332 -0.1045 -0.0642 -0.0468 605 CLA b C5 ? ? 1 +55876 C C6 . CLA FR . 0.1903 0.9816 1.0375 -0.1063 -0.0691 -0.0496 605 CLA b C6 ? ? 1 +55877 C C7 . CLA FR . 0.1910 0.9948 1.0473 -0.1041 -0.0764 -0.0541 605 CLA b C7 ? ? 1 +55878 C C8 . CLA FR . 0.1958 0.9955 1.0465 -0.1053 -0.0816 -0.0567 605 CLA b C8 ? ? 1 +55879 C C9 . CLA FR . 0.1991 0.9836 1.0359 -0.1072 -0.0797 -0.0544 605 CLA b C9 ? ? 1 +55880 C C10 . CLA FR . 0.1975 1.0080 1.0570 -0.1059 -0.0886 -0.0625 605 CLA b C10 ? ? 1 +55881 C C11 . CLA FR . 0.2011 1.0067 1.0513 -0.1026 -0.0956 -0.0633 605 CLA b C11 ? ? 1 +55882 C C12 . CLA FR . 0.1977 1.0140 1.0534 -0.0964 -0.1032 -0.0654 605 CLA b C12 ? ? 1 +55883 C C13 . CLA FR . 0.1942 1.0265 1.0668 -0.0996 -0.1060 -0.0716 605 CLA b C13 ? ? 1 +55884 C C14 . CLA FR . 0.1929 1.0340 1.0685 -0.0919 -0.1135 -0.0726 605 CLA b C14 ? ? 1 +55885 C C15 . CLA FR . 0.2019 1.0342 1.0766 -0.1063 -0.1081 -0.0768 605 CLA b C15 ? ? 1 +55886 C C16 . CLA FR . 0.2040 1.0529 1.0955 -0.1092 -0.1126 -0.0837 605 CLA b C16 ? ? 1 +55887 C C17 . CLA FR . 0.1992 1.0559 1.1041 -0.1153 -0.1055 -0.0851 605 CLA b C17 ? ? 1 +55888 C C18 . CLA FR . 0.2050 1.0743 1.1255 -0.1223 -0.1067 -0.0922 605 CLA b C18 ? ? 1 +55889 C C19 . CLA FR . 0.2153 1.0857 1.1363 -0.1259 -0.1130 -0.0977 605 CLA b C19 ? ? 1 +55890 C C20 . CLA FR . 0.2002 1.0841 1.1380 -0.1247 -0.1029 -0.0945 605 CLA b C20 ? ? 1 +55891 MG MG . CLA FS . 0.4960 0.9908 0.9413 0.1728 0.1234 -0.0262 502 CLA c MG ? ? 1 +55892 C CHA . CLA FS . 0.5110 0.9767 0.9383 0.1776 0.1083 -0.0283 502 CLA c CHA ? ? 1 +55893 C CHB . CLA FS . 0.4556 0.9772 0.9348 0.1606 0.1122 -0.0204 502 CLA c CHB ? ? 1 +55894 C CHC . CLA FS . 0.4862 0.9964 0.9361 0.1611 0.1357 -0.0224 502 CLA c CHC ? ? 1 +55895 C CHD . CLA FS . 0.5403 0.9969 0.9392 0.1798 0.1314 -0.0313 502 CLA c CHD ? ? 1 +55896 N NA . CLA FS . 0.4853 0.9790 0.9368 0.1691 0.1121 -0.0244 502 CLA c NA ? ? 1 +55897 C C1A . CLA FS . 0.4935 0.9757 0.9374 0.1720 0.1073 -0.0256 502 CLA c C1A ? ? 1 +55898 C C2A . CLA FS . 0.4832 0.9698 0.9366 0.1696 0.1004 -0.0240 502 CLA c C2A ? ? 1 +55899 C C3A . CLA FS . 0.4648 0.9694 0.9347 0.1648 0.1017 -0.0217 502 CLA c C3A ? ? 1 +55900 C C4A . CLA FS . 0.4686 0.9756 0.9354 0.1646 0.1091 -0.0221 502 CLA c C4A ? ? 1 +55901 C CMA . CLA FS . 0.4560 0.9760 0.9432 0.1695 0.1020 -0.0219 502 CLA c CMA ? ? 1 +55902 C CAA . CLA FS . 0.4883 0.9604 0.9306 0.1643 0.0932 -0.0232 502 CLA c CAA ? ? 1 +55903 C CBA . CLA FS . 0.4942 0.9586 0.9260 0.1573 0.0930 -0.0225 502 CLA c CBA ? ? 1 +55904 C CGA . CLA FS . 0.4824 0.9578 0.9248 0.1495 0.0908 -0.0195 502 CLA c CGA ? ? 1 +55905 O O1A . CLA FS . 0.4735 0.9500 0.9208 0.1453 0.0850 -0.0180 502 CLA c O1A ? ? 1 +55906 O O2A . CLA FS . 0.4871 0.9712 0.9334 0.1467 0.0959 -0.0185 502 CLA c O2A ? ? 1 +55907 N NB . CLA FS . 0.4742 0.9866 0.9355 0.1625 0.1237 -0.0222 502 CLA c NB ? ? 1 +55908 C C1B . CLA FS . 0.4585 0.9818 0.9343 0.1589 0.1192 -0.0203 502 CLA c C1B ? ? 1 +55909 C C2B . CLA FS . 0.4447 0.9804 0.9312 0.1524 0.1209 -0.0178 502 CLA c C2B ? ? 1 +55910 C C3B . CLA FS . 0.4547 0.9867 0.9324 0.1524 0.1279 -0.0183 502 CLA c C3B ? ? 1 +55911 C C4B . CLA FS . 0.4715 0.9899 0.9346 0.1590 0.1293 -0.0210 502 CLA c C4B ? ? 1 +55912 C CMB . CLA FS . 0.4271 0.9755 0.9293 0.1474 0.1168 -0.0156 502 CLA c CMB ? ? 1 +55913 C CAB . CLA FS . 0.4490 0.9896 0.9322 0.1467 0.1321 -0.0162 502 CLA c CAB ? ? 1 +55914 C CBB . CLA FS . 0.4586 0.9960 0.9337 0.1465 0.1387 -0.0163 502 CLA c CBB ? ? 1 +55915 N NC . CLA FS . 0.5085 0.9946 0.9373 0.1707 0.1313 -0.0266 502 CLA c NC ? ? 1 +55916 C C1C . CLA FS . 0.5036 0.9979 0.9366 0.1665 0.1362 -0.0250 502 CLA c C1C ? ? 1 +55917 C C2C . CLA FS . 0.5176 1.0023 0.9355 0.1668 0.1419 -0.0258 502 CLA c C2C ? ? 1 +55918 C C3C . CLA FS . 0.5334 1.0025 0.9363 0.1724 0.1405 -0.0285 502 CLA c C3C ? ? 1 +55919 C C4C . CLA FS . 0.5264 0.9980 0.9378 0.1745 0.1344 -0.0288 502 CLA c C4C ? ? 1 +55920 C CMC . CLA FS . 0.5174 1.0063 0.9344 0.1626 0.1478 -0.0242 502 CLA c CMC ? ? 1 +55921 C CAC . CLA FS . 0.5532 1.0068 0.9363 0.1754 0.1443 -0.0307 502 CLA c CAC ? ? 1 +55922 C CBC . CLA FS . 0.5580 0.9961 0.9255 0.1695 0.1378 -0.0301 502 CLA c CBC ? ? 1 +55923 N ND . CLA FS . 0.5182 0.9852 0.9367 0.1757 0.1197 -0.0287 502 CLA c ND ? ? 1 +55924 C C1D . CLA FS . 0.5359 0.9911 0.9393 0.1809 0.1246 -0.0313 502 CLA c C1D ? ? 1 +55925 C C2D . CLA FS . 0.5497 0.9894 0.9410 0.1859 0.1211 -0.0337 502 CLA c C2D ? ? 1 +55926 C C3D . CLA FS . 0.5378 0.9830 0.9401 0.1844 0.1147 -0.0322 502 CLA c C3D ? ? 1 +55927 C C4D . CLA FS . 0.5213 0.9825 0.9390 0.1795 0.1148 -0.0297 502 CLA c C4D ? ? 1 +55928 C CMD . CLA FS . 0.5706 0.9929 0.9438 0.1916 0.1228 -0.0367 502 CLA c CMD ? ? 1 +55929 C CAD . CLA FS . 0.5397 0.9782 0.9412 0.1865 0.1085 -0.0326 502 CLA c CAD ? ? 1 +55930 O OBD . CLA FS . 0.5553 0.9788 0.9439 0.1913 0.1073 -0.0348 502 CLA c OBD ? ? 1 +55931 C CBD . CLA FS . 0.5223 0.9742 0.9402 0.1824 0.1042 -0.0300 502 CLA c CBD ? ? 1 +55932 C CGD . CLA FS . 0.5211 0.9827 0.9511 0.1897 0.1046 -0.0307 502 CLA c CGD ? ? 1 +55933 O O1D . CLA FS . 0.5149 0.9924 0.9585 0.1927 0.1093 -0.0308 502 CLA c O1D ? ? 1 +55934 O O2D . CLA FS . 0.5280 0.9799 0.9535 0.1938 0.0995 -0.0315 502 CLA c O2D ? ? 1 +55935 C CED . CLA FS . 0.5343 0.9905 0.9648 0.2036 0.1020 -0.0335 502 CLA c CED ? ? 1 +55936 C C1 . CLA FS . 0.4784 0.9740 0.9361 0.1401 0.0944 -0.0158 502 CLA c C1 ? ? 1 +55937 C C2 . CLA FS . 0.4828 0.9877 0.9448 0.1394 0.1015 -0.0152 502 CLA c C2 ? ? 1 +55938 C C3 . CLA FS . 0.4864 0.9915 0.9458 0.1332 0.1020 -0.0134 502 CLA c C3 ? ? 1 +55939 C C4 . CLA FS . 0.4824 0.9790 0.9349 0.1264 0.0950 -0.0121 502 CLA c C4 ? ? 1 +55940 C C5 . CLA FS . 0.4935 1.0072 0.9568 0.1332 0.1098 -0.0129 502 CLA c C5 ? ? 1 +55941 C C6 . CLA FS . 0.4859 1.0131 0.9629 0.1271 0.1095 -0.0101 502 CLA c C6 ? ? 1 +55942 C C7 . CLA FS . 0.4991 1.0322 0.9772 0.1266 0.1177 -0.0096 502 CLA c C7 ? ? 1 +55943 C C8 . CLA FS . 0.4959 1.0464 0.9918 0.1234 0.1205 -0.0077 502 CLA c C8 ? ? 1 +55944 C C9 . CLA FS . 0.4831 1.0468 0.9968 0.1234 0.1170 -0.0073 502 CLA c C9 ? ? 1 +55945 C C10 . CLA FS . 0.5059 1.0601 1.0015 0.1192 0.1264 -0.0060 502 CLA c C10 ? ? 1 +55946 C C11 . CLA FS . 0.5197 1.0608 0.9989 0.1150 0.1251 -0.0048 502 CLA c C11 ? ? 1 +55947 C C12 . CLA FS . 0.5305 1.0752 1.0087 0.1134 0.1333 -0.0037 502 CLA c C12 ? ? 1 +55948 C C13 . CLA FS . 0.5453 1.0755 1.0046 0.1109 0.1333 -0.0030 502 CLA c C13 ? ? 1 +55949 C C14 . CLA FS . 0.5352 1.0634 0.9939 0.1041 0.1266 -0.0005 502 CLA c C14 ? ? 1 +55950 C C15 . CLA FS . 0.5590 1.0901 1.0141 0.1117 0.1429 -0.0027 502 CLA c C15 ? ? 1 +55951 C C16 . CLA FS . 0.5528 1.0973 1.0216 0.1072 0.1471 -0.0003 502 CLA c C16 ? ? 1 +55952 C C17 . CLA FS . 0.5687 1.1111 1.0300 0.1077 0.1567 0.0000 502 CLA c C17 ? ? 1 +55953 C C18 . CLA FS . 0.5646 1.1156 1.0338 0.1021 0.1612 0.0028 502 CLA c C18 ? ? 1 +55954 C C19 . CLA FS . 0.5720 1.1307 1.0463 0.1034 0.1725 0.0026 502 CLA c C19 ? ? 1 +55955 C C20 . CLA FS . 0.5527 1.1075 1.0288 0.0954 0.1551 0.0056 502 CLA c C20 ? ? 1 +55956 C C1 . GOL FT . 0.8601 1.6563 1.6459 0.2224 -0.0133 -0.0298 528 GOL c C1 ? ? 1 +55957 O O1 . GOL FT . 0.8725 1.6742 1.6636 0.2156 -0.0052 -0.0297 528 GOL c O1 ? ? 1 +55958 C C2 . GOL FT . 0.8633 1.6358 1.6270 0.2268 -0.0147 -0.0275 528 GOL c C2 ? ? 1 +55959 O O2 . GOL FT . 0.8748 1.6384 1.6304 0.2290 -0.0224 -0.0261 528 GOL c O2 ? ? 1 +55960 C C3 . GOL FT . 0.8747 1.6448 1.6352 0.2375 -0.0126 -0.0298 528 GOL c C3 ? ? 1 +55961 O O3 . GOL FT . 0.8703 1.6234 1.6148 0.2454 -0.0177 -0.0289 528 GOL c O3 ? ? 1 +55962 C C1 . LMG FU . 0.4338 1.0718 1.1240 -0.0539 -0.0203 0.0283 101 LMG m C1 ? ? 1 +55963 O O1 . LMG FU . 0.4165 1.0561 1.1082 -0.0553 -0.0218 0.0266 101 LMG m O1 ? ? 1 +55964 C C2 . LMG FU . 0.4387 1.0698 1.1219 -0.0518 -0.0199 0.0296 101 LMG m C2 ? ? 1 +55965 O O2 . LMG FU . 0.4274 1.0597 1.1099 -0.0489 -0.0219 0.0302 101 LMG m O2 ? ? 1 +55966 C C3 . LMG FU . 0.4496 1.0785 1.1308 -0.0503 -0.0186 0.0311 101 LMG m C3 ? ? 1 +55967 O O3 . LMG FU . 0.4647 1.0868 1.1392 -0.0486 -0.0181 0.0319 101 LMG m O3 ? ? 1 +55968 C C4 . LMG FU . 0.4687 1.0974 1.1513 -0.0531 -0.0163 0.0306 101 LMG m C4 ? ? 1 +55969 O O4 . LMG FU . 0.5122 1.1337 1.1897 -0.0553 -0.0142 0.0301 101 LMG m O4 ? ? 1 +55970 C C5 . LMG FU . 0.4606 1.0964 1.1505 -0.0554 -0.0166 0.0291 101 LMG m C5 ? ? 1 +55971 O O5 . LMG FU . 0.4700 1.1124 1.1687 -0.0607 -0.0141 0.0265 101 LMG m O5 ? ? 1 +55972 C C6 . LMG FU . 0.4718 1.1070 1.1631 -0.0586 -0.0138 0.0282 101 LMG m C6 ? ? 1 +55973 O O6 . LMG FU . 0.4395 1.0767 1.1308 -0.0567 -0.0180 0.0276 101 LMG m O6 ? ? 1 +55974 C C7 . LMG FU . 0.4127 1.0591 1.1093 -0.0542 -0.0241 0.0263 101 LMG m C7 ? ? 1 +55975 C C8 . LMG FU . 0.4274 1.0724 1.1210 -0.0525 -0.0261 0.0262 101 LMG m C8 ? ? 1 +55976 C C9 . LMG FU . 0.4793 1.1243 1.1710 -0.0489 -0.0267 0.0282 101 LMG m C9 ? ? 1 +55977 O O7 . LMG FU . 0.3950 1.0450 1.0923 -0.0529 -0.0284 0.0247 101 LMG m O7 ? ? 1 +55978 C C10 . LMG FU . 0.3754 1.0282 1.0767 -0.0559 -0.0286 0.0226 101 LMG m C10 ? ? 1 +55979 O O9 . LMG FU . 0.3914 1.0431 1.0938 -0.0587 -0.0266 0.0218 101 LMG m O9 ? ? 1 +55980 C C11 . LMG FU . 0.3560 1.0130 1.0594 -0.0552 -0.0317 0.0214 101 LMG m C11 ? ? 1 +55981 C C12 . LMG FU . 0.3410 1.0032 1.0503 -0.0578 -0.0327 0.0189 101 LMG m C12 ? ? 1 +55982 C C13 . LMG FU . 0.3523 1.0153 1.0610 -0.0581 -0.0356 0.0170 101 LMG m C13 ? ? 1 +55983 C C14 . LMG FU . 0.3626 1.0213 1.0691 -0.0616 -0.0348 0.0150 101 LMG m C14 ? ? 1 +55984 C C15 . LMG FU . 0.3723 1.0313 1.0776 -0.0619 -0.0379 0.0129 101 LMG m C15 ? ? 1 +55985 C C16 . LMG FU . 0.3861 1.0427 1.0914 -0.0661 -0.0374 0.0103 101 LMG m C16 ? ? 1 +55986 C C17 . LMG FU . 0.3913 1.0431 1.0907 -0.0659 -0.0394 0.0091 101 LMG m C17 ? ? 1 +55987 C C18 . LMG FU . 0.3849 1.0412 1.0854 -0.0638 -0.0435 0.0079 101 LMG m C18 ? ? 1 +55988 C C19 . LMG FU . 0.4028 1.0533 1.0959 -0.0628 -0.0452 0.0073 101 LMG m C19 ? ? 1 +55989 C C20 . LMG FU . 0.4080 1.0613 1.0998 -0.0595 -0.0489 0.0072 101 LMG m C20 ? ? 1 +55990 C C21 . LMG FU . 0.4235 1.0699 1.1065 -0.0574 -0.0496 0.0076 101 LMG m C21 ? ? 1 +55991 C C22 . LMG FU . 0.4434 1.0917 1.1242 -0.0544 -0.0532 0.0072 101 LMG m C22 ? ? 1 +55992 C C23 . LMG FU . 0.4504 1.0921 1.1221 -0.0515 -0.0530 0.0085 101 LMG m C23 ? ? 1 +55993 C C24 . LMG FU . 0.4578 1.1000 1.1260 -0.0493 -0.0570 0.0073 101 LMG m C24 ? ? 1 +55994 C C25 . LMG FU . 0.4575 1.0929 1.1163 -0.0464 -0.0565 0.0085 101 LMG m C25 ? ? 1 +55995 O O8 . LMG FU . 0.5203 1.1633 1.2085 -0.0475 -0.0281 0.0280 101 LMG m O8 ? ? 1 +55996 C C28 . LMG FU . 0.5014 1.1438 1.1876 -0.0446 -0.0283 0.0295 101 LMG m C28 ? ? 1 +55997 O O10 . LMG FU . 0.5139 1.1575 1.2012 -0.0432 -0.0276 0.0309 101 LMG m O10 ? ? 1 +55998 C C29 . LMG FU . 0.4961 1.1361 1.1783 -0.0433 -0.0293 0.0291 101 LMG m C29 ? ? 1 +55999 C C30 . LMG FU . 0.4846 1.1286 1.1688 -0.0430 -0.0314 0.0285 101 LMG m C30 ? ? 1 +56000 C C31 . LMG FU . 0.4855 1.1308 1.1716 -0.0458 -0.0326 0.0262 101 LMG m C31 ? ? 1 +56001 C C32 . LMG FU . 0.4758 1.1232 1.1617 -0.0450 -0.0352 0.0253 101 LMG m C32 ? ? 1 +56002 C C33 . LMG FU . 0.4604 1.1125 1.1493 -0.0431 -0.0364 0.0264 101 LMG m C33 ? ? 1 +56003 C C34 . LMG FU . 0.4630 1.1161 1.1501 -0.0418 -0.0389 0.0257 101 LMG m C34 ? ? 1 +56004 C C35 . LMG FU . 0.4642 1.1186 1.1506 -0.0389 -0.0391 0.0276 101 LMG m C35 ? ? 1 +56005 C C36 . LMG FU . 0.4672 1.1257 1.1585 -0.0386 -0.0388 0.0286 101 LMG m C36 ? ? 1 +56006 C C37 . LMG FU . 0.4930 1.1523 1.1833 -0.0360 -0.0393 0.0303 101 LMG m C37 ? ? 1 +56007 C C38 . LMG FU . 0.5401 1.2030 1.2327 -0.0353 -0.0418 0.0297 101 LMG m C38 ? ? 1 +56008 C C39 . LMG FU . 0.5963 1.2635 1.2951 -0.0366 -0.0420 0.0289 101 LMG m C39 ? ? 1 +56009 C C40 . LMG FU . 0.6612 1.3315 1.3624 -0.0348 -0.0434 0.0295 101 LMG m C40 ? ? 1 +56010 C C41 . LMG FU . 0.7090 1.3829 1.4125 -0.0346 -0.0466 0.0274 101 LMG m C41 ? ? 1 +56011 C C42 . LMG FU . 0.7672 1.4399 1.4667 -0.0318 -0.0489 0.0280 101 LMG m C42 ? ? 1 +56012 C C43 . LMG FU . 0.8224 1.4905 1.5151 -0.0312 -0.0492 0.0281 101 LMG m C43 ? ? 1 +56013 MG MG A CLA FV . 0.3623 0.9047 1.0257 -0.0461 -0.0276 0.0205 406 CLA A MG ? ? 1 +56014 MG MG B CLA FV . 0.3327 0.8753 0.9963 -0.0461 -0.0275 0.0207 406 CLA A MG ? ? 1 +56015 C CHA A CLA FV . 0.3328 0.8672 0.9868 -0.0339 -0.0259 0.0208 406 CLA A CHA ? ? 1 +56016 C CHA B CLA FV . 0.3065 0.8409 0.9604 -0.0340 -0.0259 0.0208 406 CLA A CHA ? ? 1 +56017 C CHB A CLA FV . 0.3636 0.8807 1.0158 -0.0497 -0.0244 0.0209 406 CLA A CHB ? ? 1 +56018 C CHB B CLA FV . 0.3364 0.8536 0.9887 -0.0497 -0.0244 0.0210 406 CLA A CHB ? ? 1 +56019 C CHC A CLA FV . 0.3290 0.8821 1.0044 -0.0563 -0.0270 0.0223 406 CLA A CHC ? ? 1 +56020 C CHC B CLA FV . 0.2979 0.8510 0.9733 -0.0561 -0.0269 0.0225 406 CLA A CHC ? ? 1 +56021 C CHD A CLA FV . 0.3002 0.8664 0.9740 -0.0410 -0.0285 0.0232 406 CLA A CHD ? ? 1 +56022 C CHD B CLA FV . 0.2689 0.8352 0.9428 -0.0409 -0.0284 0.0232 406 CLA A CHD ? ? 1 +56023 N NA A CLA FV . 0.3533 0.8821 1.0082 -0.0423 -0.0258 0.0211 406 CLA A NA ? ? 1 +56024 N NA B CLA FV . 0.3266 0.8554 0.9815 -0.0423 -0.0258 0.0212 406 CLA A NA ? ? 1 +56025 C C1A A CLA FV . 0.3505 0.8772 1.0021 -0.0374 -0.0254 0.0211 406 CLA A C1A ? ? 1 +56026 C C1A B CLA FV . 0.3257 0.8524 0.9773 -0.0375 -0.0254 0.0210 406 CLA A C1A ? ? 1 +56027 C C2A A CLA FV . 0.3650 0.8800 1.0097 -0.0355 -0.0244 0.0209 406 CLA A C2A ? ? 1 +56028 C C2A B CLA FV . 0.3422 0.8572 0.9870 -0.0357 -0.0244 0.0208 406 CLA A C2A ? ? 1 +56029 C C3A A CLA FV . 0.3681 0.8772 1.0119 -0.0411 -0.0242 0.0204 406 CLA A C3A ? ? 1 +56030 C C3A B CLA FV . 0.3436 0.8527 0.9874 -0.0412 -0.0242 0.0204 406 CLA A C3A ? ? 1 +56031 C C4A A CLA FV . 0.3601 0.8792 1.0109 -0.0446 -0.0249 0.0209 406 CLA A C4A ? ? 1 +56032 C C4A B CLA FV . 0.3340 0.8531 0.9848 -0.0447 -0.0249 0.0210 406 CLA A C4A ? ? 1 +56033 C CMA A CLA FV . 0.3728 0.8759 1.0133 -0.0436 -0.0251 0.0172 406 CLA A CMA ? ? 1 +56034 C CMA B CLA FV . 0.3484 0.8511 0.9888 -0.0437 -0.0251 0.0173 406 CLA A CMA ? ? 1 +56035 C CAA A CLA FV . 0.3726 0.8854 1.0154 -0.0310 -0.0232 0.0234 406 CLA A CAA ? ? 1 +56036 C CAA B CLA FV . 0.3536 0.8664 0.9964 -0.0310 -0.0232 0.0233 406 CLA A CAA ? ? 1 +56037 C CBA A CLA FV . 0.3742 0.8917 1.0209 -0.0329 -0.0227 0.0259 406 CLA A CBA ? ? 1 +56038 C CBA B CLA FV . 0.3587 0.8769 1.0056 -0.0322 -0.0228 0.0259 406 CLA A CBA ? ? 1 +56039 C CGA A CLA FV . 0.3808 0.8971 1.0258 -0.0284 -0.0220 0.0284 406 CLA A CGA ? ? 1 +56040 C CGA B CLA FV . 0.3728 0.8863 1.0163 -0.0284 -0.0218 0.0283 406 CLA A CGA ? ? 1 +56041 O O1A A CLA FV . 0.3782 0.8946 1.0218 -0.0233 -0.0221 0.0284 406 CLA A O1A ? ? 1 +56042 O O1A B CLA FV . 0.3742 0.8827 1.0136 -0.0238 -0.0215 0.0282 406 CLA A O1A ? ? 1 +56043 O O2A A CLA FV . 0.3987 0.9141 1.0440 -0.0302 -0.0211 0.0308 406 CLA A O2A ? ? 1 +56044 O O2A B CLA FV . 0.3989 0.9141 1.0441 -0.0301 -0.0211 0.0308 406 CLA A O2A ? ? 1 +56045 N NB A CLA FV . 0.3496 0.8863 1.0136 -0.0520 -0.0261 0.0215 406 CLA A NB ? ? 1 +56046 N NB B CLA FV . 0.3204 0.8572 0.9845 -0.0519 -0.0260 0.0217 406 CLA A NB ? ? 1 +56047 C C1B A CLA FV . 0.3555 0.8816 1.0146 -0.0534 -0.0248 0.0214 406 CLA A C1B ? ? 1 +56048 C C1B B CLA FV . 0.3271 0.8533 0.9863 -0.0533 -0.0248 0.0215 406 CLA A C1B ? ? 1 +56049 C C2B A CLA FV . 0.3571 0.8805 1.0176 -0.0584 -0.0234 0.0220 406 CLA A C2B ? ? 1 +56050 C C2B B CLA FV . 0.3293 0.8527 0.9898 -0.0583 -0.0234 0.0221 406 CLA A C2B ? ? 1 +56051 C C3B A CLA FV . 0.3480 0.8828 1.0158 -0.0601 -0.0242 0.0224 406 CLA A C3B ? ? 1 +56052 C C3B B CLA FV . 0.3209 0.8555 0.9886 -0.0601 -0.0240 0.0225 406 CLA A C3B ? ? 1 +56053 C C4B A CLA FV . 0.3412 0.8830 1.0104 -0.0561 -0.0259 0.0219 406 CLA A C4B ? ? 1 +56054 C C4B B CLA FV . 0.3115 0.8534 0.9808 -0.0561 -0.0258 0.0221 406 CLA A C4B ? ? 1 +56055 C CMB A CLA FV . 0.3689 0.8808 1.0245 -0.0612 -0.0215 0.0222 406 CLA A CMB ? ? 1 +56056 C CMB B CLA FV . 0.3417 0.8534 0.9971 -0.0610 -0.0215 0.0222 406 CLA A CMB ? ? 1 +56057 C CAB A CLA FV . 0.3442 0.8817 1.0166 -0.0653 -0.0231 0.0228 406 CLA A CAB ? ? 1 +56058 C CAB B CLA FV . 0.3191 0.8557 0.9911 -0.0654 -0.0229 0.0229 406 CLA A CAB ? ? 1 +56059 C CBB A CLA FV . 0.3336 0.8814 1.0128 -0.0671 -0.0242 0.0223 406 CLA A CBB ? ? 1 +56060 C CBB B CLA FV . 0.3111 0.8575 0.9900 -0.0679 -0.0239 0.0222 406 CLA A CBB ? ? 1 +56061 N NC A CLA FV . 0.3208 0.8769 0.9930 -0.0478 -0.0279 0.0225 406 CLA A NC ? ? 1 +56062 N NC B CLA FV . 0.2886 0.8448 0.9607 -0.0477 -0.0279 0.0226 406 CLA A NC ? ? 1 +56063 C C1C A CLA FV . 0.3192 0.8785 0.9955 -0.0520 -0.0279 0.0228 406 CLA A C1C ? ? 1 +56064 C C1C B CLA FV . 0.2867 0.8461 0.9630 -0.0518 -0.0278 0.0230 406 CLA A C1C ? ? 1 +56065 C C2C A CLA FV . 0.3054 0.8747 0.9873 -0.0520 -0.0283 0.0240 406 CLA A C2C ? ? 1 +56066 C C2C B CLA FV . 0.2718 0.8412 0.9538 -0.0519 -0.0282 0.0241 406 CLA A C2C ? ? 1 +56067 C C3C A CLA FV . 0.2954 0.8680 0.9765 -0.0476 -0.0288 0.0242 406 CLA A C3C ? ? 1 +56068 C C3C B CLA FV . 0.2605 0.8333 0.9417 -0.0475 -0.0287 0.0243 406 CLA A C3C ? ? 1 +56069 C C4C A CLA FV . 0.3042 0.8688 0.9796 -0.0455 -0.0285 0.0232 406 CLA A C4C ? ? 1 +56070 C C4C B CLA FV . 0.2715 0.8363 0.9470 -0.0454 -0.0284 0.0233 406 CLA A C4C ? ? 1 +56071 C CMC A CLA FV . 0.3015 0.8766 0.9889 -0.0556 -0.0280 0.0246 406 CLA A CMC ? ? 1 +56072 C CMC B CLA FV . 0.2679 0.8429 0.9552 -0.0555 -0.0279 0.0248 406 CLA A CMC ? ? 1 +56073 C CAC A CLA FV . 0.2823 0.8640 0.9672 -0.0458 -0.0293 0.0251 406 CLA A CAC ? ? 1 +56074 C CAC B CLA FV . 0.2456 0.8275 0.9307 -0.0459 -0.0292 0.0252 406 CLA A CAC ? ? 1 +56075 C CBC A CLA FV . 0.2778 0.8642 0.9652 -0.0479 -0.0313 0.0231 406 CLA A CBC ? ? 1 +56076 C CBC B CLA FV . 0.2405 0.8270 0.9278 -0.0477 -0.0312 0.0231 406 CLA A CBC ? ? 1 +56077 N ND A CLA FV . 0.3249 0.8739 0.9891 -0.0393 -0.0270 0.0225 406 CLA A ND ? ? 1 +56078 N ND B CLA FV . 0.2959 0.8450 0.9602 -0.0392 -0.0270 0.0225 406 CLA A ND ? ? 1 +56079 C C1D A CLA FV . 0.3049 0.8637 0.9734 -0.0381 -0.0278 0.0225 406 CLA A C1D ? ? 1 +56080 C C1D B CLA FV . 0.2746 0.8334 0.9431 -0.0380 -0.0278 0.0225 406 CLA A C1D ? ? 1 +56081 C C2D A CLA FV . 0.2965 0.8563 0.9632 -0.0339 -0.0276 0.0218 406 CLA A C2D ? ? 1 +56082 C C2D B CLA FV . 0.2680 0.8278 0.9346 -0.0338 -0.0276 0.0218 406 CLA A C2D ? ? 1 +56083 C C3D A CLA FV . 0.3101 0.8603 0.9712 -0.0323 -0.0268 0.0211 406 CLA A C3D ? ? 1 +56084 C C3D B CLA FV . 0.2830 0.8332 0.9441 -0.0323 -0.0268 0.0210 406 CLA A C3D ? ? 1 +56085 C C4D A CLA FV . 0.3205 0.8652 0.9805 -0.0355 -0.0267 0.0214 406 CLA A C4D ? ? 1 +56086 C C4D B CLA FV . 0.2926 0.8373 0.9526 -0.0355 -0.0267 0.0214 406 CLA A C4D ? ? 1 +56087 C CMD A CLA FV . 0.2845 0.8517 0.9534 -0.0315 -0.0276 0.0217 406 CLA A CMD ? ? 1 +56088 C CMD B CLA FV . 0.2559 0.8232 0.9249 -0.0314 -0.0276 0.0217 406 CLA A CMD ? ? 1 +56089 C CAD A CLA FV . 0.3181 0.8623 0.9742 -0.0284 -0.0260 0.0200 406 CLA A CAD ? ? 1 +56090 C CAD B CLA FV . 0.2924 0.8366 0.9485 -0.0284 -0.0260 0.0200 406 CLA A CAD ? ? 1 +56091 O OBD A CLA FV . 0.3092 0.8565 0.9652 -0.0249 -0.0256 0.0194 406 CLA A OBD ? ? 1 +56092 O OBD B CLA FV . 0.2855 0.8327 0.9414 -0.0249 -0.0256 0.0193 406 CLA A OBD ? ? 1 +56093 C CBD A CLA FV . 0.3315 0.8650 0.9827 -0.0292 -0.0256 0.0198 406 CLA A CBD ? ? 1 +56094 C CBD B CLA FV . 0.3060 0.8396 0.9572 -0.0292 -0.0256 0.0197 406 CLA A CBD ? ? 1 +56095 C CGD A CLA FV . 0.3382 0.8651 0.9846 -0.0300 -0.0261 0.0170 406 CLA A CGD ? ? 1 +56096 C CGD B CLA FV . 0.3130 0.8401 0.9594 -0.0299 -0.0261 0.0170 406 CLA A CGD ? ? 1 +56097 O O1D A CLA FV . 0.3385 0.8679 0.9861 -0.0331 -0.0275 0.0153 406 CLA A O1D ? ? 1 +56098 O O1D B CLA FV . 0.3146 0.8446 0.9621 -0.0324 -0.0274 0.0152 406 CLA A O1D ? ? 1 +56099 O O2D A CLA FV . 0.3479 0.8652 0.9881 -0.0271 -0.0252 0.0162 406 CLA A O2D ? ? 1 +56100 O O2D B CLA FV . 0.3234 0.8403 0.9635 -0.0274 -0.0252 0.0162 406 CLA A O2D ? ? 1 +56101 C CED A CLA FV . 0.3573 0.8684 0.9929 -0.0283 -0.0258 0.0133 406 CLA A CED ? ? 1 +56102 C CED B CLA FV . 0.3331 0.8441 0.9686 -0.0282 -0.0258 0.0133 406 CLA A CED ? ? 1 +56103 C C1 A CLA FV . 0.4218 0.9318 1.0629 -0.0264 -0.0204 0.0331 406 CLA A C1 ? ? 1 +56104 C C1 B CLA FV . 0.4329 0.9434 1.0743 -0.0266 -0.0204 0.0331 406 CLA A C1 ? ? 1 +56105 C C2 A CLA FV . 0.4449 0.9433 1.0803 -0.0294 -0.0189 0.0339 406 CLA A C2 ? ? 1 +56106 C C2 B CLA FV . 0.4656 0.9643 1.1011 -0.0294 -0.0189 0.0340 406 CLA A C2 ? ? 1 +56107 C C3 A CLA FV . 0.4777 0.9651 1.1057 -0.0261 -0.0182 0.0345 406 CLA A C3 ? ? 1 +56108 C C3 B CLA FV . 0.5157 1.0033 1.1438 -0.0261 -0.0182 0.0346 406 CLA A C3 ? ? 1 +56109 C C4 A CLA FV . 0.4761 0.9634 1.1021 -0.0191 -0.0191 0.0343 406 CLA A C4 ? ? 1 +56110 C C4 B CLA FV . 0.5121 0.9991 1.1380 -0.0192 -0.0191 0.0343 406 CLA A C4 ? ? 1 +56111 C C5 A CLA FV . 0.5154 0.9903 1.1371 -0.0294 -0.0164 0.0355 406 CLA A C5 ? ? 1 +56112 C C5 B CLA FV . 0.5756 1.0508 1.1975 -0.0295 -0.0164 0.0355 406 CLA A C5 ? ? 1 +56113 C C6 A CLA FV . 0.5478 1.0142 1.1657 -0.0317 -0.0161 0.0329 406 CLA A C6 ? ? 1 +56114 C C6 B CLA FV . 0.6311 1.0977 1.2492 -0.0318 -0.0161 0.0330 406 CLA A C6 ? ? 1 +56115 C C7 A CLA FV . 0.5696 1.0447 1.1942 -0.0362 -0.0172 0.0304 406 CLA A C7 ? ? 1 +56116 C C7 B CLA FV . 0.6823 1.1573 1.3069 -0.0363 -0.0172 0.0303 406 CLA A C7 ? ? 1 +56117 C C8 A CLA FV . 0.6016 1.0694 1.2237 -0.0405 -0.0171 0.0276 406 CLA A C8 ? ? 1 +56118 C C8 B CLA FV . 0.7392 1.2068 1.3612 -0.0406 -0.0171 0.0276 406 CLA A C8 ? ? 1 +56119 C C9 A CLA FV . 0.5966 1.0685 1.2206 -0.0400 -0.0189 0.0245 406 CLA A C9 ? ? 1 +56120 C C9 B CLA FV . 0.7276 1.1995 1.3517 -0.0401 -0.0189 0.0245 406 CLA A C9 ? ? 1 +56121 C C10 A CLA FV . 0.6435 1.0981 1.2595 -0.0442 -0.0151 0.0282 406 CLA A C10 ? ? 1 +56122 C C10 B CLA FV . 0.8192 1.2736 1.4351 -0.0443 -0.0151 0.0281 406 CLA A C10 ? ? 1 +56123 C C11 A CLA FV . 0.6847 1.1266 1.2937 -0.0449 -0.0148 0.0260 406 CLA A C11 ? ? 1 +56124 C C11 B CLA FV . 0.9006 1.3426 1.5097 -0.0449 -0.0148 0.0260 406 CLA A C11 ? ? 1 +56125 C C12 A CLA FV . 0.7211 1.1543 1.3278 -0.0515 -0.0128 0.0261 406 CLA A C12 ? ? 1 +56126 C C12 B CLA FV . 0.9800 1.4131 1.5866 -0.0515 -0.0128 0.0260 406 CLA A C12 ? ? 1 +56127 C C13 A CLA FV . 0.7552 1.1737 1.3538 -0.0527 -0.0120 0.0243 406 CLA A C13 ? ? 1 +56128 C C13 B CLA FV . 1.0461 1.4645 1.6446 -0.0526 -0.0121 0.0242 406 CLA A C13 ? ? 1 +56129 C C14 A CLA FV . 0.7552 1.1763 1.3554 -0.0534 -0.0142 0.0205 406 CLA A C14 ? ? 1 +56130 C C14 B CLA FV . 1.0486 1.4695 1.6488 -0.0535 -0.0143 0.0204 406 CLA A C14 ? ? 1 +56131 C C15 A CLA FV . 0.7697 1.1798 1.3664 -0.0598 -0.0097 0.0245 406 CLA A C15 ? ? 1 +56132 C C15 B CLA FV . 1.0713 1.4812 1.6678 -0.0597 -0.0097 0.0244 406 CLA A C15 ? ? 1 +56133 C C16 A CLA FV . 0.7932 1.1852 1.3787 -0.0585 -0.0076 0.0253 406 CLA A C16 ? ? 1 +56134 C C16 B CLA FV . 1.1003 1.4923 1.6857 -0.0583 -0.0076 0.0254 406 CLA A C16 ? ? 1 +56135 C C17 A CLA FV . 0.8032 1.1877 1.3859 -0.0632 -0.0044 0.0276 406 CLA A C17 ? ? 1 +56136 C C17 B CLA FV . 1.1068 1.4913 1.6894 -0.0629 -0.0044 0.0278 406 CLA A C17 ? ? 1 +56137 C C18 A CLA FV . 0.8219 1.1909 1.3930 -0.0585 -0.0025 0.0303 406 CLA A C18 ? ? 1 +56138 C C18 B CLA FV . 1.1178 1.4869 1.6888 -0.0581 -0.0026 0.0304 406 CLA A C18 ? ? 1 +56139 C C19 A CLA FV . 0.8332 1.1938 1.3997 -0.0612 0.0009 0.0335 406 CLA A C19 ? ? 1 +56140 C C19 B CLA FV . 1.1187 1.4798 1.6853 -0.0608 0.0008 0.0337 406 CLA A C19 ? ? 1 +56141 C C20 A CLA FV . 0.8256 1.1850 1.3888 -0.0524 -0.0037 0.0292 406 CLA A C20 ? ? 1 +56142 C C20 B CLA FV . 1.1122 1.4711 1.6750 -0.0521 -0.0036 0.0293 406 CLA A C20 ? ? 1 +56143 MG MG . CLA FW . 0.2171 0.8065 0.8810 -0.0669 0.0405 0.0666 612 CLA B MG ? ? 1 +56144 C CHA . CLA FW . 0.2113 0.8179 0.9011 -0.0789 0.0475 0.0617 612 CLA B CHA ? ? 1 +56145 C CHB . CLA FW . 0.1929 0.8045 0.8706 -0.0616 0.0337 0.0628 612 CLA B CHB ? ? 1 +56146 C CHC . CLA FW . 0.2227 0.7935 0.8599 -0.0557 0.0343 0.0712 612 CLA B CHC ? ? 1 +56147 C CHD . CLA FW . 0.2480 0.8069 0.8911 -0.0736 0.0520 0.0719 612 CLA B CHD ? ? 1 +56148 N NA . CLA FW . 0.2038 0.8102 0.8848 -0.0697 0.0407 0.0630 612 CLA B NA ? ? 1 +56149 C C1A . CLA FW . 0.2020 0.8142 0.8922 -0.0740 0.0431 0.0613 612 CLA B C1A ? ? 1 +56150 C C2A . CLA FW . 0.1895 0.8148 0.8912 -0.0736 0.0404 0.0585 612 CLA B C2A ? ? 1 +56151 C C3A . CLA FW . 0.1831 0.8088 0.8804 -0.0682 0.0357 0.0590 612 CLA B C3A ? ? 1 +56152 C C4A . CLA FW . 0.1936 0.8075 0.8780 -0.0663 0.0368 0.0618 612 CLA B C4A ? ? 1 +56153 C CMA . CLA FW . 0.1741 0.8036 0.8757 -0.0667 0.0297 0.0575 612 CLA B CMA ? ? 1 +56154 C CAA . CLA FW . 0.1898 0.8218 0.8976 -0.0759 0.0453 0.0575 612 CLA B CAA ? ? 1 +56155 C CBA . CLA FW . 0.1977 0.8243 0.8963 -0.0734 0.0484 0.0597 612 CLA B CBA ? ? 1 +56156 C CGA . CLA FW . 0.2006 0.8332 0.9049 -0.0759 0.0539 0.0587 612 CLA B CGA ? ? 1 +56157 O O1A . CLA FW . 0.2130 0.8405 0.9143 -0.0792 0.0597 0.0599 612 CLA B O1A ? ? 1 +56158 O O2A . CLA FW . 0.1963 0.8404 0.9094 -0.0743 0.0526 0.0565 612 CLA B O2A ? ? 1 +56159 N NB . CLA FW . 0.2097 0.8005 0.8676 -0.0598 0.0351 0.0671 612 CLA B NB ? ? 1 +56160 C C1B . CLA FW . 0.1987 0.7996 0.8639 -0.0584 0.0324 0.0652 612 CLA B C1B ? ? 1 +56161 C C2B . CLA FW . 0.1954 0.7956 0.8550 -0.0535 0.0285 0.0657 612 CLA B C2B ? ? 1 +56162 C C3B . CLA FW . 0.2057 0.7940 0.8535 -0.0518 0.0286 0.0681 612 CLA B C3B ? ? 1 +56163 C C4B . CLA FW . 0.2113 0.7945 0.8590 -0.0559 0.0327 0.0688 612 CLA B C4B ? ? 1 +56164 C CMB . CLA FW . 0.1860 0.7951 0.8510 -0.0512 0.0254 0.0640 612 CLA B CMB ? ? 1 +56165 C CAB . CLA FW . 0.2073 0.7896 0.8452 -0.0471 0.0252 0.0695 612 CLA B CAB ? ? 1 +56166 C CBB . CLA FW . 0.2001 0.7873 0.8388 -0.0440 0.0218 0.0685 612 CLA B CBB ? ? 1 +56167 N NC . CLA FW . 0.2327 0.8025 0.8777 -0.0652 0.0430 0.0707 612 CLA B NC ? ? 1 +56168 C C1C . CLA FW . 0.2327 0.7970 0.8683 -0.0600 0.0393 0.0722 612 CLA B C1C ? ? 1 +56169 C C2C . CLA FW . 0.2466 0.7967 0.8688 -0.0586 0.0407 0.0749 612 CLA B C2C ? ? 1 +56170 C C3C . CLA FW . 0.2529 0.7989 0.8763 -0.0639 0.0462 0.0753 612 CLA B C3C ? ? 1 +56171 C C4C . CLA FW . 0.2435 0.8024 0.8813 -0.0676 0.0469 0.0725 612 CLA B C4C ? ? 1 +56172 C CMC . CLA FW . 0.2531 0.7948 0.8632 -0.0531 0.0373 0.0769 612 CLA B CMC ? ? 1 +56173 C CAC . CLA FW . 0.2682 0.7997 0.8804 -0.0652 0.0499 0.0778 612 CLA B CAC ? ? 1 +56174 C CBC . CLA FW . 0.2668 0.7955 0.8811 -0.0661 0.0471 0.0772 612 CLA B CBC ? ? 1 +56175 N ND . CLA FW . 0.2266 0.8106 0.8916 -0.0742 0.0487 0.0671 612 CLA B ND ? ? 1 +56176 C C1D . CLA FW . 0.2383 0.8102 0.8957 -0.0767 0.0518 0.0689 612 CLA B C1D ? ? 1 +56177 C C2D . CLA FW . 0.2402 0.8143 0.9054 -0.0830 0.0559 0.0675 612 CLA B C2D ? ? 1 +56178 C C3D . CLA FW . 0.2291 0.8179 0.9077 -0.0836 0.0536 0.0645 612 CLA B C3D ? ? 1 +56179 C C4D . CLA FW . 0.2215 0.8144 0.8989 -0.0784 0.0493 0.0645 612 CLA B C4D ? ? 1 +56180 C CMD . CLA FW . 0.2510 0.8159 0.9128 -0.0879 0.0607 0.0684 612 CLA B CMD ? ? 1 +56181 C CAD . CLA FW . 0.2237 0.8241 0.9166 -0.0877 0.0542 0.0613 612 CLA B CAD ? ? 1 +56182 O OBD . CLA FW . 0.2287 0.8286 0.9263 -0.0932 0.0576 0.0603 612 CLA B OBD ? ? 1 +56183 C CBD . CLA FW . 0.2122 0.8246 0.9127 -0.0845 0.0500 0.0594 612 CLA B CBD ? ? 1 +56184 C CGD . CLA FW . 0.2045 0.8244 0.9141 -0.0848 0.0448 0.0568 612 CLA B CGD ? ? 1 +56185 O O1D . CLA FW . 0.2024 0.8337 0.9229 -0.0857 0.0436 0.0543 612 CLA B O1D ? ? 1 +56186 O O2D . CLA FW . 0.2029 0.8164 0.9083 -0.0839 0.0410 0.0573 612 CLA B O2D ? ? 1 +56187 C CED . CLA FW . 0.1953 0.8156 0.9094 -0.0849 0.0370 0.0547 612 CLA B CED ? ? 1 +56188 C C1 . CLA FW . 0.2017 0.8537 0.9238 -0.0776 0.0575 0.0549 612 CLA B C1 ? ? 1 +56189 C C2 . CLA FW . 0.1993 0.8587 0.9332 -0.0812 0.0559 0.0523 612 CLA B C2 ? ? 1 +56190 C C3 . CLA FW . 0.1939 0.8651 0.9387 -0.0804 0.0529 0.0495 612 CLA B C3 ? ? 1 +56191 C C4 . CLA FW . 0.1898 0.8668 0.9354 -0.0759 0.0513 0.0490 612 CLA B C4 ? ? 1 +56192 C C5 . CLA FW . 0.1919 0.8701 0.9478 -0.0840 0.0510 0.0469 612 CLA B C5 ? ? 1 +56193 C C6 . CLA FW . 0.1876 0.8683 0.9447 -0.0806 0.0435 0.0459 612 CLA B C6 ? ? 1 +56194 C C7 . CLA FW . 0.1918 0.8612 0.9384 -0.0795 0.0410 0.0482 612 CLA B C7 ? ? 1 +56195 C C8 . CLA FW . 0.1847 0.8537 0.9282 -0.0750 0.0345 0.0483 612 CLA B C8 ? ? 1 +56196 C C9 . CLA FW . 0.1891 0.8489 0.9256 -0.0750 0.0320 0.0497 612 CLA B C9 ? ? 1 +56197 C C10 . CLA FW . 0.1777 0.8551 0.9255 -0.0711 0.0311 0.0469 612 CLA B C10 ? ? 1 +56198 C C11 . CLA FW . 0.1685 0.8506 0.9208 -0.0694 0.0250 0.0451 612 CLA B C11 ? ? 1 +56199 C C12 . CLA FW . 0.1633 0.8556 0.9277 -0.0718 0.0245 0.0421 612 CLA B C12 ? ? 1 +56200 C C13 . CLA FW . 0.1580 0.8506 0.9244 -0.0719 0.0194 0.0408 612 CLA B C13 ? ? 1 +56201 C C14 . CLA FW . 0.1530 0.8465 0.9166 -0.0671 0.0145 0.0409 612 CLA B C14 ? ? 1 +56202 C C15 . CLA FW . 0.1535 0.8544 0.9308 -0.0750 0.0188 0.0378 612 CLA B C15 ? ? 1 +56203 C C16 . CLA FW . 0.1590 0.8580 0.9389 -0.0805 0.0234 0.0376 612 CLA B C16 ? ? 1 +56204 C C17 . CLA FW . 0.1637 0.8519 0.9360 -0.0822 0.0235 0.0394 612 CLA B C17 ? ? 1 +56205 C C18 . CLA FW . 0.1720 0.8567 0.9457 -0.0878 0.0282 0.0393 612 CLA B C18 ? ? 1 +56206 C C19 . CLA FW . 0.1800 0.8685 0.9584 -0.0910 0.0342 0.0390 612 CLA B C19 ? ? 1 +56207 C C20 . CLA FW . 0.1762 0.8549 0.9483 -0.0908 0.0268 0.0390 612 CLA B C20 ? ? 1 +56208 MG MG . CLA FX . 0.2910 1.1134 1.1815 0.1870 0.0039 -0.0537 507 CLA C MG ? ? 1 +56209 C CHA . CLA FX . 0.2762 1.1335 1.1956 0.1885 -0.0110 -0.0566 507 CLA C CHA ? ? 1 +56210 C CHB . CLA FX . 0.2994 1.0816 1.1537 0.1821 -0.0083 -0.0427 507 CLA C CHB ? ? 1 +56211 C CHC . CLA FX . 0.2958 1.0877 1.1595 0.1748 0.0196 -0.0503 507 CLA C CHC ? ? 1 +56212 C CHD . CLA FX . 0.2742 1.1428 1.2059 0.1805 0.0202 -0.0641 507 CLA C CHD ? ? 1 +56213 N NA . CLA FX . 0.2926 1.1122 1.1794 0.1859 -0.0072 -0.0501 507 CLA C NA ? ? 1 +56214 C C1A . CLA FX . 0.2911 1.1248 1.1896 0.1876 -0.0124 -0.0517 507 CLA C C1A ? ? 1 +56215 C C2A . CLA FX . 0.3029 1.1276 1.1926 0.1901 -0.0209 -0.0485 507 CLA C C2A ? ? 1 +56216 C C3A . CLA FX . 0.3072 1.1084 1.1769 0.1900 -0.0199 -0.0446 507 CLA C C3A ? ? 1 +56217 C C4A . CLA FX . 0.3007 1.1013 1.1707 0.1855 -0.0111 -0.0458 507 CLA C C4A ? ? 1 +56218 C CMA . CLA FX . 0.3196 1.1106 1.1809 0.2013 -0.0243 -0.0444 507 CLA C CMA ? ? 1 +56219 C CAA . CLA FX . 0.3084 1.1388 1.2018 0.1815 -0.0237 -0.0469 507 CLA C CAA ? ? 1 +56220 C CBA . CLA FX . 0.3201 1.1405 1.2048 0.1707 -0.0187 -0.0438 507 CLA C CBA ? ? 1 +56221 C CGA . CLA FX . 0.3367 1.1642 1.2266 0.1615 -0.0198 -0.0428 507 CLA C CGA ? ? 1 +56222 O O1A . CLA FX . 0.3438 1.1796 1.2400 0.1623 -0.0255 -0.0432 507 CLA C O1A ? ? 1 +56223 O O2A . CLA FX . 0.3716 1.1951 1.2581 0.1514 -0.0138 -0.0412 507 CLA C O2A ? ? 1 +56224 N NB . CLA FX . 0.2949 1.0881 1.1596 0.1793 0.0053 -0.0476 507 CLA C NB ? ? 1 +56225 C C1B . CLA FX . 0.2965 1.0749 1.1480 0.1787 -0.0003 -0.0436 507 CLA C C1B ? ? 1 +56226 C C2B . CLA FX . 0.2983 1.0571 1.1329 0.1735 0.0022 -0.0401 507 CLA C C2B ? ? 1 +56227 C C3B . CLA FX . 0.2975 1.0597 1.1351 0.1715 0.0102 -0.0425 507 CLA C C3B ? ? 1 +56228 C C4B . CLA FX . 0.2953 1.0781 1.1510 0.1756 0.0117 -0.0469 507 CLA C C4B ? ? 1 +56229 C CMB . CLA FX . 0.3008 1.0416 1.1197 0.1711 -0.0024 -0.0355 507 CLA C CMB ? ? 1 +56230 C CAB . CLA FX . 0.3028 1.0512 1.1282 0.1667 0.0157 -0.0412 507 CLA C CAB ? ? 1 +56231 C CBB . CLA FX . 0.3050 1.0349 1.1145 0.1635 0.0141 -0.0375 507 CLA C CBB ? ? 1 +56232 N NC . CLA FX . 0.2840 1.1126 1.1800 0.1793 0.0167 -0.0562 507 CLA C NC ? ? 1 +56233 C C1C . CLA FX . 0.2875 1.1018 1.1708 0.1760 0.0221 -0.0546 507 CLA C C1C ? ? 1 +56234 C C2C . CLA FX . 0.2833 1.1050 1.1730 0.1721 0.0312 -0.0572 507 CLA C C2C ? ? 1 +56235 C C3C . CLA FX . 0.2763 1.1207 1.1863 0.1735 0.0318 -0.0612 507 CLA C C3C ? ? 1 +56236 C C4C . CLA FX . 0.2789 1.1256 1.1910 0.1784 0.0225 -0.0604 507 CLA C C4C ? ? 1 +56237 C CMC . CLA FX . 0.2871 1.0959 1.1649 0.1678 0.0381 -0.0561 507 CLA C CMC ? ? 1 +56238 C CAC . CLA FX . 0.2706 1.1313 1.1950 0.1709 0.0399 -0.0653 507 CLA C CAC ? ? 1 +56239 C CBC . CLA FX . 0.2590 1.1277 1.1898 0.1598 0.0428 -0.0647 507 CLA C CBC ? ? 1 +56240 N ND . CLA FX . 0.2781 1.1323 1.1960 0.1826 0.0049 -0.0584 507 CLA C ND ? ? 1 +56241 C C1D . CLA FX . 0.2726 1.1450 1.2072 0.1834 0.0111 -0.0633 507 CLA C C1D ? ? 1 +56242 C C2D . CLA FX . 0.2678 1.1623 1.2220 0.1855 0.0074 -0.0670 507 CLA C C2D ? ? 1 +56243 C C3D . CLA FX . 0.2671 1.1539 1.2136 0.1879 -0.0019 -0.0641 507 CLA C C3D ? ? 1 +56244 C C4D . CLA FX . 0.2741 1.1391 1.2012 0.1872 -0.0025 -0.0596 507 CLA C C4D ? ? 1 +56245 C CMD . CLA FX . 0.2620 1.1810 1.2384 0.1861 0.0107 -0.0726 507 CLA C CMD ? ? 1 +56246 C CAD . CLA FX . 0.2633 1.1582 1.2160 0.1912 -0.0108 -0.0644 507 CLA C CAD ? ? 1 +56247 O OBD . CLA FX . 0.2577 1.1728 1.2282 0.1933 -0.0130 -0.0685 507 CLA C OBD ? ? 1 +56248 C CBD . CLA FX . 0.2667 1.1420 1.2013 0.1924 -0.0170 -0.0595 507 CLA C CBD ? ? 1 +56249 C CGD . CLA FX . 0.2716 1.1461 1.2055 0.2051 -0.0229 -0.0609 507 CLA C CGD ? ? 1 +56250 O O1D . CLA FX . 0.2692 1.1434 1.2017 0.2094 -0.0308 -0.0600 507 CLA C O1D ? ? 1 +56251 O O2D . CLA FX . 0.2773 1.1517 1.2123 0.2132 -0.0189 -0.0635 507 CLA C O2D ? ? 1 +56252 C CED . CLA FX . 0.2882 1.1621 1.2229 0.2257 -0.0240 -0.0651 507 CLA C CED ? ? 1 +56253 C C1 . CLA FX . 0.4135 1.2393 1.3010 0.1428 -0.0151 -0.0393 507 CLA C C1 ? ? 1 +56254 C C2 . CLA FX . 0.4536 1.2897 1.3505 0.1350 -0.0081 -0.0412 507 CLA C C2 ? ? 1 +56255 C C3 . CLA FX . 0.5309 1.3846 1.4432 0.1319 -0.0081 -0.0440 507 CLA C C3 ? ? 1 +56256 C C4 . CLA FX . 0.5408 1.4051 1.4618 0.1365 -0.0157 -0.0456 507 CLA C C4 ? ? 1 +56257 C C5 . CLA FX . 0.5966 1.4587 1.5167 0.1238 -0.0003 -0.0457 507 CLA C C5 ? ? 1 +56258 C C6 . CLA FX . 0.6529 1.5246 1.5810 0.1157 -0.0015 -0.0457 507 CLA C C6 ? ? 1 +56259 C C7 . CLA FX . 0.7372 1.5953 1.6522 0.1104 -0.0051 -0.0410 507 CLA C C7 ? ? 1 +56260 C C8 . CLA FX . 0.8327 1.6836 1.7411 0.1004 0.0000 -0.0385 507 CLA C C8 ? ? 1 +56261 C C9 . CLA FX . 0.8411 1.7043 1.7604 0.0922 0.0027 -0.0401 507 CLA C C9 ? ? 1 +56262 C C10 . CLA FX . 0.9036 1.7355 1.7950 0.1002 0.0025 -0.0352 507 CLA C C10 ? ? 1 +56263 C C11 . CLA FX . 0.9562 1.7825 1.8425 0.0915 0.0089 -0.0337 507 CLA C C11 ? ? 1 +56264 C C12 . CLA FX . 1.0125 1.8191 1.8809 0.0903 0.0085 -0.0296 507 CLA C C12 ? ? 1 +56265 C C13 . CLA FX . 0.9899 1.7895 1.8515 0.0826 0.0146 -0.0281 507 CLA C C13 ? ? 1 +56266 C C14 . CLA FX . 0.9424 1.7242 1.7877 0.0805 0.0123 -0.0240 507 CLA C C14 ? ? 1 +56267 C C15 . CLA FX . 0.9640 1.7658 1.8279 0.0844 0.0216 -0.0307 507 CLA C C15 ? ? 1 +56268 C C16 . CLA FX . 0.9272 1.7161 1.7788 0.0797 0.0266 -0.0287 507 CLA C C16 ? ? 1 +56269 C C17 . CLA FX . 0.9103 1.7015 1.7641 0.0818 0.0338 -0.0314 507 CLA C C17 ? ? 1 +56270 C C18 . CLA FX . 0.8811 1.6892 1.7501 0.0799 0.0391 -0.0351 507 CLA C C18 ? ? 1 +56271 C C19 . CLA FX . 0.8739 1.6886 1.7482 0.0712 0.0417 -0.0348 507 CLA C C19 ? ? 1 +56272 C C20 . CLA FX . 0.8678 1.6873 1.7480 0.0875 0.0405 -0.0391 507 CLA C C20 ? ? 1 +56273 C C1 A GOL FY . 0.4129 0.9289 0.9603 -0.0077 -0.0187 -0.0034 203 GOL V C1 ? ? 1 +56274 C C1 B GOL FY . 0.4801 0.9956 1.0263 -0.0074 -0.0180 -0.0033 203 GOL V C1 ? ? 1 +56275 O O1 A GOL FY . 0.4010 0.9241 0.9578 -0.0079 -0.0144 -0.0014 203 GOL V O1 ? ? 1 +56276 O O1 B GOL FY . 0.4681 0.9906 1.0235 -0.0076 -0.0135 -0.0013 203 GOL V O1 ? ? 1 +56277 C C2 A GOL FY . 0.4181 0.9292 0.9550 -0.0065 -0.0179 -0.0032 203 GOL V C2 ? ? 1 +56278 C C2 B GOL FY . 0.4798 0.9904 1.0155 -0.0062 -0.0173 -0.0031 203 GOL V C2 ? ? 1 +56279 O O2 A GOL FY . 0.4264 0.9311 0.9547 -0.0041 -0.0130 -0.0041 203 GOL V O2 ? ? 1 +56280 O O2 B GOL FY . 0.4817 0.9864 1.0092 -0.0039 -0.0120 -0.0037 203 GOL V O2 ? ? 1 +56281 C C3 A GOL FY . 0.4205 0.9273 0.9505 -0.0068 -0.0241 -0.0048 203 GOL V C3 ? ? 1 +56282 C C3 B GOL FY . 0.4786 0.9843 1.0068 -0.0064 -0.0236 -0.0048 203 GOL V C3 ? ? 1 +56283 O O3 A GOL FY . 0.4112 0.9222 0.9433 -0.0076 -0.0264 -0.0030 203 GOL V O3 ? ? 1 +56284 O O3 B GOL FY . 0.4632 0.9733 0.9942 -0.0075 -0.0267 -0.0033 203 GOL V O3 ? ? 1 +56285 MG MG . CLA FZ . 0.1117 0.9676 1.0441 -0.1215 -0.0171 -0.0533 606 CLA b MG ? ? 1 +56286 C CHA . CLA FZ . 0.1130 0.9587 1.0355 -0.1159 -0.0032 -0.0447 606 CLA b CHA ? ? 1 +56287 C CHB . CLA FZ . 0.1129 0.9382 1.0096 -0.1119 -0.0233 -0.0425 606 CLA b CHB ? ? 1 +56288 C CHC . CLA FZ . 0.1095 0.9841 1.0537 -0.1161 -0.0382 -0.0616 606 CLA b CHC ? ? 1 +56289 C CHD . CLA FZ . 0.1105 1.0072 1.0858 -0.1256 -0.0135 -0.0651 606 CLA b CHD ? ? 1 +56290 N NA . CLA FZ . 0.1117 0.9513 1.0257 -0.1149 -0.0144 -0.0453 606 CLA b NA ? ? 1 +56291 C C1A . CLA FZ . 0.1135 0.9502 1.0252 -0.1137 -0.0089 -0.0426 606 CLA b C1A ? ? 1 +56292 C C2A . CLA FZ . 0.1188 0.9402 1.0143 -0.1106 -0.0076 -0.0369 606 CLA b C2A ? ? 1 +56293 C C3A . CLA FZ . 0.1165 0.9316 1.0043 -0.1097 -0.0135 -0.0362 606 CLA b C3A ? ? 1 +56294 C C4A . CLA FZ . 0.1143 0.9419 1.0147 -0.1124 -0.0174 -0.0417 606 CLA b C4A ? ? 1 +56295 C CMA . CLA FZ . 0.1209 0.9220 0.9973 -0.1143 -0.0099 -0.0340 606 CLA b CMA ? ? 1 +56296 C CAA . CLA FZ . 0.1201 0.9421 1.0133 -0.1036 -0.0083 -0.0339 606 CLA b CAA ? ? 1 +56297 C CBA . CLA FZ . 0.1234 0.9561 1.0238 -0.0977 -0.0154 -0.0358 606 CLA b CBA ? ? 1 +56298 C CGA . CLA FZ . 0.1345 0.9594 1.0238 -0.0914 -0.0206 -0.0321 606 CLA b CGA ? ? 1 +56299 O O1A . CLA FZ . 0.1405 0.9529 1.0174 -0.0914 -0.0194 -0.0283 606 CLA b O1A ? ? 1 +56300 O O2A . CLA FZ . 0.1493 0.9824 1.0433 -0.0852 -0.0269 -0.0331 606 CLA b O2A ? ? 1 +56301 N NB . CLA FZ . 0.1098 0.9609 1.0325 -0.1152 -0.0284 -0.0522 606 CLA b NB ? ? 1 +56302 C C1B . CLA FZ . 0.1119 0.9488 1.0190 -0.1123 -0.0292 -0.0474 606 CLA b C1B ? ? 1 +56303 C C2B . CLA FZ . 0.1106 0.9447 1.0114 -0.1083 -0.0369 -0.0470 606 CLA b C2B ? ? 1 +56304 C C3B . CLA FZ . 0.1106 0.9587 1.0247 -0.1094 -0.0415 -0.0526 606 CLA b C3B ? ? 1 +56305 C C4B . CLA FZ . 0.1100 0.9682 1.0374 -0.1139 -0.0358 -0.0556 606 CLA b C4B ? ? 1 +56306 C CMB . CLA FZ . 0.1105 0.9312 0.9958 -0.1044 -0.0393 -0.0425 606 CLA b CMB ? ? 1 +56307 C CAB . CLA FZ . 0.1122 0.9615 1.0239 -0.1059 -0.0500 -0.0540 606 CLA b CAB ? ? 1 +56308 C CBB . CLA FZ . 0.1142 0.9759 1.0366 -0.1052 -0.0554 -0.0587 606 CLA b CBB ? ? 1 +56309 N NC . CLA FZ . 0.1106 0.9904 1.0650 -0.1208 -0.0243 -0.0612 606 CLA b NC ? ? 1 +56310 C C1C . CLA FZ . 0.1098 0.9949 1.0670 -0.1191 -0.0325 -0.0641 606 CLA b C1C ? ? 1 +56311 C C2C . CLA FZ . 0.1103 1.0137 1.0852 -0.1195 -0.0361 -0.0701 606 CLA b C2C ? ? 1 +56312 C C3C . CLA FZ . 0.1087 1.0189 1.0933 -0.1224 -0.0286 -0.0712 606 CLA b C3C ? ? 1 +56313 C C4C . CLA FZ . 0.1096 1.0042 1.0803 -0.1234 -0.0219 -0.0656 606 CLA b C4C ? ? 1 +56314 C CMC . CLA FZ . 0.1116 1.0247 1.0933 -0.1174 -0.0452 -0.0745 606 CLA b CMC ? ? 1 +56315 C CAC . CLA FZ . 0.1074 1.0364 1.1115 -0.1241 -0.0280 -0.0769 606 CLA b CAC ? ? 1 +56316 C CBC . CLA FZ . 0.1022 1.0404 1.1114 -0.1152 -0.0320 -0.0766 606 CLA b CBC ? ? 1 +56317 N ND . CLA FZ . 0.1097 0.9788 1.0554 -0.1193 -0.0115 -0.0544 606 CLA b ND ? ? 1 +56318 C C1D . CLA FZ . 0.1114 0.9949 1.0738 -0.1236 -0.0082 -0.0594 606 CLA b C1D ? ? 1 +56319 C C2D . CLA FZ . 0.1123 0.9967 1.0771 -0.1241 -0.0003 -0.0581 606 CLA b C2D ? ? 1 +56320 C C3D . CLA FZ . 0.1126 0.9809 1.0605 -0.1211 0.0013 -0.0522 606 CLA b C3D ? ? 1 +56321 C C4D . CLA FZ . 0.1124 0.9730 1.0509 -0.1193 -0.0045 -0.0505 606 CLA b C4D ? ? 1 +56322 C CMD . CLA FZ . 0.1148 1.0107 1.0932 -0.1270 0.0059 -0.0613 606 CLA b CMD ? ? 1 +56323 C CAD . CLA FZ . 0.1159 0.9739 1.0537 -0.1196 0.0072 -0.0475 606 CLA b CAD ? ? 1 +56324 O OBD . CLA FZ . 0.1193 0.9809 1.0621 -0.1209 0.0138 -0.0480 606 CLA b OBD ? ? 1 +56325 C CBD . CLA FZ . 0.1145 0.9574 1.0355 -0.1161 0.0043 -0.0425 606 CLA b CBD ? ? 1 +56326 C CGD . CLA FZ . 0.1214 0.9506 1.0318 -0.1209 0.0112 -0.0397 606 CLA b CGD ? ? 1 +56327 O O1D . CLA FZ . 0.1284 0.9562 1.0409 -0.1279 0.0156 -0.0416 606 CLA b O1D ? ? 1 +56328 O O2D . CLA FZ . 0.1255 0.9419 1.0220 -0.1175 0.0133 -0.0345 606 CLA b O2D ? ? 1 +56329 C CED . CLA FZ . 0.1331 0.9368 1.0198 -0.1223 0.0194 -0.0323 606 CLA b CED ? ? 1 +56330 C C1 . CLA FZ . 0.1661 0.9926 1.0504 -0.0793 -0.0319 -0.0299 606 CLA b C1 ? ? 1 +56331 C C2 . CLA FZ . 0.1831 1.0198 1.0746 -0.0734 -0.0374 -0.0317 606 CLA b C2 ? ? 1 +56332 C C3 . CLA FZ . 0.2126 1.0454 1.0970 -0.0673 -0.0425 -0.0293 606 CLA b C3 ? ? 1 +56333 C C4 . CLA FZ . 0.2040 1.0227 1.0736 -0.0665 -0.0427 -0.0249 606 CLA b C4 ? ? 1 +56334 C C5 . CLA FZ . 0.2424 1.0852 1.1339 -0.0612 -0.0479 -0.0313 606 CLA b C5 ? ? 1 +56335 C C6 . CLA FZ . 0.2753 1.1185 1.1671 -0.0570 -0.0450 -0.0292 606 CLA b C6 ? ? 1 +56336 C C7 . CLA FZ . 0.3214 1.1745 1.2206 -0.0507 -0.0498 -0.0312 606 CLA b C7 ? ? 1 +56337 C C8 . CLA FZ . 0.3773 1.2264 1.2713 -0.0444 -0.0496 -0.0280 606 CLA b C8 ? ? 1 +56338 C C9 . CLA FZ . 0.3974 1.2337 1.2797 -0.0445 -0.0453 -0.0232 606 CLA b C9 ? ? 1 +56339 C C10 . CLA FZ . 0.4533 1.3112 1.3541 -0.0377 -0.0533 -0.0296 606 CLA b C10 ? ? 1 +56340 C C11 . CLA FZ . 0.5525 1.4249 1.4687 -0.0383 -0.0518 -0.0342 606 CLA b C11 ? ? 1 +56341 C C12 . CLA FZ . 0.6453 1.5232 1.5650 -0.0304 -0.0551 -0.0346 606 CLA b C12 ? ? 1 +56342 C C13 . CLA FZ . 0.7470 1.6382 1.6777 -0.0271 -0.0615 -0.0392 606 CLA b C13 ? ? 1 +56343 C C14 . CLA FZ . 0.7284 1.6333 1.6745 -0.0324 -0.0595 -0.0444 606 CLA b C14 ? ? 1 +56344 C C15 . CLA FZ . 0.8412 1.7363 1.7740 -0.0188 -0.0643 -0.0391 606 CLA b C15 ? ? 1 +56345 C C16 . CLA FZ . 0.8915 1.7732 1.8103 -0.0140 -0.0640 -0.0339 606 CLA b C16 ? ? 1 +56346 C C17 . CLA FZ . 0.9486 1.8258 1.8595 -0.0076 -0.0715 -0.0324 606 CLA b C17 ? ? 1 +56347 C C18 . CLA FZ . 0.9942 1.8712 1.9039 0.0005 -0.0732 -0.0314 606 CLA b C18 ? ? 1 +56348 C C19 . CLA FZ . 0.9583 1.8474 1.8808 0.0031 -0.0713 -0.0347 606 CLA b C19 ? ? 1 +56349 C C20 . CLA FZ . 1.0218 1.8881 1.9184 0.0064 -0.0781 -0.0278 606 CLA b C20 ? ? 1 +56350 MG MG . CLA GA . 0.5158 0.9091 0.8718 0.1128 0.0639 -0.0222 503 CLA c MG ? ? 1 +56351 C CHA . CLA GA . 0.5166 0.9230 0.8889 0.1290 0.0739 -0.0228 503 CLA c CHA ? ? 1 +56352 C CHB . CLA GA . 0.5542 0.9084 0.8764 0.1177 0.0594 -0.0295 503 CLA c CHB ? ? 1 +56353 C CHC . CLA GA . 0.5239 0.9034 0.8580 0.1005 0.0565 -0.0228 503 CLA c CHC ? ? 1 +56354 C CHD . CLA GA . 0.4898 0.9176 0.8707 0.1103 0.0741 -0.0160 503 CLA c CHD ? ? 1 +56355 N NA . CLA GA . 0.5330 0.9147 0.8806 0.1219 0.0665 -0.0254 503 CLA c NA ? ? 1 +56356 C C1A . CLA GA . 0.5312 0.9197 0.8871 0.1277 0.0701 -0.0252 503 CLA c C1A ? ? 1 +56357 C C2A . CLA GA . 0.5439 0.9210 0.8922 0.1333 0.0697 -0.0276 503 CLA c C2A ? ? 1 +56358 C C3A . CLA GA . 0.5549 0.9153 0.8875 0.1293 0.0653 -0.0296 503 CLA c C3A ? ? 1 +56359 C C4A . CLA GA . 0.5473 0.9128 0.8811 0.1226 0.0637 -0.0281 503 CLA c C4A ? ? 1 +56360 C CMA . CLA GA . 0.5545 0.9075 0.8867 0.1269 0.0594 -0.0299 503 CLA c CMA ? ? 1 +56361 C CAA . CLA GA . 0.5566 0.9331 0.9013 0.1417 0.0765 -0.0294 503 CLA c CAA ? ? 1 +56362 C CBA . CLA GA . 0.5682 0.9401 0.9020 0.1416 0.0804 -0.0304 503 CLA c CBA ? ? 1 +56363 C CGA . CLA GA . 0.5762 0.9527 0.9109 0.1493 0.0882 -0.0314 503 CLA c CGA ? ? 1 +56364 O O1A . CLA GA . 0.5812 0.9556 0.9162 0.1559 0.0901 -0.0329 503 CLA c O1A ? ? 1 +56365 O O2A . CLA GA . 0.5793 0.9622 0.9139 0.1487 0.0936 -0.0307 503 CLA c O2A ? ? 1 +56366 N NB . CLA GA . 0.5351 0.9067 0.8679 0.1097 0.0593 -0.0256 503 CLA c NB ? ? 1 +56367 C C1B . CLA GA . 0.5491 0.9062 0.8704 0.1115 0.0572 -0.0284 503 CLA c C1B ? ? 1 +56368 C C2B . CLA GA . 0.5611 0.9049 0.8678 0.1075 0.0529 -0.0307 503 CLA c C2B ? ? 1 +56369 C C3B . CLA GA . 0.5525 0.9045 0.8630 0.1028 0.0521 -0.0287 503 CLA c C3B ? ? 1 +56370 C C4B . CLA GA . 0.5360 0.9043 0.8626 0.1042 0.0559 -0.0256 503 CLA c C4B ? ? 1 +56371 C CMB . CLA GA . 0.5787 0.9049 0.8705 0.1084 0.0503 -0.0343 503 CLA c CMB ? ? 1 +56372 C CAB . CLA GA . 0.5582 0.9048 0.8603 0.0973 0.0476 -0.0294 503 CLA c CAB ? ? 1 +56373 C CBB . CLA GA . 0.5678 0.9023 0.8601 0.0941 0.0422 -0.0320 503 CLA c CBB ? ? 1 +56374 N NC . CLA GA . 0.5081 0.9093 0.8647 0.1072 0.0653 -0.0198 503 CLA c NC ? ? 1 +56375 C C1C . CLA GA . 0.5114 0.9059 0.8589 0.1023 0.0615 -0.0202 503 CLA c C1C ? ? 1 +56376 C C2C . CLA GA . 0.5045 0.9064 0.8547 0.0990 0.0629 -0.0180 503 CLA c C2C ? ? 1 +56377 C C3C . CLA GA . 0.4942 0.9099 0.8581 0.1016 0.0683 -0.0159 503 CLA c C3C ? ? 1 +56378 C C4C . CLA GA . 0.4968 0.9116 0.8642 0.1063 0.0689 -0.0172 503 CLA c C4C ? ? 1 +56379 C CMC . CLA GA . 0.5079 0.9049 0.8494 0.0941 0.0595 -0.0178 503 CLA c CMC ? ? 1 +56380 C CAC . CLA GA . 0.4840 0.9120 0.8568 0.0996 0.0719 -0.0131 503 CLA c CAC ? ? 1 +56381 C CBC . CLA GA . 0.4662 0.9033 0.8523 0.0944 0.0667 -0.0108 503 CLA c CBC ? ? 1 +56382 N ND . CLA GA . 0.5086 0.9196 0.8783 0.1188 0.0731 -0.0204 503 CLA c ND ? ? 1 +56383 C C1D . CLA GA . 0.4934 0.9200 0.8767 0.1160 0.0753 -0.0175 503 CLA c C1D ? ? 1 +56384 C C2D . CLA GA . 0.4853 0.9253 0.8833 0.1201 0.0792 -0.0165 503 CLA c C2D ? ? 1 +56385 C C3D . CLA GA . 0.4942 0.9258 0.8874 0.1254 0.0783 -0.0188 503 CLA c C3D ? ? 1 +56386 C C4D . CLA GA . 0.5052 0.9213 0.8837 0.1237 0.0745 -0.0206 503 CLA c C4D ? ? 1 +56387 C CMD . CLA GA . 0.4731 0.9303 0.8870 0.1196 0.0831 -0.0143 503 CLA c CMD ? ? 1 +56388 C CAD . CLA GA . 0.4954 0.9295 0.8944 0.1320 0.0797 -0.0198 503 CLA c CAD ? ? 1 +56389 O OBD . CLA GA . 0.4854 0.9335 0.8989 0.1350 0.0826 -0.0188 503 CLA c OBD ? ? 1 +56390 C CBD . CLA GA . 0.5099 0.9273 0.8952 0.1345 0.0766 -0.0223 503 CLA c CBD ? ? 1 +56391 C CGD . CLA GA . 0.5031 0.9196 0.8938 0.1326 0.0707 -0.0215 503 CLA c CGD ? ? 1 +56392 O O1D . CLA GA . 0.5109 0.9182 0.8963 0.1360 0.0688 -0.0230 503 CLA c O1D ? ? 1 +56393 O O2D . CLA GA . 0.4874 0.9139 0.8897 0.1261 0.0669 -0.0188 503 CLA c O2D ? ? 1 +56394 C CED . CLA GA . 0.4811 0.9095 0.8908 0.1263 0.0629 -0.0180 503 CLA c CED ? ? 1 +56395 C C1 . CLA GA . 0.5853 0.9752 0.9236 0.1552 0.1014 -0.0313 503 CLA c C1 ? ? 1 +56396 C C2 . CLA GA . 0.6067 0.9837 0.9275 0.1586 0.1054 -0.0338 503 CLA c C2 ? ? 1 +56397 C C3 . CLA GA . 0.6136 0.9949 0.9326 0.1594 0.1118 -0.0335 503 CLA c C3 ? ? 1 +56398 C C4 . CLA GA . 0.5988 0.9980 0.9334 0.1566 0.1154 -0.0305 503 CLA c C4 ? ? 1 +56399 C C5 . CLA GA . 0.6381 1.0059 0.9388 0.1634 0.1161 -0.0362 503 CLA c C5 ? ? 1 +56400 C C6 . CLA GA . 0.6463 1.0204 0.9516 0.1718 0.1245 -0.0375 503 CLA c C6 ? ? 1 +56401 C C7 . CLA GA . 0.6466 1.0215 0.9585 0.1772 0.1226 -0.0387 503 CLA c C7 ? ? 1 +56402 C C8 . CLA GA . 0.6479 1.0345 0.9713 0.1852 0.1294 -0.0394 503 CLA c C8 ? ? 1 +56403 C C9 . CLA GA . 0.6423 1.0449 0.9770 0.1868 0.1378 -0.0384 503 CLA c C9 ? ? 1 +56404 C C10 . CLA GA . 0.6593 1.0375 0.9790 0.1921 0.1276 -0.0419 503 CLA c C10 ? ? 1 +56405 C C11 . CLA GA . 0.6664 1.0516 0.9924 0.2016 0.1344 -0.0437 503 CLA c C11 ? ? 1 +56406 C C12 . CLA GA . 0.6729 1.0506 0.9974 0.2067 0.1300 -0.0452 503 CLA c C12 ? ? 1 +56407 C C13 . CLA GA . 0.6780 1.0642 1.0113 0.2164 0.1353 -0.0468 503 CLA c C13 ? ? 1 +56408 C C14 . CLA GA . 0.6709 1.0602 1.0137 0.2190 0.1298 -0.0464 503 CLA c C14 ? ? 1 +56409 C C15 . CLA GA . 0.7033 1.0743 1.0195 0.2235 0.1394 -0.0503 503 CLA c C15 ? ? 1 +56410 C C16 . CLA GA . 0.7106 1.0904 1.0349 0.2338 0.1457 -0.0522 503 CLA c C16 ? ? 1 +56411 C C17 . CLA GA . 0.7347 1.0985 1.0405 0.2401 0.1501 -0.0556 503 CLA c C17 ? ? 1 +56412 C C18 . CLA GA . 0.7447 1.1150 1.0555 0.2508 0.1573 -0.0580 503 CLA c C18 ? ? 1 +56413 C C19 . CLA GA . 0.7648 1.1194 1.0630 0.2596 0.1566 -0.0612 503 CLA c C19 ? ? 1 +56414 C C20 . CLA GA . 0.7354 1.1287 1.0658 0.2530 0.1642 -0.0572 503 CLA c C20 ? ? 1 +56415 C C A BCT GB . 0.4041 0.8839 0.7899 0.0260 -0.0729 0.0074 401 BCT d C ? ? 1 +56416 C C B BCT GB . 0.4098 0.8889 0.7951 0.0266 -0.0688 0.0097 401 BCT d C ? ? 1 +56417 O O1 A BCT GB . 0.3940 0.8775 0.7871 0.0250 -0.0666 0.0107 401 BCT d O1 ? ? 1 +56418 O O1 B BCT GB . 0.4008 0.8822 0.7923 0.0253 -0.0619 0.0119 401 BCT d O1 ? ? 1 +56419 O O2 A BCT GB . 0.4009 0.8832 0.7915 0.0235 -0.0766 0.0037 401 BCT d O2 ? ? 1 +56420 O O2 B BCT GB . 0.4079 0.8897 0.7970 0.0247 -0.0747 0.0058 401 BCT d O2 ? ? 1 +56421 O O3 A BCT GB . 0.4179 0.8906 0.7899 0.0298 -0.0760 0.0077 401 BCT d O3 ? ? 1 +56422 O O3 B BCT GB . 0.4200 0.8937 0.7945 0.0301 -0.0700 0.0117 401 BCT d O3 ? ? 1 +56423 C CHA A PHO GC . 0.1349 0.7718 0.8451 0.0298 -0.0395 0.0311 407 PHO A CHA ? ? 1 +56424 C CHA B PHO GC . 0.1295 0.7665 0.8398 0.0299 -0.0395 0.0311 407 PHO A CHA ? ? 1 +56425 C CHB A PHO GC . 0.1111 0.7585 0.8290 0.0113 -0.0333 0.0311 407 PHO A CHB ? ? 1 +56426 C CHB B PHO GC . 0.1065 0.7537 0.8243 0.0113 -0.0333 0.0312 407 PHO A CHB ? ? 1 +56427 C CHC A PHO GC . 0.1281 0.7453 0.8267 0.0079 -0.0291 0.0327 407 PHO A CHC ? ? 1 +56428 C CHC B PHO GC . 0.1231 0.7403 0.8217 0.0078 -0.0291 0.0327 407 PHO A CHC ? ? 1 +56429 C CHD A PHO GC . 0.1547 0.7558 0.8420 0.0252 -0.0335 0.0338 407 PHO A CHD ? ? 1 +56430 C CHD B PHO GC . 0.1490 0.7502 0.8364 0.0252 -0.0336 0.0338 407 PHO A CHD ? ? 1 +56431 N NA A PHO GC . 0.1238 0.7641 0.8368 0.0201 -0.0360 0.0314 407 PHO A NA ? ? 1 +56432 N NA B PHO GC . 0.1188 0.7590 0.8317 0.0201 -0.0360 0.0314 407 PHO A NA ? ? 1 +56433 C C1A A PHO GC . 0.1267 0.7702 0.8415 0.0250 -0.0384 0.0308 407 PHO A C1A ? ? 1 +56434 C C1A B PHO GC . 0.1217 0.7651 0.8365 0.0250 -0.0384 0.0308 407 PHO A C1A ? ? 1 +56435 C C2A A PHO GC . 0.1205 0.7746 0.8424 0.0243 -0.0398 0.0298 407 PHO A C2A ? ? 1 +56436 C C2A B PHO GC . 0.1157 0.7699 0.8377 0.0243 -0.0398 0.0298 407 PHO A C2A ? ? 1 +56437 C C3A A PHO GC . 0.1134 0.7685 0.8358 0.0182 -0.0380 0.0306 407 PHO A C3A ? ? 1 +56438 C C3A B PHO GC . 0.1087 0.7636 0.8309 0.0182 -0.0380 0.0306 407 PHO A C3A ? ? 1 +56439 C C4A A PHO GC . 0.1157 0.7632 0.8335 0.0163 -0.0355 0.0310 407 PHO A C4A ? ? 1 +56440 C C4A B PHO GC . 0.1109 0.7583 0.8286 0.0163 -0.0356 0.0311 407 PHO A C4A ? ? 1 +56441 C CMA A PHO GC . 0.1129 0.7656 0.8318 0.0161 -0.0395 0.0326 407 PHO A CMA ? ? 1 +56442 C CMA B PHO GC . 0.1082 0.7607 0.8269 0.0161 -0.0396 0.0326 407 PHO A CMA ? ? 1 +56443 C CAA A PHO GC . 0.1184 0.7819 0.8485 0.0267 -0.0393 0.0270 407 PHO A CAA ? ? 1 +56444 C CAA B PHO GC . 0.1137 0.7773 0.8439 0.0267 -0.0392 0.0270 407 PHO A CAA ? ? 1 +56445 C CBA A PHO GC . 0.1134 0.7875 0.8508 0.0261 -0.0409 0.0258 407 PHO A CBA ? ? 1 +56446 C CBA B PHO GC . 0.1092 0.7834 0.8467 0.0260 -0.0408 0.0257 407 PHO A CBA ? ? 1 +56447 C CGA A PHO GC . 0.1104 0.7946 0.8567 0.0267 -0.0395 0.0229 407 PHO A CGA ? ? 1 +56448 C CGA B PHO GC . 0.1079 0.7920 0.8543 0.0278 -0.0399 0.0227 407 PHO A CGA ? ? 1 +56449 O O1A A PHO GC . 0.1115 0.7957 0.8592 0.0271 -0.0369 0.0217 407 PHO A O1A ? ? 1 +56450 O O1A B PHO GC . 0.1110 0.7949 0.8585 0.0299 -0.0380 0.0215 407 PHO A O1A ? ? 1 +56451 O O2A A PHO GC . 0.1065 0.7998 0.8593 0.0265 -0.0413 0.0216 407 PHO A O2A ? ? 1 +56452 O O2A B PHO GC . 0.1037 0.7971 0.8567 0.0269 -0.0413 0.0215 407 PHO A O2A ? ? 1 +56453 N NB A PHO GC . 0.1205 0.7520 0.8281 0.0110 -0.0314 0.0322 407 PHO A NB ? ? 1 +56454 N NB B PHO GC . 0.1158 0.7473 0.8234 0.0109 -0.0315 0.0323 407 PHO A NB ? ? 1 +56455 C C1B A PHO GC . 0.1130 0.7535 0.8265 0.0091 -0.0315 0.0316 407 PHO A C1B ? ? 1 +56456 C C1B B PHO GC . 0.1085 0.7488 0.8218 0.0091 -0.0316 0.0317 407 PHO A C1B ? ? 1 +56457 C C2B A PHO GC . 0.1087 0.7495 0.8224 0.0046 -0.0296 0.0315 407 PHO A C2B ? ? 1 +56458 C C2B B PHO GC . 0.1043 0.7452 0.8180 0.0045 -0.0297 0.0315 407 PHO A C2B ? ? 1 +56459 C C3B A PHO GC . 0.1138 0.7463 0.8221 0.0037 -0.0287 0.0319 407 PHO A C3B ? ? 1 +56460 C C3B B PHO GC . 0.1090 0.7414 0.8172 0.0036 -0.0287 0.0319 407 PHO A C3B ? ? 1 +56461 C C4B A PHO GC . 0.1211 0.7477 0.8256 0.0076 -0.0297 0.0323 407 PHO A C4B ? ? 1 +56462 C C4B B PHO GC . 0.1164 0.7429 0.8209 0.0075 -0.0297 0.0324 407 PHO A C4B ? ? 1 +56463 C CMB A PHO GC . 0.1007 0.7490 0.8193 0.0014 -0.0290 0.0309 407 PHO A CMB ? ? 1 +56464 C CMB B PHO GC . 0.0964 0.7448 0.8150 0.0014 -0.0291 0.0310 407 PHO A CMB ? ? 1 +56465 C CAB A PHO GC . 0.1125 0.7425 0.8191 -0.0002 -0.0271 0.0316 407 PHO A CAB ? ? 1 +56466 C CAB B PHO GC . 0.1080 0.7376 0.8143 -0.0003 -0.0271 0.0317 407 PHO A CAB ? ? 1 +56467 C CBB A PHO GC . 0.1067 0.7414 0.8161 -0.0032 -0.0262 0.0311 407 PHO A CBB ? ? 1 +56468 C CBB B PHO GC . 0.1028 0.7369 0.8118 -0.0031 -0.0260 0.0310 407 PHO A CBB ? ? 1 +56469 N NC A PHO GC . 0.1391 0.7512 0.8341 0.0166 -0.0315 0.0332 407 PHO A NC ? ? 1 +56470 N NC B PHO GC . 0.1337 0.7459 0.8288 0.0165 -0.0315 0.0331 407 PHO A NC ? ? 1 +56471 C C1C A PHO GC . 0.1365 0.7468 0.8306 0.0118 -0.0298 0.0331 407 PHO A C1C ? ? 1 +56472 C C1C B PHO GC . 0.1311 0.7415 0.8252 0.0117 -0.0298 0.0331 407 PHO A C1C ? ? 1 +56473 C C2C A PHO GC . 0.1442 0.7440 0.8317 0.0114 -0.0290 0.0335 407 PHO A C2C ? ? 1 +56474 C C2C B PHO GC . 0.1388 0.7387 0.8264 0.0113 -0.0290 0.0335 407 PHO A C2C ? ? 1 +56475 C C3C A PHO GC . 0.1520 0.7467 0.8361 0.0162 -0.0300 0.0338 407 PHO A C3C ? ? 1 +56476 C C3C B PHO GC . 0.1465 0.7413 0.8306 0.0162 -0.0300 0.0338 407 PHO A C3C ? ? 1 +56477 C C4C A PHO GC . 0.1486 0.7513 0.8374 0.0195 -0.0317 0.0336 407 PHO A C4C ? ? 1 +56478 C C4C B PHO GC . 0.1431 0.7459 0.8320 0.0195 -0.0317 0.0336 407 PHO A C4C ? ? 1 +56479 C CMC A PHO GC . 0.1436 0.7391 0.8287 0.0067 -0.0276 0.0333 407 PHO A CMC ? ? 1 +56480 C CMC B PHO GC . 0.1381 0.7336 0.8232 0.0066 -0.0276 0.0333 407 PHO A CMC ? ? 1 +56481 C CAC A PHO GC . 0.1629 0.7459 0.8395 0.0178 -0.0296 0.0342 407 PHO A CAC ? ? 1 +56482 C CAC B PHO GC . 0.1574 0.7405 0.8341 0.0178 -0.0296 0.0341 407 PHO A CAC ? ? 1 +56483 C CBC A PHO GC . 0.1679 0.7501 0.8446 0.0227 -0.0292 0.0323 407 PHO A CBC ? ? 1 +56484 C CBC B PHO GC . 0.1620 0.7446 0.8390 0.0225 -0.0291 0.0322 407 PHO A CBC ? ? 1 +56485 N ND A PHO GC . 0.1419 0.7613 0.8408 0.0259 -0.0357 0.0328 407 PHO A ND ? ? 1 +56486 N ND B PHO GC . 0.1362 0.7556 0.8352 0.0259 -0.0358 0.0328 407 PHO A ND ? ? 1 +56487 C C1D A PHO GC . 0.1515 0.7607 0.8437 0.0285 -0.0356 0.0333 407 PHO A C1D ? ? 1 +56488 C C1D B PHO GC . 0.1457 0.7549 0.8379 0.0285 -0.0356 0.0333 407 PHO A C1D ? ? 1 +56489 C C2D A PHO GC . 0.1574 0.7663 0.8489 0.0347 -0.0378 0.0332 407 PHO A C2D ? ? 1 +56490 C C2D B PHO GC . 0.1515 0.7606 0.8431 0.0348 -0.0378 0.0331 407 PHO A C2D ? ? 1 +56491 C C3D A PHO GC . 0.1509 0.7710 0.8496 0.0356 -0.0396 0.0323 407 PHO A C3D ? ? 1 +56492 C C3D B PHO GC . 0.1451 0.7653 0.8439 0.0357 -0.0396 0.0322 407 PHO A C3D ? ? 1 +56493 C C4D A PHO GC . 0.1418 0.7677 0.8448 0.0299 -0.0381 0.0321 407 PHO A C4D ? ? 1 +56494 C C4D B PHO GC . 0.1361 0.7621 0.8391 0.0300 -0.0381 0.0321 407 PHO A C4D ? ? 1 +56495 C CMD A PHO GC . 0.1686 0.7672 0.8529 0.0395 -0.0384 0.0337 407 PHO A CMD ? ? 1 +56496 C CMD B PHO GC . 0.1626 0.7614 0.8471 0.0397 -0.0384 0.0336 407 PHO A CMD ? ? 1 +56497 C CAD A PHO GC . 0.1502 0.7782 0.8537 0.0401 -0.0424 0.0313 407 PHO A CAD ? ? 1 +56498 C CAD B PHO GC . 0.1443 0.7724 0.8479 0.0402 -0.0424 0.0312 407 PHO A CAD ? ? 1 +56499 O OBD A PHO GC . 0.1569 0.7830 0.8585 0.0458 -0.0446 0.0311 407 PHO A OBD ? ? 1 +56500 O OBD B PHO GC . 0.1508 0.7772 0.8528 0.0460 -0.0446 0.0310 407 PHO A OBD ? ? 1 +56501 C CBD A PHO GC . 0.1397 0.7790 0.8512 0.0363 -0.0424 0.0304 407 PHO A CBD ? ? 1 +56502 C CBD B PHO GC . 0.1339 0.7734 0.8455 0.0364 -0.0424 0.0303 407 PHO A CBD ? ? 1 +56503 C CGD A PHO GC . 0.1394 0.7808 0.8503 0.0370 -0.0455 0.0315 407 PHO A CGD ? ? 1 +56504 C CGD B PHO GC . 0.1337 0.7751 0.8446 0.0373 -0.0455 0.0314 407 PHO A CGD ? ? 1 +56505 O O1D A PHO GC . 0.1377 0.7866 0.8536 0.0402 -0.0479 0.0301 407 PHO A O1D ? ? 1 +56506 O O1D B PHO GC . 0.1314 0.7805 0.8474 0.0404 -0.0479 0.0301 407 PHO A O1D ? ? 1 +56507 O O2D A PHO GC . 0.1402 0.7742 0.8446 0.0337 -0.0452 0.0339 407 PHO A O2D ? ? 1 +56508 O O2D B PHO GC . 0.1345 0.7684 0.8388 0.0340 -0.0452 0.0339 407 PHO A O2D ? ? 1 +56509 C CED A PHO GC . 0.1408 0.7753 0.8433 0.0343 -0.0478 0.0351 407 PHO A CED ? ? 1 +56510 C CED B PHO GC . 0.1348 0.7693 0.8372 0.0344 -0.0479 0.0351 407 PHO A CED ? ? 1 +56511 C C1 A PHO GC . 0.1020 0.8055 0.8641 0.0261 -0.0395 0.0188 407 PHO A C1 ? ? 1 +56512 C C1 B PHO GC . 0.0994 0.8031 0.8617 0.0265 -0.0396 0.0187 407 PHO A C1 ? ? 1 +56513 C C2 A PHO GC . 0.0949 0.8020 0.8597 0.0200 -0.0372 0.0187 407 PHO A C2 ? ? 1 +56514 C C2 B PHO GC . 0.0924 0.7996 0.8573 0.0203 -0.0372 0.0186 407 PHO A C2 ? ? 1 +56515 C C3 A PHO GC . 0.0911 0.8001 0.8562 0.0171 -0.0388 0.0194 407 PHO A C3 ? ? 1 +56516 C C3 B PHO GC . 0.0885 0.7986 0.8546 0.0174 -0.0387 0.0190 407 PHO A C3 ? ? 1 +56517 C C4 A PHO GC . 0.0935 0.8011 0.8558 0.0196 -0.0431 0.0204 407 PHO A C4 ? ? 1 +56518 C C4 B PHO GC . 0.0913 0.8019 0.8563 0.0200 -0.0432 0.0196 407 PHO A C4 ? ? 1 +56519 C C5 A PHO GC . 0.0850 0.7967 0.8522 0.0112 -0.0364 0.0193 407 PHO A C5 ? ? 1 +56520 C C5 B PHO GC . 0.0826 0.7947 0.8502 0.0114 -0.0362 0.0191 407 PHO A C5 ? ? 1 +56521 C C6 A PHO GC . 0.0837 0.7941 0.8510 0.0089 -0.0321 0.0189 407 PHO A C6 ? ? 1 +56522 C C6 B PHO GC . 0.0812 0.7920 0.8489 0.0090 -0.0319 0.0187 407 PHO A C6 ? ? 1 +56523 C C7 A PHO GC . 0.0786 0.7911 0.8472 0.0033 -0.0298 0.0189 407 PHO A C7 ? ? 1 +56524 C C7 B PHO GC . 0.0762 0.7883 0.8445 0.0034 -0.0297 0.0190 407 PHO A C7 ? ? 1 +56525 C C8 A PHO GC . 0.0780 0.7898 0.8468 0.0010 -0.0255 0.0182 407 PHO A C8 ? ? 1 +56526 C C8 B PHO GC . 0.0754 0.7874 0.8444 0.0009 -0.0254 0.0181 407 PHO A C8 ? ? 1 +56527 C C9 A PHO GC . 0.0773 0.7981 0.8546 0.0014 -0.0234 0.0154 407 PHO A C9 ? ? 1 +56528 C C9 B PHO GC . 0.0746 0.7960 0.8524 0.0014 -0.0235 0.0153 407 PHO A C9 ? ? 1 +56529 C C10 A PHO GC . 0.0747 0.7831 0.8400 -0.0041 -0.0238 0.0195 407 PHO A C10 ? ? 1 +56530 C C10 B PHO GC . 0.0719 0.7808 0.8375 -0.0041 -0.0237 0.0194 407 PHO A C10 ? ? 1 +56531 C C11 A PHO GC . 0.0743 0.7829 0.8400 -0.0066 -0.0196 0.0187 407 PHO A C11 ? ? 1 +56532 C C11 B PHO GC . 0.0715 0.7800 0.8371 -0.0067 -0.0195 0.0187 407 PHO A C11 ? ? 1 +56533 C C12 A PHO GC . 0.0785 0.7821 0.8405 -0.0045 -0.0178 0.0186 407 PHO A C12 ? ? 1 +56534 C C12 B PHO GC . 0.0758 0.7794 0.8379 -0.0046 -0.0177 0.0186 407 PHO A C12 ? ? 1 +56535 C C13 A PHO GC . 0.0809 0.7750 0.8348 -0.0043 -0.0191 0.0208 407 PHO A C13 ? ? 1 +56536 C C13 B PHO GC . 0.0784 0.7726 0.8323 -0.0042 -0.0191 0.0208 407 PHO A C13 ? ? 1 +56537 C C14 A PHO GC . 0.0860 0.7755 0.8368 -0.0013 -0.0181 0.0204 407 PHO A C14 ? ? 1 +56538 C C14 B PHO GC . 0.0837 0.7734 0.8347 -0.0011 -0.0181 0.0204 407 PHO A C14 ? ? 1 +56539 C C15 A PHO GC . 0.0789 0.7689 0.8284 -0.0085 -0.0180 0.0221 407 PHO A C15 ? ? 1 +56540 C C15 B PHO GC . 0.0767 0.7666 0.8261 -0.0085 -0.0178 0.0221 407 PHO A C15 ? ? 1 +56541 C C16 A PHO GC . 0.0813 0.7628 0.8236 -0.0088 -0.0190 0.0239 407 PHO A C16 ? ? 1 +56542 C C16 B PHO GC . 0.0790 0.7606 0.8213 -0.0088 -0.0191 0.0240 407 PHO A C16 ? ? 1 +56543 C C17 A PHO GC . 0.0786 0.7574 0.8175 -0.0126 -0.0192 0.0254 407 PHO A C17 ? ? 1 +56544 C C17 B PHO GC . 0.0763 0.7554 0.8155 -0.0126 -0.0192 0.0253 407 PHO A C17 ? ? 1 +56545 C C18 A PHO GC . 0.0809 0.7522 0.8137 -0.0130 -0.0205 0.0270 407 PHO A C18 ? ? 1 +56546 C C18 B PHO GC . 0.0788 0.7504 0.8118 -0.0131 -0.0205 0.0270 407 PHO A C18 ? ? 1 +56547 C C19 A PHO GC . 0.0853 0.7516 0.8144 -0.0120 -0.0190 0.0264 407 PHO A C19 ? ? 1 +56548 C C19 B PHO GC . 0.0835 0.7499 0.8127 -0.0121 -0.0190 0.0264 407 PHO A C19 ? ? 1 +56549 C C20 A PHO GC . 0.0785 0.7482 0.8089 -0.0164 -0.0208 0.0282 407 PHO A C20 ? ? 1 +56550 C C20 B PHO GC . 0.0765 0.7466 0.8071 -0.0166 -0.0207 0.0281 407 PHO A C20 ? ? 1 +56551 MG MG . CLA GD . 0.1561 0.8021 0.8649 -0.0558 0.0134 0.0540 613 CLA B MG ? ? 1 +56552 C CHA . CLA GD . 0.1631 0.7921 0.8503 -0.0488 0.0095 0.0581 613 CLA B CHA ? ? 1 +56553 C CHB . CLA GD . 0.1713 0.8041 0.8767 -0.0624 0.0174 0.0554 613 CLA B CHB ? ? 1 +56554 C CHC . CLA GD . 0.1424 0.8084 0.8751 -0.0609 0.0128 0.0484 613 CLA B CHC ? ? 1 +56555 C CHD . CLA GD . 0.1391 0.7976 0.8517 -0.0485 0.0065 0.0517 613 CLA B CHD ? ? 1 +56556 N NA . CLA GD . 0.1666 0.8000 0.8650 -0.0554 0.0131 0.0564 613 CLA B NA ? ? 1 +56557 C C1A . CLA GD . 0.1699 0.7972 0.8599 -0.0524 0.0120 0.0581 613 CLA B C1A ? ? 1 +56558 C C2A . CLA GD . 0.1821 0.7996 0.8648 -0.0529 0.0132 0.0599 613 CLA B C2A ? ? 1 +56559 C C3A . CLA GD . 0.1821 0.8008 0.8708 -0.0572 0.0152 0.0589 613 CLA B C3A ? ? 1 +56560 C C4A . CLA GD . 0.1725 0.8016 0.8708 -0.0584 0.0151 0.0567 613 CLA B C4A ? ? 1 +56561 C CMA . CLA GD . 0.1820 0.7982 0.8711 -0.0571 0.0121 0.0584 613 CLA B CMA ? ? 1 +56562 C CAA . CLA GD . 0.1952 0.8052 0.8689 -0.0524 0.0169 0.0621 613 CLA B CAA ? ? 1 +56563 C CBA . CLA GD . 0.2100 0.8093 0.8757 -0.0530 0.0186 0.0641 613 CLA B CBA ? ? 1 +56564 C CGA . CLA GD . 0.2211 0.8153 0.8810 -0.0494 0.0143 0.0648 613 CLA B CGA ? ? 1 +56565 O O1A . CLA GD . 0.2298 0.8186 0.8814 -0.0461 0.0133 0.0663 613 CLA B O1A ? ? 1 +56566 O O2A . CLA GD . 0.2296 0.8252 0.8936 -0.0494 0.0110 0.0637 613 CLA B O2A ? ? 1 +56567 N NB . CLA GD . 0.1531 0.8026 0.8712 -0.0610 0.0147 0.0521 613 CLA B NB ? ? 1 +56568 C C1B . CLA GD . 0.1611 0.8044 0.8767 -0.0637 0.0168 0.0530 613 CLA B C1B ? ? 1 +56569 C C2B . CLA GD . 0.1609 0.8081 0.8844 -0.0678 0.0179 0.0511 613 CLA B C2B ? ? 1 +56570 C C3B . CLA GD . 0.1535 0.8111 0.8854 -0.0671 0.0162 0.0490 613 CLA B C3B ? ? 1 +56571 C C4B . CLA GD . 0.1496 0.8074 0.8770 -0.0629 0.0147 0.0499 613 CLA B C4B ? ? 1 +56572 C CMB . CLA GD . 0.1674 0.8084 0.8897 -0.0716 0.0202 0.0515 613 CLA B CMB ? ? 1 +56573 C CAB . CLA GD . 0.1482 0.8145 0.8907 -0.0699 0.0160 0.0463 613 CLA B CAB ? ? 1 +56574 C CBB . CLA GD . 0.1500 0.8160 0.8963 -0.0743 0.0184 0.0454 613 CLA B CBB ? ? 1 +56575 N NC . CLA GD . 0.1436 0.8025 0.8634 -0.0547 0.0103 0.0510 613 CLA B NC ? ? 1 +56576 C C1C . CLA GD . 0.1391 0.8051 0.8677 -0.0569 0.0106 0.0490 613 CLA B C1C ? ? 1 +56577 C C2C . CLA GD . 0.1320 0.8059 0.8662 -0.0550 0.0082 0.0472 613 CLA B C2C ? ? 1 +56578 C C3C . CLA GD . 0.1288 0.7999 0.8568 -0.0515 0.0066 0.0483 613 CLA B C3C ? ? 1 +56579 C C4C . CLA GD . 0.1373 0.8000 0.8573 -0.0517 0.0082 0.0504 613 CLA B C4C ? ? 1 +56580 C CMC . CLA GD . 0.1302 0.8127 0.8740 -0.0562 0.0074 0.0448 613 CLA B CMC ? ? 1 +56581 C CAC . CLA GD . 0.1236 0.7991 0.8528 -0.0485 0.0042 0.0473 613 CLA B CAC ? ? 1 +56582 C CBC . CLA GD . 0.1192 0.7943 0.8479 -0.0470 -0.0003 0.0469 613 CLA B CBC ? ? 1 +56583 N ND . CLA GD . 0.1512 0.7961 0.8534 -0.0503 0.0092 0.0547 613 CLA B ND ? ? 1 +56584 C C1D . CLA GD . 0.1435 0.7939 0.8481 -0.0478 0.0065 0.0535 613 CLA B C1D ? ? 1 +56585 C C2D . CLA GD . 0.1444 0.7903 0.8413 -0.0447 0.0049 0.0547 613 CLA B C2D ? ? 1 +56586 C C3D . CLA GD . 0.1525 0.7904 0.8429 -0.0451 0.0060 0.0565 613 CLA B C3D ? ? 1 +56587 C C4D . CLA GD . 0.1545 0.7921 0.8485 -0.0483 0.0080 0.0563 613 CLA B C4D ? ? 1 +56588 C CMD . CLA GD . 0.1403 0.7883 0.8356 -0.0418 0.0025 0.0542 613 CLA B CMD ? ? 1 +56589 C CAD . CLA GD . 0.1598 0.7898 0.8412 -0.0430 0.0049 0.0582 613 CLA B CAD ? ? 1 +56590 O OBD . CLA GD . 0.1575 0.7859 0.8340 -0.0400 0.0026 0.0585 613 CLA B OBD ? ? 1 +56591 C CBD . CLA GD . 0.1662 0.7899 0.8448 -0.0451 0.0074 0.0594 613 CLA B CBD ? ? 1 +56592 C CGD . CLA GD . 0.1648 0.7831 0.8391 -0.0435 0.0045 0.0602 613 CLA B CGD ? ? 1 +56593 O O1D . CLA GD . 0.1594 0.7794 0.8378 -0.0442 0.0026 0.0593 613 CLA B O1D ? ? 1 +56594 O O2D . CLA GD . 0.1698 0.7807 0.8344 -0.0407 0.0041 0.0619 613 CLA B O2D ? ? 1 +56595 C CED . CLA GD . 0.1731 0.7806 0.8343 -0.0382 0.0004 0.0622 613 CLA B CED ? ? 1 +56596 C C1 . CLA GD . 0.2475 0.8401 0.9071 -0.0456 0.0069 0.0640 613 CLA B C1 ? ? 1 +56597 C C2 . CLA GD . 0.2512 0.8522 0.9191 -0.0451 0.0031 0.0618 613 CLA B C2 ? ? 1 +56598 C C3 . CLA GD . 0.2691 0.8710 0.9416 -0.0471 0.0025 0.0607 613 CLA B C3 ? ? 1 +56599 C C4 . CLA GD . 0.2732 0.8675 0.9426 -0.0498 0.0054 0.0617 613 CLA B C4 ? ? 1 +56600 C C5 . CLA GD . 0.2815 0.8911 0.9613 -0.0466 -0.0011 0.0586 613 CLA B C5 ? ? 1 +56601 C C6 . CLA GD . 0.2971 0.9130 0.9854 -0.0502 0.0000 0.0568 613 CLA B C6 ? ? 1 +56602 C C7 . CLA GD . 0.3197 0.9410 1.0129 -0.0489 -0.0039 0.0551 613 CLA B C7 ? ? 1 +56603 C C8 . CLA GD . 0.3457 0.9739 1.0472 -0.0515 -0.0043 0.0529 613 CLA B C8 ? ? 1 +56604 C C9 . CLA GD . 0.3514 0.9810 1.0573 -0.0557 -0.0012 0.0522 613 CLA B C9 ? ? 1 +56605 C C10 . CLA GD . 0.3884 1.0224 1.0940 -0.0497 -0.0079 0.0513 613 CLA B C10 ? ? 1 +56606 C C11 . CLA GD . 0.4403 1.0738 1.1421 -0.0459 -0.0104 0.0519 613 CLA B C11 ? ? 1 +56607 C C12 . CLA GD . 0.5069 1.1464 1.2132 -0.0449 -0.0134 0.0502 613 CLA B C12 ? ? 1 +56608 C C13 . CLA GD . 0.5944 1.2332 1.2982 -0.0417 -0.0161 0.0503 613 CLA B C13 ? ? 1 +56609 C C14 . CLA GD . 0.6264 1.2585 1.3252 -0.0404 -0.0163 0.0514 613 CLA B C14 ? ? 1 +56610 C C15 . CLA GD . 0.6528 1.2936 1.3548 -0.0396 -0.0168 0.0508 613 CLA B C15 ? ? 1 +56611 C C16 . CLA GD . 0.6922 1.3388 1.3981 -0.0403 -0.0164 0.0500 613 CLA B C16 ? ? 1 +56612 C C17 . CLA GD . 0.7225 1.3737 1.4322 -0.0398 -0.0187 0.0484 613 CLA B C17 ? ? 1 +56613 C C18 . CLA GD . 0.7516 1.4053 1.4605 -0.0378 -0.0202 0.0482 613 CLA B C18 ? ? 1 +56614 C C19 . CLA GD . 0.7244 1.3771 1.4298 -0.0367 -0.0194 0.0491 613 CLA B C19 ? ? 1 +56615 C C20 . CLA GD . 0.7824 1.4382 1.4929 -0.0368 -0.0225 0.0470 613 CLA B C20 ? ? 1 +56616 MG MG . CLA GE . 0.3848 1.0744 1.1608 0.1736 -0.0133 -0.0257 508 CLA C MG ? ? 1 +56617 C CHA . CLA GE . 0.3585 1.0269 1.1186 0.1790 -0.0009 -0.0291 508 CLA C CHA ? ? 1 +56618 C CHB . CLA GE . 0.3231 1.0230 1.1059 0.1508 -0.0035 -0.0248 508 CLA C CHB ? ? 1 +56619 C CHC . CLA GE . 0.3245 1.0541 1.1320 0.1733 -0.0226 -0.0280 508 CLA C CHC ? ? 1 +56620 C CHD . CLA GE . 0.3658 1.0528 1.1411 0.2019 -0.0229 -0.0290 508 CLA C CHD ? ? 1 +56621 N NA . CLA GE . 0.3524 1.0385 1.1255 0.1661 -0.0040 -0.0268 508 CLA C NA ? ? 1 +56622 C C1A . CLA GE . 0.3535 1.0298 1.1190 0.1687 0.0000 -0.0278 508 CLA C C1A ? ? 1 +56623 C C2A . CLA GE . 0.3500 1.0221 1.1113 0.1604 0.0057 -0.0274 508 CLA C C2A ? ? 1 +56624 C C3A . CLA GE . 0.3349 1.0161 1.1026 0.1518 0.0045 -0.0258 508 CLA C C3A ? ? 1 +56625 C C4A . CLA GE . 0.3354 1.0254 1.1108 0.1564 -0.0014 -0.0258 508 CLA C C4A ? ? 1 +56626 C CMA . CLA GE . 0.3251 1.0200 1.1035 0.1465 0.0102 -0.0280 508 CLA C CMA ? ? 1 +56627 C CAA . CLA GE . 0.3607 1.0113 1.1044 0.1585 0.0061 -0.0251 508 CLA C CAA ? ? 1 +56628 C CBA . CLA GE . 0.3602 1.0067 1.0993 0.1501 0.0112 -0.0248 508 CLA C CBA ? ? 1 +56629 C CGA . CLA GE . 0.3637 1.0201 1.1105 0.1512 0.0176 -0.0283 508 CLA C CGA ? ? 1 +56630 O O1A . CLA GE . 0.3708 1.0293 1.1201 0.1590 0.0192 -0.0310 508 CLA C O1A ? ? 1 +56631 O O2A . CLA GE . 0.3616 1.0249 1.1125 0.1430 0.0221 -0.0286 508 CLA C O2A ? ? 1 +56632 N NB . CLA GE . 0.3355 1.0470 1.1285 0.1638 -0.0127 -0.0263 508 CLA C NB ? ? 1 +56633 C C1B . CLA GE . 0.3216 1.0337 1.1144 0.1543 -0.0086 -0.0254 508 CLA C C1B ? ? 1 +56634 C C2B . CLA GE . 0.3063 1.0336 1.1111 0.1481 -0.0091 -0.0258 508 CLA C C2B ? ? 1 +56635 C C3B . CLA GE . 0.3065 1.0428 1.1188 0.1549 -0.0148 -0.0270 508 CLA C C3B ? ? 1 +56636 C C4B . CLA GE . 0.3216 1.0468 1.1254 0.1642 -0.0168 -0.0270 508 CLA C C4B ? ? 1 +56637 C CMB . CLA GE . 0.2943 1.0252 1.1012 0.1378 -0.0049 -0.0251 508 CLA C CMB ? ? 1 +56638 C CAB . CLA GE . 0.2966 1.0494 1.1221 0.1537 -0.0183 -0.0282 508 CLA C CAB ? ? 1 +56639 C CBB . CLA GE . 0.2851 1.0490 1.1196 0.1460 -0.0156 -0.0289 508 CLA C CBB ? ? 1 +56640 N NC . CLA GE . 0.3507 1.0562 1.1398 0.1848 -0.0205 -0.0281 508 CLA C NC ? ? 1 +56641 C C1C . CLA GE . 0.3374 1.0574 1.1377 0.1833 -0.0242 -0.0285 508 CLA C C1C ? ? 1 +56642 C C2C . CLA GE . 0.3403 1.0682 1.1470 0.1925 -0.0300 -0.0302 508 CLA C C2C ? ? 1 +56643 C C3C . CLA GE . 0.3532 1.0682 1.1500 0.2013 -0.0302 -0.0303 508 CLA C C3C ? ? 1 +56644 C C4C . CLA GE . 0.3542 1.0557 1.1404 0.1953 -0.0245 -0.0288 508 CLA C C4C ? ? 1 +56645 C CMC . CLA GE . 0.3330 1.0777 1.1526 0.1930 -0.0349 -0.0315 508 CLA C CMC ? ? 1 +56646 C CAC . CLA GE . 0.3614 1.0767 1.1586 0.2136 -0.0353 -0.0317 508 CLA C CAC ? ? 1 +56647 C CBC . CLA GE . 0.3604 1.0915 1.1718 0.2200 -0.0325 -0.0367 508 CLA C CBC ? ? 1 +56648 N ND . CLA GE . 0.3664 1.0465 1.1361 0.1869 -0.0121 -0.0282 508 CLA C ND ? ? 1 +56649 C C1D . CLA GE . 0.3684 1.0484 1.1386 0.1981 -0.0162 -0.0295 508 CLA C C1D ? ? 1 +56650 C C2D . CLA GE . 0.3800 1.0474 1.1410 0.2045 -0.0134 -0.0306 508 CLA C C2D ? ? 1 +56651 C C3D . CLA GE . 0.3759 1.0392 1.1333 0.1961 -0.0071 -0.0305 508 CLA C C3D ? ? 1 +56652 C C4D . CLA GE . 0.3650 1.0379 1.1294 0.1872 -0.0066 -0.0295 508 CLA C C4D ? ? 1 +56653 C CMD . CLA GE . 0.3931 1.0525 1.1485 0.2162 -0.0152 -0.0319 508 CLA C CMD ? ? 1 +56654 C CAD . CLA GE . 0.3782 1.0319 1.1281 0.1945 -0.0010 -0.0314 508 CLA C CAD ? ? 1 +56655 O OBD . CLA GE . 0.3902 1.0337 1.1325 0.2014 0.0004 -0.0326 508 CLA C OBD ? ? 1 +56656 C CBD . CLA GE . 0.3648 1.0208 1.1154 0.1833 0.0029 -0.0304 508 CLA C CBD ? ? 1 +56657 C CGD . CLA GE . 0.3571 1.0211 1.1141 0.1824 0.0099 -0.0336 508 CLA C CGD ? ? 1 +56658 O O1D . CLA GE . 0.3610 1.0141 1.1092 0.1839 0.0136 -0.0344 508 CLA C O1D ? ? 1 +56659 O O2D . CLA GE . 0.3422 1.0269 1.1157 0.1795 0.0125 -0.0359 508 CLA C O2D ? ? 1 +56660 C CED . CLA GE . 0.3439 1.0374 1.1248 0.1825 0.0186 -0.0397 508 CLA C CED ? ? 1 +56661 C C1 . CLA GE . 0.3665 1.0369 1.1226 0.1439 0.0286 -0.0317 508 CLA C C1 ? ? 1 +56662 C C2 . CLA GE . 0.3656 1.0556 1.1387 0.1480 0.0292 -0.0346 508 CLA C C2 ? ? 1 +56663 C C3 . CLA GE . 0.3664 1.0711 1.1510 0.1433 0.0332 -0.0361 508 CLA C C3 ? ? 1 +56664 C C4 . CLA GE . 0.3656 1.0674 1.1459 0.1339 0.0374 -0.0348 508 CLA C C4 ? ? 1 +56665 C C5 . CLA GE . 0.3669 1.0910 1.1687 0.1479 0.0332 -0.0391 508 CLA C C5 ? ? 1 +56666 C C6 . CLA GE . 0.3627 1.1016 1.1761 0.1413 0.0382 -0.0406 508 CLA C C6 ? ? 1 +56667 C C7 . CLA GE . 0.3654 1.1237 1.1964 0.1465 0.0388 -0.0443 508 CLA C C7 ? ? 1 +56668 C C8 . CLA GE . 0.3584 1.1333 1.2033 0.1400 0.0399 -0.0451 508 CLA C C8 ? ? 1 +56669 C C9 . CLA GE . 0.3512 1.1246 1.1933 0.1295 0.0438 -0.0434 508 CLA C C9 ? ? 1 +56670 C C10 . CLA GE . 0.3642 1.1563 1.2250 0.1446 0.0359 -0.0474 508 CLA C C10 ? ? 1 +56671 C C11 . CLA GE . 0.3620 1.1677 1.2344 0.1382 0.0339 -0.0473 508 CLA C C11 ? ? 1 +56672 C C12 . CLA GE . 0.3720 1.1970 1.2622 0.1441 0.0328 -0.0514 508 CLA C C12 ? ? 1 +56673 C C13 . CLA GE . 0.3787 1.2146 1.2784 0.1411 0.0270 -0.0510 508 CLA C C13 ? ? 1 +56674 C C14 . CLA GE . 0.3751 1.2216 1.2837 0.1316 0.0318 -0.0518 508 CLA C C14 ? ? 1 +56675 C C15 . CLA GE . 0.3919 1.2426 1.3054 0.1496 0.0228 -0.0545 508 CLA C C15 ? ? 1 +56676 C C16 . CLA GE . 0.3941 1.2498 1.3116 0.1488 0.0147 -0.0533 508 CLA C C16 ? ? 1 +56677 C C17 . CLA GE . 0.3999 1.2771 1.3369 0.1535 0.0130 -0.0579 508 CLA C C17 ? ? 1 +56678 C C18 . CLA GE . 0.4057 1.2896 1.3480 0.1553 0.0042 -0.0577 508 CLA C C18 ? ? 1 +56679 C C19 . CLA GE . 0.4053 1.3118 1.3678 0.1538 0.0031 -0.0617 508 CLA C C19 ? ? 1 +56680 C C20 . CLA GE . 0.4075 1.2751 1.3346 0.1571 -0.0032 -0.0533 508 CLA C C20 ? ? 1 +56681 C C1 . HTG GF . 1.0339 1.4228 1.6862 -0.2335 0.1481 0.0515 410 HTG D C1 ? ? 1 +56682 S S1 . HTG GF . 1.0373 1.4540 1.7104 -0.2299 0.1379 0.0464 410 HTG D S1 ? ? 1 +56683 C C2 . HTG GF . 1.0233 1.4144 1.6845 -0.2451 0.1573 0.0494 410 HTG D C2 ? ? 1 +56684 O O2 . HTG GF . 1.0113 1.4199 1.6841 -0.2455 0.1600 0.0488 410 HTG D O2 ? ? 1 +56685 C C3 . HTG GF . 1.0434 1.4098 1.6861 -0.2486 0.1662 0.0537 410 HTG D C3 ? ? 1 +56686 O O3 . HTG GF . 1.0469 1.4145 1.6974 -0.2598 0.1755 0.0518 410 HTG D O3 ? ? 1 +56687 C C4 . HTG GF . 1.0707 1.4175 1.6996 -0.2474 0.1633 0.0546 410 HTG D C4 ? ? 1 +56688 O O4 . HTG GF . 1.0834 1.4064 1.6945 -0.2505 0.1717 0.0587 410 HTG D O4 ? ? 1 +56689 C C5 . HTG GF . 1.0742 1.4210 1.6956 -0.2351 0.1537 0.0566 410 HTG D C5 ? ? 1 +56690 O O5 . HTG GF . 1.0686 1.4390 1.7079 -0.2327 0.1459 0.0524 410 HTG D O5 ? ? 1 +56691 C C6 . HTG GF . 1.0626 1.3910 1.6703 -0.2322 0.1499 0.0575 410 HTG D C6 ? ? 1 +56692 O O6 . HTG GF . 1.0487 1.3635 1.6380 -0.2221 0.1477 0.0626 410 HTG D O6 ? ? 1 +56693 C C1' . HTG GF . 0.9502 1.3618 1.6104 -0.2162 0.1286 0.0497 410 HTG D C1' ? ? 1 +56694 C C2' . HTG GF . 0.9211 1.3545 1.5955 -0.2112 0.1205 0.0468 410 HTG D C2' ? ? 1 +56695 C C3' . HTG GF . 0.9206 1.3562 1.5986 -0.2095 0.1124 0.0436 410 HTG D C3' ? ? 1 +56696 C C4' . HTG GF . 0.8824 1.3408 1.5778 -0.2078 0.1057 0.0394 410 HTG D C4' ? ? 1 +56697 MG MG . CLA GG . 0.1973 0.8714 0.9247 -0.0689 -0.0296 0.0119 607 CLA b MG ? ? 1 +56698 C CHA . CLA GG . 0.1578 0.8149 0.8706 -0.0671 -0.0227 0.0177 607 CLA b CHA ? ? 1 +56699 C CHB . CLA GG . 0.1790 0.8398 0.8978 -0.0767 -0.0278 0.0083 607 CLA b CHB ? ? 1 +56700 C CHC . CLA GG . 0.1611 0.8457 0.8933 -0.0660 -0.0399 0.0077 607 CLA b CHC ? ? 1 +56701 C CHD . CLA GG . 0.1445 0.8251 0.8731 -0.0590 -0.0326 0.0168 607 CLA b CHD ? ? 1 +56702 N NA . CLA GG . 0.1759 0.8375 0.8936 -0.0713 -0.0259 0.0130 607 CLA b NA ? ? 1 +56703 C C1A . CLA GG . 0.1693 0.8252 0.8821 -0.0703 -0.0233 0.0153 607 CLA b C1A ? ? 1 +56704 C C2A . CLA GG . 0.1785 0.8256 0.8851 -0.0729 -0.0206 0.0152 607 CLA b C2A ? ? 1 +56705 C C3A . CLA GG . 0.1782 0.8269 0.8878 -0.0766 -0.0217 0.0121 607 CLA b C3A ? ? 1 +56706 C C4A . CLA GG . 0.1757 0.8334 0.8915 -0.0747 -0.0254 0.0110 607 CLA b C4A ? ? 1 +56707 C CMA . CLA GG . 0.1808 0.8297 0.8939 -0.0816 -0.0184 0.0104 607 CLA b CMA ? ? 1 +56708 C CAA . CLA GG . 0.1839 0.8233 0.8820 -0.0698 -0.0210 0.0173 607 CLA b CAA ? ? 1 +56709 C CBA . CLA GG . 0.1890 0.8303 0.8865 -0.0677 -0.0246 0.0167 607 CLA b CBA ? ? 1 +56710 C CGA . CLA GG . 0.2016 0.8381 0.8926 -0.0639 -0.0254 0.0187 607 CLA b CGA ? ? 1 +56711 O O1A . CLA GG . 0.1960 0.8283 0.8828 -0.0618 -0.0239 0.0208 607 CLA b O1A ? ? 1 +56712 O O2A . CLA GG . 0.2250 0.8627 0.9150 -0.0626 -0.0284 0.0178 607 CLA b O2A ? ? 1 +56713 N NB . CLA GG . 0.1720 0.8455 0.8983 -0.0710 -0.0332 0.0086 607 CLA b NB ? ? 1 +56714 C C1B . CLA GG . 0.1744 0.8429 0.8979 -0.0746 -0.0320 0.0071 607 CLA b C1B ? ? 1 +56715 C C2B . CLA GG . 0.1751 0.8445 0.8987 -0.0758 -0.0353 0.0044 607 CLA b C2B ? ? 1 +56716 C C3B . CLA GG . 0.1739 0.8503 0.9011 -0.0723 -0.0390 0.0044 607 CLA b C3B ? ? 1 +56717 C C4B . CLA GG . 0.1676 0.8460 0.8965 -0.0698 -0.0372 0.0069 607 CLA b C4B ? ? 1 +56718 C CMB . CLA GG . 0.1822 0.8461 0.9025 -0.0796 -0.0350 0.0022 607 CLA b CMB ? ? 1 +56719 C CAB . CLA GG . 0.1821 0.8630 0.9113 -0.0714 -0.0436 0.0021 607 CLA b CAB ? ? 1 +56720 C CBB . CLA GG . 0.1887 0.8696 0.9187 -0.0745 -0.0453 -0.0011 607 CLA b CBB ? ? 1 +56721 N NC . CLA GG . 0.1593 0.8402 0.8891 -0.0636 -0.0348 0.0124 607 CLA b NC ? ? 1 +56722 C C1C . CLA GG . 0.1552 0.8403 0.8873 -0.0630 -0.0385 0.0105 607 CLA b C1C ? ? 1 +56723 C C2C . CLA GG . 0.1475 0.8365 0.8805 -0.0589 -0.0416 0.0114 607 CLA b C2C ? ? 1 +56724 C C3C . CLA GG . 0.1464 0.8340 0.8784 -0.0570 -0.0392 0.0141 607 CLA b C3C ? ? 1 +56725 C C4C . CLA GG . 0.1495 0.8328 0.8799 -0.0601 -0.0354 0.0144 607 CLA b C4C ? ? 1 +56726 C CMC . CLA GG . 0.1469 0.8396 0.8808 -0.0569 -0.0461 0.0099 607 CLA b CMC ? ? 1 +56727 C CAC . CLA GG . 0.1455 0.8350 0.8774 -0.0530 -0.0403 0.0162 607 CLA b CAC ? ? 1 +56728 C CBC . CLA GG . 0.1454 0.8290 0.8699 -0.0505 -0.0406 0.0186 607 CLA b CBC ? ? 1 +56729 N ND . CLA GG . 0.1572 0.8269 0.8786 -0.0640 -0.0285 0.0163 607 CLA b ND ? ? 1 +56730 C C1D . CLA GG . 0.1476 0.8220 0.8721 -0.0610 -0.0293 0.0176 607 CLA b C1D ? ? 1 +56731 C C2D . CLA GG . 0.1471 0.8179 0.8685 -0.0595 -0.0270 0.0201 607 CLA b C2D ? ? 1 +56732 C C3D . CLA GG . 0.1497 0.8140 0.8666 -0.0620 -0.0244 0.0200 607 CLA b C3D ? ? 1 +56733 C C4D . CLA GG . 0.1512 0.8156 0.8690 -0.0647 -0.0252 0.0178 607 CLA b C4D ? ? 1 +56734 C CMD . CLA GG . 0.1449 0.8171 0.8666 -0.0564 -0.0269 0.0222 607 CLA b CMD ? ? 1 +56735 C CAD . CLA GG . 0.1518 0.8088 0.8629 -0.0625 -0.0214 0.0216 607 CLA b CAD ? ? 1 +56736 O OBD . CLA GG . 0.1444 0.7996 0.8534 -0.0605 -0.0202 0.0236 607 CLA b OBD ? ? 1 +56737 C CBD . CLA GG . 0.1575 0.8093 0.8655 -0.0657 -0.0201 0.0202 607 CLA b CBD ? ? 1 +56738 C CGD . CLA GG . 0.1569 0.8065 0.8652 -0.0687 -0.0164 0.0199 607 CLA b CGD ? ? 1 +56739 O O1D . CLA GG . 0.1587 0.8011 0.8619 -0.0706 -0.0140 0.0201 607 CLA b O1D ? ? 1 +56740 O O2D . CLA GG . 0.1507 0.8066 0.8654 -0.0692 -0.0154 0.0195 607 CLA b O2D ? ? 1 +56741 C CED . CLA GG . 0.1556 0.8088 0.8697 -0.0718 -0.0115 0.0195 607 CLA b CED ? ? 1 +56742 C C1 . CLA GG . 0.2477 0.8831 0.9331 -0.0587 -0.0294 0.0195 607 CLA b C1 ? ? 1 +56743 C C2 . CLA GG . 0.2669 0.9035 0.9515 -0.0583 -0.0323 0.0179 607 CLA b C2 ? ? 1 +56744 C C3 . CLA GG . 0.2988 0.9331 0.9787 -0.0551 -0.0333 0.0189 607 CLA b C3 ? ? 1 +56745 C C4 . CLA GG . 0.2989 0.9300 0.9751 -0.0519 -0.0317 0.0215 607 CLA b C4 ? ? 1 +56746 C C5 . CLA GG . 0.3301 0.9650 1.0086 -0.0549 -0.0362 0.0171 607 CLA b C5 ? ? 1 +56747 C C6 . CLA GG . 0.3488 0.9877 1.0277 -0.0514 -0.0382 0.0183 607 CLA b C6 ? ? 1 +56748 C C7 . CLA GG . 0.3690 1.0036 1.0416 -0.0499 -0.0396 0.0176 607 CLA b C7 ? ? 1 +56749 C C8 . CLA GG . 0.3844 1.0210 1.0553 -0.0464 -0.0411 0.0189 607 CLA b C8 ? ? 1 +56750 C C9 . CLA GG . 0.3969 1.0361 1.0695 -0.0437 -0.0398 0.0217 607 CLA b C9 ? ? 1 +56751 C C10 . CLA GG . 0.4163 1.0527 1.0844 -0.0459 -0.0441 0.0171 607 CLA b C10 ? ? 1 +56752 C C11 . CLA GG . 0.4425 1.0815 1.1096 -0.0427 -0.0457 0.0184 607 CLA b C11 ? ? 1 +56753 C C12 . CLA GG . 0.4570 1.0913 1.1167 -0.0410 -0.0469 0.0177 607 CLA b C12 ? ? 1 +56754 C C13 . CLA GG . 0.4442 1.0804 1.1020 -0.0382 -0.0491 0.0183 607 CLA b C13 ? ? 1 +56755 C C14 . CLA GG . 0.4524 1.0906 1.1117 -0.0359 -0.0470 0.0214 607 CLA b C14 ? ? 1 +56756 C C15 . CLA GG . 0.4219 1.0525 1.0713 -0.0367 -0.0499 0.0175 607 CLA b C15 ? ? 1 +56757 C C16 . CLA GG . 0.4041 1.0360 1.0509 -0.0348 -0.0534 0.0168 607 CLA b C16 ? ? 1 +56758 C C17 . CLA GG . 0.3968 1.0225 1.0343 -0.0323 -0.0529 0.0173 607 CLA b C17 ? ? 1 +56759 C C18 . CLA GG . 0.4000 1.0250 1.0327 -0.0305 -0.0565 0.0161 607 CLA b C18 ? ? 1 +56760 C C19 . CLA GG . 0.4058 1.0250 1.0290 -0.0274 -0.0556 0.0171 607 CLA b C19 ? ? 1 +56761 C C20 . CLA GG . 0.4226 1.0524 1.0595 -0.0317 -0.0609 0.0138 607 CLA b C20 ? ? 1 +56762 MG MG . CLA GH . 0.6986 1.0130 0.9568 0.1756 0.1074 -0.0462 504 CLA c MG ? ? 1 +56763 C CHA . CLA GH . 0.6570 0.9891 0.9472 0.1680 0.0946 -0.0414 504 CLA c CHA ? ? 1 +56764 C CHB . CLA GH . 0.7073 1.0324 0.9795 0.1961 0.1186 -0.0488 504 CLA c CHB ? ? 1 +56765 C CHC . CLA GH . 0.7222 1.0417 0.9675 0.1821 0.1259 -0.0471 504 CLA c CHC ? ? 1 +56766 C CHD . CLA GH . 0.6786 0.9997 0.9375 0.1548 0.0980 -0.0414 504 CLA c CHD ? ? 1 +56767 N NA . CLA GH . 0.6836 1.0110 0.9619 0.1808 0.1070 -0.0450 504 CLA c NA ? ? 1 +56768 C C1A . CLA GH . 0.6679 1.0000 0.9563 0.1773 0.1013 -0.0433 504 CLA c C1A ? ? 1 +56769 C C2A . CLA GH . 0.6669 1.0006 0.9620 0.1839 0.1012 -0.0438 504 CLA c C2A ? ? 1 +56770 C C3A . CLA GH . 0.6817 1.0152 0.9729 0.1928 0.1089 -0.0461 504 CLA c C3A ? ? 1 +56771 C C4A . CLA GH . 0.6912 1.0196 0.9710 0.1897 0.1118 -0.0466 504 CLA c C4A ? ? 1 +56772 C CMA . CLA GH . 0.6991 1.0169 0.9784 0.1998 0.1084 -0.0490 504 CLA c CMA ? ? 1 +56773 C CAA . CLA GH . 0.6437 0.9942 0.9589 0.1828 0.0992 -0.0410 504 CLA c CAA ? ? 1 +56774 C CBA . CLA GH . 0.6268 0.9971 0.9573 0.1818 0.1040 -0.0389 504 CLA c CBA ? ? 1 +56775 C CGA . CLA GH . 0.6027 0.9862 0.9487 0.1752 0.0997 -0.0356 504 CLA c CGA ? ? 1 +56776 O O1A . CLA GH . 0.5952 0.9755 0.9432 0.1727 0.0937 -0.0349 504 CLA c O1A ? ? 1 +56777 O O2A . CLA GH . 0.5860 0.9861 0.9445 0.1720 0.1032 -0.0334 504 CLA c O2A ? ? 1 +56778 N NB . CLA GH . 0.7115 1.0333 0.9710 0.1866 0.1200 -0.0477 504 CLA c NB ? ? 1 +56779 C C1B . CLA GH . 0.7155 1.0399 0.9799 0.1946 0.1235 -0.0490 504 CLA c C1B ? ? 1 +56780 C C2B . CLA GH . 0.7260 1.0556 0.9907 0.2021 0.1328 -0.0503 504 CLA c C2B ? ? 1 +56781 C C3B . CLA GH . 0.7312 1.0590 0.9878 0.1977 0.1353 -0.0497 504 CLA c C3B ? ? 1 +56782 C C4B . CLA GH . 0.7222 1.0445 0.9753 0.1886 0.1268 -0.0482 504 CLA c C4B ? ? 1 +56783 C CMB . CLA GH . 0.7316 1.0662 1.0022 0.2119 0.1384 -0.0520 504 CLA c CMB ? ? 1 +56784 C CAB . CLA GH . 0.7453 1.0759 0.9982 0.2028 0.1449 -0.0507 504 CLA c CAB ? ? 1 +56785 C CBB . CLA GH . 0.7565 1.0826 0.9987 0.2001 0.1480 -0.0506 504 CLA c CBB ? ? 1 +56786 N NC . CLA GH . 0.6991 1.0184 0.9527 0.1697 0.1109 -0.0445 504 CLA c NC ? ? 1 +56787 C C1C . CLA GH . 0.7109 1.0302 0.9579 0.1731 0.1181 -0.0452 504 CLA c C1C ? ? 1 +56788 C C2C . CLA GH . 0.7096 1.0305 0.9524 0.1675 0.1186 -0.0436 504 CLA c C2C ? ? 1 +56789 C C3C . CLA GH . 0.6976 1.0191 0.9446 0.1597 0.1100 -0.0419 504 CLA c C3C ? ? 1 +56790 C C4C . CLA GH . 0.6925 1.0122 0.9450 0.1617 0.1062 -0.0428 504 CLA c C4C ? ? 1 +56791 C CMC . CLA GH . 0.7201 1.0412 0.9554 0.1693 0.1259 -0.0435 504 CLA c CMC ? ? 1 +56792 C CAC . CLA GH . 0.6928 1.0154 0.9379 0.1519 0.1060 -0.0400 504 CLA c CAC ? ? 1 +56793 C CBC . CLA GH . 0.6741 1.0155 0.9379 0.1488 0.1078 -0.0362 504 CLA c CBC ? ? 1 +56794 N ND . CLA GH . 0.6718 1.0003 0.9466 0.1645 0.1002 -0.0419 504 CLA c ND ? ? 1 +56795 C C1D . CLA GH . 0.6687 0.9931 0.9378 0.1562 0.0951 -0.0410 504 CLA c C1D ? ? 1 +56796 C C2D . CLA GH . 0.6546 0.9810 0.9311 0.1497 0.0875 -0.0395 504 CLA c C2D ? ? 1 +56797 C C3D . CLA GH . 0.6516 0.9805 0.9359 0.1547 0.0878 -0.0397 504 CLA c C3D ? ? 1 +56798 C C4D . CLA GH . 0.6618 0.9905 0.9436 0.1626 0.0944 -0.0412 504 CLA c C4D ? ? 1 +56799 C CMD . CLA GH . 0.6470 0.9732 0.9243 0.1409 0.0806 -0.0381 504 CLA c CMD ? ? 1 +56800 C CAD . CLA GH . 0.6422 0.9731 0.9355 0.1539 0.0832 -0.0388 504 CLA c CAD ? ? 1 +56801 O OBD . CLA GH . 0.6340 0.9650 0.9310 0.1470 0.0769 -0.0375 504 CLA c OBD ? ? 1 +56802 C CBD . CLA GH . 0.6448 0.9773 0.9416 0.1628 0.0874 -0.0399 504 CLA c CBD ? ? 1 +56803 C CGD . CLA GH . 0.6548 0.9710 0.9408 0.1649 0.0837 -0.0422 504 CLA c CGD ? ? 1 +56804 O O1D . CLA GH . 0.6488 0.9665 0.9417 0.1655 0.0807 -0.0414 504 CLA c O1D ? ? 1 +56805 O O2D . CLA GH . 0.6736 0.9716 0.9403 0.1659 0.0837 -0.0454 504 CLA c O2D ? ? 1 +56806 C CED . CLA GH . 0.6869 0.9692 0.9435 0.1684 0.0808 -0.0476 504 CLA c CED ? ? 1 +56807 C C1 . CLA GH . 0.5664 0.9793 0.9402 0.1670 0.0995 -0.0306 504 CLA c C1 ? ? 1 +56808 C C2 . CLA GH . 0.5553 0.9848 0.9414 0.1648 0.1044 -0.0286 504 CLA c C2 ? ? 1 +56809 C C3 . CLA GH . 0.5455 0.9807 0.9360 0.1570 0.1023 -0.0262 504 CLA c C3 ? ? 1 +56810 C C4 . CLA GH . 0.5421 0.9682 0.9262 0.1498 0.0947 -0.0252 504 CLA c C4 ? ? 1 +56811 C C5 . CLA GH . 0.5366 0.9880 0.9393 0.1553 0.1078 -0.0244 504 CLA c C5 ? ? 1 +56812 C C6 . CLA GH . 0.5485 0.9955 0.9407 0.1560 0.1140 -0.0252 504 CLA c C6 ? ? 1 +56813 C C7 . CLA GH . 0.5379 1.0009 0.9427 0.1533 0.1193 -0.0230 504 CLA c C7 ? ? 1 +56814 C C8 . CLA GH . 0.5265 0.9928 0.9341 0.1447 0.1157 -0.0201 504 CLA c C8 ? ? 1 +56815 C C9 . CLA GH . 0.5159 0.9984 0.9375 0.1416 0.1203 -0.0178 504 CLA c C9 ? ? 1 +56816 C C10 . CLA GH . 0.5250 0.9792 0.9224 0.1390 0.1078 -0.0196 504 CLA c C10 ? ? 1 +56817 C C11 . CLA GH . 0.5365 0.9808 0.9182 0.1378 0.1108 -0.0202 504 CLA c C11 ? ? 1 +56818 C C12 . CLA GH . 0.5462 0.9732 0.9112 0.1357 0.1047 -0.0216 504 CLA c C12 ? ? 1 +56819 C C13 . CLA GH . 0.5324 0.9601 0.9015 0.1283 0.0968 -0.0197 504 CLA c C13 ? ? 1 +56820 C C14 . CLA GH . 0.5232 0.9596 0.8979 0.1227 0.0977 -0.0169 504 CLA c C14 ? ? 1 +56821 C C15 . CLA GH . 0.5421 0.9531 0.8951 0.1261 0.0908 -0.0215 504 CLA c C15 ? ? 1 +56822 C C16 . CLA GH . 0.5501 0.9516 0.8978 0.1307 0.0889 -0.0241 504 CLA c C16 ? ? 1 +56823 C C17 . CLA GH . 0.5577 0.9441 0.8924 0.1268 0.0819 -0.0257 504 CLA c C17 ? ? 1 +56824 C C18 . CLA GH . 0.5767 0.9478 0.8921 0.1287 0.0831 -0.0284 504 CLA c C18 ? ? 1 +56825 C C19 . CLA GH . 0.5906 0.9593 0.8982 0.1348 0.0909 -0.0298 504 CLA c C19 ? ? 1 +56826 C C20 . CLA GH . 0.5852 0.9412 0.8871 0.1246 0.0762 -0.0304 504 CLA c C20 ? ? 1 +56827 MG MG A CLA GI . 0.2820 0.8505 0.8599 0.0006 -0.0124 0.0214 402 CLA d MG ? ? 1 +56828 MG MG B CLA GI . 0.2853 0.8536 0.8626 0.0006 -0.0125 0.0213 402 CLA d MG ? ? 1 +56829 C CHA A CLA GI . 0.2595 0.8314 0.8432 -0.0089 -0.0206 0.0206 402 CLA d CHA ? ? 1 +56830 C CHA B CLA GI . 0.2533 0.8255 0.8372 -0.0090 -0.0207 0.0207 402 CLA d CHA ? ? 1 +56831 C CHB A CLA GI . 0.2636 0.8467 0.8503 0.0006 -0.0093 0.0255 402 CLA d CHB ? ? 1 +56832 C CHB B CLA GI . 0.2594 0.8425 0.8460 0.0006 -0.0092 0.0255 402 CLA d CHB ? ? 1 +56833 C CHC A CLA GI . 0.2942 0.8559 0.8595 0.0105 -0.0043 0.0203 402 CLA d CHC ? ? 1 +56834 C CHC B CLA GI . 0.2858 0.8469 0.8500 0.0103 -0.0045 0.0202 402 CLA d CHC ? ? 1 +56835 C CHD A CLA GI . 0.2940 0.8404 0.8545 -0.0005 -0.0158 0.0159 402 CLA d CHD ? ? 1 +56836 C CHD B CLA GI . 0.2844 0.8311 0.8450 -0.0007 -0.0159 0.0159 402 CLA d CHD ? ? 1 +56837 N NA A CLA GI . 0.2667 0.8422 0.8499 -0.0030 -0.0148 0.0228 402 CLA d NA ? ? 1 +56838 N NA B CLA GI . 0.2643 0.8399 0.8472 -0.0031 -0.0148 0.0228 402 CLA d NA ? ? 1 +56839 C C1A A CLA GI . 0.2597 0.8360 0.8448 -0.0064 -0.0181 0.0224 402 CLA d C1A ? ? 1 +56840 C C1A B CLA GI . 0.2558 0.8323 0.8410 -0.0065 -0.0181 0.0224 402 CLA d C1A ? ? 1 +56841 C C2A A CLA GI . 0.2513 0.8343 0.8420 -0.0080 -0.0188 0.0240 402 CLA d C2A ? ? 1 +56842 C C2A B CLA GI . 0.2484 0.8315 0.8391 -0.0080 -0.0189 0.0240 402 CLA d C2A ? ? 1 +56843 C C3A A CLA GI . 0.2504 0.8371 0.8432 -0.0052 -0.0151 0.0258 402 CLA d C3A ? ? 1 +56844 C C3A B CLA GI . 0.2471 0.8339 0.8399 -0.0052 -0.0151 0.0258 402 CLA d C3A ? ? 1 +56845 C C4A A CLA GI . 0.2602 0.8416 0.8472 -0.0023 -0.0129 0.0246 402 CLA d C4A ? ? 1 +56846 C C4A B CLA GI . 0.2567 0.8382 0.8436 -0.0023 -0.0129 0.0247 402 CLA d C4A ? ? 1 +56847 C CMA A CLA GI . 0.2400 0.8334 0.8421 -0.0056 -0.0141 0.0274 402 CLA d CMA ? ? 1 +56848 C CMA B CLA GI . 0.2364 0.8300 0.8384 -0.0056 -0.0141 0.0274 402 CLA d CMA ? ? 1 +56849 C CAA A CLA GI . 0.2531 0.8345 0.8394 -0.0093 -0.0213 0.0233 402 CLA d CAA ? ? 1 +56850 C CAA B CLA GI . 0.2515 0.8327 0.8374 -0.0092 -0.0214 0.0232 402 CLA d CAA ? ? 1 +56851 C CBA A CLA GI . 0.2627 0.8374 0.8393 -0.0069 -0.0203 0.0220 402 CLA d CBA ? ? 1 +56852 C CBA B CLA GI . 0.2620 0.8370 0.8384 -0.0067 -0.0200 0.0222 402 CLA d CBA ? ? 1 +56853 C CGA A CLA GI . 0.2666 0.8398 0.8378 -0.0071 -0.0220 0.0217 402 CLA d CGA ? ? 1 +56854 C CGA B CLA GI . 0.2676 0.8406 0.8384 -0.0072 -0.0223 0.0216 402 CLA d CGA ? ? 1 +56855 O O1A A CLA GI . 0.2617 0.8389 0.8367 -0.0088 -0.0242 0.0224 402 CLA d O1A ? ? 1 +56856 O O1A B CLA GI . 0.2633 0.8400 0.8378 -0.0091 -0.0248 0.0221 402 CLA d O1A ? ? 1 +56857 O O2A A CLA GI . 0.2772 0.8438 0.8384 -0.0048 -0.0211 0.0205 402 CLA d O2A ? ? 1 +56858 O O2A B CLA GI . 0.2806 0.8469 0.8413 -0.0049 -0.0215 0.0204 402 CLA d O2A ? ? 1 +56859 N NB A CLA GI . 0.2810 0.8529 0.8574 0.0045 -0.0079 0.0226 402 CLA d NB ? ? 1 +56860 N NB B CLA GI . 0.2771 0.8487 0.8527 0.0045 -0.0079 0.0226 402 CLA d NB ? ? 1 +56861 C C1B A CLA GI . 0.2738 0.8522 0.8549 0.0040 -0.0067 0.0244 402 CLA d C1B ? ? 1 +56862 C C1B B CLA GI . 0.2692 0.8474 0.8498 0.0040 -0.0067 0.0244 402 CLA d C1B ? ? 1 +56863 C C2B A CLA GI . 0.2767 0.8565 0.8560 0.0069 -0.0026 0.0251 402 CLA d C2B ? ? 1 +56864 C C2B B CLA GI . 0.2705 0.8502 0.8495 0.0069 -0.0025 0.0252 402 CLA d C2B ? ? 1 +56865 C C3B A CLA GI . 0.2854 0.8592 0.8586 0.0099 -0.0012 0.0235 402 CLA d C3B ? ? 1 +56866 C C3B B CLA GI . 0.2796 0.8532 0.8521 0.0099 -0.0011 0.0235 402 CLA d C3B ? ? 1 +56867 C C4B A CLA GI . 0.2866 0.8559 0.8585 0.0083 -0.0046 0.0222 402 CLA d C4B ? ? 1 +56868 C C4B B CLA GI . 0.2806 0.8494 0.8516 0.0082 -0.0046 0.0221 402 CLA d C4B ? ? 1 +56869 C CMB A CLA GI . 0.2736 0.8591 0.8564 0.0068 -0.0001 0.0270 402 CLA d CMB ? ? 1 +56870 C CMB B CLA GI . 0.2664 0.8522 0.8494 0.0068 0.0000 0.0271 402 CLA d CMB ? ? 1 +56871 C CAB A CLA GI . 0.2915 0.8646 0.8613 0.0137 0.0032 0.0234 402 CLA d CAB ? ? 1 +56872 C CAB B CLA GI . 0.2854 0.8586 0.8548 0.0136 0.0034 0.0235 402 CLA d CAB ? ? 1 +56873 C CBB A CLA GI . 0.2983 0.8668 0.8641 0.0168 0.0045 0.0219 402 CLA d CBB ? ? 1 +56874 C CBB B CLA GI . 0.2923 0.8617 0.8581 0.0170 0.0053 0.0222 402 CLA d CBB ? ? 1 +56875 N NC A CLA GI . 0.2923 0.8493 0.8580 0.0043 -0.0109 0.0189 402 CLA d NC ? ? 1 +56876 N NC B CLA GI . 0.2850 0.8418 0.8501 0.0041 -0.0110 0.0188 402 CLA d NC ? ? 1 +56877 C C1C A CLA GI . 0.2969 0.8522 0.8586 0.0084 -0.0075 0.0187 402 CLA d C1C ? ? 1 +56878 C C1C B CLA GI . 0.2875 0.8425 0.8485 0.0081 -0.0077 0.0186 402 CLA d C1C ? ? 1 +56879 C C2C A CLA GI . 0.3061 0.8520 0.8589 0.0105 -0.0071 0.0166 402 CLA d C2C ? ? 1 +56880 C C2C B CLA GI . 0.2940 0.8397 0.8463 0.0103 -0.0072 0.0166 402 CLA d C2C ? ? 1 +56881 C C3C A CLA GI . 0.3074 0.8487 0.8588 0.0071 -0.0105 0.0154 402 CLA d C3C ? ? 1 +56882 C C3C B CLA GI . 0.2946 0.8360 0.8459 0.0069 -0.0107 0.0154 402 CLA d C3C ? ? 1 +56883 C C4C A CLA GI . 0.2975 0.8464 0.8574 0.0036 -0.0124 0.0169 402 CLA d C4C ? ? 1 +56884 C C4C B CLA GI . 0.2872 0.8361 0.8469 0.0034 -0.0126 0.0169 402 CLA d C4C ? ? 1 +56885 C CMC A CLA GI . 0.3147 0.8566 0.8613 0.0151 -0.0037 0.0158 402 CLA d CMC ? ? 1 +56886 C CMC B CLA GI . 0.3018 0.8435 0.8479 0.0149 -0.0039 0.0158 402 CLA d CMC ? ? 1 +56887 C CAC A CLA GI . 0.3176 0.8487 0.8613 0.0069 -0.0117 0.0131 402 CLA d CAC ? ? 1 +56888 C CAC B CLA GI . 0.3020 0.8333 0.8457 0.0068 -0.0117 0.0132 402 CLA d CAC ? ? 1 +56889 C CBC A CLA GI . 0.3175 0.8477 0.8629 0.0102 -0.0096 0.0137 402 CLA d CBC ? ? 1 +56890 C CBC B CLA GI . 0.3010 0.8316 0.8467 0.0102 -0.0096 0.0138 402 CLA d CBC ? ? 1 +56891 N ND A CLA GI . 0.2791 0.8396 0.8508 -0.0036 -0.0171 0.0187 402 CLA d ND ? ? 1 +56892 N ND B CLA GI . 0.2736 0.8344 0.8454 -0.0037 -0.0172 0.0187 402 CLA d ND ? ? 1 +56893 C C1D A CLA GI . 0.2833 0.8363 0.8505 -0.0041 -0.0179 0.0169 402 CLA d C1D ? ? 1 +56894 C C1D B CLA GI . 0.2751 0.8284 0.8426 -0.0043 -0.0181 0.0169 402 CLA d C1D ? ? 1 +56895 C C2D A CLA GI . 0.2785 0.8308 0.8482 -0.0086 -0.0211 0.0160 402 CLA d C2D ? ? 1 +56896 C C2D B CLA GI . 0.2688 0.8215 0.8388 -0.0087 -0.0211 0.0161 402 CLA d C2D ? ? 1 +56897 C C3D A CLA GI . 0.2692 0.8300 0.8460 -0.0102 -0.0220 0.0176 402 CLA d C3D ? ? 1 +56898 C C3D B CLA GI . 0.2614 0.8226 0.8386 -0.0103 -0.0221 0.0176 402 CLA d C3D ? ? 1 +56899 C C4D A CLA GI . 0.2680 0.8327 0.8456 -0.0073 -0.0197 0.0191 402 CLA d C4D ? ? 1 +56900 C C4D B CLA GI . 0.2611 0.8261 0.8390 -0.0074 -0.0198 0.0191 402 CLA d C4D ? ? 1 +56901 C CMD A CLA GI . 0.2822 0.8278 0.8489 -0.0113 -0.0228 0.0141 402 CLA d CMD ? ? 1 +56902 C CMD B CLA GI . 0.2708 0.8168 0.8379 -0.0114 -0.0228 0.0142 402 CLA d CMD ? ? 1 +56903 C CAD A CLA GI . 0.2597 0.8262 0.8432 -0.0139 -0.0245 0.0180 402 CLA d CAD ? ? 1 +56904 C CAD B CLA GI . 0.2518 0.8187 0.8358 -0.0140 -0.0245 0.0181 402 CLA d CAD ? ? 1 +56905 O OBD A CLA GI . 0.2568 0.8220 0.8419 -0.0174 -0.0267 0.0169 402 CLA d OBD ? ? 1 +56906 O OBD B CLA GI . 0.2488 0.8146 0.8346 -0.0174 -0.0266 0.0170 402 CLA d OBD ? ? 1 +56907 C CBD A CLA GI . 0.2546 0.8285 0.8428 -0.0130 -0.0238 0.0201 402 CLA d CBD ? ? 1 +56908 C CBD B CLA GI . 0.2475 0.8216 0.8360 -0.0130 -0.0238 0.0202 402 CLA d CBD ? ? 1 +56909 C CGD A CLA GI . 0.2436 0.8240 0.8406 -0.0138 -0.0233 0.0219 402 CLA d CGD ? ? 1 +56910 C CGD B CLA GI . 0.2358 0.8164 0.8331 -0.0137 -0.0231 0.0221 402 CLA d CGD ? ? 1 +56911 O O1D A CLA GI . 0.2427 0.8222 0.8416 -0.0134 -0.0222 0.0222 402 CLA d O1D ? ? 1 +56912 O O1D B CLA GI . 0.2345 0.8146 0.8335 -0.0125 -0.0215 0.0226 402 CLA d O1D ? ? 1 +56913 O O2D A CLA GI . 0.2346 0.8220 0.8377 -0.0151 -0.0240 0.0234 402 CLA d O2D ? ? 1 +56914 O O2D B CLA GI . 0.2256 0.8131 0.8293 -0.0155 -0.0243 0.0233 402 CLA d O2D ? ? 1 +56915 C CED A CLA GI . 0.2262 0.8191 0.8368 -0.0154 -0.0231 0.0251 402 CLA d CED ? ? 1 +56916 C CED B CLA GI . 0.2172 0.8102 0.8283 -0.0156 -0.0232 0.0251 402 CLA d CED ? ? 1 +56917 C C1 A CLA GI . 0.2840 0.8484 0.8388 -0.0042 -0.0223 0.0204 402 CLA d C1 ? ? 1 +56918 C C1 B CLA GI . 0.2898 0.8539 0.8440 -0.0042 -0.0225 0.0203 402 CLA d C1 ? ? 1 +56919 C C2 A CLA GI . 0.2836 0.8508 0.8386 -0.0020 -0.0185 0.0229 402 CLA d C2 ? ? 1 +56920 C C2 B CLA GI . 0.2906 0.8577 0.8454 -0.0021 -0.0187 0.0229 402 CLA d C2 ? ? 1 +56921 C C3 A CLA GI . 0.2812 0.8524 0.8392 -0.0029 -0.0193 0.0246 402 CLA d C3 ? ? 1 +56922 C C3 B CLA GI . 0.2917 0.8631 0.8499 -0.0030 -0.0194 0.0246 402 CLA d C3 ? ? 1 +56923 C C4 A CLA GI . 0.2766 0.8502 0.8380 -0.0057 -0.0243 0.0239 402 CLA d C4 ? ? 1 +56924 C C4 B CLA GI . 0.2860 0.8601 0.8480 -0.0058 -0.0243 0.0241 402 CLA d C4 ? ? 1 +56925 C C5 A CLA GI . 0.2832 0.8564 0.8410 -0.0012 -0.0151 0.0270 402 CLA d C5 ? ? 1 +56926 C C5 B CLA GI . 0.2972 0.8708 0.8556 -0.0013 -0.0152 0.0271 402 CLA d C5 ? ? 1 +56927 C C6 A CLA GI . 0.2747 0.8557 0.8436 -0.0024 -0.0134 0.0291 402 CLA d C6 ? ? 1 +56928 C C6 B CLA GI . 0.2932 0.8746 0.8626 -0.0026 -0.0136 0.0291 402 CLA d C6 ? ? 1 +56929 C C7 A CLA GI . 0.2735 0.8565 0.8475 -0.0018 -0.0112 0.0287 402 CLA d C7 ? ? 1 +56930 C C7 B CLA GI . 0.2965 0.8801 0.8712 -0.0018 -0.0110 0.0289 402 CLA d C7 ? ? 1 +56931 C C8 A CLA GI . 0.2659 0.8555 0.8506 -0.0034 -0.0115 0.0295 402 CLA d C8 ? ? 1 +56932 C C8 B CLA GI . 0.2938 0.8840 0.8792 -0.0036 -0.0114 0.0297 402 CLA d C8 ? ? 1 +56933 C C9 A CLA GI . 0.2590 0.8520 0.8495 -0.0064 -0.0153 0.0296 402 CLA d C9 ? ? 1 +56934 C C9 B CLA GI . 0.2881 0.8816 0.8792 -0.0065 -0.0153 0.0298 402 CLA d C9 ? ? 1 +56935 C C10 A CLA GI . 0.2673 0.8591 0.8559 -0.0016 -0.0079 0.0297 402 CLA d C10 ? ? 1 +56936 C C10 B CLA GI . 0.2998 0.8922 0.8893 -0.0018 -0.0080 0.0299 402 CLA d C10 ? ? 1 +56937 C C11 A CLA GI . 0.2618 0.8613 0.8603 -0.0024 -0.0063 0.0316 402 CLA d C11 ? ? 1 +56938 C C11 B CLA GI . 0.3005 0.9005 0.8997 -0.0025 -0.0062 0.0318 402 CLA d C11 ? ? 1 +56939 C C12 A CLA GI . 0.2655 0.8678 0.8684 -0.0004 -0.0033 0.0315 402 CLA d C12 ? ? 1 +56940 C C12 B CLA GI . 0.3133 0.9158 0.9165 -0.0004 -0.0034 0.0316 402 CLA d C12 ? ? 1 +56941 C C13 A CLA GI . 0.2612 0.8712 0.8741 -0.0012 -0.0023 0.0330 402 CLA d C13 ? ? 1 +56942 C C13 B CLA GI . 0.3174 0.9276 0.9307 -0.0011 -0.0023 0.0329 402 CLA d C13 ? ? 1 +56943 C C14 A CLA GI . 0.2592 0.8711 0.8766 0.0003 -0.0018 0.0323 402 CLA d C14 ? ? 1 +56944 C C14 B CLA GI . 0.3169 0.9286 0.9341 0.0005 -0.0019 0.0322 402 CLA d C14 ? ? 1 +56945 C C15 A CLA GI . 0.2668 0.8804 0.8815 -0.0004 0.0019 0.0343 402 CLA d C15 ? ? 1 +56946 C C15 B CLA GI . 0.3312 0.9451 0.9465 -0.0003 0.0019 0.0343 402 CLA d C15 ? ? 1 +56947 C C16 A CLA GI . 0.2617 0.8828 0.8864 -0.0018 0.0024 0.0357 402 CLA d C16 ? ? 1 +56948 C C16 B CLA GI . 0.3340 0.9551 0.9587 -0.0022 0.0020 0.0357 402 CLA d C16 ? ? 1 +56949 C C17 A CLA GI . 0.2658 0.8888 0.8908 -0.0028 0.0050 0.0373 402 CLA d C17 ? ? 1 +56950 C C17 B CLA GI . 0.3432 0.9661 0.9679 -0.0029 0.0049 0.0373 402 CLA d C17 ? ? 1 +56951 C C18 A CLA GI . 0.2718 0.8995 0.9013 -0.0015 0.0098 0.0377 402 CLA d C18 ? ? 1 +56952 C C18 B CLA GI . 0.3570 0.9847 0.9865 -0.0016 0.0096 0.0377 402 CLA d C18 ? ? 1 +56953 C C19 A CLA GI . 0.2804 0.9069 0.9060 -0.0015 0.0139 0.0388 402 CLA d C19 ? ? 1 +56954 C C19 B CLA GI . 0.3698 0.9968 0.9962 -0.0017 0.0137 0.0389 402 CLA d C19 ? ? 1 +56955 C C20 A CLA GI . 0.2734 0.9060 0.9096 0.0003 0.0108 0.0368 402 CLA d C20 ? ? 1 +56956 C C20 B CLA GI . 0.3676 1.0000 1.0036 0.0002 0.0106 0.0367 402 CLA d C20 ? ? 1 +56957 C C1B . LMT GJ . 0.8251 1.3317 1.3256 0.0178 -0.0277 0.0767 103 LMT m C1B ? ? 1 +56958 C C2B . LMT GJ . 0.8232 1.3241 1.3113 0.0216 -0.0303 0.0765 103 LMT m C2B ? ? 1 +56959 C C3B . LMT GJ . 0.8634 1.3663 1.3501 0.0268 -0.0387 0.0747 103 LMT m C3B ? ? 1 +56960 C C4B . LMT GJ . 0.8789 1.3768 1.3630 0.0297 -0.0408 0.0760 103 LMT m C4B ? ? 1 +56961 C C5B . LMT GJ . 0.8494 1.3540 1.3468 0.0256 -0.0380 0.0759 103 LMT m C5B ? ? 1 +56962 C C6B . LMT GJ . 0.8327 1.3328 1.3287 0.0281 -0.0397 0.0771 103 LMT m C6B ? ? 1 +56963 O O1B . LMT GJ . 0.8045 1.3246 1.3198 0.0157 -0.0303 0.0737 103 LMT m O1B ? ? 1 +56964 O O2B . LMT GJ . 0.7755 1.2821 1.2672 0.0192 -0.0287 0.0750 103 LMT m O2B ? ? 1 +56965 O O3B . LMT GJ . 0.8982 1.3946 1.3720 0.0306 -0.0413 0.0746 103 LMT m O3B ? ? 1 +56966 O O4' . LMT GJ . 0.8933 1.3945 1.3777 0.0347 -0.0488 0.0740 103 LMT m O4' ? ? 1 +56967 O O5B . LMT GJ . 0.8427 1.3440 1.3399 0.0206 -0.0301 0.0778 103 LMT m O5B ? ? 1 +56968 O O6B . LMT GJ . 0.8216 1.3075 1.3012 0.0323 -0.0398 0.0797 103 LMT m O6B ? ? 1 +56969 C C1' . LMT GJ . 0.6905 1.2411 1.2469 0.0029 -0.0248 0.0692 103 LMT m C1' ? ? 1 +56970 C C2' . LMT GJ . 0.7162 1.2603 1.2620 0.0036 -0.0223 0.0702 103 LMT m C2' ? ? 1 +56971 C C3' . LMT GJ . 0.7534 1.2877 1.2851 0.0085 -0.0253 0.0714 103 LMT m C3' ? ? 1 +56972 C C4' . LMT GJ . 0.7717 1.2991 1.2989 0.0104 -0.0259 0.0733 103 LMT m C4' ? ? 1 +56973 C C5' . LMT GJ . 0.7433 1.2794 1.2831 0.0097 -0.0289 0.0717 103 LMT m C5' ? ? 1 +56974 C C6' . LMT GJ . 0.7271 1.2569 1.2636 0.0115 -0.0295 0.0733 103 LMT m C6' ? ? 1 +56975 O O1' . LMT GJ . 0.6432 1.2000 1.2099 -0.0016 -0.0209 0.0689 103 LMT m O1' ? ? 1 +56976 O O2' . LMT GJ . 0.7204 1.2717 1.2708 0.0029 -0.0236 0.0679 103 LMT m O2' ? ? 1 +56977 O O3' . LMT GJ . 0.7727 1.2992 1.2936 0.0084 -0.0211 0.0730 103 LMT m O3' ? ? 1 +56978 O O5' . LMT GJ . 0.7208 1.2639 1.2717 0.0047 -0.0249 0.0711 103 LMT m O5' ? ? 1 +56979 O O6' . LMT GJ . 0.6822 1.2199 1.2312 0.0092 -0.0299 0.0721 103 LMT m O6' ? ? 1 +56980 C C1 . LMT GJ . 0.5947 1.1600 1.1729 -0.0026 -0.0237 0.0671 103 LMT m C1 ? ? 1 +56981 C C2 . LMT GJ . 0.5644 1.1384 1.1522 -0.0060 -0.0220 0.0655 103 LMT m C2 ? ? 1 +56982 C C3 . LMT GJ . 0.5288 1.1109 1.1287 -0.0081 -0.0229 0.0641 103 LMT m C3 ? ? 1 +56983 C C4 . LMT GJ . 0.5089 1.0986 1.1171 -0.0112 -0.0210 0.0627 103 LMT m C4 ? ? 1 +56984 C C5 . LMT GJ . 0.4982 1.0957 1.1176 -0.0131 -0.0222 0.0612 103 LMT m C5 ? ? 1 +56985 C C6 . LMT GJ . 0.5073 1.1119 1.1339 -0.0156 -0.0210 0.0597 103 LMT m C6 ? ? 1 +56986 C C7 . LMT GJ . 0.5152 1.1274 1.1516 -0.0166 -0.0234 0.0578 103 LMT m C7 ? ? 1 +56987 C C8 . LMT GJ . 0.5320 1.1503 1.1746 -0.0186 -0.0224 0.0564 103 LMT m C8 ? ? 1 +56988 C C9 . LMT GJ . 0.5581 1.1830 1.2099 -0.0200 -0.0240 0.0549 103 LMT m C9 ? ? 1 +56989 C C10 . LMT GJ . 0.5920 1.2220 1.2472 -0.0200 -0.0262 0.0529 103 LMT m C10 ? ? 1 +56990 C C11 . LMT GJ . 0.6049 1.2408 1.2686 -0.0221 -0.0260 0.0517 103 LMT m C11 ? ? 1 +56991 C C12 . LMT GJ . 0.6140 1.2531 1.2794 -0.0226 -0.0262 0.0503 103 LMT m C12 ? ? 1 +56992 MG MG . CLA GK . 0.0549 0.8620 0.9166 0.0016 0.0010 -0.0116 408 CLA A MG ? ? 1 +56993 C CHA . CLA GK . 0.0622 0.8609 0.9169 -0.0066 0.0170 -0.0113 408 CLA A CHA ? ? 1 +56994 C CHB . CLA GK . 0.0669 0.8716 0.9270 0.0160 0.0018 -0.0130 408 CLA A CHB ? ? 1 +56995 C CHC . CLA GK . 0.0506 0.8755 0.9274 0.0109 -0.0138 -0.0151 408 CLA A CHC ? ? 1 +56996 C CHD . CLA GK . 0.0456 0.8640 0.9185 -0.0132 0.0023 -0.0137 408 CLA A CHD ? ? 1 +56997 N NA . CLA GK . 0.0641 0.8677 0.9232 0.0041 0.0079 -0.0122 408 CLA A NA ? ? 1 +56998 C C1A . CLA GK . 0.0686 0.8682 0.9241 0.0004 0.0138 -0.0118 408 CLA A C1A ? ? 1 +56999 C C2A . CLA GK . 0.0805 0.8745 0.9308 0.0039 0.0171 -0.0117 408 CLA A C2A ? ? 1 +57000 C C3A . CLA GK . 0.0777 0.8704 0.9268 0.0105 0.0116 -0.0113 408 CLA A C3A ? ? 1 +57001 C C4A . CLA GK . 0.0693 0.8709 0.9266 0.0102 0.0068 -0.0124 408 CLA A C4A ? ? 1 +57002 C CMA . CLA GK . 0.0791 0.8576 0.9145 0.0113 0.0089 -0.0076 408 CLA A CMA ? ? 1 +57003 C CAA . CLA GK . 0.0961 0.8983 0.9547 0.0042 0.0230 -0.0148 408 CLA A CAA ? ? 1 +57004 C CBA . CLA GK . 0.1094 0.9266 0.9826 0.0067 0.0211 -0.0183 408 CLA A CBA ? ? 1 +57005 C CGA . CLA GK . 0.1372 0.9623 1.0185 0.0076 0.0272 -0.0215 408 CLA A CGA ? ? 1 +57006 O O1A . CLA GK . 0.1444 0.9654 1.0218 0.0044 0.0334 -0.0212 408 CLA A O1A ? ? 1 +57007 O O2A . CLA GK . 0.1875 1.0256 1.0815 0.0125 0.0257 -0.0250 408 CLA A O2A ? ? 1 +57008 N NB . CLA GK . 0.0568 0.8712 0.9251 0.0114 -0.0046 -0.0137 408 CLA A NB ? ? 1 +57009 C C1B . CLA GK . 0.0616 0.8730 0.9274 0.0168 -0.0039 -0.0137 408 CLA A C1B ? ? 1 +57010 C C2B . CLA GK . 0.0627 0.8786 0.9324 0.0240 -0.0090 -0.0149 408 CLA A C2B ? ? 1 +57011 C C3B . CLA GK . 0.0584 0.8804 0.9330 0.0224 -0.0137 -0.0156 408 CLA A C3B ? ? 1 +57012 C C4B . CLA GK . 0.0549 0.8749 0.9277 0.0146 -0.0106 -0.0146 408 CLA A C4B ? ? 1 +57013 C CMB . CLA GK . 0.0679 0.8815 0.9359 0.0310 -0.0092 -0.0154 408 CLA A CMB ? ? 1 +57014 C CAB . CLA GK . 0.0586 0.8862 0.9375 0.0274 -0.0204 -0.0167 408 CLA A CAB ? ? 1 +57015 C CBB . CLA GK . 0.0627 0.8874 0.9386 0.0345 -0.0237 -0.0163 408 CLA A CBB ? ? 1 +57016 N NC . CLA GK . 0.0487 0.8686 0.9220 -0.0008 -0.0042 -0.0140 408 CLA A NC ? ? 1 +57017 C C1C . CLA GK . 0.0476 0.8731 0.9255 0.0034 -0.0103 -0.0151 408 CLA A C1C ? ? 1 +57018 C C2C . CLA GK . 0.0445 0.8770 0.9285 0.0004 -0.0134 -0.0166 408 CLA A C2C ? ? 1 +57019 C C3C . CLA GK . 0.0427 0.8732 0.9257 -0.0069 -0.0086 -0.0162 408 CLA A C3C ? ? 1 +57020 C C4C . CLA GK . 0.0454 0.8677 0.9212 -0.0069 -0.0034 -0.0144 408 CLA A C4C ? ? 1 +57021 C CMC . CLA GK . 0.0445 0.8842 0.9342 0.0040 -0.0202 -0.0182 408 CLA A CMC ? ? 1 +57022 C CAC . CLA GK . 0.0399 0.8749 0.9275 -0.0129 -0.0088 -0.0174 408 CLA A CAC ? ? 1 +57023 C CBC . CLA GK . 0.0397 0.8876 0.9407 -0.0156 -0.0050 -0.0215 408 CLA A CBC ? ? 1 +57024 N ND . CLA GK . 0.0530 0.8646 0.9197 -0.0073 0.0082 -0.0131 408 CLA A ND ? ? 1 +57025 C C1D . CLA GK . 0.0492 0.8614 0.9166 -0.0132 0.0078 -0.0127 408 CLA A C1D ? ? 1 +57026 C C2D . CLA GK . 0.0510 0.8579 0.9139 -0.0190 0.0139 -0.0119 408 CLA A C2D ? ? 1 +57027 C C3D . CLA GK . 0.0553 0.8567 0.9128 -0.0160 0.0173 -0.0111 408 CLA A C3D ? ? 1 +57028 C C4D . CLA GK . 0.0564 0.8599 0.9156 -0.0097 0.0136 -0.0116 408 CLA A C4D ? ? 1 +57029 C CMD . CLA GK . 0.0503 0.8555 0.9121 -0.0258 0.0163 -0.0115 408 CLA A CMD ? ? 1 +57030 C CAD . CLA GK . 0.0600 0.8539 0.9104 -0.0171 0.0232 -0.0102 408 CLA A CAD ? ? 1 +57031 O OBD . CLA GK . 0.0616 0.8505 0.9073 -0.0222 0.0277 -0.0093 408 CLA A OBD ? ? 1 +57032 C CBD . CLA GK . 0.0635 0.8551 0.9115 -0.0111 0.0230 -0.0102 408 CLA A CBD ? ? 1 +57033 C CGD . CLA GK . 0.0653 0.8427 0.8991 -0.0106 0.0218 -0.0067 408 CLA A CGD ? ? 1 +57034 O O1D . CLA GK . 0.0624 0.8344 0.8907 -0.0094 0.0166 -0.0045 408 CLA A O1D ? ? 1 +57035 O O2D . CLA GK . 0.0701 0.8402 0.8966 -0.0117 0.0273 -0.0060 408 CLA A O2D ? ? 1 +57036 C CED . CLA GK . 0.0721 0.8292 0.8855 -0.0120 0.0262 -0.0029 408 CLA A CED ? ? 1 +57037 C C1 . CLA GK . 0.2463 1.0913 1.1473 0.0138 0.0317 -0.0279 408 CLA A C1 ? ? 1 +57038 C C2 . CLA GK . 0.3051 1.1516 1.2075 0.0223 0.0293 -0.0290 408 CLA A C2 ? ? 1 +57039 C C3 . CLA GK . 0.4079 1.2667 1.3221 0.0265 0.0253 -0.0319 408 CLA A C3 ? ? 1 +57040 C C4 . CLA GK . 0.4106 1.2818 1.3367 0.0226 0.0232 -0.0340 408 CLA A C4 ? ? 1 +57041 C C5 . CLA GK . 0.4999 1.3592 1.4146 0.0354 0.0229 -0.0329 408 CLA A C5 ? ? 1 +57042 C C6 . CLA GK . 0.5586 1.4343 1.4889 0.0399 0.0199 -0.0369 408 CLA A C6 ? ? 1 +57043 C C7 . CLA GK . 0.6348 1.5087 1.5630 0.0486 0.0129 -0.0366 408 CLA A C7 ? ? 1 +57044 C C8 . CLA GK . 0.7262 1.6100 1.6642 0.0546 0.0158 -0.0404 408 CLA A C8 ? ? 1 +57045 C C9 . CLA GK . 0.7171 1.6186 1.6717 0.0584 0.0125 -0.0448 408 CLA A C9 ? ? 1 +57046 C C10 . CLA GK . 0.8371 1.7124 1.7675 0.0573 0.0213 -0.0399 408 CLA A C10 ? ? 1 +57047 C C11 . CLA GK . 0.9110 1.7671 1.8232 0.0554 0.0218 -0.0353 408 CLA A C11 ? ? 1 +57048 C C12 . CLA GK . 0.9549 1.7999 1.8565 0.0613 0.0152 -0.0327 408 CLA A C12 ? ? 1 +57049 C C13 . CLA GK . 1.0119 1.8398 1.8978 0.0613 0.0178 -0.0297 408 CLA A C13 ? ? 1 +57050 C C14 . CLA GK . 1.0101 1.8312 1.8892 0.0529 0.0223 -0.0276 408 CLA A C14 ? ? 1 +57051 C C15 . CLA GK . 1.0900 1.9053 1.9642 0.0651 0.0113 -0.0265 408 CLA A C15 ? ? 1 +57052 C C16 . CLA GK . 1.1182 1.9397 1.9982 0.0716 0.0044 -0.0275 408 CLA A C16 ? ? 1 +57053 C C17 . CLA GK . 1.1271 1.9341 1.9938 0.0756 -0.0007 -0.0242 408 CLA A C17 ? ? 1 +57054 C C18 . CLA GK . 1.0494 1.8607 1.9199 0.0837 -0.0070 -0.0254 408 CLA A C18 ? ? 1 +57055 C C19 . CLA GK . 1.0078 1.8371 1.8946 0.0865 -0.0089 -0.0293 408 CLA A C19 ? ? 1 +57056 C C20 . CLA GK . 1.0327 1.8293 1.8901 0.0883 -0.0121 -0.0222 408 CLA A C20 ? ? 1 +57057 MG MG . CLA GL . 0.2107 0.7978 0.8378 -0.0303 0.0044 0.0674 614 CLA B MG ? ? 1 +57058 C CHA . CLA GL . 0.2423 0.8101 0.8413 -0.0220 0.0019 0.0709 614 CLA B CHA ? ? 1 +57059 C CHB . CLA GL . 0.2253 0.8106 0.8493 -0.0351 0.0170 0.0689 614 CLA B CHB ? ? 1 +57060 C CHC . CLA GL . 0.1810 0.7911 0.8347 -0.0355 0.0038 0.0627 614 CLA B CHC ? ? 1 +57061 C CHD . CLA GL . 0.1942 0.7895 0.8274 -0.0240 -0.0091 0.0643 614 CLA B CHD ? ? 1 +57062 N NA . CLA GL . 0.2323 0.8106 0.8466 -0.0291 0.0087 0.0696 614 CLA B NA ? ? 1 +57063 C C1A . CLA GL . 0.2463 0.8168 0.8496 -0.0259 0.0075 0.0709 614 CLA B C1A ? ? 1 +57064 C C2A . CLA GL . 0.2656 0.8288 0.8598 -0.0262 0.0123 0.0727 614 CLA B C2A ? ? 1 +57065 C C3A . CLA GL . 0.2555 0.8240 0.8580 -0.0306 0.0175 0.0722 614 CLA B C3A ? ? 1 +57066 C C4A . CLA GL . 0.2373 0.8154 0.8518 -0.0318 0.0142 0.0701 614 CLA B C4A ? ? 1 +57067 C CMA . CLA GL . 0.2645 0.8258 0.8636 -0.0336 0.0226 0.0741 614 CLA B CMA ? ? 1 +57068 C CAA . CLA GL . 0.2838 0.8467 0.8721 -0.0232 0.0108 0.0723 614 CLA B CAA ? ? 1 +57069 C CBA . CLA GL . 0.2884 0.8618 0.8859 -0.0236 0.0090 0.0699 614 CLA B CBA ? ? 1 +57070 C CGA . CLA GL . 0.3092 0.8872 0.9105 -0.0213 0.0025 0.0682 614 CLA B CGA ? ? 1 +57071 O O1A . CLA GL . 0.3170 0.8907 0.9113 -0.0179 -0.0014 0.0685 614 CLA B O1A ? ? 1 +57072 O O2A . CLA GL . 0.3406 0.9285 0.9539 -0.0230 0.0007 0.0662 614 CLA B O2A ? ? 1 +57073 N NB . CLA GL . 0.2040 0.8005 0.8414 -0.0345 0.0091 0.0660 614 CLA B NB ? ? 1 +57074 C C1B . CLA GL . 0.2099 0.8048 0.8454 -0.0363 0.0142 0.0667 614 CLA B C1B ? ? 1 +57075 C C2B . CLA GL . 0.2032 0.8064 0.8482 -0.0390 0.0169 0.0652 614 CLA B C2B ? ? 1 +57076 C C3B . CLA GL . 0.1912 0.8014 0.8444 -0.0389 0.0125 0.0634 614 CLA B C3B ? ? 1 +57077 C C4B . CLA GL . 0.1914 0.7966 0.8393 -0.0363 0.0084 0.0641 614 CLA B C4B ? ? 1 +57078 C CMB . CLA GL . 0.2087 0.8127 0.8543 -0.0412 0.0226 0.0655 614 CLA B CMB ? ? 1 +57079 C CAB . CLA GL . 0.1818 0.8013 0.8460 -0.0408 0.0122 0.0614 614 CLA B CAB ? ? 1 +57080 C CBB . CLA GL . 0.1828 0.8058 0.8524 -0.0438 0.0163 0.0609 614 CLA B CBB ? ? 1 +57081 N NC . CLA GL . 0.1905 0.7897 0.8303 -0.0300 -0.0011 0.0644 614 CLA B NC ? ? 1 +57082 C C1C . CLA GL . 0.1810 0.7882 0.8305 -0.0324 -0.0006 0.0628 614 CLA B C1C ? ? 1 +57083 C C2C . CLA GL . 0.1692 0.7827 0.8252 -0.0316 -0.0049 0.0610 614 CLA B C2C ? ? 1 +57084 C C3C . CLA GL . 0.1741 0.7835 0.8244 -0.0284 -0.0084 0.0615 614 CLA B C3C ? ? 1 +57085 C C4C . CLA GL . 0.1872 0.7882 0.8281 -0.0276 -0.0059 0.0635 614 CLA B C4C ? ? 1 +57086 C CMC . CLA GL . 0.1587 0.7804 0.8243 -0.0333 -0.0056 0.0592 614 CLA B CMC ? ? 1 +57087 C CAC . CLA GL . 0.1681 0.7813 0.8218 -0.0265 -0.0131 0.0601 614 CLA B CAC ? ? 1 +57088 C CBC . CLA GL . 0.1633 0.7810 0.8179 -0.0251 -0.0155 0.0587 614 CLA B CBC ? ? 1 +57089 N ND . CLA GL . 0.2165 0.8009 0.8361 -0.0245 -0.0024 0.0672 614 CLA B ND ? ? 1 +57090 C C1D . CLA GL . 0.2073 0.7943 0.8299 -0.0224 -0.0075 0.0662 614 CLA B C1D ? ? 1 +57091 C C2D . CLA GL . 0.2190 0.8001 0.8328 -0.0183 -0.0108 0.0669 614 CLA B C2D ? ? 1 +57092 C C3D . CLA GL . 0.2300 0.8033 0.8343 -0.0182 -0.0071 0.0689 614 CLA B C3D ? ? 1 +57093 C C4D . CLA GL . 0.2284 0.8036 0.8365 -0.0219 -0.0023 0.0690 614 CLA B C4D ? ? 1 +57094 C CMD . CLA GL . 0.2194 0.8009 0.8323 -0.0147 -0.0164 0.0661 614 CLA B CMD ? ? 1 +57095 C CAD . CLA GL . 0.2451 0.8086 0.8365 -0.0154 -0.0066 0.0707 614 CLA B CAD ? ? 1 +57096 O OBD . CLA GL . 0.2523 0.8118 0.8372 -0.0115 -0.0107 0.0710 614 CLA B OBD ? ? 1 +57097 C CBD . CLA GL . 0.2526 0.8119 0.8397 -0.0178 -0.0006 0.0722 614 CLA B CBD ? ? 1 +57098 C CGD . CLA GL . 0.2663 0.8140 0.8431 -0.0173 0.0021 0.0748 614 CLA B CGD ? ? 1 +57099 O O1D . CLA GL . 0.2806 0.8224 0.8509 -0.0186 0.0069 0.0763 614 CLA B O1D ? ? 1 +57100 O O2D . CLA GL . 0.2690 0.8115 0.8425 -0.0152 -0.0007 0.0756 614 CLA B O2D ? ? 1 +57101 C CED . CLA GL . 0.2832 0.8134 0.8453 -0.0142 0.0017 0.0782 614 CLA B CED ? ? 1 +57102 C C1 . CLA GL . 0.3782 0.9702 0.9950 -0.0211 -0.0050 0.0647 614 CLA B C1 ? ? 1 +57103 C C2 . CLA GL . 0.4099 1.0102 1.0384 -0.0235 -0.0055 0.0631 614 CLA B C2 ? ? 1 +57104 C C3 . CLA GL . 0.4750 1.0824 1.1098 -0.0242 -0.0062 0.0614 614 CLA B C3 ? ? 1 +57105 C C4 . CLA GL . 0.4926 1.0997 1.1230 -0.0227 -0.0062 0.0609 614 CLA B C4 ? ? 1 +57106 C C5 . CLA GL . 0.5268 1.1416 1.1723 -0.0263 -0.0068 0.0600 614 CLA B C5 ? ? 1 +57107 C C6 . CLA GL . 0.5899 1.2104 1.2394 -0.0252 -0.0106 0.0580 614 CLA B C6 ? ? 1 +57108 C C7 . CLA GL . 0.6616 1.2886 1.3184 -0.0270 -0.0090 0.0568 614 CLA B C7 ? ? 1 +57109 C C8 . CLA GL . 0.7228 1.3557 1.3872 -0.0275 -0.0120 0.0551 614 CLA B C8 ? ? 1 +57110 C C9 . CLA GL . 0.7208 1.3541 1.3873 -0.0271 -0.0151 0.0548 614 CLA B C9 ? ? 1 +57111 C C10 . CLA GL . 0.7919 1.4308 1.4623 -0.0285 -0.0114 0.0537 614 CLA B C10 ? ? 1 +57112 C C11 . CLA GL . 0.8510 1.4895 1.5177 -0.0269 -0.0120 0.0530 614 CLA B C11 ? ? 1 +57113 C C12 . CLA GL . 0.8919 1.5319 1.5594 -0.0275 -0.0085 0.0529 614 CLA B C12 ? ? 1 +57114 C C13 . CLA GL . 0.8824 1.5276 1.5552 -0.0275 -0.0094 0.0512 614 CLA B C13 ? ? 1 +57115 C C14 . CLA GL . 0.8605 1.5074 1.5342 -0.0276 -0.0059 0.0510 614 CLA B C14 ? ? 1 +57116 C C15 . CLA GL . 0.8991 1.5486 1.5792 -0.0288 -0.0109 0.0505 614 CLA B C15 ? ? 1 +57117 C C16 . CLA GL . 0.8482 1.4992 1.5296 -0.0282 -0.0146 0.0493 614 CLA B C16 ? ? 1 +57118 C C17 . CLA GL . 0.8303 1.4845 1.5178 -0.0294 -0.0158 0.0489 614 CLA B C17 ? ? 1 +57119 C C18 . CLA GL . 0.8083 1.4660 1.4998 -0.0295 -0.0176 0.0474 614 CLA B C18 ? ? 1 +57120 C C19 . CLA GL . 0.8261 1.4854 1.5182 -0.0288 -0.0171 0.0465 614 CLA B C19 ? ? 1 +57121 C C20 . CLA GL . 0.7514 1.4101 1.4457 -0.0301 -0.0199 0.0471 614 CLA B C20 ? ? 1 +57122 MG MG . CLA GM . 0.3319 0.8522 0.9722 0.1225 -0.0275 0.0113 509 CLA C MG ? ? 1 +57123 C CHA . CLA GM . 0.3555 0.8414 0.9696 0.1254 -0.0332 0.0182 509 CLA C CHA ? ? 1 +57124 C CHB . CLA GM . 0.3643 0.8673 0.9935 0.1420 -0.0259 0.0070 509 CLA C CHB ? ? 1 +57125 C CHC . CLA GM . 0.3150 0.8545 0.9700 0.1152 -0.0182 0.0051 509 CLA C CHC ? ? 1 +57126 C CHD . CLA GM . 0.3057 0.8305 0.9482 0.0994 -0.0266 0.0158 509 CLA C CHD ? ? 1 +57127 N NA . CLA GM . 0.3565 0.8549 0.9811 0.1314 -0.0293 0.0124 509 CLA C NA ? ? 1 +57128 C C1A . CLA GM . 0.3652 0.8522 0.9809 0.1321 -0.0318 0.0152 509 CLA C C1A ? ? 1 +57129 C C2A . CLA GM . 0.3867 0.8606 0.9929 0.1411 -0.0332 0.0153 509 CLA C C2A ? ? 1 +57130 C C3A . CLA GM . 0.3848 0.8659 0.9971 0.1469 -0.0313 0.0117 509 CLA C C3A ? ? 1 +57131 C C4A . CLA GM . 0.3678 0.8627 0.9905 0.1395 -0.0286 0.0102 509 CLA C C4A ? ? 1 +57132 C CMA . CLA GM . 0.3856 0.8772 1.0051 0.1566 -0.0343 0.0103 509 CLA C CMA ? ? 1 +57133 C CAA . CLA GM . 0.4067 0.8592 0.9980 0.1380 -0.0319 0.0171 509 CLA C CAA ? ? 1 +57134 C CBA . CLA GM . 0.4094 0.8604 1.0008 0.1311 -0.0279 0.0155 509 CLA C CBA ? ? 1 +57135 C CGA . CLA GM . 0.4307 0.8617 1.0085 0.1275 -0.0264 0.0166 509 CLA C CGA ? ? 1 +57136 O O1A . CLA GM . 0.4466 0.8626 1.0139 0.1328 -0.0270 0.0173 509 CLA C O1A ? ? 1 +57137 O O2A . CLA GM . 0.4381 0.8681 1.0158 0.1175 -0.0241 0.0167 509 CLA C O2A ? ? 1 +57138 N NB . CLA GM . 0.3367 0.8581 0.9789 0.1270 -0.0229 0.0069 509 CLA C NB ? ? 1 +57139 C C1B . CLA GM . 0.3493 0.8645 0.9874 0.1355 -0.0227 0.0053 509 CLA C C1B ? ? 1 +57140 C C2B . CLA GM . 0.3502 0.8689 0.9914 0.1377 -0.0190 0.0020 509 CLA C C2B ? ? 1 +57141 C C3B . CLA GM . 0.3357 0.8648 0.9841 0.1294 -0.0166 0.0016 509 CLA C C3B ? ? 1 +57142 C C4B . CLA GM . 0.3280 0.8587 0.9771 0.1239 -0.0195 0.0046 509 CLA C C4B ? ? 1 +57143 C CMB . CLA GM . 0.3643 0.8766 1.0015 0.1466 -0.0180 -0.0002 509 CLA C CMB ? ? 1 +57144 C CAB . CLA GM . 0.3296 0.8670 0.9840 0.1271 -0.0123 -0.0011 509 CLA C CAB ? ? 1 +57145 C CBB . CLA GM . 0.3342 0.8744 0.9910 0.1332 -0.0099 -0.0041 509 CLA C CBB ? ? 1 +57146 N NC . CLA GM . 0.3161 0.8454 0.9629 0.1100 -0.0236 0.0107 509 CLA C NC ? ? 1 +57147 C C1C . CLA GM . 0.3104 0.8478 0.9633 0.1085 -0.0203 0.0081 509 CLA C C1C ? ? 1 +57148 C C2C . CLA GM . 0.2989 0.8417 0.9552 0.0995 -0.0184 0.0084 509 CLA C C2C ? ? 1 +57149 C C3C . CLA GM . 0.2974 0.8364 0.9505 0.0950 -0.0211 0.0115 509 CLA C C3C ? ? 1 +57150 C C4C . CLA GM . 0.3056 0.8371 0.9534 0.1019 -0.0239 0.0127 509 CLA C C4C ? ? 1 +57151 C CMC . CLA GM . 0.2922 0.8426 0.9537 0.0964 -0.0146 0.0061 509 CLA C CMC ? ? 1 +57152 C CAC . CLA GM . 0.2920 0.8343 0.9469 0.0862 -0.0210 0.0132 509 CLA C CAC ? ? 1 +57153 C CBC . CLA GM . 0.2998 0.8287 0.9451 0.0801 -0.0205 0.0148 509 CLA C CBC ? ? 1 +57154 N ND . CLA GM . 0.3323 0.8388 0.9619 0.1133 -0.0288 0.0157 509 CLA C ND ? ? 1 +57155 C C1D . CLA GM . 0.3177 0.8312 0.9518 0.1052 -0.0290 0.0173 509 CLA C C1D ? ? 1 +57156 C C2D . CLA GM . 0.3213 0.8267 0.9487 0.1034 -0.0315 0.0207 509 CLA C C2D ? ? 1 +57157 C C3D . CLA GM . 0.3359 0.8304 0.9554 0.1117 -0.0332 0.0210 509 CLA C C3D ? ? 1 +57158 C C4D . CLA GM . 0.3401 0.8373 0.9623 0.1171 -0.0318 0.0181 509 CLA C C4D ? ? 1 +57159 C CMD . CLA GM . 0.3141 0.8205 0.9416 0.0961 -0.0324 0.0232 509 CLA C CMD ? ? 1 +57160 C CAD . CLA GM . 0.3485 0.8295 0.9574 0.1163 -0.0357 0.0234 509 CLA C CAD ? ? 1 +57161 O OBD . CLA GM . 0.3482 0.8239 0.9522 0.1135 -0.0373 0.0263 509 CLA C OBD ? ? 1 +57162 C CBD . CLA GM . 0.3605 0.8365 0.9663 0.1258 -0.0361 0.0216 509 CLA C CBD ? ? 1 +57163 C CGD . CLA GM . 0.3563 0.8418 0.9675 0.1336 -0.0398 0.0214 509 CLA C CGD ? ? 1 +57164 O O1D . CLA GM . 0.3409 0.8408 0.9617 0.1321 -0.0415 0.0213 509 CLA C O1D ? ? 1 +57165 O O2D . CLA GM . 0.3704 0.8478 0.9754 0.1436 -0.0420 0.0212 509 CLA C O2D ? ? 1 +57166 C CED . CLA GM . 0.3686 0.8579 0.9813 0.1518 -0.0453 0.0198 509 CLA C CED ? ? 1 +57167 C C1 . CLA GM . 0.4644 0.8764 1.0302 0.1139 -0.0227 0.0173 509 CLA C C1 ? ? 1 +57168 C C2 . CLA GM . 0.4734 0.8881 1.0418 0.1055 -0.0202 0.0159 509 CLA C C2 ? ? 1 +57169 C C3 . CLA GM . 0.4982 0.9075 1.0633 0.0968 -0.0199 0.0175 509 CLA C C3 ? ? 1 +57170 C C4 . CLA GM . 0.4965 0.8968 1.0552 0.0944 -0.0214 0.0209 509 CLA C C4 ? ? 1 +57171 C C5 . CLA GM . 0.5258 0.9377 1.0931 0.0892 -0.0177 0.0158 509 CLA C C5 ? ? 1 +57172 C C6 . CLA GM . 0.5378 0.9666 1.1163 0.0837 -0.0179 0.0160 509 CLA C C6 ? ? 1 +57173 C C7 . CLA GM . 0.5723 0.9981 1.1492 0.0760 -0.0161 0.0146 509 CLA C C7 ? ? 1 +57174 C C8 . CLA GM . 0.6013 1.0423 1.1881 0.0703 -0.0156 0.0140 509 CLA C C8 ? ? 1 +57175 C C9 . CLA GM . 0.5872 1.0430 1.1837 0.0692 -0.0171 0.0157 509 CLA C C9 ? ? 1 +57176 C C10 . CLA GM . 0.6494 1.0891 1.2349 0.0671 -0.0135 0.0113 509 CLA C C10 ? ? 1 +57177 C C11 . CLA GM . 0.6753 1.1310 1.2707 0.0643 -0.0127 0.0102 509 CLA C C11 ? ? 1 +57178 C C12 . CLA GM . 0.7424 1.1949 1.3351 0.0578 -0.0115 0.0086 509 CLA C C12 ? ? 1 +57179 C C13 . CLA GM . 0.8253 1.2758 1.4155 0.0609 -0.0093 0.0055 509 CLA C C13 ? ? 1 +57180 C C14 . CLA GM . 0.8387 1.3035 1.4378 0.0657 -0.0079 0.0044 509 CLA C C14 ? ? 1 +57181 C C15 . CLA GM . 0.8862 1.3344 1.4738 0.0543 -0.0086 0.0039 509 CLA C C15 ? ? 1 +57182 C C16 . CLA GM . 0.9779 1.4138 1.5583 0.0484 -0.0100 0.0048 509 CLA C C16 ? ? 1 +57183 C C17 . CLA GM . 1.0792 1.4984 1.6490 0.0515 -0.0096 0.0037 509 CLA C C17 ? ? 1 +57184 C C18 . CLA GM . 1.1612 1.5677 1.7231 0.0450 -0.0101 0.0030 509 CLA C C18 ? ? 1 +57185 C C19 . CLA GM . 1.1889 1.5776 1.7402 0.0468 -0.0101 0.0029 509 CLA C C19 ? ? 1 +57186 C C20 . CLA GM . 1.1578 1.5692 1.7229 0.0365 -0.0110 0.0028 509 CLA C C20 ? ? 1 +57187 C C1 . LMG GN . 0.3892 0.8169 0.9645 -0.0496 -0.0415 -0.0226 411 LMG D C1 ? ? 1 +57188 O O1 . LMG GN . 0.4084 0.8296 0.9820 -0.0474 -0.0382 -0.0203 411 LMG D O1 ? ? 1 +57189 C C2 . LMG GN . 0.3821 0.8116 0.9529 -0.0437 -0.0408 -0.0229 411 LMG D C2 ? ? 1 +57190 O O2 . LMG GN . 0.3690 0.8074 0.9450 -0.0400 -0.0385 -0.0192 411 LMG D O2 ? ? 1 +57191 C C3 . LMG GN . 0.3782 0.8120 0.9481 -0.0452 -0.0443 -0.0257 411 LMG D C3 ? ? 1 +57192 O O3 . LMG GN . 0.3791 0.8108 0.9423 -0.0398 -0.0431 -0.0264 411 LMG D O3 ? ? 1 +57193 C C4 . LMG GN . 0.3859 0.8130 0.9529 -0.0505 -0.0478 -0.0297 411 LMG D C4 ? ? 1 +57194 O O4 . LMG GN . 0.3975 0.8120 0.9540 -0.0485 -0.0473 -0.0325 411 LMG D O4 ? ? 1 +57195 C C5 . LMG GN . 0.3856 0.8119 0.9584 -0.0562 -0.0478 -0.0291 411 LMG D C5 ? ? 1 +57196 O O5 . LMG GN . 0.3874 0.8127 0.9598 -0.0644 -0.0550 -0.0359 411 LMG D O5 ? ? 1 +57197 C C6 . LMG GN . 0.3946 0.8131 0.9645 -0.0617 -0.0507 -0.0332 411 LMG D C6 ? ? 1 +57198 O O6 . LMG GN . 0.3940 0.8140 0.9653 -0.0540 -0.0441 -0.0265 411 LMG D O6 ? ? 1 +57199 C C7 . LMG GN . 0.4300 0.8493 1.0076 -0.0523 -0.0379 -0.0191 411 LMG D C7 ? ? 1 +57200 C C8 . LMG GN . 0.4388 0.8640 1.0217 -0.0499 -0.0353 -0.0147 411 LMG D C8 ? ? 1 +57201 C C9 . LMG GN . 0.4525 0.8729 1.0372 -0.0541 -0.0340 -0.0133 411 LMG D C9 ? ? 1 +57202 O O7 . LMG GN . 0.4519 0.8732 1.0300 -0.0430 -0.0327 -0.0132 411 LMG D O7 ? ? 1 +57203 C C10 . LMG GN . 0.4672 0.8981 1.0488 -0.0385 -0.0318 -0.0112 411 LMG D C10 ? ? 1 +57204 O O9 . LMG GN . 0.4475 0.8896 1.0356 -0.0398 -0.0330 -0.0104 411 LMG D O9 ? ? 1 +57205 C C11 . LMG GN . 0.5030 0.9295 1.0801 -0.0316 -0.0291 -0.0100 411 LMG D C11 ? ? 1 +57206 C C12 . LMG GN . 0.5291 0.9596 1.1106 -0.0292 -0.0271 -0.0062 411 LMG D C12 ? ? 1 +57207 C C13 . LMG GN . 0.5706 0.9944 1.1519 -0.0329 -0.0267 -0.0049 411 LMG D C13 ? ? 1 +57208 C C14 . LMG GN . 0.6159 1.0410 1.1994 -0.0296 -0.0246 -0.0012 411 LMG D C14 ? ? 1 +57209 C C15 . LMG GN . 0.6414 1.0777 1.2335 -0.0323 -0.0250 0.0013 411 LMG D C15 ? ? 1 +57210 C C16 . LMG GN . 0.6891 1.1281 1.2833 -0.0283 -0.0233 0.0049 411 LMG D C16 ? ? 1 +57211 C C17 . LMG GN . 0.7319 1.1822 1.3344 -0.0309 -0.0237 0.0072 411 LMG D C17 ? ? 1 +57212 C C18 . LMG GN . 0.7854 1.2361 1.3892 -0.0285 -0.0222 0.0107 411 LMG D C18 ? ? 1 +57213 C C19 . LMG GN . 0.8357 1.2925 1.4455 -0.0335 -0.0225 0.0125 411 LMG D C19 ? ? 1 +57214 C C20 . LMG GN . 0.8782 1.3373 1.4897 -0.0309 -0.0213 0.0160 411 LMG D C20 ? ? 1 +57215 C C21 . LMG GN . 0.9391 1.3973 1.5526 -0.0361 -0.0206 0.0177 411 LMG D C21 ? ? 1 +57216 C C22 . LMG GN . 1.0089 1.4538 1.6154 -0.0359 -0.0189 0.0191 411 LMG D C22 ? ? 1 +57217 C C23 . LMG GN . 1.0653 1.4973 1.6649 -0.0382 -0.0186 0.0167 411 LMG D C23 ? ? 1 +57218 C C24 . LMG GN . 1.0897 1.5071 1.6805 -0.0358 -0.0168 0.0181 411 LMG D C24 ? ? 1 +57219 C C25 . LMG GN . 1.0895 1.4935 1.6742 -0.0406 -0.0160 0.0162 411 LMG D C25 ? ? 1 +57220 O O8 . LMG GN . 0.4545 0.8815 1.0443 -0.0517 -0.0320 -0.0091 411 LMG D O8 ? ? 1 +57221 C C28 . LMG GN . 0.4775 0.9017 1.0695 -0.0553 -0.0307 -0.0074 411 LMG D C28 ? ? 1 +57222 O O10 . LMG GN . 0.4822 0.8990 1.0723 -0.0604 -0.0310 -0.0091 411 LMG D O10 ? ? 1 +57223 C C29 . LMG GN . 0.4885 0.9196 1.0851 -0.0525 -0.0288 -0.0033 411 LMG D C29 ? ? 1 +57224 C C30 . LMG GN . 0.5222 0.9506 1.1211 -0.0569 -0.0274 -0.0013 411 LMG D C30 ? ? 1 +57225 C C31 . LMG GN . 0.5502 0.9859 1.1538 -0.0545 -0.0258 0.0027 411 LMG D C31 ? ? 1 +57226 C C32 . LMG GN . 0.5992 1.0349 1.2065 -0.0598 -0.0245 0.0044 411 LMG D C32 ? ? 1 +57227 C C33 . LMG GN . 0.6659 1.0920 1.2682 -0.0579 -0.0217 0.0073 411 LMG D C33 ? ? 1 +57228 C C34 . LMG GN . 0.7375 1.1594 1.3410 -0.0643 -0.0201 0.0082 411 LMG D C34 ? ? 1 +57229 C C35 . LMG GN . 0.8054 1.2139 1.4013 -0.0629 -0.0173 0.0106 411 LMG D C35 ? ? 1 +57230 C C36 . LMG GN . 0.8450 1.2509 1.4428 -0.0691 -0.0151 0.0121 411 LMG D C36 ? ? 1 +57231 C C37 . LMG GN . 0.8601 1.2550 1.4544 -0.0758 -0.0142 0.0096 411 LMG D C37 ? ? 1 +57232 C C38 . LMG GN . 0.9111 1.2899 1.4964 -0.0761 -0.0110 0.0116 411 LMG D C38 ? ? 1 +57233 C C39 . LMG GN . 0.9557 1.3211 1.5304 -0.0704 -0.0109 0.0112 411 LMG D C39 ? ? 1 +57234 C C40 . LMG GN . 0.9996 1.3471 1.5644 -0.0713 -0.0078 0.0128 411 LMG D C40 ? ? 1 +57235 C C41 . LMG GN . 1.0302 1.3627 1.5854 -0.0701 -0.0079 0.0103 411 LMG D C41 ? ? 1 +57236 C C42 . LMG GN . 1.0307 1.3447 1.5745 -0.0687 -0.0049 0.0124 411 LMG D C42 ? ? 1 +57237 C C43 . LMG GN . 0.9998 1.2993 1.5334 -0.0652 -0.0053 0.0103 411 LMG D C43 ? ? 1 +57238 C C1 . BCR GO . 0.6574 0.8940 1.0847 0.1215 0.0182 -0.0412 101 BCR Y C1 ? ? 1 +57239 C C2 . BCR GO . 0.6672 0.8972 1.0862 0.1239 0.0211 -0.0455 101 BCR Y C2 ? ? 1 +57240 C C3 . BCR GO . 0.6545 0.8973 1.0789 0.1192 0.0221 -0.0466 101 BCR Y C3 ? ? 1 +57241 C C4 . BCR GO . 0.6361 0.9004 1.0752 0.1224 0.0238 -0.0447 101 BCR Y C4 ? ? 1 +57242 C C5 . BCR GO . 0.6272 0.8987 1.0751 0.1237 0.0217 -0.0410 101 BCR Y C5 ? ? 1 +57243 C C6 . BCR GO . 0.6352 0.8945 1.0779 0.1231 0.0190 -0.0392 101 BCR Y C6 ? ? 1 +57244 C C7 . BCR GO . 0.6225 0.8902 1.0741 0.1232 0.0168 -0.0354 101 BCR Y C7 ? ? 1 +57245 C C8 . BCR GO . 0.6229 0.8823 1.0718 0.1193 0.0137 -0.0328 101 BCR Y C8 ? ? 1 +57246 C C9 . BCR GO . 0.6113 0.8785 1.0680 0.1195 0.0117 -0.0291 101 BCR Y C9 ? ? 1 +57247 C C10 . BCR GO . 0.6129 0.8733 1.0672 0.1122 0.0089 -0.0267 101 BCR Y C10 ? ? 1 +57248 C C11 . BCR GO . 0.6055 0.8720 1.0661 0.1103 0.0067 -0.0230 101 BCR Y C11 ? ? 1 +57249 C C33 . BCR GO . 0.6088 0.9023 1.0717 0.1253 0.0229 -0.0393 101 BCR Y C33 ? ? 1 +57250 C C31 . BCR GO . 0.6724 0.8963 1.0936 0.1287 0.0179 -0.0404 101 BCR Y C31 ? ? 1 +57251 C C32 . BCR GO . 0.6554 0.8863 1.0800 0.1105 0.0149 -0.0402 101 BCR Y C32 ? ? 1 +57252 C C34 . BCR GO . 0.6008 0.8828 1.0681 0.1271 0.0124 -0.0277 101 BCR Y C34 ? ? 1 +57253 C C12 . BCR GO . 0.6058 0.8660 1.0641 0.1023 0.0044 -0.0209 101 BCR Y C12 ? ? 1 +57254 C C13 . BCR GO . 0.5996 0.8648 1.0634 0.0996 0.0023 -0.0172 101 BCR Y C13 ? ? 1 +57255 C C14 . BCR GO . 0.6018 0.8611 1.0632 0.0904 0.0006 -0.0157 101 BCR Y C14 ? ? 1 +57256 C C15 . BCR GO . 0.5971 0.8605 1.0632 0.0863 -0.0012 -0.0123 101 BCR Y C15 ? ? 1 +57257 C C16 . BCR GO . 0.5990 0.8589 1.0644 0.0769 -0.0026 -0.0110 101 BCR Y C16 ? ? 1 +57258 C C17 . BCR GO . 0.5959 0.8609 1.0664 0.0729 -0.0041 -0.0076 101 BCR Y C17 ? ? 1 +57259 C C18 . BCR GO . 0.5987 0.8620 1.0698 0.0632 -0.0052 -0.0063 101 BCR Y C18 ? ? 1 +57260 C C19 . BCR GO . 0.5924 0.8616 1.0688 0.0609 -0.0063 -0.0027 101 BCR Y C19 ? ? 1 +57261 C C20 . BCR GO . 0.5899 0.8585 1.0678 0.0522 -0.0072 -0.0010 101 BCR Y C20 ? ? 1 +57262 C C21 . BCR GO . 0.5858 0.8580 1.0672 0.0512 -0.0079 0.0026 101 BCR Y C21 ? ? 1 +57263 C C22 . BCR GO . 0.5866 0.8592 1.0702 0.0427 -0.0085 0.0045 101 BCR Y C22 ? ? 1 +57264 C C23 . BCR GO . 0.5893 0.8633 1.0743 0.0439 -0.0089 0.0083 101 BCR Y C23 ? ? 1 +57265 C C24 . BCR GO . 0.5824 0.8602 1.0714 0.0370 -0.0093 0.0106 101 BCR Y C24 ? ? 1 +57266 C C25 . BCR GO . 0.5824 0.8593 1.0711 0.0381 -0.0095 0.0144 101 BCR Y C25 ? ? 1 +57267 C C26 . BCR GO . 0.5957 0.8605 1.0758 0.0446 -0.0092 0.0163 101 BCR Y C26 ? ? 1 +57268 C C27 . BCR GO . 0.5979 0.8657 1.0792 0.0477 -0.0099 0.0202 101 BCR Y C27 ? ? 1 +57269 C C28 . BCR GO . 0.5793 0.8666 1.0732 0.0441 -0.0109 0.0215 101 BCR Y C28 ? ? 1 +57270 C C29 . BCR GO . 0.5723 0.8634 1.0706 0.0337 -0.0104 0.0202 101 BCR Y C29 ? ? 1 +57271 C C30 . BCR GO . 0.5705 0.8625 1.0696 0.0321 -0.0102 0.0162 101 BCR Y C30 ? ? 1 +57272 C C35 . BCR GO . 0.5876 0.8649 1.0599 0.1067 0.0020 -0.0149 101 BCR Y C35 ? ? 1 +57273 C C36 . BCR GO . 0.6038 0.8592 1.0700 0.0553 -0.0053 -0.0091 101 BCR Y C36 ? ? 1 +57274 C C37 . BCR GO . 0.5796 0.8514 1.0638 0.0333 -0.0087 0.0022 101 BCR Y C37 ? ? 1 +57275 C C38 . BCR GO . 0.6072 0.8543 1.0754 0.0499 -0.0082 0.0148 101 BCR Y C38 ? ? 1 +57276 C C39 . BCR GO . 0.5539 0.8656 1.0643 0.0348 -0.0113 0.0151 101 BCR Y C39 ? ? 1 +57277 C C40 . BCR GO . 0.5731 0.8626 1.0729 0.0215 -0.0097 0.0149 101 BCR Y C40 ? ? 1 +57278 MG MG . CLA GP . 0.2705 0.9614 0.9606 -0.0706 -0.1411 -0.0622 608 CLA b MG ? ? 1 +57279 C CHA . CLA GP . 0.2795 0.9926 0.9801 -0.0627 -0.1599 -0.0700 608 CLA b CHA ? ? 1 +57280 C CHB . CLA GP . 0.2958 0.9608 0.9480 -0.0612 -0.1469 -0.0609 608 CLA b CHB ? ? 1 +57281 C CHC . CLA GP . 0.2755 0.9433 0.9550 -0.0814 -0.1262 -0.0595 608 CLA b CHC ? ? 1 +57282 C CHD . CLA GP . 0.2543 0.9713 0.9839 -0.0853 -0.1368 -0.0690 608 CLA b CHD ? ? 1 +57283 N NA . CLA GP . 0.2858 0.9747 0.9643 -0.0639 -0.1514 -0.0650 608 CLA b NA ? ? 1 +57284 C C1A . CLA GP . 0.2869 0.9851 0.9705 -0.0609 -0.1582 -0.0677 608 CLA b C1A ? ? 1 +57285 C C2A . CLA GP . 0.2964 0.9888 0.9666 -0.0541 -0.1638 -0.0672 608 CLA b C2A ? ? 1 +57286 C C3A . CLA GP . 0.2995 0.9771 0.9549 -0.0532 -0.1584 -0.0632 608 CLA b C3A ? ? 1 +57287 C C4A . CLA GP . 0.2934 0.9703 0.9558 -0.0601 -0.1518 -0.0631 608 CLA b C4A ? ? 1 +57288 C CMA . CLA GP . 0.2943 0.9672 0.9423 -0.0469 -0.1548 -0.0567 608 CLA b CMA ? ? 1 +57289 C CAA . CLA GP . 0.3086 1.0041 0.9780 -0.0543 -0.1726 -0.0734 608 CLA b CAA ? ? 1 +57290 C CBA . CLA GP . 0.3184 1.0082 0.9851 -0.0605 -0.1727 -0.0776 608 CLA b CBA ? ? 1 +57291 C CGA . CLA GP . 0.3159 1.0137 0.9982 -0.0684 -0.1693 -0.0802 608 CLA b CGA ? ? 1 +57292 O O1A . CLA GP . 0.3143 1.0254 1.0113 -0.0698 -0.1712 -0.0824 608 CLA b O1A ? ? 1 +57293 O O2A . CLA GP . 0.3209 1.0100 1.0004 -0.0745 -0.1634 -0.0803 608 CLA b O2A ? ? 1 +57294 N NB . CLA GP . 0.2828 0.9540 0.9536 -0.0715 -0.1376 -0.0609 608 CLA b NB ? ? 1 +57295 C C1B . CLA GP . 0.2905 0.9525 0.9468 -0.0669 -0.1400 -0.0600 608 CLA b C1B ? ? 1 +57296 C C2B . CLA GP . 0.2959 0.9443 0.9401 -0.0680 -0.1359 -0.0587 608 CLA b C2B ? ? 1 +57297 C C3B . CLA GP . 0.2914 0.9409 0.9442 -0.0740 -0.1300 -0.0584 608 CLA b C3B ? ? 1 +57298 C C4B . CLA GP . 0.2830 0.9463 0.9512 -0.0755 -0.1313 -0.0594 608 CLA b C4B ? ? 1 +57299 C CMB . CLA GP . 0.3051 0.9419 0.9327 -0.0637 -0.1374 -0.0579 608 CLA b CMB ? ? 1 +57300 C CAB . CLA GP . 0.2953 0.9346 0.9429 -0.0774 -0.1236 -0.0568 608 CLA b CAB ? ? 1 +57301 C CBB . CLA GP . 0.3014 0.9289 0.9355 -0.0743 -0.1211 -0.0541 608 CLA b CBB ? ? 1 +57302 N NC . CLA GP . 0.2661 0.9580 0.9676 -0.0811 -0.1337 -0.0640 608 CLA b NC ? ? 1 +57303 C C1C . CLA GP . 0.2679 0.9493 0.9632 -0.0844 -0.1276 -0.0621 608 CLA b C1C ? ? 1 +57304 C C2C . CLA GP . 0.2644 0.9481 0.9694 -0.0916 -0.1225 -0.0632 608 CLA b C2C ? ? 1 +57305 C C3C . CLA GP . 0.2586 0.9572 0.9785 -0.0929 -0.1256 -0.0662 608 CLA b C3C ? ? 1 +57306 C C4C . CLA GP . 0.2597 0.9621 0.9763 -0.0861 -0.1321 -0.0662 608 CLA b C4C ? ? 1 +57307 C CMC . CLA GP . 0.2653 0.9387 0.9659 -0.0963 -0.1158 -0.0619 608 CLA b CMC ? ? 1 +57308 C CAC . CLA GP . 0.2538 0.9612 0.9884 -0.0993 -0.1224 -0.0683 608 CLA b CAC ? ? 1 +57309 C CBC . CLA GP . 0.2430 0.9533 0.9814 -0.0965 -0.1173 -0.0632 608 CLA b CBC ? ? 1 +57310 N ND . CLA GP . 0.2688 0.9787 0.9791 -0.0748 -0.1475 -0.0693 608 CLA b ND ? ? 1 +57311 C C1D . CLA GP . 0.2587 0.9794 0.9850 -0.0790 -0.1441 -0.0699 608 CLA b C1D ? ? 1 +57312 C C2D . CLA GP . 0.2578 0.9929 0.9960 -0.0766 -0.1494 -0.0725 608 CLA b C2D ? ? 1 +57313 C C3D . CLA GP . 0.2651 0.9963 0.9921 -0.0698 -0.1559 -0.0723 608 CLA b C3D ? ? 1 +57314 C C4D . CLA GP . 0.2697 0.9870 0.9818 -0.0691 -0.1538 -0.0700 608 CLA b C4D ? ? 1 +57315 C CMD . CLA GP . 0.2488 0.9989 1.0048 -0.0791 -0.1491 -0.0747 608 CLA b CMD ? ? 1 +57316 C CAD . CLA GP . 0.2682 1.0052 0.9941 -0.0631 -0.1637 -0.0735 608 CLA b CAD ? ? 1 +57317 O OBD . CLA GP . 0.2625 1.0122 1.0001 -0.0614 -0.1672 -0.0754 608 CLA b OBD ? ? 1 +57318 C CBD . CLA GP . 0.2796 1.0044 0.9877 -0.0583 -0.1665 -0.0720 608 CLA b CBD ? ? 1 +57319 C CGD . CLA GP . 0.2790 1.0014 0.9800 -0.0503 -0.1667 -0.0669 608 CLA b CGD ? ? 1 +57320 O O1D . CLA GP . 0.2722 0.9895 0.9696 -0.0487 -0.1604 -0.0614 608 CLA b O1D ? ? 1 +57321 O O2D . CLA GP . 0.2870 1.0133 0.9852 -0.0442 -0.1749 -0.0687 608 CLA b O2D ? ? 1 +57322 C CED . CLA GP . 0.2877 1.0093 0.9766 -0.0366 -0.1749 -0.0637 608 CLA b CED ? ? 1 +57323 C C1 . CLA GP . 0.3172 1.0115 1.0094 -0.0817 -0.1584 -0.0814 608 CLA b C1 ? ? 1 +57324 C C2 . CLA GP . 0.3305 1.0179 1.0196 -0.0883 -0.1581 -0.0855 608 CLA b C2 ? ? 1 +57325 C C3 . CLA GP . 0.3364 1.0137 1.0207 -0.0920 -0.1510 -0.0832 608 CLA b C3 ? ? 1 +57326 C C4 . CLA GP . 0.3258 0.9986 1.0076 -0.0898 -0.1432 -0.0766 608 CLA b C4 ? ? 1 +57327 C C5 . CLA GP . 0.3533 1.0231 1.0340 -0.0984 -0.1510 -0.0876 608 CLA b C5 ? ? 1 +57328 C C6 . CLA GP . 0.3548 1.0302 1.0491 -0.1067 -0.1466 -0.0897 608 CLA b C6 ? ? 1 +57329 C C7 . CLA GP . 0.3702 1.0360 1.0594 -0.1131 -0.1458 -0.0935 608 CLA b C7 ? ? 1 +57330 C C8 . CLA GP . 0.3761 1.0480 1.0784 -0.1223 -0.1444 -0.0983 608 CLA b C8 ? ? 1 +57331 C C9 . CLA GP . 0.3736 1.0634 1.0947 -0.1252 -0.1472 -0.1018 608 CLA b C9 ? ? 1 +57332 C C10 . CLA GP . 0.3864 1.0447 1.0818 -0.1284 -0.1387 -0.0986 608 CLA b C10 ? ? 1 +57333 C C11 . CLA GP . 0.3865 1.0496 1.0948 -0.1370 -0.1340 -0.1007 608 CLA b C11 ? ? 1 +57334 C C12 . CLA GP . 0.3977 1.0460 1.0977 -0.1425 -0.1285 -0.1008 608 CLA b C12 ? ? 1 +57335 C C13 . CLA GP . 0.3972 1.0501 1.1098 -0.1508 -0.1230 -0.1022 608 CLA b C13 ? ? 1 +57336 C C14 . CLA GP . 0.4015 1.0654 1.1271 -0.1576 -0.1279 -0.1097 608 CLA b C14 ? ? 1 +57337 C C15 . CLA GP . 0.4068 1.0435 1.1098 -0.1550 -0.1161 -0.1005 608 CLA b C15 ? ? 1 +57338 C C16 . CLA GP . 0.4008 1.0387 1.1106 -0.1580 -0.1079 -0.0968 608 CLA b C16 ? ? 1 +57339 C C17 . CLA GP . 0.4036 1.0245 1.0988 -0.1560 -0.1015 -0.0917 608 CLA b C17 ? ? 1 +57340 C C18 . CLA GP . 0.4001 1.0173 1.0984 -0.1600 -0.0930 -0.0885 608 CLA b C18 ? ? 1 +57341 C C19 . CLA GP . 0.4056 1.0262 1.1148 -0.1698 -0.0898 -0.0925 608 CLA b C19 ? ? 1 +57342 C C20 . CLA GP . 0.3960 1.0078 1.0879 -0.1540 -0.0876 -0.0813 608 CLA b C20 ? ? 1 +57343 MG MG . CLA GQ . 0.7240 1.0052 1.0072 0.0950 0.0283 -0.0398 505 CLA c MG ? ? 1 +57344 C CHA . CLA GQ . 0.6921 0.9483 0.9682 0.0869 0.0201 -0.0421 505 CLA c CHA ? ? 1 +57345 C CHB . CLA GQ . 0.6436 0.9583 0.9640 0.0959 0.0296 -0.0316 505 CLA c CHB ? ? 1 +57346 C CHC . CLA GQ . 0.6598 0.9684 0.9535 0.0933 0.0323 -0.0363 505 CLA c CHC ? ? 1 +57347 C CHD . CLA GQ . 0.7145 0.9649 0.9625 0.0873 0.0219 -0.0485 505 CLA c CHD ? ? 1 +57348 N NA . CLA GQ . 0.6803 0.9662 0.9768 0.0914 0.0250 -0.0371 505 CLA c NA ? ? 1 +57349 C C1A . CLA GQ . 0.6819 0.9566 0.9737 0.0886 0.0220 -0.0383 505 CLA c C1A ? ? 1 +57350 C C2A . CLA GQ . 0.6712 0.9515 0.9738 0.0880 0.0211 -0.0356 505 CLA c C2A ? ? 1 +57351 C C3A . CLA GQ . 0.6525 0.9503 0.9680 0.0921 0.0244 -0.0326 505 CLA c C3A ? ? 1 +57352 C C4A . CLA GQ . 0.6573 0.9573 0.9681 0.0932 0.0264 -0.0338 505 CLA c C4A ? ? 1 +57353 C CMA . CLA GQ . 0.6533 0.9519 0.9711 0.1007 0.0281 -0.0318 505 CLA c CMA ? ? 1 +57354 C CAA . CLA GQ . 0.6699 0.9504 0.9767 0.0789 0.0161 -0.0352 505 CLA c CAA ? ? 1 +57355 C CBA . CLA GQ . 0.6662 0.9597 0.9811 0.0735 0.0142 -0.0340 505 CLA c CBA ? ? 1 +57356 C CGA . CLA GQ . 0.6730 0.9656 0.9902 0.0644 0.0092 -0.0345 505 CLA c CGA ? ? 1 +57357 O O1A . CLA GQ . 0.6776 0.9619 0.9926 0.0608 0.0069 -0.0353 505 CLA c O1A ? ? 1 +57358 O O2A . CLA GQ . 0.6956 0.9985 1.0182 0.0597 0.0071 -0.0340 505 CLA c O2A ? ? 1 +57359 N NB . CLA GQ . 0.6596 0.9666 0.9634 0.0942 0.0303 -0.0350 505 CLA c NB ? ? 1 +57360 C C1B . CLA GQ . 0.6402 0.9592 0.9580 0.0953 0.0313 -0.0320 505 CLA c C1B ? ? 1 +57361 C C2B . CLA GQ . 0.6148 0.9513 0.9455 0.0951 0.0334 -0.0290 505 CLA c C2B ? ? 1 +57362 C C3B . CLA GQ . 0.6228 0.9565 0.9449 0.0941 0.0342 -0.0304 505 CLA c C3B ? ? 1 +57363 C C4B . CLA GQ . 0.6470 0.9630 0.9532 0.0942 0.0324 -0.0340 505 CLA c C4B ? ? 1 +57364 C CMB . CLA GQ . 0.5952 0.9468 0.9424 0.0958 0.0343 -0.0257 505 CLA c CMB ? ? 1 +57365 C CAB . CLA GQ . 0.6181 0.9625 0.9441 0.0941 0.0370 -0.0288 505 CLA c CAB ? ? 1 +57366 C CBB . CLA GQ . 0.6080 0.9661 0.9459 0.0971 0.0409 -0.0263 505 CLA c CBB ? ? 1 +57367 N NC . CLA GQ . 0.6902 0.9707 0.9641 0.0912 0.0272 -0.0417 505 CLA c NC ? ? 1 +57368 C C1C . CLA GQ . 0.6756 0.9673 0.9541 0.0916 0.0293 -0.0400 505 CLA c C1C ? ? 1 +57369 C C2C . CLA GQ . 0.6813 0.9682 0.9493 0.0894 0.0280 -0.0419 505 CLA c C2C ? ? 1 +57370 C C3C . CLA GQ . 0.6979 0.9680 0.9525 0.0878 0.0248 -0.0457 505 CLA c C3C ? ? 1 +57371 C C4C . CLA GQ . 0.7004 0.9677 0.9596 0.0892 0.0249 -0.0452 505 CLA c C4C ? ? 1 +57372 C CMC . CLA GQ . 0.6766 0.9729 0.9464 0.0892 0.0298 -0.0404 505 CLA c CMC ? ? 1 +57373 C CAC . CLA GQ . 0.7125 0.9705 0.9520 0.0854 0.0219 -0.0493 505 CLA c CAC ? ? 1 +57374 C CBC . CLA GQ . 0.7089 0.9671 0.9508 0.0766 0.0149 -0.0500 505 CLA c CBC ? ? 1 +57375 N ND . CLA GQ . 0.7052 0.9671 0.9743 0.0869 0.0216 -0.0438 505 CLA c ND ? ? 1 +57376 C C1D . CLA GQ . 0.7149 0.9622 0.9675 0.0867 0.0207 -0.0478 505 CLA c C1D ? ? 1 +57377 C C2D . CLA GQ . 0.7244 0.9545 0.9664 0.0846 0.0181 -0.0508 505 CLA c C2D ? ? 1 +57378 C C3D . CLA GQ . 0.7149 0.9495 0.9673 0.0848 0.0182 -0.0482 505 CLA c C3D ? ? 1 +57379 C C4D . CLA GQ . 0.7024 0.9540 0.9686 0.0867 0.0203 -0.0446 505 CLA c C4D ? ? 1 +57380 C CMD . CLA GQ . 0.7433 0.9553 0.9687 0.0828 0.0159 -0.0552 505 CLA c CMD ? ? 1 +57381 C CAD . CLA GQ . 0.7169 0.9431 0.9692 0.0839 0.0170 -0.0481 505 CLA c CAD ? ? 1 +57382 O OBD . CLA GQ . 0.7322 0.9416 0.9729 0.0821 0.0152 -0.0510 505 CLA c OBD ? ? 1 +57383 C CBD . CLA GQ . 0.6998 0.9398 0.9672 0.0855 0.0182 -0.0440 505 CLA c CBD ? ? 1 +57384 C CGD . CLA GQ . 0.7023 0.9359 0.9669 0.0932 0.0214 -0.0437 505 CLA c CGD ? ? 1 +57385 O O1D . CLA GQ . 0.6937 0.9290 0.9647 0.0933 0.0209 -0.0417 505 CLA c O1D ? ? 1 +57386 O O2D . CLA GQ . 0.7149 0.9393 0.9681 0.1010 0.0252 -0.0459 505 CLA c O2D ? ? 1 +57387 C CED . CLA GQ . 0.7219 0.9416 0.9732 0.1091 0.0283 -0.0455 505 CLA c CED ? ? 1 +57388 C C1 . CLA GQ . 0.7208 1.0256 1.0472 0.0513 0.0023 -0.0344 505 CLA c C1 ? ? 1 +57389 C C2 . CLA GQ . 0.7390 1.0591 1.0746 0.0501 0.0022 -0.0322 505 CLA c C2 ? ? 1 +57390 C C3 . CLA GQ . 0.7853 1.1060 1.1167 0.0473 0.0001 -0.0337 505 CLA c C3 ? ? 1 +57391 C C4 . CLA GQ . 0.8032 1.1097 1.1210 0.0448 -0.0027 -0.0379 505 CLA c C4 ? ? 1 +57392 C C5 . CLA GQ . 0.8242 1.1598 1.1648 0.0469 0.0005 -0.0311 505 CLA c C5 ? ? 1 +57393 C C6 . CLA GQ . 0.8748 1.2131 1.2166 0.0400 -0.0046 -0.0322 505 CLA c C6 ? ? 1 +57394 C C7 . CLA GQ . 0.9130 1.2665 1.2650 0.0394 -0.0043 -0.0291 505 CLA c C7 ? ? 1 +57395 C C8 . CLA GQ . 0.9607 1.3142 1.3052 0.0419 -0.0032 -0.0298 505 CLA c C8 ? ? 1 +57396 C C9 . CLA GQ . 0.9793 1.3188 1.3074 0.0438 -0.0034 -0.0336 505 CLA c C9 ? ? 1 +57397 C C10 . CLA GQ . 0.9749 1.3424 1.3287 0.0432 -0.0009 -0.0263 505 CLA c C10 ? ? 1 +57398 C C11 . CLA GQ . 1.0042 1.3721 1.3515 0.0483 0.0033 -0.0259 505 CLA c C11 ? ? 1 +57399 C C12 . CLA GQ . 1.0120 1.3934 1.3687 0.0472 0.0039 -0.0227 505 CLA c C12 ? ? 1 +57400 C C13 . CLA GQ . 1.0326 1.4156 1.3840 0.0518 0.0086 -0.0218 505 CLA c C13 ? ? 1 +57401 C C14 . CLA GQ . 1.0377 1.4115 1.3789 0.0579 0.0133 -0.0236 505 CLA c C14 ? ? 1 +57402 C C15 . CLA GQ . 1.0745 1.4553 1.4183 0.0492 0.0052 -0.0228 505 CLA c C15 ? ? 1 +57403 C C16 . CLA GQ . 1.0703 1.4633 1.4238 0.0465 0.0043 -0.0197 505 CLA c C16 ? ? 1 +57404 C C17 . CLA GQ . 1.0546 1.4440 1.3998 0.0437 -0.0004 -0.0211 505 CLA c C17 ? ? 1 +57405 C C18 . CLA GQ . 1.0144 1.4131 1.3645 0.0425 -0.0006 -0.0182 505 CLA c C18 ? ? 1 +57406 C C19 . CLA GQ . 0.9891 1.3979 1.3476 0.0451 0.0053 -0.0144 505 CLA c C19 ? ? 1 +57407 C C20 . CLA GQ . 1.0254 1.4244 1.3742 0.0379 -0.0074 -0.0193 505 CLA c C20 ? ? 1 +57408 MG MG A CLA GR . 0.2368 0.7683 0.7968 -0.0316 -0.0365 0.0023 403 CLA d MG ? ? 1 +57409 MG MG B CLA GR . 0.2367 0.7677 0.7961 -0.0315 -0.0366 0.0021 403 CLA d MG ? ? 1 +57410 C CHA A CLA GR . 0.2462 0.7768 0.8082 -0.0431 -0.0448 -0.0053 403 CLA d CHA ? ? 1 +57411 C CHA B CLA GR . 0.2455 0.7768 0.8080 -0.0432 -0.0449 -0.0053 403 CLA d CHA ? ? 1 +57412 C CHB A CLA GR . 0.2438 0.7779 0.7941 -0.0263 -0.0400 0.0013 403 CLA d CHB ? ? 1 +57413 C CHB B CLA GR . 0.2435 0.7775 0.7936 -0.0263 -0.0400 0.0012 403 CLA d CHB ? ? 1 +57414 C CHC A CLA GR . 0.2388 0.7654 0.7913 -0.0195 -0.0285 0.0068 403 CLA d CHC ? ? 1 +57415 C CHC B CLA GR . 0.2384 0.7644 0.7905 -0.0196 -0.0286 0.0066 403 CLA d CHC ? ? 1 +57416 C CHD A CLA GR . 0.2474 0.7616 0.8029 -0.0359 -0.0325 0.0012 403 CLA d CHD ? ? 1 +57417 C CHD B CLA GR . 0.2467 0.7608 0.8022 -0.0362 -0.0327 0.0010 403 CLA d CHD ? ? 1 +57418 N NA A CLA GR . 0.2432 0.7759 0.8004 -0.0339 -0.0415 -0.0010 403 CLA d NA ? ? 1 +57419 N NA B CLA GR . 0.2431 0.7758 0.8002 -0.0339 -0.0416 -0.0011 403 CLA d NA ? ? 1 +57420 C C1A A CLA GR . 0.2456 0.7790 0.8049 -0.0383 -0.0447 -0.0037 403 CLA d C1A ? ? 1 +57421 C C1A B CLA GR . 0.2452 0.7790 0.8048 -0.0384 -0.0448 -0.0037 403 CLA d C1A ? ? 1 +57422 C C2A A CLA GR . 0.2467 0.7850 0.8067 -0.0386 -0.0485 -0.0050 403 CLA d C2A ? ? 1 +57423 C C2A B CLA GR . 0.2470 0.7856 0.8071 -0.0386 -0.0486 -0.0049 403 CLA d C2A ? ? 1 +57424 C C3A A CLA GR . 0.2437 0.7836 0.8007 -0.0334 -0.0468 -0.0023 403 CLA d C3A ? ? 1 +57425 C C3A B CLA GR . 0.2437 0.7838 0.8007 -0.0333 -0.0468 -0.0023 403 CLA d C3A ? ? 1 +57426 C C4A A CLA GR . 0.2437 0.7788 0.7982 -0.0310 -0.0425 -0.0006 403 CLA d C4A ? ? 1 +57427 C C4A B CLA GR . 0.2436 0.7787 0.7979 -0.0309 -0.0425 -0.0006 403 CLA d C4A ? ? 1 +57428 C CMA A CLA GR . 0.2326 0.7825 0.7980 -0.0329 -0.0470 0.0002 403 CLA d CMA ? ? 1 +57429 C CMA B CLA GR . 0.2325 0.7825 0.7978 -0.0327 -0.0469 0.0004 403 CLA d CMA ? ? 1 +57430 C CAA A CLA GR . 0.2603 0.7924 0.8135 -0.0406 -0.0517 -0.0089 403 CLA d CAA ? ? 1 +57431 C CAA B CLA GR . 0.2613 0.7938 0.8146 -0.0405 -0.0518 -0.0089 403 CLA d CAA ? ? 1 +57432 C CBA A CLA GR . 0.2633 0.7999 0.8158 -0.0400 -0.0558 -0.0102 403 CLA d CBA ? ? 1 +57433 C CBA B CLA GR . 0.2652 0.8022 0.8181 -0.0402 -0.0561 -0.0102 403 CLA d CBA ? ? 1 +57434 C CGA A CLA GR . 0.2778 0.8075 0.8225 -0.0415 -0.0590 -0.0142 403 CLA d CGA ? ? 1 +57435 C CGA B CLA GR . 0.2811 0.8106 0.8255 -0.0413 -0.0589 -0.0141 403 CLA d CGA ? ? 1 +57436 O O1A A CLA GR . 0.2836 0.8120 0.8221 -0.0392 -0.0614 -0.0151 403 CLA d O1A ? ? 1 +57437 O O1A B CLA GR . 0.2880 0.8153 0.8253 -0.0385 -0.0606 -0.0148 403 CLA d O1A ? ? 1 +57438 O O2A A CLA GR . 0.2881 0.8119 0.8317 -0.0459 -0.0595 -0.0173 403 CLA d O2A ? ? 1 +57439 O O2A B CLA GR . 0.2926 0.8170 0.8367 -0.0460 -0.0597 -0.0173 403 CLA d O2A ? ? 1 +57440 N NB A CLA GR . 0.2400 0.7703 0.7928 -0.0246 -0.0344 0.0038 403 CLA d NB ? ? 1 +57441 N NB B CLA GR . 0.2398 0.7696 0.7920 -0.0246 -0.0344 0.0036 403 CLA d NB ? ? 1 +57442 C C1B A CLA GR . 0.2417 0.7737 0.7914 -0.0232 -0.0359 0.0034 403 CLA d C1B ? ? 1 +57443 C C1B B CLA GR . 0.2413 0.7731 0.7907 -0.0231 -0.0358 0.0033 403 CLA d C1B ? ? 1 +57444 C C2B A CLA GR . 0.2429 0.7738 0.7879 -0.0181 -0.0331 0.0049 403 CLA d C2B ? ? 1 +57445 C C2B B CLA GR . 0.2417 0.7726 0.7866 -0.0181 -0.0330 0.0049 403 CLA d C2B ? ? 1 +57446 C C3B A CLA GR . 0.2417 0.7710 0.7882 -0.0163 -0.0298 0.0063 403 CLA d C3B ? ? 1 +57447 C C3B B CLA GR . 0.2411 0.7702 0.7873 -0.0162 -0.0297 0.0063 403 CLA d C3B ? ? 1 +57448 C C4B A CLA GR . 0.2396 0.7687 0.7907 -0.0204 -0.0310 0.0057 403 CLA d C4B ? ? 1 +57449 C C4B B CLA GR . 0.2392 0.7679 0.7899 -0.0203 -0.0310 0.0056 403 CLA d C4B ? ? 1 +57450 C CMB A CLA GR . 0.2463 0.7776 0.7862 -0.0156 -0.0335 0.0049 403 CLA d CMB ? ? 1 +57451 C CMB B CLA GR . 0.2449 0.7764 0.7849 -0.0156 -0.0335 0.0050 403 CLA d CMB ? ? 1 +57452 C CAB A CLA GR . 0.2419 0.7706 0.7864 -0.0113 -0.0259 0.0081 403 CLA d CAB ? ? 1 +57453 C CAB B CLA GR . 0.2412 0.7699 0.7858 -0.0113 -0.0259 0.0081 403 CLA d CAB ? ? 1 +57454 C CBB A CLA GR . 0.2435 0.7734 0.7847 -0.0082 -0.0246 0.0087 403 CLA d CBB ? ? 1 +57455 C CBB B CLA GR . 0.2412 0.7722 0.7838 -0.0082 -0.0243 0.0091 403 CLA d CBB ? ? 1 +57456 N NC A CLA GR . 0.2420 0.7644 0.7969 -0.0283 -0.0321 0.0036 403 CLA d NC ? ? 1 +57457 N NC B CLA GR . 0.2415 0.7634 0.7960 -0.0285 -0.0321 0.0034 403 CLA d NC ? ? 1 +57458 C C1C A CLA GR . 0.2413 0.7634 0.7943 -0.0233 -0.0292 0.0056 403 CLA d C1C ? ? 1 +57459 C C1C B CLA GR . 0.2408 0.7625 0.7935 -0.0234 -0.0293 0.0054 403 CLA d C1C ? ? 1 +57460 C C2C A CLA GR . 0.2451 0.7610 0.7953 -0.0213 -0.0267 0.0063 403 CLA d C2C ? ? 1 +57461 C C2C B CLA GR . 0.2440 0.7597 0.7942 -0.0216 -0.0268 0.0062 403 CLA d C2C ? ? 1 +57462 C C3C A CLA GR . 0.2478 0.7595 0.7983 -0.0262 -0.0279 0.0047 403 CLA d C3C ? ? 1 +57463 C C3C B CLA GR . 0.2467 0.7582 0.7972 -0.0265 -0.0280 0.0046 403 CLA d C3C ? ? 1 +57464 C C4C A CLA GR . 0.2448 0.7617 0.7991 -0.0302 -0.0309 0.0033 403 CLA d C4C ? ? 1 +57465 C C4C B CLA GR . 0.2441 0.7607 0.7982 -0.0305 -0.0311 0.0031 403 CLA d C4C ? ? 1 +57466 C CMC A CLA GR . 0.2462 0.7609 0.7943 -0.0157 -0.0237 0.0080 403 CLA d CMC ? ? 1 +57467 C CMC B CLA GR . 0.2450 0.7597 0.7932 -0.0160 -0.0238 0.0080 403 CLA d CMC ? ? 1 +57468 C CAC A CLA GR . 0.2531 0.7573 0.8011 -0.0272 -0.0264 0.0047 403 CLA d CAC ? ? 1 +57469 C CAC B CLA GR . 0.2514 0.7557 0.7997 -0.0275 -0.0264 0.0047 403 CLA d CAC ? ? 1 +57470 C CBC A CLA GR . 0.2425 0.7546 0.8000 -0.0297 -0.0264 0.0066 403 CLA d CBC ? ? 1 +57471 C CBC B CLA GR . 0.2407 0.7529 0.7984 -0.0300 -0.0265 0.0066 403 CLA d CBC ? ? 1 +57472 N ND A CLA GR . 0.2465 0.7689 0.8035 -0.0375 -0.0379 -0.0014 403 CLA d ND ? ? 1 +57473 N ND B CLA GR . 0.2460 0.7684 0.8030 -0.0377 -0.0380 -0.0015 403 CLA d ND ? ? 1 +57474 C C1D A CLA GR . 0.2469 0.7650 0.8050 -0.0397 -0.0358 -0.0011 403 CLA d C1D ? ? 1 +57475 C C1D B CLA GR . 0.2463 0.7646 0.8046 -0.0399 -0.0360 -0.0012 403 CLA d C1D ? ? 1 +57476 C C2D A CLA GR . 0.2491 0.7663 0.8100 -0.0458 -0.0377 -0.0036 403 CLA d C2D ? ? 1 +57477 C C2D B CLA GR . 0.2484 0.7660 0.8097 -0.0460 -0.0378 -0.0037 403 CLA d C2D ? ? 1 +57478 C C3D A CLA GR . 0.2480 0.7712 0.8112 -0.0470 -0.0413 -0.0053 403 CLA d C3D ? ? 1 +57479 C C3D B CLA GR . 0.2474 0.7711 0.8110 -0.0472 -0.0414 -0.0053 403 CLA d C3D ? ? 1 +57480 C C4D A CLA GR . 0.2457 0.7717 0.8068 -0.0423 -0.0411 -0.0037 403 CLA d C4D ? ? 1 +57481 C C4D B CLA GR . 0.2449 0.7713 0.8064 -0.0424 -0.0413 -0.0037 403 CLA d C4D ? ? 1 +57482 C CMD A CLA GR . 0.2523 0.7646 0.8141 -0.0503 -0.0365 -0.0046 403 CLA d CMD ? ? 1 +57483 C CMD B CLA GR . 0.2517 0.7644 0.8138 -0.0505 -0.0367 -0.0046 403 CLA d CMD ? ? 1 +57484 C CAD A CLA GR . 0.2484 0.7760 0.8157 -0.0515 -0.0451 -0.0082 403 CLA d CAD ? ? 1 +57485 C CAD B CLA GR . 0.2476 0.7758 0.8154 -0.0517 -0.0452 -0.0082 403 CLA d CAD ? ? 1 +57486 O OBD A CLA GR . 0.2502 0.7775 0.8211 -0.0569 -0.0459 -0.0104 403 CLA d OBD ? ? 1 +57487 O OBD B CLA GR . 0.2493 0.7774 0.8210 -0.0570 -0.0461 -0.0103 403 CLA d OBD ? ? 1 +57488 C CBD A CLA GR . 0.2467 0.7796 0.8134 -0.0488 -0.0478 -0.0083 403 CLA d CBD ? ? 1 +57489 C CBD B CLA GR . 0.2461 0.7796 0.8134 -0.0489 -0.0479 -0.0082 403 CLA d CBD ? ? 1 +57490 C CGD A CLA GR . 0.2360 0.7802 0.8131 -0.0505 -0.0494 -0.0074 403 CLA d CGD ? ? 1 +57491 C CGD B CLA GR . 0.2352 0.7800 0.8131 -0.0507 -0.0495 -0.0073 403 CLA d CGD ? ? 1 +57492 O O1D A CLA GR . 0.2275 0.7772 0.8095 -0.0484 -0.0476 -0.0043 403 CLA d O1D ? ? 1 +57493 O O1D B CLA GR . 0.2266 0.7767 0.8095 -0.0488 -0.0475 -0.0042 403 CLA d O1D ? ? 1 +57494 O O2D A CLA GR . 0.2359 0.7850 0.8180 -0.0546 -0.0534 -0.0103 403 CLA d O2D ? ? 1 +57495 O O2D B CLA GR . 0.2351 0.7848 0.8178 -0.0548 -0.0534 -0.0103 403 CLA d O2D ? ? 1 +57496 C CED A CLA GR . 0.2257 0.7853 0.8181 -0.0560 -0.0544 -0.0093 403 CLA d CED ? ? 1 +57497 C CED B CLA GR . 0.2248 0.7851 0.8177 -0.0561 -0.0546 -0.0093 403 CLA d CED ? ? 1 +57498 C C1 A CLA GR . 0.3027 0.8205 0.8389 -0.0472 -0.0629 -0.0212 403 CLA d C1 ? ? 1 +57499 C C1 B CLA GR . 0.3091 0.8268 0.8455 -0.0473 -0.0629 -0.0212 403 CLA d C1 ? ? 1 +57500 C C2 A CLA GR . 0.3064 0.8267 0.8482 -0.0533 -0.0666 -0.0250 403 CLA d C2 ? ? 1 +57501 C C2 B CLA GR . 0.3133 0.8340 0.8555 -0.0534 -0.0668 -0.0250 403 CLA d C2 ? ? 1 +57502 C C3 A CLA GR . 0.3070 0.8350 0.8536 -0.0546 -0.0713 -0.0268 403 CLA d C3 ? ? 1 +57503 C C3 B CLA GR . 0.3153 0.8438 0.8622 -0.0545 -0.0715 -0.0268 403 CLA d C3 ? ? 1 +57504 C C4 A CLA GR . 0.3031 0.8364 0.8487 -0.0498 -0.0727 -0.0246 403 CLA d C4 ? ? 1 +57505 C C4 B CLA GR . 0.3113 0.8450 0.8571 -0.0497 -0.0729 -0.0246 403 CLA d C4 ? ? 1 +57506 C C5 A CLA GR . 0.3113 0.8429 0.8647 -0.0609 -0.0750 -0.0309 403 CLA d C5 ? ? 1 +57507 C C5 B CLA GR . 0.3215 0.8534 0.8751 -0.0608 -0.0752 -0.0309 403 CLA d C5 ? ? 1 +57508 C C6 A CLA GR . 0.3209 0.8536 0.8711 -0.0612 -0.0811 -0.0348 403 CLA d C6 ? ? 1 +57509 C C6 B CLA GR . 0.3331 0.8658 0.8834 -0.0615 -0.0812 -0.0350 403 CLA d C6 ? ? 1 +57510 C C7 A CLA GR . 0.3370 0.8575 0.8740 -0.0599 -0.0812 -0.0369 403 CLA d C7 ? ? 1 +57511 C C7 B CLA GR . 0.3500 0.8712 0.8863 -0.0587 -0.0814 -0.0363 403 CLA d C7 ? ? 1 +57512 C C8 A CLA GR . 0.3492 0.8676 0.8793 -0.0594 -0.0868 -0.0407 403 CLA d C8 ? ? 1 +57513 C C8 B CLA GR . 0.3641 0.8829 0.8943 -0.0593 -0.0871 -0.0408 403 CLA d C8 ? ? 1 +57514 C C9 A CLA GR . 0.3462 0.8736 0.8799 -0.0581 -0.0923 -0.0417 403 CLA d C9 ? ? 1 +57515 C C9 B CLA GR . 0.3612 0.8891 0.8955 -0.0586 -0.0929 -0.0422 403 CLA d C9 ? ? 1 +57516 C C10 A CLA GR . 0.3658 0.8719 0.8839 -0.0593 -0.0867 -0.0433 403 CLA d C10 ? ? 1 +57517 C C10 B CLA GR . 0.3832 0.8896 0.9017 -0.0595 -0.0868 -0.0434 403 CLA d C10 ? ? 1 +57518 C C11 A CLA GR . 0.3803 0.8834 0.8933 -0.0615 -0.0927 -0.0487 403 CLA d C11 ? ? 1 +57519 C C11 B CLA GR . 0.4009 0.9041 0.9143 -0.0619 -0.0927 -0.0488 403 CLA d C11 ? ? 1 +57520 C C12 A CLA GR . 0.3964 0.8853 0.8962 -0.0606 -0.0907 -0.0502 403 CLA d C12 ? ? 1 +57521 C C12 B CLA GR . 0.4208 0.9097 0.9203 -0.0604 -0.0908 -0.0501 403 CLA d C12 ? ? 1 +57522 C C13 A CLA GR . 0.4130 0.8967 0.9066 -0.0635 -0.0961 -0.0559 403 CLA d C13 ? ? 1 +57523 C C13 B CLA GR . 0.4414 0.9250 0.9347 -0.0633 -0.0962 -0.0559 403 CLA d C13 ? ? 1 +57524 C C14 A CLA GR . 0.4209 0.9029 0.9046 -0.0585 -0.1000 -0.0566 403 CLA d C14 ? ? 1 +57525 C C14 B CLA GR . 0.4520 0.9333 0.9350 -0.0583 -0.0999 -0.0567 403 CLA d C14 ? ? 1 +57526 C C15 A CLA GR . 0.4269 0.8974 0.9124 -0.0658 -0.0934 -0.0579 403 CLA d C15 ? ? 1 +57527 C C15 B CLA GR . 0.4578 0.9285 0.9436 -0.0658 -0.0933 -0.0579 403 CLA d C15 ? ? 1 +57528 C C16 A CLA GR . 0.4367 0.8957 0.9085 -0.0601 -0.0893 -0.0558 403 CLA d C16 ? ? 1 +57529 C C16 B CLA GR . 0.4698 0.9288 0.9419 -0.0602 -0.0891 -0.0557 403 CLA d C16 ? ? 1 +57530 C C17 A CLA GR . 0.4477 0.8958 0.9158 -0.0638 -0.0864 -0.0577 403 CLA d C17 ? ? 1 +57531 C C17 B CLA GR . 0.4837 0.9320 0.9525 -0.0640 -0.0860 -0.0574 403 CLA d C17 ? ? 1 +57532 C C18 A CLA GR . 0.4588 0.8939 0.9149 -0.0597 -0.0813 -0.0561 403 CLA d C18 ? ? 1 +57533 C C18 B CLA GR . 0.4999 0.9348 0.9561 -0.0599 -0.0813 -0.0562 403 CLA d C18 ? ? 1 +57534 C C19 A CLA GR . 0.4535 0.8889 0.9074 -0.0530 -0.0760 -0.0507 403 CLA d C19 ? ? 1 +57535 C C19 B CLA GR . 0.4974 0.9320 0.9509 -0.0532 -0.0759 -0.0509 403 CLA d C19 ? ? 1 +57536 C C20 A CLA GR . 0.4765 0.8978 0.9216 -0.0620 -0.0822 -0.0605 403 CLA d C20 ? ? 1 +57537 C C20 B CLA GR . 0.5188 0.9403 0.9642 -0.0624 -0.0826 -0.0608 403 CLA d C20 ? ? 1 +57538 CA CA . CA GS . 0.5041 1.4491 1.4065 0.2680 -0.1439 -0.0632 301 CA o CA ? ? 1 +57539 C C1 . BCR GT . 0.1194 0.9587 0.9968 0.0497 -0.0658 -0.0179 409 BCR A C1 ? ? 1 +57540 C C2 . BCR GT . 0.1241 0.9719 1.0087 0.0578 -0.0696 -0.0209 409 BCR A C2 ? ? 1 +57541 C C3 . BCR GT . 0.1212 0.9825 1.0201 0.0572 -0.0657 -0.0249 409 BCR A C3 ? ? 1 +57542 C C4 . BCR GT . 0.1134 0.9865 1.0235 0.0504 -0.0647 -0.0280 409 BCR A C4 ? ? 1 +57543 C C5 . BCR GT . 0.1070 0.9721 1.0099 0.0425 -0.0622 -0.0253 409 BCR A C5 ? ? 1 +57544 C C6 . BCR GT . 0.1098 0.9596 0.9979 0.0425 -0.0625 -0.0207 409 BCR A C6 ? ? 1 +57545 C C7 . BCR GT . 0.1022 0.9439 0.9831 0.0353 -0.0598 -0.0179 409 BCR A C7 ? ? 1 +57546 C C8 . BCR GT . 0.0954 0.9389 0.9797 0.0283 -0.0541 -0.0183 409 BCR A C8 ? ? 1 +57547 C C9 . BCR GT . 0.0913 0.9264 0.9681 0.0221 -0.0516 -0.0156 409 BCR A C9 ? ? 1 +57548 C C10 . BCR GT . 0.0862 0.9208 0.9644 0.0165 -0.0450 -0.0155 409 BCR A C10 ? ? 1 +57549 C C11 . BCR GT . 0.0818 0.9089 0.9536 0.0103 -0.0418 -0.0132 409 BCR A C11 ? ? 1 +57550 C C33 . BCR GT . 0.0974 0.9730 1.0112 0.0352 -0.0590 -0.0282 409 BCR A C33 ? ? 1 +57551 C C31 . BCR GT . 0.1229 0.9524 0.9888 0.0500 -0.0706 -0.0149 409 BCR A C31 ? ? 1 +57552 C C32 . BCR GT . 0.1223 0.9508 0.9916 0.0491 -0.0603 -0.0150 409 BCR A C32 ? ? 1 +57553 C C34 . BCR GT . 0.0918 0.9181 0.9585 0.0213 -0.0556 -0.0128 409 BCR A C34 ? ? 1 +57554 C C12 . BCR GT . 0.0780 0.9023 0.9489 0.0054 -0.0354 -0.0125 409 BCR A C12 ? ? 1 +57555 C C13 . BCR GT . 0.0731 0.8902 0.9376 -0.0006 -0.0326 -0.0103 409 BCR A C13 ? ? 1 +57556 C C14 . BCR GT . 0.0704 0.8840 0.9332 -0.0044 -0.0263 -0.0096 409 BCR A C14 ? ? 1 +57557 C C15 . BCR GT . 0.0674 0.8740 0.9240 -0.0100 -0.0230 -0.0076 409 BCR A C15 ? ? 1 +57558 C C16 . BCR GT . 0.0660 0.8690 0.9205 -0.0133 -0.0169 -0.0070 409 BCR A C16 ? ? 1 +57559 C C17 . BCR GT . 0.0637 0.8589 0.9112 -0.0183 -0.0138 -0.0050 409 BCR A C17 ? ? 1 +57560 C C18 . BCR GT . 0.0638 0.8548 0.9083 -0.0214 -0.0079 -0.0043 409 BCR A C18 ? ? 1 +57561 C C19 . BCR GT . 0.0637 0.8468 0.9008 -0.0261 -0.0058 -0.0022 409 BCR A C19 ? ? 1 +57562 C C20 . BCR GT . 0.0656 0.8444 0.8993 -0.0299 -0.0002 -0.0017 409 BCR A C20 ? ? 1 +57563 C C21 . BCR GT . 0.0656 0.8351 0.8903 -0.0333 0.0010 0.0009 409 BCR A C21 ? ? 1 +57564 C C22 . BCR GT . 0.0673 0.8322 0.8882 -0.0377 0.0062 0.0014 409 BCR A C22 ? ? 1 +57565 C C23 . BCR GT . 0.0674 0.8227 0.8788 -0.0402 0.0061 0.0040 409 BCR A C23 ? ? 1 +57566 C C24 . BCR GT . 0.0706 0.8222 0.8791 -0.0448 0.0104 0.0043 409 BCR A C24 ? ? 1 +57567 C C25 . BCR GT . 0.0725 0.8146 0.8715 -0.0474 0.0108 0.0067 409 BCR A C25 ? ? 1 +57568 C C26 . BCR GT . 0.0725 0.8064 0.8626 -0.0452 0.0086 0.0094 409 BCR A C26 ? ? 1 +57569 C C27 . BCR GT . 0.0742 0.7993 0.8554 -0.0475 0.0082 0.0117 409 BCR A C27 ? ? 1 +57570 C C28 . BCR GT . 0.0751 0.8015 0.8584 -0.0519 0.0091 0.0109 409 BCR A C28 ? ? 1 +57571 C C29 . BCR GT . 0.0782 0.8102 0.8682 -0.0550 0.0138 0.0084 409 BCR A C29 ? ? 1 +57572 C C30 . BCR GT . 0.0756 0.8184 0.8763 -0.0527 0.0130 0.0058 409 BCR A C30 ? ? 1 +57573 C C35 . BCR GT . 0.0714 0.8845 0.9308 -0.0029 -0.0363 -0.0089 409 BCR A C35 ? ? 1 +57574 C C36 . BCR GT . 0.0650 0.8591 0.9132 -0.0192 -0.0039 -0.0058 409 BCR A C36 ? ? 1 +57575 C C37 . BCR GT . 0.0678 0.8384 0.8952 -0.0394 0.0118 -0.0011 409 BCR A C37 ? ? 1 +57576 C C38 . BCR GT . 0.0706 0.8030 0.8585 -0.0403 0.0064 0.0103 409 BCR A C38 ? ? 1 +57577 C C39 . BCR GT . 0.0726 0.8222 0.8801 -0.0530 0.0086 0.0044 409 BCR A C39 ? ? 1 +57578 C C40 . BCR GT . 0.0801 0.8274 0.8865 -0.0555 0.0190 0.0035 409 BCR A C40 ? ? 1 +57579 MG MG . CLA GU . 0.2417 0.8600 0.9434 -0.1027 0.1066 0.0625 615 CLA B MG ? ? 1 +57580 C CHA . CLA GU . 0.2246 0.8468 0.9211 -0.0886 0.0865 0.0622 615 CLA B CHA ? ? 1 +57581 C CHB . CLA GU . 0.2208 0.8760 0.9549 -0.1013 0.1063 0.0550 615 CLA B CHB ? ? 1 +57582 C CHC . CLA GU . 0.2698 0.8796 0.9660 -0.1127 0.1301 0.0646 615 CLA B CHC ? ? 1 +57583 C CHD . CLA GU . 0.2722 0.8483 0.9306 -0.0982 0.1073 0.0716 615 CLA B CHD ? ? 1 +57584 N NA . CLA GU . 0.2267 0.8614 0.9393 -0.0964 0.0981 0.0594 615 CLA B NA ? ? 1 +57585 C C1A . CLA GU . 0.2211 0.8558 0.9311 -0.0917 0.0904 0.0595 615 CLA B C1A ? ? 1 +57586 C C2A . CLA GU . 0.2117 0.8605 0.9334 -0.0889 0.0856 0.0566 615 CLA B C2A ? ? 1 +57587 C C3A . CLA GU . 0.2080 0.8671 0.9415 -0.0927 0.0916 0.0543 615 CLA B C3A ? ? 1 +57588 C C4A . CLA GU . 0.2200 0.8690 0.9463 -0.0972 0.0993 0.0564 615 CLA B C4A ? ? 1 +57589 C CMA . CLA GU . 0.2034 0.8698 0.9390 -0.0887 0.0922 0.0534 615 CLA B CMA ? ? 1 +57590 C CAA . CLA GU . 0.2088 0.8620 0.9369 -0.0885 0.0782 0.0549 615 CLA B CAA ? ? 1 +57591 C CBA . CLA GU . 0.2027 0.8706 0.9445 -0.0872 0.0740 0.0515 615 CLA B CBA ? ? 1 +57592 C CGA . CLA GU . 0.2062 0.8768 0.9451 -0.0812 0.0704 0.0516 615 CLA B CGA ? ? 1 +57593 O O1A . CLA GU . 0.2137 0.8755 0.9407 -0.0778 0.0693 0.0539 615 CLA B O1A ? ? 1 +57594 O O2A . CLA GU . 0.2132 0.8971 0.9639 -0.0797 0.0680 0.0486 615 CLA B O2A ? ? 1 +57595 N NB . CLA GU . 0.2441 0.8747 0.9573 -0.1063 0.1163 0.0603 615 CLA B NB ? ? 1 +57596 C C1B . CLA GU . 0.2337 0.8800 0.9612 -0.1056 0.1150 0.0569 615 CLA B C1B ? ? 1 +57597 C C2B . CLA GU . 0.2374 0.8914 0.9725 -0.1085 0.1229 0.0555 615 CLA B C2B ? ? 1 +57598 C C3B . CLA GU . 0.2525 0.8930 0.9763 -0.1122 0.1303 0.0584 615 CLA B C3B ? ? 1 +57599 C C4B . CLA GU . 0.2549 0.8816 0.9660 -0.1106 0.1255 0.0611 615 CLA B C4B ? ? 1 +57600 C CMB . CLA GU . 0.2279 0.8989 0.9784 -0.1079 0.1235 0.0519 615 CLA B CMB ? ? 1 +57601 C CAB . CLA GU . 0.2618 0.9045 0.9888 -0.1164 0.1404 0.0580 615 CLA B CAB ? ? 1 +57602 C CBB . CLA GU . 0.2770 0.9080 0.9949 -0.1205 0.1480 0.0604 615 CLA B CBB ? ? 1 +57603 N NC . CLA GU . 0.2641 0.8618 0.9457 -0.1048 0.1162 0.0672 615 CLA B NC ? ? 1 +57604 C C1C . CLA GU . 0.2745 0.8703 0.9559 -0.1092 0.1253 0.0676 615 CLA B C1C ? ? 1 +57605 C C2C . CLA GU . 0.2917 0.8698 0.9557 -0.1099 0.1307 0.0714 615 CLA B C2C ? ? 1 +57606 C C3C . CLA GU . 0.2911 0.8595 0.9442 -0.1054 0.1236 0.0734 615 CLA B C3C ? ? 1 +57607 C C4C . CLA GU . 0.2747 0.8562 0.9402 -0.1031 0.1155 0.0705 615 CLA B C4C ? ? 1 +57608 C CMC . CLA GU . 0.3069 0.8780 0.9653 -0.1142 0.1412 0.0730 615 CLA B CMC ? ? 1 +57609 C CAC . CLA GU . 0.3060 0.8555 0.9398 -0.1036 0.1245 0.0774 615 CLA B CAC ? ? 1 +57610 C CBC . CLA GU . 0.3122 0.8555 0.9330 -0.0980 0.1250 0.0796 615 CLA B CBC ? ? 1 +57611 N ND . CLA GU . 0.2454 0.8488 0.9283 -0.0955 0.0987 0.0660 615 CLA B ND ? ? 1 +57612 C C1D . CLA GU . 0.2576 0.8445 0.9237 -0.0940 0.0997 0.0696 615 CLA B C1D ? ? 1 +57613 C C2D . CLA GU . 0.2551 0.8382 0.9146 -0.0885 0.0915 0.0705 615 CLA B C2D ? ? 1 +57614 C C3D . CLA GU . 0.2401 0.8382 0.9127 -0.0867 0.0865 0.0674 615 CLA B C3D ? ? 1 +57615 C C4D . CLA GU . 0.2368 0.8450 0.9206 -0.0902 0.0912 0.0653 615 CLA B C4D ? ? 1 +57616 C CMD . CLA GU . 0.2623 0.8315 0.9067 -0.0848 0.0882 0.0734 615 CLA B CMD ? ? 1 +57617 C CAD . CLA GU . 0.2283 0.8337 0.9051 -0.0821 0.0786 0.0659 615 CLA B CAD ? ? 1 +57618 O OBD . CLA GU . 0.2261 0.8268 0.8961 -0.0779 0.0726 0.0669 615 CLA B OBD ? ? 1 +57619 C CBD . CLA GU . 0.2186 0.8392 0.9105 -0.0832 0.0784 0.0627 615 CLA B CBD ? ? 1 +57620 C CGD . CLA GU . 0.2142 0.8393 0.9047 -0.0780 0.0755 0.0623 615 CLA B CGD ? ? 1 +57621 O O1D . CLA GU . 0.2203 0.8437 0.9056 -0.0764 0.0792 0.0632 615 CLA B O1D ? ? 1 +57622 O O2D . CLA GU . 0.2048 0.8359 0.8999 -0.0747 0.0679 0.0609 615 CLA B O2D ? ? 1 +57623 C CED . CLA GU . 0.2020 0.8367 0.8955 -0.0699 0.0652 0.0605 615 CLA B CED ? ? 1 +57624 C C1 . CLA GU . 0.2291 0.9160 0.9780 -0.0743 0.0646 0.0483 615 CLA B C1 ? ? 1 +57625 C C2 . CLA GU . 0.2573 0.9443 1.0029 -0.0728 0.0700 0.0489 615 CLA B C2 ? ? 1 +57626 C C3 . CLA GU . 0.2903 0.9873 1.0439 -0.0710 0.0708 0.0468 615 CLA B C3 ? ? 1 +57627 C C4 . CLA GU . 0.2737 0.9830 1.0402 -0.0701 0.0661 0.0436 615 CLA B C4 ? ? 1 +57628 C C5 . CLA GU . 0.3412 1.0369 1.0900 -0.0693 0.0765 0.0475 615 CLA B C5 ? ? 1 +57629 C C6 . CLA GU . 0.3996 1.0973 1.1532 -0.0743 0.0844 0.0472 615 CLA B C6 ? ? 1 +57630 C C7 . CLA GU . 0.4643 1.1636 1.2158 -0.0722 0.0899 0.0472 615 CLA B C7 ? ? 1 +57631 C C8 . CLA GU . 0.5356 1.2253 1.2776 -0.0748 0.0977 0.0496 615 CLA B C8 ? ? 1 +57632 C C9 . CLA GU . 0.5661 1.2495 1.3068 -0.0808 0.1016 0.0509 615 CLA B C9 ? ? 1 +57633 C C10 . CLA GU . 0.5504 1.2344 1.2819 -0.0714 0.1016 0.0511 615 CLA B C10 ? ? 1 +57634 C C11 . CLA GU . 0.5543 1.2228 1.2691 -0.0716 0.1047 0.0547 615 CLA B C11 ? ? 1 +57635 C C12 . CLA GU . 0.5595 1.2265 1.2707 -0.0722 0.1134 0.0552 615 CLA B C12 ? ? 1 +57636 C C13 . CLA GU . 0.5536 1.2083 1.2542 -0.0759 0.1197 0.0580 615 CLA B C13 ? ? 1 +57637 C C14 . CLA GU . 0.5743 1.2249 1.2669 -0.0745 0.1269 0.0590 615 CLA B C14 ? ? 1 +57638 C C15 . CLA GU . 0.5398 1.1813 1.2272 -0.0746 0.1146 0.0609 615 CLA B C15 ? ? 1 +57639 C C16 . CLA GU . 0.5469 1.1800 1.2306 -0.0799 0.1186 0.0627 615 CLA B C16 ? ? 1 +57640 C C17 . CLA GU . 0.5402 1.1843 1.2406 -0.0849 0.1186 0.0601 615 CLA B C17 ? ? 1 +57641 C C18 . CLA GU . 0.5395 1.1773 1.2395 -0.0907 0.1213 0.0612 615 CLA B C18 ? ? 1 +57642 C C19 . CLA GU . 0.5212 1.1574 1.2230 -0.0913 0.1142 0.0611 615 CLA B C19 ? ? 1 +57643 C C20 . CLA GU . 0.5689 1.2007 1.2652 -0.0958 0.1312 0.0625 615 CLA B C20 ? ? 1 +57644 MG MG . CLA GV . 0.4033 0.9264 1.0501 0.1711 -0.0143 -0.0086 510 CLA C MG ? ? 1 +57645 C CHA . CLA GV . 0.3724 0.9390 1.0513 0.1637 -0.0068 -0.0140 510 CLA C CHA ? ? 1 +57646 C CHB . CLA GV . 0.4123 0.9094 1.0392 0.1571 -0.0067 -0.0089 510 CLA C CHB ? ? 1 +57647 C CHC . CLA GV . 0.4286 0.9097 1.0440 0.1711 -0.0220 -0.0008 510 CLA C CHC ? ? 1 +57648 C CHD . CLA GV . 0.3934 0.9451 1.0611 0.1833 -0.0251 -0.0078 510 CLA C CHD ? ? 1 +57649 N NA . CLA GV . 0.3920 0.9227 1.0439 0.1609 -0.0082 -0.0104 510 CLA C NA ? ? 1 +57650 C C1A . CLA GV . 0.3826 0.9299 1.0466 0.1597 -0.0055 -0.0126 510 CLA C C1A ? ? 1 +57651 C C2A . CLA GV . 0.3833 0.9288 1.0452 0.1543 -0.0005 -0.0141 510 CLA C C2A ? ? 1 +57652 C C3A . CLA GV . 0.3913 0.9159 1.0374 0.1514 -0.0010 -0.0123 510 CLA C C3A ? ? 1 +57653 C C4A . CLA GV . 0.3987 0.9155 1.0399 0.1565 -0.0057 -0.0103 510 CLA C C4A ? ? 1 +57654 C CMA . CLA GV . 0.3822 0.9038 1.0252 0.1406 -0.0007 -0.0104 510 CLA C CMA ? ? 1 +57655 C CAA . CLA GV . 0.3936 0.9448 1.0600 0.1605 0.0038 -0.0180 510 CLA C CAA ? ? 1 +57656 C CBA . CLA GV . 0.4011 0.9481 1.0631 0.1556 0.0089 -0.0195 510 CLA C CBA ? ? 1 +57657 C CGA . CLA GV . 0.3952 0.9559 1.0664 0.1480 0.0113 -0.0196 510 CLA C CGA ? ? 1 +57658 O O1A . CLA GV . 0.3875 0.9603 1.0681 0.1454 0.0092 -0.0185 510 CLA C O1A ? ? 1 +57659 O O2A . CLA GV . 0.4062 0.9655 1.0747 0.1435 0.0163 -0.0212 510 CLA C O2A ? ? 1 +57660 N NB . CLA GV . 0.4173 0.9124 1.0432 0.1646 -0.0145 -0.0053 510 CLA C NB ? ? 1 +57661 C C1B . CLA GV . 0.4199 0.9061 1.0392 0.1600 -0.0109 -0.0062 510 CLA C C1B ? ? 1 +57662 C C2B . CLA GV . 0.4302 0.8957 1.0345 0.1565 -0.0116 -0.0041 510 CLA C C2B ? ? 1 +57663 C C3B . CLA GV . 0.4358 0.8969 1.0371 0.1605 -0.0159 -0.0015 510 CLA C C3B ? ? 1 +57664 C C4B . CLA GV . 0.4272 0.9067 1.0418 0.1659 -0.0175 -0.0026 510 CLA C C4B ? ? 1 +57665 C CMB . CLA GV . 0.4364 0.8895 1.0316 0.1507 -0.0086 -0.0047 510 CLA C CMB ? ? 1 +57666 C CAB . CLA GV . 0.4508 0.8930 1.0385 0.1603 -0.0182 0.0014 510 CLA C CAB ? ? 1 +57667 C CBB . CLA GV . 0.4635 0.8880 1.0389 0.1580 -0.0165 0.0015 510 CLA C CBB ? ? 1 +57668 N NC . CLA GV . 0.4067 0.9247 1.0494 0.1756 -0.0217 -0.0049 510 CLA C NC ? ? 1 +57669 C C1C . CLA GV . 0.4188 0.9188 1.0479 0.1758 -0.0241 -0.0020 510 CLA C C1C ? ? 1 +57670 C C2C . CLA GV . 0.4226 0.9215 1.0502 0.1805 -0.0292 0.0002 510 CLA C C2C ? ? 1 +57671 C C3C . CLA GV . 0.4112 0.9312 1.0543 0.1843 -0.0305 -0.0020 510 CLA C C3C ? ? 1 +57672 C C4C . CLA GV . 0.4041 0.9337 1.0552 0.1812 -0.0255 -0.0050 510 CLA C C4C ? ? 1 +57673 C CMC . CLA GV . 0.4347 0.9154 1.0482 0.1813 -0.0323 0.0038 510 CLA C CMC ? ? 1 +57674 C CAC . CLA GV . 0.4105 0.9392 1.0592 0.1903 -0.0356 -0.0014 510 CLA C CAC ? ? 1 +57675 C CBC . CLA GV . 0.3996 0.9330 1.0506 0.1829 -0.0380 0.0014 510 CLA C CBC ? ? 1 +57676 N ND . CLA GV . 0.3859 0.9387 1.0549 0.1733 -0.0157 -0.0105 510 CLA C ND ? ? 1 +57677 C C1D . CLA GV . 0.3828 0.9458 1.0594 0.1781 -0.0203 -0.0101 510 CLA C C1D ? ? 1 +57678 C C2D . CLA GV . 0.3690 0.9541 1.0626 0.1787 -0.0188 -0.0131 510 CLA C C2D ? ? 1 +57679 C C3D . CLA GV . 0.3647 0.9507 1.0590 0.1725 -0.0131 -0.0144 510 CLA C C3D ? ? 1 +57680 C C4D . CLA GV . 0.3734 0.9410 1.0534 0.1688 -0.0121 -0.0125 510 CLA C C4D ? ? 1 +57681 C CMD . CLA GV . 0.3623 0.9655 1.0699 0.1834 -0.0219 -0.0146 510 CLA C CMD ? ? 1 +57682 C CAD . CLA GV . 0.3556 0.9551 1.0601 0.1683 -0.0080 -0.0170 510 CLA C CAD ? ? 1 +57683 O OBD . CLA GV . 0.3450 0.9635 1.0644 0.1690 -0.0072 -0.0192 510 CLA C OBD ? ? 1 +57684 C CBD . CLA GV . 0.3595 0.9464 1.0538 0.1626 -0.0039 -0.0166 510 CLA C CBD ? ? 1 +57685 C CGD . CLA GV . 0.3446 0.9365 1.0417 0.1522 -0.0026 -0.0152 510 CLA C CGD ? ? 1 +57686 O O1D . CLA GV . 0.3349 0.9367 1.0390 0.1479 0.0013 -0.0168 510 CLA C O1D ? ? 1 +57687 O O2D . CLA GV . 0.3442 0.9278 1.0346 0.1471 -0.0064 -0.0116 510 CLA C O2D ? ? 1 +57688 C CED . CLA GV . 0.3329 0.9247 1.0287 0.1384 -0.0062 -0.0103 510 CLA C CED ? ? 1 +57689 C C1 . CLA GV . 0.4017 0.9754 1.0801 0.1378 0.0190 -0.0217 510 CLA C C1 ? ? 1 +57690 C C2 . CLA GV . 0.4038 0.9951 1.0963 0.1430 0.0212 -0.0243 510 CLA C C2 ? ? 1 +57691 C C3 . CLA GV . 0.4197 1.0129 1.1133 0.1474 0.0261 -0.0274 510 CLA C C3 ? ? 1 +57692 C C4 . CLA GV . 0.4329 1.0104 1.1131 0.1474 0.0291 -0.0283 510 CLA C C4 ? ? 1 +57693 C C5 . CLA GV . 0.4234 1.0347 1.1318 0.1523 0.0288 -0.0303 510 CLA C C5 ? ? 1 +57694 C C6 . CLA GV . 0.4406 1.0499 1.1491 0.1630 0.0277 -0.0322 510 CLA C C6 ? ? 1 +57695 C C7 . CLA GV . 0.4442 1.0596 1.1592 0.1667 0.0217 -0.0309 510 CLA C C7 ? ? 1 +57696 C C8 . CLA GV . 0.4629 1.0689 1.1718 0.1767 0.0202 -0.0320 510 CLA C C8 ? ? 1 +57697 C C9 . CLA GV . 0.4729 1.0906 1.1918 0.1855 0.0232 -0.0360 510 CLA C C9 ? ? 1 +57698 C C10 . CLA GV . 0.4808 1.0673 1.1748 0.1775 0.0155 -0.0291 510 CLA C C10 ? ? 1 +57699 C C11 . CLA GV . 0.4968 1.0806 1.1903 0.1871 0.0110 -0.0290 510 CLA C C11 ? ? 1 +57700 C C12 . CLA GV . 0.4944 1.0864 1.1946 0.1863 0.0054 -0.0268 510 CLA C C12 ? ? 1 +57701 C C13 . CLA GV . 0.5121 1.0920 1.2038 0.1937 0.0003 -0.0253 510 CLA C C13 ? ? 1 +57702 C C14 . CLA GV . 0.5196 1.0784 1.1947 0.1889 -0.0013 -0.0220 510 CLA C C14 ? ? 1 +57703 C C15 . CLA GV . 0.5127 1.1042 1.2136 0.1967 -0.0050 -0.0245 510 CLA C C15 ? ? 1 +57704 C C16 . CLA GV . 0.5348 1.1151 1.2277 0.2066 -0.0092 -0.0239 510 CLA C C16 ? ? 1 +57705 C C17 . CLA GV . 0.5368 1.1305 1.2403 0.2133 -0.0140 -0.0245 510 CLA C C17 ? ? 1 +57706 C C18 . CLA GV . 0.5538 1.1331 1.2462 0.2213 -0.0192 -0.0227 510 CLA C C18 ? ? 1 +57707 C C19 . CLA GV . 0.5687 1.1226 1.2415 0.2201 -0.0195 -0.0198 510 CLA C C19 ? ? 1 +57708 C C20 . CLA GV . 0.5566 1.1470 1.2579 0.2320 -0.0234 -0.0246 510 CLA C C20 ? ? 1 +57709 C C1 . GOL GW . 0.4254 1.0275 1.0575 -0.0215 -0.0526 0.0164 412 GOL D C1 ? ? 1 +57710 O O1 . GOL GW . 0.4285 1.0353 1.0660 -0.0218 -0.0515 0.0183 412 GOL D O1 ? ? 1 +57711 C C2 . GOL GW . 0.4055 1.0109 1.0442 -0.0237 -0.0542 0.0148 412 GOL D C2 ? ? 1 +57712 O O2 . GOL GW . 0.3875 0.9940 1.0305 -0.0253 -0.0502 0.0159 412 GOL D O2 ? ? 1 +57713 C C3 . GOL GW . 0.3910 1.0034 1.0379 -0.0248 -0.0577 0.0142 412 GOL D C3 ? ? 1 +57714 O O3 . GOL GW . 0.3560 0.9726 1.0113 -0.0275 -0.0565 0.0142 412 GOL D O3 ? ? 1 +57715 FE FE A FE2 GX . 0.3830 0.8716 0.7877 0.0205 -0.0669 0.0069 401 FE2 a FE ? ? 1 +57716 FE FE B FE2 GX . 0.3880 0.8770 0.7931 0.0205 -0.0670 0.0070 401 FE2 a FE ? ? 1 +57717 MG MG . CLA GY . 0.2120 1.0948 1.1064 -0.0958 -0.1789 -0.1183 609 CLA b MG ? ? 1 +57718 C CHA . CLA GY . 0.2359 1.1076 1.1037 -0.0844 -0.2007 -0.1231 609 CLA b CHA ? ? 1 +57719 C CHB . CLA GY . 0.2101 1.0552 1.0629 -0.0846 -0.1697 -0.1008 609 CLA b CHB ? ? 1 +57720 C CHC . CLA GY . 0.1974 1.0749 1.1044 -0.1132 -0.1539 -0.1135 609 CLA b CHC ? ? 1 +57721 C CHD . CLA GY . 0.2203 1.1298 1.1492 -0.1153 -0.1855 -0.1377 609 CLA b CHD ? ? 1 +57722 N NA . CLA GY . 0.2207 1.0835 1.0873 -0.0864 -0.1836 -0.1127 609 CLA b NA ? ? 1 +57723 C C1A . CLA GY . 0.2301 1.0913 1.0890 -0.0819 -0.1924 -0.1151 609 CLA b C1A ? ? 1 +57724 C C2A . CLA GY . 0.2344 1.0842 1.0758 -0.0726 -0.1944 -0.1094 609 CLA b C2A ? ? 1 +57725 C C3A . CLA GY . 0.2235 1.0669 1.0624 -0.0728 -0.1847 -0.1027 609 CLA b C3A ? ? 1 +57726 C C4A . CLA GY . 0.2174 1.0681 1.0710 -0.0820 -0.1788 -0.1055 609 CLA b C4A ? ? 1 +57727 C CMA . CLA GY . 0.2168 1.0660 1.0585 -0.0650 -0.1852 -0.0992 609 CLA b CMA ? ? 1 +57728 C CAA . CLA GY . 0.2489 1.0841 1.0721 -0.0715 -0.1977 -0.1090 609 CLA b CAA ? ? 1 +57729 C CBA . CLA GY . 0.2535 1.0775 1.0714 -0.0792 -0.1903 -0.1077 609 CLA b CBA ? ? 1 +57730 C CGA . CLA GY . 0.2694 1.0798 1.0709 -0.0790 -0.1932 -0.1081 609 CLA b CGA ? ? 1 +57731 O O1A . CLA GY . 0.2769 1.0862 1.0711 -0.0742 -0.2012 -0.1102 609 CLA b O1A ? ? 1 +57732 O O2A . CLA GY . 0.2813 1.0794 1.0757 -0.0849 -0.1859 -0.1059 609 CLA b O2A ? ? 1 +57733 N NB . CLA GY . 0.2049 1.0697 1.0872 -0.0984 -0.1649 -0.1091 609 CLA b NB ? ? 1 +57734 C C1B . CLA GY . 0.2037 1.0553 1.0701 -0.0927 -0.1628 -0.1024 609 CLA b C1B ? ? 1 +57735 C C2B . CLA GY . 0.1981 1.0398 1.0593 -0.0952 -0.1530 -0.0967 609 CLA b C2B ? ? 1 +57736 C C3B . CLA GY . 0.1953 1.0459 1.0717 -0.1035 -0.1483 -0.1003 609 CLA b C3B ? ? 1 +57737 C C4B . CLA GY . 0.1987 1.0636 1.0878 -0.1049 -0.1559 -0.1077 609 CLA b C4B ? ? 1 +57738 C CMB . CLA GY . 0.1955 1.0223 1.0404 -0.0905 -0.1489 -0.0894 609 CLA b CMB ? ? 1 +57739 C CAB . CLA GY . 0.1916 1.0362 1.0682 -0.1082 -0.1381 -0.0964 609 CLA b CAB ? ? 1 +57740 C CBB . CLA GY . 0.1899 1.0429 1.0803 -0.1148 -0.1331 -0.0988 609 CLA b CBB ? ? 1 +57741 N NC . CLA GY . 0.2091 1.1001 1.1221 -0.1107 -0.1713 -0.1240 609 CLA b NC ? ? 1 +57742 C C1C . CLA GY . 0.2028 1.0917 1.1202 -0.1163 -0.1614 -0.1213 609 CLA b C1C ? ? 1 +57743 C C2C . CLA GY . 0.2033 1.1000 1.1352 -0.1268 -0.1578 -0.1268 609 CLA b C2C ? ? 1 +57744 C C3C . CLA GY . 0.2103 1.1167 1.1490 -0.1275 -0.1671 -0.1340 609 CLA b C3C ? ? 1 +57745 C C4C . CLA GY . 0.2122 1.1148 1.1391 -0.1171 -0.1748 -0.1316 609 CLA b C4C ? ? 1 +57746 C CMC . CLA GY . 0.1988 1.0942 1.1372 -0.1350 -0.1473 -0.1256 609 CLA b CMC ? ? 1 +57747 C CAC . CLA GY . 0.2152 1.1334 1.1700 -0.1366 -0.1684 -0.1419 609 CLA b CAC ? ? 1 +57748 C CBC . CLA GY . 0.2096 1.1490 1.1839 -0.1338 -0.1716 -0.1456 609 CLA b CBC ? ? 1 +57749 N ND . CLA GY . 0.2243 1.1105 1.1200 -0.1002 -0.1892 -0.1275 609 CLA b ND ? ? 1 +57750 C C1D . CLA GY . 0.2258 1.1277 1.1395 -0.1064 -0.1929 -0.1357 609 CLA b C1D ? ? 1 +57751 C C2D . CLA GY . 0.2350 1.1420 1.1480 -0.1034 -0.2044 -0.1414 609 CLA b C2D ? ? 1 +57752 C C3D . CLA GY . 0.2384 1.1326 1.1321 -0.0940 -0.2072 -0.1358 609 CLA b C3D ? ? 1 +57753 C C4D . CLA GY . 0.2315 1.1166 1.1185 -0.0927 -0.1987 -0.1286 609 CLA b C4D ? ? 1 +57754 C CMD . CLA GY . 0.2421 1.1628 1.1682 -0.1073 -0.2124 -0.1504 609 CLA b CMD ? ? 1 +57755 C CAD . CLA GY . 0.2478 1.1357 1.1270 -0.0855 -0.2160 -0.1353 609 CLA b CAD ? ? 1 +57756 O OBD . CLA GY . 0.2570 1.1509 1.1374 -0.0835 -0.2259 -0.1409 609 CLA b OBD ? ? 1 +57757 C CBD . CLA GY . 0.2456 1.1196 1.1084 -0.0788 -0.2118 -0.1269 609 CLA b CBD ? ? 1 +57758 C CGD . CLA GY . 0.2434 1.1256 1.1092 -0.0695 -0.2161 -0.1253 609 CLA b CGD ? ? 1 +57759 O O1D . CLA GY . 0.2475 1.1211 1.0990 -0.0613 -0.2188 -0.1210 609 CLA b O1D ? ? 1 +57760 O O2D . CLA GY . 0.2367 1.1375 1.1233 -0.0705 -0.2164 -0.1287 609 CLA b O2D ? ? 1 +57761 C CED . CLA GY . 0.2349 1.1455 1.1263 -0.0618 -0.2218 -0.1286 609 CLA b CED ? ? 1 +57762 C C1 . CLA GY . 0.3007 1.0843 1.0783 -0.0844 -0.1873 -0.1055 609 CLA b C1 ? ? 1 +57763 C C2 . CLA GY . 0.3048 1.0755 1.0747 -0.0881 -0.1779 -0.1007 609 CLA b C2 ? ? 1 +57764 C C3 . CLA GY . 0.3187 1.0760 1.0724 -0.0830 -0.1753 -0.0950 609 CLA b C3 ? ? 1 +57765 C C4 . CLA GY . 0.3231 1.0773 1.0655 -0.0740 -0.1812 -0.0931 609 CLA b C4 ? ? 1 +57766 C C5 . CLA GY . 0.3295 1.0742 1.0754 -0.0860 -0.1662 -0.0902 609 CLA b C5 ? ? 1 +57767 C C6 . CLA GY . 0.3420 1.0867 1.0956 -0.0955 -0.1614 -0.0932 609 CLA b C6 ? ? 1 +57768 C C7 . CLA GY . 0.3577 1.0878 1.1000 -0.0965 -0.1534 -0.0879 609 CLA b C7 ? ? 1 +57769 C C8 . CLA GY . 0.3810 1.1031 1.1217 -0.1045 -0.1489 -0.0898 609 CLA b C8 ? ? 1 +57770 C C9 . CLA GY . 0.3847 1.1119 1.1338 -0.1120 -0.1523 -0.0971 609 CLA b C9 ? ? 1 +57771 C C10 . CLA GY . 0.3993 1.1089 1.1308 -0.1043 -0.1404 -0.0838 609 CLA b C10 ? ? 1 +57772 C C11 . CLA GY . 0.4199 1.1235 1.1532 -0.1123 -0.1340 -0.0846 609 CLA b C11 ? ? 1 +57773 C C12 . CLA GY . 0.4384 1.1262 1.1567 -0.1102 -0.1284 -0.0793 609 CLA b C12 ? ? 1 +57774 C C13 . CLA GY . 0.4660 1.1445 1.1820 -0.1174 -0.1231 -0.0805 609 CLA b C13 ? ? 1 +57775 C C14 . CLA GY . 0.4704 1.1336 1.1713 -0.1144 -0.1181 -0.0754 609 CLA b C14 ? ? 1 +57776 C C15 . CLA GY . 0.4814 1.1670 1.2111 -0.1237 -0.1179 -0.0810 609 CLA b C15 ? ? 1 +57777 C C16 . CLA GY . 0.5159 1.1942 1.2451 -0.1321 -0.1148 -0.0844 609 CLA b C16 ? ? 1 +57778 C C17 . CLA GY . 0.5310 1.2172 1.2742 -0.1383 -0.1099 -0.0852 609 CLA b C17 ? ? 1 +57779 C C18 . CLA GY . 0.5561 1.2334 1.2983 -0.1464 -0.1038 -0.0864 609 CLA b C18 ? ? 1 +57780 C C19 . CLA GY . 0.5732 1.2322 1.2994 -0.1464 -0.1000 -0.0838 609 CLA b C19 ? ? 1 +57781 C C20 . CLA GY . 0.5516 1.2399 1.3100 -0.1545 -0.1025 -0.0910 609 CLA b C20 ? ? 1 +57782 MG MG . CLA GZ . 0.4382 0.9506 0.8781 0.0617 0.0950 0.0178 506 CLA c MG ? ? 1 +57783 C CHA . CLA GZ . 0.4561 0.9625 0.8797 0.0602 0.1112 0.0223 506 CLA c CHA ? ? 1 +57784 C CHB . CLA GZ . 0.4185 0.9392 0.8714 0.0505 0.0843 0.0232 506 CLA c CHB ? ? 1 +57785 C CHC . CLA GZ . 0.4156 0.9433 0.8836 0.0625 0.0843 0.0151 506 CLA c CHC ? ? 1 +57786 C CHD . CLA GZ . 0.4533 0.9713 0.8967 0.0736 0.1118 0.0133 506 CLA c CHD ? ? 1 +57787 N NA . CLA GZ . 0.4393 0.9522 0.8773 0.0565 0.0966 0.0218 506 CLA c NA ? ? 1 +57788 C C1A . CLA GZ . 0.4500 0.9585 0.8793 0.0566 0.1025 0.0232 506 CLA c C1A ? ? 1 +57789 C C2A . CLA GZ . 0.4565 0.9597 0.8785 0.0531 0.0993 0.0255 506 CLA c C2A ? ? 1 +57790 C C3A . CLA GZ . 0.4417 0.9489 0.8723 0.0504 0.0903 0.0255 506 CLA c C3A ? ? 1 +57791 C C4A . CLA GZ . 0.4325 0.9471 0.8744 0.0525 0.0904 0.0234 506 CLA c C4A ? ? 1 +57792 C CMA . CLA GZ . 0.4472 0.9437 0.8650 0.0504 0.0824 0.0244 506 CLA c CMA ? ? 1 +57793 C CAA . CLA GZ . 0.4639 0.9712 0.8894 0.0505 0.1056 0.0285 506 CLA c CAA ? ? 1 +57794 C CBA . CLA GZ . 0.4563 0.9782 0.9019 0.0478 0.1073 0.0295 506 CLA c CBA ? ? 1 +57795 C CGA . CLA GZ . 0.4668 0.9967 0.9219 0.0506 0.1133 0.0277 506 CLA c CGA ? ? 1 +57796 O O1A . CLA GZ . 0.4725 1.0013 0.9235 0.0527 0.1213 0.0275 506 CLA c O1A ? ? 1 +57797 O O2A . CLA GZ . 0.4774 1.0164 0.9466 0.0512 0.1092 0.0262 506 CLA c O2A ? ? 1 +57798 N NB . CLA GZ . 0.4177 0.9410 0.8759 0.0571 0.0863 0.0189 506 CLA c NB ? ? 1 +57799 C C1B . CLA GZ . 0.4114 0.9365 0.8724 0.0527 0.0822 0.0211 506 CLA c C1B ? ? 1 +57800 C C2B . CLA GZ . 0.3972 0.9293 0.8705 0.0500 0.0761 0.0214 506 CLA c C2B ? ? 1 +57801 C C3B . CLA GZ . 0.3980 0.9321 0.8758 0.0534 0.0761 0.0191 506 CLA c C3B ? ? 1 +57802 C C4B . CLA GZ . 0.4101 0.9380 0.8775 0.0577 0.0821 0.0176 506 CLA c C4B ? ? 1 +57803 C CMB . CLA GZ . 0.3887 0.9243 0.8677 0.0454 0.0712 0.0234 506 CLA c CMB ? ? 1 +57804 C CAB . CLA GZ . 0.3902 0.9305 0.8795 0.0523 0.0706 0.0187 506 CLA c CAB ? ? 1 +57805 C CBB . CLA GZ . 0.3925 0.9341 0.8857 0.0553 0.0699 0.0168 506 CLA c CBB ? ? 1 +57806 N NC . CLA GZ . 0.4345 0.9559 0.8877 0.0667 0.0975 0.0150 506 CLA c NC ? ? 1 +57807 C C1C . CLA GZ . 0.4262 0.9517 0.8884 0.0667 0.0920 0.0140 506 CLA c C1C ? ? 1 +57808 C C2C . CLA GZ . 0.4261 0.9555 0.8941 0.0714 0.0945 0.0118 506 CLA c C2C ? ? 1 +57809 C C3C . CLA GZ . 0.4389 0.9661 0.9003 0.0748 0.1027 0.0112 506 CLA c C3C ? ? 1 +57810 C C4C . CLA GZ . 0.4416 0.9631 0.8934 0.0715 0.1036 0.0132 506 CLA c C4C ? ? 1 +57811 C CMC . CLA GZ . 0.4177 0.9518 0.8955 0.0727 0.0899 0.0106 506 CLA c CMC ? ? 1 +57812 C CAC . CLA GZ . 0.4472 0.9758 0.9093 0.0807 0.1084 0.0089 506 CLA c CAC ? ? 1 +57813 C CBC . CLA GZ . 0.4444 0.9861 0.9202 0.0819 0.1157 0.0092 506 CLA c CBC ? ? 1 +57814 N ND . CLA GZ . 0.4472 0.9627 0.8861 0.0652 0.1086 0.0180 506 CLA c ND ? ? 1 +57815 C C1D . CLA GZ . 0.4559 0.9701 0.8918 0.0704 0.1142 0.0156 506 CLA c C1D ? ? 1 +57816 C C2D . CLA GZ . 0.4674 0.9776 0.8941 0.0720 0.1229 0.0161 506 CLA c C2D ? ? 1 +57817 C C3D . CLA GZ . 0.4670 0.9734 0.8882 0.0675 0.1212 0.0189 506 CLA c C3D ? ? 1 +57818 C C4D . CLA GZ . 0.4558 0.9648 0.8833 0.0643 0.1129 0.0196 506 CLA c C4D ? ? 1 +57819 C CMD . CLA GZ . 0.4787 0.9874 0.9007 0.0767 0.1315 0.0145 506 CLA c CMD ? ? 1 +57820 C CAD . CLA GZ . 0.4744 0.9749 0.8853 0.0655 0.1254 0.0213 506 CLA c CAD ? ? 1 +57821 O OBD . CLA GZ . 0.4851 0.9810 0.8869 0.0673 0.1333 0.0215 506 CLA c OBD ? ? 1 +57822 C CBD . CLA GZ . 0.4670 0.9666 0.8784 0.0609 0.1187 0.0235 506 CLA c CBD ? ? 1 +57823 C CGD . CLA GZ . 0.4774 0.9621 0.8686 0.0616 0.1151 0.0235 506 CLA c CGD ? ? 1 +57824 O O1D . CLA GZ . 0.4811 0.9610 0.8651 0.0593 0.1152 0.0257 506 CLA c O1D ? ? 1 +57825 O O2D . CLA GZ . 0.4833 0.9578 0.8619 0.0651 0.1116 0.0207 506 CLA c O2D ? ? 1 +57826 C CED . CLA GZ . 0.4986 0.9593 0.8574 0.0661 0.1105 0.0207 506 CLA c CED ? ? 1 +57827 C C1 . CLA GZ . 0.4941 1.0418 0.9735 0.0540 0.1143 0.0245 506 CLA c C1 ? ? 1 +57828 C C2 . CLA GZ . 0.4969 1.0527 0.9897 0.0539 0.1082 0.0235 506 CLA c C2 ? ? 1 +57829 C C3 . CLA GZ . 0.5247 1.0815 1.0197 0.0580 0.1073 0.0209 506 CLA c C3 ? ? 1 +57830 C C4 . CLA GZ . 0.5378 1.0880 1.0224 0.0630 0.1123 0.0189 506 CLA c C4 ? ? 1 +57831 C C5 . CLA GZ . 0.5403 1.1045 1.0479 0.0580 0.1015 0.0200 506 CLA c C5 ? ? 1 +57832 C C6 . CLA GZ . 0.5591 1.1247 1.0710 0.0532 0.0946 0.0218 506 CLA c C6 ? ? 1 +57833 C C7 . CLA GZ . 0.5811 1.1512 1.1020 0.0539 0.0885 0.0206 506 CLA c C7 ? ? 1 +57834 C C8 . CLA GZ . 0.5978 1.1772 1.1324 0.0500 0.0845 0.0221 506 CLA c C8 ? ? 1 +57835 C C9 . CLA GZ . 0.6100 1.1896 1.1486 0.0494 0.0767 0.0214 506 CLA c C9 ? ? 1 +57836 C C10 . CLA GZ . 0.6143 1.2024 1.1583 0.0463 0.0883 0.0242 506 CLA c C10 ? ? 1 +57837 C C11 . CLA GZ . 0.6370 1.2364 1.1945 0.0490 0.0921 0.0228 506 CLA c C11 ? ? 1 +57838 C C12 . CLA GZ . 0.6487 1.2597 1.2193 0.0459 0.0964 0.0241 506 CLA c C12 ? ? 1 +57839 C C13 . CLA GZ . 0.6651 1.2866 1.2473 0.0494 0.1011 0.0222 506 CLA c C13 ? ? 1 +57840 C C14 . CLA GZ . 0.6729 1.2989 1.2573 0.0485 0.1101 0.0228 506 CLA c C14 ? ? 1 +57841 C C15 . CLA GZ . 0.6764 1.3091 1.2744 0.0482 0.0970 0.0220 506 CLA c C15 ? ? 1 +57842 C C16 . CLA GZ . 0.6883 1.3277 1.2944 0.0533 0.0972 0.0195 506 CLA c C16 ? ? 1 +57843 C C17 . CLA GZ . 0.6757 1.3239 1.2950 0.0520 0.0916 0.0195 506 CLA c C17 ? ? 1 +57844 C C18 . CLA GZ . 0.6652 1.3264 1.2992 0.0553 0.0936 0.0175 506 CLA c C18 ? ? 1 +57845 C C19 . CLA GZ . 0.7018 1.3686 1.3393 0.0590 0.1014 0.0158 506 CLA c C19 ? ? 1 +57846 C C20 . CLA GZ . 0.6484 1.3167 1.2934 0.0550 0.0874 0.0172 506 CLA c C20 ? ? 1 +57847 MG MG . CLA HA . 0.3692 0.9242 0.9964 -0.1609 -0.1205 -0.1118 404 CLA d MG ? ? 1 +57848 C CHA . CLA HA . 0.3644 0.9137 1.0055 -0.1752 -0.1026 -0.1079 404 CLA d CHA ? ? 1 +57849 C CHB . CLA HA . 0.3361 0.9254 0.9890 -0.1518 -0.1213 -0.1044 404 CLA d CHB ? ? 1 +57850 C CHC . CLA HA . 0.3786 0.9468 1.0012 -0.1530 -0.1421 -0.1214 404 CLA d CHC ? ? 1 +57851 C CHD . CLA HA . 0.4083 0.9319 1.0159 -0.1754 -0.1220 -0.1239 404 CLA d CHD ? ? 1 +57852 N NA . CLA HA . 0.3541 0.9226 0.9994 -0.1635 -0.1137 -0.1075 404 CLA d NA ? ? 1 +57853 C C1A . CLA HA . 0.3549 0.9194 1.0036 -0.1689 -0.1067 -0.1060 404 CLA d C1A ? ? 1 +57854 C C2A . CLA HA . 0.3447 0.9197 1.0043 -0.1675 -0.1025 -0.1016 404 CLA d C2A ? ? 1 +57855 C C3A . CLA HA . 0.3335 0.9182 0.9937 -0.1590 -0.1078 -0.0996 404 CLA d C3A ? ? 1 +57856 C C4A . CLA HA . 0.3420 0.9231 0.9946 -0.1581 -0.1149 -0.1042 404 CLA d C4A ? ? 1 +57857 C CMA . CLA HA . 0.3269 0.9054 0.9774 -0.1506 -0.1041 -0.0923 404 CLA d CMA ? ? 1 +57858 C CAA . CLA HA . 0.3492 0.9363 1.0259 -0.1757 -0.1015 -0.1053 404 CLA d CAA ? ? 1 +57859 C CBA . CLA HA . 0.3585 0.9592 1.0456 -0.1781 -0.1098 -0.1119 404 CLA d CBA ? ? 1 +57860 C CGA . CLA HA . 0.3665 0.9805 1.0717 -0.1859 -0.1088 -0.1156 404 CLA d CGA ? ? 1 +57861 O O1A . CLA HA . 0.3615 0.9767 1.0729 -0.1893 -0.1020 -0.1131 404 CLA d O1A ? ? 1 +57862 O O2A . CLA HA . 0.3940 1.0202 1.1098 -0.1897 -0.1162 -0.1227 404 CLA d O2A ? ? 1 +57863 N NB . CLA HA . 0.3582 0.9340 0.9952 -0.1541 -0.1301 -0.1130 404 CLA d NB ? ? 1 +57864 C C1B . CLA HA . 0.3443 0.9320 0.9903 -0.1501 -0.1291 -0.1089 404 CLA d C1B ? ? 1 +57865 C C2B . CLA HA . 0.3385 0.9384 0.9885 -0.1444 -0.1363 -0.1098 404 CLA d C2B ? ? 1 +57866 C C3B . CLA HA . 0.3520 0.9457 0.9930 -0.1448 -0.1426 -0.1148 404 CLA d C3B ? ? 1 +57867 C C4B . CLA HA . 0.3628 0.9417 0.9960 -0.1506 -0.1382 -0.1164 404 CLA d C4B ? ? 1 +57868 C CMB . CLA HA . 0.3240 0.9379 0.9838 -0.1395 -0.1371 -0.1064 404 CLA d CMB ? ? 1 +57869 C CAB . CLA HA . 0.3537 0.9553 0.9941 -0.1395 -0.1514 -0.1173 404 CLA d CAB ? ? 1 +57870 C CBB . CLA HA . 0.3669 0.9631 0.9984 -0.1391 -0.1576 -0.1218 404 CLA d CBB ? ? 1 +57871 N NC . CLA HA . 0.3876 0.9369 1.0068 -0.1640 -0.1299 -0.1207 404 CLA d NC ? ? 1 +57872 C C1C . CLA HA . 0.3903 0.9449 1.0071 -0.1597 -0.1380 -0.1236 404 CLA d C1C ? ? 1 +57873 C C2C . CLA HA . 0.4080 0.9543 1.0162 -0.1626 -0.1432 -0.1296 404 CLA d C2C ? ? 1 +57874 C C3C . CLA HA . 0.4156 0.9485 1.0194 -0.1693 -0.1371 -0.1304 404 CLA d C3C ? ? 1 +57875 C C4C . CLA HA . 0.4027 0.9382 1.0129 -0.1691 -0.1294 -0.1245 404 CLA d C4C ? ? 1 +57876 C CMC . CLA HA . 0.4176 0.9671 1.0215 -0.1594 -0.1527 -0.1342 404 CLA d CMC ? ? 1 +57877 C CAC . CLA HA . 0.4336 0.9527 1.0279 -0.1749 -0.1384 -0.1358 404 CLA d CAC ? ? 1 +57878 C CBC . CLA HA . 0.4380 0.9662 1.0458 -0.1845 -0.1423 -0.1432 404 CLA d CBC ? ? 1 +57879 N ND . CLA HA . 0.3814 0.9248 1.0097 -0.1736 -0.1150 -0.1162 404 CLA d ND ? ? 1 +57880 C C1D . CLA HA . 0.3976 0.9243 1.0130 -0.1770 -0.1147 -0.1193 404 CLA d C1D ? ? 1 +57881 C C2D . CLA HA . 0.4030 0.9182 1.0164 -0.1833 -0.1069 -0.1183 404 CLA d C2D ? ? 1 +57882 C C3D . CLA HA . 0.3883 0.9135 1.0123 -0.1820 -0.1022 -0.1134 404 CLA d C3D ? ? 1 +57883 C C4D . CLA HA . 0.3774 0.9165 1.0076 -0.1761 -0.1068 -0.1122 404 CLA d C4D ? ? 1 +57884 C CMD . CLA HA . 0.4188 0.9165 1.0223 -0.1893 -0.1033 -0.1207 404 CLA d CMD ? ? 1 +57885 C CAD . CLA HA . 0.3822 0.9065 1.0112 -0.1848 -0.0941 -0.1093 404 CLA d CAD ? ? 1 +57886 O OBD . CLA HA . 0.3904 0.9019 1.0144 -0.1898 -0.0879 -0.1087 404 CLA d OBD ? ? 1 +57887 C CBD . CLA HA . 0.3656 0.9051 1.0051 -0.1799 -0.0941 -0.1053 404 CLA d CBD ? ? 1 +57888 C CGD . CLA HA . 0.3602 0.8910 0.9892 -0.1723 -0.0891 -0.0980 404 CLA d CGD ? ? 1 +57889 O O1D . CLA HA . 0.3582 0.8863 0.9781 -0.1643 -0.0914 -0.0953 404 CLA d O1D ? ? 1 +57890 O O2D . CLA HA . 0.3574 0.8823 0.9866 -0.1745 -0.0811 -0.0940 404 CLA d O2D ? ? 1 +57891 C CED . CLA HA . 0.3553 0.8703 0.9731 -0.1676 -0.0769 -0.0878 404 CLA d CED ? ? 1 +57892 C C1 . CLA HA . 0.4070 1.0506 1.1419 -0.1941 -0.1166 -0.1256 404 CLA d C1 ? ? 1 +57893 C C2 . CLA HA . 0.4331 1.0880 1.1755 -0.1953 -0.1259 -0.1326 404 CLA d C2 ? ? 1 +57894 C C3 . CLA HA . 0.4608 1.1304 1.2107 -0.1894 -0.1322 -0.1330 404 CLA d C3 ? ? 1 +57895 C C4 . CLA HA . 0.4477 1.1227 1.1986 -0.1814 -0.1299 -0.1263 404 CLA d C4 ? ? 1 +57896 C C5 . CLA HA . 0.5029 1.1826 1.2595 -0.1911 -0.1418 -0.1405 404 CLA d C5 ? ? 1 +57897 C C6 . CLA HA . 0.5282 1.2279 1.2989 -0.1867 -0.1477 -0.1418 404 CLA d C6 ? ? 1 +57898 C C7 . CLA HA . 0.5846 1.2998 1.3757 -0.1953 -0.1481 -0.1480 404 CLA d C7 ? ? 1 +57899 C C8 . CLA HA . 0.6345 1.3675 1.4383 -0.1946 -0.1581 -0.1546 404 CLA d C8 ? ? 1 +57900 C C9 . CLA HA . 0.6549 1.3870 1.4491 -0.1874 -0.1683 -0.1566 404 CLA d C9 ? ? 1 +57901 C C10 . CLA HA . 0.6665 1.4189 1.4931 -0.1999 -0.1569 -0.1580 404 CLA d C10 ? ? 1 +57902 C C11 . CLA HA . 0.6963 1.4675 1.5349 -0.1932 -0.1631 -0.1586 404 CLA d C11 ? ? 1 +57903 C C12 . CLA HA . 0.7054 1.4958 1.5669 -0.2004 -0.1642 -0.1652 404 CLA d C12 ? ? 1 +57904 C C13 . CLA HA . 0.7230 1.5328 1.5973 -0.1938 -0.1711 -0.1666 404 CLA d C13 ? ? 1 +57905 C C14 . CLA HA . 0.7191 1.5261 1.5808 -0.1837 -0.1804 -0.1659 404 CLA d C14 ? ? 1 +57906 C C15 . CLA HA . 0.7709 1.5992 1.6664 -0.2012 -0.1750 -0.1753 404 CLA d C15 ? ? 1 +57907 C C16 . CLA HA . 0.8072 1.6407 1.7173 -0.2115 -0.1657 -0.1766 404 CLA d C16 ? ? 1 +57908 C C17 . CLA HA . 0.8544 1.7026 1.7822 -0.2200 -0.1706 -0.1864 404 CLA d C17 ? ? 1 +57909 C C18 . CLA HA . 0.8823 1.7447 1.8318 -0.2293 -0.1644 -0.1900 404 CLA d C18 ? ? 1 +57910 C C19 . CLA HA . 0.8442 1.7277 1.8122 -0.2255 -0.1647 -0.1900 404 CLA d C19 ? ? 1 +57911 C C20 . CLA HA . 0.9051 1.7572 1.8547 -0.2421 -0.1564 -0.1924 404 CLA d C20 ? ? 1 +57912 C C1 . GOL HB . 0.9724 1.3773 1.4682 -0.0238 0.0001 0.0333 302 GOL o C1 ? ? 1 +57913 O O1 . GOL HB . 0.9545 1.3598 1.4530 -0.0313 0.0026 0.0331 302 GOL o O1 ? ? 1 +57914 C C2 . GOL HB . 0.9859 1.3811 1.4715 -0.0173 -0.0002 0.0354 302 GOL o C2 ? ? 1 +57915 O O2 . GOL HB . 0.9678 1.3742 1.4600 -0.0128 -0.0028 0.0367 302 GOL o O2 ? ? 1 +57916 C C3 . GOL HB . 1.0017 1.3867 1.4780 -0.0114 -0.0011 0.0351 302 GOL o C3 ? ? 1 +57917 O O3 . GOL HB . 1.0089 1.3962 1.4839 -0.0030 -0.0037 0.0365 302 GOL o O3 ? ? 1 +57918 O O6 A SQD HC . 0.6165 0.9737 1.1381 0.0698 -0.0266 0.0486 410 SQD A O6 ? ? 1 +57919 O O6 B SQD HC . 0.6605 1.0175 1.1820 0.0696 -0.0265 0.0486 410 SQD A O6 ? ? 1 +57920 C C44 A SQD HC . 0.6302 1.0007 1.1603 0.0767 -0.0290 0.0463 410 SQD A C44 ? ? 1 +57921 C C44 B SQD HC . 0.6872 1.0577 1.2174 0.0763 -0.0289 0.0463 410 SQD A C44 ? ? 1 +57922 C C45 A SQD HC . 0.6285 1.0186 1.1727 0.0724 -0.0293 0.0446 410 SQD A C45 ? ? 1 +57923 C C45 B SQD HC . 0.6981 1.0881 1.2424 0.0719 -0.0292 0.0446 410 SQD A C45 ? ? 1 +57924 C C46 A SQD HC . 0.6323 1.0341 1.1849 0.0779 -0.0306 0.0415 410 SQD A C46 ? ? 1 +57925 C C46 B SQD HC . 0.7146 1.1160 1.2671 0.0774 -0.0304 0.0415 410 SQD A C46 ? ? 1 +57926 O O47 A SQD HC . 0.6353 1.0258 1.1823 0.0633 -0.0266 0.0436 410 SQD A O47 ? ? 1 +57927 O O47 B SQD HC . 0.7098 1.1001 1.2568 0.0629 -0.0265 0.0435 410 SQD A O47 ? ? 1 +57928 C C7 A SQD HC . 0.6456 1.0472 1.2003 0.0569 -0.0263 0.0441 410 SQD A C7 ? ? 1 +57929 C C7 B SQD HC . 0.7349 1.1314 1.2863 0.0556 -0.0257 0.0447 410 SQD A C7 ? ? 1 +57930 O O49 A SQD HC . 0.6338 1.0425 1.1915 0.0577 -0.0279 0.0457 410 SQD A O49 ? ? 1 +57931 O O49 B SQD HC . 0.7175 1.1162 1.2687 0.0551 -0.0265 0.0469 410 SQD A O49 ? ? 1 +57932 C C8 A SQD HC . 0.6535 1.0573 1.2123 0.0496 -0.0242 0.0420 410 SQD A C8 ? ? 1 +57933 C C8 B SQD HC . 0.7495 1.1505 1.3066 0.0489 -0.0238 0.0422 410 SQD A C8 ? ? 1 +57934 C C9 A SQD HC . 0.6593 1.0686 1.2226 0.0410 -0.0230 0.0429 410 SQD A C9 ? ? 1 +57935 C C9 B SQD HC . 0.7650 1.1723 1.3272 0.0402 -0.0227 0.0429 410 SQD A C9 ? ? 1 +57936 C C10 A SQD HC . 0.6779 1.0884 1.2446 0.0343 -0.0212 0.0406 410 SQD A C10 ? ? 1 +57937 C C10 B SQD HC . 0.7965 1.2049 1.3620 0.0339 -0.0210 0.0404 410 SQD A C10 ? ? 1 +57938 C C11 A SQD HC . 0.6819 1.1000 1.2540 0.0375 -0.0218 0.0375 410 SQD A C11 ? ? 1 +57939 C C11 B SQD HC . 0.7978 1.2146 1.3692 0.0371 -0.0216 0.0374 410 SQD A C11 ? ? 1 +57940 C C12 A SQD HC . 0.6742 1.1105 1.2575 0.0391 -0.0233 0.0368 410 SQD A C12 ? ? 1 +57941 C C12 B SQD HC . 0.7872 1.2221 1.3698 0.0386 -0.0231 0.0368 410 SQD A C12 ? ? 1 +57942 C C13 A SQD HC . 0.6757 1.1191 1.2638 0.0435 -0.0235 0.0340 410 SQD A C13 ? ? 1 +57943 C C13 B SQD HC . 0.7797 1.2227 1.3678 0.0422 -0.0233 0.0338 410 SQD A C13 ? ? 1 +57944 C C14 A SQD HC . 0.6583 1.1191 1.2579 0.0415 -0.0240 0.0328 410 SQD A C14 ? ? 1 +57945 C C14 B SQD HC . 0.7476 1.2086 1.3473 0.0414 -0.0241 0.0330 410 SQD A C14 ? ? 1 +57946 C C15 A SQD HC . 0.6397 1.1052 1.2429 0.0335 -0.0235 0.0337 410 SQD A C15 ? ? 1 +57947 C C15 B SQD HC . 0.7091 1.1763 1.3135 0.0333 -0.0235 0.0336 410 SQD A C15 ? ? 1 +57948 C C16 A SQD HC . 0.6332 1.0981 1.2374 0.0276 -0.0220 0.0318 410 SQD A C16 ? ? 1 +57949 C C16 B SQD HC . 0.6893 1.1540 1.2934 0.0277 -0.0220 0.0316 410 SQD A C16 ? ? 1 +57950 C C17 A SQD HC . 0.6280 1.1035 1.2390 0.0289 -0.0219 0.0292 410 SQD A C17 ? ? 1 +57951 C C17 B SQD HC . 0.6731 1.1477 1.2837 0.0287 -0.0217 0.0290 410 SQD A C17 ? ? 1 +57952 C C18 A SQD HC . 0.6087 1.0947 1.2269 0.0229 -0.0217 0.0286 410 SQD A C18 ? ? 1 +57953 C C18 B SQD HC . 0.6337 1.1195 1.2518 0.0228 -0.0216 0.0285 410 SQD A C18 ? ? 1 +57954 C C19 A SQD HC . 0.6109 1.0919 1.2267 0.0175 -0.0206 0.0269 410 SQD A C19 ? ? 1 +57955 C C19 B SQD HC . 0.6220 1.1032 1.2380 0.0169 -0.0206 0.0270 410 SQD A C19 ? ? 1 +57956 C C20 A SQD HC . 0.6006 1.0926 1.2235 0.0127 -0.0207 0.0260 410 SQD A C20 ? ? 1 +57957 C C20 B SQD HC . 0.5962 1.0889 1.2195 0.0127 -0.0207 0.0259 410 SQD A C20 ? ? 1 +57958 C C21 A SQD HC . 0.5867 1.0883 1.2157 0.0106 -0.0215 0.0279 410 SQD A C21 ? ? 1 +57959 C C21 B SQD HC . 0.5639 1.0657 1.1931 0.0099 -0.0214 0.0278 410 SQD A C21 ? ? 1 +57960 C C22 A SQD HC . 0.5747 1.0846 1.2092 0.0050 -0.0215 0.0271 410 SQD A C22 ? ? 1 +57961 C C22 B SQD HC . 0.5361 1.0459 1.1706 0.0045 -0.0214 0.0268 410 SQD A C22 ? ? 1 +57962 O O48 A SQD HC . 0.6488 1.0417 1.1973 0.0775 -0.0285 0.0395 410 SQD A O48 ? ? 1 +57963 O O48 B SQD HC . 0.7432 1.1356 1.2915 0.0767 -0.0283 0.0396 410 SQD A O48 ? ? 1 +57964 C C23 A SQD HC . 0.6465 1.0471 1.2021 0.0717 -0.0269 0.0374 410 SQD A C23 ? ? 1 +57965 C C23 B SQD HC . 0.7603 1.1620 1.3166 0.0727 -0.0270 0.0370 410 SQD A C23 ? ? 1 +57966 O O10 A SQD HC . 0.6255 1.0399 1.1905 0.0674 -0.0271 0.0371 410 SQD A O10 ? ? 1 +57967 O O10 B SQD HC . 0.7265 1.1437 1.2933 0.0701 -0.0275 0.0362 410 SQD A O10 ? ? 1 +57968 C C24 A SQD HC . 0.6687 1.0583 1.2185 0.0715 -0.0249 0.0353 410 SQD A C24 ? ? 1 +57969 C C24 B SQD HC . 0.8057 1.1952 1.3555 0.0717 -0.0249 0.0352 410 SQD A C24 ? ? 1 +57970 C C25 A SQD HC . 0.6718 1.0727 1.2304 0.0691 -0.0239 0.0322 410 SQD A C25 ? ? 1 +57971 C C25 B SQD HC . 0.8361 1.2361 1.3941 0.0696 -0.0238 0.0320 410 SQD A C25 ? ? 1 +57972 C C26 A SQD HC . 0.6978 1.0877 1.2507 0.0652 -0.0217 0.0304 410 SQD A C26 ? ? 1 +57973 C C26 B SQD HC . 0.8951 1.2838 1.4472 0.0656 -0.0216 0.0303 410 SQD A C26 ? ? 1 +57974 C C27 A SQD HC . 0.7028 1.1042 1.2641 0.0623 -0.0207 0.0274 410 SQD A C27 ? ? 1 +57975 C C27 B SQD HC . 0.9328 1.3330 1.4933 0.0625 -0.0206 0.0274 410 SQD A C27 ? ? 1 +57976 C C28 A SQD HC . 0.7213 1.1130 1.2774 0.0585 -0.0188 0.0253 410 SQD A C28 ? ? 1 +57977 C C28 B SQD HC . 0.9788 1.3694 1.5342 0.0585 -0.0188 0.0252 410 SQD A C28 ? ? 1 +57978 C C29 A SQD HC . 0.7226 1.1263 1.2869 0.0553 -0.0181 0.0226 410 SQD A C29 ? ? 1 +57979 C C29 B SQD HC . 1.0104 1.4131 1.5741 0.0551 -0.0180 0.0226 410 SQD A C29 ? ? 1 +57980 C C30 A SQD HC . 0.7424 1.1372 1.3015 0.0527 -0.0165 0.0200 410 SQD A C30 ? ? 1 +57981 C C30 B SQD HC . 1.0584 1.4525 1.6170 0.0525 -0.0165 0.0200 410 SQD A C30 ? ? 1 +57982 C C31 A SQD HC . 0.7405 1.1471 1.3069 0.0515 -0.0158 0.0173 410 SQD A C31 ? ? 1 +57983 C C31 B SQD HC . 1.0764 1.4822 1.6422 0.0515 -0.0158 0.0173 410 SQD A C31 ? ? 1 +57984 C C32 A SQD HC . 0.7474 1.1454 1.3083 0.0486 -0.0145 0.0146 410 SQD A C32 ? ? 1 +57985 C C32 B SQD HC . 1.0857 1.4828 1.6461 0.0486 -0.0145 0.0146 410 SQD A C32 ? ? 1 +57986 C C33 A SQD HC . 0.7606 1.1444 1.3120 0.0543 -0.0137 0.0133 410 SQD A C33 ? ? 1 +57987 C C33 B SQD HC . 1.0949 1.4779 1.6458 0.0544 -0.0136 0.0133 410 SQD A C33 ? ? 1 +57988 C C34 A SQD HC . 0.7666 1.1394 1.3111 0.0505 -0.0126 0.0108 410 SQD A C34 ? ? 1 +57989 C C34 B SQD HC . 1.0968 1.4691 1.6410 0.0506 -0.0125 0.0107 410 SQD A C34 ? ? 1 +57990 C C35 A SQD HC . 0.7812 1.1389 1.3156 0.0562 -0.0117 0.0095 410 SQD A C35 ? ? 1 +57991 C C35 B SQD HC . 1.1081 1.4656 1.6423 0.0565 -0.0117 0.0094 410 SQD A C35 ? ? 1 +57992 C C36 A SQD HC . 0.7861 1.1339 1.3140 0.0526 -0.0107 0.0066 410 SQD A C36 ? ? 1 +57993 C C36 B SQD HC . 1.1089 1.4560 1.6364 0.0528 -0.0107 0.0065 410 SQD A C36 ? ? 1 +57994 C C37 A SQD HC . 0.7936 1.1273 1.3140 0.0458 -0.0108 0.0071 410 SQD A C37 ? ? 1 +57995 C C37 B SQD HC . 1.1120 1.4452 1.6321 0.0459 -0.0108 0.0072 410 SQD A C37 ? ? 1 +57996 C C38 A SQD HC . 0.7997 1.1249 1.3145 0.0416 -0.0102 0.0038 410 SQD A C38 ? ? 1 +57997 C C38 B SQD HC . 1.1163 1.4406 1.6306 0.0416 -0.0102 0.0040 410 SQD A C38 ? ? 1 +57998 C C1 A SQD HC . 0.6111 0.9563 1.1220 0.0742 -0.0274 0.0515 410 SQD A C1 ? ? 1 +57999 C C1 B SQD HC . 0.6441 0.9890 1.1549 0.0739 -0.0273 0.0515 410 SQD A C1 ? ? 1 +58000 C C2 A SQD HC . 0.6125 0.9457 1.1155 0.0668 -0.0247 0.0542 410 SQD A C2 ? ? 1 +58001 C C2 B SQD HC . 0.6425 0.9745 1.1449 0.0667 -0.0245 0.0542 410 SQD A C2 ? ? 1 +58002 O O2 A SQD HC . 0.5992 0.9445 1.1116 0.0584 -0.0235 0.0541 410 SQD A O2 ? ? 1 +58003 O O2 B SQD HC . 0.6302 0.9735 1.1415 0.0579 -0.0232 0.0541 410 SQD A O2 ? ? 1 +58004 C C3 A SQD HC . 0.6194 0.9435 1.1125 0.0724 -0.0262 0.0575 410 SQD A C3 ? ? 1 +58005 C C3 B SQD HC . 0.6472 0.9705 1.1399 0.0723 -0.0260 0.0575 410 SQD A C3 ? ? 1 +58006 O O3 A SQD HC . 0.6328 0.9441 1.1172 0.0661 -0.0232 0.0602 410 SQD A O3 ? ? 1 +58007 O O3 B SQD HC . 0.6659 0.9757 1.1495 0.0660 -0.0230 0.0602 410 SQD A O3 ? ? 1 +58008 C C4 A SQD HC . 0.6290 0.9413 1.1127 0.0823 -0.0279 0.0573 410 SQD A C4 ? ? 1 +58009 C C4 B SQD HC . 0.6522 0.9647 1.1361 0.0825 -0.0279 0.0573 410 SQD A C4 ? ? 1 +58010 O O4 A SQD HC . 0.6337 0.9430 1.1113 0.0891 -0.0305 0.0598 410 SQD A O4 ? ? 1 +58011 O O4 B SQD HC . 0.6537 0.9644 1.1323 0.0891 -0.0307 0.0598 410 SQD A O4 ? ? 1 +58012 C C5 A SQD HC . 0.6165 0.9404 1.1092 0.0881 -0.0299 0.0538 410 SQD A C5 ? ? 1 +58013 C C5 B SQD HC . 0.6370 0.9614 1.1300 0.0883 -0.0300 0.0538 410 SQD A C5 ? ? 1 +58014 C C6 A SQD HC . 0.6206 0.9315 1.1042 0.0965 -0.0306 0.0531 410 SQD A C6 ? ? 1 +58015 C C6 B SQD HC . 0.6335 0.9453 1.1176 0.0967 -0.0308 0.0530 410 SQD A C6 ? ? 1 +58016 O O5 A SQD HC . 0.6158 0.9476 1.1173 0.0812 -0.0278 0.0512 410 SQD A O5 ? ? 1 +58017 O O5 B SQD HC . 0.6425 0.9747 1.1443 0.0813 -0.0279 0.0511 410 SQD A O5 ? ? 1 +58018 S S A SQD HC . 0.5976 0.9233 1.0920 0.1043 -0.0330 0.0492 410 SQD A S ? ? 1 +58019 S S B SQD HC . 0.6026 0.9286 1.0975 0.1038 -0.0328 0.0490 410 SQD A S ? ? 1 +58020 O O7 A SQD HC . 0.6150 0.9304 1.1004 0.1146 -0.0352 0.0497 410 SQD A O7 ? ? 1 +58021 O O7 B SQD HC . 0.6213 0.9327 1.1057 0.1117 -0.0333 0.0487 410 SQD A O7 ? ? 1 +58022 O O8 A SQD HC . 0.5924 0.9158 1.0887 0.0993 -0.0300 0.0465 410 SQD A O8 ? ? 1 +58023 O O8 B SQD HC . 0.5894 0.9209 1.0915 0.0959 -0.0300 0.0464 410 SQD A O8 ? ? 1 +58024 O O9 A SQD HC . 0.5761 0.9230 1.0845 0.1032 -0.0349 0.0483 410 SQD A O9 ? ? 1 +58025 O O9 B SQD HC . 0.5861 0.9308 1.0921 0.1070 -0.0359 0.0485 410 SQD A O9 ? ? 1 +58026 MG MG . CLA HD . 0.2442 0.8496 0.8910 -0.0671 0.1020 0.0684 616 CLA B MG ? ? 1 +58027 C CHA . CLA HD . 0.2772 0.8713 0.9024 -0.0629 0.1156 0.0706 616 CLA B CHA ? ? 1 +58028 C CHB . CLA HD . 0.2214 0.8534 0.8896 -0.0603 0.0936 0.0623 616 CLA B CHB ? ? 1 +58029 C CHC . CLA HD . 0.2161 0.8365 0.8900 -0.0744 0.0940 0.0648 616 CLA B CHC ? ? 1 +58030 C CHD . CLA HD . 0.2727 0.8526 0.9031 -0.0778 0.1167 0.0740 616 CLA B CHD ? ? 1 +58031 N NA . CLA HD . 0.2505 0.8629 0.8978 -0.0625 0.1038 0.0667 616 CLA B NA ? ? 1 +58032 C C1A . CLA HD . 0.2675 0.8734 0.9044 -0.0606 0.1085 0.0680 616 CLA B C1A ? ? 1 +58033 C C2A . CLA HD . 0.2755 0.8868 0.9129 -0.0561 0.1067 0.0664 616 CLA B C2A ? ? 1 +58034 C C3A . CLA HD . 0.2510 0.8747 0.9028 -0.0557 0.1004 0.0637 616 CLA B C3A ? ? 1 +58035 C C4A . CLA HD . 0.2404 0.8635 0.8970 -0.0598 0.0991 0.0642 616 CLA B C4A ? ? 1 +58036 C CMA . CLA HD . 0.2452 0.8824 0.9108 -0.0563 0.1037 0.0608 616 CLA B CMA ? ? 1 +58037 C CAA . CLA HD . 0.3073 0.9076 0.9284 -0.0512 0.1029 0.0681 616 CLA B CAA ? ? 1 +58038 C CBA . CLA HD . 0.3326 0.9367 0.9526 -0.0463 0.1000 0.0665 616 CLA B CBA ? ? 1 +58039 C CGA . CLA HD . 0.3848 0.9910 1.0046 -0.0462 0.1077 0.0659 616 CLA B CGA ? ? 1 +58040 O O1A . CLA HD . 0.4035 1.0027 1.0158 -0.0480 0.1147 0.0676 616 CLA B O1A ? ? 1 +58041 O O2A . CLA HD . 0.4588 1.0755 1.0873 -0.0437 0.1071 0.0632 616 CLA B O2A ? ? 1 +58042 N NB . CLA HD . 0.2202 0.8440 0.8885 -0.0677 0.0953 0.0643 616 CLA B NB ? ? 1 +58043 C C1B . CLA HD . 0.2124 0.8454 0.8869 -0.0642 0.0918 0.0622 616 CLA B C1B ? ? 1 +58044 C C2B . CLA HD . 0.1959 0.8405 0.8846 -0.0648 0.0866 0.0596 616 CLA B C2B ? ? 1 +58045 C C3B . CLA HD . 0.1961 0.8371 0.8862 -0.0691 0.0869 0.0604 616 CLA B C3B ? ? 1 +58046 C C4B . CLA HD . 0.2104 0.8384 0.8873 -0.0703 0.0920 0.0633 616 CLA B C4B ? ? 1 +58047 C CMB . CLA HD . 0.1848 0.8403 0.8821 -0.0615 0.0823 0.0570 616 CLA B CMB ? ? 1 +58048 C CAB . CLA HD . 0.1871 0.8340 0.8876 -0.0717 0.0829 0.0588 616 CLA B CAB ? ? 1 +58049 C CBB . CLA HD . 0.1757 0.8324 0.8856 -0.0699 0.0774 0.0564 616 CLA B CBB ? ? 1 +58050 N NC . CLA HD . 0.2421 0.8445 0.8945 -0.0745 0.1049 0.0690 616 CLA B NC ? ? 1 +58051 C C1C . CLA HD . 0.2307 0.8391 0.8932 -0.0765 0.1005 0.0675 616 CLA B C1C ? ? 1 +58052 C C2C . CLA HD . 0.2359 0.8391 0.8989 -0.0816 0.1030 0.0684 616 CLA B C2C ? ? 1 +58053 C C3C . CLA HD . 0.2526 0.8435 0.9026 -0.0827 0.1098 0.0712 616 CLA B C3C ? ? 1 +58054 C C4C . CLA HD . 0.2548 0.8461 0.8989 -0.0779 0.1100 0.0714 616 CLA B C4C ? ? 1 +58055 C CMC . CLA HD . 0.2285 0.8366 0.9018 -0.0850 0.0997 0.0668 616 CLA B CMC ? ? 1 +58056 C CAC . CLA HD . 0.2659 0.8457 0.9096 -0.0875 0.1154 0.0732 616 CLA B CAC ? ? 1 +58057 C CBC . CLA HD . 0.2675 0.8547 0.9227 -0.0938 0.1232 0.0715 616 CLA B CBC ? ? 1 +58058 N ND . CLA HD . 0.2673 0.8579 0.8990 -0.0699 0.1131 0.0717 616 CLA B ND ? ? 1 +58059 C C1D . CLA HD . 0.2777 0.8593 0.9043 -0.0745 0.1190 0.0737 616 CLA B C1D ? ? 1 +58060 C C2D . CLA HD . 0.2953 0.8666 0.9084 -0.0739 0.1261 0.0759 616 CLA B C2D ? ? 1 +58061 C C3D . CLA HD . 0.2924 0.8701 0.9062 -0.0693 0.1244 0.0745 616 CLA B C3D ? ? 1 +58062 C C4D . CLA HD . 0.2771 0.8668 0.9032 -0.0677 0.1177 0.0719 616 CLA B C4D ? ? 1 +58063 C CMD . CLA HD . 0.3135 0.8713 0.9145 -0.0770 0.1337 0.0789 616 CLA B CMD ? ? 1 +58064 C CAD . CLA HD . 0.3022 0.8775 0.9080 -0.0660 0.1281 0.0748 616 CLA B CAD ? ? 1 +58065 O OBD . CLA HD . 0.3191 0.8840 0.9129 -0.0668 0.1351 0.0770 616 CLA B OBD ? ? 1 +58066 C CBD . CLA HD . 0.2919 0.8778 0.9050 -0.0618 0.1225 0.0722 616 CLA B CBD ? ? 1 +58067 C CGD . CLA HD . 0.2932 0.8889 0.9150 -0.0626 0.1286 0.0701 616 CLA B CGD ? ? 1 +58068 O O1D . CLA HD . 0.3008 0.8922 0.9137 -0.0599 0.1321 0.0707 616 CLA B O1D ? ? 1 +58069 O O2D . CLA HD . 0.2882 0.8987 0.9288 -0.0662 0.1306 0.0673 616 CLA B O2D ? ? 1 +58070 C CED . CLA HD . 0.2955 0.9127 0.9418 -0.0673 0.1384 0.0659 616 CLA B CED ? ? 1 +58071 C C1 . CLA HD . 0.5347 1.1533 1.1625 -0.0429 0.1140 0.0624 616 CLA B C1 ? ? 1 +58072 C C2 . CLA HD . 0.6118 1.2350 1.2476 -0.0479 0.1226 0.0622 616 CLA B C2 ? ? 1 +58073 C C3 . CLA HD . 0.7138 1.3508 1.3667 -0.0503 0.1244 0.0597 616 CLA B C3 ? ? 1 +58074 C C4 . CLA HD . 0.7132 1.3535 1.3727 -0.0556 0.1335 0.0596 616 CLA B C4 ? ? 1 +58075 C C5 . CLA HD . 0.7938 1.4431 1.4597 -0.0480 0.1179 0.0568 616 CLA B C5 ? ? 1 +58076 C C6 . CLA HD . 0.8785 1.5361 1.5583 -0.0521 0.1154 0.0557 616 CLA B C6 ? ? 1 +58077 C C7 . CLA HD . 0.9559 1.6291 1.6535 -0.0535 0.1178 0.0525 616 CLA B C7 ? ? 1 +58078 C C8 . CLA HD . 1.0248 1.7065 1.7356 -0.0560 0.1124 0.0510 616 CLA B C8 ? ? 1 +58079 C C9 . CLA HD . 1.0301 1.7049 1.7374 -0.0592 0.1090 0.0528 616 CLA B C9 ? ? 1 +58080 C C10 . CLA HD . 1.1108 1.8084 1.8383 -0.0550 0.1112 0.0473 616 CLA B C10 ? ? 1 +58081 C C11 . CLA HD . 1.1761 1.8831 1.9183 -0.0605 0.1134 0.0456 616 CLA B C11 ? ? 1 +58082 C C12 . CLA HD . 1.2248 1.9448 1.9815 -0.0592 0.1072 0.0426 616 CLA B C12 ? ? 1 +58083 C C13 . CLA HD . 1.2506 1.9829 2.0241 -0.0639 0.1094 0.0400 616 CLA B C13 ? ? 1 +58084 C C14 . CLA HD . 1.2297 1.9719 2.0123 -0.0641 0.1164 0.0377 616 CLA B C14 ? ? 1 +58085 C C15 . CLA HD . 1.2907 2.0170 2.0628 -0.0702 0.1116 0.0415 616 CLA B C15 ? ? 1 +58086 C C16 . CLA HD . 1.2902 2.0266 2.0770 -0.0737 0.1081 0.0390 616 CLA B C16 ? ? 1 +58087 C C17 . CLA HD . 1.2800 2.0091 2.0637 -0.0784 0.1064 0.0406 616 CLA B C17 ? ? 1 +58088 C C18 . CLA HD . 1.1967 1.9368 1.9946 -0.0798 0.1008 0.0376 616 CLA B C18 ? ? 1 +58089 C C19 . CLA HD . 1.1388 1.8759 1.9341 -0.0779 0.0919 0.0380 616 CLA B C19 ? ? 1 +58090 C C20 . CLA HD . 1.1883 1.9434 2.0035 -0.0828 0.1043 0.0339 616 CLA B C20 ? ? 1 +58091 MG MG . CLA HE . 0.3784 0.8534 0.9851 0.1172 0.0013 -0.0075 511 CLA C MG ? ? 1 +58092 C CHA . CLA HE . 0.3968 0.8451 0.9869 0.1145 -0.0065 -0.0009 511 CLA C CHA ? ? 1 +58093 C CHB . CLA HE . 0.3523 0.8634 0.9861 0.1198 -0.0026 -0.0052 511 CLA C CHB ? ? 1 +58094 C CHC . CLA HE . 0.3597 0.8594 0.9804 0.1131 0.0103 -0.0129 511 CLA C CHC ? ? 1 +58095 C CHD . CLA HE . 0.4008 0.8385 0.9790 0.1085 0.0044 -0.0102 511 CLA C CHD ? ? 1 +58096 N NA . CLA HE . 0.3740 0.8537 0.9854 0.1166 -0.0038 -0.0035 511 CLA C NA ? ? 1 +58097 C C1A . CLA HE . 0.3846 0.8523 0.9883 0.1167 -0.0066 -0.0013 511 CLA C C1A ? ? 1 +58098 C C2A . CLA HE . 0.3828 0.8575 0.9920 0.1195 -0.0099 0.0009 511 CLA C C2A ? ? 1 +58099 C C3A . CLA HE . 0.3651 0.8599 0.9882 0.1196 -0.0089 -0.0004 511 CLA C C3A ? ? 1 +58100 C C4A . CLA HE . 0.3630 0.8587 0.9860 0.1184 -0.0048 -0.0032 511 CLA C C4A ? ? 1 +58101 C CMA . CLA HE . 0.3512 0.8555 0.9807 0.1121 -0.0103 0.0017 511 CLA C CMA ? ? 1 +58102 C CAA . CLA HE . 0.4031 0.8694 1.0070 0.1289 -0.0115 0.0009 511 CLA C CAA ? ? 1 +58103 C CBA . CLA HE . 0.4057 0.8796 1.0151 0.1333 -0.0151 0.0027 511 CLA C CBA ? ? 1 +58104 C CGA . CLA HE . 0.4128 0.8792 1.0167 0.1284 -0.0178 0.0062 511 CLA C CGA ? ? 1 +58105 O O1A . CLA HE . 0.4266 0.8789 1.0206 0.1310 -0.0196 0.0079 511 CLA C O1A ? ? 1 +58106 O O2A . CLA HE . 0.4129 0.8883 1.0228 0.1203 -0.0184 0.0078 511 CLA C O2A ? ? 1 +58107 N NB . CLA HE . 0.3572 0.8583 0.9818 0.1159 0.0035 -0.0087 511 CLA C NB ? ? 1 +58108 C C1B . CLA HE . 0.3487 0.8630 0.9837 0.1180 0.0017 -0.0078 511 CLA C C1B ? ? 1 +58109 C C2B . CLA HE . 0.3362 0.8684 0.9837 0.1174 0.0041 -0.0093 511 CLA C C2B ? ? 1 +58110 C C3B . CLA HE . 0.3398 0.8680 0.9829 0.1154 0.0083 -0.0115 511 CLA C C3B ? ? 1 +58111 C C4B . CLA HE . 0.3525 0.8617 0.9817 0.1151 0.0073 -0.0110 511 CLA C C4B ? ? 1 +58112 C CMB . CLA HE . 0.3247 0.8738 0.9852 0.1187 0.0027 -0.0090 511 CLA C CMB ? ? 1 +58113 C CAB . CLA HE . 0.3342 0.8737 0.9841 0.1141 0.0127 -0.0137 511 CLA C CAB ? ? 1 +58114 C CBB . CLA HE . 0.3248 0.8807 0.9872 0.1156 0.0140 -0.0146 511 CLA C CBB ? ? 1 +58115 N NC . CLA HE . 0.3774 0.8476 0.9783 0.1119 0.0059 -0.0105 511 CLA C NC ? ? 1 +58116 C C1C . CLA HE . 0.3707 0.8518 0.9780 0.1116 0.0093 -0.0126 511 CLA C C1C ? ? 1 +58117 C C2C . CLA HE . 0.3756 0.8497 0.9757 0.1086 0.0123 -0.0147 511 CLA C C2C ? ? 1 +58118 C C3C . CLA HE . 0.3894 0.8456 0.9773 0.1074 0.0103 -0.0141 511 CLA C C3C ? ? 1 +58119 C C4C . CLA HE . 0.3888 0.8439 0.9782 0.1098 0.0068 -0.0115 511 CLA C C4C ? ? 1 +58120 C CMC . CLA HE . 0.3708 0.8532 0.9745 0.1072 0.0164 -0.0169 511 CLA C CMC ? ? 1 +58121 C CAC . CLA HE . 0.4019 0.8440 0.9782 0.1042 0.0115 -0.0158 511 CLA C CAC ? ? 1 +58122 C CBC . CLA HE . 0.3956 0.8366 0.9703 0.0947 0.0099 -0.0144 511 CLA C CBC ? ? 1 +58123 N ND . CLA HE . 0.3940 0.8431 0.9827 0.1127 -0.0004 -0.0060 511 CLA C ND ? ? 1 +58124 C C1D . CLA HE . 0.4020 0.8375 0.9803 0.1089 0.0010 -0.0073 511 CLA C C1D ? ? 1 +58125 C C2D . CLA HE . 0.4158 0.8344 0.9835 0.1078 -0.0012 -0.0056 511 CLA C C2D ? ? 1 +58126 C C3D . CLA HE . 0.4119 0.8364 0.9848 0.1099 -0.0040 -0.0028 511 CLA C C3D ? ? 1 +58127 C C4D . CLA HE . 0.3985 0.8409 0.9836 0.1115 -0.0036 -0.0032 511 CLA C C4D ? ? 1 +58128 C CMD . CLA HE . 0.4305 0.8300 0.9851 0.1047 -0.0012 -0.0060 511 CLA C CMD ? ? 1 +58129 C CAD . CLA HE . 0.4179 0.8353 0.9870 0.1102 -0.0071 0.0002 511 CLA C CAD ? ? 1 +58130 O OBD . CLA HE . 0.4294 0.8302 0.9877 0.1082 -0.0079 0.0014 511 CLA C OBD ? ? 1 +58131 C CBD . CLA HE . 0.4091 0.8416 0.9889 0.1135 -0.0089 0.0016 511 CLA C CBD ? ? 1 +58132 C CGD . CLA HE . 0.4016 0.8379 0.9843 0.1063 -0.0109 0.0045 511 CLA C CGD ? ? 1 +58133 O O1D . CLA HE . 0.4055 0.8400 0.9873 0.1077 -0.0134 0.0070 511 CLA C O1D ? ? 1 +58134 O O2D . CLA HE . 0.3911 0.8331 0.9772 0.0977 -0.0099 0.0044 511 CLA C O2D ? ? 1 +58135 C CED . CLA HE . 0.3853 0.8314 0.9745 0.0918 -0.0119 0.0071 511 CLA C CED ? ? 1 +58136 C C1 . CLA HE . 0.4333 0.8966 1.0346 0.1136 -0.0191 0.0104 511 CLA C C1 ? ? 1 +58137 C C2 . CLA HE . 0.4294 0.9012 1.0365 0.1044 -0.0179 0.0105 511 CLA C C2 ? ? 1 +58138 C C3 . CLA HE . 0.4359 0.9159 1.0484 0.1001 -0.0196 0.0126 511 CLA C C3 ? ? 1 +58139 C C4 . CLA HE . 0.4410 0.9216 1.0536 0.1044 -0.0229 0.0148 511 CLA C C4 ? ? 1 +58140 C C5 . CLA HE . 0.4388 0.9271 1.0569 0.0913 -0.0185 0.0127 511 CLA C C5 ? ? 1 +58141 C C6 . CLA HE . 0.4485 0.9432 1.0708 0.0901 -0.0154 0.0098 511 CLA C C6 ? ? 1 +58142 C C7 . CLA HE . 0.4474 0.9523 1.0763 0.0823 -0.0147 0.0102 511 CLA C C7 ? ? 1 +58143 C C8 . CLA HE . 0.4646 0.9728 1.0951 0.0793 -0.0116 0.0078 511 CLA C C8 ? ? 1 +58144 C C9 . CLA HE . 0.4644 0.9884 1.1052 0.0756 -0.0105 0.0073 511 CLA C C9 ? ? 1 +58145 C C10 . CLA HE . 0.4822 0.9778 1.1037 0.0814 -0.0096 0.0058 511 CLA C C10 ? ? 1 +58146 C C11 . CLA HE . 0.4816 0.9842 1.1070 0.0825 -0.0063 0.0028 511 CLA C C11 ? ? 1 +58147 C C12 . CLA HE . 0.4955 0.9965 1.1202 0.0913 -0.0052 0.0009 511 CLA C C12 ? ? 1 +58148 C C13 . CLA HE . 0.5082 1.0008 1.1262 0.0932 -0.0023 -0.0018 511 CLA C C13 ? ? 1 +58149 C C14 . CLA HE . 0.5053 1.0105 1.1312 0.0944 0.0011 -0.0042 511 CLA C C14 ? ? 1 +58150 C C15 . CLA HE . 0.5179 0.9982 1.1266 0.0866 -0.0023 -0.0015 511 CLA C C15 ? ? 1 +58151 C C16 . CLA HE . 0.5443 1.0076 1.1415 0.0900 -0.0019 -0.0026 511 CLA C C16 ? ? 1 +58152 C C17 . CLA HE . 0.5593 1.0162 1.1504 0.0851 0.0000 -0.0044 511 CLA C C17 ? ? 1 +58153 C C18 . CLA HE . 0.5817 1.0211 1.1610 0.0815 -0.0011 -0.0043 511 CLA C C18 ? ? 1 +58154 C C19 . CLA HE . 0.5983 1.0275 1.1691 0.0824 0.0011 -0.0073 511 CLA C C19 ? ? 1 +58155 C C20 . CLA HE . 0.5871 1.0182 1.1624 0.0783 -0.0040 -0.0015 511 CLA C C20 ? ? 1 +58156 O O1 A LHG HF . 0.9875 1.1496 1.4134 -0.0467 0.0310 0.0621 101 LHG E O1 ? ? 1 +58157 O O1 B LHG HF . 1.2214 1.3811 1.6464 -0.0477 0.0314 0.0618 101 LHG E O1 ? ? 1 +58158 C C1 A LHG HF . 0.9939 1.1478 1.4127 -0.0385 0.0280 0.0612 101 LHG E C1 ? ? 1 +58159 C C1 B LHG HF . 1.2337 1.3866 1.6518 -0.0382 0.0281 0.0613 101 LHG E C1 ? ? 1 +58160 C C2 A LHG HF . 0.9737 1.1463 1.4053 -0.0352 0.0233 0.0576 101 LHG E C2 ? ? 1 +58161 C C2 B LHG HF . 1.2193 1.3904 1.6502 -0.0356 0.0235 0.0576 101 LHG E C2 ? ? 1 +58162 O O2 A LHG HF . 0.9659 1.1435 1.4060 -0.0440 0.0240 0.0537 101 LHG E O2 ? ? 1 +58163 O O2 B LHG HF . 1.2100 1.3839 1.6479 -0.0443 0.0244 0.0537 101 LHG E O2 ? ? 1 +58164 C C3 A LHG HF . 0.9762 1.1426 1.4011 -0.0249 0.0199 0.0570 101 LHG E C3 ? ? 1 +58165 C C3 B LHG HF . 1.2227 1.3888 1.6474 -0.0249 0.0199 0.0570 101 LHG E C3 ? ? 1 +58166 O O3 A LHG HF . 0.9566 1.1334 1.3906 -0.0252 0.0172 0.0527 101 LHG E O3 ? ? 1 +58167 O O3 B LHG HF . 1.2017 1.3774 1.6350 -0.0251 0.0172 0.0527 101 LHG E O3 ? ? 1 +58168 P P A LHG HF . 0.9426 1.1231 1.3760 -0.0139 0.0128 0.0515 101 LHG E P ? ? 1 +58169 P P B LHG HF . 1.1794 1.3598 1.6128 -0.0139 0.0128 0.0514 101 LHG E P ? ? 1 +58170 O O4 A LHG HF . 0.9548 1.1313 1.3807 -0.0046 0.0117 0.0553 101 LHG E O4 ? ? 1 +58171 O O4 B LHG HF . 1.1944 1.3699 1.6197 -0.0043 0.0117 0.0552 101 LHG E O4 ? ? 1 +58172 O O5 A LHG HF . 0.9493 1.1168 1.3764 -0.0139 0.0131 0.0485 101 LHG E O5 ? ? 1 +58173 O O5 B LHG HF . 1.1767 1.3458 1.6049 -0.0140 0.0129 0.0483 101 LHG E O5 ? ? 1 +58174 O O6 A LHG HF . 0.9121 1.1183 1.3629 -0.0149 0.0097 0.0490 101 LHG E O6 ? ? 1 +58175 O O6 B LHG HF . 1.1517 1.3581 1.6027 -0.0151 0.0099 0.0492 101 LHG E O6 ? ? 1 +58176 C C4 A LHG HF . 0.8960 1.1162 1.3524 -0.0062 0.0062 0.0497 101 LHG E C4 ? ? 1 +58177 C C4 B LHG HF . 1.1369 1.3570 1.5932 -0.0061 0.0062 0.0498 101 LHG E C4 ? ? 1 +58178 C C5 A LHG HF . 0.8760 1.1189 1.3484 -0.0095 0.0042 0.0476 101 LHG E C5 ? ? 1 +58179 C C5 B LHG HF . 1.1235 1.3666 1.5959 -0.0091 0.0041 0.0476 101 LHG E C5 ? ? 1 +58180 C C6 A LHG HF . 0.8760 1.1313 1.3546 -0.0017 0.0005 0.0458 101 LHG E C6 ? ? 1 +58181 C C6 B LHG HF . 1.1365 1.3914 1.6145 -0.0008 0.0004 0.0460 101 LHG E C6 ? ? 1 +58182 O O7 A LHG HF . 0.8617 1.1061 1.3393 -0.0186 0.0055 0.0444 101 LHG E O7 ? ? 1 +58183 O O7 B LHG HF . 1.1011 1.3466 1.5792 -0.0178 0.0052 0.0443 101 LHG E O7 ? ? 1 +58184 C C7 A LHG HF . 0.8358 1.0918 1.3230 -0.0263 0.0064 0.0442 101 LHG E C7 ? ? 1 +58185 C C7 B LHG HF . 1.0697 1.3228 1.5552 -0.0266 0.0068 0.0443 101 LHG E C7 ? ? 1 +58186 O O9 A LHG HF . 0.8409 1.1037 1.3310 -0.0264 0.0068 0.0469 101 LHG E O9 ? ? 1 +58187 O O9 B LHG HF . 1.0821 1.3369 1.5677 -0.0281 0.0082 0.0472 101 LHG E O9 ? ? 1 +58188 C C8 A LHG HF . 0.8141 1.0752 1.3085 -0.0340 0.0064 0.0403 101 LHG E C8 ? ? 1 +58189 C C8 B LHG HF . 1.0351 1.2954 1.5290 -0.0338 0.0064 0.0403 101 LHG E C8 ? ? 1 +58190 C C9 A LHG HF . 0.7791 1.0621 1.2879 -0.0352 0.0039 0.0386 101 LHG E C9 ? ? 1 +58191 C C9 B LHG HF . 0.9919 1.2745 1.5002 -0.0352 0.0041 0.0391 101 LHG E C9 ? ? 1 +58192 C C10 A LHG HF . 0.7604 1.0493 1.2771 -0.0447 0.0044 0.0354 101 LHG E C10 ? ? 1 +58193 C C10 B LHG HF . 0.9650 1.2545 1.4817 -0.0443 0.0044 0.0357 101 LHG E C10 ? ? 1 +58194 O O8 A LHG HF . 0.8826 1.1492 1.3653 0.0040 -0.0014 0.0481 101 LHG E O8 ? ? 1 +58195 O O8 B LHG HF . 1.1584 1.4260 1.6416 0.0038 -0.0014 0.0483 101 LHG E O8 ? ? 1 +58196 C C23 A LHG HF . 0.8852 1.1716 1.3807 0.0036 -0.0034 0.0468 101 LHG E C23 ? ? 1 +58197 C C23 B LHG HF . 1.1873 1.4748 1.6834 0.0039 -0.0036 0.0468 101 LHG E C23 ? ? 1 +58198 O O10 A LHG HF . 0.8799 1.1769 1.3798 0.0082 -0.0053 0.0483 101 LHG E O10 ? ? 1 +58199 O O10 B LHG HF . 1.1898 1.4877 1.6901 0.0086 -0.0055 0.0483 101 LHG E O10 ? ? 1 +58200 C C24 A LHG HF . 0.8894 1.1829 1.3929 -0.0035 -0.0032 0.0433 101 LHG E C24 ? ? 1 +58201 C C24 B LHG HF . 1.2024 1.4980 1.7070 -0.0029 -0.0035 0.0433 101 LHG E C24 ? ? 1 +58202 C C11 A LHG HF . 0.7597 1.0426 1.2755 -0.0534 0.0079 0.0365 101 LHG E C11 ? ? 1 +58203 C C11 B LHG HF . 0.9651 1.2482 1.4810 -0.0535 0.0079 0.0365 101 LHG E C11 ? ? 1 +58204 C C12 A LHG HF . 0.7360 1.0310 1.2632 -0.0622 0.0078 0.0339 101 LHG E C12 ? ? 1 +58205 C C12 B LHG HF . 0.9320 1.2283 1.4599 -0.0620 0.0076 0.0338 101 LHG E C12 ? ? 1 +58206 C C13 A LHG HF . 0.7323 1.0239 1.2603 -0.0706 0.0115 0.0351 101 LHG E C13 ? ? 1 +58207 C C13 B LHG HF . 0.9260 1.2178 1.4543 -0.0707 0.0114 0.0348 101 LHG E C13 ? ? 1 +58208 C C14 A LHG HF . 0.7149 1.0214 1.2559 -0.0784 0.0112 0.0327 101 LHG E C14 ? ? 1 +58209 C C14 B LHG HF . 0.9111 1.2183 1.4525 -0.0784 0.0109 0.0325 101 LHG E C14 ? ? 1 +58210 C C15 A LHG HF . 0.6923 1.0167 1.2429 -0.0767 0.0099 0.0343 101 LHG E C15 ? ? 1 +58211 C C15 B LHG HF . 0.8917 1.2164 1.4425 -0.0766 0.0098 0.0342 101 LHG E C15 ? ? 1 +58212 C C16 A LHG HF . 0.6833 1.0189 1.2447 -0.0852 0.0110 0.0330 101 LHG E C16 ? ? 1 +58213 C C16 B LHG HF . 0.8910 1.2264 1.4521 -0.0850 0.0112 0.0333 101 LHG E C16 ? ? 1 +58214 C C17 A LHG HF . 0.6579 1.0109 1.2286 -0.0833 0.0098 0.0345 101 LHG E C17 ? ? 1 +58215 C C17 B LHG HF . 0.8603 1.2137 1.4311 -0.0830 0.0097 0.0346 101 LHG E C17 ? ? 1 +58216 C C18 A LHG HF . 0.6509 1.0008 1.2158 -0.0778 0.0112 0.0389 101 LHG E C18 ? ? 1 +58217 C C18 B LHG HF . 0.8432 1.1947 1.4087 -0.0769 0.0106 0.0389 101 LHG E C18 ? ? 1 +58218 C C19 A LHG HF . 0.6241 0.9909 1.1979 -0.0758 0.0098 0.0403 101 LHG E C19 ? ? 1 +58219 C C19 B LHG HF . 0.8028 1.1716 1.3777 -0.0756 0.0093 0.0401 101 LHG E C19 ? ? 1 +58220 C C20 A LHG HF . 0.6158 0.9883 1.1955 -0.0827 0.0127 0.0410 101 LHG E C20 ? ? 1 +58221 C C20 B LHG HF . 0.7904 1.1636 1.3705 -0.0825 0.0125 0.0410 101 LHG E C20 ? ? 1 +58222 C C21 A LHG HF . 0.5940 0.9815 1.1811 -0.0804 0.0117 0.0427 101 LHG E C21 ? ? 1 +58223 C C21 B LHG HF . 0.7614 1.1491 1.3485 -0.0803 0.0117 0.0428 101 LHG E C21 ? ? 1 +58224 C C22 A LHG HF . 0.5729 0.9775 1.1717 -0.0808 0.0081 0.0398 101 LHG E C22 ? ? 1 +58225 C C22 B LHG HF . 0.7343 1.1396 1.3337 -0.0814 0.0085 0.0400 101 LHG E C22 ? ? 1 +58226 C C25 A LHG HF . 0.8819 1.1909 1.3968 -0.0103 -0.0031 0.0432 101 LHG E C25 ? ? 1 +58227 C C25 B LHG HF . 1.2049 1.5159 1.7208 -0.0097 -0.0034 0.0432 101 LHG E C25 ? ? 1 +58228 C C26 A LHG HF . 0.8705 1.1967 1.3971 -0.0106 -0.0054 0.0402 101 LHG E C26 ? ? 1 +58229 C C26 B LHG HF . 1.1986 1.5262 1.7261 -0.0105 -0.0055 0.0401 101 LHG E C26 ? ? 1 +58230 C C27 A LHG HF . 0.8540 1.1972 1.3893 -0.0066 -0.0075 0.0413 101 LHG E C27 ? ? 1 +58231 C C27 B LHG HF . 1.1801 1.5254 1.7168 -0.0068 -0.0077 0.0409 101 LHG E C27 ? ? 1 +58232 C C28 A LHG HF . 0.8484 1.2039 1.3927 -0.0132 -0.0071 0.0419 101 LHG E C28 ? ? 1 +58233 C C28 B LHG HF . 1.1851 1.5420 1.7304 -0.0132 -0.0072 0.0418 101 LHG E C28 ? ? 1 +58234 C C29 A LHG HF . 0.8456 1.2072 1.3969 -0.0208 -0.0068 0.0389 101 LHG E C29 ? ? 1 +58235 C C29 B LHG HF . 1.1907 1.5550 1.7436 -0.0207 -0.0071 0.0388 101 LHG E C29 ? ? 1 +58236 C C30 A LHG HF . 0.8404 1.2125 1.3999 -0.0274 -0.0061 0.0396 101 LHG E C30 ? ? 1 +58237 C C30 B LHG HF . 1.1970 1.5693 1.7567 -0.0278 -0.0059 0.0397 101 LHG E C30 ? ? 1 +58238 C C31 A LHG HF . 0.8293 1.2073 1.3956 -0.0347 -0.0061 0.0365 101 LHG E C31 ? ? 1 +58239 C C31 B LHG HF . 1.1769 1.5531 1.7425 -0.0357 -0.0056 0.0368 101 LHG E C31 ? ? 1 +58240 CL CL A CL HG . 0.2319 0.7436 0.7876 0.0307 -0.0116 0.0217 402 CL a CL ? ? 1 +58241 CL CL B CL HG . 0.2864 0.7985 0.8423 0.0301 -0.0116 0.0216 402 CL a CL ? ? 1 +58242 MG MG . CLA HH . 0.2487 1.0569 1.0581 -0.0613 -0.1541 -0.0725 610 CLA b MG ? ? 1 +58243 C CHA . CLA HH . 0.1888 1.0115 1.0203 -0.0611 -0.1413 -0.0670 610 CLA b CHA ? ? 1 +58244 C CHB . CLA HH . 0.2104 1.0079 1.0229 -0.0798 -0.1395 -0.0734 610 CLA b CHB ? ? 1 +58245 C CHC . CLA HH . 0.2316 1.0329 1.0264 -0.0625 -0.1697 -0.0820 610 CLA b CHC ? ? 1 +58246 C CHD . CLA HH . 0.2149 1.0427 1.0304 -0.0429 -0.1723 -0.0757 610 CLA b CHD ? ? 1 +58247 N NA . CLA HH . 0.2120 1.0220 1.0320 -0.0691 -0.1425 -0.0704 610 CLA b NA ? ? 1 +58248 C C1A . CLA HH . 0.1976 1.0117 1.0237 -0.0678 -0.1381 -0.0676 610 CLA b C1A ? ? 1 +58249 C C2A . CLA HH . 0.1938 1.0030 1.0211 -0.0736 -0.1292 -0.0651 610 CLA b C2A ? ? 1 +58250 C C3A . CLA HH . 0.1980 1.0011 1.0214 -0.0798 -0.1290 -0.0678 610 CLA b C3A ? ? 1 +58251 C C4A . CLA HH . 0.2065 1.0102 1.0250 -0.0762 -0.1376 -0.0708 610 CLA b C4A ? ? 1 +58252 C CMA . CLA HH . 0.1985 1.0098 1.0356 -0.0880 -0.1261 -0.0723 610 CLA b CMA ? ? 1 +58253 C CAA . CLA HH . 0.1974 0.9948 1.0122 -0.0697 -0.1245 -0.0582 610 CLA b CAA ? ? 1 +58254 C CBA . CLA HH . 0.1980 0.9903 1.0136 -0.0750 -0.1157 -0.0556 610 CLA b CBA ? ? 1 +58255 C CGA . CLA HH . 0.1970 0.9950 1.0193 -0.0725 -0.1122 -0.0530 610 CLA b CGA ? ? 1 +58256 O O1A . CLA HH . 0.2053 1.0062 1.0266 -0.0661 -0.1157 -0.0516 610 CLA b O1A ? ? 1 +58257 O O2A . CLA HH . 0.1969 0.9968 1.0264 -0.0772 -0.1050 -0.0520 610 CLA b O2A ? ? 1 +58258 N NB . CLA HH . 0.2242 1.0263 1.0303 -0.0701 -0.1549 -0.0774 610 CLA b NB ? ? 1 +58259 C C1B . CLA HH . 0.2184 1.0150 1.0248 -0.0771 -0.1479 -0.0767 610 CLA b C1B ? ? 1 +58260 C C2B . CLA HH . 0.2231 1.0134 1.0246 -0.0823 -0.1492 -0.0801 610 CLA b C2B ? ? 1 +58261 C C3B . CLA HH . 0.2296 1.0216 1.0262 -0.0773 -0.1584 -0.0829 610 CLA b C3B ? ? 1 +58262 C C4B . CLA HH . 0.2263 1.0245 1.0250 -0.0696 -0.1610 -0.0805 610 CLA b C4B ? ? 1 +58263 C CMB . CLA HH . 0.2238 1.0073 1.0248 -0.0904 -0.1430 -0.0806 610 CLA b CMB ? ? 1 +58264 C CAB . CLA HH . 0.2399 1.0258 1.0289 -0.0796 -0.1629 -0.0867 610 CLA b CAB ? ? 1 +58265 C CBB . CLA HH . 0.2479 1.0298 1.0264 -0.0738 -0.1698 -0.0872 610 CLA b CBB ? ? 1 +58266 N NC . CLA HH . 0.2259 1.0406 1.0335 -0.0549 -0.1676 -0.0778 610 CLA b NC ? ? 1 +58267 C C1C . CLA HH . 0.2293 1.0390 1.0292 -0.0557 -0.1727 -0.0809 610 CLA b C1C ? ? 1 +58268 C C2C . CLA HH . 0.2348 1.0486 1.0320 -0.0496 -0.1823 -0.0838 610 CLA b C2C ? ? 1 +58269 C C3C . CLA HH . 0.2311 1.0527 1.0344 -0.0437 -0.1832 -0.0819 610 CLA b C3C ? ? 1 +58270 C C4C . CLA HH . 0.2226 1.0434 1.0311 -0.0474 -0.1738 -0.0782 610 CLA b C4C ? ? 1 +58271 C CMC . CLA HH . 0.2468 1.0574 1.0367 -0.0495 -0.1897 -0.0881 610 CLA b CMC ? ? 1 +58272 C CAC . CLA HH . 0.2374 1.0659 1.0414 -0.0356 -0.1916 -0.0835 610 CLA b CAC ? ? 1 +58273 C CBC . CLA HH . 0.2441 1.0595 1.0293 -0.0280 -0.1938 -0.0788 610 CLA b CBC ? ? 1 +58274 N ND . CLA HH . 0.2090 1.0310 1.0298 -0.0539 -0.1563 -0.0715 610 CLA b ND ? ? 1 +58275 C C1D . CLA HH . 0.2061 1.0358 1.0293 -0.0468 -0.1639 -0.0732 610 CLA b C1D ? ? 1 +58276 C C2D . CLA HH . 0.1967 1.0328 1.0270 -0.0430 -0.1612 -0.0706 610 CLA b C2D ? ? 1 +58277 C C3D . CLA HH . 0.1881 1.0215 1.0220 -0.0492 -0.1520 -0.0682 610 CLA b C3D ? ? 1 +58278 C C4D . CLA HH . 0.1949 1.0219 1.0248 -0.0554 -0.1502 -0.0695 610 CLA b C4D ? ? 1 +58279 C CMD . CLA HH . 0.1974 1.0411 1.0315 -0.0352 -0.1659 -0.0705 610 CLA b CMD ? ? 1 +58280 C CAD . CLA HH . 0.1783 1.0144 1.0196 -0.0515 -0.1443 -0.0656 610 CLA b CAD ? ? 1 +58281 O OBD . CLA HH . 0.1722 1.0146 1.0196 -0.0474 -0.1435 -0.0642 610 CLA b OBD ? ? 1 +58282 C CBD . CLA HH . 0.1785 1.0076 1.0182 -0.0591 -0.1373 -0.0647 610 CLA b CBD ? ? 1 +58283 C CGD . CLA HH . 0.1740 1.0144 1.0298 -0.0654 -0.1338 -0.0682 610 CLA b CGD ? ? 1 +58284 O O1D . CLA HH . 0.1704 1.0096 1.0290 -0.0678 -0.1267 -0.0656 610 CLA b O1D ? ? 1 +58285 O O2D . CLA HH . 0.1799 1.0330 1.0485 -0.0685 -0.1386 -0.0750 610 CLA b O2D ? ? 1 +58286 C CED . CLA HH . 0.1758 1.0381 1.0590 -0.0756 -0.1340 -0.0782 610 CLA b CED ? ? 1 +58287 C C1 . CLA HH . 0.1894 0.9968 1.0265 -0.0741 -0.1031 -0.0506 610 CLA b C1 ? ? 1 +58288 C C2 . CLA HH . 0.1870 1.0096 1.0409 -0.0769 -0.1041 -0.0556 610 CLA b C2 ? ? 1 +58289 C C3 . CLA HH . 0.1819 1.0091 1.0446 -0.0805 -0.0979 -0.0554 610 CLA b C3 ? ? 1 +58290 C C4 . CLA HH . 0.1786 0.9954 1.0338 -0.0816 -0.0904 -0.0503 610 CLA b C4 ? ? 1 +58291 C C5 . CLA HH . 0.1788 1.0215 1.0589 -0.0834 -0.0981 -0.0604 610 CLA b C5 ? ? 1 +58292 C C6 . CLA HH . 0.1728 1.0232 1.0592 -0.0780 -0.0976 -0.0590 610 CLA b C6 ? ? 1 +58293 C C7 . CLA HH . 0.1758 1.0248 1.0552 -0.0693 -0.1040 -0.0570 610 CLA b C7 ? ? 1 +58294 C C8 . CLA HH . 0.1844 1.0459 1.0726 -0.0655 -0.1120 -0.0617 610 CLA b C8 ? ? 1 +58295 C C9 . CLA HH . 0.1822 1.0599 1.0881 -0.0692 -0.1138 -0.0682 610 CLA b C9 ? ? 1 +58296 C C10 . CLA HH . 0.1948 1.0524 1.0731 -0.0575 -0.1192 -0.0601 610 CLA b C10 ? ? 1 +58297 C C11 . CLA HH . 0.2009 1.0423 1.0616 -0.0559 -0.1184 -0.0553 610 CLA b C11 ? ? 1 +58298 C C12 . CLA HH . 0.2140 1.0527 1.0660 -0.0484 -0.1259 -0.0547 610 CLA b C12 ? ? 1 +58299 C C13 . CLA HH . 0.2251 1.0484 1.0599 -0.0454 -0.1245 -0.0491 610 CLA b C13 ? ? 1 +58300 C C14 . CLA HH . 0.2290 1.0429 1.0579 -0.0518 -0.1194 -0.0479 610 CLA b C14 ? ? 1 +58301 C C15 . CLA HH . 0.2437 1.0626 1.0686 -0.0402 -0.1318 -0.0495 610 CLA b C15 ? ? 1 +58302 C C16 . CLA HH . 0.2565 1.0800 1.0817 -0.0322 -0.1371 -0.0491 610 CLA b C16 ? ? 1 +58303 C C17 . CLA HH . 0.2706 1.0820 1.0791 -0.0263 -0.1400 -0.0453 610 CLA b C17 ? ? 1 +58304 C C18 . CLA HH . 0.2899 1.0995 1.0919 -0.0246 -0.1475 -0.0483 610 CLA b C18 ? ? 1 +58305 C C19 . CLA HH . 0.3014 1.1080 1.0943 -0.0161 -0.1541 -0.0472 610 CLA b C19 ? ? 1 +58306 C C20 . CLA HH . 0.2952 1.1071 1.1004 -0.0306 -0.1494 -0.0529 610 CLA b C20 ? ? 1 +58307 MG MG . CLA HI . 0.5747 1.1191 1.0169 0.1150 0.2076 -0.0010 507 CLA c MG ? ? 1 +58308 C CHA . CLA HI . 0.5681 1.1287 1.0275 0.0999 0.2173 0.0059 507 CLA c CHA ? ? 1 +58309 C CHB . CLA HI . 0.5732 1.0895 0.9867 0.1062 0.1865 0.0032 507 CLA c CHB ? ? 1 +58310 C CHC . CLA HI . 0.5651 1.1026 1.0069 0.1267 0.1910 -0.0071 507 CLA c CHC ? ? 1 +58311 C CHD . CLA HI . 0.5587 1.1466 1.0505 0.1220 0.2218 -0.0058 507 CLA c CHD ? ? 1 +58312 N NA . CLA HI . 0.5749 1.1139 1.0116 0.1054 0.2027 0.0037 507 CLA c NA ? ? 1 +58313 C C1A . CLA HI . 0.5759 1.1211 1.0187 0.1005 0.2078 0.0062 507 CLA c C1A ? ? 1 +58314 C C2A . CLA HI . 0.5867 1.1207 1.0162 0.0953 0.2042 0.0093 507 CLA c C2A ? ? 1 +58315 C C3A . CLA HI . 0.5857 1.1053 0.9994 0.0979 0.1954 0.0081 507 CLA c C3A ? ? 1 +58316 C C4A . CLA HI . 0.5781 1.1034 1.0000 0.1036 0.1946 0.0048 507 CLA c C4A ? ? 1 +58317 C CMA . CLA HI . 0.6058 1.1082 0.9956 0.0998 0.1985 0.0082 507 CLA c CMA ? ? 1 +58318 C CAA . CLA HI . 0.5845 1.1282 1.0285 0.0891 0.1998 0.0117 507 CLA c CAA ? ? 1 +58319 C CBA . CLA HI . 0.5887 1.1357 1.0409 0.0895 0.1887 0.0108 507 CLA c CBA ? ? 1 +58320 C CGA . CLA HI . 0.5932 1.1512 1.0615 0.0840 0.1840 0.0127 507 CLA c CGA ? ? 1 +58321 O O1A . CLA HI . 0.5937 1.1530 1.0633 0.0789 0.1859 0.0154 507 CLA c O1A ? ? 1 +58322 O O2A . CLA HI . 0.6213 1.1878 1.1031 0.0854 0.1770 0.0112 507 CLA c O2A ? ? 1 +58323 N NB . CLA HI . 0.5658 1.0963 0.9967 0.1158 0.1918 -0.0017 507 CLA c NB ? ? 1 +58324 C C1B . CLA HI . 0.5664 1.0853 0.9848 0.1120 0.1847 0.0000 507 CLA c C1B ? ? 1 +58325 C C2B . CLA HI . 0.5626 1.0726 0.9742 0.1134 0.1746 -0.0013 507 CLA c C2B ? ? 1 +58326 C C3B . CLA HI . 0.5589 1.0748 0.9787 0.1193 0.1761 -0.0042 507 CLA c C3B ? ? 1 +58327 C C4B . CLA HI . 0.5636 1.0915 0.9941 0.1207 0.1867 -0.0043 507 CLA c C4B ? ? 1 +58328 C CMB . CLA HI . 0.5624 1.0604 0.9618 0.1096 0.1655 0.0000 507 CLA c CMB ? ? 1 +58329 C CAB . CLA HI . 0.5567 1.0674 0.9743 0.1235 0.1693 -0.0066 507 CLA c CAB ? ? 1 +58330 C CBB . CLA HI . 0.5572 1.0561 0.9639 0.1222 0.1606 -0.0068 507 CLA c CBB ? ? 1 +58331 N NC . CLA HI . 0.5631 1.1223 1.0252 0.1225 0.2064 -0.0051 507 CLA c NC ? ? 1 +58332 C C1C . CLA HI . 0.5623 1.1158 1.0204 0.1273 0.1999 -0.0073 507 CLA c C1C ? ? 1 +58333 C C2C . CLA HI . 0.5577 1.1229 1.0304 0.1332 0.2012 -0.0101 507 CLA c C2C ? ? 1 +58334 C C3C . CLA HI . 0.5542 1.1351 1.0424 0.1319 0.2101 -0.0099 507 CLA c C3C ? ? 1 +58335 C C4C . CLA HI . 0.5594 1.1343 1.0386 0.1254 0.2130 -0.0068 507 CLA c C4C ? ? 1 +58336 C CMC . CLA HI . 0.5584 1.1199 1.0299 0.1392 0.1951 -0.0127 507 CLA c CMC ? ? 1 +58337 C CAC . CLA HI . 0.5484 1.1463 1.0556 0.1366 0.2152 -0.0125 507 CLA c CAC ? ? 1 +58338 C CBC . CLA HI . 0.5295 1.1449 1.0592 0.1331 0.2119 -0.0117 507 CLA c CBC ? ? 1 +58339 N ND . CLA HI . 0.5602 1.1301 1.0320 0.1110 0.2150 0.0000 507 CLA c ND ? ? 1 +58340 C C1D . CLA HI . 0.5599 1.1441 1.0467 0.1148 0.2234 -0.0024 507 CLA c C1D ? ? 1 +58341 C C2D . CLA HI . 0.5581 1.1539 1.0564 0.1102 0.2323 -0.0009 507 CLA c C2D ? ? 1 +58342 C C3D . CLA HI . 0.5605 1.1452 1.0462 0.1042 0.2295 0.0025 507 CLA c C3D ? ? 1 +58343 C C4D . CLA HI . 0.5638 1.1342 1.0343 0.1056 0.2208 0.0026 507 CLA c C4D ? ? 1 +58344 C CMD . CLA HI . 0.5539 1.1675 1.0711 0.1106 0.2419 -0.0023 507 CLA c CMD ? ? 1 +58345 C CAD . CLA HI . 0.5639 1.1471 1.0472 0.0973 0.2334 0.0059 507 CLA c CAD ? ? 1 +58346 O OBD . CLA HI . 0.5658 1.1595 1.0601 0.0942 0.2421 0.0065 507 CLA c OBD ? ? 1 +58347 C CBD . CLA HI . 0.5681 1.1348 1.0330 0.0948 0.2258 0.0082 507 CLA c CBD ? ? 1 +58348 C CGD . CLA HI . 0.5882 1.1409 1.0327 0.0955 0.2329 0.0090 507 CLA c CGD ? ? 1 +58349 O O1D . CLA HI . 0.5935 1.1385 1.0282 0.0910 0.2341 0.0119 507 CLA c O1D ? ? 1 +58350 O O2D . CLA HI . 0.6020 1.1498 1.0377 0.1021 0.2388 0.0063 507 CLA c O2D ? ? 1 +58351 C CED . CLA HI . 0.6230 1.1602 1.0419 0.1031 0.2479 0.0067 507 CLA c CED ? ? 1 +58352 C C1 . CLA HI . 0.6460 1.2195 1.1396 0.0810 0.1699 0.0127 507 CLA c C1 ? ? 1 +58353 C C2 . CLA HI . 0.6744 1.2659 1.1901 0.0812 0.1725 0.0117 507 CLA c C2 ? ? 1 +58354 C C3 . CLA HI . 0.7364 1.3383 1.2643 0.0765 0.1767 0.0133 507 CLA c C3 ? ? 1 +58355 C C4 . CLA HI . 0.7273 1.3229 1.2468 0.0710 0.1794 0.0164 507 CLA c C4 ? ? 1 +58356 C C5 . CLA HI . 0.8155 1.4358 1.3659 0.0769 0.1788 0.0118 507 CLA c C5 ? ? 1 +58357 C C6 . CLA HI . 0.8742 1.5013 1.4365 0.0738 0.1699 0.0127 507 CLA c C6 ? ? 1 +58358 C C7 . CLA HI . 0.9472 1.5701 1.5068 0.0782 0.1616 0.0109 507 CLA c C7 ? ? 1 +58359 C C8 . CLA HI . 1.0179 1.6449 1.5862 0.0754 0.1520 0.0118 507 CLA c C8 ? ? 1 +58360 C C9 . CLA HI . 1.0059 1.6417 1.5862 0.0689 0.1506 0.0140 507 CLA c C9 ? ? 1 +58361 C C10 . CLA HI . 1.0802 1.7027 1.6454 0.0806 0.1451 0.0096 507 CLA c C10 ? ? 1 +58362 C C11 . CLA HI . 1.0971 1.7304 1.6776 0.0827 0.1399 0.0082 507 CLA c C11 ? ? 1 +58363 C C12 . CLA HI . 1.1284 1.7515 1.6989 0.0878 0.1344 0.0065 507 CLA c C12 ? ? 1 +58364 C C13 . CLA HI . 1.0852 1.7105 1.6623 0.0883 0.1255 0.0061 507 CLA c C13 ? ? 1 +58365 C C14 . CLA HI . 1.0627 1.6828 1.6363 0.0823 0.1187 0.0086 507 CLA c C14 ? ? 1 +58366 C C15 . CLA HI . 1.0410 1.6566 1.6085 0.0941 0.1219 0.0041 507 CLA c C15 ? ? 1 +58367 C C16 . CLA HI . 1.0051 1.6243 1.5745 0.1010 0.1281 0.0013 507 CLA c C16 ? ? 1 +58368 C C17 . CLA HI . 0.9706 1.6035 1.5572 0.1042 0.1266 -0.0001 507 CLA c C17 ? ? 1 +58369 C C18 . CLA HI . 0.9795 1.6283 1.5813 0.1058 0.1341 -0.0013 507 CLA c C18 ? ? 1 +58370 C C19 . CLA HI . 0.9444 1.6092 1.5659 0.1045 0.1314 -0.0014 507 CLA c C19 ? ? 1 +58371 C C20 . CLA HI . 0.9926 1.6423 1.5911 0.1078 0.1441 -0.0023 507 CLA c C20 ? ? 1 +58372 C C1 . BCR HJ . 0.5662 1.0162 1.1054 -0.1682 -0.1145 -0.1226 405 BCR d C1 ? ? 1 +58373 C C2 . BCR HJ . 0.5592 1.0153 1.1121 -0.1752 -0.1093 -0.1217 405 BCR d C2 ? ? 1 +58374 C C3 . BCR HJ . 0.5637 1.0049 1.1088 -0.1763 -0.1010 -0.1179 405 BCR d C3 ? ? 1 +58375 C C4 . BCR HJ . 0.5552 0.9909 1.0903 -0.1663 -0.0974 -0.1109 405 BCR d C4 ? ? 1 +58376 C C5 . BCR HJ . 0.5552 0.9890 1.0797 -0.1583 -0.1024 -0.1109 405 BCR d C5 ? ? 1 +58377 C C6 . BCR HJ . 0.5606 0.9995 1.0859 -0.1593 -0.1100 -0.1163 405 BCR d C6 ? ? 1 +58378 C C7 . BCR HJ . 0.5611 0.9972 1.0751 -0.1517 -0.1146 -0.1163 405 BCR d C7 ? ? 1 +58379 C C8 . BCR HJ . 0.5652 0.9882 1.0635 -0.1448 -0.1121 -0.1132 405 BCR d C8 ? ? 1 +58380 C C9 . BCR HJ . 0.5653 0.9869 1.0535 -0.1370 -0.1159 -0.1126 405 BCR d C9 ? ? 1 +58381 C C10 . BCR HJ . 0.5715 0.9780 1.0433 -0.1311 -0.1125 -0.1101 405 BCR d C10 ? ? 1 +58382 C C11 . BCR HJ . 0.5751 0.9778 1.0352 -0.1229 -0.1144 -0.1086 405 BCR d C11 ? ? 1 +58383 C C33 . BCR HJ . 0.5526 0.9792 1.0667 -0.1493 -0.0980 -0.1044 405 BCR d C33 ? ? 1 +58384 C C31 . BCR HJ . 0.5864 1.0245 1.1174 -0.1740 -0.1176 -0.1293 405 BCR d C31 ? ? 1 +58385 C C32 . BCR HJ . 0.5571 1.0245 1.1052 -0.1648 -0.1219 -0.1241 405 BCR d C32 ? ? 1 +58386 C C34 . BCR HJ . 0.5574 0.9928 1.0513 -0.1345 -0.1233 -0.1146 405 BCR d C34 ? ? 1 +58387 C C12 . BCR HJ . 0.5847 0.9728 1.0298 -0.1175 -0.1102 -0.1061 405 BCR d C12 ? ? 1 +58388 C C13 . BCR HJ . 0.5878 0.9718 1.0213 -0.1087 -0.1103 -0.1035 405 BCR d C13 ? ? 1 +58389 C C14 . BCR HJ . 0.5975 0.9668 1.0173 -0.1039 -0.1051 -0.1009 405 BCR d C14 ? ? 1 +58390 C C15 . BCR HJ . 0.6034 0.9676 1.0117 -0.0954 -0.1036 -0.0980 405 BCR d C15 ? ? 1 +58391 C C16 . BCR HJ . 0.6138 0.9654 1.0105 -0.0902 -0.0980 -0.0950 405 BCR d C16 ? ? 1 +58392 C C17 . BCR HJ . 0.6234 0.9718 1.0103 -0.0816 -0.0961 -0.0919 405 BCR d C17 ? ? 1 +58393 C C18 . BCR HJ . 0.6380 0.9758 1.0150 -0.0756 -0.0900 -0.0884 405 BCR d C18 ? ? 1 +58394 C C19 . BCR HJ . 0.6514 0.9885 1.0201 -0.0673 -0.0888 -0.0857 405 BCR d C19 ? ? 1 +58395 C C20 . BCR HJ . 0.6728 1.0016 1.0321 -0.0606 -0.0833 -0.0824 405 BCR d C20 ? ? 1 +58396 C C21 . BCR HJ . 0.6879 1.0191 1.0419 -0.0529 -0.0819 -0.0794 405 BCR d C21 ? ? 1 +58397 C C22 . BCR HJ . 0.7134 1.0378 1.0587 -0.0456 -0.0764 -0.0762 405 BCR d C22 ? ? 1 +58398 C C23 . BCR HJ . 0.7472 1.0776 1.0905 -0.0391 -0.0756 -0.0731 405 BCR d C23 ? ? 1 +58399 C C24 . BCR HJ . 0.7995 1.1241 1.1335 -0.0318 -0.0710 -0.0707 405 BCR d C24 ? ? 1 +58400 C C25 . BCR HJ . 0.8469 1.1785 1.1803 -0.0254 -0.0690 -0.0669 405 BCR d C25 ? ? 1 +58401 C C26 . BCR HJ . 0.8677 1.2137 1.2131 -0.0253 -0.0693 -0.0634 405 BCR d C26 ? ? 1 +58402 C C27 . BCR HJ . 0.8698 1.2215 1.2129 -0.0190 -0.0676 -0.0601 405 BCR d C27 ? ? 1 +58403 C C28 . BCR HJ . 0.8829 1.2253 1.2101 -0.0155 -0.0695 -0.0630 405 BCR d C28 ? ? 1 +58404 C C29 . BCR HJ . 0.8876 1.2154 1.2031 -0.0134 -0.0661 -0.0648 405 BCR d C29 ? ? 1 +58405 C C30 . BCR HJ . 0.8900 1.2111 1.2073 -0.0194 -0.0675 -0.0681 405 BCR d C30 ? ? 1 +58406 C C35 . BCR HJ . 0.5814 0.9770 1.0172 -0.1041 -0.1156 -0.1032 405 BCR d C35 ? ? 1 +58407 C C36 . BCR HJ . 0.6350 0.9627 1.0106 -0.0781 -0.0847 -0.0875 405 BCR d C36 ? ? 1 +58408 C C37 . BCR HJ . 0.7120 1.0233 1.0509 -0.0452 -0.0716 -0.0761 405 BCR d C37 ? ? 1 +58409 C C38 . BCR HJ . 0.8604 1.2177 1.2218 -0.0311 -0.0711 -0.0624 405 BCR d C38 ? ? 1 +58410 C C39 . BCR HJ . 0.8993 1.2119 1.2068 -0.0228 -0.0736 -0.0741 405 BCR d C39 ? ? 1 +58411 C C40 . BCR HJ . 0.8988 1.2091 1.2095 -0.0157 -0.0613 -0.0670 405 BCR d C40 ? ? 1 +58412 C C1B . LMT HK . 1.3366 1.9954 2.0325 -0.0157 -0.0319 0.0374 101 LMT t C1B ? ? 1 +58413 O O1B . LMT HK . 1.4018 2.0607 2.0986 -0.0187 -0.0307 0.0380 101 LMT t O1B ? ? 1 +58414 O O5B . LMT HK . 1.2122 1.8693 1.9063 -0.0150 -0.0335 0.0372 101 LMT t O5B ? ? 1 +58415 C C1' . LMT HK . 1.1766 1.8456 1.8842 -0.0237 -0.0275 0.0390 101 LMT t C1' ? ? 1 +58416 C C2' . LMT HK . 1.2180 1.8877 1.9268 -0.0237 -0.0290 0.0386 101 LMT t C2' ? ? 1 +58417 C C3' . LMT HK . 1.2818 1.9470 1.9860 -0.0226 -0.0299 0.0384 101 LMT t C3' ? ? 1 +58418 C C4' . LMT HK . 1.3896 2.0534 2.0914 -0.0200 -0.0299 0.0381 101 LMT t C4' ? ? 1 +58419 C C5' . LMT HK . 1.3901 2.0526 2.0904 -0.0207 -0.0283 0.0384 101 LMT t C5' ? ? 1 +58420 C C6' . LMT HK . 1.4170 2.0769 2.1139 -0.0183 -0.0280 0.0382 101 LMT t C6' ? ? 1 +58421 O O1' . LMT HK . 1.0152 1.6883 1.7268 -0.0241 -0.0265 0.0391 101 LMT t O1' ? ? 1 +58422 O O2' . LMT HK . 1.1127 1.7829 1.8231 -0.0259 -0.0290 0.0389 101 LMT t O2' ? ? 1 +58423 O O3' . LMT HK . 1.2747 1.9404 1.9795 -0.0222 -0.0314 0.0379 101 LMT t O3' ? ? 1 +58424 O O5' . LMT HK . 1.3265 1.9935 2.0312 -0.0215 -0.0274 0.0386 101 LMT t O5' ? ? 1 +58425 O O6' . LMT HK . 1.3835 2.0426 2.0793 -0.0189 -0.0266 0.0384 101 LMT t O6' ? ? 1 +58426 C C1 . LMT HK . 0.8676 1.5413 1.5807 -0.0263 -0.0259 0.0397 101 LMT t C1 ? ? 1 +58427 C C2 . LMT HK . 0.8377 1.5119 1.5507 -0.0265 -0.0242 0.0402 101 LMT t C2 ? ? 1 +58428 C C3 . LMT HK . 0.8216 1.4935 1.5325 -0.0280 -0.0240 0.0409 101 LMT t C3 ? ? 1 +58429 C C4 . LMT HK . 0.8449 1.5162 1.5541 -0.0278 -0.0225 0.0414 101 LMT t C4 ? ? 1 +58430 C C5 . LMT HK . 0.8833 1.5518 1.5895 -0.0287 -0.0229 0.0419 101 LMT t C5 ? ? 1 +58431 C C6 . LMT HK . 0.8895 1.5572 1.5937 -0.0286 -0.0216 0.0426 101 LMT t C6 ? ? 1 +58432 C C7 . LMT HK . 0.8658 1.5309 1.5657 -0.0276 -0.0215 0.0423 101 LMT t C7 ? ? 1 +58433 C C8 . LMT HK . 0.8341 1.4975 1.5309 -0.0275 -0.0205 0.0429 101 LMT t C8 ? ? 1 +58434 C C9 . LMT HK . 0.7774 1.4396 1.4732 -0.0284 -0.0218 0.0433 101 LMT t C9 ? ? 1 +58435 C C10 . LMT HK . 0.7409 1.4001 1.4318 -0.0278 -0.0223 0.0433 101 LMT t C10 ? ? 1 +58436 C C11 . LMT HK . 0.7091 1.3667 1.3978 -0.0276 -0.0236 0.0422 101 LMT t C11 ? ? 1 +58437 C C12 . LMT HK . 0.6967 1.3514 1.3803 -0.0269 -0.0241 0.0419 101 LMT t C12 ? ? 1 +58438 C C1 . GOL HL . 0.4462 1.1808 1.2437 -0.0706 0.0279 0.0039 411 GOL A C1 ? ? 1 +58439 O O1 . GOL HL . 0.4395 1.1686 1.2314 -0.0712 0.0241 0.0055 411 GOL A O1 ? ? 1 +58440 C C2 . GOL HL . 0.4382 1.1640 1.2269 -0.0713 0.0332 0.0055 411 GOL A C2 ? ? 1 +58441 O O2 . GOL HL . 0.4810 1.2117 1.2759 -0.0744 0.0391 0.0032 411 GOL A O2 ? ? 1 +58442 C C3 . GOL HL . 0.4222 1.1364 1.1997 -0.0736 0.0340 0.0080 411 GOL A C3 ? ? 1 +58443 O O3 . GOL HL . 0.4002 1.1096 1.1716 -0.0704 0.0285 0.0103 411 GOL A O3 ? ? 1 +58444 C C1 . BCR HM . 0.1420 0.8152 0.8589 -0.0333 -0.0233 0.0427 617 BCR B C1 ? ? 1 +58445 C C2 . BCR HM . 0.1419 0.8141 0.8581 -0.0331 -0.0250 0.0421 617 BCR B C2 ? ? 1 +58446 C C3 . BCR HM . 0.1449 0.8150 0.8593 -0.0334 -0.0255 0.0425 617 BCR B C3 ? ? 1 +58447 C C4 . BCR HM . 0.1471 0.8159 0.8586 -0.0328 -0.0253 0.0428 617 BCR B C4 ? ? 1 +58448 C C5 . BCR HM . 0.1494 0.8183 0.8602 -0.0325 -0.0238 0.0435 617 BCR B C5 ? ? 1 +58449 C C6 . BCR HM . 0.1418 0.8128 0.8552 -0.0328 -0.0227 0.0435 617 BCR B C6 ? ? 1 +58450 C C7 . BCR HM . 0.1355 0.8069 0.8487 -0.0327 -0.0207 0.0440 617 BCR B C7 ? ? 1 +58451 C C8 . BCR HM . 0.1352 0.8045 0.8459 -0.0330 -0.0195 0.0450 617 BCR B C8 ? ? 1 +58452 C C9 . BCR HM . 0.1356 0.8050 0.8456 -0.0329 -0.0172 0.0455 617 BCR B C9 ? ? 1 +58453 C C10 . BCR HM . 0.1332 0.8002 0.8410 -0.0335 -0.0157 0.0466 617 BCR B C10 ? ? 1 +58454 C C11 . BCR HM . 0.1311 0.7971 0.8370 -0.0335 -0.0130 0.0474 617 BCR B C11 ? ? 1 +58455 C C33 . BCR HM . 0.1476 0.8144 0.8548 -0.0319 -0.0237 0.0439 617 BCR B C33 ? ? 1 +58456 C C31 . BCR HM . 0.1438 0.8174 0.8630 -0.0347 -0.0227 0.0430 617 BCR B C31 ? ? 1 +58457 C C32 . BCR HM . 0.1474 0.8232 0.8662 -0.0324 -0.0229 0.0420 617 BCR B C32 ? ? 1 +58458 C C34 . BCR HM . 0.1371 0.8089 0.8483 -0.0319 -0.0162 0.0448 617 BCR B C34 ? ? 1 +58459 C C12 . BCR HM . 0.1323 0.7949 0.8351 -0.0342 -0.0114 0.0486 617 BCR B C12 ? ? 1 +58460 C C13 . BCR HM . 0.1351 0.7955 0.8344 -0.0340 -0.0086 0.0495 617 BCR B C13 ? ? 1 +58461 C C14 . BCR HM . 0.1366 0.7924 0.8317 -0.0346 -0.0071 0.0510 617 BCR B C14 ? ? 1 +58462 C C15 . BCR HM . 0.1403 0.7926 0.8305 -0.0344 -0.0044 0.0521 617 BCR B C15 ? ? 1 +58463 C C16 . BCR HM . 0.1450 0.7918 0.8301 -0.0347 -0.0028 0.0537 617 BCR B C16 ? ? 1 +58464 C C17 . BCR HM . 0.1501 0.7929 0.8296 -0.0345 0.0003 0.0549 617 BCR B C17 ? ? 1 +58465 C C18 . BCR HM . 0.1568 0.7928 0.8296 -0.0345 0.0017 0.0566 617 BCR B C18 ? ? 1 +58466 C C19 . BCR HM . 0.1631 0.7949 0.8297 -0.0341 0.0051 0.0577 617 BCR B C19 ? ? 1 +58467 C C20 . BCR HM . 0.1725 0.7967 0.8308 -0.0336 0.0066 0.0596 617 BCR B C20 ? ? 1 +58468 C C21 . BCR HM . 0.1841 0.8042 0.8358 -0.0330 0.0099 0.0605 617 BCR B C21 ? ? 1 +58469 C C22 . BCR HM . 0.1987 0.8103 0.8403 -0.0319 0.0113 0.0624 617 BCR B C22 ? ? 1 +58470 C C23 . BCR HM . 0.2093 0.8178 0.8453 -0.0316 0.0153 0.0631 617 BCR B C23 ? ? 1 +58471 C C24 . BCR HM . 0.2256 0.8254 0.8516 -0.0310 0.0179 0.0651 617 BCR B C24 ? ? 1 +58472 C C25 . BCR HM . 0.2396 0.8352 0.8586 -0.0306 0.0222 0.0660 617 BCR B C25 ? ? 1 +58473 C C26 . BCR HM . 0.2412 0.8397 0.8598 -0.0291 0.0224 0.0648 617 BCR B C26 ? ? 1 +58474 C C27 . BCR HM . 0.2506 0.8456 0.8631 -0.0290 0.0278 0.0655 617 BCR B C27 ? ? 1 +58475 C C28 . BCR HM . 0.2629 0.8483 0.8660 -0.0297 0.0318 0.0680 617 BCR B C28 ? ? 1 +58476 C C29 . BCR HM . 0.2597 0.8453 0.8681 -0.0329 0.0333 0.0688 617 BCR B C29 ? ? 1 +58477 C C30 . BCR HM . 0.2517 0.8393 0.8641 -0.0322 0.0272 0.0682 617 BCR B C30 ? ? 1 +58478 C C35 . BCR HM . 0.1342 0.7967 0.8337 -0.0331 -0.0070 0.0490 617 BCR B C35 ? ? 1 +58479 C C36 . BCR HM . 0.1556 0.7883 0.8272 -0.0346 -0.0004 0.0573 617 BCR B C36 ? ? 1 +58480 C C37 . BCR HM . 0.2030 0.8091 0.8398 -0.0307 0.0082 0.0634 617 BCR B C37 ? ? 1 +58481 C C38 . BCR HM . 0.2295 0.8345 0.8533 -0.0274 0.0176 0.0627 617 BCR B C38 ? ? 1 +58482 C C39 . BCR HM . 0.2480 0.8386 0.8687 -0.0360 0.0293 0.0683 617 BCR B C39 ? ? 1 +58483 C C40 . BCR HM . 0.2617 0.8395 0.8625 -0.0295 0.0245 0.0700 617 BCR B C40 ? ? 1 +58484 MG MG . CLA HN . 0.4887 0.8552 1.0236 0.1514 -0.0199 0.0094 512 CLA C MG ? ? 1 +58485 C CHA . CLA HN . 0.5375 0.8652 1.0443 0.1698 -0.0241 0.0128 512 CLA C CHA ? ? 1 +58486 C CHB . CLA HN . 0.5034 0.8736 1.0413 0.1673 -0.0150 0.0011 512 CLA C CHB ? ? 1 +58487 C CHC . CLA HN . 0.4596 0.8437 1.0074 0.1301 -0.0141 0.0061 512 CLA C CHC ? ? 1 +58488 C CHD . CLA HN . 0.4865 0.8338 1.0083 0.1313 -0.0217 0.0173 512 CLA C CHD ? ? 1 +58489 N NA . CLA HN . 0.5161 0.8675 1.0405 0.1653 -0.0196 0.0072 512 CLA C NA ? ? 1 +58490 C C1A . CLA HN . 0.5328 0.8706 1.0473 0.1721 -0.0217 0.0088 512 CLA C C1A ? ? 1 +58491 C C2A . CLA HN . 0.5486 0.8826 1.0604 0.1835 -0.0215 0.0064 512 CLA C C2A ? ? 1 +58492 C C3A . CLA HN . 0.5367 0.8827 1.0574 0.1820 -0.0182 0.0027 512 CLA C C3A ? ? 1 +58493 C C4A . CLA HN . 0.5169 0.8736 1.0452 0.1707 -0.0176 0.0037 512 CLA C C4A ? ? 1 +58494 C CMA . CLA HN . 0.5311 0.8945 1.0639 0.1914 -0.0187 0.0001 512 CLA C CMA ? ? 1 +58495 C CAA . CLA HN . 0.5777 0.8867 1.0721 0.1878 -0.0212 0.0070 512 CLA C CAA ? ? 1 +58496 C CBA . CLA HN . 0.5891 0.8823 1.0736 0.1782 -0.0185 0.0073 512 CLA C CBA ? ? 1 +58497 C CGA . CLA HN . 0.6175 0.8849 1.0842 0.1810 -0.0183 0.0084 512 CLA C CGA ? ? 1 +58498 O O1A . CLA HN . 0.6326 0.8916 1.0928 0.1908 -0.0198 0.0087 512 CLA C O1A ? ? 1 +58499 O O2A . CLA HN . 0.6335 0.8851 1.0904 0.1713 -0.0162 0.0090 512 CLA C O2A ? ? 1 +58500 N NB . CLA HN . 0.4819 0.8565 1.0229 0.1486 -0.0153 0.0046 512 CLA C NB ? ? 1 +58501 C C1B . CLA HN . 0.4879 0.8649 1.0305 0.1560 -0.0136 0.0015 512 CLA C C1B ? ? 1 +58502 C C2B . CLA HN . 0.4801 0.8642 1.0276 0.1524 -0.0101 -0.0016 512 CLA C C2B ? ? 1 +58503 C C3B . CLA HN . 0.4682 0.8557 1.0180 0.1414 -0.0102 0.0001 512 CLA C C3B ? ? 1 +58504 C C4B . CLA HN . 0.4698 0.8524 1.0164 0.1402 -0.0134 0.0037 512 CLA C C4B ? ? 1 +58505 C CMB . CLA HN . 0.4844 0.8712 1.0335 0.1586 -0.0072 -0.0053 512 CLA C CMB ? ? 1 +58506 C CAB . CLA HN . 0.4580 0.8537 1.0130 0.1334 -0.0079 -0.0013 512 CLA C CAB ? ? 1 +58507 C CBB . CLA HN . 0.4528 0.8590 1.0145 0.1353 -0.0053 -0.0043 512 CLA C CBB ? ? 1 +58508 N NC . CLA HN . 0.4763 0.8419 1.0112 0.1348 -0.0185 0.0112 512 CLA C NC ? ? 1 +58509 C C1C . CLA HN . 0.4633 0.8380 1.0048 0.1277 -0.0164 0.0096 512 CLA C C1C ? ? 1 +58510 C C2C . CLA HN . 0.4565 0.8298 0.9974 0.1169 -0.0163 0.0113 512 CLA C C2C ? ? 1 +58511 C C3C . CLA HN . 0.4645 0.8275 0.9982 0.1172 -0.0183 0.0146 512 CLA C C3C ? ? 1 +58512 C C4C . CLA HN . 0.4745 0.8339 1.0052 0.1282 -0.0196 0.0143 512 CLA C C4C ? ? 1 +58513 C CMC . CLA HN . 0.4453 0.8262 0.9916 0.1079 -0.0146 0.0102 512 CLA C CMC ? ? 1 +58514 C CAC . CLA HN . 0.4640 0.8218 0.9946 0.1086 -0.0189 0.0175 512 CLA C CAC ? ? 1 +58515 C CBC . CLA HN . 0.4802 0.8173 0.9976 0.1046 -0.0175 0.0180 512 CLA C CBC ? ? 1 +58516 N ND . CLA HN . 0.5078 0.8482 1.0245 0.1492 -0.0216 0.0137 512 CLA C ND ? ? 1 +58517 C C1D . CLA HN . 0.5021 0.8411 1.0176 0.1420 -0.0229 0.0171 512 CLA C C1D ? ? 1 +58518 C C2D . CLA HN . 0.5179 0.8433 1.0230 0.1464 -0.0251 0.0202 512 CLA C C2D ? ? 1 +58519 C C3D . CLA HN . 0.5303 0.8517 1.0323 0.1577 -0.0258 0.0183 512 CLA C C3D ? ? 1 +58520 C C4D . CLA HN . 0.5234 0.8551 1.0333 0.1587 -0.0238 0.0148 512 CLA C C4D ? ? 1 +58521 C CMD . CLA HN . 0.5225 0.8394 1.0210 0.1422 -0.0265 0.0241 512 CLA C CMD ? ? 1 +58522 C CAD . CLA HN . 0.5486 0.8585 1.0416 0.1686 -0.0278 0.0190 512 CLA C CAD ? ? 1 +58523 O OBD . CLA HN . 0.5584 0.8567 1.0421 0.1707 -0.0298 0.0222 512 CLA C OBD ? ? 1 +58524 C CBD . CLA HN . 0.5537 0.8678 1.0500 0.1771 -0.0269 0.0154 512 CLA C CBD ? ? 1 +58525 C CGD . CLA HN . 0.5529 0.8790 1.0563 0.1874 -0.0302 0.0151 512 CLA C CGD ? ? 1 +58526 O O1D . CLA HN . 0.5360 0.8818 1.0527 0.1871 -0.0317 0.0147 512 CLA C O1D ? ? 1 +58527 O O2D . CLA HN . 0.5771 0.8905 1.0708 0.1985 -0.0319 0.0151 512 CLA C O2D ? ? 1 +58528 C CED . CLA HN . 0.5789 0.9026 1.0785 0.2089 -0.0356 0.0148 512 CLA C CED ? ? 1 +58529 C C1 . CLA HN . 0.6585 0.8881 1.1007 0.1735 -0.0146 0.0079 512 CLA C C1 ? ? 1 +58530 C C2 . CLA HN . 0.6593 0.8835 1.0991 0.1627 -0.0119 0.0065 512 CLA C C2 ? ? 1 +58531 C C3 . CLA HN . 0.6770 0.8861 1.1070 0.1633 -0.0097 0.0040 512 CLA C C3 ? ? 1 +58532 C C4 . CLA HN . 0.6960 0.8927 1.1169 0.1749 -0.0096 0.0027 512 CLA C C4 ? ? 1 +58533 C C5 . CLA HN . 0.6767 0.8815 1.1048 0.1524 -0.0075 0.0023 512 CLA C C5 ? ? 1 +58534 C C6 . CLA HN . 0.6715 0.8860 1.1056 0.1540 -0.0055 -0.0018 512 CLA C C6 ? ? 1 +58535 C C7 . CLA HN . 0.6547 0.8933 1.1042 0.1590 -0.0063 -0.0022 512 CLA C C7 ? ? 1 +58536 C C8 . CLA HN . 0.6463 0.8985 1.1044 0.1600 -0.0041 -0.0059 512 CLA C C8 ? ? 1 +58537 C C9 . CLA HN . 0.6444 0.9089 1.1101 0.1713 -0.0038 -0.0077 512 CLA C C9 ? ? 1 +58538 C C10 . CLA HN . 0.6398 0.8933 1.0987 0.1501 -0.0021 -0.0079 512 CLA C C10 ? ? 1 +58539 C C11 . CLA HN . 0.6393 0.9012 1.1026 0.1538 0.0006 -0.0119 512 CLA C C11 ? ? 1 +58540 C C12 . CLA HN . 0.6447 0.8969 1.1009 0.1470 0.0026 -0.0145 512 CLA C C12 ? ? 1 +58541 C C13 . CLA HN . 0.6389 0.9016 1.1005 0.1499 0.0054 -0.0181 512 CLA C C13 ? ? 1 +58542 C C14 . CLA HN . 0.6339 0.8955 1.0938 0.1401 0.0065 -0.0199 512 CLA C C14 ? ? 1 +58543 C C15 . CLA HN . 0.6570 0.9083 1.1103 0.1599 0.0071 -0.0207 512 CLA C C15 ? ? 1 +58544 C C16 . CLA HN . 0.6512 0.9148 1.1112 0.1653 0.0101 -0.0241 512 CLA C C16 ? ? 1 +58545 C C17 . CLA HN . 0.6706 0.9214 1.1216 0.1758 0.0116 -0.0262 512 CLA C C17 ? ? 1 +58546 C C18 . CLA HN . 0.6711 0.9328 1.1280 0.1828 0.0149 -0.0298 512 CLA C C18 ? ? 1 +58547 C C19 . CLA HN . 0.6934 0.9397 1.1388 0.1905 0.0173 -0.0329 512 CLA C C19 ? ? 1 +58548 C C20 . CLA HN . 0.6511 0.9372 1.1238 0.1804 0.0165 -0.0304 512 CLA C C20 ? ? 1 +58549 C C1B . LMT HO . 1.7845 2.1010 2.2807 -0.0859 -0.0760 -0.0789 101 LMT F C1B ? ? 1 +58550 C C2B . LMT HO . 1.8375 2.1570 2.3276 -0.0818 -0.0797 -0.0814 101 LMT F C2B ? ? 1 +58551 C C3B . LMT HO . 1.8269 2.1608 2.3230 -0.0771 -0.0787 -0.0772 101 LMT F C3B ? ? 1 +58552 C C4B . LMT HO . 1.7747 2.1228 2.2855 -0.0823 -0.0801 -0.0754 101 LMT F C4B ? ? 1 +58553 C C5B . LMT HO . 1.7307 2.0752 2.2469 -0.0860 -0.0762 -0.0730 101 LMT F C5B ? ? 1 +58554 C C6B . LMT HO . 1.6401 1.9977 2.1706 -0.0914 -0.0770 -0.0713 101 LMT F C6B ? ? 1 +58555 O O1B . LMT HO . 1.7000 2.0123 2.1928 -0.0798 -0.0703 -0.0745 101 LMT F O1B ? ? 1 +58556 O O2B . LMT HO . 1.9201 2.2258 2.3962 -0.0769 -0.0780 -0.0830 101 LMT F O2B ? ? 1 +58557 O O3B . LMT HO . 1.8458 2.1821 2.3358 -0.0736 -0.0820 -0.0794 101 LMT F O3B ? ? 1 +58558 O O4' . LMT HO . 1.7163 2.0773 2.2325 -0.0780 -0.0791 -0.0716 101 LMT F O4' ? ? 1 +58559 O O5B . LMT HO . 1.7803 2.1109 2.2904 -0.0906 -0.0771 -0.0770 101 LMT F O5B ? ? 1 +58560 O O6B . LMT HO . 1.5840 1.9380 2.1185 -0.0937 -0.0726 -0.0683 101 LMT F O6B ? ? 1 +58561 C C1' . LMT HO . 1.4360 1.7147 1.9118 -0.0701 -0.0561 -0.0680 101 LMT F C1' ? ? 1 +58562 C C2' . LMT HO . 1.4788 1.7549 1.9461 -0.0674 -0.0591 -0.0720 101 LMT F C2' ? ? 1 +58563 C C3' . LMT HO . 1.5434 1.8338 2.0178 -0.0702 -0.0638 -0.0735 101 LMT F C3' ? ? 1 +58564 C C4' . LMT HO . 1.5713 1.8678 2.0561 -0.0791 -0.0668 -0.0746 101 LMT F C4' ? ? 1 +58565 C C5' . LMT HO . 1.4916 1.7899 1.9841 -0.0811 -0.0628 -0.0702 101 LMT F C5' ? ? 1 +58566 C C6' . LMT HO . 1.4177 1.7207 1.9200 -0.0901 -0.0650 -0.0714 101 LMT F C6' ? ? 1 +58567 O O1' . LMT HO . 1.3732 1.6369 1.8412 -0.0680 -0.0524 -0.0673 101 LMT F O1' ? ? 1 +58568 O O2' . LMT HO . 1.4099 1.6839 1.8706 -0.0587 -0.0557 -0.0701 101 LMT F O2' ? ? 1 +58569 O O3' . LMT HO . 1.5538 1.8387 2.0186 -0.0689 -0.0671 -0.0780 101 LMT F O3' ? ? 1 +58570 O O5' . LMT HO . 1.4768 1.7593 1.9605 -0.0789 -0.0590 -0.0697 101 LMT F O5' ? ? 1 +58571 O O6' . LMT HO . 1.3179 1.6370 1.8327 -0.0909 -0.0645 -0.0676 101 LMT F O6' ? ? 1 +58572 C C1 . LMT HO . 1.3219 1.5864 1.7886 -0.0601 -0.0479 -0.0630 101 LMT F C1 ? ? 1 +58573 C C2 . LMT HO . 1.3096 1.5675 1.7778 -0.0613 -0.0445 -0.0599 101 LMT F C2 ? ? 1 +58574 C C3 . LMT HO . 1.2912 1.5529 1.7609 -0.0539 -0.0404 -0.0550 101 LMT F C3 ? ? 1 +58575 C C4 . LMT HO . 1.2831 1.5369 1.7528 -0.0546 -0.0371 -0.0520 101 LMT F C4 ? ? 1 +58576 C C5 . LMT HO . 1.2545 1.5189 1.7319 -0.0505 -0.0344 -0.0466 101 LMT F C5 ? ? 1 +58577 C C6 . LMT HO . 1.2427 1.4971 1.7174 -0.0494 -0.0310 -0.0435 101 LMT F C6 ? ? 1 +58578 C C7 . LMT HO . 1.2417 1.5063 1.7265 -0.0514 -0.0298 -0.0391 101 LMT F C7 ? ? 1 +58579 C C8 . LMT HO . 1.2641 1.5167 1.7453 -0.0523 -0.0270 -0.0367 101 LMT F C8 ? ? 1 +58580 C C9 . LMT HO . 1.2734 1.5332 1.7600 -0.0483 -0.0245 -0.0315 101 LMT F C9 ? ? 1 +58581 C C10 . LMT HO . 1.2849 1.5302 1.7645 -0.0462 -0.0215 -0.0291 101 LMT F C10 ? ? 1 +58582 C C11 . LMT HO . 1.2650 1.5172 1.7499 -0.0428 -0.0194 -0.0240 101 LMT F C11 ? ? 1 +58583 C C12 . LMT HO . 1.2689 1.5072 1.7448 -0.0365 -0.0166 -0.0217 101 LMT F C12 ? ? 1 +58584 CL CL A CL HP . 0.3400 0.7914 0.8390 0.1064 -0.0082 0.0143 403 CL a CL ? ? 1 +58585 CL CL B CL HP . 0.3510 0.8004 0.8481 0.1083 -0.0080 0.0139 403 CL a CL ? ? 1 +58586 MG MG . CLA HQ . 0.2018 0.8867 0.8741 -0.0244 -0.1132 -0.0121 611 CLA b MG ? ? 1 +58587 C CHA . CLA HQ . 0.2147 0.8826 0.8603 -0.0119 -0.1137 -0.0042 611 CLA b CHA ? ? 1 +58588 C CHB . CLA HQ . 0.1983 0.9028 0.8899 -0.0187 -0.1186 -0.0128 611 CLA b CHB ? ? 1 +58589 C CHC . CLA HQ . 0.1881 0.8857 0.8862 -0.0376 -0.1051 -0.0156 611 CLA b CHC ? ? 1 +58590 C CHD . CLA HQ . 0.2058 0.8695 0.8598 -0.0291 -0.1026 -0.0085 611 CLA b CHD ? ? 1 +58591 N NA . CLA HQ . 0.2050 0.8908 0.8744 -0.0169 -0.1155 -0.0088 611 CLA b NA ? ? 1 +58592 C C1A . CLA HQ . 0.2109 0.8892 0.8690 -0.0124 -0.1158 -0.0060 611 CLA b C1A ? ? 1 +58593 C C2A . CLA HQ . 0.2159 0.8965 0.8734 -0.0072 -0.1195 -0.0051 611 CLA b C2A ? ? 1 +58594 C C3A . CLA HQ . 0.2083 0.9010 0.8804 -0.0090 -0.1218 -0.0083 611 CLA b C3A ? ? 1 +58595 C C4A . CLA HQ . 0.2032 0.8979 0.8816 -0.0154 -0.1184 -0.0101 611 CLA b C4A ? ? 1 +58596 C CMA . CLA HQ . 0.2136 0.9120 0.8877 -0.0066 -0.1297 -0.0125 611 CLA b CMA ? ? 1 +58597 C CAA . CLA HQ . 0.2162 0.8913 0.8686 -0.0042 -0.1152 0.0000 611 CLA b CAA ? ? 1 +58598 C CBA . CLA HQ . 0.2105 0.8884 0.8712 -0.0082 -0.1091 0.0016 611 CLA b CBA ? ? 1 +58599 C CGA . CLA HQ . 0.2152 0.8874 0.8713 -0.0064 -0.1042 0.0065 611 CLA b CGA ? ? 1 +58600 O O1A . CLA HQ . 0.2173 0.8873 0.8693 -0.0022 -0.1051 0.0086 611 CLA b O1A ? ? 1 +58601 O O2A . CLA HQ . 0.2219 0.8914 0.8790 -0.0099 -0.0980 0.0085 611 CLA b O2A ? ? 1 +58602 N NB . CLA HQ . 0.1941 0.8928 0.8856 -0.0277 -0.1118 -0.0136 611 CLA b NB ? ? 1 +58603 C C1B . CLA HQ . 0.1932 0.8998 0.8918 -0.0250 -0.1148 -0.0143 611 CLA b C1B ? ? 1 +58604 C C2B . CLA HQ . 0.1868 0.9036 0.8996 -0.0283 -0.1134 -0.0162 611 CLA b C2B ? ? 1 +58605 C C3B . CLA HQ . 0.1846 0.8985 0.8985 -0.0341 -0.1091 -0.0167 611 CLA b C3B ? ? 1 +58606 C C4B . CLA HQ . 0.1899 0.8932 0.8908 -0.0331 -0.1090 -0.0154 611 CLA b C4B ? ? 1 +58607 C CMB . CLA HQ . 0.1842 0.9108 0.9069 -0.0259 -0.1157 -0.0171 611 CLA b CMB ? ? 1 +58608 C CAB . CLA HQ . 0.1807 0.9002 0.9053 -0.0398 -0.1058 -0.0187 611 CLA b CAB ? ? 1 +58609 C CBB . CLA HQ . 0.1808 0.9110 0.9172 -0.0411 -0.1081 -0.0219 611 CLA b CBB ? ? 1 +58610 N NC . CLA HQ . 0.1963 0.8779 0.8718 -0.0316 -0.1059 -0.0119 611 CLA b NC ? ? 1 +58611 C C1C . CLA HQ . 0.1907 0.8777 0.8765 -0.0366 -0.1036 -0.0136 611 CLA b C1C ? ? 1 +58612 C C2C . CLA HQ . 0.1874 0.8689 0.8713 -0.0408 -0.0987 -0.0131 611 CLA b C2C ? ? 1 +58613 C C3C . CLA HQ . 0.1941 0.8659 0.8653 -0.0380 -0.0982 -0.0111 611 CLA b C3C ? ? 1 +58614 C C4C . CLA HQ . 0.1986 0.8715 0.8658 -0.0329 -0.1027 -0.0107 611 CLA b C4C ? ? 1 +58615 C CMC . CLA HQ . 0.1823 0.8667 0.8746 -0.0463 -0.0950 -0.0142 611 CLA b CMC ? ? 1 +58616 C CAC . CLA HQ . 0.1980 0.8606 0.8613 -0.0396 -0.0941 -0.0098 611 CLA b CAC ? ? 1 +58617 C CBC . CLA HQ . 0.1905 0.8500 0.8528 -0.0387 -0.0883 -0.0053 611 CLA b CBC ? ? 1 +58618 N ND . CLA HQ . 0.2057 0.8762 0.8617 -0.0217 -0.1079 -0.0067 611 CLA b ND ? ? 1 +58619 C C1D . CLA HQ . 0.2092 0.8719 0.8576 -0.0238 -0.1055 -0.0068 611 CLA b C1D ? ? 1 +58620 C C2D . CLA HQ . 0.2190 0.8723 0.8536 -0.0198 -0.1054 -0.0045 611 CLA b C2D ? ? 1 +58621 C C3D . CLA HQ . 0.2190 0.8747 0.8528 -0.0152 -0.1088 -0.0035 611 CLA b C3D ? ? 1 +58622 C C4D . CLA HQ . 0.2129 0.8783 0.8588 -0.0166 -0.1105 -0.0052 611 CLA b C4D ? ? 1 +58623 C CMD . CLA HQ . 0.2262 0.8697 0.8496 -0.0196 -0.1027 -0.0034 611 CLA b CMD ? ? 1 +58624 C CAD . CLA HQ . 0.2248 0.8757 0.8488 -0.0096 -0.1109 -0.0013 611 CLA b CAD ? ? 1 +58625 O OBD . CLA HQ . 0.2305 0.8722 0.8418 -0.0069 -0.1101 0.0005 611 CLA b OBD ? ? 1 +58626 C CBD . CLA HQ . 0.2225 0.8810 0.8538 -0.0072 -0.1145 -0.0018 611 CLA b CBD ? ? 1 +58627 C CGD . CLA HQ . 0.2300 0.8884 0.8559 -0.0036 -0.1215 -0.0043 611 CLA b CGD ? ? 1 +58628 O O1D . CLA HQ . 0.2333 0.8933 0.8595 -0.0052 -0.1254 -0.0082 611 CLA b O1D ? ? 1 +58629 O O2D . CLA HQ . 0.2361 0.8916 0.8553 0.0022 -0.1239 -0.0021 611 CLA b O2D ? ? 1 +58630 C CED . CLA HQ . 0.2481 0.9021 0.8602 0.0060 -0.1309 -0.0046 611 CLA b CED ? ? 1 +58631 C C1 . CLA HQ . 0.2347 0.9000 0.8887 -0.0084 -0.0936 0.0127 611 CLA b C1 ? ? 1 +58632 C C2 . CLA HQ . 0.2401 0.9049 0.8979 -0.0125 -0.0880 0.0139 611 CLA b C2 ? ? 1 +58633 C C3 . CLA HQ . 0.2577 0.9206 0.9159 -0.0124 -0.0835 0.0172 611 CLA b C3 ? ? 1 +58634 C C4 . CLA HQ . 0.2595 0.9200 0.9140 -0.0085 -0.0836 0.0199 611 CLA b C4 ? ? 1 +58635 C C5 . CLA HQ . 0.2774 0.9400 0.9393 -0.0161 -0.0783 0.0183 611 CLA b C5 ? ? 1 +58636 C C6 . CLA HQ . 0.3015 0.9646 0.9649 -0.0198 -0.0780 0.0158 611 CLA b C6 ? ? 1 +58637 C C7 . CLA HQ . 0.3295 0.9941 0.9990 -0.0230 -0.0733 0.0168 611 CLA b C7 ? ? 1 +58638 C C8 . CLA HQ . 0.3666 1.0288 1.0355 -0.0265 -0.0711 0.0157 611 CLA b C8 ? ? 1 +58639 C C9 . CLA HQ . 0.3850 1.0418 1.0459 -0.0264 -0.0725 0.0143 611 CLA b C9 ? ? 1 +58640 C C10 . CLA HQ . 0.3834 1.0486 1.0598 -0.0302 -0.0679 0.0154 611 CLA b C10 ? ? 1 +58641 C C11 . CLA HQ . 0.3944 1.0664 1.0800 -0.0309 -0.0678 0.0153 611 CLA b C11 ? ? 1 +58642 C C12 . CLA HQ . 0.4164 1.0940 1.1096 -0.0344 -0.0691 0.0119 611 CLA b C12 ? ? 1 +58643 C C13 . CLA HQ . 0.4247 1.1080 1.1266 -0.0355 -0.0673 0.0123 611 CLA b C13 ? ? 1 +58644 C C14 . CLA HQ . 0.4317 1.1196 1.1365 -0.0322 -0.0702 0.0124 611 CLA b C14 ? ? 1 +58645 C C15 . CLA HQ . 0.4266 1.1142 1.1357 -0.0398 -0.0669 0.0094 611 CLA b C15 ? ? 1 +58646 C C16 . CLA HQ . 0.4228 1.1149 1.1349 -0.0406 -0.0714 0.0056 611 CLA b C16 ? ? 1 +58647 C C17 . CLA HQ . 0.4233 1.1218 1.1450 -0.0447 -0.0707 0.0028 611 CLA b C17 ? ? 1 +58648 C C18 . CLA HQ . 0.4333 1.1285 1.1528 -0.0484 -0.0707 0.0005 611 CLA b C18 ? ? 1 +58649 C C19 . CLA HQ . 0.4410 1.1394 1.1619 -0.0494 -0.0754 -0.0034 611 CLA b C19 ? ? 1 +58650 C C20 . CLA HQ . 0.4440 1.1335 1.1611 -0.0514 -0.0658 0.0019 611 CLA b C20 ? ? 1 +58651 MG MG . CLA HR . 0.6474 1.1059 1.0011 0.1040 0.1463 0.0008 508 CLA c MG ? ? 1 +58652 C CHA . CLA HR . 0.6223 1.0624 0.9565 0.1182 0.1477 -0.0075 508 CLA c CHA ? ? 1 +58653 C CHB . CLA HR . 0.5633 1.0468 0.9569 0.1031 0.1360 0.0000 508 CLA c CHB ? ? 1 +58654 C CHC . CLA HR . 0.5747 1.0589 0.9558 0.0937 0.1561 0.0081 508 CLA c CHC ? ? 1 +58655 C CHD . CLA HR . 0.6451 1.0805 0.9587 0.1079 0.1642 0.0015 508 CLA c CHD ? ? 1 +58656 N NA . CLA HR . 0.6041 1.0659 0.9669 0.1094 0.1427 -0.0029 508 CLA c NA ? ? 1 +58657 C C1A . CLA HR . 0.6063 1.0591 0.9592 0.1144 0.1427 -0.0059 508 CLA c C1A ? ? 1 +58658 C C2A . CLA HR . 0.5967 1.0526 0.9584 0.1167 0.1376 -0.0078 508 CLA c C2A ? ? 1 +58659 C C3A . CLA HR . 0.5771 1.0457 0.9562 0.1117 0.1333 -0.0053 508 CLA c C3A ? ? 1 +58660 C C4A . CLA HR . 0.5797 1.0517 0.9588 0.1077 0.1377 -0.0026 508 CLA c C4A ? ? 1 +58661 C CMA . CLA HR . 0.5651 1.0477 0.9631 0.1142 0.1350 -0.0059 508 CLA c CMA ? ? 1 +58662 C CAA . CLA HR . 0.6050 1.0460 0.9523 0.1177 0.1302 -0.0101 508 CLA c CAA ? ? 1 +58663 C CBA . CLA HR . 0.5980 1.0410 0.9536 0.1193 0.1246 -0.0117 508 CLA c CBA ? ? 1 +58664 C CGA . CLA HR . 0.6000 1.0502 0.9644 0.1254 0.1305 -0.0133 508 CLA c CGA ? ? 1 +58665 O O1A . CLA HR . 0.6125 1.0599 0.9703 0.1301 0.1376 -0.0147 508 CLA c O1A ? ? 1 +58666 O O2A . CLA HR . 0.5901 1.0509 0.9711 0.1261 0.1274 -0.0132 508 CLA c O2A ? ? 1 +58667 N NB . CLA HR . 0.5798 1.0609 0.9630 0.0994 0.1463 0.0035 508 CLA c NB ? ? 1 +58668 C C1B . CLA HR . 0.5601 1.0491 0.9571 0.0991 0.1408 0.0028 508 CLA c C1B ? ? 1 +58669 C C2B . CLA HR . 0.5391 1.0434 0.9555 0.0954 0.1408 0.0049 508 CLA c C2B ? ? 1 +58670 C C3B . CLA HR . 0.5426 1.0471 0.9556 0.0925 0.1468 0.0072 508 CLA c C3B ? ? 1 +58671 C C4B . CLA HR . 0.5640 1.0537 0.9560 0.0951 0.1497 0.0063 508 CLA c C4B ? ? 1 +58672 C CMB . CLA HR . 0.5223 1.0385 0.9569 0.0945 0.1360 0.0048 508 CLA c CMB ? ? 1 +58673 C CAB . CLA HR . 0.5308 1.0488 0.9600 0.0881 0.1492 0.0097 508 CLA c CAB ? ? 1 +58674 C CBB . CLA HR . 0.5392 1.0593 0.9676 0.0863 0.1567 0.0114 508 CLA c CBB ? ? 1 +58675 N NC . CLA HR . 0.6144 1.0746 0.9638 0.1016 0.1577 0.0040 508 CLA c NC ? ? 1 +58676 C C1C . CLA HR . 0.5968 1.0670 0.9577 0.0971 0.1601 0.0070 508 CLA c C1C ? ? 1 +58677 C C2C . CLA HR . 0.6052 1.0722 0.9579 0.0958 0.1682 0.0090 508 CLA c C2C ? ? 1 +58678 C C3C . CLA HR . 0.6267 1.0792 0.9592 0.1001 0.1705 0.0071 508 CLA c C3C ? ? 1 +58679 C C4C . CLA HR . 0.6268 1.0762 0.9589 0.1031 0.1633 0.0042 508 CLA c C4C ? ? 1 +58680 C CMC . CLA HR . 0.5990 1.0742 0.9604 0.0911 0.1731 0.0123 508 CLA c CMC ? ? 1 +58681 C CAC . CLA HR . 0.6465 1.0891 0.9622 0.1011 0.1785 0.0080 508 CLA c CAC ? ? 1 +58682 C CBC . CLA HR . 0.6507 1.1004 0.9725 0.1045 0.1901 0.0070 508 CLA c CBC ? ? 1 +58683 N ND . CLA HR . 0.6350 1.0772 0.9650 0.1110 0.1537 -0.0023 508 CLA c ND ? ? 1 +58684 C C1D . CLA HR . 0.6448 1.0790 0.9600 0.1122 0.1612 -0.0018 508 CLA c C1D ? ? 1 +58685 C C2D . CLA HR . 0.6588 1.0808 0.9583 0.1180 0.1632 -0.0050 508 CLA c C2D ? ? 1 +58686 C C3D . CLA HR . 0.6488 1.0744 0.9576 0.1201 0.1577 -0.0073 508 CLA c C3D ? ? 1 +58687 C C4D . CLA HR . 0.6325 1.0707 0.9594 0.1164 0.1538 -0.0055 508 CLA c C4D ? ? 1 +58688 C CMD . CLA HR . 0.6820 1.0908 0.9612 0.1218 0.1693 -0.0063 508 CLA c CMD ? ? 1 +58689 C CAD . CLA HR . 0.6537 1.0736 0.9586 0.1253 0.1558 -0.0108 508 CLA c CAD ? ? 1 +58690 O OBD . CLA HR . 0.6723 1.0806 0.9615 0.1301 0.1590 -0.0133 508 CLA c OBD ? ? 1 +58691 C CBD . CLA HR . 0.6360 1.0647 0.9568 0.1242 0.1491 -0.0110 508 CLA c CBD ? ? 1 +58692 C CGD . CLA HR . 0.6325 1.0682 0.9630 0.1300 0.1536 -0.0131 508 CLA c CGD ? ? 1 +58693 O O1D . CLA HR . 0.6400 1.0664 0.9612 0.1347 0.1527 -0.0160 508 CLA c O1D ? ? 1 +58694 O O2D . CLA HR . 0.6178 1.0711 0.9686 0.1301 0.1590 -0.0119 508 CLA c O2D ? ? 1 +58695 C CED . CLA HR . 0.6200 1.0795 0.9783 0.1363 0.1642 -0.0142 508 CLA c CED ? ? 1 +58696 C C1 . CLA HR . 0.5981 1.0653 0.9868 0.1324 0.1323 -0.0150 508 CLA c C1 ? ? 1 +58697 C C2 . CLA HR . 0.5975 1.0784 0.9976 0.1332 0.1411 -0.0139 508 CLA c C2 ? ? 1 +58698 C C3 . CLA HR . 0.5937 1.0903 1.0128 0.1344 0.1429 -0.0135 508 CLA c C3 ? ? 1 +58699 C C4 . CLA HR . 0.5854 1.0860 1.0145 0.1354 0.1361 -0.0140 508 CLA c C4 ? ? 1 +58700 C C5 . CLA HR . 0.5992 1.1089 1.0289 0.1348 0.1521 -0.0127 508 CLA c C5 ? ? 1 +58701 C C6 . CLA HR . 0.5868 1.1151 1.0391 0.1350 0.1528 -0.0122 508 CLA c C6 ? ? 1 +58702 C C7 . CLA HR . 0.5932 1.1328 1.0538 0.1353 0.1628 -0.0118 508 CLA c C7 ? ? 1 +58703 C C8 . CLA HR . 0.5820 1.1410 1.0651 0.1330 0.1640 -0.0106 508 CLA c C8 ? ? 1 +58704 C C9 . CLA HR . 0.5697 1.1372 1.0670 0.1329 0.1566 -0.0107 508 CLA c C9 ? ? 1 +58705 C C10 . CLA HR . 0.5855 1.1534 1.0746 0.1294 0.1725 -0.0091 508 CLA c C10 ? ? 1 +58706 C C11 . CLA HR . 0.5718 1.1542 1.0781 0.1234 0.1719 -0.0068 508 CLA c C11 ? ? 1 +58707 C C12 . CLA HR . 0.5837 1.1684 1.0884 0.1203 0.1810 -0.0054 508 CLA c C12 ? ? 1 +58708 C C13 . CLA HR . 0.5803 1.1789 1.1012 0.1141 0.1824 -0.0032 508 CLA c C13 ? ? 1 +58709 C C14 . CLA HR . 0.5766 1.1928 1.1193 0.1163 0.1819 -0.0047 508 CLA c C14 ? ? 1 +58710 C C15 . CLA HR . 0.5955 1.1957 1.1139 0.1122 0.1929 -0.0023 508 CLA c C15 ? ? 1 +58711 C C16 . CLA HR . 0.5902 1.1960 1.1155 0.1044 0.1933 0.0008 508 CLA c C16 ? ? 1 +58712 C C17 . CLA HR . 0.6040 1.2141 1.1304 0.1028 0.2049 0.0013 508 CLA c C17 ? ? 1 +58713 C C18 . CLA HR . 0.6077 1.2153 1.1311 0.0952 0.2058 0.0049 508 CLA c C18 ? ? 1 +58714 C C19 . CLA HR . 0.6160 1.2324 1.1472 0.0919 0.2167 0.0057 508 CLA c C19 ? ? 1 +58715 C C20 . CLA HR . 0.5991 1.1991 1.1167 0.0904 0.1961 0.0074 508 CLA c C20 ? ? 1 +58716 C C2 A PL9 HS . 0.3276 0.8394 0.7759 0.0170 -0.0211 0.0276 406 PL9 d C2 ? ? 1 +58717 C C2 B PL9 HS . 0.3213 0.8337 0.7704 0.0169 -0.0211 0.0279 406 PL9 d C2 ? ? 1 +58718 C C3 A PL9 HS . 0.3200 0.8370 0.7761 0.0161 -0.0170 0.0308 406 PL9 d C3 ? ? 1 +58719 C C3 B PL9 HS . 0.3144 0.8316 0.7707 0.0160 -0.0171 0.0311 406 PL9 d C3 ? ? 1 +58720 C C4 A PL9 HS . 0.3244 0.8388 0.7754 0.0171 -0.0169 0.0333 406 PL9 d C4 ? ? 1 +58721 C C4 B PL9 HS . 0.3198 0.8339 0.7702 0.0172 -0.0170 0.0336 406 PL9 d C4 ? ? 1 +58722 C C5 A PL9 HS . 0.3388 0.8444 0.7750 0.0197 -0.0206 0.0327 406 PL9 d C5 ? ? 1 +58723 C C5 B PL9 HS . 0.3347 0.8397 0.7698 0.0200 -0.0205 0.0329 406 PL9 d C5 ? ? 1 +58724 C C6 A PL9 HS . 0.3464 0.8473 0.7750 0.0208 -0.0249 0.0294 406 PL9 d C6 ? ? 1 +58725 C C6 B PL9 HS . 0.3415 0.8422 0.7696 0.0209 -0.0249 0.0295 406 PL9 d C6 ? ? 1 +58726 C C1 A PL9 HS . 0.3407 0.8449 0.7757 0.0192 -0.0255 0.0266 406 PL9 d C1 ? ? 1 +58727 C C1 B PL9 HS . 0.3348 0.8393 0.7703 0.0191 -0.0255 0.0268 406 PL9 d C1 ? ? 1 +58728 C C7 A PL9 HS . 0.3077 0.8326 0.7773 0.0140 -0.0128 0.0315 406 PL9 d C7 ? ? 1 +58729 C C7 B PL9 HS . 0.3020 0.8272 0.7720 0.0139 -0.0128 0.0320 406 PL9 d C7 ? ? 1 +58730 C C8 A PL9 HS . 0.2959 0.8283 0.7779 0.0113 -0.0174 0.0302 406 PL9 d C8 ? ? 1 +58731 C C8 B PL9 HS . 0.2905 0.8232 0.7727 0.0112 -0.0174 0.0305 406 PL9 d C8 ? ? 1 +58732 C C9 A PL9 HS . 0.2843 0.8246 0.7786 0.0091 -0.0168 0.0317 406 PL9 d C9 ? ? 1 +58733 C C9 B PL9 HS . 0.2791 0.8196 0.7735 0.0090 -0.0176 0.0318 406 PL9 d C9 ? ? 1 +58734 C C10 A PL9 HS . 0.2813 0.8243 0.7794 0.0089 -0.0114 0.0349 406 PL9 d C10 ? ? 1 +58735 C C10 B PL9 HS . 0.2761 0.8193 0.7741 0.0087 -0.0137 0.0351 406 PL9 d C10 ? ? 1 +58736 C C11 A PL9 HS . 0.2738 0.8205 0.7789 0.0065 -0.0214 0.0301 406 PL9 d C11 ? ? 1 +58737 C C11 B PL9 HS . 0.2689 0.8157 0.7741 0.0064 -0.0218 0.0300 406 PL9 d C11 ? ? 1 +58738 C C12 A PL9 HS . 0.2637 0.8169 0.7802 0.0049 -0.0180 0.0305 406 PL9 d C12 ? ? 1 +58739 C C12 B PL9 HS . 0.2603 0.8127 0.7757 0.0051 -0.0180 0.0302 406 PL9 d C12 ? ? 1 +58740 C C13 A PL9 HS . 0.2571 0.8140 0.7812 0.0027 -0.0221 0.0283 406 PL9 d C13 ? ? 1 +58741 C C13 B PL9 HS . 0.2531 0.8097 0.7768 0.0027 -0.0221 0.0282 406 PL9 d C13 ? ? 1 +58742 C C14 A PL9 HS . 0.2501 0.8110 0.7823 0.0015 -0.0204 0.0278 406 PL9 d C14 ? ? 1 +58743 C C14 B PL9 HS . 0.2457 0.8066 0.7778 0.0015 -0.0204 0.0278 406 PL9 d C14 ? ? 1 +58744 C C15 A PL9 HS . 0.2471 0.8101 0.7827 0.0024 -0.0143 0.0293 406 PL9 d C15 ? ? 1 +58745 C C15 B PL9 HS . 0.2431 0.8060 0.7787 0.0025 -0.0143 0.0293 406 PL9 d C15 ? ? 1 +58746 C C16 A PL9 HS . 0.2451 0.8087 0.7834 -0.0009 -0.0247 0.0257 406 PL9 d C16 ? ? 1 +58747 C C16 B PL9 HS . 0.2401 0.8042 0.7792 -0.0010 -0.0247 0.0258 406 PL9 d C16 ? ? 1 +58748 C C17 A PL9 HS . 0.2448 0.8096 0.7838 -0.0024 -0.0306 0.0246 406 PL9 d C17 ? ? 1 +58749 C C17 B PL9 HS . 0.2407 0.8053 0.7796 -0.0025 -0.0308 0.0244 406 PL9 d C17 ? ? 1 +58750 C C18 A PL9 HS . 0.2385 0.8070 0.7854 -0.0053 -0.0338 0.0227 406 PL9 d C18 ? ? 1 +58751 C C18 B PL9 HS . 0.2340 0.8026 0.7812 -0.0054 -0.0339 0.0227 406 PL9 d C18 ? ? 1 +58752 C C19 A PL9 HS . 0.2293 0.8044 0.7867 -0.0075 -0.0346 0.0235 406 PL9 d C19 ? ? 1 +58753 C C19 B PL9 HS . 0.2252 0.8005 0.7828 -0.0075 -0.0345 0.0236 406 PL9 d C19 ? ? 1 +58754 C C20 A PL9 HS . 0.2216 0.8018 0.7847 -0.0075 -0.0330 0.0263 406 PL9 d C20 ? ? 1 +58755 C C20 B PL9 HS . 0.2175 0.7978 0.7806 -0.0074 -0.0327 0.0265 406 PL9 d C20 ? ? 1 +58756 C C21 A PL9 HS . 0.2266 0.8040 0.7904 -0.0102 -0.0368 0.0215 406 PL9 d C21 ? ? 1 +58757 C C21 B PL9 HS . 0.2226 0.8005 0.7870 -0.0103 -0.0367 0.0217 406 PL9 d C21 ? ? 1 +58758 C C22 A PL9 HS . 0.2218 0.8050 0.7931 -0.0126 -0.0407 0.0212 406 PL9 d C22 ? ? 1 +58759 C C22 B PL9 HS . 0.2187 0.8022 0.7904 -0.0127 -0.0407 0.0213 406 PL9 d C22 ? ? 1 +58760 C C23 A PL9 HS . 0.2215 0.8059 0.7976 -0.0156 -0.0431 0.0188 406 PL9 d C23 ? ? 1 +58761 C C23 B PL9 HS . 0.2193 0.8040 0.7956 -0.0156 -0.0433 0.0189 406 PL9 d C23 ? ? 1 +58762 C C24 A PL9 HS . 0.2222 0.8102 0.8032 -0.0180 -0.0471 0.0172 406 PL9 d C24 ? ? 1 +58763 C C24 B PL9 HS . 0.2209 0.8093 0.8022 -0.0180 -0.0474 0.0173 406 PL9 d C24 ? ? 1 +58764 C C25 A PL9 HS . 0.2207 0.8123 0.8032 -0.0177 -0.0505 0.0175 406 PL9 d C25 ? ? 1 +58765 C C25 B PL9 HS . 0.2190 0.8111 0.8019 -0.0176 -0.0505 0.0178 406 PL9 d C25 ? ? 1 +58766 C C26 A PL9 HS . 0.2237 0.8120 0.8090 -0.0212 -0.0485 0.0149 406 PL9 d C26 ? ? 1 +58767 C C26 B PL9 HS . 0.2234 0.8124 0.8091 -0.0212 -0.0490 0.0149 406 PL9 d C26 ? ? 1 +58768 C C27 A PL9 HS . 0.2164 0.8114 0.8123 -0.0236 -0.0482 0.0158 406 PL9 d C27 ? ? 1 +58769 C C27 B PL9 HS . 0.2174 0.8128 0.8136 -0.0236 -0.0485 0.0158 406 PL9 d C27 ? ? 1 +58770 C C28 A PL9 HS . 0.2141 0.8107 0.8133 -0.0224 -0.0438 0.0186 406 PL9 d C28 ? ? 1 +58771 C C28 B PL9 HS . 0.2169 0.8137 0.8162 -0.0224 -0.0440 0.0186 406 PL9 d C28 ? ? 1 +58772 C C29 A PL9 HS . 0.2114 0.8133 0.8171 -0.0224 -0.0426 0.0209 406 PL9 d C29 ? ? 1 +58773 C C29 B PL9 HS . 0.2161 0.8181 0.8217 -0.0223 -0.0426 0.0209 406 PL9 d C29 ? ? 1 +58774 C C30 A PL9 HS . 0.2067 0.8142 0.8178 -0.0234 -0.0455 0.0210 406 PL9 d C30 ? ? 1 +58775 C C30 B PL9 HS . 0.2107 0.8185 0.8223 -0.0234 -0.0454 0.0212 406 PL9 d C30 ? ? 1 +58776 C C31 A PL9 HS . 0.2101 0.8131 0.8182 -0.0210 -0.0382 0.0234 406 PL9 d C31 ? ? 1 +58777 C C31 B PL9 HS . 0.2164 0.8192 0.8239 -0.0208 -0.0382 0.0234 406 PL9 d C31 ? ? 1 +58778 C C32 A PL9 HS . 0.2182 0.8161 0.8214 -0.0197 -0.0355 0.0230 406 PL9 d C32 ? ? 1 +58779 C C32 B PL9 HS . 0.2251 0.8232 0.8289 -0.0200 -0.0356 0.0229 406 PL9 d C32 ? ? 1 +58780 C C33 A PL9 HS . 0.2170 0.8171 0.8241 -0.0185 -0.0317 0.0251 406 PL9 d C33 ? ? 1 +58781 C C33 B PL9 HS . 0.2261 0.8265 0.8340 -0.0188 -0.0318 0.0250 406 PL9 d C33 ? ? 1 +58782 C C34 A PL9 HS . 0.2198 0.8188 0.8284 -0.0184 -0.0297 0.0250 406 PL9 d C34 ? ? 1 +58783 C C34 B PL9 HS . 0.2318 0.8305 0.8402 -0.0184 -0.0296 0.0250 406 PL9 d C34 ? ? 1 +58784 C C35 A PL9 HS . 0.2247 0.8183 0.8296 -0.0193 -0.0305 0.0228 406 PL9 d C35 ? ? 1 +58785 C C35 B PL9 HS . 0.2366 0.8294 0.8404 -0.0188 -0.0301 0.0228 406 PL9 d C35 ? ? 1 +58786 C C36 A PL9 HS . 0.2171 0.8200 0.8311 -0.0174 -0.0267 0.0271 406 PL9 d C36 ? ? 1 +58787 C C36 B PL9 HS . 0.2313 0.8341 0.8454 -0.0174 -0.0267 0.0270 406 PL9 d C36 ? ? 1 +58788 C C37 A PL9 HS . 0.2222 0.8236 0.8330 -0.0143 -0.0232 0.0280 406 PL9 d C37 ? ? 1 +58789 C C37 B PL9 HS . 0.2372 0.8390 0.8483 -0.0144 -0.0232 0.0281 406 PL9 d C37 ? ? 1 +58790 C C38 A PL9 HS . 0.2187 0.8247 0.8361 -0.0136 -0.0208 0.0296 406 PL9 d C38 ? ? 1 +58791 C C38 B PL9 HS . 0.2360 0.8426 0.8538 -0.0137 -0.0208 0.0298 406 PL9 d C38 ? ? 1 +58792 C C39 A PL9 HS . 0.2198 0.8294 0.8397 -0.0122 -0.0181 0.0313 406 PL9 d C39 ? ? 1 +58793 C C39 B PL9 HS . 0.2415 0.8509 0.8611 -0.0119 -0.0179 0.0313 406 PL9 d C39 ? ? 1 +58794 C C40 A PL9 HS . 0.2270 0.8360 0.8429 -0.0110 -0.0168 0.0321 406 PL9 d C40 ? ? 1 +58795 C C40 B PL9 HS . 0.2517 0.8594 0.8660 -0.0101 -0.0159 0.0318 406 PL9 d C40 ? ? 1 +58796 C C41 A PL9 HS . 0.2144 0.8286 0.8412 -0.0116 -0.0162 0.0324 406 PL9 d C41 ? ? 1 +58797 C C41 B PL9 HS . 0.2361 0.8507 0.8631 -0.0117 -0.0162 0.0325 406 PL9 d C41 ? ? 1 +58798 C C42 A PL9 HS . 0.2175 0.8304 0.8423 -0.0086 -0.0132 0.0321 406 PL9 d C42 ? ? 1 +58799 C C42 B PL9 HS . 0.2379 0.8512 0.8638 -0.0090 -0.0136 0.0321 406 PL9 d C42 ? ? 1 +58800 C C43 A PL9 HS . 0.2125 0.8312 0.8434 -0.0075 -0.0106 0.0335 406 PL9 d C43 ? ? 1 +58801 C C43 B PL9 HS . 0.2333 0.8522 0.8648 -0.0076 -0.0108 0.0335 406 PL9 d C43 ? ? 1 +58802 C C44 A PL9 HS . 0.2115 0.8319 0.8452 -0.0054 -0.0088 0.0333 406 PL9 d C44 ? ? 1 +58803 C C44 B PL9 HS . 0.2334 0.8538 0.8671 -0.0053 -0.0087 0.0333 406 PL9 d C44 ? ? 1 +58804 C C45 A PL9 HS . 0.2141 0.8299 0.8446 -0.0039 -0.0095 0.0319 406 PL9 d C45 ? ? 1 +58805 C C45 B PL9 HS . 0.2355 0.8512 0.8656 -0.0035 -0.0091 0.0319 406 PL9 d C45 ? ? 1 +58806 C C46 A PL9 HS . 0.2084 0.8353 0.8485 -0.0044 -0.0061 0.0344 406 PL9 d C46 ? ? 1 +58807 C C46 B PL9 HS . 0.2316 0.8584 0.8715 -0.0043 -0.0060 0.0344 406 PL9 d C46 ? ? 1 +58808 C C47 A PL9 HS . 0.2014 0.8335 0.8482 -0.0068 -0.0071 0.0356 406 PL9 d C47 ? ? 1 +58809 C C47 B PL9 HS . 0.2247 0.8570 0.8718 -0.0067 -0.0071 0.0356 406 PL9 d C47 ? ? 1 +58810 C C48 A PL9 HS . 0.1978 0.8364 0.8513 -0.0062 -0.0045 0.0365 406 PL9 d C48 ? ? 1 +58811 C C48 B PL9 HS . 0.2216 0.8604 0.8754 -0.0061 -0.0045 0.0364 406 PL9 d C48 ? ? 1 +58812 C C49 A PL9 HS . 0.1909 0.8348 0.8516 -0.0075 -0.0051 0.0372 406 PL9 d C49 ? ? 1 +58813 C C49 B PL9 HS . 0.2149 0.8589 0.8757 -0.0075 -0.0051 0.0372 406 PL9 d C49 ? ? 1 +58814 C C50 A PL9 HS . 0.1880 0.8385 0.8555 -0.0071 -0.0025 0.0377 406 PL9 d C50 ? ? 1 +58815 C C50 B PL9 HS . 0.2121 0.8627 0.8798 -0.0070 -0.0025 0.0376 406 PL9 d C50 ? ? 1 +58816 C C51 A PL9 HS . 0.1848 0.8287 0.8476 -0.0097 -0.0085 0.0373 406 PL9 d C51 ? ? 1 +58817 C C51 B PL9 HS . 0.2079 0.8519 0.8707 -0.0099 -0.0084 0.0374 406 PL9 d C51 ? ? 1 +58818 C C52 A PL9 HS . 0.3448 0.8466 0.7746 0.0211 -0.0196 0.0357 406 PL9 d C52 ? ? 1 +58819 C C52 B PL9 HS . 0.3421 0.8424 0.7694 0.0216 -0.0193 0.0358 406 PL9 d C52 ? ? 1 +58820 C C53 A PL9 HS . 0.3611 0.8533 0.7746 0.0237 -0.0292 0.0285 406 PL9 d C53 ? ? 1 +58821 C C53 B PL9 HS . 0.3565 0.8482 0.7693 0.0238 -0.0292 0.0284 406 PL9 d C53 ? ? 1 +58822 O O1 A PL9 HS . 0.3175 0.8364 0.7757 0.0159 -0.0138 0.0359 406 PL9 d O1 ? ? 1 +58823 O O1 B PL9 HS . 0.3132 0.8315 0.7703 0.0161 -0.0141 0.0362 406 PL9 d O1 ? ? 1 +58824 O O2 A PL9 HS . 0.3479 0.8477 0.7763 0.0199 -0.0295 0.0235 406 PL9 d O2 ? ? 1 +58825 O O2 B PL9 HS . 0.3412 0.8419 0.7709 0.0197 -0.0295 0.0237 406 PL9 d O2 ? ? 1 +58826 C C1 . BCR HT . 0.4361 1.0470 1.0386 -0.0091 0.0293 0.0499 102 BCR t C1 ? ? 1 +58827 C C2 . BCR HT . 0.4451 1.0488 1.0358 -0.0063 0.0304 0.0493 102 BCR t C2 ? ? 1 +58828 C C3 . BCR HT . 0.4450 1.0497 1.0354 -0.0053 0.0368 0.0491 102 BCR t C3 ? ? 1 +58829 C C4 . BCR HT . 0.4461 1.0510 1.0375 -0.0075 0.0421 0.0511 102 BCR t C4 ? ? 1 +58830 C C5 . BCR HT . 0.4323 1.0439 1.0349 -0.0105 0.0411 0.0517 102 BCR t C5 ? ? 1 +58831 C C6 . BCR HT . 0.4170 1.0313 1.0246 -0.0111 0.0352 0.0512 102 BCR t C6 ? ? 1 +58832 C C7 . BCR HT . 0.3994 1.0197 1.0172 -0.0139 0.0347 0.0518 102 BCR t C7 ? ? 1 +58833 C C8 . BCR HT . 0.3826 1.0066 1.0068 -0.0149 0.0297 0.0513 102 BCR t C8 ? ? 1 +58834 C C9 . BCR HT . 0.3683 0.9971 1.0011 -0.0176 0.0294 0.0519 102 BCR t C9 ? ? 1 +58835 C C10 . BCR HT . 0.3530 0.9848 0.9912 -0.0181 0.0241 0.0513 102 BCR t C10 ? ? 1 +58836 C C11 . BCR HT . 0.3448 0.9810 0.9909 -0.0205 0.0228 0.0516 102 BCR t C11 ? ? 1 +58837 C C33 . BCR HT . 0.4245 1.0391 1.0319 -0.0128 0.0475 0.0529 102 BCR t C33 ? ? 1 +58838 C C31 . BCR HT . 0.4317 1.0393 1.0312 -0.0099 0.0242 0.0508 102 BCR t C31 ? ? 1 +58839 C C32 . BCR HT . 0.4378 1.0555 1.0493 -0.0086 0.0268 0.0479 102 BCR t C32 ? ? 1 +58840 C C34 . BCR HT . 0.3692 1.0000 1.0058 -0.0200 0.0347 0.0531 102 BCR t C34 ? ? 1 +58841 C C12 . BCR HT . 0.3315 0.9707 0.9826 -0.0208 0.0179 0.0509 102 BCR t C12 ? ? 1 +58842 C C13 . BCR HT . 0.3217 0.9655 0.9809 -0.0229 0.0164 0.0509 102 BCR t C13 ? ? 1 +58843 C C14 . BCR HT . 0.3013 0.9474 0.9642 -0.0228 0.0115 0.0500 102 BCR t C14 ? ? 1 +58844 C C15 . BCR HT . 0.2821 0.9329 0.9529 -0.0243 0.0096 0.0497 102 BCR t C15 ? ? 1 +58845 C C16 . BCR HT . 0.2675 0.9198 0.9410 -0.0244 0.0052 0.0490 102 BCR t C16 ? ? 1 +58846 C C17 . BCR HT . 0.2517 0.9085 0.9327 -0.0258 0.0037 0.0486 102 BCR t C17 ? ? 1 +58847 C C18 . BCR HT . 0.2342 0.8919 0.9175 -0.0261 -0.0004 0.0481 102 BCR t C18 ? ? 1 +58848 C C19 . BCR HT . 0.2163 0.8788 0.9072 -0.0275 -0.0012 0.0476 102 BCR t C19 ? ? 1 +58849 C C20 . BCR HT . 0.2079 0.8720 0.9018 -0.0278 -0.0045 0.0470 102 BCR t C20 ? ? 1 +58850 C C21 . BCR HT . 0.1974 0.8660 0.8982 -0.0289 -0.0052 0.0464 102 BCR t C21 ? ? 1 +58851 C C22 . BCR HT . 0.1898 0.8599 0.8934 -0.0290 -0.0083 0.0457 102 BCR t C22 ? ? 1 +58852 C C23 . BCR HT . 0.1797 0.8545 0.8899 -0.0299 -0.0084 0.0449 102 BCR t C23 ? ? 1 +58853 C C24 . BCR HT . 0.1733 0.8500 0.8865 -0.0297 -0.0110 0.0440 102 BCR t C24 ? ? 1 +58854 C C25 . BCR HT . 0.1634 0.8447 0.8828 -0.0304 -0.0115 0.0431 102 BCR t C25 ? ? 1 +58855 C C26 . BCR HT . 0.1606 0.8445 0.8843 -0.0323 -0.0098 0.0432 102 BCR t C26 ? ? 1 +58856 C C27 . BCR HT . 0.1583 0.8476 0.8889 -0.0329 -0.0104 0.0419 102 BCR t C27 ? ? 1 +58857 C C28 . BCR HT . 0.1556 0.8475 0.8875 -0.0305 -0.0123 0.0406 102 BCR t C28 ? ? 1 +58858 C C29 . BCR HT . 0.1539 0.8416 0.8809 -0.0293 -0.0148 0.0409 102 BCR t C29 ? ? 1 +58859 C C30 . BCR HT . 0.1579 0.8408 0.8786 -0.0288 -0.0139 0.0420 102 BCR t C30 ? ? 1 +58860 C C35 . BCR HT . 0.3286 0.9744 0.9923 -0.0255 0.0201 0.0519 102 BCR t C35 ? ? 1 +58861 C C36 . BCR HT . 0.2307 0.8842 0.9084 -0.0251 -0.0038 0.0481 102 BCR t C36 ? ? 1 +58862 C C37 . BCR HT . 0.1931 0.8598 0.8926 -0.0284 -0.0112 0.0456 102 BCR t C37 ? ? 1 +58863 C C38 . BCR HT . 0.1589 0.8403 0.8808 -0.0341 -0.0072 0.0445 102 BCR t C38 ? ? 1 +58864 C C39 . BCR HT . 0.1612 0.8445 0.8804 -0.0265 -0.0129 0.0415 102 BCR t C39 ? ? 1 +58865 C C40 . BCR HT . 0.1546 0.8337 0.8716 -0.0287 -0.0164 0.0422 102 BCR t C40 ? ? 1 +58866 O O6 . SQD HU . 0.7150 1.5053 1.5232 0.0651 -0.1081 -0.0051 412 SQD A O6 ? ? 1 +58867 C C44 . SQD HU . 0.6533 1.4297 1.4477 0.0627 -0.1070 -0.0008 412 SQD A C44 ? ? 1 +58868 C C45 . SQD HU . 0.6180 1.3869 1.4090 0.0591 -0.1001 0.0021 412 SQD A C45 ? ? 1 +58869 C C46 . SQD HU . 0.5903 1.3561 1.3796 0.0509 -0.0957 0.0036 412 SQD A C46 ? ? 1 +58870 O O47 . SQD HU . 0.5506 1.3287 1.3527 0.0604 -0.0980 -0.0005 412 SQD A O47 ? ? 1 +58871 C C7 . SQD HU . 0.5043 1.2765 1.3025 0.0648 -0.0964 0.0010 412 SQD A C7 ? ? 1 +58872 O O49 . SQD HU . 0.5433 1.3027 1.3295 0.0670 -0.0962 0.0045 412 SQD A O49 ? ? 1 +58873 C C8 . SQD HU . 0.4669 1.2499 1.2774 0.0663 -0.0945 -0.0023 412 SQD A C8 ? ? 1 +58874 C C9 . SQD HU . 0.4415 1.2301 1.2599 0.0590 -0.0886 -0.0033 412 SQD A C9 ? ? 1 +58875 C C10 . SQD HU . 0.4319 1.2086 1.2408 0.0538 -0.0837 0.0007 412 SQD A C10 ? ? 1 +58876 C C11 . SQD HU . 0.4205 1.2014 1.2359 0.0472 -0.0776 -0.0001 412 SQD A C11 ? ? 1 +58877 C C12 . SQD HU . 0.4143 1.1830 1.2203 0.0438 -0.0730 0.0037 412 SQD A C12 ? ? 1 +58878 C C13 . SQD HU . 0.4081 1.1799 1.2191 0.0372 -0.0672 0.0031 412 SQD A C13 ? ? 1 +58879 C C14 . SQD HU . 0.4228 1.1843 1.2263 0.0355 -0.0627 0.0061 412 SQD A C14 ? ? 1 +58880 C C15 . SQD HU . 0.4204 1.1816 1.2248 0.0283 -0.0580 0.0066 412 SQD A C15 ? ? 1 +58881 C C16 . SQD HU . 0.4226 1.1739 1.2197 0.0265 -0.0538 0.0093 412 SQD A C16 ? ? 1 +58882 C C17 . SQD HU . 0.4215 1.1755 1.2227 0.0209 -0.0487 0.0086 412 SQD A C17 ? ? 1 +58883 C C18 . SQD HU . 0.4345 1.1784 1.2271 0.0172 -0.0457 0.0116 412 SQD A C18 ? ? 1 +58884 C C19 . SQD HU . 0.4411 1.1800 1.2277 0.0144 -0.0475 0.0137 412 SQD A C19 ? ? 1 +58885 C C20 . SQD HU . 0.4423 1.1782 1.2267 0.0084 -0.0440 0.0149 412 SQD A C20 ? ? 1 +58886 C C21 . SQD HU . 0.4424 1.1713 1.2192 0.0063 -0.0454 0.0174 412 SQD A C21 ? ? 1 +58887 C C22 . SQD HU . 0.4609 1.1802 1.2290 0.0093 -0.0466 0.0200 412 SQD A C22 ? ? 1 +58888 O O48 . SQD HU . 0.5872 1.3652 1.3880 0.0460 -0.0953 0.0002 412 SQD A O48 ? ? 1 +58889 C C23 . SQD HU . 0.6052 1.3845 1.4102 0.0397 -0.0896 0.0003 412 SQD A C23 ? ? 1 +58890 O O10 . SQD HU . 0.5950 1.3677 1.3961 0.0385 -0.0851 0.0027 412 SQD A O10 ? ? 1 +58891 C C24 . SQD HU . 0.6396 1.4289 1.4539 0.0342 -0.0894 -0.0028 412 SQD A C24 ? ? 1 +58892 C C25 . SQD HU . 0.6884 1.4891 1.5159 0.0317 -0.0859 -0.0060 412 SQD A C25 ? ? 1 +58893 C C26 . SQD HU . 0.7297 1.5383 1.5651 0.0250 -0.0848 -0.0086 412 SQD A C26 ? ? 1 +58894 C C27 . SQD HU . 0.7781 1.6012 1.6286 0.0239 -0.0838 -0.0131 412 SQD A C27 ? ? 1 +58895 C C28 . SQD HU . 0.8197 1.6478 1.6769 0.0159 -0.0797 -0.0148 412 SQD A C28 ? ? 1 +58896 C C29 . SQD HU . 0.8691 1.6934 1.7259 0.0119 -0.0724 -0.0131 412 SQD A C29 ? ? 1 +58897 C C30 . SQD HU . 0.9145 1.7498 1.7840 0.0074 -0.0683 -0.0165 412 SQD A C30 ? ? 1 +58898 C C31 . SQD HU . 0.9585 1.7905 1.8276 0.0051 -0.0614 -0.0151 412 SQD A C31 ? ? 1 +58899 C C32 . SQD HU . 0.9377 1.7588 1.7975 -0.0001 -0.0573 -0.0116 412 SQD A C32 ? ? 1 +58900 C C33 . SQD HU . 0.9446 1.7670 1.8083 -0.0051 -0.0504 -0.0121 412 SQD A C33 ? ? 1 +58901 C C34 . SQD HU . 0.9399 1.7533 1.7958 -0.0108 -0.0469 -0.0094 412 SQD A C34 ? ? 1 +58902 C C35 . SQD HU . 0.9224 1.7383 1.7832 -0.0164 -0.0405 -0.0105 412 SQD A C35 ? ? 1 +58903 C C36 . SQD HU . 0.9210 1.7276 1.7736 -0.0217 -0.0374 -0.0079 412 SQD A C36 ? ? 1 +58904 C C37 . SQD HU . 0.8978 1.7021 1.7503 -0.0256 -0.0307 -0.0075 412 SQD A C37 ? ? 1 +58905 C C38 . SQD HU . 0.9008 1.6936 1.7426 -0.0289 -0.0286 -0.0041 412 SQD A C38 ? ? 1 +58906 C C1 . SQD HU . 0.8051 1.6009 1.6155 0.0719 -0.1150 -0.0075 412 SQD A C1 ? ? 1 +58907 C C2 . SQD HU . 0.8049 1.6079 1.6235 0.0776 -0.1152 -0.0098 412 SQD A C2 ? ? 1 +58908 O O2 . SQD HU . 0.8452 1.6375 1.6562 0.0794 -0.1111 -0.0065 412 SQD A O2 ? ? 1 +58909 C C3 . SQD HU . 0.7945 1.6018 1.6136 0.0857 -0.1231 -0.0120 412 SQD A C3 ? ? 1 +58910 O O3 . SQD HU . 0.7812 1.5953 1.6079 0.0916 -0.1236 -0.0143 412 SQD A O3 ? ? 1 +58911 C C4 . SQD HU . 0.8021 1.6212 1.6298 0.0831 -0.1273 -0.0159 412 SQD A C4 ? ? 1 +58912 O O4 . SQD HU . 0.8462 1.6669 1.6714 0.0907 -0.1353 -0.0174 412 SQD A O4 ? ? 1 +58913 C C5 . SQD HU . 0.8323 1.6448 1.6529 0.0760 -0.1259 -0.0138 412 SQD A C5 ? ? 1 +58914 C C6 . SQD HU . 0.8751 1.6996 1.7054 0.0721 -0.1290 -0.0179 412 SQD A C6 ? ? 1 +58915 O O5 . SQD HU . 0.8216 1.6291 1.6412 0.0691 -0.1182 -0.0113 412 SQD A O5 ? ? 1 +58916 S S . SQD HU . 0.9048 1.7202 1.7232 0.0686 -0.1316 -0.0159 412 SQD A S ? ? 1 +58917 O O7 . SQD HU . 0.8704 1.6775 1.6835 0.0617 -0.1249 -0.0125 412 SQD A O7 ? ? 1 +58918 O O8 . SQD HU . 0.8792 1.6826 1.6828 0.0764 -0.1364 -0.0129 412 SQD A O8 ? ? 1 +58919 O O9 . SQD HU . 0.9747 1.8024 1.8026 0.0674 -0.1365 -0.0205 412 SQD A O9 ? ? 1 +58920 C C1 . BCR HV . 0.2527 0.9187 0.9749 -0.0431 -0.0156 0.0459 618 BCR B C1 ? ? 1 +58921 C C2 . BCR HV . 0.2542 0.9205 0.9770 -0.0423 -0.0183 0.0450 618 BCR B C2 ? ? 1 +58922 C C3 . BCR HV . 0.2464 0.9154 0.9694 -0.0405 -0.0200 0.0443 618 BCR B C3 ? ? 1 +58923 C C4 . BCR HV . 0.2387 0.9062 0.9579 -0.0389 -0.0198 0.0453 618 BCR B C4 ? ? 1 +58924 C C5 . BCR HV . 0.2368 0.9029 0.9542 -0.0393 -0.0174 0.0463 618 BCR B C5 ? ? 1 +58925 C C6 . BCR HV . 0.2401 0.9060 0.9593 -0.0412 -0.0153 0.0466 618 BCR B C6 ? ? 1 +58926 C C7 . BCR HV . 0.2321 0.8970 0.9497 -0.0417 -0.0124 0.0475 618 BCR B C7 ? ? 1 +58927 C C8 . BCR HV . 0.2173 0.8836 0.9339 -0.0406 -0.0113 0.0477 618 BCR B C8 ? ? 1 +58928 C C9 . BCR HV . 0.2020 0.8673 0.9169 -0.0411 -0.0082 0.0485 618 BCR B C9 ? ? 1 +58929 C C10 . BCR HV . 0.1961 0.8637 0.9108 -0.0398 -0.0073 0.0482 618 BCR B C10 ? ? 1 +58930 C C11 . BCR HV . 0.1970 0.8645 0.9106 -0.0400 -0.0041 0.0488 618 BCR B C11 ? ? 1 +58931 C C33 . BCR HV . 0.2324 0.8974 0.9460 -0.0375 -0.0174 0.0469 618 BCR B C33 ? ? 1 +58932 C C31 . BCR HV . 0.2637 0.9244 0.9827 -0.0442 -0.0140 0.0472 618 BCR B C31 ? ? 1 +58933 C C32 . BCR HV . 0.2604 0.9310 0.9881 -0.0448 -0.0145 0.0448 618 BCR B C32 ? ? 1 +58934 C C34 . BCR HV . 0.1987 0.8597 0.9112 -0.0428 -0.0057 0.0498 618 BCR B C34 ? ? 1 +58935 C C12 . BCR HV . 0.1839 0.8541 0.8979 -0.0387 -0.0030 0.0482 618 BCR B C12 ? ? 1 +58936 C C13 . BCR HV . 0.1743 0.8441 0.8867 -0.0387 0.0005 0.0487 618 BCR B C13 ? ? 1 +58937 C C14 . BCR HV . 0.1656 0.8380 0.8782 -0.0369 0.0012 0.0480 618 BCR B C14 ? ? 1 +58938 C C15 . BCR HV . 0.1611 0.8338 0.8723 -0.0365 0.0047 0.0483 618 BCR B C15 ? ? 1 +58939 C C16 . BCR HV . 0.1526 0.8277 0.8640 -0.0345 0.0054 0.0474 618 BCR B C16 ? ? 1 +58940 C C17 . BCR HV . 0.1521 0.8262 0.8606 -0.0337 0.0089 0.0478 618 BCR B C17 ? ? 1 +58941 C C18 . BCR HV . 0.1533 0.8284 0.8603 -0.0313 0.0095 0.0470 618 BCR B C18 ? ? 1 +58942 C C19 . BCR HV . 0.1656 0.8391 0.8690 -0.0307 0.0136 0.0475 618 BCR B C19 ? ? 1 +58943 C C20 . BCR HV . 0.1770 0.8509 0.8783 -0.0283 0.0149 0.0468 618 BCR B C20 ? ? 1 +58944 C C21 . BCR HV . 0.1948 0.8670 0.8925 -0.0278 0.0193 0.0473 618 BCR B C21 ? ? 1 +58945 C C22 . BCR HV . 0.2110 0.8831 0.9060 -0.0253 0.0212 0.0466 618 BCR B C22 ? ? 1 +58946 C C23 . BCR HV . 0.2330 0.9029 0.9241 -0.0254 0.0264 0.0473 618 BCR B C23 ? ? 1 +58947 C C24 . BCR HV . 0.2495 0.9207 0.9396 -0.0233 0.0295 0.0464 618 BCR B C24 ? ? 1 +58948 C C25 . BCR HV . 0.2671 0.9352 0.9520 -0.0231 0.0349 0.0471 618 BCR B C25 ? ? 1 +58949 C C26 . BCR HV . 0.2786 0.9387 0.9541 -0.0238 0.0363 0.0490 618 BCR B C26 ? ? 1 +58950 C C27 . BCR HV . 0.2897 0.9465 0.9597 -0.0237 0.0423 0.0497 618 BCR B C27 ? ? 1 +58951 C C28 . BCR HV . 0.2915 0.9564 0.9710 -0.0250 0.0475 0.0487 618 BCR B C28 ? ? 1 +58952 C C29 . BCR HV . 0.2864 0.9590 0.9737 -0.0227 0.0457 0.0464 618 BCR B C29 ? ? 1 +58953 C C30 . BCR HV . 0.2831 0.9582 0.9748 -0.0223 0.0392 0.0457 618 BCR B C30 ? ? 1 +58954 C C35 . BCR HV . 0.1734 0.8395 0.8834 -0.0407 0.0039 0.0501 618 BCR B C35 ? ? 1 +58955 C C36 . BCR HV . 0.1468 0.8237 0.8549 -0.0291 0.0059 0.0458 618 BCR B C36 ? ? 1 +58956 C C37 . BCR HV . 0.2030 0.8763 0.8981 -0.0225 0.0178 0.0452 618 BCR B C37 ? ? 1 +58957 C C38 . BCR HV . 0.2837 0.9374 0.9530 -0.0245 0.0323 0.0504 618 BCR B C38 ? ? 1 +58958 C C39 . BCR HV . 0.2936 0.9708 0.9857 -0.0185 0.0369 0.0439 618 BCR B C39 ? ? 1 +58959 C C40 . BCR HV . 0.2733 0.9572 0.9774 -0.0249 0.0395 0.0448 618 BCR B C40 ? ? 1 +58960 MG MG . CLA HW . 0.4225 1.0109 1.1240 0.2338 0.0124 -0.0407 513 CLA C MG ? ? 1 +58961 C CHA . CLA HW . 0.4260 0.9781 1.0967 0.2111 0.0158 -0.0348 513 CLA C CHA ? ? 1 +58962 C CHB . CLA HW . 0.4290 1.0296 1.1389 0.2344 0.0288 -0.0485 513 CLA C CHB ? ? 1 +58963 C CHC . CLA HW . 0.4389 1.0453 1.1573 0.2640 0.0077 -0.0472 513 CLA C CHC ? ? 1 +58964 C CHD . CLA HW . 0.4363 0.9940 1.1144 0.2378 -0.0037 -0.0320 513 CLA C CHD ? ? 1 +58965 N NA . CLA HW . 0.4297 1.0073 1.1212 0.2249 0.0204 -0.0414 513 CLA C NA ? ? 1 +58966 C C1A . CLA HW . 0.4311 0.9963 1.1118 0.2158 0.0209 -0.0389 513 CLA C C1A ? ? 1 +58967 C C2A . CLA HW . 0.4373 1.0012 1.1155 0.2104 0.0274 -0.0406 513 CLA C C2A ? ? 1 +58968 C C3A . CLA HW . 0.4357 1.0135 1.1251 0.2182 0.0317 -0.0448 513 CLA C C3A ? ? 1 +58969 C C4A . CLA HW . 0.4318 1.0177 1.1293 0.2265 0.0266 -0.0449 513 CLA C C4A ? ? 1 +58970 C CMA . CLA HW . 0.4519 1.0164 1.1305 0.2236 0.0358 -0.0471 513 CLA C CMA ? ? 1 +58971 C CAA . CLA HW . 0.4332 1.0050 1.1160 0.1990 0.0291 -0.0392 513 CLA C CAA ? ? 1 +58972 C CBA . CLA HW . 0.4485 1.0140 1.1244 0.1944 0.0351 -0.0406 513 CLA C CBA ? ? 1 +58973 C CGA . CLA HW . 0.4524 1.0281 1.1346 0.1843 0.0375 -0.0398 513 CLA C CGA ? ? 1 +58974 O O1A . CLA HW . 0.4612 1.0301 1.1373 0.1762 0.0354 -0.0370 513 CLA C O1A ? ? 1 +58975 O O2A . CLA HW . 0.4690 1.0630 1.1649 0.1838 0.0425 -0.0423 513 CLA C O2A ? ? 1 +58976 N NB . CLA HW . 0.4320 1.0328 1.1442 0.2469 0.0174 -0.0468 513 CLA C NB ? ? 1 +58977 C C1B . CLA HW . 0.4316 1.0384 1.1479 0.2450 0.0244 -0.0496 513 CLA C C1B ? ? 1 +58978 C C2B . CLA HW . 0.4365 1.0538 1.1619 0.2548 0.0278 -0.0541 513 CLA C C2B ? ? 1 +58979 C C3B . CLA HW . 0.4415 1.0613 1.1702 0.2638 0.0213 -0.0538 513 CLA C C3B ? ? 1 +58980 C C4B . CLA HW . 0.4363 1.0455 1.1563 0.2581 0.0152 -0.0492 513 CLA C C4B ? ? 1 +58981 C CMB . CLA HW . 0.4367 1.0612 1.1673 0.2552 0.0359 -0.0578 513 CLA C CMB ? ? 1 +58982 C CAB . CLA HW . 0.4507 1.0806 1.1887 0.2761 0.0220 -0.0579 513 CLA C CAB ? ? 1 +58983 C CBB . CLA HW . 0.4606 1.0884 1.1979 0.2860 0.0165 -0.0579 513 CLA C CBB ? ? 1 +58984 N NC . CLA HW . 0.4347 1.0169 1.1326 0.2473 0.0040 -0.0397 513 CLA C NC ? ? 1 +58985 C C1C . CLA HW . 0.4394 1.0314 1.1459 0.2586 0.0026 -0.0426 513 CLA C C1C ? ? 1 +58986 C C2C . CLA HW . 0.4474 1.0323 1.1488 0.2665 -0.0044 -0.0408 513 CLA C C2C ? ? 1 +58987 C C3C . CLA HW . 0.4460 1.0161 1.1351 0.2586 -0.0074 -0.0363 513 CLA C C3C ? ? 1 +58988 C C4C . CLA HW . 0.4373 1.0086 1.1267 0.2473 -0.0021 -0.0361 513 CLA C C4C ? ? 1 +58989 C CMC . CLA HW . 0.4553 1.0468 1.1626 0.2796 -0.0078 -0.0431 513 CLA C CMC ? ? 1 +58990 C CAC . CLA HW . 0.4523 1.0097 1.1313 0.2612 -0.0141 -0.0327 513 CLA C CAC ? ? 1 +58991 C CBC . CLA HW . 0.4699 1.0012 1.1290 0.2638 -0.0141 -0.0309 513 CLA C CBC ? ? 1 +58992 N ND . CLA HW . 0.4285 0.9908 1.1091 0.2261 0.0074 -0.0348 513 CLA C ND ? ? 1 +58993 C C1D . CLA HW . 0.4342 0.9853 1.1065 0.2285 0.0011 -0.0316 513 CLA C C1D ? ? 1 +58994 C C2D . CLA HW . 0.4327 0.9690 1.0929 0.2187 0.0002 -0.0280 513 CLA C C2D ? ? 1 +58995 C C3D . CLA HW . 0.4288 0.9668 1.0896 0.2122 0.0061 -0.0296 513 CLA C C3D ? ? 1 +58996 C C4D . CLA HW . 0.4290 0.9787 1.0990 0.2177 0.0100 -0.0334 513 CLA C C4D ? ? 1 +58997 C CMD . CLA HW . 0.4355 0.9579 1.0850 0.2151 -0.0046 -0.0238 513 CLA C CMD ? ? 1 +58998 C CAD . CLA HW . 0.4264 0.9553 1.0791 0.2023 0.0092 -0.0286 513 CLA C CAD ? ? 1 +58999 O OBD . CLA HW . 0.4252 0.9418 1.0682 0.1957 0.0068 -0.0254 513 CLA C OBD ? ? 1 +59000 C CBD . CLA HW . 0.4232 0.9613 1.0821 0.2012 0.0154 -0.0319 513 CLA C CBD ? ? 1 +59001 C CGD . CLA HW . 0.4341 0.9557 1.0796 0.2002 0.0190 -0.0329 513 CLA C CGD ? ? 1 +59002 O O1D . CLA HW . 0.4274 0.9473 1.0701 0.1922 0.0219 -0.0327 513 CLA C O1D ? ? 1 +59003 O O2D . CLA HW . 0.4530 0.9604 1.0885 0.2089 0.0191 -0.0342 513 CLA C O2D ? ? 1 +59004 C CED . CLA HW . 0.4646 0.9530 1.0849 0.2063 0.0213 -0.0344 513 CLA C CED ? ? 1 +59005 C C1 . CLA HW . 0.4784 1.0764 1.1752 0.1751 0.0468 -0.0422 513 CLA C C1 ? ? 1 +59006 C C2 . CLA HW . 0.4943 1.1039 1.1995 0.1783 0.0537 -0.0460 513 CLA C C2 ? ? 1 +59007 C C3 . CLA HW . 0.5241 1.1242 1.2204 0.1809 0.0585 -0.0481 513 CLA C C3 ? ? 1 +59008 C C4 . CLA HW . 0.5328 1.1103 1.2105 0.1802 0.0566 -0.0467 513 CLA C C4 ? ? 1 +59009 C C5 . CLA HW . 0.5442 1.1564 1.2492 0.1842 0.0658 -0.0519 513 CLA C C5 ? ? 1 +59010 C C6 . CLA HW . 0.5797 1.1829 1.2780 0.1935 0.0683 -0.0547 513 CLA C C6 ? ? 1 +59011 C C7 . CLA HW . 0.6121 1.2256 1.3214 0.2037 0.0665 -0.0567 513 CLA C C7 ? ? 1 +59012 C C8 . CLA HW . 0.6585 1.2562 1.3561 0.2127 0.0653 -0.0578 513 CLA C C8 ? ? 1 +59013 C C9 . CLA HW . 0.6749 1.2516 1.3539 0.2114 0.0677 -0.0578 513 CLA C C9 ? ? 1 +59014 C C10 . CLA HW . 0.6966 1.2996 1.4010 0.2242 0.0628 -0.0596 513 CLA C C10 ? ? 1 +59015 C C11 . CLA HW . 0.7151 1.3407 1.4385 0.2296 0.0660 -0.0631 513 CLA C C11 ? ? 1 +59016 C C12 . CLA HW . 0.7469 1.3743 1.4744 0.2403 0.0608 -0.0638 513 CLA C C12 ? ? 1 +59017 C C13 . CLA HW . 0.7891 1.4254 1.5245 0.2507 0.0653 -0.0684 513 CLA C C13 ? ? 1 +59018 C C14 . CLA HW . 0.8064 1.4227 1.5252 0.2559 0.0680 -0.0695 513 CLA C C14 ? ? 1 +59019 C C15 . CLA HW . 0.8121 1.4593 1.5588 0.2599 0.0598 -0.0693 513 CLA C C15 ? ? 1 +59020 C C16 . CLA HW . 0.8103 1.4795 1.5754 0.2564 0.0570 -0.0690 513 CLA C C16 ? ? 1 +59021 C C17 . CLA HW . 0.8321 1.5085 1.6052 0.2676 0.0515 -0.0704 513 CLA C C17 ? ? 1 +59022 C C18 . CLA HW . 0.8250 1.5193 1.6137 0.2675 0.0458 -0.0700 513 CLA C C18 ? ? 1 +59023 C C19 . CLA HW . 0.8153 1.5278 1.6204 0.2782 0.0443 -0.0739 513 CLA C C19 ? ? 1 +59024 C C20 . CLA HW . 0.8174 1.5096 1.6037 0.2578 0.0411 -0.0659 513 CLA C C20 ? ? 1 +59025 C CHA . HEM HX . 0.6831 0.8416 1.1489 -0.1065 0.0243 0.0166 102 HEM F CHA ? ? 1 +59026 C CHB . HEM HX . 0.6962 0.8591 1.1813 -0.1380 0.0217 -0.0006 102 HEM F CHB ? ? 1 +59027 C CHC . HEM HX . 0.6303 0.8524 1.1423 -0.1194 0.0052 -0.0056 102 HEM F CHC ? ? 1 +59028 C CHD . HEM HX . 0.6205 0.8352 1.1136 -0.0887 0.0089 0.0103 102 HEM F CHD ? ? 1 +59029 C C1A . HEM HX . 0.6937 0.8469 1.1612 -0.1164 0.0253 0.0126 102 HEM F C1A ? ? 1 +59030 C C2A . HEM HX . 0.7162 0.8490 1.1740 -0.1229 0.0296 0.0126 102 HEM F C2A ? ? 1 +59031 C C3A . HEM HX . 0.7168 0.8510 1.1804 -0.1319 0.0290 0.0076 102 HEM F C3A ? ? 1 +59032 C C4A . HEM HX . 0.6979 0.8534 1.1745 -0.1309 0.0241 0.0048 102 HEM F C4A ? ? 1 +59033 C CMA . HEM HX . 0.7354 0.8516 1.1925 -0.1415 0.0328 0.0056 102 HEM F CMA ? ? 1 +59034 C CAA . HEM HX . 0.7388 0.8507 1.1814 -0.1198 0.0340 0.0171 102 HEM F CAA ? ? 1 +59035 C CBA . HEM HX . 0.7492 0.8473 1.1794 -0.1109 0.0318 0.0163 102 HEM F CBA ? ? 1 +59036 C CGA . HEM HX . 0.7721 0.8453 1.1846 -0.1070 0.0353 0.0196 102 HEM F CGA ? ? 1 +59037 O O1A . HEM HX . 0.7860 0.8429 1.1878 -0.1048 0.0349 0.0177 102 HEM F O1A ? ? 1 +59038 O O2A . HEM HX . 0.7784 0.8467 1.1862 -0.1059 0.0385 0.0243 102 HEM F O2A ? ? 1 +59039 C C1B . HEM HX . 0.6788 0.8593 1.1735 -0.1353 0.0165 -0.0035 102 HEM F C1B ? ? 1 +59040 C C2B . HEM HX . 0.6760 0.8651 1.1800 -0.1429 0.0138 -0.0089 102 HEM F C2B ? ? 1 +59041 C C3B . HEM HX . 0.6610 0.8665 1.1722 -0.1376 0.0090 -0.0104 102 HEM F C3B ? ? 1 +59042 C C4B . HEM HX . 0.6481 0.8551 1.1547 -0.1268 0.0091 -0.0056 102 HEM F C4B ? ? 1 +59043 C CMB . HEM HX . 0.6898 0.8713 1.1952 -0.1547 0.0158 -0.0125 102 HEM F CMB ? ? 1 +59044 C CAB . HEM HX . 0.6511 0.8713 1.1729 -0.1413 0.0043 -0.0154 102 HEM F CAB ? ? 1 +59045 C CBB . HEM HX . 0.6537 0.8767 1.1826 -0.1513 0.0039 -0.0195 102 HEM F CBB ? ? 1 +59046 C C1C . HEM HX . 0.6232 0.8477 1.1318 -0.1094 0.0051 -0.0016 102 HEM F C1C ? ? 1 +59047 C C2C . HEM HX . 0.6029 0.8406 1.1158 -0.1018 0.0015 -0.0017 102 HEM F C2C ? ? 1 +59048 C C3C . HEM HX . 0.6018 0.8382 1.1101 -0.0934 0.0027 0.0027 102 HEM F C3C ? ? 1 +59049 C C4C . HEM HX . 0.6187 0.8397 1.1187 -0.0953 0.0069 0.0057 102 HEM F C4C ? ? 1 +59050 C CMC . HEM HX . 0.5912 0.8424 1.1121 -0.1027 -0.0028 -0.0060 102 HEM F CMC ? ? 1 +59051 C CAC . HEM HX . 0.5878 0.8351 1.0983 -0.0840 -0.0001 0.0035 102 HEM F CAC ? ? 1 +59052 C CBC . HEM HX . 0.5937 0.8336 1.0960 -0.0753 0.0006 0.0063 102 HEM F CBC ? ? 1 +59053 C C1D . HEM HX . 0.6341 0.8336 1.1188 -0.0913 0.0131 0.0132 102 HEM F C1D ? ? 1 +59054 C C2D . HEM HX . 0.6350 0.8301 1.1135 -0.0843 0.0149 0.0183 102 HEM F C2D ? ? 1 +59055 C C3D . HEM HX . 0.6504 0.8293 1.1206 -0.0890 0.0190 0.0201 102 HEM F C3D ? ? 1 +59056 C C4D . HEM HX . 0.6622 0.8368 1.1348 -0.0992 0.0199 0.0160 102 HEM F C4D ? ? 1 +59057 C CMD . HEM HX . 0.6217 0.8274 1.1021 -0.0740 0.0126 0.0210 102 HEM F CMD ? ? 1 +59058 C CAD . HEM HX . 0.6568 0.8254 1.1181 -0.0854 0.0223 0.0252 102 HEM F CAD ? ? 1 +59059 C CBD . HEM HX . 0.6433 0.8246 1.1154 -0.0933 0.0243 0.0263 102 HEM F CBD ? ? 1 +59060 C CGD . HEM HX . 0.6439 0.8213 1.1119 -0.0926 0.0278 0.0313 102 HEM F CGD ? ? 1 +59061 O O1D . HEM HX . 0.6229 0.8166 1.1003 -0.0923 0.0273 0.0330 102 HEM F O1D ? ? 1 +59062 O O2D . HEM HX . 0.6640 0.8218 1.1190 -0.0925 0.0314 0.0338 102 HEM F O2D ? ? 1 +59063 N NA . HEM HX . 0.6827 0.8492 1.1613 -0.1213 0.0221 0.0079 102 HEM F NA ? ? 1 +59064 N NB . HEM HX . 0.6613 0.8529 1.1581 -0.1258 0.0136 -0.0017 102 HEM F NB ? ? 1 +59065 N NC . HEM HX . 0.6318 0.8457 1.1321 -0.1053 0.0086 0.0031 102 HEM F NC ? ? 1 +59066 N ND . HEM HX . 0.6519 0.8389 1.1329 -0.1000 0.0161 0.0120 102 HEM F ND ? ? 1 +59067 FE FE . HEM HX . 0.6671 0.8542 1.1541 -0.1119 0.0153 0.0057 102 HEM F FE ? ? 1 +59068 MG MG A CLA HY . 0.2947 0.7868 0.8069 -0.0036 -0.0212 0.0018 404 CLA a MG ? ? 1 +59069 MG MG B CLA HY . 0.2830 0.7764 0.7966 -0.0039 -0.0214 0.0021 404 CLA a MG ? ? 1 +59070 C CHA A CLA HY . 0.2845 0.7920 0.8034 0.0067 -0.0140 0.0069 404 CLA a CHA ? ? 1 +59071 C CHA B CLA HY . 0.2763 0.7837 0.7949 0.0066 -0.0141 0.0069 404 CLA a CHA ? ? 1 +59072 C CHB A CLA HY . 0.2899 0.7930 0.8043 -0.0085 -0.0275 0.0008 404 CLA a CHB ? ? 1 +59073 C CHB B CLA HY . 0.2792 0.7829 0.7944 -0.0089 -0.0277 0.0008 404 CLA a CHB ? ? 1 +59074 C CHC A CLA HY . 0.2881 0.7802 0.8102 -0.0170 -0.0273 -0.0003 404 CLA a CHC ? ? 1 +59075 C CHC B CLA HY . 0.2776 0.7698 0.8000 -0.0171 -0.0273 -0.0002 404 CLA a CHC ? ? 1 +59076 C CHD A CLA HY . 0.2898 0.7791 0.8079 0.0017 -0.0161 0.0052 404 CLA a CHD ? ? 1 +59077 C CHD B CLA HY . 0.2788 0.7691 0.7979 0.0016 -0.0162 0.0055 404 CLA a CHD ? ? 1 +59078 N NA A CLA HY . 0.2892 0.7917 0.8047 -0.0016 -0.0208 0.0037 404 CLA a NA ? ? 1 +59079 N NA B CLA HY . 0.2789 0.7821 0.7951 -0.0018 -0.0209 0.0038 404 CLA a NA ? ? 1 +59080 C C1A A CLA HY . 0.2866 0.7936 0.8037 0.0025 -0.0176 0.0056 404 CLA a C1A ? ? 1 +59081 C C1A B CLA HY . 0.2775 0.7846 0.7946 0.0024 -0.0177 0.0056 404 CLA a C1A ? ? 1 +59082 C C2A A CLA HY . 0.2874 0.7984 0.8033 0.0031 -0.0178 0.0061 404 CLA a C2A ? ? 1 +59083 C C2A B CLA HY . 0.2787 0.7894 0.7942 0.0030 -0.0179 0.0060 404 CLA a C2A ? ? 1 +59084 C C3A A CLA HY . 0.2909 0.7983 0.8029 -0.0009 -0.0221 0.0038 404 CLA a C3A ? ? 1 +59085 C C3A B CLA HY . 0.2815 0.7889 0.7935 -0.0012 -0.0224 0.0037 404 CLA a C3A ? ? 1 +59086 C C4A A CLA HY . 0.2900 0.7941 0.8042 -0.0040 -0.0236 0.0027 404 CLA a C4A ? ? 1 +59087 C C4A B CLA HY . 0.2798 0.7845 0.7946 -0.0043 -0.0238 0.0027 404 CLA a C4A ? ? 1 +59088 C CMA A CLA HY . 0.3042 0.8026 0.8043 0.0005 -0.0226 0.0012 404 CLA a CMA ? ? 1 +59089 C CMA B CLA HY . 0.2951 0.7933 0.7952 0.0002 -0.0229 0.0011 404 CLA a CMA ? ? 1 +59090 C CAA A CLA HY . 0.2769 0.7989 0.8029 0.0028 -0.0169 0.0090 404 CLA a CAA ? ? 1 +59091 C CAA B CLA HY . 0.2683 0.7900 0.7938 0.0028 -0.0170 0.0089 404 CLA a CAA ? ? 1 +59092 C CBA A CLA HY . 0.2782 0.8038 0.8028 0.0033 -0.0169 0.0099 404 CLA a CBA ? ? 1 +59093 C CBA B CLA HY . 0.2701 0.7950 0.7937 0.0034 -0.0169 0.0097 404 CLA a CBA ? ? 1 +59094 C CGA A CLA HY . 0.2816 0.8086 0.8047 0.0078 -0.0123 0.0113 404 CLA a CGA ? ? 1 +59095 C CGA B CLA HY . 0.2763 0.8005 0.7961 0.0081 -0.0124 0.0105 404 CLA a CGA ? ? 1 +59096 O O1A A CLA HY . 0.2788 0.8079 0.8059 0.0101 -0.0094 0.0122 404 CLA a O1A ? ? 1 +59097 O O1A B CLA HY . 0.2808 0.8016 0.7985 0.0110 -0.0098 0.0101 404 CLA a O1A ? ? 1 +59098 O O2A A CLA HY . 0.2904 0.8164 0.8074 0.0094 -0.0111 0.0114 404 CLA a O2A ? ? 1 +59099 O O2A B CLA HY . 0.2793 0.8069 0.7979 0.0092 -0.0111 0.0119 404 CLA a O2A ? ? 1 +59100 N NB A CLA HY . 0.2890 0.7864 0.8070 -0.0112 -0.0265 0.0005 404 CLA a NB ? ? 1 +59101 N NB B CLA HY . 0.2780 0.7760 0.7968 -0.0115 -0.0267 0.0006 404 CLA a NB ? ? 1 +59102 C C1B A CLA HY . 0.2879 0.7891 0.8058 -0.0124 -0.0289 -0.0001 404 CLA a C1B ? ? 1 +59103 C C1B B CLA HY . 0.2772 0.7788 0.7957 -0.0128 -0.0291 -0.0001 404 CLA a C1B ? ? 1 +59104 C C2B A CLA HY . 0.2841 0.7889 0.8068 -0.0178 -0.0328 -0.0014 404 CLA a C2B ? ? 1 +59105 C C2B B CLA HY . 0.2739 0.7785 0.7966 -0.0181 -0.0331 -0.0016 404 CLA a C2B ? ? 1 +59106 C C3B A CLA HY . 0.2841 0.7857 0.8093 -0.0204 -0.0323 -0.0017 404 CLA a C3B ? ? 1 +59107 C C3B B CLA HY . 0.2737 0.7752 0.7990 -0.0208 -0.0326 -0.0019 404 CLA a C3B ? ? 1 +59108 C C4B A CLA HY . 0.2872 0.7838 0.8086 -0.0160 -0.0286 -0.0005 404 CLA a C4B ? ? 1 +59109 C C4B B CLA HY . 0.2764 0.7733 0.7983 -0.0164 -0.0288 -0.0005 404 CLA a C4B ? ? 1 +59110 C CMB A CLA HY . 0.2823 0.7919 0.8060 -0.0195 -0.0362 -0.0023 404 CLA a CMB ? ? 1 +59111 C CMB B CLA HY . 0.2725 0.7816 0.7958 -0.0197 -0.0365 -0.0025 404 CLA a CMB ? ? 1 +59112 C CAB A CLA HY . 0.2816 0.7849 0.8124 -0.0260 -0.0346 -0.0029 404 CLA a CAB ? ? 1 +59113 C CAB B CLA HY . 0.2719 0.7743 0.8022 -0.0265 -0.0349 -0.0033 404 CLA a CAB ? ? 1 +59114 C CBB A CLA HY . 0.2765 0.7871 0.8130 -0.0289 -0.0376 -0.0033 404 CLA a CBB ? ? 1 +59115 C CBB B CLA HY . 0.2686 0.7768 0.8035 -0.0300 -0.0382 -0.0044 404 CLA a CBB ? ? 1 +59116 N NC A CLA HY . 0.2895 0.7803 0.8078 -0.0070 -0.0215 0.0026 404 CLA a NC ? ? 1 +59117 N NC B CLA HY . 0.2782 0.7699 0.7975 -0.0072 -0.0216 0.0028 404 CLA a NC ? ? 1 +59118 C C1C A CLA HY . 0.2889 0.7786 0.8097 -0.0123 -0.0239 0.0015 404 CLA a C1C ? ? 1 +59119 C C1C B CLA HY . 0.2781 0.7682 0.7994 -0.0125 -0.0239 0.0016 404 CLA a C1C ? ? 1 +59120 C C2C A CLA HY . 0.2875 0.7746 0.8108 -0.0135 -0.0229 0.0024 404 CLA a C2C ? ? 1 +59121 C C2C B CLA HY . 0.2772 0.7643 0.8006 -0.0136 -0.0230 0.0024 404 CLA a C2C ? ? 1 +59122 C C3C A CLA HY . 0.2881 0.7742 0.8098 -0.0077 -0.0199 0.0040 404 CLA a C3C ? ? 1 +59123 C C3C B CLA HY . 0.2773 0.7636 0.7994 -0.0079 -0.0200 0.0041 404 CLA a C3C ? ? 1 +59124 C C4C A CLA HY . 0.2898 0.7781 0.8086 -0.0044 -0.0193 0.0038 404 CLA a C4C ? ? 1 +59125 C C4C B CLA HY . 0.2787 0.7677 0.7983 -0.0045 -0.0193 0.0040 404 CLA a C4C ? ? 1 +59126 C CMC A CLA HY . 0.2871 0.7728 0.8136 -0.0192 -0.0245 0.0017 404 CLA a CMC ? ? 1 +59127 C CMC B CLA HY . 0.2775 0.7627 0.8036 -0.0193 -0.0245 0.0015 404 CLA a CMC ? ? 1 +59128 C CAC A CLA HY . 0.2889 0.7715 0.8107 -0.0052 -0.0180 0.0054 404 CLA a CAC ? ? 1 +59129 C CAC B CLA HY . 0.2779 0.7605 0.8000 -0.0058 -0.0182 0.0054 404 CLA a CAC ? ? 1 +59130 C CBC A CLA HY . 0.2789 0.7681 0.8094 -0.0076 -0.0183 0.0075 404 CLA a CBC ? ? 1 +59131 C CBC B CLA HY . 0.2666 0.7575 0.7981 -0.0068 -0.0181 0.0079 404 CLA a CBC ? ? 1 +59132 N ND A CLA HY . 0.2855 0.7851 0.8054 0.0018 -0.0169 0.0055 404 CLA a ND ? ? 1 +59133 N ND B CLA HY . 0.2754 0.7757 0.7959 0.0017 -0.0169 0.0057 404 CLA a ND ? ? 1 +59134 C C1D A CLA HY . 0.2873 0.7825 0.8063 0.0046 -0.0148 0.0060 404 CLA a C1D ? ? 1 +59135 C C1D B CLA HY . 0.2771 0.7730 0.7966 0.0045 -0.0149 0.0061 404 CLA a C1D ? ? 1 +59136 C C2D A CLA HY . 0.2861 0.7851 0.8067 0.0103 -0.0115 0.0075 404 CLA a C2D ? ? 1 +59137 C C2D B CLA HY . 0.2765 0.7759 0.7973 0.0103 -0.0115 0.0076 404 CLA a C2D ? ? 1 +59138 C C3D A CLA HY . 0.2846 0.7888 0.8055 0.0107 -0.0111 0.0078 404 CLA a C3D ? ? 1 +59139 C C3D B CLA HY . 0.2759 0.7802 0.7967 0.0107 -0.0111 0.0078 404 CLA a C3D ? ? 1 +59140 C C4D A CLA HY . 0.2857 0.7885 0.8047 0.0062 -0.0142 0.0065 404 CLA a C4D ? ? 1 +59141 C C4D B CLA HY . 0.2765 0.7796 0.7957 0.0062 -0.0142 0.0065 404 CLA a C4D ? ? 1 +59142 C CMD A CLA HY . 0.2870 0.7855 0.8086 0.0152 -0.0089 0.0085 404 CLA a CMD ? ? 1 +59143 C CMD B CLA HY . 0.2774 0.7762 0.7991 0.0151 -0.0089 0.0085 404 CLA a CMD ? ? 1 +59144 C CAD A CLA HY . 0.2837 0.7933 0.8053 0.0143 -0.0083 0.0088 404 CLA a CAD ? ? 1 +59145 C CAD B CLA HY . 0.2762 0.7855 0.7973 0.0143 -0.0083 0.0087 404 CLA a CAD ? ? 1 +59146 O OBD A CLA HY . 0.2832 0.7958 0.8069 0.0188 -0.0050 0.0099 404 CLA a OBD ? ? 1 +59147 O OBD B CLA HY . 0.2758 0.7878 0.7987 0.0189 -0.0049 0.0097 404 CLA a OBD ? ? 1 +59148 C CBD A CLA HY . 0.2837 0.7952 0.8036 0.0117 -0.0100 0.0085 404 CLA a CBD ? ? 1 +59149 C CBD B CLA HY . 0.2765 0.7875 0.7957 0.0117 -0.0100 0.0083 404 CLA a CBD ? ? 1 +59150 C CGD A CLA HY . 0.2937 0.8002 0.8046 0.0149 -0.0081 0.0073 404 CLA a CGD ? ? 1 +59151 C CGD B CLA HY . 0.2867 0.7922 0.7966 0.0151 -0.0080 0.0071 404 CLA a CGD ? ? 1 +59152 O O1D A CLA HY . 0.3044 0.8024 0.8062 0.0143 -0.0095 0.0050 404 CLA a O1D ? ? 1 +59153 O O1D B CLA HY . 0.2982 0.7942 0.7989 0.0154 -0.0088 0.0047 404 CLA a O1D ? ? 1 +59154 O O2D A CLA HY . 0.2913 0.8034 0.8042 0.0187 -0.0041 0.0089 404 CLA a O2D ? ? 1 +59155 O O2D B CLA HY . 0.2836 0.7953 0.7957 0.0182 -0.0046 0.0087 404 CLA a O2D ? ? 1 +59156 C CED A CLA HY . 0.3017 0.8088 0.8056 0.0218 -0.0018 0.0078 404 CLA a CED ? ? 1 +59157 C CED B CLA HY . 0.2937 0.8004 0.7970 0.0215 -0.0021 0.0076 404 CLA a CED ? ? 1 +59158 C C1 A CLA HY . 0.2933 0.8213 0.8098 0.0133 -0.0062 0.0128 404 CLA a C1 ? ? 1 +59159 C C1 B CLA HY . 0.2834 0.8118 0.7999 0.0132 -0.0063 0.0129 404 CLA a C1 ? ? 1 +59160 C C2 A CLA HY . 0.2860 0.8228 0.8098 0.0128 -0.0047 0.0155 404 CLA a C2 ? ? 1 +59161 C C2 B CLA HY . 0.2758 0.8130 0.7998 0.0128 -0.0046 0.0157 404 CLA a C2 ? ? 1 +59162 C C3 A CLA HY . 0.2798 0.8239 0.8129 0.0136 -0.0021 0.0173 404 CLA a C3 ? ? 1 +59163 C C3 B CLA HY . 0.2696 0.8141 0.8031 0.0135 -0.0021 0.0174 404 CLA a C3 ? ? 1 +59164 C C4 A CLA HY . 0.2789 0.8225 0.8151 0.0153 -0.0010 0.0168 404 CLA a C4 ? ? 1 +59165 C C4 B CLA HY . 0.2682 0.8125 0.8052 0.0152 -0.0010 0.0169 404 CLA a C4 ? ? 1 +59166 C C5 A CLA HY . 0.2733 0.8257 0.8135 0.0128 -0.0005 0.0199 404 CLA a C5 ? ? 1 +59167 C C5 B CLA HY . 0.2636 0.8162 0.8039 0.0128 -0.0004 0.0200 404 CLA a C5 ? ? 1 +59168 C C6 A CLA HY . 0.2759 0.8313 0.8169 0.0161 0.0051 0.0211 404 CLA a C6 ? ? 1 +59169 C C6 B CLA HY . 0.2669 0.8223 0.8079 0.0162 0.0052 0.0211 404 CLA a C6 ? ? 1 +59170 C C7 A CLA HY . 0.2706 0.8329 0.8173 0.0144 0.0061 0.0234 404 CLA a C7 ? ? 1 +59171 C C7 B CLA HY . 0.2626 0.8248 0.8091 0.0145 0.0063 0.0235 404 CLA a C7 ? ? 1 +59172 C C8 A CLA HY . 0.2726 0.8386 0.8207 0.0166 0.0117 0.0249 404 CLA a C8 ? ? 1 +59173 C C8 B CLA HY . 0.2650 0.8312 0.8132 0.0167 0.0119 0.0249 404 CLA a C8 ? ? 1 +59174 C C9 A CLA HY . 0.2811 0.8437 0.8237 0.0205 0.0162 0.0239 404 CLA a C9 ? ? 1 +59175 C C9 B CLA HY . 0.2739 0.8363 0.8159 0.0206 0.0164 0.0239 404 CLA a C9 ? ? 1 +59176 C C10 A CLA HY . 0.2659 0.8399 0.8225 0.0147 0.0131 0.0273 404 CLA a C10 ? ? 1 +59177 C C10 B CLA HY . 0.2593 0.8337 0.8164 0.0149 0.0134 0.0273 404 CLA a C10 ? ? 1 +59178 C C11 A CLA HY . 0.2567 0.8375 0.8243 0.0123 0.0105 0.0281 404 CLA a C11 ? ? 1 +59179 C C11 B CLA HY . 0.2520 0.8326 0.8194 0.0122 0.0102 0.0280 404 CLA a C11 ? ? 1 +59180 C C12 A CLA HY . 0.2544 0.8405 0.8269 0.0100 0.0110 0.0303 404 CLA a C12 ? ? 1 +59181 C C12 B CLA HY . 0.2514 0.8379 0.8245 0.0101 0.0112 0.0302 404 CLA a C12 ? ? 1 +59182 C C13 A CLA HY . 0.2479 0.8403 0.8306 0.0074 0.0082 0.0311 404 CLA a C13 ? ? 1 +59183 C C13 B CLA HY . 0.2472 0.8400 0.8305 0.0076 0.0084 0.0310 404 CLA a C13 ? ? 1 +59184 C C14 A CLA HY . 0.2434 0.8413 0.8344 0.0088 0.0100 0.0308 404 CLA a C14 ? ? 1 +59185 C C14 B CLA HY . 0.2432 0.8417 0.8350 0.0090 0.0104 0.0309 404 CLA a C14 ? ? 1 +59186 C C15 A CLA HY . 0.2481 0.8452 0.8352 0.0053 0.0090 0.0332 404 CLA a C15 ? ? 1 +59187 C C15 B CLA HY . 0.2499 0.8471 0.8374 0.0054 0.0090 0.0331 404 CLA a C15 ? ? 1 +59188 C C16 A CLA HY . 0.2560 0.8486 0.8364 0.0038 0.0064 0.0336 404 CLA a C16 ? ? 1 +59189 C C16 B CLA HY . 0.2605 0.8530 0.8410 0.0039 0.0063 0.0335 404 CLA a C16 ? ? 1 +59190 C C17 A CLA HY . 0.2586 0.8544 0.8414 0.0027 0.0089 0.0359 404 CLA a C17 ? ? 1 +59191 C C17 B CLA HY . 0.2661 0.8618 0.8489 0.0027 0.0086 0.0357 404 CLA a C17 ? ? 1 +59192 C C18 A CLA HY . 0.2602 0.8559 0.8435 0.0002 0.0044 0.0366 404 CLA a C18 ? ? 1 +59193 C C18 B CLA HY . 0.2713 0.8668 0.8543 0.0003 0.0043 0.0364 404 CLA a C18 ? ? 1 +59194 C C19 A CLA HY . 0.2620 0.8594 0.8464 -0.0011 0.0057 0.0388 404 CLA a C19 ? ? 1 +59195 C C19 B CLA HY . 0.2736 0.8719 0.8594 -0.0011 0.0060 0.0387 404 CLA a C19 ? ? 1 +59196 C C20 A CLA HY . 0.2591 0.8541 0.8437 -0.0010 -0.0009 0.0350 404 CLA a C20 ? ? 1 +59197 C C20 B CLA HY . 0.2734 0.8670 0.8558 -0.0009 -0.0014 0.0349 404 CLA a C20 ? ? 1 +59198 MG MG . CLA HZ . 0.1504 0.9028 0.8989 -0.0210 -0.1224 -0.0219 612 CLA b MG ? ? 1 +59199 C CHA . CLA HZ . 0.1496 0.9161 0.9199 -0.0367 -0.1203 -0.0316 612 CLA b CHA ? ? 1 +59200 C CHB . CLA HZ . 0.1329 0.8797 0.8853 -0.0265 -0.1067 -0.0146 612 CLA b CHB ? ? 1 +59201 C CHC . CLA HZ . 0.1594 0.8879 0.8765 -0.0085 -0.1225 -0.0117 612 CLA b CHC ? ? 1 +59202 C CHD . CLA HZ . 0.1731 0.9258 0.9102 -0.0154 -0.1401 -0.0298 612 CLA b CHD ? ? 1 +59203 N NA . CLA HZ . 0.1421 0.8972 0.9005 -0.0299 -0.1146 -0.0225 612 CLA b NA ? ? 1 +59204 C C1A . CLA HZ . 0.1417 0.9031 0.9088 -0.0352 -0.1146 -0.0265 612 CLA b C1A ? ? 1 +59205 C C2A . CLA HZ . 0.1340 0.8977 0.9088 -0.0402 -0.1080 -0.0259 612 CLA b C2A ? ? 1 +59206 C C3A . CLA HZ . 0.1295 0.8853 0.8967 -0.0373 -0.1038 -0.0204 612 CLA b C3A ? ? 1 +59207 C C4A . CLA HZ . 0.1347 0.8868 0.8933 -0.0307 -0.1085 -0.0189 612 CLA b C4A ? ? 1 +59208 C CMA . CLA HZ . 0.1300 0.8762 0.8898 -0.0410 -0.0991 -0.0183 612 CLA b CMA ? ? 1 +59209 C CAA . CLA HZ . 0.1306 0.9072 0.9201 -0.0411 -0.1084 -0.0289 612 CLA b CAA ? ? 1 +59210 C CBA . CLA HZ . 0.1306 0.9115 0.9218 -0.0346 -0.1112 -0.0278 612 CLA b CBA ? ? 1 +59211 C CGA . CLA HZ . 0.1295 0.9238 0.9356 -0.0354 -0.1120 -0.0313 612 CLA b CGA ? ? 1 +59212 O O1A . CLA HZ . 0.1328 0.9356 0.9451 -0.0336 -0.1177 -0.0353 612 CLA b O1A ? ? 1 +59213 O O2A . CLA HZ . 0.1266 0.9240 0.9399 -0.0379 -0.1059 -0.0302 612 CLA b O2A ? ? 1 +59214 N NB . CLA HZ . 0.1457 0.8856 0.8825 -0.0181 -0.1158 -0.0144 612 CLA b NB ? ? 1 +59215 C C1B . CLA HZ . 0.1380 0.8780 0.8792 -0.0207 -0.1099 -0.0122 612 CLA b C1B ? ? 1 +59216 C C2B . CLA HZ . 0.1371 0.8687 0.8698 -0.0178 -0.1063 -0.0071 612 CLA b C2B ? ? 1 +59217 C C3B . CLA HZ . 0.1459 0.8720 0.8683 -0.0127 -0.1108 -0.0063 612 CLA b C3B ? ? 1 +59218 C C4B . CLA HZ . 0.1496 0.8818 0.8756 -0.0130 -0.1166 -0.0110 612 CLA b C4B ? ? 1 +59219 C CMB . CLA HZ . 0.1302 0.8599 0.8650 -0.0197 -0.0999 -0.0040 612 CLA b CMB ? ? 1 +59220 C CAB . CLA HZ . 0.1514 0.8684 0.8622 -0.0079 -0.1102 -0.0021 612 CLA b CAB ? ? 1 +59221 C CBB . CLA HZ . 0.1473 0.8615 0.8574 -0.0069 -0.1060 0.0015 612 CLA b CBB ? ? 1 +59222 N NC . CLA HZ . 0.1629 0.9055 0.8939 -0.0138 -0.1292 -0.0207 612 CLA b NC ? ? 1 +59223 C C1C . CLA HZ . 0.1658 0.8994 0.8853 -0.0089 -0.1286 -0.0164 612 CLA b C1C ? ? 1 +59224 C C2C . CLA HZ . 0.1768 0.9047 0.8849 -0.0040 -0.1342 -0.0166 612 CLA b C2C ? ? 1 +59225 C C3C . CLA HZ . 0.1812 0.9162 0.8950 -0.0060 -0.1396 -0.0220 612 CLA b C3C ? ? 1 +59226 C C4C . CLA HZ . 0.1716 0.9157 0.8998 -0.0118 -0.1361 -0.0241 612 CLA b C4C ? ? 1 +59227 C CMC . CLA HZ . 0.1839 0.9010 0.8776 0.0014 -0.1344 -0.0125 612 CLA b CMC ? ? 1 +59228 C CAC . CLA HZ . 0.1936 0.9275 0.9006 -0.0025 -0.1472 -0.0249 612 CLA b CAC ? ? 1 +59229 C CBC . CLA HZ . 0.1995 0.9254 0.8972 -0.0053 -0.1471 -0.0256 612 CLA b CBC ? ? 1 +59230 N ND . CLA HZ . 0.1571 0.9163 0.9107 -0.0248 -0.1290 -0.0291 612 CLA b ND ? ? 1 +59231 C C1D . CLA HZ . 0.1663 0.9248 0.9145 -0.0222 -0.1360 -0.0319 612 CLA b C1D ? ? 1 +59232 C C2D . CLA HZ . 0.1689 0.9357 0.9266 -0.0273 -0.1389 -0.0376 612 CLA b C2D ? ? 1 +59233 C C3D . CLA HZ . 0.1619 0.9316 0.9286 -0.0332 -0.1321 -0.0372 612 CLA b C3D ? ? 1 +59234 C C4D . CLA HZ . 0.1560 0.9197 0.9181 -0.0315 -0.1267 -0.0321 612 CLA b C4D ? ? 1 +59235 C CMD . CLA HZ . 0.1766 0.9479 0.9355 -0.0273 -0.1463 -0.0429 612 CLA b CMD ? ? 1 +59236 C CAD . CLA HZ . 0.1598 0.9355 0.9374 -0.0406 -0.1287 -0.0403 612 CLA b CAD ? ? 1 +59237 O OBD . CLA HZ . 0.1642 0.9457 0.9481 -0.0444 -0.1320 -0.0453 612 CLA b OBD ? ? 1 +59238 C CBD . CLA HZ . 0.1541 0.9279 0.9344 -0.0429 -0.1210 -0.0367 612 CLA b CBD ? ? 1 +59239 C CGD . CLA HZ . 0.1586 0.9261 0.9367 -0.0494 -0.1158 -0.0365 612 CLA b CGD ? ? 1 +59240 O O1D . CLA HZ . 0.1583 0.9295 0.9448 -0.0550 -0.1116 -0.0379 612 CLA b O1D ? ? 1 +59241 O O2D . CLA HZ . 0.1690 0.9250 0.9338 -0.0490 -0.1160 -0.0348 612 CLA b O2D ? ? 1 +59242 C CED . CLA HZ . 0.1727 0.9226 0.9353 -0.0549 -0.1115 -0.0349 612 CLA b CED ? ? 1 +59243 C C1 . CLA HZ . 0.1270 0.9365 0.9549 -0.0411 -0.1052 -0.0341 612 CLA b C1 ? ? 1 +59244 C C2 . CLA HZ . 0.1310 0.9412 0.9624 -0.0484 -0.1036 -0.0372 612 CLA b C2 ? ? 1 +59245 C C3 . CLA HZ . 0.1330 0.9434 0.9692 -0.0541 -0.0972 -0.0371 612 CLA b C3 ? ? 1 +59246 C C4 . CLA HZ . 0.1279 0.9377 0.9656 -0.0530 -0.0916 -0.0337 612 CLA b C4 ? ? 1 +59247 C C5 . CLA HZ . 0.1410 0.9510 0.9798 -0.0615 -0.0955 -0.0401 612 CLA b C5 ? ? 1 +59248 C C6 . CLA HZ . 0.1477 0.9444 0.9755 -0.0644 -0.0900 -0.0361 612 CLA b C6 ? ? 1 +59249 C C7 . CLA HZ . 0.1551 0.9411 0.9686 -0.0599 -0.0929 -0.0329 612 CLA b C7 ? ? 1 +59250 C C8 . CLA HZ . 0.1576 0.9315 0.9604 -0.0603 -0.0878 -0.0281 612 CLA b C8 ? ? 1 +59251 C C9 . CLA HZ . 0.1664 0.9299 0.9561 -0.0582 -0.0900 -0.0262 612 CLA b C9 ? ? 1 +59252 C C10 . CLA HZ . 0.1566 0.9289 0.9614 -0.0619 -0.0811 -0.0252 612 CLA b C10 ? ? 1 +59253 C C11 . CLA HZ . 0.1588 0.9204 0.9557 -0.0653 -0.0757 -0.0224 612 CLA b C11 ? ? 1 +59254 C C12 . CLA HZ . 0.1633 0.9274 0.9671 -0.0723 -0.0719 -0.0252 612 CLA b C12 ? ? 1 +59255 C C13 . CLA HZ . 0.1720 0.9253 0.9670 -0.0760 -0.0692 -0.0242 612 CLA b C13 ? ? 1 +59256 C C14 . CLA HZ . 0.1727 0.9168 0.9596 -0.0746 -0.0643 -0.0192 612 CLA b C14 ? ? 1 +59257 C C15 . CLA HZ . 0.1766 0.9322 0.9781 -0.0832 -0.0666 -0.0277 612 CLA b C15 ? ? 1 +59258 C C16 . CLA HZ . 0.1856 0.9499 0.9948 -0.0850 -0.0718 -0.0330 612 CLA b C16 ? ? 1 +59259 C C17 . CLA HZ . 0.1947 0.9528 0.9949 -0.0837 -0.0765 -0.0337 612 CLA b C17 ? ? 1 +59260 C C18 . CLA HZ . 0.2046 0.9709 1.0110 -0.0843 -0.0828 -0.0387 612 CLA b C18 ? ? 1 +59261 C C19 . CLA HZ . 0.2040 0.9847 1.0238 -0.0835 -0.0860 -0.0423 612 CLA b C19 ? ? 1 +59262 C C20 . CLA HZ . 0.2158 0.9765 1.0146 -0.0845 -0.0871 -0.0404 612 CLA b C20 ? ? 1 +59263 MG MG . CLA IA . 0.5656 0.9519 0.8540 0.0714 0.0464 -0.0075 509 CLA c MG ? ? 1 +59264 C CHA . CLA IA . 0.5819 0.9516 0.8428 0.0675 0.0323 -0.0091 509 CLA c CHA ? ? 1 +59265 C CHB . CLA IA . 0.6117 0.9723 0.8628 0.0824 0.0574 -0.0123 509 CLA c CHB ? ? 1 +59266 C CHC . CLA IA . 0.5533 0.9490 0.8640 0.0762 0.0530 -0.0097 509 CLA c CHC ? ? 1 +59267 C CHD . CLA IA . 0.5248 0.9309 0.8469 0.0599 0.0306 -0.0058 509 CLA c CHD ? ? 1 +59268 N NA . CLA IA . 0.5926 0.9607 0.8537 0.0741 0.0449 -0.0103 509 CLA c NA ? ? 1 +59269 C C1A . CLA IA . 0.5983 0.9615 0.8506 0.0723 0.0395 -0.0104 509 CLA c C1A ? ? 1 +59270 C C2A . CLA IA . 0.6220 0.9723 0.8536 0.0756 0.0412 -0.0118 509 CLA c C2A ? ? 1 +59271 C C3A . CLA IA . 0.6269 0.9751 0.8561 0.0801 0.0499 -0.0124 509 CLA c C3A ? ? 1 +59272 C C4A . CLA IA . 0.6095 0.9691 0.8579 0.0788 0.0507 -0.0117 509 CLA c C4A ? ? 1 +59273 C CMA . CLA IA . 0.6337 0.9823 0.8579 0.0828 0.0587 -0.0096 509 CLA c CMA ? ? 1 +59274 C CAA . CLA IA . 0.6385 0.9778 0.8574 0.0749 0.0330 -0.0158 509 CLA c CAA ? ? 1 +59275 C CBA . CLA IA . 0.6383 0.9783 0.8648 0.0738 0.0300 -0.0185 509 CLA c CBA ? ? 1 +59276 C CGA . CLA IA . 0.6539 0.9839 0.8701 0.0724 0.0219 -0.0227 509 CLA c CGA ? ? 1 +59277 O O1A . CLA IA . 0.6691 0.9883 0.8684 0.0743 0.0206 -0.0247 509 CLA c O1A ? ? 1 +59278 O O2A . CLA IA . 0.6614 0.9949 0.8883 0.0688 0.0162 -0.0245 509 CLA c O2A ? ? 1 +59279 N NB . CLA IA . 0.5788 0.9586 0.8615 0.0778 0.0536 -0.0105 509 CLA c NB ? ? 1 +59280 C C1B . CLA IA . 0.5955 0.9657 0.8633 0.0821 0.0584 -0.0120 509 CLA c C1B ? ? 1 +59281 C C2B . CLA IA . 0.6023 0.9700 0.8693 0.0867 0.0637 -0.0139 509 CLA c C2B ? ? 1 +59282 C C3B . CLA IA . 0.5854 0.9635 0.8702 0.0848 0.0618 -0.0132 509 CLA c C3B ? ? 1 +59283 C C4B . CLA IA . 0.5708 0.9559 0.8641 0.0794 0.0562 -0.0109 509 CLA c C4B ? ? 1 +59284 C CMB . CLA IA . 0.6238 0.9811 0.8755 0.0921 0.0696 -0.0160 509 CLA c CMB ? ? 1 +59285 C CAB . CLA IA . 0.5804 0.9627 0.8742 0.0880 0.0655 -0.0140 509 CLA c CAB ? ? 1 +59286 C CBB . CLA IA . 0.5884 0.9684 0.8777 0.0933 0.0728 -0.0149 509 CLA c CBB ? ? 1 +59287 N NC . CLA IA . 0.5453 0.9428 0.8557 0.0685 0.0425 -0.0077 509 CLA c NC ? ? 1 +59288 C C1C . CLA IA . 0.5419 0.9426 0.8597 0.0709 0.0461 -0.0083 509 CLA c C1C ? ? 1 +59289 C C2C . CLA IA . 0.5261 0.9349 0.8591 0.0681 0.0425 -0.0080 509 CLA c C2C ? ? 1 +59290 C C3C . CLA IA . 0.5214 0.9333 0.8579 0.0631 0.0362 -0.0068 509 CLA c C3C ? ? 1 +59291 C C4C . CLA IA . 0.5312 0.9365 0.8540 0.0639 0.0369 -0.0066 509 CLA c C4C ? ? 1 +59292 C CMC . CLA IA . 0.5209 0.9335 0.8632 0.0702 0.0446 -0.0086 509 CLA c CMC ? ? 1 +59293 C CAC . CLA IA . 0.5105 0.9309 0.8613 0.0587 0.0310 -0.0058 509 CLA c CAC ? ? 1 +59294 C CBC . CLA IA . 0.5169 0.9317 0.8652 0.0556 0.0233 -0.0084 509 CLA c CBC ? ? 1 +59295 N ND . CLA IA . 0.5563 0.9427 0.8468 0.0651 0.0336 -0.0082 509 CLA c ND ? ? 1 +59296 C C1D . CLA IA . 0.5364 0.9338 0.8431 0.0607 0.0294 -0.0064 509 CLA c C1D ? ? 1 +59297 C C2D . CLA IA . 0.5347 0.9318 0.8387 0.0575 0.0229 -0.0058 509 CLA c C2D ? ? 1 +59298 C C3D . CLA IA . 0.5530 0.9389 0.8384 0.0604 0.0243 -0.0069 509 CLA c C3D ? ? 1 +59299 C C4D . CLA IA . 0.5621 0.9434 0.8418 0.0644 0.0308 -0.0078 509 CLA c C4D ? ? 1 +59300 C CMD . CLA IA . 0.5206 0.9255 0.8356 0.0528 0.0165 -0.0046 509 CLA c CMD ? ? 1 +59301 C CAD . CLA IA . 0.5666 0.9444 0.8372 0.0608 0.0210 -0.0072 509 CLA c CAD ? ? 1 +59302 O OBD . CLA IA . 0.5633 0.9434 0.8351 0.0580 0.0149 -0.0065 509 CLA c OBD ? ? 1 +59303 C CBD . CLA IA . 0.5842 0.9513 0.8383 0.0655 0.0266 -0.0084 509 CLA c CBD ? ? 1 +59304 C CGD . CLA IA . 0.5846 0.9531 0.8352 0.0671 0.0330 -0.0048 509 CLA c CGD ? ? 1 +59305 O O1D . CLA IA . 0.5702 0.9486 0.8329 0.0653 0.0354 -0.0015 509 CLA c O1D ? ? 1 +59306 O O2D . CLA IA . 0.6024 0.9600 0.8345 0.0708 0.0369 -0.0050 509 CLA c O2D ? ? 1 +59307 C CED . CLA IA . 0.6043 0.9637 0.8347 0.0723 0.0448 -0.0015 509 CLA c CED ? ? 1 +59308 C C1 . CLA IA . 0.6925 1.0166 0.9106 0.0672 0.0092 -0.0288 509 CLA c C1 ? ? 1 +59309 C C2 . CLA IA . 0.7044 1.0302 0.9323 0.0652 0.0073 -0.0306 509 CLA c C2 ? ? 1 +59310 C C3 . CLA IA . 0.7281 1.0565 0.9631 0.0602 -0.0003 -0.0321 509 CLA c C3 ? ? 1 +59311 C C4 . CLA IA . 0.7250 1.0558 0.9596 0.0565 -0.0076 -0.0322 509 CLA c C4 ? ? 1 +59312 C C5 . CLA IA . 0.7542 1.0829 0.9975 0.0583 -0.0015 -0.0338 509 CLA c C5 ? ? 1 +59313 C C6 . CLA IA . 0.7644 1.1064 1.0267 0.0543 -0.0033 -0.0310 509 CLA c C6 ? ? 1 +59314 C C7 . CLA IA . 0.8003 1.1415 1.0697 0.0526 -0.0042 -0.0327 509 CLA c C7 ? ? 1 +59315 C C8 . CLA IA . 0.8355 1.1892 1.1234 0.0488 -0.0055 -0.0301 509 CLA c C8 ? ? 1 +59316 C C9 . CLA IA . 0.8373 1.2032 1.1361 0.0465 -0.0065 -0.0265 509 CLA c C9 ? ? 1 +59317 C C10 . CLA IA . 0.8751 1.2275 1.1696 0.0477 -0.0055 -0.0313 509 CLA c C10 ? ? 1 +59318 C C11 . CLA IA . 0.9321 1.2780 1.2216 0.0527 0.0003 -0.0320 509 CLA c C11 ? ? 1 +59319 C C12 . CLA IA . 0.9746 1.3208 1.2726 0.0499 -0.0019 -0.0328 509 CLA c C12 ? ? 1 +59320 C C13 . CLA IA . 1.0345 1.3734 1.3287 0.0541 0.0025 -0.0340 509 CLA c C13 ? ? 1 +59321 C C14 . CLA IA . 1.0304 1.3780 1.3324 0.0589 0.0096 -0.0305 509 CLA c C14 ? ? 1 +59322 C C15 . CLA IA . 1.1115 1.4483 1.4115 0.0504 -0.0010 -0.0352 509 CLA c C15 ? ? 1 +59323 C C16 . CLA IA . 1.1746 1.5064 1.4714 0.0441 -0.0085 -0.0382 509 CLA c C16 ? ? 1 +59324 C C17 . CLA IA . 1.2248 1.5426 1.5039 0.0454 -0.0102 -0.0423 509 CLA c C17 ? ? 1 +59325 C C18 . CLA IA . 1.2522 1.5603 1.5251 0.0403 -0.0166 -0.0467 509 CLA c C18 ? ? 1 +59326 C C19 . CLA IA . 1.2604 1.5695 1.5308 0.0355 -0.0234 -0.0486 509 CLA c C19 ? ? 1 +59327 C C20 . CLA IA . 1.2600 1.5593 1.5317 0.0393 -0.0166 -0.0487 509 CLA c C20 ? ? 1 +59328 O O1 A LHG IB . 0.3825 0.9438 0.8976 0.0132 -0.0616 0.0374 407 LHG d O1 ? ? 1 +59329 O O1 B LHG IB . 0.4045 0.9675 0.9219 0.0126 -0.0620 0.0369 407 LHG d O1 ? ? 1 +59330 C C1 A LHG IB . 0.3795 0.9376 0.8896 0.0125 -0.0594 0.0361 407 LHG d C1 ? ? 1 +59331 C C1 B LHG IB . 0.3966 0.9551 0.9071 0.0125 -0.0601 0.0358 407 LHG d C1 ? ? 1 +59332 C C2 A LHG IB . 0.3870 0.9356 0.8843 0.0146 -0.0545 0.0387 407 LHG d C2 ? ? 1 +59333 C C2 B LHG IB . 0.3987 0.9482 0.8974 0.0144 -0.0547 0.0387 407 LHG d C2 ? ? 1 +59334 O O2 A LHG IB . 0.3877 0.9366 0.8884 0.0136 -0.0490 0.0421 407 LHG d O2 ? ? 1 +59335 O O2 B LHG IB . 0.3968 0.9484 0.9017 0.0128 -0.0492 0.0417 407 LHG d O2 ? ? 1 +59336 C C3 A LHG IB . 0.3843 0.9295 0.8768 0.0139 -0.0512 0.0376 407 LHG d C3 ? ? 1 +59337 C C3 B LHG IB . 0.3941 0.9391 0.8861 0.0142 -0.0516 0.0378 407 LHG d C3 ? ? 1 +59338 O O3 A LHG IB . 0.3707 0.9157 0.8657 0.0124 -0.0435 0.0402 407 LHG d O3 ? ? 1 +59339 O O3 B LHG IB . 0.3743 0.9209 0.8714 0.0120 -0.0444 0.0396 407 LHG d O3 ? ? 1 +59340 P P A LHG IB . 0.3719 0.9099 0.8569 0.0133 -0.0381 0.0406 407 LHG d P ? ? 1 +59341 P P B LHG IB . 0.3725 0.9118 0.8595 0.0129 -0.0386 0.0405 407 LHG d P ? ? 1 +59342 O O4 A LHG IB . 0.3793 0.9115 0.8575 0.0144 -0.0326 0.0443 407 LHG d O4 ? ? 1 +59343 O O4 B LHG IB . 0.3810 0.9153 0.8624 0.0140 -0.0333 0.0442 407 LHG d O4 ? ? 1 +59344 O O5 A LHG IB . 0.3795 0.9126 0.8549 0.0151 -0.0423 0.0378 407 LHG d O5 ? ? 1 +59345 O O5 B LHG IB . 0.3799 0.9136 0.8563 0.0149 -0.0421 0.0379 407 LHG d O5 ? ? 1 +59346 O O6 A LHG IB . 0.3566 0.9015 0.8534 0.0101 -0.0342 0.0400 407 LHG d O6 ? ? 1 +59347 O O6 B LHG IB . 0.3578 0.9038 0.8562 0.0098 -0.0347 0.0398 407 LHG d O6 ? ? 1 +59348 C C4 A LHG IB . 0.3463 0.8943 0.8499 0.0084 -0.0280 0.0426 407 LHG d C4 ? ? 1 +59349 C C4 B LHG IB . 0.3480 0.8967 0.8526 0.0082 -0.0282 0.0424 407 LHG d C4 ? ? 1 +59350 C C5 A LHG IB . 0.3303 0.8873 0.8482 0.0054 -0.0282 0.0413 407 LHG d C5 ? ? 1 +59351 C C5 B LHG IB . 0.3325 0.8901 0.8512 0.0052 -0.0283 0.0411 407 LHG d C5 ? ? 1 +59352 C C6 A LHG IB . 0.3197 0.8815 0.8466 0.0034 -0.0231 0.0437 407 LHG d C6 ? ? 1 +59353 C C6 B LHG IB . 0.3217 0.8838 0.8492 0.0033 -0.0230 0.0435 407 LHG d C6 ? ? 1 +59354 O O7 A LHG IB . 0.3320 0.8885 0.8490 0.0051 -0.0269 0.0393 407 LHG d O7 ? ? 1 +59355 O O7 B LHG IB . 0.3357 0.8927 0.8534 0.0049 -0.0272 0.0390 407 LHG d O7 ? ? 1 +59356 C C7 A LHG IB . 0.3313 0.8904 0.8516 0.0042 -0.0317 0.0363 407 LHG d C7 ? ? 1 +59357 C C7 B LHG IB . 0.3376 0.8971 0.8585 0.0041 -0.0321 0.0361 407 LHG d C7 ? ? 1 +59358 O O9 A LHG IB . 0.3255 0.8879 0.8500 0.0036 -0.0369 0.0353 407 LHG d O9 ? ? 1 +59359 O O9 B LHG IB . 0.3309 0.8935 0.8556 0.0035 -0.0373 0.0350 407 LHG d O9 ? ? 1 +59360 C C8 A LHG IB . 0.3360 0.8937 0.8549 0.0040 -0.0297 0.0345 407 LHG d C8 ? ? 1 +59361 C C8 B LHG IB . 0.3449 0.9031 0.8646 0.0038 -0.0299 0.0343 407 LHG d C8 ? ? 1 +59362 C C9 A LHG IB . 0.3285 0.8922 0.8575 0.0015 -0.0320 0.0323 407 LHG d C9 ? ? 1 +59363 C C9 B LHG IB . 0.3406 0.9045 0.8701 0.0014 -0.0325 0.0320 407 LHG d C9 ? ? 1 +59364 C C10 A LHG IB . 0.3190 0.8896 0.8599 -0.0005 -0.0287 0.0339 407 LHG d C10 ? ? 1 +59365 C C10 B LHG IB . 0.3336 0.9047 0.8754 -0.0008 -0.0295 0.0335 407 LHG d C10 ? ? 1 +59366 O O8 A LHG IB . 0.3067 0.8762 0.8457 0.0010 -0.0238 0.0422 407 LHG d O8 ? ? 1 +59367 O O8 B LHG IB . 0.3086 0.8786 0.8484 0.0008 -0.0239 0.0421 407 LHG d O8 ? ? 1 +59368 C C23 A LHG IB . 0.2961 0.8710 0.8446 -0.0009 -0.0210 0.0438 407 LHG d C23 ? ? 1 +59369 C C23 B LHG IB . 0.2981 0.8734 0.8473 -0.0010 -0.0211 0.0437 407 LHG d C23 ? ? 1 +59370 O O10 A LHG IB . 0.2972 0.8707 0.8447 -0.0008 -0.0177 0.0462 407 LHG d O10 ? ? 1 +59371 O O10 B LHG IB . 0.2989 0.8728 0.8470 -0.0009 -0.0177 0.0461 407 LHG d O10 ? ? 1 +59372 C C24 A LHG IB . 0.2846 0.8667 0.8444 -0.0031 -0.0226 0.0421 407 LHG d C24 ? ? 1 +59373 C C24 B LHG IB . 0.2869 0.8695 0.8474 -0.0032 -0.0229 0.0420 407 LHG d C24 ? ? 1 +59374 C C11 A LHG IB . 0.3204 0.8914 0.8635 -0.0007 -0.0240 0.0338 407 LHG d C11 ? ? 1 +59375 C C11 B LHG IB . 0.3382 0.9096 0.8817 -0.0008 -0.0241 0.0339 407 LHG d C11 ? ? 1 +59376 C C12 A LHG IB . 0.3114 0.8898 0.8670 -0.0029 -0.0227 0.0342 407 LHG d C12 ? ? 1 +59377 C C12 B LHG IB . 0.3330 0.9115 0.8888 -0.0029 -0.0227 0.0343 407 LHG d C12 ? ? 1 +59378 C C13 A LHG IB . 0.3137 0.8929 0.8714 -0.0025 -0.0174 0.0346 407 LHG d C13 ? ? 1 +59379 C C13 B LHG IB . 0.3391 0.9183 0.8967 -0.0024 -0.0174 0.0347 407 LHG d C13 ? ? 1 +59380 C C14 A LHG IB . 0.3076 0.8926 0.8758 -0.0043 -0.0173 0.0341 407 LHG d C14 ? ? 1 +59381 C C14 B LHG IB . 0.3369 0.9219 0.9051 -0.0043 -0.0173 0.0341 407 LHG d C14 ? ? 1 +59382 C C15 A LHG IB . 0.3104 0.8975 0.8821 -0.0035 -0.0120 0.0349 407 LHG d C15 ? ? 1 +59383 C C15 B LHG IB . 0.3443 0.9317 0.9164 -0.0036 -0.0120 0.0351 407 LHG d C15 ? ? 1 +59384 C C16 A LHG IB . 0.3018 0.8961 0.8848 -0.0052 -0.0109 0.0361 407 LHG d C16 ? ? 1 +59385 C C16 B LHG IB . 0.3372 0.9318 0.9208 -0.0054 -0.0113 0.0361 407 LHG d C16 ? ? 1 +59386 C C17 A LHG IB . 0.2975 0.8946 0.8867 -0.0069 -0.0143 0.0346 407 LHG d C17 ? ? 1 +59387 C C17 B LHG IB . 0.3371 0.9343 0.9264 -0.0069 -0.0145 0.0346 407 LHG d C17 ? ? 1 +59388 C C18 A LHG IB . 0.2910 0.8949 0.8907 -0.0085 -0.0137 0.0357 407 LHG d C18 ? ? 1 +59389 C C18 B LHG IB . 0.3351 0.9390 0.9349 -0.0086 -0.0142 0.0356 407 LHG d C18 ? ? 1 +59390 C C19 A LHG IB . 0.2924 0.8990 0.8968 -0.0078 -0.0105 0.0357 407 LHG d C19 ? ? 1 +59391 C C19 B LHG IB . 0.3399 0.9465 0.9445 -0.0079 -0.0108 0.0357 407 LHG d C19 ? ? 1 +59392 C C20 A LHG IB . 0.2881 0.9006 0.9023 -0.0094 -0.0112 0.0361 407 LHG d C20 ? ? 1 +59393 C C20 B LHG IB . 0.3408 0.9534 0.9552 -0.0095 -0.0113 0.0362 407 LHG d C20 ? ? 1 +59394 C C21 A LHG IB . 0.2945 0.9105 0.9135 -0.0082 -0.0074 0.0367 407 LHG d C21 ? ? 1 +59395 C C21 B LHG IB . 0.3599 0.9754 0.9785 -0.0082 -0.0078 0.0364 407 LHG d C21 ? ? 1 +59396 C C22 A LHG IB . 0.2899 0.9117 0.9182 -0.0096 -0.0081 0.0371 407 LHG d C22 ? ? 1 +59397 C C22 B LHG IB . 0.3606 0.9822 0.9887 -0.0094 -0.0079 0.0371 407 LHG d C22 ? ? 1 +59398 C C25 A LHG IB . 0.2770 0.8640 0.8454 -0.0048 -0.0178 0.0433 407 LHG d C25 ? ? 1 +59399 C C25 B LHG IB . 0.2805 0.8679 0.8496 -0.0049 -0.0181 0.0432 407 LHG d C25 ? ? 1 +59400 C C26 A LHG IB . 0.2792 0.8645 0.8451 -0.0041 -0.0133 0.0431 407 LHG d C26 ? ? 1 +59401 C C26 B LHG IB . 0.2838 0.8690 0.8495 -0.0041 -0.0133 0.0431 407 LHG d C26 ? ? 1 +59402 C C27 A LHG IB . 0.2736 0.8642 0.8481 -0.0055 -0.0086 0.0442 407 LHG d C27 ? ? 1 +59403 C C27 B LHG IB . 0.2799 0.8704 0.8543 -0.0055 -0.0086 0.0442 407 LHG d C27 ? ? 1 +59404 C C28 A LHG IB . 0.2791 0.8677 0.8503 -0.0044 -0.0032 0.0444 407 LHG d C28 ? ? 1 +59405 C C28 B LHG IB . 0.2867 0.8751 0.8575 -0.0043 -0.0031 0.0445 407 LHG d C28 ? ? 1 +59406 C C29 A LHG IB . 0.2832 0.8701 0.8515 -0.0032 -0.0039 0.0421 407 LHG d C29 ? ? 1 +59407 C C29 B LHG IB . 0.2917 0.8787 0.8600 -0.0032 -0.0036 0.0423 407 LHG d C29 ? ? 1 +59408 C C30 A LHG IB . 0.2912 0.8755 0.8549 -0.0016 0.0015 0.0423 407 LHG d C30 ? ? 1 +59409 C C30 B LHG IB . 0.3009 0.8853 0.8646 -0.0016 0.0018 0.0425 407 LHG d C30 ? ? 1 +59410 C C31 A LHG IB . 0.2861 0.8766 0.8589 -0.0024 0.0062 0.0431 407 LHG d C31 ? ? 1 +59411 C C31 B LHG IB . 0.2969 0.8875 0.8698 -0.0024 0.0065 0.0433 407 LHG d C31 ? ? 1 +59412 C C32 A LHG IB . 0.2944 0.8833 0.8638 -0.0006 0.0115 0.0429 407 LHG d C32 ? ? 1 +59413 C C32 B LHG IB . 0.3074 0.8962 0.8766 -0.0007 0.0118 0.0430 407 LHG d C32 ? ? 1 +59414 C C33 A LHG IB . 0.2927 0.8876 0.8704 -0.0015 0.0167 0.0441 407 LHG d C33 ? ? 1 +59415 C C33 B LHG IB . 0.3080 0.9030 0.8858 -0.0015 0.0169 0.0440 407 LHG d C33 ? ? 1 +59416 C C34 A LHG IB . 0.3001 0.8947 0.8760 0.0004 0.0219 0.0434 407 LHG d C34 ? ? 1 +59417 C C34 B LHG IB . 0.3172 0.9120 0.8934 0.0005 0.0218 0.0432 407 LHG d C34 ? ? 1 +59418 C C35 A LHG IB . 0.3142 0.9013 0.8781 0.0020 0.0252 0.0440 407 LHG d C35 ? ? 1 +59419 C C35 B LHG IB . 0.3327 0.9197 0.8966 0.0023 0.0248 0.0436 407 LHG d C35 ? ? 1 +59420 C C36 A LHG IB . 0.3204 0.9072 0.8825 0.0042 0.0304 0.0431 407 LHG d C36 ? ? 1 +59421 C C36 B LHG IB . 0.3387 0.9262 0.9017 0.0043 0.0306 0.0429 407 LHG d C36 ? ? 1 +59422 C C37 A LHG IB . 0.3257 0.9122 0.8861 0.0040 0.0373 0.0447 407 LHG d C37 ? ? 1 +59423 C C37 B LHG IB . 0.3428 0.9306 0.9050 0.0038 0.0372 0.0447 407 LHG d C37 ? ? 1 +59424 C C38 A LHG IB . 0.3309 0.9186 0.8912 0.0062 0.0427 0.0436 407 LHG d C38 ? ? 1 +59425 C C38 B LHG IB . 0.3496 0.9382 0.9112 0.0059 0.0430 0.0438 407 LHG d C38 ? ? 1 +59426 FE FE . HEC IC . 0.6881 0.8025 0.9243 0.1483 0.0091 -0.0039 201 HEC v FE ? ? 1 +59427 C CHA . HEC IC . 0.6959 0.7991 0.9250 0.1550 0.0053 0.0032 201 HEC v CHA ? ? 1 +59428 C CHB . HEC IC . 0.7380 0.7922 0.9329 0.1361 0.0126 -0.0062 201 HEC v CHB ? ? 1 +59429 C CHC . HEC IC . 0.6879 0.8090 0.9254 0.1465 0.0129 -0.0113 201 HEC v CHC ? ? 1 +59430 C CHD . HEC IC . 0.6343 0.8103 0.9146 0.1551 0.0062 -0.0020 201 HEC v CHD ? ? 1 +59431 N NA . HEC IC . 0.7112 0.7954 0.9271 0.1459 0.0091 -0.0017 201 HEC v NA ? ? 1 +59432 C C1A . HEC IC . 0.7122 0.7947 0.9271 0.1490 0.0076 0.0013 201 HEC v C1A ? ? 1 +59433 C C2A . HEC IC . 0.7329 0.7904 0.9305 0.1461 0.0086 0.0024 201 HEC v C2A ? ? 1 +59434 C C3A . HEC IC . 0.7449 0.7881 0.9329 0.1400 0.0108 -0.0004 201 HEC v C3A ? ? 1 +59435 C C4A . HEC IC . 0.7303 0.7920 0.9307 0.1406 0.0108 -0.0028 201 HEC v C4A ? ? 1 +59436 C CMA . HEC IC . 0.7676 0.7837 0.9373 0.1344 0.0128 -0.0009 201 HEC v CMA ? ? 1 +59437 C CAA . HEC IC . 0.7402 0.7887 0.9314 0.1480 0.0075 0.0056 201 HEC v CAA ? ? 1 +59438 C CBA . HEC IC . 0.7256 0.7823 0.9255 0.1352 0.0077 0.0070 201 HEC v CBA ? ? 1 +59439 C CGA . HEC IC . 0.7322 0.7797 0.9258 0.1345 0.0072 0.0102 201 HEC v CGA ? ? 1 +59440 O O1A . HEC IC . 0.7504 0.7815 0.9303 0.1427 0.0070 0.0113 201 HEC v O1A ? ? 1 +59441 O O2A . HEC IC . 0.7213 0.7775 0.9233 0.1258 0.0071 0.0117 201 HEC v O2A ? ? 1 +59442 N NB . HEC IC . 0.7092 0.8013 0.9288 0.1426 0.0119 -0.0081 201 HEC v NB ? ? 1 +59443 C C1B . HEC IC . 0.7288 0.7974 0.9325 0.1379 0.0129 -0.0087 201 HEC v C1B ? ? 1 +59444 C C2B . HEC IC . 0.7415 0.7991 0.9365 0.1344 0.0146 -0.0122 201 HEC v C2B ? ? 1 +59445 C C3B . HEC IC . 0.7273 0.8048 0.9347 0.1380 0.0146 -0.0137 201 HEC v C3B ? ? 1 +59446 C C4B . HEC IC . 0.7075 0.8050 0.9294 0.1427 0.0130 -0.0109 201 HEC v C4B ? ? 1 +59447 C CMB . HEC IC . 0.7640 0.7962 0.9416 0.1287 0.0160 -0.0140 201 HEC v CMB ? ? 1 +59448 C CAB . HEC IC . 0.7333 0.8105 0.9384 0.1371 0.0160 -0.0172 201 HEC v CAB ? ? 1 +59449 C CBB . HEC IC . 0.7574 0.8142 0.9456 0.1455 0.0176 -0.0193 201 HEC v CBB ? ? 1 +59450 N NC . HEC IC . 0.6643 0.8080 0.9201 0.1505 0.0095 -0.0061 201 HEC v NC ? ? 1 +59451 C C1C . HEC IC . 0.6670 0.8101 0.9210 0.1494 0.0113 -0.0090 201 HEC v C1C ? ? 1 +59452 C C2C . HEC IC . 0.6486 0.8144 0.9178 0.1511 0.0117 -0.0098 201 HEC v C2C ? ? 1 +59453 C C3C . HEC IC . 0.6329 0.8150 0.9151 0.1534 0.0098 -0.0070 201 HEC v C3C ? ? 1 +59454 C C4C . HEC IC . 0.6437 0.8107 0.9164 0.1527 0.0084 -0.0049 201 HEC v C4C ? ? 1 +59455 C CMC . HEC IC . 0.6477 0.8175 0.9177 0.1502 0.0137 -0.0127 201 HEC v CMC ? ? 1 +59456 C CAC . HEC IC . 0.6100 0.8186 0.9113 0.1549 0.0093 -0.0065 201 HEC v CAC ? ? 1 +59457 C CBC . HEC IC . 0.6105 0.8267 0.9149 0.1642 0.0111 -0.0085 201 HEC v CBC ? ? 1 +59458 N ND . HEC IC . 0.6677 0.8047 0.9206 0.1541 0.0060 -0.0002 201 HEC v ND ? ? 1 +59459 C C1D . HEC IC . 0.6469 0.8079 0.9170 0.1565 0.0049 0.0001 201 HEC v C1D ? ? 1 +59460 C C2D . HEC IC . 0.6395 0.8103 0.9169 0.1611 0.0025 0.0028 201 HEC v C2D ? ? 1 +59461 C C3D . HEC IC . 0.6583 0.8069 0.9198 0.1612 0.0021 0.0044 201 HEC v C3D ? ? 1 +59462 C C4D . HEC IC . 0.6745 0.8036 0.9220 0.1569 0.0045 0.0024 201 HEC v C4D ? ? 1 +59463 C CMD . HEC IC . 0.6186 0.8150 0.9146 0.1643 0.0008 0.0036 201 HEC v CMD ? ? 1 +59464 C CAD . HEC IC . 0.6633 0.8077 0.9215 0.1655 -0.0001 0.0072 201 HEC v CAD ? ? 1 +59465 C CBD . HEC IC . 0.6783 0.8155 0.9288 0.1794 -0.0007 0.0064 201 HEC v CBD ? ? 1 +59466 C CGD . HEC IC . 0.6846 0.8183 0.9316 0.1866 -0.0035 0.0089 201 HEC v CGD ? ? 1 +59467 O O1D . HEC IC . 0.7040 0.8157 0.9344 0.1877 -0.0034 0.0102 201 HEC v O1D ? ? 1 +59468 O O2D . HEC IC . 0.6713 0.8248 0.9323 0.1911 -0.0058 0.0096 201 HEC v O2D ? ? 1 +59469 O O1 A OEX ID . 0.2055 0.7995 0.8465 -0.0117 0.0102 0.0123 413 OEX A O1 ? ? 1 +59470 O O1 B OEX ID . 0.1947 0.7891 0.8361 -0.0116 0.0103 0.0123 413 OEX A O1 ? ? 1 +59471 CA CA1 A OEX ID . 0.1977 0.8023 0.8537 -0.0103 0.0097 0.0126 413 OEX A CA1 ? ? 1 +59472 CA CA1 B OEX ID . 0.1859 0.7904 0.8419 -0.0099 0.0103 0.0124 413 OEX A CA1 ? ? 1 +59473 MN MN1 A OEX ID . 0.1981 0.7875 0.8332 -0.0139 0.0046 0.0133 413 OEX A MN1 ? ? 1 +59474 MN MN1 B OEX ID . 0.1867 0.7768 0.8225 -0.0140 0.0048 0.0134 413 OEX A MN1 ? ? 1 +59475 O O2 A OEX ID . 0.2092 0.8108 0.8550 -0.0127 0.0193 0.0126 413 OEX A O2 ? ? 1 +59476 O O2 B OEX ID . 0.1980 0.8006 0.8456 -0.0124 0.0188 0.0126 413 OEX A O2 ? ? 1 +59477 MN MN2 A OEX ID . 0.2129 0.8028 0.8460 -0.0113 0.0162 0.0115 413 OEX A MN2 ? ? 1 +59478 MN MN2 B OEX ID . 0.2017 0.7922 0.8355 -0.0113 0.0161 0.0116 413 OEX A MN2 ? ? 1 +59479 O O3 A OEX ID . 0.2071 0.8008 0.8447 -0.0139 0.0111 0.0135 413 OEX A O3 ? ? 1 +59480 O O3 B OEX ID . 0.1968 0.7913 0.8354 -0.0140 0.0112 0.0136 413 OEX A O3 ? ? 1 +59481 MN MN3 A OEX ID . 0.2045 0.8074 0.8516 -0.0157 0.0140 0.0149 413 OEX A MN3 ? ? 1 +59482 MN MN3 B OEX ID . 0.1952 0.7993 0.8438 -0.0156 0.0142 0.0148 413 OEX A MN3 ? ? 1 +59483 O O4 A OEX ID . 0.2053 0.8192 0.8646 -0.0175 0.0163 0.0159 413 OEX A O4 ? ? 1 +59484 O O4 B OEX ID . 0.1996 0.8149 0.8609 -0.0172 0.0163 0.0157 413 OEX A O4 ? ? 1 +59485 MN MN4 A OEX ID . 0.2148 0.8327 0.8816 -0.0166 0.0105 0.0164 413 OEX A MN4 ? ? 1 +59486 MN MN4 B OEX ID . 0.2194 0.8379 0.8870 -0.0166 0.0101 0.0164 413 OEX A MN4 ? ? 1 +59487 O O5 A OEX ID . 0.2034 0.8123 0.8605 -0.0143 0.0113 0.0146 413 OEX A O5 ? ? 1 +59488 O O5 B OEX ID . 0.1973 0.8068 0.8553 -0.0141 0.0112 0.0146 413 OEX A O5 ? ? 1 +59489 C C1 . BCR IE . 0.2790 1.0620 1.1091 -0.0560 0.0717 0.0263 619 BCR B C1 ? ? 1 +59490 C C2 . BCR IE . 0.2726 1.0711 1.1184 -0.0555 0.0732 0.0225 619 BCR B C2 ? ? 1 +59491 C C3 . BCR IE . 0.2773 1.0786 1.1243 -0.0552 0.0810 0.0222 619 BCR B C3 ? ? 1 +59492 C C4 . BCR IE . 0.2881 1.0829 1.1312 -0.0612 0.0882 0.0241 619 BCR B C4 ? ? 1 +59493 C C5 . BCR IE . 0.2936 1.0730 1.1214 -0.0623 0.0867 0.0279 619 BCR B C5 ? ? 1 +59494 C C6 . BCR IE . 0.2828 1.0572 1.1051 -0.0598 0.0790 0.0288 619 BCR B C6 ? ? 1 +59495 C C7 . BCR IE . 0.2858 1.0463 1.0944 -0.0606 0.0771 0.0322 619 BCR B C7 ? ? 1 +59496 C C8 . BCR IE . 0.2881 1.0370 1.0836 -0.0608 0.0811 0.0352 619 BCR B C8 ? ? 1 +59497 C C9 . BCR IE . 0.2851 1.0214 1.0678 -0.0608 0.0784 0.0381 619 BCR B C9 ? ? 1 +59498 C C10 . BCR IE . 0.2812 1.0065 1.0500 -0.0592 0.0815 0.0409 619 BCR B C10 ? ? 1 +59499 C C11 . BCR IE . 0.2688 0.9816 1.0239 -0.0580 0.0789 0.0437 619 BCR B C11 ? ? 1 +59500 C C33 . BCR IE . 0.3039 1.0744 1.1236 -0.0662 0.0945 0.0304 619 BCR B C33 ? ? 1 +59501 C C31 . BCR IE . 0.2834 1.0607 1.1036 -0.0496 0.0681 0.0275 619 BCR B C31 ? ? 1 +59502 C C32 . BCR IE . 0.2760 1.0575 1.1075 -0.0583 0.0656 0.0263 619 BCR B C32 ? ? 1 +59503 C C34 . BCR IE . 0.2870 1.0208 1.0699 -0.0623 0.0724 0.0384 619 BCR B C34 ? ? 1 +59504 C C12 . BCR IE . 0.2665 0.9697 1.0088 -0.0561 0.0821 0.0459 619 BCR B C12 ? ? 1 +59505 C C13 . BCR IE . 0.2607 0.9514 0.9886 -0.0547 0.0800 0.0487 619 BCR B C13 ? ? 1 +59506 C C14 . BCR IE . 0.2655 0.9479 0.9815 -0.0528 0.0839 0.0505 619 BCR B C14 ? ? 1 +59507 C C15 . BCR IE . 0.2704 0.9408 0.9718 -0.0506 0.0823 0.0529 619 BCR B C15 ? ? 1 +59508 C C16 . BCR IE . 0.2758 0.9379 0.9649 -0.0484 0.0856 0.0545 619 BCR B C16 ? ? 1 +59509 C C17 . BCR IE . 0.2762 0.9269 0.9511 -0.0459 0.0828 0.0566 619 BCR B C17 ? ? 1 +59510 C C18 . BCR IE . 0.2827 0.9244 0.9442 -0.0434 0.0854 0.0581 619 BCR B C18 ? ? 1 +59511 C C19 . BCR IE . 0.2836 0.9148 0.9322 -0.0409 0.0810 0.0599 619 BCR B C19 ? ? 1 +59512 C C20 . BCR IE . 0.2939 0.9151 0.9280 -0.0382 0.0823 0.0615 619 BCR B C20 ? ? 1 +59513 C C21 . BCR IE . 0.2941 0.9064 0.9169 -0.0356 0.0770 0.0628 619 BCR B C21 ? ? 1 +59514 C C22 . BCR IE . 0.3038 0.9056 0.9115 -0.0327 0.0772 0.0642 619 BCR B C22 ? ? 1 +59515 C C23 . BCR IE . 0.3062 0.9015 0.9055 -0.0301 0.0705 0.0649 619 BCR B C23 ? ? 1 +59516 C C24 . BCR IE . 0.3167 0.9010 0.9009 -0.0274 0.0696 0.0664 619 BCR B C24 ? ? 1 +59517 C C25 . BCR IE . 0.3194 0.8982 0.8958 -0.0246 0.0624 0.0668 619 BCR B C25 ? ? 1 +59518 C C26 . BCR IE . 0.3079 0.8923 0.8904 -0.0232 0.0556 0.0651 619 BCR B C26 ? ? 1 +59519 C C27 . BCR IE . 0.3086 0.8875 0.8836 -0.0206 0.0484 0.0653 619 BCR B C27 ? ? 1 +59520 C C28 . BCR IE . 0.3196 0.8872 0.8818 -0.0200 0.0487 0.0678 619 BCR B C28 ? ? 1 +59521 C C29 . BCR IE . 0.3347 0.8951 0.8870 -0.0199 0.0555 0.0692 619 BCR B C29 ? ? 1 +59522 C C30 . BCR IE . 0.3354 0.9012 0.8963 -0.0235 0.0631 0.0693 619 BCR B C30 ? ? 1 +59523 C C35 . BCR IE . 0.2544 0.9406 0.9798 -0.0552 0.0737 0.0496 619 BCR B C35 ? ? 1 +59524 C C36 . BCR IE . 0.2835 0.9268 0.9445 -0.0431 0.0928 0.0576 619 BCR B C36 ? ? 1 +59525 C C37 . BCR IE . 0.3120 0.9103 0.9132 -0.0322 0.0846 0.0647 619 BCR B C37 ? ? 1 +59526 C C38 . BCR IE . 0.2921 0.8883 0.8888 -0.0239 0.0542 0.0627 619 BCR B C38 ? ? 1 +59527 C C39 . BCR IE . 0.3531 0.9123 0.9037 -0.0227 0.0699 0.0702 619 BCR B C39 ? ? 1 +59528 C C40 . BCR IE . 0.3364 0.8998 0.8994 -0.0269 0.0650 0.0712 619 BCR B C40 ? ? 1 +59529 MG MG . CLA IF . 0.6259 1.0414 1.1984 0.2697 0.0060 -0.0355 514 CLA C MG ? ? 1 +59530 C CHA . CLA IF . 0.6802 1.0759 1.2398 0.3005 0.0018 -0.0384 514 CLA C CHA ? ? 1 +59531 C CHB . CLA IF . 0.6000 1.0712 1.2149 0.2780 0.0008 -0.0373 514 CLA C CHB ? ? 1 +59532 C CHC . CLA IF . 0.5816 1.0268 1.1738 0.2448 0.0148 -0.0369 514 CLA C CHC ? ? 1 +59533 C CHD . CLA IF . 0.6564 1.0262 1.1940 0.2649 0.0155 -0.0390 514 CLA C CHD ? ? 1 +59534 N NA . CLA IF . 0.6374 1.0695 1.2233 0.2860 0.0025 -0.0376 514 CLA C NA ? ? 1 +59535 C C1A . CLA IF . 0.6610 1.0827 1.2398 0.2973 0.0007 -0.0384 514 CLA C C1A ? ? 1 +59536 C C2A . CLA IF . 0.6693 1.1057 1.2595 0.3074 -0.0035 -0.0392 514 CLA C C2A ? ? 1 +59537 C C3A . CLA IF . 0.6360 1.0949 1.2427 0.2996 -0.0043 -0.0385 514 CLA C C3A ? ? 1 +59538 C C4A . CLA IF . 0.6231 1.0774 1.2257 0.2869 0.0001 -0.0378 514 CLA C C4A ? ? 1 +59539 C CMA . CLA IF . 0.6293 1.0887 1.2360 0.2987 -0.0109 -0.0349 514 CLA C CMA ? ? 1 +59540 C CAA . CLA IF . 0.6969 1.1414 1.2938 0.3190 -0.0007 -0.0438 514 CLA C CAA ? ? 1 +59541 C CBA . CLA IF . 0.7088 1.1655 1.3147 0.3139 0.0062 -0.0471 514 CLA C CBA ? ? 1 +59542 C CGA . CLA IF . 0.7470 1.2163 1.3630 0.3248 0.0092 -0.0518 514 CLA C CGA ? ? 1 +59543 O O1A . CLA IF . 0.7717 1.2450 1.3915 0.3359 0.0057 -0.0528 514 CLA C O1A ? ? 1 +59544 O O2A . CLA IF . 0.8014 1.2782 1.4228 0.3224 0.0164 -0.0553 514 CLA C O2A ? ? 1 +59545 N NB . CLA IF . 0.5960 1.0468 1.1943 0.2627 0.0079 -0.0368 514 CLA C NB ? ? 1 +59546 C C1B . CLA IF . 0.5866 1.0574 1.2003 0.2663 0.0052 -0.0371 514 CLA C C1B ? ? 1 +59547 C C2B . CLA IF . 0.5626 1.0557 1.1926 0.2589 0.0072 -0.0378 514 CLA C C2B ? ? 1 +59548 C C3B . CLA IF . 0.5626 1.0466 1.1847 0.2493 0.0115 -0.0375 514 CLA C C3B ? ? 1 +59549 C C4B . CLA IF . 0.5796 1.0386 1.1831 0.2522 0.0112 -0.0369 514 CLA C C4B ? ? 1 +59550 C CMB . CLA IF . 0.5470 1.0641 1.1955 0.2611 0.0050 -0.0386 514 CLA C CMB ? ? 1 +59551 C CAB . CLA IF . 0.5493 1.0442 1.1785 0.2386 0.0151 -0.0377 514 CLA C CAB ? ? 1 +59552 C CBB . CLA IF . 0.5341 1.0495 1.1786 0.2349 0.0149 -0.0377 514 CLA C CBB ? ? 1 +59553 N NC . CLA IF . 0.6199 1.0301 1.1871 0.2581 0.0134 -0.0375 514 CLA C NC ? ? 1 +59554 C C1C . CLA IF . 0.6000 1.0226 1.1754 0.2483 0.0160 -0.0376 514 CLA C C1C ? ? 1 +59555 C C2C . CLA IF . 0.5995 1.0130 1.1668 0.2416 0.0205 -0.0389 514 CLA C C2C ? ? 1 +59556 C C3C . CLA IF . 0.6227 1.0141 1.1740 0.2474 0.0205 -0.0396 514 CLA C C3C ? ? 1 +59557 C C4C . CLA IF . 0.6318 1.0224 1.1840 0.2567 0.0162 -0.0385 514 CLA C C4C ? ? 1 +59558 C CMC . CLA IF . 0.5835 1.0070 1.1566 0.2315 0.0241 -0.0395 514 CLA C CMC ? ? 1 +59559 C CAC . CLA IF . 0.6371 1.0107 1.1742 0.2446 0.0240 -0.0413 514 CLA C CAC ? ? 1 +59560 C CBC . CLA IF . 0.6420 1.0226 1.1835 0.2516 0.0293 -0.0456 514 CLA C CBC ? ? 1 +59561 N ND . CLA IF . 0.6574 1.0509 1.2139 0.2803 0.0096 -0.0389 514 CLA C ND ? ? 1 +59562 C C1D . CLA IF . 0.6696 1.0396 1.2084 0.2762 0.0118 -0.0387 514 CLA C C1D ? ? 1 +59563 C C2D . CLA IF . 0.6971 1.0455 1.2207 0.2854 0.0104 -0.0388 514 CLA C C2D ? ? 1 +59564 C C3D . CLA IF . 0.6981 1.0577 1.2306 0.2950 0.0064 -0.0384 514 CLA C C3D ? ? 1 +59565 C C4D . CLA IF . 0.6784 1.0617 1.2282 0.2910 0.0059 -0.0383 514 CLA C C4D ? ? 1 +59566 C CMD . CLA IF . 0.7213 1.0430 1.2253 0.2862 0.0118 -0.0391 514 CLA C CMD ? ? 1 +59567 C CAD . CLA IF . 0.7137 1.0673 1.2425 0.3077 0.0024 -0.0381 514 CLA C CAD ? ? 1 +59568 O OBD . CLA IF . 0.7341 1.0658 1.2471 0.3142 0.0017 -0.0379 514 CLA C OBD ? ? 1 +59569 C CBD . CLA IF . 0.7024 1.0794 1.2486 0.3116 -0.0009 -0.0380 514 CLA C CBD ? ? 1 +59570 C CGD . CLA IF . 0.7096 1.0781 1.2494 0.3126 -0.0071 -0.0340 514 CLA C CGD ? ? 1 +59571 O O1D . CLA IF . 0.7043 1.0757 1.2459 0.3036 -0.0093 -0.0308 514 CLA C O1D ? ? 1 +59572 O O2D . CLA IF . 0.7308 1.0864 1.2614 0.3251 -0.0104 -0.0338 514 CLA C O2D ? ? 1 +59573 C CED . CLA IF . 0.7422 1.0801 1.2593 0.3259 -0.0152 -0.0297 514 CLA C CED ? ? 1 +59574 C C1 . CLA IF . 0.8422 1.3383 1.4789 0.3306 0.0195 -0.0597 514 CLA C C1 ? ? 1 +59575 C C2 . CLA IF . 0.8728 1.3834 1.5196 0.3218 0.0260 -0.0616 514 CLA C C2 ? ? 1 +59576 C C3 . CLA IF . 0.9269 1.4282 1.5656 0.3192 0.0322 -0.0634 514 CLA C C3 ? ? 1 +59577 C C4 . CLA IF . 0.9410 1.4171 1.5605 0.3250 0.0329 -0.0637 514 CLA C C4 ? ? 1 +59578 C C5 . CLA IF . 0.9480 1.4641 1.5968 0.3104 0.0385 -0.0650 514 CLA C C5 ? ? 1 +59579 C C6 . CLA IF . 0.9829 1.4818 1.6168 0.2993 0.0406 -0.0629 514 CLA C C6 ? ? 1 +59580 C C7 . CLA IF . 0.9974 1.5095 1.6397 0.2906 0.0468 -0.0643 514 CLA C C7 ? ? 1 +59581 C C8 . CLA IF . 1.0183 1.5116 1.6442 0.2825 0.0499 -0.0635 514 CLA C C8 ? ? 1 +59582 C C9 . CLA IF . 1.0222 1.4894 1.6281 0.2797 0.0459 -0.0605 514 CLA C C9 ? ? 1 +59583 C C10 . CLA IF . 1.0172 1.5200 1.6481 0.2749 0.0566 -0.0652 514 CLA C C10 ? ? 1 +59584 C C11 . CLA IF . 1.0088 1.5219 1.6466 0.2628 0.0556 -0.0625 514 CLA C C11 ? ? 1 +59585 C C12 . CLA IF . 0.9882 1.5266 1.6468 0.2632 0.0545 -0.0627 514 CLA C C12 ? ? 1 +59586 C C13 . CLA IF . 0.9601 1.5091 1.6255 0.2509 0.0554 -0.0608 514 CLA C C13 ? ? 1 +59587 C C14 . CLA IF . 0.9424 1.5106 1.6242 0.2501 0.0513 -0.0596 514 CLA C C14 ? ? 1 +59588 C C15 . CLA IF . 0.9351 1.4653 1.5846 0.2417 0.0530 -0.0574 514 CLA C C15 ? ? 1 +59589 C C16 . CLA IF . 0.8978 1.4353 1.5513 0.2296 0.0540 -0.0554 514 CLA C C16 ? ? 1 +59590 C C17 . CLA IF . 0.8836 1.4035 1.5233 0.2230 0.0489 -0.0516 514 CLA C C17 ? ? 1 +59591 C C18 . CLA IF . 0.8357 1.3543 1.4724 0.2108 0.0497 -0.0495 514 CLA C C18 ? ? 1 +59592 C C19 . CLA IF . 0.8129 1.3271 1.4468 0.2036 0.0437 -0.0454 514 CLA C C19 ? ? 1 +59593 C C20 . CLA IF . 0.8271 1.3515 1.4655 0.2063 0.0564 -0.0516 514 CLA C C20 ? ? 1 +59594 O O6 . SQD IG . 1.0090 1.1477 1.4792 -0.1665 0.0756 0.0424 103 SQD F O6 ? ? 1 +59595 C C44 . SQD IG . 1.0599 1.2091 1.5424 -0.1773 0.0798 0.0409 103 SQD F C44 ? ? 1 +59596 C C45 . SQD IG . 1.0848 1.2522 1.5849 -0.1840 0.0765 0.0350 103 SQD F C45 ? ? 1 +59597 C C46 . SQD IG . 1.0775 1.2582 1.5834 -0.1758 0.0684 0.0329 103 SQD F C46 ? ? 1 +59598 O O47 . SQD IG . 1.1317 1.2857 1.6293 -0.1931 0.0792 0.0315 103 SQD F O47 ? ? 1 +59599 C C7 . SQD IG . 1.1633 1.3282 1.6750 -0.2039 0.0803 0.0270 103 SQD F C7 ? ? 1 +59600 O O49 . SQD IG . 1.1776 1.3299 1.6860 -0.2111 0.0825 0.0243 103 SQD F O49 ? ? 1 +59601 C C8 . SQD IG . 1.1631 1.3548 1.6945 -0.2071 0.0787 0.0250 103 SQD F C8 ? ? 1 +59602 C C9 . SQD IG . 1.1687 1.3665 1.7125 -0.2204 0.0824 0.0209 103 SQD F C9 ? ? 1 +59603 C C10 . SQD IG . 1.1418 1.3666 1.7062 -0.2230 0.0777 0.0165 103 SQD F C10 ? ? 1 +59604 C C11 . SQD IG . 1.1070 1.3389 1.6846 -0.2360 0.0810 0.0120 103 SQD F C11 ? ? 1 +59605 O O48 . SQD IG . 1.0826 1.2862 1.6017 -0.1736 0.0663 0.0334 103 SQD F O48 ? ? 1 +59606 C C23 . SQD IG . 1.1125 1.3336 1.6429 -0.1709 0.0600 0.0301 103 SQD F C23 ? ? 1 +59607 O O10 . SQD IG . 1.1064 1.3248 1.6357 -0.1693 0.0560 0.0270 103 SQD F O10 ? ? 1 +59608 C C24 . SQD IG . 1.1136 1.3570 1.6575 -0.1701 0.0589 0.0309 103 SQD F C24 ? ? 1 +59609 C C25 . SQD IG . 1.1128 1.3768 1.6702 -0.1678 0.0523 0.0272 103 SQD F C25 ? ? 1 +59610 C C26 . SQD IG . 1.1367 1.4167 1.7107 -0.1772 0.0524 0.0230 103 SQD F C26 ? ? 1 +59611 C C27 . SQD IG . 1.1474 1.4500 1.7346 -0.1751 0.0503 0.0233 103 SQD F C27 ? ? 1 +59612 C C28 . SQD IG . 1.1583 1.4780 1.7623 -0.1827 0.0486 0.0184 103 SQD F C28 ? ? 1 +59613 C C29 . SQD IG . 1.1641 1.5048 1.7808 -0.1816 0.0477 0.0190 103 SQD F C29 ? ? 1 +59614 C C30 . SQD IG . 1.1524 1.5117 1.7859 -0.1871 0.0444 0.0138 103 SQD F C30 ? ? 1 +59615 C C31 . SQD IG . 1.1729 1.5291 1.8119 -0.1985 0.0479 0.0102 103 SQD F C31 ? ? 1 +59616 C C32 . SQD IG . 1.1882 1.5478 1.8332 -0.2021 0.0431 0.0043 103 SQD F C32 ? ? 1 +59617 C C33 . SQD IG . 1.2034 1.5817 1.8661 -0.2093 0.0418 -0.0003 103 SQD F C33 ? ? 1 +59618 C C34 . SQD IG . 1.1982 1.5971 1.8717 -0.2049 0.0392 0.0006 103 SQD F C34 ? ? 1 +59619 C C35 . SQD IG . 1.1815 1.5988 1.8690 -0.2059 0.0329 -0.0045 103 SQD F C35 ? ? 1 +59620 C C36 . SQD IG . 1.1549 1.5679 1.8380 -0.2028 0.0268 -0.0076 103 SQD F C36 ? ? 1 +59621 C C37 . SQD IG . 1.1159 1.5468 1.8086 -0.1987 0.0197 -0.0104 103 SQD F C37 ? ? 1 +59622 C C38 . SQD IG . 1.1054 1.5307 1.7921 -0.1951 0.0141 -0.0131 103 SQD F C38 ? ? 1 +59623 C C1 . SQD IG . 0.9730 1.1009 1.4300 -0.1591 0.0776 0.0480 103 SQD F C1 ? ? 1 +59624 C C2 . SQD IG . 0.9839 1.0836 1.4208 -0.1568 0.0805 0.0503 103 SQD F C2 ? ? 1 +59625 O O2 . SQD IG . 1.0018 1.0884 1.4365 -0.1677 0.0854 0.0479 103 SQD F O2 ? ? 1 +59626 C C3 . SQD IG . 0.9784 1.0683 1.4030 -0.1515 0.0840 0.0563 103 SQD F C3 ? ? 1 +59627 O O3 . SQD IG . 1.0085 1.0723 1.4133 -0.1471 0.0858 0.0589 103 SQD F O3 ? ? 1 +59628 C C4 . SQD IG . 0.9430 1.0494 1.3722 -0.1410 0.0789 0.0585 103 SQD F C4 ? ? 1 +59629 O O4 . SQD IG . 0.9278 1.0314 1.3517 -0.1405 0.0833 0.0632 103 SQD F O4 ? ? 1 +59630 C C5 . SQD IG . 0.9094 1.0442 1.3594 -0.1425 0.0743 0.0549 103 SQD F C5 ? ? 1 +59631 C C6 . SQD IG . 0.8720 1.0206 1.3253 -0.1312 0.0679 0.0560 103 SQD F C6 ? ? 1 +59632 O O5 . SQD IG . 0.9312 1.0700 1.3894 -0.1479 0.0719 0.0495 103 SQD F O5 ? ? 1 +59633 S S . SQD IG . 0.8261 1.0062 1.3019 -0.1329 0.0634 0.0526 103 SQD F S ? ? 1 +59634 O O7 . SQD IG . 0.8221 1.0066 1.3068 -0.1400 0.0621 0.0474 103 SQD F O7 ? ? 1 +59635 O O8 . SQD IG . 0.8206 1.0083 1.3026 -0.1392 0.0683 0.0543 103 SQD F O8 ? ? 1 +59636 O O9 . SQD IG . 0.8130 1.0029 1.2896 -0.1220 0.0579 0.0539 103 SQD F O9 ? ? 1 +59637 MG MG A CLA IH . 0.5008 0.9664 0.9981 -0.0464 -0.0533 -0.0271 405 CLA a MG ? ? 1 +59638 MG MG B CLA IH . 0.4687 0.9352 0.9667 -0.0464 -0.0535 -0.0270 405 CLA a MG ? ? 1 +59639 C CHA A CLA IH . 0.4728 0.9271 0.9494 -0.0315 -0.0474 -0.0237 405 CLA a CHA ? ? 1 +59640 C CHA B CLA IH . 0.4439 0.8982 0.9207 -0.0316 -0.0474 -0.0237 405 CLA a CHA ? ? 1 +59641 C CHB A CLA IH . 0.4938 0.9526 0.9769 -0.0494 -0.0639 -0.0364 405 CLA a CHB ? ? 1 +59642 C CHB B CLA IH . 0.4625 0.9221 0.9464 -0.0495 -0.0640 -0.0364 405 CLA a CHB ? ? 1 +59643 C CHC A CLA IH . 0.4479 0.9372 0.9724 -0.0589 -0.0602 -0.0294 405 CLA a CHC ? ? 1 +59644 C CHC B CLA IH . 0.4142 0.9046 0.9394 -0.0586 -0.0603 -0.0292 405 CLA a CHC ? ? 1 +59645 C CHD A CLA IH . 0.4296 0.9133 0.9456 -0.0405 -0.0456 -0.0165 405 CLA a CHD ? ? 1 +59646 C CHD B CLA IH . 0.3993 0.8833 0.9154 -0.0404 -0.0456 -0.0164 405 CLA a CHD ? ? 1 +59647 N NA A CLA IH . 0.4893 0.9477 0.9722 -0.0414 -0.0553 -0.0292 405 CLA a NA ? ? 1 +59648 N NA B CLA IH . 0.4600 0.9187 0.9433 -0.0415 -0.0553 -0.0292 405 CLA a NA ? ? 1 +59649 C C1A A CLA IH . 0.4869 0.9405 0.9620 -0.0357 -0.0524 -0.0276 405 CLA a C1A ? ? 1 +59650 C C1A B CLA IH . 0.4594 0.9130 0.9347 -0.0359 -0.0524 -0.0277 405 CLA a C1A ? ? 1 +59651 C C2A A CLA IH . 0.5034 0.9492 0.9665 -0.0336 -0.0543 -0.0304 405 CLA a C2A ? ? 1 +59652 C C2A B CLA IH . 0.4783 0.9240 0.9415 -0.0339 -0.0544 -0.0305 405 CLA a C2A ? ? 1 +59653 C C3A A CLA IH . 0.5067 0.9524 0.9713 -0.0396 -0.0595 -0.0346 405 CLA a C3A ? ? 1 +59654 C C3A B CLA IH . 0.4800 0.9257 0.9448 -0.0398 -0.0595 -0.0348 405 CLA a C3A ? ? 1 +59655 C C4A A CLA IH . 0.4968 0.9519 0.9747 -0.0438 -0.0596 -0.0333 405 CLA a C4A ? ? 1 +59656 C C4A B CLA IH . 0.4682 0.9236 0.9465 -0.0440 -0.0597 -0.0333 405 CLA a C4A ? ? 1 +59657 C CMA A CLA IH . 0.5191 0.9522 0.9754 -0.0424 -0.0598 -0.0384 405 CLA a CMA ? ? 1 +59658 C CMA B CLA IH . 0.4923 0.9253 0.9489 -0.0427 -0.0599 -0.0386 405 CLA a CMA ? ? 1 +59659 C CAA A CLA IH . 0.5074 0.9578 0.9678 -0.0287 -0.0544 -0.0286 405 CLA a CAA ? ? 1 +59660 C CAA B CLA IH . 0.4865 0.9368 0.9470 -0.0289 -0.0545 -0.0288 405 CLA a CAA ? ? 1 +59661 C CBA A CLA IH . 0.4998 0.9632 0.9713 -0.0304 -0.0568 -0.0269 405 CLA a CBA ? ? 1 +59662 C CBA B CLA IH . 0.4827 0.9461 0.9542 -0.0302 -0.0566 -0.0268 405 CLA a CBA ? ? 1 +59663 C CGA A CLA IH . 0.5078 0.9748 0.9757 -0.0269 -0.0586 -0.0263 405 CLA a CGA ? ? 1 +59664 C CGA B CLA IH . 0.4965 0.9634 0.9643 -0.0268 -0.0584 -0.0262 405 CLA a CGA ? ? 1 +59665 O O1A A CLA IH . 0.5176 0.9784 0.9753 -0.0228 -0.0573 -0.0264 405 CLA a O1A ? ? 1 +59666 O O1A B CLA IH . 0.5081 0.9685 0.9653 -0.0229 -0.0574 -0.0266 405 CLA a O1A ? ? 1 +59667 O O2A A CLA IH . 0.5179 0.9959 0.9945 -0.0284 -0.0617 -0.0253 405 CLA a O2A ? ? 1 +59668 O O2A B CLA IH . 0.5177 0.9956 0.9942 -0.0282 -0.0615 -0.0252 405 CLA a O2A ? ? 1 +59669 N NB A CLA IH . 0.4777 0.9508 0.9809 -0.0529 -0.0607 -0.0318 405 CLA a NB ? ? 1 +59670 N NB B CLA IH . 0.4451 0.9192 0.9490 -0.0529 -0.0608 -0.0317 405 CLA a NB ? ? 1 +59671 C C1B A CLA IH . 0.4818 0.9506 0.9781 -0.0538 -0.0646 -0.0357 405 CLA a C1B ? ? 1 +59672 C C1B B CLA IH . 0.4490 0.9187 0.9460 -0.0538 -0.0647 -0.0355 405 CLA a C1B ? ? 1 +59673 C C2B A CLA IH . 0.4786 0.9543 0.9814 -0.0587 -0.0700 -0.0390 405 CLA a C2B ? ? 1 +59674 C C2B B CLA IH . 0.4456 0.9221 0.9491 -0.0587 -0.0701 -0.0389 405 CLA a C2B ? ? 1 +59675 C C3B A CLA IH . 0.4644 0.9494 0.9798 -0.0614 -0.0685 -0.0368 405 CLA a C3B ? ? 1 +59676 C C3B B CLA IH . 0.4319 0.9180 0.9480 -0.0613 -0.0687 -0.0367 405 CLA a C3B ? ? 1 +59677 C C4B A CLA IH . 0.4624 0.9443 0.9766 -0.0578 -0.0629 -0.0326 405 CLA a C4B ? ? 1 +59678 C C4B B CLA IH . 0.4290 0.9121 0.9441 -0.0578 -0.0631 -0.0324 405 CLA a C4B ? ? 1 +59679 C CMB A CLA IH . 0.4872 0.9609 0.9849 -0.0604 -0.0756 -0.0437 405 CLA a CMB ? ? 1 +59680 C CMB B CLA IH . 0.4539 0.9281 0.9520 -0.0604 -0.0756 -0.0436 405 CLA a CMB ? ? 1 +59681 C CAB A CLA IH . 0.4575 0.9523 0.9840 -0.0667 -0.0722 -0.0390 405 CLA a CAB ? ? 1 +59682 C CAB B CLA IH . 0.4266 0.9223 0.9535 -0.0667 -0.0727 -0.0391 405 CLA a CAB ? ? 1 +59683 C CBB A CLA IH . 0.4459 0.9470 0.9828 -0.0698 -0.0702 -0.0374 405 CLA a CBB ? ? 1 +59684 C CBB B CLA IH . 0.4160 0.9180 0.9537 -0.0704 -0.0711 -0.0381 405 CLA a CBB ? ? 1 +59685 N NC A CLA IH . 0.4507 0.9325 0.9657 -0.0489 -0.0529 -0.0235 405 CLA a NC ? ? 1 +59686 N NC B CLA IH . 0.4180 0.9007 0.9336 -0.0488 -0.0529 -0.0233 405 CLA a NC ? ? 1 +59687 C C1C A CLA IH . 0.4422 0.9317 0.9667 -0.0542 -0.0556 -0.0249 405 CLA a C1C ? ? 1 +59688 C C1C B CLA IH . 0.4091 0.8994 0.9341 -0.0539 -0.0556 -0.0247 405 CLA a C1C ? ? 1 +59689 C C2C A CLA IH . 0.4236 0.9231 0.9592 -0.0546 -0.0540 -0.0217 405 CLA a C2C ? ? 1 +59690 C C2C B CLA IH . 0.3905 0.8907 0.9265 -0.0543 -0.0540 -0.0214 405 CLA a C2C ? ? 1 +59691 C C3C A CLA IH . 0.4173 0.9145 0.9497 -0.0492 -0.0499 -0.0179 405 CLA a C3C ? ? 1 +59692 C C3C B CLA IH . 0.3846 0.8825 0.9175 -0.0490 -0.0499 -0.0177 405 CLA a C3C ? ? 1 +59693 C C4C A CLA IH . 0.4318 0.9186 0.9523 -0.0464 -0.0495 -0.0195 405 CLA a C4C ? ? 1 +59694 C C4C B CLA IH . 0.3999 0.8873 0.9209 -0.0462 -0.0495 -0.0193 405 CLA a C4C ? ? 1 +59695 C CMC A CLA IH . 0.4134 0.9230 0.9608 -0.0592 -0.0559 -0.0221 405 CLA a CMC ? ? 1 +59696 C CMC B CLA IH . 0.3799 0.8903 0.9277 -0.0589 -0.0560 -0.0218 405 CLA a CMC ? ? 1 +59697 C CAC A CLA IH . 0.4028 0.9065 0.9423 -0.0471 -0.0468 -0.0138 405 CLA a CAC ? ? 1 +59698 C CAC B CLA IH . 0.3701 0.8746 0.9103 -0.0471 -0.0469 -0.0137 405 CLA a CAC ? ? 1 +59699 C CBC A CLA IH . 0.4021 0.9019 0.9441 -0.0507 -0.0445 -0.0137 405 CLA a CBC ? ? 1 +59700 C CBC B CLA IH . 0.3700 0.8703 0.9124 -0.0506 -0.0446 -0.0136 405 CLA a CBC ? ? 1 +59701 N ND A CLA IH . 0.4603 0.9316 0.9585 -0.0382 -0.0488 -0.0213 405 CLA a ND ? ? 1 +59702 N ND B CLA IH . 0.4302 0.9017 0.9286 -0.0381 -0.0488 -0.0212 405 CLA a ND ? ? 1 +59703 C C1D A CLA IH . 0.4415 0.9168 0.9463 -0.0367 -0.0450 -0.0176 405 CLA a C1D ? ? 1 +59704 C C1D B CLA IH . 0.4114 0.8869 0.9163 -0.0367 -0.0450 -0.0175 405 CLA a C1D ? ? 1 +59705 C C2D A CLA IH . 0.4379 0.9086 0.9373 -0.0309 -0.0408 -0.0152 405 CLA a C2D ? ? 1 +59706 C C2D B CLA IH . 0.4086 0.8795 0.9081 -0.0308 -0.0408 -0.0152 405 CLA a C2D ? ? 1 +59707 C C3D A CLA IH . 0.4510 0.9133 0.9392 -0.0291 -0.0418 -0.0178 405 CLA a C3D ? ? 1 +59708 C C3D B CLA IH . 0.4217 0.8840 0.9099 -0.0291 -0.0418 -0.0178 405 CLA a C3D ? ? 1 +59709 C C4D A CLA IH . 0.4608 0.9233 0.9488 -0.0334 -0.0461 -0.0210 405 CLA a C4D ? ? 1 +59710 C C4D B CLA IH . 0.4314 0.8939 0.9195 -0.0334 -0.0461 -0.0210 405 CLA a C4D ? ? 1 +59711 C CMD A CLA IH . 0.4286 0.9016 0.9315 -0.0272 -0.0367 -0.0115 405 CLA a CMD ? ? 1 +59712 C CMD B CLA IH . 0.3992 0.8726 0.9024 -0.0272 -0.0367 -0.0115 405 CLA a CMD ? ? 1 +59713 C CAD A CLA IH . 0.4597 0.9133 0.9367 -0.0240 -0.0397 -0.0183 405 CLA a CAD ? ? 1 +59714 C CAD B CLA IH . 0.4306 0.8841 0.9077 -0.0241 -0.0397 -0.0183 405 CLA a CAD ? ? 1 +59715 O OBD A CLA IH . 0.4540 0.9056 0.9289 -0.0191 -0.0356 -0.0160 405 CLA a OBD ? ? 1 +59716 O OBD B CLA IH . 0.4251 0.8765 0.8999 -0.0192 -0.0357 -0.0161 405 CLA a OBD ? ? 1 +59717 C CBD A CLA IH . 0.4726 0.9201 0.9413 -0.0255 -0.0431 -0.0221 405 CLA a CBD ? ? 1 +59718 C CBD B CLA IH . 0.4435 0.8910 0.9122 -0.0257 -0.0432 -0.0222 405 CLA a CBD ? ? 1 +59719 C CGD A CLA IH . 0.4829 0.9170 0.9419 -0.0259 -0.0422 -0.0248 405 CLA a CGD ? ? 1 +59720 C CGD B CLA IH . 0.4532 0.8874 0.9124 -0.0261 -0.0423 -0.0248 405 CLA a CGD ? ? 1 +59721 O O1D A CLA IH . 0.4836 0.9137 0.9444 -0.0286 -0.0411 -0.0250 405 CLA a O1D ? ? 1 +59722 O O1D B CLA IH . 0.4552 0.8854 0.9164 -0.0294 -0.0417 -0.0254 405 CLA a O1D ? ? 1 +59723 O O2D A CLA IH . 0.4939 0.9187 0.9405 -0.0230 -0.0425 -0.0272 405 CLA a O2D ? ? 1 +59724 O O2D B CLA IH . 0.4624 0.8873 0.9092 -0.0227 -0.0421 -0.0268 405 CLA a O2D ? ? 1 +59725 C CED A CLA IH . 0.5079 0.9197 0.9457 -0.0238 -0.0417 -0.0297 405 CLA a CED ? ? 1 +59726 C CED B CLA IH . 0.4768 0.8884 0.9144 -0.0231 -0.0412 -0.0294 405 CLA a CED ? ? 1 +59727 C C1 A CLA IH . 0.5376 1.0179 1.0096 -0.0251 -0.0637 -0.0248 405 CLA a C1 ? ? 1 +59728 C C1 B CLA IH . 0.5497 1.0302 1.0220 -0.0251 -0.0636 -0.0247 405 CLA a C1 ? ? 1 +59729 C C2 A CLA IH . 0.5626 1.0411 1.0303 -0.0275 -0.0700 -0.0291 405 CLA a C2 ? ? 1 +59730 C C2 B CLA IH . 0.5874 1.0657 1.0548 -0.0273 -0.0698 -0.0290 405 CLA a C2 ? ? 1 +59731 C C3 A CLA IH . 0.5963 1.0685 1.0520 -0.0243 -0.0714 -0.0305 405 CLA a C3 ? ? 1 +59732 C C3 B CLA IH . 0.6363 1.1088 1.0920 -0.0240 -0.0714 -0.0303 405 CLA a C3 ? ? 1 +59733 C C4 A CLA IH . 0.5995 1.0666 1.0467 -0.0185 -0.0663 -0.0277 405 CLA a C4 ? ? 1 +59734 C C4 B CLA IH . 0.6350 1.1029 1.0821 -0.0182 -0.0666 -0.0275 405 CLA a C4 ? ? 1 +59735 C C5 A CLA IH . 0.6261 1.0964 1.0769 -0.0263 -0.0781 -0.0349 405 CLA a C5 ? ? 1 +59736 C C5 B CLA IH . 0.6862 1.1569 1.1373 -0.0262 -0.0781 -0.0348 405 CLA a C5 ? ? 1 +59737 C C6 A CLA IH . 0.6663 1.1256 1.1087 -0.0283 -0.0791 -0.0392 405 CLA a C6 ? ? 1 +59738 C C6 B CLA IH . 0.7546 1.2142 1.1971 -0.0282 -0.0791 -0.0390 405 CLA a C6 ? ? 1 +59739 C C7 A CLA IH . 0.6885 1.1493 1.1404 -0.0339 -0.0784 -0.0402 405 CLA a C7 ? ? 1 +59740 C C7 B CLA IH . 0.8082 1.2692 1.2601 -0.0340 -0.0787 -0.0404 405 CLA a C7 ? ? 1 +59741 C C8 A CLA IH . 0.7255 1.1768 1.1721 -0.0379 -0.0800 -0.0449 405 CLA a C8 ? ? 1 +59742 C C8 B CLA IH . 0.8761 1.3273 1.3224 -0.0378 -0.0801 -0.0449 405 CLA a C8 ? ? 1 +59743 C C9 A CLA IH . 0.7293 1.1721 1.1734 -0.0382 -0.0748 -0.0442 405 CLA a C9 ? ? 1 +59744 C C9 B CLA IH . 0.8708 1.3134 1.3142 -0.0378 -0.0747 -0.0441 405 CLA a C9 ? ? 1 +59745 C C10 A CLA IH . 0.7582 1.2072 1.2003 -0.0408 -0.0868 -0.0501 405 CLA a C10 ? ? 1 +59746 C C10 B CLA IH . 0.9500 1.3990 1.3922 -0.0409 -0.0869 -0.0503 405 CLA a C10 ? ? 1 +59747 C C11 A CLA IH . 0.8012 1.2367 1.2306 -0.0414 -0.0877 -0.0543 405 CLA a C11 ? ? 1 +59748 C C11 B CLA IH . 1.0415 1.4770 1.4707 -0.0415 -0.0878 -0.0544 405 CLA a C11 ? ? 1 +59749 C C12 A CLA IH . 0.8321 1.2689 1.2611 -0.0454 -0.0952 -0.0596 405 CLA a C12 ? ? 1 +59750 C C12 B CLA IH . 1.1214 1.5583 1.5506 -0.0457 -0.0954 -0.0597 405 CLA a C12 ? ? 1 +59751 C C13 A CLA IH . 0.8698 1.2956 1.2918 -0.0495 -0.0969 -0.0647 405 CLA a C13 ? ? 1 +59752 C C13 B CLA IH . 1.2091 1.6346 1.6309 -0.0496 -0.0970 -0.0648 405 CLA a C13 ? ? 1 +59753 C C14 A CLA IH . 0.8709 1.3027 1.3025 -0.0568 -0.1025 -0.0691 405 CLA a C14 ? ? 1 +59754 C C14 B CLA IH . 1.2139 1.6451 1.6452 -0.0570 -0.1024 -0.0693 405 CLA a C14 ? ? 1 +59755 C C15 A CLA IH . 0.9066 1.3219 1.3122 -0.0456 -0.0989 -0.0671 405 CLA a C15 ? ? 1 +59756 C C15 B CLA IH . 1.2897 1.7049 1.6950 -0.0455 -0.0990 -0.0671 405 CLA a C15 ? ? 1 +59757 C C16 A CLA IH . 0.9315 1.3504 1.3351 -0.0464 -0.1068 -0.0710 405 CLA a C16 ? ? 1 +59758 C C16 B CLA IH . 1.3563 1.7749 1.7592 -0.0460 -0.1067 -0.0709 405 CLA a C16 ? ? 1 +59759 C C17 A CLA IH . 0.9619 1.3674 1.3489 -0.0448 -0.1090 -0.0750 405 CLA a C17 ? ? 1 +59760 C C17 B CLA IH . 1.4095 1.8147 1.7958 -0.0444 -0.1089 -0.0750 405 CLA a C17 ? ? 1 +59761 C C18 A CLA IH . 0.9732 1.3800 1.3537 -0.0432 -0.1163 -0.0783 405 CLA a C18 ? ? 1 +59762 C C18 B CLA IH . 1.4272 1.8337 1.8073 -0.0432 -0.1163 -0.0784 405 CLA a C18 ? ? 1 +59763 C C19 A CLA IH . 0.9638 1.3826 1.3502 -0.0406 -0.1196 -0.0760 405 CLA a C19 ? ? 1 +59764 C C19 B CLA IH . 1.4183 1.8370 1.8046 -0.0406 -0.1197 -0.0761 405 CLA a C19 ? ? 1 +59765 C C20 A CLA IH . 0.9900 1.3872 1.3592 -0.0450 -0.1216 -0.0844 405 CLA a C20 ? ? 1 +59766 C C20 B CLA IH . 1.4392 1.8359 1.8080 -0.0450 -0.1216 -0.0845 405 CLA a C20 ? ? 1 +59767 MG MG . CLA II . 0.1454 0.8691 0.8905 -0.0440 -0.0803 -0.0055 613 CLA b MG ? ? 1 +59768 C CHA . CLA II . 0.1524 0.8632 0.8770 -0.0323 -0.0835 0.0015 613 CLA b CHA ? ? 1 +59769 C CHB . CLA II . 0.1575 0.8804 0.8967 -0.0451 -0.0903 -0.0123 613 CLA b CHB ? ? 1 +59770 C CHC . CLA II . 0.1353 0.8652 0.8962 -0.0576 -0.0730 -0.0108 613 CLA b CHC ? ? 1 +59771 C CHD . CLA II . 0.1297 0.8486 0.8762 -0.0439 -0.0682 0.0024 613 CLA b CHD ? ? 1 +59772 N NA . CLA II . 0.1551 0.8720 0.8879 -0.0393 -0.0856 -0.0050 613 CLA b NA ? ? 1 +59773 C C1A . CLA II . 0.1570 0.8700 0.8830 -0.0346 -0.0868 -0.0023 613 CLA b C1A ? ? 1 +59774 C C2A . CLA II . 0.1691 0.8792 0.8877 -0.0317 -0.0917 -0.0034 613 CLA b C2A ? ? 1 +59775 C C3A . CLA II . 0.1696 0.8828 0.8922 -0.0360 -0.0936 -0.0077 613 CLA b C3A ? ? 1 +59776 C C4A . CLA II . 0.1601 0.8780 0.8922 -0.0406 -0.0895 -0.0084 613 CLA b C4A ? ? 1 +59777 C CMA . CLA II . 0.1768 0.8813 0.8899 -0.0374 -0.0929 -0.0074 613 CLA b CMA ? ? 1 +59778 C CAA . CLA II . 0.1779 0.8919 0.8971 -0.0267 -0.0964 -0.0037 613 CLA b CAA ? ? 1 +59779 C CBA . CLA II . 0.1934 0.9054 0.9058 -0.0238 -0.1021 -0.0055 613 CLA b CBA ? ? 1 +59780 C CGA . CLA II . 0.2114 0.9126 0.9105 -0.0213 -0.1009 -0.0021 613 CLA b CGA ? ? 1 +59781 O O1A . CLA II . 0.2197 0.9174 0.9125 -0.0167 -0.1021 0.0002 613 CLA b O1A ? ? 1 +59782 O O2A . CLA II . 0.2268 0.9213 0.9200 -0.0242 -0.0979 -0.0016 613 CLA b O2A ? ? 1 +59783 N NB . CLA II . 0.1442 0.8704 0.8941 -0.0506 -0.0812 -0.0106 613 CLA b NB ? ? 1 +59784 C C1B . CLA II . 0.1505 0.8770 0.8981 -0.0503 -0.0860 -0.0134 613 CLA b C1B ? ? 1 +59785 C C2B . CLA II . 0.1528 0.8822 0.9056 -0.0558 -0.0864 -0.0175 613 CLA b C2B ? ? 1 +59786 C C3B . CLA II . 0.1475 0.8785 0.9065 -0.0597 -0.0808 -0.0168 613 CLA b C3B ? ? 1 +59787 C C4B . CLA II . 0.1402 0.8696 0.8971 -0.0558 -0.0784 -0.0127 613 CLA b C4B ? ? 1 +59788 C CMB . CLA II . 0.1593 0.8893 0.9107 -0.0570 -0.0914 -0.0214 613 CLA b CMB ? ? 1 +59789 C CAB . CLA II . 0.1474 0.8812 0.9136 -0.0661 -0.0780 -0.0197 613 CLA b CAB ? ? 1 +59790 C CBB . CLA II . 0.1516 0.8885 0.9212 -0.0695 -0.0807 -0.0239 613 CLA b CBB ? ? 1 +59791 N NC . CLA II . 0.1361 0.8599 0.8873 -0.0490 -0.0725 -0.0041 613 CLA b NC ? ? 1 +59792 C C1C . CLA II . 0.1345 0.8615 0.8922 -0.0542 -0.0705 -0.0067 613 CLA b C1C ? ? 1 +59793 C C2C . CLA II . 0.1312 0.8575 0.8919 -0.0568 -0.0649 -0.0051 613 CLA b C2C ? ? 1 +59794 C C3C . CLA II . 0.1279 0.8513 0.8845 -0.0526 -0.0638 -0.0014 613 CLA b C3C ? ? 1 +59795 C C4C . CLA II . 0.1307 0.8532 0.8825 -0.0484 -0.0685 -0.0012 613 CLA b C4C ? ? 1 +59796 C CMC . CLA II . 0.1327 0.8606 0.8989 -0.0624 -0.0613 -0.0071 613 CLA b CMC ? ? 1 +59797 C CAC . CLA II . 0.1257 0.8473 0.8829 -0.0528 -0.0590 0.0014 613 CLA b CAC ? ? 1 +59798 C CBC . CLA II . 0.1266 0.8388 0.8752 -0.0534 -0.0558 0.0043 613 CLA b CBC ? ? 1 +59799 N ND . CLA II . 0.1389 0.8563 0.8775 -0.0395 -0.0766 0.0004 613 CLA b ND ? ? 1 +59800 C C1D . CLA II . 0.1338 0.8495 0.8734 -0.0400 -0.0718 0.0032 613 CLA b C1D ? ? 1 +59801 C C2D . CLA II . 0.1349 0.8466 0.8686 -0.0355 -0.0718 0.0067 613 CLA b C2D ? ? 1 +59802 C C3D . CLA II . 0.1426 0.8523 0.8705 -0.0327 -0.0763 0.0060 613 CLA b C3D ? ? 1 +59803 C C4D . CLA II . 0.1445 0.8568 0.8747 -0.0353 -0.0786 0.0025 613 CLA b C4D ? ? 1 +59804 C CMD . CLA II . 0.1325 0.8416 0.8650 -0.0339 -0.0684 0.0101 613 CLA b CMD ? ? 1 +59805 C CAD . CLA II . 0.1482 0.8530 0.8675 -0.0282 -0.0787 0.0079 613 CLA b CAD ? ? 1 +59806 O OBD . CLA II . 0.1477 0.8487 0.8629 -0.0253 -0.0772 0.0111 613 CLA b OBD ? ? 1 +59807 C CBD . CLA II . 0.1561 0.8612 0.8726 -0.0275 -0.0835 0.0051 613 CLA b CBD ? ? 1 +59808 C CGD . CLA II . 0.1620 0.8583 0.8671 -0.0262 -0.0835 0.0068 613 CLA b CGD ? ? 1 +59809 O O1D . CLA II . 0.1644 0.8564 0.8661 -0.0289 -0.0815 0.0067 613 CLA b O1D ? ? 1 +59810 O O2D . CLA II . 0.1683 0.8610 0.8661 -0.0212 -0.0862 0.0085 613 CLA b O2D ? ? 1 +59811 C CED . CLA II . 0.1751 0.8591 0.8624 -0.0193 -0.0843 0.0115 613 CLA b CED ? ? 1 +59812 C C1 . CLA II . 0.2505 0.9356 0.9321 -0.0217 -0.0962 0.0017 613 CLA b C1 ? ? 1 +59813 C C2 . CLA II . 0.2607 0.9416 0.9416 -0.0253 -0.0905 0.0033 613 CLA b C2 ? ? 1 +59814 C C3 . CLA II . 0.2852 0.9632 0.9637 -0.0284 -0.0902 0.0014 613 CLA b C3 ? ? 1 +59815 C C4 . CLA II . 0.2928 0.9713 0.9691 -0.0286 -0.0954 -0.0024 613 CLA b C4 ? ? 1 +59816 C C5 . CLA II . 0.3135 0.9871 0.9910 -0.0314 -0.0848 0.0030 613 CLA b C5 ? ? 1 +59817 C C6 . CLA II . 0.3341 1.0118 1.0197 -0.0366 -0.0838 0.0001 613 CLA b C6 ? ? 1 +59818 C C7 . CLA II . 0.3551 1.0267 1.0375 -0.0387 -0.0786 0.0021 613 CLA b C7 ? ? 1 +59819 C C8 . CLA II . 0.3808 1.0539 1.0691 -0.0438 -0.0763 0.0002 613 CLA b C8 ? ? 1 +59820 C C9 . CLA II . 0.3866 1.0663 1.0830 -0.0473 -0.0790 -0.0040 613 CLA b C9 ? ? 1 +59821 C C10 . CLA II . 0.4271 1.0954 1.1139 -0.0456 -0.0708 0.0026 613 CLA b C10 ? ? 1 +59822 C C11 . CLA II . 0.4576 1.1216 1.1389 -0.0421 -0.0681 0.0067 613 CLA b C11 ? ? 1 +59823 C C12 . CLA II . 0.5092 1.1663 1.1854 -0.0433 -0.0642 0.0080 613 CLA b C12 ? ? 1 +59824 C C13 . CLA II . 0.5698 1.2239 1.2429 -0.0407 -0.0607 0.0119 613 CLA b C13 ? ? 1 +59825 C C14 . CLA II . 0.5787 1.2304 1.2453 -0.0366 -0.0621 0.0135 613 CLA b C14 ? ? 1 +59826 C C15 . CLA II . 0.6052 1.2647 1.2861 -0.0413 -0.0590 0.0132 613 CLA b C15 ? ? 1 +59827 C C16 . CLA II . 0.6472 1.3044 1.3259 -0.0391 -0.0558 0.0167 613 CLA b C16 ? ? 1 +59828 C C17 . CLA II . 0.6847 1.3470 1.3708 -0.0397 -0.0544 0.0177 613 CLA b C17 ? ? 1 +59829 C C18 . CLA II . 0.7239 1.3840 1.4097 -0.0395 -0.0505 0.0204 613 CLA b C18 ? ? 1 +59830 C C19 . CLA II . 0.7434 1.4073 1.4337 -0.0383 -0.0496 0.0222 613 CLA b C19 ? ? 1 +59831 C C20 . CLA II . 0.7225 1.3764 1.4029 -0.0398 -0.0478 0.0212 613 CLA b C20 ? ? 1 +59832 MG MG . CLA IJ . 0.6560 1.0023 0.8861 0.1067 0.0928 -0.0181 510 CLA c MG ? ? 1 +59833 C CHA . CLA IJ . 0.6222 1.0007 0.8961 0.1099 0.1038 -0.0151 510 CLA c CHA ? ? 1 +59834 C CHB . CLA IJ . 0.6631 0.9951 0.8896 0.1074 0.0798 -0.0253 510 CLA c CHB ? ? 1 +59835 C CHC . CLA IJ . 0.6731 0.9966 0.8711 0.0998 0.0757 -0.0199 510 CLA c CHC ? ? 1 +59836 C CHD . CLA IJ . 0.6459 1.0079 0.8828 0.1025 0.1047 -0.0092 510 CLA c CHD ? ? 1 +59837 N NA . CLA IJ . 0.6448 0.9996 0.8932 0.1079 0.0911 -0.0195 510 CLA c NA ? ? 1 +59838 C C1A . CLA IJ . 0.6348 1.0012 0.8983 0.1098 0.0963 -0.0182 510 CLA c C1A ? ? 1 +59839 C C2A . CLA IJ . 0.6386 1.0042 0.9071 0.1124 0.0946 -0.0206 510 CLA c C2A ? ? 1 +59840 C C3A . CLA IJ . 0.6465 0.9979 0.9011 0.1108 0.0868 -0.0234 510 CLA c C3A ? ? 1 +59841 C C4A . CLA IJ . 0.6520 0.9977 0.8944 0.1084 0.0855 -0.0226 510 CLA c C4A ? ? 1 +59842 C CMA . CLA IJ . 0.6341 0.9889 0.8989 0.1064 0.0786 -0.0234 510 CLA c CMA ? ? 1 +59843 C CAA . CLA IJ . 0.6575 1.0214 0.9230 0.1194 0.1026 -0.0223 510 CLA c CAA ? ? 1 +59844 C CBA . CLA IJ . 0.6636 1.0257 0.9333 0.1226 0.1007 -0.0247 510 CLA c CBA ? ? 1 +59845 C CGA . CLA IJ . 0.6509 1.0285 0.9417 0.1216 0.1006 -0.0226 510 CLA c CGA ? ? 1 +59846 O O1A . CLA IJ . 0.6491 1.0389 0.9512 0.1197 0.1039 -0.0198 510 CLA c O1A ? ? 1 +59847 O O2A . CLA IJ . 0.6519 1.0295 0.9494 0.1224 0.0963 -0.0238 510 CLA c O2A ? ? 1 +59848 N NB . CLA IJ . 0.6640 0.9955 0.8801 0.1035 0.0797 -0.0218 510 CLA c NB ? ? 1 +59849 C C1B . CLA IJ . 0.6671 0.9928 0.8818 0.1045 0.0760 -0.0249 510 CLA c C1B ? ? 1 +59850 C C2B . CLA IJ . 0.6741 0.9882 0.8768 0.1019 0.0672 -0.0278 510 CLA c C2B ? ? 1 +59851 C C3B . CLA IJ . 0.6773 0.9899 0.8723 0.0998 0.0658 -0.0262 510 CLA c C3B ? ? 1 +59852 C C4B . CLA IJ . 0.6713 0.9939 0.8742 0.1013 0.0742 -0.0226 510 CLA c C4B ? ? 1 +59853 C CMB . CLA IJ . 0.6795 0.9853 0.8787 0.1017 0.0617 -0.0315 510 CLA c CMB ? ? 1 +59854 C CAB . CLA IJ . 0.6863 0.9892 0.8677 0.0971 0.0582 -0.0278 510 CLA c CAB ? ? 1 +59855 C CBB . CLA IJ . 0.6953 0.9876 0.8671 0.0967 0.0521 -0.0317 510 CLA c CBB ? ? 1 +59856 N NC . CLA IJ . 0.6571 1.0010 0.8778 0.1023 0.0905 -0.0150 510 CLA c NC ? ? 1 +59857 C C1C . CLA IJ . 0.6658 0.9994 0.8725 0.1003 0.0837 -0.0161 510 CLA c C1C ? ? 1 +59858 C C2C . CLA IJ . 0.6690 1.0016 0.8693 0.0983 0.0837 -0.0135 510 CLA c C2C ? ? 1 +59859 C C3C . CLA IJ . 0.6603 1.0037 0.8716 0.0989 0.0926 -0.0102 510 CLA c C3C ? ? 1 +59860 C C4C . CLA IJ . 0.6546 1.0041 0.8772 0.1015 0.0961 -0.0117 510 CLA c C4C ? ? 1 +59861 C CMC . CLA IJ . 0.6779 1.0008 0.8638 0.0962 0.0763 -0.0141 510 CLA c CMC ? ? 1 +59862 C CAC . CLA IJ . 0.6605 1.0071 0.8710 0.0975 0.0971 -0.0065 510 CLA c CAC ? ? 1 +59863 C CBC . CLA IJ . 0.6436 0.9994 0.8669 0.0922 0.0910 -0.0039 510 CLA c CBC ? ? 1 +59864 N ND . CLA IJ . 0.6374 1.0033 0.8879 0.1062 0.1024 -0.0134 510 CLA c ND ? ? 1 +59865 C C1D . CLA IJ . 0.6341 1.0052 0.8862 0.1041 0.1066 -0.0100 510 CLA c C1D ? ? 1 +59866 C C2D . CLA IJ . 0.6228 1.0081 0.8915 0.1051 0.1143 -0.0080 510 CLA c C2D ? ? 1 +59867 C C3D . CLA IJ . 0.6179 1.0064 0.8955 0.1075 0.1127 -0.0103 510 CLA c C3D ? ? 1 +59868 C C4D . CLA IJ . 0.6241 1.0020 0.8921 0.1071 0.1051 -0.0128 510 CLA c C4D ? ? 1 +59869 C CMD . CLA IJ . 0.6201 1.0149 0.8964 0.1040 0.1222 -0.0048 510 CLA c CMD ? ? 1 +59870 C CAD . CLA IJ . 0.6077 1.0073 0.9018 0.1099 0.1157 -0.0106 510 CLA c CAD ? ? 1 +59871 O OBD . CLA IJ . 0.6002 1.0127 0.9081 0.1103 0.1223 -0.0088 510 CLA c OBD ? ? 1 +59872 C CBD . CLA IJ . 0.6082 1.0013 0.8999 0.1117 0.1099 -0.0137 510 CLA c CBD ? ? 1 +59873 C CGD . CLA IJ . 0.5872 0.9901 0.8956 0.1085 0.1042 -0.0127 510 CLA c CGD ? ? 1 +59874 O O1D . CLA IJ . 0.5766 0.9882 0.8978 0.1108 0.1064 -0.0129 510 CLA c O1D ? ? 1 +59875 O O2D . CLA IJ . 0.5777 0.9799 0.8871 0.1027 0.0959 -0.0115 510 CLA c O2D ? ? 1 +59876 C CED . CLA IJ . 0.5594 0.9718 0.8852 0.0995 0.0913 -0.0102 510 CLA c CED ? ? 1 +59877 C C1 . CLA IJ . 0.6512 1.0372 0.9608 0.1270 0.1001 -0.0240 510 CLA c C1 ? ? 1 +59878 C C2 . CLA IJ . 0.6463 1.0469 0.9682 0.1291 0.1081 -0.0220 510 CLA c C2 ? ? 1 +59879 C C3 . CLA IJ . 0.6566 1.0593 0.9796 0.1357 0.1151 -0.0234 510 CLA c C3 ? ? 1 +59880 C C4 . CLA IJ . 0.6713 1.0613 0.9824 0.1414 0.1152 -0.0269 510 CLA c C4 ? ? 1 +59881 C C5 . CLA IJ . 0.6575 1.0755 0.9937 0.1374 0.1232 -0.0217 510 CLA c C5 ? ? 1 +59882 C C6 . CLA IJ . 0.6763 1.0905 1.0021 0.1406 0.1317 -0.0224 510 CLA c C6 ? ? 1 +59883 C C7 . CLA IJ . 0.6937 1.0924 0.9998 0.1379 0.1285 -0.0229 510 CLA c C7 ? ? 1 +59884 C C8 . CLA IJ . 0.7133 1.1068 1.0068 0.1390 0.1354 -0.0228 510 CLA c C8 ? ? 1 +59885 C C9 . CLA IJ . 0.7338 1.1226 1.0189 0.1461 0.1438 -0.0252 510 CLA c C9 ? ? 1 +59886 C C10 . CLA IJ . 0.7171 1.1079 1.0045 0.1331 0.1327 -0.0206 510 CLA c C10 ? ? 1 +59887 C C11 . CLA IJ . 0.7379 1.1139 1.0037 0.1344 0.1348 -0.0219 510 CLA c C11 ? ? 1 +59888 C C12 . CLA IJ . 0.7384 1.1163 1.0019 0.1294 0.1354 -0.0188 510 CLA c C12 ? ? 1 +59889 C C13 . CLA IJ . 0.7596 1.1210 1.0012 0.1285 0.1318 -0.0200 510 CLA c C13 ? ? 1 +59890 C C14 . CLA IJ . 0.7606 1.1125 0.9962 0.1266 0.1214 -0.0221 510 CLA c C14 ? ? 1 +59891 C C15 . CLA IJ . 0.7595 1.1226 0.9991 0.1237 0.1316 -0.0168 510 CLA c C15 ? ? 1 +59892 C C16 . CLA IJ . 0.7653 1.1347 1.0070 0.1254 0.1425 -0.0149 510 CLA c C16 ? ? 1 +59893 C C17 . CLA IJ . 0.7727 1.1373 1.0041 0.1218 0.1426 -0.0124 510 CLA c C17 ? ? 1 +59894 C C18 . CLA IJ . 0.7972 1.1454 1.0045 0.1242 0.1447 -0.0137 510 CLA c C18 ? ? 1 +59895 C C19 . CLA IJ . 0.8111 1.1437 1.0006 0.1238 0.1358 -0.0161 510 CLA c C19 ? ? 1 +59896 C C20 . CLA IJ . 0.8101 1.1582 1.0116 0.1268 0.1563 -0.0125 510 CLA c C20 ? ? 1 +59897 O O1 A LHG IK . 0.6591 1.0108 0.8763 0.0641 0.0103 -0.0048 408 LHG d O1 ? ? 1 +59898 O O1 B LHG IK . 0.6568 1.0087 0.8743 0.0640 0.0101 -0.0048 408 LHG d O1 ? ? 1 +59899 C C1 A LHG IK . 0.6462 1.0056 0.8767 0.0639 0.0172 -0.0036 408 LHG d C1 ? ? 1 +59900 C C1 B LHG IK . 0.6433 1.0028 0.8741 0.0637 0.0168 -0.0038 408 LHG d C1 ? ? 1 +59901 C C2 A LHG IK . 0.6274 1.0000 0.8759 0.0609 0.0186 0.0001 408 LHG d C2 ? ? 1 +59902 C C2 B LHG IK . 0.6245 0.9972 0.8733 0.0609 0.0186 0.0000 408 LHG d C2 ? ? 1 +59903 O O2 A LHG IK . 0.6290 1.0006 0.8720 0.0616 0.0210 0.0034 408 LHG d O2 ? ? 1 +59904 O O2 B LHG IK . 0.6251 0.9969 0.8685 0.0617 0.0216 0.0034 408 LHG d O2 ? ? 1 +59905 C C3 A LHG IK . 0.6162 0.9962 0.8773 0.0567 0.0101 -0.0009 408 LHG d C3 ? ? 1 +59906 C C3 B LHG IK . 0.6139 0.9942 0.8754 0.0567 0.0101 -0.0008 408 LHG d C3 ? ? 1 +59907 O O3 A LHG IK . 0.6271 1.0031 0.8802 0.0559 0.0024 -0.0015 408 LHG d O3 ? ? 1 +59908 O O3 B LHG IK . 0.6261 1.0021 0.8791 0.0560 0.0025 -0.0014 408 LHG d O3 ? ? 1 +59909 P P A LHG IK . 0.6229 1.0049 0.8812 0.0545 0.0015 0.0023 408 LHG d P ? ? 1 +59910 P P B LHG IK . 0.6211 1.0034 0.8797 0.0544 0.0013 0.0024 408 LHG d P ? ? 1 +59911 O O4 A LHG IK . 0.6344 1.0108 0.8824 0.0546 -0.0072 0.0007 408 LHG d O4 ? ? 1 +59912 O O4 B LHG IK . 0.6340 1.0107 0.8825 0.0544 -0.0075 0.0007 408 LHG d O4 ? ? 1 +59913 O O5 A LHG IK . 0.6257 1.0081 0.8822 0.0565 0.0111 0.0062 408 LHG d O5 ? ? 1 +59914 O O5 B LHG IK . 0.6237 1.0065 0.8808 0.0563 0.0107 0.0063 408 LHG d O5 ? ? 1 +59915 O O6 A LHG IK . 0.6111 1.0068 0.8914 0.0503 -0.0007 0.0032 408 LHG d O6 ? ? 1 +59916 O O6 B LHG IK . 0.6148 1.0108 0.8954 0.0503 -0.0007 0.0033 408 LHG d O6 ? ? 1 +59917 C C4 A LHG IK . 0.6146 1.0133 0.9011 0.0473 -0.0098 0.0004 408 LHG d C4 ? ? 1 +59918 C C4 B LHG IK . 0.6228 1.0219 0.9099 0.0472 -0.0097 0.0005 408 LHG d C4 ? ? 1 +59919 C C5 A LHG IK . 0.6055 1.0142 0.9101 0.0443 -0.0090 0.0004 408 LHG d C5 ? ? 1 +59920 C C5 B LHG IK . 0.6189 1.0281 0.9241 0.0442 -0.0088 0.0006 408 LHG d C5 ? ? 1 +59921 C C6 A LHG IK . 0.5906 1.0095 0.9087 0.0432 -0.0038 0.0046 408 LHG d C6 ? ? 1 +59922 C C6 B LHG IK . 0.6043 1.0235 0.9227 0.0432 -0.0035 0.0048 408 LHG d C6 ? ? 1 +59923 O O7 A LHG IK . 0.6219 1.0269 0.9246 0.0458 -0.0048 -0.0015 408 LHG d O7 ? ? 1 +59924 O O7 B LHG IK . 0.6418 1.0474 0.9452 0.0458 -0.0047 -0.0014 408 LHG d O7 ? ? 1 +59925 C C7 A LHG IK . 0.6486 1.0468 0.9444 0.0457 -0.0096 -0.0056 408 LHG d C7 ? ? 1 +59926 C C7 B LHG IK . 0.6824 1.0812 0.9790 0.0456 -0.0094 -0.0055 408 LHG d C7 ? ? 1 +59927 O O9 A LHG IK . 0.6504 1.0458 0.9416 0.0443 -0.0171 -0.0078 408 LHG d O9 ? ? 1 +59928 O O9 B LHG IK . 0.6807 1.0765 0.9726 0.0442 -0.0169 -0.0077 408 LHG d O9 ? ? 1 +59929 C C8 A LHG IK . 0.6673 1.0620 0.9621 0.0474 -0.0049 -0.0073 408 LHG d C8 ? ? 1 +59930 C C8 B LHG IK . 0.7147 1.1102 1.0106 0.0473 -0.0048 -0.0072 408 LHG d C8 ? ? 1 +59931 C C9 A LHG IK . 0.6915 1.0789 0.9800 0.0465 -0.0106 -0.0119 408 LHG d C9 ? ? 1 +59932 C C9 B LHG IK . 0.7558 1.1433 1.0443 0.0466 -0.0103 -0.0118 408 LHG d C9 ? ? 1 +59933 C C10 A LHG IK . 0.7137 1.0978 1.0022 0.0482 -0.0061 -0.0136 408 LHG d C10 ? ? 1 +59934 C C10 B LHG IK . 0.7999 1.1836 1.0877 0.0484 -0.0059 -0.0135 408 LHG d C10 ? ? 1 +59935 O O8 A LHG IK . 0.5731 1.0013 0.9078 0.0401 -0.0052 0.0042 408 LHG d O8 ? ? 1 +59936 O O8 B LHG IK . 0.5862 1.0149 0.9215 0.0400 -0.0052 0.0045 408 LHG d O8 ? ? 1 +59937 C C23 A LHG IK . 0.5618 0.9998 0.9098 0.0383 -0.0030 0.0074 408 LHG d C23 ? ? 1 +59938 C C23 B LHG IK . 0.5779 1.0164 0.9264 0.0383 -0.0028 0.0077 408 LHG d C23 ? ? 1 +59939 O O10 A LHG IK . 0.5589 0.9982 0.9058 0.0391 0.0004 0.0105 408 LHG d O10 ? ? 1 +59940 O O10 B LHG IK . 0.5726 1.0123 0.9199 0.0392 0.0011 0.0108 408 LHG d O10 ? ? 1 +59941 C C24 A LHG IK . 0.5517 0.9981 0.9153 0.0351 -0.0055 0.0067 408 LHG d C24 ? ? 1 +59942 C C24 B LHG IK . 0.5720 1.0190 0.9362 0.0350 -0.0055 0.0070 408 LHG d C24 ? ? 1 +59943 C C11 A LHG IK . 0.7505 1.1227 1.0254 0.0491 -0.0095 -0.0181 408 LHG d C11 ? ? 1 +59944 C C11 B LHG IK . 0.8587 1.2309 1.1335 0.0490 -0.0100 -0.0182 408 LHG d C11 ? ? 1 +59945 C C12 A LHG IK . 0.7663 1.1379 1.0474 0.0475 -0.0106 -0.0207 408 LHG d C12 ? ? 1 +59946 C C12 B LHG IK . 0.8971 1.2687 1.1780 0.0473 -0.0112 -0.0207 408 LHG d C12 ? ? 1 +59947 C C13 A LHG IK . 0.7752 1.1564 1.0723 0.0426 -0.0154 -0.0203 408 LHG d C13 ? ? 1 +59948 C C13 B LHG IK . 0.9363 1.3175 1.2334 0.0424 -0.0158 -0.0204 408 LHG d C13 ? ? 1 +59949 C C14 A LHG IK . 0.7971 1.1752 1.0973 0.0404 -0.0180 -0.0235 408 LHG d C14 ? ? 1 +59950 C C14 B LHG IK . 0.9879 1.3657 1.2877 0.0403 -0.0185 -0.0236 408 LHG d C14 ? ? 1 +59951 C C15 A LHG IK . 0.8000 1.1880 1.1172 0.0360 -0.0207 -0.0225 408 LHG d C15 ? ? 1 +59952 C C15 B LHG IK . 1.0171 1.4046 1.3336 0.0357 -0.0215 -0.0228 408 LHG d C15 ? ? 1 +59953 C C16 A LHG IK . 0.8197 1.2031 1.1382 0.0337 -0.0233 -0.0258 408 LHG d C16 ? ? 1 +59954 C C16 B LHG IK . 1.0615 1.4444 1.3794 0.0336 -0.0235 -0.0260 408 LHG d C16 ? ? 1 +59955 C C17 A LHG IK . 0.8195 1.2118 1.1542 0.0299 -0.0244 -0.0245 408 LHG d C17 ? ? 1 +59956 C C17 B LHG IK . 1.0841 1.4760 1.4183 0.0300 -0.0242 -0.0246 408 LHG d C17 ? ? 1 +59957 C C18 A LHG IK . 0.8384 1.2243 1.1727 0.0283 -0.0255 -0.0275 408 LHG d C18 ? ? 1 +59958 C C18 B LHG IK . 1.1255 1.5113 1.4597 0.0285 -0.0251 -0.0274 408 LHG d C18 ? ? 1 +59959 C C19 A LHG IK . 0.8390 1.2325 1.1880 0.0240 -0.0274 -0.0267 408 LHG d C19 ? ? 1 +59960 C C19 B LHG IK . 1.1473 1.5410 1.4964 0.0244 -0.0268 -0.0265 408 LHG d C19 ? ? 1 +59961 C C20 A LHG IK . 0.8564 1.2424 1.2039 0.0224 -0.0282 -0.0295 408 LHG d C20 ? ? 1 +59962 C C20 B LHG IK . 1.1836 1.5699 1.5314 0.0226 -0.0278 -0.0293 408 LHG d C20 ? ? 1 +59963 C C21 A LHG IK . 0.8479 1.2407 1.2093 0.0192 -0.0282 -0.0281 408 LHG d C21 ? ? 1 +59964 C C21 B LHG IK . 1.1811 1.5743 1.5430 0.0193 -0.0279 -0.0279 408 LHG d C21 ? ? 1 +59965 C C22 A LHG IK . 0.8392 1.2394 1.2098 0.0134 -0.0340 -0.0283 408 LHG d C22 ? ? 1 +59966 C C22 B LHG IK . 1.1737 1.5734 1.5440 0.0134 -0.0340 -0.0285 408 LHG d C22 ? ? 1 +59967 C C25 A LHG IK . 0.5485 1.0021 0.9235 0.0353 0.0014 0.0088 408 LHG d C25 ? ? 1 +59968 C C25 B LHG IK . 0.5748 1.0284 0.9498 0.0353 0.0012 0.0087 408 LHG d C25 ? ? 1 +59969 C C26 A LHG IK . 0.5405 1.0018 0.9302 0.0323 -0.0012 0.0081 408 LHG d C26 ? ? 1 +59970 C C26 B LHG IK . 0.5715 1.0331 0.9615 0.0322 -0.0016 0.0081 408 LHG d C26 ? ? 1 +59971 C C27 A LHG IK . 0.5526 1.0088 0.9391 0.0316 -0.0057 0.0043 408 LHG d C27 ? ? 1 +59972 C C27 B LHG IK . 0.5885 1.0453 0.9760 0.0314 -0.0059 0.0043 408 LHG d C27 ? ? 1 +59973 C C28 A LHG IK . 0.5641 1.0173 0.9495 0.0339 -0.0009 0.0031 408 LHG d C28 ? ? 1 +59974 C C28 B LHG IK . 0.6069 1.0601 0.9922 0.0339 -0.0010 0.0031 408 LHG d C28 ? ? 1 +59975 C C29 A LHG IK . 0.5835 1.0277 0.9602 0.0341 -0.0046 -0.0009 408 LHG d C29 ? ? 1 +59976 C C29 B LHG IK . 0.6346 1.0790 1.0114 0.0340 -0.0049 -0.0009 408 LHG d C29 ? ? 1 +59977 C C30 A LHG IK . 0.6113 1.0459 0.9743 0.0382 -0.0004 -0.0023 408 LHG d C30 ? ? 1 +59978 C C30 B LHG IK . 0.6754 1.1097 1.0376 0.0380 -0.0011 -0.0024 408 LHG d C30 ? ? 1 +59979 C C31 A LHG IK . 0.6375 1.0613 0.9861 0.0385 -0.0054 -0.0059 408 LHG d C31 ? ? 1 +59980 C C31 B LHG IK . 0.7118 1.1356 1.0610 0.0379 -0.0066 -0.0063 408 LHG d C31 ? ? 1 +59981 C C32 A LHG IK . 0.6535 1.0714 0.9998 0.0382 -0.0073 -0.0094 408 LHG d C32 ? ? 1 +59982 C C32 B LHG IK . 0.7385 1.1578 1.0876 0.0373 -0.0081 -0.0095 408 LHG d C32 ? ? 1 +59983 C C33 A LHG IK . 0.6649 1.0819 1.0124 0.0414 -0.0005 -0.0091 408 LHG d C33 ? ? 1 +59984 C C33 B LHG IK . 0.7637 1.1812 1.1124 0.0409 -0.0011 -0.0093 408 LHG d C33 ? ? 1 +59985 C C34 A LHG IK . 0.6787 1.0901 1.0251 0.0410 -0.0023 -0.0123 408 LHG d C34 ? ? 1 +59986 C C34 B LHG IK . 0.7914 1.2012 1.1359 0.0411 -0.0026 -0.0128 408 LHG d C34 ? ? 1 +59987 C C35 A LHG IK . 0.6990 1.1026 1.0363 0.0457 0.0032 -0.0136 408 LHG d C35 ? ? 1 +59988 C C35 B LHG IK . 0.8170 1.2213 1.1550 0.0460 0.0040 -0.0133 408 LHG d C35 ? ? 1 +59989 C C36 A LHG IK . 0.7206 1.1172 1.0434 0.0491 0.0060 -0.0138 408 LHG d C36 ? ? 1 +59990 C C36 B LHG IK . 0.8498 1.2463 1.1727 0.0497 0.0071 -0.0138 408 LHG d C36 ? ? 1 +59991 C C37 A LHG IK . 0.7379 1.1225 1.0453 0.0490 0.0010 -0.0176 408 LHG d C37 ? ? 1 +59992 C C37 B LHG IK . 0.8684 1.2532 1.1762 0.0494 0.0018 -0.0174 408 LHG d C37 ? ? 1 +59993 C C38 A LHG IK . 0.7561 1.1318 1.0475 0.0534 0.0049 -0.0181 408 LHG d C38 ? ? 1 +59994 C C38 B LHG IK . 0.8880 1.2634 1.1795 0.0539 0.0060 -0.0182 408 LHG d C38 ? ? 1 +59995 C C1 A GOL IL . 0.9585 1.2315 1.3301 0.0597 -0.0001 0.0070 202 GOL v C1 ? ? 1 +59996 C C1 B GOL IL . 0.7001 0.9746 1.0729 0.0588 -0.0002 0.0069 202 GOL v C1 ? ? 1 +59997 O O1 A GOL IL . 0.9388 1.2178 1.3170 0.0544 -0.0008 0.0091 202 GOL v O1 ? ? 1 +59998 O O1 B GOL IL . 0.6846 0.9675 1.0655 0.0546 -0.0011 0.0092 202 GOL v O1 ? ? 1 +59999 C C2 A GOL IL . 0.9542 1.2448 1.3369 0.0635 -0.0006 0.0064 202 GOL v C2 ? ? 1 +60000 C C2 B GOL IL . 0.6954 0.9854 1.0775 0.0631 -0.0005 0.0060 202 GOL v C2 ? ? 1 +60001 O O2 A GOL IL . 0.9644 1.2486 1.3399 0.0710 0.0003 0.0048 202 GOL v O2 ? ? 1 +60002 O O2 B GOL IL . 0.7077 0.9885 1.0808 0.0696 0.0006 0.0041 202 GOL v O2 ? ? 1 +60003 C C3 A GOL IL . 0.9530 1.2544 1.3442 0.0558 -0.0009 0.0052 202 GOL v C3 ? ? 1 +60004 C C3 B GOL IL . 0.6885 0.9900 1.0795 0.0556 -0.0008 0.0048 202 GOL v C3 ? ? 1 +60005 O O3 A GOL IL . 0.9466 1.2620 1.3460 0.0598 -0.0009 0.0045 202 GOL v O3 ? ? 1 +60006 O O3 B GOL IL . 0.6800 0.9967 1.0801 0.0598 -0.0009 0.0044 202 GOL v O3 ? ? 1 +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +AN 1 28 PL9 414 1 PL9 PL9 A . +AO 1 29 SQD 620 1 SQD SQD B . +AP 1 30 BCR 515 1 BCR BCR C . +AQ 1 31 CA 104 1 CA CA F . +AR 1 32 PHO 406 1 PHO PHO a . +AS 1 33 CLA 614 1 CLA CLA b . +AT 1 33 CLA 511 2 CLA CLA c . +AU 1 34 LMG 621 1 LMG LMG B . +AV 1 30 BCR 516 2 BCR BCR C . +AW 1 30 BCR 101 3 BCR BCR H . +AX 1 33 CLA 407 3 CLA CLA a . +AY 1 33 CLA 615 4 CLA CLA b . +AZ 1 33 CLA 512 5 CLA CLA c . +BA 1 30 BCR 101 4 BCR BCR y . +BB 1 32 PHO 416 2 PHO PHO A . +BC 1 35 HTG 622 1 HTG HTG B . +BD 1 36 DGD 517 1 DGD DGD C . +BE 1 36 DGD 102 2 DGD DGD H . +BF 1 30 BCR 408 5 BCR BCR a . +BG 1 33 CLA 616 6 CLA CLA b . +BH 1 33 CLA 513 7 CLA CLA c . +BI 1 35 HTG 411 2 HTG HTG d . +BJ 1 34 LMG 101 2 LMG LMG Z . +BK 1 37 LMT 417 1 LMT LMT A . +BL 1 35 HTG 623 3 HTG HTG B . +BM 1 36 DGD 518 3 DGD DGD C . +BN 1 29 SQD 409 2 SQD SQD a . +BO 1 30 BCR 617 6 BCR BCR b . +BP 1 33 CLA 514 8 CLA CLA c . +BQ 1 34 LMG 412 3 LMG LMG d . +BR 1 34 LMG 101 4 LMG LMG z . +BS 1 38 GOL 418 1 GOL GOL A . +BT 1 38 GOL 624 2 GOL GOL B . +BU 1 36 DGD 519 4 DGD DGD C . +BV 1 29 SQD 410 3 SQD SQD a . +BW 1 30 BCR 618 7 BCR BCR b . +BX 1 30 BCR 515 8 BCR BCR c . +BY 1 38 GOL 413 3 GOL GOL d . +BZ 1 39 LHG 419 1 LHG LHG A . +CA 1 35 HTG 625 4 HTG HTG B . +CB 1 34 LMG 520 5 LMG LMG C . +CC 1 40 MG 102 1 MG MG J . +CD 1 41 OEX 411 1 OEX OEX a . +CE 1 30 BCR 619 9 BCR BCR b . +CF 1 30 BCR 516 10 BCR BCR c . +CG 1 39 LHG 414 2 LHG LHG d . +CH 1 37 LMT 420 2 LMT LMT A . +CI 1 34 LMG 521 6 LMG LMG C . +CJ 1 28 PL9 412 2 PL9 PL9 a . +CK 1 29 SQD 620 4 SQD SQD b . +CL 1 36 DGD 517 5 DGD DGD c . +CM 1 37 LMT 101 3 LMT LMT e . +CN 1 33 CLA 601 9 CLA CLA B . +CO 1 38 GOL 627 4 GOL GOL B . +CP 1 35 HTG 522 5 HTG HTG C . +CQ 1 30 BCR 102 11 BCR BCR K . +CR 1 37 LMT 621 4 LMT LMT b . +CS 1 36 DGD 518 6 DGD DGD c . +CT 1 42 HEM 101 1 HEM HEM f . +CU 1 33 CLA 602 10 CLA CLA B . +CV 1 37 LMT 628 5 LMT LMT B . +CW 1 38 GOL 523 5 GOL GOL C . +CX 1 39 LHG 101 3 LHG LHG L . +CY 1 32 PHO 414 3 PHO PHO a . +CZ 1 35 HTG 622 6 HTG HTG b . +DA 1 36 DGD 519 7 DGD DGD c . +DB 1 29 SQD 102 5 SQD SQD f . +DC 1 33 CLA 603 11 CLA CLA B . +DD 1 38 GOL 629 6 GOL GOL B . +DE 1 31 CA 524 2 CA CA C . +DF 1 37 LMT 101 6 LMT LMT M . +DG 1 34 LMG 415 7 LMG LMG a . +DH 1 35 HTG 623 7 HTG HTG b . +DI 1 34 LMG 520 8 LMG LMG c . +DJ 1 31 CA 103 3 CA CA f . +DK 1 33 CLA 604 12 CLA CLA B . +DL 1 37 LMT 630 7 LMT LMT B . +DM 1 43 BCT 401 1 BCT BCT D . +DN 1 38 GOL 416 7 GOL GOL a . +DO 1 38 GOL 624 8 GOL GOL b . +DP 1 34 LMG 521 9 LMG LMG c . +DQ 1 30 BCR 101 12 BCR BCR h . +DR 1 33 CLA 605 13 CLA CLA B . +DS 1 37 LMT 631 8 LMT LMT B . +DT 1 33 CLA 402 14 CLA CLA D . +DU 1 31 CA 301 4 CA CA O . +DV 1 38 GOL 417 9 GOL GOL a . +DW 1 35 HTG 625 8 HTG HTG b . +DX 1 35 HTG 522 9 HTG HTG c . +DY 1 36 DGD 102 8 DGD DGD h . +DZ 1 33 CLA 606 15 CLA CLA B . +EA 1 34 LMG 501 10 LMG LMG C . +EB 1 33 CLA 403 16 CLA CLA D . +EC 1 38 GOL 302 10 GOL GOL O . +ED 1 39 LHG 418 4 LHG LHG a . +EE 1 31 CA 523 5 CA CA c . +EF 1 44 FE2 401 1 FE2 FE2 A . +EG 1 33 CLA 607 17 CLA CLA B . +EH 1 33 CLA 502 18 CLA CLA C . +EI 1 30 BCR 404 13 BCR BCR D . +EJ 1 38 GOL 303 11 GOL GOL O . +EK 1 33 CLA 601 19 CLA CLA b . +EL 1 37 LMT 627 9 LMT LMT b . +EM 1 31 CA 524 6 CA CA c . +EN 1 45 CL 402 1 CL CL A . +EO 1 33 CLA 608 20 CLA CLA B . +EP 1 33 CLA 503 21 CLA CLA C . +EQ 1 28 PL9 405 3 PL9 PL9 D . +ER 1 37 LMT 101 10 LMT LMT T . +ES 1 33 CLA 602 22 CLA CLA b . +ET 1 38 GOL 628 12 GOL GOL b . +EU 1 40 MG 102 2 MG MG j . +EV 1 45 CL 403 2 CL CL A . +EW 1 33 CLA 609 23 CLA CLA B . +EX 1 33 CLA 504 24 CLA CLA C . +EY 1 39 LHG 406 5 LHG LHG D . +EZ 1 30 BCR 102 14 BCR BCR T . +FA 1 33 CLA 603 25 CLA CLA b . +FB 1 39 LHG 629 6 LHG LHG b . +FC 1 38 GOL 526 13 GOL GOL c . +FD 1 30 BCR 101 15 BCR BCR k . +FE 1 33 CLA 404 26 CLA CLA A . +FF 1 33 CLA 610 27 CLA CLA B . +FG 1 33 CLA 505 28 CLA CLA C . +FH 1 39 LHG 407 7 LHG LHG D . +FI 1 46 HEC 201 1 HEC HEC V . +FJ 1 33 CLA 604 29 CLA CLA b . +FK 1 37 LMT 501 11 LMT LMT c . +FL 1 38 GOL 527 14 GOL GOL c . +FM 1 38 GOL 801 15 GOL GOL l . +FN 1 33 CLA 405 30 CLA CLA A . +FO 1 33 CLA 611 31 CLA CLA B . +FP 1 33 CLA 506 32 CLA CLA C . +FQ 1 35 HTG 202 10 HTG HTG V . +FR 1 33 CLA 605 33 CLA CLA b . +FS 1 33 CLA 502 34 CLA CLA c . +FT 1 38 GOL 528 16 GOL GOL c . +FU 1 34 LMG 101 11 LMG LMG m . +FV 1 33 CLA 406 35 CLA CLA A . +FW 1 33 CLA 612 36 CLA CLA B . +FX 1 33 CLA 507 37 CLA CLA C . +FY 1 38 GOL 203 17 GOL GOL V . +FZ 1 33 CLA 606 38 CLA CLA b . +GA 1 33 CLA 503 39 CLA CLA c . +GB 1 43 BCT 401 2 BCT BCT d . +GC 1 32 PHO 407 4 PHO PHO A . +GD 1 33 CLA 613 40 CLA CLA B . +GE 1 33 CLA 508 41 CLA CLA C . +GF 1 35 HTG 410 11 HTG HTG D . +GG 1 33 CLA 607 42 CLA CLA b . +GH 1 33 CLA 504 43 CLA CLA c . +GI 1 33 CLA 402 44 CLA CLA d . +GJ 1 37 LMT 103 12 LMT LMT m . +GK 1 33 CLA 408 45 CLA CLA A . +GL 1 33 CLA 614 46 CLA CLA B . +GM 1 33 CLA 509 47 CLA CLA C . +GN 1 34 LMG 411 12 LMG LMG D . +GO 1 30 BCR 101 16 BCR BCR Y . +GP 1 33 CLA 608 48 CLA CLA b . +GQ 1 33 CLA 505 49 CLA CLA c . +GR 1 33 CLA 403 50 CLA CLA d . +GS 1 31 CA 301 7 CA CA o . +GT 1 30 BCR 409 17 BCR BCR A . +GU 1 33 CLA 615 51 CLA CLA B . +GV 1 33 CLA 510 52 CLA CLA C . +GW 1 38 GOL 412 18 GOL GOL D . +GX 1 44 FE2 401 2 FE2 FE2 a . +GY 1 33 CLA 609 53 CLA CLA b . +GZ 1 33 CLA 506 54 CLA CLA c . +HA 1 33 CLA 404 55 CLA CLA d . +HB 1 38 GOL 302 19 GOL GOL o . +HC 1 29 SQD 410 6 SQD SQD A . +HD 1 33 CLA 616 56 CLA CLA B . +HE 1 33 CLA 511 57 CLA CLA C . +HF 1 39 LHG 101 8 LHG LHG E . +HG 1 45 CL 402 3 CL CL a . +HH 1 33 CLA 610 58 CLA CLA b . +HI 1 33 CLA 507 59 CLA CLA c . +HJ 1 30 BCR 405 18 BCR BCR d . +HK 1 37 LMT 101 13 LMT LMT t . +HL 1 38 GOL 411 20 GOL GOL A . +HM 1 30 BCR 617 19 BCR BCR B . +HN 1 33 CLA 512 60 CLA CLA C . +HO 1 37 LMT 101 14 LMT LMT F . +HP 1 45 CL 403 4 CL CL a . +HQ 1 33 CLA 611 61 CLA CLA b . +HR 1 33 CLA 508 62 CLA CLA c . +HS 1 28 PL9 406 4 PL9 PL9 d . +HT 1 30 BCR 102 20 BCR BCR t . +HU 1 29 SQD 412 7 SQD SQD A . +HV 1 30 BCR 618 21 BCR BCR B . +HW 1 33 CLA 513 63 CLA CLA C . +HX 1 42 HEM 102 2 HEM HEM F . +HY 1 33 CLA 404 64 CLA CLA a . +HZ 1 33 CLA 612 65 CLA CLA b . +IA 1 33 CLA 509 66 CLA CLA c . +IB 1 39 LHG 407 9 LHG LHG d . +IC 1 46 HEC 201 2 HEC HEC v . +ID 1 41 OEX 413 2 OEX OEX A . +IE 1 30 BCR 619 22 BCR BCR B . +IF 1 33 CLA 514 67 CLA CLA C . +IG 1 29 SQD 103 8 SQD SQD F . +IH 1 33 CLA 405 68 CLA CLA a . +II 1 33 CLA 613 69 CLA CLA b . +IJ 1 33 CLA 510 70 CLA CLA c . +IK 1 39 LHG 408 10 LHG LHG d . +IL 1 38 GOL 202 21 GOL GOL v . +IM 1 47 HOH 544 1 HOH HOH A . +IM 2 47 HOH 548 2 HOH HOH A . +IM 3 47 HOH 584 3 HOH HOH A . +IM 4 47 HOH 626 4 HOH HOH A . +IN 1 47 HOH 201 5 HOH HOH k . +IO 1 47 HOH 710 6 HOH HOH B . +IO 2 47 HOH 727 7 HOH HOH B . +IO 3 47 HOH 738 8 HOH HOH B . +IO 4 47 HOH 747 9 HOH HOH B . +IO 5 47 HOH 810 10 HOH HOH B . +IP 1 47 HOH 629 11 HOH HOH C . +IP 2 47 HOH 703 12 HOH HOH C . +IP 3 47 HOH 748 13 HOH HOH C . +IP 4 47 HOH 750 14 HOH HOH C . +IP 5 47 HOH 762 15 HOH HOH C . +IQ 1 47 HOH 208 16 HOH HOH m . +IR 1 47 HOH 401 17 HOH HOH o . +IS 1 47 HOH 313 18 HOH HOH v . +IT 1 47 HOH 201 19 HOH HOH K . +IU 1 47 HOH 205 20 HOH HOH M . +IU 2 47 HOH 207 21 HOH HOH M . +IV 1 47 HOH 417 22 HOH HOH O . +IW 1 47 HOH 305 23 HOH HOH V . +IW 2 47 HOH 342 24 HOH HOH V . +IW 3 47 HOH 372 25 HOH HOH V . +IX 1 47 HOH 539 26 HOH HOH a . +IX 2 47 HOH 562 27 HOH HOH a . +IX 3 47 HOH 568 28 HOH HOH a . +IX 4 47 HOH 608 29 HOH HOH a . +IY 1 47 HOH 706 30 HOH HOH b . +IY 2 47 HOH 758 31 HOH HOH b . +IY 3 47 HOH 774 32 HOH HOH b . +IY 4 47 HOH 841 33 HOH HOH b . +IY 5 47 HOH 869 34 HOH HOH b . +IY 6 47 HOH 889 35 HOH HOH b . +IZ 1 47 HOH 609 36 HOH HOH c . +IZ 2 47 HOH 626 37 HOH HOH c . +IZ 3 47 HOH 729 38 HOH HOH c . +IZ 4 47 HOH 730 39 HOH HOH c . +IZ 5 47 HOH 732 40 HOH HOH c . +IZ 6 47 HOH 752 41 HOH HOH c . +# +loop_ +_atom_site.id +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_tls_group_id +_atom_site.pdbx_auth_alt_id +1 ATOM N N . ALA A 1 1 ? 68.249 -45.861 -17.493 1.00 106.74 ? 11 ALA A N 1 ? ? +2 ATOM C CA . ALA A 1 1 ? 66.985 -45.197 -17.814 1.00 105.70 ? 11 ALA A CA 1 ? ? +3 ATOM C CB . ALA A 1 1 ? 66.200 -44.903 -16.536 1.00 105.16 ? 11 ALA A CB 1 ? ? +4 ATOM C C . ALA A 1 1 ? 67.229 -43.916 -18.615 1.00 104.70 ? 11 ALA A C 1 ? ? +5 ATOM O O . ALA A 1 1 ? 66.991 -42.811 -18.125 1.00 105.13 ? 11 ALA A O 1 ? ? +6 ATOM N N . ASN A 1 2 ? 67.703 -44.087 -19.860 1.00 101.54 ? 12 ASN A N 1 ? ? +7 ATOM C CA . ASN A 1 2 ? 67.903 -42.985 -20.795 1.00 97.99 ? 12 ASN A CA 1 ? ? +8 ATOM C CB . ASN A 1 2 ? 68.717 -43.454 -22.000 1.00 99.98 ? 12 ASN A CB 1 ? ? +9 ATOM C CG . ASN A 1 2 ? 67.899 -44.268 -22.964 1.00 101.81 ? 12 ASN A CG 1 ? ? +10 ATOM O OD1 . ASN A 1 2 ? 67.311 -45.292 -22.605 1.00 103.69 ? 12 ASN A OD1 1 ? ? +11 ATOM N ND2 . ASN A 1 2 ? 67.816 -43.818 -24.204 1.00 102.97 ? 12 ASN A ND2 1 ? ? +12 ATOM C C . ASN A 1 2 ? 66.577 -42.387 -21.271 1.00 93.13 ? 12 ASN A C 1 ? ? +13 ATOM O O . ASN A 1 2 ? 65.512 -42.941 -21.027 1.00 89.42 ? 12 ASN A O 1 ? ? +14 ATOM N N . LEU A 1 3 ? 66.661 -41.257 -21.979 1.00 89.02 ? 13 LEU A N 1 ? ? +15 ATOM C CA . LEU A 1 3 ? 65.508 -40.426 -22.276 1.00 84.80 ? 13 LEU A CA 1 ? ? +16 ATOM C CB . LEU A 1 3 ? 66.038 -39.097 -22.821 1.00 85.79 ? 13 LEU A CB 1 ? ? +17 ATOM C CG . LEU A 1 3 ? 65.013 -38.066 -23.213 1.00 87.91 ? 13 LEU A CG 1 ? ? +18 ATOM C CD1 . LEU A 1 3 ? 64.157 -37.614 -22.006 1.00 88.91 ? 13 LEU A CD1 1 ? ? +19 ATOM C CD2 . LEU A 1 3 ? 65.680 -36.873 -23.839 1.00 88.86 ? 13 LEU A CD2 1 ? ? +20 ATOM C C . LEU A 1 3 ? 64.500 -41.061 -23.239 1.00 81.24 ? 13 LEU A C 1 ? ? +21 ATOM O O . LEU A 1 3 ? 63.290 -40.944 -23.045 1.00 78.67 ? 13 LEU A O 1 ? ? +22 ATOM N N . TRP A 1 4 ? 64.989 -41.722 -24.290 1.00 78.38 ? 14 TRP A N 1 ? ? +23 ATOM C CA . TRP A 1 4 ? 64.111 -42.432 -25.209 1.00 75.09 ? 14 TRP A CA 1 ? ? +24 ATOM C CB . TRP A 1 4 ? 64.912 -43.104 -26.335 1.00 73.78 ? 14 TRP A CB 1 ? ? +25 ATOM C CG . TRP A 1 4 ? 64.089 -43.859 -27.331 1.00 71.73 ? 14 TRP A CG 1 ? ? +26 ATOM C CD1 . TRP A 1 4 ? 64.141 -45.193 -27.603 1.00 71.23 ? 14 TRP A CD1 1 ? ? +27 ATOM N NE1 . TRP A 1 4 ? 63.239 -45.511 -28.576 1.00 69.97 ? 14 TRP A NE1 1 ? ? +28 ATOM C CE2 . TRP A 1 4 ? 62.582 -44.375 -28.958 1.00 69.59 ? 14 TRP A CE2 1 ? ? +29 ATOM C CZ2 . TRP A 1 4 ? 61.569 -44.187 -29.896 1.00 68.94 ? 14 TRP A CZ2 1 ? ? +30 ATOM C CH2 . TRP A 1 4 ? 61.066 -42.917 -30.042 1.00 68.31 ? 14 TRP A CH2 1 ? ? +31 ATOM C CZ3 . TRP A 1 4 ? 61.542 -41.852 -29.282 1.00 68.46 ? 14 TRP A CZ3 1 ? ? +32 ATOM C CE3 . TRP A 1 4 ? 62.547 -42.035 -28.356 1.00 69.68 ? 14 TRP A CE3 1 ? ? +33 ATOM C CD2 . TRP A 1 4 ? 63.085 -43.318 -28.180 1.00 70.33 ? 14 TRP A CD2 1 ? ? +34 ATOM C C . TRP A 1 4 ? 63.274 -43.461 -24.448 1.00 74.89 ? 14 TRP A C 1 ? ? +35 ATOM O O . TRP A 1 4 ? 62.068 -43.528 -24.634 1.00 73.25 ? 14 TRP A O 1 ? ? +36 ATOM N N . GLU A 1 5 ? 63.917 -44.251 -23.579 1.00 76.05 ? 15 GLU A N 1 ? ? +37 ATOM C CA . GLU A 1 5 ? 63.234 -45.329 -22.886 1.00 76.44 ? 15 GLU A CA 1 ? ? +38 ATOM C CB . GLU A 1 5 ? 64.253 -46.254 -22.169 1.00 79.39 ? 15 GLU A CB 1 ? ? +39 ATOM C CG . GLU A 1 5 ? 63.632 -47.529 -21.574 1.00 81.86 ? 15 GLU A CG 1 ? ? +40 ATOM C CD . GLU A 1 5 ? 62.334 -48.042 -22.223 1.00 84.46 ? 15 GLU A CD 1 ? ? +41 ATOM O OE2 . GLU A 1 5 ? 61.275 -48.048 -21.546 1.00 83.97 ? 15 GLU A OE2 1 ? ? +42 ATOM O OE1 . GLU A 1 5 ? 62.369 -48.425 -23.416 1.00 86.66 ? 15 GLU A OE1 1 ? ? +43 ATOM C C . GLU A 1 5 ? 62.177 -44.788 -21.924 1.00 74.05 ? 15 GLU A C 1 ? ? +44 ATOM O O . GLU A 1 5 ? 61.140 -45.416 -21.739 1.00 72.54 ? 15 GLU A O 1 ? ? +45 ATOM N N . ARG A 1 6 ? 62.439 -43.625 -21.321 1.00 73.11 ? 16 ARG A N 1 ? ? +46 ATOM C CA . ARG A 1 6 ? 61.473 -42.973 -20.451 1.00 72.36 ? 16 ARG A CA 1 ? ? +47 ATOM C CB . ARG A 1 6 ? 62.100 -41.783 -19.710 1.00 75.14 ? 16 ARG A CB 1 ? ? +48 ATOM C CG . ARG A 1 6 ? 63.131 -42.162 -18.639 1.00 79.53 ? 16 ARG A CG 1 ? ? +49 ATOM C CD . ARG A 1 6 ? 63.758 -40.922 -17.983 1.00 82.71 ? 16 ARG A CD 1 ? ? +50 ATOM N NE . ARG A 1 6 ? 62.744 -40.068 -17.363 1.00 84.41 ? 16 ARG A NE 1 ? ? +51 ATOM C CZ . ARG A 1 6 ? 62.930 -38.804 -16.990 1.00 86.64 ? 16 ARG A CZ 1 ? ? +52 ATOM N NH1 . ARG A 1 6 ? 64.144 -38.292 -16.841 1.00 87.95 ? 16 ARG A NH1 1 ? ? +53 ATOM N NH2 . ARG A 1 6 ? 61.867 -38.039 -16.744 1.00 87.02 ? 16 ARG A NH2 1 ? ? +54 ATOM C C . ARG A 1 6 ? 60.263 -42.486 -21.248 1.00 68.84 ? 16 ARG A C 1 ? ? +55 ATOM O O . ARG A 1 6 ? 59.128 -42.601 -20.796 1.00 66.71 ? 16 ARG A O 1 ? ? +56 ATOM N N . PHE A 1 7 ? 60.532 -41.922 -22.427 1.00 66.90 ? 17 PHE A N 1 ? ? +57 ATOM C CA . PHE A 1 7 ? 59.492 -41.453 -23.320 1.00 64.87 ? 17 PHE A CA 1 ? ? +58 ATOM C CB . PHE A 1 7 ? 60.115 -40.731 -24.537 1.00 65.12 ? 17 PHE A CB 1 ? ? +59 ATOM C CG . PHE A 1 7 ? 59.095 -40.172 -25.498 1.00 64.38 ? 17 PHE A CG 1 ? ? +60 ATOM C CD1 . PHE A 1 7 ? 58.319 -39.098 -25.145 1.00 63.88 ? 17 PHE A CD1 1 ? ? +61 ATOM C CD2 . PHE A 1 7 ? 58.903 -40.748 -26.745 1.00 64.20 ? 17 PHE A CD2 1 ? ? +62 ATOM C CE1 . PHE A 1 7 ? 57.366 -38.603 -26.019 1.00 63.47 ? 17 PHE A CE1 1 ? ? +63 ATOM C CE2 . PHE A 1 7 ? 57.965 -40.252 -27.612 1.00 63.48 ? 17 PHE A CE2 1 ? ? +64 ATOM C CZ . PHE A 1 7 ? 57.197 -39.183 -27.250 1.00 63.28 ? 17 PHE A CZ 1 ? ? +65 ATOM C C . PHE A 1 7 ? 58.612 -42.618 -23.770 1.00 63.32 ? 17 PHE A C 1 ? ? +66 ATOM O O . PHE A 1 7 ? 57.387 -42.494 -23.803 1.00 62.14 ? 17 PHE A O 1 ? ? +67 ATOM N N . CYS A 1 8 ? 59.258 -43.732 -24.135 1.00 62.77 ? 18 CYS A N 1 ? ? +68 ATOM C CA . CYS A 1 8 ? 58.572 -44.923 -24.600 1.00 61.94 ? 18 CYS A CA 1 ? ? +69 ATOM C CB . CYS A 1 8 ? 59.563 -45.975 -25.092 1.00 62.58 ? 18 CYS A CB 1 ? ? +70 ATOM S SG . CYS A 1 8 ? 60.302 -45.615 -26.712 1.00 62.46 ? 18 CYS A SG 1 ? ? +71 ATOM C C . CYS A 1 8 ? 57.681 -45.482 -23.499 1.00 61.36 ? 18 CYS A C 1 ? ? +72 ATOM O O . CYS A 1 8 ? 56.554 -45.886 -23.765 1.00 60.50 ? 18 CYS A O 1 ? ? +73 ATOM N N . ASN A 1 9 ? 58.206 -45.506 -22.269 1.00 61.56 ? 19 ASN A N 1 ? ? +74 ATOM C CA . ASN A 1 9 ? 57.438 -45.942 -21.114 1.00 61.20 ? 19 ASN A CA 1 ? ? +75 ATOM C CB . ASN A 1 9 ? 58.309 -46.006 -19.865 1.00 62.09 ? 19 ASN A CB 1 ? ? +76 ATOM C CG . ASN A 1 9 ? 59.131 -47.245 -19.797 1.00 63.20 ? 19 ASN A CG 1 ? ? +77 ATOM O OD1 . ASN A 1 9 ? 58.816 -48.257 -20.425 1.00 63.22 ? 19 ASN A OD1 1 ? ? +78 ATOM N ND2 . ASN A 1 9 ? 60.222 -47.203 -19.019 1.00 64.28 ? 19 ASN A ND2 1 ? ? +79 ATOM C C . ASN A 1 9 ? 56.220 -45.068 -20.828 1.00 59.85 ? 19 ASN A C 1 ? ? +80 ATOM O O . ASN A 1 9 ? 55.208 -45.591 -20.378 1.00 59.23 ? 19 ASN A O 1 ? ? +81 ATOM N N . TRP A 1 10 ? 56.350 -43.756 -21.068 1.00 59.19 ? 20 TRP A N 1 ? ? +82 ATOM C CA . TRP A 1 10 ? 55.273 -42.814 -20.844 1.00 58.13 ? 20 TRP A CA 1 ? ? +83 ATOM C CB . TRP A 1 10 ? 55.773 -41.341 -20.800 1.00 58.18 ? 20 TRP A CB 1 ? ? +84 ATOM C CG . TRP A 1 10 ? 54.608 -40.408 -20.653 1.00 57.53 ? 20 TRP A CG 1 ? ? +85 ATOM C CD1 . TRP A 1 10 ? 53.887 -40.173 -19.519 1.00 57.34 ? 20 TRP A CD1 1 ? ? +86 ATOM N NE1 . TRP A 1 10 ? 52.846 -39.324 -19.787 1.00 56.51 ? 20 TRP A NE1 1 ? ? +87 ATOM C CE2 . TRP A 1 10 ? 52.846 -39.024 -21.121 1.00 56.26 ? 20 TRP A CE2 1 ? ? +88 ATOM C CZ2 . TRP A 1 10 ? 51.973 -38.231 -21.868 1.00 55.58 ? 20 TRP A CZ2 1 ? ? +89 ATOM C CH2 . TRP A 1 10 ? 52.221 -38.113 -23.211 1.00 55.48 ? 20 TRP A CH2 1 ? ? +90 ATOM C CZ3 . TRP A 1 10 ? 53.297 -38.769 -23.817 1.00 56.11 ? 20 TRP A CZ3 1 ? ? +91 ATOM C CE3 . TRP A 1 10 ? 54.157 -39.570 -23.081 1.00 56.80 ? 20 TRP A CE3 1 ? ? +92 ATOM C CD2 . TRP A 1 10 ? 53.935 -39.707 -21.704 1.00 56.87 ? 20 TRP A CD2 1 ? ? +93 ATOM C C . TRP A 1 10 ? 54.186 -42.982 -21.908 1.00 57.03 ? 20 TRP A C 1 ? ? +94 ATOM O O . TRP A 1 10 ? 53.009 -43.021 -21.583 1.00 56.25 ? 20 TRP A O 1 ? ? +95 ATOM N N . VAL A 1 11 ? 54.602 -43.064 -23.175 1.00 56.78 ? 21 VAL A N 1 ? ? +96 ATOM C CA . VAL A 1 11 ? 53.704 -43.215 -24.304 1.00 55.83 ? 21 VAL A CA 1 ? ? +97 ATOM C CB . VAL A 1 11 ? 54.500 -43.194 -25.633 1.00 56.11 ? 21 VAL A CB 1 ? ? +98 ATOM C CG1 . VAL A 1 11 ? 53.667 -43.711 -26.807 1.00 55.59 ? 21 VAL A CG1 1 ? ? +99 ATOM C CG2 . VAL A 1 11 ? 55.044 -41.798 -25.932 1.00 56.16 ? 21 VAL A CG2 1 ? ? +100 ATOM C C . VAL A 1 11 ? 52.871 -44.489 -24.207 1.00 55.47 ? 21 VAL A C 1 ? ? +101 ATOM O O . VAL A 1 11 ? 51.689 -44.475 -24.563 1.00 54.87 ? 21 VAL A O 1 ? ? +102 ATOM N N . THR A 1 12 ? 53.486 -45.591 -23.767 1.00 55.81 ? 22 THR A N 1 ? ? +103 ATOM C CA . THR A 1 12 ? 52.791 -46.864 -23.664 1.00 55.56 ? 22 THR A CA 1 ? ? +104 ATOM C CB . THR A 1 12 ? 53.714 -48.011 -24.106 1.00 56.20 ? 22 THR A CB 1 ? ? +105 ATOM O OG1 . THR A 1 12 ? 54.842 -48.070 -23.232 1.00 56.92 ? 22 THR A OG1 1 ? ? +106 ATOM C CG2 . THR A 1 12 ? 54.161 -47.877 -25.534 1.00 56.15 ? 22 THR A CG2 1 ? ? +107 ATOM C C . THR A 1 12 ? 52.271 -47.168 -22.262 1.00 55.51 ? 22 THR A C 1 ? ? +108 ATOM O O . THR A 1 12 ? 51.895 -48.301 -21.986 1.00 55.51 ? 22 THR A O 1 ? ? +109 ATOM N N . SER A 1 13 ? 52.268 -46.166 -21.375 1.00 55.48 ? 23 SER A N 1 ? ? +110 ATOM C CA . SER A 1 13 ? 51.821 -46.369 -20.009 1.00 55.70 ? 23 SER A CA 1 ? ? +111 ATOM C CB . SER A 1 13 ? 52.172 -45.177 -19.127 1.00 55.81 ? 23 SER A CB 1 ? ? +112 ATOM O OG . SER A 1 13 ? 51.517 -45.269 -17.868 1.00 55.78 ? 23 SER A OG 1 ? ? +113 ATOM C C . SER A 1 13 ? 50.314 -46.614 -19.927 1.00 55.19 ? 23 SER A C 1 ? ? +114 ATOM O O . SER A 1 13 ? 49.516 -45.868 -20.503 1.00 54.41 ? 23 SER A O 1 ? ? +115 ATOM N N . THR A 1 14 ? 49.966 -47.654 -19.163 1.00 55.61 ? 24 THR A N 1 ? ? +116 ATOM C CA . THR A 1 14 ? 48.600 -47.991 -18.838 1.00 55.27 ? 24 THR A CA 1 ? ? +117 ATOM C CB . THR A 1 14 ? 48.502 -49.482 -18.523 1.00 55.67 ? 24 THR A CB 1 ? ? +118 ATOM O OG1 . THR A 1 14 ? 49.298 -49.805 -17.373 1.00 56.47 ? 24 THR A OG1 1 ? ? +119 ATOM C CG2 . THR A 1 14 ? 48.919 -50.353 -19.708 1.00 55.82 ? 24 THR A CG2 1 ? ? +120 ATOM C C . THR A 1 14 ? 48.057 -47.166 -17.678 1.00 55.32 ? 24 THR A C 1 ? ? +121 ATOM O O . THR A 1 14 ? 46.902 -47.346 -17.307 1.00 55.22 ? 24 THR A O 1 ? ? +122 ATOM N N . ASP A 1 15 ? 48.866 -46.242 -17.141 1.00 55.82 ? 25 ASP A N 1 ? ? +123 ATOM C CA . ASP A 1 15 ? 48.456 -45.388 -16.034 1.00 55.91 ? 25 ASP A CA 1 ? ? +124 ATOM C CB . ASP A 1 15 ? 49.572 -45.278 -14.997 1.00 56.93 ? 25 ASP A CB 1 ? ? +125 ATOM C CG . ASP A 1 15 ? 49.868 -46.607 -14.320 1.00 57.94 ? 25 ASP A CG 1 ? ? +126 ATOM O OD1 . ASP A 1 15 ? 48.921 -47.472 -14.263 1.00 57.98 ? 25 ASP A OD1 1 ? ? +127 ATOM O OD2 . ASP A 1 15 ? 51.069 -46.821 -13.879 1.00 58.78 ? 25 ASP A OD2 1 ? ? +128 ATOM C C . ASP A 1 15 ? 48.040 -43.978 -16.442 1.00 55.25 ? 25 ASP A C 1 ? ? +129 ATOM O O . ASP A 1 15 ? 47.676 -43.177 -15.590 1.00 55.33 ? 25 ASP A O 1 ? ? +130 ATOM N N . ASN A 1 16 ? 48.081 -43.667 -17.737 1.00 54.70 ? 26 ASN A N 1 ? ? +131 ATOM C CA . ASN A 1 16 ? 47.552 -42.403 -18.215 1.00 53.94 ? 26 ASN A CA 1 ? ? +132 ATOM C CB . ASN A 1 16 ? 48.127 -42.065 -19.577 1.00 54.00 ? 26 ASN A CB 1 ? ? +133 ATOM C CG . ASN A 1 16 ? 49.571 -41.657 -19.510 1.00 54.66 ? 26 ASN A CG 1 ? ? +134 ATOM O OD1 . ASN A 1 16 ? 50.002 -41.164 -18.491 1.00 55.15 ? 26 ASN A OD1 1 ? ? +135 ATOM N ND2 . ASN A 1 16 ? 50.313 -41.836 -20.597 1.00 54.86 ? 26 ASN A ND2 1 ? ? +136 ATOM C C . ASN A 1 16 ? 46.028 -42.464 -18.261 1.00 53.03 ? 26 ASN A C 1 ? ? +137 ATOM O O . ASN A 1 16 ? 45.447 -43.500 -18.579 1.00 52.91 ? 26 ASN A O 1 ? ? +138 ATOM N N . ARG A 1 17 ? 45.392 -41.343 -17.919 1.00 52.30 ? 27 ARG A N 1 ? ? +139 ATOM C CA . ARG A 1 17 ? 43.945 -41.285 -17.813 1.00 51.45 ? 27 ARG A CA 1 ? ? +140 ATOM C CB . ARG A 1 17 ? 43.517 -39.904 -17.286 1.00 51.08 ? 27 ARG A CB 1 ? ? +141 ATOM C CG . ARG A 1 17 ? 42.045 -39.665 -17.256 1.00 50.42 ? 27 ARG A CG 1 ? ? +142 ATOM C CD . ARG A 1 17 ? 41.343 -40.720 -16.450 1.00 50.55 ? 27 ARG A CD 1 ? ? +143 ATOM N NE . ARG A 1 17 ? 39.896 -40.518 -16.426 1.00 49.96 ? 27 ARG A NE 1 ? ? +144 ATOM C CZ . ARG A 1 17 ? 39.058 -40.928 -17.367 1.00 49.53 ? 27 ARG A CZ 1 ? ? +145 ATOM N NH1 . ARG A 1 17 ? 39.474 -41.640 -18.402 1.00 49.58 ? 27 ARG A NH1 1 ? ? +146 ATOM N NH2 . ARG A 1 17 ? 37.759 -40.652 -17.248 1.00 49.07 ? 27 ARG A NH2 1 ? ? +147 ATOM C C . ARG A 1 17 ? 43.337 -41.603 -19.175 1.00 50.79 ? 27 ARG A C 1 ? ? +148 ATOM O O . ARG A 1 17 ? 42.295 -42.240 -19.253 1.00 50.43 ? 27 ARG A O 1 ? ? +149 ATOM N N . LEU A 1 18 ? 44.008 -41.137 -20.235 1.00 50.56 ? 28 LEU A N 1 ? ? +150 ATOM C CA . LEU A 1 18 ? 43.715 -41.522 -21.604 1.00 50.04 ? 28 LEU A CA 1 ? ? +151 ATOM C CB . LEU A 1 18 ? 43.330 -40.297 -22.407 1.00 49.61 ? 28 LEU A CB 1 ? ? +152 ATOM C CG . LEU A 1 18 ? 42.065 -39.549 -21.923 1.00 49.18 ? 28 LEU A CG 1 ? ? +153 ATOM C CD1 . LEU A 1 18 ? 41.850 -38.276 -22.714 1.00 48.84 ? 28 LEU A CD1 1 ? ? +154 ATOM C CD2 . LEU A 1 18 ? 40.842 -40.389 -22.031 1.00 48.78 ? 28 LEU A CD2 1 ? ? +155 ATOM C C . LEU A 1 18 ? 44.988 -42.154 -22.166 1.00 50.36 ? 28 LEU A C 1 ? ? +156 ATOM O O . LEU A 1 18 ? 46.071 -41.573 -22.062 1.00 50.69 ? 28 LEU A O 1 ? ? +157 ATOM N N . TYR A 1 19 ? 44.860 -43.364 -22.728 1.00 50.13 ? 29 TYR A N 1 ? ? +158 ATOM C CA . TYR A 1 19 ? 46.006 -44.072 -23.273 1.00 50.42 ? 29 TYR A CA 1 ? ? +159 ATOM C CB . TYR A 1 19 ? 45.667 -45.536 -23.615 1.00 50.52 ? 29 TYR A CB 1 ? ? +160 ATOM C CG . TYR A 1 19 ? 46.835 -46.321 -24.149 1.00 51.12 ? 29 TYR A CG 1 ? ? +161 ATOM C CD1 . TYR A 1 19 ? 47.857 -46.725 -23.317 1.00 51.83 ? 29 TYR A CD1 1 ? ? +162 ATOM C CD2 . TYR A 1 19 ? 46.931 -46.636 -25.496 1.00 51.02 ? 29 TYR A CD2 1 ? ? +163 ATOM C CE1 . TYR A 1 19 ? 48.954 -47.425 -23.803 1.00 52.43 ? 29 TYR A CE1 1 ? ? +164 ATOM C CE2 . TYR A 1 19 ? 48.015 -47.347 -25.996 1.00 51.60 ? 29 TYR A CE2 1 ? ? +165 ATOM C CZ . TYR A 1 19 ? 49.038 -47.728 -25.145 1.00 52.33 ? 29 TYR A CZ 1 ? ? +166 ATOM O OH . TYR A 1 19 ? 50.152 -48.419 -25.607 1.00 52.95 ? 29 TYR A OH 1 ? ? +167 ATOM C C . TYR A 1 19 ? 46.463 -43.308 -24.510 1.00 50.08 ? 29 TYR A C 1 ? ? +168 ATOM O O . TYR A 1 19 ? 45.649 -42.908 -25.334 1.00 49.44 ? 29 TYR A O 1 ? ? +169 ATOM N N . VAL A 1 20 ? 47.775 -43.080 -24.613 1.00 50.44 ? 30 VAL A N 1 ? ? +170 ATOM C CA . VAL A 1 20 ? 48.360 -42.488 -25.801 1.00 50.27 ? 30 VAL A CA 1 ? ? +171 ATOM C CB . VAL A 1 20 ? 49.595 -41.591 -25.425 1.00 50.77 ? 30 VAL A CB 1 ? ? +172 ATOM C CG1 . VAL A 1 20 ? 50.232 -40.960 -26.653 1.00 50.81 ? 30 VAL A CG1 1 ? ? +173 ATOM C CG2 . VAL A 1 20 ? 49.205 -40.512 -24.417 1.00 50.55 ? 30 VAL A CG2 1 ? ? +174 ATOM C C . VAL A 1 20 ? 48.704 -43.643 -26.734 1.00 50.38 ? 30 VAL A C 1 ? ? +175 ATOM O O . VAL A 1 20 ? 47.946 -43.982 -27.649 1.00 49.89 ? 30 VAL A O 1 ? ? +176 ATOM N N . GLY A 1 21 ? 49.861 -44.259 -26.464 1.00 50.96 ? 31 GLY A N 1 ? ? +177 ATOM C CA . GLY A 1 21 ? 50.416 -45.270 -27.342 1.00 51.23 ? 31 GLY A CA 1 ? ? +178 ATOM C C . GLY A 1 21 ? 50.916 -44.698 -28.661 1.00 51.09 ? 31 GLY A C 1 ? ? +179 ATOM O O . GLY A 1 21 ? 50.748 -43.514 -28.951 1.00 50.69 ? 31 GLY A O 1 ? ? +180 ATOM N N . TRP A 1 22 ? 51.502 -45.584 -29.468 1.00 51.40 ? 32 TRP A N 1 ? ? +181 ATOM C CA . TRP A 1 22 ? 52.148 -45.181 -30.699 1.00 51.52 ? 32 TRP A CA 1 ? ? +182 ATOM C CB . TRP A 1 22 ? 53.082 -46.302 -31.140 1.00 52.22 ? 32 TRP A CB 1 ? ? +183 ATOM C CG . TRP A 1 22 ? 54.193 -46.534 -30.141 1.00 53.03 ? 32 TRP A CG 1 ? ? +184 ATOM C CD1 . TRP A 1 22 ? 54.447 -47.679 -29.449 1.00 53.51 ? 32 TRP A CD1 1 ? ? +185 ATOM N NE1 . TRP A 1 22 ? 55.514 -47.504 -28.619 1.00 54.20 ? 32 TRP A NE1 1 ? ? +186 ATOM C CE2 . TRP A 1 22 ? 55.977 -46.220 -28.753 1.00 54.21 ? 32 TRP A CE2 1 ? ? +187 ATOM C CZ2 . TRP A 1 22 ? 57.051 -45.570 -28.128 1.00 54.81 ? 32 TRP A CZ2 1 ? ? +188 ATOM C CH2 . TRP A 1 22 ? 57.290 -44.265 -28.474 1.00 54.64 ? 32 TRP A CH2 1 ? ? +189 ATOM C CZ3 . TRP A 1 22 ? 56.502 -43.608 -29.413 1.00 53.96 ? 32 TRP A CZ3 1 ? ? +190 ATOM C CE3 . TRP A 1 22 ? 55.432 -44.251 -30.037 1.00 53.38 ? 32 TRP A CE3 1 ? ? +191 ATOM C CD2 . TRP A 1 22 ? 55.159 -45.581 -29.705 1.00 53.48 ? 32 TRP A CD2 1 ? ? +192 ATOM C C . TRP A 1 22 ? 51.143 -44.747 -31.764 1.00 50.82 ? 32 TRP A C 1 ? ? +193 ATOM O O . TRP A 1 22 ? 51.333 -43.734 -32.428 1.00 50.67 ? 32 TRP A O 1 ? ? +194 ATOM N N . PHE A 1 23 ? 50.049 -45.491 -31.906 1.00 50.40 ? 33 PHE A N 1 ? ? +195 ATOM C CA . PHE A 1 23 ? 48.926 -45.023 -32.710 1.00 49.70 ? 33 PHE A CA 1 ? ? +196 ATOM C CB . PHE A 1 23 ? 47.793 -46.053 -32.722 1.00 49.38 ? 33 PHE A CB 1 ? ? +197 ATOM C CG . PHE A 1 23 ? 48.077 -47.220 -33.644 1.00 49.68 ? 33 PHE A CG 1 ? ? +198 ATOM C CD1 . PHE A 1 23 ? 48.142 -47.042 -35.014 1.00 49.59 ? 33 PHE A CD1 1 ? ? +199 ATOM C CD2 . PHE A 1 23 ? 48.322 -48.479 -33.137 1.00 50.11 ? 33 PHE A CD2 1 ? ? +200 ATOM C CE1 . PHE A 1 23 ? 48.402 -48.100 -35.854 1.00 49.89 ? 33 PHE A CE1 1 ? ? +201 ATOM C CE2 . PHE A 1 23 ? 48.578 -49.543 -33.984 1.00 50.41 ? 33 PHE A CE2 1 ? ? +202 ATOM C CZ . PHE A 1 23 ? 48.610 -49.346 -35.341 1.00 50.29 ? 33 PHE A CZ 1 ? ? +203 ATOM C C . PHE A 1 23 ? 48.451 -43.654 -32.236 1.00 49.26 ? 33 PHE A C 1 ? ? +204 ATOM O O . PHE A 1 23 ? 48.235 -42.760 -33.045 1.00 48.94 ? 33 PHE A O 1 ? ? +205 ATOM N N . GLY A 1 24 ? 48.354 -43.478 -30.918 1.00 49.29 ? 34 GLY A N 1 ? ? +206 ATOM C CA . GLY A 1 24 ? 47.979 -42.197 -30.343 1.00 48.93 ? 34 GLY A CA 1 ? ? +207 ATOM C C . GLY A 1 24 ? 48.838 -41.014 -30.778 1.00 49.11 ? 34 GLY A C 1 ? ? +208 ATOM O O . GLY A 1 24 ? 48.349 -39.897 -30.900 1.00 48.69 ? 34 GLY A O 1 ? ? +209 ATOM N N . VAL A 1 25 ? 50.142 -41.268 -30.965 1.00 49.77 ? 35 VAL A N 1 ? ? +210 ATOM C CA . VAL A 1 25 ? 51.078 -40.239 -31.394 1.00 50.05 ? 35 VAL A CA 1 ? ? +211 ATOM C CB . VAL A 1 25 ? 52.504 -40.836 -31.380 1.00 50.89 ? 35 VAL A CB 1 ? ? +212 ATOM C CG1 . VAL A 1 25 ? 53.416 -40.166 -32.391 1.00 51.21 ? 35 VAL A CG1 1 ? ? +213 ATOM C CG2 . VAL A 1 25 ? 53.075 -40.756 -29.978 1.00 51.31 ? 35 VAL A CG2 1 ? ? +214 ATOM C C . VAL A 1 25 ? 50.716 -39.616 -32.742 1.00 49.68 ? 35 VAL A C 1 ? ? +215 ATOM O O . VAL A 1 25 ? 50.906 -38.421 -32.948 1.00 49.60 ? 35 VAL A O 1 ? ? +216 ATOM N N . ILE A 1 26 ? 50.203 -40.439 -33.660 1.00 49.48 ? 36 ILE A N 1 ? ? +217 ATOM C CA . ILE A 1 26 ? 49.674 -39.954 -34.925 1.00 49.08 ? 36 ILE A CA 1 ? ? +218 ATOM C CB . ILE A 1 26 ? 49.773 -41.023 -36.043 1.00 49.24 ? 36 ILE A CB 1 ? ? +219 ATOM C CG1 . ILE A 1 26 ? 51.199 -41.602 -36.244 1.00 50.04 ? 36 ILE A CG1 1 ? ? +220 ATOM C CG2 . ILE A 1 26 ? 49.326 -40.441 -37.329 1.00 48.90 ? 36 ILE A CG2 1 ? ? +221 ATOM C CD1 . ILE A 1 26 ? 52.249 -40.602 -36.695 1.00 50.42 ? 36 ILE A CD1 1 ? ? +222 ATOM C C . ILE A 1 26 ? 48.228 -39.468 -34.761 1.00 48.33 ? 36 ILE A C 1 ? ? +223 ATOM O O . ILE A 1 26 ? 47.820 -38.473 -35.360 1.00 47.98 ? 36 ILE A O 1 ? ? +224 ATOM N N . MET A 1 27 ? 47.448 -40.155 -33.932 1.00 48.10 ? 37 MET A N 1 ? ? +225 ATOM C CA . MET A 1 27 ? 46.018 -39.871 -33.831 1.00 47.42 ? 37 MET A CA 1 ? ? +226 ATOM C CB . MET A 1 27 ? 45.334 -40.908 -32.933 1.00 47.33 ? 37 MET A CB 1 ? ? +227 ATOM C CG . MET A 1 27 ? 43.837 -40.637 -32.747 1.00 46.67 ? 37 MET A CG 1 ? ? +228 ATOM S SD . MET A 1 27 ? 43.101 -41.746 -31.552 1.00 46.64 ? 37 MET A SD 1 ? ? +229 ATOM C CE . MET A 1 27 ? 43.473 -40.834 -30.069 1.00 46.75 ? 37 MET A CE 1 ? ? +230 ATOM C C . MET A 1 27 ? 45.720 -38.476 -33.281 1.00 47.16 ? 37 MET A C 1 ? ? +231 ATOM O O . MET A 1 27 ? 44.871 -37.760 -33.809 1.00 46.68 ? 37 MET A O 1 ? ? +232 ATOM N N . ILE A 1 28 ? 46.415 -38.108 -32.200 1.00 47.58 ? 38 ILE A N 1 ? ? +233 ATOM C CA . ILE A 1 28 ? 46.114 -36.891 -31.464 1.00 47.40 ? 38 ILE A CA 1 ? ? +234 ATOM C CB . ILE A 1 28 ? 46.882 -36.870 -30.119 1.00 47.97 ? 38 ILE A CB 1 ? ? +235 ATOM C CG1 . ILE A 1 28 ? 46.342 -37.965 -29.167 1.00 48.05 ? 38 ILE A CG1 1 ? ? +236 ATOM C CG2 . ILE A 1 28 ? 46.863 -35.475 -29.462 1.00 47.85 ? 38 ILE A CG2 1 ? ? +237 ATOM C CD1 . ILE A 1 28 ? 47.098 -38.110 -27.811 1.00 48.60 ? 38 ILE A CD1 1 ? ? +238 ATOM C C . ILE A 1 28 ? 46.350 -35.631 -32.295 1.00 47.28 ? 38 ILE A C 1 ? ? +239 ATOM O O . ILE A 1 28 ? 45.476 -34.774 -32.377 1.00 46.83 ? 38 ILE A O 1 ? ? +240 ATOM N N . PRO A 1 29 ? 47.514 -35.435 -32.943 1.00 47.71 ? 39 PRO A N 1 ? ? +241 ATOM C CA . PRO A 1 29 ? 47.692 -34.258 -33.788 1.00 47.61 ? 39 PRO A CA 1 ? ? +242 ATOM C CB . PRO A 1 29 ? 49.144 -34.399 -34.307 1.00 48.29 ? 39 PRO A CB 1 ? ? +243 ATOM C CG . PRO A 1 29 ? 49.810 -35.299 -33.334 1.00 48.77 ? 39 PRO A CG 1 ? ? +244 ATOM C CD . PRO A 1 29 ? 48.727 -36.261 -32.866 1.00 48.37 ? 39 PRO A CD 1 ? ? +245 ATOM C C . PRO A 1 29 ? 46.694 -34.154 -34.936 1.00 47.03 ? 39 PRO A C 1 ? ? +246 ATOM O O . PRO A 1 29 ? 46.261 -33.061 -35.254 1.00 46.70 ? 39 PRO A O 1 ? ? +247 ATOM N N . THR A 1 30 ? 46.390 -35.283 -35.578 1.00 46.99 ? 40 THR A N 1 ? ? +248 ATOM C CA . THR A 1 30 ? 45.573 -35.289 -36.780 1.00 46.65 ? 40 THR A CA 1 ? ? +249 ATOM C CB . THR A 1 30 ? 45.806 -36.576 -37.591 1.00 46.86 ? 40 THR A CB 1 ? ? +250 ATOM O OG1 . THR A 1 30 ? 45.552 -37.715 -36.776 1.00 46.88 ? 40 THR A OG1 1 ? ? +251 ATOM C CG2 . THR A 1 30 ? 47.240 -36.656 -38.182 1.00 47.52 ? 40 THR A CG2 1 ? ? +252 ATOM C C . THR A 1 30 ? 44.098 -35.028 -36.441 1.00 46.08 ? 40 THR A C 1 ? ? +253 ATOM O O . THR A 1 30 ? 43.438 -34.219 -37.086 1.00 45.67 ? 40 THR A O 1 ? ? +254 ATOM N N . LEU A 1 31 ? 43.601 -35.661 -35.380 1.00 46.07 ? 41 LEU A N 1 ? ? +255 ATOM C CA . LEU A 1 31 ? 42.248 -35.383 -34.917 1.00 45.64 ? 41 LEU A CA 1 ? ? +256 ATOM C CB . LEU A 1 31 ? 41.822 -36.342 -33.803 1.00 45.63 ? 41 LEU A CB 1 ? ? +257 ATOM C CG . LEU A 1 31 ? 41.531 -37.782 -34.217 1.00 45.71 ? 41 LEU A CG 1 ? ? +258 ATOM C CD1 . LEU A 1 31 ? 40.919 -38.551 -33.067 1.00 45.66 ? 41 LEU A CD1 1 ? ? +259 ATOM C CD2 . LEU A 1 31 ? 40.624 -37.857 -35.421 1.00 45.33 ? 41 LEU A CD2 1 ? ? +260 ATOM C C . LEU A 1 31 ? 42.103 -33.942 -34.427 1.00 45.57 ? 41 LEU A C 1 ? ? +261 ATOM O O . LEU A 1 31 ? 41.040 -33.338 -34.610 1.00 45.09 ? 41 LEU A O 1 ? ? +262 ATOM N N . LEU A 1 32 ? 43.170 -33.387 -33.820 1.00 46.05 ? 42 LEU A N 1 ? ? +263 ATOM C CA . LEU A 1 32 ? 43.114 -32.013 -33.350 1.00 46.02 ? 42 LEU A CA 1 ? ? +264 ATOM C CB . LEU A 1 32 ? 44.315 -31.616 -32.484 1.00 46.58 ? 42 LEU A CB 1 ? ? +265 ATOM C CG . LEU A 1 32 ? 44.224 -31.985 -30.998 1.00 46.67 ? 42 LEU A CG 1 ? ? +266 ATOM C CD1 . LEU A 1 32 ? 45.471 -31.579 -30.266 1.00 47.26 ? 42 LEU A CD1 1 ? ? +267 ATOM C CD2 . LEU A 1 32 ? 43.015 -31.332 -30.327 1.00 46.15 ? 42 LEU A CD2 1 ? ? +268 ATOM C C . LEU A 1 32 ? 43.016 -31.091 -34.558 1.00 45.95 ? 42 LEU A C 1 ? ? +269 ATOM O O . LEU A 1 32 ? 42.177 -30.189 -34.589 1.00 45.61 ? 42 LEU A O 1 ? ? +270 ATOM N N . ALA A 1 33 ? 43.865 -31.329 -35.560 1.00 46.32 ? 43 ALA A N 1 ? ? +271 ATOM C CA . ALA A 1 33 ? 43.838 -30.499 -36.752 1.00 46.28 ? 43 ALA A CA 1 ? ? +272 ATOM C CB . ALA A 1 33 ? 44.902 -30.932 -37.729 1.00 46.74 ? 43 ALA A CB 1 ? ? +273 ATOM C C . ALA A 1 33 ? 42.454 -30.540 -37.407 1.00 45.72 ? 43 ALA A C 1 ? ? +274 ATOM O O . ALA A 1 33 ? 41.886 -29.503 -37.724 1.00 45.44 ? 43 ALA A O 1 ? ? +275 ATOM N N . ALA A 1 34 ? 41.933 -31.747 -37.631 1.00 45.61 ? 44 ALA A N 1 ? ? +276 ATOM C CA . ALA A 1 34 ? 40.641 -31.922 -38.281 1.00 45.15 ? 44 ALA A CA 1 ? ? +277 ATOM C CB . ALA A 1 34 ? 40.307 -33.398 -38.401 1.00 45.12 ? 44 ALA A CB 1 ? ? +278 ATOM C C . ALA A 1 34 ? 39.540 -31.196 -37.515 1.00 44.77 ? 44 ALA A C 1 ? ? +279 ATOM O O . ALA A 1 34 ? 38.714 -30.509 -38.103 1.00 44.49 ? 44 ALA A O 1 ? ? +280 ATOM N N . THR A 1 35 ? 39.555 -31.338 -36.187 1.00 44.89 ? 45 THR A N 1 ? ? +281 ATOM C CA . THR A 1 35 ? 38.527 -30.768 -35.332 1.00 44.54 ? 45 THR A CA 1 ? ? +282 ATOM C CB . THR A 1 35 ? 38.694 -31.310 -33.920 1.00 44.70 ? 45 THR A CB 1 ? ? +283 ATOM O OG1 . THR A 1 35 ? 38.521 -32.729 -33.951 1.00 44.72 ? 45 THR A OG1 1 ? ? +284 ATOM C CG2 . THR A 1 35 ? 37.702 -30.687 -32.946 1.00 44.40 ? 45 THR A CG2 1 ? ? +285 ATOM C C . THR A 1 35 ? 38.542 -29.240 -35.329 1.00 44.51 ? 45 THR A C 1 ? ? +286 ATOM O O . THR A 1 35 ? 37.509 -28.601 -35.483 1.00 44.11 ? 45 THR A O 1 ? ? +287 ATOM N N . ILE A 1 36 ? 39.723 -28.647 -35.137 1.00 44.94 ? 46 ILE A N 1 ? ? +288 ATOM C CA . ILE A 1 36 ? 39.821 -27.200 -35.063 1.00 44.95 ? 46 ILE A CA 1 ? ? +289 ATOM C CB . ILE A 1 36 ? 41.234 -26.779 -34.628 1.00 45.48 ? 46 ILE A CB 1 ? ? +290 ATOM C CG1 . ILE A 1 36 ? 41.453 -27.164 -33.170 1.00 45.63 ? 46 ILE A CG1 1 ? ? +291 ATOM C CG2 . ILE A 1 36 ? 41.475 -25.292 -34.848 1.00 45.52 ? 46 ILE A CG2 1 ? ? +292 ATOM C CD1 . ILE A 1 36 ? 42.959 -27.078 -32.745 1.00 46.30 ? 46 ILE A CD1 1 ? ? +293 ATOM C C . ILE A 1 36 ? 39.384 -26.569 -36.383 1.00 44.81 ? 46 ILE A C 1 ? ? +294 ATOM O O . ILE A 1 36 ? 38.659 -25.580 -36.388 1.00 44.56 ? 46 ILE A O 1 ? ? +295 ATOM N N . CYS A 1 37 ? 39.836 -27.143 -37.504 1.00 45.05 ? 47 CYS A N 1 ? ? +296 ATOM C CA . CYS A 1 37 ? 39.450 -26.656 -38.816 1.00 44.96 ? 47 CYS A CA 1 ? ? +297 ATOM C CB . CYS A 1 37 ? 40.263 -27.342 -39.895 1.00 45.30 ? 47 CYS A CB 1 ? ? +298 ATOM S SG . CYS A 1 37 ? 39.983 -26.669 -41.545 1.00 45.35 ? 47 CYS A SG 1 ? ? +299 ATOM C C . CYS A 1 37 ? 37.950 -26.824 -39.077 1.00 44.51 ? 47 CYS A C 1 ? ? +300 ATOM O O . CYS A 1 37 ? 37.321 -25.958 -39.666 1.00 44.22 ? 47 CYS A O 1 ? ? +301 ATOM N N . PHE A 1 38 ? 37.398 -27.965 -38.669 1.00 44.46 ? 48 PHE A N 1 ? ? +302 ATOM C CA . PHE A 1 38 ? 35.980 -28.219 -38.837 1.00 44.16 ? 48 PHE A CA 1 ? ? +303 ATOM C CB . PHE A 1 38 ? 35.617 -29.579 -38.284 1.00 44.08 ? 48 PHE A CB 1 ? ? +304 ATOM C CG . PHE A 1 38 ? 34.130 -29.817 -38.331 1.00 43.65 ? 48 PHE A CG 1 ? ? +305 ATOM C CD1 . PHE A 1 38 ? 33.498 -30.067 -39.521 1.00 43.51 ? 48 PHE A CD1 1 ? ? +306 ATOM C CD2 . PHE A 1 38 ? 33.370 -29.746 -37.188 1.00 43.41 ? 48 PHE A CD2 1 ? ? +307 ATOM C CE1 . PHE A 1 38 ? 32.124 -30.290 -39.565 1.00 43.15 ? 48 PHE A CE1 1 ? ? +308 ATOM C CE2 . PHE A 1 38 ? 32.004 -29.969 -37.231 1.00 43.07 ? 48 PHE A CE2 1 ? ? +309 ATOM C CZ . PHE A 1 38 ? 31.392 -30.249 -38.422 1.00 42.94 ? 48 PHE A CZ 1 ? ? +310 ATOM C C . PHE A 1 38 ? 35.148 -27.138 -38.148 1.00 44.01 ? 48 PHE A C 1 ? ? +311 ATOM O O . PHE A 1 38 ? 34.308 -26.501 -38.774 1.00 43.70 ? 48 PHE A O 1 ? ? +312 ATOM N N . VAL A 1 39 ? 35.445 -26.913 -36.861 1.00 44.27 ? 49 VAL A N 1 ? ? +313 ATOM C CA . VAL A 1 39 ? 34.717 -25.959 -36.045 1.00 44.07 ? 49 VAL A CA 1 ? ? +314 ATOM C CB . VAL A 1 39 ? 35.206 -26.013 -34.584 1.00 44.22 ? 49 VAL A CB 1 ? ? +315 ATOM C CG1 . VAL A 1 39 ? 34.649 -24.854 -33.766 1.00 44.06 ? 49 VAL A CG1 1 ? ? +316 ATOM C CG2 . VAL A 1 39 ? 34.831 -27.344 -33.949 1.00 44.14 ? 49 VAL A CG2 1 ? ? +317 ATOM C C . VAL A 1 39 ? 34.821 -24.553 -36.627 1.00 44.16 ? 49 VAL A C 1 ? ? +318 ATOM O O . VAL A 1 39 ? 33.809 -23.862 -36.761 1.00 43.85 ? 49 VAL A O 1 ? ? +319 ATOM N N . ILE A 1 40 ? 36.042 -24.118 -36.955 1.00 44.47 ? 50 ILE A N 1 ? ? +320 ATOM C CA . ILE A 1 40 ? 36.197 -22.780 -37.495 1.00 44.58 ? 50 ILE A CA 1 ? ? +321 ATOM C CB . ILE A 1 40 ? 37.679 -22.378 -37.673 1.00 45.11 ? 50 ILE A CB 1 ? ? +322 ATOM C CG1 . ILE A 1 40 ? 38.352 -22.283 -36.313 1.00 45.38 ? 50 ILE A CG1 1 ? ? +323 ATOM C CG2 . ILE A 1 40 ? 37.775 -21.076 -38.444 1.00 45.13 ? 50 ILE A CG2 1 ? ? +324 ATOM C CD1 . ILE A 1 40 ? 39.825 -22.115 -36.382 1.00 46.04 ? 50 ILE A CD1 1 ? ? +325 ATOM C C . ILE A 1 40 ? 35.422 -22.631 -38.801 1.00 44.38 ? 50 ILE A C 1 ? ? +326 ATOM O O . ILE A 1 40 ? 34.746 -21.626 -38.987 1.00 44.15 ? 50 ILE A O 1 ? ? +327 ATOM N N . ALA A 1 41 ? 35.560 -23.614 -39.702 1.00 44.55 ? 51 ALA A N 1 ? ? +328 ATOM C CA . ALA A 1 41 ? 34.922 -23.580 -41.010 1.00 44.51 ? 51 ALA A CA 1 ? ? +329 ATOM C CB . ALA A 1 41 ? 35.407 -24.730 -41.874 1.00 44.68 ? 51 ALA A CB 1 ? ? +330 ATOM C C . ALA A 1 41 ? 33.400 -23.646 -40.899 1.00 44.17 ? 51 ALA A C 1 ? ? +331 ATOM O O . ALA A 1 41 ? 32.690 -22.952 -41.605 1.00 44.00 ? 51 ALA A O 1 ? ? +332 ATOM N N . PHE A 1 42 ? 32.902 -24.514 -40.026 1.00 44.25 ? 52 PHE A N 1 ? ? +333 ATOM C CA . PHE A 1 42 ? 31.467 -24.649 -39.844 1.00 44.10 ? 52 PHE A CA 1 ? ? +334 ATOM C CB . PHE A 1 42 ? 31.143 -25.724 -38.812 1.00 44.10 ? 52 PHE A CB 1 ? ? +335 ATOM C CG . PHE A 1 42 ? 29.708 -26.161 -38.837 1.00 43.99 ? 52 PHE A CG 1 ? ? +336 ATOM C CD1 . PHE A 1 42 ? 29.278 -27.123 -39.724 1.00 44.05 ? 52 PHE A CD1 1 ? ? +337 ATOM C CD2 . PHE A 1 42 ? 28.786 -25.598 -37.983 1.00 43.90 ? 52 PHE A CD2 1 ? ? +338 ATOM C CE1 . PHE A 1 42 ? 27.940 -27.524 -39.750 1.00 43.90 ? 52 PHE A CE1 1 ? ? +339 ATOM C CE2 . PHE A 1 42 ? 27.443 -25.994 -38.012 1.00 43.74 ? 52 PHE A CE2 1 ? ? +340 ATOM C CZ . PHE A 1 42 ? 27.026 -26.950 -38.898 1.00 43.67 ? 52 PHE A CZ 1 ? ? +341 ATOM C C . PHE A 1 42 ? 30.865 -23.308 -39.435 1.00 43.99 ? 52 PHE A C 1 ? ? +342 ATOM O O . PHE A 1 42 ? 29.812 -22.945 -39.927 1.00 43.69 ? 52 PHE A O 1 ? ? +343 ATOM N N . ILE A 1 43 ? 31.573 -22.545 -38.589 1.00 44.26 ? 53 ILE A N 1 ? ? +344 ATOM C CA . ILE A 1 43 ? 31.064 -21.274 -38.097 1.00 44.14 ? 53 ILE A CA 1 ? ? +345 ATOM C CB . ILE A 1 43 ? 31.738 -20.893 -36.757 1.00 44.33 ? 53 ILE A CB 1 ? ? +346 ATOM C CG1 . ILE A 1 43 ? 31.441 -21.928 -35.673 1.00 44.24 ? 53 ILE A CG1 1 ? ? +347 ATOM C CG2 . ILE A 1 43 ? 31.306 -19.504 -36.296 1.00 44.32 ? 53 ILE A CG2 1 ? ? +348 ATOM C CD1 . ILE A 1 43 ? 32.085 -21.672 -34.356 1.00 44.41 ? 53 ILE A CD1 1 ? ? +349 ATOM C C . ILE A 1 43 ? 31.208 -20.146 -39.116 1.00 44.27 ? 53 ILE A C 1 ? ? +350 ATOM O O . ILE A 1 43 ? 30.259 -19.379 -39.311 1.00 44.13 ? 53 ILE A O 1 ? ? +351 ATOM N N . ALA A 1 44 ? 32.386 -20.063 -39.764 1.00 44.48 ? 54 ALA A N 1 ? ? +352 ATOM C CA . ALA A 1 44 ? 32.815 -18.842 -40.430 1.00 44.57 ? 54 ALA A CA 1 ? ? +353 ATOM C CB . ALA A 1 44 ? 33.930 -18.228 -39.596 1.00 44.87 ? 54 ALA A CB 1 ? ? +354 ATOM C C . ALA A 1 44 ? 33.297 -18.933 -41.878 1.00 44.76 ? 54 ALA A C 1 ? ? +355 ATOM O O . ALA A 1 44 ? 33.662 -17.913 -42.453 1.00 44.94 ? 54 ALA A O 1 ? ? +356 ATOM N N . ALA A 1 45 ? 33.313 -20.126 -42.481 1.00 44.75 ? 55 ALA A N 1 ? ? +357 ATOM C CA . ALA A 1 45 ? 33.914 -20.275 -43.801 1.00 45.05 ? 55 ALA A CA 1 ? ? +358 ATOM C CB . ALA A 1 45 ? 34.138 -21.741 -44.130 1.00 45.09 ? 55 ALA A CB 1 ? ? +359 ATOM C C . ALA A 1 45 ? 33.034 -19.621 -44.862 1.00 44.98 ? 55 ALA A C 1 ? ? +360 ATOM O O . ALA A 1 45 ? 31.809 -19.673 -44.757 1.00 44.97 ? 55 ALA A O 1 ? ? +361 ATOM N N . PRO A 1 46 ? 33.607 -18.928 -45.875 1.00 45.18 ? 56 PRO A N 1 ? ? +362 ATOM C CA . PRO A 1 46 ? 32.800 -18.320 -46.934 1.00 45.03 ? 56 PRO A CA 1 ? ? +363 ATOM C CB . PRO A 1 46 ? 33.779 -17.341 -47.585 1.00 45.45 ? 56 PRO A CB 1 ? ? +364 ATOM C CG . PRO A 1 46 ? 35.141 -17.978 -47.361 1.00 45.79 ? 56 PRO A CG 1 ? ? +365 ATOM C CD . PRO A 1 46 ? 35.049 -18.636 -46.018 1.00 45.59 ? 56 PRO A CD 1 ? ? +366 ATOM C C . PRO A 1 46 ? 32.275 -19.363 -47.918 1.00 44.91 ? 56 PRO A C 1 ? ? +367 ATOM O O . PRO A 1 46 ? 32.700 -20.506 -47.877 1.00 44.94 ? 56 PRO A O 1 ? ? +368 ATOM N N A PRO A 1 47 ? 31.315 -19.015 -48.807 0.40 44.85 ? 57 PRO A N 1 ? ? +369 ATOM N N B PRO A 1 47 ? 31.321 -19.018 -48.812 0.60 44.79 ? 57 PRO A N 1 ? ? +370 ATOM C CA A PRO A 1 47 ? 30.762 -19.982 -49.757 0.40 44.82 ? 57 PRO A CA 1 ? ? +371 ATOM C CA B PRO A 1 47 ? 30.773 -19.993 -49.759 0.60 44.72 ? 57 PRO A CA 1 ? ? +372 ATOM C C A PRO A 1 47 ? 31.819 -20.666 -50.618 0.40 45.18 ? 57 PRO A C 1 ? ? +373 ATOM C C B PRO A 1 47 ? 31.837 -20.671 -50.618 0.60 45.02 ? 57 PRO A C 1 ? ? +374 ATOM O O A PRO A 1 47 ? 32.826 -20.059 -50.978 0.40 45.66 ? 57 PRO A O 1 ? ? +375 ATOM O O B PRO A 1 47 ? 32.835 -20.051 -50.983 0.60 45.54 ? 57 PRO A O 1 ? ? +376 ATOM C CB A PRO A 1 47 ? 29.802 -19.138 -50.599 0.40 44.76 ? 57 PRO A CB 1 ? ? +377 ATOM C CB B PRO A 1 47 ? 29.802 -19.159 -50.597 0.60 44.64 ? 57 PRO A CB 1 ? ? +378 ATOM C CG A PRO A 1 47 ? 29.413 -18.005 -49.696 0.40 44.61 ? 57 PRO A CG 1 ? ? +379 ATOM C CG B PRO A 1 47 ? 29.396 -18.038 -49.683 0.60 44.50 ? 57 PRO A CG 1 ? ? +380 ATOM C CD A PRO A 1 47 ? 30.656 -17.701 -48.892 0.40 44.80 ? 57 PRO A CD 1 ? ? +381 ATOM C CD B PRO A 1 47 ? 30.645 -17.713 -48.890 0.60 44.72 ? 57 PRO A CD 1 ? ? +382 ATOM N N A VAL A 1 48 ? 31.551 -21.936 -50.944 0.40 45.06 ? 58 VAL A N 1 ? ? +383 ATOM N N B VAL A 1 48 ? 31.583 -21.947 -50.940 0.60 44.82 ? 58 VAL A N 1 ? ? +384 ATOM C CA A VAL A 1 48 ? 32.464 -22.777 -51.698 0.40 45.29 ? 58 VAL A CA 1 ? ? +385 ATOM C CA B VAL A 1 48 ? 32.500 -22.793 -51.688 0.60 44.98 ? 58 VAL A CA 1 ? ? +386 ATOM C C A VAL A 1 48 ? 31.863 -23.188 -53.039 0.40 45.31 ? 58 VAL A C 1 ? ? +387 ATOM C C B VAL A 1 48 ? 31.888 -23.209 -53.022 0.60 44.94 ? 58 VAL A C 1 ? ? +388 ATOM O O A VAL A 1 48 ? 30.683 -23.524 -53.125 0.40 45.03 ? 58 VAL A O 1 ? ? +389 ATOM O O B VAL A 1 48 ? 30.714 -23.577 -53.084 0.60 44.66 ? 58 VAL A O 1 ? ? +390 ATOM C CB A VAL A 1 48 ? 32.817 -24.019 -50.862 0.40 45.20 ? 58 VAL A CB 1 ? ? +391 ATOM C CB B VAL A 1 48 ? 32.846 -24.036 -50.847 0.60 44.87 ? 58 VAL A CB 1 ? ? +392 ATOM C CG1 A VAL A 1 48 ? 33.545 -25.059 -51.696 0.40 45.51 ? 58 VAL A CG1 1 ? ? +393 ATOM C CG1 B VAL A 1 48 ? 33.612 -25.070 -51.659 0.60 45.17 ? 58 VAL A CG1 1 ? ? +394 ATOM C CG2 A VAL A 1 48 ? 33.618 -23.635 -49.629 0.40 45.23 ? 58 VAL A CG2 1 ? ? +395 ATOM C CG2 B VAL A 1 48 ? 33.610 -23.647 -49.595 0.60 44.88 ? 58 VAL A CG2 1 ? ? +396 ATOM N N A ASP A 1 49 ? 32.699 -23.157 -54.078 0.40 45.63 ? 59 ASP A N 1 ? ? +397 ATOM N N B ASP A 1 49 ? 32.702 -23.172 -54.078 0.60 45.22 ? 59 ASP A N 1 ? ? +398 ATOM C CA A ASP A 1 49 ? 32.304 -23.541 -55.421 0.40 45.72 ? 59 ASP A CA 1 ? ? +399 ATOM C CA B ASP A 1 49 ? 32.270 -23.576 -55.403 0.60 45.26 ? 59 ASP A CA 1 ? ? +400 ATOM C C A ASP A 1 49 ? 32.401 -25.049 -55.626 0.40 45.69 ? 59 ASP A C 1 ? ? +401 ATOM C C B ASP A 1 49 ? 32.411 -25.083 -55.595 0.60 45.20 ? 59 ASP A C 1 ? ? +402 ATOM O O A ASP A 1 49 ? 33.228 -25.520 -56.406 0.40 46.02 ? 59 ASP A O 1 ? ? +403 ATOM O O B ASP A 1 49 ? 33.302 -25.546 -56.309 0.60 45.53 ? 59 ASP A O 1 ? ? +404 ATOM C CB A ASP A 1 49 ? 33.211 -22.843 -56.429 0.40 46.19 ? 59 ASP A CB 1 ? ? +405 ATOM C CB B ASP A 1 49 ? 33.070 -22.837 -56.474 0.60 45.70 ? 59 ASP A CB 1 ? ? +406 ATOM C CG A ASP A 1 49 ? 32.800 -23.039 -57.861 0.40 46.41 ? 59 ASP A CG 1 ? ? +407 ATOM C CG B ASP A 1 49 ? 32.481 -23.028 -57.849 0.60 45.85 ? 59 ASP A CG 1 ? ? +408 ATOM O OD1 A ASP A 1 49 ? 31.721 -23.623 -58.094 0.40 46.24 ? 59 ASP A OD1 1 ? ? +409 ATOM O OD1 B ASP A 1 49 ? 31.237 -22.900 -57.988 0.60 45.61 ? 59 ASP A OD1 1 ? ? +410 ATOM O OD2 A ASP A 1 49 ? 33.548 -22.600 -58.750 0.40 46.82 ? 59 ASP A OD2 1 ? ? +411 ATOM O OD2 B ASP A 1 49 ? 33.245 -23.285 -58.783 0.60 46.25 ? 59 ASP A OD2 1 ? ? +412 ATOM N N A ILE A 1 50 ? 31.532 -25.796 -54.941 0.40 45.26 ? 60 ILE A N 1 ? ? +413 ATOM N N B ILE A 1 50 ? 31.494 -25.832 -54.976 0.60 44.76 ? 60 ILE A N 1 ? ? +414 ATOM C CA A ILE A 1 50 ? 31.634 -27.244 -54.911 0.40 45.25 ? 60 ILE A CA 1 ? ? +415 ATOM C CA B ILE A 1 50 ? 31.570 -27.283 -54.934 0.60 44.72 ? 60 ILE A CA 1 ? ? +416 ATOM C C A ILE A 1 50 ? 31.749 -27.864 -56.301 0.40 45.52 ? 60 ILE A C 1 ? ? +417 ATOM C C B ILE A 1 50 ? 31.680 -27.937 -56.308 0.60 44.98 ? 60 ILE A C 1 ? ? +418 ATOM O O A ILE A 1 50 ? 32.613 -28.708 -56.533 0.40 45.81 ? 60 ILE A O 1 ? ? +419 ATOM O O B ILE A 1 50 ? 32.510 -28.823 -56.500 0.60 45.26 ? 60 ILE A O 1 ? ? +420 ATOM C CB A ILE A 1 50 ? 30.453 -27.857 -54.117 0.40 44.84 ? 60 ILE A CB 1 ? ? +421 ATOM C CB B ILE A 1 50 ? 30.379 -27.886 -54.140 0.60 44.29 ? 60 ILE A CB 1 ? ? +422 ATOM C CG1 A ILE A 1 50 ? 30.514 -29.390 -54.151 0.40 44.88 ? 60 ILE A CG1 1 ? ? +423 ATOM C CG1 B ILE A 1 50 ? 30.463 -29.420 -54.116 0.60 44.33 ? 60 ILE A CG1 1 ? ? +424 ATOM C CG2 A ILE A 1 50 ? 29.099 -27.339 -54.614 0.40 44.63 ? 60 ILE A CG2 1 ? ? +425 ATOM C CG2 B ILE A 1 50 ? 29.014 -27.418 -54.673 0.60 44.10 ? 60 ILE A CG2 1 ? ? +426 ATOM C CD1 A ILE A 1 50 ? 29.486 -30.057 -53.257 0.40 44.54 ? 60 ILE A CD1 1 ? ? +427 ATOM C CD1 B ILE A 1 50 ? 29.410 -30.074 -53.228 0.60 43.97 ? 60 ILE A CD1 1 ? ? +428 ATOM N N A ASP A 1 51 ? 30.889 -27.438 -57.232 0.40 45.46 ? 61 ASP A N 1 ? ? +429 ATOM N N B ASP A 1 51 ? 30.846 -27.505 -57.261 0.60 44.94 ? 61 ASP A N 1 ? ? +430 ATOM C CA A ASP A 1 51 ? 30.783 -28.117 -58.513 0.40 45.65 ? 61 ASP A CA 1 ? ? +431 ATOM C CA B ASP A 1 51 ? 30.760 -28.184 -58.544 0.60 45.14 ? 61 ASP A CA 1 ? ? +432 ATOM C C A ASP A 1 51 ? 31.577 -27.465 -59.638 0.40 46.03 ? 61 ASP A C 1 ? ? +433 ATOM C C B ASP A 1 51 ? 31.568 -27.530 -59.658 0.60 45.52 ? 61 ASP A C 1 ? ? +434 ATOM O O A ASP A 1 51 ? 31.379 -27.800 -60.803 0.40 46.24 ? 61 ASP A O 1 ? ? +435 ATOM O O B ASP A 1 51 ? 31.408 -27.893 -60.820 0.60 45.72 ? 61 ASP A O 1 ? ? +436 ATOM C CB A ASP A 1 51 ? 29.315 -28.243 -58.923 0.40 45.44 ? 61 ASP A CB 1 ? ? +437 ATOM C CB B ASP A 1 51 ? 29.293 -28.319 -58.963 0.60 44.93 ? 61 ASP A CB 1 ? ? +438 ATOM C CG A ASP A 1 51 ? 28.576 -29.210 -58.038 0.40 45.12 ? 61 ASP A CG 1 ? ? +439 ATOM C CG B ASP A 1 51 ? 28.537 -29.229 -58.037 0.60 44.61 ? 61 ASP A CG 1 ? ? +440 ATOM O OD1 A ASP A 1 51 ? 29.179 -30.244 -57.654 0.40 45.17 ? 61 ASP A OD1 1 ? ? +441 ATOM O OD1 B ASP A 1 51 ? 29.099 -30.293 -57.651 0.60 44.66 ? 61 ASP A OD1 1 ? ? +442 ATOM O OD2 A ASP A 1 51 ? 27.396 -28.945 -57.730 0.40 44.88 ? 61 ASP A OD2 1 ? ? +443 ATOM O OD2 B ASP A 1 51 ? 27.388 -28.890 -57.688 0.60 44.40 ? 61 ASP A OD2 1 ? ? +444 ATOM N N A GLY A 1 52 ? 32.475 -26.544 -59.274 0.40 46.15 ? 62 GLY A N 1 ? ? +445 ATOM N N B GLY A 1 52 ? 32.438 -26.582 -59.290 0.60 45.65 ? 62 GLY A N 1 ? ? +446 ATOM C CA A GLY A 1 52 ? 33.425 -25.977 -60.215 0.40 46.61 ? 62 GLY A CA 1 ? ? +447 ATOM C CA B GLY A 1 52 ? 33.401 -26.020 -60.219 0.60 46.11 ? 62 GLY A CA 1 ? ? +448 ATOM C C A GLY A 1 52 ? 32.789 -25.159 -61.333 0.40 46.72 ? 62 GLY A C 1 ? ? +449 ATOM C C B GLY A 1 52 ? 32.802 -25.156 -61.321 0.60 46.25 ? 62 GLY A C 1 ? ? +450 ATOM O O A GLY A 1 52 ? 33.340 -25.058 -62.424 0.40 47.14 ? 62 GLY A O 1 ? ? +451 ATOM O O B GLY A 1 52 ? 33.408 -24.982 -62.372 0.60 46.68 ? 62 GLY A O 1 ? ? +452 ATOM N N A ILE A 1 53 ? 31.624 -24.573 -61.050 0.40 46.41 ? 63 ILE A N 1 ? ? +453 ATOM N N B ILE A 1 53 ? 31.611 -24.605 -61.067 0.60 45.97 ? 63 ILE A N 1 ? ? +454 ATOM C CA A ILE A 1 53 ? 30.901 -23.811 -62.053 0.40 46.48 ? 63 ILE A CA 1 ? ? +455 ATOM C CA B ILE A 1 53 ? 30.894 -23.831 -62.068 0.60 46.05 ? 63 ILE A CA 1 ? ? +456 ATOM C C A ILE A 1 53 ? 30.716 -22.371 -61.588 0.40 46.40 ? 63 ILE A C 1 ? ? +457 ATOM C C B ILE A 1 53 ? 30.694 -22.396 -61.592 0.60 45.98 ? 63 ILE A C 1 ? ? +458 ATOM O O A ILE A 1 53 ? 29.848 -21.655 -62.081 0.40 46.38 ? 63 ILE A O 1 ? ? +459 ATOM O O B ILE A 1 53 ? 29.778 -21.710 -62.036 0.60 45.95 ? 63 ILE A O 1 ? ? +460 ATOM C CB A ILE A 1 53 ? 29.576 -24.498 -62.386 0.40 46.25 ? 63 ILE A CB 1 ? ? +461 ATOM C CB B ILE A 1 53 ? 29.576 -24.517 -62.426 0.60 45.82 ? 63 ILE A CB 1 ? ? +462 ATOM C CG1 A ILE A 1 53 ? 28.751 -24.775 -61.116 0.40 45.75 ? 63 ILE A CG1 1 ? ? +463 ATOM C CG1 B ILE A 1 53 ? 28.713 -24.800 -61.179 0.60 45.33 ? 63 ILE A CG1 1 ? ? +464 ATOM C CG2 A ILE A 1 53 ? 29.822 -25.771 -63.179 0.40 46.46 ? 63 ILE A CG2 1 ? ? +465 ATOM C CG2 B ILE A 1 53 ? 29.836 -25.784 -63.220 0.60 46.05 ? 63 ILE A CG2 1 ? ? +466 ATOM C CD1 A ILE A 1 53 ? 27.304 -25.086 -61.384 0.40 45.53 ? 63 ILE A CD1 1 ? ? +467 ATOM C CD1 B ILE A 1 53 ? 27.289 -25.133 -61.490 0.60 45.12 ? 63 ILE A CD1 1 ? ? +468 ATOM N N A ARG A 1 54 ? 31.571 -21.954 -60.651 0.40 46.39 ? 64 ARG A N 1 ? ? +469 ATOM N N B ARG A 1 54 ? 31.596 -21.941 -60.716 0.60 46.03 ? 64 ARG A N 1 ? ? +470 ATOM C CA A ARG A 1 54 ? 31.587 -20.583 -60.173 0.40 46.35 ? 64 ARG A CA 1 ? ? +471 ATOM C CA B ARG A 1 54 ? 31.581 -20.581 -60.208 0.60 46.00 ? 64 ARG A CA 1 ? ? +472 ATOM C C A ARG A 1 54 ? 30.210 -20.258 -59.608 0.40 45.93 ? 64 ARG A C 1 ? ? +473 ATOM C C B ARG A 1 54 ? 30.196 -20.257 -59.657 0.60 45.61 ? 64 ARG A C 1 ? ? +474 ATOM O O A ARG A 1 54 ? 29.672 -19.179 -59.843 0.40 45.98 ? 64 ARG A O 1 ? ? +475 ATOM O O B ARG A 1 54 ? 29.660 -19.181 -59.908 0.60 45.66 ? 64 ARG A O 1 ? ? +476 ATOM C CB A ARG A 1 54 ? 31.969 -19.620 -61.301 0.40 46.78 ? 64 ARG A CB 1 ? ? +477 ATOM C CB B ARG A 1 54 ? 31.990 -19.598 -61.309 0.60 46.42 ? 64 ARG A CB 1 ? ? +478 ATOM C CG A ARG A 1 54 ? 33.204 -20.045 -62.083 0.40 47.25 ? 64 ARG A CG 1 ? ? +479 ATOM C CG B ARG A 1 54 ? 33.211 -20.025 -62.099 0.60 46.87 ? 64 ARG A CG 1 ? ? +480 ATOM C CD A ARG A 1 54 ? 34.395 -20.311 -61.179 0.40 47.31 ? 64 ARG A CD 1 ? ? +481 ATOM C CD B ARG A 1 54 ? 34.400 -20.360 -61.205 0.60 46.94 ? 64 ARG A CD 1 ? ? +482 ATOM N NE A ARG A 1 54 ? 35.550 -20.792 -61.927 0.40 47.79 ? 64 ARG A NE 1 ? ? +483 ATOM N NE B ARG A 1 54 ? 35.545 -20.838 -61.972 0.60 47.41 ? 64 ARG A NE 1 ? ? +484 ATOM C CZ A ARG A 1 54 ? 36.230 -20.063 -62.799 0.40 48.28 ? 64 ARG A CZ 1 ? ? +485 ATOM C CZ B ARG A 1 54 ? 36.256 -20.098 -62.813 0.60 47.91 ? 64 ARG A CZ 1 ? ? +486 ATOM N NH1 A ARG A 1 54 ? 35.946 -18.789 -63.001 0.40 48.39 ? 64 ARG A NH1 1 ? ? +487 ATOM N NH1 B ARG A 1 54 ? 36.029 -18.806 -62.956 0.60 48.03 ? 64 ARG A NH1 1 ? ? +488 ATOM N NH2 A ARG A 1 54 ? 37.227 -20.621 -63.479 0.40 48.74 ? 64 ARG A NH2 1 ? ? +489 ATOM N NH2 B ARG A 1 54 ? 37.224 -20.668 -63.525 0.60 48.38 ? 64 ARG A NH2 1 ? ? +490 ATOM N N A GLU A 1 55 ? 29.657 -21.229 -58.874 0.40 45.58 ? 65 GLU A N 1 ? ? +491 ATOM N N B GLU A 1 55 ? 29.640 -21.218 -58.914 0.60 45.28 ? 65 GLU A N 1 ? ? +492 ATOM C CA A GLU A 1 55 ? 28.367 -21.098 -58.223 0.40 45.16 ? 65 GLU A CA 1 ? ? +493 ATOM C CA B GLU A 1 55 ? 28.346 -21.092 -58.271 0.60 44.89 ? 65 GLU A CA 1 ? ? +494 ATOM C C A GLU A 1 55 ? 28.523 -21.474 -56.756 0.40 44.85 ? 65 GLU A C 1 ? ? +495 ATOM C C B GLU A 1 55 ? 28.521 -21.482 -56.809 0.60 44.58 ? 65 GLU A C 1 ? ? +496 ATOM O O A GLU A 1 55 ? 28.206 -22.590 -56.356 0.40 44.66 ? 65 GLU A O 1 ? ? +497 ATOM O O B GLU A 1 55 ? 28.223 -22.608 -56.419 0.60 44.41 ? 65 GLU A O 1 ? ? +498 ATOM C CB A GLU A 1 55 ? 27.327 -22.004 -58.881 0.40 45.10 ? 65 GLU A CB 1 ? ? +499 ATOM C CB B GLU A 1 55 ? 27.320 -21.991 -58.951 0.60 44.83 ? 65 GLU A CB 1 ? ? +500 ATOM C CG A GLU A 1 55 ? 25.914 -21.774 -58.370 0.40 44.78 ? 65 GLU A CG 1 ? ? +501 ATOM C CG B GLU A 1 55 ? 25.893 -21.780 -58.470 0.60 44.54 ? 65 GLU A CG 1 ? ? +502 ATOM C CD A GLU A 1 55 ? 24.881 -22.685 -58.999 0.40 44.75 ? 65 GLU A CD 1 ? ? +503 ATOM C CD B GLU A 1 55 ? 24.930 -22.787 -59.056 0.60 44.52 ? 65 GLU A CD 1 ? ? +504 ATOM O OE1 A GLU A 1 55 ? 24.822 -22.740 -60.247 0.40 45.06 ? 65 GLU A OE1 1 ? ? +505 ATOM O OE1 B GLU A 1 55 ? 24.854 -22.872 -60.300 0.60 44.84 ? 65 GLU A OE1 1 ? ? +506 ATOM O OE2 A GLU A 1 55 ? 24.133 -23.347 -58.247 0.40 44.49 ? 65 GLU A OE2 1 ? ? +507 ATOM O OE2 B GLU A 1 55 ? 24.263 -23.506 -58.282 0.60 44.29 ? 65 GLU A OE2 1 ? ? +508 ATOM N N A PRO A 1 56 ? 29.038 -20.560 -55.909 0.40 44.84 ? 66 PRO A N 1 ? ? +509 ATOM N N B PRO A 1 56 ? 29.041 -20.575 -55.955 0.60 44.60 ? 66 PRO A N 1 ? ? +510 ATOM C CA A PRO A 1 56 ? 29.324 -20.888 -54.514 0.40 44.65 ? 66 PRO A CA 1 ? ? +511 ATOM C CA B PRO A 1 56 ? 29.356 -20.922 -54.570 0.60 44.43 ? 66 PRO A CA 1 ? ? +512 ATOM C C A PRO A 1 56 ? 28.093 -21.293 -53.708 0.40 44.28 ? 66 PRO A C 1 ? ? +513 ATOM C C B PRO A 1 56 ? 28.134 -21.332 -53.752 0.60 44.09 ? 66 PRO A C 1 ? ? +514 ATOM O O A PRO A 1 56 ? 27.053 -20.639 -53.765 0.40 44.13 ? 66 PRO A O 1 ? ? +515 ATOM O O B PRO A 1 56 ? 27.070 -20.731 -53.878 0.60 43.96 ? 66 PRO A O 1 ? ? +516 ATOM C CB A PRO A 1 56 ? 29.945 -19.598 -53.979 0.40 44.73 ? 66 PRO A CB 1 ? ? +517 ATOM C CB B PRO A 1 56 ? 29.986 -19.640 -54.032 0.60 44.52 ? 66 PRO A CB 1 ? ? +518 ATOM C CG A PRO A 1 56 ? 30.422 -18.865 -55.218 0.40 45.14 ? 66 PRO A CG 1 ? ? +519 ATOM C CG B PRO A 1 56 ? 30.421 -18.881 -55.263 0.60 44.92 ? 66 PRO A CG 1 ? ? +520 ATOM C CD A PRO A 1 56 ? 29.416 -19.184 -56.260 0.40 45.09 ? 66 PRO A CD 1 ? ? +521 ATOM C CD B PRO A 1 56 ? 29.393 -19.186 -56.282 0.60 44.84 ? 66 PRO A CD 1 ? ? +522 ATOM N N A VAL A 1 57 ? 28.248 -22.388 -52.959 0.40 44.18 ? 67 VAL A N 1 ? ? +523 ATOM N N B VAL A 1 57 ? 28.322 -22.366 -52.924 0.60 44.02 ? 67 VAL A N 1 ? ? +524 ATOM C CA A VAL A 1 57 ? 27.278 -22.813 -51.968 0.40 43.82 ? 67 VAL A CA 1 ? ? +525 ATOM C CA B VAL A 1 57 ? 27.331 -22.818 -51.964 0.60 43.67 ? 67 VAL A CA 1 ? ? +526 ATOM C C A VAL A 1 57 ? 27.747 -22.322 -50.601 0.40 43.73 ? 67 VAL A C 1 ? ? +527 ATOM C C B VAL A 1 57 ? 27.758 -22.374 -50.569 0.60 43.59 ? 67 VAL A C 1 ? ? +528 ATOM O O A VAL A 1 57 ? 28.931 -22.400 -50.279 0.40 43.91 ? 67 VAL A O 1 ? ? +529 ATOM O O B VAL A 1 57 ? 28.902 -22.581 -50.172 0.60 43.75 ? 67 VAL A O 1 ? ? +530 ATOM C CB A VAL A 1 57 ? 27.102 -24.345 -52.006 0.40 43.77 ? 67 VAL A CB 1 ? ? +531 ATOM C CB B VAL A 1 57 ? 27.172 -24.349 -52.039 0.60 43.62 ? 67 VAL A CB 1 ? ? +532 ATOM C CG1 A VAL A 1 57 ? 26.196 -24.833 -50.887 0.40 43.43 ? 67 VAL A CG1 1 ? ? +533 ATOM C CG1 B VAL A 1 57 ? 26.309 -24.881 -50.904 0.60 43.28 ? 67 VAL A CG1 1 ? ? +534 ATOM C CG2 A VAL A 1 57 ? 26.581 -24.796 -53.362 0.40 43.91 ? 67 VAL A CG2 1 ? ? +535 ATOM C CG2 B VAL A 1 57 ? 26.615 -24.771 -53.390 0.60 43.76 ? 67 VAL A CG2 1 ? ? +536 ATOM N N A SER A 1 58 ? 26.804 -21.792 -49.819 0.40 43.48 ? 68 SER A N 1 ? ? +537 ATOM N N B SER A 1 58 ? 26.818 -21.775 -49.832 0.60 43.35 ? 68 SER A N 1 ? ? +538 ATOM C CA A SER A 1 58 ? 27.090 -21.282 -48.492 0.40 43.39 ? 68 SER A CA 1 ? ? +539 ATOM C CA B SER A 1 58 ? 27.074 -21.277 -48.494 0.60 43.27 ? 68 SER A CA 1 ? ? +540 ATOM C C A SER A 1 58 ? 26.850 -22.374 -47.456 0.40 43.20 ? 68 SER A C 1 ? ? +541 ATOM C C B SER A 1 58 ? 26.834 -22.373 -47.462 0.60 43.08 ? 68 SER A C 1 ? ? +542 ATOM O O A SER A 1 58 ? 25.766 -22.940 -47.396 0.40 43.06 ? 68 SER A O 1 ? ? +543 ATOM O O B SER A 1 58 ? 25.744 -22.924 -47.396 0.60 42.96 ? 68 SER A O 1 ? ? +544 ATOM C CB A SER A 1 58 ? 26.231 -20.058 -48.207 0.40 43.29 ? 68 SER A CB 1 ? ? +545 ATOM C CB B SER A 1 58 ? 26.199 -20.064 -48.213 0.60 43.17 ? 68 SER A CB 1 ? ? +546 ATOM O OG A SER A 1 58 ? 26.258 -19.713 -46.833 0.40 43.19 ? 68 SER A OG 1 ? ? +547 ATOM O OG B SER A 1 58 ? 26.235 -19.707 -46.843 0.60 43.10 ? 68 SER A OG 1 ? ? +548 ATOM N N A GLY A 1 59 ? 27.868 -22.648 -46.636 0.40 43.31 ? 69 GLY A N 1 ? ? +549 ATOM N N B GLY A 1 59 ? 27.855 -22.661 -46.650 0.60 43.19 ? 69 GLY A N 1 ? ? +550 ATOM C CA A GLY A 1 59 ? 27.839 -23.762 -45.705 0.40 43.20 ? 69 GLY A CA 1 ? ? +551 ATOM C CA B GLY A 1 59 ? 27.835 -23.764 -45.707 0.60 43.08 ? 69 GLY A CA 1 ? ? +552 ATOM C C A GLY A 1 59 ? 27.910 -23.372 -44.231 0.40 43.13 ? 69 GLY A C 1 ? ? +553 ATOM C C B GLY A 1 59 ? 27.909 -23.370 -44.234 0.60 43.04 ? 69 GLY A C 1 ? ? +554 ATOM O O A GLY A 1 59 ? 27.563 -24.171 -43.366 0.40 43.01 ? 69 GLY A O 1 ? ? +555 ATOM O O B GLY A 1 59 ? 27.566 -24.168 -43.368 0.60 42.90 ? 69 GLY A O 1 ? ? +556 ATOM N N . SER A 1 60 ? 28.348 -22.143 -43.945 1.00 43.27 ? 70 SER A N 1 ? ? +557 ATOM C CA . SER A 1 60 ? 28.689 -21.751 -42.585 1.00 43.49 ? 70 SER A CA 1 ? ? +558 ATOM C CB . SER A 1 60 ? 30.021 -20.998 -42.545 1.00 43.80 ? 70 SER A CB 1 ? ? +559 ATOM O OG . SER A 1 60 ? 29.927 -19.695 -43.091 1.00 43.91 ? 70 SER A OG 1 ? ? +560 ATOM C C . SER A 1 60 ? 27.598 -20.932 -41.906 1.00 43.61 ? 70 SER A C 1 ? ? +561 ATOM O O . SER A 1 60 ? 26.782 -20.313 -42.571 1.00 43.65 ? 70 SER A O 1 ? ? +562 ATOM N N . LEU A 1 61 ? 27.608 -20.953 -40.570 1.00 43.93 ? 71 LEU A N 1 ? ? +563 ATOM C CA . LEU A 1 61 ? 26.573 -20.331 -39.762 1.00 43.98 ? 71 LEU A CA 1 ? ? +564 ATOM C CB . LEU A 1 61 ? 26.849 -20.598 -38.276 1.00 43.92 ? 71 LEU A CB 1 ? ? +565 ATOM C CG . LEU A 1 61 ? 26.731 -22.037 -37.816 1.00 43.83 ? 71 LEU A CG 1 ? ? +566 ATOM C CD1 . LEU A 1 61 ? 26.901 -22.148 -36.324 1.00 43.81 ? 71 LEU A CD1 1 ? ? +567 ATOM C CD2 . LEU A 1 61 ? 25.400 -22.618 -38.195 1.00 43.77 ? 71 LEU A CD2 1 ? ? +568 ATOM C C . LEU A 1 61 ? 26.496 -18.828 -40.009 1.00 44.41 ? 71 LEU A C 1 ? ? +569 ATOM O O . LEU A 1 61 ? 25.397 -18.284 -40.154 1.00 44.15 ? 71 LEU A O 1 ? ? +570 ATOM N N . LEU A 1 62 ? 27.670 -18.180 -40.090 1.00 44.85 ? 72 LEU A N 1 ? ? +571 ATOM C CA . LEU A 1 62 ? 27.728 -16.738 -40.261 1.00 45.15 ? 72 LEU A CA 1 ? ? +572 ATOM C CB . LEU A 1 62 ? 29.179 -16.215 -40.052 1.00 45.94 ? 72 LEU A CB 1 ? ? +573 ATOM C CG . LEU A 1 62 ? 29.638 -16.082 -38.596 1.00 46.44 ? 72 LEU A CG 1 ? ? +574 ATOM C CD1 . LEU A 1 62 ? 31.108 -15.631 -38.513 1.00 47.02 ? 72 LEU A CD1 1 ? ? +575 ATOM C CD2 . LEU A 1 62 ? 28.743 -15.091 -37.817 1.00 46.34 ? 72 LEU A CD2 1 ? ? +576 ATOM C C . LEU A 1 62 ? 27.236 -16.294 -41.635 1.00 44.91 ? 72 LEU A C 1 ? ? +577 ATOM O O . LEU A 1 62 ? 26.874 -15.136 -41.805 1.00 44.93 ? 72 LEU A O 1 ? ? +578 ATOM N N . TYR A 1 63 ? 27.257 -17.197 -42.619 1.00 44.83 ? 73 TYR A N 1 ? ? +579 ATOM C CA . TYR A 1 63 ? 26.760 -16.877 -43.946 1.00 44.88 ? 73 TYR A CA 1 ? ? +580 ATOM C CB . TYR A 1 63 ? 27.738 -17.356 -45.006 1.00 45.23 ? 73 TYR A CB 1 ? ? +581 ATOM C CG . TYR A 1 63 ? 29.014 -16.545 -45.073 1.00 45.89 ? 73 TYR A CG 1 ? ? +582 ATOM C CD1 . TYR A 1 63 ? 29.991 -16.661 -44.094 1.00 46.23 ? 73 TYR A CD1 1 ? ? +583 ATOM C CD2 . TYR A 1 63 ? 29.256 -15.683 -46.130 1.00 46.27 ? 73 TYR A CD2 1 ? ? +584 ATOM C CE1 . TYR A 1 63 ? 31.180 -15.936 -44.171 1.00 46.75 ? 73 TYR A CE1 1 ? ? +585 ATOM C CE2 . TYR A 1 63 ? 30.427 -14.939 -46.204 1.00 46.85 ? 73 TYR A CE2 1 ? ? +586 ATOM C CZ . TYR A 1 63 ? 31.388 -15.065 -45.225 1.00 47.16 ? 73 TYR A CZ 1 ? ? +587 ATOM O OH . TYR A 1 63 ? 32.549 -14.311 -45.329 1.00 48.17 ? 73 TYR A OH 1 ? ? +588 ATOM C C . TYR A 1 63 ? 25.363 -17.449 -44.198 1.00 44.51 ? 73 TYR A C 1 ? ? +589 ATOM O O . TYR A 1 63 ? 25.033 -17.809 -45.321 1.00 44.51 ? 73 TYR A O 1 ? ? +590 ATOM N N . GLY A 1 64 ? 24.546 -17.532 -43.148 1.00 44.23 ? 74 GLY A N 1 ? ? +591 ATOM C CA . GLY A 1 64 ? 23.114 -17.728 -43.321 1.00 44.06 ? 74 GLY A CA 1 ? ? +592 ATOM C C . GLY A 1 64 ? 22.661 -19.179 -43.205 1.00 43.91 ? 74 GLY A C 1 ? ? +593 ATOM O O . GLY A 1 64 ? 21.639 -19.566 -43.778 1.00 44.31 ? 74 GLY A O 1 ? ? +594 ATOM N N . ASN A 1 65 ? 23.403 -19.972 -42.434 1.00 43.57 ? 75 ASN A N 1 ? ? +595 ATOM C CA . ASN A 1 65 ? 23.032 -21.348 -42.179 1.00 43.23 ? 75 ASN A CA 1 ? ? +596 ATOM C CB . ASN A 1 65 ? 24.149 -22.296 -42.552 1.00 43.59 ? 75 ASN A CB 1 ? ? +597 ATOM C CG . ASN A 1 65 ? 24.223 -22.492 -44.025 1.00 43.82 ? 75 ASN A CG 1 ? ? +598 ATOM O OD1 . ASN A 1 65 ? 23.486 -23.281 -44.585 1.00 44.12 ? 75 ASN A OD1 1 ? ? +599 ATOM N ND2 . ASN A 1 65 ? 25.085 -21.778 -44.694 1.00 44.01 ? 75 ASN A ND2 1 ? ? +600 ATOM C C . ASN A 1 65 ? 22.680 -21.519 -40.714 1.00 42.74 ? 75 ASN A C 1 ? ? +601 ATOM O O . ASN A 1 65 ? 23.080 -20.726 -39.870 1.00 42.75 ? 75 ASN A O 1 ? ? +602 ATOM N N . ASN A 1 66 ? 21.896 -22.560 -40.450 1.00 42.17 ? 76 ASN A N 1 ? ? +603 ATOM C CA . ASN A 1 66 ? 21.663 -23.022 -39.101 1.00 41.73 ? 76 ASN A CA 1 ? ? +604 ATOM C CB . ASN A 1 66 ? 20.122 -23.067 -38.817 1.00 41.58 ? 76 ASN A CB 1 ? ? +605 ATOM C CG . ASN A 1 66 ? 19.345 -23.986 -39.692 1.00 41.61 ? 76 ASN A CG 1 ? ? +606 ATOM O OD1 . ASN A 1 66 ? 19.788 -25.067 -40.016 1.00 41.66 ? 76 ASN A OD1 1 ? ? +607 ATOM N ND2 . ASN A 1 66 ? 18.139 -23.603 -40.109 1.00 41.64 ? 76 ASN A ND2 1 ? ? +608 ATOM C C . ASN A 1 66 ? 22.360 -24.374 -38.949 1.00 41.43 ? 76 ASN A C 1 ? ? +609 ATOM O O . ASN A 1 66 ? 23.002 -24.859 -39.872 1.00 41.38 ? 76 ASN A O 1 ? ? +610 ATOM N N . ILE A 1 67 ? 22.168 -25.004 -37.791 1.00 41.18 ? 77 ILE A N 1 ? ? +611 ATOM C CA . ILE A 1 67 ? 22.750 -26.300 -37.499 1.00 41.19 ? 77 ILE A CA 1 ? ? +612 ATOM C CB . ILE A 1 67 ? 22.379 -26.712 -36.057 1.00 41.16 ? 77 ILE A CB 1 ? ? +613 ATOM C CG1 . ILE A 1 67 ? 23.003 -25.790 -35.009 1.00 41.20 ? 77 ILE A CG1 1 ? ? +614 ATOM C CG2 . ILE A 1 67 ? 22.761 -28.144 -35.781 1.00 41.35 ? 77 ILE A CG2 1 ? ? +615 ATOM C CD1 . ILE A 1 67 ? 24.392 -25.754 -35.029 1.00 41.44 ? 77 ILE A CD1 1 ? ? +616 ATOM C C . ILE A 1 67 ? 22.374 -27.393 -38.495 1.00 41.06 ? 77 ILE A C 1 ? ? +617 ATOM O O . ILE A 1 67 ? 23.198 -28.254 -38.797 1.00 41.23 ? 77 ILE A O 1 ? ? +618 ATOM N N . ILE A 1 68 ? 21.136 -27.357 -38.995 1.00 40.76 ? 78 ILE A N 1 ? ? +619 ATOM C CA . ILE A 1 68 ? 20.642 -28.369 -39.906 1.00 40.64 ? 78 ILE A CA 1 ? ? +620 ATOM C CB . ILE A 1 68 ? 19.071 -28.392 -39.903 1.00 40.48 ? 78 ILE A CB 1 ? ? +621 ATOM C CG1 . ILE A 1 68 ? 18.509 -28.638 -38.493 1.00 40.43 ? 78 ILE A CG1 1 ? ? +622 ATOM C CG2 . ILE A 1 68 ? 18.546 -29.405 -40.913 1.00 40.50 ? 78 ILE A CG2 1 ? ? +623 ATOM C CD1 . ILE A 1 68 ? 18.915 -29.862 -37.860 1.00 40.55 ? 78 ILE A CD1 1 ? ? +624 ATOM C C . ILE A 1 68 ? 21.125 -28.187 -41.343 1.00 40.67 ? 78 ILE A C 1 ? ? +625 ATOM O O . ILE A 1 68 ? 21.364 -29.173 -42.022 1.00 40.75 ? 78 ILE A O 1 ? ? +626 ATOM N N A THR A 1 69 ? 21.215 -26.935 -41.811 0.40 40.64 ? 79 THR A N 1 ? ? +627 ATOM N N B THR A 1 69 ? 21.195 -26.934 -41.812 0.60 40.63 ? 79 THR A N 1 ? ? +628 ATOM C CA A THR A 1 69 ? 21.561 -26.653 -43.197 0.40 40.75 ? 79 THR A CA 1 ? ? +629 ATOM C CA B THR A 1 69 ? 21.540 -26.645 -43.196 0.60 40.75 ? 79 THR A CA 1 ? ? +630 ATOM C C A THR A 1 69 ? 23.072 -26.503 -43.368 0.40 40.94 ? 79 THR A C 1 ? ? +631 ATOM C C B THR A 1 69 ? 23.049 -26.494 -43.374 0.60 40.95 ? 79 THR A C 1 ? ? +632 ATOM O O A THR A 1 69 ? 23.610 -26.740 -44.448 0.40 41.15 ? 79 THR A O 1 ? ? +633 ATOM O O B THR A 1 69 ? 23.569 -26.724 -44.465 0.60 41.17 ? 79 THR A O 1 ? ? +634 ATOM C CB A THR A 1 69 ? 20.819 -25.406 -43.706 0.40 40.67 ? 79 THR A CB 1 ? ? +635 ATOM C CB B THR A 1 69 ? 20.803 -25.398 -43.704 0.60 40.68 ? 79 THR A CB 1 ? ? +636 ATOM O OG1 A THR A 1 69 ? 21.350 -24.238 -43.078 0.40 40.64 ? 79 THR A OG1 1 ? ? +637 ATOM O OG1 B THR A 1 69 ? 21.335 -24.223 -43.084 0.60 40.64 ? 79 THR A OG1 1 ? ? +638 ATOM C CG2 A THR A 1 69 ? 19.297 -25.488 -43.466 0.40 40.52 ? 79 THR A CG2 1 ? ? +639 ATOM C CG2 B THR A 1 69 ? 19.274 -25.483 -43.463 0.60 40.52 ? 79 THR A CG2 1 ? ? +640 ATOM N N A GLY A 1 70 ? 23.755 -26.121 -42.289 0.40 40.92 ? 80 GLY A N 1 ? ? +641 ATOM N N B GLY A 1 70 ? 23.744 -26.122 -42.297 0.60 40.92 ? 80 GLY A N 1 ? ? +642 ATOM C CA A GLY A 1 70 ? 25.183 -25.856 -42.354 0.40 41.13 ? 80 GLY A CA 1 ? ? +643 ATOM C CA B GLY A 1 70 ? 25.172 -25.861 -42.367 0.60 41.14 ? 80 GLY A CA 1 ? ? +644 ATOM C C A GLY A 1 70 ? 25.994 -27.073 -42.781 0.40 41.32 ? 80 GLY A C 1 ? ? +645 ATOM C C B GLY A 1 70 ? 25.992 -27.084 -42.761 0.60 41.31 ? 80 GLY A C 1 ? ? +646 ATOM O O A GLY A 1 70 ? 25.612 -28.208 -42.511 0.40 41.31 ? 80 GLY A O 1 ? ? +647 ATOM O O B GLY A 1 70 ? 25.600 -28.215 -42.485 0.60 41.33 ? 80 GLY A O 1 ? ? +648 ATOM N N A ALA A 1 71 ? 27.114 -26.811 -43.457 0.40 41.56 ? 81 ALA A N 1 ? ? +649 ATOM N N B ALA A 1 71 ? 27.129 -26.832 -43.413 0.60 41.55 ? 81 ALA A N 1 ? ? +650 ATOM C CA A ALA A 1 71 ? 28.060 -27.850 -43.832 0.40 41.79 ? 81 ALA A CA 1 ? ? +651 ATOM C CA B ALA A 1 71 ? 28.077 -27.876 -43.770 0.60 41.76 ? 81 ALA A CA 1 ? ? +652 ATOM C C A ALA A 1 71 ? 29.417 -27.253 -44.175 0.40 42.06 ? 81 ALA A C 1 ? ? +653 ATOM C C B ALA A 1 71 ? 29.465 -27.296 -44.006 0.60 42.02 ? 81 ALA A C 1 ? ? +654 ATOM O O A ALA A 1 71 ? 29.495 -26.112 -44.621 0.40 42.08 ? 81 ALA A O 1 ? ? +655 ATOM O O B ALA A 1 71 ? 29.608 -26.100 -44.227 0.60 42.04 ? 81 ALA A O 1 ? ? +656 ATOM C CB A ALA A 1 71 ? 27.559 -28.617 -45.031 0.40 41.83 ? 81 ALA A CB 1 ? ? +657 ATOM C CB B ALA A 1 71 ? 27.629 -28.591 -45.022 0.60 41.81 ? 81 ALA A CB 1 ? ? +658 ATOM N N A VAL A 1 72 ? 30.470 -28.052 -43.985 0.40 42.30 ? 82 VAL A N 1 ? ? +659 ATOM N N B VAL A 1 72 ? 30.480 -28.162 -43.965 0.60 42.25 ? 82 VAL A N 1 ? ? +660 ATOM C CA A VAL A 1 72 ? 31.729 -27.796 -44.657 0.40 42.66 ? 82 VAL A CA 1 ? ? +661 ATOM C CA B VAL A 1 72 ? 31.730 -27.873 -44.642 0.60 42.62 ? 82 VAL A CA 1 ? ? +662 ATOM C C A VAL A 1 72 ? 31.594 -28.406 -46.047 0.40 42.77 ? 82 VAL A C 1 ? ? +663 ATOM C C B VAL A 1 72 ? 31.582 -28.468 -46.038 0.60 42.72 ? 82 VAL A C 1 ? ? +664 ATOM O O A VAL A 1 72 ? 31.335 -29.597 -46.183 0.40 42.77 ? 82 VAL A O 1 ? ? +665 ATOM O O B VAL A 1 72 ? 31.365 -29.667 -46.184 0.60 42.73 ? 82 VAL A O 1 ? ? +666 ATOM C CB A VAL A 1 72 ? 32.932 -28.349 -43.899 0.40 42.93 ? 82 VAL A CB 1 ? ? +667 ATOM C CB B VAL A 1 72 ? 32.954 -28.395 -43.894 0.60 42.89 ? 82 VAL A CB 1 ? ? +668 ATOM C CG1 A VAL A 1 72 ? 34.210 -28.091 -44.674 0.40 43.33 ? 82 VAL A CG1 1 ? ? +669 ATOM C CG1 B VAL A 1 72 ? 34.217 -28.137 -44.691 0.60 43.29 ? 82 VAL A CG1 1 ? ? +670 ATOM C CG2 A VAL A 1 72 ? 33.004 -27.769 -42.489 0.40 42.84 ? 82 VAL A CG2 1 ? ? +671 ATOM C CG2 B VAL A 1 72 ? 33.039 -27.780 -42.496 0.60 42.80 ? 82 VAL A CG2 1 ? ? +672 ATOM N N A VAL A 1 73 ? 31.750 -27.568 -47.074 0.40 42.89 ? 83 VAL A N 1 ? ? +673 ATOM N N B VAL A 1 73 ? 31.677 -27.606 -47.054 0.60 42.83 ? 83 VAL A N 1 ? ? +674 ATOM C CA A VAL A 1 73 ? 31.411 -27.945 -48.435 0.40 42.97 ? 83 VAL A CA 1 ? ? +675 ATOM C CA B VAL A 1 73 ? 31.368 -27.975 -48.423 0.60 42.93 ? 83 VAL A CA 1 ? ? +676 ATOM C C A VAL A 1 73 ? 32.573 -28.606 -49.172 0.40 43.39 ? 83 VAL A C 1 ? ? +677 ATOM C C B VAL A 1 73 ? 32.546 -28.684 -49.088 0.60 43.33 ? 83 VAL A C 1 ? ? +678 ATOM O O A VAL A 1 73 ? 33.690 -28.086 -49.191 0.40 43.71 ? 83 VAL A O 1 ? ? +679 ATOM O O B VAL A 1 73 ? 33.696 -28.255 -48.953 0.60 43.67 ? 83 VAL A O 1 ? ? +680 ATOM C CB A VAL A 1 73 ? 30.933 -26.697 -49.193 0.40 42.95 ? 83 VAL A CB 1 ? ? +681 ATOM C CB B VAL A 1 73 ? 30.970 -26.709 -49.199 0.60 42.94 ? 83 VAL A CB 1 ? ? +682 ATOM C CG1 A VAL A 1 73 ? 30.621 -27.029 -50.645 0.40 43.08 ? 83 VAL A CG1 1 ? ? +683 ATOM C CG1 B VAL A 1 73 ? 30.682 -27.021 -50.663 0.60 43.09 ? 83 VAL A CG1 1 ? ? +684 ATOM C CG2 A VAL A 1 73 ? 29.731 -26.057 -48.498 0.40 42.58 ? 83 VAL A CG2 1 ? ? +685 ATOM C CG2 B VAL A 1 73 ? 29.775 -26.017 -48.545 0.60 42.58 ? 83 VAL A CG2 1 ? ? +686 ATOM N N A PRO A 1 74 ? 32.348 -29.781 -49.801 0.40 43.41 ? 84 PRO A N 1 ? ? +687 ATOM N N B PRO A 1 74 ? 32.307 -29.800 -49.816 0.60 43.35 ? 84 PRO A N 1 ? ? +688 ATOM C CA A PRO A 1 74 ? 33.393 -30.455 -50.570 0.40 43.76 ? 84 PRO A CA 1 ? ? +689 ATOM C CA B PRO A 1 74 ? 33.365 -30.469 -50.574 0.60 43.70 ? 84 PRO A CA 1 ? ? +690 ATOM C C A PRO A 1 74 ? 34.129 -29.523 -51.527 0.40 44.03 ? 84 PRO A C 1 ? ? +691 ATOM C C B PRO A 1 74 ? 34.115 -29.544 -51.528 0.60 43.95 ? 84 PRO A C 1 ? ? +692 ATOM O O A PRO A 1 74 ? 33.571 -28.533 -51.999 0.40 43.94 ? 84 PRO A O 1 ? ? +693 ATOM O O B PRO A 1 74 ? 33.572 -28.543 -51.995 0.60 43.87 ? 84 PRO A O 1 ? ? +694 ATOM C CB A PRO A 1 74 ? 32.612 -31.536 -51.317 0.40 43.72 ? 84 PRO A CB 1 ? ? +695 ATOM C CB B PRO A 1 74 ? 32.601 -31.560 -51.323 0.60 43.66 ? 84 PRO A CB 1 ? ? +696 ATOM C CG A PRO A 1 74 ? 31.469 -31.855 -50.392 0.40 43.35 ? 84 PRO A CG 1 ? ? +697 ATOM C CG B PRO A 1 74 ? 31.421 -31.847 -50.439 0.60 43.27 ? 84 PRO A CG 1 ? ? +698 ATOM C CD A PRO A 1 74 ? 31.089 -30.543 -49.762 0.40 43.12 ? 84 PRO A CD 1 ? ? +699 ATOM C CD B PRO A 1 74 ? 31.028 -30.524 -49.877 0.60 43.06 ? 84 PRO A CD 1 ? ? +700 ATOM N N A SER A 1 75 ? 35.386 -29.871 -51.814 0.40 44.37 ? 85 SER A N 1 ? ? +701 ATOM N N B SER A 1 75 ? 35.368 -29.906 -51.821 0.60 44.27 ? 85 SER A N 1 ? ? +702 ATOM C CA A SER A 1 75 ? 36.228 -29.077 -52.688 0.40 44.68 ? 85 SER A CA 1 ? ? +703 ATOM C CA B SER A 1 75 ? 36.217 -29.100 -52.675 0.60 44.57 ? 85 SER A CA 1 ? ? +704 ATOM C C A SER A 1 75 ? 35.691 -29.071 -54.117 0.40 44.70 ? 85 SER A C 1 ? ? +705 ATOM C C B SER A 1 75 ? 35.705 -29.104 -54.113 0.60 44.60 ? 85 SER A C 1 ? ? +706 ATOM O O A SER A 1 75 ? 34.908 -29.937 -54.494 0.40 44.56 ? 85 SER A O 1 ? ? +707 ATOM O O B SER A 1 75 ? 34.950 -29.988 -54.503 0.60 44.48 ? 85 SER A O 1 ? ? +708 ATOM C CB A SER A 1 75 ? 37.672 -29.587 -52.643 0.40 45.14 ? 85 SER A CB 1 ? ? +709 ATOM C CB B SER A 1 75 ? 37.671 -29.585 -52.599 0.60 45.03 ? 85 SER A CB 1 ? ? +710 ATOM O OG A SER A 1 75 ? 37.794 -30.941 -53.047 0.40 45.27 ? 85 SER A OG 1 ? ? +711 ATOM O OG B SER A 1 75 ? 37.822 -30.954 -52.932 0.60 45.17 ? 85 SER A OG 1 ? ? +712 ATOM N N A SER A 1 76 ? 36.150 -28.084 -54.896 0.40 44.91 ? 86 SER A N 1 ? ? +713 ATOM N N B SER A 1 76 ? 36.137 -28.096 -54.879 0.60 44.80 ? 86 SER A N 1 ? ? +714 ATOM C CA A SER A 1 76 ? 35.671 -27.803 -56.242 0.40 44.96 ? 86 SER A CA 1 ? ? +715 ATOM C CA B SER A 1 76 ? 35.666 -27.837 -56.231 0.60 44.86 ? 86 SER A CA 1 ? ? +716 ATOM C C A SER A 1 76 ? 35.910 -28.917 -57.257 0.40 45.20 ? 86 SER A C 1 ? ? +717 ATOM C C B SER A 1 76 ? 35.879 -29.013 -57.180 0.60 45.06 ? 86 SER A C 1 ? ? +718 ATOM O O A SER A 1 76 ? 37.022 -29.437 -57.382 0.40 45.55 ? 86 SER A O 1 ? ? +719 ATOM O O B SER A 1 76 ? 36.902 -29.703 -57.116 0.60 45.37 ? 86 SER A O 1 ? ? +720 ATOM C CB A SER A 1 76 ? 36.338 -26.529 -56.769 0.40 45.27 ? 86 SER A CB 1 ? ? +721 ATOM C CB B SER A 1 76 ? 36.363 -26.593 -56.797 0.60 45.17 ? 86 SER A CB 1 ? ? +722 ATOM O OG A SER A 1 76 ? 36.043 -26.267 -58.135 0.40 45.45 ? 86 SER A OG 1 ? ? +723 ATOM O OG B SER A 1 76 ? 36.038 -26.317 -58.154 0.60 45.34 ? 86 SER A OG 1 ? ? +724 ATOM N N A ASN A 1 77 ? 34.852 -29.237 -58.012 0.40 44.99 ? 87 ASN A N 1 ? ? +725 ATOM N N B ASN A 1 77 ? 34.894 -29.216 -58.069 0.60 44.88 ? 87 ASN A N 1 ? ? +726 ATOM C CA A ASN A 1 77 ? 34.933 -30.229 -59.072 0.40 45.19 ? 87 ASN A CA 1 ? ? +727 ATOM C CA B ASN A 1 77 ? 34.990 -30.213 -59.123 0.60 45.08 ? 87 ASN A CA 1 ? ? +728 ATOM C C A ASN A 1 77 ? 36.086 -29.928 -60.026 0.40 45.71 ? 87 ASN A C 1 ? ? +729 ATOM C C B ASN A 1 77 ? 36.133 -29.910 -60.090 0.60 45.59 ? 87 ASN A C 1 ? ? +730 ATOM O O A ASN A 1 77 ? 36.568 -30.818 -60.721 0.40 45.99 ? 87 ASN A O 1 ? ? +731 ATOM O O B ASN A 1 77 ? 36.631 -30.807 -60.765 0.60 45.87 ? 87 ASN A O 1 ? ? +732 ATOM C CB A ASN A 1 77 ? 33.619 -30.299 -59.857 0.40 44.95 ? 87 ASN A CB 1 ? ? +733 ATOM C CB B ASN A 1 77 ? 33.667 -30.307 -59.895 0.60 44.84 ? 87 ASN A CB 1 ? ? +734 ATOM C CG A ASN A 1 77 ? 33.599 -31.385 -60.899 0.40 45.17 ? 87 ASN A CG 1 ? ? +735 ATOM C CG B ASN A 1 77 ? 33.592 -31.468 -60.846 0.60 45.01 ? 87 ASN A CG 1 ? ? +736 ATOM O OD1 A ASN A 1 77 ? 33.761 -32.561 -60.605 0.40 45.15 ? 87 ASN A OD1 1 ? ? +737 ATOM O OD1 B ASN A 1 77 ? 33.811 -32.609 -60.472 0.60 45.01 ? 87 ASN A OD1 1 ? ? +738 ATOM N ND2 A ASN A 1 77 ? 33.395 -31.025 -62.143 0.40 45.38 ? 87 ASN A ND2 1 ? ? +739 ATOM N ND2 B ASN A 1 77 ? 33.282 -31.220 -62.099 0.60 45.20 ? 87 ASN A ND2 1 ? ? +740 ATOM N N A ALA A 1 78 ? 36.493 -28.658 -60.081 0.40 45.85 ? 88 ALA A N 1 ? ? +741 ATOM N N B ALA A 1 78 ? 36.512 -28.632 -60.180 0.60 45.71 ? 88 ALA A N 1 ? ? +742 ATOM C CA A ALA A 1 78 ? 37.571 -28.250 -60.965 0.40 46.39 ? 88 ALA A CA 1 ? ? +743 ATOM C CA B ALA A 1 78 ? 37.617 -28.220 -61.030 0.60 46.25 ? 88 ALA A CA 1 ? ? +744 ATOM C C A ALA A 1 78 ? 38.876 -28.909 -60.529 0.40 46.71 ? 88 ALA A C 1 ? ? +745 ATOM C C B ALA A 1 78 ? 38.935 -28.845 -60.574 0.60 46.58 ? 88 ALA A C 1 ? ? +746 ATOM O O A ALA A 1 78 ? 39.719 -29.211 -61.363 0.40 47.20 ? 88 ALA A O 1 ? ? +747 ATOM O O B ALA A 1 78 ? 39.820 -29.044 -61.392 0.60 47.07 ? 88 ALA A O 1 ? ? +748 ATOM C CB A ALA A 1 78 ? 37.711 -26.740 -60.978 0.40 46.46 ? 88 ALA A CB 1 ? ? +749 ATOM C CB B ALA A 1 78 ? 37.726 -26.709 -61.047 0.60 46.31 ? 88 ALA A CB 1 ? ? +750 ATOM N N A ILE A 1 79 ? 39.008 -29.137 -59.218 0.40 46.50 ? 89 ILE A N 1 ? ? +751 ATOM N N B ILE A 1 79 ? 39.037 -29.144 -59.273 0.60 46.35 ? 89 ILE A N 1 ? ? +752 ATOM C CA A ILE A 1 79 ? 40.187 -29.744 -58.626 0.40 46.81 ? 89 ILE A CA 1 ? ? +753 ATOM C CA B ILE A 1 79 ? 40.200 -29.784 -58.680 0.60 46.66 ? 89 ILE A CA 1 ? ? +754 ATOM C C A ILE A 1 79 ? 40.201 -31.266 -58.753 0.40 46.88 ? 89 ILE A C 1 ? ? +755 ATOM C C B ILE A 1 79 ? 40.205 -31.304 -58.853 0.60 46.74 ? 89 ILE A C 1 ? ? +756 ATOM O O A ILE A 1 79 ? 41.260 -31.890 -58.691 0.40 47.24 ? 89 ILE A O 1 ? ? +757 ATOM O O B ILE A 1 79 ? 41.269 -31.924 -58.931 0.60 47.13 ? 89 ILE A O 1 ? ? +758 ATOM C CB A ILE A 1 79 ? 40.262 -29.326 -57.149 0.40 46.55 ? 89 ILE A CB 1 ? ? +759 ATOM C CB B ILE A 1 79 ? 40.266 -29.397 -57.189 0.60 46.40 ? 89 ILE A CB 1 ? ? +760 ATOM C CG1 A ILE A 1 79 ? 40.617 -27.841 -57.012 0.40 46.66 ? 89 ILE A CG1 1 ? ? +761 ATOM C CG1 B ILE A 1 79 ? 40.627 -27.919 -57.029 0.60 46.51 ? 89 ILE A CG1 1 ? ? +762 ATOM C CG2 A ILE A 1 79 ? 41.244 -30.206 -56.385 0.40 46.78 ? 89 ILE A CG2 1 ? ? +763 ATOM C CG2 B ILE A 1 79 ? 41.240 -30.286 -56.418 0.60 46.64 ? 89 ILE A CG2 1 ? ? +764 ATOM C CD1 A ILE A 1 79 ? 40.496 -27.328 -55.593 0.40 46.36 ? 89 ILE A CD1 1 ? ? +765 ATOM C CD1 B ILE A 1 79 ? 40.444 -27.391 -55.601 0.60 46.20 ? 89 ILE A CD1 1 ? ? +766 ATOM N N A GLY A 1 80 ? 39.009 -31.853 -58.928 0.40 46.55 ? 90 GLY A N 1 ? ? +767 ATOM N N B GLY A 1 80 ? 39.003 -31.898 -58.900 0.60 46.39 ? 90 GLY A N 1 ? ? +768 ATOM C CA A GLY A 1 80 ? 38.864 -33.296 -59.009 0.40 46.60 ? 90 GLY A CA 1 ? ? +769 ATOM C CA B GLY A 1 80 ? 38.862 -33.338 -59.009 0.60 46.44 ? 90 GLY A CA 1 ? ? +770 ATOM C C A GLY A 1 80 ? 39.515 -34.016 -57.832 0.40 46.67 ? 90 GLY A C 1 ? ? +771 ATOM C C B GLY A 1 80 ? 39.530 -34.068 -57.847 0.60 46.52 ? 90 GLY A C 1 ? ? +772 ATOM O O A GLY A 1 80 ? 39.114 -33.820 -56.688 0.40 46.34 ? 90 GLY A O 1 ? ? +773 ATOM O O B GLY A 1 80 ? 39.152 -33.868 -56.697 0.60 46.19 ? 90 GLY A O 1 ? ? +774 ATOM N N A LEU A 1 81 ? 40.521 -34.847 -58.133 0.40 47.16 ? 91 LEU A N 1 ? ? +775 ATOM N N B LEU A 1 81 ? 40.525 -34.907 -58.163 0.60 47.02 ? 91 LEU A N 1 ? ? +776 ATOM C CA A LEU A 1 81 ? 41.247 -35.608 -57.128 0.40 47.32 ? 91 LEU A CA 1 ? ? +777 ATOM C CA B LEU A 1 81 ? 41.268 -35.663 -57.167 0.60 47.19 ? 91 LEU A CA 1 ? ? +778 ATOM C C A LEU A 1 81 ? 42.661 -35.065 -56.903 0.40 47.81 ? 91 LEU A C 1 ? ? +779 ATOM C C B LEU A 1 81 ? 42.672 -35.096 -56.925 0.60 47.68 ? 91 LEU A C 1 ? ? +780 ATOM O O A LEU A 1 81 ? 43.499 -35.731 -56.297 0.40 48.04 ? 91 LEU A O 1 ? ? +781 ATOM O O B LEU A 1 81 ? 43.491 -35.730 -56.258 0.60 47.90 ? 91 LEU A O 1 ? ? +782 ATOM C CB A LEU A 1 81 ? 41.354 -37.078 -57.564 0.40 47.55 ? 91 LEU A CB 1 ? ? +783 ATOM C CB B LEU A 1 81 ? 41.402 -37.136 -57.606 0.60 47.43 ? 91 LEU A CB 1 ? ? +784 ATOM C CG A LEU A 1 81 ? 40.068 -37.878 -57.637 0.40 47.18 ? 91 LEU A CG 1 ? ? +785 ATOM C CG B LEU A 1 81 ? 40.136 -37.969 -57.674 0.60 47.07 ? 91 LEU A CG 1 ? ? +786 ATOM C CD1 A LEU A 1 81 ? 40.317 -39.240 -58.227 0.40 47.50 ? 91 LEU A CD1 1 ? ? +787 ATOM C CD1 B LEU A 1 81 ? 40.433 -39.368 -58.151 0.60 47.39 ? 91 LEU A CD1 1 ? ? +788 ATOM C CD2 A LEU A 1 81 ? 39.454 -38.037 -56.285 0.40 46.76 ? 91 LEU A CD2 1 ? ? +789 ATOM C CD2 B LEU A 1 81 ? 39.477 -38.045 -56.352 0.60 46.63 ? 91 LEU A CD2 1 ? ? +790 ATOM N N A HIS A 1 82 ? 42.920 -33.856 -57.416 0.40 47.98 ? 92 HIS A N 1 ? ? +791 ATOM N N B HIS A 1 82 ? 42.945 -33.903 -57.471 0.60 47.85 ? 92 HIS A N 1 ? ? +792 ATOM C CA A HIS A 1 82 ? 44.178 -33.169 -57.184 0.40 48.42 ? 92 HIS A CA 1 ? ? +793 ATOM C CA B HIS A 1 82 ? 44.188 -33.204 -57.200 0.60 48.27 ? 92 HIS A CA 1 ? ? +794 ATOM C C A HIS A 1 82 ? 44.301 -32.767 -55.719 0.40 48.29 ? 92 HIS A C 1 ? ? +795 ATOM C C B HIS A 1 82 ? 44.292 -32.838 -55.724 0.60 48.15 ? 92 HIS A C 1 ? ? +796 ATOM O O A HIS A 1 82 ? 43.335 -32.314 -55.108 0.40 47.81 ? 92 HIS A O 1 ? ? +797 ATOM O O B HIS A 1 82 ? 43.291 -32.525 -55.077 0.60 47.66 ? 92 HIS A O 1 ? ? +798 ATOM C CB A HIS A 1 82 ? 44.305 -31.935 -58.069 0.40 48.56 ? 92 HIS A CB 1 ? ? +799 ATOM C CB B HIS A 1 82 ? 44.327 -31.948 -58.050 0.60 48.39 ? 92 HIS A CB 1 ? ? +800 ATOM C CG A HIS A 1 82 ? 44.703 -32.233 -59.482 0.40 49.00 ? 92 HIS A CG 1 ? ? +801 ATOM C CG B HIS A 1 82 ? 44.707 -32.216 -59.471 0.60 48.80 ? 92 HIS A CG 1 ? ? +802 ATOM N ND1 A HIS A 1 82 ? 45.849 -31.687 -60.042 0.40 49.57 ? 92 HIS A ND1 1 ? ? +803 ATOM N ND1 B HIS A 1 82 ? 45.868 -31.687 -60.023 0.60 49.39 ? 92 HIS A ND1 1 ? ? +804 ATOM C CD2 A HIS A 1 82 ? 44.102 -33.011 -60.402 0.40 48.96 ? 92 HIS A CD2 1 ? ? +805 ATOM C CD2 B HIS A 1 82 ? 44.084 -32.956 -60.403 0.60 48.76 ? 92 HIS A CD2 1 ? ? +806 ATOM C CE1 A HIS A 1 82 ? 45.905 -32.144 -61.282 0.40 49.87 ? 92 HIS A CE1 1 ? ? +807 ATOM C CE1 B HIS A 1 82 ? 45.906 -32.111 -61.273 0.60 49.67 ? 92 HIS A CE1 1 ? ? +808 ATOM N NE2 A HIS A 1 82 ? 44.870 -32.948 -61.544 0.40 49.52 ? 92 HIS A NE2 1 ? ? +809 ATOM N NE2 B HIS A 1 82 ? 44.850 -32.880 -61.548 0.60 49.32 ? 92 HIS A NE2 1 ? ? +810 ATOM N N A PHE A 1 83 ? 45.506 -32.951 -55.172 0.40 48.80 ? 93 PHE A N 1 ? ? +811 ATOM N N B PHE A 1 83 ? 45.523 -32.907 -55.207 0.60 48.68 ? 93 PHE A N 1 ? ? +812 ATOM C CA A PHE A 1 83 ? 45.800 -32.612 -53.793 0.40 48.77 ? 93 PHE A CA 1 ? ? +813 ATOM C CA B PHE A 1 83 ? 45.815 -32.595 -53.822 0.60 48.66 ? 93 PHE A CA 1 ? ? +814 ATOM C C A PHE A 1 83 ? 45.840 -31.093 -53.649 0.40 48.68 ? 93 PHE A C 1 ? ? +815 ATOM C C B PHE A 1 83 ? 45.857 -31.078 -53.666 0.60 48.59 ? 93 PHE A C 1 ? ? +816 ATOM O O A PHE A 1 83 ? 46.487 -30.399 -54.431 0.40 49.03 ? 93 PHE A O 1 ? ? +817 ATOM O O B PHE A 1 83 ? 46.514 -30.383 -54.440 0.60 48.93 ? 93 PHE A O 1 ? ? +818 ATOM C CB A PHE A 1 83 ? 47.117 -33.269 -53.398 0.40 49.42 ? 93 PHE A CB 1 ? ? +819 ATOM C CB B PHE A 1 83 ? 47.129 -33.251 -53.433 0.60 49.33 ? 93 PHE A CB 1 ? ? +820 ATOM C CG A PHE A 1 83 ? 47.503 -33.192 -51.948 0.40 49.51 ? 93 PHE A CG 1 ? ? +821 ATOM C CG B PHE A 1 83 ? 47.515 -33.182 -51.983 0.60 49.43 ? 93 PHE A CG 1 ? ? +822 ATOM C CD1 A PHE A 1 83 ? 46.694 -33.737 -50.972 0.40 49.09 ? 93 PHE A CD1 1 ? ? +823 ATOM C CD1 B PHE A 1 83 ? 46.708 -33.736 -51.011 0.60 49.02 ? 93 PHE A CD1 1 ? ? +824 ATOM C CD2 A PHE A 1 83 ? 48.706 -32.624 -51.566 0.40 50.11 ? 93 PHE A CD2 1 ? ? +825 ATOM C CD2 B PHE A 1 83 ? 48.722 -32.615 -51.597 0.60 50.04 ? 93 PHE A CD2 1 ? ? +826 ATOM C CE1 A PHE A 1 83 ? 47.064 -33.685 -49.639 0.40 49.15 ? 93 PHE A CE1 1 ? ? +827 ATOM C CE1 B PHE A 1 83 ? 47.082 -33.699 -49.676 0.60 49.09 ? 93 PHE A CE1 1 ? ? +828 ATOM C CE2 A PHE A 1 83 ? 49.073 -32.570 -50.233 0.40 50.14 ? 93 PHE A CE2 1 ? ? +829 ATOM C CE2 B PHE A 1 83 ? 49.091 -32.571 -50.262 0.60 50.08 ? 93 PHE A CE2 1 ? ? +830 ATOM C CZ A PHE A 1 83 ? 48.256 -33.106 -49.279 0.40 49.66 ? 93 PHE A CZ 1 ? ? +831 ATOM C CZ B PHE A 1 83 ? 48.277 -33.121 -49.312 0.60 49.60 ? 93 PHE A CZ 1 ? ? +832 ATOM N N A TYR A 1 84 ? 45.112 -30.574 -52.656 0.40 48.20 ? 94 TYR A N 1 ? ? +833 ATOM N N B TYR A 1 84 ? 45.119 -30.565 -52.674 0.60 48.11 ? 94 TYR A N 1 ? ? +834 ATOM C CA A TYR A 1 84 ? 44.957 -29.136 -52.530 0.40 48.07 ? 94 TYR A CA 1 ? ? +835 ATOM C CA B TYR A 1 84 ? 44.961 -29.129 -52.532 0.60 48.00 ? 94 TYR A CA 1 ? ? +836 ATOM C C A TYR A 1 84 ? 45.250 -28.665 -51.112 0.40 47.99 ? 94 TYR A C 1 ? ? +837 ATOM C C B TYR A 1 84 ? 45.248 -28.671 -51.108 0.60 47.94 ? 94 TYR A C 1 ? ? +838 ATOM O O A TYR A 1 84 ? 44.345 -28.225 -50.405 0.40 47.50 ? 94 TYR A O 1 ? ? +839 ATOM O O B TYR A 1 84 ? 44.343 -28.235 -50.399 0.60 47.46 ? 94 TYR A O 1 ? ? +840 ATOM C CB A TYR A 1 84 ? 43.544 -28.731 -52.959 0.40 47.53 ? 94 TYR A CB 1 ? ? +841 ATOM C CB B TYR A 1 84 ? 43.553 -28.725 -52.981 0.60 47.46 ? 94 TYR A CB 1 ? ? +842 ATOM C CG A TYR A 1 84 ? 43.353 -27.251 -53.193 0.40 47.47 ? 94 TYR A CG 1 ? ? +843 ATOM C CG B TYR A 1 84 ? 43.360 -27.244 -53.211 0.60 47.40 ? 94 TYR A CG 1 ? ? +844 ATOM C CD1 A TYR A 1 84 ? 44.215 -26.539 -54.008 0.40 47.97 ? 94 TYR A CD1 1 ? ? +845 ATOM C CD1 B TYR A 1 84 ? 44.216 -26.529 -54.031 0.60 47.88 ? 94 TYR A CD1 1 ? ? +846 ATOM C CD2 A TYR A 1 84 ? 42.277 -26.575 -52.642 0.40 46.97 ? 94 TYR A CD2 1 ? ? +847 ATOM C CD2 B TYR A 1 84 ? 42.286 -26.570 -52.653 0.60 46.90 ? 94 TYR A CD2 1 ? ? +848 ATOM C CE1 A TYR A 1 84 ? 44.029 -25.182 -54.244 0.40 47.97 ? 94 TYR A CE1 1 ? ? +849 ATOM C CE1 B TYR A 1 84 ? 44.026 -25.171 -54.263 0.60 47.89 ? 94 TYR A CE1 1 ? ? +850 ATOM C CE2 A TYR A 1 84 ? 42.079 -25.219 -52.868 0.40 46.95 ? 94 TYR A CE2 1 ? ? +851 ATOM C CE2 B TYR A 1 84 ? 42.086 -25.212 -52.875 0.60 46.86 ? 94 TYR A CE2 1 ? ? +852 ATOM C CZ A TYR A 1 84 ? 42.953 -24.524 -53.674 0.40 47.44 ? 94 TYR A CZ 1 ? ? +853 ATOM C CZ B TYR A 1 84 ? 42.951 -24.516 -53.684 0.60 47.35 ? 94 TYR A CZ 1 ? ? +854 ATOM O OH A TYR A 1 84 ? 42.749 -23.184 -53.892 0.40 47.43 ? 94 TYR A OH 1 ? ? +855 ATOM O OH B TYR A 1 84 ? 42.741 -23.177 -53.896 0.60 47.33 ? 94 TYR A OH 1 ? ? +856 ATOM N N . PRO A 1 85 ? 46.525 -28.726 -50.662 1.00 48.49 ? 95 PRO A N 1 ? ? +857 ATOM C CA . PRO A 1 85 ? 46.898 -28.187 -49.360 1.00 48.51 ? 95 PRO A CA 1 ? ? +858 ATOM C CB . PRO A 1 85 ? 48.299 -28.770 -49.124 1.00 49.20 ? 95 PRO A CB 1 ? ? +859 ATOM C CG . PRO A 1 85 ? 48.877 -28.964 -50.513 1.00 49.62 ? 95 PRO A CG 1 ? ? +860 ATOM C CD . PRO A 1 85 ? 47.666 -29.312 -51.393 1.00 49.14 ? 95 PRO A CD 1 ? ? +861 ATOM C C . PRO A 1 85 ? 46.913 -26.666 -49.436 1.00 48.56 ? 95 PRO A C 1 ? ? +862 ATOM O O . PRO A 1 85 ? 46.856 -26.093 -50.522 1.00 48.61 ? 95 PRO A O 1 ? ? +863 ATOM N N . ILE A 1 86 ? 47.028 -26.023 -48.274 1.00 48.62 ? 96 ILE A N 1 ? ? +864 ATOM C CA . ILE A 1 86 ? 47.048 -24.574 -48.210 1.00 48.78 ? 96 ILE A CA 1 ? ? +865 ATOM C CB . ILE A 1 86 ? 47.169 -24.092 -46.749 1.00 48.74 ? 96 ILE A CB 1 ? ? +866 ATOM C CG1 . ILE A 1 86 ? 45.903 -24.454 -45.955 1.00 48.07 ? 96 ILE A CG1 1 ? ? +867 ATOM C CG2 . ILE A 1 86 ? 47.448 -22.577 -46.674 1.00 48.93 ? 96 ILE A CG2 1 ? ? +868 ATOM C CD1 . ILE A 1 86 ? 45.970 -24.085 -44.517 1.00 47.98 ? 96 ILE A CD1 1 ? ? +869 ATOM C C . ILE A 1 86 ? 48.159 -23.981 -49.070 1.00 49.56 ? 96 ILE A C 1 ? ? +870 ATOM O O . ILE A 1 86 ? 47.938 -22.959 -49.718 1.00 49.59 ? 96 ILE A O 1 ? ? +871 ATOM N N . TRP A 1 87 ? 49.338 -24.627 -49.074 1.00 50.22 ? 97 TRP A N 1 ? ? +872 ATOM C CA . TRP A 1 87 ? 50.495 -24.069 -49.754 1.00 51.06 ? 97 TRP A CA 1 ? ? +873 ATOM C CB . TRP A 1 87 ? 51.818 -24.699 -49.198 1.00 51.53 ? 97 TRP A CB 1 ? ? +874 ATOM C CG . TRP A 1 87 ? 51.915 -26.190 -49.287 1.00 51.42 ? 97 TRP A CG 1 ? ? +875 ATOM C CD1 . TRP A 1 87 ? 52.300 -26.930 -50.366 1.00 51.70 ? 97 TRP A CD1 1 ? ? +876 ATOM N NE1 . TRP A 1 87 ? 52.235 -28.271 -50.065 1.00 51.58 ? 97 TRP A NE1 1 ? ? +877 ATOM C CE2 . TRP A 1 87 ? 51.790 -28.419 -48.777 1.00 51.16 ? 97 TRP A CE2 1 ? ? +878 ATOM C CZ2 . TRP A 1 87 ? 51.559 -29.570 -48.027 1.00 50.94 ? 97 TRP A CZ2 1 ? ? +879 ATOM C CH2 . TRP A 1 87 ? 51.098 -29.410 -46.742 1.00 50.56 ? 97 TRP A CH2 1 ? ? +880 ATOM C CZ3 . TRP A 1 87 ? 50.864 -28.147 -46.204 1.00 50.39 ? 97 TRP A CZ3 1 ? ? +881 ATOM C CE3 . TRP A 1 87 ? 51.105 -27.002 -46.942 1.00 50.63 ? 97 TRP A CE3 1 ? ? +882 ATOM C CD2 . TRP A 1 87 ? 51.584 -27.128 -48.254 1.00 51.04 ? 97 TRP A CD2 1 ? ? +883 ATOM C C . TRP A 1 87 ? 50.415 -24.187 -51.276 1.00 51.52 ? 97 TRP A C 1 ? ? +884 ATOM O O . TRP A 1 87 ? 51.237 -23.623 -51.982 1.00 52.14 ? 97 TRP A O 1 ? ? +885 ATOM N N . GLU A 1 88 ? 49.418 -24.909 -51.793 1.00 51.48 ? 98 GLU A N 1 ? ? +886 ATOM C CA . GLU A 1 88 ? 49.196 -24.966 -53.233 1.00 51.91 ? 98 GLU A CA 1 ? ? +887 ATOM C CB . GLU A 1 88 ? 48.620 -26.336 -53.632 1.00 51.87 ? 98 GLU A CB 1 ? ? +888 ATOM C CG . GLU A 1 88 ? 49.665 -27.445 -53.664 1.00 52.56 ? 98 GLU A CG 1 ? ? +889 ATOM C CD . GLU A 1 88 ? 50.661 -27.242 -54.776 1.00 53.57 ? 98 GLU A CD 1 ? ? +890 ATOM O OE1 . GLU A 1 88 ? 50.175 -27.120 -55.924 1.00 53.89 ? 98 GLU A OE1 1 ? ? +891 ATOM O OE2 . GLU A 1 88 ? 51.892 -27.176 -54.526 1.00 54.29 ? 98 GLU A OE2 1 ? ? +892 ATOM C C . GLU A 1 88 ? 48.287 -23.843 -53.729 1.00 51.71 ? 98 GLU A C 1 ? ? +893 ATOM O O . GLU A 1 88 ? 48.055 -23.722 -54.925 1.00 51.91 ? 98 GLU A O 1 ? ? +894 ATOM N N . ALA A 1 89 ? 47.788 -23.013 -52.809 1.00 51.47 ? 99 ALA A N 1 ? ? +895 ATOM C CA . ALA A 1 89 ? 46.942 -21.889 -53.168 1.00 51.28 ? 99 ALA A CA 1 ? ? +896 ATOM C CB . ALA A 1 89 ? 45.733 -21.801 -52.223 1.00 50.52 ? 99 ALA A CB 1 ? ? +897 ATOM C C . ALA A 1 89 ? 47.744 -20.592 -53.123 1.00 51.78 ? 99 ALA A C 1 ? ? +898 ATOM O O . ALA A 1 89 ? 48.614 -20.437 -52.282 1.00 52.10 ? 99 ALA A O 1 ? ? +899 ATOM N N . ALA A 1 90 ? 47.412 -19.652 -54.013 1.00 51.94 ? 100 ALA A N 1 ? ? +900 ATOM C CA . ALA A 1 90 ? 48.044 -18.343 -54.023 1.00 52.37 ? 100 ALA A CA 1 ? ? +901 ATOM C CB . ALA A 1 90 ? 47.685 -17.610 -55.313 1.00 52.49 ? 100 ALA A CB 1 ? ? +902 ATOM C C . ALA A 1 90 ? 47.655 -17.515 -52.795 1.00 52.06 ? 100 ALA A C 1 ? ? +903 ATOM O O . ALA A 1 90 ? 48.358 -16.595 -52.397 1.00 52.30 ? 100 ALA A O 1 ? ? +904 ATOM N N . SER A 1 91 ? 46.509 -17.829 -52.197 1.00 51.53 ? 101 SER A N 1 ? ? +905 ATOM C CA . SER A 1 91 ? 46.091 -17.148 -50.982 1.00 51.31 ? 101 SER A CA 1 ? ? +906 ATOM C CB . SER A 1 91 ? 45.461 -15.805 -51.294 1.00 51.23 ? 101 SER A CB 1 ? ? +907 ATOM O OG . SER A 1 91 ? 44.309 -15.980 -52.092 1.00 50.94 ? 101 SER A OG 1 ? ? +908 ATOM C C . SER A 1 91 ? 45.100 -18.000 -50.208 1.00 50.72 ? 101 SER A C 1 ? ? +909 ATOM O O . SER A 1 91 ? 44.585 -18.979 -50.741 1.00 50.56 ? 101 SER A O 1 ? ? +910 ATOM N N . LEU A 1 92 ? 44.881 -17.634 -48.947 1.00 50.60 ? 102 LEU A N 1 ? ? +911 ATOM C CA . LEU A 1 92 ? 43.842 -18.256 -48.150 1.00 50.20 ? 102 LEU A CA 1 ? ? +912 ATOM C CB . LEU A 1 92 ? 43.824 -17.699 -46.703 1.00 50.32 ? 102 LEU A CB 1 ? ? +913 ATOM C CG . LEU A 1 92 ? 44.324 -18.590 -45.523 1.00 50.67 ? 102 LEU A CG 1 ? ? +914 ATOM C CD1 . LEU A 1 92 ? 44.786 -19.970 -45.967 1.00 51.03 ? 102 LEU A CD1 1 ? ? +915 ATOM C CD2 . LEU A 1 92 ? 45.440 -17.928 -44.742 1.00 51.34 ? 102 LEU A CD2 1 ? ? +916 ATOM C C . LEU A 1 92 ? 42.472 -18.051 -48.803 1.00 49.69 ? 102 LEU A C 1 ? ? +917 ATOM O O . LEU A 1 92 ? 41.633 -18.943 -48.761 1.00 49.34 ? 102 LEU A O 1 ? ? +918 ATOM N N . ASP A 1 93 ? 42.249 -16.869 -49.390 1.00 49.71 ? 103 ASP A N 1 ? ? +919 ATOM C CA . ASP A 1 93 ? 40.969 -16.553 -49.999 1.00 49.31 ? 103 ASP A CA 1 ? ? +920 ATOM C CB . ASP A 1 93 ? 40.909 -15.089 -50.449 1.00 49.90 ? 103 ASP A CB 1 ? ? +921 ATOM C CG . ASP A 1 93 ? 40.826 -14.076 -49.326 1.00 50.29 ? 103 ASP A CG 1 ? ? +922 ATOM O OD1 . ASP A 1 93 ? 40.286 -14.416 -48.240 1.00 50.20 ? 103 ASP A OD1 1 ? ? +923 ATOM O OD2 . ASP A 1 93 ? 41.327 -12.960 -49.510 1.00 51.40 ? 103 ASP A OD2 1 ? ? +924 ATOM C C . ASP A 1 93 ? 40.698 -17.498 -51.167 1.00 48.83 ? 103 ASP A C 1 ? ? +925 ATOM O O . ASP A 1 93 ? 39.575 -17.979 -51.333 1.00 48.34 ? 103 ASP A O 1 ? ? +926 ATOM N N . GLU A 1 94 ? 41.739 -17.774 -51.961 1.00 48.82 ? 104 GLU A N 1 ? ? +927 ATOM C CA . GLU A 1 94 ? 41.611 -18.745 -53.035 1.00 48.48 ? 104 GLU A CA 1 ? ? +928 ATOM C CB . GLU A 1 94 ? 42.889 -18.859 -53.846 1.00 49.02 ? 104 GLU A CB 1 ? ? +929 ATOM C CG . GLU A 1 94 ? 42.853 -19.956 -54.893 1.00 49.09 ? 104 GLU A CG 1 ? ? +930 ATOM C CD . GLU A 1 94 ? 44.244 -20.391 -55.319 1.00 49.75 ? 104 GLU A CD 1 ? ? +931 ATOM O OE1 . GLU A 1 94 ? 45.049 -19.507 -55.694 1.00 50.18 ? 104 GLU A OE1 1 ? ? +932 ATOM O OE2 . GLU A 1 94 ? 44.534 -21.611 -55.267 1.00 49.79 ? 104 GLU A OE2 1 ? ? +933 ATOM C C . GLU A 1 94 ? 41.249 -20.102 -52.441 1.00 47.79 ? 104 GLU A C 1 ? ? +934 ATOM O O . GLU A 1 94 ? 40.298 -20.747 -52.874 1.00 47.35 ? 104 GLU A O 1 ? ? +935 ATOM N N . TRP A 1 95 ? 42.039 -20.519 -51.449 1.00 47.58 ? 105 TRP A N 1 ? ? +936 ATOM C CA . TRP A 1 95 ? 41.886 -21.822 -50.831 1.00 47.11 ? 105 TRP A CA 1 ? ? +937 ATOM C CB . TRP A 1 95 ? 42.890 -21.949 -49.699 1.00 47.19 ? 105 TRP A CB 1 ? ? +938 ATOM C CG . TRP A 1 95 ? 43.047 -23.324 -49.141 1.00 47.01 ? 105 TRP A CG 1 ? ? +939 ATOM C CD1 . TRP A 1 95 ? 43.598 -24.402 -49.766 1.00 47.25 ? 105 TRP A CD1 1 ? ? +940 ATOM N NE1 . TRP A 1 95 ? 43.617 -25.483 -48.915 1.00 47.12 ? 105 TRP A NE1 1 ? ? +941 ATOM C CE2 . TRP A 1 95 ? 43.051 -25.117 -47.715 1.00 46.76 ? 105 TRP A CE2 1 ? ? +942 ATOM C CZ2 . TRP A 1 95 ? 42.840 -25.857 -46.554 1.00 46.50 ? 105 TRP A CZ2 1 ? ? +943 ATOM C CH2 . TRP A 1 95 ? 42.267 -25.213 -45.497 1.00 46.16 ? 105 TRP A CH2 1 ? ? +944 ATOM C CZ3 . TRP A 1 95 ? 41.899 -23.866 -45.568 1.00 46.03 ? 105 TRP A CZ3 1 ? ? +945 ATOM C CE3 . TRP A 1 95 ? 42.085 -23.134 -46.722 1.00 46.25 ? 105 TRP A CE3 1 ? ? +946 ATOM C CD2 . TRP A 1 95 ? 42.679 -23.761 -47.824 1.00 46.63 ? 105 TRP A CD2 1 ? ? +947 ATOM C C . TRP A 1 95 ? 40.465 -22.048 -50.310 1.00 46.36 ? 105 TRP A C 1 ? ? +948 ATOM O O . TRP A 1 95 ? 39.924 -23.143 -50.413 1.00 46.05 ? 105 TRP A O 1 ? ? +949 ATOM N N . LEU A 1 96 ? 39.891 -21.001 -49.719 1.00 46.08 ? 106 LEU A N 1 ? ? +950 ATOM C CA . LEU A 1 96 ? 38.563 -21.066 -49.146 1.00 45.54 ? 106 LEU A CA 1 ? ? +951 ATOM C CB . LEU A 1 96 ? 38.325 -19.823 -48.278 1.00 45.38 ? 106 LEU A CB 1 ? ? +952 ATOM C CG . LEU A 1 96 ? 39.105 -19.772 -46.993 1.00 45.48 ? 106 LEU A CG 1 ? ? +953 ATOM C CD1 . LEU A 1 96 ? 38.844 -18.494 -46.256 1.00 45.36 ? 106 LEU A CD1 1 ? ? +954 ATOM C CD2 . LEU A 1 96 ? 38.779 -20.971 -46.115 1.00 45.19 ? 106 LEU A CD2 1 ? ? +955 ATOM C C . LEU A 1 96 ? 37.489 -21.175 -50.224 1.00 45.34 ? 106 LEU A C 1 ? ? +956 ATOM O O . LEU A 1 96 ? 36.560 -21.965 -50.090 1.00 45.10 ? 106 LEU A O 1 ? ? +957 ATOM N N A TYR A 1 97 ? 37.638 -20.381 -51.289 0.40 45.60 ? 107 TYR A N 1 ? ? +958 ATOM N N B TYR A 1 97 ? 37.635 -20.381 -51.288 0.60 45.59 ? 107 TYR A N 1 ? ? +959 ATOM C CA A TYR A 1 97 ? 36.701 -20.383 -52.396 0.40 45.48 ? 107 TYR A CA 1 ? ? +960 ATOM C CA B TYR A 1 97 ? 36.697 -20.386 -52.396 0.60 45.47 ? 107 TYR A CA 1 ? ? +961 ATOM C C A TYR A 1 97 ? 36.566 -21.778 -53.002 0.40 45.41 ? 107 TYR A C 1 ? ? +962 ATOM C C B TYR A 1 97 ? 36.564 -21.781 -53.004 0.60 45.39 ? 107 TYR A C 1 ? ? +963 ATOM O O A TYR A 1 97 ? 35.464 -22.227 -53.321 0.40 45.06 ? 107 TYR A O 1 ? ? +964 ATOM O O B TYR A 1 97 ? 35.461 -22.228 -53.330 0.60 45.02 ? 107 TYR A O 1 ? ? +965 ATOM C CB A TYR A 1 97 ? 37.145 -19.372 -53.458 0.40 45.94 ? 107 TYR A CB 1 ? ? +966 ATOM C CB B TYR A 1 97 ? 37.141 -19.364 -53.449 0.60 45.94 ? 107 TYR A CB 1 ? ? +967 ATOM C CG A TYR A 1 97 ? 36.180 -19.255 -54.614 0.40 45.92 ? 107 TYR A CG 1 ? ? +968 ATOM C CG B TYR A 1 97 ? 36.209 -19.251 -54.633 0.60 45.97 ? 107 TYR A CG 1 ? ? +969 ATOM C CD1 A TYR A 1 97 ? 36.249 -20.121 -55.693 0.40 46.14 ? 107 TYR A CD1 1 ? ? +970 ATOM C CD1 B TYR A 1 97 ? 36.338 -20.090 -55.727 0.60 46.21 ? 107 TYR A CD1 1 ? ? +971 ATOM C CD2 A TYR A 1 97 ? 35.175 -18.302 -54.610 0.40 45.73 ? 107 TYR A CD2 1 ? ? +972 ATOM C CD2 B TYR A 1 97 ? 35.186 -18.314 -54.651 0.60 45.78 ? 107 TYR A CD2 1 ? ? +973 ATOM C CE1 A TYR A 1 97 ? 35.351 -20.028 -56.753 0.40 46.11 ? 107 TYR A CE1 1 ? ? +974 ATOM C CE1 B TYR A 1 97 ? 35.477 -19.998 -56.817 0.60 46.20 ? 107 TYR A CE1 1 ? ? +975 ATOM C CE2 A TYR A 1 97 ? 34.271 -18.201 -55.658 0.40 45.71 ? 107 TYR A CE2 1 ? ? +976 ATOM C CE2 B TYR A 1 97 ? 34.314 -18.217 -55.729 0.60 45.79 ? 107 TYR A CE2 1 ? ? +977 ATOM C CZ A TYR A 1 97 ? 34.363 -19.063 -56.732 0.40 45.90 ? 107 TYR A CZ 1 ? ? +978 ATOM C CZ B TYR A 1 97 ? 34.469 -19.055 -56.817 0.60 46.00 ? 107 TYR A CZ 1 ? ? +979 ATOM O OH A TYR A 1 97 ? 33.462 -18.949 -57.768 0.40 45.92 ? 107 TYR A OH 1 ? ? +980 ATOM O OH B TYR A 1 97 ? 33.616 -18.951 -57.891 0.60 46.06 ? 107 TYR A OH 1 ? ? +981 ATOM N N A ASN A 1 98 ? 37.704 -22.466 -53.127 0.40 45.71 ? 108 ASN A N 1 ? ? +982 ATOM N N B ASN A 1 98 ? 37.705 -22.470 -53.128 0.60 45.66 ? 108 ASN A N 1 ? ? +983 ATOM C CA A ASN A 1 98 ? 37.749 -23.740 -53.820 0.40 45.75 ? 108 ASN A CA 1 ? ? +984 ATOM C CA B ASN A 1 98 ? 37.760 -23.750 -53.811 0.60 45.70 ? 108 ASN A CA 1 ? ? +985 ATOM C C A ASN A 1 98 ? 37.546 -24.942 -52.901 0.40 45.45 ? 108 ASN A C 1 ? ? +986 ATOM C C B ASN A 1 98 ? 37.510 -24.949 -52.900 0.60 45.37 ? 108 ASN A C 1 ? ? +987 ATOM O O A ASN A 1 98 ? 37.712 -26.081 -53.327 0.40 45.58 ? 108 ASN A O 1 ? ? +988 ATOM O O B ASN A 1 98 ? 37.612 -26.087 -53.346 0.60 45.49 ? 108 ASN A O 1 ? ? +989 ATOM C CB A ASN A 1 98 ? 39.062 -23.856 -54.580 0.40 46.33 ? 108 ASN A CB 1 ? ? +990 ATOM C CB B ASN A 1 98 ? 39.109 -23.899 -54.520 0.60 46.29 ? 108 ASN A CB 1 ? ? +991 ATOM C CG A ASN A 1 98 ? 39.121 -22.882 -55.724 0.40 46.61 ? 108 ASN A CG 1 ? ? +992 ATOM C CG B ASN A 1 98 ? 39.238 -22.982 -55.700 0.60 46.59 ? 108 ASN A CG 1 ? ? +993 ATOM O OD1 A ASN A 1 98 ? 38.889 -23.233 -56.879 0.40 46.75 ? 108 ASN A OD1 1 ? ? +994 ATOM O OD1 B ASN A 1 98 ? 39.143 -23.404 -56.858 0.60 46.78 ? 108 ASN A OD1 1 ? ? +995 ATOM N ND2 A ASN A 1 98 ? 39.394 -21.626 -55.429 0.40 46.72 ? 108 ASN A ND2 1 ? ? +996 ATOM N ND2 B ASN A 1 98 ? 39.435 -21.700 -55.436 0.60 46.69 ? 108 ASN A ND2 1 ? ? +997 ATOM N N A GLY A 1 99 ? 37.169 -24.684 -51.647 0.40 45.08 ? 109 GLY A N 1 ? ? +998 ATOM N N B GLY A 1 99 ? 37.166 -24.694 -51.634 0.60 45.00 ? 109 GLY A N 1 ? ? +999 ATOM C CA A GLY A 1 99 ? 36.859 -25.753 -50.712 0.40 44.76 ? 109 GLY A CA 1 ? ? +1000 ATOM C CA B GLY A 1 99 ? 36.850 -25.762 -50.702 0.60 44.68 ? 109 GLY A CA 1 ? ? +1001 ATOM C C A GLY A 1 99 ? 38.091 -26.477 -50.171 0.40 45.04 ? 109 GLY A C 1 ? ? +1002 ATOM C C B GLY A 1 99 ? 38.076 -26.485 -50.144 0.60 44.94 ? 109 GLY A C 1 ? ? +1003 ATOM O O A GLY A 1 99 ? 38.063 -27.681 -49.933 0.40 44.99 ? 109 GLY A O 1 ? ? +1004 ATOM O O B GLY A 1 99 ? 38.023 -27.673 -49.837 0.60 44.87 ? 109 GLY A O 1 ? ? +1005 ATOM N N A GLY A 1 100 ? 39.177 -25.733 -49.968 0.40 45.34 ? 110 GLY A N 1 ? ? +1006 ATOM N N B GLY A 1 100 ? 39.181 -25.753 -49.992 0.60 45.24 ? 110 GLY A N 1 ? ? +1007 ATOM C CA A GLY A 1 100 ? 40.378 -26.299 -49.380 0.40 45.64 ? 110 GLY A CA 1 ? ? +1008 ATOM C CA B GLY A 1 100 ? 40.375 -26.300 -49.368 0.60 45.53 ? 110 GLY A CA 1 ? ? +1009 ATOM C C A GLY A 1 100 ? 40.099 -27.016 -48.061 0.40 45.33 ? 110 GLY A C 1 ? ? +1010 ATOM C C B GLY A 1 100 ? 40.088 -27.009 -48.047 0.60 45.22 ? 110 GLY A C 1 ? ? +1011 ATOM O O A GLY A 1 100 ? 40.512 -28.154 -47.863 0.40 45.47 ? 110 GLY A O 1 ? ? +1012 ATOM O O B GLY A 1 100 ? 40.487 -28.153 -47.848 0.60 45.36 ? 110 GLY A O 1 ? ? +1013 ATOM N N A PRO A 1 101 ? 39.395 -26.370 -47.106 0.40 44.91 ? 111 PRO A N 1 ? ? +1014 ATOM N N B PRO A 1 101 ? 39.388 -26.359 -47.091 0.60 44.80 ? 111 PRO A N 1 ? ? +1015 ATOM C CA A PRO A 1 101 ? 39.167 -26.961 -45.785 0.40 44.69 ? 111 PRO A CA 1 ? ? +1016 ATOM C CA B PRO A 1 101 ? 39.159 -26.958 -45.774 0.60 44.59 ? 111 PRO A CA 1 ? ? +1017 ATOM C C A PRO A 1 101 ? 38.672 -28.410 -45.763 0.40 44.52 ? 111 PRO A C 1 ? ? +1018 ATOM C C B PRO A 1 101 ? 38.662 -28.409 -45.760 0.60 44.45 ? 111 PRO A C 1 ? ? +1019 ATOM O O A PRO A 1 101 ? 39.110 -29.196 -44.923 0.40 44.63 ? 111 PRO A O 1 ? ? +1020 ATOM O O B PRO A 1 101 ? 39.106 -29.203 -44.928 0.60 44.55 ? 111 PRO A O 1 ? ? +1021 ATOM C CB A PRO A 1 101 ? 38.158 -25.989 -45.172 0.40 44.27 ? 111 PRO A CB 1 ? ? +1022 ATOM C CB B PRO A 1 101 ? 38.158 -25.982 -45.155 0.60 44.18 ? 111 PRO A CB 1 ? ? +1023 ATOM C CG A PRO A 1 101 ? 38.484 -24.655 -45.830 0.40 44.45 ? 111 PRO A CG 1 ? ? +1024 ATOM C CG B PRO A 1 101 ? 38.492 -24.644 -45.807 0.60 44.34 ? 111 PRO A CG 1 ? ? +1025 ATOM C CD A PRO A 1 101 ? 38.835 -25.015 -47.236 0.40 44.71 ? 111 PRO A CD 1 ? ? +1026 ATOM C CD B PRO A 1 101 ? 38.831 -24.999 -47.209 0.60 44.61 ? 111 PRO A CD 1 ? ? +1027 ATOM N N A TYR A 1 102 ? 37.763 -28.759 -46.684 0.40 44.30 ? 112 TYR A N 1 ? ? +1028 ATOM N N B TYR A 1 102 ? 37.753 -28.754 -46.683 0.60 44.24 ? 112 TYR A N 1 ? ? +1029 ATOM C CA A TYR A 1 102 ? 37.234 -30.113 -46.788 0.40 44.17 ? 112 TYR A CA 1 ? ? +1030 ATOM C CA B TYR A 1 102 ? 37.229 -30.110 -46.793 0.60 44.12 ? 112 TYR A CA 1 ? ? +1031 ATOM C C A TYR A 1 102 ? 38.334 -31.170 -46.869 0.40 44.54 ? 112 TYR A C 1 ? ? +1032 ATOM C C B TYR A 1 102 ? 38.333 -31.162 -46.872 0.60 44.50 ? 112 TYR A C 1 ? ? +1033 ATOM O O A TYR A 1 102 ? 38.330 -32.148 -46.122 0.40 44.50 ? 112 TYR A O 1 ? ? +1034 ATOM O O B TYR A 1 102 ? 38.324 -32.136 -46.122 0.60 44.46 ? 112 TYR A O 1 ? ? +1035 ATOM C CB A TYR A 1 102 ? 36.348 -30.238 -48.031 0.40 44.04 ? 112 TYR A CB 1 ? ? +1036 ATOM C CB B TYR A 1 102 ? 36.351 -30.248 -48.040 0.60 44.00 ? 112 TYR A CB 1 ? ? +1037 ATOM C CG A TYR A 1 102 ? 35.643 -31.570 -48.163 0.40 43.93 ? 112 TYR A CG 1 ? ? +1038 ATOM C CG B TYR A 1 102 ? 35.658 -31.587 -48.169 0.60 43.91 ? 112 TYR A CG 1 ? ? +1039 ATOM C CD1 A TYR A 1 102 ? 34.606 -31.916 -47.315 0.40 43.58 ? 112 TYR A CD1 1 ? ? +1040 ATOM C CD1 B TYR A 1 102 ? 34.556 -31.899 -47.389 0.60 43.55 ? 112 TYR A CD1 1 ? ? +1041 ATOM C CD2 A TYR A 1 102 ? 35.997 -32.471 -49.152 0.40 44.20 ? 112 TYR A CD2 1 ? ? +1042 ATOM C CD2 B TYR A 1 102 ? 36.080 -32.526 -49.094 0.60 44.20 ? 112 TYR A CD2 1 ? ? +1043 ATOM C CE1 A TYR A 1 102 ? 33.945 -33.132 -47.438 0.40 43.49 ? 112 TYR A CE1 1 ? ? +1044 ATOM C CE1 B TYR A 1 102 ? 33.903 -33.121 -47.514 0.60 43.47 ? 112 TYR A CE1 1 ? ? +1045 ATOM C CE2 A TYR A 1 102 ? 35.344 -33.693 -49.284 0.40 44.11 ? 112 TYR A CE2 1 ? ? +1046 ATOM C CE2 B TYR A 1 102 ? 35.434 -33.753 -49.227 0.60 44.12 ? 112 TYR A CE2 1 ? ? +1047 ATOM C CZ A TYR A 1 102 ? 34.317 -34.020 -48.423 0.40 43.74 ? 112 TYR A CZ 1 ? ? +1048 ATOM C CZ B TYR A 1 102 ? 34.345 -34.048 -48.431 0.60 43.73 ? 112 TYR A CZ 1 ? ? +1049 ATOM O OH A TYR A 1 102 ? 33.657 -35.222 -48.536 0.40 43.67 ? 112 TYR A OH 1 ? ? +1050 ATOM O OH B TYR A 1 102 ? 33.691 -35.252 -48.545 0.60 43.66 ? 112 TYR A OH 1 ? ? +1051 ATOM N N A GLN A 1 103 ? 39.265 -30.976 -47.811 0.40 44.91 ? 113 GLN A N 1 ? ? +1052 ATOM N N B GLN A 1 103 ? 39.267 -30.967 -47.812 0.60 44.88 ? 113 GLN A N 1 ? ? +1053 ATOM C CA A GLN A 1 103 ? 40.377 -31.899 -47.976 0.40 45.34 ? 113 GLN A CA 1 ? ? +1054 ATOM C CA B GLN A 1 103 ? 40.381 -31.889 -47.974 0.60 45.32 ? 113 GLN A CA 1 ? ? +1055 ATOM C C A GLN A 1 103 ? 41.164 -32.028 -46.678 0.40 45.46 ? 113 GLN A C 1 ? ? +1056 ATOM C C B GLN A 1 103 ? 41.174 -32.024 -46.682 0.60 45.43 ? 113 GLN A C 1 ? ? +1057 ATOM O O A GLN A 1 103 ? 41.486 -33.138 -46.266 0.40 45.57 ? 113 GLN A O 1 ? ? +1058 ATOM O O B GLN A 1 103 ? 41.496 -33.133 -46.273 0.60 45.53 ? 113 GLN A O 1 ? ? +1059 ATOM C CB A GLN A 1 103 ? 41.291 -31.490 -49.136 0.40 45.79 ? 113 GLN A CB 1 ? ? +1060 ATOM C CB B GLN A 1 103 ? 41.298 -31.482 -49.128 0.60 45.77 ? 113 GLN A CB 1 ? ? +1061 ATOM C CG A GLN A 1 103 ? 40.638 -31.763 -50.480 0.40 45.73 ? 113 GLN A CG 1 ? ? +1062 ATOM C CG B GLN A 1 103 ? 40.706 -31.858 -50.479 0.60 45.74 ? 113 GLN A CG 1 ? ? +1063 ATOM C CD A GLN A 1 103 ? 41.605 -31.771 -51.616 0.40 46.25 ? 113 GLN A CD 1 ? ? +1064 ATOM C CD B GLN A 1 103 ? 41.712 -31.831 -51.573 0.60 46.28 ? 113 GLN A CD 1 ? ? +1065 ATOM O OE1 A GLN A 1 103 ? 42.837 -31.733 -51.434 0.40 46.72 ? 113 GLN A OE1 1 ? ? +1066 ATOM O OE1 B GLN A 1 103 ? 42.937 -31.792 -51.331 0.60 46.75 ? 113 GLN A OE1 1 ? ? +1067 ATOM N NE2 A GLN A 1 103 ? 41.063 -31.830 -52.825 0.40 46.22 ? 113 GLN A NE2 1 ? ? +1068 ATOM N NE2 B GLN A 1 103 ? 41.222 -31.861 -52.809 0.60 46.27 ? 113 GLN A NE2 1 ? ? +1069 ATOM N N . LEU A 1 104 ? 41.431 -30.891 -46.028 1.00 45.44 ? 114 LEU A N 1 ? ? +1070 ATOM C CA . LEU A 1 104 ? 42.219 -30.878 -44.803 1.00 45.67 ? 114 LEU A CA 1 ? ? +1071 ATOM C CB . LEU A 1 104 ? 42.507 -29.428 -44.340 1.00 45.70 ? 114 LEU A CB 1 ? ? +1072 ATOM C CG . LEU A 1 104 ? 43.590 -29.307 -43.262 1.00 46.06 ? 114 LEU A CG 1 ? ? +1073 ATOM C CD1 . LEU A 1 104 ? 44.481 -28.073 -43.465 1.00 46.42 ? 114 LEU A CD1 1 ? ? +1074 ATOM C CD2 . LEU A 1 104 ? 42.979 -29.281 -41.876 1.00 45.73 ? 114 LEU A CD2 1 ? ? +1075 ATOM C C . LEU A 1 104 ? 41.507 -31.682 -43.718 1.00 45.38 ? 114 LEU A C 1 ? ? +1076 ATOM O O . LEU A 1 104 ? 42.109 -32.543 -43.084 1.00 45.54 ? 114 LEU A O 1 ? ? +1077 ATOM N N . ILE A 1 105 ? 40.201 -31.431 -43.549 1.00 44.92 ? 115 ILE A N 1 ? ? +1078 ATOM C CA . ILE A 1 105 ? 39.435 -32.138 -42.536 1.00 44.66 ? 115 ILE A CA 1 ? ? +1079 ATOM C CB . ILE A 1 105 ? 38.032 -31.528 -42.372 1.00 44.14 ? 115 ILE A CB 1 ? ? +1080 ATOM C CG1 . ILE A 1 105 ? 38.175 -30.102 -41.861 1.00 44.13 ? 115 ILE A CG1 1 ? ? +1081 ATOM C CG2 . ILE A 1 105 ? 37.200 -32.348 -41.444 1.00 43.85 ? 115 ILE A CG2 1 ? ? +1082 ATOM C CD1 . ILE A 1 105 ? 37.040 -29.295 -42.031 1.00 43.76 ? 115 ILE A CD1 1 ? ? +1083 ATOM C C . ILE A 1 105 ? 39.390 -33.644 -42.769 1.00 44.78 ? 115 ILE A C 1 ? ? +1084 ATOM O O . ILE A 1 105 ? 39.701 -34.410 -41.865 1.00 44.92 ? 115 ILE A O 1 ? ? +1085 ATOM N N A ILE A 1 106 ? 39.042 -34.075 -43.986 0.40 44.81 ? 116 ILE A N 1 ? ? +1086 ATOM N N B ILE A 1 106 ? 39.036 -34.071 -43.985 0.60 44.81 ? 116 ILE A N 1 ? ? +1087 ATOM C CA A ILE A 1 106 ? 38.799 -35.493 -44.203 0.40 44.91 ? 116 ILE A CA 1 ? ? +1088 ATOM C CA B ILE A 1 106 ? 38.802 -35.489 -44.206 0.60 44.93 ? 116 ILE A CA 1 ? ? +1089 ATOM C C A ILE A 1 106 ? 40.085 -36.319 -44.171 0.40 45.43 ? 116 ILE A C 1 ? ? +1090 ATOM C C B ILE A 1 106 ? 40.085 -36.317 -44.171 0.60 45.45 ? 116 ILE A C 1 ? ? +1091 ATOM O O A ILE A 1 106 ? 40.093 -37.412 -43.610 0.40 45.50 ? 116 ILE A O 1 ? ? +1092 ATOM O O B ILE A 1 106 ? 40.086 -37.409 -43.608 0.60 45.50 ? 116 ILE A O 1 ? ? +1093 ATOM C CB A ILE A 1 106 ? 37.973 -35.763 -45.476 0.40 44.78 ? 116 ILE A CB 1 ? ? +1094 ATOM C CB B ILE A 1 106 ? 37.972 -35.770 -45.478 0.60 44.81 ? 116 ILE A CB 1 ? ? +1095 ATOM C CG1 A ILE A 1 106 ? 38.675 -35.270 -46.718 0.40 45.09 ? 116 ILE A CG1 1 ? ? +1096 ATOM C CG1 B ILE A 1 106 ? 38.664 -35.299 -46.739 0.60 45.13 ? 116 ILE A CG1 1 ? ? +1097 ATOM C CG2 A ILE A 1 106 ? 36.567 -35.169 -45.344 0.40 44.28 ? 116 ILE A CG2 1 ? ? +1098 ATOM C CG2 B ILE A 1 106 ? 36.566 -35.169 -45.342 0.60 44.31 ? 116 ILE A CG2 1 ? ? +1099 ATOM C CD1 A ILE A 1 106 ? 38.103 -35.840 -47.952 0.40 45.07 ? 116 ILE A CD1 1 ? ? +1100 ATOM C CD1 B ILE A 1 106 ? 38.104 -35.904 -47.955 0.60 45.14 ? 116 ILE A CD1 1 ? ? +1101 ATOM N N A PHE A 1 107 ? 41.167 -35.794 -44.756 0.40 45.85 ? 117 PHE A N 1 ? ? +1102 ATOM N N B PHE A 1 107 ? 41.171 -35.799 -44.755 0.60 45.87 ? 117 PHE A N 1 ? ? +1103 ATOM C CA A PHE A 1 107 ? 42.435 -36.513 -44.762 0.40 46.44 ? 117 PHE A CA 1 ? ? +1104 ATOM C CA B PHE A 1 107 ? 42.435 -36.528 -44.755 0.60 46.48 ? 117 PHE A CA 1 ? ? +1105 ATOM C C A PHE A 1 107 ? 42.957 -36.728 -43.345 0.40 46.51 ? 117 PHE A C 1 ? ? +1106 ATOM C C B PHE A 1 107 ? 42.969 -36.729 -43.341 0.60 46.53 ? 117 PHE A C 1 ? ? +1107 ATOM O O A PHE A 1 107 ? 43.323 -37.843 -42.986 0.40 46.75 ? 117 PHE A O 1 ? ? +1108 ATOM O O B PHE A 1 107 ? 43.343 -37.840 -42.981 0.60 46.77 ? 117 PHE A O 1 ? ? +1109 ATOM C CB A PHE A 1 107 ? 43.491 -35.793 -45.609 0.40 46.93 ? 117 PHE A CB 1 ? ? +1110 ATOM C CB B PHE A 1 107 ? 43.492 -35.828 -45.615 0.60 46.99 ? 117 PHE A CB 1 ? ? +1111 ATOM C CG A PHE A 1 107 ? 43.145 -35.792 -47.072 0.40 46.95 ? 117 PHE A CG 1 ? ? +1112 ATOM C CG B PHE A 1 107 ? 43.156 -35.795 -47.082 0.60 47.04 ? 117 PHE A CG 1 ? ? +1113 ATOM C CD1 A PHE A 1 107 ? 42.225 -36.684 -47.580 0.40 46.76 ? 117 PHE A CD1 1 ? ? +1114 ATOM C CD1 B PHE A 1 107 ? 42.159 -36.600 -47.601 0.60 46.83 ? 117 PHE A CD1 1 ? ? +1115 ATOM C CD2 A PHE A 1 107 ? 43.700 -34.867 -47.927 0.40 47.21 ? 117 PHE A CD2 1 ? ? +1116 ATOM C CD2 B PHE A 1 107 ? 43.805 -34.930 -47.933 0.60 47.36 ? 117 PHE A CD2 1 ? ? +1117 ATOM C CE1 A PHE A 1 107 ? 41.884 -36.665 -48.924 0.40 46.77 ? 117 PHE A CE1 1 ? ? +1118 ATOM C CE1 B PHE A 1 107 ? 41.831 -36.546 -48.948 0.60 46.86 ? 117 PHE A CE1 1 ? ? +1119 ATOM C CE2 A PHE A 1 107 ? 43.357 -34.850 -49.268 0.40 47.23 ? 117 PHE A CE2 1 ? ? +1120 ATOM C CE2 B PHE A 1 107 ? 43.481 -34.887 -49.281 0.60 47.39 ? 117 PHE A CE2 1 ? ? +1121 ATOM C CZ A PHE A 1 107 ? 42.445 -35.745 -49.758 0.40 46.99 ? 117 PHE A CZ 1 ? ? +1122 ATOM C CZ B PHE A 1 107 ? 42.482 -35.686 -49.777 0.60 47.13 ? 117 PHE A CZ 1 ? ? +1123 ATOM N N . HIS A 1 108 ? 42.975 -35.654 -42.549 1.00 46.33 ? 118 HIS A N 1 ? ? +1124 ATOM C CA . HIS A 1 108 ? 43.346 -35.736 -41.147 1.00 46.37 ? 118 HIS A CA 1 ? ? +1125 ATOM C CB . HIS A 1 108 ? 43.335 -34.337 -40.526 1.00 46.21 ? 118 HIS A CB 1 ? ? +1126 ATOM C CG . HIS A 1 108 ? 44.472 -33.476 -40.980 1.00 46.62 ? 118 HIS A CG 1 ? ? +1127 ATOM N ND1 . HIS A 1 108 ? 45.634 -33.416 -40.268 1.00 47.09 ? 118 HIS A ND1 1 ? ? +1128 ATOM C CE1 . HIS A 1 108 ? 46.413 -32.597 -40.926 1.00 47.41 ? 118 HIS A CE1 1 ? ? +1129 ATOM N NE2 . HIS A 1 108 ? 45.844 -32.172 -42.045 1.00 47.16 ? 118 HIS A NE2 1 ? ? +1130 ATOM C CD2 . HIS A 1 108 ? 44.613 -32.731 -42.094 1.00 46.67 ? 118 HIS A CD2 1 ? ? +1131 ATOM C C . HIS A 1 108 ? 42.433 -36.667 -40.356 1.00 46.01 ? 118 HIS A C 1 ? ? +1132 ATOM O O . HIS A 1 108 ? 42.911 -37.510 -39.600 1.00 46.21 ? 118 HIS A O 1 ? ? +1133 ATOM N N . PHE A 1 109 ? 41.109 -36.523 -40.564 1.00 45.48 ? 119 PHE A N 1 ? ? +1134 ATOM C CA . PHE A 1 109 ? 40.123 -37.363 -39.903 1.00 45.13 ? 119 PHE A CA 1 ? ? +1135 ATOM C CB . PHE A 1 109 ? 38.700 -36.962 -40.314 1.00 44.65 ? 119 PHE A CB 1 ? ? +1136 ATOM C CG . PHE A 1 109 ? 37.667 -37.965 -39.848 1.00 44.44 ? 119 PHE A CG 1 ? ? +1137 ATOM C CD1 . PHE A 1 109 ? 37.324 -38.062 -38.517 1.00 44.35 ? 119 PHE A CD1 1 ? ? +1138 ATOM C CD2 . PHE A 1 109 ? 37.107 -38.859 -40.729 1.00 44.42 ? 119 PHE A CD2 1 ? ? +1139 ATOM C CE1 . PHE A 1 109 ? 36.403 -39.001 -38.095 1.00 44.22 ? 119 PHE A CE1 1 ? ? +1140 ATOM C CE2 . PHE A 1 109 ? 36.190 -39.799 -40.300 1.00 44.28 ? 119 PHE A CE2 1 ? ? +1141 ATOM C CZ . PHE A 1 109 ? 35.856 -39.873 -38.989 1.00 44.18 ? 119 PHE A CZ 1 ? ? +1142 ATOM C C . PHE A 1 109 ? 40.314 -38.849 -40.185 1.00 45.35 ? 119 PHE A C 1 ? ? +1143 ATOM O O . PHE A 1 109 ? 40.317 -39.651 -39.256 1.00 45.43 ? 119 PHE A O 1 ? ? +1144 ATOM N N A LEU A 1 110 ? 40.462 -39.207 -41.466 0.40 45.46 ? 120 LEU A N 1 ? ? +1145 ATOM N N B LEU A 1 110 ? 40.460 -39.209 -41.465 0.60 45.46 ? 120 LEU A N 1 ? ? +1146 ATOM C CA A LEU A 1 110 ? 40.606 -40.599 -41.863 0.40 45.72 ? 120 LEU A CA 1 ? ? +1147 ATOM C CA B LEU A 1 110 ? 40.602 -40.605 -41.851 0.60 45.71 ? 120 LEU A CA 1 ? ? +1148 ATOM C C A LEU A 1 110 ? 41.884 -41.209 -41.294 0.40 46.28 ? 120 LEU A C 1 ? ? +1149 ATOM C C B LEU A 1 110 ? 41.885 -41.209 -41.290 0.60 46.27 ? 120 LEU A C 1 ? ? +1150 ATOM O O A LEU A 1 110 ? 41.882 -42.357 -40.858 0.40 46.45 ? 120 LEU A O 1 ? ? +1151 ATOM O O B LEU A 1 110 ? 41.888 -42.358 -40.855 0.60 46.44 ? 120 LEU A O 1 ? ? +1152 ATOM C CB A LEU A 1 110 ? 40.594 -40.724 -43.386 0.40 45.78 ? 120 LEU A CB 1 ? ? +1153 ATOM C CB B LEU A 1 110 ? 40.564 -40.754 -43.373 0.60 45.76 ? 120 LEU A CB 1 ? ? +1154 ATOM C CG A LEU A 1 110 ? 39.256 -40.468 -44.035 0.40 45.31 ? 120 LEU A CG 1 ? ? +1155 ATOM C CG B LEU A 1 110 ? 39.215 -40.511 -44.011 0.60 45.30 ? 120 LEU A CG 1 ? ? +1156 ATOM C CD1 A LEU A 1 110 ? 39.351 -40.519 -45.541 0.40 45.43 ? 120 LEU A CD1 1 ? ? +1157 ATOM C CD1 B LEU A 1 110 ? 39.292 -40.563 -45.519 0.60 45.41 ? 120 LEU A CD1 1 ? ? +1158 ATOM C CD2 A LEU A 1 110 ? 38.234 -41.465 -43.558 0.40 45.10 ? 120 LEU A CD2 1 ? ? +1159 ATOM C CD2 B LEU A 1 110 ? 38.203 -41.517 -43.531 0.60 45.10 ? 120 LEU A CD2 1 ? ? +1160 ATOM N N . LEU A 1 111 ? 42.970 -40.430 -41.299 1.00 46.60 ? 121 LEU A N 1 ? ? +1161 ATOM C CA . LEU A 1 111 ? 44.202 -40.847 -40.656 1.00 47.18 ? 121 LEU A CA 1 ? ? +1162 ATOM C CB . LEU A 1 111 ? 45.314 -39.797 -40.815 1.00 47.61 ? 121 LEU A CB 1 ? ? +1163 ATOM C CG . LEU A 1 111 ? 46.370 -40.077 -41.812 1.00 48.24 ? 121 LEU A CG 1 ? ? +1164 ATOM C CD1 . LEU A 1 111 ? 47.575 -39.211 -41.550 1.00 48.69 ? 121 LEU A CD1 1 ? ? +1165 ATOM C CD2 . LEU A 1 111 ? 46.815 -41.543 -41.792 1.00 48.72 ? 121 LEU A CD2 1 ? ? +1166 ATOM C C . LEU A 1 111 ? 43.999 -41.068 -39.161 1.00 47.04 ? 121 LEU A C 1 ? ? +1167 ATOM O O . LEU A 1 111 ? 44.399 -42.097 -38.608 1.00 47.34 ? 121 LEU A O 1 ? ? +1168 ATOM N N . GLY A 1 112 ? 43.408 -40.063 -38.508 1.00 46.60 ? 122 GLY A N 1 ? ? +1169 ATOM C CA . GLY A 1 112 ? 43.177 -40.121 -37.075 1.00 46.50 ? 122 GLY A CA 1 ? ? +1170 ATOM C C . GLY A 1 112 ? 42.274 -41.275 -36.648 1.00 46.29 ? 122 GLY A C 1 ? ? +1171 ATOM O O . GLY A 1 112 ? 42.510 -41.895 -35.617 1.00 46.47 ? 122 GLY A O 1 ? ? +1172 ATOM N N . ALA A 1 113 ? 41.243 -41.558 -37.452 1.00 45.90 ? 123 ALA A N 1 ? ? +1173 ATOM C CA . ALA A 1 113 ? 40.280 -42.597 -37.125 1.00 45.72 ? 123 ALA A CA 1 ? ? +1174 ATOM C CB . ALA A 1 113 ? 38.997 -42.398 -37.938 1.00 45.22 ? 123 ALA A CB 1 ? ? +1175 ATOM C C . ALA A 1 113 ? 40.872 -43.985 -37.369 1.00 46.15 ? 123 ALA A C 1 ? ? +1176 ATOM O O . ALA A 1 113 ? 40.572 -44.933 -36.651 1.00 46.22 ? 123 ALA A O 1 ? ? +1177 ATOM N N . SER A 1 114 ? 41.700 -44.103 -38.406 1.00 46.48 ? 124 SER A N 1 ? ? +1178 ATOM C CA . SER A 1 114 ? 42.461 -45.324 -38.638 1.00 47.03 ? 124 SER A CA 1 ? ? +1179 ATOM C CB . SER A 1 114 ? 43.257 -45.241 -39.946 1.00 47.35 ? 124 SER A CB 1 ? ? +1180 ATOM O OG . SER A 1 114 ? 42.386 -45.010 -41.041 1.00 47.02 ? 124 SER A OG 1 ? ? +1181 ATOM C C . SER A 1 114 ? 43.399 -45.626 -37.470 1.00 47.44 ? 124 SER A C 1 ? ? +1182 ATOM O O . SER A 1 114 ? 43.516 -46.777 -37.059 1.00 47.77 ? 124 SER A O 1 ? ? +1183 ATOM N N . CYS A 1 115 ? 44.048 -44.592 -36.919 1.00 47.45 ? 125 CYS A N 1 ? ? +1184 ATOM C CA . CYS A 1 115 ? 44.882 -44.776 -35.740 1.00 47.86 ? 125 CYS A CA 1 ? ? +1185 ATOM C CB . CYS A 1 115 ? 45.834 -43.593 -35.596 1.00 48.07 ? 125 CYS A CB 1 ? ? +1186 ATOM S SG . CYS A 1 115 ? 47.046 -43.479 -36.952 1.00 48.56 ? 125 CYS A SG 1 ? ? +1187 ATOM C C . CYS A 1 115 ? 44.075 -45.035 -34.463 1.00 47.59 ? 125 CYS A C 1 ? ? +1188 ATOM O O . CYS A 1 115 ? 44.539 -45.720 -33.555 1.00 47.96 ? 125 CYS A O 1 ? ? +1189 ATOM N N A TYR A 1 116 ? 42.861 -44.482 -34.405 0.40 46.98 ? 126 TYR A N 1 ? ? +1190 ATOM N N B TYR A 1 116 ? 42.863 -44.479 -34.403 0.60 46.98 ? 126 TYR A N 1 ? ? +1191 ATOM C CA A TYR A 1 116 ? 41.928 -44.796 -33.338 0.40 46.74 ? 126 TYR A CA 1 ? ? +1192 ATOM C CA B TYR A 1 116 ? 41.929 -44.796 -33.337 0.60 46.75 ? 126 TYR A CA 1 ? ? +1193 ATOM C C A TYR A 1 116 ? 41.679 -46.302 -33.263 0.40 46.93 ? 126 TYR A C 1 ? ? +1194 ATOM C C B TYR A 1 116 ? 41.681 -46.302 -33.263 0.60 46.93 ? 126 TYR A C 1 ? ? +1195 ATOM O O A TYR A 1 116 ? 41.703 -46.887 -32.180 0.40 47.12 ? 126 TYR A O 1 ? ? +1196 ATOM O O B TYR A 1 116 ? 41.703 -46.886 -32.178 0.60 47.11 ? 126 TYR A O 1 ? ? +1197 ATOM C CB A TYR A 1 116 ? 40.612 -44.029 -33.555 0.40 46.11 ? 126 TYR A CB 1 ? ? +1198 ATOM C CB B TYR A 1 116 ? 40.614 -44.032 -33.561 0.60 46.12 ? 126 TYR A CB 1 ? ? +1199 ATOM C CG A TYR A 1 116 ? 39.649 -44.105 -32.395 0.40 45.87 ? 126 TYR A CG 1 ? ? +1200 ATOM C CG B TYR A 1 116 ? 39.652 -44.100 -32.403 0.60 45.89 ? 126 TYR A CG 1 ? ? +1201 ATOM C CD1 A TYR A 1 116 ? 38.756 -45.159 -32.274 0.40 45.79 ? 126 TYR A CD1 1 ? ? +1202 ATOM C CD1 B TYR A 1 116 ? 38.750 -45.146 -32.284 0.60 45.80 ? 126 TYR A CD1 1 ? ? +1203 ATOM C CD2 A TYR A 1 116 ? 39.647 -43.135 -31.403 0.40 45.76 ? 126 TYR A CD2 1 ? ? +1204 ATOM C CD2 B TYR A 1 116 ? 39.661 -43.133 -31.409 0.60 45.80 ? 126 TYR A CD2 1 ? ? +1205 ATOM C CE1 A TYR A 1 116 ? 37.867 -45.235 -31.209 0.40 45.59 ? 126 TYR A CE1 1 ? ? +1206 ATOM C CE1 B TYR A 1 116 ? 37.854 -45.211 -31.222 0.60 45.61 ? 126 TYR A CE1 1 ? ? +1207 ATOM C CE2 A TYR A 1 116 ? 38.760 -43.198 -30.333 0.40 45.57 ? 126 TYR A CE2 1 ? ? +1208 ATOM C CE2 B TYR A 1 116 ? 38.769 -43.186 -30.340 0.60 45.61 ? 126 TYR A CE2 1 ? ? +1209 ATOM C CZ A TYR A 1 116 ? 37.869 -44.250 -30.242 0.40 45.49 ? 126 TYR A CZ 1 ? ? +1210 ATOM C CZ B TYR A 1 116 ? 37.863 -44.227 -30.253 0.60 45.51 ? 126 TYR A CZ 1 ? ? +1211 ATOM O OH A TYR A 1 116 ? 36.997 -44.322 -29.180 0.40 45.34 ? 126 TYR A OH 1 ? ? +1212 ATOM O OH B TYR A 1 116 ? 36.994 -44.285 -29.187 0.60 45.38 ? 126 TYR A OH 1 ? ? +1213 ATOM N N . MET A 1 117 ? 41.459 -46.914 -34.435 1.00 46.90 ? 127 MET A N 1 ? ? +1214 ATOM C CA . MET A 1 117 ? 41.293 -48.358 -34.553 1.00 47.13 ? 127 MET A CA 1 ? ? +1215 ATOM C CB . MET A 1 117 ? 40.955 -48.755 -36.008 1.00 47.08 ? 127 MET A CB 1 ? ? +1216 ATOM C CG . MET A 1 117 ? 40.736 -50.265 -36.208 1.00 47.42 ? 127 MET A CG 1 ? ? +1217 ATOM S SD . MET A 1 117 ? 40.089 -50.732 -37.862 1.00 47.36 ? 127 MET A SD 1 ? ? +1218 ATOM C CE . MET A 1 117 ? 41.641 -50.396 -38.822 1.00 47.80 ? 127 MET A CE 1 ? ? +1219 ATOM C C . MET A 1 117 ? 42.557 -49.099 -34.118 1.00 47.75 ? 127 MET A C 1 ? ? +1220 ATOM O O . MET A 1 117 ? 42.473 -50.088 -33.397 1.00 48.01 ? 127 MET A O 1 ? ? +1221 ATOM N N . GLY A 1 118 ? 43.729 -48.639 -34.583 1.00 48.07 ? 128 GLY A N 1 ? ? +1222 ATOM C CA . GLY A 1 118 ? 45.004 -49.219 -34.165 1.00 48.75 ? 128 GLY A CA 1 ? ? +1223 ATOM C C . GLY A 1 118 ? 45.188 -49.117 -32.653 1.00 48.91 ? 128 GLY A C 1 ? ? +1224 ATOM O O . GLY A 1 118 ? 45.620 -50.067 -32.016 1.00 49.38 ? 128 GLY A O 1 ? ? +1225 ATOM N N . ARG A 1 119 ? 44.833 -47.954 -32.093 1.00 48.54 ? 129 ARG A N 1 ? ? +1226 ATOM C CA . ARG A 1 119 ? 44.892 -47.701 -30.662 1.00 48.64 ? 129 ARG A CA 1 ? ? +1227 ATOM C CB . ARG A 1 119 ? 44.528 -46.230 -30.393 1.00 48.19 ? 129 ARG A CB 1 ? ? +1228 ATOM C CG . ARG A 1 119 ? 44.561 -45.800 -28.942 1.00 48.26 ? 129 ARG A CG 1 ? ? +1229 ATOM C CD . ARG A 1 119 ? 44.627 -44.271 -28.853 1.00 47.98 ? 129 ARG A CD 1 ? ? +1230 ATOM N NE . ARG A 1 119 ? 44.304 -43.753 -27.525 1.00 47.89 ? 129 ARG A NE 1 ? ? +1231 ATOM C CZ . ARG A 1 119 ? 43.069 -43.502 -27.076 1.00 47.39 ? 129 ARG A CZ 1 ? ? +1232 ATOM N NH1 . ARG A 1 119 ? 41.997 -43.744 -27.820 1.00 46.93 ? 129 ARG A NH1 1 ? ? +1233 ATOM N NH2 . ARG A 1 119 ? 42.911 -42.988 -25.858 1.00 47.38 ? 129 ARG A NH2 1 ? ? +1234 ATOM C C . ARG A 1 119 ? 44.036 -48.635 -29.806 1.00 48.59 ? 129 ARG A C 1 ? ? +1235 ATOM O O . ARG A 1 119 ? 44.417 -48.948 -28.679 1.00 48.95 ? 129 ARG A O 1 ? ? +1236 ATOM N N A GLN A 1 120 ? 42.881 -49.059 -30.344 0.40 48.18 ? 130 GLN A N 1 ? ? +1237 ATOM N N B GLN A 1 120 ? 42.880 -49.059 -30.342 0.60 48.18 ? 130 GLN A N 1 ? ? +1238 ATOM C CA A GLN A 1 120 ? 42.010 -50.010 -29.673 0.40 48.16 ? 130 GLN A CA 1 ? ? +1239 ATOM C CA B GLN A 1 120 ? 42.012 -50.012 -29.669 0.60 48.16 ? 130 GLN A CA 1 ? ? +1240 ATOM C C A GLN A 1 120 ? 42.686 -51.373 -29.554 0.40 48.79 ? 130 GLN A C 1 ? ? +1241 ATOM C C B GLN A 1 120 ? 42.690 -51.374 -29.552 0.60 48.79 ? 130 GLN A C 1 ? ? +1242 ATOM O O A GLN A 1 120 ? 42.608 -52.019 -28.513 0.40 49.05 ? 130 GLN A O 1 ? ? +1243 ATOM O O B GLN A 1 120 ? 42.613 -52.023 -28.512 0.60 49.06 ? 130 GLN A O 1 ? ? +1244 ATOM C CB A GLN A 1 120 ? 40.668 -50.154 -30.417 0.40 47.63 ? 130 GLN A CB 1 ? ? +1245 ATOM C CB B GLN A 1 120 ? 40.674 -50.160 -30.412 0.60 47.63 ? 130 GLN A CB 1 ? ? +1246 ATOM C CG A GLN A 1 120 ? 39.780 -48.927 -30.301 0.40 47.02 ? 130 GLN A CG 1 ? ? +1247 ATOM C CG B GLN A 1 120 ? 39.731 -49.007 -30.167 0.60 47.04 ? 130 GLN A CG 1 ? ? +1248 ATOM C CD A GLN A 1 120 ? 38.403 -49.136 -30.892 0.40 46.56 ? 130 GLN A CD 1 ? ? +1249 ATOM C CD B GLN A 1 120 ? 38.392 -49.212 -30.829 0.60 46.58 ? 130 GLN A CD 1 ? ? +1250 ATOM O OE1 A GLN A 1 120 ? 38.251 -49.456 -32.075 0.40 46.48 ? 130 GLN A OE1 1 ? ? +1251 ATOM O OE1 B GLN A 1 120 ? 38.284 -49.887 -31.851 0.60 46.62 ? 130 GLN A OE1 1 ? ? +1252 ATOM N NE2 A GLN A 1 120 ? 37.378 -48.950 -30.085 0.40 46.26 ? 130 GLN A NE2 1 ? ? +1253 ATOM N NE2 B GLN A 1 120 ? 37.356 -48.619 -30.280 0.60 46.15 ? 130 GLN A NE2 1 ? ? +1254 ATOM N N . TRP A 1 121 ? 43.334 -51.809 -30.638 1.00 49.03 ? 131 TRP A N 1 ? ? +1255 ATOM C CA . TRP A 1 121 ? 44.171 -53.000 -30.588 1.00 49.72 ? 131 TRP A CA 1 ? ? +1256 ATOM C CB . TRP A 1 121 ? 44.827 -53.396 -31.917 1.00 49.99 ? 131 TRP A CB 1 ? ? +1257 ATOM C CG . TRP A 1 121 ? 45.932 -54.336 -31.604 1.00 50.80 ? 131 TRP A CG 1 ? ? +1258 ATOM C CD1 . TRP A 1 121 ? 45.823 -55.658 -31.290 1.00 51.19 ? 131 TRP A CD1 1 ? ? +1259 ATOM N NE1 . TRP A 1 121 ? 47.061 -56.165 -30.948 1.00 51.95 ? 131 TRP A NE1 1 ? ? +1260 ATOM C CE2 . TRP A 1 121 ? 47.989 -55.153 -31.008 1.00 52.05 ? 131 TRP A CE2 1 ? ? +1261 ATOM C CZ2 . TRP A 1 121 ? 49.350 -55.168 -30.754 1.00 52.75 ? 131 TRP A CZ2 1 ? ? +1262 ATOM C CH2 . TRP A 1 121 ? 50.025 -53.987 -30.876 1.00 52.74 ? 131 TRP A CH2 1 ? ? +1263 ATOM C CZ3 . TRP A 1 121 ? 49.375 -52.810 -31.253 1.00 52.05 ? 131 TRP A CZ3 1 ? ? +1264 ATOM C CE3 . TRP A 1 121 ? 48.030 -52.795 -31.523 1.00 51.37 ? 131 TRP A CE3 1 ? ? +1265 ATOM C CD2 . TRP A 1 121 ? 47.309 -53.983 -31.397 1.00 51.37 ? 131 TRP A CD2 1 ? ? +1266 ATOM C C . TRP A 1 121 ? 45.283 -52.821 -29.555 1.00 50.28 ? 131 TRP A C 1 ? ? +1267 ATOM O O . TRP A 1 121 ? 45.519 -53.709 -28.746 1.00 50.74 ? 131 TRP A O 1 ? ? +1268 ATOM N N . GLU A 1 122 ? 45.953 -51.666 -29.583 1.00 50.31 ? 132 GLU A N 1 ? ? +1269 ATOM C CA . GLU A 1 122 ? 47.167 -51.470 -28.803 1.00 50.96 ? 132 GLU A CA 1 ? ? +1270 ATOM C CB . GLU A 1 122 ? 47.817 -50.127 -29.126 1.00 50.87 ? 132 GLU A CB 1 ? ? +1271 ATOM C CG . GLU A 1 122 ? 49.224 -49.995 -28.545 1.00 51.58 ? 132 GLU A CG 1 ? ? +1272 ATOM C CD . GLU A 1 122 ? 49.882 -48.672 -28.870 1.00 51.55 ? 132 GLU A CD 1 ? ? +1273 ATOM O OE1 . GLU A 1 122 ? 49.418 -48.006 -29.825 1.00 51.09 ? 132 GLU A OE1 1 ? ? +1274 ATOM O OE2 . GLU A 1 122 ? 50.823 -48.278 -28.146 1.00 52.00 ? 132 GLU A OE2 1 ? ? +1275 ATOM C C . GLU A 1 122 ? 46.923 -51.583 -27.301 1.00 51.14 ? 132 GLU A C 1 ? ? +1276 ATOM O O . GLU A 1 122 ? 47.661 -52.286 -26.604 1.00 51.79 ? 132 GLU A O 1 ? ? +1277 ATOM N N . LEU A 1 123 ? 45.883 -50.900 -26.808 1.00 50.62 ? 133 LEU A N 1 ? ? +1278 ATOM C CA . LEU A 1 123 ? 45.583 -50.940 -25.386 1.00 50.75 ? 133 LEU A CA 1 ? ? +1279 ATOM C CB . LEU A 1 123 ? 44.482 -49.942 -25.008 1.00 50.11 ? 133 LEU A CB 1 ? ? +1280 ATOM C CG . LEU A 1 123 ? 44.169 -49.852 -23.512 1.00 50.22 ? 133 LEU A CG 1 ? ? +1281 ATOM C CD1 . LEU A 1 123 ? 45.411 -49.516 -22.688 1.00 50.80 ? 133 LEU A CD1 1 ? ? +1282 ATOM C CD2 . LEU A 1 123 ? 43.104 -48.811 -23.245 1.00 49.57 ? 133 LEU A CD2 1 ? ? +1283 ATOM C C . LEU A 1 123 ? 45.178 -52.342 -24.938 1.00 51.06 ? 133 LEU A C 1 ? ? +1284 ATOM O O . LEU A 1 123 ? 45.502 -52.752 -23.827 1.00 51.49 ? 133 LEU A O 1 ? ? +1285 ATOM N N A SER A 1 124 ? 44.476 -53.075 -25.811 0.40 50.85 ? 134 SER A N 1 ? ? +1286 ATOM N N B SER A 1 124 ? 44.475 -53.071 -25.813 0.60 50.85 ? 134 SER A N 1 ? ? +1287 ATOM C CA A SER A 1 124 ? 44.030 -54.420 -25.486 0.40 51.12 ? 134 SER A CA 1 ? ? +1288 ATOM C CA B SER A 1 124 ? 44.030 -54.416 -25.491 0.60 51.12 ? 134 SER A CA 1 ? ? +1289 ATOM C C A SER A 1 124 ? 45.238 -55.319 -25.238 0.40 51.94 ? 134 SER A C 1 ? ? +1290 ATOM C C B SER A 1 124 ? 45.237 -55.315 -25.238 0.60 51.94 ? 134 SER A C 1 ? ? +1291 ATOM O O A SER A 1 124 ? 45.212 -56.170 -24.353 0.40 52.34 ? 134 SER A O 1 ? ? +1292 ATOM O O B SER A 1 124 ? 45.210 -56.164 -24.352 0.60 52.33 ? 134 SER A O 1 ? ? +1293 ATOM C CB A SER A 1 124 ? 43.135 -54.992 -26.585 0.40 50.77 ? 134 SER A CB 1 ? ? +1294 ATOM C CB B SER A 1 124 ? 43.137 -54.984 -26.594 0.60 50.76 ? 134 SER A CB 1 ? ? +1295 ATOM O OG A SER A 1 124 ? 43.864 -55.392 -27.735 0.40 51.00 ? 134 SER A OG 1 ? ? +1296 ATOM O OG B SER A 1 124 ? 43.870 -55.395 -27.738 0.60 51.00 ? 134 SER A OG 1 ? ? +1297 ATOM N N . TYR A 1 125 ? 46.298 -55.103 -26.020 1.00 52.23 ? 135 TYR A N 1 ? ? +1298 ATOM C CA . TYR A 1 125 ? 47.546 -55.822 -25.830 1.00 53.09 ? 135 TYR A CA 1 ? ? +1299 ATOM C CB . TYR A 1 125 ? 48.490 -55.519 -26.981 1.00 53.26 ? 135 TYR A CB 1 ? ? +1300 ATOM C CG . TYR A 1 125 ? 49.704 -56.422 -27.035 1.00 54.10 ? 135 TYR A CG 1 ? ? +1301 ATOM C CD1 . TYR A 1 125 ? 49.567 -57.788 -27.200 1.00 54.44 ? 135 TYR A CD1 1 ? ? +1302 ATOM C CD2 . TYR A 1 125 ? 50.986 -55.904 -26.927 1.00 54.58 ? 135 TYR A CD2 1 ? ? +1303 ATOM C CE1 . TYR A 1 125 ? 50.671 -58.615 -27.264 1.00 55.25 ? 135 TYR A CE1 1 ? ? +1304 ATOM C CE2 . TYR A 1 125 ? 52.097 -56.724 -26.966 1.00 55.42 ? 135 TYR A CE2 1 ? ? +1305 ATOM C CZ . TYR A 1 125 ? 51.941 -58.083 -27.128 1.00 55.74 ? 135 TYR A CZ 1 ? ? +1306 ATOM O OH . TYR A 1 125 ? 53.040 -58.907 -27.162 1.00 56.55 ? 135 TYR A OH 1 ? ? +1307 ATOM C C . TYR A 1 125 ? 48.188 -55.475 -24.486 1.00 53.57 ? 135 TYR A C 1 ? ? +1308 ATOM O O . TYR A 1 125 ? 48.616 -56.365 -23.760 1.00 54.17 ? 135 TYR A O 1 ? ? +1309 ATOM N N . ARG A 1 126 ? 48.206 -54.182 -24.137 1.00 53.37 ? 136 ARG A N 1 ? ? +1310 ATOM C CA . ARG A 1 126 ? 48.780 -53.735 -22.876 1.00 53.84 ? 136 ARG A CA 1 ? ? +1311 ATOM C CB . ARG A 1 126 ? 48.853 -52.201 -22.791 1.00 53.47 ? 136 ARG A CB 1 ? ? +1312 ATOM C CG . ARG A 1 126 ? 49.361 -51.473 -24.019 1.00 53.34 ? 136 ARG A CG 1 ? ? +1313 ATOM C CD . ARG A 1 126 ? 50.764 -51.857 -24.389 1.00 54.12 ? 136 ARG A CD 1 ? ? +1314 ATOM N NE . ARG A 1 126 ? 51.262 -51.023 -25.478 1.00 54.03 ? 136 ARG A NE 1 ? ? +1315 ATOM C CZ . ARG A 1 126 ? 52.064 -51.440 -26.454 1.00 54.46 ? 136 ARG A CZ 1 ? ? +1316 ATOM N NH1 . ARG A 1 126 ? 52.501 -52.687 -26.507 1.00 55.04 ? 136 ARG A NH1 1 ? ? +1317 ATOM N NH2 . ARG A 1 126 ? 52.444 -50.579 -27.396 1.00 54.31 ? 136 ARG A NH2 1 ? ? +1318 ATOM C C . ARG A 1 126 ? 48.021 -54.220 -21.638 1.00 53.97 ? 136 ARG A C 1 ? ? +1319 ATOM O O . ARG A 1 126 ? 48.625 -54.401 -20.589 1.00 54.54 ? 136 ARG A O 1 ? ? +1320 ATOM N N A LEU A 1 127 ? 46.700 -54.418 -21.765 0.40 53.48 ? 137 LEU A N 1 ? ? +1321 ATOM N N B LEU A 1 127 ? 46.700 -54.414 -21.765 0.60 53.46 ? 137 LEU A N 1 ? ? +1322 ATOM C CA A LEU A 1 127 ? 45.868 -54.811 -20.637 0.40 53.53 ? 137 LEU A CA 1 ? ? +1323 ATOM C CA B LEU A 1 127 ? 45.873 -54.832 -20.642 0.60 53.50 ? 137 LEU A CA 1 ? ? +1324 ATOM C C A LEU A 1 127 ? 45.663 -56.319 -20.514 0.40 54.02 ? 137 LEU A C 1 ? ? +1325 ATOM C C B LEU A 1 127 ? 45.668 -56.341 -20.526 0.60 53.98 ? 137 LEU A C 1 ? ? +1326 ATOM O O A LEU A 1 127 ? 45.065 -56.775 -19.545 0.40 54.16 ? 137 LEU A O 1 ? ? +1327 ATOM O O B LEU A 1 127 ? 45.051 -56.794 -19.568 0.60 54.11 ? 137 LEU A O 1 ? ? +1328 ATOM C CB A LEU A 1 127 ? 44.491 -54.147 -20.738 0.40 52.73 ? 137 LEU A CB 1 ? ? +1329 ATOM C CB B LEU A 1 127 ? 44.491 -54.166 -20.731 0.60 52.71 ? 137 LEU A CB 1 ? ? +1330 ATOM C CG A LEU A 1 127 ? 44.486 -52.633 -20.651 0.40 52.30 ? 137 LEU A CG 1 ? ? +1331 ATOM C CG B LEU A 1 127 ? 44.477 -52.647 -20.664 0.60 52.27 ? 137 LEU A CG 1 ? ? +1332 ATOM C CD1 A LEU A 1 127 ? 43.086 -52.107 -20.481 0.40 51.62 ? 137 LEU A CD1 1 ? ? +1333 ATOM C CD1 B LEU A 1 127 ? 43.071 -52.130 -20.502 0.60 51.59 ? 137 LEU A CD1 1 ? ? +1334 ATOM C CD2 A LEU A 1 127 ? 45.349 -52.147 -19.520 0.40 52.75 ? 137 LEU A CD2 1 ? ? +1335 ATOM C CD2 B LEU A 1 127 ? 45.337 -52.129 -19.537 0.60 52.71 ? 137 LEU A CD2 1 ? ? +1336 ATOM N N A GLY A 1 128 ? 46.152 -57.088 -21.490 0.40 54.34 ? 138 GLY A N 1 ? ? +1337 ATOM N N B GLY A 1 128 ? 46.177 -57.117 -21.488 0.60 54.30 ? 138 GLY A N 1 ? ? +1338 ATOM C CA A GLY A 1 128 ? 46.026 -58.536 -21.444 0.40 54.86 ? 138 GLY A CA 1 ? ? +1339 ATOM C CA B GLY A 1 128 ? 46.025 -58.564 -21.455 0.60 54.79 ? 138 GLY A CA 1 ? ? +1340 ATOM C C A GLY A 1 128 ? 44.645 -59.007 -21.894 0.40 54.42 ? 138 GLY A C 1 ? ? +1341 ATOM C C B GLY A 1 128 ? 44.634 -59.012 -21.904 0.60 54.34 ? 138 GLY A C 1 ? ? +1342 ATOM O O A GLY A 1 128 ? 44.149 -60.047 -21.458 0.40 54.70 ? 138 GLY A O 1 ? ? +1343 ATOM O O B GLY A 1 128 ? 44.118 -60.037 -21.453 0.60 54.60 ? 138 GLY A O 1 ? ? +1344 ATOM N N A MET A 1 129 ? 44.042 -58.214 -22.781 0.40 53.80 ? 139 MET A N 1 ? ? +1345 ATOM N N B MET A 1 129 ? 44.056 -58.228 -22.817 0.60 53.70 ? 139 MET A N 1 ? ? +1346 ATOM C CA A MET A 1 129 ? 42.734 -58.508 -23.332 0.40 53.35 ? 139 MET A CA 1 ? ? +1347 ATOM C CA B MET A 1 129 ? 42.747 -58.497 -23.377 0.60 53.23 ? 139 MET A CA 1 ? ? +1348 ATOM C C A MET A 1 129 ? 42.865 -59.288 -24.633 0.40 53.46 ? 139 MET A C 1 ? ? +1349 ATOM C C B MET A 1 129 ? 42.876 -59.264 -24.686 0.60 53.32 ? 139 MET A C 1 ? ? +1350 ATOM O O A MET A 1 129 ? 43.953 -59.386 -25.197 0.40 53.81 ? 139 MET A O 1 ? ? +1351 ATOM O O B MET A 1 129 ? 43.960 -59.343 -25.261 0.60 53.68 ? 139 MET A O 1 ? ? +1352 ATOM C CB A MET A 1 129 ? 42.001 -57.202 -23.638 0.40 52.62 ? 139 MET A CB 1 ? ? +1353 ATOM C CB B MET A 1 129 ? 42.033 -57.174 -23.675 0.60 52.51 ? 139 MET A CB 1 ? ? +1354 ATOM C CG A MET A 1 129 ? 41.269 -56.619 -22.472 0.40 52.41 ? 139 MET A CG 1 ? ? +1355 ATOM C CG B MET A 1 129 ? 41.321 -56.587 -22.503 0.60 52.30 ? 139 MET A CG 1 ? ? +1356 ATOM S SD A MET A 1 129 ? 40.828 -54.910 -22.812 0.40 51.65 ? 139 MET A SD 1 ? ? +1357 ATOM S SD B MET A 1 129 ? 40.887 -54.882 -22.854 0.60 51.55 ? 139 MET A SD 1 ? ? +1358 ATOM C CE A MET A 1 129 ? 39.604 -55.153 -24.070 0.40 51.10 ? 139 MET A CE 1 ? ? +1359 ATOM C CE B MET A 1 129 ? 39.639 -55.131 -24.066 0.60 51.01 ? 139 MET A CE 1 ? ? +1360 ATOM N N A ARG A 1 130 ? 41.731 -59.806 -25.111 0.40 53.15 ? 140 ARG A N 1 ? ? +1361 ATOM N N B ARG A 1 130 ? 41.741 -59.780 -25.163 0.60 53.01 ? 140 ARG A N 1 ? ? +1362 ATOM C CA A ARG A 1 130 ? 41.644 -60.348 -26.455 0.40 53.09 ? 140 ARG A CA 1 ? ? +1363 ATOM C CA B ARG A 1 130 ? 41.655 -60.329 -26.505 0.60 52.96 ? 140 ARG A CA 1 ? ? +1364 ATOM C C A ARG A 1 130 ? 41.547 -59.162 -27.411 0.40 52.43 ? 140 ARG A C 1 ? ? +1365 ATOM C C B ARG A 1 130 ? 41.550 -59.152 -27.472 0.60 52.28 ? 140 ARG A C 1 ? ? +1366 ATOM O O A ARG A 1 130 ? 41.139 -58.078 -27.009 0.40 51.98 ? 140 ARG A O 1 ? ? +1367 ATOM O O B ARG A 1 130 ? 41.097 -58.079 -27.092 0.60 51.82 ? 140 ARG A O 1 ? ? +1368 ATOM C CB A ARG A 1 130 ? 40.471 -61.333 -26.564 0.40 53.08 ? 140 ARG A CB 1 ? ? +1369 ATOM C CB B ARG A 1 130 ? 40.490 -61.325 -26.603 0.60 52.98 ? 140 ARG A CB 1 ? ? +1370 ATOM C CG A ARG A 1 130 ? 40.863 -62.746 -26.127 0.40 53.86 ? 140 ARG A CG 1 ? ? +1371 ATOM C CG B ARG A 1 130 ? 40.868 -62.718 -26.095 0.60 53.79 ? 140 ARG A CG 1 ? ? +1372 ATOM C CD A ARG A 1 130 ? 39.726 -63.465 -25.430 0.40 53.92 ? 140 ARG A CD 1 ? ? +1373 ATOM C CD B ARG A 1 130 ? 39.692 -63.416 -25.424 0.60 53.83 ? 140 ARG A CD 1 ? ? +1374 ATOM N NE A ARG A 1 130 ? 38.547 -63.594 -26.276 0.40 53.46 ? 140 ARG A NE 1 ? ? +1375 ATOM N NE B ARG A 1 130 ? 38.535 -63.548 -26.301 0.60 53.39 ? 140 ARG A NE 1 ? ? +1376 ATOM C CZ A ARG A 1 130 ? 38.437 -64.449 -27.281 0.40 53.63 ? 140 ARG A CZ 1 ? ? +1377 ATOM C CZ B ARG A 1 130 ? 38.422 -64.429 -27.287 0.60 53.59 ? 140 ARG A CZ 1 ? ? +1378 ATOM N NH1 A ARG A 1 130 ? 39.406 -65.305 -27.570 0.40 54.24 ? 140 ARG A NH1 1 ? ? +1379 ATOM N NH1 B ARG A 1 130 ? 39.371 -65.321 -27.539 0.60 54.22 ? 140 ARG A NH1 1 ? ? +1380 ATOM N NH2 A ARG A 1 130 ? 37.323 -64.456 -28.008 0.40 53.21 ? 140 ARG A NH2 1 ? ? +1381 ATOM N NH2 B ARG A 1 130 ? 37.319 -64.424 -28.033 0.60 53.17 ? 140 ARG A NH2 1 ? ? +1382 ATOM N N A PRO A 1 131 ? 41.972 -59.315 -28.684 0.40 52.41 ? 141 PRO A N 1 ? ? +1383 ATOM N N B PRO A 1 131 ? 42.011 -59.297 -28.735 0.60 52.24 ? 141 PRO A N 1 ? ? +1384 ATOM C CA A PRO A 1 131 ? 42.308 -58.164 -29.527 0.40 52.01 ? 141 PRO A CA 1 ? ? +1385 ATOM C CA B PRO A 1 131 ? 42.348 -58.142 -29.571 0.60 51.82 ? 141 PRO A CA 1 ? ? +1386 ATOM C C A PRO A 1 131 ? 41.247 -57.547 -30.434 0.40 51.27 ? 141 PRO A C 1 ? ? +1387 ATOM C C B PRO A 1 131 ? 41.268 -57.501 -30.437 0.60 51.07 ? 141 PRO A C 1 ? ? +1388 ATOM O O A PRO A 1 131 ? 41.501 -56.528 -31.074 0.40 50.96 ? 141 PRO A O 1 ? ? +1389 ATOM O O B PRO A 1 131 ? 41.480 -56.423 -30.993 0.60 50.74 ? 141 PRO A O 1 ? ? +1390 ATOM C CB A PRO A 1 131 ? 43.411 -58.741 -30.420 0.40 52.51 ? 141 PRO A CB 1 ? ? +1391 ATOM C CB B PRO A 1 131 ? 43.421 -58.726 -30.492 0.60 52.32 ? 141 PRO A CB 1 ? ? +1392 ATOM C CG A PRO A 1 131 ? 43.081 -60.232 -30.541 0.40 52.88 ? 141 PRO A CG 1 ? ? +1393 ATOM C CG B PRO A 1 131 ? 43.066 -60.185 -30.635 0.60 52.67 ? 141 PRO A CG 1 ? ? +1394 ATOM C CD A PRO A 1 131 ? 42.255 -60.609 -29.330 0.40 52.88 ? 141 PRO A CD 1 ? ? +1395 ATOM C CD B PRO A 1 131 ? 42.316 -60.584 -29.386 0.60 52.71 ? 141 PRO A CD 1 ? ? +1396 ATOM N N A TRP A 1 132 ? 40.058 -58.150 -30.494 0.40 51.01 ? 142 TRP A N 1 ? ? +1397 ATOM N N B TRP A 1 132 ? 40.106 -58.149 -30.541 0.60 50.82 ? 142 TRP A N 1 ? ? +1398 ATOM C CA A TRP A 1 132 ? 39.203 -57.936 -31.649 0.40 50.49 ? 142 TRP A CA 1 ? ? +1399 ATOM C CA B TRP A 1 132 ? 39.245 -57.930 -31.692 0.60 50.29 ? 142 TRP A CA 1 ? ? +1400 ATOM C C A TRP A 1 132 ? 38.152 -56.832 -31.577 0.40 49.72 ? 142 TRP A C 1 ? ? +1401 ATOM C C B TRP A 1 132 ? 38.179 -56.843 -31.595 0.60 49.51 ? 142 TRP A C 1 ? ? +1402 ATOM O O A TRP A 1 132 ? 37.330 -56.729 -32.479 0.40 49.37 ? 142 TRP A O 1 ? ? +1403 ATOM O O B TRP A 1 132 ? 37.351 -56.743 -32.490 0.60 49.15 ? 142 TRP A O 1 ? ? +1404 ATOM C CB A TRP A 1 132 ? 38.521 -59.243 -32.010 0.40 50.71 ? 142 TRP A CB 1 ? ? +1405 ATOM C CB B TRP A 1 132 ? 38.585 -59.253 -32.071 0.60 50.52 ? 142 TRP A CB 1 ? ? +1406 ATOM C CG A TRP A 1 132 ? 39.498 -60.275 -32.469 0.40 51.35 ? 142 TRP A CG 1 ? ? +1407 ATOM C CG B TRP A 1 132 ? 39.574 -60.287 -32.514 0.60 51.19 ? 142 TRP A CG 1 ? ? +1408 ATOM C CD1 A TRP A 1 132 ? 40.464 -60.126 -33.422 0.40 51.53 ? 142 TRP A CD1 1 ? ? +1409 ATOM C CD1 B TRP A 1 132 ? 40.549 -60.146 -33.460 0.60 51.36 ? 142 TRP A CD1 1 ? ? +1410 ATOM C CD2 A TRP A 1 132 ? 39.604 -61.616 -31.995 0.40 51.95 ? 142 TRP A CD2 1 ? ? +1411 ATOM C CD2 B TRP A 1 132 ? 39.667 -61.627 -32.037 0.60 51.77 ? 142 TRP A CD2 1 ? ? +1412 ATOM N NE1 A TRP A 1 132 ? 41.158 -61.297 -33.576 0.40 52.17 ? 142 TRP A NE1 1 ? ? +1413 ATOM N NE1 B TRP A 1 132 ? 41.239 -61.319 -33.601 0.60 52.01 ? 142 TRP A NE1 1 ? ? +1414 ATOM C CE2 A TRP A 1 132 ? 40.653 -62.231 -32.709 0.40 52.43 ? 142 TRP A CE2 1 ? ? +1415 ATOM C CE2 B TRP A 1 132 ? 40.722 -62.248 -32.738 0.60 52.26 ? 142 TRP A CE2 1 ? ? +1416 ATOM C CE3 A TRP A 1 132 ? 38.904 -62.366 -31.044 0.40 52.13 ? 142 TRP A CE3 1 ? ? +1417 ATOM C CE3 B TRP A 1 132 ? 38.949 -62.374 -31.094 0.60 51.96 ? 142 TRP A CE3 1 ? ? +1418 ATOM C CZ2 A TRP A 1 132 ? 41.023 -63.555 -32.493 0.40 53.09 ? 142 TRP A CZ2 1 ? ? +1419 ATOM C CZ2 B TRP A 1 132 ? 41.084 -63.574 -32.515 0.60 52.92 ? 142 TRP A CZ2 1 ? ? +1420 ATOM C CZ3 A TRP A 1 132 ? 39.271 -63.678 -30.835 0.40 52.77 ? 142 TRP A CZ3 1 ? ? +1421 ATOM C CZ3 B TRP A 1 132 ? 39.306 -63.690 -30.880 0.60 52.60 ? 142 TRP A CZ3 1 ? ? +1422 ATOM C CH2 A TRP A 1 132 ? 40.326 -64.258 -31.551 0.40 53.24 ? 142 TRP A CH2 1 ? ? +1423 ATOM C CH2 B TRP A 1 132 ? 40.373 -64.275 -31.579 0.60 53.08 ? 142 TRP A CH2 1 ? ? +1424 ATOM N N A ILE A 1 133 ? 38.194 -55.982 -30.549 0.40 49.50 ? 143 ILE A N 1 ? ? +1425 ATOM N N B ILE A 1 133 ? 38.219 -55.998 -30.561 0.60 49.28 ? 143 ILE A N 1 ? ? +1426 ATOM C CA A ILE A 1 133 ? 37.268 -54.861 -30.493 0.40 48.83 ? 143 ILE A CA 1 ? ? +1427 ATOM C CA B ILE A 1 133 ? 37.312 -54.859 -30.509 0.60 48.61 ? 143 ILE A CA 1 ? ? +1428 ATOM C C A ILE A 1 133 ? 37.473 -53.943 -31.698 0.40 48.42 ? 143 ILE A C 1 ? ? +1429 ATOM C C B ILE A 1 133 ? 37.527 -53.936 -31.709 0.60 48.21 ? 143 ILE A C 1 ? ? +1430 ATOM O O A ILE A 1 133 ? 36.517 -53.401 -32.253 0.40 47.93 ? 143 ILE A O 1 ? ? +1431 ATOM O O B ILE A 1 133 ? 36.574 -53.385 -32.258 0.60 47.72 ? 143 ILE A O 1 ? ? +1432 ATOM C CB A ILE A 1 133 ? 37.376 -54.102 -29.157 0.40 48.79 ? 143 ILE A CB 1 ? ? +1433 ATOM C CB B ILE A 1 133 ? 37.417 -54.104 -29.166 0.60 48.56 ? 143 ILE A CB 1 ? ? +1434 ATOM C CG1 A ILE A 1 133 ? 36.685 -54.885 -28.029 0.40 48.98 ? 143 ILE A CG1 1 ? ? +1435 ATOM C CG1 B ILE A 1 133 ? 36.688 -54.878 -28.052 0.60 48.73 ? 143 ILE A CG1 1 ? ? +1436 ATOM C CG2 A ILE A 1 133 ? 36.806 -52.703 -29.264 0.40 48.21 ? 143 ILE A CG2 1 ? ? +1437 ATOM C CG2 B ILE A 1 133 ? 36.879 -52.691 -29.261 0.60 47.99 ? 143 ILE A CG2 1 ? ? +1438 ATOM C CD1 A ILE A 1 133 ? 36.803 -54.231 -26.677 0.40 48.99 ? 143 ILE A CD1 1 ? ? +1439 ATOM C CD1 B ILE A 1 133 ? 36.884 -54.289 -26.660 0.60 48.81 ? 143 ILE A CD1 1 ? ? +1440 ATOM N N A CYS A 1 134 ? 38.729 -53.813 -32.126 0.40 48.64 ? 144 CYS A N 1 ? ? +1441 ATOM N N B CYS A 1 134 ? 38.783 -53.800 -32.133 0.60 48.44 ? 144 CYS A N 1 ? ? +1442 ATOM C CA A CYS A 1 134 ? 39.083 -52.958 -33.244 0.40 48.35 ? 144 CYS A CA 1 ? ? +1443 ATOM C CA B CYS A 1 134 ? 39.135 -52.965 -33.268 0.60 48.17 ? 144 CYS A CA 1 ? ? +1444 ATOM C C A CYS A 1 134 ? 38.482 -53.480 -34.543 0.40 48.15 ? 144 CYS A C 1 ? ? +1445 ATOM C C B CYS A 1 134 ? 38.508 -53.478 -34.559 0.60 47.96 ? 144 CYS A C 1 ? ? +1446 ATOM O O A CYS A 1 134 ? 38.282 -52.724 -35.489 0.40 47.82 ? 144 CYS A O 1 ? ? +1447 ATOM O O B CYS A 1 134 ? 38.251 -52.702 -35.474 0.60 47.61 ? 144 CYS A O 1 ? ? +1448 ATOM C CB A CYS A 1 134 ? 40.603 -52.838 -33.363 0.40 48.83 ? 144 CYS A CB 1 ? ? +1449 ATOM C CB B CYS A 1 134 ? 40.658 -52.869 -33.407 0.60 48.66 ? 144 CYS A CB 1 ? ? +1450 ATOM S SG A CYS A 1 134 ? 41.416 -54.350 -33.933 0.40 49.49 ? 144 CYS A SG 1 ? ? +1451 ATOM S SG B CYS A 1 134 ? 41.441 -54.400 -33.960 0.60 49.31 ? 144 CYS A SG 1 ? ? +1452 ATOM N N A VAL A 1 135 ? 38.233 -54.788 -34.594 0.40 48.38 ? 145 VAL A N 1 ? ? +1453 ATOM N N B VAL A 1 135 ? 38.298 -54.793 -34.638 0.60 48.22 ? 145 VAL A N 1 ? ? +1454 ATOM C CA A VAL A 1 135 ? 37.649 -55.396 -35.776 0.40 48.27 ? 145 VAL A CA 1 ? ? +1455 ATOM C CA B VAL A 1 135 ? 37.676 -55.400 -35.803 0.60 48.12 ? 145 VAL A CA 1 ? ? +1456 ATOM C C A VAL A 1 135 ? 36.186 -54.984 -35.903 0.40 47.67 ? 145 VAL A C 1 ? ? +1457 ATOM C C B VAL A 1 135 ? 36.208 -54.991 -35.914 0.60 47.53 ? 145 VAL A C 1 ? ? +1458 ATOM O O A VAL A 1 135 ? 35.667 -54.870 -37.011 0.40 47.43 ? 145 VAL A O 1 ? ? +1459 ATOM O O B VAL A 1 135 ? 35.685 -54.875 -37.019 0.60 47.29 ? 145 VAL A O 1 ? ? +1460 ATOM C CB A VAL A 1 135 ? 37.803 -56.924 -35.749 0.40 48.79 ? 145 VAL A CB 1 ? ? +1461 ATOM C CB B VAL A 1 135 ? 37.829 -56.933 -35.778 0.60 48.64 ? 145 VAL A CB 1 ? ? +1462 ATOM C CG1 A VAL A 1 135 ? 36.981 -57.578 -36.853 0.40 48.69 ? 145 VAL A CG1 1 ? ? +1463 ATOM C CG1 B VAL A 1 135 ? 37.045 -57.588 -36.910 0.60 48.55 ? 145 VAL A CG1 1 ? ? +1464 ATOM C CG2 A VAL A 1 135 ? 39.276 -57.323 -35.841 0.40 49.38 ? 145 VAL A CG2 1 ? ? +1465 ATOM C CG2 B VAL A 1 135 ? 39.306 -57.336 -35.832 0.60 49.24 ? 145 VAL A CG2 1 ? ? +1466 ATOM N N A ALA A 1 136 ? 35.536 -54.754 -34.758 0.40 47.44 ? 146 ALA A N 1 ? ? +1467 ATOM N N B ALA A 1 136 ? 35.554 -54.767 -34.769 0.60 47.32 ? 146 ALA A N 1 ? ? +1468 ATOM C CA A ALA A 1 136 ? 34.157 -54.295 -34.743 0.40 46.91 ? 146 ALA A CA 1 ? ? +1469 ATOM C CA B ALA A 1 136 ? 34.175 -54.302 -34.765 0.60 46.81 ? 146 ALA A CA 1 ? ? +1470 ATOM C C A ALA A 1 136 ? 34.096 -52.851 -35.232 0.40 46.40 ? 146 ALA A C 1 ? ? +1471 ATOM C C B ALA A 1 136 ? 34.103 -52.850 -35.231 0.60 46.31 ? 146 ALA A C 1 ? ? +1472 ATOM O O A ALA A 1 136 ? 33.186 -52.469 -35.965 0.40 46.01 ? 146 ALA A O 1 ? ? +1473 ATOM O O B ALA A 1 136 ? 33.191 -52.470 -35.964 0.60 45.93 ? 146 ALA A O 1 ? ? +1474 ATOM C CB A ALA A 1 136 ? 33.572 -54.413 -33.346 0.40 46.89 ? 146 ALA A CB 1 ? ? +1475 ATOM C CB B ALA A 1 136 ? 33.566 -54.449 -33.379 0.60 46.80 ? 146 ALA A CB 1 ? ? +1476 ATOM N N A TYR A 1 137 ? 35.097 -52.062 -34.828 0.40 46.40 ? 147 TYR A N 1 ? ? +1477 ATOM N N B TYR A 1 137 ? 35.094 -52.050 -34.819 0.60 46.33 ? 147 TYR A N 1 ? ? +1478 ATOM C CA A TYR A 1 137 ? 35.157 -50.657 -35.191 0.40 45.98 ? 147 TYR A CA 1 ? ? +1479 ATOM C CA B TYR A 1 137 ? 35.154 -50.648 -35.194 0.60 45.92 ? 147 TYR A CA 1 ? ? +1480 ATOM C C A TYR A 1 137 ? 35.490 -50.467 -36.669 0.40 45.92 ? 147 TYR A C 1 ? ? +1481 ATOM C C B TYR A 1 137 ? 35.495 -50.463 -36.670 0.60 45.89 ? 147 TYR A C 1 ? ? +1482 ATOM O O A TYR A 1 137 ? 35.221 -49.407 -37.231 0.40 45.54 ? 147 TYR A O 1 ? ? +1483 ATOM O O B TYR A 1 137 ? 35.233 -49.405 -37.238 0.60 45.51 ? 147 TYR A O 1 ? ? +1484 ATOM C CB A TYR A 1 137 ? 36.177 -49.939 -34.311 0.40 46.13 ? 147 TYR A CB 1 ? ? +1485 ATOM C CB B TYR A 1 137 ? 36.167 -49.923 -34.314 0.60 46.07 ? 147 TYR A CB 1 ? ? +1486 ATOM C CG A TYR A 1 137 ? 36.398 -48.484 -34.659 0.40 45.81 ? 147 TYR A CG 1 ? ? +1487 ATOM C CG B TYR A 1 137 ? 36.391 -48.469 -34.665 0.60 45.75 ? 147 TYR A CG 1 ? ? +1488 ATOM C CD1 A TYR A 1 137 ? 35.410 -47.535 -34.435 0.40 45.30 ? 147 TYR A CD1 1 ? ? +1489 ATOM C CD1 B TYR A 1 137 ? 35.403 -47.517 -34.444 0.60 45.25 ? 147 TYR A CD1 1 ? ? +1490 ATOM C CD2 A TYR A 1 137 ? 37.601 -48.055 -35.203 0.40 46.03 ? 147 TYR A CD2 1 ? ? +1491 ATOM C CD2 B TYR A 1 137 ? 37.599 -48.042 -35.211 0.60 45.98 ? 147 TYR A CD2 1 ? ? +1492 ATOM C CE1 A TYR A 1 137 ? 35.615 -46.196 -34.745 0.40 45.04 ? 147 TYR A CE1 1 ? ? +1493 ATOM C CE1 B TYR A 1 137 ? 35.610 -46.179 -34.757 0.60 44.99 ? 147 TYR A CE1 1 ? ? +1494 ATOM C CE2 A TYR A 1 137 ? 37.816 -46.721 -35.520 0.40 45.77 ? 147 TYR A CE2 1 ? ? +1495 ATOM C CE2 B TYR A 1 137 ? 37.816 -46.708 -35.530 0.60 45.72 ? 147 TYR A CE2 1 ? ? +1496 ATOM C CZ A TYR A 1 137 ? 36.821 -45.793 -35.291 0.40 45.28 ? 147 TYR A CZ 1 ? ? +1497 ATOM C CZ B TYR A 1 137 ? 36.820 -45.778 -35.303 0.60 45.22 ? 147 TYR A CZ 1 ? ? +1498 ATOM O OH A TYR A 1 137 ? 37.037 -44.473 -35.599 0.40 45.05 ? 147 TYR A OH 1 ? ? +1499 ATOM O OH B TYR A 1 137 ? 37.036 -44.459 -35.608 0.60 44.99 ? 147 TYR A OH 1 ? ? +1500 ATOM N N . SER A 1 138 ? 36.073 -51.499 -37.293 1.00 46.30 ? 148 SER A N 1 ? ? +1501 ATOM C CA . SER A 1 138 ? 36.407 -51.442 -38.710 1.00 46.31 ? 148 SER A CA 1 ? ? +1502 ATOM C CB . SER A 1 138 ? 37.157 -52.682 -39.164 1.00 46.84 ? 148 SER A CB 1 ? ? +1503 ATOM O OG . SER A 1 138 ? 36.339 -53.824 -39.302 1.00 46.90 ? 148 SER A OG 1 ? ? +1504 ATOM C C . SER A 1 138 ? 35.176 -51.235 -39.591 1.00 45.89 ? 148 SER A C 1 ? ? +1505 ATOM O O . SER A 1 138 ? 35.295 -50.725 -40.703 1.00 45.77 ? 148 SER A O 1 ? ? +1506 ATOM N N A ALA A 1 139 ? 34.000 -51.625 -39.081 0.40 45.69 ? 149 ALA A N 1 ? ? +1507 ATOM N N B ALA A 1 139 ? 34.004 -51.636 -39.082 0.60 45.70 ? 149 ALA A N 1 ? ? +1508 ATOM C CA A ALA A 1 139 ? 32.758 -51.499 -39.833 0.40 45.35 ? 149 ALA A CA 1 ? ? +1509 ATOM C CA B ALA A 1 139 ? 32.759 -51.509 -39.825 0.60 45.36 ? 149 ALA A CA 1 ? ? +1510 ATOM C C A ALA A 1 139 ? 32.370 -50.035 -40.020 0.40 44.87 ? 149 ALA A C 1 ? ? +1511 ATOM C C B ALA A 1 139 ? 32.372 -50.046 -40.015 0.60 44.88 ? 149 ALA A C 1 ? ? +1512 ATOM O O A ALA A 1 139 ? 32.209 -49.577 -41.147 0.40 44.73 ? 149 ALA A O 1 ? ? +1513 ATOM O O B ALA A 1 139 ? 32.218 -49.599 -41.149 0.60 44.73 ? 149 ALA A O 1 ? ? +1514 ATOM C CB A ALA A 1 139 ? 31.638 -52.265 -39.155 0.40 45.31 ? 149 ALA A CB 1 ? ? +1515 ATOM C CB B ALA A 1 139 ? 31.647 -52.285 -39.143 0.60 45.32 ? 149 ALA A CB 1 ? ? +1516 ATOM N N A PRO A 1 140 ? 32.204 -49.252 -38.932 0.40 44.67 ? 150 PRO A N 1 ? ? +1517 ATOM N N B PRO A 1 140 ? 32.204 -49.250 -38.934 0.60 44.65 ? 150 PRO A N 1 ? ? +1518 ATOM C CA A PRO A 1 140 ? 32.002 -47.809 -39.065 0.40 44.30 ? 150 PRO A CA 1 ? ? +1519 ATOM C CA B PRO A 1 140 ? 31.995 -47.811 -39.091 0.60 44.30 ? 150 PRO A CA 1 ? ? +1520 ATOM C C A PRO A 1 140 ? 33.150 -47.099 -39.783 0.40 44.45 ? 150 PRO A C 1 ? ? +1521 ATOM C C B PRO A 1 140 ? 33.152 -47.096 -39.789 0.60 44.46 ? 150 PRO A C 1 ? ? +1522 ATOM O O A PRO A 1 140 ? 32.918 -46.198 -40.585 0.40 44.21 ? 150 PRO A O 1 ? ? +1523 ATOM O O B PRO A 1 140 ? 32.929 -46.188 -40.585 0.60 44.23 ? 150 PRO A O 1 ? ? +1524 ATOM C CB A PRO A 1 140 ? 31.847 -47.335 -37.614 0.40 44.16 ? 150 PRO A CB 1 ? ? +1525 ATOM C CB B PRO A 1 140 ? 31.803 -47.319 -37.652 0.60 44.14 ? 150 PRO A CB 1 ? ? +1526 ATOM C CG A PRO A 1 140 ? 32.299 -48.478 -36.749 0.40 44.54 ? 150 PRO A CG 1 ? ? +1527 ATOM C CG B PRO A 1 140 ? 32.257 -48.429 -36.767 0.60 44.51 ? 150 PRO A CG 1 ? ? +1528 ATOM C CD A PRO A 1 140 ? 32.154 -49.722 -37.539 0.40 44.79 ? 150 PRO A CD 1 ? ? +1529 ATOM C CD B PRO A 1 140 ? 32.151 -49.690 -37.530 0.60 44.77 ? 150 PRO A CD 1 ? ? +1530 ATOM N N . LEU A 1 141 ? 34.390 -47.507 -39.492 1.00 44.89 ? 151 LEU A N 1 ? ? +1531 ATOM C CA . LEU A 1 141 ? 35.549 -46.891 -40.114 1.00 45.12 ? 151 LEU A CA 1 ? ? +1532 ATOM C CB . LEU A 1 141 ? 36.842 -47.435 -39.505 1.00 45.63 ? 151 LEU A CB 1 ? ? +1533 ATOM C CG . LEU A 1 141 ? 38.126 -46.850 -40.078 1.00 45.88 ? 151 LEU A CG 1 ? ? +1534 ATOM C CD1 . LEU A 1 141 ? 38.208 -45.376 -39.832 1.00 45.61 ? 151 LEU A CD1 1 ? ? +1535 ATOM C CD2 . LEU A 1 141 ? 39.287 -47.515 -39.502 1.00 46.42 ? 151 LEU A CD2 1 ? ? +1536 ATOM C C . LEU A 1 141 ? 35.548 -47.101 -41.628 1.00 45.27 ? 151 LEU A C 1 ? ? +1537 ATOM O O . LEU A 1 141 ? 35.784 -46.159 -42.386 1.00 45.14 ? 151 LEU A O 1 ? ? +1538 ATOM N N A ALA A 1 142 ? 35.274 -48.335 -42.064 0.40 45.51 ? 152 ALA A N 1 ? ? +1539 ATOM N N B ALA A 1 142 ? 35.282 -48.339 -42.060 0.60 45.54 ? 152 ALA A N 1 ? ? +1540 ATOM C CA A ALA A 1 142 ? 35.190 -48.638 -43.484 0.40 45.64 ? 152 ALA A CA 1 ? ? +1541 ATOM C CA B ALA A 1 142 ? 35.213 -48.648 -43.479 0.60 45.70 ? 152 ALA A CA 1 ? ? +1542 ATOM C C A ALA A 1 142 ? 34.105 -47.798 -44.153 0.40 45.26 ? 152 ALA A C 1 ? ? +1543 ATOM C C B ALA A 1 142 ? 34.135 -47.814 -44.165 0.60 45.32 ? 152 ALA A C 1 ? ? +1544 ATOM O O A ALA A 1 142 ? 34.250 -47.390 -45.304 0.40 45.26 ? 152 ALA A O 1 ? ? +1545 ATOM O O B ALA A 1 142 ? 34.291 -47.422 -45.320 0.60 45.32 ? 152 ALA A O 1 ? ? +1546 ATOM C CB A ALA A 1 142 ? 34.918 -50.117 -43.695 0.40 45.91 ? 152 ALA A CB 1 ? ? +1547 ATOM C CB B ALA A 1 142 ? 34.943 -50.125 -43.688 0.60 46.00 ? 152 ALA A CB 1 ? ? +1548 ATOM N N A SER A 1 143 ? 33.023 -47.531 -43.412 0.40 44.96 ? 153 SER A N 1 ? ? +1549 ATOM N N B SER A 1 143 ? 33.048 -47.537 -43.434 0.60 45.02 ? 153 SER A N 1 ? ? +1550 ATOM C CA A SER A 1 143 ? 31.920 -46.753 -43.950 0.40 44.63 ? 153 SER A CA 1 ? ? +1551 ATOM C CA B SER A 1 143 ? 31.945 -46.764 -43.980 0.60 44.69 ? 153 SER A CA 1 ? ? +1552 ATOM C C A SER A 1 143 ? 32.383 -45.325 -44.221 0.40 44.53 ? 153 SER A C 1 ? ? +1553 ATOM C C B SER A 1 143 ? 32.357 -45.312 -44.204 0.60 44.55 ? 153 SER A C 1 ? ? +1554 ATOM O O A SER A 1 143 ? 32.090 -44.759 -45.270 0.40 44.43 ? 153 SER A O 1 ? ? +1555 ATOM O O B SER A 1 143 ? 31.981 -44.709 -45.202 0.60 44.44 ? 153 SER A O 1 ? ? +1556 ATOM C CB A SER A 1 143 ? 30.717 -46.765 -43.010 0.40 44.33 ? 153 SER A CB 1 ? ? +1557 ATOM C CB B SER A 1 143 ? 30.722 -46.840 -43.071 0.60 44.42 ? 153 SER A CB 1 ? ? +1558 ATOM O OG A SER A 1 143 ? 30.217 -48.079 -42.832 0.40 44.50 ? 153 SER A OG 1 ? ? +1559 ATOM O OG B SER A 1 143 ? 30.291 -48.178 -42.901 0.60 44.61 ? 153 SER A OG 1 ? ? +1560 ATOM N N A ALA A 1 144 ? 33.121 -44.753 -43.268 0.40 44.64 ? 154 ALA A N 1 ? ? +1561 ATOM N N B ALA A 1 144 ? 33.122 -44.752 -43.265 0.60 44.65 ? 154 ALA A N 1 ? ? +1562 ATOM C CA A ALA A 1 144 ? 33.640 -43.405 -43.426 0.40 44.60 ? 154 ALA A CA 1 ? ? +1563 ATOM C CA B ALA A 1 144 ? 33.643 -43.404 -43.421 0.60 44.58 ? 154 ALA A CA 1 ? ? +1564 ATOM C C A ALA A 1 144 ? 34.588 -43.303 -44.623 0.40 44.94 ? 154 ALA A C 1 ? ? +1565 ATOM C C B ALA A 1 144 ? 34.594 -43.296 -44.618 0.60 44.89 ? 154 ALA A C 1 ? ? +1566 ATOM O O A ALA A 1 144 ? 34.557 -42.322 -45.362 0.40 44.83 ? 154 ALA A O 1 ? ? +1567 ATOM O O B ALA A 1 144 ? 34.544 -42.323 -45.367 0.60 44.79 ? 154 ALA A O 1 ? ? +1568 ATOM C CB A ALA A 1 144 ? 34.342 -42.965 -42.154 0.40 44.68 ? 154 ALA A CB 1 ? ? +1569 ATOM C CB B ALA A 1 144 ? 34.343 -42.965 -42.147 0.60 44.67 ? 154 ALA A CB 1 ? ? +1570 ATOM N N A PHE A 1 145 ? 35.434 -44.318 -44.816 0.40 45.40 ? 155 PHE A N 1 ? ? +1571 ATOM N N B PHE A 1 145 ? 35.454 -44.302 -44.808 0.60 45.31 ? 155 PHE A N 1 ? ? +1572 ATOM C CA A PHE A 1 145 ? 36.311 -44.342 -45.976 0.40 45.77 ? 155 PHE A CA 1 ? ? +1573 ATOM C CA B PHE A 1 145 ? 36.318 -44.336 -45.979 0.60 45.65 ? 155 PHE A CA 1 ? ? +1574 ATOM C C A PHE A 1 145 ? 35.473 -44.348 -47.250 0.40 45.60 ? 155 PHE A C 1 ? ? +1575 ATOM C C B PHE A 1 145 ? 35.495 -44.348 -47.263 0.60 45.46 ? 155 PHE A C 1 ? ? +1576 ATOM O O A PHE A 1 145 ? 35.776 -43.644 -48.213 0.40 45.61 ? 155 PHE A O 1 ? ? +1577 ATOM O O B PHE A 1 145 ? 35.833 -43.677 -48.239 0.60 45.49 ? 155 PHE A O 1 ? ? +1578 ATOM C CB A PHE A 1 145 ? 37.256 -45.556 -45.936 0.40 46.31 ? 155 PHE A CB 1 ? ? +1579 ATOM C CB B PHE A 1 145 ? 37.267 -45.554 -45.939 0.60 46.19 ? 155 PHE A CB 1 ? ? +1580 ATOM C CG A PHE A 1 145 ? 38.588 -45.297 -45.275 0.40 46.68 ? 155 PHE A CG 1 ? ? +1581 ATOM C CG B PHE A 1 145 ? 38.593 -45.289 -45.274 0.60 46.55 ? 155 PHE A CG 1 ? ? +1582 ATOM C CD1 A PHE A 1 145 ? 39.643 -44.771 -45.992 0.40 47.02 ? 155 PHE A CD1 1 ? ? +1583 ATOM C CD1 B PHE A 1 145 ? 39.652 -44.775 -45.993 0.60 46.89 ? 155 PHE A CD1 1 ? ? +1584 ATOM C CD2 A PHE A 1 145 ? 38.779 -45.569 -43.934 0.40 46.76 ? 155 PHE A CD2 1 ? ? +1585 ATOM C CD2 B PHE A 1 145 ? 38.777 -45.545 -43.929 0.60 46.63 ? 155 PHE A CD2 1 ? ? +1586 ATOM C CE1 A PHE A 1 145 ? 40.874 -44.540 -45.382 0.40 47.39 ? 155 PHE A CE1 1 ? ? +1587 ATOM C CE1 B PHE A 1 145 ? 40.886 -44.541 -45.380 0.60 47.26 ? 155 PHE A CE1 1 ? ? +1588 ATOM C CE2 A PHE A 1 145 ? 40.005 -45.331 -43.328 0.40 47.15 ? 155 PHE A CE2 1 ? ? +1589 ATOM C CE2 B PHE A 1 145 ? 40.003 -45.302 -43.320 0.60 47.01 ? 155 PHE A CE2 1 ? ? +1590 ATOM C CZ A PHE A 1 145 ? 41.043 -44.818 -44.055 0.40 47.45 ? 155 PHE A CZ 1 ? ? +1591 ATOM C CZ B PHE A 1 145 ? 41.048 -44.800 -44.048 0.60 47.32 ? 155 PHE A CZ 1 ? ? +1592 ATOM N N A ALA A 1 146 ? 34.400 -45.143 -47.231 0.40 45.46 ? 156 ALA A N 1 ? ? +1593 ATOM N N B ALA A 1 146 ? 34.397 -45.110 -47.244 0.60 45.29 ? 156 ALA A N 1 ? ? +1594 ATOM C CA A ALA A 1 146 ? 33.560 -45.312 -48.403 0.40 45.37 ? 156 ALA A CA 1 ? ? +1595 ATOM C CA B ALA A 1 146 ? 33.579 -45.284 -48.432 0.60 45.19 ? 156 ALA A CA 1 ? ? +1596 ATOM C C A ALA A 1 146 ? 33.066 -43.978 -48.954 0.40 45.04 ? 156 ALA A C 1 ? ? +1597 ATOM C C B ALA A 1 146 ? 33.064 -43.956 -48.979 0.60 44.86 ? 156 ALA A C 1 ? ? +1598 ATOM O O A ALA A 1 146 ? 33.126 -43.751 -50.159 0.40 45.12 ? 156 ALA A O 1 ? ? +1599 ATOM O O B ALA A 1 146 ? 33.122 -43.727 -50.183 0.60 44.93 ? 156 ALA A O 1 ? ? +1600 ATOM C CB A ALA A 1 146 ? 32.385 -46.211 -48.080 0.40 45.23 ? 156 ALA A CB 1 ? ? +1601 ATOM C CB B ALA A 1 146 ? 32.424 -46.212 -48.138 0.60 45.07 ? 156 ALA A CB 1 ? ? +1602 ATOM N N A VAL A 1 147 ? 32.598 -43.096 -48.065 0.40 44.71 ? 157 VAL A N 1 ? ? +1603 ATOM N N B VAL A 1 147 ? 32.588 -43.085 -48.084 0.60 44.52 ? 157 VAL A N 1 ? ? +1604 ATOM C CA A VAL A 1 147 ? 31.893 -41.898 -48.488 0.40 44.44 ? 157 VAL A CA 1 ? ? +1605 ATOM C CA B VAL A 1 147 ? 31.887 -41.879 -48.491 0.60 44.25 ? 157 VAL A CA 1 ? ? +1606 ATOM C C A VAL A 1 147 ? 32.776 -40.659 -48.583 0.40 44.52 ? 157 VAL A C 1 ? ? +1607 ATOM C C B VAL A 1 147 ? 32.791 -40.656 -48.599 0.60 44.34 ? 157 VAL A C 1 ? ? +1608 ATOM O O A VAL A 1 147 ? 32.387 -39.668 -49.195 0.40 44.36 ? 157 VAL A O 1 ? ? +1609 ATOM O O B VAL A 1 147 ? 32.435 -39.685 -49.260 0.60 44.19 ? 157 VAL A O 1 ? ? +1610 ATOM C CB A VAL A 1 147 ? 30.710 -41.611 -47.552 0.40 44.06 ? 157 VAL A CB 1 ? ? +1611 ATOM C CB B VAL A 1 147 ? 30.701 -41.581 -47.552 0.60 43.89 ? 157 VAL A CB 1 ? ? +1612 ATOM C CG1 A VAL A 1 147 ? 29.701 -42.763 -47.561 0.40 44.03 ? 157 VAL A CG1 1 ? ? +1613 ATOM C CG1 B VAL A 1 147 ? 29.665 -42.712 -47.597 0.60 43.84 ? 157 VAL A CG1 1 ? ? +1614 ATOM C CG2 A VAL A 1 147 ? 31.197 -41.310 -46.143 0.40 44.02 ? 157 VAL A CG2 1 ? ? +1615 ATOM C CG2 B VAL A 1 147 ? 31.164 -41.316 -46.124 0.60 43.85 ? 157 VAL A CG2 1 ? ? +1616 ATOM N N A PHE A 1 148 ? 33.964 -40.713 -47.974 0.40 44.83 ? 158 PHE A N 1 ? ? +1617 ATOM N N B PHE A 1 148 ? 33.960 -40.705 -47.951 0.60 44.64 ? 158 PHE A N 1 ? ? +1618 ATOM C CA A PHE A 1 148 ? 34.863 -39.574 -47.997 0.40 44.92 ? 158 PHE A CA 1 ? ? +1619 ATOM C CA B PHE A 1 148 ? 34.881 -39.583 -47.977 0.60 44.76 ? 158 PHE A CA 1 ? ? +1620 ATOM C C A PHE A 1 148 ? 36.001 -39.791 -48.987 0.40 45.36 ? 158 PHE A C 1 ? ? +1621 ATOM C C B PHE A 1 148 ? 36.047 -39.789 -48.936 0.60 45.18 ? 158 PHE A C 1 ? ? +1622 ATOM O O A PHE A 1 148 ? 36.554 -38.824 -49.507 0.40 45.48 ? 158 PHE A O 1 ? ? +1623 ATOM O O B PHE A 1 148 ? 36.650 -38.808 -49.369 0.60 45.32 ? 158 PHE A O 1 ? ? +1624 ATOM C CB A PHE A 1 148 ? 35.424 -39.272 -46.596 0.40 44.98 ? 158 PHE A CB 1 ? ? +1625 ATOM C CB B PHE A 1 148 ? 35.429 -39.287 -46.572 0.60 44.82 ? 158 PHE A CB 1 ? ? +1626 ATOM C CG A PHE A 1 148 ? 34.391 -38.785 -45.603 0.40 44.60 ? 158 PHE A CG 1 ? ? +1627 ATOM C CG B PHE A 1 148 ? 34.398 -38.786 -45.588 0.60 44.46 ? 158 PHE A CG 1 ? ? +1628 ATOM C CD1 A PHE A 1 148 ? 33.415 -37.882 -45.980 0.40 44.27 ? 158 PHE A CD1 1 ? ? +1629 ATOM C CD1 B PHE A 1 148 ? 33.442 -37.861 -45.969 0.60 44.14 ? 158 PHE A CD1 1 ? ? +1630 ATOM C CD2 A PHE A 1 148 ? 34.415 -39.209 -44.287 0.40 44.61 ? 158 PHE A CD2 1 ? ? +1631 ATOM C CD2 B PHE A 1 148 ? 34.405 -39.214 -44.273 0.60 44.47 ? 158 PHE A CD2 1 ? ? +1632 ATOM C CE1 A PHE A 1 148 ? 32.471 -37.431 -45.065 0.40 43.93 ? 158 PHE A CE1 1 ? ? +1633 ATOM C CE1 B PHE A 1 148 ? 32.502 -37.391 -45.056 0.60 43.79 ? 158 PHE A CE1 1 ? ? +1634 ATOM C CE2 A PHE A 1 148 ? 33.463 -38.759 -43.377 0.40 44.26 ? 158 PHE A CE2 1 ? ? +1635 ATOM C CE2 B PHE A 1 148 ? 33.450 -38.750 -43.368 0.60 44.13 ? 158 PHE A CE2 1 ? ? +1636 ATOM C CZ A PHE A 1 148 ? 32.501 -37.871 -43.770 0.40 43.91 ? 158 PHE A CZ 1 ? ? +1637 ATOM C CZ B PHE A 1 148 ? 32.513 -37.836 -43.763 0.60 43.77 ? 158 PHE A CZ 1 ? ? +1638 ATOM N N A LEU A 1 149 ? 36.341 -41.056 -49.260 0.40 45.60 ? 159 LEU A N 1 ? ? +1639 ATOM N N B LEU A 1 149 ? 36.364 -41.048 -49.269 0.60 45.40 ? 159 LEU A N 1 ? ? +1640 ATOM C CA A LEU A 1 149 ? 37.502 -41.341 -50.090 0.40 46.02 ? 159 LEU A CA 1 ? ? +1641 ATOM C CA B LEU A 1 149 ? 37.532 -41.330 -50.093 0.60 45.82 ? 159 LEU A CA 1 ? ? +1642 ATOM C C A LEU A 1 149 ? 37.199 -42.227 -51.296 0.40 46.14 ? 159 LEU A C 1 ? ? +1643 ATOM C C B LEU A 1 149 ? 37.239 -42.220 -51.297 0.60 45.94 ? 159 LEU A C 1 ? ? +1644 ATOM O O A LEU A 1 149 ? 37.381 -41.814 -52.439 0.40 46.24 ? 159 LEU A O 1 ? ? +1645 ATOM O O B LEU A 1 149 ? 37.472 -41.824 -52.435 0.60 46.06 ? 159 LEU A O 1 ? ? +1646 ATOM C CB A LEU A 1 149 ? 38.603 -42.002 -49.239 0.40 46.36 ? 159 LEU A CB 1 ? ? +1647 ATOM C CB B LEU A 1 149 ? 38.636 -41.978 -49.228 0.60 46.16 ? 159 LEU A CB 1 ? ? +1648 ATOM C CG A LEU A 1 149 ? 39.949 -42.137 -49.936 0.40 46.90 ? 159 LEU A CG 1 ? ? +1649 ATOM C CG B LEU A 1 149 ? 39.987 -42.174 -49.918 0.60 46.68 ? 159 LEU A CG 1 ? ? +1650 ATOM C CD1 A LEU A 1 149 ? 40.505 -40.791 -50.268 0.40 46.93 ? 159 LEU A CD1 1 ? ? +1651 ATOM C CD1 B LEU A 1 149 ? 40.570 -40.867 -50.347 0.60 46.75 ? 159 LEU A CD1 1 ? ? +1652 ATOM C CD2 A LEU A 1 149 ? 40.923 -42.911 -49.085 0.40 47.26 ? 159 LEU A CD2 1 ? ? +1653 ATOM C CD2 B LEU A 1 149 ? 40.952 -42.892 -49.010 0.60 47.04 ? 159 LEU A CD2 1 ? ? +1654 ATOM N N A ILE A 1 150 ? 36.744 -43.455 -51.039 0.40 46.15 ? 160 ILE A N 1 ? ? +1655 ATOM N N B ILE A 1 150 ? 36.719 -43.424 -51.045 0.60 45.94 ? 160 ILE A N 1 ? ? +1656 ATOM C CA A ILE A 1 150 ? 36.582 -44.422 -52.111 0.40 46.38 ? 160 ILE A CA 1 ? ? +1657 ATOM C CA B ILE A 1 150 ? 36.560 -44.407 -52.106 0.60 46.18 ? 160 ILE A CA 1 ? ? +1658 ATOM C C A ILE A 1 150 ? 35.643 -43.905 -53.197 0.40 46.19 ? 160 ILE A C 1 ? ? +1659 ATOM C C B ILE A 1 150 ? 35.597 -43.925 -53.185 0.60 45.97 ? 160 ILE A C 1 ? ? +1660 ATOM O O A ILE A 1 150 ? 35.968 -43.990 -54.378 0.40 46.41 ? 160 ILE A O 1 ? ? +1661 ATOM O O B ILE A 1 150 ? 35.889 -44.064 -54.370 0.60 46.18 ? 160 ILE A O 1 ? ? +1662 ATOM C CB A ILE A 1 150 ? 36.130 -45.785 -51.572 0.40 46.41 ? 160 ILE A CB 1 ? ? +1663 ATOM C CB B ILE A 1 150 ? 36.139 -45.784 -51.561 0.60 46.26 ? 160 ILE A CB 1 ? ? +1664 ATOM C CG1 A ILE A 1 150 ? 37.025 -46.247 -50.416 0.40 46.64 ? 160 ILE A CG1 1 ? ? +1665 ATOM C CG1 B ILE A 1 150 ? 37.077 -46.271 -50.441 0.60 46.54 ? 160 ILE A CG1 1 ? ? +1666 ATOM C CG2 A ILE A 1 150 ? 36.102 -46.820 -52.689 0.40 46.71 ? 160 ILE A CG2 1 ? ? +1667 ATOM C CG2 B ILE A 1 150 ? 36.070 -46.812 -52.689 0.60 46.54 ? 160 ILE A CG2 1 ? ? +1668 ATOM C CD1 A ILE A 1 150 ? 38.470 -46.420 -50.816 0.40 47.15 ? 160 ILE A CD1 1 ? ? +1669 ATOM C CD1 B ILE A 1 150 ? 38.557 -46.305 -50.853 0.60 47.08 ? 160 ILE A CD1 1 ? ? +1670 ATOM N N A TYR A 1 151 ? 34.490 -43.352 -52.790 0.40 45.81 ? 161 TYR A N 1 ? ? +1671 ATOM N N B TYR A 1 151 ? 34.457 -43.352 -52.769 0.60 45.57 ? 161 TYR A N 1 ? ? +1672 ATOM C CA A TYR A 1 151 ? 33.501 -42.873 -53.743 0.40 45.65 ? 161 TYR A CA 1 ? ? +1673 ATOM C CA B TYR A 1 151 ? 33.459 -42.893 -53.721 0.60 45.40 ? 161 TYR A CA 1 ? ? +1674 ATOM C C A TYR A 1 151 ? 34.056 -41.727 -54.586 0.40 45.77 ? 161 TYR A C 1 ? ? +1675 ATOM C C B TYR A 1 151 ? 34.008 -41.748 -54.573 0.60 45.51 ? 161 TYR A C 1 ? ? +1676 ATOM O O A TYR A 1 151 ? 33.934 -41.725 -55.807 0.40 45.89 ? 161 TYR A O 1 ? ? +1677 ATOM O O B TYR A 1 151 ? 33.884 -41.762 -55.790 0.60 45.62 ? 161 TYR A O 1 ? ? +1678 ATOM C CB A TYR A 1 151 ? 32.202 -42.425 -53.048 0.40 45.22 ? 161 TYR A CB 1 ? ? +1679 ATOM C CB B TYR A 1 151 ? 32.134 -42.500 -53.021 0.60 44.97 ? 161 TYR A CB 1 ? ? +1680 ATOM C CG A TYR A 1 151 ? 31.093 -42.219 -54.052 0.40 45.11 ? 161 TYR A CG 1 ? ? +1681 ATOM C CG B TYR A 1 151 ? 31.035 -42.280 -54.027 0.60 44.85 ? 161 TYR A CG 1 ? ? +1682 ATOM C CD1 A TYR A 1 151 ? 30.607 -43.277 -54.801 0.40 45.28 ? 161 TYR A CD1 1 ? ? +1683 ATOM C CD1 B TYR A 1 151 ? 30.556 -43.326 -54.794 0.60 45.03 ? 161 TYR A CD1 1 ? ? +1684 ATOM C CD2 A TYR A 1 151 ? 30.575 -40.957 -54.297 0.40 44.88 ? 161 TYR A CD2 1 ? ? +1685 ATOM C CD2 B TYR A 1 151 ? 30.528 -41.013 -54.266 0.60 44.63 ? 161 TYR A CD2 1 ? ? +1686 ATOM C CE1 A TYR A 1 151 ? 29.611 -43.093 -55.746 0.40 45.24 ? 161 TYR A CE1 1 ? ? +1687 ATOM C CE1 B TYR A 1 151 ? 29.576 -43.128 -55.753 0.60 44.99 ? 161 TYR A CE1 1 ? ? +1688 ATOM C CE2 A TYR A 1 151 ? 29.578 -40.758 -55.243 0.40 44.81 ? 161 TYR A CE2 1 ? ? +1689 ATOM C CE2 B TYR A 1 151 ? 29.544 -40.799 -55.223 0.60 44.55 ? 161 TYR A CE2 1 ? ? +1690 ATOM C CZ A TYR A 1 151 ? 29.097 -41.833 -55.963 0.40 44.98 ? 161 TYR A CZ 1 ? ? +1691 ATOM C CZ B TYR A 1 151 ? 29.068 -41.864 -55.960 0.60 44.74 ? 161 TYR A CZ 1 ? ? +1692 ATOM O OH A TYR A 1 151 ? 28.126 -41.674 -56.907 0.40 44.98 ? 161 TYR A OH 1 ? ? +1693 ATOM O OH B TYR A 1 151 ? 28.118 -41.690 -56.914 0.60 44.74 ? 161 TYR A OH 1 ? ? +1694 ATOM N N A PRO A 1 152 ? 34.684 -40.704 -53.970 0.40 45.79 ? 162 PRO A N 1 ? ? +1695 ATOM N N B PRO A 1 152 ? 34.639 -40.713 -53.978 0.60 45.52 ? 162 PRO A N 1 ? ? +1696 ATOM C CA A PRO A 1 152 ? 35.403 -39.688 -54.737 0.40 46.02 ? 162 PRO A CA 1 ? ? +1697 ATOM C CA B PRO A 1 152 ? 35.403 -39.737 -54.755 0.60 45.77 ? 162 PRO A CA 1 ? ? +1698 ATOM C C A PRO A 1 152 ? 36.393 -40.268 -55.750 0.40 46.58 ? 162 PRO A C 1 ? ? +1699 ATOM C C B PRO A 1 152 ? 36.389 -40.328 -55.767 0.60 46.32 ? 162 PRO A C 1 ? ? +1700 ATOM O O A PRO A 1 152 ? 36.499 -39.767 -56.867 0.40 46.74 ? 162 PRO A O 1 ? ? +1701 ATOM O O B PRO A 1 152 ? 36.466 -39.850 -56.894 0.60 46.49 ? 162 PRO A O 1 ? ? +1702 ATOM C CB A PRO A 1 152 ? 36.103 -38.876 -53.642 0.40 45.96 ? 162 PRO A CB 1 ? ? +1703 ATOM C CB B PRO A 1 152 ? 36.133 -38.953 -53.663 0.60 45.72 ? 162 PRO A CB 1 ? ? +1704 ATOM C CG A PRO A 1 152 ? 35.248 -39.050 -52.431 0.40 45.55 ? 162 PRO A CG 1 ? ? +1705 ATOM C CG B PRO A 1 152 ? 35.233 -39.012 -52.496 0.60 45.28 ? 162 PRO A CG 1 ? ? +1706 ATOM C CD A PRO A 1 152 ? 34.721 -40.459 -52.519 0.40 45.58 ? 162 PRO A CD 1 ? ? +1707 ATOM C CD B PRO A 1 152 ? 34.615 -40.386 -52.542 0.60 45.27 ? 162 PRO A CD 1 ? ? +1708 ATOM N N A ILE A 1 153 ? 37.117 -41.329 -55.370 0.40 46.92 ? 163 ILE A N 1 ? ? +1709 ATOM N N B ILE A 1 153 ? 37.142 -41.362 -55.369 0.60 46.68 ? 163 ILE A N 1 ? ? +1710 ATOM C CA A ILE A 1 153 ? 38.114 -41.906 -56.259 0.40 47.49 ? 163 ILE A CA 1 ? ? +1711 ATOM C CA B ILE A 1 153 ? 38.140 -41.947 -56.256 0.60 47.27 ? 163 ILE A CA 1 ? ? +1712 ATOM C C A ILE A 1 153 ? 37.456 -42.515 -57.495 0.40 47.60 ? 163 ILE A C 1 ? ? +1713 ATOM C C B ILE A 1 153 ? 37.492 -42.562 -57.494 0.60 47.31 ? 163 ILE A C 1 ? ? +1714 ATOM O O A ILE A 1 153 ? 37.883 -42.267 -58.623 0.40 47.88 ? 163 ILE A O 1 ? ? +1715 ATOM O O B ILE A 1 153 ? 37.969 -42.375 -58.614 0.60 47.60 ? 163 ILE A O 1 ? ? +1716 ATOM C CB A ILE A 1 153 ? 38.993 -42.955 -55.538 0.40 47.83 ? 163 ILE A CB 1 ? ? +1717 ATOM C CB B ILE A 1 153 ? 39.010 -42.995 -55.524 0.60 47.68 ? 163 ILE A CB 1 ? ? +1718 ATOM C CG1 A ILE A 1 153 ? 39.877 -42.304 -54.459 0.40 47.89 ? 163 ILE A CG1 1 ? ? +1719 ATOM C CG1 B ILE A 1 153 ? 39.943 -42.329 -54.504 0.60 47.84 ? 163 ILE A CG1 1 ? ? +1720 ATOM C CG2 A ILE A 1 153 ? 39.839 -43.725 -56.541 0.40 48.38 ? 163 ILE A CG2 1 ? ? +1721 ATOM C CG2 B ILE A 1 153 ? 39.815 -43.829 -56.517 0.60 48.22 ? 163 ILE A CG2 1 ? ? +1722 ATOM C CD1 A ILE A 1 153 ? 40.680 -43.297 -53.648 0.40 48.20 ? 163 ILE A CD1 1 ? ? +1723 ATOM C CD1 B ILE A 1 153 ? 40.696 -43.320 -53.654 0.60 48.21 ? 163 ILE A CD1 1 ? ? +1724 ATOM N N A GLY A 1 154 ? 36.409 -43.314 -57.256 0.40 47.40 ? 164 GLY A N 1 ? ? +1725 ATOM N N B GLY A 1 154 ? 36.403 -43.309 -57.264 0.60 47.02 ? 164 GLY A N 1 ? ? +1726 ATOM C CA A GLY A 1 154 ? 35.670 -43.972 -58.320 0.40 47.48 ? 164 GLY A CA 1 ? ? +1727 ATOM C CA B GLY A 1 154 ? 35.666 -43.958 -58.334 0.60 47.03 ? 164 GLY A CA 1 ? ? +1728 ATOM C C A GLY A 1 154 ? 35.042 -42.990 -59.301 0.40 47.36 ? 164 GLY A C 1 ? ? +1729 ATOM C C B GLY A 1 154 ? 35.030 -42.975 -59.307 0.60 46.85 ? 164 GLY A C 1 ? ? +1730 ATOM O O A GLY A 1 154 ? 35.029 -43.234 -60.501 0.40 47.60 ? 164 GLY A O 1 ? ? +1731 ATOM O O B GLY A 1 154 ? 35.036 -43.204 -60.508 0.60 47.10 ? 164 GLY A O 1 ? ? +1732 ATOM N N A GLN A 1 155 ? 34.542 -41.870 -58.774 0.40 47.05 ? 165 GLN A N 1 ? ? +1733 ATOM N N B GLN A 1 155 ? 34.506 -41.872 -58.768 0.60 46.48 ? 165 GLN A N 1 ? ? +1734 ATOM C CA A GLN A 1 155 ? 33.863 -40.872 -59.583 0.40 46.96 ? 165 GLN A CA 1 ? ? +1735 ATOM C CA B GLN A 1 155 ? 33.815 -40.868 -59.560 0.60 46.34 ? 165 GLN A CA 1 ? ? +1736 ATOM C C A GLN A 1 155 ? 34.800 -39.749 -60.017 0.40 47.26 ? 165 GLN A C 1 ? ? +1737 ATOM C C B GLN A 1 155 ? 34.743 -39.751 -60.025 0.60 46.60 ? 165 GLN A C 1 ? ? +1738 ATOM O O A GLN A 1 155 ? 34.432 -38.900 -60.827 0.40 47.27 ? 165 GLN A O 1 ? ? +1739 ATOM O O B GLN A 1 155 ? 34.348 -38.908 -60.828 0.60 46.60 ? 165 GLN A O 1 ? ? +1740 ATOM C CB A GLN A 1 155 ? 32.686 -40.299 -58.803 0.40 46.45 ? 165 GLN A CB 1 ? ? +1741 ATOM C CB B GLN A 1 155 ? 32.676 -40.281 -58.736 0.60 45.82 ? 165 GLN A CB 1 ? ? +1742 ATOM C CG A GLN A 1 155 ? 31.663 -41.368 -58.419 0.40 46.27 ? 165 GLN A CG 1 ? ? +1743 ATOM C CG B GLN A 1 155 ? 31.697 -41.348 -58.221 0.60 45.62 ? 165 GLN A CG 1 ? ? +1744 ATOM C CD A GLN A 1 155 ? 31.268 -42.202 -59.617 0.40 46.52 ? 165 GLN A CD 1 ? ? +1745 ATOM C CD B GLN A 1 155 ? 31.046 -42.073 -59.361 0.60 45.78 ? 165 GLN A CD 1 ? ? +1746 ATOM O OE1 A GLN A 1 155 ? 30.986 -41.692 -60.712 0.40 46.61 ? 165 GLN A OE1 1 ? ? +1747 ATOM O OE1 B GLN A 1 155 ? 30.343 -41.456 -60.166 0.60 45.72 ? 165 GLN A OE1 1 ? ? +1748 ATOM N NE2 A GLN A 1 155 ? 31.275 -43.507 -59.449 0.40 46.66 ? 165 GLN A NE2 1 ? ? +1749 ATOM N NE2 B GLN A 1 155 ? 31.272 -43.376 -59.466 0.60 46.01 ? 165 GLN A NE2 1 ? ? +1750 ATOM N N A GLY A 1 156 ? 36.014 -39.745 -59.458 0.40 47.58 ? 166 GLY A N 1 ? ? +1751 ATOM N N B GLY A 1 156 ? 35.971 -39.737 -59.495 0.60 46.86 ? 166 GLY A N 1 ? ? +1752 ATOM C CA A GLY A 1 156 ? 37.065 -38.849 -59.908 0.40 47.95 ? 166 GLY A CA 1 ? ? +1753 ATOM C CA B GLY A 1 156 ? 37.020 -38.863 -59.990 0.60 47.20 ? 166 GLY A CA 1 ? ? +1754 ATOM C C A GLY A 1 156 ? 36.946 -37.409 -59.415 0.40 47.77 ? 166 GLY A C 1 ? ? +1755 ATOM C C B GLY A 1 156 ? 37.017 -37.441 -59.435 0.60 47.00 ? 166 GLY A C 1 ? ? +1756 ATOM O O A GLY A 1 156 ? 37.356 -36.482 -60.108 0.40 48.00 ? 166 GLY A O 1 ? ? +1757 ATOM O O B GLY A 1 156 ? 37.620 -36.553 -60.031 0.60 47.27 ? 166 GLY A O 1 ? ? +1758 ATOM N N A SER A 1 157 ? 36.396 -37.221 -58.213 0.40 47.46 ? 167 SER A N 1 ? ? +1759 ATOM N N B SER A 1 157 ? 36.356 -37.226 -58.292 0.60 46.60 ? 167 SER A N 1 ? ? +1760 ATOM C CA A SER A 1 157 ? 36.321 -35.894 -57.623 0.40 47.30 ? 167 SER A CA 1 ? ? +1761 ATOM C CA B SER A 1 157 ? 36.323 -35.909 -57.677 0.60 46.41 ? 167 SER A CA 1 ? ? +1762 ATOM C C A SER A 1 157 ? 35.816 -35.905 -56.186 0.40 47.01 ? 167 SER A C 1 ? ? +1763 ATOM C C B SER A 1 157 ? 35.834 -35.936 -56.234 0.60 46.09 ? 167 SER A C 1 ? ? +1764 ATOM O O A SER A 1 157 ? 34.758 -36.464 -55.889 0.40 46.76 ? 167 SER A O 1 ? ? +1765 ATOM O O B SER A 1 157 ? 34.804 -36.541 -55.928 0.60 45.83 ? 167 SER A O 1 ? ? +1766 ATOM C CB A SER A 1 157 ? 35.422 -34.978 -58.450 0.40 47.13 ? 167 SER A CB 1 ? ? +1767 ATOM C CB B SER A 1 157 ? 35.434 -34.953 -58.473 0.60 46.23 ? 167 SER A CB 1 ? ? +1768 ATOM O OG A SER A 1 157 ? 35.446 -33.651 -57.948 0.40 46.91 ? 167 SER A OG 1 ? ? +1769 ATOM O OG B SER A 1 157 ? 35.462 -33.648 -57.917 0.60 45.99 ? 167 SER A OG 1 ? ? +1770 ATOM N N A PHE A 1 158 ? 36.578 -35.247 -55.308 0.40 47.11 ? 168 PHE A N 1 ? ? +1771 ATOM N N B PHE A 1 158 ? 36.567 -35.229 -55.367 0.60 46.13 ? 168 PHE A N 1 ? ? +1772 ATOM C CA A PHE A 1 158 ? 36.163 -35.060 -53.931 0.40 46.85 ? 168 PHE A CA 1 ? ? +1773 ATOM C CA B PHE A 1 158 ? 36.156 -35.043 -53.985 0.60 45.82 ? 168 PHE A CA 1 ? ? +1774 ATOM C C A PHE A 1 158 ? 34.879 -34.234 -53.867 0.40 46.58 ? 168 PHE A C 1 ? ? +1775 ATOM C C B PHE A 1 158 ? 34.869 -34.224 -53.872 0.60 45.49 ? 168 PHE A C 1 ? ? +1776 ATOM O O A PHE A 1 158 ? 34.226 -34.171 -52.831 0.40 46.21 ? 168 PHE A O 1 ? ? +1777 ATOM O O B PHE A 1 158 ? 34.261 -34.175 -52.810 0.60 45.12 ? 168 PHE A O 1 ? ? +1778 ATOM C CB A PHE A 1 158 ? 37.296 -34.412 -53.132 0.40 46.95 ? 168 PHE A CB 1 ? ? +1779 ATOM C CB B PHE A 1 158 ? 37.291 -34.394 -53.182 0.60 45.93 ? 168 PHE A CB 1 ? ? +1780 ATOM C CG A PHE A 1 158 ? 38.426 -35.374 -52.896 0.40 47.30 ? 168 PHE A CG 1 ? ? +1781 ATOM C CG B PHE A 1 158 ? 38.431 -35.342 -52.930 0.60 46.28 ? 168 PHE A CG 1 ? ? +1782 ATOM C CD1 A PHE A 1 158 ? 38.250 -36.487 -52.097 0.40 47.19 ? 168 PHE A CD1 1 ? ? +1783 ATOM C CD1 B PHE A 1 158 ? 38.260 -36.457 -52.129 0.60 46.19 ? 168 PHE A CD1 1 ? ? +1784 ATOM C CD2 A PHE A 1 158 ? 39.652 -35.188 -53.502 0.40 47.75 ? 168 PHE A CD2 1 ? ? +1785 ATOM C CD2 B PHE A 1 158 ? 39.666 -35.136 -53.515 0.60 46.75 ? 168 PHE A CD2 1 ? ? +1786 ATOM C CE1 A PHE A 1 158 ? 39.279 -37.380 -51.897 0.40 47.59 ? 168 PHE A CE1 1 ? ? +1787 ATOM C CE1 B PHE A 1 158 ? 39.297 -37.337 -51.917 0.60 46.57 ? 168 PHE A CE1 1 ? ? +1788 ATOM C CE2 A PHE A 1 158 ? 40.682 -36.082 -53.293 0.40 48.15 ? 168 PHE A CE2 1 ? ? +1789 ATOM C CE2 B PHE A 1 158 ? 40.707 -36.015 -53.291 0.60 47.13 ? 168 PHE A CE2 1 ? ? +1790 ATOM C CZ A PHE A 1 158 ? 40.492 -37.172 -52.496 0.40 48.07 ? 168 PHE A CZ 1 ? ? +1791 ATOM C CZ B PHE A 1 158 ? 40.519 -37.110 -52.498 0.60 47.06 ? 168 PHE A CZ 1 ? ? +1792 ATOM N N A SER A 1 159 ? 34.525 -33.608 -54.993 0.40 46.86 ? 169 SER A N 1 ? ? +1793 ATOM N N B SER A 1 159 ? 34.464 -33.590 -54.976 0.60 45.68 ? 169 SER A N 1 ? ? +1794 ATOM C CA A SER A 1 159 ? 33.333 -32.781 -55.066 0.40 46.75 ? 169 SER A CA 1 ? ? +1795 ATOM C CA B SER A 1 159 ? 33.239 -32.810 -55.014 0.60 45.49 ? 169 SER A CA 1 ? ? +1796 ATOM C C A SER A 1 159 ? 32.079 -33.650 -55.042 0.40 46.72 ? 169 SER A C 1 ? ? +1797 ATOM C C B SER A 1 159 ? 31.998 -33.694 -54.932 0.60 45.39 ? 169 SER A C 1 ? ? +1798 ATOM O O A SER A 1 159 ? 30.972 -33.146 -54.876 0.40 46.49 ? 169 SER A O 1 ? ? +1799 ATOM O O B SER A 1 159 ? 30.894 -33.201 -54.720 0.60 45.18 ? 169 SER A O 1 ? ? +1800 ATOM C CB A SER A 1 159 ? 33.345 -31.912 -56.315 0.40 46.91 ? 169 SER A CB 1 ? ? +1801 ATOM C CB B SER A 1 159 ? 33.176 -31.985 -56.288 0.60 45.63 ? 169 SER A CB 1 ? ? +1802 ATOM O OG A SER A 1 159 ? 33.254 -32.717 -57.476 0.40 47.15 ? 169 SER A OG 1 ? ? +1803 ATOM O OG B SER A 1 159 ? 32.969 -32.843 -57.392 0.60 45.82 ? 169 SER A OG 1 ? ? +1804 ATOM N N A ASP A 1 160 ? 32.271 -34.959 -55.229 0.40 47.16 ? 170 ASP A N 1 ? ? +1805 ATOM N N B ASP A 1 160 ? 32.185 -34.998 -55.160 0.60 45.78 ? 170 ASP A N 1 ? ? +1806 ATOM C CA A ASP A 1 160 ? 31.198 -35.918 -55.032 0.40 47.16 ? 170 ASP A CA 1 ? ? +1807 ATOM C CA B ASP A 1 160 ? 31.117 -35.969 -54.996 0.60 45.73 ? 170 ASP A CA 1 ? ? +1808 ATOM C C A ASP A 1 160 ? 31.535 -36.849 -53.874 0.40 46.94 ? 170 ASP A C 1 ? ? +1809 ATOM C C B ASP A 1 160 ? 31.343 -36.825 -53.752 0.60 45.54 ? 170 ASP A C 1 ? ? +1810 ATOM O O A ASP A 1 160 ? 31.215 -38.032 -53.906 0.40 47.02 ? 170 ASP A O 1 ? ? +1811 ATOM O O B ASP A 1 160 ? 30.696 -37.849 -53.575 0.60 45.51 ? 170 ASP A O 1 ? ? +1812 ATOM C CB A ASP A 1 160 ? 30.862 -36.702 -56.311 0.40 47.76 ? 170 ASP A CB 1 ? ? +1813 ATOM C CB B ASP A 1 160 ? 30.961 -36.837 -56.261 0.60 46.26 ? 170 ASP A CB 1 ? ? +1814 ATOM C CG A ASP A 1 160 ? 29.584 -36.186 -56.937 0.40 48.05 ? 170 ASP A CG 1 ? ? +1815 ATOM C CG B ASP A 1 160 ? 30.280 -36.187 -57.454 0.60 46.60 ? 170 ASP A CG 1 ? ? +1816 ATOM O OD1 A ASP A 1 160 ? 29.598 -35.045 -57.475 0.40 49.00 ? 170 ASP A OD1 1 ? ? +1817 ATOM O OD1 B ASP A 1 160 ? 30.374 -36.747 -58.548 0.60 46.93 ? 170 ASP A OD1 1 ? ? +1818 ATOM O OD2 A ASP A 1 160 ? 28.520 -36.909 -56.841 0.40 48.30 ? 170 ASP A OD2 1 ? ? +1819 ATOM O OD2 B ASP A 1 160 ? 29.604 -35.114 -57.272 0.60 47.73 ? 170 ASP A OD2 1 ? ? +1820 ATOM N N A GLY A 1 161 ? 32.200 -36.287 -52.861 0.40 46.70 ? 171 GLY A N 1 ? ? +1821 ATOM N N B GLY A 1 161 ? 32.245 -36.376 -52.872 0.60 45.48 ? 171 GLY A N 1 ? ? +1822 ATOM C CA A GLY A 1 161 ? 32.299 -36.912 -51.556 0.40 46.42 ? 171 GLY A CA 1 ? ? +1823 ATOM C CA B GLY A 1 161 ? 32.336 -36.917 -51.528 0.60 45.25 ? 171 GLY A CA 1 ? ? +1824 ATOM C C A GLY A 1 161 ? 31.187 -36.370 -50.667 0.40 45.81 ? 171 GLY A C 1 ? ? +1825 ATOM C C B GLY A 1 161 ? 31.189 -36.393 -50.673 0.60 44.71 ? 171 GLY A C 1 ? ? +1826 ATOM O O A GLY A 1 161 ? 30.543 -35.385 -51.009 0.40 45.64 ? 171 GLY A O 1 ? ? +1827 ATOM O O B GLY A 1 161 ? 30.531 -35.426 -51.037 0.60 44.53 ? 171 GLY A O 1 ? ? +1828 ATOM N N A MET A 1 162 ? 30.954 -37.017 -49.529 0.40 45.49 ? 172 MET A N 1 ? ? +1829 ATOM N N B MET A 1 162 ? 30.948 -37.042 -49.534 0.60 44.46 ? 172 MET A N 1 ? ? +1830 ATOM C CA A MET A 1 162 ? 29.847 -36.610 -48.693 0.40 45.00 ? 172 MET A CA 1 ? ? +1831 ATOM C CA B MET A 1 162 ? 29.838 -36.654 -48.693 0.60 44.04 ? 172 MET A CA 1 ? ? +1832 ATOM C C A MET A 1 162 ? 30.193 -35.279 -48.035 0.40 44.72 ? 172 MET A C 1 ? ? +1833 ATOM C C B MET A 1 162 ? 30.179 -35.337 -48.006 0.60 43.81 ? 172 MET A C 1 ? ? +1834 ATOM O O A MET A 1 162 ? 31.301 -35.088 -47.537 0.40 44.92 ? 172 MET A O 1 ? ? +1835 ATOM O O B MET A 1 162 ? 31.253 -35.194 -47.424 0.60 43.98 ? 172 MET A O 1 ? ? +1836 ATOM C CB A MET A 1 162 ? 29.519 -37.666 -47.646 0.40 44.99 ? 172 MET A CB 1 ? ? +1837 ATOM C CB B MET A 1 162 ? 29.506 -37.726 -47.660 0.60 44.04 ? 172 MET A CB 1 ? ? +1838 ATOM C CG A MET A 1 162 ? 28.224 -37.367 -46.904 0.40 44.63 ? 172 MET A CG 1 ? ? +1839 ATOM C CG B MET A 1 162 ? 28.209 -37.422 -46.889 0.60 43.69 ? 172 MET A CG 1 ? ? +1840 ATOM S SD A MET A 1 162 ? 27.849 -38.644 -45.718 0.40 44.66 ? 172 MET A SD 1 ? ? +1841 ATOM S SD B MET A 1 162 ? 27.863 -38.661 -45.661 0.60 43.74 ? 172 MET A SD 1 ? ? +1842 ATOM C CE A MET A 1 162 ? 28.628 -37.959 -44.265 0.40 44.63 ? 172 MET A CE 1 ? ? +1843 ATOM C CE B MET A 1 162 ? 28.599 -37.894 -44.232 0.60 43.71 ? 172 MET A CE 1 ? ? +1844 ATOM N N A PRO A 1 163 ? 29.260 -34.302 -48.047 0.40 44.22 ? 173 PRO A N 1 ? ? +1845 ATOM N N B PRO A 1 163 ? 29.282 -34.324 -48.058 0.60 43.39 ? 173 PRO A N 1 ? ? +1846 ATOM C CA A PRO A 1 163 ? 29.455 -33.047 -47.327 0.40 43.93 ? 173 PRO A CA 1 ? ? +1847 ATOM C CA B PRO A 1 163 ? 29.498 -33.077 -47.329 0.60 43.16 ? 173 PRO A CA 1 ? ? +1848 ATOM C C A PRO A 1 163 ? 29.513 -33.289 -45.823 0.40 43.63 ? 173 PRO A C 1 ? ? +1849 ATOM C C B PRO A 1 163 ? 29.514 -33.306 -45.821 0.60 42.92 ? 173 PRO A C 1 ? ? +1850 ATOM O O A PRO A 1 163 ? 29.001 -34.287 -45.327 0.40 43.63 ? 173 PRO A O 1 ? ? +1851 ATOM O O B PRO A 1 163 ? 28.946 -34.272 -45.328 0.60 42.92 ? 173 PRO A O 1 ? ? +1852 ATOM C CB A PRO A 1 163 ? 28.241 -32.207 -47.753 0.40 43.71 ? 173 PRO A CB 1 ? ? +1853 ATOM C CB B PRO A 1 163 ? 28.323 -32.200 -47.784 0.60 42.94 ? 173 PRO A CB 1 ? ? +1854 ATOM C CG A PRO A 1 163 ? 27.744 -32.875 -49.014 0.40 43.85 ? 173 PRO A CG 1 ? ? +1855 ATOM C CG B PRO A 1 163 ? 27.829 -32.849 -49.044 0.60 43.06 ? 173 PRO A CG 1 ? ? +1856 ATOM C CD A PRO A 1 163 ? 27.998 -34.327 -48.797 0.40 44.00 ? 173 PRO A CD 1 ? ? +1857 ATOM C CD B PRO A 1 163 ? 28.042 -34.302 -48.845 0.60 43.20 ? 173 PRO A CD 1 ? ? +1858 ATOM N N A LEU A 1 164 ? 30.161 -32.372 -45.107 0.40 43.44 ? 174 LEU A N 1 ? ? +1859 ATOM N N B LEU A 1 164 ? 30.185 -32.413 -45.095 0.60 42.79 ? 174 LEU A N 1 ? ? +1860 ATOM C CA A LEU A 1 164 ? 30.299 -32.487 -43.669 0.40 43.21 ? 174 LEU A CA 1 ? ? +1861 ATOM C CA B LEU A 1 164 ? 30.303 -32.525 -43.654 0.60 42.60 ? 174 LEU A CA 1 ? ? +1862 ATOM C C A LEU A 1 164 ? 29.189 -31.641 -43.064 0.40 42.73 ? 174 LEU A C 1 ? ? +1863 ATOM C C B LEU A 1 164 ? 29.193 -31.673 -43.058 0.60 42.17 ? 174 LEU A C 1 ? ? +1864 ATOM O O A LEU A 1 164 ? 29.423 -30.518 -42.632 0.40 42.68 ? 174 LEU A O 1 ? ? +1865 ATOM O O B LEU A 1 164 ? 29.436 -30.572 -42.580 0.60 42.14 ? 174 LEU A O 1 ? ? +1866 ATOM C CB A LEU A 1 164 ? 31.683 -32.002 -43.203 0.40 43.44 ? 174 LEU A CB 1 ? ? +1867 ATOM C CB B LEU A 1 164 ? 31.694 -32.058 -43.173 0.60 42.85 ? 174 LEU A CB 1 ? ? +1868 ATOM C CG A LEU A 1 164 ? 32.878 -32.627 -43.917 0.40 43.83 ? 174 LEU A CG 1 ? ? +1869 ATOM C CG B LEU A 1 164 ? 32.890 -32.673 -43.898 0.60 43.22 ? 174 LEU A CG 1 ? ? +1870 ATOM C CD1 A LEU A 1 164 ? 34.174 -32.243 -43.232 0.40 44.09 ? 174 LEU A CD1 1 ? ? +1871 ATOM C CD1 B LEU A 1 164 ? 34.191 -32.239 -43.246 0.60 43.50 ? 174 LEU A CD1 1 ? ? +1872 ATOM C CD2 A LEU A 1 164 ? 32.754 -34.118 -43.984 0.40 43.91 ? 174 LEU A CD2 1 ? ? +1873 ATOM C CD2 B LEU A 1 164 ? 32.807 -34.163 -43.926 0.60 43.33 ? 174 LEU A CD2 1 ? ? +1874 ATOM N N A GLY A 1 165 ? 27.972 -32.187 -43.071 0.40 42.36 ? 175 GLY A N 1 ? ? +1875 ATOM N N B GLY A 1 165 ? 27.963 -32.189 -43.119 0.60 41.87 ? 175 GLY A N 1 ? ? +1876 ATOM C CA A GLY A 1 165 ? 26.811 -31.456 -42.605 0.40 41.93 ? 175 GLY A CA 1 ? ? +1877 ATOM C CA B GLY A 1 165 ? 26.810 -31.459 -42.633 0.60 41.48 ? 175 GLY A CA 1 ? ? +1878 ATOM C C A GLY A 1 165 ? 25.534 -32.272 -42.757 0.40 41.68 ? 175 GLY A C 1 ? ? +1879 ATOM C C B GLY A 1 165 ? 25.530 -32.279 -42.744 0.60 41.25 ? 175 GLY A C 1 ? ? +1880 ATOM O O A GLY A 1 165 ? 25.464 -33.198 -43.562 0.40 41.77 ? 175 GLY A O 1 ? ? +1881 ATOM O O B GLY A 1 165 ? 25.457 -33.234 -43.514 0.60 41.34 ? 175 GLY A O 1 ? ? +1882 ATOM N N A ILE A 1 166 ? 24.519 -31.891 -41.982 0.40 41.33 ? 176 ILE A N 1 ? ? +1883 ATOM N N B ILE A 1 166 ? 24.518 -31.874 -41.974 0.60 40.95 ? 176 ILE A N 1 ? ? +1884 ATOM C CA A ILE A 1 166 ? 23.295 -32.666 -41.892 0.40 41.14 ? 176 ILE A CA 1 ? ? +1885 ATOM C CA B ILE A 1 166 ? 23.293 -32.648 -41.857 0.60 40.80 ? 176 ILE A CA 1 ? ? +1886 ATOM C C A ILE A 1 166 ? 22.501 -32.701 -43.194 0.40 41.02 ? 176 ILE A C 1 ? ? +1887 ATOM C C B ILE A 1 166 ? 22.505 -32.699 -43.162 0.60 40.69 ? 176 ILE A C 1 ? ? +1888 ATOM O O A ILE A 1 166 ? 22.209 -33.777 -43.705 0.40 41.15 ? 176 ILE A O 1 ? ? +1889 ATOM O O B ILE A 1 166 ? 22.220 -33.781 -43.666 0.60 40.82 ? 176 ILE A O 1 ? ? +1890 ATOM C CB A ILE A 1 166 ? 22.502 -32.132 -40.697 0.40 40.95 ? 176 ILE A CB 1 ? ? +1891 ATOM C CB B ILE A 1 166 ? 22.489 -32.108 -40.663 0.60 40.63 ? 176 ILE A CB 1 ? ? +1892 ATOM C CG1 A ILE A 1 166 ? 23.205 -32.589 -39.400 0.40 41.02 ? 176 ILE A CG1 1 ? ? +1893 ATOM C CG1 B ILE A 1 166 ? 23.197 -32.535 -39.355 0.60 40.73 ? 176 ILE A CG1 1 ? ? +1894 ATOM C CG2 A ILE A 1 166 ? 21.036 -32.562 -40.747 0.40 40.85 ? 176 ILE A CG2 1 ? ? +1895 ATOM C CG2 B ILE A 1 166 ? 21.021 -32.557 -40.701 0.60 40.53 ? 176 ILE A CG2 1 ? ? +1896 ATOM C CD1 A ILE A 1 166 ? 22.801 -31.871 -38.171 0.40 40.88 ? 176 ILE A CD1 1 ? ? +1897 ATOM C CD1 B ILE A 1 166 ? 22.730 -31.856 -38.133 0.60 40.60 ? 176 ILE A CD1 1 ? ? +1898 ATOM N N A SER A 1 167 ? 22.162 -31.529 -43.735 0.40 40.83 ? 177 SER A N 1 ? ? +1899 ATOM N N B SER A 1 167 ? 22.169 -31.533 -43.714 0.60 40.51 ? 177 SER A N 1 ? ? +1900 ATOM C CA A SER A 1 167 ? 21.443 -31.452 -44.997 0.40 40.78 ? 177 SER A CA 1 ? ? +1901 ATOM C CA B SER A 1 167 ? 21.450 -31.458 -44.978 0.60 40.48 ? 177 SER A CA 1 ? ? +1902 ATOM C C A SER A 1 167 ? 22.336 -31.868 -46.160 0.40 40.98 ? 177 SER A C 1 ? ? +1903 ATOM C C B SER A 1 167 ? 22.331 -31.842 -46.160 0.60 40.69 ? 177 SER A C 1 ? ? +1904 ATOM O O A SER A 1 167 ? 21.854 -32.376 -47.167 0.40 41.04 ? 177 SER A O 1 ? ? +1905 ATOM O O B SER A 1 167 ? 21.828 -32.294 -47.182 0.60 40.75 ? 177 SER A O 1 ? ? +1906 ATOM C CB A SER A 1 167 ? 20.910 -30.044 -45.233 0.40 40.64 ? 177 SER A CB 1 ? ? +1907 ATOM C CB B SER A 1 167 ? 20.883 -30.061 -45.201 0.60 40.32 ? 177 SER A CB 1 ? ? +1908 ATOM O OG A SER A 1 167 ? 19.959 -29.682 -44.245 0.40 40.45 ? 177 SER A OG 1 ? ? +1909 ATOM O OG B SER A 1 167 ? 19.918 -29.749 -44.210 0.60 40.14 ? 177 SER A OG 1 ? ? +1910 ATOM N N A GLY A 1 168 ? 23.648 -31.637 -46.007 0.40 41.07 ? 178 GLY A N 1 ? ? +1911 ATOM N N B GLY A 1 168 ? 23.653 -31.647 -46.015 0.60 40.82 ? 178 GLY A N 1 ? ? +1912 ATOM C CA A GLY A 1 168 ? 24.625 -32.048 -47.001 0.40 41.28 ? 178 GLY A CA 1 ? ? +1913 ATOM C CA B GLY A 1 168 ? 24.607 -32.085 -47.020 0.60 41.05 ? 178 GLY A CA 1 ? ? +1914 ATOM C C A GLY A 1 168 ? 24.625 -33.560 -47.178 0.40 41.40 ? 178 GLY A C 1 ? ? +1915 ATOM C C B GLY A 1 168 ? 24.615 -33.602 -47.161 0.60 41.18 ? 178 GLY A C 1 ? ? +1916 ATOM O O A GLY A 1 168 ? 24.752 -34.065 -48.291 0.40 41.56 ? 178 GLY A O 1 ? ? +1917 ATOM O O B GLY A 1 168 ? 24.730 -34.129 -48.266 0.60 41.34 ? 178 GLY A O 1 ? ? +1918 ATOM N N A THR A 1 169 ? 24.473 -34.268 -46.054 0.40 41.32 ? 179 THR A N 1 ? ? +1919 ATOM N N B THR A 1 169 ? 24.489 -34.287 -46.020 0.60 41.11 ? 179 THR A N 1 ? ? +1920 ATOM C CA A THR A 1 169 ? 24.331 -35.712 -46.068 0.40 41.45 ? 179 THR A CA 1 ? ? +1921 ATOM C CA B THR A 1 169 ? 24.360 -35.732 -46.005 0.60 41.27 ? 179 THR A CA 1 ? ? +1922 ATOM C C A THR A 1 169 ? 23.132 -36.119 -46.923 0.40 41.42 ? 179 THR A C 1 ? ? +1923 ATOM C C B THR A 1 169 ? 23.131 -36.194 -46.786 0.60 41.24 ? 179 THR A C 1 ? ? +1924 ATOM O O A THR A 1 169 ? 23.279 -36.912 -47.850 0.40 41.61 ? 179 THR A O 1 ? ? +1925 ATOM O O B THR A 1 169 ? 23.217 -37.167 -47.530 0.60 41.43 ? 179 THR A O 1 ? ? +1926 ATOM C CB A THR A 1 169 ? 24.213 -36.239 -44.641 0.40 41.40 ? 179 THR A CB 1 ? ? +1927 ATOM C CB B THR A 1 169 ? 24.314 -36.240 -44.569 0.60 41.23 ? 179 THR A CB 1 ? ? +1928 ATOM O OG1 A THR A 1 169 ? 25.391 -35.890 -43.903 0.40 41.47 ? 179 THR A OG1 1 ? ? +1929 ATOM O OG1 B THR A 1 169 ? 25.493 -35.821 -43.868 0.60 41.30 ? 179 THR A OG1 1 ? ? +1930 ATOM C CG2 A THR A 1 169 ? 24.004 -37.737 -44.605 0.40 41.55 ? 179 THR A CG2 1 ? ? +1931 ATOM C CG2 B THR A 1 169 ? 24.192 -37.740 -44.504 0.60 41.41 ? 179 THR A CG2 1 ? ? +1932 ATOM N N A PHE A 1 170 ? 21.955 -35.551 -46.618 0.40 41.19 ? 180 PHE A N 1 ? ? +1933 ATOM N N B PHE A 1 170 ? 21.995 -35.496 -46.625 0.60 41.01 ? 180 PHE A N 1 ? ? +1934 ATOM C CA A PHE A 1 170 ? 20.731 -35.881 -47.335 0.40 41.20 ? 180 PHE A CA 1 ? ? +1935 ATOM C CA B PHE A 1 170 ? 20.778 -35.872 -47.335 0.60 41.04 ? 180 PHE A CA 1 ? ? +1936 ATOM C C A PHE A 1 170 ? 20.922 -35.679 -48.835 0.40 41.38 ? 180 PHE A C 1 ? ? +1937 ATOM C C B PHE A 1 170 ? 20.939 -35.649 -48.836 0.60 41.21 ? 180 PHE A C 1 ? ? +1938 ATOM O O A PHE A 1 170 ? 20.471 -36.491 -49.642 0.40 41.51 ? 180 PHE A O 1 ? ? +1939 ATOM O O B PHE A 1 170 ? 20.474 -36.453 -49.642 0.60 41.33 ? 180 PHE A O 1 ? ? +1940 ATOM C CB A PHE A 1 170 ? 19.547 -35.034 -46.820 0.40 40.95 ? 180 PHE A CB 1 ? ? +1941 ATOM C CB B PHE A 1 170 ? 19.532 -35.116 -46.808 0.60 40.79 ? 180 PHE A CB 1 ? ? +1942 ATOM C CG A PHE A 1 170 ? 19.315 -35.180 -45.338 0.40 40.78 ? 180 PHE A CG 1 ? ? +1943 ATOM C CG B PHE A 1 170 ? 19.346 -35.212 -45.316 0.60 40.64 ? 180 PHE A CG 1 ? ? +1944 ATOM C CD1 A PHE A 1 170 ? 19.701 -36.328 -44.671 0.40 40.89 ? 180 PHE A CD1 1 ? ? +1945 ATOM C CD1 B PHE A 1 170 ? 19.615 -36.390 -44.641 0.60 40.75 ? 180 PHE A CD1 1 ? ? +1946 ATOM C CD2 A PHE A 1 170 ? 18.772 -34.148 -44.603 0.40 40.57 ? 180 PHE A CD2 1 ? ? +1947 ATOM C CD2 B PHE A 1 170 ? 18.910 -34.127 -44.587 0.60 40.42 ? 180 PHE A CD2 1 ? ? +1948 ATOM C CE1 A PHE A 1 170 ? 19.499 -36.459 -43.305 0.40 40.79 ? 180 PHE A CE1 1 ? ? +1949 ATOM C CE1 B PHE A 1 170 ? 19.446 -36.478 -43.266 0.60 40.66 ? 180 PHE A CE1 1 ? ? +1950 ATOM C CE2 A PHE A 1 170 ? 18.569 -34.281 -43.237 0.40 40.47 ? 180 PHE A CE2 1 ? ? +1951 ATOM C CE2 B PHE A 1 170 ? 18.732 -34.220 -43.213 0.60 40.33 ? 180 PHE A CE2 1 ? ? +1952 ATOM C CZ A PHE A 1 170 ? 18.937 -35.433 -42.594 0.40 40.57 ? 180 PHE A CZ 1 ? ? +1953 ATOM C CZ B PHE A 1 170 ? 19.003 -35.393 -42.559 0.60 40.44 ? 180 PHE A CZ 1 ? ? +1954 ATOM N N A ASN A 1 171 ? 21.621 -34.598 -49.196 0.40 41.43 ? 181 ASN A N 1 ? ? +1955 ATOM N N B ASN A 1 171 ? 21.629 -34.563 -49.203 0.60 41.25 ? 181 ASN A N 1 ? ? +1956 ATOM C CA A ASN A 1 171 ? 21.879 -34.300 -50.594 0.40 41.66 ? 181 ASN A CA 1 ? ? +1957 ATOM C CA B ASN A 1 171 ? 21.919 -34.300 -50.602 0.60 41.48 ? 181 ASN A CA 1 ? ? +1958 ATOM C C A ASN A 1 171 ? 22.687 -35.434 -51.218 0.40 41.99 ? 181 ASN A C 1 ? ? +1959 ATOM C C B ASN A 1 171 ? 22.707 -35.458 -51.208 0.60 41.81 ? 181 ASN A C 1 ? ? +1960 ATOM O O A ASN A 1 171 ? 22.430 -35.846 -52.348 0.40 42.19 ? 181 ASN A O 1 ? ? +1961 ATOM O O B ASN A 1 171 ? 22.430 -35.896 -52.323 0.60 42.01 ? 181 ASN A O 1 ? ? +1962 ATOM C CB A ASN A 1 171 ? 22.602 -32.973 -50.745 0.40 41.64 ? 181 ASN A CB 1 ? ? +1963 ATOM C CB B ASN A 1 171 ? 22.677 -33.004 -50.768 0.60 41.48 ? 181 ASN A CB 1 ? ? +1964 ATOM C CG A ASN A 1 171 ? 22.744 -32.542 -52.178 0.40 41.84 ? 181 ASN A CG 1 ? ? +1965 ATOM C CG B ASN A 1 171 ? 22.845 -32.628 -52.209 0.60 41.70 ? 181 ASN A CG 1 ? ? +1966 ATOM O OD1 A ASN A 1 171 ? 23.820 -32.559 -52.761 0.40 42.07 ? 181 ASN A OD1 1 ? ? +1967 ATOM O OD1 B ASN A 1 171 ? 23.908 -32.756 -52.798 0.60 41.94 ? 181 ASN A OD1 1 ? ? +1968 ATOM N ND2 A ASN A 1 171 ? 21.647 -32.155 -52.796 0.40 41.83 ? 181 ASN A ND2 1 ? ? +1969 ATOM N ND2 B ASN A 1 171 ? 21.785 -32.178 -52.838 0.60 41.70 ? 181 ASN A ND2 1 ? ? +1970 ATOM N N A PHE A 1 172 ? 23.663 -35.937 -50.460 0.40 42.10 ? 182 PHE A N 1 ? ? +1971 ATOM N N B PHE A 1 172 ? 23.689 -35.953 -50.453 0.60 41.91 ? 182 PHE A N 1 ? ? +1972 ATOM C CA A PHE A 1 172 ? 24.536 -36.992 -50.936 0.40 42.43 ? 182 PHE A CA 1 ? ? +1973 ATOM C CA B PHE A 1 172 ? 24.536 -37.039 -50.910 0.60 42.25 ? 182 PHE A CA 1 ? ? +1974 ATOM C C A PHE A 1 172 ? 23.713 -38.256 -51.153 0.40 42.54 ? 182 PHE A C 1 ? ? +1975 ATOM C C B PHE A 1 172 ? 23.702 -38.295 -51.134 0.60 42.34 ? 182 PHE A C 1 ? ? +1976 ATOM O O A PHE A 1 172 ? 23.842 -38.932 -52.166 0.40 42.79 ? 182 PHE A O 1 ? ? +1977 ATOM O O B PHE A 1 172 ? 23.831 -38.962 -52.152 0.60 42.59 ? 182 PHE A O 1 ? ? +1978 ATOM C CB A PHE A 1 172 ? 25.665 -37.218 -49.922 0.40 42.50 ? 182 PHE A CB 1 ? ? +1979 ATOM C CB B PHE A 1 172 ? 25.649 -37.282 -49.879 0.60 42.31 ? 182 PHE A CB 1 ? ? +1980 ATOM C CG A PHE A 1 172 ? 26.571 -38.378 -50.217 0.40 42.82 ? 182 PHE A CG 1 ? ? +1981 ATOM C CG B PHE A 1 172 ? 26.568 -38.430 -50.168 0.60 42.63 ? 182 PHE A CG 1 ? ? +1982 ATOM C CD1 A PHE A 1 172 ? 27.607 -38.254 -51.123 0.40 43.11 ? 182 PHE A CD1 1 ? ? +1983 ATOM C CD1 B PHE A 1 172 ? 27.624 -38.285 -51.047 0.60 42.91 ? 182 PHE A CD1 1 ? ? +1984 ATOM C CD2 A PHE A 1 172 ? 26.388 -39.594 -49.587 0.40 42.89 ? 182 PHE A CD2 1 ? ? +1985 ATOM C CD2 B PHE A 1 172 ? 26.383 -39.656 -49.555 0.60 42.69 ? 182 PHE A CD2 1 ? ? +1986 ATOM C CE1 A PHE A 1 172 ? 28.445 -39.325 -51.387 0.40 43.42 ? 182 PHE A CE1 1 ? ? +1987 ATOM C CE1 B PHE A 1 172 ? 28.479 -39.347 -51.305 0.60 43.24 ? 182 PHE A CE1 1 ? ? +1988 ATOM C CE2 A PHE A 1 172 ? 27.219 -40.664 -49.857 0.40 43.21 ? 182 PHE A CE2 1 ? ? +1989 ATOM C CE2 B PHE A 1 172 ? 27.228 -40.716 -49.818 0.60 43.02 ? 182 PHE A CE2 1 ? ? +1990 ATOM C CZ A PHE A 1 172 ? 28.244 -40.526 -50.755 0.40 43.47 ? 182 PHE A CZ 1 ? ? +1991 ATOM C CZ B PHE A 1 172 ? 28.275 -40.558 -50.690 0.60 43.29 ? 182 PHE A CZ 1 ? ? +1992 ATOM N N A MET A 1 173 ? 22.845 -38.548 -50.184 0.40 42.41 ? 183 MET A N 1 ? ? +1993 ATOM N N B MET A 1 173 ? 22.834 -38.598 -50.169 0.60 42.23 ? 183 MET A N 1 ? ? +1994 ATOM C CA A MET A 1 173 ? 21.994 -39.726 -50.226 0.40 42.53 ? 183 MET A CA 1 ? ? +1995 ATOM C CA B MET A 1 173 ? 21.972 -39.770 -50.230 0.60 42.33 ? 183 MET A CA 1 ? ? +1996 ATOM C C A MET A 1 173 ? 21.055 -39.751 -51.428 0.40 42.55 ? 183 MET A C 1 ? ? +1997 ATOM C C B MET A 1 173 ? 21.027 -39.783 -51.427 0.60 42.32 ? 183 MET A C 1 ? ? +1998 ATOM O O A MET A 1 173 ? 20.872 -40.796 -52.045 0.40 42.76 ? 183 MET A O 1 ? ? +1999 ATOM O O B MET A 1 173 ? 20.838 -40.824 -52.048 0.60 42.54 ? 183 MET A O 1 ? ? +2000 ATOM C CB A MET A 1 173 ? 21.155 -39.791 -48.947 0.40 42.37 ? 183 MET A CB 1 ? ? +2001 ATOM C CB B MET A 1 173 ? 21.128 -39.850 -48.958 0.60 42.21 ? 183 MET A CB 1 ? ? +2002 ATOM C CG A MET A 1 173 ? 21.970 -40.152 -47.744 0.40 42.41 ? 183 MET A CG 1 ? ? +2003 ATOM C CG B MET A 1 173 ? 21.935 -40.187 -47.756 0.60 42.25 ? 183 MET A CG 1 ? ? +2004 ATOM S SD A MET A 1 173 ? 20.970 -40.278 -46.261 0.40 42.28 ? 183 MET A SD 1 ? ? +2005 ATOM S SD B MET A 1 173 ? 20.928 -40.217 -46.289 0.60 42.14 ? 183 MET A SD 1 ? ? +2006 ATOM C CE A MET A 1 173 ? 20.548 -41.978 -46.301 0.40 42.50 ? 183 MET A CE 1 ? ? +2007 ATOM C CE B MET A 1 173 ? 20.527 -41.915 -46.218 0.60 42.36 ? 183 MET A CE 1 ? ? +2008 ATOM N N A ILE A 1 174 ? 20.466 -38.595 -51.750 0.40 42.37 ? 184 ILE A N 1 ? ? +2009 ATOM N N B ILE A 1 174 ? 20.443 -38.623 -51.738 0.60 42.11 ? 184 ILE A N 1 ? ? +2010 ATOM C CA A ILE A 1 174 ? 19.426 -38.525 -52.765 0.40 42.43 ? 184 ILE A CA 1 ? ? +2011 ATOM C CA B ILE A 1 174 ? 19.422 -38.531 -52.774 0.60 42.15 ? 184 ILE A CA 1 ? ? +2012 ATOM C C A ILE A 1 174 ? 20.033 -38.658 -54.159 0.40 42.65 ? 184 ILE A C 1 ? ? +2013 ATOM C C B ILE A 1 174 ? 20.036 -38.657 -54.165 0.60 42.34 ? 184 ILE A C 1 ? ? +2014 ATOM O O A ILE A 1 174 ? 19.515 -39.381 -55.012 0.40 42.82 ? 184 ILE A O 1 ? ? +2015 ATOM O O B ILE A 1 174 ? 19.521 -39.382 -55.022 0.60 42.50 ? 184 ILE A O 1 ? ? +2016 ATOM C CB A ILE A 1 174 ? 18.594 -37.219 -52.606 0.40 42.21 ? 184 ILE A CB 1 ? ? +2017 ATOM C CB B ILE A 1 174 ? 18.606 -37.217 -52.604 0.60 41.92 ? 184 ILE A CB 1 ? ? +2018 ATOM C CG1 A ILE A 1 174 ? 17.836 -37.189 -51.263 0.40 41.97 ? 184 ILE A CG1 1 ? ? +2019 ATOM C CG1 B ILE A 1 174 ? 17.812 -37.211 -51.279 0.60 41.69 ? 184 ILE A CG1 1 ? ? +2020 ATOM C CG2 A ILE A 1 174 ? 17.630 -37.031 -53.773 0.40 42.34 ? 184 ILE A CG2 1 ? ? +2021 ATOM C CG2 B ILE A 1 174 ? 17.669 -36.992 -53.777 0.60 42.06 ? 184 ILE A CG2 1 ? ? +2022 ATOM C CD1 A ILE A 1 174 ? 17.364 -35.823 -50.864 0.40 41.74 ? 184 ILE A CD1 1 ? ? +2023 ATOM C CD1 B ILE A 1 174 ? 17.322 -35.849 -50.860 0.60 41.44 ? 184 ILE A CD1 1 ? ? +2024 ATOM N N A VAL A 1 175 ? 21.149 -37.953 -54.369 0.40 42.67 ? 185 VAL A N 1 ? ? +2025 ATOM N N B VAL A 1 175 ? 21.146 -37.940 -54.373 0.60 42.33 ? 185 VAL A N 1 ? ? +2026 ATOM C CA A VAL A 1 175 ? 21.883 -38.045 -55.619 0.40 42.93 ? 185 VAL A CA 1 ? ? +2027 ATOM C CA B VAL A 1 175 ? 21.887 -38.030 -55.620 0.60 42.57 ? 185 VAL A CA 1 ? ? +2028 ATOM C C A VAL A 1 175 ? 22.394 -39.468 -55.822 0.40 43.17 ? 185 VAL A C 1 ? ? +2029 ATOM C C B VAL A 1 175 ? 22.400 -39.452 -55.829 0.60 42.79 ? 185 VAL A C 1 ? ? +2030 ATOM O O A VAL A 1 175 ? 22.400 -39.977 -56.939 0.40 43.40 ? 185 VAL A O 1 ? ? +2031 ATOM O O B VAL A 1 175 ? 22.401 -39.951 -56.950 0.60 43.02 ? 185 VAL A O 1 ? ? +2032 ATOM C CB A VAL A 1 175 ? 23.029 -37.010 -55.670 0.40 42.92 ? 185 VAL A CB 1 ? ? +2033 ATOM C CB B VAL A 1 175 ? 23.030 -36.985 -55.670 0.60 42.56 ? 185 VAL A CB 1 ? ? +2034 ATOM C CG1 A VAL A 1 175 ? 23.814 -37.133 -56.958 0.40 43.24 ? 185 VAL A CG1 1 ? ? +2035 ATOM C CG1 B VAL A 1 175 ? 23.875 -37.161 -56.908 0.60 42.87 ? 185 VAL A CG1 1 ? ? +2036 ATOM C CG2 A VAL A 1 175 ? 22.489 -35.598 -55.497 0.40 42.70 ? 185 VAL A CG2 1 ? ? +2037 ATOM C CG2 B VAL A 1 175 ? 22.472 -35.573 -55.605 0.60 42.35 ? 185 VAL A CG2 1 ? ? +2038 ATOM N N A PHE A 1 176 ? 22.793 -40.118 -54.727 0.40 43.17 ? 186 PHE A N 1 ? ? +2039 ATOM N N B PHE A 1 176 ? 22.801 -40.108 -54.739 0.60 42.77 ? 186 PHE A N 1 ? ? +2040 ATOM C CA A PHE A 1 176 ? 23.341 -41.462 -54.803 0.40 43.50 ? 186 PHE A CA 1 ? ? +2041 ATOM C CA B PHE A 1 176 ? 23.336 -41.458 -54.816 0.60 43.09 ? 186 PHE A CA 1 ? ? +2042 ATOM C C A PHE A 1 176 ? 22.277 -42.418 -55.336 0.40 43.75 ? 186 PHE A C 1 ? ? +2043 ATOM C C B PHE A 1 176 ? 22.267 -42.405 -55.356 0.60 43.33 ? 186 PHE A C 1 ? ? +2044 ATOM O O A PHE A 1 176 ? 22.555 -43.256 -56.193 0.40 44.05 ? 186 PHE A O 1 ? ? +2045 ATOM O O B PHE A 1 176 ? 22.533 -43.213 -56.246 0.60 43.63 ? 186 PHE A O 1 ? ? +2046 ATOM C CB A PHE A 1 176 ? 23.861 -41.917 -53.430 0.40 43.40 ? 186 PHE A CB 1 ? ? +2047 ATOM C CB B PHE A 1 176 ? 23.859 -41.918 -53.440 0.60 43.00 ? 186 PHE A CB 1 ? ? +2048 ATOM C CG A PHE A 1 176 ? 25.010 -42.892 -53.505 0.40 43.69 ? 186 PHE A CG 1 ? ? +2049 ATOM C CG B PHE A 1 176 ? 24.992 -42.911 -53.499 0.60 43.30 ? 186 PHE A CG 1 ? ? +2050 ATOM C CD1 A PHE A 1 176 ? 24.800 -44.210 -53.864 0.40 43.94 ? 186 PHE A CD1 1 ? ? +2051 ATOM C CD1 B PHE A 1 176 ? 24.756 -44.240 -53.795 0.60 43.54 ? 186 PHE A CD1 1 ? ? +2052 ATOM C CD2 A PHE A 1 176 ? 26.311 -42.480 -53.248 0.40 43.77 ? 186 PHE A CD2 1 ? ? +2053 ATOM C CD2 B PHE A 1 176 ? 26.306 -42.508 -53.281 0.60 43.38 ? 186 PHE A CD2 1 ? ? +2054 ATOM C CE1 A PHE A 1 176 ? 25.866 -45.102 -53.938 0.40 44.24 ? 186 PHE A CE1 1 ? ? +2055 ATOM C CE1 B PHE A 1 176 ? 25.811 -45.152 -53.851 0.60 43.84 ? 186 PHE A CE1 1 ? ? +2056 ATOM C CE2 A PHE A 1 176 ? 27.370 -43.373 -53.333 0.40 44.07 ? 186 PHE A CE2 1 ? ? +2057 ATOM C CE2 B PHE A 1 176 ? 27.353 -43.419 -53.354 0.60 43.68 ? 186 PHE A CE2 1 ? ? +2058 ATOM C CZ A PHE A 1 176 ? 27.143 -44.676 -53.675 0.40 44.30 ? 186 PHE A CZ 1 ? ? +2059 ATOM C CZ B PHE A 1 176 ? 27.102 -44.733 -53.633 0.60 43.90 ? 186 PHE A CZ 1 ? ? +2060 ATOM N N A GLN A 1 177 ? 21.049 -42.263 -54.825 0.40 43.70 ? 187 GLN A N 1 ? ? +2061 ATOM N N B GLN A 1 177 ? 21.044 -42.274 -54.819 0.60 43.25 ? 187 GLN A N 1 ? ? +2062 ATOM C CA A GLN A 1 177 ? 19.916 -43.063 -55.259 0.40 43.93 ? 187 GLN A CA 1 ? ? +2063 ATOM C CA B GLN A 1 177 ? 19.910 -43.076 -55.247 0.60 43.45 ? 187 GLN A CA 1 ? ? +2064 ATOM C C A GLN A 1 177 ? 19.645 -42.861 -56.745 0.40 44.25 ? 187 GLN A C 1 ? ? +2065 ATOM C C B GLN A 1 177 ? 19.620 -42.867 -56.729 0.60 43.74 ? 187 GLN A C 1 ? ? +2066 ATOM O O A GLN A 1 177 ? 19.426 -43.820 -57.475 0.40 44.53 ? 187 GLN A O 1 ? ? +2067 ATOM O O B GLN A 1 177 ? 19.394 -43.826 -57.456 0.60 44.02 ? 187 GLN A O 1 ? ? +2068 ATOM C CB A GLN A 1 177 ? 18.672 -42.707 -54.434 0.40 43.69 ? 187 GLN A CB 1 ? ? +2069 ATOM C CB B GLN A 1 177 ? 18.679 -42.741 -54.380 0.60 43.22 ? 187 GLN A CB 1 ? ? +2070 ATOM C CG A GLN A 1 177 ? 17.397 -43.313 -54.985 0.40 43.86 ? 187 GLN A CG 1 ? ? +2071 ATOM C CG B GLN A 1 177 ? 17.378 -43.356 -54.873 0.60 43.37 ? 187 GLN A CG 1 ? ? +2072 ATOM C CD A GLN A 1 177 ? 17.449 -44.819 -55.005 0.40 44.14 ? 187 GLN A CD 1 ? ? +2073 ATOM C CD B GLN A 1 177 ? 17.436 -44.862 -54.957 0.60 43.67 ? 187 GLN A CD 1 ? ? +2074 ATOM O OE1 A GLN A 1 177 ? 18.267 -45.456 -54.324 0.40 44.15 ? 187 GLN A OE1 1 ? ? +2075 ATOM O OE1 B GLN A 1 177 ? 18.203 -45.535 -54.258 0.60 43.68 ? 187 GLN A OE1 1 ? ? +2076 ATOM N NE2 A GLN A 1 177 ? 16.553 -45.425 -55.779 0.40 44.38 ? 187 GLN A NE2 1 ? ? +2077 ATOM N NE2 B GLN A 1 177 ? 16.589 -45.430 -55.806 0.60 43.92 ? 187 GLN A NE2 1 ? ? +2078 ATOM N N A ALA A 1 178 ? 19.664 -41.603 -57.188 0.40 44.32 ? 188 ALA A N 1 ? ? +2079 ATOM N N B ALA A 1 178 ? 19.635 -41.606 -57.168 0.60 43.76 ? 188 ALA A N 1 ? ? +2080 ATOM C CA A ALA A 1 178 ? 19.449 -41.280 -58.588 0.40 44.71 ? 188 ALA A CA 1 ? ? +2081 ATOM C CA B ALA A 1 178 ? 19.450 -41.275 -58.572 0.60 44.12 ? 188 ALA A CA 1 ? ? +2082 ATOM C C A ALA A 1 178 ? 20.503 -41.871 -59.524 0.40 45.28 ? 188 ALA A C 1 ? ? +2083 ATOM C C B ALA A 1 178 ? 20.497 -41.894 -59.500 0.60 44.65 ? 188 ALA A C 1 ? ? +2084 ATOM O O A ALA A 1 178 ? 20.208 -42.205 -60.670 0.40 45.60 ? 188 ALA A O 1 ? ? +2085 ATOM O O B ALA A 1 178 ? 20.177 -42.307 -60.613 0.60 44.99 ? 188 ALA A O 1 ? ? +2086 ATOM C CB A ALA A 1 178 ? 19.420 -39.777 -58.759 0.40 44.54 ? 188 ALA A CB 1 ? ? +2087 ATOM C CB B ALA A 1 178 ? 19.472 -39.773 -58.741 0.60 43.94 ? 188 ALA A CB 1 ? ? +2088 ATOM N N A GLU A 1 179 ? 21.749 -41.978 -59.047 0.40 45.50 ? 189 GLU A N 1 ? ? +2089 ATOM N N B GLU A 1 179 ? 21.758 -41.936 -59.052 0.60 44.84 ? 189 GLU A N 1 ? ? +2090 ATOM C CA A GLU A 1 179 ? 22.843 -42.356 -59.924 0.40 46.00 ? 189 GLU A CA 1 ? ? +2091 ATOM C CA B GLU A 1 179 ? 22.846 -42.333 -59.929 0.60 45.29 ? 189 GLU A CA 1 ? ? +2092 ATOM C C A GLU A 1 179 ? 23.191 -43.839 -59.833 0.40 46.16 ? 189 GLU A C 1 ? ? +2093 ATOM C C B GLU A 1 179 ? 23.202 -43.814 -59.828 0.60 45.45 ? 189 GLU A C 1 ? ? +2094 ATOM O O A GLU A 1 179 ? 23.768 -44.386 -60.769 0.40 46.46 ? 189 GLU A O 1 ? ? +2095 ATOM O O B GLU A 1 179 ? 23.804 -44.350 -60.752 0.60 45.74 ? 189 GLU A O 1 ? ? +2096 ATOM C CB A GLU A 1 179 ? 24.072 -41.481 -59.642 0.40 46.22 ? 189 GLU A CB 1 ? ? +2097 ATOM C CB B GLU A 1 179 ? 24.069 -41.449 -59.664 0.60 45.49 ? 189 GLU A CB 1 ? ? +2098 ATOM C CG A GLU A 1 179 ? 23.906 -40.065 -60.177 0.40 46.40 ? 189 GLU A CG 1 ? ? +2099 ATOM C CG B GLU A 1 179 ? 23.834 -40.002 -60.089 0.60 45.59 ? 189 GLU A CG 1 ? ? +2100 ATOM C CD A GLU A 1 179 ? 25.001 -39.081 -59.817 0.40 46.61 ? 189 GLU A CD 1 ? ? +2101 ATOM C CD B GLU A 1 179 ? 24.975 -39.039 -59.836 0.60 45.81 ? 189 GLU A CD 1 ? ? +2102 ATOM O OE1 A GLU A 1 179 ? 25.787 -39.376 -58.889 0.40 47.03 ? 189 GLU A OE1 1 ? ? +2103 ATOM O OE1 B GLU A 1 179 ? 25.913 -39.418 -59.106 0.60 46.28 ? 189 GLU A OE1 1 ? ? +2104 ATOM O OE2 A GLU A 1 179 ? 25.075 -38.013 -60.460 0.40 46.95 ? 189 GLU A OE2 1 ? ? +2105 ATOM O OE2 B GLU A 1 179 ? 24.935 -37.904 -60.355 0.60 46.05 ? 189 GLU A OE2 1 ? ? +2106 ATOM N N A HIS A 1 180 ? 22.793 -44.492 -58.734 0.40 45.94 ? 190 HIS A N 1 ? ? +2107 ATOM N N B HIS A 1 180 ? 22.793 -44.473 -58.734 0.60 45.24 ? 190 HIS A N 1 ? ? +2108 ATOM C CA A HIS A 1 180 ? 23.157 -45.881 -58.501 0.40 46.11 ? 190 HIS A CA 1 ? ? +2109 ATOM C CA B HIS A 1 180 ? 23.146 -45.865 -58.497 0.60 45.42 ? 190 HIS A CA 1 ? ? +2110 ATOM C C A HIS A 1 180 ? 22.013 -46.808 -58.086 0.40 46.04 ? 190 HIS A C 1 ? ? +2111 ATOM C C B HIS A 1 180 ? 22.007 -46.800 -58.084 0.60 45.36 ? 190 HIS A C 1 ? ? +2112 ATOM O O A HIS A 1 180 ? 22.223 -48.005 -57.894 0.40 46.22 ? 190 HIS A O 1 ? ? +2113 ATOM O O B HIS A 1 180 ? 22.216 -48.006 -57.954 0.60 45.56 ? 190 HIS A O 1 ? ? +2114 ATOM C CB A HIS A 1 180 ? 24.224 -45.926 -57.418 0.40 46.08 ? 190 HIS A CB 1 ? ? +2115 ATOM C CB B HIS A 1 180 ? 24.207 -45.906 -57.410 0.60 45.37 ? 190 HIS A CB 1 ? ? +2116 ATOM C CG A HIS A 1 180 ? 25.448 -45.125 -57.738 0.40 46.18 ? 190 HIS A CG 1 ? ? +2117 ATOM C CG B HIS A 1 180 ? 25.437 -45.118 -57.738 0.60 45.47 ? 190 HIS A CG 1 ? ? +2118 ATOM N ND1 A HIS A 1 180 ? 26.355 -45.548 -58.685 0.40 46.57 ? 190 HIS A ND1 1 ? ? +2119 ATOM N ND1 B HIS A 1 180 ? 26.324 -45.544 -58.697 0.60 45.85 ? 190 HIS A ND1 1 ? ? +2120 ATOM C CD2 A HIS A 1 180 ? 25.883 -43.963 -57.205 0.40 45.98 ? 190 HIS A CD2 1 ? ? +2121 ATOM C CD2 B HIS A 1 180 ? 25.889 -43.963 -57.206 0.60 45.26 ? 190 HIS A CD2 1 ? ? +2122 ATOM C CE1 A HIS A 1 180 ? 27.314 -44.630 -58.710 0.40 46.60 ? 190 HIS A CE1 1 ? ? +2123 ATOM C CE1 B HIS A 1 180 ? 27.291 -44.634 -58.731 0.60 45.88 ? 190 HIS A CE1 1 ? ? +2124 ATOM N NE2 A HIS A 1 180 ? 27.070 -43.658 -57.829 0.40 46.23 ? 190 HIS A NE2 1 ? ? +2125 ATOM N NE2 B HIS A 1 180 ? 27.068 -43.666 -57.844 0.60 45.52 ? 190 HIS A NE2 1 ? ? +2126 ATOM N N A ASN A 1 181 ? 20.805 -46.250 -57.952 0.40 45.73 ? 191 ASN A N 1 ? ? +2127 ATOM N N B ASN A 1 181 ? 20.807 -46.242 -57.879 0.60 45.08 ? 191 ASN A N 1 ? ? +2128 ATOM C CA A ASN A 1 181 ? 19.665 -46.994 -57.446 0.40 45.65 ? 191 ASN A CA 1 ? ? +2129 ATOM C CA B ASN A 1 181 ? 19.671 -46.998 -57.381 0.60 45.01 ? 191 ASN A CA 1 ? ? +2130 ATOM C C A ASN A 1 181 ? 20.083 -47.888 -56.285 0.40 45.64 ? 191 ASN A C 1 ? ? +2131 ATOM C C B ASN A 1 181 ? 20.074 -47.884 -56.205 0.60 45.01 ? 191 ASN A C 1 ? ? +2132 ATOM O O A ASN A 1 181 ? 19.887 -49.099 -56.337 0.40 45.90 ? 191 ASN A O 1 ? ? +2133 ATOM O O B ASN A 1 181 ? 19.840 -49.090 -56.222 0.60 45.26 ? 191 ASN A O 1 ? ? +2134 ATOM C CB A ASN A 1 181 ? 19.037 -47.837 -58.534 0.40 45.96 ? 191 ASN A CB 1 ? ? +2135 ATOM C CB B ASN A 1 181 ? 19.061 -47.826 -58.491 0.60 45.32 ? 191 ASN A CB 1 ? ? +2136 ATOM C CG A ASN A 1 181 ? 17.618 -48.288 -58.211 0.40 45.98 ? 191 ASN A CG 1 ? ? +2137 ATOM C CG B ASN A 1 181 ? 17.623 -48.258 -58.208 0.60 45.34 ? 191 ASN A CG 1 ? ? +2138 ATOM O OD1 A ASN A 1 181 ? 17.000 -47.902 -57.206 0.40 45.67 ? 191 ASN A OD1 1 ? ? +2139 ATOM O OD1 B ASN A 1 181 ? 16.989 -47.878 -57.211 0.60 45.04 ? 191 ASN A OD1 1 ? ? +2140 ATOM N ND2 A ASN A 1 181 ? 17.074 -49.117 -59.068 0.40 46.29 ? 191 ASN A ND2 1 ? ? +2141 ATOM N ND2 B ASN A 1 181 ? 17.085 -49.060 -59.088 0.60 45.66 ? 191 ASN A ND2 1 ? ? +2142 ATOM N N A ILE A 1 182 ? 20.645 -47.272 -55.237 0.40 45.36 ? 192 ILE A N 1 ? ? +2143 ATOM N N B ILE A 1 182 ? 20.681 -47.263 -55.183 0.60 44.77 ? 192 ILE A N 1 ? ? +2144 ATOM C CA A ILE A 1 182 ? 21.178 -47.998 -54.094 0.40 45.35 ? 192 ILE A CA 1 ? ? +2145 ATOM C CA B ILE A 1 182 ? 21.200 -47.978 -54.027 0.60 44.78 ? 192 ILE A CA 1 ? ? +2146 ATOM C C A ILE A 1 182 ? 20.132 -48.822 -53.339 0.40 45.35 ? 192 ILE A C 1 ? ? +2147 ATOM C C B ILE A 1 182 ? 20.155 -48.809 -53.279 0.60 44.80 ? 192 ILE A C 1 ? ? +2148 ATOM O O A ILE A 1 182 ? 20.434 -49.900 -52.830 0.40 45.51 ? 192 ILE A O 1 ? ? +2149 ATOM O O B ILE A 1 182 ? 20.471 -49.868 -52.742 0.60 44.96 ? 192 ILE A O 1 ? ? +2150 ATOM C CB A ILE A 1 182 ? 21.905 -46.979 -53.171 0.40 45.07 ? 192 ILE A CB 1 ? ? +2151 ATOM C CB B ILE A 1 182 ? 21.913 -46.966 -53.079 0.60 44.48 ? 192 ILE A CB 1 ? ? +2152 ATOM C CG1 A ILE A 1 182 ? 22.491 -47.665 -51.921 0.40 45.09 ? 192 ILE A CG1 1 ? ? +2153 ATOM C CG1 B ILE A 1 182 ? 22.500 -47.681 -51.846 0.60 44.52 ? 192 ILE A CG1 1 ? ? +2154 ATOM C CG2 A ILE A 1 182 ? 20.983 -45.816 -52.801 0.40 44.72 ? 192 ILE A CG2 1 ? ? +2155 ATOM C CG2 B ILE A 1 182 ? 20.981 -45.817 -52.669 0.60 44.13 ? 192 ILE A CG2 1 ? ? +2156 ATOM C CD1 A ILE A 1 182 ? 23.368 -46.773 -51.080 0.40 44.89 ? 192 ILE A CD1 1 ? ? +2157 ATOM C CD1 B ILE A 1 182 ? 23.430 -46.858 -51.022 0.60 44.34 ? 192 ILE A CD1 1 ? ? +2158 ATOM N N A LEU A 1 183 ? 18.890 -48.334 -53.272 0.40 45.17 ? 193 LEU A N 1 ? ? +2159 ATOM N N B LEU A 1 183 ? 18.900 -48.345 -53.251 0.60 44.67 ? 193 LEU A N 1 ? ? +2160 ATOM C CA A LEU A 1 183 ? 17.854 -49.057 -52.549 0.40 45.21 ? 193 LEU A CA 1 ? ? +2161 ATOM C CA B LEU A 1 183 ? 17.853 -49.074 -52.547 0.60 44.73 ? 193 LEU A CA 1 ? ? +2162 ATOM C C A LEU A 1 183 ? 17.689 -50.480 -53.080 0.40 45.61 ? 193 LEU A C 1 ? ? +2163 ATOM C C B LEU A 1 183 ? 17.669 -50.490 -53.094 0.60 45.15 ? 193 LEU A C 1 ? ? +2164 ATOM O O A LEU A 1 183 ? 17.395 -51.401 -52.318 0.40 45.72 ? 193 LEU A O 1 ? ? +2165 ATOM O O B LEU A 1 183 ? 17.381 -51.414 -52.332 0.60 45.26 ? 193 LEU A O 1 ? ? +2166 ATOM C CB A LEU A 1 183 ? 16.533 -48.296 -52.613 0.40 45.01 ? 193 LEU A CB 1 ? ? +2167 ATOM C CB B LEU A 1 183 ? 16.541 -48.295 -52.600 0.60 44.53 ? 193 LEU A CB 1 ? ? +2168 ATOM C CG A LEU A 1 183 ? 16.502 -47.039 -51.767 0.40 44.63 ? 193 LEU A CG 1 ? ? +2169 ATOM C CG B LEU A 1 183 ? 16.526 -47.028 -51.758 0.60 44.14 ? 193 LEU A CG 1 ? ? +2170 ATOM C CD1 A LEU A 1 183 ? 15.213 -46.281 -51.973 0.40 44.52 ? 193 LEU A CD1 1 ? ? +2171 ATOM C CD1 B LEU A 1 183 ? 15.268 -46.231 -52.006 0.60 44.03 ? 193 LEU A CD1 1 ? ? +2172 ATOM C CD2 A LEU A 1 183 ? 16.690 -47.370 -50.303 0.40 44.53 ? 193 LEU A CD2 1 ? ? +2173 ATOM C CD2 B LEU A 1 183 ? 16.659 -47.350 -50.285 0.60 44.04 ? 193 LEU A CD2 1 ? ? +2174 ATOM N N A MET A 1 184 ? 17.927 -50.654 -54.385 0.40 45.84 ? 194 MET A N 1 ? ? +2175 ATOM N N B MET A 1 184 ? 17.899 -50.659 -54.402 0.60 45.41 ? 194 MET A N 1 ? ? +2176 ATOM C CA A MET A 1 184 ? 17.785 -51.949 -55.029 0.40 46.25 ? 194 MET A CA 1 ? ? +2177 ATOM C CA B MET A 1 184 ? 17.782 -51.953 -55.052 0.60 45.86 ? 194 MET A CA 1 ? ? +2178 ATOM C C A MET A 1 184 ? 19.097 -52.734 -55.059 0.40 46.48 ? 194 MET A C 1 ? ? +2179 ATOM C C B MET A 1 184 ? 19.094 -52.740 -55.074 0.60 46.11 ? 194 MET A C 1 ? ? +2180 ATOM O O A MET A 1 184 ? 19.201 -53.751 -55.737 0.40 46.85 ? 194 MET A O 1 ? ? +2181 ATOM O O B MET A 1 184 ? 19.192 -53.762 -55.748 0.60 46.47 ? 194 MET A O 1 ? ? +2182 ATOM C CB A MET A 1 184 ? 17.267 -51.749 -56.456 0.40 46.45 ? 194 MET A CB 1 ? ? +2183 ATOM C CB B MET A 1 184 ? 17.285 -51.742 -56.486 0.60 46.06 ? 194 MET A CB 1 ? ? +2184 ATOM C CG A MET A 1 184 ? 15.838 -51.225 -56.498 0.40 46.39 ? 194 MET A CG 1 ? ? +2185 ATOM C CG B MET A 1 184 ? 15.857 -51.212 -56.550 0.60 46.02 ? 194 MET A CG 1 ? ? +2186 ATOM S SD A MET A 1 184 ? 14.583 -52.426 -55.985 0.40 46.69 ? 194 MET A SD 1 ? ? +2187 ATOM S SD B MET A 1 184 ? 14.598 -52.395 -56.000 0.60 46.31 ? 194 MET A SD 1 ? ? +2188 ATOM C CE A MET A 1 184 ? 14.628 -53.504 -57.331 0.40 47.19 ? 194 MET A CE 1 ? ? +2189 ATOM C CE B MET A 1 184 ? 14.639 -53.513 -57.305 0.60 46.82 ? 194 MET A CE 1 ? ? +2190 ATOM N N A HIS A 1 185 ? 20.104 -52.268 -54.312 0.40 46.30 ? 195 HIS A N 1 ? ? +2191 ATOM N N B HIS A 1 185 ? 20.106 -52.275 -54.331 0.60 45.95 ? 195 HIS A N 1 ? ? +2192 ATOM C CA A HIS A 1 185 ? 21.366 -52.989 -54.233 0.40 46.52 ? 195 HIS A CA 1 ? ? +2193 ATOM C CA B HIS A 1 185 ? 21.371 -52.992 -54.249 0.60 46.19 ? 195 HIS A CA 1 ? ? +2194 ATOM C C A HIS A 1 185 ? 21.377 -53.904 -53.012 0.40 46.58 ? 195 HIS A C 1 ? ? +2195 ATOM C C B HIS A 1 185 ? 21.372 -53.910 -53.029 0.60 46.27 ? 195 HIS A C 1 ? ? +2196 ATOM O O A HIS A 1 185 ? 21.102 -53.469 -51.902 0.40 46.31 ? 195 HIS A O 1 ? ? +2197 ATOM O O B HIS A 1 185 ? 21.101 -53.475 -51.918 0.60 45.99 ? 195 HIS A O 1 ? ? +2198 ATOM C CB A HIS A 1 185 ? 22.551 -52.017 -54.199 0.40 46.36 ? 195 HIS A CB 1 ? ? +2199 ATOM C CB B HIS A 1 185 ? 22.556 -52.022 -54.204 0.60 46.04 ? 195 HIS A CB 1 ? ? +2200 ATOM C CG A HIS A 1 185 ? 23.859 -52.665 -54.536 0.40 46.70 ? 195 HIS A CG 1 ? ? +2201 ATOM C CG B HIS A 1 185 ? 23.873 -52.664 -54.524 0.60 46.38 ? 195 HIS A CG 1 ? ? +2202 ATOM N ND1 A HIS A 1 185 ? 24.428 -53.604 -53.710 0.40 46.91 ? 195 HIS A ND1 1 ? ? +2203 ATOM N ND1 B HIS A 1 185 ? 24.415 -53.635 -53.716 0.60 46.59 ? 195 HIS A ND1 1 ? ? +2204 ATOM C CD2 A HIS A 1 185 ? 24.652 -52.496 -55.614 0.40 46.90 ? 195 HIS A CD2 1 ? ? +2205 ATOM C CD2 B HIS A 1 185 ? 24.703 -52.457 -55.567 0.60 46.57 ? 195 HIS A CD2 1 ? ? +2206 ATOM C CE1 A HIS A 1 185 ? 25.553 -53.976 -54.300 0.40 47.21 ? 195 HIS A CE1 1 ? ? +2207 ATOM C CE1 B HIS A 1 185 ? 25.556 -53.988 -54.282 0.60 46.90 ? 195 HIS A CE1 1 ? ? +2208 ATOM N NE2 A HIS A 1 185 ? 25.726 -53.328 -55.451 0.40 47.22 ? 195 HIS A NE2 1 ? ? +2209 ATOM N NE2 B HIS A 1 185 ? 25.769 -53.299 -55.402 0.60 46.90 ? 195 HIS A NE2 1 ? ? +2210 ATOM N N A PRO A 1 186 ? 21.676 -55.210 -53.174 0.40 47.00 ? 196 PRO A N 1 ? ? +2211 ATOM N N B PRO A 1 186 ? 21.666 -55.217 -53.188 0.60 46.73 ? 196 PRO A N 1 ? ? +2212 ATOM C CA A PRO A 1 186 ? 21.635 -56.144 -52.047 0.40 47.15 ? 196 PRO A CA 1 ? ? +2213 ATOM C CA B PRO A 1 186 ? 21.621 -56.148 -52.058 0.60 46.90 ? 196 PRO A CA 1 ? ? +2214 ATOM C C A PRO A 1 186 ? 22.579 -55.816 -50.891 0.40 47.02 ? 196 PRO A C 1 ? ? +2215 ATOM C C B PRO A 1 186 ? 22.569 -55.826 -50.903 0.60 46.81 ? 196 PRO A C 1 ? ? +2216 ATOM O O A PRO A 1 186 ? 22.325 -56.219 -49.759 0.40 47.04 ? 196 PRO A O 1 ? ? +2217 ATOM O O B PRO A 1 186 ? 22.312 -56.230 -49.773 0.60 46.84 ? 196 PRO A O 1 ? ? +2218 ATOM C CB A PRO A 1 186 ? 21.997 -57.498 -52.684 0.40 47.65 ? 196 PRO A CB 1 ? ? +2219 ATOM C CB B PRO A 1 186 ? 21.961 -57.510 -52.695 0.60 47.39 ? 196 PRO A CB 1 ? ? +2220 ATOM C CG A PRO A 1 186 ? 22.564 -57.189 -54.038 0.40 47.74 ? 196 PRO A CG 1 ? ? +2221 ATOM C CG B PRO A 1 186 ? 22.525 -57.215 -54.041 0.60 47.48 ? 196 PRO A CG 1 ? ? +2222 ATOM C CD A PRO A 1 186 ? 22.023 -55.851 -54.452 0.40 47.37 ? 196 PRO A CD 1 ? ? +2223 ATOM C CD B PRO A 1 186 ? 22.013 -55.869 -54.462 0.60 47.10 ? 196 PRO A CD 1 ? ? +2224 ATOM N N A PHE A 1 187 ? 23.671 -55.096 -51.170 0.40 46.92 ? 197 PHE A N 1 ? ? +2225 ATOM N N B PHE A 1 187 ? 23.664 -55.108 -51.177 0.60 46.74 ? 197 PHE A N 1 ? ? +2226 ATOM C CA A PHE A 1 187 ? 24.613 -54.740 -50.120 0.40 46.82 ? 197 PHE A CA 1 ? ? +2227 ATOM C CA B PHE A 1 187 ? 24.604 -54.765 -50.124 0.60 46.66 ? 197 PHE A CA 1 ? ? +2228 ATOM C C A PHE A 1 187 ? 24.068 -53.635 -49.222 0.40 46.34 ? 197 PHE A C 1 ? ? +2229 ATOM C C B PHE A 1 187 ? 24.073 -53.653 -49.225 0.60 46.19 ? 197 PHE A C 1 ? ? +2230 ATOM O O A PHE A 1 187 ? 24.406 -53.569 -48.042 0.40 46.23 ? 197 PHE A O 1 ? ? +2231 ATOM O O B PHE A 1 187 ? 24.409 -53.603 -48.043 0.60 46.08 ? 197 PHE A O 1 ? ? +2232 ATOM C CB A PHE A 1 187 ? 25.974 -54.315 -50.694 0.40 46.95 ? 197 PHE A CB 1 ? ? +2233 ATOM C CB B PHE A 1 187 ? 25.983 -54.383 -50.702 0.60 46.81 ? 197 PHE A CB 1 ? ? +2234 ATOM C CG A PHE A 1 187 ? 26.864 -55.475 -51.065 0.40 47.44 ? 197 PHE A CG 1 ? ? +2235 ATOM C CG B PHE A 1 187 ? 26.870 -55.554 -51.071 0.60 47.30 ? 197 PHE A CG 1 ? ? +2236 ATOM C CD1 A PHE A 1 187 ? 26.360 -56.756 -51.139 0.40 47.77 ? 197 PHE A CD1 1 ? ? +2237 ATOM C CD1 B PHE A 1 187 ? 26.365 -56.840 -51.127 0.60 47.65 ? 197 PHE A CD1 1 ? ? +2238 ATOM C CD2 A PHE A 1 187 ? 28.204 -55.284 -51.320 0.40 47.63 ? 197 PHE A CD2 1 ? ? +2239 ATOM C CD2 B PHE A 1 187 ? 28.206 -55.368 -51.347 0.60 47.49 ? 197 PHE A CD2 1 ? ? +2240 ATOM C CE1 A PHE A 1 187 ? 27.180 -57.821 -51.475 0.40 48.23 ? 197 PHE A CE1 1 ? ? +2241 ATOM C CE1 B PHE A 1 187 ? 27.184 -57.909 -51.457 0.60 48.11 ? 197 PHE A CE1 1 ? ? +2242 ATOM C CE2 A PHE A 1 187 ? 29.021 -56.351 -51.653 0.40 48.10 ? 197 PHE A CE2 1 ? ? +2243 ATOM C CE2 B PHE A 1 187 ? 29.021 -56.443 -51.674 0.60 47.98 ? 197 PHE A CE2 1 ? ? +2244 ATOM C CZ A PHE A 1 187 ? 28.505 -57.613 -51.725 0.40 48.39 ? 197 PHE A CZ 1 ? ? +2245 ATOM C CZ B PHE A 1 187 ? 28.506 -57.706 -51.722 0.60 48.27 ? 197 PHE A CZ 1 ? ? +2246 ATOM N N A HIS A 1 188 ? 23.239 -52.755 -49.792 0.40 46.04 ? 198 HIS A N 1 ? ? +2247 ATOM N N B HIS A 1 188 ? 23.254 -52.757 -49.788 0.60 45.92 ? 198 HIS A N 1 ? ? +2248 ATOM C CA A HIS A 1 188 ? 22.536 -51.773 -48.986 0.40 45.63 ? 198 HIS A CA 1 ? ? +2249 ATOM C CA B HIS A 1 188 ? 22.545 -51.779 -48.980 0.60 45.55 ? 198 HIS A CA 1 ? ? +2250 ATOM C C A HIS A 1 188 ? 21.465 -52.488 -48.170 0.40 45.67 ? 198 HIS A C 1 ? ? +2251 ATOM C C B HIS A 1 188 ? 21.464 -52.487 -48.171 0.60 45.62 ? 198 HIS A C 1 ? ? +2252 ATOM O O A HIS A 1 188 ? 21.271 -52.183 -47.000 0.40 45.50 ? 198 HIS A O 1 ? ? +2253 ATOM O O B HIS A 1 188 ? 21.264 -52.179 -47.004 0.60 45.46 ? 198 HIS A O 1 ? ? +2254 ATOM C CB A HIS A 1 188 ? 21.914 -50.657 -49.827 0.40 45.39 ? 198 HIS A CB 1 ? ? +2255 ATOM C CB B HIS A 1 188 ? 21.933 -50.656 -49.818 0.60 45.30 ? 198 HIS A CB 1 ? ? +2256 ATOM C CG A HIS A 1 188 ? 21.179 -49.642 -49.005 0.40 45.04 ? 198 HIS A CG 1 ? ? +2257 ATOM C CG B HIS A 1 188 ? 21.188 -49.645 -48.999 0.60 44.94 ? 198 HIS A CG 1 ? ? +2258 ATOM N ND1 A HIS A 1 188 ? 19.794 -49.618 -48.951 0.40 44.98 ? 198 HIS A ND1 1 ? ? +2259 ATOM N ND1 B HIS A 1 188 ? 19.801 -49.631 -48.946 0.60 44.90 ? 198 HIS A ND1 1 ? ? +2260 ATOM C CD2 A HIS A 1 188 ? 21.658 -48.678 -48.193 0.40 44.77 ? 198 HIS A CD2 1 ? ? +2261 ATOM C CD2 B HIS A 1 188 ? 21.658 -48.675 -48.190 0.60 44.67 ? 198 HIS A CD2 1 ? ? +2262 ATOM C CE1 A HIS A 1 188 ? 19.476 -48.630 -48.128 0.40 44.64 ? 198 HIS A CE1 1 ? ? +2263 ATOM C CE1 B HIS A 1 188 ? 19.474 -48.645 -48.127 0.60 44.55 ? 198 HIS A CE1 1 ? ? +2264 ATOM N NE2 A HIS A 1 188 ? 20.573 -48.037 -47.649 0.40 44.51 ? 198 HIS A NE2 1 ? ? +2265 ATOM N NE2 B HIS A 1 188 ? 20.567 -48.043 -47.647 0.60 44.41 ? 198 HIS A NE2 1 ? ? +2266 ATOM N N . GLN A 1 189 ? 20.789 -53.454 -48.800 1.00 45.94 ? 199 GLN A N 1 ? ? +2267 ATOM C CA . GLN A 1 189 ? 19.727 -54.207 -48.148 1.00 46.10 ? 199 GLN A CA 1 ? ? +2268 ATOM C CB . GLN A 1 189 ? 19.025 -55.109 -49.166 1.00 46.43 ? 199 GLN A CB 1 ? ? +2269 ATOM C CG . GLN A 1 189 ? 18.251 -54.292 -50.196 1.00 46.28 ? 199 GLN A CG 1 ? ? +2270 ATOM C CD . GLN A 1 189 ? 17.986 -55.072 -51.444 1.00 46.67 ? 199 GLN A CD 1 ? ? +2271 ATOM O OE1 . GLN A 1 189 ? 18.144 -56.303 -51.505 1.00 47.13 ? 199 GLN A OE1 1 ? ? +2272 ATOM N NE2 . GLN A 1 189 ? 17.575 -54.372 -52.477 1.00 46.60 ? 199 GLN A NE2 1 ? ? +2273 ATOM C C . GLN A 1 189 ? 20.259 -55.002 -46.958 1.00 46.26 ? 199 GLN A C 1 ? ? +2274 ATOM O O . GLN A 1 189 ? 19.637 -55.022 -45.899 1.00 46.13 ? 199 GLN A O 1 ? ? +2275 ATOM N N A LEU A 1 190 ? 21.425 -55.635 -47.136 0.50 46.51 ? 200 LEU A N 1 ? ? +2276 ATOM N N B LEU A 1 190 ? 21.425 -55.635 -47.136 0.50 46.51 ? 200 LEU A N 1 ? ? +2277 ATOM C CA A LEU A 1 190 ? 22.110 -56.307 -46.043 0.50 46.72 ? 200 LEU A CA 1 ? ? +2278 ATOM C CA B LEU A 1 190 ? 22.110 -56.307 -46.043 0.50 46.72 ? 200 LEU A CA 1 ? ? +2279 ATOM C C A LEU A 1 190 ? 22.503 -55.308 -44.957 0.50 46.35 ? 200 LEU A C 1 ? ? +2280 ATOM C C B LEU A 1 190 ? 22.503 -55.308 -44.957 0.50 46.34 ? 200 LEU A C 1 ? ? +2281 ATOM O O A LEU A 1 190 ? 22.469 -55.628 -43.772 0.50 46.53 ? 200 LEU A O 1 ? ? +2282 ATOM O O B LEU A 1 190 ? 22.469 -55.628 -43.772 0.50 46.53 ? 200 LEU A O 1 ? ? +2283 ATOM C CB A LEU A 1 190 ? 23.354 -57.059 -46.567 0.50 47.13 ? 200 LEU A CB 1 ? ? +2284 ATOM C CB B LEU A 1 190 ? 23.355 -57.056 -46.567 0.50 47.11 ? 200 LEU A CB 1 ? ? +2285 ATOM C CG A LEU A 1 190 ? 23.077 -58.349 -47.330 0.50 47.60 ? 200 LEU A CG 1 ? ? +2286 ATOM C CG B LEU A 1 190 ? 23.078 -58.350 -47.316 0.50 47.58 ? 200 LEU A CG 1 ? ? +2287 ATOM C CD1 A LEU A 1 190 ? 24.304 -58.840 -48.056 0.50 47.91 ? 200 LEU A CD1 1 ? ? +2288 ATOM C CD1 B LEU A 1 190 ? 24.301 -58.839 -48.050 0.50 47.90 ? 200 LEU A CD1 1 ? ? +2289 ATOM C CD2 A LEU A 1 190 ? 22.583 -59.430 -46.398 0.50 47.93 ? 200 LEU A CD2 1 ? ? +2290 ATOM C CD2 B LEU A 1 190 ? 22.602 -59.426 -46.367 0.50 47.92 ? 200 LEU A CD2 1 ? ? +2291 ATOM N N . GLY A 1 191 ? 22.867 -54.093 -45.373 1.00 45.96 ? 201 GLY A N 1 ? ? +2292 ATOM C CA . GLY A 1 191 ? 23.171 -53.019 -44.443 1.00 45.58 ? 201 GLY A CA 1 ? ? +2293 ATOM C C . GLY A 1 191 ? 21.978 -52.619 -43.575 1.00 45.31 ? 201 GLY A C 1 ? ? +2294 ATOM O O . GLY A 1 191 ? 22.116 -52.464 -42.363 1.00 45.20 ? 201 GLY A O 1 ? ? +2295 ATOM N N . VAL A 1 192 ? 20.802 -52.468 -44.205 1.00 45.18 ? 202 VAL A N 1 ? ? +2296 ATOM C CA . VAL A 1 192 ? 19.573 -52.192 -43.481 1.00 44.97 ? 202 VAL A CA 1 ? ? +2297 ATOM C CB . VAL A 1 192 ? 18.379 -51.987 -44.443 1.00 44.97 ? 202 VAL A CB 1 ? ? +2298 ATOM C CG1 . VAL A 1 192 ? 17.065 -51.881 -43.660 1.00 44.92 ? 202 VAL A CG1 1 ? ? +2299 ATOM C CG2 . VAL A 1 192 ? 18.583 -50.781 -45.342 1.00 44.67 ? 202 VAL A CG2 1 ? ? +2300 ATOM C C . VAL A 1 192 ? 19.270 -53.311 -42.490 1.00 45.21 ? 202 VAL A C 1 ? ? +2301 ATOM O O . VAL A 1 192 ? 18.912 -53.043 -41.346 1.00 45.07 ? 202 VAL A O 1 ? ? +2302 ATOM N N A ALA A 1 193 ? 19.416 -54.563 -42.941 0.40 45.57 ? 203 ALA A N 1 ? ? +2303 ATOM N N B ALA A 1 193 ? 19.414 -54.561 -42.946 0.60 45.62 ? 203 ALA A N 1 ? ? +2304 ATOM C CA A ALA A 1 193 ? 19.217 -55.714 -42.077 0.40 45.92 ? 203 ALA A CA 1 ? ? +2305 ATOM C CA B ALA A 1 193 ? 19.223 -55.716 -42.087 0.60 46.01 ? 203 ALA A CA 1 ? ? +2306 ATOM C C A ALA A 1 193 ? 20.167 -55.632 -40.890 0.40 45.96 ? 203 ALA A C 1 ? ? +2307 ATOM C C B ALA A 1 193 ? 20.173 -55.641 -40.900 0.60 46.04 ? 203 ALA A C 1 ? ? +2308 ATOM O O A ALA A 1 193 ? 19.773 -55.904 -39.758 0.40 46.03 ? 203 ALA A O 1 ? ? +2309 ATOM O O B ALA A 1 193 ? 19.777 -55.925 -39.772 0.60 46.13 ? 203 ALA A O 1 ? ? +2310 ATOM C CB A ALA A 1 193 ? 19.433 -57.006 -42.841 0.40 46.35 ? 203 ALA A CB 1 ? ? +2311 ATOM C CB B ALA A 1 193 ? 19.441 -57.004 -42.858 0.60 46.48 ? 203 ALA A CB 1 ? ? +2312 ATOM N N A GLY A 1 194 ? 21.413 -55.230 -41.177 0.40 45.94 ? 204 GLY A N 1 ? ? +2313 ATOM N N B GLY A 1 194 ? 21.422 -55.242 -41.184 0.60 46.01 ? 204 GLY A N 1 ? ? +2314 ATOM C CA A GLY A 1 194 ? 22.434 -55.042 -40.162 0.40 45.96 ? 204 GLY A CA 1 ? ? +2315 ATOM C CA B GLY A 1 194 ? 22.441 -55.051 -40.169 0.60 46.02 ? 204 GLY A CA 1 ? ? +2316 ATOM C C A GLY A 1 194 ? 22.050 -54.068 -39.052 0.40 45.68 ? 204 GLY A C 1 ? ? +2317 ATOM C C B GLY A 1 194 ? 22.056 -54.080 -39.059 0.60 45.71 ? 204 GLY A C 1 ? ? +2318 ATOM O O A GLY A 1 194 ? 22.198 -54.390 -37.874 0.40 45.83 ? 204 GLY A O 1 ? ? +2319 ATOM O O B GLY A 1 194 ? 22.184 -54.415 -37.884 0.60 45.87 ? 204 GLY A O 1 ? ? +2320 ATOM N N A VAL A 1 195 ? 21.568 -52.878 -39.427 0.40 45.33 ? 205 VAL A N 1 ? ? +2321 ATOM N N B VAL A 1 195 ? 21.590 -52.883 -39.433 0.60 45.34 ? 205 VAL A N 1 ? ? +2322 ATOM C CA A VAL A 1 195 ? 21.256 -51.860 -38.437 0.40 45.08 ? 205 VAL A CA 1 ? ? +2323 ATOM C CA B VAL A 1 195 ? 21.278 -51.863 -38.443 0.60 45.11 ? 205 VAL A CA 1 ? ? +2324 ATOM C C A VAL A 1 195 ? 19.849 -52.012 -37.856 0.40 45.12 ? 205 VAL A C 1 ? ? +2325 ATOM C C B VAL A 1 195 ? 19.873 -52.022 -37.856 0.60 45.15 ? 205 VAL A C 1 ? ? +2326 ATOM O O A VAL A 1 195 ? 19.655 -51.768 -36.668 0.40 45.08 ? 205 VAL A O 1 ? ? +2327 ATOM O O B VAL A 1 195 ? 19.693 -51.802 -36.661 0.60 45.13 ? 205 VAL A O 1 ? ? +2328 ATOM C CB A VAL A 1 195 ? 21.486 -50.431 -38.983 0.40 44.71 ? 205 VAL A CB 1 ? ? +2329 ATOM C CB B VAL A 1 195 ? 21.514 -50.432 -38.985 0.60 44.74 ? 205 VAL A CB 1 ? ? +2330 ATOM C CG1 A VAL A 1 195 ? 22.891 -50.290 -39.574 0.40 44.78 ? 205 VAL A CG1 1 ? ? +2331 ATOM C CG1 B VAL A 1 195 ? 22.922 -50.293 -39.568 0.60 44.79 ? 205 VAL A CG1 1 ? ? +2332 ATOM C CG2 A VAL A 1 195 ? 20.419 -50.033 -39.994 0.40 44.53 ? 205 VAL A CG2 1 ? ? +2333 ATOM C CG2 B VAL A 1 195 ? 20.454 -50.015 -40.000 0.60 44.55 ? 205 VAL A CG2 1 ? ? +2334 ATOM N N A PHE A 1 196 ? 18.869 -52.420 -38.673 0.40 45.24 ? 206 PHE A N 1 ? ? +2335 ATOM N N B PHE A 1 196 ? 18.883 -52.411 -38.671 0.60 45.28 ? 206 PHE A N 1 ? ? +2336 ATOM C CA A PHE A 1 196 ? 17.558 -52.772 -38.140 0.40 45.38 ? 206 PHE A CA 1 ? ? +2337 ATOM C CA B PHE A 1 196 ? 17.574 -52.762 -38.128 0.60 45.44 ? 206 PHE A CA 1 ? ? +2338 ATOM C C A PHE A 1 196 ? 17.702 -53.936 -37.165 0.40 45.80 ? 206 PHE A C 1 ? ? +2339 ATOM C C B PHE A 1 196 ? 17.701 -53.938 -37.165 0.60 45.86 ? 206 PHE A C 1 ? ? +2340 ATOM O O A PHE A 1 196 ? 17.127 -53.920 -36.079 0.40 45.82 ? 206 PHE A O 1 ? ? +2341 ATOM O O B PHE A 1 196 ? 17.158 -53.896 -36.064 0.60 45.87 ? 206 PHE A O 1 ? ? +2342 ATOM C CB A PHE A 1 196 ? 16.549 -53.160 -39.235 0.40 45.49 ? 206 PHE A CB 1 ? ? +2343 ATOM C CB B PHE A 1 196 ? 16.544 -53.109 -39.222 0.60 45.54 ? 206 PHE A CB 1 ? ? +2344 ATOM C CG A PHE A 1 196 ? 15.799 -52.012 -39.864 0.40 45.18 ? 206 PHE A CG 1 ? ? +2345 ATOM C CG B PHE A 1 196 ? 15.808 -51.946 -39.850 0.60 45.25 ? 206 PHE A CG 1 ? ? +2346 ATOM C CD1 A PHE A 1 196 ? 15.918 -50.732 -39.366 0.40 44.84 ? 206 PHE A CD1 1 ? ? +2347 ATOM C CD1 B PHE A 1 196 ? 15.918 -50.669 -39.332 0.60 44.93 ? 206 PHE A CD1 1 ? ? +2348 ATOM C CD2 A PHE A 1 196 ? 14.959 -52.221 -40.945 0.40 45.30 ? 206 PHE A CD2 1 ? ? +2349 ATOM C CD2 B PHE A 1 196 ? 14.978 -52.139 -40.942 0.60 45.41 ? 206 PHE A CD2 1 ? ? +2350 ATOM C CE1 A PHE A 1 196 ? 15.218 -49.680 -39.940 0.40 44.58 ? 206 PHE A CE1 1 ? ? +2351 ATOM C CE1 B PHE A 1 196 ? 15.224 -49.609 -39.900 0.60 44.68 ? 206 PHE A CE1 1 ? ? +2352 ATOM C CE2 A PHE A 1 196 ? 14.262 -51.168 -41.516 0.40 45.04 ? 206 PHE A CE2 1 ? ? +2353 ATOM C CE2 B PHE A 1 196 ? 14.287 -51.076 -41.509 0.60 45.14 ? 206 PHE A CE2 1 ? ? +2354 ATOM C CZ A PHE A 1 196 ? 14.394 -49.903 -41.010 0.40 44.69 ? 206 PHE A CZ 1 ? ? +2355 ATOM C CZ B PHE A 1 196 ? 14.414 -49.817 -40.984 0.60 44.80 ? 206 PHE A CZ 1 ? ? +2356 ATOM N N A GLY A 1 197 ? 18.488 -54.942 -37.573 0.40 46.16 ? 207 GLY A N 1 ? ? +2357 ATOM N N B GLY A 1 197 ? 18.438 -54.973 -37.591 0.60 46.23 ? 207 GLY A N 1 ? ? +2358 ATOM C CA A GLY A 1 197 ? 18.725 -56.122 -36.759 0.40 46.56 ? 207 GLY A CA 1 ? ? +2359 ATOM C CA B GLY A 1 197 ? 18.682 -56.146 -36.767 0.60 46.62 ? 207 GLY A CA 1 ? ? +2360 ATOM C C A GLY A 1 197 ? 19.538 -55.805 -35.508 0.40 46.56 ? 207 GLY A C 1 ? ? +2361 ATOM C C B GLY A 1 197 ? 19.515 -55.817 -35.533 0.60 46.60 ? 207 GLY A C 1 ? ? +2362 ATOM O O A GLY A 1 197 ? 19.294 -56.359 -34.440 0.40 46.78 ? 207 GLY A O 1 ? ? +2363 ATOM O O B GLY A 1 197 ? 19.279 -56.353 -34.455 0.60 46.82 ? 207 GLY A O 1 ? ? +2364 ATOM N N A GLY A 1 198 ? 20.519 -54.911 -35.656 0.40 46.31 ? 208 GLY A N 1 ? ? +2365 ATOM N N B GLY A 1 198 ? 20.501 -54.934 -35.706 0.60 46.36 ? 208 GLY A N 1 ? ? +2366 ATOM C CA A GLY A 1 198 ? 21.337 -54.500 -34.529 0.40 46.30 ? 208 GLY A CA 1 ? ? +2367 ATOM C CA B GLY A 1 198 ? 21.322 -54.494 -34.592 0.60 46.33 ? 208 GLY A CA 1 ? ? +2368 ATOM C C A GLY A 1 198 ? 20.487 -53.849 -33.443 0.40 46.09 ? 208 GLY A C 1 ? ? +2369 ATOM C C B GLY A 1 198 ? 20.480 -53.836 -33.502 0.60 46.13 ? 208 GLY A C 1 ? ? +2370 ATOM O O A GLY A 1 198 ? 20.649 -54.134 -32.256 0.40 46.23 ? 208 GLY A O 1 ? ? +2371 ATOM O O B GLY A 1 198 ? 20.648 -54.127 -32.320 0.60 46.24 ? 208 GLY A O 1 ? ? +2372 ATOM N N A ALA A 1 199 ? 19.578 -52.970 -33.878 0.40 45.77 ? 209 ALA A N 1 ? ? +2373 ATOM N N B ALA A 1 199 ? 19.577 -52.945 -33.928 0.60 45.81 ? 209 ALA A N 1 ? ? +2374 ATOM C CA A ALA A 1 199 ? 18.686 -52.266 -32.971 0.40 45.62 ? 209 ALA A CA 1 ? ? +2375 ATOM C CA B ALA A 1 199 ? 18.676 -52.256 -33.018 0.60 45.67 ? 209 ALA A CA 1 ? ? +2376 ATOM C C A ALA A 1 199 ? 17.725 -53.244 -32.302 0.40 45.93 ? 209 ALA A C 1 ? ? +2377 ATOM C C B ALA A 1 199 ? 17.702 -53.229 -32.357 0.60 45.99 ? 209 ALA A C 1 ? ? +2378 ATOM O O A ALA A 1 199 ? 17.475 -53.162 -31.102 0.40 45.96 ? 209 ALA A O 1 ? ? +2379 ATOM O O B ALA A 1 199 ? 17.429 -53.128 -31.163 0.60 46.02 ? 209 ALA A O 1 ? ? +2380 ATOM C CB A ALA A 1 199 ? 17.920 -51.194 -33.723 0.40 45.25 ? 209 ALA A CB 1 ? ? +2381 ATOM C CB B ALA A 1 199 ? 17.918 -51.175 -33.763 0.60 45.31 ? 209 ALA A CB 1 ? ? +2382 ATOM N N A LEU A 1 200 ? 17.213 -54.187 -33.095 0.40 46.20 ? 210 LEU A N 1 ? ? +2383 ATOM N N B LEU A 1 200 ? 17.204 -54.184 -33.145 0.60 46.31 ? 210 LEU A N 1 ? ? +2384 ATOM C CA A LEU A 1 200 ? 16.309 -55.207 -32.593 0.40 46.62 ? 210 LEU A CA 1 ? ? +2385 ATOM C CA B LEU A 1 200 ? 16.323 -55.224 -32.641 0.60 46.76 ? 210 LEU A CA 1 ? ? +2386 ATOM C C A LEU A 1 200 ? 16.976 -56.037 -31.498 0.40 46.99 ? 210 LEU A C 1 ? ? +2387 ATOM C C B LEU A 1 200 ? 17.006 -56.012 -31.526 0.60 47.17 ? 210 LEU A C 1 ? ? +2388 ATOM O O A LEU A 1 200 ? 16.430 -56.201 -30.407 0.40 47.15 ? 210 LEU A O 1 ? ? +2389 ATOM O O B LEU A 1 200 ? 16.487 -56.108 -30.415 0.60 47.32 ? 210 LEU A O 1 ? ? +2390 ATOM C CB A LEU A 1 200 ? 15.855 -56.114 -33.757 0.40 46.88 ? 210 LEU A CB 1 ? ? +2391 ATOM C CB B LEU A 1 200 ? 15.909 -56.168 -33.796 0.60 47.04 ? 210 LEU A CB 1 ? ? +2392 ATOM C CG A LEU A 1 200 ? 14.612 -56.975 -33.505 0.40 47.24 ? 210 LEU A CG 1 ? ? +2393 ATOM C CG B LEU A 1 200 ? 14.646 -57.018 -33.587 0.60 47.38 ? 210 LEU A CG 1 ? ? +2394 ATOM C CD1 A LEU A 1 200 ? 14.295 -57.819 -34.708 0.40 47.49 ? 210 LEU A CD1 1 ? ? +2395 ATOM C CD1 B LEU A 1 200 ? 14.415 -57.908 -34.775 0.60 47.66 ? 210 LEU A CD1 1 ? ? +2396 ATOM C CD2 A LEU A 1 200 ? 14.778 -57.868 -32.312 0.40 47.66 ? 210 LEU A CD2 1 ? ? +2397 ATOM C CD2 B LEU A 1 200 ? 14.704 -57.869 -32.354 0.60 47.79 ? 210 LEU A CD2 1 ? ? +2398 ATOM N N A PHE A 1 201 ? 18.167 -56.564 -31.801 0.40 47.17 ? 211 PHE A N 1 ? ? +2399 ATOM N N B PHE A 1 201 ? 18.181 -56.572 -31.831 0.60 47.41 ? 211 PHE A N 1 ? ? +2400 ATOM C CA A PHE A 1 201 ? 18.876 -57.422 -30.867 0.40 47.56 ? 211 PHE A CA 1 ? ? +2401 ATOM C CA B PHE A 1 201 ? 18.894 -57.419 -30.888 0.60 47.82 ? 211 PHE A CA 1 ? ? +2402 ATOM C C A PHE A 1 201 ? 19.369 -56.631 -29.659 0.40 47.39 ? 211 PHE A C 1 ? ? +2403 ATOM C C B PHE A 1 201 ? 19.394 -56.628 -29.682 0.60 47.62 ? 211 PHE A C 1 ? ? +2404 ATOM O O A PHE A 1 201 ? 19.477 -57.172 -28.561 0.40 47.65 ? 211 PHE A O 1 ? ? +2405 ATOM O O B PHE A 1 201 ? 19.490 -57.168 -28.583 0.60 47.85 ? 211 PHE A O 1 ? ? +2406 ATOM C CB A PHE A 1 201 ? 20.020 -58.145 -31.579 0.40 47.82 ? 211 PHE A CB 1 ? ? +2407 ATOM C CB B PHE A 1 201 ? 20.032 -58.154 -31.598 0.60 48.15 ? 211 PHE A CB 1 ? ? +2408 ATOM C CG A PHE A 1 201 ? 19.537 -59.036 -32.700 0.40 48.04 ? 211 PHE A CG 1 ? ? +2409 ATOM C CG B PHE A 1 201 ? 19.558 -59.036 -32.733 0.60 48.39 ? 211 PHE A CG 1 ? ? +2410 ATOM C CD1 A PHE A 1 201 ? 18.429 -59.850 -32.532 0.40 48.32 ? 211 PHE A CD1 1 ? ? +2411 ATOM C CD1 B PHE A 1 201 ? 18.431 -59.837 -32.593 0.60 48.70 ? 211 PHE A CD1 1 ? ? +2412 ATOM C CD2 A PHE A 1 201 ? 20.191 -59.061 -33.918 0.40 47.99 ? 211 PHE A CD2 1 ? ? +2413 ATOM C CD2 B PHE A 1 201 ? 20.237 -59.066 -33.938 0.60 48.36 ? 211 PHE A CD2 1 ? ? +2414 ATOM C CE1 A PHE A 1 201 ? 17.987 -60.666 -33.563 0.40 48.52 ? 211 PHE A CE1 1 ? ? +2415 ATOM C CE1 B PHE A 1 201 ? 18.003 -60.644 -33.637 0.60 48.88 ? 211 PHE A CE1 1 ? ? +2416 ATOM C CE2 A PHE A 1 201 ? 19.741 -59.880 -34.947 0.40 48.20 ? 211 PHE A CE2 1 ? ? +2417 ATOM C CE2 B PHE A 1 201 ? 19.797 -59.875 -34.981 0.60 48.56 ? 211 PHE A CE2 1 ? ? +2418 ATOM C CZ A PHE A 1 201 ? 18.645 -60.676 -34.763 0.40 48.45 ? 211 PHE A CZ 1 ? ? +2419 ATOM C CZ B PHE A 1 201 ? 18.687 -60.659 -34.823 0.60 48.80 ? 211 PHE A CZ 1 ? ? +2420 ATOM N N A CYS A 1 202 ? 19.634 -55.339 -29.875 0.40 46.97 ? 212 CYS A N 1 ? ? +2421 ATOM N N B CYS A 1 202 ? 19.675 -55.341 -29.897 0.60 47.22 ? 212 CYS A N 1 ? ? +2422 ATOM C CA A CYS A 1 202 ? 19.980 -54.425 -28.800 0.40 46.86 ? 212 CYS A CA 1 ? ? +2423 ATOM C CA B CYS A 1 202 ? 20.012 -54.425 -28.820 0.60 47.12 ? 212 CYS A CA 1 ? ? +2424 ATOM C C A CYS A 1 202 ? 18.851 -54.353 -27.771 0.40 46.92 ? 212 CYS A C 1 ? ? +2425 ATOM C C B CYS A 1 202 ? 18.884 -54.367 -27.791 0.60 47.23 ? 212 CYS A C 1 ? ? +2426 ATOM O O A CYS A 1 202 ? 19.068 -54.626 -26.592 0.40 47.17 ? 212 CYS A O 1 ? ? +2427 ATOM O O B CYS A 1 202 ? 19.102 -54.658 -26.617 0.60 47.46 ? 212 CYS A O 1 ? ? +2428 ATOM C CB A CYS A 1 202 ? 20.316 -53.047 -29.363 0.40 46.41 ? 212 CYS A CB 1 ? ? +2429 ATOM C CB B CYS A 1 202 ? 20.337 -53.044 -29.380 0.60 46.65 ? 212 CYS A CB 1 ? ? +2430 ATOM S SG A CYS A 1 202 ? 20.880 -51.854 -28.121 0.40 46.31 ? 212 CYS A SG 1 ? ? +2431 ATOM S SG B CYS A 1 202 ? 20.874 -51.842 -28.137 0.60 46.60 ? 212 CYS A SG 1 ? ? +2432 ATOM N N A ALA A 1 203 ? 17.641 -54.001 -28.234 0.40 46.72 ? 213 ALA A N 1 ? ? +2433 ATOM N N B ALA A 1 203 ? 17.672 -54.014 -28.250 0.60 47.05 ? 213 ALA A N 1 ? ? +2434 ATOM C CA A ALA A 1 203 ? 16.480 -53.918 -27.361 0.40 46.77 ? 213 ALA A CA 1 ? ? +2435 ATOM C CA B ALA A 1 203 ? 16.505 -53.961 -27.380 0.60 47.12 ? 213 ALA A CA 1 ? ? +2436 ATOM C C A ALA A 1 203 ? 16.168 -55.283 -26.760 0.40 47.29 ? 213 ALA A C 1 ? ? +2437 ATOM C C B ALA A 1 203 ? 16.206 -55.327 -26.776 0.60 47.68 ? 213 ALA A C 1 ? ? +2438 ATOM O O A ALA A 1 203 ? 15.842 -55.393 -25.582 0.40 47.49 ? 213 ALA A O 1 ? ? +2439 ATOM O O B ALA A 1 203 ? 15.833 -55.429 -25.614 0.60 47.87 ? 213 ALA A O 1 ? ? +2440 ATOM C CB A ALA A 1 203 ? 15.273 -53.381 -28.115 0.40 46.51 ? 213 ALA A CB 1 ? ? +2441 ATOM C CB B ALA A 1 203 ? 15.291 -53.450 -28.142 0.60 46.86 ? 213 ALA A CB 1 ? ? +2442 ATOM N N A MET A 1 204 ? 16.272 -56.322 -27.589 0.40 47.58 ? 214 MET A N 1 ? ? +2443 ATOM N N B MET A 1 204 ? 16.396 -56.372 -27.584 0.60 48.04 ? 214 MET A N 1 ? ? +2444 ATOM C CA A MET A 1 204 ? 16.170 -57.687 -27.106 0.40 48.18 ? 214 MET A CA 1 ? ? +2445 ATOM C CA B MET A 1 204 ? 16.138 -57.741 -27.172 0.60 48.69 ? 214 MET A CA 1 ? ? +2446 ATOM C C A MET A 1 204 ? 17.064 -57.915 -25.889 0.40 48.42 ? 214 MET A C 1 ? ? +2447 ATOM C C B MET A 1 204 ? 17.036 -58.126 -25.993 0.60 49.01 ? 214 MET A C 1 ? ? +2448 ATOM O O A MET A 1 204 ? 16.579 -57.975 -24.760 0.40 48.56 ? 214 MET A O 1 ? ? +2449 ATOM O O B MET A 1 204 ? 16.542 -58.520 -24.938 0.60 49.27 ? 214 MET A O 1 ? ? +2450 ATOM C CB A MET A 1 204 ? 16.537 -58.650 -28.231 0.40 48.46 ? 214 MET A CB 1 ? ? +2451 ATOM C CB B MET A 1 204 ? 16.371 -58.664 -28.379 0.60 49.02 ? 214 MET A CB 1 ? ? +2452 ATOM C CG A MET A 1 204 ? 15.588 -59.773 -28.352 0.40 48.96 ? 214 MET A CG 1 ? ? +2453 ATOM C CG B MET A 1 204 ? 15.721 -60.000 -28.257 0.60 49.71 ? 214 MET A CG 1 ? ? +2454 ATOM S SD A MET A 1 204 ? 13.839 -59.245 -28.285 0.40 48.88 ? 214 MET A SD 1 ? ? +2455 ATOM S SD B MET A 1 204 ? 13.939 -59.944 -28.710 0.60 49.90 ? 214 MET A SD 1 ? ? +2456 ATOM C CE A MET A 1 204 ? 13.213 -60.627 -27.330 0.40 49.59 ? 214 MET A CE 1 ? ? +2457 ATOM C CE B MET A 1 204 ? 13.324 -61.058 -27.460 0.60 50.58 ? 214 MET A CE 1 ? ? +2458 ATOM N N A HIS A 1 205 ? 18.379 -58.025 -26.133 0.40 48.46 ? 215 HIS A N 1 ? ? +2459 ATOM N N B HIS A 1 205 ? 18.360 -57.985 -26.174 0.60 49.00 ? 215 HIS A N 1 ? ? +2460 ATOM C CA A HIS A 1 205 ? 19.328 -58.346 -25.083 0.40 48.77 ? 215 HIS A CA 1 ? ? +2461 ATOM C CA B HIS A 1 205 ? 19.320 -58.334 -25.140 0.60 49.34 ? 215 HIS A CA 1 ? ? +2462 ATOM C C A HIS A 1 205 ? 19.089 -57.492 -23.844 0.40 48.65 ? 215 HIS A C 1 ? ? +2463 ATOM C C B HIS A 1 205 ? 19.108 -57.490 -23.888 0.60 49.24 ? 215 HIS A C 1 ? ? +2464 ATOM O O A HIS A 1 205 ? 19.124 -57.990 -22.721 0.40 48.99 ? 215 HIS A O 1 ? ? +2465 ATOM O O B HIS A 1 205 ? 19.146 -58.002 -22.774 0.60 49.57 ? 215 HIS A O 1 ? ? +2466 ATOM C CB A HIS A 1 205 ? 20.779 -58.163 -25.554 0.40 48.75 ? 215 HIS A CB 1 ? ? +2467 ATOM C CB B HIS A 1 205 ? 20.772 -58.170 -25.636 0.60 49.31 ? 215 HIS A CB 1 ? ? +2468 ATOM C CG A HIS A 1 205 ? 21.778 -58.519 -24.496 0.40 49.11 ? 215 HIS A CG 1 ? ? +2469 ATOM C CG B HIS A 1 205 ? 21.806 -58.537 -24.614 0.60 49.62 ? 215 HIS A CG 1 ? ? +2470 ATOM N ND1 A HIS A 1 205 ? 21.842 -59.790 -23.976 0.40 49.69 ? 215 HIS A ND1 1 ? ? +2471 ATOM N ND1 B HIS A 1 205 ? 21.890 -59.810 -24.105 0.60 50.24 ? 215 HIS A ND1 1 ? ? +2472 ATOM C CD2 A HIS A 1 205 ? 22.683 -57.747 -23.866 0.40 49.01 ? 215 HIS A CD2 1 ? ? +2473 ATOM C CD2 B HIS A 1 205 ? 22.749 -57.778 -24.031 0.60 49.52 ? 215 HIS A CD2 1 ? ? +2474 ATOM C CE1 A HIS A 1 205 ? 22.792 -59.766 -23.056 0.40 49.93 ? 215 HIS A CE1 1 ? ? +2475 ATOM C CE1 B HIS A 1 205 ? 22.880 -59.798 -23.227 0.60 50.44 ? 215 HIS A CE1 1 ? ? +2476 ATOM N NE2 A HIS A 1 205 ? 23.327 -58.550 -22.956 0.40 49.58 ? 215 HIS A NE2 1 ? ? +2477 ATOM N NE2 B HIS A 1 205 ? 23.431 -58.588 -23.149 0.60 50.07 ? 215 HIS A NE2 1 ? ? +2478 ATOM N N A GLY A 1 206 ? 18.856 -56.197 -24.068 0.40 48.20 ? 216 GLY A N 1 ? ? +2479 ATOM N N B GLY A 1 206 ? 18.887 -56.191 -24.094 0.60 48.85 ? 216 GLY A N 1 ? ? +2480 ATOM C CA A GLY A 1 206 ? 18.561 -55.269 -22.990 0.40 48.12 ? 216 GLY A CA 1 ? ? +2481 ATOM C CA B GLY A 1 206 ? 18.610 -55.276 -23.001 0.60 48.84 ? 216 GLY A CA 1 ? ? +2482 ATOM C C A GLY A 1 206 ? 17.334 -55.657 -22.168 0.40 48.42 ? 216 GLY A C 1 ? ? +2483 ATOM C C B GLY A 1 206 ? 17.365 -55.640 -22.196 0.60 49.21 ? 216 GLY A C 1 ? ? +2484 ATOM O O A GLY A 1 206 ? 17.360 -55.585 -20.941 0.40 48.61 ? 216 GLY A O 1 ? ? +2485 ATOM O O B GLY A 1 206 ? 17.384 -55.579 -20.969 0.60 49.42 ? 216 GLY A O 1 ? ? +2486 ATOM N N A SER A 1 207 ? 16.261 -56.064 -22.855 0.40 48.54 ? 217 SER A N 1 ? ? +2487 ATOM N N B SER A 1 207 ? 16.293 -56.024 -22.897 0.60 49.41 ? 217 SER A N 1 ? ? +2488 ATOM C CA A SER A 1 207 ? 15.004 -56.358 -22.185 0.40 48.89 ? 217 SER A CA 1 ? ? +2489 ATOM C CA B SER A 1 207 ? 15.025 -56.306 -22.244 0.60 49.86 ? 217 SER A CA 1 ? ? +2490 ATOM C C A SER A 1 207 ? 15.103 -57.682 -21.432 0.40 49.67 ? 217 SER A C 1 ? ? +2491 ATOM C C B SER A 1 207 ? 15.079 -57.632 -21.489 0.60 50.80 ? 217 SER A C 1 ? ? +2492 ATOM O O A SER A 1 207 ? 14.586 -57.811 -20.325 0.40 49.96 ? 217 SER A O 1 ? ? +2493 ATOM O O B SER A 1 207 ? 14.491 -57.757 -20.419 0.60 51.16 ? 217 SER A O 1 ? ? +2494 ATOM C CB A SER A 1 207 ? 13.826 -56.349 -23.170 0.40 48.70 ? 217 SER A CB 1 ? ? +2495 ATOM C CB B SER A 1 207 ? 13.860 -56.275 -23.244 0.60 49.59 ? 217 SER A CB 1 ? ? +2496 ATOM O OG A SER A 1 207 ? 13.921 -57.331 -24.191 0.40 48.83 ? 217 SER A OG 1 ? ? +2497 ATOM O OG B SER A 1 207 ? 13.907 -57.312 -24.212 0.60 49.70 ? 217 SER A OG 1 ? ? +2498 ATOM N N A LEU A 1 208 ? 15.802 -58.654 -22.024 0.40 50.10 ? 218 LEU A N 1 ? ? +2499 ATOM N N B LEU A 1 208 ? 15.811 -58.610 -22.034 0.60 51.41 ? 218 LEU A N 1 ? ? +2500 ATOM C CA A LEU A 1 208 ? 15.909 -59.972 -21.420 0.40 50.89 ? 218 LEU A CA 1 ? ? +2501 ATOM C CA B LEU A 1 208 ? 15.880 -59.927 -21.419 0.60 52.36 ? 218 LEU A CA 1 ? ? +2502 ATOM C C A LEU A 1 208 ? 16.745 -59.926 -20.143 0.40 51.31 ? 218 LEU A C 1 ? ? +2503 ATOM C C B LEU A 1 208 ? 16.725 -59.912 -20.149 0.60 52.77 ? 218 LEU A C 1 ? ? +2504 ATOM O O A LEU A 1 208 ? 16.338 -60.462 -19.115 0.40 51.74 ? 218 LEU A O 1 ? ? +2505 ATOM O O B LEU A 1 208 ? 16.319 -60.467 -19.133 0.60 53.24 ? 218 LEU A O 1 ? ? +2506 ATOM C CB A LEU A 1 208 ? 16.488 -60.965 -22.434 0.40 51.09 ? 218 LEU A CB 1 ? ? +2507 ATOM C CB B LEU A 1 208 ? 16.415 -60.957 -22.424 0.60 52.74 ? 218 LEU A CB 1 ? ? +2508 ATOM C CG A LEU A 1 208 ? 15.504 -61.357 -23.530 0.40 51.04 ? 218 LEU A CG 1 ? ? +2509 ATOM C CG B LEU A 1 208 ? 15.412 -61.327 -23.531 0.60 52.89 ? 218 LEU A CG 1 ? ? +2510 ATOM C CD1 A LEU A 1 208 ? 16.101 -62.364 -24.475 0.40 51.28 ? 218 LEU A CD1 1 ? ? +2511 ATOM C CD1 B LEU A 1 208 ? 16.005 -62.282 -24.510 0.60 53.25 ? 218 LEU A CD1 1 ? ? +2512 ATOM C CD2 A LEU A 1 208 ? 14.206 -61.891 -22.927 0.40 51.38 ? 218 LEU A CD2 1 ? ? +2513 ATOM C CD2 B LEU A 1 208 ? 14.116 -61.918 -22.955 0.60 53.22 ? 218 LEU A CD2 1 ? ? +2514 ATOM N N A VAL A 1 209 ? 17.905 -59.267 -20.206 0.40 51.29 ? 219 VAL A N 1 ? ? +2515 ATOM N N B VAL A 1 209 ? 17.895 -59.267 -20.208 0.60 52.75 ? 219 VAL A N 1 ? ? +2516 ATOM C CA A VAL A 1 209 ? 18.746 -59.117 -19.030 0.40 51.70 ? 219 VAL A CA 1 ? ? +2517 ATOM C CA B VAL A 1 209 ? 18.740 -59.119 -19.033 0.60 53.16 ? 219 VAL A CA 1 ? ? +2518 ATOM C C A VAL A 1 209 ? 17.993 -58.325 -17.964 0.40 51.85 ? 219 VAL A C 1 ? ? +2519 ATOM C C B VAL A 1 209 ? 18.013 -58.316 -17.957 0.60 53.31 ? 219 VAL A C 1 ? ? +2520 ATOM O O A VAL A 1 209 ? 17.951 -58.713 -16.799 0.40 52.31 ? 219 VAL A O 1 ? ? +2521 ATOM O O B VAL A 1 209 ? 18.014 -58.690 -16.787 0.60 53.83 ? 219 VAL A O 1 ? ? +2522 ATOM C CB A VAL A 1 209 ? 20.108 -58.456 -19.353 0.40 51.40 ? 219 VAL A CB 1 ? ? +2523 ATOM C CB B VAL A 1 209 ? 20.113 -58.479 -19.371 0.60 52.84 ? 219 VAL A CB 1 ? ? +2524 ATOM C CG1 A VAL A 1 209 ? 20.834 -58.055 -18.076 0.40 51.51 ? 219 VAL A CG1 1 ? ? +2525 ATOM C CG1 B VAL A 1 209 ? 20.878 -58.115 -18.104 0.60 52.91 ? 219 VAL A CG1 1 ? ? +2526 ATOM C CG2 A VAL A 1 209 ? 20.973 -59.373 -20.214 0.40 51.63 ? 219 VAL A CG2 1 ? ? +2527 ATOM C CG2 B VAL A 1 209 ? 20.937 -59.404 -20.258 0.60 53.07 ? 219 VAL A CG2 1 ? ? +2528 ATOM N N A THR A 1 210 ? 17.394 -57.207 -18.372 0.40 51.63 ? 220 THR A N 1 ? ? +2529 ATOM N N B THR A 1 210 ? 17.396 -57.205 -18.363 0.60 53.13 ? 220 THR A N 1 ? ? +2530 ATOM C CA A THR A 1 210 ? 16.646 -56.384 -17.440 0.40 51.79 ? 220 THR A CA 1 ? ? +2531 ATOM C CA B THR A 1 210 ? 16.645 -56.378 -17.433 0.60 53.29 ? 220 THR A CA 1 ? ? +2532 ATOM C C A THR A 1 210 ? 15.523 -57.207 -16.810 0.40 52.50 ? 220 THR A C 1 ? ? +2533 ATOM C C B THR A 1 210 ? 15.473 -57.141 -16.817 0.60 53.97 ? 220 THR A C 1 ? ? +2534 ATOM O O A THR A 1 210 ? 15.274 -57.101 -15.613 0.40 52.79 ? 220 THR A O 1 ? ? +2535 ATOM O O B THR A 1 210 ? 15.152 -56.938 -15.650 0.60 54.32 ? 220 THR A O 1 ? ? +2536 ATOM C CB A THR A 1 210 ? 16.157 -55.119 -18.144 0.40 51.17 ? 220 THR A CB 1 ? ? +2537 ATOM C CB B THR A 1 210 ? 16.196 -55.092 -18.128 0.60 52.62 ? 220 THR A CB 1 ? ? +2538 ATOM O OG1 A THR A 1 210 ? 17.304 -54.385 -18.599 0.40 50.78 ? 220 THR A OG1 1 ? ? +2539 ATOM O OG1 B THR A 1 210 ? 17.365 -54.376 -18.559 0.60 52.15 ? 220 THR A OG1 1 ? ? +2540 ATOM C CG2 A THR A 1 210 ? 15.295 -54.246 -17.240 0.40 51.01 ? 220 THR A CG2 1 ? ? +2541 ATOM C CG2 B THR A 1 210 ? 15.340 -54.209 -17.223 0.60 52.43 ? 220 THR A CG2 1 ? ? +2542 ATOM N N A SER A 1 211 ? 14.878 -58.056 -17.615 0.40 52.96 ? 221 SER A N 1 ? ? +2543 ATOM N N B SER A 1 211 ? 14.857 -58.036 -17.596 0.60 54.46 ? 221 SER A N 1 ? ? +2544 ATOM C CA A SER A 1 211 ? 13.734 -58.829 -17.152 0.40 53.68 ? 221 SER A CA 1 ? ? +2545 ATOM C CA B SER A 1 211 ? 13.694 -58.784 -17.134 0.60 55.20 ? 221 SER A CA 1 ? ? +2546 ATOM C C A SER A 1 211 ? 14.114 -59.841 -16.079 0.40 54.62 ? 221 SER A C 1 ? ? +2547 ATOM C C B SER A 1 211 ? 14.035 -59.802 -16.054 0.60 56.15 ? 221 SER A C 1 ? ? +2548 ATOM O O A SER A 1 211 ? 13.261 -60.273 -15.303 0.40 54.95 ? 221 SER A O 1 ? ? +2549 ATOM O O B SER A 1 211 ? 13.162 -60.197 -15.281 0.60 56.38 ? 221 SER A O 1 ? ? +2550 ATOM C CB A SER A 1 211 ? 13.079 -59.571 -18.306 0.40 53.71 ? 221 SER A CB 1 ? ? +2551 ATOM C CB B SER A 1 211 ? 13.012 -59.512 -18.284 0.60 55.16 ? 221 SER A CB 1 ? ? +2552 ATOM O OG A SER A 1 211 ? 12.646 -58.653 -19.294 0.40 53.26 ? 221 SER A OG 1 ? ? +2553 ATOM O OG B SER A 1 211 ? 12.251 -58.598 -19.052 0.60 54.89 ? 221 SER A OG 1 ? ? +2554 ATOM N N A SER A 1 212 ? 15.399 -60.214 -16.056 0.40 55.07 ? 222 SER A N 1 ? ? +2555 ATOM N N B SER A 1 212 ? 15.309 -60.222 -16.020 0.60 56.69 ? 222 SER A N 1 ? ? +2556 ATOM C CA A SER A 1 212 ? 15.856 -61.287 -15.189 0.40 56.04 ? 222 SER A CA 1 ? ? +2557 ATOM C CA B SER A 1 212 ? 15.729 -61.284 -15.122 0.60 57.72 ? 222 SER A CA 1 ? ? +2558 ATOM C C A SER A 1 212 ? 16.864 -60.828 -14.139 0.40 56.39 ? 222 SER A C 1 ? ? +2559 ATOM C C B SER A 1 212 ? 16.775 -60.841 -14.101 0.60 58.00 ? 222 SER A C 1 ? ? +2560 ATOM O O A SER A 1 212 ? 17.667 -61.623 -13.659 0.40 56.74 ? 222 SER A O 1 ? ? +2561 ATOM O O B SER A 1 212 ? 17.545 -61.661 -13.607 0.60 58.30 ? 222 SER A O 1 ? ? +2562 ATOM C CB A SER A 1 212 ? 16.447 -62.419 -16.020 0.40 56.39 ? 222 SER A CB 1 ? ? +2563 ATOM C CB B SER A 1 212 ? 16.232 -62.473 -15.930 0.60 58.15 ? 222 SER A CB 1 ? ? +2564 ATOM O OG A SER A 1 212 ? 17.513 -61.949 -16.825 0.40 56.11 ? 222 SER A OG 1 ? ? +2565 ATOM O OG B SER A 1 212 ? 17.256 -62.083 -16.825 0.60 58.00 ? 222 SER A OG 1 ? ? +2566 ATOM N N A LEU A 1 213 ? 16.797 -59.545 -13.773 0.40 56.36 ? 223 LEU A N 1 ? ? +2567 ATOM N N B LEU A 1 213 ? 16.768 -59.546 -13.768 0.60 57.94 ? 223 LEU A N 1 ? ? +2568 ATOM C CA A LEU A 1 213 ? 17.619 -59.022 -12.695 0.40 56.82 ? 223 LEU A CA 1 ? ? +2569 ATOM C CA B LEU A 1 213 ? 17.594 -59.034 -12.690 0.60 58.39 ? 223 LEU A CA 1 ? ? +2570 ATOM C C A LEU A 1 213 ? 17.192 -59.672 -11.385 0.40 57.96 ? 223 LEU A C 1 ? ? +2571 ATOM C C B LEU A 1 213 ? 17.146 -59.665 -11.379 0.60 59.67 ? 223 LEU A C 1 ? ? +2572 ATOM O O A LEU A 1 213 ? 16.011 -59.710 -11.067 0.40 58.11 ? 223 LEU A O 1 ? ? +2573 ATOM O O B LEU A 1 213 ? 15.960 -59.693 -11.080 0.60 59.94 ? 223 LEU A O 1 ? ? +2574 ATOM C CB A LEU A 1 213 ? 17.484 -57.502 -12.570 0.40 56.18 ? 223 LEU A CB 1 ? ? +2575 ATOM C CB B LEU A 1 213 ? 17.483 -57.511 -12.566 0.60 57.66 ? 223 LEU A CB 1 ? ? +2576 ATOM C CG A LEU A 1 213 ? 17.975 -56.683 -13.747 0.40 55.52 ? 223 LEU A CG 1 ? ? +2577 ATOM C CG B LEU A 1 213 ? 17.963 -56.700 -13.749 0.60 56.93 ? 223 LEU A CG 1 ? ? +2578 ATOM C CD1 A LEU A 1 213 ? 17.947 -55.219 -13.420 0.40 54.99 ? 223 LEU A CD1 1 ? ? +2579 ATOM C CD1 B LEU A 1 213 ? 17.903 -55.236 -13.442 0.60 56.32 ? 223 LEU A CD1 1 ? ? +2580 ATOM C CD2 A LEU A 1 213 ? 19.384 -57.099 -14.160 0.40 55.73 ? 223 LEU A CD2 1 ? ? +2581 ATOM C CD2 B LEU A 1 213 ? 19.390 -57.096 -14.147 0.60 57.22 ? 223 LEU A CD2 1 ? ? +2582 ATOM N N A ILE A 1 214 ? 18.168 -60.172 -10.627 0.40 59.19 ? 224 ILE A N 1 ? ? +2583 ATOM N N B ILE A 1 214 ? 18.109 -60.167 -10.606 0.60 61.17 ? 224 ILE A N 1 ? ? +2584 ATOM C CA A ILE A 1 214 ? 17.896 -60.769 -9.332 0.40 60.44 ? 224 ILE A CA 1 ? ? +2585 ATOM C CA B ILE A 1 214 ? 17.829 -60.743 -9.304 0.60 62.59 ? 224 ILE A CA 1 ? ? +2586 ATOM C C A ILE A 1 214 ? 17.579 -59.692 -8.297 0.40 60.95 ? 224 ILE A C 1 ? ? +2587 ATOM C C B ILE A 1 214 ? 17.457 -59.629 -8.327 0.60 63.16 ? 224 ILE A C 1 ? ? +2588 ATOM O O A ILE A 1 214 ? 18.314 -58.719 -8.158 0.40 60.71 ? 224 ILE A O 1 ? ? +2589 ATOM O O B ILE A 1 214 ? 18.062 -58.560 -8.341 0.60 62.85 ? 224 ILE A O 1 ? ? +2590 ATOM C CB A ILE A 1 214 ? 19.090 -61.642 -8.915 0.40 61.01 ? 224 ILE A CB 1 ? ? +2591 ATOM C CB B ILE A 1 214 ? 19.046 -61.575 -8.849 0.60 63.21 ? 224 ILE A CB 1 ? ? +2592 ATOM C CG1 A ILE A 1 214 ? 19.253 -62.834 -9.871 0.40 61.25 ? 224 ILE A CG1 1 ? ? +2593 ATOM C CG1 B ILE A 1 214 ? 19.280 -62.763 -9.804 0.60 63.45 ? 224 ILE A CG1 1 ? ? +2594 ATOM C CG2 A ILE A 1 214 ? 18.943 -62.097 -7.475 0.40 61.70 ? 224 ILE A CG2 1 ? ? +2595 ATOM C CG2 B ILE A 1 214 ? 18.893 -62.051 -7.414 0.60 64.00 ? 224 ILE A CG2 1 ? ? +2596 ATOM C CD1 A ILE A 1 214 ? 20.651 -63.421 -9.889 0.40 61.62 ? 224 ILE A CD1 1 ? ? +2597 ATOM C CD1 B ILE A 1 214 ? 20.722 -63.248 -9.850 0.60 63.81 ? 224 ILE A CD1 1 ? ? +2598 ATOM N N A ARG A 1 215 ? 16.471 -59.880 -7.574 0.40 61.96 ? 225 ARG A N 1 ? ? +2599 ATOM N N B ARG A 1 215 ? 16.440 -59.885 -7.496 0.60 64.36 ? 225 ARG A N 1 ? ? +2600 ATOM C CA A ARG A 1 215 ? 16.022 -58.909 -6.591 0.40 62.54 ? 225 ARG A CA 1 ? ? +2601 ATOM C CA B ARG A 1 215 ? 15.983 -58.913 -6.517 0.60 65.14 ? 225 ARG A CA 1 ? ? +2602 ATOM C C A ARG A 1 215 ? 17.076 -58.664 -5.515 0.40 63.20 ? 225 ARG A C 1 ? ? +2603 ATOM C C B ARG A 1 215 ? 17.045 -58.668 -5.447 0.60 65.38 ? 225 ARG A C 1 ? ? +2604 ATOM O O A ARG A 1 215 ? 17.376 -59.549 -4.718 0.40 63.78 ? 225 ARG A O 1 ? ? +2605 ATOM O O B ARG A 1 215 ? 17.324 -59.544 -4.634 0.60 65.83 ? 225 ARG A O 1 ? ? +2606 ATOM C CB A ARG A 1 215 ? 14.717 -59.374 -5.944 0.40 63.27 ? 225 ARG A CB 1 ? ? +2607 ATOM C CB B ARG A 1 215 ? 14.670 -59.370 -5.864 0.60 66.39 ? 225 ARG A CB 1 ? ? +2608 ATOM C CG A ARG A 1 215 ? 14.156 -58.384 -4.935 0.40 63.50 ? 225 ARG A CG 1 ? ? +2609 ATOM C CG B ARG A 1 215 ? 14.130 -58.382 -4.831 0.60 67.19 ? 225 ARG A CG 1 ? ? +2610 ATOM C CD A ARG A 1 215 ? 12.711 -58.690 -4.617 0.40 64.13 ? 225 ARG A CD 1 ? ? +2611 ATOM C CD B ARG A 1 215 ? 12.663 -58.610 -4.521 0.60 68.41 ? 225 ARG A CD 1 ? ? +2612 ATOM N NE A ARG A 1 215 ? 12.547 -60.061 -4.152 0.40 65.30 ? 225 ARG A NE 1 ? ? +2613 ATOM N NE B ARG A 1 215 ? 12.411 -59.975 -4.072 0.60 70.26 ? 225 ARG A NE 1 ? ? +2614 ATOM C CZ A ARG A 1 215 ? 11.859 -60.993 -4.798 0.40 66.02 ? 225 ARG A CZ 1 ? ? +2615 ATOM C CZ B ARG A 1 215 ? 11.667 -60.864 -4.722 0.60 71.75 ? 225 ARG A CZ 1 ? ? +2616 ATOM N NH1 A ARG A 1 215 ? 11.177 -60.712 -5.899 0.40 65.66 ? 225 ARG A NH1 1 ? ? +2617 ATOM N NH1 B ARG A 1 215 ? 11.055 -60.563 -5.858 0.60 71.49 ? 225 ARG A NH1 1 ? ? +2618 ATOM N NH2 A ARG A 1 215 ? 11.856 -62.238 -4.327 0.40 66.90 ? 225 ARG A NH2 1 ? ? +2619 ATOM N NH2 B ARG A 1 215 ? 11.536 -62.090 -4.218 0.60 73.06 ? 225 ARG A NH2 1 ? ? +2620 ATOM N N A GLU A 1 216 ? 17.611 -57.438 -5.501 0.40 63.35 ? 226 GLU A N 1 ? ? +2621 ATOM N N B GLU A 1 216 ? 17.627 -57.463 -5.472 0.60 65.20 ? 226 GLU A N 1 ? ? +2622 ATOM C CA A GLU A 1 216 ? 18.645 -57.038 -4.560 0.40 64.13 ? 226 GLU A CA 1 ? ? +2623 ATOM C CA B GLU A 1 216 ? 18.641 -57.049 -4.513 0.60 65.71 ? 226 GLU A CA 1 ? ? +2624 ATOM C C A GLU A 1 216 ? 18.304 -55.704 -3.902 0.40 64.50 ? 226 GLU A C 1 ? ? +2625 ATOM C C B GLU A 1 216 ? 18.272 -55.736 -3.826 0.60 65.82 ? 226 GLU A C 1 ? ? +2626 ATOM O O A GLU A 1 216 ? 19.110 -55.152 -3.156 0.40 64.66 ? 226 GLU A O 1 ? ? +2627 ATOM O O B GLU A 1 216 ? 19.022 -55.246 -2.985 0.60 66.06 ? 226 GLU A O 1 ? ? +2628 ATOM C CB A GLU A 1 216 ? 19.993 -56.892 -5.281 0.40 63.82 ? 226 GLU A CB 1 ? ? +2629 ATOM C CB B GLU A 1 216 ? 19.990 -56.862 -5.231 0.60 65.33 ? 226 GLU A CB 1 ? ? +2630 ATOM C CG A GLU A 1 216 ? 20.547 -58.192 -5.820 0.40 64.18 ? 226 GLU A CG 1 ? ? +2631 ATOM C CG B GLU A 1 216 ? 20.547 -58.128 -5.854 0.60 65.63 ? 226 GLU A CG 1 ? ? +2632 ATOM C CD A GLU A 1 216 ? 21.228 -59.041 -4.771 0.40 65.04 ? 226 GLU A CD 1 ? ? +2633 ATOM C CD B GLU A 1 216 ? 21.161 -59.094 -4.866 0.60 66.58 ? 226 GLU A CD 1 ? ? +2634 ATOM O OE1 A GLU A 1 216 ? 21.373 -58.565 -3.621 0.40 65.27 ? 226 GLU A OE1 1 ? ? +2635 ATOM O OE1 B GLU A 1 216 ? 21.168 -58.793 -3.650 0.60 66.95 ? 226 GLU A OE1 1 ? ? +2636 ATOM O OE2 A GLU A 1 216 ? 21.619 -60.183 -5.099 0.40 65.55 ? 226 GLU A OE2 1 ? ? +2637 ATOM O OE2 B GLU A 1 216 ? 21.649 -60.154 -5.318 0.60 67.10 ? 226 GLU A OE2 1 ? ? +2638 ATOM N N A THR A 1 217 ? 17.108 -55.191 -4.204 0.40 64.89 ? 227 THR A N 1 ? ? +2639 ATOM N N B THR A 1 217 ? 17.115 -55.178 -4.200 0.60 65.79 ? 227 THR A N 1 ? ? +2640 ATOM C CA A THR A 1 217 ? 16.729 -53.842 -3.827 0.40 65.20 ? 227 THR A CA 1 ? ? +2641 ATOM C CA B THR A 1 217 ? 16.734 -53.826 -3.833 0.60 65.83 ? 227 THR A CA 1 ? ? +2642 ATOM C C A THR A 1 217 ? 15.255 -53.769 -3.439 0.40 65.94 ? 227 THR A C 1 ? ? +2643 ATOM C C B THR A 1 217 ? 15.260 -53.764 -3.442 0.60 66.20 ? 227 THR A C 1 ? ? +2644 ATOM O O A THR A 1 217 ? 14.478 -54.649 -3.798 0.40 65.81 ? 227 THR A O 1 ? ? +2645 ATOM O O B THR A 1 217 ? 14.487 -54.646 -3.799 0.60 65.82 ? 227 THR A O 1 ? ? +2646 ATOM C CB A THR A 1 217 ? 17.028 -52.892 -4.987 0.40 64.56 ? 227 THR A CB 1 ? ? +2647 ATOM C CB B THR A 1 217 ? 17.020 -52.876 -5.004 0.60 65.20 ? 227 THR A CB 1 ? ? +2648 ATOM O OG1 A THR A 1 217 ? 16.530 -53.479 -6.195 0.40 64.54 ? 227 THR A OG1 1 ? ? +2649 ATOM O OG1 B THR A 1 217 ? 16.516 -53.468 -6.210 0.60 65.25 ? 227 THR A OG1 1 ? ? +2650 ATOM C CG2 A THR A 1 217 ? 18.511 -52.598 -5.136 0.40 64.51 ? 227 THR A CG2 1 ? ? +2651 ATOM C CG2 B THR A 1 217 ? 18.497 -52.573 -5.162 0.60 65.19 ? 227 THR A CG2 1 ? ? +2652 ATOM N N . THR A 1 218 ? 14.893 -52.708 -2.707 1.00 66.72 ? 228 THR A N 1 ? ? +2653 ATOM C CA . THR A 1 218 ? 13.508 -52.427 -2.361 1.00 68.60 ? 228 THR A CA 1 ? ? +2654 ATOM C CB . THR A 1 218 ? 13.400 -51.673 -1.032 1.00 69.81 ? 228 THR A CB 1 ? ? +2655 ATOM O OG1 . THR A 1 218 ? 13.904 -50.347 -1.226 1.00 70.27 ? 228 THR A OG1 1 ? ? +2656 ATOM C CG2 . THR A 1 218 ? 14.149 -52.365 0.101 1.00 70.67 ? 228 THR A CG2 1 ? ? +2657 ATOM C C . THR A 1 218 ? 12.900 -51.608 -3.496 1.00 69.17 ? 228 THR A C 1 ? ? +2658 ATOM O O . THR A 1 218 ? 13.622 -51.182 -4.392 1.00 67.50 ? 228 THR A O 1 ? ? +2659 ATOM N N . GLU A 1 219 ? 11.582 -51.362 -3.434 1.00 71.74 ? 229 GLU A N 1 ? ? +2660 ATOM C CA . GLU A 1 219 ? 10.883 -50.690 -4.525 1.00 72.88 ? 229 GLU A CA 1 ? ? +2661 ATOM C CB . GLU A 1 219 ? 9.370 -51.024 -4.525 1.00 75.51 ? 229 GLU A CB 1 ? ? +2662 ATOM C CG . GLU A 1 219 ? 8.542 -50.416 -3.408 1.00 78.30 ? 229 GLU A CG 1 ? ? +2663 ATOM C CD . GLU A 1 219 ? 7.036 -50.635 -3.548 1.00 82.59 ? 229 GLU A CD 1 ? ? +2664 ATOM O OE1 . GLU A 1 219 ? 6.554 -50.907 -4.676 1.00 84.39 ? 229 GLU A OE1 1 ? ? +2665 ATOM O OE2 . GLU A 1 219 ? 6.335 -50.542 -2.513 1.00 83.82 ? 229 GLU A OE2 1 ? ? +2666 ATOM C C . GLU A 1 219 ? 11.092 -49.175 -4.552 1.00 71.04 ? 229 GLU A C 1 ? ? +2667 ATOM O O . GLU A 1 219 ? 10.825 -48.538 -5.569 1.00 70.31 ? 229 GLU A O 1 ? ? +2668 ATOM N N . THR A 1 220 ? 11.597 -48.608 -3.450 1.00 71.14 ? 230 THR A N 1 ? ? +2669 ATOM C CA . THR A 1 220 ? 11.903 -47.184 -3.379 1.00 70.40 ? 230 THR A CA 1 ? ? +2670 ATOM C CB . THR A 1 220 ? 11.761 -46.717 -1.928 1.00 70.96 ? 230 THR A CB 1 ? ? +2671 ATOM O OG1 . THR A 1 220 ? 12.737 -47.418 -1.156 1.00 70.22 ? 230 THR A OG1 1 ? ? +2672 ATOM C CG2 . THR A 1 220 ? 10.346 -46.952 -1.363 1.00 71.58 ? 230 THR A CG2 1 ? ? +2673 ATOM C C . THR A 1 220 ? 13.295 -46.800 -3.889 1.00 68.85 ? 230 THR A C 1 ? ? +2674 ATOM O O . THR A 1 220 ? 13.663 -45.628 -3.885 1.00 68.07 ? 230 THR A O 1 ? ? +2675 ATOM N N . GLU A 1 221 ? 14.088 -47.783 -4.322 1.00 67.96 ? 231 GLU A N 1 ? ? +2676 ATOM C CA . GLU A 1 221 ? 15.421 -47.482 -4.818 1.00 67.66 ? 231 GLU A CA 1 ? ? +2677 ATOM C CB . GLU A 1 221 ? 16.509 -47.939 -3.814 1.00 70.00 ? 231 GLU A CB 1 ? ? +2678 ATOM C CG . GLU A 1 221 ? 16.435 -49.402 -3.436 1.00 73.07 ? 231 GLU A CG 1 ? ? +2679 ATOM C CD . GLU A 1 221 ? 17.363 -49.841 -2.316 1.00 76.45 ? 231 GLU A CD 1 ? ? +2680 ATOM O OE1 . GLU A 1 221 ? 18.378 -49.144 -2.092 1.00 81.50 ? 231 GLU A OE1 1 ? ? +2681 ATOM O OE2 . GLU A 1 221 ? 17.075 -50.867 -1.651 1.00 77.05 ? 231 GLU A OE2 1 ? ? +2682 ATOM C C . GLU A 1 221 ? 15.608 -48.090 -6.204 1.00 64.42 ? 231 GLU A C 1 ? ? +2683 ATOM O O . GLU A 1 221 ? 14.993 -49.101 -6.533 1.00 64.59 ? 231 GLU A O 1 ? ? +2684 ATOM N N A SER A 1 222 ? 16.452 -47.440 -7.014 0.40 62.76 ? 232 SER A N 1 ? ? +2685 ATOM N N B SER A 1 222 ? 16.447 -47.437 -7.015 0.60 62.38 ? 232 SER A N 1 ? ? +2686 ATOM C CA A SER A 1 222 ? 16.784 -47.924 -8.343 0.40 61.48 ? 232 SER A CA 1 ? ? +2687 ATOM C CA B SER A 1 222 ? 16.781 -47.932 -8.339 0.60 60.92 ? 232 SER A CA 1 ? ? +2688 ATOM C C A SER A 1 222 ? 17.359 -49.334 -8.264 0.40 61.16 ? 232 SER A C 1 ? ? +2689 ATOM C C B SER A 1 222 ? 17.349 -49.345 -8.248 0.60 60.60 ? 232 SER A C 1 ? ? +2690 ATOM O O A SER A 1 222 ? 18.177 -49.620 -7.394 0.40 61.89 ? 232 SER A O 1 ? ? +2691 ATOM O O B SER A 1 222 ? 18.171 -49.627 -7.378 0.60 61.45 ? 232 SER A O 1 ? ? +2692 ATOM C CB A SER A 1 222 ? 17.778 -46.983 -9.014 0.40 60.81 ? 232 SER A CB 1 ? ? +2693 ATOM C CB B SER A 1 222 ? 17.781 -47.002 -9.015 0.60 60.12 ? 232 SER A CB 1 ? ? +2694 ATOM O OG A SER A 1 222 ? 18.179 -47.479 -10.279 0.40 60.47 ? 232 SER A OG 1 ? ? +2695 ATOM O OG B SER A 1 222 ? 18.240 -47.546 -10.239 0.60 59.65 ? 232 SER A OG 1 ? ? +2696 ATOM N N A ALA A 1 223 ? 16.910 -50.207 -9.171 0.40 60.12 ? 233 ALA A N 1 ? ? +2697 ATOM N N B ALA A 1 223 ? 16.903 -50.222 -9.154 0.60 59.54 ? 233 ALA A N 1 ? ? +2698 ATOM C CA A ALA A 1 223 ? 17.389 -51.577 -9.218 0.40 59.88 ? 233 ALA A CA 1 ? ? +2699 ATOM C CA B ALA A 1 223 ? 17.395 -51.588 -9.210 0.60 59.32 ? 233 ALA A CA 1 ? ? +2700 ATOM C C A ALA A 1 223 ? 18.882 -51.616 -9.535 0.40 59.43 ? 233 ALA A C 1 ? ? +2701 ATOM C C B ALA A 1 223 ? 18.882 -51.638 -9.565 0.60 58.94 ? 233 ALA A C 1 ? ? +2702 ATOM O O A ALA A 1 223 ? 19.552 -52.611 -9.267 0.40 59.69 ? 233 ALA A O 1 ? ? +2703 ATOM O O B ALA A 1 223 ? 19.545 -52.640 -9.306 0.60 59.02 ? 233 ALA A O 1 ? ? +2704 ATOM C CB A ALA A 1 223 ? 16.608 -52.371 -10.249 0.40 59.74 ? 233 ALA A CB 1 ? ? +2705 ATOM C CB B ALA A 1 223 ? 16.589 -52.391 -10.213 0.60 59.17 ? 233 ALA A CB 1 ? ? +2706 ATOM N N A ASN A 1 224 ? 19.391 -50.513 -10.094 0.40 58.45 ? 234 ASN A N 1 ? ? +2707 ATOM N N B ASN A 1 224 ? 19.393 -50.546 -10.149 0.60 58.08 ? 234 ASN A N 1 ? ? +2708 ATOM C CA A ASN A 1 224 ? 20.774 -50.438 -10.536 0.40 58.17 ? 234 ASN A CA 1 ? ? +2709 ATOM C CA B ASN A 1 224 ? 20.786 -50.461 -10.559 0.60 57.96 ? 234 ASN A CA 1 ? ? +2710 ATOM C C A ASN A 1 224 ? 21.737 -50.576 -9.360 0.40 58.44 ? 234 ASN A C 1 ? ? +2711 ATOM C C B ASN A 1 224 ? 21.745 -50.596 -9.378 0.60 58.41 ? 234 ASN A C 1 ? ? +2712 ATOM O O A ASN A 1 224 ? 22.845 -51.080 -9.522 0.40 58.72 ? 234 ASN A O 1 ? ? +2713 ATOM O O B ASN A 1 224 ? 22.833 -51.141 -9.532 0.60 58.69 ? 234 ASN A O 1 ? ? +2714 ATOM C CB A ASN A 1 224 ? 21.012 -49.139 -11.298 0.40 57.51 ? 234 ASN A CB 1 ? ? +2715 ATOM C CB B ASN A 1 224 ? 21.032 -49.155 -11.312 0.60 57.27 ? 234 ASN A CB 1 ? ? +2716 ATOM C CG A ASN A 1 224 ? 20.339 -49.132 -12.651 0.40 57.13 ? 234 ASN A CG 1 ? ? +2717 ATOM C CG B ASN A 1 224 ? 20.316 -49.092 -12.648 0.60 56.87 ? 234 ASN A CG 1 ? ? +2718 ATOM O OD1 A ASN A 1 224 ? 20.000 -50.176 -13.207 0.40 57.39 ? 234 ASN A OD1 1 ? ? +2719 ATOM O OD1 B ASN A 1 224 ? 19.893 -50.098 -13.210 0.60 57.14 ? 234 ASN A OD1 1 ? ? +2720 ATOM N ND2 A ASN A 1 224 ? 20.147 -47.962 -13.227 0.40 56.64 ? 234 ASN A ND2 1 ? ? +2721 ATOM N ND2 B ASN A 1 224 ? 20.179 -47.908 -13.206 0.60 56.39 ? 234 ASN A ND2 1 ? ? +2722 ATOM N N A TYR A 1 225 ? 21.289 -50.155 -8.173 0.40 58.40 ? 235 TYR A N 1 ? ? +2723 ATOM N N B TYR A 1 225 ? 21.316 -50.141 -8.194 0.60 58.66 ? 235 TYR A N 1 ? ? +2724 ATOM C CA A TYR A 1 225 ? 22.096 -50.247 -6.966 0.40 58.69 ? 235 TYR A CA 1 ? ? +2725 ATOM C CA B TYR A 1 225 ? 22.115 -50.264 -6.983 0.60 59.21 ? 235 TYR A CA 1 ? ? +2726 ATOM C C A TYR A 1 225 ? 22.238 -51.682 -6.461 0.40 59.05 ? 235 TYR A C 1 ? ? +2727 ATOM C C B TYR A 1 225 ? 22.274 -51.704 -6.489 0.60 59.69 ? 235 TYR A C 1 ? ? +2728 ATOM O O A TYR A 1 225 ? 22.909 -51.935 -5.461 0.40 59.43 ? 235 TYR A O 1 ? ? +2729 ATOM O O B TYR A 1 225 ? 23.042 -51.966 -5.562 0.60 60.02 ? 235 TYR A O 1 ? ? +2730 ATOM C CB A TYR A 1 225 ? 21.500 -49.347 -5.874 0.40 58.80 ? 235 TYR A CB 1 ? ? +2731 ATOM C CB B TYR A 1 225 ? 21.515 -49.371 -5.879 0.60 59.44 ? 235 TYR A CB 1 ? ? +2732 ATOM C CG A TYR A 1 225 ? 21.741 -47.880 -6.142 0.40 58.51 ? 235 TYR A CG 1 ? ? +2733 ATOM C CG B TYR A 1 225 ? 21.730 -47.902 -6.160 0.60 59.31 ? 235 TYR A CG 1 ? ? +2734 ATOM C CD1 A TYR A 1 225 ? 23.030 -47.385 -6.303 0.40 58.47 ? 235 TYR A CD1 1 ? ? +2735 ATOM C CD1 B TYR A 1 225 ? 23.010 -47.390 -6.356 0.60 59.27 ? 235 TYR A CD1 1 ? ? +2736 ATOM C CD2 A TYR A 1 225 ? 20.684 -46.988 -6.248 0.40 58.08 ? 235 TYR A CD2 1 ? ? +2737 ATOM C CD2 B TYR A 1 225 ? 20.657 -47.023 -6.249 0.60 58.89 ? 235 TYR A CD2 1 ? ? +2738 ATOM C CE1 A TYR A 1 225 ? 23.260 -46.039 -6.558 0.40 58.08 ? 235 TYR A CE1 1 ? ? +2739 ATOM C CE1 B TYR A 1 225 ? 23.217 -46.041 -6.625 0.60 58.92 ? 235 TYR A CE1 1 ? ? +2740 ATOM C CE2 A TYR A 1 225 ? 20.901 -45.639 -6.505 0.40 57.69 ? 235 TYR A CE2 1 ? ? +2741 ATOM C CE2 B TYR A 1 225 ? 20.852 -45.672 -6.524 0.60 58.54 ? 235 TYR A CE2 1 ? ? +2742 ATOM C CZ A TYR A 1 225 ? 22.192 -45.167 -6.659 0.40 57.86 ? 235 TYR A CZ 1 ? ? +2743 ATOM C CZ B TYR A 1 225 ? 22.134 -45.183 -6.709 0.60 58.84 ? 235 TYR A CZ 1 ? ? +2744 ATOM O OH A TYR A 1 225 ? 22.422 -43.832 -6.908 0.40 57.68 ? 235 TYR A OH 1 ? ? +2745 ATOM O OH B TYR A 1 225 ? 22.336 -43.846 -6.972 0.60 58.82 ? 235 TYR A OH 1 ? ? +2746 ATOM N N A GLY A 1 226 ? 21.602 -52.618 -7.170 0.40 58.82 ? 236 GLY A N 1 ? ? +2747 ATOM N N B GLY A 1 226 ? 21.556 -52.637 -7.121 0.60 59.63 ? 236 GLY A N 1 ? ? +2748 ATOM C CA A GLY A 1 226 ? 21.684 -54.028 -6.832 0.40 59.12 ? 236 GLY A CA 1 ? ? +2749 ATOM C CA B GLY A 1 226 ? 21.688 -54.052 -6.819 0.60 59.96 ? 236 GLY A CA 1 ? ? +2750 ATOM C C A GLY A 1 226 ? 22.934 -54.685 -7.408 0.40 58.94 ? 236 GLY A C 1 ? ? +2751 ATOM C C B GLY A 1 226 ? 22.945 -54.686 -7.408 0.60 59.79 ? 236 GLY A C 1 ? ? +2752 ATOM O O A GLY A 1 226 ? 23.303 -55.788 -7.010 0.40 59.26 ? 236 GLY A O 1 ? ? +2753 ATOM O O B GLY A 1 226 ? 23.316 -55.794 -7.027 0.60 59.94 ? 236 GLY A O 1 ? ? +2754 ATOM N N A TYR A 1 227 ? 23.559 -53.995 -8.367 0.40 58.34 ? 237 TYR A N 1 ? ? +2755 ATOM N N B TYR A 1 227 ? 23.566 -53.984 -8.363 0.60 59.37 ? 237 TYR A N 1 ? ? +2756 ATOM C CA A TYR A 1 227 ? 24.834 -54.419 -8.922 0.40 58.49 ? 237 TYR A CA 1 ? ? +2757 ATOM C CA B TYR A 1 227 ? 24.851 -54.387 -8.914 0.60 59.72 ? 237 TYR A CA 1 ? ? +2758 ATOM C C A TYR A 1 227 ? 25.950 -53.525 -8.385 0.40 58.44 ? 237 TYR A C 1 ? ? +2759 ATOM C C B TYR A 1 227 ? 25.961 -53.504 -8.346 0.60 59.99 ? 237 TYR A C 1 ? ? +2760 ATOM O O A TYR A 1 227 ? 25.780 -52.313 -8.292 0.40 58.01 ? 237 TYR A O 1 ? ? +2761 ATOM O O B TYR A 1 227 ? 25.796 -52.292 -8.256 0.60 59.56 ? 237 TYR A O 1 ? ? +2762 ATOM C CB A TYR A 1 227 ? 24.818 -54.381 -10.461 0.40 58.00 ? 237 TYR A CB 1 ? ? +2763 ATOM C CB B TYR A 1 227 ? 24.856 -54.308 -10.450 0.60 59.13 ? 237 TYR A CB 1 ? ? +2764 ATOM C CG A TYR A 1 227 ? 26.195 -54.583 -11.055 0.40 58.25 ? 237 TYR A CG 1 ? ? +2765 ATOM C CG B TYR A 1 227 ? 26.232 -54.564 -11.027 0.60 59.40 ? 237 TYR A CG 1 ? ? +2766 ATOM C CD1 A TYR A 1 227 ? 26.718 -55.856 -11.233 0.40 58.76 ? 237 TYR A CD1 1 ? ? +2767 ATOM C CD1 B TYR A 1 227 ? 26.714 -55.858 -11.180 0.60 59.90 ? 237 TYR A CD1 1 ? ? +2768 ATOM C CD2 A TYR A 1 227 ? 26.996 -53.500 -11.385 0.40 57.88 ? 237 TYR A CD2 1 ? ? +2769 ATOM C CD2 B TYR A 1 227 ? 27.080 -53.513 -11.350 0.60 58.92 ? 237 TYR A CD2 1 ? ? +2770 ATOM C CE1 A TYR A 1 227 ? 27.987 -56.045 -11.762 0.40 58.85 ? 237 TYR A CE1 1 ? ? +2771 ATOM C CE1 B TYR A 1 227 ? 27.982 -56.100 -11.686 0.60 59.94 ? 237 TYR A CE1 1 ? ? +2772 ATOM C CE2 A TYR A 1 227 ? 28.267 -53.676 -11.909 0.40 58.05 ? 237 TYR A CE2 1 ? ? +2773 ATOM C CE2 B TYR A 1 227 ? 28.352 -53.742 -11.852 0.60 59.10 ? 237 TYR A CE2 1 ? ? +2774 ATOM C CZ A TYR A 1 227 ? 28.763 -54.951 -12.093 0.40 58.59 ? 237 TYR A CZ 1 ? ? +2775 ATOM C CZ B TYR A 1 227 ? 28.804 -55.038 -12.016 0.60 59.69 ? 237 TYR A CZ 1 ? ? +2776 ATOM O OH A TYR A 1 227 ? 30.033 -55.115 -12.606 0.40 58.79 ? 237 TYR A OH 1 ? ? +2777 ATOM O OH B TYR A 1 227 ? 30.074 -55.267 -12.502 0.60 59.86 ? 237 TYR A OH 1 ? ? +2778 ATOM N N A LYS A 1 228 ? 27.082 -54.138 -8.018 0.40 58.98 ? 238 LYS A N 1 ? ? +2779 ATOM N N B LYS A 1 228 ? 27.077 -54.125 -7.942 0.60 60.93 ? 238 LYS A N 1 ? ? +2780 ATOM C CA A LYS A 1 228 ? 28.241 -53.398 -7.542 0.40 59.17 ? 238 LYS A CA 1 ? ? +2781 ATOM C CA B LYS A 1 228 ? 28.251 -53.399 -7.476 0.60 61.52 ? 238 LYS A CA 1 ? ? +2782 ATOM C C A LYS A 1 228 ? 29.455 -53.636 -8.436 0.40 58.92 ? 238 LYS A C 1 ? ? +2783 ATOM C C B LYS A 1 228 ? 29.432 -53.630 -8.418 0.60 61.25 ? 238 LYS A C 1 ? ? +2784 ATOM O O A LYS A 1 228 ? 29.847 -54.776 -8.676 0.40 59.19 ? 238 LYS A O 1 ? ? +2785 ATOM O O B LYS A 1 228 ? 29.798 -54.770 -8.693 0.60 61.38 ? 238 LYS A O 1 ? ? +2786 ATOM C CB A LYS A 1 228 ? 28.595 -53.774 -6.094 0.40 60.17 ? 238 LYS A CB 1 ? ? +2787 ATOM C CB B LYS A 1 228 ? 28.654 -53.811 -6.047 0.60 62.92 ? 238 LYS A CB 1 ? ? +2788 ATOM C CG A LYS A 1 228 ? 27.886 -52.929 -5.036 0.40 60.45 ? 238 LYS A CG 1 ? ? +2789 ATOM C CG B LYS A 1 228 ? 28.016 -52.961 -4.938 0.60 63.69 ? 238 LYS A CG 1 ? ? +2790 ATOM C CD A LYS A 1 228 ? 26.387 -53.226 -4.946 0.40 60.70 ? 238 LYS A CD 1 ? ? +2791 ATOM C CD B LYS A 1 228 ? 26.558 -53.313 -4.696 0.60 64.52 ? 238 LYS A CD 1 ? ? +2792 ATOM C CE A LYS A 1 228 ? 25.667 -52.326 -3.965 0.40 60.88 ? 238 LYS A CE 1 ? ? +2793 ATOM C CE B LYS A 1 228 ? 25.847 -52.347 -3.774 0.60 65.01 ? 238 LYS A CE 1 ? ? +2794 ATOM N NZ A LYS A 1 228 ? 25.493 -50.941 -4.502 0.40 60.35 ? 238 LYS A NZ 1 ? ? +2795 ATOM N NZ B LYS A 1 228 ? 25.553 -51.039 -4.446 0.60 64.72 ? 238 LYS A NZ 1 ? ? +2796 ATOM N N A PHE A 1 229 ? 30.047 -52.536 -8.911 0.40 58.32 ? 239 PHE A N 1 ? ? +2797 ATOM N N B PHE A 1 229 ? 30.034 -52.531 -8.886 0.60 60.75 ? 239 PHE A N 1 ? ? +2798 ATOM C CA A PHE A 1 229 ? 31.192 -52.595 -9.803 0.40 58.13 ? 239 PHE A CA 1 ? ? +2799 ATOM C CA B PHE A 1 229 ? 31.163 -52.596 -9.801 0.60 60.58 ? 239 PHE A CA 1 ? ? +2800 ATOM C C A PHE A 1 229 ? 32.281 -53.518 -9.266 0.40 58.70 ? 239 PHE A C 1 ? ? +2801 ATOM C C B PHE A 1 229 ? 32.244 -53.554 -9.307 0.60 61.18 ? 239 PHE A C 1 ? ? +2802 ATOM O O A PHE A 1 229 ? 32.772 -53.325 -8.158 0.40 59.10 ? 239 PHE A O 1 ? ? +2803 ATOM O O B PHE A 1 229 ? 32.738 -53.414 -8.193 0.60 61.67 ? 239 PHE A O 1 ? ? +2804 ATOM C CB A PHE A 1 229 ? 31.763 -51.191 -10.018 0.40 57.68 ? 239 PHE A CB 1 ? ? +2805 ATOM C CB B PHE A 1 229 ? 31.761 -51.200 -10.003 0.60 60.14 ? 239 PHE A CB 1 ? ? +2806 ATOM C CG A PHE A 1 229 ? 32.922 -51.157 -10.978 0.40 57.63 ? 239 PHE A CG 1 ? ? +2807 ATOM C CG B PHE A 1 229 ? 32.928 -51.172 -10.956 0.60 60.08 ? 239 PHE A CG 1 ? ? +2808 ATOM C CD1 A PHE A 1 229 ? 32.772 -51.585 -12.282 0.40 57.30 ? 239 PHE A CD1 1 ? ? +2809 ATOM C CD1 B PHE A 1 229 ? 32.785 -51.593 -12.265 0.60 59.67 ? 239 PHE A CD1 1 ? ? +2810 ATOM C CD2 A PHE A 1 229 ? 34.163 -50.703 -10.573 0.40 58.00 ? 239 PHE A CD2 1 ? ? +2811 ATOM C CD2 B PHE A 1 229 ? 34.173 -50.732 -10.539 0.60 60.60 ? 239 PHE A CD2 1 ? ? +2812 ATOM C CE1 A PHE A 1 229 ? 33.841 -51.557 -13.161 0.40 57.38 ? 239 PHE A CE1 1 ? ? +2813 ATOM C CE1 B PHE A 1 229 ? 33.863 -51.575 -13.136 0.60 59.82 ? 239 PHE A CE1 1 ? ? +2814 ATOM C CE2 A PHE A 1 229 ? 35.230 -50.678 -11.454 0.40 57.94 ? 239 PHE A CE2 1 ? ? +2815 ATOM C CE2 B PHE A 1 229 ? 35.250 -50.716 -11.411 0.60 60.44 ? 239 PHE A CE2 1 ? ? +2816 ATOM C CZ A PHE A 1 229 ? 35.064 -51.103 -12.742 0.40 57.70 ? 239 PHE A CZ 1 ? ? +2817 ATOM C CZ B PHE A 1 229 ? 35.090 -51.134 -12.704 0.60 60.17 ? 239 PHE A CZ 1 ? ? +2818 ATOM N N A GLY A 1 230 ? 32.633 -54.533 -10.062 0.40 58.86 ? 240 GLY A N 1 ? ? +2819 ATOM N N B GLY A 1 230 ? 32.577 -54.544 -10.143 0.60 61.45 ? 240 GLY A N 1 ? ? +2820 ATOM C CA A GLY A 1 230 ? 33.692 -55.464 -9.711 0.40 59.48 ? 240 GLY A CA 1 ? ? +2821 ATOM C CA B GLY A 1 230 ? 33.625 -55.506 -9.844 0.60 62.11 ? 240 GLY A CA 1 ? ? +2822 ATOM C C A GLY A 1 230 ? 33.231 -56.738 -9.005 0.40 60.09 ? 240 GLY A C 1 ? ? +2823 ATOM C C B GLY A 1 230 ? 33.191 -56.756 -9.079 0.60 62.91 ? 240 GLY A C 1 ? ? +2824 ATOM O O A GLY A 1 230 ? 34.045 -57.622 -8.744 0.40 60.63 ? 240 GLY A O 1 ? ? +2825 ATOM O O B GLY A 1 230 ? 34.034 -57.590 -8.753 0.60 63.37 ? 240 GLY A O 1 ? ? +2826 ATOM N N A GLN A 1 231 ? 31.927 -56.832 -8.705 0.40 60.03 ? 241 GLN A N 1 ? ? +2827 ATOM N N B GLN A 1 231 ? 31.885 -56.892 -8.803 0.60 63.15 ? 241 GLN A N 1 ? ? +2828 ATOM C CA A GLN A 1 231 ? 31.391 -57.971 -7.974 0.40 60.58 ? 241 GLN A CA 1 ? ? +2829 ATOM C CA B GLN A 1 231 ? 31.387 -58.033 -8.050 0.60 63.88 ? 241 GLN A CA 1 ? ? +2830 ATOM C C A GLN A 1 231 ? 31.549 -59.248 -8.792 0.40 61.17 ? 241 GLN A C 1 ? ? +2831 ATOM C C B GLN A 1 231 ? 31.575 -59.317 -8.853 0.60 65.01 ? 241 GLN A C 1 ? ? +2832 ATOM O O A GLN A 1 231 ? 31.409 -59.229 -10.012 0.40 60.76 ? 241 GLN A O 1 ? ? +2833 ATOM O O B GLN A 1 231 ? 31.491 -59.301 -10.077 0.60 64.65 ? 241 GLN A O 1 ? ? +2834 ATOM C CB A GLN A 1 231 ? 29.916 -57.765 -7.620 0.40 60.17 ? 241 GLN A CB 1 ? ? +2835 ATOM C CB B GLN A 1 231 ? 29.912 -57.860 -7.668 0.60 63.33 ? 241 GLN A CB 1 ? ? +2836 ATOM C CG A GLN A 1 231 ? 28.984 -57.861 -8.823 0.40 59.51 ? 241 GLN A CG 1 ? ? +2837 ATOM C CG B GLN A 1 231 ? 28.946 -57.926 -8.856 0.60 62.49 ? 241 GLN A CG 1 ? ? +2838 ATOM C CD A GLN A 1 231 ? 27.531 -57.836 -8.420 0.40 59.14 ? 241 GLN A CD 1 ? ? +2839 ATOM C CD B GLN A 1 231 ? 27.505 -57.889 -8.412 0.60 61.88 ? 241 GLN A CD 1 ? ? +2840 ATOM O OE1 A GLN A 1 231 ? 27.047 -56.910 -7.761 0.40 58.65 ? 241 GLN A OE1 1 ? ? +2841 ATOM O OE1 B GLN A 1 231 ? 27.053 -56.975 -7.716 0.60 61.11 ? 241 GLN A OE1 1 ? ? +2842 ATOM N NE2 A GLN A 1 231 ? 26.809 -58.860 -8.813 0.40 59.30 ? 241 GLN A NE2 1 ? ? +2843 ATOM N NE2 B GLN A 1 231 ? 26.754 -58.891 -8.803 0.60 62.07 ? 241 GLN A NE2 1 ? ? +2844 ATOM N N A GLU A 1 232 ? 31.831 -60.355 -8.100 0.40 62.42 ? 242 GLU A N 1 ? ? +2845 ATOM N N B GLU A 1 232 ? 31.828 -60.419 -8.139 0.60 67.20 ? 242 GLU A N 1 ? ? +2846 ATOM C CA A GLU A 1 232 ? 32.166 -61.608 -8.753 0.40 63.29 ? 242 GLU A CA 1 ? ? +2847 ATOM C CA B GLU A 1 232 ? 32.155 -61.702 -8.739 0.60 68.98 ? 242 GLU A CA 1 ? ? +2848 ATOM C C A GLU A 1 232 ? 30.960 -62.216 -9.466 0.40 63.15 ? 242 GLU A C 1 ? ? +2849 ATOM C C B GLU A 1 232 ? 30.960 -62.387 -9.400 0.60 68.75 ? 242 GLU A C 1 ? ? +2850 ATOM O O A GLU A 1 232 ? 31.053 -62.609 -10.625 0.40 62.95 ? 242 GLU A O 1 ? ? +2851 ATOM O O B GLU A 1 232 ? 31.104 -63.026 -10.439 0.60 68.66 ? 242 GLU A O 1 ? ? +2852 ATOM C CB A GLU A 1 232 ? 32.731 -62.599 -7.721 0.40 64.51 ? 242 GLU A CB 1 ? ? +2853 ATOM C CB B GLU A 1 232 ? 32.703 -62.654 -7.655 0.60 71.24 ? 242 GLU A CB 1 ? ? +2854 ATOM C CG A GLU A 1 232 ? 33.967 -62.096 -6.992 0.40 65.17 ? 242 GLU A CG 1 ? ? +2855 ATOM C CG B GLU A 1 232 ? 34.084 -62.335 -7.117 0.60 72.97 ? 242 GLU A CG 1 ? ? +2856 ATOM C CD A GLU A 1 232 ? 35.118 -61.692 -7.905 0.40 65.38 ? 242 GLU A CD 1 ? ? +2857 ATOM C CD B GLU A 1 232 ? 35.220 -63.082 -7.801 0.60 75.06 ? 242 GLU A CD 1 ? ? +2858 ATOM O OE1 A GLU A 1 232 ? 34.856 -61.455 -9.110 0.40 64.91 ? 242 GLU A OE1 1 ? ? +2859 ATOM O OE1 B GLU A 1 232 ? 34.995 -63.623 -8.913 0.60 76.29 ? 242 GLU A OE1 1 ? ? +2860 ATOM O OE2 A GLU A 1 232 ? 36.276 -61.621 -7.424 0.40 66.02 ? 242 GLU A OE2 1 ? ? +2861 ATOM O OE2 B GLU A 1 232 ? 36.326 -63.160 -7.212 0.60 76.03 ? 242 GLU A OE2 1 ? ? +2862 ATOM N N A GLU A 1 233 ? 29.822 -62.272 -8.765 0.40 63.39 ? 243 GLU A N 1 ? ? +2863 ATOM N N B GLU A 1 233 ? 29.783 -62.265 -8.779 0.60 68.87 ? 243 GLU A N 1 ? ? +2864 ATOM C CA A GLU A 1 233 ? 28.647 -62.985 -9.244 0.40 63.43 ? 243 GLU A CA 1 ? ? +2865 ATOM C CA B GLU A 1 233 ? 28.615 -63.026 -9.203 0.60 68.86 ? 243 GLU A CA 1 ? ? +2866 ATOM C C A GLU A 1 233 ? 27.837 -62.212 -10.282 0.40 62.15 ? 243 GLU A C 1 ? ? +2867 ATOM C C B GLU A 1 233 ? 27.806 -62.266 -10.250 0.60 66.56 ? 243 GLU A C 1 ? ? +2868 ATOM O O A GLU A 1 233 ? 27.759 -60.988 -10.239 0.40 61.51 ? 243 GLU A O 1 ? ? +2869 ATOM O O B GLU A 1 233 ? 27.747 -61.042 -10.228 0.60 65.66 ? 243 GLU A O 1 ? ? +2870 ATOM C CB A GLU A 1 233 ? 27.751 -63.356 -8.053 0.40 64.19 ? 243 GLU A CB 1 ? ? +2871 ATOM C CB B GLU A 1 233 ? 27.710 -63.431 -8.016 0.60 70.32 ? 243 GLU A CB 1 ? ? +2872 ATOM C CG A GLU A 1 233 ? 27.855 -62.385 -6.892 0.40 64.63 ? 243 GLU A CG 1 ? ? +2873 ATOM C CG B GLU A 1 233 ? 27.460 -62.379 -6.949 0.60 71.49 ? 243 GLU A CG 1 ? ? +2874 ATOM C CD A GLU A 1 233 ? 29.207 -62.393 -6.191 0.40 65.67 ? 243 GLU A CD 1 ? ? +2875 ATOM C CD B GLU A 1 233 ? 28.553 -62.244 -5.904 0.60 73.57 ? 243 GLU A CD 1 ? ? +2876 ATOM O OE1 A GLU A 1 233 ? 29.652 -63.483 -5.758 0.40 66.82 ? 243 GLU A OE1 1 ? ? +2877 ATOM O OE1 B GLU A 1 233 ? 29.037 -63.288 -5.403 0.60 75.99 ? 243 GLU A OE1 1 ? ? +2878 ATOM O OE2 A GLU A 1 233 ? 29.828 -61.309 -6.075 0.40 65.70 ? 243 GLU A OE2 1 ? ? +2879 ATOM O OE2 B GLU A 1 233 ? 28.915 -61.090 -5.575 0.60 74.29 ? 243 GLU A OE2 1 ? ? +2880 ATOM N N A GLU A 1 234 ? 27.246 -62.957 -11.221 0.40 61.89 ? 244 GLU A N 1 ? ? +2881 ATOM N N B GLU A 1 234 ? 27.196 -63.019 -11.171 0.60 65.77 ? 244 GLU A N 1 ? ? +2882 ATOM C CA A GLU A 1 234 ? 26.380 -62.392 -12.242 0.40 61.24 ? 244 GLU A CA 1 ? ? +2883 ATOM C CA B GLU A 1 234 ? 26.337 -62.446 -12.194 0.60 64.91 ? 244 GLU A CA 1 ? ? +2884 ATOM C C A GLU A 1 234 ? 25.142 -61.767 -11.595 0.40 60.69 ? 244 GLU A C 1 ? ? +2885 ATOM C C B GLU A 1 234 ? 25.095 -61.827 -11.548 0.60 63.84 ? 244 GLU A C 1 ? ? +2886 ATOM O O A GLU A 1 234 ? 24.697 -62.203 -10.536 0.40 60.82 ? 244 GLU A O 1 ? ? +2887 ATOM O O B GLU A 1 234 ? 24.634 -62.285 -10.505 0.60 63.62 ? 244 GLU A O 1 ? ? +2888 ATOM C CB A GLU A 1 234 ? 26.008 -63.486 -13.257 0.40 61.47 ? 244 GLU A CB 1 ? ? +2889 ATOM C CB B GLU A 1 234 ? 25.977 -63.524 -13.235 0.60 65.17 ? 244 GLU A CB 1 ? ? +2890 ATOM C CG A GLU A 1 234 ? 25.533 -62.958 -14.595 0.40 60.88 ? 244 GLU A CG 1 ? ? +2891 ATOM C CG B GLU A 1 234 ? 25.466 -62.985 -14.561 0.60 64.60 ? 244 GLU A CG 1 ? ? +2892 ATOM C CD A GLU A 1 234 ? 26.262 -61.715 -15.054 0.40 60.46 ? 244 GLU A CD 1 ? ? +2893 ATOM C CD B GLU A 1 234 ? 26.190 -61.754 -15.058 0.60 64.25 ? 244 GLU A CD 1 ? ? +2894 ATOM O OE1 A GLU A 1 234 ? 25.801 -60.606 -14.702 0.40 60.21 ? 244 GLU A OE1 1 ? ? +2895 ATOM O OE1 B GLU A 1 234 ? 25.743 -60.639 -14.705 0.60 64.17 ? 244 GLU A OE1 1 ? ? +2896 ATOM O OE2 A GLU A 1 234 ? 27.311 -61.844 -15.728 0.40 60.65 ? 244 GLU A OE2 1 ? ? +2897 ATOM O OE2 B GLU A 1 234 ? 27.224 -61.896 -15.751 0.60 64.64 ? 244 GLU A OE2 1 ? ? +2898 ATOM N N A THR A 1 235 ? 24.600 -60.728 -12.239 0.40 59.91 ? 245 THR A N 1 ? ? +2899 ATOM N N B THR A 1 235 ? 24.582 -60.761 -12.171 0.60 62.77 ? 245 THR A N 1 ? ? +2900 ATOM C CA A THR A 1 235 ? 23.590 -59.889 -11.616 0.40 59.75 ? 245 THR A CA 1 ? ? +2901 ATOM C CA B THR A 1 235 ? 23.559 -59.923 -11.565 0.60 62.60 ? 245 THR A CA 1 ? ? +2902 ATOM C C A THR A 1 235 ? 22.179 -60.251 -12.079 0.40 60.01 ? 245 THR A C 1 ? ? +2903 ATOM C C B THR A 1 235 ? 22.152 -60.238 -12.077 0.60 63.10 ? 245 THR A C 1 ? ? +2904 ATOM O O A THR A 1 235 ? 21.187 -59.779 -11.521 0.40 59.86 ? 245 THR A O 1 ? ? +2905 ATOM O O B THR A 1 235 ? 21.165 -59.670 -11.601 0.60 62.85 ? 245 THR A O 1 ? ? +2906 ATOM C CB A THR A 1 235 ? 23.910 -58.424 -11.890 0.40 58.89 ? 245 THR A CB 1 ? ? +2907 ATOM C CB B THR A 1 235 ? 23.925 -58.461 -11.794 0.60 61.49 ? 245 THR A CB 1 ? ? +2908 ATOM O OG1 A THR A 1 235 ? 23.309 -57.626 -10.872 0.40 58.55 ? 245 THR A OG1 1 ? ? +2909 ATOM O OG1 B THR A 1 235 ? 23.234 -57.661 -10.836 0.60 60.86 ? 245 THR A OG1 1 ? ? +2910 ATOM C CG2 A THR A 1 235 ? 23.453 -57.983 -13.269 0.40 58.30 ? 245 THR A CG2 1 ? ? +2911 ATOM C CG2 B THR A 1 235 ? 23.634 -57.999 -13.220 0.60 60.87 ? 245 THR A CG2 1 ? ? +2912 ATOM N N A TYR A 1 236 ? 22.103 -61.097 -13.110 0.40 60.33 ? 246 TYR A N 1 ? ? +2913 ATOM N N B TYR A 1 236 ? 22.074 -61.140 -13.062 0.60 63.64 ? 246 TYR A N 1 ? ? +2914 ATOM C CA A TYR A 1 236 ? 20.831 -61.623 -13.564 0.40 60.47 ? 246 TYR A CA 1 ? ? +2915 ATOM C CA B TYR A 1 236 ? 20.803 -61.636 -13.552 0.60 63.82 ? 246 TYR A CA 1 ? ? +2916 ATOM C C A TYR A 1 236 ? 20.925 -63.136 -13.720 0.40 60.83 ? 246 TYR A C 1 ? ? +2917 ATOM C C B TYR A 1 236 ? 20.874 -63.151 -13.714 0.60 64.12 ? 246 TYR A C 1 ? ? +2918 ATOM O O A TYR A 1 236 ? 22.006 -63.713 -13.620 0.40 61.18 ? 246 TYR A O 1 ? ? +2919 ATOM O O B TYR A 1 236 ? 21.953 -63.740 -13.673 0.60 64.43 ? 246 TYR A O 1 ? ? +2920 ATOM C CB A TYR A 1 236 ? 20.402 -60.966 -14.878 0.40 60.30 ? 246 TYR A CB 1 ? ? +2921 ATOM C CB B TYR A 1 236 ? 20.406 -60.956 -14.872 0.60 63.95 ? 246 TYR A CB 1 ? ? +2922 ATOM C CG A TYR A 1 236 ? 21.207 -61.407 -16.079 0.40 60.71 ? 246 TYR A CG 1 ? ? +2923 ATOM C CG B TYR A 1 236 ? 21.210 -61.391 -16.079 0.60 64.68 ? 246 TYR A CG 1 ? ? +2924 ATOM C CD1 A TYR A 1 236 ? 22.555 -61.099 -16.190 0.40 60.87 ? 246 TYR A CD1 1 ? ? +2925 ATOM C CD1 B TYR A 1 236 ? 22.542 -61.023 -16.224 0.60 64.99 ? 246 TYR A CD1 1 ? ? +2926 ATOM C CD2 A TYR A 1 236 ? 20.619 -62.134 -17.104 0.40 60.93 ? 246 TYR A CD2 1 ? ? +2927 ATOM C CD2 B TYR A 1 236 ? 20.633 -62.159 -17.083 0.60 65.07 ? 246 TYR A CD2 1 ? ? +2928 ATOM C CE1 A TYR A 1 236 ? 23.297 -61.498 -17.295 0.40 61.08 ? 246 TYR A CE1 1 ? ? +2929 ATOM C CE1 B TYR A 1 236 ? 23.279 -61.410 -17.339 0.60 65.44 ? 246 TYR A CE1 1 ? ? +2930 ATOM C CE2 A TYR A 1 236 ? 21.350 -62.543 -18.210 0.40 61.09 ? 246 TYR A CE2 1 ? ? +2931 ATOM C CE2 B TYR A 1 236 ? 21.361 -62.557 -18.197 0.60 65.37 ? 246 TYR A CE2 1 ? ? +2932 ATOM C CZ A TYR A 1 236 ? 22.689 -62.222 -18.305 0.40 61.25 ? 246 TYR A CZ 1 ? ? +2933 ATOM C CZ B TYR A 1 236 ? 22.684 -62.179 -18.324 0.60 65.77 ? 246 TYR A CZ 1 ? ? +2934 ATOM O OH A TYR A 1 236 ? 23.403 -62.625 -19.410 0.40 61.75 ? 246 TYR A OH 1 ? ? +2935 ATOM O OH B TYR A 1 236 ? 23.392 -62.570 -19.439 0.60 66.89 ? 246 TYR A OH 1 ? ? +2936 ATOM N N A ASN A 1 237 ? 19.768 -63.759 -13.964 0.40 60.73 ? 247 ASN A N 1 ? ? +2937 ATOM N N B ASN A 1 237 ? 19.697 -63.758 -13.890 0.60 63.98 ? 247 ASN A N 1 ? ? +2938 ATOM C CA A ASN A 1 237 ? 19.667 -65.203 -14.070 0.40 61.10 ? 247 ASN A CA 1 ? ? +2939 ATOM C CA B ASN A 1 237 ? 19.559 -65.198 -14.010 0.60 64.27 ? 247 ASN A CA 1 ? ? +2940 ATOM C C A ASN A 1 237 ? 19.374 -65.627 -15.507 0.40 60.79 ? 247 ASN A C 1 ? ? +2941 ATOM C C B ASN A 1 237 ? 19.310 -65.576 -15.469 0.60 64.04 ? 247 ASN A C 1 ? ? +2942 ATOM O O A ASN A 1 237 ? 18.223 -65.635 -15.940 0.40 60.70 ? 247 ASN A O 1 ? ? +2943 ATOM O O B ASN A 1 237 ? 18.184 -65.488 -15.958 0.60 63.95 ? 247 ASN A O 1 ? ? +2944 ATOM C CB A ASN A 1 237 ? 18.586 -65.694 -13.135 0.40 61.48 ? 247 ASN A CB 1 ? ? +2945 ATOM C CB B ASN A 1 237 ? 18.427 -65.662 -13.107 0.60 64.57 ? 247 ASN A CB 1 ? ? +2946 ATOM C CG A ASN A 1 237 ? 18.429 -67.174 -13.162 0.40 62.10 ? 247 ASN A CG 1 ? ? +2947 ATOM C CG B ASN A 1 237 ? 18.194 -67.138 -13.127 0.60 65.06 ? 247 ASN A CG 1 ? ? +2948 ATOM O OD1 A ASN A 1 237 ? 19.027 -67.866 -13.994 0.40 62.21 ? 247 ASN A OD1 1 ? ? +2949 ATOM O OD1 B ASN A 1 237 ? 18.736 -67.866 -13.966 0.60 65.11 ? 247 ASN A OD1 1 ? ? +2950 ATOM N ND2 A ASN A 1 237 ? 17.609 -67.681 -12.253 0.40 62.51 ? 247 ASN A ND2 1 ? ? +2951 ATOM N ND2 B ASN A 1 237 ? 17.358 -67.600 -12.203 0.60 65.34 ? 247 ASN A ND2 1 ? ? +2952 ATOM N N A ILE A 1 238 ? 20.432 -65.974 -16.246 0.40 60.62 ? 248 ILE A N 1 ? ? +2953 ATOM N N B ILE A 1 238 ? 20.377 -65.993 -16.161 0.60 63.98 ? 248 ILE A N 1 ? ? +2954 ATOM C CA A ILE A 1 238 ? 20.301 -66.247 -17.666 0.40 60.25 ? 248 ILE A CA 1 ? ? +2955 ATOM C CA B ILE A 1 238 ? 20.292 -66.267 -17.586 0.60 63.68 ? 248 ILE A CA 1 ? ? +2956 ATOM C C A ILE A 1 238 ? 19.355 -67.416 -17.920 0.40 60.55 ? 248 ILE A C 1 ? ? +2957 ATOM C C B ILE A 1 238 ? 19.376 -67.453 -17.877 0.60 64.07 ? 248 ILE A C 1 ? ? +2958 ATOM O O A ILE A 1 238 ? 18.712 -67.476 -18.965 0.40 60.37 ? 248 ILE A O 1 ? ? +2959 ATOM O O B ILE A 1 238 ? 18.760 -67.513 -18.937 0.60 63.94 ? 248 ILE A O 1 ? ? +2960 ATOM C CB A ILE A 1 238 ? 21.667 -66.509 -18.307 0.40 60.34 ? 248 ILE A CB 1 ? ? +2961 ATOM C CB B ILE A 1 238 ? 21.688 -66.481 -18.206 0.60 63.78 ? 248 ILE A CB 1 ? ? +2962 ATOM C CG1 A ILE A 1 238 ? 21.558 -66.485 -19.845 0.40 60.06 ? 248 ILE A CG1 1 ? ? +2963 ATOM C CG1 B ILE A 1 238 ? 21.602 -66.450 -19.754 0.60 63.62 ? 248 ILE A CG1 1 ? ? +2964 ATOM C CG2 A ILE A 1 238 ? 22.255 -67.809 -17.796 0.40 61.15 ? 248 ILE A CG2 1 ? ? +2965 ATOM C CG2 B ILE A 1 238 ? 22.337 -67.757 -17.693 0.60 64.63 ? 248 ILE A CG2 1 ? ? +2966 ATOM C CD1 A ILE A 1 238 ? 22.870 -66.402 -20.560 0.40 60.07 ? 248 ILE A CD1 1 ? ? +2967 ATOM C CD1 B ILE A 1 238 ? 22.894 -66.417 -20.460 0.60 63.74 ? 248 ILE A CD1 1 ? ? +2968 ATOM N N A VAL A 1 239 ? 19.279 -68.339 -16.956 0.40 61.05 ? 249 VAL A N 1 ? ? +2969 ATOM N N B VAL A 1 239 ? 19.293 -68.391 -16.928 0.60 64.67 ? 249 VAL A N 1 ? ? +2970 ATOM C CA A VAL A 1 239 ? 18.465 -69.532 -17.108 0.40 61.42 ? 249 VAL A CA 1 ? ? +2971 ATOM C CA B VAL A 1 239 ? 18.459 -69.570 -17.090 0.60 65.12 ? 249 VAL A CA 1 ? ? +2972 ATOM C C A VAL A 1 239 ? 16.985 -69.157 -17.152 0.40 61.06 ? 249 VAL A C 1 ? ? +2973 ATOM C C B VAL A 1 239 ? 16.986 -69.164 -17.137 0.60 64.70 ? 249 VAL A C 1 ? ? +2974 ATOM O O A VAL A 1 239 ? 16.211 -69.779 -17.873 0.40 61.21 ? 249 VAL A O 1 ? ? +2975 ATOM O O B VAL A 1 239 ? 16.215 -69.722 -17.912 0.60 64.82 ? 249 VAL A O 1 ? ? +2976 ATOM C CB A VAL A 1 239 ? 18.758 -70.562 -15.996 0.40 62.20 ? 249 VAL A CB 1 ? ? +2977 ATOM C CB B VAL A 1 239 ? 18.729 -70.617 -15.981 0.60 66.01 ? 249 VAL A CB 1 ? ? +2978 ATOM C CG1 A VAL A 1 239 ? 17.795 -71.739 -16.063 0.40 62.75 ? 249 VAL A CG1 1 ? ? +2979 ATOM C CG1 B VAL A 1 239 ? 17.822 -71.819 -16.140 0.60 66.68 ? 249 VAL A CG1 1 ? ? +2980 ATOM C CG2 A VAL A 1 239 ? 20.203 -71.041 -16.062 0.40 62.53 ? 249 VAL A CG2 1 ? ? +2981 ATOM C CG2 B VAL A 1 239 ? 20.190 -71.058 -15.960 0.60 66.44 ? 249 VAL A CG2 1 ? ? +2982 ATOM N N A ALA A 1 240 ? 16.609 -68.134 -16.377 0.40 60.61 ? 250 ALA A N 1 ? ? +2983 ATOM N N B ALA A 1 240 ? 16.609 -68.188 -16.303 0.60 64.28 ? 250 ALA A N 1 ? ? +2984 ATOM C CA A ALA A 1 240 ? 15.244 -67.635 -16.362 0.40 60.28 ? 250 ALA A CA 1 ? ? +2985 ATOM C CA B ALA A 1 240 ? 15.257 -67.647 -16.293 0.60 63.94 ? 250 ALA A CA 1 ? ? +2986 ATOM C C A ALA A 1 240 ? 14.929 -66.899 -17.661 0.40 59.47 ? 250 ALA A C 1 ? ? +2987 ATOM C C B ALA A 1 240 ? 14.940 -66.895 -17.584 0.60 62.99 ? 250 ALA A C 1 ? ? +2988 ATOM O O A ALA A 1 240 ? 13.829 -67.022 -18.196 0.40 59.45 ? 250 ALA A O 1 ? ? +2989 ATOM O O B ALA A 1 240 ? 13.820 -66.974 -18.087 0.60 62.93 ? 250 ALA A O 1 ? ? +2990 ATOM C CB A ALA A 1 240 ? 15.020 -66.719 -15.168 0.40 60.12 ? 250 ALA A CB 1 ? ? +2991 ATOM C CB B ALA A 1 240 ? 15.058 -66.729 -15.094 0.60 63.80 ? 250 ALA A CB 1 ? ? +2992 ATOM N N A ALA A 1 241 ? 15.912 -66.138 -18.154 0.40 58.77 ? 251 ALA A N 1 ? ? +2993 ATOM N N B ALA A 1 241 ? 15.936 -66.165 -18.103 0.60 62.06 ? 251 ALA A N 1 ? ? +2994 ATOM C CA A ALA A 1 241 ? 15.778 -65.425 -19.413 0.40 57.97 ? 251 ALA A CA 1 ? ? +2995 ATOM C CA B ALA A 1 241 ? 15.790 -65.439 -19.354 0.60 61.11 ? 251 ALA A CA 1 ? ? +2996 ATOM C C A ALA A 1 241 ? 15.583 -66.411 -20.560 0.40 57.97 ? 251 ALA A C 1 ? ? +2997 ATOM C C B ALA A 1 241 ? 15.598 -66.403 -20.520 0.60 60.88 ? 251 ALA A C 1 ? ? +2998 ATOM O O A ALA A 1 241 ? 14.726 -66.220 -21.416 0.40 57.73 ? 251 ALA A O 1 ? ? +2999 ATOM O O B ALA A 1 241 ? 14.744 -66.188 -21.372 0.60 60.61 ? 251 ALA A O 1 ? ? +3000 ATOM C CB A ALA A 1 241 ? 17.006 -64.564 -19.665 0.40 57.59 ? 251 ALA A CB 1 ? ? +3001 ATOM C CB B ALA A 1 241 ? 17.006 -64.559 -19.603 0.60 60.81 ? 251 ALA A CB 1 ? ? +3002 ATOM N N A HIS A 1 242 ? 16.409 -67.461 -20.567 0.40 58.25 ? 252 HIS A N 1 ? ? +3003 ATOM N N B HIS A 1 242 ? 16.422 -67.455 -20.553 0.60 61.04 ? 252 HIS A N 1 ? ? +3004 ATOM C CA A HIS A 1 242 ? 16.329 -68.513 -21.563 0.40 58.35 ? 252 HIS A CA 1 ? ? +3005 ATOM C CA B HIS A 1 242 ? 16.321 -68.505 -21.551 0.60 61.02 ? 252 HIS A CA 1 ? ? +3006 ATOM C C A HIS A 1 242 ? 14.997 -69.253 -21.466 0.40 58.67 ? 252 HIS A C 1 ? ? +3007 ATOM C C B HIS A 1 242 ? 14.979 -69.225 -21.447 0.60 61.32 ? 252 HIS A C 1 ? ? +3008 ATOM O O A HIS A 1 242 ? 14.435 -69.672 -22.475 0.40 58.70 ? 252 HIS A O 1 ? ? +3009 ATOM O O B HIS A 1 242 ? 14.377 -69.570 -22.459 0.60 61.41 ? 252 HIS A O 1 ? ? +3010 ATOM C CB A HIS A 1 242 ? 17.498 -69.480 -21.374 0.40 58.79 ? 252 HIS A CB 1 ? ? +3011 ATOM C CB B HIS A 1 242 ? 17.479 -69.495 -21.378 0.60 61.39 ? 252 HIS A CB 1 ? ? +3012 ATOM C CG A HIS A 1 242 ? 17.498 -70.657 -22.301 0.40 59.20 ? 252 HIS A CG 1 ? ? +3013 ATOM C CG B HIS A 1 242 ? 17.432 -70.684 -22.290 0.60 61.83 ? 252 HIS A CG 1 ? ? +3014 ATOM N ND1 A HIS A 1 242 ? 17.500 -70.496 -23.674 0.40 58.86 ? 252 HIS A ND1 1 ? ? +3015 ATOM N ND1 B HIS A 1 242 ? 17.536 -70.545 -23.661 0.60 61.56 ? 252 HIS A ND1 1 ? ? +3016 ATOM C CD2 A HIS A 1 242 ? 17.508 -71.977 -22.019 0.40 59.91 ? 252 HIS A CD2 1 ? ? +3017 ATOM C CD2 B HIS A 1 242 ? 17.304 -71.996 -21.994 0.60 62.52 ? 252 HIS A CD2 1 ? ? +3018 ATOM C CE1 A HIS A 1 242 ? 17.515 -71.719 -24.186 0.40 59.33 ? 252 HIS A CE1 1 ? ? +3019 ATOM C CE1 B HIS A 1 242 ? 17.472 -71.770 -24.159 0.60 61.98 ? 252 HIS A CE1 1 ? ? +3020 ATOM N NE2 A HIS A 1 242 ? 17.520 -72.642 -23.220 0.40 59.99 ? 252 HIS A NE2 1 ? ? +3021 ATOM N NE2 B HIS A 1 242 ? 17.327 -72.677 -23.186 0.60 62.64 ? 252 HIS A NE2 1 ? ? +3022 ATOM N N A GLY A 1 243 ? 14.507 -69.410 -20.232 0.40 58.88 ? 253 GLY A N 1 ? ? +3023 ATOM N N B GLY A 1 243 ? 14.529 -69.451 -20.208 0.60 61.50 ? 253 GLY A N 1 ? ? +3024 ATOM C CA A GLY A 1 243 ? 13.247 -70.086 -19.980 0.40 59.21 ? 253 GLY A CA 1 ? ? +3025 ATOM C CA B GLY A 1 243 ? 13.248 -70.085 -19.956 0.60 61.74 ? 253 GLY A CA 1 ? ? +3026 ATOM C C A GLY A 1 243 ? 12.064 -69.279 -20.507 0.40 58.68 ? 253 GLY A C 1 ? ? +3027 ATOM C C B GLY A 1 243 ? 12.086 -69.266 -20.512 0.60 61.10 ? 253 GLY A C 1 ? ? +3028 ATOM O O A GLY A 1 243 ? 11.070 -69.846 -20.956 0.40 59.00 ? 253 GLY A O 1 ? ? +3029 ATOM O O B GLY A 1 243 ? 11.100 -69.827 -20.988 0.60 61.46 ? 253 GLY A O 1 ? ? +3030 ATOM N N A TYR A 1 244 ? 12.193 -67.949 -20.431 0.40 57.80 ? 254 TYR A N 1 ? ? +3031 ATOM N N B TYR A 1 244 ? 12.220 -67.936 -20.440 0.60 59.98 ? 254 TYR A N 1 ? ? +3032 ATOM C CA A TYR A 1 244 ? 11.203 -67.037 -20.976 0.40 57.13 ? 254 TYR A CA 1 ? ? +3033 ATOM C CA B TYR A 1 244 ? 11.226 -67.031 -20.987 0.60 59.12 ? 254 TYR A CA 1 ? ? +3034 ATOM C C A TYR A 1 244 ? 11.252 -67.033 -22.501 0.40 56.83 ? 254 TYR A C 1 ? ? +3035 ATOM C C B TYR A 1 244 ? 11.268 -67.044 -22.513 0.60 58.95 ? 254 TYR A C 1 ? ? +3036 ATOM O O A TYR A 1 244 ? 10.276 -67.375 -23.166 0.40 56.92 ? 254 TYR A O 1 ? ? +3037 ATOM O O B TYR A 1 244 ? 10.270 -67.340 -23.170 0.60 58.97 ? 254 TYR A O 1 ? ? +3038 ATOM C CB A TYR A 1 244 ? 11.437 -65.608 -20.460 0.40 56.42 ? 254 TYR A CB 1 ? ? +3039 ATOM C CB B TYR A 1 244 ? 11.449 -65.598 -20.469 0.60 58.19 ? 254 TYR A CB 1 ? ? +3040 ATOM C CG A TYR A 1 244 ? 10.650 -64.568 -21.228 0.40 55.73 ? 254 TYR A CG 1 ? ? +3041 ATOM C CG B TYR A 1 244 ? 10.635 -64.565 -21.218 0.60 57.31 ? 254 TYR A CG 1 ? ? +3042 ATOM C CD1 A TYR A 1 244 ? 9.289 -64.394 -21.010 0.40 55.70 ? 254 TYR A CD1 1 ? ? +3043 ATOM C CD1 B TYR A 1 244 ? 9.267 -64.435 -21.001 0.60 57.11 ? 254 TYR A CD1 1 ? ? +3044 ATOM C CD2 A TYR A 1 244 ? 11.256 -63.788 -22.204 0.40 55.05 ? 254 TYR A CD2 1 ? ? +3045 ATOM C CD2 B TYR A 1 244 ? 11.222 -63.748 -22.176 0.60 56.46 ? 254 TYR A CD2 1 ? ? +3046 ATOM C CE1 A TYR A 1 244 ? 8.558 -63.453 -21.722 0.40 55.12 ? 254 TYR A CE1 1 ? ? +3047 ATOM C CE1 B TYR A 1 244 ? 8.511 -63.501 -21.698 0.60 56.42 ? 254 TYR A CE1 1 ? ? +3048 ATOM C CE2 A TYR A 1 244 ? 10.533 -62.848 -22.928 0.40 54.52 ? 254 TYR A CE2 1 ? ? +3049 ATOM C CE2 B TYR A 1 244 ? 10.473 -62.817 -22.887 0.60 55.87 ? 254 TYR A CE2 1 ? ? +3050 ATOM C CZ A TYR A 1 244 ? 9.180 -62.686 -22.685 0.40 54.56 ? 254 TYR A CZ 1 ? ? +3051 ATOM C CZ B TYR A 1 244 ? 9.113 -62.699 -22.646 0.60 55.83 ? 254 TYR A CZ 1 ? ? +3052 ATOM O OH A TYR A 1 244 ? 8.451 -61.758 -23.388 0.40 54.00 ? 254 TYR A OH 1 ? ? +3053 ATOM O OH B TYR A 1 244 ? 8.369 -61.778 -23.337 0.60 55.12 ? 254 TYR A OH 1 ? ? +3054 ATOM N N A PHE A 1 245 ? 12.407 -66.633 -23.039 0.40 56.46 ? 255 PHE A N 1 ? ? +3055 ATOM N N B PHE A 1 245 ? 12.442 -66.718 -23.062 0.60 58.75 ? 255 PHE A N 1 ? ? +3056 ATOM C CA A PHE A 1 245 ? 12.557 -66.423 -24.469 0.40 56.10 ? 255 PHE A CA 1 ? ? +3057 ATOM C CA B PHE A 1 245 ? 12.597 -66.504 -24.492 0.60 58.51 ? 255 PHE A CA 1 ? ? +3058 ATOM C C A PHE A 1 245 ? 12.348 -67.717 -25.247 0.40 56.50 ? 255 PHE A C 1 ? ? +3059 ATOM C C B PHE A 1 245 ? 12.413 -67.786 -25.298 0.60 58.86 ? 255 PHE A C 1 ? ? +3060 ATOM O O A PHE A 1 245 ? 11.829 -67.699 -26.360 0.40 56.28 ? 255 PHE A O 1 ? ? +3061 ATOM O O B PHE A 1 245 ? 11.920 -67.748 -26.421 0.60 58.54 ? 255 PHE A O 1 ? ? +3062 ATOM C CB A PHE A 1 245 ? 13.946 -65.842 -24.794 0.40 55.73 ? 255 PHE A CB 1 ? ? +3063 ATOM C CB B PHE A 1 245 ? 13.982 -65.899 -24.814 0.60 58.22 ? 255 PHE A CB 1 ? ? +3064 ATOM C CG A PHE A 1 245 ? 14.087 -65.430 -26.238 0.40 55.33 ? 255 PHE A CG 1 ? ? +3065 ATOM C CG B PHE A 1 245 ? 14.123 -65.514 -26.265 0.60 57.98 ? 255 PHE A CG 1 ? ? +3066 ATOM C CD1 A PHE A 1 245 ? 13.362 -64.372 -26.745 0.40 54.86 ? 255 PHE A CD1 1 ? ? +3067 ATOM C CD1 B PHE A 1 245 ? 13.203 -64.680 -26.869 0.60 57.67 ? 255 PHE A CD1 1 ? ? +3068 ATOM C CD2 A PHE A 1 245 ? 14.922 -66.121 -27.093 0.40 55.58 ? 255 PHE A CD2 1 ? ? +3069 ATOM C CD2 B PHE A 1 245 ? 15.159 -66.008 -27.034 0.60 58.36 ? 255 PHE A CD2 1 ? ? +3070 ATOM C CE1 A PHE A 1 245 ? 13.480 -64.007 -28.078 0.40 54.55 ? 255 PHE A CE1 1 ? ? +3071 ATOM C CE1 B PHE A 1 245 ? 13.317 -64.348 -28.213 0.60 57.34 ? 255 PHE A CE1 1 ? ? +3072 ATOM C CE2 A PHE A 1 245 ? 15.041 -65.748 -28.425 0.40 55.21 ? 255 PHE A CE2 1 ? ? +3073 ATOM C CE2 B PHE A 1 245 ? 15.278 -65.661 -28.377 0.60 57.95 ? 255 PHE A CE2 1 ? ? +3074 ATOM C CZ A PHE A 1 245 ? 14.319 -64.697 -28.908 0.40 54.70 ? 255 PHE A CZ 1 ? ? +3075 ATOM C CZ B PHE A 1 245 ? 14.357 -64.834 -28.956 0.60 57.46 ? 255 PHE A CZ 1 ? ? +3076 ATOM N N A GLY A 1 246 ? 12.785 -68.831 -24.655 0.40 57.10 ? 256 GLY A N 1 ? ? +3077 ATOM N N B GLY A 1 246 ? 12.844 -68.910 -24.724 0.60 59.52 ? 256 GLY A N 1 ? ? +3078 ATOM C CA A GLY A 1 246 ? 12.621 -70.138 -25.264 0.40 57.63 ? 256 GLY A CA 1 ? ? +3079 ATOM C CA B GLY A 1 246 ? 12.622 -70.211 -25.328 0.60 60.10 ? 256 GLY A CA 1 ? ? +3080 ATOM C C A GLY A 1 246 ? 11.154 -70.469 -25.524 0.40 57.80 ? 256 GLY A C 1 ? ? +3081 ATOM C C B GLY A 1 246 ? 11.141 -70.517 -25.543 0.60 60.14 ? 256 GLY A C 1 ? ? +3082 ATOM O O A GLY A 1 246 ? 10.819 -71.050 -26.553 0.40 57.92 ? 256 GLY A O 1 ? ? +3083 ATOM O O B GLY A 1 246 ? 10.770 -71.054 -26.579 0.60 60.25 ? 256 GLY A O 1 ? ? +3084 ATOM N N A ARG A 1 247 ? 10.287 -70.089 -24.581 0.40 57.81 ? 257 ARG A N 1 ? ? +3085 ATOM N N B ARG A 1 247 ? 10.298 -70.167 -24.564 0.60 60.01 ? 257 ARG A N 1 ? ? +3086 ATOM C CA A ARG A 1 247 ? 8.870 -70.390 -24.687 0.40 58.09 ? 257 ARG A CA 1 ? ? +3087 ATOM C CA B ARG A 1 247 ? 8.871 -70.428 -24.669 0.60 60.16 ? 257 ARG A CA 1 ? ? +3088 ATOM C C A ARG A 1 247 ? 8.182 -69.370 -25.586 0.40 57.56 ? 257 ARG A C 1 ? ? +3089 ATOM C C B ARG A 1 247 ? 8.187 -69.397 -25.559 0.60 59.57 ? 257 ARG A C 1 ? ? +3090 ATOM O O A ARG A 1 247 ? 7.185 -69.683 -26.229 0.40 57.79 ? 257 ARG A O 1 ? ? +3091 ATOM O O B ARG A 1 247 ? 7.152 -69.690 -26.149 0.60 59.86 ? 257 ARG A O 1 ? ? +3092 ATOM C CB A ARG A 1 247 ? 8.214 -70.435 -23.303 0.40 58.39 ? 257 ARG A CB 1 ? ? +3093 ATOM C CB B ARG A 1 247 ? 8.211 -70.469 -23.285 0.60 60.43 ? 257 ARG A CB 1 ? ? +3094 ATOM C CG A ARG A 1 247 ? 8.651 -71.642 -22.490 0.40 59.11 ? 257 ARG A CG 1 ? ? +3095 ATOM C CG B ARG A 1 247 ? 8.654 -71.667 -22.466 0.60 61.15 ? 257 ARG A CG 1 ? ? +3096 ATOM C CD A ARG A 1 247 ? 8.022 -71.676 -21.121 0.40 59.51 ? 257 ARG A CD 1 ? ? +3097 ATOM C CD B ARG A 1 247 ? 7.959 -71.751 -21.136 0.60 61.61 ? 257 ARG A CD 1 ? ? +3098 ATOM N NE A ARG A 1 247 ? 8.315 -72.922 -20.423 0.40 60.33 ? 257 ARG A NE 1 ? ? +3099 ATOM N NE B ARG A 1 247 ? 8.307 -72.975 -20.424 0.60 62.44 ? 257 ARG A NE 1 ? ? +3100 ATOM C CZ A ARG A 1 247 ? 9.468 -73.195 -19.829 0.40 60.61 ? 257 ARG A CZ 1 ? ? +3101 ATOM C CZ B ARG A 1 247 ? 9.477 -73.204 -19.842 0.60 62.81 ? 257 ARG A CZ 1 ? ? +3102 ATOM N NH1 A ARG A 1 247 ? 10.396 -72.267 -19.662 0.40 60.15 ? 257 ARG A NH1 1 ? ? +3103 ATOM N NH1 B ARG A 1 247 ? 10.381 -72.246 -19.700 0.60 62.50 ? 257 ARG A NH1 1 ? ? +3104 ATOM N NH2 A ARG A 1 247 ? 9.691 -74.426 -19.377 0.40 61.39 ? 257 ARG A NH2 1 ? ? +3105 ATOM N NH2 B ARG A 1 247 ? 9.748 -74.424 -19.386 0.60 63.55 ? 257 ARG A NH2 1 ? ? +3106 ATOM N N A LEU A 1 248 ? 8.737 -68.157 -25.638 0.40 56.95 ? 258 LEU A N 1 ? ? +3107 ATOM N N B LEU A 1 248 ? 8.775 -68.200 -25.659 0.60 58.91 ? 258 LEU A N 1 ? ? +3108 ATOM C CA A LEU A 1 248 ? 8.195 -67.113 -26.490 0.40 56.50 ? 258 LEU A CA 1 ? ? +3109 ATOM C CA B LEU A 1 248 ? 8.222 -67.150 -26.498 0.60 58.48 ? 258 LEU A CA 1 ? ? +3110 ATOM C C A LEU A 1 248 ? 8.229 -67.596 -27.935 0.40 56.70 ? 258 LEU A C 1 ? ? +3111 ATOM C C B LEU A 1 248 ? 8.264 -67.568 -27.964 0.60 58.86 ? 258 LEU A C 1 ? ? +3112 ATOM O O A LEU A 1 248 ? 7.238 -67.496 -28.654 0.40 56.61 ? 258 LEU A O 1 ? ? +3113 ATOM O O B LEU A 1 248 ? 7.317 -67.321 -28.707 0.60 58.64 ? 258 LEU A O 1 ? ? +3114 ATOM C CB A LEU A 1 248 ? 8.983 -65.813 -26.328 0.40 55.79 ? 258 LEU A CB 1 ? ? +3115 ATOM C CB B LEU A 1 248 ? 8.976 -65.834 -26.292 0.60 57.71 ? 258 LEU A CB 1 ? ? +3116 ATOM C CG A LEU A 1 248 ? 8.518 -64.655 -27.193 0.40 55.18 ? 258 LEU A CG 1 ? ? +3117 ATOM C CG B LEU A 1 248 ? 8.530 -64.664 -27.165 0.60 57.01 ? 258 LEU A CG 1 ? ? +3118 ATOM C CD1 A LEU A 1 248 ? 7.075 -64.280 -26.872 0.40 55.24 ? 258 LEU A CD1 1 ? ? +3119 ATOM C CD1 B LEU A 1 248 ? 7.085 -64.259 -26.866 0.60 57.03 ? 258 LEU A CD1 1 ? ? +3120 ATOM C CD2 A LEU A 1 248 ? 9.433 -63.457 -27.025 0.40 54.53 ? 258 LEU A CD2 1 ? ? +3121 ATOM C CD2 B LEU A 1 248 ? 9.450 -63.477 -26.980 0.60 56.29 ? 258 LEU A CD2 1 ? ? +3122 ATOM N N A ILE A 1 249 ? 9.385 -68.126 -28.343 0.40 57.08 ? 259 ILE A N 1 ? ? +3123 ATOM N N B ILE A 1 249 ? 9.375 -68.195 -28.368 0.60 59.60 ? 259 ILE A N 1 ? ? +3124 ATOM C CA A ILE A 1 249 ? 9.525 -68.731 -29.654 0.40 57.43 ? 259 ILE A CA 1 ? ? +3125 ATOM C CA B ILE A 1 249 ? 9.513 -68.726 -29.714 0.60 60.17 ? 259 ILE A CA 1 ? ? +3126 ATOM C C A ILE A 1 249 ? 9.444 -70.245 -29.485 0.40 58.54 ? 259 ILE A C 1 ? ? +3127 ATOM C C B ILE A 1 249 ? 9.417 -70.250 -29.649 0.60 61.67 ? 259 ILE A C 1 ? ? +3128 ATOM O O A ILE A 1 249 ? 8.362 -70.810 -29.331 0.40 59.02 ? 259 ILE A O 1 ? ? +3129 ATOM O O B ILE A 1 249 ? 8.326 -70.817 -29.706 0.60 62.20 ? 259 ILE A O 1 ? ? +3130 ATOM C CB A ILE A 1 249 ? 10.835 -68.275 -30.320 0.40 56.92 ? 259 ILE A CB 1 ? ? +3131 ATOM C CB B ILE A 1 249 ? 10.821 -68.220 -30.369 0.60 59.54 ? 259 ILE A CB 1 ? ? +3132 ATOM C CG1 A ILE A 1 249 ? 11.074 -66.783 -30.102 0.40 56.23 ? 259 ILE A CG1 1 ? ? +3133 ATOM C CG1 B ILE A 1 249 ? 11.038 -66.722 -30.148 0.60 58.83 ? 259 ILE A CG1 1 ? ? +3134 ATOM C CG2 A ILE A 1 249 ? 10.852 -68.629 -31.803 0.40 56.93 ? 259 ILE A CG2 1 ? ? +3135 ATOM C CG2 B ILE A 1 249 ? 10.851 -68.577 -31.858 0.60 59.59 ? 259 ILE A CG2 1 ? ? +3136 ATOM C CD1 A ILE A 1 249 ? 10.108 -65.898 -30.840 0.40 55.87 ? 259 ILE A CD1 1 ? ? +3137 ATOM C CD1 B ILE A 1 249 ? 9.993 -65.836 -30.776 0.60 58.53 ? 259 ILE A CD1 1 ? ? +3138 ATOM N N A PHE A 1 250 ? 10.610 -70.891 -29.511 0.40 59.11 ? 260 PHE A N 1 ? ? +3139 ATOM N N B PHE A 1 250 ? 10.577 -70.905 -29.550 0.60 62.72 ? 260 PHE A N 1 ? ? +3140 ATOM C CA A PHE A 1 250 ? 10.725 -72.280 -29.105 0.40 60.22 ? 260 PHE A CA 1 ? ? +3141 ATOM C CA B PHE A 1 250 ? 10.665 -72.309 -29.196 0.60 64.33 ? 260 PHE A CA 1 ? ? +3142 ATOM C C A PHE A 1 250 ? 12.147 -72.508 -28.603 0.40 60.53 ? 260 PHE A C 1 ? ? +3143 ATOM C C B PHE A 1 250 ? 12.073 -72.503 -28.639 0.60 64.77 ? 260 PHE A C 1 ? ? +3144 ATOM O O A PHE A 1 250 ? 13.065 -71.773 -28.964 0.40 60.07 ? 260 PHE A O 1 ? ? +3145 ATOM O O B PHE A 1 250 ? 12.965 -71.706 -28.918 0.60 64.26 ? 260 PHE A O 1 ? ? +3146 ATOM C CB A PHE A 1 250 ? 10.314 -73.239 -30.240 0.40 60.72 ? 260 PHE A CB 1 ? ? +3147 ATOM C CB B PHE A 1 250 ? 10.331 -73.230 -30.384 0.60 65.22 ? 260 PHE A CB 1 ? ? +3148 ATOM C CG A PHE A 1 250 ? 11.070 -73.085 -31.535 0.40 60.54 ? 260 PHE A CG 1 ? ? +3149 ATOM C CG B PHE A 1 250 ? 11.090 -72.937 -31.652 0.60 65.44 ? 260 PHE A CG 1 ? ? +3150 ATOM C CD1 A PHE A 1 250 ? 12.372 -73.540 -31.656 0.40 60.72 ? 260 PHE A CD1 1 ? ? +3151 ATOM C CD1 B PHE A 1 250 ? 12.397 -73.368 -31.814 0.60 65.84 ? 260 PHE A CD1 1 ? ? +3152 ATOM C CD2 A PHE A 1 250 ? 10.476 -72.494 -32.635 0.40 60.22 ? 260 PHE A CD2 1 ? ? +3153 ATOM C CD2 B PHE A 1 250 ? 10.503 -72.219 -32.679 0.60 65.39 ? 260 PHE A CD2 1 ? ? +3154 ATOM C CE1 A PHE A 1 250 ? 13.064 -73.401 -32.853 0.40 60.49 ? 260 PHE A CE1 1 ? ? +3155 ATOM C CE1 B PHE A 1 250 ? 13.099 -73.092 -32.985 0.60 65.70 ? 260 PHE A CE1 1 ? ? +3156 ATOM C CE2 A PHE A 1 250 ? 11.172 -72.354 -33.827 0.40 60.04 ? 260 PHE A CE2 1 ? ? +3157 ATOM C CE2 B PHE A 1 250 ? 11.209 -71.940 -33.845 0.60 65.45 ? 260 PHE A CE2 1 ? ? +3158 ATOM C CZ A PHE A 1 250 ? 12.462 -72.808 -33.929 0.40 60.14 ? 260 PHE A CZ 1 ? ? +3159 ATOM C CZ B PHE A 1 250 ? 12.502 -72.380 -33.992 0.60 65.43 ? 260 PHE A CZ 1 ? ? +3160 ATOM N N A GLN A 1 251 ? 12.299 -73.526 -27.754 0.40 61.59 ? 261 GLN A N 1 ? ? +3161 ATOM N N B GLN A 1 251 ? 12.247 -73.552 -27.830 0.60 66.23 ? 261 GLN A N 1 ? ? +3162 ATOM C CA A GLN A 1 251 ? 13.490 -73.711 -26.940 0.40 62.17 ? 261 GLN A CA 1 ? ? +3163 ATOM C CA B GLN A 1 251 ? 13.420 -73.705 -26.983 0.60 67.28 ? 261 GLN A CA 1 ? ? +3164 ATOM C C A GLN A 1 251 ? 14.804 -73.509 -27.692 0.40 62.20 ? 261 GLN A C 1 ? ? +3165 ATOM C C B GLN A 1 251 ? 14.751 -73.500 -27.710 0.60 67.63 ? 261 GLN A C 1 ? ? +3166 ATOM O O A GLN A 1 251 ? 15.737 -72.901 -27.173 0.40 61.80 ? 261 GLN A O 1 ? ? +3167 ATOM O O B GLN A 1 251 ? 15.657 -72.866 -27.178 0.60 66.97 ? 261 GLN A O 1 ? ? +3168 ATOM C CB A GLN A 1 251 ? 13.455 -75.118 -26.335 0.40 63.15 ? 261 GLN A CB 1 ? ? +3169 ATOM C CB B GLN A 1 251 ? 13.396 -75.105 -26.355 0.60 68.40 ? 261 GLN A CB 1 ? ? +3170 ATOM C CG A GLN A 1 251 ? 14.668 -75.445 -25.488 0.40 63.59 ? 261 GLN A CG 1 ? ? +3171 ATOM C CG B GLN A 1 251 ? 14.492 -75.351 -25.343 0.60 69.12 ? 261 GLN A CG 1 ? ? +3172 ATOM C CD A GLN A 1 251 ? 14.574 -76.826 -24.891 0.40 64.60 ? 261 GLN A CD 1 ? ? +3173 ATOM C CD B GLN A 1 251 ? 14.493 -76.766 -24.826 0.60 70.31 ? 261 GLN A CD 1 ? ? +3174 ATOM O OE1 A GLN A 1 251 ? 13.646 -77.593 -25.174 0.40 65.07 ? 261 GLN A OE1 1 ? ? +3175 ATOM O OE1 B GLN A 1 251 ? 13.626 -77.599 -25.132 0.60 70.85 ? 261 GLN A OE1 1 ? ? +3176 ATOM N NE2 A GLN A 1 251 ? 15.539 -77.174 -24.051 0.40 64.99 ? 261 GLN A NE2 1 ? ? +3177 ATOM N NE2 B GLN A 1 251 ? 15.480 -77.070 -24.005 0.60 70.78 ? 261 GLN A NE2 1 ? ? +3178 ATOM N N A TYR A 1 252 ? 14.863 -74.018 -28.926 0.40 62.68 ? 262 TYR A N 1 ? ? +3179 ATOM N N B TYR A 1 252 ? 14.854 -74.035 -28.931 0.60 68.63 ? 262 TYR A N 1 ? ? +3180 ATOM C CA A TYR A 1 252 ? 16.108 -74.089 -29.671 0.40 62.80 ? 262 TYR A CA 1 ? ? +3181 ATOM C CA B TYR A 1 252 ? 16.118 -74.100 -29.646 0.60 69.04 ? 262 TYR A CA 1 ? ? +3182 ATOM C C A TYR A 1 252 ? 16.371 -72.843 -30.511 0.40 62.06 ? 262 TYR A C 1 ? ? +3183 ATOM C C B TYR A 1 252 ? 16.403 -72.865 -30.497 0.60 68.18 ? 262 TYR A C 1 ? ? +3184 ATOM O O A TYR A 1 252 ? 17.338 -72.797 -31.266 0.40 62.09 ? 262 TYR A O 1 ? ? +3185 ATOM O O B TYR A 1 252 ? 17.390 -72.835 -31.228 0.60 68.47 ? 262 TYR A O 1 ? ? +3186 ATOM C CB A TYR A 1 252 ? 16.087 -75.331 -30.564 0.40 63.59 ? 262 TYR A CB 1 ? ? +3187 ATOM C CB B TYR A 1 252 ? 16.130 -75.361 -30.518 0.60 70.34 ? 262 TYR A CB 1 ? ? +3188 ATOM C CG A TYR A 1 252 ? 15.840 -76.603 -29.788 0.40 64.72 ? 262 TYR A CG 1 ? ? +3189 ATOM C CG B TYR A 1 252 ? 15.858 -76.615 -29.721 0.60 72.15 ? 262 TYR A CG 1 ? ? +3190 ATOM C CD1 A TYR A 1 252 ? 16.820 -77.140 -28.966 0.40 65.27 ? 262 TYR A CD1 1 ? ? +3191 ATOM C CD1 B TYR A 1 252 ? 16.852 -77.201 -28.947 0.60 73.00 ? 262 TYR A CD1 1 ? ? +3192 ATOM C CD2 A TYR A 1 252 ? 14.615 -77.256 -29.854 0.40 65.44 ? 262 TYR A CD2 1 ? ? +3193 ATOM C CD2 B TYR A 1 252 ? 14.593 -77.190 -29.702 0.60 73.57 ? 262 TYR A CD2 1 ? ? +3194 ATOM C CE1 A TYR A 1 252 ? 16.597 -78.306 -28.244 0.40 66.25 ? 262 TYR A CE1 1 ? ? +3195 ATOM C CE1 B TYR A 1 252 ? 16.604 -78.348 -28.200 0.60 74.46 ? 262 TYR A CE1 1 ? ? +3196 ATOM C CE2 A TYR A 1 252 ? 14.378 -78.420 -29.134 0.40 66.31 ? 262 TYR A CE2 1 ? ? +3197 ATOM C CE2 B TYR A 1 252 ? 14.331 -78.339 -28.963 0.60 74.72 ? 262 TYR A CE2 1 ? ? +3198 ATOM C CZ A TYR A 1 252 ? 15.373 -78.944 -28.329 0.40 66.81 ? 262 TYR A CZ 1 ? ? +3199 ATOM C CZ B TYR A 1 252 ? 15.338 -78.910 -28.203 0.60 75.44 ? 262 TYR A CZ 1 ? ? +3200 ATOM O OH A TYR A 1 252 ? 15.147 -80.096 -27.611 0.40 67.78 ? 262 TYR A OH 1 ? ? +3201 ATOM O OH B TYR A 1 252 ? 15.082 -80.046 -27.467 0.60 76.74 ? 262 TYR A OH 1 ? ? +3202 ATOM N N A ALA A 1 253 ? 15.498 -71.840 -30.379 0.40 61.54 ? 263 ALA A N 1 ? ? +3203 ATOM N N B ALA A 1 253 ? 15.532 -71.853 -30.400 0.60 67.47 ? 263 ALA A N 1 ? ? +3204 ATOM C CA A ALA A 1 253 ? 15.706 -70.555 -31.026 0.40 60.76 ? 263 ALA A CA 1 ? ? +3205 ATOM C CA B ALA A 1 253 ? 15.778 -70.557 -31.010 0.60 66.56 ? 263 ALA A CA 1 ? ? +3206 ATOM C C A ALA A 1 253 ? 16.391 -69.598 -30.054 0.40 60.32 ? 263 ALA A C 1 ? ? +3207 ATOM C C B ALA A 1 253 ? 16.441 -69.610 -30.010 0.60 65.97 ? 263 ALA A C 1 ? ? +3208 ATOM O O A ALA A 1 253 ? 16.685 -68.455 -30.394 0.40 59.77 ? 263 ALA A O 1 ? ? +3209 ATOM O O B ALA A 1 253 ? 16.785 -68.480 -30.350 0.60 65.46 ? 263 ALA A O 1 ? ? +3210 ATOM C CB A ALA A 1 253 ? 14.377 -69.974 -31.497 0.40 60.50 ? 263 ALA A CB 1 ? ? +3211 ATOM C CB B ALA A 1 253 ? 14.469 -69.963 -31.514 0.60 66.33 ? 263 ALA A CB 1 ? ? +3212 ATOM N N A SER A 1 254 ? 16.635 -70.088 -28.835 0.40 60.62 ? 264 SER A N 1 ? ? +3213 ATOM N N B SER A 1 254 ? 16.610 -70.088 -28.771 0.60 66.20 ? 264 SER A N 1 ? ? +3214 ATOM C CA A SER A 1 254 ? 17.134 -69.256 -27.752 0.40 60.32 ? 264 SER A CA 1 ? ? +3215 ATOM C CA B SER A 1 254 ? 17.071 -69.270 -27.661 0.60 65.86 ? 264 SER A CA 1 ? ? +3216 ATOM C C A SER A 1 254 ? 18.562 -69.623 -27.357 0.40 60.38 ? 264 SER A C 1 ? ? +3217 ATOM C C B SER A 1 254 ? 18.490 -69.660 -27.249 0.60 65.74 ? 264 SER A C 1 ? ? +3218 ATOM O O A SER A 1 254 ? 18.991 -70.763 -27.516 0.40 60.68 ? 264 SER A O 1 ? ? +3219 ATOM O O B SER A 1 254 ? 18.814 -70.840 -27.146 0.60 65.75 ? 264 SER A O 1 ? ? +3220 ATOM C CB A SER A 1 254 ? 16.213 -69.363 -26.538 0.40 60.68 ? 264 SER A CB 1 ? ? +3221 ATOM C CB B SER A 1 254 ? 16.111 -69.420 -26.479 0.60 66.35 ? 264 SER A CB 1 ? ? +3222 ATOM O OG A SER A 1 254 ? 16.733 -68.677 -25.412 0.40 60.55 ? 264 SER A OG 1 ? ? +3223 ATOM O OG B SER A 1 254 ? 16.503 -68.668 -25.344 0.60 66.11 ? 264 SER A OG 1 ? ? +3224 ATOM N N A PHE A 1 255 ? 19.284 -68.625 -26.843 0.40 60.01 ? 265 PHE A N 1 ? ? +3225 ATOM N N B PHE A 1 255 ? 19.334 -68.648 -27.027 0.60 65.47 ? 265 PHE A N 1 ? ? +3226 ATOM C CA A PHE A 1 255 ? 20.652 -68.798 -26.392 0.40 60.11 ? 265 PHE A CA 1 ? ? +3227 ATOM C CA B PHE A 1 255 ? 20.680 -68.856 -26.523 0.60 65.54 ? 265 PHE A CA 1 ? ? +3228 ATOM C C A PHE A 1 255 ? 20.701 -69.036 -24.886 0.40 60.18 ? 265 PHE A C 1 ? ? +3229 ATOM C C B PHE A 1 255 ? 20.673 -69.067 -25.013 0.60 65.26 ? 265 PHE A C 1 ? ? +3230 ATOM O O A PHE A 1 255 ? 20.124 -68.277 -24.113 0.40 60.02 ? 265 PHE A O 1 ? ? +3231 ATOM O O B PHE A 1 255 ? 20.066 -68.292 -24.283 0.60 65.33 ? 265 PHE A O 1 ? ? +3232 ATOM C CB A PHE A 1 255 ? 21.479 -67.554 -26.728 0.40 59.76 ? 265 PHE A CB 1 ? ? +3233 ATOM C CB B PHE A 1 255 ? 21.568 -67.647 -26.821 0.60 65.58 ? 265 PHE A CB 1 ? ? +3234 ATOM C CG A PHE A 1 255 ? 21.821 -67.361 -28.186 0.40 59.81 ? 265 PHE A CG 1 ? ? +3235 ATOM C CG B PHE A 1 255 ? 21.923 -67.422 -28.271 0.60 66.15 ? 265 PHE A CG 1 ? ? +3236 ATOM C CD1 A PHE A 1 255 ? 22.834 -68.094 -28.782 0.40 60.25 ? 265 PHE A CD1 1 ? ? +3237 ATOM C CD1 B PHE A 1 255 ? 22.958 -68.126 -28.869 0.60 66.74 ? 265 PHE A CD1 1 ? ? +3238 ATOM C CD2 A PHE A 1 255 ? 21.142 -66.436 -28.956 0.40 59.42 ? 265 PHE A CD2 1 ? ? +3239 ATOM C CD2 B PHE A 1 255 ? 21.233 -66.496 -29.032 0.60 66.09 ? 265 PHE A CD2 1 ? ? +3240 ATOM C CE1 A PHE A 1 255 ? 23.155 -67.904 -30.121 0.40 60.06 ? 265 PHE A CE1 1 ? ? +3241 ATOM C CE1 B PHE A 1 255 ? 23.290 -67.906 -30.203 0.60 66.66 ? 265 PHE A CE1 1 ? ? +3242 ATOM C CE2 A PHE A 1 255 ? 21.467 -66.250 -30.294 0.40 59.27 ? 265 PHE A CE2 1 ? ? +3243 ATOM C CE2 B PHE A 1 255 ? 21.572 -66.278 -30.364 0.60 66.08 ? 265 PHE A CE2 1 ? ? +3244 ATOM C CZ A PHE A 1 255 ? 22.470 -66.986 -30.867 0.40 59.54 ? 265 PHE A CZ 1 ? ? +3245 ATOM C CZ B PHE A 1 255 ? 22.597 -66.983 -30.941 0.60 66.22 ? 265 PHE A CZ 1 ? ? +3246 ATOM N N A ASN A 1 256 ? 21.399 -70.097 -24.476 0.40 60.50 ? 266 ASN A N 1 ? ? +3247 ATOM N N B ASN A 1 256 ? 21.365 -70.109 -24.547 0.60 65.26 ? 266 ASN A N 1 ? ? +3248 ATOM C CA A ASN A 1 256 ? 21.665 -70.328 -23.067 0.40 60.67 ? 266 ASN A CA 1 ? ? +3249 ATOM C CA B ASN A 1 256 ? 21.640 -70.247 -23.127 0.60 65.23 ? 266 ASN A CA 1 ? ? +3250 ATOM C C A ASN A 1 256 ? 23.173 -70.299 -22.817 0.40 60.23 ? 266 ASN A C 1 ? ? +3251 ATOM C C B ASN A 1 256 ? 23.130 -70.062 -22.826 0.60 64.05 ? 266 ASN A C 1 ? ? +3252 ATOM O O A ASN A 1 256 ? 23.640 -70.711 -21.755 0.40 60.54 ? 266 ASN A O 1 ? ? +3253 ATOM O O B ASN A 1 256 ? 23.500 -69.894 -21.666 0.60 63.87 ? 266 ASN A O 1 ? ? +3254 ATOM C CB A ASN A 1 256 ? 21.082 -71.656 -22.605 0.40 61.59 ? 266 ASN A CB 1 ? ? +3255 ATOM C CB B ASN A 1 256 ? 21.121 -71.586 -22.604 0.60 66.45 ? 266 ASN A CB 1 ? ? +3256 ATOM C CG A ASN A 1 256 ? 21.974 -72.810 -22.959 0.40 62.42 ? 266 ASN A CG 1 ? ? +3257 ATOM C CG B ASN A 1 256 ? 21.939 -72.765 -23.054 0.60 67.62 ? 266 ASN A CG 1 ? ? +3258 ATOM O OD1 A ASN A 1 256 ? 22.937 -72.674 -23.721 0.40 62.56 ? 266 ASN A OD1 1 ? ? +3259 ATOM O OD1 B ASN A 1 256 ? 22.821 -72.658 -23.913 0.60 68.19 ? 266 ASN A OD1 1 ? ? +3260 ATOM N ND2 A ASN A 1 256 ? 21.692 -73.971 -22.409 0.40 63.26 ? 266 ASN A ND2 1 ? ? +3261 ATOM N ND2 B ASN A 1 256 ? 21.678 -73.923 -22.477 0.60 68.73 ? 266 ASN A ND2 1 ? ? +3262 ATOM N N A ASN A 1 257 ? 23.920 -69.836 -23.827 0.40 59.29 ? 267 ASN A N 1 ? ? +3263 ATOM N N B ASN A 1 257 ? 23.970 -70.104 -23.873 0.60 62.77 ? 267 ASN A N 1 ? ? +3264 ATOM C CA A ASN A 1 257 ? 25.351 -69.610 -23.703 0.40 58.93 ? 267 ASN A CA 1 ? ? +3265 ATOM C CA B ASN A 1 257 ? 25.381 -69.775 -23.751 0.60 61.89 ? 267 ASN A CA 1 ? ? +3266 ATOM C C A ASN A 1 257 ? 25.649 -68.128 -23.916 0.40 57.78 ? 267 ASN A C 1 ? ? +3267 ATOM C C B ASN A 1 257 ? 25.568 -68.272 -23.956 0.60 60.38 ? 267 ASN A C 1 ? ? +3268 ATOM O O A ASN A 1 257 ? 25.635 -67.636 -25.042 0.40 57.32 ? 267 ASN A O 1 ? ? +3269 ATOM O O B ASN A 1 257 ? 25.328 -67.751 -25.044 0.60 59.88 ? 267 ASN A O 1 ? ? +3270 ATOM C CB A ASN A 1 257 ? 26.133 -70.462 -24.697 0.40 59.23 ? 267 ASN A CB 1 ? ? +3271 ATOM C CB B ASN A 1 257 ? 26.220 -70.563 -24.752 0.60 62.09 ? 267 ASN A CB 1 ? ? +3272 ATOM C CG A ASN A 1 257 ? 27.623 -70.260 -24.595 0.40 59.35 ? 267 ASN A CG 1 ? ? +3273 ATOM C CG B ASN A 1 257 ? 27.706 -70.354 -24.578 0.60 62.15 ? 267 ASN A CG 1 ? ? +3274 ATOM O OD1 A ASN A 1 257 ? 28.112 -69.138 -24.449 0.40 58.92 ? 267 ASN A OD1 1 ? ? +3275 ATOM O OD1 B ASN A 1 257 ? 28.170 -69.262 -24.250 0.60 61.65 ? 267 ASN A OD1 1 ? ? +3276 ATOM N ND2 A ASN A 1 257 ? 28.376 -71.344 -24.653 0.40 59.95 ? 267 ASN A ND2 1 ? ? +3277 ATOM N ND2 B ASN A 1 257 ? 28.488 -71.400 -24.773 0.60 62.72 ? 267 ASN A ND2 1 ? ? +3278 ATOM N N A SER A 1 258 ? 25.910 -67.419 -22.815 0.40 57.23 ? 268 SER A N 1 ? ? +3279 ATOM N N B SER A 1 258 ? 26.003 -67.585 -22.896 0.60 59.50 ? 268 SER A N 1 ? ? +3280 ATOM C CA A SER A 1 258 ? 26.116 -65.984 -22.866 0.40 56.27 ? 268 SER A CA 1 ? ? +3281 ATOM C CA B SER A 1 258 ? 26.159 -66.142 -22.919 0.60 58.32 ? 268 SER A CA 1 ? ? +3282 ATOM C C A SER A 1 258 ? 27.207 -65.595 -23.861 0.40 55.73 ? 268 SER A C 1 ? ? +3283 ATOM C C B SER A 1 258 ? 27.261 -65.683 -23.871 0.60 57.56 ? 268 SER A C 1 ? ? +3284 ATOM O O A SER A 1 258 ? 27.132 -64.535 -24.481 0.40 55.15 ? 268 SER A O 1 ? ? +3285 ATOM O O B SER A 1 258 ? 27.176 -64.595 -24.436 0.60 56.93 ? 268 SER A O 1 ? ? +3286 ATOM C CB A SER A 1 258 ? 26.455 -65.451 -21.480 0.40 56.40 ? 268 SER A CB 1 ? ? +3287 ATOM C CB B SER A 1 258 ? 26.432 -65.624 -21.512 0.60 58.47 ? 268 SER A CB 1 ? ? +3288 ATOM O OG A SER A 1 258 ? 26.666 -64.048 -21.514 0.40 55.93 ? 268 SER A OG 1 ? ? +3289 ATOM O OG B SER A 1 258 ? 26.524 -64.209 -21.497 0.60 58.10 ? 268 SER A OG 1 ? ? +3290 ATOM N N A ARG A 1 259 ? 28.215 -66.461 -24.010 0.40 55.86 ? 269 ARG A N 1 ? ? +3291 ATOM N N B ARG A 1 259 ? 28.294 -66.516 -24.045 0.60 57.50 ? 269 ARG A N 1 ? ? +3292 ATOM C CA A ARG A 1 259 ? 29.354 -66.157 -24.859 0.40 55.48 ? 269 ARG A CA 1 ? ? +3293 ATOM C CA B ARG A 1 259 ? 29.407 -66.166 -24.911 0.60 56.98 ? 269 ARG A CA 1 ? ? +3294 ATOM C C A ARG A 1 259 ? 28.972 -66.126 -26.336 0.40 54.84 ? 269 ARG A C 1 ? ? +3295 ATOM C C B ARG A 1 259 ? 28.987 -66.165 -26.378 0.60 56.29 ? 269 ARG A C 1 ? ? +3296 ATOM O O A ARG A 1 259 ? 29.291 -65.170 -27.037 0.40 54.30 ? 269 ARG A O 1 ? ? +3297 ATOM O O B ARG A 1 259 ? 29.263 -65.212 -27.100 0.60 55.64 ? 269 ARG A O 1 ? ? +3298 ATOM C CB A ARG A 1 259 ? 30.492 -67.156 -24.612 0.40 56.21 ? 269 ARG A CB 1 ? ? +3299 ATOM C CB B ARG A 1 259 ? 30.588 -67.109 -24.673 0.60 57.64 ? 269 ARG A CB 1 ? ? +3300 ATOM C CG A ARG A 1 259 ? 31.130 -66.963 -23.251 0.40 56.54 ? 269 ARG A CG 1 ? ? +3301 ATOM C CG B ARG A 1 259 ? 31.139 -66.972 -23.273 0.60 57.94 ? 269 ARG A CG 1 ? ? +3302 ATOM C CD A ARG A 1 259 ? 32.459 -67.669 -23.097 0.40 57.14 ? 269 ARG A CD 1 ? ? +3303 ATOM C CD B ARG A 1 259 ? 32.477 -67.643 -23.083 0.60 58.46 ? 269 ARG A CD 1 ? ? +3304 ATOM N NE A ARG A 1 259 ? 33.092 -67.272 -21.847 0.40 57.40 ? 269 ARG A NE 1 ? ? +3305 ATOM N NE B ARG A 1 259 ? 33.041 -67.260 -21.797 0.60 58.68 ? 269 ARG A NE 1 ? ? +3306 ATOM C CZ A ARG A 1 259 ? 34.347 -67.540 -21.522 0.40 57.95 ? 269 ARG A CZ 1 ? ? +3307 ATOM C CZ B ARG A 1 259 ? 34.299 -67.456 -21.434 0.60 59.21 ? 269 ARG A CZ 1 ? ? +3308 ATOM N NH1 A ARG A 1 259 ? 35.121 -68.275 -22.303 0.40 58.33 ? 269 ARG A NH1 1 ? ? +3309 ATOM N NH1 B ARG A 1 259 ? 35.123 -68.185 -22.168 0.60 59.63 ? 269 ARG A NH1 1 ? ? +3310 ATOM N NH2 A ARG A 1 259 ? 34.840 -67.054 -20.386 0.40 58.12 ? 269 ARG A NH2 1 ? ? +3311 ATOM N NH2 B ARG A 1 259 ? 34.743 -66.905 -20.306 0.60 59.33 ? 269 ARG A NH2 1 ? ? +3312 ATOM N N A SER A 1 260 ? 28.279 -67.169 -26.803 0.40 54.84 ? 270 SER A N 1 ? ? +3313 ATOM N N B SER A 1 260 ? 28.301 -67.229 -26.810 0.60 56.35 ? 270 SER A N 1 ? ? +3314 ATOM C CA A SER A 1 260 ? 27.856 -67.215 -28.193 0.40 54.39 ? 270 SER A CA 1 ? ? +3315 ATOM C CA B SER A 1 260 ? 27.787 -67.292 -28.169 0.60 55.96 ? 270 SER A CA 1 ? ? +3316 ATOM C C A SER A 1 260 ? 26.711 -66.237 -28.449 0.40 53.47 ? 270 SER A C 1 ? ? +3317 ATOM C C B SER A 1 260 ? 26.740 -66.211 -28.426 0.60 54.83 ? 270 SER A C 1 ? ? +3318 ATOM O O A SER A 1 260 ? 26.517 -65.789 -29.575 0.40 53.06 ? 270 SER A O 1 ? ? +3319 ATOM O O B SER A 1 260 ? 26.671 -65.658 -29.519 0.60 54.31 ? 270 SER A O 1 ? ? +3320 ATOM C CB A SER A 1 260 ? 27.484 -68.633 -28.612 0.40 54.96 ? 270 SER A CB 1 ? ? +3321 ATOM C CB B SER A 1 260 ? 27.218 -68.668 -28.466 0.60 56.68 ? 270 SER A CB 1 ? ? +3322 ATOM O OG A SER A 1 260 ? 26.479 -69.182 -27.783 0.40 55.30 ? 270 SER A OG 1 ? ? +3323 ATOM O OG B SER A 1 260 ? 25.970 -68.819 -27.825 0.60 57.05 ? 270 SER A OG 1 ? ? +3324 ATOM N N A LEU A 1 261 ? 25.974 -65.887 -27.390 0.40 53.12 ? 271 LEU A N 1 ? ? +3325 ATOM N N B LEU A 1 261 ? 25.939 -65.900 -27.403 0.60 54.36 ? 271 LEU A N 1 ? ? +3326 ATOM C CA A LEU A 1 261 ? 24.963 -64.845 -27.479 0.40 52.35 ? 271 LEU A CA 1 ? ? +3327 ATOM C CA B LEU A 1 261 ? 24.965 -64.823 -27.497 0.60 53.50 ? 271 LEU A CA 1 ? ? +3328 ATOM C C A LEU A 1 261 ? 25.605 -63.490 -27.755 0.40 51.59 ? 271 LEU A C 1 ? ? +3329 ATOM C C B LEU A 1 261 ? 25.634 -63.483 -27.785 0.60 52.48 ? 271 LEU A C 1 ? ? +3330 ATOM O O A LEU A 1 261 ? 25.233 -62.794 -28.697 0.40 51.08 ? 271 LEU A O 1 ? ? +3331 ATOM O O B LEU A 1 261 ? 25.268 -62.794 -28.733 0.60 51.89 ? 271 LEU A O 1 ? ? +3332 ATOM C CB A LEU A 1 261 ? 24.149 -64.767 -26.186 0.40 52.45 ? 271 LEU A CB 1 ? ? +3333 ATOM C CB B LEU A 1 261 ? 24.155 -64.723 -26.203 0.60 53.79 ? 271 LEU A CB 1 ? ? +3334 ATOM C CG A LEU A 1 261 ? 23.323 -63.498 -26.019 0.40 51.92 ? 271 LEU A CG 1 ? ? +3335 ATOM C CG B LEU A 1 261 ? 23.354 -63.443 -26.016 0.60 53.47 ? 271 LEU A CG 1 ? ? +3336 ATOM C CD1 A LEU A 1 261 ? 22.228 -63.409 -27.071 0.40 51.63 ? 271 LEU A CD1 1 ? ? +3337 ATOM C CD1 B LEU A 1 261 ? 22.247 -63.333 -27.052 0.60 53.17 ? 271 LEU A CD1 1 ? ? +3338 ATOM C CD2 A LEU A 1 261 ? 22.725 -63.424 -24.633 0.40 52.08 ? 271 LEU A CD2 1 ? ? +3339 ATOM C CD2 B LEU A 1 261 ? 22.795 -63.374 -24.622 0.60 53.82 ? 271 LEU A CD2 1 ? ? +3340 ATOM N N A HIS A 1 262 ? 26.579 -63.122 -26.918 0.40 51.49 ? 272 HIS A N 1 ? ? +3341 ATOM N N B HIS A 1 262 ? 26.608 -63.114 -26.949 0.60 52.18 ? 272 HIS A N 1 ? ? +3342 ATOM C CA A HIS A 1 262 ? 27.260 -61.845 -27.059 0.40 50.88 ? 272 HIS A CA 1 ? ? +3343 ATOM C CA B HIS A 1 262 ? 27.291 -61.836 -27.100 0.60 51.41 ? 272 HIS A CA 1 ? ? +3344 ATOM C C A HIS A 1 262 ? 28.107 -61.789 -28.335 0.40 50.67 ? 272 HIS A C 1 ? ? +3345 ATOM C C B HIS A 1 262 ? 28.144 -61.794 -28.374 0.60 51.08 ? 272 HIS A C 1 ? ? +3346 ATOM O O A HIS A 1 262 ? 28.306 -60.711 -28.892 0.40 50.16 ? 272 HIS A O 1 ? ? +3347 ATOM O O B HIS A 1 262 ? 28.331 -60.724 -28.950 0.60 50.53 ? 272 HIS A O 1 ? ? +3348 ATOM C CB A HIS A 1 262 ? 28.088 -61.533 -25.787 0.40 51.05 ? 272 HIS A CB 1 ? ? +3349 ATOM C CB B HIS A 1 262 ? 28.103 -61.498 -25.818 0.60 51.51 ? 272 HIS A CB 1 ? ? +3350 ATOM C CG A HIS A 1 262 ? 27.298 -60.996 -24.624 0.40 50.84 ? 272 HIS A CG 1 ? ? +3351 ATOM C CG B HIS A 1 262 ? 27.291 -60.983 -24.660 0.60 51.23 ? 272 HIS A CG 1 ? ? +3352 ATOM N ND1 A HIS A 1 262 ? 26.894 -61.815 -23.586 0.40 51.25 ? 272 HIS A ND1 1 ? ? +3353 ATOM N ND1 B HIS A 1 262 ? 26.882 -61.816 -23.639 0.60 51.61 ? 272 HIS A ND1 1 ? ? +3354 ATOM C CD2 A HIS A 1 262 ? 26.862 -59.738 -24.374 0.40 50.33 ? 272 HIS A CD2 1 ? ? +3355 ATOM C CD2 B HIS A 1 262 ? 26.839 -59.734 -24.401 0.60 50.70 ? 272 HIS A CD2 1 ? ? +3356 ATOM C CE1 A HIS A 1 262 ? 26.234 -61.040 -22.733 0.40 51.02 ? 272 HIS A CE1 1 ? ? +3357 ATOM C CE1 B HIS A 1 262 ? 26.204 -61.061 -22.785 0.60 51.39 ? 272 HIS A CE1 1 ? ? +3358 ATOM N NE2 A HIS A 1 262 ? 26.183 -59.773 -23.165 0.40 50.45 ? 272 HIS A NE2 1 ? ? +3359 ATOM N NE2 B HIS A 1 262 ? 26.142 -59.788 -23.199 0.60 50.81 ? 272 HIS A NE2 1 ? ? +3360 ATOM N N A PHE A 1 263 ? 28.565 -62.951 -28.823 0.40 51.00 ? 273 PHE A N 1 ? ? +3361 ATOM N N B PHE A 1 263 ? 28.614 -62.957 -28.849 0.60 51.36 ? 273 PHE A N 1 ? ? +3362 ATOM C CA A PHE A 1 263 ? 29.231 -63.025 -30.117 0.40 50.90 ? 273 PHE A CA 1 ? ? +3363 ATOM C CA B PHE A 1 263 ? 29.275 -63.037 -30.145 0.60 51.21 ? 273 PHE A CA 1 ? ? +3364 ATOM C C A PHE A 1 263 ? 28.285 -62.649 -31.252 0.40 50.36 ? 273 PHE A C 1 ? ? +3365 ATOM C C B PHE A 1 263 ? 28.322 -62.691 -31.284 0.60 50.65 ? 273 PHE A C 1 ? ? +3366 ATOM O O A PHE A 1 263 ? 28.626 -61.844 -32.115 0.40 49.95 ? 273 PHE A O 1 ? ? +3367 ATOM O O B PHE A 1 263 ? 28.666 -61.929 -32.184 0.60 50.21 ? 273 PHE A O 1 ? ? +3368 ATOM C CB A PHE A 1 263 ? 29.796 -64.428 -30.410 0.40 51.53 ? 273 PHE A CB 1 ? ? +3369 ATOM C CB B PHE A 1 263 ? 29.870 -64.436 -30.421 0.60 51.85 ? 273 PHE A CB 1 ? ? +3370 ATOM C CG A PHE A 1 263 ? 30.285 -64.580 -31.837 0.40 51.54 ? 273 PHE A CG 1 ? ? +3371 ATOM C CG B PHE A 1 263 ? 30.337 -64.614 -31.854 0.60 51.84 ? 273 PHE A CG 1 ? ? +3372 ATOM C CD1 A PHE A 1 263 ? 31.330 -63.806 -32.317 0.40 51.38 ? 273 PHE A CD1 1 ? ? +3373 ATOM C CD1 B PHE A 1 263 ? 31.365 -63.837 -32.371 0.60 51.68 ? 273 PHE A CD1 1 ? ? +3374 ATOM C CD2 A PHE A 1 263 ? 29.687 -65.482 -32.701 0.40 51.70 ? 273 PHE A CD2 1 ? ? +3375 ATOM C CD2 B PHE A 1 263 ? 29.731 -65.541 -32.690 0.60 51.99 ? 273 PHE A CD2 1 ? ? +3376 ATOM C CE1 A PHE A 1 263 ? 31.767 -63.939 -33.630 0.40 51.39 ? 273 PHE A CE1 1 ? ? +3377 ATOM C CE1 B PHE A 1 263 ? 31.779 -63.993 -33.692 0.60 51.68 ? 273 PHE A CE1 1 ? ? +3378 ATOM C CE2 A PHE A 1 263 ? 30.129 -65.612 -34.012 0.40 51.69 ? 273 PHE A CE2 1 ? ? +3379 ATOM C CE2 B PHE A 1 263 ? 30.150 -65.692 -34.009 0.60 52.00 ? 273 PHE A CE2 1 ? ? +3380 ATOM C CZ A PHE A 1 263 ? 31.162 -64.840 -34.468 0.40 51.55 ? 273 PHE A CZ 1 ? ? +3381 ATOM C CZ B PHE A 1 263 ? 31.164 -64.917 -34.503 0.60 51.85 ? 273 PHE A CZ 1 ? ? +3382 ATOM N N A PHE A 1 264 ? 27.099 -63.268 -31.245 0.40 50.37 ? 274 PHE A N 1 ? ? +3383 ATOM N N B PHE A 1 264 ? 27.126 -63.285 -31.241 0.60 50.65 ? 274 PHE A N 1 ? ? +3384 ATOM C CA A PHE A 1 264 ? 26.042 -62.943 -32.190 0.40 49.93 ? 274 PHE A CA 1 ? ? +3385 ATOM C CA B PHE A 1 264 ? 26.077 -62.986 -32.204 0.60 50.22 ? 274 PHE A CA 1 ? ? +3386 ATOM C C A PHE A 1 264 ? 25.764 -61.442 -32.192 0.40 49.22 ? 274 PHE A C 1 ? ? +3387 ATOM C C B PHE A 1 264 ? 25.762 -61.492 -32.237 0.60 49.50 ? 274 PHE A C 1 ? ? +3388 ATOM O O A PHE A 1 264 ? 25.701 -60.819 -33.250 0.40 48.87 ? 274 PHE A O 1 ? ? +3389 ATOM O O B PHE A 1 264 ? 25.634 -60.909 -33.313 0.60 49.15 ? 274 PHE A O 1 ? ? +3390 ATOM C CB A PHE A 1 264 ? 24.775 -63.727 -31.836 0.40 50.16 ? 274 PHE A CB 1 ? ? +3391 ATOM C CB B PHE A 1 264 ? 24.825 -63.801 -31.876 0.60 50.46 ? 274 PHE A CB 1 ? ? +3392 ATOM C CG A PHE A 1 264 ? 23.611 -63.538 -32.773 0.40 49.90 ? 274 PHE A CG 1 ? ? +3393 ATOM C CG B PHE A 1 264 ? 23.665 -63.583 -32.808 0.60 50.19 ? 274 PHE A CG 1 ? ? +3394 ATOM C CD1 A PHE A 1 264 ? 23.581 -64.169 -34.003 0.40 50.06 ? 274 PHE A CD1 1 ? ? +3395 ATOM C CD1 B PHE A 1 264 ? 23.648 -64.159 -34.066 0.60 50.32 ? 274 PHE A CD1 1 ? ? +3396 ATOM C CD2 A PHE A 1 264 ? 22.539 -62.743 -32.417 0.40 49.54 ? 274 PHE A CD2 1 ? ? +3397 ATOM C CD2 B PHE A 1 264 ? 22.595 -62.792 -32.432 0.60 49.83 ? 274 PHE A CD2 1 ? ? +3398 ATOM C CE1 A PHE A 1 264 ? 22.496 -64.009 -34.855 0.40 49.84 ? 274 PHE A CE1 1 ? ? +3399 ATOM C CE1 B PHE A 1 264 ? 22.566 -63.966 -34.920 0.60 50.11 ? 274 PHE A CE1 1 ? ? +3400 ATOM C CE2 A PHE A 1 264 ? 21.468 -62.577 -33.274 0.40 49.32 ? 274 PHE A CE2 1 ? ? +3401 ATOM C CE2 B PHE A 1 264 ? 21.526 -62.596 -33.289 0.60 49.60 ? 274 PHE A CE2 1 ? ? +3402 ATOM C CZ A PHE A 1 264 ? 21.451 -63.212 -34.488 0.40 49.47 ? 274 PHE A CZ 1 ? ? +3403 ATOM C CZ B PHE A 1 264 ? 21.518 -63.183 -34.531 0.60 49.73 ? 274 PHE A CZ 1 ? ? +3404 ATOM N N A LEU A 1 265 ? 25.611 -60.869 -30.993 0.40 49.03 ? 275 LEU A N 1 ? ? +3405 ATOM N N B LEU A 1 265 ? 25.660 -60.877 -31.052 0.60 49.30 ? 275 LEU A N 1 ? ? +3406 ATOM C CA A LEU A 1 265 ? 25.372 -59.442 -30.855 0.40 48.43 ? 275 LEU A CA 1 ? ? +3407 ATOM C CA B LEU A 1 265 ? 25.428 -59.443 -30.944 0.60 48.73 ? 275 LEU A CA 1 ? ? +3408 ATOM C C A LEU A 1 265 ? 26.453 -58.645 -31.579 0.40 48.19 ? 275 LEU A C 1 ? ? +3409 ATOM C C B LEU A 1 265 ? 26.509 -58.638 -31.662 0.60 48.47 ? 275 LEU A C 1 ? ? +3410 ATOM O O A LEU A 1 265 ? 26.157 -57.663 -32.254 0.40 47.73 ? 275 LEU A O 1 ? ? +3411 ATOM O O B LEU A 1 265 ? 26.204 -57.651 -32.325 0.60 47.97 ? 275 LEU A O 1 ? ? +3412 ATOM C CB A LEU A 1 265 ? 25.326 -59.039 -29.376 0.40 48.44 ? 275 LEU A CB 1 ? ? +3413 ATOM C CB B LEU A 1 265 ? 25.364 -59.006 -29.469 0.60 48.78 ? 275 LEU A CB 1 ? ? +3414 ATOM C CG A LEU A 1 265 ? 24.120 -59.539 -28.585 0.40 48.59 ? 275 LEU A CG 1 ? ? +3415 ATOM C CG B LEU A 1 265 ? 24.184 -59.517 -28.644 0.60 49.02 ? 275 LEU A CG 1 ? ? +3416 ATOM C CD1 A LEU A 1 265 ? 24.122 -58.986 -27.186 0.40 48.59 ? 275 LEU A CD1 1 ? ? +3417 ATOM C CD1 B LEU A 1 265 ? 24.214 -58.952 -27.255 0.60 49.00 ? 275 LEU A CD1 1 ? ? +3418 ATOM C CD2 A LEU A 1 265 ? 22.801 -59.178 -29.277 0.40 48.23 ? 275 LEU A CD2 1 ? ? +3419 ATOM C CD2 B LEU A 1 265 ? 22.837 -59.185 -29.303 0.60 48.74 ? 275 LEU A CD2 1 ? ? +3420 ATOM N N A ALA A 1 266 ? 27.713 -59.070 -31.423 0.40 48.54 ? 276 ALA A N 1 ? ? +3421 ATOM N N B ALA A 1 266 ? 27.776 -59.051 -31.513 0.60 48.80 ? 276 ALA A N 1 ? ? +3422 ATOM C CA A ALA A 1 266 ? 28.820 -58.412 -32.094 0.40 48.42 ? 276 ALA A CA 1 ? ? +3423 ATOM C CA B ALA A 1 266 ? 28.871 -58.383 -32.197 0.60 48.69 ? 276 ALA A CA 1 ? ? +3424 ATOM C C A ALA A 1 266 ? 28.690 -58.580 -33.603 0.40 48.31 ? 276 ALA A C 1 ? ? +3425 ATOM C C B ALA A 1 266 ? 28.761 -58.588 -33.704 0.60 48.61 ? 276 ALA A C 1 ? ? +3426 ATOM O O A ALA A 1 266 ? 28.602 -57.600 -34.340 0.40 47.92 ? 276 ALA A O 1 ? ? +3427 ATOM O O B ALA A 1 266 ? 28.758 -57.624 -34.467 0.60 48.24 ? 276 ALA A O 1 ? ? +3428 ATOM C CB A ALA A 1 266 ? 30.159 -58.973 -31.622 0.40 48.93 ? 276 ALA A CB 1 ? ? +3429 ATOM C CB B ALA A 1 266 ? 30.226 -58.895 -31.709 0.60 49.18 ? 276 ALA A CB 1 ? ? +3430 ATOM N N A ALA A 1 267 ? 28.665 -59.840 -34.044 0.40 48.68 ? 277 ALA A N 1 ? ? +3431 ATOM N N B ALA A 1 267 ? 28.654 -59.857 -34.111 0.60 48.99 ? 277 ALA A N 1 ? ? +3432 ATOM C CA A ALA A 1 267 ? 28.769 -60.169 -35.456 0.40 48.69 ? 277 ALA A CA 1 ? ? +3433 ATOM C CA B ALA A 1 267 ? 28.775 -60.239 -35.509 0.60 49.05 ? 277 ALA A CA 1 ? ? +3434 ATOM C C A ALA A 1 267 ? 27.712 -59.477 -36.314 0.40 48.20 ? 277 ALA A C 1 ? ? +3435 ATOM C C B ALA A 1 267 ? 27.715 -59.618 -36.418 0.60 48.51 ? 277 ALA A C 1 ? ? +3436 ATOM O O A ALA A 1 267 ? 28.045 -58.789 -37.277 0.40 47.95 ? 277 ALA A O 1 ? ? +3437 ATOM O O B ALA A 1 267 ? 28.040 -59.120 -37.494 0.60 48.33 ? 277 ALA A O 1 ? ? +3438 ATOM C CB A ALA A 1 267 ? 28.682 -61.676 -35.637 0.40 49.21 ? 277 ALA A CB 1 ? ? +3439 ATOM C CB B ALA A 1 267 ? 28.729 -61.755 -35.630 0.60 49.63 ? 277 ALA A CB 1 ? ? +3440 ATOM N N A TRP A 1 268 ? 26.439 -59.654 -35.948 0.40 48.05 ? 278 TRP A N 1 ? ? +3441 ATOM N N B TRP A 1 268 ? 26.450 -59.647 -35.983 0.60 48.27 ? 278 TRP A N 1 ? ? +3442 ATOM C CA A TRP A 1 268 ? 25.346 -59.327 -36.847 0.40 47.72 ? 278 TRP A CA 1 ? ? +3443 ATOM C CA B TRP A 1 268 ? 25.354 -59.318 -36.878 0.60 47.89 ? 278 TRP A CA 1 ? ? +3444 ATOM C C A TRP A 1 268 ? 25.428 -57.907 -37.397 0.40 47.15 ? 278 TRP A C 1 ? ? +3445 ATOM C C B TRP A 1 268 ? 25.437 -57.898 -37.432 0.60 47.27 ? 278 TRP A C 1 ? ? +3446 ATOM O O A TRP A 1 268 ? 25.447 -57.708 -38.607 0.40 47.04 ? 278 TRP A O 1 ? ? +3447 ATOM O O B TRP A 1 268 ? 25.441 -57.708 -38.644 0.60 47.16 ? 278 TRP A O 1 ? ? +3448 ATOM C CB A TRP A 1 268 ? 23.997 -59.551 -36.173 0.40 47.72 ? 278 TRP A CB 1 ? ? +3449 ATOM C CB B TRP A 1 268 ? 23.991 -59.565 -36.219 0.60 47.92 ? 278 TRP A CB 1 ? ? +3450 ATOM C CG A TRP A 1 268 ? 22.857 -59.227 -37.076 0.40 47.49 ? 278 TRP A CG 1 ? ? +3451 ATOM C CG B TRP A 1 268 ? 22.861 -59.238 -37.138 0.60 47.72 ? 278 TRP A CG 1 ? ? +3452 ATOM C CD1 A TRP A 1 268 ? 22.402 -57.987 -37.409 0.40 47.02 ? 278 TRP A CD1 1 ? ? +3453 ATOM C CD1 B TRP A 1 268 ? 22.393 -57.999 -37.460 0.60 47.27 ? 278 TRP A CD1 1 ? ? +3454 ATOM C CD2 A TRP A 1 268 ? 22.064 -60.158 -37.808 0.40 47.78 ? 278 TRP A CD2 1 ? ? +3455 ATOM C CD2 B TRP A 1 268 ? 22.107 -60.166 -37.912 0.60 48.05 ? 278 TRP A CD2 1 ? ? +3456 ATOM N NE1 A TRP A 1 268 ? 21.353 -58.091 -38.284 0.40 46.98 ? 278 TRP A NE1 1 ? ? +3457 ATOM N NE1 B TRP A 1 268 ? 21.371 -58.101 -38.366 0.60 47.25 ? 278 TRP A NE1 1 ? ? +3458 ATOM C CE2 A TRP A 1 268 ? 21.118 -59.416 -38.542 0.40 47.43 ? 278 TRP A CE2 1 ? ? +3459 ATOM C CE2 B TRP A 1 268 ? 21.166 -59.424 -38.655 0.60 47.75 ? 278 TRP A CE2 1 ? ? +3460 ATOM C CE3 A TRP A 1 268 ? 22.043 -61.556 -37.900 0.40 48.31 ? 278 TRP A CE3 1 ? ? +3461 ATOM C CE3 B TRP A 1 268 ? 22.111 -61.565 -38.029 0.60 48.61 ? 278 TRP A CE3 1 ? ? +3462 ATOM C CZ2 A TRP A 1 268 ? 20.164 -60.023 -39.357 0.40 47.59 ? 278 TRP A CZ2 1 ? ? +3463 ATOM C CZ2 B TRP A 1 268 ? 20.241 -60.032 -39.505 0.60 47.90 ? 278 TRP A CZ2 1 ? ? +3464 ATOM C CZ3 A TRP A 1 268 ? 21.096 -62.155 -38.710 0.40 48.46 ? 278 TRP A CZ3 1 ? ? +3465 ATOM C CZ3 B TRP A 1 268 ? 21.197 -62.165 -38.877 0.60 48.75 ? 278 TRP A CZ3 1 ? ? +3466 ATOM C CH2 A TRP A 1 268 ? 20.171 -61.391 -39.425 0.40 48.09 ? 278 TRP A CH2 1 ? ? +3467 ATOM C CH2 B TRP A 1 268 ? 20.274 -61.401 -39.600 0.60 48.40 ? 278 TRP A CH2 1 ? ? +3468 ATOM N N A PRO A 1 269 ? 25.458 -56.865 -36.541 0.40 46.80 ? 279 PRO A N 1 ? ? +3469 ATOM N N B PRO A 1 269 ? 25.486 -56.848 -36.585 0.60 46.88 ? 279 PRO A N 1 ? ? +3470 ATOM C CA A PRO A 1 269 ? 25.576 -55.495 -37.034 0.40 46.36 ? 279 PRO A CA 1 ? ? +3471 ATOM C CA B PRO A 1 269 ? 25.607 -55.480 -37.086 0.60 46.42 ? 279 PRO A CA 1 ? ? +3472 ATOM C C A PRO A 1 269 ? 26.896 -55.225 -37.758 0.40 46.44 ? 279 PRO A C 1 ? ? +3473 ATOM C C B PRO A 1 269 ? 26.944 -55.192 -37.771 0.60 46.49 ? 279 PRO A C 1 ? ? +3474 ATOM O O A PRO A 1 269 ? 26.917 -54.508 -38.755 0.40 46.21 ? 279 PRO A O 1 ? ? +3475 ATOM O O B PRO A 1 269 ? 26.994 -54.427 -38.732 0.60 46.26 ? 279 PRO A O 1 ? ? +3476 ATOM C CB A PRO A 1 269 ? 25.411 -54.652 -35.765 0.40 46.12 ? 279 PRO A CB 1 ? ? +3477 ATOM C CB B PRO A 1 269 ? 25.407 -54.642 -35.821 0.60 46.18 ? 279 PRO A CB 1 ? ? +3478 ATOM C CG A PRO A 1 269 ? 25.742 -55.571 -34.633 0.40 46.52 ? 279 PRO A CG 1 ? ? +3479 ATOM C CG B PRO A 1 269 ? 25.829 -55.529 -34.709 0.60 46.58 ? 279 PRO A CG 1 ? ? +3480 ATOM C CD A PRO A 1 269 ? 25.362 -56.950 -35.076 0.40 46.89 ? 279 PRO A CD 1 ? ? +3481 ATOM C CD B PRO A 1 269 ? 25.430 -56.909 -35.118 0.60 46.96 ? 279 PRO A CD 1 ? ? +3482 ATOM N N A VAL A 1 270 ? 27.999 -55.802 -37.270 0.40 46.79 ? 280 VAL A N 1 ? ? +3483 ATOM N N B VAL A 1 270 ? 28.028 -55.802 -37.282 0.60 46.85 ? 280 VAL A N 1 ? ? +3484 ATOM C CA A VAL A 1 270 ? 29.301 -55.548 -37.868 0.40 46.94 ? 280 VAL A CA 1 ? ? +3485 ATOM C CA B VAL A 1 270 ? 29.337 -55.574 -37.873 0.60 47.00 ? 280 VAL A CA 1 ? ? +3486 ATOM C C A VAL A 1 270 ? 29.337 -56.072 -39.303 0.40 47.08 ? 280 VAL A C 1 ? ? +3487 ATOM C C B VAL A 1 270 ? 29.359 -56.089 -39.311 0.60 47.15 ? 280 VAL A C 1 ? ? +3488 ATOM O O A VAL A 1 270 ? 29.681 -55.343 -40.230 0.40 46.93 ? 280 VAL A O 1 ? ? +3489 ATOM O O B VAL A 1 270 ? 29.684 -55.345 -40.232 0.60 46.99 ? 280 VAL A O 1 ? ? +3490 ATOM C CB A VAL A 1 270 ? 30.456 -56.132 -37.002 0.40 47.37 ? 280 VAL A CB 1 ? ? +3491 ATOM C CB B VAL A 1 270 ? 30.473 -56.185 -37.005 0.60 47.43 ? 280 VAL A CB 1 ? ? +3492 ATOM C CG1 A VAL A 1 270 ? 31.765 -56.218 -37.786 0.40 47.63 ? 280 VAL A CG1 1 ? ? +3493 ATOM C CG1 B VAL A 1 270 ? 31.800 -56.233 -37.761 0.60 47.67 ? 280 VAL A CG1 1 ? ? +3494 ATOM C CG2 A VAL A 1 270 ? 30.634 -55.329 -35.715 0.40 47.22 ? 280 VAL A CG2 1 ? ? +3495 ATOM C CG2 B VAL A 1 270 ? 30.618 -55.426 -35.688 0.60 47.28 ? 280 VAL A CG2 1 ? ? +3496 ATOM N N A VAL A 1 271 ? 28.958 -57.338 -39.490 0.40 47.44 ? 281 VAL A N 1 ? ? +3497 ATOM N N B VAL A 1 271 ? 28.977 -57.354 -39.510 0.60 47.53 ? 281 VAL A N 1 ? ? +3498 ATOM C CA A VAL A 1 271 ? 28.935 -57.921 -40.820 0.40 47.64 ? 281 VAL A CA 1 ? ? +3499 ATOM C CA B VAL A 1 271 ? 28.950 -57.929 -40.847 0.60 47.75 ? 281 VAL A CA 1 ? ? +3500 ATOM C C A VAL A 1 271 ? 28.028 -57.121 -41.752 0.40 47.24 ? 281 VAL A C 1 ? ? +3501 ATOM C C B VAL A 1 271 ? 28.026 -57.130 -41.763 0.60 47.31 ? 281 VAL A C 1 ? ? +3502 ATOM O O A VAL A 1 271 ? 28.374 -56.877 -42.907 0.40 47.20 ? 281 VAL A O 1 ? ? +3503 ATOM O O B VAL A 1 271 ? 28.363 -56.865 -42.916 0.60 47.25 ? 281 VAL A O 1 ? ? +3504 ATOM C CB A VAL A 1 271 ? 28.503 -59.399 -40.772 0.40 48.08 ? 281 VAL A CB 1 ? ? +3505 ATOM C CB B VAL A 1 271 ? 28.549 -59.423 -40.823 0.60 48.24 ? 281 VAL A CB 1 ? ? +3506 ATOM C CG1 A VAL A 1 271 ? 28.228 -59.929 -42.172 0.40 48.22 ? 281 VAL A CG1 1 ? ? +3507 ATOM C CG1 B VAL A 1 271 ? 28.385 -59.971 -42.235 0.60 48.47 ? 281 VAL A CG1 1 ? ? +3508 ATOM C CG2 A VAL A 1 271 ? 29.544 -60.256 -40.059 0.40 48.57 ? 281 VAL A CG2 1 ? ? +3509 ATOM C CG2 B VAL A 1 271 ? 29.559 -60.262 -40.045 0.60 48.73 ? 281 VAL A CG2 1 ? ? +3510 ATOM N N A GLY A 1 272 ? 26.862 -56.717 -41.234 0.40 46.98 ? 282 GLY A N 1 ? ? +3511 ATOM N N B GLY A 1 272 ? 26.854 -56.750 -41.238 0.60 47.05 ? 282 GLY A N 1 ? ? +3512 ATOM C CA A GLY A 1 272 ? 25.885 -55.980 -42.017 0.40 46.64 ? 282 GLY A CA 1 ? ? +3513 ATOM C CA B GLY A 1 272 ? 25.877 -55.999 -42.008 0.60 46.68 ? 282 GLY A CA 1 ? ? +3514 ATOM C C A GLY A 1 272 ? 26.442 -54.648 -42.510 0.40 46.35 ? 282 GLY A C 1 ? ? +3515 ATOM C C B GLY A 1 272 ? 26.435 -54.669 -42.505 0.60 46.38 ? 282 GLY A C 1 ? ? +3516 ATOM O O A GLY A 1 272 ? 26.313 -54.307 -43.683 0.40 46.27 ? 282 GLY A O 1 ? ? +3517 ATOM O O B GLY A 1 272 ? 26.310 -54.338 -43.681 0.60 46.31 ? 282 GLY A O 1 ? ? +3518 ATOM N N A VAL A 1 273 ? 27.069 -53.906 -41.593 0.40 46.26 ? 283 VAL A N 1 ? ? +3519 ATOM N N B VAL A 1 273 ? 27.058 -53.916 -41.593 0.60 46.26 ? 283 VAL A N 1 ? ? +3520 ATOM C CA A VAL A 1 273 ? 27.657 -52.617 -41.919 0.40 46.02 ? 283 VAL A CA 1 ? ? +3521 ATOM C CA B VAL A 1 273 ? 27.645 -52.628 -41.925 0.60 46.02 ? 283 VAL A CA 1 ? ? +3522 ATOM C C A VAL A 1 273 ? 28.868 -52.751 -42.842 0.40 46.30 ? 283 VAL A C 1 ? ? +3523 ATOM C C B VAL A 1 273 ? 28.865 -52.755 -42.840 0.60 46.30 ? 283 VAL A C 1 ? ? +3524 ATOM O O A VAL A 1 273 ? 29.129 -51.846 -43.634 0.40 46.15 ? 283 VAL A O 1 ? ? +3525 ATOM O O B VAL A 1 273 ? 29.135 -51.846 -43.623 0.60 46.16 ? 283 VAL A O 1 ? ? +3526 ATOM C CB A VAL A 1 273 ? 28.001 -51.851 -40.625 0.40 45.86 ? 283 VAL A CB 1 ? ? +3527 ATOM C CB B VAL A 1 273 ? 27.971 -51.855 -40.632 0.60 45.84 ? 283 VAL A CB 1 ? ? +3528 ATOM C CG1 A VAL A 1 273 ? 28.940 -50.673 -40.894 0.40 45.71 ? 283 VAL A CG1 1 ? ? +3529 ATOM C CG1 B VAL A 1 273 ? 28.868 -50.646 -40.898 0.60 45.66 ? 283 VAL A CG1 1 ? ? +3530 ATOM C CG2 A VAL A 1 273 ? 26.724 -51.396 -39.928 0.40 45.53 ? 283 VAL A CG2 1 ? ? +3531 ATOM C CG2 B VAL A 1 273 ? 26.685 -51.434 -39.931 0.60 45.51 ? 283 VAL A CG2 1 ? ? +3532 ATOM N N . TRP A 1 274 ? 29.592 -53.879 -42.745 1.00 46.76 ? 284 TRP A N 1 ? ? +3533 ATOM C CA . TRP A 1 274 ? 30.632 -54.201 -43.717 1.00 47.10 ? 284 TRP A CA 1 ? ? +3534 ATOM C CB . TRP A 1 274 ? 31.331 -55.543 -43.430 1.00 47.64 ? 284 TRP A CB 1 ? ? +3535 ATOM C CG . TRP A 1 274 ? 32.386 -55.511 -42.382 1.00 47.85 ? 284 TRP A CG 1 ? ? +3536 ATOM C CD1 . TRP A 1 274 ? 33.055 -54.421 -41.921 1.00 47.69 ? 284 TRP A CD1 1 ? ? +3537 ATOM N NE1 . TRP A 1 274 ? 33.959 -54.791 -40.959 1.00 48.02 ? 284 TRP A NE1 1 ? ? +3538 ATOM C CE2 . TRP A 1 274 ? 33.890 -56.146 -40.786 1.00 48.44 ? 284 TRP A CE2 1 ? ? +3539 ATOM C CZ2 . TRP A 1 274 ? 34.592 -56.983 -39.922 1.00 48.90 ? 284 TRP A CZ2 1 ? ? +3540 ATOM C CH2 . TRP A 1 274 ? 34.292 -58.324 -39.957 1.00 49.29 ? 284 TRP A CH2 1 ? ? +3541 ATOM C CZ3 . TRP A 1 274 ? 33.330 -58.836 -40.827 1.00 49.24 ? 284 TRP A CZ3 1 ? ? +3542 ATOM C CE3 . TRP A 1 274 ? 32.625 -58.005 -41.682 1.00 48.78 ? 284 TRP A CE3 1 ? ? +3543 ATOM C CD2 . TRP A 1 274 ? 32.900 -56.630 -41.666 1.00 48.35 ? 284 TRP A CD2 1 ? ? +3544 ATOM C C . TRP A 1 274 ? 30.043 -54.238 -45.128 1.00 47.08 ? 284 TRP A C 1 ? ? +3545 ATOM O O . TRP A 1 274 ? 30.572 -53.610 -46.040 1.00 47.00 ? 284 TRP A O 1 ? ? +3546 ATOM N N A PHE A 1 275 ? 28.921 -54.957 -45.286 0.40 47.11 ? 285 PHE A N 1 ? ? +3547 ATOM N N B PHE A 1 275 ? 28.921 -54.952 -45.293 0.60 47.11 ? 285 PHE A N 1 ? ? +3548 ATOM C CA A PHE A 1 275 ? 28.216 -55.006 -46.559 0.40 47.08 ? 285 PHE A CA 1 ? ? +3549 ATOM C CA B PHE A 1 275 ? 28.235 -54.995 -46.577 0.60 47.08 ? 285 PHE A CA 1 ? ? +3550 ATOM C C A PHE A 1 275 ? 27.725 -53.634 -47.007 0.40 46.45 ? 285 PHE A C 1 ? ? +3551 ATOM C C B PHE A 1 275 ? 27.732 -53.623 -47.014 0.60 46.37 ? 285 PHE A C 1 ? ? +3552 ATOM O O A PHE A 1 275 ? 27.745 -53.324 -48.193 0.40 46.43 ? 285 PHE A O 1 ? ? +3553 ATOM O O B PHE A 1 275 ? 27.763 -53.302 -48.196 0.60 46.34 ? 285 PHE A O 1 ? ? +3554 ATOM C CB A PHE A 1 275 ? 27.039 -55.985 -46.507 0.40 47.35 ? 285 PHE A CB 1 ? ? +3555 ATOM C CB B PHE A 1 275 ? 27.083 -56.007 -46.563 0.60 47.41 ? 285 PHE A CB 1 ? ? +3556 ATOM C CG A PHE A 1 275 ? 27.483 -57.414 -46.681 0.40 48.04 ? 285 PHE A CG 1 ? ? +3557 ATOM C CG B PHE A 1 275 ? 27.584 -57.421 -46.703 0.60 48.17 ? 285 PHE A CG 1 ? ? +3558 ATOM C CD1 A PHE A 1 275 ? 28.147 -57.812 -47.824 0.40 48.43 ? 285 PHE A CD1 1 ? ? +3559 ATOM C CD1 B PHE A 1 275 ? 28.278 -57.816 -47.830 0.60 48.60 ? 285 PHE A CD1 1 ? ? +3560 ATOM C CD2 A PHE A 1 275 ? 27.250 -58.352 -45.695 0.40 48.39 ? 285 PHE A CD2 1 ? ? +3561 ATOM C CD2 B PHE A 1 275 ? 27.390 -58.345 -45.694 0.60 48.57 ? 285 PHE A CD2 1 ? ? +3562 ATOM C CE1 A PHE A 1 275 ? 28.567 -59.121 -47.979 0.40 49.01 ? 285 PHE A CE1 1 ? ? +3563 ATOM C CE1 B PHE A 1 275 ? 28.763 -59.108 -47.951 0.60 49.24 ? 285 PHE A CE1 1 ? ? +3564 ATOM C CE2 A PHE A 1 275 ? 27.662 -59.664 -45.856 0.40 48.97 ? 285 PHE A CE2 1 ? ? +3565 ATOM C CE2 B PHE A 1 275 ? 27.862 -59.643 -45.821 0.60 49.19 ? 285 PHE A CE2 1 ? ? +3566 ATOM C CZ A PHE A 1 275 ? 28.324 -60.040 -46.995 0.40 49.29 ? 285 PHE A CZ 1 ? ? +3567 ATOM C CZ B PHE A 1 275 ? 28.555 -60.015 -46.946 0.60 49.52 ? 285 PHE A CZ 1 ? ? +3568 ATOM N N A ALA A 1 276 ? 27.303 -52.809 -46.052 0.40 45.95 ? 286 ALA A N 1 ? ? +3569 ATOM N N B ALA A 1 276 ? 27.303 -52.806 -46.054 0.60 45.80 ? 286 ALA A N 1 ? ? +3570 ATOM C CA A ALA A 1 276 ? 26.922 -51.447 -46.372 0.40 45.46 ? 286 ALA A CA 1 ? ? +3571 ATOM C CA B ALA A 1 276 ? 26.925 -51.441 -46.368 0.60 45.28 ? 286 ALA A CA 1 ? ? +3572 ATOM C C A ALA A 1 276 ? 28.123 -50.710 -46.956 0.40 45.39 ? 286 ALA A C 1 ? ? +3573 ATOM C C B ALA A 1 276 ? 28.124 -50.692 -46.939 0.60 45.17 ? 286 ALA A C 1 ? ? +3574 ATOM O O A ALA A 1 276 ? 28.057 -50.159 -48.051 0.40 45.29 ? 286 ALA A O 1 ? ? +3575 ATOM O O B ALA A 1 276 ? 28.047 -50.117 -48.019 0.60 45.05 ? 286 ALA A O 1 ? ? +3576 ATOM C CB A ALA A 1 276 ? 26.397 -50.737 -45.139 0.40 45.13 ? 286 ALA A CB 1 ? ? +3577 ATOM C CB B ALA A 1 276 ? 26.385 -50.742 -45.134 0.60 44.96 ? 286 ALA A CB 1 ? ? +3578 ATOM N N A ALA A 1 277 ? 29.238 -50.734 -46.217 0.40 45.48 ? 287 ALA A N 1 ? ? +3579 ATOM N N B ALA A 1 277 ? 29.247 -50.732 -46.211 0.60 45.24 ? 287 ALA A N 1 ? ? +3580 ATOM C CA A ALA A 1 277 ? 30.469 -50.097 -46.658 0.40 45.51 ? 287 ALA A CA 1 ? ? +3581 ATOM C CA B ALA A 1 277 ? 30.482 -50.103 -46.659 0.60 45.25 ? 287 ALA A CA 1 ? ? +3582 ATOM C C A ALA A 1 277 ? 30.894 -50.582 -48.040 0.40 45.73 ? 287 ALA A C 1 ? ? +3583 ATOM C C B ALA A 1 277 ? 30.902 -50.590 -48.041 0.60 45.44 ? 287 ALA A C 1 ? ? +3584 ATOM O O A ALA A 1 277 ? 31.308 -49.793 -48.884 0.40 45.65 ? 287 ALA A O 1 ? ? +3585 ATOM O O B ALA A 1 277 ? 31.323 -49.799 -48.881 0.60 45.35 ? 287 ALA A O 1 ? ? +3586 ATOM C CB A ALA A 1 277 ? 31.572 -50.352 -45.654 0.40 45.75 ? 287 ALA A CB 1 ? ? +3587 ATOM C CB B ALA A 1 277 ? 31.584 -50.355 -45.655 0.60 45.49 ? 287 ALA A CB 1 ? ? +3588 ATOM N N A LEU A 1 278 ? 30.777 -51.891 -48.269 0.40 46.00 ? 288 LEU A N 1 ? ? +3589 ATOM N N B LEU A 1 278 ? 30.757 -51.896 -48.278 0.60 45.68 ? 288 LEU A N 1 ? ? +3590 ATOM C CA A LEU A 1 278 ? 31.190 -52.465 -49.536 0.40 46.31 ? 288 LEU A CA 1 ? ? +3591 ATOM C CA B LEU A 1 278 ? 31.148 -52.478 -49.551 0.60 45.98 ? 288 LEU A CA 1 ? ? +3592 ATOM C C A LEU A 1 278 ? 30.262 -52.008 -50.656 0.40 46.08 ? 288 LEU A C 1 ? ? +3593 ATOM C C B LEU A 1 278 ? 30.198 -52.083 -50.676 0.60 45.77 ? 288 LEU A C 1 ? ? +3594 ATOM O O A LEU A 1 278 ? 30.709 -51.777 -51.780 0.40 46.23 ? 288 LEU A O 1 ? ? +3595 ATOM O O B LEU A 1 278 ? 30.611 -52.002 -51.834 0.60 45.96 ? 288 LEU A O 1 ? ? +3596 ATOM C CB A LEU A 1 278 ? 31.253 -53.986 -49.422 0.40 46.71 ? 288 LEU A CB 1 ? ? +3597 ATOM C CB B LEU A 1 278 ? 31.241 -53.992 -49.427 0.60 46.39 ? 288 LEU A CB 1 ? ? +3598 ATOM C CG A LEU A 1 278 ? 32.435 -54.488 -48.577 0.40 47.06 ? 288 LEU A CG 1 ? ? +3599 ATOM C CG B LEU A 1 278 ? 32.422 -54.487 -48.577 0.60 46.72 ? 288 LEU A CG 1 ? ? +3600 ATOM C CD1 A LEU A 1 278 ? 32.439 -55.992 -48.467 0.40 47.48 ? 288 LEU A CD1 1 ? ? +3601 ATOM C CD1 B LEU A 1 278 ? 32.428 -55.991 -48.484 0.60 47.15 ? 288 LEU A CD1 1 ? ? +3602 ATOM C CD2 A LEU A 1 278 ? 33.762 -54.000 -49.140 0.40 47.27 ? 288 LEU A CD2 1 ? ? +3603 ATOM C CD2 B LEU A 1 278 ? 33.758 -53.989 -49.117 0.60 46.92 ? 288 LEU A CD2 1 ? ? +3604 ATOM N N A GLY A 1 279 ? 28.975 -51.842 -50.325 0.40 45.74 ? 289 GLY A N 1 ? ? +3605 ATOM N N B GLY A 1 279 ? 28.931 -51.823 -50.329 0.60 45.40 ? 289 GLY A N 1 ? ? +3606 ATOM C CA A GLY A 1 279 ? 27.998 -51.349 -51.281 0.40 45.51 ? 289 GLY A CA 1 ? ? +3607 ATOM C CA B GLY A 1 279 ? 27.966 -51.335 -51.299 0.60 45.17 ? 289 GLY A CA 1 ? ? +3608 ATOM C C A GLY A 1 279 ? 28.395 -49.994 -51.857 0.40 45.29 ? 289 GLY A C 1 ? ? +3609 ATOM C C B GLY A 1 279 ? 28.375 -49.985 -51.876 0.60 44.96 ? 289 GLY A C 1 ? ? +3610 ATOM O O A GLY A 1 279 ? 28.467 -49.822 -53.072 0.40 45.37 ? 289 GLY A O 1 ? ? +3611 ATOM O O B GLY A 1 279 ? 28.451 -49.815 -53.091 0.60 45.04 ? 289 GLY A O 1 ? ? +3612 ATOM N N A ILE A 1 280 ? 28.641 -49.033 -50.964 0.40 45.02 ? 290 ILE A N 1 ? ? +3613 ATOM N N B ILE A 1 280 ? 28.639 -49.032 -50.981 0.60 44.68 ? 290 ILE A N 1 ? ? +3614 ATOM C CA A ILE A 1 280 ? 29.116 -47.726 -51.377 0.40 44.91 ? 290 ILE A CA 1 ? ? +3615 ATOM C CA B ILE A 1 280 ? 29.091 -47.713 -51.385 0.60 44.56 ? 290 ILE A CA 1 ? ? +3616 ATOM C C A ILE A 1 280 ? 30.424 -47.879 -52.151 0.40 45.31 ? 290 ILE A C 1 ? ? +3617 ATOM C C B ILE A 1 280 ? 30.417 -47.816 -52.136 0.60 44.96 ? 290 ILE A C 1 ? ? +3618 ATOM O O A ILE A 1 280 ? 30.597 -47.270 -53.204 0.40 45.36 ? 290 ILE A O 1 ? ? +3619 ATOM O O B ILE A 1 280 ? 30.612 -47.129 -53.137 0.60 44.99 ? 290 ILE A O 1 ? ? +3620 ATOM C CB A ILE A 1 280 ? 29.283 -46.789 -50.164 0.40 44.62 ? 290 ILE A CB 1 ? ? +3621 ATOM C CB B ILE A 1 280 ? 29.201 -46.781 -50.161 0.60 44.27 ? 290 ILE A CB 1 ? ? +3622 ATOM C CG1 A ILE A 1 280 ? 27.972 -46.645 -49.375 0.40 44.28 ? 290 ILE A CG1 1 ? ? +3623 ATOM C CG1 B ILE A 1 280 ? 27.858 -46.644 -49.424 0.60 43.95 ? 290 ILE A CG1 1 ? ? +3624 ATOM C CG2 A ILE A 1 280 ? 29.826 -45.438 -50.602 0.40 44.51 ? 290 ILE A CG2 1 ? ? +3625 ATOM C CG2 B ILE A 1 280 ? 29.746 -45.417 -50.556 0.60 44.16 ? 290 ILE A CG2 1 ? ? +3626 ATOM C CD1 A ILE A 1 280 ? 26.836 -46.087 -50.171 0.40 44.06 ? 290 ILE A CD1 1 ? ? +3627 ATOM C CD1 B ILE A 1 280 ? 26.755 -46.079 -50.254 0.60 43.73 ? 290 ILE A CD1 1 ? ? +3628 ATOM N N A SER A 1 281 ? 31.333 -48.714 -51.631 0.40 45.67 ? 291 SER A N 1 ? ? +3629 ATOM N N B SER A 1 281 ? 31.314 -48.688 -51.655 0.60 45.31 ? 291 SER A N 1 ? ? +3630 ATOM C CA A SER A 1 281 ? 32.660 -48.835 -52.212 0.40 46.09 ? 291 SER A CA 1 ? ? +3631 ATOM C CA B SER A 1 281 ? 32.638 -48.812 -52.241 0.60 45.74 ? 291 SER A CA 1 ? ? +3632 ATOM C C A SER A 1 281 ? 32.621 -49.472 -53.599 0.40 46.41 ? 291 SER A C 1 ? ? +3633 ATOM C C B SER A 1 281 ? 32.611 -49.462 -53.624 0.60 46.06 ? 291 SER A C 1 ? ? +3634 ATOM O O A SER A 1 281 ? 33.536 -49.269 -54.398 0.40 46.71 ? 291 SER A O 1 ? ? +3635 ATOM O O B SER A 1 281 ? 33.522 -49.233 -54.422 0.60 46.35 ? 291 SER A O 1 ? ? +3636 ATOM C CB A SER A 1 281 ? 33.602 -49.633 -51.304 0.40 46.39 ? 291 SER A CB 1 ? ? +3637 ATOM C CB B SER A 1 281 ? 33.581 -49.590 -51.317 0.60 46.04 ? 291 SER A CB 1 ? ? +3638 ATOM O OG A SER A 1 281 ? 33.934 -48.917 -50.128 0.40 46.19 ? 291 SER A OG 1 ? ? +3639 ATOM O OG B SER A 1 281 ? 33.857 -48.866 -50.131 0.60 45.82 ? 291 SER A OG 1 ? ? +3640 ATOM N N A THR A 1 282 ? 31.577 -50.262 -53.878 0.40 46.40 ? 292 THR A N 1 ? ? +3641 ATOM N N B THR A 1 282 ? 31.591 -50.287 -53.901 0.60 46.05 ? 292 THR A N 1 ? ? +3642 ATOM C CA A THR A 1 282 ? 31.503 -50.942 -55.161 0.40 46.73 ? 292 THR A CA 1 ? ? +3643 ATOM C CA B THR A 1 282 ? 31.500 -50.930 -55.204 0.60 46.38 ? 292 THR A CA 1 ? ? +3644 ATOM C C A THR A 1 282 ? 30.668 -50.142 -56.156 0.40 46.53 ? 292 THR A C 1 ? ? +3645 ATOM C C B THR A 1 282 ? 30.661 -50.111 -56.180 0.60 46.16 ? 292 THR A C 1 ? ? +3646 ATOM O O A THR A 1 282 ? 30.902 -50.195 -57.359 0.40 46.76 ? 292 THR A O 1 ? ? +3647 ATOM O O B THR A 1 282 ? 30.910 -50.126 -57.381 0.60 46.39 ? 292 THR A O 1 ? ? +3648 ATOM C CB A THR A 1 282 ? 30.993 -52.382 -55.009 0.40 46.97 ? 292 THR A CB 1 ? ? +3649 ATOM C CB B THR A 1 282 ? 30.973 -52.365 -55.097 0.60 46.62 ? 292 THR A CB 1 ? ? +3650 ATOM O OG1 A THR A 1 282 ? 29.702 -52.403 -54.370 0.40 46.67 ? 292 THR A OG1 1 ? ? +3651 ATOM O OG1 B THR A 1 282 ? 29.682 -52.384 -54.451 0.60 46.32 ? 292 THR A OG1 1 ? ? +3652 ATOM C CG2 A THR A 1 282 ? 31.963 -53.244 -54.240 0.40 47.28 ? 292 THR A CG2 1 ? ? +3653 ATOM C CG2 B THR A 1 282 ? 31.945 -53.270 -54.378 0.60 46.94 ? 292 THR A CG2 1 ? ? +3654 ATOM N N A MET A 1 283 ? 29.688 -49.403 -55.640 0.40 46.12 ? 293 MET A N 1 ? ? +3655 ATOM N N B MET A 1 283 ? 29.662 -49.400 -55.657 0.60 45.75 ? 293 MET A N 1 ? ? +3656 ATOM C CA A MET A 1 283 ? 28.889 -48.525 -56.475 0.40 45.92 ? 293 MET A CA 1 ? ? +3657 ATOM C CA B MET A 1 283 ? 28.881 -48.483 -56.470 0.60 45.53 ? 293 MET A CA 1 ? ? +3658 ATOM C C A MET A 1 283 ? 29.773 -47.344 -56.876 0.40 45.91 ? 293 MET A C 1 ? ? +3659 ATOM C C B MET A 1 283 ? 29.764 -47.295 -56.862 0.60 45.52 ? 293 MET A C 1 ? ? +3660 ATOM O O A MET A 1 283 ? 29.504 -46.644 -57.854 0.40 45.87 ? 293 MET A O 1 ? ? +3661 ATOM O O B MET A 1 283 ? 29.483 -46.584 -57.828 0.60 45.47 ? 293 MET A O 1 ? ? +3662 ATOM C CB A MET A 1 283 ? 27.604 -48.129 -55.724 0.40 45.50 ? 293 MET A CB 1 ? ? +3663 ATOM C CB B MET A 1 283 ? 27.603 -48.080 -55.711 0.60 45.10 ? 293 MET A CB 1 ? ? +3664 ATOM C CG A MET A 1 283 ? 26.456 -49.083 -56.025 0.40 45.58 ? 293 MET A CG 1 ? ? +3665 ATOM C CG B MET A 1 283 ? 26.463 -49.053 -55.975 0.60 45.18 ? 293 MET A CG 1 ? ? +3666 ATOM S SD A MET A 1 283 ? 24.917 -48.835 -55.079 0.40 45.18 ? 293 MET A SD 1 ? ? +3667 ATOM S SD B MET A 1 283 ? 24.936 -48.802 -55.008 0.60 44.78 ? 293 MET A SD 1 ? ? +3668 ATOM C CE A MET A 1 283 ? 25.441 -49.321 -53.436 0.40 45.12 ? 293 MET A CE 1 ? ? +3669 ATOM C CE B MET A 1 283 ? 25.478 -49.311 -53.388 0.60 44.72 ? 293 MET A CE 1 ? ? +3670 ATOM N N A ALA A 1 284 ? 30.867 -47.165 -56.128 0.40 45.98 ? 294 ALA A N 1 ? ? +3671 ATOM N N B ALA A 1 284 ? 30.865 -47.115 -56.123 0.60 45.60 ? 294 ALA A N 1 ? ? +3672 ATOM C CA A ALA A 1 284 ? 31.866 -46.167 -56.468 0.40 46.09 ? 294 ALA A CA 1 ? ? +3673 ATOM C CA B ALA A 1 284 ? 31.898 -46.165 -56.501 0.60 45.73 ? 294 ALA A CA 1 ? ? +3674 ATOM C C A ALA A 1 284 ? 32.494 -46.482 -57.824 0.40 46.52 ? 294 ALA A C 1 ? ? +3675 ATOM C C B ALA A 1 284 ? 32.487 -46.466 -57.878 0.60 46.14 ? 294 ALA A C 1 ? ? +3676 ATOM O O A ALA A 1 284 ? 33.057 -45.607 -58.475 0.40 46.59 ? 294 ALA A O 1 ? ? +3677 ATOM O O B ALA A 1 284 ? 32.962 -45.566 -58.563 0.60 46.21 ? 294 ALA A O 1 ? ? +3678 ATOM C CB A ALA A 1 284 ? 32.929 -46.096 -55.390 0.40 46.17 ? 294 ALA A CB 1 ? ? +3679 ATOM C CB B ALA A 1 284 ? 32.992 -46.155 -55.456 0.60 45.83 ? 294 ALA A CB 1 ? ? +3680 ATOM N N A PHE A 1 285 ? 32.381 -47.741 -58.249 0.40 46.83 ? 295 PHE A N 1 ? ? +3681 ATOM N N B PHE A 1 285 ? 32.437 -47.736 -58.284 0.60 46.47 ? 295 PHE A N 1 ? ? +3682 ATOM C CA A PHE A 1 285 ? 32.838 -48.144 -59.567 0.40 47.29 ? 295 PHE A CA 1 ? ? +3683 ATOM C CA B PHE A 1 285 ? 32.860 -48.138 -59.615 0.60 46.94 ? 295 PHE A CA 1 ? ? +3684 ATOM C C A PHE A 1 285 ? 31.634 -48.545 -60.418 0.40 47.29 ? 295 PHE A C 1 ? ? +3685 ATOM C C B PHE A 1 285 ? 31.657 -48.514 -60.481 0.60 46.93 ? 295 PHE A C 1 ? ? +3686 ATOM O O A PHE A 1 285 ? 31.738 -49.389 -61.306 0.40 47.58 ? 295 PHE A O 1 ? ? +3687 ATOM O O B PHE A 1 285 ? 31.773 -49.309 -61.411 0.60 47.23 ? 295 PHE A O 1 ? ? +3688 ATOM C CB A PHE A 1 285 ? 33.868 -49.274 -59.445 0.40 47.77 ? 295 PHE A CB 1 ? ? +3689 ATOM C CB B PHE A 1 285 ? 33.859 -49.292 -59.487 0.60 47.41 ? 295 PHE A CB 1 ? ? +3690 ATOM C CG A PHE A 1 285 ? 35.013 -48.932 -58.530 0.40 47.85 ? 295 PHE A CG 1 ? ? +3691 ATOM C CG B PHE A 1 285 ? 34.972 -48.976 -58.527 0.60 47.48 ? 295 PHE A CG 1 ? ? +3692 ATOM C CD1 A PHE A 1 285 ? 36.037 -48.102 -58.953 0.40 48.07 ? 295 PHE A CD1 1 ? ? +3693 ATOM C CD1 B PHE A 1 285 ? 35.960 -48.065 -58.861 0.60 47.66 ? 295 PHE A CD1 1 ? ? +3694 ATOM C CD2 A PHE A 1 285 ? 35.051 -49.412 -57.234 0.40 47.78 ? 295 PHE A CD2 1 ? ? +3695 ATOM C CD2 B PHE A 1 285 ? 35.014 -49.558 -57.271 0.60 47.44 ? 295 PHE A CD2 1 ? ? +3696 ATOM C CE1 A PHE A 1 285 ? 37.093 -47.787 -58.106 0.40 48.16 ? 295 PHE A CE1 1 ? ? +3697 ATOM C CE1 B PHE A 1 285 ? 36.992 -47.770 -57.972 0.60 47.74 ? 295 PHE A CE1 1 ? ? +3698 ATOM C CE2 A PHE A 1 285 ? 36.108 -49.090 -56.388 0.40 47.87 ? 295 PHE A CE2 1 ? ? +3699 ATOM C CE2 B PHE A 1 285 ? 36.047 -49.256 -56.381 0.60 47.52 ? 295 PHE A CE2 1 ? ? +3700 ATOM C CZ A PHE A 1 285 ? 37.119 -48.279 -56.830 0.40 48.06 ? 295 PHE A CZ 1 ? ? +3701 ATOM C CZ B PHE A 1 285 ? 37.025 -48.362 -56.739 0.60 47.67 ? 295 PHE A CZ 1 ? ? +3702 ATOM N N A ASN A 1 286 ? 30.485 -47.929 -60.103 0.40 46.94 ? 296 ASN A N 1 ? ? +3703 ATOM N N B ASN A 1 286 ? 30.497 -47.927 -60.138 0.60 46.60 ? 296 ASN A N 1 ? ? +3704 ATOM C CA A ASN A 1 286 ? 29.306 -47.955 -60.954 0.40 46.91 ? 296 ASN A CA 1 ? ? +3705 ATOM C CA B ASN A 1 286 ? 29.296 -47.945 -60.958 0.60 46.57 ? 296 ASN A CA 1 ? ? +3706 ATOM C C A ASN A 1 286 ? 28.819 -49.361 -61.282 0.40 47.21 ? 296 ASN A C 1 ? ? +3707 ATOM C C B ASN A 1 286 ? 28.752 -49.334 -61.274 0.60 46.86 ? 296 ASN A C 1 ? ? +3708 ATOM O O A ASN A 1 286 ? 28.424 -49.640 -62.411 0.40 47.44 ? 296 ASN A O 1 ? ? +3709 ATOM O O B ASN A 1 286 ? 28.206 -49.560 -62.352 0.60 47.07 ? 296 ASN A O 1 ? ? +3710 ATOM C CB A ASN A 1 286 ? 29.581 -47.223 -62.248 0.40 47.10 ? 296 ASN A CB 1 ? ? +3711 ATOM C CB B ASN A 1 286 ? 29.547 -47.213 -62.257 0.60 46.75 ? 296 ASN A CB 1 ? ? +3712 ATOM C CG A ASN A 1 286 ? 30.015 -45.820 -62.015 0.40 46.89 ? 296 ASN A CG 1 ? ? +3713 ATOM C CG B ASN A 1 286 ? 30.035 -45.824 -62.053 0.60 46.57 ? 296 ASN A CG 1 ? ? +3714 ATOM O OD1 A ASN A 1 286 ? 29.628 -45.196 -61.028 0.40 46.53 ? 296 ASN A OD1 1 ? ? +3715 ATOM O OD1 B ASN A 1 286 ? 29.661 -45.160 -61.091 0.60 46.20 ? 296 ASN A OD1 1 ? ? +3716 ATOM N ND2 A ASN A 1 286 ? 30.858 -45.314 -62.892 0.40 47.18 ? 296 ASN A ND2 1 ? ? +3717 ATOM N ND2 B ASN A 1 286 ? 30.898 -45.362 -62.932 0.60 46.87 ? 296 ASN A ND2 1 ? ? +3718 ATOM N N A LEU A 1 287 ? 28.880 -50.246 -60.288 0.40 47.24 ? 297 LEU A N 1 ? ? +3719 ATOM N N B LEU A 1 287 ? 28.906 -50.260 -60.324 0.60 46.94 ? 297 LEU A N 1 ? ? +3720 ATOM C CA A LEU A 1 287 ? 28.184 -51.513 -60.369 0.40 47.46 ? 297 LEU A CA 1 ? ? +3721 ATOM C CA B LEU A 1 287 ? 28.194 -51.520 -60.384 0.60 47.17 ? 297 LEU A CA 1 ? ? +3722 ATOM C C A LEU A 1 287 ? 26.939 -51.325 -59.509 0.40 47.09 ? 297 LEU A C 1 ? ? +3723 ATOM C C B LEU A 1 287 ? 26.960 -51.318 -59.512 0.60 46.82 ? 297 LEU A C 1 ? ? +3724 ATOM O O A LEU A 1 287 ? 26.978 -51.526 -58.299 0.40 46.95 ? 297 LEU A O 1 ? ? +3725 ATOM O O B LEU A 1 287 ? 27.028 -51.432 -58.290 0.60 46.66 ? 297 LEU A O 1 ? ? +3726 ATOM C CB A LEU A 1 287 ? 29.060 -52.666 -59.891 0.40 47.79 ? 297 LEU A CB 1 ? ? +3727 ATOM C CB B LEU A 1 287 ? 29.065 -52.682 -59.919 0.60 47.51 ? 297 LEU A CB 1 ? ? +3728 ATOM C CG A LEU A 1 287 ? 28.435 -54.041 -60.042 0.40 48.07 ? 297 LEU A CG 1 ? ? +3729 ATOM C CG B LEU A 1 287 ? 28.435 -54.054 -60.066 0.60 47.79 ? 297 LEU A CG 1 ? ? +3730 ATOM C CD1 A LEU A 1 287 ? 28.094 -54.328 -61.500 0.40 48.36 ? 297 LEU A CD1 1 ? ? +3731 ATOM C CD1 B LEU A 1 287 ? 28.101 -54.363 -61.529 0.60 48.08 ? 297 LEU A CD1 1 ? ? +3732 ATOM C CD2 A LEU A 1 287 ? 29.351 -55.116 -59.477 0.40 48.39 ? 297 LEU A CD2 1 ? ? +3733 ATOM C CD2 B LEU A 1 287 ? 29.357 -55.125 -59.490 0.60 48.11 ? 297 LEU A CD2 1 ? ? +3734 ATOM N N A ASN A 1 288 ? 25.848 -50.898 -60.150 0.40 46.98 ? 298 ASN A N 1 ? ? +3735 ATOM N N B ASN A 1 288 ? 25.840 -50.979 -60.160 0.60 46.76 ? 298 ASN A N 1 ? ? +3736 ATOM C CA A ASN A 1 288 ? 24.715 -50.343 -59.425 0.40 46.58 ? 298 ASN A CA 1 ? ? +3737 ATOM C CA B ASN A 1 288 ? 24.695 -50.408 -59.465 0.60 46.39 ? 298 ASN A CA 1 ? ? +3738 ATOM C C A ASN A 1 288 ? 23.633 -51.359 -59.068 0.40 46.57 ? 298 ASN A C 1 ? ? +3739 ATOM C C B ASN A 1 288 ? 23.603 -51.410 -59.104 0.60 46.37 ? 298 ASN A C 1 ? ? +3740 ATOM O O A ASN A 1 288 ? 23.792 -52.557 -59.274 0.40 46.87 ? 298 ASN A O 1 ? ? +3741 ATOM O O B ASN A 1 288 ? 23.698 -52.590 -59.417 0.60 46.68 ? 298 ASN A O 1 ? ? +3742 ATOM C CB A ASN A 1 288 ? 24.109 -49.194 -60.228 0.40 46.46 ? 298 ASN A CB 1 ? ? +3743 ATOM C CB B ASN A 1 288 ? 24.115 -49.281 -60.309 0.60 46.29 ? 298 ASN A CB 1 ? ? +3744 ATOM C CG A ASN A 1 288 ? 25.077 -48.050 -60.460 0.40 46.42 ? 298 ASN A CG 1 ? ? +3745 ATOM C CG B ASN A 1 288 ? 25.141 -48.228 -60.646 0.60 46.31 ? 298 ASN A CG 1 ? ? +3746 ATOM O OD1 A ASN A 1 288 ? 25.622 -47.435 -59.533 0.40 46.20 ? 298 ASN A OD1 1 ? ? +3747 ATOM O OD1 B ASN A 1 288 ? 26.008 -47.875 -59.850 0.60 46.22 ? 298 ASN A OD1 1 ? ? +3748 ATOM N ND2 A ASN A 1 288 ? 25.299 -47.727 -61.715 0.40 46.68 ? 298 ASN A ND2 1 ? ? +3749 ATOM N ND2 B ASN A 1 288 ? 25.069 -47.708 -61.848 0.60 46.51 ? 298 ASN A ND2 1 ? ? +3750 ATOM N N A GLY A 1 289 ? 22.531 -50.852 -58.507 0.40 46.23 ? 299 GLY A N 1 ? ? +3751 ATOM N N B GLY A 1 289 ? 22.568 -50.916 -58.416 0.60 46.04 ? 299 GLY A N 1 ? ? +3752 ATOM C CA A GLY A 1 289 ? 21.432 -51.693 -58.056 0.40 46.23 ? 299 GLY A CA 1 ? ? +3753 ATOM C CA B GLY A 1 289 ? 21.452 -51.749 -57.989 0.60 46.07 ? 299 GLY A CA 1 ? ? +3754 ATOM C C A GLY A 1 289 ? 20.722 -52.437 -59.183 0.40 46.51 ? 299 GLY A C 1 ? ? +3755 ATOM C C B GLY A 1 289 ? 20.717 -52.434 -59.136 0.60 46.34 ? 299 GLY A C 1 ? ? +3756 ATOM O O A GLY A 1 289 ? 20.845 -52.080 -60.348 0.40 46.61 ? 299 GLY A O 1 ? ? +3757 ATOM O O B GLY A 1 289 ? 20.809 -52.009 -60.279 0.60 46.41 ? 299 GLY A O 1 ? ? +3758 ATOM N N A PHE A 1 290 ? 19.989 -53.491 -58.820 0.40 46.67 ? 300 PHE A N 1 ? ? +3759 ATOM N N B PHE A 1 290 ? 20.001 -53.511 -58.813 0.60 46.54 ? 300 PHE A N 1 ? ? +3760 ATOM C CA A PHE A 1 290 ? 19.141 -54.187 -59.775 0.40 46.99 ? 300 PHE A CA 1 ? ? +3761 ATOM C CA B PHE A 1 290 ? 19.157 -54.192 -59.785 0.60 46.88 ? 300 PHE A CA 1 ? ? +3762 ATOM C C A PHE A 1 290 ? 18.302 -53.210 -60.592 0.40 46.81 ? 300 PHE A C 1 ? ? +3763 ATOM C C B PHE A 1 290 ? 18.306 -53.218 -60.595 0.60 46.71 ? 300 PHE A C 1 ? ? +3764 ATOM O O A PHE A 1 290 ? 17.696 -52.295 -60.044 0.40 46.42 ? 300 PHE A O 1 ? ? +3765 ATOM O O B PHE A 1 290 ? 17.708 -52.305 -60.038 0.60 46.30 ? 300 PHE A O 1 ? ? +3766 ATOM C CB A PHE A 1 290 ? 18.196 -55.177 -59.088 0.40 47.13 ? 300 PHE A CB 1 ? ? +3767 ATOM C CB B PHE A 1 290 ? 18.214 -55.199 -59.115 0.60 47.05 ? 300 PHE A CB 1 ? ? +3768 ATOM C CG A PHE A 1 290 ? 18.893 -56.400 -58.564 0.40 47.42 ? 300 PHE A CG 1 ? ? +3769 ATOM C CG B PHE A 1 290 ? 18.908 -56.433 -58.609 0.60 47.36 ? 300 PHE A CG 1 ? ? +3770 ATOM C CD1 A PHE A 1 290 ? 19.601 -57.230 -59.413 0.40 47.83 ? 300 PHE A CD1 1 ? ? +3771 ATOM C CD1 B PHE A 1 290 ? 19.603 -57.261 -59.473 0.60 47.79 ? 300 PHE A CD1 1 ? ? +3772 ATOM C CD2 A PHE A 1 290 ? 18.852 -56.716 -57.220 0.40 47.32 ? 300 PHE A CD2 1 ? ? +3773 ATOM C CD2 B PHE A 1 290 ? 18.872 -56.765 -57.267 0.60 47.27 ? 300 PHE A CD2 1 ? ? +3774 ATOM C CE1 A PHE A 1 290 ? 20.253 -58.353 -58.924 0.40 48.12 ? 300 PHE A CE1 1 ? ? +3775 ATOM C CE1 B PHE A 1 290 ? 20.253 -58.394 -59.002 0.60 48.08 ? 300 PHE A CE1 1 ? ? +3776 ATOM C CE2 A PHE A 1 290 ? 19.500 -57.841 -56.737 0.40 47.60 ? 300 PHE A CE2 1 ? ? +3777 ATOM C CE2 B PHE A 1 290 ? 19.516 -57.903 -56.801 0.60 47.57 ? 300 PHE A CE2 1 ? ? +3778 ATOM C CZ A PHE A 1 290 ? 20.198 -58.652 -57.590 0.40 48.00 ? 300 PHE A CZ 1 ? ? +3779 ATOM C CZ B PHE A 1 290 ? 20.206 -58.709 -57.669 0.60 47.98 ? 300 PHE A CZ 1 ? ? +3780 ATOM N N A ASN A 1 291 ? 18.300 -53.427 -61.909 0.40 47.11 ? 301 ASN A N 1 ? ? +3781 ATOM N N B ASN A 1 291 ? 18.299 -53.432 -61.913 0.60 47.02 ? 301 ASN A N 1 ? ? +3782 ATOM C CA A ASN A 1 291 ? 17.507 -52.635 -62.827 0.40 47.11 ? 301 ASN A CA 1 ? ? +3783 ATOM C CA B ASN A 1 291 ? 17.514 -52.641 -62.836 0.60 47.06 ? 301 ASN A CA 1 ? ? +3784 ATOM C C A ASN A 1 291 ? 16.442 -53.511 -63.479 0.40 47.48 ? 301 ASN A C 1 ? ? +3785 ATOM C C B ASN A 1 291 ? 16.443 -53.519 -63.477 0.60 47.44 ? 301 ASN A C 1 ? ? +3786 ATOM O O A ASN A 1 291 ? 16.745 -54.327 -64.345 0.40 47.86 ? 301 ASN A O 1 ? ? +3787 ATOM O O B ASN A 1 291 ? 16.741 -54.331 -64.346 0.60 47.82 ? 301 ASN A O 1 ? ? +3788 ATOM C CB A ASN A 1 291 ? 18.380 -51.974 -63.881 0.40 47.19 ? 301 ASN A CB 1 ? ? +3789 ATOM C CB B ASN A 1 291 ? 18.391 -51.996 -63.896 0.60 47.14 ? 301 ASN A CB 1 ? ? +3790 ATOM C CG A ASN A 1 291 ? 17.556 -51.169 -64.844 0.40 47.24 ? 301 ASN A CG 1 ? ? +3791 ATOM C CG B ASN A 1 291 ? 17.569 -51.204 -64.877 0.60 47.21 ? 301 ASN A CG 1 ? ? +3792 ATOM O OD1 A ASN A 1 291 ? 16.342 -51.345 -64.937 0.40 47.33 ? 301 ASN A OD1 1 ? ? +3793 ATOM O OD1 B ASN A 1 291 ? 16.367 -51.412 -65.012 0.60 47.32 ? 301 ASN A OD1 1 ? ? +3794 ATOM N ND2 A ASN A 1 291 ? 18.178 -50.286 -65.590 0.40 47.23 ? 301 ASN A ND2 1 ? ? +3795 ATOM N ND2 B ASN A 1 291 ? 18.185 -50.302 -65.604 0.60 47.19 ? 301 ASN A ND2 1 ? ? +3796 ATOM N N . PHE A 1 292 ? 15.194 -53.342 -63.031 1.00 47.37 ? 302 PHE A N 1 ? ? +3797 ATOM C CA . PHE A 1 292 ? 14.067 -54.061 -63.606 1.00 47.76 ? 302 PHE A CA 1 ? ? +3798 ATOM C CB . PHE A 1 292 ? 13.290 -54.834 -62.533 1.00 47.80 ? 302 PHE A CB 1 ? ? +3799 ATOM C CG . PHE A 1 292 ? 14.142 -55.822 -61.789 1.00 47.92 ? 302 PHE A CG 1 ? ? +3800 ATOM C CD1 . PHE A 1 292 ? 14.734 -56.892 -62.450 1.00 48.39 ? 302 PHE A CD1 1 ? ? +3801 ATOM C CD2 . PHE A 1 292 ? 14.389 -55.670 -60.433 1.00 47.62 ? 302 PHE A CD2 1 ? ? +3802 ATOM C CE1 . PHE A 1 292 ? 15.567 -57.788 -61.764 1.00 48.47 ? 302 PHE A CE1 1 ? ? +3803 ATOM C CE2 . PHE A 1 292 ? 15.190 -56.582 -59.748 1.00 47.74 ? 302 PHE A CE2 1 ? ? +3804 ATOM C CZ . PHE A 1 292 ? 15.774 -57.636 -60.417 1.00 48.16 ? 302 PHE A CZ 1 ? ? +3805 ATOM C C . PHE A 1 292 ? 13.147 -53.098 -64.345 1.00 47.76 ? 302 PHE A C 1 ? ? +3806 ATOM O O . PHE A 1 292 ? 11.936 -53.308 -64.382 1.00 47.98 ? 302 PHE A O 1 ? ? +3807 ATOM N N A ASN A 1 293 ? 13.734 -52.058 -64.950 0.40 47.60 ? 303 ASN A N 1 ? ? +3808 ATOM N N B ASN A 1 293 ? 13.732 -52.049 -64.940 0.60 47.60 ? 303 ASN A N 1 ? ? +3809 ATOM C CA A ASN A 1 293 ? 12.969 -51.072 -65.696 0.40 47.58 ? 303 ASN A CA 1 ? ? +3810 ATOM C CA B ASN A 1 293 ? 12.967 -51.071 -65.695 0.60 47.59 ? 303 ASN A CA 1 ? ? +3811 ATOM C C A ASN A 1 293 ? 12.435 -51.684 -66.989 0.40 48.07 ? 303 ASN A C 1 ? ? +3812 ATOM C C B ASN A 1 293 ? 12.435 -51.686 -66.987 0.60 48.08 ? 303 ASN A C 1 ? ? +3813 ATOM O O A ASN A 1 293 ? 13.213 -52.081 -67.855 0.40 48.36 ? 303 ASN A O 1 ? ? +3814 ATOM O O B ASN A 1 293 ? 13.216 -52.079 -67.853 0.60 48.39 ? 303 ASN A O 1 ? ? +3815 ATOM C CB A ASN A 1 293 ? 13.816 -49.839 -65.982 0.40 47.32 ? 303 ASN A CB 1 ? ? +3816 ATOM C CB B ASN A 1 293 ? 13.807 -49.839 -65.992 0.60 47.33 ? 303 ASN A CB 1 ? ? +3817 ATOM C CG A ASN A 1 293 ? 14.304 -49.156 -64.729 0.40 46.85 ? 303 ASN A CG 1 ? ? +3818 ATOM C CG B ASN A 1 293 ? 14.273 -49.138 -64.742 0.60 46.86 ? 303 ASN A CG 1 ? ? +3819 ATOM O OD1 A ASN A 1 293 ? 13.780 -49.359 -63.630 0.40 46.66 ? 303 ASN A OD1 1 ? ? +3820 ATOM O OD1 B ASN A 1 293 ? 13.741 -49.334 -63.650 0.60 46.67 ? 303 ASN A OD1 1 ? ? +3821 ATOM N ND2 A ASN A 1 293 ? 15.318 -48.316 -64.865 0.40 46.69 ? 303 ASN A ND2 1 ? ? +3822 ATOM N ND2 B ASN A 1 293 ? 15.290 -48.301 -64.870 0.60 46.71 ? 303 ASN A ND2 1 ? ? +3823 ATOM N N . HIS A 1 294 ? 11.100 -51.744 -67.096 1.00 48.18 ? 304 HIS A N 1 ? ? +3824 ATOM C CA . HIS A 1 294 ? 10.408 -52.358 -68.221 1.00 48.62 ? 304 HIS A CA 1 ? ? +3825 ATOM C CB . HIS A 1 294 ? 10.691 -51.667 -69.574 1.00 48.66 ? 304 HIS A CB 1 ? ? +3826 ATOM C CG . HIS A 1 294 ? 10.375 -50.203 -69.681 1.00 48.25 ? 304 HIS A CG 1 ? ? +3827 ATOM N ND1 . HIS A 1 294 ? 10.341 -49.574 -70.908 1.00 48.38 ? 304 HIS A ND1 1 ? ? +3828 ATOM C CE1 . HIS A 1 294 ? 10.067 -48.305 -70.661 1.00 48.05 ? 304 HIS A CE1 1 ? ? +3829 ATOM N NE2 . HIS A 1 294 ? 9.928 -48.091 -69.365 1.00 47.63 ? 304 HIS A NE2 1 ? ? +3830 ATOM C CD2 . HIS A 1 294 ? 10.106 -49.290 -68.729 1.00 47.74 ? 304 HIS A CD2 1 ? ? +3831 ATOM C C . HIS A 1 294 ? 10.705 -53.853 -68.356 1.00 49.08 ? 304 HIS A C 1 ? ? +3832 ATOM O O . HIS A 1 294 ? 10.700 -54.389 -69.464 1.00 49.56 ? 304 HIS A O 1 ? ? +3833 ATOM N N . SER A 1 295 ? 10.938 -54.531 -67.226 1.00 49.04 ? 305 SER A N 1 ? ? +3834 ATOM C CA . SER A 1 295 ? 11.157 -55.972 -67.221 1.00 49.50 ? 305 SER A CA 1 ? ? +3835 ATOM C CB . SER A 1 295 ? 11.717 -56.438 -65.878 1.00 49.24 ? 305 SER A CB 1 ? ? +3836 ATOM O OG . SER A 1 295 ? 13.124 -56.312 -65.832 1.00 49.07 ? 305 SER A OG 1 ? ? +3837 ATOM C C . SER A 1 295 ? 9.909 -56.794 -67.544 1.00 50.03 ? 305 SER A C 1 ? ? +3838 ATOM O O . SER A 1 295 ? 10.007 -57.846 -68.167 1.00 50.50 ? 305 SER A O 1 ? ? +3839 ATOM N N . VAL A 1 296 ? 8.746 -56.325 -67.098 1.00 50.03 ? 306 VAL A N 1 ? ? +3840 ATOM C CA . VAL A 1 296 ? 7.494 -56.990 -67.417 1.00 50.60 ? 306 VAL A CA 1 ? ? +3841 ATOM C CB . VAL A 1 296 ? 6.554 -56.986 -66.212 1.00 50.41 ? 306 VAL A CB 1 ? ? +3842 ATOM C CG1 . VAL A 1 296 ? 5.297 -57.788 -66.507 1.00 50.94 ? 306 VAL A CG1 1 ? ? +3843 ATOM C CG2 . VAL A 1 296 ? 7.260 -57.520 -64.966 1.00 50.13 ? 306 VAL A CG2 1 ? ? +3844 ATOM C C . VAL A 1 296 ? 6.835 -56.362 -68.643 1.00 51.02 ? 306 VAL A C 1 ? ? +3845 ATOM O O . VAL A 1 296 ? 6.623 -55.158 -68.690 1.00 50.69 ? 306 VAL A O 1 ? ? +3846 ATOM N N . ILE A 1 297 ? 6.502 -57.217 -69.618 1.00 51.86 ? 307 ILE A N 1 ? ? +3847 ATOM C CA . ILE A 1 297 ? 5.962 -56.838 -70.914 1.00 52.37 ? 307 ILE A CA 1 ? ? +3848 ATOM C CB . ILE A 1 297 ? 7.083 -57.078 -71.966 1.00 52.68 ? 307 ILE A CB 1 ? ? +3849 ATOM C CG1 . ILE A 1 297 ? 8.263 -56.159 -71.779 1.00 52.26 ? 307 ILE A CG1 1 ? ? +3850 ATOM C CG2 . ILE A 1 297 ? 6.616 -56.931 -73.363 1.00 53.20 ? 307 ILE A CG2 1 ? ? +3851 ATOM C CD1 . ILE A 1 297 ? 7.861 -54.675 -71.938 1.00 52.00 ? 307 ILE A CD1 1 ? ? +3852 ATOM C C . ILE A 1 297 ? 4.752 -57.731 -71.166 1.00 53.01 ? 307 ILE A C 1 ? ? +3853 ATOM O O . ILE A 1 297 ? 4.809 -58.902 -70.818 1.00 53.35 ? 307 ILE A O 1 ? ? +3854 ATOM N N . ASP A 1 298 ? 3.688 -57.222 -71.796 1.00 53.36 ? 308 ASP A N 1 ? ? +3855 ATOM C CA . ASP A 1 298 ? 2.517 -58.053 -72.063 1.00 54.07 ? 308 ASP A CA 1 ? ? +3856 ATOM C CB . ASP A 1 298 ? 1.200 -57.240 -72.022 1.00 54.18 ? 308 ASP A CB 1 ? ? +3857 ATOM C CG . ASP A 1 298 ? 0.875 -56.385 -73.232 1.00 54.49 ? 308 ASP A CG 1 ? ? +3858 ATOM O OD1 . ASP A 1 298 ? 1.680 -56.341 -74.155 1.00 54.76 ? 308 ASP A OD1 1 ? ? +3859 ATOM O OD2 . ASP A 1 298 ? -0.199 -55.763 -73.254 1.00 54.75 ? 308 ASP A OD2 1 ? ? +3860 ATOM C C . ASP A 1 298 ? 2.693 -58.770 -73.399 1.00 54.70 ? 308 ASP A C 1 ? ? +3861 ATOM O O . ASP A 1 298 ? 3.748 -58.678 -74.017 1.00 54.62 ? 308 ASP A O 1 ? ? +3862 ATOM N N . ALA A 1 299 ? 1.643 -59.466 -73.846 1.00 55.29 ? 309 ALA A N 1 ? ? +3863 ATOM C CA . ALA A 1 299 ? 1.718 -60.292 -75.038 1.00 55.94 ? 309 ALA A CA 1 ? ? +3864 ATOM C CB . ALA A 1 299 ? 0.444 -61.107 -75.149 1.00 56.60 ? 309 ALA A CB 1 ? ? +3865 ATOM C C . ALA A 1 299 ? 1.952 -59.502 -76.326 1.00 56.09 ? 309 ALA A C 1 ? ? +3866 ATOM O O . ALA A 1 299 ? 2.564 -60.006 -77.263 1.00 56.41 ? 309 ALA A O 1 ? ? +3867 ATOM N N . LYS A 1 300 ? 1.423 -58.278 -76.381 1.00 55.98 ? 310 LYS A N 1 ? ? +3868 ATOM C CA . LYS A 1 300 ? 1.591 -57.399 -77.527 1.00 56.18 ? 310 LYS A CA 1 ? ? +3869 ATOM C CB . LYS A 1 300 ? 0.519 -56.283 -77.510 1.00 56.29 ? 310 LYS A CB 1 ? ? +3870 ATOM C CG . LYS A 1 300 ? 0.566 -55.394 -78.741 1.00 56.66 ? 310 LYS A CG 1 ? ? +3871 ATOM C CD . LYS A 1 300 ? -0.370 -54.235 -78.680 1.00 56.74 ? 310 LYS A CD 1 ? ? +3872 ATOM C CE . LYS A 1 300 ? -0.337 -53.424 -79.949 1.00 57.11 ? 310 LYS A CE 1 ? ? +3873 ATOM N NZ . LYS A 1 300 ? -1.493 -52.489 -80.027 1.00 57.32 ? 310 LYS A NZ 1 ? ? +3874 ATOM C C . LYS A 1 300 ? 2.975 -56.762 -77.523 1.00 55.62 ? 310 LYS A C 1 ? ? +3875 ATOM O O . LYS A 1 300 ? 3.527 -56.478 -78.576 1.00 55.87 ? 310 LYS A O 1 ? ? +3876 ATOM N N . GLY A 1 301 ? 3.506 -56.513 -76.323 1.00 54.96 ? 311 GLY A N 1 ? ? +3877 ATOM C CA . GLY A 1 301 ? 4.745 -55.777 -76.145 1.00 54.40 ? 311 GLY A CA 1 ? ? +3878 ATOM C C . GLY A 1 301 ? 4.609 -54.493 -75.328 1.00 53.75 ? 311 GLY A C 1 ? ? +3879 ATOM O O . GLY A 1 301 ? 5.583 -53.759 -75.185 1.00 53.42 ? 311 GLY A O 1 ? ? +3880 ATOM N N . ASN A 1 302 ? 3.407 -54.212 -74.807 1.00 53.62 ? 312 ASN A N 1 ? ? +3881 ATOM C CA . ASN A 1 302 ? 3.198 -53.069 -73.933 1.00 53.04 ? 312 ASN A CA 1 ? ? +3882 ATOM C CB . ASN A 1 302 ? 1.739 -52.903 -73.527 1.00 53.20 ? 312 ASN A CB 1 ? ? +3883 ATOM C CG . ASN A 1 302 ? 0.792 -52.693 -74.672 1.00 53.77 ? 312 ASN A CG 1 ? ? +3884 ATOM O OD1 . ASN A 1 302 ? 0.807 -51.677 -75.358 1.00 53.78 ? 312 ASN A OD1 1 ? ? +3885 ATOM N ND2 . ASN A 1 302 ? -0.061 -53.661 -74.910 1.00 54.36 ? 312 ASN A ND2 1 ? ? +3886 ATOM C C . ASN A 1 302 ? 4.015 -53.247 -72.660 1.00 52.44 ? 312 ASN A C 1 ? ? +3887 ATOM O O . ASN A 1 302 ? 4.262 -54.370 -72.229 1.00 52.54 ? 312 ASN A O 1 ? ? +3888 ATOM N N . VAL A 1 303 ? 4.412 -52.135 -72.046 1.00 51.87 ? 313 VAL A N 1 ? ? +3889 ATOM C CA . VAL A 1 303 ? 5.141 -52.196 -70.797 1.00 51.40 ? 313 VAL A CA 1 ? ? +3890 ATOM C CB . VAL A 1 303 ? 6.118 -51.013 -70.616 1.00 50.88 ? 313 VAL A CB 1 ? ? +3891 ATOM C CG1 . VAL A 1 303 ? 6.719 -51.002 -69.213 1.00 50.36 ? 313 VAL A CG1 1 ? ? +3892 ATOM C CG2 . VAL A 1 303 ? 7.207 -51.044 -71.684 1.00 51.02 ? 313 VAL A CG2 1 ? ? +3893 ATOM C C . VAL A 1 303 ? 4.108 -52.248 -69.685 1.00 51.31 ? 313 VAL A C 1 ? ? +3894 ATOM O O . VAL A 1 303 ? 3.244 -51.383 -69.627 1.00 51.37 ? 313 VAL A O 1 ? ? +3895 ATOM N N . ILE A 1 304 ? 4.207 -53.272 -68.828 1.00 51.36 ? 314 ILE A N 1 ? ? +3896 ATOM C CA . ILE A 1 304 ? 3.391 -53.374 -67.630 1.00 51.28 ? 314 ILE A CA 1 ? ? +3897 ATOM C CB . ILE A 1 304 ? 2.877 -54.823 -67.384 1.00 51.74 ? 314 ILE A CB 1 ? ? +3898 ATOM C CG1 . ILE A 1 304 ? 2.188 -55.412 -68.604 1.00 52.39 ? 314 ILE A CG1 1 ? ? +3899 ATOM C CG2 . ILE A 1 304 ? 1.977 -54.885 -66.164 1.00 51.68 ? 314 ILE A CG2 1 ? ? +3900 ATOM C CD1 . ILE A 1 304 ? 1.062 -54.551 -69.118 1.00 52.59 ? 314 ILE A CD1 1 ? ? +3901 ATOM C C . ILE A 1 304 ? 4.237 -52.929 -66.449 1.00 50.65 ? 314 ILE A C 1 ? ? +3902 ATOM O O . ILE A 1 304 ? 5.086 -53.690 -66.011 1.00 50.62 ? 314 ILE A O 1 ? ? +3903 ATOM N N . ASN A 1 305 ? 3.989 -51.724 -65.926 1.00 50.24 ? 315 ASN A N 1 ? ? +3904 ATOM C CA . ASN A 1 305 ? 4.813 -51.201 -64.847 1.00 49.71 ? 315 ASN A CA 1 ? ? +3905 ATOM C CB . ASN A 1 305 ? 4.421 -49.761 -64.487 1.00 49.51 ? 315 ASN A CB 1 ? ? +3906 ATOM C CG . ASN A 1 305 ? 4.891 -48.750 -65.478 1.00 49.55 ? 315 ASN A CG 1 ? ? +3907 ATOM O OD1 . ASN A 1 305 ? 5.976 -48.875 -66.050 1.00 49.80 ? 315 ASN A OD1 1 ? ? +3908 ATOM N ND2 . ASN A 1 305 ? 4.118 -47.722 -65.705 1.00 49.54 ? 315 ASN A ND2 1 ? ? +3909 ATOM C C . ASN A 1 305 ? 4.740 -52.049 -63.580 1.00 49.42 ? 315 ASN A C 1 ? ? +3910 ATOM O O . ASN A 1 305 ? 3.678 -52.580 -63.231 1.00 49.77 ? 315 ASN A O 1 ? ? +3911 ATOM N N . THR A 1 306 ? 5.879 -52.145 -62.893 1.00 48.77 ? 316 THR A N 1 ? ? +3912 ATOM C CA . THR A 1 306 ? 5.923 -52.672 -61.545 1.00 48.43 ? 316 THR A CA 1 ? ? +3913 ATOM C CB . THR A 1 306 ? 6.868 -53.859 -61.453 1.00 48.51 ? 316 THR A CB 1 ? ? +3914 ATOM O OG1 . THR A 1 306 ? 8.234 -53.401 -61.634 1.00 48.15 ? 316 THR A OG1 1 ? ? +3915 ATOM C CG2 . THR A 1 306 ? 6.481 -54.953 -62.444 1.00 49.04 ? 316 THR A CG2 1 ? ? +3916 ATOM C C . THR A 1 306 ? 6.324 -51.522 -60.633 1.00 47.80 ? 316 THR A C 1 ? ? +3917 ATOM O O . THR A 1 306 ? 6.496 -50.399 -61.084 1.00 47.60 ? 316 THR A O 1 ? ? +3918 ATOM N N . TRP A 1 307 ? 6.441 -51.813 -59.341 1.00 47.54 ? 317 TRP A N 1 ? ? +3919 ATOM C CA . TRP A 1 307 ? 6.929 -50.849 -58.375 1.00 47.00 ? 317 TRP A CA 1 ? ? +3920 ATOM C CB . TRP A 1 307 ? 6.834 -51.438 -56.959 1.00 46.89 ? 317 TRP A CB 1 ? ? +3921 ATOM C CG . TRP A 1 307 ? 5.447 -51.415 -56.382 1.00 46.98 ? 317 TRP A CG 1 ? ? +3922 ATOM C CD1 . TRP A 1 307 ? 4.650 -52.491 -56.118 1.00 47.36 ? 317 TRP A CD1 1 ? ? +3923 ATOM N NE1 . TRP A 1 307 ? 3.454 -52.079 -55.607 1.00 47.36 ? 317 TRP A NE1 1 ? ? +3924 ATOM C CE2 . TRP A 1 307 ? 3.453 -50.709 -55.523 1.00 47.00 ? 317 TRP A CE2 1 ? ? +3925 ATOM C CZ2 . TRP A 1 307 ? 2.466 -49.829 -55.064 1.00 46.88 ? 317 TRP A CZ2 1 ? ? +3926 ATOM C CH2 . TRP A 1 307 ? 2.749 -48.494 -55.105 1.00 46.50 ? 317 TRP A CH2 1 ? ? +3927 ATOM C CZ3 . TRP A 1 307 ? 3.978 -48.020 -55.583 1.00 46.23 ? 317 TRP A CZ3 1 ? ? +3928 ATOM C CE3 . TRP A 1 307 ? 4.948 -48.886 -56.043 1.00 46.33 ? 317 TRP A CE3 1 ? ? +3929 ATOM C CD2 . TRP A 1 307 ? 4.697 -50.260 -56.005 1.00 46.72 ? 317 TRP A CD2 1 ? ? +3930 ATOM C C . TRP A 1 307 ? 8.355 -50.389 -58.688 1.00 46.73 ? 317 TRP A C 1 ? ? +3931 ATOM O O . TRP A 1 307 ? 8.726 -49.286 -58.298 1.00 46.44 ? 317 TRP A O 1 ? ? +3932 ATOM N N . ALA A 1 308 ? 9.147 -51.218 -59.390 1.00 46.90 ? 318 ALA A N 1 ? ? +3933 ATOM C CA . ALA A 1 308 ? 10.491 -50.823 -59.807 1.00 46.66 ? 318 ALA A CA 1 ? ? +3934 ATOM C CB . ALA A 1 308 ? 11.257 -51.992 -60.420 1.00 46.96 ? 318 ALA A CB 1 ? ? +3935 ATOM C C . ALA A 1 308 ? 10.445 -49.674 -60.806 1.00 46.60 ? 318 ALA A C 1 ? ? +3936 ATOM O O . ALA A 1 308 ? 11.311 -48.807 -60.802 1.00 46.40 ? 318 ALA A O 1 ? ? +3937 ATOM N N . ASP A 1 309 ? 9.423 -49.659 -61.667 1.00 46.87 ? 319 ASP A N 1 ? ? +3938 ATOM C CA . ASP A 1 309 ? 9.262 -48.579 -62.625 1.00 46.84 ? 319 ASP A CA 1 ? ? +3939 ATOM C CB . ASP A 1 309 ? 8.278 -48.978 -63.742 1.00 47.35 ? 319 ASP A CB 1 ? ? +3940 ATOM C CG . ASP A 1 309 ? 8.726 -50.161 -64.574 1.00 47.80 ? 319 ASP A CG 1 ? ? +3941 ATOM O OD1 . ASP A 1 309 ? 9.715 -50.025 -65.329 1.00 47.84 ? 319 ASP A OD1 1 ? ? +3942 ATOM O OD2 . ASP A 1 309 ? 8.111 -51.215 -64.459 1.00 48.18 ? 319 ASP A OD2 1 ? ? +3943 ATOM C C . ASP A 1 309 ? 8.833 -47.279 -61.941 1.00 46.39 ? 319 ASP A C 1 ? ? +3944 ATOM O O . ASP A 1 309 ? 9.194 -46.200 -62.400 1.00 46.19 ? 319 ASP A O 1 ? ? +3945 ATOM N N . ILE A 1 310 ? 8.088 -47.382 -60.829 1.00 46.20 ? 320 ILE A N 1 ? ? +3946 ATOM C CA . ILE A 1 310 ? 7.736 -46.209 -60.045 1.00 45.80 ? 320 ILE A CA 1 ? ? +3947 ATOM C CB . ILE A 1 310 ? 6.617 -46.510 -59.030 1.00 45.82 ? 320 ILE A CB 1 ? ? +3948 ATOM C CG1 . ILE A 1 310 ? 5.346 -47.124 -59.699 1.00 46.27 ? 320 ILE A CG1 1 ? ? +3949 ATOM C CG2 . ILE A 1 310 ? 6.271 -45.251 -58.251 1.00 45.46 ? 320 ILE A CG2 1 ? ? +3950 ATOM C CD1 . ILE A 1 310 ? 4.806 -46.358 -60.838 1.00 46.42 ? 320 ILE A CD1 1 ? ? +3951 ATOM C C . ILE A 1 310 ? 8.952 -45.610 -59.339 1.00 45.37 ? 320 ILE A C 1 ? ? +3952 ATOM O O . ILE A 1 310 ? 9.102 -44.399 -59.287 1.00 45.09 ? 320 ILE A O 1 ? ? +3953 ATOM N N A ILE A 1 311 ? 9.809 -46.473 -58.782 0.40 45.36 ? 321 ILE A N 1 ? ? +3954 ATOM N N B ILE A 1 311 ? 9.805 -46.472 -58.780 0.60 45.34 ? 321 ILE A N 1 ? ? +3955 ATOM C CA A ILE A 1 311 ? 11.093 -46.050 -58.249 0.40 45.07 ? 321 ILE A CA 1 ? ? +3956 ATOM C CA B ILE A 1 311 ? 11.089 -46.050 -58.245 0.60 45.02 ? 321 ILE A CA 1 ? ? +3957 ATOM C C A ILE A 1 311 ? 11.910 -45.310 -59.304 0.40 45.07 ? 321 ILE A C 1 ? ? +3958 ATOM C C B ILE A 1 311 ? 11.906 -45.314 -59.303 0.60 45.00 ? 321 ILE A C 1 ? ? +3959 ATOM O O A ILE A 1 311 ? 12.569 -44.317 -59.005 0.40 44.79 ? 321 ILE A O 1 ? ? +3960 ATOM O O B ILE A 1 311 ? 12.571 -44.327 -58.999 0.60 44.71 ? 321 ILE A O 1 ? ? +3961 ATOM C CB A ILE A 1 311 ? 11.893 -47.252 -57.729 0.40 45.17 ? 321 ILE A CB 1 ? ? +3962 ATOM C CB B ILE A 1 311 ? 11.883 -47.250 -57.705 0.60 45.13 ? 321 ILE A CB 1 ? ? +3963 ATOM C CG1 A ILE A 1 311 ? 11.251 -47.853 -56.485 0.40 45.14 ? 321 ILE A CG1 1 ? ? +3964 ATOM C CG1 B ILE A 1 311 ? 11.222 -47.841 -56.459 0.60 45.09 ? 321 ILE A CG1 1 ? ? +3965 ATOM C CG2 A ILE A 1 311 ? 13.366 -46.868 -57.473 0.40 44.97 ? 321 ILE A CG2 1 ? ? +3966 ATOM C CG2 B ILE A 1 311 ? 13.358 -46.865 -57.419 0.60 44.92 ? 321 ILE A CG2 1 ? ? +3967 ATOM C CD1 A ILE A 1 311 ? 11.897 -49.147 -56.088 0.40 45.33 ? 321 ILE A CD1 1 ? ? +3968 ATOM C CD1 B ILE A 1 311 ? 11.864 -49.152 -56.032 0.60 45.28 ? 321 ILE A CD1 1 ? ? +3969 ATOM N N A ASN A 1 312 ? 11.852 -45.805 -60.544 0.40 45.44 ? 322 ASN A N 1 ? ? +3970 ATOM N N B ASN A 1 312 ? 11.850 -45.808 -60.545 0.60 45.35 ? 322 ASN A N 1 ? ? +3971 ATOM C CA A ASN A 1 312 ? 12.593 -45.193 -61.632 0.40 45.52 ? 322 ASN A CA 1 ? ? +3972 ATOM C CA B ASN A 1 312 ? 12.595 -45.204 -61.637 0.60 45.40 ? 322 ASN A CA 1 ? ? +3973 ATOM C C A ASN A 1 312 ? 12.125 -43.760 -61.878 0.40 45.38 ? 322 ASN A C 1 ? ? +3974 ATOM C C B ASN A 1 312 ? 12.136 -43.773 -61.912 0.60 45.25 ? 322 ASN A C 1 ? ? +3975 ATOM O O A ASN A 1 312 ? 12.947 -42.858 -62.011 0.40 45.25 ? 322 ASN A O 1 ? ? +3976 ATOM O O B ASN A 1 312 ? 12.966 -42.894 -62.120 0.60 45.14 ? 322 ASN A O 1 ? ? +3977 ATOM C CB A ASN A 1 312 ? 12.496 -46.025 -62.902 0.40 45.96 ? 322 ASN A CB 1 ? ? +3978 ATOM C CB B ASN A 1 312 ? 12.503 -46.059 -62.903 0.60 45.86 ? 322 ASN A CB 1 ? ? +3979 ATOM C CG A ASN A 1 312 ? 13.513 -45.601 -63.920 0.40 46.09 ? 322 ASN A CG 1 ? ? +3980 ATOM C CG B ASN A 1 312 ? 13.617 -45.769 -63.868 0.60 46.00 ? 322 ASN A CG 1 ? ? +3981 ATOM O OD1 A ASN A 1 312 ? 14.567 -45.039 -63.592 0.40 45.91 ? 322 ASN A OD1 1 ? ? +3982 ATOM O OD1 B ASN A 1 312 ? 14.794 -45.673 -63.485 0.60 45.92 ? 322 ASN A OD1 1 ? ? +3983 ATOM N ND2 A ASN A 1 312 ? 13.238 -45.844 -65.176 0.40 46.46 ? 322 ASN A ND2 1 ? ? +3984 ATOM N ND2 B ASN A 1 312 ? 13.313 -45.607 -65.126 0.60 46.30 ? 322 ASN A ND2 1 ? ? +3985 ATOM N N A ARG A 1 313 ? 10.802 -43.559 -61.917 0.40 45.46 ? 323 ARG A N 1 ? ? +3986 ATOM N N B ARG A 1 313 ? 10.814 -43.553 -61.908 0.60 45.28 ? 323 ARG A N 1 ? ? +3987 ATOM C CA A ARG A 1 313 ? 10.226 -42.242 -62.128 0.40 45.35 ? 323 ARG A CA 1 ? ? +3988 ATOM C CA B ARG A 1 313 ? 10.244 -42.232 -62.111 0.60 45.14 ? 323 ARG A CA 1 ? ? +3989 ATOM C C A ARG A 1 313 ? 10.755 -41.236 -61.111 0.40 44.92 ? 323 ARG A C 1 ? ? +3990 ATOM C C B ARG A 1 313 ? 10.769 -41.229 -61.087 0.60 44.69 ? 323 ARG A C 1 ? ? +3991 ATOM O O A ARG A 1 313 ? 11.012 -40.086 -61.452 0.40 44.82 ? 323 ARG A O 1 ? ? +3992 ATOM O O B ARG A 1 313 ? 11.055 -40.087 -61.429 0.60 44.58 ? 323 ARG A O 1 ? ? +3993 ATOM C CB A ARG A 1 313 ? 8.678 -42.272 -62.021 0.40 45.49 ? 323 ARG A CB 1 ? ? +3994 ATOM C CB B ARG A 1 313 ? 8.694 -42.265 -61.999 0.60 45.27 ? 323 ARG A CB 1 ? ? +3995 ATOM C CG A ARG A 1 313 ? 7.951 -43.070 -63.091 0.40 45.95 ? 323 ARG A CG 1 ? ? +3996 ATOM C CG B ARG A 1 313 ? 7.955 -43.053 -63.063 0.60 45.73 ? 323 ARG A CG 1 ? ? +3997 ATOM C CD A ARG A 1 313 ? 8.243 -42.584 -64.488 0.40 46.19 ? 323 ARG A CD 1 ? ? +3998 ATOM C CD B ARG A 1 313 ? 8.239 -42.585 -64.467 0.60 45.97 ? 323 ARG A CD 1 ? ? +3999 ATOM N NE A ARG A 1 313 ? 7.929 -41.174 -64.670 0.40 46.07 ? 323 ARG A NE 1 ? ? +4000 ATOM N NE B ARG A 1 313 ? 7.943 -41.174 -64.681 0.60 45.85 ? 323 ARG A NE 1 ? ? +4001 ATOM C CZ A ARG A 1 313 ? 8.162 -40.502 -65.788 0.40 46.28 ? 323 ARG A CZ 1 ? ? +4002 ATOM C CZ B ARG A 1 313 ? 8.256 -40.506 -65.784 0.60 46.06 ? 323 ARG A CZ 1 ? ? +4003 ATOM N NH1 A ARG A 1 313 ? 8.673 -41.093 -66.855 0.40 46.62 ? 323 ARG A NH1 1 ? ? +4004 ATOM N NH1 B ARG A 1 313 ? 8.773 -41.114 -66.840 0.60 46.39 ? 323 ARG A NH1 1 ? ? +4005 ATOM N NH2 A ARG A 1 313 ? 7.892 -39.202 -65.834 0.40 46.16 ? 323 ARG A NH2 1 ? ? +4006 ATOM N NH2 B ARG A 1 313 ? 8.071 -39.191 -65.822 0.60 45.93 ? 323 ARG A NH2 1 ? ? +4007 ATOM N N A ALA A 1 314 ? 10.861 -41.666 -59.850 0.40 44.74 ? 324 ALA A N 1 ? ? +4008 ATOM N N B ALA A 1 314 ? 10.836 -41.651 -59.821 0.60 44.48 ? 324 ALA A N 1 ? ? +4009 ATOM C CA A ALA A 1 314 ? 11.345 -40.800 -58.791 0.40 44.40 ? 324 ALA A CA 1 ? ? +4010 ATOM C CA B ALA A 1 314 ? 11.350 -40.807 -58.758 0.60 44.12 ? 324 ALA A CA 1 ? ? +4011 ATOM C C A ALA A 1 314 ? 12.848 -40.562 -58.955 0.40 44.37 ? 324 ALA A C 1 ? ? +4012 ATOM C C B ALA A 1 314 ? 12.850 -40.559 -58.954 0.60 44.07 ? 324 ALA A C 1 ? ? +4013 ATOM O O A ALA A 1 314 ? 13.340 -39.448 -58.785 0.40 44.17 ? 324 ALA A O 1 ? ? +4014 ATOM O O B ALA A 1 314 ? 13.329 -39.434 -58.823 0.60 43.88 ? 324 ALA A O 1 ? ? +4015 ATOM C CB A ALA A 1 314 ? 11.028 -41.405 -57.433 0.40 44.25 ? 324 ALA A CB 1 ? ? +4016 ATOM C CB B ALA A 1 314 ? 11.075 -41.445 -57.409 0.60 43.98 ? 324 ALA A CB 1 ? ? +4017 ATOM N N A ASN A 1 315 ? 13.577 -41.621 -59.310 0.40 44.60 ? 325 ASN A N 1 ? ? +4018 ATOM N N B ASN A 1 315 ? 13.588 -41.620 -59.284 0.60 44.26 ? 325 ASN A N 1 ? ? +4019 ATOM C CA A ASN A 1 315 ? 15.002 -41.504 -59.565 0.40 44.61 ? 325 ASN A CA 1 ? ? +4020 ATOM C CA B ASN A 1 315 ? 15.008 -41.498 -59.572 0.60 44.26 ? 325 ASN A CA 1 ? ? +4021 ATOM C C A ASN A 1 315 ? 15.275 -40.513 -60.689 0.40 44.77 ? 325 ASN A C 1 ? ? +4022 ATOM C C B ASN A 1 315 ? 15.276 -40.498 -60.691 0.60 44.39 ? 325 ASN A C 1 ? ? +4023 ATOM O O A ASN A 1 315 ? 16.269 -39.796 -60.649 0.40 44.65 ? 325 ASN A O 1 ? ? +4024 ATOM O O B ASN A 1 315 ? 16.245 -39.753 -60.616 0.60 44.26 ? 325 ASN A O 1 ? ? +4025 ATOM C CB A ASN A 1 315 ? 15.594 -42.852 -59.907 0.40 44.87 ? 325 ASN A CB 1 ? ? +4026 ATOM C CB B ASN A 1 315 ? 15.594 -42.847 -59.938 0.60 44.51 ? 325 ASN A CB 1 ? ? +4027 ATOM C CG A ASN A 1 315 ? 15.718 -43.744 -58.715 0.40 44.76 ? 325 ASN A CG 1 ? ? +4028 ATOM C CG B ASN A 1 315 ? 15.685 -43.780 -58.775 0.60 44.40 ? 325 ASN A CG 1 ? ? +4029 ATOM O OD1 A ASN A 1 315 ? 15.669 -43.302 -57.574 0.40 44.46 ? 325 ASN A OD1 1 ? ? +4030 ATOM O OD1 B ASN A 1 315 ? 15.583 -43.385 -57.625 0.60 44.11 ? 325 ASN A OD1 1 ? ? +4031 ATOM N ND2 A ASN A 1 315 ? 15.907 -45.020 -58.949 0.40 45.04 ? 325 ASN A ND2 1 ? ? +4032 ATOM N ND2 B ASN A 1 315 ? 15.908 -45.044 -59.046 0.60 44.70 ? 325 ASN A ND2 1 ? ? +4033 ATOM N N A LEU A 1 316 ? 14.381 -40.483 -61.685 0.40 45.08 ? 326 LEU A N 1 ? ? +4034 ATOM N N B LEU A 1 316 ? 14.404 -40.488 -61.710 0.60 44.69 ? 326 LEU A N 1 ? ? +4035 ATOM C CA A LEU A 1 316 ? 14.535 -39.601 -62.831 0.40 45.27 ? 326 LEU A CA 1 ? ? +4036 ATOM C CA B LEU A 1 316 ? 14.543 -39.585 -62.843 0.60 44.86 ? 326 LEU A CA 1 ? ? +4037 ATOM C C A LEU A 1 316 ? 14.415 -38.148 -62.387 0.40 45.09 ? 326 LEU A C 1 ? ? +4038 ATOM C C B LEU A 1 316 ? 14.397 -38.133 -62.401 0.60 44.66 ? 326 LEU A C 1 ? ? +4039 ATOM O O A LEU A 1 316 ? 15.160 -37.286 -62.851 0.40 45.12 ? 326 LEU A O 1 ? ? +4040 ATOM O O B LEU A 1 316 ? 15.108 -37.256 -62.889 0.60 44.72 ? 326 LEU A O 1 ? ? +4041 ATOM C CB A LEU A 1 316 ? 13.492 -39.913 -63.913 0.40 45.60 ? 326 LEU A CB 1 ? ? +4042 ATOM C CB B LEU A 1 316 ? 13.506 -39.903 -63.933 0.60 45.19 ? 326 LEU A CB 1 ? ? +4043 ATOM C CG A LEU A 1 316 ? 13.797 -41.110 -64.806 0.40 45.97 ? 326 LEU A CG 1 ? ? +4044 ATOM C CG B LEU A 1 316 ? 13.795 -41.121 -64.802 0.60 45.55 ? 326 LEU A CG 1 ? ? +4045 ATOM C CD1 A LEU A 1 316 ? 12.611 -41.482 -65.643 0.40 46.30 ? 326 LEU A CD1 1 ? ? +4046 ATOM C CD1 B LEU A 1 316 ? 12.578 -41.557 -65.574 0.60 45.87 ? 326 LEU A CD1 1 ? ? +4047 ATOM C CD2 A LEU A 1 316 ? 14.978 -40.833 -65.717 0.40 46.15 ? 326 LEU A CD2 1 ? ? +4048 ATOM C CD2 B LEU A 1 316 ? 14.920 -40.850 -65.774 0.60 45.75 ? 326 LEU A CD2 1 ? ? +4049 ATOM N N A GLY A 1 317 ? 13.474 -37.889 -61.473 0.40 44.95 ? 327 GLY A N 1 ? ? +4050 ATOM N N B GLY A 1 317 ? 13.467 -37.888 -61.473 0.60 44.49 ? 327 GLY A N 1 ? ? +4051 ATOM C CA A GLY A 1 317 ? 13.252 -36.543 -60.970 0.40 44.76 ? 327 GLY A CA 1 ? ? +4052 ATOM C CA B GLY A 1 317 ? 13.245 -36.549 -60.952 0.60 44.26 ? 327 GLY A CA 1 ? ? +4053 ATOM C C A GLY A 1 317 ? 14.462 -36.023 -60.199 0.40 44.55 ? 327 GLY A C 1 ? ? +4054 ATOM C C B GLY A 1 317 ? 14.470 -36.008 -60.218 0.60 44.01 ? 327 GLY A C 1 ? ? +4055 ATOM O O A GLY A 1 317 ? 14.787 -34.842 -60.248 0.40 44.43 ? 327 GLY A O 1 ? ? +4056 ATOM O O B GLY A 1 317 ? 14.795 -34.830 -60.310 0.60 43.91 ? 327 GLY A O 1 ? ? +4057 ATOM N N A MET A 1 318 ? 15.104 -36.930 -59.465 0.40 44.58 ? 328 MET A N 1 ? ? +4058 ATOM N N B MET A 1 318 ? 15.121 -36.893 -59.469 0.60 43.99 ? 328 MET A N 1 ? ? +4059 ATOM C CA A MET A 1 318 ? 16.337 -36.634 -58.758 0.40 44.50 ? 328 MET A CA 1 ? ? +4060 ATOM C CA B MET A 1 318 ? 16.357 -36.579 -58.772 0.60 43.87 ? 328 MET A CA 1 ? ? +4061 ATOM C C A MET A 1 318 ? 17.460 -36.346 -59.754 0.40 44.80 ? 328 MET A C 1 ? ? +4062 ATOM C C B MET A 1 318 ? 17.482 -36.306 -59.771 0.60 44.15 ? 328 MET A C 1 ? ? +4063 ATOM O O A MET A 1 318 ? 18.177 -35.357 -59.637 0.40 44.69 ? 328 MET A O 1 ? ? +4064 ATOM O O B MET A 1 318 ? 18.193 -35.311 -59.666 0.60 44.05 ? 328 MET A O 1 ? ? +4065 ATOM C CB A MET A 1 318 ? 16.723 -37.834 -57.901 0.40 44.46 ? 328 MET A CB 1 ? ? +4066 ATOM C CB B MET A 1 318 ? 16.749 -37.761 -57.891 0.60 43.81 ? 328 MET A CB 1 ? ? +4067 ATOM C CG A MET A 1 318 ? 15.801 -38.096 -56.764 0.40 44.28 ? 328 MET A CG 1 ? ? +4068 ATOM C CG B MET A 1 318 ? 15.793 -38.063 -56.793 0.60 43.62 ? 328 MET A CG 1 ? ? +4069 ATOM S SD A MET A 1 318 ? 16.246 -39.643 -55.954 0.40 44.39 ? 328 MET A SD 1 ? ? +4070 ATOM S SD B MET A 1 318 ? 16.291 -39.584 -55.968 0.60 43.70 ? 328 MET A SD 1 ? ? +4071 ATOM C CE A MET A 1 318 ? 14.610 -40.305 -55.617 0.40 44.41 ? 328 MET A CE 1 ? ? +4072 ATOM C CE B MET A 1 318 ? 14.672 -40.302 -55.609 0.60 43.71 ? 328 MET A CE 1 ? ? +4073 ATOM N N A GLU A 1 319 ? 17.587 -37.235 -60.743 0.40 45.23 ? 329 GLU A N 1 ? ? +4074 ATOM N N B GLU A 1 319 ? 17.617 -37.213 -60.744 0.60 44.56 ? 329 GLU A N 1 ? ? +4075 ATOM C CA A GLU A 1 319 ? 18.573 -37.107 -61.799 0.40 45.62 ? 329 GLU A CA 1 ? ? +4076 ATOM C CA B GLU A 1 319 ? 18.602 -37.107 -61.804 0.60 44.93 ? 329 GLU A CA 1 ? ? +4077 ATOM C C A GLU A 1 319 ? 18.521 -35.765 -62.524 0.40 45.80 ? 329 GLU A C 1 ? ? +4078 ATOM C C B GLU A 1 319 ? 18.549 -35.775 -62.547 0.60 45.11 ? 329 GLU A C 1 ? ? +4079 ATOM O O A GLU A 1 319 ? 19.538 -35.085 -62.637 0.40 45.80 ? 329 GLU A O 1 ? ? +4080 ATOM O O B GLU A 1 319 ? 19.565 -35.095 -62.672 0.60 45.09 ? 329 GLU A O 1 ? ? +4081 ATOM C CB A GLU A 1 319 ? 18.372 -38.241 -62.810 0.40 45.98 ? 329 GLU A CB 1 ? ? +4082 ATOM C CB B GLU A 1 319 ? 18.398 -38.264 -62.797 0.60 45.30 ? 329 GLU A CB 1 ? ? +4083 ATOM C CG A GLU A 1 319 ? 19.213 -38.095 -64.063 0.40 46.33 ? 329 GLU A CG 1 ? ? +4084 ATOM C CG B GLU A 1 319 ? 19.293 -38.191 -64.020 0.60 45.65 ? 329 GLU A CG 1 ? ? +4085 ATOM C CD A GLU A 1 319 ? 19.013 -39.209 -65.070 0.40 46.74 ? 329 GLU A CD 1 ? ? +4086 ATOM C CD B GLU A 1 319 ? 19.064 -39.295 -65.027 0.60 46.06 ? 329 GLU A CD 1 ? ? +4087 ATOM O OE1 A GLU A 1 319 ? 19.078 -40.387 -64.656 0.40 46.84 ? 329 GLU A OE1 1 ? ? +4088 ATOM O OE1 B GLU A 1 319 ? 19.117 -40.478 -64.625 0.60 46.18 ? 329 GLU A OE1 1 ? ? +4089 ATOM O OE2 A GLU A 1 319 ? 18.789 -38.913 -66.266 0.40 47.05 ? 329 GLU A OE2 1 ? ? +4090 ATOM O OE2 B GLU A 1 319 ? 18.819 -38.987 -66.215 0.60 46.37 ? 329 GLU A OE2 1 ? ? +4091 ATOM N N A VAL A 1 320 ? 17.330 -35.393 -63.019 0.40 46.03 ? 330 VAL A N 1 ? ? +4092 ATOM N N B VAL A 1 320 ? 17.358 -35.410 -63.046 0.60 45.31 ? 330 VAL A N 1 ? ? +4093 ATOM C CA A VAL A 1 320 ? 17.202 -34.273 -63.940 0.40 46.30 ? 330 VAL A CA 1 ? ? +4094 ATOM C CA B VAL A 1 320 ? 17.227 -34.271 -63.943 0.60 45.53 ? 330 VAL A CA 1 ? ? +4095 ATOM C C A VAL A 1 320 ? 17.337 -32.915 -63.260 0.40 46.19 ? 330 VAL A C 1 ? ? +4096 ATOM C C B VAL A 1 320 ? 17.371 -32.927 -63.236 0.60 45.40 ? 330 VAL A C 1 ? ? +4097 ATOM O O A VAL A 1 320 ? 17.520 -31.918 -63.946 0.40 46.36 ? 330 VAL A O 1 ? ? +4098 ATOM O O B VAL A 1 320 ? 17.589 -31.928 -63.906 0.60 45.57 ? 330 VAL A O 1 ? ? +4099 ATOM C CB A VAL A 1 320 ? 15.867 -34.306 -64.742 0.40 46.52 ? 330 VAL A CB 1 ? ? +4100 ATOM C CB B VAL A 1 320 ? 15.895 -34.284 -64.752 0.60 45.75 ? 330 VAL A CB 1 ? ? +4101 ATOM C CG1 A VAL A 1 320 ? 15.749 -35.577 -65.584 0.40 46.85 ? 330 VAL A CG1 1 ? ? +4102 ATOM C CG1 B VAL A 1 320 ? 15.770 -35.549 -65.607 0.60 46.07 ? 330 VAL A CG1 1 ? ? +4103 ATOM C CG2 A VAL A 1 320 ? 14.656 -34.131 -63.827 0.40 46.24 ? 330 VAL A CG2 1 ? ? +4104 ATOM C CG2 B VAL A 1 320 ? 14.675 -34.098 -63.847 0.60 45.47 ? 330 VAL A CG2 1 ? ? +4105 ATOM N N A MET A 1 321 ? 17.236 -32.872 -61.926 0.40 46.08 ? 331 MET A N 1 ? ? +4106 ATOM N N B MET A 1 321 ? 17.241 -32.898 -61.903 0.60 45.30 ? 331 MET A N 1 ? ? +4107 ATOM C CA A MET A 1 321 ? 17.308 -31.612 -61.200 0.40 46.02 ? 331 MET A CA 1 ? ? +4108 ATOM C CA B MET A 1 321 ? 17.311 -31.653 -61.150 0.60 45.24 ? 331 MET A CA 1 ? ? +4109 ATOM C C A MET A 1 321 ? 18.668 -31.417 -60.527 0.40 46.00 ? 331 MET A C 1 ? ? +4110 ATOM C C B MET A 1 321 ? 18.645 -31.443 -60.431 0.60 45.18 ? 331 MET A C 1 ? ? +4111 ATOM O O A MET A 1 321 ? 19.113 -30.287 -60.348 0.40 45.95 ? 331 MET A O 1 ? ? +4112 ATOM O O B MET A 1 321 ? 19.025 -30.308 -60.165 0.60 45.11 ? 331 MET A O 1 ? ? +4113 ATOM C CB A MET A 1 321 ? 16.194 -31.523 -60.137 0.40 45.88 ? 331 MET A CB 1 ? ? +4114 ATOM C CB B MET A 1 321 ? 16.177 -31.594 -60.115 0.60 45.13 ? 331 MET A CB 1 ? ? +4115 ATOM C CG A MET A 1 321 ? 14.770 -31.380 -60.716 0.40 46.12 ? 331 MET A CG 1 ? ? +4116 ATOM C CG B MET A 1 321 ? 14.788 -31.370 -60.721 0.60 45.38 ? 331 MET A CG 1 ? ? +4117 ATOM S SD A MET A 1 321 ? 14.501 -29.920 -61.774 0.40 46.59 ? 331 MET A SD 1 ? ? +4118 ATOM S SD B MET A 1 321 ? 14.651 -29.894 -61.787 0.60 45.88 ? 331 MET A SD 1 ? ? +4119 ATOM C CE A MET A 1 321 ? 14.886 -28.599 -60.650 0.40 46.26 ? 331 MET A CE 1 ? ? +4120 ATOM C CE B MET A 1 321 ? 15.131 -28.600 -60.675 0.60 45.56 ? 331 MET A CE 1 ? ? +4121 ATOM N N A HIS A 1 322 ? 19.344 -32.509 -60.156 0.40 46.11 ? 332 HIS A N 1 ? ? +4122 ATOM N N B HIS A 1 322 ? 19.366 -32.521 -60.106 0.60 45.29 ? 332 HIS A N 1 ? ? +4123 ATOM C CA A HIS A 1 322 ? 20.580 -32.382 -59.398 0.40 46.13 ? 332 HIS A CA 1 ? ? +4124 ATOM C CA B HIS A 1 322 ? 20.598 -32.380 -59.344 0.60 45.30 ? 332 HIS A CA 1 ? ? +4125 ATOM C C A HIS A 1 322 ? 21.589 -31.557 -60.191 0.40 46.40 ? 332 HIS A C 1 ? ? +4126 ATOM C C B HIS A 1 322 ? 21.622 -31.578 -60.142 0.60 45.58 ? 332 HIS A C 1 ? ? +4127 ATOM O O A HIS A 1 322 ? 21.596 -31.591 -61.416 0.40 46.72 ? 332 HIS A O 1 ? ? +4128 ATOM O O B HIS A 1 322 ? 21.658 -31.660 -61.365 0.60 45.91 ? 332 HIS A O 1 ? ? +4129 ATOM C CB A HIS A 1 322 ? 21.157 -33.757 -58.972 0.40 46.23 ? 332 HIS A CB 1 ? ? +4130 ATOM C CB B HIS A 1 322 ? 21.178 -33.744 -58.901 0.60 45.40 ? 332 HIS A CB 1 ? ? +4131 ATOM C CG A HIS A 1 322 ? 22.053 -34.473 -59.943 0.40 46.64 ? 332 HIS A CG 1 ? ? +4132 ATOM C CG B HIS A 1 322 ? 22.084 -34.449 -59.868 0.60 45.79 ? 332 HIS A CG 1 ? ? +4133 ATOM N ND1 A HIS A 1 322 ? 21.566 -35.045 -61.102 0.40 46.90 ? 332 HIS A ND1 1 ? ? +4134 ATOM N ND1 B HIS A 1 322 ? 21.607 -35.038 -61.020 0.60 46.02 ? 332 HIS A ND1 1 ? ? +4135 ATOM C CD2 A HIS A 1 322 ? 23.373 -34.758 -59.841 0.40 46.87 ? 332 HIS A CD2 1 ? ? +4136 ATOM C CD2 B HIS A 1 322 ? 23.411 -34.692 -59.772 0.60 46.03 ? 332 HIS A CD2 1 ? ? +4137 ATOM C CE1 A HIS A 1 322 ? 22.596 -35.633 -61.694 0.40 47.21 ? 332 HIS A CE1 1 ? ? +4138 ATOM C CE1 B HIS A 1 322 ? 22.644 -35.604 -61.613 0.60 46.36 ? 332 HIS A CE1 1 ? ? +4139 ATOM N NE2 A HIS A 1 322 ? 23.721 -35.490 -60.964 0.40 47.35 ? 332 HIS A NE2 1 ? ? +4140 ATOM N NE2 B HIS A 1 322 ? 23.774 -35.423 -60.890 0.60 46.49 ? 332 HIS A NE2 1 ? ? +4141 ATOM N N A GLU A 1 323 ? 22.402 -30.777 -59.471 0.40 46.40 ? 333 GLU A N 1 ? ? +4142 ATOM N N B GLU A 1 323 ? 22.418 -30.770 -59.433 0.60 45.61 ? 333 GLU A N 1 ? ? +4143 ATOM C CA A GLU A 1 323 ? 23.448 -29.975 -60.082 0.40 46.76 ? 333 GLU A CA 1 ? ? +4144 ATOM C CA B GLU A 1 323 ? 23.496 -30.009 -60.040 0.60 45.99 ? 333 GLU A CA 1 ? ? +4145 ATOM C C A GLU A 1 323 ? 22.937 -29.383 -61.395 0.40 46.79 ? 333 GLU A C 1 ? ? +4146 ATOM C C B GLU A 1 323 ? 23.007 -29.414 -61.362 0.60 46.02 ? 333 GLU A C 1 ? ? +4147 ATOM O O A GLU A 1 323 ? 23.516 -29.607 -62.458 0.40 47.02 ? 333 GLU A O 1 ? ? +4148 ATOM O O B GLU A 1 323 ? 23.594 -29.644 -62.419 0.60 46.23 ? 333 GLU A O 1 ? ? +4149 ATOM C CB A GLU A 1 323 ? 24.715 -30.840 -60.286 0.40 47.30 ? 333 GLU A CB 1 ? ? +4150 ATOM C CB B GLU A 1 323 ? 24.743 -30.921 -60.206 0.60 46.57 ? 333 GLU A CB 1 ? ? +4151 ATOM C CG A GLU A 1 323 ? 25.335 -31.370 -58.990 0.40 47.44 ? 333 GLU A CG 1 ? ? +4152 ATOM C CG B GLU A 1 323 ? 25.321 -31.464 -58.896 0.60 46.75 ? 333 GLU A CG 1 ? ? +4153 ATOM C CD A GLU A 1 323 ? 26.227 -32.584 -59.175 0.40 48.07 ? 333 GLU A CD 1 ? ? +4154 ATOM C CD B GLU A 1 323 ? 26.301 -32.613 -59.043 0.60 47.49 ? 333 GLU A CD 1 ? ? +4155 ATOM O OE1 A GLU A 1 323 ? 26.410 -32.984 -60.346 0.40 48.60 ? 333 GLU A OE1 1 ? ? +4156 ATOM O OE1 B GLU A 1 323 ? 26.612 -32.966 -60.203 0.60 48.03 ? 333 GLU A OE1 1 ? ? +4157 ATOM O OE2 A GLU A 1 323 ? 26.723 -33.155 -58.172 0.40 48.89 ? 333 GLU A OE2 1 ? ? +4158 ATOM O OE2 B GLU A 1 323 ? 26.754 -33.178 -58.015 0.60 48.60 ? 333 GLU A OE2 1 ? ? +4159 ATOM N N A ARG A 1 324 ? 21.861 -28.590 -61.290 0.40 46.45 ? 334 ARG A N 1 ? ? +4160 ATOM N N B ARG A 1 324 ? 21.927 -28.621 -61.268 0.60 45.69 ? 334 ARG A N 1 ? ? +4161 ATOM C CA A ARG A 1 324 ? 21.055 -28.179 -62.431 0.40 46.49 ? 334 ARG A CA 1 ? ? +4162 ATOM C CA B ARG A 1 324 ? 21.118 -28.216 -62.412 0.60 45.73 ? 334 ARG A CA 1 ? ? +4163 ATOM C C A ARG A 1 324 ? 21.794 -27.387 -63.508 0.40 46.66 ? 334 ARG A C 1 ? ? +4164 ATOM C C B ARG A 1 324 ? 21.825 -27.412 -63.502 0.60 45.91 ? 334 ARG A C 1 ? ? +4165 ATOM O O A ARG A 1 324 ? 21.351 -27.331 -64.653 0.40 46.84 ? 334 ARG A O 1 ? ? +4166 ATOM O O B ARG A 1 324 ? 21.352 -27.356 -64.634 0.60 46.06 ? 334 ARG A O 1 ? ? +4167 ATOM C CB A ARG A 1 324 ? 19.883 -27.338 -61.924 0.40 46.24 ? 334 ARG A CB 1 ? ? +4168 ATOM C CB B ARG A 1 324 ? 19.931 -27.395 -61.910 0.60 45.48 ? 334 ARG A CB 1 ? ? +4169 ATOM C CG A ARG A 1 324 ? 20.326 -26.052 -61.268 0.40 46.12 ? 334 ARG A CG 1 ? ? +4170 ATOM C CG B ARG A 1 324 ? 20.332 -26.049 -61.358 0.60 45.38 ? 334 ARG A CG 1 ? ? +4171 ATOM C CD A ARG A 1 324 ? 19.249 -25.426 -60.412 0.40 45.85 ? 334 ARG A CD 1 ? ? +4172 ATOM C CD B ARG A 1 324 ? 19.286 -25.449 -60.452 0.60 45.10 ? 334 ARG A CD 1 ? ? +4173 ATOM N NE A ARG A 1 324 ? 19.756 -24.242 -59.731 0.40 45.74 ? 334 ARG A NE 1 ? ? +4174 ATOM N NE B ARG A 1 324 ? 19.784 -24.249 -59.791 0.60 45.01 ? 334 ARG A NE 1 ? ? +4175 ATOM C CZ A ARG A 1 324 ? 20.734 -24.265 -58.839 0.40 45.59 ? 334 ARG A CZ 1 ? ? +4176 ATOM C CZ B ARG A 1 324 ? 20.734 -24.247 -58.867 0.60 44.84 ? 334 ARG A CZ 1 ? ? +4177 ATOM N NH1 A ARG A 1 324 ? 21.007 -25.359 -58.152 0.40 45.48 ? 334 ARG A NH1 1 ? ? +4178 ATOM N NH1 B ARG A 1 324 ? 20.968 -25.313 -58.126 0.60 44.71 ? 334 ARG A NH1 1 ? ? +4179 ATOM N NH2 A ARG A 1 324 ? 21.442 -23.161 -58.616 0.40 45.60 ? 334 ARG A NH2 1 ? ? +4180 ATOM N NH2 B ARG A 1 324 ? 21.443 -23.139 -58.658 0.60 44.85 ? 334 ARG A NH2 1 ? ? +4181 ATOM N N A ASN A 1 325 ? 22.918 -26.768 -63.144 0.40 46.60 ? 335 ASN A N 1 ? ? +4182 ATOM N N B ASN A 1 325 ? 22.947 -26.772 -63.157 0.60 45.86 ? 335 ASN A N 1 ? ? +4183 ATOM C CA A ASN A 1 325 ? 23.655 -25.943 -64.088 0.40 46.84 ? 335 ASN A CA 1 ? ? +4184 ATOM C CA B ASN A 1 325 ? 23.688 -25.968 -64.118 0.60 46.11 ? 335 ASN A CA 1 ? ? +4185 ATOM C C A ASN A 1 325 ? 25.003 -26.541 -64.482 0.40 46.96 ? 335 ASN A C 1 ? ? +4186 ATOM C C B ASN A 1 325 ? 25.033 -26.576 -64.510 0.60 46.23 ? 335 ASN A C 1 ? ? +4187 ATOM O O A ASN A 1 325 ? 25.827 -25.860 -65.083 0.40 47.30 ? 335 ASN A O 1 ? ? +4188 ATOM O O B ASN A 1 325 ? 25.835 -25.921 -65.167 0.60 46.58 ? 335 ASN A O 1 ? ? +4189 ATOM C CB A ASN A 1 325 ? 23.887 -24.542 -63.518 0.40 46.77 ? 335 ASN A CB 1 ? ? +4190 ATOM C CB B ASN A 1 325 ? 23.926 -24.562 -63.563 0.60 46.05 ? 335 ASN A CB 1 ? ? +4191 ATOM C CG A ASN A 1 325 ? 22.625 -23.777 -63.237 0.40 46.55 ? 335 ASN A CG 1 ? ? +4192 ATOM C CG B ASN A 1 325 ? 22.665 -23.789 -63.289 0.60 45.82 ? 335 ASN A CG 1 ? ? +4193 ATOM O OD1 A ASN A 1 325 ? 21.704 -23.748 -64.048 0.40 46.74 ? 335 ASN A OD1 1 ? ? +4194 ATOM O OD1 B ASN A 1 325 ? 21.818 -23.639 -64.157 0.60 46.03 ? 335 ASN A OD1 1 ? ? +4195 ATOM N ND2 A ASN A 1 325 ? 22.558 -23.140 -62.081 0.40 46.24 ? 335 ASN A ND2 1 ? ? +4196 ATOM N ND2 B ASN A 1 325 ? 22.521 -23.262 -62.085 0.60 45.48 ? 335 ASN A ND2 1 ? ? +4197 ATOM N N A ALA A 1 326 ? 25.210 -27.819 -64.157 0.40 46.75 ? 336 ALA A N 1 ? ? +4198 ATOM N N B ALA A 1 326 ? 25.262 -27.834 -64.124 0.60 46.01 ? 336 ALA A N 1 ? ? +4199 ATOM C CA A ALA A 1 326 ? 26.531 -28.424 -64.234 0.40 46.84 ? 336 ALA A CA 1 ? ? +4200 ATOM C CA B ALA A 1 326 ? 26.581 -28.444 -64.195 0.60 46.10 ? 336 ALA A CA 1 ? ? +4201 ATOM C C A ALA A 1 326 ? 26.726 -29.389 -65.400 0.40 47.11 ? 336 ALA A C 1 ? ? +4202 ATOM C C B ALA A 1 326 ? 26.804 -29.376 -65.382 0.60 46.36 ? 336 ALA A C 1 ? ? +4203 ATOM O O A ALA A 1 326 ? 27.815 -29.914 -65.591 0.40 47.37 ? 336 ALA A O 1 ? ? +4204 ATOM O O B ALA A 1 326 ? 27.920 -29.826 -65.605 0.60 46.65 ? 336 ALA A O 1 ? ? +4205 ATOM C CB A ALA A 1 326 ? 26.830 -29.150 -62.935 0.40 46.53 ? 336 ALA A CB 1 ? ? +4206 ATOM C CB B ALA A 1 326 ? 26.848 -29.209 -62.916 0.60 45.79 ? 336 ALA A CB 1 ? ? +4207 ATOM N N A HIS A 1 327 ? 25.670 -29.631 -66.176 0.40 47.10 ? 337 HIS A N 1 ? ? +4208 ATOM N N B HIS A 1 327 ? 25.751 -29.666 -66.146 0.60 46.34 ? 337 HIS A N 1 ? ? +4209 ATOM C CA A HIS A 1 327 ? 25.743 -30.590 -67.265 0.40 47.37 ? 337 HIS A CA 1 ? ? +4210 ATOM C CA B HIS A 1 327 ? 25.855 -30.595 -67.258 0.60 46.62 ? 337 HIS A CA 1 ? ? +4211 ATOM C C A HIS A 1 327 ? 25.414 -29.929 -68.602 0.40 47.69 ? 337 HIS A C 1 ? ? +4212 ATOM C C B HIS A 1 327 ? 25.491 -29.907 -68.572 0.60 46.92 ? 337 HIS A C 1 ? ? +4213 ATOM O O A HIS A 1 327 ? 24.377 -29.273 -68.742 0.40 47.56 ? 337 HIS A O 1 ? ? +4214 ATOM O O B HIS A 1 327 ? 24.449 -29.246 -68.674 0.60 46.77 ? 337 HIS A O 1 ? ? +4215 ATOM C CB A HIS A 1 327 ? 24.781 -31.765 -67.014 0.40 47.18 ? 337 HIS A CB 1 ? ? +4216 ATOM C CB B HIS A 1 327 ? 24.955 -31.824 -67.045 0.60 46.44 ? 337 HIS A CB 1 ? ? +4217 ATOM C CG A HIS A 1 327 ? 24.884 -32.394 -65.656 0.40 46.77 ? 337 HIS A CG 1 ? ? +4218 ATOM C CG B HIS A 1 327 ? 24.967 -32.385 -65.654 0.60 46.01 ? 337 HIS A CG 1 ? ? +4219 ATOM N ND1 A HIS A 1 327 ? 24.020 -32.047 -64.638 0.40 46.34 ? 337 HIS A ND1 1 ? ? +4220 ATOM N ND1 B HIS A 1 327 ? 24.204 -31.833 -64.647 0.60 45.60 ? 337 HIS A ND1 1 ? ? +4221 ATOM C CD2 A HIS A 1 327 ? 25.746 -33.324 -65.193 0.40 46.78 ? 337 HIS A CD2 1 ? ? +4222 ATOM C CD2 B HIS A 1 327 ? 25.619 -33.457 -65.164 0.60 45.99 ? 337 HIS A CD2 1 ? ? +4223 ATOM C CE1 A HIS A 1 327 ? 24.378 -32.770 -63.590 0.40 46.12 ? 337 HIS A CE1 1 ? ? +4224 ATOM C CE1 B HIS A 1 327 ? 24.435 -32.569 -63.573 0.60 45.36 ? 337 HIS A CE1 1 ? ? +4225 ATOM N NE2 A HIS A 1 327 ? 25.412 -33.561 -63.882 0.40 46.36 ? 337 HIS A NE2 1 ? ? +4226 ATOM N NE2 B HIS A 1 327 ? 25.285 -33.559 -63.841 0.60 45.57 ? 337 HIS A NE2 1 ? ? +4227 ATOM N N A ASN A 1 328 ? 26.302 -30.134 -69.583 0.40 48.05 ? 338 ASN A N 1 ? ? +4228 ATOM N N B ASN A 1 328 ? 26.360 -30.092 -69.572 0.60 47.30 ? 338 ASN A N 1 ? ? +4229 ATOM C CA A ASN A 1 328 ? 26.138 -29.565 -70.910 0.40 48.43 ? 338 ASN A CA 1 ? ? +4230 ATOM C CA B ASN A 1 328 ? 26.156 -29.536 -70.899 0.60 47.68 ? 338 ASN A CA 1 ? ? +4231 ATOM C C A ASN A 1 328 ? 25.835 -30.638 -71.949 0.40 48.73 ? 338 ASN A C 1 ? ? +4232 ATOM C C B ASN A 1 328 ? 25.827 -30.616 -71.923 0.60 47.97 ? 338 ASN A C 1 ? ? +4233 ATOM O O A ASN A 1 328 ? 25.442 -30.332 -73.070 0.40 49.03 ? 338 ASN A O 1 ? ? +4234 ATOM O O B ASN A 1 328 ? 25.374 -30.309 -73.020 0.60 48.27 ? 338 ASN A O 1 ? ? +4235 ATOM C CB A ASN A 1 328 ? 27.394 -28.801 -71.330 0.40 48.76 ? 338 ASN A CB 1 ? ? +4236 ATOM C CB B ASN A 1 328 ? 27.401 -28.770 -71.345 0.60 48.02 ? 338 ASN A CB 1 ? ? +4237 ATOM C CG A ASN A 1 328 ? 27.653 -27.589 -70.489 0.40 48.55 ? 338 ASN A CG 1 ? ? +4238 ATOM C CG B ASN A 1 328 ? 27.687 -27.564 -70.498 0.60 47.81 ? 338 ASN A CG 1 ? ? +4239 ATOM O OD1 A ASN A 1 328 ? 26.769 -27.093 -69.785 0.40 48.18 ? 338 ASN A OD1 1 ? ? +4240 ATOM O OD1 B ASN A 1 328 ? 26.815 -27.043 -69.793 0.60 47.45 ? 338 ASN A OD1 1 ? ? +4241 ATOM N ND2 A ASN A 1 328 ? 28.874 -27.080 -70.550 0.40 48.80 ? 338 ASN A ND2 1 ? ? +4242 ATOM N ND2 B ASN A 1 328 ? 28.921 -27.083 -70.554 0.60 48.07 ? 338 ASN A ND2 1 ? ? +4243 ATOM N N A PHE A 1 329 ? 26.039 -31.900 -71.567 0.40 48.70 ? 339 PHE A N 1 ? ? +4244 ATOM N N B PHE A 1 329 ? 26.067 -31.877 -71.555 0.60 47.95 ? 339 PHE A N 1 ? ? +4245 ATOM C CA A PHE A 1 329 ? 25.875 -33.006 -72.492 0.40 49.06 ? 339 PHE A CA 1 ? ? +4246 ATOM C CA B PHE A 1 329 ? 25.899 -32.995 -72.467 0.60 48.32 ? 339 PHE A CA 1 ? ? +4247 ATOM C C A PHE A 1 329 ? 24.893 -34.022 -71.909 0.40 48.83 ? 339 PHE A C 1 ? ? +4248 ATOM C C B PHE A 1 329 ? 24.911 -33.991 -71.862 0.60 48.05 ? 339 PHE A C 1 ? ? +4249 ATOM O O A PHE A 1 329 ? 24.682 -34.069 -70.700 0.40 48.39 ? 339 PHE A O 1 ? ? +4250 ATOM O O B PHE A 1 329 ? 24.721 -34.021 -70.650 0.60 47.61 ? 339 PHE A O 1 ? ? +4251 ATOM C CB A PHE A 1 329 ? 27.252 -33.600 -72.830 0.40 49.39 ? 339 PHE A CB 1 ? ? +4252 ATOM C CB B PHE A 1 329 ? 27.276 -33.602 -72.783 0.60 48.64 ? 339 PHE A CB 1 ? ? +4253 ATOM C CG A PHE A 1 329 ? 28.218 -32.552 -73.335 0.40 49.71 ? 339 PHE A CG 1 ? ? +4254 ATOM C CG B PHE A 1 329 ? 28.256 -32.559 -73.264 0.60 48.97 ? 339 PHE A CG 1 ? ? +4255 ATOM C CD1 A PHE A 1 329 ? 27.909 -31.773 -74.436 0.40 50.06 ? 339 PHE A CD1 1 ? ? +4256 ATOM C CD1 B PHE A 1 329 ? 27.985 -31.792 -74.385 0.60 49.33 ? 339 PHE A CD1 1 ? ? +4257 ATOM C CD2 A PHE A 1 329 ? 29.427 -32.335 -72.699 0.40 49.71 ? 339 PHE A CD2 1 ? ? +4258 ATOM C CD2 B PHE A 1 329 ? 29.436 -32.325 -72.582 0.60 48.95 ? 339 PHE A CD2 1 ? ? +4259 ATOM C CE1 A PHE A 1 329 ? 28.797 -30.806 -74.894 0.40 50.36 ? 339 PHE A CE1 1 ? ? +4260 ATOM C CE1 B PHE A 1 329 ? 28.887 -30.825 -74.821 0.60 49.62 ? 339 PHE A CE1 1 ? ? +4261 ATOM C CE2 A PHE A 1 329 ? 30.307 -31.368 -73.159 0.40 50.02 ? 339 PHE A CE2 1 ? ? +4262 ATOM C CE2 B PHE A 1 329 ? 30.330 -31.361 -73.021 0.60 49.25 ? 339 PHE A CE2 1 ? ? +4263 ATOM C CZ A PHE A 1 329 ? 29.987 -30.611 -74.253 0.40 50.34 ? 339 PHE A CZ 1 ? ? +4264 ATOM C CZ B PHE A 1 329 ? 30.050 -30.618 -74.136 0.60 49.60 ? 339 PHE A CZ 1 ? ? +4265 ATOM N N A PRO A 1 330 ? 24.236 -34.846 -72.753 0.40 49.16 ? 340 PRO A N 1 ? ? +4266 ATOM N N B PRO A 1 330 ? 24.231 -34.819 -72.685 0.60 48.36 ? 340 PRO A N 1 ? ? +4267 ATOM C CA A PRO A 1 330 ? 23.038 -35.580 -72.338 0.40 49.01 ? 340 PRO A CA 1 ? ? +4268 ATOM C CA B PRO A 1 330 ? 23.034 -35.534 -72.235 0.60 48.19 ? 340 PRO A CA 1 ? ? +4269 ATOM C C A PRO A 1 330 ? 23.184 -36.725 -71.339 0.40 48.90 ? 340 PRO A C 1 ? ? +4270 ATOM C C B PRO A 1 330 ? 23.190 -36.625 -71.179 0.60 48.04 ? 340 PRO A C 1 ? ? +4271 ATOM O O A PRO A 1 330 ? 22.176 -37.249 -70.881 0.40 48.75 ? 340 PRO A O 1 ? ? +4272 ATOM O O B PRO A 1 330 ? 22.202 -36.981 -70.550 0.60 47.84 ? 340 PRO A O 1 ? ? +4273 ATOM C CB A PRO A 1 330 ? 22.505 -36.134 -73.659 0.40 49.42 ? 340 PRO A CB 1 ? ? +4274 ATOM C CB B PRO A 1 330 ? 22.478 -36.131 -73.530 0.60 48.58 ? 340 PRO A CB 1 ? ? +4275 ATOM C CG A PRO A 1 330 ? 23.690 -36.199 -74.565 0.40 49.83 ? 340 PRO A CG 1 ? ? +4276 ATOM C CG B PRO A 1 330 ? 23.614 -36.171 -74.477 0.60 49.01 ? 340 PRO A CG 1 ? ? +4277 ATOM C CD A PRO A 1 330 ? 24.584 -35.065 -74.165 0.40 49.71 ? 340 PRO A CD 1 ? ? +4278 ATOM C CD B PRO A 1 330 ? 24.550 -35.066 -74.099 0.60 48.90 ? 340 PRO A CD 1 ? ? +4279 ATOM N N A LEU A 1 331 ? 24.416 -37.131 -71.014 0.40 49.10 ? 341 LEU A N 1 ? ? +4280 ATOM N N B LEU A 1 331 ? 24.404 -37.154 -70.979 0.60 48.26 ? 341 LEU A N 1 ? ? +4281 ATOM C CA A LEU A 1 331 ? 24.613 -38.231 -70.081 0.40 49.02 ? 341 LEU A CA 1 ? ? +4282 ATOM C CA B LEU A 1 331 ? 24.608 -38.241 -70.029 0.60 48.14 ? 341 LEU A CA 1 ? ? +4283 ATOM C C A LEU A 1 331 ? 25.489 -37.816 -68.901 0.40 48.91 ? 341 LEU A C 1 ? ? +4284 ATOM C C B LEU A 1 331 ? 25.492 -37.810 -68.860 0.60 48.02 ? 341 LEU A C 1 ? ? +4285 ATOM O O A LEU A 1 331 ? 26.557 -37.240 -69.089 0.40 49.09 ? 341 LEU A O 1 ? ? +4286 ATOM O O B LEU A 1 331 ? 26.554 -37.227 -69.068 0.60 48.21 ? 341 LEU A O 1 ? ? +4287 ATOM C CB A LEU A 1 331 ? 25.250 -39.434 -70.791 0.40 49.41 ? 341 LEU A CB 1 ? ? +4288 ATOM C CB B LEU A 1 331 ? 25.242 -39.450 -70.722 0.60 48.53 ? 341 LEU A CB 1 ? ? +4289 ATOM C CG A LEU A 1 331 ? 24.553 -39.937 -72.051 0.40 49.78 ? 341 LEU A CG 1 ? ? +4290 ATOM C CG B LEU A 1 331 ? 24.557 -39.955 -71.989 0.60 48.92 ? 341 LEU A CG 1 ? ? +4291 ATOM C CD1 A LEU A 1 331 ? 25.247 -41.166 -72.608 0.40 50.16 ? 341 LEU A CD1 1 ? ? +4292 ATOM C CD1 B LEU A 1 331 ? 25.265 -41.173 -72.542 0.60 49.30 ? 341 LEU A CD1 1 ? ? +4293 ATOM C CD2 A LEU A 1 331 ? 23.100 -40.258 -71.794 0.40 49.59 ? 341 LEU A CD2 1 ? ? +4294 ATOM C CD2 B LEU A 1 331 ? 23.105 -40.299 -71.748 0.60 48.74 ? 341 LEU A CD2 1 ? ? +4295 ATOM N N A ASP A 1 332 ? 25.012 -38.101 -67.684 0.40 48.72 ? 342 ASP A N 1 ? ? +4296 ATOM N N B ASP A 1 332 ? 25.035 -38.089 -67.631 0.60 47.81 ? 342 ASP A N 1 ? ? +4297 ATOM C CA A ASP A 1 332 ? 25.796 -37.914 -66.474 0.40 48.64 ? 342 ASP A CA 1 ? ? +4298 ATOM C CA B ASP A 1 332 ? 25.817 -37.862 -66.425 0.60 47.73 ? 342 ASP A CA 1 ? ? +4299 ATOM C C A ASP A 1 332 ? 26.617 -39.186 -66.281 0.40 48.85 ? 342 ASP A C 1 ? ? +4300 ATOM C C B ASP A 1 332 ? 26.654 -39.116 -66.177 0.60 47.90 ? 342 ASP A C 1 ? ? +4301 ATOM O O A ASP A 1 332 ? 26.118 -40.177 -65.761 0.40 48.77 ? 342 ASP A O 1 ? ? +4302 ATOM O O B ASP A 1 332 ? 26.226 -40.022 -65.476 0.60 47.77 ? 342 ASP A O 1 ? ? +4303 ATOM C CB A ASP A 1 332 ? 24.881 -37.617 -65.263 0.40 48.31 ? 342 ASP A CB 1 ? ? +4304 ATOM C CB B ASP A 1 332 ? 24.901 -37.515 -65.221 0.60 47.38 ? 342 ASP A CB 1 ? ? +4305 ATOM C CG A ASP A 1 332 ? 25.553 -37.134 -63.976 0.40 48.25 ? 342 ASP A CG 1 ? ? +4306 ATOM C CG B ASP A 1 332 ? 25.585 -37.003 -63.944 0.60 47.36 ? 342 ASP A CG 1 ? ? +4307 ATOM O OD1 A ASP A 1 332 ? 26.802 -36.944 -63.972 0.40 48.76 ? 342 ASP A OD1 1 ? ? +4308 ATOM O OD1 B ASP A 1 332 ? 26.827 -36.772 -63.961 0.60 47.88 ? 342 ASP A OD1 1 ? ? +4309 ATOM O OD2 A ASP A 1 332 ? 24.843 -36.958 -62.967 0.40 48.00 ? 342 ASP A OD2 1 ? ? +4310 ATOM O OD2 B ASP A 1 332 ? 24.898 -36.851 -62.918 0.60 47.11 ? 342 ASP A OD2 1 ? ? +4311 ATOM N N A LEU A 1 333 ? 27.874 -39.158 -66.739 0.40 49.26 ? 343 LEU A N 1 ? ? +4312 ATOM N N B LEU A 1 333 ? 27.850 -39.164 -66.776 0.60 48.32 ? 343 LEU A N 1 ? ? +4313 ATOM C CA A LEU A 1 333 ? 28.727 -40.336 -66.739 0.40 49.56 ? 343 LEU A CA 1 ? ? +4314 ATOM C CA B LEU A 1 333 ? 28.699 -40.346 -66.736 0.60 48.59 ? 343 LEU A CA 1 ? ? +4315 ATOM C C A LEU A 1 333 ? 29.609 -40.427 -65.494 0.40 49.53 ? 343 LEU A C 1 ? ? +4316 ATOM C C B LEU A 1 333 ? 29.605 -40.409 -65.506 0.60 48.56 ? 343 LEU A C 1 ? ? +4317 ATOM O O A LEU A 1 333 ? 30.249 -41.446 -65.256 0.40 49.69 ? 343 LEU A O 1 ? ? +4318 ATOM O O B LEU A 1 333 ? 30.274 -41.412 -65.281 0.60 48.73 ? 343 LEU A O 1 ? ? +4319 ATOM C CB A LEU A 1 333 ? 29.597 -40.332 -67.991 0.40 50.01 ? 343 LEU A CB 1 ? ? +4320 ATOM C CB B LEU A 1 333 ? 29.550 -40.395 -67.999 0.60 49.03 ? 343 LEU A CB 1 ? ? +4321 ATOM C CG A LEU A 1 333 ? 28.858 -40.542 -69.295 0.40 50.27 ? 343 LEU A CG 1 ? ? +4322 ATOM C CG B LEU A 1 333 ? 28.796 -40.593 -69.296 0.60 49.28 ? 343 LEU A CG 1 ? ? +4323 ATOM C CD1 A LEU A 1 333 ? 29.820 -40.639 -70.454 0.40 50.81 ? 343 LEU A CD1 1 ? ? +4324 ATOM C CD1 B LEU A 1 333 ? 29.752 -40.687 -70.461 0.60 49.82 ? 343 LEU A CD1 1 ? ? +4325 ATOM C CD2 A LEU A 1 333 ? 27.989 -41.782 -69.240 0.40 50.24 ? 343 LEU A CD2 1 ? ? +4326 ATOM C CD2 B LEU A 1 333 ? 27.935 -41.840 -69.259 0.60 49.26 ? 343 LEU A CD2 1 ? ? +4327 ATOM N N A ALA A 1 334 ? 29.627 -39.362 -64.689 0.40 49.39 ? 344 ALA A N 1 ? ? +4328 ATOM N N B ALA A 1 334 ? 29.611 -39.348 -64.694 0.60 48.40 ? 344 ALA A N 1 ? ? +4329 ATOM C CA A ALA A 1 334 ? 30.295 -39.397 -63.398 0.40 49.38 ? 344 ALA A CA 1 ? ? +4330 ATOM C CA B ALA A 1 334 ? 30.286 -39.379 -63.407 0.60 48.37 ? 344 ALA A CA 1 ? ? +4331 ATOM C C A ALA A 1 334 ? 29.699 -38.329 -62.500 0.40 49.08 ? 344 ALA A C 1 ? ? +4332 ATOM C C B ALA A 1 334 ? 29.694 -38.319 -62.508 0.60 48.10 ? 344 ALA A C 1 ? ? +4333 ATOM O O A ALA A 1 334 ? 29.717 -38.438 -61.267 0.40 49.05 ? 344 ALA A O 1 ? ? +4334 ATOM O O B ALA A 1 334 ? 29.720 -38.423 -61.274 0.60 48.10 ? 344 ALA A O 1 ? ? +4335 ATOM C CB A ALA A 1 334 ? 31.801 -39.198 -63.563 0.40 49.70 ? 344 ALA A CB 1 ? ? +4336 ATOM C CB B ALA A 1 334 ? 31.788 -39.163 -63.588 0.60 48.68 ? 344 ALA A CB 1 ? ? +4337 ATOM O OXT A ALA A 1 334 ? 29.177 -37.352 -63.018 0.40 49.21 ? 344 ALA A OXT 1 ? ? +4338 ATOM O OXT B ALA A 1 334 ? 29.159 -37.351 -63.025 0.60 48.29 ? 344 ALA A OXT 1 ? ? +4339 ATOM N N . GLY B 2 1 ? 18.039 -42.853 -2.112 1.00 55.87 ? 2 GLY B N 1 ? ? +4340 ATOM C CA . GLY B 2 1 ? 16.685 -42.303 -2.058 1.00 55.41 ? 2 GLY B CA 1 ? ? +4341 ATOM C C . GLY B 2 1 ? 15.871 -42.665 -3.294 1.00 54.74 ? 2 GLY B C 1 ? ? +4342 ATOM O O . GLY B 2 1 ? 16.355 -43.394 -4.154 1.00 55.20 ? 2 GLY B O 1 ? ? +4343 ATOM N N . LEU B 2 2 ? 14.642 -42.135 -3.368 1.00 53.82 ? 3 LEU B N 1 ? ? +4344 ATOM C CA . LEU B 2 2 ? 13.819 -42.242 -4.557 1.00 52.78 ? 3 LEU B CA 1 ? ? +4345 ATOM C CB . LEU B 2 2 ? 12.486 -41.498 -4.371 1.00 52.63 ? 3 LEU B CB 1 ? ? +4346 ATOM C CG . LEU B 2 2 ? 11.432 -42.148 -3.527 1.00 53.09 ? 3 LEU B CG 1 ? ? +4347 ATOM C CD1 . LEU B 2 2 ? 10.231 -41.283 -3.488 1.00 53.06 ? 3 LEU B CD1 1 ? ? +4348 ATOM C CD2 . LEU B 2 2 ? 11.028 -43.504 -4.051 1.00 53.29 ? 3 LEU B CD2 1 ? ? +4349 ATOM C C . LEU B 2 2 ? 14.511 -41.622 -5.764 1.00 51.77 ? 3 LEU B C 1 ? ? +4350 ATOM O O . LEU B 2 2 ? 14.964 -40.482 -5.700 1.00 51.52 ? 3 LEU B O 1 ? ? +4351 ATOM N N . PRO B 2 3 ? 14.576 -42.334 -6.910 1.00 51.02 ? 4 PRO B N 1 ? ? +4352 ATOM C CA . PRO B 2 3 ? 14.943 -41.703 -8.170 1.00 50.32 ? 4 PRO B CA 1 ? ? +4353 ATOM C CB . PRO B 2 3 ? 14.970 -42.872 -9.152 1.00 50.39 ? 4 PRO B CB 1 ? ? +4354 ATOM C CG . PRO B 2 3 ? 14.836 -44.098 -8.381 1.00 50.91 ? 4 PRO B CG 1 ? ? +4355 ATOM C CD . PRO B 2 3 ? 14.307 -43.772 -7.045 1.00 51.23 ? 4 PRO B CD 1 ? ? +4356 ATOM C C . PRO B 2 3 ? 13.935 -40.639 -8.598 1.00 49.80 ? 4 PRO B C 1 ? ? +4357 ATOM O O . PRO B 2 3 ? 12.774 -40.654 -8.173 1.00 49.83 ? 4 PRO B O 1 ? ? +4358 ATOM N N . TRP B 2 4 ? 14.391 -39.731 -9.472 1.00 49.11 ? 5 TRP B N 1 ? ? +4359 ATOM C CA . TRP B 2 4 ? 13.592 -38.578 -9.843 1.00 48.56 ? 5 TRP B CA 1 ? ? +4360 ATOM C CB . TRP B 2 4 ? 14.388 -37.633 -10.764 1.00 48.26 ? 5 TRP B CB 1 ? ? +4361 ATOM C CG . TRP B 2 4 ? 14.641 -38.174 -12.136 1.00 48.21 ? 5 TRP B CG 1 ? ? +4362 ATOM C CD1 . TRP B 2 4 ? 15.748 -38.833 -12.558 1.00 48.31 ? 5 TRP B CD1 1 ? ? +4363 ATOM N NE1 . TRP B 2 4 ? 15.618 -39.179 -13.879 1.00 48.11 ? 5 TRP B NE1 1 ? ? +4364 ATOM C CE2 . TRP B 2 4 ? 14.414 -38.722 -14.342 1.00 47.89 ? 5 TRP B CE2 1 ? ? +4365 ATOM C CZ2 . TRP B 2 4 ? 13.830 -38.833 -15.603 1.00 47.65 ? 5 TRP B CZ2 1 ? ? +4366 ATOM C CH2 . TRP B 2 4 ? 12.591 -38.295 -15.771 1.00 47.68 ? 5 TRP B CH2 1 ? ? +4367 ATOM C CZ3 . TRP B 2 4 ? 11.922 -37.656 -14.722 1.00 47.78 ? 5 TRP B CZ3 1 ? ? +4368 ATOM C CE3 . TRP B 2 4 ? 12.504 -37.539 -13.473 1.00 47.93 ? 5 TRP B CE3 1 ? ? +4369 ATOM C CD2 . TRP B 2 4 ? 13.774 -38.079 -13.269 1.00 47.99 ? 5 TRP B CD2 1 ? ? +4370 ATOM C C . TRP B 2 4 ? 12.266 -38.985 -10.484 1.00 48.14 ? 5 TRP B C 1 ? ? +4371 ATOM O O . TRP B 2 4 ? 11.264 -38.301 -10.304 1.00 48.13 ? 5 TRP B O 1 ? ? +4372 ATOM N N A TYR B 2 5 ? 12.274 -40.104 -11.222 0.40 48.02 ? 6 TYR B N 1 ? ? +4373 ATOM N N B TYR B 2 5 ? 12.278 -40.105 -11.216 0.60 48.00 ? 6 TYR B N 1 ? ? +4374 ATOM C CA A TYR B 2 5 ? 11.116 -40.534 -11.990 0.40 47.81 ? 6 TYR B CA 1 ? ? +4375 ATOM C CA B TYR B 2 5 ? 11.132 -40.549 -11.991 0.60 47.82 ? 6 TYR B CA 1 ? ? +4376 ATOM C C A TYR B 2 5 ? 10.048 -41.231 -11.146 0.40 48.12 ? 6 TYR B C 1 ? ? +4377 ATOM C C B TYR B 2 5 ? 10.054 -41.234 -11.148 0.60 48.12 ? 6 TYR B C 1 ? ? +4378 ATOM O O A TYR B 2 5 ? 9.017 -41.643 -11.672 0.40 48.10 ? 6 TYR B O 1 ? ? +4379 ATOM O O B TYR B 2 5 ? 9.019 -41.639 -11.672 0.60 48.08 ? 6 TYR B O 1 ? ? +4380 ATOM C CB A TYR B 2 5 ? 11.550 -41.441 -13.160 0.40 47.66 ? 6 TYR B CB 1 ? ? +4381 ATOM C CB B TYR B 2 5 ? 11.595 -41.464 -13.150 0.60 47.65 ? 6 TYR B CB 1 ? ? +4382 ATOM C CG A TYR B 2 5 ? 12.567 -42.498 -12.803 0.40 47.92 ? 6 TYR B CG 1 ? ? +4383 ATOM C CG B TYR B 2 5 ? 12.611 -42.516 -12.770 0.60 47.94 ? 6 TYR B CG 1 ? ? +4384 ATOM C CD2 A TYR B 2 5 ? 12.175 -43.787 -12.487 0.40 48.31 ? 6 TYR B CD2 1 ? ? +4385 ATOM C CD2 B TYR B 2 5 ? 13.978 -42.253 -12.833 0.60 47.88 ? 6 TYR B CD2 1 ? ? +4386 ATOM C CD1 A TYR B 2 5 ? 13.926 -42.209 -12.791 0.40 47.85 ? 6 TYR B CD1 1 ? ? +4387 ATOM C CD1 B TYR B 2 5 ? 12.214 -43.789 -12.401 0.60 48.34 ? 6 TYR B CD1 1 ? ? +4388 ATOM C CE2 A TYR B 2 5 ? 13.107 -44.767 -12.165 0.40 48.64 ? 6 TYR B CE2 1 ? ? +4389 ATOM C CE2 B TYR B 2 5 ? 14.918 -43.221 -12.493 0.60 48.19 ? 6 TYR B CE2 1 ? ? +4390 ATOM C CE1 A TYR B 2 5 ? 14.868 -43.177 -12.462 0.40 48.15 ? 6 TYR B CE1 1 ? ? +4391 ATOM C CE1 B TYR B 2 5 ? 13.144 -44.766 -12.056 0.60 48.68 ? 6 TYR B CE1 1 ? ? +4392 ATOM C CZ A TYR B 2 5 ? 14.455 -44.457 -12.149 0.40 48.57 ? 6 TYR B CZ 1 ? ? +4393 ATOM C CZ B TYR B 2 5 ? 14.496 -44.482 -12.114 0.60 48.64 ? 6 TYR B CZ 1 ? ? +4394 ATOM O OH A TYR B 2 5 ? 15.388 -45.409 -11.821 0.40 48.91 ? 6 TYR B OH 1 ? ? +4395 ATOM O OH B TYR B 2 5 ? 15.415 -45.438 -11.774 0.60 49.04 ? 6 TYR B OH 1 ? ? +4396 ATOM N N . ARG B 2 6 ? 10.302 -41.352 -9.838 1.00 48.37 ? 7 ARG B N 1 ? ? +4397 ATOM C CA . ARG B 2 6 ? 9.372 -41.988 -8.915 1.00 48.61 ? 7 ARG B CA 1 ? ? +4398 ATOM C CB . ARG B 2 6 ? 10.035 -43.233 -8.291 1.00 49.05 ? 7 ARG B CB 1 ? ? +4399 ATOM C CG . ARG B 2 6 ? 10.380 -44.303 -9.264 1.00 49.02 ? 7 ARG B CG 1 ? ? +4400 ATOM C CD . ARG B 2 6 ? 10.817 -45.525 -8.545 1.00 49.56 ? 7 ARG B CD 1 ? ? +4401 ATOM N NE . ARG B 2 6 ? 11.183 -46.563 -9.494 1.00 49.70 ? 7 ARG B NE 1 ? ? +4402 ATOM C CZ . ARG B 2 6 ? 12.022 -47.555 -9.230 1.00 50.06 ? 7 ARG B CZ 1 ? ? +4403 ATOM N NH1 . ARG B 2 6 ? 12.368 -47.857 -7.991 1.00 50.60 ? 7 ARG B NH1 1 ? ? +4404 ATOM N NH2 . ARG B 2 6 ? 12.522 -48.266 -10.236 1.00 49.95 ? 7 ARG B NH2 1 ? ? +4405 ATOM C C . ARG B 2 6 ? 8.909 -41.121 -7.746 1.00 48.48 ? 7 ARG B C 1 ? ? +4406 ATOM O O . ARG B 2 6 ? 8.269 -41.642 -6.832 1.00 48.95 ? 7 ARG B O 1 ? ? +4407 ATOM N N . VAL B 2 7 ? 9.244 -39.823 -7.750 1.00 47.86 ? 8 VAL B N 1 ? ? +4408 ATOM C CA . VAL B 2 7 ? 8.931 -38.964 -6.615 1.00 47.86 ? 8 VAL B CA 1 ? ? +4409 ATOM C CB . VAL B 2 7 ? 9.385 -37.508 -6.819 1.00 47.38 ? 8 VAL B CB 1 ? ? +4410 ATOM C CG1 . VAL B 2 7 ? 10.888 -37.379 -6.678 1.00 47.37 ? 8 VAL B CG1 1 ? ? +4411 ATOM C CG2 . VAL B 2 7 ? 8.895 -36.938 -8.141 1.00 46.95 ? 8 VAL B CG2 1 ? ? +4412 ATOM C C . VAL B 2 7 ? 7.450 -38.984 -6.219 1.00 47.94 ? 8 VAL B C 1 ? ? +4413 ATOM O O . VAL B 2 7 ? 7.125 -38.871 -5.040 1.00 48.30 ? 8 VAL B O 1 ? ? +4414 ATOM N N . HIS B 2 8 ? 6.551 -39.135 -7.193 1.00 47.63 ? 9 HIS B N 1 ? ? +4415 ATOM C CA . HIS B 2 8 ? 5.120 -39.067 -6.921 1.00 47.71 ? 9 HIS B CA 1 ? ? +4416 ATOM C CB . HIS B 2 8 ? 4.363 -38.672 -8.180 1.00 47.16 ? 9 HIS B CB 1 ? ? +4417 ATOM C CG . HIS B 2 8 ? 4.599 -37.244 -8.569 1.00 46.51 ? 9 HIS B CG 1 ? ? +4418 ATOM N ND1 . HIS B 2 8 ? 4.339 -36.795 -9.835 1.00 46.04 ? 9 HIS B ND1 1 ? ? +4419 ATOM C CE1 . HIS B 2 8 ? 4.671 -35.517 -9.838 1.00 45.70 ? 9 HIS B CE1 1 ? ? +4420 ATOM N NE2 . HIS B 2 8 ? 5.133 -35.142 -8.650 1.00 45.83 ? 9 HIS B NE2 1 ? ? +4421 ATOM C CD2 . HIS B 2 8 ? 5.104 -36.227 -7.842 1.00 46.31 ? 9 HIS B CD2 1 ? ? +4422 ATOM C C . HIS B 2 8 ? 4.510 -40.336 -6.344 1.00 48.42 ? 9 HIS B C 1 ? ? +4423 ATOM O O . HIS B 2 8 ? 3.349 -40.309 -5.928 1.00 48.77 ? 9 HIS B O 1 ? ? +4424 ATOM N N . THR B 2 9 ? 5.308 -41.414 -6.266 1.00 48.73 ? 10 THR B N 1 ? ? +4425 ATOM C CA . THR B 2 9 ? 4.863 -42.661 -5.661 1.00 49.39 ? 10 THR B CA 1 ? ? +4426 ATOM C CB . THR B 2 9 ? 5.877 -43.800 -5.905 1.00 49.60 ? 10 THR B CB 1 ? ? +4427 ATOM O OG1 . THR B 2 9 ? 7.149 -43.480 -5.294 1.00 49.68 ? 10 THR B OG1 1 ? ? +4428 ATOM C CG2 . THR B 2 9 ? 6.063 -44.083 -7.374 1.00 49.29 ? 10 THR B CG2 1 ? ? +4429 ATOM C C . THR B 2 9 ? 4.576 -42.580 -4.162 1.00 49.90 ? 10 THR B C 1 ? ? +4430 ATOM O O . THR B 2 9 ? 4.015 -43.520 -3.607 1.00 50.39 ? 10 THR B O 1 ? ? +4431 ATOM N N . VAL B 2 10 ? 4.960 -41.466 -3.518 1.00 49.86 ? 11 VAL B N 1 ? ? +4432 ATOM C CA . VAL B 2 10 ? 4.727 -41.276 -2.095 1.00 50.43 ? 11 VAL B CA 1 ? ? +4433 ATOM C CB . VAL B 2 10 ? 5.553 -40.114 -1.524 1.00 50.22 ? 11 VAL B CB 1 ? ? +4434 ATOM C CG1 . VAL B 2 10 ? 7.040 -40.339 -1.760 1.00 50.11 ? 11 VAL B CG1 1 ? ? +4435 ATOM C CG2 . VAL B 2 10 ? 5.100 -38.774 -2.085 1.00 49.72 ? 11 VAL B CG2 1 ? ? +4436 ATOM C C . VAL B 2 10 ? 3.257 -41.036 -1.769 1.00 50.91 ? 11 VAL B C 1 ? ? +4437 ATOM O O . VAL B 2 10 ? 2.880 -41.015 -0.597 1.00 51.35 ? 11 VAL B O 1 ? ? +4438 ATOM N N . LEU B 2 11 ? 2.456 -40.807 -2.815 1.00 50.90 ? 12 LEU B N 1 ? ? +4439 ATOM C CA . LEU B 2 11 ? 1.027 -40.611 -2.659 1.00 51.32 ? 12 LEU B CA 1 ? ? +4440 ATOM C CB . LEU B 2 11 ? 0.519 -39.687 -3.769 1.00 50.76 ? 12 LEU B CB 1 ? ? +4441 ATOM C CG . LEU B 2 11 ? 1.123 -38.298 -3.821 1.00 50.20 ? 12 LEU B CG 1 ? ? +4442 ATOM C CD1 . LEU B 2 11 ? 0.700 -37.572 -5.057 1.00 49.70 ? 12 LEU B CD1 1 ? ? +4443 ATOM C CD2 . LEU B 2 11 ? 0.737 -37.487 -2.608 1.00 50.41 ? 12 LEU B CD2 1 ? ? +4444 ATOM C C . LEU B 2 11 ? 0.213 -41.895 -2.701 1.00 52.11 ? 12 LEU B C 1 ? ? +4445 ATOM O O . LEU B 2 11 ? -0.959 -41.850 -2.363 1.00 52.87 ? 12 LEU B O 1 ? ? +4446 ATOM N N . ILE B 2 12 ? 0.811 -43.023 -3.104 1.00 52.50 ? 13 ILE B N 1 ? ? +4447 ATOM C CA . ILE B 2 12 ? 0.067 -44.261 -3.305 1.00 53.19 ? 13 ILE B CA 1 ? ? +4448 ATOM C CB . ILE B 2 12 ? 1.020 -45.384 -3.783 1.00 53.48 ? 13 ILE B CB 1 ? ? +4449 ATOM C CG1 . ILE B 2 12 ? 1.557 -45.053 -5.197 1.00 53.11 ? 13 ILE B CG1 1 ? ? +4450 ATOM C CG2 . ILE B 2 12 ? 0.364 -46.775 -3.741 1.00 54.11 ? 13 ILE B CG2 1 ? ? +4451 ATOM C CD1 . ILE B 2 12 ? 2.474 -46.153 -5.847 1.00 53.19 ? 13 ILE B CD1 1 ? ? +4452 ATOM C C . ILE B 2 12 ? -0.753 -44.720 -2.096 1.00 54.04 ? 13 ILE B C 1 ? ? +4453 ATOM O O . ILE B 2 12 ? -1.855 -45.240 -2.260 1.00 54.63 ? 13 ILE B O 1 ? ? +4454 ATOM N N . ASN B 2 13 ? -0.215 -44.541 -0.887 1.00 54.30 ? 14 ASN B N 1 ? ? +4455 ATOM C CA . ASN B 2 13 ? -0.888 -44.952 0.336 1.00 54.91 ? 14 ASN B CA 1 ? ? +4456 ATOM C CB . ASN B 2 13 ? 0.001 -45.905 1.144 1.00 56.11 ? 14 ASN B CB 1 ? ? +4457 ATOM C CG . ASN B 2 13 ? 0.393 -47.177 0.413 1.00 57.00 ? 14 ASN B CG 1 ? ? +4458 ATOM O OD1 . ASN B 2 13 ? 1.595 -47.418 0.111 1.00 57.62 ? 14 ASN B OD1 1 ? ? +4459 ATOM N ND2 . ASN B 2 13 ? -0.584 -48.028 0.123 1.00 57.57 ? 14 ASN B ND2 1 ? ? +4460 ATOM C C . ASN B 2 13 ? -1.267 -43.755 1.210 1.00 54.24 ? 14 ASN B C 1 ? ? +4461 ATOM O O . ASN B 2 13 ? -1.338 -43.862 2.434 1.00 54.60 ? 14 ASN B O 1 ? ? +4462 ATOM N N . ASP B 2 14 ? -1.528 -42.616 0.564 1.00 53.24 ? 15 ASP B N 1 ? ? +4463 ATOM C CA . ASP B 2 14 ? -1.877 -41.385 1.251 1.00 52.92 ? 15 ASP B CA 1 ? ? +4464 ATOM C CB . ASP B 2 14 ? -0.646 -40.459 1.324 1.00 52.48 ? 15 ASP B CB 1 ? ? +4465 ATOM C CG . ASP B 2 14 ? -0.771 -39.265 2.250 1.00 52.59 ? 15 ASP B CG 1 ? ? +4466 ATOM O OD1 . ASP B 2 14 ? -1.894 -38.944 2.657 1.00 53.08 ? 15 ASP B OD1 1 ? ? +4467 ATOM O OD2 . ASP B 2 14 ? 0.246 -38.656 2.560 1.00 52.43 ? 15 ASP B OD2 1 ? ? +4468 ATOM C C . ASP B 2 14 ? -3.064 -40.762 0.514 1.00 52.43 ? 15 ASP B C 1 ? ? +4469 ATOM O O . ASP B 2 14 ? -2.907 -39.823 -0.261 1.00 51.66 ? 15 ASP B O 1 ? ? +4470 ATOM N N . PRO B 2 15 ? -4.296 -41.288 0.713 1.00 52.71 ? 16 PRO B N 1 ? ? +4471 ATOM C CA . PRO B 2 15 ? -5.463 -40.794 -0.017 1.00 52.51 ? 16 PRO B CA 1 ? ? +4472 ATOM C CB . PRO B 2 15 ? -6.600 -41.616 0.586 1.00 53.32 ? 16 PRO B CB 1 ? ? +4473 ATOM C CG . PRO B 2 15 ? -5.918 -42.867 1.094 1.00 53.70 ? 16 PRO B CG 1 ? ? +4474 ATOM C CD . PRO B 2 15 ? -4.631 -42.390 1.630 1.00 53.39 ? 16 PRO B CD 1 ? ? +4475 ATOM C C . PRO B 2 15 ? -5.677 -39.290 0.128 1.00 52.09 ? 16 PRO B C 1 ? ? +4476 ATOM O O . PRO B 2 15 ? -5.995 -38.610 -0.845 1.00 51.66 ? 16 PRO B O 1 ? ? +4477 ATOM N N . GLY B 2 16 ? -5.470 -38.769 1.340 1.00 52.25 ? 17 GLY B N 1 ? ? +4478 ATOM C CA . GLY B 2 16 ? -5.620 -37.346 1.589 1.00 51.94 ? 17 GLY B CA 1 ? ? +4479 ATOM C C . GLY B 2 16 ? -4.738 -36.478 0.699 1.00 51.14 ? 17 GLY B C 1 ? ? +4480 ATOM O O . GLY B 2 16 ? -5.206 -35.511 0.097 1.00 50.94 ? 17 GLY B O 1 ? ? +4481 ATOM N N . ARG B 2 17 ? -3.454 -36.824 0.612 1.00 50.73 ? 18 ARG B N 1 ? ? +4482 ATOM C CA . ARG B 2 17 ? -2.545 -36.045 -0.211 1.00 50.01 ? 18 ARG B CA 1 ? ? +4483 ATOM C CB . ARG B 2 17 ? -1.096 -36.241 0.246 1.00 50.00 ? 18 ARG B CB 1 ? ? +4484 ATOM C CG . ARG B 2 17 ? -0.881 -35.587 1.579 1.00 50.36 ? 18 ARG B CG 1 ? ? +4485 ATOM C CD . ARG B 2 17 ? 0.548 -35.402 1.944 1.00 50.31 ? 18 ARG B CD 1 ? ? +4486 ATOM N NE . ARG B 2 17 ? 0.664 -34.599 3.153 1.00 50.69 ? 18 ARG B NE 1 ? ? +4487 ATOM C CZ . ARG B 2 17 ? 1.807 -34.132 3.635 1.00 50.70 ? 18 ARG B CZ 1 ? ? +4488 ATOM N NH1 . ARG B 2 17 ? 2.977 -34.592 3.216 1.00 50.58 ? 18 ARG B NH1 1 ? ? +4489 ATOM N NH2 . ARG B 2 17 ? 1.777 -33.169 4.550 1.00 50.79 ? 18 ARG B NH2 1 ? ? +4490 ATOM C C . ARG B 2 17 ? -2.693 -36.359 -1.695 1.00 49.49 ? 18 ARG B C 1 ? ? +4491 ATOM O O . ARG B 2 17 ? -2.384 -35.525 -2.542 1.00 48.92 ? 18 ARG B O 1 ? ? +4492 ATOM N N . LEU B 2 18 ? -3.175 -37.562 -2.017 1.00 49.66 ? 19 LEU B N 1 ? ? +4493 ATOM C CA . LEU B 2 18 ? -3.530 -37.852 -3.393 1.00 49.30 ? 19 LEU B CA 1 ? ? +4494 ATOM C CB . LEU B 2 18 ? -3.928 -39.306 -3.537 1.00 49.78 ? 19 LEU B CB 1 ? ? +4495 ATOM C CG . LEU B 2 18 ? -4.309 -39.728 -4.959 1.00 49.64 ? 19 LEU B CG 1 ? ? +4496 ATOM C CD1 . LEU B 2 18 ? -3.087 -39.863 -5.804 1.00 49.15 ? 19 LEU B CD1 1 ? ? +4497 ATOM C CD2 . LEU B 2 18 ? -5.123 -41.009 -4.953 1.00 50.20 ? 19 LEU B CD2 1 ? ? +4498 ATOM C C . LEU B 2 18 ? -4.641 -36.893 -3.825 1.00 49.06 ? 19 LEU B C 1 ? ? +4499 ATOM O O . LEU B 2 18 ? -4.536 -36.255 -4.868 1.00 48.57 ? 19 LEU B O 1 ? ? +4500 ATOM N N . ILE B 2 19 ? -5.685 -36.751 -3.004 1.00 49.37 ? 20 ILE B N 1 ? ? +4501 ATOM C CA . ILE B 2 19 ? -6.739 -35.790 -3.291 1.00 49.28 ? 20 ILE B CA 1 ? ? +4502 ATOM C CB . ILE B 2 19 ? -7.851 -35.841 -2.209 1.00 49.93 ? 20 ILE B CB 1 ? ? +4503 ATOM C CG1 . ILE B 2 19 ? -8.625 -37.154 -2.288 1.00 50.46 ? 20 ILE B CG1 1 ? ? +4504 ATOM C CG2 . ILE B 2 19 ? -8.779 -34.647 -2.319 1.00 49.90 ? 20 ILE B CG2 1 ? ? +4505 ATOM C CD1 . ILE B 2 19 ? -9.429 -37.436 -1.134 1.00 51.16 ? 20 ILE B CD1 1 ? ? +4506 ATOM C C . ILE B 2 19 ? -6.174 -34.380 -3.445 1.00 48.63 ? 20 ILE B C 1 ? ? +4507 ATOM O O . ILE B 2 19 ? -6.552 -33.647 -4.349 1.00 48.25 ? 20 ILE B O 1 ? ? +4508 ATOM N N . ALA B 2 20 ? -5.264 -33.992 -2.556 1.00 48.51 ? 21 ALA B N 1 ? ? +4509 ATOM C CA . ALA B 2 20 ? -4.618 -32.691 -2.664 1.00 47.97 ? 21 ALA B CA 1 ? ? +4510 ATOM C CB . ALA B 2 20 ? -3.657 -32.488 -1.511 1.00 48.07 ? 21 ALA B CB 1 ? ? +4511 ATOM C C . ALA B 2 20 ? -3.882 -32.502 -3.989 1.00 47.30 ? 21 ALA B C 1 ? ? +4512 ATOM O O . ALA B 2 20 ? -3.920 -31.423 -4.574 1.00 46.89 ? 21 ALA B O 1 ? ? +4513 ATOM N N . ALA B 2 21 ? -3.215 -33.560 -4.457 1.00 47.22 ? 22 ALA B N 1 ? ? +4514 ATOM C CA . ALA B 2 21 ? -2.487 -33.512 -5.717 1.00 46.70 ? 22 ALA B CA 1 ? ? +4515 ATOM C CB . ALA B 2 21 ? -1.607 -34.748 -5.874 1.00 46.72 ? 22 ALA B CB 1 ? ? +4516 ATOM C C . ALA B 2 21 ? -3.455 -33.410 -6.888 1.00 46.59 ? 22 ALA B C 1 ? ? +4517 ATOM O O . ALA B 2 21 ? -3.194 -32.722 -7.869 1.00 46.11 ? 22 ALA B O 1 ? ? +4518 ATOM N N . HIS B 2 22 ? -4.581 -34.128 -6.770 1.00 47.10 ? 23 HIS B N 1 ? ? +4519 ATOM C CA . HIS B 2 22 ? -5.634 -34.075 -7.773 1.00 47.11 ? 23 HIS B CA 1 ? ? +4520 ATOM C CB . HIS B 2 22 ? -6.602 -35.254 -7.575 1.00 47.70 ? 23 HIS B CB 1 ? ? +4521 ATOM C CG . HIS B 2 22 ? -6.018 -36.578 -7.974 1.00 47.77 ? 23 HIS B CG 1 ? ? +4522 ATOM N ND1 . HIS B 2 22 ? -6.728 -37.735 -7.842 1.00 48.27 ? 23 HIS B ND1 1 ? ? +4523 ATOM C CE1 . HIS B 2 22 ? -5.942 -38.708 -8.288 1.00 48.26 ? 23 HIS B CE1 1 ? ? +4524 ATOM N NE2 . HIS B 2 22 ? -4.749 -38.224 -8.703 1.00 47.73 ? 23 HIS B NE2 1 ? ? +4525 ATOM C CD2 . HIS B 2 22 ? -4.791 -36.870 -8.498 1.00 47.45 ? 23 HIS B CD2 1 ? ? +4526 ATOM C C . HIS B 2 22 ? -6.333 -32.715 -7.783 1.00 46.98 ? 23 HIS B C 1 ? ? +4527 ATOM O O . HIS B 2 22 ? -6.665 -32.202 -8.854 1.00 46.71 ? 23 HIS B O 1 ? ? +4528 ATOM N N . LEU B 2 23 ? -6.513 -32.114 -6.599 1.00 47.18 ? 24 LEU B N 1 ? ? +4529 ATOM C CA . LEU B 2 23 ? -7.041 -30.761 -6.509 1.00 47.06 ? 24 LEU B CA 1 ? ? +4530 ATOM C CB . LEU B 2 23 ? -7.287 -30.384 -5.047 1.00 47.46 ? 24 LEU B CB 1 ? ? +4531 ATOM C CG . LEU B 2 23 ? -8.536 -31.015 -4.424 1.00 48.19 ? 24 LEU B CG 1 ? ? +4532 ATOM C CD1 . LEU B 2 23 ? -8.627 -30.760 -2.925 1.00 48.61 ? 24 LEU B CD1 1 ? ? +4533 ATOM C CD2 . LEU B 2 23 ? -9.808 -30.514 -5.067 1.00 48.29 ? 24 LEU B CD2 1 ? ? +4534 ATOM C C . LEU B 2 23 ? -6.112 -29.755 -7.188 1.00 46.40 ? 24 LEU B C 1 ? ? +4535 ATOM O O . LEU B 2 23 ? -6.562 -28.863 -7.908 1.00 46.12 ? 24 LEU B O 1 ? ? +4536 ATOM N N . MET B 2 24 ? -4.804 -29.907 -6.976 1.00 46.13 ? 25 MET B N 1 ? ? +4537 ATOM C CA . MET B 2 24 ? -3.864 -28.951 -7.527 1.00 45.60 ? 25 MET B CA 1 ? ? +4538 ATOM C CB . MET B 2 24 ? -2.453 -29.172 -6.955 1.00 45.60 ? 25 MET B CB 1 ? ? +4539 ATOM C CG . MET B 2 24 ? -1.431 -28.161 -7.423 1.00 45.17 ? 25 MET B CG 1 ? ? +4540 ATOM S SD . MET B 2 24 ? -1.878 -26.442 -7.024 1.00 45.27 ? 25 MET B SD 1 ? ? +4541 ATOM C CE . MET B 2 24 ? -1.813 -26.522 -5.253 1.00 45.71 ? 25 MET B CE 1 ? ? +4542 ATOM C C . MET B 2 24 ? -3.867 -29.068 -9.045 1.00 45.18 ? 25 MET B C 1 ? ? +4543 ATOM O O . MET B 2 24 ? -3.895 -28.058 -9.737 1.00 44.93 ? 25 MET B O 1 ? ? +4544 ATOM N N . HIS B 2 25 ? -3.869 -30.295 -9.568 1.00 45.21 ? 26 HIS B N 1 ? ? +4545 ATOM C CA . HIS B 2 25 ? -3.929 -30.494 -11.007 1.00 44.92 ? 26 HIS B CA 1 ? ? +4546 ATOM C CB . HIS B 2 25 ? -3.899 -31.985 -11.366 1.00 45.13 ? 26 HIS B CB 1 ? ? +4547 ATOM C CG . HIS B 2 25 ? -3.808 -32.241 -12.843 1.00 44.86 ? 26 HIS B CG 1 ? ? +4548 ATOM N ND1 . HIS B 2 25 ? -4.920 -32.557 -13.588 1.00 45.05 ? 26 HIS B ND1 1 ? ? +4549 ATOM C CE1 . HIS B 2 25 ? -4.504 -32.707 -14.838 1.00 44.75 ? 26 HIS B CE1 1 ? ? +4550 ATOM N NE2 . HIS B 2 25 ? -3.199 -32.495 -14.931 1.00 44.40 ? 26 HIS B NE2 1 ? ? +4551 ATOM C CD2 . HIS B 2 25 ? -2.743 -32.185 -13.667 1.00 44.46 ? 26 HIS B CD2 1 ? ? +4552 ATOM C C . HIS B 2 25 ? -5.179 -29.855 -11.611 1.00 44.96 ? 26 HIS B C 1 ? ? +4553 ATOM O O . HIS B 2 25 ? -5.100 -29.170 -12.633 1.00 44.56 ? 26 HIS B O 1 ? ? +4554 ATOM N N . THR B 2 26 ? -6.334 -30.072 -10.957 1.00 45.43 ? 27 THR B N 1 ? ? +4555 ATOM C CA . THR B 2 26 ? -7.583 -29.504 -11.435 1.00 45.58 ? 27 THR B CA 1 ? ? +4556 ATOM C CB . THR B 2 26 ? -8.773 -30.027 -10.613 1.00 46.22 ? 27 THR B CB 1 ? ? +4557 ATOM O OG1 . THR B 2 26 ? -8.704 -31.458 -10.509 1.00 46.48 ? 27 THR B OG1 1 ? ? +4558 ATOM C CG2 . THR B 2 26 ? -10.104 -29.620 -11.226 1.00 46.48 ? 27 THR B CG2 1 ? ? +4559 ATOM C C . THR B 2 26 ? -7.501 -27.980 -11.423 1.00 45.32 ? 27 THR B C 1 ? ? +4560 ATOM O O . THR B 2 26 ? -7.938 -27.335 -12.369 1.00 45.10 ? 27 THR B O 1 ? ? +4561 ATOM N N . ALA B 2 27 ? -6.922 -27.413 -10.351 1.00 45.39 ? 28 ALA B N 1 ? ? +4562 ATOM C CA . ALA B 2 27 ? -6.678 -25.978 -10.267 1.00 45.21 ? 28 ALA B CA 1 ? ? +4563 ATOM C CB . ALA B 2 27 ? -5.977 -25.637 -8.975 1.00 45.23 ? 28 ALA B CB 1 ? ? +4564 ATOM C C . ALA B 2 27 ? -5.855 -25.440 -11.432 1.00 44.80 ? 28 ALA B C 1 ? ? +4565 ATOM O O . ALA B 2 27 ? -6.172 -24.385 -11.992 1.00 44.63 ? 28 ALA B O 1 ? ? +4566 ATOM N N . LEU B 2 28 ? -4.790 -26.170 -11.780 1.00 44.68 ? 29 LEU B N 1 ? ? +4567 ATOM C CA . LEU B 2 28 ? -3.901 -25.751 -12.855 1.00 44.33 ? 29 LEU B CA 1 ? ? +4568 ATOM C CB . LEU B 2 28 ? -2.662 -26.665 -12.906 1.00 44.28 ? 29 LEU B CB 1 ? ? +4569 ATOM C CG . LEU B 2 28 ? -1.657 -26.436 -11.806 1.00 44.40 ? 29 LEU B CG 1 ? ? +4570 ATOM C CD1 . LEU B 2 28 ? -0.595 -27.493 -11.787 1.00 44.38 ? 29 LEU B CD1 1 ? ? +4571 ATOM C CD2 . LEU B 2 28 ? -0.970 -25.107 -11.967 1.00 44.15 ? 29 LEU B CD2 1 ? ? +4572 ATOM C C . LEU B 2 28 ? -4.608 -25.772 -14.211 1.00 44.23 ? 29 LEU B C 1 ? ? +4573 ATOM O O . LEU B 2 28 ? -4.423 -24.872 -15.036 1.00 43.88 ? 29 LEU B O 1 ? ? +4574 ATOM N N . VAL B 2 29 ? -5.422 -26.809 -14.434 1.00 44.49 ? 30 VAL B N 1 ? ? +4575 ATOM C CA . VAL B 2 29 ? -6.099 -26.951 -15.712 1.00 44.49 ? 30 VAL B CA 1 ? ? +4576 ATOM C CB . VAL B 2 29 ? -6.639 -28.379 -15.875 1.00 44.90 ? 30 VAL B CB 1 ? ? +4577 ATOM C CG1 . VAL B 2 29 ? -7.505 -28.519 -17.119 1.00 45.04 ? 30 VAL B CG1 1 ? ? +4578 ATOM C CG2 . VAL B 2 29 ? -5.497 -29.379 -15.893 1.00 44.74 ? 30 VAL B CG2 1 ? ? +4579 ATOM C C . VAL B 2 29 ? -7.190 -25.895 -15.882 1.00 44.54 ? 30 VAL B C 1 ? ? +4580 ATOM O O . VAL B 2 29 ? -7.342 -25.346 -16.968 1.00 44.41 ? 30 VAL B O 1 ? ? +4581 ATOM N N . ALA B 2 30 ? -7.958 -25.621 -14.820 1.00 44.80 ? 31 ALA B N 1 ? ? +4582 ATOM C CA . ALA B 2 30 ? -8.967 -24.569 -14.850 1.00 44.84 ? 31 ALA B CA 1 ? ? +4583 ATOM C CB . ALA B 2 30 ? -9.797 -24.601 -13.585 1.00 45.30 ? 31 ALA B CB 1 ? ? +4584 ATOM C C . ALA B 2 30 ? -8.310 -23.201 -15.010 1.00 44.40 ? 31 ALA B C 1 ? ? +4585 ATOM O O . ALA B 2 30 ? -8.814 -22.336 -15.720 1.00 44.32 ? 31 ALA B O 1 ? ? +4586 ATOM N N . GLY B 2 31 ? -7.155 -23.023 -14.353 1.00 44.09 ? 32 GLY B N 1 ? ? +4587 ATOM C CA . GLY B 2 31 ? -6.361 -21.813 -14.509 1.00 43.64 ? 32 GLY B CA 1 ? ? +4588 ATOM C C . GLY B 2 31 ? -5.927 -21.582 -15.950 1.00 43.18 ? 32 GLY B C 1 ? ? +4589 ATOM O O . GLY B 2 31 ? -5.970 -20.464 -16.450 1.00 43.06 ? 32 GLY B O 1 ? ? +4590 ATOM N N . TRP B 2 32 ? -5.507 -22.658 -16.615 1.00 42.97 ? 33 TRP B N 1 ? ? +4591 ATOM C CA . TRP B 2 32 ? -5.139 -22.593 -18.018 1.00 42.60 ? 33 TRP B CA 1 ? ? +4592 ATOM C CB . TRP B 2 32 ? -4.612 -23.945 -18.511 1.00 42.56 ? 33 TRP B CB 1 ? ? +4593 ATOM C CG . TRP B 2 32 ? -4.317 -23.900 -19.972 1.00 42.37 ? 33 TRP B CG 1 ? ? +4594 ATOM C CD1 . TRP B 2 32 ? -3.208 -23.381 -20.557 1.00 42.05 ? 33 TRP B CD1 1 ? ? +4595 ATOM N NE1 . TRP B 2 32 ? -3.314 -23.458 -21.923 1.00 41.96 ? 33 TRP B NE1 1 ? ? +4596 ATOM C CE2 . TRP B 2 32 ? -4.520 -24.011 -22.247 1.00 42.25 ? 33 TRP B CE2 1 ? ? +4597 ATOM C CZ2 . TRP B 2 32 ? -5.070 -24.297 -23.485 1.00 42.35 ? 33 TRP B CZ2 1 ? ? +4598 ATOM C CH2 . TRP B 2 32 ? -6.345 -24.839 -23.510 1.00 42.76 ? 33 TRP B CH2 1 ? ? +4599 ATOM C CZ3 . TRP B 2 32 ? -7.035 -25.126 -22.333 1.00 43.08 ? 33 TRP B CZ3 1 ? ? +4600 ATOM C CE3 . TRP B 2 32 ? -6.471 -24.858 -21.096 1.00 42.99 ? 33 TRP B CE3 1 ? ? +4601 ATOM C CD2 . TRP B 2 32 ? -5.191 -24.285 -21.042 1.00 42.57 ? 33 TRP B CD2 1 ? ? +4602 ATOM C C . TRP B 2 32 ? -6.307 -22.166 -18.907 1.00 42.66 ? 33 TRP B C 1 ? ? +4603 ATOM O O . TRP B 2 32 ? -6.168 -21.301 -19.770 1.00 42.38 ? 33 TRP B O 1 ? ? +4604 ATOM N N . ALA B 2 33 ? -7.452 -22.830 -18.725 1.00 43.01 ? 34 ALA B N 1 ? ? +4605 ATOM C CA . ALA B 2 33 ? -8.632 -22.540 -19.524 1.00 43.22 ? 34 ALA B CA 1 ? ? +4606 ATOM C CB . ALA B 2 33 ? -9.803 -23.388 -19.081 1.00 43.69 ? 34 ALA B CB 1 ? ? +4607 ATOM C C . ALA B 2 33 ? -8.982 -21.058 -19.450 1.00 43.19 ? 34 ALA B C 1 ? ? +4608 ATOM O O . ALA B 2 33 ? -9.212 -20.430 -20.480 1.00 43.11 ? 34 ALA B O 1 ? ? +4609 ATOM N N . GLY B 2 34 ? -8.975 -20.509 -18.232 1.00 43.32 ? 35 GLY B N 1 ? ? +4610 ATOM C CA . GLY B 2 34 ? -9.224 -19.091 -18.020 1.00 43.42 ? 35 GLY B CA 1 ? ? +4611 ATOM C C . GLY B 2 34 ? -8.187 -18.179 -18.669 1.00 43.09 ? 35 GLY B C 1 ? ? +4612 ATOM O O . GLY B 2 34 ? -8.525 -17.243 -19.395 1.00 43.06 ? 35 GLY B O 1 ? ? +4613 ATOM N N A SER B 2 35 ? -6.910 -18.471 -18.408 0.50 42.83 ? 36 SER B N 1 ? ? +4614 ATOM N N B SER B 2 35 ? -6.913 -18.469 -18.402 0.50 42.83 ? 36 SER B N 1 ? ? +4615 ATOM C CA A SER B 2 35 ? -5.845 -17.667 -18.978 0.50 42.54 ? 36 SER B CA 1 ? ? +4616 ATOM C CA B SER B 2 35 ? -5.832 -17.698 -18.984 0.50 42.54 ? 36 SER B CA 1 ? ? +4617 ATOM C C A SER B 2 35 ? -5.886 -17.729 -20.504 0.50 42.51 ? 36 SER B C 1 ? ? +4618 ATOM C C B SER B 2 35 ? -5.896 -17.729 -20.507 0.50 42.51 ? 36 SER B C 1 ? ? +4619 ATOM O O A SER B 2 35 ? -5.759 -16.699 -21.163 0.50 42.39 ? 36 SER B O 1 ? ? +4620 ATOM O O B SER B 2 35 ? -5.764 -16.696 -21.159 0.50 42.39 ? 36 SER B O 1 ? ? +4621 ATOM C CB A SER B 2 35 ? -4.480 -18.045 -18.389 0.50 42.27 ? 36 SER B CB 1 ? ? +4622 ATOM C CB B SER B 2 35 ? -4.491 -18.222 -18.491 0.50 42.27 ? 36 SER B CB 1 ? ? +4623 ATOM O OG A SER B 2 35 ? -4.144 -19.421 -18.477 0.50 42.23 ? 36 SER B OG 1 ? ? +4624 ATOM O OG B SER B 2 35 ? -4.485 -18.231 -17.072 0.50 42.41 ? 36 SER B OG 1 ? ? +4625 ATOM N N . MET B 2 36 ? -6.122 -18.921 -21.064 1.00 42.71 ? 37 MET B N 1 ? ? +4626 ATOM C CA . MET B 2 36 ? -6.148 -19.082 -22.512 1.00 42.85 ? 37 MET B CA 1 ? ? +4627 ATOM C CB . MET B 2 36 ? -6.304 -20.555 -22.940 1.00 42.97 ? 37 MET B CB 1 ? ? +4628 ATOM C CG . MET B 2 36 ? -6.086 -20.775 -24.434 1.00 42.84 ? 37 MET B CG 1 ? ? +4629 ATOM S SD . MET B 2 36 ? -4.273 -20.772 -24.804 1.00 42.46 ? 37 MET B SD 1 ? ? +4630 ATOM C CE . MET B 2 36 ? -4.153 -19.247 -25.704 1.00 42.33 ? 37 MET B CE 1 ? ? +4631 ATOM C C . MET B 2 36 ? -7.284 -18.261 -23.123 1.00 43.35 ? 37 MET B C 1 ? ? +4632 ATOM O O . MET B 2 36 ? -7.086 -17.619 -24.153 1.00 43.24 ? 37 MET B O 1 ? ? +4633 ATOM N N . ALA B 2 37 ? -8.454 -18.250 -22.463 1.00 44.03 ? 38 ALA B N 1 ? ? +4634 ATOM C CA . ALA B 2 37 ? -9.594 -17.491 -22.957 1.00 44.62 ? 38 ALA B CA 1 ? ? +4635 ATOM C CB . ALA B 2 37 ? -10.844 -17.773 -22.127 1.00 45.07 ? 38 ALA B CB 1 ? ? +4636 ATOM C C . ALA B 2 37 ? -9.277 -16.001 -22.948 1.00 44.88 ? 38 ALA B C 1 ? ? +4637 ATOM O O . ALA B 2 37 ? -9.503 -15.303 -23.929 1.00 44.99 ? 38 ALA B O 1 ? ? +4638 ATOM N N . LEU B 2 38 ? -8.727 -15.519 -21.836 1.00 45.28 ? 39 LEU B N 1 ? ? +4639 ATOM C CA . LEU B 2 38 ? -8.404 -14.107 -21.719 1.00 45.71 ? 39 LEU B CA 1 ? ? +4640 ATOM C CB . LEU B 2 38 ? -7.861 -13.806 -20.333 1.00 45.88 ? 39 LEU B CB 1 ? ? +4641 ATOM C CG . LEU B 2 38 ? -8.915 -13.884 -19.233 1.00 46.50 ? 39 LEU B CG 1 ? ? +4642 ATOM C CD1 . LEU B 2 38 ? -8.282 -13.717 -17.887 1.00 46.59 ? 39 LEU B CD1 1 ? ? +4643 ATOM C CD2 . LEU B 2 38 ? -10.031 -12.827 -19.436 1.00 46.87 ? 39 LEU B CD2 1 ? ? +4644 ATOM C C . LEU B 2 38 ? -7.395 -13.642 -22.763 1.00 45.75 ? 39 LEU B C 1 ? ? +4645 ATOM O O . LEU B 2 38 ? -7.469 -12.503 -23.214 1.00 46.02 ? 39 LEU B O 1 ? ? +4646 ATOM N N . TYR B 2 39 ? -6.455 -14.516 -23.139 1.00 45.78 ? 40 TYR B N 1 ? ? +4647 ATOM C CA . TYR B 2 39 ? -5.450 -14.162 -24.131 1.00 45.67 ? 40 TYR B CA 1 ? ? +4648 ATOM C CB . TYR B 2 39 ? -4.300 -15.163 -24.104 1.00 45.69 ? 40 TYR B CB 1 ? ? +4649 ATOM C CG . TYR B 2 39 ? -3.275 -14.979 -25.194 1.00 45.73 ? 40 TYR B CG 1 ? ? +4650 ATOM C CD1 . TYR B 2 39 ? -2.204 -14.130 -25.025 1.00 45.88 ? 40 TYR B CD1 1 ? ? +4651 ATOM C CD2 . TYR B 2 39 ? -3.372 -15.675 -26.389 1.00 45.94 ? 40 TYR B CD2 1 ? ? +4652 ATOM C CE1 . TYR B 2 39 ? -1.218 -14.005 -26.003 1.00 45.96 ? 40 TYR B CE1 1 ? ? +4653 ATOM C CE2 . TYR B 2 39 ? -2.423 -15.534 -27.389 1.00 45.88 ? 40 TYR B CE2 1 ? ? +4654 ATOM C CZ . TYR B 2 39 ? -1.334 -14.708 -27.187 1.00 45.87 ? 40 TYR B CZ 1 ? ? +4655 ATOM O OH . TYR B 2 39 ? -0.400 -14.561 -28.168 1.00 45.54 ? 40 TYR B OH 1 ? ? +4656 ATOM C C . TYR B 2 39 ? -6.076 -14.121 -25.518 1.00 45.60 ? 40 TYR B C 1 ? ? +4657 ATOM O O . TYR B 2 39 ? -5.754 -13.260 -26.334 1.00 45.35 ? 40 TYR B O 1 ? ? +4658 ATOM N N . GLU B 2 40 ? -6.977 -15.071 -25.777 1.00 46.01 ? 41 GLU B N 1 ? ? +4659 ATOM C CA . GLU B 2 40 ? -7.717 -15.088 -27.030 1.00 46.23 ? 41 GLU B CA 1 ? ? +4660 ATOM C CB . GLU B 2 40 ? -8.542 -16.336 -27.156 1.00 46.34 ? 41 GLU B CB 1 ? ? +4661 ATOM C CG . GLU B 2 40 ? -7.677 -17.548 -27.396 1.00 46.06 ? 41 GLU B CG 1 ? ? +4662 ATOM C CD . GLU B 2 40 ? -8.415 -18.796 -27.802 1.00 46.32 ? 41 GLU B CD 1 ? ? +4663 ATOM O OE1 . GLU B 2 40 ? -9.634 -18.744 -28.061 1.00 46.68 ? 41 GLU B OE1 1 ? ? +4664 ATOM O OE2 . GLU B 2 40 ? -7.757 -19.851 -27.856 1.00 46.36 ? 41 GLU B OE2 1 ? ? +4665 ATOM C C . GLU B 2 40 ? -8.591 -13.851 -27.175 1.00 46.62 ? 41 GLU B C 1 ? ? +4666 ATOM O O . GLU B 2 40 ? -8.623 -13.248 -28.242 1.00 46.57 ? 41 GLU B O 1 ? ? +4667 ATOM N N . LEU B 2 41 ? -9.248 -13.448 -26.085 1.00 47.23 ? 42 LEU B N 1 ? ? +4668 ATOM C CA . LEU B 2 41 ? -10.103 -12.272 -26.121 1.00 47.89 ? 42 LEU B CA 1 ? ? +4669 ATOM C CB . LEU B 2 41 ? -10.919 -12.163 -24.827 1.00 48.28 ? 42 LEU B CB 1 ? ? +4670 ATOM C CG . LEU B 2 41 ? -12.059 -13.178 -24.721 1.00 48.68 ? 42 LEU B CG 1 ? ? +4671 ATOM C CD1 . LEU B 2 41 ? -12.816 -13.052 -23.386 1.00 49.07 ? 42 LEU B CD1 1 ? ? +4672 ATOM C CD2 . LEU B 2 41 ? -13.010 -13.019 -25.877 1.00 49.10 ? 42 LEU B CD2 1 ? ? +4673 ATOM C C . LEU B 2 41 ? -9.288 -11.006 -26.358 1.00 48.03 ? 42 LEU B C 1 ? ? +4674 ATOM O O . LEU B 2 41 ? -9.732 -10.092 -27.024 1.00 48.23 ? 42 LEU B O 1 ? ? +4675 ATOM N N . ALA B 2 42 ? -8.073 -10.959 -25.822 1.00 48.40 ? 43 ALA B N 1 ? ? +4676 ATOM C CA . ALA B 2 42 ? -7.189 -9.821 -26.026 1.00 48.58 ? 43 ALA B CA 1 ? ? +4677 ATOM C CB . ALA B 2 42 ? -6.039 -9.888 -25.052 1.00 48.29 ? 43 ALA B CB 1 ? ? +4678 ATOM C C . ALA B 2 42 ? -6.637 -9.695 -27.444 1.00 48.91 ? 43 ALA B C 1 ? ? +4679 ATOM O O . ALA B 2 42 ? -6.066 -8.661 -27.778 1.00 49.57 ? 43 ALA B O 1 ? ? +4680 ATOM N N . THR B 2 43 ? -6.747 -10.755 -28.254 1.00 49.18 ? 44 THR B N 1 ? ? +4681 ATOM C CA . THR B 2 43 ? -6.187 -10.752 -29.597 1.00 49.16 ? 44 THR B CA 1 ? ? +4682 ATOM C CB . THR B 2 43 ? -5.061 -11.790 -29.676 1.00 48.85 ? 44 THR B CB 1 ? ? +4683 ATOM O OG1 . THR B 2 43 ? -5.560 -13.066 -29.385 1.00 48.79 ? 44 THR B OG1 1 ? ? +4684 ATOM C CG2 . THR B 2 43 ? -3.954 -11.516 -28.685 1.00 48.71 ? 44 THR B CG2 1 ? ? +4685 ATOM C C . THR B 2 43 ? -7.211 -10.990 -30.700 1.00 49.62 ? 44 THR B C 1 ? ? +4686 ATOM O O . THR B 2 43 ? -6.899 -10.825 -31.879 1.00 49.97 ? 44 THR B O 1 ? ? +4687 ATOM N N . PHE B 2 44 ? -8.429 -11.394 -30.320 1.00 49.96 ? 45 PHE B N 1 ? ? +4688 ATOM C CA . PHE B 2 44 ? -9.463 -11.722 -31.289 1.00 50.02 ? 45 PHE B CA 1 ? ? +4689 ATOM C CB . PHE B 2 44 ? -10.629 -12.447 -30.610 1.00 50.05 ? 45 PHE B CB 1 ? ? +4690 ATOM C CG . PHE B 2 44 ? -11.759 -12.832 -31.522 1.00 50.15 ? 45 PHE B CG 1 ? ? +4691 ATOM C CD1 . PHE B 2 44 ? -11.535 -13.625 -32.630 1.00 50.00 ? 45 PHE B CD1 1 ? ? +4692 ATOM C CD2 . PHE B 2 44 ? -13.050 -12.427 -31.257 1.00 50.53 ? 45 PHE B CD2 1 ? ? +4693 ATOM C CE1 . PHE B 2 44 ? -12.589 -13.994 -33.460 1.00 50.41 ? 45 PHE B CE1 1 ? ? +4694 ATOM C CE2 . PHE B 2 44 ? -14.101 -12.798 -32.092 1.00 50.78 ? 45 PHE B CE2 1 ? ? +4695 ATOM C CZ . PHE B 2 44 ? -13.868 -13.573 -33.185 1.00 50.61 ? 45 PHE B CZ 1 ? ? +4696 ATOM C C . PHE B 2 44 ? -9.993 -10.458 -31.945 1.00 50.72 ? 45 PHE B C 1 ? ? +4697 ATOM O O . PHE B 2 44 ? -10.349 -9.516 -31.245 1.00 51.34 ? 45 PHE B O 1 ? ? +4698 ATOM N N . ASP B 2 45 ? -10.079 -10.458 -33.279 1.00 51.21 ? 46 ASP B N 1 ? ? +4699 ATOM C CA . ASP B 2 45 ? -10.803 -9.415 -33.983 1.00 52.05 ? 46 ASP B CA 1 ? ? +4700 ATOM C CB . ASP B 2 45 ? -10.056 -9.020 -35.242 1.00 52.38 ? 46 ASP B CB 1 ? ? +4701 ATOM C CG . ASP B 2 45 ? -10.738 -7.925 -36.021 1.00 53.68 ? 46 ASP B CG 1 ? ? +4702 ATOM O OD1 . ASP B 2 45 ? -11.830 -7.485 -35.603 1.00 54.11 ? 46 ASP B OD1 1 ? ? +4703 ATOM O OD2 . ASP B 2 45 ? -10.196 -7.519 -37.062 1.00 54.90 ? 46 ASP B OD2 1 ? ? +4704 ATOM C C . ASP B 2 45 ? -12.218 -9.898 -34.309 1.00 52.51 ? 46 ASP B C 1 ? ? +4705 ATOM O O . ASP B 2 45 ? -12.400 -10.805 -35.108 1.00 53.04 ? 46 ASP B O 1 ? ? +4706 ATOM N N . PRO B 2 46 ? -13.280 -9.331 -33.696 1.00 52.80 ? 47 PRO B N 1 ? ? +4707 ATOM C CA . PRO B 2 46 ? -14.646 -9.757 -33.991 1.00 52.76 ? 47 PRO B CA 1 ? ? +4708 ATOM C CB . PRO B 2 46 ? -15.346 -9.421 -32.681 1.00 53.14 ? 47 PRO B CB 1 ? ? +4709 ATOM C CG . PRO B 2 46 ? -14.680 -8.161 -32.216 1.00 52.99 ? 47 PRO B CG 1 ? ? +4710 ATOM C CD . PRO B 2 46 ? -13.225 -8.316 -32.628 1.00 52.77 ? 47 PRO B CD 1 ? ? +4711 ATOM C C . PRO B 2 46 ? -15.321 -9.045 -35.160 1.00 52.94 ? 47 PRO B C 1 ? ? +4712 ATOM O O . PRO B 2 46 ? -16.505 -9.244 -35.414 1.00 53.58 ? 47 PRO B O 1 ? ? +4713 ATOM N N . SER B 2 47 ? -14.572 -8.207 -35.872 1.00 52.57 ? 48 SER B N 1 ? ? +4714 ATOM C CA . SER B 2 47 ? -15.164 -7.283 -36.821 1.00 52.66 ? 48 SER B CA 1 ? ? +4715 ATOM C CB . SER B 2 47 ? -14.203 -6.124 -37.060 1.00 52.68 ? 48 SER B CB 1 ? ? +4716 ATOM O OG . SER B 2 47 ? -13.040 -6.592 -37.720 1.00 52.35 ? 48 SER B OG 1 ? ? +4717 ATOM C C . SER B 2 47 ? -15.525 -7.866 -38.181 1.00 52.59 ? 48 SER B C 1 ? ? +4718 ATOM O O . SER B 2 47 ? -16.074 -7.147 -38.992 1.00 53.24 ? 48 SER B O 1 ? ? +4719 ATOM N N . ASP B 2 48 ? -15.173 -9.125 -38.463 1.00 52.46 ? 49 ASP B N 1 ? ? +4720 ATOM C CA . ASP B 2 48 ? -15.510 -9.749 -39.736 1.00 52.70 ? 49 ASP B CA 1 ? ? +4721 ATOM C CB . ASP B 2 48 ? -14.481 -9.446 -40.837 1.00 52.44 ? 49 ASP B CB 1 ? ? +4722 ATOM C CG . ASP B 2 48 ? -14.927 -9.892 -42.225 1.00 52.89 ? 49 ASP B CG 1 ? ? +4723 ATOM O OD1 . ASP B 2 48 ? -15.952 -10.568 -42.338 1.00 52.84 ? 49 ASP B OD1 1 ? ? +4724 ATOM O OD2 . ASP B 2 48 ? -14.256 -9.567 -43.182 1.00 53.96 ? 49 ASP B OD2 1 ? ? +4725 ATOM C C . ASP B 2 48 ? -15.678 -11.261 -39.600 1.00 52.78 ? 49 ASP B C 1 ? ? +4726 ATOM O O . ASP B 2 48 ? -14.740 -12.031 -39.795 1.00 51.88 ? 49 ASP B O 1 ? ? +4727 ATOM N N . PRO B 2 49 ? -16.904 -11.730 -39.267 1.00 53.42 ? 50 PRO B N 1 ? ? +4728 ATOM C CA . PRO B 2 49 ? -17.199 -13.163 -39.223 1.00 53.29 ? 50 PRO B CA 1 ? ? +4729 ATOM C CB . PRO B 2 49 ? -18.636 -13.200 -38.688 1.00 54.17 ? 50 PRO B CB 1 ? ? +4730 ATOM C CG . PRO B 2 49 ? -18.875 -11.837 -38.079 1.00 54.32 ? 50 PRO B CG 1 ? ? +4731 ATOM C CD . PRO B 2 49 ? -18.049 -10.895 -38.864 1.00 53.96 ? 50 PRO B CD 1 ? ? +4732 ATOM C C . PRO B 2 49 ? -17.119 -13.900 -40.561 1.00 53.07 ? 50 PRO B C 1 ? ? +4733 ATOM O O . PRO B 2 49 ? -17.044 -15.125 -40.573 1.00 53.54 ? 50 PRO B O 1 ? ? +4734 ATOM N N . VAL B 2 50 ? -17.163 -13.161 -41.678 1.00 52.65 ? 51 VAL B N 1 ? ? +4735 ATOM C CA . VAL B 2 50 ? -17.239 -13.764 -43.001 1.00 52.27 ? 51 VAL B CA 1 ? ? +4736 ATOM C CB . VAL B 2 50 ? -17.925 -12.813 -43.993 1.00 52.76 ? 51 VAL B CB 1 ? ? +4737 ATOM C CG1 . VAL B 2 50 ? -17.806 -13.315 -45.427 1.00 53.01 ? 51 VAL B CG1 1 ? ? +4738 ATOM C CG2 . VAL B 2 50 ? -19.374 -12.611 -43.620 1.00 53.28 ? 51 VAL B CG2 1 ? ? +4739 ATOM C C . VAL B 2 50 ? -15.868 -14.194 -43.515 1.00 51.27 ? 51 VAL B C 1 ? ? +4740 ATOM O O . VAL B 2 50 ? -15.677 -15.357 -43.840 1.00 51.22 ? 51 VAL B O 1 ? ? +4741 ATOM N N . LEU B 2 51 ? -14.923 -13.255 -43.593 1.00 50.42 ? 52 LEU B N 1 ? ? +4742 ATOM C CA . LEU B 2 51 ? -13.607 -13.537 -44.151 1.00 49.49 ? 52 LEU B CA 1 ? ? +4743 ATOM C CB . LEU B 2 51 ? -13.240 -12.507 -45.232 1.00 49.56 ? 52 LEU B CB 1 ? ? +4744 ATOM C CG . LEU B 2 51 ? -14.115 -12.524 -46.480 1.00 50.06 ? 52 LEU B CG 1 ? ? +4745 ATOM C CD1 . LEU B 2 51 ? -13.617 -11.550 -47.521 1.00 50.14 ? 52 LEU B CD1 1 ? ? +4746 ATOM C CD2 . LEU B 2 51 ? -14.193 -13.905 -47.090 1.00 50.15 ? 52 LEU B CD2 1 ? ? +4747 ATOM C C . LEU B 2 51 ? -12.486 -13.562 -43.123 1.00 48.52 ? 52 LEU B C 1 ? ? +4748 ATOM O O . LEU B 2 51 ? -11.352 -13.863 -43.479 1.00 48.55 ? 52 LEU B O 1 ? ? +4749 ATOM N N . ASN B 2 52 ? -12.794 -13.250 -41.862 1.00 47.96 ? 53 ASN B N 1 ? ? +4750 ATOM C CA . ASN B 2 52 ? -11.829 -13.391 -40.789 1.00 46.91 ? 53 ASN B CA 1 ? ? +4751 ATOM C CB . ASN B 2 52 ? -11.247 -12.063 -40.443 1.00 46.54 ? 53 ASN B CB 1 ? ? +4752 ATOM C CG . ASN B 2 52 ? -9.988 -12.207 -39.599 1.00 45.79 ? 53 ASN B CG 1 ? ? +4753 ATOM O OD1 . ASN B 2 52 ? -9.311 -13.242 -39.563 1.00 45.11 ? 53 ASN B OD1 1 ? ? +4754 ATOM N ND2 . ASN B 2 52 ? -9.702 -11.172 -38.891 1.00 45.66 ? 53 ASN B ND2 1 ? ? +4755 ATOM C C . ASN B 2 52 ? -12.407 -14.039 -39.536 1.00 46.95 ? 53 ASN B C 1 ? ? +4756 ATOM O O . ASN B 2 52 ? -12.377 -13.464 -38.451 1.00 46.68 ? 53 ASN B O 1 ? ? +4757 ATOM N N . PRO B 2 53 ? -12.959 -15.264 -39.647 1.00 47.39 ? 54 PRO B N 1 ? ? +4758 ATOM C CA . PRO B 2 53 ? -13.545 -15.946 -38.497 1.00 47.61 ? 54 PRO B CA 1 ? ? +4759 ATOM C CB . PRO B 2 53 ? -14.342 -17.076 -39.152 1.00 47.95 ? 54 PRO B CB 1 ? ? +4760 ATOM C CG . PRO B 2 53 ? -13.564 -17.382 -40.413 1.00 47.74 ? 54 PRO B CG 1 ? ? +4761 ATOM C CD . PRO B 2 53 ? -13.107 -16.038 -40.894 1.00 47.63 ? 54 PRO B CD 1 ? ? +4762 ATOM C C . PRO B 2 53 ? -12.468 -16.459 -37.549 1.00 47.37 ? 54 PRO B C 1 ? ? +4763 ATOM O O . PRO B 2 53 ? -11.289 -16.486 -37.902 1.00 47.03 ? 54 PRO B O 1 ? ? +4764 ATOM N N . MET B 2 54 ? -12.908 -16.896 -36.361 1.00 47.47 ? 55 MET B N 1 ? ? +4765 ATOM C CA . MET B 2 54 ? -12.017 -17.289 -35.287 1.00 47.09 ? 55 MET B CA 1 ? ? +4766 ATOM C CB . MET B 2 54 ? -12.793 -17.915 -34.114 1.00 47.49 ? 55 MET B CB 1 ? ? +4767 ATOM C CG . MET B 2 54 ? -13.668 -19.054 -34.479 1.00 48.13 ? 55 MET B CG 1 ? ? +4768 ATOM S SD . MET B 2 54 ? -14.614 -19.665 -33.039 1.00 48.98 ? 55 MET B SD 1 ? ? +4769 ATOM C CE . MET B 2 54 ? -15.835 -18.430 -32.925 1.00 49.52 ? 55 MET B CE 1 ? ? +4770 ATOM C C . MET B 2 54 ? -10.942 -18.265 -35.762 1.00 46.66 ? 55 MET B C 1 ? ? +4771 ATOM O O . MET B 2 54 ? -9.787 -18.175 -35.330 1.00 46.19 ? 55 MET B O 1 ? ? +4772 ATOM N N . TRP B 2 55 ? -11.329 -19.193 -36.646 1.00 46.58 ? 56 TRP B N 1 ? ? +4773 ATOM C CA . TRP B 2 55 ? -10.426 -20.263 -37.036 1.00 46.21 ? 56 TRP B CA 1 ? ? +4774 ATOM C CB . TRP B 2 55 ? -11.179 -21.436 -37.681 1.00 46.27 ? 56 TRP B CB 1 ? ? +4775 ATOM C CG . TRP B 2 55 ? -12.081 -21.086 -38.811 1.00 46.45 ? 56 TRP B CG 1 ? ? +4776 ATOM C CD1 . TRP B 2 55 ? -13.425 -20.860 -38.728 1.00 46.80 ? 56 TRP B CD1 1 ? ? +4777 ATOM N NE1 . TRP B 2 55 ? -13.930 -20.586 -39.965 1.00 46.98 ? 56 TRP B NE1 1 ? ? +4778 ATOM C CE2 . TRP B 2 55 ? -12.936 -20.684 -40.896 1.00 46.59 ? 56 TRP B CE2 1 ? ? +4779 ATOM C CZ2 . TRP B 2 55 ? -12.978 -20.508 -42.273 1.00 46.65 ? 56 TRP B CZ2 1 ? ? +4780 ATOM C CH2 . TRP B 2 55 ? -11.800 -20.660 -42.964 1.00 46.43 ? 56 TRP B CH2 1 ? ? +4781 ATOM C CZ3 . TRP B 2 55 ? -10.593 -20.987 -42.308 1.00 45.89 ? 56 TRP B CZ3 1 ? ? +4782 ATOM C CE3 . TRP B 2 55 ? -10.550 -21.159 -40.936 1.00 45.81 ? 56 TRP B CE3 1 ? ? +4783 ATOM C CD2 . TRP B 2 55 ? -11.747 -21.007 -40.204 1.00 46.28 ? 56 TRP B CD2 1 ? ? +4784 ATOM C C . TRP B 2 55 ? -9.290 -19.830 -37.961 1.00 45.97 ? 56 TRP B C 1 ? ? +4785 ATOM O O . TRP B 2 55 ? -8.423 -20.638 -38.245 1.00 45.72 ? 56 TRP B O 1 ? ? +4786 ATOM N N . ARG B 2 56 ? -9.357 -18.595 -38.475 1.00 46.17 ? 57 ARG B N 1 ? ? +4787 ATOM C CA . ARG B 2 56 ? -8.301 -17.991 -39.264 1.00 45.89 ? 57 ARG B CA 1 ? ? +4788 ATOM C CB . ARG B 2 56 ? -8.886 -16.969 -40.235 1.00 46.19 ? 57 ARG B CB 1 ? ? +4789 ATOM C CG . ARG B 2 56 ? -9.688 -17.536 -41.392 1.00 46.63 ? 57 ARG B CG 1 ? ? +4790 ATOM C CD . ARG B 2 56 ? -8.809 -18.070 -42.502 1.00 46.58 ? 57 ARG B CD 1 ? ? +4791 ATOM N NE . ARG B 2 56 ? -7.980 -17.027 -43.087 1.00 46.52 ? 57 ARG B NE 1 ? ? +4792 ATOM C CZ . ARG B 2 56 ? -6.894 -17.233 -43.825 1.00 46.18 ? 57 ARG B CZ 1 ? ? +4793 ATOM N NH1 . ARG B 2 56 ? -6.672 -18.390 -44.426 1.00 46.09 ? 57 ARG B NH1 1 ? ? +4794 ATOM N NH2 . ARG B 2 56 ? -6.032 -16.235 -43.992 1.00 46.01 ? 57 ARG B NH2 1 ? ? +4795 ATOM C C . ARG B 2 56 ? -7.294 -17.289 -38.357 1.00 45.65 ? 57 ARG B C 1 ? ? +4796 ATOM O O . ARG B 2 56 ? -6.194 -16.967 -38.795 1.00 45.41 ? 57 ARG B O 1 ? ? +4797 ATOM N N . GLN B 2 57 ? -7.707 -17.058 -37.103 1.00 45.78 ? 58 GLN B N 1 ? ? +4798 ATOM C CA . GLN B 2 57 ? -6.998 -16.224 -36.147 1.00 45.42 ? 58 GLN B CA 1 ? ? +4799 ATOM C CB . GLN B 2 57 ? -8.010 -15.248 -35.491 1.00 45.76 ? 58 GLN B CB 1 ? ? +4800 ATOM C CG . GLN B 2 57 ? -8.593 -14.239 -36.453 1.00 46.07 ? 58 GLN B CG 1 ? ? +4801 ATOM C CD . GLN B 2 57 ? -9.442 -13.225 -35.726 1.00 46.60 ? 58 GLN B CD 1 ? ? +4802 ATOM O OE1 . GLN B 2 57 ? -9.005 -12.616 -34.773 1.00 46.65 ? 58 GLN B OE1 1 ? ? +4803 ATOM N NE2 . GLN B 2 57 ? -10.703 -13.007 -36.141 1.00 47.14 ? 58 GLN B NE2 1 ? ? +4804 ATOM C C . GLN B 2 57 ? -6.292 -17.012 -35.048 1.00 45.09 ? 58 GLN B C 1 ? ? +4805 ATOM O O . GLN B 2 57 ? -5.808 -16.427 -34.085 1.00 44.88 ? 58 GLN B O 1 ? ? +4806 ATOM N N . GLY B 2 58 ? -6.199 -18.334 -35.203 1.00 45.14 ? 59 GLY B N 1 ? ? +4807 ATOM C CA . GLY B 2 58 ? -5.511 -19.165 -34.225 1.00 45.02 ? 59 GLY B CA 1 ? ? +4808 ATOM C C . GLY B 2 58 ? -6.239 -19.369 -32.897 1.00 45.37 ? 59 GLY B C 1 ? ? +4809 ATOM O O . GLY B 2 58 ? -5.615 -19.633 -31.866 1.00 45.15 ? 59 GLY B O 1 ? ? +4810 ATOM N N . MET B 2 59 ? -7.575 -19.278 -32.933 1.00 45.89 ? 60 MET B N 1 ? ? +4811 ATOM C CA . MET B 2 59 ? -8.378 -19.358 -31.725 1.00 46.26 ? 60 MET B CA 1 ? ? +4812 ATOM C CB . MET B 2 59 ? -9.725 -18.625 -31.904 1.00 47.08 ? 60 MET B CB 1 ? ? +4813 ATOM C CG . MET B 2 59 ? -9.594 -17.127 -32.082 1.00 47.41 ? 60 MET B CG 1 ? ? +4814 ATOM S SD . MET B 2 59 ? -8.813 -16.304 -30.683 1.00 48.19 ? 60 MET B SD 1 ? ? +4815 ATOM C CE . MET B 2 59 ? -7.594 -15.347 -31.466 1.00 47.87 ? 60 MET B CE 1 ? ? +4816 ATOM C C . MET B 2 59 ? -8.605 -20.834 -31.415 1.00 46.16 ? 60 MET B C 1 ? ? +4817 ATOM O O . MET B 2 59 ? -8.990 -21.600 -32.288 1.00 46.42 ? 60 MET B O 1 ? ? +4818 ATOM N N . PHE B 2 60 ? -8.387 -21.235 -30.163 1.00 45.91 ? 61 PHE B N 1 ? ? +4819 ATOM C CA . PHE B 2 60 ? -8.451 -22.638 -29.800 1.00 45.92 ? 61 PHE B CA 1 ? ? +4820 ATOM C CB . PHE B 2 60 ? -7.145 -23.054 -29.168 1.00 45.40 ? 61 PHE B CB 1 ? ? +4821 ATOM C CG . PHE B 2 60 ? -6.993 -24.515 -28.911 1.00 45.36 ? 61 PHE B CG 1 ? ? +4822 ATOM C CD1 . PHE B 2 60 ? -7.170 -25.429 -29.928 1.00 45.61 ? 61 PHE B CD1 1 ? ? +4823 ATOM C CD2 . PHE B 2 60 ? -6.640 -24.979 -27.660 1.00 45.29 ? 61 PHE B CD2 1 ? ? +4824 ATOM C CE1 . PHE B 2 60 ? -7.001 -26.789 -29.699 1.00 45.79 ? 61 PHE B CE1 1 ? ? +4825 ATOM C CE2 . PHE B 2 60 ? -6.463 -26.332 -27.431 1.00 45.51 ? 61 PHE B CE2 1 ? ? +4826 ATOM C CZ . PHE B 2 60 ? -6.645 -27.234 -28.451 1.00 45.73 ? 61 PHE B CZ 1 ? ? +4827 ATOM C C . PHE B 2 60 ? -9.585 -22.985 -28.843 1.00 46.46 ? 61 PHE B C 1 ? ? +4828 ATOM O O . PHE B 2 60 ? -10.239 -24.003 -29.029 1.00 46.50 ? 61 PHE B O 1 ? ? +4829 ATOM N N . VAL B 2 61 ? -9.748 -22.173 -27.791 1.00 46.87 ? 62 VAL B N 1 ? ? +4830 ATOM C CA . VAL B 2 61 ? -10.780 -22.388 -26.786 1.00 47.67 ? 62 VAL B CA 1 ? ? +4831 ATOM C CB . VAL B 2 61 ? -10.315 -21.986 -25.366 1.00 47.64 ? 62 VAL B CB 1 ? ? +4832 ATOM C CG1 . VAL B 2 61 ? -9.245 -22.927 -24.858 1.00 47.48 ? 62 VAL B CG1 1 ? ? +4833 ATOM C CG2 . VAL B 2 61 ? -9.834 -20.536 -25.297 1.00 47.39 ? 62 VAL B CG2 1 ? ? +4834 ATOM C C . VAL B 2 61 ? -12.084 -21.664 -27.129 1.00 48.28 ? 62 VAL B C 1 ? ? +4835 ATOM O O . VAL B 2 61 ? -13.151 -22.106 -26.756 1.00 48.71 ? 62 VAL B O 1 ? ? +4836 ATOM N N . LEU B 2 62 ? -11.990 -20.553 -27.849 1.00 48.76 ? 63 LEU B N 1 ? ? +4837 ATOM C CA . LEU B 2 62 ? -13.152 -19.786 -28.246 1.00 49.73 ? 63 LEU B CA 1 ? ? +4838 ATOM C CB . LEU B 2 62 ? -12.715 -18.644 -29.171 1.00 50.47 ? 63 LEU B CB 1 ? ? +4839 ATOM C CG . LEU B 2 62 ? -13.412 -17.337 -28.945 1.00 51.95 ? 63 LEU B CG 1 ? ? +4840 ATOM C CD1 . LEU B 2 62 ? -13.019 -16.743 -27.616 1.00 52.38 ? 63 LEU B CD1 1 ? ? +4841 ATOM C CD2 . LEU B 2 62 ? -13.065 -16.341 -30.007 1.00 52.34 ? 63 LEU B CD2 1 ? ? +4842 ATOM C C . LEU B 2 62 ? -14.199 -20.661 -28.932 1.00 49.82 ? 63 LEU B C 1 ? ? +4843 ATOM O O . LEU B 2 62 ? -15.376 -20.557 -28.602 1.00 49.86 ? 63 LEU B O 1 ? ? +4844 ATOM N N . PRO B 2 63 ? -13.811 -21.534 -29.897 1.00 49.31 ? 64 PRO B N 1 ? ? +4845 ATOM C CA . PRO B 2 63 ? -14.761 -22.431 -30.550 1.00 49.26 ? 64 PRO B CA 1 ? ? +4846 ATOM C CB . PRO B 2 63 ? -13.911 -23.194 -31.562 1.00 48.98 ? 64 PRO B CB 1 ? ? +4847 ATOM C CG . PRO B 2 63 ? -12.485 -22.958 -31.166 1.00 48.68 ? 64 PRO B CG 1 ? ? +4848 ATOM C CD . PRO B 2 63 ? -12.443 -21.671 -30.435 1.00 48.71 ? 64 PRO B CD 1 ? ? +4849 ATOM C C . PRO B 2 63 ? -15.462 -23.392 -29.595 1.00 49.52 ? 64 PRO B C 1 ? ? +4850 ATOM O O . PRO B 2 63 ? -16.612 -23.784 -29.834 1.00 49.94 ? 64 PRO B O 1 ? ? +4851 ATOM N N . PHE B 2 64 ? -14.770 -23.777 -28.517 1.00 49.03 ? 65 PHE B N 1 ? ? +4852 ATOM C CA . PHE B 2 64 ? -15.348 -24.704 -27.557 1.00 49.21 ? 65 PHE B CA 1 ? ? +4853 ATOM C CB . PHE B 2 64 ? -14.273 -25.344 -26.678 1.00 48.74 ? 65 PHE B CB 1 ? ? +4854 ATOM C CG . PHE B 2 64 ? -13.480 -26.343 -27.474 1.00 48.52 ? 65 PHE B CG 1 ? ? +4855 ATOM C CD1 . PHE B 2 64 ? -12.372 -25.947 -28.194 1.00 47.99 ? 65 PHE B CD1 1 ? ? +4856 ATOM C CD2 . PHE B 2 64 ? -13.891 -27.659 -27.573 1.00 48.82 ? 65 PHE B CD2 1 ? ? +4857 ATOM C CE1 . PHE B 2 64 ? -11.656 -26.863 -28.955 1.00 47.84 ? 65 PHE B CE1 1 ? ? +4858 ATOM C CE2 . PHE B 2 64 ? -13.181 -28.566 -28.344 1.00 48.74 ? 65 PHE B CE2 1 ? ? +4859 ATOM C CZ . PHE B 2 64 ? -12.058 -28.170 -29.019 1.00 48.17 ? 65 PHE B CZ 1 ? ? +4860 ATOM C C . PHE B 2 64 ? -16.439 -24.055 -26.708 1.00 49.54 ? 65 PHE B C 1 ? ? +4861 ATOM O O . PHE B 2 64 ? -17.415 -24.720 -26.314 1.00 49.68 ? 65 PHE B O 1 ? ? +4862 ATOM N N . MET B 2 65 ? -16.224 -22.763 -26.423 1.00 49.28 ? 66 MET B N 1 ? ? +4863 ATOM C CA . MET B 2 65 ? -17.193 -21.966 -25.698 1.00 49.67 ? 66 MET B CA 1 ? ? +4864 ATOM C CB . MET B 2 65 ? -16.575 -20.629 -25.247 1.00 49.61 ? 66 MET B CB 1 ? ? +4865 ATOM C CG . MET B 2 65 ? -15.744 -20.784 -24.000 1.00 49.71 ? 66 MET B CG 1 ? ? +4866 ATOM S SD . MET B 2 65 ? -15.064 -19.251 -23.310 1.00 49.97 ? 66 MET B SD 1 ? ? +4867 ATOM C CE . MET B 2 65 ? -14.009 -18.753 -24.600 1.00 49.24 ? 66 MET B CE 1 ? ? +4868 ATOM C C . MET B 2 65 ? -18.405 -21.764 -26.603 1.00 49.78 ? 66 MET B C 1 ? ? +4869 ATOM O O . MET B 2 65 ? -19.535 -22.003 -26.187 1.00 50.19 ? 66 MET B O 1 ? ? +4870 ATOM N N . ALA B 2 66 ? -18.133 -21.357 -27.850 1.00 49.23 ? 67 ALA B N 1 ? ? +4871 ATOM C CA . ALA B 2 66 ? -19.164 -21.140 -28.846 1.00 49.42 ? 67 ALA B CA 1 ? ? +4872 ATOM C CB . ALA B 2 66 ? -18.534 -20.655 -30.138 1.00 49.10 ? 67 ALA B CB 1 ? ? +4873 ATOM C C . ALA B 2 66 ? -19.997 -22.387 -29.114 1.00 49.58 ? 67 ALA B C 1 ? ? +4874 ATOM O O . ALA B 2 66 ? -21.219 -22.287 -29.233 1.00 50.10 ? 67 ALA B O 1 ? ? +4875 ATOM N N . ARG B 2 67 ? -19.320 -23.537 -29.218 1.00 48.96 ? 68 ARG B N 1 ? ? +4876 ATOM C CA . ARG B 2 67 ? -19.975 -24.795 -29.518 1.00 49.16 ? 68 ARG B CA 1 ? ? +4877 ATOM C CB . ARG B 2 67 ? -18.990 -25.966 -29.423 1.00 48.79 ? 68 ARG B CB 1 ? ? +4878 ATOM C CG . ARG B 2 67 ? -19.596 -27.307 -29.824 1.00 49.24 ? 68 ARG B CG 1 ? ? +4879 ATOM C CD . ARG B 2 67 ? -18.592 -28.435 -29.951 1.00 48.93 ? 68 ARG B CD 1 ? ? +4880 ATOM N NE . ARG B 2 67 ? -17.943 -28.764 -28.687 1.00 48.73 ? 68 ARG B NE 1 ? ? +4881 ATOM C CZ . ARG B 2 67 ? -17.140 -29.810 -28.506 1.00 48.46 ? 68 ARG B CZ 1 ? ? +4882 ATOM N NH1 . ARG B 2 67 ? -16.763 -30.573 -29.517 1.00 48.33 ? 68 ARG B NH1 1 ? ? +4883 ATOM N NH2 . ARG B 2 67 ? -16.735 -30.117 -27.275 1.00 48.39 ? 68 ARG B NH2 1 ? ? +4884 ATOM C C . ARG B 2 67 ? -21.171 -25.058 -28.604 1.00 49.64 ? 68 ARG B C 1 ? ? +4885 ATOM O O . ARG B 2 67 ? -22.162 -25.613 -29.056 1.00 50.02 ? 68 ARG B O 1 ? ? +4886 ATOM N N . LEU B 2 68 ? -21.056 -24.675 -27.324 1.00 49.49 ? 69 LEU B N 1 ? ? +4887 ATOM C CA . LEU B 2 68 ? -22.075 -24.983 -26.337 1.00 50.00 ? 69 LEU B CA 1 ? ? +4888 ATOM C CB . LEU B 2 68 ? -21.392 -25.546 -25.090 1.00 49.60 ? 69 LEU B CB 1 ? ? +4889 ATOM C CG . LEU B 2 68 ? -20.790 -26.908 -25.224 1.00 49.37 ? 69 LEU B CG 1 ? ? +4890 ATOM C CD1 . LEU B 2 68 ? -20.498 -27.478 -23.864 1.00 49.40 ? 69 LEU B CD1 1 ? ? +4891 ATOM C CD2 . LEU B 2 68 ? -21.636 -27.878 -25.977 1.00 49.79 ? 69 LEU B CD2 1 ? ? +4892 ATOM C C . LEU B 2 68 ? -22.972 -23.815 -25.923 1.00 50.45 ? 69 LEU B C 1 ? ? +4893 ATOM O O . LEU B 2 68 ? -23.758 -23.956 -24.991 1.00 50.86 ? 69 LEU B O 1 ? ? +4894 ATOM N N . GLY B 2 69 ? -22.849 -22.667 -26.598 1.00 50.41 ? 70 GLY B N 1 ? ? +4895 ATOM C CA . GLY B 2 69 ? -23.823 -21.600 -26.429 1.00 50.92 ? 70 GLY B CA 1 ? ? +4896 ATOM C C . GLY B 2 69 ? -23.282 -20.229 -26.040 1.00 50.70 ? 70 GLY B C 1 ? ? +4897 ATOM O O . GLY B 2 69 ? -24.041 -19.271 -25.982 1.00 51.08 ? 70 GLY B O 1 ? ? +4898 ATOM N N . VAL B 2 70 ? -21.985 -20.135 -25.749 1.00 50.18 ? 71 VAL B N 1 ? ? +4899 ATOM C CA . VAL B 2 70 ? -21.394 -18.858 -25.397 1.00 49.99 ? 71 VAL B CA 1 ? ? +4900 ATOM C CB . VAL B 2 70 ? -20.237 -19.026 -24.384 1.00 49.54 ? 71 VAL B CB 1 ? ? +4901 ATOM C CG1 . VAL B 2 70 ? -19.495 -17.715 -24.160 1.00 49.08 ? 71 VAL B CG1 1 ? ? +4902 ATOM C CG2 . VAL B 2 70 ? -20.771 -19.575 -23.064 1.00 49.99 ? 71 VAL B CG2 1 ? ? +4903 ATOM C C . VAL B 2 70 ? -20.916 -18.178 -26.671 1.00 49.78 ? 71 VAL B C 1 ? ? +4904 ATOM O O . VAL B 2 70 ? -19.869 -18.528 -27.188 1.00 49.56 ? 71 VAL B O 1 ? ? +4905 ATOM N N . THR B 2 71 ? -21.652 -17.167 -27.128 1.00 50.10 ? 72 THR B N 1 ? ? +4906 ATOM C CA . THR B 2 71 ? -21.347 -16.498 -28.379 1.00 49.87 ? 72 THR B CA 1 ? ? +4907 ATOM C CB . THR B 2 71 ? -22.573 -16.615 -29.278 1.00 50.52 ? 72 THR B CB 1 ? ? +4908 ATOM O OG1 . THR B 2 71 ? -23.645 -15.894 -28.646 1.00 50.77 ? 72 THR B OG1 1 ? ? +4909 ATOM C CG2 . THR B 2 71 ? -22.961 -18.035 -29.504 1.00 50.80 ? 72 THR B CG2 1 ? ? +4910 ATOM C C . THR B 2 71 ? -21.065 -15.008 -28.278 1.00 49.71 ? 72 THR B C 1 ? ? +4911 ATOM O O . THR B 2 71 ? -20.853 -14.364 -29.294 1.00 49.67 ? 72 THR B O 1 ? ? +4912 ATOM N N . GLY B 2 72 ? -21.122 -14.453 -27.067 1.00 49.84 ? 73 GLY B N 1 ? ? +4913 ATOM C CA . GLY B 2 72 ? -21.189 -13.012 -26.900 1.00 49.96 ? 73 GLY B CA 1 ? ? +4914 ATOM C C . GLY B 2 72 ? -20.162 -12.448 -25.931 1.00 49.55 ? 73 GLY B C 1 ? ? +4915 ATOM O O . GLY B 2 72 ? -19.697 -13.149 -25.035 1.00 49.30 ? 73 GLY B O 1 ? ? +4916 ATOM N N . SER B 2 73 ? -19.840 -11.165 -26.131 1.00 49.55 ? 74 SER B N 1 ? ? +4917 ATOM C CA . SER B 2 73 ? -18.914 -10.456 -25.267 1.00 49.46 ? 74 SER B CA 1 ? ? +4918 ATOM C CB . SER B 2 73 ? -17.757 -9.835 -26.059 1.00 48.82 ? 74 SER B CB 1 ? ? +4919 ATOM O OG . SER B 2 73 ? -17.087 -8.892 -25.244 1.00 48.44 ? 74 SER B OG 1 ? ? +4920 ATOM C C . SER B 2 73 ? -19.673 -9.375 -24.516 1.00 50.06 ? 74 SER B C 1 ? ? +4921 ATOM O O . SER B 2 73 ? -20.584 -8.792 -25.071 1.00 50.20 ? 74 SER B O 1 ? ? +4922 ATOM N N . TRP B 2 74 ? -19.242 -9.101 -23.278 1.00 50.45 ? 75 TRP B N 1 ? ? +4923 ATOM C CA . TRP B 2 74 ? -19.740 -7.967 -22.517 1.00 51.19 ? 75 TRP B CA 1 ? ? +4924 ATOM C CB . TRP B 2 74 ? -19.026 -7.874 -21.157 1.00 50.93 ? 75 TRP B CB 1 ? ? +4925 ATOM C CG . TRP B 2 74 ? -19.415 -8.887 -20.138 1.00 51.09 ? 75 TRP B CG 1 ? ? +4926 ATOM C CD1 . TRP B 2 74 ? -20.562 -9.605 -20.090 1.00 51.64 ? 75 TRP B CD1 1 ? ? +4927 ATOM N NE1 . TRP B 2 74 ? -20.552 -10.443 -19.003 1.00 51.84 ? 75 TRP B NE1 1 ? ? +4928 ATOM C CE2 . TRP B 2 74 ? -19.373 -10.282 -18.327 1.00 51.28 ? 75 TRP B CE2 1 ? ? +4929 ATOM C CZ2 . TRP B 2 74 ? -18.904 -10.901 -17.172 1.00 51.20 ? 75 TRP B CZ2 1 ? ? +4930 ATOM C CH2 . TRP B 2 74 ? -17.645 -10.533 -16.723 1.00 50.84 ? 75 TRP B CH2 1 ? ? +4931 ATOM C CZ3 . TRP B 2 74 ? -16.876 -9.576 -17.394 1.00 50.30 ? 75 TRP B CZ3 1 ? ? +4932 ATOM C CE3 . TRP B 2 74 ? -17.344 -8.963 -18.541 1.00 50.41 ? 75 TRP B CE3 1 ? ? +4933 ATOM C CD2 . TRP B 2 74 ? -18.624 -9.313 -19.023 1.00 50.95 ? 75 TRP B CD2 1 ? ? +4934 ATOM C C . TRP B 2 74 ? -19.560 -6.630 -23.234 1.00 51.66 ? 75 TRP B C 1 ? ? +4935 ATOM O O . TRP B 2 74 ? -20.225 -5.656 -22.897 1.00 52.02 ? 75 TRP B O 1 ? ? +4936 ATOM N N . SER B 2 75 ? -18.620 -6.565 -24.187 1.00 51.98 ? 76 SER B N 1 ? ? +4937 ATOM C CA . SER B 2 75 ? -18.364 -5.325 -24.902 1.00 52.29 ? 76 SER B CA 1 ? ? +4938 ATOM C CB . SER B 2 75 ? -16.919 -5.284 -25.383 1.00 51.93 ? 76 SER B CB 1 ? ? +4939 ATOM O OG . SER B 2 75 ? -16.706 -6.229 -26.406 1.00 52.09 ? 76 SER B OG 1 ? ? +4940 ATOM C C . SER B 2 75 ? -19.346 -5.113 -26.054 1.00 52.73 ? 76 SER B C 1 ? ? +4941 ATOM O O . SER B 2 75 ? -19.255 -4.124 -26.774 1.00 52.85 ? 76 SER B O 1 ? ? +4942 ATOM N N . GLY B 2 76 ? -20.265 -6.062 -26.245 1.00 53.27 ? 77 GLY B N 1 ? ? +4943 ATOM C CA . GLY B 2 76 ? -21.443 -5.840 -27.071 1.00 53.88 ? 77 GLY B CA 1 ? ? +4944 ATOM C C . GLY B 2 76 ? -21.481 -6.528 -28.435 1.00 54.01 ? 77 GLY B C 1 ? ? +4945 ATOM O O . GLY B 2 76 ? -22.428 -6.326 -29.190 1.00 54.67 ? 77 GLY B O 1 ? ? +4946 ATOM N N . TRP B 2 77 ? -20.459 -7.333 -28.749 1.00 53.64 ? 78 TRP B N 1 ? ? +4947 ATOM C CA . TRP B 2 77 ? -20.409 -8.055 -30.008 1.00 53.58 ? 78 TRP B CA 1 ? ? +4948 ATOM C CB . TRP B 2 77 ? -19.090 -7.803 -30.717 1.00 53.56 ? 78 TRP B CB 1 ? ? +4949 ATOM C CG . TRP B 2 77 ? -17.851 -8.147 -29.940 1.00 53.02 ? 78 TRP B CG 1 ? ? +4950 ATOM C CD1 . TRP B 2 77 ? -17.021 -7.272 -29.324 1.00 52.94 ? 78 TRP B CD1 1 ? ? +4951 ATOM N NE1 . TRP B 2 77 ? -15.960 -7.945 -28.748 1.00 52.79 ? 78 TRP B NE1 1 ? ? +4952 ATOM C CE2 . TRP B 2 77 ? -16.092 -9.282 -28.996 1.00 52.38 ? 78 TRP B CE2 1 ? ? +4953 ATOM C CZ2 . TRP B 2 77 ? -15.292 -10.348 -28.609 1.00 51.69 ? 78 TRP B CZ2 1 ? ? +4954 ATOM C CH2 . TRP B 2 77 ? -15.675 -11.597 -29.003 1.00 51.99 ? 78 TRP B CH2 1 ? ? +4955 ATOM C CZ3 . TRP B 2 77 ? -16.845 -11.806 -29.748 1.00 52.69 ? 78 TRP B CZ3 1 ? ? +4956 ATOM C CE3 . TRP B 2 77 ? -17.647 -10.746 -30.131 1.00 52.98 ? 78 TRP B CE3 1 ? ? +4957 ATOM C CD2 . TRP B 2 77 ? -17.277 -9.450 -29.746 1.00 52.91 ? 78 TRP B CD2 1 ? ? +4958 ATOM C C . TRP B 2 77 ? -20.620 -9.549 -29.801 1.00 53.58 ? 78 TRP B C 1 ? ? +4959 ATOM O O . TRP B 2 77 ? -20.513 -10.056 -28.689 1.00 53.41 ? 78 TRP B O 1 ? ? +4960 ATOM N N . SER B 2 78 ? -20.934 -10.242 -30.898 1.00 53.97 ? 79 SER B N 1 ? ? +4961 ATOM C CA . SER B 2 78 ? -21.153 -11.678 -30.886 1.00 54.20 ? 79 SER B CA 1 ? ? +4962 ATOM C CB . SER B 2 78 ? -22.651 -12.029 -30.925 1.00 54.71 ? 79 SER B CB 1 ? ? +4963 ATOM O OG . SER B 2 78 ? -23.159 -11.989 -32.248 1.00 54.72 ? 79 SER B OG 1 ? ? +4964 ATOM C C . SER B 2 78 ? -20.430 -12.255 -32.095 1.00 54.35 ? 79 SER B C 1 ? ? +4965 ATOM O O . SER B 2 78 ? -20.155 -11.534 -33.048 1.00 54.28 ? 79 SER B O 1 ? ? +4966 ATOM N N . ILE B 2 79 ? -20.143 -13.556 -32.056 1.00 55.13 ? 80 ILE B N 1 ? ? +4967 ATOM C CA . ILE B 2 79 ? -19.385 -14.189 -33.127 1.00 55.95 ? 80 ILE B CA 1 ? ? +4968 ATOM C CB . ILE B 2 79 ? -18.803 -15.542 -32.694 1.00 56.09 ? 80 ILE B CB 1 ? ? +4969 ATOM C CG1 . ILE B 2 79 ? -19.930 -16.472 -32.193 1.00 57.05 ? 80 ILE B CG1 1 ? ? +4970 ATOM C CG2 . ILE B 2 79 ? -17.688 -15.359 -31.658 1.00 55.41 ? 80 ILE B CG2 1 ? ? +4971 ATOM C CD1 . ILE B 2 79 ? -19.493 -17.857 -32.079 1.00 57.28 ? 80 ILE B CD1 1 ? ? +4972 ATOM C C . ILE B 2 79 ? -20.199 -14.366 -34.405 1.00 57.20 ? 80 ILE B C 1 ? ? +4973 ATOM O O . ILE B 2 79 ? -19.636 -14.689 -35.446 1.00 57.06 ? 80 ILE B O 1 ? ? +4974 ATOM N N . THR B 2 80 ? -21.519 -14.180 -34.319 1.00 58.65 ? 81 THR B N 1 ? ? +4975 ATOM C CA . THR B 2 80 ? -22.369 -14.277 -35.493 1.00 60.48 ? 81 THR B CA 1 ? ? +4976 ATOM C CB . THR B 2 80 ? -23.750 -14.767 -35.094 1.00 60.55 ? 81 THR B CB 1 ? ? +4977 ATOM O OG1 . THR B 2 80 ? -24.388 -13.750 -34.313 1.00 60.72 ? 81 THR B OG1 1 ? ? +4978 ATOM C CG2 . THR B 2 80 ? -23.692 -16.061 -34.336 1.00 60.25 ? 81 THR B CG2 1 ? ? +4979 ATOM C C . THR B 2 80 ? -22.479 -12.949 -36.241 1.00 62.86 ? 81 THR B C 1 ? ? +4980 ATOM O O . THR B 2 80 ? -23.132 -12.885 -37.280 1.00 64.48 ? 81 THR B O 1 ? ? +4981 ATOM N N . GLY B 2 81 ? -21.877 -11.886 -35.690 1.00 64.34 ? 82 GLY B N 1 ? ? +4982 ATOM C CA . GLY B 2 81 ? -21.835 -10.594 -36.353 1.00 65.55 ? 82 GLY B CA 1 ? ? +4983 ATOM C C . GLY B 2 81 ? -22.787 -9.537 -35.794 1.00 67.65 ? 82 GLY B C 1 ? ? +4984 ATOM O O . GLY B 2 81 ? -22.750 -8.391 -36.232 1.00 67.90 ? 82 GLY B O 1 ? ? +4985 ATOM N N . GLU B 2 82 ? -23.626 -9.907 -34.822 1.00 70.29 ? 83 GLU B N 1 ? ? +4986 ATOM C CA . GLU B 2 82 ? -24.570 -8.957 -34.253 1.00 73.21 ? 83 GLU B CA 1 ? ? +4987 ATOM C CB . GLU B 2 82 ? -25.664 -9.689 -33.489 1.00 75.52 ? 83 GLU B CB 1 ? ? +4988 ATOM C CG . GLU B 2 82 ? -26.351 -10.758 -34.306 1.00 78.23 ? 83 GLU B CG 1 ? ? +4989 ATOM C CD . GLU B 2 82 ? -27.129 -11.731 -33.446 1.00 82.12 ? 83 GLU B CD 1 ? ? +4990 ATOM O OE1 . GLU B 2 82 ? -26.478 -12.378 -32.592 1.00 81.58 ? 83 GLU B OE1 1 ? ? +4991 ATOM O OE2 . GLU B 2 82 ? -28.374 -11.831 -33.600 1.00 86.80 ? 83 GLU B OE2 1 ? ? +4992 ATOM C C . GLU B 2 82 ? -23.843 -7.988 -33.321 1.00 73.67 ? 83 GLU B C 1 ? ? +4993 ATOM O O . GLU B 2 82 ? -22.813 -8.337 -32.747 1.00 74.68 ? 83 GLU B O 1 ? ? +4994 ATOM N N . THR B 2 83 ? -24.381 -6.768 -33.198 1.00 73.85 ? 84 THR B N 1 ? ? +4995 ATOM C CA . THR B 2 83 ? -23.898 -5.777 -32.248 1.00 73.29 ? 84 THR B CA 1 ? ? +4996 ATOM C CB . THR B 2 83 ? -23.253 -4.573 -32.952 1.00 73.55 ? 84 THR B CB 1 ? ? +4997 ATOM O OG1 . THR B 2 83 ? -24.114 -4.144 -33.997 1.00 75.85 ? 84 THR B OG1 1 ? ? +4998 ATOM C CG2 . THR B 2 83 ? -21.906 -4.879 -33.528 1.00 72.79 ? 84 THR B CG2 1 ? ? +4999 ATOM C C . THR B 2 83 ? -25.038 -5.316 -31.344 1.00 72.51 ? 84 THR B C 1 ? ? +5000 ATOM O O . THR B 2 83 ? -26.206 -5.421 -31.709 1.00 73.11 ? 84 THR B O 1 ? ? +5001 ATOM N N . GLY B 2 84 ? -24.664 -4.805 -30.164 1.00 71.86 ? 85 GLY B N 1 ? ? +5002 ATOM C CA . GLY B 2 84 ? -25.603 -4.289 -29.184 1.00 72.36 ? 85 GLY B CA 1 ? ? +5003 ATOM C C . GLY B 2 84 ? -26.436 -5.367 -28.495 1.00 72.63 ? 85 GLY B C 1 ? ? +5004 ATOM O O . GLY B 2 84 ? -27.544 -5.093 -28.022 1.00 72.15 ? 85 GLY B O 1 ? ? +5005 ATOM N N . ILE B 2 85 ? -25.889 -6.590 -28.429 1.00 71.15 ? 86 ILE B N 1 ? ? +5006 ATOM C CA . ILE B 2 85 ? -26.524 -7.666 -27.677 1.00 69.84 ? 86 ILE B CA 1 ? ? +5007 ATOM C CB . ILE B 2 85 ? -26.248 -9.096 -28.245 1.00 69.27 ? 86 ILE B CB 1 ? ? +5008 ATOM C CG1 . ILE B 2 85 ? -24.762 -9.581 -28.069 1.00 68.57 ? 86 ILE B CG1 1 ? ? +5009 ATOM C CG2 . ILE B 2 85 ? -26.689 -9.188 -29.692 1.00 69.68 ? 86 ILE B CG2 1 ? ? +5010 ATOM C CD1 . ILE B 2 85 ? -23.766 -8.915 -28.846 1.00 67.89 ? 86 ILE B CD1 1 ? ? +5011 ATOM C C . ILE B 2 85 ? -26.085 -7.569 -26.219 1.00 67.95 ? 86 ILE B C 1 ? ? +5012 ATOM O O . ILE B 2 85 ? -25.043 -6.973 -25.923 1.00 68.33 ? 86 ILE B O 1 ? ? +5013 ATOM N N . ASP B 2 86 ? -26.896 -8.163 -25.327 1.00 65.97 ? 87 ASP B N 1 ? ? +5014 ATOM C CA . ASP B 2 86 ? -26.501 -8.378 -23.945 1.00 64.19 ? 87 ASP B CA 1 ? ? +5015 ATOM C CB . ASP B 2 86 ? -27.417 -7.673 -22.953 1.00 65.69 ? 87 ASP B CB 1 ? ? +5016 ATOM C CG . ASP B 2 86 ? -26.844 -7.631 -21.544 1.00 67.08 ? 87 ASP B CG 1 ? ? +5017 ATOM O OD1 . ASP B 2 86 ? -25.676 -8.053 -21.353 1.00 68.74 ? 87 ASP B OD1 1 ? ? +5018 ATOM O OD2 . ASP B 2 86 ? -27.548 -7.167 -20.630 1.00 68.63 ? 87 ASP B OD2 1 ? ? +5019 ATOM C C . ASP B 2 86 ? -26.465 -9.875 -23.649 1.00 61.63 ? 87 ASP B C 1 ? ? +5020 ATOM O O . ASP B 2 86 ? -27.510 -10.513 -23.559 1.00 61.30 ? 87 ASP B O 1 ? ? +5021 ATOM N N . PRO B 2 87 ? -25.256 -10.473 -23.490 1.00 58.69 ? 88 PRO B N 1 ? ? +5022 ATOM C CA . PRO B 2 87 ? -25.126 -11.907 -23.235 1.00 57.28 ? 88 PRO B CA 1 ? ? +5023 ATOM C CB . PRO B 2 87 ? -23.643 -12.169 -23.608 1.00 56.91 ? 88 PRO B CB 1 ? ? +5024 ATOM C CG . PRO B 2 87 ? -22.941 -10.906 -23.283 1.00 56.75 ? 88 PRO B CG 1 ? ? +5025 ATOM C CD . PRO B 2 87 ? -23.947 -9.796 -23.582 1.00 57.63 ? 88 PRO B CD 1 ? ? +5026 ATOM C C . PRO B 2 87 ? -25.397 -12.340 -21.795 1.00 56.08 ? 88 PRO B C 1 ? ? +5027 ATOM O O . PRO B 2 87 ? -25.370 -13.534 -21.504 1.00 55.60 ? 88 PRO B O 1 ? ? +5028 ATOM N N . GLY B 2 88 ? -25.633 -11.369 -20.901 1.00 55.39 ? 89 GLY B N 1 ? ? +5029 ATOM C CA . GLY B 2 88 ? -25.656 -11.633 -19.474 1.00 55.08 ? 89 GLY B CA 1 ? ? +5030 ATOM C C . GLY B 2 88 ? -24.263 -11.923 -18.907 1.00 54.13 ? 89 GLY B C 1 ? ? +5031 ATOM O O . GLY B 2 88 ? -23.242 -11.498 -19.457 1.00 53.22 ? 89 GLY B O 1 ? ? +5032 ATOM N N . PHE B 2 89 ? -24.241 -12.660 -17.794 1.00 53.86 ? 90 PHE B N 1 ? ? +5033 ATOM C CA . PHE B 2 89 ? -23.007 -12.981 -17.110 1.00 53.11 ? 90 PHE B CA 1 ? ? +5034 ATOM C CB . PHE B 2 89 ? -23.278 -13.584 -15.701 1.00 53.47 ? 90 PHE B CB 1 ? ? +5035 ATOM C CG . PHE B 2 89 ? -21.961 -13.910 -15.037 1.00 53.29 ? 90 PHE B CG 1 ? ? +5036 ATOM C CD1 . PHE B 2 89 ? -21.083 -12.899 -14.655 1.00 52.92 ? 90 PHE B CD1 1 ? ? +5037 ATOM C CD2 . PHE B 2 89 ? -21.535 -15.216 -14.914 1.00 53.32 ? 90 PHE B CD2 1 ? ? +5038 ATOM C CE1 . PHE B 2 89 ? -19.848 -13.202 -14.098 1.00 52.46 ? 90 PHE B CE1 1 ? ? +5039 ATOM C CE2 . PHE B 2 89 ? -20.284 -15.509 -14.366 1.00 52.82 ? 90 PHE B CE2 1 ? ? +5040 ATOM C CZ . PHE B 2 89 ? -19.467 -14.504 -13.944 1.00 52.35 ? 90 PHE B CZ 1 ? ? +5041 ATOM C C . PHE B 2 89 ? -22.143 -13.911 -17.968 1.00 52.29 ? 90 PHE B C 1 ? ? +5042 ATOM O O . PHE B 2 89 ? -20.917 -13.716 -18.075 1.00 51.45 ? 90 PHE B O 1 ? ? +5043 ATOM N N . TRP B 2 90 ? -22.793 -14.908 -18.592 1.00 52.04 ? 91 TRP B N 1 ? ? +5044 ATOM C CA . TRP B 2 90 ? -22.077 -15.942 -19.321 1.00 51.39 ? 91 TRP B CA 1 ? ? +5045 ATOM C CB . TRP B 2 90 ? -22.865 -17.232 -19.342 1.00 51.73 ? 91 TRP B CB 1 ? ? +5046 ATOM C CG . TRP B 2 90 ? -23.130 -17.790 -17.977 1.00 51.97 ? 91 TRP B CG 1 ? ? +5047 ATOM C CD1 . TRP B 2 90 ? -24.351 -17.997 -17.402 1.00 52.72 ? 91 TRP B CD1 1 ? ? +5048 ATOM N NE1 . TRP B 2 90 ? -24.195 -18.536 -16.148 1.00 52.82 ? 91 TRP B NE1 1 ? ? +5049 ATOM C CE2 . TRP B 2 90 ? -22.862 -18.713 -15.901 1.00 52.08 ? 91 TRP B CE2 1 ? ? +5050 ATOM C CZ2 . TRP B 2 90 ? -22.217 -19.228 -14.779 1.00 51.98 ? 91 TRP B CZ2 1 ? ? +5051 ATOM C CH2 . TRP B 2 90 ? -20.844 -19.276 -14.808 1.00 51.34 ? 91 TRP B CH2 1 ? ? +5052 ATOM C CZ3 . TRP B 2 90 ? -20.125 -18.831 -15.916 1.00 50.81 ? 91 TRP B CZ3 1 ? ? +5053 ATOM C CE3 . TRP B 2 90 ? -20.768 -18.326 -17.035 1.00 50.93 ? 91 TRP B CE3 1 ? ? +5054 ATOM C CD2 . TRP B 2 90 ? -22.162 -18.256 -17.036 1.00 51.54 ? 91 TRP B CD2 1 ? ? +5055 ATOM C C . TRP B 2 90 ? -21.684 -15.501 -20.729 1.00 50.94 ? 91 TRP B C 1 ? ? +5056 ATOM O O . TRP B 2 90 ? -22.115 -16.085 -21.721 1.00 50.99 ? 91 TRP B O 1 ? ? +5057 ATOM N N . SER B 2 91 ? -20.846 -14.459 -20.765 1.00 50.45 ? 92 SER B N 1 ? ? +5058 ATOM C CA . SER B 2 91 ? -20.056 -14.078 -21.920 1.00 49.99 ? 92 SER B CA 1 ? ? +5059 ATOM C CB . SER B 2 91 ? -19.772 -12.585 -21.873 1.00 49.81 ? 92 SER B CB 1 ? ? +5060 ATOM O OG . SER B 2 91 ? -18.868 -12.313 -20.808 1.00 49.51 ? 92 SER B OG 1 ? ? +5061 ATOM C C . SER B 2 91 ? -18.718 -14.814 -21.902 1.00 49.42 ? 92 SER B C 1 ? ? +5062 ATOM O O . SER B 2 91 ? -18.356 -15.431 -20.904 1.00 49.14 ? 92 SER B O 1 ? ? +5063 ATOM N N . PHE B 2 92 ? -17.960 -14.686 -22.995 1.00 49.21 ? 93 PHE B N 1 ? ? +5064 ATOM C CA . PHE B 2 92 ? -16.595 -15.192 -23.056 1.00 48.74 ? 93 PHE B CA 1 ? ? +5065 ATOM C CB . PHE B 2 92 ? -15.897 -14.708 -24.345 1.00 48.69 ? 93 PHE B CB 1 ? ? +5066 ATOM C CG . PHE B 2 92 ? -16.541 -15.261 -25.602 1.00 49.11 ? 93 PHE B CG 1 ? ? +5067 ATOM C CD1 . PHE B 2 92 ? -16.617 -16.630 -25.815 1.00 49.29 ? 93 PHE B CD1 1 ? ? +5068 ATOM C CD2 . PHE B 2 92 ? -17.065 -14.415 -26.567 1.00 49.46 ? 93 PHE B CD2 1 ? ? +5069 ATOM C CE1 . PHE B 2 92 ? -17.195 -17.150 -26.973 1.00 49.59 ? 93 PHE B CE1 1 ? ? +5070 ATOM C CE2 . PHE B 2 92 ? -17.661 -14.938 -27.724 1.00 49.78 ? 93 PHE B CE2 1 ? ? +5071 ATOM C CZ . PHE B 2 92 ? -17.721 -16.307 -27.916 1.00 49.79 ? 93 PHE B CZ 1 ? ? +5072 ATOM C C . PHE B 2 92 ? -15.824 -14.776 -21.806 1.00 48.29 ? 93 PHE B C 1 ? ? +5073 ATOM O O . PHE B 2 92 ? -15.211 -15.603 -21.150 1.00 48.01 ? 93 PHE B O 1 ? ? +5074 ATOM N N . GLU B 2 93 ? -15.932 -13.496 -21.444 1.00 48.29 ? 94 GLU B N 1 ? ? +5075 ATOM C CA . GLU B 2 93 ? -15.290 -12.960 -20.254 1.00 47.99 ? 94 GLU B CA 1 ? ? +5076 ATOM C CB . GLU B 2 93 ? -15.504 -11.456 -20.162 1.00 48.22 ? 94 GLU B CB 1 ? ? +5077 ATOM C CG . GLU B 2 93 ? -15.020 -10.679 -21.369 1.00 48.11 ? 94 GLU B CG 1 ? ? +5078 ATOM C CD . GLU B 2 93 ? -16.025 -10.495 -22.486 1.00 48.72 ? 94 GLU B CD 1 ? ? +5079 ATOM O OE1 . GLU B 2 93 ? -17.207 -10.889 -22.330 1.00 49.31 ? 94 GLU B OE1 1 ? ? +5080 ATOM O OE2 . GLU B 2 93 ? -15.624 -9.959 -23.540 1.00 48.81 ? 94 GLU B OE2 1 ? ? +5081 ATOM C C . GLU B 2 93 ? -15.805 -13.592 -18.964 1.00 48.15 ? 94 GLU B C 1 ? ? +5082 ATOM O O . GLU B 2 93 ? -15.030 -13.946 -18.092 1.00 47.76 ? 94 GLU B O 1 ? ? +5083 ATOM N N . GLY B 2 94 ? -17.133 -13.726 -18.838 1.00 48.68 ? 95 GLY B N 1 ? ? +5084 ATOM C CA . GLY B 2 94 ? -17.712 -14.330 -17.653 1.00 48.88 ? 95 GLY B CA 1 ? ? +5085 ATOM C C . GLY B 2 94 ? -17.226 -15.759 -17.445 1.00 48.69 ? 95 GLY B C 1 ? ? +5086 ATOM O O . GLY B 2 94 ? -16.849 -16.126 -16.341 1.00 48.69 ? 95 GLY B O 1 ? ? +5087 ATOM N N . VAL B 2 95 ? -17.241 -16.545 -18.525 1.00 48.61 ? 96 VAL B N 1 ? ? +5088 ATOM C CA . VAL B 2 95 ? -16.689 -17.888 -18.522 1.00 48.51 ? 96 VAL B CA 1 ? ? +5089 ATOM C CB . VAL B 2 95 ? -16.902 -18.553 -19.900 1.00 48.53 ? 96 VAL B CB 1 ? ? +5090 ATOM C CG1 . VAL B 2 95 ? -16.141 -19.878 -20.005 1.00 48.34 ? 96 VAL B CG1 1 ? ? +5091 ATOM C CG2 . VAL B 2 95 ? -18.408 -18.756 -20.182 1.00 49.15 ? 96 VAL B CG2 1 ? ? +5092 ATOM C C . VAL B 2 95 ? -15.212 -17.915 -18.116 1.00 48.01 ? 96 VAL B C 1 ? ? +5093 ATOM O O . VAL B 2 95 ? -14.811 -18.751 -17.317 1.00 47.72 ? 96 VAL B O 1 ? ? +5094 ATOM N N . ALA B 2 96 ? -14.403 -17.003 -18.657 1.00 47.86 ? 97 ALA B N 1 ? ? +5095 ATOM C CA . ALA B 2 96 ? -12.980 -16.970 -18.327 1.00 47.74 ? 97 ALA B CA 1 ? ? +5096 ATOM C CB . ALA B 2 96 ? -12.237 -15.949 -19.173 1.00 47.27 ? 97 ALA B CB 1 ? ? +5097 ATOM C C . ALA B 2 96 ? -12.796 -16.677 -16.841 1.00 48.17 ? 97 ALA B C 1 ? ? +5098 ATOM O O . ALA B 2 96 ? -12.085 -17.403 -16.153 1.00 48.00 ? 97 ALA B O 1 ? ? +5099 ATOM N N . LEU B 2 97 ? -13.495 -15.645 -16.353 1.00 48.93 ? 98 LEU B N 1 ? ? +5100 ATOM C CA . LEU B 2 97 ? -13.455 -15.274 -14.950 1.00 49.49 ? 98 LEU B CA 1 ? ? +5101 ATOM C CB . LEU B 2 97 ? -14.345 -14.052 -14.714 1.00 50.41 ? 98 LEU B CB 1 ? ? +5102 ATOM C CG . LEU B 2 97 ? -14.509 -13.571 -13.251 1.00 51.21 ? 98 LEU B CG 1 ? ? +5103 ATOM C CD1 . LEU B 2 97 ? -13.229 -12.893 -12.737 1.00 51.15 ? 98 LEU B CD1 1 ? ? +5104 ATOM C CD2 . LEU B 2 97 ? -15.741 -12.630 -13.111 1.00 51.69 ? 98 LEU B CD2 1 ? ? +5105 ATOM C C . LEU B 2 97 ? -13.883 -16.417 -14.033 1.00 49.62 ? 98 LEU B C 1 ? ? +5106 ATOM O O . LEU B 2 97 ? -13.256 -16.641 -13.001 1.00 49.91 ? 98 LEU B O 1 ? ? +5107 ATOM N N . ALA B 2 98 ? -14.940 -17.148 -14.399 1.00 49.57 ? 99 ALA B N 1 ? ? +5108 ATOM C CA . ALA B 2 98 ? -15.420 -18.229 -13.551 1.00 49.72 ? 99 ALA B CA 1 ? ? +5109 ATOM C CB . ALA B 2 98 ? -16.738 -18.831 -14.069 1.00 50.11 ? 99 ALA B CB 1 ? ? +5110 ATOM C C . ALA B 2 98 ? -14.353 -19.317 -13.424 1.00 49.12 ? 99 ALA B C 1 ? ? +5111 ATOM O O . ALA B 2 98 ? -14.195 -19.915 -12.363 1.00 49.25 ? 99 ALA B O 1 ? ? +5112 ATOM N N . HIS B 2 99 ? -13.638 -19.583 -14.515 1.00 48.52 ? 100 HIS B N 1 ? ? +5113 ATOM C CA . HIS B 2 99 ? -12.574 -20.581 -14.490 1.00 48.23 ? 100 HIS B CA 1 ? ? +5114 ATOM C CB . HIS B 2 99 ? -12.070 -20.930 -15.906 1.00 47.75 ? 100 HIS B CB 1 ? ? +5115 ATOM C CG . HIS B 2 99 ? -13.015 -21.839 -16.635 1.00 48.09 ? 100 HIS B CG 1 ? ? +5116 ATOM N ND1 . HIS B 2 99 ? -14.230 -21.374 -17.178 1.00 48.38 ? 100 HIS B ND1 1 ? ? +5117 ATOM C CE1 . HIS B 2 99 ? -14.819 -22.435 -17.697 1.00 48.62 ? 100 HIS B CE1 1 ? ? +5118 ATOM N NE2 . HIS B 2 99 ? -14.074 -23.536 -17.513 1.00 48.44 ? 100 HIS B NE2 1 ? ? +5119 ATOM C CD2 . HIS B 2 99 ? -12.942 -23.168 -16.835 1.00 48.08 ? 100 HIS B CD2 1 ? ? +5120 ATOM C C . HIS B 2 99 ? -11.439 -20.145 -13.569 1.00 47.87 ? 100 HIS B C 1 ? ? +5121 ATOM O O . HIS B 2 99 ? -10.925 -20.966 -12.827 1.00 47.86 ? 100 HIS B O 1 ? ? +5122 ATOM N N . ILE B 2 100 ? -11.124 -18.849 -13.571 1.00 47.82 ? 101 ILE B N 1 ? ? +5123 ATOM C CA . ILE B 2 100 ? -10.067 -18.308 -12.734 1.00 47.76 ? 101 ILE B CA 1 ? ? +5124 ATOM C CB . ILE B 2 100 ? -9.714 -16.860 -13.135 1.00 47.65 ? 101 ILE B CB 1 ? ? +5125 ATOM C CG1 . ILE B 2 100 ? -9.182 -16.785 -14.574 1.00 47.35 ? 101 ILE B CG1 1 ? ? +5126 ATOM C CG2 . ILE B 2 100 ? -8.724 -16.213 -12.148 1.00 47.53 ? 101 ILE B CG2 1 ? ? +5127 ATOM C CD1 . ILE B 2 100 ? -7.890 -17.400 -14.756 1.00 47.15 ? 101 ILE B CD1 1 ? ? +5128 ATOM C C . ILE B 2 100 ? -10.453 -18.382 -11.262 1.00 48.16 ? 101 ILE B C 1 ? ? +5129 ATOM O O . ILE B 2 100 ? -9.635 -18.737 -10.420 1.00 48.35 ? 101 ILE B O 1 ? ? +5130 ATOM N N . VAL B 2 101 ? -11.699 -18.032 -10.940 1.00 48.55 ? 102 VAL B N 1 ? ? +5131 ATOM C CA . VAL B 2 101 ? -12.132 -18.066 -9.557 1.00 48.76 ? 102 VAL B CA 1 ? ? +5132 ATOM C CB . VAL B 2 101 ? -13.468 -17.331 -9.358 1.00 49.22 ? 102 VAL B CB 1 ? ? +5133 ATOM C CG1 . VAL B 2 101 ? -13.960 -17.462 -7.923 1.00 49.70 ? 102 VAL B CG1 1 ? ? +5134 ATOM C CG2 . VAL B 2 101 ? -13.330 -15.853 -9.746 1.00 48.97 ? 102 VAL B CG2 1 ? ? +5135 ATOM C C . VAL B 2 101 ? -12.126 -19.526 -9.107 1.00 48.82 ? 102 VAL B C 1 ? ? +5136 ATOM O O . VAL B 2 101 ? -11.579 -19.850 -8.054 1.00 48.84 ? 102 VAL B O 1 ? ? +5137 ATOM N N . LEU B 2 102 ? -12.683 -20.423 -9.930 1.00 48.73 ? 103 LEU B N 1 ? ? +5138 ATOM C CA . LEU B 2 102 ? -12.661 -21.839 -9.599 1.00 48.74 ? 103 LEU B CA 1 ? ? +5139 ATOM C CB . LEU B 2 102 ? -13.304 -22.642 -10.714 1.00 48.86 ? 103 LEU B CB 1 ? ? +5140 ATOM C CG . LEU B 2 102 ? -13.250 -24.166 -10.571 1.00 49.06 ? 103 LEU B CG 1 ? ? +5141 ATOM C CD1 . LEU B 2 102 ? -13.922 -24.679 -9.279 1.00 49.65 ? 103 LEU B CD1 1 ? ? +5142 ATOM C CD2 . LEU B 2 102 ? -13.912 -24.811 -11.734 1.00 49.18 ? 103 LEU B CD2 1 ? ? +5143 ATOM C C . LEU B 2 102 ? -11.238 -22.342 -9.330 1.00 48.12 ? 103 LEU B C 1 ? ? +5144 ATOM O O . LEU B 2 102 ? -10.996 -23.066 -8.365 1.00 48.21 ? 103 LEU B O 1 ? ? +5145 ATOM N N . SER B 2 103 ? -10.296 -21.949 -10.186 1.00 47.46 ? 104 SER B N 1 ? ? +5146 ATOM C CA . SER B 2 103 ? -8.899 -22.311 -10.002 1.00 46.98 ? 104 SER B CA 1 ? ? +5147 ATOM C CB . SER B 2 103 ? -8.017 -21.632 -11.037 1.00 46.52 ? 104 SER B CB 1 ? ? +5148 ATOM O OG . SER B 2 103 ? -6.652 -21.846 -10.705 1.00 46.41 ? 104 SER B OG 1 ? ? +5149 ATOM C C . SER B 2 103 ? -8.409 -21.960 -8.600 1.00 46.93 ? 104 SER B C 1 ? ? +5150 ATOM O O . SER B 2 103 ? -7.827 -22.797 -7.917 1.00 46.99 ? 104 SER B O 1 ? ? +5151 ATOM N N . GLY B 2 104 ? -8.677 -20.724 -8.170 1.00 46.87 ? 105 GLY B N 1 ? ? +5152 ATOM C CA . GLY B 2 104 ? -8.252 -20.258 -6.861 1.00 46.95 ? 105 GLY B CA 1 ? ? +5153 ATOM C C . GLY B 2 104 ? -8.829 -21.045 -5.692 1.00 47.46 ? 105 GLY B C 1 ? ? +5154 ATOM O O . GLY B 2 104 ? -8.107 -21.391 -4.764 1.00 47.49 ? 105 GLY B O 1 ? ? +5155 ATOM N N . LEU B 2 105 ? -10.145 -21.299 -5.745 1.00 47.88 ? 106 LEU B N 1 ? ? +5156 ATOM C CA . LEU B 2 105 ? -10.823 -22.085 -4.736 1.00 48.38 ? 106 LEU B CA 1 ? ? +5157 ATOM C CB . LEU B 2 105 ? -12.337 -22.172 -5.063 1.00 48.85 ? 106 LEU B CB 1 ? ? +5158 ATOM C CG . LEU B 2 105 ? -13.115 -20.876 -4.985 1.00 49.00 ? 106 LEU B CG 1 ? ? +5159 ATOM C CD1 . LEU B 2 105 ? -14.561 -21.099 -5.369 1.00 49.48 ? 106 LEU B CD1 1 ? ? +5160 ATOM C CD2 . LEU B 2 105 ? -13.042 -20.279 -3.614 1.00 49.25 ? 106 LEU B CD2 1 ? ? +5161 ATOM C C . LEU B 2 105 ? -10.237 -23.490 -4.640 1.00 48.35 ? 106 LEU B C 1 ? ? +5162 ATOM O O . LEU B 2 105 ? -10.026 -23.988 -3.540 1.00 48.56 ? 106 LEU B O 1 ? ? +5163 ATOM N N . LEU B 2 106 ? -10.007 -24.134 -5.788 1.00 48.12 ? 107 LEU B N 1 ? ? +5164 ATOM C CA . LEU B 2 106 ? -9.422 -25.466 -5.804 1.00 48.27 ? 107 LEU B CA 1 ? ? +5165 ATOM C CB . LEU B 2 106 ? -9.361 -26.017 -7.225 1.00 47.98 ? 107 LEU B CB 1 ? ? +5166 ATOM C CG . LEU B 2 106 ? -10.697 -26.325 -7.881 1.00 48.26 ? 107 LEU B CG 1 ? ? +5167 ATOM C CD1 . LEU B 2 106 ? -10.500 -26.770 -9.315 1.00 47.96 ? 107 LEU B CD1 1 ? ? +5168 ATOM C CD2 . LEU B 2 106 ? -11.432 -27.378 -7.147 1.00 48.87 ? 107 LEU B CD2 1 ? ? +5169 ATOM C C . LEU B 2 106 ? -8.016 -25.479 -5.199 1.00 48.25 ? 107 LEU B C 1 ? ? +5170 ATOM O O . LEU B 2 106 ? -7.646 -26.429 -4.508 1.00 48.41 ? 107 LEU B O 1 ? ? +5171 ATOM N N . PHE B 2 107 ? -7.252 -24.409 -5.454 1.00 48.04 ? 108 PHE B N 1 ? ? +5172 ATOM C CA . PHE B 2 107 ? -5.933 -24.248 -4.871 1.00 48.09 ? 108 PHE B CA 1 ? ? +5173 ATOM C CB . PHE B 2 107 ? -5.256 -22.976 -5.420 1.00 47.74 ? 108 PHE B CB 1 ? ? +5174 ATOM C CG . PHE B 2 107 ? -4.031 -22.531 -4.663 1.00 47.84 ? 108 PHE B CG 1 ? ? +5175 ATOM C CD1 . PHE B 2 107 ? -4.142 -21.738 -3.533 1.00 48.19 ? 108 PHE B CD1 1 ? ? +5176 ATOM C CD2 . PHE B 2 107 ? -2.762 -22.921 -5.074 1.00 47.70 ? 108 PHE B CD2 1 ? ? +5177 ATOM C CE1 . PHE B 2 107 ? -3.005 -21.342 -2.827 1.00 48.24 ? 108 PHE B CE1 1 ? ? +5178 ATOM C CE2 . PHE B 2 107 ? -1.626 -22.518 -4.373 1.00 47.65 ? 108 PHE B CE2 1 ? ? +5179 ATOM C CZ . PHE B 2 107 ? -1.753 -21.730 -3.251 1.00 47.89 ? 108 PHE B CZ 1 ? ? +5180 ATOM C C . PHE B 2 107 ? -6.029 -24.239 -3.345 1.00 48.58 ? 108 PHE B C 1 ? ? +5181 ATOM O O . PHE B 2 107 ? -5.273 -24.929 -2.665 1.00 48.86 ? 108 PHE B O 1 ? ? +5182 ATOM N N . LEU B 2 108 ? -6.965 -23.457 -2.801 1.00 48.87 ? 109 LEU B N 1 ? ? +5183 ATOM C CA . LEU B 2 108 ? -7.117 -23.371 -1.356 1.00 49.32 ? 109 LEU B CA 1 ? ? +5184 ATOM C CB . LEU B 2 108 ? -8.122 -22.295 -0.974 1.00 49.79 ? 109 LEU B CB 1 ? ? +5185 ATOM C CG . LEU B 2 108 ? -7.665 -20.839 -1.252 1.00 49.67 ? 109 LEU B CG 1 ? ? +5186 ATOM C CD1 . LEU B 2 108 ? -8.754 -19.841 -0.912 1.00 50.09 ? 109 LEU B CD1 1 ? ? +5187 ATOM C CD2 . LEU B 2 108 ? -6.403 -20.491 -0.492 1.00 49.52 ? 109 LEU B CD2 1 ? ? +5188 ATOM C C . LEU B 2 108 ? -7.522 -24.711 -0.753 1.00 49.65 ? 109 LEU B C 1 ? ? +5189 ATOM O O . LEU B 2 108 ? -7.053 -25.073 0.327 1.00 49.86 ? 109 LEU B O 1 ? ? +5190 ATOM N N . ALA B 2 109 ? -8.369 -25.454 -1.475 1.00 49.68 ? 110 ALA B N 1 ? ? +5191 ATOM C CA . ALA B 2 109 ? -8.806 -26.768 -1.034 1.00 49.99 ? 110 ALA B CA 1 ? ? +5192 ATOM C CB . ALA B 2 109 ? -9.950 -27.278 -1.903 1.00 50.17 ? 110 ALA B CB 1 ? ? +5193 ATOM C C . ALA B 2 109 ? -7.651 -27.759 -1.047 1.00 49.64 ? 110 ALA B C 1 ? ? +5194 ATOM O O . ALA B 2 109 ? -7.569 -28.614 -0.175 1.00 49.87 ? 110 ALA B O 1 ? ? +5195 ATOM N N . ALA B 2 110 ? -6.775 -27.638 -2.050 1.00 49.17 ? 111 ALA B N 1 ? ? +5196 ATOM C CA . ALA B 2 110 ? -5.560 -28.445 -2.113 1.00 49.07 ? 111 ALA B CA 1 ? ? +5197 ATOM C CB . ALA B 2 110 ? -4.727 -28.101 -3.329 1.00 48.45 ? 111 ALA B CB 1 ? ? +5198 ATOM C C . ALA B 2 110 ? -4.718 -28.289 -0.854 1.00 49.26 ? 111 ALA B C 1 ? ? +5199 ATOM O O . ALA B 2 110 ? -4.249 -29.277 -0.303 1.00 49.37 ? 111 ALA B O 1 ? ? +5200 ATOM N N . CYS B 2 111 ? -4.574 -27.043 -0.395 1.00 49.44 ? 112 CYS B N 1 ? ? +5201 ATOM C CA . CYS B 2 111 ? -3.782 -26.745 0.787 1.00 49.90 ? 112 CYS B CA 1 ? ? +5202 ATOM C CB . CYS B 2 111 ? -3.694 -25.234 1.012 1.00 50.24 ? 112 CYS B CB 1 ? ? +5203 ATOM S SG . CYS B 2 111 ? -2.704 -24.333 -0.219 1.00 50.72 ? 112 CYS B SG 1 ? ? +5204 ATOM C C . CYS B 2 111 ? -4.345 -27.451 2.018 1.00 50.19 ? 112 CYS B C 1 ? ? +5205 ATOM O O . CYS B 2 111 ? -3.615 -28.080 2.783 1.00 50.37 ? 112 CYS B O 1 ? ? +5206 ATOM N N . TRP B 2 112 ? -5.658 -27.330 2.209 1.00 50.25 ? 113 TRP B N 1 ? ? +5207 ATOM C CA . TRP B 2 112 ? -6.303 -27.926 3.360 1.00 50.68 ? 113 TRP B CA 1 ? ? +5208 ATOM C CB . TRP B 2 112 ? -7.808 -27.576 3.378 1.00 50.93 ? 113 TRP B CB 1 ? ? +5209 ATOM C CG . TRP B 2 112 ? -8.461 -27.955 4.660 1.00 51.45 ? 113 TRP B CG 1 ? ? +5210 ATOM C CD1 . TRP B 2 112 ? -8.635 -27.168 5.756 1.00 51.70 ? 113 TRP B CD1 1 ? ? +5211 ATOM N NE1 . TRP B 2 112 ? -9.258 -27.873 6.747 1.00 52.34 ? 113 TRP B NE1 1 ? ? +5212 ATOM C CE2 . TRP B 2 112 ? -9.512 -29.140 6.300 1.00 52.48 ? 113 TRP B CE2 1 ? ? +5213 ATOM C CZ2 . TRP B 2 112 ? -10.137 -30.214 6.935 1.00 53.12 ? 113 TRP B CZ2 1 ? ? +5214 ATOM C CH2 . TRP B 2 112 ? -10.248 -31.380 6.232 1.00 53.17 ? 113 TRP B CH2 1 ? ? +5215 ATOM C CZ3 . TRP B 2 112 ? -9.766 -31.493 4.927 1.00 52.60 ? 113 TRP B CZ3 1 ? ? +5216 ATOM C CE3 . TRP B 2 112 ? -9.140 -30.428 4.294 1.00 51.96 ? 113 TRP B CE3 1 ? ? +5217 ATOM C CD2 . TRP B 2 112 ? -9.008 -29.225 4.987 1.00 51.91 ? 113 TRP B CD2 1 ? ? +5218 ATOM C C . TRP B 2 112 ? -6.081 -29.436 3.367 1.00 50.86 ? 113 TRP B C 1 ? ? +5219 ATOM O O . TRP B 2 112 ? -5.716 -30.022 4.391 1.00 51.25 ? 113 TRP B O 1 ? ? +5220 ATOM N N . HIS B 2 113 ? -6.304 -30.059 2.208 1.00 50.57 ? 114 HIS B N 1 ? ? +5221 ATOM C CA . HIS B 2 113 ? -6.178 -31.500 2.096 1.00 50.74 ? 114 HIS B CA 1 ? ? +5222 ATOM C CB . HIS B 2 113 ? -6.832 -31.987 0.804 1.00 50.46 ? 114 HIS B CB 1 ? ? +5223 ATOM C CG . HIS B 2 113 ? -8.276 -32.315 1.005 1.00 50.94 ? 114 HIS B CG 1 ? ? +5224 ATOM N ND1 . HIS B 2 113 ? -8.652 -33.404 1.736 1.00 51.54 ? 114 HIS B ND1 1 ? ? +5225 ATOM C CE1 . HIS B 2 113 ? -9.969 -33.411 1.728 1.00 51.81 ? 114 HIS B CE1 1 ? ? +5226 ATOM N NE2 . HIS B 2 113 ? -10.437 -32.379 1.048 1.00 51.51 ? 114 HIS B NE2 1 ? ? +5227 ATOM C CD2 . HIS B 2 113 ? -9.384 -31.676 0.585 1.00 50.92 ? 114 HIS B CD2 1 ? ? +5228 ATOM C C . HIS B 2 113 ? -4.728 -31.962 2.212 1.00 50.60 ? 114 HIS B C 1 ? ? +5229 ATOM O O . HIS B 2 113 ? -4.468 -33.073 2.645 1.00 50.92 ? 114 HIS B O 1 ? ? +5230 ATOM N N . TRP B 2 114 ? -3.779 -31.106 1.853 1.00 50.24 ? 115 TRP B N 1 ? ? +5231 ATOM C CA . TRP B 2 114 ? -2.382 -31.448 2.052 1.00 50.32 ? 115 TRP B CA 1 ? ? +5232 ATOM C CB . TRP B 2 114 ? -1.499 -30.469 1.305 1.00 49.90 ? 115 TRP B CB 1 ? ? +5233 ATOM C CG . TRP B 2 114 ? -0.068 -30.818 1.372 1.00 49.98 ? 115 TRP B CG 1 ? ? +5234 ATOM C CD1 . TRP B 2 114 ? 0.856 -30.272 2.199 1.00 50.13 ? 115 TRP B CD1 1 ? ? +5235 ATOM N NE1 . TRP B 2 114 ? 2.095 -30.815 1.947 1.00 50.05 ? 115 TRP B NE1 1 ? ? +5236 ATOM C CE2 . TRP B 2 114 ? 1.982 -31.742 0.947 1.00 49.90 ? 115 TRP B CE2 1 ? ? +5237 ATOM C CZ2 . TRP B 2 114 ? 2.946 -32.559 0.362 1.00 49.67 ? 115 TRP B CZ2 1 ? ? +5238 ATOM C CH2 . TRP B 2 114 ? 2.542 -33.399 -0.631 1.00 49.59 ? 115 TRP B CH2 1 ? ? +5239 ATOM C CZ3 . TRP B 2 114 ? 1.209 -33.459 -1.042 1.00 49.77 ? 115 TRP B CZ3 1 ? ? +5240 ATOM C CE3 . TRP B 2 114 ? 0.240 -32.642 -0.467 1.00 49.97 ? 115 TRP B CE3 1 ? ? +5241 ATOM C CD2 . TRP B 2 114 ? 0.626 -31.768 0.558 1.00 49.96 ? 115 TRP B CD2 1 ? ? +5242 ATOM C C . TRP B 2 114 ? -2.000 -31.475 3.531 1.00 50.73 ? 115 TRP B C 1 ? ? +5243 ATOM O O . TRP B 2 114 ? -1.328 -32.398 3.990 1.00 50.92 ? 115 TRP B O 1 ? ? +5244 ATOM N N . VAL B 2 115 ? -2.431 -30.448 4.272 1.00 50.87 ? 116 VAL B N 1 ? ? +5245 ATOM C CA . VAL B 2 115 ? -2.103 -30.330 5.681 1.00 51.28 ? 116 VAL B CA 1 ? ? +5246 ATOM C CB . VAL B 2 115 ? -2.354 -28.904 6.180 1.00 51.16 ? 116 VAL B CB 1 ? ? +5247 ATOM C CG1 . VAL B 2 115 ? -2.247 -28.818 7.698 1.00 51.68 ? 116 VAL B CG1 1 ? ? +5248 ATOM C CG2 . VAL B 2 115 ? -1.393 -27.921 5.502 1.00 50.57 ? 116 VAL B CG2 1 ? ? +5249 ATOM C C . VAL B 2 115 ? -2.849 -31.360 6.520 1.00 52.22 ? 116 VAL B C 1 ? ? +5250 ATOM O O . VAL B 2 115 ? -2.229 -32.023 7.345 1.00 52.66 ? 116 VAL B O 1 ? ? +5251 ATOM N N . TYR B 2 116 ? -4.171 -31.489 6.307 1.00 52.69 ? 117 TYR B N 1 ? ? +5252 ATOM C CA . TYR B 2 116 ? -4.995 -32.401 7.081 1.00 53.46 ? 117 TYR B CA 1 ? ? +5253 ATOM C CB . TYR B 2 116 ? -6.316 -31.739 7.405 1.00 54.04 ? 117 TYR B CB 1 ? ? +5254 ATOM C CG . TYR B 2 116 ? -6.146 -30.510 8.249 1.00 54.26 ? 117 TYR B CG 1 ? ? +5255 ATOM C CD1 . TYR B 2 116 ? -5.859 -30.610 9.601 1.00 54.93 ? 117 TYR B CD1 1 ? ? +5256 ATOM C CD2 . TYR B 2 116 ? -6.248 -29.245 7.693 1.00 53.99 ? 117 TYR B CD2 1 ? ? +5257 ATOM C CE1 . TYR B 2 116 ? -5.699 -29.479 10.386 1.00 55.18 ? 117 TYR B CE1 1 ? ? +5258 ATOM C CE2 . TYR B 2 116 ? -6.079 -28.106 8.463 1.00 54.21 ? 117 TYR B CE2 1 ? ? +5259 ATOM C CZ . TYR B 2 116 ? -5.798 -28.229 9.809 1.00 54.90 ? 117 TYR B CZ 1 ? ? +5260 ATOM O OH . TYR B 2 116 ? -5.634 -27.107 10.572 1.00 55.61 ? 117 TYR B OH 1 ? ? +5261 ATOM C C . TYR B 2 116 ? -5.211 -33.706 6.321 1.00 53.58 ? 117 TYR B C 1 ? ? +5262 ATOM O O . TYR B 2 116 ? -6.348 -34.098 6.021 1.00 54.07 ? 117 TYR B O 1 ? ? +5263 ATOM N N . TRP B 2 117 ? -4.088 -34.376 6.044 1.00 53.24 ? 118 TRP B N 1 ? ? +5264 ATOM C CA . TRP B 2 117 ? -4.051 -35.602 5.267 1.00 53.24 ? 118 TRP B CA 1 ? ? +5265 ATOM C CB . TRP B 2 117 ? -2.606 -35.909 4.782 1.00 52.74 ? 118 TRP B CB 1 ? ? +5266 ATOM C CG . TRP B 2 117 ? -1.630 -36.003 5.918 1.00 52.82 ? 118 TRP B CG 1 ? ? +5267 ATOM C CD1 . TRP B 2 117 ? -0.978 -34.976 6.514 1.00 52.55 ? 118 TRP B CD1 1 ? ? +5268 ATOM N NE1 . TRP B 2 117 ? -0.243 -35.437 7.568 1.00 52.96 ? 118 TRP B NE1 1 ? ? +5269 ATOM C CE2 . TRP B 2 117 ? -0.423 -36.780 7.685 1.00 53.37 ? 118 TRP B CE2 1 ? ? +5270 ATOM C CZ2 . TRP B 2 117 ? 0.119 -37.684 8.590 1.00 54.01 ? 118 TRP B CZ2 1 ? ? +5271 ATOM C CH2 . TRP B 2 117 ? -0.257 -39.002 8.468 1.00 54.40 ? 118 TRP B CH2 1 ? ? +5272 ATOM C CZ3 . TRP B 2 117 ? -1.136 -39.420 7.463 1.00 54.22 ? 118 TRP B CZ3 1 ? ? +5273 ATOM C CE3 . TRP B 2 117 ? -1.660 -38.519 6.558 1.00 53.66 ? 118 TRP B CE3 1 ? ? +5274 ATOM C CD2 . TRP B 2 117 ? -1.301 -37.171 6.661 1.00 53.26 ? 118 TRP B CD2 1 ? ? +5275 ATOM C C . TRP B 2 117 ? -4.556 -36.813 6.039 1.00 54.22 ? 118 TRP B C 1 ? ? +5276 ATOM O O . TRP B 2 117 ? -4.954 -37.799 5.436 1.00 54.32 ? 118 TRP B O 1 ? ? +5277 ATOM N N . ASP B 2 118 ? -4.471 -36.763 7.369 1.00 55.15 ? 119 ASP B N 1 ? ? +5278 ATOM C CA . ASP B 2 118 ? -4.746 -37.934 8.176 1.00 56.39 ? 119 ASP B CA 1 ? ? +5279 ATOM C CB . ASP B 2 118 ? -3.761 -38.030 9.359 1.00 56.92 ? 119 ASP B CB 1 ? ? +5280 ATOM C CG . ASP B 2 118 ? -3.816 -39.391 10.052 1.00 58.06 ? 119 ASP B CG 1 ? ? +5281 ATOM O OD1 . ASP B 2 118 ? -4.240 -40.391 9.392 1.00 58.60 ? 119 ASP B OD1 1 ? ? +5282 ATOM O OD2 . ASP B 2 118 ? -3.492 -39.461 11.266 1.00 58.86 ? 119 ASP B OD2 1 ? ? +5283 ATOM C C . ASP B 2 118 ? -6.198 -37.934 8.662 1.00 57.29 ? 119 ASP B C 1 ? ? +5284 ATOM O O . ASP B 2 118 ? -6.461 -37.918 9.860 1.00 57.78 ? 119 ASP B O 1 ? ? +5285 ATOM N N . LEU B 2 119 ? -7.141 -37.988 7.716 1.00 57.56 ? 120 LEU B N 1 ? ? +5286 ATOM C CA . LEU B 2 119 ? -8.551 -38.069 8.058 1.00 58.51 ? 120 LEU B CA 1 ? ? +5287 ATOM C CB . LEU B 2 119 ? -9.419 -37.479 6.945 1.00 58.32 ? 120 LEU B CB 1 ? ? +5288 ATOM C CG . LEU B 2 119 ? -9.184 -35.991 6.664 1.00 57.97 ? 120 LEU B CG 1 ? ? +5289 ATOM C CD1 . LEU B 2 119 ? -10.161 -35.442 5.628 1.00 57.69 ? 120 LEU B CD1 1 ? ? +5290 ATOM C CD2 . LEU B 2 119 ? -9.282 -35.174 7.940 1.00 58.46 ? 120 LEU B CD2 1 ? ? +5291 ATOM C C . LEU B 2 119 ? -8.959 -39.516 8.318 1.00 59.45 ? 120 LEU B C 1 ? ? +5292 ATOM O O . LEU B 2 119 ? -8.575 -40.418 7.584 1.00 59.22 ? 120 LEU B O 1 ? ? +5293 ATOM N N . GLU B 2 120 ? -9.773 -39.711 9.363 1.00 60.73 ? 121 GLU B N 1 ? ? +5294 ATOM C CA . GLU B 2 120 ? -10.289 -41.015 9.744 1.00 61.83 ? 121 GLU B CA 1 ? ? +5295 ATOM C CB . GLU B 2 120 ? -11.170 -40.834 10.992 1.00 63.65 ? 121 GLU B CB 1 ? ? +5296 ATOM C CG . GLU B 2 120 ? -12.059 -41.999 11.398 1.00 65.70 ? 121 GLU B CG 1 ? ? +5297 ATOM C CD . GLU B 2 120 ? -11.372 -43.157 12.085 1.00 67.60 ? 121 GLU B CD 1 ? ? +5298 ATOM O OE1 . GLU B 2 120 ? -10.118 -43.131 12.235 1.00 68.00 ? 121 GLU B OE1 1 ? ? +5299 ATOM O OE2 . GLU B 2 120 ? -12.113 -44.094 12.485 1.00 69.68 ? 121 GLU B OE2 1 ? ? +5300 ATOM C C . GLU B 2 120 ? -11.029 -41.704 8.598 1.00 61.13 ? 121 GLU B C 1 ? ? +5301 ATOM O O . GLU B 2 120 ? -11.011 -42.927 8.503 1.00 61.21 ? 121 GLU B O 1 ? ? +5302 ATOM N N . LEU B 2 121 ? -11.649 -40.916 7.712 1.00 60.30 ? 122 LEU B N 1 ? ? +5303 ATOM C CA . LEU B 2 121 ? -12.348 -41.457 6.557 1.00 60.02 ? 122 LEU B CA 1 ? ? +5304 ATOM C CB . LEU B 2 121 ? -12.953 -40.310 5.729 1.00 59.38 ? 122 LEU B CB 1 ? ? +5305 ATOM C CG . LEU B 2 121 ? -13.669 -40.689 4.453 1.00 59.18 ? 122 LEU B CG 1 ? ? +5306 ATOM C CD1 . LEU B 2 121 ? -14.927 -41.490 4.749 1.00 60.12 ? 122 LEU B CD1 1 ? ? +5307 ATOM C CD2 . LEU B 2 121 ? -13.992 -39.453 3.650 1.00 58.63 ? 122 LEU B CD2 1 ? ? +5308 ATOM C C . LEU B 2 121 ? -11.468 -42.339 5.675 1.00 59.70 ? 122 LEU B C 1 ? ? +5309 ATOM O O . LEU B 2 121 ? -11.954 -43.303 5.097 1.00 59.85 ? 122 LEU B O 1 ? ? +5310 ATOM N N . PHE B 2 122 ? -10.172 -42.012 5.577 1.00 59.39 ? 123 PHE B N 1 ? ? +5311 ATOM C CA . PHE B 2 122 ? -9.234 -42.764 4.747 1.00 59.13 ? 123 PHE B CA 1 ? ? +5312 ATOM C CB . PHE B 2 122 ? -8.035 -41.885 4.339 1.00 57.91 ? 123 PHE B CB 1 ? ? +5313 ATOM C CG . PHE B 2 122 ? -8.453 -40.571 3.735 1.00 57.25 ? 123 PHE B CG 1 ? ? +5314 ATOM C CD1 . PHE B 2 122 ? -9.499 -40.506 2.820 1.00 57.23 ? 123 PHE B CD1 1 ? ? +5315 ATOM C CD2 . PHE B 2 122 ? -7.823 -39.397 4.091 1.00 56.66 ? 123 PHE B CD2 1 ? ? +5316 ATOM C CE1 . PHE B 2 122 ? -9.900 -39.292 2.282 1.00 56.78 ? 123 PHE B CE1 1 ? ? +5317 ATOM C CE2 . PHE B 2 122 ? -8.217 -38.186 3.543 1.00 56.25 ? 123 PHE B CE2 1 ? ? +5318 ATOM C CZ . PHE B 2 122 ? -9.257 -38.138 2.643 1.00 56.33 ? 123 PHE B CZ 1 ? ? +5319 ATOM C C . PHE B 2 122 ? -8.692 -44.053 5.364 1.00 60.16 ? 123 PHE B C 1 ? ? +5320 ATOM O O . PHE B 2 122 ? -8.000 -44.805 4.687 1.00 59.99 ? 123 PHE B O 1 ? ? +5321 ATOM N N . ARG B 2 123 ? -9.010 -44.305 6.638 1.00 61.76 ? 124 ARG B N 1 ? ? +5322 ATOM C CA . ARG B 2 123 ? -8.654 -45.542 7.315 1.00 63.20 ? 124 ARG B CA 1 ? ? +5323 ATOM C CB . ARG B 2 123 ? -8.427 -45.285 8.811 1.00 64.45 ? 124 ARG B CB 1 ? ? +5324 ATOM C CG . ARG B 2 123 ? -7.468 -44.155 9.127 1.00 64.67 ? 124 ARG B CG 1 ? ? +5325 ATOM C CD . ARG B 2 123 ? -6.138 -44.390 8.483 1.00 65.12 ? 124 ARG B CD 1 ? ? +5326 ATOM N NE . ARG B 2 123 ? -5.149 -43.417 8.926 1.00 65.84 ? 124 ARG B NE 1 ? ? +5327 ATOM C CZ . ARG B 2 123 ? -3.988 -43.737 9.475 1.00 67.11 ? 124 ARG B CZ 1 ? ? +5328 ATOM N NH1 . ARG B 2 123 ? -3.783 -44.929 10.006 1.00 68.59 ? 124 ARG B NH1 1 ? ? +5329 ATOM N NH2 . ARG B 2 123 ? -3.013 -42.833 9.505 1.00 66.87 ? 124 ARG B NH2 1 ? ? +5330 ATOM C C . ARG B 2 123 ? -9.741 -46.605 7.207 1.00 64.06 ? 124 ARG B C 1 ? ? +5331 ATOM O O . ARG B 2 123 ? -10.921 -46.294 7.309 1.00 64.49 ? 124 ARG B O 1 ? ? +5332 ATOM N N . ASP B 2 124 ? -9.316 -47.860 7.029 1.00 64.69 ? 125 ASP B N 1 ? ? +5333 ATOM C CA . ASP B 2 124 ? -10.194 -49.006 7.135 1.00 65.99 ? 125 ASP B CA 1 ? ? +5334 ATOM C CB . ASP B 2 124 ? -9.487 -50.290 6.691 1.00 66.58 ? 125 ASP B CB 1 ? ? +5335 ATOM C CG . ASP B 2 124 ? -10.375 -51.529 6.673 1.00 67.88 ? 125 ASP B CG 1 ? ? +5336 ATOM O OD1 . ASP B 2 124 ? -10.942 -51.868 7.717 1.00 68.87 ? 125 ASP B OD1 1 ? ? +5337 ATOM O OD2 . ASP B 2 124 ? -10.481 -52.165 5.621 1.00 68.56 ? 125 ASP B OD2 1 ? ? +5338 ATOM C C . ASP B 2 124 ? -10.645 -49.119 8.588 1.00 67.04 ? 125 ASP B C 1 ? ? +5339 ATOM O O . ASP B 2 124 ? -9.810 -49.119 9.492 1.00 67.24 ? 125 ASP B O 1 ? ? +5340 ATOM N N . PRO B 2 125 ? -11.968 -49.206 8.856 1.00 67.70 ? 126 PRO B N 1 ? ? +5341 ATOM C CA . PRO B 2 125 ? -12.475 -49.328 10.224 1.00 68.65 ? 126 PRO B CA 1 ? ? +5342 ATOM C CB . PRO B 2 125 ? -14.006 -49.369 10.040 1.00 69.21 ? 126 PRO B CB 1 ? ? +5343 ATOM C CG . PRO B 2 125 ? -14.245 -48.790 8.688 1.00 68.56 ? 126 PRO B CG 1 ? ? +5344 ATOM C CD . PRO B 2 125 ? -13.048 -49.151 7.858 1.00 67.73 ? 126 PRO B CD 1 ? ? +5345 ATOM C C . PRO B 2 125 ? -12.004 -50.561 10.988 1.00 69.44 ? 126 PRO B C 1 ? ? +5346 ATOM O O . PRO B 2 125 ? -11.972 -50.543 12.210 1.00 70.00 ? 126 PRO B O 1 ? ? +5347 ATOM N N . ARG B 2 126 ? -11.681 -51.642 10.269 1.00 69.80 ? 127 ARG B N 1 ? ? +5348 ATOM C CA . ARG B 2 126 ? -11.270 -52.890 10.893 1.00 71.12 ? 127 ARG B CA 1 ? ? +5349 ATOM C CB . ARG B 2 126 ? -11.583 -54.095 9.981 1.00 72.47 ? 127 ARG B CB 1 ? ? +5350 ATOM C CG . ARG B 2 126 ? -13.103 -54.240 9.625 1.00 74.08 ? 127 ARG B CG 1 ? ? +5351 ATOM C CD . ARG B 2 126 ? -13.477 -55.462 8.766 1.00 75.45 ? 127 ARG B CD 1 ? ? +5352 ATOM N NE . ARG B 2 126 ? -12.928 -55.436 7.409 1.00 76.19 ? 127 ARG B NE 1 ? ? +5353 ATOM C CZ . ARG B 2 126 ? -13.223 -54.533 6.473 1.00 76.42 ? 127 ARG B CZ 1 ? ? +5354 ATOM N NH1 . ARG B 2 126 ? -14.114 -53.580 6.688 1.00 77.26 ? 127 ARG B NH1 1 ? ? +5355 ATOM N NH2 . ARG B 2 126 ? -12.613 -54.596 5.290 1.00 75.56 ? 127 ARG B NH2 1 ? ? +5356 ATOM C C . ARG B 2 126 ? -9.785 -52.865 11.248 1.00 70.60 ? 127 ARG B C 1 ? ? +5357 ATOM O O . ARG B 2 126 ? -9.418 -53.106 12.394 1.00 71.02 ? 127 ARG B O 1 ? ? +5358 ATOM N N . THR B 2 127 ? -8.939 -52.554 10.259 1.00 69.66 ? 128 THR B N 1 ? ? +5359 ATOM C CA . THR B 2 127 ? -7.495 -52.668 10.398 1.00 69.10 ? 128 THR B CA 1 ? ? +5360 ATOM C CB . THR B 2 127 ? -6.880 -53.169 9.089 1.00 68.48 ? 128 THR B CB 1 ? ? +5361 ATOM O OG1 . THR B 2 127 ? -6.900 -52.120 8.117 1.00 67.54 ? 128 THR B OG1 1 ? ? +5362 ATOM C CG2 . THR B 2 127 ? -7.592 -54.399 8.566 1.00 69.06 ? 128 THR B CG2 1 ? ? +5363 ATOM C C . THR B 2 127 ? -6.801 -51.373 10.814 1.00 68.65 ? 128 THR B C 1 ? ? +5364 ATOM O O . THR B 2 127 ? -5.713 -51.422 11.377 1.00 68.63 ? 128 THR B O 1 ? ? +5365 ATOM N N . GLY B 2 128 ? -7.414 -50.222 10.505 1.00 68.28 ? 129 GLY B N 1 ? ? +5366 ATOM C CA . GLY B 2 128 ? -6.829 -48.922 10.808 1.00 67.36 ? 129 GLY B CA 1 ? ? +5367 ATOM C C . GLY B 2 128 ? -5.764 -48.466 9.813 1.00 66.23 ? 129 GLY B C 1 ? ? +5368 ATOM O O . GLY B 2 128 ? -5.123 -47.436 10.018 1.00 65.37 ? 129 GLY B O 1 ? ? +5369 ATOM N N . GLU B 2 129 ? -5.609 -49.227 8.722 1.00 65.99 ? 130 GLU B N 1 ? ? +5370 ATOM C CA . GLU B 2 129 ? -4.676 -48.893 7.661 1.00 65.23 ? 130 GLU B CA 1 ? ? +5371 ATOM C CB . GLU B 2 129 ? -4.146 -50.181 7.038 1.00 66.22 ? 130 GLU B CB 1 ? ? +5372 ATOM C CG . GLU B 2 129 ? -3.347 -51.038 8.006 1.00 67.99 ? 130 GLU B CG 1 ? ? +5373 ATOM C CD . GLU B 2 129 ? -1.969 -50.474 8.337 1.00 68.97 ? 130 GLU B CD 1 ? ? +5374 ATOM O OE1 . GLU B 2 129 ? -1.163 -50.233 7.404 1.00 68.24 ? 130 GLU B OE1 1 ? ? +5375 ATOM O OE2 . GLU B 2 129 ? -1.706 -50.253 9.543 1.00 70.84 ? 130 GLU B OE2 1 ? ? +5376 ATOM C C . GLU B 2 129 ? -5.332 -48.033 6.582 1.00 64.03 ? 130 GLU B C 1 ? ? +5377 ATOM O O . GLU B 2 129 ? -6.532 -48.134 6.368 1.00 64.36 ? 130 GLU B O 1 ? ? +5378 ATOM N N . PRO B 2 130 ? -4.580 -47.175 5.853 1.00 62.65 ? 131 PRO B N 1 ? ? +5379 ATOM C CA . PRO B 2 130 ? -5.167 -46.400 4.759 1.00 61.68 ? 131 PRO B CA 1 ? ? +5380 ATOM C CB . PRO B 2 130 ? -3.975 -45.617 4.181 1.00 60.89 ? 131 PRO B CB 1 ? ? +5381 ATOM C CG . PRO B 2 130 ? -2.895 -45.689 5.226 1.00 60.97 ? 131 PRO B CG 1 ? ? +5382 ATOM C CD . PRO B 2 130 ? -3.134 -46.927 6.023 1.00 62.00 ? 131 PRO B CD 1 ? ? +5383 ATOM C C . PRO B 2 130 ? -5.782 -47.342 3.732 1.00 61.35 ? 131 PRO B C 1 ? ? +5384 ATOM O O . PRO B 2 130 ? -5.186 -48.364 3.405 1.00 61.51 ? 131 PRO B O 1 ? ? +5385 ATOM N N . ALA B 2 131 ? -6.973 -46.996 3.239 1.00 60.93 ? 132 ALA B N 1 ? ? +5386 ATOM C CA . ALA B 2 131 ? -7.714 -47.884 2.358 1.00 60.70 ? 132 ALA B CA 1 ? ? +5387 ATOM C CB . ALA B 2 131 ? -8.332 -49.027 3.148 1.00 61.64 ? 132 ALA B CB 1 ? ? +5388 ATOM C C . ALA B 2 131 ? -8.795 -47.124 1.597 1.00 59.97 ? 132 ALA B C 1 ? ? +5389 ATOM O O . ALA B 2 131 ? -9.424 -46.218 2.138 1.00 60.19 ? 132 ALA B O 1 ? ? +5390 ATOM N N . LEU B 2 132 ? -8.972 -47.495 0.326 1.00 59.04 ? 133 LEU B N 1 ? ? +5391 ATOM C CA . LEU B 2 132 ? -9.998 -46.934 -0.530 1.00 58.35 ? 133 LEU B CA 1 ? ? +5392 ATOM C CB . LEU B 2 132 ? -9.397 -46.057 -1.622 1.00 57.41 ? 133 LEU B CB 1 ? ? +5393 ATOM C CG . LEU B 2 132 ? -8.757 -44.753 -1.161 1.00 56.84 ? 133 LEU B CG 1 ? ? +5394 ATOM C CD1 . LEU B 2 132 ? -7.986 -44.089 -2.286 1.00 56.09 ? 133 LEU B CD1 1 ? ? +5395 ATOM C CD2 . LEU B 2 132 ? -9.768 -43.805 -0.648 1.00 56.99 ? 133 LEU B CD2 1 ? ? +5396 ATOM C C . LEU B 2 132 ? -10.739 -48.120 -1.131 1.00 58.47 ? 133 LEU B C 1 ? ? +5397 ATOM O O . LEU B 2 132 ? -10.122 -48.989 -1.740 1.00 58.22 ? 133 LEU B O 1 ? ? +5398 ATOM N N . ASP B 2 133 ? -12.056 -48.165 -0.908 1.00 58.70 ? 134 ASP B N 1 ? ? +5399 ATOM C CA . ASP B 2 133 ? -12.891 -49.205 -1.479 1.00 59.02 ? 134 ASP B CA 1 ? ? +5400 ATOM C CB . ASP B 2 133 ? -14.178 -49.364 -0.663 1.00 59.93 ? 134 ASP B CB 1 ? ? +5401 ATOM C CG . ASP B 2 133 ? -15.021 -50.534 -1.081 1.00 60.66 ? 134 ASP B CG 1 ? ? +5402 ATOM O OD1 . ASP B 2 133 ? -14.512 -51.384 -1.843 1.00 60.76 ? 134 ASP B OD1 1 ? ? +5403 ATOM O OD2 . ASP B 2 133 ? -16.178 -50.609 -0.646 1.00 61.47 ? 134 ASP B OD2 1 ? ? +5404 ATOM C C . ASP B 2 133 ? -13.192 -48.833 -2.932 1.00 58.32 ? 134 ASP B C 1 ? ? +5405 ATOM O O . ASP B 2 133 ? -14.231 -48.258 -3.248 1.00 58.65 ? 134 ASP B O 1 ? ? +5406 ATOM N N . LEU B 2 134 ? -12.258 -49.169 -3.820 1.00 57.42 ? 135 LEU B N 1 ? ? +5407 ATOM C CA . LEU B 2 134 ? -12.304 -48.724 -5.202 1.00 56.45 ? 135 LEU B CA 1 ? ? +5408 ATOM C CB . LEU B 2 134 ? -11.001 -49.175 -5.913 1.00 55.78 ? 135 LEU B CB 1 ? ? +5409 ATOM C CG . LEU B 2 134 ? -9.715 -48.631 -5.321 1.00 55.28 ? 135 LEU B CG 1 ? ? +5410 ATOM C CD1 . LEU B 2 134 ? -8.487 -49.232 -5.988 1.00 54.91 ? 135 LEU B CD1 1 ? ? +5411 ATOM C CD2 . LEU B 2 134 ? -9.646 -47.145 -5.445 1.00 54.67 ? 135 LEU B CD2 1 ? ? +5412 ATOM C C . LEU B 2 134 ? -13.544 -49.214 -5.951 1.00 56.54 ? 135 LEU B C 1 ? ? +5413 ATOM O O . LEU B 2 134 ? -14.077 -48.485 -6.775 1.00 56.24 ? 135 LEU B O 1 ? ? +5414 ATOM N N . PRO B 2 135 ? -14.028 -50.455 -5.740 1.00 56.97 ? 136 PRO B N 1 ? ? +5415 ATOM C CA . PRO B 2 135 ? -15.289 -50.898 -6.350 1.00 57.40 ? 136 PRO B CA 1 ? ? +5416 ATOM C CB . PRO B 2 135 ? -15.474 -52.289 -5.765 1.00 58.19 ? 136 PRO B CB 1 ? ? +5417 ATOM C CG . PRO B 2 135 ? -14.025 -52.751 -5.498 1.00 57.90 ? 136 PRO B CG 1 ? ? +5418 ATOM C CD . PRO B 2 135 ? -13.366 -51.525 -4.980 1.00 57.32 ? 136 PRO B CD 1 ? ? +5419 ATOM C C . PRO B 2 135 ? -16.506 -50.019 -6.070 1.00 57.47 ? 136 PRO B C 1 ? ? +5420 ATOM O O . PRO B 2 135 ? -17.258 -49.698 -6.982 1.00 57.37 ? 136 PRO B O 1 ? ? +5421 ATOM N N . LYS B 2 136 ? -16.685 -49.618 -4.812 1.00 57.66 ? 137 LYS B N 1 ? ? +5422 ATOM C CA . LYS B 2 136 ? -17.777 -48.730 -4.470 1.00 57.89 ? 137 LYS B CA 1 ? ? +5423 ATOM C CB . LYS B 2 136 ? -18.038 -48.770 -2.979 1.00 58.58 ? 137 LYS B CB 1 ? ? +5424 ATOM C CG . LYS B 2 136 ? -19.399 -48.200 -2.604 1.00 59.14 ? 137 LYS B CG 1 ? ? +5425 ATOM C CD . LYS B 2 136 ? -19.674 -48.325 -1.167 1.00 59.86 ? 137 LYS B CD 1 ? ? +5426 ATOM C CE . LYS B 2 136 ? -19.848 -49.765 -0.751 1.00 60.75 ? 137 LYS B CE 1 ? ? +5427 ATOM N NZ . LYS B 2 136 ? -20.112 -49.866 0.707 1.00 61.50 ? 137 LYS B NZ 1 ? ? +5428 ATOM C C . LYS B 2 136 ? -17.545 -47.294 -4.933 1.00 57.07 ? 137 LYS B C 1 ? ? +5429 ATOM O O . LYS B 2 136 ? -18.479 -46.619 -5.361 1.00 57.19 ? 137 LYS B O 1 ? ? +5430 ATOM N N . MET B 2 137 ? -16.302 -46.820 -4.835 1.00 56.29 ? 138 MET B N 1 ? ? +5431 ATOM C CA . MET B 2 137 ? -15.964 -45.489 -5.305 1.00 55.49 ? 138 MET B CA 1 ? ? +5432 ATOM C CB . MET B 2 137 ? -14.464 -45.230 -5.144 1.00 55.01 ? 138 MET B CB 1 ? ? +5433 ATOM C CG . MET B 2 137 ? -14.049 -44.893 -3.747 1.00 55.27 ? 138 MET B CG 1 ? ? +5434 ATOM S SD . MET B 2 137 ? -12.235 -44.851 -3.617 1.00 54.92 ? 138 MET B SD 1 ? ? +5435 ATOM C CE . MET B 2 137 ? -11.877 -43.639 -4.770 1.00 54.02 ? 138 MET B CE 1 ? ? +5436 ATOM C C . MET B 2 137 ? -16.343 -45.334 -6.775 1.00 54.97 ? 138 MET B C 1 ? ? +5437 ATOM O O . MET B 2 137 ? -16.858 -44.301 -7.189 1.00 54.71 ? 138 MET B O 1 ? ? +5438 ATOM N N . PHE B 2 138 ? -16.050 -46.368 -7.563 1.00 54.81 ? 139 PHE B N 1 ? ? +5439 ATOM C CA . PHE B 2 138 ? -16.392 -46.393 -8.974 1.00 54.43 ? 139 PHE B CA 1 ? ? +5440 ATOM C CB . PHE B 2 138 ? -15.858 -47.679 -9.630 1.00 54.42 ? 139 PHE B CB 1 ? ? +5441 ATOM C CG . PHE B 2 138 ? -16.286 -47.784 -11.063 1.00 54.23 ? 139 PHE B CG 1 ? ? +5442 ATOM C CD1 . PHE B 2 138 ? -15.833 -46.878 -11.999 1.00 53.48 ? 139 PHE B CD1 1 ? ? +5443 ATOM C CD2 . PHE B 2 138 ? -17.215 -48.741 -11.461 1.00 54.83 ? 139 PHE B CD2 1 ? ? +5444 ATOM C CE1 . PHE B 2 138 ? -16.247 -46.960 -13.320 1.00 53.41 ? 139 PHE B CE1 1 ? ? +5445 ATOM C CE2 . PHE B 2 138 ? -17.628 -48.818 -12.779 1.00 54.73 ? 139 PHE B CE2 1 ? ? +5446 ATOM C CZ . PHE B 2 138 ? -17.150 -47.931 -13.698 1.00 54.04 ? 139 PHE B CZ 1 ? ? +5447 ATOM C C . PHE B 2 138 ? -17.908 -46.284 -9.188 1.00 54.87 ? 139 PHE B C 1 ? ? +5448 ATOM O O . PHE B 2 138 ? -18.368 -45.536 -10.046 1.00 54.53 ? 139 PHE B O 1 ? ? +5449 ATOM N N . GLY B 2 139 ? -18.681 -47.031 -8.404 1.00 55.56 ? 140 GLY B N 1 ? ? +5450 ATOM C CA . GLY B 2 139 ? -20.134 -46.944 -8.463 1.00 56.18 ? 140 GLY B CA 1 ? ? +5451 ATOM C C . GLY B 2 139 ? -20.648 -45.528 -8.219 1.00 55.93 ? 140 GLY B C 1 ? ? +5452 ATOM O O . GLY B 2 139 ? -21.394 -44.990 -9.028 1.00 55.87 ? 140 GLY B O 1 ? ? +5453 ATOM N N . ILE B 2 140 ? -20.185 -44.922 -7.121 1.00 55.73 ? 141 ILE B N 1 ? ? +5454 ATOM C CA . ILE B 2 140 ? -20.544 -43.561 -6.769 1.00 55.48 ? 141 ILE B CA 1 ? ? +5455 ATOM C CB . ILE B 2 140 ? -19.835 -43.151 -5.472 1.00 55.32 ? 141 ILE B CB 1 ? ? +5456 ATOM C CG1 . ILE B 2 140 ? -20.303 -44.028 -4.299 1.00 56.18 ? 141 ILE B CG1 1 ? ? +5457 ATOM C CG2 . ILE B 2 140 ? -20.040 -41.675 -5.180 1.00 55.01 ? 141 ILE B CG2 1 ? ? +5458 ATOM C CD1 . ILE B 2 140 ? -19.626 -43.793 -3.019 1.00 56.18 ? 141 ILE B CD1 1 ? ? +5459 ATOM C C . ILE B 2 140 ? -20.234 -42.594 -7.907 1.00 54.75 ? 141 ILE B C 1 ? ? +5460 ATOM O O . ILE B 2 140 ? -21.106 -41.855 -8.345 1.00 54.86 ? 141 ILE B O 1 ? ? +5461 ATOM N N . HIS B 2 141 ? -18.985 -42.612 -8.383 1.00 54.09 ? 142 HIS B N 1 ? ? +5462 ATOM C CA . HIS B 2 141 ? -18.540 -41.717 -9.438 1.00 53.35 ? 142 HIS B CA 1 ? ? +5463 ATOM C CB . HIS B 2 141 ? -17.011 -41.870 -9.645 1.00 52.69 ? 142 HIS B CB 1 ? ? +5464 ATOM C CG . HIS B 2 141 ? -16.193 -41.381 -8.486 1.00 52.46 ? 142 HIS B CG 1 ? ? +5465 ATOM N ND1 . HIS B 2 141 ? -14.859 -41.649 -8.387 1.00 52.01 ? 142 HIS B ND1 1 ? ? +5466 ATOM C CE1 . HIS B 2 141 ? -14.459 -41.103 -7.251 1.00 51.98 ? 142 HIS B CE1 1 ? ? +5467 ATOM N NE2 . HIS B 2 141 ? -15.459 -40.500 -6.633 1.00 52.33 ? 142 HIS B NE2 1 ? ? +5468 ATOM C CD2 . HIS B 2 141 ? -16.570 -40.679 -7.401 1.00 52.68 ? 142 HIS B CD2 1 ? ? +5469 ATOM C C . HIS B 2 141 ? -19.273 -41.932 -10.760 1.00 53.50 ? 142 HIS B C 1 ? ? +5470 ATOM O O . HIS B 2 141 ? -19.617 -40.969 -11.443 1.00 53.19 ? 142 HIS B O 1 ? ? +5471 ATOM N N . LEU B 2 142 ? -19.482 -43.199 -11.126 1.00 54.00 ? 143 LEU B N 1 ? ? +5472 ATOM C CA . LEU B 2 142 ? -20.250 -43.527 -12.315 1.00 54.33 ? 143 LEU B CA 1 ? ? +5473 ATOM C CB . LEU B 2 142 ? -20.279 -45.053 -12.543 1.00 54.83 ? 143 LEU B CB 1 ? ? +5474 ATOM C CG . LEU B 2 142 ? -20.910 -45.546 -13.838 1.00 55.03 ? 143 LEU B CG 1 ? ? +5475 ATOM C CD1 . LEU B 2 142 ? -20.181 -45.020 -15.058 1.00 54.30 ? 143 LEU B CD1 1 ? ? +5476 ATOM C CD2 . LEU B 2 142 ? -20.883 -47.029 -13.894 1.00 55.52 ? 143 LEU B CD2 1 ? ? +5477 ATOM C C . LEU B 2 142 ? -21.684 -43.011 -12.228 1.00 54.94 ? 143 LEU B C 1 ? ? +5478 ATOM O O . LEU B 2 142 ? -22.211 -42.502 -13.207 1.00 54.85 ? 143 LEU B O 1 ? ? +5479 ATOM N N . PHE B 2 143 ? -22.304 -43.138 -11.054 1.00 55.63 ? 144 PHE B N 1 ? ? +5480 ATOM C CA . PHE B 2 143 ? -23.667 -42.662 -10.848 1.00 56.35 ? 144 PHE B CA 1 ? ? +5481 ATOM C CB . PHE B 2 143 ? -24.157 -43.002 -9.433 1.00 57.00 ? 144 PHE B CB 1 ? ? +5482 ATOM C CG . PHE B 2 143 ? -25.484 -42.437 -9.020 1.00 57.63 ? 144 PHE B CG 1 ? ? +5483 ATOM C CD1 . PHE B 2 143 ? -26.671 -43.028 -9.432 1.00 58.38 ? 144 PHE B CD1 1 ? ? +5484 ATOM C CD2 . PHE B 2 143 ? -25.555 -41.316 -8.219 1.00 57.53 ? 144 PHE B CD2 1 ? ? +5485 ATOM C CE1 . PHE B 2 143 ? -27.897 -42.505 -9.044 1.00 59.02 ? 144 PHE B CE1 1 ? ? +5486 ATOM C CE2 . PHE B 2 143 ? -26.792 -40.802 -7.821 1.00 58.15 ? 144 PHE B CE2 1 ? ? +5487 ATOM C CZ . PHE B 2 143 ? -27.949 -41.398 -8.239 1.00 58.90 ? 144 PHE B CZ 1 ? ? +5488 ATOM C C . PHE B 2 143 ? -23.726 -41.156 -11.083 1.00 56.01 ? 144 PHE B C 1 ? ? +5489 ATOM O O . PHE B 2 143 ? -24.657 -40.678 -11.739 1.00 56.25 ? 144 PHE B O 1 ? ? +5490 ATOM N N . LEU B 2 144 ? -22.725 -40.434 -10.550 1.00 55.43 ? 145 LEU B N 1 ? ? +5491 ATOM C CA . LEU B 2 144 ? -22.646 -38.992 -10.705 1.00 55.04 ? 145 LEU B CA 1 ? ? +5492 ATOM C CB . LEU B 2 144 ? -21.485 -38.383 -9.872 1.00 54.64 ? 145 LEU B CB 1 ? ? +5493 ATOM C CG . LEU B 2 144 ? -21.685 -38.362 -8.351 1.00 55.24 ? 145 LEU B CG 1 ? ? +5494 ATOM C CD1 . LEU B 2 144 ? -20.487 -37.887 -7.660 1.00 54.67 ? 145 LEU B CD1 1 ? ? +5495 ATOM C CD2 . LEU B 2 144 ? -22.892 -37.457 -7.934 1.00 55.84 ? 145 LEU B CD2 1 ? ? +5496 ATOM C C . LEU B 2 144 ? -22.455 -38.601 -12.162 1.00 54.53 ? 145 LEU B C 1 ? ? +5497 ATOM O O . LEU B 2 144 ? -23.074 -37.639 -12.623 1.00 54.56 ? 145 LEU B O 1 ? ? +5498 ATOM N N . ALA B 2 145 ? -21.579 -39.343 -12.855 1.00 54.07 ? 146 ALA B N 1 ? ? +5499 ATOM C CA . ALA B 2 145 ? -21.317 -39.107 -14.264 1.00 53.51 ? 146 ALA B CA 1 ? ? +5500 ATOM C CB . ALA B 2 145 ? -20.207 -40.030 -14.759 1.00 53.10 ? 146 ALA B CB 1 ? ? +5501 ATOM C C . ALA B 2 145 ? -22.594 -39.320 -15.078 1.00 53.98 ? 146 ALA B C 1 ? ? +5502 ATOM O O . ALA B 2 145 ? -22.890 -38.563 -15.992 1.00 53.71 ? 146 ALA B O 1 ? ? +5503 ATOM N N . GLY B 2 146 ? -23.330 -40.379 -14.746 1.00 54.73 ? 147 GLY B N 1 ? ? +5504 ATOM C CA . GLY B 2 146 ? -24.650 -40.621 -15.308 1.00 55.44 ? 147 GLY B CA 1 ? ? +5505 ATOM C C . GLY B 2 146 ? -25.582 -39.418 -15.179 1.00 55.66 ? 147 GLY B C 1 ? ? +5506 ATOM O O . GLY B 2 146 ? -26.063 -38.902 -16.186 1.00 55.59 ? 147 GLY B O 1 ? ? +5507 ATOM N N A LEU B 2 147 ? -25.815 -38.983 -13.934 0.50 55.89 ? 148 LEU B N 1 ? ? +5508 ATOM N N B LEU B 2 147 ? -25.809 -38.976 -13.935 0.50 56.00 ? 148 LEU B N 1 ? ? +5509 ATOM C CA A LEU B 2 147 ? -26.686 -37.852 -13.653 0.50 56.13 ? 148 LEU B CA 1 ? ? +5510 ATOM C CA B LEU B 2 147 ? -26.688 -37.853 -13.647 0.50 56.33 ? 148 LEU B CA 1 ? ? +5511 ATOM C C A LEU B 2 147 ? -26.295 -36.632 -14.481 0.50 55.45 ? 148 LEU B C 1 ? ? +5512 ATOM C C B LEU B 2 147 ? -26.297 -36.633 -14.477 0.50 55.56 ? 148 LEU B C 1 ? ? +5513 ATOM O O A LEU B 2 147 ? -27.141 -35.977 -15.090 0.50 55.64 ? 148 LEU B O 1 ? ? +5514 ATOM O O B LEU B 2 147 ? -27.142 -35.979 -15.089 0.50 55.74 ? 148 LEU B O 1 ? ? +5515 ATOM C CB A LEU B 2 147 ? -26.613 -37.489 -12.172 0.50 56.29 ? 148 LEU B CB 1 ? ? +5516 ATOM C CB B LEU B 2 147 ? -26.600 -37.502 -12.158 0.50 56.65 ? 148 LEU B CB 1 ? ? +5517 ATOM C CG A LEU B 2 147 ? -27.242 -38.483 -11.202 0.50 57.15 ? 148 LEU B CG 1 ? ? +5518 ATOM C CG B LEU B 2 147 ? -27.924 -37.445 -11.380 0.50 57.72 ? 148 LEU B CG 1 ? ? +5519 ATOM C CD1 A LEU B 2 147 ? -27.034 -38.021 -9.793 0.50 57.23 ? 148 LEU B CD1 1 ? ? +5520 ATOM C CD1 B LEU B 2 147 ? -27.736 -36.705 -10.067 0.50 57.78 ? 148 LEU B CD1 1 ? ? +5521 ATOM C CD2 A LEU B 2 147 ? -28.745 -38.678 -11.466 0.50 58.02 ? 148 LEU B CD2 1 ? ? +5522 ATOM C CD2 B LEU B 2 147 ? -29.057 -36.819 -12.198 0.50 58.06 ? 148 LEU B CD2 1 ? ? +5523 ATOM N N . LEU B 2 148 ? -24.990 -36.351 -14.506 1.00 54.64 ? 149 LEU B N 1 ? ? +5524 ATOM C CA . LEU B 2 148 ? -24.482 -35.177 -15.186 1.00 53.91 ? 149 LEU B CA 1 ? ? +5525 ATOM C CB . LEU B 2 148 ? -22.997 -34.976 -14.838 1.00 53.34 ? 149 LEU B CB 1 ? ? +5526 ATOM C CG . LEU B 2 148 ? -22.572 -33.574 -14.852 1.00 53.02 ? 149 LEU B CG 1 ? ? +5527 ATOM C CD1 . LEU B 2 148 ? -23.343 -32.782 -13.815 1.00 53.52 ? 149 LEU B CD1 1 ? ? +5528 ATOM C CD2 . LEU B 2 148 ? -21.063 -33.436 -14.570 1.00 52.38 ? 149 LEU B CD2 1 ? ? +5529 ATOM C C . LEU B 2 148 ? -24.670 -35.320 -16.692 1.00 53.53 ? 149 LEU B C 1 ? ? +5530 ATOM O O . LEU B 2 148 ? -25.122 -34.393 -17.361 1.00 53.49 ? 149 LEU B O 1 ? ? +5531 ATOM N N . CYS B 2 149 ? -24.314 -36.499 -17.207 1.00 53.22 ? 150 CYS B N 1 ? ? +5532 ATOM C CA . CYS B 2 149 ? -24.481 -36.840 -18.611 1.00 52.95 ? 150 CYS B CA 1 ? ? +5533 ATOM C CB . CYS B 2 149 ? -23.962 -38.260 -18.851 1.00 52.93 ? 150 CYS B CB 1 ? ? +5534 ATOM S SG . CYS B 2 149 ? -23.999 -38.803 -20.576 1.00 52.83 ? 150 CYS B SG 1 ? ? +5535 ATOM C C . CYS B 2 149 ? -25.942 -36.672 -19.039 1.00 53.44 ? 150 CYS B C 1 ? ? +5536 ATOM O O . CYS B 2 149 ? -26.222 -35.960 -19.999 1.00 53.23 ? 150 CYS B O 1 ? ? +5537 ATOM N N . PHE B 2 150 ? -26.864 -37.302 -18.299 1.00 54.07 ? 151 PHE B N 1 ? ? +5538 ATOM C CA . PHE B 2 150 ? -28.299 -37.175 -18.541 1.00 54.72 ? 151 PHE B CA 1 ? ? +5539 ATOM C CB . PHE B 2 150 ? -29.095 -37.907 -17.452 1.00 55.50 ? 151 PHE B CB 1 ? ? +5540 ATOM C CG . PHE B 2 150 ? -30.587 -37.680 -17.514 1.00 56.34 ? 151 PHE B CG 1 ? ? +5541 ATOM C CD1 . PHE B 2 150 ? -31.362 -38.301 -18.482 1.00 56.83 ? 151 PHE B CD1 1 ? ? +5542 ATOM C CD2 . PHE B 2 150 ? -31.218 -36.836 -16.612 1.00 56.64 ? 151 PHE B CD2 1 ? ? +5543 ATOM C CE1 . PHE B 2 150 ? -32.737 -38.084 -18.538 1.00 57.66 ? 151 PHE B CE1 1 ? ? +5544 ATOM C CE2 . PHE B 2 150 ? -32.606 -36.631 -16.671 1.00 57.44 ? 151 PHE B CE2 1 ? ? +5545 ATOM C CZ . PHE B 2 150 ? -33.345 -37.252 -17.629 1.00 57.94 ? 151 PHE B CZ 1 ? ? +5546 ATOM C C . PHE B 2 150 ? -28.738 -35.713 -18.581 1.00 54.56 ? 151 PHE B C 1 ? ? +5547 ATOM O O . PHE B 2 150 ? -29.407 -35.281 -19.524 1.00 54.70 ? 151 PHE B O 1 ? ? +5548 ATOM N N . GLY B 2 151 ? -28.331 -34.963 -17.547 1.00 54.22 ? 152 GLY B N 1 ? ? +5549 ATOM C CA . GLY B 2 151 ? -28.752 -33.580 -17.375 1.00 54.12 ? 152 GLY B CA 1 ? ? +5550 ATOM C C . GLY B 2 151 ? -28.250 -32.645 -18.469 1.00 53.41 ? 152 GLY B C 1 ? ? +5551 ATOM O O . GLY B 2 151 ? -28.950 -31.718 -18.872 1.00 53.55 ? 152 GLY B O 1 ? ? +5552 ATOM N N . PHE B 2 152 ? -27.015 -32.890 -18.912 1.00 52.61 ? 153 PHE B N 1 ? ? +5553 ATOM C CA . PHE B 2 152 ? -26.430 -32.167 -20.023 1.00 51.96 ? 153 PHE B CA 1 ? ? +5554 ATOM C CB . PHE B 2 152 ? -24.984 -32.653 -20.278 1.00 51.25 ? 153 PHE B CB 1 ? ? +5555 ATOM C CG . PHE B 2 152 ? -24.292 -32.001 -21.444 1.00 50.64 ? 153 PHE B CG 1 ? ? +5556 ATOM C CD1 . PHE B 2 152 ? -24.140 -30.627 -21.499 1.00 50.32 ? 153 PHE B CD1 1 ? ? +5557 ATOM C CD2 . PHE B 2 152 ? -23.757 -32.764 -22.472 1.00 50.44 ? 153 PHE B CD2 1 ? ? +5558 ATOM C CE1 . PHE B 2 152 ? -23.475 -30.025 -22.566 1.00 49.78 ? 153 PHE B CE1 1 ? ? +5559 ATOM C CE2 . PHE B 2 152 ? -23.100 -32.159 -23.542 1.00 49.88 ? 153 PHE B CE2 1 ? ? +5560 ATOM C CZ . PHE B 2 152 ? -22.967 -30.793 -23.583 1.00 49.57 ? 153 PHE B CZ 1 ? ? +5561 ATOM C C . PHE B 2 152 ? -27.267 -32.380 -21.275 1.00 52.25 ? 153 PHE B C 1 ? ? +5562 ATOM O O . PHE B 2 152 ? -27.625 -31.427 -21.955 1.00 52.22 ? 153 PHE B O 1 ? ? +5563 ATOM N N . GLY B 2 153 ? -27.544 -33.646 -21.577 1.00 52.56 ? 154 GLY B N 1 ? ? +5564 ATOM C CA . GLY B 2 153 ? -28.409 -33.991 -22.690 1.00 53.02 ? 154 GLY B CA 1 ? ? +5565 ATOM C C . GLY B 2 153 ? -29.838 -33.456 -22.565 1.00 53.72 ? 154 GLY B C 1 ? ? +5566 ATOM O O . GLY B 2 153 ? -30.336 -32.835 -23.495 1.00 53.75 ? 154 GLY B O 1 ? ? +5567 ATOM N N . ALA B 2 154 ? -30.473 -33.679 -21.414 1.00 54.26 ? 155 ALA B N 1 ? ? +5568 ATOM C CA . ALA B 2 154 ? -31.916 -33.463 -21.297 1.00 55.17 ? 155 ALA B CA 1 ? ? +5569 ATOM C CB . ALA B 2 154 ? -32.511 -34.251 -20.141 1.00 55.84 ? 155 ALA B CB 1 ? ? +5570 ATOM C C . ALA B 2 154 ? -32.275 -31.987 -21.150 1.00 55.13 ? 155 ALA B C 1 ? ? +5571 ATOM O O . ALA B 2 154 ? -33.340 -31.583 -21.587 1.00 55.68 ? 155 ALA B O 1 ? ? +5572 ATOM N N . PHE B 2 155 ? -31.357 -31.186 -20.588 1.00 54.48 ? 156 PHE B N 1 ? ? +5573 ATOM C CA . PHE B 2 155 ? -31.637 -29.794 -20.271 1.00 54.46 ? 156 PHE B CA 1 ? ? +5574 ATOM C CB . PHE B 2 155 ? -31.416 -29.562 -18.768 1.00 54.42 ? 156 PHE B CB 1 ? ? +5575 ATOM C CG . PHE B 2 155 ? -32.324 -30.385 -17.878 1.00 55.25 ? 156 PHE B CG 1 ? ? +5576 ATOM C CD1 . PHE B 2 155 ? -33.712 -30.185 -17.889 1.00 56.12 ? 156 PHE B CD1 1 ? ? +5577 ATOM C CD2 . PHE B 2 155 ? -31.807 -31.366 -17.047 1.00 55.21 ? 156 PHE B CD2 1 ? ? +5578 ATOM C CE1 . PHE B 2 155 ? -34.546 -30.942 -17.073 1.00 56.91 ? 156 PHE B CE1 1 ? ? +5579 ATOM C CE2 . PHE B 2 155 ? -32.644 -32.125 -16.240 1.00 56.03 ? 156 PHE B CE2 1 ? ? +5580 ATOM C CZ . PHE B 2 155 ? -34.011 -31.914 -16.261 1.00 56.87 ? 156 PHE B CZ 1 ? ? +5581 ATOM C C . PHE B 2 155 ? -30.808 -28.795 -21.081 1.00 53.76 ? 156 PHE B C 1 ? ? +5582 ATOM O O . PHE B 2 155 ? -31.348 -27.850 -21.652 1.00 53.87 ? 156 PHE B O 1 ? ? +5583 ATOM N N . HIS B 2 156 ? -29.489 -29.007 -21.152 1.00 53.05 ? 157 HIS B N 1 ? ? +5584 ATOM C CA . HIS B 2 156 ? -28.637 -28.060 -21.844 1.00 52.38 ? 157 HIS B CA 1 ? ? +5585 ATOM C CB . HIS B 2 156 ? -27.155 -28.282 -21.510 1.00 51.65 ? 157 HIS B CB 1 ? ? +5586 ATOM C CG . HIS B 2 156 ? -26.254 -27.304 -22.199 1.00 50.98 ? 157 HIS B CG 1 ? ? +5587 ATOM N ND1 . HIS B 2 156 ? -25.409 -26.485 -21.488 1.00 50.54 ? 157 HIS B ND1 1 ? ? +5588 ATOM C CE1 . HIS B 2 156 ? -24.770 -25.733 -22.392 1.00 50.05 ? 157 HIS B CE1 1 ? ? +5589 ATOM N NE2 . HIS B 2 156 ? -25.176 -26.032 -23.628 1.00 50.22 ? 157 HIS B NE2 1 ? ? +5590 ATOM C CD2 . HIS B 2 156 ? -26.134 -27.021 -23.515 1.00 50.80 ? 157 HIS B CD2 1 ? ? +5591 ATOM C C . HIS B 2 156 ? -28.857 -28.131 -23.349 1.00 52.41 ? 157 HIS B C 1 ? ? +5592 ATOM O O . HIS B 2 156 ? -29.139 -27.122 -23.984 1.00 52.33 ? 157 HIS B O 1 ? ? +5593 ATOM N N . LEU B 2 157 ? -28.693 -29.324 -23.916 1.00 52.54 ? 158 LEU B N 1 ? ? +5594 ATOM C CA . LEU B 2 157 ? -28.683 -29.481 -25.361 1.00 52.60 ? 158 LEU B CA 1 ? ? +5595 ATOM C CB . LEU B 2 157 ? -28.089 -30.827 -25.747 1.00 52.46 ? 158 LEU B CB 1 ? ? +5596 ATOM C CG . LEU B 2 157 ? -26.653 -31.045 -25.337 1.00 51.70 ? 158 LEU B CG 1 ? ? +5597 ATOM C CD1 . LEU B 2 157 ? -26.170 -32.394 -25.798 1.00 51.66 ? 158 LEU B CD1 1 ? ? +5598 ATOM C CD2 . LEU B 2 157 ? -25.783 -29.953 -25.866 1.00 51.00 ? 158 LEU B CD2 1 ? ? +5599 ATOM C C . LEU B 2 157 ? -30.071 -29.350 -25.981 1.00 53.53 ? 158 LEU B C 1 ? ? +5600 ATOM O O . LEU B 2 157 ? -30.186 -28.820 -27.082 1.00 53.51 ? 158 LEU B O 1 ? ? +5601 ATOM N N . THR B 2 158 ? -31.105 -29.825 -25.278 1.00 54.43 ? 159 THR B N 1 ? ? +5602 ATOM C CA . THR B 2 158 ? -32.469 -29.667 -25.757 1.00 55.40 ? 159 THR B CA 1 ? ? +5603 ATOM C CB . THR B 2 158 ? -33.475 -30.534 -24.976 1.00 56.13 ? 159 THR B CB 1 ? ? +5604 ATOM O OG1 . THR B 2 158 ? -33.464 -30.147 -23.612 1.00 56.12 ? 159 THR B OG1 1 ? ? +5605 ATOM C CG2 . THR B 2 158 ? -33.193 -32.010 -25.076 1.00 56.16 ? 159 THR B CG2 1 ? ? +5606 ATOM C C . THR B 2 158 ? -32.930 -28.214 -25.699 1.00 55.75 ? 159 THR B C 1 ? ? +5607 ATOM O O . THR B 2 158 ? -33.872 -27.856 -26.398 1.00 56.40 ? 159 THR B O 1 ? ? +5608 ATOM N N . GLY B 2 159 ? -32.308 -27.396 -24.836 1.00 55.56 ? 160 GLY B N 1 ? ? +5609 ATOM C CA . GLY B 2 159 ? -32.808 -26.055 -24.569 1.00 55.95 ? 160 GLY B CA 1 ? ? +5610 ATOM C C . GLY B 2 159 ? -33.982 -25.958 -23.582 1.00 57.07 ? 160 GLY B C 1 ? ? +5611 ATOM O O . GLY B 2 159 ? -34.423 -24.860 -23.255 1.00 57.27 ? 160 GLY B O 1 ? ? +5612 ATOM N N . LEU B 2 160 ? -34.481 -27.096 -23.087 1.00 57.95 ? 161 LEU B N 1 ? ? +5613 ATOM C CA . LEU B 2 160 ? -35.438 -27.103 -21.989 1.00 59.08 ? 161 LEU B CA 1 ? ? +5614 ATOM C CB . LEU B 2 160 ? -35.600 -28.511 -21.400 1.00 59.68 ? 161 LEU B CB 1 ? ? +5615 ATOM C CG . LEU B 2 160 ? -36.831 -29.297 -21.749 1.00 60.85 ? 161 LEU B CG 1 ? ? +5616 ATOM C CD1 . LEU B 2 160 ? -36.833 -29.772 -23.238 1.00 60.94 ? 161 LEU B CD1 1 ? ? +5617 ATOM C CD2 . LEU B 2 160 ? -36.966 -30.475 -20.784 1.00 61.30 ? 161 LEU B CD2 1 ? ? +5618 ATOM C C . LEU B 2 160 ? -34.994 -26.181 -20.858 1.00 58.89 ? 161 LEU B C 1 ? ? +5619 ATOM O O . LEU B 2 160 ? -35.804 -25.476 -20.274 1.00 59.50 ? 161 LEU B O 1 ? ? +5620 ATOM N N . PHE B 2 161 ? -33.714 -26.260 -20.499 1.00 58.20 ? 162 PHE B N 1 ? ? +5621 ATOM C CA . PHE B 2 161 ? -33.140 -25.387 -19.494 1.00 58.01 ? 162 PHE B CA 1 ? ? +5622 ATOM C CB . PHE B 2 161 ? -33.455 -25.898 -18.074 1.00 58.99 ? 162 PHE B CB 1 ? ? +5623 ATOM C CG . PHE B 2 161 ? -32.966 -24.971 -16.978 1.00 59.41 ? 162 PHE B CG 1 ? ? +5624 ATOM C CD1 . PHE B 2 161 ? -33.257 -23.609 -17.011 1.00 59.81 ? 162 PHE B CD1 1 ? ? +5625 ATOM C CD2 . PHE B 2 161 ? -32.215 -25.459 -15.916 1.00 59.52 ? 162 PHE B CD2 1 ? ? +5626 ATOM C CE1 . PHE B 2 161 ? -32.797 -22.756 -16.012 1.00 59.76 ? 162 PHE B CE1 1 ? ? +5627 ATOM C CE2 . PHE B 2 161 ? -31.770 -24.606 -14.907 1.00 59.48 ? 162 PHE B CE2 1 ? ? +5628 ATOM C CZ . PHE B 2 161 ? -32.054 -23.258 -14.966 1.00 59.59 ? 162 PHE B CZ 1 ? ? +5629 ATOM C C . PHE B 2 161 ? -31.640 -25.272 -19.789 1.00 56.68 ? 162 PHE B C 1 ? ? +5630 ATOM O O . PHE B 2 161 ? -30.822 -26.000 -19.234 1.00 56.01 ? 162 PHE B O 1 ? ? +5631 ATOM N N . GLY B 2 162 ? -31.334 -24.360 -20.717 1.00 56.06 ? 163 GLY B N 1 ? ? +5632 ATOM C CA . GLY B 2 162 ? -30.016 -24.183 -21.286 1.00 55.07 ? 163 GLY B CA 1 ? ? +5633 ATOM C C . GLY B 2 162 ? -30.117 -23.701 -22.729 1.00 54.85 ? 163 GLY B C 1 ? ? +5634 ATOM O O . GLY B 2 162 ? -31.205 -23.658 -23.299 1.00 55.52 ? 163 GLY B O 1 ? ? +5635 ATOM N N . PRO B 2 163 ? -28.978 -23.353 -23.362 1.00 53.98 ? 164 PRO B N 1 ? ? +5636 ATOM C CA . PRO B 2 163 ? -28.971 -22.671 -24.654 1.00 53.79 ? 164 PRO B CA 1 ? ? +5637 ATOM C CB . PRO B 2 163 ? -27.633 -21.935 -24.604 1.00 52.99 ? 164 PRO B CB 1 ? ? +5638 ATOM C CG . PRO B 2 163 ? -26.717 -22.907 -23.858 1.00 52.59 ? 164 PRO B CG 1 ? ? +5639 ATOM C CD . PRO B 2 163 ? -27.621 -23.550 -22.817 1.00 53.23 ? 164 PRO B CD 1 ? ? +5640 ATOM C C . PRO B 2 163 ? -29.005 -23.540 -25.906 1.00 53.86 ? 164 PRO B C 1 ? ? +5641 ATOM O O . PRO B 2 163 ? -29.195 -23.010 -26.994 1.00 53.91 ? 164 PRO B O 1 ? ? +5642 ATOM N N . GLY B 2 164 ? -28.794 -24.854 -25.761 1.00 53.96 ? 165 GLY B N 1 ? ? +5643 ATOM C CA . GLY B 2 164 ? -28.641 -25.738 -26.908 1.00 54.08 ? 165 GLY B CA 1 ? ? +5644 ATOM C C . GLY B 2 164 ? -27.178 -25.874 -27.329 1.00 53.47 ? 165 GLY B C 1 ? ? +5645 ATOM O O . GLY B 2 164 ? -26.295 -25.810 -26.479 1.00 53.08 ? 165 GLY B O 1 ? ? +5646 ATOM N N . MET B 2 165 ? -26.928 -26.071 -28.634 1.00 53.53 ? 166 MET B N 1 ? ? +5647 ATOM C CA . MET B 2 165 ? -25.573 -26.170 -29.157 1.00 53.05 ? 166 MET B CA 1 ? ? +5648 ATOM C CB . MET B 2 165 ? -25.085 -27.626 -29.181 1.00 53.57 ? 166 MET B CB 1 ? ? +5649 ATOM C CG . MET B 2 165 ? -25.815 -28.503 -30.188 1.00 54.61 ? 166 MET B CG 1 ? ? +5650 ATOM S SD . MET B 2 165 ? -25.214 -30.221 -30.103 1.00 55.44 ? 166 MET B SD 1 ? ? +5651 ATOM C CE . MET B 2 165 ? -24.847 -30.488 -31.787 1.00 55.25 ? 166 MET B CE 1 ? ? +5652 ATOM C C . MET B 2 165 ? -25.500 -25.620 -30.576 1.00 52.58 ? 166 MET B C 1 ? ? +5653 ATOM O O . MET B 2 165 ? -26.532 -25.413 -31.202 1.00 52.86 ? 166 MET B O 1 ? ? +5654 ATOM N N . TRP B 2 166 ? -24.265 -25.416 -31.065 1.00 51.61 ? 167 TRP B N 1 ? ? +5655 ATOM C CA . TRP B 2 166 ? -24.003 -24.907 -32.404 1.00 51.22 ? 167 TRP B CA 1 ? ? +5656 ATOM C CB . TRP B 2 166 ? -22.480 -24.626 -32.615 1.00 50.40 ? 167 TRP B CB 1 ? ? +5657 ATOM C CG . TRP B 2 166 ? -22.192 -23.930 -33.911 1.00 50.22 ? 167 TRP B CG 1 ? ? +5658 ATOM C CD1 . TRP B 2 166 ? -22.098 -24.505 -35.141 1.00 50.24 ? 167 TRP B CD1 1 ? ? +5659 ATOM N NE1 . TRP B 2 166 ? -21.863 -23.541 -36.097 1.00 50.08 ? 167 TRP B NE1 1 ? ? +5660 ATOM C CE2 . TRP B 2 166 ? -21.831 -22.313 -35.496 1.00 49.92 ? 167 TRP B CE2 1 ? ? +5661 ATOM C CZ2 . TRP B 2 166 ? -21.662 -21.050 -36.045 1.00 49.79 ? 167 TRP B CZ2 1 ? ? +5662 ATOM C CH2 . TRP B 2 166 ? -21.673 -19.979 -35.190 1.00 49.75 ? 167 TRP B CH2 1 ? ? +5663 ATOM C CZ3 . TRP B 2 166 ? -21.871 -20.140 -33.819 1.00 49.83 ? 167 TRP B CZ3 1 ? ? +5664 ATOM C CE3 . TRP B 2 166 ? -22.055 -21.399 -33.270 1.00 50.01 ? 167 TRP B CE3 1 ? ? +5665 ATOM C CD2 . TRP B 2 166 ? -22.040 -22.515 -34.119 1.00 50.05 ? 167 TRP B CD2 1 ? ? +5666 ATOM C C . TRP B 2 166 ? -24.507 -25.888 -33.459 1.00 51.41 ? 167 TRP B C 1 ? ? +5667 ATOM O O . TRP B 2 166 ? -24.282 -27.092 -33.351 1.00 51.55 ? 167 TRP B O 1 ? ? +5668 ATOM N N . VAL B 2 167 ? -25.212 -25.371 -34.469 1.00 51.49 ? 168 VAL B N 1 ? ? +5669 ATOM C CA . VAL B 2 167 ? -25.696 -26.191 -35.573 1.00 51.71 ? 168 VAL B CA 1 ? ? +5670 ATOM C CB . VAL B 2 167 ? -27.131 -26.806 -35.409 1.00 52.55 ? 168 VAL B CB 1 ? ? +5671 ATOM C CG1 . VAL B 2 167 ? -27.501 -27.050 -33.955 1.00 52.73 ? 168 VAL B CG1 1 ? ? +5672 ATOM C CG2 . VAL B 2 167 ? -28.186 -25.950 -36.078 1.00 53.10 ? 168 VAL B CG2 1 ? ? +5673 ATOM C C . VAL B 2 167 ? -25.610 -25.301 -36.808 1.00 51.53 ? 168 VAL B C 1 ? ? +5674 ATOM O O . VAL B 2 167 ? -25.492 -24.085 -36.684 1.00 51.41 ? 168 VAL B O 1 ? ? +5675 ATOM N N . SER B 2 168 ? -25.678 -25.907 -37.994 1.00 51.57 ? 169 SER B N 1 ? ? +5676 ATOM C CA . SER B 2 168 ? -25.493 -25.145 -39.214 1.00 51.45 ? 169 SER B CA 1 ? ? +5677 ATOM C CB . SER B 2 168 ? -23.997 -24.862 -39.412 1.00 50.57 ? 169 SER B CB 1 ? ? +5678 ATOM O OG . SER B 2 168 ? -23.777 -23.969 -40.485 1.00 50.42 ? 169 SER B OG 1 ? ? +5679 ATOM C C . SER B 2 168 ? -26.044 -25.869 -40.433 1.00 51.94 ? 169 SER B C 1 ? ? +5680 ATOM O O . SER B 2 168 ? -26.269 -27.067 -40.390 1.00 52.13 ? 169 SER B O 1 ? ? +5681 ATOM N N . ASP B 2 169 ? -26.235 -25.134 -41.527 1.00 52.25 ? 170 ASP B N 1 ? ? +5682 ATOM C CA . ASP B 2 169 ? -26.532 -25.737 -42.816 1.00 52.79 ? 170 ASP B CA 1 ? ? +5683 ATOM C CB . ASP B 2 169 ? -26.880 -24.652 -43.829 1.00 53.12 ? 170 ASP B CB 1 ? ? +5684 ATOM C CG . ASP B 2 169 ? -25.676 -23.848 -44.226 1.00 52.63 ? 170 ASP B CG 1 ? ? +5685 ATOM O OD1 . ASP B 2 169 ? -25.249 -22.975 -43.425 1.00 52.26 ? 170 ASP B OD1 1 ? ? +5686 ATOM O OD2 . ASP B 2 169 ? -25.110 -24.129 -45.310 1.00 52.68 ? 170 ASP B OD2 1 ? ? +5687 ATOM C C . ASP B 2 169 ? -25.327 -26.547 -43.297 1.00 52.39 ? 170 ASP B C 1 ? ? +5688 ATOM O O . ASP B 2 169 ? -24.201 -26.370 -42.793 1.00 51.80 ? 170 ASP B O 1 ? ? +5689 ATOM N N . PRO B 2 170 ? -25.499 -27.427 -44.311 1.00 52.76 ? 171 PRO B N 1 ? ? +5690 ATOM C CA . PRO B 2 170 ? -24.419 -28.309 -44.752 1.00 52.35 ? 171 PRO B CA 1 ? ? +5691 ATOM C CB . PRO B 2 170 ? -25.085 -29.163 -45.831 1.00 52.99 ? 171 PRO B CB 1 ? ? +5692 ATOM C CG . PRO B 2 170 ? -26.562 -29.007 -45.615 1.00 53.76 ? 171 PRO B CG 1 ? ? +5693 ATOM C CD . PRO B 2 170 ? -26.739 -27.646 -45.068 1.00 53.63 ? 171 PRO B CD 1 ? ? +5694 ATOM C C . PRO B 2 170 ? -23.183 -27.642 -45.349 1.00 51.71 ? 171 PRO B C 1 ? ? +5695 ATOM O O . PRO B 2 170 ? -22.246 -28.345 -45.699 1.00 51.34 ? 171 PRO B O 1 ? ? +5696 ATOM N N . TYR B 2 171 ? -23.203 -26.310 -45.519 1.00 51.63 ? 172 TYR B N 1 ? ? +5697 ATOM C CA . TYR B 2 171 ? -22.104 -25.576 -46.127 1.00 51.00 ? 172 TYR B CA 1 ? ? +5698 ATOM C CB . TYR B 2 171 ? -22.535 -24.974 -47.479 1.00 51.32 ? 172 TYR B CB 1 ? ? +5699 ATOM C CG . TYR B 2 171 ? -22.875 -26.064 -48.465 1.00 51.71 ? 172 TYR B CG 1 ? ? +5700 ATOM C CD1 . TYR B 2 171 ? -21.875 -26.810 -49.078 1.00 51.32 ? 172 TYR B CD1 1 ? ? +5701 ATOM C CD2 . TYR B 2 171 ? -24.204 -26.412 -48.723 1.00 52.42 ? 172 TYR B CD2 1 ? ? +5702 ATOM C CE1 . TYR B 2 171 ? -22.181 -27.848 -49.947 1.00 51.77 ? 172 TYR B CE1 1 ? ? +5703 ATOM C CE2 . TYR B 2 171 ? -24.522 -27.445 -49.588 1.00 52.80 ? 172 TYR B CE2 1 ? ? +5704 ATOM C CZ . TYR B 2 171 ? -23.510 -28.164 -50.191 1.00 52.54 ? 172 TYR B CZ 1 ? ? +5705 ATOM O OH . TYR B 2 171 ? -23.808 -29.189 -51.032 1.00 53.07 ? 172 TYR B OH 1 ? ? +5706 ATOM C C . TYR B 2 171 ? -21.547 -24.500 -45.201 1.00 50.58 ? 172 TYR B C 1 ? ? +5707 ATOM O O . TYR B 2 171 ? -20.768 -23.654 -45.630 1.00 50.30 ? 172 TYR B O 1 ? ? +5708 ATOM N N . GLY B 2 172 ? -21.905 -24.570 -43.917 1.00 50.59 ? 173 GLY B N 1 ? ? +5709 ATOM C CA . GLY B 2 172 ? -21.329 -23.694 -42.909 1.00 50.04 ? 173 GLY B CA 1 ? ? +5710 ATOM C C . GLY B 2 172 ? -21.534 -22.210 -43.189 1.00 50.03 ? 173 GLY B C 1 ? ? +5711 ATOM O O . GLY B 2 172 ? -20.623 -21.421 -42.984 1.00 49.46 ? 173 GLY B O 1 ? ? +5712 ATOM N N . LEU B 2 173 ? -22.744 -21.851 -43.637 1.00 50.65 ? 174 LEU B N 1 ? ? +5713 ATOM C CA . LEU B 2 173 ? -23.081 -20.474 -43.970 1.00 50.80 ? 174 LEU B CA 1 ? ? +5714 ATOM C CB . LEU B 2 173 ? -23.849 -20.456 -45.303 1.00 51.44 ? 174 LEU B CB 1 ? ? +5715 ATOM C CG . LEU B 2 173 ? -23.030 -20.855 -46.538 1.00 51.27 ? 174 LEU B CG 1 ? ? +5716 ATOM C CD1 . LEU B 2 173 ? -23.838 -20.676 -47.784 1.00 51.93 ? 174 LEU B CD1 1 ? ? +5717 ATOM C CD2 . LEU B 2 173 ? -21.727 -20.048 -46.647 1.00 50.61 ? 174 LEU B CD2 1 ? ? +5718 ATOM C C . LEU B 2 173 ? -23.903 -19.735 -42.909 1.00 50.95 ? 174 LEU B C 1 ? ? +5719 ATOM O O . LEU B 2 173 ? -23.704 -18.539 -42.701 1.00 50.91 ? 174 LEU B O 1 ? ? +5720 ATOM N N . THR B 2 174 ? -24.793 -20.450 -42.215 1.00 51.12 ? 175 THR B N 1 ? ? +5721 ATOM C CA . THR B 2 174 ? -25.784 -19.822 -41.352 1.00 51.37 ? 175 THR B CA 1 ? ? +5722 ATOM C CB . THR B 2 174 ? -27.140 -19.998 -42.017 1.00 52.14 ? 175 THR B CB 1 ? ? +5723 ATOM O OG1 . THR B 2 174 ? -27.374 -21.396 -42.184 1.00 52.28 ? 175 THR B OG1 1 ? ? +5724 ATOM C CG2 . THR B 2 174 ? -27.192 -19.316 -43.354 1.00 52.31 ? 175 THR B CG2 1 ? ? +5725 ATOM C C . THR B 2 174 ? -25.813 -20.392 -39.936 1.00 51.11 ? 175 THR B C 1 ? ? +5726 ATOM O O . THR B 2 174 ? -26.885 -20.529 -39.349 1.00 51.54 ? 175 THR B O 1 ? ? +5727 ATOM N N . GLY B 2 175 ? -24.632 -20.721 -39.400 1.00 50.28 ? 176 GLY B N 1 ? ? +5728 ATOM C CA . GLY B 2 175 ? -24.545 -21.351 -38.095 1.00 50.11 ? 176 GLY B CA 1 ? ? +5729 ATOM C C . GLY B 2 175 ? -25.040 -20.477 -36.938 1.00 50.18 ? 176 GLY B C 1 ? ? +5730 ATOM O O . GLY B 2 175 ? -24.968 -19.254 -36.991 1.00 50.14 ? 176 GLY B O 1 ? ? +5731 ATOM N N . SER B 2 176 ? -25.554 -21.124 -35.888 1.00 50.32 ? 177 SER B N 1 ? ? +5732 ATOM C CA . SER B 2 176 ? -25.980 -20.441 -34.679 1.00 50.33 ? 177 SER B CA 1 ? ? +5733 ATOM C CB . SER B 2 176 ? -27.287 -19.679 -34.902 1.00 51.05 ? 177 SER B CB 1 ? ? +5734 ATOM O OG . SER B 2 176 ? -28.328 -20.562 -35.283 1.00 51.70 ? 177 SER B OG 1 ? ? +5735 ATOM C C . SER B 2 176 ? -26.167 -21.483 -33.583 1.00 50.34 ? 177 SER B C 1 ? ? +5736 ATOM O O . SER B 2 176 ? -26.131 -22.675 -33.855 1.00 50.37 ? 177 SER B O 1 ? ? +5737 ATOM N N . VAL B 2 177 ? -26.346 -21.016 -32.350 1.00 50.31 ? 178 VAL B N 1 ? ? +5738 ATOM C CA . VAL B 2 177 ? -26.753 -21.876 -31.258 1.00 50.56 ? 178 VAL B CA 1 ? ? +5739 ATOM C CB . VAL B 2 177 ? -26.240 -21.311 -29.943 1.00 50.24 ? 178 VAL B CB 1 ? ? +5740 ATOM C CG1 . VAL B 2 177 ? -26.767 -22.115 -28.762 1.00 50.61 ? 178 VAL B CG1 1 ? ? +5741 ATOM C CG2 . VAL B 2 177 ? -24.687 -21.249 -29.941 1.00 49.41 ? 178 VAL B CG2 1 ? ? +5742 ATOM C C . VAL B 2 177 ? -28.277 -22.013 -31.283 1.00 51.46 ? 178 VAL B C 1 ? ? +5743 ATOM O O . VAL B 2 177 ? -28.982 -21.009 -31.316 1.00 51.72 ? 178 VAL B O 1 ? ? +5744 ATOM N N . GLN B 2 178 ? -28.740 -23.270 -31.328 1.00 51.88 ? 179 GLN B N 1 ? ? +5745 ATOM C CA . GLN B 2 178 ? -30.147 -23.623 -31.348 1.00 52.82 ? 179 GLN B CA 1 ? ? +5746 ATOM C CB . GLN B 2 178 ? -30.585 -24.150 -32.728 1.00 53.29 ? 179 GLN B CB 1 ? ? +5747 ATOM C CG . GLN B 2 178 ? -30.518 -23.197 -33.910 1.00 53.29 ? 179 GLN B CG 1 ? ? +5748 ATOM C CD . GLN B 2 178 ? -31.547 -22.082 -33.875 1.00 53.97 ? 179 GLN B CD 1 ? ? +5749 ATOM O OE1 . GLN B 2 178 ? -32.849 -22.277 -33.725 1.00 54.93 ? 179 GLN B OE1 1 ? ? +5750 ATOM N NE2 . GLN B 2 178 ? -31.000 -20.878 -34.071 1.00 53.56 ? 179 GLN B NE2 1 ? ? +5751 ATOM C C . GLN B 2 178 ? -30.412 -24.761 -30.368 1.00 53.02 ? 179 GLN B C 1 ? ? +5752 ATOM O O . GLN B 2 178 ? -29.573 -25.639 -30.194 1.00 52.53 ? 179 GLN B O 1 ? ? +5753 ATOM N N . PRO B 2 179 ? -31.639 -24.856 -29.805 1.00 53.76 ? 180 PRO B N 1 ? ? +5754 ATOM C CA . PRO B 2 179 ? -32.077 -26.081 -29.130 1.00 54.14 ? 180 PRO B CA 1 ? ? +5755 ATOM C CB . PRO B 2 179 ? -33.438 -25.702 -28.575 1.00 55.01 ? 180 PRO B CB 1 ? ? +5756 ATOM C CG . PRO B 2 179 ? -33.923 -24.559 -29.459 1.00 55.19 ? 180 PRO B CG 1 ? ? +5757 ATOM C CD . PRO B 2 179 ? -32.681 -23.817 -29.848 1.00 54.32 ? 180 PRO B CD 1 ? ? +5758 ATOM C C . PRO B 2 179 ? -32.135 -27.230 -30.132 1.00 54.27 ? 180 PRO B C 1 ? ? +5759 ATOM O O . PRO B 2 179 ? -32.405 -26.998 -31.303 1.00 54.36 ? 180 PRO B O 1 ? ? +5760 ATOM N N . VAL B 2 180 ? -31.825 -28.450 -29.685 1.00 54.26 ? 181 VAL B N 1 ? ? +5761 ATOM C CA . VAL B 2 180 ? -31.757 -29.599 -30.571 1.00 54.45 ? 181 VAL B CA 1 ? ? +5762 ATOM C CB . VAL B 2 180 ? -30.310 -30.059 -30.898 1.00 53.59 ? 181 VAL B CB 1 ? ? +5763 ATOM C CG1 . VAL B 2 180 ? -30.315 -31.344 -31.731 1.00 53.80 ? 181 VAL B CG1 1 ? ? +5764 ATOM C CG2 . VAL B 2 180 ? -29.517 -28.955 -31.589 1.00 52.92 ? 181 VAL B CG2 1 ? ? +5765 ATOM C C . VAL B 2 180 ? -32.534 -30.728 -29.912 1.00 55.29 ? 181 VAL B C 1 ? ? +5766 ATOM O O . VAL B 2 180 ? -32.263 -31.069 -28.763 1.00 55.15 ? 181 VAL B O 1 ? ? +5767 ATOM N N . ALA B 2 181 ? -33.520 -31.269 -30.647 1.00 56.21 ? 182 ALA B N 1 ? ? +5768 ATOM C CA . ALA B 2 181 ? -34.347 -32.352 -30.158 1.00 57.12 ? 182 ALA B CA 1 ? ? +5769 ATOM C CB . ALA B 2 181 ? -35.710 -32.349 -30.845 1.00 58.05 ? 182 ALA B CB 1 ? ? +5770 ATOM C C . ALA B 2 181 ? -33.624 -33.669 -30.419 1.00 57.08 ? 182 ALA B C 1 ? ? +5771 ATOM O O . ALA B 2 181 ? -32.954 -33.821 -31.441 1.00 56.69 ? 182 ALA B O 1 ? ? +5772 ATOM N N . PRO B 2 182 ? -33.769 -34.672 -29.528 1.00 57.70 ? 183 PRO B N 1 ? ? +5773 ATOM C CA . PRO B 2 182 ? -33.102 -35.957 -29.727 1.00 57.69 ? 183 PRO B CA 1 ? ? +5774 ATOM C CB . PRO B 2 182 ? -33.487 -36.769 -28.474 1.00 58.23 ? 183 PRO B CB 1 ? ? +5775 ATOM C CG . PRO B 2 182 ? -34.246 -35.829 -27.550 1.00 58.50 ? 183 PRO B CG 1 ? ? +5776 ATOM C CD . PRO B 2 182 ? -34.638 -34.630 -28.335 1.00 58.42 ? 183 PRO B CD 1 ? ? +5777 ATOM C C . PRO B 2 182 ? -33.605 -36.668 -30.978 1.00 58.37 ? 183 PRO B C 1 ? ? +5778 ATOM O O . PRO B 2 182 ? -34.789 -36.565 -31.319 1.00 59.14 ? 183 PRO B O 1 ? ? +5779 ATOM N N . GLU B 2 183 ? -32.709 -37.425 -31.617 1.00 58.07 ? 184 GLU B N 1 ? ? +5780 ATOM C CA . GLU B 2 183 ? -33.085 -38.342 -32.683 1.00 58.73 ? 184 GLU B CA 1 ? ? +5781 ATOM C CB . GLU B 2 183 ? -32.151 -38.141 -33.893 1.00 58.15 ? 184 GLU B CB 1 ? ? +5782 ATOM C CG . GLU B 2 183 ? -32.329 -39.127 -35.044 1.00 58.54 ? 184 GLU B CG 1 ? ? +5783 ATOM C CD . GLU B 2 183 ? -33.733 -39.209 -35.598 1.00 59.55 ? 184 GLU B CD 1 ? ? +5784 ATOM O OE1 . GLU B 2 183 ? -34.324 -38.129 -35.823 1.00 59.66 ? 184 GLU B OE1 1 ? ? +5785 ATOM O OE2 . GLU B 2 183 ? -34.219 -40.341 -35.836 1.00 60.23 ? 184 GLU B OE2 1 ? ? +5786 ATOM C C . GLU B 2 183 ? -33.032 -39.770 -32.139 1.00 59.22 ? 184 GLU B C 1 ? ? +5787 ATOM O O . GLU B 2 183 ? -31.963 -40.284 -31.803 1.00 58.67 ? 184 GLU B O 1 ? ? +5788 ATOM N N . TRP B 2 184 ? -34.205 -40.406 -32.051 1.00 60.39 ? 185 TRP B N 1 ? ? +5789 ATOM C CA . TRP B 2 184 ? -34.332 -41.731 -31.465 1.00 61.05 ? 185 TRP B CA 1 ? ? +5790 ATOM C CB . TRP B 2 184 ? -35.617 -41.810 -30.634 1.00 62.04 ? 185 TRP B CB 1 ? ? +5791 ATOM C CG . TRP B 2 184 ? -35.583 -40.895 -29.449 1.00 61.87 ? 185 TRP B CG 1 ? ? +5792 ATOM C CD1 . TRP B 2 184 ? -36.400 -39.833 -29.212 1.00 62.20 ? 185 TRP B CD1 1 ? ? +5793 ATOM N NE1 . TRP B 2 184 ? -36.059 -39.228 -28.026 1.00 61.86 ? 185 TRP B NE1 1 ? ? +5794 ATOM C CE2 . TRP B 2 184 ? -34.993 -39.893 -27.476 1.00 61.39 ? 185 TRP B CE2 1 ? ? +5795 ATOM C CZ2 . TRP B 2 184 ? -34.282 -39.652 -26.294 1.00 60.96 ? 185 TRP B CZ2 1 ? ? +5796 ATOM C CH2 . TRP B 2 184 ? -33.231 -40.487 -26.005 1.00 60.48 ? 185 TRP B CH2 1 ? ? +5797 ATOM C CZ3 . TRP B 2 184 ? -32.900 -41.555 -26.841 1.00 60.49 ? 185 TRP B CZ3 1 ? ? +5798 ATOM C CE3 . TRP B 2 184 ? -33.587 -41.785 -28.016 1.00 60.92 ? 185 TRP B CE3 1 ? ? +5799 ATOM C CD2 . TRP B 2 184 ? -34.664 -40.949 -28.348 1.00 61.39 ? 185 TRP B CD2 1 ? ? +5800 ATOM C C . TRP B 2 184 ? -34.268 -42.844 -32.509 1.00 61.45 ? 185 TRP B C 1 ? ? +5801 ATOM O O . TRP B 2 184 ? -34.192 -44.016 -32.155 1.00 61.80 ? 185 TRP B O 1 ? ? +5802 ATOM N N . GLY B 2 185 ? -34.248 -42.464 -33.790 1.00 61.54 ? 186 GLY B N 1 ? ? +5803 ATOM C CA . GLY B 2 185 ? -34.135 -43.422 -34.874 1.00 61.94 ? 186 GLY B CA 1 ? ? +5804 ATOM C C . GLY B 2 185 ? -32.689 -43.769 -35.219 1.00 61.45 ? 186 GLY B C 1 ? ? +5805 ATOM O O . GLY B 2 185 ? -31.740 -43.340 -34.536 1.00 60.60 ? 186 GLY B O 1 ? ? +5806 ATOM N N . PRO B 2 186 ? -32.493 -44.575 -36.290 1.00 61.72 ? 187 PRO B N 1 ? ? +5807 ATOM C CA . PRO B 2 186 ? -31.163 -45.051 -36.670 1.00 60.98 ? 187 PRO B CA 1 ? ? +5808 ATOM C CB . PRO B 2 186 ? -31.480 -46.100 -37.755 1.00 61.58 ? 187 PRO B CB 1 ? ? +5809 ATOM C CG . PRO B 2 186 ? -32.814 -45.742 -38.274 1.00 62.38 ? 187 PRO B CG 1 ? ? +5810 ATOM C CD . PRO B 2 186 ? -33.557 -45.111 -37.155 1.00 62.64 ? 187 PRO B CD 1 ? ? +5811 ATOM C C . PRO B 2 186 ? -30.208 -43.968 -37.169 1.00 60.04 ? 187 PRO B C 1 ? ? +5812 ATOM O O . PRO B 2 186 ? -28.999 -44.171 -37.158 1.00 59.42 ? 187 PRO B O 1 ? ? +5813 ATOM N N . ASP B 2 187 ? -30.750 -42.817 -37.591 1.00 60.07 ? 188 ASP B N 1 ? ? +5814 ATOM C CA . ASP B 2 187 ? -29.928 -41.696 -38.021 1.00 59.20 ? 188 ASP B CA 1 ? ? +5815 ATOM C CB . ASP B 2 187 ? -30.720 -40.712 -38.901 1.00 59.61 ? 188 ASP B CB 1 ? ? +5816 ATOM C CG . ASP B 2 187 ? -29.849 -39.771 -39.709 1.00 58.98 ? 188 ASP B CG 1 ? ? +5817 ATOM O OD1 . ASP B 2 187 ? -29.059 -40.252 -40.525 1.00 58.84 ? 188 ASP B OD1 1 ? ? +5818 ATOM O OD2 . ASP B 2 187 ? -29.950 -38.549 -39.514 1.00 58.85 ? 188 ASP B OD2 1 ? ? +5819 ATOM C C . ASP B 2 187 ? -29.329 -40.979 -36.808 1.00 58.39 ? 188 ASP B C 1 ? ? +5820 ATOM O O . ASP B 2 187 ? -28.445 -40.139 -36.944 1.00 57.47 ? 188 ASP B O 1 ? ? +5821 ATOM N N . GLY B 2 188 ? -29.811 -41.325 -35.608 1.00 58.55 ? 189 GLY B N 1 ? ? +5822 ATOM C CA . GLY B 2 188 ? -29.187 -40.866 -34.380 1.00 57.76 ? 189 GLY B CA 1 ? ? +5823 ATOM C C . GLY B 2 188 ? -27.729 -41.299 -34.274 1.00 56.80 ? 189 GLY B C 1 ? ? +5824 ATOM O O . GLY B 2 188 ? -26.977 -40.699 -33.523 1.00 56.04 ? 189 GLY B O 1 ? ? +5825 ATOM N N . PHE B 2 189 ? -27.351 -42.355 -35.003 1.00 56.74 ? 190 PHE B N 1 ? ? +5826 ATOM C CA . PHE B 2 189 ? -25.978 -42.837 -35.011 1.00 56.05 ? 190 PHE B CA 1 ? ? +5827 ATOM C CB . PHE B 2 189 ? -25.959 -44.373 -34.992 1.00 56.45 ? 190 PHE B CB 1 ? ? +5828 ATOM C CG . PHE B 2 189 ? -26.660 -44.881 -33.762 1.00 57.01 ? 190 PHE B CG 1 ? ? +5829 ATOM C CD1 . PHE B 2 189 ? -26.021 -44.882 -32.536 1.00 56.61 ? 190 PHE B CD1 1 ? ? +5830 ATOM C CD2 . PHE B 2 189 ? -27.990 -45.277 -33.816 1.00 57.97 ? 190 PHE B CD2 1 ? ? +5831 ATOM C CE1 . PHE B 2 189 ? -26.671 -45.320 -31.399 1.00 57.25 ? 190 PHE B CE1 1 ? ? +5832 ATOM C CE2 . PHE B 2 189 ? -28.649 -45.699 -32.675 1.00 58.59 ? 190 PHE B CE2 1 ? ? +5833 ATOM C CZ . PHE B 2 189 ? -27.996 -45.718 -31.473 1.00 58.31 ? 190 PHE B CZ 1 ? ? +5834 ATOM C C . PHE B 2 189 ? -25.191 -42.274 -36.191 1.00 55.36 ? 190 PHE B C 1 ? ? +5835 ATOM O O . PHE B 2 189 ? -24.057 -42.669 -36.402 1.00 54.94 ? 190 PHE B O 1 ? ? +5836 ATOM N N . ASN B 2 190 ? -25.799 -41.339 -36.932 1.00 55.32 ? 191 ASN B N 1 ? ? +5837 ATOM C CA . ASN B 2 190 ? -25.123 -40.584 -37.970 1.00 54.57 ? 191 ASN B CA 1 ? ? +5838 ATOM C CB . ASN B 2 190 ? -26.143 -39.965 -38.957 1.00 55.14 ? 191 ASN B CB 1 ? ? +5839 ATOM C CG . ASN B 2 190 ? -25.536 -39.206 -40.119 1.00 54.71 ? 191 ASN B CG 1 ? ? +5840 ATOM O OD1 . ASN B 2 190 ? -24.323 -38.888 -40.162 1.00 53.87 ? 191 ASN B OD1 1 ? ? +5841 ATOM N ND2 . ASN B 2 190 ? -26.389 -38.867 -41.083 1.00 55.14 ? 191 ASN B ND2 1 ? ? +5842 ATOM C C . ASN B 2 190 ? -24.275 -39.508 -37.303 1.00 53.61 ? 191 ASN B C 1 ? ? +5843 ATOM O O . ASN B 2 190 ? -24.798 -38.642 -36.597 1.00 53.48 ? 191 ASN B O 1 ? ? +5844 ATOM N N . PRO B 2 191 ? -22.939 -39.511 -37.534 1.00 52.73 ? 192 PRO B N 1 ? ? +5845 ATOM C CA . PRO B 2 191 ? -22.052 -38.565 -36.864 1.00 51.95 ? 192 PRO B CA 1 ? ? +5846 ATOM C CB . PRO B 2 191 ? -20.655 -38.964 -37.379 1.00 51.38 ? 192 PRO B CB 1 ? ? +5847 ATOM C CG . PRO B 2 191 ? -20.895 -39.688 -38.660 1.00 51.72 ? 192 PRO B CG 1 ? ? +5848 ATOM C CD . PRO B 2 191 ? -22.232 -40.375 -38.495 1.00 52.58 ? 192 PRO B CD 1 ? ? +5849 ATOM C C . PRO B 2 191 ? -22.410 -37.111 -37.170 1.00 51.82 ? 192 PRO B C 1 ? ? +5850 ATOM O O . PRO B 2 191 ? -22.126 -36.227 -36.361 1.00 51.44 ? 192 PRO B O 1 ? ? +5851 ATOM N N . TYR B 2 192 ? -23.048 -36.876 -38.329 1.00 52.16 ? 193 TYR B N 1 ? ? +5852 ATOM C CA . TYR B 2 192 ? -23.460 -35.544 -38.740 1.00 52.17 ? 193 TYR B CA 1 ? ? +5853 ATOM C CB . TYR B 2 192 ? -23.331 -35.400 -40.265 1.00 52.25 ? 193 TYR B CB 1 ? ? +5854 ATOM C CG . TYR B 2 192 ? -21.921 -35.624 -40.745 1.00 51.77 ? 193 TYR B CG 1 ? ? +5855 ATOM C CD1 . TYR B 2 192 ? -20.923 -34.698 -40.491 1.00 51.08 ? 193 TYR B CD1 1 ? ? +5856 ATOM C CD2 . TYR B 2 192 ? -21.560 -36.807 -41.370 1.00 51.96 ? 193 TYR B CD2 1 ? ? +5857 ATOM C CE1 . TYR B 2 192 ? -19.621 -34.919 -40.893 1.00 50.56 ? 193 TYR B CE1 1 ? ? +5858 ATOM C CE2 . TYR B 2 192 ? -20.254 -37.041 -41.769 1.00 51.34 ? 193 TYR B CE2 1 ? ? +5859 ATOM C CZ . TYR B 2 192 ? -19.288 -36.099 -41.520 1.00 50.69 ? 193 TYR B CZ 1 ? ? +5860 ATOM O OH . TYR B 2 192 ? -17.999 -36.317 -41.925 1.00 50.21 ? 193 TYR B OH 1 ? ? +5861 ATOM C C . TYR B 2 192 ? -24.883 -35.165 -38.326 1.00 52.77 ? 193 TYR B C 1 ? ? +5862 ATOM O O . TYR B 2 192 ? -25.334 -34.075 -38.658 1.00 53.04 ? 193 TYR B O 1 ? ? +5863 ATOM N N . ASN B 2 193 ? -25.601 -36.044 -37.620 1.00 53.11 ? 194 ASN B N 1 ? ? +5864 ATOM C CA . ASN B 2 193 ? -26.913 -35.668 -37.098 1.00 53.58 ? 194 ASN B CA 1 ? ? +5865 ATOM C CB . ASN B 2 193 ? -27.854 -36.830 -37.102 1.00 54.38 ? 194 ASN B CB 1 ? ? +5866 ATOM C CG . ASN B 2 193 ? -29.265 -36.399 -36.857 1.00 55.21 ? 194 ASN B CG 1 ? ? +5867 ATOM O OD1 . ASN B 2 193 ? -29.562 -35.486 -36.052 1.00 55.22 ? 194 ASN B OD1 1 ? ? +5868 ATOM N ND2 . ASN B 2 193 ? -30.164 -37.026 -37.569 1.00 55.94 ? 194 ASN B ND2 1 ? ? +5869 ATOM C C . ASN B 2 193 ? -26.769 -35.129 -35.676 1.00 53.16 ? 194 ASN B C 1 ? ? +5870 ATOM O O . ASN B 2 193 ? -26.433 -35.877 -34.758 1.00 53.12 ? 194 ASN B O 1 ? ? +5871 ATOM N N . PRO B 2 194 ? -26.983 -33.819 -35.435 1.00 52.82 ? 195 PRO B N 1 ? ? +5872 ATOM C CA . PRO B 2 194 ? -26.857 -33.264 -34.085 1.00 52.53 ? 195 PRO B CA 1 ? ? +5873 ATOM C CB . PRO B 2 194 ? -27.152 -31.766 -34.280 1.00 52.47 ? 195 PRO B CB 1 ? ? +5874 ATOM C CG . PRO B 2 194 ? -27.107 -31.523 -35.742 1.00 52.47 ? 195 PRO B CG 1 ? ? +5875 ATOM C CD . PRO B 2 194 ? -27.378 -32.819 -36.434 1.00 52.89 ? 195 PRO B CD 1 ? ? +5876 ATOM C C . PRO B 2 194 ? -27.833 -33.869 -33.074 1.00 53.07 ? 195 PRO B C 1 ? ? +5877 ATOM O O . PRO B 2 194 ? -27.501 -34.006 -31.895 1.00 52.86 ? 195 PRO B O 1 ? ? +5878 ATOM N N . GLY B 2 195 ? -29.050 -34.204 -33.534 1.00 53.73 ? 196 GLY B N 1 ? ? +5879 ATOM C CA . GLY B 2 195 ? -30.031 -34.846 -32.674 1.00 54.36 ? 196 GLY B CA 1 ? ? +5880 ATOM C C . GLY B 2 195 ? -29.541 -36.142 -32.027 1.00 54.23 ? 196 GLY B C 1 ? ? +5881 ATOM O O . GLY B 2 195 ? -29.949 -36.482 -30.920 1.00 54.53 ? 196 GLY B O 1 ? ? +5882 ATOM N N . GLY B 2 196 ? -28.681 -36.872 -32.745 1.00 53.77 ? 197 GLY B N 1 ? ? +5883 ATOM C CA . GLY B 2 196 ? -27.991 -38.033 -32.200 1.00 53.55 ? 197 GLY B CA 1 ? ? +5884 ATOM C C . GLY B 2 196 ? -27.125 -37.733 -30.974 1.00 52.89 ? 197 GLY B C 1 ? ? +5885 ATOM O O . GLY B 2 196 ? -27.006 -38.561 -30.074 1.00 52.97 ? 197 GLY B O 1 ? ? +5886 ATOM N N . VAL B 2 197 ? -26.539 -36.535 -30.944 1.00 52.24 ? 198 VAL B N 1 ? ? +5887 ATOM C CA . VAL B 2 197 ? -25.725 -36.109 -29.814 1.00 51.69 ? 198 VAL B CA 1 ? ? +5888 ATOM C CB . VAL B 2 197 ? -24.940 -34.835 -30.134 1.00 50.98 ? 198 VAL B CB 1 ? ? +5889 ATOM C CG1 . VAL B 2 197 ? -24.170 -34.326 -28.925 1.00 50.51 ? 198 VAL B CG1 1 ? ? +5890 ATOM C CG2 . VAL B 2 197 ? -24.014 -35.065 -31.305 1.00 50.52 ? 198 VAL B CG2 1 ? ? +5891 ATOM C C . VAL B 2 197 ? -26.612 -35.917 -28.584 1.00 52.15 ? 198 VAL B C 1 ? ? +5892 ATOM O O . VAL B 2 197 ? -26.237 -36.285 -27.474 1.00 52.08 ? 198 VAL B O 1 ? ? +5893 ATOM N N . VAL B 2 198 ? -27.797 -35.342 -28.783 1.00 52.61 ? 199 VAL B N 1 ? ? +5894 ATOM C CA . VAL B 2 198 ? -28.721 -35.171 -27.678 1.00 53.10 ? 199 VAL B CA 1 ? ? +5895 ATOM C CB . VAL B 2 198 ? -29.914 -34.295 -28.104 1.00 53.65 ? 199 VAL B CB 1 ? ? +5896 ATOM C CG1 . VAL B 2 198 ? -30.948 -34.170 -26.978 1.00 54.33 ? 199 VAL B CG1 1 ? ? +5897 ATOM C CG2 . VAL B 2 198 ? -29.437 -32.923 -28.561 1.00 53.06 ? 199 VAL B CG2 1 ? ? +5898 ATOM C C . VAL B 2 198 ? -29.148 -36.544 -27.161 1.00 53.61 ? 199 VAL B C 1 ? ? +5899 ATOM O O . VAL B 2 198 ? -29.136 -36.793 -25.951 1.00 53.71 ? 199 VAL B O 1 ? ? +5900 ATOM N N . ALA B 2 199 ? -29.547 -37.427 -28.091 1.00 53.94 ? 200 ALA B N 1 ? ? +5901 ATOM C CA . ALA B 2 199 ? -30.059 -38.743 -27.740 1.00 54.52 ? 200 ALA B CA 1 ? ? +5902 ATOM C CB . ALA B 2 199 ? -30.485 -39.488 -28.975 1.00 54.91 ? 200 ALA B CB 1 ? ? +5903 ATOM C C . ALA B 2 199 ? -29.010 -39.544 -26.977 1.00 54.09 ? 200 ALA B C 1 ? ? +5904 ATOM O O . ALA B 2 199 ? -29.346 -40.226 -26.005 1.00 54.54 ? 200 ALA B O 1 ? ? +5905 ATOM N N . HIS B 2 200 ? -27.742 -39.429 -27.436 1.00 53.27 ? 201 HIS B N 1 ? ? +5906 ATOM C CA . HIS B 2 200 ? -26.625 -40.121 -26.819 1.00 52.83 ? 201 HIS B CA 1 ? ? +5907 ATOM C CB . HIS B 2 200 ? -25.262 -39.773 -27.452 1.00 51.93 ? 201 HIS B CB 1 ? ? +5908 ATOM C CG . HIS B 2 200 ? -24.118 -40.178 -26.569 1.00 51.46 ? 201 HIS B CG 1 ? ? +5909 ATOM N ND1 . HIS B 2 200 ? -23.672 -41.473 -26.516 1.00 51.58 ? 201 HIS B ND1 1 ? ? +5910 ATOM C CE1 . HIS B 2 200 ? -22.701 -41.484 -25.610 1.00 51.16 ? 201 HIS B CE1 1 ? ? +5911 ATOM N NE2 . HIS B 2 200 ? -22.550 -40.282 -25.048 1.00 50.79 ? 201 HIS B NE2 1 ? ? +5912 ATOM C CD2 . HIS B 2 200 ? -23.429 -39.444 -25.662 1.00 50.97 ? 201 HIS B CD2 1 ? ? +5913 ATOM C C . HIS B 2 200 ? -26.521 -39.820 -25.334 1.00 52.80 ? 201 HIS B C 1 ? ? +5914 ATOM O O . HIS B 2 200 ? -26.417 -40.738 -24.538 1.00 53.05 ? 201 HIS B O 1 ? ? +5915 ATOM N N . HIS B 2 201 ? -26.506 -38.536 -24.979 1.00 52.49 ? 202 HIS B N 1 ? ? +5916 ATOM C CA . HIS B 2 201 ? -26.325 -38.137 -23.596 1.00 52.41 ? 202 HIS B CA 1 ? ? +5917 ATOM C CB . HIS B 2 201 ? -26.041 -36.647 -23.540 1.00 51.89 ? 202 HIS B CB 1 ? ? +5918 ATOM C CG . HIS B 2 201 ? -24.723 -36.315 -24.175 1.00 51.03 ? 202 HIS B CG 1 ? ? +5919 ATOM N ND1 . HIS B 2 201 ? -23.501 -36.655 -23.569 1.00 50.51 ? 202 HIS B ND1 1 ? ? +5920 ATOM C CE1 . HIS B 2 201 ? -22.580 -36.261 -24.403 1.00 49.87 ? 202 HIS B CE1 1 ? ? +5921 ATOM N NE2 . HIS B 2 201 ? -23.085 -35.702 -25.483 1.00 49.93 ? 202 HIS B NE2 1 ? ? +5922 ATOM C CD2 . HIS B 2 201 ? -24.455 -35.727 -25.357 1.00 50.67 ? 202 HIS B CD2 1 ? ? +5923 ATOM C C . HIS B 2 201 ? -27.504 -38.543 -22.708 1.00 53.27 ? 202 HIS B C 1 ? ? +5924 ATOM O O . HIS B 2 201 ? -27.279 -39.022 -21.593 1.00 53.38 ? 202 HIS B O 1 ? ? +5925 ATOM N N . ILE B 2 202 ? -28.747 -38.385 -23.206 1.00 53.92 ? 203 ILE B N 1 ? ? +5926 ATOM C CA . ILE B 2 202 ? -29.909 -38.831 -22.452 1.00 54.82 ? 203 ILE B CA 1 ? ? +5927 ATOM C CB . ILE B 2 202 ? -31.264 -38.481 -23.160 1.00 55.51 ? 203 ILE B CB 1 ? ? +5928 ATOM C CG1 . ILE B 2 202 ? -31.541 -36.973 -23.129 1.00 55.31 ? 203 ILE B CG1 1 ? ? +5929 ATOM C CG2 . ILE B 2 202 ? -32.479 -39.234 -22.544 1.00 56.55 ? 203 ILE B CG2 1 ? ? +5930 ATOM C CD1 . ILE B 2 202 ? -32.441 -36.498 -24.202 1.00 55.69 ? 203 ILE B CD1 1 ? ? +5931 ATOM C C . ILE B 2 202 ? -29.790 -40.325 -22.162 1.00 55.17 ? 203 ILE B C 1 ? ? +5932 ATOM O O . ILE B 2 202 ? -29.823 -40.727 -21.005 1.00 55.43 ? 203 ILE B O 1 ? ? +5933 ATOM N N . ALA B 2 203 ? -29.641 -41.139 -23.214 1.00 55.20 ? 204 ALA B N 1 ? ? +5934 ATOM C CA . ALA B 2 203 ? -29.647 -42.589 -23.078 1.00 55.64 ? 204 ALA B CA 1 ? ? +5935 ATOM C CB . ALA B 2 203 ? -29.721 -43.243 -24.438 1.00 55.74 ? 204 ALA B CB 1 ? ? +5936 ATOM C C . ALA B 2 203 ? -28.434 -43.128 -22.328 1.00 55.20 ? 204 ALA B C 1 ? ? +5937 ATOM O O . ALA B 2 203 ? -28.577 -43.977 -21.459 1.00 55.63 ? 204 ALA B O 1 ? ? +5938 ATOM N N . ALA B 2 204 ? -27.232 -42.643 -22.681 1.00 54.43 ? 205 ALA B N 1 ? ? +5939 ATOM C CA . ALA B 2 204 ? -26.011 -43.086 -22.021 1.00 54.06 ? 205 ALA B CA 1 ? ? +5940 ATOM C CB . ALA B 2 204 ? -24.776 -42.535 -22.704 1.00 53.12 ? 205 ALA B CB 1 ? ? +5941 ATOM C C . ALA B 2 204 ? -26.016 -42.681 -20.550 1.00 54.26 ? 205 ALA B C 1 ? ? +5942 ATOM O O . ALA B 2 204 ? -25.507 -43.416 -19.702 1.00 54.38 ? 205 ALA B O 1 ? ? +5943 ATOM N N . GLY B 2 205 ? -26.587 -41.504 -20.266 1.00 54.42 ? 206 GLY B N 1 ? ? +5944 ATOM C CA . GLY B 2 205 ? -26.759 -41.063 -18.894 1.00 54.70 ? 206 GLY B CA 1 ? ? +5945 ATOM C C . GLY B 2 205 ? -27.610 -42.015 -18.053 1.00 55.72 ? 206 GLY B C 1 ? ? +5946 ATOM O O . GLY B 2 205 ? -27.247 -42.348 -16.930 1.00 55.80 ? 206 GLY B O 1 ? ? +5947 ATOM N N . ILE B 2 206 ? -28.752 -42.444 -18.596 1.00 56.60 ? 207 ILE B N 1 ? ? +5948 ATOM C CA . ILE B 2 206 ? -29.630 -43.354 -17.876 1.00 57.66 ? 207 ILE B CA 1 ? ? +5949 ATOM C CB . ILE B 2 206 ? -30.938 -43.596 -18.664 1.00 58.49 ? 207 ILE B CB 1 ? ? +5950 ATOM C CG1 . ILE B 2 206 ? -31.788 -42.329 -18.650 1.00 58.71 ? 207 ILE B CG1 1 ? ? +5951 ATOM C CG2 . ILE B 2 206 ? -31.720 -44.810 -18.123 1.00 59.46 ? 207 ILE B CG2 1 ? ? +5952 ATOM C CD1 . ILE B 2 206 ? -32.736 -42.271 -19.746 1.00 59.22 ? 207 ILE B CD1 1 ? ? +5953 ATOM C C . ILE B 2 206 ? -28.906 -44.665 -17.594 1.00 57.76 ? 207 ILE B C 1 ? ? +5954 ATOM O O . ILE B 2 206 ? -28.998 -45.207 -16.497 1.00 58.18 ? 207 ILE B O 1 ? ? +5955 ATOM N N . VAL B 2 207 ? -28.192 -45.167 -18.605 1.00 57.46 ? 208 VAL B N 1 ? ? +5956 ATOM C CA . VAL B 2 207 ? -27.431 -46.395 -18.459 1.00 57.52 ? 208 VAL B CA 1 ? ? +5957 ATOM C CB . VAL B 2 207 ? -26.863 -46.862 -19.819 1.00 57.16 ? 208 VAL B CB 1 ? ? +5958 ATOM C CG1 . VAL B 2 207 ? -25.718 -47.849 -19.647 1.00 56.89 ? 208 VAL B CG1 1 ? ? +5959 ATOM C CG2 . VAL B 2 207 ? -27.971 -47.463 -20.684 1.00 57.90 ? 208 VAL B CG2 1 ? ? +5960 ATOM C C . VAL B 2 207 ? -26.359 -46.183 -17.394 1.00 57.06 ? 208 VAL B C 1 ? ? +5961 ATOM O O . VAL B 2 207 ? -26.079 -47.081 -16.611 1.00 57.35 ? 208 VAL B O 1 ? ? +5962 ATOM N N . GLY B 2 208 ? -25.798 -44.976 -17.341 1.00 56.43 ? 209 GLY B N 1 ? ? +5963 ATOM C CA . GLY B 2 208 ? -24.801 -44.643 -16.337 1.00 56.01 ? 209 GLY B CA 1 ? ? +5964 ATOM C C . GLY B 2 208 ? -25.356 -44.677 -14.915 1.00 56.61 ? 209 GLY B C 1 ? ? +5965 ATOM O O . GLY B 2 208 ? -24.681 -45.118 -13.982 1.00 56.56 ? 209 GLY B O 1 ? ? +5966 ATOM N N . ILE B 2 209 ? -26.592 -44.192 -14.763 1.00 57.21 ? 210 ILE B N 1 ? ? +5967 ATOM C CA . ILE B 2 209 ? -27.264 -44.217 -13.477 1.00 57.83 ? 210 ILE B CA 1 ? ? +5968 ATOM C CB . ILE B 2 209 ? -28.598 -43.452 -13.565 1.00 58.43 ? 210 ILE B CB 1 ? ? +5969 ATOM C CG1 . ILE B 2 209 ? -28.314 -41.949 -13.741 1.00 57.81 ? 210 ILE B CG1 1 ? ? +5970 ATOM C CG2 . ILE B 2 209 ? -29.548 -43.722 -12.348 1.00 59.34 ? 210 ILE B CG2 1 ? ? +5971 ATOM C CD1 . ILE B 2 209 ? -29.559 -41.125 -14.164 1.00 58.28 ? 210 ILE B CD1 1 ? ? +5972 ATOM C C . ILE B 2 209 ? -27.397 -45.677 -13.061 1.00 58.46 ? 210 ILE B C 1 ? ? +5973 ATOM O O . ILE B 2 209 ? -27.006 -46.052 -11.959 1.00 58.56 ? 210 ILE B O 1 ? ? +5974 ATOM N N . ILE B 2 210 ? -27.919 -46.507 -13.971 1.00 58.90 ? 211 ILE B N 1 ? ? +5975 ATOM C CA . ILE B 2 210 ? -28.257 -47.884 -13.647 1.00 59.62 ? 211 ILE B CA 1 ? ? +5976 ATOM C CB . ILE B 2 210 ? -29.069 -48.530 -14.809 1.00 60.18 ? 211 ILE B CB 1 ? ? +5977 ATOM C CG1 . ILE B 2 210 ? -30.448 -47.857 -14.969 1.00 60.79 ? 211 ILE B CG1 1 ? ? +5978 ATOM C CG2 . ILE B 2 210 ? -29.222 -50.048 -14.629 1.00 60.90 ? 211 ILE B CG2 1 ? ? +5979 ATOM C CD1 . ILE B 2 210 ? -31.242 -48.332 -16.243 1.00 61.24 ? 211 ILE B CD1 1 ? ? +5980 ATOM C C . ILE B 2 210 ? -26.984 -48.655 -13.303 1.00 59.10 ? 211 ILE B C 1 ? ? +5981 ATOM O O . ILE B 2 210 ? -26.882 -49.268 -12.246 1.00 59.40 ? 211 ILE B O 1 ? ? +5982 ATOM N N . ALA B 2 211 ? -26.006 -48.591 -14.204 1.00 58.32 ? 212 ALA B N 1 ? ? +5983 ATOM C CA . ALA B 2 211 ? -24.688 -49.168 -13.968 1.00 57.82 ? 212 ALA B CA 1 ? ? +5984 ATOM C CB . ALA B 2 211 ? -23.786 -48.876 -15.137 1.00 56.99 ? 212 ALA B CB 1 ? ? +5985 ATOM C C . ALA B 2 211 ? -24.056 -48.666 -12.672 1.00 57.53 ? 212 ALA B C 1 ? ? +5986 ATOM O O . ALA B 2 211 ? -23.538 -49.455 -11.890 1.00 57.61 ? 212 ALA B O 1 ? ? +5987 ATOM N N . GLY B 2 212 ? -24.134 -47.351 -12.445 1.00 57.25 ? 213 GLY B N 1 ? ? +5988 ATOM C CA . GLY B 2 212 ? -23.748 -46.761 -11.174 1.00 57.22 ? 213 GLY B CA 1 ? ? +5989 ATOM C C . GLY B 2 212 ? -24.343 -47.492 -9.974 1.00 58.28 ? 213 GLY B C 1 ? ? +5990 ATOM O O . GLY B 2 212 ? -23.602 -48.029 -9.155 1.00 58.28 ? 213 GLY B O 1 ? ? +5991 ATOM N N . LEU B 2 213 ? -25.687 -47.518 -9.897 1.00 59.25 ? 214 LEU B N 1 ? ? +5992 ATOM C CA . LEU B 2 213 ? -26.384 -48.188 -8.818 1.00 60.32 ? 214 LEU B CA 1 ? ? +5993 ATOM C CB . LEU B 2 213 ? -27.919 -48.163 -9.055 1.00 61.30 ? 214 LEU B CB 1 ? ? +5994 ATOM C CG . LEU B 2 213 ? -28.633 -46.873 -8.650 1.00 61.50 ? 214 LEU B CG 1 ? ? +5995 ATOM C CD1 . LEU B 2 213 ? -30.134 -46.931 -8.975 1.00 62.42 ? 214 LEU B CD1 1 ? ? +5996 ATOM C CD2 . LEU B 2 213 ? -28.501 -46.611 -7.152 1.00 61.78 ? 214 LEU B CD2 1 ? ? +5997 ATOM C C . LEU B 2 213 ? -25.904 -49.631 -8.673 1.00 60.67 ? 214 LEU B C 1 ? ? +5998 ATOM O O . LEU B 2 213 ? -25.676 -50.097 -7.559 1.00 60.97 ? 214 LEU B O 1 ? ? +5999 ATOM N N . PHE B 2 214 ? -25.776 -50.338 -9.803 1.00 60.67 ? 215 PHE B N 1 ? ? +6000 ATOM C CA . PHE B 2 214 ? -25.322 -51.719 -9.779 1.00 61.09 ? 215 PHE B CA 1 ? ? +6001 ATOM C CB . PHE B 2 214 ? -25.273 -52.324 -11.200 1.00 60.97 ? 215 PHE B CB 1 ? ? +6002 ATOM C CG . PHE B 2 214 ? -24.519 -53.637 -11.273 1.00 61.13 ? 215 PHE B CG 1 ? ? +6003 ATOM C CD1 . PHE B 2 214 ? -25.148 -54.835 -10.976 1.00 62.12 ? 215 PHE B CD1 1 ? ? +6004 ATOM C CD2 . PHE B 2 214 ? -23.166 -53.664 -11.593 1.00 60.36 ? 215 PHE B CD2 1 ? ? +6005 ATOM C CE1 . PHE B 2 214 ? -24.443 -56.036 -11.026 1.00 62.25 ? 215 PHE B CE1 1 ? ? +6006 ATOM C CE2 . PHE B 2 214 ? -22.464 -54.858 -11.627 1.00 60.49 ? 215 PHE B CE2 1 ? ? +6007 ATOM C CZ . PHE B 2 214 ? -23.099 -56.034 -11.346 1.00 61.45 ? 215 PHE B CZ 1 ? ? +6008 ATOM C C . PHE B 2 214 ? -23.953 -51.821 -9.100 1.00 60.75 ? 215 PHE B C 1 ? ? +6009 ATOM O O . PHE B 2 214 ? -23.757 -52.689 -8.247 1.00 61.28 ? 215 PHE B O 1 ? ? +6010 ATOM N N . HIS B 2 215 ? -23.016 -50.931 -9.484 1.00 59.84 ? 216 HIS B N 1 ? ? +6011 ATOM C CA . HIS B 2 215 ? -21.670 -50.935 -8.934 1.00 59.42 ? 216 HIS B CA 1 ? ? +6012 ATOM C CB . HIS B 2 215 ? -20.714 -50.101 -9.816 1.00 58.35 ? 216 HIS B CB 1 ? ? +6013 ATOM C CG . HIS B 2 215 ? -20.180 -50.927 -10.936 1.00 58.12 ? 216 HIS B CG 1 ? ? +6014 ATOM N ND1 . HIS B 2 215 ? -19.376 -52.008 -10.682 1.00 58.28 ? 216 HIS B ND1 1 ? ? +6015 ATOM C CE1 . HIS B 2 215 ? -19.118 -52.556 -11.850 1.00 58.13 ? 216 HIS B CE1 1 ? ? +6016 ATOM N NE2 . HIS B 2 215 ? -19.746 -51.899 -12.831 1.00 57.95 ? 216 HIS B NE2 1 ? ? +6017 ATOM C CD2 . HIS B 2 215 ? -20.427 -50.861 -12.254 1.00 57.93 ? 216 HIS B CD2 1 ? ? +6018 ATOM C C . HIS B 2 215 ? -21.557 -50.447 -7.494 1.00 59.71 ? 216 HIS B C 1 ? ? +6019 ATOM O O . HIS B 2 215 ? -20.525 -50.643 -6.854 1.00 59.59 ? 216 HIS B O 1 ? ? +6020 ATOM N N . ILE B 2 216 ? -22.601 -49.786 -6.993 1.00 60.15 ? 217 ILE B N 1 ? ? +6021 ATOM C CA . ILE B 2 216 ? -22.633 -49.425 -5.588 1.00 60.45 ? 217 ILE B CA 1 ? ? +6022 ATOM C CB . ILE B 2 216 ? -23.488 -48.165 -5.364 1.00 60.55 ? 217 ILE B CB 1 ? ? +6023 ATOM C CG1 . ILE B 2 216 ? -22.794 -46.956 -6.016 1.00 59.67 ? 217 ILE B CG1 1 ? ? +6024 ATOM C CG2 . ILE B 2 216 ? -23.741 -47.926 -3.895 1.00 61.03 ? 217 ILE B CG2 1 ? ? +6025 ATOM C CD1 . ILE B 2 216 ? -23.577 -45.676 -6.009 1.00 59.69 ? 217 ILE B CD1 1 ? ? +6026 ATOM C C . ILE B 2 216 ? -23.081 -50.619 -4.752 1.00 61.40 ? 217 ILE B C 1 ? ? +6027 ATOM O O . ILE B 2 216 ? -22.534 -50.838 -3.681 1.00 61.60 ? 217 ILE B O 1 ? ? +6028 ATOM N N . LEU B 2 217 ? -24.051 -51.393 -5.261 1.00 62.05 ? 218 LEU B N 1 ? ? +6029 ATOM C CA . LEU B 2 217 ? -24.730 -52.419 -4.490 1.00 63.03 ? 218 LEU B CA 1 ? ? +6030 ATOM C CB . LEU B 2 217 ? -26.211 -52.469 -4.931 1.00 63.79 ? 218 LEU B CB 1 ? ? +6031 ATOM C CG . LEU B 2 217 ? -27.047 -51.205 -4.686 1.00 63.88 ? 218 LEU B CG 1 ? ? +6032 ATOM C CD1 . LEU B 2 217 ? -28.417 -51.327 -5.314 1.00 64.56 ? 218 LEU B CD1 1 ? ? +6033 ATOM C CD2 . LEU B 2 217 ? -27.212 -50.912 -3.192 1.00 64.33 ? 218 LEU B CD2 1 ? ? +6034 ATOM C C . LEU B 2 217 ? -24.159 -53.829 -4.634 1.00 63.22 ? 218 LEU B C 1 ? ? +6035 ATOM O O . LEU B 2 217 ? -24.418 -54.676 -3.779 1.00 63.96 ? 218 LEU B O 1 ? ? +6036 ATOM N N . VAL B 2 218 ? -23.446 -54.100 -5.737 1.00 62.52 ? 219 VAL B N 1 ? ? +6037 ATOM C CA . VAL B 2 218 ? -22.932 -55.437 -6.011 1.00 62.70 ? 219 VAL B CA 1 ? ? +6038 ATOM C CB . VAL B 2 218 ? -23.430 -55.981 -7.372 1.00 62.77 ? 219 VAL B CB 1 ? ? +6039 ATOM C CG1 . VAL B 2 218 ? -22.937 -57.403 -7.620 1.00 63.03 ? 219 VAL B CG1 1 ? ? +6040 ATOM C CG2 . VAL B 2 218 ? -24.953 -55.922 -7.458 1.00 63.56 ? 219 VAL B CG2 1 ? ? +6041 ATOM C C . VAL B 2 218 ? -21.404 -55.457 -5.937 1.00 61.95 ? 219 VAL B C 1 ? ? +6042 ATOM O O . VAL B 2 218 ? -20.720 -54.793 -6.712 1.00 61.11 ? 219 VAL B O 1 ? ? +6043 ATOM N N . ARG B 2 219 ? -20.883 -56.248 -4.995 1.00 62.31 ? 220 ARG B N 1 ? ? +6044 ATOM C CA . ARG B 2 219 ? -19.453 -56.418 -4.827 1.00 61.69 ? 220 ARG B CA 1 ? ? +6045 ATOM C CB . ARG B 2 219 ? -19.154 -57.141 -3.506 1.00 62.24 ? 220 ARG B CB 1 ? ? +6046 ATOM C CG . ARG B 2 219 ? -19.629 -56.383 -2.273 1.00 62.55 ? 220 ARG B CG 1 ? ? +6047 ATOM C CD . ARG B 2 219 ? -19.150 -54.950 -2.208 1.00 61.77 ? 220 ARG B CD 1 ? ? +6048 ATOM N NE . ARG B 2 219 ? -17.696 -54.886 -2.265 1.00 61.15 ? 220 ARG B NE 1 ? ? +6049 ATOM C CZ . ARG B 2 219 ? -16.975 -53.789 -2.089 1.00 60.49 ? 220 ARG B CZ 1 ? ? +6050 ATOM N NH1 . ARG B 2 219 ? -17.544 -52.601 -1.970 1.00 60.38 ? 220 ARG B NH1 1 ? ? +6051 ATOM N NH2 . ARG B 2 219 ? -15.652 -53.890 -2.013 1.00 59.92 ? 220 ARG B NH2 1 ? ? +6052 ATOM C C . ARG B 2 219 ? -18.866 -57.188 -6.005 1.00 61.43 ? 220 ARG B C 1 ? ? +6053 ATOM O O . ARG B 2 219 ? -19.540 -58.044 -6.572 1.00 61.86 ? 220 ARG B O 1 ? ? +6054 ATOM N N . PRO B 2 220 ? -17.596 -56.909 -6.392 1.00 60.68 ? 221 PRO B N 1 ? ? +6055 ATOM C CA . PRO B 2 220 ? -16.923 -57.651 -7.457 1.00 60.50 ? 221 PRO B CA 1 ? ? +6056 ATOM C CB . PRO B 2 220 ? -15.533 -56.987 -7.540 1.00 59.55 ? 221 PRO B CB 1 ? ? +6057 ATOM C CG . PRO B 2 220 ? -15.685 -55.669 -6.880 1.00 59.18 ? 221 PRO B CG 1 ? ? +6058 ATOM C CD . PRO B 2 220 ? -16.739 -55.863 -5.816 1.00 60.02 ? 221 PRO B CD 1 ? ? +6059 ATOM C C . PRO B 2 220 ? -16.777 -59.137 -7.160 1.00 61.40 ? 221 PRO B C 1 ? ? +6060 ATOM O O . PRO B 2 220 ? -16.548 -59.530 -6.019 1.00 61.78 ? 221 PRO B O 1 ? ? +6061 ATOM N N . PRO B 2 221 ? -16.885 -60.017 -8.176 1.00 61.93 ? 222 PRO B N 1 ? ? +6062 ATOM C CA . PRO B 2 221 ? -16.582 -61.427 -7.972 1.00 62.95 ? 222 PRO B CA 1 ? ? +6063 ATOM C CB . PRO B 2 221 ? -16.916 -62.059 -9.316 1.00 62.84 ? 222 PRO B CB 1 ? ? +6064 ATOM C CG . PRO B 2 221 ? -16.995 -60.968 -10.274 1.00 61.99 ? 222 PRO B CG 1 ? ? +6065 ATOM C CD . PRO B 2 221 ? -17.288 -59.709 -9.552 1.00 61.64 ? 222 PRO B CD 1 ? ? +6066 ATOM C C . PRO B 2 221 ? -15.122 -61.602 -7.555 1.00 63.32 ? 222 PRO B C 1 ? ? +6067 ATOM O O . PRO B 2 221 ? -14.235 -60.879 -8.008 1.00 62.35 ? 222 PRO B O 1 ? ? +6068 ATOM N N . GLN B 2 222 ? -14.901 -62.556 -6.650 1.00 65.05 ? 223 GLN B N 1 ? ? +6069 ATOM C CA . GLN B 2 222 ? -13.571 -62.879 -6.162 1.00 65.76 ? 223 GLN B CA 1 ? ? +6070 ATOM C CB . GLN B 2 222 ? -13.648 -64.129 -5.315 1.00 67.77 ? 223 GLN B CB 1 ? ? +6071 ATOM C CG . GLN B 2 222 ? -12.320 -64.742 -4.916 1.00 68.74 ? 223 GLN B CG 1 ? ? +6072 ATOM C CD . GLN B 2 222 ? -12.578 -65.604 -3.678 1.00 71.37 ? 223 GLN B CD 1 ? ? +6073 ATOM O OE1 . GLN B 2 222 ? -13.262 -66.680 -3.704 1.00 72.75 ? 223 GLN B OE1 1 ? ? +6074 ATOM N NE2 . GLN B 2 222 ? -12.087 -65.115 -2.525 1.00 72.33 ? 223 GLN B NE2 1 ? ? +6075 ATOM C C . GLN B 2 222 ? -12.582 -63.073 -7.304 1.00 65.14 ? 223 GLN B C 1 ? ? +6076 ATOM O O . GLN B 2 222 ? -11.469 -62.559 -7.259 1.00 64.38 ? 223 GLN B O 1 ? ? +6077 ATOM N N . ARG B 2 223 ? -13.014 -63.788 -8.343 1.00 65.38 ? 224 ARG B N 1 ? ? +6078 ATOM C CA . ARG B 2 223 ? -12.136 -64.111 -9.453 1.00 64.93 ? 224 ARG B CA 1 ? ? +6079 ATOM C CB . ARG B 2 223 ? -12.791 -65.146 -10.366 1.00 65.31 ? 224 ARG B CB 1 ? ? +6080 ATOM C CG . ARG B 2 223 ? -13.038 -66.414 -9.604 1.00 66.25 ? 224 ARG B CG 1 ? ? +6081 ATOM C CD . ARG B 2 223 ? -13.236 -67.594 -10.461 1.00 66.75 ? 224 ARG B CD 1 ? ? +6082 ATOM N NE . ARG B 2 223 ? -11.965 -68.218 -10.795 1.00 66.45 ? 224 ARG B NE 1 ? ? +6083 ATOM C CZ . ARG B 2 223 ? -11.824 -69.491 -11.133 1.00 66.92 ? 224 ARG B CZ 1 ? ? +6084 ATOM N NH1 . ARG B 2 223 ? -12.740 -70.392 -10.836 1.00 67.80 ? 224 ARG B NH1 1 ? ? +6085 ATOM N NH2 . ARG B 2 223 ? -10.728 -69.871 -11.779 1.00 66.72 ? 224 ARG B NH2 1 ? ? +6086 ATOM C C . ARG B 2 223 ? -11.693 -62.884 -10.241 1.00 64.16 ? 224 ARG B C 1 ? ? +6087 ATOM O O . ARG B 2 223 ? -10.553 -62.845 -10.700 1.00 63.78 ? 224 ARG B O 1 ? ? +6088 ATOM N N . LEU B 2 224 ? -12.587 -61.897 -10.394 1.00 64.28 ? 225 LEU B N 1 ? ? +6089 ATOM C CA . LEU B 2 224 ? -12.238 -60.650 -11.061 1.00 63.41 ? 225 LEU B CA 1 ? ? +6090 ATOM C CB . LEU B 2 224 ? -13.495 -59.905 -11.543 1.00 63.37 ? 225 LEU B CB 1 ? ? +6091 ATOM C CG . LEU B 2 224 ? -14.237 -60.554 -12.696 1.00 63.60 ? 225 LEU B CG 1 ? ? +6092 ATOM C CD1 . LEU B 2 224 ? -15.351 -59.660 -13.190 1.00 63.51 ? 225 LEU B CD1 1 ? ? +6093 ATOM C CD2 . LEU B 2 224 ? -13.290 -60.875 -13.833 1.00 63.12 ? 225 LEU B CD2 1 ? ? +6094 ATOM C C . LEU B 2 224 ? -11.418 -59.743 -10.147 1.00 63.16 ? 225 LEU B C 1 ? ? +6095 ATOM O O . LEU B 2 224 ? -10.492 -59.079 -10.617 1.00 62.28 ? 225 LEU B O 1 ? ? +6096 ATOM N N . TYR B 2 225 ? -11.772 -59.715 -8.853 1.00 63.98 ? 226 TYR B N 1 ? ? +6097 ATOM C CA . TYR B 2 225 ? -11.036 -58.930 -7.872 1.00 64.03 ? 226 TYR B CA 1 ? ? +6098 ATOM C CB . TYR B 2 225 ? -11.657 -59.097 -6.466 1.00 64.54 ? 226 TYR B CB 1 ? ? +6099 ATOM C CG . TYR B 2 225 ? -11.105 -58.144 -5.421 1.00 64.05 ? 226 TYR B CG 1 ? ? +6100 ATOM C CD1 . TYR B 2 225 ? -9.844 -58.337 -4.866 1.00 63.61 ? 226 TYR B CD1 1 ? ? +6101 ATOM C CD2 . TYR B 2 225 ? -11.843 -57.048 -4.989 1.00 63.77 ? 226 TYR B CD2 1 ? ? +6102 ATOM C CE1 . TYR B 2 225 ? -9.335 -57.468 -3.911 1.00 63.22 ? 226 TYR B CE1 1 ? ? +6103 ATOM C CE2 . TYR B 2 225 ? -11.338 -56.166 -4.042 1.00 63.47 ? 226 TYR B CE2 1 ? ? +6104 ATOM C CZ . TYR B 2 225 ? -10.081 -56.376 -3.510 1.00 63.18 ? 226 TYR B CZ 1 ? ? +6105 ATOM O OH . TYR B 2 225 ? -9.604 -55.504 -2.566 1.00 62.90 ? 226 TYR B OH 1 ? ? +6106 ATOM C C . TYR B 2 225 ? -9.557 -59.322 -7.873 1.00 64.30 ? 226 TYR B C 1 ? ? +6107 ATOM O O . TYR B 2 225 ? -8.680 -58.467 -7.894 1.00 63.68 ? 226 TYR B O 1 ? ? +6108 ATOM N N . LYS B 2 226 ? -9.297 -60.630 -7.863 1.00 65.74 ? 227 LYS B N 1 ? ? +6109 ATOM C CA . LYS B 2 226 ? -7.943 -61.153 -7.849 1.00 66.25 ? 227 LYS B CA 1 ? ? +6110 ATOM C CB . LYS B 2 226 ? -7.960 -62.658 -7.548 1.00 68.68 ? 227 LYS B CB 1 ? ? +6111 ATOM C CG . LYS B 2 226 ? -7.892 -63.048 -6.056 1.00 70.97 ? 227 LYS B CG 1 ? ? +6112 ATOM C CD . LYS B 2 226 ? -7.166 -64.410 -5.827 1.00 73.26 ? 227 LYS B CD 1 ? ? +6113 ATOM C CE . LYS B 2 226 ? -5.838 -64.461 -6.620 1.00 74.84 ? 227 LYS B CE 1 ? ? +6114 ATOM N NZ . LYS B 2 226 ? -4.819 -65.388 -6.032 1.00 76.54 ? 227 LYS B NZ 1 ? ? +6115 ATOM C C . LYS B 2 226 ? -7.217 -60.911 -9.169 1.00 64.76 ? 227 LYS B C 1 ? ? +6116 ATOM O O . LYS B 2 226 ? -6.077 -60.450 -9.179 1.00 64.18 ? 227 LYS B O 1 ? ? +6117 ATOM N N . ALA B 2 227 ? -7.886 -61.221 -10.282 1.00 64.21 ? 228 ALA B N 1 ? ? +6118 ATOM C CA . ALA B 2 227 ? -7.270 -61.137 -11.596 1.00 63.13 ? 228 ALA B CA 1 ? ? +6119 ATOM C CB . ALA B 2 227 ? -8.183 -61.742 -12.637 1.00 63.60 ? 228 ALA B CB 1 ? ? +6120 ATOM C C . ALA B 2 227 ? -6.913 -59.712 -12.003 1.00 61.75 ? 228 ALA B C 1 ? ? +6121 ATOM O O . ALA B 2 227 ? -5.916 -59.498 -12.682 1.00 61.43 ? 228 ALA B O 1 ? ? +6122 ATOM N N . LEU B 2 228 ? -7.739 -58.740 -11.602 1.00 61.19 ? 229 LEU B N 1 ? ? +6123 ATOM C CA . LEU B 2 228 ? -7.490 -57.345 -11.930 1.00 59.97 ? 229 LEU B CA 1 ? ? +6124 ATOM C CB . LEU B 2 228 ? -8.807 -56.711 -12.375 1.00 59.89 ? 229 LEU B CB 1 ? ? +6125 ATOM C CG . LEU B 2 228 ? -9.296 -57.197 -13.734 1.00 59.97 ? 229 LEU B CG 1 ? ? +6126 ATOM C CD1 . LEU B 2 228 ? -10.612 -56.524 -14.154 1.00 60.05 ? 229 LEU B CD1 1 ? ? +6127 ATOM C CD2 . LEU B 2 228 ? -8.256 -56.925 -14.795 1.00 59.34 ? 229 LEU B CD2 1 ? ? +6128 ATOM C C . LEU B 2 228 ? -6.844 -56.540 -10.799 1.00 59.38 ? 229 LEU B C 1 ? ? +6129 ATOM O O . LEU B 2 228 ? -6.522 -55.371 -10.990 1.00 58.89 ? 229 LEU B O 1 ? ? +6130 ATOM N N . ARG B 2 229 ? -6.610 -57.175 -9.644 1.00 59.43 ? 230 ARG B N 1 ? ? +6131 ATOM C CA . ARG B 2 229 ? -5.913 -56.544 -8.530 1.00 58.98 ? 230 ARG B CA 1 ? ? +6132 ATOM C CB . ARG B 2 229 ? -4.463 -56.147 -8.907 1.00 58.65 ? 230 ARG B CB 1 ? ? +6133 ATOM C CG . ARG B 2 229 ? -3.691 -57.229 -9.610 1.00 59.29 ? 230 ARG B CG 1 ? ? +6134 ATOM C CD . ARG B 2 229 ? -3.347 -58.393 -8.699 1.00 60.77 ? 230 ARG B CD 1 ? ? +6135 ATOM N NE . ARG B 2 229 ? -2.201 -59.156 -9.205 1.00 61.78 ? 230 ARG B NE 1 ? ? +6136 ATOM C CZ . ARG B 2 229 ? -2.238 -60.003 -10.233 1.00 62.67 ? 230 ARG B CZ 1 ? ? +6137 ATOM N NH1 . ARG B 2 229 ? -3.389 -60.450 -10.730 1.00 63.58 ? 230 ARG B NH1 1 ? ? +6138 ATOM N NH2 . ARG B 2 229 ? -1.092 -60.425 -10.766 1.00 62.31 ? 230 ARG B NH2 1 ? ? +6139 ATOM C C . ARG B 2 229 ? -6.686 -55.319 -8.056 1.00 57.89 ? 230 ARG B C 1 ? ? +6140 ATOM O O . ARG B 2 229 ? -6.141 -54.228 -7.971 1.00 57.40 ? 230 ARG B O 1 ? ? +6141 ATOM N N . MET B 2 230 ? -7.957 -55.522 -7.722 1.00 57.70 ? 231 MET B N 1 ? ? +6142 ATOM C CA . MET B 2 230 ? -8.850 -54.421 -7.406 1.00 57.09 ? 231 MET B CA 1 ? ? +6143 ATOM C CB . MET B 2 230 ? -10.302 -54.913 -7.471 1.00 57.64 ? 231 MET B CB 1 ? ? +6144 ATOM C CG . MET B 2 230 ? -10.781 -55.137 -8.861 1.00 57.41 ? 231 MET B CG 1 ? ? +6145 ATOM S SD . MET B 2 230 ? -12.552 -55.458 -8.896 1.00 58.04 ? 231 MET B SD 1 ? ? +6146 ATOM C CE . MET B 2 230 ? -12.668 -56.261 -10.433 1.00 58.07 ? 231 MET B CE 1 ? ? +6147 ATOM C C . MET B 2 230 ? -8.550 -53.823 -6.034 1.00 56.71 ? 231 MET B C 1 ? ? +6148 ATOM O O . MET B 2 230 ? -9.157 -52.832 -5.634 1.00 56.55 ? 231 MET B O 1 ? ? +6149 ATOM N N . GLY B 2 231 ? -7.623 -54.454 -5.308 1.00 56.50 ? 232 GLY B N 1 ? ? +6150 ATOM C CA . GLY B 2 231 ? -7.113 -53.905 -4.066 1.00 56.23 ? 232 GLY B CA 1 ? ? +6151 ATOM C C . GLY B 2 231 ? -6.049 -52.829 -4.272 1.00 55.16 ? 232 GLY B C 1 ? ? +6152 ATOM O O . GLY B 2 231 ? -5.740 -52.100 -3.335 1.00 55.10 ? 232 GLY B O 1 ? ? +6153 ATOM N N . ASN B 2 232 ? -5.527 -52.733 -5.506 1.00 54.31 ? 233 ASN B N 1 ? ? +6154 ATOM C CA . ASN B 2 232 ? -4.395 -51.887 -5.854 1.00 53.26 ? 233 ASN B CA 1 ? ? +6155 ATOM C CB . ASN B 2 232 ? -3.358 -52.752 -6.536 1.00 53.02 ? 233 ASN B CB 1 ? ? +6156 ATOM C CG . ASN B 2 232 ? -2.123 -52.045 -7.041 1.00 52.19 ? 233 ASN B CG 1 ? ? +6157 ATOM O OD1 . ASN B 2 232 ? -1.975 -50.823 -7.040 1.00 51.59 ? 233 ASN B OD1 1 ? ? +6158 ATOM N ND2 . ASN B 2 232 ? -1.227 -52.854 -7.510 1.00 52.13 ? 233 ASN B ND2 1 ? ? +6159 ATOM C C . ASN B 2 232 ? -4.778 -50.726 -6.770 1.00 52.52 ? 233 ASN B C 1 ? ? +6160 ATOM O O . ASN B 2 232 ? -5.108 -50.916 -7.936 1.00 52.32 ? 233 ASN B O 1 ? ? +6161 ATOM N N . ILE B 2 233 ? -4.662 -49.506 -6.250 1.00 52.05 ? 234 ILE B N 1 ? ? +6162 ATOM C CA . ILE B 2 233 ? -5.103 -48.328 -6.972 1.00 51.40 ? 234 ILE B CA 1 ? ? +6163 ATOM C CB . ILE B 2 233 ? -4.833 -47.084 -6.104 1.00 51.17 ? 234 ILE B CB 1 ? ? +6164 ATOM C CG1 . ILE B 2 233 ? -5.525 -45.856 -6.673 1.00 50.80 ? 234 ILE B CG1 1 ? ? +6165 ATOM C CG2 . ILE B 2 233 ? -3.342 -46.832 -5.906 1.00 50.79 ? 234 ILE B CG2 1 ? ? +6166 ATOM C CD1 . ILE B 2 233 ? -5.451 -44.661 -5.794 1.00 50.67 ? 234 ILE B CD1 1 ? ? +6167 ATOM C C . ILE B 2 233 ? -4.488 -48.205 -8.363 1.00 50.67 ? 234 ILE B C 1 ? ? +6168 ATOM O O . ILE B 2 233 ? -5.049 -47.545 -9.226 1.00 50.38 ? 234 ILE B O 1 ? ? +6169 ATOM N N . GLU B 2 234 ? -3.323 -48.828 -8.582 1.00 50.41 ? 235 GLU B N 1 ? ? +6170 ATOM C CA . GLU B 2 234 ? -2.636 -48.716 -9.859 1.00 49.71 ? 235 GLU B CA 1 ? ? +6171 ATOM C CB . GLU B 2 234 ? -1.148 -49.160 -9.737 1.00 49.47 ? 235 GLU B CB 1 ? ? +6172 ATOM C CG . GLU B 2 234 ? -0.286 -48.636 -10.866 1.00 48.78 ? 235 GLU B CG 1 ? ? +6173 ATOM C CD . GLU B 2 234 ? 1.236 -48.683 -10.682 1.00 48.58 ? 235 GLU B CD 1 ? ? +6174 ATOM O OE1 . GLU B 2 234 ? 1.732 -49.200 -9.655 1.00 48.91 ? 235 GLU B OE1 1 ? ? +6175 ATOM O OE2 . GLU B 2 234 ? 1.939 -48.213 -11.600 1.00 48.00 ? 235 GLU B OE2 1 ? ? +6176 ATOM C C . GLU B 2 234 ? -3.387 -49.478 -10.956 1.00 49.78 ? 235 GLU B C 1 ? ? +6177 ATOM O O . GLU B 2 234 ? -3.255 -49.151 -12.134 1.00 49.30 ? 235 GLU B O 1 ? ? +6178 ATOM N N . THR B 2 235 ? -4.213 -50.465 -10.586 1.00 50.40 ? 236 THR B N 1 ? ? +6179 ATOM C CA . THR B 2 235 ? -5.065 -51.103 -11.586 1.00 50.57 ? 236 THR B CA 1 ? ? +6180 ATOM C CB . THR B 2 235 ? -5.823 -52.301 -11.060 1.00 51.42 ? 236 THR B CB 1 ? ? +6181 ATOM O OG1 . THR B 2 235 ? -6.096 -53.149 -12.177 1.00 51.60 ? 236 THR B OG1 1 ? ? +6182 ATOM C CG2 . THR B 2 235 ? -7.107 -51.936 -10.337 1.00 51.86 ? 236 THR B CG2 1 ? ? +6183 ATOM C C . THR B 2 235 ? -5.999 -50.056 -12.194 1.00 50.19 ? 236 THR B C 1 ? ? +6184 ATOM O O . THR B 2 235 ? -6.175 -50.025 -13.406 1.00 49.89 ? 236 THR B O 1 ? ? +6185 ATOM N N . VAL B 2 236 ? -6.507 -49.143 -11.362 1.00 50.15 ? 237 VAL B N 1 ? ? +6186 ATOM C CA . VAL B 2 236 ? -7.410 -48.102 -11.831 1.00 49.95 ? 237 VAL B CA 1 ? ? +6187 ATOM C CB . VAL B 2 236 ? -8.098 -47.319 -10.680 1.00 50.27 ? 237 VAL B CB 1 ? ? +6188 ATOM C CG1 . VAL B 2 236 ? -9.146 -46.352 -11.232 1.00 50.23 ? 237 VAL B CG1 1 ? ? +6189 ATOM C CG2 . VAL B 2 236 ? -8.729 -48.264 -9.677 1.00 51.07 ? 237 VAL B CG2 1 ? ? +6190 ATOM C C . VAL B 2 236 ? -6.683 -47.150 -12.776 1.00 49.04 ? 237 VAL B C 1 ? ? +6191 ATOM O O . VAL B 2 236 ? -7.220 -46.748 -13.807 1.00 48.79 ? 237 VAL B O 1 ? ? +6192 ATOM N N . LEU B 2 237 ? -5.437 -46.807 -12.439 1.00 48.50 ? 238 LEU B N 1 ? ? +6193 ATOM C CA . LEU B 2 237 ? -4.656 -45.961 -13.317 1.00 47.69 ? 238 LEU B CA 1 ? ? +6194 ATOM C CB . LEU B 2 237 ? -3.289 -45.691 -12.675 1.00 47.43 ? 238 LEU B CB 1 ? ? +6195 ATOM C CG . LEU B 2 237 ? -2.389 -44.691 -13.371 1.00 46.75 ? 238 LEU B CG 1 ? ? +6196 ATOM C CD1 . LEU B 2 237 ? -3.074 -43.335 -13.539 1.00 46.49 ? 238 LEU B CD1 1 ? ? +6197 ATOM C CD2 . LEU B 2 237 ? -1.153 -44.509 -12.595 1.00 46.60 ? 238 LEU B CD2 1 ? ? +6198 ATOM C C . LEU B 2 237 ? -4.517 -46.599 -14.695 1.00 47.42 ? 238 LEU B C 1 ? ? +6199 ATOM O O . LEU B 2 237 ? -4.739 -45.943 -15.710 1.00 47.02 ? 238 LEU B O 1 ? ? +6200 ATOM N N A SER B 2 238 ? -4.157 -47.886 -14.716 0.50 47.68 ? 239 SER B N 1 ? ? +6201 ATOM N N B SER B 2 238 ? -4.155 -47.884 -14.717 0.50 47.68 ? 239 SER B N 1 ? ? +6202 ATOM C CA A SER B 2 238 ? -3.963 -48.609 -15.961 0.50 47.58 ? 239 SER B CA 1 ? ? +6203 ATOM C CA B SER B 2 238 ? -3.965 -48.596 -15.968 0.50 47.58 ? 239 SER B CA 1 ? ? +6204 ATOM C C A SER B 2 238 ? -5.218 -48.551 -16.829 0.50 47.72 ? 239 SER B C 1 ? ? +6205 ATOM C C B SER B 2 238 ? -5.221 -48.548 -16.832 0.50 47.72 ? 239 SER B C 1 ? ? +6206 ATOM O O A SER B 2 238 ? -5.144 -48.089 -17.962 0.50 47.32 ? 239 SER B O 1 ? ? +6207 ATOM O O B SER B 2 238 ? -5.148 -48.090 -17.965 0.50 47.33 ? 239 SER B O 1 ? ? +6208 ATOM C CB A SER B 2 238 ? -3.562 -50.061 -15.703 0.50 48.00 ? 239 SER B CB 1 ? ? +6209 ATOM C CB B SER B 2 238 ? -3.539 -50.037 -15.728 0.50 47.99 ? 239 SER B CB 1 ? ? +6210 ATOM O OG A SER B 2 238 ? -2.774 -50.209 -14.534 0.50 48.09 ? 239 SER B OG 1 ? ? +6211 ATOM O OG B SER B 2 238 ? -3.345 -50.701 -16.967 0.50 47.92 ? 239 SER B OG 1 ? ? +6212 ATOM N N . SER B 2 239 ? -6.361 -49.011 -16.287 1.00 48.31 ? 240 SER B N 1 ? ? +6213 ATOM C CA . SER B 2 239 ? -7.631 -48.977 -17.013 1.00 48.57 ? 240 SER B CA 1 ? ? +6214 ATOM C CB . SER B 2 239 ? -8.780 -49.708 -16.278 1.00 49.36 ? 240 SER B CB 1 ? ? +6215 ATOM O OG . SER B 2 239 ? -8.984 -49.372 -14.914 1.00 49.63 ? 240 SER B OG 1 ? ? +6216 ATOM C C . SER B 2 239 ? -8.074 -47.562 -17.404 1.00 48.15 ? 240 SER B C 1 ? ? +6217 ATOM O O . SER B 2 239 ? -8.536 -47.349 -18.521 1.00 48.02 ? 240 SER B O 1 ? ? +6218 ATOM N N . SER B 2 240 ? -7.881 -46.585 -16.508 1.00 47.92 ? 241 SER B N 1 ? ? +6219 ATOM C CA . SER B 2 240 ? -8.322 -45.228 -16.776 1.00 47.59 ? 241 SER B CA 1 ? ? +6220 ATOM C CB . SER B 2 240 ? -8.209 -44.349 -15.534 1.00 47.52 ? 241 SER B CB 1 ? ? +6221 ATOM O OG . SER B 2 240 ? -9.189 -44.661 -14.563 1.00 48.11 ? 241 SER B OG 1 ? ? +6222 ATOM C C . SER B 2 240 ? -7.553 -44.618 -17.941 1.00 46.97 ? 241 SER B C 1 ? ? +6223 ATOM O O . SER B 2 240 ? -8.151 -43.993 -18.807 1.00 46.85 ? 241 SER B O 1 ? ? +6224 ATOM N N . ILE B 2 241 ? -6.226 -44.803 -17.953 1.00 46.64 ? 242 ILE B N 1 ? ? +6225 ATOM C CA . ILE B 2 241 ? -5.381 -44.354 -19.048 1.00 46.06 ? 242 ILE B CA 1 ? ? +6226 ATOM C CB . ILE B 2 241 ? -3.878 -44.681 -18.786 1.00 45.81 ? 242 ILE B CB 1 ? ? +6227 ATOM C CG1 . ILE B 2 241 ? -3.318 -43.768 -17.718 1.00 45.60 ? 242 ILE B CG1 1 ? ? +6228 ATOM C CG2 . ILE B 2 241 ? -3.047 -44.578 -20.083 1.00 45.36 ? 242 ILE B CG2 1 ? ? +6229 ATOM C CD1 . ILE B 2 241 ? -1.891 -44.137 -17.213 1.00 45.47 ? 242 ILE B CD1 1 ? ? +6230 ATOM C C . ILE B 2 241 ? -5.839 -44.959 -20.365 1.00 46.14 ? 242 ILE B C 1 ? ? +6231 ATOM O O . ILE B 2 241 ? -5.907 -44.264 -21.367 1.00 45.79 ? 242 ILE B O 1 ? ? +6232 ATOM N N . ALA B 2 242 ? -6.149 -46.255 -20.348 1.00 46.66 ? 243 ALA B N 1 ? ? +6233 ATOM C CA . ALA B 2 242 ? -6.657 -46.934 -21.531 1.00 46.91 ? 243 ALA B CA 1 ? ? +6234 ATOM C CB . ALA B 2 242 ? -6.866 -48.409 -21.240 1.00 47.46 ? 243 ALA B CB 1 ? ? +6235 ATOM C C . ALA B 2 242 ? -7.946 -46.312 -22.078 1.00 47.11 ? 243 ALA B C 1 ? ? +6236 ATOM O O . ALA B 2 242 ? -8.086 -46.148 -23.289 1.00 46.96 ? 243 ALA B O 1 ? ? +6237 ATOM N N . ALA B 2 243 ? -8.878 -45.965 -21.182 1.00 47.50 ? 244 ALA B N 1 ? ? +6238 ATOM C CA . ALA B 2 243 ? -10.132 -45.346 -21.581 1.00 47.76 ? 244 ALA B CA 1 ? ? +6239 ATOM C CB . ALA B 2 243 ? -11.098 -45.237 -20.389 1.00 48.23 ? 244 ALA B CB 1 ? ? +6240 ATOM C C . ALA B 2 243 ? -9.846 -43.967 -22.164 1.00 47.26 ? 244 ALA B C 1 ? ? +6241 ATOM O O . ALA B 2 243 ? -10.444 -43.555 -23.157 1.00 47.18 ? 244 ALA B O 1 ? ? +6242 ATOM N N . VAL B 2 244 ? -8.892 -43.266 -21.546 1.00 46.93 ? 245 VAL B N 1 ? ? +6243 ATOM C CA . VAL B 2 244 ? -8.542 -41.924 -21.977 1.00 46.49 ? 245 VAL B CA 1 ? ? +6244 ATOM C CB . VAL B 2 244 ? -7.636 -41.243 -20.921 1.00 46.28 ? 245 VAL B CB 1 ? ? +6245 ATOM C CG1 . VAL B 2 244 ? -6.949 -40.028 -21.481 1.00 45.75 ? 245 VAL B CG1 1 ? ? +6246 ATOM C CG2 . VAL B 2 244 ? -8.430 -40.853 -19.684 1.00 46.63 ? 245 VAL B CG2 1 ? ? +6247 ATOM C C . VAL B 2 244 ? -7.947 -41.894 -23.386 1.00 46.12 ? 245 VAL B C 1 ? ? +6248 ATOM O O . VAL B 2 244 ? -8.237 -40.968 -24.148 1.00 45.90 ? 245 VAL B O 1 ? ? +6249 ATOM N N . PHE B 2 245 ? -7.139 -42.895 -23.761 1.00 46.08 ? 246 PHE B N 1 ? ? +6250 ATOM C CA . PHE B 2 245 ? -6.499 -42.839 -25.073 1.00 45.73 ? 246 PHE B CA 1 ? ? +6251 ATOM C CB . PHE B 2 245 ? -5.094 -43.542 -25.133 1.00 45.45 ? 246 PHE B CB 1 ? ? +6252 ATOM C CG . PHE B 2 245 ? -5.059 -45.042 -25.269 1.00 45.79 ? 246 PHE B CG 1 ? ? +6253 ATOM C CD1 . PHE B 2 245 ? -5.586 -45.668 -26.388 1.00 46.01 ? 246 PHE B CD1 1 ? ? +6254 ATOM C CD2 . PHE B 2 245 ? -4.501 -45.829 -24.283 1.00 45.94 ? 246 PHE B CD2 1 ? ? +6255 ATOM C CE1 . PHE B 2 245 ? -5.570 -47.050 -26.505 1.00 46.37 ? 246 PHE B CE1 1 ? ? +6256 ATOM C CE2 . PHE B 2 245 ? -4.485 -47.210 -24.401 1.00 46.34 ? 246 PHE B CE2 1 ? ? +6257 ATOM C CZ . PHE B 2 245 ? -5.025 -47.814 -25.509 1.00 46.55 ? 246 PHE B CZ 1 ? ? +6258 ATOM C C . PHE B 2 245 ? -7.495 -43.336 -26.123 1.00 46.05 ? 246 PHE B C 1 ? ? +6259 ATOM O O . PHE B 2 245 ? -7.493 -42.903 -27.268 1.00 45.84 ? 246 PHE B O 1 ? ? +6260 ATOM N N . PHE B 2 246 ? -8.378 -44.237 -25.725 1.00 46.70 ? 247 PHE B N 1 ? ? +6261 ATOM C CA . PHE B 2 246 ? -9.530 -44.565 -26.558 1.00 47.14 ? 247 PHE B CA 1 ? ? +6262 ATOM C CB . PHE B 2 246 ? -10.404 -45.543 -25.830 1.00 47.93 ? 247 PHE B CB 1 ? ? +6263 ATOM C CG . PHE B 2 246 ? -11.569 -46.057 -26.616 1.00 48.65 ? 247 PHE B CG 1 ? ? +6264 ATOM C CD2 . PHE B 2 246 ? -12.827 -45.495 -26.467 1.00 49.05 ? 247 PHE B CD2 1 ? ? +6265 ATOM C CD1 . PHE B 2 246 ? -11.440 -47.167 -27.425 1.00 49.02 ? 247 PHE B CD1 1 ? ? +6266 ATOM C CE2 . PHE B 2 246 ? -13.910 -46.000 -27.153 1.00 49.63 ? 247 PHE B CE2 1 ? ? +6267 ATOM C CE1 . PHE B 2 246 ? -12.537 -47.668 -28.117 1.00 49.61 ? 247 PHE B CE1 1 ? ? +6268 ATOM C CZ . PHE B 2 246 ? -13.760 -47.077 -27.978 1.00 49.88 ? 247 PHE B CZ 1 ? ? +6269 ATOM C C . PHE B 2 246 ? -10.310 -43.307 -26.939 1.00 46.88 ? 247 PHE B C 1 ? ? +6270 ATOM O O . PHE B 2 246 ? -10.526 -43.033 -28.117 1.00 46.74 ? 247 PHE B O 1 ? ? +6271 ATOM N N . ALA B 2 247 ? -10.683 -42.514 -25.933 1.00 46.80 ? 248 ALA B N 1 ? ? +6272 ATOM C CA . ALA B 2 247 ? -11.397 -41.269 -26.178 1.00 46.63 ? 248 ALA B CA 1 ? ? +6273 ATOM C CB . ALA B 2 247 ? -11.784 -40.630 -24.859 1.00 46.74 ? 248 ALA B CB 1 ? ? +6274 ATOM C C . ALA B 2 247 ? -10.565 -40.301 -27.026 1.00 45.93 ? 248 ALA B C 1 ? ? +6275 ATOM O O . ALA B 2 247 ? -11.068 -39.705 -27.980 1.00 45.86 ? 248 ALA B O 1 ? ? +6276 ATOM N N . ALA B 2 248 ? -9.271 -40.163 -26.700 1.00 45.37 ? 249 ALA B N 1 ? ? +6277 ATOM C CA . ALA B 2 248 ? -8.398 -39.267 -27.443 1.00 44.74 ? 249 ALA B CA 1 ? ? +6278 ATOM C CB . ALA B 2 248 ? -6.978 -39.289 -26.880 1.00 44.36 ? 249 ALA B CB 1 ? ? +6279 ATOM C C . ALA B 2 248 ? -8.382 -39.586 -28.935 1.00 44.62 ? 249 ALA B C 1 ? ? +6280 ATOM O O . ALA B 2 248 ? -8.495 -38.682 -29.757 1.00 44.44 ? 249 ALA B O 1 ? ? +6281 ATOM N N . PHE B 2 249 ? -8.259 -40.866 -29.293 1.00 44.77 ? 250 PHE B N 1 ? ? +6282 ATOM C CA . PHE B 2 249 ? -8.313 -41.248 -30.695 1.00 44.78 ? 250 PHE B CA 1 ? ? +6283 ATOM C CB . PHE B 2 249 ? -8.005 -42.749 -30.861 1.00 45.07 ? 250 PHE B CB 1 ? ? +6284 ATOM C CG . PHE B 2 249 ? -6.527 -43.063 -30.952 1.00 44.71 ? 250 PHE B CG 1 ? ? +6285 ATOM C CD1 . PHE B 2 249 ? -5.716 -42.407 -31.864 1.00 44.28 ? 250 PHE B CD1 1 ? ? +6286 ATOM C CD2 . PHE B 2 249 ? -5.952 -44.015 -30.130 1.00 44.85 ? 250 PHE B CD2 1 ? ? +6287 ATOM C CE1 . PHE B 2 249 ? -4.340 -42.690 -31.943 1.00 43.97 ? 250 PHE B CE1 1 ? ? +6288 ATOM C CE2 . PHE B 2 249 ? -4.575 -44.288 -30.204 1.00 44.52 ? 250 PHE B CE2 1 ? ? +6289 ATOM C CZ . PHE B 2 249 ? -3.785 -43.628 -31.117 1.00 44.08 ? 250 PHE B CZ 1 ? ? +6290 ATOM C C . PHE B 2 249 ? -9.640 -40.880 -31.369 1.00 45.05 ? 250 PHE B C 1 ? ? +6291 ATOM O O . PHE B 2 249 ? -9.639 -40.311 -32.462 1.00 44.83 ? 250 PHE B O 1 ? ? +6292 ATOM N N . VAL B 2 250 ? -10.767 -41.164 -30.701 1.00 45.48 ? 251 VAL B N 1 ? ? +6293 ATOM C CA . VAL B 2 250 ? -12.070 -40.822 -31.250 1.00 45.84 ? 251 VAL B CA 1 ? ? +6294 ATOM C CB . VAL B 2 250 ? -13.200 -41.333 -30.341 1.00 46.44 ? 251 VAL B CB 1 ? ? +6295 ATOM C CG1 . VAL B 2 250 ? -14.548 -40.724 -30.733 1.00 46.81 ? 251 VAL B CG1 1 ? ? +6296 ATOM C CG2 . VAL B 2 250 ? -13.250 -42.850 -30.372 1.00 46.84 ? 251 VAL B CG2 1 ? ? +6297 ATOM C C . VAL B 2 250 ? -12.236 -39.332 -31.538 1.00 45.56 ? 251 VAL B C 1 ? ? +6298 ATOM O O . VAL B 2 250 ? -12.659 -38.963 -32.632 1.00 45.61 ? 251 VAL B O 1 ? ? +6299 ATOM N N . VAL B 2 251 ? -11.900 -38.468 -30.570 1.00 45.35 ? 252 VAL B N 1 ? ? +6300 ATOM C CA . VAL B 2 251 ? -12.027 -37.034 -30.796 1.00 45.15 ? 252 VAL B CA 1 ? ? +6301 ATOM C CB . VAL B 2 251 ? -11.936 -36.156 -29.521 1.00 44.98 ? 252 VAL B CB 1 ? ? +6302 ATOM C CG1 . VAL B 2 251 ? -13.026 -36.506 -28.523 1.00 45.49 ? 252 VAL B CG1 1 ? ? +6303 ATOM C CG2 . VAL B 2 251 ? -10.548 -36.224 -28.875 1.00 44.53 ? 252 VAL B CG2 1 ? ? +6304 ATOM C C . VAL B 2 251 ? -11.020 -36.540 -31.837 1.00 44.75 ? 252 VAL B C 1 ? ? +6305 ATOM O O . VAL B 2 251 ? -11.311 -35.581 -32.542 1.00 44.75 ? 252 VAL B O 1 ? ? +6306 ATOM N N . ALA B 2 252 ? -9.855 -37.183 -31.967 1.00 44.49 ? 253 ALA B N 1 ? ? +6307 ATOM C CA . ALA B 2 252 ? -8.946 -36.807 -33.037 1.00 44.16 ? 253 ALA B CA 1 ? ? +6308 ATOM C CB . ALA B 2 252 ? -7.540 -37.444 -32.842 1.00 43.83 ? 253 ALA B CB 1 ? ? +6309 ATOM C C . ALA B 2 252 ? -9.533 -37.176 -34.399 1.00 44.45 ? 253 ALA B C 1 ? ? +6310 ATOM O O . ALA B 2 252 ? -9.448 -36.416 -35.358 1.00 44.25 ? 253 ALA B O 1 ? ? +6311 ATOM N N . GLY B 2 253 ? -10.100 -38.368 -34.485 1.00 44.97 ? 254 GLY B N 1 ? ? +6312 ATOM C CA . GLY B 2 253 ? -10.804 -38.778 -35.692 1.00 45.44 ? 254 GLY B CA 1 ? ? +6313 ATOM C C . GLY B 2 253 ? -12.012 -37.926 -36.103 1.00 45.75 ? 254 GLY B C 1 ? ? +6314 ATOM O O . GLY B 2 253 ? -12.165 -37.582 -37.273 1.00 45.76 ? 254 GLY B O 1 ? ? +6315 ATOM N N . THR B 2 254 ? -12.862 -37.561 -35.146 1.00 46.08 ? 255 THR B N 1 ? ? +6316 ATOM C CA . THR B 2 254 ? -14.050 -36.794 -35.508 1.00 46.55 ? 255 THR B CA 1 ? ? +6317 ATOM C CB . THR B 2 254 ? -15.135 -36.814 -34.424 1.00 46.91 ? 255 THR B CB 1 ? ? +6318 ATOM O OG1 . THR B 2 254 ? -14.562 -36.294 -33.241 1.00 46.64 ? 255 THR B OG1 1 ? ? +6319 ATOM C CG2 . THR B 2 254 ? -15.650 -38.177 -34.153 1.00 47.39 ? 255 THR B CG2 1 ? ? +6320 ATOM C C . THR B 2 254 ? -13.630 -35.375 -35.888 1.00 46.24 ? 255 THR B C 1 ? ? +6321 ATOM O O . THR B 2 254 ? -14.249 -34.757 -36.749 1.00 46.47 ? 255 THR B O 1 ? ? +6322 ATOM N N . MET B 2 255 ? -12.572 -34.858 -35.257 1.00 45.83 ? 256 MET B N 1 ? ? +6323 ATOM C CA . MET B 2 255 ? -12.085 -33.537 -35.615 1.00 45.52 ? 256 MET B CA 1 ? ? +6324 ATOM C CB . MET B 2 255 ? -10.968 -33.083 -34.674 1.00 45.11 ? 256 MET B CB 1 ? ? +6325 ATOM C CG . MET B 2 255 ? -10.462 -31.653 -34.938 1.00 44.75 ? 256 MET B CG 1 ? ? +6326 ATOM S SD . MET B 2 255 ? -11.817 -30.465 -34.762 1.00 45.16 ? 256 MET B SD 1 ? ? +6327 ATOM C CE . MET B 2 255 ? -11.845 -30.221 -33.037 1.00 45.06 ? 256 MET B CE 1 ? ? +6328 ATOM C C . MET B 2 255 ? -11.593 -33.536 -37.061 1.00 45.46 ? 256 MET B C 1 ? ? +6329 ATOM O O . MET B 2 255 ? -11.782 -32.560 -37.773 1.00 45.44 ? 256 MET B O 1 ? ? +6330 ATOM N N . TRP B 2 256 ? -10.979 -34.634 -37.512 1.00 45.53 ? 257 TRP B N 1 ? ? +6331 ATOM C CA . TRP B 2 256 ? -10.391 -34.666 -38.843 1.00 45.42 ? 257 TRP B CA 1 ? ? +6332 ATOM C CB . TRP B 2 256 ? -9.257 -35.678 -38.902 1.00 45.15 ? 257 TRP B CB 1 ? ? +6333 ATOM C CG . TRP B 2 256 ? -8.330 -35.480 -40.074 1.00 44.81 ? 257 TRP B CG 1 ? ? +6334 ATOM C CD1 . TRP B 2 256 ? -8.084 -36.370 -41.074 1.00 44.92 ? 257 TRP B CD1 1 ? ? +6335 ATOM N NE1 . TRP B 2 256 ? -7.170 -35.848 -41.963 1.00 44.56 ? 257 TRP B NE1 1 ? ? +6336 ATOM C CE2 . TRP B 2 256 ? -6.806 -34.601 -41.544 1.00 44.18 ? 257 TRP B CE2 1 ? ? +6337 ATOM C CZ2 . TRP B 2 256 ? -5.937 -33.675 -42.122 1.00 43.76 ? 257 TRP B CZ2 1 ? ? +6338 ATOM C CH2 . TRP B 2 256 ? -5.781 -32.482 -41.481 1.00 43.46 ? 257 TRP B CH2 1 ? ? +6339 ATOM C CZ3 . TRP B 2 256 ? -6.459 -32.191 -40.292 1.00 43.55 ? 257 TRP B CZ3 1 ? ? +6340 ATOM C CE3 . TRP B 2 256 ? -7.321 -33.105 -39.713 1.00 43.94 ? 257 TRP B CE3 1 ? ? +6341 ATOM C CD2 . TRP B 2 256 ? -7.512 -34.339 -40.346 1.00 44.28 ? 257 TRP B CD2 1 ? ? +6342 ATOM C C . TRP B 2 256 ? -11.419 -34.957 -39.934 1.00 46.00 ? 257 TRP B C 1 ? ? +6343 ATOM O O . TRP B 2 256 ? -11.439 -34.292 -40.959 1.00 46.08 ? 257 TRP B O 1 ? ? +6344 ATOM N N . TYR B 2 257 ? -12.269 -35.960 -39.741 1.00 46.51 ? 258 TYR B N 1 ? ? +6345 ATOM C CA . TYR B 2 257 ? -13.272 -36.269 -40.751 1.00 47.09 ? 258 TYR B CA 1 ? ? +6346 ATOM C CB . TYR B 2 257 ? -13.734 -37.700 -40.591 1.00 47.60 ? 258 TYR B CB 1 ? ? +6347 ATOM C CG . TYR B 2 257 ? -12.585 -38.656 -40.677 1.00 47.47 ? 258 TYR B CG 1 ? ? +6348 ATOM C CD1 . TYR B 2 257 ? -11.731 -38.658 -41.783 1.00 47.31 ? 258 TYR B CD1 1 ? ? +6349 ATOM C CD2 . TYR B 2 257 ? -12.310 -39.537 -39.641 1.00 47.57 ? 258 TYR B CD2 1 ? ? +6350 ATOM C CE1 . TYR B 2 257 ? -10.629 -39.521 -41.849 1.00 47.06 ? 258 TYR B CE1 1 ? ? +6351 ATOM C CE2 . TYR B 2 257 ? -11.215 -40.401 -39.699 1.00 47.38 ? 258 TYR B CE2 1 ? ? +6352 ATOM C CZ . TYR B 2 257 ? -10.385 -40.388 -40.804 1.00 47.09 ? 258 TYR B CZ 1 ? ? +6353 ATOM O OH . TYR B 2 257 ? -9.368 -41.283 -40.842 1.00 46.92 ? 258 TYR B OH 1 ? ? +6354 ATOM C C . TYR B 2 257 ? -14.475 -35.329 -40.697 1.00 47.36 ? 258 TYR B C 1 ? ? +6355 ATOM O O . TYR B 2 257 ? -15.170 -35.148 -41.703 1.00 47.68 ? 258 TYR B O 1 ? ? +6356 ATOM N N . GLY B 2 258 ? -14.689 -34.732 -39.519 1.00 47.23 ? 259 GLY B N 1 ? ? +6357 ATOM C CA . GLY B 2 258 ? -15.823 -33.861 -39.272 1.00 47.55 ? 259 GLY B CA 1 ? ? +6358 ATOM C C . GLY B 2 258 ? -16.995 -34.624 -38.668 1.00 48.10 ? 259 GLY B C 1 ? ? +6359 ATOM O O . GLY B 2 258 ? -17.171 -35.803 -38.960 1.00 48.38 ? 259 GLY B O 1 ? ? +6360 ATOM N N . SER B 2 259 ? -17.760 -33.926 -37.815 1.00 48.24 ? 260 SER B N 1 ? ? +6361 ATOM C CA . SER B 2 259 ? -19.014 -34.418 -37.264 1.00 48.80 ? 260 SER B CA 1 ? ? +6362 ATOM C CB . SER B 2 259 ? -18.791 -35.356 -36.082 1.00 48.77 ? 260 SER B CB 1 ? ? +6363 ATOM O OG . SER B 2 259 ? -18.476 -34.658 -34.888 1.00 48.43 ? 260 SER B OG 1 ? ? +6364 ATOM C C . SER B 2 259 ? -19.840 -33.216 -36.831 1.00 48.98 ? 260 SER B C 1 ? ? +6365 ATOM O O . SER B 2 259 ? -19.367 -32.082 -36.918 1.00 48.57 ? 260 SER B O 1 ? ? +6366 ATOM N N . ALA B 2 260 ? -21.068 -33.485 -36.354 1.00 49.60 ? 261 ALA B N 1 ? ? +6367 ATOM C CA . ALA B 2 260 ? -21.942 -32.454 -35.831 1.00 49.82 ? 261 ALA B CA 1 ? ? +6368 ATOM C CB . ALA B 2 260 ? -23.293 -33.064 -35.428 1.00 50.62 ? 261 ALA B CB 1 ? ? +6369 ATOM C C . ALA B 2 260 ? -21.308 -31.719 -34.650 1.00 49.34 ? 261 ALA B C 1 ? ? +6370 ATOM O O . ALA B 2 260 ? -21.647 -30.581 -34.375 1.00 49.39 ? 261 ALA B O 1 ? ? +6371 ATOM N N . THR B 2 261 ? -20.391 -32.357 -33.929 1.00 48.99 ? 262 THR B N 1 ? ? +6372 ATOM C CA . THR B 2 261 ? -19.697 -31.672 -32.843 1.00 48.55 ? 262 THR B CA 1 ? ? +6373 ATOM C CB . THR B 2 261 ? -19.356 -32.642 -31.713 1.00 48.59 ? 262 THR B CB 1 ? ? +6374 ATOM O OG1 . THR B 2 261 ? -18.496 -33.634 -32.221 1.00 48.40 ? 262 THR B OG1 1 ? ? +6375 ATOM C CG2 . THR B 2 261 ? -20.595 -33.309 -31.156 1.00 49.34 ? 262 THR B CG2 1 ? ? +6376 ATOM C C . THR B 2 261 ? -18.426 -30.938 -33.256 1.00 47.79 ? 262 THR B C 1 ? ? +6377 ATOM O O . THR B 2 261 ? -17.813 -30.311 -32.408 1.00 47.51 ? 262 THR B O 1 ? ? +6378 ATOM N N . THR B 2 262 ? -18.052 -30.965 -34.540 1.00 47.58 ? 263 THR B N 1 ? ? +6379 ATOM C CA . THR B 2 262 ? -16.891 -30.196 -34.989 1.00 46.97 ? 263 THR B CA 1 ? ? +6380 ATOM C CB . THR B 2 262 ? -15.678 -31.107 -35.283 1.00 46.52 ? 263 THR B CB 1 ? ? +6381 ATOM O OG1 . THR B 2 262 ? -15.959 -31.921 -36.419 1.00 46.74 ? 263 THR B OG1 1 ? ? +6382 ATOM C CG2 . THR B 2 262 ? -15.316 -31.954 -34.104 1.00 46.45 ? 263 THR B CG2 1 ? ? +6383 ATOM C C . THR B 2 262 ? -17.194 -29.323 -36.202 1.00 47.08 ? 263 THR B C 1 ? ? +6384 ATOM O O . THR B 2 262 ? -16.631 -29.526 -37.276 1.00 46.76 ? 263 THR B O 1 ? ? +6385 ATOM N N . PRO B 2 263 ? -18.116 -28.338 -36.057 1.00 47.54 ? 264 PRO B N 1 ? ? +6386 ATOM C CA . PRO B 2 263 ? -18.643 -27.586 -37.196 1.00 47.75 ? 264 PRO B CA 1 ? ? +6387 ATOM C CB . PRO B 2 263 ? -19.794 -26.779 -36.580 1.00 48.18 ? 264 PRO B CB 1 ? ? +6388 ATOM C CG . PRO B 2 263 ? -19.390 -26.593 -35.163 1.00 47.93 ? 264 PRO B CG 1 ? ? +6389 ATOM C CD . PRO B 2 263 ? -18.693 -27.878 -34.782 1.00 47.74 ? 264 PRO B CD 1 ? ? +6390 ATOM C C . PRO B 2 263 ? -17.555 -26.712 -37.808 1.00 47.15 ? 264 PRO B C 1 ? ? +6391 ATOM O O . PRO B 2 263 ? -16.644 -26.291 -37.111 1.00 46.80 ? 264 PRO B O 1 ? ? +6392 ATOM N N . ILE B 2 264 ? -17.680 -26.451 -39.111 1.00 47.19 ? 265 ILE B N 1 ? ? +6393 ATOM C CA . ILE B 2 264 ? -16.637 -25.812 -39.892 1.00 46.69 ? 265 ILE B CA 1 ? ? +6394 ATOM C CB . ILE B 2 264 ? -16.827 -26.090 -41.404 1.00 46.99 ? 265 ILE B CB 1 ? ? +6395 ATOM C CG1 . ILE B 2 264 ? -18.105 -25.432 -41.963 1.00 47.60 ? 265 ILE B CG1 1 ? ? +6396 ATOM C CG2 . ILE B 2 264 ? -16.829 -27.587 -41.665 1.00 47.15 ? 265 ILE B CG2 1 ? ? +6397 ATOM C CD1 . ILE B 2 264 ? -18.192 -25.559 -43.484 1.00 47.87 ? 265 ILE B CD1 1 ? ? +6398 ATOM C C . ILE B 2 264 ? -16.515 -24.315 -39.623 1.00 46.38 ? 265 ILE B C 1 ? ? +6399 ATOM O O . ILE B 2 264 ? -15.450 -23.742 -39.854 1.00 45.79 ? 265 ILE B O 1 ? ? +6400 ATOM N N . GLU B 2 265 ? -17.594 -23.689 -39.132 1.00 46.62 ? 266 GLU B N 1 ? ? +6401 ATOM C CA . GLU B 2 265 ? -17.547 -22.270 -38.808 1.00 46.42 ? 266 GLU B CA 1 ? ? +6402 ATOM C CB . GLU B 2 265 ? -18.950 -21.666 -38.632 1.00 47.01 ? 266 GLU B CB 1 ? ? +6403 ATOM C CG . GLU B 2 265 ? -19.661 -21.493 -39.941 1.00 47.48 ? 266 GLU B CG 1 ? ? +6404 ATOM C CD . GLU B 2 265 ? -21.167 -21.440 -39.814 1.00 48.22 ? 266 GLU B CD 1 ? ? +6405 ATOM O OE1 . GLU B 2 265 ? -21.765 -22.470 -39.432 1.00 48.54 ? 266 GLU B OE1 1 ? ? +6406 ATOM O OE2 . GLU B 2 265 ? -21.741 -20.366 -40.090 1.00 48.50 ? 266 GLU B OE2 1 ? ? +6407 ATOM C C . GLU B 2 265 ? -16.754 -22.008 -37.539 1.00 45.88 ? 266 GLU B C 1 ? ? +6408 ATOM O O . GLU B 2 265 ? -16.355 -20.872 -37.299 1.00 45.65 ? 266 GLU B O 1 ? ? +6409 ATOM N N . LEU B 2 266 ? -16.574 -23.051 -36.720 1.00 45.73 ? 267 LEU B N 1 ? ? +6410 ATOM C CA . LEU B 2 266 ? -15.838 -22.941 -35.473 1.00 45.28 ? 267 LEU B CA 1 ? ? +6411 ATOM C CB . LEU B 2 266 ? -16.569 -23.694 -34.368 1.00 45.64 ? 267 LEU B CB 1 ? ? +6412 ATOM C CG . LEU B 2 266 ? -17.996 -23.247 -34.081 1.00 46.30 ? 267 LEU B CG 1 ? ? +6413 ATOM C CD1 . LEU B 2 266 ? -18.526 -23.928 -32.859 1.00 46.57 ? 267 LEU B CD1 1 ? ? +6414 ATOM C CD2 . LEU B 2 266 ? -18.078 -21.735 -33.905 1.00 46.25 ? 267 LEU B CD2 1 ? ? +6415 ATOM C C . LEU B 2 266 ? -14.403 -23.458 -35.592 1.00 44.65 ? 267 LEU B C 1 ? ? +6416 ATOM O O . LEU B 2 266 ? -13.521 -22.901 -34.958 1.00 44.25 ? 267 LEU B O 1 ? ? +6417 ATOM N N . PHE B 2 267 ? -14.163 -24.520 -36.373 1.00 44.57 ? 268 PHE B N 1 ? ? +6418 ATOM C CA . PHE B 2 267 ? -12.817 -25.081 -36.497 1.00 44.02 ? 268 PHE B CA 1 ? ? +6419 ATOM C CB . PHE B 2 267 ? -12.845 -26.553 -36.066 1.00 44.14 ? 268 PHE B CB 1 ? ? +6420 ATOM C CG . PHE B 2 267 ? -13.268 -26.738 -34.631 1.00 44.27 ? 268 PHE B CG 1 ? ? +6421 ATOM C CD1 . PHE B 2 267 ? -12.382 -26.514 -33.602 1.00 43.88 ? 268 PHE B CD1 1 ? ? +6422 ATOM C CD2 . PHE B 2 267 ? -14.569 -27.123 -34.315 1.00 44.80 ? 268 PHE B CD2 1 ? ? +6423 ATOM C CE1 . PHE B 2 267 ? -12.767 -26.682 -32.286 1.00 44.02 ? 268 PHE B CE1 1 ? ? +6424 ATOM C CE2 . PHE B 2 267 ? -14.954 -27.274 -33.001 1.00 44.93 ? 268 PHE B CE2 1 ? ? +6425 ATOM C CZ . PHE B 2 267 ? -14.048 -27.049 -31.989 1.00 44.56 ? 268 PHE B CZ 1 ? ? +6426 ATOM C C . PHE B 2 267 ? -12.189 -24.997 -37.893 1.00 43.77 ? 268 PHE B C 1 ? ? +6427 ATOM O O . PHE B 2 267 ? -11.000 -25.304 -38.075 1.00 43.34 ? 268 PHE B O 1 ? ? +6428 ATOM N N . GLY B 2 268 ? -13.018 -24.606 -38.876 1.00 44.01 ? 269 GLY B N 1 ? ? +6429 ATOM C CA . GLY B 2 268 ? -12.614 -24.477 -40.262 1.00 43.88 ? 269 GLY B CA 1 ? ? +6430 ATOM C C . GLY B 2 268 ? -13.010 -25.700 -41.071 1.00 44.15 ? 269 GLY B C 1 ? ? +6431 ATOM O O . GLY B 2 268 ? -13.485 -26.696 -40.532 1.00 44.34 ? 269 GLY B O 1 ? ? +6432 ATOM N N . PRO B 2 269 ? -12.839 -25.649 -42.403 1.00 44.22 ? 270 PRO B N 1 ? ? +6433 ATOM C CA . PRO B 2 269 ? -13.131 -26.798 -43.253 1.00 44.56 ? 270 PRO B CA 1 ? ? +6434 ATOM C CB . PRO B 2 269 ? -12.973 -26.236 -44.661 1.00 44.60 ? 270 PRO B CB 1 ? ? +6435 ATOM C CG . PRO B 2 269 ? -12.213 -25.000 -44.510 1.00 44.19 ? 270 PRO B CG 1 ? ? +6436 ATOM C CD . PRO B 2 269 ? -12.450 -24.460 -43.166 1.00 44.07 ? 270 PRO B CD 1 ? ? +6437 ATOM C C . PRO B 2 269 ? -12.243 -28.013 -43.031 1.00 44.40 ? 270 PRO B C 1 ? ? +6438 ATOM O O . PRO B 2 269 ? -11.180 -27.920 -42.430 1.00 44.00 ? 270 PRO B O 1 ? ? +6439 ATOM N N . THR B 2 270 ? -12.702 -29.166 -43.511 1.00 44.83 ? 271 THR B N 1 ? ? +6440 ATOM C CA . THR B 2 270 ? -11.901 -30.371 -43.453 1.00 44.74 ? 271 THR B CA 1 ? ? +6441 ATOM C CB . THR B 2 270 ? -12.739 -31.599 -43.259 1.00 45.12 ? 271 THR B CB 1 ? ? +6442 ATOM O OG1 . THR B 2 270 ? -13.410 -31.807 -44.475 1.00 45.53 ? 271 THR B OG1 1 ? ? +6443 ATOM C CG2 . THR B 2 270 ? -13.647 -31.475 -42.100 1.00 45.33 ? 271 THR B CG2 1 ? ? +6444 ATOM C C . THR B 2 270 ? -11.114 -30.490 -44.752 1.00 44.76 ? 271 THR B C 1 ? ? +6445 ATOM O O . THR B 2 270 ? -11.474 -29.877 -45.759 1.00 45.04 ? 271 THR B O 1 ? ? +6446 ATOM N N . ARG B 2 271 ? -10.084 -31.328 -44.736 1.00 44.58 ? 272 ARG B N 1 ? ? +6447 ATOM C CA . ARG B 2 271 ? -9.302 -31.539 -45.937 1.00 44.57 ? 272 ARG B CA 1 ? ? +6448 ATOM C CB . ARG B 2 271 ? -8.014 -32.348 -45.663 1.00 44.18 ? 272 ARG B CB 1 ? ? +6449 ATOM C CG . ARG B 2 271 ? -8.265 -33.787 -45.208 1.00 44.36 ? 272 ARG B CG 1 ? ? +6450 ATOM C CD . ARG B 2 271 ? -7.075 -34.647 -45.558 1.00 44.09 ? 272 ARG B CD 1 ? ? +6451 ATOM N NE . ARG B 2 271 ? -6.972 -34.797 -47.003 1.00 44.20 ? 272 ARG B NE 1 ? ? +6452 ATOM C CZ . ARG B 2 271 ? -5.858 -35.051 -47.659 1.00 43.93 ? 272 ARG B CZ 1 ? ? +6453 ATOM N NH1 . ARG B 2 271 ? -4.720 -35.260 -47.027 1.00 43.57 ? 272 ARG B NH1 1 ? ? +6454 ATOM N NH2 . ARG B 2 271 ? -5.882 -35.072 -48.986 1.00 44.07 ? 272 ARG B NH2 1 ? ? +6455 ATOM C C . ARG B 2 271 ? -10.151 -32.247 -46.978 1.00 45.19 ? 272 ARG B C 1 ? ? +6456 ATOM O O . ARG B 2 271 ? -10.017 -32.003 -48.164 1.00 45.29 ? 272 ARG B O 1 ? ? +6457 ATOM N N . TYR B 2 272 ? -11.063 -33.101 -46.524 1.00 45.79 ? 273 TYR B N 1 ? ? +6458 ATOM C CA . TYR B 2 272 ? -11.842 -33.922 -47.441 1.00 46.43 ? 273 TYR B CA 1 ? ? +6459 ATOM C CB . TYR B 2 272 ? -12.531 -35.055 -46.665 1.00 46.85 ? 273 TYR B CB 1 ? ? +6460 ATOM C CG . TYR B 2 272 ? -11.516 -35.891 -45.915 1.00 46.58 ? 273 TYR B CG 1 ? ? +6461 ATOM C CD1 . TYR B 2 272 ? -10.802 -36.897 -46.553 1.00 46.59 ? 273 TYR B CD1 1 ? ? +6462 ATOM C CD2 . TYR B 2 272 ? -11.216 -35.627 -44.589 1.00 46.35 ? 273 TYR B CD2 1 ? ? +6463 ATOM C CE1 . TYR B 2 272 ? -9.838 -37.644 -45.877 1.00 46.36 ? 273 TYR B CE1 1 ? ? +6464 ATOM C CE2 . TYR B 2 272 ? -10.235 -36.349 -43.907 1.00 46.10 ? 273 TYR B CE2 1 ? ? +6465 ATOM C CZ . TYR B 2 272 ? -9.550 -37.368 -44.549 1.00 46.13 ? 273 TYR B CZ 1 ? ? +6466 ATOM O OH . TYR B 2 272 ? -8.558 -38.076 -43.863 1.00 45.87 ? 273 TYR B OH 1 ? ? +6467 ATOM C C . TYR B 2 272 ? -12.790 -33.048 -48.266 1.00 46.83 ? 273 TYR B C 1 ? ? +6468 ATOM O O . TYR B 2 272 ? -13.121 -33.405 -49.394 1.00 47.19 ? 273 TYR B O 1 ? ? +6469 ATOM N N . GLN B 2 273 ? -13.140 -31.860 -47.761 1.00 46.83 ? 274 GLN B N 1 ? ? +6470 ATOM C CA . GLN B 2 273 ? -13.992 -30.955 -48.520 1.00 47.33 ? 274 GLN B CA 1 ? ? +6471 ATOM C CB . GLN B 2 273 ? -14.558 -29.850 -47.605 1.00 47.41 ? 274 GLN B CB 1 ? ? +6472 ATOM C CG . GLN B 2 273 ? -15.532 -30.429 -46.577 1.00 47.79 ? 274 GLN B CG 1 ? ? +6473 ATOM C CD . GLN B 2 273 ? -16.010 -29.417 -45.571 1.00 47.79 ? 274 GLN B CD 1 ? ? +6474 ATOM O OE1 . GLN B 2 273 ? -15.238 -28.645 -44.971 1.00 47.26 ? 274 GLN B OE1 1 ? ? +6475 ATOM N NE2 . GLN B 2 273 ? -17.311 -29.390 -45.373 1.00 48.33 ? 274 GLN B NE2 1 ? ? +6476 ATOM C C . GLN B 2 273 ? -13.286 -30.369 -49.740 1.00 47.15 ? 274 GLN B C 1 ? ? +6477 ATOM O O . GLN B 2 273 ? -13.925 -30.082 -50.757 1.00 47.53 ? 274 GLN B O 1 ? ? +6478 ATOM N N . TRP B 2 274 ? -11.966 -30.220 -49.637 1.00 46.60 ? 275 TRP B N 1 ? ? +6479 ATOM C CA . TRP B 2 274 ? -11.145 -29.835 -50.772 1.00 46.50 ? 275 TRP B CA 1 ? ? +6480 ATOM C CB . TRP B 2 274 ? -9.787 -29.284 -50.307 1.00 45.86 ? 275 TRP B CB 1 ? ? +6481 ATOM C CG . TRP B 2 274 ? -8.888 -28.956 -51.448 1.00 45.73 ? 275 TRP B CG 1 ? ? +6482 ATOM C CD1 . TRP B 2 274 ? -7.846 -29.707 -51.912 1.00 45.54 ? 275 TRP B CD1 1 ? ? +6483 ATOM N NE1 . TRP B 2 274 ? -7.259 -29.086 -52.986 1.00 45.45 ? 275 TRP B NE1 1 ? ? +6484 ATOM C CE2 . TRP B 2 274 ? -7.886 -27.899 -53.216 1.00 45.56 ? 275 TRP B CE2 1 ? ? +6485 ATOM C CZ2 . TRP B 2 274 ? -7.654 -26.943 -54.185 1.00 45.59 ? 275 TRP B CZ2 1 ? ? +6486 ATOM C CH2 . TRP B 2 274 ? -8.458 -25.837 -54.191 1.00 45.82 ? 275 TRP B CH2 1 ? ? +6487 ATOM C CZ3 . TRP B 2 274 ? -9.498 -25.687 -53.269 1.00 46.00 ? 275 TRP B CZ3 1 ? ? +6488 ATOM C CE3 . TRP B 2 274 ? -9.747 -26.649 -52.305 1.00 45.98 ? 275 TRP B CE3 1 ? ? +6489 ATOM C CD2 . TRP B 2 274 ? -8.924 -27.780 -52.264 1.00 45.78 ? 275 TRP B CD2 1 ? ? +6490 ATOM C C . TRP B 2 274 ? -10.952 -31.008 -51.727 1.00 46.83 ? 275 TRP B C 1 ? ? +6491 ATOM O O . TRP B 2 274 ? -11.139 -30.854 -52.931 1.00 47.15 ? 275 TRP B O 1 ? ? +6492 ATOM N N . ASP B 2 275 ? -10.610 -32.184 -51.179 1.00 46.90 ? 276 ASP B N 1 ? ? +6493 ATOM C CA . ASP B 2 275 ? -10.369 -33.380 -51.975 1.00 47.23 ? 276 ASP B CA 1 ? ? +6494 ATOM C CB . ASP B 2 275 ? -10.136 -34.599 -51.079 1.00 47.15 ? 276 ASP B CB 1 ? ? +6495 ATOM C CG . ASP B 2 275 ? -8.873 -34.581 -50.251 1.00 46.57 ? 276 ASP B CG 1 ? ? +6496 ATOM O OD1 . ASP B 2 275 ? -7.884 -33.935 -50.678 1.00 46.27 ? 276 ASP B OD1 1 ? ? +6497 ATOM O OD2 . ASP B 2 275 ? -8.878 -35.181 -49.151 1.00 46.47 ? 276 ASP B OD2 1 ? ? +6498 ATOM C C . ASP B 2 275 ? -11.529 -33.703 -52.915 1.00 48.07 ? 276 ASP B C 1 ? ? +6499 ATOM O O . ASP B 2 275 ? -11.299 -34.081 -54.061 1.00 48.34 ? 276 ASP B O 1 ? ? +6500 ATOM N N . SER B 2 276 ? -12.768 -33.571 -52.425 1.00 48.61 ? 277 SER B N 1 ? ? +6501 ATOM C CA . SER B 2 276 ? -13.958 -33.863 -53.226 1.00 49.43 ? 277 SER B CA 1 ? ? +6502 ATOM C CB . SER B 2 276 ? -14.989 -34.597 -52.376 1.00 49.65 ? 277 SER B CB 1 ? ? +6503 ATOM O OG . SER B 2 276 ? -15.294 -33.823 -51.233 1.00 49.39 ? 277 SER B OG 1 ? ? +6504 ATOM C C . SER B 2 276 ? -14.617 -32.646 -53.875 1.00 49.99 ? 277 SER B C 1 ? ? +6505 ATOM O O . SER B 2 276 ? -15.634 -32.791 -54.537 1.00 50.64 ? 277 SER B O 1 ? ? +6506 ATOM N N . SER B 2 277 ? -14.021 -31.456 -53.724 1.00 50.01 ? 278 SER B N 1 ? ? +6507 ATOM C CA . SER B 2 277 ? -14.568 -30.228 -54.290 1.00 50.56 ? 278 SER B CA 1 ? ? +6508 ATOM C CB . SER B 2 277 ? -14.525 -30.254 -55.816 1.00 50.90 ? 278 SER B CB 1 ? ? +6509 ATOM O OG . SER B 2 277 ? -13.262 -30.661 -56.312 1.00 50.70 ? 278 SER B OG 1 ? ? +6510 ATOM C C . SER B 2 277 ? -16.003 -29.998 -53.813 1.00 51.43 ? 278 SER B C 1 ? ? +6511 ATOM O O . SER B 2 277 ? -16.878 -29.581 -54.576 1.00 52.04 ? 278 SER B O 1 ? ? +6512 ATOM N N . TYR B 2 278 ? -16.224 -30.280 -52.527 1.00 51.62 ? 279 TYR B N 1 ? ? +6513 ATOM C CA . TYR B 2 278 ? -17.521 -30.138 -51.892 1.00 52.31 ? 279 TYR B CA 1 ? ? +6514 ATOM C CB . TYR B 2 278 ? -17.323 -30.409 -50.404 1.00 51.93 ? 279 TYR B CB 1 ? ? +6515 ATOM C CG . TYR B 2 278 ? -18.575 -30.348 -49.571 1.00 52.23 ? 279 TYR B CG 1 ? ? +6516 ATOM C CD1 . TYR B 2 278 ? -19.542 -31.337 -49.661 1.00 52.78 ? 279 TYR B CD1 1 ? ? +6517 ATOM C CD2 . TYR B 2 278 ? -18.783 -29.313 -48.673 1.00 51.97 ? 279 TYR B CD2 1 ? ? +6518 ATOM C CE1 . TYR B 2 278 ? -20.687 -31.292 -48.886 1.00 53.19 ? 279 TYR B CE1 1 ? ? +6519 ATOM C CE2 . TYR B 2 278 ? -19.915 -29.265 -47.880 1.00 52.43 ? 279 TYR B CE2 1 ? ? +6520 ATOM C CZ . TYR B 2 278 ? -20.873 -30.251 -48.001 1.00 53.04 ? 279 TYR B CZ 1 ? ? +6521 ATOM O OH . TYR B 2 278 ? -22.008 -30.200 -47.234 1.00 53.68 ? 279 TYR B OH 1 ? ? +6522 ATOM C C . TYR B 2 278 ? -18.118 -28.756 -52.137 1.00 52.85 ? 279 TYR B C 1 ? ? +6523 ATOM O O . TYR B 2 278 ? -19.209 -28.639 -52.659 1.00 53.63 ? 279 TYR B O 1 ? ? +6524 ATOM N N . PHE B 2 279 ? -17.372 -27.707 -51.793 1.00 52.91 ? 280 PHE B N 1 ? ? +6525 ATOM C CA . PHE B 2 279 ? -17.826 -26.334 -51.950 1.00 53.32 ? 280 PHE B CA 1 ? ? +6526 ATOM C CB . PHE B 2 279 ? -16.919 -25.404 -51.150 1.00 52.69 ? 280 PHE B CB 1 ? ? +6527 ATOM C CG . PHE B 2 279 ? -16.963 -25.691 -49.672 1.00 52.41 ? 280 PHE B CG 1 ? ? +6528 ATOM C CD1 . PHE B 2 279 ? -18.081 -25.359 -48.918 1.00 52.84 ? 280 PHE B CD1 1 ? ? +6529 ATOM C CD2 . PHE B 2 279 ? -15.914 -26.331 -49.044 1.00 51.83 ? 280 PHE B CD2 1 ? ? +6530 ATOM C CE1 . PHE B 2 279 ? -18.130 -25.639 -47.554 1.00 52.68 ? 280 PHE B CE1 1 ? ? +6531 ATOM C CE2 . PHE B 2 279 ? -15.951 -26.594 -47.682 1.00 51.76 ? 280 PHE B CE2 1 ? ? +6532 ATOM C CZ . PHE B 2 279 ? -17.066 -26.257 -46.944 1.00 52.18 ? 280 PHE B CZ 1 ? ? +6533 ATOM C C . PHE B 2 279 ? -17.908 -25.888 -53.409 1.00 54.21 ? 280 PHE B C 1 ? ? +6534 ATOM O O . PHE B 2 279 ? -18.886 -25.247 -53.793 1.00 55.11 ? 280 PHE B O 1 ? ? +6535 ATOM N N . GLN B 2 280 ? -16.921 -26.265 -54.235 1.00 54.27 ? 281 GLN B N 1 ? ? +6536 ATOM C CA . GLN B 2 280 ? -16.955 -25.967 -55.662 1.00 54.88 ? 281 GLN B CA 1 ? ? +6537 ATOM C CB . GLN B 2 280 ? -15.746 -26.567 -56.387 1.00 55.17 ? 281 GLN B CB 1 ? ? +6538 ATOM C CG . GLN B 2 280 ? -15.790 -26.412 -57.927 1.00 56.15 ? 281 GLN B CG 1 ? ? +6539 ATOM C CD . GLN B 2 280 ? -14.434 -26.753 -58.563 1.00 56.53 ? 281 GLN B CD 1 ? ? +6540 ATOM O OE1 . GLN B 2 280 ? -13.853 -27.834 -58.335 1.00 57.38 ? 281 GLN B OE1 1 ? ? +6541 ATOM N NE2 . GLN B 2 280 ? -13.878 -25.848 -59.369 1.00 56.41 ? 281 GLN B NE2 1 ? ? +6542 ATOM C C . GLN B 2 280 ? -18.231 -26.456 -56.346 1.00 55.28 ? 281 GLN B C 1 ? ? +6543 ATOM O O . GLN B 2 280 ? -18.793 -25.746 -57.177 1.00 55.41 ? 281 GLN B O 1 ? ? +6544 ATOM N N . GLN B 2 281 ? -18.661 -27.677 -56.010 1.00 55.29 ? 282 GLN B N 1 ? ? +6545 ATOM C CA . GLN B 2 281 ? -19.874 -28.251 -56.577 1.00 55.98 ? 282 GLN B CA 1 ? ? +6546 ATOM C CB . GLN B 2 281 ? -20.056 -29.693 -56.119 1.00 56.33 ? 282 GLN B CB 1 ? ? +6547 ATOM C CG . GLN B 2 281 ? -19.181 -30.668 -56.870 1.00 56.48 ? 282 GLN B CG 1 ? ? +6548 ATOM C CD . GLN B 2 281 ? -19.431 -32.063 -56.378 1.00 56.98 ? 282 GLN B CD 1 ? ? +6549 ATOM O OE1 . GLN B 2 281 ? -20.544 -32.594 -56.567 1.00 57.81 ? 282 GLN B OE1 1 ? ? +6550 ATOM N NE2 . GLN B 2 281 ? -18.433 -32.697 -55.724 1.00 56.46 ? 282 GLN B NE2 1 ? ? +6551 ATOM C C . GLN B 2 281 ? -21.139 -27.465 -56.233 1.00 55.87 ? 282 GLN B C 1 ? ? +6552 ATOM O O . GLN B 2 281 ? -21.979 -27.266 -57.089 1.00 56.22 ? 282 GLN B O 1 ? ? +6553 ATOM N N . GLU B 2 282 ? -21.252 -27.023 -54.981 1.00 55.43 ? 283 GLU B N 1 ? ? +6554 ATOM C CA . GLU B 2 282 ? -22.375 -26.214 -54.543 1.00 55.84 ? 283 GLU B CA 1 ? ? +6555 ATOM C CB . GLU B 2 282 ? -22.353 -26.058 -53.016 1.00 55.23 ? 283 GLU B CB 1 ? ? +6556 ATOM C CG . GLU B 2 282 ? -23.507 -25.239 -52.451 1.00 55.56 ? 283 GLU B CG 1 ? ? +6557 ATOM C CD . GLU B 2 282 ? -24.900 -25.748 -52.790 1.00 56.35 ? 283 GLU B CD 1 ? ? +6558 ATOM O OE1 . GLU B 2 282 ? -25.036 -26.901 -53.273 1.00 56.36 ? 283 GLU B OE1 1 ? ? +6559 ATOM O OE2 . GLU B 2 282 ? -25.855 -24.962 -52.590 1.00 56.72 ? 283 GLU B OE2 1 ? ? +6560 ATOM C C . GLU B 2 282 ? -22.389 -24.848 -55.231 1.00 56.27 ? 283 GLU B C 1 ? ? +6561 ATOM O O . GLU B 2 282 ? -23.446 -24.353 -55.624 1.00 56.79 ? 283 GLU B O 1 ? ? +6562 ATOM N N . ILE B 2 283 ? -21.204 -24.245 -55.365 1.00 56.00 ? 284 ILE B N 1 ? ? +6563 ATOM C CA . ILE B 2 283 ? -21.048 -23.004 -56.108 1.00 56.36 ? 284 ILE B CA 1 ? ? +6564 ATOM C CB . ILE B 2 283 ? -19.561 -22.527 -56.026 1.00 55.35 ? 284 ILE B CB 1 ? ? +6565 ATOM C CG1 . ILE B 2 283 ? -19.272 -21.963 -54.626 1.00 54.85 ? 284 ILE B CG1 1 ? ? +6566 ATOM C CG2 . ILE B 2 283 ? -19.197 -21.507 -57.122 1.00 55.19 ? 284 ILE B CG2 1 ? ? +6567 ATOM C CD1 . ILE B 2 283 ? -17.747 -21.972 -54.251 1.00 54.17 ? 284 ILE B CD1 1 ? ? +6568 ATOM C C . ILE B 2 283 ? -21.550 -23.150 -57.544 1.00 57.50 ? 284 ILE B C 1 ? ? +6569 ATOM O O . ILE B 2 283 ? -22.297 -22.300 -58.016 1.00 57.75 ? 284 ILE B O 1 ? ? +6570 ATOM N N . ASN B 2 284 ? -21.126 -24.224 -58.223 1.00 58.42 ? 285 ASN B N 1 ? ? +6571 ATOM C CA . ASN B 2 284 ? -21.510 -24.469 -59.604 1.00 60.08 ? 285 ASN B CA 1 ? ? +6572 ATOM C CB . ASN B 2 284 ? -20.738 -25.625 -60.241 1.00 61.20 ? 285 ASN B CB 1 ? ? +6573 ATOM C CG . ASN B 2 284 ? -19.286 -25.326 -60.554 1.00 62.62 ? 285 ASN B CG 1 ? ? +6574 ATOM O OD1 . ASN B 2 284 ? -18.836 -24.159 -60.631 1.00 64.29 ? 285 ASN B OD1 1 ? ? +6575 ATOM N ND2 . ASN B 2 284 ? -18.487 -26.389 -60.749 1.00 63.37 ? 285 ASN B ND2 1 ? ? +6576 ATOM C C . ASN B 2 284 ? -23.005 -24.754 -59.699 1.00 60.71 ? 285 ASN B C 1 ? ? +6577 ATOM O O . ASN B 2 284 ? -23.634 -24.274 -60.626 1.00 61.07 ? 285 ASN B O 1 ? ? +6578 ATOM N N . ARG B 2 285 ? -23.543 -25.531 -58.747 1.00 60.95 ? 286 ARG B N 1 ? ? +6579 ATOM C CA . ARG B 2 285 ? -24.970 -25.783 -58.657 1.00 62.20 ? 286 ARG B CA 1 ? ? +6580 ATOM C CB . ARG B 2 285 ? -25.316 -26.659 -57.422 1.00 62.24 ? 286 ARG B CB 1 ? ? +6581 ATOM C CG . ARG B 2 285 ? -26.813 -27.086 -57.401 1.00 63.43 ? 286 ARG B CG 1 ? ? +6582 ATOM C CD . ARG B 2 285 ? -27.289 -27.705 -56.082 1.00 63.53 ? 286 ARG B CD 1 ? ? +6583 ATOM N NE . ARG B 2 285 ? -27.392 -26.729 -54.998 1.00 63.31 ? 286 ARG B NE 1 ? ? +6584 ATOM C CZ . ARG B 2 285 ? -28.312 -25.775 -54.914 1.00 63.98 ? 286 ARG B CZ 1 ? ? +6585 ATOM N NH1 . ARG B 2 285 ? -29.445 -25.841 -55.603 1.00 65.21 ? 286 ARG B NH1 1 ? ? +6586 ATOM N NH2 . ARG B 2 285 ? -28.109 -24.748 -54.091 1.00 63.47 ? 286 ARG B NH2 1 ? ? +6587 ATOM C C . ARG B 2 285 ? -25.739 -24.456 -58.628 1.00 62.82 ? 286 ARG B C 1 ? ? +6588 ATOM O O . ARG B 2 285 ? -26.684 -24.260 -59.390 1.00 63.09 ? 286 ARG B O 1 ? ? +6589 ATOM N N . ARG B 2 286 ? -25.309 -23.528 -57.766 1.00 62.89 ? 287 ARG B N 1 ? ? +6590 ATOM C CA . ARG B 2 286 ? -25.983 -22.245 -57.632 1.00 63.74 ? 287 ARG B CA 1 ? ? +6591 ATOM C CB . ARG B 2 286 ? -25.398 -21.445 -56.463 1.00 62.51 ? 287 ARG B CB 1 ? ? +6592 ATOM C CG . ARG B 2 286 ? -25.737 -22.097 -55.151 1.00 62.07 ? 287 ARG B CG 1 ? ? +6593 ATOM C CD . ARG B 2 286 ? -25.566 -21.177 -54.001 1.00 61.43 ? 287 ARG B CD 1 ? ? +6594 ATOM N NE . ARG B 2 286 ? -25.715 -21.903 -52.746 1.00 60.84 ? 287 ARG B NE 1 ? ? +6595 ATOM C CZ . ARG B 2 286 ? -25.851 -21.318 -51.566 1.00 60.14 ? 287 ARG B CZ 1 ? ? +6596 ATOM N NH1 . ARG B 2 286 ? -25.897 -19.998 -51.445 1.00 59.78 ? 287 ARG B NH1 1 ? ? +6597 ATOM N NH2 . ARG B 2 286 ? -25.952 -22.076 -50.479 1.00 59.98 ? 287 ARG B NH2 1 ? ? +6598 ATOM C C . ARG B 2 286 ? -25.930 -21.407 -58.905 1.00 65.13 ? 287 ARG B C 1 ? ? +6599 ATOM O O . ARG B 2 286 ? -26.956 -20.893 -59.353 1.00 66.15 ? 287 ARG B O 1 ? ? +6600 ATOM N N . VAL B 2 287 ? -24.730 -21.291 -59.485 1.00 65.29 ? 288 VAL B N 1 ? ? +6601 ATOM C CA . VAL B 2 287 ? -24.543 -20.559 -60.728 1.00 66.23 ? 288 VAL B CA 1 ? ? +6602 ATOM C CB . VAL B 2 287 ? -23.029 -20.506 -61.099 1.00 64.75 ? 288 VAL B CB 1 ? ? +6603 ATOM C CG1 . VAL B 2 287 ? -22.802 -20.007 -62.521 1.00 64.86 ? 288 VAL B CG1 1 ? ? +6604 ATOM C CG2 . VAL B 2 287 ? -22.255 -19.644 -60.102 1.00 64.02 ? 288 VAL B CG2 1 ? ? +6605 ATOM C C . VAL B 2 287 ? -25.414 -21.106 -61.864 1.00 68.27 ? 288 VAL B C 1 ? ? +6606 ATOM O O . VAL B 2 287 ? -25.979 -20.314 -62.607 1.00 67.92 ? 288 VAL B O 1 ? ? +6607 ATOM N N . GLN B 2 288 ? -25.511 -22.442 -61.994 1.00 71.16 ? 289 GLN B N 1 ? ? +6608 ATOM C CA . GLN B 2 288 ? -26.385 -23.085 -62.970 1.00 75.10 ? 289 GLN B CA 1 ? ? +6609 ATOM C CB . GLN B 2 288 ? -26.371 -24.638 -62.877 1.00 78.77 ? 289 GLN B CB 1 ? ? +6610 ATOM C CG . GLN B 2 288 ? -25.034 -25.327 -63.039 1.00 81.68 ? 289 GLN B CG 1 ? ? +6611 ATOM C CD . GLN B 2 288 ? -24.299 -24.799 -64.209 1.00 86.62 ? 289 GLN B CD 1 ? ? +6612 ATOM O OE1 . GLN B 2 288 ? -23.932 -23.620 -64.244 1.00 89.31 ? 289 GLN B OE1 1 ? ? +6613 ATOM N NE2 . GLN B 2 288 ? -24.075 -25.653 -65.195 1.00 91.22 ? 289 GLN B NE2 1 ? ? +6614 ATOM C C . GLN B 2 288 ? -27.845 -22.685 -62.780 1.00 75.08 ? 289 GLN B C 1 ? ? +6615 ATOM O O . GLN B 2 288 ? -28.534 -22.369 -63.747 1.00 75.83 ? 289 GLN B O 1 ? ? +6616 ATOM N N . ALA B 2 289 ? -28.301 -22.756 -61.524 1.00 74.24 ? 290 ALA B N 1 ? ? +6617 ATOM C CA . ALA B 2 289 ? -29.658 -22.387 -61.166 1.00 74.66 ? 290 ALA B CA 1 ? ? +6618 ATOM C CB . ALA B 2 289 ? -29.879 -22.557 -59.671 1.00 74.01 ? 290 ALA B CB 1 ? ? +6619 ATOM C C . ALA B 2 289 ? -29.959 -20.952 -61.590 1.00 75.30 ? 290 ALA B C 1 ? ? +6620 ATOM O O . ALA B 2 289 ? -31.054 -20.670 -62.069 1.00 76.73 ? 290 ALA B O 1 ? ? +6621 ATOM N N . SER B 2 290 ? -28.981 -20.054 -61.419 1.00 74.26 ? 291 SER B N 1 ? ? +6622 ATOM C CA . SER B 2 290 ? -29.139 -18.675 -61.854 1.00 74.36 ? 291 SER B CA 1 ? ? +6623 ATOM C CB . SER B 2 290 ? -28.042 -17.794 -61.282 1.00 72.64 ? 291 SER B CB 1 ? ? +6624 ATOM O OG . SER B 2 290 ? -28.380 -17.442 -59.954 1.00 72.06 ? 291 SER B OG 1 ? ? +6625 ATOM C C . SER B 2 290 ? -29.184 -18.541 -63.372 1.00 75.14 ? 291 SER B C 1 ? ? +6626 ATOM O O . SER B 2 290 ? -30.089 -17.899 -63.900 1.00 77.51 ? 291 SER B O 1 ? ? +6627 ATOM N N . LEU B 2 291 ? -28.213 -19.156 -64.058 1.00 74.67 ? 292 LEU B N 1 ? ? +6628 ATOM C CA . LEU B 2 291 ? -28.145 -19.117 -65.511 1.00 75.65 ? 292 LEU B CA 1 ? ? +6629 ATOM C CB . LEU B 2 291 ? -26.956 -19.925 -66.032 1.00 74.83 ? 292 LEU B CB 1 ? ? +6630 ATOM C CG . LEU B 2 291 ? -25.570 -19.323 -65.709 1.00 74.49 ? 292 LEU B CG 1 ? ? +6631 ATOM C CD1 . LEU B 2 291 ? -24.425 -20.197 -66.230 1.00 73.82 ? 292 LEU B CD1 1 ? ? +6632 ATOM C CD2 . LEU B 2 291 ? -25.445 -17.920 -66.255 1.00 74.65 ? 292 LEU B CD2 1 ? ? +6633 ATOM C C . LEU B 2 291 ? -29.438 -19.646 -66.123 1.00 78.48 ? 292 LEU B C 1 ? ? +6634 ATOM O O . LEU B 2 291 ? -30.016 -19.002 -66.998 1.00 79.60 ? 292 LEU B O 1 ? ? +6635 ATOM N N . ALA B 2 292 ? -29.891 -20.804 -65.624 1.00 79.94 ? 293 ALA B N 1 ? ? +6636 ATOM C CA . ALA B 2 292 ? -31.110 -21.443 -66.092 1.00 82.06 ? 293 ALA B CA 1 ? ? +6637 ATOM C CB . ALA B 2 292 ? -31.320 -22.753 -65.346 1.00 82.09 ? 293 ALA B CB 1 ? ? +6638 ATOM C C . ALA B 2 292 ? -32.356 -20.563 -65.959 1.00 84.16 ? 293 ALA B C 1 ? ? +6639 ATOM O O . ALA B 2 292 ? -33.290 -20.696 -66.747 1.00 85.04 ? 293 ALA B O 1 ? ? +6640 ATOM N N . SER B 2 293 ? -32.372 -19.675 -64.956 1.00 84.93 ? 294 SER B N 1 ? ? +6641 ATOM C CA . SER B 2 293 ? -33.467 -18.735 -64.776 1.00 86.78 ? 294 SER B CA 1 ? ? +6642 ATOM C CB . SER B 2 293 ? -33.769 -18.558 -63.294 1.00 86.70 ? 294 SER B CB 1 ? ? +6643 ATOM O OG . SER B 2 293 ? -32.721 -17.832 -62.677 1.00 88.15 ? 294 SER B OG 1 ? ? +6644 ATOM C C . SER B 2 293 ? -33.179 -17.374 -65.413 1.00 88.05 ? 294 SER B C 1 ? ? +6645 ATOM O O . SER B 2 293 ? -33.764 -16.367 -65.012 1.00 88.91 ? 294 SER B O 1 ? ? +6646 ATOM N N . GLY B 2 294 ? -32.250 -17.343 -66.380 1.00 88.48 ? 295 GLY B N 1 ? ? +6647 ATOM C CA . GLY B 2 294 ? -32.072 -16.189 -67.251 1.00 87.79 ? 295 GLY B CA 1 ? ? +6648 ATOM C C . GLY B 2 294 ? -31.036 -15.144 -66.832 1.00 85.50 ? 295 GLY B C 1 ? ? +6649 ATOM O O . GLY B 2 294 ? -30.744 -14.232 -67.603 1.00 85.01 ? 295 GLY B O 1 ? ? +6650 ATOM N N . ALA B 2 295 ? -30.481 -15.269 -65.622 1.00 83.08 ? 296 ALA B N 1 ? ? +6651 ATOM C CA . ALA B 2 295 ? -29.507 -14.302 -65.139 1.00 81.64 ? 296 ALA B CA 1 ? ? +6652 ATOM C CB . ALA B 2 295 ? -29.162 -14.572 -63.680 1.00 81.89 ? 296 ALA B CB 1 ? ? +6653 ATOM C C . ALA B 2 295 ? -28.243 -14.331 -65.995 1.00 78.30 ? 296 ALA B C 1 ? ? +6654 ATOM O O . ALA B 2 295 ? -27.916 -15.358 -66.586 1.00 78.20 ? 296 ALA B O 1 ? ? +6655 ATOM N N . THR B 2 296 ? -27.553 -13.191 -66.067 1.00 76.15 ? 297 THR B N 1 ? ? +6656 ATOM C CA . THR B 2 296 ? -26.299 -13.091 -66.795 1.00 75.30 ? 297 THR B CA 1 ? ? +6657 ATOM C CB . THR B 2 296 ? -25.910 -11.608 -67.112 1.00 75.16 ? 297 THR B CB 1 ? ? +6658 ATOM O OG1 . THR B 2 296 ? -25.566 -10.893 -65.911 1.00 74.17 ? 297 THR B OG1 1 ? ? +6659 ATOM C CG2 . THR B 2 296 ? -26.991 -10.860 -67.830 1.00 76.08 ? 297 THR B CG2 1 ? ? +6660 ATOM C C . THR B 2 296 ? -25.182 -13.768 -65.999 1.00 73.83 ? 297 THR B C 1 ? ? +6661 ATOM O O . THR B 2 296 ? -25.341 -14.082 -64.820 1.00 73.05 ? 297 THR B O 1 ? ? +6662 ATOM N N . LEU B 2 297 ? -24.033 -13.954 -66.645 1.00 73.19 ? 298 LEU B N 1 ? ? +6663 ATOM C CA . LEU B 2 297 ? -22.899 -14.601 -66.009 1.00 72.90 ? 298 LEU B CA 1 ? ? +6664 ATOM C CB . LEU B 2 297 ? -21.799 -14.777 -67.065 1.00 73.50 ? 298 LEU B CB 1 ? ? +6665 ATOM C CG . LEU B 2 297 ? -20.929 -16.020 -67.011 1.00 73.17 ? 298 LEU B CG 1 ? ? +6666 ATOM C CD1 . LEU B 2 297 ? -21.726 -17.285 -66.750 1.00 73.23 ? 298 LEU B CD1 1 ? ? +6667 ATOM C CD2 . LEU B 2 297 ? -20.197 -16.190 -68.335 1.00 73.39 ? 298 LEU B CD2 1 ? ? +6668 ATOM C C . LEU B 2 297 ? -22.430 -13.772 -64.813 1.00 71.65 ? 298 LEU B C 1 ? ? +6669 ATOM O O . LEU B 2 297 ? -22.057 -14.314 -63.775 1.00 69.58 ? 298 LEU B O 1 ? ? +6670 ATOM N N . GLU B 2 298 ? -22.525 -12.446 -64.958 1.00 72.33 ? 299 GLU B N 1 ? ? +6671 ATOM C CA . GLU B 2 298 ? -22.129 -11.508 -63.922 1.00 72.10 ? 299 GLU B CA 1 ? ? +6672 ATOM C CB . GLU B 2 298 ? -22.076 -10.082 -64.509 1.00 75.63 ? 299 GLU B CB 1 ? ? +6673 ATOM C CG . GLU B 2 298 ? -21.162 -10.018 -65.729 1.00 79.16 ? 299 GLU B CG 1 ? ? +6674 ATOM C CD . GLU B 2 298 ? -20.772 -8.652 -66.244 1.00 82.56 ? 299 GLU B CD 1 ? ? +6675 ATOM O OE1 . GLU B 2 298 ? -21.272 -7.636 -65.706 1.00 84.39 ? 299 GLU B OE1 1 ? ? +6676 ATOM O OE2 . GLU B 2 298 ? -19.955 -8.609 -67.196 1.00 84.53 ? 299 GLU B OE2 1 ? ? +6677 ATOM C C . GLU B 2 298 ? -23.070 -11.572 -62.726 1.00 69.78 ? 299 GLU B C 1 ? ? +6678 ATOM O O . GLU B 2 298 ? -22.630 -11.535 -61.584 1.00 68.20 ? 299 GLU B O 1 ? ? +6679 ATOM N N . GLU B 2 299 ? -24.371 -11.669 -63.004 1.00 69.71 ? 300 GLU B N 1 ? ? +6680 ATOM C CA . GLU B 2 299 ? -25.378 -11.753 -61.962 1.00 68.72 ? 300 GLU B CA 1 ? ? +6681 ATOM C CB . GLU B 2 299 ? -26.771 -11.600 -62.579 1.00 70.77 ? 300 GLU B CB 1 ? ? +6682 ATOM C CG . GLU B 2 299 ? -27.065 -10.192 -63.083 1.00 72.34 ? 300 GLU B CG 1 ? ? +6683 ATOM C CD . GLU B 2 299 ? -28.258 -10.056 -64.026 1.00 74.60 ? 300 GLU B CD 1 ? ? +6684 ATOM O OE1 . GLU B 2 299 ? -28.915 -11.074 -64.358 1.00 75.21 ? 300 GLU B OE1 1 ? ? +6685 ATOM O OE2 . GLU B 2 299 ? -28.503 -8.916 -64.475 1.00 76.20 ? 300 GLU B OE2 1 ? ? +6686 ATOM C C . GLU B 2 299 ? -25.247 -13.066 -61.194 1.00 66.29 ? 300 GLU B C 1 ? ? +6687 ATOM O O . GLU B 2 299 ? -25.283 -13.065 -59.967 1.00 65.40 ? 300 GLU B O 1 ? ? +6688 ATOM N N . ALA B 2 300 ? -25.071 -14.171 -61.929 1.00 64.64 ? 301 ALA B N 1 ? ? +6689 ATOM C CA . ALA B 2 300 ? -24.976 -15.496 -61.337 1.00 63.34 ? 301 ALA B CA 1 ? ? +6690 ATOM C CB . ALA B 2 300 ? -24.817 -16.548 -62.419 1.00 63.48 ? 301 ALA B CB 1 ? ? +6691 ATOM C C . ALA B 2 300 ? -23.828 -15.612 -60.340 1.00 61.84 ? 301 ALA B C 1 ? ? +6692 ATOM O O . ALA B 2 300 ? -24.044 -16.086 -59.228 1.00 61.78 ? 301 ALA B O 1 ? ? +6693 ATOM N N . TRP B 2 301 ? -22.628 -15.171 -60.747 1.00 60.26 ? 302 TRP B N 1 ? ? +6694 ATOM C CA . TRP B 2 301 ? -21.452 -15.197 -59.886 1.00 58.84 ? 302 TRP B CA 1 ? ? +6695 ATOM C CB . TRP B 2 301 ? -20.160 -15.066 -60.740 1.00 57.92 ? 302 TRP B CB 1 ? ? +6696 ATOM C CG . TRP B 2 301 ? -19.780 -16.351 -61.443 1.00 57.38 ? 302 TRP B CG 1 ? ? +6697 ATOM C CD1 . TRP B 2 301 ? -19.900 -16.633 -62.770 1.00 57.59 ? 302 TRP B CD1 1 ? ? +6698 ATOM N NE1 . TRP B 2 301 ? -19.483 -17.915 -63.021 1.00 57.23 ? 302 TRP B NE1 1 ? ? +6699 ATOM C CE2 . TRP B 2 301 ? -19.057 -18.478 -61.852 1.00 56.62 ? 302 TRP B CE2 1 ? ? +6700 ATOM C CZ2 . TRP B 2 301 ? -18.538 -19.737 -61.603 1.00 56.28 ? 302 TRP B CZ2 1 ? ? +6701 ATOM C CH2 . TRP B 2 301 ? -18.195 -20.032 -60.310 1.00 55.70 ? 302 TRP B CH2 1 ? ? +6702 ATOM C CZ3 . TRP B 2 301 ? -18.358 -19.107 -59.280 1.00 55.38 ? 302 TRP B CZ3 1 ? ? +6703 ATOM C CE3 . TRP B 2 301 ? -18.866 -17.853 -59.529 1.00 55.74 ? 302 TRP B CE3 1 ? ? +6704 ATOM C CD2 . TRP B 2 301 ? -19.225 -17.520 -60.837 1.00 56.47 ? 302 TRP B CD2 1 ? ? +6705 ATOM C C . TRP B 2 301 ? -21.486 -14.143 -58.776 1.00 58.60 ? 302 TRP B C 1 ? ? +6706 ATOM O O . TRP B 2 301 ? -20.999 -14.375 -57.671 1.00 57.98 ? 302 TRP B O 1 ? ? +6707 ATOM N N . SER B 2 302 ? -22.087 -12.981 -59.059 1.00 59.12 ? 303 SER B N 1 ? ? +6708 ATOM C CA . SER B 2 302 ? -22.261 -11.953 -58.042 1.00 58.88 ? 303 SER B CA 1 ? ? +6709 ATOM C CB . SER B 2 302 ? -22.768 -10.660 -58.657 1.00 59.42 ? 303 SER B CB 1 ? ? +6710 ATOM O OG . SER B 2 302 ? -21.782 -10.094 -59.503 1.00 59.31 ? 303 SER B OG 1 ? ? +6711 ATOM C C . SER B 2 302 ? -23.196 -12.368 -56.906 1.00 58.75 ? 303 SER B C 1 ? ? +6712 ATOM O O . SER B 2 302 ? -23.087 -11.835 -55.808 1.00 58.61 ? 303 SER B O 1 ? ? +6713 ATOM N N . ALA B 2 303 ? -24.102 -13.320 -57.165 1.00 58.86 ? 304 ALA B N 1 ? ? +6714 ATOM C CA . ALA B 2 303 ? -24.995 -13.825 -56.133 1.00 58.96 ? 304 ALA B CA 1 ? ? +6715 ATOM C CB . ALA B 2 303 ? -26.230 -14.451 -56.769 1.00 59.96 ? 304 ALA B CB 1 ? ? +6716 ATOM C C . ALA B 2 303 ? -24.332 -14.831 -55.195 1.00 58.11 ? 304 ALA B C 1 ? ? +6717 ATOM O O . ALA B 2 303 ? -24.883 -15.171 -54.151 1.00 58.15 ? 304 ALA B O 1 ? ? +6718 ATOM N N . ILE B 2 304 ? -23.137 -15.309 -55.561 1.00 57.49 ? 305 ILE B N 1 ? ? +6719 ATOM C CA . ILE B 2 304 ? -22.419 -16.244 -54.715 1.00 56.47 ? 305 ILE B CA 1 ? ? +6720 ATOM C CB . ILE B 2 304 ? -21.267 -16.916 -55.485 1.00 56.01 ? 305 ILE B CB 1 ? ? +6721 ATOM C CG1 . ILE B 2 304 ? -21.793 -17.748 -56.667 1.00 56.38 ? 305 ILE B CG1 1 ? ? +6722 ATOM C CG2 . ILE B 2 304 ? -20.381 -17.774 -54.566 1.00 55.42 ? 305 ILE B CG2 1 ? ? +6723 ATOM C CD1 . ILE B 2 304 ? -22.626 -18.932 -56.275 1.00 56.56 ? 305 ILE B CD1 1 ? ? +6724 ATOM C C . ILE B 2 304 ? -21.971 -15.472 -53.478 1.00 55.88 ? 305 ILE B C 1 ? ? +6725 ATOM O O . ILE B 2 304 ? -21.322 -14.433 -53.601 1.00 56.00 ? 305 ILE B O 1 ? ? +6726 ATOM N N . PRO B 2 305 ? -22.318 -15.927 -52.251 1.00 55.48 ? 306 PRO B N 1 ? ? +6727 ATOM C CA . PRO B 2 305 ? -21.829 -15.281 -51.036 1.00 55.16 ? 306 PRO B CA 1 ? ? +6728 ATOM C CB . PRO B 2 305 ? -22.568 -16.013 -49.912 1.00 54.99 ? 306 PRO B CB 1 ? ? +6729 ATOM C CG . PRO B 2 305 ? -23.452 -16.965 -50.540 1.00 55.52 ? 306 PRO B CG 1 ? ? +6730 ATOM C CD . PRO B 2 305 ? -23.151 -17.103 -51.974 1.00 55.66 ? 306 PRO B CD 1 ? ? +6731 ATOM C C . PRO B 2 305 ? -20.308 -15.437 -50.915 1.00 55.07 ? 306 PRO B C 1 ? ? +6732 ATOM O O . PRO B 2 305 ? -19.750 -16.463 -51.303 1.00 54.52 ? 306 PRO B O 1 ? ? +6733 ATOM N N . GLU B 2 306 ? -19.641 -14.414 -50.373 1.00 55.46 ? 307 GLU B N 1 ? ? +6734 ATOM C CA . GLU B 2 306 ? -18.193 -14.450 -50.225 1.00 55.64 ? 307 GLU B CA 1 ? ? +6735 ATOM C CB . GLU B 2 306 ? -17.625 -13.130 -49.694 1.00 56.62 ? 307 GLU B CB 1 ? ? +6736 ATOM C CG . GLU B 2 306 ? -17.501 -12.002 -50.702 1.00 58.30 ? 307 GLU B CG 1 ? ? +6737 ATOM C CD . GLU B 2 306 ? -16.577 -10.913 -50.187 1.00 60.17 ? 307 GLU B CD 1 ? ? +6738 ATOM O OE1 . GLU B 2 306 ? -16.708 -10.558 -48.990 1.00 62.12 ? 307 GLU B OE1 1 ? ? +6739 ATOM O OE2 . GLU B 2 306 ? -15.706 -10.431 -50.955 1.00 61.86 ? 307 GLU B OE2 1 ? ? +6740 ATOM C C . GLU B 2 306 ? -17.750 -15.540 -49.258 1.00 54.82 ? 307 GLU B C 1 ? ? +6741 ATOM O O . GLU B 2 306 ? -16.624 -16.017 -49.352 1.00 54.75 ? 307 GLU B O 1 ? ? +6742 ATOM N N . LYS B 2 307 ? -18.626 -15.908 -48.315 1.00 54.45 ? 308 LYS B N 1 ? ? +6743 ATOM C CA . LYS B 2 307 ? -18.286 -16.876 -47.286 1.00 53.44 ? 308 LYS B CA 1 ? ? +6744 ATOM C CB . LYS B 2 307 ? -19.336 -16.894 -46.192 1.00 53.72 ? 308 LYS B CB 1 ? ? +6745 ATOM C CG . LYS B 2 307 ? -18.937 -17.605 -44.927 1.00 53.27 ? 308 LYS B CG 1 ? ? +6746 ATOM C CD . LYS B 2 307 ? -20.034 -17.569 -43.909 1.00 53.73 ? 308 LYS B CD 1 ? ? +6747 ATOM C CE . LYS B 2 307 ? -19.625 -18.144 -42.602 1.00 53.41 ? 308 LYS B CE 1 ? ? +6748 ATOM N NZ . LYS B 2 307 ? -20.750 -18.107 -41.655 1.00 53.92 ? 308 LYS B NZ 1 ? ? +6749 ATOM C C . LYS B 2 307 ? -18.154 -18.246 -47.938 1.00 53.07 ? 308 LYS B C 1 ? ? +6750 ATOM O O . LYS B 2 307 ? -17.234 -19.003 -47.635 1.00 52.91 ? 308 LYS B O 1 ? ? +6751 ATOM N N . LEU B 2 308 ? -19.057 -18.540 -48.871 1.00 53.04 ? 309 LEU B N 1 ? ? +6752 ATOM C CA . LEU B 2 308 ? -19.027 -19.812 -49.576 1.00 52.68 ? 309 LEU B CA 1 ? ? +6753 ATOM C CB . LEU B 2 308 ? -20.303 -19.983 -50.404 1.00 53.34 ? 309 LEU B CB 1 ? ? +6754 ATOM C CG . LEU B 2 308 ? -20.425 -21.272 -51.197 1.00 53.69 ? 309 LEU B CG 1 ? ? +6755 ATOM C CD1 . LEU B 2 308 ? -20.462 -22.477 -50.314 1.00 53.65 ? 309 LEU B CD1 1 ? ? +6756 ATOM C CD2 . LEU B 2 308 ? -21.703 -21.282 -52.031 1.00 54.66 ? 309 LEU B CD2 1 ? ? +6757 ATOM C C . LEU B 2 308 ? -17.789 -19.916 -50.468 1.00 51.71 ? 309 LEU B C 1 ? ? +6758 ATOM O O . LEU B 2 308 ? -17.170 -20.970 -50.550 1.00 51.30 ? 309 LEU B O 1 ? ? +6759 ATOM N N . ALA B 2 309 ? -17.462 -18.819 -51.153 1.00 51.22 ? 310 ALA B N 1 ? ? +6760 ATOM C CA . ALA B 2 309 ? -16.325 -18.787 -52.045 1.00 50.66 ? 310 ALA B CA 1 ? ? +6761 ATOM C CB . ALA B 2 309 ? -16.261 -17.464 -52.791 1.00 50.86 ? 310 ALA B CB 1 ? ? +6762 ATOM C C . ALA B 2 309 ? -15.043 -19.009 -51.246 1.00 49.69 ? 310 ALA B C 1 ? ? +6763 ATOM O O . ALA B 2 309 ? -14.138 -19.680 -51.722 1.00 49.39 ? 310 ALA B O 1 ? ? +6764 ATOM N N . PHE B 2 310 ? -14.999 -18.466 -50.021 1.00 49.11 ? 311 PHE B N 1 ? ? +6765 ATOM C CA . PHE B 2 310 ? -13.817 -18.522 -49.174 1.00 48.10 ? 311 PHE B CA 1 ? ? +6766 ATOM C CB . PHE B 2 310 ? -14.006 -17.607 -47.963 1.00 47.92 ? 311 PHE B CB 1 ? ? +6767 ATOM C CG . PHE B 2 310 ? -12.734 -17.299 -47.201 1.00 47.24 ? 311 PHE B CG 1 ? ? +6768 ATOM C CD1 . PHE B 2 310 ? -11.573 -16.934 -47.870 1.00 46.97 ? 311 PHE B CD1 1 ? ? +6769 ATOM C CD2 . PHE B 2 310 ? -12.713 -17.325 -45.820 1.00 46.95 ? 311 PHE B CD2 1 ? ? +6770 ATOM C CE1 . PHE B 2 310 ? -10.404 -16.623 -47.170 1.00 46.43 ? 311 PHE B CE1 1 ? ? +6771 ATOM C CE2 . PHE B 2 310 ? -11.559 -17.007 -45.123 1.00 46.53 ? 311 PHE B CE2 1 ? ? +6772 ATOM C CZ . PHE B 2 310 ? -10.400 -16.663 -45.805 1.00 46.24 ? 311 PHE B CZ 1 ? ? +6773 ATOM C C . PHE B 2 310 ? -13.475 -19.936 -48.709 1.00 47.60 ? 311 PHE B C 1 ? ? +6774 ATOM O O . PHE B 2 310 ? -12.298 -20.258 -48.508 1.00 47.10 ? 311 PHE B O 1 ? ? +6775 ATOM N N . TYR B 2 311 ? -14.510 -20.762 -48.530 1.00 47.56 ? 312 TYR B N 1 ? ? +6776 ATOM C CA . TYR B 2 311 ? -14.335 -22.180 -48.259 1.00 47.22 ? 312 TYR B CA 1 ? ? +6777 ATOM C CB . TYR B 2 311 ? -15.676 -22.857 -47.903 1.00 47.66 ? 312 TYR B CB 1 ? ? +6778 ATOM C CG . TYR B 2 311 ? -16.269 -22.508 -46.563 1.00 47.58 ? 312 TYR B CG 1 ? ? +6779 ATOM C CD1 . TYR B 2 311 ? -15.497 -22.523 -45.416 1.00 46.99 ? 312 TYR B CD1 1 ? ? +6780 ATOM C CD2 . TYR B 2 311 ? -17.626 -22.239 -46.432 1.00 48.09 ? 312 TYR B CD2 1 ? ? +6781 ATOM C CE1 . TYR B 2 311 ? -16.042 -22.231 -44.176 1.00 47.02 ? 312 TYR B CE1 1 ? ? +6782 ATOM C CE2 . TYR B 2 311 ? -18.184 -21.950 -45.197 1.00 48.10 ? 312 TYR B CE2 1 ? ? +6783 ATOM C CZ . TYR B 2 311 ? -17.389 -21.947 -44.070 1.00 47.57 ? 312 TYR B CZ 1 ? ? +6784 ATOM O OH . TYR B 2 311 ? -17.944 -21.657 -42.860 1.00 47.63 ? 312 TYR B OH 1 ? ? +6785 ATOM C C . TYR B 2 311 ? -13.761 -22.942 -49.450 1.00 47.02 ? 312 TYR B C 1 ? ? +6786 ATOM O O . TYR B 2 311 ? -13.182 -24.001 -49.279 1.00 46.85 ? 312 TYR B O 1 ? ? +6787 ATOM N N . ASP B 2 312 ? -13.971 -22.445 -50.669 1.00 47.14 ? 313 ASP B N 1 ? ? +6788 ATOM C CA . ASP B 2 312 ? -13.434 -23.100 -51.852 1.00 47.08 ? 313 ASP B CA 1 ? ? +6789 ATOM C CB . ASP B 2 312 ? -14.371 -22.844 -53.035 1.00 47.57 ? 313 ASP B CB 1 ? ? +6790 ATOM C CG . ASP B 2 312 ? -14.195 -23.790 -54.191 1.00 47.74 ? 313 ASP B CG 1 ? ? +6791 ATOM O OD1 . ASP B 2 312 ? -13.874 -24.951 -53.955 1.00 47.57 ? 313 ASP B OD1 1 ? ? +6792 ATOM O OD2 . ASP B 2 312 ? -14.471 -23.387 -55.328 1.00 48.07 ? 313 ASP B OD2 1 ? ? +6793 ATOM C C . ASP B 2 312 ? -11.997 -22.637 -52.147 1.00 46.57 ? 313 ASP B C 1 ? ? +6794 ATOM O O . ASP B 2 312 ? -11.652 -22.316 -53.282 1.00 46.65 ? 313 ASP B O 1 ? ? +6795 ATOM N N . TYR B 2 313 ? -11.150 -22.620 -51.115 1.00 46.03 ? 314 TYR B N 1 ? ? +6796 ATOM C CA . TYR B 2 313 ? -9.814 -22.076 -51.253 1.00 45.64 ? 314 TYR B CA 1 ? ? +6797 ATOM C CB . TYR B 2 313 ? -9.837 -20.572 -50.899 1.00 45.64 ? 314 TYR B CB 1 ? ? +6798 ATOM C CG . TYR B 2 313 ? -8.487 -19.996 -50.546 1.00 45.19 ? 314 TYR B CG 1 ? ? +6799 ATOM C CD1 . TYR B 2 313 ? -7.454 -19.974 -51.471 1.00 45.09 ? 314 TYR B CD1 1 ? ? +6800 ATOM C CD2 . TYR B 2 313 ? -8.245 -19.479 -49.287 1.00 44.93 ? 314 TYR B CD2 1 ? ? +6801 ATOM C CE1 . TYR B 2 313 ? -6.201 -19.452 -51.147 1.00 44.73 ? 314 TYR B CE1 1 ? ? +6802 ATOM C CE2 . TYR B 2 313 ? -7.010 -18.942 -48.953 1.00 44.59 ? 314 TYR B CE2 1 ? ? +6803 ATOM C CZ . TYR B 2 313 ? -5.978 -18.944 -49.882 1.00 44.46 ? 314 TYR B CZ 1 ? ? +6804 ATOM O OH . TYR B 2 313 ? -4.765 -18.424 -49.539 1.00 44.04 ? 314 TYR B OH 1 ? ? +6805 ATOM C C . TYR B 2 313 ? -8.835 -22.892 -50.405 1.00 45.10 ? 314 TYR B C 1 ? ? +6806 ATOM O O . TYR B 2 313 ? -9.054 -23.097 -49.217 1.00 45.01 ? 314 TYR B O 1 ? ? +6807 ATOM N N . ILE B 2 314 ? -7.760 -23.374 -51.029 1.00 44.80 ? 315 ILE B N 1 ? ? +6808 ATOM C CA . ILE B 2 314 ? -6.906 -24.372 -50.401 1.00 44.43 ? 315 ILE B CA 1 ? ? +6809 ATOM C CB . ILE B 2 314 ? -5.893 -24.945 -51.411 1.00 44.38 ? 315 ILE B CB 1 ? ? +6810 ATOM C CG1 . ILE B 2 314 ? -5.471 -26.360 -51.039 1.00 44.25 ? 315 ILE B CG1 1 ? ? +6811 ATOM C CG2 . ILE B 2 314 ? -4.669 -24.032 -51.572 1.00 44.06 ? 315 ILE B CG2 1 ? ? +6812 ATOM C CD1 . ILE B 2 314 ? -4.513 -27.002 -52.084 1.00 44.19 ? 315 ILE B CD1 1 ? ? +6813 ATOM C C . ILE B 2 314 ? -6.182 -23.825 -49.176 1.00 43.90 ? 315 ILE B C 1 ? ? +6814 ATOM O O . ILE B 2 314 ? -5.721 -24.584 -48.345 1.00 43.69 ? 315 ILE B O 1 ? ? +6815 ATOM N N . GLY B 2 315 ? -6.097 -22.502 -49.059 1.00 43.78 ? 316 GLY B N 1 ? ? +6816 ATOM C CA . GLY B 2 315 ? -5.470 -21.881 -47.908 1.00 43.37 ? 316 GLY B CA 1 ? ? +6817 ATOM C C . GLY B 2 315 ? -6.238 -22.080 -46.606 1.00 43.34 ? 316 GLY B C 1 ? ? +6818 ATOM O O . GLY B 2 315 ? -5.716 -21.764 -45.541 1.00 43.01 ? 316 GLY B O 1 ? ? +6819 ATOM N N . ASN B 2 316 ? -7.495 -22.534 -46.703 1.00 43.71 ? 317 ASN B N 1 ? ? +6820 ATOM C CA . ASN B 2 316 ? -8.279 -22.890 -45.530 1.00 43.77 ? 317 ASN B CA 1 ? ? +6821 ATOM C CB . ASN B 2 316 ? -9.675 -22.321 -45.648 1.00 44.27 ? 317 ASN B CB 1 ? ? +6822 ATOM C CG . ASN B 2 316 ? -9.662 -20.841 -45.720 1.00 44.29 ? 317 ASN B CG 1 ? ? +6823 ATOM O OD1 . ASN B 2 316 ? -8.859 -20.175 -45.066 1.00 43.98 ? 317 ASN B OD1 1 ? ? +6824 ATOM N ND2 . ASN B 2 316 ? -10.524 -20.273 -46.530 1.00 44.76 ? 317 ASN B ND2 1 ? ? +6825 ATOM C C . ASN B 2 316 ? -8.354 -24.399 -45.312 1.00 43.73 ? 317 ASN B C 1 ? ? +6826 ATOM O O . ASN B 2 316 ? -9.054 -24.855 -44.401 1.00 43.84 ? 317 ASN B O 1 ? ? +6827 ATOM N N . ASN B 2 317 ? -7.635 -25.145 -46.169 1.00 43.56 ? 318 ASN B N 1 ? ? +6828 ATOM C CA . ASN B 2 317 ? -7.533 -26.588 -46.071 1.00 43.52 ? 318 ASN B CA 1 ? ? +6829 ATOM C CB . ASN B 2 317 ? -7.163 -27.181 -47.434 1.00 43.62 ? 318 ASN B CB 1 ? ? +6830 ATOM C CG . ASN B 2 317 ? -6.902 -28.670 -47.446 1.00 43.66 ? 318 ASN B CG 1 ? ? +6831 ATOM O OD1 . ASN B 2 317 ? -6.737 -29.327 -46.410 1.00 43.54 ? 318 ASN B OD1 1 ? ? +6832 ATOM N ND2 . ASN B 2 317 ? -6.863 -29.252 -48.645 1.00 43.87 ? 318 ASN B ND2 1 ? ? +6833 ATOM C C . ASN B 2 317 ? -6.498 -26.892 -44.992 1.00 43.11 ? 318 ASN B C 1 ? ? +6834 ATOM O O . ASN B 2 317 ? -5.345 -26.466 -45.101 1.00 42.80 ? 318 ASN B O 1 ? ? +6835 ATOM N N . PRO B 2 318 ? -6.869 -27.637 -43.925 1.00 43.09 ? 319 PRO B N 1 ? ? +6836 ATOM C CA . PRO B 2 318 ? -5.981 -27.860 -42.785 1.00 42.68 ? 319 PRO B CA 1 ? ? +6837 ATOM C CB . PRO B 2 318 ? -6.914 -28.519 -41.773 1.00 42.94 ? 319 PRO B CB 1 ? ? +6838 ATOM C CG . PRO B 2 318 ? -7.895 -29.226 -42.611 1.00 43.38 ? 319 PRO B CG 1 ? ? +6839 ATOM C CD . PRO B 2 318 ? -8.164 -28.308 -43.745 1.00 43.50 ? 319 PRO B CD 1 ? ? +6840 ATOM C C . PRO B 2 318 ? -4.799 -28.784 -43.057 1.00 42.41 ? 319 PRO B C 1 ? ? +6841 ATOM O O . PRO B 2 318 ? -4.023 -29.046 -42.153 1.00 42.10 ? 319 PRO B O 1 ? ? +6842 ATOM N N . ALA B 2 319 ? -4.720 -29.306 -44.283 1.00 42.52 ? 320 ALA B N 1 ? ? +6843 ATOM C CA . ALA B 2 319 ? -3.685 -30.242 -44.664 1.00 42.36 ? 320 ALA B CA 1 ? ? +6844 ATOM C CB . ALA B 2 319 ? -4.311 -31.357 -45.474 1.00 42.73 ? 320 ALA B CB 1 ? ? +6845 ATOM C C . ALA B 2 319 ? -2.583 -29.560 -45.471 1.00 42.07 ? 320 ALA B C 1 ? ? +6846 ATOM O O . ALA B 2 319 ? -1.896 -30.225 -46.231 1.00 41.97 ? 320 ALA B O 1 ? ? +6847 ATOM N N . LYS B 2 320 ? -2.479 -28.234 -45.333 1.00 41.94 ? 321 LYS B N 1 ? ? +6848 ATOM C CA . LYS B 2 320 ? -1.565 -27.428 -46.117 1.00 41.82 ? 321 LYS B CA 1 ? ? +6849 ATOM C CB . LYS B 2 320 ? -2.350 -26.384 -46.906 1.00 42.06 ? 321 LYS B CB 1 ? ? +6850 ATOM C CG . LYS B 2 320 ? -3.007 -26.911 -48.193 1.00 42.44 ? 321 LYS B CG 1 ? ? +6851 ATOM C CD . LYS B 2 320 ? -2.019 -27.492 -49.190 1.00 42.40 ? 321 LYS B CD 1 ? ? +6852 ATOM C CE . LYS B 2 320 ? -0.866 -26.563 -49.505 1.00 42.13 ? 321 LYS B CE 1 ? ? +6853 ATOM N NZ . LYS B 2 320 ? 0.049 -27.190 -50.475 1.00 42.14 ? 321 LYS B NZ 1 ? ? +6854 ATOM C C . LYS B 2 320 ? -0.502 -26.741 -45.251 1.00 41.50 ? 321 LYS B C 1 ? ? +6855 ATOM O O . LYS B 2 320 ? 0.256 -25.906 -45.743 1.00 41.38 ? 321 LYS B O 1 ? ? +6856 ATOM N N . GLY B 2 321 ? -0.445 -27.100 -43.962 1.00 41.36 ? 322 GLY B N 1 ? ? +6857 ATOM C CA . GLY B 2 321 ? 0.393 -26.383 -43.023 1.00 41.11 ? 322 GLY B CA 1 ? ? +6858 ATOM C C . GLY B 2 321 ? 1.742 -27.065 -42.839 1.00 40.92 ? 322 GLY B C 1 ? ? +6859 ATOM O O . GLY B 2 321 ? 2.101 -27.939 -43.603 1.00 40.99 ? 322 GLY B O 1 ? ? +6860 ATOM N N . GLY B 2 322 ? 2.448 -26.679 -41.791 1.00 40.77 ? 323 GLY B N 1 ? ? +6861 ATOM C CA . GLY B 2 322 ? 3.704 -27.307 -41.436 1.00 40.65 ? 323 GLY B CA 1 ? ? +6862 ATOM C C . GLY B 2 322 ? 3.911 -27.235 -39.936 1.00 40.58 ? 323 GLY B C 1 ? ? +6863 ATOM O O . GLY B 2 322 ? 3.467 -26.301 -39.307 1.00 40.51 ? 323 GLY B O 1 ? ? +6864 ATOM N N . LEU B 2 323 ? 4.628 -28.210 -39.391 1.00 40.71 ? 324 LEU B N 1 ? ? +6865 ATOM C CA . LEU B 2 323 ? 4.832 -28.331 -37.958 1.00 40.78 ? 324 LEU B CA 1 ? ? +6866 ATOM C CB . LEU B 2 323 ? 5.750 -29.530 -37.714 1.00 40.81 ? 324 LEU B CB 1 ? ? +6867 ATOM C CG . LEU B 2 323 ? 5.942 -29.940 -36.294 1.00 40.84 ? 324 LEU B CG 1 ? ? +6868 ATOM C CD1 . LEU B 2 323 ? 4.640 -30.347 -35.639 1.00 41.04 ? 324 LEU B CD1 1 ? ? +6869 ATOM C CD2 . LEU B 2 323 ? 6.884 -31.093 -36.218 1.00 40.91 ? 324 LEU B CD2 1 ? ? +6870 ATOM C C . LEU B 2 323 ? 5.411 -27.099 -37.265 1.00 40.73 ? 324 LEU B C 1 ? ? +6871 ATOM O O . LEU B 2 323 ? 5.002 -26.802 -36.142 1.00 40.80 ? 324 LEU B O 1 ? ? +6872 ATOM N N . PHE B 2 324 ? 6.340 -26.393 -37.926 1.00 40.69 ? 325 PHE B N 1 ? ? +6873 ATOM C CA . PHE B 2 324 ? 7.001 -25.243 -37.328 1.00 40.63 ? 325 PHE B CA 1 ? ? +6874 ATOM C CB . PHE B 2 324 ? 8.536 -25.424 -37.420 1.00 40.55 ? 325 PHE B CB 1 ? ? +6875 ATOM C CG . PHE B 2 324 ? 8.987 -26.528 -36.517 1.00 40.56 ? 325 PHE B CG 1 ? ? +6876 ATOM C CD1 . PHE B 2 324 ? 8.991 -26.360 -35.144 1.00 40.54 ? 325 PHE B CD1 1 ? ? +6877 ATOM C CD2 . PHE B 2 324 ? 9.345 -27.756 -37.029 1.00 40.68 ? 325 PHE B CD2 1 ? ? +6878 ATOM C CE1 . PHE B 2 324 ? 9.353 -27.399 -34.303 1.00 40.60 ? 325 PHE B CE1 1 ? ? +6879 ATOM C CE2 . PHE B 2 324 ? 9.706 -28.794 -36.189 1.00 40.72 ? 325 PHE B CE2 1 ? ? +6880 ATOM C CZ . PHE B 2 324 ? 9.705 -28.612 -34.829 1.00 40.68 ? 325 PHE B CZ 1 ? ? +6881 ATOM C C . PHE B 2 324 ? 6.590 -23.918 -37.952 1.00 40.73 ? 325 PHE B C 1 ? ? +6882 ATOM O O . PHE B 2 324 ? 7.197 -22.887 -37.698 1.00 40.64 ? 325 PHE B O 1 ? ? +6883 ATOM N N . ARG B 2 325 ? 5.554 -23.948 -38.789 1.00 40.98 ? 326 ARG B N 1 ? ? +6884 ATOM C CA . ARG B 2 325 ? 4.973 -22.721 -39.288 1.00 41.14 ? 326 ARG B CA 1 ? ? +6885 ATOM C CB . ARG B 2 325 ? 4.356 -22.920 -40.665 1.00 41.19 ? 326 ARG B CB 1 ? ? +6886 ATOM C CG . ARG B 2 325 ? 5.268 -23.540 -41.690 1.00 41.06 ? 326 ARG B CG 1 ? ? +6887 ATOM C CD . ARG B 2 325 ? 4.533 -23.623 -42.967 1.00 41.24 ? 326 ARG B CD 1 ? ? +6888 ATOM N NE . ARG B 2 325 ? 5.266 -24.217 -44.072 1.00 41.18 ? 326 ARG B NE 1 ? ? +6889 ATOM C CZ . ARG B 2 325 ? 4.677 -24.632 -45.182 1.00 41.35 ? 326 ARG B CZ 1 ? ? +6890 ATOM N NH1 . ARG B 2 325 ? 3.351 -24.709 -45.280 1.00 41.57 ? 326 ARG B NH1 1 ? ? +6891 ATOM N NH2 . ARG B 2 325 ? 5.425 -25.000 -46.213 1.00 41.35 ? 326 ARG B NH2 1 ? ? +6892 ATOM C C . ARG B 2 325 ? 3.920 -22.347 -38.258 1.00 41.42 ? 326 ARG B C 1 ? ? +6893 ATOM O O . ARG B 2 325 ? 2.853 -22.931 -38.253 1.00 41.82 ? 326 ARG B O 1 ? ? +6894 ATOM N N . THR B 2 326 ? 4.220 -21.380 -37.394 1.00 41.57 ? 327 THR B N 1 ? ? +6895 ATOM C CA . THR B 2 326 ? 3.402 -21.152 -36.213 1.00 41.85 ? 327 THR B CA 1 ? ? +6896 ATOM C CB . THR B 2 326 ? 4.325 -20.773 -35.071 1.00 41.73 ? 327 THR B CB 1 ? ? +6897 ATOM O OG1 . THR B 2 326 ? 4.963 -19.578 -35.447 1.00 41.73 ? 327 THR B OG1 1 ? ? +6898 ATOM C CG2 . THR B 2 326 ? 5.339 -21.833 -34.771 1.00 41.67 ? 327 THR B CG2 1 ? ? +6899 ATOM C C . THR B 2 326 ? 2.321 -20.077 -36.351 1.00 41.95 ? 327 THR B C 1 ? ? +6900 ATOM O O . THR B 2 326 ? 2.245 -19.345 -37.328 1.00 42.04 ? 327 THR B O 1 ? ? +6901 ATOM N N . GLY B 2 327 ? 1.480 -19.991 -35.334 1.00 42.13 ? 328 GLY B N 1 ? ? +6902 ATOM C CA . GLY B 2 327 ? 0.511 -18.910 -35.224 1.00 42.39 ? 328 GLY B CA 1 ? ? +6903 ATOM C C . GLY B 2 327 ? -0.740 -19.076 -36.081 1.00 42.55 ? 328 GLY B C 1 ? ? +6904 ATOM O O . GLY B 2 327 ? -0.976 -20.135 -36.638 1.00 42.48 ? 328 GLY B O 1 ? ? +6905 ATOM N N . PRO B 2 328 ? -1.531 -18.002 -36.253 1.00 42.84 ? 329 PRO B N 1 ? ? +6906 ATOM C CA . PRO B 2 328 ? -2.786 -18.085 -36.994 1.00 43.22 ? 329 PRO B CA 1 ? ? +6907 ATOM C CB . PRO B 2 328 ? -3.475 -16.780 -36.623 1.00 43.33 ? 329 PRO B CB 1 ? ? +6908 ATOM C CG . PRO B 2 328 ? -2.306 -15.810 -36.431 1.00 43.09 ? 329 PRO B CG 1 ? ? +6909 ATOM C CD . PRO B 2 328 ? -1.244 -16.641 -35.768 1.00 42.80 ? 329 PRO B CD 1 ? ? +6910 ATOM C C . PRO B 2 328 ? -2.549 -18.206 -38.494 1.00 43.28 ? 329 PRO B C 1 ? ? +6911 ATOM O O . PRO B 2 328 ? -1.450 -17.966 -38.973 1.00 43.15 ? 329 PRO B O 1 ? ? +6912 ATOM N N . MET B 2 329 ? -3.607 -18.544 -39.228 1.00 43.55 ? 330 MET B N 1 ? ? +6913 ATOM C CA . MET B 2 329 ? -3.528 -18.731 -40.667 1.00 43.65 ? 330 MET B CA 1 ? ? +6914 ATOM C CB . MET B 2 329 ? -4.835 -19.347 -41.184 1.00 43.93 ? 330 MET B CB 1 ? ? +6915 ATOM C CG . MET B 2 329 ? -4.977 -20.792 -40.818 1.00 43.91 ? 330 MET B CG 1 ? ? +6916 ATOM S SD . MET B 2 329 ? -6.663 -21.449 -41.090 1.00 44.31 ? 330 MET B SD 1 ? ? +6917 ATOM C CE . MET B 2 329 ? -6.390 -22.470 -42.452 1.00 44.31 ? 330 MET B CE 1 ? ? +6918 ATOM C C . MET B 2 329 ? -3.249 -17.398 -41.355 1.00 43.74 ? 330 MET B C 1 ? ? +6919 ATOM O O . MET B 2 329 ? -2.630 -17.372 -42.421 1.00 43.75 ? 330 MET B O 1 ? ? +6920 ATOM N N . ASN B 2 330 ? -3.725 -16.312 -40.723 1.00 43.85 ? 331 ASN B N 1 ? ? +6921 ATOM C CA . ASN B 2 330 ? -3.567 -14.948 -41.204 1.00 43.94 ? 331 ASN B CA 1 ? ? +6922 ATOM C CB . ASN B 2 330 ? -4.319 -13.982 -40.271 1.00 43.85 ? 331 ASN B CB 1 ? ? +6923 ATOM C CG . ASN B 2 330 ? -5.854 -14.044 -40.388 1.00 44.01 ? 331 ASN B CG 1 ? ? +6924 ATOM O OD1 . ASN B 2 330 ? -6.408 -14.600 -41.304 1.00 44.03 ? 331 ASN B OD1 1 ? ? +6925 ATOM N ND2 . ASN B 2 330 ? -6.528 -13.442 -39.471 1.00 43.97 ? 331 ASN B ND2 1 ? ? +6926 ATOM C C . ASN B 2 330 ? -2.096 -14.551 -41.307 1.00 43.99 ? 331 ASN B C 1 ? ? +6927 ATOM O O . ASN B 2 330 ? -1.721 -13.668 -42.076 1.00 44.13 ? 331 ASN B O 1 ? ? +6928 ATOM N N . LYS B 2 331 ? -1.258 -15.241 -40.539 1.00 44.04 ? 332 LYS B N 1 ? ? +6929 ATOM C CA . LYS B 2 331 ? 0.170 -14.992 -40.583 1.00 44.15 ? 332 LYS B CA 1 ? ? +6930 ATOM C CB . LYS B 2 331 ? 0.792 -15.615 -39.334 1.00 44.14 ? 332 LYS B CB 1 ? ? +6931 ATOM C CG . LYS B 2 331 ? 2.249 -15.440 -39.202 1.00 44.29 ? 332 LYS B CG 1 ? ? +6932 ATOM C CD . LYS B 2 331 ? 2.720 -14.017 -39.181 1.00 44.44 ? 332 LYS B CD 1 ? ? +6933 ATOM C CE . LYS B 2 331 ? 4.206 -14.001 -39.068 1.00 44.37 ? 332 LYS B CE 1 ? ? +6934 ATOM N NZ . LYS B 2 331 ? 4.716 -12.782 -39.674 1.00 44.60 ? 332 LYS B NZ 1 ? ? +6935 ATOM C C . LYS B 2 331 ? 0.782 -15.504 -41.887 1.00 44.23 ? 332 LYS B C 1 ? ? +6936 ATOM O O . LYS B 2 331 ? 1.853 -15.057 -42.279 1.00 44.54 ? 332 LYS B O 1 ? ? +6937 ATOM N N . GLY B 2 332 ? 0.100 -16.425 -42.574 1.00 44.27 ? 333 GLY B N 1 ? ? +6938 ATOM C CA . GLY B 2 332 ? 0.599 -16.963 -43.829 1.00 44.22 ? 333 GLY B CA 1 ? ? +6939 ATOM C C . GLY B 2 332 ? 0.154 -16.203 -45.074 1.00 44.50 ? 333 GLY B C 1 ? ? +6940 ATOM O O . GLY B 2 332 ? 0.868 -15.346 -45.584 1.00 44.33 ? 333 GLY B O 1 ? ? +6941 ATOM N N . ASP B 2 333 ? -1.056 -16.513 -45.553 1.00 44.88 ? 334 ASP B N 1 ? ? +6942 ATOM C CA . ASP B 2 333 ? -1.582 -15.866 -46.746 1.00 45.18 ? 334 ASP B CA 1 ? ? +6943 ATOM C CB . ASP B 2 333 ? -2.683 -16.709 -47.403 1.00 45.50 ? 334 ASP B CB 1 ? ? +6944 ATOM C CG . ASP B 2 333 ? -3.759 -17.304 -46.517 1.00 45.58 ? 334 ASP B CG 1 ? ? +6945 ATOM O OD1 . ASP B 2 333 ? -3.745 -17.039 -45.295 1.00 45.31 ? 334 ASP B OD1 1 ? ? +6946 ATOM O OD2 . ASP B 2 333 ? -4.607 -18.055 -47.046 1.00 45.84 ? 334 ASP B OD2 1 ? ? +6947 ATOM C C . ASP B 2 333 ? -2.067 -14.441 -46.501 1.00 45.29 ? 334 ASP B C 1 ? ? +6948 ATOM O O . ASP B 2 333 ? -2.292 -13.705 -47.464 1.00 45.51 ? 334 ASP B O 1 ? ? +6949 ATOM N N . GLY B 2 334 ? -2.170 -14.053 -45.220 1.00 45.24 ? 335 GLY B N 1 ? ? +6950 ATOM C CA . GLY B 2 334 ? -2.662 -12.738 -44.843 1.00 45.62 ? 335 GLY B CA 1 ? ? +6951 ATOM C C . GLY B 2 334 ? -4.110 -12.741 -44.336 1.00 46.04 ? 335 GLY B C 1 ? ? +6952 ATOM O O . GLY B 2 334 ? -4.738 -13.791 -44.207 1.00 45.88 ? 335 GLY B O 1 ? ? +6953 ATOM N N . ILE B 2 335 ? -4.610 -11.540 -44.032 1.00 46.50 ? 336 ILE B N 1 ? ? +6954 ATOM C CA . ILE B 2 335 ? -5.986 -11.344 -43.599 1.00 47.24 ? 336 ILE B CA 1 ? ? +6955 ATOM C CB . ILE B 2 335 ? -6.107 -10.147 -42.626 1.00 47.22 ? 336 ILE B CB 1 ? ? +6956 ATOM C CG1 . ILE B 2 335 ? -5.096 -10.251 -41.472 1.00 46.83 ? 336 ILE B CG1 1 ? ? +6957 ATOM C CG2 . ILE B 2 335 ? -7.554 -10.016 -42.089 1.00 47.44 ? 336 ILE B CG2 1 ? ? +6958 ATOM C CD1 . ILE B 2 335 ? -4.847 -8.974 -40.767 1.00 46.90 ? 336 ILE B CD1 1 ? ? +6959 ATOM C C . ILE B 2 335 ? -6.874 -11.139 -44.822 1.00 47.88 ? 336 ILE B C 1 ? ? +6960 ATOM O O . ILE B 2 335 ? -6.790 -10.103 -45.469 1.00 48.18 ? 336 ILE B O 1 ? ? +6961 ATOM N N . ALA B 2 336 ? -7.717 -12.126 -45.135 1.00 48.48 ? 337 ALA B N 1 ? ? +6962 ATOM C CA . ALA B 2 336 ? -8.604 -12.017 -46.281 1.00 49.38 ? 337 ALA B CA 1 ? ? +6963 ATOM C CB . ALA B 2 336 ? -9.491 -13.252 -46.389 1.00 49.73 ? 337 ALA B CB 1 ? ? +6964 ATOM C C . ALA B 2 336 ? -9.455 -10.750 -46.173 1.00 49.88 ? 337 ALA B C 1 ? ? +6965 ATOM O O . ALA B 2 336 ? -9.981 -10.443 -45.106 1.00 49.62 ? 337 ALA B O 1 ? ? +6966 ATOM N N . GLN B 2 337 ? -9.545 -10.010 -47.287 1.00 50.61 ? 338 GLN B N 1 ? ? +6967 ATOM C CA . GLN B 2 337 ? -10.250 -8.742 -47.341 1.00 51.43 ? 338 GLN B CA 1 ? ? +6968 ATOM C CB . GLN B 2 337 ? -9.354 -7.647 -47.911 1.00 52.01 ? 338 GLN B CB 1 ? ? +6969 ATOM C CG . GLN B 2 337 ? -8.075 -7.393 -47.104 1.00 52.41 ? 338 GLN B CG 1 ? ? +6970 ATOM C CD . GLN B 2 337 ? -8.380 -6.760 -45.783 1.00 53.07 ? 338 GLN B CD 1 ? ? +6971 ATOM O OE1 . GLN B 2 337 ? -8.973 -5.676 -45.732 1.00 54.42 ? 338 GLN B OE1 1 ? ? +6972 ATOM N NE2 . GLN B 2 337 ? -8.019 -7.410 -44.682 1.00 53.05 ? 338 GLN B NE2 1 ? ? +6973 ATOM C C . GLN B 2 337 ? -11.506 -8.845 -48.203 1.00 52.00 ? 338 GLN B C 1 ? ? +6974 ATOM O O . GLN B 2 337 ? -12.557 -8.348 -47.819 1.00 52.08 ? 338 GLN B O 1 ? ? +6975 ATOM N N . ALA B 2 338 ? -11.376 -9.474 -49.376 1.00 52.13 ? 339 ALA B N 1 ? ? +6976 ATOM C CA . ALA B 2 338 ? -12.436 -9.464 -50.365 1.00 52.78 ? 339 ALA B CA 1 ? ? +6977 ATOM C CB . ALA B 2 338 ? -12.441 -8.140 -51.073 1.00 53.01 ? 339 ALA B CB 1 ? ? +6978 ATOM C C . ALA B 2 338 ? -12.270 -10.586 -51.382 1.00 53.03 ? 339 ALA B C 1 ? ? +6979 ATOM O O . ALA B 2 338 ? -11.157 -10.988 -51.694 1.00 52.58 ? 339 ALA B O 1 ? ? +6980 ATOM N N . TRP B 2 339 ? -13.394 -11.109 -51.870 1.00 53.66 ? 340 TRP B N 1 ? ? +6981 ATOM C CA . TRP B 2 339 ? -13.385 -12.009 -53.008 1.00 54.11 ? 340 TRP B CA 1 ? ? +6982 ATOM C CB . TRP B 2 339 ? -14.740 -12.744 -53.109 1.00 54.21 ? 340 TRP B CB 1 ? ? +6983 ATOM C CG . TRP B 2 339 ? -14.820 -13.784 -54.174 1.00 54.06 ? 340 TRP B CG 1 ? ? +6984 ATOM C CD1 . TRP B 2 339 ? -13.829 -14.628 -54.577 1.00 53.62 ? 340 TRP B CD1 1 ? ? +6985 ATOM N NE1 . TRP B 2 339 ? -14.291 -15.458 -55.566 1.00 53.91 ? 340 TRP B NE1 1 ? ? +6986 ATOM C CE2 . TRP B 2 339 ? -15.606 -15.171 -55.807 1.00 54.47 ? 340 TRP B CE2 1 ? ? +6987 ATOM C CZ2 . TRP B 2 339 ? -16.505 -15.746 -56.696 1.00 55.13 ? 340 TRP B CZ2 1 ? ? +6988 ATOM C CH2 . TRP B 2 339 ? -17.801 -15.258 -56.698 1.00 55.76 ? 340 TRP B CH2 1 ? ? +6989 ATOM C CZ3 . TRP B 2 339 ? -18.196 -14.226 -55.847 1.00 55.64 ? 340 TRP B CZ3 1 ? ? +6990 ATOM C CE3 . TRP B 2 339 ? -17.299 -13.652 -54.968 1.00 55.26 ? 340 TRP B CE3 1 ? ? +6991 ATOM C CD2 . TRP B 2 339 ? -15.974 -14.126 -54.938 1.00 54.57 ? 340 TRP B CD2 1 ? ? +6992 ATOM C C . TRP B 2 339 ? -13.076 -11.174 -54.249 1.00 55.07 ? 340 TRP B C 1 ? ? +6993 ATOM O O . TRP B 2 339 ? -13.704 -10.139 -54.478 1.00 56.05 ? 340 TRP B O 1 ? ? +6994 ATOM N N . LYS B 2 340 ? -12.088 -11.600 -55.043 1.00 55.23 ? 341 LYS B N 1 ? ? +6995 ATOM C CA . LYS B 2 340 ? -11.797 -10.898 -56.285 1.00 55.61 ? 341 LYS B CA 1 ? ? +6996 ATOM C CB . LYS B 2 340 ? -10.404 -11.227 -56.775 1.00 55.79 ? 341 LYS B CB 1 ? ? +6997 ATOM C CG . LYS B 2 340 ? -9.359 -10.521 -55.968 1.00 56.23 ? 341 LYS B CG 1 ? ? +6998 ATOM C CD . LYS B 2 340 ? -7.994 -10.543 -56.648 1.00 56.96 ? 341 LYS B CD 1 ? ? +6999 ATOM C CE . LYS B 2 340 ? -7.015 -9.619 -55.995 1.00 57.45 ? 341 LYS B CE 1 ? ? +7000 ATOM N NZ . LYS B 2 340 ? -7.585 -8.229 -55.881 1.00 58.60 ? 341 LYS B NZ 1 ? ? +7001 ATOM C C . LYS B 2 340 ? -12.820 -11.205 -57.376 1.00 55.58 ? 341 LYS B C 1 ? ? +7002 ATOM O O . LYS B 2 340 ? -13.000 -10.423 -58.301 1.00 55.93 ? 341 LYS B O 1 ? ? +7003 ATOM N N . GLY B 2 341 ? -13.487 -12.351 -57.252 1.00 55.03 ? 342 GLY B N 1 ? ? +7004 ATOM C CA . GLY B 2 341 ? -14.432 -12.808 -58.254 1.00 55.15 ? 342 GLY B CA 1 ? ? +7005 ATOM C C . GLY B 2 341 ? -13.936 -14.106 -58.869 1.00 54.44 ? 342 GLY B C 1 ? ? +7006 ATOM O O . GLY B 2 341 ? -12.781 -14.474 -58.667 1.00 53.96 ? 342 GLY B O 1 ? ? +7007 ATOM N N . HIS B 2 342 ? -14.825 -14.789 -59.592 1.00 54.27 ? 343 HIS B N 1 ? ? +7008 ATOM C CA . HIS B 2 342 ? -14.487 -16.035 -60.250 1.00 54.05 ? 343 HIS B CA 1 ? ? +7009 ATOM C CB . HIS B 2 342 ? -15.723 -16.852 -60.547 1.00 54.53 ? 343 HIS B CB 1 ? ? +7010 ATOM C CG . HIS B 2 342 ? -15.444 -18.204 -61.130 1.00 54.40 ? 343 HIS B CG 1 ? ? +7011 ATOM N ND1 . HIS B 2 342 ? -14.987 -19.238 -60.349 1.00 53.90 ? 343 HIS B ND1 1 ? ? +7012 ATOM C CE1 . HIS B 2 342 ? -14.869 -20.278 -61.154 1.00 54.06 ? 343 HIS B CE1 1 ? ? +7013 ATOM N NE2 . HIS B 2 342 ? -15.239 -19.964 -62.399 1.00 54.58 ? 343 HIS B NE2 1 ? ? +7014 ATOM C CD2 . HIS B 2 342 ? -15.613 -18.650 -62.393 1.00 54.79 ? 343 HIS B CD2 1 ? ? +7015 ATOM C C . HIS B 2 342 ? -13.738 -15.752 -61.549 1.00 54.20 ? 343 HIS B C 1 ? ? +7016 ATOM O O . HIS B 2 342 ? -14.232 -15.013 -62.399 1.00 54.82 ? 343 HIS B O 1 ? ? +7017 ATOM N N . ALA B 2 343 ? -12.551 -16.361 -61.677 1.00 53.59 ? 344 ALA B N 1 ? ? +7018 ATOM C CA . ALA B 2 343 ? -11.709 -16.218 -62.850 1.00 53.50 ? 344 ALA B CA 1 ? ? +7019 ATOM C CB . ALA B 2 343 ? -10.255 -16.454 -62.479 1.00 52.90 ? 344 ALA B CB 1 ? ? +7020 ATOM C C . ALA B 2 343 ? -12.145 -17.222 -63.906 1.00 54.02 ? 344 ALA B C 1 ? ? +7021 ATOM O O . ALA B 2 343 ? -12.296 -18.406 -63.615 1.00 54.25 ? 344 ALA B O 1 ? ? +7022 ATOM N N . VAL B 2 344 ? -12.354 -16.737 -65.130 1.00 54.49 ? 345 VAL B N 1 ? ? +7023 ATOM C CA . VAL B 2 344 ? -12.676 -17.598 -66.253 1.00 55.01 ? 345 VAL B CA 1 ? ? +7024 ATOM C CB . VAL B 2 344 ? -14.099 -17.335 -66.824 1.00 55.50 ? 345 VAL B CB 1 ? ? +7025 ATOM C CG1 . VAL B 2 344 ? -14.309 -18.061 -68.146 1.00 55.91 ? 345 VAL B CG1 1 ? ? +7026 ATOM C CG2 . VAL B 2 344 ? -15.158 -17.722 -65.805 1.00 55.51 ? 345 VAL B CG2 1 ? ? +7027 ATOM C C . VAL B 2 344 ? -11.588 -17.370 -67.293 1.00 55.28 ? 345 VAL B C 1 ? ? +7028 ATOM O O . VAL B 2 344 ? -11.343 -16.238 -67.699 1.00 55.39 ? 345 VAL B O 1 ? ? +7029 ATOM N N . PHE B 2 345 ? -10.950 -18.463 -67.712 1.00 55.65 ? 346 PHE B N 1 ? ? +7030 ATOM C CA . PHE B 2 345 ? -9.864 -18.403 -68.667 1.00 56.04 ? 346 PHE B CA 1 ? ? +7031 ATOM C CB . PHE B 2 345 ? -8.695 -19.296 -68.221 1.00 55.38 ? 346 PHE B CB 1 ? ? +7032 ATOM C CG . PHE B 2 345 ? -8.073 -18.839 -66.932 1.00 54.53 ? 346 PHE B CG 1 ? ? +7033 ATOM C CD1 . PHE B 2 345 ? -8.627 -19.195 -65.714 1.00 54.14 ? 346 PHE B CD1 1 ? ? +7034 ATOM C CD2 . PHE B 2 345 ? -6.971 -18.003 -66.938 1.00 54.21 ? 346 PHE B CD2 1 ? ? +7035 ATOM C CE1 . PHE B 2 345 ? -8.072 -18.753 -64.529 1.00 53.69 ? 346 PHE B CE1 1 ? ? +7036 ATOM C CE2 . PHE B 2 345 ? -6.412 -17.555 -65.749 1.00 53.69 ? 346 PHE B CE2 1 ? ? +7037 ATOM C CZ . PHE B 2 345 ? -6.959 -17.937 -64.546 1.00 53.47 ? 346 PHE B CZ 1 ? ? +7038 ATOM C C . PHE B 2 345 ? -10.391 -18.855 -70.016 1.00 57.27 ? 346 PHE B C 1 ? ? +7039 ATOM O O . PHE B 2 345 ? -11.121 -19.839 -70.081 1.00 57.65 ? 346 PHE B O 1 ? ? +7040 ATOM N N A ARG B 2 346 ? -10.004 -18.127 -71.069 0.50 57.97 ? 347 ARG B N 1 ? ? +7041 ATOM N N B ARG B 2 346 ? -10.021 -18.121 -71.072 0.50 58.07 ? 347 ARG B N 1 ? ? +7042 ATOM C CA A ARG B 2 346 ? -10.320 -18.487 -72.439 0.50 58.99 ? 347 ARG B CA 1 ? ? +7043 ATOM C CA B ARG B 2 346 ? -10.322 -18.514 -72.438 0.50 59.19 ? 347 ARG B CA 1 ? ? +7044 ATOM C C A ARG B 2 346 ? -9.045 -18.401 -73.273 0.50 59.56 ? 347 ARG B C 1 ? ? +7045 ATOM C C B ARG B 2 346 ? -9.051 -18.399 -73.276 0.50 59.67 ? 347 ARG B C 1 ? ? +7046 ATOM O O A ARG B 2 346 ? -8.146 -17.636 -72.939 0.50 59.33 ? 347 ARG B O 1 ? ? +7047 ATOM O O B ARG B 2 346 ? -8.153 -17.632 -72.939 0.50 59.43 ? 347 ARG B O 1 ? ? +7048 ATOM C CB A ARG B 2 346 ? -11.386 -17.540 -73.003 0.50 59.50 ? 347 ARG B CB 1 ? ? +7049 ATOM C CB B ARG B 2 346 ? -11.463 -17.648 -73.023 0.50 59.87 ? 347 ARG B CB 1 ? ? +7050 ATOM C CG A ARG B 2 346 ? -12.634 -17.444 -72.159 0.50 59.50 ? 347 ARG B CG 1 ? ? +7051 ATOM C CG B ARG B 2 346 ? -12.797 -17.848 -72.300 0.50 60.08 ? 347 ARG B CG 1 ? ? +7052 ATOM C CD A ARG B 2 346 ? -13.634 -16.442 -72.708 0.50 60.00 ? 347 ARG B CD 1 ? ? +7053 ATOM C CD B ARG B 2 346 ? -13.980 -17.153 -72.965 0.50 60.80 ? 347 ARG B CD 1 ? ? +7054 ATOM N NE A ARG B 2 346 ? -14.879 -16.495 -71.955 0.50 59.98 ? 347 ARG B NE 1 ? ? +7055 ATOM N NE B ARG B 2 346 ? -15.106 -17.011 -72.047 0.50 60.89 ? 347 ARG B NE 1 ? ? +7056 ATOM C CZ A ARG B 2 346 ? -15.330 -15.530 -71.167 0.50 59.87 ? 347 ARG B CZ 1 ? ? +7057 ATOM C CZ B ARG B 2 346 ? -16.266 -17.658 -72.152 0.50 61.53 ? 347 ARG B CZ 1 ? ? +7058 ATOM N NH1 A ARG B 2 346 ? -14.655 -14.408 -70.991 0.50 59.55 ? 347 ARG B NH1 1 ? ? +7059 ATOM N NH1 B ARG B 2 346 ? -16.437 -18.639 -73.024 0.50 61.83 ? 347 ARG B NH1 1 ? ? +7060 ATOM N NH2 A ARG B 2 346 ? -16.497 -15.691 -70.549 0.50 60.22 ? 347 ARG B NH2 1 ? ? +7061 ATOM N NH2 B ARG B 2 346 ? -17.276 -17.317 -71.355 0.50 61.64 ? 347 ARG B NH2 1 ? ? +7062 ATOM N N . ASN B 2 347 ? -8.985 -19.197 -74.348 1.00 60.66 ? 348 ASN B N 1 ? ? +7063 ATOM C CA . ASN B 2 347 ? -7.910 -19.120 -75.327 1.00 61.66 ? 348 ASN B CA 1 ? ? +7064 ATOM C CB . ASN B 2 347 ? -7.499 -20.519 -75.782 1.00 61.49 ? 348 ASN B CB 1 ? ? +7065 ATOM C CG . ASN B 2 347 ? -8.566 -21.252 -76.536 1.00 61.91 ? 348 ASN B CG 1 ? ? +7066 ATOM O OD1 . ASN B 2 347 ? -9.561 -20.674 -76.937 1.00 62.66 ? 348 ASN B OD1 1 ? ? +7067 ATOM N ND2 . ASN B 2 347 ? -8.393 -22.542 -76.744 1.00 61.82 ? 348 ASN B ND2 1 ? ? +7068 ATOM C C . ASN B 2 347 ? -8.365 -18.251 -76.500 1.00 64.05 ? 348 ASN B C 1 ? ? +7069 ATOM O O . ASN B 2 347 ? -9.478 -17.732 -76.495 1.00 64.59 ? 348 ASN B O 1 ? ? +7070 ATOM N N . LYS B 2 348 ? -7.496 -18.096 -77.501 1.00 66.15 ? 349 LYS B N 1 ? ? +7071 ATOM C CA . LYS B 2 348 ? -7.764 -17.249 -78.655 1.00 68.68 ? 349 LYS B CA 1 ? ? +7072 ATOM C CB . LYS B 2 348 ? -6.507 -17.148 -79.556 1.00 70.25 ? 349 LYS B CB 1 ? ? +7073 ATOM C CG . LYS B 2 348 ? -5.912 -18.523 -79.903 1.00 71.47 ? 349 LYS B CG 1 ? ? +7074 ATOM C CD . LYS B 2 348 ? -4.829 -18.520 -80.928 1.00 72.84 ? 349 LYS B CD 1 ? ? +7075 ATOM C CE . LYS B 2 348 ? -3.631 -17.748 -80.486 1.00 73.57 ? 349 LYS B CE 1 ? ? +7076 ATOM N NZ . LYS B 2 348 ? -2.638 -17.634 -81.586 1.00 75.15 ? 349 LYS B NZ 1 ? ? +7077 ATOM C C . LYS B 2 348 ? -8.949 -17.726 -79.493 1.00 70.01 ? 349 LYS B C 1 ? ? +7078 ATOM O O . LYS B 2 348 ? -9.612 -16.906 -80.121 1.00 70.52 ? 349 LYS B O 1 ? ? +7079 ATOM N N . GLU B 2 349 ? -9.218 -19.040 -79.499 1.00 71.33 ? 350 GLU B N 1 ? ? +7080 ATOM C CA . GLU B 2 349 ? -10.410 -19.589 -80.131 1.00 73.18 ? 350 GLU B CA 1 ? ? +7081 ATOM C CB . GLU B 2 349 ? -10.328 -21.132 -80.252 1.00 76.60 ? 350 GLU B CB 1 ? ? +7082 ATOM C CG . GLU B 2 349 ? -9.806 -21.644 -81.582 1.00 80.65 ? 350 GLU B CG 1 ? ? +7083 ATOM C CD . GLU B 2 349 ? -8.328 -21.430 -81.843 1.00 86.53 ? 350 GLU B CD 1 ? ? +7084 ATOM O OE1 . GLU B 2 349 ? -7.565 -21.145 -80.885 1.00 89.50 ? 350 GLU B OE1 1 ? ? +7085 ATOM O OE2 . GLU B 2 349 ? -7.933 -21.548 -83.027 1.00 91.88 ? 350 GLU B OE2 1 ? ? +7086 ATOM C C . GLU B 2 349 ? -11.702 -19.264 -79.384 1.00 71.20 ? 350 GLU B C 1 ? ? +7087 ATOM O O . GLU B 2 349 ? -12.777 -19.515 -79.903 1.00 72.12 ? 350 GLU B O 1 ? ? +7088 ATOM N N . GLY B 2 350 ? -11.595 -18.755 -78.153 1.00 69.13 ? 351 GLY B N 1 ? ? +7089 ATOM C CA . GLY B 2 350 ? -12.751 -18.527 -77.304 1.00 67.90 ? 351 GLY B CA 1 ? ? +7090 ATOM C C . GLY B 2 350 ? -13.166 -19.698 -76.409 1.00 66.83 ? 351 GLY B C 1 ? ? +7091 ATOM O O . GLY B 2 350 ? -14.112 -19.559 -75.640 1.00 66.99 ? 351 GLY B O 1 ? ? +7092 ATOM N N A GLU B 2 351 ? -12.455 -20.829 -76.508 0.50 66.01 ? 352 GLU B N 1 ? ? +7093 ATOM N N B GLU B 2 351 ? -12.471 -20.840 -76.521 0.50 66.09 ? 352 GLU B N 1 ? ? +7094 ATOM C CA A GLU B 2 351 ? -12.719 -21.987 -75.670 0.50 65.39 ? 352 GLU B CA 1 ? ? +7095 ATOM C CA B GLU B 2 351 ? -12.719 -21.992 -75.668 0.50 65.52 ? 352 GLU B CA 1 ? ? +7096 ATOM C C A GLU B 2 351 ? -12.451 -21.650 -74.208 0.50 64.19 ? 352 GLU B C 1 ? ? +7097 ATOM C C B GLU B 2 351 ? -12.449 -21.653 -74.207 0.50 64.26 ? 352 GLU B C 1 ? ? +7098 ATOM O O A GLU B 2 351 ? -11.433 -21.041 -73.890 0.50 63.92 ? 352 GLU B O 1 ? ? +7099 ATOM O O B GLU B 2 351 ? -11.432 -21.042 -73.891 0.50 63.98 ? 352 GLU B O 1 ? ? +7100 ATOM C CB A GLU B 2 351 ? -11.834 -23.185 -76.045 0.50 65.40 ? 352 GLU B CB 1 ? ? +7101 ATOM C CB B GLU B 2 351 ? -11.830 -23.186 -76.068 0.50 65.65 ? 352 GLU B CB 1 ? ? +7102 ATOM C CG A GLU B 2 351 ? -11.731 -23.482 -77.528 0.50 66.44 ? 352 GLU B CG 1 ? ? +7103 ATOM C CG B GLU B 2 351 ? -12.533 -24.337 -76.776 0.50 66.78 ? 352 GLU B CG 1 ? ? +7104 ATOM C CD A GLU B 2 351 ? -10.931 -24.736 -77.831 0.50 66.59 ? 352 GLU B CD 1 ? ? +7105 ATOM C CD B GLU B 2 351 ? -12.811 -25.553 -75.908 0.50 66.99 ? 352 GLU B CD 1 ? ? +7106 ATOM O OE1 A GLU B 2 351 ? -11.424 -25.844 -77.513 0.50 66.74 ? 352 GLU B OE1 1 ? ? +7107 ATOM O OE1 B GLU B 2 351 ? -12.127 -26.584 -76.100 0.50 66.64 ? 352 GLU B OE1 1 ? ? +7108 ATOM O OE2 A GLU B 2 351 ? -9.802 -24.612 -78.364 0.50 66.76 ? 352 GLU B OE2 1 ? ? +7109 ATOM O OE2 B GLU B 2 351 ? -13.721 -25.489 -75.051 0.50 68.05 ? 352 GLU B OE2 1 ? ? +7110 ATOM N N . GLU B 2 352 ? -13.370 -22.061 -73.327 1.00 63.66 ? 353 GLU B N 1 ? ? +7111 ATOM C CA . GLU B 2 352 ? -13.182 -21.913 -71.895 1.00 62.31 ? 353 GLU B CA 1 ? ? +7112 ATOM C CB . GLU B 2 352 ? -14.478 -22.083 -71.124 1.00 62.58 ? 353 GLU B CB 1 ? ? +7113 ATOM C CG . GLU B 2 352 ? -14.316 -21.758 -69.650 1.00 62.35 ? 353 GLU B CG 1 ? ? +7114 ATOM C CD . GLU B 2 352 ? -15.605 -21.664 -68.842 1.00 62.94 ? 353 GLU B CD 1 ? ? +7115 ATOM O OE1 . GLU B 2 352 ? -16.708 -21.854 -69.412 1.00 63.29 ? 353 GLU B OE1 1 ? ? +7116 ATOM O OE2 . GLU B 2 352 ? -15.495 -21.404 -67.619 1.00 62.87 ? 353 GLU B OE2 1 ? ? +7117 ATOM C C . GLU B 2 352 ? -12.156 -22.940 -71.427 1.00 60.95 ? 353 GLU B C 1 ? ? +7118 ATOM O O . GLU B 2 352 ? -12.184 -24.089 -71.864 1.00 61.21 ? 353 GLU B O 1 ? ? +7119 ATOM N N . LEU B 2 353 ? -11.247 -22.505 -70.548 1.00 59.11 ? 354 LEU B N 1 ? ? +7120 ATOM C CA . LEU B 2 353 ? -10.184 -23.356 -70.045 1.00 57.93 ? 354 LEU B CA 1 ? ? +7121 ATOM C CB . LEU B 2 353 ? -8.818 -22.826 -70.465 1.00 57.48 ? 354 LEU B CB 1 ? ? +7122 ATOM C CG . LEU B 2 353 ? -8.559 -22.708 -71.949 1.00 57.95 ? 354 LEU B CG 1 ? ? +7123 ATOM C CD1 . LEU B 2 353 ? -7.106 -22.350 -72.199 1.00 57.69 ? 354 LEU B CD1 1 ? ? +7124 ATOM C CD2 . LEU B 2 353 ? -8.899 -24.002 -72.702 1.00 58.21 ? 354 LEU B CD2 1 ? ? +7125 ATOM C C . LEU B 2 353 ? -10.252 -23.393 -68.524 1.00 56.98 ? 354 LEU B C 1 ? ? +7126 ATOM O O . LEU B 2 353 ? -10.682 -22.424 -67.900 1.00 57.24 ? 354 LEU B O 1 ? ? +7127 ATOM N N . PHE B 2 354 ? -9.808 -24.512 -67.941 1.00 55.95 ? 355 PHE B N 1 ? ? +7128 ATOM C CA . PHE B 2 354 ? -9.890 -24.717 -66.507 1.00 54.89 ? 355 PHE B CA 1 ? ? +7129 ATOM C CB . PHE B 2 354 ? -10.872 -25.836 -66.185 1.00 55.02 ? 355 PHE B CB 1 ? ? +7130 ATOM C CG . PHE B 2 354 ? -12.239 -25.622 -66.803 1.00 55.74 ? 355 PHE B CG 1 ? ? +7131 ATOM C CD1 . PHE B 2 354 ? -12.503 -26.034 -68.096 1.00 56.29 ? 355 PHE B CD1 1 ? ? +7132 ATOM C CD2 . PHE B 2 354 ? -13.237 -24.949 -66.111 1.00 55.76 ? 355 PHE B CD2 1 ? ? +7133 ATOM C CE1 . PHE B 2 354 ? -13.762 -25.839 -68.660 1.00 57.00 ? 355 PHE B CE1 1 ? ? +7134 ATOM C CE2 . PHE B 2 354 ? -14.477 -24.738 -66.687 1.00 56.42 ? 355 PHE B CE2 1 ? ? +7135 ATOM C CZ . PHE B 2 354 ? -14.733 -25.182 -67.958 1.00 56.99 ? 355 PHE B CZ 1 ? ? +7136 ATOM C C . PHE B 2 354 ? -8.501 -25.021 -65.963 1.00 53.99 ? 355 PHE B C 1 ? ? +7137 ATOM O O . PHE B 2 354 ? -7.806 -25.895 -66.467 1.00 53.89 ? 355 PHE B O 1 ? ? +7138 ATOM N N . VAL B 2 355 ? -8.104 -24.273 -64.935 1.00 53.22 ? 356 VAL B N 1 ? ? +7139 ATOM C CA . VAL B 2 355 ? -6.845 -24.484 -64.248 1.00 52.17 ? 356 VAL B CA 1 ? ? +7140 ATOM C CB . VAL B 2 355 ? -6.491 -23.272 -63.395 1.00 51.72 ? 356 VAL B CB 1 ? ? +7141 ATOM C CG1 . VAL B 2 355 ? -5.199 -23.505 -62.632 1.00 51.32 ? 356 VAL B CG1 1 ? ? +7142 ATOM C CG2 . VAL B 2 355 ? -6.398 -22.014 -64.237 1.00 51.97 ? 356 VAL B CG2 1 ? ? +7143 ATOM C C . VAL B 2 355 ? -6.969 -25.723 -63.371 1.00 51.84 ? 356 VAL B C 1 ? ? +7144 ATOM O O . VAL B 2 355 ? -7.919 -25.846 -62.606 1.00 52.51 ? 356 VAL B O 1 ? ? +7145 ATOM N N A ARG B 2 356 ? -6.013 -26.648 -63.492 0.50 51.32 ? 357 ARG B N 1 ? ? +7146 ATOM N N B ARG B 2 356 ? -6.007 -26.637 -63.486 0.50 51.43 ? 357 ARG B N 1 ? ? +7147 ATOM C CA A ARG B 2 356 ? -5.984 -27.825 -62.642 0.50 50.87 ? 357 ARG B CA 1 ? ? +7148 ATOM C CA B ARG B 2 356 ? -6.009 -27.816 -62.645 0.50 51.07 ? 357 ARG B CA 1 ? ? +7149 ATOM C C A ARG B 2 356 ? -5.598 -27.399 -61.228 0.50 50.35 ? 357 ARG B C 1 ? ? +7150 ATOM C C B ARG B 2 356 ? -5.602 -27.402 -61.232 0.50 50.46 ? 357 ARG B C 1 ? ? +7151 ATOM O O A ARG B 2 356 ? -4.539 -26.815 -61.011 0.50 50.24 ? 357 ARG B O 1 ? ? +7152 ATOM O O B ARG B 2 356 ? -4.540 -26.820 -61.017 0.50 50.35 ? 357 ARG B O 1 ? ? +7153 ATOM C CB A ARG B 2 356 ? -5.015 -28.871 -63.207 0.50 50.64 ? 357 ARG B CB 1 ? ? +7154 ATOM C CB B ARG B 2 356 ? -5.099 -28.887 -63.220 0.50 51.03 ? 357 ARG B CB 1 ? ? +7155 ATOM C CG A ARG B 2 356 ? -4.939 -30.171 -62.407 0.50 50.35 ? 357 ARG B CG 1 ? ? +7156 ATOM C CG B ARG B 2 356 ? -5.662 -30.251 -62.972 0.50 51.23 ? 357 ARG B CG 1 ? ? +7157 ATOM C CD A ARG B 2 356 ? -6.300 -30.846 -62.274 0.50 50.66 ? 357 ARG B CD 1 ? ? +7158 ATOM C CD B ARG B 2 356 ? -4.628 -31.143 -62.386 0.50 50.91 ? 357 ARG B CD 1 ? ? +7159 ATOM N NE A ARG B 2 356 ? -6.226 -32.191 -61.709 0.50 50.50 ? 357 ARG B NE 1 ? ? +7160 ATOM N NE B ARG B 2 356 ? -5.234 -32.251 -61.663 0.50 51.00 ? 357 ARG B NE 1 ? ? +7161 ATOM C CZ A ARG B 2 356 ? -5.939 -32.482 -60.443 0.50 50.02 ? 357 ARG B CZ 1 ? ? +7162 ATOM C CZ B ARG B 2 356 ? -5.632 -33.380 -62.223 0.50 51.36 ? 357 ARG B CZ 1 ? ? +7163 ATOM N NH1 A ARG B 2 356 ? -5.798 -31.542 -59.526 0.50 49.72 ? 357 ARG B NH1 1 ? ? +7164 ATOM N NH1 B ARG B 2 356 ? -5.614 -33.547 -63.535 0.50 51.73 ? 357 ARG B NH1 1 ? ? +7165 ATOM N NH2 A ARG B 2 356 ? -5.790 -33.754 -60.090 0.50 49.89 ? 357 ARG B NH2 1 ? ? +7166 ATOM N NH2 B ARG B 2 356 ? -6.041 -34.374 -61.443 0.50 51.38 ? 357 ARG B NH2 1 ? ? +7167 ATOM N N . ARG B 2 357 ? -6.484 -27.676 -60.270 1.00 50.26 ? 358 ARG B N 1 ? ? +7168 ATOM C CA . ARG B 2 357 ? -6.266 -27.300 -58.888 1.00 49.54 ? 358 ARG B CA 1 ? ? +7169 ATOM C CB . ARG B 2 357 ? -7.556 -27.462 -58.091 1.00 49.91 ? 358 ARG B CB 1 ? ? +7170 ATOM C CG . ARG B 2 357 ? -8.554 -26.407 -58.391 1.00 50.55 ? 358 ARG B CG 1 ? ? +7171 ATOM C CD . ARG B 2 357 ? -9.860 -26.680 -57.679 1.00 51.09 ? 358 ARG B CD 1 ? ? +7172 ATOM N NE . ARG B 2 357 ? -10.735 -25.516 -57.741 1.00 51.54 ? 358 ARG B NE 1 ? ? +7173 ATOM C CZ . ARG B 2 357 ? -11.640 -25.213 -56.827 1.00 51.82 ? 358 ARG B CZ 1 ? ? +7174 ATOM N NH1 . ARG B 2 357 ? -11.939 -26.046 -55.847 1.00 51.90 ? 358 ARG B NH1 1 ? ? +7175 ATOM N NH2 . ARG B 2 357 ? -12.248 -24.034 -56.887 1.00 52.11 ? 358 ARG B NH2 1 ? ? +7176 ATOM C C . ARG B 2 357 ? -5.167 -28.129 -58.230 1.00 48.63 ? 358 ARG B C 1 ? ? +7177 ATOM O O . ARG B 2 357 ? -4.965 -29.290 -58.574 1.00 48.66 ? 358 ARG B O 1 ? ? +7178 ATOM N N . MET B 2 358 ? -4.518 -27.513 -57.238 1.00 47.65 ? 359 MET B N 1 ? ? +7179 ATOM C CA . MET B 2 358 ? -3.456 -28.128 -56.466 1.00 46.82 ? 359 MET B CA 1 ? ? +7180 ATOM C CB . MET B 2 358 ? -2.734 -27.032 -55.670 1.00 46.31 ? 359 MET B CB 1 ? ? +7181 ATOM C CG . MET B 2 358 ? -1.810 -27.542 -54.609 1.00 45.81 ? 359 MET B CG 1 ? ? +7182 ATOM S SD . MET B 2 358 ? -1.239 -26.192 -53.575 1.00 45.34 ? 359 MET B SD 1 ? ? +7183 ATOM C CE . MET B 2 358 ? 0.529 -25.981 -54.272 1.00 45.02 ? 359 MET B CE 1 ? ? +7184 ATOM C C . MET B 2 358 ? -3.999 -29.173 -55.495 1.00 46.51 ? 359 MET B C 1 ? ? +7185 ATOM O O . MET B 2 358 ? -4.824 -28.843 -54.642 1.00 46.36 ? 359 MET B O 1 ? ? +7186 ATOM N N . PRO B 2 359 ? -3.517 -30.442 -55.559 1.00 46.14 ? 360 PRO B N 1 ? ? +7187 ATOM C CA . PRO B 2 359 ? -3.761 -31.409 -54.491 1.00 45.79 ? 360 PRO B CA 1 ? ? +7188 ATOM C CB . PRO B 2 359 ? -3.315 -32.750 -55.095 1.00 45.94 ? 360 PRO B CB 1 ? ? +7189 ATOM C CG . PRO B 2 359 ? -2.855 -32.483 -56.470 1.00 46.13 ? 360 PRO B CG 1 ? ? +7190 ATOM C CD . PRO B 2 359 ? -2.766 -31.017 -56.689 1.00 46.12 ? 360 PRO B CD 1 ? ? +7191 ATOM C C . PRO B 2 359 ? -3.006 -31.057 -53.213 1.00 45.01 ? 360 PRO B C 1 ? ? +7192 ATOM O O . PRO B 2 359 ? -1.916 -30.490 -53.260 1.00 44.70 ? 360 PRO B O 1 ? ? +7193 ATOM N N . ALA B 2 360 ? -3.599 -31.409 -52.069 1.00 44.64 ? 361 ALA B N 1 ? ? +7194 ATOM C CA . ALA B 2 360 ? -3.045 -31.061 -50.777 1.00 44.01 ? 361 ALA B CA 1 ? ? +7195 ATOM C CB . ALA B 2 360 ? -3.928 -31.541 -49.661 1.00 44.01 ? 361 ALA B CB 1 ? ? +7196 ATOM C C . ALA B 2 360 ? -1.644 -31.630 -50.587 1.00 43.57 ? 361 ALA B C 1 ? ? +7197 ATOM O O . ALA B 2 360 ? -0.918 -31.151 -49.734 1.00 43.21 ? 361 ALA B O 1 ? ? +7198 ATOM N N . PHE B 2 361 ? -1.284 -32.680 -51.333 1.00 43.60 ? 362 PHE B N 1 ? ? +7199 ATOM C CA . PHE B 2 361 ? 0.004 -33.324 -51.125 1.00 43.25 ? 362 PHE B CA 1 ? ? +7200 ATOM C CB . PHE B 2 361 ? 0.163 -34.642 -51.917 1.00 43.40 ? 362 PHE B CB 1 ? ? +7201 ATOM C CG . PHE B 2 361 ? -0.012 -35.910 -51.115 1.00 43.39 ? 362 PHE B CG 1 ? ? +7202 ATOM C CD1 . PHE B 2 361 ? 0.701 -36.116 -49.953 1.00 43.09 ? 362 PHE B CD1 1 ? ? +7203 ATOM C CD2 . PHE B 2 361 ? -0.844 -36.915 -51.552 1.00 43.72 ? 362 PHE B CD2 1 ? ? +7204 ATOM C CE1 . PHE B 2 361 ? 0.543 -37.282 -49.222 1.00 43.15 ? 362 PHE B CE1 1 ? ? +7205 ATOM C CE2 . PHE B 2 361 ? -0.985 -38.080 -50.826 1.00 43.81 ? 362 PHE B CE2 1 ? ? +7206 ATOM C CZ . PHE B 2 361 ? -0.306 -38.253 -49.661 1.00 43.52 ? 362 PHE B CZ 1 ? ? +7207 ATOM C C . PHE B 2 361 ? 1.144 -32.398 -51.511 1.00 42.97 ? 362 PHE B C 1 ? ? +7208 ATOM O O . PHE B 2 361 ? 2.217 -32.549 -50.971 1.00 42.82 ? 362 PHE B O 1 ? ? +7209 ATOM N N . PHE B 2 362 ? 0.888 -31.461 -52.431 1.00 43.09 ? 363 PHE B N 1 ? ? +7210 ATOM C CA . PHE B 2 362 ? 1.923 -30.730 -53.135 1.00 42.93 ? 363 PHE B CA 1 ? ? +7211 ATOM C CB . PHE B 2 362 ? 1.552 -30.555 -54.601 1.00 43.27 ? 363 PHE B CB 1 ? ? +7212 ATOM C CG . PHE B 2 362 ? 1.494 -31.827 -55.413 1.00 43.59 ? 363 PHE B CG 1 ? ? +7213 ATOM C CD1 . PHE B 2 362 ? 0.426 -32.709 -55.284 1.00 43.86 ? 363 PHE B CD1 1 ? ? +7214 ATOM C CD2 . PHE B 2 362 ? 2.481 -32.129 -56.326 1.00 43.64 ? 363 PHE B CD2 1 ? ? +7215 ATOM C CE1 . PHE B 2 362 ? 0.371 -33.871 -56.026 1.00 44.12 ? 363 PHE B CE1 1 ? ? +7216 ATOM C CE2 . PHE B 2 362 ? 2.415 -33.291 -57.074 1.00 43.93 ? 363 PHE B CE2 1 ? ? +7217 ATOM C CZ . PHE B 2 362 ? 1.350 -34.152 -56.924 1.00 44.18 ? 363 PHE B CZ 1 ? ? +7218 ATOM C C . PHE B 2 362 ? 2.203 -29.345 -52.563 1.00 42.69 ? 363 PHE B C 1 ? ? +7219 ATOM O O . PHE B 2 362 ? 1.330 -28.486 -52.551 1.00 42.79 ? 363 PHE B O 1 ? ? +7220 ATOM N N . GLU B 2 363 ? 3.454 -29.119 -52.137 1.00 42.37 ? 364 GLU B N 1 ? ? +7221 ATOM C CA . GLU B 2 363 ? 3.896 -27.804 -51.706 1.00 42.13 ? 364 GLU B CA 1 ? ? +7222 ATOM C CB . GLU B 2 363 ? 5.288 -27.902 -51.088 1.00 41.80 ? 364 GLU B CB 1 ? ? +7223 ATOM C CG . GLU B 2 363 ? 5.273 -28.724 -49.804 1.00 41.63 ? 364 GLU B CG 1 ? ? +7224 ATOM C CD . GLU B 2 363 ? 4.843 -27.977 -48.569 1.00 41.42 ? 364 GLU B CD 1 ? ? +7225 ATOM O OE1 . GLU B 2 363 ? 4.753 -26.735 -48.633 1.00 41.38 ? 364 GLU B OE1 1 ? ? +7226 ATOM O OE2 . GLU B 2 363 ? 4.700 -28.614 -47.506 1.00 41.34 ? 364 GLU B OE2 1 ? ? +7227 ATOM C C . GLU B 2 363 ? 3.894 -26.826 -52.872 1.00 42.31 ? 364 GLU B C 1 ? ? +7228 ATOM O O . GLU B 2 363 ? 3.613 -25.649 -52.711 1.00 42.25 ? 364 GLU B O 1 ? ? +7229 ATOM N N . SER B 2 364 ? 4.186 -27.333 -54.062 1.00 42.63 ? 365 SER B N 1 ? ? +7230 ATOM C CA . SER B 2 364 ? 4.191 -26.520 -55.264 1.00 42.96 ? 365 SER B CA 1 ? ? +7231 ATOM C CB . SER B 2 364 ? 5.628 -26.121 -55.651 1.00 42.83 ? 365 SER B CB 1 ? ? +7232 ATOM O OG . SER B 2 364 ? 6.368 -27.245 -56.086 1.00 42.87 ? 365 SER B OG 1 ? ? +7233 ATOM C C . SER B 2 364 ? 3.552 -27.368 -56.352 1.00 43.46 ? 365 SER B C 1 ? ? +7234 ATOM O O . SER B 2 364 ? 3.574 -28.588 -56.283 1.00 43.61 ? 365 SER B O 1 ? ? +7235 ATOM N N . PHE B 2 365 ? 3.034 -26.718 -57.385 1.00 43.91 ? 366 PHE B N 1 ? ? +7236 ATOM C CA . PHE B 2 365 ? 2.296 -27.417 -58.417 1.00 44.44 ? 366 PHE B CA 1 ? ? +7237 ATOM C CB . PHE B 2 365 ? 0.824 -27.609 -57.968 1.00 44.67 ? 366 PHE B CB 1 ? ? +7238 ATOM C CG . PHE B 2 365 ? 0.103 -28.671 -58.752 1.00 45.07 ? 366 PHE B CG 1 ? ? +7239 ATOM C CD1 . PHE B 2 365 ? 0.420 -30.006 -58.586 1.00 45.05 ? 366 PHE B CD1 1 ? ? +7240 ATOM C CD2 . PHE B 2 365 ? -0.853 -28.332 -59.682 1.00 45.53 ? 366 PHE B CD2 1 ? ? +7241 ATOM C CE1 . PHE B 2 365 ? -0.213 -30.981 -59.324 1.00 45.44 ? 366 PHE B CE1 1 ? ? +7242 ATOM C CE2 . PHE B 2 365 ? -1.509 -29.316 -60.414 1.00 45.95 ? 366 PHE B CE2 1 ? ? +7243 ATOM C CZ . PHE B 2 365 ? -1.187 -30.635 -60.231 1.00 45.92 ? 366 PHE B CZ 1 ? ? +7244 ATOM C C . PHE B 2 365 ? 2.395 -26.612 -59.706 1.00 44.86 ? 366 PHE B C 1 ? ? +7245 ATOM O O . PHE B 2 365 ? 2.398 -25.389 -59.681 1.00 44.82 ? 366 PHE B O 1 ? ? +7246 ATOM N N . PRO B 2 366 ? 2.536 -27.253 -60.879 1.00 45.46 ? 367 PRO B N 1 ? ? +7247 ATOM C CA . PRO B 2 366 ? 2.585 -26.509 -62.131 1.00 46.03 ? 367 PRO B CA 1 ? ? +7248 ATOM C CB . PRO B 2 366 ? 3.060 -27.547 -63.128 1.00 46.19 ? 367 PRO B CB 1 ? ? +7249 ATOM C CG . PRO B 2 366 ? 2.704 -28.862 -62.536 1.00 46.09 ? 367 PRO B CG 1 ? ? +7250 ATOM C CD . PRO B 2 366 ? 2.704 -28.704 -61.056 1.00 45.65 ? 367 PRO B CD 1 ? ? +7251 ATOM C C . PRO B 2 366 ? 1.208 -25.951 -62.477 1.00 46.82 ? 367 PRO B C 1 ? ? +7252 ATOM O O . PRO B 2 366 ? 0.207 -26.356 -61.896 1.00 47.07 ? 367 PRO B O 1 ? ? +7253 ATOM N N . VAL B 2 367 ? 1.184 -25.005 -63.417 1.00 47.48 ? 368 VAL B N 1 ? ? +7254 ATOM C CA . VAL B 2 367 ? -0.024 -24.359 -63.878 1.00 48.13 ? 368 VAL B CA 1 ? ? +7255 ATOM C CB . VAL B 2 367 ? 0.217 -22.851 -63.982 1.00 48.11 ? 368 VAL B CB 1 ? ? +7256 ATOM C CG1 . VAL B 2 367 ? -0.927 -22.128 -64.690 1.00 48.62 ? 368 VAL B CG1 1 ? ? +7257 ATOM C CG2 . VAL B 2 367 ? 0.456 -22.265 -62.606 1.00 47.68 ? 368 VAL B CG2 1 ? ? +7258 ATOM C C . VAL B 2 367 ? -0.403 -24.983 -65.211 1.00 49.08 ? 368 VAL B C 1 ? ? +7259 ATOM O O . VAL B 2 367 ? 0.274 -24.761 -66.205 1.00 49.37 ? 368 VAL B O 1 ? ? +7260 ATOM N N . ILE B 2 368 ? -1.487 -25.766 -65.213 1.00 49.88 ? 369 ILE B N 1 ? ? +7261 ATOM C CA . ILE B 2 368 ? -1.952 -26.443 -66.411 1.00 50.74 ? 369 ILE B CA 1 ? ? +7262 ATOM C CB . ILE B 2 368 ? -1.650 -27.940 -66.276 1.00 50.82 ? 369 ILE B CB 1 ? ? +7263 ATOM C CG1 . ILE B 2 368 ? -0.105 -28.145 -66.194 1.00 50.70 ? 369 ILE B CG1 1 ? ? +7264 ATOM C CG2 . ILE B 2 368 ? -2.265 -28.741 -67.399 1.00 51.35 ? 369 ILE B CG2 1 ? ? +7265 ATOM C CD1 . ILE B 2 368 ? 0.362 -29.523 -65.875 1.00 50.70 ? 369 ILE B CD1 1 ? ? +7266 ATOM C C . ILE B 2 368 ? -3.432 -26.131 -66.604 1.00 51.56 ? 369 ILE B C 1 ? ? +7267 ATOM O O . ILE B 2 368 ? -4.199 -26.173 -65.649 1.00 51.22 ? 369 ILE B O 1 ? ? +7268 ATOM N N . LEU B 2 369 ? -3.802 -25.796 -67.845 1.00 52.68 ? 370 LEU B N 1 ? ? +7269 ATOM C CA . LEU B 2 369 ? -5.173 -25.453 -68.194 1.00 53.65 ? 370 LEU B CA 1 ? ? +7270 ATOM C CB . LEU B 2 369 ? -5.288 -24.019 -68.748 1.00 53.83 ? 370 LEU B CB 1 ? ? +7271 ATOM C CG . LEU B 2 369 ? -5.128 -22.894 -67.719 1.00 53.44 ? 370 LEU B CG 1 ? ? +7272 ATOM C CD1 . LEU B 2 369 ? -3.697 -22.675 -67.328 1.00 53.13 ? 370 LEU B CD1 1 ? ? +7273 ATOM C CD2 . LEU B 2 369 ? -5.668 -21.596 -68.230 1.00 53.78 ? 370 LEU B CD2 1 ? ? +7274 ATOM C C . LEU B 2 369 ? -5.693 -26.447 -69.225 1.00 54.73 ? 370 LEU B C 1 ? ? +7275 ATOM O O . LEU B 2 369 ? -5.087 -26.635 -70.276 1.00 54.87 ? 370 LEU B O 1 ? ? +7276 ATOM N N . THR B 2 370 ? -6.818 -27.092 -68.890 1.00 55.87 ? 371 THR B N 1 ? ? +7277 ATOM C CA . THR B 2 370 ? -7.455 -28.055 -69.775 1.00 57.16 ? 371 THR B CA 1 ? ? +7278 ATOM C CB . THR B 2 370 ? -7.702 -29.365 -69.056 1.00 57.17 ? 371 THR B CB 1 ? ? +7279 ATOM O OG1 . THR B 2 370 ? -8.421 -29.093 -67.876 1.00 56.97 ? 371 THR B OG1 1 ? ? +7280 ATOM C CG2 . THR B 2 370 ? -6.411 -30.074 -68.675 1.00 56.96 ? 371 THR B CG2 1 ? ? +7281 ATOM C C . THR B 2 370 ? -8.759 -27.479 -70.296 1.00 58.17 ? 371 THR B C 1 ? ? +7282 ATOM O O . THR B 2 370 ? -9.285 -26.541 -69.712 1.00 58.18 ? 371 THR B O 1 ? ? +7283 ATOM N N . ASP B 2 371 ? -9.256 -28.047 -71.399 1.00 59.89 ? 372 ASP B N 1 ? ? +7284 ATOM C CA . ASP B 2 371 ? -10.635 -27.840 -71.817 1.00 61.19 ? 372 ASP B CA 1 ? ? +7285 ATOM C CB . ASP B 2 371 ? -10.795 -28.150 -73.308 1.00 61.82 ? 372 ASP B CB 1 ? ? +7286 ATOM C CG . ASP B 2 371 ? -10.531 -29.576 -73.724 1.00 61.90 ? 372 ASP B CG 1 ? ? +7287 ATOM O OD1 . ASP B 2 371 ? -10.352 -30.444 -72.819 1.00 61.30 ? 372 ASP B OD1 1 ? ? +7288 ATOM O OD2 . ASP B 2 371 ? -10.468 -29.827 -74.959 1.00 62.31 ? 372 ASP B OD2 1 ? ? +7289 ATOM C C . ASP B 2 371 ? -11.556 -28.701 -70.953 1.00 62.41 ? 372 ASP B C 1 ? ? +7290 ATOM O O . ASP B 2 371 ? -11.076 -29.448 -70.100 1.00 61.56 ? 372 ASP B O 1 ? ? +7291 ATOM N N . LYS B 2 372 ? -12.878 -28.611 -71.180 1.00 65.14 ? 373 LYS B N 1 ? ? +7292 ATOM C CA . LYS B 2 372 ? -13.834 -29.308 -70.329 1.00 66.63 ? 373 LYS B CA 1 ? ? +7293 ATOM C CB . LYS B 2 372 ? -15.273 -28.912 -70.672 1.00 69.64 ? 373 LYS B CB 1 ? ? +7294 ATOM C CG . LYS B 2 372 ? -15.775 -29.302 -72.053 1.00 72.57 ? 373 LYS B CG 1 ? ? +7295 ATOM C CD . LYS B 2 372 ? -17.166 -28.660 -72.321 1.00 74.96 ? 373 LYS B CD 1 ? ? +7296 ATOM C CE . LYS B 2 372 ? -17.787 -29.088 -73.628 1.00 77.82 ? 373 LYS B CE 1 ? ? +7297 ATOM N NZ . LYS B 2 372 ? -16.928 -28.698 -74.783 1.00 79.40 ? 373 LYS B NZ 1 ? ? +7298 ATOM C C . LYS B 2 372 ? -13.649 -30.825 -70.370 1.00 66.87 ? 373 LYS B C 1 ? ? +7299 ATOM O O . LYS B 2 372 ? -13.905 -31.500 -69.373 1.00 66.00 ? 373 LYS B O 1 ? ? +7300 ATOM N N . ASN B 2 373 ? -13.145 -31.343 -71.506 1.00 67.96 ? 374 ASN B N 1 ? ? +7301 ATOM C CA . ASN B 2 373 ? -12.752 -32.743 -71.636 1.00 68.50 ? 374 ASN B CA 1 ? ? +7302 ATOM C CB . ASN B 2 373 ? -12.672 -33.097 -73.104 1.00 70.11 ? 374 ASN B CB 1 ? ? +7303 ATOM C CG . ASN B 2 373 ? -13.999 -33.048 -73.757 1.00 72.73 ? 374 ASN B CG 1 ? ? +7304 ATOM O OD1 . ASN B 2 373 ? -15.032 -32.745 -73.128 1.00 75.11 ? 374 ASN B OD1 1 ? ? +7305 ATOM N ND2 . ASN B 2 373 ? -14.008 -33.362 -75.030 1.00 74.54 ? 374 ASN B ND2 1 ? ? +7306 ATOM C C . ASN B 2 373 ? -11.412 -33.145 -71.015 1.00 67.29 ? 374 ASN B C 1 ? ? +7307 ATOM O O . ASN B 2 373 ? -10.986 -34.289 -71.158 1.00 67.72 ? 374 ASN B O 1 ? ? +7308 ATOM N N . GLY B 2 374 ? -10.727 -32.209 -70.362 1.00 65.47 ? 375 GLY B N 1 ? ? +7309 ATOM C CA . GLY B 2 374 ? -9.468 -32.526 -69.708 1.00 64.80 ? 375 GLY B CA 1 ? ? +7310 ATOM C C . GLY B 2 374 ? -8.249 -32.640 -70.623 1.00 63.55 ? 375 GLY B C 1 ? ? +7311 ATOM O O . GLY B 2 374 ? -7.224 -33.154 -70.195 1.00 62.82 ? 375 GLY B O 1 ? ? +7312 ATOM N N . VAL B 2 375 ? -8.365 -32.156 -71.867 1.00 63.22 ? 376 VAL B N 1 ? ? +7313 ATOM C CA . VAL B 2 375 ? -7.237 -32.072 -72.783 1.00 62.52 ? 376 VAL B CA 1 ? ? +7314 ATOM C CB . VAL B 2 375 ? -7.694 -32.099 -74.262 1.00 63.71 ? 376 VAL B CB 1 ? ? +7315 ATOM C CG1 . VAL B 2 375 ? -6.525 -31.901 -75.217 1.00 63.55 ? 376 VAL B CG1 1 ? ? +7316 ATOM C CG2 . VAL B 2 375 ? -8.445 -33.386 -74.591 1.00 64.65 ? 376 VAL B CG2 1 ? ? +7317 ATOM C C . VAL B 2 375 ? -6.457 -30.795 -72.486 1.00 61.28 ? 376 VAL B C 1 ? ? +7318 ATOM O O . VAL B 2 375 ? -7.064 -29.734 -72.337 1.00 61.06 ? 376 VAL B O 1 ? ? +7319 ATOM N N . VAL B 2 376 ? -5.117 -30.914 -72.422 1.00 59.83 ? 377 VAL B N 1 ? ? +7320 ATOM C CA . VAL B 2 376 ? -4.244 -29.793 -72.109 1.00 58.72 ? 377 VAL B CA 1 ? ? +7321 ATOM C CB . VAL B 2 376 ? -2.792 -30.251 -71.841 1.00 58.22 ? 377 VAL B CB 1 ? ? +7322 ATOM C CG1 . VAL B 2 376 ? -1.863 -29.056 -71.632 1.00 57.86 ? 377 VAL B CG1 1 ? ? +7323 ATOM C CG2 . VAL B 2 376 ? -2.714 -31.208 -70.659 1.00 57.68 ? 377 VAL B CG2 1 ? ? +7324 ATOM C C . VAL B 2 376 ? -4.264 -28.790 -73.256 1.00 58.88 ? 377 VAL B C 1 ? ? +7325 ATOM O O . VAL B 2 376 ? -4.074 -29.169 -74.408 1.00 59.37 ? 377 VAL B O 1 ? ? +7326 ATOM N N . LYS B 2 377 ? -4.498 -27.515 -72.927 1.00 58.48 ? 378 LYS B N 1 ? ? +7327 ATOM C CA . LYS B 2 377 ? -4.551 -26.453 -73.920 1.00 58.62 ? 378 LYS B CA 1 ? ? +7328 ATOM C CB . LYS B 2 377 ? -5.970 -25.881 -74.007 1.00 59.74 ? 378 LYS B CB 1 ? ? +7329 ATOM C CG . LYS B 2 377 ? -6.993 -26.875 -74.486 1.00 60.89 ? 378 LYS B CG 1 ? ? +7330 ATOM C CD . LYS B 2 377 ? -6.821 -27.248 -75.922 1.00 61.95 ? 378 LYS B CD 1 ? ? +7331 ATOM C CE . LYS B 2 377 ? -8.139 -27.732 -76.463 1.00 63.34 ? 378 LYS B CE 1 ? ? +7332 ATOM N NZ . LYS B 2 377 ? -8.239 -27.508 -77.918 1.00 64.71 ? 378 LYS B NZ 1 ? ? +7333 ATOM C C . LYS B 2 377 ? -3.590 -25.303 -73.635 1.00 57.33 ? 378 LYS B C 1 ? ? +7334 ATOM O O . LYS B 2 377 ? -3.210 -24.577 -74.543 1.00 57.64 ? 378 LYS B O 1 ? ? +7335 ATOM N N . ALA B 2 378 ? -3.212 -25.122 -72.373 1.00 56.00 ? 379 ALA B N 1 ? ? +7336 ATOM C CA . ALA B 2 378 ? -2.269 -24.081 -72.029 1.00 55.16 ? 379 ALA B CA 1 ? ? +7337 ATOM C CB . ALA B 2 378 ? -2.981 -22.755 -71.946 1.00 55.47 ? 379 ALA B CB 1 ? ? +7338 ATOM C C . ALA B 2 378 ? -1.570 -24.401 -70.716 1.00 54.04 ? 379 ALA B C 1 ? ? +7339 ATOM O O . ALA B 2 378 ? -2.114 -25.110 -69.869 1.00 53.62 ? 379 ALA B O 1 ? ? +7340 ATOM N N . ASP B 2 379 ? -0.343 -23.884 -70.580 1.00 53.19 ? 380 ASP B N 1 ? ? +7341 ATOM C CA . ASP B 2 379 ? 0.430 -24.058 -69.365 1.00 52.20 ? 380 ASP B CA 1 ? ? +7342 ATOM C CB . ASP B 2 379 ? 1.135 -25.418 -69.365 1.00 51.96 ? 380 ASP B CB 1 ? ? +7343 ATOM C CG . ASP B 2 379 ? 2.066 -25.676 -70.536 1.00 52.20 ? 380 ASP B CG 1 ? ? +7344 ATOM O OD1 . ASP B 2 379 ? 2.764 -24.729 -70.967 1.00 52.11 ? 380 ASP B OD1 1 ? ? +7345 ATOM O OD2 . ASP B 2 379 ? 2.127 -26.835 -70.999 1.00 52.42 ? 380 ASP B OD2 1 ? ? +7346 ATOM C C . ASP B 2 379 ? 1.443 -22.930 -69.195 1.00 51.75 ? 380 ASP B C 1 ? ? +7347 ATOM O O . ASP B 2 379 ? 1.618 -22.106 -70.089 1.00 52.13 ? 380 ASP B O 1 ? ? +7348 ATOM N N . ILE B 2 380 ? 2.084 -22.888 -68.024 1.00 50.98 ? 381 ILE B N 1 ? ? +7349 ATOM C CA . ILE B 2 380 ? 3.274 -22.072 -67.846 1.00 50.74 ? 381 ILE B CA 1 ? ? +7350 ATOM C CB . ILE B 2 380 ? 3.295 -21.326 -66.509 1.00 50.39 ? 381 ILE B CB 1 ? ? +7351 ATOM C CG1 . ILE B 2 380 ? 2.088 -20.392 -66.403 1.00 50.44 ? 381 ILE B CG1 1 ? ? +7352 ATOM C CG2 . ILE B 2 380 ? 4.601 -20.574 -66.343 1.00 50.30 ? 381 ILE B CG2 1 ? ? +7353 ATOM C CD1 . ILE B 2 380 ? 1.951 -19.767 -65.118 1.00 50.05 ? 381 ILE B CD1 1 ? ? +7354 ATOM C C . ILE B 2 380 ? 4.475 -22.995 -68.029 1.00 50.28 ? 381 ILE B C 1 ? ? +7355 ATOM O O . ILE B 2 380 ? 4.711 -23.898 -67.235 1.00 49.82 ? 381 ILE B O 1 ? ? +7356 ATOM N N . PRO B 2 381 ? 5.244 -22.836 -69.117 1.00 50.49 ? 382 PRO B N 1 ? ? +7357 ATOM C CA . PRO B 2 381 ? 6.354 -23.735 -69.395 1.00 50.52 ? 382 PRO B CA 1 ? ? +7358 ATOM C CB . PRO B 2 381 ? 6.687 -23.406 -70.841 1.00 51.09 ? 382 PRO B CB 1 ? ? +7359 ATOM C CG . PRO B 2 381 ? 6.322 -21.969 -70.969 1.00 51.22 ? 382 PRO B CG 1 ? ? +7360 ATOM C CD . PRO B 2 381 ? 5.104 -21.784 -70.130 1.00 51.01 ? 382 PRO B CD 1 ? ? +7361 ATOM C C . PRO B 2 381 ? 7.556 -23.511 -68.482 1.00 49.92 ? 382 PRO B C 1 ? ? +7362 ATOM O O . PRO B 2 381 ? 7.762 -22.418 -67.966 1.00 49.70 ? 382 PRO B O 1 ? ? +7363 ATOM N N A PHE B 2 382 ? 8.326 -24.582 -68.281 0.40 49.82 ? 383 PHE B N 1 ? ? +7364 ATOM N N B PHE B 2 382 ? 8.321 -24.583 -68.279 0.60 49.71 ? 383 PHE B N 1 ? ? +7365 ATOM C CA A PHE B 2 382 ? 9.571 -24.527 -67.538 0.40 49.60 ? 383 PHE B CA 1 ? ? +7366 ATOM C CA B PHE B 2 382 ? 9.567 -24.526 -67.539 0.60 49.42 ? 383 PHE B CA 1 ? ? +7367 ATOM C C A PHE B 2 382 ? 10.678 -24.229 -68.547 0.40 50.16 ? 383 PHE B C 1 ? ? +7368 ATOM C C B PHE B 2 382 ? 10.675 -24.238 -68.551 0.60 49.99 ? 383 PHE B C 1 ? ? +7369 ATOM O O A PHE B 2 382 ? 11.234 -23.135 -68.547 0.40 50.08 ? 383 PHE B O 1 ? ? +7370 ATOM O O B PHE B 2 382 ? 11.232 -23.145 -68.552 0.60 49.88 ? 383 PHE B O 1 ? ? +7371 ATOM C CB A PHE B 2 382 ? 9.770 -25.832 -66.767 0.40 49.18 ? 383 PHE B CB 1 ? ? +7372 ATOM C CB B PHE B 2 382 ? 9.756 -25.817 -66.744 0.60 48.94 ? 383 PHE B CB 1 ? ? +7373 ATOM C CG A PHE B 2 382 ? 10.888 -25.804 -65.763 0.40 48.74 ? 383 PHE B CG 1 ? ? +7374 ATOM C CG B PHE B 2 382 ? 10.874 -25.766 -65.746 0.60 48.45 ? 383 PHE B CG 1 ? ? +7375 ATOM C CD1 A PHE B 2 382 ? 12.208 -25.955 -66.164 0.40 48.70 ? 383 PHE B CD1 1 ? ? +7376 ATOM C CD1 B PHE B 2 382 ? 12.197 -25.926 -66.149 0.60 48.38 ? 383 PHE B CD1 1 ? ? +7377 ATOM C CD2 A PHE B 2 382 ? 10.626 -25.612 -64.419 0.40 48.26 ? 383 PHE B CD2 1 ? ? +7378 ATOM C CD2 B PHE B 2 382 ? 10.616 -25.543 -64.405 0.60 47.94 ? 383 PHE B CD2 1 ? ? +7379 ATOM C CE1 A PHE B 2 382 ? 13.235 -25.933 -65.236 0.40 48.33 ? 383 PHE B CE1 1 ? ? +7380 ATOM C CE1 B PHE B 2 382 ? 13.227 -25.883 -65.224 0.60 47.96 ? 383 PHE B CE1 1 ? ? +7381 ATOM C CE2 A PHE B 2 382 ? 11.659 -25.587 -63.497 0.40 47.94 ? 383 PHE B CE2 1 ? ? +7382 ATOM C CE2 B PHE B 2 382 ? 11.653 -25.497 -63.488 0.60 47.63 ? 383 PHE B CE2 1 ? ? +7383 ATOM C CZ A PHE B 2 382 ? 12.956 -25.752 -63.910 0.40 47.95 ? 383 PHE B CZ 1 ? ? +7384 ATOM C CZ B PHE B 2 382 ? 12.951 -25.674 -63.901 0.60 47.60 ? 383 PHE B CZ 1 ? ? +7385 ATOM N N A ARG B 2 383 ? 10.952 -25.198 -69.430 0.40 50.85 ? 384 ARG B N 1 ? ? +7386 ATOM N N B ARG B 2 383 ? 10.945 -25.205 -69.440 0.60 50.69 ? 384 ARG B N 1 ? ? +7387 ATOM C CA A ARG B 2 383 ? 11.785 -24.971 -70.600 0.40 51.59 ? 384 ARG B CA 1 ? ? +7388 ATOM C CA B ARG B 2 383 ? 11.784 -24.978 -70.605 0.60 51.47 ? 384 ARG B CA 1 ? ? +7389 ATOM C C A ARG B 2 383 ? 10.970 -24.296 -71.698 0.40 52.60 ? 384 ARG B C 1 ? ? +7390 ATOM C C B ARG B 2 383 ? 10.970 -24.296 -71.699 0.60 52.54 ? 384 ARG B C 1 ? ? +7391 ATOM O O A ARG B 2 383 ? 10.011 -24.880 -72.196 0.40 52.99 ? 384 ARG B O 1 ? ? +7392 ATOM O O B ARG B 2 383 ? 10.012 -24.880 -72.198 0.60 52.99 ? 384 ARG B O 1 ? ? +7393 ATOM C CB A ARG B 2 383 ? 12.353 -26.293 -71.142 0.40 51.64 ? 384 ARG B CB 1 ? ? +7394 ATOM C CB B ARG B 2 383 ? 12.348 -26.298 -71.158 0.60 51.49 ? 384 ARG B CB 1 ? ? +7395 ATOM C CG A ARG B 2 383 ? 13.536 -26.847 -70.364 0.40 51.21 ? 384 ARG B CG 1 ? ? +7396 ATOM C CG B ARG B 2 383 ? 13.525 -26.859 -70.384 0.60 51.05 ? 384 ARG B CG 1 ? ? +7397 ATOM C CD A ARG B 2 383 ? 13.986 -28.176 -70.927 0.40 51.32 ? 384 ARG B CD 1 ? ? +7398 ATOM C CD B ARG B 2 383 ? 13.949 -28.191 -70.951 0.60 51.14 ? 384 ARG B CD 1 ? ? +7399 ATOM N NE A ARG B 2 383 ? 15.146 -28.691 -70.213 0.40 51.12 ? 384 ARG B NE 1 ? ? +7400 ATOM N NE B ARG B 2 383 ? 15.049 -28.767 -70.192 0.60 50.93 ? 384 ARG B NE 1 ? ? +7401 ATOM C CZ A ARG B 2 383 ? 15.871 -29.731 -70.601 0.40 51.21 ? 384 ARG B CZ 1 ? ? +7402 ATOM C CZ B ARG B 2 383 ? 15.811 -29.771 -70.609 0.60 51.03 ? 384 ARG B CZ 1 ? ? +7403 ATOM N NH1 A ARG B 2 383 ? 15.473 -30.521 -71.582 0.40 51.58 ? 384 ARG B NH1 1 ? ? +7404 ATOM N NH1 B ARG B 2 383 ? 15.424 -30.564 -71.593 0.60 51.42 ? 384 ARG B NH1 1 ? ? +7405 ATOM N NH2 A ARG B 2 383 ? 17.021 -29.990 -69.981 0.40 50.93 ? 384 ARG B NH2 1 ? ? +7406 ATOM N NH2 B ARG B 2 383 ? 16.981 -29.994 -70.012 0.60 50.74 ? 384 ARG B NH2 1 ? ? +7407 ATOM N N . ARG B 2 384 ? 11.373 -23.079 -72.083 1.00 53.26 ? 385 ARG B N 1 ? ? +7408 ATOM C CA . ARG B 2 384 ? 10.669 -22.322 -73.107 1.00 54.51 ? 385 ARG B CA 1 ? ? +7409 ATOM C CB . ARG B 2 384 ? 11.017 -20.834 -73.055 1.00 55.12 ? 385 ARG B CB 1 ? ? +7410 ATOM C CG . ARG B 2 384 ? 10.077 -19.997 -72.198 1.00 55.59 ? 385 ARG B CG 1 ? ? +7411 ATOM C CD . ARG B 2 384 ? 10.205 -20.384 -70.783 1.00 55.42 ? 385 ARG B CD 1 ? ? +7412 ATOM N NE . ARG B 2 384 ? 9.600 -19.434 -69.862 1.00 55.19 ? 385 ARG B NE 1 ? ? +7413 ATOM C CZ . ARG B 2 384 ? 9.992 -19.285 -68.605 1.00 55.43 ? 385 ARG B CZ 1 ? ? +7414 ATOM N NH1 . ARG B 2 384 ? 10.747 -20.198 -67.995 1.00 55.82 ? 385 ARG B NH1 1 ? ? +7415 ATOM N NH2 . ARG B 2 384 ? 9.638 -18.186 -67.946 1.00 55.41 ? 385 ARG B NH2 1 ? ? +7416 ATOM C C . ARG B 2 384 ? 10.936 -22.803 -74.527 1.00 55.97 ? 385 ARG B C 1 ? ? +7417 ATOM O O . ARG B 2 384 ? 10.109 -22.599 -75.405 1.00 56.22 ? 385 ARG B O 1 ? ? +7418 ATOM N N . ALA B 2 385 ? 12.100 -23.413 -74.754 1.00 57.65 ? 386 ALA B N 1 ? ? +7419 ATOM C CA . ALA B 2 385 ? 12.590 -23.612 -76.108 1.00 59.74 ? 386 ALA B CA 1 ? ? +7420 ATOM C CB . ALA B 2 385 ? 14.043 -24.002 -76.077 1.00 59.72 ? 386 ALA B CB 1 ? ? +7421 ATOM C C . ALA B 2 385 ? 11.814 -24.625 -76.949 1.00 62.49 ? 386 ALA B C 1 ? ? +7422 ATOM O O . ALA B 2 385 ? 11.993 -24.643 -78.161 1.00 65.63 ? 386 ALA B O 1 ? ? +7423 ATOM N N . GLU B 2 386 ? 10.976 -25.475 -76.343 1.00 63.48 ? 387 GLU B N 1 ? ? +7424 ATOM C CA . GLU B 2 386 ? 10.086 -26.312 -77.137 1.00 65.46 ? 387 GLU B CA 1 ? ? +7425 ATOM C CB . GLU B 2 386 ? 10.591 -27.771 -77.179 1.00 68.85 ? 387 GLU B CB 1 ? ? +7426 ATOM C CG . GLU B 2 386 ? 11.841 -27.956 -78.047 1.00 72.20 ? 387 GLU B CG 1 ? ? +7427 ATOM C CD . GLU B 2 386 ? 12.307 -29.393 -78.263 1.00 74.78 ? 387 GLU B CD 1 ? ? +7428 ATOM O OE1 . GLU B 2 386 ? 11.523 -30.325 -77.948 1.00 76.26 ? 387 GLU B OE1 1 ? ? +7429 ATOM O OE2 . GLU B 2 386 ? 13.451 -29.586 -78.748 1.00 73.83 ? 387 GLU B OE2 1 ? ? +7430 ATOM C C . GLU B 2 386 ? 8.651 -26.209 -76.620 1.00 63.43 ? 387 GLU B C 1 ? ? +7431 ATOM O O . GLU B 2 386 ? 7.869 -27.152 -76.707 1.00 62.76 ? 387 GLU B O 1 ? ? +7432 ATOM N N . SER B 2 387 ? 8.324 -25.029 -76.094 1.00 61.82 ? 388 SER B N 1 ? ? +7433 ATOM C CA . SER B 2 387 ? 6.994 -24.727 -75.606 1.00 61.07 ? 388 SER B CA 1 ? ? +7434 ATOM C CB . SER B 2 387 ? 7.027 -23.390 -74.867 1.00 61.37 ? 388 SER B CB 1 ? ? +7435 ATOM O OG . SER B 2 387 ? 5.714 -22.919 -74.585 1.00 63.29 ? 388 SER B OG 1 ? ? +7436 ATOM C C . SER B 2 387 ? 5.977 -24.700 -76.750 1.00 60.28 ? 388 SER B C 1 ? ? +7437 ATOM O O . SER B 2 387 ? 6.197 -24.033 -77.754 1.00 60.01 ? 388 SER B O 1 ? ? +7438 ATOM N N . LYS B 2 388 ? 4.865 -25.430 -76.592 1.00 59.62 ? 389 LYS B N 1 ? ? +7439 ATOM C CA . LYS B 2 388 ? 3.756 -25.362 -77.536 1.00 59.61 ? 389 LYS B CA 1 ? ? +7440 ATOM C CB . LYS B 2 388 ? 3.391 -26.746 -78.090 1.00 60.82 ? 389 LYS B CB 1 ? ? +7441 ATOM C CG . LYS B 2 388 ? 4.569 -27.690 -78.142 1.00 61.96 ? 389 LYS B CG 1 ? ? +7442 ATOM C CD . LYS B 2 388 ? 4.523 -28.785 -79.209 1.00 63.33 ? 389 LYS B CD 1 ? ? +7443 ATOM C CE . LYS B 2 388 ? 5.641 -29.812 -78.958 1.00 64.03 ? 389 LYS B CE 1 ? ? +7444 ATOM N NZ . LYS B 2 388 ? 6.988 -29.172 -78.687 1.00 63.72 ? 389 LYS B NZ 1 ? ? +7445 ATOM C C . LYS B 2 388 ? 2.501 -24.754 -76.920 1.00 58.21 ? 389 LYS B C 1 ? ? +7446 ATOM O O . LYS B 2 388 ? 1.603 -24.344 -77.644 1.00 58.81 ? 389 LYS B O 1 ? ? +7447 ATOM N N . TYR B 2 389 ? 2.455 -24.676 -75.589 1.00 56.54 ? 390 TYR B N 1 ? ? +7448 ATOM C CA . TYR B 2 389 ? 1.229 -24.365 -74.876 1.00 55.75 ? 390 TYR B CA 1 ? ? +7449 ATOM C CB . TYR B 2 389 ? 0.908 -25.543 -73.970 1.00 55.40 ? 390 TYR B CB 1 ? ? +7450 ATOM C CG . TYR B 2 389 ? 0.607 -26.813 -74.718 1.00 55.84 ? 390 TYR B CG 1 ? ? +7451 ATOM C CD1 . TYR B 2 389 ? -0.470 -26.889 -75.586 1.00 56.58 ? 390 TYR B CD1 1 ? ? +7452 ATOM C CD2 . TYR B 2 389 ? 1.378 -27.950 -74.538 1.00 55.64 ? 390 TYR B CD2 1 ? ? +7453 ATOM C CE1 . TYR B 2 389 ? -0.772 -28.059 -76.259 1.00 57.10 ? 390 TYR B CE1 1 ? ? +7454 ATOM C CE2 . TYR B 2 389 ? 1.096 -29.125 -75.220 1.00 56.15 ? 390 TYR B CE2 1 ? ? +7455 ATOM C CZ . TYR B 2 389 ? 0.010 -29.174 -76.073 1.00 56.98 ? 390 TYR B CZ 1 ? ? +7456 ATOM O OH . TYR B 2 389 ? -0.327 -30.306 -76.754 1.00 57.92 ? 390 TYR B OH 1 ? ? +7457 ATOM C C . TYR B 2 389 ? 1.274 -23.090 -74.038 1.00 54.89 ? 390 TYR B C 1 ? ? +7458 ATOM O O . TYR B 2 389 ? 0.419 -22.887 -73.183 1.00 54.48 ? 390 TYR B O 1 ? ? +7459 ATOM N N . SER B 2 390 ? 2.278 -22.234 -74.272 1.00 54.39 ? 391 SER B N 1 ? ? +7460 ATOM C CA . SER B 2 390 ? 2.403 -21.002 -73.512 1.00 53.49 ? 391 SER B CA 1 ? ? +7461 ATOM C CB . SER B 2 390 ? 3.620 -20.204 -73.954 1.00 53.27 ? 391 SER B CB 1 ? ? +7462 ATOM O OG . SER B 2 390 ? 3.523 -19.809 -75.306 1.00 53.67 ? 391 SER B OG 1 ? ? +7463 ATOM C C . SER B 2 390 ? 1.137 -20.165 -73.665 1.00 53.51 ? 391 SER B C 1 ? ? +7464 ATOM O O . SER B 2 390 ? 0.426 -20.289 -74.654 1.00 53.83 ? 391 SER B O 1 ? ? +7465 ATOM N N . PHE B 2 391 ? 0.878 -19.304 -72.680 1.00 53.12 ? 392 PHE B N 1 ? ? +7466 ATOM C CA . PHE B 2 391 ? -0.240 -18.378 -72.747 1.00 53.33 ? 392 PHE B CA 1 ? ? +7467 ATOM C CB . PHE B 2 391 ? -0.369 -17.599 -71.440 1.00 52.76 ? 392 PHE B CB 1 ? ? +7468 ATOM C CG . PHE B 2 391 ? -0.901 -18.359 -70.250 1.00 52.25 ? 392 PHE B CG 1 ? ? +7469 ATOM C CD1 . PHE B 2 391 ? -0.830 -19.738 -70.193 1.00 52.13 ? 392 PHE B CD1 1 ? ? +7470 ATOM C CD2 . PHE B 2 391 ? -1.484 -17.691 -69.194 1.00 52.13 ? 392 PHE B CD2 1 ? ? +7471 ATOM C CE1 . PHE B 2 391 ? -1.313 -20.426 -69.090 1.00 51.88 ? 392 PHE B CE1 1 ? ? +7472 ATOM C CE2 . PHE B 2 391 ? -1.969 -18.381 -68.095 1.00 51.86 ? 392 PHE B CE2 1 ? ? +7473 ATOM C CZ . PHE B 2 391 ? -1.878 -19.742 -68.044 1.00 51.74 ? 392 PHE B CZ 1 ? ? +7474 ATOM C C . PHE B 2 391 ? -0.069 -17.399 -73.907 1.00 53.97 ? 392 PHE B C 1 ? ? +7475 ATOM O O . PHE B 2 391 ? -1.059 -16.960 -74.507 1.00 54.09 ? 392 PHE B O 1 ? ? +7476 ATOM N N . GLU B 2 392 ? 1.203 -17.065 -74.205 1.00 53.93 ? 393 GLU B N 1 ? ? +7477 ATOM C CA . GLU B 2 392 ? 1.529 -16.191 -75.320 1.00 54.40 ? 393 GLU B CA 1 ? ? +7478 ATOM C CB . GLU B 2 392 ? 3.013 -15.816 -75.289 1.00 54.32 ? 393 GLU B CB 1 ? ? +7479 ATOM C CG . GLU B 2 392 ? 3.429 -14.934 -74.118 1.00 53.86 ? 393 GLU B CG 1 ? ? +7480 ATOM C CD . GLU B 2 392 ? 3.853 -15.668 -72.867 1.00 53.32 ? 393 GLU B CD 1 ? ? +7481 ATOM O OE1 . GLU B 2 392 ? 3.730 -16.912 -72.836 1.00 53.42 ? 393 GLU B OE1 1 ? ? +7482 ATOM O OE2 . GLU B 2 392 ? 4.298 -15.000 -71.908 1.00 52.96 ? 393 GLU B OE2 1 ? ? +7483 ATOM C C . GLU B 2 392 ? 1.169 -16.818 -76.666 1.00 54.98 ? 393 GLU B C 1 ? ? +7484 ATOM O O . GLU B 2 392 ? 0.630 -16.141 -77.533 1.00 55.84 ? 393 GLU B O 1 ? ? +7485 ATOM N N . GLN B 2 393 ? 1.453 -18.114 -76.835 1.00 54.80 ? 394 GLN B N 1 ? ? +7486 ATOM C CA . GLN B 2 393 ? 1.118 -18.819 -78.061 1.00 55.27 ? 394 GLN B CA 1 ? ? +7487 ATOM C CB . GLN B 2 393 ? 1.819 -20.176 -78.105 1.00 54.90 ? 394 GLN B CB 1 ? ? +7488 ATOM C CG . GLN B 2 393 ? 3.288 -20.051 -78.445 1.00 54.74 ? 394 GLN B CG 1 ? ? +7489 ATOM C CD . GLN B 2 393 ? 4.069 -21.281 -78.084 1.00 54.24 ? 394 GLN B CD 1 ? ? +7490 ATOM O OE1 . GLN B 2 393 ? 4.157 -21.654 -76.910 1.00 53.60 ? 394 GLN B OE1 1 ? ? +7491 ATOM N NE2 . GLN B 2 393 ? 4.665 -21.929 -79.078 1.00 54.52 ? 394 GLN B NE2 1 ? ? +7492 ATOM C C . GLN B 2 393 ? -0.380 -19.048 -78.213 1.00 55.92 ? 394 GLN B C 1 ? ? +7493 ATOM O O . GLN B 2 393 ? -0.884 -19.047 -79.328 1.00 56.57 ? 394 GLN B O 1 ? ? +7494 ATOM N N . GLN B 2 394 ? -1.064 -19.273 -77.085 1.00 55.88 ? 395 GLN B N 1 ? ? +7495 ATOM C CA . GLN B 2 394 ? -2.459 -19.682 -77.074 1.00 56.36 ? 395 GLN B CA 1 ? ? +7496 ATOM C CB . GLN B 2 394 ? -2.679 -20.753 -75.997 1.00 55.94 ? 395 GLN B CB 1 ? ? +7497 ATOM C CG . GLN B 2 394 ? -1.905 -22.036 -76.212 1.00 55.81 ? 395 GLN B CG 1 ? ? +7498 ATOM C CD . GLN B 2 394 ? -2.167 -22.681 -77.539 1.00 56.53 ? 395 GLN B CD 1 ? ? +7499 ATOM O OE1 . GLN B 2 394 ? -3.260 -22.610 -78.111 1.00 57.47 ? 395 GLN B OE1 1 ? ? +7500 ATOM N NE2 . GLN B 2 394 ? -1.169 -23.332 -78.071 1.00 56.59 ? 395 GLN B NE2 1 ? ? +7501 ATOM C C . GLN B 2 394 ? -3.427 -18.532 -76.812 1.00 56.71 ? 395 GLN B C 1 ? ? +7502 ATOM O O . GLN B 2 394 ? -4.631 -18.750 -76.752 1.00 56.94 ? 395 GLN B O 1 ? ? +7503 ATOM N N . GLY B 2 395 ? -2.882 -17.324 -76.628 1.00 56.81 ? 396 GLY B N 1 ? ? +7504 ATOM C CA . GLY B 2 395 ? -3.679 -16.128 -76.421 1.00 57.14 ? 396 GLY B CA 1 ? ? +7505 ATOM C C . GLY B 2 395 ? -4.650 -16.234 -75.249 1.00 56.99 ? 396 GLY B C 1 ? ? +7506 ATOM O O . GLY B 2 395 ? -5.831 -15.931 -75.402 1.00 57.90 ? 396 GLY B O 1 ? ? +7507 ATOM N N . VAL B 2 396 ? -4.140 -16.664 -74.092 1.00 56.30 ? 397 VAL B N 1 ? ? +7508 ATOM C CA . VAL B 2 396 ? -4.971 -16.923 -72.932 1.00 56.12 ? 397 VAL B CA 1 ? ? +7509 ATOM C CB . VAL B 2 396 ? -4.298 -17.854 -71.911 1.00 55.38 ? 397 VAL B CB 1 ? ? +7510 ATOM C CG1 . VAL B 2 396 ? -5.182 -18.090 -70.699 1.00 55.24 ? 397 VAL B CG1 1 ? ? +7511 ATOM C CG2 . VAL B 2 396 ? -3.916 -19.182 -72.548 1.00 55.42 ? 397 VAL B CG2 1 ? ? +7512 ATOM C C . VAL B 2 396 ? -5.346 -15.587 -72.301 1.00 56.43 ? 397 VAL B C 1 ? ? +7513 ATOM O O . VAL B 2 396 ? -4.472 -14.765 -72.038 1.00 56.01 ? 397 VAL B O 1 ? ? +7514 ATOM N N . THR B 2 397 ? -6.660 -15.387 -72.088 1.00 57.02 ? 398 THR B N 1 ? ? +7515 ATOM C CA . THR B 2 397 ? -7.180 -14.237 -71.370 1.00 57.01 ? 398 THR B CA 1 ? ? +7516 ATOM C CB . THR B 2 397 ? -8.107 -13.455 -72.257 1.00 57.85 ? 398 THR B CB 1 ? ? +7517 ATOM O OG1 . THR B 2 397 ? -9.163 -14.310 -72.675 1.00 58.47 ? 398 THR B OG1 1 ? ? +7518 ATOM C CG2 . THR B 2 397 ? -7.406 -12.900 -73.468 1.00 58.26 ? 398 THR B CG2 1 ? ? +7519 ATOM C C . THR B 2 397 ? -7.885 -14.729 -70.114 1.00 56.77 ? 398 THR B C 1 ? ? +7520 ATOM O O . THR B 2 397 ? -8.199 -15.907 -70.010 1.00 56.70 ? 398 THR B O 1 ? ? +7521 ATOM N N . VAL B 2 398 ? -8.114 -13.821 -69.161 1.00 57.04 ? 399 VAL B N 1 ? ? +7522 ATOM C CA . VAL B 2 398 ? -8.943 -14.117 -68.004 1.00 57.12 ? 399 VAL B CA 1 ? ? +7523 ATOM C CB . VAL B 2 398 ? -8.087 -14.352 -66.742 1.00 56.34 ? 399 VAL B CB 1 ? ? +7524 ATOM C CG1 . VAL B 2 398 ? -7.320 -13.097 -66.327 1.00 55.97 ? 399 VAL B CG1 1 ? ? +7525 ATOM C CG2 . VAL B 2 398 ? -8.932 -14.892 -65.583 1.00 56.11 ? 399 VAL B CG2 1 ? ? +7526 ATOM C C . VAL B 2 398 ? -9.971 -13.004 -67.808 1.00 58.02 ? 399 VAL B C 1 ? ? +7527 ATOM O O . VAL B 2 398 ? -9.632 -11.832 -67.922 1.00 57.75 ? 399 VAL B O 1 ? ? +7528 ATOM N N . SER B 2 399 ? -11.229 -13.401 -67.555 1.00 59.31 ? 400 SER B N 1 ? ? +7529 ATOM C CA . SER B 2 399 ? -12.300 -12.488 -67.184 1.00 59.98 ? 400 SER B CA 1 ? ? +7530 ATOM C CB . SER B 2 399 ? -13.431 -12.564 -68.195 1.00 61.04 ? 400 SER B CB 1 ? ? +7531 ATOM O OG . SER B 2 399 ? -12.948 -12.310 -69.499 1.00 61.58 ? 400 SER B OG 1 ? ? +7532 ATOM C C . SER B 2 399 ? -12.834 -12.828 -65.795 1.00 60.10 ? 400 SER B C 1 ? ? +7533 ATOM O O . SER B 2 399 ? -12.976 -14.001 -65.467 1.00 60.72 ? 400 SER B O 1 ? ? +7534 ATOM N N . PHE B 2 400 ? -13.140 -11.806 -64.987 1.00 60.00 ? 401 PHE B N 1 ? ? +7535 ATOM C CA . PHE B 2 400 ? -13.710 -12.016 -63.666 1.00 59.85 ? 401 PHE B CA 1 ? ? +7536 ATOM C CB . PHE B 2 400 ? -13.001 -11.129 -62.665 1.00 59.28 ? 401 PHE B CB 1 ? ? +7537 ATOM C CG . PHE B 2 400 ? -11.629 -11.634 -62.299 1.00 58.23 ? 401 PHE B CG 1 ? ? +7538 ATOM C CD1 . PHE B 2 400 ? -10.543 -11.403 -63.121 1.00 58.13 ? 401 PHE B CD1 1 ? ? +7539 ATOM C CD2 . PHE B 2 400 ? -11.431 -12.352 -61.139 1.00 57.52 ? 401 PHE B CD2 1 ? ? +7540 ATOM C CE1 . PHE B 2 400 ? -9.279 -11.876 -62.773 1.00 57.65 ? 401 PHE B CE1 1 ? ? +7541 ATOM C CE2 . PHE B 2 400 ? -10.172 -12.811 -60.793 1.00 56.98 ? 401 PHE B CE2 1 ? ? +7542 ATOM C CZ . PHE B 2 400 ? -9.111 -12.580 -61.615 1.00 56.90 ? 401 PHE B CZ 1 ? ? +7543 ATOM C C . PHE B 2 400 ? -15.212 -11.745 -63.630 1.00 61.06 ? 401 PHE B C 1 ? ? +7544 ATOM O O . PHE B 2 400 ? -15.660 -10.731 -64.157 1.00 61.29 ? 401 PHE B O 1 ? ? +7545 ATOM N N . TYR B 2 401 ? -15.965 -12.669 -63.010 1.00 62.09 ? 402 TYR B N 1 ? ? +7546 ATOM C CA . TYR B 2 401 ? -17.384 -12.496 -62.739 1.00 63.20 ? 402 TYR B CA 1 ? ? +7547 ATOM C CB . TYR B 2 401 ? -18.229 -13.527 -63.485 1.00 64.88 ? 402 TYR B CB 1 ? ? +7548 ATOM C CG . TYR B 2 401 ? -17.931 -13.543 -64.960 1.00 66.77 ? 402 TYR B CG 1 ? ? +7549 ATOM C CD1 . TYR B 2 401 ? -18.535 -12.637 -65.823 1.00 68.16 ? 402 TYR B CD1 1 ? ? +7550 ATOM C CD2 . TYR B 2 401 ? -16.993 -14.423 -65.488 1.00 67.72 ? 402 TYR B CD2 1 ? ? +7551 ATOM C CE1 . TYR B 2 401 ? -18.242 -12.632 -67.187 1.00 69.27 ? 402 TYR B CE1 1 ? ? +7552 ATOM C CE2 . TYR B 2 401 ? -16.688 -14.428 -66.847 1.00 68.67 ? 402 TYR B CE2 1 ? ? +7553 ATOM C CZ . TYR B 2 401 ? -17.306 -13.525 -67.695 1.00 69.48 ? 402 TYR B CZ 1 ? ? +7554 ATOM O OH . TYR B 2 401 ? -16.980 -13.548 -69.032 1.00 69.72 ? 402 TYR B OH 1 ? ? +7555 ATOM C C . TYR B 2 401 ? -17.616 -12.600 -61.235 1.00 62.42 ? 402 TYR B C 1 ? ? +7556 ATOM O O . TYR B 2 401 ? -17.134 -13.524 -60.587 1.00 61.02 ? 402 TYR B O 1 ? ? +7557 ATOM N N . GLY B 2 402 ? -18.382 -11.646 -60.696 1.00 62.78 ? 403 GLY B N 1 ? ? +7558 ATOM C CA . GLY B 2 402 ? -18.597 -11.536 -59.263 1.00 61.95 ? 403 GLY B CA 1 ? ? +7559 ATOM C C . GLY B 2 402 ? -17.387 -10.892 -58.599 1.00 60.69 ? 403 GLY B C 1 ? ? +7560 ATOM O O . GLY B 2 402 ? -16.398 -10.607 -59.256 1.00 60.21 ? 403 GLY B O 1 ? ? +7561 ATOM N N . GLY B 2 403 ? -17.497 -10.636 -57.296 1.00 60.07 ? 404 GLY B N 1 ? ? +7562 ATOM C CA . GLY B 2 403 ? -16.402 -10.092 -56.523 1.00 59.23 ? 404 GLY B CA 1 ? ? +7563 ATOM C C . GLY B 2 403 ? -15.953 -8.724 -57.020 1.00 59.30 ? 404 GLY B C 1 ? ? +7564 ATOM O O . GLY B 2 403 ? -16.632 -8.074 -57.804 1.00 59.29 ? 404 GLY B O 1 ? ? +7565 ATOM N N . GLU B 2 404 ? -14.758 -8.326 -56.584 1.00 59.40 ? 405 GLU B N 1 ? ? +7566 ATOM C CA . GLU B 2 404 ? -14.321 -6.956 -56.754 1.00 59.68 ? 405 GLU B CA 1 ? ? +7567 ATOM C CB . GLU B 2 404 ? -13.298 -6.598 -55.678 1.00 60.56 ? 405 GLU B CB 1 ? ? +7568 ATOM C CG . GLU B 2 404 ? -11.846 -6.728 -56.039 1.00 61.87 ? 405 GLU B CG 1 ? ? +7569 ATOM C CD . GLU B 2 404 ? -10.981 -6.314 -54.866 1.00 63.61 ? 405 GLU B CD 1 ? ? +7570 ATOM O OE1 . GLU B 2 404 ? -11.593 -5.930 -53.836 1.00 64.48 ? 405 GLU B OE1 1 ? ? +7571 ATOM O OE2 . GLU B 2 404 ? -9.722 -6.378 -54.955 1.00 64.29 ? 405 GLU B OE2 1 ? ? +7572 ATOM C C . GLU B 2 404 ? -13.833 -6.667 -58.169 1.00 58.74 ? 405 GLU B C 1 ? ? +7573 ATOM O O . GLU B 2 404 ? -13.793 -5.512 -58.556 1.00 59.22 ? 405 GLU B O 1 ? ? +7574 ATOM N N . LEU B 2 405 ? -13.514 -7.696 -58.954 1.00 58.03 ? 406 LEU B N 1 ? ? +7575 ATOM C CA . LEU B 2 405 ? -13.090 -7.493 -60.329 1.00 57.99 ? 406 LEU B CA 1 ? ? +7576 ATOM C CB . LEU B 2 405 ? -11.870 -8.372 -60.648 1.00 57.49 ? 406 LEU B CB 1 ? ? +7577 ATOM C CG . LEU B 2 405 ? -10.607 -8.089 -59.833 1.00 56.68 ? 406 LEU B CG 1 ? ? +7578 ATOM C CD1 . LEU B 2 405 ? -9.428 -8.891 -60.397 1.00 56.42 ? 406 LEU B CD1 1 ? ? +7579 ATOM C CD2 . LEU B 2 405 ? -10.316 -6.601 -59.775 1.00 56.62 ? 406 LEU B CD2 1 ? ? +7580 ATOM C C . LEU B 2 405 ? -14.198 -7.778 -61.334 1.00 58.60 ? 406 LEU B C 1 ? ? +7581 ATOM O O . LEU B 2 405 ? -13.948 -7.827 -62.535 1.00 58.53 ? 406 LEU B O 1 ? ? +7582 ATOM N N . ASN B 2 406 ? -15.431 -7.921 -60.840 1.00 59.55 ? 407 ASN B N 1 ? ? +7583 ATOM C CA . ASN B 2 406 ? -16.563 -8.259 -61.691 1.00 60.19 ? 407 ASN B CA 1 ? ? +7584 ATOM C CB . ASN B 2 406 ? -17.850 -8.054 -60.933 1.00 60.14 ? 407 ASN B CB 1 ? ? +7585 ATOM C CG . ASN B 2 406 ? -19.064 -8.220 -61.793 1.00 60.98 ? 407 ASN B CG 1 ? ? +7586 ATOM O OD1 . ASN B 2 406 ? -19.372 -9.298 -62.325 1.00 60.72 ? 407 ASN B OD1 1 ? ? +7587 ATOM N ND2 . ASN B 2 406 ? -19.780 -7.143 -61.946 1.00 61.72 ? 407 ASN B ND2 1 ? ? +7588 ATOM C C . ASN B 2 406 ? -16.567 -7.419 -62.963 1.00 61.22 ? 407 ASN B C 1 ? ? +7589 ATOM O O . ASN B 2 406 ? -16.510 -6.200 -62.889 1.00 61.90 ? 407 ASN B O 1 ? ? +7590 ATOM N N . GLY B 2 407 ? -16.595 -8.074 -64.127 1.00 62.14 ? 408 GLY B N 1 ? ? +7591 ATOM C CA . GLY B 2 407 ? -16.736 -7.377 -65.396 1.00 63.31 ? 408 GLY B CA 1 ? ? +7592 ATOM C C . GLY B 2 407 ? -15.428 -7.079 -66.123 1.00 63.82 ? 408 GLY B C 1 ? ? +7593 ATOM O O . GLY B 2 407 ? -15.433 -6.731 -67.297 1.00 64.91 ? 408 GLY B O 1 ? ? +7594 ATOM N N . GLN B 2 408 ? -14.299 -7.229 -65.432 1.00 63.93 ? 409 GLN B N 1 ? ? +7595 ATOM C CA . GLN B 2 408 ? -13.013 -6.908 -66.023 1.00 64.22 ? 409 GLN B CA 1 ? ? +7596 ATOM C CB . GLN B 2 408 ? -12.080 -6.374 -64.955 1.00 64.41 ? 409 GLN B CB 1 ? ? +7597 ATOM C CG . GLN B 2 408 ? -12.553 -5.046 -64.407 1.00 65.68 ? 409 GLN B CG 1 ? ? +7598 ATOM C CD . GLN B 2 408 ? -11.595 -4.521 -63.397 1.00 66.88 ? 409 GLN B CD 1 ? ? +7599 ATOM O OE1 . GLN B 2 408 ? -10.395 -4.388 -63.659 1.00 68.96 ? 409 GLN B OE1 1 ? ? +7600 ATOM N NE2 . GLN B 2 408 ? -12.077 -4.227 -62.200 1.00 67.60 ? 409 GLN B NE2 1 ? ? +7601 ATOM C C . GLN B 2 408 ? -12.395 -8.110 -66.735 1.00 63.88 ? 409 GLN B C 1 ? ? +7602 ATOM O O . GLN B 2 408 ? -12.531 -9.245 -66.288 1.00 62.92 ? 409 GLN B O 1 ? ? +7603 ATOM N N . THR B 2 409 ? -11.741 -7.831 -67.868 1.00 64.33 ? 410 THR B N 1 ? ? +7604 ATOM C CA . THR B 2 409 ? -10.976 -8.813 -68.613 1.00 64.30 ? 410 THR B CA 1 ? ? +7605 ATOM C CB . THR B 2 409 ? -11.570 -9.028 -69.983 1.00 65.62 ? 410 THR B CB 1 ? ? +7606 ATOM O OG1 . THR B 2 409 ? -12.858 -9.615 -69.832 1.00 66.64 ? 410 THR B OG1 1 ? ? +7607 ATOM C CG2 . THR B 2 409 ? -10.711 -9.932 -70.850 1.00 66.01 ? 410 THR B CG2 1 ? ? +7608 ATOM C C . THR B 2 409 ? -9.531 -8.337 -68.708 1.00 64.04 ? 410 THR B C 1 ? ? +7609 ATOM O O . THR B 2 409 ? -9.284 -7.163 -68.956 1.00 64.41 ? 410 THR B O 1 ? ? +7610 ATOM N N . PHE B 2 410 ? -8.587 -9.258 -68.495 1.00 64.03 ? 411 PHE B N 1 ? ? +7611 ATOM C CA . PHE B 2 410 ? -7.163 -8.973 -68.622 1.00 63.60 ? 411 PHE B CA 1 ? ? +7612 ATOM C CB . PHE B 2 410 ? -6.443 -9.277 -67.320 1.00 63.74 ? 411 PHE B CB 1 ? ? +7613 ATOM C CG . PHE B 2 410 ? -6.949 -8.452 -66.167 1.00 65.35 ? 411 PHE B CG 1 ? ? +7614 ATOM C CD1 . PHE B 2 410 ? -6.522 -7.150 -65.987 1.00 66.76 ? 411 PHE B CD1 1 ? ? +7615 ATOM C CD2 . PHE B 2 410 ? -7.892 -8.962 -65.287 1.00 66.19 ? 411 PHE B CD2 1 ? ? +7616 ATOM C CE1 . PHE B 2 410 ? -7.014 -6.379 -64.938 1.00 67.08 ? 411 PHE B CE1 1 ? ? +7617 ATOM C CE2 . PHE B 2 410 ? -8.378 -8.188 -64.240 1.00 66.65 ? 411 PHE B CE2 1 ? ? +7618 ATOM C CZ . PHE B 2 410 ? -7.937 -6.903 -64.073 1.00 66.84 ? 411 PHE B CZ 1 ? ? +7619 ATOM C C . PHE B 2 410 ? -6.592 -9.809 -69.759 1.00 62.77 ? 411 PHE B C 1 ? ? +7620 ATOM O O . PHE B 2 410 ? -6.875 -11.000 -69.852 1.00 62.16 ? 411 PHE B O 1 ? ? +7621 ATOM N N . THR B 2 411 ? -5.806 -9.163 -70.626 1.00 62.93 ? 412 THR B N 1 ? ? +7622 ATOM C CA . THR B 2 411 ? -5.266 -9.809 -71.813 1.00 63.28 ? 412 THR B CA 1 ? ? +7623 ATOM C CB . THR B 2 411 ? -5.712 -9.077 -73.064 1.00 63.88 ? 412 THR B CB 1 ? ? +7624 ATOM O OG1 . THR B 2 411 ? -5.268 -7.734 -72.961 1.00 64.43 ? 412 THR B OG1 1 ? ? +7625 ATOM C CG2 . THR B 2 411 ? -7.184 -9.110 -73.249 1.00 64.60 ? 412 THR B CG2 1 ? ? +7626 ATOM C C . THR B 2 411 ? -3.744 -9.913 -71.863 1.00 62.73 ? 412 THR B C 1 ? ? +7627 ATOM O O . THR B 2 411 ? -3.224 -10.708 -72.637 1.00 62.25 ? 412 THR B O 1 ? ? +7628 ATOM N N . ASP B 2 412 ? -3.039 -9.108 -71.062 1.00 63.10 ? 413 ASP B N 1 ? ? +7629 ATOM C CA . ASP B 2 412 ? -1.587 -9.115 -71.114 1.00 63.80 ? 413 ASP B CA 1 ? ? +7630 ATOM C CB . ASP B 2 412 ? -0.982 -7.815 -70.571 1.00 64.71 ? 413 ASP B CB 1 ? ? +7631 ATOM C CG . ASP B 2 412 ? -1.130 -7.632 -69.103 1.00 65.69 ? 413 ASP B CG 1 ? ? +7632 ATOM O OD1 . ASP B 2 412 ? -2.292 -7.509 -68.637 1.00 67.24 ? 413 ASP B OD1 1 ? ? +7633 ATOM O OD2 . ASP B 2 412 ? -0.077 -7.620 -68.397 1.00 66.93 ? 413 ASP B OD2 1 ? ? +7634 ATOM C C . ASP B 2 412 ? -1.051 -10.344 -70.381 1.00 62.61 ? 413 ASP B C 1 ? ? +7635 ATOM O O . ASP B 2 412 ? -1.413 -10.594 -69.234 1.00 61.10 ? 413 ASP B O 1 ? ? +7636 ATOM N N . PRO B 2 413 ? -0.176 -11.152 -71.028 1.00 62.31 ? 414 PRO B N 1 ? ? +7637 ATOM C CA . PRO B 2 413 ? 0.244 -12.442 -70.471 1.00 61.62 ? 414 PRO B CA 1 ? ? +7638 ATOM C CB . PRO B 2 413 ? 1.300 -12.901 -71.474 1.00 61.77 ? 414 PRO B CB 1 ? ? +7639 ATOM C CG . PRO B 2 413 ? 0.921 -12.214 -72.771 1.00 62.33 ? 414 PRO B CG 1 ? ? +7640 ATOM C CD . PRO B 2 413 ? 0.423 -10.879 -72.346 1.00 62.42 ? 414 PRO B CD 1 ? ? +7641 ATOM C C . PRO B 2 413 ? 0.778 -12.445 -69.036 1.00 60.52 ? 414 PRO B C 1 ? ? +7642 ATOM O O . PRO B 2 413 ? 0.456 -13.340 -68.254 1.00 59.96 ? 414 PRO B O 1 ? ? +7643 ATOM N N . PRO B 2 414 ? 1.614 -11.474 -68.613 1.00 59.99 ? 415 PRO B N 1 ? ? +7644 ATOM C CA . PRO B 2 414 ? 2.062 -11.443 -67.220 1.00 59.28 ? 415 PRO B CA 1 ? ? +7645 ATOM C CB . PRO B 2 414 ? 2.935 -10.177 -67.156 1.00 59.27 ? 415 PRO B CB 1 ? ? +7646 ATOM C CG . PRO B 2 414 ? 3.389 -9.964 -68.568 1.00 59.85 ? 415 PRO B CG 1 ? ? +7647 ATOM C CD . PRO B 2 414 ? 2.206 -10.396 -69.423 1.00 60.40 ? 415 PRO B CD 1 ? ? +7648 ATOM C C . PRO B 2 414 ? 0.903 -11.431 -66.223 1.00 58.41 ? 415 PRO B C 1 ? ? +7649 ATOM O O . PRO B 2 414 ? 0.905 -12.190 -65.268 1.00 57.84 ? 415 PRO B O 1 ? ? +7650 ATOM N N . THR B 2 415 ? -0.096 -10.578 -66.447 1.00 58.96 ? 416 THR B N 1 ? ? +7651 ATOM C CA . THR B 2 415 ? -1.231 -10.493 -65.536 1.00 59.13 ? 416 THR B CA 1 ? ? +7652 ATOM C CB . THR B 2 415 ? -2.083 -9.260 -65.862 1.00 59.68 ? 416 THR B CB 1 ? ? +7653 ATOM O OG1 . THR B 2 415 ? -1.199 -8.168 -66.097 1.00 59.95 ? 416 THR B OG1 1 ? ? +7654 ATOM C CG2 . THR B 2 415 ? -3.034 -8.901 -64.744 1.00 59.50 ? 416 THR B CG2 1 ? ? +7655 ATOM C C . THR B 2 415 ? -2.079 -11.769 -65.548 1.00 58.63 ? 416 THR B C 1 ? ? +7656 ATOM O O . THR B 2 415 ? -2.483 -12.261 -64.496 1.00 58.65 ? 416 THR B O 1 ? ? +7657 ATOM N N . VAL B 2 416 ? -2.326 -12.312 -66.743 1.00 58.22 ? 417 VAL B N 1 ? ? +7658 ATOM C CA . VAL B 2 416 ? -3.085 -13.541 -66.879 1.00 57.87 ? 417 VAL B CA 1 ? ? +7659 ATOM C CB . VAL B 2 416 ? -3.303 -13.886 -68.362 1.00 58.53 ? 417 VAL B CB 1 ? ? +7660 ATOM C CG1 . VAL B 2 416 ? -4.095 -15.183 -68.515 1.00 58.80 ? 417 VAL B CG1 1 ? ? +7661 ATOM C CG2 . VAL B 2 416 ? -3.992 -12.746 -69.100 1.00 59.15 ? 417 VAL B CG2 1 ? ? +7662 ATOM C C . VAL B 2 416 ? -2.402 -14.691 -66.139 1.00 56.98 ? 417 VAL B C 1 ? ? +7663 ATOM O O . VAL B 2 416 ? -3.040 -15.451 -65.415 1.00 56.59 ? 417 VAL B O 1 ? ? +7664 ATOM N N . LYS B 2 417 ? -1.088 -14.817 -66.332 1.00 56.67 ? 418 LYS B N 1 ? ? +7665 ATOM C CA . LYS B 2 417 ? -0.306 -15.833 -65.650 1.00 55.66 ? 418 LYS B CA 1 ? ? +7666 ATOM C CB . LYS B 2 417 ? 1.140 -15.795 -66.159 1.00 55.97 ? 418 LYS B CB 1 ? ? +7667 ATOM C CG . LYS B 2 417 ? 1.276 -16.366 -67.581 1.00 56.54 ? 418 LYS B CG 1 ? ? +7668 ATOM C CD . LYS B 2 417 ? 2.692 -16.645 -68.014 1.00 56.44 ? 418 LYS B CD 1 ? ? +7669 ATOM C CE . LYS B 2 417 ? 3.359 -15.473 -68.680 1.00 57.06 ? 418 LYS B CE 1 ? ? +7670 ATOM N NZ . LYS B 2 417 ? 4.575 -15.900 -69.448 1.00 57.53 ? 418 LYS B NZ 1 ? ? +7671 ATOM C C . LYS B 2 417 ? -0.354 -15.675 -64.132 1.00 54.58 ? 418 LYS B C 1 ? ? +7672 ATOM O O . LYS B 2 417 ? -0.360 -16.666 -63.401 1.00 53.96 ? 418 LYS B O 1 ? ? +7673 ATOM N N . SER B 2 418 ? -0.378 -14.421 -63.675 1.00 54.16 ? 419 SER B N 1 ? ? +7674 ATOM C CA . SER B 2 418 ? -0.511 -14.115 -62.260 1.00 53.72 ? 419 SER B CA 1 ? ? +7675 ATOM C CB . SER B 2 418 ? -0.531 -12.605 -62.035 1.00 54.66 ? 419 SER B CB 1 ? ? +7676 ATOM O OG . SER B 2 418 ? 0.708 -12.127 -61.550 1.00 55.29 ? 419 SER B OG 1 ? ? +7677 ATOM C C . SER B 2 418 ? -1.769 -14.724 -61.650 1.00 53.06 ? 419 SER B C 1 ? ? +7678 ATOM O O . SER B 2 418 ? -1.694 -15.406 -60.630 1.00 52.58 ? 419 SER B O 1 ? ? +7679 ATOM N N . TYR B 2 419 ? -2.925 -14.468 -62.282 1.00 52.67 ? 420 TYR B N 1 ? ? +7680 ATOM C CA . TYR B 2 419 ? -4.182 -14.974 -61.768 1.00 52.11 ? 420 TYR B CA 1 ? ? +7681 ATOM C CB . TYR B 2 419 ? -5.387 -14.262 -62.436 1.00 52.62 ? 420 TYR B CB 1 ? ? +7682 ATOM C CG . TYR B 2 419 ? -5.565 -12.853 -61.920 1.00 52.48 ? 420 TYR B CG 1 ? ? +7683 ATOM C CD1 . TYR B 2 419 ? -5.757 -12.606 -60.567 1.00 52.16 ? 420 TYR B CD1 1 ? ? +7684 ATOM C CD2 . TYR B 2 419 ? -5.496 -11.764 -62.772 1.00 52.86 ? 420 TYR B CD2 1 ? ? +7685 ATOM C CE1 . TYR B 2 419 ? -5.881 -11.313 -60.078 1.00 52.15 ? 420 TYR B CE1 1 ? ? +7686 ATOM C CE2 . TYR B 2 419 ? -5.630 -10.464 -62.295 1.00 52.93 ? 420 TYR B CE2 1 ? ? +7687 ATOM C CZ . TYR B 2 419 ? -5.818 -10.247 -60.944 1.00 52.60 ? 420 TYR B CZ 1 ? ? +7688 ATOM O OH . TYR B 2 419 ? -5.966 -8.983 -60.443 1.00 52.99 ? 420 TYR B OH 1 ? ? +7689 ATOM C C . TYR B 2 419 ? -4.257 -16.491 -61.907 1.00 51.65 ? 420 TYR B C 1 ? ? +7690 ATOM O O . TYR B 2 419 ? -4.806 -17.155 -61.033 1.00 51.23 ? 420 TYR B O 1 ? ? +7691 ATOM N N . ALA B 2 420 ? -3.687 -17.044 -62.984 1.00 51.62 ? 421 ALA B N 1 ? ? +7692 ATOM C CA . ALA B 2 420 ? -3.724 -18.484 -63.169 1.00 51.72 ? 421 ALA B CA 1 ? ? +7693 ATOM C CB . ALA B 2 420 ? -3.228 -18.867 -64.546 1.00 51.92 ? 421 ALA B CB 1 ? ? +7694 ATOM C C . ALA B 2 420 ? -2.934 -19.199 -62.070 1.00 51.74 ? 421 ALA B C 1 ? ? +7695 ATOM O O . ALA B 2 420 ? -3.370 -20.247 -61.596 1.00 51.73 ? 421 ALA B O 1 ? ? +7696 ATOM N N . ARG B 2 421 ? -1.796 -18.621 -61.640 1.00 51.71 ? 422 ARG B N 1 ? ? +7697 ATOM C CA . ARG B 2 421 ? -1.053 -19.146 -60.505 1.00 51.46 ? 422 ARG B CA 1 ? ? +7698 ATOM C CB . ARG B 2 421 ? 0.245 -18.363 -60.236 1.00 51.34 ? 422 ARG B CB 1 ? ? +7699 ATOM C CG . ARG B 2 421 ? 1.347 -18.727 -61.202 1.00 51.59 ? 422 ARG B CG 1 ? ? +7700 ATOM C CD . ARG B 2 421 ? 2.709 -18.246 -60.764 1.00 51.30 ? 422 ARG B CD 1 ? ? +7701 ATOM N NE . ARG B 2 421 ? 2.787 -16.791 -60.741 1.00 51.48 ? 422 ARG B NE 1 ? ? +7702 ATOM C CZ . ARG B 2 421 ? 3.054 -16.022 -61.793 1.00 51.86 ? 422 ARG B CZ 1 ? ? +7703 ATOM N NH1 . ARG B 2 421 ? 3.477 -16.534 -62.941 1.00 52.02 ? 422 ARG B NH1 1 ? ? +7704 ATOM N NH2 . ARG B 2 421 ? 2.941 -14.701 -61.675 1.00 51.98 ? 422 ARG B NH2 1 ? ? +7705 ATOM C C . ARG B 2 421 ? -1.868 -19.141 -59.218 1.00 51.66 ? 422 ARG B C 1 ? ? +7706 ATOM O O . ARG B 2 421 ? -1.732 -20.032 -58.397 1.00 52.07 ? 422 ARG B O 1 ? ? +7707 ATOM N N . LYS B 2 422 ? -2.684 -18.112 -59.008 1.00 52.05 ? 423 LYS B N 1 ? ? +7708 ATOM C CA . LYS B 2 422 ? -3.586 -18.097 -57.863 1.00 51.76 ? 423 LYS B CA 1 ? ? +7709 ATOM C CB . LYS B 2 422 ? -4.126 -16.683 -57.622 1.00 52.31 ? 423 LYS B CB 1 ? ? +7710 ATOM C CG . LYS B 2 422 ? -3.003 -15.680 -57.359 1.00 52.24 ? 423 LYS B CG 1 ? ? +7711 ATOM C CD . LYS B 2 422 ? -2.174 -16.000 -56.153 1.00 52.04 ? 423 LYS B CD 1 ? ? +7712 ATOM C CE . LYS B 2 422 ? -0.708 -15.651 -56.403 1.00 52.40 ? 423 LYS B CE 1 ? ? +7713 ATOM N NZ . LYS B 2 422 ? 0.111 -15.696 -55.184 1.00 52.04 ? 423 LYS B NZ 1 ? ? +7714 ATOM C C . LYS B 2 422 ? -4.753 -19.071 -58.005 1.00 51.18 ? 423 LYS B C 1 ? ? +7715 ATOM O O . LYS B 2 422 ? -5.264 -19.558 -56.999 1.00 51.43 ? 423 LYS B O 1 ? ? +7716 ATOM N N . ALA B 2 423 ? -5.167 -19.358 -59.244 1.00 50.84 ? 424 ALA B N 1 ? ? +7717 ATOM C CA . ALA B 2 423 ? -6.345 -20.185 -59.498 1.00 50.47 ? 424 ALA B CA 1 ? ? +7718 ATOM C CB . ALA B 2 423 ? -6.731 -20.108 -60.961 1.00 50.76 ? 424 ALA B CB 1 ? ? +7719 ATOM C C . ALA B 2 423 ? -6.143 -21.644 -59.093 1.00 50.05 ? 424 ALA B C 1 ? ? +7720 ATOM O O . ALA B 2 423 ? -7.095 -22.354 -58.816 1.00 50.04 ? 424 ALA B O 1 ? ? +7721 ATOM N N . ILE B 2 424 ? -4.884 -22.089 -59.011 1.00 49.57 ? 425 ILE B N 1 ? ? +7722 ATOM C CA . ILE B 2 424 ? -4.590 -23.438 -58.561 1.00 49.04 ? 425 ILE B CA 1 ? ? +7723 ATOM C CB . ILE B 2 424 ? -3.087 -23.820 -58.784 1.00 48.87 ? 425 ILE B CB 1 ? ? +7724 ATOM C CG1 . ILE B 2 424 ? -2.168 -23.129 -57.813 1.00 48.46 ? 425 ILE B CG1 1 ? ? +7725 ATOM C CG2 . ILE B 2 424 ? -2.640 -23.569 -60.220 1.00 49.19 ? 425 ILE B CG2 1 ? ? +7726 ATOM C CD1 . ILE B 2 424 ? -0.658 -23.568 -57.976 1.00 48.30 ? 425 ILE B CD1 1 ? ? +7727 ATOM C C . ILE B 2 424 ? -4.998 -23.624 -57.102 1.00 48.33 ? 425 ILE B C 1 ? ? +7728 ATOM O O . ILE B 2 424 ? -5.209 -24.746 -56.666 1.00 48.17 ? 425 ILE B O 1 ? ? +7729 ATOM N N . PHE B 2 425 ? -5.088 -22.525 -56.348 1.00 47.95 ? 426 PHE B N 1 ? ? +7730 ATOM C CA . PHE B 2 425 ? -5.554 -22.565 -54.970 1.00 47.80 ? 426 PHE B CA 1 ? ? +7731 ATOM C CB . PHE B 2 425 ? -4.959 -21.399 -54.158 1.00 47.45 ? 426 PHE B CB 1 ? ? +7732 ATOM C CG . PHE B 2 425 ? -3.457 -21.241 -54.240 1.00 47.13 ? 426 PHE B CG 1 ? ? +7733 ATOM C CD1 . PHE B 2 425 ? -2.623 -22.346 -54.188 1.00 46.90 ? 426 PHE B CD1 1 ? ? +7734 ATOM C CD2 . PHE B 2 425 ? -2.879 -19.988 -54.326 1.00 47.06 ? 426 PHE B CD2 1 ? ? +7735 ATOM C CE1 . PHE B 2 425 ? -1.239 -22.198 -54.257 1.00 46.69 ? 426 PHE B CE1 1 ? ? +7736 ATOM C CE2 . PHE B 2 425 ? -1.490 -19.849 -54.384 1.00 46.82 ? 426 PHE B CE2 1 ? ? +7737 ATOM C CZ . PHE B 2 425 ? -0.682 -20.956 -54.348 1.00 46.54 ? 426 PHE B CZ 1 ? ? +7738 ATOM C C . PHE B 2 425 ? -7.080 -22.488 -54.848 1.00 48.29 ? 426 PHE B C 1 ? ? +7739 ATOM O O . PHE B 2 425 ? -7.609 -22.490 -53.741 1.00 48.29 ? 426 PHE B O 1 ? ? +7740 ATOM N N . GLY B 2 426 ? -7.783 -22.416 -55.978 1.00 48.73 ? 427 GLY B N 1 ? ? +7741 ATOM C CA . GLY B 2 426 ? -9.226 -22.257 -55.951 1.00 49.45 ? 427 GLY B CA 1 ? ? +7742 ATOM C C . GLY B 2 426 ? -9.641 -20.804 -56.146 1.00 49.71 ? 427 GLY B C 1 ? ? +7743 ATOM O O . GLY B 2 426 ? -9.051 -20.092 -56.954 1.00 49.84 ? 427 GLY B O 1 ? ? +7744 ATOM N N . GLU B 2 427 ? -10.660 -20.370 -55.405 1.00 49.92 ? 428 GLU B N 1 ? ? +7745 ATOM C CA . GLU B 2 427 ? -11.171 -19.019 -55.561 1.00 50.17 ? 428 GLU B CA 1 ? ? +7746 ATOM C CB . GLU B 2 427 ? -12.500 -18.829 -54.820 1.00 50.27 ? 428 GLU B CB 1 ? ? +7747 ATOM C CG . GLU B 2 427 ? -13.650 -19.497 -55.526 1.00 50.80 ? 428 GLU B CG 1 ? ? +7748 ATOM C CD . GLU B 2 427 ? -13.944 -18.925 -56.894 1.00 51.17 ? 428 GLU B CD 1 ? ? +7749 ATOM O OE1 . GLU B 2 427 ? -13.697 -17.713 -57.077 1.00 51.22 ? 428 GLU B OE1 1 ? ? +7750 ATOM O OE2 . GLU B 2 427 ? -14.471 -19.658 -57.760 1.00 51.48 ? 428 GLU B OE2 1 ? ? +7751 ATOM C C . GLU B 2 427 ? -10.129 -18.033 -55.053 1.00 49.84 ? 428 GLU B C 1 ? ? +7752 ATOM O O . GLU B 2 427 ? -9.447 -18.308 -54.075 1.00 49.44 ? 428 GLU B O 1 ? ? +7753 ATOM N N . ILE B 2 428 ? -10.068 -16.875 -55.718 1.00 50.35 ? 429 ILE B N 1 ? ? +7754 ATOM C CA . ILE B 2 428 ? -9.009 -15.905 -55.530 1.00 50.20 ? 429 ILE B CA 1 ? ? +7755 ATOM C CB . ILE B 2 428 ? -8.528 -15.417 -56.904 1.00 50.34 ? 429 ILE B CB 1 ? ? +7756 ATOM C CG1 . ILE B 2 428 ? -8.030 -16.594 -57.770 1.00 50.13 ? 429 ILE B CG1 1 ? ? +7757 ATOM C CG2 . ILE B 2 428 ? -7.452 -14.339 -56.745 1.00 50.13 ? 429 ILE B CG2 1 ? ? +7758 ATOM C CD1 . ILE B 2 428 ? -7.814 -16.257 -59.256 1.00 50.41 ? 429 ILE B CD1 1 ? ? +7759 ATOM C C . ILE B 2 428 ? -9.495 -14.756 -54.658 1.00 50.67 ? 429 ILE B C 1 ? ? +7760 ATOM O O . ILE B 2 428 ? -10.573 -14.212 -54.887 1.00 51.50 ? 429 ILE B O 1 ? ? +7761 ATOM N N . PHE B 2 429 ? -8.668 -14.388 -53.680 1.00 50.67 ? 430 PHE B N 1 ? ? +7762 ATOM C CA . PHE B 2 429 ? -8.994 -13.398 -52.674 1.00 51.25 ? 430 PHE B CA 1 ? ? +7763 ATOM C CB . PHE B 2 429 ? -9.165 -14.094 -51.308 1.00 50.85 ? 430 PHE B CB 1 ? ? +7764 ATOM C CG . PHE B 2 429 ? -10.497 -14.810 -51.237 1.00 51.34 ? 430 PHE B CG 1 ? ? +7765 ATOM C CD1 . PHE B 2 429 ? -10.643 -16.083 -51.751 1.00 51.34 ? 430 PHE B CD1 1 ? ? +7766 ATOM C CD2 . PHE B 2 429 ? -11.622 -14.170 -50.733 1.00 51.41 ? 430 PHE B CD2 1 ? ? +7767 ATOM C CE1 . PHE B 2 429 ? -11.875 -16.711 -51.727 1.00 51.86 ? 430 PHE B CE1 1 ? ? +7768 ATOM C CE2 . PHE B 2 429 ? -12.843 -14.809 -50.702 1.00 51.95 ? 430 PHE B CE2 1 ? ? +7769 ATOM C CZ . PHE B 2 429 ? -12.968 -16.069 -51.205 1.00 52.04 ? 430 PHE B CZ 1 ? ? +7770 ATOM C C . PHE B 2 429 ? -7.934 -12.303 -52.589 1.00 52.34 ? 430 PHE B C 1 ? ? +7771 ATOM O O . PHE B 2 429 ? -6.758 -12.532 -52.902 1.00 52.33 ? 430 PHE B O 1 ? ? +7772 ATOM N N . GLU B 2 430 ? -8.384 -11.112 -52.177 1.00 53.75 ? 431 GLU B N 1 ? ? +7773 ATOM C CA . GLU B 2 430 ? -7.515 -10.018 -51.793 1.00 55.02 ? 431 GLU B CA 1 ? ? +7774 ATOM C CB . GLU B 2 430 ? -8.207 -8.669 -51.988 1.00 58.29 ? 431 GLU B CB 1 ? ? +7775 ATOM C CG . GLU B 2 430 ? -7.365 -7.462 -51.598 1.00 60.89 ? 431 GLU B CG 1 ? ? +7776 ATOM C CD . GLU B 2 430 ? -6.238 -7.137 -52.558 1.00 64.73 ? 431 GLU B CD 1 ? ? +7777 ATOM O OE1 . GLU B 2 430 ? -6.287 -7.611 -53.718 1.00 67.13 ? 431 GLU B OE1 1 ? ? +7778 ATOM O OE2 . GLU B 2 430 ? -5.291 -6.419 -52.149 1.00 70.09 ? 431 GLU B OE2 1 ? ? +7779 ATOM C C . GLU B 2 430 ? -7.172 -10.235 -50.327 1.00 54.02 ? 431 GLU B C 1 ? ? +7780 ATOM O O . GLU B 2 430 ? -8.062 -10.497 -49.524 1.00 53.56 ? 431 GLU B O 1 ? ? +7781 ATOM N N . PHE B 2 431 ? -5.871 -10.140 -50.010 1.00 53.00 ? 432 PHE B N 1 ? ? +7782 ATOM C CA . PHE B 2 431 ? -5.355 -10.331 -48.665 1.00 52.02 ? 432 PHE B CA 1 ? ? +7783 ATOM C CB . PHE B 2 431 ? -4.441 -11.549 -48.606 1.00 51.23 ? 432 PHE B CB 1 ? ? +7784 ATOM C CG . PHE B 2 431 ? -5.099 -12.887 -48.772 1.00 50.68 ? 432 PHE B CG 1 ? ? +7785 ATOM C CD1 . PHE B 2 431 ? -5.587 -13.574 -47.679 1.00 50.53 ? 432 PHE B CD1 1 ? ? +7786 ATOM C CD2 . PHE B 2 431 ? -5.213 -13.466 -50.019 1.00 50.56 ? 432 PHE B CD2 1 ? ? +7787 ATOM C CE1 . PHE B 2 431 ? -6.200 -14.811 -47.834 1.00 50.54 ? 432 PHE B CE1 1 ? ? +7788 ATOM C CE2 . PHE B 2 431 ? -5.797 -14.709 -50.172 1.00 50.70 ? 432 PHE B CE2 1 ? ? +7789 ATOM C CZ . PHE B 2 431 ? -6.302 -15.373 -49.080 1.00 50.69 ? 432 PHE B CZ 1 ? ? +7790 ATOM C C . PHE B 2 431 ? -4.531 -9.132 -48.208 1.00 51.92 ? 432 PHE B C 1 ? ? +7791 ATOM O O . PHE B 2 431 ? -3.764 -8.579 -48.988 1.00 51.93 ? 432 PHE B O 1 ? ? +7792 ATOM N N . ASP B 2 432 ? -4.699 -8.752 -46.939 1.00 51.96 ? 433 ASP B N 1 ? ? +7793 ATOM C CA . ASP B 2 432 ? -3.787 -7.842 -46.279 1.00 52.42 ? 433 ASP B CA 1 ? ? +7794 ATOM C CB . ASP B 2 432 ? -4.512 -7.085 -45.163 1.00 52.67 ? 433 ASP B CB 1 ? ? +7795 ATOM C CG . ASP B 2 432 ? -3.612 -6.350 -44.191 1.00 52.97 ? 433 ASP B CG 1 ? ? +7796 ATOM O OD1 . ASP B 2 432 ? -2.359 -6.299 -44.427 1.00 53.77 ? 433 ASP B OD1 1 ? ? +7797 ATOM O OD2 . ASP B 2 432 ? -4.121 -5.873 -43.190 1.00 53.16 ? 433 ASP B OD2 1 ? ? +7798 ATOM C C . ASP B 2 432 ? -2.618 -8.670 -45.745 1.00 52.36 ? 433 ASP B C 1 ? ? +7799 ATOM O O . ASP B 2 432 ? -2.797 -9.470 -44.833 1.00 52.51 ? 433 ASP B O 1 ? ? +7800 ATOM N N . THR B 2 433 ? -1.433 -8.491 -46.338 1.00 52.72 ? 434 THR B N 1 ? ? +7801 ATOM C CA . THR B 2 433 ? -0.222 -9.136 -45.847 1.00 52.95 ? 434 THR B CA 1 ? ? +7802 ATOM C CB . THR B 2 433 ? 0.660 -9.623 -46.990 1.00 52.33 ? 434 THR B CB 1 ? ? +7803 ATOM O OG1 . THR B 2 433 ? 1.002 -8.524 -47.815 1.00 52.65 ? 434 THR B OG1 1 ? ? +7804 ATOM C CG2 . THR B 2 433 ? 0.000 -10.639 -47.832 1.00 52.47 ? 434 THR B CG2 1 ? ? +7805 ATOM C C . THR B 2 433 ? 0.641 -8.245 -44.960 1.00 53.71 ? 434 THR B C 1 ? ? +7806 ATOM O O . THR B 2 433 ? 1.601 -8.724 -44.371 1.00 53.33 ? 434 THR B O 1 ? ? +7807 ATOM N N A GLU B 2 434 ? 0.277 -6.962 -44.842 0.50 54.12 ? 435 GLU B N 1 ? ? +7808 ATOM N N B GLU B 2 434 ? 0.286 -6.956 -44.855 0.50 55.18 ? 435 GLU B N 1 ? ? +7809 ATOM C CA A GLU B 2 434 ? 1.104 -5.987 -44.146 0.50 53.90 ? 435 GLU B CA 1 ? ? +7810 ATOM C CA B GLU B 2 434 ? 1.108 -5.988 -44.141 0.50 55.76 ? 435 GLU B CA 1 ? ? +7811 ATOM C C A GLU B 2 434 ? 0.851 -5.993 -42.639 0.50 53.31 ? 435 GLU B C 1 ? ? +7812 ATOM C C B GLU B 2 434 ? 0.851 -5.997 -42.636 0.50 54.30 ? 435 GLU B C 1 ? ? +7813 ATOM O O A GLU B 2 434 ? 1.792 -6.075 -41.856 0.50 53.02 ? 435 GLU B O 1 ? ? +7814 ATOM O O B GLU B 2 434 ? 1.792 -6.076 -41.853 0.50 53.92 ? 435 GLU B O 1 ? ? +7815 ATOM C CB A GLU B 2 434 ? 0.856 -4.587 -44.733 0.50 54.59 ? 435 GLU B CB 1 ? ? +7816 ATOM C CB B GLU B 2 434 ? 0.898 -4.563 -44.692 0.50 58.17 ? 435 GLU B CB 1 ? ? +7817 ATOM C CG A GLU B 2 434 ? 2.130 -3.894 -45.166 0.50 55.05 ? 435 GLU B CG 1 ? ? +7818 ATOM C CG B GLU B 2 434 ? 1.873 -3.555 -44.090 0.50 60.47 ? 435 GLU B CG 1 ? ? +7819 ATOM C CD A GLU B 2 434 ? 2.961 -4.722 -46.121 0.50 55.14 ? 435 GLU B CD 1 ? ? +7820 ATOM C CD B GLU B 2 434 ? 1.907 -2.182 -44.737 0.50 62.79 ? 435 GLU B CD 1 ? ? +7821 ATOM O OE1 A GLU B 2 434 ? 2.376 -5.317 -47.055 0.50 55.33 ? 435 GLU B OE1 1 ? ? +7822 ATOM O OE1 B GLU B 2 434 ? 2.460 -2.063 -45.859 0.50 64.27 ? 435 GLU B OE1 1 ? ? +7823 ATOM O OE2 A GLU B 2 434 ? 4.198 -4.776 -45.936 0.50 55.20 ? 435 GLU B OE2 1 ? ? +7824 ATOM O OE2 B GLU B 2 434 ? 1.384 -1.223 -44.118 0.50 64.92 ? 435 GLU B OE2 1 ? ? +7825 ATOM N N . THR B 2 435 ? -0.425 -5.925 -42.238 1.00 53.31 ? 436 THR B N 1 ? ? +7826 ATOM C CA . THR B 2 435 ? -0.782 -5.809 -40.831 1.00 52.18 ? 436 THR B CA 1 ? ? +7827 ATOM C CB . THR B 2 435 ? -2.300 -5.982 -40.638 1.00 51.55 ? 436 THR B CB 1 ? ? +7828 ATOM O OG1 . THR B 2 435 ? -2.941 -4.975 -41.381 1.00 51.61 ? 436 THR B OG1 1 ? ? +7829 ATOM C CG2 . THR B 2 435 ? -2.724 -5.883 -39.198 1.00 50.93 ? 436 THR B CG2 1 ? ? +7830 ATOM C C . THR B 2 435 ? -0.007 -6.758 -39.919 1.00 51.64 ? 436 THR B C 1 ? ? +7831 ATOM O O . THR B 2 435 ? 0.564 -6.315 -38.932 1.00 51.85 ? 436 THR B O 1 ? ? +7832 ATOM N N . LEU B 2 436 ? 0.004 -8.054 -40.243 1.00 51.54 ? 437 LEU B N 1 ? ? +7833 ATOM C CA . LEU B 2 436 ? 0.692 -9.040 -39.426 1.00 51.45 ? 437 LEU B CA 1 ? ? +7834 ATOM C CB . LEU B 2 436 ? -0.126 -10.314 -39.339 1.00 51.76 ? 437 LEU B CB 1 ? ? +7835 ATOM C CG . LEU B 2 436 ? -1.499 -10.164 -38.770 1.00 52.55 ? 437 LEU B CG 1 ? ? +7836 ATOM C CD1 . LEU B 2 436 ? -2.143 -11.489 -38.696 1.00 52.84 ? 437 LEU B CD1 1 ? ? +7837 ATOM C CD2 . LEU B 2 436 ? -1.467 -9.503 -37.386 1.00 52.40 ? 437 LEU B CD2 1 ? ? +7838 ATOM C C . LEU B 2 436 ? 2.058 -9.432 -39.969 1.00 50.93 ? 437 LEU B C 1 ? ? +7839 ATOM O O . LEU B 2 436 ? 2.641 -10.397 -39.498 1.00 50.25 ? 437 LEU B O 1 ? ? +7840 ATOM N N . ASN B 2 437 ? 2.532 -8.688 -40.967 1.00 51.39 ? 438 ASN B N 1 ? ? +7841 ATOM C CA . ASN B 2 437 ? 3.743 -9.028 -41.695 1.00 51.90 ? 438 ASN B CA 1 ? ? +7842 ATOM C CB . ASN B 2 437 ? 4.964 -8.673 -40.861 1.00 53.35 ? 438 ASN B CB 1 ? ? +7843 ATOM C CG . ASN B 2 437 ? 6.214 -8.732 -41.666 1.00 55.71 ? 438 ASN B CG 1 ? ? +7844 ATOM O OD1 . ASN B 2 437 ? 6.236 -8.381 -42.864 1.00 58.74 ? 438 ASN B OD1 1 ? ? +7845 ATOM N ND2 . ASN B 2 437 ? 7.287 -9.204 -41.050 1.00 56.95 ? 438 ASN B ND2 1 ? ? +7846 ATOM C C . ASN B 2 437 ? 3.740 -10.496 -42.105 1.00 50.34 ? 438 ASN B C 1 ? ? +7847 ATOM O O . ASN B 2 437 ? 4.608 -11.262 -41.711 1.00 50.29 ? 438 ASN B O 1 ? ? +7848 ATOM N N . SER B 2 438 ? 2.729 -10.875 -42.887 1.00 49.03 ? 439 SER B N 1 ? ? +7849 ATOM C CA . SER B 2 438 ? 2.487 -12.259 -43.253 1.00 47.78 ? 439 SER B CA 1 ? ? +7850 ATOM C CB . SER B 2 438 ? 1.056 -12.420 -43.800 1.00 47.93 ? 439 SER B CB 1 ? ? +7851 ATOM O OG . SER B 2 438 ? 0.075 -11.893 -42.911 1.00 47.84 ? 439 SER B OG 1 ? ? +7852 ATOM C C . SER B 2 438 ? 3.545 -12.681 -44.267 1.00 46.72 ? 439 SER B C 1 ? ? +7853 ATOM O O . SER B 2 438 ? 3.983 -11.867 -45.069 1.00 46.68 ? 439 SER B O 1 ? ? +7854 ATOM N N . ASP B 2 439 ? 3.936 -13.957 -44.234 1.00 45.90 ? 440 ASP B N 1 ? ? +7855 ATOM C CA . ASP B 2 439 ? 5.068 -14.434 -45.017 1.00 45.40 ? 440 ASP B CA 1 ? ? +7856 ATOM C CB . ASP B 2 439 ? 6.004 -15.297 -44.164 1.00 45.36 ? 440 ASP B CB 1 ? ? +7857 ATOM C CG . ASP B 2 439 ? 5.343 -16.403 -43.388 1.00 45.58 ? 440 ASP B CG 1 ? ? +7858 ATOM O OD1 . ASP B 2 439 ? 4.309 -16.945 -43.869 1.00 45.90 ? 440 ASP B OD1 1 ? ? +7859 ATOM O OD2 . ASP B 2 439 ? 5.863 -16.754 -42.319 1.00 45.86 ? 440 ASP B OD2 1 ? ? +7860 ATOM C C . ASP B 2 439 ? 4.696 -15.224 -46.268 1.00 44.83 ? 440 ASP B C 1 ? ? +7861 ATOM O O . ASP B 2 439 ? 5.569 -15.643 -47.024 1.00 44.86 ? 440 ASP B O 1 ? ? +7862 ATOM N N . GLY B 2 440 ? 3.402 -15.445 -46.486 1.00 44.10 ? 441 GLY B N 1 ? ? +7863 ATOM C CA . GLY B 2 440 ? 2.958 -16.048 -47.728 1.00 43.79 ? 441 GLY B CA 1 ? ? +7864 ATOM C C . GLY B 2 440 ? 2.947 -17.573 -47.742 1.00 43.21 ? 441 GLY B C 1 ? ? +7865 ATOM O O . GLY B 2 440 ? 2.723 -18.183 -48.787 1.00 43.31 ? 441 GLY B O 1 ? ? +7866 ATOM N N . ILE B 2 441 ? 3.154 -18.183 -46.575 1.00 42.57 ? 442 ILE B N 1 ? ? +7867 ATOM C CA . ILE B 2 441 ? 3.261 -19.626 -46.480 1.00 42.26 ? 442 ILE B CA 1 ? ? +7868 ATOM C CB . ILE B 2 441 ? 4.639 -20.025 -45.937 1.00 41.91 ? 442 ILE B CB 1 ? ? +7869 ATOM C CG1 . ILE B 2 441 ? 5.770 -19.368 -46.746 1.00 41.95 ? 442 ILE B CG1 1 ? ? +7870 ATOM C CG2 . ILE B 2 441 ? 4.747 -21.510 -45.945 1.00 41.88 ? 442 ILE B CG2 1 ? ? +7871 ATOM C CD1 . ILE B 2 441 ? 7.221 -19.470 -46.041 1.00 41.75 ? 442 ILE B CD1 1 ? ? +7872 ATOM C C . ILE B 2 441 ? 2.128 -20.191 -45.627 1.00 42.06 ? 442 ILE B C 1 ? ? +7873 ATOM O O . ILE B 2 441 ? 1.880 -19.724 -44.524 1.00 41.86 ? 442 ILE B O 1 ? ? +7874 ATOM N N . PHE B 2 442 ? 1.487 -21.240 -46.138 1.00 42.10 ? 443 PHE B N 1 ? ? +7875 ATOM C CA . PHE B 2 442 ? 0.252 -21.735 -45.552 1.00 42.14 ? 443 PHE B CA 1 ? ? +7876 ATOM C CB . PHE B 2 442 ? -0.418 -22.757 -46.450 1.00 42.33 ? 443 PHE B CB 1 ? ? +7877 ATOM C CG . PHE B 2 442 ? -0.878 -22.205 -47.766 1.00 42.57 ? 443 PHE B CG 1 ? ? +7878 ATOM C CD1 . PHE B 2 442 ? -1.754 -21.132 -47.819 1.00 42.74 ? 443 PHE B CD1 1 ? ? +7879 ATOM C CD2 . PHE B 2 442 ? -0.460 -22.773 -48.955 1.00 42.64 ? 443 PHE B CD2 1 ? ? +7880 ATOM C CE1 . PHE B 2 442 ? -2.182 -20.627 -49.043 1.00 43.02 ? 443 PHE B CE1 1 ? ? +7881 ATOM C CE2 . PHE B 2 442 ? -0.891 -22.267 -50.170 1.00 42.95 ? 443 PHE B CE2 1 ? ? +7882 ATOM C CZ . PHE B 2 442 ? -1.761 -21.197 -50.208 1.00 43.14 ? 443 PHE B CZ 1 ? ? +7883 ATOM C C . PHE B 2 442 ? 0.486 -22.354 -44.180 1.00 41.88 ? 443 PHE B C 1 ? ? +7884 ATOM O O . PHE B 2 442 ? 1.510 -23.004 -43.927 1.00 41.82 ? 443 PHE B O 1 ? ? +7885 ATOM N N . ARG B 2 443 ? -0.475 -22.083 -43.300 1.00 41.82 ? 444 ARG B N 1 ? ? +7886 ATOM C CA . ARG B 2 443 ? -0.529 -22.631 -41.966 1.00 41.60 ? 444 ARG B CA 1 ? ? +7887 ATOM C CB . ARG B 2 443 ? -0.464 -21.483 -40.975 1.00 41.54 ? 444 ARG B CB 1 ? ? +7888 ATOM C CG . ARG B 2 443 ? 0.960 -20.933 -40.880 1.00 41.35 ? 444 ARG B CG 1 ? ? +7889 ATOM C CD . ARG B 2 443 ? 1.017 -19.557 -40.300 1.00 41.33 ? 444 ARG B CD 1 ? ? +7890 ATOM N NE . ARG B 2 443 ? 2.387 -19.141 -40.002 1.00 41.13 ? 444 ARG B NE 1 ? ? +7891 ATOM C CZ . ARG B 2 443 ? 3.288 -18.733 -40.890 1.00 41.12 ? 444 ARG B CZ 1 ? ? +7892 ATOM N NH1 . ARG B 2 443 ? 3.080 -18.826 -42.190 1.00 41.26 ? 444 ARG B NH1 1 ? ? +7893 ATOM N NH2 . ARG B 2 443 ? 4.435 -18.210 -40.453 1.00 41.01 ? 444 ARG B NH2 1 ? ? +7894 ATOM C C . ARG B 2 443 ? -1.802 -23.451 -41.836 1.00 41.74 ? 444 ARG B C 1 ? ? +7895 ATOM O O . ARG B 2 443 ? -2.763 -23.260 -42.595 1.00 42.10 ? 444 ARG B O 1 ? ? +7896 ATOM N N . THR B 2 444 ? -1.787 -24.361 -40.863 1.00 41.53 ? 445 THR B N 1 ? ? +7897 ATOM C CA . THR B 2 444 ? -2.932 -25.194 -40.577 1.00 41.68 ? 445 THR B CA 1 ? ? +7898 ATOM C CB . THR B 2 444 ? -2.537 -26.542 -40.003 1.00 41.62 ? 445 THR B CB 1 ? ? +7899 ATOM O OG1 . THR B 2 444 ? -3.686 -27.409 -40.114 1.00 41.99 ? 445 THR B OG1 1 ? ? +7900 ATOM C CG2 . THR B 2 444 ? -2.089 -26.463 -38.572 1.00 41.41 ? 445 THR B CG2 1 ? ? +7901 ATOM C C . THR B 2 444 ? -3.865 -24.435 -39.638 1.00 41.69 ? 445 THR B C 1 ? ? +7902 ATOM O O . THR B 2 444 ? -3.473 -23.447 -39.009 1.00 41.40 ? 445 THR B O 1 ? ? +7903 ATOM N N . SER B 2 445 ? -5.098 -24.951 -39.546 1.00 41.92 ? 446 SER B N 1 ? ? +7904 ATOM C CA . SER B 2 445 ? -6.133 -24.364 -38.720 1.00 42.04 ? 446 SER B CA 1 ? ? +7905 ATOM C CB . SER B 2 445 ? -7.485 -24.581 -39.380 1.00 42.46 ? 446 SER B CB 1 ? ? +7906 ATOM O OG . SER B 2 445 ? -7.765 -25.968 -39.446 1.00 42.63 ? 446 SER B OG 1 ? ? +7907 ATOM C C . SER B 2 445 ? -6.126 -25.021 -37.346 1.00 41.99 ? 446 SER B C 1 ? ? +7908 ATOM O O . SER B 2 445 ? -5.423 -26.007 -37.120 1.00 41.82 ? 446 SER B O 1 ? ? +7909 ATOM N N . PRO B 2 446 ? -6.968 -24.544 -36.400 1.00 42.15 ? 447 PRO B N 1 ? ? +7910 ATOM C CA . PRO B 2 446 ? -7.244 -25.291 -35.171 1.00 42.21 ? 447 PRO B CA 1 ? ? +7911 ATOM C CB . PRO B 2 446 ? -8.347 -24.434 -34.541 1.00 42.47 ? 447 PRO B CB 1 ? ? +7912 ATOM C CG . PRO B 2 446 ? -7.969 -23.038 -34.981 1.00 42.28 ? 447 PRO B CG 1 ? ? +7913 ATOM C CD . PRO B 2 446 ? -7.667 -23.247 -36.420 1.00 42.27 ? 447 PRO B CD 1 ? ? +7914 ATOM C C . PRO B 2 446 ? -7.661 -26.753 -35.357 1.00 42.39 ? 447 PRO B C 1 ? ? +7915 ATOM O O . PRO B 2 446 ? -7.310 -27.613 -34.542 1.00 42.41 ? 447 PRO B O 1 ? ? +7916 ATOM N N . ARG B 2 447 ? -8.360 -27.057 -36.451 1.00 42.55 ? 448 ARG B N 1 ? ? +7917 ATOM C CA . ARG B 2 447 ? -8.743 -28.434 -36.722 1.00 42.74 ? 448 ARG B CA 1 ? ? +7918 ATOM C CB . ARG B 2 447 ? -9.620 -28.533 -37.977 1.00 43.07 ? 448 ARG B CB 1 ? ? +7919 ATOM C CG . ARG B 2 447 ? -10.264 -29.893 -38.168 1.00 43.43 ? 448 ARG B CG 1 ? ? +7920 ATOM C CD . ARG B 2 447 ? -11.065 -29.910 -39.430 1.00 43.77 ? 448 ARG B CD 1 ? ? +7921 ATOM N NE . ARG B 2 447 ? -12.267 -29.081 -39.335 1.00 44.11 ? 448 ARG B NE 1 ? ? +7922 ATOM C CZ . ARG B 2 447 ? -13.418 -29.438 -38.776 1.00 44.52 ? 448 ARG B CZ 1 ? ? +7923 ATOM N NH1 . ARG B 2 447 ? -13.545 -30.564 -38.094 1.00 44.65 ? 448 ARG B NH1 1 ? ? +7924 ATOM N NH2 . ARG B 2 447 ? -14.466 -28.632 -38.903 1.00 44.84 ? 448 ARG B NH2 1 ? ? +7925 ATOM C C . ARG B 2 447 ? -7.489 -29.290 -36.887 1.00 42.37 ? 448 ARG B C 1 ? ? +7926 ATOM O O . ARG B 2 447 ? -7.406 -30.398 -36.357 1.00 42.42 ? 448 ARG B O 1 ? ? +7927 ATOM N N . GLY B 2 448 ? -6.531 -28.756 -37.646 1.00 42.01 ? 449 GLY B N 1 ? ? +7928 ATOM C CA . GLY B 2 448 ? -5.212 -29.361 -37.813 1.00 41.68 ? 449 GLY B CA 1 ? ? +7929 ATOM C C . GLY B 2 448 ? -4.509 -29.593 -36.488 1.00 41.47 ? 449 GLY B C 1 ? ? +7930 ATOM O O . GLY B 2 448 ? -4.196 -30.727 -36.148 1.00 41.51 ? 449 GLY B O 1 ? ? +7931 ATOM N N . TRP B 2 449 ? -4.315 -28.503 -35.739 1.00 41.28 ? 450 TRP B N 1 ? ? +7932 ATOM C CA . TRP B 2 449 ? -3.577 -28.554 -34.489 1.00 41.07 ? 450 TRP B CA 1 ? ? +7933 ATOM C CB . TRP B 2 449 ? -3.348 -27.143 -33.928 1.00 40.87 ? 450 TRP B CB 1 ? ? +7934 ATOM C CG . TRP B 2 449 ? -2.294 -26.393 -34.661 1.00 40.58 ? 450 TRP B CG 1 ? ? +7935 ATOM C CD1 . TRP B 2 449 ? -2.441 -25.243 -35.367 1.00 40.54 ? 450 TRP B CD1 1 ? ? +7936 ATOM N NE1 . TRP B 2 449 ? -1.228 -24.859 -35.898 1.00 40.27 ? 450 TRP B NE1 1 ? ? +7937 ATOM C CE2 . TRP B 2 449 ? -0.275 -25.780 -35.556 1.00 40.13 ? 450 TRP B CE2 1 ? ? +7938 ATOM C CZ2 . TRP B 2 449 ? 1.085 -25.839 -35.880 1.00 39.89 ? 450 TRP B CZ2 1 ? ? +7939 ATOM C CH2 . TRP B 2 449 ? 1.802 -26.894 -35.397 1.00 39.84 ? 450 TRP B CH2 1 ? ? +7940 ATOM C CZ3 . TRP B 2 449 ? 1.206 -27.878 -34.607 1.00 40.01 ? 450 TRP B CZ3 1 ? ? +7941 ATOM C CE3 . TRP B 2 449 ? -0.148 -27.823 -34.290 1.00 40.25 ? 450 TRP B CE3 1 ? ? +7942 ATOM C CD2 . TRP B 2 449 ? -0.906 -26.759 -34.769 1.00 40.31 ? 450 TRP B CD2 1 ? ? +7943 ATOM C C . TRP B 2 449 ? -4.252 -29.457 -33.461 1.00 41.33 ? 450 TRP B C 1 ? ? +7944 ATOM O O . TRP B 2 449 ? -3.555 -30.234 -32.800 1.00 41.25 ? 450 TRP B O 1 ? ? +7945 ATOM N N . PHE B 2 450 ? -5.590 -29.340 -33.310 1.00 41.67 ? 451 PHE B N 1 ? ? +7946 ATOM C CA . PHE B 2 450 ? -6.297 -30.157 -32.349 1.00 41.97 ? 451 PHE B CA 1 ? ? +7947 ATOM C CB . PHE B 2 450 ? -7.861 -29.913 -32.394 1.00 42.39 ? 451 PHE B CB 1 ? ? +7948 ATOM C CG . PHE B 2 450 ? -8.565 -30.779 -31.388 1.00 42.74 ? 451 PHE B CG 1 ? ? +7949 ATOM C CD1 . PHE B 2 450 ? -8.810 -32.113 -31.654 1.00 43.00 ? 451 PHE B CD1 1 ? ? +7950 ATOM C CD2 . PHE B 2 450 ? -8.853 -30.298 -30.124 1.00 42.79 ? 451 PHE B CD2 1 ? ? +7951 ATOM C CE1 . PHE B 2 450 ? -9.416 -32.933 -30.700 1.00 43.35 ? 451 PHE B CE1 1 ? ? +7952 ATOM C CE2 . PHE B 2 450 ? -9.455 -31.122 -29.165 1.00 43.13 ? 451 PHE B CE2 1 ? ? +7953 ATOM C CZ . PHE B 2 450 ? -9.725 -32.436 -29.457 1.00 43.41 ? 451 PHE B CZ 1 ? ? +7954 ATOM C C . PHE B 2 450 ? -6.003 -31.629 -32.614 1.00 42.08 ? 451 PHE B C 1 ? ? +7955 ATOM O O . PHE B 2 450 ? -5.733 -32.400 -31.702 1.00 42.13 ? 451 PHE B O 1 ? ? +7956 ATOM N N . THR B 2 451 ? -6.125 -32.018 -33.881 1.00 42.17 ? 452 THR B N 1 ? ? +7957 ATOM C CA . THR B 2 451 ? -6.019 -33.403 -34.300 1.00 42.35 ? 452 THR B CA 1 ? ? +7958 ATOM C CB . THR B 2 451 ? -6.376 -33.501 -35.774 1.00 42.48 ? 452 THR B CB 1 ? ? +7959 ATOM O OG1 . THR B 2 451 ? -7.730 -33.002 -35.922 1.00 42.81 ? 452 THR B OG1 1 ? ? +7960 ATOM C CG2 . THR B 2 451 ? -6.272 -34.940 -36.327 1.00 42.69 ? 452 THR B CG2 1 ? ? +7961 ATOM C C . THR B 2 451 ? -4.628 -33.955 -34.029 1.00 42.05 ? 452 THR B C 1 ? ? +7962 ATOM O O . THR B 2 451 ? -4.485 -35.015 -33.424 1.00 42.19 ? 452 THR B O 1 ? ? +7963 ATOM N N . PHE B 2 452 ? -3.608 -33.211 -34.482 1.00 41.67 ? 453 PHE B N 1 ? ? +7964 ATOM C CA . PHE B 2 452 ? -2.223 -33.596 -34.269 1.00 41.40 ? 453 PHE B CA 1 ? ? +7965 ATOM C CB . PHE B 2 452 ? -1.302 -32.502 -34.733 1.00 41.04 ? 453 PHE B CB 1 ? ? +7966 ATOM C CG . PHE B 2 452 ? 0.155 -32.733 -34.393 1.00 40.76 ? 453 PHE B CG 1 ? ? +7967 ATOM C CD1 . PHE B 2 452 ? 0.830 -33.830 -34.889 1.00 40.79 ? 453 PHE B CD1 1 ? ? +7968 ATOM C CD2 . PHE B 2 452 ? 0.837 -31.857 -33.579 1.00 40.52 ? 453 PHE B CD2 1 ? ? +7969 ATOM C CE1 . PHE B 2 452 ? 2.185 -34.032 -34.605 1.00 40.58 ? 453 PHE B CE1 1 ? ? +7970 ATOM C CE2 . PHE B 2 452 ? 2.191 -32.057 -33.290 1.00 40.31 ? 453 PHE B CE2 1 ? ? +7971 ATOM C CZ . PHE B 2 452 ? 2.860 -33.147 -33.809 1.00 40.34 ? 453 PHE B CZ 1 ? ? +7972 ATOM C C . PHE B 2 452 ? -1.990 -33.871 -32.791 1.00 41.40 ? 453 PHE B C 1 ? ? +7973 ATOM O O . PHE B 2 452 ? -1.573 -34.963 -32.417 1.00 41.48 ? 453 PHE B O 1 ? ? +7974 ATOM N N . ALA B 2 453 ? -2.312 -32.883 -31.947 1.00 41.33 ? 454 ALA B N 1 ? ? +7975 ATOM C CA . ALA B 2 453 ? -1.994 -32.970 -30.532 1.00 41.31 ? 454 ALA B CA 1 ? ? +7976 ATOM C CB . ALA B 2 453 ? -2.396 -31.705 -29.804 1.00 41.24 ? 454 ALA B CB 1 ? ? +7977 ATOM C C . ALA B 2 453 ? -2.657 -34.186 -29.906 1.00 41.68 ? 454 ALA B C 1 ? ? +7978 ATOM O O . ALA B 2 453 ? -2.048 -34.921 -29.142 1.00 41.70 ? 454 ALA B O 1 ? ? +7979 ATOM N N . HIS B 2 454 ? -3.921 -34.411 -30.252 1.00 42.01 ? 455 HIS B N 1 ? ? +7980 ATOM C CA . HIS B 2 454 ? -4.672 -35.485 -29.630 1.00 42.42 ? 455 HIS B CA 1 ? ? +7981 ATOM C CB . HIS B 2 454 ? -6.194 -35.187 -29.774 1.00 42.77 ? 455 HIS B CB 1 ? ? +7982 ATOM C CG . HIS B 2 454 ? -6.567 -34.091 -28.824 1.00 42.73 ? 455 HIS B CG 1 ? ? +7983 ATOM N ND1 . HIS B 2 454 ? -6.456 -32.772 -29.180 1.00 42.46 ? 455 HIS B ND1 1 ? ? +7984 ATOM C CE1 . HIS B 2 454 ? -6.758 -32.079 -28.092 1.00 42.49 ? 455 HIS B CE1 1 ? ? +7985 ATOM N NE2 . HIS B 2 454 ? -7.012 -32.884 -27.066 1.00 42.75 ? 455 HIS B NE2 1 ? ? +7986 ATOM C CD2 . HIS B 2 454 ? -6.858 -34.162 -27.508 1.00 42.90 ? 455 HIS B CD2 1 ? ? +7987 ATOM C C . HIS B 2 454 ? -4.239 -36.860 -30.135 1.00 42.57 ? 455 HIS B C 1 ? ? +7988 ATOM O O . HIS B 2 454 ? -4.202 -37.804 -29.355 1.00 42.78 ? 455 HIS B O 1 ? ? +7989 ATOM N N . ALA B 2 455 ? -3.896 -36.970 -31.419 1.00 42.51 ? 456 ALA B N 1 ? ? +7990 ATOM C CA . ALA B 2 455 ? -3.375 -38.225 -31.939 1.00 42.70 ? 456 ALA B CA 1 ? ? +7991 ATOM C CB . ALA B 2 455 ? -3.205 -38.165 -33.459 1.00 42.59 ? 456 ALA B CB 1 ? ? +7992 ATOM C C . ALA B 2 455 ? -2.039 -38.555 -31.259 1.00 42.56 ? 456 ALA B C 1 ? ? +7993 ATOM O O . ALA B 2 455 ? -1.772 -39.693 -30.895 1.00 42.76 ? 456 ALA B O 1 ? ? +7994 ATOM N N . VAL B 2 456 ? -1.206 -37.544 -31.042 1.00 42.30 ? 457 VAL B N 1 ? ? +7995 ATOM C CA . VAL B 2 456 ? 0.097 -37.797 -30.459 1.00 42.24 ? 457 VAL B CA 1 ? ? +7996 ATOM C CB . VAL B 2 456 ? 1.048 -36.607 -30.621 1.00 41.78 ? 457 VAL B CB 1 ? ? +7997 ATOM C CG1 . VAL B 2 456 ? 2.329 -36.833 -29.824 1.00 41.63 ? 457 VAL B CG1 1 ? ? +7998 ATOM C CG2 . VAL B 2 456 ? 1.346 -36.370 -32.091 1.00 41.61 ? 457 VAL B CG2 1 ? ? +7999 ATOM C C . VAL B 2 456 ? -0.066 -38.196 -28.998 1.00 42.59 ? 457 VAL B C 1 ? ? +8000 ATOM O O . VAL B 2 456 ? 0.588 -39.133 -28.530 1.00 42.78 ? 457 VAL B O 1 ? ? +8001 ATOM N N . PHE B 2 457 ? -0.928 -37.484 -28.270 1.00 42.82 ? 458 PHE B N 1 ? ? +8002 ATOM C CA . PHE B 2 457 ? -1.130 -37.815 -26.872 1.00 43.15 ? 458 PHE B CA 1 ? ? +8003 ATOM C CB . PHE B 2 457 ? -1.982 -36.773 -26.148 1.00 43.23 ? 458 PHE B CB 1 ? ? +8004 ATOM C CG . PHE B 2 457 ? -1.346 -35.420 -25.981 1.00 42.86 ? 458 PHE B CG 1 ? ? +8005 ATOM C CD1 . PHE B 2 457 ? 0.007 -35.299 -25.746 1.00 42.57 ? 458 PHE B CD1 1 ? ? +8006 ATOM C CD2 . PHE B 2 457 ? -2.110 -34.267 -26.025 1.00 42.81 ? 458 PHE B CD2 1 ? ? +8007 ATOM C CE1 . PHE B 2 457 ? 0.580 -34.061 -25.593 1.00 42.25 ? 458 PHE B CE1 1 ? ? +8008 ATOM C CE2 . PHE B 2 457 ? -1.525 -33.030 -25.861 1.00 42.48 ? 458 PHE B CE2 1 ? ? +8009 ATOM C CZ . PHE B 2 457 ? -0.181 -32.937 -25.661 1.00 42.20 ? 458 PHE B CZ 1 ? ? +8010 ATOM C C . PHE B 2 457 ? -1.754 -39.195 -26.708 1.00 43.71 ? 458 PHE B C 1 ? ? +8011 ATOM O O . PHE B 2 457 ? -1.406 -39.918 -25.780 1.00 43.91 ? 458 PHE B O 1 ? ? +8012 ATOM N N . ALA B 2 458 ? -2.678 -39.566 -27.598 1.00 44.10 ? 459 ALA B N 1 ? ? +8013 ATOM C CA . ALA B 2 458 ? -3.349 -40.852 -27.470 1.00 44.65 ? 459 ALA B CA 1 ? ? +8014 ATOM C CB . ALA B 2 458 ? -4.459 -41.006 -28.514 1.00 44.90 ? 459 ALA B CB 1 ? ? +8015 ATOM C C . ALA B 2 458 ? -2.318 -41.976 -27.592 1.00 44.75 ? 459 ALA B C 1 ? ? +8016 ATOM O O . ALA B 2 458 ? -2.323 -42.933 -26.819 1.00 45.00 ? 459 ALA B O 1 ? ? +8017 ATOM N N . LEU B 2 459 ? -1.414 -41.830 -28.559 1.00 44.59 ? 460 LEU B N 1 ? ? +8018 ATOM C CA . LEU B 2 459 ? -0.391 -42.837 -28.803 1.00 44.73 ? 460 LEU B CA 1 ? ? +8019 ATOM C CB . LEU B 2 459 ? 0.329 -42.520 -30.115 1.00 44.54 ? 460 LEU B CB 1 ? ? +8020 ATOM C CG . LEU B 2 459 ? 1.207 -43.604 -30.651 1.00 44.74 ? 460 LEU B CG 1 ? ? +8021 ATOM C CD1 . LEU B 2 459 ? 0.411 -44.800 -31.054 1.00 45.22 ? 460 LEU B CD1 1 ? ? +8022 ATOM C CD2 . LEU B 2 459 ? 2.016 -43.110 -31.835 1.00 44.49 ? 460 LEU B CD2 1 ? ? +8023 ATOM C C . LEU B 2 459 ? 0.582 -42.945 -27.630 1.00 44.57 ? 460 LEU B C 1 ? ? +8024 ATOM O O . LEU B 2 459 ? 0.935 -44.044 -27.227 1.00 44.75 ? 460 LEU B O 1 ? ? +8025 ATOM N N . LEU B 2 460 ? 0.962 -41.803 -27.055 1.00 44.32 ? 461 LEU B N 1 ? ? +8026 ATOM C CA . LEU B 2 460 ? 1.797 -41.776 -25.863 1.00 44.33 ? 461 LEU B CA 1 ? ? +8027 ATOM C CB . LEU B 2 460 ? 2.183 -40.326 -25.546 1.00 44.08 ? 461 LEU B CB 1 ? ? +8028 ATOM C CG . LEU B 2 460 ? 3.242 -39.704 -26.489 1.00 43.81 ? 461 LEU B CG 1 ? ? +8029 ATOM C CD1 . LEU B 2 460 ? 3.627 -38.291 -26.043 1.00 43.49 ? 461 LEU B CD1 1 ? ? +8030 ATOM C CD2 . LEU B 2 460 ? 4.489 -40.563 -26.572 1.00 43.87 ? 461 LEU B CD2 1 ? ? +8031 ATOM C C . LEU B 2 460 ? 1.121 -42.408 -24.649 1.00 44.69 ? 461 LEU B C 1 ? ? +8032 ATOM O O . LEU B 2 460 ? 1.758 -43.124 -23.877 1.00 44.78 ? 461 LEU B O 1 ? ? +8033 ATOM N N . PHE B 2 461 ? -0.185 -42.154 -24.490 1.00 44.83 ? 462 PHE B N 1 ? ? +8034 ATOM C CA . PHE B 2 461 ? -0.915 -42.712 -23.366 1.00 45.16 ? 462 PHE B CA 1 ? ? +8035 ATOM C CB . PHE B 2 461 ? -2.250 -41.971 -23.174 1.00 45.35 ? 462 PHE B CB 1 ? ? +8036 ATOM C CG . PHE B 2 461 ? -2.095 -40.760 -22.274 1.00 45.15 ? 462 PHE B CG 1 ? ? +8037 ATOM C CD1 . PHE B 2 461 ? -1.326 -39.689 -22.658 1.00 44.69 ? 462 PHE B CD1 1 ? ? +8038 ATOM C CD2 . PHE B 2 461 ? -2.697 -40.716 -21.029 1.00 45.49 ? 462 PHE B CD2 1 ? ? +8039 ATOM C CE1 . PHE B 2 461 ? -1.203 -38.572 -21.838 1.00 44.54 ? 462 PHE B CE1 1 ? ? +8040 ATOM C CE2 . PHE B 2 461 ? -2.550 -39.616 -20.207 1.00 45.32 ? 462 PHE B CE2 1 ? ? +8041 ATOM C CZ . PHE B 2 461 ? -1.800 -38.550 -20.615 1.00 44.85 ? 462 PHE B CZ 1 ? ? +8042 ATOM C C . PHE B 2 461 ? -1.055 -44.228 -23.489 1.00 45.48 ? 462 PHE B C 1 ? ? +8043 ATOM O O . PHE B 2 461 ? -1.070 -44.936 -22.487 1.00 45.70 ? 462 PHE B O 1 ? ? +8044 ATOM N N . PHE B 2 462 ? -1.088 -44.745 -24.716 1.00 45.51 ? 463 PHE B N 1 ? ? +8045 ATOM C CA . PHE B 2 462 ? -0.983 -46.181 -24.909 1.00 45.98 ? 463 PHE B CA 1 ? ? +8046 ATOM C CB . PHE B 2 462 ? -0.868 -46.523 -26.404 1.00 45.95 ? 463 PHE B CB 1 ? ? +8047 ATOM C CG . PHE B 2 462 ? -0.509 -47.967 -26.672 1.00 46.38 ? 463 PHE B CG 1 ? ? +8048 ATOM C CD1 . PHE B 2 462 ? -1.413 -48.987 -26.390 1.00 46.97 ? 463 PHE B CD1 1 ? ? +8049 ATOM C CD2 . PHE B 2 462 ? 0.741 -48.309 -27.190 1.00 46.17 ? 463 PHE B CD2 1 ? ? +8050 ATOM C CE1 . PHE B 2 462 ? -1.068 -50.323 -26.616 1.00 47.31 ? 463 PHE B CE1 1 ? ? +8051 ATOM C CE2 . PHE B 2 462 ? 1.077 -49.632 -27.416 1.00 46.53 ? 463 PHE B CE2 1 ? ? +8052 ATOM C CZ . PHE B 2 462 ? 0.174 -50.633 -27.133 1.00 47.09 ? 463 PHE B CZ 1 ? ? +8053 ATOM C C . PHE B 2 462 ? 0.214 -46.759 -24.148 1.00 46.11 ? 463 PHE B C 1 ? ? +8054 ATOM O O . PHE B 2 462 ? 0.088 -47.780 -23.468 1.00 46.59 ? 463 PHE B O 1 ? ? +8055 ATOM N N . PHE B 2 463 ? 1.381 -46.100 -24.252 1.00 45.72 ? 464 PHE B N 1 ? ? +8056 ATOM C CA . PHE B 2 463 ? 2.549 -46.562 -23.534 1.00 45.79 ? 464 PHE B CA 1 ? ? +8057 ATOM C CB . PHE B 2 463 ? 3.805 -45.793 -23.953 1.00 45.49 ? 464 PHE B CB 1 ? ? +8058 ATOM C CG . PHE B 2 463 ? 5.009 -46.316 -23.230 1.00 45.73 ? 464 PHE B CG 1 ? ? +8059 ATOM C CD1 . PHE B 2 463 ? 5.337 -45.845 -21.988 1.00 45.84 ? 464 PHE B CD1 1 ? ? +8060 ATOM C CD2 . PHE B 2 463 ? 5.731 -47.370 -23.736 1.00 46.04 ? 464 PHE B CD2 1 ? ? +8061 ATOM C CE1 . PHE B 2 463 ? 6.432 -46.351 -21.300 1.00 46.10 ? 464 PHE B CE1 1 ? ? +8062 ATOM C CE2 . PHE B 2 463 ? 6.823 -47.884 -23.040 1.00 46.26 ? 464 PHE B CE2 1 ? ? +8063 ATOM C CZ . PHE B 2 463 ? 7.166 -47.370 -21.831 1.00 46.30 ? 464 PHE B CZ 1 ? ? +8064 ATOM C C . PHE B 2 463 ? 2.336 -46.490 -22.026 1.00 45.91 ? 464 PHE B C 1 ? ? +8065 ATOM O O . PHE B 2 463 ? 2.708 -47.411 -21.301 1.00 46.26 ? 464 PHE B O 1 ? ? +8066 ATOM N N . GLY B 2 464 ? 1.745 -45.388 -21.556 1.00 45.68 ? 465 GLY B N 1 ? ? +8067 ATOM C CA . GLY B 2 464 ? 1.354 -45.264 -20.156 1.00 45.86 ? 465 GLY B CA 1 ? ? +8068 ATOM C C . GLY B 2 464 ? 0.510 -46.425 -19.633 1.00 46.38 ? 465 GLY B C 1 ? ? +8069 ATOM O O . GLY B 2 464 ? 0.675 -46.869 -18.498 1.00 46.73 ? 465 GLY B O 1 ? ? +8070 ATOM N N . HIS B 2 465 ? -0.412 -46.903 -20.469 1.00 46.49 ? 466 HIS B N 1 ? ? +8071 ATOM C CA . HIS B 2 465 ? -1.294 -47.993 -20.092 1.00 47.01 ? 466 HIS B CA 1 ? ? +8072 ATOM C CB . HIS B 2 465 ? -2.432 -48.111 -21.122 1.00 47.08 ? 466 HIS B CB 1 ? ? +8073 ATOM C CG . HIS B 2 465 ? -3.131 -49.424 -21.046 1.00 47.63 ? 466 HIS B CG 1 ? ? +8074 ATOM N ND1 . HIS B 2 465 ? -3.677 -49.859 -19.876 1.00 48.07 ? 466 HIS B ND1 1 ? ? +8075 ATOM C CE1 . HIS B 2 465 ? -4.190 -51.050 -20.136 1.00 48.59 ? 466 HIS B CE1 1 ? ? +8076 ATOM N NE2 . HIS B 2 465 ? -3.990 -51.387 -21.409 1.00 48.46 ? 466 HIS B NE2 1 ? ? +8077 ATOM C CD2 . HIS B 2 465 ? -3.293 -50.368 -21.992 1.00 47.84 ? 466 HIS B CD2 1 ? ? +8078 ATOM C C . HIS B 2 465 ? -0.528 -49.311 -19.955 1.00 47.24 ? 466 HIS B C 1 ? ? +8079 ATOM O O . HIS B 2 465 ? -0.652 -50.019 -18.964 1.00 47.57 ? 466 HIS B O 1 ? ? +8080 ATOM N N . ILE B 2 466 ? 0.265 -49.631 -20.973 1.00 47.07 ? 467 ILE B N 1 ? ? +8081 ATOM C CA . ILE B 2 466 ? 1.198 -50.753 -20.927 1.00 47.32 ? 467 ILE B CA 1 ? ? +8082 ATOM C CB . ILE B 2 466 ? 2.026 -50.744 -22.248 1.00 47.02 ? 467 ILE B CB 1 ? ? +8083 ATOM C CG1 . ILE B 2 466 ? 1.117 -51.136 -23.444 1.00 47.17 ? 467 ILE B CG1 1 ? ? +8084 ATOM C CG2 . ILE B 2 466 ? 3.295 -51.619 -22.167 1.00 47.13 ? 467 ILE B CG2 1 ? ? +8085 ATOM C CD1 . ILE B 2 466 ? 0.405 -52.348 -23.269 1.00 47.74 ? 467 ILE B CD1 1 ? ? +8086 ATOM C C . ILE B 2 466 ? 2.131 -50.747 -19.712 1.00 47.28 ? 467 ILE B C 1 ? ? +8087 ATOM O O . ILE B 2 466 ? 2.339 -51.782 -19.084 1.00 47.65 ? 467 ILE B O 1 ? ? +8088 ATOM N N A TRP B 2 467 ? 2.686 -49.573 -19.392 0.40 46.83 ? 468 TRP B N 1 ? ? +8089 ATOM N N B TRP B 2 467 ? 2.687 -49.574 -19.392 0.60 46.85 ? 468 TRP B N 1 ? ? +8090 ATOM C CA A TRP B 2 467 ? 3.566 -49.444 -18.245 0.40 46.86 ? 468 TRP B CA 1 ? ? +8091 ATOM C CA B TRP B 2 467 ? 3.564 -49.444 -18.245 0.60 46.91 ? 468 TRP B CA 1 ? ? +8092 ATOM C C A TRP B 2 467 ? 2.838 -49.747 -16.940 0.40 47.32 ? 468 TRP B C 1 ? ? +8093 ATOM C C B TRP B 2 467 ? 2.836 -49.748 -16.941 0.60 47.33 ? 468 TRP B C 1 ? ? +8094 ATOM O O A TRP B 2 467 ? 3.210 -50.657 -16.204 0.40 47.68 ? 468 TRP B O 1 ? ? +8095 ATOM O O B TRP B 2 467 ? 3.209 -50.655 -16.202 0.60 47.67 ? 468 TRP B O 1 ? ? +8096 ATOM C CB A TRP B 2 467 ? 4.186 -48.047 -18.171 0.40 46.37 ? 468 TRP B CB 1 ? ? +8097 ATOM C CB B TRP B 2 467 ? 4.183 -48.043 -18.171 0.60 46.46 ? 468 TRP B CB 1 ? ? +8098 ATOM C CG A TRP B 2 467 ? 5.025 -47.877 -16.946 0.40 46.47 ? 468 TRP B CG 1 ? ? +8099 ATOM C CG B TRP B 2 467 ? 5.026 -47.874 -16.948 0.60 46.62 ? 468 TRP B CG 1 ? ? +8100 ATOM C CD1 A TRP B 2 467 ? 4.708 -47.170 -15.828 0.40 46.53 ? 468 TRP B CD1 1 ? ? +8101 ATOM C CD1 B TRP B 2 467 ? 4.708 -47.174 -15.826 0.60 46.71 ? 468 TRP B CD1 1 ? ? +8102 ATOM C CD2 A TRP B 2 467 ? 6.304 -48.463 -16.703 0.40 46.56 ? 468 TRP B CD2 1 ? ? +8103 ATOM C CD2 B TRP B 2 467 ? 6.304 -48.458 -16.709 0.60 46.77 ? 468 TRP B CD2 1 ? ? +8104 ATOM N NE1 A TRP B 2 467 ? 5.713 -47.275 -14.903 0.40 46.63 ? 468 TRP B NE1 1 ? ? +8105 ATOM N NE1 B TRP B 2 467 ? 5.710 -47.284 -14.902 0.60 46.83 ? 468 TRP B NE1 1 ? ? +8106 ATOM C CE2 A TRP B 2 467 ? 6.709 -48.062 -15.416 0.40 46.66 ? 468 TRP B CE2 1 ? ? +8107 ATOM C CE2 B TRP B 2 467 ? 6.708 -48.064 -15.418 0.60 46.89 ? 468 TRP B CE2 1 ? ? +8108 ATOM C CE3 A TRP B 2 467 ? 7.157 -49.283 -17.452 0.40 46.59 ? 468 TRP B CE3 1 ? ? +8109 ATOM C CE3 B TRP B 2 467 ? 7.163 -49.268 -17.466 0.60 46.85 ? 468 TRP B CE3 1 ? ? +8110 ATOM C CZ2 A TRP B 2 467 ? 7.935 -48.447 -14.864 0.40 46.80 ? 468 TRP B CZ2 1 ? ? +8111 ATOM C CZ2 B TRP B 2 467 ? 7.939 -48.447 -14.869 0.60 47.06 ? 468 TRP B CZ2 1 ? ? +8112 ATOM C CZ3 A TRP B 2 467 ? 8.367 -49.665 -16.902 0.40 46.70 ? 468 TRP B CZ3 1 ? ? +8113 ATOM C CZ3 B TRP B 2 467 ? 8.376 -49.650 -16.917 0.60 46.98 ? 468 TRP B CZ3 1 ? ? +8114 ATOM C CH2 A TRP B 2 467 ? 8.743 -49.250 -15.622 0.40 46.80 ? 468 TRP B CH2 1 ? ? +8115 ATOM C CH2 B TRP B 2 467 ? 8.751 -49.243 -15.633 0.60 47.07 ? 468 TRP B CH2 1 ? ? +8116 ATOM N N . HIS B 2 468 ? 1.783 -48.974 -16.662 1.00 47.33 ? 469 HIS B N 1 ? ? +8117 ATOM C CA . HIS B 2 468 ? 1.031 -49.132 -15.425 1.00 47.76 ? 469 HIS B CA 1 ? ? +8118 ATOM C CB . HIS B 2 468 ? 0.133 -47.949 -15.218 1.00 47.55 ? 469 HIS B CB 1 ? ? +8119 ATOM C CG . HIS B 2 468 ? 0.925 -46.742 -14.826 1.00 47.03 ? 469 HIS B CG 1 ? ? +8120 ATOM N ND1 . HIS B 2 468 ? 1.545 -46.668 -13.614 1.00 47.10 ? 469 HIS B ND1 1 ? ? +8121 ATOM C CE1 . HIS B 2 468 ? 2.135 -45.486 -13.579 1.00 46.67 ? 469 HIS B CE1 1 ? ? +8122 ATOM N NE2 . HIS B 2 468 ? 1.926 -44.815 -14.703 1.00 46.24 ? 469 HIS B NE2 1 ? ? +8123 ATOM C CD2 . HIS B 2 468 ? 1.163 -45.606 -15.506 1.00 46.48 ? 469 HIS B CD2 1 ? ? +8124 ATOM C C . HIS B 2 468 ? 0.280 -50.454 -15.325 1.00 48.38 ? 469 HIS B C 1 ? ? +8125 ATOM O O . HIS B 2 468 ? 0.167 -51.007 -14.240 1.00 48.83 ? 469 HIS B O 1 ? ? +8126 ATOM N N . GLY B 2 469 ? -0.149 -51.001 -16.459 1.00 48.55 ? 470 GLY B N 1 ? ? +8127 ATOM C CA . GLY B 2 469 ? -0.703 -52.347 -16.478 1.00 49.32 ? 470 GLY B CA 1 ? ? +8128 ATOM C C . GLY B 2 469 ? 0.322 -53.397 -16.060 1.00 49.76 ? 470 GLY B C 1 ? ? +8129 ATOM O O . GLY B 2 469 ? 0.016 -54.306 -15.296 1.00 50.33 ? 470 GLY B O 1 ? ? +8130 ATOM N N . ALA B 2 470 ? 1.546 -53.255 -16.585 1.00 49.65 ? 471 ALA B N 1 ? ? +8131 ATOM C CA . ALA B 2 470 ? 2.644 -54.136 -16.238 1.00 50.07 ? 471 ALA B CA 1 ? ? +8132 ATOM C CB . ALA B 2 470 ? 3.858 -53.791 -17.059 1.00 49.58 ? 471 ALA B CB 1 ? ? +8133 ATOM C C . ALA B 2 470 ? 2.952 -54.065 -14.746 1.00 50.61 ? 471 ALA B C 1 ? ? +8134 ATOM O O . ALA B 2 470 ? 3.083 -55.096 -14.095 1.00 51.20 ? 471 ALA B O 1 ? ? +8135 ATOM N N . ARG B 2 471 ? 3.018 -52.853 -14.192 1.00 50.72 ? 472 ARG B N 1 ? ? +8136 ATOM C CA . ARG B 2 471 ? 3.291 -52.694 -12.771 1.00 51.38 ? 472 ARG B CA 1 ? ? +8137 ATOM C CB . ARG B 2 471 ? 3.396 -51.225 -12.373 1.00 51.25 ? 472 ARG B CB 1 ? ? +8138 ATOM C CG . ARG B 2 471 ? 4.647 -50.564 -12.923 1.00 50.93 ? 472 ARG B CG 1 ? ? +8139 ATOM C CD . ARG B 2 471 ? 5.434 -49.766 -11.918 1.00 50.98 ? 472 ARG B CD 1 ? ? +8140 ATOM N NE . ARG B 2 471 ? 4.650 -49.215 -10.819 1.00 51.38 ? 472 ARG B NE 1 ? ? +8141 ATOM C CZ . ARG B 2 471 ? 5.013 -49.302 -9.544 1.00 51.93 ? 472 ARG B CZ 1 ? ? +8142 ATOM N NH1 . ARG B 2 471 ? 6.177 -49.825 -9.192 1.00 52.26 ? 472 ARG B NH1 1 ? ? +8143 ATOM N NH2 . ARG B 2 471 ? 4.205 -48.828 -8.601 1.00 52.10 ? 472 ARG B NH2 1 ? ? +8144 ATOM C C . ARG B 2 471 ? 2.244 -53.313 -11.857 1.00 52.19 ? 472 ARG B C 1 ? ? +8145 ATOM O O . ARG B 2 471 ? 2.566 -53.768 -10.764 1.00 52.74 ? 472 ARG B O 1 ? ? +8146 ATOM N N . THR B 2 472 ? 0.987 -53.296 -12.295 1.00 52.48 ? 473 THR B N 1 ? ? +8147 ATOM C CA . THR B 2 472 ? -0.086 -53.863 -11.500 1.00 53.25 ? 473 THR B CA 1 ? ? +8148 ATOM C CB . THR B 2 472 ? -1.416 -53.449 -12.098 1.00 53.10 ? 473 THR B CB 1 ? ? +8149 ATOM O OG1 . THR B 2 472 ? -1.418 -52.029 -12.203 1.00 52.44 ? 473 THR B OG1 1 ? ? +8150 ATOM C CG2 . THR B 2 472 ? -2.600 -53.926 -11.268 1.00 53.81 ? 473 THR B CG2 1 ? ? +8151 ATOM C C . THR B 2 472 ? 0.077 -55.379 -11.405 1.00 54.13 ? 473 THR B C 1 ? ? +8152 ATOM O O . THR B 2 472 ? 0.050 -55.950 -10.313 1.00 54.68 ? 473 THR B O 1 ? ? +8153 ATOM N N . LEU B 2 473 ? 0.260 -56.015 -12.570 1.00 54.44 ? 474 LEU B N 1 ? ? +8154 ATOM C CA . LEU B 2 473 ? 0.214 -57.463 -12.684 1.00 55.27 ? 474 LEU B CA 1 ? ? +8155 ATOM C CB . LEU B 2 473 ? -0.207 -57.855 -14.105 1.00 55.22 ? 474 LEU B CB 1 ? ? +8156 ATOM C CG . LEU B 2 473 ? -1.588 -57.317 -14.575 1.00 55.28 ? 474 LEU B CG 1 ? ? +8157 ATOM C CD1 . LEU B 2 473 ? -1.885 -57.739 -15.981 1.00 55.27 ? 474 LEU B CD1 1 ? ? +8158 ATOM C CD2 . LEU B 2 473 ? -2.735 -57.792 -13.726 1.00 55.93 ? 474 LEU B CD2 1 ? ? +8159 ATOM C C . LEU B 2 473 ? 1.546 -58.118 -12.333 1.00 55.70 ? 474 LEU B C 1 ? ? +8160 ATOM O O . LEU B 2 473 ? 1.588 -59.333 -12.134 1.00 56.15 ? 474 LEU B O 1 ? ? +8161 ATOM N N . PHE B 2 474 ? 2.619 -57.315 -12.247 1.00 55.68 ? 475 PHE B N 1 ? ? +8162 ATOM C CA . PHE B 2 474 ? 3.936 -57.830 -11.898 1.00 56.26 ? 475 PHE B CA 1 ? ? +8163 ATOM C CB . PHE B 2 474 ? 4.880 -57.734 -13.097 1.00 55.24 ? 475 PHE B CB 1 ? ? +8164 ATOM C CG . PHE B 2 474 ? 4.493 -58.588 -14.270 1.00 54.86 ? 475 PHE B CG 1 ? ? +8165 ATOM C CD1 . PHE B 2 474 ? 3.528 -58.166 -15.168 1.00 54.37 ? 475 PHE B CD1 1 ? ? +8166 ATOM C CD2 . PHE B 2 474 ? 5.092 -59.813 -14.477 1.00 55.03 ? 475 PHE B CD2 1 ? ? +8167 ATOM C CE1 . PHE B 2 474 ? 3.175 -58.954 -16.248 1.00 54.34 ? 475 PHE B CE1 1 ? ? +8168 ATOM C CE2 . PHE B 2 474 ? 4.734 -60.597 -15.557 1.00 55.05 ? 475 PHE B CE2 1 ? ? +8169 ATOM C CZ . PHE B 2 474 ? 3.774 -60.161 -16.438 1.00 54.69 ? 475 PHE B CZ 1 ? ? +8170 ATOM C C . PHE B 2 474 ? 4.563 -57.101 -10.713 1.00 57.48 ? 475 PHE B C 1 ? ? +8171 ATOM O O . PHE B 2 474 ? 5.793 -57.078 -10.566 1.00 57.65 ? 475 PHE B O 1 ? ? +8172 ATOM N N . ARG B 2 475 ? 3.711 -56.528 -9.858 1.00 59.01 ? 476 ARG B N 1 ? ? +8173 ATOM C CA . ARG B 2 475 ? 4.170 -55.814 -8.677 1.00 60.68 ? 476 ARG B CA 1 ? ? +8174 ATOM C CB . ARG B 2 475 ? 2.975 -55.479 -7.779 1.00 62.80 ? 476 ARG B CB 1 ? ? +8175 ATOM C CG . ARG B 2 475 ? 3.338 -54.738 -6.516 1.00 65.19 ? 476 ARG B CG 1 ? ? +8176 ATOM C CD . ARG B 2 475 ? 2.092 -54.213 -5.869 1.00 68.51 ? 476 ARG B CD 1 ? ? +8177 ATOM N NE . ARG B 2 475 ? 2.263 -53.869 -4.464 1.00 72.39 ? 476 ARG B NE 1 ? ? +8178 ATOM C CZ . ARG B 2 475 ? 1.252 -53.683 -3.614 1.00 76.30 ? 476 ARG B CZ 1 ? ? +8179 ATOM N NH1 . ARG B 2 475 ? -0.004 -53.616 -4.032 1.00 76.63 ? 476 ARG B NH1 1 ? ? +8180 ATOM N NH2 . ARG B 2 475 ? 1.508 -53.562 -2.314 1.00 78.63 ? 476 ARG B NH2 1 ? ? +8181 ATOM C C . ARG B 2 475 ? 5.189 -56.618 -7.871 1.00 60.81 ? 476 ARG B C 1 ? ? +8182 ATOM O O . ARG B 2 475 ? 6.169 -56.077 -7.366 1.00 60.15 ? 476 ARG B O 1 ? ? +8183 ATOM N N . ASP B 2 476 ? 4.928 -57.919 -7.749 1.00 61.25 ? 477 ASP B N 1 ? ? +8184 ATOM C CA . ASP B 2 476 ? 5.736 -58.797 -6.921 1.00 61.76 ? 477 ASP B CA 1 ? ? +8185 ATOM C CB . ASP B 2 476 ? 5.051 -60.169 -6.824 1.00 62.17 ? 477 ASP B CB 1 ? ? +8186 ATOM C CG . ASP B 2 476 ? 4.951 -60.889 -8.142 1.00 62.02 ? 477 ASP B CG 1 ? ? +8187 ATOM O OD1 . ASP B 2 476 ? 4.603 -60.237 -9.154 1.00 61.74 ? 477 ASP B OD1 1 ? ? +8188 ATOM O OD2 . ASP B 2 476 ? 5.216 -62.093 -8.171 1.00 62.41 ? 477 ASP B OD2 1 ? ? +8189 ATOM C C . ASP B 2 476 ? 7.182 -58.972 -7.385 1.00 61.76 ? 477 ASP B C 1 ? ? +8190 ATOM O O . ASP B 2 476 ? 8.034 -59.355 -6.585 1.00 62.33 ? 477 ASP B O 1 ? ? +8191 ATOM N N A VAL B 2 477 ? 7.450 -58.708 -8.671 0.40 61.30 ? 478 VAL B N 1 ? ? +8192 ATOM N N B VAL B 2 477 ? 7.449 -58.708 -8.670 0.60 61.32 ? 478 VAL B N 1 ? ? +8193 ATOM C CA A VAL B 2 477 ? 8.798 -58.816 -9.208 0.40 61.12 ? 478 VAL B CA 1 ? ? +8194 ATOM C CA B VAL B 2 477 ? 8.799 -58.821 -9.205 0.60 61.15 ? 478 VAL B CA 1 ? ? +8195 ATOM C C A VAL B 2 477 ? 9.334 -57.478 -9.715 0.40 60.54 ? 478 VAL B C 1 ? ? +8196 ATOM C C B VAL B 2 477 ? 9.341 -57.482 -9.700 0.60 60.58 ? 478 VAL B C 1 ? ? +8197 ATOM O O A VAL B 2 477 ? 10.276 -57.443 -10.502 0.40 60.32 ? 478 VAL B O 1 ? ? +8198 ATOM O O B VAL B 2 477 ? 10.305 -57.444 -10.456 0.60 60.36 ? 478 VAL B O 1 ? ? +8199 ATOM C CB A VAL B 2 477 ? 8.854 -59.874 -10.332 0.40 61.16 ? 478 VAL B CB 1 ? ? +8200 ATOM C CB B VAL B 2 477 ? 8.856 -59.877 -10.333 0.60 61.20 ? 478 VAL B CB 1 ? ? +8201 ATOM C CG1 A VAL B 2 477 ? 8.670 -61.279 -9.768 0.40 61.92 ? 478 VAL B CG1 1 ? ? +8202 ATOM C CG1 B VAL B 2 477 ? 8.667 -61.281 -9.772 0.60 61.95 ? 478 VAL B CG1 1 ? ? +8203 ATOM C CG2 A VAL B 2 477 ? 7.833 -59.575 -11.434 0.40 60.83 ? 478 VAL B CG2 1 ? ? +8204 ATOM C CG2 B VAL B 2 477 ? 7.839 -59.570 -11.441 0.60 60.87 ? 478 VAL B CG2 1 ? ? +8205 ATOM N N A PHE B 2 478 ? 8.731 -56.376 -9.260 0.40 60.54 ? 479 PHE B N 1 ? ? +8206 ATOM N N B PHE B 2 478 ? 8.725 -56.380 -9.263 0.60 60.62 ? 479 PHE B N 1 ? ? +8207 ATOM C CA A PHE B 2 478 ? 9.111 -55.057 -9.735 0.40 60.06 ? 479 PHE B CA 1 ? ? +8208 ATOM C CA B PHE B 2 478 ? 9.100 -55.061 -9.743 0.60 60.15 ? 479 PHE B CA 1 ? ? +8209 ATOM C C A PHE B 2 478 ? 10.571 -54.722 -9.427 0.40 60.28 ? 479 PHE B C 1 ? ? +8210 ATOM C C B PHE B 2 478 ? 10.576 -54.755 -9.482 0.60 60.31 ? 479 PHE B C 1 ? ? +8211 ATOM O O A PHE B 2 478 ? 11.212 -53.996 -10.180 0.40 59.51 ? 479 PHE B O 1 ? ? +8212 ATOM O O B PHE B 2 478 ? 11.237 -54.156 -10.323 0.60 59.51 ? 479 PHE B O 1 ? ? +8213 ATOM C CB A PHE B 2 478 ? 8.193 -53.986 -9.136 0.40 59.71 ? 479 PHE B CB 1 ? ? +8214 ATOM C CB B PHE B 2 478 ? 8.199 -53.991 -9.113 0.60 59.85 ? 479 PHE B CB 1 ? ? +8215 ATOM C CG A PHE B 2 478 ? 8.560 -52.571 -9.518 0.40 58.98 ? 479 PHE B CG 1 ? ? +8216 ATOM C CG B PHE B 2 478 ? 8.561 -52.572 -9.490 0.60 59.21 ? 479 PHE B CG 1 ? ? +8217 ATOM C CD1 A PHE B 2 478 ? 8.391 -52.119 -10.815 0.40 58.36 ? 479 PHE B CD1 1 ? ? +8218 ATOM C CD1 B PHE B 2 478 ? 8.395 -52.116 -10.790 0.60 58.57 ? 479 PHE B CD1 1 ? ? +8219 ATOM C CD2 A PHE B 2 478 ? 9.085 -51.697 -8.579 0.40 58.88 ? 479 PHE B CD2 1 ? ? +8220 ATOM C CD2 B PHE B 2 478 ? 9.089 -51.698 -8.547 0.60 59.16 ? 479 PHE B CD2 1 ? ? +8221 ATOM C CE1 A PHE B 2 478 ? 8.731 -50.814 -11.161 0.40 57.73 ? 479 PHE B CE1 1 ? ? +8222 ATOM C CE1 B PHE B 2 478 ? 8.733 -50.804 -11.133 0.60 57.94 ? 479 PHE B CE1 1 ? ? +8223 ATOM C CE2 A PHE B 2 478 ? 9.421 -50.397 -8.929 0.40 58.20 ? 479 PHE B CE2 1 ? ? +8224 ATOM C CE2 B PHE B 2 478 ? 9.420 -50.391 -8.893 0.60 58.45 ? 479 PHE B CE2 1 ? ? +8225 ATOM C CZ A PHE B 2 478 ? 9.241 -49.963 -10.216 0.40 57.69 ? 479 PHE B CZ 1 ? ? +8226 ATOM C CZ B PHE B 2 478 ? 9.240 -49.953 -10.182 0.60 57.91 ? 479 PHE B CZ 1 ? ? +8227 ATOM N N A SER B 2 479 ? 11.091 -55.245 -8.312 0.40 61.57 ? 480 SER B N 1 ? ? +8228 ATOM N N B SER B 2 479 ? 11.086 -55.179 -8.321 0.60 61.59 ? 480 SER B N 1 ? ? +8229 ATOM C CA A SER B 2 479 ? 12.466 -54.981 -7.917 0.40 62.25 ? 480 SER B CA 1 ? ? +8230 ATOM C CA B SER B 2 479 ? 12.473 -54.939 -7.945 0.60 62.33 ? 480 SER B CA 1 ? ? +8231 ATOM C C A SER B 2 479 ? 13.438 -56.032 -8.443 0.40 63.18 ? 480 SER B C 1 ? ? +8232 ATOM C C B SER B 2 479 ? 13.452 -55.972 -8.499 0.60 63.24 ? 480 SER B C 1 ? ? +8233 ATOM O O A SER B 2 479 ? 14.650 -55.893 -8.291 0.40 63.70 ? 480 SER B O 1 ? ? +8234 ATOM O O B SER B 2 479 ? 14.661 -55.759 -8.456 0.60 63.94 ? 480 SER B O 1 ? ? +8235 ATOM C CB A SER B 2 479 ? 12.594 -54.905 -6.400 0.40 62.81 ? 480 SER B CB 1 ? ? +8236 ATOM C CB B SER B 2 479 ? 12.622 -54.903 -6.428 0.60 63.01 ? 480 SER B CB 1 ? ? +8237 ATOM O OG A SER B 2 479 ? 12.017 -53.714 -5.894 0.40 62.92 ? 480 SER B OG 1 ? ? +8238 ATOM O OG B SER B 2 479 ? 12.013 -53.748 -5.881 0.60 63.38 ? 480 SER B OG 1 ? ? +8239 ATOM N N A GLY B 2 480 ? 12.892 -57.083 -9.061 0.40 64.05 ? 481 GLY B N 1 ? ? +8240 ATOM N N B GLY B 2 480 ? 12.918 -57.081 -9.020 0.60 63.97 ? 481 GLY B N 1 ? ? +8241 ATOM C CA A GLY B 2 480 ? 13.698 -58.164 -9.599 0.40 64.83 ? 481 GLY B CA 1 ? ? +8242 ATOM C CA B GLY B 2 480 ? 13.730 -58.173 -9.526 0.60 64.66 ? 481 GLY B CA 1 ? ? +8243 ATOM C C A GLY B 2 480 ? 13.073 -59.522 -9.303 0.40 66.39 ? 481 GLY B C 1 ? ? +8244 ATOM C C B GLY B 2 480 ? 13.056 -59.521 -9.295 0.60 66.24 ? 481 GLY B C 1 ? ? +8245 ATOM O O A GLY B 2 480 ? 12.146 -59.621 -8.506 0.40 66.86 ? 481 GLY B O 1 ? ? +8246 ATOM O O B GLY B 2 480 ? 12.079 -59.608 -8.559 0.60 66.80 ? 481 GLY B O 1 ? ? +8247 ATOM N N A ILE B 2 481 ? 13.599 -60.570 -9.939 0.40 68.02 ? 482 ILE B N 1 ? ? +8248 ATOM N N B ILE B 2 481 ? 13.594 -60.571 -9.920 0.60 68.00 ? 482 ILE B N 1 ? ? +8249 ATOM C CA A ILE B 2 481 ? 13.024 -61.895 -9.796 0.40 69.96 ? 482 ILE B CA 1 ? ? +8250 ATOM C CA B ILE B 2 481 ? 13.019 -61.899 -9.804 0.60 70.07 ? 482 ILE B CA 1 ? ? +8251 ATOM C C A ILE B 2 481 ? 13.518 -62.551 -8.512 0.40 72.23 ? 482 ILE B C 1 ? ? +8252 ATOM C C B ILE B 2 481 ? 13.528 -62.577 -8.537 0.60 72.62 ? 482 ILE B C 1 ? ? +8253 ATOM O O A ILE B 2 481 ? 14.477 -62.092 -7.898 0.40 72.12 ? 482 ILE B O 1 ? ? +8254 ATOM O O B ILE B 2 481 ? 14.520 -62.147 -7.957 0.60 72.51 ? 482 ILE B O 1 ? ? +8255 ATOM C CB A ILE B 2 481 ? 13.317 -62.765 -11.037 0.40 69.98 ? 482 ILE B CB 1 ? ? +8256 ATOM C CB B ILE B 2 481 ? 13.300 -62.750 -11.063 0.60 70.01 ? 482 ILE B CB 1 ? ? +8257 ATOM C CG1 A ILE B 2 481 ? 14.780 -63.219 -11.094 0.40 70.09 ? 482 ILE B CG1 1 ? ? +8258 ATOM C CG1 B ILE B 2 481 ? 14.764 -63.201 -11.155 0.60 70.19 ? 482 ILE B CG1 1 ? ? +8259 ATOM C CG2 A ILE B 2 481 ? 12.906 -62.035 -12.308 0.40 69.45 ? 482 ILE B CG2 1 ? ? +8260 ATOM C CG2 B ILE B 2 481 ? 12.868 -62.004 -12.320 0.60 69.42 ? 482 ILE B CG2 1 ? ? +8261 ATOM C CD1 A ILE B 2 481 ? 15.076 -64.171 -12.260 0.40 70.10 ? 482 ILE B CD1 1 ? ? +8262 ATOM C CD1 B ILE B 2 481 ? 15.003 -64.214 -12.253 0.60 70.23 ? 482 ILE B CD1 1 ? ? +8263 ATOM N N A ASP B 2 482 ? 12.833 -63.625 -8.115 0.40 75.20 ? 483 ASP B N 1 ? ? +8264 ATOM N N B ASP B 2 482 ? 12.832 -63.641 -8.127 0.60 76.12 ? 483 ASP B N 1 ? ? +8265 ATOM C CA A ASP B 2 482 ? 13.144 -64.331 -6.886 0.40 78.00 ? 483 ASP B CA 1 ? ? +8266 ATOM C CA B ASP B 2 482 ? 13.145 -64.340 -6.893 0.60 79.38 ? 483 ASP B CA 1 ? ? +8267 ATOM C C A ASP B 2 482 ? 14.576 -64.854 -6.933 0.40 79.39 ? 483 ASP B C 1 ? ? +8268 ATOM C C B ASP B 2 482 ? 14.585 -64.850 -6.921 0.60 80.48 ? 483 ASP B C 1 ? ? +8269 ATOM O O A ASP B 2 482 ? 14.944 -65.585 -7.849 0.40 79.68 ? 483 ASP B O 1 ? ? +8270 ATOM O O B ASP B 2 482 ? 14.977 -65.560 -7.849 0.60 80.93 ? 483 ASP B O 1 ? ? +8271 ATOM C CB A ASP B 2 482 ? 12.159 -65.487 -6.678 0.40 79.74 ? 483 ASP B CB 1 ? ? +8272 ATOM C CB B ASP B 2 482 ? 12.168 -65.499 -6.663 0.60 81.80 ? 483 ASP B CB 1 ? ? +8273 ATOM C CG A ASP B 2 482 ? 12.345 -66.206 -5.366 0.40 81.83 ? 483 ASP B CG 1 ? ? +8274 ATOM C CG B ASP B 2 482 ? 12.362 -66.174 -5.325 0.60 84.74 ? 483 ASP B CG 1 ? ? +8275 ATOM O OD1 A ASP B 2 482 ? 12.282 -65.537 -4.312 0.40 83.45 ? 483 ASP B OD1 1 ? ? +8276 ATOM O OD1 B ASP B 2 482 ? 12.339 -65.462 -4.297 0.60 87.36 ? 483 ASP B OD1 1 ? ? +8277 ATOM O OD2 A ASP B 2 482 ? 12.544 -67.440 -5.390 0.40 83.19 ? 483 ASP B OD2 1 ? ? +8278 ATOM O OD2 B ASP B 2 482 ? 12.542 -67.416 -5.305 0.60 86.53 ? 483 ASP B OD2 1 ? ? +8279 ATOM N N A PRO B 2 483 ? 15.430 -64.492 -5.950 0.40 81.07 ? 484 PRO B N 1 ? ? +8280 ATOM N N B PRO B 2 483 ? 15.419 -64.500 -5.913 0.60 81.79 ? 484 PRO B N 1 ? ? +8281 ATOM C CA A PRO B 2 483 ? 16.813 -64.970 -5.923 0.40 82.30 ? 484 PRO B CA 1 ? ? +8282 ATOM C CA B PRO B 2 483 ? 16.808 -64.960 -5.886 0.60 82.70 ? 484 PRO B CA 1 ? ? +8283 ATOM C C A PRO B 2 483 ? 16.925 -66.491 -5.844 0.40 84.86 ? 484 PRO B C 1 ? ? +8284 ATOM C C B PRO B 2 483 ? 16.914 -66.483 -5.855 0.60 85.00 ? 484 PRO B C 1 ? ? +8285 ATOM O O A PRO B 2 483 ? 17.931 -67.058 -6.265 0.40 84.63 ? 484 PRO B O 1 ? ? +8286 ATOM O O B PRO B 2 483 ? 17.894 -67.042 -6.340 0.60 84.46 ? 484 PRO B O 1 ? ? +8287 ATOM C CB A PRO B 2 483 ? 17.396 -64.300 -4.674 0.40 81.90 ? 484 PRO B CB 1 ? ? +8288 ATOM C CB B PRO B 2 483 ? 17.375 -64.311 -4.615 0.60 82.30 ? 484 PRO B CB 1 ? ? +8289 ATOM C CG A PRO B 2 483 ? 16.470 -63.151 -4.372 0.40 81.33 ? 484 PRO B CG 1 ? ? +8290 ATOM C CG B PRO B 2 483 ? 16.433 -63.186 -4.289 0.60 81.90 ? 484 PRO B CG 1 ? ? +8291 ATOM C CD A PRO B 2 483 ? 15.113 -63.592 -4.830 0.40 81.23 ? 484 PRO B CD 1 ? ? +8292 ATOM C CD B PRO B 2 483 ? 15.081 -63.638 -4.768 0.60 81.86 ? 484 PRO B CD 1 ? ? +8293 ATOM N N . GLU B 2 484 ? 15.886 -67.135 -5.290 1.00 87.39 ? 485 GLU B N 1 ? ? +8294 ATOM C CA . GLU B 2 484 ? 15.828 -68.584 -5.172 1.00 91.62 ? 485 GLU B CA 1 ? ? +8295 ATOM C CB . GLU B 2 484 ? 15.191 -68.977 -3.802 1.00 95.20 ? 485 GLU B CB 1 ? ? +8296 ATOM C CG . GLU B 2 484 ? 15.661 -68.217 -2.571 1.00 97.59 ? 485 GLU B CG 1 ? ? +8297 ATOM C CD . GLU B 2 484 ? 17.125 -68.402 -2.212 1.00 100.48 ? 485 GLU B CD 1 ? ? +8298 ATOM O OE1 . GLU B 2 484 ? 17.810 -69.223 -2.866 1.00 101.11 ? 485 GLU B OE1 1 ? ? +8299 ATOM O OE2 . GLU B 2 484 ? 17.590 -67.716 -1.273 1.00 102.48 ? 485 GLU B OE2 1 ? ? +8300 ATOM C C . GLU B 2 484 ? 15.005 -69.287 -6.255 1.00 93.08 ? 485 GLU B C 1 ? ? +8301 ATOM O O . GLU B 2 484 ? 14.455 -70.351 -5.992 1.00 94.99 ? 485 GLU B O 1 ? ? +8302 ATOM N N A LEU B 2 485 ? 14.937 -68.707 -7.462 0.40 93.35 ? 486 LEU B N 1 ? ? +8303 ATOM N N B LEU B 2 485 ? 14.942 -68.709 -7.464 0.60 93.31 ? 486 LEU B N 1 ? ? +8304 ATOM C CA A LEU B 2 485 ? 14.150 -69.282 -8.542 0.40 93.60 ? 486 LEU B CA 1 ? ? +8305 ATOM C CA B LEU B 2 485 ? 14.136 -69.277 -8.532 0.60 93.30 ? 486 LEU B CA 1 ? ? +8306 ATOM C C A LEU B 2 485 ? 14.718 -70.654 -8.905 0.40 95.28 ? 486 LEU B C 1 ? ? +8307 ATOM C C B LEU B 2 485 ? 14.710 -70.646 -8.903 0.60 95.22 ? 486 LEU B C 1 ? ? +8308 ATOM O O A LEU B 2 485 ? 15.870 -70.771 -9.319 0.40 94.95 ? 486 LEU B O 1 ? ? +8309 ATOM O O B LEU B 2 485 ? 15.863 -70.750 -9.316 0.60 94.70 ? 486 LEU B O 1 ? ? +8310 ATOM C CB A LEU B 2 485 ? 14.145 -68.343 -9.762 0.40 92.50 ? 486 LEU B CB 1 ? ? +8311 ATOM C CB B LEU B 2 485 ? 14.101 -68.330 -9.747 0.60 91.98 ? 486 LEU B CB 1 ? ? +8312 ATOM C CG A LEU B 2 485 ? 12.956 -68.469 -10.714 0.40 92.05 ? 486 LEU B CG 1 ? ? +8313 ATOM C CG B LEU B 2 485 ? 12.891 -68.457 -10.683 0.60 91.28 ? 486 LEU B CG 1 ? ? +8314 ATOM C CD1 A LEU B 2 485 ? 11.671 -68.001 -10.051 0.40 92.09 ? 486 LEU B CD1 1 ? ? +8315 ATOM C CD1 B LEU B 2 485 ? 11.607 -67.967 -10.019 0.60 91.31 ? 486 LEU B CD1 1 ? ? +8316 ATOM C CD2 A LEU B 2 485 ? 13.195 -67.687 -11.990 0.40 91.24 ? 486 LEU B CD2 1 ? ? +8317 ATOM C CD2 B LEU B 2 485 ? 13.116 -67.686 -11.968 0.60 90.29 ? 486 LEU B CD2 1 ? ? +8318 ATOM N N . SER B 2 486 ? 13.897 -71.693 -8.711 1.00 96.71 ? 487 SER B N 1 ? ? +8319 ATOM C CA . SER B 2 486 ? 14.287 -73.060 -9.016 1.00 98.03 ? 487 SER B CA 1 ? ? +8320 ATOM C CB . SER B 2 486 ? 13.216 -74.043 -8.537 1.00 98.22 ? 487 SER B CB 1 ? ? +8321 ATOM O OG . SER B 2 486 ? 11.940 -73.702 -9.050 1.00 98.42 ? 487 SER B OG 1 ? ? +8322 ATOM C C . SER B 2 486 ? 14.531 -73.208 -10.519 1.00 98.73 ? 487 SER B C 1 ? ? +8323 ATOM O O . SER B 2 486 ? 13.621 -72.957 -11.315 1.00 101.09 ? 487 SER B O 1 ? ? +8324 ATOM N N . PRO B 2 487 ? 15.738 -73.646 -10.959 1.00 97.20 ? 488 PRO B N 1 ? ? +8325 ATOM C CA . PRO B 2 487 ? 16.002 -73.893 -12.382 1.00 97.44 ? 488 PRO B CA 1 ? ? +8326 ATOM C CB . PRO B 2 487 ? 17.447 -74.438 -12.398 1.00 96.80 ? 488 PRO B CB 1 ? ? +8327 ATOM C CG . PRO B 2 487 ? 18.048 -74.040 -11.100 1.00 97.33 ? 488 PRO B CG 1 ? ? +8328 ATOM C CD . PRO B 2 487 ? 16.899 -73.955 -10.111 1.00 97.55 ? 488 PRO B CD 1 ? ? +8329 ATOM C C . PRO B 2 487 ? 15.028 -74.876 -13.035 1.00 100.90 ? 488 PRO B C 1 ? ? +8330 ATOM O O . PRO B 2 487 ? 14.928 -74.921 -14.258 1.00 100.68 ? 488 PRO B O 1 ? ? +8331 ATOM N N . GLU B 2 488 ? 14.337 -75.677 -12.209 1.00 104.31 ? 489 GLU B N 1 ? ? +8332 ATOM C CA . GLU B 2 488 ? 13.315 -76.604 -12.670 1.00 104.21 ? 489 GLU B CA 1 ? ? +8333 ATOM C CB . GLU B 2 488 ? 12.983 -77.601 -11.552 1.00 109.37 ? 489 GLU B CB 1 ? ? +8334 ATOM C CG . GLU B 2 488 ? 14.155 -78.522 -11.222 1.00 112.77 ? 489 GLU B CG 1 ? ? +8335 ATOM C CD . GLU B 2 488 ? 13.951 -79.360 -9.976 1.00 116.28 ? 489 GLU B CD 1 ? ? +8336 ATOM O OE1 . GLU B 2 488 ? 12.802 -79.814 -9.768 1.00 118.38 ? 489 GLU B OE1 1 ? ? +8337 ATOM O OE2 . GLU B 2 488 ? 14.928 -79.574 -9.220 1.00 117.26 ? 489 GLU B OE2 1 ? ? +8338 ATOM C C . GLU B 2 488 ? 12.029 -75.933 -13.144 1.00 98.45 ? 489 GLU B C 1 ? ? +8339 ATOM O O . GLU B 2 488 ? 11.369 -76.454 -14.043 1.00 97.59 ? 489 GLU B O 1 ? ? +8340 ATOM N N . GLN B 2 489 ? 11.679 -74.791 -12.539 1.00 95.44 ? 490 GLN B N 1 ? ? +8341 ATOM C CA . GLN B 2 489 ? 10.486 -74.064 -12.949 1.00 94.95 ? 490 GLN B CA 1 ? ? +8342 ATOM C CB . GLN B 2 489 ? 10.159 -72.939 -11.951 1.00 97.56 ? 490 GLN B CB 1 ? ? +8343 ATOM C CG . GLN B 2 489 ? 8.924 -72.108 -12.349 1.00 98.92 ? 490 GLN B CG 1 ? ? +8344 ATOM C CD . GLN B 2 489 ? 8.603 -70.995 -11.395 1.00 100.58 ? 490 GLN B CD 1 ? ? +8345 ATOM O OE1 . GLN B 2 489 ? 9.445 -70.518 -10.615 1.00 104.19 ? 490 GLN B OE1 1 ? ? +8346 ATOM N NE2 . GLN B 2 489 ? 7.370 -70.526 -11.468 1.00 99.85 ? 490 GLN B NE2 1 ? ? +8347 ATOM C C . GLN B 2 489 ? 10.596 -73.471 -14.357 1.00 91.72 ? 490 GLN B C 1 ? ? +8348 ATOM O O . GLN B 2 489 ? 9.578 -73.320 -15.034 1.00 91.05 ? 490 GLN B O 1 ? ? +8349 ATOM N N A VAL B 2 490 ? 11.827 -73.141 -14.783 0.40 90.24 ? 491 VAL B N 1 ? ? +8350 ATOM N N B VAL B 2 490 ? 11.828 -73.140 -14.778 0.60 89.60 ? 491 VAL B N 1 ? ? +8351 ATOM C CA A VAL B 2 490 ? 12.057 -72.481 -16.062 0.40 87.99 ? 491 VAL B CA 1 ? ? +8352 ATOM C CA B VAL B 2 490 ? 12.069 -72.474 -16.050 0.60 86.77 ? 491 VAL B CA 1 ? ? +8353 ATOM C C A VAL B 2 490 ? 12.623 -73.405 -17.138 0.40 87.15 ? 491 VAL B C 1 ? ? +8354 ATOM C C B VAL B 2 490 ? 12.622 -73.402 -17.131 0.60 86.38 ? 491 VAL B C 1 ? ? +8355 ATOM O O A VAL B 2 490 ? 12.638 -73.043 -18.313 0.40 86.73 ? 491 VAL B O 1 ? ? +8356 ATOM O O B VAL B 2 490 ? 12.621 -73.041 -18.306 0.60 86.00 ? 491 VAL B O 1 ? ? +8357 ATOM C CB A VAL B 2 490 ? 12.989 -71.268 -15.898 0.40 87.08 ? 491 VAL B CB 1 ? ? +8358 ATOM C CB B VAL B 2 490 ? 13.010 -71.268 -15.854 0.60 85.01 ? 491 VAL B CB 1 ? ? +8359 ATOM C CG1 A VAL B 2 490 ? 12.415 -70.270 -14.900 0.40 86.90 ? 491 VAL B CG1 1 ? ? +8360 ATOM C CG1 B VAL B 2 490 ? 12.428 -70.277 -14.855 0.60 84.59 ? 491 VAL B CG1 1 ? ? +8361 ATOM C CG2 A VAL B 2 490 ? 14.394 -71.704 -15.504 0.40 87.20 ? 491 VAL B CG2 1 ? ? +8362 ATOM C CG2 B VAL B 2 490 ? 14.406 -71.709 -15.441 0.60 84.84 ? 491 VAL B CG2 1 ? ? +8363 ATOM N N . GLU B 2 491 ? 13.109 -74.583 -16.729 1.00 86.41 ? 492 GLU B N 1 ? ? +8364 ATOM C CA . GLU B 2 491 ? 13.535 -75.608 -17.670 1.00 86.79 ? 492 GLU B CA 1 ? ? +8365 ATOM C CB . GLU B 2 491 ? 14.639 -76.494 -17.080 1.00 89.53 ? 492 GLU B CB 1 ? ? +8366 ATOM C CG . GLU B 2 491 ? 16.014 -75.838 -17.155 1.00 90.71 ? 492 GLU B CG 1 ? ? +8367 ATOM C CD . GLU B 2 491 ? 17.101 -76.565 -16.386 1.00 93.36 ? 492 GLU B CD 1 ? ? +8368 ATOM O OE1 . GLU B 2 491 ? 17.284 -77.784 -16.613 1.00 94.13 ? 492 GLU B OE1 1 ? ? +8369 ATOM O OE2 . GLU B 2 491 ? 17.776 -75.909 -15.559 1.00 95.92 ? 492 GLU B OE2 1 ? ? +8370 ATOM C C . GLU B 2 491 ? 12.331 -76.440 -18.106 1.00 85.92 ? 492 GLU B C 1 ? ? +8371 ATOM O O . GLU B 2 491 ? 11.356 -76.551 -17.363 1.00 86.46 ? 492 GLU B O 1 ? ? +8372 ATOM N N A TRP B 2 492 ? 12.413 -76.997 -19.322 0.40 85.58 ? 493 TRP B N 1 ? ? +8373 ATOM N N B TRP B 2 492 ? 12.429 -77.026 -19.308 0.60 85.00 ? 493 TRP B N 1 ? ? +8374 ATOM C CA A TRP B 2 492 ? 11.295 -77.685 -19.949 0.40 85.17 ? 493 TRP B CA 1 ? ? +8375 ATOM C CA B TRP B 2 492 ? 11.309 -77.695 -19.949 0.60 84.07 ? 493 TRP B CA 1 ? ? +8376 ATOM C C A TRP B 2 492 ? 11.134 -79.120 -19.458 0.40 86.95 ? 493 TRP B C 1 ? ? +8377 ATOM C C B TRP B 2 492 ? 11.138 -79.126 -19.452 0.60 86.37 ? 493 TRP B C 1 ? ? +8378 ATOM O O A TRP B 2 492 ? 12.127 -79.807 -19.235 0.40 87.05 ? 493 TRP B O 1 ? ? +8379 ATOM O O B TRP B 2 492 ? 12.128 -79.815 -19.212 0.60 86.38 ? 493 TRP B O 1 ? ? +8380 ATOM C CB A TRP B 2 492 ? 11.463 -77.706 -21.472 0.40 84.04 ? 493 TRP B CB 1 ? ? +8381 ATOM C CB B TRP B 2 492 ? 11.475 -77.710 -21.479 0.60 82.30 ? 493 TRP B CB 1 ? ? +8382 ATOM C CG A TRP B 2 492 ? 11.261 -76.375 -22.131 0.40 82.35 ? 493 TRP B CG 1 ? ? +8383 ATOM C CG B TRP B 2 492 ? 11.275 -76.378 -22.128 0.60 79.90 ? 493 TRP B CG 1 ? ? +8384 ATOM C CD1 A TRP B 2 492 ? 10.160 -75.964 -22.818 0.40 81.81 ? 493 TRP B CD1 1 ? ? +8385 ATOM C CD1 B TRP B 2 492 ? 10.170 -75.955 -22.804 0.60 79.06 ? 493 TRP B CD1 1 ? ? +8386 ATOM C CD2 A TRP B 2 492 ? 12.197 -75.294 -22.187 0.40 81.30 ? 493 TRP B CD2 1 ? ? +8387 ATOM C CD2 B TRP B 2 492 ? 12.216 -75.303 -22.185 0.60 78.43 ? 493 TRP B CD2 1 ? ? +8388 ATOM N NE1 A TRP B 2 492 ? 10.345 -74.685 -23.285 0.40 80.90 ? 493 TRP B NE1 1 ? ? +8389 ATOM N NE1 B TRP B 2 492 ? 10.357 -74.676 -23.262 0.60 77.94 ? 493 TRP B NE1 1 ? ? +8390 ATOM C CE2 A TRP B 2 492 ? 11.589 -74.250 -22.912 0.40 80.50 ? 493 TRP B CE2 1 ? ? +8391 ATOM C CE2 B TRP B 2 492 ? 11.607 -74.251 -22.897 0.60 77.40 ? 493 TRP B CE2 1 ? ? +8392 ATOM C CE3 A TRP B 2 492 ? 13.491 -75.103 -21.692 0.40 81.32 ? 493 TRP B CE3 1 ? ? +8393 ATOM C CE3 B TRP B 2 492 ? 13.517 -75.124 -21.700 0.60 78.38 ? 493 TRP B CE3 1 ? ? +8394 ATOM C CZ2 A TRP B 2 492 ? 12.228 -73.036 -23.148 0.40 79.83 ? 493 TRP B CZ2 1 ? ? +8395 ATOM C CZ2 B TRP B 2 492 ? 12.251 -73.038 -23.130 0.60 76.48 ? 493 TRP B CZ2 1 ? ? +8396 ATOM C CZ3 A TRP B 2 492 ? 14.122 -73.899 -21.929 0.40 80.83 ? 493 TRP B CZ3 1 ? ? +8397 ATOM C CZ3 B TRP B 2 492 ? 14.156 -73.922 -21.937 0.60 77.79 ? 493 TRP B CZ3 1 ? ? +8398 ATOM C CH2 A TRP B 2 492 ? 13.492 -72.882 -22.649 0.40 80.07 ? 493 TRP B CH2 1 ? ? +8399 ATOM C CH2 B TRP B 2 492 ? 13.522 -72.894 -22.642 0.60 76.85 ? 493 TRP B CH2 1 ? ? +8400 ATOM N N . GLY B 2 493 ? 9.873 -79.551 -19.309 1.00 88.08 ? 494 GLY B N 1 ? ? +8401 ATOM C CA . GLY B 2 493 ? 9.550 -80.920 -18.937 1.00 89.68 ? 494 GLY B CA 1 ? ? +8402 ATOM C C . GLY B 2 493 ? 9.171 -81.163 -17.478 1.00 90.91 ? 494 GLY B C 1 ? ? +8403 ATOM O O . GLY B 2 493 ? 8.243 -81.927 -17.207 1.00 93.96 ? 494 GLY B O 1 ? ? +8404 ATOM N N . PHE B 2 494 ? 9.888 -80.524 -16.547 1.00 89.56 ? 495 PHE B N 1 ? ? +8405 ATOM C CA . PHE B 2 494 ? 9.703 -80.764 -15.124 1.00 89.35 ? 495 PHE B CA 1 ? ? +8406 ATOM C CB . PHE B 2 494 ? 10.603 -79.811 -14.326 1.00 89.65 ? 495 PHE B CB 1 ? ? +8407 ATOM C CG . PHE B 2 494 ? 12.057 -80.219 -14.407 1.00 91.81 ? 495 PHE B CG 1 ? ? +8408 ATOM C CD1 . PHE B 2 494 ? 12.523 -81.330 -13.712 1.00 92.47 ? 495 PHE B CD1 1 ? ? +8409 ATOM C CD2 . PHE B 2 494 ? 12.945 -79.542 -15.239 1.00 92.20 ? 495 PHE B CD2 1 ? ? +8410 ATOM C CE1 . PHE B 2 494 ? 13.853 -81.725 -13.813 1.00 93.13 ? 495 PHE B CE1 1 ? ? +8411 ATOM C CE2 . PHE B 2 494 ? 14.276 -79.940 -15.335 1.00 92.17 ? 495 PHE B CE2 1 ? ? +8412 ATOM C CZ . PHE B 2 494 ? 14.722 -81.030 -14.625 1.00 92.74 ? 495 PHE B CZ 1 ? ? +8413 ATOM C C . PHE B 2 494 ? 8.247 -80.631 -14.685 1.00 88.06 ? 495 PHE B C 1 ? ? +8414 ATOM O O . PHE B 2 494 ? 7.739 -81.471 -13.943 1.00 88.58 ? 495 PHE B O 1 ? ? +8415 ATOM N N . TYR B 2 495 ? 7.599 -79.558 -15.147 1.00 86.45 ? 496 TYR B N 1 ? ? +8416 ATOM C CA . TYR B 2 495 ? 6.194 -79.308 -14.878 1.00 86.80 ? 496 TYR B CA 1 ? ? +8417 ATOM C CB . TYR B 2 495 ? 5.998 -77.862 -14.358 1.00 87.23 ? 496 TYR B CB 1 ? ? +8418 ATOM C CG . TYR B 2 495 ? 6.745 -77.507 -13.076 1.00 88.19 ? 496 TYR B CG 1 ? ? +8419 ATOM C CD1 . TYR B 2 495 ? 7.264 -78.495 -12.247 1.00 89.64 ? 496 TYR B CD1 1 ? ? +8420 ATOM C CD2 . TYR B 2 495 ? 6.934 -76.182 -12.700 1.00 88.51 ? 496 TYR B CD2 1 ? ? +8421 ATOM C CE1 . TYR B 2 495 ? 7.952 -78.176 -11.081 1.00 90.72 ? 496 TYR B CE1 1 ? ? +8422 ATOM C CE2 . TYR B 2 495 ? 7.626 -75.851 -11.537 1.00 89.41 ? 496 TYR B CE2 1 ? ? +8423 ATOM C CZ . TYR B 2 495 ? 8.129 -76.854 -10.727 1.00 90.74 ? 496 TYR B CZ 1 ? ? +8424 ATOM O OH . TYR B 2 495 ? 8.800 -76.546 -9.567 1.00 91.74 ? 496 TYR B OH 1 ? ? +8425 ATOM C C . TYR B 2 495 ? 5.390 -79.539 -16.155 1.00 85.06 ? 496 TYR B C 1 ? ? +8426 ATOM O O . TYR B 2 495 ? 5.830 -79.167 -17.241 1.00 85.02 ? 496 TYR B O 1 ? ? +8427 ATOM N N . GLN B 2 496 ? 4.214 -80.157 -16.018 1.00 83.85 ? 497 GLN B N 1 ? ? +8428 ATOM C CA . GLN B 2 496 ? 3.323 -80.361 -17.148 1.00 83.47 ? 497 GLN B CA 1 ? ? +8429 ATOM C CB . GLN B 2 496 ? 2.182 -81.315 -16.780 1.00 86.05 ? 497 GLN B CB 1 ? ? +8430 ATOM C CG . GLN B 2 496 ? 2.638 -82.698 -16.352 1.00 88.28 ? 497 GLN B CG 1 ? ? +8431 ATOM C CD . GLN B 2 496 ? 1.482 -83.514 -15.823 1.00 90.89 ? 497 GLN B CD 1 ? ? +8432 ATOM O OE1 . GLN B 2 496 ? 0.612 -83.966 -16.590 1.00 92.46 ? 497 GLN B OE1 1 ? ? +8433 ATOM N NE2 . GLN B 2 496 ? 1.439 -83.721 -14.497 1.00 91.85 ? 497 GLN B NE2 1 ? ? +8434 ATOM C C . GLN B 2 496 ? 2.749 -79.022 -17.603 1.00 80.96 ? 497 GLN B C 1 ? ? +8435 ATOM O O . GLN B 2 496 ? 2.751 -78.726 -18.794 1.00 81.03 ? 497 GLN B O 1 ? ? +8436 ATOM N N . LYS B 2 497 ? 2.250 -78.238 -16.637 1.00 78.71 ? 498 LYS B N 1 ? ? +8437 ATOM C CA . LYS B 2 497 ? 1.733 -76.900 -16.866 1.00 76.32 ? 498 LYS B CA 1 ? ? +8438 ATOM C CB . LYS B 2 497 ? 0.420 -76.709 -16.092 1.00 75.79 ? 498 LYS B CB 1 ? ? +8439 ATOM C CG . LYS B 2 497 ? -0.278 -75.378 -16.346 1.00 74.70 ? 498 LYS B CG 1 ? ? +8440 ATOM C CD . LYS B 2 497 ? -1.558 -75.219 -15.535 1.00 75.15 ? 498 LYS B CD 1 ? ? +8441 ATOM C CE . LYS B 2 497 ? -2.272 -73.918 -15.833 1.00 74.39 ? 498 LYS B CE 1 ? ? +8442 ATOM N NZ . LYS B 2 497 ? -3.545 -73.782 -15.061 1.00 74.52 ? 498 LYS B NZ 1 ? ? +8443 ATOM C C . LYS B 2 497 ? 2.786 -75.874 -16.446 1.00 75.32 ? 498 LYS B C 1 ? ? +8444 ATOM O O . LYS B 2 497 ? 3.315 -75.937 -15.335 1.00 74.61 ? 498 LYS B O 1 ? ? +8445 ATOM N N . VAL B 2 498 ? 3.072 -74.924 -17.349 1.00 74.51 ? 499 VAL B N 1 ? ? +8446 ATOM C CA . VAL B 2 498 ? 4.096 -73.917 -17.136 1.00 73.87 ? 499 VAL B CA 1 ? ? +8447 ATOM C CB . VAL B 2 498 ? 4.281 -73.025 -18.388 1.00 73.21 ? 499 VAL B CB 1 ? ? +8448 ATOM C CG1 . VAL B 2 498 ? 5.258 -71.885 -18.126 1.00 72.55 ? 499 VAL B CG1 1 ? ? +8449 ATOM C CG2 . VAL B 2 498 ? 4.742 -73.839 -19.592 1.00 73.73 ? 499 VAL B CG2 1 ? ? +8450 ATOM C C . VAL B 2 498 ? 3.754 -73.076 -15.912 1.00 74.42 ? 499 VAL B C 1 ? ? +8451 ATOM O O . VAL B 2 498 ? 2.653 -72.544 -15.817 1.00 73.75 ? 499 VAL B O 1 ? ? +8452 ATOM N N . GLY B 2 499 ? 4.708 -72.982 -14.976 1.00 75.79 ? 500 GLY B N 1 ? ? +8453 ATOM C CA . GLY B 2 499 ? 4.563 -72.162 -13.784 1.00 76.57 ? 500 GLY B CA 1 ? ? +8454 ATOM C C . GLY B 2 499 ? 3.808 -72.812 -12.623 1.00 78.59 ? 500 GLY B C 1 ? ? +8455 ATOM O O . GLY B 2 499 ? 3.765 -72.258 -11.527 1.00 79.93 ? 500 GLY B O 1 ? ? +8456 ATOM N N . ASP B 2 500 ? 3.200 -73.976 -12.870 1.00 79.31 ? 501 ASP B N 1 ? ? +8457 ATOM C CA . ASP B 2 500 ? 2.399 -74.648 -11.862 1.00 80.30 ? 501 ASP B CA 1 ? ? +8458 ATOM C CB . ASP B 2 500 ? 1.085 -75.134 -12.486 1.00 81.24 ? 501 ASP B CB 1 ? ? +8459 ATOM C CG . ASP B 2 500 ? 0.010 -75.558 -11.513 1.00 82.70 ? 501 ASP B CG 1 ? ? +8460 ATOM O OD1 . ASP B 2 500 ? 0.354 -75.981 -10.389 1.00 82.59 ? 501 ASP B OD1 1 ? ? +8461 ATOM O OD2 . ASP B 2 500 ? -1.177 -75.452 -11.869 1.00 84.80 ? 501 ASP B OD2 1 ? ? +8462 ATOM C C . ASP B 2 500 ? 3.205 -75.795 -11.255 1.00 81.23 ? 501 ASP B C 1 ? ? +8463 ATOM O O . ASP B 2 500 ? 3.446 -76.805 -11.909 1.00 81.11 ? 501 ASP B O 1 ? ? +8464 ATOM N N . VAL B 2 501 ? 3.607 -75.631 -9.989 1.00 81.61 ? 502 VAL B N 1 ? ? +8465 ATOM C CA . VAL B 2 501 ? 4.488 -76.585 -9.327 1.00 81.92 ? 502 VAL B CA 1 ? ? +8466 ATOM C CB . VAL B 2 501 ? 5.339 -75.901 -8.193 1.00 82.15 ? 502 VAL B CB 1 ? ? +8467 ATOM C CG1 . VAL B 2 501 ? 4.507 -75.024 -7.262 1.00 82.26 ? 502 VAL B CG1 1 ? ? +8468 ATOM C CG2 . VAL B 2 501 ? 6.160 -76.911 -7.391 1.00 82.72 ? 502 VAL B CG2 1 ? ? +8469 ATOM C C . VAL B 2 501 ? 3.734 -77.832 -8.861 1.00 82.44 ? 502 VAL B C 1 ? ? +8470 ATOM O O . VAL B 2 501 ? 4.358 -78.864 -8.637 1.00 82.73 ? 502 VAL B O 1 ? ? +8471 ATOM N N . THR B 2 502 ? 2.395 -77.767 -8.783 1.00 82.79 ? 503 THR B N 1 ? ? +8472 ATOM C CA . THR B 2 502 ? 1.582 -78.928 -8.429 1.00 83.54 ? 503 THR B CA 1 ? ? +8473 ATOM C CB . THR B 2 502 ? 0.149 -78.510 -7.961 1.00 83.36 ? 503 THR B CB 1 ? ? +8474 ATOM O OG1 . THR B 2 502 ? -0.624 -78.072 -9.078 1.00 82.86 ? 503 THR B OG1 1 ? ? +8475 ATOM C CG2 . THR B 2 502 ? 0.159 -77.413 -6.890 1.00 82.51 ? 503 THR B CG2 1 ? ? +8476 ATOM C C . THR B 2 502 ? 1.451 -79.953 -9.559 1.00 84.16 ? 503 THR B C 1 ? ? +8477 ATOM O O . THR B 2 502 ? 0.784 -80.968 -9.386 1.00 85.30 ? 503 THR B O 1 ? ? +8478 ATOM N N . THR B 2 503 ? 2.081 -79.684 -10.713 1.00 84.73 ? 504 THR B N 1 ? ? +8479 ATOM C CA . THR B 2 503 ? 2.007 -80.553 -11.878 1.00 85.93 ? 504 THR B CA 1 ? ? +8480 ATOM C CB . THR B 2 503 ? 1.420 -79.772 -13.074 1.00 84.91 ? 504 THR B CB 1 ? ? +8481 ATOM O OG1 . THR B 2 503 ? 2.330 -78.739 -13.415 1.00 83.10 ? 504 THR B OG1 1 ? ? +8482 ATOM C CG2 . THR B 2 503 ? 0.076 -79.122 -12.777 1.00 84.87 ? 504 THR B CG2 1 ? ? +8483 ATOM C C . THR B 2 503 ? 3.368 -81.125 -12.273 1.00 88.06 ? 504 THR B C 1 ? ? +8484 ATOM O O . THR B 2 503 ? 3.640 -81.301 -13.458 1.00 88.41 ? 504 THR B O 1 ? ? +8485 ATOM N N . ARG B 2 504 ? 4.224 -81.411 -11.281 1.00 90.98 ? 505 ARG B N 1 ? ? +8486 ATOM C CA . ARG B 2 504 ? 5.523 -82.008 -11.541 1.00 93.49 ? 505 ARG B CA 1 ? ? +8487 ATOM C CB . ARG B 2 504 ? 6.448 -81.878 -10.307 1.00 96.81 ? 505 ARG B CB 1 ? ? +8488 ATOM C CG . ARG B 2 504 ? 7.930 -82.276 -10.553 1.00 99.67 ? 505 ARG B CG 1 ? ? +8489 ATOM C CD . ARG B 2 504 ? 8.368 -83.565 -9.829 1.00 103.31 ? 505 ARG B CD 1 ? ? +8490 ATOM N NE . ARG B 2 504 ? 7.624 -84.765 -10.217 1.00 106.56 ? 505 ARG B NE 1 ? ? +8491 ATOM C CZ . ARG B 2 504 ? 7.772 -85.430 -11.362 1.00 107.61 ? 505 ARG B CZ 1 ? ? +8492 ATOM N NH1 . ARG B 2 504 ? 8.573 -84.992 -12.322 1.00 107.79 ? 505 ARG B NH1 1 ? ? +8493 ATOM N NH2 . ARG B 2 504 ? 7.082 -86.552 -11.555 1.00 107.74 ? 505 ARG B NH2 1 ? ? +8494 ATOM C C . ARG B 2 504 ? 5.341 -83.474 -11.961 1.00 93.86 ? 505 ARG B C 1 ? ? +8495 ATOM O O . ARG B 2 504 ? 5.830 -83.884 -13.011 1.00 93.49 ? 505 ARG B O 1 ? ? +8496 ATOM O OXT . ARG B 2 504 ? 4.696 -84.243 -11.258 1.00 94.80 ? 505 ARG B OXT 1 ? ? +8497 ATOM N N . ALA C 3 1 ? 43.420 -90.694 -36.167 1.00 100.99 ? 23 ALA C N 1 ? ? +8498 ATOM C CA . ALA C 3 1 ? 42.823 -89.372 -36.352 1.00 100.77 ? 23 ALA C CA 1 ? ? +8499 ATOM C CB . ALA C 3 1 ? 41.338 -89.378 -35.960 1.00 100.84 ? 23 ALA C CB 1 ? ? +8500 ATOM C C . ALA C 3 1 ? 43.606 -88.334 -35.548 1.00 99.69 ? 23 ALA C C 1 ? ? +8501 ATOM O O . ALA C 3 1 ? 43.074 -87.684 -34.645 1.00 99.89 ? 23 ALA C O 1 ? ? +8502 ATOM N N . THR C 3 2 ? 44.882 -88.182 -35.913 1.00 98.15 ? 24 THR C N 1 ? ? +8503 ATOM C CA . THR C 3 2 ? 45.762 -87.207 -35.286 1.00 95.90 ? 24 THR C CA 1 ? ? +8504 ATOM C CB . THR C 3 2 ? 47.154 -87.319 -35.873 1.00 95.70 ? 24 THR C CB 1 ? ? +8505 ATOM O OG1 . THR C 3 2 ? 47.762 -88.456 -35.288 1.00 97.17 ? 24 THR C OG1 1 ? ? +8506 ATOM C CG2 . THR C 3 2 ? 48.025 -86.071 -35.624 1.00 94.86 ? 24 THR C CG2 1 ? ? +8507 ATOM C C . THR C 3 2 ? 45.254 -85.779 -35.436 1.00 92.69 ? 24 THR C C 1 ? ? +8508 ATOM O O . THR C 3 2 ? 45.321 -85.211 -36.524 1.00 91.15 ? 24 THR C O 1 ? ? +8509 ATOM N N . ASN C 3 3 ? 44.751 -85.231 -34.323 1.00 90.90 ? 25 ASN C N 1 ? ? +8510 ATOM C CA . ASN C 3 3 ? 44.398 -83.826 -34.207 1.00 89.04 ? 25 ASN C CA 1 ? ? +8511 ATOM C CB . ASN C 3 3 ? 45.594 -82.946 -34.651 1.00 89.49 ? 25 ASN C CB 1 ? ? +8512 ATOM C CG . ASN C 3 3 ? 45.820 -81.749 -33.751 1.00 90.10 ? 25 ASN C CG 1 ? ? +8513 ATOM O OD1 . ASN C 3 3 ? 45.870 -81.892 -32.518 1.00 91.74 ? 25 ASN C OD1 1 ? ? +8514 ATOM N ND2 . ASN C 3 3 ? 45.961 -80.548 -34.325 1.00 89.29 ? 25 ASN C ND2 1 ? ? +8515 ATOM C C . ASN C 3 3 ? 43.122 -83.475 -34.977 1.00 85.83 ? 25 ASN C C 1 ? ? +8516 ATOM O O . ASN C 3 3 ? 42.877 -82.306 -35.257 1.00 84.67 ? 25 ASN C O 1 ? ? +8517 ATOM N N . ARG C 3 4 ? 42.308 -84.491 -35.296 1.00 84.34 ? 26 ARG C N 1 ? ? +8518 ATOM C CA . ARG C 3 4 ? 41.144 -84.301 -36.152 1.00 83.64 ? 26 ARG C CA 1 ? ? +8519 ATOM C CB . ARG C 3 4 ? 41.112 -85.407 -37.227 1.00 84.02 ? 26 ARG C CB 1 ? ? +8520 ATOM C CG . ARG C 3 4 ? 41.934 -85.006 -38.444 1.00 84.24 ? 26 ARG C CG 1 ? ? +8521 ATOM C CD . ARG C 3 4 ? 42.313 -86.173 -39.301 1.00 85.98 ? 26 ARG C CD 1 ? ? +8522 ATOM N NE . ARG C 3 4 ? 41.155 -86.902 -39.801 1.00 86.91 ? 26 ARG C NE 1 ? ? +8523 ATOM C CZ . ARG C 3 4 ? 41.192 -88.166 -40.201 1.00 88.26 ? 26 ARG C CZ 1 ? ? +8524 ATOM N NH1 . ARG C 3 4 ? 42.230 -88.944 -39.944 1.00 89.01 ? 26 ARG C NH1 1 ? ? +8525 ATOM N NH2 . ARG C 3 4 ? 40.166 -88.662 -40.882 1.00 89.10 ? 26 ARG C NH2 1 ? ? +8526 ATOM C C . ARG C 3 4 ? 39.803 -84.205 -35.418 1.00 81.91 ? 26 ARG C C 1 ? ? +8527 ATOM O O . ARG C 3 4 ? 38.766 -84.506 -36.006 1.00 80.08 ? 26 ARG C O 1 ? ? +8528 ATOM N N . ASP C 3 5 ? 39.845 -83.720 -34.166 1.00 81.01 ? 27 ASP C N 1 ? ? +8529 ATOM C CA . ASP C 3 5 ? 38.654 -83.342 -33.421 1.00 80.06 ? 27 ASP C CA 1 ? ? +8530 ATOM C CB . ASP C 3 5 ? 38.072 -84.557 -32.668 1.00 80.22 ? 27 ASP C CB 1 ? ? +8531 ATOM C CG . ASP C 3 5 ? 39.034 -85.296 -31.772 1.00 80.37 ? 27 ASP C CG 1 ? ? +8532 ATOM O OD1 . ASP C 3 5 ? 39.496 -84.704 -30.797 1.00 80.21 ? 27 ASP C OD1 1 ? ? +8533 ATOM O OD2 . ASP C 3 5 ? 39.310 -86.475 -32.042 1.00 81.21 ? 27 ASP C OD2 1 ? ? +8534 ATOM C C . ASP C 3 5 ? 38.988 -82.198 -32.464 1.00 79.65 ? 27 ASP C C 1 ? ? +8535 ATOM O O . ASP C 3 5 ? 40.155 -81.859 -32.284 1.00 80.56 ? 27 ASP C O 1 ? ? +8536 ATOM N N . GLN C 3 6 ? 37.957 -81.609 -31.850 1.00 78.74 ? 28 GLN C N 1 ? ? +8537 ATOM C CA . GLN C 3 6 ? 38.151 -80.479 -30.954 1.00 78.41 ? 28 GLN C CA 1 ? ? +8538 ATOM C CB . GLN C 3 6 ? 36.805 -79.810 -30.653 1.00 77.65 ? 28 GLN C CB 1 ? ? +8539 ATOM C CG . GLN C 3 6 ? 36.938 -78.595 -29.739 1.00 77.61 ? 28 GLN C CG 1 ? ? +8540 ATOM C CD . GLN C 3 6 ? 35.701 -77.760 -29.767 1.00 77.56 ? 28 GLN C CD 1 ? ? +8541 ATOM O OE1 . GLN C 3 6 ? 34.695 -78.148 -30.348 1.00 78.96 ? 28 GLN C OE1 1 ? ? +8542 ATOM N NE2 . GLN C 3 6 ? 35.737 -76.596 -29.148 1.00 77.37 ? 28 GLN C NE2 1 ? ? +8543 ATOM C C . GLN C 3 6 ? 38.839 -80.838 -29.636 1.00 78.69 ? 28 GLN C C 1 ? ? +8544 ATOM O O . GLN C 3 6 ? 39.505 -79.995 -29.042 1.00 78.04 ? 28 GLN C O 1 ? ? +8545 ATOM N N . GLU C 3 7 ? 38.674 -82.085 -29.184 1.00 79.25 ? 29 GLU C N 1 ? ? +8546 ATOM C CA . GLU C 3 7 ? 39.210 -82.498 -27.897 1.00 80.84 ? 29 GLU C CA 1 ? ? +8547 ATOM C CB . GLU C 3 7 ? 38.588 -83.845 -27.423 1.00 84.22 ? 29 GLU C CB 1 ? ? +8548 ATOM C CG . GLU C 3 7 ? 37.232 -84.250 -28.013 1.00 86.46 ? 29 GLU C CG 1 ? ? +8549 ATOM C CD . GLU C 3 7 ? 36.065 -83.280 -27.863 1.00 88.59 ? 29 GLU C CD 1 ? ? +8550 ATOM O OE1 . GLU C 3 7 ? 35.850 -82.782 -26.732 1.00 91.41 ? 29 GLU C OE1 1 ? ? +8551 ATOM O OE2 . GLU C 3 7 ? 35.346 -83.043 -28.867 1.00 88.45 ? 29 GLU C OE2 1 ? ? +8552 ATOM C C . GLU C 3 7 ? 40.741 -82.593 -27.980 1.00 80.06 ? 29 GLU C C 1 ? ? +8553 ATOM O O . GLU C 3 7 ? 41.447 -82.120 -27.090 1.00 79.93 ? 29 GLU C O 1 ? ? +8554 ATOM N N . SER C 3 8 ? 41.248 -83.182 -29.071 1.00 78.65 ? 30 SER C N 1 ? ? +8555 ATOM C CA . SER C 3 8 ? 42.676 -83.346 -29.283 1.00 78.09 ? 30 SER C CA 1 ? ? +8556 ATOM C CB . SER C 3 8 ? 42.938 -84.419 -30.335 1.00 78.55 ? 30 SER C CB 1 ? ? +8557 ATOM O OG . SER C 3 8 ? 42.065 -84.293 -31.446 1.00 78.10 ? 30 SER C OG 1 ? ? +8558 ATOM C C . SER C 3 8 ? 43.396 -82.060 -29.687 1.00 76.87 ? 30 SER C C 1 ? ? +8559 ATOM O O . SER C 3 8 ? 44.546 -81.859 -29.292 1.00 77.23 ? 30 SER C O 1 ? ? +8560 ATOM N N . SER C 3 9 ? 42.726 -81.210 -30.486 1.00 74.41 ? 31 SER C N 1 ? ? +8561 ATOM C CA . SER C 3 9 ? 43.376 -80.065 -31.109 1.00 72.70 ? 31 SER C CA 1 ? ? +8562 ATOM C CB . SER C 3 9 ? 42.936 -79.927 -32.564 1.00 72.09 ? 31 SER C CB 1 ? ? +8563 ATOM O OG . SER C 3 9 ? 41.586 -79.512 -32.662 1.00 71.53 ? 31 SER C OG 1 ? ? +8564 ATOM C C . SER C 3 9 ? 43.141 -78.737 -30.394 1.00 70.95 ? 31 SER C C 1 ? ? +8565 ATOM O O . SER C 3 9 ? 43.963 -77.834 -30.477 1.00 70.47 ? 31 SER C O 1 ? ? +8566 ATOM N N . GLY C 3 10 ? 41.998 -78.611 -29.719 1.00 70.08 ? 32 GLY C N 1 ? ? +8567 ATOM C CA . GLY C 3 10 ? 41.618 -77.364 -29.073 1.00 68.74 ? 32 GLY C CA 1 ? ? +8568 ATOM C C . GLY C 3 10 ? 40.783 -76.438 -29.955 1.00 67.34 ? 32 GLY C C 1 ? ? +8569 ATOM O O . GLY C 3 10 ? 40.211 -75.470 -29.460 1.00 67.08 ? 32 GLY C O 1 ? ? +8570 ATOM N N . PHE C 3 11 ? 40.694 -76.760 -31.253 1.00 66.47 ? 33 PHE C N 1 ? ? +8571 ATOM C CA . PHE C 3 11 ? 39.993 -75.937 -32.227 1.00 64.82 ? 33 PHE C CA 1 ? ? +8572 ATOM C CB . PHE C 3 11 ? 40.854 -75.697 -33.470 1.00 64.61 ? 33 PHE C CB 1 ? ? +8573 ATOM C CG . PHE C 3 11 ? 42.005 -74.761 -33.239 1.00 64.35 ? 33 PHE C CG 1 ? ? +8574 ATOM C CD1 . PHE C 3 11 ? 41.793 -73.405 -33.091 1.00 63.63 ? 33 PHE C CD1 1 ? ? +8575 ATOM C CD2 . PHE C 3 11 ? 43.303 -75.238 -33.147 1.00 64.85 ? 33 PHE C CD2 1 ? ? +8576 ATOM C CE1 . PHE C 3 11 ? 42.865 -72.545 -32.865 1.00 63.65 ? 33 PHE C CE1 1 ? ? +8577 ATOM C CE2 . PHE C 3 11 ? 44.367 -74.374 -32.918 1.00 64.69 ? 33 PHE C CE2 1 ? ? +8578 ATOM C CZ . PHE C 3 11 ? 44.148 -73.039 -32.781 1.00 64.03 ? 33 PHE C CZ 1 ? ? +8579 ATOM C C . PHE C 3 11 ? 38.712 -76.619 -32.673 1.00 64.22 ? 33 PHE C C 1 ? ? +8580 ATOM O O . PHE C 3 11 ? 38.729 -77.797 -32.997 1.00 64.69 ? 33 PHE C O 1 ? ? +8581 ATOM N N . ALA C 3 12 ? 37.617 -75.855 -32.733 1.00 63.44 ? 34 ALA C N 1 ? ? +8582 ATOM C CA . ALA C 3 12 ? 36.338 -76.373 -33.194 1.00 62.83 ? 34 ALA C CA 1 ? ? +8583 ATOM C CB . ALA C 3 12 ? 35.230 -75.438 -32.788 1.00 62.01 ? 34 ALA C CB 1 ? ? +8584 ATOM C C . ALA C 3 12 ? 36.364 -76.561 -34.710 1.00 62.53 ? 34 ALA C C 1 ? ? +8585 ATOM O O . ALA C 3 12 ? 37.230 -76.015 -35.394 1.00 62.59 ? 34 ALA C O 1 ? ? +8586 ATOM N N . TRP C 3 13 ? 35.395 -77.316 -35.237 1.00 62.33 ? 35 TRP C N 1 ? ? +8587 ATOM C CA . TRP C 3 13 ? 35.338 -77.599 -36.662 1.00 62.00 ? 35 TRP C CA 1 ? ? +8588 ATOM C CB . TRP C 3 13 ? 34.096 -78.444 -36.982 1.00 62.21 ? 35 TRP C CB 1 ? ? +8589 ATOM C CG . TRP C 3 13 ? 32.803 -77.711 -36.836 1.00 61.50 ? 35 TRP C CG 1 ? ? +8590 ATOM C CD1 . TRP C 3 13 ? 32.025 -77.652 -35.727 1.00 61.50 ? 35 TRP C CD1 1 ? ? +8591 ATOM N NE1 . TRP C 3 13 ? 30.906 -76.887 -35.972 1.00 60.93 ? 35 TRP C NE1 1 ? ? +8592 ATOM C CE2 . TRP C 3 13 ? 30.946 -76.440 -37.264 1.00 60.51 ? 35 TRP C CE2 1 ? ? +8593 ATOM C CZ2 . TRP C 3 13 ? 30.051 -75.641 -37.971 1.00 59.81 ? 35 TRP C CZ2 1 ? ? +8594 ATOM C CH2 . TRP C 3 13 ? 30.362 -75.343 -39.272 1.00 59.68 ? 35 TRP C CH2 1 ? ? +8595 ATOM C CZ3 . TRP C 3 13 ? 31.530 -75.824 -39.873 1.00 60.18 ? 35 TRP C CZ3 1 ? ? +8596 ATOM C CE3 . TRP C 3 13 ? 32.421 -76.619 -39.171 1.00 60.71 ? 35 TRP C CE3 1 ? ? +8597 ATOM C CD2 . TRP C 3 13 ? 32.133 -76.941 -37.841 1.00 60.90 ? 35 TRP C CD2 1 ? ? +8598 ATOM C C . TRP C 3 13 ? 35.337 -76.366 -37.567 1.00 60.99 ? 35 TRP C C 1 ? ? +8599 ATOM O O . TRP C 3 13 ? 35.892 -76.410 -38.663 1.00 61.07 ? 35 TRP C O 1 ? ? +8600 ATOM N N A TRP C 3 14 ? 34.703 -75.279 -37.107 0.40 60.20 ? 36 TRP C N 1 ? ? +8601 ATOM N N B TRP C 3 14 ? 34.701 -75.281 -37.108 0.60 60.21 ? 36 TRP C N 1 ? ? +8602 ATOM C CA A TRP C 3 14 ? 34.605 -74.061 -37.897 0.40 59.40 ? 36 TRP C CA 1 ? ? +8603 ATOM C CA B TRP C 3 14 ? 34.602 -74.061 -37.895 0.60 59.42 ? 36 TRP C CA 1 ? ? +8604 ATOM C C A TRP C 3 14 ? 35.919 -73.283 -37.940 0.40 59.25 ? 36 TRP C C 1 ? ? +8605 ATOM C C B TRP C 3 14 ? 35.920 -73.288 -37.944 0.60 59.24 ? 36 TRP C C 1 ? ? +8606 ATOM O O A TRP C 3 14 ? 36.048 -72.331 -38.705 0.40 58.77 ? 36 TRP C O 1 ? ? +8607 ATOM O O B TRP C 3 14 ? 36.055 -72.344 -38.719 0.60 58.76 ? 36 TRP C O 1 ? ? +8608 ATOM C CB A TRP C 3 14 ? 33.454 -73.173 -37.391 0.40 58.70 ? 36 TRP C CB 1 ? ? +8609 ATOM C CB B TRP C 3 14 ? 33.450 -73.170 -37.386 0.60 58.74 ? 36 TRP C CB 1 ? ? +8610 ATOM C CG A TRP C 3 14 ? 33.398 -73.015 -35.905 0.40 58.73 ? 36 TRP C CG 1 ? ? +8611 ATOM C CG B TRP C 3 14 ? 33.394 -73.006 -35.899 0.60 58.79 ? 36 TRP C CG 1 ? ? +8612 ATOM C CD1 A TRP C 3 14 ? 32.569 -73.670 -35.046 0.40 58.92 ? 36 TRP C CD1 1 ? ? +8613 ATOM C CD1 B TRP C 3 14 ? 32.567 -73.662 -35.038 0.60 59.01 ? 36 TRP C CD1 1 ? ? +8614 ATOM C CD2 A TRP C 3 14 ? 34.179 -72.118 -35.104 0.40 58.57 ? 36 TRP C CD2 1 ? ? +8615 ATOM C CD2 B TRP C 3 14 ? 34.180 -72.112 -35.098 0.60 58.68 ? 36 TRP C CD2 1 ? ? +8616 ATOM N NE1 A TRP C 3 14 ? 32.800 -73.255 -33.757 0.40 58.92 ? 36 TRP C NE1 1 ? ? +8617 ATOM N NE1 B TRP C 3 14 ? 32.801 -73.250 -33.750 0.60 59.02 ? 36 TRP C NE1 1 ? ? +8618 ATOM C CE2 A TRP C 3 14 ? 33.781 -72.298 -33.765 0.40 58.68 ? 36 TRP C CE2 1 ? ? +8619 ATOM C CE2 B TRP C 3 14 ? 33.783 -72.293 -33.758 0.60 58.80 ? 36 TRP C CE2 1 ? ? +8620 ATOM C CE3 A TRP C 3 14 ? 35.191 -71.194 -35.387 0.40 58.33 ? 36 TRP C CE3 1 ? ? +8621 ATOM C CE3 B TRP C 3 14 ? 35.196 -71.189 -35.381 0.60 58.45 ? 36 TRP C CE3 1 ? ? +8622 ATOM C CZ2 A TRP C 3 14 ? 34.359 -71.588 -32.714 0.40 58.60 ? 36 TRP C CZ2 1 ? ? +8623 ATOM C CZ2 B TRP C 3 14 ? 34.365 -71.587 -32.705 0.60 58.72 ? 36 TRP C CZ2 1 ? ? +8624 ATOM C CZ3 A TRP C 3 14 ? 35.756 -70.487 -34.345 0.40 58.25 ? 36 TRP C CZ3 1 ? ? +8625 ATOM C CZ3 B TRP C 3 14 ? 35.764 -70.483 -34.338 0.60 58.40 ? 36 TRP C CZ3 1 ? ? +8626 ATOM C CH2 A TRP C 3 14 ? 35.341 -70.687 -33.027 0.40 58.37 ? 36 TRP C CH2 1 ? ? +8627 ATOM C CH2 B TRP C 3 14 ? 35.349 -70.684 -33.019 0.60 58.50 ? 36 TRP C CH2 1 ? ? +8628 ATOM N N . ALA C 3 15 ? 36.883 -73.697 -37.110 1.00 59.70 ? 37 ALA C N 1 ? ? +8629 ATOM C CA . ALA C 3 15 ? 38.255 -73.225 -37.204 1.00 59.80 ? 37 ALA C CA 1 ? ? +8630 ATOM C CB . ALA C 3 15 ? 38.642 -72.472 -35.946 1.00 59.70 ? 37 ALA C CB 1 ? ? +8631 ATOM C C . ALA C 3 15 ? 39.166 -74.428 -37.442 1.00 60.46 ? 37 ALA C C 1 ? ? +8632 ATOM O O . ALA C 3 15 ? 40.287 -74.477 -36.949 1.00 60.76 ? 37 ALA C O 1 ? ? +8633 ATOM N N . GLY C 3 16 ? 38.659 -75.384 -38.226 1.00 60.54 ? 38 GLY C N 1 ? ? +8634 ATOM C CA . GLY C 3 16 ? 39.301 -76.670 -38.413 1.00 61.32 ? 38 GLY C CA 1 ? ? +8635 ATOM C C . GLY C 3 16 ? 40.688 -76.609 -39.040 1.00 61.59 ? 38 GLY C C 1 ? ? +8636 ATOM O O . GLY C 3 16 ? 41.549 -77.415 -38.702 1.00 62.19 ? 38 GLY C O 1 ? ? +8637 ATOM N N . ASN C 3 17 ? 40.890 -75.662 -39.961 1.00 61.13 ? 39 ASN C N 1 ? ? +8638 ATOM C CA . ASN C 3 17 ? 42.152 -75.579 -40.676 1.00 61.50 ? 39 ASN C CA 1 ? ? +8639 ATOM C CB . ASN C 3 17 ? 41.999 -74.701 -41.907 1.00 61.00 ? 39 ASN C CB 1 ? ? +8640 ATOM C CG . ASN C 3 17 ? 41.175 -75.367 -42.984 1.00 60.98 ? 39 ASN C CG 1 ? ? +8641 ATOM O OD1 . ASN C 3 17 ? 40.994 -76.572 -42.993 1.00 61.49 ? 39 ASN C OD1 1 ? ? +8642 ATOM N ND2 . ASN C 3 17 ? 40.689 -74.602 -43.937 1.00 60.45 ? 39 ASN C ND2 1 ? ? +8643 ATOM C C . ASN C 3 17 ? 43.296 -75.101 -39.784 1.00 61.75 ? 39 ASN C C 1 ? ? +8644 ATOM O O . ASN C 3 17 ? 44.458 -75.238 -40.150 1.00 62.19 ? 39 ASN C O 1 ? ? +8645 ATOM N N . ALA C 3 18 ? 42.958 -74.567 -38.603 1.00 61.51 ? 40 ALA C N 1 ? ? +8646 ATOM C CA . ALA C 3 18 ? 43.957 -74.199 -37.614 1.00 61.79 ? 40 ALA C CA 1 ? ? +8647 ATOM C CB . ALA C 3 18 ? 43.345 -73.291 -36.570 1.00 61.24 ? 40 ALA C CB 1 ? ? +8648 ATOM C C . ALA C 3 18 ? 44.572 -75.430 -36.955 1.00 62.70 ? 40 ALA C C 1 ? ? +8649 ATOM O O . ALA C 3 18 ? 45.596 -75.336 -36.288 1.00 63.14 ? 40 ALA C O 1 ? ? +8650 ATOM N N . ARG C 3 19 ? 43.942 -76.592 -37.159 1.00 63.11 ? 41 ARG C N 1 ? ? +8651 ATOM C CA . ARG C 3 19 ? 44.471 -77.859 -36.683 1.00 63.95 ? 41 ARG C CA 1 ? ? +8652 ATOM C CB . ARG C 3 19 ? 43.404 -78.952 -36.794 1.00 64.26 ? 41 ARG C CB 1 ? ? +8653 ATOM C CG . ARG C 3 19 ? 42.164 -78.674 -35.948 1.00 63.95 ? 41 ARG C CG 1 ? ? +8654 ATOM C CD . ARG C 3 19 ? 41.070 -79.666 -36.244 1.00 64.21 ? 41 ARG C CD 1 ? ? +8655 ATOM N NE . ARG C 3 19 ? 39.880 -79.417 -35.443 1.00 63.90 ? 41 ARG C NE 1 ? ? +8656 ATOM C CZ . ARG C 3 19 ? 38.750 -80.109 -35.529 1.00 64.01 ? 41 ARG C CZ 1 ? ? +8657 ATOM N NH1 . ARG C 3 19 ? 38.598 -81.083 -36.410 1.00 64.53 ? 41 ARG C NH1 1 ? ? +8658 ATOM N NH2 . ARG C 3 19 ? 37.747 -79.818 -34.709 1.00 63.68 ? 41 ARG C NH2 1 ? ? +8659 ATOM C C . ARG C 3 19 ? 45.708 -78.290 -37.457 1.00 64.36 ? 41 ARG C C 1 ? ? +8660 ATOM O O . ARG C 3 19 ? 46.382 -79.227 -37.049 1.00 65.10 ? 41 ARG C O 1 ? ? +8661 ATOM N N . LEU C 3 20 ? 45.988 -77.603 -38.571 1.00 63.95 ? 42 LEU C N 1 ? ? +8662 ATOM C CA . LEU C 3 20 ? 47.109 -77.919 -39.441 1.00 64.44 ? 42 LEU C CA 1 ? ? +8663 ATOM C CB . LEU C 3 20 ? 46.719 -77.613 -40.894 1.00 64.04 ? 42 LEU C CB 1 ? ? +8664 ATOM C CG . LEU C 3 20 ? 45.563 -78.389 -41.478 1.00 64.00 ? 42 LEU C CG 1 ? ? +8665 ATOM C CD1 . LEU C 3 20 ? 45.110 -77.779 -42.811 1.00 63.48 ? 42 LEU C CD1 1 ? ? +8666 ATOM C CD2 . LEU C 3 20 ? 45.929 -79.832 -41.664 1.00 64.83 ? 42 LEU C CD2 1 ? ? +8667 ATOM C C . LEU C 3 20 ? 48.380 -77.127 -39.140 1.00 64.58 ? 42 LEU C C 1 ? ? +8668 ATOM O O . LEU C 3 20 ? 49.375 -77.289 -39.836 1.00 64.92 ? 42 LEU C O 1 ? ? +8669 ATOM N N . ILE C 3 21 ? 48.348 -76.254 -38.132 1.00 64.29 ? 43 ILE C N 1 ? ? +8670 ATOM C CA . ILE C 3 21 ? 49.418 -75.291 -37.954 1.00 64.43 ? 43 ILE C CA 1 ? ? +8671 ATOM C CB . ILE C 3 21 ? 49.131 -74.305 -36.800 1.00 63.86 ? 43 ILE C CB 1 ? ? +8672 ATOM C CG1 . ILE C 3 21 ? 47.937 -73.406 -37.157 1.00 62.82 ? 43 ILE C CG1 1 ? ? +8673 ATOM C CG2 . ILE C 3 21 ? 50.382 -73.459 -36.456 1.00 64.01 ? 43 ILE C CG2 1 ? ? +8674 ATOM C CD1 . ILE C 3 21 ? 47.400 -72.607 -36.022 1.00 62.33 ? 43 ILE C CD1 1 ? ? +8675 ATOM C C . ILE C 3 21 ? 50.758 -75.999 -37.795 1.00 65.51 ? 43 ILE C C 1 ? ? +8676 ATOM O O . ILE C 3 21 ? 51.725 -75.596 -38.433 1.00 65.84 ? 43 ILE C O 1 ? ? +8677 ATOM N N . ASN C 3 22 ? 50.794 -77.065 -36.985 1.00 66.36 ? 44 ASN C N 1 ? ? +8678 ATOM C CA . ASN C 3 22 ? 52.026 -77.813 -36.756 1.00 67.48 ? 44 ASN C CA 1 ? ? +8679 ATOM C CB . ASN C 3 22 ? 52.292 -77.961 -35.257 1.00 67.91 ? 44 ASN C CB 1 ? ? +8680 ATOM C CG . ASN C 3 22 ? 52.262 -76.645 -34.530 1.00 67.53 ? 44 ASN C CG 1 ? ? +8681 ATOM O OD1 . ASN C 3 22 ? 51.521 -76.468 -33.560 1.00 67.43 ? 44 ASN C OD1 1 ? ? +8682 ATOM N ND2 . ASN C 3 22 ? 53.059 -75.679 -34.976 1.00 67.45 ? 44 ASN C ND2 1 ? ? +8683 ATOM C C . ASN C 3 22 ? 52.046 -79.198 -37.402 1.00 68.17 ? 44 ASN C C 1 ? ? +8684 ATOM O O . ASN C 3 22 ? 52.733 -80.090 -36.914 1.00 69.28 ? 44 ASN C O 1 ? ? +8685 ATOM N N . LEU C 3 23 ? 51.318 -79.357 -38.513 1.00 67.84 ? 45 LEU C N 1 ? ? +8686 ATOM C CA . LEU C 3 23 ? 51.336 -80.572 -39.307 1.00 68.40 ? 45 LEU C CA 1 ? ? +8687 ATOM C CB . LEU C 3 23 ? 49.937 -81.221 -39.320 1.00 68.16 ? 45 LEU C CB 1 ? ? +8688 ATOM C CG . LEU C 3 23 ? 49.340 -81.587 -37.943 1.00 68.27 ? 45 LEU C CG 1 ? ? +8689 ATOM C CD1 . LEU C 3 23 ? 48.047 -82.382 -38.081 1.00 68.11 ? 45 LEU C CD1 1 ? ? +8690 ATOM C CD2 . LEU C 3 23 ? 50.332 -82.385 -37.103 1.00 69.21 ? 45 LEU C CD2 1 ? ? +8691 ATOM C C . LEU C 3 23 ? 51.791 -80.222 -40.722 1.00 68.32 ? 45 LEU C C 1 ? ? +8692 ATOM O O . LEU C 3 23 ? 50.979 -80.110 -41.637 1.00 67.82 ? 45 LEU C O 1 ? ? +8693 ATOM N N . SER C 3 24 ? 53.105 -80.047 -40.889 1.00 68.82 ? 46 SER C N 1 ? ? +8694 ATOM C CA . SER C 3 24 ? 53.670 -79.540 -42.130 1.00 68.76 ? 46 SER C CA 1 ? ? +8695 ATOM C CB . SER C 3 24 ? 55.192 -79.496 -42.030 1.00 69.42 ? 46 SER C CB 1 ? ? +8696 ATOM O OG . SER C 3 24 ? 55.658 -80.582 -41.259 1.00 70.25 ? 46 SER C OG 1 ? ? +8697 ATOM C C . SER C 3 24 ? 53.249 -80.328 -43.370 1.00 68.89 ? 46 SER C C 1 ? ? +8698 ATOM O O . SER C 3 24 ? 52.998 -79.742 -44.425 1.00 68.47 ? 46 SER C O 1 ? ? +8699 ATOM N N . GLY C 3 25 ? 53.163 -81.657 -43.220 1.00 69.47 ? 47 GLY C N 1 ? ? +8700 ATOM C CA . GLY C 3 25 ? 52.828 -82.551 -44.316 1.00 69.59 ? 47 GLY C CA 1 ? ? +8701 ATOM C C . GLY C 3 25 ? 51.421 -82.330 -44.859 1.00 68.71 ? 47 GLY C C 1 ? ? +8702 ATOM O O . GLY C 3 25 ? 51.245 -82.114 -46.053 1.00 68.50 ? 47 GLY C O 1 ? ? +8703 ATOM N N . LYS C 3 26 ? 50.428 -82.384 -43.965 1.00 68.29 ? 48 LYS C N 1 ? ? +8704 ATOM C CA . LYS C 3 26 ? 49.048 -82.091 -44.323 1.00 67.45 ? 48 LYS C CA 1 ? ? +8705 ATOM C CB . LYS C 3 26 ? 48.111 -82.385 -43.148 1.00 67.42 ? 48 LYS C CB 1 ? ? +8706 ATOM C CG . LYS C 3 26 ? 47.924 -83.871 -42.902 1.00 68.36 ? 48 LYS C CG 1 ? ? +8707 ATOM C CD . LYS C 3 26 ? 46.576 -84.195 -42.273 1.00 68.29 ? 48 LYS C CD 1 ? ? +8708 ATOM C CE . LYS C 3 26 ? 46.440 -85.656 -41.934 1.00 69.26 ? 48 LYS C CE 1 ? ? +8709 ATOM N NZ . LYS C 3 26 ? 46.728 -86.556 -43.085 1.00 69.85 ? 48 LYS C NZ 1 ? ? +8710 ATOM C C . LYS C 3 26 ? 48.870 -80.644 -44.781 1.00 66.41 ? 48 LYS C C 1 ? ? +8711 ATOM O O . LYS C 3 26 ? 48.099 -80.372 -45.699 1.00 66.07 ? 48 LYS C O 1 ? ? +8712 ATOM N N . LEU C 3 27 ? 49.581 -79.721 -44.128 1.00 65.97 ? 49 LEU C N 1 ? ? +8713 ATOM C CA . LEU C 3 27 ? 49.525 -78.315 -44.491 1.00 64.99 ? 49 LEU C CA 1 ? ? +8714 ATOM C CB . LEU C 3 27 ? 50.325 -77.458 -43.484 1.00 64.96 ? 49 LEU C CB 1 ? ? +8715 ATOM C CG . LEU C 3 27 ? 50.217 -75.956 -43.692 1.00 64.20 ? 49 LEU C CG 1 ? ? +8716 ATOM C CD1 . LEU C 3 27 ? 48.752 -75.510 -43.749 1.00 63.35 ? 49 LEU C CD1 1 ? ? +8717 ATOM C CD2 . LEU C 3 27 ? 50.906 -75.197 -42.606 1.00 64.21 ? 49 LEU C CD2 1 ? ? +8718 ATOM C C . LEU C 3 27 ? 50.052 -78.095 -45.907 1.00 64.85 ? 49 LEU C C 1 ? ? +8719 ATOM O O . LEU C 3 27 ? 49.480 -77.315 -46.666 1.00 64.21 ? 49 LEU C O 1 ? ? +8720 ATOM N N . LEU C 3 28 ? 51.142 -78.789 -46.251 1.00 65.42 ? 50 LEU C N 1 ? ? +8721 ATOM C CA . LEU C 3 28 ? 51.666 -78.762 -47.604 1.00 65.45 ? 50 LEU C CA 1 ? ? +8722 ATOM C CB . LEU C 3 28 ? 52.916 -79.656 -47.730 1.00 66.40 ? 50 LEU C CB 1 ? ? +8723 ATOM C CG . LEU C 3 28 ? 53.424 -79.857 -49.144 1.00 66.73 ? 50 LEU C CG 1 ? ? +8724 ATOM C CD1 . LEU C 3 28 ? 53.918 -78.552 -49.741 1.00 66.33 ? 50 LEU C CD1 1 ? ? +8725 ATOM C CD2 . LEU C 3 28 ? 54.520 -80.889 -49.175 1.00 67.83 ? 50 LEU C CD2 1 ? ? +8726 ATOM C C . LEU C 3 28 ? 50.597 -79.226 -48.587 1.00 65.02 ? 50 LEU C C 1 ? ? +8727 ATOM O O . LEU C 3 28 ? 50.403 -78.610 -49.628 1.00 64.60 ? 50 LEU C O 1 ? ? +8728 ATOM N N . GLY C 3 29 ? 49.928 -80.331 -48.247 1.00 65.21 ? 51 GLY C N 1 ? ? +8729 ATOM C CA . GLY C 3 29 ? 48.821 -80.842 -49.040 1.00 64.98 ? 51 GLY C CA 1 ? ? +8730 ATOM C C . GLY C 3 29 ? 47.701 -79.826 -49.274 1.00 63.94 ? 51 GLY C C 1 ? ? +8731 ATOM O O . GLY C 3 29 ? 47.255 -79.644 -50.403 1.00 63.66 ? 51 GLY C O 1 ? ? +8732 ATOM N N . ALA C 3 30 ? 47.262 -79.160 -48.204 1.00 63.40 ? 52 ALA C N 1 ? ? +8733 ATOM C CA . ALA C 3 30 ? 46.235 -78.136 -48.311 1.00 62.59 ? 52 ALA C CA 1 ? ? +8734 ATOM C CB . ALA C 3 30 ? 45.946 -77.539 -46.946 1.00 62.20 ? 52 ALA C CB 1 ? ? +8735 ATOM C C . ALA C 3 30 ? 46.626 -77.035 -49.298 1.00 62.25 ? 52 ALA C C 1 ? ? +8736 ATOM O O . ALA C 3 30 ? 45.800 -76.582 -50.087 1.00 61.72 ? 52 ALA C O 1 ? ? +8737 ATOM N N . HIS C 3 31 ? 47.900 -76.621 -49.257 1.00 62.61 ? 53 HIS C N 1 ? ? +8738 ATOM C CA . HIS C 3 31 ? 48.396 -75.558 -50.116 1.00 62.31 ? 53 HIS C CA 1 ? ? +8739 ATOM C CB . HIS C 3 31 ? 49.770 -75.090 -49.628 1.00 62.71 ? 53 HIS C CB 1 ? ? +8740 ATOM C CG . HIS C 3 31 ? 49.691 -74.203 -48.425 1.00 62.32 ? 53 HIS C CG 1 ? ? +8741 ATOM N ND1 . HIS C 3 31 ? 50.043 -74.649 -47.176 1.00 62.74 ? 53 HIS C ND1 1 ? ? +8742 ATOM C CE1 . HIS C 3 31 ? 49.827 -73.631 -46.354 1.00 62.25 ? 53 HIS C CE1 1 ? ? +8743 ATOM N NE2 . HIS C 3 31 ? 49.354 -72.572 -47.011 1.00 61.49 ? 53 HIS C NE2 1 ? ? +8744 ATOM C CD2 . HIS C 3 31 ? 49.271 -72.924 -48.330 1.00 61.60 ? 53 HIS C CD2 1 ? ? +8745 ATOM C C . HIS C 3 31 ? 48.475 -75.967 -51.582 1.00 62.49 ? 53 HIS C C 1 ? ? +8746 ATOM O O . HIS C 3 31 ? 48.151 -75.179 -52.466 1.00 62.07 ? 53 HIS C O 1 ? ? +8747 ATOM N N . VAL C 3 32 ? 48.919 -77.202 -51.826 1.00 63.20 ? 54 VAL C N 1 ? ? +8748 ATOM C CA . VAL C 3 32 ? 49.117 -77.686 -53.181 1.00 63.53 ? 54 VAL C CA 1 ? ? +8749 ATOM C CB . VAL C 3 32 ? 50.064 -78.910 -53.216 1.00 64.51 ? 54 VAL C CB 1 ? ? +8750 ATOM C CG1 . VAL C 3 32 ? 50.202 -79.454 -54.632 1.00 64.91 ? 54 VAL C CG1 1 ? ? +8751 ATOM C CG2 . VAL C 3 32 ? 51.430 -78.569 -52.654 1.00 64.94 ? 54 VAL C CG2 1 ? ? +8752 ATOM C C . VAL C 3 32 ? 47.768 -77.984 -53.831 1.00 63.07 ? 54 VAL C C 1 ? ? +8753 ATOM O O . VAL C 3 32 ? 47.569 -77.679 -55.001 1.00 62.97 ? 54 VAL C O 1 ? ? +8754 ATOM N N . ALA C 3 33 ? 46.844 -78.571 -53.063 1.00 62.85 ? 55 ALA C N 1 ? ? +8755 ATOM C CA . ALA C 3 33 ? 45.486 -78.806 -53.532 1.00 62.41 ? 55 ALA C CA 1 ? ? +8756 ATOM C CB . ALA C 3 33 ? 44.674 -79.560 -52.488 1.00 62.39 ? 55 ALA C CB 1 ? ? +8757 ATOM C C . ALA C 3 33 ? 44.800 -77.492 -53.881 1.00 61.57 ? 55 ALA C C 1 ? ? +8758 ATOM O O . ALA C 3 33 ? 44.060 -77.417 -54.860 1.00 61.46 ? 55 ALA C O 1 ? ? +8759 ATOM N N . HIS C 3 34 ? 45.051 -76.463 -53.063 1.00 61.11 ? 56 HIS C N 1 ? ? +8760 ATOM C CA . HIS C 3 34 ? 44.484 -75.143 -53.276 1.00 60.22 ? 56 HIS C CA 1 ? ? +8761 ATOM C CB . HIS C 3 34 ? 44.697 -74.287 -52.048 1.00 59.80 ? 56 HIS C CB 1 ? ? +8762 ATOM C CG . HIS C 3 34 ? 44.136 -72.911 -52.196 1.00 58.95 ? 56 HIS C CG 1 ? ? +8763 ATOM N ND1 . HIS C 3 34 ? 44.907 -71.886 -52.645 1.00 58.84 ? 56 HIS C ND1 1 ? ? +8764 ATOM C CE1 . HIS C 3 34 ? 44.114 -70.819 -52.687 1.00 58.11 ? 56 HIS C CE1 1 ? ? +8765 ATOM N NE2 . HIS C 3 34 ? 42.878 -71.130 -52.311 1.00 57.73 ? 56 HIS C NE2 1 ? ? +8766 ATOM C CD2 . HIS C 3 34 ? 42.873 -72.459 -52.010 1.00 58.32 ? 56 HIS C CD2 1 ? ? +8767 ATOM C C . HIS C 3 34 ? 45.077 -74.452 -54.502 1.00 60.26 ? 56 HIS C C 1 ? ? +8768 ATOM O O . HIS C 3 34 ? 44.364 -73.833 -55.274 1.00 59.74 ? 56 HIS C O 1 ? ? +8769 ATOM N N . ALA C 3 35 ? 46.396 -74.554 -54.677 1.00 60.93 ? 57 ALA C N 1 ? ? +8770 ATOM C CA . ALA C 3 35 ? 47.051 -74.069 -55.884 1.00 61.13 ? 57 ALA C CA 1 ? ? +8771 ATOM C CB . ALA C 3 35 ? 48.556 -74.368 -55.848 1.00 61.83 ? 57 ALA C CB 1 ? ? +8772 ATOM C C . ALA C 3 35 ? 46.406 -74.704 -57.112 1.00 61.31 ? 57 ALA C C 1 ? ? +8773 ATOM O O . ALA C 3 35 ? 46.209 -74.038 -58.125 1.00 61.05 ? 57 ALA C O 1 ? ? +8774 ATOM N N . GLY C 3 36 ? 46.085 -75.998 -57.000 1.00 61.83 ? 58 GLY C N 1 ? ? +8775 ATOM C CA . GLY C 3 36 ? 45.371 -76.719 -58.038 1.00 62.08 ? 58 GLY C CA 1 ? ? +8776 ATOM C C . GLY C 3 36 ? 44.046 -76.063 -58.417 1.00 61.45 ? 58 GLY C C 1 ? ? +8777 ATOM O O . GLY C 3 36 ? 43.734 -75.945 -59.597 1.00 61.51 ? 58 GLY C O 1 ? ? +8778 ATOM N N . LEU C 3 37 ? 43.274 -75.644 -57.411 1.00 61.00 ? 59 LEU C N 1 ? ? +8779 ATOM C CA . LEU C 3 37 ? 42.015 -74.952 -57.646 1.00 60.43 ? 59 LEU C CA 1 ? ? +8780 ATOM C CB . LEU C 3 37 ? 41.325 -74.670 -56.314 1.00 59.96 ? 59 LEU C CB 1 ? ? +8781 ATOM C CG . LEU C 3 37 ? 40.702 -75.885 -55.652 1.00 60.32 ? 59 LEU C CG 1 ? ? +8782 ATOM C CD1 . LEU C 3 37 ? 40.233 -75.556 -54.257 1.00 59.93 ? 59 LEU C CD1 1 ? ? +8783 ATOM C CD2 . LEU C 3 37 ? 39.533 -76.434 -56.491 1.00 60.31 ? 59 LEU C CD2 1 ? ? +8784 ATOM C C . LEU C 3 37 ? 42.188 -73.635 -58.402 1.00 60.15 ? 59 LEU C C 1 ? ? +8785 ATOM O O . LEU C 3 37 ? 41.377 -73.294 -59.261 1.00 59.93 ? 59 LEU C O 1 ? ? +8786 ATOM N N . ILE C 3 38 ? 43.240 -72.883 -58.058 1.00 60.18 ? 60 ILE C N 1 ? ? +8787 ATOM C CA . ILE C 3 38 ? 43.508 -71.618 -58.719 1.00 59.85 ? 60 ILE C CA 1 ? ? +8788 ATOM C CB . ILE C 3 38 ? 44.700 -70.854 -58.078 1.00 60.02 ? 60 ILE C CB 1 ? ? +8789 ATOM C CG1 . ILE C 3 38 ? 44.383 -70.437 -56.639 1.00 59.68 ? 60 ILE C CG1 1 ? ? +8790 ATOM C CG2 . ILE C 3 38 ? 45.099 -69.626 -58.919 1.00 59.80 ? 60 ILE C CG2 1 ? ? +8791 ATOM C CD1 . ILE C 3 38 ? 45.595 -69.946 -55.871 1.00 59.95 ? 60 ILE C CD1 1 ? ? +8792 ATOM C C . ILE C 3 38 ? 43.744 -71.904 -60.197 1.00 60.09 ? 60 ILE C C 1 ? ? +8793 ATOM O O . ILE C 3 38 ? 43.111 -71.294 -61.054 1.00 59.84 ? 60 ILE C O 1 ? ? +8794 ATOM N N . VAL C 3 39 ? 44.647 -72.847 -60.471 1.00 60.61 ? 61 VAL C N 1 ? ? +8795 ATOM C CA . VAL C 3 39 ? 45.039 -73.180 -61.828 1.00 60.97 ? 61 VAL C CA 1 ? ? +8796 ATOM C CB . VAL C 3 39 ? 46.283 -74.091 -61.807 1.00 61.75 ? 61 VAL C CB 1 ? ? +8797 ATOM C CG1 . VAL C 3 39 ? 46.609 -74.604 -63.196 1.00 62.26 ? 61 VAL C CG1 1 ? ? +8798 ATOM C CG2 . VAL C 3 39 ? 47.477 -73.359 -61.204 1.00 61.82 ? 61 VAL C CG2 1 ? ? +8799 ATOM C C . VAL C 3 39 ? 43.875 -73.808 -62.590 1.00 60.90 ? 61 VAL C C 1 ? ? +8800 ATOM O O . VAL C 3 39 ? 43.708 -73.562 -63.782 1.00 60.93 ? 61 VAL C O 1 ? ? +8801 ATOM N N . PHE C 3 40 ? 43.072 -74.612 -61.884 1.00 60.82 ? 62 PHE C N 1 ? ? +8802 ATOM C CA . PHE C 3 40 ? 41.848 -75.164 -62.440 1.00 60.68 ? 62 PHE C CA 1 ? ? +8803 ATOM C CB . PHE C 3 40 ? 41.049 -75.938 -61.377 1.00 60.63 ? 62 PHE C CB 1 ? ? +8804 ATOM C CG . PHE C 3 40 ? 39.818 -76.600 -61.939 1.00 60.62 ? 62 PHE C CG 1 ? ? +8805 ATOM C CD1 . PHE C 3 40 ? 38.664 -75.867 -62.178 1.00 60.07 ? 62 PHE C CD1 1 ? ? +8806 ATOM C CD2 . PHE C 3 40 ? 39.826 -77.940 -62.268 1.00 61.26 ? 62 PHE C CD2 1 ? ? +8807 ATOM C CE1 . PHE C 3 40 ? 37.532 -76.473 -62.717 1.00 60.12 ? 62 PHE C CE1 1 ? ? +8808 ATOM C CE2 . PHE C 3 40 ? 38.695 -78.539 -62.809 1.00 61.40 ? 62 PHE C CE2 1 ? ? +8809 ATOM C CZ . PHE C 3 40 ? 37.553 -77.803 -63.029 1.00 60.75 ? 62 PHE C CZ 1 ? ? +8810 ATOM C C . PHE C 3 40 ? 40.980 -74.056 -63.023 1.00 59.96 ? 62 PHE C C 1 ? ? +8811 ATOM O O . PHE C 3 40 ? 40.619 -74.100 -64.196 1.00 60.05 ? 62 PHE C O 1 ? ? +8812 ATOM N N . TRP C 3 41 ? 40.652 -73.072 -62.179 1.00 59.34 ? 63 TRP C N 1 ? ? +8813 ATOM C CA . TRP C 3 41 ? 39.769 -71.985 -62.564 1.00 58.70 ? 63 TRP C CA 1 ? ? +8814 ATOM C CB . TRP C 3 41 ? 39.595 -71.001 -61.417 1.00 58.09 ? 63 TRP C CB 1 ? ? +8815 ATOM C CG . TRP C 3 41 ? 38.692 -69.860 -61.762 1.00 57.46 ? 63 TRP C CG 1 ? ? +8816 ATOM C CD1 . TRP C 3 41 ? 37.327 -69.853 -61.750 1.00 57.09 ? 63 TRP C CD1 1 ? ? +8817 ATOM N NE1 . TRP C 3 41 ? 36.860 -68.622 -62.147 1.00 56.62 ? 63 TRP C NE1 1 ? ? +8818 ATOM C CE2 . TRP C 3 41 ? 37.931 -67.817 -62.446 1.00 56.65 ? 63 TRP C CE2 1 ? ? +8819 ATOM C CZ2 . TRP C 3 41 ? 37.975 -66.498 -62.889 1.00 56.26 ? 63 TRP C CZ2 1 ? ? +8820 ATOM C CH2 . TRP C 3 41 ? 39.214 -65.951 -63.115 1.00 56.43 ? 63 TRP C CH2 1 ? ? +8821 ATOM C CZ3 . TRP C 3 41 ? 40.385 -66.677 -62.909 1.00 56.92 ? 63 TRP C CZ3 1 ? ? +8822 ATOM C CE3 . TRP C 3 41 ? 40.345 -67.973 -62.457 1.00 57.31 ? 63 TRP C CE3 1 ? ? +8823 ATOM C CD2 . TRP C 3 41 ? 39.100 -68.570 -62.220 1.00 57.16 ? 63 TRP C CD2 1 ? ? +8824 ATOM C C . TRP C 3 41 ? 40.282 -71.244 -63.794 1.00 58.78 ? 63 TRP C C 1 ? ? +8825 ATOM O O . TRP C 3 41 ? 39.519 -70.994 -64.725 1.00 58.68 ? 63 TRP C O 1 ? ? +8826 ATOM N N . ALA C 3 42 ? 41.574 -70.891 -63.771 1.00 59.03 ? 64 ALA C N 1 ? ? +8827 ATOM C CA . ALA C 3 42 ? 42.208 -70.169 -64.861 1.00 59.09 ? 64 ALA C CA 1 ? ? +8828 ATOM C CB . ALA C 3 42 ? 43.685 -69.969 -64.579 1.00 59.52 ? 64 ALA C CB 1 ? ? +8829 ATOM C C . ALA C 3 42 ? 42.021 -70.915 -66.174 1.00 59.50 ? 64 ALA C C 1 ? ? +8830 ATOM O O . ALA C 3 42 ? 41.677 -70.310 -67.188 1.00 59.40 ? 64 ALA C O 1 ? ? +8831 ATOM N N . GLY C 3 43 ? 42.243 -72.233 -66.132 1.00 60.04 ? 65 GLY C N 1 ? ? +8832 ATOM C CA . GLY C 3 43 ? 42.034 -73.090 -67.286 1.00 60.56 ? 65 GLY C CA 1 ? ? +8833 ATOM C C . GLY C 3 43 ? 40.568 -73.200 -67.709 1.00 60.22 ? 65 GLY C C 1 ? ? +8834 ATOM O O . GLY C 3 43 ? 40.213 -72.906 -68.850 1.00 60.21 ? 65 GLY C O 1 ? ? +8835 ATOM N N . ALA C 3 44 ? 39.717 -73.621 -66.771 1.00 59.99 ? 66 ALA C N 1 ? ? +8836 ATOM C CA . ALA C 3 44 ? 38.307 -73.823 -67.054 1.00 59.76 ? 66 ALA C CA 1 ? ? +8837 ATOM C CB . ALA C 3 44 ? 37.598 -74.366 -65.827 1.00 59.59 ? 66 ALA C CB 1 ? ? +8838 ATOM C C . ALA C 3 44 ? 37.632 -72.540 -67.521 1.00 59.22 ? 66 ALA C C 1 ? ? +8839 ATOM O O . ALA C 3 44 ? 36.815 -72.576 -68.437 1.00 59.32 ? 66 ALA C O 1 ? ? +8840 ATOM N N . MET C 3 45 ? 37.979 -71.415 -66.884 1.00 58.79 ? 67 MET C N 1 ? ? +8841 ATOM C CA . MET C 3 45 ? 37.325 -70.150 -67.169 1.00 58.21 ? 67 MET C CA 1 ? ? +8842 ATOM C CB . MET C 3 45 ? 37.692 -69.083 -66.127 1.00 57.70 ? 67 MET C CB 1 ? ? +8843 ATOM C CG . MET C 3 45 ? 36.854 -67.818 -66.249 1.00 57.09 ? 67 MET C CG 1 ? ? +8844 ATOM S SD . MET C 3 45 ? 35.156 -68.006 -65.558 1.00 56.66 ? 67 MET C SD 1 ? ? +8845 ATOM C CE . MET C 3 45 ? 34.182 -67.847 -67.038 1.00 56.66 ? 67 MET C CE 1 ? ? +8846 ATOM C C . MET C 3 45 ? 37.685 -69.672 -68.575 1.00 58.40 ? 67 MET C C 1 ? ? +8847 ATOM O O . MET C 3 45 ? 36.832 -69.151 -69.292 1.00 58.41 ? 67 MET C O 1 ? ? +8848 ATOM N N . THR C 3 46 ? 38.946 -69.857 -68.965 1.00 58.74 ? 68 THR C N 1 ? ? +8849 ATOM C CA . THR C 3 46 ? 39.396 -69.478 -70.293 1.00 58.99 ? 68 THR C CA 1 ? ? +8850 ATOM C CB . THR C 3 46 ? 40.916 -69.721 -70.428 1.00 59.43 ? 68 THR C CB 1 ? ? +8851 ATOM O OG1 . THR C 3 46 ? 41.594 -68.911 -69.484 1.00 59.03 ? 68 THR C OG1 1 ? ? +8852 ATOM C CG2 . THR C 3 46 ? 41.423 -69.403 -71.794 1.00 59.79 ? 68 THR C CG2 1 ? ? +8853 ATOM C C . THR C 3 46 ? 38.638 -70.232 -71.383 1.00 59.34 ? 68 THR C C 1 ? ? +8854 ATOM O O . THR C 3 46 ? 38.259 -69.647 -72.394 1.00 59.29 ? 68 THR C O 1 ? ? +8855 ATOM N N . LEU C 3 47 ? 38.449 -71.541 -71.175 1.00 59.80 ? 69 LEU C N 1 ? ? +8856 ATOM C CA . LEU C 3 47 ? 37.762 -72.380 -72.142 1.00 60.23 ? 69 LEU C CA 1 ? ? +8857 ATOM C CB . LEU C 3 47 ? 37.852 -73.864 -71.767 1.00 60.75 ? 69 LEU C CB 1 ? ? +8858 ATOM C CG . LEU C 3 47 ? 39.236 -74.510 -71.813 1.00 61.44 ? 69 LEU C CG 1 ? ? +8859 ATOM C CD1 . LEU C 3 47 ? 39.113 -76.007 -71.649 1.00 61.99 ? 69 LEU C CD1 1 ? ? +8860 ATOM C CD2 . LEU C 3 47 ? 39.988 -74.206 -73.123 1.00 61.85 ? 69 LEU C CD2 1 ? ? +8861 ATOM C C . LEU C 3 47 ? 36.301 -71.956 -72.241 1.00 59.80 ? 69 LEU C C 1 ? ? +8862 ATOM O O . LEU C 3 47 ? 35.724 -71.966 -73.323 1.00 59.89 ? 69 LEU C O 1 ? ? +8863 ATOM N N . PHE C 3 48 ? 35.721 -71.585 -71.095 1.00 59.41 ? 70 PHE C N 1 ? ? +8864 ATOM C CA . PHE C 3 48 ? 34.373 -71.053 -71.052 1.00 59.05 ? 70 PHE C CA 1 ? ? +8865 ATOM C CB . PHE C 3 48 ? 33.944 -70.807 -69.608 1.00 58.62 ? 70 PHE C CB 1 ? ? +8866 ATOM C CG . PHE C 3 48 ? 32.499 -70.382 -69.450 1.00 58.19 ? 70 PHE C CG 1 ? ? +8867 ATOM C CD1 . PHE C 3 48 ? 32.127 -69.059 -69.616 1.00 57.71 ? 70 PHE C CD1 1 ? ? +8868 ATOM C CD2 . PHE C 3 48 ? 31.521 -71.303 -69.157 1.00 58.38 ? 70 PHE C CD2 1 ? ? +8869 ATOM C CE1 . PHE C 3 48 ? 30.810 -68.667 -69.461 1.00 57.32 ? 70 PHE C CE1 1 ? ? +8870 ATOM C CE2 . PHE C 3 48 ? 30.195 -70.905 -68.999 1.00 58.01 ? 70 PHE C CE2 1 ? ? +8871 ATOM C CZ . PHE C 3 48 ? 29.848 -69.593 -69.164 1.00 57.47 ? 70 PHE C CZ 1 ? ? +8872 ATOM C C . PHE C 3 48 ? 34.303 -69.765 -71.867 1.00 58.87 ? 70 PHE C C 1 ? ? +8873 ATOM O O . PHE C 3 48 ? 33.418 -69.602 -72.707 1.00 58.87 ? 70 PHE C O 1 ? ? +8874 ATOM N N . GLU C 3 49 ? 35.242 -68.847 -71.607 1.00 58.72 ? 71 GLU C N 1 ? ? +8875 ATOM C CA . GLU C 3 49 ? 35.275 -67.593 -72.335 1.00 58.50 ? 71 GLU C CA 1 ? ? +8876 ATOM C CB . GLU C 3 49 ? 36.439 -66.722 -71.854 1.00 58.36 ? 71 GLU C CB 1 ? ? +8877 ATOM C CG . GLU C 3 49 ? 36.165 -66.052 -70.521 1.00 57.75 ? 71 GLU C CG 1 ? ? +8878 ATOM C CD . GLU C 3 49 ? 37.116 -64.928 -70.165 1.00 57.52 ? 71 GLU C CD 1 ? ? +8879 ATOM O OE1 . GLU C 3 49 ? 37.968 -64.574 -71.013 1.00 57.90 ? 71 GLU C OE1 1 ? ? +8880 ATOM O OE2 . GLU C 3 49 ? 37.009 -64.403 -69.034 1.00 57.03 ? 71 GLU C OE2 1 ? ? +8881 ATOM C C . GLU C 3 49 ? 35.362 -67.842 -73.839 1.00 59.05 ? 71 GLU C C 1 ? ? +8882 ATOM O O . GLU C 3 49 ? 34.603 -67.271 -74.614 1.00 58.84 ? 71 GLU C O 1 ? ? +8883 ATOM N N . LEU C 3 50 ? 36.298 -68.705 -74.242 1.00 59.81 ? 72 LEU C N 1 ? ? +8884 ATOM C CA . LEU C 3 50 ? 36.530 -68.979 -75.650 1.00 60.40 ? 72 LEU C CA 1 ? ? +8885 ATOM C CB . LEU C 3 50 ? 37.748 -69.914 -75.815 1.00 60.99 ? 72 LEU C CB 1 ? ? +8886 ATOM C CG . LEU C 3 50 ? 38.099 -70.307 -77.248 1.00 61.59 ? 72 LEU C CG 1 ? ? +8887 ATOM C CD1 . LEU C 3 50 ? 38.350 -69.102 -78.114 1.00 61.50 ? 72 LEU C CD1 1 ? ? +8888 ATOM C CD2 . LEU C 3 50 ? 39.322 -71.192 -77.284 1.00 62.29 ? 72 LEU C CD2 1 ? ? +8889 ATOM C C . LEU C 3 50 ? 35.290 -69.575 -76.315 1.00 60.60 ? 72 LEU C C 1 ? ? +8890 ATOM O O . LEU C 3 50 ? 34.941 -69.180 -77.421 1.00 60.61 ? 72 LEU C O 1 ? ? +8891 ATOM N N . ALA C 3 51 ? 34.639 -70.526 -75.635 1.00 60.89 ? 73 ALA C N 1 ? ? +8892 ATOM C CA . ALA C 3 51 ? 33.409 -71.137 -76.123 1.00 61.26 ? 73 ALA C CA 1 ? ? +8893 ATOM C CB . ALA C 3 51 ? 32.913 -72.175 -75.130 1.00 61.33 ? 73 ALA C CB 1 ? ? +8894 ATOM C C . ALA C 3 51 ? 32.306 -70.112 -76.380 1.00 60.90 ? 73 ALA C C 1 ? ? +8895 ATOM O O . ALA C 3 51 ? 31.519 -70.250 -77.308 1.00 61.25 ? 73 ALA C O 1 ? ? +8896 ATOM N N . HIS C 3 52 ? 32.266 -69.080 -75.541 1.00 60.51 ? 74 HIS C N 1 ? ? +8897 ATOM C CA . HIS C 3 52 ? 31.268 -68.032 -75.617 1.00 60.29 ? 74 HIS C CA 1 ? ? +8898 ATOM C CB . HIS C 3 52 ? 30.866 -67.669 -74.183 1.00 59.88 ? 74 HIS C CB 1 ? ? +8899 ATOM C CG . HIS C 3 52 ? 30.094 -68.765 -73.510 1.00 60.20 ? 74 HIS C CG 1 ? ? +8900 ATOM N ND1 . HIS C 3 52 ? 28.730 -68.826 -73.593 1.00 60.24 ? 74 HIS C ND1 1 ? ? +8901 ATOM C CE1 . HIS C 3 52 ? 28.364 -69.911 -72.914 1.00 60.38 ? 74 HIS C CE1 1 ? ? +8902 ATOM N NE2 . HIS C 3 52 ? 29.416 -70.539 -72.418 1.00 60.61 ? 74 HIS C NE2 1 ? ? +8903 ATOM C CD2 . HIS C 3 52 ? 30.527 -69.815 -72.778 1.00 60.56 ? 74 HIS C CD2 1 ? ? +8904 ATOM C C . HIS C 3 52 ? 31.749 -66.794 -76.368 1.00 60.26 ? 74 HIS C C 1 ? ? +8905 ATOM O O . HIS C 3 52 ? 31.085 -65.765 -76.346 1.00 60.15 ? 74 HIS C O 1 ? ? +8906 ATOM N N . PHE C 3 53 ? 32.898 -66.896 -77.035 1.00 60.68 ? 75 PHE C N 1 ? ? +8907 ATOM C CA . PHE C 3 53 ? 33.505 -65.757 -77.703 1.00 60.74 ? 75 PHE C CA 1 ? ? +8908 ATOM C CB . PHE C 3 53 ? 35.035 -65.904 -77.645 1.00 61.20 ? 75 PHE C CB 1 ? ? +8909 ATOM C CG . PHE C 3 53 ? 35.805 -64.775 -78.257 1.00 61.21 ? 75 PHE C CG 1 ? ? +8910 ATOM C CD1 . PHE C 3 53 ? 35.694 -63.497 -77.754 1.00 60.78 ? 75 PHE C CD1 1 ? ? +8911 ATOM C CD2 . PHE C 3 53 ? 36.638 -64.990 -79.336 1.00 61.83 ? 75 PHE C CD2 1 ? ? +8912 ATOM C CE1 . PHE C 3 53 ? 36.422 -62.449 -78.308 1.00 60.91 ? 75 PHE C CE1 1 ? ? +8913 ATOM C CE2 . PHE C 3 53 ? 37.348 -63.941 -79.902 1.00 62.00 ? 75 PHE C CE2 1 ? ? +8914 ATOM C CZ . PHE C 3 53 ? 37.247 -62.680 -79.375 1.00 61.48 ? 75 PHE C CZ 1 ? ? +8915 ATOM C C . PHE C 3 53 ? 33.047 -65.652 -79.157 1.00 61.15 ? 75 PHE C C 1 ? ? +8916 ATOM O O . PHE C 3 53 ? 33.123 -66.622 -79.901 1.00 61.74 ? 75 PHE C O 1 ? ? +8917 ATOM N N . ILE C 3 54 ? 32.558 -64.471 -79.546 1.00 61.02 ? 76 ILE C N 1 ? ? +8918 ATOM C CA . ILE C 3 54 ? 32.339 -64.123 -80.942 1.00 61.44 ? 76 ILE C CA 1 ? ? +8919 ATOM C CB . ILE C 3 54 ? 30.884 -63.580 -81.176 1.00 61.36 ? 76 ILE C CB 1 ? ? +8920 ATOM C CG1 . ILE C 3 54 ? 29.808 -64.656 -80.915 1.00 61.55 ? 76 ILE C CG1 1 ? ? +8921 ATOM C CG2 . ILE C 3 54 ? 30.715 -62.982 -82.566 1.00 61.70 ? 76 ILE C CG2 1 ? ? +8922 ATOM C CD1 . ILE C 3 54 ? 29.108 -64.517 -79.583 1.00 61.04 ? 76 ILE C CD1 1 ? ? +8923 ATOM C C . ILE C 3 54 ? 33.411 -63.100 -81.318 1.00 61.38 ? 76 ILE C C 1 ? ? +8924 ATOM O O . ILE C 3 54 ? 33.439 -62.010 -80.756 1.00 60.74 ? 76 ILE C O 1 ? ? +8925 ATOM N N . PRO C 3 55 ? 34.325 -63.393 -82.271 1.00 62.15 ? 77 PRO C N 1 ? ? +8926 ATOM C CA . PRO C 3 55 ? 35.414 -62.465 -82.603 1.00 62.28 ? 77 PRO C CA 1 ? ? +8927 ATOM C CB . PRO C 3 55 ? 36.239 -63.232 -83.651 1.00 63.08 ? 77 PRO C CB 1 ? ? +8928 ATOM C CG . PRO C 3 55 ? 35.818 -64.663 -83.517 1.00 63.37 ? 77 PRO C CG 1 ? ? +8929 ATOM C CD . PRO C 3 55 ? 34.394 -64.638 -83.053 1.00 62.84 ? 77 PRO C CD 1 ? ? +8930 ATOM C C . PRO C 3 55 ? 35.024 -61.097 -83.162 1.00 61.94 ? 77 PRO C C 1 ? ? +8931 ATOM O O . PRO C 3 55 ? 35.823 -60.169 -83.105 1.00 62.12 ? 77 PRO C O 1 ? ? +8932 ATOM N N . GLU C 3 56 ? 33.811 -60.959 -83.704 1.00 61.64 ? 78 GLU C N 1 ? ? +8933 ATOM C CA . GLU C 3 56 ? 33.390 -59.695 -84.291 1.00 61.24 ? 78 GLU C CA 1 ? ? +8934 ATOM C CB . GLU C 3 56 ? 32.346 -59.953 -85.393 1.00 61.81 ? 78 GLU C CB 1 ? ? +8935 ATOM C CG . GLU C 3 56 ? 32.924 -60.761 -86.548 1.00 62.82 ? 78 GLU C CG 1 ? ? +8936 ATOM C CD . GLU C 3 56 ? 32.950 -62.266 -86.379 1.00 63.27 ? 78 GLU C CD 1 ? ? +8937 ATOM O OE1 . GLU C 3 56 ? 32.184 -62.783 -85.529 1.00 63.07 ? 78 GLU C OE1 1 ? ? +8938 ATOM O OE2 . GLU C 3 56 ? 33.749 -62.923 -87.088 1.00 63.90 ? 78 GLU C OE2 1 ? ? +8939 ATOM C C . GLU C 3 56 ? 32.847 -58.690 -83.277 1.00 59.96 ? 78 GLU C C 1 ? ? +8940 ATOM O O . GLU C 3 56 ? 32.761 -57.506 -83.581 1.00 59.79 ? 78 GLU C O 1 ? ? +8941 ATOM N N . LYS C 3 57 ? 32.468 -59.165 -82.086 1.00 59.06 ? 79 LYS C N 1 ? ? +8942 ATOM C CA . LYS C 3 57 ? 32.083 -58.284 -80.996 1.00 57.95 ? 79 LYS C CA 1 ? ? +8943 ATOM C CB . LYS C 3 57 ? 31.126 -58.962 -80.015 1.00 57.59 ? 79 LYS C CB 1 ? ? +8944 ATOM C CG . LYS C 3 57 ? 29.726 -59.060 -80.507 1.00 57.64 ? 79 LYS C CG 1 ? ? +8945 ATOM C CD . LYS C 3 57 ? 28.801 -59.829 -79.558 1.00 57.36 ? 79 LYS C CD 1 ? ? +8946 ATOM C CE . LYS C 3 57 ? 28.370 -59.061 -78.363 1.00 56.67 ? 79 LYS C CE 1 ? ? +8947 ATOM N NZ . LYS C 3 57 ? 27.586 -59.926 -77.460 1.00 56.51 ? 79 LYS C NZ 1 ? ? +8948 ATOM C C . LYS C 3 57 ? 33.332 -57.874 -80.227 1.00 57.44 ? 79 LYS C C 1 ? ? +8949 ATOM O O . LYS C 3 57 ? 34.223 -58.686 -80.021 1.00 57.71 ? 79 LYS C O 1 ? ? +8950 ATOM N N . PRO C 3 58 ? 33.423 -56.624 -79.731 1.00 56.63 ? 80 PRO C N 1 ? ? +8951 ATOM C CA . PRO C 3 58 ? 34.491 -56.267 -78.804 1.00 56.15 ? 80 PRO C CA 1 ? ? +8952 ATOM C CB . PRO C 3 58 ? 34.153 -54.825 -78.416 1.00 55.69 ? 80 PRO C CB 1 ? ? +8953 ATOM C CG . PRO C 3 58 ? 33.270 -54.307 -79.518 1.00 55.87 ? 80 PRO C CG 1 ? ? +8954 ATOM C CD . PRO C 3 58 ? 32.504 -55.508 -80.025 1.00 56.25 ? 80 PRO C CD 1 ? ? +8955 ATOM C C . PRO C 3 58 ? 34.479 -57.209 -77.604 1.00 55.69 ? 80 PRO C C 1 ? ? +8956 ATOM O O . PRO C 3 58 ? 33.421 -57.644 -77.164 1.00 55.46 ? 80 PRO C O 1 ? ? +8957 ATOM N N . MET C 3 59 ? 35.664 -57.514 -77.075 1.00 55.54 ? 81 MET C N 1 ? ? +8958 ATOM C CA . MET C 3 59 ? 35.794 -58.343 -75.891 1.00 55.17 ? 81 MET C CA 1 ? ? +8959 ATOM C CB . MET C 3 59 ? 37.267 -58.369 -75.452 1.00 55.39 ? 81 MET C CB 1 ? ? +8960 ATOM C CG . MET C 3 59 ? 38.125 -59.212 -76.335 1.00 56.07 ? 81 MET C CG 1 ? ? +8961 ATOM S SD . MET C 3 59 ? 39.822 -59.186 -75.773 1.00 56.35 ? 81 MET C SD 1 ? ? +8962 ATOM C CE . MET C 3 59 ? 40.600 -59.890 -77.080 1.00 57.15 ? 81 MET C CE 1 ? ? +8963 ATOM C C . MET C 3 59 ? 34.938 -57.836 -74.735 1.00 54.31 ? 81 MET C C 1 ? ? +8964 ATOM O O . MET C 3 59 ? 34.355 -58.625 -73.998 1.00 54.08 ? 81 MET C O 1 ? ? +8965 ATOM N N . TYR C 3 60 ? 34.896 -56.510 -74.570 1.00 53.81 ? 82 TYR C N 1 ? ? +8966 ATOM C CA . TYR C 3 60 ? 34.259 -55.898 -73.417 1.00 53.14 ? 82 TYR C CA 1 ? ? +8967 ATOM C CB . TYR C 3 60 ? 34.781 -54.454 -73.244 1.00 52.87 ? 82 TYR C CB 1 ? ? +8968 ATOM C CG . TYR C 3 60 ? 34.778 -53.563 -74.476 1.00 53.01 ? 82 TYR C CG 1 ? ? +8969 ATOM C CD1 . TYR C 3 60 ? 33.630 -52.901 -74.879 1.00 52.72 ? 82 TYR C CD1 1 ? ? +8970 ATOM C CD2 . TYR C 3 60 ? 35.933 -53.358 -75.213 1.00 53.50 ? 82 TYR C CD2 1 ? ? +8971 ATOM C CE1 . TYR C 3 60 ? 33.626 -52.070 -75.994 1.00 52.90 ? 82 TYR C CE1 1 ? ? +8972 ATOM C CE2 . TYR C 3 60 ? 35.945 -52.525 -76.330 1.00 53.68 ? 82 TYR C CE2 1 ? ? +8973 ATOM C CZ . TYR C 3 60 ? 34.786 -51.883 -76.720 1.00 53.39 ? 82 TYR C CZ 1 ? ? +8974 ATOM O OH . TYR C 3 60 ? 34.781 -51.064 -77.831 1.00 53.56 ? 82 TYR C OH 1 ? ? +8975 ATOM C C . TYR C 3 60 ? 32.726 -55.963 -73.455 1.00 52.87 ? 82 TYR C C 1 ? ? +8976 ATOM O O . TYR C 3 60 ? 32.053 -55.746 -72.443 1.00 52.37 ? 82 TYR C O 1 ? ? +8977 ATOM N N . GLU C 3 61 ? 32.175 -56.315 -74.620 1.00 53.20 ? 83 GLU C N 1 ? ? +8978 ATOM C CA . GLU C 3 61 ? 30.759 -56.598 -74.734 1.00 53.10 ? 83 GLU C CA 1 ? ? +8979 ATOM C CB . GLU C 3 61 ? 30.274 -56.292 -76.152 1.00 53.34 ? 83 GLU C CB 1 ? ? +8980 ATOM C CG . GLU C 3 61 ? 30.016 -54.824 -76.415 1.00 53.01 ? 83 GLU C CG 1 ? ? +8981 ATOM C CD . GLU C 3 61 ? 29.435 -54.575 -77.785 1.00 53.25 ? 83 GLU C CD 1 ? ? +8982 ATOM O OE1 . GLU C 3 61 ? 29.046 -55.561 -78.441 1.00 53.59 ? 83 GLU C OE1 1 ? ? +8983 ATOM O OE2 . GLU C 3 61 ? 29.432 -53.415 -78.240 1.00 53.15 ? 83 GLU C OE2 1 ? ? +8984 ATOM C C . GLU C 3 61 ? 30.397 -58.044 -74.401 1.00 53.39 ? 83 GLU C C 1 ? ? +8985 ATOM O O . GLU C 3 61 ? 29.228 -58.403 -74.481 1.00 53.32 ? 83 GLU C O 1 ? ? +8986 ATOM N N . GLN C 3 62 ? 31.385 -58.872 -74.037 1.00 53.75 ? 84 GLN C N 1 ? ? +8987 ATOM C CA . GLN C 3 62 ? 31.160 -60.306 -73.917 1.00 54.11 ? 84 GLN C CA 1 ? ? +8988 ATOM C CB . GLN C 3 62 ? 31.969 -61.023 -74.994 1.00 54.78 ? 84 GLN C CB 1 ? ? +8989 ATOM C CG . GLN C 3 62 ? 31.608 -60.591 -76.396 1.00 55.06 ? 84 GLN C CG 1 ? ? +8990 ATOM C CD . GLN C 3 62 ? 32.362 -61.369 -77.403 1.00 55.80 ? 84 GLN C CD 1 ? ? +8991 ATOM O OE1 . GLN C 3 62 ? 32.108 -62.563 -77.554 1.00 56.21 ? 84 GLN C OE1 1 ? ? +8992 ATOM N NE2 . GLN C 3 62 ? 33.294 -60.719 -78.125 1.00 56.06 ? 84 GLN C NE2 1 ? ? +8993 ATOM C C . GLN C 3 62 ? 31.462 -60.928 -72.554 1.00 54.02 ? 84 GLN C C 1 ? ? +8994 ATOM O O . GLN C 3 62 ? 31.343 -62.139 -72.399 1.00 54.30 ? 84 GLN C O 1 ? ? +8995 ATOM N N . GLY C 3 63 ? 31.793 -60.097 -71.558 1.00 53.69 ? 85 GLY C N 1 ? ? +8996 ATOM C CA . GLY C 3 63 ? 31.985 -60.559 -70.189 1.00 53.57 ? 85 GLY C CA 1 ? ? +8997 ATOM C C . GLY C 3 63 ? 33.316 -61.273 -69.964 1.00 54.07 ? 85 GLY C C 1 ? ? +8998 ATOM O O . GLY C 3 63 ? 33.424 -62.179 -69.132 1.00 54.20 ? 85 GLY C O 1 ? ? +8999 ATOM N N . LEU C 3 64 ? 34.335 -60.846 -70.714 1.00 54.47 ? 86 LEU C N 1 ? ? +9000 ATOM C CA . LEU C 3 64 ? 35.613 -61.539 -70.732 1.00 55.06 ? 86 LEU C CA 1 ? ? +9001 ATOM C CB . LEU C 3 64 ? 36.174 -61.595 -72.148 1.00 55.57 ? 86 LEU C CB 1 ? ? +9002 ATOM C CG . LEU C 3 64 ? 35.247 -62.186 -73.200 1.00 55.81 ? 86 LEU C CG 1 ? ? +9003 ATOM C CD1 . LEU C 3 64 ? 35.903 -62.206 -74.539 1.00 56.37 ? 86 LEU C CD1 1 ? ? +9004 ATOM C CD2 . LEU C 3 64 ? 34.805 -63.575 -72.801 1.00 56.02 ? 86 LEU C CD2 1 ? ? +9005 ATOM C C . LEU C 3 64 ? 36.570 -60.788 -69.820 1.00 54.99 ? 86 LEU C C 1 ? ? +9006 ATOM O O . LEU C 3 64 ? 36.675 -59.567 -69.915 1.00 54.83 ? 86 LEU C O 1 ? ? +9007 ATOM N N . ILE C 3 65 ? 37.237 -61.524 -68.927 1.00 55.24 ? 87 ILE C N 1 ? ? +9008 ATOM C CA . ILE C 3 65 ? 38.286 -60.949 -68.104 1.00 55.24 ? 87 ILE C CA 1 ? ? +9009 ATOM C CB . ILE C 3 65 ? 37.873 -60.918 -66.613 1.00 54.75 ? 87 ILE C CB 1 ? ? +9010 ATOM C CG1 . ILE C 3 65 ? 37.595 -62.315 -66.045 1.00 54.97 ? 87 ILE C CG1 1 ? ? +9011 ATOM C CG2 . ILE C 3 65 ? 36.684 -60.003 -66.427 1.00 54.15 ? 87 ILE C CG2 1 ? ? +9012 ATOM C CD1 . ILE C 3 65 ? 37.192 -62.306 -64.566 1.00 54.55 ? 87 ILE C CD1 1 ? ? +9013 ATOM C C . ILE C 3 65 ? 39.628 -61.644 -68.312 1.00 55.99 ? 87 ILE C C 1 ? ? +9014 ATOM O O . ILE C 3 65 ? 40.662 -61.045 -68.039 1.00 56.18 ? 87 ILE C O 1 ? ? +9015 ATOM N N . LEU C 3 66 ? 39.621 -62.881 -68.818 1.00 56.49 ? 88 LEU C N 1 ? ? +9016 ATOM C CA . LEU C 3 66 ? 40.855 -63.624 -68.994 1.00 57.19 ? 88 LEU C CA 1 ? ? +9017 ATOM C CB . LEU C 3 66 ? 40.606 -65.088 -68.650 1.00 57.55 ? 88 LEU C CB 1 ? ? +9018 ATOM C CG . LEU C 3 66 ? 40.277 -65.359 -67.178 1.00 57.29 ? 88 LEU C CG 1 ? ? +9019 ATOM C CD1 . LEU C 3 66 ? 40.567 -66.797 -66.807 1.00 57.84 ? 88 LEU C CD1 1 ? ? +9020 ATOM C CD2 . LEU C 3 66 ? 41.068 -64.467 -66.225 1.00 57.09 ? 88 LEU C CD2 1 ? ? +9021 ATOM C C . LEU C 3 66 ? 41.459 -63.470 -70.387 1.00 57.69 ? 88 LEU C C 1 ? ? +9022 ATOM O O . LEU C 3 66 ? 42.646 -63.170 -70.508 1.00 58.15 ? 88 LEU C O 1 ? ? +9023 ATOM N N . ILE C 3 67 ? 40.650 -63.648 -71.435 1.00 57.70 ? 89 ILE C N 1 ? ? +9024 ATOM C CA . ILE C 3 67 ? 41.131 -63.447 -72.795 1.00 58.13 ? 89 ILE C CA 1 ? ? +9025 ATOM C CB . ILE C 3 67 ? 39.990 -63.712 -73.816 1.00 58.17 ? 89 ILE C CB 1 ? ? +9026 ATOM C CG1 . ILE C 3 67 ? 39.649 -65.207 -73.852 1.00 58.61 ? 89 ILE C CG1 1 ? ? +9027 ATOM C CG2 . ILE C 3 67 ? 40.344 -63.214 -75.204 1.00 58.52 ? 89 ILE C CG2 1 ? ? +9028 ATOM C CD1 . ILE C 3 67 ? 38.486 -65.611 -74.800 1.00 58.68 ? 89 ILE C CD1 1 ? ? +9029 ATOM C C . ILE C 3 67 ? 41.788 -62.075 -72.981 1.00 57.94 ? 89 ILE C C 1 ? ? +9030 ATOM O O . ILE C 3 67 ? 42.797 -61.963 -73.675 1.00 58.39 ? 89 ILE C O 1 ? ? +9031 ATOM N N . PRO C 3 68 ? 41.232 -60.984 -72.401 1.00 57.30 ? 90 PRO C N 1 ? ? +9032 ATOM C CA . PRO C 3 68 ? 41.894 -59.678 -72.409 1.00 57.14 ? 90 PRO C CA 1 ? ? +9033 ATOM C CB . PRO C 3 68 ? 40.956 -58.813 -71.561 1.00 56.37 ? 90 PRO C CB 1 ? ? +9034 ATOM C CG . PRO C 3 68 ? 39.635 -59.472 -71.671 1.00 56.21 ? 90 PRO C CG 1 ? ? +9035 ATOM C CD . PRO C 3 68 ? 39.904 -60.927 -71.766 1.00 56.71 ? 90 PRO C CD 1 ? ? +9036 ATOM C C . PRO C 3 68 ? 43.306 -59.659 -71.826 1.00 57.41 ? 90 PRO C C 1 ? ? +9037 ATOM O O . PRO C 3 68 ? 44.135 -58.881 -72.277 1.00 57.57 ? 90 PRO C O 1 ? ? +9038 ATOM N N . HIS C 3 69 ? 43.551 -60.492 -70.806 1.00 57.43 ? 91 HIS C N 1 ? ? +9039 ATOM C CA . HIS C 3 69 ? 44.869 -60.609 -70.206 1.00 57.73 ? 91 HIS C CA 1 ? ? +9040 ATOM C CB . HIS C 3 69 ? 44.848 -61.386 -68.877 1.00 57.59 ? 91 HIS C CB 1 ? ? +9041 ATOM C CG . HIS C 3 69 ? 44.412 -60.578 -67.692 1.00 56.96 ? 91 HIS C CG 1 ? ? +9042 ATOM N ND1 . HIS C 3 69 ? 45.307 -60.163 -66.742 1.00 57.02 ? 91 HIS C ND1 1 ? ? +9043 ATOM C CE1 . HIS C 3 69 ? 44.608 -59.476 -65.850 1.00 56.41 ? 91 HIS C CE1 1 ? ? +9044 ATOM N NE2 . HIS C 3 69 ? 43.311 -59.446 -66.179 1.00 55.96 ? 91 HIS C NE2 1 ? ? +9045 ATOM C CD2 . HIS C 3 69 ? 43.181 -60.141 -67.346 1.00 56.32 ? 91 HIS C CD2 1 ? ? +9046 ATOM C C . HIS C 3 69 ? 45.841 -61.268 -71.176 1.00 58.58 ? 91 HIS C C 1 ? ? +9047 ATOM O O . HIS C 3 69 ? 46.979 -60.818 -71.304 1.00 59.10 ? 91 HIS C O 1 ? ? +9048 ATOM N N . ILE C 3 70 ? 45.390 -62.332 -71.850 1.00 58.87 ? 92 ILE C N 1 ? ? +9049 ATOM C CA . ILE C 3 70 ? 46.218 -63.039 -72.812 1.00 59.64 ? 92 ILE C CA 1 ? ? +9050 ATOM C CB . ILE C 3 70 ? 45.572 -64.371 -73.246 1.00 59.95 ? 92 ILE C CB 1 ? ? +9051 ATOM C CG1 . ILE C 3 70 ? 45.241 -65.275 -72.055 1.00 59.79 ? 92 ILE C CG1 1 ? ? +9052 ATOM C CG2 . ILE C 3 70 ? 46.472 -65.110 -74.233 1.00 60.83 ? 92 ILE C CG2 1 ? ? +9053 ATOM C CD1 . ILE C 3 70 ? 44.310 -66.413 -72.413 1.00 59.90 ? 92 ILE C CD1 1 ? ? +9054 ATOM C C . ILE C 3 70 ? 46.511 -62.151 -74.023 1.00 59.84 ? 92 ILE C C 1 ? ? +9055 ATOM O O . ILE C 3 70 ? 47.642 -62.109 -74.515 1.00 60.36 ? 92 ILE C O 1 ? ? +9056 ATOM N N . ALA C 3 71 ? 45.477 -61.451 -74.504 1.00 59.34 ? 93 ALA C N 1 ? ? +9057 ATOM C CA . ALA C 3 71 ? 45.609 -60.558 -75.645 1.00 59.51 ? 93 ALA C CA 1 ? ? +9058 ATOM C CB . ALA C 3 71 ? 44.250 -59.961 -75.995 1.00 58.98 ? 93 ALA C CB 1 ? ? +9059 ATOM C C . ALA C 3 71 ? 46.624 -59.442 -75.402 1.00 59.55 ? 93 ALA C C 1 ? ? +9060 ATOM O O . ALA C 3 71 ? 47.382 -59.090 -76.295 1.00 59.99 ? 93 ALA C O 1 ? ? +9061 ATOM N N . THR C 3 72 ? 46.618 -58.885 -74.186 1.00 59.14 ? 94 THR C N 1 ? ? +9062 ATOM C CA . THR C 3 72 ? 47.536 -57.829 -73.793 1.00 59.22 ? 94 THR C CA 1 ? ? +9063 ATOM C CB . THR C 3 72 ? 47.221 -57.389 -72.346 1.00 58.60 ? 94 THR C CB 1 ? ? +9064 ATOM O OG1 . THR C 3 72 ? 45.869 -56.952 -72.262 1.00 57.98 ? 94 THR C OG1 1 ? ? +9065 ATOM C CG2 . THR C 3 72 ? 48.117 -56.266 -71.853 1.00 58.59 ? 94 THR C CG2 1 ? ? +9066 ATOM C C . THR C 3 72 ? 48.990 -58.276 -73.935 1.00 60.05 ? 94 THR C C 1 ? ? +9067 ATOM O O . THR C 3 72 ? 49.868 -57.462 -74.215 1.00 60.26 ? 94 THR C O 1 ? ? +9068 ATOM N N . LEU C 3 73 ? 49.230 -59.578 -73.736 1.00 60.57 ? 95 LEU C N 1 ? ? +9069 ATOM C CA . LEU C 3 73 ? 50.565 -60.141 -73.859 1.00 61.54 ? 95 LEU C CA 1 ? ? +9070 ATOM C CB . LEU C 3 73 ? 50.650 -61.444 -73.046 1.00 61.76 ? 95 LEU C CB 1 ? ? +9071 ATOM C CG . LEU C 3 73 ? 50.488 -61.292 -71.542 1.00 61.33 ? 95 LEU C CG 1 ? ? +9072 ATOM C CD1 . LEU C 3 73 ? 50.673 -62.631 -70.847 1.00 61.67 ? 95 LEU C CD1 1 ? ? +9073 ATOM C CD2 . LEU C 3 73 ? 51.473 -60.269 -70.975 1.00 61.33 ? 95 LEU C CD2 1 ? ? +9074 ATOM C C . LEU C 3 73 ? 50.985 -60.421 -75.302 1.00 62.29 ? 95 LEU C C 1 ? ? +9075 ATOM O O . LEU C 3 73 ? 52.055 -60.968 -75.530 1.00 62.89 ? 95 LEU C O 1 ? ? +9076 ATOM N N . GLY C 3 74 ? 50.136 -60.064 -76.272 1.00 62.30 ? 96 GLY C N 1 ? ? +9077 ATOM C CA . GLY C 3 74 ? 50.502 -60.148 -77.676 1.00 63.03 ? 96 GLY C CA 1 ? ? +9078 ATOM C C . GLY C 3 74 ? 50.013 -61.398 -78.399 1.00 63.48 ? 96 GLY C C 1 ? ? +9079 ATOM O O . GLY C 3 74 ? 50.261 -61.552 -79.588 1.00 64.07 ? 96 GLY C O 1 ? ? +9080 ATOM N N . TRP C 3 75 ? 49.293 -62.271 -77.691 1.00 63.37 ? 97 TRP C N 1 ? ? +9081 ATOM C CA . TRP C 3 75 ? 48.791 -63.500 -78.281 1.00 63.83 ? 97 TRP C CA 1 ? ? +9082 ATOM C CB . TRP C 3 75 ? 48.810 -64.641 -77.258 1.00 63.81 ? 97 TRP C CB 1 ? ? +9083 ATOM C CG . TRP C 3 75 ? 50.157 -65.267 -77.055 1.00 64.43 ? 97 TRP C CG 1 ? ? +9084 ATOM C CD1 . TRP C 3 75 ? 51.009 -65.696 -78.023 1.00 65.21 ? 97 TRP C CD1 1 ? ? +9085 ATOM N NE1 . TRP C 3 75 ? 52.138 -66.229 -77.455 1.00 65.72 ? 97 TRP C NE1 1 ? ? +9086 ATOM C CE2 . TRP C 3 75 ? 52.023 -66.165 -76.091 1.00 65.22 ? 97 TRP C CE2 1 ? ? +9087 ATOM C CZ2 . TRP C 3 75 ? 52.902 -66.580 -75.088 1.00 65.48 ? 97 TRP C CZ2 1 ? ? +9088 ATOM C CH2 . TRP C 3 75 ? 52.515 -66.379 -73.791 1.00 64.87 ? 97 TRP C CH2 1 ? ? +9089 ATOM C CZ3 . TRP C 3 75 ? 51.293 -65.783 -73.479 1.00 64.04 ? 97 TRP C CZ3 1 ? ? +9090 ATOM C CE3 . TRP C 3 75 ? 50.427 -65.370 -74.469 1.00 63.79 ? 97 TRP C CE3 1 ? ? +9091 ATOM C CD2 . TRP C 3 75 ? 50.783 -65.569 -75.805 1.00 64.37 ? 97 TRP C CD2 1 ? ? +9092 ATOM C C . TRP C 3 75 ? 47.381 -63.333 -78.843 1.00 63.61 ? 97 TRP C C 1 ? ? +9093 ATOM O O . TRP C 3 75 ? 46.474 -62.880 -78.153 1.00 62.86 ? 97 TRP C O 1 ? ? +9094 ATOM N N . GLY C 3 76 ? 47.227 -63.705 -80.116 1.00 64.38 ? 98 GLY C N 1 ? ? +9095 ATOM C CA . GLY C 3 76 ? 45.927 -63.838 -80.749 1.00 64.28 ? 98 GLY C CA 1 ? ? +9096 ATOM C C . GLY C 3 76 ? 45.397 -62.572 -81.409 1.00 64.20 ? 98 GLY C C 1 ? ? +9097 ATOM O O . GLY C 3 76 ? 44.314 -62.604 -81.987 1.00 64.24 ? 98 GLY C O 1 ? ? +9098 ATOM N N . VAL C 3 77 ? 46.156 -61.470 -81.334 1.00 64.34 ? 99 VAL C N 1 ? ? +9099 ATOM C CA . VAL C 3 77 ? 45.656 -60.176 -81.771 1.00 64.10 ? 99 VAL C CA 1 ? ? +9100 ATOM C CB . VAL C 3 77 ? 45.373 -59.242 -80.572 1.00 63.34 ? 99 VAL C CB 1 ? ? +9101 ATOM C CG1 . VAL C 3 77 ? 44.188 -59.733 -79.761 1.00 62.72 ? 99 VAL C CG1 1 ? ? +9102 ATOM C CG2 . VAL C 3 77 ? 46.604 -59.072 -79.689 1.00 63.49 ? 99 VAL C CG2 1 ? ? +9103 ATOM C C . VAL C 3 77 ? 46.605 -59.501 -82.757 1.00 64.84 ? 99 VAL C C 1 ? ? +9104 ATOM O O . VAL C 3 77 ? 47.792 -59.804 -82.799 1.00 65.40 ? 99 VAL C O 1 ? ? +9105 ATOM N N . GLY C 3 78 ? 46.046 -58.577 -83.541 1.00 64.97 ? 100 GLY C N 1 ? ? +9106 ATOM C CA . GLY C 3 78 ? 46.786 -57.823 -84.536 1.00 65.76 ? 100 GLY C CA 1 ? ? +9107 ATOM C C . GLY C 3 78 ? 46.409 -56.345 -84.482 1.00 65.64 ? 100 GLY C C 1 ? ? +9108 ATOM O O . GLY C 3 78 ? 45.878 -55.878 -83.476 1.00 64.94 ? 100 GLY C O 1 ? ? +9109 ATOM N N . PRO C 3 79 ? 46.667 -55.568 -85.557 1.00 66.46 ? 101 PRO C N 1 ? ? +9110 ATOM C CA . PRO C 3 79 ? 46.437 -54.124 -85.529 1.00 66.53 ? 101 PRO C CA 1 ? ? +9111 ATOM C CB . PRO C 3 79 ? 46.669 -53.713 -86.985 1.00 67.08 ? 101 PRO C CB 1 ? ? +9112 ATOM C CG . PRO C 3 79 ? 47.589 -54.776 -87.544 1.00 67.65 ? 101 PRO C CG 1 ? ? +9113 ATOM C CD . PRO C 3 79 ? 47.187 -56.043 -86.850 1.00 67.36 ? 101 PRO C CD 1 ? ? +9114 ATOM C C . PRO C 3 79 ? 45.042 -53.754 -85.026 1.00 66.20 ? 101 PRO C C 1 ? ? +9115 ATOM O O . PRO C 3 79 ? 44.061 -54.391 -85.393 1.00 66.24 ? 101 PRO C O 1 ? ? +9116 ATOM N N . GLY C 3 80 ? 44.973 -52.742 -84.154 1.00 66.17 ? 102 GLY C N 1 ? ? +9117 ATOM C CA . GLY C 3 80 ? 43.712 -52.276 -83.600 1.00 65.83 ? 102 GLY C CA 1 ? ? +9118 ATOM C C . GLY C 3 80 ? 43.109 -53.185 -82.528 1.00 65.93 ? 102 GLY C C 1 ? ? +9119 ATOM O O . GLY C 3 80 ? 42.027 -52.913 -82.013 1.00 65.45 ? 102 GLY C O 1 ? ? +9120 ATOM N N . GLY C 3 81 ? 43.833 -54.248 -82.165 1.00 67.06 ? 103 GLY C N 1 ? ? +9121 ATOM C CA . GLY C 3 81 ? 43.350 -55.229 -81.207 1.00 67.06 ? 103 GLY C CA 1 ? ? +9122 ATOM C C . GLY C 3 81 ? 42.390 -56.254 -81.811 1.00 67.67 ? 103 GLY C C 1 ? ? +9123 ATOM O O . GLY C 3 81 ? 41.687 -56.949 -81.084 1.00 67.74 ? 103 GLY C O 1 ? ? +9124 ATOM N N . GLU C 3 82 ? 42.365 -56.351 -83.144 1.00 68.64 ? 104 GLU C N 1 ? ? +9125 ATOM C CA . GLU C 3 82 ? 41.523 -57.317 -83.822 1.00 69.32 ? 104 GLU C CA 1 ? ? +9126 ATOM C CB . GLU C 3 82 ? 41.520 -57.054 -85.330 1.00 71.25 ? 104 GLU C CB 1 ? ? +9127 ATOM C CG . GLU C 3 82 ? 40.506 -57.906 -86.068 1.00 73.44 ? 104 GLU C CG 1 ? ? +9128 ATOM C CD . GLU C 3 82 ? 40.134 -57.447 -87.465 1.00 75.21 ? 104 GLU C CD 1 ? ? +9129 ATOM O OE1 . GLU C 3 82 ? 39.395 -56.440 -87.576 1.00 74.99 ? 104 GLU C OE1 1 ? ? +9130 ATOM O OE2 . GLU C 3 82 ? 40.571 -58.101 -88.444 1.00 77.01 ? 104 GLU C OE2 1 ? ? +9131 ATOM C C . GLU C 3 82 ? 42.022 -58.725 -83.518 1.00 68.97 ? 104 GLU C C 1 ? ? +9132 ATOM O O . GLU C 3 82 ? 43.228 -58.954 -83.498 1.00 69.63 ? 104 GLU C O 1 ? ? +9133 ATOM N N . VAL C 3 83 ? 41.095 -59.659 -83.267 1.00 68.07 ? 105 VAL C N 1 ? ? +9134 ATOM C CA . VAL C 3 83 ? 41.471 -61.044 -83.021 1.00 67.85 ? 105 VAL C CA 1 ? ? +9135 ATOM C CB . VAL C 3 83 ? 40.410 -61.828 -82.229 1.00 67.14 ? 105 VAL C CB 1 ? ? +9136 ATOM C CG1 . VAL C 3 83 ? 40.743 -63.320 -82.189 1.00 67.41 ? 105 VAL C CG1 1 ? ? +9137 ATOM C CG2 . VAL C 3 83 ? 40.257 -61.271 -80.822 1.00 66.37 ? 105 VAL C CG2 1 ? ? +9138 ATOM C C . VAL C 3 83 ? 41.751 -61.721 -84.358 1.00 68.25 ? 105 VAL C C 1 ? ? +9139 ATOM O O . VAL C 3 83 ? 40.871 -61.768 -85.208 1.00 68.39 ? 105 VAL C O 1 ? ? +9140 ATOM N N . VAL C 3 84 ? 42.979 -62.237 -84.518 1.00 68.36 ? 106 VAL C N 1 ? ? +9141 ATOM C CA . VAL C 3 84 ? 43.407 -62.894 -85.742 1.00 68.71 ? 106 VAL C CA 1 ? ? +9142 ATOM C CB . VAL C 3 84 ? 44.773 -62.341 -86.231 1.00 69.04 ? 106 VAL C CB 1 ? ? +9143 ATOM C CG1 . VAL C 3 84 ? 44.667 -60.873 -86.617 1.00 68.66 ? 106 VAL C CG1 1 ? ? +9144 ATOM C CG2 . VAL C 3 84 ? 45.884 -62.568 -85.202 1.00 69.04 ? 106 VAL C CG2 1 ? ? +9145 ATOM C C . VAL C 3 84 ? 43.494 -64.411 -85.588 1.00 68.96 ? 106 VAL C C 1 ? ? +9146 ATOM O O . VAL C 3 84 ? 43.530 -65.128 -86.583 1.00 69.73 ? 106 VAL C O 1 ? ? +9147 ATOM N N . ASP C 3 85 ? 43.551 -64.893 -84.339 1.00 68.45 ? 107 ASP C N 1 ? ? +9148 ATOM C CA . ASP C 3 85 ? 43.814 -66.296 -84.056 1.00 68.56 ? 107 ASP C CA 1 ? ? +9149 ATOM C CB . ASP C 3 85 ? 45.307 -66.602 -84.297 1.00 69.24 ? 107 ASP C CB 1 ? ? +9150 ATOM C CG . ASP C 3 85 ? 45.701 -68.063 -84.201 1.00 69.96 ? 107 ASP C CG 1 ? ? +9151 ATOM O OD1 . ASP C 3 85 ? 44.815 -68.904 -83.990 1.00 70.17 ? 107 ASP C OD1 1 ? ? +9152 ATOM O OD2 . ASP C 3 85 ? 46.889 -68.365 -84.365 1.00 70.65 ? 107 ASP C OD2 1 ? ? +9153 ATOM C C . ASP C 3 85 ? 43.427 -66.629 -82.614 1.00 67.65 ? 107 ASP C C 1 ? ? +9154 ATOM O O . ASP C 3 85 ? 44.076 -66.174 -81.673 1.00 67.62 ? 107 ASP C O 1 ? ? +9155 ATOM N N . THR C 3 86 ? 42.379 -67.442 -82.446 1.00 66.86 ? 108 THR C N 1 ? ? +9156 ATOM C CA . THR C 3 86 ? 41.915 -67.827 -81.123 1.00 66.01 ? 108 THR C CA 1 ? ? +9157 ATOM C CB . THR C 3 86 ? 40.419 -68.185 -81.159 1.00 65.46 ? 108 THR C CB 1 ? ? +9158 ATOM O OG1 . THR C 3 86 ? 40.257 -69.314 -82.005 1.00 66.03 ? 108 THR C OG1 1 ? ? +9159 ATOM C CG2 . THR C 3 86 ? 39.557 -67.048 -81.646 1.00 64.91 ? 108 THR C CG2 1 ? ? +9160 ATOM C C . THR C 3 86 ? 42.687 -68.997 -80.516 1.00 66.16 ? 108 THR C C 1 ? ? +9161 ATOM O O . THR C 3 86 ? 42.466 -69.358 -79.363 1.00 65.72 ? 108 THR C O 1 ? ? +9162 ATOM N N . PHE C 3 87 ? 43.582 -69.608 -81.292 1.00 66.83 ? 109 PHE C N 1 ? ? +9163 ATOM C CA . PHE C 3 87 ? 44.250 -70.821 -80.843 1.00 67.34 ? 109 PHE C CA 1 ? ? +9164 ATOM C CB . PHE C 3 87 ? 45.075 -71.448 -81.975 1.00 68.46 ? 109 PHE C CB 1 ? ? +9165 ATOM C CG . PHE C 3 87 ? 45.628 -72.796 -81.580 1.00 69.35 ? 109 PHE C CG 1 ? ? +9166 ATOM C CD1 . PHE C 3 87 ? 44.776 -73.877 -81.347 1.00 69.44 ? 109 PHE C CD1 1 ? ? +9167 ATOM C CD2 . PHE C 3 87 ? 47.000 -72.978 -81.402 1.00 70.02 ? 109 PHE C CD2 1 ? ? +9168 ATOM C CE1 . PHE C 3 87 ? 45.285 -75.109 -80.955 1.00 70.06 ? 109 PHE C CE1 1 ? ? +9169 ATOM C CE2 . PHE C 3 87 ? 47.508 -74.214 -81.016 1.00 70.65 ? 109 PHE C CE2 1 ? ? +9170 ATOM C CZ . PHE C 3 87 ? 46.651 -75.271 -80.790 1.00 70.71 ? 109 PHE C CZ 1 ? ? +9171 ATOM C C . PHE C 3 87 ? 45.126 -70.607 -79.605 1.00 66.93 ? 109 PHE C C 1 ? ? +9172 ATOM O O . PHE C 3 87 ? 45.116 -71.439 -78.693 1.00 66.99 ? 109 PHE C O 1 ? ? +9173 ATOM N N . PRO C 3 88 ? 45.907 -69.503 -79.508 1.00 66.26 ? 110 PRO C N 1 ? ? +9174 ATOM C CA . PRO C 3 88 ? 46.646 -69.209 -78.283 1.00 65.78 ? 110 PRO C CA 1 ? ? +9175 ATOM C CB . PRO C 3 88 ? 47.279 -67.846 -78.583 1.00 65.79 ? 110 PRO C CB 1 ? ? +9176 ATOM C CG . PRO C 3 88 ? 47.373 -67.796 -80.074 1.00 66.36 ? 110 PRO C CG 1 ? ? +9177 ATOM C CD . PRO C 3 88 ? 46.131 -68.485 -80.548 1.00 66.29 ? 110 PRO C CD 1 ? ? +9178 ATOM C C . PRO C 3 88 ? 45.765 -69.192 -77.034 1.00 64.81 ? 110 PRO C C 1 ? ? +9179 ATOM O O . PRO C 3 88 ? 46.180 -69.676 -75.987 1.00 64.80 ? 110 PRO C O 1 ? ? +9180 ATOM N N . PHE C 3 89 ? 44.541 -68.663 -77.147 1.00 63.96 ? 111 PHE C N 1 ? ? +9181 ATOM C CA . PHE C 3 89 ? 43.620 -68.660 -76.018 1.00 63.15 ? 111 PHE C CA 1 ? ? +9182 ATOM C CB . PHE C 3 89 ? 42.335 -67.871 -76.314 1.00 62.48 ? 111 PHE C CB 1 ? ? +9183 ATOM C CG . PHE C 3 89 ? 42.564 -66.478 -76.850 1.00 62.23 ? 111 PHE C CG 1 ? ? +9184 ATOM C CD1 . PHE C 3 89 ? 43.534 -65.659 -76.307 1.00 62.13 ? 111 PHE C CD1 1 ? ? +9185 ATOM C CD2 . PHE C 3 89 ? 41.806 -65.988 -77.893 1.00 62.19 ? 111 PHE C CD2 1 ? ? +9186 ATOM C CE1 . PHE C 3 89 ? 43.745 -64.386 -76.810 1.00 61.94 ? 111 PHE C CE1 1 ? ? +9187 ATOM C CE2 . PHE C 3 89 ? 42.027 -64.715 -78.391 1.00 62.03 ? 111 PHE C CE2 1 ? ? +9188 ATOM C CZ . PHE C 3 89 ? 42.987 -63.921 -77.839 1.00 61.89 ? 111 PHE C CZ 1 ? ? +9189 ATOM C C . PHE C 3 89 ? 43.269 -70.085 -75.601 1.00 63.31 ? 111 PHE C C 1 ? ? +9190 ATOM O O . PHE C 3 89 ? 43.278 -70.412 -74.412 1.00 63.15 ? 111 PHE C O 1 ? ? +9191 ATOM N N . PHE C 3 90 ? 42.983 -70.932 -76.596 1.00 63.68 ? 112 PHE C N 1 ? ? +9192 ATOM C CA . PHE C 3 90 ? 42.716 -72.341 -76.355 1.00 63.90 ? 112 PHE C CA 1 ? ? +9193 ATOM C CB . PHE C 3 90 ? 42.458 -73.050 -77.684 1.00 64.51 ? 112 PHE C CB 1 ? ? +9194 ATOM C CG . PHE C 3 90 ? 41.950 -74.458 -77.532 1.00 64.91 ? 112 PHE C CG 1 ? ? +9195 ATOM C CD1 . PHE C 3 90 ? 40.731 -74.709 -76.928 1.00 64.58 ? 112 PHE C CD1 1 ? ? +9196 ATOM C CD2 . PHE C 3 90 ? 42.689 -75.529 -77.991 1.00 65.76 ? 112 PHE C CD2 1 ? ? +9197 ATOM C CE1 . PHE C 3 90 ? 40.259 -76.006 -76.792 1.00 64.92 ? 112 PHE C CE1 1 ? ? +9198 ATOM C CE2 . PHE C 3 90 ? 42.217 -76.822 -77.852 1.00 66.11 ? 112 PHE C CE2 1 ? ? +9199 ATOM C CZ . PHE C 3 90 ? 41.003 -77.053 -77.255 1.00 65.70 ? 112 PHE C CZ 1 ? ? +9200 ATOM C C . PHE C 3 90 ? 43.860 -73.032 -75.614 1.00 64.16 ? 112 PHE C C 1 ? ? +9201 ATOM O O . PHE C 3 90 ? 43.631 -73.743 -74.637 1.00 63.98 ? 112 PHE C O 1 ? ? +9202 ATOM N N . VAL C 3 91 ? 45.090 -72.814 -76.092 1.00 64.50 ? 113 VAL C N 1 ? ? +9203 ATOM C CA . VAL C 3 91 ? 46.264 -73.437 -75.501 1.00 64.97 ? 113 VAL C CA 1 ? ? +9204 ATOM C CB . VAL C 3 91 ? 47.546 -73.074 -76.277 1.00 65.62 ? 113 VAL C CB 1 ? ? +9205 ATOM C CG1 . VAL C 3 91 ? 48.801 -73.403 -75.468 1.00 66.09 ? 113 VAL C CG1 1 ? ? +9206 ATOM C CG2 . VAL C 3 91 ? 47.564 -73.767 -77.633 1.00 66.28 ? 113 VAL C CG2 1 ? ? +9207 ATOM C C . VAL C 3 91 ? 46.415 -73.068 -74.028 1.00 64.39 ? 113 VAL C C 1 ? ? +9208 ATOM O O . VAL C 3 91 ? 46.573 -73.951 -73.186 1.00 64.68 ? 113 VAL C O 1 ? ? +9209 ATOM N N . VAL C 3 92 ? 46.383 -71.761 -73.737 1.00 63.64 ? 114 VAL C N 1 ? ? +9210 ATOM C CA . VAL C 3 92 ? 46.566 -71.265 -72.383 1.00 63.00 ? 114 VAL C CA 1 ? ? +9211 ATOM C CB . VAL C 3 92 ? 46.477 -69.725 -72.297 1.00 62.37 ? 114 VAL C CB 1 ? ? +9212 ATOM C CG1 . VAL C 3 92 ? 46.599 -69.257 -70.863 1.00 61.86 ? 114 VAL C CG1 1 ? ? +9213 ATOM C CG2 . VAL C 3 92 ? 47.523 -69.052 -73.173 1.00 62.81 ? 114 VAL C CG2 1 ? ? +9214 ATOM C C . VAL C 3 92 ? 45.544 -71.915 -71.457 1.00 62.52 ? 114 VAL C C 1 ? ? +9215 ATOM O O . VAL C 3 92 ? 45.883 -72.298 -70.339 1.00 62.61 ? 114 VAL C O 1 ? ? +9216 ATOM N N . GLY C 3 93 ? 44.299 -72.043 -71.935 1.00 62.02 ? 115 GLY C N 1 ? ? +9217 ATOM C CA . GLY C 3 93 ? 43.244 -72.668 -71.158 1.00 61.59 ? 115 GLY C CA 1 ? ? +9218 ATOM C C . GLY C 3 93 ? 43.493 -74.144 -70.875 1.00 62.03 ? 115 GLY C C 1 ? ? +9219 ATOM O O . GLY C 3 93 ? 43.451 -74.568 -69.726 1.00 61.83 ? 115 GLY C O 1 ? ? +9220 ATOM N N . VAL C 3 94 ? 43.758 -74.907 -71.937 1.00 62.71 ? 116 VAL C N 1 ? ? +9221 ATOM C CA . VAL C 3 94 ? 44.007 -76.339 -71.832 1.00 63.39 ? 116 VAL C CA 1 ? ? +9222 ATOM C CB . VAL C 3 94 ? 44.223 -76.968 -73.237 1.00 64.04 ? 116 VAL C CB 1 ? ? +9223 ATOM C CG1 . VAL C 3 94 ? 44.775 -78.387 -73.143 1.00 64.78 ? 116 VAL C CG1 1 ? ? +9224 ATOM C CG2 . VAL C 3 94 ? 42.929 -76.954 -74.044 1.00 63.84 ? 116 VAL C CG2 1 ? ? +9225 ATOM C C . VAL C 3 94 ? 45.175 -76.669 -70.904 1.00 63.75 ? 116 VAL C C 1 ? ? +9226 ATOM O O . VAL C 3 94 ? 45.037 -77.531 -70.039 1.00 63.88 ? 116 VAL C O 1 ? ? +9227 ATOM N N . VAL C 3 95 ? 46.317 -75.988 -71.088 1.00 64.00 ? 117 VAL C N 1 ? ? +9228 ATOM C CA . VAL C 3 95 ? 47.526 -76.340 -70.357 1.00 64.55 ? 117 VAL C CA 1 ? ? +9229 ATOM C CB . VAL C 3 95 ? 48.791 -75.615 -70.889 1.00 65.05 ? 117 VAL C CB 1 ? ? +9230 ATOM C CG1 . VAL C 3 95 ? 50.030 -76.025 -70.106 1.00 65.70 ? 117 VAL C CG1 1 ? ? +9231 ATOM C CG2 . VAL C 3 95 ? 49.005 -75.874 -72.382 1.00 65.59 ? 117 VAL C CG2 1 ? ? +9232 ATOM C C . VAL C 3 95 ? 47.310 -76.088 -68.865 1.00 64.00 ? 117 VAL C C 1 ? ? +9233 ATOM O O . VAL C 3 95 ? 47.703 -76.904 -68.037 1.00 64.22 ? 117 VAL C O 1 ? ? +9234 ATOM N N . HIS C 3 96 ? 46.665 -74.966 -68.527 1.00 63.25 ? 118 HIS C N 1 ? ? +9235 ATOM C CA . HIS C 3 96 ? 46.254 -74.712 -67.153 1.00 62.78 ? 118 HIS C CA 1 ? ? +9236 ATOM C CB . HIS C 3 96 ? 45.514 -73.389 -67.034 1.00 61.93 ? 118 HIS C CB 1 ? ? +9237 ATOM C CG . HIS C 3 96 ? 46.439 -72.221 -66.940 1.00 61.82 ? 118 HIS C CG 1 ? ? +9238 ATOM N ND1 . HIS C 3 96 ? 47.050 -71.709 -68.052 1.00 62.10 ? 118 HIS C ND1 1 ? ? +9239 ATOM C CE1 . HIS C 3 96 ? 47.802 -70.707 -67.626 1.00 61.93 ? 118 HIS C CE1 1 ? ? +9240 ATOM N NE2 . HIS C 3 96 ? 47.709 -70.568 -66.303 1.00 61.56 ? 118 HIS C NE2 1 ? ? +9241 ATOM C CD2 . HIS C 3 96 ? 46.836 -71.524 -65.856 1.00 61.53 ? 118 HIS C CD2 1 ? ? +9242 ATOM C C . HIS C 3 96 ? 45.378 -75.819 -66.577 1.00 62.87 ? 118 HIS C C 1 ? ? +9243 ATOM O O . HIS C 3 96 ? 45.633 -76.318 -65.485 1.00 63.08 ? 118 HIS C O 1 ? ? +9244 ATOM N N . LEU C 3 97 ? 44.355 -76.211 -67.334 1.00 62.86 ? 119 LEU C N 1 ? ? +9245 ATOM C CA . LEU C 3 97 ? 43.417 -77.216 -66.871 1.00 62.93 ? 119 LEU C CA 1 ? ? +9246 ATOM C CB . LEU C 3 97 ? 42.258 -77.316 -67.878 1.00 62.75 ? 119 LEU C CB 1 ? ? +9247 ATOM C CG . LEU C 3 97 ? 41.131 -78.258 -67.508 1.00 62.74 ? 119 LEU C CG 1 ? ? +9248 ATOM C CD1 . LEU C 3 97 ? 40.490 -77.857 -66.202 1.00 62.14 ? 119 LEU C CD1 1 ? ? +9249 ATOM C CD2 . LEU C 3 97 ? 40.099 -78.308 -68.603 1.00 62.69 ? 119 LEU C CD2 1 ? ? +9250 ATOM C C . LEU C 3 97 ? 44.096 -78.569 -66.653 1.00 63.76 ? 119 LEU C C 1 ? ? +9251 ATOM O O . LEU C 3 97 ? 43.841 -79.224 -65.644 1.00 63.78 ? 119 LEU C O 1 ? ? +9252 ATOM N N . ILE C 3 98 ? 44.957 -78.982 -67.593 1.00 64.55 ? 120 ILE C N 1 ? ? +9253 ATOM C CA . ILE C 3 98 ? 45.704 -80.222 -67.452 1.00 65.49 ? 120 ILE C CA 1 ? ? +9254 ATOM C CB . ILE C 3 98 ? 46.509 -80.570 -68.743 1.00 66.26 ? 120 ILE C CB 1 ? ? +9255 ATOM C CG1 . ILE C 3 98 ? 45.578 -80.854 -69.943 1.00 66.32 ? 120 ILE C CG1 1 ? ? +9256 ATOM C CG2 . ILE C 3 98 ? 47.492 -81.737 -68.516 1.00 67.10 ? 120 ILE C CG2 1 ? ? +9257 ATOM C CD1 . ILE C 3 98 ? 44.551 -81.951 -69.700 1.00 66.44 ? 120 ILE C CD1 1 ? ? +9258 ATOM C C . ILE C 3 98 ? 46.626 -80.167 -66.236 1.00 65.67 ? 120 ILE C C 1 ? ? +9259 ATOM O O . ILE C 3 98 ? 46.712 -81.135 -65.481 1.00 65.98 ? 120 ILE C O 1 ? ? +9260 ATOM N N . SER C 3 99 ? 47.310 -79.030 -66.057 1.00 65.53 ? 121 SER C N 1 ? ? +9261 ATOM C CA . SER C 3 99 ? 48.260 -78.866 -64.966 1.00 65.75 ? 121 SER C CA 1 ? ? +9262 ATOM C CB . SER C 3 99 ? 49.030 -77.557 -65.103 1.00 65.52 ? 121 SER C CB 1 ? ? +9263 ATOM O OG . SER C 3 99 ? 49.819 -77.580 -66.277 1.00 66.06 ? 121 SER C OG 1 ? ? +9264 ATOM C C . SER C 3 99 ? 47.601 -78.927 -63.590 1.00 65.36 ? 121 SER C C 1 ? ? +9265 ATOM O O . SER C 3 99 ? 48.256 -79.336 -62.626 1.00 65.84 ? 121 SER C O 1 ? ? +9266 ATOM N N . SER C 3 100 ? 46.320 -78.524 -63.516 1.00 64.55 ? 122 SER C N 1 ? ? +9267 ATOM C CA . SER C 3 100 ? 45.578 -78.534 -62.267 1.00 64.12 ? 122 SER C CA 1 ? ? +9268 ATOM C CB . SER C 3 100 ? 44.191 -77.906 -62.447 1.00 63.44 ? 122 SER C CB 1 ? ? +9269 ATOM O OG . SER C 3 100 ? 43.322 -78.707 -63.234 1.00 63.63 ? 122 SER C OG 1 ? ? +9270 ATOM C C . SER C 3 100 ? 45.429 -79.940 -61.691 1.00 64.70 ? 122 SER C C 1 ? ? +9271 ATOM O O . SER C 3 100 ? 45.448 -80.122 -60.474 1.00 64.64 ? 122 SER C O 1 ? ? +9272 ATOM N N . ALA C 3 101 ? 45.268 -80.928 -62.581 1.00 65.29 ? 123 ALA C N 1 ? ? +9273 ATOM C CA . ALA C 3 101 ? 45.177 -82.321 -62.185 1.00 65.88 ? 123 ALA C CA 1 ? ? +9274 ATOM C CB . ALA C 3 101 ? 44.871 -83.166 -63.405 1.00 66.38 ? 123 ALA C CB 1 ? ? +9275 ATOM C C . ALA C 3 101 ? 46.449 -82.820 -61.491 1.00 66.58 ? 123 ALA C C 1 ? ? +9276 ATOM O O . ALA C 3 101 ? 46.368 -83.569 -60.518 1.00 66.84 ? 123 ALA C O 1 ? ? +9277 ATOM N N . VAL C 3 102 ? 47.619 -82.407 -62.000 1.00 66.87 ? 124 VAL C N 1 ? ? +9278 ATOM C CA . VAL C 3 102 ? 48.887 -82.759 -61.388 1.00 67.47 ? 124 VAL C CA 1 ? ? +9279 ATOM C CB . VAL C 3 102 ? 50.092 -82.285 -62.229 1.00 67.83 ? 124 VAL C CB 1 ? ? +9280 ATOM C CG1 . VAL C 3 102 ? 51.405 -82.637 -61.526 1.00 68.45 ? 124 VAL C CG1 1 ? ? +9281 ATOM C CG2 . VAL C 3 102 ? 50.062 -82.858 -63.648 1.00 68.24 ? 124 VAL C CG2 1 ? ? +9282 ATOM C C . VAL C 3 102 ? 48.965 -82.196 -59.969 1.00 67.20 ? 124 VAL C C 1 ? ? +9283 ATOM O O . VAL C 3 102 ? 49.305 -82.916 -59.034 1.00 67.58 ? 124 VAL C O 1 ? ? +9284 ATOM N N . LEU C 3 103 ? 48.649 -80.906 -59.815 1.00 66.61 ? 125 LEU C N 1 ? ? +9285 ATOM C CA . LEU C 3 103 ? 48.678 -80.252 -58.514 1.00 66.37 ? 125 LEU C CA 1 ? ? +9286 ATOM C CB . LEU C 3 103 ? 48.447 -78.727 -58.655 1.00 65.53 ? 125 LEU C CB 1 ? ? +9287 ATOM C CG . LEU C 3 103 ? 49.480 -77.938 -59.447 1.00 65.69 ? 125 LEU C CG 1 ? ? +9288 ATOM C CD1 . LEU C 3 103 ? 49.183 -76.472 -59.401 1.00 64.89 ? 125 LEU C CD1 1 ? ? +9289 ATOM C CD2 . LEU C 3 103 ? 50.896 -78.189 -58.940 1.00 66.40 ? 125 LEU C CD2 1 ? ? +9290 ATOM C C . LEU C 3 103 ? 47.624 -80.834 -57.571 1.00 66.43 ? 125 LEU C C 1 ? ? +9291 ATOM O O . LEU C 3 103 ? 47.901 -81.085 -56.399 1.00 66.47 ? 125 LEU C O 1 ? ? +9292 ATOM N N . GLY C 3 104 ? 46.402 -81.026 -58.093 1.00 66.50 ? 126 GLY C N 1 ? ? +9293 ATOM C CA . GLY C 3 104 ? 45.339 -81.679 -57.343 1.00 66.60 ? 126 GLY C CA 1 ? ? +9294 ATOM C C . GLY C 3 104 ? 45.784 -83.040 -56.809 1.00 67.74 ? 126 GLY C C 1 ? ? +9295 ATOM O O . GLY C 3 104 ? 45.528 -83.379 -55.656 1.00 67.88 ? 126 GLY C O 1 ? ? +9296 ATOM N N . PHE C 3 105 ? 46.472 -83.805 -57.663 1.00 68.78 ? 127 PHE C N 1 ? ? +9297 ATOM C CA . PHE C 3 105 ? 46.965 -85.125 -57.306 1.00 69.91 ? 127 PHE C CA 1 ? ? +9298 ATOM C CB . PHE C 3 105 ? 47.585 -85.801 -58.536 1.00 70.93 ? 127 PHE C CB 1 ? ? +9299 ATOM C CG . PHE C 3 105 ? 47.948 -87.242 -58.312 1.00 72.25 ? 127 PHE C CG 1 ? ? +9300 ATOM C CD1 . PHE C 3 105 ? 49.153 -87.584 -57.722 1.00 73.27 ? 127 PHE C CD1 1 ? ? +9301 ATOM C CD2 . PHE C 3 105 ? 47.068 -88.254 -58.654 1.00 72.64 ? 127 PHE C CD2 1 ? ? +9302 ATOM C CE1 . PHE C 3 105 ? 49.481 -88.917 -57.501 1.00 74.36 ? 127 PHE C CE1 1 ? ? +9303 ATOM C CE2 . PHE C 3 105 ? 47.388 -89.580 -58.420 1.00 73.69 ? 127 PHE C CE2 1 ? ? +9304 ATOM C CZ . PHE C 3 105 ? 48.592 -89.907 -57.846 1.00 74.56 ? 127 PHE C CZ 1 ? ? +9305 ATOM C C . PHE C 3 105 ? 47.976 -85.072 -56.161 1.00 70.00 ? 127 PHE C C 1 ? ? +9306 ATOM O O . PHE C 3 105 ? 47.871 -85.827 -55.196 1.00 70.30 ? 127 PHE C O 1 ? ? +9307 ATOM N N . GLY C 3 106 ? 48.966 -84.187 -56.293 1.00 69.81 ? 128 GLY C N 1 ? ? +9308 ATOM C CA . GLY C 3 106 ? 49.949 -83.990 -55.242 1.00 70.00 ? 128 GLY C CA 1 ? ? +9309 ATOM C C . GLY C 3 106 ? 49.291 -83.487 -53.962 1.00 69.25 ? 128 GLY C C 1 ? ? +9310 ATOM O O . GLY C 3 106 ? 49.621 -83.936 -52.866 1.00 69.56 ? 128 GLY C O 1 ? ? +9311 ATOM N N . GLY C 3 107 ? 48.345 -82.555 -54.132 1.00 68.26 ? 129 GLY C N 1 ? ? +9312 ATOM C CA . GLY C 3 107 ? 47.607 -81.988 -53.019 1.00 67.42 ? 129 GLY C CA 1 ? ? +9313 ATOM C C . GLY C 3 107 ? 46.909 -83.062 -52.194 1.00 67.55 ? 129 GLY C C 1 ? ? +9314 ATOM O O . GLY C 3 107 ? 47.068 -83.116 -50.979 1.00 67.63 ? 129 GLY C O 1 ? ? +9315 ATOM N N . VAL C 3 108 ? 46.155 -83.929 -52.878 1.00 67.64 ? 130 VAL C N 1 ? ? +9316 ATOM C CA . VAL C 3 108 ? 45.390 -84.965 -52.206 1.00 67.83 ? 130 VAL C CA 1 ? ? +9317 ATOM C CB . VAL C 3 108 ? 44.351 -85.581 -53.164 1.00 67.84 ? 130 VAL C CB 1 ? ? +9318 ATOM C CG1 . VAL C 3 108 ? 43.643 -86.780 -52.537 1.00 68.24 ? 130 VAL C CG1 1 ? ? +9319 ATOM C CG2 . VAL C 3 108 ? 43.336 -84.525 -53.609 1.00 67.02 ? 130 VAL C CG2 1 ? ? +9320 ATOM C C . VAL C 3 108 ? 46.317 -86.014 -51.593 1.00 68.68 ? 130 VAL C C 1 ? ? +9321 ATOM O O . VAL C 3 108 ? 46.059 -86.507 -50.494 1.00 68.74 ? 130 VAL C O 1 ? ? +9322 ATOM N N . TYR C 3 109 ? 47.405 -86.344 -52.296 1.00 69.35 ? 131 TYR C N 1 ? ? +9323 ATOM C CA . TYR C 3 109 ? 48.395 -87.258 -51.750 1.00 70.37 ? 131 TYR C CA 1 ? ? +9324 ATOM C CB . TYR C 3 109 ? 49.557 -87.472 -52.730 1.00 71.11 ? 131 TYR C CB 1 ? ? +9325 ATOM C CG . TYR C 3 109 ? 50.754 -88.083 -52.046 1.00 72.10 ? 131 TYR C CG 1 ? ? +9326 ATOM C CD1 . TYR C 3 109 ? 50.717 -89.385 -51.570 1.00 72.95 ? 131 TYR C CD1 1 ? ? +9327 ATOM C CD2 . TYR C 3 109 ? 51.896 -87.338 -51.808 1.00 72.25 ? 131 TYR C CD2 1 ? ? +9328 ATOM C CE1 . TYR C 3 109 ? 51.799 -89.940 -50.903 1.00 73.84 ? 131 TYR C CE1 1 ? ? +9329 ATOM C CE2 . TYR C 3 109 ? 52.987 -87.883 -51.150 1.00 73.17 ? 131 TYR C CE2 1 ? ? +9330 ATOM C CZ . TYR C 3 109 ? 52.936 -89.183 -50.696 1.00 73.95 ? 131 TYR C CZ 1 ? ? +9331 ATOM O OH . TYR C 3 109 ? 54.022 -89.711 -50.042 1.00 75.03 ? 131 TYR C OH 1 ? ? +9332 ATOM C C . TYR C 3 109 ? 48.924 -86.766 -50.400 1.00 70.28 ? 131 TYR C C 1 ? ? +9333 ATOM O O . TYR C 3 109 ? 48.832 -87.463 -49.393 1.00 70.57 ? 131 TYR C O 1 ? ? +9334 ATOM N N . HIS C 3 110 ? 49.485 -85.555 -50.381 1.00 69.90 ? 132 HIS C N 1 ? ? +9335 ATOM C CA . HIS C 3 110 ? 50.055 -85.011 -49.161 1.00 69.96 ? 132 HIS C CA 1 ? ? +9336 ATOM C CB . HIS C 3 110 ? 50.751 -83.697 -49.452 1.00 69.50 ? 132 HIS C CB 1 ? ? +9337 ATOM C CG . HIS C 3 110 ? 52.108 -83.889 -50.040 1.00 70.21 ? 132 HIS C CG 1 ? ? +9338 ATOM N ND1 . HIS C 3 110 ? 53.120 -84.471 -49.307 1.00 71.00 ? 132 HIS C ND1 1 ? ? +9339 ATOM C CE1 . HIS C 3 110 ? 54.173 -84.494 -50.103 1.00 71.57 ? 132 HIS C CE1 1 ? ? +9340 ATOM N NE2 . HIS C 3 110 ? 53.881 -83.964 -51.300 1.00 71.20 ? 132 HIS C NE2 1 ? ? +9341 ATOM C CD2 . HIS C 3 110 ? 52.568 -83.575 -51.266 1.00 70.27 ? 132 HIS C CD2 1 ? ? +9342 ATOM C C . HIS C 3 110 ? 49.013 -84.811 -48.067 1.00 69.75 ? 132 HIS C C 1 ? ? +9343 ATOM O O . HIS C 3 110 ? 49.312 -84.964 -46.886 1.00 69.97 ? 132 HIS C O 1 ? ? +9344 ATOM N N . ALA C 3 111 ? 47.789 -84.468 -48.478 1.00 69.48 ? 133 ALA C N 1 ? ? +9345 ATOM C CA . ALA C 3 111 ? 46.730 -84.128 -47.544 1.00 69.15 ? 133 ALA C CA 1 ? ? +9346 ATOM C CB . ALA C 3 111 ? 45.598 -83.430 -48.281 1.00 68.40 ? 133 ALA C CB 1 ? ? +9347 ATOM C C . ALA C 3 111 ? 46.180 -85.317 -46.762 1.00 69.96 ? 133 ALA C C 1 ? ? +9348 ATOM O O . ALA C 3 111 ? 45.805 -85.160 -45.605 1.00 69.74 ? 133 ALA C O 1 ? ? +9349 ATOM N N . ILE C 3 112 ? 46.106 -86.500 -47.384 1.00 71.22 ? 134 ILE C N 1 ? ? +9350 ATOM C CA . ILE C 3 112 ? 45.515 -87.641 -46.700 1.00 72.35 ? 134 ILE C CA 1 ? ? +9351 ATOM C CB . ILE C 3 112 ? 44.086 -87.917 -47.260 1.00 72.32 ? 134 ILE C CB 1 ? ? +9352 ATOM C CG1 . ILE C 3 112 ? 44.114 -88.619 -48.607 1.00 73.19 ? 134 ILE C CG1 1 ? ? +9353 ATOM C CG2 . ILE C 3 112 ? 43.237 -86.640 -47.346 1.00 71.18 ? 134 ILE C CG2 1 ? ? +9354 ATOM C CD1 . ILE C 3 112 ? 42.713 -89.061 -49.043 1.00 73.32 ? 134 ILE C CD1 1 ? ? +9355 ATOM C C . ILE C 3 112 ? 46.348 -88.922 -46.697 1.00 73.91 ? 134 ILE C C 1 ? ? +9356 ATOM O O . ILE C 3 112 ? 46.055 -89.822 -45.918 1.00 74.36 ? 134 ILE C O 1 ? ? +9357 ATOM N N . ARG C 3 113 ? 47.387 -88.998 -47.540 1.00 75.03 ? 135 ARG C N 1 ? ? +9358 ATOM C CA . ARG C 3 113 ? 48.174 -90.214 -47.661 1.00 76.76 ? 135 ARG C CA 1 ? ? +9359 ATOM C CB . ARG C 3 113 ? 48.180 -90.694 -49.126 1.00 77.66 ? 135 ARG C CB 1 ? ? +9360 ATOM C CG . ARG C 3 113 ? 48.678 -92.126 -49.295 1.00 79.22 ? 135 ARG C CG 1 ? ? +9361 ATOM C CD . ARG C 3 113 ? 47.731 -93.070 -48.611 1.00 80.12 ? 135 ARG C CD 1 ? ? +9362 ATOM N NE . ARG C 3 113 ? 48.242 -94.432 -48.558 1.00 82.23 ? 135 ARG C NE 1 ? ? +9363 ATOM C CZ . ARG C 3 113 ? 48.572 -95.060 -47.436 1.00 83.90 ? 135 ARG C CZ 1 ? ? +9364 ATOM N NH1 . ARG C 3 113 ? 48.203 -94.599 -46.250 1.00 83.95 ? 135 ARG C NH1 1 ? ? +9365 ATOM N NH2 . ARG C 3 113 ? 49.290 -96.180 -47.504 1.00 85.08 ? 135 ARG C NH2 1 ? ? +9366 ATOM C C . ARG C 3 113 ? 49.622 -90.083 -47.196 1.00 77.34 ? 135 ARG C C 1 ? ? +9367 ATOM O O . ARG C 3 113 ? 50.156 -90.994 -46.571 1.00 78.10 ? 135 ARG C O 1 ? ? +9368 ATOM N N . GLY C 3 114 ? 50.257 -88.958 -47.538 1.00 77.01 ? 136 GLY C N 1 ? ? +9369 ATOM C CA . GLY C 3 114 ? 51.667 -88.768 -47.259 1.00 77.51 ? 136 GLY C CA 1 ? ? +9370 ATOM C C . GLY C 3 114 ? 51.927 -88.634 -45.763 1.00 77.62 ? 136 GLY C C 1 ? ? +9371 ATOM O O . GLY C 3 114 ? 51.006 -88.720 -44.955 1.00 77.29 ? 136 GLY C O 1 ? ? +9372 ATOM N N . PRO C 3 115 ? 53.195 -88.426 -45.349 1.00 78.21 ? 137 PRO C N 1 ? ? +9373 ATOM C CA . PRO C 3 115 ? 53.500 -88.202 -43.939 1.00 78.36 ? 137 PRO C CA 1 ? ? +9374 ATOM C CB . PRO C 3 115 ? 55.023 -88.092 -43.920 1.00 79.18 ? 137 PRO C CB 1 ? ? +9375 ATOM C CG . PRO C 3 115 ? 55.405 -87.723 -45.341 1.00 79.09 ? 137 PRO C CG 1 ? ? +9376 ATOM C CD . PRO C 3 115 ? 54.379 -88.362 -46.221 1.00 78.75 ? 137 PRO C CD 1 ? ? +9377 ATOM C C . PRO C 3 115 ? 52.799 -86.937 -43.457 1.00 77.33 ? 137 PRO C C 1 ? ? +9378 ATOM O O . PRO C 3 115 ? 52.718 -85.956 -44.193 1.00 76.64 ? 137 PRO C O 1 ? ? +9379 ATOM N N . GLU C 3 116 ? 52.284 -86.985 -42.227 1.00 77.32 ? 138 GLU C N 1 ? ? +9380 ATOM C CA . GLU C 3 116 ? 51.557 -85.866 -41.652 1.00 76.68 ? 138 GLU C CA 1 ? ? +9381 ATOM C CB . GLU C 3 116 ? 50.759 -86.305 -40.424 1.00 77.25 ? 138 GLU C CB 1 ? ? +9382 ATOM C CG . GLU C 3 116 ? 49.465 -86.981 -40.766 1.00 77.47 ? 138 GLU C CG 1 ? ? +9383 ATOM C CD . GLU C 3 116 ? 48.555 -87.107 -39.572 1.00 77.97 ? 138 GLU C CD 1 ? ? +9384 ATOM O OE1 . GLU C 3 116 ? 49.021 -86.887 -38.427 1.00 78.56 ? 138 GLU C OE1 1 ? ? +9385 ATOM O OE2 . GLU C 3 116 ? 47.360 -87.401 -39.791 1.00 78.41 ? 138 GLU C OE2 1 ? ? +9386 ATOM C C . GLU C 3 116 ? 52.480 -84.723 -41.252 1.00 76.08 ? 138 GLU C C 1 ? ? +9387 ATOM O O . GLU C 3 116 ? 52.110 -83.562 -41.383 1.00 75.36 ? 138 GLU C O 1 ? ? +9388 ATOM N N . THR C 3 117 ? 53.657 -85.074 -40.725 1.00 76.55 ? 139 THR C N 1 ? ? +9389 ATOM C CA . THR C 3 117 ? 54.709 -84.111 -40.443 1.00 76.33 ? 139 THR C CA 1 ? ? +9390 ATOM C CB . THR C 3 117 ? 55.049 -84.090 -38.943 1.00 76.46 ? 139 THR C CB 1 ? ? +9391 ATOM O OG1 . THR C 3 117 ? 55.648 -85.327 -38.561 1.00 77.22 ? 139 THR C OG1 1 ? ? +9392 ATOM C CG2 . THR C 3 117 ? 53.828 -83.835 -38.076 1.00 75.71 ? 139 THR C CG2 1 ? ? +9393 ATOM C C . THR C 3 117 ? 55.909 -84.469 -41.315 1.00 76.95 ? 139 THR C C 1 ? ? +9394 ATOM O O . THR C 3 117 ? 56.129 -85.641 -41.608 1.00 77.68 ? 139 THR C O 1 ? ? +9395 ATOM N N . LEU C 3 118 ? 56.664 -83.451 -41.737 1.00 76.70 ? 140 LEU C N 1 ? ? +9396 ATOM C CA . LEU C 3 118 ? 57.766 -83.650 -42.661 1.00 77.36 ? 140 LEU C CA 1 ? ? +9397 ATOM C CB . LEU C 3 118 ? 57.757 -82.545 -43.720 1.00 76.58 ? 140 LEU C CB 1 ? ? +9398 ATOM C CG . LEU C 3 118 ? 56.523 -82.448 -44.600 1.00 75.74 ? 140 LEU C CG 1 ? ? +9399 ATOM C CD1 . LEU C 3 118 ? 56.726 -81.446 -45.710 1.00 75.25 ? 140 LEU C CD1 1 ? ? +9400 ATOM C CD2 . LEU C 3 118 ? 56.180 -83.781 -45.246 1.00 76.12 ? 140 LEU C CD2 1 ? ? +9401 ATOM C C . LEU C 3 118 ? 59.127 -83.660 -41.973 1.00 78.57 ? 140 LEU C C 1 ? ? +9402 ATOM O O . LEU C 3 118 ? 60.124 -83.995 -42.605 1.00 79.11 ? 140 LEU C O 1 ? ? +9403 ATOM N N . GLU C 3 119 ? 59.160 -83.313 -40.682 1.00 78.98 ? 141 GLU C N 1 ? ? +9404 ATOM C CA . GLU C 3 119 ? 60.416 -83.057 -39.996 1.00 79.92 ? 141 GLU C CA 1 ? ? +9405 ATOM C CB . GLU C 3 119 ? 60.179 -82.305 -38.681 1.00 78.80 ? 141 GLU C CB 1 ? ? +9406 ATOM C CG . GLU C 3 119 ? 59.716 -80.872 -38.882 1.00 77.33 ? 141 GLU C CG 1 ? ? +9407 ATOM C CD . GLU C 3 119 ? 58.329 -80.733 -39.469 1.00 75.76 ? 141 GLU C CD 1 ? ? +9408 ATOM O OE1 . GLU C 3 119 ? 57.406 -81.403 -38.960 1.00 75.15 ? 141 GLU C OE1 1 ? ? +9409 ATOM O OE2 . GLU C 3 119 ? 58.167 -79.955 -40.434 1.00 74.82 ? 141 GLU C OE2 1 ? ? +9410 ATOM C C . GLU C 3 119 ? 61.200 -84.342 -39.743 1.00 82.42 ? 141 GLU C C 1 ? ? +9411 ATOM O O . GLU C 3 119 ? 62.427 -84.319 -39.759 1.00 82.89 ? 141 GLU C O 1 ? ? +9412 ATOM N N . GLU C 3 120 ? 60.485 -85.452 -39.522 1.00 84.33 ? 142 GLU C N 1 ? ? +9413 ATOM C CA . GLU C 3 120 ? 61.116 -86.747 -39.322 1.00 86.83 ? 142 GLU C CA 1 ? ? +9414 ATOM C CB . GLU C 3 120 ? 60.200 -87.737 -38.577 1.00 88.16 ? 142 GLU C CB 1 ? ? +9415 ATOM C CG . GLU C 3 120 ? 59.693 -87.256 -37.215 1.00 88.83 ? 142 GLU C CG 1 ? ? +9416 ATOM C CD . GLU C 3 120 ? 58.474 -86.338 -37.267 1.00 89.04 ? 142 GLU C CD 1 ? ? +9417 ATOM O OE1 . GLU C 3 120 ? 58.026 -86.020 -38.394 1.00 89.02 ? 142 GLU C OE1 1 ? ? +9418 ATOM O OE2 . GLU C 3 120 ? 57.976 -85.927 -36.194 1.00 89.39 ? 142 GLU C OE2 1 ? ? +9419 ATOM C C . GLU C 3 120 ? 61.524 -87.343 -40.667 1.00 87.82 ? 142 GLU C C 1 ? ? +9420 ATOM O O . GLU C 3 120 ? 62.531 -88.040 -40.755 1.00 89.19 ? 142 GLU C O 1 ? ? +9421 ATOM N N . TYR C 3 121 ? 60.735 -87.062 -41.711 1.00 87.78 ? 143 TYR C N 1 ? ? +9422 ATOM C CA . TYR C 3 121 ? 61.007 -87.569 -43.048 1.00 88.34 ? 143 TYR C CA 1 ? ? +9423 ATOM C CB . TYR C 3 121 ? 59.767 -87.385 -43.935 1.00 88.49 ? 143 TYR C CB 1 ? ? +9424 ATOM C CG . TYR C 3 121 ? 60.025 -87.730 -45.382 1.00 90.18 ? 143 TYR C CG 1 ? ? +9425 ATOM C CD2 . TYR C 3 121 ? 60.317 -86.739 -46.313 1.00 90.45 ? 143 TYR C CD2 1 ? ? +9426 ATOM C CD1 . TYR C 3 121 ? 59.989 -89.048 -45.820 1.00 91.43 ? 143 TYR C CD1 1 ? ? +9427 ATOM C CE2 . TYR C 3 121 ? 60.559 -87.050 -47.646 1.00 91.10 ? 143 TYR C CE2 1 ? ? +9428 ATOM C CE1 . TYR C 3 121 ? 60.219 -89.372 -47.154 1.00 92.19 ? 143 TYR C CE1 1 ? ? +9429 ATOM C CZ . TYR C 3 121 ? 60.500 -88.369 -48.067 1.00 92.25 ? 143 TYR C CZ 1 ? ? +9430 ATOM O OH . TYR C 3 121 ? 60.730 -88.691 -49.386 1.00 93.02 ? 143 TYR C OH 1 ? ? +9431 ATOM C C . TYR C 3 121 ? 62.218 -86.903 -43.705 1.00 87.58 ? 143 TYR C C 1 ? ? +9432 ATOM O O . TYR C 3 121 ? 63.031 -87.576 -44.323 1.00 88.51 ? 143 TYR C O 1 ? ? +9433 ATOM N N . SER C 3 122 ? 62.314 -85.575 -43.589 1.00 86.36 ? 144 SER C N 1 ? ? +9434 ATOM C CA . SER C 3 122 ? 63.359 -84.794 -44.235 1.00 85.65 ? 144 SER C CA 1 ? ? +9435 ATOM C CB . SER C 3 122 ? 62.987 -84.470 -45.679 1.00 85.65 ? 144 SER C CB 1 ? ? +9436 ATOM O OG . SER C 3 122 ? 63.842 -83.463 -46.205 1.00 85.78 ? 144 SER C OG 1 ? ? +9437 ATOM C C . SER C 3 122 ? 63.613 -83.479 -43.503 1.00 84.30 ? 144 SER C C 1 ? ? +9438 ATOM O O . SER C 3 122 ? 62.697 -82.693 -43.284 1.00 83.41 ? 144 SER C O 1 ? ? +9439 ATOM N N . SER C 3 123 ? 64.870 -83.237 -43.143 1.00 84.36 ? 145 SER C N 1 ? ? +9440 ATOM C CA . SER C 3 123 ? 65.251 -81.979 -42.528 1.00 83.62 ? 145 SER C CA 1 ? ? +9441 ATOM C CB . SER C 3 123 ? 66.653 -82.072 -41.930 1.00 84.85 ? 145 SER C CB 1 ? ? +9442 ATOM O OG . SER C 3 123 ? 67.614 -82.447 -42.903 1.00 85.68 ? 145 SER C OG 1 ? ? +9443 ATOM C C . SER C 3 123 ? 65.142 -80.831 -43.528 1.00 82.51 ? 145 SER C C 1 ? ? +9444 ATOM O O . SER C 3 123 ? 64.901 -79.698 -43.123 1.00 81.97 ? 145 SER C O 1 ? ? +9445 ATOM N N . PHE C 3 124 ? 65.263 -81.132 -44.830 1.00 82.34 ? 146 PHE C N 1 ? ? +9446 ATOM C CA . PHE C 3 124 ? 65.183 -80.112 -45.865 1.00 81.60 ? 146 PHE C CA 1 ? ? +9447 ATOM C CB . PHE C 3 124 ? 65.640 -80.664 -47.228 1.00 82.42 ? 146 PHE C CB 1 ? ? +9448 ATOM C CG . PHE C 3 124 ? 65.628 -79.616 -48.309 1.00 82.45 ? 146 PHE C CG 1 ? ? +9449 ATOM C CD1 . PHE C 3 124 ? 66.619 -78.654 -48.371 1.00 82.90 ? 146 PHE C CD1 1 ? ? +9450 ATOM C CD2 . PHE C 3 124 ? 64.590 -79.555 -49.233 1.00 82.19 ? 146 PHE C CD2 1 ? ? +9451 ATOM C CE1 . PHE C 3 124 ? 66.598 -77.672 -49.356 1.00 82.73 ? 146 PHE C CE1 1 ? ? +9452 ATOM C CE2 . PHE C 3 124 ? 64.567 -78.567 -50.211 1.00 81.77 ? 146 PHE C CE2 1 ? ? +9453 ATOM C CZ . PHE C 3 124 ? 65.574 -77.632 -50.266 1.00 82.00 ? 146 PHE C CZ 1 ? ? +9454 ATOM C C . PHE C 3 124 ? 63.769 -79.540 -45.988 1.00 80.07 ? 146 PHE C C 1 ? ? +9455 ATOM O O . PHE C 3 124 ? 63.563 -78.339 -45.818 1.00 79.08 ? 146 PHE C O 1 ? ? +9456 ATOM N N . PHE C 3 125 ? 62.799 -80.415 -46.282 1.00 79.49 ? 147 PHE C N 1 ? ? +9457 ATOM C CA . PHE C 3 125 ? 61.420 -79.994 -46.468 1.00 78.25 ? 147 PHE C CA 1 ? ? +9458 ATOM C CB . PHE C 3 125 ? 60.660 -81.046 -47.277 1.00 78.41 ? 147 PHE C CB 1 ? ? +9459 ATOM C CG . PHE C 3 125 ? 61.118 -81.116 -48.710 1.00 78.59 ? 147 PHE C CG 1 ? ? +9460 ATOM C CD1 . PHE C 3 125 ? 60.867 -80.068 -49.587 1.00 77.97 ? 147 PHE C CD1 1 ? ? +9461 ATOM C CD2 . PHE C 3 125 ? 61.823 -82.213 -49.174 1.00 79.36 ? 147 PHE C CD2 1 ? ? +9462 ATOM C CE1 . PHE C 3 125 ? 61.302 -80.125 -50.900 1.00 78.35 ? 147 PHE C CE1 1 ? ? +9463 ATOM C CE2 . PHE C 3 125 ? 62.248 -82.272 -50.495 1.00 79.72 ? 147 PHE C CE2 1 ? ? +9464 ATOM C CZ . PHE C 3 125 ? 61.992 -81.227 -51.349 1.00 79.21 ? 147 PHE C CZ 1 ? ? +9465 ATOM C C . PHE C 3 125 ? 60.688 -79.714 -45.159 1.00 77.49 ? 147 PHE C C 1 ? ? +9466 ATOM O O . PHE C 3 125 ? 59.667 -79.032 -45.155 1.00 76.79 ? 147 PHE C O 1 ? ? +9467 ATOM N N . GLY C 3 126 ? 61.206 -80.256 -44.054 1.00 77.86 ? 148 GLY C N 1 ? ? +9468 ATOM C CA . GLY C 3 126 ? 60.674 -79.969 -42.731 1.00 77.17 ? 148 GLY C CA 1 ? ? +9469 ATOM C C . GLY C 3 126 ? 61.014 -78.556 -42.261 1.00 76.47 ? 148 GLY C C 1 ? ? +9470 ATOM O O . GLY C 3 126 ? 62.007 -77.976 -42.690 1.00 76.77 ? 148 GLY C O 1 ? ? +9471 ATOM N N . TYR C 3 127 ? 60.177 -78.010 -41.374 1.00 75.60 ? 149 TYR C N 1 ? ? +9472 ATOM C CA . TYR C 3 127 ? 60.387 -76.672 -40.842 1.00 74.89 ? 149 TYR C CA 1 ? ? +9473 ATOM C CB . TYR C 3 127 ? 59.903 -75.615 -41.852 1.00 73.89 ? 149 TYR C CB 1 ? ? +9474 ATOM C CG . TYR C 3 127 ? 58.421 -75.678 -42.139 1.00 73.08 ? 149 TYR C CG 1 ? ? +9475 ATOM C CD1 . TYR C 3 127 ? 57.500 -75.080 -41.289 1.00 72.40 ? 149 TYR C CD1 1 ? ? +9476 ATOM C CD2 . TYR C 3 127 ? 57.933 -76.365 -43.243 1.00 73.10 ? 149 TYR C CD2 1 ? ? +9477 ATOM C CE1 . TYR C 3 127 ? 56.135 -75.142 -41.542 1.00 71.70 ? 149 TYR C CE1 1 ? ? +9478 ATOM C CE2 . TYR C 3 127 ? 56.566 -76.438 -43.505 1.00 72.32 ? 149 TYR C CE2 1 ? ? +9479 ATOM C CZ . TYR C 3 127 ? 55.668 -75.828 -42.649 1.00 71.68 ? 149 TYR C CZ 1 ? ? +9480 ATOM O OH . TYR C 3 127 ? 54.316 -75.901 -42.896 1.00 70.86 ? 149 TYR C OH 1 ? ? +9481 ATOM C C . TYR C 3 127 ? 59.703 -76.487 -39.489 1.00 74.43 ? 149 TYR C C 1 ? ? +9482 ATOM O O . TYR C 3 127 ? 58.819 -77.248 -39.123 1.00 74.10 ? 149 TYR C O 1 ? ? +9483 ATOM N N . ASP C 3 128 ? 60.175 -75.486 -38.742 1.00 74.55 ? 150 ASP C N 1 ? ? +9484 ATOM C CA . ASP C 3 128 ? 59.592 -75.063 -37.481 1.00 74.07 ? 150 ASP C CA 1 ? ? +9485 ATOM C CB . ASP C 3 128 ? 60.541 -75.377 -36.308 1.00 75.57 ? 150 ASP C CB 1 ? ? +9486 ATOM C CG . ASP C 3 128 ? 60.124 -74.898 -34.927 1.00 76.08 ? 150 ASP C CG 1 ? ? +9487 ATOM O OD1 . ASP C 3 128 ? 58.914 -74.625 -34.728 1.00 75.47 ? 150 ASP C OD1 1 ? ? +9488 ATOM O OD2 . ASP C 3 128 ? 61.017 -74.798 -34.040 1.00 77.85 ? 150 ASP C OD2 1 ? ? +9489 ATOM C C . ASP C 3 128 ? 59.364 -73.565 -37.633 1.00 72.63 ? 150 ASP C C 1 ? ? +9490 ATOM O O . ASP C 3 128 ? 60.295 -72.830 -37.950 1.00 72.38 ? 150 ASP C O 1 ? ? +9491 ATOM N N . TRP C 3 129 ? 58.125 -73.121 -37.397 1.00 71.41 ? 151 TRP C N 1 ? ? +9492 ATOM C CA . TRP C 3 129 ? 57.785 -71.715 -37.547 1.00 70.38 ? 151 TRP C CA 1 ? ? +9493 ATOM C CB . TRP C 3 129 ? 56.406 -71.442 -36.986 1.00 69.51 ? 151 TRP C CB 1 ? ? +9494 ATOM C CG . TRP C 3 129 ? 55.297 -72.199 -37.627 1.00 69.05 ? 151 TRP C CG 1 ? ? +9495 ATOM C CD1 . TRP C 3 129 ? 54.527 -73.154 -37.043 1.00 69.11 ? 151 TRP C CD1 1 ? ? +9496 ATOM N NE1 . TRP C 3 129 ? 53.595 -73.613 -37.930 1.00 68.79 ? 151 TRP C NE1 1 ? ? +9497 ATOM C CE2 . TRP C 3 129 ? 53.734 -72.940 -39.114 1.00 68.38 ? 151 TRP C CE2 1 ? ? +9498 ATOM C CZ2 . TRP C 3 129 ? 53.003 -73.035 -40.301 1.00 67.96 ? 151 TRP C CZ2 1 ? ? +9499 ATOM C CH2 . TRP C 3 129 ? 53.366 -72.210 -41.332 1.00 67.70 ? 151 TRP C CH2 1 ? ? +9500 ATOM C CZ3 . TRP C 3 129 ? 54.435 -71.317 -41.211 1.00 67.95 ? 151 TRP C CZ3 1 ? ? +9501 ATOM C CE3 . TRP C 3 129 ? 55.154 -71.217 -40.034 1.00 68.29 ? 151 TRP C CE3 1 ? ? +9502 ATOM C CD2 . TRP C 3 129 ? 54.799 -72.036 -38.955 1.00 68.50 ? 151 TRP C CD2 1 ? ? +9503 ATOM C C . TRP C 3 129 ? 58.757 -70.773 -36.840 1.00 70.57 ? 151 TRP C C 1 ? ? +9504 ATOM O O . TRP C 3 129 ? 59.000 -69.658 -37.292 1.00 69.74 ? 151 TRP C O 1 ? ? +9505 ATOM N N . LYS C 3 130 ? 59.287 -71.229 -35.704 1.00 71.64 ? 152 LYS C N 1 ? ? +9506 ATOM C CA . LYS C 3 130 ? 60.161 -70.419 -34.876 1.00 72.43 ? 152 LYS C CA 1 ? ? +9507 ATOM C CB . LYS C 3 130 ? 60.228 -70.969 -33.444 1.00 74.41 ? 152 LYS C CB 1 ? ? +9508 ATOM C CG . LYS C 3 130 ? 58.855 -71.377 -32.883 1.00 75.66 ? 152 LYS C CG 1 ? ? +9509 ATOM C CD . LYS C 3 130 ? 58.843 -71.692 -31.354 1.00 77.69 ? 152 LYS C CD 1 ? ? +9510 ATOM C CE . LYS C 3 130 ? 59.721 -72.900 -30.946 1.00 80.40 ? 152 LYS C CE 1 ? ? +9511 ATOM N NZ . LYS C 3 130 ? 59.041 -74.213 -31.210 1.00 81.44 ? 152 LYS C NZ 1 ? ? +9512 ATOM C C . LYS C 3 130 ? 61.573 -70.349 -35.447 1.00 72.09 ? 152 LYS C C 1 ? ? +9513 ATOM O O . LYS C 3 130 ? 62.332 -69.451 -35.095 1.00 72.20 ? 152 LYS C O 1 ? ? +9514 ATOM N N . ASP C 3 131 ? 61.923 -71.289 -36.328 1.00 71.52 ? 153 ASP C N 1 ? ? +9515 ATOM C CA . ASP C 3 131 ? 63.245 -71.300 -36.931 1.00 71.50 ? 153 ASP C CA 1 ? ? +9516 ATOM C CB . ASP C 3 131 ? 63.550 -72.663 -37.544 1.00 71.99 ? 153 ASP C CB 1 ? ? +9517 ATOM C CG . ASP C 3 131 ? 64.939 -72.783 -38.083 1.00 72.71 ? 153 ASP C CG 1 ? ? +9518 ATOM O OD1 . ASP C 3 131 ? 65.629 -71.755 -38.173 1.00 72.53 ? 153 ASP C OD1 1 ? ? +9519 ATOM O OD2 . ASP C 3 131 ? 65.335 -73.896 -38.412 1.00 73.52 ? 153 ASP C OD2 1 ? ? +9520 ATOM C C . ASP C 3 131 ? 63.363 -70.184 -37.967 1.00 70.44 ? 153 ASP C C 1 ? ? +9521 ATOM O O . ASP C 3 131 ? 62.989 -70.348 -39.128 1.00 69.93 ? 153 ASP C O 1 ? ? +9522 ATOM N N . LYS C 3 132 ? 63.927 -69.060 -37.516 1.00 69.86 ? 154 LYS C N 1 ? ? +9523 ATOM C CA . LYS C 3 132 ? 64.055 -67.858 -38.315 1.00 69.01 ? 154 LYS C CA 1 ? ? +9524 ATOM C CB . LYS C 3 132 ? 64.635 -66.740 -37.443 1.00 69.07 ? 154 LYS C CB 1 ? ? +9525 ATOM C CG . LYS C 3 132 ? 63.741 -66.360 -36.275 1.00 68.48 ? 154 LYS C CG 1 ? ? +9526 ATOM C CD . LYS C 3 132 ? 64.244 -65.152 -35.503 1.00 68.48 ? 154 LYS C CD 1 ? ? +9527 ATOM C CE . LYS C 3 132 ? 63.418 -64.871 -34.267 1.00 68.07 ? 154 LYS C CE 1 ? ? +9528 ATOM N NZ . LYS C 3 132 ? 63.531 -65.954 -33.243 1.00 68.71 ? 154 LYS C NZ 1 ? ? +9529 ATOM C C . LYS C 3 132 ? 64.910 -68.079 -39.561 1.00 69.23 ? 154 LYS C C 1 ? ? +9530 ATOM O O . LYS C 3 132 ? 64.594 -67.544 -40.623 1.00 68.76 ? 154 LYS C O 1 ? ? +9531 ATOM N N . ASN C 3 133 ? 65.975 -68.885 -39.439 1.00 69.83 ? 155 ASN C N 1 ? ? +9532 ATOM C CA . ASN C 3 133 ? 66.836 -69.163 -40.576 1.00 70.12 ? 155 ASN C CA 1 ? ? +9533 ATOM C CB . ASN C 3 133 ? 68.083 -69.941 -40.157 1.00 71.29 ? 155 ASN C CB 1 ? ? +9534 ATOM C CG . ASN C 3 133 ? 69.109 -69.984 -41.266 1.00 71.94 ? 155 ASN C CG 1 ? ? +9535 ATOM O OD1 . ASN C 3 133 ? 68.977 -70.633 -42.308 1.00 71.75 ? 155 ASN C OD1 1 ? ? +9536 ATOM N ND2 . ASN C 3 133 ? 70.130 -69.221 -41.093 1.00 72.58 ? 155 ASN C ND2 1 ? ? +9537 ATOM C C . ASN C 3 133 ? 66.070 -69.906 -41.670 1.00 69.51 ? 155 ASN C C 1 ? ? +9538 ATOM O O . ASN C 3 133 ? 65.995 -69.444 -42.808 1.00 68.99 ? 155 ASN C O 1 ? ? +9539 ATOM N N . LYS C 3 134 ? 65.480 -71.047 -41.303 1.00 69.40 ? 156 LYS C N 1 ? ? +9540 ATOM C CA . LYS C 3 134 ? 64.700 -71.847 -42.234 1.00 69.10 ? 156 LYS C CA 1 ? ? +9541 ATOM C CB . LYS C 3 134 ? 64.179 -73.119 -41.534 1.00 69.35 ? 156 LYS C CB 1 ? ? +9542 ATOM C CG . LYS C 3 134 ? 63.494 -74.127 -42.478 1.00 69.33 ? 156 LYS C CG 1 ? ? +9543 ATOM C CD . LYS C 3 134 ? 64.346 -74.468 -43.704 1.00 70.02 ? 156 LYS C CD 1 ? ? +9544 ATOM C CE . LYS C 3 134 ? 63.945 -75.733 -44.406 1.00 70.34 ? 156 LYS C CE 1 ? ? +9545 ATOM N NZ . LYS C 3 134 ? 64.194 -76.939 -43.561 1.00 71.14 ? 156 LYS C NZ 1 ? ? +9546 ATOM C C . LYS C 3 134 ? 63.529 -71.078 -42.853 1.00 67.86 ? 156 LYS C C 1 ? ? +9547 ATOM O O . LYS C 3 134 ? 63.210 -71.279 -44.023 1.00 67.69 ? 156 LYS C O 1 ? ? +9548 ATOM N N . MET C 3 135 ? 62.901 -70.187 -42.079 1.00 66.96 ? 157 MET C N 1 ? ? +9549 ATOM C CA . MET C 3 135 ? 61.784 -69.417 -42.595 1.00 65.89 ? 157 MET C CA 1 ? ? +9550 ATOM C CB . MET C 3 135 ? 61.084 -68.649 -41.471 1.00 65.36 ? 157 MET C CB 1 ? ? +9551 ATOM C CG . MET C 3 135 ? 60.139 -69.492 -40.657 1.00 65.29 ? 157 MET C CG 1 ? ? +9552 ATOM S SD . MET C 3 135 ? 58.940 -70.415 -41.662 1.00 65.10 ? 157 MET C SD 1 ? ? +9553 ATOM C CE . MET C 3 135 ? 59.454 -71.999 -41.296 1.00 66.07 ? 157 MET C CE 1 ? ? +9554 ATOM C C . MET C 3 135 ? 62.220 -68.435 -43.680 1.00 65.53 ? 157 MET C C 1 ? ? +9555 ATOM O O . MET C 3 135 ? 61.527 -68.263 -44.681 1.00 64.99 ? 157 MET C O 1 ? ? +9556 ATOM N N . THR C 3 136 ? 63.372 -67.788 -43.467 1.00 65.81 ? 158 THR C N 1 ? ? +9557 ATOM C CA . THR C 3 136 ? 63.929 -66.871 -44.450 1.00 65.59 ? 158 THR C CA 1 ? ? +9558 ATOM C CB . THR C 3 136 ? 65.005 -66.011 -43.816 1.00 66.01 ? 158 THR C CB 1 ? ? +9559 ATOM O OG1 . THR C 3 136 ? 65.957 -66.862 -43.169 1.00 66.91 ? 158 THR C OG1 1 ? ? +9560 ATOM C CG2 . THR C 3 136 ? 64.392 -64.979 -42.831 1.00 65.27 ? 158 THR C CG2 1 ? ? +9561 ATOM C C . THR C 3 136 ? 64.461 -67.594 -45.683 1.00 65.97 ? 158 THR C C 1 ? ? +9562 ATOM O O . THR C 3 136 ? 64.523 -67.010 -46.761 1.00 65.70 ? 158 THR C O 1 ? ? +9563 ATOM N N . THR C 3 137 ? 64.841 -68.866 -45.522 1.00 66.55 ? 159 THR C N 1 ? ? +9564 ATOM C CA . THR C 3 137 ? 65.338 -69.660 -46.637 1.00 67.08 ? 159 THR C CA 1 ? ? +9565 ATOM C CB . THR C 3 137 ? 66.064 -70.891 -46.118 1.00 68.03 ? 159 THR C CB 1 ? ? +9566 ATOM O OG1 . THR C 3 137 ? 67.183 -70.439 -45.372 1.00 68.73 ? 159 THR C OG1 1 ? ? +9567 ATOM C CG2 . THR C 3 137 ? 66.518 -71.806 -47.222 1.00 68.66 ? 159 THR C CG2 1 ? ? +9568 ATOM C C . THR C 3 137 ? 64.202 -70.010 -47.595 1.00 66.33 ? 159 THR C C 1 ? ? +9569 ATOM O O . THR C 3 137 ? 64.358 -69.904 -48.808 1.00 66.37 ? 159 THR C O 1 ? ? +9570 ATOM N N . ILE C 3 138 ? 63.062 -70.422 -47.035 1.00 65.68 ? 160 ILE C N 1 ? ? +9571 ATOM C CA . ILE C 3 138 ? 61.881 -70.732 -47.825 1.00 64.99 ? 160 ILE C CA 1 ? ? +9572 ATOM C CB . ILE C 3 138 ? 60.792 -71.345 -46.933 1.00 64.57 ? 160 ILE C CB 1 ? ? +9573 ATOM C CG1 . ILE C 3 138 ? 61.203 -72.723 -46.422 1.00 65.39 ? 160 ILE C CG1 1 ? ? +9574 ATOM C CG2 . ILE C 3 138 ? 59.450 -71.407 -47.672 1.00 63.82 ? 160 ILE C CG2 1 ? ? +9575 ATOM C CD1 . ILE C 3 138 ? 60.293 -73.245 -45.313 1.00 65.08 ? 160 ILE C CD1 1 ? ? +9576 ATOM C C . ILE C 3 138 ? 61.369 -69.481 -48.534 1.00 64.16 ? 160 ILE C C 1 ? ? +9577 ATOM O O . ILE C 3 138 ? 61.016 -69.525 -49.715 1.00 63.95 ? 160 ILE C O 1 ? ? +9578 ATOM N N . LEU C 3 139 ? 61.323 -68.376 -47.781 1.00 63.69 ? 161 LEU C N 1 ? ? +9579 ATOM C CA . LEU C 3 139 ? 61.067 -67.062 -48.339 1.00 63.06 ? 161 LEU C CA 1 ? ? +9580 ATOM C CB . LEU C 3 139 ? 61.228 -65.998 -47.249 1.00 62.78 ? 161 LEU C CB 1 ? ? +9581 ATOM C CG . LEU C 3 139 ? 61.097 -64.546 -47.672 1.00 62.24 ? 161 LEU C CG 1 ? ? +9582 ATOM C CD1 . LEU C 3 139 ? 59.652 -64.216 -48.120 1.00 61.30 ? 161 LEU C CD1 1 ? ? +9583 ATOM C CD2 . LEU C 3 139 ? 61.512 -63.632 -46.548 1.00 62.18 ? 161 LEU C CD2 1 ? ? +9584 ATOM C C . LEU C 3 139 ? 62.007 -66.796 -49.507 1.00 63.59 ? 161 LEU C C 1 ? ? +9585 ATOM O O . LEU C 3 139 ? 61.553 -66.462 -50.596 1.00 63.21 ? 161 LEU C O 1 ? ? +9586 ATOM N N . GLY C 3 140 ? 63.316 -66.983 -49.275 1.00 64.54 ? 162 GLY C N 1 ? ? +9587 ATOM C CA . GLY C 3 140 ? 64.336 -66.774 -50.289 1.00 65.17 ? 162 GLY C CA 1 ? ? +9588 ATOM C C . GLY C 3 140 ? 64.064 -67.540 -51.580 1.00 65.36 ? 162 GLY C C 1 ? ? +9589 ATOM O O . GLY C 3 140 ? 64.117 -66.964 -52.665 1.00 65.25 ? 162 GLY C O 1 ? ? +9590 ATOM N N . PHE C 3 141 ? 63.767 -68.838 -51.455 1.00 65.71 ? 163 PHE C N 1 ? ? +9591 ATOM C CA . PHE C 3 141 ? 63.480 -69.662 -52.617 1.00 65.97 ? 163 PHE C CA 1 ? ? +9592 ATOM C CB . PHE C 3 141 ? 63.129 -71.112 -52.235 1.00 66.30 ? 163 PHE C CB 1 ? ? +9593 ATOM C CG . PHE C 3 141 ? 64.257 -71.940 -51.661 1.00 67.35 ? 163 PHE C CG 1 ? ? +9594 ATOM C CD1 . PHE C 3 141 ? 65.502 -71.966 -52.270 1.00 68.20 ? 163 PHE C CD1 1 ? ? +9595 ATOM C CD2 . PHE C 3 141 ? 64.065 -72.716 -50.528 1.00 67.53 ? 163 PHE C CD2 1 ? ? +9596 ATOM C CE1 . PHE C 3 141 ? 66.536 -72.722 -51.744 1.00 69.16 ? 163 PHE C CE1 1 ? ? +9597 ATOM C CE2 . PHE C 3 141 ? 65.113 -73.473 -50.004 1.00 68.51 ? 163 PHE C CE2 1 ? ? +9598 ATOM C CZ . PHE C 3 141 ? 66.337 -73.472 -50.616 1.00 69.31 ? 163 PHE C CZ 1 ? ? +9599 ATOM C C . PHE C 3 141 ? 62.338 -69.064 -53.434 1.00 65.19 ? 163 PHE C C 1 ? ? +9600 ATOM O O . PHE C 3 141 ? 62.447 -68.981 -54.655 1.00 65.34 ? 163 PHE C O 1 ? ? +9601 ATOM N N . HIS C 3 142 ? 61.266 -68.634 -52.755 1.00 64.41 ? 164 HIS C N 1 ? ? +9602 ATOM C CA . HIS C 3 142 ? 60.091 -68.124 -53.439 1.00 63.70 ? 164 HIS C CA 1 ? ? +9603 ATOM C CB . HIS C 3 142 ? 58.877 -68.063 -52.484 1.00 62.92 ? 164 HIS C CB 1 ? ? +9604 ATOM C CG . HIS C 3 142 ? 58.426 -69.411 -52.011 1.00 63.12 ? 164 HIS C CG 1 ? ? +9605 ATOM N ND1 . HIS C 3 142 ? 57.595 -69.554 -50.929 1.00 62.68 ? 164 HIS C ND1 1 ? ? +9606 ATOM C CE1 . HIS C 3 142 ? 57.421 -70.857 -50.765 1.00 63.06 ? 164 HIS C CE1 1 ? ? +9607 ATOM N NE2 . HIS C 3 142 ? 58.096 -71.546 -51.684 1.00 63.74 ? 164 HIS C NE2 1 ? ? +9608 ATOM C CD2 . HIS C 3 142 ? 58.751 -70.636 -52.471 1.00 63.80 ? 164 HIS C CD2 1 ? ? +9609 ATOM C C . HIS C 3 142 ? 60.327 -66.763 -54.088 1.00 63.52 ? 164 HIS C C 1 ? ? +9610 ATOM O O . HIS C 3 142 ? 59.753 -66.480 -55.132 1.00 63.19 ? 164 HIS C O 1 ? ? +9611 ATOM N N . LEU C 3 143 ? 61.170 -65.926 -53.475 1.00 63.82 ? 165 LEU C N 1 ? ? +9612 ATOM C CA . LEU C 3 143 ? 61.603 -64.692 -54.114 1.00 63.81 ? 165 LEU C CA 1 ? ? +9613 ATOM C CB . LEU C 3 143 ? 62.521 -63.892 -53.168 1.00 64.14 ? 165 LEU C CB 1 ? ? +9614 ATOM C CG . LEU C 3 143 ? 61.781 -63.177 -52.026 1.00 63.48 ? 165 LEU C CG 1 ? ? +9615 ATOM C CD1 . LEU C 3 143 ? 62.754 -62.569 -51.029 1.00 63.88 ? 165 LEU C CD1 1 ? ? +9616 ATOM C CD2 . LEU C 3 143 ? 60.856 -62.079 -52.565 1.00 62.63 ? 165 LEU C CD2 1 ? ? +9617 ATOM C C . LEU C 3 143 ? 62.303 -64.949 -55.451 1.00 64.39 ? 165 LEU C C 1 ? ? +9618 ATOM O O . LEU C 3 143 ? 62.058 -64.235 -56.419 1.00 64.12 ? 165 LEU C O 1 ? ? +9619 ATOM N N . ILE C 3 144 ? 63.147 -65.982 -55.511 1.00 65.21 ? 166 ILE C N 1 ? ? +9620 ATOM C CA . ILE C 3 144 ? 63.821 -66.336 -56.749 1.00 65.88 ? 166 ILE C CA 1 ? ? +9621 ATOM C CB . ILE C 3 144 ? 64.909 -67.417 -56.523 1.00 66.90 ? 166 ILE C CB 1 ? ? +9622 ATOM C CG1 . ILE C 3 144 ? 66.038 -66.848 -55.611 1.00 67.39 ? 166 ILE C CG1 1 ? ? +9623 ATOM C CG2 . ILE C 3 144 ? 65.452 -67.928 -57.868 1.00 67.54 ? 166 ILE C CG2 1 ? ? +9624 ATOM C CD1 . ILE C 3 144 ? 67.221 -67.743 -55.337 1.00 68.47 ? 166 ILE C CD1 1 ? ? +9625 ATOM C C . ILE C 3 144 ? 62.808 -66.760 -57.809 1.00 65.51 ? 166 ILE C C 1 ? ? +9626 ATOM O O . ILE C 3 144 ? 62.888 -66.336 -58.957 1.00 65.49 ? 166 ILE C O 1 ? ? +9627 ATOM N N . VAL C 3 145 ? 61.857 -67.606 -57.409 1.00 65.29 ? 167 VAL C N 1 ? ? +9628 ATOM C CA . VAL C 3 145 ? 60.747 -67.991 -58.272 1.00 64.88 ? 167 VAL C CA 1 ? ? +9629 ATOM C CB . VAL C 3 145 ? 59.767 -68.933 -57.537 1.00 64.63 ? 167 VAL C CB 1 ? ? +9630 ATOM C CG1 . VAL C 3 145 ? 58.388 -68.984 -58.216 1.00 63.99 ? 167 VAL C CG1 1 ? ? +9631 ATOM C CG2 . VAL C 3 145 ? 60.362 -70.332 -57.410 1.00 65.47 ? 167 VAL C CG2 1 ? ? +9632 ATOM C C . VAL C 3 145 ? 60.006 -66.781 -58.828 1.00 64.08 ? 167 VAL C C 1 ? ? +9633 ATOM O O . VAL C 3 145 ? 59.735 -66.723 -60.022 1.00 64.03 ? 167 VAL C O 1 ? ? +9634 ATOM N N . LEU C 3 146 ? 59.668 -65.832 -57.951 1.00 63.52 ? 168 LEU C N 1 ? ? +9635 ATOM C CA . LEU C 3 146 ? 58.913 -64.648 -58.342 1.00 62.78 ? 168 LEU C CA 1 ? ? +9636 ATOM C CB . LEU C 3 146 ? 58.558 -63.814 -57.113 1.00 62.31 ? 168 LEU C CB 1 ? ? +9637 ATOM C CG . LEU C 3 146 ? 57.459 -64.351 -56.208 1.00 61.93 ? 168 LEU C CG 1 ? ? +9638 ATOM C CD1 . LEU C 3 146 ? 57.236 -63.443 -55.022 1.00 61.46 ? 168 LEU C CD1 1 ? ? +9639 ATOM C CD2 . LEU C 3 146 ? 56.148 -64.485 -56.941 1.00 61.40 ? 168 LEU C CD2 1 ? ? +9640 ATOM C C . LEU C 3 146 ? 59.717 -63.797 -59.326 1.00 63.04 ? 168 LEU C C 1 ? ? +9641 ATOM O O . LEU C 3 146 ? 59.162 -63.296 -60.309 1.00 62.63 ? 168 LEU C O 1 ? ? +9642 ATOM N N . GLY C 3 147 ? 61.027 -63.652 -59.045 1.00 63.63 ? 169 GLY C N 1 ? ? +9643 ATOM C CA . GLY C 3 147 ? 61.936 -62.928 -59.914 1.00 64.00 ? 169 GLY C CA 1 ? ? +9644 ATOM C C . GLY C 3 147 ? 61.982 -63.507 -61.322 1.00 64.35 ? 169 GLY C C 1 ? ? +9645 ATOM O O . GLY C 3 147 ? 61.922 -62.762 -62.296 1.00 64.21 ? 169 GLY C O 1 ? ? +9646 ATOM N N . ILE C 3 148 ? 62.094 -64.837 -61.415 1.00 64.80 ? 170 ILE C N 1 ? ? +9647 ATOM C CA . ILE C 3 148 ? 62.047 -65.525 -62.694 1.00 65.18 ? 170 ILE C CA 1 ? ? +9648 ATOM C CB . ILE C 3 148 ? 62.263 -67.041 -62.493 1.00 65.88 ? 170 ILE C CB 1 ? ? +9649 ATOM C CG1 . ILE C 3 148 ? 63.756 -67.325 -62.220 1.00 66.93 ? 170 ILE C CG1 1 ? ? +9650 ATOM C CG2 . ILE C 3 148 ? 61.744 -67.864 -63.679 1.00 66.07 ? 170 ILE C CG2 1 ? ? +9651 ATOM C CD1 . ILE C 3 148 ? 64.095 -68.779 -61.976 1.00 67.62 ? 170 ILE C CD1 1 ? ? +9652 ATOM C C . ILE C 3 148 ? 60.739 -65.209 -63.416 1.00 64.31 ? 170 ILE C C 1 ? ? +9653 ATOM O O . ILE C 3 148 ? 60.736 -64.933 -64.613 1.00 64.37 ? 170 ILE C O 1 ? ? +9654 ATOM N N . GLY C 3 149 ? 59.634 -65.239 -62.663 1.00 63.50 ? 171 GLY C N 1 ? ? +9655 ATOM C CA . GLY C 3 149 ? 58.317 -64.917 -63.189 1.00 62.69 ? 171 GLY C CA 1 ? ? +9656 ATOM C C . GLY C 3 149 ? 58.281 -63.568 -63.898 1.00 62.31 ? 171 GLY C C 1 ? ? +9657 ATOM O O . GLY C 3 149 ? 57.764 -63.461 -65.006 1.00 62.22 ? 171 GLY C O 1 ? ? +9658 ATOM N N . ALA C 3 150 ? 58.834 -62.547 -63.240 1.00 62.13 ? 172 ALA C N 1 ? ? +9659 ATOM C CA . ALA C 3 150 ? 58.912 -61.216 -63.816 1.00 61.86 ? 172 ALA C CA 1 ? ? +9660 ATOM C CB . ALA C 3 150 ? 59.442 -60.232 -62.783 1.00 61.73 ? 172 ALA C CB 1 ? ? +9661 ATOM C C . ALA C 3 150 ? 59.781 -61.189 -65.075 1.00 62.54 ? 172 ALA C C 1 ? ? +9662 ATOM O O . ALA C 3 150 ? 59.441 -60.521 -66.045 1.00 62.38 ? 172 ALA C O 1 ? ? +9663 ATOM N N . LEU C 3 151 ? 60.894 -61.930 -65.073 1.00 63.31 ? 173 LEU C N 1 ? ? +9664 ATOM C CA . LEU C 3 151 ? 61.771 -61.970 -66.233 1.00 64.01 ? 173 LEU C CA 1 ? ? +9665 ATOM C CB . LEU C 3 151 ? 63.128 -62.632 -65.858 1.00 64.93 ? 173 LEU C CB 1 ? ? +9666 ATOM C CG . LEU C 3 151 ? 63.952 -61.844 -64.825 1.00 65.02 ? 173 LEU C CG 1 ? ? +9667 ATOM C CD1 . LEU C 3 151 ? 65.264 -62.502 -64.563 1.00 66.02 ? 173 LEU C CD1 1 ? ? +9668 ATOM C CD2 . LEU C 3 151 ? 64.184 -60.398 -65.261 1.00 64.85 ? 173 LEU C CD2 1 ? ? +9669 ATOM C C . LEU C 3 151 ? 61.121 -62.684 -67.417 1.00 64.02 ? 173 LEU C C 1 ? ? +9670 ATOM O O . LEU C 3 151 ? 61.451 -62.405 -68.562 1.00 64.28 ? 173 LEU C O 1 ? ? +9671 ATOM N N . LEU C 3 152 ? 60.170 -63.580 -67.140 1.00 63.69 ? 174 LEU C N 1 ? ? +9672 ATOM C CA . LEU C 3 152 ? 59.384 -64.205 -68.200 1.00 63.67 ? 174 LEU C CA 1 ? ? +9673 ATOM C CB . LEU C 3 152 ? 58.460 -65.302 -67.644 1.00 63.37 ? 174 LEU C CB 1 ? ? +9674 ATOM C CG . LEU C 3 152 ? 59.138 -66.588 -67.154 1.00 64.05 ? 174 LEU C CG 1 ? ? +9675 ATOM C CD1 . LEU C 3 152 ? 58.104 -67.625 -66.793 1.00 63.74 ? 174 LEU C CD1 1 ? ? +9676 ATOM C CD2 . LEU C 3 152 ? 60.116 -67.170 -68.194 1.00 64.99 ? 174 LEU C CD2 1 ? ? +9677 ATOM C C . LEU C 3 152 ? 58.529 -63.201 -68.972 1.00 63.01 ? 174 LEU C C 1 ? ? +9678 ATOM O O . LEU C 3 152 ? 58.283 -63.377 -70.161 1.00 63.15 ? 174 LEU C O 1 ? ? +9679 ATOM N N . LEU C 3 153 ? 58.089 -62.141 -68.299 1.00 62.35 ? 175 LEU C N 1 ? ? +9680 ATOM C CA . LEU C 3 153 ? 57.356 -61.081 -68.972 1.00 61.88 ? 175 LEU C CA 1 ? ? +9681 ATOM C CB . LEU C 3 153 ? 56.662 -60.145 -67.980 1.00 61.08 ? 175 LEU C CB 1 ? ? +9682 ATOM C CG . LEU C 3 153 ? 55.997 -58.918 -68.622 1.00 60.60 ? 175 LEU C CG 1 ? ? +9683 ATOM C CD1 . LEU C 3 153 ? 54.779 -59.307 -69.404 1.00 60.22 ? 175 LEU C CD1 1 ? ? +9684 ATOM C CD2 . LEU C 3 153 ? 55.634 -57.882 -67.579 1.00 59.98 ? 175 LEU C CD2 1 ? ? +9685 ATOM C C . LEU C 3 153 ? 58.291 -60.274 -69.866 1.00 62.38 ? 175 LEU C C 1 ? ? +9686 ATOM O O . LEU C 3 153 ? 57.904 -59.869 -70.957 1.00 62.32 ? 175 LEU C O 1 ? ? +9687 ATOM N N . VAL C 3 154 ? 59.509 -60.028 -69.373 1.00 62.91 ? 176 VAL C N 1 ? ? +9688 ATOM C CA . VAL C 3 154 ? 60.532 -59.331 -70.138 1.00 63.51 ? 176 VAL C CA 1 ? ? +9689 ATOM C CB . VAL C 3 154 ? 61.784 -59.085 -69.274 1.00 64.04 ? 176 VAL C CB 1 ? ? +9690 ATOM C CG1 . VAL C 3 154 ? 62.954 -58.526 -70.099 1.00 64.84 ? 176 VAL C CG1 1 ? ? +9691 ATOM C CG2 . VAL C 3 154 ? 61.449 -58.165 -68.102 1.00 63.37 ? 176 VAL C CG2 1 ? ? +9692 ATOM C C . VAL C 3 154 ? 60.848 -60.129 -71.398 1.00 64.17 ? 176 VAL C C 1 ? ? +9693 ATOM O O . VAL C 3 154 ? 60.903 -59.569 -72.491 1.00 64.31 ? 176 VAL C O 1 ? ? +9694 ATOM N N . ALA C 3 155 ? 61.027 -61.442 -71.221 1.00 64.58 ? 177 ALA C N 1 ? ? +9695 ATOM C CA . ALA C 3 155 ? 61.329 -62.344 -72.318 1.00 65.33 ? 177 ALA C CA 1 ? ? +9696 ATOM C CB . ALA C 3 155 ? 61.485 -63.759 -71.803 1.00 65.67 ? 177 ALA C CB 1 ? ? +9697 ATOM C C . ALA C 3 155 ? 60.258 -62.292 -73.402 1.00 65.04 ? 177 ALA C C 1 ? ? +9698 ATOM O O . ALA C 3 155 ? 60.575 -62.163 -74.584 1.00 65.53 ? 177 ALA C O 1 ? ? +9699 ATOM N N . LYS C 3 156 ? 58.987 -62.388 -72.990 1.00 64.33 ? 178 LYS C N 1 ? ? +9700 ATOM C CA . LYS C 3 156 ? 57.870 -62.278 -73.913 1.00 63.98 ? 178 LYS C CA 1 ? ? +9701 ATOM C CB . LYS C 3 156 ? 56.537 -62.351 -73.149 1.00 63.09 ? 178 LYS C CB 1 ? ? +9702 ATOM C CG . LYS C 3 156 ? 55.279 -62.243 -74.029 1.00 62.62 ? 178 LYS C CG 1 ? ? +9703 ATOM C CD . LYS C 3 156 ? 55.127 -63.454 -74.950 1.00 63.11 ? 178 LYS C CD 1 ? ? +9704 ATOM C CE . LYS C 3 156 ? 54.060 -63.310 -76.005 1.00 62.85 ? 178 LYS C CE 1 ? ? +9705 ATOM N NZ . LYS C 3 156 ? 54.333 -62.184 -76.930 1.00 62.95 ? 178 LYS C NZ 1 ? ? +9706 ATOM C C . LYS C 3 156 ? 57.955 -60.971 -74.696 1.00 64.03 ? 178 LYS C C 1 ? ? +9707 ATOM O O . LYS C 3 156 ? 57.793 -60.965 -75.912 1.00 64.27 ? 178 LYS C O 1 ? ? +9708 ATOM N N . ALA C 3 157 ? 58.209 -59.873 -73.976 1.00 63.88 ? 179 ALA C N 1 ? ? +9709 ATOM C CA . ALA C 3 157 ? 58.232 -58.540 -74.552 1.00 63.92 ? 179 ALA C CA 1 ? ? +9710 ATOM C CB . ALA C 3 157 ? 58.258 -57.515 -73.434 1.00 63.39 ? 179 ALA C CB 1 ? ? +9711 ATOM C C . ALA C 3 157 ? 59.410 -58.309 -75.502 1.00 65.03 ? 179 ALA C C 1 ? ? +9712 ATOM O O . ALA C 3 157 ? 59.272 -57.627 -76.516 1.00 65.15 ? 179 ALA C O 1 ? ? +9713 ATOM N N . MET C 3 158 ? 60.575 -58.871 -75.171 1.00 65.92 ? 180 MET C N 1 ? ? +9714 ATOM C CA . MET C 3 158 ? 61.784 -58.553 -75.907 1.00 67.00 ? 180 MET C CA 1 ? ? +9715 ATOM C CB . MET C 3 158 ? 62.944 -58.416 -74.920 1.00 67.41 ? 180 MET C CB 1 ? ? +9716 ATOM C CG . MET C 3 158 ? 62.827 -57.163 -74.081 1.00 66.85 ? 180 MET C CG 1 ? ? +9717 ATOM S SD . MET C 3 158 ? 64.235 -56.852 -73.012 1.00 67.39 ? 180 MET C SD 1 ? ? +9718 ATOM C CE . MET C 3 158 ? 65.370 -56.155 -74.178 1.00 68.29 ? 180 MET C CE 1 ? ? +9719 ATOM C C . MET C 3 158 ? 62.096 -59.590 -76.984 1.00 68.01 ? 180 MET C C 1 ? ? +9720 ATOM O O . MET C 3 158 ? 62.561 -59.235 -78.062 1.00 68.55 ? 180 MET C O 1 ? ? +9721 ATOM N N . PHE C 3 159 ? 61.808 -60.866 -76.700 1.00 68.34 ? 181 PHE C N 1 ? ? +9722 ATOM C CA . PHE C 3 159 ? 62.286 -61.963 -77.521 1.00 69.34 ? 181 PHE C CA 1 ? ? +9723 ATOM C CB . PHE C 3 159 ? 63.212 -62.824 -76.670 1.00 70.16 ? 181 PHE C CB 1 ? ? +9724 ATOM C CG . PHE C 3 159 ? 64.357 -62.064 -76.029 1.00 70.85 ? 181 PHE C CG 1 ? ? +9725 ATOM C CD1 . PHE C 3 159 ? 65.307 -61.418 -76.806 1.00 71.65 ? 181 PHE C CD1 1 ? ? +9726 ATOM C CD2 . PHE C 3 159 ? 64.485 -62.001 -74.647 1.00 70.72 ? 181 PHE C CD2 1 ? ? +9727 ATOM C CE1 . PHE C 3 159 ? 66.361 -60.728 -76.213 1.00 72.12 ? 181 PHE C CE1 1 ? ? +9728 ATOM C CE2 . PHE C 3 159 ? 65.544 -61.308 -74.057 1.00 71.15 ? 181 PHE C CE2 1 ? ? +9729 ATOM C CZ . PHE C 3 159 ? 66.469 -60.672 -74.843 1.00 71.84 ? 181 PHE C CZ 1 ? ? +9730 ATOM C C . PHE C 3 159 ? 61.225 -62.879 -78.125 1.00 69.17 ? 181 PHE C C 1 ? ? +9731 ATOM O O . PHE C 3 159 ? 61.534 -63.623 -79.046 1.00 69.86 ? 181 PHE C O 1 ? ? +9732 ATOM N N . PHE C 3 160 ? 59.984 -62.847 -77.617 1.00 68.32 ? 182 PHE C N 1 ? ? +9733 ATOM C CA . PHE C 3 160 ? 58.972 -63.782 -78.086 1.00 68.12 ? 182 PHE C CA 1 ? ? +9734 ATOM C CB . PHE C 3 160 ? 58.671 -64.880 -77.023 1.00 68.11 ? 182 PHE C CB 1 ? ? +9735 ATOM C CG . PHE C 3 160 ? 59.851 -65.724 -76.604 1.00 69.06 ? 182 PHE C CG 1 ? ? +9736 ATOM C CD1 . PHE C 3 160 ? 60.338 -66.729 -77.424 1.00 70.04 ? 182 PHE C CD1 1 ? ? +9737 ATOM C CD2 . PHE C 3 160 ? 60.479 -65.510 -75.388 1.00 69.14 ? 182 PHE C CD2 1 ? ? +9738 ATOM C CE1 . PHE C 3 160 ? 61.463 -67.493 -77.040 1.00 70.86 ? 182 PHE C CE1 1 ? ? +9739 ATOM C CE2 . PHE C 3 160 ? 61.587 -66.275 -75.002 1.00 69.97 ? 182 PHE C CE2 1 ? ? +9740 ATOM C CZ . PHE C 3 160 ? 62.073 -67.260 -75.830 1.00 70.80 ? 182 PHE C CZ 1 ? ? +9741 ATOM C C . PHE C 3 160 ? 57.681 -63.075 -78.495 1.00 67.10 ? 182 PHE C C 1 ? ? +9742 ATOM O O . PHE C 3 160 ? 56.613 -63.381 -77.970 1.00 66.41 ? 182 PHE C O 1 ? ? +9743 ATOM N N . GLY C 3 161 ? 57.792 -62.146 -79.453 1.00 66.98 ? 183 GLY C N 1 ? ? +9744 ATOM C CA . GLY C 3 161 ? 56.634 -61.572 -80.119 1.00 66.28 ? 183 GLY C CA 1 ? ? +9745 ATOM C C . GLY C 3 161 ? 56.277 -60.159 -79.667 1.00 65.49 ? 183 GLY C C 1 ? ? +9746 ATOM O O . GLY C 3 161 ? 55.726 -59.382 -80.446 1.00 65.27 ? 183 GLY C O 1 ? ? +9747 ATOM N N . GLY C 3 162 ? 56.594 -59.842 -78.405 1.00 65.00 ? 184 GLY C N 1 ? ? +9748 ATOM C CA . GLY C 3 162 ? 56.336 -58.528 -77.845 1.00 64.23 ? 184 GLY C CA 1 ? ? +9749 ATOM C C . GLY C 3 162 ? 55.039 -58.485 -77.045 1.00 63.20 ? 184 GLY C C 1 ? ? +9750 ATOM O O . GLY C 3 162 ? 54.547 -59.514 -76.588 1.00 63.02 ? 184 GLY C O 1 ? ? +9751 ATOM N N . LEU C 3 163 ? 54.503 -57.270 -76.891 1.00 62.45 ? 185 LEU C N 1 ? ? +9752 ATOM C CA . LEU C 3 163 ? 53.292 -57.019 -76.138 1.00 61.44 ? 185 LEU C CA 1 ? ? +9753 ATOM C CB . LEU C 3 163 ? 53.650 -56.290 -74.850 1.00 61.01 ? 185 LEU C CB 1 ? ? +9754 ATOM C CG . LEU C 3 163 ? 54.546 -57.017 -73.891 1.00 61.31 ? 185 LEU C CG 1 ? ? +9755 ATOM C CD1 . LEU C 3 163 ? 54.760 -56.209 -72.661 1.00 60.90 ? 185 LEU C CD1 1 ? ? +9756 ATOM C CD2 . LEU C 3 163 ? 53.982 -58.355 -73.508 1.00 61.22 ? 185 LEU C CD2 1 ? ? +9757 ATOM C C . LEU C 3 163 ? 52.361 -56.154 -76.982 1.00 61.07 ? 185 LEU C C 1 ? ? +9758 ATOM O O . LEU C 3 163 ? 52.816 -55.458 -77.888 1.00 61.39 ? 185 LEU C O 1 ? ? +9759 ATOM N N . TYR C 3 164 ? 51.057 -56.194 -76.667 1.00 60.40 ? 186 TYR C N 1 ? ? +9760 ATOM C CA . TYR C 3 164 ? 50.098 -55.329 -77.330 1.00 60.04 ? 186 TYR C CA 1 ? ? +9761 ATOM C CB . TYR C 3 164 ? 48.642 -55.732 -77.083 1.00 59.39 ? 186 TYR C CB 1 ? ? +9762 ATOM C CG . TYR C 3 164 ? 47.725 -54.841 -77.883 1.00 59.05 ? 186 TYR C CG 1 ? ? +9763 ATOM C CD1 . TYR C 3 164 ? 47.538 -55.047 -79.243 1.00 59.47 ? 186 TYR C CD1 1 ? ? +9764 ATOM C CD2 . TYR C 3 164 ? 47.137 -53.729 -77.312 1.00 58.40 ? 186 TYR C CD2 1 ? ? +9765 ATOM C CE1 . TYR C 3 164 ? 46.743 -54.201 -79.999 1.00 59.25 ? 186 TYR C CE1 1 ? ? +9766 ATOM C CE2 . TYR C 3 164 ? 46.347 -52.869 -78.057 1.00 58.20 ? 186 TYR C CE2 1 ? ? +9767 ATOM C CZ . TYR C 3 164 ? 46.151 -53.108 -79.405 1.00 58.66 ? 186 TYR C CZ 1 ? ? +9768 ATOM O OH . TYR C 3 164 ? 45.354 -52.268 -80.151 1.00 58.57 ? 186 TYR C OH 1 ? ? +9769 ATOM C C . TYR C 3 164 ? 50.317 -53.903 -76.837 1.00 59.80 ? 186 TYR C C 1 ? ? +9770 ATOM O O . TYR C 3 164 ? 50.297 -53.658 -75.636 1.00 59.38 ? 186 TYR C O 1 ? ? +9771 ATOM N N . ASP C 3 165 ? 50.529 -52.970 -77.770 1.00 60.16 ? 187 ASP C N 1 ? ? +9772 ATOM C CA . ASP C 3 165 ? 50.774 -51.579 -77.425 1.00 60.04 ? 187 ASP C CA 1 ? ? +9773 ATOM C CB . ASP C 3 165 ? 52.133 -51.108 -77.979 1.00 60.70 ? 187 ASP C CB 1 ? ? +9774 ATOM C CG . ASP C 3 165 ? 52.497 -49.702 -77.594 1.00 60.49 ? 187 ASP C CG 1 ? ? +9775 ATOM O OD1 . ASP C 3 165 ? 51.829 -49.140 -76.703 1.00 59.78 ? 187 ASP C OD1 1 ? ? +9776 ATOM O OD2 . ASP C 3 165 ? 53.441 -49.150 -78.196 1.00 61.09 ? 187 ASP C OD2 1 ? ? +9777 ATOM C C . ASP C 3 165 ? 49.637 -50.707 -77.957 1.00 59.74 ? 187 ASP C C 1 ? ? +9778 ATOM O O . ASP C 3 165 ? 49.547 -50.450 -79.152 1.00 60.08 ? 187 ASP C O 1 ? ? +9779 ATOM N N . THR C 3 166 ? 48.774 -50.241 -77.054 1.00 59.19 ? 188 THR C N 1 ? ? +9780 ATOM C CA . THR C 3 166 ? 47.684 -49.370 -77.452 1.00 58.97 ? 188 THR C CA 1 ? ? +9781 ATOM C CB . THR C 3 166 ? 46.721 -49.168 -76.293 1.00 58.05 ? 188 THR C CB 1 ? ? +9782 ATOM O OG1 . THR C 3 166 ? 45.522 -48.621 -76.821 1.00 57.55 ? 188 THR C OG1 1 ? ? +9783 ATOM C CG2 . THR C 3 166 ? 47.290 -48.258 -75.205 1.00 57.77 ? 188 THR C CG2 1 ? ? +9784 ATOM C C . THR C 3 166 ? 48.170 -48.022 -77.981 1.00 59.59 ? 188 THR C C 1 ? ? +9785 ATOM O O . THR C 3 166 ? 47.459 -47.348 -78.726 1.00 59.51 ? 188 THR C O 1 ? ? +9786 ATOM N N . TRP C 3 167 ? 49.383 -47.623 -77.576 1.00 60.48 ? 189 TRP C N 1 ? ? +9787 ATOM C CA . TRP C 3 167 ? 49.956 -46.361 -78.009 1.00 61.08 ? 189 TRP C CA 1 ? ? +9788 ATOM C CB . TRP C 3 167 ? 50.896 -45.811 -76.946 1.00 60.80 ? 189 TRP C CB 1 ? ? +9789 ATOM C CG . TRP C 3 167 ? 50.227 -45.483 -75.657 1.00 59.79 ? 189 TRP C CG 1 ? ? +9790 ATOM C CD1 . TRP C 3 167 ? 50.245 -46.234 -74.528 1.00 59.42 ? 189 TRP C CD1 1 ? ? +9791 ATOM N NE1 . TRP C 3 167 ? 49.523 -45.610 -73.531 1.00 58.67 ? 189 TRP C NE1 1 ? ? +9792 ATOM C CE2 . TRP C 3 167 ? 49.043 -44.416 -74.006 1.00 58.42 ? 189 TRP C CE2 1 ? ? +9793 ATOM C CZ2 . TRP C 3 167 ? 48.276 -43.432 -73.376 1.00 57.74 ? 189 TRP C CZ2 1 ? ? +9794 ATOM C CH2 . TRP C 3 167 ? 47.925 -42.330 -74.116 1.00 57.68 ? 189 TRP C CH2 1 ? ? +9795 ATOM C CZ3 . TRP C 3 167 ? 48.322 -42.192 -75.451 1.00 58.29 ? 189 TRP C CZ3 1 ? ? +9796 ATOM C CE3 . TRP C 3 167 ? 49.084 -43.165 -76.077 1.00 58.96 ? 189 TRP C CE3 1 ? ? +9797 ATOM C CD2 . TRP C 3 167 ? 49.462 -44.303 -75.348 1.00 59.08 ? 189 TRP C CD2 1 ? ? +9798 ATOM C C . TRP C 3 167 ? 50.706 -46.446 -79.331 1.00 62.71 ? 189 TRP C C 1 ? ? +9799 ATOM O O . TRP C 3 167 ? 51.234 -45.437 -79.778 1.00 63.15 ? 189 TRP C O 1 ? ? +9800 ATOM N N . ALA C 3 168 ? 50.731 -47.626 -79.964 1.00 64.22 ? 190 ALA C N 1 ? ? +9801 ATOM C CA . ALA C 3 168 ? 51.521 -47.827 -81.174 1.00 66.23 ? 190 ALA C CA 1 ? ? +9802 ATOM C CB . ALA C 3 168 ? 51.506 -49.285 -81.597 1.00 66.49 ? 190 ALA C CB 1 ? ? +9803 ATOM C C . ALA C 3 168 ? 51.036 -46.955 -82.331 1.00 67.90 ? 190 ALA C C 1 ? ? +9804 ATOM O O . ALA C 3 168 ? 49.835 -46.821 -82.556 1.00 67.72 ? 190 ALA C O 1 ? ? +9805 ATOM N N . PRO C 3 169 ? 51.959 -46.401 -83.149 1.00 70.60 ? 191 PRO C N 1 ? ? +9806 ATOM C CA . PRO C 3 169 ? 51.633 -45.279 -84.032 1.00 71.75 ? 191 PRO C CA 1 ? ? +9807 ATOM C CB . PRO C 3 169 ? 52.949 -45.031 -84.771 1.00 72.80 ? 191 PRO C CB 1 ? ? +9808 ATOM C CG . PRO C 3 169 ? 54.034 -45.644 -83.863 1.00 72.88 ? 191 PRO C CG 1 ? ? +9809 ATOM C CD . PRO C 3 169 ? 53.358 -46.848 -83.279 1.00 72.11 ? 191 PRO C CD 1 ? ? +9810 ATOM C C . PRO C 3 169 ? 50.509 -45.492 -85.042 1.00 72.95 ? 191 PRO C C 1 ? ? +9811 ATOM O O . PRO C 3 169 ? 49.940 -44.513 -85.522 1.00 74.41 ? 191 PRO C O 1 ? ? +9812 ATOM N N . GLY C 3 170 ? 50.181 -46.753 -85.360 1.00 73.34 ? 192 GLY C N 1 ? ? +9813 ATOM C CA . GLY C 3 170 ? 49.179 -47.045 -86.374 1.00 72.98 ? 192 GLY C CA 1 ? ? +9814 ATOM C C . GLY C 3 170 ? 47.742 -47.248 -85.901 1.00 71.72 ? 192 GLY C C 1 ? ? +9815 ATOM O O . GLY C 3 170 ? 46.898 -47.606 -86.711 1.00 72.89 ? 192 GLY C O 1 ? ? +9816 ATOM N N . GLY C 3 171 ? 47.456 -47.000 -84.619 1.00 70.29 ? 193 GLY C N 1 ? ? +9817 ATOM C CA . GLY C 3 171 ? 46.148 -47.305 -84.046 1.00 68.79 ? 193 GLY C CA 1 ? ? +9818 ATOM C C . GLY C 3 171 ? 46.145 -48.438 -83.017 1.00 67.59 ? 193 GLY C C 1 ? ? +9819 ATOM O O . GLY C 3 171 ? 45.079 -48.849 -82.537 1.00 67.22 ? 193 GLY C O 1 ? ? +9820 ATOM N N . GLY C 3 172 ? 47.350 -48.911 -82.662 1.00 66.70 ? 194 GLY C N 1 ? ? +9821 ATOM C CA . GLY C 3 172 ? 47.523 -49.988 -81.703 1.00 65.70 ? 194 GLY C CA 1 ? ? +9822 ATOM C C . GLY C 3 172 ? 47.916 -51.287 -82.405 1.00 65.71 ? 194 GLY C C 1 ? ? +9823 ATOM O O . GLY C 3 172 ? 47.302 -51.666 -83.401 1.00 65.92 ? 194 GLY C O 1 ? ? +9824 ATOM N N . ASP C 3 173 ? 48.948 -51.962 -81.889 1.00 65.29 ? 195 ASP C N 1 ? ? +9825 ATOM C CA . ASP C 3 173 ? 49.440 -53.177 -82.514 1.00 65.40 ? 195 ASP C CA 1 ? ? +9826 ATOM C CB . ASP C 3 173 ? 50.175 -52.827 -83.821 1.00 66.26 ? 195 ASP C CB 1 ? ? +9827 ATOM C CG . ASP C 3 173 ? 50.335 -53.950 -84.826 1.00 66.95 ? 195 ASP C CG 1 ? ? +9828 ATOM O OD1 . ASP C 3 173 ? 49.833 -55.071 -84.559 1.00 67.00 ? 195 ASP C OD1 1 ? ? +9829 ATOM O OD2 . ASP C 3 173 ? 50.954 -53.709 -85.880 1.00 67.60 ? 195 ASP C OD2 1 ? ? +9830 ATOM C C . ASP C 3 173 ? 50.361 -53.917 -81.551 1.00 64.94 ? 195 ASP C C 1 ? ? +9831 ATOM O O . ASP C 3 173 ? 50.702 -53.399 -80.494 1.00 64.53 ? 195 ASP C O 1 ? ? +9832 ATOM N N . VAL C 3 174 ? 50.731 -55.145 -81.918 1.00 64.90 ? 196 VAL C N 1 ? ? +9833 ATOM C CA . VAL C 3 174 ? 51.730 -55.900 -81.183 1.00 64.82 ? 196 VAL C CA 1 ? ? +9834 ATOM C CB . VAL C 3 174 ? 51.592 -57.426 -81.395 1.00 65.09 ? 196 VAL C CB 1 ? ? +9835 ATOM C CG1 . VAL C 3 174 ? 52.644 -58.202 -80.625 1.00 65.36 ? 196 VAL C CG1 1 ? ? +9836 ATOM C CG2 . VAL C 3 174 ? 50.184 -57.888 -80.998 1.00 64.52 ? 196 VAL C CG2 1 ? ? +9837 ATOM C C . VAL C 3 174 ? 53.091 -55.369 -81.609 1.00 65.14 ? 196 VAL C C 1 ? ? +9838 ATOM O O . VAL C 3 174 ? 53.355 -55.176 -82.794 1.00 65.68 ? 196 VAL C O 1 ? ? +9839 ATOM N N . ARG C 3 175 ? 53.943 -55.133 -80.613 1.00 64.74 ? 197 ARG C N 1 ? ? +9840 ATOM C CA . ARG C 3 175 ? 55.222 -54.488 -80.832 1.00 64.99 ? 197 ARG C CA 1 ? ? +9841 ATOM C CB . ARG C 3 175 ? 55.073 -52.983 -80.581 1.00 64.41 ? 197 ARG C CB 1 ? ? +9842 ATOM C CG . ARG C 3 175 ? 56.365 -52.243 -80.527 1.00 64.79 ? 197 ARG C CG 1 ? ? +9843 ATOM C CD . ARG C 3 175 ? 56.170 -50.739 -80.514 1.00 64.31 ? 197 ARG C CD 1 ? ? +9844 ATOM N NE . ARG C 3 175 ? 55.816 -50.260 -79.184 1.00 63.45 ? 197 ARG C NE 1 ? ? +9845 ATOM C CZ . ARG C 3 175 ? 56.692 -49.847 -78.283 1.00 63.37 ? 197 ARG C CZ 1 ? ? +9846 ATOM N NH1 . ARG C 3 175 ? 57.984 -50.075 -78.424 1.00 64.14 ? 197 ARG C NH1 1 ? ? +9847 ATOM N NH2 . ARG C 3 175 ? 56.262 -49.214 -77.202 1.00 62.60 ? 197 ARG C NH2 1 ? ? +9848 ATOM C C . ARG C 3 175 ? 56.260 -55.115 -79.912 1.00 65.18 ? 197 ARG C C 1 ? ? +9849 ATOM O O . ARG C 3 175 ? 55.995 -55.341 -78.733 1.00 64.49 ? 197 ARG C O 1 ? ? +9850 ATOM N N . VAL C 3 176 ? 57.437 -55.397 -80.480 1.00 66.07 ? 198 VAL C N 1 ? ? +9851 ATOM C CA . VAL C 3 176 ? 58.576 -55.854 -79.703 1.00 66.51 ? 198 VAL C CA 1 ? ? +9852 ATOM C CB . VAL C 3 176 ? 59.612 -56.616 -80.564 1.00 67.45 ? 198 VAL C CB 1 ? ? +9853 ATOM C CG1 . VAL C 3 176 ? 60.791 -57.106 -79.721 1.00 67.93 ? 198 VAL C CG1 1 ? ? +9854 ATOM C CG2 . VAL C 3 176 ? 58.960 -57.783 -81.295 1.00 67.49 ? 198 VAL C CG2 1 ? ? +9855 ATOM C C . VAL C 3 176 ? 59.157 -54.620 -79.020 1.00 66.41 ? 198 VAL C C 1 ? ? +9856 ATOM O O . VAL C 3 176 ? 59.230 -53.553 -79.626 1.00 66.44 ? 198 VAL C O 1 ? ? +9857 ATOM N N . ILE C 3 177 ? 59.513 -54.776 -77.740 1.00 66.30 ? 199 ILE C N 1 ? ? +9858 ATOM C CA . ILE C 3 177 ? 60.150 -53.719 -76.972 1.00 66.39 ? 199 ILE C CA 1 ? ? +9859 ATOM C CB . ILE C 3 177 ? 59.652 -53.707 -75.515 1.00 65.72 ? 199 ILE C CB 1 ? ? +9860 ATOM C CG1 . ILE C 3 177 ? 58.264 -53.083 -75.380 1.00 64.75 ? 199 ILE C CG1 1 ? ? +9861 ATOM C CG2 . ILE C 3 177 ? 60.642 -52.979 -74.593 1.00 65.97 ? 199 ILE C CG2 1 ? ? +9862 ATOM C CD1 . ILE C 3 177 ? 57.192 -53.795 -76.085 1.00 64.54 ? 199 ILE C CD1 1 ? ? +9863 ATOM C C . ILE C 3 177 ? 61.657 -53.939 -77.032 1.00 67.38 ? 199 ILE C C 1 ? ? +9864 ATOM O O . ILE C 3 177 ? 62.169 -54.824 -76.357 1.00 67.52 ? 199 ILE C O 1 ? ? +9865 ATOM N N . THR C 3 178 ? 62.354 -53.138 -77.840 1.00 68.18 ? 200 THR C N 1 ? ? +9866 ATOM C CA . THR C 3 178 ? 63.788 -53.324 -78.026 1.00 69.45 ? 200 THR C CA 1 ? ? +9867 ATOM C CB . THR C 3 178 ? 64.208 -52.969 -79.457 1.00 70.06 ? 200 THR C CB 1 ? ? +9868 ATOM O OG1 . THR C 3 178 ? 63.811 -51.635 -79.755 1.00 69.79 ? 200 THR C OG1 1 ? ? +9869 ATOM C CG2 . THR C 3 178 ? 63.598 -53.889 -80.470 1.00 70.13 ? 200 THR C CG2 1 ? ? +9870 ATOM C C . THR C 3 178 ? 64.599 -52.558 -76.983 1.00 69.74 ? 200 THR C C 1 ? ? +9871 ATOM O O . THR C 3 178 ? 65.656 -53.028 -76.585 1.00 70.42 ? 200 THR C O 1 ? ? +9872 ATOM N N . ASN C 3 179 ? 64.084 -51.403 -76.530 1.00 69.42 ? 201 ASN C N 1 ? ? +9873 ATOM C CA . ASN C 3 179 ? 64.790 -50.545 -75.591 1.00 69.73 ? 201 ASN C CA 1 ? ? +9874 ATOM C CB . ASN C 3 179 ? 65.203 -49.252 -76.280 1.00 70.41 ? 201 ASN C CB 1 ? ? +9875 ATOM C CG . ASN C 3 179 ? 66.201 -49.525 -77.401 1.00 71.95 ? 201 ASN C CG 1 ? ? +9876 ATOM O OD1 . ASN C 3 179 ? 66.358 -50.660 -77.913 1.00 72.46 ? 201 ASN C OD1 1 ? ? +9877 ATOM N ND2 . ASN C 3 179 ? 66.918 -48.495 -77.841 1.00 72.83 ? 201 ASN C ND2 1 ? ? +9878 ATOM C C . ASN C 3 179 ? 63.982 -50.264 -74.328 1.00 68.60 ? 201 ASN C C 1 ? ? +9879 ATOM O O . ASN C 3 179 ? 63.399 -49.191 -74.177 1.00 67.75 ? 201 ASN C O 1 ? ? +9880 ATOM N N . PRO C 3 180 ? 63.965 -51.219 -73.368 1.00 68.45 ? 202 PRO C N 1 ? ? +9881 ATOM C CA . PRO C 3 180 ? 63.279 -51.026 -72.093 1.00 67.64 ? 202 PRO C CA 1 ? ? +9882 ATOM C CB . PRO C 3 180 ? 63.311 -52.433 -71.480 1.00 67.68 ? 202 PRO C CB 1 ? ? +9883 ATOM C CG . PRO C 3 180 ? 64.565 -53.047 -72.031 1.00 68.69 ? 202 PRO C CG 1 ? ? +9884 ATOM C CD . PRO C 3 180 ? 64.649 -52.525 -73.443 1.00 69.06 ? 202 PRO C CD 1 ? ? +9885 ATOM C C . PRO C 3 180 ? 64.015 -50.007 -71.230 1.00 67.83 ? 202 PRO C C 1 ? ? +9886 ATOM O O . PRO C 3 180 ? 65.237 -49.942 -71.257 1.00 68.94 ? 202 PRO C O 1 ? ? +9887 ATOM N N . THR C 3 181 ? 63.266 -49.239 -70.445 1.00 67.13 ? 203 THR C N 1 ? ? +9888 ATOM C CA . THR C 3 181 ? 63.835 -48.221 -69.580 1.00 67.31 ? 203 THR C CA 1 ? ? +9889 ATOM C CB . THR C 3 181 ? 62.736 -47.342 -69.025 1.00 66.26 ? 203 THR C CB 1 ? ? +9890 ATOM O OG1 . THR C 3 181 ? 61.863 -46.978 -70.087 1.00 65.80 ? 203 THR C OG1 1 ? ? +9891 ATOM C CG2 . THR C 3 181 ? 63.277 -46.126 -68.357 1.00 66.31 ? 203 THR C CG2 1 ? ? +9892 ATOM C C . THR C 3 181 ? 64.610 -48.833 -68.418 1.00 68.00 ? 203 THR C C 1 ? ? +9893 ATOM O O . THR C 3 181 ? 64.033 -49.508 -67.574 1.00 67.50 ? 203 THR C O 1 ? ? +9894 ATOM N N . LEU C 3 182 ? 65.919 -48.567 -68.358 1.00 69.38 ? 204 LEU C N 1 ? ? +9895 ATOM C CA . LEU C 3 182 ? 66.753 -49.085 -67.283 1.00 70.13 ? 204 LEU C CA 1 ? ? +9896 ATOM C CB . LEU C 3 182 ? 67.966 -49.760 -67.898 1.00 71.41 ? 204 LEU C CB 1 ? ? +9897 ATOM C CG . LEU C 3 182 ? 67.631 -50.955 -68.805 1.00 71.73 ? 204 LEU C CG 1 ? ? +9898 ATOM C CD1 . LEU C 3 182 ? 68.859 -51.473 -69.517 1.00 72.88 ? 204 LEU C CD1 1 ? ? +9899 ATOM C CD2 . LEU C 3 182 ? 66.930 -52.093 -68.014 1.00 71.32 ? 204 LEU C CD2 1 ? ? +9900 ATOM C C . LEU C 3 182 ? 67.180 -48.016 -66.281 1.00 70.35 ? 204 LEU C C 1 ? ? +9901 ATOM O O . LEU C 3 182 ? 67.610 -48.342 -65.182 1.00 70.10 ? 204 LEU C O 1 ? ? +9902 ATOM N N . ASP C 3 183 ? 67.015 -46.743 -66.654 1.00 70.92 ? 205 ASP C N 1 ? ? +9903 ATOM C CA . ASP C 3 183 ? 67.405 -45.628 -65.812 1.00 71.85 ? 205 ASP C CA 1 ? ? +9904 ATOM C CB . ASP C 3 183 ? 67.188 -44.318 -66.597 1.00 72.34 ? 205 ASP C CB 1 ? ? +9905 ATOM C CG . ASP C 3 183 ? 67.656 -43.053 -65.903 1.00 72.94 ? 205 ASP C CG 1 ? ? +9906 ATOM O OD1 . ASP C 3 183 ? 68.130 -43.146 -64.744 1.00 73.31 ? 205 ASP C OD1 1 ? ? +9907 ATOM O OD2 . ASP C 3 183 ? 67.548 -41.969 -66.517 1.00 73.40 ? 205 ASP C OD2 1 ? ? +9908 ATOM C C . ASP C 3 183 ? 66.630 -45.630 -64.492 1.00 71.61 ? 205 ASP C C 1 ? ? +9909 ATOM O O . ASP C 3 183 ? 65.408 -45.464 -64.479 1.00 70.59 ? 205 ASP C O 1 ? ? +9910 ATOM N N . PRO C 3 184 ? 67.317 -45.794 -63.334 1.00 72.41 ? 206 PRO C N 1 ? ? +9911 ATOM C CA . PRO C 3 184 ? 66.629 -45.933 -62.048 1.00 71.99 ? 206 PRO C CA 1 ? ? +9912 ATOM C CB . PRO C 3 184 ? 67.783 -46.235 -61.071 1.00 72.58 ? 206 PRO C CB 1 ? ? +9913 ATOM C CG . PRO C 3 184 ? 68.988 -45.664 -61.714 1.00 73.26 ? 206 PRO C CG 1 ? ? +9914 ATOM C CD . PRO C 3 184 ? 68.783 -45.828 -63.193 1.00 73.37 ? 206 PRO C CD 1 ? ? +9915 ATOM C C . PRO C 3 184 ? 65.840 -44.700 -61.612 1.00 71.46 ? 206 PRO C C 1 ? ? +9916 ATOM O O . PRO C 3 184 ? 64.907 -44.817 -60.827 1.00 70.92 ? 206 PRO C O 1 ? ? +9917 ATOM N N . ARG C 3 185 ? 66.227 -43.519 -62.108 1.00 72.26 ? 207 ARG C N 1 ? ? +9918 ATOM C CA . ARG C 3 185 ? 65.531 -42.294 -61.757 1.00 71.97 ? 207 ARG C CA 1 ? ? +9919 ATOM C CB . ARG C 3 185 ? 66.291 -41.032 -62.220 1.00 73.61 ? 207 ARG C CB 1 ? ? +9920 ATOM C CG . ARG C 3 185 ? 67.501 -40.675 -61.358 1.00 76.21 ? 207 ARG C CG 1 ? ? +9921 ATOM C CD . ARG C 3 185 ? 68.848 -41.028 -62.020 1.00 78.70 ? 207 ARG C CD 1 ? ? +9922 ATOM N NE . ARG C 3 185 ? 69.053 -40.234 -63.230 1.00 80.75 ? 207 ARG C NE 1 ? ? +9923 ATOM C CZ . ARG C 3 185 ? 69.940 -40.502 -64.181 1.00 83.84 ? 207 ARG C CZ 1 ? ? +9924 ATOM N NH1 . ARG C 3 185 ? 70.958 -41.330 -63.976 1.00 85.34 ? 207 ARG C NH1 1 ? ? +9925 ATOM N NH2 . ARG C 3 185 ? 69.801 -39.920 -65.371 1.00 84.94 ? 207 ARG C NH2 1 ? ? +9926 ATOM C C . ARG C 3 185 ? 64.121 -42.277 -62.340 1.00 70.30 ? 207 ARG C C 1 ? ? +9927 ATOM O O . ARG C 3 185 ? 63.254 -41.597 -61.804 1.00 69.16 ? 207 ARG C O 1 ? ? +9928 ATOM N N . VAL C 3 186 ? 63.917 -42.983 -63.461 1.00 69.90 ? 208 VAL C N 1 ? ? +9929 ATOM C CA . VAL C 3 186 ? 62.607 -43.077 -64.082 1.00 68.86 ? 208 VAL C CA 1 ? ? +9930 ATOM C CB . VAL C 3 186 ? 62.689 -43.304 -65.618 1.00 69.42 ? 208 VAL C CB 1 ? ? +9931 ATOM C CG1 . VAL C 3 186 ? 61.318 -43.536 -66.229 1.00 68.72 ? 208 VAL C CG1 1 ? ? +9932 ATOM C CG2 . VAL C 3 186 ? 63.375 -42.135 -66.312 1.00 70.26 ? 208 VAL C CG2 1 ? ? +9933 ATOM C C . VAL C 3 186 ? 61.823 -44.184 -63.378 1.00 67.79 ? 208 VAL C C 1 ? ? +9934 ATOM O O . VAL C 3 186 ? 60.679 -43.981 -62.964 1.00 66.81 ? 208 VAL C O 1 ? ? +9935 ATOM N N . ILE C 3 187 ? 62.462 -45.348 -63.235 1.00 67.73 ? 209 ILE C N 1 ? ? +9936 ATOM C CA . ILE C 3 187 ? 61.806 -46.507 -62.660 1.00 67.08 ? 209 ILE C CA 1 ? ? +9937 ATOM C CB . ILE C 3 187 ? 62.678 -47.766 -62.780 1.00 67.70 ? 209 ILE C CB 1 ? ? +9938 ATOM C CG1 . ILE C 3 187 ? 62.920 -48.157 -64.254 1.00 68.09 ? 209 ILE C CG1 1 ? ? +9939 ATOM C CG2 . ILE C 3 187 ? 62.056 -48.922 -61.996 1.00 67.37 ? 209 ILE C CG2 1 ? ? +9940 ATOM C CD1 . ILE C 3 187 ? 61.647 -48.424 -65.098 1.00 67.38 ? 209 ILE C CD1 1 ? ? +9941 ATOM C C . ILE C 3 187 ? 61.393 -46.252 -61.214 1.00 66.37 ? 209 ILE C C 1 ? ? +9942 ATOM O O . ILE C 3 187 ? 60.214 -46.391 -60.881 1.00 66.04 ? 209 ILE C O 1 ? ? +9943 ATOM N N . PHE C 3 188 ? 62.349 -45.867 -60.361 1.00 66.29 ? 210 PHE C N 1 ? ? +9944 ATOM C CA . PHE C 3 188 ? 62.030 -45.601 -58.966 1.00 65.70 ? 210 PHE C CA 1 ? ? +9945 ATOM C CB . PHE C 3 188 ? 63.279 -45.730 -58.092 1.00 66.78 ? 210 PHE C CB 1 ? ? +9946 ATOM C CG . PHE C 3 188 ? 63.800 -47.148 -58.035 1.00 67.81 ? 210 PHE C CG 1 ? ? +9947 ATOM C CD2 . PHE C 3 188 ? 64.860 -47.544 -58.833 1.00 69.03 ? 210 PHE C CD2 1 ? ? +9948 ATOM C CD1 . PHE C 3 188 ? 63.235 -48.082 -57.176 1.00 67.67 ? 210 PHE C CD1 1 ? ? +9949 ATOM C CE2 . PHE C 3 188 ? 65.342 -48.847 -58.781 1.00 69.79 ? 210 PHE C CE2 1 ? ? +9950 ATOM C CE1 . PHE C 3 188 ? 63.706 -49.387 -57.137 1.00 68.45 ? 210 PHE C CE1 1 ? ? +9951 ATOM C CZ . PHE C 3 188 ? 64.767 -49.760 -57.929 1.00 69.46 ? 210 PHE C CZ 1 ? ? +9952 ATOM C C . PHE C 3 188 ? 61.327 -44.259 -58.753 1.00 64.38 ? 210 PHE C C 1 ? ? +9953 ATOM O O . PHE C 3 188 ? 60.695 -44.047 -57.718 1.00 63.46 ? 210 PHE C O 1 ? ? +9954 ATOM N N . GLY C 3 189 ? 61.411 -43.374 -59.754 1.00 63.96 ? 211 GLY C N 1 ? ? +9955 ATOM C CA . GLY C 3 189 ? 60.707 -42.104 -59.728 1.00 62.92 ? 211 GLY C CA 1 ? ? +9956 ATOM C C . GLY C 3 189 ? 59.195 -42.281 -59.701 1.00 61.68 ? 211 GLY C C 1 ? ? +9957 ATOM O O . GLY C 3 189 ? 58.478 -41.461 -59.137 1.00 61.30 ? 211 GLY C O 1 ? ? +9958 ATOM N N . TYR C 3 190 ? 58.715 -43.347 -60.342 1.00 61.15 ? 212 TYR C N 1 ? ? +9959 ATOM C CA . TYR C 3 190 ? 57.309 -43.709 -60.298 1.00 59.94 ? 212 TYR C CA 1 ? ? +9960 ATOM C CB . TYR C 3 190 ? 57.066 -44.961 -61.143 1.00 59.88 ? 212 TYR C CB 1 ? ? +9961 ATOM C CG . TYR C 3 190 ? 56.789 -44.712 -62.607 1.00 59.68 ? 212 TYR C CG 1 ? ? +9962 ATOM C CD1 . TYR C 3 190 ? 55.569 -44.197 -63.026 1.00 58.89 ? 212 TYR C CD1 1 ? ? +9963 ATOM C CD2 . TYR C 3 190 ? 57.731 -45.021 -63.575 1.00 60.30 ? 212 TYR C CD2 1 ? ? +9964 ATOM C CE1 . TYR C 3 190 ? 55.299 -43.990 -64.372 1.00 58.90 ? 212 TYR C CE1 1 ? ? +9965 ATOM C CE2 . TYR C 3 190 ? 57.477 -44.810 -64.924 1.00 60.32 ? 212 TYR C CE2 1 ? ? +9966 ATOM C CZ . TYR C 3 190 ? 56.257 -44.298 -65.321 1.00 59.63 ? 212 TYR C CZ 1 ? ? +9967 ATOM O OH . TYR C 3 190 ? 55.989 -44.111 -66.651 1.00 59.61 ? 212 TYR C OH 1 ? ? +9968 ATOM C C . TYR C 3 190 ? 56.835 -43.971 -58.874 1.00 59.44 ? 212 TYR C C 1 ? ? +9969 ATOM O O . TYR C 3 190 ? 55.699 -43.645 -58.530 1.00 58.63 ? 212 TYR C O 1 ? ? +9970 ATOM N N . LEU C 3 191 ? 57.710 -44.579 -58.061 1.00 59.85 ? 213 LEU C N 1 ? ? +9971 ATOM C CA . LEU C 3 191 ? 57.389 -44.926 -56.684 1.00 59.49 ? 213 LEU C CA 1 ? ? +9972 ATOM C CB . LEU C 3 191 ? 58.465 -45.825 -56.062 1.00 60.48 ? 213 LEU C CB 1 ? ? +9973 ATOM C CG . LEU C 3 191 ? 58.235 -47.316 -56.166 1.00 60.83 ? 213 LEU C CG 1 ? ? +9974 ATOM C CD1 . LEU C 3 191 ? 56.994 -47.743 -55.400 1.00 60.14 ? 213 LEU C CD1 1 ? ? +9975 ATOM C CD2 . LEU C 3 191 ? 58.084 -47.738 -57.583 1.00 61.19 ? 213 LEU C CD2 1 ? ? +9976 ATOM C C . LEU C 3 191 ? 57.233 -43.720 -55.772 1.00 58.91 ? 213 LEU C C 1 ? ? +9977 ATOM O O . LEU C 3 191 ? 56.563 -43.830 -54.753 1.00 58.34 ? 213 LEU C O 1 ? ? +9978 ATOM N N . LEU C 3 192 ? 57.884 -42.601 -56.110 1.00 59.10 ? 214 LEU C N 1 ? ? +9979 ATOM C CA . LEU C 3 192 ? 57.818 -41.409 -55.277 1.00 58.73 ? 214 LEU C CA 1 ? ? +9980 ATOM C CB . LEU C 3 192 ? 59.207 -40.765 -55.185 1.00 59.43 ? 214 LEU C CB 1 ? ? +9981 ATOM C CG . LEU C 3 192 ? 60.325 -41.681 -54.684 1.00 60.16 ? 214 LEU C CG 1 ? ? +9982 ATOM C CD1 . LEU C 3 192 ? 61.643 -40.948 -54.641 1.00 60.94 ? 214 LEU C CD1 1 ? ? +9983 ATOM C CD2 . LEU C 3 192 ? 60.016 -42.243 -53.310 1.00 59.82 ? 214 LEU C CD2 1 ? ? +9984 ATOM C C . LEU C 3 192 ? 56.809 -40.378 -55.771 1.00 57.98 ? 214 LEU C C 1 ? ? +9985 ATOM O O . LEU C 3 192 ? 56.673 -39.323 -55.166 1.00 57.88 ? 214 LEU C O 1 ? ? +9986 ATOM N N . LYS C 3 193 ? 56.077 -40.683 -56.844 1.00 57.65 ? 215 LYS C N 1 ? ? +9987 ATOM C CA . LYS C 3 193 ? 54.999 -39.804 -57.280 1.00 57.08 ? 215 LYS C CA 1 ? ? +9988 ATOM C CB . LYS C 3 193 ? 54.428 -40.218 -58.642 1.00 57.38 ? 215 LYS C CB 1 ? ? +9989 ATOM C CG . LYS C 3 193 ? 55.206 -39.756 -59.835 1.00 58.30 ? 215 LYS C CG 1 ? ? +9990 ATOM C CD . LYS C 3 193 ? 54.719 -40.404 -61.136 1.00 58.60 ? 215 LYS C CD 1 ? ? +9991 ATOM C CE . LYS C 3 193 ? 53.714 -39.578 -61.887 1.00 58.34 ? 215 LYS C CE 1 ? ? +9992 ATOM N NZ . LYS C 3 193 ? 53.624 -40.070 -63.287 1.00 58.88 ? 215 LYS C NZ 1 ? ? +9993 ATOM C C . LYS C 3 193 ? 53.828 -39.801 -56.298 1.00 55.85 ? 215 LYS C C 1 ? ? +9994 ATOM O O . LYS C 3 193 ? 53.488 -40.832 -55.735 1.00 55.47 ? 215 LYS C O 1 ? ? +9995 ATOM N N . SER C 3 194 ? 53.216 -38.633 -56.106 1.00 55.20 ? 216 SER C N 1 ? ? +9996 ATOM C CA . SER C 3 194 ? 51.972 -38.525 -55.366 1.00 54.39 ? 216 SER C CA 1 ? ? +9997 ATOM C CB . SER C 3 194 ? 51.464 -37.086 -55.363 1.00 54.08 ? 216 SER C CB 1 ? ? +9998 ATOM O OG . SER C 3 194 ? 50.112 -36.997 -54.916 1.00 53.32 ? 216 SER C OG 1 ? ? +9999 ATOM C C . SER C 3 194 ? 50.888 -39.435 -55.948 1.00 53.82 ? 216 SER C C 1 ? ? +10000 ATOM O O . SER C 3 194 ? 50.780 -39.587 -57.164 1.00 53.99 ? 216 SER C O 1 ? ? +10001 ATOM N N A PRO C 3 195 ? 50.061 -40.082 -55.098 0.40 53.23 ? 217 PRO C N 1 ? ? +10002 ATOM N N B PRO C 3 195 ? 50.066 -40.085 -55.098 0.60 53.25 ? 217 PRO C N 1 ? ? +10003 ATOM C CA A PRO C 3 195 ? 48.946 -40.892 -55.585 0.40 52.81 ? 217 PRO C CA 1 ? ? +10004 ATOM C CA B PRO C 3 195 ? 48.949 -40.891 -55.586 0.60 52.86 ? 217 PRO C CA 1 ? ? +10005 ATOM C C A PRO C 3 195 ? 47.664 -40.106 -55.873 0.40 52.14 ? 217 PRO C C 1 ? ? +10006 ATOM C C B PRO C 3 195 ? 47.668 -40.108 -55.883 0.60 52.22 ? 217 PRO C C 1 ? ? +10007 ATOM O O A PRO C 3 195 ? 46.595 -40.700 -55.993 0.40 51.69 ? 217 PRO C O 1 ? ? +10008 ATOM O O B PRO C 3 195 ? 46.606 -40.706 -56.033 0.60 51.85 ? 217 PRO C O 1 ? ? +10009 ATOM C CB A PRO C 3 195 ? 48.743 -41.879 -54.435 0.40 52.67 ? 217 PRO C CB 1 ? ? +10010 ATOM C CB B PRO C 3 195 ? 48.750 -41.871 -54.433 0.60 52.72 ? 217 PRO C CB 1 ? ? +10011 ATOM C CG A PRO C 3 195 ? 49.156 -41.107 -53.205 0.40 52.63 ? 217 PRO C CG 1 ? ? +10012 ATOM C CG B PRO C 3 195 ? 49.128 -41.076 -53.218 0.60 52.65 ? 217 PRO C CG 1 ? ? +10013 ATOM C CD A PRO C 3 195 ? 50.212 -40.134 -53.634 0.40 53.09 ? 217 PRO C CD 1 ? ? +10014 ATOM C CD B PRO C 3 195 ? 50.212 -40.134 -53.635 0.60 53.11 ? 217 PRO C CD 1 ? ? +10015 ATOM N N A PHE C 3 196 ? 47.780 -38.775 -55.976 0.40 52.04 ? 218 PHE C N 1 ? ? +10016 ATOM N N B PHE C 3 196 ? 47.775 -38.777 -55.971 0.60 52.12 ? 218 PHE C N 1 ? ? +10017 ATOM C CA A PHE C 3 196 ? 46.630 -37.913 -56.199 0.40 51.46 ? 218 PHE C CA 1 ? ? +10018 ATOM C CA B PHE C 3 196 ? 46.623 -37.917 -56.192 0.60 51.54 ? 218 PHE C CA 1 ? ? +10019 ATOM C C A PHE C 3 196 ? 46.504 -37.516 -57.667 0.40 51.56 ? 218 PHE C C 1 ? ? +10020 ATOM C C B PHE C 3 196 ? 46.499 -37.528 -57.662 0.60 51.62 ? 218 PHE C C 1 ? ? +10021 ATOM O O A PHE C 3 196 ? 47.305 -37.920 -58.509 0.40 52.05 ? 218 PHE C O 1 ? ? +10022 ATOM O O B PHE C 3 196 ? 47.321 -37.910 -58.494 0.60 52.11 ? 218 PHE C O 1 ? ? +10023 ATOM C CB A PHE C 3 196 ? 46.703 -36.651 -55.316 0.40 51.30 ? 218 PHE C CB 1 ? ? +10024 ATOM C CB B PHE C 3 196 ? 46.707 -36.678 -55.291 0.60 51.39 ? 218 PHE C CB 1 ? ? +10025 ATOM C CG A PHE C 3 196 ? 46.380 -36.895 -53.861 0.40 51.05 ? 218 PHE C CG 1 ? ? +10026 ATOM C CG B PHE C 3 196 ? 46.377 -36.991 -53.856 0.60 51.19 ? 218 PHE C CG 1 ? ? +10027 ATOM C CD1 A PHE C 3 196 ? 45.070 -37.072 -53.442 0.40 50.51 ? 218 PHE C CD1 1 ? ? +10028 ATOM C CD1 B PHE C 3 196 ? 45.057 -37.121 -53.442 0.60 50.70 ? 218 PHE C CD1 1 ? ? +10029 ATOM C CD2 A PHE C 3 196 ? 47.385 -36.965 -52.914 0.40 51.46 ? 218 PHE C CD2 1 ? ? +10030 ATOM C CD2 B PHE C 3 196 ? 47.380 -37.196 -52.927 0.60 51.67 ? 218 PHE C CD2 1 ? ? +10031 ATOM C CE1 A PHE C 3 196 ? 44.775 -37.293 -52.103 0.40 50.25 ? 218 PHE C CE1 1 ? ? +10032 ATOM C CE1 B PHE C 3 196 ? 44.752 -37.410 -52.116 0.60 50.49 ? 218 PHE C CE1 1 ? ? +10033 ATOM C CE2 A PHE C 3 196 ? 47.089 -37.195 -51.581 0.40 51.24 ? 218 PHE C CE2 1 ? ? +10034 ATOM C CE2 B PHE C 3 196 ? 47.075 -37.499 -51.608 0.60 51.49 ? 218 PHE C CE2 1 ? ? +10035 ATOM C CZ A PHE C 3 196 ? 45.783 -37.358 -51.182 0.40 50.61 ? 218 PHE C CZ 1 ? ? +10036 ATOM C CZ B PHE C 3 196 ? 45.758 -37.605 -51.208 0.60 50.89 ? 218 PHE C CZ 1 ? ? +10037 ATOM N N A GLY C 3 197 ? 45.468 -36.726 -57.957 0.40 51.07 ? 219 GLY C N 1 ? ? +10038 ATOM N N B GLY C 3 197 ? 45.429 -36.789 -57.969 0.60 51.12 ? 219 GLY C N 1 ? ? +10039 ATOM C CA A GLY C 3 197 ? 45.109 -36.397 -59.324 0.40 51.11 ? 219 GLY C CA 1 ? ? +10040 ATOM C CA B GLY C 3 197 ? 45.090 -36.438 -59.336 0.60 51.16 ? 219 GLY C CA 1 ? ? +10041 ATOM C C A GLY C 3 197 ? 46.261 -35.770 -60.100 0.40 51.65 ? 219 GLY C C 1 ? ? +10042 ATOM C C B GLY C 3 197 ? 46.244 -35.792 -60.094 0.60 51.69 ? 219 GLY C C 1 ? ? +10043 ATOM O O A GLY C 3 197 ? 46.994 -34.942 -59.566 0.40 51.85 ? 219 GLY C O 1 ? ? +10044 ATOM O O B GLY C 3 197 ? 46.976 -34.979 -59.536 0.60 51.87 ? 219 GLY C O 1 ? ? +10045 ATOM N N A GLY C 3 198 ? 46.396 -36.174 -61.367 0.40 51.96 ? 220 GLY C N 1 ? ? +10046 ATOM N N B GLY C 3 198 ? 46.387 -36.172 -61.367 0.60 51.97 ? 220 GLY C N 1 ? ? +10047 ATOM C CA A GLY C 3 198 ? 47.409 -35.627 -62.253 0.40 52.56 ? 220 GLY C CA 1 ? ? +10048 ATOM C CA B GLY C 3 198 ? 47.406 -35.615 -62.241 0.60 52.57 ? 220 GLY C CA 1 ? ? +10049 ATOM C C A GLY C 3 198 ? 48.798 -36.225 -62.044 0.40 53.14 ? 220 GLY C C 1 ? ? +10050 ATOM C C B GLY C 3 198 ? 48.794 -36.218 -62.036 0.60 53.14 ? 220 GLY C C 1 ? ? +10051 ATOM O O A GLY C 3 198 ? 49.723 -35.888 -62.773 0.40 53.72 ? 220 GLY C O 1 ? ? +10052 ATOM O O B GLY C 3 198 ? 49.714 -35.879 -62.767 0.60 53.72 ? 220 GLY C O 1 ? ? +10053 ATOM N N . GLU C 3 199 ? 48.916 -37.111 -61.049 1.00 53.04 ? 221 GLU C N 1 ? ? +10054 ATOM C CA . GLU C 3 199 ? 50.164 -37.773 -60.711 1.00 53.64 ? 221 GLU C CA 1 ? ? +10055 ATOM C CB . GLU C 3 199 ? 50.590 -37.326 -59.312 1.00 53.73 ? 221 GLU C CB 1 ? ? +10056 ATOM C CG . GLU C 3 199 ? 50.892 -35.842 -59.212 1.00 53.99 ? 221 GLU C CG 1 ? ? +10057 ATOM C CD . GLU C 3 199 ? 52.226 -35.462 -59.830 1.00 54.95 ? 221 GLU C CD 1 ? ? +10058 ATOM O OE1 . GLU C 3 199 ? 53.179 -36.260 -59.706 1.00 55.58 ? 221 GLU C OE1 1 ? ? +10059 ATOM O OE2 . GLU C 3 199 ? 52.331 -34.360 -60.414 1.00 55.36 ? 221 GLU C OE2 1 ? ? +10060 ATOM C C . GLU C 3 199 ? 49.988 -39.289 -60.773 1.00 53.53 ? 221 GLU C C 1 ? ? +10061 ATOM O O . GLU C 3 199 ? 50.545 -39.936 -61.653 1.00 54.03 ? 221 GLU C O 1 ? ? +10062 ATOM N N . GLY C 3 200 ? 49.226 -39.852 -59.824 1.00 52.94 ? 222 GLY C N 1 ? ? +10063 ATOM C CA . GLY C 3 200 ? 48.703 -41.207 -59.928 1.00 52.73 ? 222 GLY C CA 1 ? ? +10064 ATOM C C . GLY C 3 200 ? 49.629 -42.340 -59.489 1.00 53.08 ? 222 GLY C C 1 ? ? +10065 ATOM O O . GLY C 3 200 ? 49.305 -43.512 -59.699 1.00 53.01 ? 222 GLY C O 1 ? ? +10066 ATOM N N . TRP C 3 201 ? 50.768 -41.978 -58.872 1.00 53.39 ? 223 TRP C N 1 ? ? +10067 ATOM C CA . TRP C 3 201 ? 51.746 -42.944 -58.389 1.00 53.80 ? 223 TRP C CA 1 ? ? +10068 ATOM C CB . TRP C 3 201 ? 51.186 -43.612 -57.102 1.00 53.50 ? 223 TRP C CB 1 ? ? +10069 ATOM C CG . TRP C 3 201 ? 52.190 -44.399 -56.333 1.00 54.08 ? 223 TRP C CG 1 ? ? +10070 ATOM C CD1 . TRP C 3 201 ? 53.458 -44.027 -56.027 1.00 54.63 ? 223 TRP C CD1 1 ? ? +10071 ATOM N NE1 . TRP C 3 201 ? 54.084 -45.018 -55.324 1.00 55.00 ? 223 TRP C NE1 1 ? ? +10072 ATOM C CE2 . TRP C 3 201 ? 53.225 -46.061 -55.159 1.00 54.74 ? 223 TRP C CE2 1 ? ? +10073 ATOM C CZ2 . TRP C 3 201 ? 53.399 -47.277 -54.509 1.00 54.99 ? 223 TRP C CZ2 1 ? ? +10074 ATOM C CH2 . TRP C 3 201 ? 52.319 -48.139 -54.483 1.00 54.64 ? 223 TRP C CH2 1 ? ? +10075 ATOM C CZ3 . TRP C 3 201 ? 51.102 -47.809 -55.094 1.00 54.03 ? 223 TRP C CZ3 1 ? ? +10076 ATOM C CE3 . TRP C 3 201 ? 50.935 -46.598 -55.736 1.00 53.84 ? 223 TRP C CE3 1 ? ? +10077 ATOM C CD2 . TRP C 3 201 ? 52.008 -45.698 -55.772 1.00 54.20 ? 223 TRP C CD2 1 ? ? +10078 ATOM C C . TRP C 3 201 ? 52.139 -43.899 -59.522 1.00 54.08 ? 223 TRP C C 1 ? ? +10079 ATOM O O . TRP C 3 201 ? 52.359 -43.449 -60.637 1.00 54.29 ? 223 TRP C O 1 ? ? +10080 ATOM N N . ILE C 3 202 ? 52.226 -45.208 -59.263 1.00 54.15 ? 224 ILE C N 1 ? ? +10081 ATOM C CA . ILE C 3 202 ? 52.612 -46.163 -60.291 1.00 54.63 ? 224 ILE C CA 1 ? ? +10082 ATOM C CB . ILE C 3 202 ? 53.147 -47.473 -59.658 1.00 55.03 ? 224 ILE C CB 1 ? ? +10083 ATOM C CG1 . ILE C 3 202 ? 52.066 -48.321 -58.999 1.00 54.51 ? 224 ILE C CG1 1 ? ? +10084 ATOM C CG2 . ILE C 3 202 ? 54.252 -47.192 -58.654 1.00 55.44 ? 224 ILE C CG2 1 ? ? +10085 ATOM C CD1 . ILE C 3 202 ? 52.601 -49.732 -58.654 1.00 54.98 ? 224 ILE C CD1 1 ? ? +10086 ATOM C C . ILE C 3 202 ? 51.487 -46.475 -61.286 1.00 54.25 ? 224 ILE C C 1 ? ? +10087 ATOM O O . ILE C 3 202 ? 51.758 -47.014 -62.362 1.00 54.65 ? 224 ILE C O 1 ? ? +10088 ATOM N N . VAL C 3 203 ? 50.233 -46.136 -60.932 1.00 53.44 ? 225 VAL C N 1 ? ? +10089 ATOM C CA . VAL C 3 203 ? 49.107 -46.358 -61.820 1.00 53.06 ? 225 VAL C CA 1 ? ? +10090 ATOM C CB . VAL C 3 203 ? 47.747 -46.071 -61.119 1.00 52.33 ? 225 VAL C CB 1 ? ? +10091 ATOM C CG1 . VAL C 3 203 ? 46.550 -46.314 -62.050 1.00 52.00 ? 225 VAL C CG1 1 ? ? +10092 ATOM C CG2 . VAL C 3 203 ? 47.610 -46.892 -59.848 1.00 52.20 ? 225 VAL C CG2 1 ? ? +10093 ATOM C C . VAL C 3 203 ? 49.257 -45.529 -63.092 1.00 53.20 ? 225 VAL C C 1 ? ? +10094 ATOM O O . VAL C 3 203 ? 48.673 -45.869 -64.116 1.00 53.19 ? 225 VAL C O 1 ? ? +10095 ATOM N N . SER C 3 204 ? 50.053 -44.454 -63.030 1.00 53.36 ? 226 SER C N 1 ? ? +10096 ATOM C CA . SER C 3 204 ? 50.263 -43.578 -64.173 1.00 53.57 ? 226 SER C CA 1 ? ? +10097 ATOM C CB . SER C 3 204 ? 50.810 -42.233 -63.692 1.00 53.61 ? 226 SER C CB 1 ? ? +10098 ATOM O OG . SER C 3 204 ? 52.091 -42.362 -63.097 1.00 54.16 ? 226 SER C OG 1 ? ? +10099 ATOM C C . SER C 3 204 ? 51.181 -44.092 -65.286 1.00 54.25 ? 226 SER C C 1 ? ? +10100 ATOM O O . SER C 3 204 ? 51.311 -43.420 -66.305 1.00 54.51 ? 226 SER C O 1 ? ? +10101 ATOM N N . VAL C 3 205 ? 51.802 -45.267 -65.114 1.00 54.57 ? 227 VAL C N 1 ? ? +10102 ATOM C CA . VAL C 3 205 ? 52.698 -45.791 -66.133 1.00 55.28 ? 227 VAL C CA 1 ? ? +10103 ATOM C CB . VAL C 3 205 ? 53.373 -47.122 -65.723 1.00 55.69 ? 227 VAL C CB 1 ? ? +10104 ATOM C CG1 . VAL C 3 205 ? 52.361 -48.241 -65.508 1.00 55.29 ? 227 VAL C CG1 1 ? ? +10105 ATOM C CG2 . VAL C 3 205 ? 54.441 -47.529 -66.752 1.00 56.54 ? 227 VAL C CG2 1 ? ? +10106 ATOM C C . VAL C 3 205 ? 51.976 -45.924 -67.475 1.00 55.23 ? 227 VAL C C 1 ? ? +10107 ATOM O O . VAL C 3 205 ? 50.972 -46.620 -67.582 1.00 54.87 ? 227 VAL C O 1 ? ? +10108 ATOM N N . ASN C 3 206 ? 52.534 -45.270 -68.500 1.00 55.65 ? 228 ASN C N 1 ? ? +10109 ATOM C CA . ASN C 3 206 ? 51.854 -45.033 -69.760 1.00 55.59 ? 228 ASN C CA 1 ? ? +10110 ATOM C CB . ASN C 3 206 ? 51.578 -43.555 -69.850 1.00 55.32 ? 228 ASN C CB 1 ? ? +10111 ATOM C CG . ASN C 3 206 ? 52.793 -42.671 -69.919 1.00 55.86 ? 228 ASN C CG 1 ? ? +10112 ATOM O OD1 . ASN C 3 206 ? 53.942 -43.099 -69.949 1.00 56.55 ? 228 ASN C OD1 1 ? ? +10113 ATOM N ND2 . ASN C 3 206 ? 52.574 -41.386 -69.973 1.00 55.66 ? 228 ASN C ND2 1 ? ? +10114 ATOM C C . ASN C 3 206 ? 52.588 -45.490 -71.020 1.00 56.37 ? 228 ASN C C 1 ? ? +10115 ATOM O O . ASN C 3 206 ? 52.281 -45.043 -72.122 1.00 56.45 ? 228 ASN C O 1 ? ? +10116 ATOM N N . ASN C 3 207 ? 53.562 -46.387 -70.857 1.00 56.98 ? 229 ASN C N 1 ? ? +10117 ATOM C CA . ASN C 3 207 ? 54.324 -46.890 -71.988 1.00 57.81 ? 229 ASN C CA 1 ? ? +10118 ATOM C CB . ASN C 3 207 ? 55.360 -45.869 -72.471 1.00 58.38 ? 229 ASN C CB 1 ? ? +10119 ATOM C CG . ASN C 3 207 ? 56.485 -45.685 -71.512 1.00 58.72 ? 229 ASN C CG 1 ? ? +10120 ATOM O OD1 . ASN C 3 207 ? 57.507 -46.374 -71.556 1.00 59.38 ? 229 ASN C OD1 1 ? ? +10121 ATOM N ND2 . ASN C 3 207 ? 56.323 -44.733 -70.636 1.00 58.31 ? 229 ASN C ND2 1 ? ? +10122 ATOM C C . ASN C 3 207 ? 54.980 -48.209 -71.603 1.00 58.24 ? 229 ASN C C 1 ? ? +10123 ATOM O O . ASN C 3 207 ? 55.245 -48.458 -70.432 1.00 58.14 ? 229 ASN C O 1 ? ? +10124 ATOM N N . LEU C 3 208 ? 55.220 -49.055 -72.602 1.00 58.83 ? 230 LEU C N 1 ? ? +10125 ATOM C CA . LEU C 3 208 ? 55.662 -50.412 -72.345 1.00 59.27 ? 230 LEU C CA 1 ? ? +10126 ATOM C CB . LEU C 3 208 ? 55.289 -51.304 -73.531 1.00 59.57 ? 230 LEU C CB 1 ? ? +10127 ATOM C CG . LEU C 3 208 ? 53.760 -51.469 -73.785 1.00 58.91 ? 230 LEU C CG 1 ? ? +10128 ATOM C CD1 . LEU C 3 208 ? 53.484 -52.549 -74.797 1.00 59.27 ? 230 LEU C CD1 1 ? ? +10129 ATOM C CD2 . LEU C 3 208 ? 53.031 -51.784 -72.537 1.00 58.22 ? 230 LEU C CD2 1 ? ? +10130 ATOM C C . LEU C 3 208 ? 57.156 -50.491 -72.039 1.00 60.08 ? 230 LEU C C 1 ? ? +10131 ATOM O O . LEU C 3 208 ? 57.584 -51.414 -71.356 1.00 60.34 ? 230 LEU C O 1 ? ? +10132 ATOM N N . GLU C 3 209 ? 57.948 -49.520 -72.511 1.00 60.55 ? 231 GLU C N 1 ? ? +10133 ATOM C CA . GLU C 3 209 ? 59.368 -49.485 -72.188 1.00 61.33 ? 231 GLU C CA 1 ? ? +10134 ATOM C CB . GLU C 3 209 ? 60.086 -48.319 -72.892 1.00 61.79 ? 231 GLU C CB 1 ? ? +10135 ATOM C CG . GLU C 3 209 ? 60.369 -48.560 -74.355 1.00 62.42 ? 231 GLU C CG 1 ? ? +10136 ATOM C CD . GLU C 3 209 ? 59.193 -48.431 -75.296 1.00 62.01 ? 231 GLU C CD 1 ? ? +10137 ATOM O OE1 . GLU C 3 209 ? 58.156 -47.822 -74.917 1.00 61.20 ? 231 GLU C OE1 1 ? ? +10138 ATOM O OE2 . GLU C 3 209 ? 59.318 -48.978 -76.417 1.00 62.48 ? 231 GLU C OE2 1 ? ? +10139 ATOM C C . GLU C 3 209 ? 59.577 -49.379 -70.679 1.00 61.08 ? 231 GLU C C 1 ? ? +10140 ATOM O O . GLU C 3 209 ? 60.447 -50.045 -70.123 1.00 61.49 ? 231 GLU C O 1 ? ? +10141 ATOM N N . ASP C 3 210 ? 58.768 -48.529 -70.032 1.00 60.38 ? 232 ASP C N 1 ? ? +10142 ATOM C CA . ASP C 3 210 ? 58.792 -48.375 -68.585 1.00 60.06 ? 232 ASP C CA 1 ? ? +10143 ATOM C CB . ASP C 3 210 ? 57.993 -47.121 -68.145 1.00 59.31 ? 232 ASP C CB 1 ? ? +10144 ATOM C CG . ASP C 3 210 ? 58.697 -45.802 -68.435 1.00 59.66 ? 232 ASP C CG 1 ? ? +10145 ATOM O OD1 . ASP C 3 210 ? 59.862 -45.838 -68.967 1.00 60.52 ? 232 ASP C OD1 1 ? ? +10146 ATOM O OD2 . ASP C 3 210 ? 58.123 -44.739 -68.112 1.00 59.10 ? 232 ASP C OD2 1 ? ? +10147 ATOM C C . ASP C 3 210 ? 58.263 -49.622 -67.879 1.00 59.78 ? 232 ASP C C 1 ? ? +10148 ATOM O O . ASP C 3 210 ? 58.802 -50.022 -66.849 1.00 59.89 ? 232 ASP C O 1 ? ? +10149 ATOM N N . VAL C 3 211 ? 57.206 -50.232 -68.434 1.00 59.44 ? 233 VAL C N 1 ? ? +10150 ATOM C CA . VAL C 3 211 ? 56.692 -51.484 -67.902 1.00 59.24 ? 233 VAL C CA 1 ? ? +10151 ATOM C CB . VAL C 3 211 ? 55.444 -51.974 -68.653 1.00 58.78 ? 233 VAL C CB 1 ? ? +10152 ATOM C CG1 . VAL C 3 211 ? 55.082 -53.392 -68.240 1.00 58.73 ? 233 VAL C CG1 1 ? ? +10153 ATOM C CG2 . VAL C 3 211 ? 54.263 -51.021 -68.449 1.00 57.95 ? 233 VAL C CG2 1 ? ? +10154 ATOM C C . VAL C 3 211 ? 57.792 -52.549 -67.931 1.00 60.09 ? 233 VAL C C 1 ? ? +10155 ATOM O O . VAL C 3 211 ? 58.127 -53.125 -66.904 1.00 60.20 ? 233 VAL C O 1 ? ? +10156 ATOM N N . VAL C 3 212 ? 58.340 -52.816 -69.118 1.00 60.76 ? 234 VAL C N 1 ? ? +10157 ATOM C CA . VAL C 3 212 ? 59.322 -53.871 -69.283 1.00 61.61 ? 234 VAL C CA 1 ? ? +10158 ATOM C CB . VAL C 3 212 ? 59.685 -54.058 -70.769 1.00 62.27 ? 234 VAL C CB 1 ? ? +10159 ATOM C CG1 . VAL C 3 212 ? 60.839 -55.046 -70.948 1.00 63.18 ? 234 VAL C CG1 1 ? ? +10160 ATOM C CG2 . VAL C 3 212 ? 58.455 -54.499 -71.567 1.00 61.86 ? 234 VAL C CG2 1 ? ? +10161 ATOM C C . VAL C 3 212 ? 60.557 -53.584 -68.434 1.00 62.11 ? 234 VAL C C 1 ? ? +10162 ATOM O O . VAL C 3 212 ? 61.099 -54.487 -67.802 1.00 62.51 ? 234 VAL C O 1 ? ? +10163 ATOM N N . GLY C 3 213 ? 60.993 -52.323 -68.431 1.00 62.14 ? 235 GLY C N 1 ? ? +10164 ATOM C CA . GLY C 3 213 ? 62.131 -51.915 -67.629 1.00 62.60 ? 235 GLY C CA 1 ? ? +10165 ATOM C C . GLY C 3 213 ? 61.913 -52.130 -66.133 1.00 62.13 ? 235 GLY C C 1 ? ? +10166 ATOM O O . GLY C 3 213 ? 62.823 -52.533 -65.411 1.00 62.62 ? 235 GLY C O 1 ? ? +10167 ATOM N N . GLY C 3 214 ? 60.685 -51.858 -65.691 1.00 61.20 ? 236 GLY C N 1 ? ? +10168 ATOM C CA . GLY C 3 214 ? 60.287 -52.077 -64.314 1.00 60.68 ? 236 GLY C CA 1 ? ? +10169 ATOM C C . GLY C 3 214 ? 60.374 -53.537 -63.889 1.00 60.89 ? 236 GLY C C 1 ? ? +10170 ATOM O O . GLY C 3 214 ? 60.683 -53.826 -62.742 1.00 60.89 ? 236 GLY C O 1 ? ? +10171 ATOM N N . HIS C 3 215 ? 60.111 -54.452 -64.821 1.00 61.12 ? 237 HIS C N 1 ? ? +10172 ATOM C CA . HIS C 3 215 ? 60.182 -55.869 -64.518 1.00 61.52 ? 237 HIS C CA 1 ? ? +10173 ATOM C CB . HIS C 3 215 ? 59.259 -56.622 -65.465 1.00 61.29 ? 237 HIS C CB 1 ? ? +10174 ATOM C CG . HIS C 3 215 ? 57.816 -56.371 -65.159 1.00 60.36 ? 237 HIS C CG 1 ? ? +10175 ATOM N ND1 . HIS C 3 215 ? 57.128 -55.346 -65.765 1.00 59.87 ? 237 HIS C ND1 1 ? ? +10176 ATOM C CE1 . HIS C 3 215 ? 55.910 -55.381 -65.262 1.00 59.14 ? 237 HIS C CE1 1 ? ? +10177 ATOM N NE2 . HIS C 3 215 ? 55.789 -56.358 -64.360 1.00 59.10 ? 237 HIS C NE2 1 ? ? +10178 ATOM C CD2 . HIS C 3 215 ? 56.996 -56.980 -64.271 1.00 59.86 ? 237 HIS C CD2 1 ? ? +10179 ATOM C C . HIS C 3 215 ? 61.612 -56.417 -64.542 1.00 62.70 ? 237 HIS C C 1 ? ? +10180 ATOM O O . HIS C 3 215 ? 61.914 -57.385 -63.849 1.00 62.97 ? 237 HIS C O 1 ? ? +10181 ATOM N N . ILE C 3 216 ? 62.499 -55.789 -65.321 1.00 63.46 ? 238 ILE C N 1 ? ? +10182 ATOM C CA . ILE C 3 216 ? 63.910 -56.122 -65.246 1.00 64.62 ? 238 ILE C CA 1 ? ? +10183 ATOM C CB . ILE C 3 216 ? 64.727 -55.386 -66.329 1.00 65.23 ? 238 ILE C CB 1 ? ? +10184 ATOM C CG1 . ILE C 3 216 ? 64.404 -55.958 -67.727 1.00 65.40 ? 238 ILE C CG1 1 ? ? +10185 ATOM C CG2 . ILE C 3 216 ? 66.238 -55.458 -66.045 1.00 66.23 ? 238 ILE C CG2 1 ? ? +10186 ATOM C CD1 . ILE C 3 216 ? 64.689 -55.045 -68.868 1.00 65.67 ? 238 ILE C CD1 1 ? ? +10187 ATOM C C . ILE C 3 216 ? 64.383 -55.840 -63.821 1.00 64.85 ? 238 ILE C C 1 ? ? +10188 ATOM O O . ILE C 3 216 ? 64.994 -56.705 -63.194 1.00 65.29 ? 238 ILE C O 1 ? ? +10189 ATOM N N . TRP C 3 217 ? 64.050 -54.648 -63.304 1.00 64.61 ? 239 TRP C N 1 ? ? +10190 ATOM C CA . TRP C 3 217 ? 64.472 -54.246 -61.969 1.00 64.86 ? 239 TRP C CA 1 ? ? +10191 ATOM C CB . TRP C 3 217 ? 64.133 -52.774 -61.675 1.00 64.55 ? 239 TRP C CB 1 ? ? +10192 ATOM C CG . TRP C 3 217 ? 65.188 -51.825 -62.154 1.00 65.53 ? 239 TRP C CG 1 ? ? +10193 ATOM C CD1 . TRP C 3 217 ? 65.157 -51.079 -63.287 1.00 65.76 ? 239 TRP C CD1 1 ? ? +10194 ATOM N NE1 . TRP C 3 217 ? 66.314 -50.345 -63.404 1.00 66.56 ? 239 TRP C NE1 1 ? ? +10195 ATOM C CE2 . TRP C 3 217 ? 67.116 -50.599 -62.328 1.00 67.01 ? 239 TRP C CE2 1 ? ? +10196 ATOM C CZ2 . TRP C 3 217 ? 68.378 -50.094 -62.002 1.00 67.86 ? 239 TRP C CZ2 1 ? ? +10197 ATOM C CH2 . TRP C 3 217 ? 68.958 -50.544 -60.845 1.00 68.20 ? 239 TRP C CH2 1 ? ? +10198 ATOM C CZ3 . TRP C 3 217 ? 68.318 -51.474 -60.019 1.00 67.80 ? 239 TRP C CZ3 1 ? ? +10199 ATOM C CE3 . TRP C 3 217 ? 67.060 -51.971 -60.336 1.00 67.01 ? 239 TRP C CE3 1 ? ? +10200 ATOM C CD2 . TRP C 3 217 ? 66.438 -51.530 -61.514 1.00 66.53 ? 239 TRP C CD2 1 ? ? +10201 ATOM C C . TRP C 3 217 ? 63.902 -55.152 -60.885 1.00 64.54 ? 239 TRP C C 1 ? ? +10202 ATOM O O . TRP C 3 217 ? 64.649 -55.633 -60.036 1.00 65.01 ? 239 TRP C O 1 ? ? +10203 ATOM N N . ILE C 3 218 ? 62.585 -55.388 -60.937 1.00 63.83 ? 240 ILE C N 1 ? ? +10204 ATOM C CA . ILE C 3 218 ? 61.912 -56.254 -59.983 1.00 63.53 ? 240 ILE C CA 1 ? ? +10205 ATOM C CB . ILE C 3 218 ? 60.385 -56.242 -60.232 1.00 62.78 ? 240 ILE C CB 1 ? ? +10206 ATOM C CG1 . ILE C 3 218 ? 59.749 -55.007 -59.602 1.00 62.09 ? 240 ILE C CG1 1 ? ? +10207 ATOM C CG2 . ILE C 3 218 ? 59.680 -57.512 -59.726 1.00 62.65 ? 240 ILE C CG2 1 ? ? +10208 ATOM C CD1 . ILE C 3 218 ? 59.957 -54.917 -58.076 1.00 61.99 ? 240 ILE C CD1 1 ? ? +10209 ATOM C C . ILE C 3 218 ? 62.457 -57.676 -60.016 1.00 64.22 ? 240 ILE C C 1 ? ? +10210 ATOM O O . ILE C 3 218 ? 62.618 -58.293 -58.969 1.00 64.32 ? 240 ILE C O 1 ? ? +10211 ATOM N N . GLY C 3 219 ? 62.713 -58.189 -61.221 1.00 64.77 ? 241 GLY C N 1 ? ? +10212 ATOM C CA . GLY C 3 219 ? 63.351 -59.482 -61.382 1.00 65.70 ? 241 GLY C CA 1 ? ? +10213 ATOM C C . GLY C 3 219 ? 64.690 -59.618 -60.656 1.00 66.69 ? 241 GLY C C 1 ? ? +10214 ATOM O O . GLY C 3 219 ? 64.898 -60.593 -59.937 1.00 67.01 ? 241 GLY C O 1 ? ? +10215 ATOM N N . LEU C 3 220 ? 65.594 -58.649 -60.863 1.00 67.29 ? 242 LEU C N 1 ? ? +10216 ATOM C CA . LEU C 3 220 ? 66.914 -58.681 -60.244 1.00 68.29 ? 242 LEU C CA 1 ? ? +10217 ATOM C CB . LEU C 3 220 ? 67.818 -57.540 -60.752 1.00 68.92 ? 242 LEU C CB 1 ? ? +10218 ATOM C CG . LEU C 3 220 ? 68.142 -57.459 -62.230 1.00 69.56 ? 242 LEU C CG 1 ? ? +10219 ATOM C CD1 . LEU C 3 220 ? 69.132 -56.315 -62.472 1.00 70.13 ? 242 LEU C CD1 1 ? ? +10220 ATOM C CD2 . LEU C 3 220 ? 68.702 -58.780 -62.771 1.00 70.39 ? 242 LEU C CD2 1 ? ? +10221 ATOM C C . LEU C 3 220 ? 66.802 -58.529 -58.725 1.00 67.89 ? 242 LEU C C 1 ? ? +10222 ATOM O O . LEU C 3 220 ? 67.474 -59.213 -57.960 1.00 68.27 ? 242 LEU C O 1 ? ? +10223 ATOM N N . ILE C 3 221 ? 65.954 -57.592 -58.291 1.00 66.98 ? 243 ILE C N 1 ? ? +10224 ATOM C CA . ILE C 3 221 ? 65.808 -57.317 -56.874 1.00 66.63 ? 243 ILE C CA 1 ? ? +10225 ATOM C CB . ILE C 3 221 ? 64.951 -56.055 -56.696 1.00 66.02 ? 243 ILE C CB 1 ? ? +10226 ATOM C CG1 . ILE C 3 221 ? 65.739 -54.810 -57.207 1.00 66.44 ? 243 ILE C CG1 1 ? ? +10227 ATOM C CG2 . ILE C 3 221 ? 64.476 -55.883 -55.250 1.00 65.58 ? 243 ILE C CG2 1 ? ? +10228 ATOM C CD1 . ILE C 3 221 ? 64.869 -53.510 -57.222 1.00 65.71 ? 243 ILE C CD1 1 ? ? +10229 ATOM C C . ILE C 3 221 ? 65.265 -58.540 -56.137 1.00 66.18 ? 243 ILE C C 1 ? ? +10230 ATOM O O . ILE C 3 221 ? 65.732 -58.848 -55.042 1.00 66.42 ? 243 ILE C O 1 ? ? +10231 ATOM N N . CYS C 3 222 ? 64.317 -59.253 -56.763 1.00 65.45 ? 244 CYS C N 1 ? ? +10232 ATOM C CA . CYS C 3 222 ? 63.776 -60.473 -56.185 1.00 65.15 ? 244 CYS C CA 1 ? ? +10233 ATOM C CB . CYS C 3 222 ? 62.525 -60.919 -56.938 1.00 64.46 ? 244 CYS C CB 1 ? ? +10234 ATOM S SG . CYS C 3 222 ? 61.021 -59.975 -56.544 1.00 62.98 ? 244 CYS C SG 1 ? ? +10235 ATOM C C . CYS C 3 222 ? 64.805 -61.607 -56.091 1.00 66.04 ? 244 CYS C C 1 ? ? +10236 ATOM O O . CYS C 3 222 ? 64.892 -62.271 -55.062 1.00 66.30 ? 244 CYS C O 1 ? ? +10237 ATOM N N . ILE C 3 223 ? 65.583 -61.842 -57.154 1.00 66.56 ? 245 ILE C N 1 ? ? +10238 ATOM C CA . ILE C 3 223 ? 66.624 -62.865 -57.125 1.00 67.39 ? 245 ILE C CA 1 ? ? +10239 ATOM C CB . ILE C 3 223 ? 67.230 -63.125 -58.538 1.00 68.12 ? 245 ILE C CB 1 ? ? +10240 ATOM C CG1 . ILE C 3 223 ? 66.179 -63.753 -59.467 1.00 67.80 ? 245 ILE C CG1 1 ? ? +10241 ATOM C CG2 . ILE C 3 223 ? 68.488 -63.991 -58.491 1.00 69.23 ? 245 ILE C CG2 1 ? ? +10242 ATOM C CD1 . ILE C 3 223 ? 66.580 -63.754 -60.930 1.00 68.33 ? 245 ILE C CD1 1 ? ? +10243 ATOM C C . ILE C 3 223 ? 67.700 -62.503 -56.101 1.00 67.64 ? 245 ILE C C 1 ? ? +10244 ATOM O O . ILE C 3 223 ? 68.177 -63.368 -55.374 1.00 68.08 ? 245 ILE C O 1 ? ? +10245 ATOM N N . ALA C 3 224 ? 68.055 -61.217 -56.033 1.00 67.27 ? 246 ALA C N 1 ? ? +10246 ATOM C CA . ALA C 3 224 ? 69.039 -60.740 -55.076 1.00 67.59 ? 246 ALA C CA 1 ? ? +10247 ATOM C CB . ALA C 3 224 ? 69.357 -59.277 -55.331 1.00 67.48 ? 246 ALA C CB 1 ? ? +10248 ATOM C C . ALA C 3 224 ? 68.552 -60.921 -53.643 1.00 67.02 ? 246 ALA C C 1 ? ? +10249 ATOM O O . ALA C 3 224 ? 69.257 -61.469 -52.804 1.00 67.47 ? 246 ALA C O 1 ? ? +10250 ATOM N N . GLY C 3 225 ? 67.323 -60.455 -53.383 1.00 65.93 ? 247 GLY C N 1 ? ? +10251 ATOM C CA . GLY C 3 225 ? 66.686 -60.626 -52.085 1.00 65.37 ? 247 GLY C CA 1 ? ? +10252 ATOM C C . GLY C 3 225 ? 66.585 -62.093 -51.679 1.00 65.60 ? 247 GLY C C 1 ? ? +10253 ATOM O O . GLY C 3 225 ? 66.800 -62.445 -50.522 1.00 65.77 ? 247 GLY C O 1 ? ? +10254 ATOM N N . GLY C 3 226 ? 66.282 -62.938 -52.669 1.00 65.65 ? 248 GLY C N 1 ? ? +10255 ATOM C CA . GLY C 3 226 ? 66.220 -64.376 -52.483 1.00 65.99 ? 248 GLY C CA 1 ? ? +10256 ATOM C C . GLY C 3 226 ? 67.534 -65.008 -52.030 1.00 67.03 ? 248 GLY C C 1 ? ? +10257 ATOM O O . GLY C 3 226 ? 67.538 -65.816 -51.105 1.00 67.19 ? 248 GLY C O 1 ? ? +10258 ATOM N N . ILE C 3 227 ? 68.633 -64.651 -52.707 1.00 67.75 ? 249 ILE C N 1 ? ? +10259 ATOM C CA . ILE C 3 227 ? 69.966 -65.091 -52.319 1.00 68.85 ? 249 ILE C CA 1 ? ? +10260 ATOM C CB . ILE C 3 227 ? 71.042 -64.592 -53.301 1.00 69.54 ? 249 ILE C CB 1 ? ? +10261 ATOM C CG1 . ILE C 3 227 ? 70.825 -65.203 -54.696 1.00 69.67 ? 249 ILE C CG1 1 ? ? +10262 ATOM C CG2 . ILE C 3 227 ? 72.465 -64.878 -52.763 1.00 70.69 ? 249 ILE C CG2 1 ? ? +10263 ATOM C CD1 . ILE C 3 227 ? 71.199 -64.275 -55.815 1.00 69.78 ? 249 ILE C CD1 1 ? ? +10264 ATOM C C . ILE C 3 227 ? 70.251 -64.620 -50.898 1.00 68.87 ? 249 ILE C C 1 ? ? +10265 ATOM O O . ILE C 3 227 ? 70.570 -65.424 -50.031 1.00 69.30 ? 249 ILE C O 1 ? ? +10266 ATOM N N . TRP C 3 228 ? 70.090 -63.313 -50.672 1.00 68.45 ? 250 TRP C N 1 ? ? +10267 ATOM C CA . TRP C 3 228 ? 70.252 -62.705 -49.361 1.00 68.46 ? 250 TRP C CA 1 ? ? +10268 ATOM C CB . TRP C 3 228 ? 69.724 -61.264 -49.417 1.00 67.70 ? 250 TRP C CB 1 ? ? +10269 ATOM C CG . TRP C 3 228 ? 69.619 -60.565 -48.096 1.00 67.45 ? 250 TRP C CG 1 ? ? +10270 ATOM C CD1 . TRP C 3 228 ? 68.490 -60.387 -47.346 1.00 66.59 ? 250 TRP C CD1 1 ? ? +10271 ATOM N NE1 . TRP C 3 228 ? 68.790 -59.673 -46.210 1.00 66.63 ? 250 TRP C NE1 1 ? ? +10272 ATOM C CE2 . TRP C 3 228 ? 70.128 -59.355 -46.221 1.00 67.51 ? 250 TRP C CE2 1 ? ? +10273 ATOM C CZ2 . TRP C 3 228 ? 70.897 -58.644 -45.303 1.00 67.91 ? 250 TRP C CZ2 1 ? ? +10274 ATOM C CH2 . TRP C 3 228 ? 72.241 -58.493 -45.579 1.00 68.89 ? 250 TRP C CH2 1 ? ? +10275 ATOM C CZ3 . TRP C 3 228 ? 72.813 -59.027 -46.734 1.00 69.47 ? 250 TRP C CZ3 1 ? ? +10276 ATOM C CE3 . TRP C 3 228 ? 72.054 -59.726 -47.647 1.00 69.09 ? 250 TRP C CE3 1 ? ? +10277 ATOM C CD2 . TRP C 3 228 ? 70.680 -59.900 -47.397 1.00 68.07 ? 250 TRP C CD2 1 ? ? +10278 ATOM C C . TRP C 3 228 ? 69.581 -63.469 -48.217 1.00 68.28 ? 250 TRP C C 1 ? ? +10279 ATOM O O . TRP C 3 228 ? 70.222 -63.756 -47.209 1.00 68.84 ? 250 TRP C O 1 ? ? +10280 ATOM N N . HIS C 3 229 ? 68.294 -63.804 -48.377 1.00 67.55 ? 251 HIS C N 1 ? ? +10281 ATOM C CA . HIS C 3 229 ? 67.541 -64.445 -47.308 1.00 67.27 ? 251 HIS C CA 1 ? ? +10282 ATOM C CB . HIS C 3 229 ? 66.042 -64.256 -47.541 1.00 66.26 ? 251 HIS C CB 1 ? ? +10283 ATOM C CG . HIS C 3 229 ? 65.562 -62.960 -46.974 1.00 65.57 ? 251 HIS C CG 1 ? ? +10284 ATOM N ND1 . HIS C 3 229 ? 65.879 -62.595 -45.685 1.00 65.75 ? 251 HIS C ND1 1 ? ? +10285 ATOM C CE1 . HIS C 3 229 ? 65.344 -61.402 -45.500 1.00 65.03 ? 251 HIS C CE1 1 ? ? +10286 ATOM N NE2 . HIS C 3 229 ? 64.729 -60.982 -46.603 1.00 64.50 ? 251 HIS C NE2 1 ? ? +10287 ATOM C CD2 . HIS C 3 229 ? 64.873 -61.963 -47.552 1.00 64.85 ? 251 HIS C CD2 1 ? ? +10288 ATOM C C . HIS C 3 229 ? 67.864 -65.922 -47.078 1.00 68.01 ? 251 HIS C C 1 ? ? +10289 ATOM O O . HIS C 3 229 ? 67.668 -66.430 -45.975 1.00 68.03 ? 251 HIS C O 1 ? ? +10290 ATOM N N . ILE C 3 230 ? 68.369 -66.605 -48.112 1.00 68.67 ? 252 ILE C N 1 ? ? +10291 ATOM C CA . ILE C 3 230 ? 68.928 -67.937 -47.938 1.00 69.58 ? 252 ILE C CA 1 ? ? +10292 ATOM C CB . ILE C 3 230 ? 69.194 -68.607 -49.312 1.00 69.98 ? 252 ILE C CB 1 ? ? +10293 ATOM C CG1 . ILE C 3 230 ? 67.841 -68.998 -49.971 1.00 69.15 ? 252 ILE C CG1 1 ? ? +10294 ATOM C CG2 . ILE C 3 230 ? 70.172 -69.812 -49.209 1.00 71.11 ? 252 ILE C CG2 1 ? ? +10295 ATOM C CD1 . ILE C 3 230 ? 67.942 -69.481 -51.423 1.00 69.42 ? 252 ILE C CD1 1 ? ? +10296 ATOM C C . ILE C 3 230 ? 70.178 -67.835 -47.063 1.00 70.57 ? 252 ILE C C 1 ? ? +10297 ATOM O O . ILE C 3 230 ? 70.294 -68.528 -46.054 1.00 70.84 ? 252 ILE C O 1 ? ? +10298 ATOM N N . LEU C 3 231 ? 71.089 -66.931 -47.434 1.00 71.11 ? 253 LEU C N 1 ? ? +10299 ATOM C CA . LEU C 3 231 ? 72.403 -66.870 -46.812 1.00 72.25 ? 253 LEU C CA 1 ? ? +10300 ATOM C CB . LEU C 3 231 ? 73.399 -66.099 -47.715 1.00 72.81 ? 253 LEU C CB 1 ? ? +10301 ATOM C CG . LEU C 3 231 ? 73.692 -66.678 -49.084 1.00 73.26 ? 253 LEU C CG 1 ? ? +10302 ATOM C CD1 . LEU C 3 231 ? 74.740 -65.845 -49.798 1.00 73.85 ? 253 LEU C CD1 1 ? ? +10303 ATOM C CD2 . LEU C 3 231 ? 74.162 -68.124 -49.002 1.00 74.11 ? 253 LEU C CD2 1 ? ? +10304 ATOM C C . LEU C 3 231 ? 72.385 -66.215 -45.432 1.00 72.11 ? 253 LEU C C 1 ? ? +10305 ATOM O O . LEU C 3 231 ? 73.336 -66.381 -44.672 1.00 72.94 ? 253 LEU C O 1 ? ? +10306 ATOM N N . THR C 3 232 ? 71.325 -65.461 -45.114 1.00 71.08 ? 254 THR C N 1 ? ? +10307 ATOM C CA . THR C 3 232 ? 71.287 -64.730 -43.859 1.00 70.94 ? 254 THR C CA 1 ? ? +10308 ATOM C CB . THR C 3 232 ? 71.107 -63.215 -44.107 1.00 70.31 ? 254 THR C CB 1 ? ? +10309 ATOM O OG1 . THR C 3 232 ? 69.922 -62.969 -44.869 1.00 69.34 ? 254 THR C OG1 1 ? ? +10310 ATOM C CG2 . THR C 3 232 ? 72.303 -62.594 -44.820 1.00 71.00 ? 254 THR C CG2 1 ? ? +10311 ATOM C C . THR C 3 232 ? 70.226 -65.233 -42.885 1.00 70.51 ? 254 THR C C 1 ? ? +10312 ATOM O O . THR C 3 232 ? 69.403 -66.091 -43.201 1.00 69.94 ? 254 THR C O 1 ? ? +10313 ATOM N N . THR C 3 233 ? 70.296 -64.686 -41.670 1.00 70.80 ? 255 THR C N 1 ? ? +10314 ATOM C CA . THR C 3 233 ? 69.290 -64.885 -40.645 1.00 70.53 ? 255 THR C CA 1 ? ? +10315 ATOM C CB . THR C 3 233 ? 69.854 -65.803 -39.560 1.00 71.54 ? 255 THR C CB 1 ? ? +10316 ATOM O OG1 . THR C 3 233 ? 68.750 -66.383 -38.865 1.00 71.28 ? 255 THR C OG1 1 ? ? +10317 ATOM C CG2 . THR C 3 233 ? 70.796 -65.073 -38.581 1.00 72.10 ? 255 THR C CG2 1 ? ? +10318 ATOM C C . THR C 3 233 ? 68.876 -63.504 -40.143 1.00 69.92 ? 255 THR C C 1 ? ? +10319 ATOM O O . THR C 3 233 ? 69.659 -62.566 -40.200 1.00 70.13 ? 255 THR C O 1 ? ? +10320 ATOM N N . PRO C 3 234 ? 67.633 -63.301 -39.656 1.00 69.34 ? 256 PRO C N 1 ? ? +10321 ATOM C CA . PRO C 3 234 ? 67.203 -61.966 -39.226 1.00 68.87 ? 256 PRO C CA 1 ? ? +10322 ATOM C CB . PRO C 3 234 ? 65.767 -62.184 -38.706 1.00 67.78 ? 256 PRO C CB 1 ? ? +10323 ATOM C CG . PRO C 3 234 ? 65.307 -63.423 -39.394 1.00 67.80 ? 256 PRO C CG 1 ? ? +10324 ATOM C CD . PRO C 3 234 ? 66.561 -64.300 -39.545 1.00 68.97 ? 256 PRO C CD 1 ? ? +10325 ATOM C C . PRO C 3 234 ? 68.124 -61.363 -38.164 1.00 69.72 ? 256 PRO C C 1 ? ? +10326 ATOM O O . PRO C 3 234 ? 68.541 -62.040 -37.226 1.00 70.24 ? 256 PRO C O 1 ? ? +10327 ATOM N N . PHE C 3 235 ? 68.419 -60.070 -38.343 1.00 69.92 ? 257 PHE C N 1 ? ? +10328 ATOM C CA . PHE C 3 235 ? 69.202 -59.287 -37.401 1.00 70.54 ? 257 PHE C CA 1 ? ? +10329 ATOM C CB . PHE C 3 235 ? 69.631 -57.952 -38.045 1.00 70.37 ? 257 PHE C CB 1 ? ? +10330 ATOM C CG . PHE C 3 235 ? 70.458 -58.093 -39.297 1.00 70.73 ? 257 PHE C CG 1 ? ? +10331 ATOM C CD1 . PHE C 3 235 ? 71.671 -58.742 -39.268 1.00 71.64 ? 257 PHE C CD1 1 ? ? +10332 ATOM C CD2 . PHE C 3 235 ? 70.017 -57.565 -40.503 1.00 70.08 ? 257 PHE C CD2 1 ? ? +10333 ATOM C CE1 . PHE C 3 235 ? 72.425 -58.872 -40.419 1.00 72.22 ? 257 PHE C CE1 1 ? ? +10334 ATOM C CE2 . PHE C 3 235 ? 70.778 -57.696 -41.648 1.00 70.63 ? 257 PHE C CE2 1 ? ? +10335 ATOM C CZ . PHE C 3 235 ? 71.978 -58.348 -41.600 1.00 71.65 ? 257 PHE C CZ 1 ? ? +10336 ATOM C C . PHE C 3 235 ? 68.393 -58.993 -36.142 1.00 70.29 ? 257 PHE C C 1 ? ? +10337 ATOM O O . PHE C 3 235 ? 67.171 -59.081 -36.161 1.00 69.59 ? 257 PHE C O 1 ? ? +10338 ATOM N N . GLY C 3 236 ? 69.091 -58.596 -35.075 1.00 71.12 ? 258 GLY C N 1 ? ? +10339 ATOM C CA . GLY C 3 236 ? 68.496 -58.388 -33.766 1.00 71.11 ? 258 GLY C CA 1 ? ? +10340 ATOM C C . GLY C 3 236 ? 67.343 -57.390 -33.777 1.00 70.62 ? 258 GLY C C 1 ? ? +10341 ATOM O O . GLY C 3 236 ? 66.320 -57.626 -33.135 1.00 70.66 ? 258 GLY C O 1 ? ? +10342 ATOM N N . TRP C 3 237 ? 67.495 -56.289 -34.525 1.00 70.70 ? 259 TRP C N 1 ? ? +10343 ATOM C CA . TRP C 3 237 ? 66.473 -55.255 -34.553 1.00 69.93 ? 259 TRP C CA 1 ? ? +10344 ATOM C CB . TRP C 3 237 ? 66.976 -54.004 -35.308 1.00 70.02 ? 259 TRP C CB 1 ? ? +10345 ATOM C CG . TRP C 3 237 ? 67.267 -54.177 -36.776 1.00 70.32 ? 259 TRP C CG 1 ? ? +10346 ATOM C CD1 . TRP C 3 237 ? 68.489 -54.355 -37.353 1.00 71.08 ? 259 TRP C CD1 1 ? ? +10347 ATOM N NE1 . TRP C 3 237 ? 68.359 -54.437 -38.721 1.00 70.95 ? 259 TRP C NE1 1 ? ? +10348 ATOM C CE2 . TRP C 3 237 ? 67.039 -54.289 -39.057 1.00 70.09 ? 259 TRP C CE2 1 ? ? +10349 ATOM C CZ2 . TRP C 3 237 ? 66.419 -54.293 -40.304 1.00 69.66 ? 259 TRP C CZ2 1 ? ? +10350 ATOM C CH2 . TRP C 3 237 ? 65.056 -54.117 -40.333 1.00 68.66 ? 259 TRP C CH2 1 ? ? +10351 ATOM C CZ3 . TRP C 3 237 ? 64.317 -53.939 -39.158 1.00 68.15 ? 259 TRP C CZ3 1 ? ? +10352 ATOM C CE3 . TRP C 3 237 ? 64.930 -53.934 -37.922 1.00 68.47 ? 259 TRP C CE3 1 ? ? +10353 ATOM C CD2 . TRP C 3 237 ? 66.318 -54.109 -37.857 1.00 69.59 ? 259 TRP C CD2 1 ? ? +10354 ATOM C C . TRP C 3 237 ? 65.154 -55.767 -35.132 1.00 69.46 ? 259 TRP C C 1 ? ? +10355 ATOM O O . TRP C 3 237 ? 64.079 -55.320 -34.721 1.00 68.74 ? 259 TRP C O 1 ? ? +10356 ATOM N N . ALA C 3 238 ? 65.265 -56.691 -36.095 1.00 70.11 ? 260 ALA C N 1 ? ? +10357 ATOM C CA . ALA C 3 238 ? 64.124 -57.355 -36.693 1.00 70.07 ? 260 ALA C CA 1 ? ? +10358 ATOM C CB . ALA C 3 238 ? 64.498 -57.993 -38.013 1.00 70.28 ? 260 ALA C CB 1 ? ? +10359 ATOM C C . ALA C 3 238 ? 63.566 -58.402 -35.736 1.00 71.08 ? 260 ALA C C 1 ? ? +10360 ATOM O O . ALA C 3 238 ? 62.342 -58.510 -35.566 1.00 70.80 ? 260 ALA C O 1 ? ? +10361 ATOM N N . ARG C 3 239 ? 64.468 -59.157 -35.101 1.00 72.64 ? 261 ARG C N 1 ? ? +10362 ATOM C CA . ARG C 3 239 ? 64.059 -60.173 -34.148 1.00 74.10 ? 261 ARG C CA 1 ? ? +10363 ATOM C CB . ARG C 3 239 ? 65.272 -60.895 -33.532 1.00 77.45 ? 261 ARG C CB 1 ? ? +10364 ATOM C CG . ARG C 3 239 ? 65.955 -61.843 -34.527 1.00 80.62 ? 261 ARG C CG 1 ? ? +10365 ATOM C CD . ARG C 3 239 ? 66.924 -62.822 -33.903 1.00 84.17 ? 261 ARG C CD 1 ? ? +10366 ATOM N NE . ARG C 3 239 ? 68.127 -62.168 -33.404 1.00 88.22 ? 261 ARG C NE 1 ? ? +10367 ATOM C CZ . ARG C 3 239 ? 68.401 -61.990 -32.115 1.00 92.12 ? 261 ARG C CZ 1 ? ? +10368 ATOM N NH1 . ARG C 3 239 ? 67.486 -62.209 -31.179 1.00 93.33 ? 261 ARG C NH1 1 ? ? +10369 ATOM N NH2 . ARG C 3 239 ? 69.615 -61.575 -31.758 1.00 93.07 ? 261 ARG C NH2 1 ? ? +10370 ATOM C C . ARG C 3 239 ? 63.174 -59.572 -33.058 1.00 72.89 ? 261 ARG C C 1 ? ? +10371 ATOM O O . ARG C 3 239 ? 62.162 -60.173 -32.695 1.00 72.47 ? 261 ARG C O 1 ? ? +10372 ATOM N N . ARG C 3 240 ? 63.534 -58.373 -32.573 1.00 72.13 ? 262 ARG C N 1 ? ? +10373 ATOM C CA . ARG C 3 240 ? 62.783 -57.720 -31.510 1.00 71.25 ? 262 ARG C CA 1 ? ? +10374 ATOM C CB . ARG C 3 240 ? 63.652 -56.645 -30.837 1.00 72.42 ? 262 ARG C CB 1 ? ? +10375 ATOM C CG . ARG C 3 240 ? 64.839 -57.231 -30.077 1.00 74.60 ? 262 ARG C CG 1 ? ? +10376 ATOM C CD . ARG C 3 240 ? 65.566 -56.190 -29.225 1.00 76.04 ? 262 ARG C CD 1 ? ? +10377 ATOM N NE . ARG C 3 240 ? 66.472 -55.341 -29.998 1.00 77.50 ? 262 ARG C NE 1 ? ? +10378 ATOM C CZ . ARG C 3 240 ? 67.700 -55.691 -30.376 1.00 78.89 ? 262 ARG C CZ 1 ? ? +10379 ATOM N NH1 . ARG C 3 240 ? 68.198 -56.886 -30.099 1.00 79.35 ? 262 ARG C NH1 1 ? ? +10380 ATOM N NH2 . ARG C 3 240 ? 68.450 -54.817 -31.042 1.00 79.87 ? 262 ARG C NH2 1 ? ? +10381 ATOM C C . ARG C 3 240 ? 61.459 -57.096 -31.961 1.00 68.76 ? 262 ARG C C 1 ? ? +10382 ATOM O O . ARG C 3 240 ? 60.587 -56.822 -31.134 1.00 67.61 ? 262 ARG C O 1 ? ? +10383 ATOM N N . ALA C 3 241 ? 61.319 -56.883 -33.276 1.00 67.36 ? 263 ALA C N 1 ? ? +10384 ATOM C CA . ALA C 3 241 ? 60.236 -56.086 -33.825 1.00 65.59 ? 263 ALA C CA 1 ? ? +10385 ATOM C CB . ALA C 3 241 ? 60.757 -55.289 -35.009 1.00 65.59 ? 263 ALA C CB 1 ? ? +10386 ATOM C C . ALA C 3 241 ? 59.020 -56.898 -34.262 1.00 64.29 ? 263 ALA C C 1 ? ? +10387 ATOM O O . ALA C 3 241 ? 57.944 -56.333 -34.415 1.00 63.72 ? 263 ALA C O 1 ? ? +10388 ATOM N N . PHE C 3 242 ? 59.210 -58.200 -34.502 1.00 64.09 ? 264 PHE C N 1 ? ? +10389 ATOM C CA . PHE C 3 242 ? 58.182 -59.061 -35.063 1.00 63.22 ? 264 PHE C CA 1 ? ? +10390 ATOM C CB . PHE C 3 242 ? 58.686 -59.709 -36.369 1.00 63.54 ? 264 PHE C CB 1 ? ? +10391 ATOM C CG . PHE C 3 242 ? 58.800 -58.752 -37.524 1.00 63.24 ? 264 PHE C CG 1 ? ? +10392 ATOM C CD1 . PHE C 3 242 ? 57.665 -58.290 -38.175 1.00 62.29 ? 264 PHE C CD1 1 ? ? +10393 ATOM C CD2 . PHE C 3 242 ? 60.042 -58.276 -37.936 1.00 63.70 ? 264 PHE C CD2 1 ? ? +10394 ATOM C CE1 . PHE C 3 242 ? 57.772 -57.392 -39.230 1.00 62.10 ? 264 PHE C CE1 1 ? ? +10395 ATOM C CE2 . PHE C 3 242 ? 60.144 -57.372 -38.984 1.00 63.42 ? 264 PHE C CE2 1 ? ? +10396 ATOM C CZ . PHE C 3 242 ? 59.019 -56.936 -39.629 1.00 62.67 ? 264 PHE C CZ 1 ? ? +10397 ATOM C C . PHE C 3 242 ? 57.741 -60.173 -34.114 1.00 63.05 ? 264 PHE C C 1 ? ? +10398 ATOM O O . PHE C 3 242 ? 58.461 -60.525 -33.186 1.00 63.71 ? 264 PHE C O 1 ? ? +10399 ATOM N N . ILE C 3 243 ? 56.546 -60.719 -34.374 1.00 62.10 ? 265 ILE C N 1 ? ? +10400 ATOM C CA . ILE C 3 243 ? 56.104 -61.974 -33.792 1.00 62.01 ? 265 ILE C CA 1 ? ? +10401 ATOM C CB . ILE C 3 243 ? 54.568 -61.989 -33.588 1.00 61.29 ? 265 ILE C CB 1 ? ? +10402 ATOM C CG1 . ILE C 3 243 ? 54.082 -60.744 -32.838 1.00 60.84 ? 265 ILE C CG1 1 ? ? +10403 ATOM C CG2 . ILE C 3 243 ? 54.107 -63.278 -32.894 1.00 61.49 ? 265 ILE C CG2 1 ? ? +10404 ATOM C CD1 . ILE C 3 243 ? 54.691 -60.625 -31.421 1.00 61.39 ? 265 ILE C CD1 1 ? ? +10405 ATOM C C . ILE C 3 243 ? 56.532 -63.099 -34.728 1.00 62.16 ? 265 ILE C C 1 ? ? +10406 ATOM O O . ILE C 3 243 ? 56.322 -63.016 -35.934 1.00 61.78 ? 265 ILE C O 1 ? ? +10407 ATOM N N . TRP C 3 244 ? 57.102 -64.163 -34.165 1.00 62.65 ? 266 TRP C N 1 ? ? +10408 ATOM C CA . TRP C 3 244 ? 57.631 -65.258 -34.963 1.00 63.15 ? 266 TRP C CA 1 ? ? +10409 ATOM C CB . TRP C 3 244 ? 59.124 -65.499 -34.641 1.00 64.06 ? 266 TRP C CB 1 ? ? +10410 ATOM C CG . TRP C 3 244 ? 59.910 -64.250 -34.843 1.00 64.02 ? 266 TRP C CG 1 ? ? +10411 ATOM C CD1 . TRP C 3 244 ? 60.028 -63.210 -33.973 1.00 63.80 ? 266 TRP C CD1 1 ? ? +10412 ATOM N NE1 . TRP C 3 244 ? 60.780 -62.207 -34.533 1.00 63.90 ? 266 TRP C NE1 1 ? ? +10413 ATOM C CE2 . TRP C 3 244 ? 61.150 -62.582 -35.800 1.00 64.13 ? 266 TRP C CE2 1 ? ? +10414 ATOM C CZ2 . TRP C 3 244 ? 61.912 -61.910 -36.756 1.00 64.28 ? 266 TRP C CZ2 1 ? ? +10415 ATOM C CH2 . TRP C 3 244 ? 62.117 -62.539 -37.949 1.00 64.51 ? 266 TRP C CH2 1 ? ? +10416 ATOM C CZ3 . TRP C 3 244 ? 61.592 -63.809 -38.207 1.00 64.62 ? 266 TRP C CZ3 1 ? ? +10417 ATOM C CE3 . TRP C 3 244 ? 60.830 -64.473 -37.268 1.00 64.42 ? 266 TRP C CE3 1 ? ? +10418 ATOM C CD2 . TRP C 3 244 ? 60.597 -63.857 -36.035 1.00 64.19 ? 266 TRP C CD2 1 ? ? +10419 ATOM C C . TRP C 3 244 ? 56.775 -66.503 -34.756 1.00 63.01 ? 266 TRP C C 1 ? ? +10420 ATOM O O . TRP C 3 244 ? 57.049 -67.324 -33.887 1.00 63.68 ? 266 TRP C O 1 ? ? +10421 ATOM N N . SER C 3 245 ? 55.724 -66.616 -35.569 1.00 62.19 ? 267 SER C N 1 ? ? +10422 ATOM C CA . SER C 3 245 ? 54.789 -67.726 -35.490 1.00 61.90 ? 267 SER C CA 1 ? ? +10423 ATOM C CB . SER C 3 245 ? 53.772 -67.515 -34.370 1.00 61.35 ? 267 SER C CB 1 ? ? +10424 ATOM O OG . SER C 3 245 ? 52.767 -66.578 -34.717 1.00 60.29 ? 267 SER C OG 1 ? ? +10425 ATOM C C . SER C 3 245 ? 54.068 -67.885 -36.825 1.00 61.29 ? 267 SER C C 1 ? ? +10426 ATOM O O . SER C 3 245 ? 54.009 -66.952 -37.618 1.00 60.82 ? 267 SER C O 1 ? ? +10427 ATOM N N . GLY C 3 246 ? 53.525 -69.084 -37.051 1.00 61.29 ? 268 GLY C N 1 ? ? +10428 ATOM C CA . GLY C 3 246 ? 52.770 -69.380 -38.254 1.00 60.77 ? 268 GLY C CA 1 ? ? +10429 ATOM C C . GLY C 3 246 ? 51.648 -68.383 -38.504 1.00 59.65 ? 268 GLY C C 1 ? ? +10430 ATOM O O . GLY C 3 246 ? 51.522 -67.873 -39.613 1.00 59.24 ? 268 GLY C O 1 ? ? +10431 ATOM N N . GLU C 3 247 ? 50.863 -68.096 -37.459 1.00 59.12 ? 269 GLU C N 1 ? ? +10432 ATOM C CA . GLU C 3 247 ? 49.732 -67.186 -37.580 1.00 58.15 ? 269 GLU C CA 1 ? ? +10433 ATOM C CB . GLU C 3 247 ? 48.857 -67.173 -36.311 1.00 57.80 ? 269 GLU C CB 1 ? ? +10434 ATOM C CG . GLU C 3 247 ? 47.522 -66.499 -36.579 1.00 56.97 ? 269 GLU C CG 1 ? ? +10435 ATOM C CD . GLU C 3 247 ? 46.417 -66.646 -35.541 1.00 56.64 ? 269 GLU C CD 1 ? ? +10436 ATOM O OE1 . GLU C 3 247 ? 46.714 -67.008 -34.386 1.00 57.01 ? 269 GLU C OE1 1 ? ? +10437 ATOM O OE2 . GLU C 3 247 ? 45.240 -66.413 -35.897 1.00 56.05 ? 269 GLU C OE2 1 ? ? +10438 ATOM C C . GLU C 3 247 ? 50.205 -65.767 -37.891 1.00 57.79 ? 269 GLU C C 1 ? ? +10439 ATOM O O . GLU C 3 247 ? 49.578 -65.048 -38.662 1.00 57.15 ? 269 GLU C O 1 ? ? +10440 ATOM N N . ALA C 3 248 ? 51.320 -65.367 -37.273 1.00 58.21 ? 270 ALA C N 1 ? ? +10441 ATOM C CA . ALA C 3 248 ? 51.881 -64.045 -37.487 1.00 57.97 ? 270 ALA C CA 1 ? ? +10442 ATOM C CB . ALA C 3 248 ? 53.067 -63.817 -36.557 1.00 58.53 ? 270 ALA C CB 1 ? ? +10443 ATOM C C . ALA C 3 248 ? 52.287 -63.878 -38.948 1.00 58.01 ? 270 ALA C C 1 ? ? +10444 ATOM O O . ALA C 3 248 ? 51.998 -62.849 -39.556 1.00 57.37 ? 270 ALA C O 1 ? ? +10445 ATOM N N . TYR C 3 249 ? 52.936 -64.911 -39.500 1.00 58.74 ? 271 TYR C N 1 ? ? +10446 ATOM C CA . TYR C 3 249 ? 53.416 -64.873 -40.870 1.00 59.00 ? 271 TYR C CA 1 ? ? +10447 ATOM C CB . TYR C 3 249 ? 54.282 -66.100 -41.218 1.00 60.01 ? 271 TYR C CB 1 ? ? +10448 ATOM C CG . TYR C 3 249 ? 55.437 -66.344 -40.270 1.00 60.94 ? 271 TYR C CG 1 ? ? +10449 ATOM C CD1 . TYR C 3 249 ? 56.118 -65.287 -39.682 1.00 61.03 ? 271 TYR C CD1 1 ? ? +10450 ATOM C CD2 . TYR C 3 249 ? 55.869 -67.630 -39.989 1.00 61.79 ? 271 TYR C CD2 1 ? ? +10451 ATOM C CE1 . TYR C 3 249 ? 57.179 -65.507 -38.814 1.00 61.84 ? 271 TYR C CE1 1 ? ? +10452 ATOM C CE2 . TYR C 3 249 ? 56.934 -67.861 -39.131 1.00 62.59 ? 271 TYR C CE2 1 ? ? +10453 ATOM C CZ . TYR C 3 249 ? 57.584 -66.796 -38.543 1.00 62.61 ? 271 TYR C CZ 1 ? ? +10454 ATOM O OH . TYR C 3 249 ? 58.630 -67.017 -37.687 1.00 63.52 ? 271 TYR C OH 1 ? ? +10455 ATOM C C . TYR C 3 249 ? 52.234 -64.769 -41.823 1.00 58.26 ? 271 TYR C C 1 ? ? +10456 ATOM O O . TYR C 3 249 ? 52.280 -64.010 -42.780 1.00 58.09 ? 271 TYR C O 1 ? ? +10457 ATOM N N . LEU C 3 250 ? 51.174 -65.531 -41.546 1.00 57.99 ? 272 LEU C N 1 ? ? +10458 ATOM C CA . LEU C 3 250 ? 49.938 -65.413 -42.303 1.00 57.25 ? 272 LEU C CA 1 ? ? +10459 ATOM C CB . LEU C 3 250 ? 48.899 -66.408 -41.773 1.00 57.19 ? 272 LEU C CB 1 ? ? +10460 ATOM C CG . LEU C 3 250 ? 47.526 -66.343 -42.434 1.00 56.60 ? 272 LEU C CG 1 ? ? +10461 ATOM C CD1 . LEU C 3 250 ? 47.574 -66.763 -43.895 1.00 56.73 ? 272 LEU C CD1 1 ? ? +10462 ATOM C CD2 . LEU C 3 250 ? 46.533 -67.202 -41.692 1.00 56.58 ? 272 LEU C CD2 1 ? ? +10463 ATOM C C . LEU C 3 250 ? 49.379 -63.992 -42.248 1.00 56.39 ? 272 LEU C C 1 ? ? +10464 ATOM O O . LEU C 3 250 ? 48.944 -63.455 -43.260 1.00 55.98 ? 272 LEU C O 1 ? ? +10465 ATOM N N . SER C 3 251 ? 49.406 -63.376 -41.064 1.00 56.16 ? 273 SER C N 1 ? ? +10466 ATOM C CA . SER C 3 251 ? 48.862 -62.039 -40.915 1.00 55.45 ? 273 SER C CA 1 ? ? +10467 ATOM C CB . SER C 3 251 ? 48.814 -61.607 -39.449 1.00 55.38 ? 273 SER C CB 1 ? ? +10468 ATOM O OG . SER C 3 251 ? 50.057 -61.148 -38.959 1.00 55.85 ? 273 SER C OG 1 ? ? +10469 ATOM C C . SER C 3 251 ? 49.612 -61.019 -41.766 1.00 55.38 ? 273 SER C C 1 ? ? +10470 ATOM O O . SER C 3 251 ? 48.971 -60.190 -42.407 1.00 54.77 ? 273 SER C O 1 ? ? +10471 ATOM N N . TYR C 3 252 ? 50.955 -61.107 -41.793 1.00 56.00 ? 274 TYR C N 1 ? ? +10472 ATOM C CA . TYR C 3 252 ? 51.765 -60.183 -42.574 1.00 56.07 ? 274 TYR C CA 1 ? ? +10473 ATOM C CB . TYR C 3 252 ? 53.299 -60.429 -42.426 1.00 56.99 ? 274 TYR C CB 1 ? ? +10474 ATOM C CG . TYR C 3 252 ? 53.795 -60.576 -41.005 1.00 57.31 ? 274 TYR C CG 1 ? ? +10475 ATOM C CD1 . TYR C 3 252 ? 53.237 -59.832 -39.970 1.00 56.81 ? 274 TYR C CD1 1 ? ? +10476 ATOM C CD2 . TYR C 3 252 ? 54.815 -61.462 -40.694 1.00 58.12 ? 274 TYR C CD2 1 ? ? +10477 ATOM C CE1 . TYR C 3 252 ? 53.682 -59.968 -38.661 1.00 57.13 ? 274 TYR C CE1 1 ? ? +10478 ATOM C CE2 . TYR C 3 252 ? 55.268 -61.608 -39.390 1.00 58.46 ? 274 TYR C CE2 1 ? ? +10479 ATOM C CZ . TYR C 3 252 ? 54.704 -60.854 -38.375 1.00 58.00 ? 274 TYR C CZ 1 ? ? +10480 ATOM O OH . TYR C 3 252 ? 55.162 -60.990 -37.082 1.00 58.39 ? 274 TYR C OH 1 ? ? +10481 ATOM C C . TYR C 3 252 ? 51.423 -60.262 -44.056 1.00 55.86 ? 274 TYR C C 1 ? ? +10482 ATOM O O . TYR C 3 252 ? 51.332 -59.235 -44.720 1.00 55.39 ? 274 TYR C O 1 ? ? +10483 ATOM N N . SER C 3 253 ? 51.254 -61.489 -44.560 1.00 56.23 ? 275 SER C N 1 ? ? +10484 ATOM C CA . SER C 3 253 ? 50.913 -61.705 -45.956 1.00 56.24 ? 275 SER C CA 1 ? ? +10485 ATOM C CB . SER C 3 253 ? 51.128 -63.168 -46.341 1.00 56.94 ? 275 SER C CB 1 ? ? +10486 ATOM O OG . SER C 3 253 ? 52.514 -63.508 -46.365 1.00 57.86 ? 275 SER C OG 1 ? ? +10487 ATOM C C . SER C 3 253 ? 49.489 -61.256 -46.288 1.00 55.43 ? 275 SER C C 1 ? ? +10488 ATOM O O . SER C 3 253 ? 49.241 -60.783 -47.394 1.00 55.15 ? 275 SER C O 1 ? ? +10489 ATOM N N . LEU C 3 254 ? 48.563 -61.376 -45.326 1.00 55.03 ? 276 LEU C N 1 ? ? +10490 ATOM C CA . LEU C 3 254 ? 47.199 -60.911 -45.534 1.00 54.33 ? 276 LEU C CA 1 ? ? +10491 ATOM C CB . LEU C 3 254 ? 46.280 -61.321 -44.370 1.00 54.10 ? 276 LEU C CB 1 ? ? +10492 ATOM C CG . LEU C 3 254 ? 45.927 -62.800 -44.294 1.00 54.45 ? 276 LEU C CG 1 ? ? +10493 ATOM C CD1 . LEU C 3 254 ? 45.247 -63.132 -43.000 1.00 54.32 ? 276 LEU C CD1 1 ? ? +10494 ATOM C CD2 . LEU C 3 254 ? 45.055 -63.196 -45.433 1.00 54.28 ? 276 LEU C CD2 1 ? ? +10495 ATOM C C . LEU C 3 254 ? 47.180 -59.395 -45.694 1.00 53.84 ? 276 LEU C C 1 ? ? +10496 ATOM O O . LEU C 3 254 ? 46.412 -58.868 -46.496 1.00 53.36 ? 276 LEU C O 1 ? ? +10497 ATOM N N . GLY C 3 255 ? 48.038 -58.712 -44.922 1.00 53.98 ? 277 GLY C N 1 ? ? +10498 ATOM C CA . GLY C 3 255 ? 48.232 -57.280 -45.060 1.00 53.66 ? 277 GLY C CA 1 ? ? +10499 ATOM C C . GLY C 3 255 ? 48.775 -56.907 -46.435 1.00 53.85 ? 277 GLY C C 1 ? ? +10500 ATOM O O . GLY C 3 255 ? 48.301 -55.973 -47.071 1.00 53.40 ? 277 GLY C O 1 ? ? +10501 ATOM N N . ALA C 3 256 ? 49.765 -57.673 -46.894 1.00 54.66 ? 278 ALA C N 1 ? ? +10502 ATOM C CA . ALA C 3 256 ? 50.399 -57.431 -48.178 1.00 55.00 ? 278 ALA C CA 1 ? ? +10503 ATOM C CB . ALA C 3 256 ? 51.582 -58.359 -48.365 1.00 55.81 ? 278 ALA C CB 1 ? ? +10504 ATOM C C . ALA C 3 256 ? 49.376 -57.606 -49.296 1.00 54.69 ? 278 ALA C C 1 ? ? +10505 ATOM O O . ALA C 3 256 ? 49.209 -56.728 -50.137 1.00 54.45 ? 278 ALA C O 1 ? ? +10506 ATOM N N . LEU C 3 257 ? 48.675 -58.741 -49.292 1.00 54.79 ? 279 LEU C N 1 ? ? +10507 ATOM C CA . LEU C 3 257 ? 47.671 -59.009 -50.311 1.00 54.56 ? 279 LEU C CA 1 ? ? +10508 ATOM C CB . LEU C 3 257 ? 47.129 -60.423 -50.138 1.00 54.77 ? 279 LEU C CB 1 ? ? +10509 ATOM C CG . LEU C 3 257 ? 47.723 -61.450 -51.103 1.00 55.46 ? 279 LEU C CG 1 ? ? +10510 ATOM C CD1 . LEU C 3 257 ? 49.211 -61.689 -50.852 1.00 56.19 ? 279 LEU C CD1 1 ? ? +10511 ATOM C CD2 . LEU C 3 257 ? 46.961 -62.755 -51.022 1.00 55.59 ? 279 LEU C CD2 1 ? ? +10512 ATOM C C . LEU C 3 257 ? 46.528 -57.989 -50.335 1.00 53.83 ? 279 LEU C C 1 ? ? +10513 ATOM O O . LEU C 3 257 ? 46.060 -57.625 -51.407 1.00 53.64 ? 279 LEU C O 1 ? ? +10514 ATOM N N . SER C 3 258 ? 46.099 -57.516 -49.165 1.00 53.49 ? 280 SER C N 1 ? ? +10515 ATOM C CA . SER C 3 258 ? 45.100 -56.461 -49.109 1.00 52.94 ? 280 SER C CA 1 ? ? +10516 ATOM C CB . SER C 3 258 ? 44.779 -56.105 -47.668 1.00 52.65 ? 280 SER C CB 1 ? ? +10517 ATOM O OG . SER C 3 258 ? 43.966 -54.951 -47.647 1.00 52.07 ? 280 SER C OG 1 ? ? +10518 ATOM C C . SER C 3 258 ? 45.552 -55.208 -49.855 1.00 52.93 ? 280 SER C C 1 ? ? +10519 ATOM O O . SER C 3 258 ? 44.845 -54.685 -50.713 1.00 52.54 ? 280 SER C O 1 ? ? +10520 ATOM N N . MET C 3 259 ? 46.751 -54.743 -49.508 1.00 53.38 ? 281 MET C N 1 ? ? +10521 ATOM C CA . MET C 3 259 ? 47.342 -53.565 -50.118 1.00 53.46 ? 281 MET C CA 1 ? ? +10522 ATOM C CB . MET C 3 259 ? 48.721 -53.321 -49.481 1.00 54.16 ? 281 MET C CB 1 ? ? +10523 ATOM C CG . MET C 3 259 ? 49.569 -52.355 -50.190 1.00 54.61 ? 281 MET C CG 1 ? ? +10524 ATOM S SD . MET C 3 259 ? 51.157 -52.282 -49.367 1.00 55.65 ? 281 MET C SD 1 ? ? +10525 ATOM C CE . MET C 3 259 ? 51.820 -50.846 -50.174 1.00 55.86 ? 281 MET C CE 1 ? ? +10526 ATOM C C . MET C 3 259 ? 47.441 -53.723 -51.631 1.00 53.49 ? 281 MET C C 1 ? ? +10527 ATOM O O . MET C 3 259 ? 47.079 -52.809 -52.369 1.00 53.13 ? 281 MET C O 1 ? ? +10528 ATOM N N . MET C 3 260 ? 47.909 -54.893 -52.082 1.00 53.91 ? 282 MET C N 1 ? ? +10529 ATOM C CA . MET C 3 260 ? 47.975 -55.200 -53.504 1.00 54.07 ? 282 MET C CA 1 ? ? +10530 ATOM C CB . MET C 3 260 ? 48.687 -56.550 -53.702 1.00 54.78 ? 282 MET C CB 1 ? ? +10531 ATOM C CG . MET C 3 260 ? 50.154 -56.423 -53.496 1.00 55.52 ? 282 MET C CG 1 ? ? +10532 ATOM S SD . MET C 3 260 ? 51.140 -57.868 -53.919 1.00 56.59 ? 282 MET C SD 1 ? ? +10533 ATOM C CE . MET C 3 260 ? 50.662 -58.979 -52.707 1.00 56.55 ? 282 MET C CE 1 ? ? +10534 ATOM C C . MET C 3 260 ? 46.584 -55.184 -54.160 1.00 53.34 ? 282 MET C C 1 ? ? +10535 ATOM O O . MET C 3 260 ? 46.409 -54.641 -55.245 1.00 53.20 ? 282 MET C O 1 ? ? +10536 ATOM N N . GLY C 3 261 ? 45.588 -55.772 -53.498 1.00 52.87 ? 283 GLY C N 1 ? ? +10537 ATOM C CA . GLY C 3 261 ? 44.227 -55.774 -54.015 1.00 52.34 ? 283 GLY C CA 1 ? ? +10538 ATOM C C . GLY C 3 261 ? 43.671 -54.378 -54.295 1.00 51.70 ? 283 GLY C C 1 ? ? +10539 ATOM O O . GLY C 3 261 ? 43.033 -54.152 -55.321 1.00 51.46 ? 283 GLY C O 1 ? ? +10540 ATOM N N . PHE C 3 262 ? 43.948 -53.444 -53.378 1.00 51.42 ? 284 PHE C N 1 ? ? +10541 ATOM C CA . PHE C 3 262 ? 43.563 -52.052 -53.538 1.00 50.91 ? 284 PHE C CA 1 ? ? +10542 ATOM C CB . PHE C 3 262 ? 43.844 -51.261 -52.260 1.00 50.70 ? 284 PHE C CB 1 ? ? +10543 ATOM C CG . PHE C 3 262 ? 42.923 -51.590 -51.115 1.00 50.34 ? 284 PHE C CG 1 ? ? +10544 ATOM C CD1 . PHE C 3 262 ? 41.538 -51.583 -51.285 1.00 49.85 ? 284 PHE C CD1 1 ? ? +10545 ATOM C CD2 . PHE C 3 262 ? 43.428 -51.887 -49.863 1.00 50.49 ? 284 PHE C CD2 1 ? ? +10546 ATOM C CE1 . PHE C 3 262 ? 40.694 -51.890 -50.232 1.00 49.52 ? 284 PHE C CE1 1 ? ? +10547 ATOM C CE2 . PHE C 3 262 ? 42.573 -52.185 -48.806 1.00 50.17 ? 284 PHE C CE2 1 ? ? +10548 ATOM C CZ . PHE C 3 262 ? 41.210 -52.181 -48.996 1.00 49.67 ? 284 PHE C CZ 1 ? ? +10549 ATOM C C . PHE C 3 262 ? 44.270 -51.361 -54.698 1.00 51.13 ? 284 PHE C C 1 ? ? +10550 ATOM O O . PHE C 3 262 ? 43.648 -50.586 -55.418 1.00 50.84 ? 284 PHE C O 1 ? ? +10551 ATOM N N . ILE C 3 263 ? 45.572 -51.623 -54.859 1.00 51.65 ? 285 ILE C N 1 ? ? +10552 ATOM C CA . ILE C 3 263 ? 46.311 -51.073 -55.982 1.00 51.96 ? 285 ILE C CA 1 ? ? +10553 ATOM C CB . ILE C 3 263 ? 47.837 -51.367 -55.860 1.00 52.64 ? 285 ILE C CB 1 ? ? +10554 ATOM C CG1 . ILE C 3 263 ? 48.422 -50.648 -54.638 1.00 52.65 ? 285 ILE C CG1 1 ? ? +10555 ATOM C CG2 . ILE C 3 263 ? 48.546 -50.991 -57.121 1.00 53.00 ? 285 ILE C CG2 1 ? ? +10556 ATOM C CD1 . ILE C 3 263 ? 49.796 -51.147 -54.199 1.00 53.36 ? 285 ILE C CD1 1 ? ? +10557 ATOM C C . ILE C 3 263 ? 45.743 -51.600 -57.300 1.00 51.99 ? 285 ILE C C 1 ? ? +10558 ATOM O O . ILE C 3 263 ? 45.540 -50.834 -58.240 1.00 51.89 ? 285 ILE C O 1 ? ? +10559 ATOM N N . ALA C 3 264 ? 45.508 -52.913 -57.374 1.00 52.15 ? 286 ALA C N 1 ? ? +10560 ATOM C CA . ALA C 3 264 ? 44.933 -53.518 -58.565 1.00 52.23 ? 286 ALA C CA 1 ? ? +10561 ATOM C CB . ALA C 3 264 ? 44.748 -55.002 -58.360 1.00 52.48 ? 286 ALA C CB 1 ? ? +10562 ATOM C C . ALA C 3 264 ? 43.597 -52.888 -58.952 1.00 51.66 ? 286 ALA C C 1 ? ? +10563 ATOM O O . ALA C 3 264 ? 43.323 -52.711 -60.141 1.00 51.73 ? 286 ALA C O 1 ? ? +10564 ATOM N N A THR C 3 265 ? 42.775 -52.562 -57.945 0.40 51.12 ? 287 THR C N 1 ? ? +10565 ATOM N N B THR C 3 265 ? 42.774 -52.567 -57.944 0.60 51.12 ? 287 THR C N 1 ? ? +10566 ATOM C CA A THR C 3 265 ? 41.493 -51.916 -58.175 0.40 50.58 ? 287 THR C CA 1 ? ? +10567 ATOM C CA B THR C 3 265 ? 41.491 -51.921 -58.173 0.60 50.59 ? 287 THR C CA 1 ? ? +10568 ATOM C C A THR C 3 265 ? 41.680 -50.599 -58.925 0.40 50.48 ? 287 THR C C 1 ? ? +10569 ATOM C C B THR C 3 265 ? 41.679 -50.607 -58.926 0.60 50.50 ? 287 THR C C 1 ? ? +10570 ATOM O O A THR C 3 265 ? 40.995 -50.334 -59.910 0.40 50.36 ? 287 THR C O 1 ? ? +10571 ATOM O O B THR C 3 265 ? 40.992 -50.343 -59.907 0.60 50.37 ? 287 THR C O 1 ? ? +10572 ATOM C CB A THR C 3 265 ? 40.760 -51.710 -56.844 0.40 50.08 ? 287 THR C CB 1 ? ? +10573 ATOM C CB B THR C 3 265 ? 40.753 -51.711 -56.840 0.60 50.08 ? 287 THR C CB 1 ? ? +10574 ATOM O OG1 A THR C 3 265 ? 40.418 -52.983 -56.296 0.40 50.15 ? 287 THR C OG1 1 ? ? +10575 ATOM O OG1 B THR C 3 265 ? 40.415 -52.981 -56.282 0.60 50.15 ? 287 THR C OG1 1 ? ? +10576 ATOM C CG2 A THR C 3 265 ? 39.519 -50.878 -57.002 0.40 49.53 ? 287 THR C CG2 1 ? ? +10577 ATOM C CG2 B THR C 3 265 ? 39.501 -50.898 -56.996 0.60 49.54 ? 287 THR C CG2 1 ? ? +10578 ATOM N N A CYS C 3 266 ? 42.635 -49.789 -58.458 0.40 50.59 ? 288 CYS C N 1 ? ? +10579 ATOM N N B CYS C 3 266 ? 42.629 -49.793 -58.458 0.60 50.63 ? 288 CYS C N 1 ? ? +10580 ATOM C CA A CYS C 3 266 ? 42.918 -48.498 -59.062 0.40 50.56 ? 288 CYS C CA 1 ? ? +10581 ATOM C CA B CYS C 3 266 ? 42.912 -48.503 -59.066 0.60 50.60 ? 288 CYS C CA 1 ? ? +10582 ATOM C C A CYS C 3 266 ? 43.588 -48.632 -60.428 0.40 51.03 ? 288 CYS C C 1 ? ? +10583 ATOM C C B CYS C 3 266 ? 43.589 -48.634 -60.428 0.60 51.05 ? 288 CYS C C 1 ? ? +10584 ATOM O O A CYS C 3 266 ? 43.337 -47.832 -61.327 0.40 50.96 ? 288 CYS C O 1 ? ? +10585 ATOM O O B CYS C 3 266 ? 43.339 -47.837 -61.329 0.60 50.97 ? 288 CYS C O 1 ? ? +10586 ATOM C CB A CYS C 3 266 ? 43.759 -47.652 -58.115 0.40 50.60 ? 288 CYS C CB 1 ? ? +10587 ATOM C CB B CYS C 3 266 ? 43.739 -47.654 -58.111 0.60 50.67 ? 288 CYS C CB 1 ? ? +10588 ATOM S SG A CYS C 3 266 ? 42.885 -47.154 -56.614 0.40 50.00 ? 288 CYS C SG 1 ? ? +10589 ATOM S SG B CYS C 3 266 ? 42.833 -47.152 -56.630 0.60 50.12 ? 288 CYS C SG 1 ? ? +10590 ATOM N N . PHE C 3 267 ? 44.440 -49.651 -60.571 1.00 51.53 ? 289 PHE C N 1 ? ? +10591 ATOM C CA . PHE C 3 267 ? 45.099 -49.920 -61.839 1.00 52.02 ? 289 PHE C CA 1 ? ? +10592 ATOM C CB . PHE C 3 267 ? 46.059 -51.120 -61.759 1.00 52.60 ? 289 PHE C CB 1 ? ? +10593 ATOM C CG . PHE C 3 267 ? 47.518 -50.758 -61.923 1.00 53.20 ? 289 PHE C CG 1 ? ? +10594 ATOM C CD1 . PHE C 3 267 ? 48.004 -50.309 -63.140 1.00 53.55 ? 289 PHE C CD1 1 ? ? +10595 ATOM C CD2 . PHE C 3 267 ? 48.400 -50.876 -60.863 1.00 53.46 ? 289 PHE C CD2 1 ? ? +10596 ATOM C CE1 . PHE C 3 267 ? 49.348 -49.994 -63.295 1.00 54.18 ? 289 PHE C CE1 1 ? ? +10597 ATOM C CE2 . PHE C 3 267 ? 49.742 -50.556 -61.013 1.00 54.03 ? 289 PHE C CE2 1 ? ? +10598 ATOM C CZ . PHE C 3 267 ? 50.214 -50.118 -62.229 1.00 54.40 ? 289 PHE C CZ 1 ? ? +10599 ATOM C C . PHE C 3 267 ? 44.095 -50.148 -62.961 1.00 51.80 ? 289 PHE C C 1 ? ? +10600 ATOM O O . PHE C 3 267 ? 44.163 -49.491 -63.989 1.00 51.90 ? 289 PHE C O 1 ? ? +10601 ATOM N N A VAL C 3 268 ? 43.152 -51.070 -62.740 0.40 51.58 ? 290 VAL C N 1 ? ? +10602 ATOM N N B VAL C 3 268 ? 43.154 -51.074 -62.742 0.60 51.58 ? 290 VAL C N 1 ? ? +10603 ATOM C CA A VAL C 3 268 ? 42.184 -51.420 -63.764 0.40 51.48 ? 290 VAL C CA 1 ? ? +10604 ATOM C CA B VAL C 3 268 ? 42.188 -51.427 -63.768 0.60 51.49 ? 290 VAL C CA 1 ? ? +10605 ATOM C C A VAL C 3 268 ? 41.196 -50.281 -64.002 0.40 50.91 ? 290 VAL C C 1 ? ? +10606 ATOM C C B VAL C 3 268 ? 41.202 -50.287 -64.018 0.60 50.89 ? 290 VAL C C 1 ? ? +10607 ATOM O O A VAL C 3 268 ? 40.653 -50.157 -65.094 0.40 50.96 ? 290 VAL C O 1 ? ? +10608 ATOM O O B VAL C 3 268 ? 40.670 -50.166 -65.118 0.60 50.95 ? 290 VAL C O 1 ? ? +10609 ATOM C CB A VAL C 3 268 ? 41.448 -52.729 -63.428 0.40 51.47 ? 290 VAL C CB 1 ? ? +10610 ATOM C CB B VAL C 3 268 ? 41.459 -52.748 -63.441 0.60 51.49 ? 290 VAL C CB 1 ? ? +10611 ATOM C CG1 A VAL C 3 268 ? 40.485 -52.543 -62.261 0.40 50.90 ? 290 VAL C CG1 1 ? ? +10612 ATOM C CG1 B VAL C 3 268 ? 40.500 -52.599 -62.262 0.60 50.94 ? 290 VAL C CG1 1 ? ? +10613 ATOM C CG2 A VAL C 3 268 ? 40.719 -53.265 -64.654 0.40 51.60 ? 290 VAL C CG2 1 ? ? +10614 ATOM C CG2 B VAL C 3 268 ? 40.722 -53.276 -64.669 0.60 51.63 ? 290 VAL C CG2 1 ? ? +10615 ATOM N N A TRP C 3 269 ? 40.984 -49.435 -62.989 0.40 50.38 ? 291 TRP C N 1 ? ? +10616 ATOM N N B TRP C 3 269 ? 40.983 -49.440 -63.007 0.60 50.34 ? 291 TRP C N 1 ? ? +10617 ATOM C CA A TRP C 3 269 ? 40.038 -48.340 -63.122 0.40 49.84 ? 291 TRP C CA 1 ? ? +10618 ATOM C CA B TRP C 3 269 ? 40.059 -48.330 -63.143 0.60 49.80 ? 291 TRP C CA 1 ? ? +10619 ATOM C C A TRP C 3 269 ? 40.579 -47.157 -63.920 0.40 49.94 ? 291 TRP C C 1 ? ? +10620 ATOM C C B TRP C 3 269 ? 40.603 -47.141 -63.932 0.60 49.90 ? 291 TRP C C 1 ? ? +10621 ATOM O O A TRP C 3 269 ? 39.829 -46.490 -64.628 0.40 49.79 ? 291 TRP C O 1 ? ? +10622 ATOM O O B TRP C 3 269 ? 39.852 -46.474 -64.639 0.60 49.76 ? 291 TRP C O 1 ? ? +10623 ATOM C CB A TRP C 3 269 ? 39.586 -47.834 -61.756 0.40 49.34 ? 291 TRP C CB 1 ? ? +10624 ATOM C CB B TRP C 3 269 ? 39.614 -47.840 -61.772 0.60 49.29 ? 291 TRP C CB 1 ? ? +10625 ATOM C CG A TRP C 3 269 ? 38.340 -46.990 -61.820 0.40 48.81 ? 291 TRP C CG 1 ? ? +10626 ATOM C CG B TRP C 3 269 ? 38.369 -47.001 -61.833 0.60 48.76 ? 291 TRP C CG 1 ? ? +10627 ATOM C CD1 A TRP C 3 269 ? 38.223 -45.677 -61.483 0.40 48.50 ? 291 TRP C CD1 1 ? ? +10628 ATOM C CD1 B TRP C 3 269 ? 38.254 -45.686 -61.512 0.60 48.45 ? 291 TRP C CD1 1 ? ? +10629 ATOM C CD2 A TRP C 3 269 ? 37.039 -47.412 -62.256 0.40 48.58 ? 291 TRP C CD2 1 ? ? +10630 ATOM C CD2 B TRP C 3 269 ? 37.072 -47.427 -62.266 0.60 48.51 ? 291 TRP C CD2 1 ? ? +10631 ATOM N NE1 A TRP C 3 269 ? 36.927 -45.252 -61.677 0.40 48.10 ? 291 TRP C NE1 1 ? ? +10632 ATOM N NE1 B TRP C 3 269 ? 36.960 -45.264 -61.708 0.60 48.05 ? 291 TRP C NE1 1 ? ? +10633 ATOM C CE2 A TRP C 3 269 ? 36.179 -46.299 -62.150 0.40 48.15 ? 291 TRP C CE2 1 ? ? +10634 ATOM C CE2 B TRP C 3 269 ? 36.212 -46.314 -62.171 0.60 48.08 ? 291 TRP C CE2 1 ? ? +10635 ATOM C CE3 A TRP C 3 269 ? 36.515 -48.621 -62.722 0.40 48.74 ? 291 TRP C CE3 1 ? ? +10636 ATOM C CE3 B TRP C 3 269 ? 36.550 -48.643 -62.719 0.60 48.66 ? 291 TRP C CE3 1 ? ? +10637 ATOM C CZ2 A TRP C 3 269 ? 34.825 -46.360 -62.497 0.40 47.85 ? 291 TRP C CZ2 1 ? ? +10638 ATOM C CZ2 B TRP C 3 269 ? 34.854 -46.379 -62.514 0.60 47.78 ? 291 TRP C CZ2 1 ? ? +10639 ATOM C CZ3 A TRP C 3 269 ? 35.170 -48.680 -63.057 0.40 48.47 ? 291 TRP C CZ3 1 ? ? +10640 ATOM C CZ3 B TRP C 3 269 ? 35.201 -48.707 -63.052 0.60 48.39 ? 291 TRP C CZ3 1 ? ? +10641 ATOM C CH2 A TRP C 3 269 ? 34.346 -47.557 -62.948 0.40 48.03 ? 291 TRP C CH2 1 ? ? +10642 ATOM C CH2 B TRP C 3 269 ? 34.376 -47.581 -62.956 0.60 47.95 ? 291 TRP C CH2 1 ? ? +10643 ATOM N N A PHE C 3 270 ? 41.878 -46.882 -63.789 0.40 50.23 ? 292 PHE C N 1 ? ? +10644 ATOM N N B PHE C 3 270 ? 41.901 -46.854 -63.788 0.60 50.19 ? 292 PHE C N 1 ? ? +10645 ATOM C CA A PHE C 3 270 ? 42.445 -45.670 -64.354 0.40 50.31 ? 292 PHE C CA 1 ? ? +10646 ATOM C CA B PHE C 3 270 ? 42.475 -45.650 -64.365 0.60 50.27 ? 292 PHE C CA 1 ? ? +10647 ATOM C C A PHE C 3 270 ? 43.362 -45.935 -65.544 0.40 50.91 ? 292 PHE C C 1 ? ? +10648 ATOM C C B PHE C 3 270 ? 43.407 -45.918 -65.542 0.60 50.88 ? 292 PHE C C 1 ? ? +10649 ATOM O O A PHE C 3 270 ? 43.370 -45.171 -66.504 0.40 51.05 ? 292 PHE C O 1 ? ? +10650 ATOM O O B PHE C 3 270 ? 43.463 -45.129 -66.480 0.60 51.04 ? 292 PHE C O 1 ? ? +10651 ATOM C CB A PHE C 3 270 ? 43.231 -44.915 -63.279 0.40 50.25 ? 292 PHE C CB 1 ? ? +10652 ATOM C CB B PHE C 3 270 ? 43.260 -44.886 -63.299 0.60 50.20 ? 292 PHE C CB 1 ? ? +10653 ATOM C CG A PHE C 3 270 ? 42.384 -44.211 -62.257 0.40 49.60 ? 292 PHE C CG 1 ? ? +10654 ATOM C CG B PHE C 3 270 ? 42.410 -44.168 -62.298 0.60 49.54 ? 292 PHE C CG 1 ? ? +10655 ATOM C CD1 A PHE C 3 270 ? 41.753 -43.020 -62.562 0.40 49.29 ? 292 PHE C CD1 1 ? ? +10656 ATOM C CD1 B PHE C 3 270 ? 41.777 -42.985 -62.628 0.60 49.23 ? 292 PHE C CD1 1 ? ? +10657 ATOM C CD2 A PHE C 3 270 ? 42.209 -44.743 -60.995 0.40 49.34 ? 292 PHE C CD2 1 ? ? +10658 ATOM C CD2 B PHE C 3 270 ? 42.229 -44.679 -61.027 0.60 49.26 ? 292 PHE C CD2 1 ? ? +10659 ATOM C CE1 A PHE C 3 270 ? 40.970 -42.372 -61.617 0.40 48.73 ? 292 PHE C CE1 1 ? ? +10660 ATOM C CE1 B PHE C 3 270 ? 40.985 -42.321 -61.698 0.60 48.67 ? 292 PHE C CE1 1 ? ? +10661 ATOM C CE2 A PHE C 3 270 ? 41.425 -44.092 -60.057 0.40 48.79 ? 292 PHE C CE2 1 ? ? +10662 ATOM C CE2 B PHE C 3 270 ? 41.436 -44.014 -60.103 0.60 48.71 ? 292 PHE C CE2 1 ? ? +10663 ATOM C CZ A PHE C 3 270 ? 40.814 -42.910 -60.371 0.40 48.48 ? 292 PHE C CZ 1 ? ? +10664 ATOM C CZ B PHE C 3 270 ? 40.825 -42.838 -60.442 0.60 48.41 ? 292 PHE C CZ 1 ? ? +10665 ATOM N N A ASN C 3 271 ? 44.144 -47.014 -65.466 0.40 51.27 ? 293 ASN C N 1 ? ? +10666 ATOM N N B ASN C 3 271 ? 44.161 -47.017 -65.472 0.60 51.25 ? 293 ASN C N 1 ? ? +10667 ATOM C CA A ASN C 3 271 ? 45.215 -47.234 -66.420 0.40 51.89 ? 293 ASN C CA 1 ? ? +10668 ATOM C CA B ASN C 3 271 ? 45.232 -47.245 -66.423 0.60 51.86 ? 293 ASN C CA 1 ? ? +10669 ATOM C C A ASN C 3 271 ? 44.680 -47.891 -67.686 0.40 52.04 ? 293 ASN C C 1 ? ? +10670 ATOM C C B ASN C 3 271 ? 44.683 -47.893 -67.688 0.60 52.02 ? 293 ASN C C 1 ? ? +10671 ATOM O O A ASN C 3 271 ? 43.972 -48.889 -67.611 0.40 51.90 ? 293 ASN C O 1 ? ? +10672 ATOM O O B ASN C 3 271 ? 43.969 -48.886 -67.614 0.60 51.87 ? 293 ASN C O 1 ? ? +10673 ATOM C CB A ASN C 3 271 ? 46.329 -48.085 -65.806 0.40 52.31 ? 293 ASN C CB 1 ? ? +10674 ATOM C CB B ASN C 3 271 ? 46.332 -48.098 -65.807 0.60 52.26 ? 293 ASN C CB 1 ? ? +10675 ATOM C CG A ASN C 3 271 ? 47.545 -48.160 -66.680 0.40 53.00 ? 293 ASN C CG 1 ? ? +10676 ATOM C CG B ASN C 3 271 ? 47.547 -48.161 -66.679 0.60 52.95 ? 293 ASN C CG 1 ? ? +10677 ATOM O OD1 A ASN C 3 271 ? 47.540 -48.802 -67.727 0.40 53.32 ? 293 ASN C OD1 1 ? ? +10678 ATOM O OD1 B ASN C 3 271 ? 47.543 -48.801 -67.725 0.60 53.26 ? 293 ASN C OD1 1 ? ? +10679 ATOM N ND2 A ASN C 3 271 ? 48.612 -47.499 -66.267 0.40 53.27 ? 293 ASN C ND2 1 ? ? +10680 ATOM N ND2 B ASN C 3 271 ? 48.609 -47.490 -66.269 0.60 53.22 ? 293 ASN C ND2 1 ? ? +10681 ATOM N N . ASN C 3 272 ? 45.044 -47.324 -68.842 1.00 52.37 ? 294 ASN C N 1 ? ? +10682 ATOM C CA . ASN C 3 272 ? 44.603 -47.843 -70.124 1.00 52.61 ? 294 ASN C CA 1 ? ? +10683 ATOM C CB . ASN C 3 272 ? 43.711 -46.805 -70.822 1.00 52.36 ? 294 ASN C CB 1 ? ? +10684 ATOM C CG . ASN C 3 272 ? 44.408 -45.518 -71.170 1.00 52.58 ? 294 ASN C CG 1 ? ? +10685 ATOM O OD1 . ASN C 3 272 ? 45.630 -45.357 -70.971 1.00 53.03 ? 294 ASN C OD1 1 ? ? +10686 ATOM N ND2 . ASN C 3 272 ? 43.651 -44.574 -71.714 1.00 52.34 ? 294 ASN C ND2 1 ? ? +10687 ATOM C C . ASN C 3 272 ? 45.764 -48.272 -71.018 1.00 53.33 ? 294 ASN C C 1 ? ? +10688 ATOM O O . ASN C 3 272 ? 45.577 -48.425 -72.217 1.00 53.65 ? 294 ASN C O 1 ? ? +10689 ATOM N N . THR C 3 273 ? 46.943 -48.498 -70.417 1.00 53.63 ? 295 THR C N 1 ? ? +10690 ATOM C CA . THR C 3 273 ? 48.123 -48.974 -71.127 1.00 54.33 ? 295 THR C CA 1 ? ? +10691 ATOM C CB . THR C 3 273 ? 49.384 -48.236 -70.652 1.00 54.62 ? 295 THR C CB 1 ? ? +10692 ATOM O OG1 . THR C 3 273 ? 49.244 -46.851 -70.892 1.00 54.38 ? 295 THR C OG1 1 ? ? +10693 ATOM C CG2 . THR C 3 273 ? 50.642 -48.709 -71.357 1.00 55.46 ? 295 THR C CG2 1 ? ? +10694 ATOM C C . THR C 3 273 ? 48.266 -50.482 -70.950 1.00 54.59 ? 295 THR C C 1 ? ? +10695 ATOM O O . THR C 3 273 ? 48.310 -51.213 -71.930 1.00 54.98 ? 295 THR C O 1 ? ? +10696 ATOM N N . VAL C 3 274 ? 48.355 -50.939 -69.698 1.00 54.41 ? 296 VAL C N 1 ? ? +10697 ATOM C CA . VAL C 3 274 ? 48.457 -52.360 -69.406 1.00 54.69 ? 296 VAL C CA 1 ? ? +10698 ATOM C CB . VAL C 3 274 ? 49.349 -52.641 -68.172 1.00 54.84 ? 296 VAL C CB 1 ? ? +10699 ATOM C CG1 . VAL C 3 274 ? 50.774 -52.167 -68.415 1.00 55.47 ? 296 VAL C CG1 1 ? ? +10700 ATOM C CG2 . VAL C 3 274 ? 48.759 -52.031 -66.895 1.00 54.17 ? 296 VAL C CG2 1 ? ? +10701 ATOM C C . VAL C 3 274 ? 47.079 -52.998 -69.231 1.00 54.26 ? 296 VAL C C 1 ? ? +10702 ATOM O O . VAL C 3 274 ? 46.963 -54.214 -69.116 1.00 54.46 ? 296 VAL C O 1 ? ? +10703 ATOM N N . TYR C 3 275 ? 46.031 -52.171 -69.183 1.00 53.71 ? 297 TYR C N 1 ? ? +10704 ATOM C CA . TYR C 3 275 ? 44.676 -52.634 -69.418 1.00 53.38 ? 297 TYR C CA 1 ? ? +10705 ATOM C CB . TYR C 3 275 ? 43.806 -52.413 -68.182 1.00 52.70 ? 297 TYR C CB 1 ? ? +10706 ATOM C CG . TYR C 3 275 ? 44.292 -53.165 -66.972 1.00 52.73 ? 297 TYR C CG 1 ? ? +10707 ATOM C CD1 . TYR C 3 275 ? 43.897 -54.471 -66.737 1.00 52.78 ? 297 TYR C CD1 1 ? ? +10708 ATOM C CD2 . TYR C 3 275 ? 45.187 -52.585 -66.084 1.00 52.76 ? 297 TYR C CD2 1 ? ? +10709 ATOM C CE1 . TYR C 3 275 ? 44.361 -55.178 -65.633 1.00 52.89 ? 297 TYR C CE1 1 ? ? +10710 ATOM C CE2 . TYR C 3 275 ? 45.664 -53.282 -64.980 1.00 52.86 ? 297 TYR C CE2 1 ? ? +10711 ATOM C CZ . TYR C 3 275 ? 45.260 -54.585 -64.760 1.00 52.92 ? 297 TYR C CZ 1 ? ? +10712 ATOM O OH . TYR C 3 275 ? 45.743 -55.254 -63.657 1.00 53.04 ? 297 TYR C OH 1 ? ? +10713 ATOM C C . TYR C 3 275 ? 44.164 -51.856 -70.625 1.00 53.44 ? 297 TYR C C 1 ? ? +10714 ATOM O O . TYR C 3 275 ? 43.517 -50.827 -70.470 1.00 53.01 ? 297 TYR C O 1 ? ? +10715 ATOM N N . PRO C 3 276 ? 44.461 -52.288 -71.870 1.00 54.06 ? 298 PRO C N 1 ? ? +10716 ATOM C CA . PRO C 3 276 ? 44.029 -51.552 -73.057 1.00 54.16 ? 298 PRO C CA 1 ? ? +10717 ATOM C CB . PRO C 3 276 ? 44.626 -52.365 -74.215 1.00 54.86 ? 298 PRO C CB 1 ? ? +10718 ATOM C CG . PRO C 3 276 ? 45.660 -53.232 -73.611 1.00 55.23 ? 298 PRO C CG 1 ? ? +10719 ATOM C CD . PRO C 3 276 ? 45.218 -53.501 -72.210 1.00 54.70 ? 298 PRO C CD 1 ? ? +10720 ATOM C C . PRO C 3 276 ? 42.506 -51.450 -73.161 1.00 53.66 ? 298 PRO C C 1 ? ? +10721 ATOM O O . PRO C 3 276 ? 41.801 -52.419 -72.913 1.00 53.51 ? 298 PRO C O 1 ? ? +10722 ATOM N N . SER C 3 277 ? 42.023 -50.264 -73.531 1.00 53.47 ? 299 SER C N 1 ? ? +10723 ATOM C CA . SER C 3 277 ? 40.598 -50.010 -73.631 1.00 53.06 ? 299 SER C CA 1 ? ? +10724 ATOM C CB . SER C 3 277 ? 40.326 -48.516 -73.764 1.00 52.73 ? 299 SER C CB 1 ? ? +10725 ATOM O OG . SER C 3 277 ? 40.749 -47.859 -72.584 1.00 52.39 ? 299 SER C OG 1 ? ? +10726 ATOM C C . SER C 3 277 ? 39.966 -50.784 -74.784 1.00 53.46 ? 299 SER C C 1 ? ? +10727 ATOM O O . SER C 3 277 ? 38.770 -51.072 -74.746 1.00 53.26 ? 299 SER C O 1 ? ? +10728 ATOM N N . GLU C 3 278 ? 40.772 -51.129 -75.796 1.00 54.15 ? 300 GLU C N 1 ? ? +10729 ATOM C CA . GLU C 3 278 ? 40.323 -52.004 -76.868 1.00 54.57 ? 300 GLU C CA 1 ? ? +10730 ATOM C CB . GLU C 3 278 ? 41.459 -52.329 -77.865 1.00 55.37 ? 300 GLU C CB 1 ? ? +10731 ATOM C CG . GLU C 3 278 ? 42.083 -51.145 -78.591 1.00 55.63 ? 300 GLU C CG 1 ? ? +10732 ATOM C CD . GLU C 3 278 ? 43.322 -50.560 -77.941 1.00 55.70 ? 300 GLU C CD 1 ? ? +10733 ATOM O OE1 . GLU C 3 278 ? 43.290 -50.357 -76.708 1.00 55.24 ? 300 GLU C OE1 1 ? ? +10734 ATOM O OE2 . GLU C 3 278 ? 44.310 -50.283 -78.663 1.00 56.21 ? 300 GLU C OE2 1 ? ? +10735 ATOM C C . GLU C 3 278 ? 39.793 -53.340 -76.345 1.00 54.51 ? 300 GLU C C 1 ? ? +10736 ATOM O O . GLU C 3 278 ? 38.906 -53.925 -76.961 1.00 54.66 ? 300 GLU C O 1 ? ? +10737 ATOM N N . PHE C 3 279 ? 40.363 -53.835 -75.236 1.00 54.42 ? 301 PHE C N 1 ? ? +10738 ATOM C CA . PHE C 3 279 ? 39.983 -55.122 -74.671 1.00 54.36 ? 301 PHE C CA 1 ? ? +10739 ATOM C CB . PHE C 3 279 ? 41.227 -55.919 -74.305 1.00 54.83 ? 301 PHE C CB 1 ? ? +10740 ATOM C CG . PHE C 3 279 ? 42.263 -56.041 -75.402 1.00 55.57 ? 301 PHE C CG 1 ? ? +10741 ATOM C CD1 . PHE C 3 279 ? 41.885 -56.319 -76.708 1.00 55.89 ? 301 PHE C CD1 1 ? ? +10742 ATOM C CD2 . PHE C 3 279 ? 43.625 -55.898 -75.119 1.00 55.93 ? 301 PHE C CD2 1 ? ? +10743 ATOM C CE1 . PHE C 3 279 ? 42.840 -56.443 -77.709 1.00 56.58 ? 301 PHE C CE1 1 ? ? +10744 ATOM C CE2 . PHE C 3 279 ? 44.571 -56.026 -76.125 1.00 56.59 ? 301 PHE C CE2 1 ? ? +10745 ATOM C CZ . PHE C 3 279 ? 44.171 -56.291 -77.416 1.00 56.91 ? 301 PHE C CZ 1 ? ? +10746 ATOM C C . PHE C 3 279 ? 39.084 -55.019 -73.437 1.00 53.67 ? 301 PHE C C 1 ? ? +10747 ATOM O O . PHE C 3 279 ? 38.147 -55.803 -73.271 1.00 53.52 ? 301 PHE C O 1 ? ? +10748 ATOM N N . TYR C 3 280 ? 39.385 -54.051 -72.567 1.00 53.22 ? 302 TYR C N 1 ? ? +10749 ATOM C CA . TYR C 3 280 ? 38.671 -53.886 -71.312 1.00 52.57 ? 302 TYR C CA 1 ? ? +10750 ATOM C CB . TYR C 3 280 ? 39.682 -53.472 -70.253 1.00 52.47 ? 302 TYR C CB 1 ? ? +10751 ATOM C CG . TYR C 3 280 ? 40.616 -54.584 -69.851 1.00 52.86 ? 302 TYR C CG 1 ? ? +10752 ATOM C CD1 . TYR C 3 280 ? 40.225 -55.545 -68.933 1.00 52.69 ? 302 TYR C CD1 1 ? ? +10753 ATOM C CD2 . TYR C 3 280 ? 41.893 -54.675 -70.388 1.00 53.43 ? 302 TYR C CD2 1 ? ? +10754 ATOM C CE1 . TYR C 3 280 ? 41.075 -56.570 -68.559 1.00 53.12 ? 302 TYR C CE1 1 ? ? +10755 ATOM C CE2 . TYR C 3 280 ? 42.760 -55.690 -70.010 1.00 53.84 ? 302 TYR C CE2 1 ? ? +10756 ATOM C CZ . TYR C 3 280 ? 42.346 -56.639 -69.094 1.00 53.69 ? 302 TYR C CZ 1 ? ? +10757 ATOM O OH . TYR C 3 280 ? 43.178 -57.654 -68.692 1.00 54.14 ? 302 TYR C OH 1 ? ? +10758 ATOM C C . TYR C 3 280 ? 37.541 -52.854 -71.358 1.00 52.02 ? 302 TYR C C 1 ? ? +10759 ATOM O O . TYR C 3 280 ? 36.771 -52.721 -70.403 1.00 51.47 ? 302 TYR C O 1 ? ? +10760 ATOM N N A GLY C 3 281 ? 37.464 -52.121 -72.477 0.40 52.17 ? 303 GLY C N 1 ? ? +10761 ATOM N N B GLY C 3 281 ? 37.465 -52.123 -72.478 0.60 52.13 ? 303 GLY C N 1 ? ? +10762 ATOM C CA A GLY C 3 281 ? 36.558 -50.994 -72.608 0.40 51.74 ? 303 GLY C CA 1 ? ? +10763 ATOM C CA B GLY C 3 281 ? 36.558 -50.998 -72.613 0.60 51.67 ? 303 GLY C CA 1 ? ? +10764 ATOM C C A GLY C 3 281 ? 37.178 -49.723 -72.035 0.40 51.48 ? 303 GLY C C 1 ? ? +10765 ATOM C C B GLY C 3 281 ? 37.174 -49.725 -72.042 0.60 51.37 ? 303 GLY C C 1 ? ? +10766 ATOM O O A GLY C 3 281 ? 38.190 -49.776 -71.340 0.40 51.54 ? 303 GLY C O 1 ? ? +10767 ATOM O O B GLY C 3 281 ? 38.183 -49.775 -71.343 0.60 51.41 ? 303 GLY C O 1 ? ? +10768 ATOM N N A PRO C 3 282 ? 36.565 -48.544 -72.276 0.40 51.16 ? 304 PRO C N 1 ? ? +10769 ATOM N N B PRO C 3 282 ? 36.553 -48.548 -72.278 0.60 51.01 ? 304 PRO C N 1 ? ? +10770 ATOM C CA A PRO C 3 282 ? 37.124 -47.285 -71.795 0.40 50.96 ? 304 PRO C CA 1 ? ? +10771 ATOM C CA B PRO C 3 282 ? 37.106 -47.290 -71.790 0.60 50.77 ? 304 PRO C CA 1 ? ? +10772 ATOM C C A PRO C 3 282 ? 37.054 -47.218 -70.274 0.40 50.46 ? 304 PRO C C 1 ? ? +10773 ATOM C C B PRO C 3 282 ? 37.040 -47.210 -70.268 0.60 50.25 ? 304 PRO C C 1 ? ? +10774 ATOM O O A PRO C 3 282 ? 36.222 -47.883 -69.658 0.40 50.19 ? 304 PRO C O 1 ? ? +10775 ATOM O O B PRO C 3 282 ? 36.191 -47.846 -69.643 0.60 49.97 ? 304 PRO C O 1 ? ? +10776 ATOM C CB A PRO C 3 282 ? 36.234 -46.241 -72.474 0.40 50.77 ? 304 PRO C CB 1 ? ? +10777 ATOM C CB B PRO C 3 282 ? 36.209 -46.249 -72.461 0.60 50.59 ? 304 PRO C CB 1 ? ? +10778 ATOM C CG A PRO C 3 282 ? 34.926 -46.943 -72.662 0.40 50.60 ? 304 PRO C CG 1 ? ? +10779 ATOM C CG B PRO C 3 282 ? 34.908 -46.953 -72.650 0.60 50.42 ? 304 PRO C CG 1 ? ? +10780 ATOM C CD A PRO C 3 282 ? 35.275 -48.369 -72.963 0.40 51.00 ? 304 PRO C CD 1 ? ? +10781 ATOM C CD B PRO C 3 282 ? 35.261 -48.372 -72.963 0.60 50.83 ? 304 PRO C CD 1 ? ? +10782 ATOM N N A THR C 3 283 ? 37.942 -46.419 -69.675 0.40 50.37 ? 305 THR C N 1 ? ? +10783 ATOM N N B THR C 3 283 ? 37.943 -46.416 -69.686 0.60 50.14 ? 305 THR C N 1 ? ? +10784 ATOM C CA A THR C 3 283 ? 37.820 -46.079 -68.269 0.40 49.87 ? 305 THR C CA 1 ? ? +10785 ATOM C CA B THR C 3 283 ? 37.855 -46.072 -68.278 0.60 49.62 ? 305 THR C CA 1 ? ? +10786 ATOM C C A THR C 3 283 ? 36.633 -45.128 -68.095 0.40 49.33 ? 305 THR C C 1 ? ? +10787 ATOM C C B THR C 3 283 ? 36.661 -45.132 -68.073 0.60 49.06 ? 305 THR C C 1 ? ? +10788 ATOM O O A THR C 3 283 ? 36.091 -44.610 -69.069 0.40 49.36 ? 305 THR C O 1 ? ? +10789 ATOM O O B THR C 3 283 ? 36.077 -44.633 -69.031 0.60 49.07 ? 305 THR C O 1 ? ? +10790 ATOM C CB A THR C 3 283 ? 39.125 -45.476 -67.747 0.40 50.01 ? 305 THR C CB 1 ? ? +10791 ATOM C CB B THR C 3 283 ? 39.171 -45.460 -67.792 0.60 49.76 ? 305 THR C CB 1 ? ? +10792 ATOM O OG1 A THR C 3 283 ? 39.282 -44.184 -68.303 0.40 50.00 ? 305 THR C OG1 1 ? ? +10793 ATOM O OG1 B THR C 3 283 ? 39.318 -44.185 -68.378 0.60 49.77 ? 305 THR C OG1 1 ? ? +10794 ATOM C CG2 A THR C 3 283 ? 40.325 -46.320 -68.086 0.40 50.60 ? 305 THR C CG2 1 ? ? +10795 ATOM C CG2 B THR C 3 283 ? 40.371 -46.312 -68.129 0.60 50.36 ? 305 THR C CG2 1 ? ? +10796 ATOM N N A GLY C 3 284 ? 36.238 -44.906 -66.838 0.40 48.83 ? 306 GLY C N 1 ? ? +10797 ATOM N N B GLY C 3 284 ? 36.303 -44.899 -66.807 0.60 48.56 ? 306 GLY C N 1 ? ? +10798 ATOM C CA A GLY C 3 284 ? 35.266 -43.881 -66.509 0.40 48.34 ? 306 GLY C CA 1 ? ? +10799 ATOM C CA B GLY C 3 284 ? 35.332 -43.879 -66.458 0.60 48.04 ? 306 GLY C CA 1 ? ? +10800 ATOM C C A GLY C 3 284 ? 35.709 -42.508 -67.001 0.40 48.40 ? 306 GLY C C 1 ? ? +10801 ATOM C C B GLY C 3 284 ? 35.748 -42.502 -66.962 0.60 48.09 ? 306 GLY C C 1 ? ? +10802 ATOM O O A GLY C 3 284 ? 34.973 -41.820 -67.701 0.40 48.31 ? 306 GLY C O 1 ? ? +10803 ATOM O O B GLY C 3 284 ? 34.980 -41.818 -67.633 0.60 47.98 ? 306 GLY C O 1 ? ? +10804 ATOM N N A PRO C 3 285 ? 36.931 -42.055 -66.644 0.40 48.59 ? 307 PRO C N 1 ? ? +10805 ATOM N N B PRO C 3 285 ? 36.977 -42.036 -66.644 0.60 48.29 ? 307 PRO C N 1 ? ? +10806 ATOM C CA A PRO C 3 285 ? 37.467 -40.808 -67.189 0.40 48.75 ? 307 PRO C CA 1 ? ? +10807 ATOM C CA B PRO C 3 285 ? 37.498 -40.795 -67.221 0.60 48.45 ? 307 PRO C CA 1 ? ? +10808 ATOM C C A PRO C 3 285 ? 37.403 -40.769 -68.713 0.40 49.13 ? 307 PRO C C 1 ? ? +10809 ATOM C C B PRO C 3 285 ? 37.432 -40.761 -68.746 0.60 48.83 ? 307 PRO C C 1 ? ? +10810 ATOM O O A PRO C 3 285 ? 37.023 -39.763 -69.307 0.40 49.10 ? 307 PRO C O 1 ? ? +10811 ATOM O O B PRO C 3 285 ? 37.046 -39.755 -69.336 0.60 48.80 ? 307 PRO C O 1 ? ? +10812 ATOM C CB A PRO C 3 285 ? 38.900 -40.809 -66.665 0.40 49.04 ? 307 PRO C CB 1 ? ? +10813 ATOM C CB B PRO C 3 285 ? 38.932 -40.770 -66.707 0.60 48.74 ? 307 PRO C CB 1 ? ? +10814 ATOM C CG A PRO C 3 285 ? 38.815 -41.609 -65.383 0.40 48.77 ? 307 PRO C CG 1 ? ? +10815 ATOM C CG B PRO C 3 285 ? 38.861 -41.546 -65.411 0.60 48.47 ? 307 PRO C CG 1 ? ? +10816 ATOM C CD A PRO C 3 285 ? 37.845 -42.695 -65.684 0.40 48.68 ? 307 PRO C CD 1 ? ? +10817 ATOM C CD B PRO C 3 285 ? 37.910 -42.643 -65.680 0.60 48.37 ? 307 PRO C CD 1 ? ? +10818 ATOM N N A GLU C 3 286 ? 37.774 -41.889 -69.335 0.40 49.52 ? 308 GLU C N 1 ? ? +10819 ATOM N N B GLU C 3 286 ? 37.806 -41.878 -69.371 0.60 49.22 ? 308 GLU C N 1 ? ? +10820 ATOM C CA A GLU C 3 286 ? 37.868 -41.963 -70.780 0.40 49.97 ? 308 GLU C CA 1 ? ? +10821 ATOM C CA B GLU C 3 286 ? 37.872 -41.959 -70.818 0.60 49.66 ? 308 GLU C CA 1 ? ? +10822 ATOM C C A GLU C 3 286 ? 36.499 -41.766 -71.420 0.40 49.75 ? 308 GLU C C 1 ? ? +10823 ATOM C C B GLU C 3 286 ? 36.498 -41.743 -71.445 0.60 49.43 ? 308 GLU C C 1 ? ? +10824 ATOM O O A GLU C 3 286 ? 36.347 -40.965 -72.336 0.40 49.91 ? 308 GLU C O 1 ? ? +10825 ATOM O O B GLU C 3 286 ? 36.347 -40.923 -72.345 0.60 49.58 ? 308 GLU C O 1 ? ? +10826 ATOM C CB A GLU C 3 286 ? 38.465 -43.303 -71.183 0.40 50.42 ? 308 GLU C CB 1 ? ? +10827 ATOM C CB B GLU C 3 286 ? 38.440 -43.308 -71.215 0.60 50.10 ? 308 GLU C CB 1 ? ? +10828 ATOM C CG A GLU C 3 286 ? 38.659 -43.474 -72.673 0.40 50.95 ? 308 GLU C CG 1 ? ? +10829 ATOM C CG B GLU C 3 286 ? 38.639 -43.491 -72.701 0.60 50.63 ? 308 GLU C CG 1 ? ? +10830 ATOM C CD A GLU C 3 286 ? 39.711 -44.506 -73.023 0.40 51.50 ? 308 GLU C CD 1 ? ? +10831 ATOM C CD B GLU C 3 286 ? 39.707 -44.513 -73.028 0.60 51.19 ? 308 GLU C CD 1 ? ? +10832 ATOM O OE1 A GLU C 3 286 ? 39.698 -45.603 -72.420 0.40 51.43 ? 308 GLU C OE1 1 ? ? +10833 ATOM O OE1 B GLU C 3 286 ? 39.707 -45.597 -72.402 0.60 51.12 ? 308 GLU C OE1 1 ? ? +10834 ATOM O OE2 A GLU C 3 286 ? 40.556 -44.212 -73.898 0.40 52.03 ? 308 GLU C OE2 1 ? ? +10835 ATOM O OE2 B GLU C 3 286 ? 40.551 -44.222 -73.905 0.60 51.72 ? 308 GLU C OE2 1 ? ? +10836 ATOM N N A ALA C 3 287 ? 35.503 -42.502 -70.925 0.40 49.41 ? 309 ALA C N 1 ? ? +10837 ATOM N N B ALA C 3 287 ? 35.500 -42.483 -70.954 0.60 49.10 ? 309 ALA C N 1 ? ? +10838 ATOM C CA A ALA C 3 287 ? 34.166 -42.426 -71.484 0.40 49.23 ? 309 ALA C CA 1 ? ? +10839 ATOM C CA B ALA C 3 287 ? 34.153 -42.407 -71.492 0.60 48.90 ? 309 ALA C CA 1 ? ? +10840 ATOM C C A ALA C 3 287 ? 33.650 -40.994 -71.386 0.40 48.94 ? 309 ALA C C 1 ? ? +10841 ATOM C C B ALA C 3 287 ? 33.581 -41.002 -71.335 0.60 48.58 ? 309 ALA C C 1 ? ? +10842 ATOM O O A ALA C 3 287 ? 33.161 -40.439 -72.365 0.40 49.09 ? 309 ALA C O 1 ? ? +10843 ATOM O O B ALA C 3 287 ? 32.988 -40.464 -72.265 0.60 48.70 ? 309 ALA C O 1 ? ? +10844 ATOM C CB A ALA C 3 287 ? 33.239 -43.395 -70.780 0.40 48.90 ? 309 ALA C CB 1 ? ? +10845 ATOM C CB B ALA C 3 287 ? 33.262 -43.432 -70.822 0.60 48.60 ? 309 ALA C CB 1 ? ? +10846 ATOM N N A SER C 3 288 ? 33.803 -40.394 -70.203 0.40 48.58 ? 310 SER C N 1 ? ? +10847 ATOM N N B SER C 3 288 ? 33.793 -40.407 -70.159 0.60 48.24 ? 310 SER C N 1 ? ? +10848 ATOM C CA A SER C 3 288 ? 33.359 -39.032 -69.963 0.40 48.30 ? 310 SER C CA 1 ? ? +10849 ATOM C CA B SER C 3 288 ? 33.354 -39.049 -69.890 0.60 47.96 ? 310 SER C CA 1 ? ? +10850 ATOM C C A SER C 3 288 ? 33.970 -38.040 -70.953 0.40 48.72 ? 310 SER C C 1 ? ? +10851 ATOM C C B SER C 3 288 ? 33.951 -38.033 -70.862 0.60 48.37 ? 310 SER C C 1 ? ? +10852 ATOM O O A SER C 3 288 ? 33.248 -37.302 -71.618 0.40 48.73 ? 310 SER C O 1 ? ? +10853 ATOM O O B SER C 3 288 ? 33.223 -37.245 -71.458 0.60 48.36 ? 310 SER C O 1 ? ? +10854 ATOM C CB A SER C 3 288 ? 33.670 -38.638 -68.524 0.40 47.94 ? 310 SER C CB 1 ? ? +10855 ATOM C CB B SER C 3 288 ? 33.683 -38.684 -68.450 0.60 47.60 ? 310 SER C CB 1 ? ? +10856 ATOM O OG A SER C 3 288 ? 33.119 -37.376 -68.189 0.40 47.62 ? 310 SER C OG 1 ? ? +10857 ATOM O OG B SER C 3 288 ? 33.238 -37.379 -68.117 0.60 47.31 ? 310 SER C OG 1 ? ? +10858 ATOM N N A GLN C 3 289 ? 35.303 -38.030 -71.056 0.40 49.12 ? 311 GLN C N 1 ? ? +10859 ATOM N N B GLN C 3 289 ? 35.278 -38.065 -71.031 0.60 48.80 ? 311 GLN C N 1 ? ? +10860 ATOM C CA A GLN C 3 289 ? 35.993 -37.204 -72.034 0.40 49.59 ? 311 GLN C CA 1 ? ? +10861 ATOM C CA B GLN C 3 289 ? 35.963 -37.216 -71.994 0.60 49.25 ? 311 GLN C CA 1 ? ? +10862 ATOM C C A GLN C 3 289 ? 35.402 -37.413 -73.426 0.40 49.96 ? 311 GLN C C 1 ? ? +10863 ATOM C C B GLN C 3 289 ? 35.407 -37.410 -73.403 0.60 49.63 ? 311 GLN C C 1 ? ? +10864 ATOM O O A GLN C 3 289 ? 35.214 -36.468 -74.191 0.40 50.10 ? 311 GLN C O 1 ? ? +10865 ATOM O O B GLN C 3 289 ? 35.220 -36.452 -74.150 0.60 49.77 ? 311 GLN C O 1 ? ? +10866 ATOM C CB A GLN C 3 289 ? 37.506 -37.538 -72.047 0.40 50.03 ? 311 GLN C CB 1 ? ? +10867 ATOM C CB B GLN C 3 289 ? 37.484 -37.520 -71.994 0.60 49.68 ? 311 GLN C CB 1 ? ? +10868 ATOM C CG A GLN C 3 289 ? 38.239 -37.130 -70.781 0.40 49.82 ? 311 GLN C CG 1 ? ? +10869 ATOM C CG B GLN C 3 289 ? 38.189 -37.130 -70.708 0.60 49.45 ? 311 GLN C CG 1 ? ? +10870 ATOM C CD A GLN C 3 289 ? 38.545 -35.659 -70.769 0.40 49.83 ? 311 GLN C CD 1 ? ? +10871 ATOM C CD B GLN C 3 289 ? 38.509 -35.662 -70.661 0.60 49.46 ? 311 GLN C CD 1 ? ? +10872 ATOM O OE1 A GLN C 3 289 ? 39.283 -35.151 -71.607 0.40 50.30 ? 311 GLN C OE1 1 ? ? +10873 ATOM O OE1 B GLN C 3 289 ? 39.349 -35.166 -71.402 0.60 49.92 ? 311 GLN C OE1 1 ? ? +10874 ATOM N NE2 A GLN C 3 289 ? 37.971 -34.932 -69.822 0.40 49.36 ? 311 GLN C NE2 1 ? ? +10875 ATOM N NE2 B GLN C 3 289 ? 37.841 -34.923 -69.782 0.60 48.97 ? 311 GLN C NE2 1 ? ? +10876 ATOM N N A ALA C 3 290 ? 35.115 -38.679 -73.738 0.40 50.14 ? 312 ALA C N 1 ? ? +10877 ATOM N N B ALA C 3 290 ? 35.153 -38.674 -73.750 0.60 49.86 ? 312 ALA C N 1 ? ? +10878 ATOM C CA A ALA C 3 290 ? 34.653 -39.076 -75.056 0.40 50.58 ? 312 ALA C CA 1 ? ? +10879 ATOM C CA B ALA C 3 290 ? 34.672 -39.041 -75.070 0.60 50.28 ? 312 ALA C CA 1 ? ? +10880 ATOM C C A ALA C 3 290 ? 33.255 -38.543 -75.357 0.40 50.39 ? 312 ALA C C 1 ? ? +10881 ATOM C C B ALA C 3 290 ? 33.293 -38.461 -75.380 0.60 50.12 ? 312 ALA C C 1 ? ? +10882 ATOM O O A ALA C 3 290 ? 32.854 -38.467 -76.517 0.40 50.72 ? 312 ALA C O 1 ? ? +10883 ATOM O O B ALA C 3 290 ? 32.972 -38.231 -76.544 0.60 50.48 ? 312 ALA C O 1 ? ? +10884 ATOM C CB A ALA C 3 290 ? 34.670 -40.592 -75.171 0.40 50.74 ? 312 ALA C CB 1 ? ? +10885 ATOM C CB B ALA C 3 290 ? 34.642 -40.556 -75.198 0.60 50.44 ? 312 ALA C CB 1 ? ? +10886 ATOM N N A GLN C 3 291 ? 32.506 -38.185 -74.310 0.40 49.93 ? 313 GLN C N 1 ? ? +10887 ATOM N N B GLN C 3 291 ? 32.475 -38.232 -74.345 0.60 49.66 ? 313 GLN C N 1 ? ? +10888 ATOM C CA A GLN C 3 291 ? 31.197 -37.590 -74.517 0.40 49.77 ? 313 GLN C CA 1 ? ? +10889 ATOM C CA B GLN C 3 291 ? 31.184 -37.596 -74.550 0.60 49.53 ? 313 GLN C CA 1 ? ? +10890 ATOM C C A GLN C 3 291 ? 31.367 -36.141 -74.961 0.40 49.98 ? 313 GLN C C 1 ? ? +10891 ATOM C C B GLN C 3 291 ? 31.379 -36.144 -74.978 0.60 49.75 ? 313 GLN C C 1 ? ? +10892 ATOM O O A GLN C 3 291 ? 30.709 -35.691 -75.894 0.40 50.17 ? 313 GLN C O 1 ? ? +10893 ATOM O O B GLN C 3 291 ? 30.737 -35.678 -75.912 0.60 49.95 ? 313 GLN C O 1 ? ? +10894 ATOM C CB A GLN C 3 291 ? 30.315 -37.653 -73.268 0.40 49.16 ? 313 GLN C CB 1 ? ? +10895 ATOM C CB B GLN C 3 291 ? 30.285 -37.660 -73.303 0.60 48.91 ? 313 GLN C CB 1 ? ? +10896 ATOM C CG A GLN C 3 291 ? 29.068 -36.792 -73.442 0.40 48.94 ? 313 GLN C CG 1 ? ? +10897 ATOM C CG B GLN C 3 291 ? 29.013 -36.821 -73.493 0.60 48.69 ? 313 GLN C CG 1 ? ? +10898 ATOM C CD A GLN C 3 291 ? 27.966 -37.103 -72.471 0.40 48.43 ? 313 GLN C CD 1 ? ? +10899 ATOM C CD B GLN C 3 291 ? 27.925 -37.062 -72.491 0.60 48.18 ? 313 GLN C CD 1 ? ? +10900 ATOM O OE1 A GLN C 3 291 ? 26.888 -37.546 -72.866 0.40 48.44 ? 313 GLN C OE1 1 ? ? +10901 ATOM O OE1 B GLN C 3 291 ? 26.813 -37.428 -72.859 0.60 48.17 ? 313 GLN C OE1 1 ? ? +10902 ATOM N NE2 A GLN C 3 291 ? 28.195 -36.874 -71.192 0.40 48.02 ? 313 GLN C NE2 1 ? ? +10903 ATOM N NE2 B GLN C 3 291 ? 28.196 -36.838 -71.221 0.60 47.78 ? 313 GLN C NE2 1 ? ? +10904 ATOM N N A ALA C 3 292 ? 32.269 -35.422 -74.288 0.40 50.03 ? 314 ALA C N 1 ? ? +10905 ATOM N N B ALA C 3 292 ? 32.276 -35.435 -74.287 0.60 49.81 ? 314 ALA C N 1 ? ? +10906 ATOM C CA A ALA C 3 292 ? 32.540 -34.033 -74.616 0.40 50.22 ? 314 ALA C CA 1 ? ? +10907 ATOM C CA B ALA C 3 292 ? 32.566 -34.048 -74.615 0.60 50.03 ? 314 ALA C CA 1 ? ? +10908 ATOM C C A ALA C 3 292 ? 33.054 -33.920 -76.048 0.40 50.92 ? 314 ALA C C 1 ? ? +10909 ATOM C C B ALA C 3 292 ? 33.066 -33.933 -76.052 0.60 50.75 ? 314 ALA C C 1 ? ? +10910 ATOM O O A ALA C 3 292 ? 32.619 -33.055 -76.803 0.40 51.10 ? 314 ALA C O 1 ? ? +10911 ATOM O O B ALA C 3 292 ? 32.627 -33.061 -76.799 0.60 50.92 ? 314 ALA C O 1 ? ? +10912 ATOM C CB A ALA C 3 292 ? 33.544 -33.445 -73.633 0.40 50.12 ? 314 ALA C CB 1 ? ? +10913 ATOM C CB B ALA C 3 292 ? 33.586 -33.475 -73.640 0.60 49.92 ? 314 ALA C CB 1 ? ? +10914 ATOM N N A MET C 3 293 ? 33.987 -34.808 -76.406 0.40 51.39 ? 315 MET C N 1 ? ? +10915 ATOM N N B MET C 3 293 ? 33.989 -34.827 -76.421 0.60 51.24 ? 315 MET C N 1 ? ? +10916 ATOM C CA A MET C 3 293 ? 34.565 -34.838 -77.740 0.40 52.09 ? 315 MET C CA 1 ? ? +10917 ATOM C CA B MET C 3 293 ? 34.550 -34.877 -77.764 0.60 51.96 ? 315 MET C CA 1 ? ? +10918 ATOM C C A MET C 3 293 ? 33.489 -35.091 -78.796 0.40 52.19 ? 315 MET C C 1 ? ? +10919 ATOM C C B MET C 3 293 ? 33.464 -35.118 -78.813 0.60 52.06 ? 315 MET C C 1 ? ? +10920 ATOM O O A MET C 3 293 ? 33.484 -34.471 -79.859 0.40 52.59 ? 315 MET C O 1 ? ? +10921 ATOM O O B MET C 3 293 ? 33.454 -34.484 -79.866 0.60 52.46 ? 315 MET C O 1 ? ? +10922 ATOM C CB A MET C 3 293 ? 35.629 -35.937 -77.786 0.40 52.50 ? 315 MET C CB 1 ? ? +10923 ATOM C CB B MET C 3 293 ? 35.601 -35.996 -77.807 0.60 52.37 ? 315 MET C CB 1 ? ? +10924 ATOM C CG A MET C 3 293 ? 35.981 -36.409 -79.165 0.40 53.22 ? 315 MET C CG 1 ? ? +10925 ATOM C CG B MET C 3 293 ? 36.018 -36.442 -79.183 0.60 53.12 ? 315 MET C CG 1 ? ? +10926 ATOM S SD A MET C 3 293 ? 37.588 -35.812 -79.736 0.40 54.01 ? 315 MET C SD 1 ? ? +10927 ATOM S SD B MET C 3 293 ? 37.657 -35.852 -79.647 0.60 53.90 ? 315 MET C SD 1 ? ? +10928 ATOM C CE A MET C 3 293 ? 37.316 -34.060 -79.626 0.40 53.88 ? 315 MET C CE 1 ? ? +10929 ATOM C CE B MET C 3 293 ? 37.327 -34.112 -79.657 0.60 53.78 ? 315 MET C CE 1 ? ? +10930 ATOM N N A THR C 3 294 ? 32.564 -36.004 -78.488 0.40 51.82 ? 316 THR C N 1 ? ? +10931 ATOM N N B THR C 3 294 ? 32.548 -36.043 -78.514 0.60 51.70 ? 316 THR C N 1 ? ? +10932 ATOM C CA A THR C 3 294 ? 31.524 -36.382 -79.429 0.40 51.92 ? 316 THR C CA 1 ? ? +10933 ATOM C CA B THR C 3 294 ? 31.484 -36.400 -79.440 0.60 51.80 ? 316 THR C CA 1 ? ? +10934 ATOM C C A THR C 3 294 ? 30.637 -35.199 -79.800 0.40 51.78 ? 316 THR C C 1 ? ? +10935 ATOM C C B THR C 3 294 ? 30.615 -35.202 -79.806 0.60 51.66 ? 316 THR C C 1 ? ? +10936 ATOM O O A THR C 3 294 ? 30.342 -34.988 -80.971 0.40 52.16 ? 316 THR C O 1 ? ? +10937 ATOM O O B THR C 3 294 ? 30.334 -34.981 -80.977 0.60 52.03 ? 316 THR C O 1 ? ? +10938 ATOM C CB A THR C 3 294 ? 30.706 -37.521 -78.859 0.40 51.59 ? 316 THR C CB 1 ? ? +10939 ATOM C CB B THR C 3 294 ? 30.664 -37.538 -78.849 0.60 51.45 ? 316 THR C CB 1 ? ? +10940 ATOM O OG1 A THR C 3 294 ? 31.535 -38.687 -78.830 0.40 51.79 ? 316 THR C OG1 1 ? ? +10941 ATOM O OG1 B THR C 3 294 ? 31.504 -38.696 -78.782 0.60 51.63 ? 316 THR C OG1 1 ? ? +10942 ATOM C CG2 A THR C 3 294 ? 29.425 -37.780 -79.668 0.40 51.69 ? 316 THR C CG2 1 ? ? +10943 ATOM C CG2 B THR C 3 294 ? 29.386 -37.838 -79.664 0.60 51.55 ? 316 THR C CG2 1 ? ? +10944 ATOM N N A PHE C 3 295 ? 30.238 -34.421 -78.791 0.40 51.26 ? 317 PHE C N 1 ? ? +10945 ATOM N N B PHE C 3 295 ? 30.219 -34.424 -78.797 0.60 51.17 ? 317 PHE C N 1 ? ? +10946 ATOM C CA A PHE C 3 295 ? 29.330 -33.303 -78.993 0.40 51.13 ? 317 PHE C CA 1 ? ? +10947 ATOM C CA B PHE C 3 295 ? 29.322 -33.296 -78.995 0.60 51.07 ? 317 PHE C CA 1 ? ? +10948 ATOM C C A PHE C 3 295 ? 30.034 -32.037 -79.469 0.40 51.41 ? 317 PHE C C 1 ? ? +10949 ATOM C C B PHE C 3 295 ? 30.034 -32.034 -79.470 0.60 51.37 ? 317 PHE C C 1 ? ? +10950 ATOM O O A PHE C 3 295 ? 29.419 -31.181 -80.099 0.40 51.52 ? 317 PHE C O 1 ? ? +10951 ATOM O O B PHE C 3 295 ? 29.424 -31.176 -80.102 0.60 51.48 ? 317 PHE C O 1 ? ? +10952 ATOM C CB A PHE C 3 295 ? 28.535 -33.053 -77.715 0.40 50.52 ? 317 PHE C CB 1 ? ? +10953 ATOM C CB B PHE C 3 295 ? 28.529 -33.043 -77.711 0.60 50.46 ? 317 PHE C CB 1 ? ? +10954 ATOM C CG A PHE C 3 295 ? 27.434 -34.071 -77.606 0.40 50.34 ? 317 PHE C CG 1 ? ? +10955 ATOM C CG B PHE C 3 295 ? 27.412 -34.049 -77.599 0.60 50.26 ? 317 PHE C CG 1 ? ? +10956 ATOM C CD1 A PHE C 3 295 ? 26.269 -33.930 -78.332 0.40 50.45 ? 317 PHE C CD1 1 ? ? +10957 ATOM C CD1 B PHE C 3 295 ? 26.232 -33.870 -78.289 0.60 50.36 ? 317 PHE C CD1 1 ? ? +10958 ATOM C CD2 A PHE C 3 295 ? 27.604 -35.216 -76.854 0.40 50.13 ? 317 PHE C CD2 1 ? ? +10959 ATOM C CD2 B PHE C 3 295 ? 27.582 -35.216 -76.881 0.60 50.07 ? 317 PHE C CD2 1 ? ? +10960 ATOM C CE1 A PHE C 3 295 ? 25.273 -34.887 -78.262 0.40 50.34 ? 317 PHE C CE1 1 ? ? +10961 ATOM C CE1 B PHE C 3 295 ? 25.222 -34.816 -78.219 0.60 50.26 ? 317 PHE C CE1 1 ? ? +10962 ATOM C CE2 A PHE C 3 295 ? 26.609 -36.171 -76.789 0.40 50.02 ? 317 PHE C CE2 1 ? ? +10963 ATOM C CE2 B PHE C 3 295 ? 26.576 -36.159 -76.817 0.60 49.96 ? 317 PHE C CE2 1 ? ? +10964 ATOM C CZ A PHE C 3 295 ? 25.446 -36.002 -77.493 0.40 50.12 ? 317 PHE C CZ 1 ? ? +10965 ATOM C CZ B PHE C 3 295 ? 25.396 -35.954 -77.487 0.60 50.06 ? 317 PHE C CZ 1 ? ? +10966 ATOM N N . LEU C 3 296 ? 31.336 -31.939 -79.183 1.00 51.51 ? 318 LEU C N 1 ? ? +10967 ATOM C CA . LEU C 3 296 ? 32.161 -30.913 -79.785 1.00 51.89 ? 318 LEU C CA 1 ? ? +10968 ATOM C CB . LEU C 3 296 ? 33.572 -30.937 -79.199 1.00 52.02 ? 318 LEU C CB 1 ? ? +10969 ATOM C CG . LEU C 3 296 ? 34.513 -29.839 -79.701 1.00 52.49 ? 318 LEU C CG 1 ? ? +10970 ATOM C CD1 . LEU C 3 296 ? 35.615 -29.584 -78.724 1.00 52.42 ? 318 LEU C CD1 1 ? ? +10971 ATOM C CD2 . LEU C 3 296 ? 35.105 -30.194 -81.033 1.00 53.19 ? 318 LEU C CD2 1 ? ? +10972 ATOM C C . LEU C 3 296 ? 32.146 -31.154 -81.294 1.00 52.40 ? 318 LEU C C 1 ? ? +10973 ATOM O O . LEU C 3 296 ? 31.896 -30.234 -82.064 1.00 52.65 ? 318 LEU C O 1 ? ? +10974 ATOM N N . ILE C 3 297 ? 32.377 -32.402 -81.711 1.00 52.58 ? 319 ILE C N 1 ? ? +10975 ATOM C CA . ILE C 3 297 ? 32.422 -32.736 -83.125 1.00 53.20 ? 319 ILE C CA 1 ? ? +10976 ATOM C CB . ILE C 3 297 ? 32.901 -34.181 -83.339 1.00 53.42 ? 319 ILE C CB 1 ? ? +10977 ATOM C CG1 . ILE C 3 297 ? 34.361 -34.352 -82.918 1.00 53.62 ? 319 ILE C CG1 1 ? ? +10978 ATOM C CG2 . ILE C 3 297 ? 32.711 -34.624 -84.799 1.00 54.02 ? 319 ILE C CG2 1 ? ? +10979 ATOM C CD1 . ILE C 3 297 ? 34.764 -35.767 -82.769 1.00 53.70 ? 319 ILE C CD1 1 ? ? +10980 ATOM C C . ILE C 3 297 ? 31.078 -32.517 -83.809 1.00 53.23 ? 319 ILE C C 1 ? ? +10981 ATOM O O . ILE C 3 297 ? 31.011 -31.949 -84.892 1.00 53.68 ? 319 ILE C O 1 ? ? +10982 ATOM N N . ARG C 3 298 ? 30.004 -33.000 -83.181 1.00 52.78 ? 320 ARG C N 1 ? ? +10983 ATOM C CA . ARG C 3 298 ? 28.675 -32.844 -83.740 1.00 52.79 ? 320 ARG C CA 1 ? ? +10984 ATOM C CB . ARG C 3 298 ? 27.603 -33.427 -82.827 1.00 52.21 ? 320 ARG C CB 1 ? ? +10985 ATOM C CG . ARG C 3 298 ? 26.256 -33.482 -83.533 1.00 52.33 ? 320 ARG C CG 1 ? ? +10986 ATOM C CD . ARG C 3 298 ? 25.103 -33.613 -82.603 1.00 51.77 ? 320 ARG C CD 1 ? ? +10987 ATOM N NE . ARG C 3 298 ? 24.902 -32.384 -81.852 1.00 51.42 ? 320 ARG C NE 1 ? ? +10988 ATOM C CZ . ARG C 3 298 ? 23.863 -32.152 -81.078 1.00 50.99 ? 320 ARG C CZ 1 ? ? +10989 ATOM N NH1 . ARG C 3 298 ? 22.764 -32.882 -81.167 1.00 51.00 ? 320 ARG C NH1 1 ? ? +10990 ATOM N NH2 . ARG C 3 298 ? 23.910 -31.141 -80.217 1.00 50.62 ? 320 ARG C NH2 1 ? ? +10991 ATOM C C . ARG C 3 298 ? 28.380 -31.369 -83.976 1.00 52.90 ? 320 ARG C C 1 ? ? +10992 ATOM O O . ARG C 3 298 ? 27.962 -30.986 -85.065 1.00 53.38 ? 320 ARG C O 1 ? ? +10993 ATOM N N . ASP C 3 299 ? 28.610 -30.553 -82.944 1.00 52.53 ? 321 ASP C N 1 ? ? +10994 ATOM C CA . ASP C 3 299 ? 28.186 -29.165 -82.969 1.00 52.52 ? 321 ASP C CA 1 ? ? +10995 ATOM C CB . ASP C 3 299 ? 28.126 -28.585 -81.550 1.00 51.91 ? 321 ASP C CB 1 ? ? +10996 ATOM C CG . ASP C 3 299 ? 27.012 -29.205 -80.697 1.00 51.31 ? 321 ASP C CG 1 ? ? +10997 ATOM O OD1 . ASP C 3 299 ? 26.287 -30.083 -81.213 1.00 51.36 ? 321 ASP C OD1 1 ? ? +10998 ATOM O OD2 . ASP C 3 299 ? 26.885 -28.821 -79.510 1.00 50.80 ? 321 ASP C OD2 1 ? ? +10999 ATOM C C . ASP C 3 299 ? 29.073 -28.336 -83.886 1.00 53.15 ? 321 ASP C C 1 ? ? +11000 ATOM O O . ASP C 3 299 ? 28.577 -27.435 -84.551 1.00 53.45 ? 321 ASP C O 1 ? ? +11001 ATOM N N . GLN C 3 300 ? 30.365 -28.674 -83.952 1.00 53.46 ? 322 GLN C N 1 ? ? +11002 ATOM C CA . GLN C 3 300 ? 31.284 -27.994 -84.851 1.00 54.10 ? 322 GLN C CA 1 ? ? +11003 ATOM C CB . GLN C 3 300 ? 32.734 -28.444 -84.603 1.00 54.35 ? 322 GLN C CB 1 ? ? +11004 ATOM C CG . GLN C 3 300 ? 33.733 -27.675 -85.447 1.00 55.08 ? 322 GLN C CG 1 ? ? +11005 ATOM C CD . GLN C 3 300 ? 35.174 -27.784 -84.969 1.00 55.32 ? 322 GLN C CD 1 ? ? +11006 ATOM O OE1 . GLN C 3 300 ? 35.798 -26.779 -84.593 1.00 55.48 ? 322 GLN C OE1 1 ? ? +11007 ATOM N NE2 . GLN C 3 300 ? 35.752 -28.973 -84.985 1.00 55.42 ? 322 GLN C NE2 1 ? ? +11008 ATOM C C . GLN C 3 300 ? 30.896 -28.224 -86.308 1.00 54.67 ? 322 GLN C C 1 ? ? +11009 ATOM O O . GLN C 3 300 ? 30.951 -27.295 -87.107 1.00 55.10 ? 322 GLN C O 1 ? ? +11010 ATOM N N . LYS C 3 301 ? 30.500 -29.458 -86.640 1.00 54.76 ? 323 LYS C N 1 ? ? +11011 ATOM C CA . LYS C 3 301 ? 29.985 -29.782 -87.964 1.00 55.35 ? 323 LYS C CA 1 ? ? +11012 ATOM C CB . LYS C 3 301 ? 29.603 -31.263 -88.081 1.00 55.31 ? 323 LYS C CB 1 ? ? +11013 ATOM C CG . LYS C 3 301 ? 30.736 -32.221 -88.228 1.00 55.62 ? 323 LYS C CG 1 ? ? +11014 ATOM C CD . LYS C 3 301 ? 30.225 -33.630 -88.364 1.00 55.62 ? 323 LYS C CD 1 ? ? +11015 ATOM C CE . LYS C 3 301 ? 31.315 -34.667 -88.371 1.00 55.89 ? 323 LYS C CE 1 ? ? +11016 ATOM N NZ . LYS C 3 301 ? 30.736 -36.043 -88.426 1.00 55.86 ? 323 LYS C NZ 1 ? ? +11017 ATOM C C . LYS C 3 301 ? 28.737 -28.984 -88.334 1.00 55.40 ? 323 LYS C C 1 ? ? +11018 ATOM O O . LYS C 3 301 ? 28.516 -28.719 -89.509 1.00 56.05 ? 323 LYS C O 1 ? ? +11019 ATOM N N . LEU C 3 302 ? 27.903 -28.657 -87.336 1.00 54.83 ? 324 LEU C N 1 ? ? +11020 ATOM C CA . LEU C 3 302 ? 26.720 -27.841 -87.554 1.00 54.82 ? 324 LEU C CA 1 ? ? +11021 ATOM C CB . LEU C 3 302 ? 25.720 -28.074 -86.412 1.00 54.15 ? 324 LEU C CB 1 ? ? +11022 ATOM C CG . LEU C 3 302 ? 25.041 -29.452 -86.369 1.00 54.00 ? 324 LEU C CG 1 ? ? +11023 ATOM C CD1 . LEU C 3 302 ? 24.180 -29.598 -85.149 1.00 53.32 ? 324 LEU C CD1 1 ? ? +11024 ATOM C CD2 . LEU C 3 302 ? 24.179 -29.686 -87.599 1.00 54.48 ? 324 LEU C CD2 1 ? ? +11025 ATOM C C . LEU C 3 302 ? 27.016 -26.345 -87.657 1.00 55.02 ? 324 LEU C C 1 ? ? +11026 ATOM O O . LEU C 3 302 ? 26.103 -25.570 -87.935 1.00 55.15 ? 324 LEU C O 1 ? ? +11027 ATOM N N . GLY C 3 303 ? 28.269 -25.940 -87.394 1.00 55.04 ? 325 GLY C N 1 ? ? +11028 ATOM C CA . GLY C 3 303 ? 28.696 -24.565 -87.588 1.00 55.26 ? 325 GLY C CA 1 ? ? +11029 ATOM C C . GLY C 3 303 ? 29.047 -23.785 -86.322 1.00 54.76 ? 325 GLY C C 1 ? ? +11030 ATOM O O . GLY C 3 303 ? 29.298 -22.584 -86.382 1.00 54.99 ? 325 GLY C O 1 ? ? +11031 ATOM N N . ALA C 3 304 ? 29.069 -24.451 -85.169 1.00 54.13 ? 326 ALA C N 1 ? ? +11032 ATOM C CA . ALA C 3 304 ? 29.435 -23.771 -83.940 1.00 53.70 ? 326 ALA C CA 1 ? ? +11033 ATOM C CB . ALA C 3 304 ? 29.011 -24.580 -82.741 1.00 53.01 ? 326 ALA C CB 1 ? ? +11034 ATOM C C . ALA C 3 304 ? 30.944 -23.522 -83.895 1.00 54.03 ? 326 ALA C C 1 ? ? +11035 ATOM O O . ALA C 3 304 ? 31.729 -24.359 -84.322 1.00 54.34 ? 326 ALA C O 1 ? ? +11036 ATOM N N . ASN C 3 305 ? 31.326 -22.339 -83.408 1.00 54.00 ? 327 ASN C N 1 ? ? +11037 ATOM C CA . ASN C 3 305 ? 32.684 -22.057 -82.992 1.00 54.12 ? 327 ASN C CA 1 ? ? +11038 ATOM C CB . ASN C 3 305 ? 32.994 -20.585 -83.127 1.00 54.52 ? 327 ASN C CB 1 ? ? +11039 ATOM C CG . ASN C 3 305 ? 32.939 -20.074 -84.526 1.00 55.33 ? 327 ASN C CG 1 ? ? +11040 ATOM O OD1 . ASN C 3 305 ? 32.438 -18.994 -84.785 1.00 55.65 ? 327 ASN C OD1 1 ? ? +11041 ATOM N ND2 . ASN C 3 305 ? 33.493 -20.784 -85.462 1.00 55.89 ? 327 ASN C ND2 1 ? ? +11042 ATOM C C . ASN C 3 305 ? 32.834 -22.500 -81.543 1.00 53.34 ? 327 ASN C C 1 ? ? +11043 ATOM O O . ASN C 3 305 ? 32.472 -21.786 -80.622 1.00 52.88 ? 327 ASN C O 1 ? ? +11044 ATOM N N . VAL C 3 306 ? 33.375 -23.695 -81.351 1.00 53.22 ? 328 VAL C N 1 ? ? +11045 ATOM C CA . VAL C 3 306 ? 33.429 -24.306 -80.039 1.00 52.59 ? 328 VAL C CA 1 ? ? +11046 ATOM C CB . VAL C 3 306 ? 33.755 -25.797 -80.206 1.00 52.62 ? 328 VAL C CB 1 ? ? +11047 ATOM C CG1 . VAL C 3 306 ? 32.639 -26.498 -80.960 1.00 52.62 ? 328 VAL C CG1 1 ? ? +11048 ATOM C CG2 . VAL C 3 306 ? 35.108 -26.025 -80.884 1.00 53.25 ? 328 VAL C CG2 1 ? ? +11049 ATOM C C . VAL C 3 306 ? 34.385 -23.612 -79.069 1.00 52.46 ? 328 VAL C C 1 ? ? +11050 ATOM O O . VAL C 3 306 ? 34.203 -23.698 -77.856 1.00 51.93 ? 328 VAL C O 1 ? ? +11051 ATOM N N . GLY C 3 307 ? 35.401 -22.923 -79.599 1.00 53.00 ? 329 GLY C N 1 ? ? +11052 ATOM C CA . GLY C 3 307 ? 36.354 -22.222 -78.754 1.00 52.94 ? 329 GLY C CA 1 ? ? +11053 ATOM C C . GLY C 3 307 ? 35.762 -21.029 -78.006 1.00 52.53 ? 329 GLY C C 1 ? ? +11054 ATOM O O . GLY C 3 307 ? 36.127 -20.760 -76.861 1.00 52.18 ? 329 GLY C O 1 ? ? +11055 ATOM N N . SER C 3 308 ? 34.835 -20.326 -78.667 1.00 52.61 ? 330 SER C N 1 ? ? +11056 ATOM C CA . SER C 3 308 ? 34.245 -19.115 -78.121 1.00 52.34 ? 330 SER C CA 1 ? ? +11057 ATOM C CB . SER C 3 308 ? 34.208 -18.017 -79.170 1.00 52.92 ? 330 SER C CB 1 ? ? +11058 ATOM O OG . SER C 3 308 ? 33.715 -18.518 -80.394 1.00 53.26 ? 330 SER C OG 1 ? ? +11059 ATOM C C . SER C 3 308 ? 32.838 -19.288 -77.569 1.00 51.68 ? 330 SER C C 1 ? ? +11060 ATOM O O . SER C 3 308 ? 32.281 -18.310 -77.105 1.00 51.46 ? 330 SER C O 1 ? ? +11061 ATOM N N . ALA C 3 309 ? 32.305 -20.516 -77.583 1.00 51.39 ? 331 ALA C N 1 ? ? +11062 ATOM C CA . ALA C 3 309 ? 30.949 -20.772 -77.118 1.00 50.84 ? 331 ALA C CA 1 ? ? +11063 ATOM C CB . ALA C 3 309 ? 30.435 -22.097 -77.636 1.00 50.80 ? 331 ALA C CB 1 ? ? +11064 ATOM C C . ALA C 3 309 ? 30.904 -20.756 -75.597 1.00 50.24 ? 331 ALA C C 1 ? ? +11065 ATOM O O . ALA C 3 309 ? 31.405 -21.665 -74.942 1.00 50.02 ? 331 ALA C O 1 ? ? +11066 ATOM N N . GLN C 3 310 ? 30.297 -19.699 -75.053 1.00 50.03 ? 332 GLN C N 1 ? ? +11067 ATOM C CA . GLN C 3 310 ? 30.108 -19.543 -73.622 1.00 49.44 ? 332 GLN C CA 1 ? ? +11068 ATOM C CB . GLN C 3 310 ? 29.874 -18.061 -73.319 1.00 49.45 ? 332 GLN C CB 1 ? ? +11069 ATOM C CG . GLN C 3 310 ? 29.415 -17.721 -71.917 1.00 48.88 ? 332 GLN C CG 1 ? ? +11070 ATOM C CD . GLN C 3 310 ? 28.924 -16.299 -71.843 1.00 48.94 ? 332 GLN C CD 1 ? ? +11071 ATOM O OE1 . GLN C 3 310 ? 28.823 -15.585 -72.854 1.00 49.40 ? 332 GLN C OE1 1 ? ? +11072 ATOM N NE2 . GLN C 3 310 ? 28.596 -15.853 -70.647 1.00 48.52 ? 332 GLN C NE2 1 ? ? +11073 ATOM C C . GLN C 3 310 ? 28.921 -20.393 -73.186 1.00 48.94 ? 332 GLN C C 1 ? ? +11074 ATOM O O . GLN C 3 310 ? 27.881 -20.330 -73.816 1.00 49.00 ? 332 GLN C O 1 ? ? +11075 ATOM N N A GLY C 3 311 ? 29.110 -21.176 -72.115 0.40 48.53 ? 333 GLY C N 1 ? ? +11076 ATOM N N B GLY C 3 311 ? 29.110 -21.179 -72.117 0.60 48.51 ? 333 GLY C N 1 ? ? +11077 ATOM C CA A GLY C 3 311 ? 28.069 -22.015 -71.549 0.40 48.07 ? 333 GLY C CA 1 ? ? +11078 ATOM C CA B GLY C 3 311 ? 28.075 -22.026 -71.557 0.60 48.05 ? 333 GLY C CA 1 ? ? +11079 ATOM C C A GLY C 3 311 ? 27.251 -21.282 -70.490 0.40 47.64 ? 333 GLY C C 1 ? ? +11080 ATOM C C B GLY C 3 311 ? 27.248 -21.307 -70.495 0.60 47.60 ? 333 GLY C C 1 ? ? +11081 ATOM O O A GLY C 3 311 ? 27.614 -20.180 -70.082 0.40 47.65 ? 333 GLY C O 1 ? ? +11082 ATOM O O B GLY C 3 311 ? 27.608 -20.206 -70.075 0.60 47.60 ? 333 GLY C O 1 ? ? +11083 ATOM N N A PRO C 3 312 ? 26.137 -21.887 -70.006 0.40 47.26 ? 334 PRO C N 1 ? ? +11084 ATOM N N B PRO C 3 312 ? 26.132 -21.920 -70.025 0.60 47.21 ? 334 PRO C N 1 ? ? +11085 ATOM C CA A PRO C 3 312 ? 25.230 -21.227 -69.062 0.40 46.84 ? 334 PRO C CA 1 ? ? +11086 ATOM C CA B PRO C 3 312 ? 25.222 -21.279 -69.071 0.60 46.77 ? 334 PRO C CA 1 ? ? +11087 ATOM C C A PRO C 3 312 ? 25.882 -20.672 -67.799 0.40 46.57 ? 334 PRO C C 1 ? ? +11088 ATOM C C B PRO C 3 312 ? 25.862 -20.708 -67.806 0.60 46.49 ? 334 PRO C C 1 ? ? +11089 ATOM O O A PRO C 3 312 ? 25.441 -19.656 -67.264 0.40 46.39 ? 334 PRO C O 1 ? ? +11090 ATOM O O B PRO C 3 312 ? 25.398 -19.698 -67.278 0.60 46.32 ? 334 PRO C O 1 ? ? +11091 ATOM C CB A PRO C 3 312 ? 24.248 -22.338 -68.698 0.40 46.52 ? 334 PRO C CB 1 ? ? +11092 ATOM C CB B PRO C 3 312 ? 24.267 -22.411 -68.704 0.60 46.46 ? 334 PRO C CB 1 ? ? +11093 ATOM C CG A PRO C 3 312 ? 24.312 -23.306 -69.839 0.40 46.85 ? 334 PRO C CG 1 ? ? +11094 ATOM C CG B PRO C 3 312 ? 24.324 -23.359 -69.858 0.60 46.80 ? 334 PRO C CG 1 ? ? +11095 ATOM C CD A PRO C 3 312 ? 25.712 -23.254 -70.344 0.40 47.21 ? 334 PRO C CD 1 ? ? +11096 ATOM C CD B PRO C 3 312 ? 25.711 -23.286 -70.381 0.60 47.16 ? 334 PRO C CD 1 ? ? +11097 ATOM N N A THR C 3 313 ? 26.932 -21.355 -67.327 0.40 46.56 ? 335 THR C N 1 ? ? +11098 ATOM N N B THR C 3 313 ? 26.928 -21.362 -67.329 0.60 46.46 ? 335 THR C N 1 ? ? +11099 ATOM C CA A THR C 3 313 ? 27.618 -20.966 -66.106 0.40 46.34 ? 335 THR C CA 1 ? ? +11100 ATOM C CA B THR C 3 313 ? 27.607 -20.946 -66.113 0.60 46.23 ? 335 THR C CA 1 ? ? +11101 ATOM C C A THR C 3 313 ? 28.580 -19.803 -66.328 0.40 46.65 ? 335 THR C C 1 ? ? +11102 ATOM C C B THR C 3 313 ? 28.574 -19.787 -66.341 0.60 46.52 ? 335 THR C C 1 ? ? +11103 ATOM O O A THR C 3 313 ? 29.029 -19.166 -65.378 0.40 46.48 ? 335 THR C O 1 ? ? +11104 ATOM O O B THR C 3 313 ? 29.006 -19.137 -65.392 0.60 46.34 ? 335 THR C O 1 ? ? +11105 ATOM C CB A THR C 3 313 ? 28.366 -22.162 -65.540 0.40 46.24 ? 335 THR C CB 1 ? ? +11106 ATOM C CB B THR C 3 313 ? 28.351 -22.129 -65.514 0.60 46.13 ? 335 THR C CB 1 ? ? +11107 ATOM O OG1 A THR C 3 313 ? 29.282 -22.637 -66.527 0.40 46.73 ? 335 THR C OG1 1 ? ? +11108 ATOM O OG1 B THR C 3 313 ? 29.337 -22.566 -66.444 0.60 46.63 ? 335 THR C OG1 1 ? ? +11109 ATOM C CG2 A THR C 3 313 ? 27.442 -23.277 -65.133 0.40 45.89 ? 335 THR C CG2 1 ? ? +11110 ATOM C CG2 B THR C 3 313 ? 27.439 -23.276 -65.180 0.60 45.82 ? 335 THR C CG2 1 ? ? +11111 ATOM N N A GLY C 3 314 ? 28.887 -19.532 -67.597 0.40 47.15 ? 336 GLY C N 1 ? ? +11112 ATOM N N B GLY C 3 314 ? 28.910 -19.538 -67.607 0.60 47.00 ? 336 GLY C N 1 ? ? +11113 ATOM C CA A GLY C 3 314 ? 29.913 -18.559 -67.932 0.40 47.61 ? 336 GLY C CA 1 ? ? +11114 ATOM C CA B GLY C 3 314 ? 29.940 -18.568 -67.943 0.60 47.44 ? 336 GLY C CA 1 ? ? +11115 ATOM C C A GLY C 3 314 ? 31.226 -19.222 -68.339 0.40 47.96 ? 336 GLY C C 1 ? ? +11116 ATOM C C B GLY C 3 314 ? 31.253 -19.230 -68.353 0.60 47.78 ? 336 GLY C C 1 ? ? +11117 ATOM O O A GLY C 3 314 ? 32.018 -18.628 -69.055 0.40 48.46 ? 336 GLY C O 1 ? ? +11118 ATOM O O B GLY C 3 314 ? 32.033 -18.635 -69.078 0.60 48.28 ? 336 GLY C O 1 ? ? +11119 ATOM N N A LEU C 3 315 ? 31.439 -20.450 -67.856 0.40 47.75 ? 337 LEU C N 1 ? ? +11120 ATOM N N B LEU C 3 315 ? 31.484 -20.451 -67.860 0.60 47.55 ? 337 LEU C N 1 ? ? +11121 ATOM C CA A LEU C 3 315 ? 32.498 -21.310 -68.345 0.40 48.10 ? 337 LEU C CA 1 ? ? +11122 ATOM C CA B LEU C 3 315 ? 32.529 -21.317 -68.370 0.60 47.90 ? 337 LEU C CA 1 ? ? +11123 ATOM C C A LEU C 3 315 ? 32.167 -21.746 -69.767 0.40 48.47 ? 337 LEU C C 1 ? ? +11124 ATOM C C B LEU C 3 315 ? 32.192 -21.749 -69.791 0.60 48.25 ? 337 LEU C C 1 ? ? +11125 ATOM O O A LEU C 3 315 ? 31.011 -21.739 -70.171 0.40 48.35 ? 337 LEU C O 1 ? ? +11126 ATOM O O B LEU C 3 315 ? 31.037 -21.760 -70.188 0.60 48.13 ? 337 LEU C O 1 ? ? +11127 ATOM C CB A LEU C 3 315 ? 32.654 -22.536 -67.452 0.40 47.79 ? 337 LEU C CB 1 ? ? +11128 ATOM C CB B LEU C 3 315 ? 32.688 -22.548 -67.483 0.60 47.57 ? 337 LEU C CB 1 ? ? +11129 ATOM C CG A LEU C 3 315 ? 33.252 -22.287 -66.076 0.40 47.57 ? 337 LEU C CG 1 ? ? +11130 ATOM C CG B LEU C 3 315 ? 33.300 -22.298 -66.111 0.60 47.37 ? 337 LEU C CG 1 ? ? +11131 ATOM C CD1 A LEU C 3 315 ? 33.125 -23.509 -65.203 0.40 47.22 ? 337 LEU C CD1 1 ? ? +11132 ATOM C CD1 B LEU C 3 315 ? 33.170 -23.510 -65.228 0.60 47.03 ? 337 LEU C CD1 1 ? ? +11133 ATOM C CD2 A LEU C 3 315 ? 34.715 -21.884 -66.167 0.40 48.01 ? 337 LEU C CD2 1 ? ? +11134 ATOM C CD2 B LEU C 3 315 ? 34.769 -21.915 -66.212 0.60 47.81 ? 337 LEU C CD2 1 ? ? +11135 ATOM N N A GLY C 3 316 ? 33.198 -22.105 -70.530 0.40 48.99 ? 338 GLY C N 1 ? ? +11136 ATOM N N B GLY C 3 316 ? 33.224 -22.081 -70.564 0.60 48.77 ? 338 GLY C N 1 ? ? +11137 ATOM C CA A GLY C 3 316 ? 33.005 -22.522 -71.906 0.40 49.39 ? 338 GLY C CA 1 ? ? +11138 ATOM C CA B GLY C 3 316 ? 33.030 -22.520 -71.932 0.60 49.15 ? 338 GLY C CA 1 ? ? +11139 ATOM C C A GLY C 3 316 ? 32.138 -23.770 -71.949 0.40 49.09 ? 338 GLY C C 1 ? ? +11140 ATOM C C B GLY C 3 316 ? 32.157 -23.765 -71.957 0.60 48.84 ? 338 GLY C C 1 ? ? +11141 ATOM O O A GLY C 3 316 ? 32.232 -24.614 -71.064 0.40 48.78 ? 338 GLY C O 1 ? ? +11142 ATOM O O B GLY C 3 316 ? 32.258 -24.603 -71.067 0.60 48.51 ? 338 GLY C O 1 ? ? +11143 ATOM N N A LYS C 3 317 ? 31.291 -23.861 -72.977 0.40 49.24 ? 339 LYS C N 1 ? ? +11144 ATOM N N B LYS C 3 317 ? 31.292 -23.854 -72.972 0.60 48.97 ? 339 LYS C N 1 ? ? +11145 ATOM C CA A LYS C 3 317 ? 30.408 -25.001 -73.137 0.40 49.02 ? 339 LYS C CA 1 ? ? +11146 ATOM C CA B LYS C 3 317 ? 30.408 -24.995 -73.129 0.60 48.74 ? 339 LYS C CA 1 ? ? +11147 ATOM C C A LYS C 3 317 ? 31.200 -26.251 -73.512 0.40 49.25 ? 339 LYS C C 1 ? ? +11148 ATOM C C B LYS C 3 317 ? 31.193 -26.252 -73.496 0.60 48.96 ? 339 LYS C C 1 ? ? +11149 ATOM O O A LYS C 3 317 ? 30.916 -27.342 -73.031 0.40 48.96 ? 339 LYS C O 1 ? ? +11150 ATOM O O B LYS C 3 317 ? 30.928 -27.330 -72.976 0.60 48.64 ? 339 LYS C O 1 ? ? +11151 ATOM C CB A LYS C 3 317 ? 29.351 -24.696 -74.197 0.40 49.23 ? 339 LYS C CB 1 ? ? +11152 ATOM C CB B LYS C 3 317 ? 29.360 -24.692 -74.193 0.60 48.93 ? 339 LYS C CB 1 ? ? +11153 ATOM C CG A LYS C 3 317 ? 28.168 -25.669 -74.176 0.40 48.95 ? 339 LYS C CG 1 ? ? +11154 ATOM C CG B LYS C 3 317 ? 28.148 -25.642 -74.143 0.60 48.63 ? 339 LYS C CG 1 ? ? +11155 ATOM C CD A LYS C 3 317 ? 27.103 -25.301 -75.190 0.40 49.15 ? 339 LYS C CD 1 ? ? +11156 ATOM C CD B LYS C 3 317 ? 27.093 -25.301 -75.187 0.60 48.85 ? 339 LYS C CD 1 ? ? +11157 ATOM C CE A LYS C 3 317 ? 26.485 -23.963 -74.901 0.40 49.02 ? 339 LYS C CE 1 ? ? +11158 ATOM C CE B LYS C 3 317 ? 26.466 -23.952 -74.963 0.60 48.73 ? 339 LYS C CE 1 ? ? +11159 ATOM N NZ A LYS C 3 317 ? 25.665 -23.498 -76.040 0.40 49.38 ? 339 LYS C NZ 1 ? ? +11160 ATOM N NZ B LYS C 3 317 ? 25.656 -23.550 -76.126 0.60 49.10 ? 339 LYS C NZ 1 ? ? +11161 ATOM N N A TYR C 3 318 ? 32.215 -26.073 -74.360 0.40 49.81 ? 340 TYR C N 1 ? ? +11162 ATOM N N B TYR C 3 318 ? 32.175 -26.091 -74.389 0.60 49.53 ? 340 TYR C N 1 ? ? +11163 ATOM C CA A TYR C 3 318 ? 32.996 -27.188 -74.866 0.40 50.13 ? 340 TYR C CA 1 ? ? +11164 ATOM C CA B TYR C 3 318 ? 32.972 -27.200 -74.889 0.60 49.86 ? 340 TYR C CA 1 ? ? +11165 ATOM C C A TYR C 3 318 ? 34.411 -27.186 -74.289 0.40 50.26 ? 340 TYR C C 1 ? ? +11166 ATOM C C B TYR C 3 318 ? 34.393 -27.210 -74.329 0.60 50.00 ? 340 TYR C C 1 ? ? +11167 ATOM O O A TYR C 3 318 ? 34.936 -28.230 -73.916 0.40 50.19 ? 340 TYR C O 1 ? ? +11168 ATOM O O B TYR C 3 318 ? 34.920 -28.268 -74.009 0.60 49.95 ? 340 TYR C O 1 ? ? +11169 ATOM C CB A TYR C 3 318 ? 33.054 -27.127 -76.400 0.40 50.74 ? 340 TYR C CB 1 ? ? +11170 ATOM C CB B TYR C 3 318 ? 33.038 -27.148 -76.421 0.60 50.47 ? 340 TYR C CB 1 ? ? +11171 ATOM C CG A TYR C 3 318 ? 31.701 -27.005 -77.070 0.40 50.70 ? 340 TYR C CG 1 ? ? +11172 ATOM C CG B TYR C 3 318 ? 31.684 -27.016 -77.083 0.60 50.42 ? 340 TYR C CG 1 ? ? +11173 ATOM C CD2 A TYR C 3 318 ? 31.195 -25.769 -77.440 0.40 50.79 ? 340 TYR C CD2 1 ? ? +11174 ATOM C CD2 B TYR C 3 318 ? 30.895 -28.129 -77.325 0.60 50.30 ? 340 TYR C CD2 1 ? ? +11175 ATOM C CD1 A TYR C 3 318 ? 30.921 -28.124 -77.314 0.40 50.57 ? 340 TYR C CD1 1 ? ? +11176 ATOM C CD1 B TYR C 3 318 ? 31.198 -25.779 -77.468 0.60 50.52 ? 340 TYR C CD1 1 ? ? +11177 ATOM C CE2 A TYR C 3 318 ? 29.957 -25.651 -78.053 0.40 50.79 ? 340 TYR C CE2 1 ? ? +11178 ATOM C CE2 B TYR C 3 318 ? 29.649 -28.012 -77.929 0.60 50.30 ? 340 TYR C CE2 1 ? ? +11179 ATOM C CE1 A TYR C 3 318 ? 29.680 -28.019 -77.931 0.40 50.57 ? 340 TYR C CE1 1 ? ? +11180 ATOM C CE1 B TYR C 3 318 ? 29.956 -25.649 -78.073 0.60 50.52 ? 340 TYR C CE1 1 ? ? +11181 ATOM C CZ A TYR C 3 318 ? 29.197 -26.779 -78.294 0.40 50.68 ? 340 TYR C CZ 1 ? ? +11182 ATOM C CZ B TYR C 3 318 ? 29.179 -26.769 -78.298 0.60 50.41 ? 340 TYR C CZ 1 ? ? +11183 ATOM O OH A TYR C 3 318 ? 27.966 -26.673 -78.897 0.40 50.70 ? 340 TYR C OH 1 ? ? +11184 ATOM O OH B TYR C 3 318 ? 27.948 -26.661 -78.900 0.60 50.42 ? 340 TYR C OH 1 ? ? +11185 ATOM N N A LEU C 3 319 ? 35.015 -25.997 -74.216 0.40 50.45 ? 341 LEU C N 1 ? ? +11186 ATOM N N B LEU C 3 319 ? 35.002 -26.026 -74.226 0.60 50.19 ? 341 LEU C N 1 ? ? +11187 ATOM C CA A LEU C 3 319 ? 36.395 -25.852 -73.782 0.40 50.69 ? 341 LEU C CA 1 ? ? +11188 ATOM C CA B LEU C 3 319 ? 36.384 -25.893 -73.791 0.60 50.42 ? 341 LEU C CA 1 ? ? +11189 ATOM C C A LEU C 3 319 ? 36.528 -24.846 -72.642 0.40 50.36 ? 341 LEU C C 1 ? ? +11190 ATOM C C B LEU C 3 319 ? 36.526 -24.881 -72.658 0.60 50.10 ? 341 LEU C C 1 ? ? +11191 ATOM O O A LEU C 3 319 ? 35.835 -23.831 -72.611 0.40 50.22 ? 341 LEU C O 1 ? ? +11192 ATOM O O B LEU C 3 319 ? 35.864 -23.844 -72.656 0.60 50.00 ? 341 LEU C O 1 ? ? +11193 ATOM C CB A LEU C 3 319 ? 37.252 -25.390 -74.959 0.40 51.42 ? 341 LEU C CB 1 ? ? +11194 ATOM C CB B LEU C 3 319 ? 37.244 -25.440 -74.967 0.60 51.16 ? 341 LEU C CB 1 ? ? +11195 ATOM C CG A LEU C 3 319 ? 37.357 -26.366 -76.111 0.40 51.83 ? 341 LEU C CG 1 ? ? +11196 ATOM C CG B LEU C 3 319 ? 37.297 -26.381 -76.151 0.60 51.58 ? 341 LEU C CG 1 ? ? +11197 ATOM C CD1 A LEU C 3 319 ? 38.043 -25.741 -77.292 0.40 52.55 ? 341 LEU C CD1 1 ? ? +11198 ATOM C CD1 B LEU C 3 319 ? 38.030 -25.755 -77.302 0.60 52.30 ? 341 LEU C CD1 1 ? ? +11199 ATOM C CD2 A LEU C 3 319 ? 38.109 -27.615 -75.706 0.40 51.86 ? 341 LEU C CD2 1 ? ? +11200 ATOM C CD2 B LEU C 3 319 ? 37.973 -27.705 -75.791 0.60 51.59 ? 341 LEU C CD2 1 ? ? +11201 ATOM N N A MET C 3 320 ? 37.433 -25.148 -71.707 0.40 50.25 ? 342 MET C N 1 ? ? +11202 ATOM N N B MET C 3 320 ? 37.400 -25.199 -71.699 0.60 49.99 ? 342 MET C N 1 ? ? +11203 ATOM C CA A MET C 3 320 ? 37.744 -24.255 -70.605 0.40 50.02 ? 342 MET C CA 1 ? ? +11204 ATOM C CA B MET C 3 320 ? 37.725 -24.297 -70.606 0.60 49.76 ? 342 MET C CA 1 ? ? +11205 ATOM C C A MET C 3 320 ? 39.199 -24.468 -70.195 0.40 50.32 ? 342 MET C C 1 ? ? +11206 ATOM C C B MET C 3 320 ? 39.186 -24.498 -70.202 0.60 50.07 ? 342 MET C C 1 ? ? +11207 ATOM O O A MET C 3 320 ? 39.924 -25.222 -70.840 0.40 50.70 ? 342 MET C O 1 ? ? +11208 ATOM O O B MET C 3 320 ? 39.910 -25.267 -70.832 0.60 50.44 ? 342 MET C O 1 ? ? +11209 ATOM C CB A MET C 3 320 ? 36.820 -24.528 -69.411 0.40 49.31 ? 342 MET C CB 1 ? ? +11210 ATOM C CB B MET C 3 320 ? 36.783 -24.544 -69.409 0.60 49.05 ? 342 MET C CB 1 ? ? +11211 ATOM C CG A MET C 3 320 ? 36.759 -25.980 -69.048 0.40 49.10 ? 342 MET C CG 1 ? ? +11212 ATOM C CG B MET C 3 320 ? 36.715 -25.988 -68.988 0.60 48.82 ? 342 MET C CG 1 ? ? +11213 ATOM S SD A MET C 3 320 ? 35.705 -26.347 -67.635 0.40 48.33 ? 342 MET C SD 1 ? ? +11214 ATOM S SD B MET C 3 320 ? 35.668 -26.309 -67.559 0.60 48.05 ? 342 MET C SD 1 ? ? +11215 ATOM C CE A MET C 3 320 ? 36.438 -25.347 -66.383 0.40 48.22 ? 342 MET C CE 1 ? ? +11216 ATOM C CE B MET C 3 320 ? 36.485 -25.409 -66.289 0.60 47.97 ? 342 MET C CE 1 ? ? +11217 ATOM N N A ARG C 3 321 ? 39.603 -23.815 -69.101 0.40 50.14 ? 343 ARG C N 1 ? ? +11218 ATOM N N B ARG C 3 321 ? 39.606 -23.803 -69.140 0.60 49.93 ? 343 ARG C N 1 ? ? +11219 ATOM C CA A ARG C 3 321 ? 40.942 -23.986 -68.566 0.40 50.44 ? 343 ARG C CA 1 ? ? +11220 ATOM C CA B ARG C 3 321 ? 40.937 -23.983 -68.587 0.60 50.24 ? 343 ARG C CA 1 ? ? +11221 ATOM C C A ARG C 3 321 ? 40.935 -24.831 -67.295 0.40 49.97 ? 343 ARG C C 1 ? ? +11222 ATOM C C B ARG C 3 321 ? 40.909 -24.842 -67.325 0.60 49.77 ? 343 ARG C C 1 ? ? +11223 ATOM O O A ARG C 3 321 ? 40.011 -24.759 -66.490 0.40 49.40 ? 343 ARG C O 1 ? ? +11224 ATOM O O B ARG C 3 321 ? 39.955 -24.800 -66.552 0.60 49.20 ? 343 ARG C O 1 ? ? +11225 ATOM C CB A ARG C 3 321 ? 41.596 -22.624 -68.296 0.40 50.71 ? 343 ARG C CB 1 ? ? +11226 ATOM C CB B ARG C 3 321 ? 41.593 -22.623 -68.299 0.60 50.50 ? 343 ARG C CB 1 ? ? +11227 ATOM C CG A ARG C 3 321 ? 41.875 -21.847 -69.565 0.40 51.30 ? 343 ARG C CG 1 ? ? +11228 ATOM C CG B ARG C 3 321 ? 41.912 -21.838 -69.565 0.60 51.11 ? 343 ARG C CG 1 ? ? +11229 ATOM C CD A ARG C 3 321 ? 42.698 -20.613 -69.309 0.40 51.68 ? 343 ARG C CD 1 ? ? +11230 ATOM C CD B ARG C 3 321 ? 42.690 -20.589 -69.290 0.60 51.46 ? 343 ARG C CD 1 ? ? +11231 ATOM N NE A ARG C 3 321 ? 42.976 -19.884 -70.540 0.40 52.28 ? 343 ARG C NE 1 ? ? +11232 ATOM N NE B ARG C 3 321 ? 42.971 -19.853 -70.518 0.60 52.07 ? 343 ARG C NE 1 ? ? +11233 ATOM C CZ A ARG C 3 321 ? 44.117 -19.954 -71.209 0.40 52.96 ? 343 ARG C CZ 1 ? ? +11234 ATOM C CZ B ARG C 3 321 ? 44.080 -19.973 -71.235 0.60 52.74 ? 343 ARG C CZ 1 ? ? +11235 ATOM N NH1 A ARG C 3 321 ? 45.070 -20.803 -70.864 0.40 53.14 ? 343 ARG C NH1 1 ? ? +11236 ATOM N NH1 B ARG C 3 321 ? 45.013 -20.857 -70.926 0.60 52.92 ? 343 ARG C NH1 1 ? ? +11237 ATOM N NH2 A ARG C 3 321 ? 44.299 -19.159 -72.258 0.40 53.51 ? 343 ARG C NH2 1 ? ? +11238 ATOM N NH2 B ARG C 3 321 ? 44.245 -19.198 -72.302 0.60 53.27 ? 343 ARG C NH2 1 ? ? +11239 ATOM N N A SER C 3 322 ? 41.978 -25.652 -67.137 0.40 50.27 ? 344 SER C N 1 ? ? +11240 ATOM N N B SER C 3 322 ? 41.971 -25.637 -67.139 0.60 50.10 ? 344 SER C N 1 ? ? +11241 ATOM C CA A SER C 3 322 ? 42.200 -26.346 -65.883 0.40 49.94 ? 344 SER C CA 1 ? ? +11242 ATOM C CA B SER C 3 322 ? 42.194 -26.324 -65.880 0.60 49.79 ? 344 SER C CA 1 ? ? +11243 ATOM C C A SER C 3 322 ? 42.727 -25.302 -64.911 0.40 49.90 ? 344 SER C C 1 ? ? +11244 ATOM C C B SER C 3 322 ? 42.721 -25.287 -64.899 0.60 49.76 ? 344 SER C C 1 ? ? +11245 ATOM O O A SER C 3 322 ? 43.052 -24.193 -65.322 0.40 50.19 ? 344 SER C O 1 ? ? +11246 ATOM O O B SER C 3 322 ? 43.053 -24.178 -65.305 0.60 50.05 ? 344 SER C O 1 ? ? +11247 ATOM C CB A SER C 3 322 ? 43.180 -27.493 -66.034 0.40 50.33 ? 344 SER C CB 1 ? ? +11248 ATOM C CB B SER C 3 322 ? 43.168 -27.475 -66.027 0.60 50.18 ? 344 SER C CB 1 ? ? +11249 ATOM O OG A SER C 3 322 ? 44.503 -26.992 -65.998 0.40 50.90 ? 344 SER C OG 1 ? ? +11250 ATOM O OG B SER C 3 322 ? 44.499 -26.995 -65.994 0.60 50.76 ? 344 SER C OG 1 ? ? +11251 ATOM N N A PRO C 3 323 ? 42.804 -25.604 -63.598 0.40 49.56 ? 345 PRO C N 1 ? ? +11252 ATOM N N B PRO C 3 323 ? 42.797 -25.593 -63.586 0.60 49.45 ? 345 PRO C N 1 ? ? +11253 ATOM C CA A PRO C 3 323 ? 43.290 -24.627 -62.622 0.40 49.56 ? 345 PRO C CA 1 ? ? +11254 ATOM C CA B PRO C 3 323 ? 43.291 -24.620 -62.611 0.60 49.49 ? 345 PRO C CA 1 ? ? +11255 ATOM C C A PRO C 3 323 ? 44.731 -24.163 -62.862 0.40 50.27 ? 345 PRO C C 1 ? ? +11256 ATOM C C B PRO C 3 323 ? 44.733 -24.162 -62.860 0.60 50.23 ? 345 PRO C C 1 ? ? +11257 ATOM O O A PRO C 3 323 ? 45.122 -23.113 -62.359 0.40 50.39 ? 345 PRO C O 1 ? ? +11258 ATOM O O B PRO C 3 323 ? 45.126 -23.108 -62.366 0.60 50.36 ? 345 PRO C O 1 ? ? +11259 ATOM C CB A PRO C 3 323 ? 43.122 -25.367 -61.288 0.40 49.14 ? 345 PRO C CB 1 ? ? +11260 ATOM C CB B PRO C 3 323 ? 43.123 -25.360 -61.276 0.60 49.04 ? 345 PRO C CB 1 ? ? +11261 ATOM C CG A PRO C 3 323 ? 42.098 -26.468 -61.575 0.40 48.74 ? 345 PRO C CG 1 ? ? +11262 ATOM C CG B PRO C 3 323 ? 42.097 -26.451 -61.559 0.60 48.65 ? 345 PRO C CG 1 ? ? +11263 ATOM C CD A PRO C 3 323 ? 42.380 -26.872 -62.984 0.40 49.18 ? 345 PRO C CD 1 ? ? +11264 ATOM C CD B PRO C 3 323 ? 42.375 -26.860 -62.964 0.60 49.08 ? 345 PRO C CD 1 ? ? +11265 ATOM N N . THR C 3 324 ? 45.506 -24.932 -63.641 1.00 50.75 ? 346 THR C N 1 ? ? +11266 ATOM C CA . THR C 3 324 ? 46.840 -24.514 -64.059 1.00 51.56 ? 346 THR C CA 1 ? ? +11267 ATOM C CB . THR C 3 324 ? 47.863 -25.641 -63.842 1.00 51.96 ? 346 THR C CB 1 ? ? +11268 ATOM O OG1 . THR C 3 324 ? 47.366 -26.856 -64.431 1.00 51.88 ? 346 THR C OG1 1 ? ? +11269 ATOM C CG2 . THR C 3 324 ? 48.162 -25.850 -62.363 1.00 51.72 ? 346 THR C CG2 1 ? ? +11270 ATOM C C . THR C 3 324 ? 46.897 -23.997 -65.496 1.00 52.03 ? 346 THR C C 1 ? ? +11271 ATOM O O . THR C 3 324 ? 47.981 -23.729 -66.015 1.00 52.70 ? 346 THR C O 1 ? ? +11272 ATOM N N . GLY C 3 325 ? 45.723 -23.837 -66.123 1.00 51.70 ? 347 GLY C N 1 ? ? +11273 ATOM C CA . GLY C 3 325 ? 45.603 -23.081 -67.358 1.00 52.09 ? 347 GLY C CA 1 ? ? +11274 ATOM C C . GLY C 3 325 ? 45.523 -23.873 -68.658 1.00 52.45 ? 347 GLY C C 1 ? ? +11275 ATOM O O . GLY C 3 325 ? 45.292 -23.283 -69.709 1.00 52.70 ? 347 GLY C O 1 ? ? +11276 ATOM N N . GLU C 3 326 ? 45.724 -25.195 -68.595 1.00 52.51 ? 348 GLU C N 1 ? ? +11277 ATOM C CA . GLU C 3 326 ? 45.632 -26.029 -69.783 1.00 52.90 ? 348 GLU C CA 1 ? ? +11278 ATOM C CB . GLU C 3 326 ? 46.011 -27.484 -69.480 1.00 52.97 ? 348 GLU C CB 1 ? ? +11279 ATOM C CG . GLU C 3 326 ? 47.454 -27.699 -69.067 1.00 53.55 ? 348 GLU C CG 1 ? ? +11280 ATOM C CD . GLU C 3 326 ? 47.778 -27.343 -67.634 1.00 53.36 ? 348 GLU C CD 1 ? ? +11281 ATOM O OE1 . GLU C 3 326 ? 46.837 -27.016 -66.869 1.00 52.62 ? 348 GLU C OE1 1 ? ? +11282 ATOM O OE2 . GLU C 3 326 ? 48.987 -27.358 -67.290 1.00 53.92 ? 348 GLU C OE2 1 ? ? +11283 ATOM C C . GLU C 3 326 ? 44.208 -26.001 -70.345 1.00 52.55 ? 348 GLU C C 1 ? ? +11284 ATOM O O . GLU C 3 326 ? 43.237 -25.987 -69.584 1.00 51.76 ? 348 GLU C O 1 ? ? +11285 ATOM N N . ILE C 3 327 ? 44.103 -26.006 -71.684 1.00 53.05 ? 349 ILE C N 1 ? ? +11286 ATOM C CA . ILE C 3 327 ? 42.809 -26.059 -72.342 1.00 52.83 ? 349 ILE C CA 1 ? ? +11287 ATOM C CB . ILE C 3 327 ? 42.833 -25.473 -73.770 1.00 53.53 ? 349 ILE C CB 1 ? ? +11288 ATOM C CG1 . ILE C 3 327 ? 43.031 -23.931 -73.726 1.00 53.80 ? 349 ILE C CG1 1 ? ? +11289 ATOM C CG2 . ILE C 3 327 ? 41.517 -25.759 -74.528 1.00 53.32 ? 349 ILE C CG2 1 ? ? +11290 ATOM C CD1 . ILE C 3 327 ? 44.280 -23.475 -73.212 1.00 54.23 ? 349 ILE C CD1 1 ? ? +11291 ATOM C C . ILE C 3 327 ? 42.286 -27.495 -72.269 1.00 52.44 ? 349 ILE C C 1 ? ? +11292 ATOM O O . ILE C 3 327 ? 42.950 -28.428 -72.695 1.00 52.80 ? 349 ILE C O 1 ? ? +11293 ATOM N N A ILE C 3 328 ? 41.084 -27.645 -71.705 0.40 51.84 ? 350 ILE C N 1 ? ? +11294 ATOM N N B ILE C 3 328 ? 41.083 -27.643 -71.709 0.60 51.75 ? 350 ILE C N 1 ? ? +11295 ATOM C CA A ILE C 3 328 ? 40.476 -28.941 -71.456 0.40 51.49 ? 350 ILE C CA 1 ? ? +11296 ATOM C CA B ILE C 3 328 ? 40.471 -28.936 -71.454 0.60 51.33 ? 350 ILE C CA 1 ? ? +11297 ATOM C C A ILE C 3 328 ? 39.011 -28.939 -71.877 0.40 51.16 ? 350 ILE C C 1 ? ? +11298 ATOM C C B ILE C 3 328 ? 39.005 -28.923 -71.875 0.60 50.94 ? 350 ILE C C 1 ? ? +11299 ATOM O O A ILE C 3 328 ? 38.425 -27.891 -72.131 0.40 51.09 ? 350 ILE C O 1 ? ? +11300 ATOM O O B ILE C 3 328 ? 38.425 -27.866 -72.105 0.60 50.87 ? 350 ILE C O 1 ? ? +11301 ATOM C CB A ILE C 3 328 ? 40.579 -29.292 -69.964 0.40 51.03 ? 350 ILE C CB 1 ? ? +11302 ATOM C CB B ILE C 3 328 ? 40.573 -29.286 -69.960 0.60 50.84 ? 350 ILE C CB 1 ? ? +11303 ATOM C CG1 A ILE C 3 328 ? 39.719 -28.331 -69.128 0.40 50.47 ? 350 ILE C CG1 1 ? ? +11304 ATOM C CG1 B ILE C 3 328 ? 39.727 -28.321 -69.107 0.60 50.27 ? 350 ILE C CG1 1 ? ? +11305 ATOM C CG2 A ILE C 3 328 ? 42.035 -29.316 -69.499 0.40 51.43 ? 350 ILE C CG2 1 ? ? +11306 ATOM C CG2 B ILE C 3 328 ? 42.034 -29.316 -69.506 0.60 51.25 ? 350 ILE C CG2 1 ? ? +11307 ATOM C CD1 A ILE C 3 328 ? 39.662 -28.648 -67.689 0.40 50.00 ? 350 ILE C CD1 1 ? ? +11308 ATOM C CD1 B ILE C 3 328 ? 39.612 -28.687 -67.690 0.60 49.78 ? 350 ILE C CD1 1 ? ? +11309 ATOM N N A PHE C 3 329 ? 38.419 -30.132 -71.924 0.40 50.98 ? 351 PHE C N 1 ? ? +11310 ATOM N N B PHE C 3 329 ? 38.405 -30.112 -71.930 0.60 50.71 ? 351 PHE C N 1 ? ? +11311 ATOM C CA A PHE C 3 329 ? 36.998 -30.259 -72.185 0.40 50.63 ? 351 PHE C CA 1 ? ? +11312 ATOM C CA B PHE C 3 329 ? 36.980 -30.235 -72.183 0.60 50.30 ? 351 PHE C CA 1 ? ? +11313 ATOM C C A PHE C 3 329 ? 36.192 -29.667 -71.039 0.40 50.12 ? 351 PHE C C 1 ? ? +11314 ATOM C C B PHE C 3 329 ? 36.173 -29.676 -71.022 0.60 49.75 ? 351 PHE C C 1 ? ? +11315 ATOM O O A PHE C 3 329 ? 36.554 -29.816 -69.877 0.40 49.84 ? 351 PHE C O 1 ? ? +11316 ATOM O O B PHE C 3 329 ? 36.557 -29.830 -69.869 0.60 49.47 ? 351 PHE C O 1 ? ? +11317 ATOM C CB A PHE C 3 329 ? 36.607 -31.712 -72.396 0.40 50.51 ? 351 PHE C CB 1 ? ? +11318 ATOM C CB B PHE C 3 329 ? 36.577 -31.684 -72.417 0.60 50.16 ? 351 PHE C CB 1 ? ? +11319 ATOM C CG A PHE C 3 329 ? 37.030 -32.231 -73.738 0.40 51.02 ? 351 PHE C CG 1 ? ? +11320 ATOM C CG B PHE C 3 329 ? 37.026 -32.227 -73.742 0.60 50.67 ? 351 PHE C CG 1 ? ? +11321 ATOM C CD1 A PHE C 3 329 ? 36.813 -31.491 -74.880 0.40 51.33 ? 351 PHE C CD1 1 ? ? +11322 ATOM C CD1 B PHE C 3 329 ? 36.812 -31.516 -74.908 0.60 50.99 ? 351 PHE C CD1 1 ? ? +11323 ATOM C CD2 A PHE C 3 329 ? 37.631 -33.465 -73.861 0.40 51.22 ? 351 PHE C CD2 1 ? ? +11324 ATOM C CD2 B PHE C 3 329 ? 37.639 -33.458 -73.829 0.60 50.86 ? 351 PHE C CD2 1 ? ? +11325 ATOM C CE1 A PHE C 3 329 ? 37.195 -31.974 -76.116 0.40 51.87 ? 351 PHE C CE1 1 ? ? +11326 ATOM C CE1 B PHE C 3 329 ? 37.215 -32.025 -76.128 0.60 51.53 ? 351 PHE C CE1 1 ? ? +11327 ATOM C CE2 A PHE C 3 329 ? 38.010 -33.945 -75.098 0.40 51.75 ? 351 PHE C CE2 1 ? ? +11328 ATOM C CE2 B PHE C 3 329 ? 38.037 -33.964 -75.050 0.60 51.39 ? 351 PHE C CE2 1 ? ? +11329 ATOM C CZ A PHE C 3 329 ? 37.791 -33.196 -76.218 0.40 52.08 ? 351 PHE C CZ 1 ? ? +11330 ATOM C CZ B PHE C 3 329 ? 37.828 -33.244 -76.190 0.60 51.74 ? 351 PHE C CZ 1 ? ? +11331 ATOM N N A GLY C 3 330 ? 35.096 -28.997 -71.400 0.40 50.11 ? 352 GLY C N 1 ? ? +11332 ATOM N N B GLY C 3 330 ? 35.050 -29.038 -71.364 0.60 49.69 ? 352 GLY C N 1 ? ? +11333 ATOM C CA A GLY C 3 330 ? 34.210 -28.367 -70.436 0.40 49.66 ? 352 GLY C CA 1 ? ? +11334 ATOM C CA B GLY C 3 330 ? 34.168 -28.413 -70.392 0.60 49.20 ? 352 GLY C CA 1 ? ? +11335 ATOM C C A GLY C 3 330 ? 33.038 -29.267 -70.062 0.40 49.34 ? 352 GLY C C 1 ? ? +11336 ATOM C C B GLY C 3 330 ? 33.000 -29.314 -70.010 0.60 48.85 ? 352 GLY C C 1 ? ? +11337 ATOM O O A GLY C 3 330 ? 32.906 -30.371 -70.579 0.40 49.49 ? 352 GLY C O 1 ? ? +11338 ATOM O O B GLY C 3 330 ? 32.880 -30.429 -70.506 0.60 49.00 ? 352 GLY C O 1 ? ? +11339 ATOM N N A GLY C 3 331 ? 32.186 -28.764 -69.166 0.40 49.01 ? 353 GLY C N 1 ? ? +11340 ATOM N N B GLY C 3 331 ? 32.134 -28.796 -69.135 0.60 48.49 ? 353 GLY C N 1 ? ? +11341 ATOM C CA A GLY C 3 331 ? 31.163 -29.579 -68.541 0.40 48.70 ? 353 GLY C CA 1 ? ? +11342 ATOM C CA B GLY C 3 331 ? 31.117 -29.597 -68.481 0.60 48.15 ? 353 GLY C CA 1 ? ? +11343 ATOM C C A GLY C 3 331 ? 31.704 -30.314 -67.319 0.40 48.59 ? 353 GLY C C 1 ? ? +11344 ATOM C C B GLY C 3 331 ? 31.670 -30.301 -67.245 0.60 48.01 ? 353 GLY C C 1 ? ? +11345 ATOM O O A GLY C 3 331 ? 32.822 -30.056 -66.873 0.40 48.73 ? 353 GLY C O 1 ? ? +11346 ATOM O O B GLY C 3 331 ? 32.765 -29.985 -66.780 0.60 48.13 ? 353 GLY C O 1 ? ? +11347 ATOM N N A GLU C 3 332 ? 30.904 -31.252 -66.802 0.40 48.43 ? 354 GLU C N 1 ? ? +11348 ATOM N N B GLU C 3 332 ? 30.910 -31.282 -66.743 0.60 47.82 ? 354 GLU C N 1 ? ? +11349 ATOM C CA A GLU C 3 332 ? 31.229 -31.937 -65.565 0.40 48.27 ? 354 GLU C CA 1 ? ? +11350 ATOM C CA B GLU C 3 332 ? 31.273 -31.996 -65.531 0.60 47.65 ? 354 GLU C CA 1 ? ? +11351 ATOM C C A GLU C 3 332 ? 32.525 -32.731 -65.726 0.40 48.38 ? 354 GLU C C 1 ? ? +11352 ATOM C C B GLU C 3 332 ? 32.594 -32.745 -65.717 0.60 47.79 ? 354 GLU C C 1 ? ? +11353 ATOM O O A GLU C 3 332 ? 33.136 -33.117 -64.733 0.40 48.28 ? 354 GLU C O 1 ? ? +11354 ATOM O O B GLU C 3 332 ? 33.304 -32.977 -64.742 0.60 47.68 ? 354 GLU C O 1 ? ? +11355 ATOM C CB A GLU C 3 332 ? 30.048 -32.832 -65.118 0.40 48.27 ? 354 GLU C CB 1 ? ? +11356 ATOM C CB B GLU C 3 332 ? 30.124 -32.935 -65.085 0.60 47.64 ? 354 GLU C CB 1 ? ? +11357 ATOM C CG A GLU C 3 332 ? 29.962 -33.005 -63.609 0.40 48.20 ? 354 GLU C CG 1 ? ? +11358 ATOM C CG B GLU C 3 332 ? 29.982 -33.039 -63.574 0.60 47.54 ? 354 GLU C CG 1 ? ? +11359 ATOM C CD A GLU C 3 332 ? 28.781 -33.785 -63.047 0.40 48.23 ? 354 GLU C CD 1 ? ? +11360 ATOM C CD B GLU C 3 332 ? 28.786 -33.797 -63.013 0.60 47.56 ? 354 GLU C CD 1 ? ? +11361 ATOM O OE1 A GLU C 3 332 ? 28.438 -34.864 -63.588 0.40 48.76 ? 354 GLU C OE1 1 ? ? +11362 ATOM O OE1 B GLU C 3 332 ? 28.395 -34.840 -63.592 0.60 48.04 ? 354 GLU C OE1 1 ? ? +11363 ATOM O OE2 A GLU C 3 332 ? 28.247 -33.351 -61.999 0.40 48.39 ? 354 GLU C OE2 1 ? ? +11364 ATOM O OE2 B GLU C 3 332 ? 28.323 -33.425 -61.905 0.60 47.69 ? 354 GLU C OE2 1 ? ? +11365 ATOM N N A THR C 3 333 ? 32.964 -32.933 -66.976 0.40 48.61 ? 355 THR C N 1 ? ? +11366 ATOM N N B THR C 3 333 ? 32.945 -33.078 -66.968 0.60 48.01 ? 355 THR C N 1 ? ? +11367 ATOM C CA A THR C 3 333 ? 34.175 -33.697 -67.247 0.40 48.82 ? 355 THR C CA 1 ? ? +11368 ATOM C CA B THR C 3 333 ? 34.187 -33.789 -67.255 0.60 48.24 ? 355 THR C CA 1 ? ? +11369 ATOM C C A THR C 3 333 ? 35.455 -32.940 -66.902 0.40 48.91 ? 355 THR C C 1 ? ? +11370 ATOM C C B THR C 3 333 ? 35.455 -32.989 -66.965 0.60 48.37 ? 355 THR C C 1 ? ? +11371 ATOM O O A THR C 3 333 ? 36.547 -33.499 -66.987 0.40 49.26 ? 355 THR C O 1 ? ? +11372 ATOM O O B THR C 3 333 ? 36.556 -33.516 -67.114 0.60 48.74 ? 355 THR C O 1 ? ? +11373 ATOM C CB A THR C 3 333 ? 34.265 -34.136 -68.712 0.40 49.21 ? 355 THR C CB 1 ? ? +11374 ATOM C CB B THR C 3 333 ? 34.257 -34.271 -68.715 0.60 48.62 ? 355 THR C CB 1 ? ? +11375 ATOM O OG1 A THR C 3 333 ? 35.123 -35.266 -68.803 0.40 49.46 ? 355 THR C OG1 1 ? ? +11376 ATOM O OG1 B THR C 3 333 ? 35.142 -35.380 -68.793 0.60 48.88 ? 355 THR C OG1 1 ? ? +11377 ATOM C CG2 A THR C 3 333 ? 34.778 -33.054 -69.614 0.40 49.56 ? 355 THR C CG2 1 ? ? +11378 ATOM C CG2 B THR C 3 333 ? 34.711 -33.203 -69.677 0.60 48.97 ? 355 THR C CG2 1 ? ? +11379 ATOM N N A MET C 3 334 ? 35.316 -31.671 -66.510 0.40 48.60 ? 356 MET C N 1 ? ? +11380 ATOM N N B MET C 3 334 ? 35.305 -31.728 -66.545 0.60 48.07 ? 356 MET C N 1 ? ? +11381 ATOM C CA A MET C 3 334 ? 36.474 -30.871 -66.152 0.40 48.71 ? 356 MET C CA 1 ? ? +11382 ATOM C CA B MET C 3 334 ? 36.449 -30.925 -66.149 0.60 48.20 ? 356 MET C CA 1 ? ? +11383 ATOM C C A MET C 3 334 ? 37.323 -31.671 -65.171 0.40 48.57 ? 356 MET C C 1 ? ? +11384 ATOM C C B MET C 3 334 ? 37.305 -31.682 -65.139 0.60 48.08 ? 356 MET C C 1 ? ? +11385 ATOM O O A MET C 3 334 ? 38.546 -31.523 -65.124 0.40 48.92 ? 356 MET C O 1 ? ? +11386 ATOM O O B MET C 3 334 ? 38.524 -31.495 -65.085 0.60 48.42 ? 356 MET C O 1 ? ? +11387 ATOM C CB A MET C 3 334 ? 36.074 -29.541 -65.516 0.40 48.45 ? 356 MET C CB 1 ? ? +11388 ATOM C CB B MET C 3 334 ? 36.024 -29.582 -65.539 0.60 47.94 ? 356 MET C CB 1 ? ? +11389 ATOM C CG A MET C 3 334 ? 35.157 -29.686 -64.350 0.40 47.92 ? 356 MET C CG 1 ? ? +11390 ATOM C CG B MET C 3 334 ? 35.112 -29.699 -64.357 0.60 47.41 ? 356 MET C CG 1 ? ? +11391 ATOM S SD A MET C 3 334 ? 34.814 -28.096 -63.593 0.40 47.70 ? 356 MET C SD 1 ? ? +11392 ATOM S SD B MET C 3 334 ? 34.827 -28.101 -63.603 0.60 47.22 ? 356 MET C SD 1 ? ? +11393 ATOM C CE A MET C 3 334 ? 33.436 -27.529 -64.623 0.40 47.60 ? 356 MET C CE 1 ? ? +11394 ATOM C CE B MET C 3 334 ? 33.442 -27.502 -64.615 0.60 47.10 ? 356 MET C CE 1 ? ? +11395 ATOM N N A ARG C 3 335 ? 36.651 -32.530 -64.400 0.40 48.02 ? 357 ARG C N 1 ? ? +11396 ATOM N N B ARG C 3 335 ? 36.651 -32.545 -64.351 0.60 47.57 ? 357 ARG C N 1 ? ? +11397 ATOM C CA A ARG C 3 335 ? 37.305 -33.272 -63.337 0.40 47.86 ? 357 ARG C CA 1 ? ? +11398 ATOM C CA B ARG C 3 335 ? 37.334 -33.311 -63.323 0.60 47.46 ? 357 ARG C CA 1 ? ? +11399 ATOM C C A ARG C 3 335 ? 38.255 -34.342 -63.871 0.40 48.22 ? 357 ARG C C 1 ? ? +11400 ATOM C C B ARG C 3 335 ? 38.284 -34.371 -63.877 0.60 47.86 ? 357 ARG C C 1 ? ? +11401 ATOM O O A ARG C 3 335 ? 39.028 -34.918 -63.111 0.40 48.29 ? 357 ARG C O 1 ? ? +11402 ATOM O O B ARG C 3 335 ? 39.059 -34.948 -63.124 0.60 47.93 ? 357 ARG C O 1 ? ? +11403 ATOM C CB A ARG C 3 335 ? 36.265 -33.944 -62.438 0.40 47.33 ? 357 ARG C CB 1 ? ? +11404 ATOM C CB B ARG C 3 335 ? 36.310 -34.007 -62.420 0.60 46.93 ? 357 ARG C CB 1 ? ? +11405 ATOM C CG A ARG C 3 335 ? 35.555 -35.101 -63.098 0.40 47.32 ? 357 ARG C CG 1 ? ? +11406 ATOM C CG B ARG C 3 335 ? 35.588 -35.164 -63.075 0.60 46.92 ? 357 ARG C CG 1 ? ? +11407 ATOM C CD A ARG C 3 335 ? 34.693 -35.852 -62.109 0.40 46.89 ? 357 ARG C CD 1 ? ? +11408 ATOM C CD B ARG C 3 335 ? 34.733 -35.910 -62.075 0.60 46.50 ? 357 ARG C CD 1 ? ? +11409 ATOM N NE A ARG C 3 335 ? 33.600 -35.024 -61.610 0.40 46.44 ? 357 ARG C NE 1 ? ? +11410 ATOM N NE B ARG C 3 335 ? 33.634 -35.085 -61.585 0.60 46.04 ? 357 ARG C NE 1 ? ? +11411 ATOM C CZ A ARG C 3 335 ? 32.501 -35.507 -61.053 0.40 46.06 ? 357 ARG C CZ 1 ? ? +11412 ATOM C CZ B ARG C 3 335 ? 32.552 -35.562 -60.991 0.60 45.67 ? 357 ARG C CZ 1 ? ? +11413 ATOM N NH1 A ARG C 3 335 ? 32.344 -36.805 -60.856 0.40 46.07 ? 357 ARG C NH1 1 ? ? +11414 ATOM N NH1 B ARG C 3 335 ? 32.412 -36.854 -60.749 0.60 45.68 ? 357 ARG C NH1 1 ? ? +11415 ATOM N NH2 A ARG C 3 335 ? 31.527 -34.671 -60.705 0.40 45.70 ? 357 ARG C NH2 1 ? ? +11416 ATOM N NH2 B ARG C 3 335 ? 31.575 -34.726 -60.651 0.60 45.33 ? 357 ARG C NH2 1 ? ? +11417 ATOM N N A PHE C 3 336 ? 38.169 -34.618 -65.175 0.40 48.43 ? 358 PHE C N 1 ? ? +11418 ATOM N N B PHE C 3 336 ? 38.178 -34.653 -65.180 0.60 48.09 ? 358 PHE C N 1 ? ? +11419 ATOM C CA A PHE C 3 336 ? 38.890 -35.736 -65.761 0.40 48.79 ? 358 PHE C CA 1 ? ? +11420 ATOM C CA B PHE C 3 336 ? 38.896 -35.759 -65.786 0.60 48.49 ? 358 PHE C CA 1 ? ? +11421 ATOM C C A PHE C 3 336 ? 40.004 -35.302 -66.713 0.40 49.33 ? 358 PHE C C 1 ? ? +11422 ATOM C C B PHE C 3 336 ? 39.979 -35.319 -66.772 0.60 49.05 ? 358 PHE C C 1 ? ? +11423 ATOM O O A PHE C 3 336 ? 40.528 -36.114 -67.469 0.40 49.73 ? 358 PHE C O 1 ? ? +11424 ATOM O O B PHE C 3 336 ? 40.428 -36.115 -67.592 0.60 49.43 ? 358 PHE C O 1 ? ? +11425 ATOM C CB A PHE C 3 336 ? 37.902 -36.653 -66.502 0.40 48.71 ? 358 PHE C CB 1 ? ? +11426 ATOM C CB B PHE C 3 336 ? 37.893 -36.681 -66.504 0.60 48.40 ? 358 PHE C CB 1 ? ? +11427 ATOM C CG A PHE C 3 336 ? 37.021 -37.504 -65.615 0.40 48.25 ? 358 PHE C CG 1 ? ? +11428 ATOM C CG B PHE C 3 336 ? 37.011 -37.516 -65.605 0.60 47.94 ? 358 PHE C CG 1 ? ? +11429 ATOM C CD1 A PHE C 3 336 ? 37.568 -38.298 -64.625 0.40 48.21 ? 358 PHE C CD1 1 ? ? +11430 ATOM C CD1 B PHE C 3 336 ? 37.558 -38.305 -64.608 0.60 47.89 ? 358 PHE C CD1 1 ? ? +11431 ATOM C CD2 A PHE C 3 336 ? 35.647 -37.529 -65.793 0.40 47.89 ? 358 PHE C CD2 1 ? ? +11432 ATOM C CD2 B PHE C 3 336 ? 35.636 -37.537 -65.779 0.60 47.58 ? 358 PHE C CD2 1 ? ? +11433 ATOM C CE1 A PHE C 3 336 ? 36.759 -39.088 -63.824 0.40 47.85 ? 358 PHE C CE1 1 ? ? +11434 ATOM C CE1 B PHE C 3 336 ? 36.744 -39.080 -63.795 0.60 47.53 ? 358 PHE C CE1 1 ? ? +11435 ATOM C CE2 A PHE C 3 336 ? 34.844 -38.319 -64.990 0.40 47.52 ? 358 PHE C CE2 1 ? ? +11436 ATOM C CE2 B PHE C 3 336 ? 34.832 -38.316 -64.967 0.60 47.21 ? 358 PHE C CE2 1 ? ? +11437 ATOM C CZ A PHE C 3 336 ? 35.399 -39.093 -64.011 0.40 47.51 ? 358 PHE C CZ 1 ? ? +11438 ATOM C CZ B PHE C 3 336 ? 35.383 -39.085 -63.983 0.60 47.19 ? 358 PHE C CZ 1 ? ? +11439 ATOM N N A TRP C 3 337 ? 40.365 -34.017 -66.667 0.40 49.33 ? 359 TRP C N 1 ? ? +11440 ATOM N N B TRP C 3 337 ? 40.406 -34.057 -66.687 0.60 49.09 ? 359 TRP C N 1 ? ? +11441 ATOM C CA A TRP C 3 337 ? 41.287 -33.460 -67.641 0.40 49.88 ? 359 TRP C CA 1 ? ? +11442 ATOM C CA B TRP C 3 337 ? 41.336 -33.516 -67.662 0.60 49.68 ? 359 TRP C CA 1 ? ? +11443 ATOM C C A TRP C 3 337 ? 42.654 -34.140 -67.589 0.40 50.37 ? 359 TRP C C 1 ? ? +11444 ATOM C C B TRP C 3 337 ? 42.712 -34.185 -67.617 0.60 50.20 ? 359 TRP C C 1 ? ? +11445 ATOM O O A TRP C 3 337 ? 43.488 -33.928 -68.466 0.40 50.93 ? 359 TRP C O 1 ? ? +11446 ATOM O O B TRP C 3 337 ? 43.503 -34.031 -68.542 0.60 50.76 ? 359 TRP C O 1 ? ? +11447 ATOM C CB A TRP C 3 337 ? 41.443 -31.942 -67.460 0.40 49.85 ? 359 TRP C CB 1 ? ? +11448 ATOM C CB B TRP C 3 337 ? 41.498 -32.000 -67.508 0.60 49.67 ? 359 TRP C CB 1 ? ? +11449 ATOM C CG A TRP C 3 337 ? 42.200 -31.510 -66.246 0.40 49.79 ? 359 TRP C CG 1 ? ? +11450 ATOM C CG B TRP C 3 337 ? 42.242 -31.549 -66.295 0.60 49.61 ? 359 TRP C CG 1 ? ? +11451 ATOM C CD1 A TRP C 3 337 ? 41.751 -31.474 -64.961 0.40 49.28 ? 359 TRP C CD1 1 ? ? +11452 ATOM C CD1 B TRP C 3 337 ? 41.781 -31.497 -65.017 0.60 49.09 ? 359 TRP C CD1 1 ? ? +11453 ATOM C CD2 A TRP C 3 337 ? 43.559 -31.051 -66.211 0.40 50.31 ? 359 TRP C CD2 1 ? ? +11454 ATOM C CD2 B TRP C 3 337 ? 43.605 -31.094 -66.251 0.60 50.13 ? 359 TRP C CD2 1 ? ? +11455 ATOM N NE1 A TRP C 3 337 ? 42.745 -31.012 -64.126 0.40 49.45 ? 359 TRP C NE1 1 ? ? +11456 ATOM N NE1 B TRP C 3 337 ? 42.767 -31.025 -64.177 0.60 49.25 ? 359 TRP C NE1 1 ? ? +11457 ATOM C CE2 A TRP C 3 337 ? 43.868 -30.753 -64.870 0.40 50.07 ? 359 TRP C CE2 1 ? ? +11458 ATOM C CE2 B TRP C 3 337 ? 43.899 -30.777 -64.910 0.60 49.87 ? 359 TRP C CE2 1 ? ? +11459 ATOM C CE3 A TRP C 3 337 ? 44.546 -30.868 -67.187 0.40 50.99 ? 359 TRP C CE3 1 ? ? +11460 ATOM C CE3 B TRP C 3 337 ? 44.605 -30.922 -67.220 0.60 50.80 ? 359 TRP C CE3 1 ? ? +11461 ATOM C CZ2 A TRP C 3 337 ? 45.111 -30.271 -64.488 0.40 50.47 ? 359 TRP C CZ2 1 ? ? +11462 ATOM C CZ2 B TRP C 3 337 ? 45.136 -30.292 -64.519 0.60 50.27 ? 359 TRP C CZ2 1 ? ? +11463 ATOM C CZ3 A TRP C 3 337 ? 45.775 -30.397 -66.804 0.40 51.38 ? 359 TRP C CZ3 1 ? ? +11464 ATOM C CZ3 B TRP C 3 337 ? 45.829 -30.441 -66.830 0.60 51.20 ? 359 TRP C CZ3 1 ? ? +11465 ATOM C CH2 A TRP C 3 337 ? 46.048 -30.100 -65.471 0.40 51.13 ? 359 TRP C CH2 1 ? ? +11466 ATOM C CH2 B TRP C 3 337 ? 46.086 -30.129 -65.496 0.60 50.95 ? 359 TRP C CH2 1 ? ? +11467 ATOM N N A ASP C 3 338 ? 42.871 -34.964 -66.561 0.40 50.16 ? 360 ASP C N 1 ? ? +11468 ATOM N N B ASP C 3 338 ? 42.983 -34.934 -66.543 0.60 50.02 ? 360 ASP C N 1 ? ? +11469 ATOM C CA A ASP C 3 338 ? 44.119 -35.689 -66.420 0.40 50.61 ? 360 ASP C CA 1 ? ? +11470 ATOM C CA B ASP C 3 338 ? 44.210 -35.697 -66.426 0.60 50.50 ? 360 ASP C CA 1 ? ? +11471 ATOM C C A ASP C 3 338 ? 44.098 -36.967 -67.250 0.40 50.83 ? 360 ASP C C 1 ? ? +11472 ATOM C C B ASP C 3 338 ? 44.199 -36.935 -67.317 0.60 50.76 ? 360 ASP C C 1 ? ? +11473 ATOM O O A ASP C 3 338 ? 45.042 -37.752 -67.198 0.40 51.26 ? 360 ASP C O 1 ? ? +11474 ATOM O O B ASP C 3 338 ? 45.224 -37.602 -67.450 0.60 51.28 ? 360 ASP C O 1 ? ? +11475 ATOM C CB A ASP C 3 338 ? 44.390 -36.037 -64.953 0.40 50.39 ? 360 ASP C CB 1 ? ? +11476 ATOM C CB B ASP C 3 338 ? 44.442 -36.135 -64.978 0.60 50.27 ? 360 ASP C CB 1 ? ? +11477 ATOM C CG A ASP C 3 338 ? 44.358 -34.849 -64.015 0.40 50.12 ? 360 ASP C CG 1 ? ? +11478 ATOM C CG B ASP C 3 338 ? 44.389 -35.009 -63.970 0.60 49.99 ? 360 ASP C CG 1 ? ? +11479 ATOM O OD1 A ASP C 3 338 ? 45.058 -33.865 -64.287 0.40 50.48 ? 360 ASP C OD1 1 ? ? +11480 ATOM O OD1 B ASP C 3 338 ? 45.157 -34.050 -64.119 0.60 50.35 ? 360 ASP C OD1 1 ? ? +11481 ATOM O OD2 A ASP C 3 338 ? 43.636 -34.913 -63.003 0.40 49.63 ? 360 ASP C OD2 1 ? ? +11482 ATOM O OD2 B ASP C 3 338 ? 43.573 -35.092 -63.032 0.60 49.51 ? 360 ASP C OD2 1 ? ? +11483 ATOM N N A PHE C 3 339 ? 43.010 -37.175 -68.000 0.40 50.56 ? 361 PHE C N 1 ? ? +11484 ATOM N N B PHE C 3 339 ? 43.040 -37.247 -67.908 0.60 50.44 ? 361 PHE C N 1 ? ? +11485 ATOM C CA A PHE C 3 339 ? 42.891 -38.342 -68.858 0.40 50.77 ? 361 PHE C CA 1 ? ? +11486 ATOM C CA B PHE C 3 339 ? 42.918 -38.398 -68.787 0.60 50.67 ? 361 PHE C CA 1 ? ? +11487 ATOM C C A PHE C 3 339 ? 43.844 -38.221 -70.043 0.40 51.45 ? 361 PHE C C 1 ? ? +11488 ATOM C C B PHE C 3 339 ? 43.862 -38.249 -69.977 0.60 51.36 ? 361 PHE C C 1 ? ? +11489 ATOM O O A PHE C 3 339 ? 43.943 -37.166 -70.660 0.40 51.62 ? 361 PHE C O 1 ? ? +11490 ATOM O O B PHE C 3 339 ? 43.972 -37.171 -70.551 0.60 51.51 ? 361 PHE C O 1 ? ? +11491 ATOM C CB A PHE C 3 339 ? 41.443 -38.539 -69.388 0.40 50.36 ? 361 PHE C CB 1 ? ? +11492 ATOM C CB B PHE C 3 339 ? 41.459 -38.587 -69.307 0.60 50.25 ? 361 PHE C CB 1 ? ? +11493 ATOM C CG A PHE C 3 339 ? 41.384 -39.534 -70.526 0.40 50.70 ? 361 PHE C CG 1 ? ? +11494 ATOM C CG B PHE C 3 339 ? 41.389 -39.567 -70.457 0.60 50.57 ? 361 PHE C CG 1 ? ? +11495 ATOM C CD1 A PHE C 3 339 ? 41.469 -40.895 -70.286 0.40 50.75 ? 361 PHE C CD1 1 ? ? +11496 ATOM C CD1 B PHE C 3 339 ? 41.473 -40.931 -70.234 0.60 50.64 ? 361 PHE C CD1 1 ? ? +11497 ATOM C CD2 A PHE C 3 339 ? 41.319 -39.105 -71.838 0.40 51.01 ? 361 PHE C CD2 1 ? ? +11498 ATOM C CD2 B PHE C 3 339 ? 41.330 -39.120 -71.764 0.60 50.89 ? 361 PHE C CD2 1 ? ? +11499 ATOM C CE1 A PHE C 3 339 ? 41.460 -41.805 -71.335 0.40 51.11 ? 361 PHE C CE1 1 ? ? +11500 ATOM C CE1 B PHE C 3 339 ? 41.464 -41.827 -71.296 0.60 51.01 ? 361 PHE C CE1 1 ? ? +11501 ATOM C CE2 A PHE C 3 339 ? 41.310 -40.018 -72.885 0.40 51.40 ? 361 PHE C CE2 1 ? ? +11502 ATOM C CE2 B PHE C 3 339 ? 41.324 -40.019 -72.825 0.60 51.28 ? 361 PHE C CE2 1 ? ? +11503 ATOM C CZ A PHE C 3 339 ? 41.382 -41.362 -72.627 0.40 51.44 ? 361 PHE C CZ 1 ? ? +11504 ATOM C CZ B PHE C 3 339 ? 41.391 -41.366 -72.584 0.60 51.32 ? 361 PHE C CZ 1 ? ? +11505 ATOM N N A ARG C 3 340 ? 44.529 -39.319 -70.360 0.40 51.89 ? 362 ARG C N 1 ? ? +11506 ATOM N N B ARG C 3 340 ? 44.525 -39.346 -70.345 0.60 51.83 ? 362 ARG C N 1 ? ? +11507 ATOM C CA A ARG C 3 340 ? 45.344 -39.390 -71.560 0.40 52.61 ? 362 ARG C CA 1 ? ? +11508 ATOM C CA B ARG C 3 340 ? 45.331 -39.392 -71.552 0.60 52.55 ? 362 ARG C CA 1 ? ? +11509 ATOM C C A ARG C 3 340 ? 44.959 -40.673 -72.288 0.40 52.77 ? 362 ARG C C 1 ? ? +11510 ATOM C C B ARG C 3 340 ? 44.941 -40.670 -72.287 0.60 52.73 ? 362 ARG C C 1 ? ? +11511 ATOM O O A ARG C 3 340 ? 44.789 -41.714 -71.659 0.40 52.60 ? 362 ARG C O 1 ? ? +11512 ATOM O O B ARG C 3 340 ? 44.753 -41.709 -71.660 0.60 52.56 ? 362 ARG C O 1 ? ? +11513 ATOM C CB A ARG C 3 340 ? 46.866 -39.375 -71.237 0.40 53.15 ? 362 ARG C CB 1 ? ? +11514 ATOM C CB B ARG C 3 340 ? 46.862 -39.376 -71.237 0.60 53.09 ? 362 ARG C CB 1 ? ? +11515 ATOM C CG A ARG C 3 340 ? 47.316 -38.293 -70.249 0.40 53.00 ? 362 ARG C CG 1 ? ? +11516 ATOM C CG B ARG C 3 340 ? 47.328 -38.285 -70.257 0.60 52.95 ? 362 ARG C CG 1 ? ? +11517 ATOM C CD A ARG C 3 340 ? 47.273 -36.889 -70.827 0.40 53.11 ? 362 ARG C CD 1 ? ? +11518 ATOM C CD B ARG C 3 340 ? 47.295 -36.881 -70.838 0.60 53.06 ? 362 ARG C CD 1 ? ? +11519 ATOM N NE A ARG C 3 340 ? 48.281 -36.671 -71.863 0.40 53.89 ? 362 ARG C NE 1 ? ? +11520 ATOM N NE B ARG C 3 340 ? 48.307 -36.664 -71.870 0.60 53.84 ? 362 ARG C NE 1 ? ? +11521 ATOM C CZ A ARG C 3 340 ? 49.572 -36.457 -71.638 0.40 54.43 ? 362 ARG C CZ 1 ? ? +11522 ATOM C CZ B ARG C 3 340 ? 49.595 -36.425 -71.646 0.60 54.38 ? 362 ARG C CZ 1 ? ? +11523 ATOM N NH1 A ARG C 3 340 ? 50.061 -36.391 -70.411 0.40 54.28 ? 362 ARG C NH1 1 ? ? +11524 ATOM N NH1 B ARG C 3 340 ? 50.078 -36.307 -70.420 0.60 54.23 ? 362 ARG C NH1 1 ? ? +11525 ATOM N NH2 A ARG C 3 340 ? 50.390 -36.289 -72.673 0.40 55.15 ? 362 ARG C NH2 1 ? ? +11526 ATOM N NH2 B ARG C 3 340 ? 50.415 -36.277 -72.682 0.60 55.10 ? 362 ARG C NH2 1 ? ? +11527 ATOM N N . GLY C 3 341 ? 44.816 -40.589 -73.614 1.00 53.13 ? 363 GLY C N 1 ? ? +11528 ATOM C CA . GLY C 3 341 ? 44.544 -41.768 -74.419 1.00 53.40 ? 363 GLY C CA 1 ? ? +11529 ATOM C C . GLY C 3 341 ? 44.886 -41.571 -75.885 1.00 54.05 ? 363 GLY C C 1 ? ? +11530 ATOM O O . GLY C 3 341 ? 44.870 -40.440 -76.358 1.00 54.12 ? 363 GLY C O 1 ? ? +11531 ATOM N N . PRO C 3 342 ? 45.172 -42.660 -76.640 1.00 54.60 ? 364 PRO C N 1 ? ? +11532 ATOM C CA . PRO C 3 342 ? 45.675 -42.547 -78.012 1.00 55.35 ? 364 PRO C CA 1 ? ? +11533 ATOM C CB . PRO C 3 342 ? 45.815 -44.003 -78.465 1.00 55.65 ? 364 PRO C CB 1 ? ? +11534 ATOM C CG . PRO C 3 342 ? 45.754 -44.812 -77.230 1.00 55.25 ? 364 PRO C CG 1 ? ? +11535 ATOM C CD . PRO C 3 342 ? 45.022 -44.058 -76.206 1.00 54.52 ? 364 PRO C CD 1 ? ? +11536 ATOM C C . PRO C 3 342 ? 44.794 -41.764 -78.983 1.00 55.41 ? 364 PRO C C 1 ? ? +11537 ATOM O O . PRO C 3 342 ? 45.309 -41.112 -79.887 1.00 55.94 ? 364 PRO C O 1 ? ? +11538 ATOM N N A TRP C 3 343 ? 43.471 -41.831 -78.787 0.40 54.90 ? 365 TRP C N 1 ? ? +11539 ATOM N N B TRP C 3 343 ? 43.473 -41.846 -78.792 0.60 54.90 ? 365 TRP C N 1 ? ? +11540 ATOM C CA A TRP C 3 343 ? 42.522 -41.188 -79.682 0.40 54.92 ? 365 TRP C CA 1 ? ? +11541 ATOM C CA B TRP C 3 343 ? 42.523 -41.194 -79.680 0.60 54.90 ? 365 TRP C CA 1 ? ? +11542 ATOM C C A TRP C 3 343 ? 42.418 -39.681 -79.462 0.40 54.78 ? 365 TRP C C 1 ? ? +11543 ATOM C C B TRP C 3 343 ? 42.417 -39.687 -79.462 0.60 54.76 ? 365 TRP C C 1 ? ? +11544 ATOM O O A TRP C 3 343 ? 41.962 -38.957 -80.343 0.40 54.93 ? 365 TRP C O 1 ? ? +11545 ATOM O O B TRP C 3 343 ? 41.958 -38.971 -80.346 0.60 54.93 ? 365 TRP C O 1 ? ? +11546 ATOM C CB A TRP C 3 343 ? 41.137 -41.848 -79.539 0.40 54.42 ? 365 TRP C CB 1 ? ? +11547 ATOM C CB B TRP C 3 343 ? 41.129 -41.820 -79.537 0.60 54.38 ? 365 TRP C CB 1 ? ? +11548 ATOM C CG A TRP C 3 343 ? 40.584 -41.824 -78.150 0.40 53.70 ? 365 TRP C CG 1 ? ? +11549 ATOM C CG B TRP C 3 343 ? 40.592 -41.836 -78.144 0.60 53.65 ? 365 TRP C CG 1 ? ? +11550 ATOM C CD1 A TRP C 3 343 ? 40.707 -42.796 -77.203 0.40 53.48 ? 365 TRP C CD1 1 ? ? +11551 ATOM C CD1 B TRP C 3 343 ? 40.802 -42.791 -77.193 0.60 53.45 ? 365 TRP C CD1 1 ? ? +11552 ATOM C CD2 A TRP C 3 343 ? 39.777 -40.798 -77.570 0.40 53.15 ? 365 TRP C CD2 1 ? ? +11553 ATOM C CD2 B TRP C 3 343 ? 39.782 -40.834 -77.534 0.60 53.09 ? 365 TRP C CD2 1 ? ? +11554 ATOM N NE1 A TRP C 3 343 ? 40.054 -42.423 -76.055 0.40 52.83 ? 365 TRP C NE1 1 ? ? +11555 ATOM N NE1 B TRP C 3 343 ? 40.161 -42.449 -76.030 0.60 52.80 ? 365 TRP C NE1 1 ? ? +11556 ATOM C CE2 A TRP C 3 343 ? 39.465 -41.201 -76.256 0.40 52.62 ? 365 TRP C CE2 1 ? ? +11557 ATOM C CE2 B TRP C 3 343 ? 39.520 -41.251 -76.212 0.60 52.56 ? 365 TRP C CE2 1 ? ? +11558 ATOM C CE3 A TRP C 3 343 ? 39.292 -39.570 -78.028 0.40 53.09 ? 365 TRP C CE3 1 ? ? +11559 ATOM C CE3 B TRP C 3 343 ? 39.238 -39.625 -77.976 0.60 52.99 ? 365 TRP C CE3 1 ? ? +11560 ATOM C CZ2 A TRP C 3 343 ? 38.692 -40.418 -75.398 0.40 52.03 ? 365 TRP C CZ2 1 ? ? +11561 ATOM C CZ2 B TRP C 3 343 ? 38.740 -40.498 -75.331 0.60 51.95 ? 365 TRP C CZ2 1 ? ? +11562 ATOM C CZ3 A TRP C 3 343 ? 38.528 -38.797 -77.176 0.40 52.49 ? 365 TRP C CZ3 1 ? ? +11563 ATOM C CZ3 B TRP C 3 343 ? 38.467 -38.883 -77.100 0.60 52.39 ? 365 TRP C CZ3 1 ? ? +11564 ATOM C CH2 A TRP C 3 343 ? 38.237 -39.222 -75.878 0.40 51.97 ? 365 TRP C CH2 1 ? ? +11565 ATOM C CH2 B TRP C 3 343 ? 38.229 -39.319 -75.794 0.60 51.88 ? 365 TRP C CH2 1 ? ? +11566 ATOM N N A LEU C 3 344 ? 42.859 -39.212 -78.291 0.40 54.56 ? 366 LEU C N 1 ? ? +11567 ATOM N N B LEU C 3 344 ? 42.847 -39.214 -78.286 0.60 54.54 ? 366 LEU C N 1 ? ? +11568 ATOM C CA A LEU C 3 344 ? 42.749 -37.806 -77.935 0.40 54.39 ? 366 LEU C CA 1 ? ? +11569 ATOM C CA B LEU C 3 344 ? 42.748 -37.806 -77.934 0.60 54.37 ? 366 LEU C CA 1 ? ? +11570 ATOM C C A LEU C 3 344 ? 44.046 -37.008 -78.086 0.40 54.95 ? 366 LEU C C 1 ? ? +11571 ATOM C C B LEU C 3 344 ? 44.045 -37.010 -78.087 0.60 54.94 ? 366 LEU C C 1 ? ? +11572 ATOM O O A LEU C 3 344 ? 44.013 -35.826 -78.419 0.40 55.02 ? 366 LEU C O 1 ? ? +11573 ATOM O O B LEU C 3 344 ? 44.012 -35.827 -78.417 0.60 54.99 ? 366 LEU C O 1 ? ? +11574 ATOM C CB A LEU C 3 344 ? 42.248 -37.724 -76.492 0.40 53.69 ? 366 LEU C CB 1 ? ? +11575 ATOM C CB B LEU C 3 344 ? 42.253 -37.718 -76.487 0.60 53.68 ? 366 LEU C CB 1 ? ? +11576 ATOM C CG A LEU C 3 344 ? 41.998 -36.328 -75.951 0.40 53.37 ? 366 LEU C CG 1 ? ? +11577 ATOM C CG B LEU C 3 344 ? 41.995 -36.323 -75.941 0.60 53.34 ? 366 LEU C CG 1 ? ? +11578 ATOM C CD1 A LEU C 3 344 ? 41.010 -35.587 -76.807 0.40 53.31 ? 366 LEU C CD1 1 ? ? +11579 ATOM C CD1 B LEU C 3 344 ? 41.016 -35.574 -76.797 0.60 53.29 ? 366 LEU C CD1 1 ? ? +11580 ATOM C CD2 A LEU C 3 344 ? 41.507 -36.382 -74.516 0.40 52.69 ? 366 LEU C CD2 1 ? ? +11581 ATOM C CD2 B LEU C 3 344 ? 41.489 -36.386 -74.510 0.60 52.66 ? 366 LEU C CD2 1 ? ? +11582 ATOM N N . GLU C 3 345 ? 45.190 -37.662 -77.856 1.00 55.40 ? 367 GLU C N 1 ? ? +11583 ATOM C CA . GLU C 3 345 ? 46.476 -36.972 -77.826 1.00 56.00 ? 367 GLU C CA 1 ? ? +11584 ATOM C CB . GLU C 3 345 ? 47.613 -37.931 -77.451 1.00 56.35 ? 367 GLU C CB 1 ? ? +11585 ATOM C CG . GLU C 3 345 ? 47.480 -38.521 -76.058 1.00 55.83 ? 367 GLU C CG 1 ? ? +11586 ATOM C CD . GLU C 3 345 ? 46.998 -37.530 -75.020 1.00 55.29 ? 367 GLU C CD 1 ? ? +11587 ATOM O OE1 . GLU C 3 345 ? 47.734 -36.552 -74.768 1.00 55.53 ? 367 GLU C OE1 1 ? ? +11588 ATOM O OE2 . GLU C 3 345 ? 45.884 -37.711 -74.463 1.00 54.70 ? 367 GLU C OE2 1 ? ? +11589 ATOM C C . GLU C 3 345 ? 46.846 -36.213 -79.102 1.00 56.75 ? 367 GLU C C 1 ? ? +11590 ATOM O O . GLU C 3 345 ? 47.427 -35.142 -79.005 1.00 57.05 ? 367 GLU C O 1 ? ? +11591 ATOM N N . PRO C 3 346 ? 46.510 -36.674 -80.328 1.00 57.23 ? 368 PRO C N 1 ? ? +11592 ATOM C CA . PRO C 3 346 ? 46.786 -35.885 -81.533 1.00 57.90 ? 368 PRO C CA 1 ? ? +11593 ATOM C CB . PRO C 3 346 ? 46.158 -36.723 -82.654 1.00 58.07 ? 368 PRO C CB 1 ? ? +11594 ATOM C CG . PRO C 3 346 ? 46.072 -38.115 -82.109 1.00 57.81 ? 368 PRO C CG 1 ? ? +11595 ATOM C CD . PRO C 3 346 ? 45.868 -37.964 -80.628 1.00 57.13 ? 368 PRO C CD 1 ? ? +11596 ATOM C C . PRO C 3 346 ? 46.224 -34.461 -81.542 1.00 57.87 ? 368 PRO C C 1 ? ? +11597 ATOM O O . PRO C 3 346 ? 46.696 -33.625 -82.298 1.00 58.45 ? 368 PRO C O 1 ? ? +11598 ATOM N N . LEU C 3 347 ? 45.195 -34.189 -80.729 1.00 57.37 ? 369 LEU C N 1 ? ? +11599 ATOM C CA . LEU C 3 347 ? 44.597 -32.862 -80.637 1.00 57.27 ? 369 LEU C CA 1 ? ? +11600 ATOM C CB . LEU C 3 347 ? 43.097 -32.982 -80.285 1.00 56.52 ? 369 LEU C CB 1 ? ? +11601 ATOM C CG . LEU C 3 347 ? 42.280 -33.828 -81.246 1.00 56.64 ? 369 LEU C CG 1 ? ? +11602 ATOM C CD1 . LEU C 3 347 ? 40.807 -33.880 -80.829 1.00 55.97 ? 369 LEU C CD1 1 ? ? +11603 ATOM C CD2 . LEU C 3 347 ? 42.397 -33.317 -82.671 1.00 57.29 ? 369 LEU C CD2 1 ? ? +11604 ATOM C C . LEU C 3 347 ? 45.281 -31.988 -79.585 1.00 57.27 ? 369 LEU C C 1 ? ? +11605 ATOM O O . LEU C 3 347 ? 44.962 -30.808 -79.440 1.00 57.03 ? 369 LEU C O 1 ? ? +11606 ATOM N N . ARG C 3 348 ? 46.216 -32.589 -78.844 1.00 57.51 ? 370 ARG C N 1 ? ? +11607 ATOM C CA . ARG C 3 348 ? 46.875 -31.917 -77.738 1.00 57.58 ? 370 ARG C CA 1 ? ? +11608 ATOM C CB . ARG C 3 348 ? 47.279 -32.980 -76.687 1.00 57.41 ? 370 ARG C CB 1 ? ? +11609 ATOM C CG . ARG C 3 348 ? 47.773 -32.511 -75.333 1.00 57.14 ? 370 ARG C CG 1 ? ? +11610 ATOM C CD . ARG C 3 348 ? 46.733 -32.557 -74.308 1.00 56.29 ? 370 ARG C CD 1 ? ? +11611 ATOM N NE . ARG C 3 348 ? 46.326 -33.919 -73.990 1.00 56.05 ? 370 ARG C NE 1 ? ? +11612 ATOM C CZ . ARG C 3 348 ? 45.169 -34.201 -73.402 1.00 55.39 ? 370 ARG C CZ 1 ? ? +11613 ATOM N NH1 . ARG C 3 348 ? 44.372 -33.244 -72.959 1.00 54.90 ? 370 ARG C NH1 1 ? ? +11614 ATOM N NH2 . ARG C 3 348 ? 44.790 -35.468 -73.267 1.00 55.23 ? 370 ARG C NH2 1 ? ? +11615 ATOM C C . ARG C 3 348 ? 48.089 -31.149 -78.259 1.00 58.36 ? 370 ARG C C 1 ? ? +11616 ATOM O O . ARG C 3 348 ? 48.808 -31.630 -79.121 1.00 59.03 ? 370 ARG C O 1 ? ? +11617 ATOM N N . GLY C 3 349 ? 48.277 -29.939 -77.741 1.00 58.46 ? 371 GLY C N 1 ? ? +11618 ATOM C CA . GLY C 3 349 ? 49.457 -29.145 -78.001 1.00 59.38 ? 371 GLY C CA 1 ? ? +11619 ATOM C C . GLY C 3 349 ? 50.099 -28.738 -76.680 1.00 59.48 ? 371 GLY C C 1 ? ? +11620 ATOM O O . GLY C 3 349 ? 49.650 -29.167 -75.616 1.00 58.86 ? 371 GLY C O 1 ? ? +11621 ATOM N N . PRO C 3 350 ? 51.134 -27.865 -76.705 1.00 60.28 ? 372 PRO C N 1 ? ? +11622 ATOM C CA . PRO C 3 350 ? 51.793 -27.417 -75.478 1.00 60.34 ? 372 PRO C CA 1 ? ? +11623 ATOM C CB . PRO C 3 350 ? 52.746 -26.324 -75.985 1.00 61.13 ? 372 PRO C CB 1 ? ? +11624 ATOM C CG . PRO C 3 350 ? 52.955 -26.632 -77.445 1.00 61.71 ? 372 PRO C CG 1 ? ? +11625 ATOM C CD . PRO C 3 350 ? 51.662 -27.209 -77.914 1.00 61.12 ? 372 PRO C CD 1 ? ? +11626 ATOM C C . PRO C 3 350 ? 50.844 -26.870 -74.410 1.00 59.73 ? 372 PRO C C 1 ? ? +11627 ATOM O O . PRO C 3 350 ? 51.064 -27.089 -73.223 1.00 59.47 ? 372 PRO C O 1 ? ? +11628 ATOM N N . ASN C 3 351 ? 49.783 -26.165 -74.830 1.00 59.60 ? 373 ASN C N 1 ? ? +11629 ATOM C CA . ASN C 3 351 ? 48.857 -25.539 -73.897 1.00 59.00 ? 373 ASN C CA 1 ? ? +11630 ATOM C CB . ASN C 3 351 ? 48.411 -24.195 -74.417 1.00 59.23 ? 373 ASN C CB 1 ? ? +11631 ATOM C CG . ASN C 3 351 ? 49.500 -23.170 -74.366 1.00 60.08 ? 373 ASN C CG 1 ? ? +11632 ATOM O OD1 . ASN C 3 351 ? 50.644 -23.421 -73.929 1.00 60.38 ? 373 ASN C OD1 1 ? ? +11633 ATOM N ND2 . ASN C 3 351 ? 49.157 -21.986 -74.832 1.00 60.46 ? 373 ASN C ND2 1 ? ? +11634 ATOM C C . ASN C 3 351 ? 47.603 -26.346 -73.592 1.00 58.24 ? 373 ASN C C 1 ? ? +11635 ATOM O O . ASN C 3 351 ? 46.654 -25.823 -72.998 1.00 57.77 ? 373 ASN C O 1 ? ? +11636 ATOM N N . GLY C 3 352 ? 47.611 -27.621 -73.983 1.00 58.22 ? 374 GLY C N 1 ? ? +11637 ATOM C CA . GLY C 3 352 ? 46.439 -28.465 -73.837 1.00 57.53 ? 374 GLY C CA 1 ? ? +11638 ATOM C C . GLY C 3 352 ? 45.797 -28.670 -75.201 1.00 57.68 ? 374 GLY C C 1 ? ? +11639 ATOM O O . GLY C 3 352 ? 46.488 -28.631 -76.222 1.00 58.27 ? 374 GLY C O 1 ? ? +11640 ATOM N N . LEU C 3 353 ? 44.474 -28.857 -75.198 1.00 57.06 ? 375 LEU C N 1 ? ? +11641 ATOM C CA . LEU C 3 353 ? 43.743 -29.065 -76.429 1.00 57.26 ? 375 LEU C CA 1 ? ? +11642 ATOM C CB . LEU C 3 353 ? 42.235 -29.280 -76.150 1.00 56.62 ? 375 LEU C CB 1 ? ? +11643 ATOM C CG . LEU C 3 353 ? 41.878 -30.542 -75.399 1.00 56.20 ? 375 LEU C CG 1 ? ? +11644 ATOM C CD1 . LEU C 3 353 ? 40.411 -30.688 -75.254 1.00 55.72 ? 375 LEU C CD1 1 ? ? +11645 ATOM C CD2 . LEU C 3 353 ? 42.399 -31.757 -76.083 1.00 56.71 ? 375 LEU C CD2 1 ? ? +11646 ATOM C C . LEU C 3 353 ? 43.955 -27.852 -77.323 1.00 57.75 ? 375 LEU C C 1 ? ? +11647 ATOM O O . LEU C 3 353 ? 43.843 -26.719 -76.873 1.00 57.56 ? 375 LEU C O 1 ? ? +11648 ATOM N N . ASP C 3 354 ? 44.275 -28.116 -78.589 1.00 58.57 ? 376 ASP C N 1 ? ? +11649 ATOM C CA . ASP C 3 354 ? 44.625 -27.075 -79.536 1.00 59.35 ? 376 ASP C CA 1 ? ? +11650 ATOM C CB . ASP C 3 354 ? 45.833 -27.515 -80.383 1.00 60.22 ? 376 ASP C CB 1 ? ? +11651 ATOM C CG . ASP C 3 354 ? 46.496 -26.400 -81.131 1.00 61.04 ? 376 ASP C CG 1 ? ? +11652 ATOM O OD1 . ASP C 3 354 ? 45.785 -25.561 -81.696 1.00 60.97 ? 376 ASP C OD1 1 ? ? +11653 ATOM O OD2 . ASP C 3 354 ? 47.740 -26.385 -81.181 1.00 62.39 ? 376 ASP C OD2 1 ? ? +11654 ATOM C C . ASP C 3 354 ? 43.429 -26.757 -80.426 1.00 59.23 ? 376 ASP C C 1 ? ? +11655 ATOM O O . ASP C 3 354 ? 42.912 -27.630 -81.116 1.00 59.02 ? 376 ASP C O 1 ? ? +11656 ATOM N N . LEU C 3 355 ? 43.041 -25.484 -80.439 1.00 59.42 ? 377 LEU C N 1 ? ? +11657 ATOM C CA . LEU C 3 355 ? 41.842 -25.079 -81.139 1.00 59.83 ? 377 LEU C CA 1 ? ? +11658 ATOM C CB . LEU C 3 355 ? 41.491 -23.628 -80.816 1.00 59.55 ? 377 LEU C CB 1 ? ? +11659 ATOM C CG . LEU C 3 355 ? 40.116 -23.160 -81.289 1.00 59.14 ? 377 LEU C CG 1 ? ? +11660 ATOM C CD1 . LEU C 3 355 ? 38.995 -24.040 -80.749 1.00 58.40 ? 377 LEU C CD1 1 ? ? +11661 ATOM C CD2 . LEU C 3 355 ? 39.871 -21.746 -80.870 1.00 58.93 ? 377 LEU C CD2 1 ? ? +11662 ATOM C C . LEU C 3 355 ? 41.974 -25.276 -82.645 1.00 61.26 ? 377 LEU C C 1 ? ? +11663 ATOM O O . LEU C 3 355 ? 41.003 -25.625 -83.312 1.00 61.66 ? 377 LEU C O 1 ? ? +11664 ATOM N N . ASN C 3 356 ? 43.177 -25.055 -83.174 1.00 62.66 ? 378 ASN C N 1 ? ? +11665 ATOM C CA . ASN C 3 356 ? 43.417 -25.236 -84.594 1.00 63.94 ? 378 ASN C CA 1 ? ? +11666 ATOM C CB . ASN C 3 356 ? 44.760 -24.673 -85.001 1.00 65.25 ? 378 ASN C CB 1 ? ? +11667 ATOM C CG . ASN C 3 356 ? 44.702 -23.168 -85.049 1.00 66.15 ? 378 ASN C CG 1 ? ? +11668 ATOM O OD1 . ASN C 3 356 ? 45.405 -22.452 -84.316 1.00 67.24 ? 378 ASN C OD1 1 ? ? +11669 ATOM N ND2 . ASN C 3 356 ? 43.834 -22.648 -85.899 1.00 66.38 ? 378 ASN C ND2 1 ? ? +11670 ATOM C C . ASN C 3 356 ? 43.303 -26.699 -84.997 1.00 63.93 ? 378 ASN C C 1 ? ? +11671 ATOM O O . ASN C 3 356 ? 42.691 -27.008 -86.015 1.00 64.26 ? 378 ASN C O 1 ? ? +11672 ATOM N N . LYS C 3 357 ? 43.890 -27.588 -84.191 1.00 63.68 ? 379 LYS C N 1 ? ? +11673 ATOM C CA . LYS C 3 357 ? 43.802 -29.015 -84.448 1.00 63.55 ? 379 LYS C CA 1 ? ? +11674 ATOM C CB . LYS C 3 357 ? 44.713 -29.792 -83.498 1.00 63.47 ? 379 LYS C CB 1 ? ? +11675 ATOM C CG . LYS C 3 357 ? 46.178 -29.552 -83.761 1.00 64.38 ? 379 LYS C CG 1 ? ? +11676 ATOM C CD . LYS C 3 357 ? 47.045 -30.317 -82.791 1.00 64.45 ? 379 LYS C CD 1 ? ? +11677 ATOM C CE . LYS C 3 357 ? 48.481 -29.947 -82.812 1.00 65.11 ? 379 LYS C CE 1 ? ? +11678 ATOM N NZ . LYS C 3 357 ? 49.057 -30.298 -84.109 1.00 66.22 ? 379 LYS C NZ 1 ? ? +11679 ATOM C C . LYS C 3 357 ? 42.359 -29.502 -84.333 1.00 62.69 ? 379 LYS C C 1 ? ? +11680 ATOM O O . LYS C 3 357 ? 41.942 -30.386 -85.073 1.00 62.60 ? 379 LYS C O 1 ? ? +11681 ATOM N N . ILE C 3 358 ? 41.596 -28.919 -83.406 1.00 62.17 ? 380 ILE C N 1 ? ? +11682 ATOM C CA . ILE C 3 358 ? 40.185 -29.246 -83.276 1.00 61.71 ? 380 ILE C CA 1 ? ? +11683 ATOM C CB . ILE C 3 358 ? 39.595 -28.627 -81.999 1.00 61.07 ? 380 ILE C CB 1 ? ? +11684 ATOM C CG1 . ILE C 3 358 ? 40.118 -29.382 -80.759 1.00 60.88 ? 380 ILE C CG1 1 ? ? +11685 ATOM C CG2 . ILE C 3 358 ? 38.073 -28.627 -82.036 1.00 60.52 ? 380 ILE C CG2 1 ? ? +11686 ATOM C CD1 . ILE C 3 358 ? 39.919 -28.662 -79.488 1.00 60.53 ? 380 ILE C CD1 1 ? ? +11687 ATOM C C . ILE C 3 358 ? 39.415 -28.843 -84.531 1.00 62.07 ? 380 ILE C C 1 ? ? +11688 ATOM O O . ILE C 3 358 ? 38.658 -29.638 -85.070 1.00 61.95 ? 380 ILE C O 1 ? ? +11689 ATOM N N . LYS C 3 359 ? 39.640 -27.621 -85.016 1.00 62.68 ? 381 LYS C N 1 ? ? +11690 ATOM C CA . LYS C 3 359 ? 38.967 -27.143 -86.211 1.00 63.37 ? 381 LYS C CA 1 ? ? +11691 ATOM C CB . LYS C 3 359 ? 39.264 -25.658 -86.423 1.00 63.90 ? 381 LYS C CB 1 ? ? +11692 ATOM C CG . LYS C 3 359 ? 38.601 -24.732 -85.429 1.00 63.49 ? 381 LYS C CG 1 ? ? +11693 ATOM C CD . LYS C 3 359 ? 38.842 -23.307 -85.822 1.00 64.30 ? 381 LYS C CD 1 ? ? +11694 ATOM C CE . LYS C 3 359 ? 38.367 -22.309 -84.808 1.00 64.28 ? 381 LYS C CE 1 ? ? +11695 ATOM N NZ . LYS C 3 359 ? 38.770 -20.913 -85.195 1.00 65.21 ? 381 LYS C NZ 1 ? ? +11696 ATOM C C . LYS C 3 359 ? 39.307 -27.880 -87.509 1.00 64.39 ? 381 LYS C C 1 ? ? +11697 ATOM O O . LYS C 3 359 ? 38.476 -27.943 -88.411 1.00 64.84 ? 381 LYS C O 1 ? ? +11698 ATOM N N . ASN C 3 360 ? 40.524 -28.425 -87.627 1.00 65.08 ? 382 ASN C N 1 ? ? +11699 ATOM C CA . ASN C 3 360 ? 41.018 -28.912 -88.910 1.00 65.91 ? 382 ASN C CA 1 ? ? +11700 ATOM C CB . ASN C 3 360 ? 42.240 -28.110 -89.315 1.00 67.08 ? 382 ASN C CB 1 ? ? +11701 ATOM C CG . ASN C 3 360 ? 41.951 -26.640 -89.406 1.00 67.76 ? 382 ASN C CG 1 ? ? +11702 ATOM O OD1 . ASN C 3 360 ? 41.290 -26.169 -90.331 1.00 68.79 ? 382 ASN C OD1 1 ? ? +11703 ATOM N ND2 . ASN C 3 360 ? 42.451 -25.858 -88.468 1.00 67.85 ? 382 ASN C ND2 1 ? ? +11704 ATOM C C . ASN C 3 360 ? 41.399 -30.388 -89.007 1.00 65.77 ? 382 ASN C C 1 ? ? +11705 ATOM O O . ASN C 3 360 ? 41.311 -30.953 -90.091 1.00 66.01 ? 382 ASN C O 1 ? ? +11706 ATOM N N . ASP C 3 361 ? 41.821 -31.001 -87.892 1.00 65.45 ? 383 ASP C N 1 ? ? +11707 ATOM C CA . ASP C 3 361 ? 42.527 -32.275 -87.934 1.00 65.88 ? 383 ASP C CA 1 ? ? +11708 ATOM C CB . ASP C 3 361 ? 43.893 -32.113 -87.275 1.00 66.47 ? 383 ASP C CB 1 ? ? +11709 ATOM C CG . ASP C 3 361 ? 44.787 -31.107 -87.924 1.00 67.75 ? 383 ASP C CG 1 ? ? +11710 ATOM O OD1 . ASP C 3 361 ? 44.627 -30.855 -89.136 1.00 68.71 ? 383 ASP C OD1 1 ? ? +11711 ATOM O OD2 . ASP C 3 361 ? 45.634 -30.568 -87.232 1.00 68.72 ? 383 ASP C OD2 1 ? ? +11712 ATOM C C . ASP C 3 361 ? 41.852 -33.460 -87.247 1.00 65.07 ? 383 ASP C C 1 ? ? +11713 ATOM O O . ASP C 3 361 ? 42.493 -34.500 -87.072 1.00 64.99 ? 383 ASP C O 1 ? ? +11714 ATOM N N . ILE C 3 362 ? 40.577 -33.306 -86.863 1.00 63.99 ? 384 ILE C N 1 ? ? +11715 ATOM C CA . ILE C 3 362 ? 39.835 -34.416 -86.288 1.00 63.36 ? 384 ILE C CA 1 ? ? +11716 ATOM C CB . ILE C 3 362 ? 38.552 -33.978 -85.547 1.00 62.68 ? 384 ILE C CB 1 ? ? +11717 ATOM C CG1 . ILE C 3 362 ? 38.870 -32.896 -84.493 1.00 62.22 ? 384 ILE C CG1 1 ? ? +11718 ATOM C CG2 . ILE C 3 362 ? 37.841 -35.197 -84.952 1.00 62.29 ? 384 ILE C CG2 1 ? ? +11719 ATOM C CD1 . ILE C 3 362 ? 37.877 -32.693 -83.406 1.00 61.34 ? 384 ILE C CD1 1 ? ? +11720 ATOM C C . ILE C 3 362 ? 39.518 -35.408 -87.402 1.00 63.72 ? 384 ILE C C 1 ? ? +11721 ATOM O O . ILE C 3 362 ? 38.810 -35.075 -88.345 1.00 63.99 ? 384 ILE C O 1 ? ? +11722 ATOM N N . GLN C 3 363 ? 40.076 -36.618 -87.287 1.00 63.88 ? 385 GLN C N 1 ? ? +11723 ATOM C CA . GLN C 3 363 ? 39.873 -37.671 -88.265 1.00 64.05 ? 385 GLN C CA 1 ? ? +11724 ATOM C CB . GLN C 3 363 ? 41.092 -38.586 -88.296 1.00 65.28 ? 385 GLN C CB 1 ? ? +11725 ATOM C CG . GLN C 3 363 ? 42.342 -37.875 -88.751 1.00 66.69 ? 385 GLN C CG 1 ? ? +11726 ATOM C CD . GLN C 3 363 ? 42.063 -37.203 -90.059 1.00 68.10 ? 385 GLN C CD 1 ? ? +11727 ATOM O OE1 . GLN C 3 363 ? 41.645 -37.858 -91.034 1.00 68.96 ? 385 GLN C OE1 1 ? ? +11728 ATOM N NE2 . GLN C 3 363 ? 42.247 -35.884 -90.117 1.00 68.77 ? 385 GLN C NE2 1 ? ? +11729 ATOM C C . GLN C 3 363 ? 38.623 -38.468 -87.915 1.00 62.53 ? 385 GLN C C 1 ? ? +11730 ATOM O O . GLN C 3 363 ? 38.199 -38.474 -86.765 1.00 61.82 ? 385 GLN C O 1 ? ? +11731 ATOM N N . PRO C 3 364 ? 37.980 -39.141 -88.895 1.00 61.79 ? 386 PRO C N 1 ? ? +11732 ATOM C CA . PRO C 3 364 ? 36.818 -39.988 -88.615 1.00 60.85 ? 386 PRO C CA 1 ? ? +11733 ATOM C CB . PRO C 3 364 ? 36.460 -40.551 -89.991 1.00 61.43 ? 386 PRO C CB 1 ? ? +11734 ATOM C CG . PRO C 3 364 ? 37.040 -39.563 -90.955 1.00 62.17 ? 386 PRO C CG 1 ? ? +11735 ATOM C CD . PRO C 3 364 ? 38.305 -39.084 -90.327 1.00 62.34 ? 386 PRO C CD 1 ? ? +11736 ATOM C C . PRO C 3 364 ? 37.053 -41.105 -87.597 1.00 60.02 ? 386 PRO C C 1 ? ? +11737 ATOM O O . PRO C 3 364 ? 36.138 -41.451 -86.860 1.00 59.23 ? 386 PRO C O 1 ? ? +11738 ATOM N N . TRP C 3 365 ? 38.274 -41.661 -87.532 1.00 59.91 ? 387 TRP C N 1 ? ? +11739 ATOM C CA . TRP C 3 365 ? 38.537 -42.751 -86.601 1.00 59.33 ? 387 TRP C CA 1 ? ? +11740 ATOM C CB . TRP C 3 365 ? 39.889 -43.437 -86.890 1.00 59.87 ? 387 TRP C CB 1 ? ? +11741 ATOM C CG . TRP C 3 365 ? 41.098 -42.609 -86.600 1.00 60.08 ? 387 TRP C CG 1 ? ? +11742 ATOM C CD1 . TRP C 3 365 ? 41.779 -41.815 -87.474 1.00 60.65 ? 387 TRP C CD1 1 ? ? +11743 ATOM N NE1 . TRP C 3 365 ? 42.840 -41.221 -86.842 1.00 60.70 ? 387 TRP C NE1 1 ? ? +11744 ATOM C CE2 . TRP C 3 365 ? 42.880 -41.647 -85.542 1.00 60.14 ? 387 TRP C CE2 1 ? ? +11745 ATOM C CZ2 . TRP C 3 365 ? 43.770 -41.339 -84.521 1.00 60.00 ? 387 TRP C CZ2 1 ? ? +11746 ATOM C CH2 . TRP C 3 365 ? 43.552 -41.925 -83.300 1.00 59.44 ? 387 TRP C CH2 1 ? ? +11747 ATOM C CZ3 . TRP C 3 365 ? 42.490 -42.804 -83.085 1.00 59.01 ? 387 TRP C CZ3 1 ? ? +11748 ATOM C CE3 . TRP C 3 365 ? 41.611 -43.114 -84.096 1.00 59.17 ? 387 TRP C CE3 1 ? ? +11749 ATOM C CD2 . TRP C 3 365 ? 41.799 -42.529 -85.356 1.00 59.73 ? 387 TRP C CD2 1 ? ? +11750 ATOM C C . TRP C 3 365 ? 38.442 -42.300 -85.145 1.00 58.36 ? 387 TRP C C 1 ? ? +11751 ATOM O O . TRP C 3 365 ? 38.110 -43.100 -84.271 1.00 57.88 ? 387 TRP C O 1 ? ? +11752 ATOM N N . GLN C 3 366 ? 38.728 -41.013 -84.904 1.00 58.04 ? 388 GLN C N 1 ? ? +11753 ATOM C CA . GLN C 3 366 ? 38.600 -40.408 -83.588 1.00 57.25 ? 388 GLN C CA 1 ? ? +11754 ATOM C CB . GLN C 3 366 ? 39.352 -39.069 -83.540 1.00 57.46 ? 388 GLN C CB 1 ? ? +11755 ATOM C CG . GLN C 3 366 ? 40.853 -39.243 -83.697 1.00 58.15 ? 388 GLN C CG 1 ? ? +11756 ATOM C CD . GLN C 3 366 ? 41.581 -37.935 -83.840 1.00 58.48 ? 388 GLN C CD 1 ? ? +11757 ATOM O OE1 . GLN C 3 366 ? 41.488 -37.265 -84.873 1.00 58.92 ? 388 GLN C OE1 1 ? ? +11758 ATOM N NE2 . GLN C 3 366 ? 42.340 -37.562 -82.815 1.00 58.38 ? 388 GLN C NE2 1 ? ? +11759 ATOM C C . GLN C 3 366 ? 37.134 -40.197 -83.214 1.00 56.43 ? 388 GLN C C 1 ? ? +11760 ATOM O O . GLN C 3 366 ? 36.740 -40.407 -82.073 1.00 55.73 ? 388 GLN C O 1 ? ? +11761 ATOM N N . GLU C 3 367 ? 36.329 -39.765 -84.183 1.00 56.44 ? 389 GLU C N 1 ? ? +11762 ATOM C CA . GLU C 3 367 ? 34.897 -39.658 -83.980 1.00 55.91 ? 389 GLU C CA 1 ? ? +11763 ATOM C CB . GLU C 3 367 ? 34.244 -39.005 -85.205 1.00 56.39 ? 389 GLU C CB 1 ? ? +11764 ATOM C CG . GLU C 3 367 ? 32.752 -38.766 -85.041 1.00 56.07 ? 389 GLU C CG 1 ? ? +11765 ATOM C CD . GLU C 3 367 ? 32.081 -38.087 -86.209 1.00 56.51 ? 389 GLU C CD 1 ? ? +11766 ATOM O OE1 . GLU C 3 367 ? 32.792 -37.652 -87.148 1.00 57.16 ? 389 GLU C OE1 1 ? ? +11767 ATOM O OE2 . GLU C 3 367 ? 30.831 -37.999 -86.186 1.00 56.33 ? 389 GLU C OE2 1 ? ? +11768 ATOM C C . GLU C 3 367 ? 34.273 -41.024 -83.686 1.00 55.50 ? 389 GLU C C 1 ? ? +11769 ATOM O O . GLU C 3 367 ? 33.453 -41.138 -82.790 1.00 54.94 ? 389 GLU C O 1 ? ? +11770 ATOM N N . ARG C 3 368 ? 34.669 -42.057 -84.440 1.00 55.84 ? 390 ARG C N 1 ? ? +11771 ATOM C CA . ARG C 3 368 ? 34.241 -43.425 -84.184 1.00 55.57 ? 390 ARG C CA 1 ? ? +11772 ATOM C CB . ARG C 3 368 ? 34.883 -44.436 -85.147 1.00 56.21 ? 390 ARG C CB 1 ? ? +11773 ATOM C CG . ARG C 3 368 ? 34.177 -44.611 -86.468 1.00 56.64 ? 390 ARG C CG 1 ? ? +11774 ATOM C CD . ARG C 3 368 ? 34.621 -45.876 -87.165 1.00 57.18 ? 390 ARG C CD 1 ? ? +11775 ATOM N NE . ARG C 3 368 ? 36.062 -45.931 -87.393 1.00 57.66 ? 390 ARG C NE 1 ? ? +11776 ATOM C CZ . ARG C 3 368 ? 36.696 -45.373 -88.415 1.00 58.19 ? 390 ARG C CZ 1 ? ? +11777 ATOM N NH1 . ARG C 3 368 ? 36.099 -44.501 -89.209 1.00 58.37 ? 390 ARG C NH1 1 ? ? +11778 ATOM N NH2 . ARG C 3 368 ? 37.961 -45.703 -88.649 1.00 58.62 ? 390 ARG C NH2 1 ? ? +11779 ATOM C C . ARG C 3 368 ? 34.596 -43.874 -82.773 1.00 55.03 ? 390 ARG C C 1 ? ? +11780 ATOM O O . ARG C 3 368 ? 33.725 -44.332 -82.037 1.00 54.57 ? 390 ARG C O 1 ? ? +11781 ATOM N N A ARG C 3 369 ? 35.883 -43.752 -82.422 0.50 55.08 ? 391 ARG C N 1 ? ? +11782 ATOM N N B ARG C 3 369 ? 35.884 -43.753 -82.421 0.50 55.17 ? 391 ARG C N 1 ? ? +11783 ATOM C CA A ARG C 3 369 ? 36.386 -44.220 -81.141 0.50 54.65 ? 391 ARG C CA 1 ? ? +11784 ATOM C CA B ARG C 3 369 ? 36.373 -44.188 -81.122 0.50 54.79 ? 391 ARG C CA 1 ? ? +11785 ATOM C C A ARG C 3 369 ? 35.649 -43.559 -79.980 0.50 53.81 ? 391 ARG C C 1 ? ? +11786 ATOM C C B ARG C 3 369 ? 35.635 -43.514 -79.971 0.50 53.90 ? 391 ARG C C 1 ? ? +11787 ATOM O O A ARG C 3 369 ? 35.255 -44.219 -79.023 0.50 53.42 ? 391 ARG C O 1 ? ? +11788 ATOM O O B ARG C 3 369 ? 35.249 -44.187 -79.017 0.50 53.51 ? 391 ARG C O 1 ? ? +11789 ATOM C CB A ARG C 3 369 ? 37.892 -43.937 -81.028 0.50 55.01 ? 391 ARG C CB 1 ? ? +11790 ATOM C CB B ARG C 3 369 ? 37.871 -43.912 -80.961 0.50 55.24 ? 391 ARG C CB 1 ? ? +11791 ATOM C CG A ARG C 3 369 ? 38.573 -44.716 -79.920 0.50 54.89 ? 391 ARG C CG 1 ? ? +11792 ATOM C CG B ARG C 3 369 ? 38.758 -45.080 -81.291 0.50 55.86 ? 391 ARG C CG 1 ? ? +11793 ATOM C CD A ARG C 3 369 ? 38.634 -46.197 -80.266 0.50 55.25 ? 391 ARG C CD 1 ? ? +11794 ATOM C CD B ARG C 3 369 ? 38.577 -46.305 -80.401 0.50 55.73 ? 391 ARG C CD 1 ? ? +11795 ATOM N NE A ARG C 3 369 ? 39.654 -46.547 -81.253 0.50 56.03 ? 391 ARG C NE 1 ? ? +11796 ATOM N NE B ARG C 3 369 ? 38.992 -47.469 -81.181 0.50 56.43 ? 391 ARG C NE 1 ? ? +11797 ATOM C CZ A ARG C 3 369 ? 40.959 -46.575 -81.018 0.50 56.39 ? 391 ARG C CZ 1 ? ? +11798 ATOM C CZ B ARG C 3 369 ? 38.154 -48.401 -81.617 0.50 56.60 ? 391 ARG C CZ 1 ? ? +11799 ATOM N NH1 A ARG C 3 369 ? 41.459 -46.238 -79.839 0.50 56.07 ? 391 ARG C NH1 1 ? ? +11800 ATOM N NH1 B ARG C 3 369 ? 38.189 -49.640 -81.148 0.50 56.66 ? 391 ARG C NH1 1 ? ? +11801 ATOM N NH2 A ARG C 3 369 ? 41.784 -46.935 -81.995 0.50 57.12 ? 391 ARG C NH2 1 ? ? +11802 ATOM N NH2 B ARG C 3 369 ? 37.330 -48.107 -82.622 0.50 56.74 ? 391 ARG C NH2 1 ? ? +11803 ATOM N N A ALA C 3 370 ? 35.469 -42.237 -80.079 0.40 53.55 ? 392 ALA C N 1 ? ? +11804 ATOM N N B ALA C 3 370 ? 35.466 -42.186 -80.065 0.60 53.61 ? 392 ALA C N 1 ? ? +11805 ATOM C CA A ALA C 3 370 ? 34.829 -41.462 -79.030 0.40 52.84 ? 392 ALA C CA 1 ? ? +11806 ATOM C CA B ALA C 3 370 ? 34.811 -41.413 -79.023 0.60 52.87 ? 392 ALA C CA 1 ? ? +11807 ATOM C C A ALA C 3 370 ? 33.365 -41.859 -78.838 0.40 52.38 ? 392 ALA C C 1 ? ? +11808 ATOM C C B ALA C 3 370 ? 33.351 -41.832 -78.837 0.60 52.38 ? 392 ALA C C 1 ? ? +11809 ATOM O O A ALA C 3 370 ? 32.887 -41.947 -77.711 0.40 51.84 ? 392 ALA C O 1 ? ? +11810 ATOM O O B ALA C 3 370 ? 32.870 -41.927 -77.712 0.60 51.83 ? 392 ALA C O 1 ? ? +11811 ATOM C CB A ALA C 3 370 ? 34.934 -39.977 -79.338 0.40 52.86 ? 392 ALA C CB 1 ? ? +11812 ATOM C CB B ALA C 3 370 ? 34.906 -39.933 -79.344 0.60 52.89 ? 392 ALA C CB 1 ? ? +11813 ATOM N N . ALA C 3 371 ? 32.660 -42.093 -79.951 1.00 52.60 ? 393 ALA C N 1 ? ? +11814 ATOM C CA . ALA C 3 371 ? 31.270 -42.530 -79.916 1.00 52.24 ? 393 ALA C CA 1 ? ? +11815 ATOM C CB . ALA C 3 371 ? 30.678 -42.513 -81.306 1.00 52.66 ? 393 ALA C CB 1 ? ? +11816 ATOM C C . ALA C 3 371 ? 31.146 -43.922 -79.302 1.00 52.00 ? 393 ALA C C 1 ? ? +11817 ATOM O O . ALA C 3 371 ? 30.246 -44.175 -78.507 1.00 51.57 ? 393 ALA C O 1 ? ? +11818 ATOM N N A GLU C 3 372 ? 32.077 -44.808 -79.670 0.40 52.39 ? 394 GLU C N 1 ? ? +11819 ATOM N N B GLU C 3 372 ? 32.069 -44.811 -79.676 0.60 52.34 ? 394 GLU C N 1 ? ? +11820 ATOM C CA A GLU C 3 372 ? 32.152 -46.147 -79.109 0.40 52.33 ? 394 GLU C CA 1 ? ? +11821 ATOM C CA B GLU C 3 372 ? 32.139 -46.147 -79.109 0.60 52.25 ? 394 GLU C CA 1 ? ? +11822 ATOM C C A GLU C 3 372 ? 32.361 -46.109 -77.598 0.40 51.78 ? 394 GLU C C 1 ? ? +11823 ATOM C C B GLU C 3 372 ? 32.363 -46.099 -77.600 0.60 51.66 ? 394 GLU C C 1 ? ? +11824 ATOM O O A GLU C 3 372 ? 31.686 -46.812 -76.852 0.40 51.46 ? 394 GLU C O 1 ? ? +11825 ATOM O O B GLU C 3 372 ? 31.696 -46.795 -76.841 0.60 51.33 ? 394 GLU C O 1 ? ? +11826 ATOM C CB A GLU C 3 372 ? 33.302 -46.927 -79.783 0.40 52.94 ? 394 GLU C CB 1 ? ? +11827 ATOM C CB B GLU C 3 372 ? 33.274 -46.946 -79.797 0.60 52.86 ? 394 GLU C CB 1 ? ? +11828 ATOM C CG A GLU C 3 372 ? 33.511 -48.333 -79.247 0.40 52.98 ? 394 GLU C CG 1 ? ? +11829 ATOM C CG B GLU C 3 372 ? 33.477 -48.356 -79.269 0.60 52.91 ? 394 GLU C CG 1 ? ? +11830 ATOM C CD A GLU C 3 372 ? 32.349 -49.275 -79.484 0.40 52.98 ? 394 GLU C CD 1 ? ? +11831 ATOM C CD B GLU C 3 372 ? 32.322 -49.311 -79.496 0.60 52.90 ? 394 GLU C CD 1 ? ? +11832 ATOM O OE1 A GLU C 3 372 ? 31.409 -48.872 -80.208 0.40 53.02 ? 394 GLU C OE1 1 ? ? +11833 ATOM O OE1 B GLU C 3 372 ? 31.391 -48.947 -80.252 0.60 52.97 ? 394 GLU C OE1 1 ? ? +11834 ATOM O OE2 A GLU C 3 372 ? 32.364 -50.402 -78.936 0.40 52.95 ? 394 GLU C OE2 1 ? ? +11835 ATOM O OE2 B GLU C 3 372 ? 32.340 -50.419 -78.909 0.60 52.86 ? 394 GLU C OE2 1 ? ? +11836 ATOM N N A TYR C 3 373 ? 33.304 -45.280 -77.147 0.40 51.69 ? 395 TYR C N 1 ? ? +11837 ATOM N N B TYR C 3 373 ? 33.315 -45.270 -77.166 0.60 51.56 ? 395 TYR C N 1 ? ? +11838 ATOM C CA A TYR C 3 373 ? 33.672 -45.266 -75.742 0.40 51.26 ? 395 TYR C CA 1 ? ? +11839 ATOM C CA B TYR C 3 373 ? 33.698 -45.243 -75.765 0.60 51.11 ? 395 TYR C CA 1 ? ? +11840 ATOM C C A TYR C 3 373 ? 32.595 -44.585 -74.905 0.40 50.63 ? 395 TYR C C 1 ? ? +11841 ATOM C C B TYR C 3 373 ? 32.658 -44.535 -74.906 0.60 50.47 ? 395 TYR C C 1 ? ? +11842 ATOM O O A TYR C 3 373 ? 32.289 -45.025 -73.802 0.40 50.26 ? 395 TYR C O 1 ? ? +11843 ATOM O O B TYR C 3 373 ? 32.408 -44.938 -73.774 0.60 50.09 ? 395 TYR C O 1 ? ? +11844 ATOM C CB A TYR C 3 373 ? 35.038 -44.603 -75.547 0.40 51.43 ? 395 TYR C CB 1 ? ? +11845 ATOM C CB B TYR C 3 373 ? 35.077 -44.605 -75.599 0.60 51.28 ? 395 TYR C CB 1 ? ? +11846 ATOM C CG A TYR C 3 373 ? 36.181 -45.505 -75.939 0.40 51.95 ? 395 TYR C CG 1 ? ? +11847 ATOM C CG B TYR C 3 373 ? 36.222 -45.510 -75.992 0.60 51.82 ? 395 TYR C CG 1 ? ? +11848 ATOM C CD1 A TYR C 3 373 ? 35.967 -46.843 -76.227 0.40 52.17 ? 395 TYR C CD1 1 ? ? +11849 ATOM C CD1 B TYR C 3 373 ? 36.010 -46.849 -76.293 0.60 52.03 ? 395 TYR C CD1 1 ? ? +11850 ATOM C CD2 A TYR C 3 373 ? 37.476 -45.019 -76.032 0.40 52.29 ? 395 TYR C CD2 1 ? ? +11851 ATOM C CD2 B TYR C 3 373 ? 37.520 -45.027 -76.064 0.60 52.15 ? 395 TYR C CD2 1 ? ? +11852 ATOM C CE1 A TYR C 3 373 ? 37.014 -47.680 -76.586 0.40 52.68 ? 395 TYR C CE1 1 ? ? +11853 ATOM C CE1 B TYR C 3 373 ? 37.059 -47.685 -76.641 0.60 52.55 ? 395 TYR C CE1 1 ? ? +11854 ATOM C CE2 A TYR C 3 373 ? 38.531 -45.843 -76.390 0.40 52.81 ? 395 TYR C CE2 1 ? ? +11855 ATOM C CE2 B TYR C 3 373 ? 38.576 -45.849 -76.421 0.60 52.68 ? 395 TYR C CE2 1 ? ? +11856 ATOM C CZ A TYR C 3 373 ? 38.299 -47.176 -76.669 0.40 53.01 ? 395 TYR C CZ 1 ? ? +11857 ATOM C CZ B TYR C 3 373 ? 38.346 -47.180 -76.704 0.60 52.89 ? 395 TYR C CZ 1 ? ? +11858 ATOM O OH A TYR C 3 373 ? 39.359 -47.983 -77.030 0.40 53.57 ? 395 TYR C OH 1 ? ? +11859 ATOM O OH B TYR C 3 373 ? 39.411 -47.983 -77.059 0.60 53.44 ? 395 TYR C OH 1 ? ? +11860 ATOM N N A MET C 3 374 ? 32.023 -43.512 -75.450 0.40 50.57 ? 396 MET C N 1 ? ? +11861 ATOM N N B MET C 3 374 ? 32.055 -43.484 -75.459 0.60 50.40 ? 396 MET C N 1 ? ? +11862 ATOM C CA A MET C 3 374 ? 30.970 -42.781 -74.770 0.40 50.05 ? 396 MET C CA 1 ? ? +11863 ATOM C CA B MET C 3 374 ? 30.995 -42.765 -74.775 0.60 49.87 ? 396 MET C CA 1 ? ? +11864 ATOM C C A MET C 3 374 ? 29.763 -43.690 -74.537 0.40 49.81 ? 396 MET C C 1 ? ? +11865 ATOM C C B MET C 3 374 ? 29.801 -43.689 -74.517 0.60 49.62 ? 396 MET C C 1 ? ? +11866 ATOM O O A MET C 3 374 ? 29.057 -43.553 -73.543 0.40 49.33 ? 396 MET C O 1 ? ? +11867 ATOM O O B MET C 3 374 ? 29.151 -43.589 -73.482 0.60 49.14 ? 396 MET C O 1 ? ? +11868 ATOM C CB A MET C 3 374 ? 30.578 -41.554 -75.599 0.40 50.16 ? 396 MET C CB 1 ? ? +11869 ATOM C CB B MET C 3 374 ? 30.586 -41.541 -75.609 0.60 50.00 ? 396 MET C CB 1 ? ? +11870 ATOM C CG A MET C 3 374 ? 29.197 -41.072 -75.298 0.40 49.81 ? 396 MET C CG 1 ? ? +11871 ATOM C CG B MET C 3 374 ? 29.209 -41.070 -75.309 0.60 49.66 ? 396 MET C CG 1 ? ? +11872 ATOM S SD A MET C 3 374 ? 28.584 -39.865 -76.478 0.40 50.06 ? 396 MET C SD 1 ? ? +11873 ATOM S SD B MET C 3 374 ? 28.635 -39.774 -76.405 0.60 49.91 ? 396 MET C SD 1 ? ? +11874 ATOM C CE A MET C 3 374 ? 26.876 -39.694 -75.843 0.40 49.56 ? 396 MET C CE 1 ? ? +11875 ATOM C CE B MET C 3 374 ? 26.911 -39.673 -75.802 0.60 49.43 ? 396 MET C CE 1 ? ? +11876 ATOM N N A THR C 3 375 ? 29.540 -44.632 -75.461 0.40 50.16 ? 397 THR C N 1 ? ? +11877 ATOM N N B THR C 3 375 ? 29.525 -44.596 -75.464 0.60 49.95 ? 397 THR C N 1 ? ? +11878 ATOM C CA A THR C 3 375 ? 28.401 -45.533 -75.379 0.40 50.03 ? 397 THR C CA 1 ? ? +11879 ATOM C CA B THR C 3 375 ? 28.394 -45.507 -75.370 0.60 49.80 ? 397 THR C CA 1 ? ? +11880 ATOM C C A THR C 3 375 ? 28.750 -46.888 -74.771 0.40 50.03 ? 397 THR C C 1 ? ? +11881 ATOM C C B THR C 3 375 ? 28.732 -46.859 -74.748 0.60 49.79 ? 397 THR C C 1 ? ? +11882 ATOM O O A THR C 3 375 ? 27.941 -47.811 -74.806 0.40 50.04 ? 397 THR C O 1 ? ? +11883 ATOM O O B THR C 3 375 ? 27.894 -47.756 -74.726 0.60 49.76 ? 397 THR C O 1 ? ? +11884 ATOM C CB A THR C 3 375 ? 27.793 -45.735 -76.751 0.40 50.45 ? 397 THR C CB 1 ? ? +11885 ATOM C CB B THR C 3 375 ? 27.791 -45.726 -76.745 0.60 50.23 ? 397 THR C CB 1 ? ? +11886 ATOM O OG1 A THR C 3 375 ? 28.806 -46.200 -77.634 0.40 50.98 ? 397 THR C OG1 1 ? ? +11887 ATOM O OG1 B THR C 3 375 ? 28.807 -46.193 -77.621 0.60 50.76 ? 397 THR C OG1 1 ? ? +11888 ATOM C CG2 A THR C 3 375 ? 27.176 -44.462 -77.293 0.40 50.40 ? 397 THR C CG2 1 ? ? +11889 ATOM C CG2 B THR C 3 375 ? 27.170 -44.463 -77.302 0.60 50.19 ? 397 THR C CG2 1 ? ? +11890 ATOM N N A HIS C 3 376 ? 29.964 -46.995 -74.220 0.40 50.03 ? 398 HIS C N 1 ? ? +11891 ATOM N N B HIS C 3 376 ? 29.967 -47.000 -74.248 0.60 49.81 ? 398 HIS C N 1 ? ? +11892 ATOM C CA A HIS C 3 376 ? 30.344 -48.159 -73.440 0.40 49.99 ? 398 HIS C CA 1 ? ? +11893 ATOM C CA B HIS C 3 376 ? 30.352 -48.165 -73.473 0.60 49.76 ? 398 HIS C CA 1 ? ? +11894 ATOM C C A HIS C 3 376 ? 30.977 -47.698 -72.133 0.40 49.62 ? 398 HIS C C 1 ? ? +11895 ATOM C C B HIS C 3 376 ? 30.995 -47.707 -72.171 0.60 49.39 ? 398 HIS C C 1 ? ? +11896 ATOM O O A HIS C 3 376 ? 31.863 -48.357 -71.600 0.40 49.76 ? 398 HIS C O 1 ? ? +11897 ATOM O O B HIS C 3 376 ? 31.925 -48.338 -71.681 0.60 49.54 ? 398 HIS C O 1 ? ? +11898 ATOM C CB A HIS C 3 376 ? 31.283 -49.090 -74.222 0.40 50.54 ? 398 HIS C CB 1 ? ? +11899 ATOM C CB B HIS C 3 376 ? 31.287 -49.081 -74.270 0.60 50.30 ? 398 HIS C CB 1 ? ? +11900 ATOM C CG A HIS C 3 376 ? 30.639 -49.766 -75.396 0.40 50.89 ? 398 HIS C CG 1 ? ? +11901 ATOM C CG B HIS C 3 376 ? 30.633 -49.765 -75.434 0.60 50.64 ? 398 HIS C CG 1 ? ? +11902 ATOM N ND1 A HIS C 3 376 ? 30.408 -49.092 -76.576 0.40 51.12 ? 398 HIS C ND1 1 ? ? +11903 ATOM N ND1 B HIS C 3 376 ? 30.377 -49.098 -76.610 0.60 50.87 ? 398 HIS C ND1 1 ? ? +11904 ATOM C CD2 A HIS C 3 376 ? 30.221 -51.042 -75.539 0.40 51.07 ? 398 HIS C CD2 1 ? ? +11905 ATOM C CD2 B HIS C 3 376 ? 30.228 -51.044 -75.567 0.60 50.82 ? 398 HIS C CD2 1 ? ? +11906 ATOM C CE1 A HIS C 3 376 ? 29.839 -49.965 -77.393 0.40 51.44 ? 398 HIS C CE1 1 ? ? +11907 ATOM C CE1 B HIS C 3 376 ? 29.804 -49.978 -77.414 0.60 51.18 ? 398 HIS C CE1 1 ? ? +11908 ATOM N NE2 A HIS C 3 376 ? 29.709 -51.156 -76.805 0.40 51.42 ? 398 HIS C NE2 1 ? ? +11909 ATOM N NE2 B HIS C 3 376 ? 29.701 -51.166 -76.822 0.60 51.17 ? 398 HIS C NE2 1 ? ? +11910 ATOM N N A ALA C 3 377 ? 30.502 -46.558 -71.622 0.40 49.20 ? 399 ALA C N 1 ? ? +11911 ATOM N N B ALA C 3 377 ? 30.469 -46.611 -71.612 0.60 48.93 ? 399 ALA C N 1 ? ? +11912 ATOM C CA A ALA C 3 377 ? 30.944 -46.069 -70.329 0.40 48.83 ? 399 ALA C CA 1 ? ? +11913 ATOM C CA B ALA C 3 377 ? 30.941 -46.105 -70.337 0.60 48.58 ? 399 ALA C CA 1 ? ? +11914 ATOM C C A ALA C 3 377 ? 30.774 -47.184 -69.304 0.40 48.68 ? 399 ALA C C 1 ? ? +11915 ATOM C C B ALA C 3 377 ? 30.775 -47.181 -69.271 0.60 48.42 ? 399 ALA C C 1 ? ? +11916 ATOM O O A ALA C 3 377 ? 29.842 -47.974 -69.407 0.40 48.68 ? 399 ALA C O 1 ? ? +11917 ATOM O O B ALA C 3 377 ? 29.819 -47.945 -69.320 0.60 48.42 ? 399 ALA C O 1 ? ? +11918 ATOM C CB A ALA C 3 377 ? 30.165 -44.834 -69.920 0.40 48.37 ? 399 ALA C CB 1 ? ? +11919 ATOM C CB B ALA C 3 377 ? 30.196 -44.845 -69.946 0.60 48.15 ? 399 ALA C CB 1 ? ? +11920 ATOM N N A PRO C 3 378 ? 31.683 -47.307 -68.309 0.40 48.62 ? 400 PRO C N 1 ? ? +11921 ATOM N N B PRO C 3 378 ? 31.705 -47.295 -68.295 0.60 48.35 ? 400 PRO C N 1 ? ? +11922 ATOM C CA A PRO C 3 378 ? 31.541 -48.325 -67.267 0.40 48.48 ? 400 PRO C CA 1 ? ? +11923 ATOM C CA B PRO C 3 378 ? 31.588 -48.302 -67.238 0.60 48.22 ? 400 PRO C CA 1 ? ? +11924 ATOM C C A PRO C 3 378 ? 30.444 -47.999 -66.256 0.40 47.95 ? 400 PRO C C 1 ? ? +11925 ATOM C C B PRO C 3 378 ? 30.491 -47.967 -66.229 0.60 47.68 ? 400 PRO C C 1 ? ? +11926 ATOM O O A PRO C 3 378 ? 30.725 -47.764 -65.082 0.40 47.64 ? 400 PRO C O 1 ? ? +11927 ATOM O O B PRO C 3 378 ? 30.777 -47.641 -65.080 0.60 47.36 ? 400 PRO C O 1 ? ? +11928 ATOM C CB A PRO C 3 378 ? 32.931 -48.359 -66.627 0.40 48.62 ? 400 PRO C CB 1 ? ? +11929 ATOM C CB B PRO C 3 378 ? 32.990 -48.309 -66.621 0.60 48.35 ? 400 PRO C CB 1 ? ? +11930 ATOM C CG A PRO C 3 378 ? 33.477 -46.975 -66.845 0.40 48.56 ? 400 PRO C CG 1 ? ? +11931 ATOM C CG B PRO C 3 378 ? 33.492 -46.913 -66.843 0.60 48.28 ? 400 PRO C CG 1 ? ? +11932 ATOM C CD A PRO C 3 378 ? 32.904 -46.495 -68.157 0.40 48.70 ? 400 PRO C CD 1 ? ? +11933 ATOM C CD B PRO C 3 378 ? 32.927 -46.482 -68.171 0.60 48.44 ? 400 PRO C CD 1 ? ? +11934 ATOM N N A LEU C 3 379 ? 29.196 -47.982 -66.744 0.40 47.87 ? 401 LEU C N 1 ? ? +11935 ATOM N N B LEU C 3 379 ? 29.237 -48.039 -66.696 0.60 47.63 ? 401 LEU C N 1 ? ? +11936 ATOM C CA A LEU C 3 379 ? 28.012 -47.829 -65.910 0.40 47.46 ? 401 LEU C CA 1 ? ? +11937 ATOM C CA B LEU C 3 379 ? 28.054 -47.852 -65.865 0.60 47.21 ? 401 LEU C CA 1 ? ? +11938 ATOM C C A LEU C 3 379 ? 27.046 -48.953 -66.258 0.40 47.63 ? 401 LEU C C 1 ? ? +11939 ATOM C C B LEU C 3 379 ? 27.069 -48.951 -66.236 0.60 47.38 ? 401 LEU C C 1 ? ? +11940 ATOM O O A LEU C 3 379 ? 26.807 -49.230 -67.430 0.40 47.95 ? 401 LEU C O 1 ? ? +11941 ATOM O O B LEU C 3 379 ? 26.813 -49.186 -67.413 0.60 47.69 ? 401 LEU C O 1 ? ? +11942 ATOM C CB A LEU C 3 379 ? 27.311 -46.489 -66.133 0.40 47.20 ? 401 LEU C CB 1 ? ? +11943 ATOM C CB B LEU C 3 379 ? 27.381 -46.495 -66.076 0.60 46.94 ? 401 LEU C CB 1 ? ? +11944 ATOM C CG A LEU C 3 379 ? 27.991 -45.251 -65.562 0.40 46.97 ? 401 LEU C CG 1 ? ? +11945 ATOM C CG B LEU C 3 379 ? 28.094 -45.265 -65.512 0.60 46.72 ? 401 LEU C CG 1 ? ? +11946 ATOM C CD1 A LEU C 3 379 ? 29.165 -44.816 -66.411 0.40 47.32 ? 401 LEU C CD1 1 ? ? +11947 ATOM C CD1 B LEU C 3 379 ? 29.239 -44.816 -66.400 0.60 47.07 ? 401 LEU C CD1 1 ? ? +11948 ATOM C CD2 A LEU C 3 379 ? 27.018 -44.112 -65.440 0.40 46.63 ? 401 LEU C CD2 1 ? ? +11949 ATOM C CD2 B LEU C 3 379 ? 27.140 -44.115 -65.334 0.60 46.36 ? 401 LEU C CD2 1 ? ? +11950 ATOM N N A GLY C 3 380 ? 26.495 -49.598 -65.231 0.40 47.45 ? 402 GLY C N 1 ? ? +11951 ATOM N N B GLY C 3 380 ? 26.519 -49.621 -65.224 0.60 47.22 ? 402 GLY C N 1 ? ? +11952 ATOM C CA A GLY C 3 380 ? 25.589 -50.714 -65.436 0.40 47.64 ? 402 GLY C CA 1 ? ? +11953 ATOM C CA B GLY C 3 380 ? 25.597 -50.720 -65.449 0.60 47.41 ? 402 GLY C CA 1 ? ? +11954 ATOM C C A GLY C 3 380 ? 25.108 -51.289 -64.111 0.40 47.43 ? 402 GLY C C 1 ? ? +11955 ATOM C C B GLY C 3 380 ? 25.098 -51.294 -64.130 0.60 47.22 ? 402 GLY C C 1 ? ? +11956 ATOM O O A GLY C 3 380 ? 25.687 -51.009 -63.063 0.40 47.20 ? 402 GLY C O 1 ? ? +11957 ATOM O O B GLY C 3 380 ? 25.678 -51.028 -63.079 0.60 46.98 ? 402 GLY C O 1 ? ? +11958 ATOM N N A SER C 3 381 ? 24.044 -52.096 -64.182 0.40 47.59 ? 403 SER C N 1 ? ? +11959 ATOM N N B SER C 3 381 ? 24.022 -52.085 -64.211 0.60 47.39 ? 403 SER C N 1 ? ? +11960 ATOM C CA A SER C 3 381 ? 23.417 -52.656 -62.999 0.40 47.44 ? 403 SER C CA 1 ? ? +11961 ATOM C CA B SER C 3 381 ? 23.384 -52.648 -63.034 0.60 47.27 ? 403 SER C CA 1 ? ? +11962 ATOM C C A SER C 3 381 ? 23.961 -54.050 -62.716 0.40 47.83 ? 403 SER C C 1 ? ? +11963 ATOM C C B SER C 3 381 ? 23.941 -54.034 -62.734 0.60 47.67 ? 403 SER C C 1 ? ? +11964 ATOM O O A SER C 3 381 ? 24.580 -54.670 -63.574 0.40 48.22 ? 403 SER C O 1 ? ? +11965 ATOM O O B SER C 3 381 ? 24.569 -54.656 -63.584 0.60 48.06 ? 403 SER C O 1 ? ? +11966 ATOM C CB A SER C 3 381 ? 21.904 -52.715 -63.164 0.40 47.38 ? 403 SER C CB 1 ? ? +11967 ATOM C CB B SER C 3 381 ? 21.873 -52.716 -63.216 0.60 47.20 ? 403 SER C CB 1 ? ? +11968 ATOM O OG A SER C 3 381 ? 21.567 -53.661 -64.161 0.40 47.81 ? 403 SER C OG 1 ? ? +11969 ATOM O OG B SER C 3 381 ? 21.535 -53.663 -64.210 0.60 47.64 ? 403 SER C OG 1 ? ? +11970 ATOM N N A LEU C 3 382 ? 23.697 -54.535 -61.502 0.40 47.77 ? 404 LEU C N 1 ? ? +11971 ATOM N N B LEU C 3 382 ? 23.678 -54.513 -61.519 0.60 47.63 ? 404 LEU C N 1 ? ? +11972 ATOM C CA A LEU C 3 382 ? 24.186 -55.825 -61.053 0.40 48.15 ? 404 LEU C CA 1 ? ? +11973 ATOM C CA B LEU C 3 382 ? 24.176 -55.797 -61.062 0.60 48.03 ? 404 LEU C CA 1 ? ? +11974 ATOM C C A LEU C 3 382 ? 23.693 -56.969 -61.940 0.40 48.64 ? 404 LEU C C 1 ? ? +11975 ATOM C C B LEU C 3 382 ? 23.691 -56.960 -61.928 0.60 48.53 ? 404 LEU C C 1 ? ? +11976 ATOM O O A LEU C 3 382 ? 24.398 -57.964 -62.120 0.40 49.01 ? 404 LEU C O 1 ? ? +11977 ATOM O O B LEU C 3 382 ? 24.411 -57.945 -62.102 0.60 48.91 ? 404 LEU C O 1 ? ? +11978 ATOM C CB A LEU C 3 382 ? 23.744 -56.013 -59.598 0.40 47.95 ? 404 LEU C CB 1 ? ? +11979 ATOM C CB B LEU C 3 382 ? 23.751 -55.975 -59.600 0.60 47.84 ? 404 LEU C CB 1 ? ? +11980 ATOM C CG A LEU C 3 382 ? 24.379 -57.168 -58.843 0.40 48.25 ? 404 LEU C CG 1 ? ? +11981 ATOM C CG B LEU C 3 382 ? 24.316 -57.170 -58.858 0.60 48.16 ? 404 LEU C CG 1 ? ? +11982 ATOM C CD1 A LEU C 3 382 ? 25.891 -57.141 -58.944 0.40 48.42 ? 404 LEU C CD1 1 ? ? +11983 ATOM C CD1 B LEU C 3 382 ? 25.837 -57.222 -58.912 0.60 48.34 ? 404 LEU C CD1 1 ? ? +11984 ATOM C CD2 A LEU C 3 382 ? 23.989 -57.134 -57.384 0.40 48.00 ? 404 LEU C CD2 1 ? ? +11985 ATOM C CD2 B LEU C 3 382 ? 23.906 -57.132 -57.405 0.60 47.93 ? 404 LEU C CD2 1 ? ? +11986 ATOM N N A ASN C 3 383 ? 22.487 -56.811 -62.506 0.40 48.64 ? 405 ASN C N 1 ? ? +11987 ATOM N N B ASN C 3 383 ? 22.479 -56.825 -62.493 0.60 48.56 ? 405 ASN C N 1 ? ? +11988 ATOM C CA A ASN C 3 383 ? 21.930 -57.795 -63.420 0.40 49.09 ? 405 ASN C CA 1 ? ? +11989 ATOM C CA B ASN C 3 383 ? 21.937 -57.808 -63.419 0.60 49.02 ? 405 ASN C CA 1 ? ? +11990 ATOM C C A ASN C 3 383 ? 22.327 -57.513 -64.868 0.40 49.30 ? 405 ASN C C 1 ? ? +11991 ATOM C C B ASN C 3 383 ? 22.328 -57.516 -64.867 0.60 49.26 ? 405 ASN C C 1 ? ? +11992 ATOM O O A ASN C 3 383 ? 21.751 -58.080 -65.796 0.40 49.60 ? 405 ASN C O 1 ? ? +11993 ATOM O O B ASN C 3 383 ? 21.755 -58.083 -65.796 0.60 49.56 ? 405 ASN C O 1 ? ? +11994 ATOM C CB A ASN C 3 383 ? 20.409 -57.870 -63.273 0.40 49.07 ? 405 ASN C CB 1 ? ? +11995 ATOM C CB B ASN C 3 383 ? 20.421 -57.900 -63.270 0.60 49.01 ? 405 ASN C CB 1 ? ? +11996 ATOM C CG A ASN C 3 383 ? 19.669 -56.587 -63.544 0.40 48.76 ? 405 ASN C CG 1 ? ? +11997 ATOM C CG B ASN C 3 383 ? 19.668 -56.618 -63.509 0.60 48.68 ? 405 ASN C CG 1 ? ? +11998 ATOM O OD1 A ASN C 3 383 ? 19.995 -55.518 -63.020 0.40 48.36 ? 405 ASN C OD1 1 ? ? +11999 ATOM O OD1 B ASN C 3 383 ? 20.011 -55.558 -62.979 0.60 48.27 ? 405 ASN C OD1 1 ? ? +12000 ATOM N ND2 A ASN C 3 383 ? 18.637 -56.680 -64.367 0.40 48.97 ? 405 ASN C ND2 1 ? ? +12001 ATOM N ND2 B ASN C 3 383 ? 18.606 -56.698 -64.304 0.60 48.88 ? 405 ASN C ND2 1 ? ? +12002 ATOM N N . SER C 3 384 ? 23.339 -56.649 -65.026 1.00 49.14 ? 406 SER C N 1 ? ? +12003 ATOM C CA . SER C 3 384 ? 23.960 -56.330 -66.305 1.00 49.38 ? 406 SER C CA 1 ? ? +12004 ATOM C CB . SER C 3 384 ? 24.636 -57.548 -66.934 1.00 49.94 ? 406 SER C CB 1 ? ? +12005 ATOM O OG . SER C 3 384 ? 25.619 -58.112 -66.083 1.00 50.00 ? 406 SER C OG 1 ? ? +12006 ATOM C C . SER C 3 384 ? 23.059 -55.635 -67.324 1.00 49.33 ? 406 SER C C 1 ? ? +12007 ATOM O O . SER C 3 384 ? 23.033 -56.011 -68.500 1.00 49.75 ? 406 SER C O 1 ? ? +12008 ATOM N N A VAL C 3 385 ? 22.343 -54.603 -66.858 0.40 48.90 ? 407 VAL C N 1 ? ? +12009 ATOM N N B VAL C 3 385 ? 22.333 -54.612 -66.854 0.60 48.84 ? 407 VAL C N 1 ? ? +12010 ATOM C CA A VAL C 3 385 ? 21.648 -53.675 -67.734 0.40 48.83 ? 407 VAL C CA 1 ? ? +12011 ATOM C CA B VAL C 3 385 ? 21.633 -53.684 -67.724 0.60 48.72 ? 407 VAL C CA 1 ? ? +12012 ATOM C C A VAL C 3 385 ? 22.573 -52.478 -67.903 0.40 48.62 ? 407 VAL C C 1 ? ? +12013 ATOM C C B VAL C 3 385 ? 22.563 -52.489 -67.881 0.60 48.50 ? 407 VAL C C 1 ? ? +12014 ATOM O O A VAL C 3 385 ? 22.808 -51.733 -66.957 0.40 48.23 ? 407 VAL C O 1 ? ? +12015 ATOM O O B VAL C 3 385 ? 22.799 -51.760 -66.920 0.60 48.10 ? 407 VAL C O 1 ? ? +12016 ATOM C CB A VAL C 3 385 ? 20.264 -53.241 -67.195 0.40 48.52 ? 407 VAL C CB 1 ? ? +12017 ATOM C CB B VAL C 3 385 ? 20.251 -53.245 -67.182 0.60 48.39 ? 407 VAL C CB 1 ? ? +12018 ATOM C CG1 A VAL C 3 385 ? 19.585 -52.263 -68.145 0.40 48.49 ? 407 VAL C CG1 1 ? ? +12019 ATOM C CG1 B VAL C 3 385 ? 19.563 -52.281 -68.142 0.60 48.37 ? 407 VAL C CG1 1 ? ? +12020 ATOM C CG2 A VAL C 3 385 ? 19.382 -54.446 -66.923 0.40 48.72 ? 407 VAL C CG2 1 ? ? +12021 ATOM C CG2 B VAL C 3 385 ? 19.373 -54.448 -66.886 0.60 48.58 ? 407 VAL C CG2 1 ? ? +12022 ATOM N N A GLY C 3 386 ? 23.092 -52.311 -69.118 0.40 48.91 ? 408 GLY C N 1 ? ? +12023 ATOM N N B GLY C 3 386 ? 23.071 -52.302 -69.099 0.60 48.76 ? 408 GLY C N 1 ? ? +12024 ATOM C CA A GLY C 3 386 ? 24.024 -51.239 -69.401 0.40 48.83 ? 408 GLY C CA 1 ? ? +12025 ATOM C CA B GLY C 3 386 ? 24.030 -51.249 -69.365 0.60 48.69 ? 408 GLY C CA 1 ? ? +12026 ATOM C C A GLY C 3 386 ? 23.386 -49.866 -69.242 0.40 48.44 ? 408 GLY C C 1 ? ? +12027 ATOM C C B GLY C 3 386 ? 23.426 -49.859 -69.229 0.60 48.29 ? 408 GLY C C 1 ? ? +12028 ATOM O O A GLY C 3 386 ? 22.219 -49.680 -69.572 0.40 48.40 ? 408 GLY C O 1 ? ? +12029 ATOM O O B GLY C 3 386 ? 22.284 -49.643 -69.614 0.60 48.27 ? 408 GLY C O 1 ? ? +12030 ATOM N N A GLY C 3 387 ? 24.174 -48.919 -68.727 0.40 48.19 ? 409 GLY C N 1 ? ? +12031 ATOM N N B GLY C 3 387 ? 24.214 -48.936 -68.670 0.60 48.03 ? 409 GLY C N 1 ? ? +12032 ATOM C CA A GLY C 3 387 ? 23.802 -47.518 -68.741 0.40 47.92 ? 409 GLY C CA 1 ? ? +12033 ATOM C CA B GLY C 3 387 ? 23.890 -47.522 -68.687 0.60 47.76 ? 409 GLY C CA 1 ? ? +12034 ATOM C C A GLY C 3 387 ? 23.596 -46.952 -67.343 0.40 47.44 ? 409 GLY C C 1 ? ? +12035 ATOM C C B GLY C 3 387 ? 23.666 -46.965 -67.289 0.60 47.27 ? 409 GLY C C 1 ? ? +12036 ATOM O O A GLY C 3 387 ? 23.898 -47.607 -66.347 0.40 47.31 ? 409 GLY C O 1 ? ? +12037 ATOM O O B GLY C 3 387 ? 23.966 -47.623 -66.294 0.60 47.13 ? 409 GLY C O 1 ? ? +12038 ATOM N N A VAL C 3 388 ? 23.073 -45.724 -67.296 0.40 47.22 ? 410 VAL C N 1 ? ? +12039 ATOM N N B VAL C 3 388 ? 23.133 -45.741 -67.243 0.60 47.04 ? 410 VAL C N 1 ? ? +12040 ATOM C CA A VAL C 3 388 ? 22.742 -45.084 -66.035 0.40 46.78 ? 410 VAL C CA 1 ? ? +12041 ATOM C CA B VAL C 3 388 ? 22.781 -45.107 -65.985 0.60 46.60 ? 410 VAL C CA 1 ? ? +12042 ATOM C C A VAL C 3 388 ? 21.645 -45.893 -65.350 0.40 46.66 ? 410 VAL C C 1 ? ? +12043 ATOM C C B VAL C 3 388 ? 21.663 -45.899 -65.315 0.60 46.45 ? 410 VAL C C 1 ? ? +12044 ATOM O O A VAL C 3 388 ? 21.022 -46.752 -65.963 0.40 46.86 ? 410 VAL C O 1 ? ? +12045 ATOM O O B VAL C 3 388 ? 21.009 -46.721 -65.944 0.60 46.64 ? 410 VAL C O 1 ? ? +12046 ATOM C CB A VAL C 3 388 ? 22.363 -43.597 -66.235 0.40 46.59 ? 410 VAL C CB 1 ? ? +12047 ATOM C CB B VAL C 3 388 ? 22.419 -43.611 -66.173 0.60 46.41 ? 410 VAL C CB 1 ? ? +12048 ATOM C CG1 A VAL C 3 388 ? 23.510 -42.835 -66.908 0.40 46.78 ? 410 VAL C CG1 1 ? ? +12049 ATOM C CG1 B VAL C 3 388 ? 23.599 -42.842 -66.785 0.60 46.58 ? 410 VAL C CG1 1 ? ? +12050 ATOM C CG2 A VAL C 3 388 ? 21.069 -43.444 -67.021 0.40 46.69 ? 410 VAL C CG2 1 ? ? +12051 ATOM C CG2 B VAL C 3 388 ? 21.157 -43.429 -67.002 0.60 46.52 ? 410 VAL C CG2 1 ? ? +12052 ATOM N N A ALA C 3 389 ? 21.458 -45.620 -64.059 0.40 46.34 ? 411 ALA C N 1 ? ? +12053 ATOM N N B ALA C 3 389 ? 21.487 -45.646 -64.020 0.60 46.14 ? 411 ALA C N 1 ? ? +12054 ATOM C CA A ALA C 3 389 ? 20.591 -46.408 -63.204 0.40 46.31 ? 411 ALA C CA 1 ? ? +12055 ATOM C CA B ALA C 3 389 ? 20.567 -46.394 -63.185 0.60 46.11 ? 411 ALA C CA 1 ? ? +12056 ATOM C C A ALA C 3 389 ? 19.122 -46.259 -63.592 0.40 46.42 ? 411 ALA C C 1 ? ? +12057 ATOM C C B ALA C 3 389 ? 19.117 -46.247 -63.643 0.60 46.25 ? 411 ALA C C 1 ? ? +12058 ATOM O O A ALA C 3 389 ? 18.295 -47.093 -63.231 0.40 46.47 ? 411 ALA C O 1 ? ? +12059 ATOM O O B ALA C 3 389 ? 18.296 -47.120 -63.375 0.60 46.32 ? 411 ALA C O 1 ? ? +12060 ATOM C CB A ALA C 3 389 ? 20.801 -46.001 -61.753 0.40 45.92 ? 411 ALA C CB 1 ? ? +12061 ATOM C CB B ALA C 3 389 ? 20.713 -45.942 -61.742 0.60 45.71 ? 411 ALA C CB 1 ? ? +12062 ATOM N N A THR C 3 390 ? 18.819 -45.198 -64.346 0.40 46.54 ? 412 THR C N 1 ? ? +12063 ATOM N N B THR C 3 390 ? 18.826 -45.151 -64.350 0.60 46.36 ? 412 THR C N 1 ? ? +12064 ATOM C CA A THR C 3 390 ? 17.460 -44.895 -64.759 0.40 46.69 ? 412 THR C CA 1 ? ? +12065 ATOM C CA B THR C 3 390 ? 17.487 -44.858 -64.823 0.60 46.54 ? 412 THR C CA 1 ? ? +12066 ATOM C C A THR C 3 390 ? 17.149 -45.394 -66.167 0.40 47.26 ? 412 THR C C 1 ? ? +12067 ATOM C C B THR C 3 390 ? 17.194 -45.360 -66.234 0.60 47.15 ? 412 THR C C 1 ? ? +12068 ATOM O O A THR C 3 390 ? 16.041 -45.206 -66.666 0.40 47.42 ? 412 THR C O 1 ? ? +12069 ATOM O O B THR C 3 390 ? 16.102 -45.137 -66.756 0.60 47.33 ? 412 THR C O 1 ? ? +12070 ATOM C CB A THR C 3 390 ? 17.228 -43.396 -64.705 0.40 46.42 ? 412 THR C CB 1 ? ? +12071 ATOM C CB B THR C 3 390 ? 17.261 -43.358 -64.778 0.60 46.27 ? 412 THR C CB 1 ? ? +12072 ATOM O OG1 A THR C 3 390 ? 18.221 -42.763 -65.519 0.40 46.56 ? 412 THR C OG1 1 ? ? +12073 ATOM O OG1 B THR C 3 390 ? 18.265 -42.727 -65.581 0.60 46.41 ? 412 THR C OG1 1 ? ? +12074 ATOM C CG2 A THR C 3 390 ? 17.269 -42.853 -63.287 0.40 45.99 ? 412 THR C CG2 1 ? ? +12075 ATOM C CG2 B THR C 3 390 ? 17.284 -42.810 -63.363 0.60 45.83 ? 412 THR C CG2 1 ? ? +12076 ATOM N N A GLU C 3 391 ? 18.142 -46.025 -66.798 0.40 47.63 ? 413 GLU C N 1 ? ? +12077 ATOM N N B GLU C 3 391 ? 18.174 -46.029 -66.846 0.60 47.54 ? 413 GLU C N 1 ? ? +12078 ATOM C CA A GLU C 3 391 ? 18.009 -46.505 -68.163 0.40 48.14 ? 413 GLU C CA 1 ? ? +12079 ATOM C CA B GLU C 3 391 ? 18.042 -46.513 -68.210 0.60 48.07 ? 413 GLU C CA 1 ? ? +12080 ATOM C C A GLU C 3 391 ? 17.081 -47.715 -68.214 0.40 48.38 ? 413 GLU C C 1 ? ? +12081 ATOM C C B GLU C 3 391 ? 17.108 -47.718 -68.244 0.60 48.30 ? 413 GLU C C 1 ? ? +12082 ATOM O O A GLU C 3 391 ? 16.927 -48.426 -67.226 0.40 48.19 ? 413 GLU C O 1 ? ? +12083 ATOM O O B GLU C 3 391 ? 16.971 -48.428 -67.252 0.60 48.09 ? 413 GLU C O 1 ? ? +12084 ATOM C CB A GLU C 3 391 ? 19.403 -46.864 -68.733 0.40 48.44 ? 413 GLU C CB 1 ? ? +12085 ATOM C CB B GLU C 3 391 ? 19.440 -46.882 -68.771 0.60 48.39 ? 413 GLU C CB 1 ? ? +12086 ATOM C CG A GLU C 3 391 ? 19.415 -47.227 -70.207 0.40 48.96 ? 413 GLU C CG 1 ? ? +12087 ATOM C CG B GLU C 3 391 ? 19.484 -47.192 -70.256 0.60 48.92 ? 413 GLU C CG 1 ? ? +12088 ATOM C CD A GLU C 3 391 ? 18.939 -46.138 -71.149 0.40 49.10 ? 413 GLU C CD 1 ? ? +12089 ATOM C CD B GLU C 3 391 ? 18.996 -46.088 -71.170 0.60 49.06 ? 413 GLU C CD 1 ? ? +12090 ATOM O OE1 A GLU C 3 391 ? 17.712 -45.884 -71.208 0.40 49.08 ? 413 GLU C OE1 1 ? ? +12091 ATOM O OE1 B GLU C 3 391 ? 17.759 -45.934 -71.321 0.60 49.10 ? 413 GLU C OE1 1 ? ? +12092 ATOM O OE2 A GLU C 3 391 ? 19.802 -45.533 -71.827 0.40 49.26 ? 413 GLU C OE2 1 ? ? +12093 ATOM O OE2 B GLU C 3 391 ? 19.856 -45.369 -71.731 0.60 49.19 ? 413 GLU C OE2 1 ? ? +12094 ATOM N N A ILE C 3 392 ? 16.474 -47.935 -69.384 0.40 48.81 ? 414 ILE C N 1 ? ? +12095 ATOM N N B ILE C 3 392 ? 16.472 -47.932 -69.399 0.60 48.75 ? 414 ILE C N 1 ? ? +12096 ATOM C CA A ILE C 3 392 ? 15.592 -49.071 -69.592 0.40 49.17 ? 414 ILE C CA 1 ? ? +12097 ATOM C CA B ILE C 3 392 ? 15.590 -49.072 -69.593 0.60 49.13 ? 414 ILE C CA 1 ? ? +12098 ATOM C C A ILE C 3 392 ? 16.404 -50.267 -70.076 0.40 49.57 ? 414 ILE C C 1 ? ? +12099 ATOM C C B ILE C 3 392 ? 16.405 -50.268 -70.067 0.60 49.54 ? 414 ILE C C 1 ? ? +12100 ATOM O O A ILE C 3 392 ? 17.496 -50.097 -70.606 0.40 49.72 ? 414 ILE C O 1 ? ? +12101 ATOM O O B ILE C 3 392 ? 17.501 -50.099 -70.585 0.60 49.69 ? 414 ILE C O 1 ? ? +12102 ATOM C CB A ILE C 3 392 ? 14.452 -48.757 -70.599 0.40 49.44 ? 414 ILE C CB 1 ? ? +12103 ATOM C CB B ILE C 3 392 ? 14.428 -48.770 -70.588 0.60 49.39 ? 414 ILE C CB 1 ? ? +12104 ATOM C CG1 A ILE C 3 392 ? 15.032 -48.345 -71.965 0.40 49.75 ? 414 ILE C CG1 1 ? ? +12105 ATOM C CG1 B ILE C 3 392 ? 14.977 -48.347 -71.971 0.60 49.72 ? 414 ILE C CG1 1 ? ? +12106 ATOM C CG2 A ILE C 3 392 ? 13.500 -47.716 -70.047 0.40 49.10 ? 414 ILE C CG2 1 ? ? +12107 ATOM C CG2 B ILE C 3 392 ? 13.476 -47.747 -70.009 0.60 49.04 ? 414 ILE C CG2 1 ? ? +12108 ATOM C CD1 A ILE C 3 392 ? 14.054 -48.280 -73.049 0.40 50.12 ? 414 ILE C CD1 1 ? ? +12109 ATOM C CD1 B ILE C 3 392 ? 13.988 -48.305 -73.040 0.60 50.07 ? 414 ILE C CD1 1 ? ? +12110 ATOM N N . ASN C 3 393 ? 15.841 -51.465 -69.888 1.00 49.83 ? 415 ASN C N 1 ? ? +12111 ATOM C CA . ASN C 3 393 ? 16.420 -52.694 -70.402 1.00 50.32 ? 415 ASN C CA 1 ? ? +12112 ATOM C CB . ASN C 3 393 ? 15.579 -53.903 -69.984 1.00 50.59 ? 415 ASN C CB 1 ? ? +12113 ATOM C CG . ASN C 3 393 ? 15.867 -54.373 -68.588 1.00 50.41 ? 415 ASN C CG 1 ? ? +12114 ATOM O OD1 . ASN C 3 393 ? 16.763 -55.178 -68.367 1.00 50.52 ? 415 ASN C OD1 1 ? ? +12115 ATOM N ND2 . ASN C 3 393 ? 15.088 -53.918 -67.614 1.00 50.13 ? 415 ASN C ND2 1 ? ? +12116 ATOM C C . ASN C 3 393 ? 16.554 -52.660 -71.922 1.00 50.85 ? 415 ASN C C 1 ? ? +12117 ATOM O O . ASN C 3 393 ? 15.734 -52.069 -72.617 1.00 51.09 ? 415 ASN C O 1 ? ? +12118 ATOM N N . SER C 3 394 ? 17.613 -53.306 -72.417 1.00 51.19 ? 416 SER C N 1 ? ? +12119 ATOM C CA . SER C 3 394 ? 17.914 -53.437 -73.833 1.00 51.65 ? 416 SER C CA 1 ? ? +12120 ATOM C CB . SER C 3 394 ? 17.735 -52.131 -74.589 1.00 51.66 ? 416 SER C CB 1 ? ? +12121 ATOM O OG . SER C 3 394 ? 16.390 -51.983 -75.001 1.00 51.93 ? 416 SER C OG 1 ? ? +12122 ATOM C C . SER C 3 394 ? 19.354 -53.915 -73.980 1.00 51.82 ? 416 SER C C 1 ? ? +12123 ATOM O O . SER C 3 394 ? 19.611 -54.913 -74.644 1.00 52.41 ? 416 SER C O 1 ? ? +12124 ATOM N N . VAL C 3 395 ? 20.282 -53.187 -73.351 1.00 51.37 ? 417 VAL C N 1 ? ? +12125 ATOM C CA . VAL C 3 395 ? 21.699 -53.439 -73.526 1.00 51.44 ? 417 VAL C CA 1 ? ? +12126 ATOM C CB . VAL C 3 395 ? 22.477 -52.119 -73.691 1.00 51.28 ? 417 VAL C CB 1 ? ? +12127 ATOM C CG1 . VAL C 3 395 ? 23.943 -52.391 -73.985 1.00 51.54 ? 417 VAL C CG1 1 ? ? +12128 ATOM C CG2 . VAL C 3 395 ? 21.866 -51.257 -74.780 1.00 51.42 ? 417 VAL C CG2 1 ? ? +12129 ATOM C C . VAL C 3 395 ? 22.221 -54.286 -72.366 1.00 51.16 ? 417 VAL C C 1 ? ? +12130 ATOM O O . VAL C 3 395 ? 22.212 -53.872 -71.213 1.00 50.69 ? 417 VAL C O 1 ? ? +12131 ATOM N N . ASN C 3 396 ? 22.644 -55.504 -72.694 1.00 51.48 ? 418 ASN C N 1 ? ? +12132 ATOM C CA . ASN C 3 396 ? 23.267 -56.406 -71.746 1.00 51.41 ? 418 ASN C CA 1 ? ? +12133 ATOM C CB . ASN C 3 396 ? 23.029 -57.840 -72.228 1.00 51.92 ? 418 ASN C CB 1 ? ? +12134 ATOM C CG . ASN C 3 396 ? 23.283 -58.894 -71.206 1.00 52.07 ? 418 ASN C CG 1 ? ? +12135 ATOM O OD1 . ASN C 3 396 ? 23.290 -60.087 -71.493 1.00 52.57 ? 418 ASN C OD1 1 ? ? +12136 ATOM N ND2 . ASN C 3 396 ? 23.487 -58.508 -69.965 1.00 51.75 ? 418 ASN C ND2 1 ? ? +12137 ATOM C C . ASN C 3 396 ? 24.753 -56.036 -71.673 1.00 51.28 ? 418 ASN C C 1 ? ? +12138 ATOM O O . ASN C 3 396 ? 25.522 -56.440 -72.531 1.00 51.68 ? 418 ASN C O 1 ? ? +12139 ATOM N N A PHE C 3 397 ? 25.135 -55.247 -70.660 0.40 50.79 ? 419 PHE C N 1 ? ? +12140 ATOM N N B PHE C 3 397 ? 25.132 -55.238 -70.666 0.60 50.75 ? 419 PHE C N 1 ? ? +12141 ATOM C CA A PHE C 3 397 ? 26.491 -54.735 -70.551 0.40 50.76 ? 419 PHE C CA 1 ? ? +12142 ATOM C CA B PHE C 3 397 ? 26.487 -54.724 -70.565 0.60 50.69 ? 419 PHE C CA 1 ? ? +12143 ATOM C C A PHE C 3 397 ? 26.843 -54.258 -69.145 0.40 50.26 ? 419 PHE C C 1 ? ? +12144 ATOM C C B PHE C 3 397 ? 26.851 -54.258 -69.159 0.60 50.16 ? 419 PHE C C 1 ? ? +12145 ATOM O O A PHE C 3 397 ? 26.119 -53.458 -68.552 0.40 49.83 ? 419 PHE C O 1 ? ? +12146 ATOM O O B PHE C 3 397 ? 26.124 -53.477 -68.549 0.60 49.71 ? 419 PHE C O 1 ? ? +12147 ATOM C CB A PHE C 3 397 ? 26.704 -53.571 -71.537 0.40 50.81 ? 419 PHE C CB 1 ? ? +12148 ATOM C CB B PHE C 3 397 ? 26.699 -53.559 -71.541 0.60 50.73 ? 419 PHE C CB 1 ? ? +12149 ATOM C CG A PHE C 3 397 ? 28.065 -52.911 -71.468 0.40 50.83 ? 419 PHE C CG 1 ? ? +12150 ATOM C CG B PHE C 3 397 ? 28.063 -52.908 -71.465 0.60 50.74 ? 419 PHE C CG 1 ? ? +12151 ATOM C CD1 A PHE C 3 397 ? 29.198 -53.566 -71.919 0.40 51.28 ? 419 PHE C CD1 1 ? ? +12152 ATOM C CD1 B PHE C 3 397 ? 29.195 -53.573 -71.904 0.60 51.19 ? 419 PHE C CD1 1 ? ? +12153 ATOM C CD2 A PHE C 3 397 ? 28.210 -51.633 -70.959 0.40 50.46 ? 419 PHE C CD2 1 ? ? +12154 ATOM C CD2 B PHE C 3 397 ? 28.214 -51.631 -70.953 0.60 50.37 ? 419 PHE C CD2 1 ? ? +12155 ATOM C CE1 A PHE C 3 397 ? 30.451 -52.950 -71.861 0.40 51.34 ? 419 PHE C CE1 1 ? ? +12156 ATOM C CE1 B PHE C 3 397 ? 30.455 -52.964 -71.839 0.60 51.25 ? 419 PHE C CE1 1 ? ? +12157 ATOM C CE2 A PHE C 3 397 ? 29.467 -51.024 -70.898 0.40 50.50 ? 419 PHE C CE2 1 ? ? +12158 ATOM C CE2 B PHE C 3 397 ? 29.480 -51.029 -70.887 0.60 50.42 ? 419 PHE C CE2 1 ? ? +12159 ATOM C CZ A PHE C 3 397 ? 30.575 -51.689 -71.347 0.40 50.94 ? 419 PHE C CZ 1 ? ? +12160 ATOM C CZ B PHE C 3 397 ? 30.586 -51.703 -71.324 0.60 50.85 ? 419 PHE C CZ 1 ? ? +12161 ATOM N N A VAL C 3 398 ? 27.955 -54.797 -68.628 0.40 50.32 ? 420 VAL C N 1 ? ? +12162 ATOM N N B VAL C 3 398 ? 27.980 -54.783 -68.663 0.60 50.18 ? 420 VAL C N 1 ? ? +12163 ATOM C CA A VAL C 3 398 ? 28.714 -54.197 -67.544 0.40 49.96 ? 420 VAL C CA 1 ? ? +12164 ATOM C CA B VAL C 3 398 ? 28.739 -54.182 -67.580 0.60 49.78 ? 420 VAL C CA 1 ? ? +12165 ATOM C C A VAL C 3 398 ? 30.189 -54.261 -67.930 0.40 50.26 ? 420 VAL C C 1 ? ? +12166 ATOM C C B VAL C 3 398 ? 30.212 -54.258 -67.972 0.60 50.06 ? 420 VAL C C 1 ? ? +12167 ATOM O O A VAL C 3 398 ? 30.690 -55.315 -68.310 0.40 50.70 ? 420 VAL C O 1 ? ? +12168 ATOM O O B VAL C 3 398 ? 30.700 -55.313 -68.366 0.60 50.50 ? 420 VAL C O 1 ? ? +12169 ATOM C CB A VAL C 3 398 ? 28.479 -54.877 -66.187 0.40 49.77 ? 420 VAL C CB 1 ? ? +12170 ATOM C CB B VAL C 3 398 ? 28.491 -54.852 -66.223 0.60 49.58 ? 420 VAL C CB 1 ? ? +12171 ATOM C CG1 A VAL C 3 398 ? 29.617 -54.571 -65.225 0.40 49.67 ? 420 VAL C CG1 1 ? ? +12172 ATOM C CG1 B VAL C 3 398 ? 29.598 -54.514 -65.232 0.60 49.45 ? 420 VAL C CG1 1 ? ? +12173 ATOM C CG2 A VAL C 3 398 ? 27.143 -54.473 -65.588 0.40 49.35 ? 420 VAL C CG2 1 ? ? +12174 ATOM C CG2 B VAL C 3 398 ? 27.138 -54.466 -65.658 0.60 49.16 ? 420 VAL C CG2 1 ? ? +12175 ATOM N N A SER C 3 399 ? 30.876 -53.119 -67.852 0.40 50.06 ? 421 SER C N 1 ? ? +12176 ATOM N N B SER C 3 399 ? 30.909 -53.124 -67.877 0.60 49.82 ? 421 SER C N 1 ? ? +12177 ATOM C CA A SER C 3 399 ? 32.277 -53.040 -68.230 0.40 50.36 ? 421 SER C CA 1 ? ? +12178 ATOM C CA B SER C 3 399 ? 32.313 -53.054 -68.241 0.60 50.10 ? 421 SER C CA 1 ? ? +12179 ATOM C C A SER C 3 399 ? 33.134 -54.031 -67.447 0.40 50.47 ? 421 SER C C 1 ? ? +12180 ATOM C C B SER C 3 399 ? 33.151 -54.060 -67.456 0.60 50.19 ? 421 SER C C 1 ? ? +12181 ATOM O O A SER C 3 399 ? 32.953 -54.201 -66.245 0.40 50.15 ? 421 SER C O 1 ? ? +12182 ATOM O O B SER C 3 399 ? 32.945 -54.245 -66.261 0.60 49.86 ? 421 SER C O 1 ? ? +12183 ATOM C CB A SER C 3 399 ? 32.797 -51.619 -68.019 0.40 50.14 ? 421 SER C CB 1 ? ? +12184 ATOM C CB B SER C 3 399 ? 32.848 -51.645 -68.009 0.60 49.88 ? 421 SER C CB 1 ? ? +12185 ATOM O OG A SER C 3 399 ? 34.153 -51.488 -68.412 0.40 50.56 ? 421 SER C OG 1 ? ? +12186 ATOM O OG B SER C 3 399 ? 34.229 -51.562 -68.315 0.60 50.29 ? 421 SER C OG 1 ? ? +12187 ATOM N N A PRO C 3 400 ? 34.087 -54.726 -68.108 0.40 50.95 ? 422 PRO C N 1 ? ? +12188 ATOM N N B PRO C 3 400 ? 34.111 -54.750 -68.110 0.60 50.65 ? 422 PRO C N 1 ? ? +12189 ATOM C CA A PRO C 3 400 ? 35.083 -55.536 -67.400 0.40 51.16 ? 422 PRO C CA 1 ? ? +12190 ATOM C CA B PRO C 3 400 ? 35.119 -55.543 -67.398 0.60 50.86 ? 422 PRO C CA 1 ? ? +12191 ATOM C C A PRO C 3 400 ? 35.821 -54.775 -66.302 0.40 50.86 ? 422 PRO C C 1 ? ? +12192 ATOM C C B PRO C 3 400 ? 35.852 -54.779 -66.297 0.60 50.53 ? 422 PRO C C 1 ? ? +12193 ATOM O O A PRO C 3 400 ? 36.172 -55.350 -65.277 0.40 50.86 ? 422 PRO C O 1 ? ? +12194 ATOM O O B PRO C 3 400 ? 36.209 -55.358 -65.277 0.60 50.55 ? 422 PRO C O 1 ? ? +12195 ATOM C CB A PRO C 3 400 ? 36.042 -55.966 -68.512 0.40 51.77 ? 422 PRO C CB 1 ? ? +12196 ATOM C CB B PRO C 3 400 ? 36.081 -55.963 -68.511 0.60 51.46 ? 422 PRO C CB 1 ? ? +12197 ATOM C CG A PRO C 3 400 ? 35.217 -55.919 -69.765 0.40 51.89 ? 422 PRO C CG 1 ? ? +12198 ATOM C CG B PRO C 3 400 ? 35.242 -55.932 -69.764 0.60 51.59 ? 422 PRO C CG 1 ? ? +12199 ATOM C CD A PRO C 3 400 ? 34.240 -54.785 -69.570 0.40 51.35 ? 422 PRO C CD 1 ? ? +12200 ATOM C CD B PRO C 3 400 ? 34.265 -54.814 -69.571 0.60 51.06 ? 422 PRO C CD 1 ? ? +12201 ATOM N N A ARG C 3 401 ? 36.048 -53.477 -66.521 0.40 50.61 ? 423 ARG C N 1 ? ? +12202 ATOM N N B ARG C 3 401 ? 36.063 -53.476 -66.508 0.60 50.28 ? 423 ARG C N 1 ? ? +12203 ATOM C CA A ARG C 3 401 ? 36.729 -52.652 -65.539 0.40 50.35 ? 423 ARG C CA 1 ? ? +12204 ATOM C CA B ARG C 3 401 ? 36.726 -52.641 -65.521 0.60 50.01 ? 423 ARG C CA 1 ? ? +12205 ATOM C C A ARG C 3 401 ? 35.939 -52.618 -64.234 0.40 49.83 ? 423 ARG C C 1 ? ? +12206 ATOM C C B ARG C 3 401 ? 35.931 -52.577 -64.220 0.60 49.48 ? 423 ARG C C 1 ? ? +12207 ATOM O O A ARG C 3 401 ? 36.522 -52.705 -63.157 0.40 49.78 ? 423 ARG C O 1 ? ? +12208 ATOM O O B ARG C 3 401 ? 36.514 -52.627 -63.140 0.60 49.43 ? 423 ARG C O 1 ? ? +12209 ATOM C CB A ARG C 3 401 ? 36.960 -51.234 -66.078 0.40 50.24 ? 423 ARG C CB 1 ? ? +12210 ATOM C CB B ARG C 3 401 ? 36.967 -51.228 -66.070 0.60 49.89 ? 423 ARG C CB 1 ? ? +12211 ATOM C CG A ARG C 3 401 ? 37.822 -51.207 -67.323 0.40 50.77 ? 423 ARG C CG 1 ? ? +12212 ATOM C CG B ARG C 3 401 ? 37.836 -51.208 -67.306 0.60 50.43 ? 423 ARG C CG 1 ? ? +12213 ATOM C CD A ARG C 3 401 ? 38.337 -49.822 -67.648 0.40 50.74 ? 423 ARG C CD 1 ? ? +12214 ATOM C CD B ARG C 3 401 ? 38.343 -49.824 -67.634 0.60 50.40 ? 423 ARG C CD 1 ? ? +12215 ATOM N NE A ARG C 3 401 ? 39.143 -49.811 -68.865 0.40 51.28 ? 423 ARG C NE 1 ? ? +12216 ATOM N NE B ARG C 3 401 ? 39.154 -49.817 -68.848 0.60 50.94 ? 423 ARG C NE 1 ? ? +12217 ATOM C CZ A ARG C 3 401 ? 40.468 -49.757 -68.882 0.40 51.69 ? 423 ARG C CZ 1 ? ? +12218 ATOM C CZ B ARG C 3 401 ? 40.480 -49.760 -68.869 0.60 51.35 ? 423 ARG C CZ 1 ? ? +12219 ATOM N NH1 A ARG C 3 401 ? 41.177 -49.870 -67.772 0.40 51.65 ? 423 ARG C NH1 1 ? ? +12220 ATOM N NH1 B ARG C 3 401 ? 41.193 -49.870 -67.760 0.60 51.32 ? 423 ARG C NH1 1 ? ? +12221 ATOM N NH2 A ARG C 3 401 ? 41.099 -49.604 -70.043 0.40 52.17 ? 423 ARG C NH2 1 ? ? +12222 ATOM N NH2 B ARG C 3 401 ? 41.106 -49.603 -70.033 0.60 51.84 ? 423 ARG C NH2 1 ? ? +12223 ATOM N N A SER C 3 402 ? 34.608 -52.511 -64.337 0.40 49.46 ? 424 SER C N 1 ? ? +12224 ATOM N N B SER C 3 402 ? 34.598 -52.478 -64.329 0.60 49.13 ? 424 SER C N 1 ? ? +12225 ATOM C CA A SER C 3 402 ? 33.751 -52.490 -63.162 0.40 48.97 ? 424 SER C CA 1 ? ? +12226 ATOM C CA B SER C 3 402 ? 33.730 -52.484 -63.162 0.60 48.65 ? 424 SER C CA 1 ? ? +12227 ATOM C C A SER C 3 402 ? 33.745 -53.818 -62.412 0.40 49.11 ? 424 SER C C 1 ? ? +12228 ATOM C C B SER C 3 402 ? 33.734 -53.822 -62.429 0.60 48.80 ? 424 SER C C 1 ? ? +12229 ATOM O O A SER C 3 402 ? 33.840 -53.848 -61.187 0.40 48.88 ? 424 SER C O 1 ? ? +12230 ATOM O O B SER C 3 402 ? 33.846 -53.860 -61.205 0.60 48.59 ? 424 SER C O 1 ? ? +12231 ATOM C CB A SER C 3 402 ? 32.333 -52.104 -63.544 0.40 48.65 ? 424 SER C CB 1 ? ? +12232 ATOM C CB B SER C 3 402 ? 32.307 -52.110 -63.542 0.60 48.33 ? 424 SER C CB 1 ? ? +12233 ATOM O OG A SER C 3 402 ? 32.251 -50.705 -63.752 0.40 48.39 ? 424 SER C OG 1 ? ? +12234 ATOM O OG B SER C 3 402 ? 32.176 -50.703 -63.644 0.60 48.04 ? 424 SER C OG 1 ? ? +12235 ATOM N N A TRP C 3 403 ? 33.634 -54.918 -63.160 0.40 49.49 ? 425 TRP C N 1 ? ? +12236 ATOM N N B TRP C 3 403 ? 33.615 -54.915 -63.185 0.60 49.21 ? 425 TRP C N 1 ? ? +12237 ATOM C CA A TRP C 3 403 ? 33.704 -56.238 -62.561 0.40 49.75 ? 425 TRP C CA 1 ? ? +12238 ATOM C CA B TRP C 3 403 ? 33.689 -56.245 -62.606 0.60 49.49 ? 425 TRP C CA 1 ? ? +12239 ATOM C C A TRP C 3 403 ? 35.019 -56.425 -61.809 0.40 49.94 ? 425 TRP C C 1 ? ? +12240 ATOM C C B TRP C 3 403 ? 34.997 -56.461 -61.848 0.60 49.69 ? 425 TRP C C 1 ? ? +12241 ATOM O O A TRP C 3 403 ? 35.029 -56.872 -60.665 0.40 49.88 ? 425 TRP C O 1 ? ? +12242 ATOM O O B TRP C 3 403 ? 34.992 -56.963 -60.729 0.60 49.67 ? 425 TRP C O 1 ? ? +12243 ATOM C CB A TRP C 3 403 ? 33.543 -57.339 -63.617 0.40 50.23 ? 425 TRP C CB 1 ? ? +12244 ATOM C CB B TRP C 3 403 ? 33.527 -57.332 -63.679 0.60 49.96 ? 425 TRP C CB 1 ? ? +12245 ATOM C CG A TRP C 3 403 ? 32.149 -57.496 -64.157 0.40 50.10 ? 425 TRP C CG 1 ? ? +12246 ATOM C CG B TRP C 3 403 ? 32.128 -57.497 -64.205 0.60 49.85 ? 425 TRP C CG 1 ? ? +12247 ATOM C CD1 A TRP C 3 403 ? 31.774 -57.463 -65.467 0.40 50.31 ? 425 TRP C CD1 1 ? ? +12248 ATOM C CD1 B TRP C 3 403 ? 31.741 -57.455 -65.512 0.60 50.05 ? 425 TRP C CD1 1 ? ? +12249 ATOM C CD2 A TRP C 3 403 ? 30.950 -57.728 -63.403 0.40 49.76 ? 425 TRP C CD2 1 ? ? +12250 ATOM C CD2 B TRP C 3 403 ? 30.941 -57.749 -63.443 0.60 49.53 ? 425 TRP C CD2 1 ? ? +12251 ATOM N NE1 A TRP C 3 403 ? 30.419 -57.657 -65.577 0.40 50.13 ? 425 TRP C NE1 1 ? ? +12252 ATOM N NE1 B TRP C 3 403 ? 30.389 -57.660 -65.611 0.60 49.88 ? 425 TRP C NE1 1 ? ? +12253 ATOM C CE2 A TRP C 3 403 ? 29.886 -57.821 -64.325 0.40 49.80 ? 425 TRP C CE2 1 ? ? +12254 ATOM C CE2 B TRP C 3 403 ? 29.870 -57.844 -64.356 0.60 49.56 ? 425 TRP C CE2 1 ? ? +12255 ATOM C CE3 A TRP C 3 403 ? 30.670 -57.865 -62.042 0.40 49.49 ? 425 TRP C CE3 1 ? ? +12256 ATOM C CE3 B TRP C 3 403 ? 30.675 -57.902 -62.080 0.60 49.25 ? 425 TRP C CE3 1 ? ? +12257 ATOM C CZ2 A TRP C 3 403 ? 28.564 -58.047 -63.927 0.40 49.55 ? 425 TRP C CZ2 1 ? ? +12258 ATOM C CZ2 B TRP C 3 403 ? 28.552 -58.088 -63.948 0.60 49.31 ? 425 TRP C CZ2 1 ? ? +12259 ATOM C CZ3 A TRP C 3 403 ? 29.357 -58.089 -61.650 0.40 49.26 ? 425 TRP C CZ3 1 ? ? +12260 ATOM C CZ3 B TRP C 3 403 ? 29.365 -58.144 -61.678 0.60 49.02 ? 425 TRP C CZ3 1 ? ? +12261 ATOM C CH2 A TRP C 3 403 ? 28.324 -58.176 -62.588 0.40 49.29 ? 425 TRP C CH2 1 ? ? +12262 ATOM C CH2 B TRP C 3 403 ? 28.325 -58.233 -62.609 0.60 49.04 ? 425 TRP C CH2 1 ? ? +12263 ATOM N N A LEU C 3 404 ? 36.131 -56.069 -62.456 0.40 50.23 ? 426 LEU C N 1 ? ? +12264 ATOM N N B LEU C 3 404 ? 36.115 -56.065 -62.463 0.60 49.98 ? 426 LEU C N 1 ? ? +12265 ATOM C CA A LEU C 3 404 ? 37.444 -56.319 -61.889 0.40 50.53 ? 426 LEU C CA 1 ? ? +12266 ATOM C CA B LEU C 3 404 ? 37.425 -56.315 -61.886 0.60 50.29 ? 426 LEU C CA 1 ? ? +12267 ATOM C C A LEU C 3 404 ? 37.708 -55.435 -60.671 0.40 50.16 ? 426 LEU C C 1 ? ? +12268 ATOM C C B LEU C 3 404 ? 37.703 -55.430 -60.673 0.60 49.94 ? 426 LEU C C 1 ? ? +12269 ATOM O O A LEU C 3 404 ? 38.250 -55.903 -59.672 0.40 50.25 ? 426 LEU C O 1 ? ? +12270 ATOM O O B LEU C 3 404 ? 38.236 -55.903 -59.670 0.60 50.03 ? 426 LEU C O 1 ? ? +12271 ATOM C CB A LEU C 3 404 ? 38.505 -56.129 -62.981 0.40 50.98 ? 426 LEU C CB 1 ? ? +12272 ATOM C CB B LEU C 3 404 ? 38.491 -56.134 -62.974 0.60 50.73 ? 426 LEU C CB 1 ? ? +12273 ATOM C CG A LEU C 3 404 ? 38.574 -57.275 -63.976 0.40 51.49 ? 426 LEU C CG 1 ? ? +12274 ATOM C CG B LEU C 3 404 ? 38.537 -57.260 -63.985 0.60 51.21 ? 426 LEU C CG 1 ? ? +12275 ATOM C CD1 A LEU C 3 404 ? 39.472 -56.954 -65.127 0.40 51.92 ? 426 LEU C CD1 1 ? ? +12276 ATOM C CD1 B LEU C 3 404 ? 39.396 -56.919 -65.148 0.60 51.63 ? 426 LEU C CD1 1 ? ? +12277 ATOM C CD2 A LEU C 3 404 ? 39.055 -58.546 -63.306 0.40 51.83 ? 426 LEU C CD2 1 ? ? +12278 ATOM C CD2 B LEU C 3 404 ? 39.056 -58.536 -63.356 0.60 51.59 ? 426 LEU C CD2 1 ? ? +12279 ATOM N N A ALA C 3 405 ? 37.295 -54.167 -60.747 0.40 49.75 ? 427 ALA C N 1 ? ? +12280 ATOM N N B ALA C 3 405 ? 37.319 -54.152 -60.761 0.60 49.56 ? 427 ALA C N 1 ? ? +12281 ATOM C CA A ALA C 3 405 ? 37.556 -53.219 -59.675 0.40 49.42 ? 427 ALA C CA 1 ? ? +12282 ATOM C CA B ALA C 3 405 ? 37.575 -53.206 -59.686 0.60 49.25 ? 427 ALA C CA 1 ? ? +12283 ATOM C C A ALA C 3 405 ? 36.724 -53.508 -58.427 0.40 49.06 ? 427 ALA C C 1 ? ? +12284 ATOM C C B ALA C 3 405 ? 36.741 -53.500 -58.439 0.60 48.92 ? 427 ALA C C 1 ? ? +12285 ATOM O O A ALA C 3 405 ? 37.248 -53.481 -57.315 0.40 49.02 ? 427 ALA C O 1 ? ? +12286 ATOM O O B ALA C 3 405 ? 37.269 -53.481 -57.328 0.60 48.88 ? 427 ALA C O 1 ? ? +12287 ATOM C CB A ALA C 3 405 ? 37.301 -51.799 -60.156 0.40 49.13 ? 427 ALA C CB 1 ? ? +12288 ATOM C CB B ALA C 3 405 ? 37.318 -51.786 -60.167 0.60 48.96 ? 427 ALA C CB 1 ? ? +12289 ATOM N N A THR C 3 406 ? 35.426 -53.782 -58.620 0.40 48.81 ? 428 THR C N 1 ? ? +12290 ATOM N N B THR C 3 406 ? 35.442 -53.771 -58.632 0.60 48.70 ? 428 THR C N 1 ? ? +12291 ATOM C CA A THR C 3 406 ? 34.525 -54.038 -57.508 0.40 48.49 ? 428 THR C CA 1 ? ? +12292 ATOM C CA B THR C 3 406 ? 34.537 -54.029 -57.523 0.60 48.40 ? 428 THR C CA 1 ? ? +12293 ATOM C C A THR C 3 406 ? 34.904 -55.336 -56.802 0.40 48.84 ? 428 THR C C 1 ? ? +12294 ATOM C C B THR C 3 406 ? 34.907 -55.319 -56.800 0.60 48.75 ? 428 THR C C 1 ? ? +12295 ATOM O O A THR C 3 406 ? 34.994 -55.383 -55.578 0.40 48.71 ? 428 THR C O 1 ? ? +12296 ATOM O O B THR C 3 406 ? 35.005 -55.340 -55.574 0.60 48.62 ? 428 THR C O 1 ? ? +12297 ATOM C CB A THR C 3 406 ? 33.052 -54.077 -57.967 0.40 48.22 ? 428 THR C CB 1 ? ? +12298 ATOM C CB B THR C 3 406 ? 33.064 -54.084 -57.987 0.60 48.15 ? 428 THR C CB 1 ? ? +12299 ATOM O OG1 A THR C 3 406 ? 32.867 -55.117 -58.923 0.40 48.57 ? 428 THR C OG1 1 ? ? +12300 ATOM O OG1 B THR C 3 406 ? 32.905 -55.081 -58.991 0.60 48.55 ? 428 THR C OG1 1 ? ? +12301 ATOM C CG2 A THR C 3 406 ? 32.605 -52.772 -58.571 0.40 47.90 ? 428 THR C CG2 1 ? ? +12302 ATOM C CG2 B THR C 3 406 ? 32.584 -52.767 -58.524 0.60 47.81 ? 428 THR C CG2 1 ? ? +12303 ATOM N N A SER C 3 407 ? 35.117 -56.390 -57.590 0.40 49.33 ? 429 SER C N 1 ? ? +12304 ATOM N N B SER C 3 407 ? 35.099 -56.391 -57.573 0.60 49.25 ? 429 SER C N 1 ? ? +12305 ATOM C CA A SER C 3 407 ? 35.542 -57.668 -57.049 0.40 49.77 ? 429 SER C CA 1 ? ? +12306 ATOM C CA B SER C 3 407 ? 35.538 -57.667 -57.036 0.60 49.71 ? 429 SER C CA 1 ? ? +12307 ATOM C C A SER C 3 407 ? 36.797 -57.526 -56.188 0.40 49.98 ? 429 SER C C 1 ? ? +12308 ATOM C C B SER C 3 407 ? 36.802 -57.532 -56.185 0.60 49.96 ? 429 SER C C 1 ? ? +12309 ATOM O O A SER C 3 407 ? 36.844 -58.037 -55.074 0.40 50.03 ? 429 SER C O 1 ? ? +12310 ATOM O O B SER C 3 407 ? 36.858 -58.049 -55.074 0.60 50.04 ? 429 SER C O 1 ? ? +12311 ATOM C CB A SER C 3 407 ? 35.806 -58.658 -58.176 0.40 50.28 ? 429 SER C CB 1 ? ? +12312 ATOM C CB B SER C 3 407 ? 35.809 -58.651 -58.169 0.60 50.23 ? 429 SER C CB 1 ? ? +12313 ATOM O OG A SER C 3 407 ? 36.990 -58.314 -58.877 0.40 50.62 ? 429 SER C OG 1 ? ? +12314 ATOM O OG B SER C 3 407 ? 36.977 -58.278 -58.889 0.60 50.55 ? 429 SER C OG 1 ? ? +12315 ATOM N N . HIS C 3 408 ? 37.812 -56.832 -56.710 1.00 50.14 ? 430 HIS C N 1 ? ? +12316 ATOM C CA . HIS C 3 408 ? 39.085 -56.732 -56.017 1.00 50.50 ? 430 HIS C CA 1 ? ? +12317 ATOM C CB . HIS C 3 408 ? 40.229 -56.459 -57.009 1.00 50.93 ? 430 HIS C CB 1 ? ? +12318 ATOM C CG . HIS C 3 408 ? 40.536 -57.717 -57.755 1.00 51.50 ? 430 HIS C CG 1 ? ? +12319 ATOM N ND1 . HIS C 3 408 ? 39.855 -58.057 -58.898 1.00 51.59 ? 430 HIS C ND1 1 ? ? +12320 ATOM C CE1 . HIS C 3 408 ? 40.300 -59.249 -59.251 1.00 52.10 ? 430 HIS C CE1 1 ? ? +12321 ATOM N NE2 . HIS C 3 408 ? 41.179 -59.704 -58.367 1.00 52.41 ? 430 HIS C NE2 1 ? ? +12322 ATOM C CD2 . HIS C 3 408 ? 41.311 -58.755 -57.396 1.00 52.03 ? 430 HIS C CD2 1 ? ? +12323 ATOM C C . HIS C 3 408 ? 39.085 -55.764 -54.838 1.00 50.14 ? 430 HIS C C 1 ? ? +12324 ATOM O O . HIS C 3 408 ? 39.933 -55.894 -53.954 1.00 50.35 ? 430 HIS C O 1 ? ? +12325 ATOM N N A PHE C 3 409 ? 38.129 -54.827 -54.807 0.40 49.60 ? 431 PHE C N 1 ? ? +12326 ATOM N N B PHE C 3 409 ? 38.131 -54.824 -54.812 0.60 49.58 ? 431 PHE C N 1 ? ? +12327 ATOM C CA A PHE C 3 409 ? 37.998 -53.968 -53.641 0.40 49.24 ? 431 PHE C CA 1 ? ? +12328 ATOM C CA B PHE C 3 409 ? 37.987 -53.964 -53.649 0.60 49.22 ? 431 PHE C CA 1 ? ? +12329 ATOM C C A PHE C 3 409 ? 37.371 -54.752 -52.495 0.40 49.14 ? 431 PHE C C 1 ? ? +12330 ATOM C C B PHE C 3 409 ? 37.375 -54.756 -52.500 0.60 49.14 ? 431 PHE C C 1 ? ? +12331 ATOM O O A PHE C 3 409 ? 37.767 -54.585 -51.345 0.40 49.12 ? 431 PHE C O 1 ? ? +12332 ATOM O O B PHE C 3 409 ? 37.771 -54.588 -51.350 0.60 49.11 ? 431 PHE C O 1 ? ? +12333 ATOM C CB A PHE C 3 409 ? 37.187 -52.696 -53.906 0.40 48.74 ? 431 PHE C CB 1 ? ? +12334 ATOM C CB B PHE C 3 409 ? 37.139 -52.710 -53.914 0.60 48.74 ? 431 PHE C CB 1 ? ? +12335 ATOM C CG A PHE C 3 409 ? 37.214 -51.760 -52.715 0.40 48.41 ? 431 PHE C CG 1 ? ? +12336 ATOM C CG B PHE C 3 409 ? 37.184 -51.759 -52.733 0.60 48.40 ? 431 PHE C CG 1 ? ? +12337 ATOM C CD2 A PHE C 3 409 ? 38.081 -50.684 -52.679 0.40 48.41 ? 431 PHE C CD2 1 ? ? +12338 ATOM C CD2 B PHE C 3 409 ? 36.344 -51.933 -51.641 0.60 48.10 ? 431 PHE C CD2 1 ? ? +12339 ATOM C CD1 A PHE C 3 409 ? 36.408 -51.987 -51.615 0.40 48.15 ? 431 PHE C CD1 1 ? ? +12340 ATOM C CD1 B PHE C 3 409 ? 38.066 -50.699 -52.713 0.60 48.39 ? 431 PHE C CD1 1 ? ? +12341 ATOM C CE2 A PHE C 3 409 ? 38.123 -49.844 -51.577 0.40 48.13 ? 431 PHE C CE2 1 ? ? +12342 ATOM C CE2 B PHE C 3 409 ? 36.412 -51.077 -50.551 0.60 47.82 ? 431 PHE C CE2 1 ? ? +12343 ATOM C CE1 A PHE C 3 409 ? 36.451 -51.139 -50.516 0.40 47.86 ? 431 PHE C CE1 1 ? ? +12344 ATOM C CE1 B PHE C 3 409 ? 38.125 -49.844 -51.620 0.60 48.10 ? 431 PHE C CE1 1 ? ? +12345 ATOM C CZ A PHE C 3 409 ? 37.307 -50.073 -50.506 0.40 47.86 ? 431 PHE C CZ 1 ? ? +12346 ATOM C CZ B PHE C 3 409 ? 37.300 -50.037 -50.549 0.60 47.82 ? 431 PHE C CZ 1 ? ? +12347 ATOM N N . VAL C 3 410 ? 36.396 -55.607 -52.824 1.00 49.14 ? 432 VAL C N 1 ? ? +12348 ATOM C CA . VAL C 3 410 ? 35.732 -56.439 -51.832 1.00 49.12 ? 432 VAL C CA 1 ? ? +12349 ATOM C CB . VAL C 3 410 ? 34.499 -57.182 -52.427 1.00 49.03 ? 432 VAL C CB 1 ? ? +12350 ATOM C CG1 . VAL C 3 410 ? 34.047 -58.328 -51.536 1.00 49.15 ? 432 VAL C CG1 1 ? ? +12351 ATOM C CG2 . VAL C 3 410 ? 33.345 -56.218 -52.692 1.00 48.49 ? 432 VAL C CG2 1 ? ? +12352 ATOM C C . VAL C 3 410 ? 36.735 -57.415 -51.228 1.00 49.66 ? 432 VAL C C 1 ? ? +12353 ATOM O O . VAL C 3 410 ? 36.834 -57.561 -50.018 1.00 49.64 ? 432 VAL C O 1 ? ? +12354 ATOM N N . LEU C 3 411 ? 37.473 -58.100 -52.092 1.00 50.26 ? 433 LEU C N 1 ? ? +12355 ATOM C CA . LEU C 3 411 ? 38.507 -59.007 -51.638 1.00 50.91 ? 433 LEU C CA 1 ? ? +12356 ATOM C CB . LEU C 3 411 ? 39.107 -59.682 -52.857 1.00 51.44 ? 433 LEU C CB 1 ? ? +12357 ATOM C CG . LEU C 3 411 ? 38.189 -60.638 -53.584 1.00 51.52 ? 433 LEU C CG 1 ? ? +12358 ATOM C CD1 . LEU C 3 411 ? 38.840 -61.158 -54.843 1.00 52.03 ? 433 LEU C CD1 1 ? ? +12359 ATOM C CD2 . LEU C 3 411 ? 37.820 -61.782 -52.710 1.00 51.72 ? 433 LEU C CD2 1 ? ? +12360 ATOM C C . LEU C 3 411 ? 39.573 -58.285 -50.811 1.00 51.04 ? 433 LEU C C 1 ? ? +12361 ATOM O O . LEU C 3 411 ? 39.921 -58.733 -49.719 1.00 51.24 ? 433 LEU C O 1 ? ? +12362 ATOM N N . ALA C 3 412 ? 40.057 -57.142 -51.307 1.00 51.02 ? 434 ALA C N 1 ? ? +12363 ATOM C CA . ALA C 3 412 ? 41.094 -56.396 -50.605 1.00 51.23 ? 434 ALA C CA 1 ? ? +12364 ATOM C CB . ALA C 3 412 ? 41.524 -55.184 -51.417 1.00 51.10 ? 434 ALA C CB 1 ? ? +12365 ATOM C C . ALA C 3 412 ? 40.639 -55.966 -49.212 1.00 50.98 ? 434 ALA C C 1 ? ? +12366 ATOM O O . ALA C 3 412 ? 41.414 -56.027 -48.250 1.00 51.18 ? 434 ALA C O 1 ? ? +12367 ATOM N N . PHE C 3 413 ? 39.371 -55.538 -49.123 1.00 50.54 ? 435 PHE C N 1 ? ? +12368 ATOM C CA . PHE C 3 413 ? 38.805 -55.098 -47.863 1.00 50.28 ? 435 PHE C CA 1 ? ? +12369 ATOM C CB . PHE C 3 413 ? 37.378 -54.554 -48.036 1.00 49.81 ? 435 PHE C CB 1 ? ? +12370 ATOM C CG . PHE C 3 413 ? 36.790 -54.270 -46.690 1.00 49.57 ? 435 PHE C CG 1 ? ? +12371 ATOM C CD1 . PHE C 3 413 ? 37.253 -53.223 -45.928 1.00 49.43 ? 435 PHE C CD1 1 ? ? +12372 ATOM C CD2 . PHE C 3 413 ? 35.831 -55.105 -46.146 1.00 49.63 ? 435 PHE C CD2 1 ? ? +12373 ATOM C CE1 . PHE C 3 413 ? 36.752 -52.995 -44.661 1.00 49.27 ? 435 PHE C CE1 1 ? ? +12374 ATOM C CE2 . PHE C 3 413 ? 35.314 -54.865 -44.882 1.00 49.41 ? 435 PHE C CE2 1 ? ? +12375 ATOM C CZ . PHE C 3 413 ? 35.778 -53.813 -44.146 1.00 49.26 ? 435 PHE C CZ 1 ? ? +12376 ATOM C C . PHE C 3 413 ? 38.782 -56.223 -46.837 1.00 50.60 ? 435 PHE C C 1 ? ? +12377 ATOM O O . PHE C 3 413 ? 39.236 -56.054 -45.707 1.00 50.75 ? 435 PHE C O 1 ? ? +12378 ATOM N N . PHE C 3 414 ? 38.257 -57.378 -47.240 1.00 50.88 ? 436 PHE C N 1 ? ? +12379 ATOM C CA . PHE C 3 414 ? 38.151 -58.507 -46.331 1.00 51.24 ? 436 PHE C CA 1 ? ? +12380 ATOM C CB . PHE C 3 414 ? 37.304 -59.629 -46.933 1.00 51.54 ? 436 PHE C CB 1 ? ? +12381 ATOM C CG . PHE C 3 414 ? 35.830 -59.431 -46.701 1.00 51.21 ? 436 PHE C CG 1 ? ? +12382 ATOM C CD1 . PHE C 3 414 ? 35.318 -59.375 -45.421 1.00 51.19 ? 436 PHE C CD1 1 ? ? +12383 ATOM C CD2 . PHE C 3 414 ? 34.961 -59.294 -47.759 1.00 51.07 ? 436 PHE C CD2 1 ? ? +12384 ATOM C CE1 . PHE C 3 414 ? 33.949 -59.191 -45.206 1.00 50.99 ? 436 PHE C CE1 1 ? ? +12385 ATOM C CE2 . PHE C 3 414 ? 33.599 -59.099 -47.544 1.00 50.78 ? 436 PHE C CE2 1 ? ? +12386 ATOM C CZ . PHE C 3 414 ? 33.101 -59.048 -46.269 1.00 50.68 ? 436 PHE C CZ 1 ? ? +12387 ATOM C C . PHE C 3 414 ? 39.520 -59.032 -45.915 1.00 51.69 ? 436 PHE C C 1 ? ? +12388 ATOM O O . PHE C 3 414 ? 39.672 -59.496 -44.792 1.00 51.83 ? 436 PHE C O 1 ? ? +12389 ATOM N N . PHE C 3 415 ? 40.500 -58.940 -46.820 1.00 51.93 ? 437 PHE C N 1 ? ? +12390 ATOM C CA . PHE C 3 415 ? 41.860 -59.361 -46.514 1.00 52.53 ? 437 PHE C CA 1 ? ? +12391 ATOM C CB . PHE C 3 415 ? 42.699 -59.531 -47.802 1.00 52.89 ? 437 PHE C CB 1 ? ? +12392 ATOM C CG . PHE C 3 415 ? 42.571 -60.946 -48.292 1.00 53.30 ? 437 PHE C CG 1 ? ? +12393 ATOM C CD1 . PHE C 3 415 ? 41.347 -61.448 -48.694 1.00 53.05 ? 437 PHE C CD1 1 ? ? +12394 ATOM C CD2 . PHE C 3 415 ? 43.644 -61.805 -48.250 1.00 53.96 ? 437 PHE C CD2 1 ? ? +12395 ATOM C CE1 . PHE C 3 415 ? 41.214 -62.763 -49.087 1.00 53.45 ? 437 PHE C CE1 1 ? ? +12396 ATOM C CE2 . PHE C 3 415 ? 43.504 -63.119 -48.644 1.00 54.37 ? 437 PHE C CE2 1 ? ? +12397 ATOM C CZ . PHE C 3 415 ? 42.284 -63.593 -49.051 1.00 54.11 ? 437 PHE C CZ 1 ? ? +12398 ATOM C C . PHE C 3 415 ? 42.527 -58.429 -45.507 1.00 52.43 ? 437 PHE C C 1 ? ? +12399 ATOM O O . PHE C 3 415 ? 43.336 -58.880 -44.703 1.00 52.79 ? 437 PHE C O 1 ? ? +12400 ATOM N N . LEU C 3 416 ? 42.130 -57.148 -45.509 1.00 51.94 ? 438 LEU C N 1 ? ? +12401 ATOM C CA . LEU C 3 416 ? 42.579 -56.238 -44.469 1.00 51.81 ? 438 LEU C CA 1 ? ? +12402 ATOM C CB . LEU C 3 416 ? 42.224 -54.794 -44.779 1.00 51.29 ? 438 LEU C CB 1 ? ? +12403 ATOM C CG . LEU C 3 416 ? 42.726 -53.777 -43.756 1.00 51.22 ? 438 LEU C CG 1 ? ? +12404 ATOM C CD1 . LEU C 3 416 ? 44.225 -53.631 -43.790 1.00 51.75 ? 438 LEU C CD1 1 ? ? +12405 ATOM C CD2 . LEU C 3 416 ? 42.105 -52.439 -43.998 1.00 50.70 ? 438 LEU C CD2 1 ? ? +12406 ATOM C C . LEU C 3 416 ? 41.993 -56.638 -43.117 1.00 51.71 ? 438 LEU C C 1 ? ? +12407 ATOM O O . LEU C 3 416 ? 42.713 -56.657 -42.120 1.00 52.12 ? 438 LEU C O 1 ? ? +12408 ATOM N N . VAL C 3 417 ? 40.695 -56.966 -43.096 1.00 51.22 ? 439 VAL C N 1 ? ? +12409 ATOM C CA . VAL C 3 417 ? 40.057 -57.454 -41.886 1.00 51.11 ? 439 VAL C CA 1 ? ? +12410 ATOM C CB . VAL C 3 417 ? 38.542 -57.701 -42.090 1.00 50.67 ? 439 VAL C CB 1 ? ? +12411 ATOM C CG1 . VAL C 3 417 ? 37.937 -58.434 -40.903 1.00 50.73 ? 439 VAL C CG1 1 ? ? +12412 ATOM C CG2 . VAL C 3 417 ? 37.819 -56.396 -42.336 1.00 50.05 ? 439 VAL C CG2 1 ? ? +12413 ATOM C C . VAL C 3 417 ? 40.741 -58.720 -41.384 1.00 51.72 ? 439 VAL C C 1 ? ? +12414 ATOM O O . VAL C 3 417 ? 40.964 -58.870 -40.188 1.00 51.88 ? 439 VAL C O 1 ? ? +12415 ATOM N N . GLY C 3 418 ? 41.047 -59.634 -42.306 1.00 52.11 ? 440 GLY C N 1 ? ? +12416 ATOM C CA . GLY C 3 418 ? 41.774 -60.847 -41.977 1.00 52.74 ? 440 GLY C CA 1 ? ? +12417 ATOM C C . GLY C 3 418 ? 43.133 -60.559 -41.345 1.00 53.15 ? 440 GLY C C 1 ? ? +12418 ATOM O O . GLY C 3 418 ? 43.528 -61.212 -40.378 1.00 53.55 ? 440 GLY C O 1 ? ? +12419 ATOM N N . HIS C 3 419 ? 43.833 -59.563 -41.898 1.00 53.08 ? 441 HIS C N 1 ? ? +12420 ATOM C CA . HIS C 3 419 ? 45.098 -59.115 -41.334 1.00 53.40 ? 441 HIS C CA 1 ? ? +12421 ATOM C CB . HIS C 3 419 ? 45.692 -57.954 -42.148 1.00 53.29 ? 441 HIS C CB 1 ? ? +12422 ATOM C CG . HIS C 3 419 ? 46.809 -57.291 -41.409 1.00 53.63 ? 441 HIS C CG 1 ? ? +12423 ATOM N ND1 . HIS C 3 419 ? 48.012 -57.952 -41.178 1.00 54.32 ? 441 HIS C ND1 1 ? ? +12424 ATOM C CE1 . HIS C 3 419 ? 48.748 -57.123 -40.464 1.00 54.42 ? 441 HIS C CE1 1 ? ? +12425 ATOM N NE2 . HIS C 3 419 ? 48.090 -55.991 -40.208 1.00 53.84 ? 441 HIS C NE2 1 ? ? +12426 ATOM C CD2 . HIS C 3 419 ? 46.849 -56.087 -40.805 1.00 53.32 ? 441 HIS C CD2 1 ? ? +12427 ATOM C C . HIS C 3 419 ? 44.919 -58.687 -39.878 1.00 53.17 ? 441 HIS C C 1 ? ? +12428 ATOM O O . HIS C 3 419 ? 45.623 -59.151 -38.992 1.00 53.53 ? 441 HIS C O 1 ? ? +12429 ATOM N N . LEU C 3 420 ? 43.952 -57.797 -39.634 1.00 52.53 ? 442 LEU C N 1 ? ? +12430 ATOM C CA . LEU C 3 420 ? 43.678 -57.341 -38.279 1.00 52.33 ? 442 LEU C CA 1 ? ? +12431 ATOM C CB . LEU C 3 420 ? 42.516 -56.349 -38.263 1.00 51.58 ? 442 LEU C CB 1 ? ? +12432 ATOM C CG . LEU C 3 420 ? 42.756 -55.028 -38.975 1.00 51.23 ? 442 LEU C CG 1 ? ? +12433 ATOM C CD1 . LEU C 3 420 ? 41.489 -54.186 -38.994 1.00 50.54 ? 442 LEU C CD1 1 ? ? +12434 ATOM C CD2 . LEU C 3 420 ? 43.878 -54.227 -38.352 1.00 51.43 ? 442 LEU C CD2 1 ? ? +12435 ATOM C C . LEU C 3 420 ? 43.351 -58.495 -37.334 1.00 52.62 ? 442 LEU C C 1 ? ? +12436 ATOM O O . LEU C 3 420 ? 43.831 -58.521 -36.195 1.00 52.92 ? 442 LEU C O 1 ? ? +12437 ATOM N N A TRP C 3 421 ? 42.527 -59.434 -37.817 0.40 52.55 ? 443 TRP C N 1 ? ? +12438 ATOM N N B TRP C 3 421 ? 42.525 -59.433 -37.817 0.60 52.56 ? 443 TRP C N 1 ? ? +12439 ATOM C CA A TRP C 3 421 ? 42.112 -60.584 -37.032 0.40 52.79 ? 443 TRP C CA 1 ? ? +12440 ATOM C CA B TRP C 3 421 ? 42.111 -60.584 -37.032 0.60 52.82 ? 443 TRP C CA 1 ? ? +12441 ATOM C C A TRP C 3 421 ? 43.299 -61.444 -36.612 0.40 53.47 ? 443 TRP C C 1 ? ? +12442 ATOM C C B TRP C 3 421 ? 43.300 -61.443 -36.613 0.60 53.48 ? 443 TRP C C 1 ? ? +12443 ATOM O O A TRP C 3 421 ? 43.491 -61.716 -35.428 0.40 53.70 ? 443 TRP C O 1 ? ? +12444 ATOM O O B TRP C 3 421 ? 43.491 -61.718 -35.430 0.60 53.69 ? 443 TRP C O 1 ? ? +12445 ATOM C CB A TRP C 3 421 ? 41.119 -61.449 -37.818 0.40 52.73 ? 443 TRP C CB 1 ? ? +12446 ATOM C CB B TRP C 3 421 ? 41.112 -61.449 -37.817 0.60 52.79 ? 443 TRP C CB 1 ? ? +12447 ATOM C CG A TRP C 3 421 ? 40.635 -62.629 -37.038 0.40 53.08 ? 443 TRP C CG 1 ? ? +12448 ATOM C CG B TRP C 3 421 ? 40.631 -62.633 -37.040 0.60 53.18 ? 443 TRP C CG 1 ? ? +12449 ATOM C CD1 A TRP C 3 421 ? 41.179 -63.877 -37.020 0.40 53.74 ? 443 TRP C CD1 1 ? ? +12450 ATOM C CD1 B TRP C 3 421 ? 41.193 -63.872 -37.011 0.60 53.86 ? 443 TRP C CD1 1 ? ? +12451 ATOM C CD2 A TRP C 3 421 ? 39.503 -62.672 -36.168 0.40 52.81 ? 443 TRP C CD2 1 ? ? +12452 ATOM C CD2 B TRP C 3 421 ? 39.493 -62.689 -36.183 0.60 52.93 ? 443 TRP C CD2 1 ? ? +12453 ATOM N NE1 A TRP C 3 421 ? 40.460 -64.693 -36.180 0.40 53.87 ? 443 TRP C NE1 1 ? ? +12454 ATOM N NE1 B TRP C 3 421 ? 40.479 -64.695 -36.177 0.60 54.00 ? 443 TRP C NE1 1 ? ? +12455 ATOM C CE2 A TRP C 3 421 ? 39.425 -63.976 -35.643 0.40 53.32 ? 443 TRP C CE2 1 ? ? +12456 ATOM C CE2 B TRP C 3 421 ? 39.429 -63.992 -35.654 0.60 53.46 ? 443 TRP C CE2 1 ? ? +12457 ATOM C CE3 A TRP C 3 421 ? 38.543 -61.734 -35.782 0.40 52.23 ? 443 TRP C CE3 1 ? ? +12458 ATOM C CE3 B TRP C 3 421 ? 38.514 -61.765 -35.814 0.60 52.37 ? 443 TRP C CE3 1 ? ? +12459 ATOM C CZ2 A TRP C 3 421 ? 38.426 -64.362 -34.755 0.40 53.26 ? 443 TRP C CZ2 1 ? ? +12460 ATOM C CZ2 B TRP C 3 421 ? 38.426 -64.391 -34.775 0.60 53.43 ? 443 TRP C CZ2 1 ? ? +12461 ATOM C CZ3 A TRP C 3 421 ? 37.556 -62.119 -34.898 0.40 52.15 ? 443 TRP C CZ3 1 ? ? +12462 ATOM C CZ3 B TRP C 3 421 ? 37.521 -62.160 -34.938 0.60 52.31 ? 443 TRP C CZ3 1 ? ? +12463 ATOM C CH2 A TRP C 3 421 ? 37.502 -63.419 -34.398 0.40 52.67 ? 443 TRP C CH2 1 ? ? +12464 ATOM C CH2 B TRP C 3 421 ? 37.481 -63.461 -34.434 0.60 52.83 ? 443 TRP C CH2 1 ? ? +12465 ATOM N N . HIS C 3 422 ? 44.085 -61.873 -37.602 1.00 53.81 ? 444 HIS C N 1 ? ? +12466 ATOM C CA . HIS C 3 422 ? 45.222 -62.745 -37.355 1.00 54.52 ? 444 HIS C CA 1 ? ? +12467 ATOM C CB . HIS C 3 422 ? 45.638 -63.428 -38.656 1.00 54.89 ? 444 HIS C CB 1 ? ? +12468 ATOM C CG . HIS C 3 422 ? 44.663 -64.492 -39.061 1.00 54.96 ? 444 HIS C CG 1 ? ? +12469 ATOM N ND1 . HIS C 3 422 ? 44.456 -65.605 -38.275 1.00 55.37 ? 444 HIS C ND1 1 ? ? +12470 ATOM C CE1 . HIS C 3 422 ? 43.555 -66.328 -38.907 1.00 55.29 ? 444 HIS C CE1 1 ? ? +12471 ATOM N NE2 . HIS C 3 422 ? 43.154 -65.723 -40.030 1.00 54.87 ? 444 HIS C NE2 1 ? ? +12472 ATOM C CD2 . HIS C 3 422 ? 43.850 -64.563 -40.138 1.00 54.67 ? 444 HIS C CD2 1 ? ? +12473 ATOM C C . HIS C 3 422 ? 46.404 -62.056 -36.678 1.00 54.63 ? 444 HIS C C 1 ? ? +12474 ATOM O O . HIS C 3 422 ? 47.059 -62.665 -35.847 1.00 55.15 ? 444 HIS C O 1 ? ? +12475 ATOM N N . ALA C 3 423 ? 46.656 -60.787 -36.999 1.00 54.21 ? 445 ALA C N 1 ? ? +12476 ATOM C CA . ALA C 3 423 ? 47.745 -60.053 -36.368 1.00 54.46 ? 445 ALA C CA 1 ? ? +12477 ATOM C CB . ALA C 3 423 ? 47.984 -58.720 -37.051 1.00 54.09 ? 445 ALA C CB 1 ? ? +12478 ATOM C C . ALA C 3 423 ? 47.455 -59.839 -34.886 1.00 54.34 ? 445 ALA C C 1 ? ? +12479 ATOM O O . ALA C 3 423 ? 48.336 -59.991 -34.046 1.00 54.84 ? 445 ALA C O 1 ? ? +12480 ATOM N N . GLY C 3 424 ? 46.206 -59.489 -34.573 1.00 53.69 ? 446 GLY C N 1 ? ? +12481 ATOM C CA . GLY C 3 424 ? 45.799 -59.309 -33.191 1.00 53.58 ? 446 GLY C CA 1 ? ? +12482 ATOM C C . GLY C 3 424 ? 45.905 -60.598 -32.385 1.00 54.13 ? 446 GLY C C 1 ? ? +12483 ATOM O O . GLY C 3 424 ? 46.323 -60.582 -31.231 1.00 54.45 ? 446 GLY C O 1 ? ? +12484 ATOM N N . ARG C 3 425 ? 45.509 -61.706 -33.015 1.00 54.31 ? 447 ARG C N 1 ? ? +12485 ATOM C CA . ARG C 3 425 ? 45.500 -63.006 -32.367 1.00 54.87 ? 447 ARG C CA 1 ? ? +12486 ATOM C CB . ARG C 3 425 ? 44.607 -63.988 -33.151 1.00 54.76 ? 447 ARG C CB 1 ? ? +12487 ATOM C CG . ARG C 3 425 ? 44.227 -65.221 -32.342 1.00 55.18 ? 447 ARG C CG 1 ? ? +12488 ATOM C CD . ARG C 3 425 ? 43.531 -66.287 -33.170 1.00 55.26 ? 447 ARG C CD 1 ? ? +12489 ATOM N NE . ARG C 3 425 ? 43.168 -67.456 -32.375 1.00 55.72 ? 447 ARG C NE 1 ? ? +12490 ATOM C CZ . ARG C 3 425 ? 44.014 -68.379 -31.951 1.00 56.44 ? 447 ARG C CZ 1 ? ? +12491 ATOM N NH1 . ARG C 3 425 ? 45.229 -68.474 -32.446 1.00 56.90 ? 447 ARG C NH1 1 ? ? +12492 ATOM N NH2 . ARG C 3 425 ? 43.621 -69.248 -31.027 1.00 56.79 ? 447 ARG C NH2 1 ? ? +12493 ATOM C C . ARG C 3 425 ? 46.918 -63.568 -32.240 1.00 55.73 ? 447 ARG C C 1 ? ? +12494 ATOM O O . ARG C 3 425 ? 47.234 -64.236 -31.262 1.00 56.24 ? 447 ARG C O 1 ? ? +12495 ATOM N N . ALA C 3 426 ? 47.761 -63.328 -33.247 1.00 55.93 ? 448 ALA C N 1 ? ? +12496 ATOM C CA . ALA C 3 426 ? 49.150 -63.758 -33.196 1.00 56.78 ? 448 ALA C CA 1 ? ? +12497 ATOM C CB . ALA C 3 426 ? 49.868 -63.390 -34.478 1.00 56.82 ? 448 ALA C CB 1 ? ? +12498 ATOM C C . ALA C 3 426 ? 49.834 -63.122 -31.992 1.00 57.09 ? 448 ALA C C 1 ? ? +12499 ATOM O O . ALA C 3 426 ? 50.500 -63.805 -31.218 1.00 57.81 ? 448 ALA C O 1 ? ? +12500 ATOM N N . ARG C 3 427 ? 49.627 -61.810 -31.838 1.00 56.66 ? 449 ARG C N 1 ? ? +12501 ATOM C CA . ARG C 3 427 ? 50.151 -61.055 -30.712 1.00 56.84 ? 449 ARG C CA 1 ? ? +12502 ATOM C CB . ARG C 3 427 ? 49.742 -59.580 -30.819 1.00 56.25 ? 449 ARG C CB 1 ? ? +12503 ATOM C CG . ARG C 3 427 ? 50.669 -58.717 -31.666 1.00 56.45 ? 449 ARG C CG 1 ? ? +12504 ATOM C CD . ARG C 3 427 ? 51.851 -58.221 -30.860 1.00 57.11 ? 449 ARG C CD 1 ? ? +12505 ATOM N NE . ARG C 3 427 ? 52.760 -57.412 -31.667 1.00 57.40 ? 449 ARG C NE 1 ? ? +12506 ATOM C CZ . ARG C 3 427 ? 53.221 -56.209 -31.339 1.00 57.42 ? 449 ARG C CZ 1 ? ? +12507 ATOM N NH1 . ARG C 3 427 ? 53.093 -55.720 -30.114 1.00 57.37 ? 449 ARG C NH1 1 ? ? +12508 ATOM N NH2 . ARG C 3 427 ? 53.856 -55.491 -32.261 1.00 57.56 ? 449 ARG C NH2 1 ? ? +12509 ATOM C C . ARG C 3 427 ? 49.673 -61.626 -29.383 1.00 56.92 ? 449 ARG C C 1 ? ? +12510 ATOM O O . ARG C 3 427 ? 50.479 -61.886 -28.501 1.00 57.54 ? 449 ARG C O 1 ? ? +12511 ATOM N N . ALA C 3 428 ? 48.360 -61.834 -29.258 1.00 56.39 ? 450 ALA C N 1 ? ? +12512 ATOM C CA . ALA C 3 428 ? 47.772 -62.302 -28.013 1.00 56.47 ? 450 ALA C CA 1 ? ? +12513 ATOM C CB . ALA C 3 428 ? 46.252 -62.216 -28.099 1.00 55.76 ? 450 ALA C CB 1 ? ? +12514 ATOM C C . ALA C 3 428 ? 48.206 -63.722 -27.646 1.00 57.23 ? 450 ALA C C 1 ? ? +12515 ATOM O O . ALA C 3 428 ? 48.421 -64.020 -26.472 1.00 57.60 ? 450 ALA C O 1 ? ? +12516 ATOM N N . ALA C 3 429 ? 48.331 -64.591 -28.657 1.00 57.50 ? 451 ALA C N 1 ? ? +12517 ATOM C CA . ALA C 3 429 ? 48.739 -65.969 -28.450 1.00 58.31 ? 451 ALA C CA 1 ? ? +12518 ATOM C CB . ALA C 3 429 ? 48.475 -66.780 -29.704 1.00 58.32 ? 451 ALA C CB 1 ? ? +12519 ATOM C C . ALA C 3 429 ? 50.204 -66.092 -28.030 1.00 59.15 ? 451 ALA C C 1 ? ? +12520 ATOM O O . ALA C 3 429 ? 50.526 -66.894 -27.157 1.00 59.65 ? 451 ALA C O 1 ? ? +12521 ATOM N N . ALA C 3 430 ? 51.077 -65.282 -28.642 1.00 59.31 ? 452 ALA C N 1 ? ? +12522 ATOM C CA . ALA C 3 430 ? 52.492 -65.263 -28.286 1.00 60.20 ? 452 ALA C CA 1 ? ? +12523 ATOM C CB . ALA C 3 430 ? 53.293 -64.393 -29.255 1.00 60.12 ? 452 ALA C CB 1 ? ? +12524 ATOM C C . ALA C 3 430 ? 52.694 -64.777 -26.852 1.00 60.49 ? 452 ALA C C 1 ? ? +12525 ATOM O O . ALA C 3 430 ? 53.588 -65.252 -26.157 1.00 61.44 ? 452 ALA C O 1 ? ? +12526 ATOM N N . ALA C 3 431 ? 51.853 -63.834 -26.411 1.00 59.85 ? 453 ALA C N 1 ? ? +12527 ATOM C CA . ALA C 3 431 ? 51.945 -63.307 -25.060 1.00 60.00 ? 453 ALA C CA 1 ? ? +12528 ATOM C CB . ALA C 3 431 ? 51.456 -61.883 -25.023 1.00 59.24 ? 453 ALA C CB 1 ? ? +12529 ATOM C C . ALA C 3 431 ? 51.172 -64.183 -24.077 1.00 60.23 ? 453 ALA C C 1 ? ? +12530 ATOM O O . ALA C 3 431 ? 51.326 -64.065 -22.865 1.00 60.54 ? 453 ALA C O 1 ? ? +12531 ATOM N N . GLY C 3 432 ? 50.325 -65.058 -24.618 1.00 60.21 ? 454 GLY C N 1 ? ? +12532 ATOM C CA . GLY C 3 432 ? 49.679 -66.098 -23.837 1.00 60.55 ? 454 GLY C CA 1 ? ? +12533 ATOM C C . GLY C 3 432 ? 48.344 -65.737 -23.183 1.00 59.96 ? 454 GLY C C 1 ? ? +12534 ATOM O O . GLY C 3 432 ? 48.042 -66.259 -22.117 1.00 60.29 ? 454 GLY C O 1 ? ? +12535 ATOM N N A PHE C 3 433 ? 47.553 -64.869 -23.825 0.40 59.20 ? 455 PHE C N 1 ? ? +12536 ATOM N N B PHE C 3 433 ? 47.555 -64.867 -23.824 0.60 59.16 ? 455 PHE C N 1 ? ? +12537 ATOM C CA A PHE C 3 433 ? 46.227 -64.533 -23.321 0.40 58.68 ? 455 PHE C CA 1 ? ? +12538 ATOM C CA B PHE C 3 433 ? 46.226 -64.538 -23.322 0.60 58.63 ? 455 PHE C CA 1 ? ? +12539 ATOM C C A PHE C 3 433 ? 45.170 -64.455 -24.425 0.40 58.05 ? 455 PHE C C 1 ? ? +12540 ATOM C C B PHE C 3 433 ? 45.158 -64.475 -24.419 0.60 58.00 ? 455 PHE C C 1 ? ? +12541 ATOM O O A PHE C 3 433 ? 44.233 -63.666 -24.342 0.40 57.41 ? 455 PHE C O 1 ? ? +12542 ATOM O O B PHE C 3 433 ? 44.188 -63.732 -24.305 0.60 57.37 ? 455 PHE C O 1 ? ? +12543 ATOM C CB A PHE C 3 433 ? 46.272 -63.222 -22.496 0.40 58.36 ? 455 PHE C CB 1 ? ? +12544 ATOM C CB B PHE C 3 433 ? 46.268 -63.224 -22.495 0.60 58.28 ? 455 PHE C CB 1 ? ? +12545 ATOM C CG A PHE C 3 433 ? 46.990 -62.052 -23.128 0.40 58.15 ? 455 PHE C CG 1 ? ? +12546 ATOM C CG B PHE C 3 433 ? 46.989 -62.052 -23.121 0.60 58.07 ? 455 PHE C CG 1 ? ? +12547 ATOM C CD1 A PHE C 3 433 ? 46.388 -61.300 -24.120 0.40 57.42 ? 455 PHE C CD1 1 ? ? +12548 ATOM C CD1 B PHE C 3 433 ? 46.391 -61.296 -24.114 0.60 57.32 ? 455 PHE C CD1 1 ? ? +12549 ATOM C CD2 A PHE C 3 433 ? 48.273 -61.708 -22.732 0.40 58.76 ? 455 PHE C CD2 1 ? ? +12550 ATOM C CD2 B PHE C 3 433 ? 48.278 -61.714 -22.722 0.60 58.67 ? 455 PHE C CD2 1 ? ? +12551 ATOM C CE1 A PHE C 3 433 ? 47.051 -60.222 -24.697 0.40 57.23 ? 455 PHE C CE1 1 ? ? +12552 ATOM C CE1 B PHE C 3 433 ? 47.061 -60.216 -24.689 0.60 57.14 ? 455 PHE C CE1 1 ? ? +12553 ATOM C CE2 A PHE C 3 433 ? 48.935 -60.634 -23.312 0.40 58.53 ? 455 PHE C CE2 1 ? ? +12554 ATOM C CE2 B PHE C 3 433 ? 48.946 -60.640 -23.300 0.60 58.44 ? 455 PHE C CE2 1 ? ? +12555 ATOM C CZ A PHE C 3 433 ? 48.322 -59.899 -24.293 0.40 57.79 ? 455 PHE C CZ 1 ? ? +12556 ATOM C CZ B PHE C 3 433 ? 48.335 -59.897 -24.281 0.60 57.71 ? 455 PHE C CZ 1 ? ? +12557 ATOM N N A GLU C 3 434 ? 45.305 -65.317 -25.439 0.40 58.34 ? 456 GLU C N 1 ? ? +12558 ATOM N N B GLU C 3 434 ? 45.308 -65.313 -25.451 0.60 58.27 ? 456 GLU C N 1 ? ? +12559 ATOM C CA A GLU C 3 434 ? 44.374 -65.336 -26.554 0.40 57.83 ? 456 GLU C CA 1 ? ? +12560 ATOM C CA B GLU C 3 434 ? 44.369 -65.336 -26.560 0.60 57.76 ? 456 GLU C CA 1 ? ? +12561 ATOM C C A GLU C 3 434 ? 43.094 -66.091 -26.205 0.40 57.85 ? 456 GLU C C 1 ? ? +12562 ATOM C C B GLU C 3 434 ? 43.077 -66.066 -26.195 0.60 57.78 ? 456 GLU C C 1 ? ? +12563 ATOM O O A GLU C 3 434 ? 42.112 -66.029 -26.947 0.40 57.33 ? 456 GLU C O 1 ? ? +12564 ATOM O O B GLU C 3 434 ? 42.070 -65.934 -26.894 0.60 57.23 ? 456 GLU C O 1 ? ? +12565 ATOM C CB A GLU C 3 434 ? 45.013 -65.971 -27.794 0.40 58.09 ? 456 GLU C CB 1 ? ? +12566 ATOM C CB B GLU C 3 434 ? 45.004 -65.975 -27.807 0.60 58.03 ? 456 GLU C CB 1 ? ? +12567 ATOM C CG A GLU C 3 434 ? 44.971 -67.486 -27.825 0.40 58.69 ? 456 GLU C CG 1 ? ? +12568 ATOM C CG B GLU C 3 434 ? 44.986 -67.494 -27.854 0.60 58.64 ? 456 GLU C CG 1 ? ? +12569 ATOM C CD A GLU C 3 434 ? 45.994 -68.223 -26.979 0.40 59.59 ? 456 GLU C CD 1 ? ? +12570 ATOM C CD B GLU C 3 434 ? 46.019 -68.221 -27.011 0.60 59.58 ? 456 GLU C CD 1 ? ? +12571 ATOM O OE1 A GLU C 3 434 ? 46.735 -67.570 -26.207 0.40 59.75 ? 456 GLU C OE1 1 ? ? +12572 ATOM O OE1 B GLU C 3 434 ? 46.725 -67.566 -26.207 0.60 59.74 ? 456 GLU C OE1 1 ? ? +12573 ATOM O OE2 A GLU C 3 434 ? 46.045 -69.471 -27.089 0.40 60.13 ? 456 GLU C OE2 1 ? ? +12574 ATOM O OE2 B GLU C 3 434 ? 46.133 -69.458 -27.179 0.60 60.14 ? 456 GLU C OE2 1 ? ? +12575 ATOM N N A LYS C 3 435 ? 43.121 -66.796 -25.068 0.40 58.51 ? 457 LYS C N 1 ? ? +12576 ATOM N N B LYS C 3 435 ? 43.119 -66.836 -25.100 0.60 58.47 ? 457 LYS C N 1 ? ? +12577 ATOM C CA A LYS C 3 435 ? 41.988 -67.595 -24.629 0.40 58.67 ? 457 LYS C CA 1 ? ? +12578 ATOM C CA B LYS C 3 435 ? 41.974 -67.610 -24.649 0.60 58.63 ? 457 LYS C CA 1 ? ? +12579 ATOM C C A LYS C 3 435 ? 41.215 -66.941 -23.490 0.40 58.42 ? 457 LYS C C 1 ? ? +12580 ATOM C C B LYS C 3 435 ? 41.203 -66.939 -23.518 0.60 58.36 ? 457 LYS C C 1 ? ? +12581 ATOM O O A LYS C 3 435 ? 40.258 -67.518 -22.989 0.40 58.44 ? 457 LYS C O 1 ? ? +12582 ATOM O O B LYS C 3 435 ? 40.212 -67.486 -23.055 0.60 58.34 ? 457 LYS C O 1 ? ? +12583 ATOM C CB A LYS C 3 435 ? 42.452 -68.976 -24.166 0.40 59.58 ? 457 LYS C CB 1 ? ? +12584 ATOM C CB B LYS C 3 435 ? 42.433 -68.989 -24.174 0.60 59.56 ? 457 LYS C CB 1 ? ? +12585 ATOM C CG A LYS C 3 435 ? 43.077 -69.797 -25.266 0.40 60.01 ? 457 LYS C CG 1 ? ? +12586 ATOM C CG B LYS C 3 435 ? 43.062 -69.819 -25.268 0.60 60.03 ? 457 LYS C CG 1 ? ? +12587 ATOM C CD A LYS C 3 435 ? 43.721 -71.065 -24.761 0.40 60.98 ? 457 LYS C CD 1 ? ? +12588 ATOM C CD B LYS C 3 435 ? 43.714 -71.080 -24.757 0.60 61.00 ? 457 LYS C CD 1 ? ? +12589 ATOM C CE A LYS C 3 435 ? 44.330 -71.846 -25.891 0.40 61.38 ? 457 LYS C CE 1 ? ? +12590 ATOM C CE B LYS C 3 435 ? 44.229 -71.904 -25.903 0.60 61.40 ? 457 LYS C CE 1 ? ? +12591 ATOM N NZ A LYS C 3 435 ? 45.188 -72.939 -25.388 0.40 62.39 ? 457 LYS C NZ 1 ? ? +12592 ATOM N NZ B LYS C 3 435 ? 45.104 -72.992 -25.436 0.60 62.44 ? 457 LYS C NZ 1 ? ? +12593 ATOM N N A GLY C 3 436 ? 41.657 -65.748 -23.078 0.40 58.30 ? 458 GLY C N 1 ? ? +12594 ATOM N N B GLY C 3 436 ? 41.682 -65.773 -23.064 0.60 58.27 ? 458 GLY C N 1 ? ? +12595 ATOM C CA A GLY C 3 436 ? 40.995 -65.013 -22.015 0.40 58.06 ? 458 GLY C CA 1 ? ? +12596 ATOM C CA B GLY C 3 436 ? 41.019 -65.027 -22.008 0.60 58.02 ? 458 GLY C CA 1 ? ? +12597 ATOM C C A GLY C 3 436 ? 41.932 -64.574 -20.894 0.40 58.57 ? 458 GLY C C 1 ? ? +12598 ATOM C C B GLY C 3 436 ? 41.949 -64.599 -20.878 0.60 58.53 ? 458 GLY C C 1 ? ? +12599 ATOM O O A GLY C 3 436 ? 43.123 -64.871 -20.913 0.40 59.14 ? 458 GLY C O 1 ? ? +12600 ATOM O O B GLY C 3 436 ? 43.123 -64.960 -20.852 0.60 59.13 ? 458 GLY C O 1 ? ? +12601 ATOM N N A ILE C 3 437 ? 41.357 -63.871 -19.915 0.40 58.42 ? 459 ILE C N 1 ? ? +12602 ATOM N N B ILE C 3 437 ? 41.384 -63.834 -19.942 0.60 58.36 ? 459 ILE C N 1 ? ? +12603 ATOM C CA A ILE C 3 437 ? 42.094 -63.366 -18.771 0.40 58.84 ? 459 ILE C CA 1 ? ? +12604 ATOM C CA B ILE C 3 437 ? 42.105 -63.325 -18.789 0.60 58.77 ? 459 ILE C CA 1 ? ? +12605 ATOM C C A ILE C 3 437 ? 42.144 -64.410 -17.663 0.40 59.69 ? 459 ILE C C 1 ? ? +12606 ATOM C C B ILE C 3 437 ? 42.160 -64.390 -17.700 0.60 59.62 ? 459 ILE C C 1 ? ? +12607 ATOM O O A ILE C 3 437 ? 41.115 -64.952 -17.266 0.40 59.70 ? 459 ILE C O 1 ? ? +12608 ATOM O O B ILE C 3 437 ? 41.136 -64.967 -17.343 0.60 59.65 ? 459 ILE C O 1 ? ? +12609 ATOM C CB A ILE C 3 437 ? 41.438 -62.065 -18.267 0.40 58.22 ? 459 ILE C CB 1 ? ? +12610 ATOM C CB B ILE C 3 437 ? 41.418 -62.040 -18.276 0.60 58.14 ? 459 ILE C CB 1 ? ? +12611 ATOM C CG1 A ILE C 3 437 ? 41.414 -61.005 -19.375 0.40 57.56 ? 459 ILE C CG1 1 ? ? +12612 ATOM C CG1 B ILE C 3 437 ? 41.409 -60.952 -19.361 0.60 57.49 ? 459 ILE C CG1 1 ? ? +12613 ATOM C CG2 A ILE C 3 437 ? 42.121 -61.554 -17.005 0.40 58.57 ? 459 ILE C CG2 1 ? ? +12614 ATOM C CG2 B ILE C 3 437 ? 42.058 -61.538 -16.996 0.60 58.48 ? 459 ILE C CG2 1 ? ? +12615 ATOM C CD1 A ILE C 3 437 ? 40.484 -59.881 -19.123 0.40 56.88 ? 459 ILE C CD1 1 ? ? +12616 ATOM C CD1 B ILE C 3 437 ? 40.413 -59.866 -19.144 0.60 56.78 ? 459 ILE C CD1 1 ? ? +12617 ATOM N N A ASP C 3 438 ? 43.357 -64.672 -17.171 0.40 60.49 ? 460 ASP C N 1 ? ? +12618 ATOM N N B ASP C 3 438 ? 43.363 -64.628 -17.171 0.60 60.43 ? 460 ASP C N 1 ? ? +12619 ATOM C CA A ASP C 3 438 ? 43.556 -65.506 -16.001 0.40 61.33 ? 460 ASP C CA 1 ? ? +12620 ATOM C CA B ASP C 3 438 ? 43.545 -65.487 -16.016 0.60 61.27 ? 460 ASP C CA 1 ? ? +12621 ATOM C C A ASP C 3 438 ? 42.937 -64.798 -14.797 0.40 61.20 ? 460 ASP C C 1 ? ? +12622 ATOM C C B ASP C 3 438 ? 42.929 -64.798 -14.800 0.60 61.14 ? 460 ASP C C 1 ? ? +12623 ATOM O O A ASP C 3 438 ? 43.291 -63.661 -14.488 0.40 60.93 ? 460 ASP C O 1 ? ? +12624 ATOM O O B ASP C 3 438 ? 43.289 -63.669 -14.476 0.60 60.88 ? 460 ASP C O 1 ? ? +12625 ATOM C CB A ASP C 3 438 ? 45.059 -65.774 -15.803 0.40 62.10 ? 460 ASP C CB 1 ? ? +12626 ATOM C CB B ASP C 3 438 ? 45.045 -65.779 -15.801 0.60 62.07 ? 460 ASP C CB 1 ? ? +12627 ATOM C CG A ASP C 3 438 ? 45.379 -66.703 -14.666 0.40 63.01 ? 460 ASP C CG 1 ? ? +12628 ATOM C CG B ASP C 3 438 ? 45.348 -66.729 -14.674 0.60 63.00 ? 460 ASP C CG 1 ? ? +12629 ATOM O OD1 A ASP C 3 438 ? 44.441 -67.186 -14.020 0.40 63.06 ? 460 ASP C OD1 1 ? ? +12630 ATOM O OD1 B ASP C 3 438 ? 44.405 -67.275 -14.093 0.60 63.09 ? 460 ASP C OD1 1 ? ? +12631 ATOM O OD2 A ASP C 3 438 ? 46.573 -66.934 -14.409 0.40 63.86 ? 460 ASP C OD2 1 ? ? +12632 ATOM O OD2 B ASP C 3 438 ? 46.537 -66.922 -14.365 0.60 63.96 ? 460 ASP C OD2 1 ? ? +12633 ATOM N N A ARG C 3 439 ? 41.998 -65.476 -14.130 0.40 61.44 ? 461 ARG C N 1 ? ? +12634 ATOM N N B ARG C 3 439 ? 41.988 -65.480 -14.140 0.60 61.36 ? 461 ARG C N 1 ? ? +12635 ATOM C CA A ARG C 3 439 ? 41.282 -64.892 -13.008 0.40 61.34 ? 461 ARG C CA 1 ? ? +12636 ATOM C CA B ARG C 3 439 ? 41.277 -64.904 -13.011 0.60 61.26 ? 461 ARG C CA 1 ? ? +12637 ATOM C C A ARG C 3 439 ? 42.195 -64.574 -11.827 0.40 62.12 ? 461 ARG C C 1 ? ? +12638 ATOM C C B ARG C 3 439 ? 42.194 -64.579 -11.833 0.60 62.07 ? 461 ARG C C 1 ? ? +12639 ATOM O O A ARG C 3 439 ? 42.006 -63.568 -11.147 0.40 61.84 ? 461 ARG C O 1 ? ? +12640 ATOM O O B ARG C 3 439 ? 42.008 -63.568 -11.164 0.60 61.77 ? 461 ARG C O 1 ? ? +12641 ATOM C CB A ARG C 3 439 ? 40.164 -65.833 -12.548 0.40 61.41 ? 461 ARG C CB 1 ? ? +12642 ATOM C CB B ARG C 3 439 ? 40.164 -65.854 -12.550 0.60 61.30 ? 461 ARG C CB 1 ? ? +12643 ATOM C CG A ARG C 3 439 ? 39.006 -65.940 -13.523 0.40 60.70 ? 461 ARG C CG 1 ? ? +12644 ATOM C CG B ARG C 3 439 ? 39.009 -65.955 -13.521 0.60 60.58 ? 461 ARG C CG 1 ? ? +12645 ATOM C CD A ARG C 3 439 ? 37.855 -66.731 -12.934 0.40 60.83 ? 461 ARG C CD 1 ? ? +12646 ATOM C CD B ARG C 3 439 ? 37.881 -66.792 -12.955 0.60 60.72 ? 461 ARG C CD 1 ? ? +12647 ATOM N NE A ARG C 3 439 ? 36.761 -66.885 -13.884 0.40 60.28 ? 461 ARG C NE 1 ? ? +12648 ATOM N NE B ARG C 3 439 ? 36.775 -66.915 -13.896 0.60 60.15 ? 461 ARG C NE 1 ? ? +12649 ATOM C CZ A ARG C 3 439 ? 35.631 -66.192 -13.841 0.40 59.63 ? 461 ARG C CZ 1 ? ? +12650 ATOM C CZ B ARG C 3 439 ? 35.660 -66.193 -13.851 0.60 59.50 ? 461 ARG C CZ 1 ? ? +12651 ATOM N NH1 A ARG C 3 439 ? 35.419 -65.272 -12.917 0.40 59.41 ? 461 ARG C NH1 1 ? ? +12652 ATOM N NH1 B ARG C 3 439 ? 35.474 -65.262 -12.933 0.60 59.29 ? 461 ARG C NH1 1 ? ? +12653 ATOM N NH2 A ARG C 3 439 ? 34.695 -66.416 -14.759 0.40 59.26 ? 461 ARG C NH2 1 ? ? +12654 ATOM N NH2 B ARG C 3 439 ? 34.717 -66.394 -14.766 0.60 59.14 ? 461 ARG C NH2 1 ? ? +12655 ATOM N N . GLU C 3 440 ? 43.189 -65.437 -11.584 1.00 63.20 ? 462 GLU C N 1 ? ? +12656 ATOM C CA . GLU C 3 440 ? 44.071 -65.273 -10.436 1.00 64.22 ? 462 GLU C CA 1 ? ? +12657 ATOM C CB . GLU C 3 440 ? 44.734 -66.579 -9.981 1.00 66.07 ? 462 GLU C CB 1 ? ? +12658 ATOM C CG . GLU C 3 440 ? 44.001 -67.865 -10.267 1.00 67.15 ? 462 GLU C CG 1 ? ? +12659 ATOM C CD . GLU C 3 440 ? 42.582 -67.971 -9.768 1.00 67.76 ? 462 GLU C CD 1 ? ? +12660 ATOM O OE1 . GLU C 3 440 ? 42.197 -67.263 -8.805 1.00 68.52 ? 462 GLU C OE1 1 ? ? +12661 ATOM O OE2 . GLU C 3 440 ? 41.838 -68.771 -10.381 1.00 68.71 ? 462 GLU C OE2 1 ? ? +12662 ATOM C C . GLU C 3 440 ? 45.190 -64.271 -10.709 1.00 63.79 ? 462 GLU C C 1 ? ? +12663 ATOM O O . GLU C 3 440 ? 45.949 -63.933 -9.809 1.00 64.52 ? 462 GLU C O 1 ? ? +12664 ATOM N N . SER C 3 441 ? 45.299 -63.791 -11.950 1.00 62.91 ? 463 SER C N 1 ? ? +12665 ATOM C CA . SER C 3 441 ? 46.386 -62.915 -12.345 1.00 62.59 ? 463 SER C CA 1 ? ? +12666 ATOM C CB . SER C 3 441 ? 47.498 -63.773 -12.941 1.00 63.45 ? 463 SER C CB 1 ? ? +12667 ATOM O OG . SER C 3 441 ? 48.624 -63.024 -13.358 1.00 63.85 ? 463 SER C OG 1 ? ? +12668 ATOM C C . SER C 3 441 ? 45.920 -61.859 -13.343 1.00 61.21 ? 463 SER C C 1 ? ? +12669 ATOM O O . SER C 3 441 ? 46.601 -61.594 -14.325 1.00 61.11 ? 463 SER C O 1 ? ? +12670 ATOM N N A GLU C 3 442 ? 44.748 -61.269 -13.079 0.40 60.34 ? 464 GLU C N 1 ? ? +12671 ATOM N N B GLU C 3 442 ? 44.753 -61.265 -13.074 0.60 60.32 ? 464 GLU C N 1 ? ? +12672 ATOM C CA A GLU C 3 442 ? 44.169 -60.268 -13.957 0.40 59.26 ? 464 GLU C CA 1 ? ? +12673 ATOM C CA B GLU C 3 442 ? 44.172 -60.263 -13.949 0.60 59.22 ? 464 GLU C CA 1 ? ? +12674 ATOM C C A GLU C 3 442 ? 45.008 -58.992 -13.938 0.40 59.03 ? 464 GLU C C 1 ? ? +12675 ATOM C C B GLU C 3 442 ? 45.014 -58.989 -13.933 0.60 59.01 ? 464 GLU C C 1 ? ? +12676 ATOM O O A GLU C 3 442 ? 45.066 -58.314 -12.916 0.40 59.10 ? 464 GLU C O 1 ? ? +12677 ATOM O O B GLU C 3 442 ? 45.074 -58.308 -12.912 0.60 59.10 ? 464 GLU C O 1 ? ? +12678 ATOM C CB A GLU C 3 442 ? 42.737 -59.962 -13.522 0.40 58.61 ? 464 GLU C CB 1 ? ? +12679 ATOM C CB B GLU C 3 442 ? 42.741 -59.955 -13.509 0.60 58.53 ? 464 GLU C CB 1 ? ? +12680 ATOM C CG A GLU C 3 442 ? 42.086 -58.888 -14.359 0.40 57.69 ? 464 GLU C CG 1 ? ? +12681 ATOM C CG B GLU C 3 442 ? 42.083 -58.887 -14.350 0.60 57.58 ? 464 GLU C CG 1 ? ? +12682 ATOM C CD A GLU C 3 442 ? 40.579 -58.824 -14.233 0.40 57.11 ? 464 GLU C CD 1 ? ? +12683 ATOM C CD B GLU C 3 442 ? 40.574 -58.830 -14.225 0.60 56.99 ? 464 GLU C CD 1 ? ? +12684 ATOM O OE1 A GLU C 3 442 ? 40.018 -59.561 -13.390 0.40 57.41 ? 464 GLU C OE1 1 ? ? +12685 ATOM O OE1 B GLU C 3 442 ? 40.010 -59.547 -13.366 0.60 57.29 ? 464 GLU C OE1 1 ? ? +12686 ATOM O OE2 A GLU C 3 442 ? 39.958 -58.050 -14.995 0.40 56.30 ? 464 GLU C OE2 1 ? ? +12687 ATOM O OE2 B GLU C 3 442 ? 39.955 -58.080 -15.010 0.60 56.13 ? 464 GLU C OE2 1 ? ? +12688 ATOM N N . PRO C 3 443 ? 45.682 -58.616 -15.053 1.00 58.72 ? 465 PRO C N 1 ? ? +12689 ATOM C CA . PRO C 3 443 ? 46.578 -57.461 -15.057 1.00 58.60 ? 465 PRO C CA 1 ? ? +12690 ATOM C CB . PRO C 3 443 ? 46.889 -57.288 -16.551 1.00 58.17 ? 465 PRO C CB 1 ? ? +12691 ATOM C CG . PRO C 3 443 ? 46.722 -58.627 -17.134 1.00 58.41 ? 465 PRO C CG 1 ? ? +12692 ATOM C CD . PRO C 3 443 ? 45.613 -59.279 -16.366 1.00 58.48 ? 465 PRO C CD 1 ? ? +12693 ATOM C C . PRO C 3 443 ? 46.034 -56.172 -14.437 1.00 58.15 ? 465 PRO C C 1 ? ? +12694 ATOM O O . PRO C 3 443 ? 46.719 -55.532 -13.641 1.00 58.47 ? 465 PRO C O 1 ? ? +12695 ATOM N N A VAL C 3 444 ? 44.793 -55.814 -14.782 0.40 57.47 ? 466 VAL C N 1 ? ? +12696 ATOM N N B VAL C 3 444 ? 44.794 -55.810 -14.785 0.60 57.44 ? 466 VAL C N 1 ? ? +12697 ATOM C CA A VAL C 3 444 ? 44.212 -54.549 -14.362 0.40 56.98 ? 466 VAL C CA 1 ? ? +12698 ATOM C CA B VAL C 3 444 ? 44.218 -54.542 -14.364 0.60 56.93 ? 466 VAL C CA 1 ? ? +12699 ATOM C C A VAL C 3 444 ? 44.061 -54.416 -12.849 0.40 57.37 ? 466 VAL C C 1 ? ? +12700 ATOM C C B VAL C 3 444 ? 44.061 -54.414 -12.850 0.60 57.30 ? 466 VAL C C 1 ? ? +12701 ATOM O O A VAL C 3 444 ? 44.100 -53.310 -12.320 0.40 57.12 ? 466 VAL C O 1 ? ? +12702 ATOM O O B VAL C 3 444 ? 44.100 -53.307 -12.323 0.60 57.02 ? 466 VAL C O 1 ? ? +12703 ATOM C CB A VAL C 3 444 ? 42.858 -54.345 -15.067 0.40 56.22 ? 466 VAL C CB 1 ? ? +12704 ATOM C CB B VAL C 3 444 ? 42.874 -54.320 -15.098 0.60 56.19 ? 466 VAL C CB 1 ? ? +12705 ATOM C CG1 A VAL C 3 444 ? 41.936 -53.435 -14.259 0.40 55.75 ? 466 VAL C CG1 1 ? ? +12706 ATOM C CG1 B VAL C 3 444 ? 41.984 -53.290 -14.394 0.60 55.65 ? 466 VAL C CG1 1 ? ? +12707 ATOM C CG2 A VAL C 3 444 ? 43.069 -53.819 -16.484 0.40 55.80 ? 466 VAL C CG2 1 ? ? +12708 ATOM C CG2 B VAL C 3 444 ? 43.134 -53.934 -16.553 0.60 55.83 ? 466 VAL C CG2 1 ? ? +12709 ATOM N N A LEU C 3 445 ? 43.900 -55.549 -12.158 0.40 58.04 ? 467 LEU C N 1 ? ? +12710 ATOM N N B LEU C 3 445 ? 43.896 -55.545 -12.157 0.60 57.96 ? 467 LEU C N 1 ? ? +12711 ATOM C CA A LEU C 3 445 ? 43.767 -55.554 -10.709 0.40 58.56 ? 467 LEU C CA 1 ? ? +12712 ATOM C CA B LEU C 3 445 ? 43.764 -55.548 -10.708 0.60 58.49 ? 467 LEU C CA 1 ? ? +12713 ATOM C C A LEU C 3 445 ? 45.067 -55.204 -9.989 0.40 59.45 ? 467 LEU C C 1 ? ? +12714 ATOM C C B LEU C 3 445 ? 45.066 -55.203 -9.990 0.60 59.41 ? 467 LEU C C 1 ? ? +12715 ATOM O O A LEU C 3 445 ? 45.041 -54.865 -8.809 0.40 59.73 ? 467 LEU C O 1 ? ? +12716 ATOM O O B LEU C 3 445 ? 45.040 -54.862 -8.811 0.60 59.70 ? 467 LEU C O 1 ? ? +12717 ATOM C CB A LEU C 3 445 ? 43.291 -56.926 -10.231 0.40 58.95 ? 467 LEU C CB 1 ? ? +12718 ATOM C CB B LEU C 3 445 ? 43.277 -56.920 -10.228 0.60 58.86 ? 467 LEU C CB 1 ? ? +12719 ATOM C CG A LEU C 3 445 ? 41.886 -57.305 -10.665 0.40 58.40 ? 467 LEU C CG 1 ? ? +12720 ATOM C CG B LEU C 3 445 ? 41.876 -57.323 -10.692 0.60 58.32 ? 467 LEU C CG 1 ? ? +12721 ATOM C CD1 A LEU C 3 445 ? 41.406 -58.538 -9.935 0.40 58.90 ? 467 LEU C CD1 1 ? ? +12722 ATOM C CD1 B LEU C 3 445 ? 41.432 -58.600 -10.022 0.60 58.83 ? 467 LEU C CD1 1 ? ? +12723 ATOM C CD2 A LEU C 3 445 ? 40.926 -56.155 -10.447 0.40 57.69 ? 467 LEU C CD2 1 ? ? +12724 ATOM C CD2 B LEU C 3 445 ? 40.856 -56.224 -10.423 0.60 57.62 ? 467 LEU C CD2 1 ? ? +12725 ATOM N N . SER C 3 446 ? 46.198 -55.316 -10.699 1.00 60.00 ? 468 SER C N 1 ? ? +12726 ATOM C CA . SER C 3 446 ? 47.498 -54.913 -10.175 1.00 60.97 ? 468 SER C CA 1 ? ? +12727 ATOM C CB . SER C 3 446 ? 48.596 -55.785 -10.756 1.00 61.69 ? 468 SER C CB 1 ? ? +12728 ATOM O OG . SER C 3 446 ? 48.351 -57.137 -10.410 1.00 62.39 ? 468 SER C OG 1 ? ? +12729 ATOM C C . SER C 3 446 ? 47.860 -53.460 -10.478 1.00 61.00 ? 468 SER C C 1 ? ? +12730 ATOM O O . SER C 3 446 ? 48.864 -52.962 -9.976 1.00 61.72 ? 468 SER C O 1 ? ? +12731 ATOM N N . MET C 3 447 ? 47.064 -52.801 -11.328 1.00 60.40 ? 469 MET C N 1 ? ? +12732 ATOM C CA . MET C 3 447 ? 47.374 -51.466 -11.807 1.00 60.33 ? 469 MET C CA 1 ? ? +12733 ATOM C CB . MET C 3 447 ? 46.842 -51.296 -13.222 1.00 59.42 ? 469 MET C CB 1 ? ? +12734 ATOM C CG . MET C 3 447 ? 47.515 -52.155 -14.197 1.00 59.61 ? 469 MET C CG 1 ? ? +12735 ATOM S SD . MET C 3 447 ? 46.880 -51.916 -15.840 1.00 58.93 ? 469 MET C SD 1 ? ? +12736 ATOM C CE . MET C 3 447 ? 47.690 -53.290 -16.650 1.00 59.43 ? 469 MET C CE 1 ? ? +12737 ATOM C C . MET C 3 447 ? 46.731 -50.413 -10.917 1.00 60.67 ? 469 MET C C 1 ? ? +12738 ATOM O O . MET C 3 447 ? 45.638 -50.625 -10.401 1.00 60.81 ? 469 MET C O 1 ? ? +12739 ATOM N N . PRO C 3 448 ? 47.342 -49.222 -10.743 1.00 61.21 ? 470 PRO C N 1 ? ? +12740 ATOM C CA . PRO C 3 448 ? 46.707 -48.165 -9.953 1.00 61.07 ? 470 PRO C CA 1 ? ? +12741 ATOM C CB . PRO C 3 448 ? 47.774 -47.057 -9.955 1.00 61.16 ? 470 PRO C CB 1 ? ? +12742 ATOM C CG . PRO C 3 448 ? 48.576 -47.311 -11.209 1.00 61.15 ? 470 PRO C CG 1 ? ? +12743 ATOM C CD . PRO C 3 448 ? 48.629 -48.807 -11.319 1.00 61.54 ? 470 PRO C CD 1 ? ? +12744 ATOM C C . PRO C 3 448 ? 45.382 -47.752 -10.589 1.00 60.29 ? 470 PRO C C 1 ? ? +12745 ATOM O O . PRO C 3 448 ? 45.191 -47.918 -11.788 1.00 59.95 ? 470 PRO C O 1 ? ? +12746 ATOM N N . SER C 3 449 ? 44.449 -47.230 -9.795 1.00 60.45 ? 471 SER C N 1 ? ? +12747 ATOM C CA . SER C 3 449 ? 43.181 -46.813 -10.372 1.00 60.09 ? 471 SER C CA 1 ? ? +12748 ATOM C CB . SER C 3 449 ? 42.075 -46.716 -9.326 1.00 59.85 ? 471 SER C CB 1 ? ? +12749 ATOM O OG . SER C 3 449 ? 42.198 -45.502 -8.614 1.00 60.01 ? 471 SER C OG 1 ? ? +12750 ATOM C C . SER C 3 449 ? 43.429 -45.482 -11.074 1.00 60.05 ? 471 SER C C 1 ? ? +12751 ATOM O O . SER C 3 449 ? 44.321 -44.742 -10.688 1.00 60.85 ? 471 SER C O 1 ? ? +12752 ATOM N N . LEU C 3 450 ? 42.639 -45.189 -12.107 1.00 59.67 ? 472 LEU C N 1 ? ? +12753 ATOM C CA . LEU C 3 450 ? 42.827 -43.995 -12.913 1.00 59.69 ? 472 LEU C CA 1 ? ? +12754 ATOM C CB . LEU C 3 450 ? 42.032 -44.120 -14.218 1.00 58.85 ? 472 LEU C CB 1 ? ? +12755 ATOM C CG . LEU C 3 450 ? 42.449 -45.226 -15.141 1.00 58.81 ? 472 LEU C CG 1 ? ? +12756 ATOM C CD1 . LEU C 3 450 ? 41.493 -45.331 -16.302 1.00 58.11 ? 472 LEU C CD1 1 ? ? +12757 ATOM C CD2 . LEU C 3 450 ? 43.843 -45.020 -15.627 1.00 59.29 ? 472 LEU C CD2 1 ? ? +12758 ATOM C C . LEU C 3 450 ? 42.385 -42.716 -12.205 1.00 60.36 ? 472 LEU C C 1 ? ? +12759 ATOM O O . LEU C 3 450 ? 42.658 -41.615 -12.673 1.00 60.98 ? 472 LEU C O 1 ? ? +12760 ATOM N N . ASP C 3 451 ? 41.688 -42.854 -11.079 1.00 61.00 ? 473 ASP C N 1 ? ? +12761 ATOM C CA . ASP C 3 451 ? 41.190 -41.697 -10.361 1.00 61.39 ? 473 ASP C CA 1 ? ? +12762 ATOM C CB . ASP C 3 451 ? 40.142 -40.953 -11.195 1.00 60.14 ? 473 ASP C CB 1 ? ? +12763 ATOM C CG . ASP C 3 451 ? 38.957 -41.759 -11.748 1.00 59.10 ? 473 ASP C CG 1 ? ? +12764 ATOM O OD1 . ASP C 3 451 ? 38.902 -43.006 -11.516 1.00 58.66 ? 473 ASP C OD1 1 ? ? +12765 ATOM O OD2 . ASP C 3 451 ? 38.102 -41.150 -12.424 1.00 57.93 ? 473 ASP C OD2 1 ? ? +12766 ATOM C C . ASP C 3 451 ? 40.606 -42.140 -9.047 1.00 63.50 ? 473 ASP C C 1 ? ? +12767 ATOM O O . ASP C 3 451 ? 39.927 -41.377 -8.362 1.00 65.34 ? 473 ASP C O 1 ? ? +12768 ATOM O OXT . ASP C 3 451 ? 40.799 -43.285 -8.666 1.00 65.51 ? 473 ASP C OXT 1 ? ? +12769 ATOM N N . GLU D 4 1 ? -12.962 -74.883 -6.930 1.00 117.06 ? 11 GLU D N 1 ? ? +12770 ATOM C CA . GLU D 4 1 ? -13.663 -74.784 -8.209 1.00 116.49 ? 11 GLU D CA 1 ? ? +12771 ATOM C CB . GLU D 4 1 ? -14.229 -73.358 -8.399 1.00 115.01 ? 11 GLU D CB 1 ? ? +12772 ATOM C CG . GLU D 4 1 ? -15.446 -73.045 -7.537 1.00 113.69 ? 11 GLU D CG 1 ? ? +12773 ATOM C CD . GLU D 4 1 ? -15.981 -71.642 -7.727 1.00 111.81 ? 11 GLU D CD 1 ? ? +12774 ATOM O OE1 . GLU D 4 1 ? -15.225 -70.775 -8.227 1.00 110.53 ? 11 GLU D OE1 1 ? ? +12775 ATOM O OE2 . GLU D 4 1 ? -17.165 -71.414 -7.396 1.00 109.09 ? 11 GLU D OE2 1 ? ? +12776 ATOM C C . GLU D 4 1 ? -12.729 -75.151 -9.363 1.00 114.34 ? 11 GLU D C 1 ? ? +12777 ATOM O O . GLU D 4 1 ? -11.790 -74.415 -9.653 1.00 114.67 ? 11 GLU D O 1 ? ? +12778 ATOM N N . ARG D 4 2 ? -12.987 -76.305 -9.999 1.00 112.45 ? 12 ARG D N 1 ? ? +12779 ATOM C CA . ARG D 4 2 ? -12.243 -76.753 -11.168 1.00 108.17 ? 12 ARG D CA 1 ? ? +12780 ATOM C CB . ARG D 4 2 ? -11.380 -77.993 -10.850 1.00 111.39 ? 12 ARG D CB 1 ? ? +12781 ATOM C CG . ARG D 4 2 ? -10.314 -77.743 -9.781 1.00 113.09 ? 12 ARG D CG 1 ? ? +12782 ATOM C CD . ARG D 4 2 ? -9.235 -76.768 -10.226 1.00 114.38 ? 12 ARG D CD 1 ? ? +12783 ATOM N NE . ARG D 4 2 ? -8.665 -77.128 -11.519 1.00 118.23 ? 12 ARG D NE 1 ? ? +12784 ATOM C CZ . ARG D 4 2 ? -8.045 -78.272 -11.786 1.00 120.55 ? 12 ARG D CZ 1 ? ? +12785 ATOM N NH1 . ARG D 4 2 ? -7.847 -79.190 -10.853 1.00 122.82 ? 12 ARG D NH1 1 ? ? +12786 ATOM N NH2 . ARG D 4 2 ? -7.610 -78.498 -13.023 1.00 118.18 ? 12 ARG D NH2 1 ? ? +12787 ATOM C C . ARG D 4 2 ? -13.244 -77.033 -12.288 1.00 100.84 ? 12 ARG D C 1 ? ? +12788 ATOM O O . ARG D 4 2 ? -13.503 -78.182 -12.647 1.00 99.41 ? 12 ARG D O 1 ? ? +12789 ATOM N N . GLY D 4 3 ? -13.829 -75.949 -12.799 1.00 93.96 ? 13 GLY D N 1 ? ? +12790 ATOM C CA . GLY D 4 3 ? -14.748 -76.022 -13.917 1.00 90.24 ? 13 GLY D CA 1 ? ? +12791 ATOM C C . GLY D 4 3 ? -14.016 -75.985 -15.255 1.00 86.09 ? 13 GLY D C 1 ? ? +12792 ATOM O O . GLY D 4 3 ? -12.785 -75.967 -15.317 1.00 85.24 ? 13 GLY D O 1 ? ? +12793 ATOM N N . TRP D 4 4 ? -14.811 -75.964 -16.329 1.00 82.58 ? 14 TRP D N 1 ? ? +12794 ATOM C CA . TRP D 4 4 ? -14.297 -76.059 -17.682 1.00 79.81 ? 14 TRP D CA 1 ? ? +12795 ATOM C CB . TRP D 4 4 ? -15.460 -75.972 -18.686 1.00 79.79 ? 14 TRP D CB 1 ? ? +12796 ATOM C CG . TRP D 4 4 ? -16.145 -74.641 -18.723 1.00 79.47 ? 14 TRP D CG 1 ? ? +12797 ATOM C CD1 . TRP D 4 4 ? -17.287 -74.288 -18.069 1.00 80.23 ? 14 TRP D CD1 1 ? ? +12798 ATOM N NE1 . TRP D 4 4 ? -17.610 -72.982 -18.358 1.00 79.89 ? 14 TRP D NE1 1 ? ? +12799 ATOM C CE2 . TRP D 4 4 ? -16.680 -72.473 -19.229 1.00 78.61 ? 14 TRP D CE2 1 ? ? +12800 ATOM C CZ2 . TRP D 4 4 ? -16.583 -71.209 -19.815 1.00 77.92 ? 14 TRP D CZ2 1 ? ? +12801 ATOM C CH2 . TRP D 4 4 ? -15.526 -70.984 -20.667 1.00 76.84 ? 14 TRP D CH2 1 ? ? +12802 ATOM C CZ3 . TRP D 4 4 ? -14.590 -71.981 -20.948 1.00 76.69 ? 14 TRP D CZ3 1 ? ? +12803 ATOM C CE3 . TRP D 4 4 ? -14.687 -73.233 -20.369 1.00 77.44 ? 14 TRP D CE3 1 ? ? +12804 ATOM C CD2 . TRP D 4 4 ? -15.751 -73.497 -19.494 1.00 78.35 ? 14 TRP D CD2 1 ? ? +12805 ATOM C C . TRP D 4 4 ? -13.244 -74.993 -17.973 1.00 76.78 ? 14 TRP D C 1 ? ? +12806 ATOM O O . TRP D 4 4 ? -12.326 -75.244 -18.749 1.00 75.76 ? 14 TRP D O 1 ? ? +12807 ATOM N N . PHE D 4 5 ? -13.399 -73.814 -17.354 1.00 74.55 ? 15 PHE D N 1 ? ? +12808 ATOM C CA . PHE D 4 5 ? -12.493 -72.698 -17.560 1.00 72.43 ? 15 PHE D CA 1 ? ? +12809 ATOM C CB . PHE D 4 5 ? -12.977 -71.417 -16.852 1.00 71.59 ? 15 PHE D CB 1 ? ? +12810 ATOM C CG . PHE D 4 5 ? -12.050 -70.241 -17.060 1.00 70.22 ? 15 PHE D CG 1 ? ? +12811 ATOM C CD1 . PHE D 4 5 ? -10.944 -70.053 -16.245 1.00 69.60 ? 15 PHE D CD1 1 ? ? +12812 ATOM C CD2 . PHE D 4 5 ? -12.254 -69.355 -18.101 1.00 69.42 ? 15 PHE D CD2 1 ? ? +12813 ATOM C CE1 . PHE D 4 5 ? -10.075 -68.986 -16.453 1.00 68.40 ? 15 PHE D CE1 1 ? ? +12814 ATOM C CE2 . PHE D 4 5 ? -11.382 -68.289 -18.307 1.00 68.37 ? 15 PHE D CE2 1 ? ? +12815 ATOM C CZ . PHE D 4 5 ? -10.298 -68.111 -17.480 1.00 67.79 ? 15 PHE D CZ 1 ? ? +12816 ATOM C C . PHE D 4 5 ? -11.090 -73.047 -17.079 1.00 71.94 ? 15 PHE D C 1 ? ? +12817 ATOM O O . PHE D 4 5 ? -10.109 -72.787 -17.774 1.00 71.01 ? 15 PHE D O 1 ? ? +12818 ATOM N N . ASP D 4 6 ? -11.010 -73.625 -15.875 1.00 72.21 ? 16 ASP D N 1 ? ? +12819 ATOM C CA . ASP D 4 6 ? -9.731 -73.979 -15.283 1.00 71.69 ? 16 ASP D CA 1 ? ? +12820 ATOM C CB . ASP D 4 6 ? -9.912 -74.280 -13.798 1.00 72.43 ? 16 ASP D CB 1 ? ? +12821 ATOM C CG . ASP D 4 6 ? -10.430 -73.086 -13.032 1.00 72.23 ? 16 ASP D CG 1 ? ? +12822 ATOM O OD1 . ASP D 4 6 ? -9.766 -72.045 -13.047 1.00 71.40 ? 16 ASP D OD1 1 ? ? +12823 ATOM O OD2 . ASP D 4 6 ? -11.509 -73.190 -12.440 1.00 73.41 ? 16 ASP D OD2 1 ? ? +12824 ATOM C C . ASP D 4 6 ? -9.073 -75.151 -16.009 1.00 71.55 ? 16 ASP D C 1 ? ? +12825 ATOM O O . ASP D 4 6 ? -7.860 -75.154 -16.206 1.00 70.95 ? 16 ASP D O 1 ? ? +12826 ATOM N N . ILE D 4 7 ? -9.888 -76.132 -16.414 1.00 71.90 ? 17 ILE D N 1 ? ? +12827 ATOM C CA . ILE D 4 7 ? -9.414 -77.245 -17.219 1.00 71.89 ? 17 ILE D CA 1 ? ? +12828 ATOM C CB . ILE D 4 7 ? -10.545 -78.278 -17.491 1.00 73.19 ? 17 ILE D CB 1 ? ? +12829 ATOM C CG1 . ILE D 4 7 ? -11.170 -78.832 -16.192 1.00 74.39 ? 17 ILE D CG1 1 ? ? +12830 ATOM C CG2 . ILE D 4 7 ? -10.068 -79.425 -18.385 1.00 73.50 ? 17 ILE D CG2 1 ? ? +12831 ATOM C CD1 . ILE D 4 7 ? -10.205 -79.192 -15.081 1.00 74.59 ? 17 ILE D CD1 1 ? ? +12832 ATOM C C . ILE D 4 7 ? -8.829 -76.736 -18.534 1.00 70.40 ? 17 ILE D C 1 ? ? +12833 ATOM O O . ILE D 4 7 ? -7.799 -77.230 -18.992 1.00 69.84 ? 17 ILE D O 1 ? ? +12834 ATOM N N . LEU D 4 8 ? -9.514 -75.764 -19.147 1.00 69.55 ? 18 LEU D N 1 ? ? +12835 ATOM C CA . LEU D 4 8 ? -9.076 -75.216 -20.418 1.00 68.55 ? 18 LEU D CA 1 ? ? +12836 ATOM C CB . LEU D 4 8 ? -10.161 -74.315 -21.026 1.00 68.16 ? 18 LEU D CB 1 ? ? +12837 ATOM C CG . LEU D 4 8 ? -9.790 -73.583 -22.304 1.00 67.54 ? 18 LEU D CG 1 ? ? +12838 ATOM C CD1 . LEU D 4 8 ? -9.312 -74.509 -23.359 1.00 67.76 ? 18 LEU D CD1 1 ? ? +12839 ATOM C CD2 . LEU D 4 8 ? -10.957 -72.808 -22.855 1.00 67.75 ? 18 LEU D CD2 1 ? ? +12840 ATOM C C . LEU D 4 8 ? -7.760 -74.465 -20.221 1.00 67.66 ? 18 LEU D C 1 ? ? +12841 ATOM O O . LEU D 4 8 ? -6.853 -74.579 -21.045 1.00 67.03 ? 18 LEU D O 1 ? ? +12842 ATOM N N . ASP D 4 9 ? -7.670 -73.715 -19.112 1.00 67.45 ? 19 ASP D N 1 ? ? +12843 ATOM C CA . ASP D 4 9 ? -6.467 -72.975 -18.770 1.00 66.71 ? 19 ASP D CA 1 ? ? +12844 ATOM C CB . ASP D 4 9 ? -6.665 -72.184 -17.468 1.00 66.62 ? 19 ASP D CB 1 ? ? +12845 ATOM C CG . ASP D 4 9 ? -5.543 -71.218 -17.141 1.00 65.80 ? 19 ASP D CG 1 ? ? +12846 ATOM O OD1 . ASP D 4 9 ? -5.490 -70.145 -17.758 1.00 64.72 ? 19 ASP D OD1 1 ? ? +12847 ATOM O OD2 . ASP D 4 9 ? -4.709 -71.547 -16.277 1.00 66.21 ? 19 ASP D OD2 1 ? ? +12848 ATOM C C . ASP D 4 9 ? -5.282 -73.925 -18.636 1.00 67.00 ? 19 ASP D C 1 ? ? +12849 ATOM O O . ASP D 4 9 ? -4.187 -73.624 -19.107 1.00 66.23 ? 19 ASP D O 1 ? ? +12850 ATOM N N . ASP D 4 10 ? -5.521 -75.073 -17.989 1.00 67.99 ? 20 ASP D N 1 ? ? +12851 ATOM C CA . ASP D 4 10 ? -4.507 -76.107 -17.851 1.00 68.40 ? 20 ASP D CA 1 ? ? +12852 ATOM C CB . ASP D 4 10 ? -5.043 -77.348 -17.130 1.00 69.94 ? 20 ASP D CB 1 ? ? +12853 ATOM C CG . ASP D 4 10 ? -5.161 -77.246 -15.631 1.00 70.79 ? 20 ASP D CG 1 ? ? +12854 ATOM O OD1 . ASP D 4 10 ? -4.724 -76.212 -15.066 1.00 70.51 ? 20 ASP D OD1 1 ? ? +12855 ATOM O OD2 . ASP D 4 10 ? -5.711 -78.196 -15.016 1.00 72.31 ? 20 ASP D OD2 1 ? ? +12856 ATOM C C . ASP D 4 10 ? -3.969 -76.533 -19.211 1.00 67.62 ? 20 ASP D C 1 ? ? +12857 ATOM O O . ASP D 4 10 ? -2.762 -76.509 -19.425 1.00 67.21 ? 20 ASP D O 1 ? ? +12858 ATOM N N . TRP D 4 11 ? -4.870 -76.912 -20.121 1.00 67.29 ? 21 TRP D N 1 ? ? +12859 ATOM C CA . TRP D 4 11 ? -4.457 -77.371 -21.435 1.00 66.79 ? 21 TRP D CA 1 ? ? +12860 ATOM C CB . TRP D 4 11 ? -5.657 -77.814 -22.293 1.00 66.97 ? 21 TRP D CB 1 ? ? +12861 ATOM C CG . TRP D 4 11 ? -5.213 -78.536 -23.532 1.00 66.69 ? 21 TRP D CG 1 ? ? +12862 ATOM C CD1 . TRP D 4 11 ? -4.870 -79.850 -23.638 1.00 67.24 ? 21 TRP D CD1 1 ? ? +12863 ATOM N NE1 . TRP D 4 11 ? -4.463 -80.130 -24.922 1.00 67.00 ? 21 TRP D NE1 1 ? ? +12864 ATOM C CE2 . TRP D 4 11 ? -4.520 -78.982 -25.668 1.00 66.10 ? 21 TRP D CE2 1 ? ? +12865 ATOM C CZ2 . TRP D 4 11 ? -4.207 -78.757 -27.013 1.00 65.55 ? 21 TRP D CZ2 1 ? ? +12866 ATOM C CH2 . TRP D 4 11 ? -4.364 -77.483 -27.495 1.00 64.71 ? 21 TRP D CH2 1 ? ? +12867 ATOM C CZ3 . TRP D 4 11 ? -4.808 -76.446 -26.676 1.00 64.41 ? 21 TRP D CZ3 1 ? ? +12868 ATOM C CE3 . TRP D 4 11 ? -5.115 -76.665 -25.343 1.00 64.97 ? 21 TRP D CE3 1 ? ? +12869 ATOM C CD2 . TRP D 4 11 ? -4.976 -77.955 -24.819 1.00 65.84 ? 21 TRP D CD2 1 ? ? +12870 ATOM C C . TRP D 4 11 ? -3.652 -76.299 -22.173 1.00 65.91 ? 21 TRP D C 1 ? ? +12871 ATOM O O . TRP D 4 11 ? -2.594 -76.587 -22.729 1.00 65.61 ? 21 TRP D O 1 ? ? +12872 ATOM N N . LEU D 4 12 ? -4.159 -75.060 -22.164 1.00 65.53 ? 22 LEU D N 1 ? ? +12873 ATOM C CA . LEU D 4 12 ? -3.578 -73.970 -22.932 1.00 64.74 ? 22 LEU D CA 1 ? ? +12874 ATOM C CB . LEU D 4 12 ? -4.483 -72.729 -22.801 1.00 64.29 ? 22 LEU D CB 1 ? ? +12875 ATOM C CG . LEU D 4 12 ? -5.831 -72.740 -23.544 1.00 64.44 ? 22 LEU D CG 1 ? ? +12876 ATOM C CD1 . LEU D 4 12 ? -6.622 -71.499 -23.235 1.00 64.10 ? 22 LEU D CD1 1 ? ? +12877 ATOM C CD2 . LEU D 4 12 ? -5.653 -72.809 -25.029 1.00 64.13 ? 22 LEU D CD2 1 ? ? +12878 ATOM C C . LEU D 4 12 ? -2.158 -73.609 -22.489 1.00 64.64 ? 22 LEU D C 1 ? ? +12879 ATOM O O . LEU D 4 12 ? -1.365 -73.112 -23.286 1.00 63.84 ? 22 LEU D O 1 ? ? +12880 ATOM N N . LYS D 4 13 ? -1.850 -73.856 -21.209 1.00 65.54 ? 23 LYS D N 1 ? ? +12881 ATOM C CA . LYS D 4 13 ? -0.565 -73.506 -20.624 1.00 65.72 ? 23 LYS D CA 1 ? ? +12882 ATOM C CB . LYS D 4 13 ? -0.798 -72.793 -19.289 1.00 65.96 ? 23 LYS D CB 1 ? ? +12883 ATOM C CG . LYS D 4 13 ? -1.423 -71.442 -19.448 1.00 65.70 ? 23 LYS D CG 1 ? ? +12884 ATOM C CD . LYS D 4 13 ? -1.810 -70.847 -18.139 1.00 66.22 ? 23 LYS D CD 1 ? ? +12885 ATOM C CE . LYS D 4 13 ? -2.407 -69.483 -18.308 1.00 65.87 ? 23 LYS D CE 1 ? ? +12886 ATOM N NZ . LYS D 4 13 ? -2.879 -68.963 -17.011 1.00 66.38 ? 23 LYS D NZ 1 ? ? +12887 ATOM C C . LYS D 4 13 ? 0.361 -74.699 -20.391 1.00 66.37 ? 23 LYS D C 1 ? ? +12888 ATOM O O . LYS D 4 13 ? 1.355 -74.571 -19.683 1.00 66.14 ? 23 LYS D O 1 ? ? +12889 ATOM N N . ARG D 4 14 ? 0.039 -75.849 -20.992 1.00 67.23 ? 24 ARG D N 1 ? ? +12890 ATOM C CA . ARG D 4 14 ? 0.941 -76.985 -20.969 1.00 68.23 ? 24 ARG D CA 1 ? ? +12891 ATOM C CB . ARG D 4 14 ? 0.369 -78.167 -21.739 1.00 70.05 ? 24 ARG D CB 1 ? ? +12892 ATOM C CG . ARG D 4 14 ? -0.753 -78.871 -21.049 1.00 72.41 ? 24 ARG D CG 1 ? ? +12893 ATOM C CD . ARG D 4 14 ? -0.276 -80.079 -20.277 1.00 74.50 ? 24 ARG D CD 1 ? ? +12894 ATOM N NE . ARG D 4 14 ? -0.018 -81.216 -21.154 1.00 76.06 ? 24 ARG D NE 1 ? ? +12895 ATOM C CZ . ARG D 4 14 ? -0.954 -82.035 -21.613 1.00 77.72 ? 24 ARG D CZ 1 ? ? +12896 ATOM N NH1 . ARG D 4 14 ? -2.223 -81.899 -21.262 1.00 78.39 ? 24 ARG D NH1 1 ? ? +12897 ATOM N NH2 . ARG D 4 14 ? -0.605 -83.030 -22.425 1.00 78.79 ? 24 ARG D NH2 1 ? ? +12898 ATOM C C . ARG D 4 14 ? 2.289 -76.605 -21.582 1.00 67.10 ? 24 ARG D C 1 ? ? +12899 ATOM O O . ARG D 4 14 ? 2.357 -75.823 -22.533 1.00 66.43 ? 24 ARG D O 1 ? ? +12900 ATOM N N . ASP D 4 15 ? 3.354 -77.172 -21.013 1.00 66.79 ? 25 ASP D N 1 ? ? +12901 ATOM C CA . ASP D 4 15 ? 4.704 -76.955 -21.491 1.00 66.11 ? 25 ASP D CA 1 ? ? +12902 ATOM C CB . ASP D 4 15 ? 5.705 -77.249 -20.363 1.00 66.52 ? 25 ASP D CB 1 ? ? +12903 ATOM C CG . ASP D 4 15 ? 7.089 -76.658 -20.525 1.00 65.98 ? 25 ASP D CG 1 ? ? +12904 ATOM O OD1 . ASP D 4 15 ? 7.213 -75.652 -21.222 1.00 65.16 ? 25 ASP D OD1 1 ? ? +12905 ATOM O OD2 . ASP D 4 15 ? 8.054 -77.245 -19.980 1.00 66.56 ? 25 ASP D OD2 1 ? ? +12906 ATOM C C . ASP D 4 15 ? 4.908 -77.875 -22.690 1.00 65.98 ? 25 ASP D C 1 ? ? +12907 ATOM O O . ASP D 4 15 ? 5.147 -79.065 -22.528 1.00 67.04 ? 25 ASP D O 1 ? ? +12908 ATOM N N . ARG D 4 16 ? 4.753 -77.321 -23.891 1.00 64.95 ? 26 ARG D N 1 ? ? +12909 ATOM C CA . ARG D 4 16 ? 4.886 -78.082 -25.119 1.00 64.79 ? 26 ARG D CA 1 ? ? +12910 ATOM C CB . ARG D 4 16 ? 3.526 -78.226 -25.826 1.00 64.98 ? 26 ARG D CB 1 ? ? +12911 ATOM C CG . ARG D 4 16 ? 2.643 -76.998 -25.780 1.00 64.34 ? 26 ARG D CG 1 ? ? +12912 ATOM C CD . ARG D 4 16 ? 1.384 -77.186 -26.618 1.00 64.52 ? 26 ARG D CD 1 ? ? +12913 ATOM N NE . ARG D 4 16 ? 0.464 -78.169 -26.053 1.00 65.11 ? 26 ARG D NE 1 ? ? +12914 ATOM C CZ . ARG D 4 16 ? -0.639 -77.874 -25.382 1.00 65.23 ? 26 ARG D CZ 1 ? ? +12915 ATOM N NH1 . ARG D 4 16 ? -0.902 -76.644 -24.981 1.00 64.74 ? 26 ARG D NH1 1 ? ? +12916 ATOM N NH2 . ARG D 4 16 ? -1.484 -78.846 -25.070 1.00 66.17 ? 26 ARG D NH2 1 ? ? +12917 ATOM C C . ARG D 4 16 ? 5.920 -77.374 -25.981 1.00 63.97 ? 26 ARG D C 1 ? ? +12918 ATOM O O . ARG D 4 16 ? 6.450 -76.344 -25.580 1.00 63.38 ? 26 ARG D O 1 ? ? +12919 ATOM N N . PHE D 4 17 ? 6.220 -77.943 -27.151 1.00 63.94 ? 27 PHE D N 1 ? ? +12920 ATOM C CA . PHE D 4 17 ? 7.247 -77.402 -28.027 1.00 63.31 ? 27 PHE D CA 1 ? ? +12921 ATOM C CB . PHE D 4 17 ? 7.388 -78.269 -29.289 1.00 64.11 ? 27 PHE D CB 1 ? ? +12922 ATOM C CG . PHE D 4 17 ? 8.563 -77.891 -30.150 1.00 64.22 ? 27 PHE D CG 1 ? ? +12923 ATOM C CD1 . PHE D 4 17 ? 9.835 -78.319 -29.833 1.00 64.80 ? 27 PHE D CD1 1 ? ? +12924 ATOM C CD2 . PHE D 4 17 ? 8.398 -77.085 -31.259 1.00 64.09 ? 27 PHE D CD2 1 ? ? +12925 ATOM C CE1 . PHE D 4 17 ? 10.921 -77.968 -30.628 1.00 64.82 ? 27 PHE D CE1 1 ? ? +12926 ATOM C CE2 . PHE D 4 17 ? 9.487 -76.719 -32.042 1.00 64.04 ? 27 PHE D CE2 1 ? ? +12927 ATOM C CZ . PHE D 4 17 ? 10.742 -77.167 -31.726 1.00 64.37 ? 27 PHE D CZ 1 ? ? +12928 ATOM C C . PHE D 4 17 ? 6.955 -75.961 -28.435 1.00 61.87 ? 27 PHE D C 1 ? ? +12929 ATOM O O . PHE D 4 17 ? 7.859 -75.130 -28.482 1.00 61.67 ? 27 PHE D O 1 ? ? +12930 ATOM N N . VAL D 4 18 ? 5.688 -75.704 -28.775 1.00 61.24 ? 28 VAL D N 1 ? ? +12931 ATOM C CA . VAL D 4 18 ? 5.183 -74.368 -29.027 1.00 59.97 ? 28 VAL D CA 1 ? ? +12932 ATOM C CB . VAL D 4 18 ? 4.579 -74.230 -30.435 1.00 59.94 ? 28 VAL D CB 1 ? ? +12933 ATOM C CG1 . VAL D 4 18 ? 4.278 -72.780 -30.755 1.00 59.27 ? 28 VAL D CG1 1 ? ? +12934 ATOM C CG2 . VAL D 4 18 ? 5.494 -74.829 -31.495 1.00 60.13 ? 28 VAL D CG2 1 ? ? +12935 ATOM C C . VAL D 4 18 ? 4.140 -74.084 -27.953 1.00 59.64 ? 28 VAL D C 1 ? ? +12936 ATOM O O . VAL D 4 18 ? 3.072 -74.693 -27.941 1.00 60.42 ? 28 VAL D O 1 ? ? +12937 ATOM N N . PHE D 4 19 ? 4.473 -73.170 -27.043 1.00 58.68 ? 29 PHE D N 1 ? ? +12938 ATOM C CA . PHE D 4 19 ? 3.541 -72.696 -26.038 1.00 58.31 ? 29 PHE D CA 1 ? ? +12939 ATOM C CB . PHE D 4 19 ? 4.244 -71.756 -25.060 1.00 57.75 ? 29 PHE D CB 1 ? ? +12940 ATOM C CG . PHE D 4 19 ? 3.340 -71.118 -24.046 1.00 57.68 ? 29 PHE D CG 1 ? ? +12941 ATOM C CD1 . PHE D 4 19 ? 2.681 -69.940 -24.329 1.00 57.13 ? 29 PHE D CD1 1 ? ? +12942 ATOM C CD2 . PHE D 4 19 ? 3.116 -71.720 -22.819 1.00 58.28 ? 29 PHE D CD2 1 ? ? +12943 ATOM C CE1 . PHE D 4 19 ? 1.828 -69.365 -23.392 1.00 57.20 ? 29 PHE D CE1 1 ? ? +12944 ATOM C CE2 . PHE D 4 19 ? 2.250 -71.152 -21.891 1.00 58.28 ? 29 PHE D CE2 1 ? ? +12945 ATOM C CZ . PHE D 4 19 ? 1.626 -69.974 -22.175 1.00 57.73 ? 29 PHE D CZ 1 ? ? +12946 ATOM C C . PHE D 4 19 ? 2.381 -71.988 -26.724 1.00 57.85 ? 29 PHE D C 1 ? ? +12947 ATOM O O . PHE D 4 19 ? 2.602 -71.198 -27.633 1.00 57.25 ? 29 PHE D O 1 ? ? +12948 ATOM N N . VAL D 4 20 ? 1.156 -72.281 -26.268 1.00 58.12 ? 30 VAL D N 1 ? ? +12949 ATOM C CA . VAL D 4 20 ? -0.050 -71.681 -26.815 1.00 57.72 ? 30 VAL D CA 1 ? ? +12950 ATOM C CB . VAL D 4 20 ? -1.147 -72.763 -26.986 1.00 58.65 ? 30 VAL D CB 1 ? ? +12951 ATOM C CG1 . VAL D 4 20 ? -2.417 -72.199 -27.620 1.00 58.62 ? 30 VAL D CG1 1 ? ? +12952 ATOM C CG2 . VAL D 4 20 ? -0.629 -73.935 -27.812 1.00 59.08 ? 30 VAL D CG2 1 ? ? +12953 ATOM C C . VAL D 4 20 ? -0.514 -70.513 -25.951 1.00 57.05 ? 30 VAL D C 1 ? ? +12954 ATOM O O . VAL D 4 20 ? -0.441 -69.368 -26.374 1.00 56.41 ? 30 VAL D O 1 ? ? +12955 ATOM N N . GLY D 4 21 ? -0.993 -70.806 -24.742 1.00 57.31 ? 31 GLY D N 1 ? ? +12956 ATOM C CA . GLY D 4 21 ? -1.601 -69.794 -23.891 1.00 56.94 ? 31 GLY D CA 1 ? ? +12957 ATOM C C . GLY D 4 21 ? -2.961 -69.269 -24.361 1.00 56.79 ? 31 GLY D C 1 ? ? +12958 ATOM O O . GLY D 4 21 ? -3.416 -69.569 -25.461 1.00 56.87 ? 31 GLY D O 1 ? ? +12959 ATOM N N . TRP D 4 22 ? -3.610 -68.483 -23.498 1.00 56.51 ? 32 TRP D N 1 ? ? +12960 ATOM C CA . TRP D 4 22 ? -4.784 -67.717 -23.877 1.00 56.22 ? 32 TRP D CA 1 ? ? +12961 ATOM C CB . TRP D 4 22 ? -5.302 -66.937 -22.687 1.00 56.16 ? 32 TRP D CB 1 ? ? +12962 ATOM C CG . TRP D 4 22 ? -5.972 -67.802 -21.687 1.00 56.97 ? 32 TRP D CG 1 ? ? +12963 ATOM C CD1 . TRP D 4 22 ? -5.452 -68.260 -20.522 1.00 57.26 ? 32 TRP D CD1 1 ? ? +12964 ATOM N NE1 . TRP D 4 22 ? -6.381 -69.011 -19.855 1.00 58.06 ? 32 TRP D NE1 1 ? ? +12965 ATOM C CE2 . TRP D 4 22 ? -7.532 -69.053 -20.592 1.00 58.32 ? 32 TRP D CE2 1 ? ? +12966 ATOM C CZ2 . TRP D 4 22 ? -8.736 -69.683 -20.342 1.00 59.11 ? 32 TRP D CZ2 1 ? ? +12967 ATOM C CH2 . TRP D 4 22 ? -9.720 -69.543 -21.276 1.00 59.22 ? 32 TRP D CH2 1 ? ? +12968 ATOM C CZ3 . TRP D 4 22 ? -9.529 -68.801 -22.435 1.00 58.52 ? 32 TRP D CZ3 1 ? ? +12969 ATOM C CE3 . TRP D 4 22 ? -8.342 -68.177 -22.687 1.00 57.74 ? 32 TRP D CE3 1 ? ? +12970 ATOM C CD2 . TRP D 4 22 ? -7.310 -68.297 -21.753 1.00 57.64 ? 32 TRP D CD2 1 ? ? +12971 ATOM C C . TRP D 4 22 ? -4.484 -66.751 -25.015 1.00 55.34 ? 32 TRP D C 1 ? ? +12972 ATOM O O . TRP D 4 22 ? -5.308 -66.584 -25.916 1.00 55.36 ? 32 TRP D O 1 ? ? +12973 ATOM N N . SER D 4 23 ? -3.288 -66.141 -24.963 1.00 54.53 ? 33 SER D N 1 ? ? +12974 ATOM C CA . SER D 4 23 ? -2.843 -65.220 -25.990 1.00 53.68 ? 33 SER D CA 1 ? ? +12975 ATOM C CB . SER D 4 23 ? -1.442 -64.684 -25.657 1.00 53.16 ? 33 SER D CB 1 ? ? +12976 ATOM O OG . SER D 4 23 ? -0.414 -65.663 -25.806 1.00 53.37 ? 33 SER D OG 1 ? ? +12977 ATOM C C . SER D 4 23 ? -2.862 -65.873 -27.373 1.00 53.68 ? 33 SER D C 1 ? ? +12978 ATOM O O . SER D 4 23 ? -3.067 -65.200 -28.382 1.00 53.25 ? 33 SER D O 1 ? ? +12979 ATOM N N . GLY D 4 24 ? -2.631 -67.187 -27.411 1.00 54.19 ? 34 GLY D N 1 ? ? +12980 ATOM C CA . GLY D 4 24 ? -2.485 -67.911 -28.658 1.00 54.36 ? 34 GLY D CA 1 ? ? +12981 ATOM C C . GLY D 4 24 ? -3.742 -67.964 -29.514 1.00 54.74 ? 34 GLY D C 1 ? ? +12982 ATOM O O . GLY D 4 24 ? -3.649 -68.072 -30.739 1.00 54.62 ? 34 GLY D O 1 ? ? +12983 ATOM N N . ILE D 4 25 ? -4.906 -67.914 -28.847 1.00 55.22 ? 35 ILE D N 1 ? ? +12984 ATOM C CA . ILE D 4 25 ? -6.189 -67.884 -29.524 1.00 55.58 ? 35 ILE D CA 1 ? ? +12985 ATOM C CB . ILE D 4 25 ? -7.316 -67.929 -28.475 1.00 56.21 ? 35 ILE D CB 1 ? ? +12986 ATOM C CG1 . ILE D 4 25 ? -7.337 -69.324 -27.793 1.00 57.07 ? 35 ILE D CG1 1 ? ? +12987 ATOM C CG2 . ILE D 4 25 ? -8.698 -67.589 -29.096 1.00 56.44 ? 35 ILE D CG2 1 ? ? +12988 ATOM C CD1 . ILE D 4 25 ? -7.881 -69.317 -26.391 1.00 57.49 ? 35 ILE D CD1 1 ? ? +12989 ATOM C C . ILE D 4 25 ? -6.300 -66.684 -30.459 1.00 54.94 ? 35 ILE D C 1 ? ? +12990 ATOM O O . ILE D 4 25 ? -6.810 -66.806 -31.567 1.00 55.04 ? 35 ILE D O 1 ? ? +12991 ATOM N N . LEU D 4 26 ? -5.804 -65.530 -30.010 1.00 54.34 ? 36 LEU D N 1 ? ? +12992 ATOM C CA . LEU D 4 26 ? -5.693 -64.356 -30.863 1.00 53.74 ? 36 LEU D CA 1 ? ? +12993 ATOM C CB . LEU D 4 26 ? -5.674 -63.101 -29.970 1.00 53.28 ? 36 LEU D CB 1 ? ? +12994 ATOM C CG . LEU D 4 26 ? -5.630 -61.773 -30.710 1.00 52.66 ? 36 LEU D CG 1 ? ? +12995 ATOM C CD1 . LEU D 4 26 ? -6.962 -61.520 -31.439 1.00 53.00 ? 36 LEU D CD1 1 ? ? +12996 ATOM C CD2 . LEU D 4 26 ? -5.346 -60.642 -29.779 1.00 52.16 ? 36 LEU D CD2 1 ? ? +12997 ATOM C C . LEU D 4 26 ? -4.465 -64.353 -31.782 1.00 53.28 ? 36 LEU D C 1 ? ? +12998 ATOM O O . LEU D 4 26 ? -4.586 -64.043 -32.963 1.00 53.03 ? 36 LEU D O 1 ? ? +12999 ATOM N N . LEU D 4 27 ? -3.284 -64.676 -31.239 1.00 53.23 ? 37 LEU D N 1 ? ? +13000 ATOM C CA . LEU D 4 27 ? -2.035 -64.538 -31.977 1.00 52.86 ? 37 LEU D CA 1 ? ? +13001 ATOM C CB . LEU D 4 27 ? -0.842 -64.849 -31.062 1.00 52.76 ? 37 LEU D CB 1 ? ? +13002 ATOM C CG . LEU D 4 27 ? 0.519 -65.102 -31.768 1.00 52.45 ? 37 LEU D CG 1 ? ? +13003 ATOM C CD1 . LEU D 4 27 ? 1.003 -63.879 -32.516 1.00 51.74 ? 37 LEU D CD1 1 ? ? +13004 ATOM C CD2 . LEU D 4 27 ? 1.525 -65.515 -30.803 1.00 52.51 ? 37 LEU D CD2 1 ? ? +13005 ATOM C C . LEU D 4 27 ? -1.937 -65.441 -33.206 1.00 53.36 ? 37 LEU D C 1 ? ? +13006 ATOM O O . LEU D 4 27 ? -1.637 -64.969 -34.301 1.00 52.96 ? 37 LEU D O 1 ? ? +13007 ATOM N N . PHE D 4 28 ? -2.185 -66.743 -33.014 1.00 54.35 ? 38 PHE D N 1 ? ? +13008 ATOM C CA . PHE D 4 28 ? -1.886 -67.740 -34.031 1.00 54.91 ? 38 PHE D CA 1 ? ? +13009 ATOM C CB . PHE D 4 28 ? -1.939 -69.156 -33.429 1.00 55.86 ? 38 PHE D CB 1 ? ? +13010 ATOM C CG . PHE D 4 28 ? -0.740 -69.448 -32.546 1.00 56.06 ? 38 PHE D CG 1 ? ? +13011 ATOM C CD1 . PHE D 4 28 ? 0.544 -69.313 -33.031 1.00 55.93 ? 38 PHE D CD1 1 ? ? +13012 ATOM C CD2 . PHE D 4 28 ? -0.899 -69.863 -31.243 1.00 56.55 ? 38 PHE D CD2 1 ? ? +13013 ATOM C CE1 . PHE D 4 28 ? 1.643 -69.568 -32.218 1.00 55.97 ? 38 PHE D CE1 1 ? ? +13014 ATOM C CE2 . PHE D 4 28 ? 0.191 -70.112 -30.440 1.00 56.59 ? 38 PHE D CE2 1 ? ? +13015 ATOM C CZ . PHE D 4 28 ? 1.456 -69.969 -30.926 1.00 56.27 ? 38 PHE D CZ 1 ? ? +13016 ATOM C C . PHE D 4 28 ? -2.748 -67.644 -35.289 1.00 55.01 ? 38 PHE D C 1 ? ? +13017 ATOM O O . PHE D 4 28 ? -2.201 -67.639 -36.391 1.00 54.88 ? 38 PHE D O 1 ? ? +13018 ATOM N N . PRO D 4 29 ? -4.092 -67.535 -35.200 1.00 55.19 ? 39 PRO D N 1 ? ? +13019 ATOM C CA . PRO D 4 29 ? -4.898 -67.313 -36.395 1.00 55.20 ? 39 PRO D CA 1 ? ? +13020 ATOM C CB . PRO D 4 29 ? -6.335 -67.165 -35.863 1.00 55.78 ? 39 PRO D CB 1 ? ? +13021 ATOM C CG . PRO D 4 29 ? -6.310 -67.676 -34.458 1.00 56.17 ? 39 PRO D CG 1 ? ? +13022 ATOM C CD . PRO D 4 29 ? -4.886 -67.580 -33.970 1.00 55.67 ? 39 PRO D CD 1 ? ? +13023 ATOM C C . PRO D 4 29 ? -4.442 -66.058 -37.130 1.00 54.27 ? 39 PRO D C 1 ? ? +13024 ATOM O O . PRO D 4 29 ? -4.097 -66.116 -38.306 1.00 54.16 ? 39 PRO D O 1 ? ? +13025 ATOM N N . CYS D 4 30 ? -4.409 -64.930 -36.412 1.00 53.62 ? 40 CYS D N 1 ? ? +13026 ATOM C CA . CYS D 4 30 ? -4.133 -63.641 -37.020 1.00 52.84 ? 40 CYS D CA 1 ? ? +13027 ATOM C CB . CYS D 4 30 ? -4.349 -62.526 -36.009 1.00 52.47 ? 40 CYS D CB 1 ? ? +13028 ATOM S SG . CYS D 4 30 ? -6.085 -62.219 -35.618 1.00 52.83 ? 40 CYS D SG 1 ? ? +13029 ATOM C C . CYS D 4 30 ? -2.747 -63.552 -37.653 1.00 52.30 ? 40 CYS D C 1 ? ? +13030 ATOM O O . CYS D 4 30 ? -2.613 -63.015 -38.748 1.00 52.00 ? 40 CYS D O 1 ? ? +13031 ATOM N N . ALA D 4 31 ? -1.726 -64.083 -36.971 1.00 52.20 ? 41 ALA D N 1 ? ? +13032 ATOM C CA . ALA D 4 31 ? -0.377 -64.092 -37.528 1.00 51.84 ? 41 ALA D CA 1 ? ? +13033 ATOM C CB . ALA D 4 31 ? 0.652 -64.529 -36.480 1.00 51.82 ? 41 ALA D CB 1 ? ? +13034 ATOM C C . ALA D 4 31 ? -0.279 -64.994 -38.756 1.00 52.09 ? 41 ALA D C 1 ? ? +13035 ATOM O O . ALA D 4 31 ? 0.392 -64.658 -39.728 1.00 51.78 ? 41 ALA D O 1 ? ? +13036 ATOM N N . TYR D 4 32 ? -0.957 -66.144 -38.703 1.00 52.71 ? 42 TYR D N 1 ? ? +13037 ATOM C CA . TYR D 4 32 ? -0.950 -67.081 -39.811 1.00 53.05 ? 42 TYR D CA 1 ? ? +13038 ATOM C CB . TYR D 4 32 ? -1.622 -68.400 -39.389 1.00 53.85 ? 42 TYR D CB 1 ? ? +13039 ATOM C CG . TYR D 4 32 ? -1.621 -69.473 -40.457 1.00 54.34 ? 42 TYR D CG 1 ? ? +13040 ATOM C CD1 . TYR D 4 32 ? -0.432 -69.956 -40.986 1.00 54.24 ? 42 TYR D CD1 1 ? ? +13041 ATOM C CD2 . TYR D 4 32 ? -2.815 -70.003 -40.941 1.00 54.94 ? 42 TYR D CD2 1 ? ? +13042 ATOM C CE1 . TYR D 4 32 ? -0.427 -70.931 -41.971 1.00 54.72 ? 42 TYR D CE1 1 ? ? +13043 ATOM C CE2 . TYR D 4 32 ? -2.822 -70.975 -41.928 1.00 55.41 ? 42 TYR D CE2 1 ? ? +13044 ATOM C CZ . TYR D 4 32 ? -1.627 -71.435 -42.441 1.00 55.32 ? 42 TYR D CZ 1 ? ? +13045 ATOM O OH . TYR D 4 32 ? -1.642 -72.411 -43.404 1.00 55.90 ? 42 TYR D OH 1 ? ? +13046 ATOM C C . TYR D 4 32 ? -1.614 -66.471 -41.043 1.00 52.89 ? 42 TYR D C 1 ? ? +13047 ATOM O O . TYR D 4 32 ? -1.076 -66.581 -42.139 1.00 52.78 ? 42 TYR D O 1 ? ? +13048 ATOM N N . LEU D 4 33 ? -2.772 -65.821 -40.855 1.00 52.87 ? 43 LEU D N 1 ? ? +13049 ATOM C CA . LEU D 4 33 ? -3.517 -65.249 -41.965 1.00 52.82 ? 43 LEU D CA 1 ? ? +13050 ATOM C CB . LEU D 4 33 ? -4.937 -64.832 -41.511 1.00 53.04 ? 43 LEU D CB 1 ? ? +13051 ATOM C CG . LEU D 4 33 ? -5.867 -65.963 -41.081 1.00 53.82 ? 43 LEU D CG 1 ? ? +13052 ATOM C CD1 . LEU D 4 33 ? -7.226 -65.446 -40.707 1.00 54.06 ? 43 LEU D CD1 1 ? ? +13053 ATOM C CD2 . LEU D 4 33 ? -6.012 -66.961 -42.156 1.00 54.33 ? 43 LEU D CD2 1 ? ? +13054 ATOM C C . LEU D 4 33 ? -2.797 -64.046 -42.568 1.00 52.08 ? 43 LEU D C 1 ? ? +13055 ATOM O O . LEU D 4 33 ? -2.817 -63.841 -43.780 1.00 52.00 ? 43 LEU D O 1 ? ? +13056 ATOM N N . ALA D 4 34 ? -2.175 -63.237 -41.713 1.00 51.59 ? 44 ALA D N 1 ? ? +13057 ATOM C CA . ALA D 4 34 ? -1.416 -62.095 -42.192 1.00 50.97 ? 44 ALA D CA 1 ? ? +13058 ATOM C CB . ALA D 4 34 ? -0.906 -61.275 -41.018 1.00 50.50 ? 44 ALA D CB 1 ? ? +13059 ATOM C C . ALA D 4 34 ? -0.255 -62.542 -43.081 1.00 50.92 ? 44 ALA D C 1 ? ? +13060 ATOM O O . ALA D 4 34 ? 0.007 -61.957 -44.128 1.00 50.62 ? 44 ALA D O 1 ? ? +13061 ATOM N N . LEU D 4 35 ? 0.443 -63.594 -42.657 1.00 51.25 ? 45 LEU D N 1 ? ? +13062 ATOM C CA . LEU D 4 35 ? 1.553 -64.132 -43.424 1.00 51.30 ? 45 LEU D CA 1 ? ? +13063 ATOM C CB . LEU D 4 35 ? 2.349 -65.093 -42.547 1.00 51.61 ? 45 LEU D CB 1 ? ? +13064 ATOM C CG . LEU D 4 35 ? 3.539 -65.732 -43.188 1.00 51.79 ? 45 LEU D CG 1 ? ? +13065 ATOM C CD1 . LEU D 4 35 ? 4.792 -64.893 -42.975 1.00 51.27 ? 45 LEU D CD1 1 ? ? +13066 ATOM C CD2 . LEU D 4 35 ? 3.740 -67.132 -42.671 1.00 52.41 ? 45 LEU D CD2 1 ? ? +13067 ATOM C C . LEU D 4 35 ? 1.025 -64.836 -44.669 1.00 51.67 ? 45 LEU D C 1 ? ? +13068 ATOM O O . LEU D 4 35 ? 1.519 -64.616 -45.768 1.00 51.52 ? 45 LEU D O 1 ? ? +13069 ATOM N N . GLY D 4 36 ? 0.000 -65.676 -44.482 1.00 52.20 ? 46 GLY D N 1 ? ? +13070 ATOM C CA . GLY D 4 36 ? -0.652 -66.364 -45.586 1.00 52.61 ? 46 GLY D CA 1 ? ? +13071 ATOM C C . GLY D 4 36 ? -1.204 -65.436 -46.666 1.00 52.30 ? 46 GLY D C 1 ? ? +13072 ATOM O O . GLY D 4 36 ? -1.078 -65.717 -47.855 1.00 52.46 ? 46 GLY D O 1 ? ? +13073 ATOM N N . GLY D 4 37 ? -1.827 -64.336 -46.236 1.00 51.88 ? 47 GLY D N 1 ? ? +13074 ATOM C CA . GLY D 4 37 ? -2.308 -63.314 -47.151 1.00 51.58 ? 47 GLY D CA 1 ? ? +13075 ATOM C C . GLY D 4 37 ? -1.211 -62.686 -48.007 1.00 51.03 ? 47 GLY D C 1 ? ? +13076 ATOM O O . GLY D 4 37 ? -1.378 -62.519 -49.212 1.00 51.06 ? 47 GLY D O 1 ? ? +13077 ATOM N N . TRP D 4 38 ? -0.091 -62.331 -47.365 1.00 50.51 ? 48 TRP D N 1 ? ? +13078 ATOM C CA . TRP D 4 38 ? 1.037 -61.749 -48.067 1.00 49.99 ? 48 TRP D CA 1 ? ? +13079 ATOM C CB . TRP D 4 38 ? 2.137 -61.337 -47.092 1.00 49.55 ? 48 TRP D CB 1 ? ? +13080 ATOM C CG . TRP D 4 38 ? 3.216 -60.574 -47.776 1.00 49.08 ? 48 TRP D CG 1 ? ? +13081 ATOM C CD1 . TRP D 4 38 ? 3.119 -59.331 -48.311 1.00 48.70 ? 48 TRP D CD1 1 ? ? +13082 ATOM N NE1 . TRP D 4 38 ? 4.310 -58.977 -48.907 1.00 48.41 ? 48 TRP D NE1 1 ? ? +13083 ATOM C CE2 . TRP D 4 38 ? 5.192 -60.014 -48.776 1.00 48.59 ? 48 TRP D CE2 1 ? ? +13084 ATOM C CZ2 . TRP D 4 38 ? 6.507 -60.131 -49.200 1.00 48.45 ? 48 TRP D CZ2 1 ? ? +13085 ATOM C CH2 . TRP D 4 38 ? 7.150 -61.302 -48.928 1.00 48.76 ? 48 TRP D CH2 1 ? ? +13086 ATOM C CZ3 . TRP D 4 38 ? 6.521 -62.337 -48.238 1.00 49.20 ? 48 TRP D CZ3 1 ? ? +13087 ATOM C CE3 . TRP D 4 38 ? 5.218 -62.222 -47.809 1.00 49.32 ? 48 TRP D CE3 1 ? ? +13088 ATOM C CD2 . TRP D 4 38 ? 4.530 -61.041 -48.075 1.00 49.01 ? 48 TRP D CD2 1 ? ? +13089 ATOM C C . TRP D 4 38 ? 1.596 -62.709 -49.111 1.00 50.24 ? 48 TRP D C 1 ? ? +13090 ATOM O O . TRP D 4 38 ? 1.799 -62.329 -50.259 1.00 50.11 ? 48 TRP D O 1 ? ? +13091 ATOM N N . LEU D 4 39 ? 1.814 -63.964 -48.706 1.00 50.64 ? 49 LEU D N 1 ? ? +13092 ATOM C CA . LEU D 4 39 ? 2.331 -64.986 -49.601 1.00 50.99 ? 49 LEU D CA 1 ? ? +13093 ATOM C CB . LEU D 4 39 ? 2.653 -66.241 -48.794 1.00 51.41 ? 49 LEU D CB 1 ? ? +13094 ATOM C CG . LEU D 4 39 ? 3.806 -66.104 -47.812 1.00 51.12 ? 49 LEU D CG 1 ? ? +13095 ATOM C CD1 . LEU D 4 39 ? 3.878 -67.305 -46.891 1.00 51.61 ? 49 LEU D CD1 1 ? ? +13096 ATOM C CD2 . LEU D 4 39 ? 5.183 -65.895 -48.551 1.00 50.81 ? 49 LEU D CD2 1 ? ? +13097 ATOM C C . LEU D 4 39 ? 1.358 -65.318 -50.734 1.00 51.44 ? 49 LEU D C 1 ? ? +13098 ATOM O O . LEU D 4 39 ? 1.772 -65.423 -51.887 1.00 51.51 ? 49 LEU D O 1 ? ? +13099 ATOM N N . THR D 4 40 ? 0.067 -65.473 -50.413 1.00 51.72 ? 50 THR D N 1 ? ? +13100 ATOM C CA . THR D 4 40 ? -0.943 -65.640 -51.443 1.00 52.13 ? 50 THR D CA 1 ? ? +13101 ATOM C CB . THR D 4 40 ? -2.354 -65.782 -50.828 1.00 52.55 ? 50 THR D CB 1 ? ? +13102 ATOM O OG1 . THR D 4 40 ? -2.371 -66.881 -49.911 1.00 52.97 ? 50 THR D OG1 1 ? ? +13103 ATOM C CG2 . THR D 4 40 ? -3.409 -66.012 -51.871 1.00 53.06 ? 50 THR D CG2 1 ? ? +13104 ATOM C C . THR D 4 40 ? -0.922 -64.484 -52.439 1.00 51.69 ? 50 THR D C 1 ? ? +13105 ATOM O O . THR D 4 40 ? -0.900 -64.706 -53.647 1.00 51.91 ? 50 THR D O 1 ? ? +13106 ATOM N N . GLY D 4 41 ? -0.952 -63.250 -51.925 1.00 51.12 ? 51 GLY D N 1 ? ? +13107 ATOM C CA . GLY D 4 41 ? -1.059 -62.071 -52.769 1.00 50.78 ? 51 GLY D CA 1 ? ? +13108 ATOM C C . GLY D 4 41 ? 0.165 -61.823 -53.653 1.00 50.51 ? 51 GLY D C 1 ? ? +13109 ATOM O O . GLY D 4 41 ? 0.032 -61.546 -54.848 1.00 50.57 ? 51 GLY D O 1 ? ? +13110 ATOM N N . THR D 4 42 ? 1.365 -61.922 -53.059 1.00 50.17 ? 52 THR D N 1 ? ? +13111 ATOM C CA . THR D 4 42 ? 2.585 -61.726 -53.819 1.00 49.93 ? 52 THR D CA 1 ? ? +13112 ATOM C CB . THR D 4 42 ? 3.806 -61.596 -52.902 1.00 49.54 ? 52 THR D CB 1 ? ? +13113 ATOM O OG1 . THR D 4 42 ? 3.944 -62.752 -52.078 1.00 49.88 ? 52 THR D OG1 1 ? ? +13114 ATOM C CG2 . THR D 4 42 ? 3.726 -60.386 -52.022 1.00 49.04 ? 52 THR D CG2 1 ? ? +13115 ATOM C C . THR D 4 42 ? 2.798 -62.825 -54.859 1.00 50.46 ? 52 THR D C 1 ? ? +13116 ATOM O O . THR D 4 42 ? 3.492 -62.599 -55.843 1.00 50.42 ? 52 THR D O 1 ? ? +13117 ATOM N N . THR D 4 43 ? 2.199 -64.006 -54.657 1.00 51.02 ? 53 THR D N 1 ? ? +13118 ATOM C CA . THR D 4 43 ? 2.331 -65.098 -55.611 1.00 51.50 ? 53 THR D CA 1 ? ? +13119 ATOM C CB . THR D 4 43 ? 2.202 -66.431 -54.886 1.00 52.01 ? 53 THR D CB 1 ? ? +13120 ATOM O OG1 . THR D 4 43 ? 3.193 -66.492 -53.868 1.00 51.71 ? 53 THR D OG1 1 ? ? +13121 ATOM C CG2 . THR D 4 43 ? 2.364 -67.623 -55.808 1.00 52.58 ? 53 THR D CG2 1 ? ? +13122 ATOM C C . THR D 4 43 ? 1.341 -65.016 -56.769 1.00 51.86 ? 53 THR D C 1 ? ? +13123 ATOM O O . THR D 4 43 ? 1.722 -65.274 -57.905 1.00 52.03 ? 53 THR D O 1 ? ? +13124 ATOM N N . PHE D 4 44 ? 0.086 -64.646 -56.476 1.00 51.98 ? 54 PHE D N 1 ? ? +13125 ATOM C CA . PHE D 4 44 ? -0.998 -64.774 -57.439 1.00 52.43 ? 54 PHE D CA 1 ? ? +13126 ATOM C CB . PHE D 4 44 ? -2.029 -65.779 -56.903 1.00 53.07 ? 54 PHE D CB 1 ? ? +13127 ATOM C CG . PHE D 4 44 ? -1.491 -67.176 -56.702 1.00 53.45 ? 54 PHE D CG 1 ? ? +13128 ATOM C CD1 . PHE D 4 44 ? -1.031 -67.920 -57.775 1.00 53.77 ? 54 PHE D CD1 1 ? ? +13129 ATOM C CD2 . PHE D 4 44 ? -1.438 -67.742 -55.438 1.00 53.49 ? 54 PHE D CD2 1 ? ? +13130 ATOM C CE1 . PHE D 4 44 ? -0.530 -69.201 -57.586 1.00 54.14 ? 54 PHE D CE1 1 ? ? +13131 ATOM C CE2 . PHE D 4 44 ? -0.929 -69.021 -55.255 1.00 53.87 ? 54 PHE D CE2 1 ? ? +13132 ATOM C CZ . PHE D 4 44 ? -0.479 -69.742 -56.328 1.00 54.18 ? 54 PHE D CZ 1 ? ? +13133 ATOM C C . PHE D 4 44 ? -1.751 -63.497 -57.817 1.00 52.20 ? 54 PHE D C 1 ? ? +13134 ATOM O O . PHE D 4 44 ? -2.326 -63.447 -58.898 1.00 52.59 ? 54 PHE D O 1 ? ? +13135 ATOM N N . VAL D 4 45 ? -1.743 -62.474 -56.950 1.00 51.64 ? 55 VAL D N 1 ? ? +13136 ATOM C CA . VAL D 4 45 ? -2.628 -61.328 -57.091 1.00 51.46 ? 55 VAL D CA 1 ? ? +13137 ATOM C CB . VAL D 4 45 ? -3.253 -60.965 -55.709 1.00 51.29 ? 55 VAL D CB 1 ? ? +13138 ATOM C CG1 . VAL D 4 45 ? -4.103 -59.692 -55.780 1.00 51.11 ? 55 VAL D CG1 1 ? ? +13139 ATOM C CG2 . VAL D 4 45 ? -4.090 -62.118 -55.157 1.00 51.92 ? 55 VAL D CG2 1 ? ? +13140 ATOM C C . VAL D 4 45 ? -1.968 -60.110 -57.739 1.00 50.94 ? 55 VAL D C 1 ? ? +13141 ATOM O O . VAL D 4 45 ? -0.849 -59.731 -57.393 1.00 50.53 ? 55 VAL D O 1 ? ? +13142 ATOM N N . THR D 4 46 ? -2.719 -59.484 -58.655 1.00 51.10 ? 56 THR D N 1 ? ? +13143 ATOM C CA . THR D 4 46 ? -2.314 -58.305 -59.403 1.00 50.71 ? 56 THR D CA 1 ? ? +13144 ATOM C CB . THR D 4 46 ? -3.025 -58.261 -60.777 1.00 51.17 ? 56 THR D CB 1 ? ? +13145 ATOM O OG1 . THR D 4 46 ? -2.444 -57.254 -61.593 1.00 50.84 ? 56 THR D OG1 1 ? ? +13146 ATOM C CG2 . THR D 4 46 ? -4.552 -57.972 -60.669 1.00 51.53 ? 56 THR D CG2 1 ? ? +13147 ATOM C C . THR D 4 46 ? -2.637 -57.028 -58.638 1.00 50.24 ? 56 THR D C 1 ? ? +13148 ATOM O O . THR D 4 46 ? -3.368 -57.072 -57.650 1.00 50.37 ? 56 THR D O 1 ? ? +13149 ATOM N N . SER D 4 47 ? -2.102 -55.910 -59.138 1.00 49.78 ? 57 SER D N 1 ? ? +13150 ATOM C CA . SER D 4 47 ? -2.494 -54.571 -58.741 1.00 49.39 ? 57 SER D CA 1 ? ? +13151 ATOM C CB . SER D 4 47 ? -1.361 -53.890 -57.987 1.00 48.79 ? 57 SER D CB 1 ? ? +13152 ATOM O OG . SER D 4 47 ? -0.859 -54.717 -56.952 1.00 48.76 ? 57 SER D OG 1 ? ? +13153 ATOM C C . SER D 4 47 ? -2.883 -53.735 -59.957 1.00 49.47 ? 57 SER D C 1 ? ? +13154 ATOM O O . SER D 4 47 ? -2.900 -52.514 -59.899 1.00 49.10 ? 57 SER D O 1 ? ? +13155 ATOM N N . TRP D 4 48 ? -3.222 -54.400 -61.059 1.00 50.04 ? 58 TRP D N 1 ? ? +13156 ATOM C CA . TRP D 4 48 ? -3.668 -53.727 -62.271 1.00 50.33 ? 58 TRP D CA 1 ? ? +13157 ATOM C CB . TRP D 4 48 ? -4.057 -54.781 -63.308 1.00 51.01 ? 58 TRP D CB 1 ? ? +13158 ATOM C CG . TRP D 4 48 ? -4.120 -54.286 -64.718 1.00 51.25 ? 58 TRP D CG 1 ? ? +13159 ATOM C CD1 . TRP D 4 48 ? -5.152 -54.433 -65.591 1.00 51.86 ? 58 TRP D CD1 1 ? ? +13160 ATOM N NE1 . TRP D 4 48 ? -4.827 -53.879 -66.804 1.00 51.93 ? 58 TRP D NE1 1 ? ? +13161 ATOM C CE2 . TRP D 4 48 ? -3.573 -53.347 -66.729 1.00 51.37 ? 58 TRP D CE2 1 ? ? +13162 ATOM C CZ2 . TRP D 4 48 ? -2.822 -52.685 -67.686 1.00 51.24 ? 58 TRP D CZ2 1 ? ? +13163 ATOM C CH2 . TRP D 4 48 ? -1.557 -52.287 -67.331 1.00 50.71 ? 58 TRP D CH2 1 ? ? +13164 ATOM C CZ3 . TRP D 4 48 ? -1.044 -52.529 -66.057 1.00 50.28 ? 58 TRP D CZ3 1 ? ? +13165 ATOM C CE3 . TRP D 4 48 ? -1.790 -53.182 -65.103 1.00 50.41 ? 58 TRP D CE3 1 ? ? +13166 ATOM C CD2 . TRP D 4 48 ? -3.092 -53.592 -65.428 1.00 50.97 ? 58 TRP D CD2 1 ? ? +13167 ATOM C C . TRP D 4 48 ? -4.829 -52.749 -62.086 1.00 50.43 ? 58 TRP D C 1 ? ? +13168 ATOM O O . TRP D 4 48 ? -4.739 -51.599 -62.514 1.00 50.19 ? 58 TRP D O 1 ? ? +13169 ATOM N N . TYR D 4 49 ? -5.911 -53.196 -61.433 1.00 50.81 ? 59 TYR D N 1 ? ? +13170 ATOM C CA . TYR D 4 49 ? -7.126 -52.390 -61.340 1.00 51.04 ? 59 TYR D CA 1 ? ? +13171 ATOM C CB . TYR D 4 49 ? -8.354 -53.296 -61.114 1.00 51.67 ? 59 TYR D CB 1 ? ? +13172 ATOM C CG . TYR D 4 49 ? -8.434 -54.378 -62.164 1.00 52.23 ? 59 TYR D CG 1 ? ? +13173 ATOM C CD1 . TYR D 4 49 ? -8.834 -54.089 -63.459 1.00 52.64 ? 59 TYR D CD1 1 ? ? +13174 ATOM C CD2 . TYR D 4 49 ? -8.028 -55.672 -61.886 1.00 52.41 ? 59 TYR D CD2 1 ? ? +13175 ATOM C CE1 . TYR D 4 49 ? -8.864 -55.072 -64.442 1.00 53.16 ? 59 TYR D CE1 1 ? ? +13176 ATOM C CE2 . TYR D 4 49 ? -8.043 -56.659 -62.860 1.00 52.96 ? 59 TYR D CE2 1 ? ? +13177 ATOM C CZ . TYR D 4 49 ? -8.466 -56.357 -64.138 1.00 53.35 ? 59 TYR D CZ 1 ? ? +13178 ATOM O OH . TYR D 4 49 ? -8.500 -57.341 -65.102 1.00 53.99 ? 59 TYR D OH 1 ? ? +13179 ATOM C C . TYR D 4 49 ? -7.057 -51.301 -60.270 1.00 50.57 ? 59 TYR D C 1 ? ? +13180 ATOM O O . TYR D 4 49 ? -7.844 -50.360 -60.309 1.00 50.64 ? 59 TYR D O 1 ? ? +13181 ATOM N N . THR D 4 50 ? -6.086 -51.400 -59.345 1.00 50.12 ? 60 THR D N 1 ? ? +13182 ATOM C CA . THR D 4 50 ? -5.916 -50.409 -58.291 1.00 49.60 ? 60 THR D CA 1 ? ? +13183 ATOM C CB . THR D 4 50 ? -5.698 -51.109 -56.958 1.00 49.49 ? 60 THR D CB 1 ? ? +13184 ATOM O OG1 . THR D 4 50 ? -4.542 -51.971 -57.053 1.00 49.43 ? 60 THR D OG1 1 ? ? +13185 ATOM C CG2 . THR D 4 50 ? -6.920 -51.907 -56.520 1.00 50.01 ? 60 THR D CG2 1 ? ? +13186 ATOM C C . THR D 4 50 ? -4.778 -49.415 -58.534 1.00 49.08 ? 60 THR D C 1 ? ? +13187 ATOM O O . THR D 4 50 ? -4.871 -48.257 -58.128 1.00 48.78 ? 60 THR D O 1 ? ? +13188 ATOM N N . HIS D 4 51 ? -3.708 -49.883 -59.185 1.00 48.98 ? 61 HIS D N 1 ? ? +13189 ATOM C CA . HIS D 4 51 ? -2.499 -49.092 -59.389 1.00 48.47 ? 61 HIS D CA 1 ? ? +13190 ATOM C CB . HIS D 4 51 ? -1.358 -49.658 -58.525 1.00 48.04 ? 61 HIS D CB 1 ? ? +13191 ATOM C CG . HIS D 4 51 ? -1.447 -49.326 -57.069 1.00 47.65 ? 61 HIS D CG 1 ? ? +13192 ATOM N ND1 . HIS D 4 51 ? -2.308 -49.989 -56.229 1.00 47.84 ? 61 HIS D ND1 1 ? ? +13193 ATOM C CE1 . HIS D 4 51 ? -2.116 -49.466 -55.027 1.00 47.44 ? 61 HIS D CE1 1 ? ? +13194 ATOM N NE2 . HIS D 4 51 ? -1.183 -48.523 -55.055 1.00 46.97 ? 61 HIS D NE2 1 ? ? +13195 ATOM C CD2 . HIS D 4 51 ? -0.733 -48.436 -56.345 1.00 47.10 ? 61 HIS D CD2 1 ? ? +13196 ATOM C C . HIS D 4 51 ? -1.983 -49.012 -60.826 1.00 48.65 ? 61 HIS D C 1 ? ? +13197 ATOM O O . HIS D 4 51 ? -1.220 -48.112 -61.146 1.00 48.41 ? 61 HIS D O 1 ? ? +13198 ATOM N N . GLY D 4 52 ? -2.375 -49.952 -61.686 1.00 49.22 ? 62 GLY D N 1 ? ? +13199 ATOM C CA . GLY D 4 52 ? -1.795 -50.077 -63.011 1.00 49.43 ? 62 GLY D CA 1 ? ? +13200 ATOM C C . GLY D 4 52 ? -0.446 -50.785 -62.918 1.00 49.32 ? 62 GLY D C 1 ? ? +13201 ATOM O O . GLY D 4 52 ? 0.500 -50.446 -63.634 1.00 49.29 ? 62 GLY D O 1 ? ? +13202 ATOM N N . LEU D 4 53 ? -0.360 -51.753 -61.998 1.00 49.33 ? 63 LEU D N 1 ? ? +13203 ATOM C CA . LEU D 4 53 ? 0.901 -52.416 -61.713 1.00 49.12 ? 63 LEU D CA 1 ? ? +13204 ATOM C CB . LEU D 4 53 ? 1.450 -51.996 -60.354 1.00 48.66 ? 63 LEU D CB 1 ? ? +13205 ATOM C CG . LEU D 4 53 ? 1.894 -50.565 -60.207 1.00 48.19 ? 63 LEU D CG 1 ? ? +13206 ATOM C CD1 . LEU D 4 53 ? 2.362 -50.316 -58.805 1.00 47.75 ? 63 LEU D CD1 1 ? ? +13207 ATOM C CD2 . LEU D 4 53 ? 2.984 -50.240 -61.184 1.00 48.11 ? 63 LEU D CD2 1 ? ? +13208 ATOM C C . LEU D 4 53 ? 0.751 -53.930 -61.680 1.00 49.44 ? 63 LEU D C 1 ? ? +13209 ATOM O O . LEU D 4 53 ? -0.197 -54.438 -61.090 1.00 49.61 ? 63 LEU D O 1 ? ? +13210 ATOM N N . ALA D 4 54 ? 1.718 -54.624 -62.300 1.00 49.43 ? 64 ALA D N 1 ? ? +13211 ATOM C CA . ALA D 4 54 ? 1.899 -56.047 -62.066 1.00 49.64 ? 64 ALA D CA 1 ? ? +13212 ATOM C CB . ALA D 4 54 ? 2.699 -56.708 -63.183 1.00 49.91 ? 64 ALA D CB 1 ? ? +13213 ATOM C C . ALA D 4 54 ? 2.614 -56.147 -60.729 1.00 49.10 ? 64 ALA D C 1 ? ? +13214 ATOM O O . ALA D 4 54 ? 3.405 -55.266 -60.424 1.00 48.70 ? 64 ALA D O 1 ? ? +13215 ATOM N N . SER D 4 55 ? 2.311 -57.178 -59.934 1.00 49.16 ? 65 SER D N 1 ? ? +13216 ATOM C CA . SER D 4 55 ? 2.822 -57.264 -58.576 1.00 48.73 ? 65 SER D CA 1 ? ? +13217 ATOM C CB . SER D 4 55 ? 1.998 -56.360 -57.665 1.00 48.48 ? 65 SER D CB 1 ? ? +13218 ATOM O OG . SER D 4 55 ? 0.627 -56.701 -57.717 1.00 48.92 ? 65 SER D OG 1 ? ? +13219 ATOM C C . SER D 4 55 ? 2.875 -58.662 -57.976 1.00 48.97 ? 65 SER D C 1 ? ? +13220 ATOM O O . SER D 4 55 ? 2.976 -58.805 -56.762 1.00 48.78 ? 65 SER D O 1 ? ? +13221 ATOM N N . SER D 4 56 ? 2.872 -59.686 -58.827 1.00 49.42 ? 66 SER D N 1 ? ? +13222 ATOM C CA . SER D 4 56 ? 2.898 -61.065 -58.372 1.00 49.80 ? 66 SER D CA 1 ? ? +13223 ATOM C CB . SER D 4 56 ? 1.508 -61.675 -58.474 1.00 50.31 ? 66 SER D CB 1 ? ? +13224 ATOM O OG . SER D 4 56 ? 1.068 -61.606 -59.815 1.00 50.58 ? 66 SER D OG 1 ? ? +13225 ATOM C C . SER D 4 56 ? 3.879 -61.907 -59.184 1.00 50.06 ? 66 SER D C 1 ? ? +13226 ATOM O O . SER D 4 56 ? 4.229 -61.554 -60.305 1.00 50.04 ? 66 SER D O 1 ? ? +13227 ATOM N N . TYR D 4 57 ? 4.287 -63.046 -58.624 1.00 50.38 ? 67 TYR D N 1 ? ? +13228 ATOM C CA . TYR D 4 57 ? 5.159 -63.967 -59.332 1.00 50.75 ? 67 TYR D CA 1 ? ? +13229 ATOM C CB . TYR D 4 57 ? 5.529 -65.178 -58.468 1.00 51.01 ? 67 TYR D CB 1 ? ? +13230 ATOM C CG . TYR D 4 57 ? 6.273 -64.800 -57.208 1.00 50.56 ? 67 TYR D CG 1 ? ? +13231 ATOM C CD1 . TYR D 4 57 ? 7.424 -64.015 -57.261 1.00 50.11 ? 67 TYR D CD1 1 ? ? +13232 ATOM C CD2 . TYR D 4 57 ? 5.836 -65.230 -55.965 1.00 50.64 ? 67 TYR D CD2 1 ? ? +13233 ATOM C CE1 . TYR D 4 57 ? 8.100 -63.651 -56.103 1.00 49.71 ? 67 TYR D CE1 1 ? ? +13234 ATOM C CE2 . TYR D 4 57 ? 6.507 -64.877 -54.803 1.00 50.26 ? 67 TYR D CE2 1 ? ? +13235 ATOM C CZ . TYR D 4 57 ? 7.636 -64.080 -54.876 1.00 49.78 ? 67 TYR D CZ 1 ? ? +13236 ATOM O OH . TYR D 4 57 ? 8.277 -63.727 -53.719 1.00 49.43 ? 67 TYR D OH 1 ? ? +13237 ATOM C C . TYR D 4 57 ? 4.488 -64.418 -60.621 1.00 51.38 ? 67 TYR D C 1 ? ? +13238 ATOM O O . TYR D 4 57 ? 5.144 -64.515 -61.657 1.00 51.51 ? 67 TYR D O 1 ? ? +13239 ATOM N N . LEU D 4 58 ? 3.170 -64.656 -60.537 1.00 51.82 ? 68 LEU D N 1 ? ? +13240 ATOM C CA . LEU D 4 58 ? 2.374 -65.094 -61.669 1.00 52.44 ? 68 LEU D CA 1 ? ? +13241 ATOM C CB . LEU D 4 58 ? 0.898 -65.218 -61.261 1.00 52.78 ? 68 LEU D CB 1 ? ? +13242 ATOM C CG . LEU D 4 58 ? -0.029 -65.764 -62.329 1.00 53.45 ? 68 LEU D CG 1 ? ? +13243 ATOM C CD1 . LEU D 4 58 ? 0.464 -67.101 -62.880 1.00 53.96 ? 68 LEU D CD1 1 ? ? +13244 ATOM C CD2 . LEU D 4 58 ? -1.463 -65.945 -61.789 1.00 53.82 ? 68 LEU D CD2 1 ? ? +13245 ATOM C C . LEU D 4 58 ? 2.505 -64.155 -62.859 1.00 52.34 ? 68 LEU D C 1 ? ? +13246 ATOM O O . LEU D 4 58 ? 2.584 -64.614 -63.988 1.00 52.80 ? 68 LEU D O 1 ? ? +13247 ATOM N N . GLU D 4 59 ? 2.537 -62.850 -62.605 1.00 51.84 ? 69 GLU D N 1 ? ? +13248 ATOM C CA . GLU D 4 59 ? 2.663 -61.870 -63.667 1.00 51.78 ? 69 GLU D CA 1 ? ? +13249 ATOM C CB . GLU D 4 59 ? 2.104 -60.540 -63.184 1.00 51.33 ? 69 GLU D CB 1 ? ? +13250 ATOM C CG . GLU D 4 59 ? 0.628 -60.608 -62.819 1.00 51.60 ? 69 GLU D CG 1 ? ? +13251 ATOM C CD . GLU D 4 59 ? 0.125 -59.336 -62.186 1.00 51.13 ? 69 GLU D CD 1 ? ? +13252 ATOM O OE1 . GLU D 4 59 ? 0.351 -59.133 -60.972 1.00 50.70 ? 69 GLU D OE1 1 ? ? +13253 ATOM O OE2 . GLU D 4 59 ? -0.419 -58.503 -62.938 1.00 51.16 ? 69 GLU D OE2 1 ? ? +13254 ATOM C C . GLU D 4 59 ? 4.094 -61.649 -64.157 1.00 51.70 ? 69 GLU D C 1 ? ? +13255 ATOM O O . GLU D 4 59 ? 4.284 -60.992 -65.175 1.00 51.81 ? 69 GLU D O 1 ? ? +13256 ATOM N N . GLY D 4 60 ? 5.097 -62.187 -63.444 1.00 51.62 ? 70 GLY D N 1 ? ? +13257 ATOM C CA . GLY D 4 60 ? 6.478 -62.095 -63.883 1.00 51.50 ? 70 GLY D CA 1 ? ? +13258 ATOM C C . GLY D 4 60 ? 7.388 -61.277 -62.970 1.00 50.96 ? 70 GLY D C 1 ? ? +13259 ATOM O O . GLY D 4 60 ? 8.566 -61.115 -63.264 1.00 50.86 ? 70 GLY D O 1 ? ? +13260 ATOM N N . CYS D 4 61 ? 6.831 -60.757 -61.873 1.00 50.70 ? 71 CYS D N 1 ? ? +13261 ATOM C CA . CYS D 4 61 ? 7.590 -60.029 -60.875 1.00 50.18 ? 71 CYS D CA 1 ? ? +13262 ATOM C CB . CYS D 4 61 ? 6.656 -59.309 -59.903 1.00 49.89 ? 71 CYS D CB 1 ? ? +13263 ATOM S SG . CYS D 4 61 ? 5.791 -57.887 -60.612 1.00 49.68 ? 71 CYS D SG 1 ? ? +13264 ATOM C C . CYS D 4 61 ? 8.503 -60.993 -60.131 1.00 50.30 ? 71 CYS D C 1 ? ? +13265 ATOM O O . CYS D 4 61 ? 8.243 -62.194 -60.113 1.00 50.85 ? 71 CYS D O 1 ? ? +13266 ATOM N N . ASN D 4 62 ? 9.544 -60.442 -59.501 1.00 49.90 ? 72 ASN D N 1 ? ? +13267 ATOM C CA . ASN D 4 62 ? 10.464 -61.214 -58.686 1.00 49.99 ? 72 ASN D CA 1 ? ? +13268 ATOM C CB . ASN D 4 62 ? 11.926 -61.003 -59.164 1.00 49.82 ? 72 ASN D CB 1 ? ? +13269 ATOM C CG . ASN D 4 62 ? 12.373 -59.574 -59.115 1.00 49.24 ? 72 ASN D CG 1 ? ? +13270 ATOM O OD1 . ASN D 4 62 ? 12.360 -58.931 -58.072 1.00 48.82 ? 72 ASN D OD1 1 ? ? +13271 ATOM N ND2 . ASN D 4 62 ? 12.765 -59.029 -60.243 1.00 49.21 ? 72 ASN D ND2 1 ? ? +13272 ATOM C C . ASN D 4 62 ? 10.298 -60.824 -57.219 1.00 49.75 ? 72 ASN D C 1 ? ? +13273 ATOM O O . ASN D 4 62 ? 9.517 -59.932 -56.902 1.00 49.41 ? 72 ASN D O 1 ? ? +13274 ATOM N N . PHE D 4 63 ? 11.070 -61.473 -56.335 1.00 49.95 ? 73 PHE D N 1 ? ? +13275 ATOM C CA . PHE D 4 63 ? 10.973 -61.231 -54.903 1.00 49.85 ? 73 PHE D CA 1 ? ? +13276 ATOM C CB . PHE D 4 63 ? 12.051 -62.021 -54.158 1.00 50.26 ? 73 PHE D CB 1 ? ? +13277 ATOM C CG . PHE D 4 63 ? 12.102 -61.699 -52.684 1.00 50.30 ? 73 PHE D CG 1 ? ? +13278 ATOM C CD1 . PHE D 4 63 ? 11.016 -61.959 -51.866 1.00 50.52 ? 73 PHE D CD1 1 ? ? +13279 ATOM C CD2 . PHE D 4 63 ? 13.228 -61.103 -52.125 1.00 50.13 ? 73 PHE D CD2 1 ? ? +13280 ATOM C CE1 . PHE D 4 63 ? 11.054 -61.646 -50.509 1.00 50.41 ? 73 PHE D CE1 1 ? ? +13281 ATOM C CE2 . PHE D 4 63 ? 13.262 -60.797 -50.767 1.00 50.05 ? 73 PHE D CE2 1 ? ? +13282 ATOM C CZ . PHE D 4 63 ? 12.170 -61.075 -49.967 1.00 50.16 ? 73 PHE D CZ 1 ? ? +13283 ATOM C C . PHE D 4 63 ? 11.070 -59.762 -54.496 1.00 49.10 ? 73 PHE D C 1 ? ? +13284 ATOM O O . PHE D 4 63 ? 10.432 -59.356 -53.533 1.00 49.02 ? 73 PHE D O 1 ? ? +13285 ATOM N N . LEU D 4 64 ? 11.868 -58.976 -55.226 1.00 48.64 ? 74 LEU D N 1 ? ? +13286 ATOM C CA . LEU D 4 64 ? 12.012 -57.560 -54.940 1.00 47.99 ? 74 LEU D CA 1 ? ? +13287 ATOM C CB . LEU D 4 64 ? 13.296 -57.011 -55.588 1.00 47.86 ? 74 LEU D CB 1 ? ? +13288 ATOM C CG . LEU D 4 64 ? 14.611 -57.685 -55.137 1.00 48.02 ? 74 LEU D CG 1 ? ? +13289 ATOM C CD1 . LEU D 4 64 ? 15.824 -57.059 -55.804 1.00 47.87 ? 74 LEU D CD1 1 ? ? +13290 ATOM C CD2 . LEU D 4 64 ? 14.815 -57.592 -53.636 1.00 47.85 ? 74 LEU D CD2 1 ? ? +13291 ATOM C C . LEU D 4 64 ? 10.822 -56.713 -55.396 1.00 47.68 ? 74 LEU D C 1 ? ? +13292 ATOM O O . LEU D 4 64 ? 10.558 -55.686 -54.787 1.00 47.27 ? 74 LEU D O 1 ? ? +13293 ATOM N N . THR D 4 65 ? 10.130 -57.105 -56.473 1.00 47.83 ? 75 THR D N 1 ? ? +13294 ATOM C CA . THR D 4 65 ? 9.089 -56.264 -57.049 1.00 47.64 ? 75 THR D CA 1 ? ? +13295 ATOM C CB . THR D 4 65 ? 9.307 -56.116 -58.559 1.00 47.77 ? 75 THR D CB 1 ? ? +13296 ATOM O OG1 . THR D 4 65 ? 9.263 -57.381 -59.204 1.00 48.19 ? 75 THR D OG1 1 ? ? +13297 ATOM C CG2 . THR D 4 65 ? 10.622 -55.441 -58.870 1.00 47.50 ? 75 THR D CG2 1 ? ? +13298 ATOM C C . THR D 4 65 ? 7.644 -56.684 -56.761 1.00 47.82 ? 75 THR D C 1 ? ? +13299 ATOM O O . THR D 4 65 ? 6.723 -55.936 -57.059 1.00 47.86 ? 75 THR D O 1 ? ? +13300 ATOM N N . VAL D 4 66 ? 7.432 -57.877 -56.201 1.00 48.03 ? 76 VAL D N 1 ? ? +13301 ATOM C CA . VAL D 4 66 ? 6.091 -58.306 -55.829 1.00 48.21 ? 76 VAL D CA 1 ? ? +13302 ATOM C CB . VAL D 4 66 ? 5.976 -59.801 -55.437 1.00 48.66 ? 76 VAL D CB 1 ? ? +13303 ATOM C CG1 . VAL D 4 66 ? 6.278 -60.718 -56.608 1.00 49.07 ? 76 VAL D CG1 1 ? ? +13304 ATOM C CG2 . VAL D 4 66 ? 6.861 -60.141 -54.231 1.00 48.49 ? 76 VAL D CG2 1 ? ? +13305 ATOM C C . VAL D 4 66 ? 5.616 -57.457 -54.658 1.00 47.78 ? 76 VAL D C 1 ? ? +13306 ATOM O O . VAL D 4 66 ? 6.415 -56.955 -53.871 1.00 47.39 ? 76 VAL D O 1 ? ? +13307 ATOM N N . ALA D 4 67 ? 4.300 -57.295 -54.559 1.00 47.86 ? 77 ALA D N 1 ? ? +13308 ATOM C CA . ALA D 4 67 ? 3.695 -56.669 -53.398 1.00 47.55 ? 77 ALA D CA 1 ? ? +13309 ATOM C CB . ALA D 4 67 ? 3.749 -55.167 -53.505 1.00 47.10 ? 77 ALA D CB 1 ? ? +13310 ATOM C C . ALA D 4 67 ? 2.246 -57.110 -53.287 1.00 47.90 ? 77 ALA D C 1 ? ? +13311 ATOM O O . ALA D 4 67 ? 1.703 -57.632 -54.239 1.00 48.28 ? 77 ALA D O 1 ? ? +13312 ATOM N N . VAL D 4 68 ? 1.673 -56.941 -52.095 1.00 47.79 ? 78 VAL D N 1 ? ? +13313 ATOM C CA . VAL D 4 68 ? 0.248 -56.771 -51.928 1.00 48.00 ? 78 VAL D CA 1 ? ? +13314 ATOM C CB . VAL D 4 68 ? -0.272 -57.504 -50.699 1.00 48.26 ? 78 VAL D CB 1 ? ? +13315 ATOM C CG1 . VAL D 4 68 ? -1.773 -57.245 -50.487 1.00 48.53 ? 78 VAL D CG1 1 ? ? +13316 ATOM C CG2 . VAL D 4 68 ? 0.021 -58.990 -50.802 1.00 48.71 ? 78 VAL D CG2 1 ? ? +13317 ATOM C C . VAL D 4 68 ? 0.060 -55.264 -51.828 1.00 47.52 ? 78 VAL D C 1 ? ? +13318 ATOM O O . VAL D 4 68 ? 0.409 -54.668 -50.815 1.00 47.14 ? 78 VAL D O 1 ? ? +13319 ATOM N N . SER D 4 69 ? -0.460 -54.659 -52.898 1.00 47.57 ? 79 SER D N 1 ? ? +13320 ATOM C CA . SER D 4 69 ? -0.605 -53.220 -52.984 1.00 47.16 ? 79 SER D CA 1 ? ? +13321 ATOM C CB . SER D 4 69 ? -0.613 -52.767 -54.436 1.00 47.24 ? 79 SER D CB 1 ? ? +13322 ATOM O OG . SER D 4 69 ? 0.540 -53.196 -55.137 1.00 47.17 ? 79 SER D OG 1 ? ? +13323 ATOM C C . SER D 4 69 ? -1.867 -52.712 -52.299 1.00 47.26 ? 79 SER D C 1 ? ? +13324 ATOM O O . SER D 4 69 ? -2.843 -53.443 -52.130 1.00 47.75 ? 79 SER D O 1 ? ? +13325 ATOM N N . THR D 4 70 ? -1.835 -51.422 -51.947 1.00 46.85 ? 80 THR D N 1 ? ? +13326 ATOM C CA . THR D 4 70 ? -2.949 -50.771 -51.279 1.00 46.85 ? 80 THR D CA 1 ? ? +13327 ATOM C CB . THR D 4 70 ? -2.533 -49.371 -50.880 1.00 46.28 ? 80 THR D CB 1 ? ? +13328 ATOM O OG1 . THR D 4 70 ? -2.029 -48.700 -52.030 1.00 46.08 ? 80 THR D OG1 1 ? ? +13329 ATOM C CG2 . THR D 4 70 ? -1.509 -49.384 -49.791 1.00 45.90 ? 80 THR D CG2 1 ? ? +13330 ATOM C C . THR D 4 70 ? -4.179 -50.763 -52.175 1.00 47.32 ? 80 THR D C 1 ? ? +13331 ATOM O O . THR D 4 70 ? -4.061 -50.933 -53.381 1.00 47.49 ? 80 THR D O 1 ? ? +13332 ATOM N N . PRO D 4 71 ? -5.400 -50.575 -51.631 1.00 47.62 ? 81 PRO D N 1 ? ? +13333 ATOM C CA . PRO D 4 71 ? -6.586 -50.438 -52.482 1.00 48.10 ? 81 PRO D CA 1 ? ? +13334 ATOM C CB . PRO D 4 71 ? -7.747 -50.425 -51.479 1.00 48.35 ? 81 PRO D CB 1 ? ? +13335 ATOM C CG . PRO D 4 71 ? -7.182 -50.994 -50.205 1.00 48.16 ? 81 PRO D CG 1 ? ? +13336 ATOM C CD . PRO D 4 71 ? -5.720 -50.586 -50.195 1.00 47.55 ? 81 PRO D CD 1 ? ? +13337 ATOM C C . PRO D 4 71 ? -6.538 -49.164 -53.320 1.00 47.91 ? 81 PRO D C 1 ? ? +13338 ATOM O O . PRO D 4 71 ? -5.693 -48.297 -53.098 1.00 47.37 ? 81 PRO D O 1 ? ? +13339 ATOM N N . ALA D 4 72 ? -7.458 -49.055 -54.283 1.00 48.41 ? 82 ALA D N 1 ? ? +13340 ATOM C CA . ALA D 4 72 ? -7.567 -47.858 -55.099 1.00 48.35 ? 82 ALA D CA 1 ? ? +13341 ATOM C CB . ALA D 4 72 ? -8.540 -48.058 -56.237 1.00 48.96 ? 82 ALA D CB 1 ? ? +13342 ATOM C C . ALA D 4 72 ? -8.003 -46.693 -54.218 1.00 48.15 ? 82 ALA D C 1 ? ? +13343 ATOM O O . ALA D 4 72 ? -8.661 -46.884 -53.190 1.00 48.29 ? 82 ALA D O 1 ? ? +13344 ATOM N N . ASN D 4 73 ? -7.602 -45.487 -54.624 1.00 47.88 ? 83 ASN D N 1 ? ? +13345 ATOM C CA . ASN D 4 73 ? -7.928 -44.286 -53.881 1.00 47.68 ? 83 ASN D CA 1 ? ? +13346 ATOM C CB . ASN D 4 73 ? -7.319 -43.093 -54.563 1.00 47.34 ? 83 ASN D CB 1 ? ? +13347 ATOM C CG . ASN D 4 73 ? -7.530 -41.817 -53.802 1.00 47.05 ? 83 ASN D CG 1 ? ? +13348 ATOM O OD1 . ASN D 4 73 ? -6.975 -41.617 -52.712 1.00 46.72 ? 83 ASN D OD1 1 ? ? +13349 ATOM N ND2 . ASN D 4 73 ? -8.322 -40.909 -54.359 1.00 47.27 ? 83 ASN D ND2 1 ? ? +13350 ATOM C C . ASN D 4 73 ? -9.439 -44.094 -53.721 1.00 48.24 ? 83 ASN D C 1 ? ? +13351 ATOM O O . ASN D 4 73 ? -9.886 -43.526 -52.732 1.00 48.13 ? 83 ASN D O 1 ? ? +13352 ATOM N N . SER D 4 74 ? -10.226 -44.559 -54.693 1.00 48.91 ? 84 SER D N 1 ? ? +13353 ATOM C CA . SER D 4 74 ? -11.673 -44.385 -54.633 1.00 49.57 ? 84 SER D CA 1 ? ? +13354 ATOM C CB . SER D 4 74 ? -12.302 -44.762 -55.964 1.00 50.19 ? 84 SER D CB 1 ? ? +13355 ATOM O OG . SER D 4 74 ? -11.984 -46.106 -56.302 1.00 50.54 ? 84 SER D OG 1 ? ? +13356 ATOM C C . SER D 4 74 ? -12.347 -45.179 -53.513 1.00 49.90 ? 84 SER D C 1 ? ? +13357 ATOM O O . SER D 4 74 ? -13.505 -44.943 -53.187 1.00 50.25 ? 84 SER D O 1 ? ? +13358 ATOM N N . MET D 4 75 ? -11.610 -46.133 -52.925 1.00 49.82 ? 85 MET D N 1 ? ? +13359 ATOM C CA . MET D 4 75 ? -12.126 -46.911 -51.813 1.00 50.12 ? 85 MET D CA 1 ? ? +13360 ATOM C CB . MET D 4 75 ? -11.336 -48.227 -51.680 1.00 50.30 ? 85 MET D CB 1 ? ? +13361 ATOM C CG . MET D 4 75 ? -11.451 -49.129 -52.867 1.00 50.92 ? 85 MET D CG 1 ? ? +13362 ATOM S SD . MET D 4 75 ? -13.164 -49.612 -53.113 1.00 52.12 ? 85 MET D SD 1 ? ? +13363 ATOM C CE . MET D 4 75 ? -13.066 -50.265 -54.656 1.00 52.59 ? 85 MET D CE 1 ? ? +13364 ATOM C C . MET D 4 75 ? -12.065 -46.151 -50.492 1.00 49.64 ? 85 MET D C 1 ? ? +13365 ATOM O O . MET D 4 75 ? -12.525 -46.666 -49.483 1.00 49.82 ? 85 MET D O 1 ? ? +13366 ATOM N N . GLY D 4 76 ? -11.466 -44.950 -50.493 1.00 49.08 ? 86 GLY D N 1 ? ? +13367 ATOM C CA . GLY D 4 76 ? -11.234 -44.192 -49.275 1.00 48.61 ? 86 GLY D CA 1 ? ? +13368 ATOM C C . GLY D 4 76 ? -10.601 -45.046 -48.179 1.00 48.47 ? 86 GLY D C 1 ? ? +13369 ATOM O O . GLY D 4 76 ? -9.635 -45.768 -48.427 1.00 48.41 ? 86 GLY D O 1 ? ? +13370 ATOM N N . HIS D 4 77 ? -11.170 -44.972 -46.969 1.00 48.52 ? 87 HIS D N 1 ? ? +13371 ATOM C CA . HIS D 4 77 ? -10.729 -45.759 -45.826 1.00 48.37 ? 87 HIS D CA 1 ? ? +13372 ATOM C CB . HIS D 4 77 ? -10.628 -44.842 -44.613 1.00 47.94 ? 87 HIS D CB 1 ? ? +13373 ATOM C CG . HIS D 4 77 ? -9.768 -43.642 -44.850 1.00 47.36 ? 87 HIS D CG 1 ? ? +13374 ATOM N ND1 . HIS D 4 77 ? -10.330 -42.402 -45.142 1.00 47.28 ? 87 HIS D ND1 1 ? ? +13375 ATOM C CE1 . HIS D 4 77 ? -9.289 -41.573 -45.298 1.00 46.75 ? 87 HIS D CE1 1 ? ? +13376 ATOM N NE2 . HIS D 4 77 ? -8.106 -42.225 -45.139 1.00 46.41 ? 87 HIS D NE2 1 ? ? +13377 ATOM C CD2 . HIS D 4 77 ? -8.399 -43.535 -44.874 1.00 46.82 ? 87 HIS D CD2 1 ? ? +13378 ATOM C C . HIS D 4 77 ? -11.654 -46.941 -45.535 1.00 49.03 ? 87 HIS D C 1 ? ? +13379 ATOM O O . HIS D 4 77 ? -11.794 -47.371 -44.391 1.00 49.02 ? 87 HIS D O 1 ? ? +13380 ATOM N N . SER D 4 78 ? -12.256 -47.488 -46.594 1.00 49.63 ? 88 SER D N 1 ? ? +13381 ATOM C CA . SER D 4 78 ? -13.111 -48.656 -46.470 1.00 50.41 ? 88 SER D CA 1 ? ? +13382 ATOM C CB . SER D 4 78 ? -13.596 -49.098 -47.841 1.00 50.86 ? 88 SER D CB 1 ? ? +13383 ATOM O OG . SER D 4 78 ? -14.235 -50.357 -47.774 1.00 51.45 ? 88 SER D OG 1 ? ? +13384 ATOM C C . SER D 4 78 ? -12.359 -49.800 -45.795 1.00 50.44 ? 88 SER D C 1 ? ? +13385 ATOM O O . SER D 4 78 ? -11.197 -50.029 -46.109 1.00 50.04 ? 88 SER D O 1 ? ? +13386 ATOM N N . LEU D 4 79 ? -13.052 -50.533 -44.905 1.00 50.93 ? 89 LEU D N 1 ? ? +13387 ATOM C CA . LEU D 4 79 ? -12.500 -51.725 -44.278 1.00 51.05 ? 89 LEU D CA 1 ? ? +13388 ATOM C CB . LEU D 4 79 ? -13.405 -52.214 -43.135 1.00 51.52 ? 89 LEU D CB 1 ? ? +13389 ATOM C CG . LEU D 4 79 ? -13.507 -51.287 -41.915 1.00 51.23 ? 89 LEU D CG 1 ? ? +13390 ATOM C CD1 . LEU D 4 79 ? -14.543 -51.776 -40.907 1.00 51.75 ? 89 LEU D CD1 1 ? ? +13391 ATOM C CD2 . LEU D 4 79 ? -12.167 -51.144 -41.240 1.00 50.62 ? 89 LEU D CD2 1 ? ? +13392 ATOM C C . LEU D 4 79 ? -12.331 -52.828 -45.317 1.00 51.43 ? 89 LEU D C 1 ? ? +13393 ATOM O O . LEU D 4 79 ? -11.550 -53.757 -45.122 1.00 51.48 ? 89 LEU D O 1 ? ? +13394 ATOM N N . LEU D 4 80 ? -13.064 -52.699 -46.431 1.00 51.78 ? 90 LEU D N 1 ? ? +13395 ATOM C CA . LEU D 4 80 ? -13.041 -53.651 -47.530 1.00 52.16 ? 90 LEU D CA 1 ? ? +13396 ATOM C CB . LEU D 4 80 ? -11.742 -53.541 -48.337 1.00 51.72 ? 90 LEU D CB 1 ? ? +13397 ATOM C CG . LEU D 4 80 ? -11.813 -52.567 -49.497 1.00 51.58 ? 90 LEU D CG 1 ? ? +13398 ATOM C CD1 . LEU D 4 80 ? -10.429 -52.298 -50.101 1.00 51.05 ? 90 LEU D CD1 1 ? ? +13399 ATOM C CD2 . LEU D 4 80 ? -12.720 -53.071 -50.559 1.00 52.21 ? 90 LEU D CD2 1 ? ? +13400 ATOM C C . LEU D 4 80 ? -13.247 -55.072 -47.027 1.00 52.62 ? 90 LEU D C 1 ? ? +13401 ATOM O O . LEU D 4 80 ? -12.503 -55.980 -47.385 1.00 52.70 ? 90 LEU D O 1 ? ? +13402 ATOM N N . LEU D 4 81 ? -14.299 -55.253 -46.221 1.00 52.99 ? 91 LEU D N 1 ? ? +13403 ATOM C CA . LEU D 4 81 ? -14.669 -56.574 -45.757 1.00 53.49 ? 91 LEU D CA 1 ? ? +13404 ATOM C CB . LEU D 4 81 ? -15.790 -56.494 -44.727 1.00 53.89 ? 91 LEU D CB 1 ? ? +13405 ATOM C CG . LEU D 4 81 ? -15.508 -55.577 -43.528 1.00 53.35 ? 91 LEU D CG 1 ? ? +13406 ATOM C CD1 . LEU D 4 81 ? -16.686 -55.578 -42.584 1.00 53.85 ? 91 LEU D CD1 1 ? ? +13407 ATOM C CD2 . LEU D 4 81 ? -14.214 -55.981 -42.789 1.00 52.84 ? 91 LEU D CD2 1 ? ? +13408 ATOM C C . LEU D 4 81 ? -15.074 -57.367 -46.995 1.00 53.97 ? 91 LEU D C 1 ? ? +13409 ATOM O O . LEU D 4 81 ? -15.578 -56.798 -47.964 1.00 54.12 ? 91 LEU D O 1 ? ? +13410 ATOM N N . LEU D 4 82 ? -14.792 -58.672 -46.964 1.00 54.21 ? 92 LEU D N 1 ? ? +13411 ATOM C CA . LEU D 4 82 ? -15.137 -59.552 -48.059 1.00 54.76 ? 92 LEU D CA 1 ? ? +13412 ATOM C CB . LEU D 4 82 ? -14.677 -60.986 -47.732 1.00 55.10 ? 92 LEU D CB 1 ? ? +13413 ATOM C CG . LEU D 4 82 ? -15.155 -62.067 -48.701 1.00 55.84 ? 92 LEU D CG 1 ? ? +13414 ATOM C CD1 . LEU D 4 82 ? -14.631 -61.784 -50.089 1.00 55.64 ? 92 LEU D CD1 1 ? ? +13415 ATOM C CD2 . LEU D 4 82 ? -14.760 -63.437 -48.223 1.00 56.17 ? 92 LEU D CD2 1 ? ? +13416 ATOM C C . LEU D 4 82 ? -16.647 -59.504 -48.303 1.00 55.41 ? 92 LEU D C 1 ? ? +13417 ATOM O O . LEU D 4 82 ? -17.082 -59.503 -49.451 1.00 55.74 ? 92 LEU D O 1 ? ? +13418 ATOM N N . TRP D 4 83 ? -17.429 -59.449 -47.214 1.00 55.58 ? 93 TRP D N 1 ? ? +13419 ATOM C CA . TRP D 4 83 ? -18.892 -59.417 -47.268 1.00 56.24 ? 93 TRP D CA 1 ? ? +13420 ATOM C CB . TRP D 4 83 ? -19.477 -60.185 -46.065 1.00 56.80 ? 93 TRP D CB 1 ? ? +13421 ATOM C CG . TRP D 4 83 ? -19.031 -59.644 -44.740 1.00 56.37 ? 93 TRP D CG 1 ? ? +13422 ATOM C CD1 . TRP D 4 83 ? -19.579 -58.603 -44.064 1.00 56.25 ? 93 TRP D CD1 1 ? ? +13423 ATOM N NE1 . TRP D 4 83 ? -18.873 -58.365 -42.906 1.00 55.78 ? 93 TRP D NE1 1 ? ? +13424 ATOM C CE2 . TRP D 4 83 ? -17.832 -59.254 -42.826 1.00 55.60 ? 93 TRP D CE2 1 ? ? +13425 ATOM C CZ2 . TRP D 4 83 ? -16.848 -59.412 -41.849 1.00 55.17 ? 93 TRP D CZ2 1 ? ? +13426 ATOM C CH2 . TRP D 4 83 ? -15.901 -60.388 -42.051 1.00 55.11 ? 93 TRP D CH2 1 ? ? +13427 ATOM C CZ3 . TRP D 4 83 ? -15.931 -61.205 -43.176 1.00 55.49 ? 93 TRP D CZ3 1 ? ? +13428 ATOM C CE3 . TRP D 4 83 ? -16.912 -61.056 -44.141 1.00 55.94 ? 93 TRP D CE3 1 ? ? +13429 ATOM C CD2 . TRP D 4 83 ? -17.889 -60.066 -43.971 1.00 55.98 ? 93 TRP D CD2 1 ? ? +13430 ATOM C C . TRP D 4 83 ? -19.441 -57.993 -47.277 1.00 55.83 ? 93 TRP D C 1 ? ? +13431 ATOM O O . TRP D 4 83 ? -20.642 -57.788 -47.146 1.00 56.32 ? 93 TRP D O 1 ? ? +13432 ATOM N N . GLY D 4 84 ? -18.544 -57.007 -47.401 1.00 54.90 ? 94 GLY D N 1 ? ? +13433 ATOM C CA . GLY D 4 84 ? -18.929 -55.605 -47.427 1.00 54.49 ? 94 GLY D CA 1 ? ? +13434 ATOM C C . GLY D 4 84 ? -19.562 -55.184 -48.751 1.00 54.71 ? 94 GLY D C 1 ? ? +13435 ATOM O O . GLY D 4 84 ? -19.714 -55.982 -49.676 1.00 55.15 ? 94 GLY D O 1 ? ? +13436 ATOM N N . PRO D 4 85 ? -19.961 -53.905 -48.876 1.00 54.42 ? 95 PRO D N 1 ? ? +13437 ATOM C CA . PRO D 4 85 ? -20.707 -53.442 -50.048 1.00 54.78 ? 95 PRO D CA 1 ? ? +13438 ATOM C CB . PRO D 4 85 ? -21.248 -52.091 -49.589 1.00 54.59 ? 95 PRO D CB 1 ? ? +13439 ATOM C CG . PRO D 4 85 ? -20.289 -51.636 -48.530 1.00 53.84 ? 95 PRO D CG 1 ? ? +13440 ATOM C CD . PRO D 4 85 ? -19.760 -52.867 -47.860 1.00 53.86 ? 95 PRO D CD 1 ? ? +13441 ATOM C C . PRO D 4 85 ? -19.901 -53.306 -51.336 1.00 54.48 ? 95 PRO D C 1 ? ? +13442 ATOM O O . PRO D 4 85 ? -20.479 -53.295 -52.419 1.00 54.89 ? 95 PRO D O 1 ? ? +13443 ATOM N N . GLU D 4 86 ? -18.567 -53.215 -51.211 1.00 53.74 ? 96 GLU D N 1 ? ? +13444 ATOM C CA . GLU D 4 86 ? -17.680 -53.109 -52.359 1.00 53.43 ? 96 GLU D CA 1 ? ? +13445 ATOM C CB . GLU D 4 86 ? -16.287 -52.635 -51.916 1.00 52.56 ? 96 GLU D CB 1 ? ? +13446 ATOM C CG . GLU D 4 86 ? -16.313 -51.312 -51.175 1.00 52.07 ? 96 GLU D CG 1 ? ? +13447 ATOM C CD . GLU D 4 86 ? -16.488 -51.382 -49.676 1.00 51.99 ? 96 GLU D CD 1 ? ? +13448 ATOM O OE1 . GLU D 4 86 ? -16.528 -52.506 -49.112 1.00 52.32 ? 96 GLU D OE1 1 ? ? +13449 ATOM O OE2 . GLU D 4 86 ? -16.564 -50.291 -49.060 1.00 51.63 ? 96 GLU D OE2 1 ? ? +13450 ATOM C C . GLU D 4 86 ? -17.533 -54.429 -53.107 1.00 53.91 ? 96 GLU D C 1 ? ? +13451 ATOM O O . GLU D 4 86 ? -17.755 -54.482 -54.313 1.00 54.22 ? 96 GLU D O 1 ? ? +13452 ATOM N N . ALA D 4 87 ? -17.135 -55.485 -52.387 1.00 54.02 ? 97 ALA D N 1 ? ? +13453 ATOM C CA . ALA D 4 87 ? -16.901 -56.786 -52.997 1.00 54.49 ? 97 ALA D CA 1 ? ? +13454 ATOM C CB . ALA D 4 87 ? -15.799 -57.540 -52.261 1.00 54.13 ? 97 ALA D CB 1 ? ? +13455 ATOM C C . ALA D 4 87 ? -18.169 -57.631 -53.047 1.00 55.44 ? 97 ALA D C 1 ? ? +13456 ATOM O O . ALA D 4 87 ? -18.319 -58.443 -53.958 1.00 56.01 ? 97 ALA D O 1 ? ? +13457 ATOM N N . GLN D 4 88 ? -19.048 -57.456 -52.051 1.00 55.71 ? 98 GLN D N 1 ? ? +13458 ATOM C CA . GLN D 4 88 ? -20.331 -58.156 -51.993 1.00 56.66 ? 98 GLN D CA 1 ? ? +13459 ATOM C CB . GLN D 4 88 ? -21.242 -57.759 -53.162 1.00 57.19 ? 98 GLN D CB 1 ? ? +13460 ATOM C CG . GLN D 4 88 ? -21.497 -56.258 -53.236 1.00 56.88 ? 98 GLN D CG 1 ? ? +13461 ATOM C CD . GLN D 4 88 ? -22.006 -55.818 -54.604 1.00 57.29 ? 98 GLN D CD 1 ? ? +13462 ATOM O OE1 . GLN D 4 88 ? -22.886 -56.439 -55.208 1.00 58.19 ? 98 GLN D OE1 1 ? ? +13463 ATOM N NE2 . GLN D 4 88 ? -21.450 -54.752 -55.136 1.00 56.75 ? 98 GLN D NE2 1 ? ? +13464 ATOM C C . GLN D 4 88 ? -20.155 -59.670 -52.007 1.00 57.09 ? 98 GLN D C 1 ? ? +13465 ATOM O O . GLN D 4 88 ? -20.911 -60.377 -52.664 1.00 57.80 ? 98 GLN D O 1 ? ? +13466 ATOM N N . GLY D 4 89 ? -19.125 -60.145 -51.293 1.00 56.63 ? 99 GLY D N 1 ? ? +13467 ATOM C CA . GLY D 4 89 ? -18.895 -61.567 -51.121 1.00 57.04 ? 99 GLY D CA 1 ? ? +13468 ATOM C C . GLY D 4 89 ? -18.181 -62.259 -52.278 1.00 57.11 ? 99 GLY D C 1 ? ? +13469 ATOM O O . GLY D 4 89 ? -17.955 -63.458 -52.225 1.00 57.46 ? 99 GLY D O 1 ? ? +13470 ATOM N N . ASP D 4 90 ? -17.830 -61.516 -53.329 1.00 56.84 ? 100 ASP D N 1 ? ? +13471 ATOM C CA . ASP D 4 90 ? -17.073 -62.096 -54.425 1.00 56.92 ? 100 ASP D CA 1 ? ? +13472 ATOM C CB . ASP D 4 90 ? -17.383 -61.372 -55.733 1.00 57.01 ? 100 ASP D CB 1 ? ? +13473 ATOM C CG . ASP D 4 90 ? -16.774 -62.061 -56.929 1.00 57.20 ? 100 ASP D CG 1 ? ? +13474 ATOM O OD1 . ASP D 4 90 ? -15.561 -62.340 -56.898 1.00 56.70 ? 100 ASP D OD1 1 ? ? +13475 ATOM O OD2 . ASP D 4 90 ? -17.507 -62.327 -57.886 1.00 57.86 ? 100 ASP D OD2 1 ? ? +13476 ATOM C C . ASP D 4 90 ? -15.568 -62.058 -54.132 1.00 56.19 ? 100 ASP D C 1 ? ? +13477 ATOM O O . ASP D 4 90 ? -14.967 -60.994 -54.121 1.00 55.50 ? 100 ASP D O 1 ? ? +13478 ATOM N N . PHE D 4 91 ? -14.974 -63.233 -53.914 1.00 56.41 ? 101 PHE D N 1 ? ? +13479 ATOM C CA . PHE D 4 91 ? -13.576 -63.369 -53.536 1.00 55.86 ? 101 PHE D CA 1 ? ? +13480 ATOM C CB . PHE D 4 91 ? -13.232 -64.858 -53.283 1.00 56.29 ? 101 PHE D CB 1 ? ? +13481 ATOM C CG . PHE D 4 91 ? -11.776 -65.102 -52.996 1.00 55.77 ? 101 PHE D CG 1 ? ? +13482 ATOM C CD1 . PHE D 4 91 ? -11.247 -64.847 -51.742 1.00 55.32 ? 101 PHE D CD1 1 ? ? +13483 ATOM C CD2 . PHE D 4 91 ? -10.917 -65.528 -53.997 1.00 55.74 ? 101 PHE D CD2 1 ? ? +13484 ATOM C CE1 . PHE D 4 91 ? -9.891 -65.053 -51.483 1.00 54.83 ? 101 PHE D CE1 1 ? ? +13485 ATOM C CE2 . PHE D 4 91 ? -9.552 -65.715 -53.740 1.00 55.23 ? 101 PHE D CE2 1 ? ? +13486 ATOM C CZ . PHE D 4 91 ? -9.054 -65.482 -52.485 1.00 54.79 ? 101 PHE D CZ 1 ? ? +13487 ATOM C C . PHE D 4 91 ? -12.620 -62.813 -54.590 1.00 55.42 ? 101 PHE D C 1 ? ? +13488 ATOM O O . PHE D 4 91 ? -11.618 -62.179 -54.253 1.00 54.67 ? 101 PHE D O 1 ? ? +13489 ATOM N N . THR D 4 92 ? -12.929 -63.083 -55.865 1.00 55.92 ? 102 THR D N 1 ? ? +13490 ATOM C CA . THR D 4 92 ? -12.099 -62.650 -56.978 1.00 55.62 ? 102 THR D CA 1 ? ? +13491 ATOM C CB . THR D 4 92 ? -12.573 -63.294 -58.280 1.00 56.22 ? 102 THR D CB 1 ? ? +13492 ATOM O OG1 . THR D 4 92 ? -12.467 -64.703 -58.151 1.00 56.66 ? 102 THR D OG1 1 ? ? +13493 ATOM C CG2 . THR D 4 92 ? -11.788 -62.869 -59.469 1.00 55.92 ? 102 THR D CG2 1 ? ? +13494 ATOM C C . THR D 4 92 ? -12.067 -61.127 -57.043 1.00 55.20 ? 102 THR D C 1 ? ? +13495 ATOM O O . THR D 4 92 ? -10.988 -60.530 -57.121 1.00 54.55 ? 102 THR D O 1 ? ? +13496 ATOM N N . ARG D 4 93 ? -13.252 -60.506 -56.986 1.00 55.62 ? 103 ARG D N 1 ? ? +13497 ATOM C CA . ARG D 4 93 ? -13.343 -59.057 -57.041 1.00 55.28 ? 103 ARG D CA 1 ? ? +13498 ATOM C CB . ARG D 4 93 ? -14.808 -58.616 -57.094 1.00 56.14 ? 103 ARG D CB 1 ? ? +13499 ATOM C CG . ARG D 4 93 ? -15.475 -59.031 -58.387 1.00 57.18 ? 103 ARG D CG 1 ? ? +13500 ATOM C CD . ARG D 4 93 ? -14.988 -58.212 -59.580 1.00 57.13 ? 103 ARG D CD 1 ? ? +13501 ATOM N NE . ARG D 4 93 ? -15.572 -58.736 -60.809 1.00 58.17 ? 103 ARG D NE 1 ? ? +13502 ATOM C CZ . ARG D 4 93 ? -15.206 -59.865 -61.398 1.00 58.72 ? 103 ARG D CZ 1 ? ? +13503 ATOM N NH1 . ARG D 4 93 ? -13.998 -60.371 -61.231 1.00 58.39 ? 103 ARG D NH1 1 ? ? +13504 ATOM N NH2 . ARG D 4 93 ? -16.061 -60.476 -62.209 1.00 59.61 ? 103 ARG D NH2 1 ? ? +13505 ATOM C C . ARG D 4 93 ? -12.635 -58.408 -55.857 1.00 54.31 ? 103 ARG D C 1 ? ? +13506 ATOM O O . ARG D 4 93 ? -11.975 -57.394 -56.016 1.00 53.63 ? 103 ARG D O 1 ? ? +13507 ATOM N N . TRP D 4 94 ? -12.815 -59.002 -54.676 1.00 54.24 ? 104 TRP D N 1 ? ? +13508 ATOM C CA . TRP D 4 94 ? -12.194 -58.542 -53.448 1.00 53.50 ? 104 TRP D CA 1 ? ? +13509 ATOM C CB . TRP D 4 94 ? -12.602 -59.513 -52.339 1.00 53.83 ? 104 TRP D CB 1 ? ? +13510 ATOM C CG . TRP D 4 94 ? -12.162 -59.161 -50.960 1.00 53.31 ? 104 TRP D CG 1 ? ? +13511 ATOM C CD1 . TRP D 4 94 ? -12.497 -58.054 -50.242 1.00 52.96 ? 104 TRP D CD1 1 ? ? +13512 ATOM N NE1 . TRP D 4 94 ? -11.922 -58.106 -49.000 1.00 52.60 ? 104 TRP D NE1 1 ? ? +13513 ATOM C CE2 . TRP D 4 94 ? -11.204 -59.267 -48.895 1.00 52.72 ? 104 TRP D CE2 1 ? ? +13514 ATOM C CZ2 . TRP D 4 94 ? -10.447 -59.767 -47.844 1.00 52.52 ? 104 TRP D CZ2 1 ? ? +13515 ATOM C CH2 . TRP D 4 94 ? -9.828 -60.965 -48.032 1.00 52.74 ? 104 TRP D CH2 1 ? ? +13516 ATOM C CZ3 . TRP D 4 94 ? -9.926 -61.655 -49.233 1.00 53.16 ? 104 TRP D CZ3 1 ? ? +13517 ATOM C CE3 . TRP D 4 94 ? -10.678 -61.168 -50.275 1.00 53.37 ? 104 TRP D CE3 1 ? ? +13518 ATOM C CD2 . TRP D 4 94 ? -11.338 -59.953 -50.114 1.00 53.15 ? 104 TRP D CD2 1 ? ? +13519 ATOM C C . TRP D 4 94 ? -10.674 -58.474 -53.583 1.00 52.83 ? 104 TRP D C 1 ? ? +13520 ATOM O O . TRP D 4 94 ? -10.037 -57.559 -53.087 1.00 52.20 ? 104 TRP D O 1 ? ? +13521 ATOM N N . CYS D 4 95 ? -10.103 -59.476 -54.246 1.00 52.98 ? 105 CYS D N 1 ? ? +13522 ATOM C CA . CYS D 4 95 ? -8.691 -59.499 -54.561 1.00 52.45 ? 105 CYS D CA 1 ? ? +13523 ATOM C CB . CYS D 4 95 ? -8.310 -60.855 -55.139 1.00 52.86 ? 105 CYS D CB 1 ? ? +13524 ATOM S SG . CYS D 4 95 ? -8.235 -62.173 -53.904 1.00 53.12 ? 105 CYS D SG 1 ? ? +13525 ATOM C C . CYS D 4 95 ? -8.297 -58.354 -55.487 1.00 52.02 ? 105 CYS D C 1 ? ? +13526 ATOM O O . CYS D 4 95 ? -7.345 -57.644 -55.199 1.00 51.45 ? 105 CYS D O 1 ? ? +13527 ATOM N N . GLN D 4 96 ? -9.052 -58.167 -56.571 1.00 52.38 ? 106 GLN D N 1 ? ? +13528 ATOM C CA . GLN D 4 96 ? -8.775 -57.141 -57.563 1.00 52.08 ? 106 GLN D CA 1 ? ? +13529 ATOM C CB . GLN D 4 96 ? -9.646 -57.332 -58.820 1.00 52.76 ? 106 GLN D CB 1 ? ? +13530 ATOM C CG . GLN D 4 96 ? -9.519 -58.690 -59.522 1.00 53.34 ? 106 GLN D CG 1 ? ? +13531 ATOM C CD . GLN D 4 96 ? -10.656 -58.925 -60.521 1.00 54.10 ? 106 GLN D CD 1 ? ? +13532 ATOM O OE1 . GLN D 4 96 ? -11.841 -58.797 -60.209 1.00 54.54 ? 106 GLN D OE1 1 ? ? +13533 ATOM N NE2 . GLN D 4 96 ? -10.342 -59.293 -61.753 1.00 54.35 ? 106 GLN D NE2 1 ? ? +13534 ATOM C C . GLN D 4 96 ? -9.029 -55.731 -57.044 1.00 51.61 ? 106 GLN D C 1 ? ? +13535 ATOM O O . GLN D 4 96 ? -8.607 -54.761 -57.661 1.00 51.29 ? 106 GLN D O 1 ? ? +13536 ATOM N N . LEU D 4 97 ? -9.767 -55.604 -55.937 1.00 51.65 ? 107 LEU D N 1 ? ? +13537 ATOM C CA . LEU D 4 97 ? -10.100 -54.298 -55.390 1.00 51.26 ? 107 LEU D CA 1 ? ? +13538 ATOM C CB . LEU D 4 97 ? -11.540 -54.288 -54.845 1.00 51.77 ? 107 LEU D CB 1 ? ? +13539 ATOM C CG . LEU D 4 97 ? -12.610 -54.353 -55.913 1.00 52.44 ? 107 LEU D CG 1 ? ? +13540 ATOM C CD1 . LEU D 4 97 ? -14.072 -54.369 -55.272 1.00 52.97 ? 107 LEU D CD1 1 ? ? +13541 ATOM C CD2 . LEU D 4 97 ? -12.422 -53.202 -56.915 1.00 52.23 ? 107 LEU D CD2 1 ? ? +13542 ATOM C C . LEU D 4 97 ? -9.122 -53.863 -54.309 1.00 50.53 ? 107 LEU D C 1 ? ? +13543 ATOM O O . LEU D 4 97 ? -9.183 -52.715 -53.874 1.00 50.13 ? 107 LEU D O 1 ? ? +13544 ATOM N N . GLY D 4 98 ? -8.239 -54.788 -53.904 1.00 50.37 ? 108 GLY D N 1 ? ? +13545 ATOM C CA . GLY D 4 98 ? -7.225 -54.527 -52.893 1.00 49.74 ? 108 GLY D CA 1 ? ? +13546 ATOM C C . GLY D 4 98 ? -7.605 -54.983 -51.485 1.00 49.80 ? 108 GLY D C 1 ? ? +13547 ATOM O O . GLY D 4 98 ? -7.039 -54.507 -50.503 1.00 49.33 ? 108 GLY D O 1 ? ? +13548 ATOM N N . GLY D 4 99 ? -8.566 -55.907 -51.394 1.00 50.37 ? 109 GLY D N 1 ? ? +13549 ATOM C CA . GLY D 4 99 ? -9.049 -56.406 -50.121 1.00 50.54 ? 109 GLY D CA 1 ? ? +13550 ATOM C C . GLY D 4 99 ? -7.976 -57.119 -49.305 1.00 50.26 ? 109 GLY D C 1 ? ? +13551 ATOM O O . GLY D 4 99 ? -7.994 -57.081 -48.079 1.00 50.13 ? 109 GLY D O 1 ? ? +13552 ATOM N N . LEU D 4 100 ? -7.043 -57.784 -49.987 1.00 50.18 ? 110 LEU D N 1 ? ? +13553 ATOM C CA . LEU D 4 100 ? -5.954 -58.441 -49.282 1.00 49.95 ? 110 LEU D CA 1 ? ? +13554 ATOM C CB . LEU D 4 100 ? -5.047 -59.215 -50.247 1.00 50.09 ? 110 LEU D CB 1 ? ? +13555 ATOM C CG . LEU D 4 100 ? -5.598 -60.528 -50.776 1.00 50.84 ? 110 LEU D CG 1 ? ? +13556 ATOM C CD1 . LEU D 4 100 ? -4.521 -61.310 -51.480 1.00 50.86 ? 110 LEU D CD1 1 ? ? +13557 ATOM C CD2 . LEU D 4 100 ? -6.219 -61.391 -49.650 1.00 51.29 ? 110 LEU D CD2 1 ? ? +13558 ATOM C C . LEU D 4 100 ? -5.106 -57.472 -48.458 1.00 49.15 ? 110 LEU D C 1 ? ? +13559 ATOM O O . LEU D 4 100 ? -4.532 -57.878 -47.453 1.00 48.99 ? 110 LEU D O 1 ? ? +13560 ATOM N N . TRP D 4 101 ? -5.070 -56.194 -48.844 1.00 48.64 ? 111 TRP D N 1 ? ? +13561 ATOM C CA . TRP D 4 101 ? -4.309 -55.214 -48.095 1.00 47.99 ? 111 TRP D CA 1 ? ? +13562 ATOM C CB . TRP D 4 101 ? -4.178 -53.874 -48.844 1.00 47.57 ? 111 TRP D CB 1 ? ? +13563 ATOM C CG . TRP D 4 101 ? -3.161 -53.003 -48.182 1.00 46.94 ? 111 TRP D CG 1 ? ? +13564 ATOM C CD1 . TRP D 4 101 ? -1.827 -52.940 -48.465 1.00 46.57 ? 111 TRP D CD1 1 ? ? +13565 ATOM N NE1 . TRP D 4 101 ? -1.208 -52.052 -47.624 1.00 46.06 ? 111 TRP D NE1 1 ? ? +13566 ATOM C CE2 . TRP D 4 101 ? -2.134 -51.534 -46.761 1.00 46.08 ? 111 TRP D CE2 1 ? ? +13567 ATOM C CZ2 . TRP D 4 101 ? -1.992 -50.603 -45.742 1.00 45.70 ? 111 TRP D CZ2 1 ? ? +13568 ATOM C CH2 . TRP D 4 101 ? -3.118 -50.263 -45.040 1.00 45.87 ? 111 TRP D CH2 1 ? ? +13569 ATOM C CZ3 . TRP D 4 101 ? -4.368 -50.818 -45.341 1.00 46.39 ? 111 TRP D CZ3 1 ? ? +13570 ATOM C CE3 . TRP D 4 101 ? -4.512 -51.734 -46.354 1.00 46.78 ? 111 TRP D CE3 1 ? ? +13571 ATOM C CD2 . TRP D 4 101 ? -3.381 -52.108 -47.090 1.00 46.63 ? 111 TRP D CD2 1 ? ? +13572 ATOM C C . TRP D 4 101 ? -4.863 -54.971 -46.692 1.00 47.94 ? 111 TRP D C 1 ? ? +13573 ATOM O O . TRP D 4 101 ? -4.098 -55.016 -45.725 1.00 47.63 ? 111 TRP D O 1 ? ? +13574 ATOM N N . THR D 4 102 ? -6.172 -54.675 -46.594 1.00 48.23 ? 112 THR D N 1 ? ? +13575 ATOM C CA . THR D 4 102 ? -6.802 -54.460 -45.301 1.00 48.26 ? 112 THR D CA 1 ? ? +13576 ATOM C CB . THR D 4 102 ? -8.210 -53.862 -45.431 1.00 48.58 ? 112 THR D CB 1 ? ? +13577 ATOM O OG1 . THR D 4 102 ? -9.004 -54.672 -46.280 1.00 49.19 ? 112 THR D OG1 1 ? ? +13578 ATOM C CG2 . THR D 4 102 ? -8.167 -52.452 -45.961 1.00 48.17 ? 112 THR D CG2 1 ? ? +13579 ATOM C C . THR D 4 102 ? -6.816 -55.755 -44.499 1.00 48.64 ? 112 THR D C 1 ? ? +13580 ATOM O O . THR D 4 102 ? -6.604 -55.733 -43.290 1.00 48.47 ? 112 THR D O 1 ? ? +13581 ATOM N N . PHE D 4 103 ? -7.065 -56.875 -45.184 1.00 49.18 ? 113 PHE D N 1 ? ? +13582 ATOM C CA . PHE D 4 103 ? -6.950 -58.200 -44.593 1.00 49.62 ? 113 PHE D CA 1 ? ? +13583 ATOM C CB . PHE D 4 103 ? -7.093 -59.285 -45.678 1.00 50.13 ? 113 PHE D CB 1 ? ? +13584 ATOM C CG . PHE D 4 103 ? -7.128 -60.710 -45.170 1.00 50.68 ? 113 PHE D CG 1 ? ? +13585 ATOM C CD1 . PHE D 4 103 ? -8.307 -61.273 -44.714 1.00 51.34 ? 113 PHE D CD1 1 ? ? +13586 ATOM C CD2 . PHE D 4 103 ? -5.984 -61.486 -45.149 1.00 50.60 ? 113 PHE D CD2 1 ? ? +13587 ATOM C CE1 . PHE D 4 103 ? -8.338 -62.597 -44.255 1.00 51.86 ? 113 PHE D CE1 1 ? ? +13588 ATOM C CE2 . PHE D 4 103 ? -6.012 -62.789 -44.671 1.00 51.12 ? 113 PHE D CE2 1 ? ? +13589 ATOM C CZ . PHE D 4 103 ? -7.189 -63.340 -44.233 1.00 51.75 ? 113 PHE D CZ 1 ? ? +13590 ATOM C C . PHE D 4 103 ? -5.617 -58.342 -43.854 1.00 49.22 ? 113 PHE D C 1 ? ? +13591 ATOM O O . PHE D 4 103 ? -5.597 -58.586 -42.651 1.00 49.27 ? 113 PHE D O 1 ? ? +13592 ATOM N N . ILE D 4 104 ? -4.502 -58.143 -44.572 1.00 48.88 ? 114 ILE D N 1 ? ? +13593 ATOM C CA . ILE D 4 104 ? -3.179 -58.249 -43.969 1.00 48.51 ? 114 ILE D CA 1 ? ? +13594 ATOM C CB . ILE D 4 104 ? -2.060 -58.191 -45.029 1.00 48.23 ? 114 ILE D CB 1 ? ? +13595 ATOM C CG1 . ILE D 4 104 ? -2.152 -59.374 -46.010 1.00 48.74 ? 114 ILE D CG1 1 ? ? +13596 ATOM C CG2 . ILE D 4 104 ? -0.660 -58.145 -44.360 1.00 47.84 ? 114 ILE D CG2 1 ? ? +13597 ATOM C CD1 . ILE D 4 104 ? -1.342 -59.183 -47.277 1.00 48.55 ? 114 ILE D CD1 1 ? ? +13598 ATOM C C . ILE D 4 104 ? -2.968 -57.207 -42.875 1.00 48.05 ? 114 ILE D C 1 ? ? +13599 ATOM O O . ILE D 4 104 ? -2.560 -57.550 -41.773 1.00 48.02 ? 114 ILE D O 1 ? ? +13600 ATOM N N . ALA D 4 105 ? -3.264 -55.940 -43.166 1.00 47.74 ? 115 ALA D N 1 ? ? +13601 ATOM C CA . ALA D 4 105 ? -3.025 -54.880 -42.201 1.00 47.36 ? 115 ALA D CA 1 ? ? +13602 ATOM C CB . ALA D 4 105 ? -3.387 -53.542 -42.800 1.00 47.01 ? 115 ALA D CB 1 ? ? +13603 ATOM C C . ALA D 4 105 ? -3.771 -55.095 -40.886 1.00 47.74 ? 115 ALA D C 1 ? ? +13604 ATOM O O . ALA D 4 105 ? -3.202 -54.942 -39.814 1.00 47.49 ? 115 ALA D O 1 ? ? +13605 ATOM N N . LEU D 4 106 ? -5.052 -55.471 -40.969 1.00 48.44 ? 116 LEU D N 1 ? ? +13606 ATOM C CA . LEU D 4 106 ? -5.877 -55.626 -39.784 1.00 48.86 ? 116 LEU D CA 1 ? ? +13607 ATOM C CB . LEU D 4 106 ? -7.353 -55.577 -40.190 1.00 49.35 ? 116 LEU D CB 1 ? ? +13608 ATOM C CG . LEU D 4 106 ? -7.815 -54.266 -40.772 1.00 49.07 ? 116 LEU D CG 1 ? ? +13609 ATOM C CD1 . LEU D 4 106 ? -9.319 -54.331 -41.125 1.00 49.66 ? 116 LEU D CD1 1 ? ? +13610 ATOM C CD2 . LEU D 4 106 ? -7.549 -53.119 -39.831 1.00 48.60 ? 116 LEU D CD2 1 ? ? +13611 ATOM C C . LEU D 4 106 ? -5.568 -56.905 -39.012 1.00 49.36 ? 116 LEU D C 1 ? ? +13612 ATOM O O . LEU D 4 106 ? -5.489 -56.872 -37.784 1.00 49.42 ? 116 LEU D O 1 ? ? +13613 ATOM N N . HIS D 4 107 ? -5.384 -58.026 -39.715 1.00 49.86 ? 117 HIS D N 1 ? ? +13614 ATOM C CA . HIS D 4 107 ? -4.975 -59.248 -39.046 1.00 50.37 ? 117 HIS D CA 1 ? ? +13615 ATOM C CB . HIS D 4 107 ? -5.025 -60.456 -39.989 1.00 50.79 ? 117 HIS D CB 1 ? ? +13616 ATOM C CG . HIS D 4 107 ? -6.414 -60.902 -40.338 1.00 51.39 ? 117 HIS D CG 1 ? ? +13617 ATOM N ND1 . HIS D 4 107 ? -7.028 -61.921 -39.645 1.00 51.97 ? 117 HIS D ND1 1 ? ? +13618 ATOM C CE1 . HIS D 4 107 ? -8.213 -62.042 -40.171 1.00 52.41 ? 117 HIS D CE1 1 ? ? +13619 ATOM N NE2 . HIS D 4 107 ? -8.417 -61.148 -41.128 1.00 52.13 ? 117 HIS D NE2 1 ? ? +13620 ATOM C CD2 . HIS D 4 107 ? -7.288 -60.410 -41.240 1.00 51.45 ? 117 HIS D CD2 1 ? ? +13621 ATOM C C . HIS D 4 107 ? -3.573 -59.072 -38.459 1.00 50.20 ? 117 HIS D C 1 ? ? +13622 ATOM O O . HIS D 4 107 ? -3.299 -59.496 -37.340 1.00 50.43 ? 117 HIS D O 1 ? ? +13623 ATOM N N . GLY D 4 108 ? -2.684 -58.420 -39.212 1.00 49.97 ? 118 GLY D N 1 ? ? +13624 ATOM C CA . GLY D 4 108 ? -1.365 -58.103 -38.702 1.00 49.82 ? 118 GLY D CA 1 ? ? +13625 ATOM C C . GLY D 4 108 ? -1.419 -57.296 -37.408 1.00 49.85 ? 118 GLY D C 1 ? ? +13626 ATOM O O . GLY D 4 108 ? -0.664 -57.569 -36.476 1.00 49.89 ? 118 GLY D O 1 ? ? +13627 ATOM N N . ALA D 4 109 ? -2.322 -56.309 -37.360 1.00 50.00 ? 119 ALA D N 1 ? ? +13628 ATOM C CA . ALA D 4 109 ? -2.458 -55.466 -36.185 1.00 50.01 ? 119 ALA D CA 1 ? ? +13629 ATOM C CB . ALA D 4 109 ? -3.471 -54.369 -36.435 1.00 49.90 ? 119 ALA D CB 1 ? ? +13630 ATOM C C . ALA D 4 109 ? -2.845 -56.293 -34.960 1.00 50.76 ? 119 ALA D C 1 ? ? +13631 ATOM O O . ALA D 4 109 ? -2.190 -56.206 -33.921 1.00 50.75 ? 119 ALA D O 1 ? ? +13632 ATOM N N . PHE D 4 110 ? -3.903 -57.102 -35.087 1.00 51.60 ? 120 PHE D N 1 ? ? +13633 ATOM C CA . PHE D 4 110 ? -4.351 -57.939 -33.987 1.00 52.30 ? 120 PHE D CA 1 ? ? +13634 ATOM C CB . PHE D 4 110 ? -5.724 -58.544 -34.323 1.00 53.25 ? 120 PHE D CB 1 ? ? +13635 ATOM C CG . PHE D 4 110 ? -6.803 -57.509 -34.168 1.00 53.68 ? 120 PHE D CG 1 ? ? +13636 ATOM C CD1 . PHE D 4 110 ? -7.205 -57.091 -32.914 1.00 53.98 ? 120 PHE D CD1 1 ? ? +13637 ATOM C CD2 . PHE D 4 110 ? -7.395 -56.927 -35.276 1.00 53.95 ? 120 PHE D CD2 1 ? ? +13638 ATOM C CE1 . PHE D 4 110 ? -8.192 -56.136 -32.771 1.00 54.16 ? 120 PHE D CE1 1 ? ? +13639 ATOM C CE2 . PHE D 4 110 ? -8.386 -55.970 -35.131 1.00 54.07 ? 120 PHE D CE2 1 ? ? +13640 ATOM C CZ . PHE D 4 110 ? -8.774 -55.577 -33.879 1.00 54.24 ? 120 PHE D CZ 1 ? ? +13641 ATOM C C . PHE D 4 110 ? -3.345 -59.032 -33.627 1.00 52.22 ? 120 PHE D C 1 ? ? +13642 ATOM O O . PHE D 4 110 ? -3.224 -59.417 -32.467 1.00 52.29 ? 120 PHE D O 1 ? ? +13643 ATOM N N . GLY D 4 111 ? -2.636 -59.540 -34.636 1.00 52.11 ? 121 GLY D N 1 ? ? +13644 ATOM C CA . GLY D 4 111 ? -1.535 -60.465 -34.415 1.00 52.16 ? 121 GLY D CA 1 ? ? +13645 ATOM C C . GLY D 4 111 ? -0.435 -59.893 -33.520 1.00 51.59 ? 121 GLY D C 1 ? ? +13646 ATOM O O . GLY D 4 111 ? 0.096 -60.595 -32.660 1.00 51.74 ? 121 GLY D O 1 ? ? +13647 ATOM N N . LEU D 4 112 ? -0.111 -58.613 -33.737 1.00 50.97 ? 122 LEU D N 1 ? ? +13648 ATOM C CA . LEU D 4 112 ? 0.889 -57.911 -32.943 1.00 50.52 ? 122 LEU D CA 1 ? ? +13649 ATOM C CB . LEU D 4 112 ? 1.205 -56.560 -33.593 1.00 49.86 ? 122 LEU D CB 1 ? ? +13650 ATOM C CG . LEU D 4 112 ? 2.055 -56.605 -34.853 1.00 49.64 ? 122 LEU D CG 1 ? ? +13651 ATOM C CD1 . LEU D 4 112 ? 2.201 -55.240 -35.450 1.00 49.14 ? 122 LEU D CD1 1 ? ? +13652 ATOM C CD2 . LEU D 4 112 ? 3.433 -57.141 -34.578 1.00 49.58 ? 122 LEU D CD2 1 ? ? +13653 ATOM C C . LEU D 4 112 ? 0.438 -57.714 -31.494 1.00 50.66 ? 122 LEU D C 1 ? ? +13654 ATOM O O . LEU D 4 112 ? 1.234 -57.851 -30.563 1.00 50.66 ? 122 LEU D O 1 ? ? +13655 ATOM N N . ILE D 4 113 ? -0.853 -57.407 -31.314 1.00 50.78 ? 123 ILE D N 1 ? ? +13656 ATOM C CA . ILE D 4 113 ? -1.451 -57.366 -29.993 1.00 50.90 ? 123 ILE D CA 1 ? ? +13657 ATOM C CB . ILE D 4 113 ? -2.940 -56.957 -30.111 1.00 51.22 ? 123 ILE D CB 1 ? ? +13658 ATOM C CG1 . ILE D 4 113 ? -3.055 -55.503 -30.599 1.00 50.74 ? 123 ILE D CG1 1 ? ? +13659 ATOM C CG2 . ILE D 4 113 ? -3.700 -57.170 -28.793 1.00 51.65 ? 123 ILE D CG2 1 ? ? +13660 ATOM C CD1 . ILE D 4 113 ? -4.455 -55.055 -30.861 1.00 51.02 ? 123 ILE D CD1 1 ? ? +13661 ATOM C C . ILE D 4 113 ? -1.258 -58.726 -29.327 1.00 51.26 ? 123 ILE D C 1 ? ? +13662 ATOM O O . ILE D 4 113 ? -0.815 -58.807 -28.186 1.00 51.22 ? 123 ILE D O 1 ? ? +13663 ATOM N N . GLY D 4 114 ? -1.611 -59.788 -30.060 1.00 51.57 ? 124 GLY D N 1 ? ? +13664 ATOM C CA . GLY D 4 114 ? -1.465 -61.151 -29.580 1.00 52.00 ? 124 GLY D CA 1 ? ? +13665 ATOM C C . GLY D 4 114 ? -0.040 -61.490 -29.144 1.00 51.73 ? 124 GLY D C 1 ? ? +13666 ATOM O O . GLY D 4 114 ? 0.162 -62.098 -28.102 1.00 51.93 ? 124 GLY D O 1 ? ? +13667 ATOM N N . PHE D 4 115 ? 0.950 -61.091 -29.948 1.00 51.24 ? 125 PHE D N 1 ? ? +13668 ATOM C CA . PHE D 4 115 ? 2.344 -61.363 -29.626 1.00 51.09 ? 125 PHE D CA 1 ? ? +13669 ATOM C CB . PHE D 4 115 ? 3.274 -60.962 -30.771 1.00 50.62 ? 125 PHE D CB 1 ? ? +13670 ATOM C CG . PHE D 4 115 ? 4.653 -61.543 -30.629 1.00 50.61 ? 125 PHE D CG 1 ? ? +13671 ATOM C CD1 . PHE D 4 115 ? 4.912 -62.843 -30.999 1.00 51.12 ? 125 PHE D CD1 1 ? ? +13672 ATOM C CD2 . PHE D 4 115 ? 5.688 -60.793 -30.102 1.00 50.21 ? 125 PHE D CD2 1 ? ? +13673 ATOM C CE1 . PHE D 4 115 ? 6.198 -63.375 -30.871 1.00 51.20 ? 125 PHE D CE1 1 ? ? +13674 ATOM C CE2 . PHE D 4 115 ? 6.958 -61.325 -29.971 1.00 50.22 ? 125 PHE D CE2 1 ? ? +13675 ATOM C CZ . PHE D 4 115 ? 7.207 -62.615 -30.350 1.00 50.71 ? 125 PHE D CZ 1 ? ? +13676 ATOM C C . PHE D 4 115 ? 2.768 -60.651 -28.342 1.00 50.77 ? 125 PHE D C 1 ? ? +13677 ATOM O O . PHE D 4 115 ? 3.403 -61.242 -27.481 1.00 50.89 ? 125 PHE D O 1 ? ? +13678 ATOM N N . MET D 4 116 ? 2.371 -59.388 -28.201 1.00 50.39 ? 126 MET D N 1 ? ? +13679 ATOM C CA . MET D 4 116 ? 2.654 -58.655 -26.982 1.00 50.29 ? 126 MET D CA 1 ? ? +13680 ATOM C CB . MET D 4 116 ? 2.306 -57.182 -27.165 1.00 49.95 ? 126 MET D CB 1 ? ? +13681 ATOM C CG . MET D 4 116 ? 2.763 -56.324 -26.014 1.00 49.83 ? 126 MET D CG 1 ? ? +13682 ATOM S SD . MET D 4 116 ? 2.912 -54.580 -26.459 1.00 49.40 ? 126 MET D SD 1 ? ? +13683 ATOM C CE . MET D 4 116 ? 3.180 -53.896 -24.881 1.00 49.23 ? 126 MET D CE 1 ? ? +13684 ATOM C C . MET D 4 116 ? 1.934 -59.236 -25.762 1.00 50.84 ? 126 MET D C 1 ? ? +13685 ATOM O O . MET D 4 116 ? 2.510 -59.260 -24.677 1.00 50.89 ? 126 MET D O 1 ? ? +13686 ATOM N N . LEU D 4 117 ? 0.690 -59.716 -25.934 1.00 51.18 ? 127 LEU D N 1 ? ? +13687 ATOM C CA . LEU D 4 117 ? -0.010 -60.392 -24.854 1.00 51.78 ? 127 LEU D CA 1 ? ? +13688 ATOM C CB . LEU D 4 117 ? -1.485 -60.696 -25.220 1.00 52.19 ? 127 LEU D CB 1 ? ? +13689 ATOM C CG . LEU D 4 117 ? -2.420 -59.504 -25.314 1.00 51.94 ? 127 LEU D CG 1 ? ? +13690 ATOM C CD1 . LEU D 4 117 ? -3.764 -59.886 -25.896 1.00 52.40 ? 127 LEU D CD1 1 ? ? +13691 ATOM C CD2 . LEU D 4 117 ? -2.660 -58.890 -23.971 1.00 51.96 ? 127 LEU D CD2 1 ? ? +13692 ATOM C C . LEU D 4 117 ? 0.707 -61.691 -24.490 1.00 52.25 ? 127 LEU D C 1 ? ? +13693 ATOM O O . LEU D 4 117 ? 0.769 -62.048 -23.318 1.00 52.56 ? 127 LEU D O 1 ? ? +13694 ATOM N N . ARG D 4 118 ? 1.230 -62.395 -25.506 1.00 52.36 ? 128 ARG D N 1 ? ? +13695 ATOM C CA . ARG D 4 118 ? 2.043 -63.590 -25.307 1.00 52.80 ? 128 ARG D CA 1 ? ? +13696 ATOM C CB . ARG D 4 118 ? 2.492 -64.166 -26.660 1.00 52.82 ? 128 ARG D CB 1 ? ? +13697 ATOM C CG . ARG D 4 118 ? 3.412 -65.386 -26.607 1.00 53.21 ? 128 ARG D CG 1 ? ? +13698 ATOM C CD . ARG D 4 118 ? 3.808 -65.812 -28.012 1.00 53.18 ? 128 ARG D CD 1 ? ? +13699 ATOM N NE . ARG D 4 118 ? 4.598 -67.035 -28.001 1.00 53.68 ? 128 ARG D NE 1 ? ? +13700 ATOM C CZ . ARG D 4 118 ? 4.107 -68.264 -28.081 1.00 54.51 ? 128 ARG D CZ 1 ? ? +13701 ATOM N NH1 . ARG D 4 118 ? 2.807 -68.502 -28.020 1.00 55.05 ? 128 ARG D NH1 1 ? ? +13702 ATOM N NH2 . ARG D 4 118 ? 4.942 -69.291 -28.178 1.00 54.92 ? 128 ARG D NH2 1 ? ? +13703 ATOM C C . ARG D 4 118 ? 3.280 -63.340 -24.450 1.00 52.59 ? 128 ARG D C 1 ? ? +13704 ATOM O O . ARG D 4 118 ? 3.618 -64.170 -23.614 1.00 53.07 ? 128 ARG D O 1 ? ? +13705 ATOM N N A GLN D 4 119 ? 3.945 -62.201 -24.674 0.40 51.97 ? 129 GLN D N 1 ? ? +13706 ATOM N N B GLN D 4 119 ? 3.946 -62.202 -24.676 0.60 51.99 ? 129 GLN D N 1 ? ? +13707 ATOM C CA A GLN D 4 119 ? 5.115 -61.818 -23.900 0.40 51.77 ? 129 GLN D CA 1 ? ? +13708 ATOM C CA B GLN D 4 119 ? 5.115 -61.814 -23.903 0.60 51.80 ? 129 GLN D CA 1 ? ? +13709 ATOM C C A GLN D 4 119 ? 4.743 -61.604 -22.435 0.40 52.05 ? 129 GLN D C 1 ? ? +13710 ATOM C C B GLN D 4 119 ? 4.743 -61.603 -22.438 0.60 52.07 ? 129 GLN D C 1 ? ? +13711 ATOM O O A GLN D 4 119 ? 5.444 -62.076 -21.542 0.40 52.28 ? 129 GLN D O 1 ? ? +13712 ATOM O O B GLN D 4 119 ? 5.442 -62.076 -21.546 0.60 52.34 ? 129 GLN D O 1 ? ? +13713 ATOM C CB A GLN D 4 119 ? 5.749 -60.547 -24.486 0.40 51.03 ? 129 GLN D CB 1 ? ? +13714 ATOM C CB B GLN D 4 119 ? 5.742 -60.537 -24.487 0.60 51.08 ? 129 GLN D CB 1 ? ? +13715 ATOM C CG A GLN D 4 119 ? 6.357 -60.750 -25.869 0.40 50.81 ? 129 GLN D CG 1 ? ? +13716 ATOM C CG B GLN D 4 119 ? 6.354 -60.741 -25.867 0.60 50.87 ? 129 GLN D CG 1 ? ? +13717 ATOM C CD A GLN D 4 119 ? 6.699 -59.444 -26.523 0.40 50.16 ? 129 GLN D CD 1 ? ? +13718 ATOM C CD B GLN D 4 119 ? 6.693 -59.440 -26.527 0.60 50.23 ? 129 GLN D CD 1 ? ? +13719 ATOM O OE1 A GLN D 4 119 ? 5.864 -58.538 -26.617 0.40 49.91 ? 129 GLN D OE1 1 ? ? +13720 ATOM O OE1 B GLN D 4 119 ? 5.859 -58.535 -26.637 0.60 49.98 ? 129 GLN D OE1 1 ? ? +13721 ATOM N NE2 A GLN D 4 119 ? 7.942 -59.304 -26.987 0.40 49.91 ? 129 GLN D NE2 1 ? ? +13722 ATOM N NE2 B GLN D 4 119 ? 7.938 -59.302 -26.992 0.60 49.99 ? 129 GLN D NE2 1 ? ? +13723 ATOM N N . PHE D 4 120 ? 3.626 -60.903 -22.207 1.00 52.06 ? 130 PHE D N 1 ? ? +13724 ATOM C CA . PHE D 4 120 ? 3.084 -60.724 -20.867 1.00 52.40 ? 130 PHE D CA 1 ? ? +13725 ATOM C CB . PHE D 4 120 ? 1.846 -59.823 -20.879 1.00 52.25 ? 130 PHE D CB 1 ? ? +13726 ATOM C CG . PHE D 4 120 ? 2.130 -58.343 -20.841 1.00 51.61 ? 130 PHE D CG 1 ? ? +13727 ATOM C CD1 . PHE D 4 120 ? 2.714 -57.765 -19.736 1.00 51.53 ? 130 PHE D CD1 1 ? ? +13728 ATOM C CD2 . PHE D 4 120 ? 1.788 -57.527 -21.902 1.00 51.17 ? 130 PHE D CD2 1 ? ? +13729 ATOM C CE1 . PHE D 4 120 ? 2.964 -56.398 -19.697 1.00 50.95 ? 130 PHE D CE1 1 ? ? +13730 ATOM C CE2 . PHE D 4 120 ? 2.033 -56.161 -21.856 1.00 50.59 ? 130 PHE D CE2 1 ? ? +13731 ATOM C CZ . PHE D 4 120 ? 2.615 -55.605 -20.754 1.00 50.48 ? 130 PHE D CZ 1 ? ? +13732 ATOM C C . PHE D 4 120 ? 2.703 -62.038 -20.195 1.00 53.27 ? 130 PHE D C 1 ? ? +13733 ATOM O O . PHE D 4 120 ? 3.009 -62.238 -19.022 1.00 53.56 ? 130 PHE D O 1 ? ? +13734 ATOM N N . GLU D 4 121 ? 2.051 -62.926 -20.953 1.00 53.85 ? 131 GLU D N 1 ? ? +13735 ATOM C CA . GLU D 4 121 ? 1.565 -64.192 -20.423 1.00 54.87 ? 131 GLU D CA 1 ? ? +13736 ATOM C CB . GLU D 4 121 ? 0.683 -64.904 -21.464 1.00 55.18 ? 131 GLU D CB 1 ? ? +13737 ATOM C CG . GLU D 4 121 ? -0.176 -65.997 -20.869 1.00 56.08 ? 131 GLU D CG 1 ? ? +13738 ATOM C CD . GLU D 4 121 ? -1.199 -66.629 -21.801 1.00 56.48 ? 131 GLU D CD 1 ? ? +13739 ATOM O OE1 . GLU D 4 121 ? -1.099 -66.414 -23.032 1.00 56.28 ? 131 GLU D OE1 1 ? ? +13740 ATOM O OE2 . GLU D 4 121 ? -2.109 -67.321 -21.293 1.00 57.03 ? 131 GLU D OE2 1 ? ? +13741 ATOM C C . GLU D 4 121 ? 2.705 -65.109 -19.985 1.00 55.46 ? 131 GLU D C 1 ? ? +13742 ATOM O O . GLU D 4 121 ? 2.718 -65.611 -18.864 1.00 55.96 ? 131 GLU D O 1 ? ? +13743 ATOM N N . ILE D 4 122 ? 3.679 -65.318 -20.874 1.00 55.62 ? 132 ILE D N 1 ? ? +13744 ATOM C CA . ILE D 4 122 ? 4.819 -66.165 -20.565 1.00 56.17 ? 132 ILE D CA 1 ? ? +13745 ATOM C CB . ILE D 4 122 ? 5.643 -66.435 -21.836 1.00 56.12 ? 132 ILE D CB 1 ? ? +13746 ATOM C CG1 . ILE D 4 122 ? 4.804 -67.226 -22.853 1.00 56.50 ? 132 ILE D CG1 1 ? ? +13747 ATOM C CG2 . ILE D 4 122 ? 6.969 -67.172 -21.510 1.00 56.43 ? 132 ILE D CG2 1 ? ? +13748 ATOM C CD1 . ILE D 4 122 ? 5.467 -67.362 -24.198 1.00 56.29 ? 132 ILE D CD1 1 ? ? +13749 ATOM C C . ILE D 4 122 ? 5.681 -65.595 -19.437 1.00 56.14 ? 132 ILE D C 1 ? ? +13750 ATOM O O . ILE D 4 122 ? 6.170 -66.347 -18.600 1.00 56.60 ? 132 ILE D O 1 ? ? +13751 ATOM N N A ALA D 4 123 ? 5.852 -64.268 -19.416 0.40 55.61 ? 133 ALA D N 1 ? ? +13752 ATOM N N B ALA D 4 123 ? 5.855 -64.268 -19.418 0.60 55.60 ? 133 ALA D N 1 ? ? +13753 ATOM C CA A ALA D 4 123 ? 6.601 -63.611 -18.355 0.40 55.54 ? 133 ALA D CA 1 ? ? +13754 ATOM C CA B ALA D 4 123 ? 6.601 -63.610 -18.356 0.60 55.51 ? 133 ALA D CA 1 ? ? +13755 ATOM C C A ALA D 4 123 ? 5.976 -63.865 -16.983 0.40 56.22 ? 133 ALA D C 1 ? ? +13756 ATOM C C B ALA D 4 123 ? 5.975 -63.866 -16.984 0.60 56.23 ? 133 ALA D C 1 ? ? +13757 ATOM O O A ALA D 4 123 ? 6.685 -64.084 -16.004 0.40 56.53 ? 133 ALA D O 1 ? ? +13758 ATOM O O B ALA D 4 123 ? 6.682 -64.085 -16.003 0.60 56.56 ? 133 ALA D O 1 ? ? +13759 ATOM C CB A ALA D 4 123 ? 6.692 -62.117 -18.621 0.40 54.75 ? 133 ALA D CB 1 ? ? +13760 ATOM C CB B ALA D 4 123 ? 6.687 -62.113 -18.621 0.60 54.69 ? 133 ALA D CB 1 ? ? +13761 ATOM N N . ARG D 4 124 ? 4.639 -63.838 -16.926 1.00 56.55 ? 134 ARG D N 1 ? ? +13762 ATOM C CA . ARG D 4 124 ? 3.914 -64.056 -15.684 1.00 57.25 ? 134 ARG D CA 1 ? ? +13763 ATOM C CB . ARG D 4 124 ? 2.429 -63.704 -15.881 1.00 57.47 ? 134 ARG D CB 1 ? ? +13764 ATOM C CG . ARG D 4 124 ? 1.586 -63.722 -14.613 1.00 58.03 ? 134 ARG D CG 1 ? ? +13765 ATOM C CD . ARG D 4 124 ? 2.075 -62.725 -13.572 1.00 57.87 ? 134 ARG D CD 1 ? ? +13766 ATOM N NE . ARG D 4 124 ? 3.114 -63.286 -12.717 1.00 58.22 ? 134 ARG D NE 1 ? ? +13767 ATOM C CZ . ARG D 4 124 ? 3.605 -62.693 -11.641 1.00 58.43 ? 134 ARG D CZ 1 ? ? +13768 ATOM N NH1 . ARG D 4 124 ? 3.047 -61.606 -11.137 1.00 58.25 ? 134 ARG D NH1 1 ? ? +13769 ATOM N NH2 . ARG D 4 124 ? 4.684 -63.204 -11.054 1.00 58.90 ? 134 ARG D NH2 1 ? ? +13770 ATOM C C . ARG D 4 124 ? 4.046 -65.484 -15.164 1.00 58.22 ? 134 ARG D C 1 ? ? +13771 ATOM O O . ARG D 4 124 ? 4.142 -65.704 -13.961 1.00 58.68 ? 134 ARG D O 1 ? ? +13772 ATOM N N . LEU D 4 125 ? 4.071 -66.458 -16.072 1.00 58.75 ? 135 LEU D N 1 ? ? +13773 ATOM C CA . LEU D 4 125 ? 4.145 -67.856 -15.676 1.00 59.78 ? 135 LEU D CA 1 ? ? +13774 ATOM C CB . LEU D 4 125 ? 3.644 -68.739 -16.831 1.00 60.24 ? 135 LEU D CB 1 ? ? +13775 ATOM C CG . LEU D 4 125 ? 2.207 -68.480 -17.323 1.00 60.47 ? 135 LEU D CG 1 ? ? +13776 ATOM C CD1 . LEU D 4 125 ? 1.827 -69.440 -18.419 1.00 60.89 ? 135 LEU D CD1 1 ? ? +13777 ATOM C CD2 . LEU D 4 125 ? 1.186 -68.583 -16.217 1.00 61.05 ? 135 LEU D CD2 1 ? ? +13778 ATOM C C . LEU D 4 125 ? 5.561 -68.264 -15.259 1.00 59.90 ? 135 LEU D C 1 ? ? +13779 ATOM O O . LEU D 4 125 ? 5.751 -69.023 -14.309 1.00 60.64 ? 135 LEU D O 1 ? ? +13780 ATOM N N A VAL D 4 126 ? 6.555 -67.752 -15.987 0.40 59.19 ? 136 VAL D N 1 ? ? +13781 ATOM N N B VAL D 4 126 ? 6.555 -67.755 -15.986 0.60 59.42 ? 136 VAL D N 1 ? ? +13782 ATOM C CA A VAL D 4 126 ? 7.949 -68.013 -15.679 0.40 59.12 ? 136 VAL D CA 1 ? ? +13783 ATOM C CA B VAL D 4 126 ? 7.948 -68.027 -15.681 0.60 59.52 ? 136 VAL D CA 1 ? ? +13784 ATOM C C A VAL D 4 126 ? 8.440 -67.190 -14.489 0.40 58.88 ? 136 VAL D C 1 ? ? +13785 ATOM C C B VAL D 4 126 ? 8.440 -67.206 -14.489 0.60 59.37 ? 136 VAL D C 1 ? ? +13786 ATOM O O A VAL D 4 126 ? 9.349 -67.609 -13.774 0.40 59.25 ? 136 VAL D O 1 ? ? +13787 ATOM O O B VAL D 4 126 ? 9.350 -67.629 -13.779 0.60 59.81 ? 136 VAL D O 1 ? ? +13788 ATOM C CB A VAL D 4 126 ? 8.777 -67.762 -16.943 0.40 58.62 ? 136 VAL D CB 1 ? ? +13789 ATOM C CB B VAL D 4 126 ? 8.780 -67.796 -16.953 0.60 59.12 ? 136 VAL D CB 1 ? ? +13790 ATOM C CG1 A VAL D 4 126 ? 10.241 -67.543 -16.610 0.40 58.54 ? 136 VAL D CG1 1 ? ? +13791 ATOM C CG1 B VAL D 4 126 ? 10.256 -67.632 -16.640 0.60 59.16 ? 136 VAL D CG1 1 ? ? +13792 ATOM C CG2 A VAL D 4 126 ? 8.589 -68.905 -17.934 0.40 58.99 ? 136 VAL D CG2 1 ? ? +13793 ATOM C CG2 B VAL D 4 126 ? 8.551 -68.930 -17.948 0.60 59.49 ? 136 VAL D CG2 1 ? ? +13794 ATOM N N A GLY D 4 127 ? 7.830 -66.019 -14.278 0.40 58.29 ? 137 GLY D N 1 ? ? +13795 ATOM N N B GLY D 4 127 ? 7.833 -66.034 -14.274 0.60 58.89 ? 137 GLY D N 1 ? ? +13796 ATOM C CA A GLY D 4 127 ? 8.122 -65.198 -13.113 0.40 58.11 ? 137 GLY D CA 1 ? ? +13797 ATOM C CA B GLY D 4 127 ? 8.136 -65.204 -13.119 0.60 58.81 ? 137 GLY D CA 1 ? ? +13798 ATOM C C A GLY D 4 127 ? 9.181 -64.119 -13.337 0.40 57.42 ? 137 GLY D C 1 ? ? +13799 ATOM C C B GLY D 4 127 ? 9.262 -64.197 -13.359 0.60 58.30 ? 137 GLY D C 1 ? ? +13800 ATOM O O A GLY D 4 127 ? 9.882 -63.729 -12.403 0.40 57.47 ? 137 GLY D O 1 ? ? +13801 ATOM O O B GLY D 4 127 ? 10.106 -63.981 -12.487 0.60 58.46 ? 137 GLY D O 1 ? ? +13802 ATOM N N A VAL D 4 128 ? 9.287 -63.632 -14.578 0.40 56.74 ? 138 VAL D N 1 ? ? +13803 ATOM N N B VAL D 4 128 ? 9.258 -63.583 -14.550 0.60 57.66 ? 138 VAL D N 1 ? ? +13804 ATOM C CA A VAL D 4 128 ? 10.240 -62.585 -14.899 0.40 56.03 ? 138 VAL D CA 1 ? ? +13805 ATOM C CA B VAL D 4 128 ? 10.224 -62.555 -14.898 0.60 57.01 ? 138 VAL D CA 1 ? ? +13806 ATOM C C A VAL D 4 128 ? 9.504 -61.253 -15.022 0.40 55.40 ? 138 VAL D C 1 ? ? +13807 ATOM C C B VAL D 4 128 ? 9.500 -61.229 -15.101 0.60 56.42 ? 138 VAL D C 1 ? ? +13808 ATOM O O A VAL D 4 128 ? 8.282 -61.207 -14.925 0.40 55.55 ? 138 VAL D O 1 ? ? +13809 ATOM O O B VAL D 4 128 ? 8.278 -61.191 -15.194 0.60 56.56 ? 138 VAL D O 1 ? ? +13810 ATOM C CB A VAL D 4 128 ? 11.054 -62.921 -16.170 0.40 55.78 ? 138 VAL D CB 1 ? ? +13811 ATOM C CB B VAL D 4 128 ? 11.065 -62.936 -16.139 0.60 56.79 ? 138 VAL D CB 1 ? ? +13812 ATOM C CG1 A VAL D 4 128 ? 11.967 -64.114 -15.930 0.40 56.34 ? 138 VAL D CG1 1 ? ? +13813 ATOM C CG1 B VAL D 4 128 ? 11.916 -64.164 -15.864 0.60 57.37 ? 138 VAL D CG1 1 ? ? +13814 ATOM C CG2 A VAL D 4 128 ? 10.152 -63.161 -17.369 0.40 55.68 ? 138 VAL D CG2 1 ? ? +13815 ATOM C CG2 B VAL D 4 128 ? 10.201 -63.145 -17.368 0.60 56.63 ? 138 VAL D CG2 1 ? ? +13816 ATOM N N A ARG D 4 129 ? 10.266 -60.170 -15.204 0.40 54.75 ? 139 ARG D N 1 ? ? +13817 ATOM N N B ARG D 4 129 ? 10.269 -60.140 -15.168 0.60 55.81 ? 139 ARG D N 1 ? ? +13818 ATOM C CA A ARG D 4 129 ? 9.692 -58.844 -15.348 0.40 54.16 ? 139 ARG D CA 1 ? ? +13819 ATOM C CA B ARG D 4 129 ? 9.698 -58.818 -15.352 0.60 55.21 ? 139 ARG D CA 1 ? ? +13820 ATOM C C A ARG D 4 129 ? 9.364 -58.625 -16.822 0.40 53.44 ? 139 ARG D C 1 ? ? +13821 ATOM C C B ARG D 4 129 ? 9.336 -58.653 -16.825 0.60 54.33 ? 139 ARG D C 1 ? ? +13822 ATOM O O A ARG D 4 129 ? 10.063 -59.112 -17.707 0.40 53.34 ? 139 ARG D O 1 ? ? +13823 ATOM O O B ARG D 4 129 ? 10.004 -59.187 -17.708 0.60 54.21 ? 139 ARG D O 1 ? ? +13824 ATOM C CB A ARG D 4 129 ? 10.649 -57.775 -14.804 0.40 54.04 ? 139 ARG D CB 1 ? ? +13825 ATOM C CB B ARG D 4 129 ? 10.662 -57.733 -14.874 0.60 55.29 ? 139 ARG D CB 1 ? ? +13826 ATOM C CG A ARG D 4 129 ? 11.201 -58.139 -13.428 0.40 54.77 ? 139 ARG D CG 1 ? ? +13827 ATOM C CG B ARG D 4 129 ? 11.113 -57.944 -13.443 0.60 56.24 ? 139 ARG D CG 1 ? ? +13828 ATOM C CD A ARG D 4 129 ? 12.522 -57.442 -13.094 0.40 54.81 ? 139 ARG D CD 1 ? ? +13829 ATOM C CD B ARG D 4 129 ? 12.466 -57.296 -13.142 0.60 56.58 ? 139 ARG D CD 1 ? ? +13830 ATOM N NE A ARG D 4 129 ? 12.333 -56.091 -12.580 0.40 54.61 ? 139 ARG D NE 1 ? ? +13831 ATOM N NE B ARG D 4 129 ? 12.340 -55.897 -12.749 0.60 56.51 ? 139 ARG D NE 1 ? ? +13832 ATOM C CZ A ARG D 4 129 ? 13.088 -55.053 -12.907 0.40 54.33 ? 139 ARG D CZ 1 ? ? +13833 ATOM C CZ B ARG D 4 129 ? 13.240 -54.954 -13.003 0.60 56.52 ? 139 ARG D CZ 1 ? ? +13834 ATOM N NH1 A ARG D 4 129 ? 14.099 -55.173 -13.753 0.40 54.23 ? 139 ARG D NH1 1 ? ? +13835 ATOM N NH1 B ARG D 4 129 ? 14.275 -55.177 -13.796 0.60 56.56 ? 139 ARG D NH1 1 ? ? +13836 ATOM N NH2 A ARG D 4 129 ? 12.831 -53.866 -12.364 0.40 54.16 ? 139 ARG D NH2 1 ? ? +13837 ATOM N NH2 B ARG D 4 129 ? 13.097 -53.754 -12.446 0.60 56.53 ? 139 ARG D NH2 1 ? ? +13838 ATOM N N A PRO D 4 130 ? 8.254 -57.925 -17.132 0.40 52.88 ? 140 PRO D N 1 ? ? +13839 ATOM N N B PRO D 4 130 ? 8.230 -57.943 -17.137 0.60 53.63 ? 140 PRO D N 1 ? ? +13840 ATOM C CA A PRO D 4 130 ? 7.768 -57.835 -18.509 0.40 52.39 ? 140 PRO D CA 1 ? ? +13841 ATOM C CA B PRO D 4 130 ? 7.748 -57.835 -18.514 0.60 53.03 ? 140 PRO D CA 1 ? ? +13842 ATOM C C A PRO D 4 130 ? 8.425 -56.762 -19.374 0.40 51.48 ? 140 PRO D C 1 ? ? +13843 ATOM C C B PRO D 4 130 ? 8.420 -56.770 -19.380 0.60 52.02 ? 140 PRO D C 1 ? ? +13844 ATOM O O A PRO D 4 130 ? 7.750 -56.088 -20.148 0.40 51.09 ? 140 PRO D O 1 ? ? +13845 ATOM O O B PRO D 4 130 ? 7.751 -56.099 -20.160 0.60 51.58 ? 140 PRO D O 1 ? ? +13846 ATOM C CB A PRO D 4 130 ? 6.288 -57.530 -18.300 0.40 52.51 ? 140 PRO D CB 1 ? ? +13847 ATOM C CB B PRO D 4 130 ? 6.271 -57.519 -18.289 0.60 53.14 ? 140 PRO D CB 1 ? ? +13848 ATOM C CG A PRO D 4 130 ? 6.264 -56.719 -17.032 0.40 52.49 ? 140 PRO D CG 1 ? ? +13849 ATOM C CG B PRO D 4 130 ? 6.265 -56.702 -17.037 0.60 53.14 ? 140 PRO D CG 1 ? ? +13850 ATOM C CD A PRO D 4 130 ? 7.375 -57.243 -16.166 0.40 52.83 ? 140 PRO D CD 1 ? ? +13851 ATOM C CD B PRO D 4 130 ? 7.340 -57.273 -16.172 0.60 53.54 ? 140 PRO D CD 1 ? ? +13852 ATOM N N A TYR D 4 131 ? 9.750 -56.618 -19.260 0.40 51.08 ? 141 TYR D N 1 ? ? +13853 ATOM N N B TYR D 4 131 ? 9.748 -56.636 -19.278 0.60 51.55 ? 141 TYR D N 1 ? ? +13854 ATOM C CA A TYR D 4 131 ? 10.445 -55.580 -20.005 0.40 50.29 ? 141 TYR D CA 1 ? ? +13855 ATOM C CA B TYR D 4 131 ? 10.445 -55.597 -20.023 0.60 50.69 ? 141 TYR D CA 1 ? ? +13856 ATOM C C A TYR D 4 131 ? 10.513 -55.876 -21.500 0.40 49.90 ? 141 TYR D C 1 ? ? +13857 ATOM C C B TYR D 4 131 ? 10.531 -55.890 -21.517 0.60 50.17 ? 141 TYR D C 1 ? ? +13858 ATOM O O A TYR D 4 131 ? 10.595 -54.957 -22.310 0.40 49.33 ? 141 TYR D O 1 ? ? +13859 ATOM O O B TYR D 4 131 ? 10.594 -54.968 -22.325 0.60 49.54 ? 141 TYR D O 1 ? ? +13860 ATOM C CB A TYR D 4 131 ? 11.852 -55.337 -19.453 0.40 50.25 ? 141 TYR D CB 1 ? ? +13861 ATOM C CB B TYR D 4 131 ? 11.844 -55.316 -19.443 0.60 50.75 ? 141 TYR D CB 1 ? ? +13862 ATOM C CG A TYR D 4 131 ? 11.837 -54.487 -18.210 0.40 50.26 ? 141 TYR D CG 1 ? ? +13863 ATOM C CG B TYR D 4 131 ? 11.745 -54.473 -18.202 0.60 50.87 ? 141 TYR D CG 1 ? ? +13864 ATOM C CD1 A TYR D 4 131 ? 11.720 -55.061 -16.957 0.40 50.83 ? 141 TYR D CD1 1 ? ? +13865 ATOM C CD1 B TYR D 4 131 ? 11.501 -55.050 -16.971 0.60 51.57 ? 141 TYR D CD1 1 ? ? +13866 ATOM C CD2 A TYR D 4 131 ? 11.877 -53.104 -18.290 0.40 49.82 ? 141 TYR D CD2 1 ? ? +13867 ATOM C CD2 B TYR D 4 131 ? 11.795 -53.088 -18.272 0.60 50.52 ? 141 TYR D CD2 1 ? ? +13868 ATOM C CE1 A TYR D 4 131 ? 11.684 -54.283 -15.808 0.40 50.85 ? 141 TYR D CE1 1 ? ? +13869 ATOM C CE1 B TYR D 4 131 ? 11.355 -54.277 -15.826 0.60 51.66 ? 141 TYR D CE1 1 ? ? +13870 ATOM C CE2 A TYR D 4 131 ? 11.835 -52.314 -17.149 0.40 49.84 ? 141 TYR D CE2 1 ? ? +13871 ATOM C CE2 B TYR D 4 131 ? 11.648 -52.301 -17.134 0.60 50.58 ? 141 TYR D CE2 1 ? ? +13872 ATOM C CZ A TYR D 4 131 ? 11.738 -52.909 -15.909 0.40 50.36 ? 141 TYR D CZ 1 ? ? +13873 ATOM C CZ B TYR D 4 131 ? 11.430 -52.903 -15.911 0.60 51.17 ? 141 TYR D CZ 1 ? ? +13874 ATOM O OH A TYR D 4 131 ? 11.695 -52.139 -14.774 0.40 50.51 ? 141 TYR D OH 1 ? ? +13875 ATOM O OH B TYR D 4 131 ? 11.273 -52.164 -14.767 0.60 51.46 ? 141 TYR D OH 1 ? ? +13876 ATOM N N A ASN D 4 132 ? 10.470 -57.158 -21.863 0.40 50.19 ? 142 ASN D N 1 ? ? +13877 ATOM N N B ASN D 4 132 ? 10.517 -57.173 -21.883 0.60 50.38 ? 142 ASN D N 1 ? ? +13878 ATOM C CA A ASN D 4 132 ? 10.471 -57.532 -23.265 0.40 50.01 ? 142 ASN D CA 1 ? ? +13879 ATOM C CA B ASN D 4 132 ? 10.484 -57.552 -23.284 0.60 50.16 ? 142 ASN D CA 1 ? ? +13880 ATOM C C A ASN D 4 132 ? 9.169 -57.064 -23.912 0.40 49.77 ? 142 ASN D C 1 ? ? +13881 ATOM C C B ASN D 4 132 ? 9.175 -57.094 -23.926 0.60 49.87 ? 142 ASN D C 1 ? ? +13882 ATOM O O A ASN D 4 132 ? 9.184 -56.546 -25.025 0.40 49.38 ? 142 ASN D O 1 ? ? +13883 ATOM O O B ASN D 4 132 ? 9.188 -56.597 -25.047 0.60 49.48 ? 142 ASN D O 1 ? ? +13884 ATOM C CB A ASN D 4 132 ? 10.695 -59.034 -23.436 0.40 50.56 ? 142 ASN D CB 1 ? ? +13885 ATOM C CB B ASN D 4 132 ? 10.713 -59.051 -23.441 0.60 50.71 ? 142 ASN D CB 1 ? ? +13886 ATOM C CG A ASN D 4 132 ? 10.869 -59.452 -24.876 0.40 50.52 ? 142 ASN D CG 1 ? ? +13887 ATOM C CG B ASN D 4 132 ? 10.822 -59.494 -24.883 0.60 50.71 ? 142 ASN D CG 1 ? ? +13888 ATOM O OD1 A ASN D 4 132 ? 11.646 -58.863 -25.625 0.40 50.20 ? 142 ASN D OD1 1 ? ? +13889 ATOM O OD1 B ASN D 4 132 ? 11.673 -59.030 -25.636 0.60 50.47 ? 142 ASN D OD1 1 ? ? +13890 ATOM N ND2 A ASN D 4 132 ? 10.140 -60.470 -25.310 0.40 50.94 ? 142 ASN D ND2 1 ? ? +13891 ATOM N ND2 B ASN D 4 132 ? 9.968 -60.405 -25.317 0.60 51.13 ? 142 ASN D ND2 1 ? ? +13892 ATOM N N A ALA D 4 133 ? 8.045 -57.227 -23.203 0.40 50.03 ? 143 ALA D N 1 ? ? +13893 ATOM N N B ALA D 4 133 ? 8.051 -57.237 -23.210 0.60 50.09 ? 143 ALA D N 1 ? ? +13894 ATOM C CA A ALA D 4 133 ? 6.759 -56.770 -23.709 0.40 49.92 ? 143 ALA D CA 1 ? ? +13895 ATOM C CA B ALA D 4 133 ? 6.765 -56.760 -23.708 0.60 49.96 ? 143 ALA D CA 1 ? ? +13896 ATOM C C A ALA D 4 133 ? 6.777 -55.252 -23.858 0.40 49.34 ? 143 ALA D C 1 ? ? +13897 ATOM C C B ALA D 4 133 ? 6.770 -55.241 -23.850 0.60 49.37 ? 143 ALA D C 1 ? ? +13898 ATOM O O A ALA D 4 133 ? 6.351 -54.705 -24.869 0.40 49.07 ? 143 ALA D O 1 ? ? +13899 ATOM O O B ALA D 4 133 ? 6.326 -54.698 -24.857 0.60 49.10 ? 143 ALA D O 1 ? ? +13900 ATOM C CB A ALA D 4 133 ? 5.627 -57.197 -22.789 0.40 50.37 ? 143 ALA D CB 1 ? ? +13901 ATOM C CB B ALA D 4 133 ? 5.627 -57.194 -22.793 0.60 50.40 ? 143 ALA D CB 1 ? ? +13902 ATOM N N A ILE D 4 134 ? 7.296 -54.575 -22.837 0.40 49.22 ? 144 ILE D N 1 ? ? +13903 ATOM N N B ILE D 4 134 ? 7.291 -54.558 -22.831 0.60 49.25 ? 144 ILE D N 1 ? ? +13904 ATOM C CA A ILE D 4 134 ? 7.381 -53.128 -22.857 0.40 48.75 ? 144 ILE D CA 1 ? ? +13905 ATOM C CA B ILE D 4 134 ? 7.392 -53.111 -22.858 0.60 48.78 ? 144 ILE D CA 1 ? ? +13906 ATOM C C A ILE D 4 134 ? 8.175 -52.626 -24.059 0.40 48.35 ? 144 ILE D C 1 ? ? +13907 ATOM C C B ILE D 4 134 ? 8.192 -52.632 -24.065 0.60 48.40 ? 144 ILE D C 1 ? ? +13908 ATOM O O A ILE D 4 134 ? 7.761 -51.687 -24.733 0.40 47.98 ? 144 ILE D O 1 ? ? +13909 ATOM O O B ILE D 4 134 ? 7.788 -51.695 -24.750 0.60 48.02 ? 144 ILE D O 1 ? ? +13910 ATOM C CB A ILE D 4 134 ? 7.979 -52.679 -21.517 0.40 48.82 ? 144 ILE D CB 1 ? ? +13911 ATOM C CB B ILE D 4 134 ? 7.997 -52.625 -21.524 0.60 48.85 ? 144 ILE D CB 1 ? ? +13912 ATOM C CG1 A ILE D 4 134 ? 6.973 -52.970 -20.383 0.40 49.30 ? 144 ILE D CG1 1 ? ? +13913 ATOM C CG1 B ILE D 4 134 ? 6.980 -52.821 -20.378 0.60 49.33 ? 144 ILE D CG1 1 ? ? +13914 ATOM C CG2 A ILE D 4 134 ? 8.396 -51.219 -21.558 0.40 48.27 ? 144 ILE D CG2 1 ? ? +13915 ATOM C CG2 B ILE D 4 134 ? 8.466 -51.176 -21.614 0.60 48.30 ? 144 ILE D CG2 1 ? ? +13916 ATOM C CD1 A ILE D 4 134 ? 7.509 -52.763 -19.004 0.40 49.46 ? 144 ILE D CD1 1 ? ? +13917 ATOM C CD1 B ILE D 4 134 ? 7.560 -52.641 -18.997 0.60 49.49 ? 144 ILE D CD1 1 ? ? +13918 ATOM N N A ALA D 4 135 ? 9.325 -53.263 -24.316 0.40 48.46 ? 145 ALA D N 1 ? ? +13919 ATOM N N B ALA D 4 135 ? 9.337 -53.284 -24.315 0.60 48.53 ? 145 ALA D N 1 ? ? +13920 ATOM C CA A ALA D 4 135 ? 10.180 -52.888 -25.429 0.40 48.07 ? 145 ALA D CA 1 ? ? +13921 ATOM C CA B ALA D 4 135 ? 10.192 -52.934 -25.436 0.60 48.14 ? 145 ALA D CA 1 ? ? +13922 ATOM C C A ALA D 4 135 ? 9.484 -53.120 -26.767 0.40 48.02 ? 145 ALA D C 1 ? ? +13923 ATOM C C B ALA D 4 135 ? 9.488 -53.153 -26.772 0.60 48.07 ? 145 ALA D C 1 ? ? +13924 ATOM O O A ALA D 4 135 ? 9.797 -52.465 -27.760 0.40 47.66 ? 145 ALA D O 1 ? ? +13925 ATOM O O B ALA D 4 135 ? 9.798 -52.484 -27.758 0.60 47.71 ? 145 ALA D O 1 ? ? +13926 ATOM C CB A ALA D 4 135 ? 11.474 -53.672 -25.383 0.40 48.28 ? 145 ALA D CB 1 ? ? +13927 ATOM C CB B ALA D 4 135 ? 11.467 -53.747 -25.392 0.60 48.36 ? 145 ALA D CB 1 ? ? +13928 ATOM N N A PHE D 4 136 ? 8.542 -54.066 -26.789 0.40 48.37 ? 146 PHE D N 1 ? ? +13929 ATOM N N B PHE D 4 136 ? 8.542 -54.097 -26.800 0.60 48.40 ? 146 PHE D N 1 ? ? +13930 ATOM C CA A PHE D 4 136 ? 7.878 -54.420 -28.032 0.40 48.41 ? 146 PHE D CA 1 ? ? +13931 ATOM C CA B PHE D 4 136 ? 7.858 -54.436 -28.035 0.60 48.44 ? 146 PHE D CA 1 ? ? +13932 ATOM C C A PHE D 4 136 ? 6.859 -53.354 -28.432 0.40 48.08 ? 146 PHE D C 1 ? ? +13933 ATOM C C B PHE D 4 136 ? 6.838 -53.369 -28.425 0.60 48.09 ? 146 PHE D C 1 ? ? +13934 ATOM O O A PHE D 4 136 ? 6.415 -53.323 -29.578 0.40 47.98 ? 146 PHE D O 1 ? ? +13935 ATOM O O B PHE D 4 136 ? 6.380 -53.342 -29.564 0.60 47.98 ? 146 PHE D O 1 ? ? +13936 ATOM C CB A PHE D 4 136 ? 7.217 -55.796 -27.928 0.40 49.03 ? 146 PHE D CB 1 ? ? +13937 ATOM C CB B PHE D 4 136 ? 7.190 -55.804 -27.921 0.60 49.07 ? 146 PHE D CB 1 ? ? +13938 ATOM C CG A PHE D 4 136 ? 6.754 -56.354 -29.255 0.40 49.17 ? 146 PHE D CG 1 ? ? +13939 ATOM C CG B PHE D 4 136 ? 6.740 -56.366 -29.248 0.60 49.24 ? 146 PHE D CG 1 ? ? +13940 ATOM C CD1 A PHE D 4 136 ? 7.665 -56.683 -30.242 0.40 49.10 ? 146 PHE D CD1 1 ? ? +13941 ATOM C CD1 B PHE D 4 136 ? 7.661 -56.693 -30.227 0.60 49.15 ? 146 PHE D CD1 1 ? ? +13942 ATOM C CD2 A PHE D 4 136 ? 5.406 -56.544 -29.514 0.40 49.45 ? 146 PHE D CD2 1 ? ? +13943 ATOM C CD2 B PHE D 4 136 ? 5.393 -56.555 -29.520 0.60 49.52 ? 146 PHE D CD2 1 ? ? +13944 ATOM C CE1 A PHE D 4 136 ? 7.239 -57.192 -31.460 0.40 49.22 ? 146 PHE D CE1 1 ? ? +13945 ATOM C CE1 B PHE D 4 136 ? 7.247 -57.204 -31.450 0.60 49.27 ? 146 PHE D CE1 1 ? ? +13946 ATOM C CE2 A PHE D 4 136 ? 4.986 -57.053 -30.734 0.40 49.58 ? 146 PHE D CE2 1 ? ? +13947 ATOM C CE2 B PHE D 4 136 ? 4.985 -57.061 -30.745 0.60 49.65 ? 146 PHE D CE2 1 ? ? +13948 ATOM C CZ A PHE D 4 136 ? 5.907 -57.373 -31.699 0.40 49.45 ? 146 PHE D CZ 1 ? ? +13949 ATOM C CZ B PHE D 4 136 ? 5.918 -57.381 -31.704 0.60 49.52 ? 146 PHE D CZ 1 ? ? +13950 ATOM N N . SER D 4 137 ? 6.518 -52.472 -27.485 1.00 47.92 ? 147 SER D N 1 ? ? +13951 ATOM C CA . SER D 4 137 ? 5.623 -51.357 -27.758 1.00 47.66 ? 147 SER D CA 1 ? ? +13952 ATOM C CB . SER D 4 137 ? 5.410 -50.503 -26.517 1.00 47.60 ? 147 SER D CB 1 ? ? +13953 ATOM O OG . SER D 4 137 ? 6.580 -49.763 -26.217 1.00 47.40 ? 147 SER D OG 1 ? ? +13954 ATOM C C . SER D 4 137 ? 6.115 -50.453 -28.883 1.00 47.21 ? 147 SER D C 1 ? ? +13955 ATOM O O . SER D 4 137 ? 5.303 -49.808 -29.549 1.00 47.09 ? 147 SER D O 1 ? ? +13956 ATOM N N A ALA D 4 138 ? 7.440 -50.416 -29.081 0.40 46.98 ? 148 ALA D N 1 ? ? +13957 ATOM N N B ALA D 4 138 ? 7.442 -50.411 -29.078 0.60 46.96 ? 148 ALA D N 1 ? ? +13958 ATOM C CA A ALA D 4 138 ? 8.047 -49.592 -30.110 0.40 46.54 ? 148 ALA D CA 1 ? ? +13959 ATOM C CA B ALA D 4 138 ? 8.045 -49.589 -30.112 0.60 46.52 ? 148 ALA D CA 1 ? ? +13960 ATOM C C A ALA D 4 138 ? 7.682 -50.079 -31.511 0.40 46.60 ? 148 ALA D C 1 ? ? +13961 ATOM C C B ALA D 4 138 ? 7.682 -50.082 -31.512 0.60 46.58 ? 148 ALA D C 1 ? ? +13962 ATOM O O A ALA D 4 138 ? 7.176 -49.304 -32.315 0.40 46.39 ? 148 ALA D O 1 ? ? +13963 ATOM O O B ALA D 4 138 ? 7.177 -49.305 -32.315 0.60 46.37 ? 148 ALA D O 1 ? ? +13964 ATOM C CB A ALA D 4 138 ? 9.560 -49.558 -29.931 0.40 46.41 ? 148 ALA D CB 1 ? ? +13965 ATOM C CB B ALA D 4 138 ? 9.562 -49.533 -29.932 0.60 46.39 ? 148 ALA D CB 1 ? ? +13966 ATOM N N A PRO D 4 139 ? 7.939 -51.360 -31.860 0.40 46.94 ? 149 PRO D N 1 ? ? +13967 ATOM N N B PRO D 4 139 ? 7.944 -51.361 -31.866 0.60 46.92 ? 149 PRO D N 1 ? ? +13968 ATOM C CA A PRO D 4 139 ? 7.476 -51.914 -33.134 0.40 47.12 ? 149 PRO D CA 1 ? ? +13969 ATOM C CA B PRO D 4 139 ? 7.476 -51.912 -33.138 0.60 47.11 ? 149 PRO D CA 1 ? ? +13970 ATOM C C A PRO D 4 139 ? 5.978 -51.727 -33.386 0.40 47.25 ? 149 PRO D C 1 ? ? +13971 ATOM C C B PRO D 4 139 ? 5.976 -51.727 -33.385 0.60 47.23 ? 149 PRO D C 1 ? ? +13972 ATOM O O A PRO D 4 139 ? 5.563 -51.461 -34.510 0.40 47.13 ? 149 PRO D O 1 ? ? +13973 ATOM O O B PRO D 4 139 ? 5.558 -51.459 -34.504 0.60 47.09 ? 149 PRO D O 1 ? ? +13974 ATOM C CB A PRO D 4 139 ? 7.838 -53.400 -33.018 0.40 47.55 ? 149 PRO D CB 1 ? ? +13975 ATOM C CB B PRO D 4 139 ? 7.840 -53.400 -33.032 0.60 47.54 ? 149 PRO D CB 1 ? ? +13976 ATOM C CG A PRO D 4 139 ? 8.947 -53.458 -32.037 0.40 47.51 ? 149 PRO D CG 1 ? ? +13977 ATOM C CG B PRO D 4 139 ? 8.927 -53.476 -32.050 0.60 47.51 ? 149 PRO D CG 1 ? ? +13978 ATOM C CD A PRO D 4 139 ? 8.721 -52.325 -31.071 0.40 47.25 ? 149 PRO D CD 1 ? ? +13979 ATOM C CD B PRO D 4 139 ? 8.749 -52.324 -31.098 0.60 47.24 ? 149 PRO D CD 1 ? ? +13980 ATOM N N . ILE D 4 140 ? 5.167 -51.877 -32.338 1.00 47.52 ? 150 ILE D N 1 ? ? +13981 ATOM C CA . ILE D 4 140 ? 3.732 -51.672 -32.461 1.00 47.87 ? 150 ILE D CA 1 ? ? +13982 ATOM C CB . ILE D 4 140 ? 2.950 -52.125 -31.210 1.00 48.37 ? 150 ILE D CB 1 ? ? +13983 ATOM C CG1 . ILE D 4 140 ? 3.058 -53.647 -31.080 1.00 48.93 ? 150 ILE D CG1 1 ? ? +13984 ATOM C CG2 . ILE D 4 140 ? 1.483 -51.648 -31.289 1.00 48.61 ? 150 ILE D CG2 1 ? ? +13985 ATOM C CD1 . ILE D 4 140 ? 2.326 -54.212 -30.024 1.00 49.44 ? 150 ILE D CD1 1 ? ? +13986 ATOM C C . ILE D 4 140 ? 3.429 -50.219 -32.819 1.00 47.47 ? 150 ILE D C 1 ? ? +13987 ATOM O O . ILE D 4 140 ? 2.664 -49.944 -33.747 1.00 47.58 ? 150 ILE D O 1 ? ? +13988 ATOM N N . ALA D 4 141 ? 4.040 -49.292 -32.079 1.00 47.01 ? 151 ALA D N 1 ? ? +13989 ATOM C CA . ALA D 4 141 ? 3.864 -47.879 -32.360 1.00 46.53 ? 151 ALA D CA 1 ? ? +13990 ATOM C CB . ALA D 4 141 ? 4.710 -47.045 -31.419 1.00 46.25 ? 151 ALA D CB 1 ? ? +13991 ATOM C C . ALA D 4 141 ? 4.215 -47.556 -33.809 1.00 46.23 ? 151 ALA D C 1 ? ? +13992 ATOM O O . ALA D 4 141 ? 3.540 -46.754 -34.450 1.00 46.18 ? 151 ALA D O 1 ? ? +13993 ATOM N N . VAL D 4 142 ? 5.291 -48.164 -34.320 1.00 45.99 ? 152 VAL D N 1 ? ? +13994 ATOM C CA . VAL D 4 142 ? 5.695 -47.922 -35.694 1.00 45.62 ? 152 VAL D CA 1 ? ? +13995 ATOM C CB . VAL D 4 142 ? 7.076 -48.511 -36.011 1.00 45.56 ? 152 VAL D CB 1 ? ? +13996 ATOM C CG1 . VAL D 4 142 ? 7.352 -48.482 -37.505 1.00 45.47 ? 152 VAL D CG1 1 ? ? +13997 ATOM C CG2 . VAL D 4 142 ? 8.167 -47.788 -35.236 1.00 45.27 ? 152 VAL D CG2 1 ? ? +13998 ATOM C C . VAL D 4 142 ? 4.647 -48.469 -36.656 1.00 45.73 ? 152 VAL D C 1 ? ? +13999 ATOM O O . VAL D 4 142 ? 4.197 -47.765 -37.546 1.00 45.52 ? 152 VAL D O 1 ? ? +14000 ATOM N N . PHE D 4 143 ? 4.305 -49.742 -36.505 1.00 46.11 ? 153 PHE D N 1 ? ? +14001 ATOM C CA . PHE D 4 143 ? 3.310 -50.352 -37.369 1.00 46.54 ? 153 PHE D CA 1 ? ? +14002 ATOM C CB . PHE D 4 143 ? 2.960 -51.763 -36.918 1.00 47.05 ? 153 PHE D CB 1 ? ? +14003 ATOM C CG . PHE D 4 143 ? 1.978 -52.403 -37.854 1.00 47.47 ? 153 PHE D CG 1 ? ? +14004 ATOM C CD1 . PHE D 4 143 ? 2.385 -52.884 -39.084 1.00 47.56 ? 153 PHE D CD1 1 ? ? +14005 ATOM C CD2 . PHE D 4 143 ? 0.635 -52.479 -37.525 1.00 47.82 ? 153 PHE D CD2 1 ? ? +14006 ATOM C CE1 . PHE D 4 143 ? 1.470 -53.460 -39.953 1.00 48.01 ? 153 PHE D CE1 1 ? ? +14007 ATOM C CE2 . PHE D 4 143 ? -0.285 -53.048 -38.400 1.00 48.21 ? 153 PHE D CE2 1 ? ? +14008 ATOM C CZ . PHE D 4 143 ? 0.128 -53.532 -39.607 1.00 48.30 ? 153 PHE D CZ 1 ? ? +14009 ATOM C C . PHE D 4 143 ? 2.029 -49.521 -37.420 1.00 46.46 ? 153 PHE D C 1 ? ? +14010 ATOM O O . PHE D 4 143 ? 1.516 -49.241 -38.497 1.00 46.39 ? 153 PHE D O 1 ? ? +14011 ATOM N N . VAL D 4 144 ? 1.555 -49.105 -36.246 1.00 46.51 ? 154 VAL D N 1 ? ? +14012 ATOM C CA . VAL D 4 144 ? 0.282 -48.412 -36.128 1.00 46.68 ? 154 VAL D CA 1 ? ? +14013 ATOM C CB . VAL D 4 144 ? -0.134 -48.319 -34.654 1.00 46.93 ? 154 VAL D CB 1 ? ? +14014 ATOM C CG1 . VAL D 4 144 ? -1.239 -47.289 -34.453 1.00 47.02 ? 154 VAL D CG1 1 ? ? +14015 ATOM C CG2 . VAL D 4 144 ? -0.565 -49.688 -34.145 1.00 47.50 ? 154 VAL D CG2 1 ? ? +14016 ATOM C C . VAL D 4 144 ? 0.323 -47.029 -36.768 1.00 46.17 ? 154 VAL D C 1 ? ? +14017 ATOM O O . VAL D 4 144 ? -0.620 -46.633 -37.456 1.00 46.24 ? 154 VAL D O 1 ? ? +14018 ATOM N N . SER D 4 145 ? 1.406 -46.289 -36.516 1.00 45.56 ? 155 SER D N 1 ? ? +14019 ATOM C CA . SER D 4 145 ? 1.519 -44.934 -37.021 1.00 45.07 ? 155 SER D CA 1 ? ? +14020 ATOM C CB . SER D 4 145 ? 2.689 -44.217 -36.353 1.00 44.84 ? 155 SER D CB 1 ? ? +14021 ATOM O OG . SER D 4 145 ? 3.941 -44.857 -36.584 1.00 44.89 ? 155 SER D OG 1 ? ? +14022 ATOM C C . SER D 4 145 ? 1.655 -44.916 -38.542 1.00 44.91 ? 155 SER D C 1 ? ? +14023 ATOM O O . SER D 4 145 ? 1.085 -44.053 -39.208 1.00 44.81 ? 155 SER D O 1 ? ? +14024 ATOM N N . VAL D 4 146 ? 2.378 -45.900 -39.085 1.00 44.86 ? 156 VAL D N 1 ? ? +14025 ATOM C CA . VAL D 4 146 ? 2.741 -45.907 -40.493 1.00 44.74 ? 156 VAL D CA 1 ? ? +14026 ATOM C CB . VAL D 4 146 ? 4.114 -46.617 -40.738 1.00 44.60 ? 156 VAL D CB 1 ? ? +14027 ATOM C CG1 . VAL D 4 146 ? 4.430 -46.714 -42.217 1.00 44.58 ? 156 VAL D CG1 1 ? ? +14028 ATOM C CG2 . VAL D 4 146 ? 5.241 -45.919 -40.003 1.00 44.25 ? 156 VAL D CG2 1 ? ? +14029 ATOM C C . VAL D 4 146 ? 1.664 -46.571 -41.339 1.00 45.08 ? 156 VAL D C 1 ? ? +14030 ATOM O O . VAL D 4 146 ? 1.334 -46.085 -42.412 1.00 45.02 ? 156 VAL D O 1 ? ? +14031 ATOM N N . PHE D 4 147 ? 1.176 -47.722 -40.882 1.00 45.51 ? 157 PHE D N 1 ? ? +14032 ATOM C CA . PHE D 4 147 ? 0.231 -48.498 -41.669 1.00 46.04 ? 157 PHE D CA 1 ? ? +14033 ATOM C CB . PHE D 4 147 ? 0.445 -49.991 -41.407 1.00 46.53 ? 157 PHE D CB 1 ? ? +14034 ATOM C CG . PHE D 4 147 ? 1.694 -50.505 -42.029 1.00 46.55 ? 157 PHE D CG 1 ? ? +14035 ATOM C CD2 . PHE D 4 147 ? 1.676 -51.051 -43.292 1.00 46.86 ? 157 PHE D CD2 1 ? ? +14036 ATOM C CD1 . PHE D 4 147 ? 2.899 -50.446 -41.352 1.00 46.39 ? 157 PHE D CD1 1 ? ? +14037 ATOM C CE2 . PHE D 4 147 ? 2.852 -51.528 -43.881 1.00 46.90 ? 157 PHE D CE2 1 ? ? +14038 ATOM C CE1 . PHE D 4 147 ? 4.066 -50.936 -41.934 1.00 46.43 ? 157 PHE D CE1 1 ? ? +14039 ATOM C CZ . PHE D 4 147 ? 4.038 -51.460 -43.201 1.00 46.66 ? 157 PHE D CZ 1 ? ? +14040 ATOM C C . PHE D 4 147 ? -1.244 -48.160 -41.434 1.00 46.12 ? 157 PHE D C 1 ? ? +14041 ATOM O O . PHE D 4 147 ? -2.080 -48.552 -42.237 1.00 46.45 ? 157 PHE D O 1 ? ? +14042 ATOM N N . LEU D 4 148 ? -1.553 -47.454 -40.340 1.00 45.86 ? 158 LEU D N 1 ? ? +14043 ATOM C CA . LEU D 4 148 ? -2.932 -47.113 -40.005 1.00 46.05 ? 158 LEU D CA 1 ? ? +14044 ATOM C CB . LEU D 4 148 ? -3.368 -47.848 -38.718 1.00 46.40 ? 158 LEU D CB 1 ? ? +14045 ATOM C CG . LEU D 4 148 ? -3.298 -49.383 -38.769 1.00 46.84 ? 158 LEU D CG 1 ? ? +14046 ATOM C CD1 . LEU D 4 148 ? -3.722 -49.996 -37.463 1.00 47.12 ? 158 LEU D CD1 1 ? ? +14047 ATOM C CD2 . LEU D 4 148 ? -4.161 -49.952 -39.864 1.00 47.28 ? 158 LEU D CD2 1 ? ? +14048 ATOM C C . LEU D 4 148 ? -3.162 -45.608 -39.848 1.00 45.54 ? 158 LEU D C 1 ? ? +14049 ATOM O O . LEU D 4 148 ? -3.961 -45.029 -40.574 1.00 45.60 ? 158 LEU D O 1 ? ? +14050 ATOM N N . ILE D 4 149 ? -2.437 -44.955 -38.933 1.00 44.99 ? 159 ILE D N 1 ? ? +14051 ATOM C CA . ILE D 4 149 ? -2.694 -43.551 -38.659 1.00 44.56 ? 159 ILE D CA 1 ? ? +14052 ATOM C CB . ILE D 4 149 ? -1.939 -43.052 -37.439 1.00 44.27 ? 159 ILE D CB 1 ? ? +14053 ATOM C CG1 . ILE D 4 149 ? -2.393 -43.797 -36.203 1.00 44.60 ? 159 ILE D CG1 1 ? ? +14054 ATOM C CG2 . ILE D 4 149 ? -2.065 -41.543 -37.265 1.00 43.96 ? 159 ILE D CG2 1 ? ? +14055 ATOM C CD1 . ILE D 4 149 ? -1.577 -43.555 -35.033 1.00 44.41 ? 159 ILE D CD1 1 ? ? +14056 ATOM C C . ILE D 4 149 ? -2.388 -42.714 -39.891 1.00 44.21 ? 159 ILE D C 1 ? ? +14057 ATOM O O . ILE D 4 149 ? -3.190 -41.864 -40.276 1.00 44.22 ? 159 ILE D O 1 ? ? +14058 ATOM N N . TYR D 4 150 ? -1.232 -42.973 -40.518 1.00 43.85 ? 160 TYR D N 1 ? ? +14059 ATOM C CA . TYR D 4 150 ? -0.794 -42.177 -41.653 1.00 43.48 ? 160 TYR D CA 1 ? ? +14060 ATOM C CB . TYR D 4 150 ? 0.586 -42.634 -42.196 1.00 43.19 ? 160 TYR D CB 1 ? ? +14061 ATOM C CG . TYR D 4 150 ? 0.947 -41.881 -43.447 1.00 42.93 ? 160 TYR D CG 1 ? ? +14062 ATOM C CD1 . TYR D 4 150 ? 1.241 -40.533 -43.405 1.00 42.58 ? 160 TYR D CD1 1 ? ? +14063 ATOM C CD2 . TYR D 4 150 ? 0.928 -42.498 -44.682 1.00 43.11 ? 160 TYR D CD2 1 ? ? +14064 ATOM C CE1 . TYR D 4 150 ? 1.549 -39.820 -44.563 1.00 42.44 ? 160 TYR D CE1 1 ? ? +14065 ATOM C CE2 . TYR D 4 150 ? 1.229 -41.796 -45.847 1.00 42.98 ? 160 TYR D CE2 1 ? ? +14066 ATOM C CZ . TYR D 4 150 ? 1.534 -40.455 -45.783 1.00 42.63 ? 160 TYR D CZ 1 ? ? +14067 ATOM O OH . TYR D 4 150 ? 1.824 -39.755 -46.927 1.00 42.55 ? 160 TYR D OH 1 ? ? +14068 ATOM C C . TYR D 4 150 ? -1.820 -42.149 -42.791 1.00 43.74 ? 160 TYR D C 1 ? ? +14069 ATOM O O . TYR D 4 150 ? -2.195 -41.078 -43.238 1.00 43.60 ? 160 TYR D O 1 ? ? +14070 ATOM N N . PRO D 4 151 ? -2.256 -43.294 -43.350 1.00 44.13 ? 161 PRO D N 1 ? ? +14071 ATOM C CA . PRO D 4 151 ? -3.299 -43.278 -44.373 1.00 44.51 ? 161 PRO D CA 1 ? ? +14072 ATOM C CB . PRO D 4 151 ? -3.394 -44.752 -44.795 1.00 44.91 ? 161 PRO D CB 1 ? ? +14073 ATOM C CG . PRO D 4 151 ? -2.894 -45.531 -43.625 1.00 44.88 ? 161 PRO D CG 1 ? ? +14074 ATOM C CD . PRO D 4 151 ? -1.794 -44.657 -43.038 1.00 44.34 ? 161 PRO D CD 1 ? ? +14075 ATOM C C . PRO D 4 151 ? -4.657 -42.740 -43.905 1.00 44.74 ? 161 PRO D C 1 ? ? +14076 ATOM O O . PRO D 4 151 ? -5.385 -42.159 -44.705 1.00 44.89 ? 161 PRO D O 1 ? ? +14077 ATOM N N . LEU D 4 152 ? -4.992 -42.926 -42.621 1.00 44.82 ? 162 LEU D N 1 ? ? +14078 ATOM C CA . LEU D 4 152 ? -6.249 -42.425 -42.066 1.00 45.06 ? 162 LEU D CA 1 ? ? +14079 ATOM C CB . LEU D 4 152 ? -6.469 -42.959 -40.657 1.00 45.18 ? 162 LEU D CB 1 ? ? +14080 ATOM C CG . LEU D 4 152 ? -6.963 -44.405 -40.590 1.00 45.71 ? 162 LEU D CG 1 ? ? +14081 ATOM C CD1 . LEU D 4 152 ? -6.813 -44.963 -39.187 1.00 45.77 ? 162 LEU D CD1 1 ? ? +14082 ATOM C CD2 . LEU D 4 152 ? -8.432 -44.523 -41.032 1.00 46.25 ? 162 LEU D CD2 1 ? ? +14083 ATOM C C . LEU D 4 152 ? -6.277 -40.901 -42.046 1.00 44.75 ? 162 LEU D C 1 ? ? +14084 ATOM O O . LEU D 4 152 ? -7.335 -40.281 -42.121 1.00 44.93 ? 162 LEU D O 1 ? ? +14085 ATOM N N . GLY D 4 153 ? -5.090 -40.297 -41.984 1.00 44.28 ? 163 GLY D N 1 ? ? +14086 ATOM C CA . GLY D 4 153 ? -4.977 -38.854 -42.083 1.00 43.99 ? 163 GLY D CA 1 ? ? +14087 ATOM C C . GLY D 4 153 ? -5.066 -38.360 -43.520 1.00 44.07 ? 163 GLY D C 1 ? ? +14088 ATOM O O . GLY D 4 153 ? -5.465 -37.229 -43.750 1.00 44.02 ? 163 GLY D O 1 ? ? +14089 ATOM N N . GLN D 4 154 ? -4.674 -39.219 -44.467 1.00 44.24 ? 164 GLN D N 1 ? ? +14090 ATOM C CA . GLN D 4 154 ? -4.645 -38.887 -45.880 1.00 44.37 ? 164 GLN D CA 1 ? ? +14091 ATOM C CB . GLN D 4 154 ? -3.486 -39.640 -46.564 1.00 44.28 ? 164 GLN D CB 1 ? ? +14092 ATOM C CG . GLN D 4 154 ? -2.075 -39.222 -46.069 1.00 43.84 ? 164 GLN D CG 1 ? ? +14093 ATOM C CD . GLN D 4 154 ? -1.759 -37.791 -46.380 1.00 43.59 ? 164 GLN D CD 1 ? ? +14094 ATOM O OE1 . GLN D 4 154 ? -2.259 -37.172 -47.327 1.00 43.75 ? 164 GLN D OE1 1 ? ? +14095 ATOM N NE2 . GLN D 4 154 ? -0.907 -37.194 -45.581 1.00 43.29 ? 164 GLN D NE2 1 ? ? +14096 ATOM C C . GLN D 4 154 ? -6.009 -39.223 -46.487 1.00 44.95 ? 164 GLN D C 1 ? ? +14097 ATOM O O . GLN D 4 154 ? -6.959 -39.452 -45.757 1.00 45.22 ? 164 GLN D O 1 ? ? +14098 ATOM N N . SER D 4 155 ? -6.097 -39.258 -47.820 1.00 45.19 ? 165 SER D N 1 ? ? +14099 ATOM C CA . SER D 4 155 ? -7.368 -39.356 -48.512 1.00 45.76 ? 165 SER D CA 1 ? ? +14100 ATOM C CB . SER D 4 155 ? -7.215 -38.902 -49.958 1.00 45.81 ? 165 SER D CB 1 ? ? +14101 ATOM O OG . SER D 4 155 ? -6.358 -39.791 -50.667 1.00 45.82 ? 165 SER D OG 1 ? ? +14102 ATOM C C . SER D 4 155 ? -7.941 -40.769 -48.479 1.00 46.30 ? 165 SER D C 1 ? ? +14103 ATOM O O . SER D 4 155 ? -9.154 -40.940 -48.521 1.00 46.89 ? 165 SER D O 1 ? ? +14104 ATOM N N . SER D 4 156 ? -7.059 -41.772 -48.414 1.00 46.22 ? 166 SER D N 1 ? ? +14105 ATOM C CA . SER D 4 156 ? -7.445 -43.169 -48.508 1.00 46.64 ? 166 SER D CA 1 ? ? +14106 ATOM C CB . SER D 4 156 ? -7.866 -43.497 -49.921 1.00 47.04 ? 166 SER D CB 1 ? ? +14107 ATOM O OG . SER D 4 156 ? -6.732 -43.500 -50.765 1.00 46.81 ? 166 SER D OG 1 ? ? +14108 ATOM C C . SER D 4 156 ? -6.299 -44.108 -48.144 1.00 46.43 ? 166 SER D C 1 ? ? +14109 ATOM O O . SER D 4 156 ? -5.163 -43.669 -47.975 1.00 45.94 ? 166 SER D O 1 ? ? +14110 ATOM N N . TRP D 4 157 ? -6.616 -45.410 -48.064 1.00 46.80 ? 167 TRP D N 1 ? ? +14111 ATOM C CA . TRP D 4 157 ? -5.599 -46.428 -47.843 1.00 46.65 ? 167 TRP D CA 1 ? ? +14112 ATOM C CB . TRP D 4 157 ? -6.205 -47.820 -47.786 1.00 47.14 ? 167 TRP D CB 1 ? ? +14113 ATOM C CG . TRP D 4 157 ? -7.176 -48.093 -46.688 1.00 47.39 ? 167 TRP D CG 1 ? ? +14114 ATOM C CD1 . TRP D 4 157 ? -8.442 -48.580 -46.831 1.00 47.92 ? 167 TRP D CD1 1 ? ? +14115 ATOM N NE1 . TRP D 4 157 ? -9.017 -48.754 -45.606 1.00 48.05 ? 167 TRP D NE1 1 ? ? +14116 ATOM C CE2 . TRP D 4 157 ? -8.131 -48.376 -44.633 1.00 47.56 ? 167 TRP D CE2 1 ? ? +14117 ATOM C CZ2 . TRP D 4 157 ? -8.263 -48.374 -43.247 1.00 47.52 ? 167 TRP D CZ2 1 ? ? +14118 ATOM C CH2 . TRP D 4 157 ? -7.186 -47.964 -42.515 1.00 47.02 ? 167 TRP D CH2 1 ? ? +14119 ATOM C CZ3 . TRP D 4 157 ? -5.996 -47.557 -43.130 1.00 46.57 ? 167 TRP D CZ3 1 ? ? +14120 ATOM C CE3 . TRP D 4 157 ? -5.862 -47.566 -44.503 1.00 46.62 ? 167 TRP D CE3 1 ? ? +14121 ATOM C CD2 . TRP D 4 157 ? -6.947 -47.977 -45.281 1.00 47.13 ? 167 TRP D CD2 1 ? ? +14122 ATOM C C . TRP D 4 157 ? -4.525 -46.473 -48.929 1.00 46.43 ? 167 TRP D C 1 ? ? +14123 ATOM O O . TRP D 4 157 ? -3.461 -47.038 -48.711 1.00 46.36 ? 167 TRP D O 1 ? ? +14124 ATOM N N . PHE D 4 158 ? -4.824 -45.909 -50.104 1.00 46.45 ? 168 PHE D N 1 ? ? +14125 ATOM C CA . PHE D 4 158 ? -3.954 -45.971 -51.264 1.00 46.35 ? 168 PHE D CA 1 ? ? +14126 ATOM C CB . PHE D 4 158 ? -4.558 -45.143 -52.411 1.00 46.46 ? 168 PHE D CB 1 ? ? +14127 ATOM C CG . PHE D 4 158 ? -3.748 -45.102 -53.682 1.00 46.39 ? 168 PHE D CG 1 ? ? +14128 ATOM C CD1 . PHE D 4 158 ? -2.720 -44.182 -53.847 1.00 45.93 ? 168 PHE D CD1 1 ? ? +14129 ATOM C CD2 . PHE D 4 158 ? -3.984 -46.002 -54.701 1.00 46.82 ? 168 PHE D CD2 1 ? ? +14130 ATOM C CE1 . PHE D 4 158 ? -1.996 -44.133 -55.028 1.00 45.89 ? 168 PHE D CE1 1 ? ? +14131 ATOM C CE2 . PHE D 4 158 ? -3.212 -45.974 -55.868 1.00 46.78 ? 168 PHE D CE2 1 ? ? +14132 ATOM C CZ . PHE D 4 158 ? -2.244 -45.034 -56.026 1.00 46.32 ? 168 PHE D CZ 1 ? ? +14133 ATOM C C . PHE D 4 158 ? -2.540 -45.481 -50.943 1.00 45.81 ? 168 PHE D C 1 ? ? +14134 ATOM O O . PHE D 4 158 ? -1.585 -46.015 -51.461 1.00 45.66 ? 168 PHE D O 1 ? ? +14135 ATOM N N . PHE D 4 159 ? -2.447 -44.478 -50.069 1.00 45.52 ? 169 PHE D N 1 ? ? +14136 ATOM C CA . PHE D 4 159 ? -1.203 -43.817 -49.748 1.00 45.11 ? 169 PHE D CA 1 ? ? +14137 ATOM C CB . PHE D 4 159 ? -1.475 -42.329 -49.527 1.00 44.78 ? 169 PHE D CB 1 ? ? +14138 ATOM C CG . PHE D 4 159 ? -1.822 -41.653 -50.830 1.00 44.88 ? 169 PHE D CG 1 ? ? +14139 ATOM C CD1 . PHE D 4 159 ? -0.855 -41.432 -51.797 1.00 44.74 ? 169 PHE D CD1 1 ? ? +14140 ATOM C CD2 . PHE D 4 159 ? -3.132 -41.299 -51.121 1.00 45.20 ? 169 PHE D CD2 1 ? ? +14141 ATOM C CE1 . PHE D 4 159 ? -1.186 -40.835 -53.002 1.00 44.91 ? 169 PHE D CE1 1 ? ? +14142 ATOM C CE2 . PHE D 4 159 ? -3.454 -40.707 -52.324 1.00 45.34 ? 169 PHE D CE2 1 ? ? +14143 ATOM C CZ . PHE D 4 159 ? -2.483 -40.472 -53.252 1.00 45.20 ? 169 PHE D CZ 1 ? ? +14144 ATOM C C . PHE D 4 159 ? -0.466 -44.461 -48.578 1.00 45.07 ? 169 PHE D C 1 ? ? +14145 ATOM O O . PHE D 4 159 ? 0.690 -44.118 -48.309 1.00 44.86 ? 169 PHE D O 1 ? ? +14146 ATOM N N . ALA D 4 160 ? -1.094 -45.446 -47.931 1.00 45.42 ? 170 ALA D N 1 ? ? +14147 ATOM C CA . ALA D 4 160 ? -0.366 -46.305 -47.012 1.00 45.38 ? 170 ALA D CA 1 ? ? +14148 ATOM C CB . ALA D 4 160 ? -1.285 -47.363 -46.451 1.00 45.79 ? 170 ALA D CB 1 ? ? +14149 ATOM C C . ALA D 4 160 ? 0.797 -46.969 -47.746 1.00 45.43 ? 170 ALA D C 1 ? ? +14150 ATOM O O . ALA D 4 160 ? 0.856 -46.963 -48.980 1.00 45.55 ? 170 ALA D O 1 ? ? +14151 ATOM N N . PRO D 4 161 ? 1.744 -47.612 -47.027 1.00 45.34 ? 171 PRO D N 1 ? ? +14152 ATOM C CA . PRO D 4 161 ? 2.741 -48.443 -47.692 1.00 45.37 ? 171 PRO D CA 1 ? ? +14153 ATOM C CB . PRO D 4 161 ? 3.813 -48.642 -46.623 1.00 45.18 ? 171 PRO D CB 1 ? ? +14154 ATOM C CG . PRO D 4 161 ? 3.117 -48.444 -45.321 1.00 45.20 ? 171 PRO D CG 1 ? ? +14155 ATOM C CD . PRO D 4 161 ? 1.922 -47.552 -45.568 1.00 45.23 ? 171 PRO D CD 1 ? ? +14156 ATOM C C . PRO D 4 161 ? 2.104 -49.743 -48.179 1.00 45.82 ? 171 PRO D C 1 ? ? +14157 ATOM O O . PRO D 4 161 ? 1.280 -50.352 -47.492 1.00 46.03 ? 171 PRO D O 1 ? ? +14158 ATOM N N . SER D 4 162 ? 2.491 -50.137 -49.394 1.00 45.91 ? 172 SER D N 1 ? ? +14159 ATOM C CA . SER D 4 162 ? 2.201 -51.454 -49.916 1.00 46.33 ? 172 SER D CA 1 ? ? +14160 ATOM C CB . SER D 4 162 ? 2.195 -51.410 -51.436 1.00 46.48 ? 172 SER D CB 1 ? ? +14161 ATOM O OG . SER D 4 162 ? 1.176 -50.528 -51.896 1.00 46.48 ? 172 SER D OG 1 ? ? +14162 ATOM C C . SER D 4 162 ? 3.199 -52.462 -49.353 1.00 46.38 ? 172 SER D C 1 ? ? +14163 ATOM O O . SER D 4 162 ? 4.337 -52.114 -49.032 1.00 46.10 ? 172 SER D O 1 ? ? +14164 ATOM N N . PHE D 4 163 ? 2.741 -53.710 -49.206 1.00 46.83 ? 173 PHE D N 1 ? ? +14165 ATOM C CA . PHE D 4 163 ? 3.515 -54.759 -48.564 1.00 46.90 ? 173 PHE D CA 1 ? ? +14166 ATOM C CB . PHE D 4 163 ? 2.566 -55.797 -47.938 1.00 47.42 ? 173 PHE D CB 1 ? ? +14167 ATOM C CG . PHE D 4 163 ? 1.777 -55.312 -46.749 1.00 47.39 ? 173 PHE D CG 1 ? ? +14168 ATOM C CD1 . PHE D 4 163 ? 2.392 -55.112 -45.524 1.00 47.17 ? 173 PHE D CD1 1 ? ? +14169 ATOM C CD2 . PHE D 4 163 ? 0.422 -55.058 -46.854 1.00 47.67 ? 173 PHE D CD2 1 ? ? +14170 ATOM C CE1 . PHE D 4 163 ? 1.662 -54.675 -44.430 1.00 47.15 ? 173 PHE D CE1 1 ? ? +14171 ATOM C CE2 . PHE D 4 163 ? -0.310 -54.628 -45.755 1.00 47.64 ? 173 PHE D CE2 1 ? ? +14172 ATOM C CZ . PHE D 4 163 ? 0.310 -54.436 -44.553 1.00 47.39 ? 173 PHE D CZ 1 ? ? +14173 ATOM C C . PHE D 4 163 ? 4.431 -55.424 -49.582 1.00 46.92 ? 173 PHE D C 1 ? ? +14174 ATOM O O . PHE D 4 163 ? 4.096 -56.466 -50.138 1.00 47.33 ? 173 PHE D O 1 ? ? +14175 ATOM N N . GLY D 4 164 ? 5.575 -54.791 -49.842 1.00 46.45 ? 174 GLY D N 1 ? ? +14176 ATOM C CA . GLY D 4 164 ? 6.559 -55.335 -50.761 1.00 46.50 ? 174 GLY D CA 1 ? ? +14177 ATOM C C . GLY D 4 164 ? 7.888 -54.601 -50.641 1.00 46.02 ? 174 GLY D C 1 ? ? +14178 ATOM O O . GLY D 4 164 ? 7.930 -53.498 -50.116 1.00 45.62 ? 174 GLY D O 1 ? ? +14179 ATOM N N . VAL D 4 165 ? 8.958 -55.208 -51.151 1.00 46.11 ? 175 VAL D N 1 ? ? +14180 ATOM C CA . VAL D 4 165 ? 10.292 -54.639 -50.997 1.00 45.76 ? 175 VAL D CA 1 ? ? +14181 ATOM C CB . VAL D 4 165 ? 11.374 -55.674 -51.381 1.00 46.04 ? 175 VAL D CB 1 ? ? +14182 ATOM C CG1 . VAL D 4 165 ? 12.750 -55.050 -51.435 1.00 45.78 ? 175 VAL D CG1 1 ? ? +14183 ATOM C CG2 . VAL D 4 165 ? 11.367 -56.850 -50.417 1.00 46.30 ? 175 VAL D CG2 1 ? ? +14184 ATOM C C . VAL D 4 165 ? 10.436 -53.327 -51.765 1.00 45.40 ? 175 VAL D C 1 ? ? +14185 ATOM O O . VAL D 4 165 ? 10.675 -52.279 -51.173 1.00 44.99 ? 175 VAL D O 1 ? ? +14186 ATOM N N . ALA D 4 166 ? 10.280 -53.387 -53.087 1.00 45.57 ? 176 ALA D N 1 ? ? +14187 ATOM C CA . ALA D 4 166 ? 10.367 -52.204 -53.925 1.00 45.35 ? 176 ALA D CA 1 ? ? +14188 ATOM C CB . ALA D 4 166 ? 10.400 -52.596 -55.385 1.00 45.64 ? 176 ALA D CB 1 ? ? +14189 ATOM C C . ALA D 4 166 ? 9.231 -51.219 -53.660 1.00 45.24 ? 176 ALA D C 1 ? ? +14190 ATOM O O . ALA D 4 166 ? 9.415 -50.015 -53.831 1.00 44.95 ? 176 ALA D O 1 ? ? +14191 ATOM N N . ALA D 4 167 ? 8.065 -51.726 -53.222 1.00 45.51 ? 177 ALA D N 1 ? ? +14192 ATOM C CA . ALA D 4 167 ? 6.937 -50.867 -52.889 1.00 45.43 ? 177 ALA D CA 1 ? ? +14193 ATOM C CB . ALA D 4 167 ? 5.683 -51.694 -52.592 1.00 45.79 ? 177 ALA D CB 1 ? ? +14194 ATOM C C . ALA D 4 167 ? 7.276 -49.975 -51.699 1.00 45.04 ? 177 ALA D C 1 ? ? +14195 ATOM O O . ALA D 4 167 ? 7.013 -48.784 -51.721 1.00 44.86 ? 177 ALA D O 1 ? ? +14196 ATOM N N . ILE D 4 168 ? 7.867 -50.557 -50.656 1.00 45.06 ? 178 ILE D N 1 ? ? +14197 ATOM C CA . ILE D 4 168 ? 8.402 -49.780 -49.546 1.00 44.71 ? 178 ILE D CA 1 ? ? +14198 ATOM C CB . ILE D 4 168 ? 8.900 -50.760 -48.457 1.00 44.88 ? 178 ILE D CB 1 ? ? +14199 ATOM C CG1 . ILE D 4 168 ? 7.689 -51.368 -47.687 1.00 45.12 ? 178 ILE D CG1 1 ? ? +14200 ATOM C CG2 . ILE D 4 168 ? 9.918 -50.131 -47.518 1.00 44.56 ? 178 ILE D CG2 1 ? ? +14201 ATOM C CD1 . ILE D 4 168 ? 7.018 -50.404 -46.787 1.00 44.87 ? 178 ILE D CD1 1 ? ? +14202 ATOM C C . ILE D 4 168 ? 9.491 -48.788 -49.953 1.00 44.34 ? 178 ILE D C 1 ? ? +14203 ATOM O O . ILE D 4 168 ? 9.517 -47.676 -49.435 1.00 44.04 ? 178 ILE D O 1 ? ? +14204 ATOM N N . PHE D 4 169 ? 10.378 -49.166 -50.883 1.00 44.40 ? 179 PHE D N 1 ? ? +14205 ATOM C CA . PHE D 4 169 ? 11.358 -48.205 -51.378 1.00 44.12 ? 179 PHE D CA 1 ? ? +14206 ATOM C CB . PHE D 4 169 ? 12.340 -48.821 -52.386 1.00 44.24 ? 179 PHE D CB 1 ? ? +14207 ATOM C CG . PHE D 4 169 ? 13.149 -49.979 -51.862 1.00 44.34 ? 179 PHE D CG 1 ? ? +14208 ATOM C CD1 . PHE D 4 169 ? 13.391 -50.125 -50.509 1.00 44.17 ? 179 PHE D CD1 1 ? ? +14209 ATOM C CD2 . PHE D 4 169 ? 13.641 -50.945 -52.721 1.00 44.64 ? 179 PHE D CD2 1 ? ? +14210 ATOM C CE1 . PHE D 4 169 ? 14.108 -51.204 -50.040 1.00 44.32 ? 179 PHE D CE1 1 ? ? +14211 ATOM C CE2 . PHE D 4 169 ? 14.348 -52.019 -52.240 1.00 44.78 ? 179 PHE D CE2 1 ? ? +14212 ATOM C CZ . PHE D 4 169 ? 14.572 -52.144 -50.906 1.00 44.63 ? 179 PHE D CZ 1 ? ? +14213 ATOM C C . PHE D 4 169 ? 10.654 -46.997 -51.992 1.00 43.97 ? 179 PHE D C 1 ? ? +14214 ATOM O O . PHE D 4 169 ? 11.037 -45.860 -51.755 1.00 43.69 ? 179 PHE D O 1 ? ? +14215 ATOM N N . ARG D 4 170 ? 9.594 -47.239 -52.758 1.00 44.27 ? 180 ARG D N 1 ? ? +14216 ATOM C CA . ARG D 4 170 ? 8.800 -46.144 -53.296 1.00 44.17 ? 180 ARG D CA 1 ? ? +14217 ATOM C CB . ARG D 4 170 ? 7.670 -46.715 -54.164 1.00 44.61 ? 180 ARG D CB 1 ? ? +14218 ATOM C CG . ARG D 4 170 ? 6.574 -45.731 -54.519 1.00 44.63 ? 180 ARG D CG 1 ? ? +14219 ATOM C CD . ARG D 4 170 ? 5.486 -45.737 -53.467 1.00 44.67 ? 180 ARG D CD 1 ? ? +14220 ATOM N NE . ARG D 4 170 ? 4.410 -44.813 -53.788 1.00 44.71 ? 180 ARG D NE 1 ? ? +14221 ATOM C CZ . ARG D 4 170 ? 3.613 -44.279 -52.886 1.00 44.60 ? 180 ARG D CZ 1 ? ? +14222 ATOM N NH1 . ARG D 4 170 ? 3.544 -44.760 -51.660 1.00 44.56 ? 180 ARG D NH1 1 ? ? +14223 ATOM N NH2 . ARG D 4 170 ? 2.883 -43.219 -53.215 1.00 44.62 ? 180 ARG D NH2 1 ? ? +14224 ATOM C C . ARG D 4 170 ? 8.295 -45.250 -52.163 1.00 43.82 ? 180 ARG D C 1 ? ? +14225 ATOM O O . ARG D 4 170 ? 8.348 -44.025 -52.263 1.00 43.59 ? 180 ARG D O 1 ? ? +14226 ATOM N N . PHE D 4 171 ? 7.840 -45.878 -51.074 1.00 43.81 ? 181 PHE D N 1 ? ? +14227 ATOM C CA . PHE D 4 171 ? 7.345 -45.160 -49.909 1.00 43.54 ? 181 PHE D CA 1 ? ? +14228 ATOM C CB . PHE D 4 171 ? 6.897 -46.176 -48.849 1.00 43.71 ? 181 PHE D CB 1 ? ? +14229 ATOM C CG . PHE D 4 171 ? 6.005 -45.610 -47.779 1.00 43.64 ? 181 PHE D CG 1 ? ? +14230 ATOM C CD1 . PHE D 4 171 ? 4.706 -45.228 -48.069 1.00 43.81 ? 181 PHE D CD1 1 ? ? +14231 ATOM C CD2 . PHE D 4 171 ? 6.461 -45.464 -46.476 1.00 43.44 ? 181 PHE D CD2 1 ? ? +14232 ATOM C CE1 . PHE D 4 171 ? 3.884 -44.718 -47.083 1.00 43.75 ? 181 PHE D CE1 1 ? ? +14233 ATOM C CE2 . PHE D 4 171 ? 5.646 -44.941 -45.494 1.00 43.36 ? 181 PHE D CE2 1 ? ? +14234 ATOM C CZ . PHE D 4 171 ? 4.354 -44.576 -45.802 1.00 43.56 ? 181 PHE D CZ 1 ? ? +14235 ATOM C C . PHE D 4 171 ? 8.409 -44.208 -49.351 1.00 43.12 ? 181 PHE D C 1 ? ? +14236 ATOM O O . PHE D 4 171 ? 8.145 -43.040 -49.088 1.00 42.86 ? 181 PHE D O 1 ? ? +14237 ATOM N N . LEU D 4 172 ? 9.640 -44.712 -49.199 1.00 43.07 ? 182 LEU D N 1 ? ? +14238 ATOM C CA . LEU D 4 172 ? 10.749 -43.893 -48.736 1.00 42.71 ? 182 LEU D CA 1 ? ? +14239 ATOM C CB . LEU D 4 172 ? 12.059 -44.687 -48.760 1.00 42.88 ? 182 LEU D CB 1 ? ? +14240 ATOM C CG . LEU D 4 172 ? 12.061 -45.998 -47.999 1.00 43.18 ? 182 LEU D CG 1 ? ? +14241 ATOM C CD1 . LEU D 4 172 ? 13.376 -46.698 -48.132 1.00 43.42 ? 182 LEU D CD1 1 ? ? +14242 ATOM C CD2 . LEU D 4 172 ? 11.771 -45.807 -46.565 1.00 43.04 ? 182 LEU D CD2 1 ? ? +14243 ATOM C C . LEU D 4 172 ? 10.925 -42.640 -49.588 1.00 42.42 ? 182 LEU D C 1 ? ? +14244 ATOM O O . LEU D 4 172 ? 11.058 -41.539 -49.049 1.00 42.11 ? 182 LEU D O 1 ? ? +14245 ATOM N N A LEU D 4 173 ? 10.920 -42.830 -50.914 0.40 42.57 ? 183 LEU D N 1 ? ? +14246 ATOM N N B LEU D 4 173 ? 10.922 -42.830 -50.915 0.60 42.57 ? 183 LEU D N 1 ? ? +14247 ATOM C CA A LEU D 4 173 ? 11.192 -41.762 -51.859 0.40 42.44 ? 183 LEU D CA 1 ? ? +14248 ATOM C CA B LEU D 4 173 ? 11.193 -41.761 -51.859 0.60 42.43 ? 183 LEU D CA 1 ? ? +14249 ATOM C C A LEU D 4 173 ? 10.041 -40.762 -51.951 0.40 42.33 ? 183 LEU D C 1 ? ? +14250 ATOM C C B LEU D 4 173 ? 10.041 -40.762 -51.951 0.60 42.32 ? 183 LEU D C 1 ? ? +14251 ATOM O O A LEU D 4 173 ? 10.269 -39.561 -52.081 0.40 42.11 ? 183 LEU D O 1 ? ? +14252 ATOM O O B LEU D 4 173 ? 10.267 -39.559 -52.078 0.60 42.09 ? 183 LEU D O 1 ? ? +14253 ATOM C CB A LEU D 4 173 ? 11.485 -42.388 -53.220 0.40 42.73 ? 183 LEU D CB 1 ? ? +14254 ATOM C CB B LEU D 4 173 ? 11.488 -42.386 -53.220 0.60 42.74 ? 183 LEU D CB 1 ? ? +14255 ATOM C CG A LEU D 4 173 ? 12.721 -43.289 -53.246 0.40 42.84 ? 183 LEU D CG 1 ? ? +14256 ATOM C CG B LEU D 4 173 ? 12.712 -43.315 -53.254 0.60 42.86 ? 183 LEU D CG 1 ? ? +14257 ATOM C CD1 A LEU D 4 173 ? 13.047 -43.735 -54.656 0.40 43.13 ? 183 LEU D CD1 1 ? ? +14258 ATOM C CD1 B LEU D 4 173 ? 13.014 -43.773 -54.673 0.60 43.16 ? 183 LEU D CD1 1 ? ? +14259 ATOM C CD2 A LEU D 4 173 ? 13.911 -42.594 -52.634 0.40 42.58 ? 183 LEU D CD2 1 ? ? +14260 ATOM C CD2 B LEU D 4 173 ? 13.925 -42.652 -52.659 0.60 42.60 ? 183 LEU D CD2 1 ? ? +14261 ATOM N N . PHE D 4 174 ? 8.803 -41.265 -51.862 1.00 42.50 ? 184 PHE D N 1 ? ? +14262 ATOM C CA . PHE D 4 174 ? 7.641 -40.401 -51.773 1.00 42.43 ? 184 PHE D CA 1 ? ? +14263 ATOM C CB . PHE D 4 174 ? 6.352 -41.224 -51.688 1.00 42.79 ? 184 PHE D CB 1 ? ? +14264 ATOM C CG . PHE D 4 174 ? 5.077 -40.422 -51.597 1.00 42.86 ? 184 PHE D CG 1 ? ? +14265 ATOM C CD1 . PHE D 4 174 ? 4.719 -39.789 -50.429 1.00 42.68 ? 184 PHE D CD1 1 ? ? +14266 ATOM C CD2 . PHE D 4 174 ? 4.241 -40.305 -52.682 1.00 43.18 ? 184 PHE D CD2 1 ? ? +14267 ATOM C CE1 . PHE D 4 174 ? 3.513 -39.078 -50.343 1.00 42.81 ? 184 PHE D CE1 1 ? ? +14268 ATOM C CE2 . PHE D 4 174 ? 3.042 -39.588 -52.598 1.00 43.29 ? 184 PHE D CE2 1 ? ? +14269 ATOM C CZ . PHE D 4 174 ? 2.688 -38.975 -51.434 1.00 43.07 ? 184 PHE D CZ 1 ? ? +14270 ATOM C C . PHE D 4 174 ? 7.779 -39.489 -50.558 1.00 42.03 ? 184 PHE D C 1 ? ? +14271 ATOM O O . PHE D 4 174 ? 7.562 -38.281 -50.650 1.00 41.85 ? 184 PHE D O 1 ? ? +14272 ATOM N N . PHE D 4 175 ? 8.175 -40.065 -49.420 1.00 41.91 ? 185 PHE D N 1 ? ? +14273 ATOM C CA . PHE D 4 175 ? 8.302 -39.284 -48.201 1.00 41.62 ? 185 PHE D CA 1 ? ? +14274 ATOM C CB . PHE D 4 175 ? 8.518 -40.178 -46.973 1.00 41.67 ? 185 PHE D CB 1 ? ? +14275 ATOM C CG . PHE D 4 175 ? 7.224 -40.583 -46.287 1.00 41.85 ? 185 PHE D CG 1 ? ? +14276 ATOM C CD1 . PHE D 4 175 ? 6.159 -41.091 -47.018 1.00 42.15 ? 185 PHE D CD1 1 ? ? +14277 ATOM C CD2 . PHE D 4 175 ? 7.074 -40.439 -44.921 1.00 41.77 ? 185 PHE D CD2 1 ? ? +14278 ATOM C CE1 . PHE D 4 175 ? 4.963 -41.437 -46.388 1.00 42.35 ? 185 PHE D CE1 1 ? ? +14279 ATOM C CE2 . PHE D 4 175 ? 5.886 -40.809 -44.295 1.00 41.96 ? 185 PHE D CE2 1 ? ? +14280 ATOM C CZ . PHE D 4 175 ? 4.832 -41.292 -45.037 1.00 42.23 ? 185 PHE D CZ 1 ? ? +14281 ATOM C C . PHE D 4 175 ? 9.368 -38.198 -48.271 1.00 41.33 ? 185 PHE D C 1 ? ? +14282 ATOM O O . PHE D 4 175 ? 9.218 -37.169 -47.623 1.00 41.13 ? 185 PHE D O 1 ? ? +14283 ATOM N N A GLN D 4 176 ? 10.432 -38.425 -49.054 0.40 41.37 ? 186 GLN D N 1 ? ? +14284 ATOM N N B GLN D 4 176 ? 10.432 -38.424 -49.056 0.60 41.38 ? 186 GLN D N 1 ? ? +14285 ATOM C CA A GLN D 4 176 ? 11.450 -37.406 -49.244 0.40 41.17 ? 186 GLN D CA 1 ? ? +14286 ATOM C CA B GLN D 4 176 ? 11.448 -37.402 -49.250 0.60 41.17 ? 186 GLN D CA 1 ? ? +14287 ATOM C C A GLN D 4 176 ? 10.883 -36.283 -50.105 0.40 41.19 ? 186 GLN D C 1 ? ? +14288 ATOM C C B GLN D 4 176 ? 10.873 -36.281 -50.109 0.60 41.19 ? 186 GLN D C 1 ? ? +14289 ATOM O O A GLN D 4 176 ? 10.911 -35.118 -49.716 0.40 40.98 ? 186 GLN D O 1 ? ? +14290 ATOM O O B GLN D 4 176 ? 10.900 -35.114 -49.721 0.60 40.98 ? 186 GLN D O 1 ? ? +14291 ATOM C CB A GLN D 4 176 ? 12.700 -37.997 -49.895 0.40 41.25 ? 186 GLN D CB 1 ? ? +14292 ATOM C CB B GLN D 4 176 ? 12.705 -37.990 -49.911 0.60 41.26 ? 186 GLN D CB 1 ? ? +14293 ATOM C CG A GLN D 4 176 ? 13.705 -36.950 -50.254 0.40 41.10 ? 186 GLN D CG 1 ? ? +14294 ATOM C CG B GLN D 4 176 ? 13.751 -36.960 -50.244 0.60 41.11 ? 186 GLN D CG 1 ? ? +14295 ATOM C CD A GLN D 4 176 ? 14.043 -36.091 -49.073 0.40 40.83 ? 186 GLN D CD 1 ? ? +14296 ATOM C CD B GLN D 4 176 ? 14.092 -36.093 -49.064 0.60 40.84 ? 186 GLN D CD 1 ? ? +14297 ATOM O OE1 A GLN D 4 176 ? 14.325 -36.573 -47.970 0.40 40.74 ? 186 GLN D OE1 1 ? ? +14298 ATOM O OE1 B GLN D 4 176 ? 14.397 -36.572 -47.966 0.60 40.74 ? 186 GLN D OE1 1 ? ? +14299 ATOM N NE2 A GLN D 4 176 ? 14.010 -34.788 -49.280 0.40 40.70 ? 186 GLN D NE2 1 ? ? +14300 ATOM N NE2 B GLN D 4 176 ? 14.032 -34.786 -49.269 0.60 40.71 ? 186 GLN D NE2 1 ? ? +14301 ATOM N N A GLY D 4 177 ? 10.341 -36.661 -51.268 0.40 41.46 ? 187 GLY D N 1 ? ? +14302 ATOM N N B GLY D 4 177 ? 10.337 -36.663 -51.275 0.60 41.48 ? 187 GLY D N 1 ? ? +14303 ATOM C CA A GLY D 4 177 ? 9.864 -35.701 -52.249 0.40 41.56 ? 187 GLY D CA 1 ? ? +14304 ATOM C CA B GLY D 4 177 ? 9.857 -35.707 -52.258 0.60 41.57 ? 187 GLY D CA 1 ? ? +14305 ATOM C C A GLY D 4 177 ? 8.695 -34.834 -51.782 0.40 41.54 ? 187 GLY D C 1 ? ? +14306 ATOM C C B GLY D 4 177 ? 8.693 -34.836 -51.785 0.60 41.54 ? 187 GLY D C 1 ? ? +14307 ATOM O O A GLY D 4 177 ? 8.691 -33.629 -52.027 0.40 41.45 ? 187 GLY D O 1 ? ? +14308 ATOM O O B GLY D 4 177 ? 8.692 -33.631 -52.028 0.60 41.46 ? 187 GLY D O 1 ? ? +14309 ATOM N N . PHE D 4 178 ? 7.709 -35.460 -51.124 1.00 41.64 ? 188 PHE D N 1 ? ? +14310 ATOM C CA . PHE D 4 178 ? 6.495 -34.764 -50.718 1.00 41.71 ? 188 PHE D CA 1 ? ? +14311 ATOM C CB . PHE D 4 178 ? 5.279 -35.697 -50.892 1.00 42.09 ? 188 PHE D CB 1 ? ? +14312 ATOM C CG . PHE D 4 178 ? 4.926 -35.956 -52.339 1.00 42.48 ? 188 PHE D CG 1 ? ? +14313 ATOM C CD1 . PHE D 4 178 ? 5.658 -36.849 -53.098 1.00 42.65 ? 188 PHE D CD1 1 ? ? +14314 ATOM C CD2 . PHE D 4 178 ? 3.862 -35.299 -52.938 1.00 42.72 ? 188 PHE D CD2 1 ? ? +14315 ATOM C CE1 . PHE D 4 178 ? 5.346 -37.072 -54.424 1.00 43.00 ? 188 PHE D CE1 1 ? ? +14316 ATOM C CE2 . PHE D 4 178 ? 3.536 -35.533 -54.272 1.00 43.05 ? 188 PHE D CE2 1 ? ? +14317 ATOM C CZ . PHE D 4 178 ? 4.280 -36.413 -55.010 1.00 43.20 ? 188 PHE D CZ 1 ? ? +14318 ATOM C C . PHE D 4 178 ? 6.549 -34.191 -49.300 1.00 41.44 ? 188 PHE D C 1 ? ? +14319 ATOM O O . PHE D 4 178 ? 6.114 -33.065 -49.079 1.00 41.36 ? 188 PHE D O 1 ? ? +14320 ATOM N N . HIS D 4 179 ? 7.120 -34.943 -48.353 1.00 41.34 ? 189 HIS D N 1 ? ? +14321 ATOM C CA . HIS D 4 179 ? 7.155 -34.554 -46.948 1.00 41.11 ? 189 HIS D CA 1 ? ? +14322 ATOM C CB . HIS D 4 179 ? 6.814 -35.758 -46.081 1.00 41.23 ? 189 HIS D CB 1 ? ? +14323 ATOM C CG . HIS D 4 179 ? 5.424 -36.280 -46.260 1.00 41.53 ? 189 HIS D CG 1 ? ? +14324 ATOM N ND1 . HIS D 4 179 ? 4.327 -35.449 -46.164 1.00 41.57 ? 189 HIS D ND1 1 ? ? +14325 ATOM C CE1 . HIS D 4 179 ? 3.275 -36.223 -46.343 1.00 41.90 ? 189 HIS D CE1 1 ? ? +14326 ATOM N NE2 . HIS D 4 179 ? 3.636 -37.493 -46.565 1.00 42.06 ? 189 HIS D NE2 1 ? ? +14327 ATOM C CD2 . HIS D 4 179 ? 5.008 -37.537 -46.507 1.00 41.83 ? 189 HIS D CD2 1 ? ? +14328 ATOM C C . HIS D 4 179 ? 8.486 -34.011 -46.421 1.00 40.81 ? 189 HIS D C 1 ? ? +14329 ATOM O O . HIS D 4 179 ? 8.564 -33.570 -45.268 1.00 40.63 ? 189 HIS D O 1 ? ? +14330 ATOM N N . ASN D 4 180 ? 9.524 -34.077 -47.260 1.00 40.78 ? 190 ASN D N 1 ? ? +14331 ATOM C CA . ASN D 4 180 ? 10.869 -33.703 -46.854 1.00 40.58 ? 190 ASN D CA 1 ? ? +14332 ATOM C CB . ASN D 4 180 ? 11.026 -32.190 -46.794 1.00 40.40 ? 190 ASN D CB 1 ? ? +14333 ATOM C CG . ASN D 4 180 ? 12.480 -31.760 -46.987 1.00 40.31 ? 190 ASN D CG 1 ? ? +14334 ATOM O OD1 . ASN D 4 180 ? 13.321 -32.539 -47.353 1.00 40.34 ? 190 ASN D OD1 1 ? ? +14335 ATOM N ND2 . ASN D 4 180 ? 12.772 -30.513 -46.781 1.00 40.15 ? 190 ASN D ND2 1 ? ? +14336 ATOM C C . ASN D 4 180 ? 11.208 -34.315 -45.504 1.00 40.46 ? 190 ASN D C 1 ? ? +14337 ATOM O O . ASN D 4 180 ? 11.657 -33.614 -44.614 1.00 40.32 ? 190 ASN D O 1 ? ? +14338 ATOM N N . TRP D 4 181 ? 10.971 -35.622 -45.373 1.00 40.60 ? 191 TRP D N 1 ? ? +14339 ATOM C CA . TRP D 4 181 ? 11.071 -36.335 -44.109 1.00 40.58 ? 191 TRP D CA 1 ? ? +14340 ATOM C CB . TRP D 4 181 ? 10.387 -37.677 -44.356 1.00 40.82 ? 191 TRP D CB 1 ? ? +14341 ATOM C CG . TRP D 4 181 ? 10.354 -38.710 -43.273 1.00 40.92 ? 191 TRP D CG 1 ? ? +14342 ATOM C CD1 . TRP D 4 181 ? 10.720 -40.013 -43.406 1.00 41.13 ? 191 TRP D CD1 1 ? ? +14343 ATOM N NE1 . TRP D 4 181 ? 10.510 -40.689 -42.231 1.00 41.21 ? 191 TRP D NE1 1 ? ? +14344 ATOM C CE2 . TRP D 4 181 ? 9.973 -39.832 -41.311 1.00 41.06 ? 191 TRP D CE2 1 ? ? +14345 ATOM C CZ2 . TRP D 4 181 ? 9.560 -40.063 -39.991 1.00 41.09 ? 191 TRP D CZ2 1 ? ? +14346 ATOM C CH2 . TRP D 4 181 ? 9.055 -38.993 -39.291 1.00 40.92 ? 191 TRP D CH2 1 ? ? +14347 ATOM C CZ3 . TRP D 4 181 ? 8.935 -37.732 -39.879 1.00 40.74 ? 191 TRP D CZ3 1 ? ? +14348 ATOM C CE3 . TRP D 4 181 ? 9.329 -37.506 -41.200 1.00 40.72 ? 191 TRP D CE3 1 ? ? +14349 ATOM C CD2 . TRP D 4 181 ? 9.855 -38.570 -41.937 1.00 40.87 ? 191 TRP D CD2 1 ? ? +14350 ATOM C C . TRP D 4 181 ? 12.484 -36.476 -43.514 1.00 40.51 ? 191 TRP D C 1 ? ? +14351 ATOM O O . TRP D 4 181 ? 12.618 -36.691 -42.309 1.00 40.46 ? 191 TRP D O 1 ? ? +14352 ATOM N N A THR D 4 182 ? 13.529 -36.335 -44.340 0.40 40.52 ? 192 THR D N 1 ? ? +14353 ATOM N N B THR D 4 182 ? 13.532 -36.342 -44.338 0.60 40.51 ? 192 THR D N 1 ? ? +14354 ATOM C CA A THR D 4 182 ? 14.889 -36.336 -43.812 0.40 40.49 ? 192 THR D CA 1 ? ? +14355 ATOM C CA B THR D 4 182 ? 14.891 -36.338 -43.804 0.60 40.49 ? 192 THR D CA 1 ? ? +14356 ATOM C C A THR D 4 182 ? 15.127 -35.111 -42.935 0.40 40.28 ? 192 THR D C 1 ? ? +14357 ATOM C C B THR D 4 182 ? 15.125 -35.112 -42.927 0.60 40.29 ? 192 THR D C 1 ? ? +14358 ATOM O O A THR D 4 182 ? 15.980 -35.145 -42.052 0.40 40.23 ? 192 THR D O 1 ? ? +14359 ATOM O O B THR D 4 182 ? 15.970 -35.151 -42.036 0.60 40.23 ? 192 THR D O 1 ? ? +14360 ATOM C CB A THR D 4 182 ? 15.954 -36.410 -44.907 0.40 40.58 ? 192 THR D CB 1 ? ? +14361 ATOM C CB B THR D 4 182 ? 15.971 -36.406 -44.887 0.60 40.58 ? 192 THR D CB 1 ? ? +14362 ATOM O OG1 A THR D 4 182 ? 15.556 -35.575 -45.993 0.40 40.58 ? 192 THR D OG1 1 ? ? +14363 ATOM O OG1 B THR D 4 182 ? 15.605 -35.537 -45.955 0.60 40.58 ? 192 THR D OG1 1 ? ? +14364 ATOM C CG2 A THR D 4 182 ? 16.176 -37.829 -45.404 0.40 40.81 ? 192 THR D CG2 1 ? ? +14365 ATOM C CG2 B THR D 4 182 ? 16.172 -37.804 -45.418 0.60 40.82 ? 192 THR D CG2 1 ? ? +14366 ATOM N N . LEU D 4 183 ? 14.331 -34.055 -43.173 1.00 40.20 ? 193 LEU D N 1 ? ? +14367 ATOM C CA . LEU D 4 183 ? 14.462 -32.800 -42.448 1.00 40.02 ? 193 LEU D CA 1 ? ? +14368 ATOM C CB . LEU D 4 183 ? 13.941 -31.636 -43.292 1.00 39.93 ? 193 LEU D CB 1 ? ? +14369 ATOM C CG . LEU D 4 183 ? 14.477 -30.252 -42.928 1.00 39.77 ? 193 LEU D CG 1 ? ? +14370 ATOM C CD1 . LEU D 4 183 ? 16.058 -30.109 -43.217 1.00 39.81 ? 193 LEU D CD1 1 ? ? +14371 ATOM C CD2 . LEU D 4 183 ? 13.778 -29.178 -43.659 1.00 39.76 ? 193 LEU D CD2 1 ? ? +14372 ATOM C C . LEU D 4 183 ? 13.758 -32.803 -41.098 1.00 40.02 ? 193 LEU D C 1 ? ? +14373 ATOM O O . LEU D 4 183 ? 13.936 -31.867 -40.325 1.00 39.88 ? 193 LEU D O 1 ? ? +14374 ATOM N N . ASN D 4 184 ? 12.985 -33.865 -40.820 1.00 40.21 ? 194 ASN D N 1 ? ? +14375 ATOM C CA . ASN D 4 184 ? 12.116 -33.901 -39.656 1.00 40.22 ? 194 ASN D CA 1 ? ? +14376 ATOM C CB . ASN D 4 184 ? 10.980 -34.850 -39.898 1.00 40.39 ? 194 ASN D CB 1 ? ? +14377 ATOM C CG . ASN D 4 184 ? 9.862 -34.604 -38.975 1.00 40.39 ? 194 ASN D CG 1 ? ? +14378 ATOM O OD1 . ASN D 4 184 ? 9.940 -34.826 -37.780 1.00 40.37 ? 194 ASN D OD1 1 ? ? +14379 ATOM N ND2 . ASN D 4 184 ? 8.816 -34.094 -39.540 1.00 40.45 ? 194 ASN D ND2 1 ? ? +14380 ATOM C C . ASN D 4 184 ? 12.891 -34.344 -38.421 1.00 40.27 ? 194 ASN D C 1 ? ? +14381 ATOM O O . ASN D 4 184 ? 13.522 -35.400 -38.434 1.00 40.45 ? 194 ASN D O 1 ? ? +14382 ATOM N N . PRO D 4 185 ? 12.880 -33.559 -37.321 1.00 40.17 ? 195 PRO D N 1 ? ? +14383 ATOM C CA . PRO D 4 185 ? 13.680 -33.899 -36.149 1.00 40.20 ? 195 PRO D CA 1 ? ? +14384 ATOM C CB . PRO D 4 185 ? 13.548 -32.671 -35.258 1.00 40.05 ? 195 PRO D CB 1 ? ? +14385 ATOM C CG . PRO D 4 185 ? 12.324 -31.956 -35.734 1.00 39.97 ? 195 PRO D CG 1 ? ? +14386 ATOM C CD . PRO D 4 185 ? 12.175 -32.279 -37.180 1.00 40.02 ? 195 PRO D CD 1 ? ? +14387 ATOM C C . PRO D 4 185 ? 13.240 -35.189 -35.476 1.00 40.42 ? 195 PRO D C 1 ? ? +14388 ATOM O O . PRO D 4 185 ? 14.064 -35.858 -34.857 1.00 40.46 ? 195 PRO D O 1 ? ? +14389 ATOM N N . PHE D 4 186 ? 11.942 -35.523 -35.595 1.00 40.55 ? 196 PHE D N 1 ? ? +14390 ATOM C CA . PHE D 4 186 ? 11.434 -36.768 -35.046 1.00 40.81 ? 196 PHE D CA 1 ? ? +14391 ATOM C CB . PHE D 4 186 ? 9.884 -36.810 -35.093 1.00 40.89 ? 196 PHE D CB 1 ? ? +14392 ATOM C CG . PHE D 4 186 ? 9.319 -35.871 -34.080 1.00 40.77 ? 196 PHE D CG 1 ? ? +14393 ATOM C CD1 . PHE D 4 186 ? 9.407 -36.156 -32.725 1.00 40.83 ? 196 PHE D CD1 1 ? ? +14394 ATOM C CD2 . PHE D 4 186 ? 8.738 -34.680 -34.471 1.00 40.63 ? 196 PHE D CD2 1 ? ? +14395 ATOM C CE1 . PHE D 4 186 ? 8.907 -35.268 -31.777 1.00 40.77 ? 196 PHE D CE1 1 ? ? +14396 ATOM C CE2 . PHE D 4 186 ? 8.240 -33.785 -33.525 1.00 40.56 ? 196 PHE D CE2 1 ? ? +14397 ATOM C CZ . PHE D 4 186 ? 8.326 -34.083 -32.184 1.00 40.63 ? 196 PHE D CZ 1 ? ? +14398 ATOM C C . PHE D 4 186 ? 12.026 -37.975 -35.769 1.00 41.05 ? 196 PHE D C 1 ? ? +14399 ATOM O O . PHE D 4 186 ? 12.325 -38.991 -35.143 1.00 41.19 ? 196 PHE D O 1 ? ? +14400 ATOM N N . HIS D 4 187 ? 12.146 -37.863 -37.092 1.00 41.17 ? 197 HIS D N 1 ? ? +14401 ATOM C CA . HIS D 4 187 ? 12.879 -38.849 -37.861 1.00 41.51 ? 197 HIS D CA 1 ? ? +14402 ATOM C CB . HIS D 4 187 ? 12.709 -38.571 -39.363 1.00 41.54 ? 197 HIS D CB 1 ? ? +14403 ATOM C CG . HIS D 4 187 ? 13.309 -39.650 -40.203 1.00 41.82 ? 197 HIS D CG 1 ? ? +14404 ATOM N ND1 . HIS D 4 187 ? 14.516 -39.472 -40.853 1.00 41.91 ? 197 HIS D ND1 1 ? ? +14405 ATOM C CE1 . HIS D 4 187 ? 14.784 -40.614 -41.459 1.00 42.10 ? 197 HIS D CE1 1 ? ? +14406 ATOM N NE2 . HIS D 4 187 ? 13.845 -41.522 -41.208 1.00 42.22 ? 197 HIS D NE2 1 ? ? +14407 ATOM C CD2 . HIS D 4 187 ? 12.913 -40.923 -40.379 1.00 42.09 ? 197 HIS D CD2 1 ? ? +14408 ATOM C C . HIS D 4 187 ? 14.370 -38.892 -37.460 1.00 41.62 ? 197 HIS D C 1 ? ? +14409 ATOM O O . HIS D 4 187 ? 14.950 -39.952 -37.279 1.00 41.70 ? 197 HIS D O 1 ? ? +14410 ATOM N N . MET D 4 188 ? 14.992 -37.734 -37.273 1.00 41.64 ? 198 MET D N 1 ? ? +14411 ATOM C CA . MET D 4 188 ? 16.407 -37.689 -36.909 1.00 41.91 ? 198 MET D CA 1 ? ? +14412 ATOM C CB . MET D 4 188 ? 16.880 -36.229 -36.808 1.00 41.84 ? 198 MET D CB 1 ? ? +14413 ATOM C CG . MET D 4 188 ? 16.959 -35.524 -38.149 1.00 41.90 ? 198 MET D CG 1 ? ? +14414 ATOM S SD . MET D 4 188 ? 16.967 -33.737 -37.914 1.00 41.99 ? 198 MET D SD 1 ? ? +14415 ATOM C CE . MET D 4 188 ? 17.177 -33.141 -39.559 1.00 41.89 ? 198 MET D CE 1 ? ? +14416 ATOM C C . MET D 4 188 ? 16.660 -38.418 -35.589 1.00 42.09 ? 198 MET D C 1 ? ? +14417 ATOM O O . MET D 4 188 ? 17.636 -39.162 -35.448 1.00 42.28 ? 198 MET D O 1 ? ? +14418 ATOM N N . MET D 4 189 ? 15.738 -38.235 -34.637 1.00 42.04 ? 199 MET D N 1 ? ? +14419 ATOM C CA . MET D 4 189 ? 15.810 -38.902 -33.348 1.00 42.16 ? 199 MET D CA 1 ? ? +14420 ATOM C CB . MET D 4 189 ? 14.708 -38.352 -32.408 1.00 42.11 ? 199 MET D CB 1 ? ? +14421 ATOM C CG . MET D 4 189 ? 15.029 -36.977 -31.906 1.00 41.92 ? 199 MET D CG 1 ? ? +14422 ATOM S SD . MET D 4 189 ? 14.118 -36.485 -30.482 1.00 41.99 ? 199 MET D SD 1 ? ? +14423 ATOM C CE . MET D 4 189 ? 12.491 -36.071 -31.294 1.00 41.93 ? 199 MET D CE 1 ? ? +14424 ATOM C C . MET D 4 189 ? 15.683 -40.414 -33.529 1.00 42.43 ? 199 MET D C 1 ? ? +14425 ATOM O O . MET D 4 189 ? 16.366 -41.197 -32.867 1.00 42.66 ? 199 MET D O 1 ? ? +14426 ATOM N N . GLY D 4 190 ? 14.817 -40.825 -34.456 1.00 42.40 ? 200 GLY D N 1 ? ? +14427 ATOM C CA . GLY D 4 190 ? 14.658 -42.239 -34.749 1.00 42.61 ? 200 GLY D CA 1 ? ? +14428 ATOM C C . GLY D 4 190 ? 15.919 -42.843 -35.363 1.00 42.56 ? 200 GLY D C 1 ? ? +14429 ATOM O O . GLY D 4 190 ? 16.311 -43.947 -35.012 1.00 42.74 ? 200 GLY D O 1 ? ? +14430 ATOM N N . VAL D 4 191 ? 16.528 -42.110 -36.298 1.00 42.35 ? 201 VAL D N 1 ? ? +14431 ATOM C CA . VAL D 4 191 ? 17.783 -42.519 -36.901 1.00 42.40 ? 201 VAL D CA 1 ? ? +14432 ATOM C CB . VAL D 4 191 ? 18.285 -41.528 -37.954 1.00 42.23 ? 201 VAL D CB 1 ? ? +14433 ATOM C CG1 . VAL D 4 191 ? 19.707 -41.883 -38.379 1.00 42.43 ? 201 VAL D CG1 1 ? ? +14434 ATOM C CG2 . VAL D 4 191 ? 17.372 -41.467 -39.158 1.00 42.16 ? 201 VAL D CG2 1 ? ? +14435 ATOM C C . VAL D 4 191 ? 18.814 -42.726 -35.797 1.00 42.44 ? 201 VAL D C 1 ? ? +14436 ATOM O O . VAL D 4 191 ? 19.495 -43.745 -35.780 1.00 42.70 ? 201 VAL D O 1 ? ? +14437 ATOM N N A ALA D 4 192 ? 18.891 -41.765 -34.871 0.40 42.27 ? 202 ALA D N 1 ? ? +14438 ATOM N N B ALA D 4 192 ? 18.889 -41.764 -34.873 0.60 42.25 ? 202 ALA D N 1 ? ? +14439 ATOM C CA A ALA D 4 192 ? 19.836 -41.817 -33.768 0.40 42.36 ? 202 ALA D CA 1 ? ? +14440 ATOM C CA B ALA D 4 192 ? 19.833 -41.813 -33.770 0.60 42.35 ? 202 ALA D CA 1 ? ? +14441 ATOM C C A ALA D 4 192 ? 19.604 -43.049 -32.901 0.40 42.64 ? 202 ALA D C 1 ? ? +14442 ATOM C C B ALA D 4 192 ? 19.608 -43.047 -32.906 0.60 42.59 ? 202 ALA D C 1 ? ? +14443 ATOM O O A ALA D 4 192 ? 20.552 -43.688 -32.451 0.40 42.86 ? 202 ALA D O 1 ? ? +14444 ATOM O O B ALA D 4 192 ? 20.564 -43.679 -32.459 0.60 42.82 ? 202 ALA D O 1 ? ? +14445 ATOM C CB A ALA D 4 192 ? 19.736 -40.556 -32.927 0.40 42.13 ? 202 ALA D CB 1 ? ? +14446 ATOM C CB B ALA D 4 192 ? 19.730 -40.558 -32.922 0.60 42.12 ? 202 ALA D CB 1 ? ? +14447 ATOM N N A GLY D 4 193 ? 18.329 -43.377 -32.677 0.40 42.63 ? 203 GLY D N 1 ? ? +14448 ATOM N N B GLY D 4 193 ? 18.334 -43.377 -32.675 0.60 42.57 ? 203 GLY D N 1 ? ? +14449 ATOM C CA A GLY D 4 193 ? 17.970 -44.527 -31.864 0.40 42.90 ? 203 GLY D CA 1 ? ? +14450 ATOM C CA B GLY D 4 193 ? 17.982 -44.534 -31.870 0.60 42.81 ? 203 GLY D CA 1 ? ? +14451 ATOM C C A GLY D 4 193 ? 18.355 -45.859 -32.501 0.40 43.18 ? 203 GLY D C 1 ? ? +14452 ATOM C C B GLY D 4 193 ? 18.368 -45.864 -32.512 0.60 43.06 ? 203 GLY D C 1 ? ? +14453 ATOM O O A GLY D 4 193 ? 18.764 -46.791 -31.811 0.40 43.44 ? 203 GLY D O 1 ? ? +14454 ATOM O O B GLY D 4 193 ? 18.810 -46.785 -31.828 0.60 43.30 ? 203 GLY D O 1 ? ? +14455 ATOM N N A VAL D 4 194 ? 18.197 -45.939 -33.826 0.40 43.13 ? 204 VAL D N 1 ? ? +14456 ATOM N N B VAL D 4 194 ? 18.171 -45.951 -33.832 0.60 42.98 ? 204 VAL D N 1 ? ? +14457 ATOM C CA A VAL D 4 194 ? 18.438 -47.168 -34.560 0.40 43.40 ? 204 VAL D CA 1 ? ? +14458 ATOM C CA B VAL D 4 194 ? 18.415 -47.177 -34.573 0.60 43.22 ? 204 VAL D CA 1 ? ? +14459 ATOM C C A VAL D 4 194 ? 19.935 -47.380 -34.785 0.40 43.57 ? 204 VAL D C 1 ? ? +14460 ATOM C C B VAL D 4 194 ? 19.918 -47.384 -34.763 0.60 43.38 ? 204 VAL D C 1 ? ? +14461 ATOM O O A VAL D 4 194 ? 20.442 -48.485 -34.621 0.40 43.88 ? 204 VAL D O 1 ? ? +14462 ATOM O O B VAL D 4 194 ? 20.433 -48.463 -34.497 0.60 43.69 ? 204 VAL D O 1 ? ? +14463 ATOM C CB A VAL D 4 194 ? 17.642 -47.154 -35.876 0.40 43.32 ? 204 VAL D CB 1 ? ? +14464 ATOM C CB B VAL D 4 194 ? 17.637 -47.161 -35.900 0.60 43.13 ? 204 VAL D CB 1 ? ? +14465 ATOM C CG1 A VAL D 4 194 ? 18.106 -48.240 -36.820 0.40 43.57 ? 204 VAL D CG1 1 ? ? +14466 ATOM C CG1 B VAL D 4 194 ? 18.085 -48.268 -36.824 0.60 43.39 ? 204 VAL D CG1 1 ? ? +14467 ATOM C CG2 A VAL D 4 194 ? 16.139 -47.276 -35.611 0.40 43.33 ? 204 VAL D CG2 1 ? ? +14468 ATOM C CG2 B VAL D 4 194 ? 16.125 -47.259 -35.652 0.60 43.14 ? 204 VAL D CG2 1 ? ? +14469 ATOM N N A LEU D 4 195 ? 20.641 -46.310 -35.155 0.40 43.36 ? 205 LEU D N 1 ? ? +14470 ATOM N N B LEU D 4 195 ? 20.616 -46.343 -35.218 0.60 43.16 ? 205 LEU D N 1 ? ? +14471 ATOM C CA A LEU D 4 195 ? 22.067 -46.395 -35.421 0.40 43.54 ? 205 LEU D CA 1 ? ? +14472 ATOM C CA B LEU D 4 195 ? 22.050 -46.426 -35.440 0.60 43.34 ? 205 LEU D CA 1 ? ? +14473 ATOM C C A LEU D 4 195 ? 22.824 -46.559 -34.106 0.40 43.75 ? 205 LEU D C 1 ? ? +14474 ATOM C C B LEU D 4 195 ? 22.785 -46.568 -34.107 0.60 43.53 ? 205 LEU D C 1 ? ? +14475 ATOM O O A LEU D 4 195 ? 23.721 -47.386 -34.002 0.40 44.02 ? 205 LEU D O 1 ? ? +14476 ATOM O O B LEU D 4 195 ? 23.721 -47.348 -33.999 0.60 43.78 ? 205 LEU D O 1 ? ? +14477 ATOM C CB A LEU D 4 195 ? 22.548 -45.153 -36.164 0.40 43.28 ? 205 LEU D CB 1 ? ? +14478 ATOM C CB B LEU D 4 195 ? 22.541 -45.192 -36.197 0.60 43.07 ? 205 LEU D CB 1 ? ? +14479 ATOM C CG A LEU D 4 195 ? 22.032 -45.004 -37.579 0.40 43.19 ? 205 LEU D CG 1 ? ? +14480 ATOM C CG B LEU D 4 195 ? 22.007 -45.019 -37.609 0.60 42.97 ? 205 LEU D CG 1 ? ? +14481 ATOM C CD1 A LEU D 4 195 ? 22.752 -43.890 -38.292 0.40 43.03 ? 205 LEU D CD1 1 ? ? +14482 ATOM C CD1 B LEU D 4 195 ? 22.730 -43.903 -38.314 0.60 42.82 ? 205 LEU D CD1 1 ? ? +14483 ATOM C CD2 A LEU D 4 195 ? 22.160 -46.292 -38.346 0.40 43.48 ? 205 LEU D CD2 1 ? ? +14484 ATOM C CD2 B LEU D 4 195 ? 22.111 -46.286 -38.413 0.60 43.25 ? 205 LEU D CD2 1 ? ? +14485 ATOM N N A GLY D 4 196 ? 22.418 -45.776 -33.101 0.40 43.62 ? 206 GLY D N 1 ? ? +14486 ATOM N N B GLY D 4 196 ? 22.310 -45.830 -33.095 0.60 43.40 ? 206 GLY D N 1 ? ? +14487 ATOM C CA A GLY D 4 196 ? 22.905 -45.941 -31.745 0.40 43.82 ? 206 GLY D CA 1 ? ? +14488 ATOM C CA B GLY D 4 196 ? 22.816 -45.931 -31.738 0.60 43.57 ? 206 GLY D CA 1 ? ? +14489 ATOM C C A GLY D 4 196 ? 22.733 -47.380 -31.273 0.40 44.22 ? 206 GLY D C 1 ? ? +14490 ATOM C C B GLY D 4 196 ? 22.603 -47.306 -31.115 0.60 43.95 ? 206 GLY D C 1 ? ? +14491 ATOM O O A GLY D 4 196 ? 23.693 -48.016 -30.838 0.40 44.59 ? 206 GLY D O 1 ? ? +14492 ATOM O O B GLY D 4 196 ? 23.451 -47.792 -30.367 0.60 44.34 ? 206 GLY D O 1 ? ? +14493 ATOM N N A GLY D 4 197 ? 21.505 -47.889 -31.401 0.40 44.19 ? 207 GLY D N 1 ? ? +14494 ATOM N N B GLY D 4 197 ? 21.470 -47.929 -31.436 0.60 43.93 ? 207 GLY D N 1 ? ? +14495 ATOM C CA A GLY D 4 197 ? 21.180 -49.235 -30.966 0.40 44.56 ? 207 GLY D CA 1 ? ? +14496 ATOM C CA B GLY D 4 197 ? 21.183 -49.273 -30.972 0.60 44.28 ? 207 GLY D CA 1 ? ? +14497 ATOM C C A GLY D 4 197 ? 22.054 -50.307 -31.607 0.40 44.87 ? 207 GLY D C 1 ? ? +14498 ATOM C C B GLY D 4 197 ? 22.079 -50.325 -31.615 0.60 44.57 ? 207 GLY D C 1 ? ? +14499 ATOM O O A GLY D 4 197 ? 22.498 -51.232 -30.932 0.40 45.23 ? 207 GLY D O 1 ? ? +14500 ATOM O O B GLY D 4 197 ? 22.543 -51.240 -30.942 0.60 44.92 ? 207 GLY D O 1 ? ? +14501 ATOM N N A ALA D 4 198 ? 22.257 -50.194 -32.921 0.40 44.78 ? 208 ALA D N 1 ? ? +14502 ATOM N N B ALA D 4 198 ? 22.289 -50.194 -32.926 0.60 44.45 ? 208 ALA D N 1 ? ? +14503 ATOM C CA A ALA D 4 198 ? 23.171 -51.071 -33.629 0.40 45.12 ? 208 ALA D CA 1 ? ? +14504 ATOM C CA B ALA D 4 198 ? 23.202 -51.062 -33.650 0.60 44.77 ? 208 ALA D CA 1 ? ? +14505 ATOM C C A ALA D 4 198 ? 24.570 -50.932 -33.026 0.40 45.32 ? 208 ALA D C 1 ? ? +14506 ATOM C C B ALA D 4 198 ? 24.628 -50.914 -33.110 0.60 44.96 ? 208 ALA D C 1 ? ? +14507 ATOM O O A ALA D 4 198 ? 25.242 -51.924 -32.750 0.40 45.70 ? 208 ALA D O 1 ? ? +14508 ATOM O O B ALA D 4 198 ? 25.337 -51.903 -32.952 0.60 45.34 ? 208 ALA D O 1 ? ? +14509 ATOM C CB A ALA D 4 198 ? 23.177 -50.733 -35.111 0.40 44.94 ? 208 ALA D CB 1 ? ? +14510 ATOM C CB B ALA D 4 198 ? 23.151 -50.751 -35.135 0.60 44.60 ? 208 ALA D CB 1 ? ? +14511 ATOM N N A LEU D 4 199 ? 24.976 -49.681 -32.788 0.40 45.10 ? 209 LEU D N 1 ? ? +14512 ATOM N N B LEU D 4 199 ? 25.019 -49.672 -32.801 0.60 44.73 ? 209 LEU D N 1 ? ? +14513 ATOM C CA A LEU D 4 199 ? 26.270 -49.370 -32.209 0.40 45.29 ? 209 LEU D CA 1 ? ? +14514 ATOM C CA B LEU D 4 199 ? 26.309 -49.372 -32.205 0.60 44.92 ? 209 LEU D CA 1 ? ? +14515 ATOM C C A LEU D 4 199 ? 26.444 -50.056 -30.856 0.40 45.65 ? 209 LEU D C 1 ? ? +14516 ATOM C C B LEU D 4 199 ? 26.482 -50.091 -30.869 0.60 45.28 ? 209 LEU D C 1 ? ? +14517 ATOM O O A LEU D 4 199 ? 27.468 -50.688 -30.598 0.40 46.02 ? 209 LEU D O 1 ? ? +14518 ATOM O O B LEU D 4 199 ? 27.500 -50.743 -30.634 0.60 45.66 ? 209 LEU D O 1 ? ? +14519 ATOM C CB A LEU D 4 199 ? 26.403 -47.843 -32.082 0.40 44.95 ? 209 LEU D CB 1 ? ? +14520 ATOM C CB B LEU D 4 199 ? 26.446 -47.849 -32.030 0.60 44.57 ? 209 LEU D CB 1 ? ? +14521 ATOM C CG A LEU D 4 199 ? 27.728 -47.324 -31.526 0.40 45.10 ? 209 LEU D CG 1 ? ? +14522 ATOM C CG B LEU D 4 199 ? 27.802 -47.335 -31.518 0.60 44.73 ? 209 LEU D CG 1 ? ? +14523 ATOM C CD1 A LEU D 4 199 ? 27.894 -45.849 -31.789 0.40 44.76 ? 209 LEU D CD1 1 ? ? +14524 ATOM C CD1 B LEU D 4 199 ? 27.997 -45.873 -31.839 0.60 44.39 ? 209 LEU D CD1 1 ? ? +14525 ATOM C CD2 A LEU D 4 199 ? 27.835 -47.584 -30.041 0.40 45.32 ? 209 LEU D CD2 1 ? ? +14526 ATOM C CD2 B LEU D 4 199 ? 27.951 -47.526 -30.015 0.60 44.95 ? 209 LEU D CD2 1 ? ? +14527 ATOM N N A LEU D 4 200 ? 25.433 -49.935 -29.994 0.40 45.56 ? 210 LEU D N 1 ? ? +14528 ATOM N N B LEU D 4 200 ? 25.483 -49.959 -29.993 0.60 45.20 ? 210 LEU D N 1 ? ? +14529 ATOM C CA A LEU D 4 200 ? 25.487 -50.552 -28.681 0.40 45.90 ? 210 LEU D CA 1 ? ? +14530 ATOM C CA B LEU D 4 200 ? 25.525 -50.591 -28.684 0.60 45.52 ? 210 LEU D CA 1 ? ? +14531 ATOM C C A LEU D 4 200 ? 25.569 -52.069 -28.823 0.40 46.34 ? 210 LEU D C 1 ? ? +14532 ATOM C C B LEU D 4 200 ? 25.576 -52.112 -28.806 0.60 45.97 ? 210 LEU D C 1 ? ? +14533 ATOM O O A LEU D 4 200 ? 26.372 -52.724 -28.161 0.40 46.71 ? 210 LEU D O 1 ? ? +14534 ATOM O O B LEU D 4 200 ? 26.321 -52.780 -28.092 0.60 46.34 ? 210 LEU D O 1 ? ? +14535 ATOM C CB A LEU D 4 200 ? 24.252 -50.155 -27.870 0.40 45.73 ? 210 LEU D CB 1 ? ? +14536 ATOM C CB B LEU D 4 200 ? 24.294 -50.178 -27.881 0.60 45.34 ? 210 LEU D CB 1 ? ? +14537 ATOM C CG A LEU D 4 200 ? 24.278 -48.750 -27.292 0.40 45.41 ? 210 LEU D CG 1 ? ? +14538 ATOM C CG B LEU D 4 200 ? 24.352 -48.793 -27.269 0.60 45.04 ? 210 LEU D CG 1 ? ? +14539 ATOM C CD1 A LEU D 4 200 ? 22.906 -48.348 -26.726 0.40 45.21 ? 210 LEU D CD1 1 ? ? +14540 ATOM C CD1 B LEU D 4 200 ? 22.969 -48.339 -26.752 0.60 44.81 ? 210 LEU D CD1 1 ? ? +14541 ATOM C CD2 A LEU D 4 200 ? 25.331 -48.637 -26.223 0.40 45.66 ? 210 LEU D CD2 1 ? ? +14542 ATOM C CD2 B LEU D 4 200 ? 25.340 -48.755 -26.144 0.60 45.31 ? 210 LEU D CD2 1 ? ? +14543 ATOM N N A CYS D 4 201 ? 24.716 -52.615 -29.694 0.40 46.30 ? 211 CYS D N 1 ? ? +14544 ATOM N N B CYS D 4 201 ? 24.747 -52.646 -29.708 0.60 45.92 ? 211 CYS D N 1 ? ? +14545 ATOM C CA A CYS D 4 201 ? 24.685 -54.044 -29.951 0.40 46.69 ? 211 CYS D CA 1 ? ? +14546 ATOM C CA B CYS D 4 201 ? 24.725 -54.069 -30.000 0.60 46.31 ? 211 CYS D CA 1 ? ? +14547 ATOM C C A CYS D 4 201 ? 26.103 -54.535 -30.243 0.40 47.02 ? 211 CYS D C 1 ? ? +14548 ATOM C C B CYS D 4 201 ? 26.143 -54.546 -30.319 0.60 46.63 ? 211 CYS D C 1 ? ? +14549 ATOM O O A CYS D 4 201 ? 26.608 -55.432 -29.575 0.40 47.42 ? 211 CYS D O 1 ? ? +14550 ATOM O O B CYS D 4 201 ? 26.653 -55.460 -29.684 0.60 47.03 ? 211 CYS D O 1 ? ? +14551 ATOM C CB A CYS D 4 201 ? 23.728 -54.356 -31.098 0.40 46.53 ? 211 CYS D CB 1 ? ? +14552 ATOM C CB B CYS D 4 201 ? 23.755 -54.353 -31.143 0.60 46.13 ? 211 CYS D CB 1 ? ? +14553 ATOM S SG A CYS D 4 201 ? 23.358 -56.114 -31.303 0.40 47.00 ? 211 CYS D SG 1 ? ? +14554 ATOM S SG B CYS D 4 201 ? 23.395 -56.101 -31.406 0.60 46.58 ? 211 CYS D SG 1 ? ? +14555 ATOM N N A ALA D 4 202 ? 26.738 -53.923 -31.244 0.40 46.87 ? 212 ALA D N 1 ? ? +14556 ATOM N N B ALA D 4 202 ? 26.774 -53.896 -31.300 0.60 46.48 ? 212 ALA D N 1 ? ? +14557 ATOM C CA A ALA D 4 202 ? 28.077 -54.303 -31.665 0.40 47.21 ? 212 ALA D CA 1 ? ? +14558 ATOM C CA B ALA D 4 202 ? 28.119 -54.247 -31.732 0.60 46.83 ? 212 ALA D CA 1 ? ? +14559 ATOM C C A ALA D 4 202 ? 29.109 -54.163 -30.548 0.40 47.48 ? 212 ALA D C 1 ? ? +14560 ATOM C C B ALA D 4 202 ? 29.157 -54.121 -30.618 0.60 47.10 ? 212 ALA D C 1 ? ? +14561 ATOM O O A ALA D 4 202 ? 29.889 -55.077 -30.301 0.40 47.92 ? 212 ALA D O 1 ? ? +14562 ATOM O O B ALA D 4 202 ? 29.944 -55.035 -30.396 0.60 47.54 ? 212 ALA D O 1 ? ? +14563 ATOM C CB A ALA D 4 202 ? 28.502 -53.465 -32.864 0.40 46.93 ? 212 ALA D CB 1 ? ? +14564 ATOM C CB B ALA D 4 202 ? 28.530 -53.378 -32.913 0.60 46.52 ? 212 ALA D CB 1 ? ? +14565 ATOM N N A ILE D 4 203 ? 29.095 -53.015 -29.866 0.40 47.25 ? 213 ILE D N 1 ? ? +14566 ATOM N N B ILE D 4 203 ? 29.130 -52.993 -29.905 0.60 46.90 ? 213 ILE D N 1 ? ? +14567 ATOM C CA A ILE D 4 203 ? 30.149 -52.682 -28.926 0.40 47.51 ? 213 ILE D CA 1 ? ? +14568 ATOM C CA B ILE D 4 203 ? 30.178 -52.670 -28.954 0.60 47.19 ? 213 ILE D CA 1 ? ? +14569 ATOM C C A ILE D 4 203 ? 30.039 -53.498 -27.641 0.40 47.89 ? 213 ILE D C 1 ? ? +14570 ATOM C C B ILE D 4 203 ? 30.092 -53.505 -27.678 0.60 47.60 ? 213 ILE D C 1 ? ? +14571 ATOM O O A ILE D 4 203 ? 31.053 -53.847 -27.034 0.40 48.28 ? 213 ILE D O 1 ? ? +14572 ATOM O O B ILE D 4 203 ? 31.123 -53.852 -27.100 0.60 47.98 ? 213 ILE D O 1 ? ? +14573 ATOM C CB A ILE D 4 203 ? 30.174 -51.161 -28.648 0.40 47.14 ? 213 ILE D CB 1 ? ? +14574 ATOM C CB B ILE D 4 203 ? 30.187 -51.146 -28.659 0.60 46.81 ? 213 ILE D CB 1 ? ? +14575 ATOM C CG1 A ILE D 4 203 ? 31.577 -50.732 -28.194 0.40 47.41 ? 213 ILE D CG1 1 ? ? +14576 ATOM C CG1 B ILE D 4 203 ? 31.580 -50.703 -28.177 0.60 47.07 ? 213 ILE D CG1 1 ? ? +14577 ATOM C CG2 A ILE D 4 203 ? 29.092 -50.742 -27.654 0.40 46.91 ? 213 ILE D CG2 1 ? ? +14578 ATOM C CG2 B ILE D 4 203 ? 29.089 -50.740 -27.679 0.60 46.58 ? 213 ILE D CG2 1 ? ? +14579 ATOM C CD1 A ILE D 4 203 ? 31.746 -49.266 -28.099 0.40 47.09 ? 213 ILE D CD1 1 ? ? +14580 ATOM C CD1 B ILE D 4 203 ? 31.726 -49.225 -28.062 0.60 46.75 ? 213 ILE D CD1 1 ? ? +14581 ATOM N N A HIS D 4 204 ? 28.806 -53.807 -27.234 0.40 47.79 ? 214 HIS D N 1 ? ? +14582 ATOM N N B HIS D 4 204 ? 28.867 -53.828 -27.246 0.60 47.55 ? 214 HIS D N 1 ? ? +14583 ATOM C CA A HIS D 4 204 ? 28.595 -54.649 -26.069 0.40 48.19 ? 214 HIS D CA 1 ? ? +14584 ATOM C CA B HIS D 4 204 ? 28.673 -54.674 -26.079 0.60 47.99 ? 214 HIS D CA 1 ? ? +14585 ATOM C C A HIS D 4 204 ? 29.086 -56.067 -26.355 0.40 48.68 ? 214 HIS D C 1 ? ? +14586 ATOM C C B HIS D 4 204 ? 29.114 -56.105 -26.375 0.60 48.45 ? 214 HIS D C 1 ? ? +14587 ATOM O O A HIS D 4 204 ? 29.807 -56.658 -25.553 0.40 49.13 ? 214 HIS D O 1 ? ? +14588 ATOM O O B HIS D 4 204 ? 29.801 -56.728 -25.568 0.60 48.90 ? 214 HIS D O 1 ? ? +14589 ATOM C CB A HIS D 4 204 ? 27.115 -54.674 -25.659 0.40 48.06 ? 214 HIS D CB 1 ? ? +14590 ATOM C CB B HIS D 4 204 ? 27.203 -54.661 -25.610 0.60 47.89 ? 214 HIS D CB 1 ? ? +14591 ATOM C CG A HIS D 4 204 ? 26.833 -55.525 -24.457 0.40 48.50 ? 214 HIS D CG 1 ? ? +14592 ATOM C CG B HIS D 4 204 ? 26.933 -55.525 -24.414 0.60 48.41 ? 214 HIS D CG 1 ? ? +14593 ATOM N ND1 A HIS D 4 204 ? 27.518 -55.345 -23.270 0.40 48.76 ? 214 HIS D ND1 1 ? ? +14594 ATOM N ND1 B HIS D 4 204 ? 27.598 -55.331 -23.218 0.60 48.69 ? 214 HIS D ND1 1 ? ? +14595 ATOM C CD2 A HIS D 4 204 ? 25.955 -56.541 -24.305 0.40 48.78 ? 214 HIS D CD2 1 ? ? +14596 ATOM C CD2 B HIS D 4 204 ? 26.080 -56.563 -24.276 0.60 48.74 ? 214 HIS D CD2 1 ? ? +14597 ATOM C CE1 A HIS D 4 204 ? 27.036 -56.251 -22.429 0.40 49.17 ? 214 HIS D CE1 1 ? ? +14598 ATOM C CE1 B HIS D 4 204 ? 27.135 -56.257 -22.386 0.60 49.13 ? 214 HIS D CE1 1 ? ? +14599 ATOM N NE2 A HIS D 4 204 ? 26.085 -56.993 -23.013 0.40 49.22 ? 214 HIS D NE2 1 ? ? +14600 ATOM N NE2 B HIS D 4 204 ? 26.210 -57.022 -22.983 0.60 49.26 ? 214 HIS D NE2 1 ? ? +14601 ATOM N N A GLY D 4 205 ? 28.675 -56.601 -27.509 0.40 48.57 ? 215 GLY D N 1 ? ? +14602 ATOM N N B GLY D 4 205 ? 28.700 -56.616 -27.539 0.60 48.33 ? 215 GLY D N 1 ? ? +14603 ATOM C CA A GLY D 4 205 ? 28.996 -57.967 -27.881 0.40 49.02 ? 215 GLY D CA 1 ? ? +14604 ATOM C CA B GLY D 4 205 ? 29.038 -57.964 -27.955 0.60 48.76 ? 215 GLY D CA 1 ? ? +14605 ATOM C C A GLY D 4 205 ? 30.497 -58.170 -28.052 0.40 49.35 ? 215 GLY D C 1 ? ? +14606 ATOM C C B GLY D 4 205 ? 30.542 -58.157 -28.125 0.60 49.09 ? 215 GLY D C 1 ? ? +14607 ATOM O O A GLY D 4 205 ? 31.045 -59.198 -27.666 0.40 49.88 ? 215 GLY D O 1 ? ? +14608 ATOM O O B GLY D 4 205 ? 31.086 -59.196 -27.763 0.60 49.61 ? 215 GLY D O 1 ? ? +14609 ATOM N N A ALA D 4 206 ? 31.150 -57.178 -28.657 0.40 49.05 ? 216 ALA D N 1 ? ? +14610 ATOM N N B ALA D 4 206 ? 31.194 -57.148 -28.706 0.60 48.77 ? 216 ALA D N 1 ? ? +14611 ATOM C CA A ALA D 4 206 ? 32.575 -57.248 -28.902 0.40 49.34 ? 216 ALA D CA 1 ? ? +14612 ATOM C CA B ALA D 4 206 ? 32.622 -57.189 -28.948 0.60 49.05 ? 216 ALA D CA 1 ? ? +14613 ATOM C C A ALA D 4 206 ? 33.310 -57.154 -27.570 0.40 49.65 ? 216 ALA D C 1 ? ? +14614 ATOM C C B ALA D 4 206 ? 33.372 -57.082 -27.624 0.60 49.37 ? 216 ALA D C 1 ? ? +14615 ATOM O O A ALA D 4 206 ? 34.251 -57.905 -27.328 0.40 50.18 ? 216 ALA D O 1 ? ? +14616 ATOM O O B ALA D 4 206 ? 34.366 -57.775 -27.424 0.60 49.89 ? 216 ALA D O 1 ? ? +14617 ATOM C CB A ALA D 4 206 ? 33.003 -56.142 -29.848 0.40 48.95 ? 216 ALA D CB 1 ? ? +14618 ATOM C CB B ALA D 4 206 ? 33.027 -56.075 -29.892 0.60 48.66 ? 216 ALA D CB 1 ? ? +14619 ATOM N N A THR D 4 207 ? 32.851 -56.242 -26.704 0.40 49.33 ? 217 THR D N 1 ? ? +14620 ATOM N N B THR D 4 207 ? 32.874 -56.224 -26.722 0.60 49.06 ? 217 THR D N 1 ? ? +14621 ATOM C CA A THR D 4 207 ? 33.506 -55.993 -25.431 0.40 49.59 ? 217 THR D CA 1 ? ? +14622 ATOM C CA B THR D 4 207 ? 33.518 -55.997 -25.440 0.60 49.32 ? 217 THR D CA 1 ? ? +14623 ATOM C C A THR D 4 207 ? 33.455 -57.215 -24.523 0.40 50.15 ? 217 THR D C 1 ? ? +14624 ATOM C C B THR D 4 207 ? 33.498 -57.257 -24.586 0.60 49.92 ? 217 THR D C 1 ? ? +14625 ATOM O O A THR D 4 207 ? 34.421 -57.518 -23.827 0.40 50.65 ? 217 THR D O 1 ? ? +14626 ATOM O O B THR D 4 207 ? 34.526 -57.652 -24.043 0.60 50.45 ? 217 THR D O 1 ? ? +14627 ATOM C CB A THR D 4 207 ? 32.895 -54.799 -24.708 0.40 49.15 ? 217 THR D CB 1 ? ? +14628 ATOM C CB B THR D 4 207 ? 32.875 -54.845 -24.677 0.60 48.89 ? 217 THR D CB 1 ? ? +14629 ATOM O OG1 A THR D 4 207 ? 33.232 -53.604 -25.407 0.40 48.75 ? 217 THR D OG1 1 ? ? +14630 ATOM O OG1 B THR D 4 207 ? 33.009 -53.644 -25.431 0.60 48.42 ? 217 THR D OG1 1 ? ? +14631 ATOM C CG2 A THR D 4 207 ? 33.375 -54.689 -23.276 0.40 49.46 ? 217 THR D CG2 1 ? ? +14632 ATOM C CG2 B THR D 4 207 ? 33.495 -54.636 -23.313 0.60 49.19 ? 217 THR D CG2 1 ? ? +14633 ATOM N N A VAL D 4 208 ? 32.313 -57.903 -24.526 0.40 50.13 ? 218 VAL D N 1 ? ? +14634 ATOM N N B VAL D 4 208 ? 32.320 -57.870 -24.464 0.60 49.89 ? 218 VAL D N 1 ? ? +14635 ATOM C CA A VAL D 4 208 ? 32.159 -59.112 -23.738 0.40 50.66 ? 218 VAL D CA 1 ? ? +14636 ATOM C CA B VAL D 4 208 ? 32.176 -59.109 -23.718 0.60 50.44 ? 218 VAL D CA 1 ? ? +14637 ATOM C C A VAL D 4 208 ? 33.111 -60.179 -24.263 0.40 51.22 ? 218 VAL D C 1 ? ? +14638 ATOM C C B VAL D 4 208 ? 33.145 -60.149 -24.267 0.60 50.99 ? 218 VAL D C 1 ? ? +14639 ATOM O O A VAL D 4 208 ? 33.804 -60.830 -23.486 0.40 51.76 ? 218 VAL D O 1 ? ? +14640 ATOM O O B VAL D 4 208 ? 33.879 -60.771 -23.504 0.60 51.53 ? 218 VAL D O 1 ? ? +14641 ATOM C CB A VAL D 4 208 ? 30.697 -59.612 -23.733 0.40 50.50 ? 218 VAL D CB 1 ? ? +14642 ATOM C CB B VAL D 4 208 ? 30.712 -59.626 -23.738 0.60 50.28 ? 218 VAL D CB 1 ? ? +14643 ATOM C CG1 A VAL D 4 208 ? 30.606 -61.058 -23.268 0.40 51.09 ? 218 VAL D CG1 1 ? ? +14644 ATOM C CG1 B VAL D 4 208 ? 30.615 -61.072 -23.272 0.60 50.87 ? 218 VAL D CG1 1 ? ? +14645 ATOM C CG2 A VAL D 4 208 ? 29.824 -58.707 -22.881 0.40 50.14 ? 218 VAL D CG2 1 ? ? +14646 ATOM C CG2 B VAL D 4 208 ? 29.820 -58.728 -22.900 0.60 49.93 ? 218 VAL D CG2 1 ? ? +14647 ATOM N N A GLU D 4 209 ? 33.139 -60.341 -25.588 0.40 51.12 ? 219 GLU D N 1 ? ? +14648 ATOM N N B GLU D 4 209 ? 33.140 -60.318 -25.591 0.60 50.91 ? 219 GLU D N 1 ? ? +14649 ATOM C CA A GLU D 4 209 ? 33.911 -61.402 -26.210 0.40 51.72 ? 219 GLU D CA 1 ? ? +14650 ATOM C CA B GLU D 4 209 ? 33.924 -61.360 -26.231 0.60 51.54 ? 219 GLU D CA 1 ? ? +14651 ATOM C C A GLU D 4 209 ? 35.423 -61.195 -26.111 0.40 52.09 ? 219 GLU D C 1 ? ? +14652 ATOM C C B GLU D 4 209 ? 35.440 -61.174 -26.132 0.60 51.90 ? 219 GLU D C 1 ? ? +14653 ATOM O O A GLU D 4 209 ? 36.185 -62.138 -26.307 0.40 52.61 ? 219 GLU D O 1 ? ? +14654 ATOM O O B GLU D 4 209 ? 36.183 -62.129 -26.335 0.60 52.41 ? 219 GLU D O 1 ? ? +14655 ATOM C CB A GLU D 4 209 ? 33.496 -61.562 -27.676 0.40 51.48 ? 219 GLU D CB 1 ? ? +14656 ATOM C CB B GLU D 4 209 ? 33.518 -61.488 -27.705 0.60 51.34 ? 219 GLU D CB 1 ? ? +14657 ATOM C CG A GLU D 4 209 ? 32.264 -62.433 -27.842 0.40 51.55 ? 219 GLU D CG 1 ? ? +14658 ATOM C CG B GLU D 4 209 ? 32.282 -62.346 -27.903 0.60 51.42 ? 219 GLU D CG 1 ? ? +14659 ATOM C CD A GLU D 4 209 ? 32.466 -63.855 -27.359 0.40 52.24 ? 219 GLU D CD 1 ? ? +14660 ATOM C CD B GLU D 4 209 ? 32.507 -63.799 -27.546 0.60 52.14 ? 219 GLU D CD 1 ? ? +14661 ATOM O OE1 A GLU D 4 209 ? 33.198 -64.613 -28.034 0.40 52.66 ? 219 GLU D OE1 1 ? ? +14662 ATOM O OE1 B GLU D 4 209 ? 33.197 -64.496 -28.320 0.60 52.56 ? 219 GLU D OE1 1 ? ? +14663 ATOM O OE2 A GLU D 4 209 ? 31.923 -64.202 -26.286 0.40 52.44 ? 219 GLU D OE2 1 ? ? +14664 ATOM O OE2 B GLU D 4 209 ? 32.034 -64.231 -26.470 0.60 52.40 ? 219 GLU D OE2 1 ? ? +14665 ATOM N N A ASN D 4 210 ? 35.844 -59.968 -25.787 0.40 51.88 ? 220 ASN D N 1 ? ? +14666 ATOM N N B ASN D 4 210 ? 35.888 -59.956 -25.809 0.60 51.69 ? 220 ASN D N 1 ? ? +14667 ATOM C CA A ASN D 4 210 ? 37.255 -59.632 -25.703 0.40 52.26 ? 220 ASN D CA 1 ? ? +14668 ATOM C CA B ASN D 4 210 ? 37.307 -59.661 -25.715 0.60 52.08 ? 220 ASN D CA 1 ? ? +14669 ATOM C C A ASN D 4 210 ? 37.670 -59.223 -24.293 0.40 52.56 ? 220 ASN D C 1 ? ? +14670 ATOM C C B ASN D 4 210 ? 37.775 -59.354 -24.294 0.60 52.46 ? 220 ASN D C 1 ? ? +14671 ATOM O O A ASN D 4 210 ? 38.749 -58.659 -24.102 0.40 52.78 ? 220 ASN D O 1 ? ? +14672 ATOM O O B ASN D 4 210 ? 38.960 -59.071 -24.082 0.60 52.83 ? 220 ASN D O 1 ? ? +14673 ATOM C CB A ASN D 4 210 ? 37.598 -58.533 -26.689 0.40 51.81 ? 220 ASN D CB 1 ? ? +14674 ATOM C CB B ASN D 4 210 ? 37.651 -58.533 -26.669 0.60 51.61 ? 220 ASN D CB 1 ? ? +14675 ATOM C CG A ASN D 4 210 ? 37.612 -59.029 -28.103 0.40 51.78 ? 220 ASN D CG 1 ? ? +14676 ATOM C CG B ASN D 4 210 ? 37.624 -59.004 -28.095 0.60 51.55 ? 220 ASN D CG 1 ? ? +14677 ATOM O OD1 A ASN D 4 210 ? 38.558 -59.693 -28.544 0.40 52.23 ? 220 ASN D OD1 1 ? ? +14678 ATOM O OD1 B ASN D 4 210 ? 38.533 -59.709 -28.551 0.60 51.98 ? 220 ASN D OD1 1 ? ? +14679 ATOM N ND2 A ASN D 4 210 ? 36.559 -58.720 -28.844 0.40 51.26 ? 220 ASN D ND2 1 ? ? +14680 ATOM N ND2 B ASN D 4 210 ? 36.578 -58.644 -28.827 0.60 51.00 ? 220 ASN D ND2 1 ? ? +14681 ATOM N N A THR D 4 211 ? 36.812 -59.539 -23.316 0.40 52.64 ? 221 THR D N 1 ? ? +14682 ATOM N N B THR D 4 211 ? 36.852 -59.470 -23.326 0.60 52.45 ? 221 THR D N 1 ? ? +14683 ATOM C CA A THR D 4 211 ? 37.160 -59.402 -21.911 0.40 53.03 ? 221 THR D CA 1 ? ? +14684 ATOM C CA B THR D 4 211 ? 37.198 -59.401 -21.915 0.60 52.89 ? 221 THR D CA 1 ? ? +14685 ATOM C C A THR D 4 211 ? 36.845 -60.695 -21.166 0.40 53.64 ? 221 THR D C 1 ? ? +14686 ATOM C C B THR D 4 211 ? 36.845 -60.692 -21.181 0.60 53.52 ? 221 THR D C 1 ? ? +14687 ATOM O O A THR D 4 211 ? 36.818 -60.729 -19.940 0.40 53.88 ? 221 THR D O 1 ? ? +14688 ATOM O O B THR D 4 211 ? 36.795 -60.720 -19.956 0.60 53.74 ? 221 THR D O 1 ? ? +14689 ATOM C CB A THR D 4 211 ? 36.481 -58.179 -21.311 0.40 52.53 ? 221 THR D CB 1 ? ? +14690 ATOM C CB B THR D 4 211 ? 36.564 -58.172 -21.281 0.60 52.41 ? 221 THR D CB 1 ? ? +14691 ATOM O OG1 A THR D 4 211 ? 35.071 -58.250 -21.530 0.40 52.11 ? 221 THR D OG1 1 ? ? +14692 ATOM O OG1 B THR D 4 211 ? 35.147 -58.190 -21.483 0.60 51.99 ? 221 THR D OG1 1 ? ? +14693 ATOM C CG2 A THR D 4 211 ? 37.025 -56.884 -21.903 0.40 52.13 ? 221 THR D CG2 1 ? ? +14694 ATOM C CG2 B THR D 4 211 ? 37.152 -56.877 -21.847 0.60 52.04 ? 221 THR D CG2 1 ? ? +14695 ATOM N N A LEU D 4 212 ? 36.650 -61.769 -21.934 0.40 54.01 ? 222 LEU D N 1 ? ? +14696 ATOM N N B LEU D 4 212 ? 36.659 -61.772 -21.944 0.60 53.92 ? 222 LEU D N 1 ? ? +14697 ATOM C CA A LEU D 4 212 ? 36.418 -63.089 -21.378 0.40 54.75 ? 222 LEU D CA 1 ? ? +14698 ATOM C CA B LEU D 4 212 ? 36.398 -63.084 -21.380 0.60 54.69 ? 222 LEU D CA 1 ? ? +14699 ATOM C C A LEU D 4 212 ? 37.507 -63.512 -20.400 0.40 55.70 ? 222 LEU D C 1 ? ? +14700 ATOM C C B LEU D 4 212 ? 37.496 -63.525 -20.422 0.60 55.71 ? 222 LEU D C 1 ? ? +14701 ATOM O O A LEU D 4 212 ? 38.695 -63.273 -20.626 0.40 55.95 ? 222 LEU D O 1 ? ? +14702 ATOM O O B LEU D 4 212 ? 38.683 -63.298 -20.670 0.60 55.96 ? 222 LEU D O 1 ? ? +14703 ATOM C CB A LEU D 4 212 ? 36.365 -64.124 -22.502 0.40 54.90 ? 222 LEU D CB 1 ? ? +14704 ATOM C CB B LEU D 4 212 ? 36.305 -64.133 -22.494 0.60 54.86 ? 222 LEU D CB 1 ? ? +14705 ATOM C CG A LEU D 4 212 ? 35.223 -63.986 -23.483 0.40 54.33 ? 222 LEU D CG 1 ? ? +14706 ATOM C CG B LEU D 4 212 ? 35.172 -63.974 -23.487 0.60 54.29 ? 222 LEU D CG 1 ? ? +14707 ATOM C CD1 A LEU D 4 212 ? 35.254 -65.092 -24.492 0.40 54.60 ? 222 LEU D CD1 1 ? ? +14708 ATOM C CD1 B LEU D 4 212 ? 35.211 -65.052 -24.513 0.60 54.55 ? 222 LEU D CD1 1 ? ? +14709 ATOM C CD2 A LEU D 4 212 ? 33.881 -63.980 -22.771 0.40 54.13 ? 222 LEU D CD2 1 ? ? +14710 ATOM C CD2 B LEU D 4 212 ? 33.811 -63.988 -22.799 0.60 54.11 ? 222 LEU D CD2 1 ? ? +14711 ATOM N N A PHE D 4 213 ? 37.072 -64.160 -19.317 0.40 56.34 ? 223 PHE D N 1 ? ? +14712 ATOM N N B PHE D 4 213 ? 37.074 -64.169 -19.330 0.60 56.39 ? 223 PHE D N 1 ? ? +14713 ATOM C CA A PHE D 4 213 ? 37.968 -64.907 -18.455 0.40 57.35 ? 223 PHE D CA 1 ? ? +14714 ATOM C CA B PHE D 4 213 ? 37.977 -64.918 -18.479 0.60 57.43 ? 223 PHE D CA 1 ? ? +14715 ATOM C C A PHE D 4 213 ? 38.300 -66.239 -19.117 0.40 58.13 ? 223 PHE D C 1 ? ? +14716 ATOM C C B PHE D 4 213 ? 38.316 -66.241 -19.156 0.60 58.27 ? 223 PHE D C 1 ? ? +14717 ATOM O O A PHE D 4 213 ? 37.438 -66.849 -19.749 0.40 58.00 ? 223 PHE D O 1 ? ? +14718 ATOM O O B PHE D 4 213 ? 37.470 -66.821 -19.837 0.60 58.11 ? 223 PHE D O 1 ? ? +14719 ATOM C CB A PHE D 4 213 ? 37.331 -65.153 -17.090 0.40 57.58 ? 223 PHE D CB 1 ? ? +14720 ATOM C CB B PHE D 4 213 ? 37.346 -65.179 -17.115 0.60 57.69 ? 223 PHE D CB 1 ? ? +14721 ATOM C CG A PHE D 4 213 ? 37.256 -63.938 -16.205 0.40 57.29 ? 223 PHE D CG 1 ? ? +14722 ATOM C CG B PHE D 4 213 ? 37.242 -63.959 -16.239 0.60 57.41 ? 223 PHE D CG 1 ? ? +14723 ATOM C CD1 A PHE D 4 213 ? 38.407 -63.323 -15.745 0.40 57.53 ? 223 PHE D CD1 1 ? ? +14724 ATOM C CD1 B PHE D 4 213 ? 38.380 -63.307 -15.793 0.60 57.65 ? 223 PHE D CD1 1 ? ? +14725 ATOM C CD2 A PHE D 4 213 ? 36.036 -63.419 -15.817 0.40 56.84 ? 223 PHE D CD2 1 ? ? +14726 ATOM C CD2 B PHE D 4 213 ? 36.009 -63.473 -15.845 0.60 56.99 ? 223 PHE D CD2 1 ? ? +14727 ATOM C CE1 A PHE D 4 213 ? 38.336 -62.209 -14.921 0.40 57.26 ? 223 PHE D CE1 1 ? ? +14728 ATOM C CE1 B PHE D 4 213 ? 38.282 -62.188 -14.975 0.60 57.37 ? 223 PHE D CE1 1 ? ? +14729 ATOM C CE2 A PHE D 4 213 ? 35.969 -62.303 -14.998 0.40 56.58 ? 223 PHE D CE2 1 ? ? +14730 ATOM C CE2 B PHE D 4 213 ? 35.916 -62.352 -15.033 0.60 56.73 ? 223 PHE D CE2 1 ? ? +14731 ATOM C CZ A PHE D 4 213 ? 37.118 -61.705 -14.554 0.40 56.78 ? 223 PHE D CZ 1 ? ? +14732 ATOM C CZ B PHE D 4 213 ? 37.051 -61.717 -14.602 0.60 56.91 ? 223 PHE D CZ 1 ? ? +14733 ATOM N N A GLN D 4 214 ? 39.556 -66.678 -18.963 0.40 59.08 ? 224 GLN D N 1 ? ? +14734 ATOM N N B GLN D 4 214 ? 39.557 -66.706 -18.958 0.60 59.26 ? 224 GLN D N 1 ? ? +14735 ATOM C CA A GLN D 4 214 ? 39.961 -67.996 -19.418 0.40 59.94 ? 224 GLN D CA 1 ? ? +14736 ATOM C CA B GLN D 4 214 ? 39.960 -68.022 -19.422 0.60 60.15 ? 224 GLN D CA 1 ? ? +14737 ATOM C C A GLN D 4 214 ? 39.434 -69.033 -18.435 0.40 60.77 ? 224 GLN D C 1 ? ? +14738 ATOM C C B GLN D 4 214 ? 39.443 -69.058 -18.433 0.60 60.97 ? 224 GLN D C 1 ? ? +14739 ATOM O O A GLN D 4 214 ? 39.969 -69.188 -17.343 0.40 61.29 ? 224 GLN D O 1 ? ? +14740 ATOM O O B GLN D 4 214 ? 40.025 -69.256 -17.374 0.60 61.50 ? 224 GLN D O 1 ? ? +14741 ATOM C CB A GLN D 4 214 ? 41.482 -68.124 -19.540 0.40 60.47 ? 224 GLN D CB 1 ? ? +14742 ATOM C CB B GLN D 4 214 ? 41.478 -68.137 -19.577 0.60 60.72 ? 224 GLN D CB 1 ? ? +14743 ATOM C CG A GLN D 4 214 ? 41.896 -69.507 -20.002 0.40 61.14 ? 224 GLN D CG 1 ? ? +14744 ATOM C CG B GLN D 4 214 ? 41.901 -69.516 -20.052 0.60 61.44 ? 224 GLN D CG 1 ? ? +14745 ATOM C CD A GLN D 4 214 ? 43.385 -69.739 -19.915 0.40 61.79 ? 224 GLN D CD 1 ? ? +14746 ATOM C CD B GLN D 4 214 ? 43.322 -69.560 -20.563 0.60 61.88 ? 224 GLN D CD 1 ? ? +14747 ATOM O OE1 A GLN D 4 214 ? 44.130 -68.993 -19.267 0.40 61.81 ? 224 GLN D OE1 1 ? ? +14748 ATOM O OE1 B GLN D 4 214 ? 43.985 -68.536 -20.744 0.60 61.59 ? 224 GLN D OE1 1 ? ? +14749 ATOM N NE2 A GLN D 4 214 ? 43.835 -70.810 -20.551 0.40 62.30 ? 224 GLN D NE2 1 ? ? +14750 ATOM N NE2 B GLN D 4 214 ? 43.798 -70.769 -20.833 0.60 62.56 ? 224 GLN D NE2 1 ? ? +14751 ATOM N N A ASP D 4 215 ? 38.371 -69.729 -18.839 0.40 61.09 ? 225 ASP D N 1 ? ? +14752 ATOM N N B ASP D 4 215 ? 38.333 -69.700 -18.796 0.60 61.27 ? 225 ASP D N 1 ? ? +14753 ATOM C CA A ASP D 4 215 ? 37.706 -70.679 -17.967 0.40 61.97 ? 225 ASP D CA 1 ? ? +14754 ATOM C CA B ASP D 4 215 ? 37.692 -70.683 -17.942 0.60 62.16 ? 225 ASP D CA 1 ? ? +14755 ATOM C C A ASP D 4 215 ? 37.879 -72.096 -18.509 0.40 63.05 ? 225 ASP D C 1 ? ? +14756 ATOM C C B ASP D 4 215 ? 37.824 -72.085 -18.531 0.60 63.21 ? 225 ASP D C 1 ? ? +14757 ATOM O O A ASP D 4 215 ? 37.478 -73.066 -17.870 0.40 63.73 ? 225 ASP D O 1 ? ? +14758 ATOM O O B ASP D 4 215 ? 37.309 -73.048 -17.966 0.60 63.92 ? 225 ASP D O 1 ? ? +14759 ATOM C CB A ASP D 4 215 ? 36.223 -70.300 -17.815 0.40 61.37 ? 225 ASP D CB 1 ? ? +14760 ATOM C CB B ASP D 4 215 ? 36.220 -70.288 -17.734 0.60 61.56 ? 225 ASP D CB 1 ? ? +14761 ATOM C CG A ASP D 4 215 ? 35.986 -69.144 -16.864 0.40 60.99 ? 225 ASP D CG 1 ? ? +14762 ATOM C CG B ASP D 4 215 ? 36.039 -69.097 -16.815 0.60 61.17 ? 225 ASP D CG 1 ? ? +14763 ATOM O OD1 A ASP D 4 215 ? 36.872 -68.874 -16.027 0.40 61.33 ? 225 ASP D OD1 1 ? ? +14764 ATOM O OD1 B ASP D 4 215 ? 36.952 -68.822 -16.012 0.60 61.48 ? 225 ASP D OD1 1 ? ? +14765 ATOM O OD2 A ASP D 4 215 ? 34.922 -68.500 -16.966 0.40 60.44 ? 225 ASP D OD2 1 ? ? +14766 ATOM O OD2 B ASP D 4 215 ? 34.989 -68.429 -16.907 0.60 60.61 ? 225 ASP D OD2 1 ? ? +14767 ATOM N N A GLY D 4 216 ? 38.504 -72.202 -19.687 0.40 63.48 ? 226 GLY D N 1 ? ? +14768 ATOM N N B GLY D 4 216 ? 38.535 -72.193 -19.661 0.60 63.62 ? 226 GLY D N 1 ? ? +14769 ATOM C CA A GLY D 4 216 ? 38.819 -73.493 -20.277 0.40 64.46 ? 226 GLY D CA 1 ? ? +14770 ATOM C CA B GLY D 4 216 ? 38.820 -73.478 -20.281 0.60 64.54 ? 226 GLY D CA 1 ? ? +14771 ATOM C C A GLY D 4 216 ? 40.174 -73.476 -20.977 0.40 65.12 ? 226 GLY D C 1 ? ? +14772 ATOM C C B GLY D 4 216 ? 40.177 -73.472 -20.980 0.60 65.15 ? 226 GLY D C 1 ? ? +14773 ATOM O O A GLY D 4 216 ? 40.809 -72.427 -21.059 0.40 64.80 ? 226 GLY D O 1 ? ? +14774 ATOM O O B GLY D 4 216 ? 40.817 -72.425 -21.063 0.60 64.80 ? 226 GLY D O 1 ? ? +14775 ATOM N N . GLU D 4 217 ? 40.593 -74.641 -21.484 1.00 66.25 ? 227 GLU D N 1 ? ? +14776 ATOM C CA . GLU D 4 217 ? 41.887 -74.790 -22.146 1.00 67.38 ? 227 GLU D CA 1 ? ? +14777 ATOM C CB . GLU D 4 217 ? 42.516 -76.150 -21.812 1.00 69.37 ? 227 GLU D CB 1 ? ? +14778 ATOM C CG . GLU D 4 217 ? 42.675 -76.430 -20.334 1.00 71.16 ? 227 GLU D CG 1 ? ? +14779 ATOM C CD . GLU D 4 217 ? 43.861 -75.745 -19.701 1.00 72.95 ? 227 GLU D CD 1 ? ? +14780 ATOM O OE1 . GLU D 4 217 ? 44.998 -76.020 -20.150 1.00 74.69 ? 227 GLU D OE1 1 ? ? +14781 ATOM O OE2 . GLU D 4 217 ? 43.669 -74.969 -18.735 1.00 74.35 ? 227 GLU D OE2 1 ? ? +14782 ATOM C C . GLU D 4 217 ? 41.798 -74.659 -23.669 1.00 66.81 ? 227 GLU D C 1 ? ? +14783 ATOM O O . GLU D 4 217 ? 42.816 -74.466 -24.329 1.00 66.89 ? 227 GLU D O 1 ? ? +14784 ATOM N N . GLY D 4 218 ? 40.585 -74.775 -24.224 1.00 66.10 ? 228 GLY D N 1 ? ? +14785 ATOM C CA . GLY D 4 218 ? 40.424 -74.825 -25.667 1.00 65.67 ? 228 GLY D CA 1 ? ? +14786 ATOM C C . GLY D 4 218 ? 40.615 -73.456 -26.311 1.00 64.93 ? 228 GLY D C 1 ? ? +14787 ATOM O O . GLY D 4 218 ? 40.418 -72.434 -25.663 1.00 64.83 ? 228 GLY D O 1 ? ? +14788 ATOM N N A ALA D 4 219 ? 40.987 -73.450 -27.594 0.40 64.70 ? 229 ALA D N 1 ? ? +14789 ATOM N N B ALA D 4 219 ? 40.997 -73.451 -27.590 0.60 64.87 ? 229 ALA D N 1 ? ? +14790 ATOM C CA A ALA D 4 219 ? 41.135 -72.214 -28.346 0.40 63.97 ? 229 ALA D CA 1 ? ? +14791 ATOM C CA B ALA D 4 219 ? 41.113 -72.218 -28.351 0.60 64.30 ? 229 ALA D CA 1 ? ? +14792 ATOM C C A ALA D 4 219 ? 39.769 -71.629 -28.701 0.40 63.19 ? 229 ALA D C 1 ? ? +14793 ATOM C C B ALA D 4 219 ? 39.740 -71.642 -28.697 0.60 63.72 ? 229 ALA D C 1 ? ? +14794 ATOM O O A ALA D 4 219 ? 39.649 -70.423 -28.910 0.40 62.62 ? 229 ALA D O 1 ? ? +14795 ATOM O O B ALA D 4 219 ? 39.618 -70.437 -28.910 0.60 63.18 ? 229 ALA D O 1 ? ? +14796 ATOM C CB A ALA D 4 219 ? 41.955 -72.452 -29.602 0.40 64.12 ? 229 ALA D CB 1 ? ? +14797 ATOM C CB B ALA D 4 219 ? 41.926 -72.451 -29.613 0.60 64.42 ? 229 ALA D CB 1 ? ? +14798 ATOM N N A SER D 4 220 ? 38.752 -72.497 -28.784 0.40 63.21 ? 230 SER D N 1 ? ? +14799 ATOM N N B SER D 4 220 ? 38.722 -72.513 -28.780 0.60 63.92 ? 230 SER D N 1 ? ? +14800 ATOM C CA A SER D 4 220 ? 37.370 -72.057 -28.884 0.40 62.51 ? 230 SER D CA 1 ? ? +14801 ATOM C CA B SER D 4 220 ? 37.335 -72.080 -28.857 0.60 63.38 ? 230 SER D CA 1 ? ? +14802 ATOM C C A SER D 4 220 ? 36.824 -71.793 -27.486 0.40 62.33 ? 230 SER D C 1 ? ? +14803 ATOM C C B SER D 4 220 ? 36.828 -71.765 -27.455 0.60 63.23 ? 230 SER D C 1 ? ? +14804 ATOM O O A SER D 4 220 ? 36.692 -72.711 -26.682 0.40 62.97 ? 230 SER D O 1 ? ? +14805 ATOM O O B SER D 4 220 ? 36.672 -72.664 -26.632 0.60 63.93 ? 230 SER D O 1 ? ? +14806 ATOM C CB A SER D 4 220 ? 36.496 -73.088 -29.593 0.40 62.76 ? 230 SER D CB 1 ? ? +14807 ATOM C CB B SER D 4 220 ? 36.445 -73.141 -29.500 0.60 63.77 ? 230 SER D CB 1 ? ? +14808 ATOM O OG A SER D 4 220 ? 35.113 -72.788 -29.429 0.40 62.30 ? 230 SER D OG 1 ? ? +14809 ATOM O OG B SER D 4 220 ? 35.062 -72.862 -29.291 0.60 63.34 ? 230 SER D OG 1 ? ? +14810 ATOM N N A THR D 4 221 ? 36.492 -70.530 -27.214 0.40 61.57 ? 231 THR D N 1 ? ? +14811 ATOM N N B THR D 4 221 ? 36.557 -70.482 -27.201 0.60 62.56 ? 231 THR D N 1 ? ? +14812 ATOM C CA A THR D 4 221 ? 36.180 -70.107 -25.861 0.40 61.43 ? 231 THR D CA 1 ? ? +14813 ATOM C CA B THR D 4 221 ? 36.226 -70.019 -25.865 0.60 62.45 ? 231 THR D CA 1 ? ? +14814 ATOM C C A THR D 4 221 ? 34.718 -70.333 -25.484 0.40 61.16 ? 231 THR D C 1 ? ? +14815 ATOM C C B THR D 4 221 ? 34.761 -70.230 -25.488 0.60 62.27 ? 231 THR D C 1 ? ? +14816 ATOM O O A THR D 4 221 ? 34.363 -70.216 -24.315 0.40 61.12 ? 231 THR D O 1 ? ? +14817 ATOM O O B THR D 4 221 ? 34.395 -70.002 -24.340 0.60 62.08 ? 231 THR D O 1 ? ? +14818 ATOM C CB A THR D 4 221 ? 36.583 -68.649 -25.691 0.40 60.87 ? 231 THR D CB 1 ? ? +14819 ATOM C CB B THR D 4 221 ? 36.607 -68.549 -25.727 0.60 61.85 ? 231 THR D CB 1 ? ? +14820 ATOM O OG1 A THR D 4 221 ? 35.890 -67.865 -26.654 0.40 60.15 ? 231 THR D OG1 1 ? ? +14821 ATOM O OG1 B THR D 4 221 ? 35.918 -67.800 -26.717 0.60 61.13 ? 231 THR D OG1 1 ? ? +14822 ATOM C CG2 A THR D 4 221 ? 38.083 -68.446 -25.847 0.40 61.21 ? 231 THR D CG2 1 ? ? +14823 ATOM C CG2 B THR D 4 221 ? 38.105 -68.326 -25.865 0.60 62.21 ? 231 THR D CG2 1 ? ? +14824 ATOM N N A PHE D 4 222 ? 33.889 -70.682 -26.474 0.40 61.06 ? 232 PHE D N 1 ? ? +14825 ATOM N N B PHE D 4 222 ? 33.941 -70.664 -26.455 0.60 62.44 ? 232 PHE D N 1 ? ? +14826 ATOM C CA A PHE D 4 222 ? 32.454 -70.821 -26.268 0.40 60.96 ? 232 PHE D CA 1 ? ? +14827 ATOM C CA B PHE D 4 222 ? 32.508 -70.821 -26.245 0.60 62.58 ? 232 PHE D CA 1 ? ? +14828 ATOM C C A PHE D 4 222 ? 32.107 -71.905 -25.251 0.40 61.97 ? 232 PHE D C 1 ? ? +14829 ATOM C C B PHE D 4 222 ? 32.173 -71.919 -25.238 0.60 63.99 ? 232 PHE D C 1 ? ? +14830 ATOM O O A PHE D 4 222 ? 31.150 -71.765 -24.497 0.40 61.89 ? 232 PHE D O 1 ? ? +14831 ATOM O O B PHE D 4 222 ? 31.252 -71.766 -24.442 0.60 63.91 ? 232 PHE D O 1 ? ? +14832 ATOM C CB A PHE D 4 222 ? 31.743 -71.119 -27.599 0.40 60.48 ? 232 PHE D CB 1 ? ? +14833 ATOM C CB B PHE D 4 222 ? 31.793 -71.118 -27.575 0.60 61.94 ? 232 PHE D CB 1 ? ? +14834 ATOM C CG A PHE D 4 222 ? 31.793 -69.982 -28.587 0.40 59.59 ? 232 PHE D CG 1 ? ? +14835 ATOM C CG B PHE D 4 222 ? 31.848 -69.987 -28.568 0.60 60.94 ? 232 PHE D CG 1 ? ? +14836 ATOM C CD1 A PHE D 4 222 ? 31.009 -68.858 -28.414 0.40 58.82 ? 232 PHE D CD1 1 ? ? +14837 ATOM C CD1 B PHE D 4 222 ? 31.065 -68.861 -28.403 0.60 60.08 ? 232 PHE D CD1 1 ? ? +14838 ATOM C CD2 A PHE D 4 222 ? 32.641 -70.028 -29.677 0.40 59.56 ? 232 PHE D CD2 1 ? ? +14839 ATOM C CD2 B PHE D 4 222 ? 32.702 -70.039 -29.655 0.60 60.89 ? 232 PHE D CD2 1 ? ? +14840 ATOM C CE1 A PHE D 4 222 ? 31.061 -67.813 -29.321 0.40 58.17 ? 232 PHE D CE1 1 ? ? +14841 ATOM C CE1 B PHE D 4 222 ? 31.123 -67.820 -29.317 0.60 59.39 ? 232 PHE D CE1 1 ? ? +14842 ATOM C CE2 A PHE D 4 222 ? 32.693 -68.979 -30.579 0.40 58.90 ? 232 PHE D CE2 1 ? ? +14843 ATOM C CE2 B PHE D 4 222 ? 32.761 -68.993 -30.561 0.60 60.22 ? 232 PHE D CE2 1 ? ? +14844 ATOM C CZ A PHE D 4 222 ? 31.903 -67.878 -30.396 0.40 58.23 ? 232 PHE D CZ 1 ? ? +14845 ATOM C CZ B PHE D 4 222 ? 31.968 -67.892 -30.389 0.60 59.49 ? 232 PHE D CZ 1 ? ? +14846 ATOM N N A ARG D 4 223 ? 32.898 -72.981 -25.232 0.40 63.25 ? 233 ARG D N 1 ? ? +14847 ATOM N N B ARG D 4 223 ? 32.937 -73.015 -25.278 0.60 65.91 ? 233 ARG D N 1 ? ? +14848 ATOM C CA A ARG D 4 223 ? 32.637 -74.117 -24.363 0.40 64.35 ? 233 ARG D CA 1 ? ? +14849 ATOM C CA B ARG D 4 223 ? 32.714 -74.150 -24.396 0.60 67.52 ? 233 ARG D CA 1 ? ? +14850 ATOM C C A ARG D 4 223 ? 32.793 -73.779 -22.882 0.40 64.47 ? 233 ARG D C 1 ? ? +14851 ATOM C C B ARG D 4 223 ? 32.902 -73.831 -22.916 0.60 67.53 ? 233 ARG D C 1 ? ? +14852 ATOM O O A ARG D 4 223 ? 32.134 -74.381 -22.038 0.40 64.98 ? 233 ARG D O 1 ? ? +14853 ATOM O O B ARG D 4 223 ? 32.298 -74.481 -22.067 0.60 68.18 ? 233 ARG D O 1 ? ? +14854 ATOM C CB A ARG D 4 223 ? 33.574 -75.282 -24.715 0.40 65.60 ? 233 ARG D CB 1 ? ? +14855 ATOM C CB B ARG D 4 223 ? 33.664 -75.301 -24.765 0.60 69.42 ? 233 ARG D CB 1 ? ? +14856 ATOM C CG A ARG D 4 223 ? 33.335 -75.823 -26.105 0.40 66.04 ? 233 ARG D CG 1 ? ? +14857 ATOM C CG B ARG D 4 223 ? 33.384 -75.878 -26.135 0.60 70.55 ? 233 ARG D CG 1 ? ? +14858 ATOM C CD A ARG D 4 223 ? 33.760 -77.264 -26.256 0.40 67.33 ? 233 ARG D CD 1 ? ? +14859 ATOM C CD B ARG D 4 223 ? 33.813 -77.319 -26.274 0.60 72.55 ? 233 ARG D CD 1 ? ? +14860 ATOM N NE A ARG D 4 223 ? 32.957 -77.919 -27.282 0.40 67.91 ? 233 ARG D NE 1 ? ? +14861 ATOM N NE B ARG D 4 223 ? 33.009 -77.985 -27.292 0.60 74.05 ? 233 ARG D NE 1 ? ? +14862 ATOM C CZ A ARG D 4 223 ? 33.131 -79.164 -27.704 0.40 69.17 ? 233 ARG D CZ 1 ? ? +14863 ATOM C CZ B ARG D 4 223 ? 33.142 -79.253 -27.658 0.60 76.32 ? 233 ARG D CZ 1 ? ? +14864 ATOM N NH1 A ARG D 4 223 ? 34.140 -79.909 -27.273 0.40 70.03 ? 233 ARG D NH1 1 ? ? +14865 ATOM N NH1 B ARG D 4 223 ? 34.154 -79.999 -27.231 0.60 77.35 ? 233 ARG D NH1 1 ? ? +14866 ATOM N NH2 A ARG D 4 223 ? 32.278 -79.671 -28.591 0.40 69.33 ? 233 ARG D NH2 1 ? ? +14867 ATOM N NH2 B ARG D 4 223 ? 32.246 -79.784 -28.489 0.60 76.94 ? 233 ARG D NH2 1 ? ? +14868 ATOM N N A ALA D 4 224 ? 33.667 -72.814 -22.577 0.40 64.13 ? 234 ALA D N 1 ? ? +14869 ATOM N N B ALA D 4 224 ? 33.742 -72.833 -22.612 0.60 67.03 ? 234 ALA D N 1 ? ? +14870 ATOM C CA A ALA D 4 224 ? 34.007 -72.498 -21.198 0.40 64.21 ? 234 ALA D CA 1 ? ? +14871 ATOM C CA B ALA D 4 224 ? 34.069 -72.495 -21.236 0.60 66.95 ? 234 ALA D CA 1 ? ? +14872 ATOM C C A ALA D 4 224 ? 32.940 -71.638 -20.523 0.40 63.52 ? 234 ALA D C 1 ? ? +14873 ATOM C C B ALA D 4 224 ? 33.000 -71.613 -20.591 0.60 66.14 ? 234 ALA D C 1 ? ? +14874 ATOM O O A ALA D 4 224 ? 33.254 -70.688 -19.812 0.40 63.28 ? 234 ALA D O 1 ? ? +14875 ATOM O O B ALA D 4 224 ? 33.303 -70.568 -20.021 0.60 65.80 ? 234 ALA D O 1 ? ? +14876 ATOM C CB A ALA D 4 224 ? 35.360 -71.800 -21.144 0.40 64.22 ? 234 ALA D CB 1 ? ? +14877 ATOM C CB B ALA D 4 224 ? 35.428 -71.810 -21.185 0.60 66.94 ? 234 ALA D CB 1 ? ? +14878 ATOM N N A PHE D 4 225 ? 31.672 -71.985 -20.748 0.40 63.28 ? 235 PHE D N 1 ? ? +14879 ATOM N N B PHE D 4 225 ? 31.742 -72.046 -20.685 0.60 65.93 ? 235 PHE D N 1 ? ? +14880 ATOM C CA A PHE D 4 225 ? 30.574 -71.297 -20.091 0.40 62.74 ? 235 PHE D CA 1 ? ? +14881 ATOM C CA B PHE D 4 225 ? 30.639 -71.336 -20.061 0.60 65.30 ? 235 PHE D CA 1 ? ? +14882 ATOM C C A PHE D 4 225 ? 29.462 -72.275 -19.725 0.40 63.20 ? 235 PHE D C 1 ? ? +14883 ATOM C C B PHE D 4 225 ? 29.532 -72.324 -19.711 0.60 65.93 ? 235 PHE D C 1 ? ? +14884 ATOM O O A PHE D 4 225 ? 29.051 -73.093 -20.543 0.40 63.36 ? 235 PHE D O 1 ? ? +14885 ATOM O O B PHE D 4 225 ? 29.170 -73.166 -20.527 0.60 66.13 ? 235 PHE D O 1 ? ? +14886 ATOM C CB A PHE D 4 225 ? 30.004 -70.185 -20.972 0.40 61.74 ? 235 PHE D CB 1 ? ? +14887 ATOM C CB B PHE D 4 225 ? 30.085 -70.233 -20.968 0.60 64.09 ? 235 PHE D CB 1 ? ? +14888 ATOM C CG A PHE D 4 225 ? 28.819 -69.500 -20.335 0.40 61.24 ? 235 PHE D CG 1 ? ? +14889 ATOM C CG B PHE D 4 225 ? 28.882 -69.542 -20.369 0.60 63.47 ? 235 PHE D CG 1 ? ? +14890 ATOM C CD1 A PHE D 4 225 ? 28.997 -68.458 -19.442 0.40 60.87 ? 235 PHE D CD1 1 ? ? +14891 ATOM C CD1 B PHE D 4 225 ? 29.035 -68.518 -19.451 0.60 62.96 ? 235 PHE D CD1 1 ? ? +14892 ATOM C CD2 A PHE D 4 225 ? 27.525 -69.936 -20.589 0.40 61.11 ? 235 PHE D CD2 1 ? ? +14893 ATOM C CD2 B PHE D 4 225 ? 27.592 -69.957 -20.684 0.60 63.23 ? 235 PHE D CD2 1 ? ? +14894 ATOM C CE1 A PHE D 4 225 ? 27.907 -67.845 -18.843 0.40 60.52 ? 235 PHE D CE1 1 ? ? +14895 ATOM C CE1 B PHE D 4 225 ? 27.926 -67.900 -18.884 0.60 62.55 ? 235 PHE D CE1 1 ? ? +14896 ATOM C CE2 A PHE D 4 225 ? 26.440 -69.322 -19.985 0.40 60.71 ? 235 PHE D CE2 1 ? ? +14897 ATOM C CE2 B PHE D 4 225 ? 26.489 -69.341 -20.112 0.60 62.71 ? 235 PHE D CE2 1 ? ? +14898 ATOM C CZ A PHE D 4 225 ? 26.634 -68.281 -19.118 0.40 60.46 ? 235 PHE D CZ 1 ? ? +14899 ATOM C CZ B PHE D 4 225 ? 26.659 -68.316 -19.218 0.60 62.48 ? 235 PHE D CZ 1 ? ? +14900 ATOM N N A ASN D 4 226 ? 28.983 -72.166 -18.483 0.40 63.50 ? 236 ASN D N 1 ? ? +14901 ATOM N N B ASN D 4 226 ? 29.006 -72.201 -18.488 0.60 66.41 ? 236 ASN D N 1 ? ? +14902 ATOM C CA A ASN D 4 226 ? 27.932 -73.027 -17.972 0.40 63.99 ? 236 ASN D CA 1 ? ? +14903 ATOM C CA B ASN D 4 226 ? 27.921 -73.041 -18.013 0.60 67.07 ? 236 ASN D CA 1 ? ? +14904 ATOM C C A ASN D 4 226 ? 26.749 -72.180 -17.515 0.40 63.42 ? 236 ASN D C 1 ? ? +14905 ATOM C C B ASN D 4 226 ? 26.751 -72.161 -17.583 0.60 66.46 ? 236 ASN D C 1 ? ? +14906 ATOM O O A ASN D 4 226 ? 26.880 -71.373 -16.598 0.40 63.17 ? 236 ASN D O 1 ? ? +14907 ATOM O O B ASN D 4 226 ? 26.918 -71.285 -16.737 0.60 66.02 ? 236 ASN D O 1 ? ? +14908 ATOM C CB A ASN D 4 226 ? 28.469 -73.881 -16.834 0.40 65.09 ? 236 ASN D CB 1 ? ? +14909 ATOM C CB B ASN D 4 226 ? 28.393 -73.916 -16.866 0.60 68.50 ? 236 ASN D CB 1 ? ? +14910 ATOM C CG A ASN D 4 226 ? 27.506 -74.930 -16.355 0.40 65.88 ? 236 ASN D CG 1 ? ? +14911 ATOM C CG B ASN D 4 226 ? 27.373 -74.945 -16.442 0.60 69.61 ? 236 ASN D CG 1 ? ? +14912 ATOM O OD1 A ASN D 4 226 ? 26.498 -74.638 -15.709 0.40 66.10 ? 236 ASN D OD1 1 ? ? +14913 ATOM O OD1 B ASN D 4 226 ? 26.360 -74.631 -15.807 0.60 70.21 ? 236 ASN D OD1 1 ? ? +14914 ATOM N ND2 A ASN D 4 226 ? 27.804 -76.185 -16.654 0.40 66.65 ? 236 ASN D ND2 1 ? ? +14915 ATOM N ND2 B ASN D 4 226 ? 27.616 -76.206 -16.782 0.60 70.50 ? 236 ASN D ND2 1 ? ? +14916 ATOM N N A PRO D 4 227 ? 25.564 -72.338 -18.149 0.40 63.18 ? 237 PRO D N 1 ? ? +14917 ATOM N N B PRO D 4 227 ? 25.536 -72.368 -18.147 0.60 66.33 ? 237 PRO D N 1 ? ? +14918 ATOM C CA A PRO D 4 227 ? 24.407 -71.489 -17.856 0.40 62.59 ? 237 PRO D CA 1 ? ? +14919 ATOM C CA B PRO D 4 227 ? 24.380 -71.517 -17.845 0.60 65.71 ? 237 PRO D CA 1 ? ? +14920 ATOM C C A PRO D 4 227 ? 24.150 -71.238 -16.372 0.40 62.74 ? 237 PRO D C 1 ? ? +14921 ATOM C C B PRO D 4 227 ? 24.094 -71.294 -16.361 0.60 65.87 ? 237 PRO D C 1 ? ? +14922 ATOM O O A PRO D 4 227 ? 23.646 -70.178 -16.006 0.40 62.31 ? 237 PRO D O 1 ? ? +14923 ATOM O O B PRO D 4 227 ? 23.563 -70.248 -15.991 0.60 65.54 ? 237 PRO D O 1 ? ? +14924 ATOM C CB A PRO D 4 227 ? 23.247 -72.262 -18.490 0.40 62.72 ? 237 PRO D CB 1 ? ? +14925 ATOM C CB B PRO D 4 227 ? 23.217 -72.263 -18.510 0.60 65.79 ? 237 PRO D CB 1 ? ? +14926 ATOM C CG A PRO D 4 227 ? 23.876 -73.012 -19.635 0.40 62.93 ? 237 PRO D CG 1 ? ? +14927 ATOM C CG B PRO D 4 227 ? 23.850 -73.037 -19.625 0.60 66.07 ? 237 PRO D CG 1 ? ? +14928 ATOM C CD A PRO D 4 227 ? 25.286 -73.346 -19.187 0.40 63.39 ? 237 PRO D CD 1 ? ? +14929 ATOM C CD B PRO D 4 227 ? 25.215 -73.433 -19.116 0.60 66.60 ? 237 PRO D CD 1 ? ? +14930 ATOM N N A THR D 4 228 ? 24.500 -72.212 -15.525 0.40 63.40 ? 238 THR D N 1 ? ? +14931 ATOM N N B THR D 4 228 ? 24.443 -72.279 -15.522 0.60 66.53 ? 238 THR D N 1 ? ? +14932 ATOM C CA A THR D 4 228 ? 24.169 -72.143 -14.110 0.40 63.64 ? 238 THR D CA 1 ? ? +14933 ATOM C CA B THR D 4 228 ? 24.155 -72.218 -14.097 0.60 66.78 ? 238 THR D CA 1 ? ? +14934 ATOM C C A THR D 4 228 ? 25.313 -71.652 -13.225 0.40 63.75 ? 238 THR D C 1 ? ? +14935 ATOM C C B THR D 4 228 ? 25.330 -71.786 -13.224 0.60 66.98 ? 238 THR D C 1 ? ? +14936 ATOM O O A THR D 4 228 ? 25.152 -71.547 -12.011 0.40 64.12 ? 238 THR D O 1 ? ? +14937 ATOM O O B THR D 4 228 ? 25.229 -71.818 -12.000 0.60 67.50 ? 238 THR D O 1 ? ? +14938 ATOM C CB A THR D 4 228 ? 23.672 -73.507 -13.628 0.40 64.39 ? 238 THR D CB 1 ? ? +14939 ATOM C CB B THR D 4 228 ? 23.638 -73.575 -13.614 0.60 67.48 ? 238 THR D CB 1 ? ? +14940 ATOM O OG1 A THR D 4 228 ? 24.542 -74.520 -14.124 0.40 64.73 ? 238 THR D OG1 1 ? ? +14941 ATOM O OG1 B THR D 4 228 ? 24.604 -74.574 -13.926 0.60 67.74 ? 238 THR D OG1 1 ? ? +14942 ATOM C CG2 A THR D 4 228 ? 22.238 -73.792 -14.079 0.40 64.32 ? 238 THR D CG2 1 ? ? +14943 ATOM C CG2 B THR D 4 228 ? 22.282 -73.925 -14.228 0.60 67.46 ? 238 THR D CG2 1 ? ? +14944 ATOM N N A GLN D 4 229 ? 26.460 -71.339 -13.835 0.40 63.50 ? 239 GLN D N 1 ? ? +14945 ATOM N N B GLN D 4 229 ? 26.443 -71.377 -13.845 0.60 66.69 ? 239 GLN D N 1 ? ? +14946 ATOM C CA A GLN D 4 229 ? 27.598 -70.830 -13.087 0.40 63.46 ? 239 GLN D CA 1 ? ? +14947 ATOM C CA B GLN D 4 229 ? 27.580 -70.874 -13.090 0.60 66.56 ? 239 GLN D CA 1 ? ? +14948 ATOM C C A GLN D 4 229 ? 27.257 -69.462 -12.499 0.40 62.85 ? 239 GLN D C 1 ? ? +14949 ATOM C C B GLN D 4 229 ? 27.205 -69.527 -12.471 0.60 66.00 ? 239 GLN D C 1 ? ? +14950 ATOM O O A GLN D 4 229 ? 26.494 -68.697 -13.084 0.40 62.06 ? 239 GLN D O 1 ? ? +14951 ATOM O O B GLN D 4 229 ? 26.419 -68.772 -13.038 0.60 65.06 ? 239 GLN D O 1 ? ? +14952 ATOM C CB A GLN D 4 229 ? 28.832 -70.727 -13.980 0.40 63.25 ? 239 GLN D CB 1 ? ? +14953 ATOM C CB B GLN D 4 229 ? 28.821 -70.745 -13.977 0.60 66.20 ? 239 GLN D CB 1 ? ? +14954 ATOM C CG A GLN D 4 229 ? 28.727 -69.612 -14.995 0.40 62.35 ? 239 GLN D CG 1 ? ? +14955 ATOM C CG B GLN D 4 229 ? 28.748 -69.589 -14.958 0.60 65.25 ? 239 GLN D CG 1 ? ? +14956 ATOM C CD A GLN D 4 229 ? 29.882 -69.629 -15.942 0.40 62.21 ? 239 GLN D CD 1 ? ? +14957 ATOM C CD B GLN D 4 229 ? 29.893 -69.614 -15.922 0.60 64.98 ? 239 GLN D CD 1 ? ? +14958 ATOM O OE1 A GLN D 4 229 ? 30.131 -70.619 -16.634 0.40 62.40 ? 239 GLN D OE1 1 ? ? +14959 ATOM O OE1 B GLN D 4 229 ? 30.125 -70.607 -16.616 0.60 64.99 ? 239 GLN D OE1 1 ? ? +14960 ATOM N NE2 A GLN D 4 229 ? 30.615 -68.531 -15.984 0.40 61.88 ? 239 GLN D NE2 1 ? ? +14961 ATOM N NE2 B GLN D 4 229 ? 30.640 -68.520 -15.981 0.60 64.72 ? 239 GLN D NE2 1 ? ? +14962 ATOM N N A ALA D 4 230 ? 27.836 -69.163 -11.334 0.40 63.18 ? 240 ALA D N 1 ? ? +14963 ATOM N N B ALA D 4 230 ? 27.778 -69.239 -11.300 0.60 66.50 ? 240 ALA D N 1 ? ? +14964 ATOM C CA A ALA D 4 230 ? 27.518 -67.939 -10.621 0.40 62.72 ? 240 ALA D CA 1 ? ? +14965 ATOM C CA B ALA D 4 230 ? 27.468 -68.019 -10.574 0.60 66.11 ? 240 ALA D CA 1 ? ? +14966 ATOM C C A ALA D 4 230 ? 28.363 -66.767 -11.116 0.40 62.21 ? 240 ALA D C 1 ? ? +14967 ATOM C C B ALA D 4 230 ? 28.294 -66.837 -11.075 0.60 65.79 ? 240 ALA D C 1 ? ? +14968 ATOM O O A ALA D 4 230 ? 27.874 -65.643 -11.183 0.40 61.67 ? 240 ALA D O 1 ? ? +14969 ATOM O O B ALA D 4 230 ? 27.803 -65.711 -11.078 0.60 65.38 ? 240 ALA D O 1 ? ? +14970 ATOM C CB A ALA D 4 230 ? 27.713 -68.141 -9.127 0.40 63.32 ? 240 ALA D CB 1 ? ? +14971 ATOM C CB B ALA D 4 230 ? 27.698 -68.224 -9.087 0.60 66.69 ? 240 ALA D CB 1 ? ? +14972 ATOM N N A GLU D 4 231 ? 29.623 -67.051 -11.477 0.40 62.50 ? 241 GLU D N 1 ? ? +14973 ATOM N N B GLU D 4 231 ? 29.530 -67.112 -11.515 0.60 66.29 ? 241 GLU D N 1 ? ? +14974 ATOM C CA A GLU D 4 231 ? 30.596 -66.019 -11.809 0.40 62.05 ? 241 GLU D CA 1 ? ? +14975 ATOM C CA B GLU D 4 231 ? 30.512 -66.078 -11.815 0.60 65.90 ? 241 GLU D CA 1 ? ? +14976 ATOM C C A GLU D 4 231 ? 30.382 -65.402 -13.189 0.40 60.95 ? 241 GLU D C 1 ? ? +14977 ATOM C C B GLU D 4 231 ? 30.301 -65.445 -13.189 0.60 64.32 ? 241 GLU D C 1 ? ? +14978 ATOM O O A GLU D 4 231 ? 30.123 -66.116 -14.155 0.40 61.13 ? 241 GLU D O 1 ? ? +14979 ATOM O O B GLU D 4 231 ? 29.947 -66.138 -14.144 0.60 64.77 ? 241 GLU D O 1 ? ? +14980 ATOM C CB A GLU D 4 231 ? 32.023 -66.588 -11.795 0.40 62.93 ? 241 GLU D CB 1 ? ? +14981 ATOM C CB B GLU D 4 231 ? 31.957 -66.624 -11.795 0.60 67.33 ? 241 GLU D CB 1 ? ? +14982 ATOM C CG A GLU D 4 231 ? 32.260 -67.644 -10.740 0.40 64.06 ? 241 GLU D CG 1 ? ? +14983 ATOM C CG B GLU D 4 231 ? 32.301 -67.626 -10.702 0.60 69.01 ? 241 GLU D CG 1 ? ? +14984 ATOM C CD A GLU D 4 231 ? 31.697 -68.994 -11.129 0.40 64.78 ? 241 GLU D CD 1 ? ? +14985 ATOM C CD B GLU D 4 231 ? 31.907 -69.053 -11.023 0.60 70.52 ? 241 GLU D CD 1 ? ? +14986 ATOM O OE1 A GLU D 4 231 ? 32.346 -69.703 -11.936 0.40 65.30 ? 241 GLU D OE1 1 ? ? +14987 ATOM O OE1 B GLU D 4 231 ? 31.947 -69.425 -12.222 0.60 71.05 ? 241 GLU D OE1 1 ? ? +14988 ATOM O OE2 A GLU D 4 231 ? 30.586 -69.328 -10.655 0.40 65.02 ? 241 GLU D OE2 1 ? ? +14989 ATOM O OE2 B GLU D 4 231 ? 31.604 -69.814 -10.071 0.60 71.94 ? 241 GLU D OE2 1 ? ? +14990 ATOM N N A GLU D 4 232 ? 30.531 -64.076 -13.273 0.40 59.81 ? 242 GLU D N 1 ? ? +14991 ATOM N N B GLU D 4 232 ? 30.550 -64.130 -13.283 0.60 62.52 ? 242 GLU D N 1 ? ? +14992 ATOM C CA A GLU D 4 232 ? 30.510 -63.389 -14.552 0.40 58.74 ? 242 GLU D CA 1 ? ? +14993 ATOM C CA B GLU D 4 232 ? 30.543 -63.441 -14.562 0.60 60.99 ? 242 GLU D CA 1 ? ? +14994 ATOM C C A GLU D 4 232 ? 31.530 -64.069 -15.461 0.40 58.49 ? 242 GLU D C 1 ? ? +14995 ATOM C C B GLU D 4 232 ? 31.577 -64.100 -15.472 0.60 60.23 ? 242 GLU D C 1 ? ? +14996 ATOM O O A GLU D 4 232 ? 32.548 -64.565 -14.988 0.40 59.06 ? 242 GLU D O 1 ? ? +14997 ATOM O O B GLU D 4 232 ? 32.602 -64.578 -14.997 0.60 60.79 ? 242 GLU D O 1 ? ? +14998 ATOM C CB A GLU D 4 232 ? 30.805 -61.894 -14.367 0.40 58.38 ? 242 GLU D CB 1 ? ? +14999 ATOM C CB B GLU D 4 232 ? 30.811 -61.936 -14.386 0.60 60.73 ? 242 GLU D CB 1 ? ? +15000 ATOM C CG A GLU D 4 232 ? 32.081 -61.620 -13.586 0.40 58.88 ? 242 GLU D CG 1 ? ? +15001 ATOM C CG B GLU D 4 232 ? 32.133 -61.604 -13.704 0.60 61.30 ? 242 GLU D CG 1 ? ? +15002 ATOM C CD A GLU D 4 232 ? 32.533 -60.170 -13.550 0.40 58.46 ? 242 GLU D CD 1 ? ? +15003 ATOM C CD B GLU D 4 232 ? 32.520 -60.132 -13.692 0.60 60.89 ? 242 GLU D CD 1 ? ? +15004 ATOM O OE1 A GLU D 4 232 ? 31.714 -59.275 -13.873 0.40 57.96 ? 242 GLU D OE1 1 ? ? +15005 ATOM O OE1 B GLU D 4 232 ? 31.686 -59.281 -14.093 0.60 60.54 ? 242 GLU D OE1 1 ? ? +15006 ATOM O OE2 A GLU D 4 232 ? 33.719 -59.933 -13.218 0.40 58.69 ? 242 GLU D OE2 1 ? ? +15007 ATOM O OE2 B GLU D 4 232 ? 33.674 -59.836 -13.299 0.60 61.05 ? 242 GLU D OE2 1 ? ? +15008 ATOM N N A THR D 4 233 ? 31.230 -64.114 -16.762 0.40 57.60 ? 243 THR D N 1 ? ? +15009 ATOM N N B THR D 4 233 ? 31.274 -64.153 -16.773 0.60 58.88 ? 243 THR D N 1 ? ? +15010 ATOM C CA A THR D 4 233 ? 32.047 -64.845 -17.714 0.40 57.45 ? 243 THR D CA 1 ? ? +15011 ATOM C CA B THR D 4 233 ? 32.092 -64.875 -17.732 0.60 58.43 ? 243 THR D CA 1 ? ? +15012 ATOM C C A THR D 4 233 ? 33.143 -63.944 -18.278 0.40 56.90 ? 243 THR D C 1 ? ? +15013 ATOM C C B THR D 4 233 ? 33.169 -63.973 -18.335 0.60 57.64 ? 243 THR D C 1 ? ? +15014 ATOM O O A THR D 4 233 ? 34.121 -64.423 -18.851 0.40 57.08 ? 243 THR D O 1 ? ? +15015 ATOM O O B THR D 4 233 ? 34.119 -64.458 -18.949 0.60 57.70 ? 243 THR D O 1 ? ? +15016 ATOM C CB A THR D 4 233 ? 31.159 -65.421 -18.820 0.40 57.15 ? 243 THR D CB 1 ? ? +15017 ATOM C CB B THR D 4 233 ? 31.187 -65.487 -18.804 0.60 58.08 ? 243 THR D CB 1 ? ? +15018 ATOM O OG1 A THR D 4 233 ? 31.898 -66.382 -19.573 0.40 57.55 ? 243 THR D OG1 1 ? ? +15019 ATOM O OG1 B THR D 4 233 ? 31.906 -66.494 -19.509 0.60 58.54 ? 243 THR D OG1 1 ? ? +15020 ATOM C CG2 A THR D 4 233 ? 30.639 -64.359 -19.742 0.40 56.35 ? 243 THR D CG2 1 ? ? +15021 ATOM C CG2 B THR D 4 233 ? 30.671 -64.469 -19.781 0.60 57.25 ? 243 THR D CG2 1 ? ? +15022 ATOM N N A TYR D 4 234 ? 32.951 -62.631 -18.109 0.40 56.06 ? 244 TYR D N 1 ? ? +15023 ATOM N N B TYR D 4 234 ? 32.988 -62.657 -18.166 0.60 56.61 ? 244 TYR D N 1 ? ? +15024 ATOM C CA A TYR D 4 234 ? 33.898 -61.635 -18.578 0.40 55.56 ? 244 TYR D CA 1 ? ? +15025 ATOM C CA B TYR D 4 234 ? 33.934 -61.663 -18.640 0.60 55.95 ? 244 TYR D CA 1 ? ? +15026 ATOM C C A TYR D 4 234 ? 34.168 -60.609 -17.483 0.40 55.27 ? 244 TYR D C 1 ? ? +15027 ATOM C C B TYR D 4 234 ? 34.194 -60.645 -17.538 0.60 55.62 ? 244 TYR D C 1 ? ? +15028 ATOM O O A TYR D 4 234 ? 33.455 -60.554 -16.485 0.40 55.31 ? 244 TYR D O 1 ? ? +15029 ATOM O O B TYR D 4 234 ? 33.436 -60.559 -16.576 0.60 55.65 ? 244 TYR D O 1 ? ? +15030 ATOM C CB A TYR D 4 234 ? 33.393 -60.915 -19.823 0.40 54.87 ? 244 TYR D CB 1 ? ? +15031 ATOM C CB B TYR D 4 234 ? 33.428 -60.942 -19.883 0.60 55.21 ? 244 TYR D CB 1 ? ? +15032 ATOM C CG A TYR D 4 234 ? 32.189 -60.037 -19.569 0.40 54.38 ? 244 TYR D CG 1 ? ? +15033 ATOM C CG B TYR D 4 234 ? 32.225 -60.060 -19.633 0.60 54.73 ? 244 TYR D CG 1 ? ? +15034 ATOM C CD1 A TYR D 4 234 ? 30.926 -60.585 -19.403 0.40 54.38 ? 244 TYR D CD1 1 ? ? +15035 ATOM C CD1 B TYR D 4 234 ? 30.954 -60.602 -19.511 0.60 54.73 ? 244 TYR D CD1 1 ? ? +15036 ATOM C CD2 A TYR D 4 234 ? 32.315 -58.658 -19.487 0.40 53.94 ? 244 TYR D CD2 1 ? ? +15037 ATOM C CD2 B TYR D 4 234 ? 32.360 -58.682 -19.510 0.60 54.29 ? 244 TYR D CD2 1 ? ? +15038 ATOM C CE1 A TYR D 4 234 ? 29.816 -59.784 -19.175 0.40 53.93 ? 244 TYR D CE1 1 ? ? +15039 ATOM C CE1 B TYR D 4 234 ? 29.842 -59.797 -19.289 0.60 54.28 ? 244 TYR D CE1 1 ? ? +15040 ATOM C CE2 A TYR D 4 234 ? 31.214 -57.846 -19.249 0.40 53.47 ? 244 TYR D CE2 1 ? ? +15041 ATOM C CE2 B TYR D 4 234 ? 31.259 -57.868 -19.272 0.60 53.83 ? 244 TYR D CE2 1 ? ? +15042 ATOM C CZ A TYR D 4 234 ? 29.963 -58.414 -19.098 0.40 53.50 ? 244 TYR D CZ 1 ? ? +15043 ATOM C CZ B TYR D 4 234 ? 29.999 -58.430 -19.167 0.60 53.86 ? 244 TYR D CZ 1 ? ? +15044 ATOM O OH A TYR D 4 234 ? 28.856 -57.632 -18.875 0.40 53.14 ? 244 TYR D OH 1 ? ? +15045 ATOM O OH B TYR D 4 234 ? 28.890 -57.648 -18.955 0.60 53.57 ? 244 TYR D OH 1 ? ? +15046 ATOM N N A SER D 4 235 ? 35.212 -59.802 -17.689 0.40 54.97 ? 245 SER D N 1 ? ? +15047 ATOM N N B SER D 4 235 ? 35.279 -59.880 -17.697 0.60 55.31 ? 245 SER D N 1 ? ? +15048 ATOM C CA A SER D 4 235 ? 35.667 -58.865 -16.679 0.40 54.78 ? 245 SER D CA 1 ? ? +15049 ATOM C CA B SER D 4 235 ? 35.713 -58.934 -16.685 0.60 55.03 ? 245 SER D CA 1 ? ? +15050 ATOM C C A SER D 4 235 ? 35.096 -57.471 -16.894 0.40 53.92 ? 245 SER D C 1 ? ? +15051 ATOM C C B SER D 4 235 ? 35.138 -57.546 -16.925 0.60 54.14 ? 245 SER D C 1 ? ? +15052 ATOM O O A SER D 4 235 ? 35.446 -56.781 -17.847 0.40 53.56 ? 245 SER D O 1 ? ? +15053 ATOM O O B SER D 4 235 ? 35.509 -56.864 -17.875 0.60 53.81 ? 245 SER D O 1 ? ? +15054 ATOM C CB A SER D 4 235 ? 37.187 -58.780 -16.652 0.40 55.11 ? 245 SER D CB 1 ? ? +15055 ATOM C CB B SER D 4 235 ? 37.228 -58.830 -16.636 0.60 55.30 ? 245 SER D CB 1 ? ? +15056 ATOM O OG A SER D 4 235 ? 37.579 -57.781 -15.729 0.40 55.01 ? 245 SER D OG 1 ? ? +15057 ATOM O OG B SER D 4 235 ? 37.579 -57.814 -15.716 0.60 55.14 ? 245 SER D OG 1 ? ? +15058 ATOM N N A MET D 4 236 ? 34.229 -57.063 -15.971 0.40 53.65 ? 246 MET D N 1 ? ? +15059 ATOM N N B MET D 4 236 ? 34.254 -57.126 -16.024 0.60 53.85 ? 246 MET D N 1 ? ? +15060 ATOM C CA A MET D 4 236 ? 33.609 -55.754 -16.036 0.40 52.88 ? 246 MET D CA 1 ? ? +15061 ATOM C CA B MET D 4 236 ? 33.653 -55.808 -16.105 0.60 53.09 ? 246 MET D CA 1 ? ? +15062 ATOM C C A MET D 4 236 ? 34.628 -54.699 -15.618 0.40 52.67 ? 246 MET D C 1 ? ? +15063 ATOM C C B MET D 4 236 ? 34.695 -54.755 -15.740 0.60 52.81 ? 246 MET D C 1 ? ? +15064 ATOM O O A MET D 4 236 ? 34.503 -53.533 -15.976 0.40 52.17 ? 246 MET D O 1 ? ? +15065 ATOM O O B MET D 4 236 ? 34.645 -53.637 -16.236 0.60 52.33 ? 246 MET D O 1 ? ? +15066 ATOM C CB A MET D 4 236 ? 32.393 -55.728 -15.119 0.40 52.88 ? 246 MET D CB 1 ? ? +15067 ATOM C CB B MET D 4 236 ? 32.460 -55.752 -15.162 0.60 53.12 ? 246 MET D CB 1 ? ? +15068 ATOM C CG A MET D 4 236 ? 31.635 -54.461 -15.172 0.40 52.32 ? 246 MET D CG 1 ? ? +15069 ATOM C CG B MET D 4 236 ? 31.687 -54.495 -15.240 0.60 52.60 ? 246 MET D CG 1 ? ? +15070 ATOM S SD A MET D 4 236 ? 30.795 -54.275 -16.746 0.40 51.80 ? 246 MET D SD 1 ? ? +15071 ATOM S SD B MET D 4 236 ? 30.757 -54.378 -16.764 0.60 52.15 ? 246 MET D SD 1 ? ? +15072 ATOM C CE A MET D 4 236 ? 30.094 -52.719 -16.509 0.40 51.23 ? 246 MET D CE 1 ? ? +15073 ATOM C CE B MET D 4 236 ? 30.013 -52.832 -16.508 0.60 51.60 ? 246 MET D CE 1 ? ? +15074 ATOM N N A VAL D 4 237 ? 35.638 -55.123 -14.852 0.40 53.09 ? 247 VAL D N 1 ? ? +15075 ATOM N N B VAL D 4 237 ? 35.635 -55.128 -14.865 0.60 53.19 ? 247 VAL D N 1 ? ? +15076 ATOM C CA A VAL D 4 237 ? 36.673 -54.218 -14.379 0.40 53.03 ? 247 VAL D CA 1 ? ? +15077 ATOM C CA B VAL D 4 237 ? 36.680 -54.223 -14.411 0.60 53.09 ? 247 VAL D CA 1 ? ? +15078 ATOM C C A VAL D 4 237 ? 37.629 -53.863 -15.515 0.40 52.72 ? 247 VAL D C 1 ? ? +15079 ATOM C C B VAL D 4 237 ? 37.646 -53.882 -15.544 0.60 52.75 ? 247 VAL D C 1 ? ? +15080 ATOM O O A VAL D 4 237 ? 37.948 -52.695 -15.726 0.40 52.38 ? 247 VAL D O 1 ? ? +15081 ATOM O O B VAL D 4 237 ? 37.998 -52.721 -15.734 0.60 52.40 ? 247 VAL D O 1 ? ? +15082 ATOM C CB A VAL D 4 237 ? 37.443 -54.802 -13.172 0.40 53.78 ? 247 VAL D CB 1 ? ? +15083 ATOM C CB B VAL D 4 237 ? 37.431 -54.804 -13.185 0.60 53.88 ? 247 VAL D CB 1 ? ? +15084 ATOM C CG1 A VAL D 4 237 ? 38.689 -53.993 -12.874 0.40 54.00 ? 247 VAL D CG1 1 ? ? +15085 ATOM C CG1 B VAL D 4 237 ? 38.674 -54.003 -12.858 0.60 54.09 ? 247 VAL D CG1 1 ? ? +15086 ATOM C CG2 A VAL D 4 237 ? 36.555 -54.884 -11.941 0.40 53.91 ? 247 VAL D CG2 1 ? ? +15087 ATOM C CG2 B VAL D 4 237 ? 36.519 -54.870 -11.972 0.60 54.01 ? 247 VAL D CG2 1 ? ? +15088 ATOM N N A THR D 4 238 ? 38.085 -54.885 -16.242 0.40 52.83 ? 248 THR D N 1 ? ? +15089 ATOM N N B THR D 4 238 ? 38.072 -54.904 -16.289 0.60 52.79 ? 248 THR D N 1 ? ? +15090 ATOM C CA A THR D 4 238 ? 39.004 -54.676 -17.347 0.40 52.63 ? 248 THR D CA 1 ? ? +15091 ATOM C CA B THR D 4 238 ? 38.990 -54.704 -17.398 0.60 52.56 ? 248 THR D CA 1 ? ? +15092 ATOM C C A THR D 4 238 ? 38.303 -53.919 -18.469 0.40 51.72 ? 248 THR D C 1 ? ? +15093 ATOM C C B THR D 4 238 ? 38.302 -53.956 -18.533 0.60 51.62 ? 248 THR D C 1 ? ? +15094 ATOM O O A THR D 4 238 ? 38.841 -52.951 -19.004 0.40 51.49 ? 248 THR D O 1 ? ? +15095 ATOM O O B THR D 4 238 ? 38.890 -53.055 -19.132 0.60 51.41 ? 248 THR D O 1 ? ? +15096 ATOM C CB A THR D 4 238 ? 39.569 -56.004 -17.829 0.40 53.14 ? 248 THR D CB 1 ? ? +15097 ATOM C CB B THR D 4 238 ? 39.570 -56.036 -17.860 0.60 53.09 ? 248 THR D CB 1 ? ? +15098 ATOM O OG1 A THR D 4 238 ? 40.384 -56.547 -16.792 0.40 53.85 ? 248 THR D OG1 1 ? ? +15099 ATOM O OG1 B THR D 4 238 ? 40.435 -56.514 -16.836 0.60 53.79 ? 248 THR D OG1 1 ? ? +15100 ATOM C CG2 A THR D 4 238 ? 40.365 -55.854 -19.098 0.40 53.08 ? 248 THR D CG2 1 ? ? +15101 ATOM C CG2 B THR D 4 238 ? 40.326 -55.917 -19.156 0.60 53.00 ? 248 THR D CG2 1 ? ? +15102 ATOM N N A ALA D 4 239 ? 37.095 -54.373 -18.811 0.40 51.23 ? 249 ALA D N 1 ? ? +15103 ATOM N N B ALA D 4 239 ? 37.053 -54.338 -18.819 0.60 51.05 ? 249 ALA D N 1 ? ? +15104 ATOM C CA A ALA D 4 239 ? 36.272 -53.686 -19.790 0.40 50.39 ? 249 ALA D CA 1 ? ? +15105 ATOM C CA B ALA D 4 239 ? 36.256 -53.649 -19.819 0.60 50.20 ? 249 ALA D CA 1 ? ? +15106 ATOM C C A ALA D 4 239 ? 36.205 -52.199 -19.460 0.40 49.83 ? 249 ALA D C 1 ? ? +15107 ATOM C C B ALA D 4 239 ? 36.174 -52.160 -19.498 0.60 49.60 ? 249 ALA D C 1 ? ? +15108 ATOM O O A ALA D 4 239 ? 36.402 -51.352 -20.328 0.40 49.41 ? 249 ALA D O 1 ? ? +15109 ATOM O O B ALA D 4 239 ? 36.380 -51.319 -20.370 0.60 49.16 ? 249 ALA D O 1 ? ? +15110 ATOM C CB A ALA D 4 239 ? 34.873 -54.291 -19.821 0.40 50.20 ? 249 ALA D CB 1 ? ? +15111 ATOM C CB B ALA D 4 239 ? 34.857 -54.256 -19.892 0.60 49.99 ? 249 ALA D CB 1 ? ? +15112 ATOM N N A ASN D 4 240 ? 35.934 -51.898 -18.187 0.40 49.79 ? 250 ASN D N 1 ? ? +15113 ATOM N N B ASN D 4 240 ? 35.885 -51.854 -18.230 0.60 49.55 ? 250 ASN D N 1 ? ? +15114 ATOM C CA A ASN D 4 240 ? 35.750 -50.527 -17.748 0.40 49.36 ? 250 ASN D CA 1 ? ? +15115 ATOM C CA B ASN D 4 240 ? 35.723 -50.482 -17.785 0.60 49.11 ? 250 ASN D CA 1 ? ? +15116 ATOM C C A ASN D 4 240 ? 37.014 -49.705 -17.973 0.40 49.37 ? 250 ASN D C 1 ? ? +15117 ATOM C C B ASN D 4 240 ? 37.000 -49.671 -17.972 0.60 49.13 ? 250 ASN D C 1 ? ? +15118 ATOM O O A ASN D 4 240 ? 36.952 -48.623 -18.547 0.40 48.89 ? 250 ASN D O 1 ? ? +15119 ATOM O O B ASN D 4 240 ? 36.947 -48.538 -18.438 0.60 48.64 ? 250 ASN D O 1 ? ? +15120 ATOM C CB A ASN D 4 240 ? 35.308 -50.467 -16.279 0.40 49.53 ? 250 ASN D CB 1 ? ? +15121 ATOM C CB B ASN D 4 240 ? 35.259 -50.426 -16.322 0.60 49.28 ? 250 ASN D CB 1 ? ? +15122 ATOM C CG A ASN D 4 240 ? 35.099 -49.056 -15.775 0.40 49.17 ? 250 ASN D CG 1 ? ? +15123 ATOM C CG B ASN D 4 240 ? 35.174 -49.019 -15.769 0.60 48.99 ? 250 ASN D CG 1 ? ? +15124 ATOM O OD1 A ASN D 4 240 ? 36.028 -48.398 -15.316 0.40 49.37 ? 250 ASN D OD1 1 ? ? +15125 ATOM O OD1 B ASN D 4 240 ? 36.154 -48.471 -15.283 0.60 49.24 ? 250 ASN D OD1 1 ? ? +15126 ATOM N ND2 A ASN D 4 240 ? 33.860 -48.559 -15.826 0.40 48.67 ? 250 ASN D ND2 1 ? ? +15127 ATOM N ND2 B ASN D 4 240 ? 33.990 -48.405 -15.804 0.60 48.48 ? 250 ASN D ND2 1 ? ? +15128 ATOM N N A ARG D 4 241 ? 38.163 -50.231 -17.535 0.40 49.97 ? 251 ARG D N 1 ? ? +15129 ATOM N N B ARG D 4 241 ? 38.146 -50.257 -17.610 0.60 49.72 ? 251 ARG D N 1 ? ? +15130 ATOM C CA A ARG D 4 241 ? 39.414 -49.506 -17.690 0.40 50.12 ? 251 ARG D CA 1 ? ? +15131 ATOM C CA B ARG D 4 241 ? 39.407 -49.548 -17.753 0.60 49.89 ? 251 ARG D CA 1 ? ? +15132 ATOM C C A ARG D 4 241 ? 39.711 -49.264 -19.166 0.40 49.74 ? 251 ARG D C 1 ? ? +15133 ATOM C C B ARG D 4 241 ? 39.718 -49.288 -19.223 0.60 49.48 ? 251 ARG D C 1 ? ? +15134 ATOM O O A ARG D 4 241 ? 40.033 -48.147 -19.559 0.40 49.44 ? 251 ARG D O 1 ? ? +15135 ATOM O O B ARG D 4 241 ? 40.070 -48.170 -19.589 0.60 49.20 ? 251 ARG D O 1 ? ? +15136 ATOM C CB A ARG D 4 241 ? 40.589 -50.239 -17.048 0.40 50.95 ? 251 ARG D CB 1 ? ? +15137 ATOM C CB B ARG D 4 241 ? 40.572 -50.295 -17.121 0.60 50.74 ? 251 ARG D CB 1 ? ? +15138 ATOM C CG A ARG D 4 241 ? 41.724 -49.286 -16.700 0.40 51.25 ? 251 ARG D CG 1 ? ? +15139 ATOM C CG B ARG D 4 241 ? 41.704 -49.331 -16.831 0.60 51.05 ? 251 ARG D CG 1 ? ? +15140 ATOM C CD A ARG D 4 241 ? 43.019 -50.006 -16.538 0.40 52.05 ? 251 ARG D CD 1 ? ? +15141 ATOM C CD B ARG D 4 241 ? 42.950 -50.010 -16.421 0.60 51.93 ? 251 ARG D CD 1 ? ? +15142 ATOM N NE A ARG D 4 241 ? 44.129 -49.098 -16.271 0.40 52.38 ? 251 ARG D NE 1 ? ? +15143 ATOM N NE B ARG D 4 241 ? 44.040 -49.056 -16.250 0.60 52.26 ? 251 ARG D NE 1 ? ? +15144 ATOM C CZ A ARG D 4 241 ? 44.427 -48.602 -15.077 0.40 52.71 ? 251 ARG D CZ 1 ? ? +15145 ATOM C CZ B ARG D 4 241 ? 44.404 -48.530 -15.088 0.60 52.64 ? 251 ARG D CZ 1 ? ? +15146 ATOM N NH1 A ARG D 4 241 ? 43.573 -48.663 -14.070 0.40 52.63 ? 251 ARG D NH1 1 ? ? +15147 ATOM N NH1 B ARG D 4 241 ? 43.553 -48.418 -14.083 0.60 52.55 ? 251 ARG D NH1 1 ? ? +15148 ATOM N NH2 A ARG D 4 241 ? 45.614 -48.032 -14.891 0.40 53.13 ? 251 ARG D NH2 1 ? ? +15149 ATOM N NH2 B ARG D 4 241 ? 45.647 -48.076 -14.943 0.60 53.12 ? 251 ARG D NH2 1 ? ? +15150 ATOM N N A PHE D 4 242 ? 39.588 -50.321 -19.976 0.40 49.75 ? 252 PHE D N 1 ? ? +15151 ATOM N N B PHE D 4 242 ? 39.573 -50.329 -20.049 0.60 49.46 ? 252 PHE D N 1 ? ? +15152 ATOM C CA A PHE D 4 242 ? 39.811 -50.212 -21.407 0.40 49.49 ? 252 PHE D CA 1 ? ? +15153 ATOM C CA B PHE D 4 242 ? 39.794 -50.207 -21.479 0.60 49.18 ? 252 PHE D CA 1 ? ? +15154 ATOM C C A PHE D 4 242 ? 39.084 -49.007 -21.997 0.40 48.78 ? 252 PHE D C 1 ? ? +15155 ATOM C C B PHE D 4 242 ? 39.072 -48.992 -22.052 0.60 48.46 ? 252 PHE D C 1 ? ? +15156 ATOM O O A PHE D 4 242 ? 39.715 -48.137 -22.594 0.40 48.64 ? 252 PHE D O 1 ? ? +15157 ATOM O O B PHE D 4 242 ? 39.707 -48.115 -22.635 0.60 48.32 ? 252 PHE D O 1 ? ? +15158 ATOM C CB A PHE D 4 242 ? 39.365 -51.488 -22.130 0.40 49.56 ? 252 PHE D CB 1 ? ? +15159 ATOM C CB B PHE D 4 242 ? 39.335 -51.475 -22.205 0.60 49.23 ? 252 PHE D CB 1 ? ? +15160 ATOM C CG A PHE D 4 242 ? 39.470 -51.403 -23.636 0.40 49.31 ? 252 PHE D CG 1 ? ? +15161 ATOM C CG B PHE D 4 242 ? 39.463 -51.412 -23.709 0.60 49.00 ? 252 PHE D CG 1 ? ? +15162 ATOM C CD1 A PHE D 4 242 ? 40.696 -51.517 -24.268 0.40 49.67 ? 252 PHE D CD1 1 ? ? +15163 ATOM C CD1 B PHE D 4 242 ? 40.685 -51.615 -24.325 0.60 49.37 ? 252 PHE D CD1 1 ? ? +15164 ATOM C CD2 A PHE D 4 242 ? 38.343 -51.186 -24.417 0.40 48.76 ? 252 PHE D CD2 1 ? ? +15165 ATOM C CD2 B PHE D 4 242 ? 38.358 -51.133 -24.506 0.60 48.42 ? 252 PHE D CD2 1 ? ? +15166 ATOM C CE1 A PHE D 4 242 ? 40.796 -51.434 -25.650 0.40 49.45 ? 252 PHE D CE1 1 ? ? +15167 ATOM C CE1 B PHE D 4 242 ? 40.807 -51.557 -25.707 0.60 49.17 ? 252 PHE D CE1 1 ? ? +15168 ATOM C CE2 A PHE D 4 242 ? 38.445 -51.097 -25.798 0.40 48.55 ? 252 PHE D CE2 1 ? ? +15169 ATOM C CE2 B PHE D 4 242 ? 38.481 -51.067 -25.888 0.60 48.23 ? 252 PHE D CE2 1 ? ? +15170 ATOM C CZ A PHE D 4 242 ? 39.676 -51.221 -26.407 0.40 48.91 ? 252 PHE D CZ 1 ? ? +15171 ATOM C CZ B PHE D 4 242 ? 39.713 -51.280 -26.482 0.60 48.62 ? 252 PHE D CZ 1 ? ? +15172 ATOM N N A TRP D 4 243 ? 37.752 -48.974 -21.830 0.40 48.34 ? 253 TRP D N 1 ? ? +15173 ATOM N N B TRP D 4 243 ? 37.738 -48.956 -21.879 0.60 48.02 ? 253 TRP D N 1 ? ? +15174 ATOM C CA A TRP D 4 243 ? 36.921 -47.947 -22.434 0.40 47.68 ? 253 TRP D CA 1 ? ? +15175 ATOM C CA B TRP D 4 243 ? 36.914 -47.922 -22.478 0.60 47.36 ? 253 TRP D CA 1 ? ? +15176 ATOM C C A TRP D 4 243 ? 37.148 -46.564 -21.827 0.40 47.56 ? 253 TRP D C 1 ? ? +15177 ATOM C C B TRP D 4 243 ? 37.152 -46.544 -21.867 0.60 47.23 ? 253 TRP D C 1 ? ? +15178 ATOM O O A TRP D 4 243 ? 37.151 -45.561 -22.535 0.40 47.16 ? 253 TRP D O 1 ? ? +15179 ATOM O O B TRP D 4 243 ? 37.138 -45.542 -22.575 0.60 46.84 ? 253 TRP D O 1 ? ? +15180 ATOM C CB A TRP D 4 243 ? 35.438 -48.365 -22.365 0.40 47.33 ? 253 TRP D CB 1 ? ? +15181 ATOM C CB B TRP D 4 243 ? 35.421 -48.326 -22.419 0.60 46.99 ? 253 TRP D CB 1 ? ? +15182 ATOM C CG A TRP D 4 243 ? 35.099 -49.372 -23.416 0.40 47.29 ? 253 TRP D CG 1 ? ? +15183 ATOM C CG B TRP D 4 243 ? 35.087 -49.362 -23.441 0.60 46.97 ? 253 TRP D CG 1 ? ? +15184 ATOM C CD1 A TRP D 4 243 ? 34.664 -50.651 -23.231 0.40 47.53 ? 253 TRP D CD1 1 ? ? +15185 ATOM C CD1 B TRP D 4 243 ? 34.651 -50.633 -23.217 0.60 47.23 ? 253 TRP D CD1 1 ? ? +15186 ATOM C CD2 A TRP D 4 243 ? 35.216 -49.189 -24.829 0.40 47.02 ? 253 TRP D CD2 1 ? ? +15187 ATOM C CD2 B TRP D 4 243 ? 35.216 -49.225 -24.859 0.60 46.72 ? 253 TRP D CD2 1 ? ? +15188 ATOM N NE1 A TRP D 4 243 ? 34.499 -51.274 -24.445 0.40 47.45 ? 253 TRP D NE1 1 ? ? +15189 ATOM N NE1 B TRP D 4 243 ? 34.497 -51.297 -24.412 0.60 47.16 ? 253 TRP D NE1 1 ? ? +15190 ATOM C CE2 A TRP D 4 243 ? 34.830 -50.396 -25.443 0.40 47.14 ? 253 TRP D CE2 1 ? ? +15191 ATOM C CE2 B TRP D 4 243 ? 34.837 -50.453 -25.436 0.60 46.85 ? 253 TRP D CE2 1 ? ? +15192 ATOM C CE3 A TRP D 4 243 ? 35.599 -48.114 -25.638 0.40 46.72 ? 253 TRP D CE3 1 ? ? +15193 ATOM C CE3 B TRP D 4 243 ? 35.604 -48.175 -25.703 0.60 46.42 ? 253 TRP D CE3 1 ? ? +15194 ATOM C CZ2 A TRP D 4 243 ? 34.811 -50.551 -26.824 0.40 46.98 ? 253 TRP D CZ2 1 ? ? +15195 ATOM C CZ2 B TRP D 4 243 ? 34.831 -50.656 -26.811 0.60 46.72 ? 253 TRP D CZ2 1 ? ? +15196 ATOM C CZ3 A TRP D 4 243 ? 35.582 -48.273 -27.004 0.40 46.56 ? 253 TRP D CZ3 1 ? ? +15197 ATOM C CZ3 B TRP D 4 243 ? 35.598 -48.380 -27.063 0.60 46.29 ? 253 TRP D CZ3 1 ? ? +15198 ATOM C CH2 A TRP D 4 243 ? 35.187 -49.478 -27.583 0.40 46.70 ? 253 TRP D CH2 1 ? ? +15199 ATOM C CH2 B TRP D 4 243 ? 35.207 -49.606 -27.604 0.60 46.44 ? 253 TRP D CH2 1 ? ? +15200 ATOM N N A SER D 4 244 ? 37.353 -46.511 -20.511 0.40 47.94 ? 254 SER D N 1 ? ? +15201 ATOM N N B SER D 4 244 ? 37.380 -46.494 -20.554 0.60 47.62 ? 254 SER D N 1 ? ? +15202 ATOM C CA A SER D 4 244 ? 37.712 -45.261 -19.861 0.40 47.96 ? 254 SER D CA 1 ? ? +15203 ATOM C CA B SER D 4 244 ? 37.740 -45.247 -19.900 0.60 47.65 ? 254 SER D CA 1 ? ? +15204 ATOM C C A SER D 4 244 ? 38.953 -44.626 -20.490 0.40 48.24 ? 254 SER D C 1 ? ? +15205 ATOM C C B SER D 4 244 ? 38.989 -44.607 -20.511 0.60 47.94 ? 254 SER D C 1 ? ? +15206 ATOM O O A SER D 4 244 ? 39.016 -43.409 -20.654 0.40 47.98 ? 254 SER D O 1 ? ? +15207 ATOM O O B SER D 4 244 ? 39.039 -43.390 -20.683 0.60 47.66 ? 254 SER D O 1 ? ? +15208 ATOM C CB A SER D 4 244 ? 37.943 -45.483 -18.373 0.40 48.38 ? 254 SER D CB 1 ? ? +15209 ATOM C CB B SER D 4 244 ? 37.959 -45.467 -18.410 0.60 48.05 ? 254 SER D CB 1 ? ? +15210 ATOM O OG A SER D 4 244 ? 36.852 -46.178 -17.798 0.40 48.32 ? 254 SER D OG 1 ? ? +15211 ATOM O OG B SER D 4 244 ? 36.812 -46.033 -17.807 0.60 47.96 ? 254 SER D OG 1 ? ? +15212 ATOM N N A GLN D 4 245 ? 39.942 -45.457 -20.844 0.40 48.83 ? 255 GLN D N 1 ? ? +15213 ATOM N N B GLN D 4 245 ? 39.985 -45.438 -20.849 0.60 48.54 ? 255 GLN D N 1 ? ? +15214 ATOM C CA A GLN D 4 245 ? 41.196 -44.946 -21.374 0.40 49.22 ? 255 GLN D CA 1 ? ? +15215 ATOM C CA B GLN D 4 245 ? 41.246 -44.945 -21.381 0.60 48.95 ? 255 GLN D CA 1 ? ? +15216 ATOM C C A GLN D 4 245 ? 41.133 -44.712 -22.881 0.40 48.96 ? 255 GLN D C 1 ? ? +15217 ATOM C C B GLN D 4 245 ? 41.213 -44.708 -22.889 0.60 48.73 ? 255 GLN D C 1 ? ? +15218 ATOM O O A GLN D 4 245 ? 41.874 -43.888 -23.417 0.40 49.01 ? 255 GLN D O 1 ? ? +15219 ATOM O O B GLN D 4 245 ? 42.017 -43.933 -23.411 0.60 48.82 ? 255 GLN D O 1 ? ? +15220 ATOM C CB A GLN D 4 245 ? 42.361 -45.899 -21.038 0.40 49.99 ? 255 GLN D CB 1 ? ? +15221 ATOM C CB B GLN D 4 245 ? 42.395 -45.919 -21.043 0.60 49.69 ? 255 GLN D CB 1 ? ? +15222 ATOM C CG A GLN D 4 245 ? 42.707 -45.894 -19.563 0.40 50.44 ? 255 GLN D CG 1 ? ? +15223 ATOM C CG B GLN D 4 245 ? 42.746 -45.913 -19.573 0.60 50.14 ? 255 GLN D CG 1 ? ? +15224 ATOM C CD A GLN D 4 245 ? 43.783 -46.873 -19.230 0.40 51.22 ? 255 GLN D CD 1 ? ? +15225 ATOM C CD B GLN D 4 245 ? 43.867 -46.843 -19.257 0.60 50.93 ? 255 GLN D CD 1 ? ? +15226 ATOM O OE1 A GLN D 4 245 ? 43.547 -48.084 -19.135 0.40 51.46 ? 255 GLN D OE1 1 ? ? +15227 ATOM O OE1 B GLN D 4 245 ? 43.677 -48.061 -19.114 0.60 51.22 ? 255 GLN D OE1 1 ? ? +15228 ATOM N NE2 A GLN D 4 245 ? 44.993 -46.368 -19.020 0.40 51.68 ? 255 GLN D NE2 1 ? ? +15229 ATOM N NE2 B GLN D 4 245 ? 45.071 -46.288 -19.114 0.60 51.36 ? 255 GLN D NE2 1 ? ? +15230 ATOM N N A ILE D 4 246 ? 40.260 -45.462 -23.558 0.40 48.76 ? 256 ILE D N 1 ? ? +15231 ATOM N N B ILE D 4 246 ? 40.310 -45.411 -23.580 0.60 48.51 ? 256 ILE D N 1 ? ? +15232 ATOM C CA A ILE D 4 246 ? 40.107 -45.336 -24.997 0.40 48.51 ? 256 ILE D CA 1 ? ? +15233 ATOM C CA B ILE D 4 246 ? 40.162 -45.268 -25.020 0.60 48.29 ? 256 ILE D CA 1 ? ? +15234 ATOM C C A ILE D 4 246 ? 39.236 -44.129 -25.322 0.40 47.98 ? 256 ILE D C 1 ? ? +15235 ATOM C C B ILE D 4 246 ? 39.264 -44.082 -25.339 0.60 47.80 ? 256 ILE D C 1 ? ? +15236 ATOM O O A ILE D 4 246 ? 39.626 -43.273 -26.111 0.40 47.83 ? 256 ILE D O 1 ? ? +15237 ATOM O O B ILE D 4 246 ? 39.636 -43.219 -26.128 0.60 47.64 ? 256 ILE D O 1 ? ? +15238 ATOM C CB A ILE D 4 246 ? 39.516 -46.634 -25.606 0.40 48.49 ? 256 ILE D CB 1 ? ? +15239 ATOM C CB B ILE D 4 246 ? 39.608 -46.579 -25.651 0.60 48.27 ? 256 ILE D CB 1 ? ? +15240 ATOM C CG1 A ILE D 4 246 ? 40.545 -47.761 -25.570 0.40 49.12 ? 256 ILE D CG1 1 ? ? +15241 ATOM C CG1 B ILE D 4 246 ? 40.687 -47.671 -25.660 0.60 48.89 ? 256 ILE D CG1 1 ? ? +15242 ATOM C CG2 A ILE D 4 246 ? 39.013 -46.408 -27.017 0.40 48.06 ? 256 ILE D CG2 1 ? ? +15243 ATOM C CG2 B ILE D 4 246 ? 39.051 -46.354 -27.047 0.60 47.82 ? 256 ILE D CG2 1 ? ? +15244 ATOM C CD1 A ILE D 4 246 ? 41.747 -47.494 -26.418 0.40 49.37 ? 256 ILE D CD1 1 ? ? +15245 ATOM C CD1 B ILE D 4 246 ? 41.863 -47.407 -26.546 0.60 49.13 ? 256 ILE D CD1 1 ? ? +15246 ATOM N N A PHE D 4 247 ? 38.069 -44.076 -24.671 0.40 47.79 ? 257 PHE D N 1 ? ? +15247 ATOM N N B PHE D 4 247 ? 38.082 -44.070 -24.708 0.60 47.66 ? 257 PHE D N 1 ? ? +15248 ATOM C CA A PHE D 4 247 ? 37.005 -43.164 -25.048 0.40 47.26 ? 257 PHE D CA 1 ? ? +15249 ATOM C CA B PHE D 4 247 ? 37.016 -43.151 -25.061 0.60 47.18 ? 257 PHE D CA 1 ? ? +15250 ATOM C C A PHE D 4 247 ? 36.803 -42.027 -24.046 0.40 47.23 ? 257 PHE D C 1 ? ? +15251 ATOM C C B PHE D 4 247 ? 36.782 -42.037 -24.041 0.60 47.20 ? 257 PHE D C 1 ? ? +15252 ATOM O O A PHE D 4 247 ? 36.283 -40.974 -24.401 0.40 46.87 ? 257 PHE D O 1 ? ? +15253 ATOM O O B PHE D 4 247 ? 36.201 -41.011 -24.377 0.60 46.93 ? 257 PHE D O 1 ? ? +15254 ATOM C CB A PHE D 4 247 ? 35.729 -43.985 -25.204 0.40 47.02 ? 257 PHE D CB 1 ? ? +15255 ATOM C CB B PHE D 4 247 ? 35.750 -43.967 -25.239 0.60 46.95 ? 257 PHE D CB 1 ? ? +15256 ATOM C CG A PHE D 4 247 ? 34.560 -43.248 -25.799 0.40 46.45 ? 257 PHE D CG 1 ? ? +15257 ATOM C CG B PHE D 4 247 ? 34.594 -43.222 -25.853 0.60 46.38 ? 257 PHE D CG 1 ? ? +15258 ATOM C CD1 A PHE D 4 247 ? 34.663 -42.637 -27.034 0.40 46.19 ? 257 PHE D CD1 1 ? ? +15259 ATOM C CD1 B PHE D 4 247 ? 34.724 -42.602 -27.081 0.60 46.14 ? 257 PHE D CD1 1 ? ? +15260 ATOM C CD2 A PHE D 4 247 ? 33.352 -43.190 -25.136 0.40 46.19 ? 257 PHE D CD2 1 ? ? +15261 ATOM C CD2 B PHE D 4 247 ? 33.371 -43.170 -25.216 0.60 46.11 ? 257 PHE D CD2 1 ? ? +15262 ATOM C CE1 A PHE D 4 247 ? 33.583 -41.968 -27.582 0.40 45.70 ? 257 PHE D CE1 1 ? ? +15263 ATOM C CE1 B PHE D 4 247 ? 33.655 -41.928 -27.650 0.60 45.65 ? 257 PHE D CE1 1 ? ? +15264 ATOM C CE2 A PHE D 4 247 ? 32.277 -42.529 -25.690 0.40 45.70 ? 257 PHE D CE2 1 ? ? +15265 ATOM C CE2 B PHE D 4 247 ? 32.307 -42.505 -25.790 0.60 45.63 ? 257 PHE D CE2 1 ? ? +15266 ATOM C CZ A PHE D 4 247 ? 32.400 -41.918 -26.907 0.40 45.46 ? 257 PHE D CZ 1 ? ? +15267 ATOM C CZ B PHE D 4 247 ? 32.458 -41.881 -27.000 0.60 45.41 ? 257 PHE D CZ 1 ? ? +15268 ATOM N N . GLY D 4 248 ? 37.230 -42.237 -22.798 1.00 47.72 ? 258 GLY D N 1 ? ? +15269 ATOM C CA . GLY D 4 248 ? 37.084 -41.234 -21.752 1.00 47.80 ? 258 GLY D CA 1 ? ? +15270 ATOM C C . GLY D 4 248 ? 36.080 -41.656 -20.682 1.00 48.01 ? 258 GLY D C 1 ? ? +15271 ATOM O O . GLY D 4 248 ? 36.339 -41.510 -19.486 1.00 48.22 ? 258 GLY D O 1 ? ? +15272 ATOM N N A ILE D 4 249 ? 34.928 -42.168 -21.129 0.40 47.80 ? 259 ILE D N 1 ? ? +15273 ATOM N N B ILE D 4 249 ? 34.936 -42.177 -21.135 0.60 47.93 ? 259 ILE D N 1 ? ? +15274 ATOM C CA A ILE D 4 249 ? 33.930 -42.708 -20.222 0.40 47.93 ? 259 ILE D CA 1 ? ? +15275 ATOM C CA B ILE D 4 249 ? 33.939 -42.724 -20.233 0.60 48.13 ? 259 ILE D CA 1 ? ? +15276 ATOM C C A ILE D 4 249 ? 33.625 -44.169 -20.543 0.40 48.17 ? 259 ILE D C 1 ? ? +15277 ATOM C C B ILE D 4 249 ? 33.661 -44.190 -20.551 0.60 48.43 ? 259 ILE D C 1 ? ? +15278 ATOM O O A ILE D 4 249 ? 33.997 -44.685 -21.596 0.40 48.24 ? 259 ILE D O 1 ? ? +15279 ATOM O O B ILE D 4 249 ? 33.978 -44.678 -21.633 0.60 48.49 ? 259 ILE D O 1 ? ? +15280 ATOM C CB A ILE D 4 249 ? 32.661 -41.822 -20.215 0.40 47.46 ? 259 ILE D CB 1 ? ? +15281 ATOM C CB B ILE D 4 249 ? 32.655 -41.869 -20.262 0.60 47.69 ? 259 ILE D CB 1 ? ? +15282 ATOM C CG1 A ILE D 4 249 ? 32.009 -41.727 -21.590 0.40 47.08 ? 259 ILE D CG1 1 ? ? +15283 ATOM C CG1 B ILE D 4 249 ? 32.011 -41.836 -21.648 0.60 47.35 ? 259 ILE D CG1 1 ? ? +15284 ATOM C CG2 A ILE D 4 249 ? 32.983 -40.444 -19.669 0.40 47.38 ? 259 ILE D CG2 1 ? ? +15285 ATOM C CG2 B ILE D 4 249 ? 32.951 -40.473 -19.760 0.60 47.60 ? 259 ILE D CG2 1 ? ? +15286 ATOM C CD1 A ILE D 4 249 ? 30.975 -42.619 -21.774 0.40 47.03 ? 259 ILE D CD1 1 ? ? +15287 ATOM C CD1 B ILE D 4 249 ? 30.911 -42.672 -21.831 0.60 47.29 ? 259 ILE D CD1 1 ? ? +15288 ATOM N N A ALA D 4 250 ? 32.966 -44.829 -19.587 0.40 48.33 ? 260 ALA D N 1 ? ? +15289 ATOM N N B ALA D 4 250 ? 33.068 -44.875 -19.571 0.60 48.64 ? 260 ALA D N 1 ? ? +15290 ATOM C CA A ALA D 4 250 ? 32.654 -46.241 -19.686 0.40 48.55 ? 260 ALA D CA 1 ? ? +15291 ATOM C CA B ALA D 4 250 ? 32.750 -46.284 -19.678 0.60 48.87 ? 260 ALA D CA 1 ? ? +15292 ATOM C C A ALA D 4 250 ? 31.503 -46.570 -18.740 0.40 48.53 ? 260 ALA D C 1 ? ? +15293 ATOM C C B ALA D 4 250 ? 31.561 -46.606 -18.775 0.60 48.87 ? 260 ALA D C 1 ? ? +15294 ATOM O O A ALA D 4 250 ? 31.228 -45.831 -17.797 0.40 48.44 ? 260 ALA D O 1 ? ? +15295 ATOM O O B ALA D 4 250 ? 31.249 -45.864 -17.845 0.60 48.78 ? 260 ALA D O 1 ? ? +15296 ATOM C CB A ALA D 4 250 ? 33.882 -47.079 -19.347 0.40 49.11 ? 260 ALA D CB 1 ? ? +15297 ATOM C CB B ALA D 4 250 ? 33.958 -47.117 -19.286 0.60 49.41 ? 260 ALA D CB 1 ? ? +15298 ATOM N N A PHE D 4 251 ? 30.832 -47.690 -19.008 0.40 48.64 ? 261 PHE D N 1 ? ? +15299 ATOM N N B PHE D 4 251 ? 30.901 -47.728 -19.059 0.60 49.00 ? 261 PHE D N 1 ? ? +15300 ATOM C CA A PHE D 4 251 ? 29.877 -48.241 -18.065 0.40 48.81 ? 261 PHE D CA 1 ? ? +15301 ATOM C CA B PHE D 4 251 ? 29.926 -48.277 -18.137 0.60 49.20 ? 261 PHE D CA 1 ? ? +15302 ATOM C C A PHE D 4 251 ? 30.623 -48.803 -16.860 0.40 49.49 ? 261 PHE D C 1 ? ? +15303 ATOM C C B PHE D 4 251 ? 30.658 -48.825 -16.916 0.60 49.96 ? 261 PHE D C 1 ? ? +15304 ATOM O O A PHE D 4 251 ? 31.716 -49.357 -16.993 0.40 49.87 ? 261 PHE D O 1 ? ? +15305 ATOM O O B PHE D 4 251 ? 31.748 -49.392 -17.036 0.60 50.33 ? 261 PHE D O 1 ? ? +15306 ATOM C CB A PHE D 4 251 ? 29.040 -49.333 -18.733 0.40 48.79 ? 261 PHE D CB 1 ? ? +15307 ATOM C CB B PHE D 4 251 ? 29.102 -49.376 -18.812 0.60 49.17 ? 261 PHE D CB 1 ? ? +15308 ATOM C CG A PHE D 4 251 ? 28.025 -48.821 -19.723 0.40 48.21 ? 261 PHE D CG 1 ? ? +15309 ATOM C CG B PHE D 4 251 ? 28.084 -48.868 -19.800 0.60 48.58 ? 261 PHE D CG 1 ? ? +15310 ATOM C CD1 A PHE D 4 251 ? 26.797 -48.347 -19.297 0.40 47.95 ? 261 PHE D CD1 1 ? ? +15311 ATOM C CD1 B PHE D 4 251 ? 26.893 -48.309 -19.365 0.60 48.31 ? 261 PHE D CD1 1 ? ? +15312 ATOM C CD2 A PHE D 4 251 ? 28.297 -48.817 -21.077 0.40 47.99 ? 261 PHE D CD2 1 ? ? +15313 ATOM C CD2 B PHE D 4 251 ? 28.310 -48.958 -21.161 0.60 48.36 ? 261 PHE D CD2 1 ? ? +15314 ATOM C CE1 A PHE D 4 251 ? 25.861 -47.886 -20.210 0.40 47.49 ? 261 PHE D CE1 1 ? ? +15315 ATOM C CE1 B PHE D 4 251 ? 25.950 -47.855 -20.276 0.60 47.86 ? 261 PHE D CE1 1 ? ? +15316 ATOM C CE2 A PHE D 4 251 ? 27.365 -48.345 -21.983 0.40 47.54 ? 261 PHE D CE2 1 ? ? +15317 ATOM C CE2 B PHE D 4 251 ? 27.375 -48.486 -22.065 0.60 47.91 ? 261 PHE D CE2 1 ? ? +15318 ATOM C CZ A PHE D 4 251 ? 26.151 -47.888 -21.546 0.40 47.30 ? 261 PHE D CZ 1 ? ? +15319 ATOM C CZ B PHE D 4 251 ? 26.196 -47.949 -21.619 0.60 47.68 ? 261 PHE D CZ 1 ? ? +15320 ATOM N N A SER D 4 252 ? 30.025 -48.644 -15.677 0.40 49.64 ? 262 SER D N 1 ? ? +15321 ATOM N N B SER D 4 252 ? 30.061 -48.620 -15.739 0.60 50.21 ? 262 SER D N 1 ? ? +15322 ATOM C CA A SER D 4 252 ? 30.528 -49.302 -14.486 0.40 50.27 ? 262 SER D CA 1 ? ? +15323 ATOM C CA B SER D 4 252 ? 30.508 -49.283 -14.527 0.60 50.91 ? 262 SER D CA 1 ? ? +15324 ATOM C C A SER D 4 252 ? 29.423 -50.156 -13.878 0.40 50.49 ? 262 SER D C 1 ? ? +15325 ATOM C C B SER D 4 252 ? 29.397 -50.136 -13.927 0.60 51.22 ? 262 SER D C 1 ? ? +15326 ATOM O O A SER D 4 252 ? 29.688 -51.014 -13.042 0.40 50.99 ? 262 SER D O 1 ? ? +15327 ATOM O O B SER D 4 252 ? 29.674 -51.025 -13.131 0.60 51.75 ? 262 SER D O 1 ? ? +15328 ATOM C CB A SER D 4 252 ? 31.049 -48.288 -13.474 0.40 50.36 ? 262 SER D CB 1 ? ? +15329 ATOM C CB B SER D 4 252 ? 31.003 -48.266 -13.508 0.60 51.00 ? 262 SER D CB 1 ? ? +15330 ATOM O OG A SER D 4 252 ? 29.990 -47.538 -12.906 0.40 50.05 ? 262 SER D OG 1 ? ? +15331 ATOM O OG B SER D 4 252 ? 29.940 -47.481 -13.000 0.60 50.69 ? 262 SER D OG 1 ? ? +15332 ATOM N N A ASN D 4 253 ? 28.186 -49.912 -14.325 0.40 50.21 ? 263 ASN D N 1 ? ? +15333 ATOM N N B ASN D 4 253 ? 28.147 -49.859 -14.322 0.60 51.07 ? 263 ASN D N 1 ? ? +15334 ATOM C CA A ASN D 4 253 ? 27.025 -50.620 -13.809 0.40 50.45 ? 263 ASN D CA 1 ? ? +15335 ATOM C CA B ASN D 4 253 ? 26.991 -50.564 -13.791 0.60 51.43 ? 263 ASN D CA 1 ? ? +15336 ATOM C C A ASN D 4 253 ? 26.360 -51.442 -14.906 0.40 50.45 ? 263 ASN D C 1 ? ? +15337 ATOM C C B ASN D 4 253 ? 26.328 -51.389 -14.888 0.60 51.52 ? 263 ASN D C 1 ? ? +15338 ATOM O O A ASN D 4 253 ? 25.852 -50.890 -15.879 0.40 49.95 ? 263 ASN D O 1 ? ? +15339 ATOM O O B ASN D 4 253 ? 25.796 -50.842 -15.852 0.60 50.97 ? 263 ASN D O 1 ? ? +15340 ATOM C CB A ASN D 4 253 ? 26.005 -49.665 -13.199 0.40 50.12 ? 263 ASN D CB 1 ? ? +15341 ATOM C CB B ASN D 4 253 ? 25.977 -49.605 -13.168 0.60 51.12 ? 263 ASN D CB 1 ? ? +15342 ATOM C CG A ASN D 4 253 ? 24.839 -50.395 -12.583 0.40 50.30 ? 263 ASN D CG 1 ? ? +15343 ATOM C CG B ASN D 4 253 ? 24.851 -50.327 -12.456 0.60 51.32 ? 263 ASN D CG 1 ? ? +15344 ATOM O OD1 A ASN D 4 253 ? 24.162 -51.181 -13.240 0.40 50.29 ? 263 ASN D OD1 1 ? ? +15345 ATOM O OD1 B ASN D 4 253 ? 24.106 -51.093 -13.053 0.60 51.31 ? 263 ASN D OD1 1 ? ? +15346 ATOM N ND2 A ASN D 4 253 ? 24.594 -50.171 -11.309 0.40 50.51 ? 263 ASN D ND2 1 ? ? +15347 ATOM N ND2 B ASN D 4 253 ? 24.717 -50.126 -11.164 0.60 51.58 ? 263 ASN D ND2 1 ? ? +15348 ATOM N N A LYS D 4 254 ? 26.353 -52.762 -14.702 0.40 51.10 ? 264 LYS D N 1 ? ? +15349 ATOM N N B LYS D 4 254 ? 26.352 -52.711 -14.695 0.60 52.28 ? 264 LYS D N 1 ? ? +15350 ATOM C CA A LYS D 4 254 ? 25.931 -53.720 -15.708 0.40 51.27 ? 264 LYS D CA 1 ? ? +15351 ATOM C CA B LYS D 4 254 ? 25.895 -53.668 -15.682 0.60 52.54 ? 264 LYS D CA 1 ? ? +15352 ATOM C C A LYS D 4 254 ? 24.410 -53.797 -15.840 0.40 50.97 ? 264 LYS D C 1 ? ? +15353 ATOM C C B LYS D 4 254 ? 24.376 -53.652 -15.860 0.60 52.11 ? 264 LYS D C 1 ? ? +15354 ATOM O O A LYS D 4 254 ? 23.890 -54.294 -16.838 0.40 50.84 ? 264 LYS D O 1 ? ? +15355 ATOM O O B LYS D 4 254 ? 23.872 -53.980 -16.932 0.60 51.89 ? 264 LYS D O 1 ? ? +15356 ATOM C CB A LYS D 4 254 ? 26.502 -55.094 -15.346 0.40 52.16 ? 264 LYS D CB 1 ? ? +15357 ATOM C CB B LYS D 4 254 ? 26.387 -55.046 -15.251 0.60 53.68 ? 264 LYS D CB 1 ? ? +15358 ATOM C CG A LYS D 4 254 ? 26.139 -56.182 -16.333 0.40 52.49 ? 264 LYS D CG 1 ? ? +15359 ATOM C CG B LYS D 4 254 ? 26.209 -56.114 -16.300 0.60 54.24 ? 264 LYS D CG 1 ? ? +15360 ATOM C CD A LYS D 4 254 ? 26.489 -57.583 -15.843 0.40 53.32 ? 264 LYS D CD 1 ? ? +15361 ATOM C CD B LYS D 4 254 ? 26.575 -57.517 -15.811 0.60 55.26 ? 264 LYS D CD 1 ? ? +15362 ATOM C CE A LYS D 4 254 ? 27.944 -57.739 -15.534 0.40 53.82 ? 264 LYS D CE 1 ? ? +15363 ATOM C CE B LYS D 4 254 ? 28.029 -57.660 -15.507 0.60 55.90 ? 264 LYS D CE 1 ? ? +15364 ATOM N NZ A LYS D 4 254 ? 28.281 -59.169 -15.263 0.40 54.61 ? 264 LYS D NZ 1 ? ? +15365 ATOM N NZ B LYS D 4 254 ? 28.382 -59.093 -15.252 0.60 56.89 ? 264 LYS D NZ 1 ? ? +15366 ATOM N N A ARG D 4 255 ? 23.699 -53.304 -14.822 0.40 50.81 ? 265 ARG D N 1 ? ? +15367 ATOM N N B ARG D 4 255 ? 23.645 -53.264 -14.809 0.60 51.84 ? 265 ARG D N 1 ? ? +15368 ATOM C CA A ARG D 4 255 ? 22.251 -53.221 -14.888 0.40 50.48 ? 265 ARG D CA 1 ? ? +15369 ATOM C CA B ARG D 4 255 ? 22.198 -53.146 -14.890 0.60 51.38 ? 265 ARG D CA 1 ? ? +15370 ATOM C C A ARG D 4 255 ? 21.862 -52.015 -15.735 0.40 49.82 ? 265 ARG D C 1 ? ? +15371 ATOM C C B ARG D 4 255 ? 21.821 -51.916 -15.712 0.60 50.69 ? 265 ARG D C 1 ? ? +15372 ATOM O O A ARG D 4 255 ? 21.089 -52.138 -16.681 0.40 49.64 ? 265 ARG D O 1 ? ? +15373 ATOM O O B ARG D 4 255 ? 21.013 -52.002 -16.634 0.60 50.54 ? 265 ARG D O 1 ? ? +15374 ATOM C CB A ARG D 4 255 ? 21.643 -53.154 -13.483 0.40 50.66 ? 265 ARG D CB 1 ? ? +15375 ATOM C CB B ARG D 4 255 ? 21.573 -53.101 -13.488 0.60 51.53 ? 265 ARG D CB 1 ? ? +15376 ATOM C CG A ARG D 4 255 ? 21.773 -54.473 -12.755 0.40 51.31 ? 265 ARG D CG 1 ? ? +15377 ATOM C CG B ARG D 4 255 ? 21.723 -54.424 -12.760 0.60 52.14 ? 265 ARG D CG 1 ? ? +15378 ATOM C CD A ARG D 4 255 ? 21.099 -54.497 -11.406 0.40 51.58 ? 265 ARG D CD 1 ? ? +15379 ATOM C CD B ARG D 4 255 ? 21.120 -54.458 -11.381 0.60 52.45 ? 265 ARG D CD 1 ? ? +15380 ATOM N NE A ARG D 4 255 ? 21.108 -55.845 -10.850 0.40 52.24 ? 265 ARG D NE 1 ? ? +15381 ATOM N NE B ARG D 4 255 ? 21.181 -55.810 -10.835 0.60 53.08 ? 265 ARG D NE 1 ? ? +15382 ATOM C CZ A ARG D 4 255 ? 20.210 -56.314 -9.994 0.40 52.61 ? 265 ARG D CZ 1 ? ? +15383 ATOM C CZ B ARG D 4 255 ? 20.276 -56.345 -10.024 0.60 53.45 ? 265 ARG D CZ 1 ? ? +15384 ATOM N NH1 A ARG D 4 255 ? 19.212 -55.562 -9.558 0.40 52.42 ? 265 ARG D NH1 1 ? ? +15385 ATOM N NH1 B ARG D 4 255 ? 19.296 -55.621 -9.503 0.60 53.35 ? 265 ARG D NH1 1 ? ? +15386 ATOM N NH2 A ARG D 4 255 ? 20.298 -57.578 -9.588 0.40 53.20 ? 265 ARG D NH2 1 ? ? +15387 ATOM N NH2 B ARG D 4 255 ? 20.349 -57.641 -9.735 0.60 53.98 ? 265 ARG D NH2 1 ? ? +15388 ATOM N N A TRP D 4 256 ? 22.424 -50.851 -15.399 0.40 49.51 ? 266 TRP D N 1 ? ? +15389 ATOM N N B TRP D 4 256 ? 22.427 -50.771 -15.388 0.60 50.32 ? 266 TRP D N 1 ? ? +15390 ATOM C CA A TRP D 4 256 ? 22.239 -49.656 -16.204 0.40 48.88 ? 266 TRP D CA 1 ? ? +15391 ATOM C CA B TRP D 4 256 ? 22.265 -49.579 -16.202 0.60 49.63 ? 266 TRP D CA 1 ? ? +15392 ATOM C C A TRP D 4 256 ? 22.548 -49.944 -17.675 0.40 48.63 ? 266 TRP D C 1 ? ? +15393 ATOM C C B TRP D 4 256 ? 22.579 -49.846 -17.677 0.60 49.28 ? 266 TRP D C 1 ? ? +15394 ATOM O O A TRP D 4 256 ? 21.758 -49.612 -18.557 0.40 48.34 ? 266 TRP D O 1 ? ? +15395 ATOM O O B TRP D 4 256 ? 21.832 -49.429 -18.560 0.60 49.01 ? 266 TRP D O 1 ? ? +15396 ATOM C CB A TRP D 4 256 ? 23.109 -48.511 -15.649 0.40 48.77 ? 266 TRP D CB 1 ? ? +15397 ATOM C CB B TRP D 4 256 ? 23.145 -48.440 -15.661 0.60 49.56 ? 266 TRP D CB 1 ? ? +15398 ATOM C CG A TRP D 4 256 ? 23.188 -47.315 -16.542 0.40 48.26 ? 266 TRP D CG 1 ? ? +15399 ATOM C CG B TRP D 4 256 ? 23.211 -47.261 -16.572 0.60 49.07 ? 266 TRP D CG 1 ? ? +15400 ATOM C CD1 A TRP D 4 256 ? 24.307 -46.781 -17.101 0.40 48.16 ? 266 TRP D CD1 1 ? ? +15401 ATOM C CD1 B TRP D 4 256 ? 24.313 -46.756 -17.186 0.60 48.99 ? 266 TRP D CD1 1 ? ? +15402 ATOM C CD2 A TRP D 4 256 ? 22.093 -46.514 -16.990 0.40 47.87 ? 266 TRP D CD2 1 ? ? +15403 ATOM C CD2 B TRP D 4 256 ? 22.110 -46.460 -16.999 0.60 48.77 ? 266 TRP D CD2 1 ? ? +15404 ATOM N NE1 A TRP D 4 256 ? 23.977 -45.695 -17.874 0.40 47.67 ? 266 TRP D NE1 1 ? ? +15405 ATOM N NE1 B TRP D 4 256 ? 23.969 -45.683 -17.970 0.60 48.52 ? 266 TRP D NE1 1 ? ? +15406 ATOM C CE2 A TRP D 4 256 ? 22.621 -45.508 -17.821 0.40 47.47 ? 266 TRP D CE2 1 ? ? +15407 ATOM C CE2 B TRP D 4 256 ? 22.619 -45.477 -17.870 0.60 48.35 ? 266 TRP D CE2 1 ? ? +15408 ATOM C CE3 A TRP D 4 256 ? 20.712 -46.547 -16.767 0.40 47.79 ? 266 TRP D CE3 1 ? ? +15409 ATOM C CE3 B TRP D 4 256 ? 20.737 -46.472 -16.723 0.60 48.72 ? 266 TRP D CE3 1 ? ? +15410 ATOM C CZ2 A TRP D 4 256 ? 21.820 -44.546 -18.423 0.40 47.03 ? 266 TRP D CZ2 1 ? ? +15411 ATOM C CZ2 B TRP D 4 256 ? 21.807 -44.517 -18.460 0.60 47.93 ? 266 TRP D CZ2 1 ? ? +15412 ATOM C CZ3 A TRP D 4 256 ? 19.925 -45.593 -17.368 0.40 47.35 ? 266 TRP D CZ3 1 ? ? +15413 ATOM C CZ3 B TRP D 4 256 ? 19.938 -45.520 -17.311 0.60 48.30 ? 266 TRP D CZ3 1 ? ? +15414 ATOM C CH2 A TRP D 4 256 ? 20.479 -44.609 -18.186 0.40 46.97 ? 266 TRP D CH2 1 ? ? +15415 ATOM C CH2 B TRP D 4 256 ? 20.472 -44.559 -18.171 0.60 47.90 ? 266 TRP D CH2 1 ? ? +15416 ATOM N N A LEU D 4 257 ? 23.694 -50.588 -17.929 0.40 48.75 ? 267 LEU D N 1 ? ? +15417 ATOM N N B LEU D 4 257 ? 23.689 -50.550 -17.938 0.60 49.28 ? 267 LEU D N 1 ? ? +15418 ATOM C CA A LEU D 4 257 ? 24.144 -50.872 -19.282 0.40 48.50 ? 267 LEU D CA 1 ? ? +15419 ATOM C CA B LEU D 4 257 ? 24.117 -50.853 -19.294 0.60 48.94 ? 267 LEU D CA 1 ? ? +15420 ATOM C C A LEU D 4 257 ? 23.069 -51.581 -20.101 0.40 48.31 ? 267 LEU D C 1 ? ? +15421 ATOM C C B LEU D 4 257 ? 23.001 -51.539 -20.078 0.60 48.69 ? 267 LEU D C 1 ? ? +15422 ATOM O O A LEU D 4 257 ? 22.811 -51.220 -21.245 0.40 47.96 ? 267 LEU D O 1 ? ? +15423 ATOM O O B LEU D 4 257 ? 22.616 -51.081 -21.148 0.60 48.29 ? 267 LEU D O 1 ? ? +15424 ATOM C CB A LEU D 4 257 ? 25.411 -51.732 -19.226 0.40 48.96 ? 267 LEU D CB 1 ? ? +15425 ATOM C CB B LEU D 4 257 ? 25.371 -51.736 -19.251 0.60 49.38 ? 267 LEU D CB 1 ? ? +15426 ATOM C CG A LEU D 4 257 ? 26.116 -51.989 -20.546 0.40 48.91 ? 267 LEU D CG 1 ? ? +15427 ATOM C CG B LEU D 4 257 ? 26.131 -51.937 -20.555 0.60 49.30 ? 267 LEU D CG 1 ? ? +15428 ATOM C CD1 A LEU D 4 257 ? 27.411 -52.778 -20.339 0.40 49.41 ? 267 LEU D CD1 1 ? ? +15429 ATOM C CD1 B LEU D 4 257 ? 27.469 -52.638 -20.314 0.60 49.79 ? 267 LEU D CD1 1 ? ? +15430 ATOM C CD2 A LEU D 4 257 ? 25.239 -52.721 -21.493 0.40 48.85 ? 267 LEU D CD2 1 ? ? +15431 ATOM C CD2 B LEU D 4 257 ? 25.358 -52.737 -21.532 0.60 49.28 ? 267 LEU D CD2 1 ? ? +15432 ATOM N N A HIS D 4 258 ? 22.445 -52.602 -19.513 0.40 48.59 ? 268 HIS D N 1 ? ? +15433 ATOM N N B HIS D 4 258 ? 22.475 -52.638 -19.536 0.60 48.94 ? 268 HIS D N 1 ? ? +15434 ATOM C CA A HIS D 4 258 ? 21.487 -53.405 -20.252 0.40 48.53 ? 268 HIS D CA 1 ? ? +15435 ATOM C CA B HIS D 4 258 ? 21.478 -53.416 -20.251 0.60 48.84 ? 268 HIS D CA 1 ? ? +15436 ATOM C C A HIS D 4 258 ? 20.131 -52.698 -20.331 0.40 48.15 ? 268 HIS D C 1 ? ? +15437 ATOM C C B HIS D 4 258 ? 20.120 -52.712 -20.296 0.60 48.45 ? 268 HIS D C 1 ? ? +15438 ATOM O O A HIS D 4 258 ? 19.390 -52.906 -21.289 0.40 48.01 ? 268 HIS D O 1 ? ? +15439 ATOM O O B HIS D 4 258 ? 19.356 -52.929 -21.234 0.60 48.32 ? 268 HIS D O 1 ? ? +15440 ATOM C CB A HIS D 4 258 ? 21.403 -54.847 -19.686 0.40 49.07 ? 268 HIS D CB 1 ? ? +15441 ATOM C CB B HIS D 4 258 ? 21.398 -54.858 -19.691 0.60 49.36 ? 268 HIS D CB 1 ? ? +15442 ATOM C CG A HIS D 4 258 ? 22.572 -55.722 -20.054 0.40 49.37 ? 268 HIS D CG 1 ? ? +15443 ATOM C CG B HIS D 4 258 ? 22.591 -55.708 -20.041 0.60 49.68 ? 268 HIS D CG 1 ? ? +15444 ATOM N ND1 A HIS D 4 258 ? 23.762 -55.668 -19.359 0.40 49.57 ? 268 HIS D ND1 1 ? ? +15445 ATOM N ND1 B HIS D 4 258 ? 23.735 -55.690 -19.282 0.60 49.87 ? 268 HIS D ND1 1 ? ? +15446 ATOM C CD2 A HIS D 4 258 ? 22.690 -56.662 -21.029 0.40 49.51 ? 268 HIS D CD2 1 ? ? +15447 ATOM C CD2 B HIS D 4 258 ? 22.768 -56.588 -21.059 0.60 49.79 ? 268 HIS D CD2 1 ? ? +15448 ATOM C CE1 A HIS D 4 258 ? 24.570 -56.557 -19.931 0.40 49.87 ? 268 HIS D CE1 1 ? ? +15449 ATOM C CE1 B HIS D 4 258 ? 24.580 -56.537 -19.858 0.60 50.17 ? 268 HIS D CE1 1 ? ? +15450 ATOM N NE2 A HIS D 4 258 ? 23.971 -57.179 -20.950 0.40 49.78 ? 268 HIS D NE2 1 ? ? +15451 ATOM N NE2 B HIS D 4 258 ? 24.044 -57.105 -20.944 0.60 50.06 ? 268 HIS D NE2 1 ? ? +15452 ATOM N N A PHE D 4 259 ? 19.830 -51.819 -19.363 0.40 48.01 ? 269 PHE D N 1 ? ? +15453 ATOM N N B PHE D 4 259 ? 19.835 -51.825 -19.330 0.60 48.29 ? 269 PHE D N 1 ? ? +15454 ATOM C CA A PHE D 4 259 ? 18.629 -50.999 -19.445 0.40 47.63 ? 269 PHE D CA 1 ? ? +15455 ATOM C CA B PHE D 4 259 ? 18.642 -50.994 -19.417 0.60 47.88 ? 269 PHE D CA 1 ? ? +15456 ATOM C C A PHE D 4 259 ? 18.764 -49.973 -20.564 0.40 47.10 ? 269 PHE D C 1 ? ? +15457 ATOM C C B PHE D 4 259 ? 18.779 -49.976 -20.543 0.60 47.31 ? 269 PHE D C 1 ? ? +15458 ATOM O O A PHE D 4 259 ? 17.812 -49.699 -21.290 0.40 46.84 ? 269 PHE D O 1 ? ? +15459 ATOM O O B PHE D 4 259 ? 17.823 -49.701 -21.261 0.60 47.05 ? 269 PHE D O 1 ? ? +15460 ATOM C CB A PHE D 4 259 ? 18.324 -50.233 -18.144 0.40 47.64 ? 269 PHE D CB 1 ? ? +15461 ATOM C CB B PHE D 4 259 ? 18.339 -50.216 -18.126 0.60 47.91 ? 269 PHE D CB 1 ? ? +15462 ATOM C CG A PHE D 4 259 ? 17.143 -49.290 -18.286 0.40 47.26 ? 269 PHE D CG 1 ? ? +15463 ATOM C CG B PHE D 4 259 ? 17.164 -49.275 -18.302 0.60 47.56 ? 269 PHE D CG 1 ? ? +15464 ATOM C CD1 A PHE D 4 259 ? 15.845 -49.768 -18.256 0.40 47.37 ? 269 PHE D CD1 1 ? ? +15465 ATOM C CD1 B PHE D 4 259 ? 15.865 -49.752 -18.274 0.60 47.68 ? 269 PHE D CD1 1 ? ? +15466 ATOM C CD2 A PHE D 4 259 ? 17.338 -47.936 -18.498 0.40 46.81 ? 269 PHE D CD2 1 ? ? +15467 ATOM C CD2 B PHE D 4 259 ? 17.365 -47.931 -18.567 0.60 47.14 ? 269 PHE D CD2 1 ? ? +15468 ATOM C CE1 A PHE D 4 259 ? 14.764 -48.907 -18.407 0.40 47.08 ? 269 PHE D CE1 1 ? ? +15469 ATOM C CE1 B PHE D 4 259 ? 14.785 -48.894 -18.467 0.60 47.40 ? 269 PHE D CE1 1 ? ? +15470 ATOM C CE2 A PHE D 4 259 ? 16.258 -47.080 -18.646 0.40 46.54 ? 269 PHE D CE2 1 ? ? +15471 ATOM C CE2 B PHE D 4 259 ? 16.290 -47.078 -18.757 0.60 46.89 ? 269 PHE D CE2 1 ? ? +15472 ATOM C CZ A PHE D 4 259 ? 14.974 -47.571 -18.603 0.40 46.65 ? 269 PHE D CZ 1 ? ? +15473 ATOM C CZ B PHE D 4 259 ? 14.998 -47.565 -18.709 0.60 46.99 ? 269 PHE D CZ 1 ? ? +15474 ATOM N N A PHE D 4 260 ? 19.958 -49.386 -20.670 0.40 46.96 ? 270 PHE D N 1 ? ? +15475 ATOM N N B PHE D 4 260 ? 19.973 -49.390 -20.661 0.60 47.14 ? 270 PHE D N 1 ? ? +15476 ATOM C CA A PHE D 4 260 ? 20.215 -48.347 -21.650 0.40 46.49 ? 270 PHE D CA 1 ? ? +15477 ATOM C CA B PHE D 4 260 ? 20.246 -48.393 -21.681 0.60 46.64 ? 270 PHE D CA 1 ? ? +15478 ATOM C C A PHE D 4 260 ? 20.051 -48.912 -23.056 0.40 46.35 ? 270 PHE D C 1 ? ? +15479 ATOM C C B PHE D 4 260 ? 20.089 -48.987 -23.077 0.60 46.48 ? 270 PHE D C 1 ? ? +15480 ATOM O O A PHE D 4 260 ? 19.612 -48.217 -23.968 0.40 45.95 ? 270 PHE D O 1 ? ? +15481 ATOM O O B PHE D 4 260 ? 19.614 -48.320 -23.990 0.60 46.05 ? 270 PHE D O 1 ? ? +15482 ATOM C CB A PHE D 4 260 ? 21.625 -47.785 -21.448 0.40 46.55 ? 270 PHE D CB 1 ? ? +15483 ATOM C CB B PHE D 4 260 ? 21.660 -47.835 -21.485 0.60 46.72 ? 270 PHE D CB 1 ? ? +15484 ATOM C CG A PHE D 4 260 ? 21.939 -46.544 -22.244 0.40 46.13 ? 270 PHE D CG 1 ? ? +15485 ATOM C CG B PHE D 4 260 ? 21.970 -46.593 -22.281 0.60 46.30 ? 270 PHE D CG 1 ? ? +15486 ATOM C CD1 A PHE D 4 260 ? 21.262 -45.362 -22.010 0.40 45.82 ? 270 PHE D CD1 1 ? ? +15487 ATOM C CD1 B PHE D 4 260 ? 21.295 -45.411 -22.040 0.60 45.99 ? 270 PHE D CD1 1 ? ? +15488 ATOM C CD2 A PHE D 4 260 ? 22.925 -46.556 -23.212 0.40 46.13 ? 270 PHE D CD2 1 ? ? +15489 ATOM C CD2 B PHE D 4 260 ? 22.948 -46.605 -23.258 0.60 46.30 ? 270 PHE D CD2 1 ? ? +15490 ATOM C CE1 A PHE D 4 260 ? 21.557 -44.223 -22.741 0.40 45.47 ? 270 PHE D CE1 1 ? ? +15491 ATOM C CE1 B PHE D 4 260 ? 21.588 -44.268 -22.770 0.60 45.65 ? 270 PHE D CE1 1 ? ? +15492 ATOM C CE2 A PHE D 4 260 ? 23.220 -45.413 -23.938 0.40 45.76 ? 270 PHE D CE2 1 ? ? +15493 ATOM C CE2 B PHE D 4 260 ? 23.241 -45.460 -23.984 0.60 45.92 ? 270 PHE D CE2 1 ? ? +15494 ATOM C CZ A PHE D 4 260 ? 22.536 -44.255 -23.699 0.40 45.45 ? 270 PHE D CZ 1 ? ? +15495 ATOM C CZ B PHE D 4 260 ? 22.561 -44.299 -23.738 0.60 45.61 ? 270 PHE D CZ 1 ? ? +15496 ATOM N N A MET D 4 261 ? 20.409 -50.190 -23.204 0.40 46.70 ? 271 MET D N 1 ? ? +15497 ATOM N N B MET D 4 261 ? 20.492 -50.254 -23.221 0.60 46.83 ? 271 MET D N 1 ? ? +15498 ATOM C CA A MET D 4 261 ? 20.314 -50.881 -24.478 0.40 46.69 ? 271 MET D CA 1 ? ? +15499 ATOM C CA B MET D 4 261 ? 20.360 -50.982 -24.473 0.60 46.83 ? 271 MET D CA 1 ? ? +15500 ATOM C C A MET D 4 261 ? 18.847 -51.060 -24.870 0.40 46.49 ? 271 MET D C 1 ? ? +15501 ATOM C C B MET D 4 261 ? 18.890 -51.182 -24.854 0.60 46.61 ? 271 MET D C 1 ? ? +15502 ATOM O O A MET D 4 261 ? 18.487 -50.954 -26.041 0.40 46.23 ? 271 MET D O 1 ? ? +15503 ATOM O O B MET D 4 261 ? 18.543 -51.182 -26.034 0.60 46.36 ? 271 MET D O 1 ? ? +15504 ATOM C CB A MET D 4 261 ? 21.040 -52.220 -24.370 0.40 47.23 ? 271 MET D CB 1 ? ? +15505 ATOM C CB B MET D 4 261 ? 21.092 -52.324 -24.352 0.60 47.41 ? 271 MET D CB 1 ? ? +15506 ATOM C CG A MET D 4 261 ? 22.535 -52.064 -24.422 0.40 47.38 ? 271 MET D CG 1 ? ? +15507 ATOM C CG B MET D 4 261 ? 22.598 -52.173 -24.446 0.60 47.59 ? 271 MET D CG 1 ? ? +15508 ATOM S SD A MET D 4 261 ? 23.397 -53.628 -24.257 0.40 48.12 ? 271 MET D SD 1 ? ? +15509 ATOM S SD B MET D 4 261 ? 23.475 -53.746 -24.386 0.60 48.38 ? 271 MET D SD 1 ? ? +15510 ATOM C CE A MET D 4 261 ? 23.140 -54.302 -25.915 0.40 48.07 ? 271 MET D CE 1 ? ? +15511 ATOM C CE B MET D 4 261 ? 23.187 -54.330 -26.066 0.60 48.29 ? 271 MET D CE 1 ? ? +15512 ATOM N N A LEU D 4 262 ? 18.006 -51.319 -23.865 0.40 46.60 ? 272 LEU D N 1 ? ? +15513 ATOM N N B LEU D 4 262 ? 18.033 -51.347 -23.842 0.60 46.69 ? 272 LEU D N 1 ? ? +15514 ATOM C CA A LEU D 4 262 ? 16.563 -51.323 -24.040 0.40 46.46 ? 272 LEU D CA 1 ? ? +15515 ATOM C CA B LEU D 4 262 ? 16.589 -51.344 -24.032 0.60 46.56 ? 272 LEU D CA 1 ? ? +15516 ATOM C C A LEU D 4 262 ? 16.098 -49.927 -24.445 0.40 45.87 ? 272 LEU D C 1 ? ? +15517 ATOM C C B LEU D 4 262 ? 16.120 -49.952 -24.445 0.60 45.95 ? 272 LEU D C 1 ? ? +15518 ATOM O O A LEU D 4 262 ? 15.431 -49.762 -25.464 0.40 45.69 ? 272 LEU D O 1 ? ? +15519 ATOM O O B LEU D 4 262 ? 15.461 -49.795 -25.469 0.60 45.77 ? 272 LEU D O 1 ? ? +15520 ATOM C CB A LEU D 4 262 ? 15.887 -51.781 -22.736 0.40 46.83 ? 272 LEU D CB 1 ? ? +15521 ATOM C CB B LEU D 4 262 ? 15.894 -51.802 -22.738 0.60 46.93 ? 272 LEU D CB 1 ? ? +15522 ATOM C CG A LEU D 4 262 ? 14.358 -51.902 -22.746 0.40 46.93 ? 272 LEU D CG 1 ? ? +15523 ATOM C CG B LEU D 4 262 ? 14.365 -51.904 -22.756 0.60 47.04 ? 272 LEU D CG 1 ? ? +15524 ATOM C CD1 A LEU D 4 262 ? 13.863 -52.561 -21.489 0.40 47.38 ? 272 LEU D CD1 1 ? ? +15525 ATOM C CD1 B LEU D 4 262 ? 13.858 -52.604 -21.524 0.60 47.51 ? 272 LEU D CD1 1 ? ? +15526 ATOM C CD2 A LEU D 4 262 ? 13.683 -50.552 -22.884 0.40 46.51 ? 272 LEU D CD2 1 ? ? +15527 ATOM C CD2 B LEU D 4 262 ? 13.690 -50.541 -22.826 0.60 46.64 ? 272 LEU D CD2 1 ? ? +15528 ATOM N N A PHE D 4 263 ? 16.508 -48.925 -23.662 0.40 45.56 ? 273 PHE D N 1 ? ? +15529 ATOM N N B PHE D 4 263 ? 16.505 -48.946 -23.654 0.60 45.64 ? 273 PHE D N 1 ? ? +15530 ATOM C CA A PHE D 4 263 ? 16.026 -47.562 -23.809 0.40 45.05 ? 273 PHE D CA 1 ? ? +15531 ATOM C CA B PHE D 4 263 ? 16.024 -47.583 -23.817 0.60 45.14 ? 273 PHE D CA 1 ? ? +15532 ATOM C C A PHE D 4 263 ? 16.280 -46.924 -25.173 0.40 44.59 ? 273 PHE D C 1 ? ? +15533 ATOM C C B PHE D 4 263 ? 16.280 -46.940 -25.179 0.60 44.63 ? 273 PHE D C 1 ? ? +15534 ATOM O O A PHE D 4 263 ? 15.402 -46.277 -25.735 0.40 44.35 ? 273 PHE D O 1 ? ? +15535 ATOM O O B PHE D 4 263 ? 15.396 -46.295 -25.733 0.60 44.38 ? 273 PHE D O 1 ? ? +15536 ATOM C CB A PHE D 4 263 ? 16.679 -46.683 -22.741 0.40 45.02 ? 273 PHE D CB 1 ? ? +15537 ATOM C CB B PHE D 4 263 ? 16.662 -46.697 -22.745 0.60 45.15 ? 273 PHE D CB 1 ? ? +15538 ATOM C CG A PHE D 4 263 ? 16.213 -45.251 -22.756 0.40 44.68 ? 273 PHE D CG 1 ? ? +15539 ATOM C CG B PHE D 4 263 ? 16.206 -45.264 -22.785 0.60 44.88 ? 273 PHE D CG 1 ? ? +15540 ATOM C CD1 A PHE D 4 263 ? 14.984 -44.899 -22.228 0.40 44.68 ? 273 PHE D CD1 1 ? ? +15541 ATOM C CD1 B PHE D 4 263 ? 14.952 -44.904 -22.319 0.60 44.92 ? 273 PHE D CD1 1 ? ? +15542 ATOM C CD2 A PHE D 4 263 ? 16.990 -44.260 -23.319 0.40 44.40 ? 273 PHE D CD2 1 ? ? +15543 ATOM C CD2 B PHE D 4 263 ? 17.013 -44.279 -23.319 0.60 44.65 ? 273 PHE D CD2 1 ? ? +15544 ATOM C CE1 A PHE D 4 263 ? 14.553 -43.580 -22.251 0.40 44.34 ? 273 PHE D CE1 1 ? ? +15545 ATOM C CE1 B PHE D 4 263 ? 14.527 -43.582 -22.369 0.60 44.59 ? 273 PHE D CE1 1 ? ? +15546 ATOM C CE2 A PHE D 4 263 ? 16.551 -42.944 -23.345 0.40 44.08 ? 273 PHE D CE2 1 ? ? +15547 ATOM C CE2 B PHE D 4 263 ? 16.578 -42.959 -23.375 0.60 44.36 ? 273 PHE D CE2 1 ? ? +15548 ATOM C CZ A PHE D 4 263 ? 15.337 -42.613 -22.808 0.40 44.04 ? 273 PHE D CZ 1 ? ? +15549 ATOM C CZ B PHE D 4 263 ? 15.339 -42.620 -22.894 0.60 44.31 ? 273 PHE D CZ 1 ? ? +15550 ATOM N N A VAL D 4 264 ? 17.500 -47.069 -25.697 0.40 44.48 ? 274 VAL D N 1 ? ? +15551 ATOM N N B VAL D 4 264 ? 17.503 -47.069 -25.706 0.60 44.47 ? 274 VAL D N 1 ? ? +15552 ATOM C CA A VAL D 4 264 ? 17.909 -46.282 -26.848 0.40 44.03 ? 274 VAL D CA 1 ? ? +15553 ATOM C CA B VAL D 4 264 ? 17.900 -46.291 -26.869 0.60 43.98 ? 274 VAL D CA 1 ? ? +15554 ATOM C C A VAL D 4 264 ? 17.051 -46.533 -28.087 0.40 43.85 ? 274 VAL D C 1 ? ? +15555 ATOM C C B VAL D 4 264 ? 17.036 -46.575 -28.099 0.60 43.78 ? 274 VAL D C 1 ? ? +15556 ATOM O O A VAL D 4 264 ? 16.458 -45.601 -28.623 0.40 43.49 ? 274 VAL D O 1 ? ? +15557 ATOM O O B VAL D 4 264 ? 16.411 -45.662 -28.627 0.60 43.40 ? 274 VAL D O 1 ? ? +15558 ATOM C CB A VAL D 4 264 ? 19.405 -46.493 -27.161 0.40 44.09 ? 274 VAL D CB 1 ? ? +15559 ATOM C CB B VAL D 4 264 ? 19.416 -46.453 -27.177 0.60 44.02 ? 274 VAL D CB 1 ? ? +15560 ATOM C CG1 A VAL D 4 264 ? 19.757 -45.935 -28.528 0.40 43.80 ? 274 VAL D CG1 1 ? ? +15561 ATOM C CG1 B VAL D 4 264 ? 19.762 -45.932 -28.561 0.60 43.72 ? 274 VAL D CG1 1 ? ? +15562 ATOM C CG2 A VAL D 4 264 ? 20.269 -45.870 -26.075 0.40 44.12 ? 274 VAL D CG2 1 ? ? +15563 ATOM C CG2 B VAL D 4 264 ? 20.250 -45.756 -26.118 0.60 44.03 ? 274 VAL D CG2 1 ? ? +15564 ATOM N N A PRO D 4 265 ? 17.003 -47.774 -28.614 0.40 44.07 ? 275 PRO D N 1 ? ? +15565 ATOM N N B PRO D 4 265 ? 17.010 -47.816 -28.629 0.60 44.00 ? 275 PRO D N 1 ? ? +15566 ATOM C CA A PRO D 4 265 ? 16.243 -48.056 -29.830 0.40 44.04 ? 275 PRO D CA 1 ? ? +15567 ATOM C CA B PRO D 4 265 ? 16.234 -48.106 -29.833 0.60 43.97 ? 275 PRO D CA 1 ? ? +15568 ATOM C C A PRO D 4 265 ? 14.727 -47.985 -29.632 0.40 44.04 ? 275 PRO D C 1 ? ? +15569 ATOM C C B PRO D 4 265 ? 14.716 -48.007 -29.633 0.60 43.96 ? 275 PRO D C 1 ? ? +15570 ATOM O O A PRO D 4 265 ? 13.995 -47.613 -30.544 0.40 43.80 ? 275 PRO D O 1 ? ? +15571 ATOM O O B PRO D 4 265 ? 13.993 -47.605 -30.538 0.60 43.70 ? 275 PRO D O 1 ? ? +15572 ATOM C CB A PRO D 4 265 ? 16.714 -49.461 -30.211 0.40 44.40 ? 275 PRO D CB 1 ? ? +15573 ATOM C CB B PRO D 4 265 ? 16.684 -49.522 -30.201 0.60 44.33 ? 275 PRO D CB 1 ? ? +15574 ATOM C CG A PRO D 4 265 ? 17.169 -50.081 -28.910 0.40 44.71 ? 275 PRO D CG 1 ? ? +15575 ATOM C CG B PRO D 4 265 ? 17.201 -50.116 -28.914 0.60 44.64 ? 275 PRO D CG 1 ? ? +15576 ATOM C CD A PRO D 4 265 ? 17.697 -48.956 -28.075 0.40 44.48 ? 275 PRO D CD 1 ? ? +15577 ATOM C CD B PRO D 4 265 ? 17.730 -48.990 -28.107 0.60 44.42 ? 275 PRO D CD 1 ? ? +15578 ATOM N N A VAL D 4 266 ? 14.255 -48.333 -28.433 0.40 44.29 ? 276 VAL D N 1 ? ? +15579 ATOM N N B VAL D 4 266 ? 14.238 -48.364 -28.439 0.60 44.24 ? 276 VAL D N 1 ? ? +15580 ATOM C CA A VAL D 4 266 ? 12.830 -48.271 -28.154 0.40 44.40 ? 276 VAL D CA 1 ? ? +15581 ATOM C CA B VAL D 4 266 ? 12.818 -48.265 -28.144 0.60 44.36 ? 276 VAL D CA 1 ? ? +15582 ATOM C C A VAL D 4 266 ? 12.346 -46.826 -28.242 0.40 44.04 ? 276 VAL D C 1 ? ? +15583 ATOM C C B VAL D 4 266 ? 12.355 -46.811 -28.233 0.60 44.02 ? 276 VAL D C 1 ? ? +15584 ATOM O O A VAL D 4 266 ? 11.304 -46.551 -28.836 0.40 44.00 ? 276 VAL D O 1 ? ? +15585 ATOM O O B VAL D 4 266 ? 11.323 -46.521 -28.837 0.60 44.00 ? 276 VAL D O 1 ? ? +15586 ATOM C CB A VAL D 4 266 ? 12.472 -48.884 -26.789 0.40 44.73 ? 276 VAL D CB 1 ? ? +15587 ATOM C CB B VAL D 4 266 ? 12.472 -48.880 -26.772 0.60 44.70 ? 276 VAL D CB 1 ? ? +15588 ATOM C CG1 A VAL D 4 266 ? 11.057 -48.482 -26.370 0.40 44.74 ? 276 VAL D CG1 1 ? ? +15589 ATOM C CG1 B VAL D 4 266 ? 11.039 -48.522 -26.348 0.60 44.73 ? 276 VAL D CG1 1 ? ? +15590 ATOM C CG2 A VAL D 4 266 ? 12.633 -50.396 -26.814 0.40 45.18 ? 276 VAL D CG2 1 ? ? +15591 ATOM C CG2 B VAL D 4 266 ? 12.675 -50.384 -26.793 0.60 45.15 ? 276 VAL D CG2 1 ? ? +15592 ATOM N N A THR D 4 267 ? 13.120 -45.913 -27.649 0.40 43.84 ? 277 THR D N 1 ? ? +15593 ATOM N N B THR D 4 267 ? 13.126 -45.903 -27.623 0.60 43.81 ? 277 THR D N 1 ? ? +15594 ATOM C CA A THR D 4 267 ? 12.764 -44.507 -27.625 0.40 43.49 ? 277 THR D CA 1 ? ? +15595 ATOM C CA B THR D 4 267 ? 12.783 -44.493 -27.618 0.60 43.47 ? 277 THR D CA 1 ? ? +15596 ATOM C C A THR D 4 267 ? 12.840 -43.934 -29.034 0.40 43.24 ? 277 THR D C 1 ? ? +15597 ATOM C C B THR D 4 267 ? 12.843 -43.931 -29.033 0.60 43.22 ? 277 THR D C 1 ? ? +15598 ATOM O O A THR D 4 267 ? 11.956 -43.194 -29.455 0.40 43.10 ? 277 THR D O 1 ? ? +15599 ATOM O O B THR D 4 267 ? 11.952 -43.196 -29.450 0.60 43.10 ? 277 THR D O 1 ? ? +15600 ATOM C CB A THR D 4 267 ? 13.641 -43.772 -26.640 0.40 43.40 ? 277 THR D CB 1 ? ? +15601 ATOM C CB B THR D 4 267 ? 13.670 -43.741 -26.653 0.60 43.37 ? 277 THR D CB 1 ? ? +15602 ATOM O OG1 A THR D 4 267 ? 13.405 -44.327 -25.348 0.40 43.70 ? 277 THR D OG1 1 ? ? +15603 ATOM O OG1 B THR D 4 267 ? 13.452 -44.273 -25.349 0.60 43.69 ? 277 THR D OG1 1 ? ? +15604 ATOM C CG2 A THR D 4 267 ? 13.371 -42.285 -26.623 0.40 43.07 ? 277 THR D CG2 1 ? ? +15605 ATOM C CG2 B THR D 4 267 ? 13.396 -42.255 -26.646 0.60 43.05 ? 277 THR D CG2 1 ? ? +15606 ATOM N N A GLY D 4 268 ? 13.889 -44.311 -29.767 0.40 43.24 ? 278 GLY D N 1 ? ? +15607 ATOM N N B GLY D 4 268 ? 13.891 -44.303 -29.769 0.60 43.21 ? 278 GLY D N 1 ? ? +15608 ATOM C CA A GLY D 4 268 ? 14.066 -43.874 -31.141 0.40 43.01 ? 278 GLY D CA 1 ? ? +15609 ATOM C CA B GLY D 4 268 ? 14.062 -43.868 -31.144 0.60 42.99 ? 278 GLY D CA 1 ? ? +15610 ATOM C C A GLY D 4 268 ? 12.859 -44.171 -32.029 0.40 43.03 ? 278 GLY D C 1 ? ? +15611 ATOM C C B GLY D 4 268 ? 12.856 -44.171 -32.031 0.60 43.01 ? 278 GLY D C 1 ? ? +15612 ATOM O O A GLY D 4 268 ? 12.374 -43.293 -32.734 0.40 42.77 ? 278 GLY D O 1 ? ? +15613 ATOM O O B GLY D 4 268 ? 12.373 -43.297 -32.737 0.60 42.74 ? 278 GLY D O 1 ? ? +15614 ATOM N N . LEU D 4 269 ? 12.400 -45.424 -32.006 1.00 43.36 ? 279 LEU D N 1 ? ? +15615 ATOM C CA . LEU D 4 269 ? 11.237 -45.834 -32.780 1.00 43.53 ? 279 LEU D CA 1 ? ? +15616 ATOM C CB . LEU D 4 269 ? 10.965 -47.336 -32.670 1.00 43.95 ? 279 LEU D CB 1 ? ? +15617 ATOM C CG . LEU D 4 269 ? 11.429 -48.127 -33.872 1.00 44.10 ? 279 LEU D CG 1 ? ? +15618 ATOM C CD1 . LEU D 4 269 ? 12.947 -48.045 -34.039 1.00 43.99 ? 279 LEU D CD1 1 ? ? +15619 ATOM C CD2 . LEU D 4 269 ? 10.963 -49.558 -33.774 1.00 44.56 ? 279 LEU D CD2 1 ? ? +15620 ATOM C C . LEU D 4 269 ? 10.000 -45.046 -32.370 1.00 43.41 ? 279 LEU D C 1 ? ? +15621 ATOM O O . LEU D 4 269 ? 9.269 -44.577 -33.230 1.00 43.35 ? 279 LEU D O 1 ? ? +15622 ATOM N N . TRP D 4 270 ? 9.820 -44.860 -31.064 1.00 43.51 ? 280 TRP D N 1 ? ? +15623 ATOM C CA . TRP D 4 270 ? 8.718 -44.059 -30.553 1.00 43.51 ? 280 TRP D CA 1 ? ? +15624 ATOM C CB . TRP D 4 270 ? 8.707 -44.044 -29.021 1.00 43.54 ? 280 TRP D CB 1 ? ? +15625 ATOM C CG . TRP D 4 270 ? 7.831 -45.116 -28.468 1.00 43.88 ? 280 TRP D CG 1 ? ? +15626 ATOM C CD1 . TRP D 4 270 ? 8.214 -46.340 -28.025 1.00 44.19 ? 280 TRP D CD1 1 ? ? +15627 ATOM N NE1 . TRP D 4 270 ? 7.125 -47.048 -27.598 1.00 44.49 ? 280 TRP D NE1 1 ? ? +15628 ATOM C CE2 . TRP D 4 270 ? 6.008 -46.279 -27.752 1.00 44.40 ? 280 TRP D CE2 1 ? ? +15629 ATOM C CZ2 . TRP D 4 270 ? 4.670 -46.563 -27.468 1.00 44.69 ? 280 TRP D CZ2 1 ? ? +15630 ATOM C CH2 . TRP D 4 270 ? 3.749 -45.577 -27.739 1.00 44.53 ? 280 TRP D CH2 1 ? ? +15631 ATOM C CZ3 . TRP D 4 270 ? 4.127 -44.350 -28.283 1.00 44.09 ? 280 TRP D CZ3 1 ? ? +15632 ATOM C CE3 . TRP D 4 270 ? 5.456 -44.076 -28.575 1.00 43.82 ? 280 TRP D CE3 1 ? ? +15633 ATOM C CD2 . TRP D 4 270 ? 6.419 -45.053 -28.305 1.00 43.98 ? 280 TRP D CD2 1 ? ? +15634 ATOM C C . TRP D 4 270 ? 8.724 -42.636 -31.095 1.00 43.28 ? 280 TRP D C 1 ? ? +15635 ATOM O O . TRP D 4 270 ? 7.656 -42.108 -31.431 1.00 43.18 ? 280 TRP D O 1 ? ? +15636 ATOM N N . MET D 4 271 ? 9.926 -42.041 -31.190 1.00 43.14 ? 281 MET D N 1 ? ? +15637 ATOM C CA . MET D 4 271 ? 10.047 -40.674 -31.657 1.00 42.96 ? 281 MET D CA 1 ? ? +15638 ATOM C CB . MET D 4 271 ? 11.442 -40.113 -31.382 1.00 43.04 ? 281 MET D CB 1 ? ? +15639 ATOM C CG . MET D 4 271 ? 11.710 -39.816 -29.904 1.00 43.30 ? 281 MET D CG 1 ? ? +15640 ATOM S SD . MET D 4 271 ? 10.601 -38.607 -29.152 1.00 43.68 ? 281 MET D SD 1 ? ? +15641 ATOM C CE . MET D 4 271 ? 9.499 -39.692 -28.238 1.00 44.05 ? 281 MET D CE 1 ? ? +15642 ATOM C C . MET D 4 271 ? 9.714 -40.591 -33.144 1.00 42.81 ? 281 MET D C 1 ? ? +15643 ATOM O O . MET D 4 271 ? 9.092 -39.631 -33.590 1.00 42.71 ? 281 MET D O 1 ? ? +15644 ATOM N N . SER D 4 272 ? 10.119 -41.597 -33.917 1.00 42.87 ? 282 SER D N 1 ? ? +15645 ATOM C CA . SER D 4 272 ? 9.822 -41.594 -35.337 1.00 42.82 ? 282 SER D CA 1 ? ? +15646 ATOM C CB . SER D 4 272 ? 10.608 -42.687 -36.057 1.00 42.92 ? 282 SER D CB 1 ? ? +15647 ATOM O OG . SER D 4 272 ? 10.250 -44.006 -35.659 1.00 43.17 ? 282 SER D OG 1 ? ? +15648 ATOM C C . SER D 4 272 ? 8.315 -41.736 -35.567 1.00 43.05 ? 282 SER D C 1 ? ? +15649 ATOM O O . SER D 4 272 ? 7.763 -41.100 -36.451 1.00 42.91 ? 282 SER D O 1 ? ? +15650 ATOM N N . ALA D 4 273 ? 7.652 -42.571 -34.763 1.00 43.41 ? 283 ALA D N 1 ? ? +15651 ATOM C CA . ALA D 4 273 ? 6.209 -42.742 -34.847 1.00 43.67 ? 283 ALA D CA 1 ? ? +15652 ATOM C CB . ALA D 4 273 ? 5.724 -43.704 -33.793 1.00 43.95 ? 283 ALA D CB 1 ? ? +15653 ATOM C C . ALA D 4 273 ? 5.492 -41.403 -34.709 1.00 43.56 ? 283 ALA D C 1 ? ? +15654 ATOM O O . ALA D 4 273 ? 4.570 -41.119 -35.462 1.00 43.78 ? 283 ALA D O 1 ? ? +15655 ATOM N N . ILE D 4 274 ? 5.949 -40.560 -33.778 1.00 43.37 ? 284 ILE D N 1 ? ? +15656 ATOM C CA . ILE D 4 274 ? 5.305 -39.280 -33.543 1.00 43.20 ? 284 ILE D CA 1 ? ? +15657 ATOM C CB . ILE D 4 274 ? 5.906 -38.631 -32.298 1.00 43.21 ? 284 ILE D CB 1 ? ? +15658 ATOM C CG1 . ILE D 4 274 ? 5.520 -39.461 -31.054 1.00 43.59 ? 284 ILE D CG1 1 ? ? +15659 ATOM C CG2 . ILE D 4 274 ? 5.474 -37.167 -32.156 1.00 43.09 ? 284 ILE D CG2 1 ? ? +15660 ATOM C CD1 . ILE D 4 274 ? 6.029 -38.898 -29.782 1.00 43.58 ? 284 ILE D CD1 1 ? ? +15661 ATOM C C . ILE D 4 274 ? 5.388 -38.373 -34.764 1.00 42.81 ? 284 ILE D C 1 ? ? +15662 ATOM O O . ILE D 4 274 ? 4.426 -37.697 -35.122 1.00 42.79 ? 284 ILE D O 1 ? ? +15663 ATOM N N . GLY D 4 275 ? 6.560 -38.349 -35.391 1.00 42.41 ? 285 GLY D N 1 ? ? +15664 ATOM C CA . GLY D 4 275 ? 6.740 -37.599 -36.617 1.00 42.09 ? 285 GLY D CA 1 ? ? +15665 ATOM C C . GLY D 4 275 ? 5.772 -38.004 -37.723 1.00 42.13 ? 285 GLY D C 1 ? ? +15666 ATOM O O . GLY D 4 275 ? 5.245 -37.136 -38.414 1.00 42.02 ? 285 GLY D O 1 ? ? +15667 ATOM N N . VAL D 4 276 ? 5.579 -39.317 -37.889 1.00 42.26 ? 286 VAL D N 1 ? ? +15668 ATOM C CA . VAL D 4 276 ? 4.679 -39.847 -38.900 1.00 42.47 ? 286 VAL D CA 1 ? ? +15669 ATOM C CB . VAL D 4 276 ? 4.920 -41.359 -39.090 1.00 42.71 ? 286 VAL D CB 1 ? ? +15670 ATOM C CG1 . VAL D 4 276 ? 3.836 -41.999 -39.961 1.00 43.01 ? 286 VAL D CG1 1 ? ? +15671 ATOM C CG2 . VAL D 4 276 ? 6.293 -41.624 -39.666 1.00 42.55 ? 286 VAL D CG2 1 ? ? +15672 ATOM C C . VAL D 4 276 ? 3.204 -39.546 -38.603 1.00 42.55 ? 286 VAL D C 1 ? ? +15673 ATOM O O . VAL D 4 276 ? 2.408 -39.428 -39.521 1.00 42.73 ? 286 VAL D O 1 ? ? +15674 ATOM N N . VAL D 4 277 ? 2.838 -39.423 -37.328 1.00 42.50 ? 287 VAL D N 1 ? ? +15675 ATOM C CA . VAL D 4 277 ? 1.515 -38.939 -36.967 1.00 42.63 ? 287 VAL D CA 1 ? ? +15676 ATOM C CB . VAL D 4 277 ? 1.294 -39.010 -35.449 1.00 42.69 ? 287 VAL D CB 1 ? ? +15677 ATOM C CG1 . VAL D 4 277 ? -0.016 -38.355 -35.047 1.00 42.85 ? 287 VAL D CG1 1 ? ? +15678 ATOM C CG2 . VAL D 4 277 ? 1.330 -40.446 -34.967 1.00 42.99 ? 287 VAL D CG2 1 ? ? +15679 ATOM C C . VAL D 4 277 ? 1.330 -37.523 -37.510 1.00 42.35 ? 287 VAL D C 1 ? ? +15680 ATOM O O . VAL D 4 277 ? 0.254 -37.165 -37.998 1.00 42.42 ? 287 VAL D O 1 ? ? +15681 ATOM N N . GLY D 4 278 ? 2.411 -36.732 -37.455 1.00 41.92 ? 288 GLY D N 1 ? ? +15682 ATOM C CA . GLY D 4 278 ? 2.412 -35.390 -38.007 1.00 41.68 ? 288 GLY D CA 1 ? ? +15683 ATOM C C . GLY D 4 278 ? 2.200 -35.381 -39.515 1.00 41.82 ? 288 GLY D C 1 ? ? +15684 ATOM O O . GLY D 4 278 ? 1.457 -34.557 -40.047 1.00 41.92 ? 288 GLY D O 1 ? ? +15685 ATOM N N . LEU D 4 279 ? 2.838 -36.323 -40.212 1.00 41.94 ? 289 LEU D N 1 ? ? +15686 ATOM C CA . LEU D 4 279 ? 2.725 -36.393 -41.660 1.00 42.08 ? 289 LEU D CA 1 ? ? +15687 ATOM C CB . LEU D 4 279 ? 3.842 -37.271 -42.218 1.00 42.06 ? 289 LEU D CB 1 ? ? +15688 ATOM C CG . LEU D 4 279 ? 5.249 -36.752 -41.911 1.00 41.79 ? 289 LEU D CG 1 ? ? +15689 ATOM C CD1 . LEU D 4 279 ? 6.330 -37.605 -42.607 1.00 41.83 ? 289 LEU D CD1 1 ? ? +15690 ATOM C CD2 . LEU D 4 279 ? 5.382 -35.278 -42.293 1.00 41.59 ? 289 LEU D CD2 1 ? ? +15691 ATOM C C . LEU D 4 279 ? 1.351 -36.907 -42.100 1.00 42.51 ? 289 LEU D C 1 ? ? +15692 ATOM O O . LEU D 4 279 ? 0.925 -36.650 -43.221 1.00 42.63 ? 289 LEU D O 1 ? ? +15693 ATOM N N . ALA D 4 280 ? 0.649 -37.618 -41.221 1.00 42.78 ? 290 ALA D N 1 ? ? +15694 ATOM C CA . ALA D 4 280 ? -0.727 -37.993 -41.507 1.00 43.29 ? 290 ALA D CA 1 ? ? +15695 ATOM C CB . ALA D 4 280 ? -1.360 -38.658 -40.302 1.00 43.53 ? 290 ALA D CB 1 ? ? +15696 ATOM C C . ALA D 4 280 ? -1.552 -36.777 -41.919 1.00 43.35 ? 290 ALA D C 1 ? ? +15697 ATOM O O . ALA D 4 280 ? -2.435 -36.892 -42.761 1.00 43.67 ? 290 ALA D O 1 ? ? +15698 ATOM N N . LEU D 4 281 ? -1.211 -35.626 -41.323 1.00 43.12 ? 291 LEU D N 1 ? ? +15699 ATOM C CA . LEU D 4 281 ? -1.880 -34.356 -41.533 1.00 43.17 ? 291 LEU D CA 1 ? ? +15700 ATOM C CB . LEU D 4 281 ? -2.023 -33.732 -40.143 1.00 43.09 ? 291 LEU D CB 1 ? ? +15701 ATOM C CG . LEU D 4 281 ? -2.650 -34.641 -39.078 1.00 43.44 ? 291 LEU D CG 1 ? ? +15702 ATOM C CD1 . LEU D 4 281 ? -2.848 -33.915 -37.786 1.00 43.35 ? 291 LEU D CD1 1 ? ? +15703 ATOM C CD2 . LEU D 4 281 ? -3.990 -35.210 -39.560 1.00 43.97 ? 291 LEU D CD2 1 ? ? +15704 ATOM C C . LEU D 4 281 ? -1.128 -33.388 -42.441 1.00 42.98 ? 291 LEU D C 1 ? ? +15705 ATOM O O . LEU D 4 281 ? -1.439 -32.199 -42.483 1.00 42.92 ? 291 LEU D O 1 ? ? +15706 ATOM N N . ASN D 4 282 ? -0.112 -33.909 -43.149 1.00 42.96 ? 292 ASN D N 1 ? ? +15707 ATOM C CA . ASN D 4 282 ? 0.867 -33.102 -43.862 1.00 42.73 ? 292 ASN D CA 1 ? ? +15708 ATOM C CB . ASN D 4 282 ? 0.229 -32.400 -45.050 1.00 42.90 ? 292 ASN D CB 1 ? ? +15709 ATOM C CG . ASN D 4 282 ? -0.106 -33.303 -46.174 1.00 43.20 ? 292 ASN D CG 1 ? ? +15710 ATOM O OD1 . ASN D 4 282 ? 0.380 -34.429 -46.265 1.00 43.29 ? 292 ASN D OD1 1 ? ? +15711 ATOM N ND2 . ASN D 4 282 ? -0.936 -32.816 -47.062 1.00 43.44 ? 292 ASN D ND2 1 ? ? +15712 ATOM C C . ASN D 4 282 ? 1.533 -32.063 -42.972 1.00 42.39 ? 292 ASN D C 1 ? ? +15713 ATOM O O . ASN D 4 282 ? 1.975 -31.035 -43.455 1.00 42.21 ? 292 ASN D O 1 ? ? +15714 ATOM N N . LEU D 4 283 ? 1.586 -32.326 -41.671 1.00 42.38 ? 293 LEU D N 1 ? ? +15715 ATOM C CA . LEU D 4 283 ? 2.186 -31.388 -40.745 1.00 42.27 ? 293 LEU D CA 1 ? ? +15716 ATOM C CB . LEU D 4 283 ? 1.498 -31.529 -39.410 1.00 42.48 ? 293 LEU D CB 1 ? ? +15717 ATOM C CG . LEU D 4 283 ? 1.458 -30.303 -38.538 1.00 42.48 ? 293 LEU D CG 1 ? ? +15718 ATOM C CD1 . LEU D 4 283 ? 0.859 -29.102 -39.261 1.00 42.51 ? 293 LEU D CD1 1 ? ? +15719 ATOM C CD2 . LEU D 4 283 ? 0.632 -30.605 -37.302 1.00 42.71 ? 293 LEU D CD2 1 ? ? +15720 ATOM C C . LEU D 4 283 ? 3.697 -31.668 -40.705 1.00 42.09 ? 293 LEU D C 1 ? ? +15721 ATOM O O . LEU D 4 283 ? 4.220 -32.306 -39.800 1.00 41.84 ? 293 LEU D O 1 ? ? +15722 ATOM N N . ARG D 4 284 ? 4.360 -31.183 -41.755 1.00 42.09 ? 294 ARG D N 1 ? ? +15723 ATOM C CA . ARG D 4 284 ? 5.721 -31.527 -42.084 1.00 42.10 ? 294 ARG D CA 1 ? ? +15724 ATOM C CB . ARG D 4 284 ? 5.909 -31.482 -43.599 1.00 42.24 ? 294 ARG D CB 1 ? ? +15725 ATOM C CG . ARG D 4 284 ? 4.990 -32.349 -44.388 1.00 42.53 ? 294 ARG D CG 1 ? ? +15726 ATOM C CD . ARG D 4 284 ? 4.757 -31.791 -45.779 1.00 42.65 ? 294 ARG D CD 1 ? ? +15727 ATOM N NE . ARG D 4 284 ? 3.886 -32.665 -46.555 1.00 42.99 ? 294 ARG D NE 1 ? ? +15728 ATOM C CZ . ARG D 4 284 ? 3.338 -32.338 -47.711 1.00 43.17 ? 294 ARG D CZ 1 ? ? +15729 ATOM N NH1 . ARG D 4 284 ? 3.476 -31.130 -48.221 1.00 43.07 ? 294 ARG D NH1 1 ? ? +15730 ATOM N NH2 . ARG D 4 284 ? 2.616 -33.242 -48.364 1.00 43.57 ? 294 ARG D NH2 1 ? ? +15731 ATOM C C . ARG D 4 284 ? 6.708 -30.502 -41.557 1.00 41.97 ? 294 ARG D C 1 ? ? +15732 ATOM O O . ARG D 4 284 ? 6.341 -29.354 -41.339 1.00 41.89 ? 294 ARG D O 1 ? ? +15733 ATOM N N A SER D 4 285 ? 7.964 -30.930 -41.377 0.50 42.00 ? 295 SER D N 1 ? ? +15734 ATOM N N B SER D 4 285 ? 7.966 -30.926 -41.380 0.50 41.93 ? 295 SER D N 1 ? ? +15735 ATOM C CA A SER D 4 285 ? 9.079 -30.003 -41.332 0.50 41.89 ? 295 SER D CA 1 ? ? +15736 ATOM C CA B SER D 4 285 ? 9.075 -29.991 -41.328 0.50 41.77 ? 295 SER D CA 1 ? ? +15737 ATOM C C A SER D 4 285 ? 9.640 -29.880 -42.743 0.50 41.99 ? 295 SER D C 1 ? ? +15738 ATOM C C B SER D 4 285 ? 9.640 -29.874 -42.738 0.50 41.92 ? 295 SER D C 1 ? ? +15739 ATOM O O A SER D 4 285 ? 10.714 -30.411 -43.034 0.50 42.02 ? 295 SER D O 1 ? ? +15740 ATOM O O B SER D 4 285 ? 10.715 -30.406 -43.026 0.50 41.95 ? 295 SER D O 1 ? ? +15741 ATOM C CB A SER D 4 285 ? 10.159 -30.470 -40.368 0.50 41.89 ? 295 SER D CB 1 ? ? +15742 ATOM C CB B SER D 4 285 ? 10.166 -30.449 -40.373 0.50 41.69 ? 295 SER D CB 1 ? ? +15743 ATOM O OG A SER D 4 285 ? 9.689 -30.454 -39.029 0.50 41.95 ? 295 SER D OG 1 ? ? +15744 ATOM O OG B SER D 4 285 ? 11.046 -31.348 -41.025 0.50 41.69 ? 295 SER D OG 1 ? ? +15745 ATOM N N . TYR D 4 286 ? 8.895 -29.186 -43.611 1.00 42.02 ? 296 TYR D N 1 ? ? +15746 ATOM C CA . TYR D 4 286 ? 9.257 -29.067 -45.011 1.00 42.19 ? 296 TYR D CA 1 ? ? +15747 ATOM C CB . TYR D 4 286 ? 8.039 -28.766 -45.902 1.00 42.37 ? 296 TYR D CB 1 ? ? +15748 ATOM C CG . TYR D 4 286 ? 8.396 -28.959 -47.350 1.00 42.64 ? 296 TYR D CG 1 ? ? +15749 ATOM C CD1 . TYR D 4 286 ? 8.386 -30.222 -47.929 1.00 42.87 ? 296 TYR D CD1 1 ? ? +15750 ATOM C CD2 . TYR D 4 286 ? 8.866 -27.911 -48.107 1.00 42.73 ? 296 TYR D CD2 1 ? ? +15751 ATOM C CE1 . TYR D 4 286 ? 8.790 -30.417 -49.249 1.00 43.06 ? 296 TYR D CE1 1 ? ? +15752 ATOM C CE2 . TYR D 4 286 ? 9.283 -28.094 -49.417 1.00 42.99 ? 296 TYR D CE2 1 ? ? +15753 ATOM C CZ . TYR D 4 286 ? 9.244 -29.350 -49.989 1.00 43.16 ? 296 TYR D CZ 1 ? ? +15754 ATOM O OH . TYR D 4 286 ? 9.668 -29.507 -51.298 1.00 43.57 ? 296 TYR D OH 1 ? ? +15755 ATOM C C . TYR D 4 286 ? 10.318 -27.987 -45.223 1.00 42.19 ? 296 TYR D C 1 ? ? +15756 ATOM O O . TYR D 4 286 ? 11.288 -28.200 -45.954 1.00 42.34 ? 296 TYR D O 1 ? ? +15757 ATOM N N . ASP D 4 287 ? 10.112 -26.826 -44.588 1.00 42.01 ? 297 ASP D N 1 ? ? +15758 ATOM C CA . ASP D 4 287 ? 10.863 -25.629 -44.900 1.00 41.87 ? 297 ASP D CA 1 ? ? +15759 ATOM C CB . ASP D 4 287 ? 10.023 -24.605 -45.670 1.00 41.93 ? 297 ASP D CB 1 ? ? +15760 ATOM C CG . ASP D 4 287 ? 8.612 -24.333 -45.134 1.00 41.92 ? 297 ASP D CG 1 ? ? +15761 ATOM O OD1 . ASP D 4 287 ? 8.334 -24.677 -43.966 1.00 41.83 ? 297 ASP D OD1 1 ? ? +15762 ATOM O OD2 . ASP D 4 287 ? 7.821 -23.756 -45.868 1.00 41.93 ? 297 ASP D OD2 1 ? ? +15763 ATOM C C . ASP D 4 287 ? 11.416 -24.986 -43.648 1.00 41.80 ? 297 ASP D C 1 ? ? +15764 ATOM O O . ASP D 4 287 ? 11.059 -25.375 -42.550 1.00 41.76 ? 297 ASP D O 1 ? ? +15765 ATOM N N . PHE D 4 288 ? 12.379 -24.088 -43.877 1.00 41.97 ? 298 PHE D N 1 ? ? +15766 ATOM C CA . PHE D 4 288 ? 12.858 -23.097 -42.936 1.00 41.88 ? 298 PHE D CA 1 ? ? +15767 ATOM C CB . PHE D 4 288 ? 14.412 -23.133 -42.749 1.00 41.94 ? 298 PHE D CB 1 ? ? +15768 ATOM C CG . PHE D 4 288 ? 14.894 -24.317 -41.962 1.00 41.99 ? 298 PHE D CG 1 ? ? +15769 ATOM C CD1 . PHE D 4 288 ? 14.558 -24.465 -40.622 1.00 41.96 ? 298 PHE D CD1 1 ? ? +15770 ATOM C CD2 . PHE D 4 288 ? 15.661 -25.292 -42.555 1.00 42.05 ? 298 PHE D CD2 1 ? ? +15771 ATOM C CE1 . PHE D 4 288 ? 14.980 -25.566 -39.901 1.00 41.89 ? 298 PHE D CE1 1 ? ? +15772 ATOM C CE2 . PHE D 4 288 ? 16.070 -26.398 -41.835 1.00 42.04 ? 298 PHE D CE2 1 ? ? +15773 ATOM C CZ . PHE D 4 288 ? 15.731 -26.530 -40.511 1.00 41.99 ? 298 PHE D CZ 1 ? ? +15774 ATOM C C . PHE D 4 288 ? 12.518 -21.755 -43.570 1.00 41.84 ? 298 PHE D C 1 ? ? +15775 ATOM O O . PHE D 4 288 ? 13.181 -21.340 -44.530 1.00 41.96 ? 298 PHE D O 1 ? ? +15776 ATOM N N . ILE D 4 289 ? 11.542 -21.053 -42.987 1.00 41.56 ? 299 ILE D N 1 ? ? +15777 ATOM C CA . ILE D 4 289 ? 11.105 -19.786 -43.551 1.00 41.52 ? 299 ILE D CA 1 ? ? +15778 ATOM C CB . ILE D 4 289 ? 9.921 -19.247 -42.722 1.00 41.46 ? 299 ILE D CB 1 ? ? +15779 ATOM C CG1 . ILE D 4 289 ? 8.764 -20.253 -42.724 1.00 41.55 ? 299 ILE D CG1 1 ? ? +15780 ATOM C CG2 . ILE D 4 289 ? 9.495 -17.895 -43.231 1.00 41.56 ? 299 ILE D CG2 1 ? ? +15781 ATOM C CD1 . ILE D 4 289 ? 7.633 -19.914 -41.736 1.00 41.60 ? 299 ILE D CD1 1 ? ? +15782 ATOM C C . ILE D 4 289 ? 12.231 -18.755 -43.709 1.00 41.31 ? 299 ILE D C 1 ? ? +15783 ATOM O O . ILE D 4 289 ? 12.274 -18.045 -44.704 1.00 41.38 ? 299 ILE D O 1 ? ? +15784 ATOM N N . SER D 4 290 ? 13.135 -18.634 -42.738 1.00 41.13 ? 300 SER D N 1 ? ? +15785 ATOM C CA . SER D 4 290 ? 14.259 -17.702 -42.887 1.00 41.16 ? 300 SER D CA 1 ? ? +15786 ATOM C CB . SER D 4 290 ? 15.241 -17.752 -41.721 1.00 41.05 ? 300 SER D CB 1 ? ? +15787 ATOM O OG . SER D 4 290 ? 15.623 -19.085 -41.455 1.00 41.10 ? 300 SER D OG 1 ? ? +15788 ATOM C C . SER D 4 290 ? 15.037 -17.918 -44.177 1.00 41.20 ? 300 SER D C 1 ? ? +15789 ATOM O O . SER D 4 290 ? 15.315 -16.966 -44.895 1.00 41.32 ? 300 SER D O 1 ? ? +15790 ATOM N N . GLN D 4 291 ? 15.337 -19.177 -44.484 1.00 41.26 ? 301 GLN D N 1 ? ? +15791 ATOM C CA . GLN D 4 291 ? 16.027 -19.532 -45.718 1.00 41.51 ? 301 GLN D CA 1 ? ? +15792 ATOM C CB . GLN D 4 291 ? 16.206 -21.033 -45.849 1.00 41.53 ? 301 GLN D CB 1 ? ? +15793 ATOM C CG . GLN D 4 291 ? 17.035 -21.670 -44.790 1.00 41.52 ? 301 GLN D CG 1 ? ? +15794 ATOM C CD . GLN D 4 291 ? 18.521 -21.558 -45.020 1.00 41.70 ? 301 GLN D CD 1 ? ? +15795 ATOM O OE1 . GLN D 4 291 ? 19.215 -21.012 -44.170 1.00 41.82 ? 301 GLN D OE1 1 ? ? +15796 ATOM N NE2 . GLN D 4 291 ? 19.016 -22.088 -46.128 1.00 41.84 ? 301 GLN D NE2 1 ? ? +15797 ATOM C C . GLN D 4 291 ? 15.271 -19.103 -46.968 1.00 41.78 ? 301 GLN D C 1 ? ? +15798 ATOM O O . GLN D 4 291 ? 15.876 -18.690 -47.957 1.00 42.06 ? 301 GLN D O 1 ? ? +15799 ATOM N N . GLU D 4 292 ? 13.940 -19.284 -46.947 1.00 41.78 ? 302 GLU D N 1 ? ? +15800 ATOM C CA . GLU D 4 292 ? 13.154 -19.066 -48.141 1.00 41.95 ? 302 GLU D CA 1 ? ? +15801 ATOM C CB . GLU D 4 292 ? 11.762 -19.691 -48.004 1.00 41.84 ? 302 GLU D CB 1 ? ? +15802 ATOM C CG . GLU D 4 292 ? 11.783 -21.207 -47.940 1.00 41.63 ? 302 GLU D CG 1 ? ? +15803 ATOM C CD . GLU D 4 292 ? 12.316 -21.929 -49.158 1.00 41.66 ? 302 GLU D CD 1 ? ? +15804 ATOM O OE1 . GLU D 4 292 ? 12.638 -21.282 -50.187 1.00 41.72 ? 302 GLU D OE1 1 ? ? +15805 ATOM O OE2 . GLU D 4 292 ? 12.421 -23.171 -49.065 1.00 41.58 ? 302 GLU D OE2 1 ? ? +15806 ATOM C C . GLU D 4 292 ? 13.068 -17.576 -48.428 1.00 42.36 ? 302 GLU D C 1 ? ? +15807 ATOM O O . GLU D 4 292 ? 13.132 -17.171 -49.588 1.00 42.71 ? 302 GLU D O 1 ? ? +15808 ATOM N N . ILE D 4 293 ? 12.927 -16.774 -47.368 1.00 42.58 ? 303 ILE D N 1 ? ? +15809 ATOM C CA . ILE D 4 293 ? 12.854 -15.329 -47.505 1.00 42.95 ? 303 ILE D CA 1 ? ? +15810 ATOM C CB . ILE D 4 293 ? 12.432 -14.683 -46.168 1.00 42.86 ? 303 ILE D CB 1 ? ? +15811 ATOM C CG1 . ILE D 4 293 ? 10.955 -15.015 -45.908 1.00 43.11 ? 303 ILE D CG1 1 ? ? +15812 ATOM C CG2 . ILE D 4 293 ? 12.628 -13.201 -46.175 1.00 42.95 ? 303 ILE D CG2 1 ? ? +15813 ATOM C CD1 . ILE D 4 293 ? 10.373 -14.475 -44.633 1.00 43.14 ? 303 ILE D CD1 1 ? ? +15814 ATOM C C . ILE D 4 293 ? 14.163 -14.800 -48.085 1.00 43.35 ? 303 ILE D C 1 ? ? +15815 ATOM O O . ILE D 4 293 ? 14.146 -14.028 -49.038 1.00 43.50 ? 303 ILE D O 1 ? ? +15816 ATOM N N . ARG D 4 294 ? 15.292 -15.238 -47.527 1.00 43.75 ? 304 ARG D N 1 ? ? +15817 ATOM C CA . ARG D 4 294 ? 16.579 -14.839 -48.073 1.00 44.49 ? 304 ARG D CA 1 ? ? +15818 ATOM C CB . ARG D 4 294 ? 17.718 -15.457 -47.252 1.00 45.04 ? 304 ARG D CB 1 ? ? +15819 ATOM C CG . ARG D 4 294 ? 19.120 -15.134 -47.745 1.00 45.85 ? 304 ARG D CG 1 ? ? +15820 ATOM C CD . ARG D 4 294 ? 19.428 -13.685 -47.673 1.00 46.63 ? 304 ARG D CD 1 ? ? +15821 ATOM N NE . ARG D 4 294 ? 20.741 -13.391 -48.249 1.00 47.97 ? 304 ARG D NE 1 ? ? +15822 ATOM C CZ . ARG D 4 294 ? 21.908 -13.722 -47.707 1.00 48.50 ? 304 ARG D CZ 1 ? ? +15823 ATOM N NH1 . ARG D 4 294 ? 22.001 -14.149 -46.463 1.00 48.66 ? 304 ARG D NH1 1 ? ? +15824 ATOM N NH2 . ARG D 4 294 ? 23.010 -13.639 -48.439 1.00 49.36 ? 304 ARG D NH2 1 ? ? +15825 ATOM C C . ARG D 4 294 ? 16.689 -15.247 -49.541 1.00 44.69 ? 304 ARG D C 1 ? ? +15826 ATOM O O . ARG D 4 294 ? 16.997 -14.423 -50.389 1.00 44.76 ? 304 ARG D O 1 ? ? +15827 ATOM N N . ALA D 4 295 ? 16.373 -16.512 -49.838 1.00 44.94 ? 305 ALA D N 1 ? ? +15828 ATOM C CA . ALA D 4 295 ? 16.582 -17.073 -51.162 1.00 45.48 ? 305 ALA D CA 1 ? ? +15829 ATOM C CB . ALA D 4 295 ? 16.306 -18.567 -51.131 1.00 45.30 ? 305 ALA D CB 1 ? ? +15830 ATOM C C . ALA D 4 295 ? 15.735 -16.407 -52.238 1.00 46.31 ? 305 ALA D C 1 ? ? +15831 ATOM O O . ALA D 4 295 ? 16.219 -16.129 -53.326 1.00 46.28 ? 305 ALA D O 1 ? ? +15832 ATOM N N . ALA D 4 296 ? 14.460 -16.154 -51.923 1.00 47.38 ? 306 ALA D N 1 ? ? +15833 ATOM C CA . ALA D 4 296 ? 13.557 -15.486 -52.845 1.00 48.43 ? 306 ALA D CA 1 ? ? +15834 ATOM C CB . ALA D 4 296 ? 12.194 -15.329 -52.204 1.00 48.10 ? 306 ALA D CB 1 ? ? +15835 ATOM C C . ALA D 4 296 ? 14.096 -14.122 -53.274 1.00 49.89 ? 306 ALA D C 1 ? ? +15836 ATOM O O . ALA D 4 296 ? 13.979 -13.746 -54.435 1.00 50.89 ? 306 ALA D O 1 ? ? +15837 ATOM N N . GLU D 4 297 ? 14.671 -13.379 -52.322 1.00 51.02 ? 307 GLU D N 1 ? ? +15838 ATOM C CA . GLU D 4 297 ? 15.166 -12.036 -52.572 1.00 52.54 ? 307 GLU D CA 1 ? ? +15839 ATOM C CB . GLU D 4 297 ? 15.167 -11.219 -51.276 1.00 55.14 ? 307 GLU D CB 1 ? ? +15840 ATOM C CG . GLU D 4 297 ? 13.787 -10.838 -50.772 1.00 58.23 ? 307 GLU D CG 1 ? ? +15841 ATOM C CD . GLU D 4 297 ? 13.796 -10.237 -49.377 1.00 61.33 ? 307 GLU D CD 1 ? ? +15842 ATOM O OE1 . GLU D 4 297 ? 14.907 -10.032 -48.824 1.00 61.38 ? 307 GLU D OE1 1 ? ? +15843 ATOM O OE2 . GLU D 4 297 ? 12.686 -10.022 -48.825 1.00 64.47 ? 307 GLU D OE2 1 ? ? +15844 ATOM C C . GLU D 4 297 ? 16.594 -11.996 -53.107 1.00 51.66 ? 307 GLU D C 1 ? ? +15845 ATOM O O . GLU D 4 297 ? 16.993 -11.015 -53.722 1.00 52.00 ? 307 GLU D O 1 ? ? +15846 ATOM N N . ASP D 4 298 ? 17.371 -13.041 -52.822 1.00 50.34 ? 308 ASP D N 1 ? ? +15847 ATOM C CA . ASP D 4 298 ? 18.795 -13.058 -53.115 1.00 49.51 ? 308 ASP D CA 1 ? ? +15848 ATOM C CB . ASP D 4 298 ? 19.574 -13.078 -51.821 1.00 49.12 ? 308 ASP D CB 1 ? ? +15849 ATOM C CG . ASP D 4 298 ? 21.049 -13.021 -52.010 1.00 48.86 ? 308 ASP D CG 1 ? ? +15850 ATOM O OD1 . ASP D 4 298 ? 21.495 -12.975 -53.174 1.00 48.83 ? 308 ASP D OD1 1 ? ? +15851 ATOM O OD2 . ASP D 4 298 ? 21.755 -13.036 -51.005 1.00 48.83 ? 308 ASP D OD2 1 ? ? +15852 ATOM C C . ASP D 4 298 ? 19.169 -14.265 -53.970 1.00 49.05 ? 308 ASP D C 1 ? ? +15853 ATOM O O . ASP D 4 298 ? 19.442 -15.355 -53.457 1.00 48.14 ? 308 ASP D O 1 ? ? +15854 ATOM N N . PRO D 4 299 ? 19.179 -14.101 -55.310 1.00 49.51 ? 309 PRO D N 1 ? ? +15855 ATOM C CA . PRO D 4 299 ? 19.510 -15.200 -56.213 1.00 49.81 ? 309 PRO D CA 1 ? ? +15856 ATOM C CB . PRO D 4 299 ? 19.158 -14.624 -57.590 1.00 50.22 ? 309 PRO D CB 1 ? ? +15857 ATOM C CG . PRO D 4 299 ? 18.294 -13.436 -57.319 1.00 50.28 ? 309 PRO D CG 1 ? ? +15858 ATOM C CD . PRO D 4 299 ? 18.788 -12.885 -56.039 1.00 49.96 ? 309 PRO D CD 1 ? ? +15859 ATOM C C . PRO D 4 299 ? 20.949 -15.728 -56.182 1.00 49.44 ? 309 PRO D C 1 ? ? +15860 ATOM O O . PRO D 4 299 ? 21.277 -16.628 -56.946 1.00 49.22 ? 309 PRO D O 1 ? ? +15861 ATOM N N . GLU D 4 300 ? 21.797 -15.213 -55.292 1.00 49.33 ? 310 GLU D N 1 ? ? +15862 ATOM C CA . GLU D 4 300 ? 23.116 -15.803 -55.099 1.00 49.72 ? 310 GLU D CA 1 ? ? +15863 ATOM C CB . GLU D 4 300 ? 24.186 -14.724 -55.088 1.00 51.03 ? 310 GLU D CB 1 ? ? +15864 ATOM C CG . GLU D 4 300 ? 24.388 -14.170 -56.471 1.00 52.83 ? 310 GLU D CG 1 ? ? +15865 ATOM C CD . GLU D 4 300 ? 25.435 -13.098 -56.500 1.00 55.15 ? 310 GLU D CD 1 ? ? +15866 ATOM O OE1 . GLU D 4 300 ? 25.119 -11.960 -56.089 1.00 57.37 ? 310 GLU D OE1 1 ? ? +15867 ATOM O OE2 . GLU D 4 300 ? 26.594 -13.407 -56.865 1.00 57.76 ? 310 GLU D OE2 1 ? ? +15868 ATOM C C . GLU D 4 300 ? 23.224 -16.629 -53.824 1.00 48.38 ? 310 GLU D C 1 ? ? +15869 ATOM O O . GLU D 4 300 ? 24.281 -17.167 -53.529 1.00 48.70 ? 310 GLU D O 1 ? ? +15870 ATOM N N . PHE D 4 301 ? 22.133 -16.721 -53.066 1.00 46.95 ? 311 PHE D N 1 ? ? +15871 ATOM C CA . PHE D 4 301 ? 22.148 -17.467 -51.824 1.00 45.90 ? 311 PHE D CA 1 ? ? +15872 ATOM C CB . PHE D 4 301 ? 21.228 -16.820 -50.810 1.00 45.52 ? 311 PHE D CB 1 ? ? +15873 ATOM C CG . PHE D 4 301 ? 21.176 -17.510 -49.481 1.00 45.04 ? 311 PHE D CG 1 ? ? +15874 ATOM C CD1 . PHE D 4 301 ? 22.252 -17.473 -48.627 1.00 44.87 ? 311 PHE D CD1 1 ? ? +15875 ATOM C CD2 . PHE D 4 301 ? 20.034 -18.179 -49.076 1.00 44.85 ? 311 PHE D CD2 1 ? ? +15876 ATOM C CE1 . PHE D 4 301 ? 22.196 -18.092 -47.399 1.00 44.63 ? 311 PHE D CE1 1 ? ? +15877 ATOM C CE2 . PHE D 4 301 ? 19.986 -18.806 -47.849 1.00 44.52 ? 311 PHE D CE2 1 ? ? +15878 ATOM C CZ . PHE D 4 301 ? 21.065 -18.764 -47.020 1.00 44.46 ? 311 PHE D CZ 1 ? ? +15879 ATOM C C . PHE D 4 301 ? 21.749 -18.907 -52.125 1.00 45.38 ? 311 PHE D C 1 ? ? +15880 ATOM O O . PHE D 4 301 ? 20.683 -19.162 -52.676 1.00 45.41 ? 311 PHE D O 1 ? ? +15881 ATOM N N A GLU D 4 302 ? 22.626 -19.843 -51.754 0.40 45.19 ? 312 GLU D N 1 ? ? +15882 ATOM N N B GLU D 4 302 ? 22.622 -19.843 -51.750 0.60 45.06 ? 312 GLU D N 1 ? ? +15883 ATOM C CA A GLU D 4 302 ? 22.429 -21.253 -52.033 0.40 44.99 ? 312 GLU D CA 1 ? ? +15884 ATOM C CA B GLU D 4 302 ? 22.420 -21.255 -52.013 0.60 44.78 ? 312 GLU D CA 1 ? ? +15885 ATOM C C A GLU D 4 302 ? 23.017 -22.084 -50.900 0.40 44.66 ? 312 GLU D C 1 ? ? +15886 ATOM C C B GLU D 4 302 ? 23.006 -22.076 -50.871 0.60 44.39 ? 312 GLU D C 1 ? ? +15887 ATOM O O A GLU D 4 302 ? 24.152 -21.871 -50.481 0.40 44.70 ? 312 GLU D O 1 ? ? +15888 ATOM O O B GLU D 4 302 ? 24.135 -21.849 -50.444 0.60 44.40 ? 312 GLU D O 1 ? ? +15889 ATOM C CB A GLU D 4 302 ? 23.063 -21.643 -53.378 0.40 45.34 ? 312 GLU D CB 1 ? ? +15890 ATOM C CB B GLU D 4 302 ? 23.054 -21.661 -53.353 0.60 45.12 ? 312 GLU D CB 1 ? ? +15891 ATOM C CG A GLU D 4 302 ? 22.815 -23.088 -53.786 0.40 45.37 ? 312 GLU D CG 1 ? ? +15892 ATOM C CG B GLU D 4 302 ? 22.781 -23.104 -53.764 0.60 45.16 ? 312 GLU D CG 1 ? ? +15893 ATOM C CD A GLU D 4 302 ? 23.100 -23.379 -55.250 0.40 45.75 ? 312 GLU D CD 1 ? ? +15894 ATOM C CD B GLU D 4 302 ? 22.999 -23.397 -55.242 0.60 45.52 ? 312 GLU D CD 1 ? ? +15895 ATOM O OE1 A GLU D 4 302 ? 23.641 -22.476 -55.923 0.40 46.09 ? 312 GLU D OE1 1 ? ? +15896 ATOM O OE1 B GLU D 4 302 ? 23.452 -22.479 -55.956 0.60 45.87 ? 312 GLU D OE1 1 ? ? +15897 ATOM O OE2 A GLU D 4 302 ? 22.776 -24.489 -55.733 0.40 45.82 ? 312 GLU D OE2 1 ? ? +15898 ATOM O OE2 B GLU D 4 302 ? 22.706 -24.527 -55.699 0.60 45.60 ? 312 GLU D OE2 1 ? ? +15899 ATOM N N A THR D 4 303 ? 22.198 -23.012 -50.403 0.40 44.28 ? 313 THR D N 1 ? ? +15900 ATOM N N B THR D 4 303 ? 22.198 -23.014 -50.372 0.60 43.98 ? 313 THR D N 1 ? ? +15901 ATOM C CA A THR D 4 303 ? 22.592 -23.926 -49.349 0.40 43.99 ? 313 THR D CA 1 ? ? +15902 ATOM C CA B THR D 4 303 ? 22.607 -23.926 -49.321 0.60 43.64 ? 313 THR D CA 1 ? ? +15903 ATOM C C A THR D 4 303 ? 22.179 -25.330 -49.773 0.40 43.85 ? 313 THR D C 1 ? ? +15904 ATOM C C B THR D 4 303 ? 22.215 -25.331 -49.763 0.60 43.47 ? 313 THR D C 1 ? ? +15905 ATOM O O A THR D 4 303 ? 21.500 -25.509 -50.779 0.40 43.89 ? 313 THR D O 1 ? ? +15906 ATOM O O B THR D 4 303 ? 21.548 -25.508 -50.773 0.60 43.47 ? 313 THR D O 1 ? ? +15907 ATOM C CB A THR D 4 303 ? 21.947 -23.545 -48.021 0.40 43.71 ? 313 THR D CB 1 ? ? +15908 ATOM C CB B THR D 4 303 ? 21.962 -23.557 -47.984 0.60 43.35 ? 313 THR D CB 1 ? ? +15909 ATOM O OG1 A THR D 4 303 ? 20.537 -23.777 -48.125 0.40 43.58 ? 313 THR D OG1 1 ? ? +15910 ATOM O OG1 B THR D 4 303 ? 20.554 -23.824 -48.061 0.60 43.21 ? 313 THR D OG1 1 ? ? +15911 ATOM C CG2 A THR D 4 303 ? 22.216 -22.103 -47.636 0.40 43.66 ? 313 THR D CG2 1 ? ? +15912 ATOM C CG2 B THR D 4 303 ? 22.192 -22.111 -47.606 0.60 43.28 ? 313 THR D CG2 1 ? ? +15913 ATOM N N A PHE D 4 304 ? 22.610 -26.324 -48.999 0.40 43.67 ? 314 PHE D N 1 ? ? +15914 ATOM N N B PHE D 4 304 ? 22.646 -26.326 -48.990 0.60 43.26 ? 314 PHE D N 1 ? ? +15915 ATOM C CA A PHE D 4 304 ? 22.219 -27.698 -49.246 0.40 43.56 ? 314 PHE D CA 1 ? ? +15916 ATOM C CA B PHE D 4 304 ? 22.237 -27.700 -49.218 0.60 43.12 ? 314 PHE D CA 1 ? ? +15917 ATOM C C A PHE D 4 304 ? 20.730 -27.857 -48.964 0.40 43.25 ? 314 PHE D C 1 ? ? +15918 ATOM C C B PHE D 4 304 ? 20.747 -27.863 -48.933 0.60 42.80 ? 314 PHE D C 1 ? ? +15919 ATOM O O A PHE D 4 304 ? 20.100 -28.785 -49.454 0.40 43.31 ? 314 PHE D O 1 ? ? +15920 ATOM O O B PHE D 4 304 ? 20.135 -28.814 -49.400 0.60 42.86 ? 314 PHE D O 1 ? ? +15921 ATOM C CB A PHE D 4 304 ? 23.051 -28.649 -48.395 0.40 43.56 ? 314 PHE D CB 1 ? ? +15922 ATOM C CB B PHE D 4 304 ? 23.065 -28.658 -48.367 0.60 43.11 ? 314 PHE D CB 1 ? ? +15923 ATOM C CG A PHE D 4 304 ? 24.415 -28.916 -48.977 0.40 43.84 ? 314 PHE D CG 1 ? ? +15924 ATOM C CG B PHE D 4 304 ? 24.418 -28.939 -48.965 0.60 43.39 ? 314 PHE D CG 1 ? ? +15925 ATOM C CD1 A PHE D 4 304 ? 24.562 -29.727 -50.083 0.40 44.06 ? 314 PHE D CD1 1 ? ? +15926 ATOM C CD1 B PHE D 4 304 ? 24.542 -29.746 -50.078 0.60 43.60 ? 314 PHE D CD1 1 ? ? +15927 ATOM C CD2 A PHE D 4 304 ? 25.545 -28.343 -48.426 0.40 43.91 ? 314 PHE D CD2 1 ? ? +15928 ATOM C CD2 B PHE D 4 304 ? 25.564 -28.383 -48.424 0.60 43.45 ? 314 PHE D CD2 1 ? ? +15929 ATOM C CE1 A PHE D 4 304 ? 25.811 -29.974 -50.618 0.40 44.35 ? 314 PHE D CE1 1 ? ? +15930 ATOM C CE1 B PHE D 4 304 ? 25.781 -30.004 -50.633 0.60 43.90 ? 314 PHE D CE1 1 ? ? +15931 ATOM C CE2 A PHE D 4 304 ? 26.792 -28.592 -48.962 0.40 44.23 ? 314 PHE D CE2 1 ? ? +15932 ATOM C CE2 B PHE D 4 304 ? 26.801 -28.644 -48.977 0.60 43.78 ? 314 PHE D CE2 1 ? ? +15933 ATOM C CZ A PHE D 4 304 ? 26.920 -29.403 -50.058 0.40 44.45 ? 314 PHE D CZ 1 ? ? +15934 ATOM C CZ B PHE D 4 304 ? 26.906 -29.451 -50.081 0.60 44.00 ? 314 PHE D CZ 1 ? ? +15935 ATOM N N A TYR D 4 305 ? 20.169 -26.938 -48.177 0.40 42.96 ? 315 TYR D N 1 ? ? +15936 ATOM N N B TYR D 4 305 ? 20.167 -26.933 -48.172 0.60 42.48 ? 315 TYR D N 1 ? ? +15937 ATOM C CA A TYR D 4 305 ? 18.738 -26.957 -47.922 0.40 42.78 ? 315 TYR D CA 1 ? ? +15938 ATOM C CA B TYR D 4 305 ? 18.728 -26.939 -47.954 0.60 42.32 ? 315 TYR D CA 1 ? ? +15939 ATOM C C A TYR D 4 305 ? 17.984 -26.653 -49.215 0.40 42.85 ? 315 TYR D C 1 ? ? +15940 ATOM C C B TYR D 4 305 ? 17.991 -26.628 -49.258 0.60 42.40 ? 315 TYR D C 1 ? ? +15941 ATOM O O A TYR D 4 305 ? 17.102 -27.404 -49.611 0.40 42.94 ? 315 TYR D O 1 ? ? +15942 ATOM O O B TYR D 4 305 ? 17.112 -27.379 -49.657 0.60 42.49 ? 315 TYR D O 1 ? ? +15943 ATOM C CB A TYR D 4 305 ? 18.356 -25.975 -46.808 0.40 42.56 ? 315 TYR D CB 1 ? ? +15944 ATOM C CB B TYR D 4 305 ? 18.342 -25.968 -46.827 0.60 42.10 ? 315 TYR D CB 1 ? ? +15945 ATOM C CG A TYR D 4 305 ? 16.897 -25.596 -46.825 0.40 42.44 ? 315 TYR D CG 1 ? ? +15946 ATOM C CG B TYR D 4 305 ? 16.886 -25.591 -46.834 0.60 41.98 ? 315 TYR D CG 1 ? ? +15947 ATOM C CD1 A TYR D 4 305 ? 15.933 -26.453 -46.327 0.40 42.35 ? 315 TYR D CD1 1 ? ? +15948 ATOM C CD1 B TYR D 4 305 ? 15.926 -26.448 -46.330 0.60 41.90 ? 315 TYR D CD1 1 ? ? +15949 ATOM C CD2 A TYR D 4 305 ? 16.482 -24.396 -47.369 0.40 42.47 ? 315 TYR D CD2 1 ? ? +15950 ATOM C CD2 B TYR D 4 305 ? 16.468 -24.390 -47.376 0.60 42.02 ? 315 TYR D CD2 1 ? ? +15951 ATOM C CE1 A TYR D 4 305 ? 14.585 -26.109 -46.344 0.40 42.36 ? 315 TYR D CE1 1 ? ? +15952 ATOM C CE1 B TYR D 4 305 ? 14.576 -26.107 -46.342 0.60 41.92 ? 315 TYR D CE1 1 ? ? +15953 ATOM C CE2 A TYR D 4 305 ? 15.142 -24.044 -47.407 0.40 42.43 ? 315 TYR D CE2 1 ? ? +15954 ATOM C CE2 B TYR D 4 305 ? 15.128 -24.042 -47.412 0.60 41.98 ? 315 TYR D CE2 1 ? ? +15955 ATOM C CZ A TYR D 4 305 ? 14.190 -24.904 -46.892 0.40 42.38 ? 315 TYR D CZ 1 ? ? +15956 ATOM C CZ B TYR D 4 305 ? 14.178 -24.904 -46.892 0.60 41.93 ? 315 TYR D CZ 1 ? ? +15957 ATOM O OH A TYR D 4 305 ? 12.865 -24.552 -46.926 0.40 42.27 ? 315 TYR D OH 1 ? ? +15958 ATOM O OH B TYR D 4 305 ? 12.857 -24.551 -46.924 0.60 41.82 ? 315 TYR D OH 1 ? ? +15959 ATOM N N A THR D 4 306 ? 18.364 -25.567 -49.895 0.40 42.91 ? 316 THR D N 1 ? ? +15960 ATOM N N B THR D 4 306 ? 18.378 -25.545 -49.945 0.60 42.45 ? 316 THR D N 1 ? ? +15961 ATOM C CA A THR D 4 306 ? 17.732 -25.207 -51.153 0.40 43.02 ? 316 THR D CA 1 ? ? +15962 ATOM C CA B THR D 4 306 ? 17.749 -25.188 -51.208 0.60 42.56 ? 316 THR D CA 1 ? ? +15963 ATOM C C A THR D 4 306 ? 17.984 -26.281 -52.209 0.40 43.14 ? 316 THR D C 1 ? ? +15964 ATOM C C B THR D 4 306 ? 18.008 -26.230 -52.294 0.60 42.67 ? 316 THR D C 1 ? ? +15965 ATOM O O A THR D 4 306 ? 17.064 -26.716 -52.894 0.40 43.26 ? 316 THR D O 1 ? ? +15966 ATOM O O B THR D 4 306 ? 17.133 -26.523 -53.101 0.60 42.82 ? 316 THR D O 1 ? ? +15967 ATOM C CB A THR D 4 306 ? 18.169 -23.804 -51.578 0.40 43.14 ? 316 THR D CB 1 ? ? +15968 ATOM C CB B THR D 4 306 ? 18.156 -23.785 -51.678 0.60 42.71 ? 316 THR D CB 1 ? ? +15969 ATOM O OG1 A THR D 4 306 ? 19.594 -23.724 -51.635 0.40 43.33 ? 316 THR D OG1 1 ? ? +15970 ATOM O OG1 B THR D 4 306 ? 19.572 -23.711 -51.894 0.60 42.97 ? 316 THR D OG1 1 ? ? +15971 ATOM C CG2 A THR D 4 306 ? 17.663 -22.754 -50.629 0.40 42.98 ? 316 THR D CG2 1 ? ? +15972 ATOM C CG2 B THR D 4 306 ? 17.734 -22.730 -50.697 0.60 42.56 ? 316 THR D CG2 1 ? ? +15973 ATOM N N A LYS D 4 307 ? 19.230 -26.738 -52.320 0.40 43.13 ? 317 LYS D N 1 ? ? +15974 ATOM N N B LYS D 4 307 ? 19.210 -26.800 -52.310 0.60 42.62 ? 317 LYS D N 1 ? ? +15975 ATOM C CA A LYS D 4 307 ? 19.564 -27.760 -53.294 0.40 43.25 ? 317 LYS D CA 1 ? ? +15976 ATOM C CA B LYS D 4 307 ? 19.540 -27.828 -53.279 0.60 42.74 ? 317 LYS D CA 1 ? ? +15977 ATOM C C A LYS D 4 307 ? 18.662 -28.983 -53.168 0.40 43.19 ? 317 LYS D C 1 ? ? +15978 ATOM C C B LYS D 4 307 ? 18.607 -29.025 -53.137 0.60 42.66 ? 317 LYS D C 1 ? ? +15979 ATOM O O A LYS D 4 307 ? 18.325 -29.604 -54.168 0.40 43.43 ? 317 LYS D O 1 ? ? +15980 ATOM O O B LYS D 4 307 ? 18.166 -29.584 -54.132 0.60 42.91 ? 317 LYS D O 1 ? ? +15981 ATOM C CB A LYS D 4 307 ? 21.028 -28.188 -53.153 0.40 43.29 ? 317 LYS D CB 1 ? ? +15982 ATOM C CB B LYS D 4 307 ? 21.003 -28.269 -53.136 0.60 42.76 ? 317 LYS D CB 1 ? ? +15983 ATOM C CG A LYS D 4 307 ? 21.999 -27.183 -53.717 0.40 43.40 ? 317 LYS D CG 1 ? ? +15984 ATOM C CG B LYS D 4 307 ? 21.986 -27.240 -53.635 0.60 42.86 ? 317 LYS D CG 1 ? ? +15985 ATOM C CD A LYS D 4 307 ? 23.448 -27.454 -53.304 0.40 43.48 ? 317 LYS D CD 1 ? ? +15986 ATOM C CD B LYS D 4 307 ? 23.447 -27.551 -53.248 0.60 42.94 ? 317 LYS D CD 1 ? ? +15987 ATOM C CE A LYS D 4 307 ? 23.953 -28.792 -53.762 0.40 43.62 ? 317 LYS D CE 1 ? ? +15988 ATOM C CE B LYS D 4 307 ? 23.961 -28.855 -53.782 0.60 43.09 ? 317 LYS D CE 1 ? ? +15989 ATOM N NZ A LYS D 4 307 ? 24.022 -28.861 -55.242 0.40 43.89 ? 317 LYS D NZ 1 ? ? +15990 ATOM N NZ B LYS D 4 307 ? 24.021 -28.846 -55.264 0.60 43.35 ? 317 LYS D NZ 1 ? ? +15991 ATOM N N A ASN D 4 308 ? 18.282 -29.337 -51.939 0.40 42.96 ? 318 ASN D N 1 ? ? +15992 ATOM N N B ASN D 4 308 ? 18.297 -29.409 -51.900 0.60 42.42 ? 318 ASN D N 1 ? ? +15993 ATOM C CA A ASN D 4 308 ? 17.509 -30.549 -51.723 0.40 42.93 ? 318 ASN D CA 1 ? ? +15994 ATOM C CA B ASN D 4 308 ? 17.489 -30.594 -51.666 0.60 42.40 ? 318 ASN D CA 1 ? ? +15995 ATOM C C A ASN D 4 308 ? 16.049 -30.388 -52.144 0.40 42.99 ? 318 ASN D C 1 ? ? +15996 ATOM C C B ASN D 4 308 ? 16.020 -30.401 -52.043 0.60 42.46 ? 318 ASN D C 1 ? ? +15997 ATOM O O A ASN D 4 308 ? 15.444 -31.344 -52.623 0.40 43.13 ? 318 ASN D O 1 ? ? +15998 ATOM O O B ASN D 4 308 ? 15.364 -31.363 -52.430 0.60 42.59 ? 318 ASN D O 1 ? ? +15999 ATOM C CB A ASN D 4 308 ? 17.618 -31.009 -50.269 0.40 42.71 ? 318 ASN D CB 1 ? ? +16000 ATOM C CB B ASN D 4 308 ? 17.627 -31.049 -50.219 0.60 42.17 ? 318 ASN D CB 1 ? ? +16001 ATOM C CG A ASN D 4 308 ? 18.967 -31.616 -49.944 0.40 42.74 ? 318 ASN D CG 1 ? ? +16002 ATOM C CG B ASN D 4 308 ? 18.970 -31.681 -49.932 0.60 42.18 ? 318 ASN D CG 1 ? ? +16003 ATOM O OD1 A ASN D 4 308 ? 19.783 -31.869 -50.837 0.40 42.92 ? 318 ASN D OD1 1 ? ? +16004 ATOM O OD1 B ASN D 4 308 ? 19.711 -32.048 -50.851 0.60 42.32 ? 318 ASN D OD1 1 ? ? +16005 ATOM N ND2 A ASN D 4 308 ? 19.223 -31.881 -48.668 0.40 42.56 ? 318 ASN D ND2 1 ? ? +16006 ATOM N ND2 B ASN D 4 308 ? 19.293 -31.842 -48.656 0.60 41.97 ? 318 ASN D ND2 1 ? ? +16007 ATOM N N A LEU D 4 309 ? 15.496 -29.180 -51.974 0.40 42.96 ? 319 LEU D N 1 ? ? +16008 ATOM N N B LEU D 4 309 ? 15.517 -29.164 -51.941 0.60 42.46 ? 319 LEU D N 1 ? ? +16009 ATOM C CA A LEU D 4 309 ? 14.119 -28.901 -52.362 0.40 43.08 ? 319 LEU D CA 1 ? ? +16010 ATOM C CA B LEU D 4 309 ? 14.153 -28.857 -52.354 0.60 42.60 ? 319 LEU D CA 1 ? ? +16011 ATOM C C A LEU D 4 309 ? 13.958 -29.075 -53.868 0.40 43.38 ? 319 LEU D C 1 ? ? +16012 ATOM C C B LEU D 4 309 ? 13.992 -29.017 -53.861 0.60 42.91 ? 319 LEU D C 1 ? ? +16013 ATOM O O A LEU D 4 309 ? 12.954 -29.610 -54.331 0.40 43.46 ? 319 LEU D O 1 ? ? +16014 ATOM O O B LEU D 4 309 ? 12.966 -29.503 -54.324 0.60 42.97 ? 319 LEU D O 1 ? ? +16015 ATOM C CB A LEU D 4 309 ? 13.690 -27.483 -51.981 0.40 42.98 ? 319 LEU D CB 1 ? ? +16016 ATOM C CB B LEU D 4 309 ? 13.744 -27.438 -51.964 0.60 42.51 ? 319 LEU D CB 1 ? ? +16017 ATOM C CG A LEU D 4 309 ? 13.593 -27.199 -50.494 0.40 42.76 ? 319 LEU D CG 1 ? ? +16018 ATOM C CG B LEU D 4 309 ? 13.574 -27.165 -50.478 0.60 42.30 ? 319 LEU D CG 1 ? ? +16019 ATOM C CD1 A LEU D 4 309 ? 12.834 -25.925 -50.235 0.40 42.69 ? 319 LEU D CD1 1 ? ? +16020 ATOM C CD1 B LEU D 4 309 ? 12.735 -25.933 -50.252 0.60 42.25 ? 319 LEU D CD1 1 ? ? +16021 ATOM C CD2 A LEU D 4 309 ? 12.929 -28.322 -49.769 0.40 42.75 ? 319 LEU D CD2 1 ? ? +16022 ATOM C CD2 B LEU D 4 309 ? 12.930 -28.313 -49.766 0.60 42.31 ? 319 LEU D CD2 1 ? ? +16023 ATOM N N A LEU D 4 310 ? 14.974 -28.636 -54.621 0.40 43.55 ? 320 LEU D N 1 ? ? +16024 ATOM N N B LEU D 4 310 ? 15.030 -28.634 -54.617 0.60 43.08 ? 320 LEU D N 1 ? ? +16025 ATOM C CA A LEU D 4 310 ? 14.974 -28.790 -56.066 0.40 43.84 ? 320 LEU D CA 1 ? ? +16026 ATOM C CA B LEU D 4 310 ? 15.012 -28.798 -56.062 0.60 43.36 ? 320 LEU D CA 1 ? ? +16027 ATOM C C A LEU D 4 310 ? 14.848 -30.267 -56.427 0.40 43.98 ? 320 LEU D C 1 ? ? +16028 ATOM C C B LEU D 4 310 ? 14.872 -30.275 -56.420 0.60 43.49 ? 320 LEU D C 1 ? ? +16029 ATOM O O A LEU D 4 310 ? 14.135 -30.622 -57.362 0.40 44.20 ? 320 LEU D O 1 ? ? +16030 ATOM O O B LEU D 4 310 ? 14.121 -30.623 -57.328 0.60 43.73 ? 320 LEU D O 1 ? ? +16031 ATOM C CB A LEU D 4 310 ? 16.239 -28.187 -56.666 0.40 43.93 ? 320 LEU D CB 1 ? ? +16032 ATOM C CB B LEU D 4 310 ? 16.270 -28.198 -56.684 0.60 43.46 ? 320 LEU D CB 1 ? ? +16033 ATOM C CG A LEU D 4 310 ? 16.232 -26.671 -56.715 0.40 43.91 ? 320 LEU D CG 1 ? ? +16034 ATOM C CG B LEU D 4 310 ? 16.262 -26.679 -56.736 0.60 43.43 ? 320 LEU D CG 1 ? ? +16035 ATOM C CD1 A LEU D 4 310 ? 17.579 -26.124 -57.090 0.40 44.04 ? 320 LEU D CD1 1 ? ? +16036 ATOM C CD1 B LEU D 4 310 ? 17.610 -26.128 -57.083 0.60 43.57 ? 320 LEU D CD1 1 ? ? +16037 ATOM C CD2 A LEU D 4 310 ? 15.196 -26.168 -57.688 0.40 44.09 ? 320 LEU D CD2 1 ? ? +16038 ATOM C CD2 B LEU D 4 310 ? 15.256 -26.177 -57.740 0.60 43.62 ? 320 LEU D CD2 1 ? ? +16039 ATOM N N A LEU D 4 311 ? 15.539 -31.121 -55.665 0.40 43.83 ? 321 LEU D N 1 ? ? +16040 ATOM N N B LEU D 4 311 ? 15.580 -31.134 -55.678 0.60 43.35 ? 321 LEU D N 1 ? ? +16041 ATOM C CA A LEU D 4 311 ? 15.427 -32.560 -55.830 0.40 43.91 ? 321 LEU D CA 1 ? ? +16042 ATOM C CA B LEU D 4 311 ? 15.451 -32.573 -55.837 0.60 43.40 ? 321 LEU D CA 1 ? ? +16043 ATOM C C A LEU D 4 311 ? 14.012 -33.048 -55.514 0.40 43.92 ? 321 LEU D C 1 ? ? +16044 ATOM C C B LEU D 4 311 ? 14.035 -33.056 -55.512 0.60 43.43 ? 321 LEU D C 1 ? ? +16045 ATOM O O A LEU D 4 311 ? 13.455 -33.870 -56.236 0.40 44.12 ? 321 LEU D O 1 ? ? +16046 ATOM O O B LEU D 4 311 ? 13.487 -33.889 -56.225 0.60 43.62 ? 321 LEU D O 1 ? ? +16047 ATOM C CB A LEU D 4 311 ? 16.449 -33.236 -54.925 0.40 43.75 ? 321 LEU D CB 1 ? ? +16048 ATOM C CB B LEU D 4 311 ? 16.471 -33.271 -54.944 0.60 43.24 ? 321 LEU D CB 1 ? ? +16049 ATOM C CG A LEU D 4 311 ? 17.903 -32.846 -55.236 0.40 43.79 ? 321 LEU D CG 1 ? ? +16050 ATOM C CG B LEU D 4 311 ? 17.948 -32.913 -55.249 0.60 43.27 ? 321 LEU D CG 1 ? ? +16051 ATOM C CD1 A LEU D 4 311 ? 18.886 -33.588 -54.360 0.40 43.71 ? 321 LEU D CD1 1 ? ? +16052 ATOM C CD1 B LEU D 4 311 ? 18.905 -33.639 -54.334 0.60 43.18 ? 321 LEU D CD1 1 ? ? +16053 ATOM C CD2 A LEU D 4 311 ? 18.213 -33.096 -56.668 0.40 44.09 ? 321 LEU D CD2 1 ? ? +16054 ATOM C CD2 B LEU D 4 311 ? 18.288 -33.225 -56.655 0.60 43.57 ? 321 LEU D CD2 1 ? ? +16055 ATOM N N A ASN D 4 312 ? 13.440 -32.542 -54.418 0.40 43.71 ? 322 ASN D N 1 ? ? +16056 ATOM N N B ASN D 4 312 ? 13.452 -32.537 -54.427 0.60 43.22 ? 322 ASN D N 1 ? ? +16057 ATOM C CA A ASN D 4 312 ? 12.079 -32.881 -54.039 0.40 43.74 ? 322 ASN D CA 1 ? ? +16058 ATOM C CA B ASN D 4 312 ? 12.093 -32.887 -54.046 0.60 43.25 ? 322 ASN D CA 1 ? ? +16059 ATOM C C A ASN D 4 312 ? 11.104 -32.515 -55.151 0.40 43.96 ? 322 ASN D C 1 ? ? +16060 ATOM C C B ASN D 4 312 ? 11.104 -32.518 -55.146 0.60 43.50 ? 322 ASN D C 1 ? ? +16061 ATOM O O A ASN D 4 312 ? 10.215 -33.289 -55.485 0.40 44.13 ? 322 ASN D O 1 ? ? +16062 ATOM O O B ASN D 4 312 ? 10.217 -33.296 -55.471 0.60 43.68 ? 322 ASN D O 1 ? ? +16063 ATOM C CB A ASN D 4 312 ? 11.687 -32.158 -52.768 0.40 43.49 ? 322 ASN D CB 1 ? ? +16064 ATOM C CB B ASN D 4 312 ? 11.687 -32.185 -52.760 0.60 43.00 ? 322 ASN D CB 1 ? ? +16065 ATOM C CG A ASN D 4 312 ? 12.428 -32.642 -51.567 0.40 43.31 ? 322 ASN D CG 1 ? ? +16066 ATOM C CG B ASN D 4 312 ? 12.405 -32.682 -51.548 0.60 42.82 ? 322 ASN D CG 1 ? ? +16067 ATOM O OD1 A ASN D 4 312 ? 13.117 -33.667 -51.603 0.40 43.43 ? 322 ASN D OD1 1 ? ? +16068 ATOM O OD1 B ASN D 4 312 ? 13.058 -33.734 -51.557 0.60 42.92 ? 322 ASN D OD1 1 ? ? +16069 ATOM N ND2 A ASN D 4 312 ? 12.294 -31.920 -50.471 0.40 43.09 ? 322 ASN D ND2 1 ? ? +16070 ATOM N ND2 B ASN D 4 312 ? 12.287 -31.935 -50.469 0.60 42.60 ? 322 ASN D ND2 1 ? ? +16071 ATOM N N A GLU D 4 313 ? 11.290 -31.319 -55.711 0.40 44.04 ? 323 GLU D N 1 ? ? +16072 ATOM N N B GLU D 4 313 ? 11.285 -31.323 -55.712 0.60 43.62 ? 323 GLU D N 1 ? ? +16073 ATOM C CA A GLU D 4 313 ? 10.439 -30.814 -56.772 0.40 44.34 ? 323 GLU D CA 1 ? ? +16074 ATOM C CA B GLU D 4 313 ? 10.441 -30.826 -56.783 0.60 43.95 ? 323 GLU D CA 1 ? ? +16075 ATOM C C A GLU D 4 313 ? 10.547 -31.704 -58.007 0.40 44.64 ? 323 GLU D C 1 ? ? +16076 ATOM C C B GLU D 4 313 ? 10.547 -31.708 -58.023 0.60 44.29 ? 323 GLU D C 1 ? ? +16077 ATOM O O A GLU D 4 313 ? 9.559 -31.936 -58.705 0.40 44.93 ? 323 GLU D O 1 ? ? +16078 ATOM O O B GLU D 4 313 ? 9.554 -31.937 -58.714 0.60 44.58 ? 323 GLU D O 1 ? ? +16079 ATOM C CB A GLU D 4 313 ? 10.819 -29.361 -57.071 0.40 44.32 ? 323 GLU D CB 1 ? ? +16080 ATOM C CB B GLU D 4 313 ? 10.816 -29.379 -57.100 0.60 43.94 ? 323 GLU D CB 1 ? ? +16081 ATOM C CG A GLU D 4 313 ? 10.556 -28.458 -55.874 0.40 44.07 ? 323 GLU D CG 1 ? ? +16082 ATOM C CG B GLU D 4 313 ? 10.501 -28.448 -55.940 0.60 43.71 ? 323 GLU D CG 1 ? ? +16083 ATOM C CD A GLU D 4 313 ? 11.239 -27.107 -55.898 0.40 44.00 ? 323 GLU D CD 1 ? ? +16084 ATOM C CD B GLU D 4 313 ? 11.233 -27.124 -55.940 0.60 43.63 ? 323 GLU D CD 1 ? ? +16085 ATOM O OE1 A GLU D 4 313 ? 11.804 -26.740 -56.953 0.40 44.23 ? 323 GLU D OE1 1 ? ? +16086 ATOM O OE1 B GLU D 4 313 ? 11.802 -26.749 -56.988 0.60 43.86 ? 323 GLU D OE1 1 ? ? +16087 ATOM O OE2 A GLU D 4 313 ? 11.212 -26.412 -54.856 0.40 43.78 ? 323 GLU D OE2 1 ? ? +16088 ATOM O OE2 B GLU D 4 313 ? 11.235 -26.458 -54.881 0.60 43.41 ? 323 GLU D OE2 1 ? ? +16089 ATOM N N A GLY D 4 314 ? 11.752 -32.227 -58.246 0.40 44.53 ? 324 GLY D N 1 ? ? +16090 ATOM N N B GLY D 4 314 ? 11.753 -32.223 -58.279 0.60 44.22 ? 324 GLY D N 1 ? ? +16091 ATOM C CA A GLY D 4 314 ? 11.968 -33.161 -59.337 0.40 44.75 ? 324 GLY D CA 1 ? ? +16092 ATOM C CA B GLY D 4 314 ? 11.956 -33.169 -59.361 0.60 44.48 ? 324 GLY D CA 1 ? ? +16093 ATOM C C A GLY D 4 314 ? 11.240 -34.480 -59.106 0.40 44.78 ? 324 GLY D C 1 ? ? +16094 ATOM C C B GLY D 4 314 ? 11.234 -34.487 -59.111 0.60 44.54 ? 324 GLY D C 1 ? ? +16095 ATOM O O A GLY D 4 314 ? 10.588 -34.999 -60.006 0.40 45.14 ? 324 GLY D O 1 ? ? +16096 ATOM O O B GLY D 4 314 ? 10.581 -35.014 -60.002 0.60 44.90 ? 324 GLY D O 1 ? ? +16097 ATOM N N A ILE D 4 315 ? 11.357 -35.009 -57.886 0.40 44.44 ? 325 ILE D N 1 ? ? +16098 ATOM N N B ILE D 4 315 ? 11.355 -35.010 -57.890 0.60 44.26 ? 325 ILE D N 1 ? ? +16099 ATOM C CA A ILE D 4 315 ? 10.671 -36.231 -57.512 0.40 44.49 ? 325 ILE D CA 1 ? ? +16100 ATOM C CA B ILE D 4 315 ? 10.672 -36.236 -57.521 0.60 44.36 ? 325 ILE D CA 1 ? ? +16101 ATOM C C A ILE D 4 315 ? 9.163 -36.115 -57.734 0.40 44.58 ? 325 ILE D C 1 ? ? +16102 ATOM C C B ILE D 4 315 ? 9.162 -36.114 -57.733 0.60 44.51 ? 325 ILE D C 1 ? ? +16103 ATOM O O A ILE D 4 315 ? 8.565 -36.982 -58.364 0.40 44.86 ? 325 ILE D O 1 ? ? +16104 ATOM O O B ILE D 4 315 ? 8.563 -36.980 -58.360 0.60 44.79 ? 325 ILE D O 1 ? ? +16105 ATOM C CB A ILE D 4 315 ? 10.983 -36.585 -56.045 0.40 44.23 ? 325 ILE D CB 1 ? ? +16106 ATOM C CB B ILE D 4 315 ? 10.998 -36.620 -56.064 0.60 44.12 ? 325 ILE D CB 1 ? ? +16107 ATOM C CG1 A ILE D 4 315 ? 12.463 -36.947 -55.853 0.40 44.12 ? 325 ILE D CG1 1 ? ? +16108 ATOM C CG1 B ILE D 4 315 ? 12.463 -37.059 -55.915 0.60 44.02 ? 325 ILE D CG1 1 ? ? +16109 ATOM C CG2 A ILE D 4 315 ? 10.058 -37.700 -55.545 0.40 44.34 ? 325 ILE D CG2 1 ? ? +16110 ATOM C CG2 B ILE D 4 315 ? 10.039 -37.704 -55.549 0.60 44.22 ? 325 ILE D CG2 1 ? ? +16111 ATOM C CD1 A ILE D 4 315 ? 12.854 -37.028 -54.423 0.40 43.85 ? 325 ILE D CD1 1 ? ? +16112 ATOM C CD1 B ILE D 4 315 ? 12.899 -37.154 -54.496 0.60 43.75 ? 325 ILE D CD1 1 ? ? +16113 ATOM N N . ARG D 4 316 ? 8.562 -35.035 -57.220 1.00 44.35 ? 326 ARG D N 1 ? ? +16114 ATOM C CA . ARG D 4 316 ? 7.115 -34.866 -57.267 1.00 44.55 ? 326 ARG D CA 1 ? ? +16115 ATOM C CB . ARG D 4 316 ? 6.661 -33.596 -56.518 1.00 44.25 ? 326 ARG D CB 1 ? ? +16116 ATOM C CG . ARG D 4 316 ? 6.774 -33.703 -55.014 1.00 43.91 ? 326 ARG D CG 1 ? ? +16117 ATOM C CD . ARG D 4 316 ? 5.994 -32.619 -54.267 1.00 43.76 ? 326 ARG D CD 1 ? ? +16118 ATOM N NE . ARG D 4 316 ? 6.401 -31.271 -54.635 1.00 43.72 ? 326 ARG D NE 1 ? ? +16119 ATOM C CZ . ARG D 4 316 ? 7.257 -30.508 -53.949 1.00 43.45 ? 326 ARG D CZ 1 ? ? +16120 ATOM N NH1 . ARG D 4 316 ? 7.997 -30.996 -52.964 1.00 43.24 ? 326 ARG D NH1 1 ? ? +16121 ATOM N NH2 . ARG D 4 316 ? 7.380 -29.224 -54.270 1.00 43.41 ? 326 ARG D NH2 1 ? ? +16122 ATOM C C . ARG D 4 316 ? 6.581 -34.835 -58.699 1.00 44.97 ? 326 ARG D C 1 ? ? +16123 ATOM O O . ARG D 4 316 ? 5.625 -35.547 -59.017 1.00 45.26 ? 326 ARG D O 1 ? ? +16124 ATOM N N . ALA D 4 317 ? 7.228 -34.031 -59.560 1.00 44.98 ? 327 ALA D N 1 ? ? +16125 ATOM C CA . ALA D 4 317 ? 6.732 -33.812 -60.908 1.00 45.26 ? 327 ALA D CA 1 ? ? +16126 ATOM C CB . ALA D 4 317 ? 7.410 -32.635 -61.551 1.00 45.33 ? 327 ALA D CB 1 ? ? +16127 ATOM C C . ALA D 4 317 ? 6.910 -35.037 -61.790 1.00 45.47 ? 327 ALA D C 1 ? ? +16128 ATOM O O . ALA D 4 317 ? 6.049 -35.302 -62.634 1.00 45.84 ? 327 ALA D O 1 ? ? +16129 ATOM N N A TRP D 4 318 ? 8.010 -35.773 -61.576 0.40 45.28 ? 328 TRP D N 1 ? ? +16130 ATOM N N B TRP D 4 318 ? 8.013 -35.769 -61.577 0.60 45.26 ? 328 TRP D N 1 ? ? +16131 ATOM C CA A TRP D 4 318 ? 8.356 -36.911 -62.412 0.40 45.49 ? 328 TRP D CA 1 ? ? +16132 ATOM C CA B TRP D 4 318 ? 8.359 -36.912 -62.408 0.60 45.46 ? 328 TRP D CA 1 ? ? +16133 ATOM C C A TRP D 4 318 ? 7.698 -38.222 -61.986 0.40 45.62 ? 328 TRP D C 1 ? ? +16134 ATOM C C B TRP D 4 318 ? 7.695 -38.220 -61.983 0.60 45.60 ? 328 TRP D C 1 ? ? +16135 ATOM O O A TRP D 4 318 ? 7.463 -39.089 -62.823 0.40 45.99 ? 328 TRP D O 1 ? ? +16136 ATOM O O B TRP D 4 318 ? 7.459 -39.086 -62.820 0.60 45.96 ? 328 TRP D O 1 ? ? +16137 ATOM C CB A TRP D 4 318 ? 9.896 -37.078 -62.481 0.40 45.33 ? 328 TRP D CB 1 ? ? +16138 ATOM C CB B TRP D 4 318 ? 9.905 -37.089 -62.469 0.60 45.27 ? 328 TRP D CB 1 ? ? +16139 ATOM C CG A TRP D 4 318 ? 10.543 -36.074 -63.386 0.40 45.31 ? 328 TRP D CG 1 ? ? +16140 ATOM C CG B TRP D 4 318 ? 10.552 -36.090 -63.379 0.60 45.24 ? 328 TRP D CG 1 ? ? +16141 ATOM C CD1 A TRP D 4 318 ? 10.718 -34.745 -63.145 0.40 45.09 ? 328 TRP D CD1 1 ? ? +16142 ATOM C CD1 B TRP D 4 318 ? 10.717 -34.758 -63.151 0.60 45.01 ? 328 TRP D CD1 1 ? ? +16143 ATOM C CD2 A TRP D 4 318 ? 11.043 -36.312 -64.703 0.40 45.60 ? 328 TRP D CD2 1 ? ? +16144 ATOM C CD2 B TRP D 4 318 ? 11.046 -36.335 -64.693 0.60 45.50 ? 328 TRP D CD2 1 ? ? +16145 ATOM N NE1 A TRP D 4 318 ? 11.312 -34.144 -64.226 0.40 45.26 ? 328 TRP D NE1 1 ? ? +16146 ATOM N NE1 B TRP D 4 318 ? 11.297 -34.161 -64.239 0.60 45.17 ? 328 TRP D NE1 1 ? ? +16147 ATOM C CE2 A TRP D 4 318 ? 11.520 -35.085 -65.199 0.40 45.57 ? 328 TRP D CE2 1 ? ? +16148 ATOM C CE2 B TRP D 4 318 ? 11.509 -35.108 -65.203 0.60 45.48 ? 328 TRP D CE2 1 ? ? +16149 ATOM C CE3 A TRP D 4 318 ? 11.142 -37.447 -65.511 0.40 45.91 ? 328 TRP D CE3 1 ? ? +16150 ATOM C CE3 B TRP D 4 318 ? 11.151 -37.478 -65.492 0.60 45.82 ? 328 TRP D CE3 1 ? ? +16151 ATOM C CZ2 A TRP D 4 318 ? 12.088 -34.965 -66.461 0.40 45.88 ? 328 TRP D CZ2 1 ? ? +16152 ATOM C CZ2 B TRP D 4 318 ? 12.074 -34.996 -66.469 0.60 45.78 ? 328 TRP D CZ2 1 ? ? +16153 ATOM C CZ3 A TRP D 4 318 ? 11.714 -37.325 -66.760 0.40 46.19 ? 328 TRP D CZ3 1 ? ? +16154 ATOM C CZ3 B TRP D 4 318 ? 11.722 -37.364 -66.744 0.60 46.09 ? 328 TRP D CZ3 1 ? ? +16155 ATOM C CH2 A TRP D 4 318 ? 12.172 -36.097 -67.224 0.40 46.18 ? 328 TRP D CH2 1 ? ? +16156 ATOM C CH2 B TRP D 4 318 ? 12.163 -36.135 -67.224 0.60 46.08 ? 328 TRP D CH2 1 ? ? +16157 ATOM N N . MET D 4 319 ? 7.400 -38.376 -60.691 1.00 45.39 ? 329 MET D N 1 ? ? +16158 ATOM C CA . MET D 4 319 ? 6.752 -39.588 -60.209 1.00 45.62 ? 329 MET D CA 1 ? ? +16159 ATOM C CB . MET D 4 319 ? 7.417 -40.049 -58.895 1.00 45.37 ? 329 MET D CB 1 ? ? +16160 ATOM C CG . MET D 4 319 ? 6.712 -39.628 -57.648 1.00 45.19 ? 329 MET D CG 1 ? ? +16161 ATOM S SD . MET D 4 319 ? 7.400 -40.280 -56.101 1.00 44.90 ? 329 MET D SD 1 ? ? +16162 ATOM C CE . MET D 4 319 ? 7.052 -41.947 -56.283 1.00 45.26 ? 329 MET D CE 1 ? ? +16163 ATOM C C . MET D 4 319 ? 5.219 -39.512 -60.087 1.00 45.98 ? 329 MET D C 1 ? ? +16164 ATOM O O . MET D 4 319 ? 4.559 -40.540 -60.089 1.00 46.27 ? 329 MET D O 1 ? ? +16165 ATOM N N . ALA D 4 320 ? 4.626 -38.317 -60.022 1.00 45.99 ? 330 ALA D N 1 ? ? +16166 ATOM C CA . ALA D 4 320 ? 3.243 -38.207 -59.590 1.00 46.20 ? 330 ALA D CA 1 ? ? +16167 ATOM C CB . ALA D 4 320 ? 2.903 -36.751 -59.290 1.00 46.05 ? 330 ALA D CB 1 ? ? +16168 ATOM C C . ALA D 4 320 ? 2.218 -38.809 -60.559 1.00 46.77 ? 330 ALA D C 1 ? ? +16169 ATOM O O . ALA D 4 320 ? 1.268 -39.465 -60.123 1.00 47.07 ? 330 ALA D O 1 ? ? +16170 ATOM N N . PRO D 4 321 ? 2.352 -38.615 -61.895 1.00 47.01 ? 331 PRO D N 1 ? ? +16171 ATOM C CA . PRO D 4 321 ? 1.408 -39.201 -62.850 1.00 47.43 ? 331 PRO D CA 1 ? ? +16172 ATOM C CB . PRO D 4 321 ? 1.929 -38.719 -64.208 1.00 47.60 ? 331 PRO D CB 1 ? ? +16173 ATOM C CG . PRO D 4 321 ? 2.718 -37.468 -63.881 1.00 47.22 ? 331 PRO D CG 1 ? ? +16174 ATOM C CD . PRO D 4 321 ? 3.377 -37.787 -62.560 1.00 46.86 ? 331 PRO D CD 1 ? ? +16175 ATOM C C . PRO D 4 321 ? 1.296 -40.720 -62.774 1.00 47.64 ? 331 PRO D C 1 ? ? +16176 ATOM O O . PRO D 4 321 ? 0.184 -41.252 -62.723 1.00 48.07 ? 331 PRO D O 1 ? ? +16177 ATOM N N . GLN D 4 322 ? 2.432 -41.421 -62.735 1.00 47.41 ? 332 GLN D N 1 ? ? +16178 ATOM C CA . GLN D 4 322 ? 2.419 -42.874 -62.679 1.00 47.63 ? 332 GLN D CA 1 ? ? +16179 ATOM C CB . GLN D 4 322 ? 3.754 -43.477 -63.165 1.00 47.78 ? 332 GLN D CB 1 ? ? +16180 ATOM C CG . GLN D 4 322 ? 4.242 -43.002 -64.535 1.00 48.06 ? 332 GLN D CG 1 ? ? +16181 ATOM C CD . GLN D 4 322 ? 4.816 -41.586 -64.491 1.00 47.82 ? 332 GLN D CD 1 ? ? +16182 ATOM O OE1 . GLN D 4 322 ? 5.081 -40.987 -63.418 1.00 47.40 ? 332 GLN D OE1 1 ? ? +16183 ATOM N NE2 . GLN D 4 322 ? 5.006 -40.986 -65.671 1.00 48.13 ? 332 GLN D NE2 1 ? ? +16184 ATOM C C . GLN D 4 322 ? 2.117 -43.402 -61.272 1.00 47.31 ? 332 GLN D C 1 ? ? +16185 ATOM O O . GLN D 4 322 ? 1.597 -44.504 -61.123 1.00 47.56 ? 332 GLN D O 1 ? ? +16186 ATOM N N . ASP D 4 323 ? 2.439 -42.623 -60.232 1.00 46.78 ? 333 ASP D N 1 ? ? +16187 ATOM C CA . ASP D 4 323 ? 2.270 -43.063 -58.854 1.00 46.55 ? 333 ASP D CA 1 ? ? +16188 ATOM C CB . ASP D 4 323 ? 3.308 -42.363 -57.994 1.00 45.85 ? 333 ASP D CB 1 ? ? +16189 ATOM C CG . ASP D 4 323 ? 3.376 -42.840 -56.571 1.00 45.52 ? 333 ASP D CG 1 ? ? +16190 ATOM O OD1 . ASP D 4 323 ? 3.598 -44.036 -56.367 1.00 45.57 ? 333 ASP D OD1 1 ? ? +16191 ATOM O OD2 . ASP D 4 323 ? 3.221 -42.004 -55.658 1.00 45.17 ? 333 ASP D OD2 1 ? ? +16192 ATOM C C . ASP D 4 323 ? 0.869 -42.813 -58.277 1.00 46.86 ? 333 ASP D C 1 ? ? +16193 ATOM O O . ASP D 4 323 ? 0.458 -43.480 -57.322 1.00 46.71 ? 333 ASP D O 1 ? ? +16194 ATOM N N . GLN D 4 324 ? 0.182 -41.816 -58.851 1.00 47.27 ? 334 GLN D N 1 ? ? +16195 ATOM C CA . GLN D 4 324 ? -1.169 -41.435 -58.467 1.00 47.78 ? 334 GLN D CA 1 ? ? +16196 ATOM C CB . GLN D 4 324 ? -1.150 -40.036 -57.816 1.00 47.56 ? 334 GLN D CB 1 ? ? +16197 ATOM C CG . GLN D 4 324 ? -0.201 -39.916 -56.630 1.00 47.13 ? 334 GLN D CG 1 ? ? +16198 ATOM C CD . GLN D 4 324 ? -0.251 -38.553 -56.006 1.00 46.92 ? 334 GLN D CD 1 ? ? +16199 ATOM O OE1 . GLN D 4 324 ? -1.313 -37.984 -55.772 1.00 47.22 ? 334 GLN D OE1 1 ? ? +16200 ATOM N NE2 . GLN D 4 324 ? 0.888 -37.980 -55.710 1.00 46.65 ? 334 GLN D NE2 1 ? ? +16201 ATOM C C . GLN D 4 324 ? -2.065 -41.430 -59.705 1.00 48.36 ? 334 GLN D C 1 ? ? +16202 ATOM O O . GLN D 4 324 ? -2.502 -40.378 -60.163 1.00 48.35 ? 334 GLN D O 1 ? ? +16203 ATOM N N . PRO D 4 325 ? -2.322 -42.600 -60.322 1.00 49.04 ? 335 PRO D N 1 ? ? +16204 ATOM C CA . PRO D 4 325 ? -3.023 -42.645 -61.607 1.00 49.78 ? 335 PRO D CA 1 ? ? +16205 ATOM C CB . PRO D 4 325 ? -2.999 -44.134 -61.967 1.00 50.05 ? 335 PRO D CB 1 ? ? +16206 ATOM C CG . PRO D 4 325 ? -2.772 -44.855 -60.652 1.00 49.75 ? 335 PRO D CG 1 ? ? +16207 ATOM C CD . PRO D 4 325 ? -1.956 -43.932 -59.811 1.00 49.12 ? 335 PRO D CD 1 ? ? +16208 ATOM C C . PRO D 4 325 ? -4.459 -42.117 -61.575 1.00 50.42 ? 335 PRO D C 1 ? ? +16209 ATOM O O . PRO D 4 325 ? -4.953 -41.620 -62.581 1.00 50.61 ? 335 PRO D O 1 ? ? +16210 ATOM N N . HIS D 4 326 ? -5.110 -42.215 -60.411 1.00 50.80 ? 336 HIS D N 1 ? ? +16211 ATOM C CA . HIS D 4 326 ? -6.475 -41.739 -60.237 1.00 51.59 ? 336 HIS D CA 1 ? ? +16212 ATOM C CB . HIS D 4 326 ? -7.004 -42.128 -58.852 1.00 51.60 ? 336 HIS D CB 1 ? ? +16213 ATOM C CG . HIS D 4 326 ? -6.138 -41.632 -57.735 1.00 50.97 ? 336 HIS D CG 1 ? ? +16214 ATOM N ND1 . HIS D 4 326 ? -5.008 -42.316 -57.358 1.00 50.67 ? 336 HIS D ND1 1 ? ? +16215 ATOM C CE1 . HIS D 4 326 ? -4.481 -41.615 -56.358 1.00 50.25 ? 336 HIS D CE1 1 ? ? +16216 ATOM N NE2 . HIS D 4 326 ? -5.216 -40.526 -56.082 1.00 50.17 ? 336 HIS D NE2 1 ? ? +16217 ATOM C CD2 . HIS D 4 326 ? -6.269 -40.530 -56.959 1.00 50.69 ? 336 HIS D CD2 1 ? ? +16218 ATOM C C . HIS D 4 326 ? -6.624 -40.224 -60.360 1.00 51.79 ? 336 HIS D C 1 ? ? +16219 ATOM O O . HIS D 4 326 ? -7.748 -39.727 -60.517 1.00 52.07 ? 336 HIS D O 1 ? ? +16220 ATOM N N . GLU D 4 327 ? -5.502 -39.505 -60.220 1.00 51.47 ? 337 GLU D N 1 ? ? +16221 ATOM C CA . GLU D 4 327 ? -5.492 -38.058 -60.359 1.00 51.80 ? 337 GLU D CA 1 ? ? +16222 ATOM C CB . GLU D 4 327 ? -4.277 -37.455 -59.639 1.00 51.50 ? 337 GLU D CB 1 ? ? +16223 ATOM C CG . GLU D 4 327 ? -4.395 -37.428 -58.119 1.00 51.60 ? 337 GLU D CG 1 ? ? +16224 ATOM C CD . GLU D 4 327 ? -5.311 -36.363 -57.521 1.00 51.81 ? 337 GLU D CD 1 ? ? +16225 ATOM O OE1 . GLU D 4 327 ? -5.887 -35.577 -58.303 1.00 52.41 ? 337 GLU D OE1 1 ? ? +16226 ATOM O OE2 . GLU D 4 327 ? -5.447 -36.300 -56.277 1.00 51.53 ? 337 GLU D OE2 1 ? ? +16227 ATOM C C . GLU D 4 327 ? -5.485 -37.611 -61.820 1.00 52.32 ? 337 GLU D C 1 ? ? +16228 ATOM O O . GLU D 4 327 ? -5.704 -36.440 -62.112 1.00 52.30 ? 337 GLU D O 1 ? ? +16229 ATOM N N . ASN D 4 328 ? -5.213 -38.537 -62.740 1.00 53.03 ? 338 ASN D N 1 ? ? +16230 ATOM C CA . ASN D 4 328 ? -5.136 -38.205 -64.148 1.00 53.95 ? 338 ASN D CA 1 ? ? +16231 ATOM C CB . ASN D 4 328 ? -6.528 -37.924 -64.624 1.00 55.90 ? 338 ASN D CB 1 ? ? +16232 ATOM C CG . ASN D 4 328 ? -6.792 -38.782 -65.756 1.00 58.00 ? 338 ASN D CG 1 ? ? +16233 ATOM O OD1 . ASN D 4 328 ? -6.229 -38.552 -66.849 1.00 59.97 ? 338 ASN D OD1 1 ? ? +16234 ATOM N ND2 . ASN D 4 328 ? -7.586 -39.837 -65.482 1.00 58.73 ? 338 ASN D ND2 1 ? ? +16235 ATOM C C . ASN D 4 328 ? -4.231 -37.017 -64.455 1.00 52.97 ? 338 ASN D C 1 ? ? +16236 ATOM O O . ASN D 4 328 ? -4.569 -36.179 -65.274 1.00 52.78 ? 338 ASN D O 1 ? ? +16237 ATOM N N . PHE D 4 329 ? -3.066 -36.956 -63.802 1.00 52.31 ? 339 PHE D N 1 ? ? +16238 ATOM C CA . PHE D 4 329 ? -2.105 -35.905 -64.091 1.00 51.79 ? 339 PHE D CA 1 ? ? +16239 ATOM C CB . PHE D 4 329 ? -0.930 -35.919 -63.109 1.00 50.85 ? 339 PHE D CB 1 ? ? +16240 ATOM C CG . PHE D 4 329 ? -1.298 -35.601 -61.672 1.00 50.21 ? 339 PHE D CG 1 ? ? +16241 ATOM C CD1 . PHE D 4 329 ? -2.036 -34.468 -61.357 1.00 50.01 ? 339 PHE D CD1 1 ? ? +16242 ATOM C CD2 . PHE D 4 329 ? -0.891 -36.422 -60.638 1.00 49.77 ? 339 PHE D CD2 1 ? ? +16243 ATOM C CE1 . PHE D 4 329 ? -2.356 -34.173 -60.042 1.00 49.57 ? 339 PHE D CE1 1 ? ? +16244 ATOM C CE2 . PHE D 4 329 ? -1.217 -36.122 -59.321 1.00 49.41 ? 339 PHE D CE2 1 ? ? +16245 ATOM C CZ . PHE D 4 329 ? -1.945 -35.002 -59.032 1.00 49.31 ? 339 PHE D CZ 1 ? ? +16246 ATOM C C . PHE D 4 329 ? -1.625 -36.068 -65.531 1.00 52.20 ? 339 PHE D C 1 ? ? +16247 ATOM O O . PHE D 4 329 ? -1.294 -37.173 -65.945 1.00 52.44 ? 339 PHE D O 1 ? ? +16248 ATOM N N . VAL D 4 330 ? -1.708 -34.978 -66.306 1.00 52.47 ? 340 VAL D N 1 ? ? +16249 ATOM C CA . VAL D 4 330 ? -1.055 -34.870 -67.597 1.00 52.72 ? 340 VAL D CA 1 ? ? +16250 ATOM C CB . VAL D 4 330 ? -2.068 -34.774 -68.744 1.00 53.43 ? 340 VAL D CB 1 ? ? +16251 ATOM C CG1 . VAL D 4 330 ? -1.380 -34.553 -70.090 1.00 53.72 ? 340 VAL D CG1 1 ? ? +16252 ATOM C CG2 . VAL D 4 330 ? -2.934 -36.024 -68.786 1.00 53.84 ? 340 VAL D CG2 1 ? ? +16253 ATOM C C . VAL D 4 330 ? -0.118 -33.667 -67.531 1.00 52.46 ? 340 VAL D C 1 ? ? +16254 ATOM O O . VAL D 4 330 ? -0.560 -32.518 -67.518 1.00 52.55 ? 340 VAL D O 1 ? ? +16255 ATOM N N . PHE D 4 331 ? 1.183 -33.954 -67.438 1.00 52.03 ? 341 PHE D N 1 ? ? +16256 ATOM C CA . PHE D 4 331 ? 2.195 -32.916 -67.411 1.00 51.65 ? 341 PHE D CA 1 ? ? +16257 ATOM C CB . PHE D 4 331 ? 3.190 -33.171 -66.267 1.00 51.38 ? 341 PHE D CB 1 ? ? +16258 ATOM C CG . PHE D 4 331 ? 2.642 -33.136 -64.852 1.00 51.18 ? 341 PHE D CG 1 ? ? +16259 ATOM C CD1 . PHE D 4 331 ? 1.374 -32.620 -64.584 1.00 51.49 ? 341 PHE D CD1 1 ? ? +16260 ATOM C CD2 . PHE D 4 331 ? 3.381 -33.640 -63.796 1.00 50.69 ? 341 PHE D CD2 1 ? ? +16261 ATOM C CE1 . PHE D 4 331 ? 0.878 -32.596 -63.280 1.00 51.21 ? 341 PHE D CE1 1 ? ? +16262 ATOM C CE2 . PHE D 4 331 ? 2.880 -33.616 -62.494 1.00 50.49 ? 341 PHE D CE2 1 ? ? +16263 ATOM C CZ . PHE D 4 331 ? 1.636 -33.095 -62.242 1.00 50.77 ? 341 PHE D CZ 1 ? ? +16264 ATOM C C . PHE D 4 331 ? 2.908 -32.911 -68.760 1.00 51.84 ? 341 PHE D C 1 ? ? +16265 ATOM O O . PHE D 4 331 ? 3.716 -33.797 -69.030 1.00 52.09 ? 341 PHE D O 1 ? ? +16266 ATOM N N . PRO D 4 332 ? 2.637 -31.941 -69.664 1.00 51.82 ? 342 PRO D N 1 ? ? +16267 ATOM C CA . PRO D 4 332 ? 3.373 -31.857 -70.925 1.00 51.90 ? 342 PRO D CA 1 ? ? +16268 ATOM C CB . PRO D 4 332 ? 2.802 -30.609 -71.586 1.00 52.23 ? 342 PRO D CB 1 ? ? +16269 ATOM C CG . PRO D 4 332 ? 1.512 -30.352 -70.916 1.00 52.29 ? 342 PRO D CG 1 ? ? +16270 ATOM C CD . PRO D 4 332 ? 1.629 -30.881 -69.523 1.00 51.88 ? 342 PRO D CD 1 ? ? +16271 ATOM C C . PRO D 4 332 ? 4.874 -31.738 -70.668 1.00 51.37 ? 342 PRO D C 1 ? ? +16272 ATOM O O . PRO D 4 332 ? 5.290 -31.319 -69.594 1.00 50.65 ? 342 PRO D O 1 ? ? +16273 ATOM N N . GLU D 4 333 ? 5.675 -32.151 -71.650 1.00 51.57 ? 343 GLU D N 1 ? ? +16274 ATOM C CA . GLU D 4 333 ? 7.124 -32.110 -71.525 1.00 51.35 ? 343 GLU D CA 1 ? ? +16275 ATOM C CB . GLU D 4 333 ? 7.812 -32.346 -72.856 1.00 52.41 ? 343 GLU D CB 1 ? ? +16276 ATOM C CG . GLU D 4 333 ? 7.603 -33.733 -73.375 1.00 53.46 ? 343 GLU D CG 1 ? ? +16277 ATOM C CD . GLU D 4 333 ? 8.532 -34.075 -74.511 1.00 54.78 ? 343 GLU D CD 1 ? ? +16278 ATOM O OE1 . GLU D 4 333 ? 9.748 -33.761 -74.406 1.00 55.60 ? 343 GLU D OE1 1 ? ? +16279 ATOM O OE2 . GLU D 4 333 ? 8.049 -34.701 -75.485 1.00 55.89 ? 343 GLU D OE2 1 ? ? +16280 ATOM C C . GLU D 4 333 ? 7.596 -30.763 -71.003 1.00 50.27 ? 343 GLU D C 1 ? ? +16281 ATOM O O . GLU D 4 333 ? 8.382 -30.725 -70.078 1.00 50.03 ? 343 GLU D O 1 ? ? +16282 ATOM N N . GLU D 4 334 ? 7.067 -29.679 -71.571 1.00 49.76 ? 344 GLU D N 1 ? ? +16283 ATOM C CA . GLU D 4 334 ? 7.526 -28.332 -71.290 1.00 49.02 ? 344 GLU D CA 1 ? ? +16284 ATOM C CB . GLU D 4 334 ? 6.848 -27.341 -72.254 1.00 49.41 ? 344 GLU D CB 1 ? ? +16285 ATOM C CG . GLU D 4 334 ? 5.331 -27.205 -72.056 1.00 49.50 ? 344 GLU D CG 1 ? ? +16286 ATOM C CD . GLU D 4 334 ? 4.637 -26.521 -73.207 1.00 49.95 ? 344 GLU D CD 1 ? ? +16287 ATOM O OE1 . GLU D 4 334 ? 4.631 -27.098 -74.316 1.00 50.28 ? 344 GLU D OE1 1 ? ? +16288 ATOM O OE2 . GLU D 4 334 ? 4.131 -25.394 -73.012 1.00 49.92 ? 344 GLU D OE2 1 ? ? +16289 ATOM C C . GLU D 4 334 ? 7.319 -27.824 -69.867 1.00 48.15 ? 344 GLU D C 1 ? ? +16290 ATOM O O . GLU D 4 334 ? 7.867 -26.784 -69.528 1.00 48.05 ? 344 GLU D O 1 ? ? +16291 ATOM N N . VAL D 4 335 ? 6.539 -28.519 -69.034 1.00 47.59 ? 345 VAL D N 1 ? ? +16292 ATOM C CA . VAL D 4 335 ? 6.324 -28.098 -67.654 1.00 46.87 ? 345 VAL D CA 1 ? ? +16293 ATOM C CB . VAL D 4 335 ? 4.832 -28.210 -67.159 1.00 46.92 ? 345 VAL D CB 1 ? ? +16294 ATOM C CG1 . VAL D 4 335 ? 3.864 -27.648 -68.177 1.00 47.45 ? 345 VAL D CG1 1 ? ? +16295 ATOM C CG2 . VAL D 4 335 ? 4.444 -29.632 -66.823 1.00 46.88 ? 345 VAL D CG2 1 ? ? +16296 ATOM C C . VAL D 4 335 ? 7.198 -28.891 -66.691 1.00 46.18 ? 345 VAL D C 1 ? ? +16297 ATOM O O . VAL D 4 335 ? 7.299 -28.530 -65.532 1.00 45.77 ? 345 VAL D O 1 ? ? +16298 ATOM N N . LEU D 4 336 ? 7.750 -30.016 -67.137 1.00 46.11 ? 346 LEU D N 1 ? ? +16299 ATOM C CA . LEU D 4 336 ? 8.607 -30.812 -66.276 1.00 45.77 ? 346 LEU D CA 1 ? ? +16300 ATOM C CB . LEU D 4 336 ? 9.046 -32.109 -66.966 1.00 45.99 ? 346 LEU D CB 1 ? ? +16301 ATOM C CG . LEU D 4 336 ? 7.954 -33.155 -67.142 1.00 46.23 ? 346 LEU D CG 1 ? ? +16302 ATOM C CD1 . LEU D 4 336 ? 8.472 -34.350 -67.877 1.00 46.47 ? 346 LEU D CD1 1 ? ? +16303 ATOM C CD2 . LEU D 4 336 ? 7.403 -33.594 -65.808 1.00 45.91 ? 346 LEU D CD2 1 ? ? +16304 ATOM C C . LEU D 4 336 ? 9.848 -30.013 -65.881 1.00 45.44 ? 346 LEU D C 1 ? ? +16305 ATOM O O . LEU D 4 336 ? 10.521 -29.453 -66.746 1.00 45.58 ? 346 LEU D O 1 ? ? +16306 ATOM N N A PRO D 4 337 ? 10.163 -29.901 -64.569 0.40 44.98 ? 347 PRO D N 1 ? ? +16307 ATOM N N B PRO D 4 337 ? 10.158 -29.897 -64.569 0.60 45.01 ? 347 PRO D N 1 ? ? +16308 ATOM C CA A PRO D 4 337 ? 11.400 -29.259 -64.137 0.40 44.73 ? 347 PRO D CA 1 ? ? +16309 ATOM C CA B PRO D 4 337 ? 11.387 -29.243 -64.135 0.60 44.76 ? 347 PRO D CA 1 ? ? +16310 ATOM C C A PRO D 4 337 ? 12.606 -30.121 -64.481 0.40 44.73 ? 347 PRO D C 1 ? ? +16311 ATOM C C B PRO D 4 337 ? 12.598 -30.102 -64.472 0.60 44.77 ? 347 PRO D C 1 ? ? +16312 ATOM O O A PRO D 4 337 ? 12.644 -31.296 -64.128 0.40 44.64 ? 347 PRO D O 1 ? ? +16313 ATOM O O B PRO D 4 337 ? 12.637 -31.275 -64.119 0.60 44.66 ? 347 PRO D O 1 ? ? +16314 ATOM C CB A PRO D 4 337 ? 11.218 -29.120 -62.628 0.40 44.34 ? 347 PRO D CB 1 ? ? +16315 ATOM C CB B PRO D 4 337 ? 11.182 -29.080 -62.631 0.60 44.38 ? 347 PRO D CB 1 ? ? +16316 ATOM C CG A PRO D 4 337 ? 10.262 -30.213 -62.261 0.40 44.36 ? 347 PRO D CG 1 ? ? +16317 ATOM C CG B PRO D 4 337 ? 10.226 -30.166 -62.258 0.60 44.40 ? 347 PRO D CG 1 ? ? +16318 ATOM C CD A PRO D 4 337 ? 9.342 -30.368 -63.438 0.40 44.75 ? 347 PRO D CD 1 ? ? +16319 ATOM C CD B PRO D 4 337 ? 9.332 -30.362 -63.439 0.60 44.78 ? 347 PRO D CD 1 ? ? +16320 ATOM N N A ARG D 4 338 ? 13.569 -29.511 -65.178 0.40 44.86 ? 348 ARG D N 1 ? ? +16321 ATOM N N B ARG D 4 338 ? 13.564 -29.493 -65.168 0.60 44.91 ? 348 ARG D N 1 ? ? +16322 ATOM C CA A ARG D 4 338 ? 14.819 -30.164 -65.530 0.40 44.93 ? 348 ARG D CA 1 ? ? +16323 ATOM C CA B ARG D 4 338 ? 14.811 -30.145 -65.537 0.60 44.98 ? 348 ARG D CA 1 ? ? +16324 ATOM C C A ARG D 4 338 ? 15.962 -29.163 -65.448 0.40 44.80 ? 348 ARG D C 1 ? ? +16325 ATOM C C B ARG D 4 338 ? 15.955 -29.143 -65.489 0.60 44.84 ? 348 ARG D C 1 ? ? +16326 ATOM O O A ARG D 4 338 ? 15.784 -27.989 -65.759 0.40 44.88 ? 348 ARG D O 1 ? ? +16327 ATOM O O B ARG D 4 338 ? 15.782 -27.988 -65.867 0.60 44.96 ? 348 ARG D O 1 ? ? +16328 ATOM C CB A ARG D 4 338 ? 14.762 -30.715 -66.956 0.40 45.41 ? 348 ARG D CB 1 ? ? +16329 ATOM C CB B ARG D 4 338 ? 14.732 -30.695 -66.963 0.60 45.47 ? 348 ARG D CB 1 ? ? +16330 ATOM C CG A ARG D 4 338 ? 13.556 -31.574 -67.230 0.40 45.58 ? 348 ARG D CG 1 ? ? +16331 ATOM C CG B ARG D 4 338 ? 13.546 -31.580 -67.209 0.60 45.64 ? 348 ARG D CG 1 ? ? +16332 ATOM C CD A ARG D 4 338 ? 13.463 -31.979 -68.686 0.40 46.08 ? 348 ARG D CD 1 ? ? +16333 ATOM C CD B ARG D 4 338 ? 13.424 -31.979 -68.658 0.60 46.15 ? 348 ARG D CD 1 ? ? +16334 ATOM N NE A ARG D 4 338 ? 14.436 -33.006 -69.042 0.40 46.23 ? 348 ARG D NE 1 ? ? +16335 ATOM N NE B ARG D 4 338 ? 14.423 -32.969 -69.048 0.60 46.31 ? 348 ARG D NE 1 ? ? +16336 ATOM C CZ A ARG D 4 338 ? 14.351 -33.761 -70.128 0.40 46.64 ? 348 ARG D CZ 1 ? ? +16337 ATOM C CZ B ARG D 4 338 ? 14.325 -33.737 -70.125 0.60 46.73 ? 348 ARG D CZ 1 ? ? +16338 ATOM N NH1 A ARG D 4 338 ? 13.360 -33.619 -70.992 0.40 46.97 ? 348 ARG D NH1 1 ? ? +16339 ATOM N NH1 B ARG D 4 338 ? 13.330 -33.599 -70.986 0.60 47.08 ? 348 ARG D NH1 1 ? ? +16340 ATOM N NH2 A ARG D 4 338 ? 15.270 -34.697 -70.342 0.40 46.75 ? 348 ARG D NH2 1 ? ? +16341 ATOM N NH2 B ARG D 4 338 ? 15.231 -34.686 -70.329 0.60 46.84 ? 348 ARG D NH2 1 ? ? +16342 ATOM N N A GLY D 4 339 ? 17.139 -29.643 -65.044 0.40 44.63 ? 349 GLY D N 1 ? ? +16343 ATOM N N B GLY D 4 339 ? 17.132 -29.607 -65.066 0.60 44.65 ? 349 GLY D N 1 ? ? +16344 ATOM C CA A GLY D 4 339 ? 18.359 -28.862 -65.165 0.40 44.61 ? 349 GLY D CA 1 ? ? +16345 ATOM C CA B GLY D 4 339 ? 18.348 -28.820 -65.190 0.60 44.60 ? 349 GLY D CA 1 ? ? +16346 ATOM C C A GLY D 4 339 ? 18.818 -28.871 -66.618 0.40 44.99 ? 349 GLY D C 1 ? ? +16347 ATOM C C B GLY D 4 339 ? 18.780 -28.773 -66.649 0.60 44.96 ? 349 GLY D C 1 ? ? +16348 ATOM O O A GLY D 4 339 ? 18.163 -29.458 -67.474 0.40 45.23 ? 349 GLY D O 1 ? ? +16349 ATOM O O B GLY D 4 339 ? 18.092 -29.293 -67.524 0.60 45.21 ? 349 GLY D O 1 ? ? +16350 ATOM N N A ASN D 4 340 ? 19.954 -28.225 -66.886 0.40 45.06 ? 350 ASN D N 1 ? ? +16351 ATOM N N B ASN D 4 340 ? 19.939 -28.160 -66.896 0.60 45.02 ? 350 ASN D N 1 ? ? +16352 ATOM C CA A ASN D 4 340 ? 20.468 -28.148 -68.237 0.40 45.44 ? 350 ASN D CA 1 ? ? +16353 ATOM C CA B ASN D 4 340 ? 20.484 -28.074 -68.235 0.60 45.38 ? 350 ASN D CA 1 ? ? +16354 ATOM C C A ASN D 4 340 ? 20.842 -29.552 -68.694 0.40 45.56 ? 350 ASN D C 1 ? ? +16355 ATOM C C B ASN D 4 340 ? 20.884 -29.477 -68.677 0.60 45.50 ? 350 ASN D C 1 ? ? +16356 ATOM O O A ASN D 4 340 ? 21.317 -30.358 -67.900 0.40 45.36 ? 350 ASN D O 1 ? ? +16357 ATOM O O B ASN D 4 340 ? 21.369 -30.266 -67.869 0.60 45.29 ? 350 ASN D O 1 ? ? +16358 ATOM C CB A ASN D 4 340 ? 21.641 -27.197 -68.292 0.40 45.56 ? 350 ASN D CB 1 ? ? +16359 ATOM C CB B ASN D 4 340 ? 21.641 -27.102 -68.238 0.60 45.49 ? 350 ASN D CB 1 ? ? +16360 ATOM C CG A ASN D 4 340 ? 22.046 -26.835 -69.685 0.40 46.06 ? 350 ASN D CG 1 ? ? +16361 ATOM C CG B ASN D 4 340 ? 22.068 -26.662 -69.602 0.60 45.97 ? 350 ASN D CG 1 ? ? +16362 ATOM O OD1 A ASN D 4 340 ? 21.231 -26.378 -70.486 0.40 46.26 ? 350 ASN D OD1 1 ? ? +16363 ATOM O OD1 B ASN D 4 340 ? 21.285 -26.079 -70.350 0.60 46.16 ? 350 ASN D OD1 1 ? ? +16364 ATOM N ND2 A ASN D 4 340 ? 23.321 -27.037 -70.005 0.40 46.30 ? 350 ASN D ND2 1 ? ? +16365 ATOM N ND2 B ASN D 4 340 ? 23.332 -26.922 -69.953 0.60 46.22 ? 350 ASN D ND2 1 ? ? +16366 ATOM N N A ALA D 4 341 ? 20.563 -29.838 -69.970 0.40 45.93 ? 351 ALA D N 1 ? ? +16367 ATOM N N B ALA D 4 341 ? 20.605 -29.786 -69.949 0.60 45.86 ? 351 ALA D N 1 ? ? +16368 ATOM C CA A ALA D 4 341 ? 21.042 -31.032 -70.647 0.40 46.18 ? 351 ALA D CA 1 ? ? +16369 ATOM C CA B ALA D 4 341 ? 21.084 -30.985 -70.626 0.60 46.13 ? 351 ALA D CA 1 ? ? +16370 ATOM C C A ALA D 4 341 ? 20.318 -32.319 -70.255 0.40 46.00 ? 351 ALA D C 1 ? ? +16371 ATOM C C B ALA D 4 341 ? 20.357 -32.272 -70.242 0.60 45.94 ? 351 ALA D C 1 ? ? +16372 ATOM O O A ALA D 4 341 ? 19.912 -33.090 -71.121 0.40 46.30 ? 351 ALA D O 1 ? ? +16373 ATOM O O B ALA D 4 341 ? 19.965 -33.041 -71.116 0.60 46.25 ? 351 ALA D O 1 ? ? +16374 ATOM C CB A ALA D 4 341 ? 22.542 -31.194 -70.414 0.40 46.23 ? 351 ALA D CB 1 ? ? +16375 ATOM C CB B ALA D 4 341 ? 22.594 -31.153 -70.421 0.60 46.20 ? 351 ALA D CB 1 ? ? +16376 ATOM N N A LEU D 4 342 ? 20.188 -32.567 -68.951 0.40 45.56 ? 352 LEU D N 1 ? ? +16377 ATOM N N B LEU D 4 342 ? 20.215 -32.531 -68.941 0.60 45.49 ? 352 LEU D N 1 ? ? +16378 ATOM C CA A LEU D 4 342 ? 19.618 -33.817 -68.478 0.40 45.43 ? 352 LEU D CA 1 ? ? +16379 ATOM C CA B LEU D 4 342 ? 19.585 -33.756 -68.481 0.60 45.35 ? 352 LEU D CA 1 ? ? +16380 ATOM C C A LEU D 4 342 ? 18.089 -33.875 -68.693 0.40 45.41 ? 352 LEU D C 1 ? ? +16381 ATOM C C B LEU D 4 342 ? 18.038 -33.730 -68.642 0.60 45.32 ? 352 LEU D C 1 ? ? +16382 ATOM O O A LEU D 4 342 ? 17.552 -34.963 -68.818 0.40 45.48 ? 352 LEU D O 1 ? ? +16383 ATOM O O B LEU D 4 342 ? 17.427 -34.773 -68.540 0.60 45.32 ? 352 LEU D O 1 ? ? +16384 ATOM C CB A LEU D 4 342 ? 19.937 -34.017 -66.996 0.40 45.02 ? 352 LEU D CB 1 ? ? +16385 ATOM C CB B LEU D 4 342 ? 19.932 -34.004 -67.011 0.60 44.95 ? 352 LEU D CB 1 ? ? +16386 ATOM C CG A LEU D 4 342 ? 21.405 -34.102 -66.647 0.40 45.04 ? 352 LEU D CG 1 ? ? +16387 ATOM C CG B LEU D 4 342 ? 21.398 -34.151 -66.659 0.60 44.96 ? 352 LEU D CG 1 ? ? +16388 ATOM C CD1 A LEU D 4 342 ? 21.590 -34.608 -65.244 0.40 44.69 ? 352 LEU D CD1 1 ? ? +16389 ATOM C CD1 B LEU D 4 342 ? 21.546 -34.702 -65.275 0.60 44.62 ? 352 LEU D CD1 1 ? ? +16390 ATOM C CD2 A LEU D 4 342 ? 22.148 -34.986 -67.620 0.40 45.43 ? 352 LEU D CD2 1 ? ? +16391 ATOM C CD2 B LEU D 4 342 ? 22.136 -35.041 -67.637 0.60 45.36 ? 352 LEU D CD2 1 ? ? +16392 ATOM O OXT A LEU D 4 342 ? 17.407 -32.854 -68.732 0.40 45.32 ? 352 LEU D OXT 1 ? ? +16393 ATOM O OXT B LEU D 4 342 ? 17.419 -32.692 -68.855 0.60 45.27 ? 352 LEU D OXT 1 ? ? +16394 ATOM N N . THR E 5 1 ? 13.406 -81.307 -22.476 1.00 87.61 ? 4 THR E N 1 ? ? +16395 ATOM C CA . THR E 5 1 ? 12.447 -81.851 -23.449 1.00 88.54 ? 4 THR E CA 1 ? ? +16396 ATOM C CB . THR E 5 1 ? 12.649 -83.359 -23.645 1.00 91.03 ? 4 THR E CB 1 ? ? +16397 ATOM O OG1 . THR E 5 1 ? 11.822 -83.782 -24.732 1.00 92.82 ? 4 THR E OG1 1 ? ? +16398 ATOM C CG2 . THR E 5 1 ? 12.307 -84.194 -22.375 1.00 91.90 ? 4 THR E CG2 1 ? ? +16399 ATOM C C . THR E 5 1 ? 10.983 -81.623 -23.071 1.00 86.72 ? 4 THR E C 1 ? ? +16400 ATOM O O . THR E 5 1 ? 10.632 -81.639 -21.894 1.00 85.81 ? 4 THR E O 1 ? ? +16401 ATOM N N . THR E 5 2 ? 10.133 -81.466 -24.094 1.00 85.34 ? 5 THR E N 1 ? ? +16402 ATOM C CA . THR E 5 2 ? 8.715 -81.190 -23.909 1.00 84.86 ? 5 THR E CA 1 ? ? +16403 ATOM C CB . THR E 5 2 ? 8.276 -80.107 -24.898 1.00 83.94 ? 5 THR E CB 1 ? ? +16404 ATOM O OG1 . THR E 5 2 ? 8.829 -80.405 -26.185 1.00 84.36 ? 5 THR E OG1 1 ? ? +16405 ATOM C CG2 . THR E 5 2 ? 8.718 -78.723 -24.475 1.00 83.33 ? 5 THR E CG2 1 ? ? +16406 ATOM C C . THR E 5 2 ? 7.814 -82.418 -24.045 1.00 85.06 ? 5 THR E C 1 ? ? +16407 ATOM O O . THR E 5 2 ? 6.635 -82.344 -23.711 1.00 85.30 ? 5 THR E O 1 ? ? +16408 ATOM N N . GLY E 5 3 ? 8.361 -83.540 -24.539 1.00 84.30 ? 6 GLY E N 1 ? ? +16409 ATOM C CA . GLY E 5 3 ? 7.609 -84.782 -24.631 1.00 83.75 ? 6 GLY E CA 1 ? ? +16410 ATOM C C . GLY E 5 3 ? 7.340 -85.273 -26.052 1.00 82.92 ? 6 GLY E C 1 ? ? +16411 ATOM O O . GLY E 5 3 ? 7.030 -86.445 -26.248 1.00 83.44 ? 6 GLY E O 1 ? ? +16412 ATOM N N . GLU E 5 4 ? 7.461 -84.375 -27.038 1.00 81.54 ? 7 GLU E N 1 ? ? +16413 ATOM C CA . GLU E 5 4 ? 7.319 -84.738 -28.441 1.00 80.87 ? 7 GLU E CA 1 ? ? +16414 ATOM C CB . GLU E 5 4 ? 7.137 -83.491 -29.349 1.00 79.93 ? 7 GLU E CB 1 ? ? +16415 ATOM C CG . GLU E 5 4 ? 5.913 -82.619 -29.084 1.00 79.34 ? 7 GLU E CG 1 ? ? +16416 ATOM C CD . GLU E 5 4 ? 6.097 -81.473 -28.105 1.00 78.57 ? 7 GLU E CD 1 ? ? +16417 ATOM O OE1 . GLU E 5 4 ? 7.228 -81.297 -27.601 1.00 77.93 ? 7 GLU E OE1 1 ? ? +16418 ATOM O OE2 . GLU E 5 4 ? 5.106 -80.754 -27.841 1.00 79.19 ? 7 GLU E OE2 1 ? ? +16419 ATOM C C . GLU E 5 4 ? 8.561 -85.504 -28.887 1.00 80.27 ? 7 GLU E C 1 ? ? +16420 ATOM O O . GLU E 5 4 ? 9.619 -85.377 -28.271 1.00 80.50 ? 7 GLU E O 1 ? ? +16421 ATOM N N . ARG E 5 5 ? 8.422 -86.291 -29.961 1.00 79.51 ? 8 ARG E N 1 ? ? +16422 ATOM C CA . ARG E 5 5 ? 9.528 -87.045 -30.525 1.00 78.80 ? 8 ARG E CA 1 ? ? +16423 ATOM C CB . ARG E 5 5 ? 8.978 -88.066 -31.529 1.00 79.88 ? 8 ARG E CB 1 ? ? +16424 ATOM C CG . ARG E 5 5 ? 9.988 -89.079 -32.071 1.00 80.73 ? 8 ARG E CG 1 ? ? +16425 ATOM C CD . ARG E 5 5 ? 9.280 -90.074 -32.976 1.00 81.57 ? 8 ARG E CD 1 ? ? +16426 ATOM N NE . ARG E 5 5 ? 10.204 -90.947 -33.689 1.00 81.84 ? 8 ARG E NE 1 ? ? +16427 ATOM C CZ . ARG E 5 5 ? 9.917 -91.585 -34.816 1.00 82.23 ? 8 ARG E CZ 1 ? ? +16428 ATOM N NH1 . ARG E 5 5 ? 8.746 -91.445 -35.414 1.00 82.25 ? 8 ARG E NH1 1 ? ? +16429 ATOM N NH2 . ARG E 5 5 ? 10.836 -92.370 -35.370 1.00 83.01 ? 8 ARG E NH2 1 ? ? +16430 ATOM C C . ARG E 5 5 ? 10.524 -86.097 -31.192 1.00 76.75 ? 8 ARG E C 1 ? ? +16431 ATOM O O . ARG E 5 5 ? 10.122 -85.170 -31.892 1.00 75.90 ? 8 ARG E O 1 ? ? +16432 ATOM N N . PRO E 5 6 ? 11.852 -86.274 -30.999 1.00 76.17 ? 9 PRO E N 1 ? ? +16433 ATOM C CA . PRO E 5 6 ? 12.840 -85.408 -31.649 1.00 75.43 ? 9 PRO E CA 1 ? ? +16434 ATOM C CB . PRO E 5 6 ? 14.175 -85.996 -31.173 1.00 75.45 ? 9 PRO E CB 1 ? ? +16435 ATOM C CG . PRO E 5 6 ? 13.843 -86.752 -29.917 1.00 76.22 ? 9 PRO E CG 1 ? ? +16436 ATOM C CD . PRO E 5 6 ? 12.469 -87.292 -30.130 1.00 76.84 ? 9 PRO E CD 1 ? ? +16437 ATOM C C . PRO E 5 6 ? 12.763 -85.394 -33.176 1.00 75.37 ? 9 PRO E C 1 ? ? +16438 ATOM O O . PRO E 5 6 ? 12.565 -86.435 -33.787 1.00 75.75 ? 9 PRO E O 1 ? ? +16439 ATOM N N . PHE E 5 7 ? 12.931 -84.217 -33.794 1.00 75.21 ? 10 PHE E N 1 ? ? +16440 ATOM C CA . PHE E 5 7 ? 12.874 -84.108 -35.246 1.00 75.56 ? 10 PHE E CA 1 ? ? +16441 ATOM C CB . PHE E 5 7 ? 13.068 -82.649 -35.717 1.00 74.85 ? 10 PHE E CB 1 ? ? +16442 ATOM C CG . PHE E 5 7 ? 11.825 -81.790 -35.608 1.00 75.07 ? 10 PHE E CG 1 ? ? +16443 ATOM C CD1 . PHE E 5 7 ? 10.725 -82.009 -36.444 1.00 75.01 ? 10 PHE E CD1 1 ? ? +16444 ATOM C CD2 . PHE E 5 7 ? 11.743 -80.776 -34.666 1.00 74.68 ? 10 PHE E CD2 1 ? ? +16445 ATOM C CE1 . PHE E 5 7 ? 9.584 -81.232 -36.335 1.00 74.10 ? 10 PHE E CE1 1 ? ? +16446 ATOM C CE2 . PHE E 5 7 ? 10.591 -79.994 -34.565 1.00 73.99 ? 10 PHE E CE2 1 ? ? +16447 ATOM C CZ . PHE E 5 7 ? 9.521 -80.231 -35.399 1.00 73.79 ? 10 PHE E CZ 1 ? ? +16448 ATOM C C . PHE E 5 7 ? 13.900 -85.000 -35.942 1.00 76.13 ? 10 PHE E C 1 ? ? +16449 ATOM O O . PHE E 5 7 ? 13.588 -85.630 -36.950 1.00 76.88 ? 10 PHE E O 1 ? ? +16450 ATOM N N . SER E 5 8 ? 15.116 -85.044 -35.385 1.00 76.19 ? 11 SER E N 1 ? ? +16451 ATOM C CA . SER E 5 8 ? 16.211 -85.810 -35.961 1.00 76.73 ? 11 SER E CA 1 ? ? +16452 ATOM C CB . SER E 5 8 ? 17.505 -85.545 -35.191 1.00 76.53 ? 11 SER E CB 1 ? ? +16453 ATOM O OG . SER E 5 8 ? 17.319 -85.806 -33.809 1.00 77.10 ? 11 SER E OG 1 ? ? +16454 ATOM C C . SER E 5 8 ? 15.906 -87.307 -36.006 1.00 77.35 ? 11 SER E C 1 ? ? +16455 ATOM O O . SER E 5 8 ? 16.277 -87.992 -36.949 1.00 77.20 ? 11 SER E O 1 ? ? +16456 ATOM N N . ASP E 5 9 ? 15.224 -87.808 -34.976 1.00 78.46 ? 12 ASP E N 1 ? ? +16457 ATOM C CA . ASP E 5 9 ? 14.721 -89.171 -34.962 1.00 80.09 ? 12 ASP E CA 1 ? ? +16458 ATOM C CB . ASP E 5 9 ? 14.148 -89.463 -33.557 1.00 82.15 ? 12 ASP E CB 1 ? ? +16459 ATOM C CG . ASP E 5 9 ? 13.657 -90.860 -33.243 1.00 85.45 ? 12 ASP E CG 1 ? ? +16460 ATOM O OD1 . ASP E 5 9 ? 12.900 -91.426 -34.062 1.00 86.79 ? 12 ASP E OD1 1 ? ? +16461 ATOM O OD2 . ASP E 5 9 ? 13.967 -91.363 -32.136 1.00 88.39 ? 12 ASP E OD2 1 ? ? +16462 ATOM C C . ASP E 5 9 ? 13.680 -89.382 -36.064 1.00 79.24 ? 12 ASP E C 1 ? ? +16463 ATOM O O . ASP E 5 9 ? 13.717 -90.401 -36.751 1.00 80.75 ? 12 ASP E O 1 ? ? +16464 ATOM N N . ILE E 5 10 ? 12.760 -88.418 -36.238 1.00 77.22 ? 13 ILE E N 1 ? ? +16465 ATOM C CA . ILE E 5 10 ? 11.671 -88.558 -37.197 1.00 76.39 ? 13 ILE E CA 1 ? ? +16466 ATOM C CB . ILE E 5 10 ? 10.578 -87.460 -37.006 1.00 75.45 ? 13 ILE E CB 1 ? ? +16467 ATOM C CG1 . ILE E 5 10 ? 9.871 -87.577 -35.639 1.00 75.52 ? 13 ILE E CG1 1 ? ? +16468 ATOM C CG2 . ILE E 5 10 ? 9.555 -87.513 -38.129 1.00 75.52 ? 13 ILE E CG2 1 ? ? +16469 ATOM C CD1 . ILE E 5 10 ? 9.002 -86.387 -35.255 1.00 74.54 ? 13 ILE E CD1 1 ? ? +16470 ATOM C C . ILE E 5 10 ? 12.178 -88.564 -38.639 1.00 75.78 ? 13 ILE E C 1 ? ? +16471 ATOM O O . ILE E 5 10 ? 11.865 -89.475 -39.405 1.00 75.87 ? 13 ILE E O 1 ? ? +16472 ATOM N N . ILE E 5 11 ? 12.967 -87.540 -38.998 1.00 74.91 ? 14 ILE E N 1 ? ? +16473 ATOM C CA . ILE E 5 11 ? 13.362 -87.333 -40.382 1.00 74.77 ? 14 ILE E CA 1 ? ? +16474 ATOM C CB . ILE E 5 11 ? 13.809 -85.860 -40.659 1.00 73.63 ? 14 ILE E CB 1 ? ? +16475 ATOM C CG1 . ILE E 5 11 ? 15.147 -85.507 -39.987 1.00 73.48 ? 14 ILE E CG1 1 ? ? +16476 ATOM C CG2 . ILE E 5 11 ? 12.735 -84.855 -40.262 1.00 72.86 ? 14 ILE E CG2 1 ? ? +16477 ATOM C CD1 . ILE E 5 11 ? 15.768 -84.229 -40.556 1.00 72.54 ? 14 ILE E CD1 1 ? ? +16478 ATOM C C . ILE E 5 11 ? 14.444 -88.307 -40.848 1.00 75.42 ? 14 ILE E C 1 ? ? +16479 ATOM O O . ILE E 5 11 ? 14.800 -88.289 -42.023 1.00 75.67 ? 14 ILE E O 1 ? ? +16480 ATOM N N . THR E 5 12 ? 14.980 -89.127 -39.932 1.00 75.68 ? 15 THR E N 1 ? ? +16481 ATOM C CA . THR E 5 12 ? 15.892 -90.206 -40.287 1.00 75.78 ? 15 THR E CA 1 ? ? +16482 ATOM C CB . THR E 5 12 ? 17.135 -90.179 -39.389 1.00 75.64 ? 15 THR E CB 1 ? ? +16483 ATOM O OG1 . THR E 5 12 ? 16.724 -90.263 -38.022 1.00 75.64 ? 15 THR E OG1 1 ? ? +16484 ATOM C CG2 . THR E 5 12 ? 17.972 -88.942 -39.615 1.00 74.83 ? 15 THR E CG2 1 ? ? +16485 ATOM C C . THR E 5 12 ? 15.228 -91.580 -40.219 1.00 76.60 ? 15 THR E C 1 ? ? +16486 ATOM O O . THR E 5 12 ? 15.890 -92.596 -40.424 1.00 77.40 ? 15 THR E O 1 ? ? +16487 ATOM N N . SER E 5 13 ? 13.920 -91.607 -39.938 1.00 76.60 ? 16 SER E N 1 ? ? +16488 ATOM C CA . SER E 5 13 ? 13.162 -92.847 -39.936 1.00 77.36 ? 16 SER E CA 1 ? ? +16489 ATOM C CB . SER E 5 13 ? 11.975 -92.751 -38.991 1.00 77.22 ? 16 SER E CB 1 ? ? +16490 ATOM O OG . SER E 5 13 ? 10.926 -92.012 -39.580 1.00 76.92 ? 16 SER E OG 1 ? ? +16491 ATOM C C . SER E 5 13 ? 12.696 -93.188 -41.350 1.00 77.78 ? 16 SER E C 1 ? ? +16492 ATOM O O . SER E 5 13 ? 12.429 -92.298 -42.150 1.00 77.18 ? 16 SER E O 1 ? ? +16493 ATOM N N . VAL E 5 14 ? 12.603 -94.484 -41.646 1.00 79.50 ? 17 VAL E N 1 ? ? +16494 ATOM C CA . VAL E 5 14 ? 12.162 -94.943 -42.953 1.00 80.36 ? 17 VAL E CA 1 ? ? +16495 ATOM C CB . VAL E 5 14 ? 12.410 -96.467 -43.141 1.00 82.01 ? 17 VAL E CB 1 ? ? +16496 ATOM C CG1 . VAL E 5 14 ? 12.220 -96.886 -44.600 1.00 82.30 ? 17 VAL E CG1 1 ? ? +16497 ATOM C CG2 . VAL E 5 14 ? 13.792 -96.872 -42.642 1.00 82.45 ? 17 VAL E CG2 1 ? ? +16498 ATOM C C . VAL E 5 14 ? 10.683 -94.611 -43.154 1.00 80.23 ? 17 VAL E C 1 ? ? +16499 ATOM O O . VAL E 5 14 ? 10.273 -94.226 -44.244 1.00 80.01 ? 17 VAL E O 1 ? ? +16500 ATOM N N . ARG E 5 15 ? 9.887 -94.754 -42.090 1.00 80.02 ? 18 ARG E N 1 ? ? +16501 ATOM C CA . ARG E 5 15 ? 8.451 -94.553 -42.170 1.00 79.68 ? 18 ARG E CA 1 ? ? +16502 ATOM C CB . ARG E 5 15 ? 7.775 -94.865 -40.831 1.00 79.85 ? 18 ARG E CB 1 ? ? +16503 ATOM C CG . ARG E 5 15 ? 6.270 -94.866 -40.895 1.00 80.05 ? 18 ARG E CG 1 ? ? +16504 ATOM C CD . ARG E 5 15 ? 5.676 -95.154 -39.538 1.00 80.64 ? 18 ARG E CD 1 ? ? +16505 ATOM N NE . ARG E 5 15 ? 5.901 -94.056 -38.604 1.00 80.09 ? 18 ARG E NE 1 ? ? +16506 ATOM C CZ . ARG E 5 15 ? 5.470 -94.034 -37.349 1.00 80.28 ? 18 ARG E CZ 1 ? ? +16507 ATOM N NH1 . ARG E 5 15 ? 5.004 -95.121 -36.759 1.00 81.52 ? 18 ARG E NH1 1 ? ? +16508 ATOM N NH2 . ARG E 5 15 ? 5.512 -92.894 -36.666 1.00 79.50 ? 18 ARG E NH2 1 ? ? +16509 ATOM C C . ARG E 5 15 ? 8.151 -93.119 -42.589 1.00 78.81 ? 18 ARG E C 1 ? ? +16510 ATOM O O . ARG E 5 15 ? 7.262 -92.889 -43.405 1.00 79.42 ? 18 ARG E O 1 ? ? +16511 ATOM N N . TYR E 5 16 ? 8.902 -92.162 -42.029 1.00 77.59 ? 19 TYR E N 1 ? ? +16512 ATOM C CA . TYR E 5 16 ? 8.756 -90.766 -42.406 1.00 76.52 ? 19 TYR E CA 1 ? ? +16513 ATOM C CB . TYR E 5 16 ? 9.807 -89.878 -41.716 1.00 75.22 ? 19 TYR E CB 1 ? ? +16514 ATOM C CG . TYR E 5 16 ? 9.746 -88.442 -42.177 1.00 73.60 ? 19 TYR E CG 1 ? ? +16515 ATOM C CD1 . TYR E 5 16 ? 8.753 -87.591 -41.723 1.00 72.93 ? 19 TYR E CD1 1 ? ? +16516 ATOM C CD2 . TYR E 5 16 ? 10.648 -87.949 -43.107 1.00 72.72 ? 19 TYR E CD2 1 ? ? +16517 ATOM C CE1 . TYR E 5 16 ? 8.682 -86.272 -42.149 1.00 71.79 ? 19 TYR E CE1 1 ? ? +16518 ATOM C CE2 . TYR E 5 16 ? 10.585 -86.632 -43.544 1.00 71.78 ? 19 TYR E CE2 1 ? ? +16519 ATOM C CZ . TYR E 5 16 ? 9.598 -85.796 -43.062 1.00 71.20 ? 19 TYR E CZ 1 ? ? +16520 ATOM O OH . TYR E 5 16 ? 9.518 -84.495 -43.488 1.00 70.17 ? 19 TYR E OH 1 ? ? +16521 ATOM C C . TYR E 5 16 ? 8.876 -90.605 -43.918 1.00 77.19 ? 19 TYR E C 1 ? ? +16522 ATOM O O . TYR E 5 16 ? 8.021 -89.993 -44.547 1.00 77.00 ? 19 TYR E O 1 ? ? +16523 ATOM N N . TRP E 5 17 ? 9.947 -91.165 -44.488 1.00 78.36 ? 20 TRP E N 1 ? ? +16524 ATOM C CA . TRP E 5 17 ? 10.258 -90.982 -45.895 1.00 78.79 ? 20 TRP E CA 1 ? ? +16525 ATOM C CB . TRP E 5 17 ? 11.733 -91.306 -46.173 1.00 79.43 ? 20 TRP E CB 1 ? ? +16526 ATOM C CG . TRP E 5 17 ? 12.633 -90.187 -45.771 1.00 79.55 ? 20 TRP E CG 1 ? ? +16527 ATOM C CD1 . TRP E 5 17 ? 13.507 -90.170 -44.732 1.00 79.64 ? 20 TRP E CD1 1 ? ? +16528 ATOM N NE1 . TRP E 5 17 ? 14.148 -88.954 -44.676 1.00 79.55 ? 20 TRP E NE1 1 ? ? +16529 ATOM C CE2 . TRP E 5 17 ? 13.680 -88.154 -45.684 1.00 79.67 ? 20 TRP E CE2 1 ? ? +16530 ATOM C CZ2 . TRP E 5 17 ? 14.015 -86.844 -46.033 1.00 79.53 ? 20 TRP E CZ2 1 ? ? +16531 ATOM C CH2 . TRP E 5 17 ? 13.364 -86.292 -47.113 1.00 79.95 ? 20 TRP E CH2 1 ? ? +16532 ATOM C CZ3 . TRP E 5 17 ? 12.396 -87.007 -47.832 1.00 79.97 ? 20 TRP E CZ3 1 ? ? +16533 ATOM C CE3 . TRP E 5 17 ? 12.066 -88.301 -47.485 1.00 80.44 ? 20 TRP E CE3 1 ? ? +16534 ATOM C CD2 . TRP E 5 17 ? 12.716 -88.898 -46.392 1.00 80.05 ? 20 TRP E CD2 1 ? ? +16535 ATOM C C . TRP E 5 17 ? 9.339 -91.775 -46.814 1.00 79.51 ? 20 TRP E C 1 ? ? +16536 ATOM O O . TRP E 5 17 ? 9.074 -91.332 -47.924 1.00 79.69 ? 20 TRP E O 1 ? ? +16537 ATOM N N . VAL E 5 18 ? 8.849 -92.932 -46.356 1.00 80.23 ? 21 VAL E N 1 ? ? +16538 ATOM C CA . VAL E 5 18 ? 7.835 -93.661 -47.099 1.00 80.67 ? 21 VAL E CA 1 ? ? +16539 ATOM C CB . VAL E 5 18 ? 7.437 -94.996 -46.408 1.00 81.60 ? 21 VAL E CB 1 ? ? +16540 ATOM C CG1 . VAL E 5 18 ? 6.072 -95.518 -46.878 1.00 81.94 ? 21 VAL E CG1 1 ? ? +16541 ATOM C CG2 . VAL E 5 18 ? 8.525 -96.048 -46.619 1.00 82.16 ? 21 VAL E CG2 1 ? ? +16542 ATOM C C . VAL E 5 18 ? 6.644 -92.733 -47.325 1.00 80.63 ? 21 VAL E C 1 ? ? +16543 ATOM O O . VAL E 5 18 ? 6.232 -92.532 -48.466 1.00 81.23 ? 21 VAL E O 1 ? ? +16544 ATOM N N . ILE E 5 19 ? 6.124 -92.155 -46.232 1.00 80.22 ? 22 ILE E N 1 ? ? +16545 ATOM C CA . ILE E 5 19 ? 4.978 -91.259 -46.285 1.00 79.33 ? 22 ILE E CA 1 ? ? +16546 ATOM C CB . ILE E 5 19 ? 4.578 -90.706 -44.877 1.00 79.24 ? 22 ILE E CB 1 ? ? +16547 ATOM C CG1 . ILE E 5 19 ? 4.338 -91.775 -43.801 1.00 80.06 ? 22 ILE E CG1 1 ? ? +16548 ATOM C CG2 . ILE E 5 19 ? 3.366 -89.761 -45.005 1.00 78.86 ? 22 ILE E CG2 1 ? ? +16549 ATOM C CD1 . ILE E 5 19 ? 3.355 -92.661 -44.055 1.00 81.20 ? 22 ILE E CD1 1 ? ? +16550 ATOM C C . ILE E 5 19 ? 5.281 -90.054 -47.172 1.00 77.95 ? 22 ILE E C 1 ? ? +16551 ATOM O O . ILE E 5 19 ? 4.538 -89.729 -48.095 1.00 77.71 ? 22 ILE E O 1 ? ? +16552 ATOM N N . HIS E 5 20 ? 6.398 -89.397 -46.857 1.00 77.19 ? 23 HIS E N 1 ? ? +16553 ATOM C CA . HIS E 5 20 ? 6.670 -88.045 -47.308 1.00 75.81 ? 23 HIS E CA 1 ? ? +16554 ATOM C CB . HIS E 5 20 ? 7.504 -87.346 -46.208 1.00 74.51 ? 23 HIS E CB 1 ? ? +16555 ATOM C CG . HIS E 5 20 ? 6.637 -86.777 -45.120 1.00 73.59 ? 23 HIS E CG 1 ? ? +16556 ATOM N ND1 . HIS E 5 20 ? 5.970 -85.618 -45.340 1.00 73.10 ? 23 HIS E ND1 1 ? ? +16557 ATOM C CE1 . HIS E 5 20 ? 5.298 -85.338 -44.235 1.00 72.82 ? 23 HIS E CE1 1 ? ? +16558 ATOM N NE2 . HIS E 5 20 ? 5.474 -86.244 -43.308 1.00 72.75 ? 23 HIS E NE2 1 ? ? +16559 ATOM C CD2 . HIS E 5 20 ? 6.349 -87.198 -43.858 1.00 73.28 ? 23 HIS E CD2 1 ? ? +16560 ATOM C C . HIS E 5 20 ? 7.294 -87.977 -48.703 1.00 76.03 ? 23 HIS E C 1 ? ? +16561 ATOM O O . HIS E 5 20 ? 7.251 -86.929 -49.342 1.00 75.78 ? 23 HIS E O 1 ? ? +16562 ATOM N N . SER E 5 21 ? 7.822 -89.106 -49.197 1.00 76.67 ? 24 SER E N 1 ? ? +16563 ATOM C CA . SER E 5 21 ? 8.283 -89.189 -50.575 1.00 76.42 ? 24 SER E CA 1 ? ? +16564 ATOM C CB . SER E 5 21 ? 9.165 -90.412 -50.809 1.00 77.20 ? 24 SER E CB 1 ? ? +16565 ATOM O OG . SER E 5 21 ? 8.407 -91.609 -50.719 1.00 78.65 ? 24 SER E OG 1 ? ? +16566 ATOM C C . SER E 5 21 ? 7.106 -89.209 -51.547 1.00 76.48 ? 24 SER E C 1 ? ? +16567 ATOM O O . SER E 5 21 ? 7.299 -88.943 -52.728 1.00 76.43 ? 24 SER E O 1 ? ? +16568 ATOM N N . ILE E 5 22 ? 5.904 -89.547 -51.050 1.00 76.56 ? 25 ILE E N 1 ? ? +16569 ATOM C CA . ILE E 5 22 ? 4.676 -89.378 -51.813 1.00 76.45 ? 25 ILE E CA 1 ? ? +16570 ATOM C CB . ILE E 5 22 ? 3.681 -90.515 -51.482 1.00 77.77 ? 25 ILE E CB 1 ? ? +16571 ATOM C CG1 . ILE E 5 22 ? 4.104 -91.828 -52.206 1.00 78.97 ? 25 ILE E CG1 1 ? ? +16572 ATOM C CG2 . ILE E 5 22 ? 2.225 -90.164 -51.866 1.00 77.79 ? 25 ILE E CG2 1 ? ? +16573 ATOM C CD1 . ILE E 5 22 ? 5.621 -92.304 -52.037 1.00 79.02 ? 25 ILE E CD1 1 ? ? +16574 ATOM C C . ILE E 5 22 ? 4.058 -87.992 -51.624 1.00 75.11 ? 25 ILE E C 1 ? ? +16575 ATOM O O . ILE E 5 22 ? 3.786 -87.314 -52.607 1.00 75.07 ? 25 ILE E O 1 ? ? +16576 ATOM N N . THR E 5 23 ? 3.840 -87.573 -50.370 1.00 73.95 ? 26 THR E N 1 ? ? +16577 ATOM C CA . THR E 5 23 ? 3.085 -86.358 -50.099 1.00 72.78 ? 26 THR E CA 1 ? ? +16578 ATOM C CB . THR E 5 23 ? 2.742 -86.219 -48.617 1.00 72.74 ? 26 THR E CB 1 ? ? +16579 ATOM O OG1 . THR E 5 23 ? 3.930 -86.309 -47.863 1.00 72.50 ? 26 THR E OG1 1 ? ? +16580 ATOM C CG2 . THR E 5 23 ? 1.755 -87.267 -48.144 1.00 73.77 ? 26 THR E CG2 1 ? ? +16581 ATOM C C . THR E 5 23 ? 3.771 -85.078 -50.571 1.00 71.20 ? 26 THR E C 1 ? ? +16582 ATOM O O . THR E 5 23 ? 3.093 -84.141 -50.971 1.00 71.01 ? 26 THR E O 1 ? ? +16583 ATOM N N . ILE E 5 24 ? 5.105 -85.031 -50.522 1.00 70.11 ? 27 ILE E N 1 ? ? +16584 ATOM C CA . ILE E 5 24 ? 5.823 -83.843 -50.960 1.00 68.92 ? 27 ILE E CA 1 ? ? +16585 ATOM C CB . ILE E 5 24 ? 7.302 -83.868 -50.478 1.00 68.57 ? 27 ILE E CB 1 ? ? +16586 ATOM C CG1 . ILE E 5 24 ? 7.378 -83.634 -48.960 1.00 68.39 ? 27 ILE E CG1 1 ? ? +16587 ATOM C CG2 . ILE E 5 24 ? 8.157 -82.853 -51.235 1.00 67.74 ? 27 ILE E CG2 1 ? ? +16588 ATOM C CD1 . ILE E 5 24 ? 8.770 -83.800 -48.355 1.00 68.49 ? 27 ILE E CD1 1 ? ? +16589 ATOM C C . ILE E 5 24 ? 5.676 -83.608 -52.468 1.00 68.58 ? 27 ILE E C 1 ? ? +16590 ATOM O O . ILE E 5 24 ? 5.244 -82.535 -52.883 1.00 68.53 ? 27 ILE E O 1 ? ? +16591 ATOM N N . PRO E 5 25 ? 6.011 -84.574 -53.353 1.00 68.70 ? 28 PRO E N 1 ? ? +16592 ATOM C CA . PRO E 5 25 ? 5.743 -84.409 -54.786 1.00 68.64 ? 28 PRO E CA 1 ? ? +16593 ATOM C CB . PRO E 5 25 ? 6.247 -85.728 -55.388 1.00 69.53 ? 28 PRO E CB 1 ? ? +16594 ATOM C CG . PRO E 5 25 ? 7.173 -86.314 -54.368 1.00 69.60 ? 28 PRO E CG 1 ? ? +16595 ATOM C CD . PRO E 5 25 ? 6.669 -85.854 -53.036 1.00 69.37 ? 28 PRO E CD 1 ? ? +16596 ATOM C C . PRO E 5 25 ? 4.271 -84.182 -55.147 1.00 68.62 ? 28 PRO E C 1 ? ? +16597 ATOM O O . PRO E 5 25 ? 3.957 -83.401 -56.039 1.00 68.24 ? 28 PRO E O 1 ? ? +16598 ATOM N N . ALA E 5 26 ? 3.364 -84.881 -54.464 1.00 68.90 ? 29 ALA E N 1 ? ? +16599 ATOM C CA . ALA E 5 26 ? 1.941 -84.720 -54.717 1.00 69.38 ? 29 ALA E CA 1 ? ? +16600 ATOM C CB . ALA E 5 26 ? 1.141 -85.619 -53.787 1.00 70.23 ? 29 ALA E CB 1 ? ? +16601 ATOM C C . ALA E 5 26 ? 1.480 -83.270 -54.571 1.00 68.29 ? 29 ALA E C 1 ? ? +16602 ATOM O O . ALA E 5 26 ? 0.726 -82.770 -55.408 1.00 68.31 ? 29 ALA E O 1 ? ? +16603 ATOM N N . LEU E 5 27 ? 1.941 -82.601 -53.505 1.00 67.17 ? 30 LEU E N 1 ? ? +16604 ATOM C CA . LEU E 5 27 ? 1.622 -81.201 -53.273 1.00 66.08 ? 30 LEU E CA 1 ? ? +16605 ATOM C CB . LEU E 5 27 ? 2.074 -80.755 -51.874 1.00 65.64 ? 30 LEU E CB 1 ? ? +16606 ATOM C CG . LEU E 5 27 ? 1.245 -81.269 -50.700 1.00 66.35 ? 30 LEU E CG 1 ? ? +16607 ATOM C CD1 . LEU E 5 27 ? 1.858 -80.838 -49.399 1.00 66.00 ? 30 LEU E CD1 1 ? ? +16608 ATOM C CD2 . LEU E 5 27 ? -0.220 -80.799 -50.771 1.00 66.63 ? 30 LEU E CD2 1 ? ? +16609 ATOM C C . LEU E 5 27 ? 2.278 -80.318 -54.330 1.00 65.11 ? 30 LEU E C 1 ? ? +16610 ATOM O O . LEU E 5 27 ? 1.650 -79.401 -54.859 1.00 64.90 ? 30 LEU E O 1 ? ? +16611 ATOM N N . PHE E 5 28 ? 3.545 -80.609 -54.634 1.00 64.39 ? 31 PHE E N 1 ? ? +16612 ATOM C CA . PHE E 5 28 ? 4.292 -79.853 -55.625 1.00 63.45 ? 31 PHE E CA 1 ? ? +16613 ATOM C CB . PHE E 5 28 ? 5.721 -80.401 -55.737 1.00 63.31 ? 31 PHE E CB 1 ? ? +16614 ATOM C CG . PHE E 5 28 ? 6.644 -79.610 -56.618 1.00 62.67 ? 31 PHE E CG 1 ? ? +16615 ATOM C CD2 . PHE E 5 28 ? 7.462 -78.634 -56.084 1.00 61.82 ? 31 PHE E CD2 1 ? ? +16616 ATOM C CD1 . PHE E 5 28 ? 6.725 -79.867 -57.976 1.00 62.90 ? 31 PHE E CD1 1 ? ? +16617 ATOM C CE2 . PHE E 5 28 ? 8.326 -77.912 -56.893 1.00 61.38 ? 31 PHE E CE2 1 ? ? +16618 ATOM C CE1 . PHE E 5 28 ? 7.598 -79.140 -58.784 1.00 62.43 ? 31 PHE E CE1 1 ? ? +16619 ATOM C CZ . PHE E 5 28 ? 8.387 -78.168 -58.236 1.00 61.65 ? 31 PHE E CZ 1 ? ? +16620 ATOM C C . PHE E 5 28 ? 3.574 -79.908 -56.968 1.00 63.52 ? 31 PHE E C 1 ? ? +16621 ATOM O O . PHE E 5 28 ? 3.325 -78.883 -57.585 1.00 63.26 ? 31 PHE E O 1 ? ? +16622 ATOM N N . ILE E 5 29 ? 3.235 -81.120 -57.406 1.00 64.04 ? 32 ILE E N 1 ? ? +16623 ATOM C CA . ILE E 5 29 ? 2.508 -81.314 -58.649 1.00 64.32 ? 32 ILE E CA 1 ? ? +16624 ATOM C CB . ILE E 5 29 ? 2.412 -82.827 -58.988 1.00 65.26 ? 32 ILE E CB 1 ? ? +16625 ATOM C CG1 . ILE E 5 29 ? 3.825 -83.397 -59.322 1.00 65.25 ? 32 ILE E CG1 1 ? ? +16626 ATOM C CG2 . ILE E 5 29 ? 1.411 -83.091 -60.130 1.00 65.86 ? 32 ILE E CG2 1 ? ? +16627 ATOM C CD1 . ILE E 5 29 ? 3.909 -84.924 -59.440 1.00 66.11 ? 32 ILE E CD1 1 ? ? +16628 ATOM C C . ILE E 5 29 ? 1.139 -80.632 -58.614 1.00 64.03 ? 32 ILE E C 1 ? ? +16629 ATOM O O . ILE E 5 29 ? 0.714 -80.084 -59.622 1.00 63.99 ? 32 ILE E O 1 ? ? +16630 ATOM N N . ALA E 5 30 ? 0.457 -80.658 -57.463 1.00 63.78 ? 33 ALA E N 1 ? ? +16631 ATOM C CA . ALA E 5 30 ? -0.834 -79.997 -57.324 1.00 63.59 ? 33 ALA E CA 1 ? ? +16632 ATOM C CB . ALA E 5 30 ? -1.436 -80.293 -55.960 1.00 63.81 ? 33 ALA E CB 1 ? ? +16633 ATOM C C . ALA E 5 30 ? -0.715 -78.487 -57.526 1.00 62.51 ? 33 ALA E C 1 ? ? +16634 ATOM O O . ALA E 5 30 ? -1.558 -77.864 -58.174 1.00 62.53 ? 33 ALA E O 1 ? ? +16635 ATOM N N . GLY E 5 31 ? 0.352 -77.910 -56.960 1.00 61.58 ? 34 GLY E N 1 ? ? +16636 ATOM C CA . GLY E 5 31 ? 0.662 -76.500 -57.140 1.00 60.55 ? 34 GLY E CA 1 ? ? +16637 ATOM C C . GLY E 5 31 ? 1.010 -76.147 -58.582 1.00 60.28 ? 34 GLY E C 1 ? ? +16638 ATOM O O . GLY E 5 31 ? 0.599 -75.109 -59.091 1.00 59.81 ? 34 GLY E O 1 ? ? +16639 ATOM N N . TRP E 5 32 ? 1.775 -77.032 -59.225 1.00 60.58 ? 35 TRP E N 1 ? ? +16640 ATOM C CA . TRP E 5 32 ? 2.125 -76.892 -60.629 1.00 60.61 ? 35 TRP E CA 1 ? ? +16641 ATOM C CB . TRP E 5 32 ? 3.065 -78.039 -61.067 1.00 61.00 ? 35 TRP E CB 1 ? ? +16642 ATOM C CG . TRP E 5 32 ? 3.610 -77.899 -62.450 1.00 61.00 ? 35 TRP E CG 1 ? ? +16643 ATOM C CD1 . TRP E 5 32 ? 2.912 -77.959 -63.618 1.00 61.43 ? 35 TRP E CD1 1 ? ? +16644 ATOM N NE1 . TRP E 5 32 ? 3.758 -77.764 -64.684 1.00 61.34 ? 35 TRP E NE1 1 ? ? +16645 ATOM C CE2 . TRP E 5 32 ? 5.034 -77.602 -64.214 1.00 60.86 ? 35 TRP E CE2 1 ? ? +16646 ATOM C CZ2 . TRP E 5 32 ? 6.230 -77.395 -64.902 1.00 60.70 ? 35 TRP E CZ2 1 ? ? +16647 ATOM C CH2 . TRP E 5 32 ? 7.376 -77.260 -64.155 1.00 60.30 ? 35 TRP E CH2 1 ? ? +16648 ATOM C CZ3 . TRP E 5 32 ? 7.347 -77.327 -62.758 1.00 60.09 ? 35 TRP E CZ3 1 ? ? +16649 ATOM C CE3 . TRP E 5 32 ? 6.160 -77.536 -62.075 1.00 60.25 ? 35 TRP E CE3 1 ? ? +16650 ATOM C CD2 . TRP E 5 32 ? 4.975 -77.676 -62.807 1.00 60.64 ? 35 TRP E CD2 1 ? ? +16651 ATOM C C . TRP E 5 32 ? 0.862 -76.828 -61.486 1.00 60.95 ? 35 TRP E C 1 ? ? +16652 ATOM O O . TRP E 5 32 ? 0.692 -75.892 -62.258 1.00 60.64 ? 35 TRP E O 1 ? ? +16653 ATOM N N . LEU E 5 33 ? -0.031 -77.811 -61.325 1.00 61.70 ? 36 LEU E N 1 ? ? +16654 ATOM C CA . LEU E 5 33 ? -1.274 -77.868 -62.084 1.00 62.23 ? 36 LEU E CA 1 ? ? +16655 ATOM C CB . LEU E 5 33 ? -2.002 -79.180 -61.774 1.00 63.23 ? 36 LEU E CB 1 ? ? +16656 ATOM C CG . LEU E 5 33 ? -1.282 -80.477 -62.186 1.00 63.85 ? 36 LEU E CG 1 ? ? +16657 ATOM C CD1 . LEU E 5 33 ? -1.961 -81.702 -61.568 1.00 64.69 ? 36 LEU E CD1 1 ? ? +16658 ATOM C CD2 . LEU E 5 33 ? -1.224 -80.624 -63.685 1.00 64.17 ? 36 LEU E CD2 1 ? ? +16659 ATOM C C . LEU E 5 33 ? -2.215 -76.688 -61.831 1.00 61.74 ? 36 LEU E C 1 ? ? +16660 ATOM O O . LEU E 5 33 ? -2.900 -76.249 -62.746 1.00 61.89 ? 36 LEU E O 1 ? ? +16661 ATOM N N . PHE E 5 34 ? -2.235 -76.159 -60.601 1.00 61.18 ? 37 PHE E N 1 ? ? +16662 ATOM C CA . PHE E 5 34 ? -3.015 -74.970 -60.279 1.00 60.71 ? 37 PHE E CA 1 ? ? +16663 ATOM C CB . PHE E 5 34 ? -2.769 -74.573 -58.814 1.00 60.06 ? 37 PHE E CB 1 ? ? +16664 ATOM C CG . PHE E 5 34 ? -3.649 -73.468 -58.284 1.00 59.67 ? 37 PHE E CG 1 ? ? +16665 ATOM C CD1 . PHE E 5 34 ? -5.029 -73.608 -58.261 1.00 60.22 ? 37 PHE E CD1 1 ? ? +16666 ATOM C CD2 . PHE E 5 34 ? -3.102 -72.305 -57.787 1.00 58.79 ? 37 PHE E CD2 1 ? ? +16667 ATOM C CE1 . PHE E 5 34 ? -5.839 -72.596 -57.761 1.00 59.89 ? 37 PHE E CE1 1 ? ? +16668 ATOM C CE2 . PHE E 5 34 ? -3.916 -71.296 -57.282 1.00 58.53 ? 37 PHE E CE2 1 ? ? +16669 ATOM C CZ . PHE E 5 34 ? -5.280 -71.455 -57.268 1.00 59.07 ? 37 PHE E CZ 1 ? ? +16670 ATOM C C . PHE E 5 34 ? -2.708 -73.794 -61.213 1.00 60.33 ? 37 PHE E C 1 ? ? +16671 ATOM O O . PHE E 5 34 ? -3.599 -73.025 -61.568 1.00 60.17 ? 37 PHE E O 1 ? ? +16672 ATOM N N . VAL E 5 35 ? -1.429 -73.653 -61.587 1.00 60.15 ? 38 VAL E N 1 ? ? +16673 ATOM C CA . VAL E 5 35 ? -0.993 -72.651 -62.546 1.00 59.89 ? 38 VAL E CA 1 ? ? +16674 ATOM C CB . VAL E 5 35 ? 0.490 -72.283 -62.307 1.00 59.35 ? 38 VAL E CB 1 ? ? +16675 ATOM C CG1 . VAL E 5 35 ? 1.082 -71.512 -63.487 1.00 59.11 ? 38 VAL E CG1 1 ? ? +16676 ATOM C CG2 . VAL E 5 35 ? 0.655 -71.510 -60.999 1.00 58.71 ? 38 VAL E CG2 1 ? ? +16677 ATOM C C . VAL E 5 35 ? -1.211 -73.127 -63.980 1.00 60.59 ? 38 VAL E C 1 ? ? +16678 ATOM O O . VAL E 5 35 ? -1.857 -72.437 -64.769 1.00 60.79 ? 38 VAL E O 1 ? ? +16679 ATOM N N . SER E 5 36 ? -0.674 -74.310 -64.308 1.00 61.10 ? 39 SER E N 1 ? ? +16680 ATOM C CA . SER E 5 36 ? -0.579 -74.759 -65.691 1.00 61.54 ? 39 SER E CA 1 ? ? +16681 ATOM C CB . SER E 5 36 ? 0.337 -75.983 -65.807 1.00 61.94 ? 39 SER E CB 1 ? ? +16682 ATOM O OG . SER E 5 36 ? -0.263 -77.159 -65.278 1.00 62.79 ? 39 SER E OG 1 ? ? +16683 ATOM C C . SER E 5 36 ? -1.941 -75.033 -66.332 1.00 61.95 ? 39 SER E C 1 ? ? +16684 ATOM O O . SER E 5 36 ? -2.068 -74.955 -67.548 1.00 62.26 ? 39 SER E O 1 ? ? +16685 ATOM N N . THR E 5 37 ? -2.959 -75.330 -65.523 1.00 62.02 ? 40 THR E N 1 ? ? +16686 ATOM C CA . THR E 5 37 ? -4.320 -75.442 -66.035 1.00 62.53 ? 40 THR E CA 1 ? ? +16687 ATOM C CB . THR E 5 37 ? -5.179 -76.306 -65.112 1.00 63.04 ? 40 THR E CB 1 ? ? +16688 ATOM O OG1 . THR E 5 37 ? -5.361 -75.645 -63.858 1.00 62.48 ? 40 THR E OG1 1 ? ? +16689 ATOM C CG2 . THR E 5 37 ? -4.565 -77.694 -64.898 1.00 63.51 ? 40 THR E CG2 1 ? ? +16690 ATOM C C . THR E 5 37 ? -4.963 -74.075 -66.249 1.00 61.96 ? 40 THR E C 1 ? ? +16691 ATOM O O . THR E 5 37 ? -6.010 -73.980 -66.868 1.00 62.39 ? 40 THR E O 1 ? ? +16692 ATOM N N . GLY E 5 38 ? -4.320 -73.021 -65.738 1.00 61.04 ? 41 GLY E N 1 ? ? +16693 ATOM C CA . GLY E 5 38 ? -4.824 -71.664 -65.851 1.00 60.50 ? 41 GLY E CA 1 ? ? +16694 ATOM C C . GLY E 5 38 ? -5.751 -71.275 -64.706 1.00 60.35 ? 41 GLY E C 1 ? ? +16695 ATOM O O . GLY E 5 38 ? -6.233 -70.149 -64.666 1.00 60.07 ? 41 GLY E O 1 ? ? +16696 ATOM N N . LEU E 5 39 ? -5.984 -72.199 -63.768 1.00 60.66 ? 42 LEU E N 1 ? ? +16697 ATOM C CA . LEU E 5 39 ? -6.956 -71.986 -62.708 1.00 60.73 ? 42 LEU E CA 1 ? ? +16698 ATOM C CB . LEU E 5 39 ? -7.100 -73.255 -61.850 1.00 61.28 ? 42 LEU E CB 1 ? ? +16699 ATOM C CG . LEU E 5 39 ? -8.289 -73.275 -60.844 1.00 61.65 ? 42 LEU E CG 1 ? ? +16700 ATOM C CD1 . LEU E 5 39 ? -9.638 -73.017 -61.513 1.00 62.11 ? 42 LEU E CD1 1 ? ? +16701 ATOM C CD2 . LEU E 5 39 ? -8.360 -74.602 -60.115 1.00 62.22 ? 42 LEU E CD2 1 ? ? +16702 ATOM C C . LEU E 5 39 ? -6.590 -70.791 -61.832 1.00 59.92 ? 42 LEU E C 1 ? ? +16703 ATOM O O . LEU E 5 39 ? -7.469 -70.013 -61.472 1.00 59.87 ? 42 LEU E O 1 ? ? +16704 ATOM N N . ALA E 5 40 ? -5.292 -70.628 -61.530 1.00 59.29 ? 43 ALA E N 1 ? ? +16705 ATOM C CA . ALA E 5 40 ? -4.836 -69.538 -60.685 1.00 58.48 ? 43 ALA E CA 1 ? ? +16706 ATOM C CB . ALA E 5 40 ? -3.323 -69.562 -60.579 1.00 58.01 ? 43 ALA E CB 1 ? ? +16707 ATOM C C . ALA E 5 40 ? -5.305 -68.169 -61.182 1.00 58.13 ? 43 ALA E C 1 ? ? +16708 ATOM O O . ALA E 5 40 ? -5.714 -67.324 -60.382 1.00 57.80 ? 43 ALA E O 1 ? ? +16709 ATOM N N . TYR E 5 41 ? -5.242 -67.952 -62.503 1.00 58.22 ? 44 TYR E N 1 ? ? +16710 ATOM C CA . TYR E 5 41 ? -5.721 -66.711 -63.091 1.00 57.97 ? 44 TYR E CA 1 ? ? +16711 ATOM C CB . TYR E 5 41 ? -5.626 -66.741 -64.615 1.00 58.32 ? 44 TYR E CB 1 ? ? +16712 ATOM C CG . TYR E 5 41 ? -4.224 -66.790 -65.173 1.00 58.07 ? 44 TYR E CG 1 ? ? +16713 ATOM C CD1 . TYR E 5 41 ? -3.435 -65.647 -65.237 1.00 57.41 ? 44 TYR E CD1 1 ? ? +16714 ATOM C CD2 . TYR E 5 41 ? -3.684 -67.978 -65.641 1.00 58.51 ? 44 TYR E CD2 1 ? ? +16715 ATOM C CE1 . TYR E 5 41 ? -2.152 -65.685 -65.770 1.00 57.09 ? 44 TYR E CE1 1 ? ? +16716 ATOM C CE2 . TYR E 5 41 ? -2.398 -68.028 -66.164 1.00 58.24 ? 44 TYR E CE2 1 ? ? +16717 ATOM C CZ . TYR E 5 41 ? -1.637 -66.881 -66.227 1.00 57.55 ? 44 TYR E CZ 1 ? ? +16718 ATOM O OH . TYR E 5 41 ? -0.376 -66.969 -66.757 1.00 57.57 ? 44 TYR E OH 1 ? ? +16719 ATOM C C . TYR E 5 41 ? -7.176 -66.433 -62.732 1.00 58.24 ? 44 TYR E C 1 ? ? +16720 ATOM O O . TYR E 5 41 ? -7.528 -65.307 -62.407 1.00 57.92 ? 44 TYR E O 1 ? ? +16721 ATOM N N . ASP E 5 42 ? -8.023 -67.461 -62.831 1.00 58.96 ? 45 ASP E N 1 ? ? +16722 ATOM C CA . ASP E 5 42 ? -9.457 -67.266 -62.698 1.00 59.48 ? 45 ASP E CA 1 ? ? +16723 ATOM C CB . ASP E 5 42 ? -10.241 -68.384 -63.402 1.00 60.51 ? 45 ASP E CB 1 ? ? +16724 ATOM C CG . ASP E 5 42 ? -9.990 -68.433 -64.918 1.00 60.90 ? 45 ASP E CG 1 ? ? +16725 ATOM O OD1 . ASP E 5 42 ? -9.771 -67.344 -65.542 1.00 60.58 ? 45 ASP E OD1 1 ? ? +16726 ATOM O OD2 . ASP E 5 42 ? -10.000 -69.543 -65.483 1.00 61.63 ? 45 ASP E OD2 1 ? ? +16727 ATOM C C . ASP E 5 42 ? -9.899 -67.113 -61.245 1.00 59.20 ? 45 ASP E C 1 ? ? +16728 ATOM O O . ASP E 5 42 ? -10.805 -66.331 -60.968 1.00 59.29 ? 45 ASP E O 1 ? ? +16729 ATOM N N . VAL E 5 43 ? -9.247 -67.830 -60.323 1.00 58.90 ? 46 VAL E N 1 ? ? +16730 ATOM C CA . VAL E 5 43 ? -9.563 -67.720 -58.908 1.00 58.62 ? 46 VAL E CA 1 ? ? +16731 ATOM C CB . VAL E 5 43 ? -8.781 -68.775 -58.065 1.00 58.71 ? 46 VAL E CB 1 ? ? +16732 ATOM C CG1 . VAL E 5 43 ? -8.914 -68.527 -56.559 1.00 58.45 ? 46 VAL E CG1 1 ? ? +16733 ATOM C CG2 . VAL E 5 43 ? -9.217 -70.195 -58.406 1.00 59.58 ? 46 VAL E CG2 1 ? ? +16734 ATOM C C . VAL E 5 43 ? -9.293 -66.302 -58.406 1.00 57.71 ? 46 VAL E C 1 ? ? +16735 ATOM O O . VAL E 5 43 ? -10.128 -65.704 -57.734 1.00 57.68 ? 46 VAL E O 1 ? ? +16736 ATOM N N . PHE E 5 44 ? -8.112 -65.767 -58.728 1.00 56.92 ? 47 PHE E N 1 ? ? +16737 ATOM C CA . PHE E 5 44 ? -7.677 -64.504 -58.161 1.00 56.00 ? 47 PHE E CA 1 ? ? +16738 ATOM C CB . PHE E 5 44 ? -6.175 -64.584 -57.878 1.00 55.40 ? 47 PHE E CB 1 ? ? +16739 ATOM C CG . PHE E 5 44 ? -5.831 -65.589 -56.799 1.00 55.39 ? 47 PHE E CG 1 ? ? +16740 ATOM C CD1 . PHE E 5 44 ? -6.154 -65.349 -55.479 1.00 55.15 ? 47 PHE E CD1 1 ? ? +16741 ATOM C CD2 . PHE E 5 44 ? -5.196 -66.777 -57.111 1.00 55.68 ? 47 PHE E CD2 1 ? ? +16742 ATOM C CE1 . PHE E 5 44 ? -5.840 -66.276 -54.493 1.00 55.26 ? 47 PHE E CE1 1 ? ? +16743 ATOM C CE2 . PHE E 5 44 ? -4.878 -67.695 -56.125 1.00 55.79 ? 47 PHE E CE2 1 ? ? +16744 ATOM C CZ . PHE E 5 44 ? -5.205 -67.442 -54.825 1.00 55.59 ? 47 PHE E CZ 1 ? ? +16745 ATOM C C . PHE E 5 44 ? -8.035 -63.279 -59.002 1.00 55.75 ? 47 PHE E C 1 ? ? +16746 ATOM O O . PHE E 5 44 ? -8.077 -62.172 -58.476 1.00 55.29 ? 47 PHE E O 1 ? ? +16747 ATOM N N . GLY E 5 45 ? -8.332 -63.476 -60.289 1.00 56.12 ? 48 GLY E N 1 ? ? +16748 ATOM C CA . GLY E 5 45 ? -8.712 -62.380 -61.167 1.00 56.02 ? 48 GLY E CA 1 ? ? +16749 ATOM C C . GLY E 5 45 ? -7.526 -61.652 -61.802 1.00 55.44 ? 48 GLY E C 1 ? ? +16750 ATOM O O . GLY E 5 45 ? -7.627 -60.487 -62.177 1.00 55.05 ? 48 GLY E O 1 ? ? +16751 ATOM N N . THR E 5 46 ? -6.416 -62.379 -61.948 1.00 55.45 ? 49 THR E N 1 ? ? +16752 ATOM C CA . THR E 5 46 ? -5.166 -61.835 -62.442 1.00 55.04 ? 49 THR E CA 1 ? ? +16753 ATOM C CB . THR E 5 46 ? -4.050 -62.591 -61.786 1.00 54.83 ? 49 THR E CB 1 ? ? +16754 ATOM O OG1 . THR E 5 46 ? -4.227 -62.387 -60.376 1.00 54.60 ? 49 THR E OG1 1 ? ? +16755 ATOM C CG2 . THR E 5 46 ? -2.666 -62.144 -62.270 1.00 54.36 ? 49 THR E CG2 1 ? ? +16756 ATOM C C . THR E 5 46 ? -5.098 -61.917 -63.962 1.00 55.50 ? 49 THR E C 1 ? ? +16757 ATOM O O . THR E 5 46 ? -5.349 -62.967 -64.542 1.00 56.09 ? 49 THR E O 1 ? ? +16758 ATOM N N . PRO E 5 47 ? -4.759 -60.818 -64.665 1.00 55.42 ? 50 PRO E N 1 ? ? +16759 ATOM C CA . PRO E 5 47 ? -4.706 -60.848 -66.126 1.00 56.01 ? 50 PRO E CA 1 ? ? +16760 ATOM C CB . PRO E 5 47 ? -4.340 -59.402 -66.492 1.00 55.41 ? 50 PRO E CB 1 ? ? +16761 ATOM C CG . PRO E 5 47 ? -4.645 -58.592 -65.280 1.00 54.85 ? 50 PRO E CG 1 ? ? +16762 ATOM C CD . PRO E 5 47 ? -4.451 -59.494 -64.107 1.00 54.74 ? 50 PRO E CD 1 ? ? +16763 ATOM C C . PRO E 5 47 ? -3.667 -61.832 -66.658 1.00 56.53 ? 50 PRO E C 1 ? ? +16764 ATOM O O . PRO E 5 47 ? -2.563 -61.907 -66.125 1.00 56.25 ? 50 PRO E O 1 ? ? +16765 ATOM N N . ARG E 5 48 ? -4.040 -62.584 -67.698 1.00 57.58 ? 51 ARG E N 1 ? ? +16766 ATOM C CA . ARG E 5 48 ? -3.080 -63.299 -68.523 1.00 58.11 ? 51 ARG E CA 1 ? ? +16767 ATOM C CB . ARG E 5 48 ? -3.773 -64.329 -69.420 1.00 59.20 ? 51 ARG E CB 1 ? ? +16768 ATOM C CG . ARG E 5 48 ? -4.437 -65.465 -68.655 1.00 59.96 ? 51 ARG E CG 1 ? ? +16769 ATOM C CD . ARG E 5 48 ? -5.200 -66.410 -69.575 1.00 61.14 ? 51 ARG E CD 1 ? ? +16770 ATOM N NE . ARG E 5 48 ? -5.873 -67.493 -68.860 1.00 61.93 ? 51 ARG E NE 1 ? ? +16771 ATOM C CZ . ARG E 5 48 ? -6.941 -67.345 -68.075 1.00 62.18 ? 51 ARG E CZ 1 ? ? +16772 ATOM N NH1 . ARG E 5 48 ? -7.449 -66.151 -67.813 1.00 61.84 ? 51 ARG E NH1 1 ? ? +16773 ATOM N NH2 . ARG E 5 48 ? -7.501 -68.422 -67.528 1.00 62.77 ? 51 ARG E NH2 1 ? ? +16774 ATOM C C . ARG E 5 48 ? -2.325 -62.267 -69.364 1.00 57.92 ? 51 ARG E C 1 ? ? +16775 ATOM O O . ARG E 5 48 ? -2.813 -61.149 -69.553 1.00 57.68 ? 51 ARG E O 1 ? ? +16776 ATOM N N . PRO E 5 49 ? -1.122 -62.601 -69.898 1.00 57.91 ? 52 PRO E N 1 ? ? +16777 ATOM C CA . PRO E 5 49 ? -0.329 -61.656 -70.682 1.00 57.69 ? 52 PRO E CA 1 ? ? +16778 ATOM C CB . PRO E 5 49 ? 0.803 -62.538 -71.218 1.00 57.83 ? 52 PRO E CB 1 ? ? +16779 ATOM C CG . PRO E 5 49 ? 0.966 -63.595 -70.179 1.00 57.82 ? 52 PRO E CG 1 ? ? +16780 ATOM C CD . PRO E 5 49 ? -0.456 -63.907 -69.784 1.00 58.19 ? 52 PRO E CD 1 ? ? +16781 ATOM C C . PRO E 5 49 ? -1.067 -60.956 -71.818 1.00 58.23 ? 52 PRO E C 1 ? ? +16782 ATOM O O . PRO E 5 49 ? -0.678 -59.865 -72.213 1.00 58.02 ? 52 PRO E O 1 ? ? +16783 ATOM N N . ASP E 5 50 ? -2.147 -61.566 -72.321 1.00 59.17 ? 53 ASP E N 1 ? ? +16784 ATOM C CA . ASP E 5 50 ? -2.928 -60.974 -73.392 1.00 59.64 ? 53 ASP E CA 1 ? ? +16785 ATOM C CB . ASP E 5 50 ? -3.314 -62.054 -74.413 1.00 60.41 ? 53 ASP E CB 1 ? ? +16786 ATOM C CG . ASP E 5 50 ? -4.271 -63.112 -73.897 1.00 60.85 ? 53 ASP E CG 1 ? ? +16787 ATOM O OD1 . ASP E 5 50 ? -4.697 -63.009 -72.735 1.00 60.59 ? 53 ASP E OD1 1 ? ? +16788 ATOM O OD2 . ASP E 5 50 ? -4.588 -64.036 -74.656 1.00 61.54 ? 53 ASP E OD2 1 ? ? +16789 ATOM C C . ASP E 5 50 ? -4.197 -60.264 -72.925 1.00 59.84 ? 53 ASP E C 1 ? ? +16790 ATOM O O . ASP E 5 50 ? -5.014 -59.901 -73.765 1.00 60.02 ? 53 ASP E O 1 ? ? +16791 ATOM N N . SER E 5 51 ? -4.355 -60.050 -71.610 1.00 59.74 ? 54 SER E N 1 ? ? +16792 ATOM C CA . SER E 5 51 ? -5.575 -59.432 -71.105 1.00 60.18 ? 54 SER E CA 1 ? ? +16793 ATOM C CB . SER E 5 51 ? -6.481 -60.491 -70.480 1.00 60.90 ? 54 SER E CB 1 ? ? +16794 ATOM O OG . SER E 5 51 ? -5.803 -61.289 -69.536 1.00 60.94 ? 54 SER E OG 1 ? ? +16795 ATOM C C . SER E 5 51 ? -5.369 -58.268 -70.139 1.00 59.51 ? 54 SER E C 1 ? ? +16796 ATOM O O . SER E 5 51 ? -6.261 -57.946 -69.364 1.00 59.75 ? 54 SER E O 1 ? ? +16797 ATOM N N . TYR E 5 52 ? -4.218 -57.604 -70.232 1.00 59.02 ? 55 TYR E N 1 ? ? +16798 ATOM C CA . TYR E 5 52 ? -3.990 -56.340 -69.552 1.00 58.55 ? 55 TYR E CA 1 ? ? +16799 ATOM C CB . TYR E 5 52 ? -2.463 -56.018 -69.480 1.00 57.58 ? 55 TYR E CB 1 ? ? +16800 ATOM C CG . TYR E 5 52 ? -1.767 -56.778 -68.382 1.00 56.80 ? 55 TYR E CG 1 ? ? +16801 ATOM C CD1 . TYR E 5 52 ? -1.774 -56.312 -67.080 1.00 56.19 ? 55 TYR E CD1 1 ? ? +16802 ATOM C CD2 . TYR E 5 52 ? -1.180 -58.003 -68.626 1.00 56.85 ? 55 TYR E CD2 1 ? ? +16803 ATOM C CE1 . TYR E 5 52 ? -1.174 -57.019 -66.056 1.00 55.91 ? 55 TYR E CE1 1 ? ? +16804 ATOM C CE2 . TYR E 5 52 ? -0.591 -58.731 -67.609 1.00 56.63 ? 55 TYR E CE2 1 ? ? +16805 ATOM C CZ . TYR E 5 52 ? -0.582 -58.232 -66.322 1.00 56.22 ? 55 TYR E CZ 1 ? ? +16806 ATOM O OH . TYR E 5 52 ? 0.022 -58.927 -65.303 1.00 56.02 ? 55 TYR E OH 1 ? ? +16807 ATOM C C . TYR E 5 52 ? -4.711 -55.207 -70.271 1.00 59.40 ? 55 TYR E C 1 ? ? +16808 ATOM O O . TYR E 5 52 ? -5.228 -54.304 -69.634 1.00 59.20 ? 55 TYR E O 1 ? ? +16809 ATOM N N . TYR E 5 53 ? -4.687 -55.250 -71.605 1.00 60.95 ? 56 TYR E N 1 ? ? +16810 ATOM C CA . TYR E 5 53 ? -5.225 -54.203 -72.453 1.00 62.25 ? 56 TYR E CA 1 ? ? +16811 ATOM C CB . TYR E 5 53 ? -4.127 -53.447 -73.173 1.00 61.69 ? 56 TYR E CB 1 ? ? +16812 ATOM C CG . TYR E 5 53 ? -3.258 -52.563 -72.329 1.00 60.81 ? 56 TYR E CG 1 ? ? +16813 ATOM C CD1 . TYR E 5 53 ? -3.747 -51.382 -71.793 1.00 60.36 ? 56 TYR E CD1 1 ? ? +16814 ATOM C CD2 . TYR E 5 53 ? -1.923 -52.878 -72.105 1.00 60.26 ? 56 TYR E CD2 1 ? ? +16815 ATOM C CE1 . TYR E 5 53 ? -2.936 -50.548 -71.041 1.00 59.78 ? 56 TYR E CE1 1 ? ? +16816 ATOM C CE2 . TYR E 5 53 ? -1.102 -52.048 -71.355 1.00 59.37 ? 56 TYR E CE2 1 ? ? +16817 ATOM C CZ . TYR E 5 53 ? -1.610 -50.877 -70.837 1.00 59.20 ? 56 TYR E CZ 1 ? ? +16818 ATOM O OH . TYR E 5 53 ? -0.825 -50.048 -70.094 1.00 58.95 ? 56 TYR E OH 1 ? ? +16819 ATOM C C . TYR E 5 53 ? -6.087 -54.785 -73.564 1.00 64.70 ? 56 TYR E C 1 ? ? +16820 ATOM O O . TYR E 5 53 ? -5.865 -55.913 -73.988 1.00 64.75 ? 56 TYR E O 1 ? ? +16821 ATOM N N . ALA E 5 54 ? -7.037 -53.984 -74.060 1.00 67.42 ? 57 ALA E N 1 ? ? +16822 ATOM C CA . ALA E 5 54 ? -7.648 -54.233 -75.356 1.00 69.88 ? 57 ALA E CA 1 ? ? +16823 ATOM C CB . ALA E 5 54 ? -8.920 -53.408 -75.520 1.00 70.66 ? 57 ALA E CB 1 ? ? +16824 ATOM C C . ALA E 5 54 ? -6.613 -53.909 -76.435 1.00 70.62 ? 57 ALA E C 1 ? ? +16825 ATOM O O . ALA E 5 54 ? -5.662 -53.181 -76.182 1.00 70.00 ? 57 ALA E O 1 ? ? +16826 ATOM N N . GLN E 5 55 ? -6.807 -54.458 -77.637 1.00 72.85 ? 58 GLN E N 1 ? ? +16827 ATOM C CA . GLN E 5 55 ? -5.811 -54.400 -78.696 1.00 74.49 ? 58 GLN E CA 1 ? ? +16828 ATOM C CB . GLN E 5 55 ? -6.426 -55.017 -79.973 1.00 74.98 ? 58 GLN E CB 1 ? ? +16829 ATOM C CG . GLN E 5 55 ? -5.460 -55.180 -81.150 1.00 75.02 ? 58 GLN E CG 1 ? ? +16830 ATOM C CD . GLN E 5 55 ? -4.158 -55.878 -80.778 1.00 74.03 ? 58 GLN E CD 1 ? ? +16831 ATOM O OE1 . GLN E 5 55 ? -4.137 -56.845 -80.015 1.00 73.00 ? 58 GLN E OE1 1 ? ? +16832 ATOM N NE2 . GLN E 5 55 ? -3.041 -55.392 -81.305 1.00 73.54 ? 58 GLN E NE2 1 ? ? +16833 ATOM C C . GLN E 5 55 ? -5.261 -53.004 -79.000 1.00 76.50 ? 58 GLN E C 1 ? ? +16834 ATOM O O . GLN E 5 55 ? -4.069 -52.860 -79.262 1.00 74.40 ? 58 GLN E O 1 ? ? +16835 ATOM N N . GLU E 5 56 ? -6.131 -51.984 -78.963 1.00 81.27 ? 59 GLU E N 1 ? ? +16836 ATOM C CA . GLU E 5 56 ? -5.764 -50.634 -79.372 1.00 84.36 ? 59 GLU E CA 1 ? ? +16837 ATOM C CB . GLU E 5 56 ? -6.735 -50.131 -80.472 1.00 87.71 ? 59 GLU E CB 1 ? ? +16838 ATOM C CG . GLU E 5 56 ? -6.702 -50.928 -81.776 1.00 90.74 ? 59 GLU E CG 1 ? ? +16839 ATOM C CD . GLU E 5 56 ? -5.383 -50.931 -82.539 1.00 93.32 ? 59 GLU E CD 1 ? ? +16840 ATOM O OE1 . GLU E 5 56 ? -4.414 -50.262 -82.106 1.00 93.63 ? 59 GLU E OE1 1 ? ? +16841 ATOM O OE2 . GLU E 5 56 ? -5.331 -51.597 -83.599 1.00 95.83 ? 59 GLU E OE2 1 ? ? +16842 ATOM C C . GLU E 5 56 ? -5.709 -49.588 -78.258 1.00 84.39 ? 59 GLU E C 1 ? ? +16843 ATOM O O . GLU E 5 56 ? -5.170 -48.511 -78.480 1.00 86.01 ? 59 GLU E O 1 ? ? +16844 ATOM N N . GLN E 5 57 ? -6.245 -49.889 -77.070 1.00 85.70 ? 60 GLN E N 1 ? ? +16845 ATOM C CA . GLN E 5 57 ? -6.209 -48.930 -75.973 1.00 87.79 ? 60 GLN E CA 1 ? ? +16846 ATOM C CB . GLN E 5 57 ? -7.276 -49.230 -74.906 1.00 93.44 ? 60 GLN E CB 1 ? ? +16847 ATOM C CG . GLN E 5 57 ? -6.979 -50.476 -74.040 1.00 98.23 ? 60 GLN E CG 1 ? ? +16848 ATOM C CD . GLN E 5 57 ? -7.667 -50.435 -72.666 1.00 102.37 ? 60 GLN E CD 1 ? ? +16849 ATOM O OE1 . GLN E 5 57 ? -8.533 -49.585 -72.392 1.00 110.53 ? 60 GLN E OE1 1 ? ? +16850 ATOM N NE2 . GLN E 5 57 ? -7.301 -51.339 -71.763 1.00 100.70 ? 60 GLN E NE2 1 ? ? +16851 ATOM C C . GLN E 5 57 ? -4.840 -48.905 -75.297 1.00 85.03 ? 60 GLN E C 1 ? ? +16852 ATOM O O . GLN E 5 57 ? -4.063 -49.849 -75.425 1.00 83.71 ? 60 GLN E O 1 ? ? +16853 ATOM N N . ARG E 5 58 ? -4.559 -47.811 -74.581 1.00 83.66 ? 61 ARG E N 1 ? ? +16854 ATOM C CA . ARG E 5 58 ? -3.384 -47.718 -73.728 1.00 81.76 ? 61 ARG E CA 1 ? ? +16855 ATOM C CB . ARG E 5 58 ? -2.253 -46.916 -74.424 1.00 84.05 ? 61 ARG E CB 1 ? ? +16856 ATOM C CG . ARG E 5 58 ? -1.255 -47.768 -75.244 1.00 87.23 ? 61 ARG E CG 1 ? ? +16857 ATOM C CD . ARG E 5 58 ? 0.028 -46.972 -75.593 1.00 88.97 ? 61 ARG E CD 1 ? ? +16858 ATOM N NE . ARG E 5 58 ? 0.587 -47.317 -76.901 1.00 90.72 ? 61 ARG E NE 1 ? ? +16859 ATOM C CZ . ARG E 5 58 ? 0.023 -47.024 -78.071 1.00 91.87 ? 61 ARG E CZ 1 ? ? +16860 ATOM N NH1 . ARG E 5 58 ? -1.024 -46.218 -78.158 1.00 94.36 ? 61 ARG E NH1 1 ? ? +16861 ATOM N NH2 . ARG E 5 58 ? 0.531 -47.544 -79.186 1.00 90.84 ? 61 ARG E NH2 1 ? ? +16862 ATOM C C . ARG E 5 58 ? -3.704 -47.099 -72.367 1.00 77.81 ? 61 ARG E C 1 ? ? +16863 ATOM O O . ARG E 5 58 ? -2.785 -46.739 -71.635 1.00 78.08 ? 61 ARG E O 1 ? ? +16864 ATOM N N . SER E 5 59 ? -4.997 -47.017 -72.016 1.00 75.45 ? 62 SER E N 1 ? ? +16865 ATOM C CA . SER E 5 59 ? -5.398 -46.550 -70.697 1.00 72.50 ? 62 SER E CA 1 ? ? +16866 ATOM C CB . SER E 5 59 ? -6.674 -45.711 -70.773 1.00 72.41 ? 62 SER E CB 1 ? ? +16867 ATOM O OG . SER E 5 59 ? -7.804 -46.511 -71.065 1.00 73.44 ? 62 SER E OG 1 ? ? +16868 ATOM C C . SER E 5 59 ? -5.561 -47.742 -69.752 1.00 70.22 ? 62 SER E C 1 ? ? +16869 ATOM O O . SER E 5 59 ? -5.994 -48.813 -70.175 1.00 71.23 ? 62 SER E O 1 ? ? +16870 ATOM N N . ILE E 5 60 ? -5.223 -47.534 -68.474 1.00 67.31 ? 63 ILE E N 1 ? ? +16871 ATOM C CA . ILE E 5 60 ? -5.374 -48.541 -67.440 1.00 65.91 ? 63 ILE E CA 1 ? ? +16872 ATOM C CB . ILE E 5 60 ? -4.564 -48.148 -66.170 1.00 65.76 ? 63 ILE E CB 1 ? ? +16873 ATOM C CG1 . ILE E 5 60 ? -3.025 -48.108 -66.359 1.00 66.01 ? 63 ILE E CG1 1 ? ? +16874 ATOM C CG2 . ILE E 5 60 ? -4.884 -49.083 -65.005 1.00 66.17 ? 63 ILE E CG2 1 ? ? +16875 ATOM C CD1 . ILE E 5 60 ? -2.494 -48.090 -67.850 1.00 66.77 ? 63 ILE E CD1 1 ? ? +16876 ATOM C C . ILE E 5 60 ? -6.856 -48.670 -67.095 1.00 64.91 ? 63 ILE E C 1 ? ? +16877 ATOM O O . ILE E 5 60 ? -7.550 -47.664 -66.967 1.00 64.25 ? 63 ILE E O 1 ? ? +16878 ATOM N N . PRO E 5 61 ? -7.386 -49.898 -66.896 1.00 64.12 ? 64 PRO E N 1 ? ? +16879 ATOM C CA . PRO E 5 61 ? -8.726 -50.075 -66.345 1.00 63.93 ? 64 PRO E CA 1 ? ? +16880 ATOM C CB . PRO E 5 61 ? -9.039 -51.519 -66.705 1.00 64.52 ? 64 PRO E CB 1 ? ? +16881 ATOM C CG . PRO E 5 61 ? -7.690 -52.204 -66.669 1.00 64.42 ? 64 PRO E CG 1 ? ? +16882 ATOM C CD . PRO E 5 61 ? -6.715 -51.182 -67.168 1.00 64.17 ? 64 PRO E CD 1 ? ? +16883 ATOM C C . PRO E 5 61 ? -8.737 -49.836 -64.839 1.00 63.02 ? 64 PRO E C 1 ? ? +16884 ATOM O O . PRO E 5 61 ? -8.890 -50.762 -64.055 1.00 62.78 ? 64 PRO E O 1 ? ? +16885 ATOM N N . LEU E 5 62 ? -8.569 -48.575 -64.442 1.00 62.59 ? 65 LEU E N 1 ? ? +16886 ATOM C CA . LEU E 5 62 ? -8.494 -48.219 -63.038 1.00 62.03 ? 65 LEU E CA 1 ? ? +16887 ATOM C CB . LEU E 5 62 ? -7.701 -46.927 -62.893 1.00 61.71 ? 65 LEU E CB 1 ? ? +16888 ATOM C CG . LEU E 5 62 ? -7.092 -46.732 -61.540 1.00 62.01 ? 65 LEU E CG 1 ? ? +16889 ATOM C CD1 . LEU E 5 62 ? -5.714 -47.416 -61.456 1.00 62.17 ? 65 LEU E CD1 1 ? ? +16890 ATOM C CD2 . LEU E 5 62 ? -6.987 -45.264 -61.202 1.00 62.08 ? 65 LEU E CD2 1 ? ? +16891 ATOM C C . LEU E 5 62 ? -9.899 -48.071 -62.450 1.00 61.52 ? 65 LEU E C 1 ? ? +16892 ATOM O O . LEU E 5 62 ? -10.763 -47.449 -63.046 1.00 61.13 ? 65 LEU E O 1 ? ? +16893 ATOM N N . VAL E 5 63 ? -10.105 -48.672 -61.279 1.00 61.19 ? 66 VAL E N 1 ? ? +16894 ATOM C CA . VAL E 5 63 ? -11.315 -48.515 -60.496 1.00 61.50 ? 66 VAL E CA 1 ? ? +16895 ATOM C CB . VAL E 5 63 ? -11.290 -49.549 -59.356 1.00 61.29 ? 66 VAL E CB 1 ? ? +16896 ATOM C CG1 . VAL E 5 63 ? -12.377 -49.266 -58.326 1.00 62.03 ? 66 VAL E CG1 1 ? ? +16897 ATOM C CG2 . VAL E 5 63 ? -11.410 -50.961 -59.900 1.00 61.60 ? 66 VAL E CG2 1 ? ? +16898 ATOM C C . VAL E 5 63 ? -11.428 -47.091 -59.955 1.00 61.30 ? 66 VAL E C 1 ? ? +16899 ATOM O O . VAL E 5 63 ? -10.503 -46.615 -59.306 1.00 61.42 ? 66 VAL E O 1 ? ? +16900 ATOM N N . THR E 5 64 ? -12.557 -46.418 -60.215 1.00 61.62 ? 67 THR E N 1 ? ? +16901 ATOM C CA . THR E 5 64 ? -12.729 -45.025 -59.827 1.00 61.62 ? 67 THR E CA 1 ? ? +16902 ATOM C CB . THR E 5 64 ? -12.792 -44.120 -61.068 1.00 61.57 ? 67 THR E CB 1 ? ? +16903 ATOM O OG1 . THR E 5 64 ? -14.014 -44.371 -61.745 1.00 62.33 ? 67 THR E OG1 1 ? ? +16904 ATOM C CG2 . THR E 5 64 ? -11.628 -44.325 -62.005 1.00 61.23 ? 67 THR E CG2 1 ? ? +16905 ATOM C C . THR E 5 64 ? -13.962 -44.725 -58.974 1.00 62.30 ? 67 THR E C 1 ? ? +16906 ATOM O O . THR E 5 64 ? -14.188 -43.577 -58.600 1.00 62.03 ? 67 THR E O 1 ? ? +16907 ATOM N N . ASP E 5 65 ? -14.750 -45.753 -58.661 1.00 63.46 ? 68 ASP E N 1 ? ? +16908 ATOM C CA . ASP E 5 65 ? -15.917 -45.588 -57.817 1.00 64.83 ? 68 ASP E CA 1 ? ? +16909 ATOM C CB . ASP E 5 65 ? -17.178 -45.681 -58.662 1.00 66.92 ? 68 ASP E CB 1 ? ? +16910 ATOM C CG . ASP E 5 65 ? -18.414 -45.423 -57.857 1.00 68.73 ? 68 ASP E CG 1 ? ? +16911 ATOM O OD1 . ASP E 5 65 ? -18.566 -44.294 -57.348 1.00 69.61 ? 68 ASP E OD1 1 ? ? +16912 ATOM O OD2 . ASP E 5 65 ? -19.194 -46.352 -57.681 1.00 70.91 ? 68 ASP E OD2 1 ? ? +16913 ATOM C C . ASP E 5 65 ? -15.925 -46.660 -56.731 1.00 64.61 ? 68 ASP E C 1 ? ? +16914 ATOM O O . ASP E 5 65 ? -15.593 -47.808 -57.004 1.00 67.13 ? 68 ASP E O 1 ? ? +16915 ATOM N N . ARG E 5 66 ? -16.321 -46.282 -55.511 1.00 62.64 ? 69 ARG E N 1 ? ? +16916 ATOM C CA . ARG E 5 66 ? -16.270 -47.187 -54.377 1.00 61.12 ? 69 ARG E CA 1 ? ? +16917 ATOM C CB . ARG E 5 66 ? -16.459 -46.417 -53.062 1.00 59.80 ? 69 ARG E CB 1 ? ? +16918 ATOM C CG . ARG E 5 66 ? -16.424 -47.325 -51.851 1.00 59.14 ? 69 ARG E CG 1 ? ? +16919 ATOM C CD . ARG E 5 66 ? -16.267 -46.589 -50.557 1.00 58.14 ? 69 ARG E CD 1 ? ? +16920 ATOM N NE . ARG E 5 66 ? -16.358 -47.514 -49.434 1.00 57.69 ? 69 ARG E NE 1 ? ? +16921 ATOM C CZ . ARG E 5 66 ? -16.327 -47.157 -48.159 1.00 56.73 ? 69 ARG E CZ 1 ? ? +16922 ATOM N NH1 . ARG E 5 66 ? -16.045 -45.922 -47.800 1.00 56.03 ? 69 ARG E NH1 1 ? ? +16923 ATOM N NH2 . ARG E 5 66 ? -16.573 -48.069 -47.220 1.00 56.76 ? 69 ARG E NH2 1 ? ? +16924 ATOM C C . ARG E 5 66 ? -17.304 -48.306 -54.489 1.00 62.15 ? 69 ARG E C 1 ? ? +16925 ATOM O O . ARG E 5 66 ? -16.947 -49.480 -54.457 1.00 62.08 ? 69 ARG E O 1 ? ? +16926 ATOM N N . PHE E 5 67 ? -18.586 -47.939 -54.607 1.00 63.07 ? 70 PHE E N 1 ? ? +16927 ATOM C CA . PHE E 5 67 ? -19.670 -48.903 -54.468 1.00 64.18 ? 70 PHE E CA 1 ? ? +16928 ATOM C CB . PHE E 5 67 ? -20.875 -48.228 -53.839 1.00 63.74 ? 70 PHE E CB 1 ? ? +16929 ATOM C CG . PHE E 5 67 ? -20.525 -47.617 -52.512 1.00 62.57 ? 70 PHE E CG 1 ? ? +16930 ATOM C CD1 . PHE E 5 67 ? -20.213 -48.412 -51.429 1.00 62.20 ? 70 PHE E CD1 1 ? ? +16931 ATOM C CD2 . PHE E 5 67 ? -20.466 -46.248 -52.359 1.00 61.95 ? 70 PHE E CD2 1 ? ? +16932 ATOM C CE1 . PHE E 5 67 ? -19.876 -47.843 -50.206 1.00 61.66 ? 70 PHE E CE1 1 ? ? +16933 ATOM C CE2 . PHE E 5 67 ? -20.142 -45.684 -51.135 1.00 61.33 ? 70 PHE E CE2 1 ? ? +16934 ATOM C CZ . PHE E 5 67 ? -19.838 -46.485 -50.068 1.00 61.23 ? 70 PHE E CZ 1 ? ? +16935 ATOM C C . PHE E 5 67 ? -20.055 -49.597 -55.771 1.00 66.14 ? 70 PHE E C 1 ? ? +16936 ATOM O O . PHE E 5 67 ? -20.665 -50.654 -55.733 1.00 66.46 ? 70 PHE E O 1 ? ? +16937 ATOM N N . GLU E 5 68 ? -19.652 -49.022 -56.911 1.00 68.69 ? 71 GLU E N 1 ? ? +16938 ATOM C CA . GLU E 5 68 ? -19.838 -49.628 -58.221 1.00 71.31 ? 71 GLU E CA 1 ? ? +16939 ATOM C CB . GLU E 5 68 ? -20.373 -48.571 -59.211 1.00 74.87 ? 71 GLU E CB 1 ? ? +16940 ATOM C CG . GLU E 5 68 ? -21.647 -47.866 -58.773 1.00 78.40 ? 71 GLU E CG 1 ? ? +16941 ATOM C CD . GLU E 5 68 ? -22.830 -48.789 -58.589 1.00 83.66 ? 71 GLU E CD 1 ? ? +16942 ATOM O OE1 . GLU E 5 68 ? -22.954 -49.763 -59.369 1.00 87.12 ? 71 GLU E OE1 1 ? ? +16943 ATOM O OE2 . GLU E 5 68 ? -23.636 -48.530 -57.665 1.00 88.46 ? 71 GLU E OE2 1 ? ? +16944 ATOM C C . GLU E 5 68 ? -18.548 -50.218 -58.796 1.00 69.88 ? 71 GLU E C 1 ? ? +16945 ATOM O O . GLU E 5 68 ? -18.483 -50.524 -59.986 1.00 69.63 ? 71 GLU E O 1 ? ? +16946 ATOM N N . ALA E 5 69 ? -17.524 -50.375 -57.948 1.00 68.22 ? 72 ALA E N 1 ? ? +16947 ATOM C CA . ALA E 5 69 ? -16.236 -50.895 -58.376 1.00 67.32 ? 72 ALA E CA 1 ? ? +16948 ATOM C CB . ALA E 5 69 ? -15.257 -50.911 -57.220 1.00 66.29 ? 72 ALA E CB 1 ? ? +16949 ATOM C C . ALA E 5 69 ? -16.342 -52.301 -58.955 1.00 67.91 ? 72 ALA E C 1 ? ? +16950 ATOM O O . ALA E 5 69 ? -15.651 -52.627 -59.915 1.00 67.77 ? 72 ALA E O 1 ? ? +16951 ATOM N N . LYS E 5 70 ? -17.190 -53.135 -58.347 1.00 68.53 ? 73 LYS E N 1 ? ? +16952 ATOM C CA . LYS E 5 70 ? -17.374 -54.493 -58.821 1.00 69.80 ? 73 LYS E CA 1 ? ? +16953 ATOM C CB . LYS E 5 70 ? -18.333 -55.250 -57.902 1.00 70.90 ? 73 LYS E CB 1 ? ? +16954 ATOM C CG . LYS E 5 70 ? -18.455 -56.730 -58.236 1.00 71.84 ? 73 LYS E CG 1 ? ? +16955 ATOM C CD . LYS E 5 70 ? -19.303 -57.486 -57.259 1.00 72.87 ? 73 LYS E CD 1 ? ? +16956 ATOM C CE . LYS E 5 70 ? -19.437 -58.950 -57.598 1.00 74.25 ? 73 LYS E CE 1 ? ? +16957 ATOM N NZ . LYS E 5 70 ? -20.090 -59.149 -58.924 1.00 75.63 ? 73 LYS E NZ 1 ? ? +16958 ATOM C C . LYS E 5 70 ? -17.878 -54.483 -60.263 1.00 71.00 ? 73 LYS E C 1 ? ? +16959 ATOM O O . LYS E 5 70 ? -17.369 -55.223 -61.098 1.00 71.20 ? 73 LYS E O 1 ? ? +16960 ATOM N N . GLN E 5 71 ? -18.860 -53.623 -60.551 1.00 72.35 ? 74 GLN E N 1 ? ? +16961 ATOM C CA . GLN E 5 71 ? -19.396 -53.495 -61.898 1.00 74.29 ? 74 GLN E CA 1 ? ? +16962 ATOM C CB . GLN E 5 71 ? -20.677 -52.641 -61.911 1.00 77.30 ? 74 GLN E CB 1 ? ? +16963 ATOM C CG . GLN E 5 71 ? -21.823 -53.331 -61.243 1.00 81.43 ? 74 GLN E CG 1 ? ? +16964 ATOM C CD . GLN E 5 71 ? -23.112 -52.585 -61.434 1.00 87.08 ? 74 GLN E CD 1 ? ? +16965 ATOM O OE1 . GLN E 5 71 ? -23.729 -52.632 -62.513 1.00 92.91 ? 74 GLN E OE1 1 ? ? +16966 ATOM N NE2 . GLN E 5 71 ? -23.573 -51.906 -60.383 1.00 88.89 ? 74 GLN E NE2 1 ? ? +16967 ATOM C C . GLN E 5 71 ? -18.384 -52.904 -62.874 1.00 72.26 ? 74 GLN E C 1 ? ? +16968 ATOM O O . GLN E 5 71 ? -18.298 -53.348 -64.014 1.00 72.05 ? 74 GLN E O 1 ? ? +16969 ATOM N N . GLN E 5 72 ? -17.624 -51.899 -62.432 1.00 70.69 ? 75 GLN E N 1 ? ? +16970 ATOM C CA . GLN E 5 72 ? -16.572 -51.334 -63.261 1.00 70.27 ? 75 GLN E CA 1 ? ? +16971 ATOM C CB . GLN E 5 72 ? -15.767 -50.276 -62.514 1.00 70.01 ? 75 GLN E CB 1 ? ? +16972 ATOM C CG . GLN E 5 72 ? -16.387 -48.903 -62.568 1.00 70.40 ? 75 GLN E CG 1 ? ? +16973 ATOM C CD . GLN E 5 72 ? -15.462 -47.846 -62.059 1.00 69.76 ? 75 GLN E CD 1 ? ? +16974 ATOM O OE1 . GLN E 5 72 ? -14.369 -48.115 -61.574 1.00 69.19 ? 75 GLN E OE1 1 ? ? +16975 ATOM N NE2 . GLN E 5 72 ? -15.891 -46.611 -62.144 1.00 70.32 ? 75 GLN E NE2 1 ? ? +16976 ATOM C C . GLN E 5 72 ? -15.600 -52.391 -63.777 1.00 69.57 ? 75 GLN E C 1 ? ? +16977 ATOM O O . GLN E 5 72 ? -15.253 -52.383 -64.955 1.00 69.61 ? 75 GLN E O 1 ? ? +16978 ATOM N N . VAL E 5 73 ? -15.163 -53.294 -62.890 1.00 68.59 ? 76 VAL E N 1 ? ? +16979 ATOM C CA . VAL E 5 73 ? -14.213 -54.329 -63.268 1.00 68.25 ? 76 VAL E CA 1 ? ? +16980 ATOM C CB . VAL E 5 73 ? -13.661 -55.110 -62.051 1.00 67.49 ? 76 VAL E CB 1 ? ? +16981 ATOM C CG1 . VAL E 5 73 ? -12.723 -56.228 -62.497 1.00 67.40 ? 76 VAL E CG1 1 ? ? +16982 ATOM C CG2 . VAL E 5 73 ? -12.952 -54.177 -61.080 1.00 66.57 ? 76 VAL E CG2 1 ? ? +16983 ATOM C C . VAL E 5 73 ? -14.842 -55.268 -64.294 1.00 68.90 ? 76 VAL E C 1 ? ? +16984 ATOM O O . VAL E 5 73 ? -14.197 -55.649 -65.263 1.00 69.33 ? 76 VAL E O 1 ? ? +16985 ATOM N N . GLU E 5 74 ? -16.104 -55.638 -64.076 1.00 69.33 ? 77 GLU E N 1 ? ? +16986 ATOM C CA . GLU E 5 74 ? -16.817 -56.494 -65.012 1.00 70.26 ? 77 GLU E CA 1 ? ? +16987 ATOM C CB . GLU E 5 74 ? -18.181 -56.879 -64.435 1.00 71.97 ? 77 GLU E CB 1 ? ? +16988 ATOM C CG . GLU E 5 74 ? -17.990 -57.747 -63.204 1.00 72.74 ? 77 GLU E CG 1 ? ? +16989 ATOM C CD . GLU E 5 74 ? -19.192 -58.043 -62.345 1.00 74.34 ? 77 GLU E CD 1 ? ? +16990 ATOM O OE1 . GLU E 5 74 ? -20.343 -57.811 -62.788 1.00 75.54 ? 77 GLU E OE1 1 ? ? +16991 ATOM O OE2 . GLU E 5 74 ? -18.956 -58.498 -61.199 1.00 74.98 ? 77 GLU E OE2 1 ? ? +16992 ATOM C C . GLU E 5 74 ? -16.951 -55.822 -66.374 1.00 69.67 ? 77 GLU E C 1 ? ? +16993 ATOM O O . GLU E 5 74 ? -16.787 -56.473 -67.403 1.00 69.27 ? 77 GLU E O 1 ? ? +16994 ATOM N N . THR E 5 75 ? -17.218 -54.512 -66.358 1.00 69.73 ? 78 THR E N 1 ? ? +16995 ATOM C CA . THR E 5 75 ? -17.305 -53.727 -67.576 1.00 70.62 ? 78 THR E CA 1 ? ? +16996 ATOM C CB . THR E 5 75 ? -17.667 -52.268 -67.282 1.00 70.25 ? 78 THR E CB 1 ? ? +16997 ATOM O OG1 . THR E 5 75 ? -18.798 -52.246 -66.434 1.00 71.04 ? 78 THR E OG1 1 ? ? +16998 ATOM C CG2 . THR E 5 75 ? -17.943 -51.463 -68.550 1.00 70.37 ? 78 THR E CG2 1 ? ? +16999 ATOM C C . THR E 5 75 ? -15.991 -53.767 -68.346 1.00 71.19 ? 78 THR E C 1 ? ? +17000 ATOM O O . THR E 5 75 ? -16.001 -53.989 -69.551 1.00 72.16 ? 78 THR E O 1 ? ? +17001 ATOM N N . PHE E 5 76 ? -14.874 -53.530 -67.643 1.00 71.32 ? 79 PHE E N 1 ? ? +17002 ATOM C CA . PHE E 5 76 ? -13.558 -53.583 -68.259 1.00 72.30 ? 79 PHE E CA 1 ? ? +17003 ATOM C CB . PHE E 5 76 ? -12.435 -53.256 -67.255 1.00 72.18 ? 79 PHE E CB 1 ? ? +17004 ATOM C CG . PHE E 5 76 ? -12.426 -51.850 -66.687 1.00 72.84 ? 79 PHE E CG 1 ? ? +17005 ATOM C CD1 . PHE E 5 76 ? -12.595 -50.747 -67.511 1.00 73.59 ? 79 PHE E CD1 1 ? ? +17006 ATOM C CD2 . PHE E 5 76 ? -12.183 -51.630 -65.334 1.00 73.13 ? 79 PHE E CD2 1 ? ? +17007 ATOM C CE1 . PHE E 5 76 ? -12.555 -49.449 -66.984 1.00 73.63 ? 79 PHE E CE1 1 ? ? +17008 ATOM C CE2 . PHE E 5 76 ? -12.146 -50.333 -64.813 1.00 72.91 ? 79 PHE E CE2 1 ? ? +17009 ATOM C CZ . PHE E 5 76 ? -12.336 -49.253 -65.640 1.00 73.02 ? 79 PHE E CZ 1 ? ? +17010 ATOM C C . PHE E 5 76 ? -13.309 -54.953 -68.889 1.00 73.18 ? 79 PHE E C 1 ? ? +17011 ATOM O O . PHE E 5 76 ? -12.856 -55.020 -70.026 1.00 73.92 ? 79 PHE E O 1 ? ? +17012 ATOM N N . LEU E 5 77 ? -13.632 -56.031 -68.159 1.00 73.80 ? 80 LEU E N 1 ? ? +17013 ATOM C CA . LEU E 5 77 ? -13.387 -57.385 -68.628 1.00 76.05 ? 80 LEU E CA 1 ? ? +17014 ATOM C CB . LEU E 5 77 ? -13.679 -58.405 -67.505 1.00 75.48 ? 80 LEU E CB 1 ? ? +17015 ATOM C CG . LEU E 5 77 ? -12.705 -58.472 -66.333 1.00 74.80 ? 80 LEU E CG 1 ? ? +17016 ATOM C CD1 . LEU E 5 77 ? -13.061 -59.621 -65.411 1.00 75.00 ? 80 LEU E CD1 1 ? ? +17017 ATOM C CD2 . LEU E 5 77 ? -11.254 -58.595 -66.801 1.00 74.09 ? 80 LEU E CD2 1 ? ? +17018 ATOM C C . LEU E 5 77 ? -14.200 -57.733 -69.878 1.00 80.78 ? 80 LEU E C 1 ? ? +17019 ATOM O O . LEU E 5 77 ? -13.715 -58.476 -70.732 1.00 80.82 ? 80 LEU E O 1 ? ? +17020 ATOM N N . GLU E 5 78 ? -15.436 -57.209 -69.973 1.00 86.32 ? 81 GLU E N 1 ? ? +17021 ATOM C CA . GLU E 5 78 ? -16.233 -57.324 -71.189 1.00 91.25 ? 81 GLU E CA 1 ? ? +17022 ATOM C CB . GLU E 5 78 ? -17.590 -56.583 -71.092 1.00 93.89 ? 81 GLU E CB 1 ? ? +17023 ATOM C CG . GLU E 5 78 ? -18.585 -57.122 -70.081 1.00 96.41 ? 81 GLU E CG 1 ? ? +17024 ATOM C CD . GLU E 5 78 ? -19.020 -58.545 -70.324 1.00 99.33 ? 81 GLU E CD 1 ? ? +17025 ATOM O OE1 . GLU E 5 78 ? -19.398 -58.851 -71.477 1.00 102.27 ? 81 GLU E OE1 1 ? ? +17026 ATOM O OE2 . GLU E 5 78 ? -18.991 -59.350 -69.367 1.00 102.04 ? 81 GLU E OE2 1 ? ? +17027 ATOM C C . GLU E 5 78 ? -15.482 -56.741 -72.386 1.00 93.44 ? 81 GLU E C 1 ? ? +17028 ATOM O O . GLU E 5 78 ? -15.447 -57.342 -73.454 1.00 93.56 ? 81 GLU E O 1 ? ? +17029 ATOM N N . GLN E 5 79 ? -14.880 -55.560 -72.193 1.00 96.64 ? 82 GLN E N 1 ? ? +17030 ATOM C CA . GLN E 5 79 ? -14.263 -54.806 -73.273 1.00 101.01 ? 82 GLN E CA 1 ? ? +17031 ATOM C CB . GLN E 5 79 ? -14.002 -53.355 -72.820 1.00 104.11 ? 82 GLN E CB 1 ? ? +17032 ATOM C CG . GLN E 5 79 ? -15.280 -52.548 -72.601 1.00 108.29 ? 82 GLN E CG 1 ? ? +17033 ATOM C CD . GLN E 5 79 ? -14.990 -51.190 -72.006 1.00 112.43 ? 82 GLN E CD 1 ? ? +17034 ATOM O OE1 . GLN E 5 79 ? -13.818 -50.811 -71.773 1.00 110.96 ? 82 GLN E OE1 1 ? ? +17035 ATOM N NE2 . GLN E 5 79 ? -16.061 -50.434 -71.741 1.00 113.30 ? 82 GLN E NE2 1 ? ? +17036 ATOM C C . GLN E 5 79 ? -12.958 -55.411 -73.786 1.00 102.53 ? 82 GLN E C 1 ? ? +17037 ATOM O O . GLN E 5 79 ? -12.210 -54.745 -74.501 1.00 103.77 ? 82 GLN E O 1 ? ? +17038 ATOM N N . LEU E 5 80 ? -12.691 -56.671 -73.413 1.00 103.39 ? 83 LEU E N 1 ? ? +17039 ATOM C CA . LEU E 5 80 ? -11.639 -57.460 -74.035 1.00 103.96 ? 83 LEU E CA 1 ? ? +17040 ATOM C CB . LEU E 5 80 ? -11.054 -58.425 -72.991 1.00 101.67 ? 83 LEU E CB 1 ? ? +17041 ATOM C CG . LEU E 5 80 ? -10.288 -57.791 -71.815 1.00 98.61 ? 83 LEU E CG 1 ? ? +17042 ATOM C CD1 . LEU E 5 80 ? -9.620 -58.859 -70.981 1.00 97.31 ? 83 LEU E CD1 1 ? ? +17043 ATOM C CD2 . LEU E 5 80 ? -9.255 -56.783 -72.284 1.00 96.87 ? 83 LEU E CD2 1 ? ? +17044 ATOM C C . LEU E 5 80 ? -12.156 -58.227 -75.257 1.00 109.43 ? 83 LEU E C 1 ? ? +17045 ATOM O O . LEU E 5 80 ? -11.435 -59.049 -75.823 1.00 108.00 ? 83 LEU E O 1 ? ? +17046 ATOM N N . LYS E 5 81 ? -13.397 -57.906 -75.668 1.00 116.40 ? 84 LYS E N 1 ? ? +17047 ATOM C CA . LYS E 5 81 ? -14.093 -58.507 -76.802 1.00 118.71 ? 84 LYS E CA 1 ? ? +17048 ATOM C CB . LYS E 5 81 ? -13.418 -58.126 -78.150 1.00 120.85 ? 84 LYS E CB 1 ? ? +17049 ATOM C CG . LYS E 5 81 ? -13.456 -56.621 -78.487 1.00 122.45 ? 84 LYS E CG 1 ? ? +17050 ATOM C CD . LYS E 5 81 ? -12.222 -55.846 -77.986 1.00 123.10 ? 84 LYS E CD 1 ? ? +17051 ATOM C CE . LYS E 5 81 ? -12.199 -54.404 -78.451 1.00 122.55 ? 84 LYS E CE 1 ? ? +17052 ATOM N NZ . LYS E 5 81 ? -10.810 -53.864 -78.464 1.00 120.85 ? 84 LYS E NZ 1 ? ? +17053 ATOM C C . LYS E 5 81 ? -14.251 -60.046 -76.667 1.00 119.22 ? 84 LYS E C 1 ? ? +17054 ATOM O O . LYS E 5 81 ? -14.179 -60.583 -75.561 1.00 117.14 ? 84 LYS E O 1 ? ? +17055 ATOM O OXT . LYS E 5 81 ? -14.488 -60.737 -77.659 1.00 121.46 ? 84 LYS E OXT 1 ? ? +17056 ATOM N N . SER F 6 1 ? 6.116 -95.271 -27.847 1.00 97.95 ? 12 SER F N 1 ? ? +17057 ATOM C CA . SER F 6 1 ? 6.808 -94.382 -26.922 1.00 97.51 ? 12 SER F CA 1 ? ? +17058 ATOM C CB . SER F 6 1 ? 8.324 -94.462 -27.148 1.00 97.29 ? 12 SER F CB 1 ? ? +17059 ATOM O OG . SER F 6 1 ? 9.065 -93.980 -26.039 1.00 97.01 ? 12 SER F OG 1 ? ? +17060 ATOM C C . SER F 6 1 ? 6.268 -92.954 -27.051 1.00 96.23 ? 12 SER F C 1 ? ? +17061 ATOM O O . SER F 6 1 ? 5.674 -92.445 -26.103 1.00 97.72 ? 12 SER F O 1 ? ? +17062 ATOM N N . TYR F 6 2 ? 6.442 -92.334 -28.234 1.00 93.66 ? 13 TYR F N 1 ? ? +17063 ATOM C CA . TYR F 6 2 ? 5.980 -90.976 -28.503 1.00 91.02 ? 13 TYR F CA 1 ? ? +17064 ATOM C CB . TYR F 6 2 ? 6.997 -90.237 -29.353 1.00 90.00 ? 13 TYR F CB 1 ? ? +17065 ATOM C CG . TYR F 6 2 ? 8.338 -90.061 -28.690 1.00 89.73 ? 13 TYR F CG 1 ? ? +17066 ATOM C CD1 . TYR F 6 2 ? 8.484 -89.235 -27.586 1.00 89.41 ? 13 TYR F CD1 1 ? ? +17067 ATOM C CD2 . TYR F 6 2 ? 9.464 -90.715 -29.171 1.00 89.32 ? 13 TYR F CD2 1 ? ? +17068 ATOM C CE1 . TYR F 6 2 ? 9.720 -89.060 -26.977 1.00 89.27 ? 13 TYR F CE1 1 ? ? +17069 ATOM C CE2 . TYR F 6 2 ? 10.702 -90.553 -28.568 1.00 89.07 ? 13 TYR F CE2 1 ? ? +17070 ATOM C CZ . TYR F 6 2 ? 10.826 -89.725 -27.471 1.00 89.19 ? 13 TYR F CZ 1 ? ? +17071 ATOM O OH . TYR F 6 2 ? 12.048 -89.559 -26.877 1.00 90.88 ? 13 TYR F OH 1 ? ? +17072 ATOM C C . TYR F 6 2 ? 4.655 -90.894 -29.259 1.00 90.05 ? 13 TYR F C 1 ? ? +17073 ATOM O O . TYR F 6 2 ? 4.329 -91.791 -30.033 1.00 91.12 ? 13 TYR F O 1 ? ? +17074 ATOM N N . PRO F 6 3 ? 3.852 -89.819 -29.071 1.00 87.95 ? 14 PRO F N 1 ? ? +17075 ATOM C CA . PRO F 6 3 ? 2.708 -89.543 -29.949 1.00 86.48 ? 14 PRO F CA 1 ? ? +17076 ATOM C CB . PRO F 6 3 ? 1.978 -88.396 -29.232 1.00 86.55 ? 14 PRO F CB 1 ? ? +17077 ATOM C CG . PRO F 6 3 ? 2.522 -88.403 -27.821 1.00 87.34 ? 14 PRO F CG 1 ? ? +17078 ATOM C CD . PRO F 6 3 ? 3.942 -88.865 -27.954 1.00 87.04 ? 14 PRO F CD 1 ? ? +17079 ATOM C C . PRO F 6 3 ? 3.102 -89.120 -31.362 1.00 84.00 ? 14 PRO F C 1 ? ? +17080 ATOM O O . PRO F 6 3 ? 4.235 -88.701 -31.592 1.00 83.44 ? 14 PRO F O 1 ? ? +17081 ATOM N N . ILE F 6 4 ? 2.160 -89.250 -32.304 1.00 82.43 ? 15 ILE F N 1 ? ? +17082 ATOM C CA . ILE F 6 4 ? 2.349 -88.768 -33.663 1.00 80.90 ? 15 ILE F CA 1 ? ? +17083 ATOM C CB . ILE F 6 4 ? 1.769 -89.744 -34.716 1.00 81.75 ? 15 ILE F CB 1 ? ? +17084 ATOM C CG1 . ILE F 6 4 ? 2.575 -91.036 -34.786 1.00 82.55 ? 15 ILE F CG1 1 ? ? +17085 ATOM C CG2 . ILE F 6 4 ? 1.691 -89.074 -36.101 1.00 81.35 ? 15 ILE F CG2 1 ? ? +17086 ATOM C CD1 . ILE F 6 4 ? 1.867 -92.174 -35.468 1.00 83.59 ? 15 ILE F CD1 1 ? ? +17087 ATOM C C . ILE F 6 4 ? 1.730 -87.386 -33.833 1.00 78.79 ? 15 ILE F C 1 ? ? +17088 ATOM O O . ILE F 6 4 ? 2.386 -86.474 -34.321 1.00 77.94 ? 15 ILE F O 1 ? ? +17089 ATOM N N . PHE F 6 5 ? 0.452 -87.266 -33.455 1.00 78.16 ? 16 PHE F N 1 ? ? +17090 ATOM C CA . PHE F 6 5 ? -0.344 -86.080 -33.716 1.00 76.69 ? 16 PHE F CA 1 ? ? +17091 ATOM C CB . PHE F 6 5 ? -1.758 -86.488 -34.162 1.00 77.43 ? 16 PHE F CB 1 ? ? +17092 ATOM C CG . PHE F 6 5 ? -1.740 -87.308 -35.431 1.00 78.17 ? 16 PHE F CG 1 ? ? +17093 ATOM C CD1 . PHE F 6 5 ? -1.631 -86.697 -36.671 1.00 77.88 ? 16 PHE F CD1 1 ? ? +17094 ATOM C CD2 . PHE F 6 5 ? -1.774 -88.694 -35.383 1.00 79.43 ? 16 PHE F CD2 1 ? ? +17095 ATOM C CE1 . PHE F 6 5 ? -1.601 -87.455 -37.841 1.00 78.43 ? 16 PHE F CE1 1 ? ? +17096 ATOM C CE2 . PHE F 6 5 ? -1.729 -89.448 -36.552 1.00 80.03 ? 16 PHE F CE2 1 ? ? +17097 ATOM C CZ . PHE F 6 5 ? -1.640 -88.822 -37.775 1.00 79.51 ? 16 PHE F CZ 1 ? ? +17098 ATOM C C . PHE F 6 5 ? -0.331 -85.216 -32.458 1.00 75.38 ? 16 PHE F C 1 ? ? +17099 ATOM O O . PHE F 6 5 ? -0.974 -85.529 -31.463 1.00 75.98 ? 16 PHE F O 1 ? ? +17100 ATOM N N . THR F 6 6 ? 0.521 -84.191 -32.488 1.00 73.74 ? 17 THR F N 1 ? ? +17101 ATOM C CA . THR F 6 6 ? 0.609 -83.182 -31.448 1.00 72.61 ? 17 THR F CA 1 ? ? +17102 ATOM C CB . THR F 6 6 ? 2.039 -83.130 -30.871 1.00 71.86 ? 17 THR F CB 1 ? ? +17103 ATOM O OG1 . THR F 6 6 ? 2.929 -82.917 -31.947 1.00 70.96 ? 17 THR F OG1 1 ? ? +17104 ATOM C CG2 . THR F 6 6 ? 2.431 -84.383 -30.151 1.00 72.62 ? 17 THR F CG2 1 ? ? +17105 ATOM C C . THR F 6 6 ? 0.234 -81.817 -32.020 1.00 71.65 ? 17 THR F C 1 ? ? +17106 ATOM O O . THR F 6 6 ? 0.010 -81.664 -33.224 1.00 71.85 ? 17 THR F O 1 ? ? +17107 ATOM N N . VAL F 6 7 ? 0.204 -80.814 -31.135 1.00 70.60 ? 18 VAL F N 1 ? ? +17108 ATOM C CA . VAL F 6 7 ? 0.104 -79.419 -31.530 1.00 69.08 ? 18 VAL F CA 1 ? ? +17109 ATOM C CB . VAL F 6 7 ? -0.007 -78.508 -30.284 1.00 68.84 ? 18 VAL F CB 1 ? ? +17110 ATOM C CG1 . VAL F 6 7 ? 0.190 -77.045 -30.636 1.00 67.82 ? 18 VAL F CG1 1 ? ? +17111 ATOM C CG2 . VAL F 6 7 ? -1.338 -78.712 -29.573 1.00 69.84 ? 18 VAL F CG2 1 ? ? +17112 ATOM C C . VAL F 6 7 ? 1.288 -79.017 -32.404 1.00 67.93 ? 18 VAL F C 1 ? ? +17113 ATOM O O . VAL F 6 7 ? 1.123 -78.243 -33.338 1.00 67.54 ? 18 VAL F O 1 ? ? +17114 ATOM N N . ARG F 6 8 ? 2.485 -79.524 -32.087 1.00 67.70 ? 19 ARG F N 1 ? ? +17115 ATOM C CA . ARG F 6 8 ? 3.657 -79.267 -32.908 1.00 66.74 ? 19 ARG F CA 1 ? ? +17116 ATOM C CB . ARG F 6 8 ? 4.905 -79.886 -32.298 1.00 66.83 ? 19 ARG F CB 1 ? ? +17117 ATOM C CG . ARG F 6 8 ? 6.175 -79.543 -33.074 1.00 66.29 ? 19 ARG F CG 1 ? ? +17118 ATOM C CD . ARG F 6 8 ? 7.366 -80.307 -32.569 1.00 66.55 ? 19 ARG F CD 1 ? ? +17119 ATOM N NE . ARG F 6 8 ? 7.338 -81.694 -33.014 1.00 67.46 ? 19 ARG F NE 1 ? ? +17120 ATOM C CZ . ARG F 6 8 ? 8.225 -82.619 -32.673 1.00 68.11 ? 19 ARG F CZ 1 ? ? +17121 ATOM N NH1 . ARG F 6 8 ? 9.203 -82.366 -31.819 1.00 68.10 ? 19 ARG F NH1 1 ? ? +17122 ATOM N NH2 . ARG F 6 8 ? 8.124 -83.836 -33.200 1.00 68.94 ? 19 ARG F NH2 1 ? ? +17123 ATOM C C . ARG F 6 8 ? 3.476 -79.824 -34.317 1.00 66.88 ? 19 ARG F C 1 ? ? +17124 ATOM O O . ARG F 6 8 ? 3.869 -79.195 -35.286 1.00 66.08 ? 19 ARG F O 1 ? ? +17125 ATOM N N . TRP F 6 9 ? 2.897 -81.020 -34.423 1.00 67.98 ? 20 TRP F N 1 ? ? +17126 ATOM C CA . TRP F 6 9 ? 2.578 -81.607 -35.716 1.00 68.51 ? 20 TRP F CA 1 ? ? +17127 ATOM C CB . TRP F 6 9 ? 1.912 -82.962 -35.522 1.00 69.93 ? 20 TRP F CB 1 ? ? +17128 ATOM C CG . TRP F 6 9 ? 1.661 -83.726 -36.778 1.00 70.93 ? 20 TRP F CG 1 ? ? +17129 ATOM C CD1 . TRP F 6 9 ? 2.400 -84.760 -37.255 1.00 71.81 ? 20 TRP F CD1 1 ? ? +17130 ATOM N NE1 . TRP F 6 9 ? 1.853 -85.232 -38.423 1.00 72.32 ? 20 TRP F NE1 1 ? ? +17131 ATOM C CE2 . TRP F 6 9 ? 0.738 -84.498 -38.727 1.00 71.94 ? 20 TRP F CE2 1 ? ? +17132 ATOM C CZ2 . TRP F 6 9 ? -0.141 -84.596 -39.808 1.00 72.16 ? 20 TRP F CZ2 1 ? ? +17133 ATOM C CH2 . TRP F 6 9 ? -1.183 -83.717 -39.849 1.00 71.96 ? 20 TRP F CH2 1 ? ? +17134 ATOM C CZ3 . TRP F 6 9 ? -1.370 -82.760 -38.850 1.00 71.42 ? 20 TRP F CZ3 1 ? ? +17135 ATOM C CE3 . TRP F 6 9 ? -0.508 -82.670 -37.777 1.00 71.10 ? 20 TRP F CE3 1 ? ? +17136 ATOM C CD2 . TRP F 6 9 ? 0.576 -83.547 -37.705 1.00 71.28 ? 20 TRP F CD2 1 ? ? +17137 ATOM C C . TRP F 6 9 ? 1.687 -80.686 -36.549 1.00 68.03 ? 20 TRP F C 1 ? ? +17138 ATOM O O . TRP F 6 9 ? 1.952 -80.473 -37.732 1.00 67.60 ? 20 TRP F O 1 ? ? +17139 ATOM N N . VAL F 6 10 ? 0.628 -80.148 -35.927 1.00 67.82 ? 21 VAL F N 1 ? ? +17140 ATOM C CA . VAL F 6 10 ? -0.303 -79.277 -36.628 1.00 67.50 ? 21 VAL F CA 1 ? ? +17141 ATOM C CB . VAL F 6 10 ? -1.565 -78.943 -35.791 1.00 67.98 ? 21 VAL F CB 1 ? ? +17142 ATOM C CG1 . VAL F 6 10 ? -2.508 -78.012 -36.563 1.00 67.72 ? 21 VAL F CG1 1 ? ? +17143 ATOM C CG2 . VAL F 6 10 ? -2.299 -80.210 -35.341 1.00 69.00 ? 21 VAL F CG2 1 ? ? +17144 ATOM C C . VAL F 6 10 ? 0.427 -78.005 -37.056 1.00 66.37 ? 21 VAL F C 1 ? ? +17145 ATOM O O . VAL F 6 10 ? 0.304 -77.561 -38.191 1.00 66.35 ? 21 VAL F O 1 ? ? +17146 ATOM N N . ALA F 6 11 ? 1.193 -77.418 -36.135 1.00 65.65 ? 22 ALA F N 1 ? ? +17147 ATOM C CA . ALA F 6 11 ? 1.943 -76.209 -36.425 1.00 64.63 ? 22 ALA F CA 1 ? ? +17148 ATOM C CB . ALA F 6 11 ? 2.705 -75.769 -35.190 1.00 64.46 ? 22 ALA F CB 1 ? ? +17149 ATOM C C . ALA F 6 11 ? 2.898 -76.374 -37.609 1.00 64.20 ? 22 ALA F C 1 ? ? +17150 ATOM O O . ALA F 6 11 ? 2.979 -75.501 -38.466 1.00 63.37 ? 22 ALA F O 1 ? ? +17151 ATOM N N . VAL F 6 12 ? 3.622 -77.498 -37.651 1.00 64.49 ? 23 VAL F N 1 ? ? +17152 ATOM C CA . VAL F 6 12 ? 4.543 -77.787 -38.738 1.00 64.22 ? 23 VAL F CA 1 ? ? +17153 ATOM C CB . VAL F 6 12 ? 5.382 -79.054 -38.428 1.00 64.85 ? 23 VAL F CB 1 ? ? +17154 ATOM C CG1 . VAL F 6 12 ? 6.174 -79.513 -39.644 1.00 64.94 ? 23 VAL F CG1 1 ? ? +17155 ATOM C CG2 . VAL F 6 12 ? 6.311 -78.832 -37.240 1.00 64.66 ? 23 VAL F CG2 1 ? ? +17156 ATOM C C . VAL F 6 12 ? 3.796 -77.942 -40.058 1.00 64.16 ? 23 VAL F C 1 ? ? +17157 ATOM O O . VAL F 6 12 ? 4.174 -77.371 -41.071 1.00 63.34 ? 23 VAL F O 1 ? ? +17158 ATOM N N . HIS F 6 13 ? 2.713 -78.712 -40.034 1.00 65.29 ? 24 HIS F N 1 ? ? +17159 ATOM C CA . HIS F 6 13 ? 2.023 -79.081 -41.256 1.00 65.89 ? 24 HIS F CA 1 ? ? +17160 ATOM C CB . HIS F 6 13 ? 1.245 -80.409 -40.982 1.00 67.16 ? 24 HIS F CB 1 ? ? +17161 ATOM C CG . HIS F 6 13 ? 2.090 -81.627 -41.251 1.00 68.05 ? 24 HIS F CG 1 ? ? +17162 ATOM N ND1 . HIS F 6 13 ? 2.222 -82.082 -42.536 1.00 68.81 ? 24 HIS F ND1 1 ? ? +17163 ATOM C CE1 . HIS F 6 13 ? 3.034 -83.130 -42.497 1.00 69.12 ? 24 HIS F CE1 1 ? ? +17164 ATOM N NE2 . HIS F 6 13 ? 3.466 -83.379 -41.293 1.00 69.05 ? 24 HIS F NE2 1 ? ? +17165 ATOM C CD2 . HIS F 6 13 ? 2.855 -82.418 -40.449 1.00 68.27 ? 24 HIS F CD2 1 ? ? +17166 ATOM C C . HIS F 6 13 ? 1.207 -77.929 -41.862 1.00 65.32 ? 24 HIS F C 1 ? ? +17167 ATOM O O . HIS F 6 13 ? 1.095 -77.841 -43.081 1.00 65.65 ? 24 HIS F O 1 ? ? +17168 ATOM N N . THR F 6 14 ? 0.711 -76.992 -41.040 1.00 64.63 ? 25 THR F N 1 ? ? +17169 ATOM C CA . THR F 6 14 ? 0.002 -75.823 -41.553 1.00 63.89 ? 25 THR F CA 1 ? ? +17170 ATOM C CB . THR F 6 14 ? -0.766 -75.088 -40.448 1.00 63.66 ? 25 THR F CB 1 ? ? +17171 ATOM O OG1 . THR F 6 14 ? 0.145 -74.779 -39.415 1.00 63.56 ? 25 THR F OG1 1 ? ? +17172 ATOM C CG2 . THR F 6 14 ? -1.931 -75.895 -39.884 1.00 64.32 ? 25 THR F CG2 1 ? ? +17173 ATOM C C . THR F 6 14 ? 0.913 -74.830 -42.279 1.00 62.90 ? 25 THR F C 1 ? ? +17174 ATOM O O . THR F 6 14 ? 0.450 -74.084 -43.140 1.00 62.79 ? 25 THR F O 1 ? ? +17175 ATOM N N . LEU F 6 15 ? 2.201 -74.801 -41.929 1.00 62.06 ? 26 LEU F N 1 ? ? +17176 ATOM C CA . LEU F 6 15 ? 3.169 -74.026 -42.692 1.00 61.33 ? 26 LEU F CA 1 ? ? +17177 ATOM C CB . LEU F 6 15 ? 4.365 -73.609 -41.831 1.00 61.12 ? 26 LEU F CB 1 ? ? +17178 ATOM C CG . LEU F 6 15 ? 4.101 -72.595 -40.758 1.00 60.94 ? 26 LEU F CG 1 ? ? +17179 ATOM C CD1 . LEU F 6 15 ? 5.366 -72.268 -40.030 1.00 60.78 ? 26 LEU F CD1 1 ? ? +17180 ATOM C CD2 . LEU F 6 15 ? 3.489 -71.350 -41.321 1.00 60.58 ? 26 LEU F CD2 1 ? ? +17181 ATOM C C . LEU F 6 15 ? 3.705 -74.807 -43.887 1.00 61.13 ? 26 LEU F C 1 ? ? +17182 ATOM O O . LEU F 6 15 ? 3.806 -74.272 -44.989 1.00 60.78 ? 26 LEU F O 1 ? ? +17183 ATOM N N . ALA F 6 16 ? 4.050 -76.074 -43.645 1.00 61.42 ? 27 ALA F N 1 ? ? +17184 ATOM C CA . ALA F 6 16 ? 4.753 -76.894 -44.620 1.00 61.31 ? 27 ALA F CA 1 ? ? +17185 ATOM C CB . ALA F 6 16 ? 5.267 -78.149 -43.948 1.00 61.90 ? 27 ALA F CB 1 ? ? +17186 ATOM C C . ALA F 6 16 ? 3.900 -77.266 -45.831 1.00 61.32 ? 27 ALA F C 1 ? ? +17187 ATOM O O . ALA F 6 16 ? 4.394 -77.235 -46.954 1.00 60.98 ? 27 ALA F O 1 ? ? +17188 ATOM N N . VAL F 6 17 ? 2.624 -77.609 -45.597 1.00 61.49 ? 28 VAL F N 1 ? ? +17189 ATOM C CA . VAL F 6 17 ? 1.742 -78.053 -46.667 1.00 61.72 ? 28 VAL F CA 1 ? ? +17190 ATOM C CB . VAL F 6 17 ? 0.363 -78.547 -46.123 1.00 62.41 ? 28 VAL F CB 1 ? ? +17191 ATOM C CG1 . VAL F 6 17 ? -0.706 -78.615 -47.219 1.00 62.74 ? 28 VAL F CG1 1 ? ? +17192 ATOM C CG2 . VAL F 6 17 ? 0.504 -79.893 -45.430 1.00 63.15 ? 28 VAL F CG2 1 ? ? +17193 ATOM C C . VAL F 6 17 ? 1.594 -76.964 -47.727 1.00 60.96 ? 28 VAL F C 1 ? ? +17194 ATOM O O . VAL F 6 17 ? 1.871 -77.210 -48.898 1.00 61.14 ? 28 VAL F O 1 ? ? +17195 ATOM N N . PRO F 6 18 ? 1.149 -75.734 -47.379 1.00 60.07 ? 29 PRO F N 1 ? ? +17196 ATOM C CA . PRO F 6 18 ? 1.050 -74.656 -48.360 1.00 59.33 ? 29 PRO F CA 1 ? ? +17197 ATOM C CB . PRO F 6 18 ? 0.563 -73.474 -47.528 1.00 58.87 ? 29 PRO F CB 1 ? ? +17198 ATOM C CG . PRO F 6 18 ? -0.090 -74.071 -46.350 1.00 59.34 ? 29 PRO F CG 1 ? ? +17199 ATOM C CD . PRO F 6 18 ? 0.669 -75.319 -46.052 1.00 59.89 ? 29 PRO F CD 1 ? ? +17200 ATOM C C . PRO F 6 18 ? 2.370 -74.335 -49.048 1.00 58.64 ? 29 PRO F C 1 ? ? +17201 ATOM O O . PRO F 6 18 ? 2.386 -74.069 -50.243 1.00 58.52 ? 29 PRO F O 1 ? ? +17202 ATOM N N . THR F 6 19 ? 3.469 -74.358 -48.285 1.00 58.22 ? 30 THR F N 1 ? ? +17203 ATOM C CA . THR F 6 19 ? 4.766 -73.980 -48.819 1.00 57.63 ? 30 THR F CA 1 ? ? +17204 ATOM C CB . THR F 6 19 ? 5.860 -74.075 -47.759 1.00 57.42 ? 30 THR F CB 1 ? ? +17205 ATOM O OG1 . THR F 6 19 ? 5.606 -73.103 -46.734 1.00 56.94 ? 30 THR F OG1 1 ? ? +17206 ATOM C CG2 . THR F 6 19 ? 7.264 -73.834 -48.341 1.00 57.06 ? 30 THR F CG2 1 ? ? +17207 ATOM C C . THR F 6 19 ? 5.078 -74.811 -50.060 1.00 57.96 ? 30 THR F C 1 ? ? +17208 ATOM O O . THR F 6 19 ? 5.429 -74.255 -51.093 1.00 57.68 ? 30 THR F O 1 ? ? +17209 ATOM N N . ILE F 6 20 ? 4.914 -76.135 -49.963 1.00 58.64 ? 31 ILE F N 1 ? ? +17210 ATOM C CA . ILE F 6 20 ? 5.270 -77.027 -51.059 1.00 59.04 ? 31 ILE F CA 1 ? ? +17211 ATOM C CB . ILE F 6 20 ? 5.289 -78.513 -50.626 1.00 59.75 ? 31 ILE F CB 1 ? ? +17212 ATOM C CG1 . ILE F 6 20 ? 6.396 -78.793 -49.596 1.00 59.67 ? 31 ILE F CG1 1 ? ? +17213 ATOM C CG2 . ILE F 6 20 ? 5.439 -79.429 -51.812 1.00 60.27 ? 31 ILE F CG2 1 ? ? +17214 ATOM C CD1 . ILE F 6 20 ? 7.823 -78.349 -50.005 1.00 59.20 ? 31 ILE F CD1 1 ? ? +17215 ATOM C C . ILE F 6 20 ? 4.355 -76.795 -52.257 1.00 59.21 ? 31 ILE F C 1 ? ? +17216 ATOM O O . ILE F 6 20 ? 4.825 -76.735 -53.389 1.00 59.19 ? 31 ILE F O 1 ? ? +17217 ATOM N N . PHE F 6 21 ? 3.053 -76.644 -51.994 1.00 59.41 ? 32 PHE F N 1 ? ? +17218 ATOM C CA . PHE F 6 21 ? 2.088 -76.306 -53.029 1.00 59.49 ? 32 PHE F CA 1 ? ? +17219 ATOM C CB . PHE F 6 21 ? 0.695 -76.162 -52.405 1.00 59.74 ? 32 PHE F CB 1 ? ? +17220 ATOM C CG . PHE F 6 21 ? -0.418 -75.833 -53.358 1.00 59.97 ? 32 PHE F CG 1 ? ? +17221 ATOM C CD1 . PHE F 6 21 ? -0.665 -74.527 -53.735 1.00 59.47 ? 32 PHE F CD1 1 ? ? +17222 ATOM C CD2 . PHE F 6 21 ? -1.233 -76.829 -53.864 1.00 60.80 ? 32 PHE F CD2 1 ? ? +17223 ATOM C CE1 . PHE F 6 21 ? -1.716 -74.227 -54.606 1.00 59.77 ? 32 PHE F CE1 1 ? ? +17224 ATOM C CE2 . PHE F 6 21 ? -2.280 -76.526 -54.727 1.00 61.05 ? 32 PHE F CE2 1 ? ? +17225 ATOM C CZ . PHE F 6 21 ? -2.515 -75.229 -55.094 1.00 60.50 ? 32 PHE F CZ 1 ? ? +17226 ATOM C C . PHE F 6 21 ? 2.505 -75.035 -53.765 1.00 58.78 ? 32 PHE F C 1 ? ? +17227 ATOM O O . PHE F 6 21 ? 2.504 -74.997 -54.994 1.00 58.89 ? 32 PHE F O 1 ? ? +17228 ATOM N N . PHE F 6 22 ? 2.885 -74.002 -53.005 1.00 58.06 ? 33 PHE F N 1 ? ? +17229 ATOM C CA . PHE F 6 22 ? 3.288 -72.728 -53.582 1.00 57.38 ? 33 PHE F CA 1 ? ? +17230 ATOM C CB . PHE F 6 22 ? 3.479 -71.658 -52.501 1.00 56.64 ? 33 PHE F CB 1 ? ? +17231 ATOM C CG . PHE F 6 22 ? 2.229 -70.901 -52.164 1.00 56.43 ? 33 PHE F CG 1 ? ? +17232 ATOM C CD1 . PHE F 6 22 ? 1.073 -71.570 -51.766 1.00 56.90 ? 33 PHE F CD1 1 ? ? +17233 ATOM C CD2 . PHE F 6 22 ? 2.197 -69.522 -52.243 1.00 55.76 ? 33 PHE F CD2 1 ? ? +17234 ATOM C CE1 . PHE F 6 22 ? -0.082 -70.867 -51.462 1.00 56.75 ? 33 PHE F CE1 1 ? ? +17235 ATOM C CE2 . PHE F 6 22 ? 1.037 -68.826 -51.930 1.00 55.65 ? 33 PHE F CE2 1 ? ? +17236 ATOM C CZ . PHE F 6 22 ? -0.094 -69.506 -51.546 1.00 56.14 ? 33 PHE F CZ 1 ? ? +17237 ATOM C C . PHE F 6 22 ? 4.573 -72.823 -54.394 1.00 57.36 ? 33 PHE F C 1 ? ? +17238 ATOM O O . PHE F 6 22 ? 4.702 -72.147 -55.408 1.00 57.15 ? 33 PHE F O 1 ? ? +17239 ATOM N N . LEU F 6 23 ? 5.525 -73.634 -53.922 1.00 57.69 ? 34 LEU F N 1 ? ? +17240 ATOM C CA . LEU F 6 23 ? 6.780 -73.838 -54.629 1.00 57.80 ? 34 LEU F CA 1 ? ? +17241 ATOM C CB . LEU F 6 23 ? 7.738 -74.687 -53.780 1.00 58.12 ? 34 LEU F CB 1 ? ? +17242 ATOM C CG . LEU F 6 23 ? 8.432 -73.955 -52.643 1.00 57.74 ? 34 LEU F CG 1 ? ? +17243 ATOM C CD1 . LEU F 6 23 ? 9.372 -74.872 -51.890 1.00 58.07 ? 34 LEU F CD1 1 ? ? +17244 ATOM C CD2 . LEU F 6 23 ? 9.235 -72.757 -53.156 1.00 57.21 ? 34 LEU F CD2 1 ? ? +17245 ATOM C C . LEU F 6 23 ? 6.548 -74.505 -55.982 1.00 58.21 ? 34 LEU F C 1 ? ? +17246 ATOM O O . LEU F 6 23 ? 7.214 -74.172 -56.959 1.00 58.07 ? 34 LEU F O 1 ? ? +17247 ATOM N N . GLY F 6 24 ? 5.602 -75.449 -56.019 1.00 58.77 ? 35 GLY F N 1 ? ? +17248 ATOM C CA . GLY F 6 24 ? 5.198 -76.086 -57.261 1.00 59.27 ? 35 GLY F CA 1 ? ? +17249 ATOM C C . GLY F 6 24 ? 4.574 -75.099 -58.240 1.00 59.01 ? 35 GLY F C 1 ? ? +17250 ATOM O O . GLY F 6 24 ? 4.843 -75.156 -59.436 1.00 59.17 ? 35 GLY F O 1 ? ? +17251 ATOM N N . ALA F 6 25 ? 3.731 -74.205 -57.707 1.00 58.68 ? 36 ALA F N 1 ? ? +17252 ATOM C CA . ALA F 6 25 ? 3.096 -73.168 -58.503 1.00 58.37 ? 36 ALA F CA 1 ? ? +17253 ATOM C CB . ALA F 6 25 ? 2.088 -72.404 -57.667 1.00 58.14 ? 36 ALA F CB 1 ? ? +17254 ATOM C C . ALA F 6 25 ? 4.123 -72.205 -59.087 1.00 57.73 ? 36 ALA F C 1 ? ? +17255 ATOM O O . ALA F 6 25 ? 4.053 -71.861 -60.257 1.00 57.80 ? 36 ALA F O 1 ? ? +17256 ATOM N N . ILE F 6 26 ? 5.075 -71.773 -58.263 1.00 57.27 ? 37 ILE F N 1 ? ? +17257 ATOM C CA . ILE F 6 26 ? 6.080 -70.812 -58.697 1.00 56.73 ? 37 ILE F CA 1 ? ? +17258 ATOM C CB . ILE F 6 26 ? 6.798 -70.160 -57.481 1.00 56.08 ? 37 ILE F CB 1 ? ? +17259 ATOM C CG1 . ILE F 6 26 ? 5.789 -69.408 -56.577 1.00 55.76 ? 37 ILE F CG1 1 ? ? +17260 ATOM C CG2 . ILE F 6 26 ? 7.877 -69.210 -57.930 1.00 55.61 ? 37 ILE F CG2 1 ? ? +17261 ATOM C CD1 . ILE F 6 26 ? 6.319 -68.925 -55.270 1.00 55.25 ? 37 ILE F CD1 1 ? ? +17262 ATOM C C . ILE F 6 26 ? 7.040 -71.460 -59.693 1.00 57.01 ? 37 ILE F C 1 ? ? +17263 ATOM O O . ILE F 6 26 ? 7.425 -70.839 -60.675 1.00 56.88 ? 37 ILE F O 1 ? ? +17264 ATOM N N . ALA F 6 27 ? 7.394 -72.723 -59.459 1.00 57.57 ? 38 ALA F N 1 ? ? +17265 ATOM C CA . ALA F 6 27 ? 8.181 -73.476 -60.421 1.00 58.03 ? 38 ALA F CA 1 ? ? +17266 ATOM C CB . ALA F 6 27 ? 8.380 -74.897 -59.935 1.00 58.54 ? 38 ALA F CB 1 ? ? +17267 ATOM C C . ALA F 6 27 ? 7.524 -73.457 -61.803 1.00 58.53 ? 38 ALA F C 1 ? ? +17268 ATOM O O . ALA F 6 27 ? 8.184 -73.156 -62.799 1.00 58.56 ? 38 ALA F O 1 ? ? +17269 ATOM N N . ALA F 6 28 ? 6.217 -73.753 -61.846 1.00 59.04 ? 39 ALA F N 1 ? ? +17270 ATOM C CA . ALA F 6 28 ? 5.462 -73.791 -63.090 1.00 59.60 ? 39 ALA F CA 1 ? ? +17271 ATOM C CB . ALA F 6 28 ? 4.007 -74.177 -62.826 1.00 60.10 ? 39 ALA F CB 1 ? ? +17272 ATOM C C . ALA F 6 28 ? 5.498 -72.464 -63.837 1.00 59.35 ? 39 ALA F C 1 ? ? +17273 ATOM O O . ALA F 6 28 ? 5.558 -72.446 -65.063 1.00 59.72 ? 39 ALA F O 1 ? ? +17274 ATOM N N . MET F 6 29 ? 5.459 -71.362 -63.082 1.00 58.96 ? 40 MET F N 1 ? ? +17275 ATOM C CA . MET F 6 29 ? 5.424 -70.023 -63.645 1.00 58.67 ? 40 MET F CA 1 ? ? +17276 ATOM C CB . MET F 6 29 ? 5.285 -69.005 -62.509 1.00 58.11 ? 40 MET F CB 1 ? ? +17277 ATOM C CG . MET F 6 29 ? 3.911 -68.971 -61.859 1.00 58.30 ? 40 MET F CG 1 ? ? +17278 ATOM S SD . MET F 6 29 ? 3.955 -67.960 -60.352 1.00 57.78 ? 40 MET F SD 1 ? ? +17279 ATOM C CE . MET F 6 29 ? 2.504 -68.510 -59.505 1.00 58.12 ? 40 MET F CE 1 ? ? +17280 ATOM C C . MET F 6 29 ? 6.666 -69.677 -64.470 1.00 58.71 ? 40 MET F C 1 ? ? +17281 ATOM O O . MET F 6 29 ? 6.604 -68.817 -65.345 1.00 58.57 ? 40 MET F O 1 ? ? +17282 ATOM N N . GLN F 6 30 ? 7.794 -70.348 -64.196 1.00 58.93 ? 41 GLN F N 1 ? ? +17283 ATOM C CA . GLN F 6 30 ? 9.041 -70.046 -64.888 1.00 58.96 ? 41 GLN F CA 1 ? ? +17284 ATOM C CB . GLN F 6 30 ? 10.240 -70.743 -64.205 1.00 58.85 ? 41 GLN F CB 1 ? ? +17285 ATOM C CG . GLN F 6 30 ? 10.370 -70.516 -62.698 1.00 58.33 ? 41 GLN F CG 1 ? ? +17286 ATOM C CD . GLN F 6 30 ? 10.189 -69.083 -62.303 1.00 57.63 ? 41 GLN F CD 1 ? ? +17287 ATOM O OE1 . GLN F 6 30 ? 10.742 -68.170 -62.909 1.00 57.49 ? 41 GLN F OE1 1 ? ? +17288 ATOM N NE2 . GLN F 6 30 ? 9.410 -68.839 -61.281 1.00 57.36 ? 41 GLN F NE2 1 ? ? +17289 ATOM C C . GLN F 6 30 ? 9.021 -70.445 -66.367 1.00 59.74 ? 41 GLN F C 1 ? ? +17290 ATOM O O . GLN F 6 30 ? 9.884 -70.035 -67.137 1.00 59.51 ? 41 GLN F O 1 ? ? +17291 ATOM N N . PHE F 6 31 ? 8.023 -71.241 -66.763 1.00 60.92 ? 42 PHE F N 1 ? ? +17292 ATOM C CA . PHE F 6 31 ? 7.847 -71.653 -68.147 1.00 61.76 ? 42 PHE F CA 1 ? ? +17293 ATOM C CB . PHE F 6 31 ? 7.607 -73.166 -68.172 1.00 62.70 ? 42 PHE F CB 1 ? ? +17294 ATOM C CG . PHE F 6 31 ? 8.768 -73.916 -67.568 1.00 63.08 ? 42 PHE F CG 1 ? ? +17295 ATOM C CD1 . PHE F 6 31 ? 9.939 -74.122 -68.293 1.00 63.36 ? 42 PHE F CD1 1 ? ? +17296 ATOM C CD2 . PHE F 6 31 ? 8.719 -74.363 -66.256 1.00 63.16 ? 42 PHE F CD2 1 ? ? +17297 ATOM C CE1 . PHE F 6 31 ? 11.018 -74.794 -67.725 1.00 63.33 ? 42 PHE F CE1 1 ? ? +17298 ATOM C CE2 . PHE F 6 31 ? 9.803 -75.028 -65.689 1.00 63.20 ? 42 PHE F CE2 1 ? ? +17299 ATOM C CZ . PHE F 6 31 ? 10.943 -75.243 -66.429 1.00 63.36 ? 42 PHE F CZ 1 ? ? +17300 ATOM C C . PHE F 6 31 ? 6.727 -70.919 -68.885 1.00 61.79 ? 42 PHE F C 1 ? ? +17301 ATOM O O . PHE F 6 31 ? 6.435 -71.253 -70.027 1.00 62.05 ? 42 PHE F O 1 ? ? +17302 ATOM N N . ILE F 6 32 ? 6.128 -69.905 -68.245 1.00 61.66 ? 43 ILE F N 1 ? ? +17303 ATOM C CA . ILE F 6 32 ? 5.098 -69.104 -68.889 1.00 62.22 ? 43 ILE F CA 1 ? ? +17304 ATOM C CB . ILE F 6 32 ? 4.177 -68.388 -67.864 1.00 61.57 ? 43 ILE F CB 1 ? ? +17305 ATOM C CG1 . ILE F 6 32 ? 3.411 -69.395 -66.981 1.00 61.79 ? 43 ILE F CG1 1 ? ? +17306 ATOM C CG2 . ILE F 6 32 ? 3.211 -67.449 -68.554 1.00 61.40 ? 43 ILE F CG2 1 ? ? +17307 ATOM C CD1 . ILE F 6 32 ? 2.749 -68.764 -65.756 1.00 61.45 ? 43 ILE F CD1 1 ? ? +17308 ATOM C C . ILE F 6 32 ? 5.756 -68.119 -69.854 1.00 62.75 ? 43 ILE F C 1 ? ? +17309 ATOM O O . ILE F 6 32 ? 6.725 -67.451 -69.497 1.00 62.05 ? 43 ILE F O 1 ? ? +17310 ATOM N N . GLN F 6 33 ? 5.214 -68.057 -71.076 1.00 64.20 ? 44 GLN F N 1 ? ? +17311 ATOM C CA . GLN F 6 33 ? 5.654 -67.138 -72.112 1.00 65.14 ? 44 GLN F CA 1 ? ? +17312 ATOM C CB . GLN F 6 33 ? 5.813 -67.872 -73.449 1.00 66.66 ? 44 GLN F CB 1 ? ? +17313 ATOM C CG . GLN F 6 33 ? 6.905 -68.912 -73.502 1.00 67.67 ? 44 GLN F CG 1 ? ? +17314 ATOM C CD . GLN F 6 33 ? 8.283 -68.312 -73.578 1.00 68.11 ? 44 GLN F CD 1 ? ? +17315 ATOM O OE1 . GLN F 6 33 ? 8.504 -67.078 -73.555 1.00 68.47 ? 44 GLN F OE1 1 ? ? +17316 ATOM N NE2 . GLN F 6 33 ? 9.244 -69.186 -73.662 1.00 68.86 ? 44 GLN F NE2 1 ? ? +17317 ATOM C C . GLN F 6 33 ? 4.594 -66.064 -72.296 1.00 65.62 ? 44 GLN F C 1 ? ? +17318 ATOM O O . GLN F 6 33 ? 3.428 -66.324 -72.027 1.00 67.43 ? 44 GLN F O 1 ? ? +17319 ATOM N N . ARG F 6 34 ? 4.993 -64.876 -72.762 1.00 65.68 ? 45 ARG F N 1 ? ? +17320 ATOM C CA . ARG F 6 34 ? 4.029 -63.864 -73.164 1.00 65.91 ? 45 ARG F CA 1 ? ? +17321 ATOM C CB . ARG F 6 34 ? 4.590 -62.437 -72.967 1.00 64.53 ? 45 ARG F CB 1 ? ? +17322 ATOM C CG . ARG F 6 34 ? 5.731 -62.055 -73.890 1.00 63.98 ? 45 ARG F CG 1 ? ? +17323 ATOM C CD . ARG F 6 34 ? 6.304 -60.707 -73.521 1.00 62.87 ? 45 ARG F CD 1 ? ? +17324 ATOM N NE . ARG F 6 34 ? 7.261 -60.223 -74.505 1.00 62.30 ? 45 ARG F NE 1 ? ? +17325 ATOM C CZ . ARG F 6 34 ? 6.955 -59.802 -75.722 1.00 62.53 ? 45 ARG F CZ 1 ? ? +17326 ATOM N NH1 . ARG F 6 34 ? 5.703 -59.587 -76.093 1.00 62.64 ? 45 ARG F NH1 1 ? ? +17327 ATOM N NH2 . ARG F 6 34 ? 7.938 -59.557 -76.582 1.00 62.87 ? 45 ARG F NH2 1 ? ? +17328 ATOM C C . ARG F 6 34 ? 3.642 -64.164 -74.615 1.00 67.69 ? 45 ARG F C 1 ? ? +17329 ATOM O O . ARG F 6 34 ? 2.624 -63.689 -75.124 1.00 71.58 ? 45 ARG F O 1 ? ? +17330 ATOM O OXT . ARG F 6 34 ? 4.348 -64.922 -75.273 1.00 68.00 ? 45 ARG F OXT 1 ? ? +17331 ATOM N N . ALA G 7 1 ? -6.155 -40.937 13.716 1.00 72.16 ? 2 ALA H N 1 ? ? +17332 ATOM C CA . ALA G 7 1 ? -6.625 -40.125 12.607 1.00 71.22 ? 2 ALA H CA 1 ? ? +17333 ATOM C CB . ALA G 7 1 ? -7.282 -41.008 11.563 1.00 70.96 ? 2 ALA H CB 1 ? ? +17334 ATOM C C . ALA G 7 1 ? -7.592 -39.078 13.146 1.00 71.85 ? 2 ALA H C 1 ? ? +17335 ATOM O O . ALA G 7 1 ? -7.997 -39.154 14.300 1.00 73.11 ? 2 ALA H O 1 ? ? +17336 ATOM N N . ARG G 7 2 ? -7.978 -38.118 12.297 1.00 71.37 ? 3 ARG H N 1 ? ? +17337 ATOM C CA . ARG G 7 2 ? -8.834 -37.021 12.711 1.00 71.74 ? 3 ARG H CA 1 ? ? +17338 ATOM C CB . ARG G 7 2 ? -8.263 -35.715 12.188 1.00 73.25 ? 3 ARG H CB 1 ? ? +17339 ATOM C CG . ARG G 7 2 ? -8.947 -34.483 12.787 1.00 76.73 ? 3 ARG H CG 1 ? ? +17340 ATOM C CD . ARG G 7 2 ? -8.364 -33.184 12.260 1.00 78.80 ? 3 ARG H CD 1 ? ? +17341 ATOM N NE . ARG G 7 2 ? -6.913 -33.264 12.092 1.00 81.51 ? 3 ARG H NE 1 ? ? +17342 ATOM C CZ . ARG G 7 2 ? -6.014 -32.732 12.910 1.00 83.78 ? 3 ARG H CZ 1 ? ? +17343 ATOM N NH1 . ARG G 7 2 ? -6.371 -32.059 13.992 1.00 85.90 ? 3 ARG H NH1 1 ? ? +17344 ATOM N NH2 . ARG G 7 2 ? -4.721 -32.889 12.640 1.00 84.18 ? 3 ARG H NH2 1 ? ? +17345 ATOM C C . ARG G 7 2 ? -10.267 -37.217 12.220 1.00 69.86 ? 3 ARG H C 1 ? ? +17346 ATOM O O . ARG G 7 2 ? -10.504 -37.438 11.038 1.00 68.45 ? 3 ARG H O 1 ? ? +17347 ATOM N N . ARG G 7 3 ? -11.222 -37.174 13.151 1.00 69.70 ? 4 ARG H N 1 ? ? +17348 ATOM C CA . ARG G 7 3 ? -12.627 -37.281 12.790 1.00 69.59 ? 4 ARG H CA 1 ? ? +17349 ATOM C CB . ARG G 7 3 ? -13.456 -37.936 13.886 1.00 70.72 ? 4 ARG H CB 1 ? ? +17350 ATOM C CG . ARG G 7 3 ? -13.228 -39.441 13.939 1.00 71.59 ? 4 ARG H CG 1 ? ? +17351 ATOM C CD . ARG G 7 3 ? -13.955 -40.113 15.075 1.00 73.22 ? 4 ARG H CD 1 ? ? +17352 ATOM N NE . ARG G 7 3 ? -15.401 -39.947 14.969 1.00 74.56 ? 4 ARG H NE 1 ? ? +17353 ATOM C CZ . ARG G 7 3 ? -16.230 -39.882 16.004 1.00 75.96 ? 4 ARG H CZ 1 ? ? +17354 ATOM N NH1 . ARG G 7 3 ? -15.779 -39.894 17.248 1.00 77.12 ? 4 ARG H NH1 1 ? ? +17355 ATOM N NH2 . ARG G 7 3 ? -17.541 -39.825 15.789 1.00 75.92 ? 4 ARG H NH2 1 ? ? +17356 ATOM C C . ARG G 7 3 ? -13.146 -35.892 12.452 1.00 68.44 ? 4 ARG H C 1 ? ? +17357 ATOM O O . ARG G 7 3 ? -12.690 -34.913 13.029 1.00 68.10 ? 4 ARG H O 1 ? ? +17358 ATOM N N . THR G 7 4 ? -14.042 -35.832 11.459 1.00 67.89 ? 5 THR H N 1 ? ? +17359 ATOM C CA . THR G 7 4 ? -14.759 -34.620 11.100 1.00 67.16 ? 5 THR H CA 1 ? ? +17360 ATOM C CB . THR G 7 4 ? -14.219 -33.975 9.823 1.00 66.26 ? 5 THR H CB 1 ? ? +17361 ATOM O OG1 . THR G 7 4 ? -14.695 -34.692 8.686 1.00 65.91 ? 5 THR H OG1 1 ? ? +17362 ATOM C CG2 . THR G 7 4 ? -12.671 -33.919 9.787 1.00 65.89 ? 5 THR H CG2 1 ? ? +17363 ATOM C C . THR G 7 4 ? -16.226 -34.985 10.927 1.00 67.42 ? 5 THR H C 1 ? ? +17364 ATOM O O . THR G 7 4 ? -16.567 -36.157 10.810 1.00 67.75 ? 5 THR H O 1 ? ? +17365 ATOM N N . TRP G 7 5 ? -17.082 -33.962 10.920 1.00 67.66 ? 6 TRP H N 1 ? ? +17366 ATOM C CA . TRP G 7 5 ? -18.512 -34.144 10.728 1.00 68.01 ? 6 TRP H CA 1 ? ? +17367 ATOM C CB . TRP G 7 5 ? -19.232 -32.781 10.834 1.00 68.96 ? 6 TRP H CB 1 ? ? +17368 ATOM C CG . TRP G 7 5 ? -20.628 -32.751 10.291 1.00 71.20 ? 6 TRP H CG 1 ? ? +17369 ATOM C CD1 . TRP G 7 5 ? -21.753 -33.297 10.849 1.00 72.84 ? 6 TRP H CD1 1 ? ? +17370 ATOM N NE1 . TRP G 7 5 ? -22.842 -33.059 10.043 1.00 73.63 ? 6 TRP H NE1 1 ? ? +17371 ATOM C CE2 . TRP G 7 5 ? -22.433 -32.352 8.937 1.00 73.25 ? 6 TRP H CE2 1 ? ? +17372 ATOM C CZ2 . TRP G 7 5 ? -23.164 -31.876 7.837 1.00 73.66 ? 6 TRP H CZ2 1 ? ? +17373 ATOM C CH2 . TRP G 7 5 ? -22.464 -31.195 6.861 1.00 73.15 ? 6 TRP H CH2 1 ? ? +17374 ATOM C CZ3 . TRP G 7 5 ? -21.083 -30.977 6.967 1.00 71.82 ? 6 TRP H CZ3 1 ? ? +17375 ATOM C CE3 . TRP G 7 5 ? -20.368 -31.437 8.058 1.00 71.36 ? 6 TRP H CE3 1 ? ? +17376 ATOM C CD2 . TRP G 7 5 ? -21.041 -32.145 9.063 1.00 71.70 ? 6 TRP H CD2 1 ? ? +17377 ATOM C C . TRP G 7 5 ? -18.749 -34.851 9.395 1.00 66.65 ? 6 TRP H C 1 ? ? +17378 ATOM O O . TRP G 7 5 ? -19.420 -35.874 9.345 1.00 67.42 ? 6 TRP H O 1 ? ? +17379 ATOM N N . LEU G 7 6 ? -18.150 -34.328 8.323 1.00 65.02 ? 7 LEU H N 1 ? ? +17380 ATOM C CA . LEU G 7 6 ? -18.350 -34.874 6.990 1.00 64.41 ? 7 LEU H CA 1 ? ? +17381 ATOM C CB . LEU G 7 6 ? -17.749 -33.911 5.951 1.00 63.37 ? 7 LEU H CB 1 ? ? +17382 ATOM C CG . LEU G 7 6 ? -17.954 -34.295 4.489 1.00 63.02 ? 7 LEU H CG 1 ? ? +17383 ATOM C CD1 . LEU G 7 6 ? -19.352 -34.106 4.078 1.00 63.51 ? 7 LEU H CD1 1 ? ? +17384 ATOM C CD2 . LEU G 7 6 ? -17.079 -33.509 3.583 1.00 62.02 ? 7 LEU H CD2 1 ? ? +17385 ATOM C C . LEU G 7 6 ? -17.758 -36.281 6.863 1.00 64.50 ? 7 LEU H C 1 ? ? +17386 ATOM O O . LEU G 7 6 ? -18.366 -37.166 6.265 1.00 64.82 ? 7 LEU H O 1 ? ? +17387 ATOM N N . GLY G 7 7 ? -16.571 -36.491 7.448 1.00 64.10 ? 8 GLY H N 1 ? ? +17388 ATOM C CA . GLY G 7 7 ? -15.984 -37.818 7.530 1.00 63.95 ? 8 GLY H CA 1 ? ? +17389 ATOM C C . GLY G 7 7 ? -16.892 -38.873 8.164 1.00 64.48 ? 8 GLY H C 1 ? ? +17390 ATOM O O . GLY G 7 7 ? -16.974 -39.994 7.675 1.00 64.38 ? 8 GLY H O 1 ? ? +17391 ATOM N N . ASP G 7 8 ? -17.560 -38.508 9.263 1.00 65.05 ? 9 ASP H N 1 ? ? +17392 ATOM C CA . ASP G 7 8 ? -18.485 -39.398 9.951 1.00 65.92 ? 9 ASP H CA 1 ? ? +17393 ATOM C CB . ASP G 7 8 ? -18.951 -38.770 11.271 1.00 66.67 ? 9 ASP H CB 1 ? ? +17394 ATOM C CG . ASP G 7 8 ? -17.886 -38.758 12.362 1.00 67.04 ? 9 ASP H CG 1 ? ? +17395 ATOM O OD1 . ASP G 7 8 ? -16.974 -39.590 12.309 1.00 67.18 ? 9 ASP H OD1 1 ? ? +17396 ATOM O OD2 . ASP G 7 8 ? -17.962 -37.906 13.254 1.00 67.49 ? 9 ASP H OD2 1 ? ? +17397 ATOM C C . ASP G 7 8 ? -19.689 -39.754 9.083 1.00 65.82 ? 9 ASP H C 1 ? ? +17398 ATOM O O . ASP G 7 8 ? -20.125 -40.900 9.083 1.00 66.10 ? 9 ASP H O 1 ? ? +17399 ATOM N N . ILE G 7 9 ? -20.202 -38.769 8.336 1.00 65.28 ? 10 ILE H N 1 ? ? +17400 ATOM C CA . ILE G 7 9 ? -21.275 -38.997 7.380 1.00 65.51 ? 10 ILE H CA 1 ? ? +17401 ATOM C CB . ILE G 7 9 ? -21.775 -37.636 6.806 1.00 65.75 ? 10 ILE H CB 1 ? ? +17402 ATOM C CG1 . ILE G 7 9 ? -22.523 -36.821 7.871 1.00 66.69 ? 10 ILE H CG1 1 ? ? +17403 ATOM C CG2 . ILE G 7 9 ? -22.657 -37.829 5.568 1.00 65.93 ? 10 ILE H CG2 1 ? ? +17404 ATOM C CD1 . ILE G 7 9 ? -22.887 -35.363 7.391 1.00 66.48 ? 10 ILE H CD1 1 ? ? +17405 ATOM C C . ILE G 7 9 ? -20.859 -39.961 6.268 1.00 64.48 ? 10 ILE H C 1 ? ? +17406 ATOM O O . ILE G 7 9 ? -21.603 -40.876 5.925 1.00 64.74 ? 10 ILE H O 1 ? ? +17407 ATOM N N . LEU G 7 10 ? -19.671 -39.746 5.690 1.00 63.00 ? 11 LEU H N 1 ? ? +17408 ATOM C CA . LEU G 7 10 ? -19.222 -40.549 4.565 1.00 62.28 ? 11 LEU H CA 1 ? ? +17409 ATOM C CB . LEU G 7 10 ? -18.197 -39.766 3.760 1.00 61.34 ? 11 LEU H CB 1 ? ? +17410 ATOM C CG . LEU G 7 10 ? -18.777 -38.530 3.048 1.00 61.02 ? 11 LEU H CG 1 ? ? +17411 ATOM C CD1 . LEU G 7 10 ? -17.687 -37.695 2.438 1.00 60.02 ? 11 LEU H CD1 1 ? ? +17412 ATOM C CD2 . LEU G 7 10 ? -19.796 -38.929 1.983 1.00 61.19 ? 11 LEU H CD2 1 ? ? +17413 ATOM C C . LEU G 7 10 ? -18.637 -41.902 4.953 1.00 62.27 ? 11 LEU H C 1 ? ? +17414 ATOM O O . LEU G 7 10 ? -18.423 -42.739 4.085 1.00 62.09 ? 11 LEU H O 1 ? ? +17415 ATOM N N . ARG G 7 11 ? -18.415 -42.120 6.255 1.00 62.52 ? 12 ARG H N 1 ? ? +17416 ATOM C CA . ARG G 7 11 ? -17.766 -43.322 6.760 1.00 62.71 ? 12 ARG H CA 1 ? ? +17417 ATOM C CB . ARG G 7 11 ? -17.891 -43.340 8.307 1.00 63.68 ? 12 ARG H CB 1 ? ? +17418 ATOM C CG . ARG G 7 11 ? -17.453 -44.634 9.020 1.00 64.57 ? 12 ARG H CG 1 ? ? +17419 ATOM C CD . ARG G 7 11 ? -15.972 -44.753 9.203 1.00 64.40 ? 12 ARG H CD 1 ? ? +17420 ATOM N NE . ARG G 7 11 ? -15.279 -44.954 7.933 1.00 64.06 ? 12 ARG H NE 1 ? ? +17421 ATOM C CZ . ARG G 7 11 ? -13.961 -45.057 7.794 1.00 63.63 ? 12 ARG H CZ 1 ? ? +17422 ATOM N NH1 . ARG G 7 11 ? -13.136 -44.869 8.816 1.00 63.73 ? 12 ARG H NH1 1 ? ? +17423 ATOM N NH2 . ARG G 7 11 ? -13.462 -45.375 6.603 1.00 63.01 ? 12 ARG H NH2 1 ? ? +17424 ATOM C C . ARG G 7 11 ? -18.265 -44.629 6.139 1.00 62.76 ? 12 ARG H C 1 ? ? +17425 ATOM O O . ARG G 7 11 ? -17.452 -45.447 5.709 1.00 62.38 ? 12 ARG H O 1 ? ? +17426 ATOM N N . PRO G 7 12 ? -19.596 -44.899 6.091 1.00 63.17 ? 13 PRO H N 1 ? ? +17427 ATOM C CA . PRO G 7 12 ? -20.101 -46.150 5.515 1.00 63.41 ? 13 PRO H CA 1 ? ? +17428 ATOM C CB . PRO G 7 12 ? -21.629 -45.998 5.644 1.00 64.09 ? 13 PRO H CB 1 ? ? +17429 ATOM C CG . PRO G 7 12 ? -21.826 -44.990 6.723 1.00 64.27 ? 13 PRO H CG 1 ? ? +17430 ATOM C CD . PRO G 7 12 ? -20.686 -44.042 6.599 1.00 63.46 ? 13 PRO H CD 1 ? ? +17431 ATOM C C . PRO G 7 12 ? -19.667 -46.399 4.069 1.00 62.62 ? 13 PRO H C 1 ? ? +17432 ATOM O O . PRO G 7 12 ? -19.449 -47.540 3.669 1.00 62.58 ? 13 PRO H O 1 ? ? +17433 ATOM N N . LEU G 7 13 ? -19.525 -45.322 3.291 1.00 61.91 ? 14 LEU H N 1 ? ? +17434 ATOM C CA . LEU G 7 13 ? -19.177 -45.434 1.885 1.00 61.40 ? 14 LEU H CA 1 ? ? +17435 ATOM C CB . LEU G 7 13 ? -19.442 -44.100 1.181 1.00 60.85 ? 14 LEU H CB 1 ? ? +17436 ATOM C CG . LEU G 7 13 ? -20.873 -43.530 1.299 1.00 61.37 ? 14 LEU H CG 1 ? ? +17437 ATOM C CD1 . LEU G 7 13 ? -21.006 -42.294 0.431 1.00 60.76 ? 14 LEU H CD1 1 ? ? +17438 ATOM C CD2 . LEU G 7 13 ? -21.923 -44.563 0.942 1.00 62.00 ? 14 LEU H CD2 1 ? ? +17439 ATOM C C . LEU G 7 13 ? -17.724 -45.831 1.633 1.00 60.98 ? 14 LEU H C 1 ? ? +17440 ATOM O O . LEU G 7 13 ? -17.345 -46.070 0.490 1.00 60.67 ? 14 LEU H O 1 ? ? +17441 ATOM N N . ASN G 7 14 ? -16.901 -45.870 2.689 1.00 61.08 ? 15 ASN H N 1 ? ? +17442 ATOM C CA . ASN G 7 14 ? -15.539 -46.368 2.562 1.00 60.62 ? 15 ASN H CA 1 ? ? +17443 ATOM C CB . ASN G 7 14 ? -14.520 -45.241 2.532 1.00 59.69 ? 15 ASN H CB 1 ? ? +17444 ATOM C CG . ASN G 7 14 ? -13.126 -45.723 2.147 1.00 59.30 ? 15 ASN H CG 1 ? ? +17445 ATOM O OD1 . ASN G 7 14 ? -12.952 -46.495 1.211 1.00 59.18 ? 15 ASN H OD1 1 ? ? +17446 ATOM N ND2 . ASN G 7 14 ? -12.090 -45.299 2.862 1.00 59.00 ? 15 ASN H ND2 1 ? ? +17447 ATOM C C . ASN G 7 14 ? -15.247 -47.338 3.701 1.00 61.34 ? 15 ASN H C 1 ? ? +17448 ATOM O O . ASN G 7 14 ? -14.238 -47.200 4.395 1.00 61.42 ? 15 ASN H O 1 ? ? +17449 ATOM N N . SER G 7 15 ? -16.128 -48.331 3.865 1.00 61.84 ? 16 SER H N 1 ? ? +17450 ATOM C CA . SER G 7 15 ? -16.003 -49.286 4.946 1.00 62.52 ? 16 SER H CA 1 ? ? +17451 ATOM C CB . SER G 7 15 ? -17.153 -49.086 5.913 1.00 63.36 ? 16 SER H CB 1 ? ? +17452 ATOM O OG . SER G 7 15 ? -18.369 -49.463 5.283 1.00 63.92 ? 16 SER H OG 1 ? ? +17453 ATOM C C . SER G 7 15 ? -15.962 -50.752 4.512 1.00 62.87 ? 16 SER H C 1 ? ? +17454 ATOM O O . SER G 7 15 ? -15.821 -51.630 5.355 1.00 63.39 ? 16 SER H O 1 ? ? +17455 ATOM N N . GLU G 7 16 ? -16.071 -51.025 3.207 1.00 62.59 ? 17 GLU H N 1 ? ? +17456 ATOM C CA . GLU G 7 16 ? -16.102 -52.399 2.733 1.00 63.00 ? 17 GLU H CA 1 ? ? +17457 ATOM C CB . GLU G 7 16 ? -17.387 -52.642 1.947 1.00 63.49 ? 17 GLU H CB 1 ? ? +17458 ATOM C CG . GLU G 7 16 ? -18.637 -52.381 2.761 1.00 64.37 ? 17 GLU H CG 1 ? ? +17459 ATOM C CD . GLU G 7 16 ? -19.867 -52.940 2.107 1.00 65.09 ? 17 GLU H CD 1 ? ? +17460 ATOM O OE1 . GLU G 7 16 ? -20.322 -52.357 1.099 1.00 64.87 ? 17 GLU H OE1 1 ? ? +17461 ATOM O OE2 . GLU G 7 16 ? -20.343 -53.999 2.569 1.00 66.20 ? 17 GLU H OE2 1 ? ? +17462 ATOM C C . GLU G 7 16 ? -14.886 -52.751 1.882 1.00 62.28 ? 17 GLU H C 1 ? ? +17463 ATOM O O . GLU G 7 16 ? -14.974 -53.559 0.960 1.00 62.06 ? 17 GLU H O 1 ? ? +17464 ATOM N N . TYR G 7 17 ? -13.736 -52.162 2.217 1.00 61.85 ? 18 TYR H N 1 ? ? +17465 ATOM C CA . TYR G 7 17 ? -12.503 -52.499 1.532 1.00 61.38 ? 18 TYR H CA 1 ? ? +17466 ATOM C CB . TYR G 7 17 ? -11.295 -51.927 2.258 1.00 61.14 ? 18 TYR H CB 1 ? ? +17467 ATOM C CG . TYR G 7 17 ? -9.993 -52.279 1.574 1.00 60.67 ? 18 TYR H CG 1 ? ? +17468 ATOM C CD1 . TYR G 7 17 ? -9.649 -51.703 0.365 1.00 60.09 ? 18 TYR H CD1 1 ? ? +17469 ATOM C CD2 . TYR G 7 17 ? -9.122 -53.207 2.123 1.00 60.99 ? 18 TYR H CD2 1 ? ? +17470 ATOM C CE1 . TYR G 7 17 ? -8.457 -52.013 -0.274 1.00 59.76 ? 18 TYR H CE1 1 ? ? +17471 ATOM C CE2 . TYR G 7 17 ? -7.925 -53.533 1.492 1.00 60.69 ? 18 TYR H CE2 1 ? ? +17472 ATOM C CZ . TYR G 7 17 ? -7.594 -52.930 0.291 1.00 60.11 ? 18 TYR H CZ 1 ? ? +17473 ATOM O OH . TYR G 7 17 ? -6.426 -53.198 -0.394 1.00 59.88 ? 18 TYR H OH 1 ? ? +17474 ATOM C C . TYR G 7 17 ? -12.342 -54.012 1.444 1.00 61.90 ? 18 TYR H C 1 ? ? +17475 ATOM O O . TYR G 7 17 ? -12.458 -54.703 2.452 1.00 62.46 ? 18 TYR H O 1 ? ? +17476 ATOM N N . GLY G 7 18 ? -12.085 -54.512 0.230 1.00 61.71 ? 19 GLY H N 1 ? ? +17477 ATOM C CA . GLY G 7 18 ? -11.691 -55.896 0.039 1.00 62.21 ? 19 GLY H CA 1 ? ? +17478 ATOM C C . GLY G 7 18 ? -12.835 -56.901 -0.001 1.00 63.35 ? 19 GLY H C 1 ? ? +17479 ATOM O O . GLY G 7 18 ? -12.588 -58.093 -0.205 1.00 64.15 ? 19 GLY H O 1 ? ? +17480 ATOM N N . LYS G 7 19 ? -14.078 -56.424 0.186 1.00 63.80 ? 20 LYS H N 1 ? ? +17481 ATOM C CA . LYS G 7 19 ? -15.227 -57.315 0.272 1.00 64.72 ? 20 LYS H CA 1 ? ? +17482 ATOM C CB . LYS G 7 19 ? -16.405 -56.646 1.006 1.00 65.51 ? 20 LYS H CB 1 ? ? +17483 ATOM C CG . LYS G 7 19 ? -17.542 -57.628 1.275 1.00 67.14 ? 20 LYS H CG 1 ? ? +17484 ATOM C CD . LYS G 7 19 ? -18.691 -57.095 2.172 1.00 68.17 ? 20 LYS H CD 1 ? ? +17485 ATOM C CE . LYS G 7 19 ? -19.643 -58.221 2.487 1.00 69.68 ? 20 LYS H CE 1 ? ? +17486 ATOM N NZ . LYS G 7 19 ? -20.818 -57.760 3.276 1.00 70.81 ? 20 LYS H NZ 1 ? ? +17487 ATOM C C . LYS G 7 19 ? -15.593 -57.779 -1.141 1.00 64.11 ? 20 LYS H C 1 ? ? +17488 ATOM O O . LYS G 7 19 ? -15.724 -56.955 -2.038 1.00 63.30 ? 20 LYS H O 1 ? ? +17489 ATOM N N . VAL G 7 20 ? -15.715 -59.104 -1.328 1.00 64.45 ? 21 VAL H N 1 ? ? +17490 ATOM C CA . VAL G 7 20 ? -15.973 -59.697 -2.632 1.00 64.25 ? 21 VAL H CA 1 ? ? +17491 ATOM C CB . VAL G 7 20 ? -14.741 -60.478 -3.163 1.00 63.81 ? 21 VAL H CB 1 ? ? +17492 ATOM C CG1 . VAL G 7 20 ? -13.586 -59.543 -3.446 1.00 62.78 ? 21 VAL H CG1 1 ? ? +17493 ATOM C CG2 . VAL G 7 20 ? -14.325 -61.603 -2.218 1.00 64.45 ? 21 VAL H CG2 1 ? ? +17494 ATOM C C . VAL G 7 20 ? -17.191 -60.616 -2.596 1.00 65.14 ? 21 VAL H C 1 ? ? +17495 ATOM O O . VAL G 7 20 ? -17.603 -61.061 -1.535 1.00 65.87 ? 21 VAL H O 1 ? ? +17496 ATOM N N . ALA G 7 21 ? -17.752 -60.883 -3.778 1.00 65.14 ? 22 ALA H N 1 ? ? +17497 ATOM C CA . ALA G 7 21 ? -18.741 -61.929 -3.971 1.00 66.05 ? 22 ALA H CA 1 ? ? +17498 ATOM C CB . ALA G 7 21 ? -19.654 -61.572 -5.129 1.00 65.97 ? 22 ALA H CB 1 ? ? +17499 ATOM C C . ALA G 7 21 ? -18.024 -63.250 -4.245 1.00 66.20 ? 22 ALA H C 1 ? ? +17500 ATOM O O . ALA G 7 21 ? -16.992 -63.266 -4.902 1.00 65.56 ? 22 ALA H O 1 ? ? +17501 ATOM N N . PRO G 7 22 ? -18.537 -64.410 -3.778 1.00 67.19 ? 23 PRO H N 1 ? ? +17502 ATOM C CA . PRO G 7 22 ? -17.855 -65.689 -4.008 1.00 67.40 ? 23 PRO H CA 1 ? ? +17503 ATOM C CB . PRO G 7 22 ? -18.766 -66.697 -3.287 1.00 68.63 ? 23 PRO H CB 1 ? ? +17504 ATOM C CG . PRO G 7 22 ? -19.600 -65.877 -2.338 1.00 68.93 ? 23 PRO H CG 1 ? ? +17505 ATOM C CD . PRO G 7 22 ? -19.783 -64.560 -3.005 1.00 68.10 ? 23 PRO H CD 1 ? ? +17506 ATOM C C . PRO G 7 22 ? -17.686 -66.069 -5.480 1.00 66.92 ? 23 PRO H C 1 ? ? +17507 ATOM O O . PRO G 7 22 ? -18.583 -65.850 -6.290 1.00 66.97 ? 23 PRO H O 1 ? ? +17508 ATOM N N . GLY G 7 23 ? -16.521 -66.640 -5.815 1.00 66.45 ? 24 GLY H N 1 ? ? +17509 ATOM C CA . GLY G 7 23 ? -16.287 -67.231 -7.125 1.00 66.07 ? 24 GLY H CA 1 ? ? +17510 ATOM C C . GLY G 7 23 ? -16.402 -66.267 -8.306 1.00 65.10 ? 24 GLY H C 1 ? ? +17511 ATOM O O . GLY G 7 23 ? -15.830 -65.182 -8.290 1.00 64.22 ? 24 GLY H O 1 ? ? +17512 ATOM N N . TRP G 7 24 ? -17.158 -66.685 -9.327 1.00 65.30 ? 25 TRP H N 1 ? ? +17513 ATOM C CA . TRP G 7 24 ? -17.355 -65.926 -10.551 1.00 64.59 ? 25 TRP H CA 1 ? ? +17514 ATOM C CB . TRP G 7 24 ? -17.706 -66.891 -11.675 1.00 65.06 ? 25 TRP H CB 1 ? ? +17515 ATOM C CG . TRP G 7 24 ? -16.576 -67.778 -12.081 1.00 65.02 ? 25 TRP H CG 1 ? ? +17516 ATOM C CD1 . TRP G 7 24 ? -16.405 -69.086 -11.754 1.00 65.77 ? 25 TRP H CD1 1 ? ? +17517 ATOM N NE1 . TRP G 7 24 ? -15.264 -69.575 -12.344 1.00 65.38 ? 25 TRP H NE1 1 ? ? +17518 ATOM C CE2 . TRP G 7 24 ? -14.696 -68.589 -13.099 1.00 64.37 ? 25 TRP H CE2 1 ? ? +17519 ATOM C CZ2 . TRP G 7 24 ? -13.542 -68.605 -13.880 1.00 63.75 ? 25 TRP H CZ2 1 ? ? +17520 ATOM C CH2 . TRP G 7 24 ? -13.198 -67.444 -14.525 1.00 62.87 ? 25 TRP H CH2 1 ? ? +17521 ATOM C CZ3 . TRP G 7 24 ? -13.974 -66.287 -14.407 1.00 62.71 ? 25 TRP H CZ3 1 ? ? +17522 ATOM C CE3 . TRP G 7 24 ? -15.131 -66.274 -13.635 1.00 63.34 ? 25 TRP H CE3 1 ? ? +17523 ATOM C CD2 . TRP G 7 24 ? -15.498 -67.438 -12.955 1.00 64.16 ? 25 TRP H CD2 1 ? ? +17524 ATOM C C . TRP G 7 24 ? -18.449 -64.860 -10.487 1.00 64.38 ? 25 TRP H C 1 ? ? +17525 ATOM O O . TRP G 7 24 ? -18.543 -64.016 -11.375 1.00 63.79 ? 25 TRP H O 1 ? ? +17526 ATOM N N . GLY G 7 25 ? -19.281 -64.899 -9.446 1.00 64.92 ? 26 GLY H N 1 ? ? +17527 ATOM C CA . GLY G 7 25 ? -20.346 -63.925 -9.285 1.00 64.89 ? 26 GLY H CA 1 ? ? +17528 ATOM C C . GLY G 7 25 ? -21.064 -63.620 -10.597 1.00 64.69 ? 26 GLY H C 1 ? ? +17529 ATOM O O . GLY G 7 25 ? -21.498 -64.523 -11.303 1.00 65.10 ? 26 GLY H O 1 ? ? +17530 ATOM N N . THR G 7 26 ? -21.132 -62.331 -10.930 1.00 64.06 ? 27 THR H N 1 ? ? +17531 ATOM C CA . THR G 7 26 ? -21.854 -61.844 -12.092 1.00 63.93 ? 27 THR H CA 1 ? ? +17532 ATOM C CB . THR G 7 26 ? -22.387 -60.448 -11.755 1.00 63.56 ? 27 THR H CB 1 ? ? +17533 ATOM O OG1 . THR G 7 26 ? -21.327 -59.694 -11.141 1.00 62.68 ? 27 THR H OG1 1 ? ? +17534 ATOM C CG2 . THR G 7 26 ? -23.625 -60.499 -10.859 1.00 64.40 ? 27 THR H CG2 1 ? ? +17535 ATOM C C . THR G 7 26 ? -21.027 -61.777 -13.376 1.00 63.28 ? 27 THR H C 1 ? ? +17536 ATOM O O . THR G 7 26 ? -21.370 -61.043 -14.300 1.00 62.91 ? 27 THR H O 1 ? ? +17537 ATOM N N . THR G 7 27 ? -19.936 -62.548 -13.436 1.00 63.25 ? 28 THR H N 1 ? ? +17538 ATOM C CA . THR G 7 27 ? -19.032 -62.508 -14.578 1.00 62.60 ? 28 THR H CA 1 ? ? +17539 ATOM C CB . THR G 7 27 ? -17.772 -63.366 -14.319 1.00 62.34 ? 28 THR H CB 1 ? ? +17540 ATOM O OG1 . THR G 7 27 ? -17.061 -62.846 -13.193 1.00 61.85 ? 28 THR H OG1 1 ? ? +17541 ATOM C CG2 . THR G 7 27 ? -16.853 -63.392 -15.525 1.00 61.67 ? 28 THR H CG2 1 ? ? +17542 ATOM C C . THR G 7 27 ? -19.740 -62.919 -15.871 1.00 63.06 ? 28 THR H C 1 ? ? +17543 ATOM O O . THR G 7 27 ? -19.517 -62.313 -16.913 1.00 62.49 ? 28 THR H O 1 ? ? +17544 ATOM N N . PRO G 7 28 ? -20.608 -63.956 -15.871 1.00 64.29 ? 29 PRO H N 1 ? ? +17545 ATOM C CA . PRO G 7 28 ? -21.328 -64.333 -17.087 1.00 64.80 ? 29 PRO H CA 1 ? ? +17546 ATOM C CB . PRO G 7 28 ? -22.181 -65.517 -16.635 1.00 65.83 ? 29 PRO H CB 1 ? ? +17547 ATOM C CG . PRO G 7 28 ? -21.468 -66.047 -15.420 1.00 65.92 ? 29 PRO H CG 1 ? ? +17548 ATOM C CD . PRO G 7 28 ? -20.942 -64.833 -14.735 1.00 65.15 ? 29 PRO H CD 1 ? ? +17549 ATOM C C . PRO G 7 28 ? -22.161 -63.173 -17.626 1.00 64.83 ? 29 PRO H C 1 ? ? +17550 ATOM O O . PRO G 7 28 ? -22.107 -62.865 -18.814 1.00 64.51 ? 29 PRO H O 1 ? ? +17551 ATOM N N . LEU G 7 29 ? -22.907 -62.516 -16.734 1.00 65.37 ? 30 LEU H N 1 ? ? +17552 ATOM C CA . LEU G 7 29 ? -23.700 -61.358 -17.107 1.00 65.36 ? 30 LEU H CA 1 ? ? +17553 ATOM C CB . LEU G 7 29 ? -24.472 -60.838 -15.899 1.00 66.21 ? 30 LEU H CB 1 ? ? +17554 ATOM C CG . LEU G 7 29 ? -25.480 -59.735 -16.196 1.00 66.70 ? 30 LEU H CG 1 ? ? +17555 ATOM C CD1 . LEU G 7 29 ? -26.469 -60.159 -17.319 1.00 67.42 ? 30 LEU H CD1 1 ? ? +17556 ATOM C CD2 . LEU G 7 29 ? -26.282 -59.362 -14.937 1.00 67.43 ? 30 LEU H CD2 1 ? ? +17557 ATOM C C . LEU G 7 29 ? -22.813 -60.256 -17.683 1.00 64.02 ? 30 LEU H C 1 ? ? +17558 ATOM O O . LEU G 7 29 ? -23.117 -59.693 -18.731 1.00 63.81 ? 30 LEU H O 1 ? ? +17559 ATOM N N . MET G 7 30 ? -21.695 -59.973 -17.008 1.00 63.12 ? 31 MET H N 1 ? ? +17560 ATOM C CA . MET G 7 30 ? -20.749 -58.984 -17.499 1.00 61.83 ? 31 MET H CA 1 ? ? +17561 ATOM C CB . MET G 7 30 ? -19.513 -58.893 -16.594 1.00 61.26 ? 31 MET H CB 1 ? ? +17562 ATOM C CG . MET G 7 30 ? -18.487 -57.927 -17.113 1.00 60.17 ? 31 MET H CG 1 ? ? +17563 ATOM S SD . MET G 7 30 ? -17.033 -57.776 -16.084 1.00 59.46 ? 31 MET H SD 1 ? ? +17564 ATOM C CE . MET G 7 30 ? -16.139 -59.108 -16.696 1.00 59.53 ? 31 MET H CE 1 ? ? +17565 ATOM C C . MET G 7 30 ? -20.316 -59.314 -18.926 1.00 61.33 ? 31 MET H C 1 ? ? +17566 ATOM O O . MET G 7 30 ? -20.242 -58.428 -19.765 1.00 60.77 ? 31 MET H O 1 ? ? +17567 ATOM N N . ALA G 7 31 ? -20.042 -60.595 -19.186 1.00 61.64 ? 32 ALA H N 1 ? ? +17568 ATOM C CA . ALA G 7 31 ? -19.626 -61.070 -20.498 1.00 61.33 ? 32 ALA H CA 1 ? ? +17569 ATOM C CB . ALA G 7 31 ? -19.425 -62.582 -20.457 1.00 61.98 ? 32 ALA H CB 1 ? ? +17570 ATOM C C . ALA G 7 31 ? -20.625 -60.725 -21.599 1.00 61.39 ? 32 ALA H C 1 ? ? +17571 ATOM O O . ALA G 7 31 ? -20.219 -60.287 -22.675 1.00 60.59 ? 32 ALA H O 1 ? ? +17572 ATOM N N . VAL G 7 32 ? -21.922 -60.937 -21.309 1.00 62.12 ? 33 VAL H N 1 ? ? +17573 ATOM C CA . VAL G 7 32 ? -22.989 -60.629 -22.244 1.00 62.39 ? 33 VAL H CA 1 ? ? +17574 ATOM C CB . VAL G 7 32 ? -24.388 -61.003 -21.679 1.00 63.45 ? 33 VAL H CB 1 ? ? +17575 ATOM C CG1 . VAL G 7 32 ? -25.520 -60.481 -22.569 1.00 63.69 ? 33 VAL H CG1 1 ? ? +17576 ATOM C CG2 . VAL G 7 32 ? -24.512 -62.503 -21.474 1.00 64.23 ? 33 VAL H CG2 1 ? ? +17577 ATOM C C . VAL G 7 32 ? -22.936 -59.157 -22.642 1.00 61.74 ? 33 VAL H C 1 ? ? +17578 ATOM O O . VAL G 7 32 ? -22.901 -58.842 -23.834 1.00 61.43 ? 33 VAL H O 1 ? ? +17579 ATOM N N . PHE G 7 33 ? -22.919 -58.266 -21.638 1.00 61.60 ? 34 PHE H N 1 ? ? +17580 ATOM C CA . PHE G 7 33 ? -22.942 -56.834 -21.890 1.00 61.16 ? 34 PHE H CA 1 ? ? +17581 ATOM C CB . PHE G 7 33 ? -23.043 -56.040 -20.566 1.00 61.19 ? 34 PHE H CB 1 ? ? +17582 ATOM C CG . PHE G 7 33 ? -24.434 -56.017 -19.968 1.00 62.24 ? 34 PHE H CG 1 ? ? +17583 ATOM C CD1 . PHE G 7 33 ? -25.410 -55.180 -20.476 1.00 62.44 ? 34 PHE H CD1 1 ? ? +17584 ATOM C CD2 . PHE G 7 33 ? -24.766 -56.843 -18.910 1.00 63.08 ? 34 PHE H CD2 1 ? ? +17585 ATOM C CE1 . PHE G 7 33 ? -26.686 -55.160 -19.929 1.00 63.31 ? 34 PHE H CE1 1 ? ? +17586 ATOM C CE2 . PHE G 7 33 ? -26.055 -56.840 -18.380 1.00 63.95 ? 34 PHE H CE2 1 ? ? +17587 ATOM C CZ . PHE G 7 33 ? -27.002 -55.992 -18.887 1.00 64.04 ? 34 PHE H CZ 1 ? ? +17588 ATOM C C . PHE G 7 33 ? -21.719 -56.413 -22.705 1.00 60.32 ? 34 PHE H C 1 ? ? +17589 ATOM O O . PHE G 7 33 ? -21.816 -55.540 -23.567 1.00 60.04 ? 34 PHE H O 1 ? ? +17590 ATOM N N . MET G 7 34 ? -20.566 -57.033 -22.431 1.00 60.07 ? 35 MET H N 1 ? ? +17591 ATOM C CA . MET G 7 34 ? -19.346 -56.752 -23.176 1.00 59.29 ? 35 MET H CA 1 ? ? +17592 ATOM C CB . MET G 7 34 ? -18.177 -57.499 -22.558 1.00 59.35 ? 35 MET H CB 1 ? ? +17593 ATOM C CG . MET G 7 34 ? -17.608 -56.816 -21.358 1.00 59.23 ? 35 MET H CG 1 ? ? +17594 ATOM S SD . MET G 7 34 ? -16.205 -57.732 -20.693 1.00 59.67 ? 35 MET H SD 1 ? ? +17595 ATOM C CE . MET G 7 34 ? -14.969 -57.305 -21.881 1.00 58.49 ? 35 MET H CE 1 ? ? +17596 ATOM C C . MET G 7 34 ? -19.498 -57.171 -24.637 1.00 59.19 ? 35 MET H C 1 ? ? +17597 ATOM O O . MET G 7 34 ? -19.082 -56.449 -25.538 1.00 58.49 ? 35 MET H O 1 ? ? +17598 ATOM N N . GLY G 7 35 ? -20.113 -58.338 -24.856 1.00 59.80 ? 36 GLY H N 1 ? ? +17599 ATOM C CA . GLY G 7 35 ? -20.458 -58.792 -26.193 1.00 60.00 ? 36 GLY H CA 1 ? ? +17600 ATOM C C . GLY G 7 35 ? -21.381 -57.836 -26.945 1.00 59.98 ? 36 GLY H C 1 ? ? +17601 ATOM O O . GLY G 7 35 ? -21.047 -57.392 -28.042 1.00 59.47 ? 36 GLY H O 1 ? ? +17602 ATOM N N . LEU G 7 36 ? -22.536 -57.515 -26.344 1.00 60.52 ? 37 LEU H N 1 ? ? +17603 ATOM C CA . LEU G 7 36 ? -23.445 -56.542 -26.929 1.00 60.56 ? 37 LEU H CA 1 ? ? +17604 ATOM C CB . LEU G 7 36 ? -24.621 -56.244 -25.992 1.00 61.26 ? 37 LEU H CB 1 ? ? +17605 ATOM C CG . LEU G 7 36 ? -25.525 -57.417 -25.697 1.00 62.38 ? 37 LEU H CG 1 ? ? +17606 ATOM C CD1 . LEU G 7 36 ? -26.526 -57.090 -24.602 1.00 63.01 ? 37 LEU H CD1 1 ? ? +17607 ATOM C CD2 . LEU G 7 36 ? -26.253 -57.864 -26.930 1.00 62.93 ? 37 LEU H CD2 1 ? ? +17608 ATOM C C . LEU G 7 36 ? -22.723 -55.235 -27.252 1.00 59.51 ? 37 LEU H C 1 ? ? +17609 ATOM O O . LEU G 7 36 ? -22.994 -54.624 -28.282 1.00 59.40 ? 37 LEU H O 1 ? ? +17610 ATOM N N . PHE G 7 37 ? -21.818 -54.805 -26.362 1.00 58.75 ? 38 PHE H N 1 ? ? +17611 ATOM C CA . PHE G 7 37 ? -21.140 -53.525 -26.513 1.00 57.81 ? 38 PHE H CA 1 ? ? +17612 ATOM C CB . PHE G 7 37 ? -20.399 -53.144 -25.221 1.00 57.51 ? 38 PHE H CB 1 ? ? +17613 ATOM C CG . PHE G 7 37 ? -19.798 -51.754 -25.193 1.00 56.84 ? 38 PHE H CG 1 ? ? +17614 ATOM C CD1 . PHE G 7 37 ? -20.588 -50.639 -25.381 1.00 56.92 ? 38 PHE H CD1 1 ? ? +17615 ATOM C CD2 . PHE G 7 37 ? -18.437 -51.569 -24.973 1.00 56.25 ? 38 PHE H CD2 1 ? ? +17616 ATOM C CE1 . PHE G 7 37 ? -20.036 -49.361 -25.345 1.00 56.26 ? 38 PHE H CE1 1 ? ? +17617 ATOM C CE2 . PHE G 7 37 ? -17.887 -50.293 -24.951 1.00 55.60 ? 38 PHE H CE2 1 ? ? +17618 ATOM C CZ . PHE G 7 37 ? -18.683 -49.199 -25.137 1.00 55.61 ? 38 PHE H CZ 1 ? ? +17619 ATOM C C . PHE G 7 37 ? -20.186 -53.562 -27.702 1.00 57.04 ? 38 PHE H C 1 ? ? +17620 ATOM O O . PHE G 7 37 ? -20.038 -52.574 -28.418 1.00 56.50 ? 38 PHE H O 1 ? ? +17621 ATOM N N . LEU G 7 38 ? -19.551 -54.718 -27.919 1.00 57.00 ? 39 LEU H N 1 ? ? +17622 ATOM C CA . LEU G 7 38 ? -18.686 -54.905 -29.071 1.00 56.41 ? 39 LEU H CA 1 ? ? +17623 ATOM C CB . LEU G 7 38 ? -18.007 -56.280 -29.003 1.00 56.72 ? 39 LEU H CB 1 ? ? +17624 ATOM C CG . LEU G 7 38 ? -17.249 -56.747 -30.265 1.00 56.53 ? 39 LEU H CG 1 ? ? +17625 ATOM C CD1 . LEU G 7 38 ? -16.121 -55.823 -30.596 1.00 55.66 ? 39 LEU H CD1 1 ? ? +17626 ATOM C CD2 . LEU G 7 38 ? -16.736 -58.150 -30.097 1.00 56.94 ? 39 LEU H CD2 1 ? ? +17627 ATOM C C . LEU G 7 38 ? -19.475 -54.741 -30.370 1.00 56.41 ? 39 LEU H C 1 ? ? +17628 ATOM O O . LEU G 7 38 ? -19.042 -54.024 -31.270 1.00 55.73 ? 39 LEU H O 1 ? ? +17629 ATOM N N . VAL G 7 39 ? -20.638 -55.401 -30.456 1.00 57.03 ? 40 VAL H N 1 ? ? +17630 ATOM C CA . VAL G 7 39 ? -21.483 -55.306 -31.634 1.00 57.24 ? 40 VAL H CA 1 ? ? +17631 ATOM C CB . VAL G 7 39 ? -22.699 -56.271 -31.514 1.00 58.34 ? 40 VAL H CB 1 ? ? +17632 ATOM C CG1 . VAL G 7 39 ? -23.686 -56.121 -32.686 1.00 58.72 ? 40 VAL H CG1 1 ? ? +17633 ATOM C CG2 . VAL G 7 39 ? -22.210 -57.721 -31.380 1.00 58.67 ? 40 VAL H CG2 1 ? ? +17634 ATOM C C . VAL G 7 39 ? -21.908 -53.856 -31.861 1.00 56.80 ? 40 VAL H C 1 ? ? +17635 ATOM O O . VAL G 7 39 ? -21.925 -53.384 -32.991 1.00 56.59 ? 40 VAL H O 1 ? ? +17636 ATOM N N . PHE G 7 40 ? -22.241 -53.143 -30.784 1.00 56.69 ? 41 PHE H N 1 ? ? +17637 ATOM C CA . PHE G 7 40 ? -22.621 -51.743 -30.886 1.00 56.38 ? 41 PHE H CA 1 ? ? +17638 ATOM C CB . PHE G 7 40 ? -23.007 -51.221 -29.502 1.00 56.57 ? 41 PHE H CB 1 ? ? +17639 ATOM C CG . PHE G 7 40 ? -23.243 -49.740 -29.460 1.00 56.36 ? 41 PHE H CG 1 ? ? +17640 ATOM C CD1 . PHE G 7 40 ? -24.338 -49.182 -30.080 1.00 56.85 ? 41 PHE H CD1 1 ? ? +17641 ATOM C CD2 . PHE G 7 40 ? -22.348 -48.895 -28.820 1.00 55.75 ? 41 PHE H CD2 1 ? ? +17642 ATOM C CE1 . PHE G 7 40 ? -24.556 -47.812 -30.040 1.00 56.57 ? 41 PHE H CE1 1 ? ? +17643 ATOM C CE2 . PHE G 7 40 ? -22.550 -47.519 -28.812 1.00 55.45 ? 41 PHE H CE2 1 ? ? +17644 ATOM C CZ . PHE G 7 40 ? -23.650 -46.985 -29.428 1.00 55.85 ? 41 PHE H CZ 1 ? ? +17645 ATOM C C . PHE G 7 40 ? -21.488 -50.922 -31.507 1.00 55.45 ? 41 PHE H C 1 ? ? +17646 ATOM O O . PHE G 7 40 ? -21.699 -50.171 -32.456 1.00 55.22 ? 41 PHE H O 1 ? ? +17647 ATOM N N . LEU G 7 41 ? -20.269 -51.082 -30.980 1.00 54.85 ? 42 LEU H N 1 ? ? +17648 ATOM C CA . LEU G 7 41 ? -19.125 -50.355 -31.506 1.00 54.06 ? 42 LEU H CA 1 ? ? +17649 ATOM C CB . LEU G 7 41 ? -17.872 -50.645 -30.682 1.00 53.67 ? 42 LEU H CB 1 ? ? +17650 ATOM C CG . LEU G 7 41 ? -17.896 -50.084 -29.265 1.00 53.65 ? 42 LEU H CG 1 ? ? +17651 ATOM C CD1 . LEU G 7 41 ? -16.697 -50.517 -28.514 1.00 53.39 ? 42 LEU H CD1 1 ? ? +17652 ATOM C CD2 . LEU G 7 41 ? -17.976 -48.554 -29.253 1.00 53.19 ? 42 LEU H CD2 1 ? ? +17653 ATOM C C . LEU G 7 41 ? -18.854 -50.692 -32.969 1.00 53.91 ? 42 LEU H C 1 ? ? +17654 ATOM O O . LEU G 7 41 ? -18.502 -49.808 -33.749 1.00 53.43 ? 42 LEU H O 1 ? ? +17655 ATOM N N . LEU G 7 42 ? -19.027 -51.968 -33.327 1.00 54.32 ? 43 LEU H N 1 ? ? +17656 ATOM C CA . LEU G 7 42 ? -18.902 -52.397 -34.708 1.00 54.33 ? 43 LEU H CA 1 ? ? +17657 ATOM C CB . LEU G 7 42 ? -19.115 -53.898 -34.827 1.00 55.03 ? 43 LEU H CB 1 ? ? +17658 ATOM C CG . LEU G 7 42 ? -17.925 -54.769 -34.635 1.00 54.91 ? 43 LEU H CG 1 ? ? +17659 ATOM C CD1 . LEU G 7 42 ? -18.208 -56.135 -35.154 1.00 55.60 ? 43 LEU H CD1 1 ? ? +17660 ATOM C CD2 . LEU G 7 42 ? -16.675 -54.224 -35.331 1.00 54.16 ? 43 LEU H CD2 1 ? ? +17661 ATOM C C . LEU G 7 42 ? -19.900 -51.688 -35.617 1.00 54.45 ? 43 LEU H C 1 ? ? +17662 ATOM O O . LEU G 7 42 ? -19.535 -51.248 -36.704 1.00 54.14 ? 43 LEU H O 1 ? ? +17663 ATOM N N . ILE G 7 43 ? -21.152 -51.580 -35.160 1.00 54.90 ? 44 ILE H N 1 ? ? +17664 ATOM C CA . ILE G 7 43 ? -22.194 -50.932 -35.936 1.00 55.13 ? 44 ILE H CA 1 ? ? +17665 ATOM C CB . ILE G 7 43 ? -23.585 -51.074 -35.234 1.00 55.93 ? 44 ILE H CB 1 ? ? +17666 ATOM C CG1 . ILE G 7 43 ? -24.056 -52.527 -35.305 1.00 56.75 ? 44 ILE H CG1 1 ? ? +17667 ATOM C CG2 . ILE G 7 43 ? -24.592 -50.106 -35.831 1.00 56.15 ? 44 ILE H CG2 1 ? ? +17668 ATOM C CD1 . ILE G 7 43 ? -25.400 -52.866 -34.567 1.00 57.68 ? 44 ILE H CD1 1 ? ? +17669 ATOM C C . ILE G 7 43 ? -21.853 -49.470 -36.207 1.00 54.34 ? 44 ILE H C 1 ? ? +17670 ATOM O O . ILE G 7 43 ? -21.860 -49.038 -37.362 1.00 54.09 ? 44 ILE H O 1 ? ? +17671 ATOM N N . ILE G 7 44 ? -21.573 -48.709 -35.137 1.00 53.91 ? 45 ILE H N 1 ? ? +17672 ATOM C CA . ILE G 7 44 ? -21.368 -47.276 -35.278 1.00 53.35 ? 45 ILE H CA 1 ? ? +17673 ATOM C CB . ILE G 7 44 ? -21.359 -46.521 -33.921 1.00 53.13 ? 45 ILE H CB 1 ? ? +17674 ATOM C CG1 . ILE G 7 44 ? -20.160 -46.894 -33.056 1.00 52.63 ? 45 ILE H CG1 1 ? ? +17675 ATOM C CG2 . ILE G 7 44 ? -22.712 -46.685 -33.161 1.00 53.88 ? 45 ILE H CG2 1 ? ? +17676 ATOM C CD1 . ILE G 7 44 ? -20.078 -46.070 -31.808 1.00 52.38 ? 45 ILE H CD1 1 ? ? +17677 ATOM C C . ILE G 7 44 ? -20.101 -46.980 -36.071 1.00 52.64 ? 45 ILE H C 1 ? ? +17678 ATOM O O . ILE G 7 44 ? -20.023 -45.948 -36.732 1.00 52.28 ? 45 ILE H O 1 ? ? +17679 ATOM N N . LEU G 7 45 ? -19.134 -47.899 -35.998 1.00 52.47 ? 46 LEU H N 1 ? ? +17680 ATOM C CA . LEU G 7 45 ? -17.909 -47.792 -36.766 1.00 51.97 ? 46 LEU H CA 1 ? ? +17681 ATOM C CB . LEU G 7 45 ? -16.853 -48.807 -36.292 1.00 51.86 ? 46 LEU H CB 1 ? ? +17682 ATOM C CG . LEU G 7 45 ? -15.636 -48.972 -37.222 1.00 51.42 ? 46 LEU H CG 1 ? ? +17683 ATOM C CD1 . LEU G 7 45 ? -14.851 -47.715 -37.302 1.00 50.75 ? 46 LEU H CD1 1 ? ? +17684 ATOM C CD2 . LEU G 7 45 ? -14.739 -50.105 -36.760 1.00 51.40 ? 46 LEU H CD2 1 ? ? +17685 ATOM C C . LEU G 7 45 ? -18.202 -48.018 -38.242 1.00 52.13 ? 46 LEU H C 1 ? ? +17686 ATOM O O . LEU G 7 45 ? -17.730 -47.268 -39.089 1.00 51.82 ? 46 LEU H O 1 ? ? +17687 ATOM N N . GLU G 7 46 ? -18.942 -49.077 -38.553 1.00 52.71 ? 47 GLU H N 1 ? ? +17688 ATOM C CA . GLU G 7 46 ? -19.190 -49.413 -39.946 1.00 52.89 ? 47 GLU H CA 1 ? ? +17689 ATOM C CB . GLU G 7 46 ? -19.649 -50.870 -40.077 1.00 53.58 ? 47 GLU H CB 1 ? ? +17690 ATOM C CG . GLU G 7 46 ? -18.543 -51.828 -39.678 1.00 53.34 ? 47 GLU H CG 1 ? ? +17691 ATOM C CD . GLU G 7 46 ? -18.823 -53.303 -39.840 1.00 53.99 ? 47 GLU H CD 1 ? ? +17692 ATOM O OE1 . GLU G 7 46 ? -19.774 -53.679 -40.555 1.00 54.62 ? 47 GLU H OE1 1 ? ? +17693 ATOM O OE2 . GLU G 7 46 ? -18.078 -54.095 -39.222 1.00 53.95 ? 47 GLU H OE2 1 ? ? +17694 ATOM C C . GLU G 7 46 ? -20.163 -48.441 -40.616 1.00 53.00 ? 47 GLU H C 1 ? ? +17695 ATOM O O . GLU G 7 46 ? -20.160 -48.327 -41.840 1.00 53.04 ? 47 GLU H O 1 ? ? +17696 ATOM N N . ILE G 7 47 ? -20.967 -47.722 -39.818 1.00 53.05 ? 48 ILE H N 1 ? ? +17697 ATOM C CA . ILE G 7 47 ? -21.802 -46.640 -40.330 1.00 53.07 ? 48 ILE H CA 1 ? ? +17698 ATOM C CB . ILE G 7 47 ? -22.907 -46.239 -39.313 1.00 53.43 ? 48 ILE H CB 1 ? ? +17699 ATOM C CG1 . ILE G 7 47 ? -23.965 -47.319 -39.205 1.00 54.33 ? 48 ILE H CG1 1 ? ? +17700 ATOM C CG2 . ILE G 7 47 ? -23.514 -44.912 -39.678 1.00 53.36 ? 48 ILE H CG2 1 ? ? +17701 ATOM C CD1 . ILE G 7 47 ? -24.866 -47.214 -37.926 1.00 54.78 ? 48 ILE H CD1 1 ? ? +17702 ATOM C C . ILE G 7 47 ? -20.924 -45.447 -40.706 1.00 52.19 ? 48 ILE H C 1 ? ? +17703 ATOM O O . ILE G 7 47 ? -20.980 -44.938 -41.810 1.00 52.13 ? 48 ILE H O 1 ? ? +17704 ATOM N N . TYR G 7 48 ? -20.109 -44.988 -39.767 1.00 51.57 ? 49 TYR H N 1 ? ? +17705 ATOM C CA . TYR G 7 48 ? -19.133 -43.952 -40.075 1.00 50.81 ? 49 TYR H CA 1 ? ? +17706 ATOM C CB . TYR G 7 48 ? -18.236 -43.712 -38.866 1.00 50.23 ? 49 TYR H CB 1 ? ? +17707 ATOM C CG . TYR G 7 48 ? -17.870 -42.271 -38.639 1.00 49.61 ? 49 TYR H CG 1 ? ? +17708 ATOM C CD1 . TYR G 7 48 ? -17.500 -41.451 -39.695 1.00 49.23 ? 49 TYR H CD1 1 ? ? +17709 ATOM C CD2 . TYR G 7 48 ? -17.869 -41.729 -37.363 1.00 49.40 ? 49 TYR H CD2 1 ? ? +17710 ATOM C CE1 . TYR G 7 48 ? -17.145 -40.123 -39.488 1.00 48.73 ? 49 TYR H CE1 1 ? ? +17711 ATOM C CE2 . TYR G 7 48 ? -17.511 -40.402 -37.142 1.00 48.89 ? 49 TYR H CE2 1 ? ? +17712 ATOM C CZ . TYR G 7 48 ? -17.138 -39.600 -38.207 1.00 48.54 ? 49 TYR H CZ 1 ? ? +17713 ATOM O OH . TYR G 7 48 ? -16.770 -38.288 -38.002 1.00 48.02 ? 49 TYR H OH 1 ? ? +17714 ATOM C C . TYR G 7 48 ? -18.265 -44.296 -41.291 1.00 50.54 ? 49 TYR H C 1 ? ? +17715 ATOM O O . TYR G 7 48 ? -17.939 -43.432 -42.098 1.00 50.18 ? 49 TYR H O 1 ? ? +17716 ATOM N N . ASN G 7 49 ? -17.930 -45.579 -41.436 1.00 50.77 ? 50 ASN H N 1 ? ? +17717 ATOM C CA . ASN G 7 49 ? -17.061 -46.047 -42.504 1.00 50.65 ? 50 ASN H CA 1 ? ? +17718 ATOM C CB . ASN G 7 49 ? -16.447 -47.389 -42.099 1.00 50.79 ? 50 ASN H CB 1 ? ? +17719 ATOM C CG . ASN G 7 49 ? -15.252 -47.783 -42.933 1.00 50.48 ? 50 ASN H CG 1 ? ? +17720 ATOM O OD1 . ASN G 7 49 ? -14.291 -47.038 -43.048 1.00 49.82 ? 50 ASN H OD1 1 ? ? +17721 ATOM N ND2 . ASN G 7 49 ? -15.332 -48.976 -43.526 1.00 50.96 ? 50 ASN H ND2 1 ? ? +17722 ATOM C C . ASN G 7 49 ? -17.721 -46.244 -43.862 1.00 51.11 ? 50 ASN H C 1 ? ? +17723 ATOM O O . ASN G 7 49 ? -17.019 -46.447 -44.847 1.00 50.89 ? 50 ASN H O 1 ? ? +17724 ATOM N N . SER G 7 50 ? -19.067 -46.239 -43.899 1.00 51.76 ? 51 SER H N 1 ? ? +17725 ATOM C CA . SER G 7 50 ? -19.825 -46.592 -45.091 1.00 52.36 ? 51 SER H CA 1 ? ? +17726 ATOM C CB . SER G 7 50 ? -19.484 -45.670 -46.249 1.00 52.05 ? 51 SER H CB 1 ? ? +17727 ATOM O OG . SER G 7 50 ? -19.737 -44.329 -45.889 1.00 51.80 ? 51 SER H OG 1 ? ? +17728 ATOM C C . SER G 7 50 ? -19.665 -48.047 -45.538 1.00 52.79 ? 51 SER H C 1 ? ? +17729 ATOM O O . SER G 7 50 ? -19.852 -48.366 -46.712 1.00 53.05 ? 51 SER H O 1 ? ? +17730 ATOM N N . THR G 7 51 ? -19.306 -48.922 -44.593 1.00 52.92 ? 52 THR H N 1 ? ? +17731 ATOM C CA . THR G 7 51 ? -19.365 -50.360 -44.794 1.00 53.48 ? 52 THR H CA 1 ? ? +17732 ATOM C CB . THR G 7 51 ? -18.288 -51.057 -43.945 1.00 53.08 ? 52 THR H CB 1 ? ? +17733 ATOM O OG1 . THR G 7 51 ? -16.996 -50.776 -44.505 1.00 52.43 ? 52 THR H OG1 1 ? ? +17734 ATOM C CG2 . THR G 7 51 ? -18.494 -52.567 -43.843 1.00 53.61 ? 52 THR H CG2 1 ? ? +17735 ATOM C C . THR G 7 51 ? -20.777 -50.845 -44.480 1.00 54.47 ? 52 THR H C 1 ? ? +17736 ATOM O O . THR G 7 51 ? -21.242 -51.813 -45.066 1.00 55.15 ? 52 THR H O 1 ? ? +17737 ATOM N N . LEU G 7 52 ? -21.451 -50.188 -43.534 1.00 54.74 ? 53 LEU H N 1 ? ? +17738 ATOM C CA . LEU G 7 52 ? -22.849 -50.478 -43.236 1.00 55.69 ? 53 LEU H CA 1 ? ? +17739 ATOM C CB . LEU G 7 52 ? -23.052 -50.773 -41.744 1.00 55.83 ? 53 LEU H CB 1 ? ? +17740 ATOM C CG . LEU G 7 52 ? -24.461 -51.075 -41.271 1.00 56.78 ? 53 LEU H CG 1 ? ? +17741 ATOM C CD1 . LEU G 7 52 ? -25.038 -52.257 -41.975 1.00 57.55 ? 53 LEU H CD1 1 ? ? +17742 ATOM C CD2 . LEU G 7 52 ? -24.472 -51.324 -39.780 1.00 56.82 ? 53 LEU H CD2 1 ? ? +17743 ATOM C C . LEU G 7 52 ? -23.640 -49.252 -43.674 1.00 55.93 ? 53 LEU H C 1 ? ? +17744 ATOM O O . LEU G 7 52 ? -23.359 -48.143 -43.223 1.00 55.36 ? 53 LEU H O 1 ? ? +17745 ATOM N N . ILE G 7 53 ? -24.585 -49.467 -44.596 1.00 56.91 ? 54 ILE H N 1 ? ? +17746 ATOM C CA . ILE G 7 53 ? -25.376 -48.397 -45.182 1.00 57.36 ? 54 ILE H CA 1 ? ? +17747 ATOM C CB . ILE G 7 53 ? -25.079 -48.262 -46.700 1.00 57.31 ? 54 ILE H CB 1 ? ? +17748 ATOM C CG1 . ILE G 7 53 ? -23.571 -48.106 -46.985 1.00 56.45 ? 54 ILE H CG1 1 ? ? +17749 ATOM C CG2 . ILE G 7 53 ? -25.877 -47.095 -47.301 1.00 57.53 ? 54 ILE H CG2 1 ? ? +17750 ATOM C CD1 . ILE G 7 53 ? -23.191 -48.299 -48.424 1.00 56.45 ? 54 ILE H CD1 1 ? ? +17751 ATOM C C . ILE G 7 53 ? -26.854 -48.677 -44.913 1.00 58.57 ? 54 ILE H C 1 ? ? +17752 ATOM O O . ILE G 7 53 ? -27.380 -49.695 -45.349 1.00 59.26 ? 54 ILE H O 1 ? ? +17753 ATOM N N . LEU G 7 54 ? -27.505 -47.759 -44.197 1.00 59.00 ? 55 LEU H N 1 ? ? +17754 ATOM C CA . LEU G 7 54 ? -28.892 -47.910 -43.790 1.00 60.20 ? 55 LEU H CA 1 ? ? +17755 ATOM C CB . LEU G 7 54 ? -29.010 -47.673 -42.284 1.00 60.03 ? 55 LEU H CB 1 ? ? +17756 ATOM C CG . LEU G 7 54 ? -28.161 -48.571 -41.393 1.00 59.70 ? 55 LEU H CG 1 ? ? +17757 ATOM C CD1 . LEU G 7 54 ? -28.432 -48.296 -39.945 1.00 59.74 ? 55 LEU H CD1 1 ? ? +17758 ATOM C CD2 . LEU G 7 54 ? -28.402 -50.040 -41.680 1.00 60.33 ? 55 LEU H CD2 1 ? ? +17759 ATOM C C . LEU G 7 54 ? -29.793 -46.926 -44.527 1.00 61.03 ? 55 LEU H C 1 ? ? +17760 ATOM O O . LEU G 7 54 ? -29.361 -45.833 -44.878 1.00 60.20 ? 55 LEU H O 1 ? ? +17761 ATOM N N . ASP G 7 55 ? -31.054 -47.320 -44.756 1.00 62.84 ? 56 ASP H N 1 ? ? +17762 ATOM C CA . ASP G 7 55 ? -32.014 -46.419 -45.372 1.00 64.11 ? 56 ASP H CA 1 ? ? +17763 ATOM C CB . ASP G 7 55 ? -33.356 -47.109 -45.647 1.00 66.07 ? 56 ASP H CB 1 ? ? +17764 ATOM C CG . ASP G 7 55 ? -33.326 -47.829 -46.964 1.00 67.19 ? 56 ASP H CG 1 ? ? +17765 ATOM O OD1 . ASP G 7 55 ? -32.827 -47.233 -47.961 1.00 67.26 ? 56 ASP H OD1 1 ? ? +17766 ATOM O OD2 . ASP G 7 55 ? -33.796 -48.984 -47.015 1.00 69.08 ? 56 ASP H OD2 1 ? ? +17767 ATOM C C . ASP G 7 55 ? -32.253 -45.175 -44.526 1.00 63.93 ? 56 ASP H C 1 ? ? +17768 ATOM O O . ASP G 7 55 ? -32.461 -45.271 -43.321 1.00 63.84 ? 56 ASP H O 1 ? ? +17769 ATOM N N . GLY G 7 56 ? -32.191 -44.013 -45.183 1.00 64.01 ? 57 GLY H N 1 ? ? +17770 ATOM C CA . GLY G 7 56 ? -32.386 -42.739 -44.517 1.00 64.21 ? 57 GLY H CA 1 ? ? +17771 ATOM C C . GLY G 7 56 ? -31.228 -42.305 -43.619 1.00 63.77 ? 57 GLY H C 1 ? ? +17772 ATOM O O . GLY G 7 56 ? -31.369 -41.340 -42.879 1.00 63.95 ? 57 GLY H O 1 ? ? +17773 ATOM N N . VAL G 7 57 ? -30.091 -43.008 -43.670 1.00 63.65 ? 58 VAL H N 1 ? ? +17774 ATOM C CA . VAL G 7 57 ? -28.940 -42.625 -42.870 1.00 63.26 ? 58 VAL H CA 1 ? ? +17775 ATOM C CB . VAL G 7 57 ? -28.493 -43.723 -41.888 1.00 63.11 ? 58 VAL H CB 1 ? ? +17776 ATOM C CG1 . VAL G 7 57 ? -27.204 -43.316 -41.137 1.00 62.28 ? 58 VAL H CG1 1 ? ? +17777 ATOM C CG2 . VAL G 7 57 ? -29.603 -44.083 -40.920 1.00 63.72 ? 58 VAL H CG2 1 ? ? +17778 ATOM C C . VAL G 7 57 ? -27.815 -42.234 -43.824 1.00 63.30 ? 58 VAL H C 1 ? ? +17779 ATOM O O . VAL G 7 57 ? -27.060 -43.092 -44.284 1.00 62.78 ? 58 VAL H O 1 ? ? +17780 ATOM N N . ASN G 7 58 ? -27.742 -40.929 -44.109 1.00 64.22 ? 59 ASN H N 1 ? ? +17781 ATOM C CA . ASN G 7 58 ? -26.800 -40.370 -45.062 1.00 64.40 ? 59 ASN H CA 1 ? ? +17782 ATOM C CB . ASN G 7 58 ? -27.509 -39.375 -45.989 1.00 66.96 ? 59 ASN H CB 1 ? ? +17783 ATOM C CG . ASN G 7 58 ? -26.564 -38.731 -46.973 1.00 69.22 ? 59 ASN H CG 1 ? ? +17784 ATOM O OD1 . ASN G 7 58 ? -25.653 -39.375 -47.516 1.00 70.97 ? 59 ASN H OD1 1 ? ? +17785 ATOM N ND2 . ASN G 7 58 ? -26.710 -37.430 -47.199 1.00 70.93 ? 59 ASN H ND2 1 ? ? +17786 ATOM C C . ASN G 7 58 ? -25.629 -39.732 -44.319 1.00 62.30 ? 59 ASN H C 1 ? ? +17787 ATOM O O . ASN G 7 58 ? -25.737 -38.633 -43.777 1.00 60.88 ? 59 ASN H O 1 ? ? +17788 ATOM N N . VAL G 7 59 ? -24.507 -40.455 -44.328 1.00 61.54 ? 60 VAL H N 1 ? ? +17789 ATOM C CA . VAL G 7 59 ? -23.326 -40.099 -43.564 1.00 60.87 ? 60 VAL H CA 1 ? ? +17790 ATOM C CB . VAL G 7 59 ? -22.490 -41.353 -43.284 1.00 60.51 ? 60 VAL H CB 1 ? ? +17791 ATOM C CG1 . VAL G 7 59 ? -21.238 -41.012 -42.509 1.00 59.72 ? 60 VAL H CG1 1 ? ? +17792 ATOM C CG2 . VAL G 7 59 ? -23.329 -42.404 -42.554 1.00 61.09 ? 60 VAL H CG2 1 ? ? +17793 ATOM C C . VAL G 7 59 ? -22.547 -39.032 -44.324 1.00 60.33 ? 60 VAL H C 1 ? ? +17794 ATOM O O . VAL G 7 59 ? -21.619 -39.333 -45.067 1.00 59.14 ? 60 VAL H O 1 ? ? +17795 ATOM N N . SER G 7 60 ? -22.977 -37.786 -44.128 1.00 61.04 ? 61 SER H N 1 ? ? +17796 ATOM C CA . SER G 7 60 ? -22.488 -36.651 -44.883 1.00 61.77 ? 61 SER H CA 1 ? ? +17797 ATOM C CB . SER G 7 60 ? -23.061 -36.646 -46.298 1.00 63.00 ? 61 SER H CB 1 ? ? +17798 ATOM O OG . SER G 7 60 ? -22.624 -35.498 -47.010 1.00 63.68 ? 61 SER H OG 1 ? ? +17799 ATOM C C . SER G 7 60 ? -22.891 -35.370 -44.164 1.00 62.37 ? 61 SER H C 1 ? ? +17800 ATOM O O . SER G 7 60 ? -23.827 -35.374 -43.369 1.00 61.93 ? 61 SER H O 1 ? ? +17801 ATOM N N . TRP G 7 61 ? -22.177 -34.279 -44.466 1.00 63.00 ? 62 TRP H N 1 ? ? +17802 ATOM C CA . TRP G 7 61 ? -22.578 -32.959 -44.016 1.00 64.33 ? 62 TRP H CA 1 ? ? +17803 ATOM C CB . TRP G 7 61 ? -21.620 -31.888 -44.519 1.00 61.87 ? 62 TRP H CB 1 ? ? +17804 ATOM C CG . TRP G 7 61 ? -20.223 -31.977 -43.991 1.00 59.90 ? 62 TRP H CG 1 ? ? +17805 ATOM C CD1 . TRP G 7 61 ? -19.139 -32.462 -44.655 1.00 58.86 ? 62 TRP H CD1 1 ? ? +17806 ATOM N NE1 . TRP G 7 61 ? -18.026 -32.369 -43.869 1.00 58.44 ? 62 TRP H NE1 1 ? ? +17807 ATOM C CE2 . TRP G 7 61 ? -18.366 -31.799 -42.670 1.00 58.16 ? 62 TRP H CE2 1 ? ? +17808 ATOM C CZ2 . TRP G 7 61 ? -17.578 -31.481 -41.558 1.00 57.19 ? 62 TRP H CZ2 1 ? ? +17809 ATOM C CH2 . TRP G 7 61 ? -18.212 -30.901 -40.485 1.00 57.13 ? 62 TRP H CH2 1 ? ? +17810 ATOM C CZ3 . TRP G 7 61 ? -19.586 -30.640 -40.504 1.00 57.44 ? 62 TRP H CZ3 1 ? ? +17811 ATOM C CE3 . TRP G 7 61 ? -20.350 -30.933 -41.609 1.00 57.92 ? 62 TRP H CE3 1 ? ? +17812 ATOM C CD2 . TRP G 7 61 ? -19.746 -31.525 -42.718 1.00 58.42 ? 62 TRP H CD2 1 ? ? +17813 ATOM C C . TRP G 7 61 ? -23.994 -32.650 -44.503 1.00 69.65 ? 62 TRP H C 1 ? ? +17814 ATOM O O . TRP G 7 61 ? -24.718 -31.912 -43.847 1.00 68.37 ? 62 TRP H O 1 ? ? +17815 ATOM N N . LYS G 7 62 ? -24.372 -33.224 -45.655 1.00 76.71 ? 63 LYS H N 1 ? ? +17816 ATOM C CA . LYS G 7 62 ? -25.676 -32.995 -46.256 1.00 85.01 ? 63 LYS H CA 1 ? ? +17817 ATOM C CB . LYS G 7 62 ? -25.682 -33.517 -47.712 1.00 89.54 ? 63 LYS H CB 1 ? ? +17818 ATOM C CG . LYS G 7 62 ? -24.739 -32.701 -48.628 1.00 93.62 ? 63 LYS H CG 1 ? ? +17819 ATOM C CD . LYS G 7 62 ? -25.309 -32.417 -50.054 1.00 98.56 ? 63 LYS H CD 1 ? ? +17820 ATOM C CE . LYS G 7 62 ? -25.229 -33.610 -50.965 1.00 102.92 ? 63 LYS H CE 1 ? ? +17821 ATOM N NZ . LYS G 7 62 ? -25.225 -33.198 -52.395 1.00 103.83 ? 63 LYS H NZ 1 ? ? +17822 ATOM C C . LYS G 7 62 ? -26.850 -33.561 -45.454 1.00 91.39 ? 63 LYS H C 1 ? ? +17823 ATOM O O . LYS G 7 62 ? -27.994 -33.483 -45.896 1.00 92.15 ? 63 LYS H O 1 ? ? +17824 ATOM N N . ALA G 7 63 ? -26.570 -34.075 -44.248 1.00 98.85 ? 64 ALA H N 1 ? ? +17825 ATOM C CA . ALA G 7 63 ? -27.603 -34.342 -43.257 1.00 104.76 ? 64 ALA H CA 1 ? ? +17826 ATOM C CB . ALA G 7 63 ? -27.220 -35.582 -42.462 1.00 103.25 ? 64 ALA H CB 1 ? ? +17827 ATOM C C . ALA G 7 63 ? -27.824 -33.145 -42.324 1.00 111.84 ? 64 ALA H C 1 ? ? +17828 ATOM O O . ALA G 7 63 ? -28.706 -33.185 -41.469 1.00 119.13 ? 64 ALA H O 1 ? ? +17829 ATOM N N . LEU G 7 64 ? -27.024 -32.083 -42.517 1.00 111.01 ? 65 LEU H N 1 ? ? +17830 ATOM C CA . LEU G 7 64 ? -27.075 -30.829 -41.776 1.00 110.87 ? 65 LEU H CA 1 ? ? +17831 ATOM C CB . LEU G 7 64 ? -28.514 -30.432 -41.302 1.00 111.31 ? 65 LEU H CB 1 ? ? +17832 ATOM C CG . LEU G 7 64 ? -29.484 -29.843 -42.373 1.00 108.69 ? 65 LEU H CG 1 ? ? +17833 ATOM C CD1 . LEU G 7 64 ? -29.981 -30.897 -43.382 1.00 107.37 ? 65 LEU H CD1 1 ? ? +17834 ATOM C CD2 . LEU G 7 64 ? -30.652 -29.191 -41.711 1.00 109.47 ? 65 LEU H CD2 1 ? ? +17835 ATOM C C . LEU G 7 64 ? -26.069 -30.911 -40.603 1.00 114.10 ? 65 LEU H C 1 ? ? +17836 ATOM O O . LEU G 7 64 ? -24.907 -30.506 -40.757 1.00 115.44 ? 65 LEU H O 1 ? ? +17837 ATOM O OXT . LEU G 7 64 ? -26.398 -31.372 -39.517 1.00 117.61 ? 65 LEU H OXT 1 ? ? +17838 HETATM N N . FME H 8 1 ? 53.641 -19.316 -47.886 1.00 63.51 ? 1 FME I N 1 ? ? +17839 HETATM C CN . FME H 8 1 ? 54.103 -19.010 -46.653 1.00 63.91 ? 1 FME I CN 1 ? ? +17840 HETATM O O1 . FME H 8 1 ? 54.336 -19.806 -45.737 1.00 63.79 ? 1 FME I O1 1 ? ? +17841 HETATM C CA . FME H 8 1 ? 53.265 -20.659 -48.297 1.00 62.87 ? 1 FME I CA 1 ? ? +17842 HETATM C CB . FME H 8 1 ? 52.626 -20.653 -49.695 1.00 62.58 ? 1 FME I CB 1 ? ? +17843 HETATM C CG . FME H 8 1 ? 51.338 -19.841 -49.777 1.00 62.01 ? 1 FME I CG 1 ? ? +17844 HETATM S SD . FME H 8 1 ? 50.194 -20.202 -48.425 1.00 61.25 ? 1 FME I SD 1 ? ? +17845 HETATM C CE . FME H 8 1 ? 48.620 -19.642 -49.076 1.00 60.50 ? 1 FME I CE 1 ? ? +17846 HETATM C C . FME H 8 1 ? 54.474 -21.612 -48.286 1.00 63.64 ? 1 FME I C 1 ? ? +17847 HETATM O O . FME H 8 1 ? 54.301 -22.744 -47.782 1.00 62.16 ? 1 FME I O 1 ? ? +17848 ATOM N N . GLU H 8 2 ? 55.663 -21.111 -48.751 1.00 65.99 ? 2 GLU I N 1 ? ? +17849 ATOM C CA . GLU H 8 2 ? 56.801 -22.026 -48.735 1.00 67.32 ? 2 GLU I CA 1 ? ? +17850 ATOM C CB . GLU H 8 2 ? 57.974 -21.389 -49.493 1.00 71.04 ? 2 GLU I CB 1 ? ? +17851 ATOM C CG . GLU H 8 2 ? 59.078 -22.355 -49.923 1.00 75.22 ? 2 GLU I CG 1 ? ? +17852 ATOM C CD . GLU H 8 2 ? 58.787 -23.259 -51.119 1.00 78.37 ? 2 GLU I CD 1 ? ? +17853 ATOM O OE1 . GLU H 8 2 ? 57.620 -23.313 -51.585 1.00 79.55 ? 2 GLU I OE1 1 ? ? +17854 ATOM O OE2 . GLU H 8 2 ? 59.746 -23.913 -51.594 1.00 80.35 ? 2 GLU I OE2 1 ? ? +17855 ATOM C C . GLU H 8 2 ? 57.179 -22.382 -47.295 1.00 65.08 ? 2 GLU I C 1 ? ? +17856 ATOM O O . GLU H 8 2 ? 57.436 -23.544 -46.979 1.00 64.03 ? 2 GLU I O 1 ? ? +17857 ATOM N N . THR H 8 3 ? 57.166 -21.379 -46.412 1.00 63.92 ? 3 THR I N 1 ? ? +17858 ATOM C CA . THR H 8 3 ? 57.477 -21.591 -45.006 1.00 63.50 ? 3 THR I CA 1 ? ? +17859 ATOM C CB . THR H 8 3 ? 57.443 -20.279 -44.184 1.00 64.34 ? 3 THR I CB 1 ? ? +17860 ATOM O OG1 . THR H 8 3 ? 57.939 -19.186 -44.949 1.00 65.77 ? 3 THR I OG1 1 ? ? +17861 ATOM C CG2 . THR H 8 3 ? 58.262 -20.393 -42.909 1.00 64.72 ? 3 THR I CG2 1 ? ? +17862 ATOM C C . THR H 8 3 ? 56.509 -22.584 -44.376 1.00 61.37 ? 3 THR I C 1 ? ? +17863 ATOM O O . THR H 8 3 ? 56.932 -23.520 -43.693 1.00 60.85 ? 3 THR I O 1 ? ? +17864 ATOM N N . LEU H 8 4 ? 55.204 -22.356 -44.614 1.00 59.55 ? 4 LEU I N 1 ? ? +17865 ATOM C CA . LEU H 8 4 ? 54.175 -23.251 -44.120 1.00 57.78 ? 4 LEU I CA 1 ? ? +17866 ATOM C CB . LEU H 8 4 ? 52.810 -22.791 -44.597 1.00 57.26 ? 4 LEU I CB 1 ? ? +17867 ATOM C CG . LEU H 8 4 ? 51.677 -23.673 -44.155 1.00 56.57 ? 4 LEU I CG 1 ? ? +17868 ATOM C CD1 . LEU H 8 4 ? 51.604 -23.723 -42.651 1.00 56.46 ? 4 LEU I CD1 1 ? ? +17869 ATOM C CD2 . LEU H 8 4 ? 50.364 -23.189 -44.733 1.00 56.12 ? 4 LEU I CD2 1 ? ? +17870 ATOM C C . LEU H 8 4 ? 54.425 -24.685 -44.581 1.00 57.08 ? 4 LEU I C 1 ? ? +17871 ATOM O O . LEU H 8 4 ? 54.370 -25.616 -43.783 1.00 56.68 ? 4 LEU I O 1 ? ? +17872 ATOM N N . LYS H 8 5 ? 54.694 -24.850 -45.879 1.00 56.65 ? 5 LYS I N 1 ? ? +17873 ATOM C CA . LYS H 8 5 ? 54.959 -26.161 -46.442 1.00 56.54 ? 5 LYS I CA 1 ? ? +17874 ATOM C CB . LYS H 8 5 ? 55.235 -26.052 -47.950 1.00 56.91 ? 5 LYS I CB 1 ? ? +17875 ATOM C CG . LYS H 8 5 ? 55.470 -27.385 -48.641 1.00 57.21 ? 5 LYS I CG 1 ? ? +17876 ATOM C CD . LYS H 8 5 ? 55.812 -27.198 -50.090 1.00 57.75 ? 5 LYS I CD 1 ? ? +17877 ATOM C CE . LYS H 8 5 ? 56.099 -28.514 -50.765 1.00 58.16 ? 5 LYS I CE 1 ? ? +17878 ATOM N NZ . LYS H 8 5 ? 56.464 -28.341 -52.207 1.00 58.65 ? 5 LYS I NZ 1 ? ? +17879 ATOM C C . LYS H 8 5 ? 56.119 -26.852 -45.722 1.00 56.87 ? 5 LYS I C 1 ? ? +17880 ATOM O O . LYS H 8 5 ? 55.946 -27.976 -45.256 1.00 56.62 ? 5 LYS I O 1 ? ? +17881 ATOM N N . ILE H 8 6 ? 57.286 -26.182 -45.620 1.00 57.18 ? 6 ILE I N 1 ? ? +17882 ATOM C CA . ILE H 8 6 ? 58.438 -26.769 -44.949 1.00 57.53 ? 6 ILE I CA 1 ? ? +17883 ATOM C CB . ILE H 8 6 ? 59.709 -25.830 -44.940 1.00 58.50 ? 6 ILE I CB 1 ? ? +17884 ATOM C CG1 . ILE H 8 6 ? 60.161 -25.370 -46.349 1.00 58.96 ? 6 ILE I CG1 1 ? ? +17885 ATOM C CG2 . ILE H 8 6 ? 60.876 -26.500 -44.216 1.00 59.19 ? 6 ILE I CG2 1 ? ? +17886 ATOM C CD1 . ILE H 8 6 ? 60.347 -26.536 -47.377 1.00 59.23 ? 6 ILE I CD1 1 ? ? +17887 ATOM C C . ILE H 8 6 ? 58.078 -27.165 -43.517 1.00 56.91 ? 6 ILE I C 1 ? ? +17888 ATOM O O . ILE H 8 6 ? 58.404 -28.259 -43.074 1.00 56.93 ? 6 ILE I O 1 ? ? +17889 ATOM N N . THR H 8 7 ? 57.428 -26.261 -42.783 1.00 56.37 ? 7 THR I N 1 ? ? +17890 ATOM C CA . THR H 8 7 ? 57.000 -26.543 -41.421 1.00 56.05 ? 7 THR I CA 1 ? ? +17891 ATOM C CB . THR H 8 7 ? 56.206 -25.341 -40.865 1.00 55.68 ? 7 THR I CB 1 ? ? +17892 ATOM O OG1 . THR H 8 7 ? 57.015 -24.184 -40.977 1.00 56.11 ? 7 THR I OG1 1 ? ? +17893 ATOM C CG2 . THR H 8 7 ? 55.788 -25.516 -39.403 1.00 55.40 ? 7 THR I CG2 1 ? ? +17894 ATOM C C . THR H 8 7 ? 56.185 -27.836 -41.316 1.00 55.47 ? 7 THR I C 1 ? ? +17895 ATOM O O . THR H 8 7 ? 56.513 -28.705 -40.506 1.00 55.62 ? 7 THR I O 1 ? ? +17896 ATOM N N . VAL H 8 8 ? 55.134 -27.970 -42.140 1.00 54.68 ? 8 VAL I N 1 ? ? +17897 ATOM C CA . VAL H 8 8 ? 54.295 -29.160 -42.108 1.00 54.10 ? 8 VAL I CA 1 ? ? +17898 ATOM C CB . VAL H 8 8 ? 53.010 -29.022 -42.991 1.00 53.41 ? 8 VAL I CB 1 ? ? +17899 ATOM C CG1 . VAL H 8 8 ? 52.154 -30.302 -42.950 1.00 53.04 ? 8 VAL I CG1 1 ? ? +17900 ATOM C CG2 . VAL H 8 8 ? 52.150 -27.834 -42.552 1.00 52.89 ? 8 VAL I CG2 1 ? ? +17901 ATOM C C . VAL H 8 8 ? 55.109 -30.404 -42.471 1.00 54.53 ? 8 VAL I C 1 ? ? +17902 ATOM O O . VAL H 8 8 ? 54.992 -31.432 -41.818 1.00 54.39 ? 8 VAL I O 1 ? ? +17903 ATOM N N . TYR H 8 9 ? 55.961 -30.316 -43.493 1.00 55.18 ? 9 TYR I N 1 ? ? +17904 ATOM C CA . TYR H 8 9 ? 56.869 -31.415 -43.824 1.00 55.85 ? 9 TYR I CA 1 ? ? +17905 ATOM C CB . TYR H 8 9 ? 57.797 -31.051 -44.999 1.00 56.70 ? 9 TYR I CB 1 ? ? +17906 ATOM C CG . TYR H 8 9 ? 57.201 -31.316 -46.357 1.00 56.85 ? 9 TYR I CG 1 ? ? +17907 ATOM C CD1 . TYR H 8 9 ? 55.926 -30.857 -46.686 1.00 56.52 ? 9 TYR I CD1 1 ? ? +17908 ATOM C CD2 . TYR H 8 9 ? 57.893 -32.038 -47.308 1.00 57.58 ? 9 TYR I CD2 1 ? ? +17909 ATOM C CE1 . TYR H 8 9 ? 55.355 -31.124 -47.931 1.00 56.46 ? 9 TYR I CE1 1 ? ? +17910 ATOM C CE2 . TYR H 8 9 ? 57.346 -32.292 -48.564 1.00 57.69 ? 9 TYR I CE2 1 ? ? +17911 ATOM C CZ . TYR H 8 9 ? 56.075 -31.834 -48.872 1.00 57.16 ? 9 TYR I CZ 1 ? ? +17912 ATOM O OH . TYR H 8 9 ? 55.550 -32.089 -50.114 1.00 57.44 ? 9 TYR I OH 1 ? ? +17913 ATOM C C . TYR H 8 9 ? 57.713 -31.875 -42.631 1.00 56.00 ? 9 TYR I C 1 ? ? +17914 ATOM O O . TYR H 8 9 ? 57.901 -33.073 -42.416 1.00 56.21 ? 9 TYR I O 1 ? ? +17915 ATOM N N . ILE H 8 10 ? 58.201 -30.920 -41.840 1.00 55.87 ? 10 ILE I N 1 ? ? +17916 ATOM C CA . ILE H 8 10 ? 59.043 -31.246 -40.701 1.00 56.18 ? 10 ILE I CA 1 ? ? +17917 ATOM C CB . ILE H 8 10 ? 59.848 -29.999 -40.246 1.00 56.68 ? 10 ILE I CB 1 ? ? +17918 ATOM C CG1 . ILE H 8 10 ? 61.038 -29.762 -41.208 1.00 57.48 ? 10 ILE I CG1 1 ? ? +17919 ATOM C CG2 . ILE H 8 10 ? 60.321 -30.128 -38.794 1.00 56.96 ? 10 ILE I CG2 1 ? ? +17920 ATOM C CD1 . ILE H 8 10 ? 61.688 -28.391 -41.055 1.00 57.93 ? 10 ILE I CD1 1 ? ? +17921 ATOM C C . ILE H 8 10 ? 58.206 -31.863 -39.585 1.00 55.36 ? 10 ILE I C 1 ? ? +17922 ATOM O O . ILE H 8 10 ? 58.567 -32.897 -39.019 1.00 55.56 ? 10 ILE I O 1 ? ? +17923 ATOM N N . VAL H 8 11 ? 57.080 -31.220 -39.272 1.00 54.38 ? 11 VAL I N 1 ? ? +17924 ATOM C CA . VAL H 8 11 ? 56.171 -31.747 -38.264 1.00 53.63 ? 11 VAL I CA 1 ? ? +17925 ATOM C CB . VAL H 8 11 ? 54.975 -30.805 -38.093 1.00 52.93 ? 11 VAL I CB 1 ? ? +17926 ATOM C CG1 . VAL H 8 11 ? 53.819 -31.483 -37.375 1.00 52.38 ? 11 VAL I CG1 1 ? ? +17927 ATOM C CG2 . VAL H 8 11 ? 55.387 -29.532 -37.372 1.00 53.13 ? 11 VAL I CG2 1 ? ? +17928 ATOM C C . VAL H 8 11 ? 55.749 -33.181 -38.587 1.00 53.21 ? 11 VAL I C 1 ? ? +17929 ATOM O O . VAL H 8 11 ? 55.792 -34.053 -37.724 1.00 53.17 ? 11 VAL I O 1 ? ? +17930 ATOM N N . VAL H 8 12 ? 55.375 -33.434 -39.846 1.00 52.85 ? 12 VAL I N 1 ? ? +17931 ATOM C CA . VAL H 8 12 ? 54.889 -34.748 -40.225 1.00 52.51 ? 12 VAL I CA 1 ? ? +17932 ATOM C CB . VAL H 8 12 ? 54.249 -34.746 -41.622 1.00 52.22 ? 12 VAL I CB 1 ? ? +17933 ATOM C CG1 . VAL H 8 12 ? 54.065 -36.160 -42.154 1.00 52.26 ? 12 VAL I CG1 1 ? ? +17934 ATOM C CG2 . VAL H 8 12 ? 52.908 -33.998 -41.599 1.00 51.43 ? 12 VAL I CG2 1 ? ? +17935 ATOM C C . VAL H 8 12 ? 56.016 -35.761 -40.066 1.00 53.07 ? 12 VAL I C 1 ? ? +17936 ATOM O O . VAL H 8 12 ? 55.827 -36.762 -39.382 1.00 52.94 ? 12 VAL I O 1 ? ? +17937 ATOM N N . THR H 8 13 ? 57.191 -35.471 -40.654 1.00 53.64 ? 13 THR I N 1 ? ? +17938 ATOM C CA . THR H 8 13 ? 58.355 -36.338 -40.514 1.00 54.30 ? 13 THR I CA 1 ? ? +17939 ATOM C CB . THR H 8 13 ? 59.597 -35.698 -41.165 1.00 55.02 ? 13 THR I CB 1 ? ? +17940 ATOM O OG1 . THR H 8 13 ? 59.311 -35.429 -42.525 1.00 54.85 ? 13 THR I OG1 1 ? ? +17941 ATOM C CG2 . THR H 8 13 ? 60.810 -36.586 -41.096 1.00 55.85 ? 13 THR I CG2 1 ? ? +17942 ATOM C C . THR H 8 13 ? 58.617 -36.709 -39.055 1.00 54.41 ? 13 THR I C 1 ? ? +17943 ATOM O O . THR H 8 13 ? 58.794 -37.878 -38.736 1.00 54.60 ? 13 THR I O 1 ? ? +17944 ATOM N N . PHE H 8 14 ? 58.626 -35.706 -38.174 1.00 54.33 ? 14 PHE I N 1 ? ? +17945 ATOM C CA . PHE H 8 14 ? 58.842 -35.933 -36.752 1.00 54.56 ? 14 PHE I CA 1 ? ? +17946 ATOM C CB . PHE H 8 14 ? 58.726 -34.595 -36.003 1.00 54.41 ? 14 PHE I CB 1 ? ? +17947 ATOM C CG . PHE H 8 14 ? 58.900 -34.682 -34.503 1.00 54.63 ? 14 PHE I CG 1 ? ? +17948 ATOM C CD1 . PHE H 8 14 ? 60.131 -34.976 -33.947 1.00 55.51 ? 14 PHE I CD1 1 ? ? +17949 ATOM C CD2 . PHE H 8 14 ? 57.838 -34.433 -33.652 1.00 54.03 ? 14 PHE I CD2 1 ? ? +17950 ATOM C CE1 . PHE H 8 14 ? 60.287 -35.034 -32.561 1.00 55.72 ? 14 PHE I CE1 1 ? ? +17951 ATOM C CE2 . PHE H 8 14 ? 57.990 -34.501 -32.272 1.00 54.21 ? 14 PHE I CE2 1 ? ? +17952 ATOM C CZ . PHE H 8 14 ? 59.204 -34.807 -31.737 1.00 55.07 ? 14 PHE I CZ 1 ? ? +17953 ATOM C C . PHE H 8 14 ? 57.891 -36.985 -36.168 1.00 54.12 ? 14 PHE I C 1 ? ? +17954 ATOM O O . PHE H 8 14 ? 58.336 -37.988 -35.606 1.00 54.41 ? 14 PHE I O 1 ? ? +17955 ATOM N N . PHE H 8 15 ? 56.571 -36.771 -36.331 1.00 53.37 ? 15 PHE I N 1 ? ? +17956 ATOM C CA . PHE H 8 15 ? 55.600 -37.685 -35.750 1.00 53.02 ? 15 PHE I CA 1 ? ? +17957 ATOM C CB . PHE H 8 15 ? 54.158 -37.128 -35.879 1.00 52.16 ? 15 PHE I CB 1 ? ? +17958 ATOM C CG . PHE H 8 15 ? 53.862 -36.054 -34.869 1.00 51.96 ? 15 PHE I CG 1 ? ? +17959 ATOM C CD1 . PHE H 8 15 ? 53.692 -36.364 -33.533 1.00 51.98 ? 15 PHE I CD1 1 ? ? +17960 ATOM C CD2 . PHE H 8 15 ? 53.786 -34.728 -35.246 1.00 51.83 ? 15 PHE I CD2 1 ? ? +17961 ATOM C CE1 . PHE H 8 15 ? 53.428 -35.360 -32.601 1.00 51.81 ? 15 PHE I CE1 1 ? ? +17962 ATOM C CE2 . PHE H 8 15 ? 53.523 -33.732 -34.308 1.00 51.65 ? 15 PHE I CE2 1 ? ? +17963 ATOM C CZ . PHE H 8 15 ? 53.351 -34.053 -32.995 1.00 51.64 ? 15 PHE I CZ 1 ? ? +17964 ATOM C C . PHE H 8 15 ? 55.670 -39.095 -36.335 1.00 53.31 ? 15 PHE I C 1 ? ? +17965 ATOM O O . PHE H 8 15 ? 55.490 -40.075 -35.610 1.00 53.25 ? 15 PHE I O 1 ? ? +17966 ATOM N N . VAL H 8 16 ? 55.942 -39.193 -37.642 1.00 53.71 ? 16 VAL I N 1 ? ? +17967 ATOM C CA . VAL H 8 16 ? 56.066 -40.493 -38.285 1.00 54.20 ? 16 VAL I CA 1 ? ? +17968 ATOM C CB . VAL H 8 16 ? 56.124 -40.397 -39.829 1.00 54.36 ? 16 VAL I CB 1 ? ? +17969 ATOM C CG1 . VAL H 8 16 ? 56.145 -41.785 -40.454 1.00 54.70 ? 16 VAL I CG1 1 ? ? +17970 ATOM C CG2 . VAL H 8 16 ? 54.967 -39.593 -40.388 1.00 53.62 ? 16 VAL I CG2 1 ? ? +17971 ATOM C C . VAL H 8 16 ? 57.289 -41.245 -37.752 1.00 55.19 ? 16 VAL I C 1 ? ? +17972 ATOM O O . VAL H 8 16 ? 57.224 -42.457 -37.536 1.00 55.41 ? 16 VAL I O 1 ? ? +17973 ATOM N N . LEU H 8 17 ? 58.401 -40.527 -37.539 1.00 55.88 ? 17 LEU I N 1 ? ? +17974 ATOM C CA . LEU H 8 17 ? 59.610 -41.150 -37.023 1.00 56.87 ? 17 LEU I CA 1 ? ? +17975 ATOM C CB . LEU H 8 17 ? 60.789 -40.155 -36.997 1.00 57.56 ? 17 LEU I CB 1 ? ? +17976 ATOM C CG . LEU H 8 17 ? 61.348 -39.688 -38.348 1.00 57.90 ? 17 LEU I CG 1 ? ? +17977 ATOM C CD1 . LEU H 8 17 ? 62.506 -38.715 -38.142 1.00 58.62 ? 17 LEU I CD1 1 ? ? +17978 ATOM C CD2 . LEU H 8 17 ? 61.829 -40.855 -39.214 1.00 58.36 ? 17 LEU I CD2 1 ? ? +17979 ATOM C C . LEU H 8 17 ? 59.357 -41.690 -35.616 1.00 56.93 ? 17 LEU I C 1 ? ? +17980 ATOM O O . LEU H 8 17 ? 59.839 -42.765 -35.273 1.00 57.36 ? 17 LEU I O 1 ? ? +17981 ATOM N N . LEU H 8 18 ? 58.586 -40.949 -34.809 1.00 56.50 ? 18 LEU I N 1 ? ? +17982 ATOM C CA . LEU H 8 18 ? 58.214 -41.400 -33.475 1.00 56.55 ? 18 LEU I CA 1 ? ? +17983 ATOM C CB . LEU H 8 18 ? 57.379 -40.343 -32.750 1.00 55.98 ? 18 LEU I CB 1 ? ? +17984 ATOM C CG . LEU H 8 18 ? 58.072 -39.042 -32.391 1.00 56.30 ? 18 LEU I CG 1 ? ? +17985 ATOM C CD1 . LEU H 8 18 ? 57.104 -38.101 -31.702 1.00 55.66 ? 18 LEU I CD1 1 ? ? +17986 ATOM C CD2 . LEU H 8 18 ? 59.303 -39.268 -31.509 1.00 57.16 ? 18 LEU I CD2 1 ? ? +17987 ATOM C C . LEU H 8 18 ? 57.405 -42.695 -33.524 1.00 56.39 ? 18 LEU I C 1 ? ? +17988 ATOM O O . LEU H 8 18 ? 57.584 -43.584 -32.698 1.00 56.70 ? 18 LEU I O 1 ? ? +17989 ATOM N N . PHE H 8 19 ? 56.491 -42.780 -34.489 1.00 55.98 ? 19 PHE I N 1 ? ? +17990 ATOM C CA . PHE H 8 19 ? 55.668 -43.962 -34.665 1.00 55.87 ? 19 PHE I CA 1 ? ? +17991 ATOM C CB . PHE H 8 19 ? 54.657 -43.729 -35.804 1.00 55.16 ? 19 PHE I CB 1 ? ? +17992 ATOM C CG . PHE H 8 19 ? 53.721 -44.881 -36.056 1.00 54.89 ? 19 PHE I CG 1 ? ? +17993 ATOM C CD1 . PHE H 8 19 ? 52.548 -45.016 -35.329 1.00 54.37 ? 19 PHE I CD1 1 ? ? +17994 ATOM C CD2 . PHE H 8 19 ? 54.007 -45.830 -37.023 1.00 55.21 ? 19 PHE I CD2 1 ? ? +17995 ATOM C CE1 . PHE H 8 19 ? 51.674 -46.078 -35.569 1.00 54.11 ? 19 PHE I CE1 1 ? ? +17996 ATOM C CE2 . PHE H 8 19 ? 53.145 -46.897 -37.248 1.00 54.96 ? 19 PHE I CE2 1 ? ? +17997 ATOM C CZ . PHE H 8 19 ? 51.979 -47.012 -36.523 1.00 54.42 ? 19 PHE I CZ 1 ? ? +17998 ATOM C C . PHE H 8 19 ? 56.559 -45.165 -34.969 1.00 56.67 ? 19 PHE I C 1 ? ? +17999 ATOM O O . PHE H 8 19 ? 56.510 -46.189 -34.289 1.00 56.74 ? 19 PHE I O 1 ? ? +18000 ATOM N N . VAL H 8 20 ? 57.371 -45.015 -36.013 1.00 57.35 ? 20 VAL I N 1 ? ? +18001 ATOM C CA . VAL H 8 20 ? 58.175 -46.116 -36.513 1.00 58.36 ? 20 VAL I CA 1 ? ? +18002 ATOM C CB . VAL H 8 20 ? 58.841 -45.727 -37.848 1.00 58.83 ? 20 VAL I CB 1 ? ? +18003 ATOM C CG1 . VAL H 8 20 ? 59.869 -46.771 -38.290 1.00 59.67 ? 20 VAL I CG1 1 ? ? +18004 ATOM C CG2 . VAL H 8 20 ? 57.788 -45.506 -38.923 1.00 58.23 ? 20 VAL I CG2 1 ? ? +18005 ATOM C C . VAL H 8 20 ? 59.194 -46.584 -35.473 1.00 59.24 ? 20 VAL I C 1 ? ? +18006 ATOM O O . VAL H 8 20 ? 59.342 -47.788 -35.256 1.00 59.52 ? 20 VAL I O 1 ? ? +18007 ATOM N N . PHE H 8 21 ? 59.875 -45.634 -34.820 1.00 59.74 ? 21 PHE I N 1 ? ? +18008 ATOM C CA . PHE H 8 21 ? 60.913 -46.001 -33.865 1.00 60.83 ? 21 PHE I CA 1 ? ? +18009 ATOM C CB . PHE H 8 21 ? 61.881 -44.838 -33.587 1.00 61.58 ? 21 PHE I CB 1 ? ? +18010 ATOM C CG . PHE H 8 21 ? 62.912 -44.602 -34.666 1.00 62.51 ? 21 PHE I CG 1 ? ? +18011 ATOM C CD1 . PHE H 8 21 ? 64.015 -45.441 -34.795 1.00 63.90 ? 21 PHE I CD1 1 ? ? +18012 ATOM C CD2 . PHE H 8 21 ? 62.791 -43.535 -35.535 1.00 62.34 ? 21 PHE I CD2 1 ? ? +18013 ATOM C CE1 . PHE H 8 21 ? 64.991 -45.199 -35.783 1.00 64.68 ? 21 PHE I CE1 1 ? ? +18014 ATOM C CE2 . PHE H 8 21 ? 63.729 -43.310 -36.533 1.00 63.23 ? 21 PHE I CE2 1 ? ? +18015 ATOM C CZ . PHE H 8 21 ? 64.837 -44.133 -36.646 1.00 64.36 ? 21 PHE I CZ 1 ? ? +18016 ATOM C C . PHE H 8 21 ? 60.262 -46.516 -32.583 1.00 60.52 ? 21 PHE I C 1 ? ? +18017 ATOM O O . PHE H 8 21 ? 60.832 -47.362 -31.896 1.00 61.00 ? 21 PHE I O 1 ? ? +18018 ATOM N N . GLY H 8 22 ? 59.050 -46.019 -32.294 1.00 59.59 ? 22 GLY I N 1 ? ? +18019 ATOM C CA . GLY H 8 22 ? 58.281 -46.475 -31.149 1.00 59.26 ? 22 GLY I CA 1 ? ? +18020 ATOM C C . GLY H 8 22 ? 57.958 -47.963 -31.224 1.00 59.45 ? 22 GLY I C 1 ? ? +18021 ATOM O O . GLY H 8 22 ? 58.192 -48.708 -30.274 1.00 59.79 ? 22 GLY I O 1 ? ? +18022 ATOM N N . PHE H 8 23 ? 57.428 -48.390 -32.373 1.00 59.29 ? 23 PHE I N 1 ? ? +18023 ATOM C CA . PHE H 8 23 ? 57.098 -49.788 -32.579 1.00 59.62 ? 23 PHE I CA 1 ? ? +18024 ATOM C CB . PHE H 8 23 ? 56.127 -49.959 -33.761 1.00 58.90 ? 23 PHE I CB 1 ? ? +18025 ATOM C CG . PHE H 8 23 ? 54.665 -49.879 -33.350 1.00 57.97 ? 23 PHE I CG 1 ? ? +18026 ATOM C CD1 . PHE H 8 23 ? 54.130 -50.787 -32.456 1.00 57.92 ? 23 PHE I CD1 1 ? ? +18027 ATOM C CD2 . PHE H 8 23 ? 53.835 -48.904 -33.865 1.00 57.18 ? 23 PHE I CD2 1 ? ? +18028 ATOM C CE1 . PHE H 8 23 ? 52.789 -50.714 -32.080 1.00 57.15 ? 23 PHE I CE1 1 ? ? +18029 ATOM C CE2 . PHE H 8 23 ? 52.493 -48.836 -33.490 1.00 56.49 ? 23 PHE I CE2 1 ? ? +18030 ATOM C CZ . PHE H 8 23 ? 51.985 -49.735 -32.594 1.00 56.46 ? 23 PHE I CZ 1 ? ? +18031 ATOM C C . PHE H 8 23 ? 58.321 -50.683 -32.756 1.00 60.95 ? 23 PHE I C 1 ? ? +18032 ATOM O O . PHE H 8 23 ? 58.216 -51.880 -32.511 1.00 61.45 ? 23 PHE I O 1 ? ? +18033 ATOM N N . LEU H 8 24 ? 59.468 -50.107 -33.157 1.00 61.89 ? 24 LEU I N 1 ? ? +18034 ATOM C CA . LEU H 8 24 ? 60.728 -50.842 -33.228 1.00 63.13 ? 24 LEU I CA 1 ? ? +18035 ATOM C CB . LEU H 8 24 ? 61.733 -50.101 -34.129 1.00 63.80 ? 24 LEU I CB 1 ? ? +18036 ATOM C CG . LEU H 8 24 ? 61.485 -50.112 -35.635 1.00 63.82 ? 24 LEU I CG 1 ? ? +18037 ATOM C CD1 . LEU H 8 24 ? 62.566 -49.267 -36.352 1.00 64.44 ? 24 LEU I CD1 1 ? ? +18038 ATOM C CD2 . LEU H 8 24 ? 61.447 -51.536 -36.205 1.00 64.14 ? 24 LEU I CD2 1 ? ? +18039 ATOM C C . LEU H 8 24 ? 61.411 -51.039 -31.874 1.00 63.97 ? 24 LEU I C 1 ? ? +18040 ATOM O O . LEU H 8 24 ? 62.418 -51.752 -31.776 1.00 65.27 ? 24 LEU I O 1 ? ? +18041 ATOM N N . SER H 8 25 ? 60.906 -50.353 -30.841 1.00 63.60 ? 25 SER I N 1 ? ? +18042 ATOM C CA . SER H 8 25 ? 61.528 -50.348 -29.526 1.00 64.07 ? 25 SER I CA 1 ? ? +18043 ATOM C CB . SER H 8 25 ? 61.364 -48.974 -28.883 1.00 63.66 ? 25 SER I CB 1 ? ? +18044 ATOM O OG . SER H 8 25 ? 61.961 -47.973 -29.689 1.00 63.64 ? 25 SER I OG 1 ? ? +18045 ATOM C C . SER H 8 25 ? 60.987 -51.440 -28.605 1.00 64.09 ? 25 SER I C 1 ? ? +18046 ATOM O O . SER H 8 25 ? 60.554 -51.161 -27.490 1.00 63.77 ? 25 SER I O 1 ? ? +18047 ATOM N N . GLY H 8 26 ? 61.031 -52.690 -29.080 1.00 64.32 ? 26 GLY I N 1 ? ? +18048 ATOM C CA . GLY H 8 26 ? 60.676 -53.840 -28.263 1.00 64.60 ? 26 GLY I CA 1 ? ? +18049 ATOM C C . GLY H 8 26 ? 59.198 -53.876 -27.886 1.00 63.71 ? 26 GLY I C 1 ? ? +18050 ATOM O O . GLY H 8 26 ? 58.836 -54.225 -26.763 1.00 63.76 ? 26 GLY I O 1 ? ? +18051 ATOM N N . ASP H 8 27 ? 58.343 -53.519 -28.843 1.00 62.83 ? 27 ASP I N 1 ? ? +18052 ATOM C CA . ASP H 8 27 ? 56.924 -53.428 -28.568 1.00 62.00 ? 27 ASP I CA 1 ? ? +18053 ATOM C CB . ASP H 8 27 ? 56.159 -52.864 -29.762 1.00 61.29 ? 27 ASP I CB 1 ? ? +18054 ATOM C CG . ASP H 8 27 ? 54.778 -52.446 -29.343 1.00 60.39 ? 27 ASP I CG 1 ? ? +18055 ATOM O OD1 . ASP H 8 27 ? 54.668 -51.497 -28.554 1.00 60.21 ? 27 ASP I OD1 1 ? ? +18056 ATOM O OD2 . ASP H 8 27 ? 53.818 -53.096 -29.759 1.00 60.16 ? 27 ASP I OD2 1 ? ? +18057 ATOM C C . ASP H 8 27 ? 56.290 -54.756 -28.155 1.00 62.00 ? 27 ASP I C 1 ? ? +18058 ATOM O O . ASP H 8 27 ? 55.454 -54.775 -27.251 1.00 61.83 ? 27 ASP I O 1 ? ? +18059 ATOM N N . PRO H 8 28 ? 56.624 -55.900 -28.795 1.00 62.25 ? 28 PRO I N 1 ? ? +18060 ATOM C CA . PRO H 8 28 ? 56.082 -57.191 -28.371 1.00 62.45 ? 28 PRO I CA 1 ? ? +18061 ATOM C CB . PRO H 8 28 ? 56.842 -58.193 -29.232 1.00 62.90 ? 28 PRO I CB 1 ? ? +18062 ATOM C CG . PRO H 8 28 ? 57.155 -57.410 -30.480 1.00 62.69 ? 28 PRO I CG 1 ? ? +18063 ATOM C CD . PRO H 8 28 ? 57.491 -56.027 -29.976 1.00 62.60 ? 28 PRO I CD 1 ? ? +18064 ATOM C C . PRO H 8 28 ? 56.243 -57.467 -26.880 1.00 63.18 ? 28 PRO I C 1 ? ? +18065 ATOM O O . PRO H 8 28 ? 55.374 -58.092 -26.281 1.00 63.37 ? 28 PRO I O 1 ? ? +18066 ATOM N N . ALA H 8 29 ? 57.333 -56.965 -26.287 1.00 63.92 ? 29 ALA I N 1 ? ? +18067 ATOM C CA . ALA H 8 29 ? 57.611 -57.159 -24.871 1.00 64.50 ? 29 ALA I CA 1 ? ? +18068 ATOM C CB . ALA H 8 29 ? 59.092 -56.895 -24.602 1.00 65.25 ? 29 ALA I CB 1 ? ? +18069 ATOM C C . ALA H 8 29 ? 56.752 -56.306 -23.935 1.00 64.14 ? 29 ALA I C 1 ? ? +18070 ATOM O O . ALA H 8 29 ? 56.641 -56.621 -22.751 1.00 64.12 ? 29 ALA I O 1 ? ? +18071 ATOM N N . ARG H 8 30 ? 56.156 -55.229 -24.468 1.00 63.98 ? 30 ARG I N 1 ? ? +18072 ATOM C CA . ARG H 8 30 ? 55.335 -54.317 -23.681 1.00 63.90 ? 30 ARG I CA 1 ? ? +18073 ATOM C CB . ARG H 8 30 ? 55.303 -52.932 -24.318 1.00 63.62 ? 30 ARG I CB 1 ? ? +18074 ATOM C CG . ARG H 8 30 ? 56.669 -52.248 -24.344 1.00 64.61 ? 30 ARG I CG 1 ? ? +18075 ATOM C CD . ARG H 8 30 ? 56.565 -50.884 -24.986 1.00 64.45 ? 30 ARG I CD 1 ? ? +18076 ATOM N NE . ARG H 8 30 ? 57.865 -50.390 -25.410 1.00 65.23 ? 30 ARG I NE 1 ? ? +18077 ATOM C CZ . ARG H 8 30 ? 58.796 -49.952 -24.583 1.00 65.94 ? 30 ARG I CZ 1 ? ? +18078 ATOM N NH1 . ARG H 8 30 ? 58.498 -49.555 -23.358 1.00 66.13 ? 30 ARG I NH1 1 ? ? +18079 ATOM N NH2 . ARG H 8 30 ? 60.051 -49.863 -25.013 1.00 66.60 ? 30 ARG I NH2 1 ? ? +18080 ATOM C C . ARG H 8 30 ? 53.919 -54.856 -23.515 1.00 63.68 ? 30 ARG I C 1 ? ? +18081 ATOM O O . ARG H 8 30 ? 52.964 -54.336 -24.089 1.00 63.12 ? 30 ARG I O 1 ? ? +18082 ATOM N N . ASN H 8 31 ? 53.808 -55.920 -22.719 1.00 64.59 ? 31 ASN I N 1 ? ? +18083 ATOM C CA . ASN H 8 31 ? 52.538 -56.562 -22.432 1.00 64.73 ? 31 ASN I CA 1 ? ? +18084 ATOM C CB . ASN H 8 31 ? 52.228 -57.655 -23.469 1.00 64.73 ? 31 ASN I CB 1 ? ? +18085 ATOM C CG . ASN H 8 31 ? 53.069 -58.897 -23.346 1.00 65.63 ? 31 ASN I CG 1 ? ? +18086 ATOM O OD1 . ASN H 8 31 ? 54.092 -59.062 -24.000 1.00 66.25 ? 31 ASN I OD1 1 ? ? +18087 ATOM N ND2 . ASN H 8 31 ? 52.668 -59.797 -22.506 1.00 65.86 ? 31 ASN I ND2 1 ? ? +18088 ATOM C C . ASN H 8 31 ? 52.631 -57.079 -21.000 1.00 65.77 ? 31 ASN I C 1 ? ? +18089 ATOM O O . ASN H 8 31 ? 53.720 -57.140 -20.444 1.00 66.66 ? 31 ASN I O 1 ? ? +18090 ATOM N N . PRO H 8 32 ? 51.504 -57.406 -20.331 1.00 66.32 ? 32 PRO I N 1 ? ? +18091 ATOM C CA . PRO H 8 32 ? 51.544 -57.764 -18.913 1.00 67.51 ? 32 PRO I CA 1 ? ? +18092 ATOM C CB . PRO H 8 32 ? 50.113 -57.476 -18.469 1.00 66.49 ? 32 PRO I CB 1 ? ? +18093 ATOM C CG . PRO H 8 32 ? 49.278 -57.734 -19.717 1.00 65.68 ? 32 PRO I CG 1 ? ? +18094 ATOM C CD . PRO H 8 32 ? 50.140 -57.374 -20.888 1.00 65.59 ? 32 PRO I CD 1 ? ? +18095 ATOM C C . PRO H 8 32 ? 51.940 -59.198 -18.562 1.00 69.80 ? 32 PRO I C 1 ? ? +18096 ATOM O O . PRO H 8 32 ? 52.160 -59.477 -17.390 1.00 70.60 ? 32 PRO I O 1 ? ? +18097 ATOM N N . LYS H 8 33 ? 52.036 -60.090 -19.562 1.00 72.09 ? 33 LYS I N 1 ? ? +18098 ATOM C CA . LYS H 8 33 ? 52.397 -61.489 -19.355 1.00 75.48 ? 33 LYS I CA 1 ? ? +18099 ATOM C CB . LYS H 8 33 ? 51.386 -62.409 -20.084 1.00 75.20 ? 33 LYS I CB 1 ? ? +18100 ATOM C CG . LYS H 8 33 ? 49.955 -62.346 -19.566 1.00 74.62 ? 33 LYS I CG 1 ? ? +18101 ATOM C CD . LYS H 8 33 ? 49.827 -62.844 -18.146 1.00 75.57 ? 33 LYS I CD 1 ? ? +18102 ATOM C CE . LYS H 8 33 ? 48.490 -62.528 -17.534 1.00 74.95 ? 33 LYS I CE 1 ? ? +18103 ATOM N NZ . LYS H 8 33 ? 48.525 -62.664 -16.050 1.00 75.32 ? 33 LYS I NZ 1 ? ? +18104 ATOM C C . LYS H 8 33 ? 53.833 -61.804 -19.789 1.00 79.70 ? 33 LYS I C 1 ? ? +18105 ATOM O O . LYS H 8 33 ? 54.765 -61.394 -19.117 1.00 81.39 ? 33 LYS I O 1 ? ? +18106 ATOM N N . ARG H 8 34 ? 54.015 -62.531 -20.899 1.00 84.68 ? 34 ARG I N 1 ? ? +18107 ATOM C CA . ARG H 8 34 ? 55.332 -62.918 -21.377 1.00 92.27 ? 34 ARG I CA 1 ? ? +18108 ATOM C CB . ARG H 8 34 ? 55.196 -64.062 -22.406 1.00 97.71 ? 34 ARG I CB 1 ? ? +18109 ATOM C CG . ARG H 8 34 ? 54.580 -65.338 -21.834 1.00 103.78 ? 34 ARG I CG 1 ? ? +18110 ATOM C CD . ARG H 8 34 ? 54.424 -66.439 -22.860 1.00 110.05 ? 34 ARG I CD 1 ? ? +18111 ATOM N NE . ARG H 8 34 ? 53.970 -67.675 -22.228 1.00 117.31 ? 34 ARG I NE 1 ? ? +18112 ATOM C CZ . ARG H 8 34 ? 53.913 -68.860 -22.826 1.00 123.99 ? 34 ARG I CZ 1 ? ? +18113 ATOM N NH1 . ARG H 8 34 ? 53.816 -68.967 -24.143 1.00 126.65 ? 34 ARG I NH1 1 ? ? +18114 ATOM N NH2 . ARG H 8 34 ? 53.936 -69.966 -22.082 1.00 125.99 ? 34 ARG I NH2 1 ? ? +18115 ATOM C C . ARG H 8 34 ? 56.075 -61.738 -22.004 1.00 95.03 ? 34 ARG I C 1 ? ? +18116 ATOM O O . ARG H 8 34 ? 55.611 -61.175 -22.991 1.00 95.83 ? 34 ARG I O 1 ? ? +18117 ATOM N N . LYS H 8 35 ? 57.218 -61.365 -21.417 1.00 99.42 ? 35 LYS I N 1 ? ? +18118 ATOM C CA . LYS H 8 35 ? 58.116 -60.385 -22.012 1.00 103.25 ? 35 LYS I CA 1 ? ? +18119 ATOM C CB . LYS H 8 35 ? 59.045 -59.779 -20.945 1.00 104.84 ? 35 LYS I CB 1 ? ? +18120 ATOM C CG . LYS H 8 35 ? 58.399 -58.690 -20.097 1.00 105.50 ? 35 LYS I CG 1 ? ? +18121 ATOM C CD . LYS H 8 35 ? 57.382 -59.206 -19.091 1.00 105.76 ? 35 LYS I CD 1 ? ? +18122 ATOM C CE . LYS H 8 35 ? 56.626 -58.076 -18.429 1.00 104.83 ? 35 LYS I CE 1 ? ? +18123 ATOM N NZ . LYS H 8 35 ? 55.648 -58.588 -17.438 1.00 104.95 ? 35 LYS I NZ 1 ? ? +18124 ATOM C C . LYS H 8 35 ? 58.949 -61.002 -23.138 1.00 105.70 ? 35 LYS I C 1 ? ? +18125 ATOM O O . LYS H 8 35 ? 58.948 -60.505 -24.263 1.00 107.58 ? 35 LYS I O 1 ? ? +18126 ATOM N N . ASP H 8 36 ? 59.645 -62.099 -22.821 1.00 106.84 ? 36 ASP I N 1 ? ? +18127 ATOM C CA . ASP H 8 36 ? 60.586 -62.730 -23.733 1.00 110.17 ? 36 ASP I CA 1 ? ? +18128 ATOM C CB . ASP H 8 36 ? 61.252 -63.928 -23.000 1.00 114.56 ? 36 ASP I CB 1 ? ? +18129 ATOM C CG . ASP H 8 36 ? 60.279 -64.946 -22.412 1.00 116.28 ? 36 ASP I CG 1 ? ? +18130 ATOM O OD1 . ASP H 8 36 ? 59.303 -64.524 -21.753 1.00 118.50 ? 36 ASP I OD1 1 ? ? +18131 ATOM O OD2 . ASP H 8 36 ? 60.493 -66.162 -22.618 1.00 116.87 ? 36 ASP I OD2 1 ? ? +18132 ATOM C C . ASP H 8 36 ? 59.970 -63.169 -25.068 1.00 108.14 ? 36 ASP I C 1 ? ? +18133 ATOM O O . ASP H 8 36 ? 59.636 -64.340 -25.250 1.00 106.53 ? 36 ASP I O 1 ? ? +18134 ATOM N N . LEU H 8 37 ? 59.847 -62.217 -26.007 1.00 106.39 ? 37 LEU I N 1 ? ? +18135 ATOM C CA . LEU H 8 37 ? 59.272 -62.476 -27.322 1.00 104.22 ? 37 LEU I CA 1 ? ? +18136 ATOM C CB . LEU H 8 37 ? 57.915 -61.730 -27.452 1.00 100.30 ? 37 LEU I CB 1 ? ? +18137 ATOM C CG . LEU H 8 37 ? 56.712 -62.395 -26.771 1.00 95.36 ? 37 LEU I CG 1 ? ? +18138 ATOM C CD1 . LEU H 8 37 ? 55.488 -61.587 -26.969 1.00 93.46 ? 37 LEU I CD1 1 ? ? +18139 ATOM C CD2 . LEU H 8 37 ? 56.486 -63.822 -27.296 1.00 94.21 ? 37 LEU I CD2 1 ? ? +18140 ATOM C C . LEU H 8 37 ? 60.206 -62.102 -28.477 1.00 106.15 ? 37 LEU I C 1 ? ? +18141 ATOM O O . LEU H 8 37 ? 59.975 -61.126 -29.193 1.00 105.12 ? 37 LEU I O 1 ? ? +18142 ATOM N N . GLU H 8 38 ? 61.229 -62.944 -28.668 1.00 109.18 ? 38 GLU I N 1 ? ? +18143 ATOM C CA . GLU H 8 38 ? 62.339 -62.688 -29.575 1.00 109.93 ? 38 GLU I CA 1 ? ? +18144 ATOM C CB . GLU H 8 38 ? 63.462 -61.967 -28.802 1.00 110.76 ? 38 GLU I CB 1 ? ? +18145 ATOM C CG . GLU H 8 38 ? 64.842 -62.005 -29.433 1.00 111.43 ? 38 GLU I CG 1 ? ? +18146 ATOM C CD . GLU H 8 38 ? 65.842 -61.135 -28.708 1.00 111.78 ? 38 GLU I CD 1 ? ? +18147 ATOM O OE1 . GLU H 8 38 ? 65.405 -60.291 -27.890 1.00 110.56 ? 38 GLU I OE1 1 ? ? +18148 ATOM O OE2 . GLU H 8 38 ? 67.060 -61.313 -28.937 1.00 114.03 ? 38 GLU I OE2 1 ? ? +18149 ATOM C C . GLU H 8 38 ? 62.834 -64.016 -30.180 1.00 111.53 ? 38 GLU I C 1 ? ? +18150 ATOM O O . GLU H 8 38 ? 62.166 -65.034 -30.018 1.00 113.97 ? 38 GLU I O 1 ? ? +18151 ATOM O OXT . GLU H 8 38 ? 63.880 -64.078 -30.835 1.00 111.03 ? 38 GLU I OXT 1 ? ? +18152 ATOM N N . SER I 9 1 ? 10.582 -96.800 -39.716 1.00 108.96 ? 2 SER J N 1 ? ? +18153 ATOM C CA . SER I 9 1 ? 9.795 -97.063 -38.510 1.00 110.29 ? 2 SER J CA 1 ? ? +18154 ATOM C CB . SER I 9 1 ? 9.451 -98.558 -38.403 1.00 110.07 ? 2 SER J CB 1 ? ? +18155 ATOM O OG . SER I 9 1 ? 10.496 -99.411 -38.852 1.00 107.39 ? 2 SER J OG 1 ? ? +18156 ATOM C C . SER I 9 1 ? 10.554 -96.528 -37.293 1.00 111.61 ? 2 SER J C 1 ? ? +18157 ATOM O O . SER I 9 1 ? 10.185 -95.500 -36.724 1.00 107.18 ? 2 SER J O 1 ? ? +18158 ATOM N N . GLU I 9 2 ? 11.655 -97.209 -36.945 1.00 115.97 ? 3 GLU J N 1 ? ? +18159 ATOM C CA . GLU I 9 2 ? 12.601 -96.733 -35.943 1.00 115.37 ? 3 GLU J CA 1 ? ? +18160 ATOM C CB . GLU I 9 2 ? 13.490 -97.881 -35.416 1.00 116.64 ? 3 GLU J CB 1 ? ? +18161 ATOM C CG . GLU I 9 2 ? 14.334 -97.476 -34.215 1.00 116.08 ? 3 GLU J CG 1 ? ? +18162 ATOM C CD . GLU I 9 2 ? 15.520 -98.363 -33.893 1.00 116.46 ? 3 GLU J CD 1 ? ? +18163 ATOM O OE1 . GLU I 9 2 ? 15.587 -99.499 -34.418 1.00 116.64 ? 3 GLU J OE1 1 ? ? +18164 ATOM O OE2 . GLU I 9 2 ? 16.396 -97.911 -33.120 1.00 114.38 ? 3 GLU J OE2 1 ? ? +18165 ATOM C C . GLU I 9 2 ? 13.502 -95.657 -36.544 1.00 110.93 ? 3 GLU J C 1 ? ? +18166 ATOM O O . GLU I 9 2 ? 14.096 -95.877 -37.595 1.00 108.94 ? 3 GLU J O 1 ? ? +18167 ATOM N N . GLY I 9 3 ? 13.612 -94.514 -35.857 1.00 107.76 ? 4 GLY J N 1 ? ? +18168 ATOM C CA . GLY I 9 3 ? 14.446 -93.414 -36.311 1.00 105.68 ? 4 GLY J CA 1 ? ? +18169 ATOM C C . GLY I 9 3 ? 15.940 -93.656 -36.113 1.00 103.87 ? 4 GLY J C 1 ? ? +18170 ATOM O O . GLY I 9 3 ? 16.367 -94.040 -35.029 1.00 105.37 ? 4 GLY J O 1 ? ? +18171 ATOM N N . GLY I 9 4 ? 16.721 -93.384 -37.160 1.00 101.65 ? 5 GLY J N 1 ? ? +18172 ATOM C CA . GLY I 9 4 ? 18.147 -93.673 -37.164 1.00 99.78 ? 5 GLY J CA 1 ? ? +18173 ATOM C C . GLY I 9 4 ? 18.634 -94.396 -38.419 1.00 98.47 ? 5 GLY J C 1 ? ? +18174 ATOM O O . GLY I 9 4 ? 19.828 -94.391 -38.708 1.00 98.50 ? 5 GLY J O 1 ? ? +18175 ATOM N N . ARG I 9 5 ? 17.706 -95.012 -39.163 1.00 97.19 ? 6 ARG J N 1 ? ? +18176 ATOM C CA . ARG I 9 5 ? 18.040 -95.815 -40.329 1.00 96.57 ? 6 ARG J CA 1 ? ? +18177 ATOM C CB . ARG I 9 5 ? 16.760 -96.389 -40.949 1.00 98.89 ? 6 ARG J CB 1 ? ? +18178 ATOM C CG . ARG I 9 5 ? 16.001 -97.355 -40.048 1.00 101.93 ? 6 ARG J CG 1 ? ? +18179 ATOM C CD . ARG I 9 5 ? 16.155 -98.806 -40.473 1.00 105.02 ? 6 ARG J CD 1 ? ? +18180 ATOM N NE . ARG I 9 5 ? 15.107 -99.651 -39.905 1.00 107.79 ? 6 ARG J NE 1 ? ? +18181 ATOM C CZ . ARG I 9 5 ? 14.999 -99.975 -38.620 1.00 109.68 ? 6 ARG J CZ 1 ? ? +18182 ATOM N NH1 . ARG I 9 5 ? 15.992 -99.773 -37.767 1.00 109.63 ? 6 ARG J NH1 1 ? ? +18183 ATOM N NH2 . ARG I 9 5 ? 13.870 -100.529 -38.182 1.00 110.57 ? 6 ARG J NH2 1 ? ? +18184 ATOM C C . ARG I 9 5 ? 18.812 -95.039 -41.397 1.00 93.46 ? 6 ARG J C 1 ? ? +18185 ATOM O O . ARG I 9 5 ? 19.821 -95.531 -41.894 1.00 95.01 ? 6 ARG J O 1 ? ? +18186 ATOM N N . ILE I 9 6 ? 18.328 -93.843 -41.762 1.00 88.90 ? 7 ILE J N 1 ? ? +18187 ATOM C CA . ILE I 9 6 ? 18.936 -93.061 -42.831 1.00 85.25 ? 7 ILE J CA 1 ? ? +18188 ATOM C CB . ILE I 9 6 ? 17.893 -92.416 -43.777 1.00 84.38 ? 7 ILE J CB 1 ? ? +18189 ATOM C CG1 . ILE I 9 6 ? 16.870 -93.430 -44.298 1.00 84.92 ? 7 ILE J CG1 1 ? ? +18190 ATOM C CG2 . ILE I 9 6 ? 18.584 -91.685 -44.936 1.00 83.57 ? 7 ILE J CG2 1 ? ? +18191 ATOM C CD1 . ILE I 9 6 ? 15.660 -92.812 -44.816 1.00 84.36 ? 7 ILE J CD1 1 ? ? +18192 ATOM C C . ILE I 9 6 ? 19.823 -91.986 -42.211 1.00 82.70 ? 7 ILE J C 1 ? ? +18193 ATOM O O . ILE I 9 6 ? 19.323 -91.108 -41.511 1.00 81.60 ? 7 ILE J O 1 ? ? +18194 ATOM N N . PRO I 9 7 ? 21.156 -91.999 -42.462 1.00 80.99 ? 8 PRO J N 1 ? ? +18195 ATOM C CA . PRO I 9 7 ? 22.063 -91.043 -41.828 1.00 79.25 ? 8 PRO J CA 1 ? ? +18196 ATOM C CB . PRO I 9 7 ? 23.420 -91.359 -42.464 1.00 79.51 ? 8 PRO J CB 1 ? ? +18197 ATOM C CG . PRO I 9 7 ? 23.291 -92.748 -42.999 1.00 80.53 ? 8 PRO J CG 1 ? ? +18198 ATOM C CD . PRO I 9 7 ? 21.857 -92.914 -43.382 1.00 81.08 ? 8 PRO J CD 1 ? ? +18199 ATOM C C . PRO I 9 7 ? 21.635 -89.607 -42.098 1.00 77.35 ? 8 PRO J C 1 ? ? +18200 ATOM O O . PRO I 9 7 ? 21.248 -89.278 -43.214 1.00 77.41 ? 8 PRO J O 1 ? ? +18201 ATOM N N . LEU I 9 8 ? 21.722 -88.761 -41.067 1.00 76.00 ? 9 LEU J N 1 ? ? +18202 ATOM C CA . LEU I 9 8 ? 21.297 -87.375 -41.170 1.00 74.40 ? 9 LEU J CA 1 ? ? +18203 ATOM C CB . LEU I 9 8 ? 21.359 -86.735 -39.780 1.00 74.30 ? 9 LEU J CB 1 ? ? +18204 ATOM C CG . LEU I 9 8 ? 20.787 -85.343 -39.643 1.00 73.84 ? 9 LEU J CG 1 ? ? +18205 ATOM C CD1 . LEU I 9 8 ? 19.390 -85.232 -40.288 1.00 73.73 ? 9 LEU J CD1 1 ? ? +18206 ATOM C CD2 . LEU I 9 8 ? 20.731 -84.959 -38.190 1.00 73.91 ? 9 LEU J CD2 1 ? ? +18207 ATOM C C . LEU I 9 8 ? 22.114 -86.567 -42.181 1.00 72.73 ? 9 LEU J C 1 ? ? +18208 ATOM O O . LEU I 9 8 ? 21.589 -85.640 -42.783 1.00 71.88 ? 9 LEU J O 1 ? ? +18209 ATOM N N . TRP I 9 9 ? 23.385 -86.924 -42.394 1.00 72.14 ? 10 TRP J N 1 ? ? +18210 ATOM C CA . TRP I 9 9 ? 24.203 -86.195 -43.350 1.00 71.07 ? 10 TRP J CA 1 ? ? +18211 ATOM C CB . TRP I 9 9 ? 25.711 -86.514 -43.201 1.00 70.94 ? 10 TRP J CB 1 ? ? +18212 ATOM C CG . TRP I 9 9 ? 26.153 -87.859 -43.682 1.00 71.19 ? 10 TRP J CG 1 ? ? +18213 ATOM C CD1 . TRP I 9 9 ? 26.197 -89.014 -42.964 1.00 71.66 ? 10 TRP J CD1 1 ? ? +18214 ATOM N NE1 . TRP I 9 9 ? 26.678 -90.040 -43.749 1.00 72.07 ? 10 TRP J NE1 1 ? ? +18215 ATOM C CE2 . TRP I 9 9 ? 26.942 -89.557 -45.004 1.00 71.61 ? 10 TRP J CE2 1 ? ? +18216 ATOM C CZ2 . TRP I 9 9 ? 27.441 -90.202 -46.132 1.00 71.84 ? 10 TRP J CZ2 1 ? ? +18217 ATOM C CH2 . TRP I 9 9 ? 27.616 -89.449 -47.263 1.00 71.39 ? 10 TRP J CH2 1 ? ? +18218 ATOM C CZ3 . TRP I 9 9 ? 27.313 -88.085 -47.288 1.00 70.56 ? 10 TRP J CZ3 1 ? ? +18219 ATOM C CE3 . TRP I 9 9 ? 26.826 -87.441 -46.167 1.00 70.26 ? 10 TRP J CE3 1 ? ? +18220 ATOM C CD2 . TRP I 9 9 ? 26.632 -88.182 -44.995 1.00 70.95 ? 10 TRP J CD2 1 ? ? +18221 ATOM C C . TRP I 9 9 ? 23.741 -86.413 -44.791 1.00 70.86 ? 10 TRP J C 1 ? ? +18222 ATOM O O . TRP I 9 9 ? 23.886 -85.524 -45.626 1.00 70.47 ? 10 TRP J O 1 ? ? +18223 ATOM N N . ILE I 9 10 ? 23.174 -87.586 -45.083 1.00 71.36 ? 11 ILE J N 1 ? ? +18224 ATOM C CA . ILE I 9 10 ? 22.607 -87.840 -46.401 1.00 71.52 ? 11 ILE J CA 1 ? ? +18225 ATOM C CB . ILE I 9 10 ? 22.434 -89.366 -46.652 1.00 72.58 ? 11 ILE J CB 1 ? ? +18226 ATOM C CG1 . ILE I 9 10 ? 23.819 -90.060 -46.592 1.00 72.90 ? 11 ILE J CG1 1 ? ? +18227 ATOM C CG2 . ILE I 9 10 ? 21.686 -89.657 -47.978 1.00 72.74 ? 11 ILE J CG2 1 ? ? +18228 ATOM C CD1 . ILE I 9 10 ? 23.837 -91.467 -46.968 1.00 73.87 ? 11 ILE J CD1 1 ? ? +18229 ATOM C C . ILE I 9 10 ? 21.306 -87.054 -46.582 1.00 70.86 ? 11 ILE J C 1 ? ? +18230 ATOM O O . ILE I 9 10 ? 21.057 -86.503 -47.650 1.00 70.10 ? 11 ILE J O 1 ? ? +18231 ATOM N N . VAL I 9 11 ? 20.490 -86.991 -45.522 1.00 71.05 ? 12 VAL J N 1 ? ? +18232 ATOM C CA . VAL I 9 11 ? 19.253 -86.224 -45.543 1.00 70.75 ? 12 VAL J CA 1 ? ? +18233 ATOM C CB . VAL I 9 11 ? 18.476 -86.390 -44.213 1.00 70.81 ? 12 VAL J CB 1 ? ? +18234 ATOM C CG1 . VAL I 9 11 ? 17.268 -85.443 -44.121 1.00 70.32 ? 12 VAL J CG1 1 ? ? +18235 ATOM C CG2 . VAL I 9 11 ? 18.057 -87.849 -44.032 1.00 71.59 ? 12 VAL J CG2 1 ? ? +18236 ATOM C C . VAL I 9 11 ? 19.549 -84.757 -45.837 1.00 70.08 ? 12 VAL J C 1 ? ? +18237 ATOM O O . VAL I 9 11 ? 18.921 -84.152 -46.704 1.00 69.96 ? 12 VAL J O 1 ? ? +18238 ATOM N N . ALA I 9 12 ? 20.511 -84.200 -45.097 1.00 69.81 ? 13 ALA J N 1 ? ? +18239 ATOM C CA . ALA I 9 12 ? 20.909 -82.812 -45.260 1.00 68.78 ? 13 ALA J CA 1 ? ? +18240 ATOM C CB . ALA I 9 12 ? 21.948 -82.439 -44.217 1.00 68.53 ? 13 ALA J CB 1 ? ? +18241 ATOM C C . ALA I 9 12 ? 21.439 -82.543 -46.667 1.00 68.61 ? 13 ALA J C 1 ? ? +18242 ATOM O O . ALA I 9 12 ? 21.153 -81.494 -47.234 1.00 68.29 ? 13 ALA J O 1 ? ? +18243 ATOM N N . THR I 9 13 ? 22.206 -83.491 -47.225 1.00 68.92 ? 14 THR J N 1 ? ? +18244 ATOM C CA . THR I 9 13 ? 22.771 -83.334 -48.559 1.00 68.76 ? 14 THR J CA 1 ? ? +18245 ATOM C CB . THR I 9 13 ? 23.870 -84.394 -48.816 1.00 69.48 ? 14 THR J CB 1 ? ? +18246 ATOM O OG1 . THR I 9 13 ? 24.877 -84.299 -47.806 1.00 69.63 ? 14 THR J OG1 1 ? ? +18247 ATOM C CG2 . THR I 9 13 ? 24.530 -84.234 -50.167 1.00 69.47 ? 14 THR J CG2 1 ? ? +18248 ATOM C C . THR I 9 13 ? 21.696 -83.369 -49.648 1.00 68.57 ? 14 THR J C 1 ? ? +18249 ATOM O O . THR I 9 13 ? 21.728 -82.569 -50.575 1.00 68.07 ? 14 THR J O 1 ? ? +18250 ATOM N N . VAL I 9 14 ? 20.746 -84.301 -49.535 1.00 69.19 ? 15 VAL J N 1 ? ? +18251 ATOM C CA . VAL I 9 14 ? 19.634 -84.388 -50.474 1.00 69.57 ? 15 VAL J CA 1 ? ? +18252 ATOM C CB . VAL I 9 14 ? 18.866 -85.719 -50.292 1.00 70.62 ? 15 VAL J CB 1 ? ? +18253 ATOM C CG1 . VAL I 9 14 ? 17.429 -85.636 -50.820 1.00 70.45 ? 15 VAL J CG1 1 ? ? +18254 ATOM C CG2 . VAL I 9 14 ? 19.639 -86.869 -50.948 1.00 71.28 ? 15 VAL J CG2 1 ? ? +18255 ATOM C C . VAL I 9 14 ? 18.689 -83.190 -50.376 1.00 68.78 ? 15 VAL J C 1 ? ? +18256 ATOM O O . VAL I 9 14 ? 18.261 -82.655 -51.392 1.00 68.24 ? 15 VAL J O 1 ? ? +18257 ATOM N N . ALA I 9 15 ? 18.358 -82.782 -49.150 1.00 68.79 ? 16 ALA J N 1 ? ? +18258 ATOM C CA . ALA I 9 15 ? 17.559 -81.585 -48.934 1.00 68.65 ? 16 ALA J CA 1 ? ? +18259 ATOM C CB . ALA I 9 15 ? 17.291 -81.390 -47.451 1.00 68.61 ? 16 ALA J CB 1 ? ? +18260 ATOM C C . ALA I 9 15 ? 18.229 -80.337 -49.507 1.00 68.38 ? 16 ALA J C 1 ? ? +18261 ATOM O O . ALA I 9 15 ? 17.575 -79.526 -50.158 1.00 68.32 ? 16 ALA J O 1 ? ? +18262 ATOM N N . GLY I 9 16 ? 19.536 -80.199 -49.252 1.00 68.52 ? 17 GLY J N 1 ? ? +18263 ATOM C CA . GLY I 9 16 ? 20.318 -79.089 -49.767 1.00 68.09 ? 17 GLY J CA 1 ? ? +18264 ATOM C C . GLY I 9 16 ? 20.301 -78.999 -51.289 1.00 68.59 ? 17 GLY J C 1 ? ? +18265 ATOM O O . GLY I 9 16 ? 20.057 -77.931 -51.842 1.00 68.14 ? 17 GLY J O 1 ? ? +18266 ATOM N N . MET I 9 17 ? 20.554 -80.129 -51.955 1.00 70.14 ? 18 MET J N 1 ? ? +18267 ATOM C CA . MET I 9 17 ? 20.561 -80.178 -53.409 1.00 71.64 ? 18 MET J CA 1 ? ? +18268 ATOM C CB . MET I 9 17 ? 20.991 -81.576 -53.906 1.00 74.31 ? 18 MET J CB 1 ? ? +18269 ATOM C CG . MET I 9 17 ? 22.486 -81.674 -54.194 1.00 76.69 ? 18 MET J CG 1 ? ? +18270 ATOM S SD . MET I 9 17 ? 23.172 -83.369 -54.026 1.00 82.36 ? 18 MET J SD 1 ? ? +18271 ATOM C CE . MET I 9 17 ? 23.195 -83.905 -55.712 1.00 83.32 ? 18 MET J CE 1 ? ? +18272 ATOM C C . MET I 9 17 ? 19.186 -79.798 -53.952 1.00 70.66 ? 18 MET J C 1 ? ? +18273 ATOM O O . MET I 9 17 ? 19.088 -79.070 -54.938 1.00 70.19 ? 18 MET J O 1 ? ? +18274 ATOM N N . GLY I 9 18 ? 18.135 -80.296 -53.291 1.00 70.44 ? 19 GLY J N 1 ? ? +18275 ATOM C CA . GLY I 9 18 ? 16.769 -79.928 -53.616 1.00 70.10 ? 19 GLY J CA 1 ? ? +18276 ATOM C C . GLY I 9 18 ? 16.562 -78.419 -53.652 1.00 68.90 ? 19 GLY J C 1 ? ? +18277 ATOM O O . GLY I 9 18 ? 16.036 -77.896 -54.629 1.00 69.07 ? 19 GLY J O 1 ? ? +18278 ATOM N N . VAL I 9 19 ? 16.989 -77.737 -52.584 1.00 68.16 ? 20 VAL J N 1 ? ? +18279 ATOM C CA . VAL I 9 19 ? 16.928 -76.285 -52.509 1.00 67.67 ? 20 VAL J CA 1 ? ? +18280 ATOM C CB . VAL I 9 19 ? 17.459 -75.804 -51.128 1.00 67.41 ? 20 VAL J CB 1 ? ? +18281 ATOM C CG1 . VAL I 9 19 ? 17.844 -74.329 -51.144 1.00 66.77 ? 20 VAL J CG1 1 ? ? +18282 ATOM C CG2 . VAL I 9 19 ? 16.455 -76.084 -50.021 1.00 67.44 ? 20 VAL J CG2 1 ? ? +18283 ATOM C C . VAL I 9 19 ? 17.673 -75.595 -53.655 1.00 67.49 ? 20 VAL J C 1 ? ? +18284 ATOM O O . VAL I 9 19 ? 17.183 -74.612 -54.212 1.00 67.74 ? 20 VAL J O 1 ? ? +18285 ATOM N N . ILE I 9 20 ? 18.864 -76.100 -54.001 1.00 67.17 ? 21 ILE J N 1 ? ? +18286 ATOM C CA . ILE I 9 20 ? 19.665 -75.492 -55.052 1.00 66.45 ? 21 ILE J CA 1 ? ? +18287 ATOM C CB . ILE I 9 20 ? 21.087 -76.089 -55.116 1.00 67.32 ? 21 ILE J CB 1 ? ? +18288 ATOM C CG1 . ILE I 9 20 ? 21.744 -76.103 -53.718 1.00 68.22 ? 21 ILE J CG1 1 ? ? +18289 ATOM C CG2 . ILE I 9 20 ? 21.923 -75.338 -56.158 1.00 66.92 ? 21 ILE J CG2 1 ? ? +18290 ATOM C CD1 . ILE I 9 20 ? 23.242 -76.069 -53.651 1.00 68.90 ? 21 ILE J CD1 1 ? ? +18291 ATOM C C . ILE I 9 20 ? 18.968 -75.593 -56.408 1.00 65.56 ? 21 ILE J C 1 ? ? +18292 ATOM O O . ILE I 9 20 ? 18.981 -74.648 -57.193 1.00 64.33 ? 21 ILE J O 1 ? ? +18293 ATOM N N . VAL I 9 21 ? 18.349 -76.742 -56.679 1.00 65.83 ? 22 VAL J N 1 ? ? +18294 ATOM C CA . VAL I 9 21 ? 17.639 -76.933 -57.933 1.00 66.26 ? 22 VAL J CA 1 ? ? +18295 ATOM C CB . VAL I 9 21 ? 17.160 -78.395 -58.099 1.00 66.98 ? 22 VAL J CB 1 ? ? +18296 ATOM C CG1 . VAL I 9 21 ? 16.240 -78.553 -59.314 1.00 67.16 ? 22 VAL J CG1 1 ? ? +18297 ATOM C CG2 . VAL I 9 21 ? 18.351 -79.351 -58.185 1.00 67.40 ? 22 VAL J CG2 1 ? ? +18298 ATOM C C . VAL I 9 21 ? 16.475 -75.952 -58.077 1.00 65.90 ? 22 VAL J C 1 ? ? +18299 ATOM O O . VAL I 9 21 ? 16.293 -75.368 -59.139 1.00 65.92 ? 22 VAL J O 1 ? ? +18300 ATOM N N . ILE I 9 22 ? 15.698 -75.751 -57.008 1.00 65.76 ? 23 ILE J N 1 ? ? +18301 ATOM C CA . ILE I 9 22 ? 14.511 -74.921 -57.110 1.00 65.96 ? 23 ILE J CA 1 ? ? +18302 ATOM C CB . ILE I 9 22 ? 13.511 -75.247 -55.953 1.00 66.67 ? 23 ILE J CB 1 ? ? +18303 ATOM C CG1 . ILE I 9 22 ? 12.158 -75.611 -56.535 1.00 67.81 ? 23 ILE J CG1 1 ? ? +18304 ATOM C CG2 . ILE I 9 22 ? 13.373 -74.160 -54.921 1.00 66.19 ? 23 ILE J CG2 1 ? ? +18305 ATOM C CD1 . ILE I 9 22 ? 12.187 -76.927 -57.285 1.00 69.20 ? 23 ILE J CD1 1 ? ? +18306 ATOM C C . ILE I 9 22 ? 14.904 -73.449 -57.223 1.00 64.99 ? 23 ILE J C 1 ? ? +18307 ATOM O O . ILE I 9 22 ? 14.337 -72.715 -58.022 1.00 64.58 ? 23 ILE J O 1 ? ? +18308 ATOM N N . VAL I 9 23 ? 15.897 -73.024 -56.436 1.00 64.98 ? 24 VAL J N 1 ? ? +18309 ATOM C CA . VAL I 9 23 ? 16.425 -71.669 -56.522 1.00 64.03 ? 24 VAL J CA 1 ? ? +18310 ATOM C CB . VAL I 9 23 ? 17.444 -71.391 -55.392 1.00 64.53 ? 24 VAL J CB 1 ? ? +18311 ATOM C CG1 . VAL I 9 23 ? 18.236 -70.098 -55.640 1.00 64.09 ? 24 VAL J CG1 1 ? ? +18312 ATOM C CG2 . VAL I 9 23 ? 16.739 -71.349 -54.039 1.00 64.58 ? 24 VAL J CG2 1 ? ? +18313 ATOM C C . VAL I 9 23 ? 17.038 -71.397 -57.893 1.00 62.87 ? 24 VAL J C 1 ? ? +18314 ATOM O O . VAL I 9 23 ? 16.783 -70.351 -58.479 1.00 62.89 ? 24 VAL J O 1 ? ? +18315 ATOM N N . GLY I 9 24 ? 17.849 -72.340 -58.384 1.00 62.20 ? 25 GLY J N 1 ? ? +18316 ATOM C CA . GLY I 9 24 ? 18.403 -72.259 -59.724 1.00 61.65 ? 25 GLY J CA 1 ? ? +18317 ATOM C C . GLY I 9 24 ? 17.338 -72.019 -60.791 1.00 61.11 ? 25 GLY J C 1 ? ? +18318 ATOM O O . GLY I 9 24 ? 17.547 -71.235 -61.716 1.00 60.61 ? 25 GLY J O 1 ? ? +18319 ATOM N N . LEU I 9 25 ? 16.194 -72.701 -60.641 1.00 60.81 ? 26 LEU J N 1 ? ? +18320 ATOM C CA . LEU I 9 25 ? 15.088 -72.590 -61.579 1.00 60.69 ? 26 LEU J CA 1 ? ? +18321 ATOM C CB . LEU I 9 25 ? 14.026 -73.662 -61.227 1.00 61.34 ? 26 LEU J CB 1 ? ? +18322 ATOM C CG . LEU I 9 25 ? 12.818 -73.778 -62.173 1.00 61.72 ? 26 LEU J CG 1 ? ? +18323 ATOM C CD1 . LEU I 9 25 ? 13.189 -74.413 -63.519 1.00 62.17 ? 26 LEU J CD1 1 ? ? +18324 ATOM C CD2 . LEU I 9 25 ? 11.714 -74.568 -61.529 1.00 62.25 ? 26 LEU J CD2 1 ? ? +18325 ATOM C C . LEU I 9 25 ? 14.479 -71.184 -61.579 1.00 59.64 ? 26 LEU J C 1 ? ? +18326 ATOM O O . LEU I 9 25 ? 14.069 -70.676 -62.622 1.00 59.23 ? 26 LEU J O 1 ? ? +18327 ATOM N N . PHE I 9 26 ? 14.426 -70.556 -60.400 1.00 59.02 ? 27 PHE J N 1 ? ? +18328 ATOM C CA . PHE I 9 26 ? 13.884 -69.215 -60.266 1.00 58.41 ? 27 PHE J CA 1 ? ? +18329 ATOM C CB . PHE I 9 26 ? 13.665 -68.901 -58.786 1.00 57.99 ? 27 PHE J CB 1 ? ? +18330 ATOM C CG . PHE I 9 26 ? 12.624 -69.717 -58.054 1.00 58.30 ? 27 PHE J CG 1 ? ? +18331 ATOM C CD1 . PHE I 9 26 ? 11.739 -70.539 -58.745 1.00 58.71 ? 27 PHE J CD1 1 ? ? +18332 ATOM C CD2 . PHE I 9 26 ? 12.521 -69.658 -56.673 1.00 58.16 ? 27 PHE J CD2 1 ? ? +18333 ATOM C CE1 . PHE I 9 26 ? 10.793 -71.291 -58.069 1.00 58.94 ? 27 PHE J CE1 1 ? ? +18334 ATOM C CE2 . PHE I 9 26 ? 11.560 -70.408 -56.000 1.00 58.44 ? 27 PHE J CE2 1 ? ? +18335 ATOM C CZ . PHE I 9 26 ? 10.703 -71.219 -56.705 1.00 58.83 ? 27 PHE J CZ 1 ? ? +18336 ATOM C C . PHE I 9 26 ? 14.782 -68.148 -60.895 1.00 58.29 ? 27 PHE J C 1 ? ? +18337 ATOM O O . PHE I 9 26 ? 14.291 -67.179 -61.472 1.00 58.08 ? 27 PHE J O 1 ? ? +18338 ATOM N N . PHE I 9 27 ? 16.104 -68.320 -60.761 1.00 58.52 ? 28 PHE J N 1 ? ? +18339 ATOM C CA . PHE I 9 27 ? 17.067 -67.481 -61.460 1.00 58.24 ? 28 PHE J CA 1 ? ? +18340 ATOM C CB . PHE I 9 27 ? 18.486 -67.695 -60.911 1.00 58.41 ? 28 PHE J CB 1 ? ? +18341 ATOM C CG . PHE I 9 27 ? 18.690 -66.908 -59.640 1.00 58.15 ? 28 PHE J CG 1 ? ? +18342 ATOM C CD1 . PHE I 9 27 ? 18.808 -65.534 -59.675 1.00 57.73 ? 28 PHE J CD1 1 ? ? +18343 ATOM C CD2 . PHE I 9 27 ? 18.719 -67.540 -58.406 1.00 58.31 ? 28 PHE J CD2 1 ? ? +18344 ATOM C CE1 . PHE I 9 27 ? 18.989 -64.805 -58.503 1.00 57.40 ? 28 PHE J CE1 1 ? ? +18345 ATOM C CE2 . PHE I 9 27 ? 18.864 -66.811 -57.238 1.00 57.89 ? 28 PHE J CE2 1 ? ? +18346 ATOM C CZ . PHE I 9 27 ? 19.000 -65.447 -57.291 1.00 57.48 ? 28 PHE J CZ 1 ? ? +18347 ATOM C C . PHE I 9 27 ? 17.016 -67.702 -62.968 1.00 58.44 ? 28 PHE J C 1 ? ? +18348 ATOM O O . PHE I 9 27 ? 17.069 -66.741 -63.726 1.00 58.33 ? 28 PHE J O 1 ? ? +18349 ATOM N N . TYR I 9 28 ? 16.891 -68.958 -63.403 1.00 59.06 ? 29 TYR J N 1 ? ? +18350 ATOM C CA . TYR I 9 28 ? 16.628 -69.240 -64.806 1.00 59.67 ? 29 TYR J CA 1 ? ? +18351 ATOM C CB . TYR I 9 28 ? 16.370 -70.753 -65.050 1.00 60.78 ? 29 TYR J CB 1 ? ? +18352 ATOM C CG . TYR I 9 28 ? 15.750 -71.030 -66.400 1.00 61.64 ? 29 TYR J CG 1 ? ? +18353 ATOM C CD1 . TYR I 9 28 ? 16.509 -70.963 -67.560 1.00 61.90 ? 29 TYR J CD1 1 ? ? +18354 ATOM C CD2 . TYR I 9 28 ? 14.380 -71.286 -66.525 1.00 62.26 ? 29 TYR J CD2 1 ? ? +18355 ATOM C CE1 . TYR I 9 28 ? 15.935 -71.174 -68.808 1.00 62.59 ? 29 TYR J CE1 1 ? ? +18356 ATOM C CE2 . TYR I 9 28 ? 13.790 -71.487 -67.768 1.00 62.58 ? 29 TYR J CE2 1 ? ? +18357 ATOM C CZ . TYR I 9 28 ? 14.573 -71.429 -68.907 1.00 62.99 ? 29 TYR J CZ 1 ? ? +18358 ATOM O OH . TYR I 9 28 ? 14.021 -71.632 -70.143 1.00 63.81 ? 29 TYR J OH 1 ? ? +18359 ATOM C C . TYR I 9 28 ? 15.450 -68.405 -65.317 1.00 59.21 ? 29 TYR J C 1 ? ? +18360 ATOM O O . TYR I 9 28 ? 15.541 -67.801 -66.383 1.00 59.22 ? 29 TYR J O 1 ? ? +18361 ATOM N N . GLY I 9 29 ? 14.353 -68.358 -64.541 1.00 58.73 ? 30 GLY J N 1 ? ? +18362 ATOM C CA . GLY I 9 29 ? 13.128 -67.692 -64.967 1.00 58.17 ? 30 GLY J CA 1 ? ? +18363 ATOM C C . GLY I 9 29 ? 13.203 -66.169 -65.065 1.00 57.16 ? 30 GLY J C 1 ? ? +18364 ATOM O O . GLY I 9 29 ? 12.323 -65.535 -65.654 1.00 56.84 ? 30 GLY J O 1 ? ? +18365 ATOM N N . ALA I 9 30 ? 14.254 -65.598 -64.459 1.00 56.40 ? 31 ALA J N 1 ? ? +18366 ATOM C CA . ALA I 9 30 ? 14.549 -64.180 -64.571 1.00 55.60 ? 31 ALA J CA 1 ? ? +18367 ATOM C CB . ALA I 9 30 ? 15.539 -63.782 -63.505 1.00 55.20 ? 31 ALA J CB 1 ? ? +18368 ATOM C C . ALA I 9 30 ? 15.077 -63.801 -65.953 1.00 55.54 ? 31 ALA J C 1 ? ? +18369 ATOM O O . ALA I 9 30 ? 15.083 -62.628 -66.315 1.00 55.08 ? 31 ALA J O 1 ? ? +18370 ATOM N N . TYR I 9 31 ? 15.521 -64.805 -66.713 1.00 55.95 ? 32 TYR J N 1 ? ? +18371 ATOM C CA . TYR I 9 31 ? 16.071 -64.601 -68.043 1.00 56.10 ? 32 TYR J CA 1 ? ? +18372 ATOM C CB . TYR I 9 31 ? 17.455 -65.236 -68.096 1.00 56.38 ? 32 TYR J CB 1 ? ? +18373 ATOM C CG . TYR I 9 31 ? 18.462 -64.590 -67.173 1.00 56.10 ? 32 TYR J CG 1 ? ? +18374 ATOM C CD1 . TYR I 9 31 ? 19.095 -63.407 -67.522 1.00 55.87 ? 32 TYR J CD1 1 ? ? +18375 ATOM C CD2 . TYR I 9 31 ? 18.779 -65.161 -65.948 1.00 56.18 ? 32 TYR J CD2 1 ? ? +18376 ATOM C CE1 . TYR I 9 31 ? 20.044 -62.820 -66.690 1.00 55.66 ? 32 TYR J CE1 1 ? ? +18377 ATOM C CE2 . TYR I 9 31 ? 19.731 -64.582 -65.102 1.00 55.91 ? 32 TYR J CE2 1 ? ? +18378 ATOM C CZ . TYR I 9 31 ? 20.362 -63.408 -65.478 1.00 55.62 ? 32 TYR J CZ 1 ? ? +18379 ATOM O OH . TYR I 9 31 ? 21.291 -62.798 -64.663 1.00 55.26 ? 32 TYR J OH 1 ? ? +18380 ATOM C C . TYR I 9 31 ? 15.203 -65.196 -69.148 1.00 56.45 ? 32 TYR J C 1 ? ? +18381 ATOM O O . TYR I 9 31 ? 15.586 -65.181 -70.312 1.00 56.68 ? 32 TYR J O 1 ? ? +18382 ATOM N N . ALA I 9 32 ? 14.034 -65.727 -68.779 1.00 56.51 ? 33 ALA J N 1 ? ? +18383 ATOM C CA . ALA I 9 32 ? 13.134 -66.332 -69.743 1.00 56.88 ? 33 ALA J CA 1 ? ? +18384 ATOM C CB . ALA I 9 32 ? 13.424 -67.812 -69.875 1.00 57.40 ? 33 ALA J CB 1 ? ? +18385 ATOM C C . ALA I 9 32 ? 11.672 -66.107 -69.371 1.00 56.77 ? 33 ALA J C 1 ? ? +18386 ATOM O O . ALA I 9 32 ? 11.299 -66.009 -68.191 1.00 56.67 ? 33 ALA J O 1 ? ? +18387 ATOM N N . GLY I 9 33 ? 10.859 -66.025 -70.426 1.00 57.00 ? 34 GLY J N 1 ? ? +18388 ATOM C CA . GLY I 9 33 ? 9.423 -65.857 -70.300 1.00 56.96 ? 34 GLY J CA 1 ? ? +18389 ATOM C C . GLY I 9 33 ? 9.077 -64.533 -69.638 1.00 56.16 ? 34 GLY J C 1 ? ? +18390 ATOM O O . GLY I 9 33 ? 9.791 -63.548 -69.797 1.00 55.82 ? 34 GLY J O 1 ? ? +18391 ATOM N N . LEU I 9 34 ? 7.992 -64.539 -68.870 1.00 55.91 ? 35 LEU J N 1 ? ? +18392 ATOM C CA . LEU I 9 34 ? 7.579 -63.352 -68.153 1.00 55.23 ? 35 LEU J CA 1 ? ? +18393 ATOM C CB . LEU I 9 34 ? 6.378 -63.643 -67.258 1.00 55.28 ? 35 LEU J CB 1 ? ? +18394 ATOM C CG . LEU I 9 34 ? 5.166 -64.203 -67.922 1.00 55.86 ? 35 LEU J CG 1 ? ? +18395 ATOM C CD1 . LEU I 9 34 ? 4.020 -64.182 -66.972 1.00 55.88 ? 35 LEU J CD1 1 ? ? +18396 ATOM C CD2 . LEU I 9 34 ? 4.853 -63.446 -69.204 1.00 56.00 ? 35 LEU J CD2 1 ? ? +18397 ATOM C C . LEU I 9 34 ? 8.727 -62.843 -67.287 1.00 54.58 ? 35 LEU J C 1 ? ? +18398 ATOM O O . LEU I 9 34 ? 9.475 -63.634 -66.705 1.00 55.07 ? 35 LEU J O 1 ? ? +18399 ATOM N N . GLY I 9 35 ? 8.824 -61.512 -67.215 1.00 53.79 ? 36 GLY J N 1 ? ? +18400 ATOM C CA . GLY I 9 35 ? 9.728 -60.835 -66.311 1.00 53.08 ? 36 GLY J CA 1 ? ? +18401 ATOM C C . GLY I 9 35 ? 11.164 -60.741 -66.825 1.00 52.88 ? 36 GLY J C 1 ? ? +18402 ATOM O O . GLY I 9 35 ? 12.039 -60.275 -66.104 1.00 52.38 ? 36 GLY J O 1 ? ? +18403 ATOM N N . SER I 9 36 ? 11.398 -61.173 -68.070 1.00 53.18 ? 37 SER J N 1 ? ? +18404 ATOM C CA . SER I 9 36 ? 12.732 -61.214 -68.637 1.00 53.14 ? 37 SER J CA 1 ? ? +18405 ATOM C CB . SER I 9 36 ? 12.901 -62.454 -69.506 1.00 53.76 ? 37 SER J CB 1 ? ? +18406 ATOM O OG . SER I 9 36 ? 12.418 -62.224 -70.815 1.00 54.13 ? 37 SER J OG 1 ? ? +18407 ATOM C C . SER I 9 36 ? 13.085 -59.973 -69.452 1.00 52.89 ? 37 SER J C 1 ? ? +18408 ATOM O O . SER I 9 36 ? 14.239 -59.818 -69.856 1.00 52.95 ? 37 SER J O 1 ? ? +18409 ATOM N N . SER I 9 37 ? 12.088 -59.104 -69.690 1.00 52.61 ? 38 SER J N 1 ? ? +18410 ATOM C CA . SER I 9 37 ? 12.254 -57.884 -70.469 1.00 52.36 ? 38 SER J CA 1 ? ? +18411 ATOM C CB . SER I 9 37 ? 13.582 -57.162 -70.157 1.00 51.96 ? 38 SER J CB 1 ? ? +18412 ATOM O OG . SER I 9 37 ? 14.651 -57.548 -71.015 1.00 52.15 ? 38 SER J OG 1 ? ? +18413 ATOM C C . SER I 9 37 ? 12.175 -58.126 -71.974 1.00 52.78 ? 38 SER J C 1 ? ? +18414 ATOM O O . SER I 9 37 ? 12.058 -57.174 -72.731 1.00 52.77 ? 38 SER J O 1 ? ? +18415 ATOM N N . LEU I 9 38 ? 12.258 -59.391 -72.399 1.00 53.26 ? 39 LEU J N 1 ? ? +18416 ATOM C CA . LEU I 9 38 ? 12.287 -59.739 -73.810 1.00 53.84 ? 39 LEU J CA 1 ? ? +18417 ATOM C CB . LEU I 9 38 ? 13.208 -60.947 -74.025 1.00 54.23 ? 39 LEU J CB 1 ? ? +18418 ATOM C CG . LEU I 9 38 ? 14.697 -60.760 -73.629 1.00 54.01 ? 39 LEU J CG 1 ? ? +18419 ATOM C CD1 . LEU I 9 38 ? 15.478 -61.967 -73.961 1.00 54.46 ? 39 LEU J CD1 1 ? ? +18420 ATOM C CD2 . LEU I 9 38 ? 15.342 -59.559 -74.322 1.00 53.86 ? 39 LEU J CD2 1 ? ? +18421 ATOM C C . LEU I 9 38 ? 10.884 -60.073 -74.325 1.00 54.28 ? 39 LEU J C 1 ? ? +18422 ATOM O O . LEU I 9 38 ? 10.008 -60.512 -73.563 1.00 54.27 ? 39 LEU J O 1 ? ? +18423 ATOM O OXT . LEU I 9 38 ? 10.627 -59.898 -75.507 1.00 54.61 ? 39 LEU J OXT 1 ? ? +18424 ATOM N N . LYS J 10 1 ? 34.247 -69.398 -80.211 1.00 72.80 ? 10 LYS K N 1 ? ? +18425 ATOM C CA . LYS J 10 1 ? 33.896 -70.799 -80.323 1.00 73.39 ? 10 LYS K CA 1 ? ? +18426 ATOM C CB . LYS J 10 1 ? 33.379 -71.130 -81.728 1.00 74.80 ? 10 LYS K CB 1 ? ? +18427 ATOM C CG . LYS J 10 1 ? 32.271 -70.260 -82.251 1.00 75.64 ? 10 LYS K CG 1 ? ? +18428 ATOM C CD . LYS J 10 1 ? 31.040 -70.218 -81.342 1.00 75.97 ? 10 LYS K CD 1 ? ? +18429 ATOM C CE . LYS J 10 1 ? 31.057 -69.065 -80.354 1.00 75.87 ? 10 LYS K CE 1 ? ? +18430 ATOM N NZ . LYS J 10 1 ? 29.692 -68.723 -79.861 1.00 75.91 ? 10 LYS K NZ 1 ? ? +18431 ATOM C C . LYS J 10 1 ? 35.125 -71.668 -80.066 1.00 73.48 ? 10 LYS K C 1 ? ? +18432 ATOM O O . LYS J 10 1 ? 36.253 -71.244 -80.325 1.00 73.75 ? 10 LYS K O 1 ? ? +18433 ATOM N N . LEU J 10 2 ? 34.892 -72.893 -79.584 1.00 72.94 ? 11 LEU K N 1 ? ? +18434 ATOM C CA . LEU J 10 2 ? 35.932 -73.904 -79.566 1.00 73.51 ? 11 LEU K CA 1 ? ? +18435 ATOM C CB . LEU J 10 2 ? 35.547 -75.091 -78.678 1.00 73.47 ? 11 LEU K CB 1 ? ? +18436 ATOM C CG . LEU J 10 2 ? 35.761 -74.860 -77.178 1.00 72.70 ? 11 LEU K CG 1 ? ? +18437 ATOM C CD1 . LEU J 10 2 ? 34.959 -73.753 -76.705 1.00 71.81 ? 11 LEU K CD1 1 ? ? +18438 ATOM C CD2 . LEU J 10 2 ? 35.422 -76.083 -76.356 1.00 72.79 ? 11 LEU K CD2 1 ? ? +18439 ATOM C C . LEU J 10 2 ? 36.153 -74.363 -81.001 1.00 74.39 ? 11 LEU K C 1 ? ? +18440 ATOM O O . LEU J 10 2 ? 35.248 -74.266 -81.820 1.00 74.26 ? 11 LEU K O 1 ? ? +18441 ATOM N N . PRO J 10 3 ? 37.349 -74.877 -81.363 1.00 75.75 ? 12 PRO K N 1 ? ? +18442 ATOM C CA . PRO J 10 3 ? 37.517 -75.518 -82.665 1.00 76.82 ? 12 PRO K CA 1 ? ? +18443 ATOM C CB . PRO J 10 3 ? 38.933 -76.102 -82.602 1.00 77.44 ? 12 PRO K CB 1 ? ? +18444 ATOM C CG . PRO J 10 3 ? 39.647 -75.283 -81.539 1.00 76.83 ? 12 PRO K CG 1 ? ? +18445 ATOM C CD . PRO J 10 3 ? 38.581 -74.863 -80.556 1.00 76.01 ? 12 PRO K CD 1 ? ? +18446 ATOM C C . PRO J 10 3 ? 36.423 -76.568 -82.849 1.00 77.71 ? 12 PRO K C 1 ? ? +18447 ATOM O O . PRO J 10 3 ? 35.937 -77.138 -81.874 1.00 76.58 ? 12 PRO K O 1 ? ? +18448 ATOM N N . GLU J 10 4 ? 36.038 -76.794 -84.111 1.00 79.82 ? 13 GLU K N 1 ? ? +18449 ATOM C CA . GLU J 10 4 ? 34.906 -77.641 -84.457 1.00 81.37 ? 13 GLU K CA 1 ? ? +18450 ATOM C CB . GLU J 10 4 ? 34.747 -77.623 -86.001 1.00 84.17 ? 13 GLU K CB 1 ? ? +18451 ATOM C CG . GLU J 10 4 ? 33.645 -78.501 -86.582 1.00 86.90 ? 13 GLU K CG 1 ? ? +18452 ATOM C CD . GLU J 10 4 ? 32.222 -78.177 -86.153 1.00 88.56 ? 13 GLU K CD 1 ? ? +18453 ATOM O OE1 . GLU J 10 4 ? 31.984 -77.071 -85.612 1.00 89.23 ? 13 GLU K OE1 1 ? ? +18454 ATOM O OE2 . GLU J 10 4 ? 31.348 -79.058 -86.332 1.00 90.15 ? 13 GLU K OE2 1 ? ? +18455 ATOM C C . GLU J 10 4 ? 35.043 -79.063 -83.903 1.00 80.91 ? 13 GLU K C 1 ? ? +18456 ATOM O O . GLU J 10 4 ? 34.048 -79.659 -83.487 1.00 80.45 ? 13 GLU K O 1 ? ? +18457 ATOM N N . ALA J 10 5 ? 36.275 -79.591 -83.874 1.00 80.29 ? 14 ALA K N 1 ? ? +18458 ATOM C CA . ALA J 10 5 ? 36.533 -80.935 -83.374 1.00 80.10 ? 14 ALA K CA 1 ? ? +18459 ATOM C CB . ALA J 10 5 ? 38.002 -81.269 -83.557 1.00 80.61 ? 14 ALA K CB 1 ? ? +18460 ATOM C C . ALA J 10 5 ? 36.132 -81.169 -81.914 1.00 79.23 ? 14 ALA K C 1 ? ? +18461 ATOM O O . ALA J 10 5 ? 35.770 -82.288 -81.551 1.00 79.89 ? 14 ALA K O 1 ? ? +18462 ATOM N N . TYR J 10 6 ? 36.208 -80.116 -81.086 1.00 77.86 ? 15 TYR K N 1 ? ? +18463 ATOM C CA . TYR J 10 6 ? 35.867 -80.190 -79.670 1.00 76.90 ? 15 TYR K CA 1 ? ? +18464 ATOM C CB . TYR J 10 6 ? 36.793 -79.269 -78.872 1.00 75.72 ? 15 TYR K CB 1 ? ? +18465 ATOM C CG . TYR J 10 6 ? 38.258 -79.607 -78.968 1.00 75.72 ? 15 TYR K CG 1 ? ? +18466 ATOM C CD1 . TYR J 10 6 ? 38.848 -80.481 -78.070 1.00 75.82 ? 15 TYR K CD1 1 ? ? +18467 ATOM C CD2 . TYR J 10 6 ? 39.059 -79.046 -79.952 1.00 75.67 ? 15 TYR K CD2 1 ? ? +18468 ATOM C CE1 . TYR J 10 6 ? 40.205 -80.773 -78.136 1.00 75.99 ? 15 TYR K CE1 1 ? ? +18469 ATOM C CE2 . TYR J 10 6 ? 40.409 -79.343 -80.038 1.00 76.00 ? 15 TYR K CE2 1 ? ? +18470 ATOM C CZ . TYR J 10 6 ? 40.979 -80.204 -79.126 1.00 76.18 ? 15 TYR K CZ 1 ? ? +18471 ATOM O OH . TYR J 10 6 ? 42.315 -80.494 -79.221 1.00 77.21 ? 15 TYR K OH 1 ? ? +18472 ATOM C C . TYR J 10 6 ? 34.427 -79.779 -79.352 1.00 76.80 ? 15 TYR K C 1 ? ? +18473 ATOM O O . TYR J 10 6 ? 34.018 -79.800 -78.193 1.00 75.80 ? 15 TYR K O 1 ? ? +18474 ATOM N N . ALA J 10 7 ? 33.659 -79.416 -80.386 1.00 77.48 ? 16 ALA K N 1 ? ? +18475 ATOM C CA . ALA J 10 7 ? 32.351 -78.805 -80.208 1.00 77.68 ? 16 ALA K CA 1 ? ? +18476 ATOM C CB . ALA J 10 7 ? 31.770 -78.413 -81.559 1.00 77.93 ? 16 ALA K CB 1 ? ? +18477 ATOM C C . ALA J 10 7 ? 31.342 -79.673 -79.455 1.00 78.07 ? 16 ALA K C 1 ? ? +18478 ATOM O O . ALA J 10 7 ? 30.402 -79.143 -78.872 1.00 77.63 ? 16 ALA K O 1 ? ? +18479 ATOM N N . ILE J 10 8 ? 31.531 -80.997 -79.464 1.00 79.32 ? 17 ILE K N 1 ? ? +18480 ATOM C CA . ILE J 10 8 ? 30.612 -81.895 -78.778 1.00 80.06 ? 17 ILE K CA 1 ? ? +18481 ATOM C CB . ILE J 10 8 ? 30.736 -83.366 -79.282 1.00 82.04 ? 17 ILE K CB 1 ? ? +18482 ATOM C CG1 . ILE J 10 8 ? 31.951 -84.107 -78.670 1.00 83.11 ? 17 ILE K CG1 1 ? ? +18483 ATOM C CG2 . ILE J 10 8 ? 30.748 -83.439 -80.834 1.00 82.85 ? 17 ILE K CG2 1 ? ? +18484 ATOM C CD1 . ILE J 10 8 ? 33.292 -83.673 -79.190 1.00 83.36 ? 17 ILE K CD1 1 ? ? +18485 ATOM C C . ILE J 10 8 ? 30.770 -81.810 -77.259 1.00 79.55 ? 17 ILE K C 1 ? ? +18486 ATOM O O . ILE J 10 8 ? 29.853 -82.172 -76.532 1.00 79.16 ? 17 ILE K O 1 ? ? +18487 ATOM N N . PHE J 10 9 ? 31.932 -81.329 -76.790 1.00 79.76 ? 18 PHE K N 1 ? ? +18488 ATOM C CA . PHE J 10 9 ? 32.204 -81.140 -75.371 1.00 78.80 ? 18 PHE K CA 1 ? ? +18489 ATOM C CB . PHE J 10 9 ? 33.705 -81.342 -75.107 1.00 79.12 ? 18 PHE K CB 1 ? ? +18490 ATOM C CG . PHE J 10 9 ? 34.133 -82.767 -75.327 1.00 79.77 ? 18 PHE K CG 1 ? ? +18491 ATOM C CD1 . PHE J 10 9 ? 33.844 -83.745 -74.390 1.00 79.97 ? 18 PHE K CD1 1 ? ? +18492 ATOM C CD2 . PHE J 10 9 ? 34.784 -83.141 -76.485 1.00 80.00 ? 18 PHE K CD2 1 ? ? +18493 ATOM C CE1 . PHE J 10 9 ? 34.223 -85.065 -74.599 1.00 80.39 ? 18 PHE K CE1 1 ? ? +18494 ATOM C CE2 . PHE J 10 9 ? 35.148 -84.464 -76.696 1.00 80.86 ? 18 PHE K CE2 1 ? ? +18495 ATOM C CZ . PHE J 10 9 ? 34.866 -85.416 -75.752 1.00 81.01 ? 18 PHE K CZ 1 ? ? +18496 ATOM C C . PHE J 10 9 ? 31.784 -79.766 -74.857 1.00 77.86 ? 18 PHE K C 1 ? ? +18497 ATOM O O . PHE J 10 9 ? 32.028 -79.430 -73.703 1.00 77.46 ? 18 PHE K O 1 ? ? +18498 ATOM N N . ASP J 10 10 ? 31.135 -78.982 -75.721 1.00 77.92 ? 19 ASP K N 1 ? ? +18499 ATOM C CA . ASP J 10 10 ? 30.753 -77.619 -75.396 1.00 77.76 ? 19 ASP K CA 1 ? ? +18500 ATOM C CB . ASP J 10 10 ? 30.064 -76.968 -76.617 1.00 79.73 ? 19 ASP K CB 1 ? ? +18501 ATOM C CG . ASP J 10 10 ? 30.310 -75.482 -76.757 1.00 81.69 ? 19 ASP K CG 1 ? ? +18502 ATOM O OD1 . ASP J 10 10 ? 29.570 -74.690 -76.111 1.00 84.23 ? 19 ASP K OD1 1 ? ? +18503 ATOM O OD2 . ASP J 10 10 ? 31.261 -75.099 -77.505 1.00 82.72 ? 19 ASP K OD2 1 ? ? +18504 ATOM C C . ASP J 10 10 ? 29.862 -77.551 -74.154 1.00 75.72 ? 19 ASP K C 1 ? ? +18505 ATOM O O . ASP J 10 10 ? 30.060 -76.671 -73.317 1.00 75.42 ? 19 ASP K O 1 ? ? +18506 ATOM N N . PRO J 10 11 ? 28.857 -78.448 -73.984 1.00 74.07 ? 20 PRO K N 1 ? ? +18507 ATOM C CA . PRO J 10 11 ? 28.044 -78.479 -72.762 1.00 72.43 ? 20 PRO K CA 1 ? ? +18508 ATOM C CB . PRO J 10 11 ? 27.015 -79.584 -73.052 1.00 72.99 ? 20 PRO K CB 1 ? ? +18509 ATOM C CG . PRO J 10 11 ? 26.975 -79.686 -74.541 1.00 73.80 ? 20 PRO K CG 1 ? ? +18510 ATOM C CD . PRO J 10 11 ? 28.393 -79.434 -74.975 1.00 74.33 ? 20 PRO K CD 1 ? ? +18511 ATOM C C . PRO J 10 11 ? 28.816 -78.794 -71.483 1.00 71.02 ? 20 PRO K C 1 ? ? +18512 ATOM O O . PRO J 10 11 ? 28.397 -78.404 -70.394 1.00 69.72 ? 20 PRO K O 1 ? ? +18513 ATOM N N . LEU J 10 12 ? 29.932 -79.523 -71.623 1.00 70.42 ? 21 LEU K N 1 ? ? +18514 ATOM C CA . LEU J 10 12 ? 30.802 -79.805 -70.496 1.00 69.69 ? 21 LEU K CA 1 ? ? +18515 ATOM C CB . LEU J 10 12 ? 31.706 -81.007 -70.814 1.00 70.70 ? 21 LEU K CB 1 ? ? +18516 ATOM C CG . LEU J 10 12 ? 32.720 -81.418 -69.729 1.00 70.77 ? 21 LEU K CG 1 ? ? +18517 ATOM C CD1 . LEU J 10 12 ? 32.020 -81.927 -68.510 1.00 70.72 ? 21 LEU K CD1 1 ? ? +18518 ATOM C CD2 . LEU J 10 12 ? 33.686 -82.459 -70.254 1.00 71.52 ? 21 LEU K CD2 1 ? ? +18519 ATOM C C . LEU J 10 12 ? 31.617 -78.559 -70.153 1.00 68.53 ? 21 LEU K C 1 ? ? +18520 ATOM O O . LEU J 10 12 ? 31.758 -78.217 -68.984 1.00 67.94 ? 21 LEU K O 1 ? ? +18521 ATOM N N . VAL J 10 13 ? 32.140 -77.872 -71.176 1.00 67.89 ? 22 VAL K N 1 ? ? +18522 ATOM C CA . VAL J 10 13 ? 32.930 -76.669 -70.967 1.00 67.23 ? 22 VAL K CA 1 ? ? +18523 ATOM C CB . VAL J 10 13 ? 33.563 -76.166 -72.293 1.00 67.02 ? 22 VAL K CB 1 ? ? +18524 ATOM C CG1 . VAL J 10 13 ? 34.151 -74.773 -72.143 1.00 66.35 ? 22 VAL K CG1 1 ? ? +18525 ATOM C CG2 . VAL J 10 13 ? 34.622 -77.142 -72.789 1.00 67.63 ? 22 VAL K CG2 1 ? ? +18526 ATOM C C . VAL J 10 13 ? 32.116 -75.582 -70.267 1.00 66.57 ? 22 VAL K C 1 ? ? +18527 ATOM O O . VAL J 10 13 ? 32.661 -74.832 -69.464 1.00 66.30 ? 22 VAL K O 1 ? ? +18528 ATOM N N . ASP J 10 14 ? 30.813 -75.510 -70.569 1.00 66.71 ? 23 ASP K N 1 ? ? +18529 ATOM C CA . ASP J 10 14 ? 29.906 -74.562 -69.927 1.00 66.35 ? 23 ASP K CA 1 ? ? +18530 ATOM C CB . ASP J 10 14 ? 28.495 -74.658 -70.562 1.00 67.30 ? 23 ASP K CB 1 ? ? +18531 ATOM C CG . ASP J 10 14 ? 28.329 -73.990 -71.929 1.00 68.39 ? 23 ASP K CG 1 ? ? +18532 ATOM O OD1 . ASP J 10 14 ? 29.154 -73.094 -72.268 1.00 69.15 ? 23 ASP K OD1 1 ? ? +18533 ATOM O OD2 . ASP J 10 14 ? 27.373 -74.355 -72.661 1.00 69.23 ? 23 ASP K OD2 1 ? ? +18534 ATOM C C . ASP J 10 14 ? 29.772 -74.727 -68.412 1.00 65.30 ? 23 ASP K C 1 ? ? +18535 ATOM O O . ASP J 10 14 ? 29.461 -73.773 -67.711 1.00 64.24 ? 23 ASP K O 1 ? ? +18536 ATOM N N . VAL J 10 15 ? 30.005 -75.946 -67.918 1.00 65.75 ? 24 VAL K N 1 ? ? +18537 ATOM C CA . VAL J 10 15 ? 29.828 -76.276 -66.512 1.00 65.42 ? 24 VAL K CA 1 ? ? +18538 ATOM C CB . VAL J 10 15 ? 29.091 -77.639 -66.437 1.00 66.42 ? 24 VAL K CB 1 ? ? +18539 ATOM C CG1 . VAL J 10 15 ? 28.965 -78.123 -65.014 1.00 66.81 ? 24 VAL K CG1 1 ? ? +18540 ATOM C CG2 . VAL J 10 15 ? 27.718 -77.566 -67.100 1.00 66.54 ? 24 VAL K CG2 1 ? ? +18541 ATOM C C . VAL J 10 15 ? 31.129 -76.303 -65.704 1.00 64.92 ? 24 VAL K C 1 ? ? +18542 ATOM O O . VAL J 10 15 ? 31.093 -76.196 -64.483 1.00 64.18 ? 24 VAL K O 1 ? ? +18543 ATOM N N . LEU J 10 16 ? 32.282 -76.428 -66.381 1.00 64.79 ? 25 LEU K N 1 ? ? +18544 ATOM C CA . LEU J 10 16 ? 33.558 -76.604 -65.701 1.00 64.74 ? 25 LEU K CA 1 ? ? +18545 ATOM C CB . LEU J 10 16 ? 34.712 -76.706 -66.705 1.00 65.15 ? 25 LEU K CB 1 ? ? +18546 ATOM C CG . LEU J 10 16 ? 34.756 -77.971 -67.555 1.00 65.80 ? 25 LEU K CG 1 ? ? +18547 ATOM C CD1 . LEU J 10 16 ? 36.056 -78.086 -68.286 1.00 66.29 ? 25 LEU K CD1 1 ? ? +18548 ATOM C CD2 . LEU J 10 16 ? 34.506 -79.203 -66.725 1.00 66.16 ? 25 LEU K CD2 1 ? ? +18549 ATOM C C . LEU J 10 16 ? 33.890 -75.496 -64.705 1.00 64.08 ? 25 LEU K C 1 ? ? +18550 ATOM O O . LEU J 10 16 ? 34.350 -75.790 -63.602 1.00 63.92 ? 25 LEU K O 1 ? ? +18551 ATOM N N . PRO J 10 17 ? 33.682 -74.203 -65.048 1.00 63.56 ? 26 PRO K N 1 ? ? +18552 ATOM C CA . PRO J 10 17 ? 34.043 -73.105 -64.147 1.00 63.10 ? 26 PRO K CA 1 ? ? +18553 ATOM C CB . PRO J 10 17 ? 33.508 -71.875 -64.890 1.00 62.53 ? 26 PRO K CB 1 ? ? +18554 ATOM C CG . PRO J 10 17 ? 33.500 -72.271 -66.332 1.00 62.88 ? 26 PRO K CG 1 ? ? +18555 ATOM C CD . PRO J 10 17 ? 33.113 -73.721 -66.319 1.00 63.44 ? 26 PRO K CD 1 ? ? +18556 ATOM C C . PRO J 10 17 ? 33.477 -73.179 -62.727 1.00 63.03 ? 26 PRO K C 1 ? ? +18557 ATOM O O . PRO J 10 17 ? 34.086 -72.662 -61.792 1.00 62.91 ? 26 PRO K O 1 ? ? +18558 ATOM N N . VAL J 10 18 ? 32.312 -73.819 -62.575 1.00 63.31 ? 27 VAL K N 1 ? ? +18559 ATOM C CA . VAL J 10 18 ? 31.611 -73.873 -61.300 1.00 63.20 ? 27 VAL K CA 1 ? ? +18560 ATOM C CB . VAL J 10 18 ? 30.085 -74.154 -61.534 1.00 63.76 ? 27 VAL K CB 1 ? ? +18561 ATOM C CG1 . VAL J 10 18 ? 29.835 -75.539 -62.083 1.00 64.65 ? 27 VAL K CG1 1 ? ? +18562 ATOM C CG2 . VAL J 10 18 ? 29.256 -73.969 -60.265 1.00 63.74 ? 27 VAL K CG2 1 ? ? +18563 ATOM C C . VAL J 10 18 ? 32.223 -74.888 -60.338 1.00 63.28 ? 27 VAL K C 1 ? ? +18564 ATOM O O . VAL J 10 18 ? 32.032 -74.782 -59.132 1.00 62.91 ? 27 VAL K O 1 ? ? +18565 ATOM N N . ILE J 10 19 ? 32.980 -75.859 -60.861 1.00 64.02 ? 28 ILE K N 1 ? ? +18566 ATOM C CA . ILE J 10 19 ? 33.448 -76.984 -60.063 1.00 64.62 ? 28 ILE K CA 1 ? ? +18567 ATOM C CB . ILE J 10 19 ? 34.271 -77.956 -60.945 1.00 65.23 ? 28 ILE K CB 1 ? ? +18568 ATOM C CG1 . ILE J 10 19 ? 33.388 -78.611 -62.008 1.00 65.33 ? 28 ILE K CG1 1 ? ? +18569 ATOM C CG2 . ILE J 10 19 ? 34.978 -79.017 -60.099 1.00 65.94 ? 28 ILE K CG2 1 ? ? +18570 ATOM C CD1 . ILE J 10 19 ? 34.082 -79.518 -62.972 1.00 65.95 ? 28 ILE K CD1 1 ? ? +18571 ATOM C C . ILE J 10 19 ? 34.222 -76.596 -58.800 1.00 64.87 ? 28 ILE K C 1 ? ? +18572 ATOM O O . ILE J 10 19 ? 34.106 -77.279 -57.783 1.00 65.12 ? 28 ILE K O 1 ? ? +18573 ATOM N N . PRO J 10 20 ? 35.060 -75.528 -58.810 1.00 64.93 ? 29 PRO K N 1 ? ? +18574 ATOM C CA . PRO J 10 20 ? 35.707 -75.046 -57.587 1.00 64.79 ? 29 PRO K CA 1 ? ? +18575 ATOM C CB . PRO J 10 20 ? 36.395 -73.771 -58.058 1.00 64.46 ? 29 PRO K CB 1 ? ? +18576 ATOM C CG . PRO J 10 20 ? 36.693 -74.040 -59.509 1.00 64.87 ? 29 PRO K CG 1 ? ? +18577 ATOM C CD . PRO J 10 20 ? 35.485 -74.762 -59.995 1.00 64.79 ? 29 PRO K CD 1 ? ? +18578 ATOM C C . PRO J 10 20 ? 34.760 -74.775 -56.419 1.00 64.44 ? 29 PRO K C 1 ? ? +18579 ATOM O O . PRO J 10 20 ? 35.102 -75.083 -55.282 1.00 64.64 ? 29 PRO K O 1 ? ? +18580 ATOM N N . VAL J 10 21 ? 33.579 -74.206 -56.707 1.00 64.03 ? 30 VAL K N 1 ? ? +18581 ATOM C CA . VAL J 10 21 ? 32.553 -73.994 -55.694 1.00 63.73 ? 30 VAL K CA 1 ? ? +18582 ATOM C CB . VAL J 10 21 ? 31.311 -73.256 -56.279 1.00 64.02 ? 30 VAL K CB 1 ? ? +18583 ATOM C CG1 . VAL J 10 21 ? 30.075 -73.372 -55.381 1.00 64.10 ? 30 VAL K CG1 1 ? ? +18584 ATOM C CG2 . VAL J 10 21 ? 31.629 -71.798 -56.548 1.00 63.92 ? 30 VAL K CG2 1 ? ? +18585 ATOM C C . VAL J 10 21 ? 32.115 -75.297 -55.030 1.00 63.48 ? 30 VAL K C 1 ? ? +18586 ATOM O O . VAL J 10 21 ? 31.769 -75.309 -53.852 1.00 63.20 ? 30 VAL K O 1 ? ? +18587 ATOM N N . LEU J 10 22 ? 32.100 -76.384 -55.806 1.00 63.59 ? 31 LEU K N 1 ? ? +18588 ATOM C CA . LEU J 10 22 ? 31.660 -77.675 -55.303 1.00 63.73 ? 31 LEU K CA 1 ? ? +18589 ATOM C CB . LEU J 10 22 ? 31.480 -78.637 -56.491 1.00 64.30 ? 31 LEU K CB 1 ? ? +18590 ATOM C CG . LEU J 10 22 ? 30.301 -78.299 -57.406 1.00 64.06 ? 31 LEU K CG 1 ? ? +18591 ATOM C CD1 . LEU J 10 22 ? 30.261 -79.171 -58.646 1.00 64.62 ? 31 LEU K CD1 1 ? ? +18592 ATOM C CD2 . LEU J 10 22 ? 28.998 -78.459 -56.657 1.00 63.99 ? 31 LEU K CD2 1 ? ? +18593 ATOM C C . LEU J 10 22 ? 32.618 -78.246 -54.256 1.00 63.64 ? 31 LEU K C 1 ? ? +18594 ATOM O O . LEU J 10 22 ? 32.190 -78.989 -53.371 1.00 63.91 ? 31 LEU K O 1 ? ? +18595 ATOM N N . PHE J 10 23 ? 33.905 -77.887 -54.349 1.00 63.07 ? 32 PHE K N 1 ? ? +18596 ATOM C CA . PHE J 10 23 ? 34.877 -78.323 -53.361 1.00 63.11 ? 32 PHE K CA 1 ? ? +18597 ATOM C CB . PHE J 10 23 ? 36.301 -77.963 -53.782 1.00 63.20 ? 32 PHE K CB 1 ? ? +18598 ATOM C CG . PHE J 10 23 ? 36.910 -78.941 -54.742 1.00 63.61 ? 32 PHE K CG 1 ? ? +18599 ATOM C CD1 . PHE J 10 23 ? 37.543 -80.080 -54.284 1.00 64.15 ? 32 PHE K CD1 1 ? ? +18600 ATOM C CD2 . PHE J 10 23 ? 36.820 -78.740 -56.102 1.00 63.56 ? 32 PHE K CD2 1 ? ? +18601 ATOM C CE1 . PHE J 10 23 ? 38.105 -80.983 -55.170 1.00 64.80 ? 32 PHE K CE1 1 ? ? +18602 ATOM C CE2 . PHE J 10 23 ? 37.387 -79.641 -56.987 1.00 64.27 ? 32 PHE K CE2 1 ? ? +18603 ATOM C CZ . PHE J 10 23 ? 38.031 -80.758 -56.515 1.00 64.88 ? 32 PHE K CZ 1 ? ? +18604 ATOM C C . PHE J 10 23 ? 34.587 -77.735 -51.984 1.00 62.66 ? 32 PHE K C 1 ? ? +18605 ATOM O O . PHE J 10 23 ? 34.736 -78.419 -50.975 1.00 63.03 ? 32 PHE K O 1 ? ? +18606 ATOM N N . LEU J 10 24 ? 34.182 -76.464 -51.948 1.00 62.08 ? 33 LEU K N 1 ? ? +18607 ATOM C CA . LEU J 10 24 ? 33.808 -75.823 -50.698 1.00 61.78 ? 33 LEU K CA 1 ? ? +18608 ATOM C CB . LEU J 10 24 ? 33.546 -74.322 -50.904 1.00 60.85 ? 33 LEU K CB 1 ? ? +18609 ATOM C CG . LEU J 10 24 ? 32.973 -73.578 -49.701 1.00 60.28 ? 33 LEU K CG 1 ? ? +18610 ATOM C CD1 . LEU J 10 24 ? 33.972 -73.528 -48.564 1.00 60.43 ? 33 LEU K CD1 1 ? ? +18611 ATOM C CD2 . LEU J 10 24 ? 32.544 -72.163 -50.078 1.00 59.51 ? 33 LEU K CD2 1 ? ? +18612 ATOM C C . LEU J 10 24 ? 32.576 -76.501 -50.100 1.00 62.31 ? 33 LEU K C 1 ? ? +18613 ATOM O O . LEU J 10 24 ? 32.536 -76.750 -48.900 1.00 62.61 ? 33 LEU K O 1 ? ? +18614 ATOM N N . ALA J 10 25 ? 31.573 -76.785 -50.941 1.00 62.70 ? 34 ALA K N 1 ? ? +18615 ATOM C CA . ALA J 10 25 ? 30.382 -77.502 -50.510 1.00 63.10 ? 34 ALA K CA 1 ? ? +18616 ATOM C CB . ALA J 10 25 ? 29.367 -77.564 -51.646 1.00 63.22 ? 34 ALA K CB 1 ? ? +18617 ATOM C C . ALA J 10 25 ? 30.701 -78.913 -50.012 1.00 63.60 ? 34 ALA K C 1 ? ? +18618 ATOM O O . ALA J 10 25 ? 30.113 -79.381 -49.042 1.00 63.42 ? 34 ALA K O 1 ? ? +18619 ATOM N N . LEU J 10 26 ? 31.648 -79.585 -50.674 1.00 64.09 ? 35 LEU K N 1 ? ? +18620 ATOM C CA . LEU J 10 26 ? 32.045 -80.928 -50.273 1.00 64.75 ? 35 LEU K CA 1 ? ? +18621 ATOM C CB . LEU J 10 26 ? 33.064 -81.507 -51.280 1.00 65.32 ? 35 LEU K CB 1 ? ? +18622 ATOM C CG . LEU J 10 26 ? 33.421 -82.986 -51.095 1.00 66.14 ? 35 LEU K CG 1 ? ? +18623 ATOM C CD1 . LEU J 10 26 ? 32.199 -83.879 -51.233 1.00 66.44 ? 35 LEU K CD1 1 ? ? +18624 ATOM C CD2 . LEU J 10 26 ? 34.459 -83.417 -52.099 1.00 66.57 ? 35 LEU K CD2 1 ? ? +18625 ATOM C C . LEU J 10 26 ? 32.623 -80.972 -48.856 1.00 64.54 ? 35 LEU K C 1 ? ? +18626 ATOM O O . LEU J 10 26 ? 32.432 -81.953 -48.141 1.00 64.99 ? 35 LEU K O 1 ? ? +18627 ATOM N N . ALA J 10 27 ? 33.323 -79.904 -48.452 1.00 63.83 ? 36 ALA K N 1 ? ? +18628 ATOM C CA . ALA J 10 27 ? 33.864 -79.815 -47.105 1.00 63.75 ? 36 ALA K CA 1 ? ? +18629 ATOM C CB . ALA J 10 27 ? 34.592 -78.493 -46.907 1.00 63.11 ? 36 ALA K CB 1 ? ? +18630 ATOM C C . ALA J 10 27 ? 32.765 -79.981 -46.056 1.00 63.67 ? 36 ALA K C 1 ? ? +18631 ATOM O O . ALA J 10 27 ? 32.982 -80.624 -45.029 1.00 64.02 ? 36 ALA K O 1 ? ? +18632 ATOM N N . PHE J 10 28 ? 31.583 -79.414 -46.334 1.00 63.19 ? 37 PHE K N 1 ? ? +18633 ATOM C CA . PHE J 10 28 ? 30.462 -79.501 -45.411 1.00 63.27 ? 37 PHE K CA 1 ? ? +18634 ATOM C CB . PHE J 10 28 ? 29.418 -78.403 -45.679 1.00 62.93 ? 37 PHE K CB 1 ? ? +18635 ATOM C CG . PHE J 10 28 ? 29.926 -77.051 -45.255 1.00 62.72 ? 37 PHE K CG 1 ? ? +18636 ATOM C CD1 . PHE J 10 28 ? 30.795 -76.337 -46.064 1.00 62.70 ? 37 PHE K CD1 1 ? ? +18637 ATOM C CD2 . PHE J 10 28 ? 29.601 -76.527 -44.012 1.00 62.63 ? 37 PHE K CD2 1 ? ? +18638 ATOM C CE1 . PHE J 10 28 ? 31.290 -75.102 -45.664 1.00 62.31 ? 37 PHE K CE1 1 ? ? +18639 ATOM C CE2 . PHE J 10 28 ? 30.106 -75.295 -43.610 1.00 62.33 ? 37 PHE K CE2 1 ? ? +18640 ATOM C CZ . PHE J 10 28 ? 30.950 -74.589 -44.439 1.00 62.08 ? 37 PHE K CZ 1 ? ? +18641 ATOM C C . PHE J 10 28 ? 29.795 -80.874 -45.415 1.00 63.70 ? 37 PHE K C 1 ? ? +18642 ATOM O O . PHE J 10 28 ? 29.352 -81.338 -44.369 1.00 63.83 ? 37 PHE K O 1 ? ? +18643 ATOM N N . VAL J 10 29 ? 29.739 -81.526 -46.582 1.00 64.05 ? 38 VAL K N 1 ? ? +18644 ATOM C CA . VAL J 10 29 ? 29.258 -82.896 -46.666 1.00 64.85 ? 38 VAL K CA 1 ? ? +18645 ATOM C CB . VAL J 10 29 ? 29.158 -83.392 -48.121 1.00 65.26 ? 38 VAL K CB 1 ? ? +18646 ATOM C CG1 . VAL J 10 29 ? 28.793 -84.870 -48.191 1.00 66.11 ? 38 VAL K CG1 1 ? ? +18647 ATOM C CG2 . VAL J 10 29 ? 28.151 -82.560 -48.898 1.00 64.85 ? 38 VAL K CG2 1 ? ? +18648 ATOM C C . VAL J 10 29 ? 30.164 -83.800 -45.841 1.00 65.70 ? 38 VAL K C 1 ? ? +18649 ATOM O O . VAL J 10 29 ? 29.681 -84.603 -45.052 1.00 66.14 ? 38 VAL K O 1 ? ? +18650 ATOM N N . TRP J 10 30 ? 31.479 -83.655 -46.034 1.00 66.16 ? 39 TRP K N 1 ? ? +18651 ATOM C CA . TRP J 10 30 ? 32.467 -84.402 -45.276 1.00 66.89 ? 39 TRP K CA 1 ? ? +18652 ATOM C CB . TRP J 10 30 ? 33.867 -84.019 -45.745 1.00 67.19 ? 39 TRP K CB 1 ? ? +18653 ATOM C CG . TRP J 10 30 ? 34.966 -84.452 -44.834 1.00 67.90 ? 39 TRP K CG 1 ? ? +18654 ATOM C CD1 . TRP J 10 30 ? 35.215 -85.711 -44.374 1.00 68.98 ? 39 TRP K CD1 1 ? ? +18655 ATOM N NE1 . TRP J 10 30 ? 36.327 -85.706 -43.565 1.00 69.38 ? 39 TRP K NE1 1 ? ? +18656 ATOM C CE2 . TRP J 10 30 ? 36.814 -84.430 -43.494 1.00 68.71 ? 39 TRP K CE2 1 ? ? +18657 ATOM C CZ2 . TRP J 10 30 ? 37.912 -83.921 -42.808 1.00 68.77 ? 39 TRP K CZ2 1 ? ? +18658 ATOM C CH2 . TRP J 10 30 ? 38.162 -82.581 -42.929 1.00 67.95 ? 39 TRP K CH2 1 ? ? +18659 ATOM C CZ3 . TRP J 10 30 ? 37.354 -81.751 -43.710 1.00 67.18 ? 39 TRP K CZ3 1 ? ? +18660 ATOM C CE3 . TRP J 10 30 ? 36.266 -82.253 -44.391 1.00 67.10 ? 39 TRP K CE3 1 ? ? +18661 ATOM C CD2 . TRP J 10 30 ? 35.976 -83.616 -44.283 1.00 67.75 ? 39 TRP K CD2 1 ? ? +18662 ATOM C C . TRP J 10 30 ? 32.312 -84.191 -43.774 1.00 66.90 ? 39 TRP K C 1 ? ? +18663 ATOM O O . TRP J 10 30 ? 32.236 -85.161 -43.023 1.00 67.48 ? 39 TRP K O 1 ? ? +18664 ATOM N N . GLN J 10 31 ? 32.252 -82.927 -43.339 1.00 66.44 ? 40 GLN K N 1 ? ? +18665 ATOM C CA . GLN J 10 31 ? 32.157 -82.638 -41.917 1.00 66.67 ? 40 GLN K CA 1 ? ? +18666 ATOM C CB . GLN J 10 31 ? 32.309 -81.145 -41.620 1.00 66.02 ? 40 GLN K CB 1 ? ? +18667 ATOM C CG . GLN J 10 31 ? 33.755 -80.678 -41.625 1.00 66.39 ? 40 GLN K CG 1 ? ? +18668 ATOM C CD . GLN J 10 31 ? 34.650 -81.448 -40.666 1.00 67.35 ? 40 GLN K CD 1 ? ? +18669 ATOM O OE1 . GLN J 10 31 ? 35.517 -82.245 -41.072 1.00 68.08 ? 40 GLN K OE1 1 ? ? +18670 ATOM N NE2 . GLN J 10 31 ? 34.479 -81.225 -39.385 1.00 67.61 ? 40 GLN K NE2 1 ? ? +18671 ATOM C C . GLN J 10 31 ? 30.861 -83.160 -41.302 1.00 67.17 ? 40 GLN K C 1 ? ? +18672 ATOM O O . GLN J 10 31 ? 30.864 -83.564 -40.144 1.00 67.58 ? 40 GLN K O 1 ? ? +18673 ATOM N N . ALA J 10 32 ? 29.767 -83.153 -42.075 1.00 67.51 ? 41 ALA K N 1 ? ? +18674 ATOM C CA . ALA J 10 32 ? 28.501 -83.704 -41.613 1.00 68.07 ? 41 ALA K CA 1 ? ? +18675 ATOM C CB . ALA J 10 32 ? 27.377 -83.363 -42.582 1.00 67.76 ? 41 ALA K CB 1 ? ? +18676 ATOM C C . ALA J 10 32 ? 28.595 -85.216 -41.424 1.00 69.17 ? 41 ALA K C 1 ? ? +18677 ATOM O O . ALA J 10 32 ? 28.014 -85.762 -40.491 1.00 69.52 ? 41 ALA K O 1 ? ? +18678 ATOM N N . ALA J 10 33 ? 29.348 -85.880 -42.306 1.00 69.98 ? 42 ALA K N 1 ? ? +18679 ATOM C CA . ALA J 10 33 ? 29.562 -87.315 -42.211 1.00 71.23 ? 42 ALA K CA 1 ? ? +18680 ATOM C CB . ALA J 10 33 ? 30.249 -87.829 -43.468 1.00 71.50 ? 42 ALA K CB 1 ? ? +18681 ATOM C C . ALA J 10 33 ? 30.360 -87.750 -40.980 1.00 72.00 ? 42 ALA K C 1 ? ? +18682 ATOM O O . ALA J 10 33 ? 30.184 -88.870 -40.512 1.00 73.14 ? 42 ALA K O 1 ? ? +18683 ATOM N N . VAL J 10 34 ? 31.247 -86.892 -40.458 1.00 71.81 ? 43 VAL K N 1 ? ? +18684 ATOM C CA . VAL J 10 34 ? 31.999 -87.244 -39.259 1.00 72.36 ? 43 VAL K CA 1 ? ? +18685 ATOM C CB . VAL J 10 34 ? 33.538 -87.111 -39.461 1.00 72.68 ? 43 VAL K CB 1 ? ? +18686 ATOM C CG1 . VAL J 10 34 ? 34.009 -87.913 -40.663 1.00 73.28 ? 43 VAL K CG1 1 ? ? +18687 ATOM C CG2 . VAL J 10 34 ? 33.977 -85.660 -39.594 1.00 72.04 ? 43 VAL K CG2 1 ? ? +18688 ATOM C C . VAL J 10 34 ? 31.522 -86.456 -38.037 1.00 71.89 ? 43 VAL K C 1 ? ? +18689 ATOM O O . VAL J 10 34 ? 32.235 -86.378 -37.033 1.00 72.15 ? 43 VAL K O 1 ? ? +18690 ATOM N N . GLY J 10 35 ? 30.310 -85.886 -38.135 1.00 71.28 ? 44 GLY K N 1 ? ? +18691 ATOM C CA . GLY J 10 35 ? 29.604 -85.327 -36.993 1.00 71.02 ? 44 GLY K CA 1 ? ? +18692 ATOM C C . GLY J 10 35 ? 30.100 -83.966 -36.509 1.00 70.71 ? 44 GLY K C 1 ? ? +18693 ATOM O O . GLY J 10 35 ? 29.796 -83.575 -35.385 1.00 70.14 ? 44 GLY K O 1 ? ? +18694 ATOM N N . PHE J 10 36 ? 30.844 -83.251 -37.371 1.00 71.02 ? 45 PHE K N 1 ? ? +18695 ATOM C CA . PHE J 10 36 ? 31.440 -81.964 -37.035 1.00 70.46 ? 45 PHE K CA 1 ? ? +18696 ATOM C CB . PHE J 10 36 ? 30.347 -80.889 -36.855 1.00 69.87 ? 45 PHE K CB 1 ? ? +18697 ATOM C CG . PHE J 10 36 ? 29.573 -80.540 -38.099 1.00 69.56 ? 45 PHE K CG 1 ? ? +18698 ATOM C CD1 . PHE J 10 36 ? 30.119 -79.713 -39.064 1.00 69.29 ? 45 PHE K CD1 1 ? ? +18699 ATOM C CD2 . PHE J 10 36 ? 28.293 -81.030 -38.299 1.00 69.83 ? 45 PHE K CD2 1 ? ? +18700 ATOM C CE1 . PHE J 10 36 ? 29.398 -79.381 -40.207 1.00 69.05 ? 45 PHE K CE1 1 ? ? +18701 ATOM C CE2 . PHE J 10 36 ? 27.573 -80.697 -39.443 1.00 69.60 ? 45 PHE K CE2 1 ? ? +18702 ATOM C CZ . PHE J 10 36 ? 28.129 -79.877 -40.390 1.00 69.14 ? 45 PHE K CZ 1 ? ? +18703 ATOM C C . PHE J 10 36 ? 32.287 -82.063 -35.770 1.00 70.66 ? 45 PHE K C 1 ? ? +18704 ATOM O O . PHE J 10 36 ? 32.234 -81.183 -34.917 1.00 70.11 ? 45 PHE K O 1 ? ? +18705 ATOM N N . ARG J 10 37 ? 33.051 -83.152 -35.656 1.00 71.82 ? 46 ARG K N 1 ? ? +18706 ATOM C CA . ARG J 10 37 ? 33.815 -83.438 -34.453 1.00 73.10 ? 46 ARG K CA 1 ? ? +18707 ATOM C CB . ARG J 10 37 ? 34.376 -84.862 -34.532 1.00 75.16 ? 46 ARG K CB 1 ? ? +18708 ATOM C CG . ARG J 10 37 ? 35.442 -85.006 -35.616 1.00 76.28 ? 46 ARG K CG 1 ? ? +18709 ATOM C CD . ARG J 10 37 ? 35.750 -86.425 -36.022 1.00 77.79 ? 46 ARG K CD 1 ? ? +18710 ATOM N NE . ARG J 10 37 ? 36.605 -86.406 -37.205 1.00 78.99 ? 46 ARG K NE 1 ? ? +18711 ATOM C CZ . ARG J 10 37 ? 37.036 -87.479 -37.857 1.00 80.05 ? 46 ARG K CZ 1 ? ? +18712 ATOM N NH1 . ARG J 10 37 ? 36.774 -88.704 -37.425 1.00 80.64 ? 46 ARG K NH1 1 ? ? +18713 ATOM N NH2 . ARG J 10 37 ? 37.725 -87.315 -38.986 1.00 80.16 ? 46 ARG K NH2 1 ? ? +18714 ATOM C C . ARG J 10 37 ? 34.960 -82.412 -34.241 1.00 72.38 ? 46 ARG K C 1 ? ? +18715 ATOM O O . ARG J 10 37 ? 35.450 -81.801 -35.207 1.00 71.61 ? 46 ARG K O 1 ? ? +18716 ATOM O OXT . ARG J 10 37 ? 35.382 -82.209 -33.102 1.00 71.77 ? 46 ARG K OXT 1 ? ? +18717 ATOM N N . GLU K 11 1 ? 2.203 -32.957 13.253 1.00 110.00 ? 2 GLU L N 1 ? ? +18718 ATOM C CA . GLU K 11 1 ? 1.580 -34.109 12.612 1.00 108.69 ? 2 GLU L CA 1 ? ? +18719 ATOM C CB . GLU K 11 1 ? 0.146 -33.728 12.192 1.00 107.82 ? 2 GLU L CB 1 ? ? +18720 ATOM C CG . GLU K 11 1 ? -0.805 -34.907 12.114 1.00 108.40 ? 2 GLU L CG 1 ? ? +18721 ATOM C CD . GLU K 11 1 ? -2.211 -34.559 11.658 1.00 110.50 ? 2 GLU L CD 1 ? ? +18722 ATOM O OE1 . GLU K 11 1 ? -2.348 -33.842 10.640 1.00 109.48 ? 2 GLU L OE1 1 ? ? +18723 ATOM O OE2 . GLU K 11 1 ? -3.181 -35.020 12.305 1.00 112.05 ? 2 GLU L OE2 1 ? ? +18724 ATOM C C . GLU K 11 1 ? 2.447 -34.562 11.431 1.00 106.77 ? 2 GLU L C 1 ? ? +18725 ATOM O O . GLU K 11 1 ? 2.155 -34.234 10.279 1.00 106.60 ? 2 GLU L O 1 ? ? +18726 ATOM N N . PRO K 11 2 ? 3.560 -35.300 11.678 1.00 101.46 ? 3 PRO L N 1 ? ? +18727 ATOM C CA . PRO K 11 2 ? 4.479 -35.696 10.606 1.00 97.09 ? 3 PRO L CA 1 ? ? +18728 ATOM C CB . PRO K 11 2 ? 5.725 -36.168 11.376 1.00 97.95 ? 3 PRO L CB 1 ? ? +18729 ATOM C CG . PRO K 11 2 ? 5.182 -36.670 12.681 1.00 99.61 ? 3 PRO L CG 1 ? ? +18730 ATOM C CD . PRO K 11 2 ? 3.998 -35.784 13.001 1.00 101.18 ? 3 PRO L CD 1 ? ? +18731 ATOM C C . PRO K 11 2 ? 3.915 -36.804 9.715 1.00 91.95 ? 3 PRO L C 1 ? ? +18732 ATOM O O . PRO K 11 2 ? 3.525 -37.868 10.201 1.00 91.11 ? 3 PRO L O 1 ? ? +18733 ATOM N N . ASN K 11 3 ? 3.899 -36.548 8.401 1.00 85.60 ? 4 ASN L N 1 ? ? +18734 ATOM C CA . ASN K 11 3 ? 3.480 -37.540 7.423 1.00 80.88 ? 4 ASN L CA 1 ? ? +18735 ATOM C CB . ASN K 11 3 ? 3.184 -36.863 6.077 1.00 77.96 ? 4 ASN L CB 1 ? ? +18736 ATOM C CG . ASN K 11 3 ? 2.473 -37.765 5.093 1.00 76.32 ? 4 ASN L CG 1 ? ? +18737 ATOM O OD1 . ASN K 11 3 ? 3.022 -38.760 4.619 1.00 75.37 ? 4 ASN L OD1 1 ? ? +18738 ATOM N ND2 . ASN K 11 3 ? 1.228 -37.453 4.768 1.00 75.52 ? 4 ASN L ND2 1 ? ? +18739 ATOM C C . ASN K 11 3 ? 4.533 -38.636 7.260 1.00 78.84 ? 4 ASN L C 1 ? ? +18740 ATOM O O . ASN K 11 3 ? 5.681 -38.349 6.933 1.00 77.60 ? 4 ASN L O 1 ? ? +18741 ATOM N N . PRO K 11 4 ? 4.178 -39.929 7.454 1.00 78.56 ? 5 PRO L N 1 ? ? +18742 ATOM C CA . PRO K 11 4 ? 5.161 -41.015 7.390 1.00 77.77 ? 5 PRO L CA 1 ? ? +18743 ATOM C CB . PRO K 11 4 ? 4.419 -42.170 8.085 1.00 78.53 ? 5 PRO L CB 1 ? ? +18744 ATOM C CG . PRO K 11 4 ? 2.957 -41.916 7.766 1.00 78.18 ? 5 PRO L CG 1 ? ? +18745 ATOM C CD . PRO K 11 4 ? 2.812 -40.409 7.744 1.00 78.08 ? 5 PRO L CD 1 ? ? +18746 ATOM C C . PRO K 11 4 ? 5.617 -41.446 5.993 1.00 76.59 ? 5 PRO L C 1 ? ? +18747 ATOM O O . PRO K 11 4 ? 6.510 -42.282 5.875 1.00 78.14 ? 5 PRO L O 1 ? ? +18748 ATOM N N . ASN K 11 5 ? 4.998 -40.888 4.942 1.00 74.67 ? 6 ASN L N 1 ? ? +18749 ATOM C CA . ASN K 11 5 ? 5.230 -41.317 3.572 1.00 73.31 ? 6 ASN L CA 1 ? ? +18750 ATOM C CB . ASN K 11 5 ? 3.928 -41.205 2.750 1.00 72.12 ? 6 ASN L CB 1 ? ? +18751 ATOM C CG . ASN K 11 5 ? 2.809 -42.012 3.324 1.00 71.05 ? 6 ASN L CG 1 ? ? +18752 ATOM O OD1 . ASN K 11 5 ? 2.771 -43.222 3.183 1.00 71.12 ? 6 ASN L OD1 1 ? ? +18753 ATOM N ND2 . ASN K 11 5 ? 1.886 -41.369 3.988 1.00 70.72 ? 6 ASN L ND2 1 ? ? +18754 ATOM C C . ASN K 11 5 ? 6.329 -40.526 2.873 1.00 73.23 ? 6 ASN L C 1 ? ? +18755 ATOM O O . ASN K 11 5 ? 6.677 -40.834 1.740 1.00 72.83 ? 6 ASN L O 1 ? ? +18756 ATOM N N . ARG K 11 6 ? 6.861 -39.505 3.548 1.00 75.67 ? 7 ARG L N 1 ? ? +18757 ATOM C CA . ARG K 11 6 ? 7.975 -38.744 3.014 1.00 79.23 ? 7 ARG L CA 1 ? ? +18758 ATOM C CB . ARG K 11 6 ? 8.399 -37.641 4.000 1.00 86.55 ? 7 ARG L CB 1 ? ? +18759 ATOM C CG . ARG K 11 6 ? 7.353 -36.570 4.268 1.00 92.57 ? 7 ARG L CG 1 ? ? +18760 ATOM C CD . ARG K 11 6 ? 7.919 -35.456 5.163 1.00 100.88 ? 7 ARG L CD 1 ? ? +18761 ATOM N NE . ARG K 11 6 ? 7.903 -35.802 6.585 1.00 107.64 ? 7 ARG L NE 1 ? ? +18762 ATOM C CZ . ARG K 11 6 ? 7.106 -35.247 7.500 1.00 112.64 ? 7 ARG L CZ 1 ? ? +18763 ATOM N NH1 . ARG K 11 6 ? 6.141 -34.402 7.163 1.00 112.29 ? 7 ARG L NH1 1 ? ? +18764 ATOM N NH2 . ARG K 11 6 ? 7.274 -35.561 8.782 1.00 114.12 ? 7 ARG L NH2 1 ? ? +18765 ATOM C C . ARG K 11 6 ? 9.164 -39.666 2.732 1.00 76.44 ? 7 ARG L C 1 ? ? +18766 ATOM O O . ARG K 11 6 ? 9.363 -40.653 3.438 1.00 75.91 ? 7 ARG L O 1 ? ? +18767 ATOM N N . GLN K 11 7 ? 9.927 -39.331 1.683 1.00 73.15 ? 8 GLN L N 1 ? ? +18768 ATOM C CA . GLN K 11 7 ? 11.060 -40.110 1.215 1.00 71.29 ? 8 GLN L CA 1 ? ? +18769 ATOM C CB . GLN K 11 7 ? 10.624 -41.074 0.101 1.00 72.88 ? 8 GLN L CB 1 ? ? +18770 ATOM C CG . GLN K 11 7 ? 9.944 -42.355 0.578 1.00 74.21 ? 8 GLN L CG 1 ? ? +18771 ATOM C CD . GLN K 11 7 ? 10.952 -43.355 1.071 1.00 76.22 ? 8 GLN L CD 1 ? ? +18772 ATOM O OE1 . GLN K 11 7 ? 12.172 -43.140 1.013 1.00 77.39 ? 8 GLN L OE1 1 ? ? +18773 ATOM N NE2 . GLN K 11 7 ? 10.476 -44.466 1.568 1.00 77.60 ? 8 GLN L NE2 1 ? ? +18774 ATOM C C . GLN K 11 7 ? 12.110 -39.164 0.644 1.00 67.64 ? 8 GLN L C 1 ? ? +18775 ATOM O O . GLN K 11 7 ? 11.753 -38.228 -0.064 1.00 66.62 ? 8 GLN L O 1 ? ? +18776 ATOM N N . PRO K 11 8 ? 13.422 -39.376 0.903 1.00 64.50 ? 9 PRO L N 1 ? ? +18777 ATOM C CA . PRO K 11 8 ? 14.465 -38.568 0.272 1.00 62.59 ? 9 PRO L CA 1 ? ? +18778 ATOM C CB . PRO K 11 8 ? 15.723 -38.974 1.023 1.00 62.96 ? 9 PRO L CB 1 ? ? +18779 ATOM C CG . PRO K 11 8 ? 15.456 -40.346 1.508 1.00 63.87 ? 9 PRO L CG 1 ? ? +18780 ATOM C CD . PRO K 11 8 ? 13.978 -40.384 1.816 1.00 64.82 ? 9 PRO L CD 1 ? ? +18781 ATOM C C . PRO K 11 8 ? 14.602 -38.840 -1.221 1.00 60.90 ? 9 PRO L C 1 ? ? +18782 ATOM O O . PRO K 11 8 ? 14.405 -39.968 -1.666 1.00 62.07 ? 9 PRO L O 1 ? ? +18783 ATOM N N . VAL K 11 9 ? 14.915 -37.785 -1.981 1.00 58.85 ? 10 VAL L N 1 ? ? +18784 ATOM C CA . VAL K 11 9 ? 15.128 -37.869 -3.418 1.00 57.13 ? 10 VAL L CA 1 ? ? +18785 ATOM C CB . VAL K 11 9 ? 14.344 -36.760 -4.149 1.00 56.48 ? 10 VAL L CB 1 ? ? +18786 ATOM C CG1 . VAL K 11 9 ? 14.411 -36.929 -5.657 1.00 56.03 ? 10 VAL L CG1 1 ? ? +18787 ATOM C CG2 . VAL K 11 9 ? 12.894 -36.739 -3.674 1.00 56.66 ? 10 VAL L CG2 1 ? ? +18788 ATOM C C . VAL K 11 9 ? 16.619 -37.773 -3.718 1.00 55.76 ? 10 VAL L C 1 ? ? +18789 ATOM O O . VAL K 11 9 ? 17.349 -37.071 -3.027 1.00 55.61 ? 10 VAL L O 1 ? ? +18790 ATOM N N . GLU K 11 10 ? 17.058 -38.472 -4.765 1.00 54.82 ? 11 GLU L N 1 ? ? +18791 ATOM C CA . GLU K 11 10 ? 18.451 -38.437 -5.173 1.00 54.09 ? 11 GLU L CA 1 ? ? +18792 ATOM C CB . GLU K 11 10 ? 19.173 -39.706 -4.763 1.00 54.90 ? 11 GLU L CB 1 ? ? +18793 ATOM C CG . GLU K 11 10 ? 18.702 -40.931 -5.522 1.00 55.37 ? 11 GLU L CG 1 ? ? +18794 ATOM C CD . GLU K 11 10 ? 19.668 -42.089 -5.430 1.00 55.80 ? 11 GLU L CD 1 ? ? +18795 ATOM O OE1 . GLU K 11 10 ? 19.685 -42.767 -4.376 1.00 56.27 ? 11 GLU L OE1 1 ? ? +18796 ATOM O OE2 . GLU K 11 10 ? 20.421 -42.297 -6.411 1.00 55.61 ? 11 GLU L OE2 1 ? ? +18797 ATOM C C . GLU K 11 10 ? 18.582 -38.254 -6.679 1.00 52.69 ? 11 GLU L C 1 ? ? +18798 ATOM O O . GLU K 11 10 ? 17.696 -38.646 -7.444 1.00 52.53 ? 11 GLU L O 1 ? ? +18799 ATOM N N . LEU K 11 11 ? 19.690 -37.613 -7.067 1.00 51.47 ? 12 LEU L N 1 ? ? +18800 ATOM C CA . LEU K 11 11 ? 20.175 -37.620 -8.431 1.00 50.48 ? 12 LEU L CA 1 ? ? +18801 ATOM C CB . LEU K 11 11 ? 19.745 -36.409 -9.197 1.00 50.06 ? 12 LEU L CB 1 ? ? +18802 ATOM C CG . LEU K 11 11 ? 20.028 -36.504 -10.691 1.00 50.03 ? 12 LEU L CG 1 ? ? +18803 ATOM C CD1 . LEU K 11 11 ? 18.816 -37.019 -11.456 1.00 50.00 ? 12 LEU L CD1 1 ? ? +18804 ATOM C CD2 . LEU K 11 11 ? 20.451 -35.179 -11.266 1.00 49.83 ? 12 LEU L CD2 1 ? ? +18805 ATOM C C . LEU K 11 11 ? 21.697 -37.652 -8.331 1.00 50.24 ? 12 LEU L C 1 ? ? +18806 ATOM O O . LEU K 11 11 ? 22.304 -36.693 -7.873 1.00 50.12 ? 12 LEU L O 1 ? ? +18807 ATOM N N . ASN K 11 12 ? 22.299 -38.770 -8.742 1.00 49.80 ? 13 ASN L N 1 ? ? +18808 ATOM C CA . ASN K 11 12 ? 23.740 -38.916 -8.700 1.00 49.53 ? 13 ASN L CA 1 ? ? +18809 ATOM C CB . ASN K 11 12 ? 24.137 -40.384 -8.739 1.00 49.78 ? 13 ASN L CB 1 ? ? +18810 ATOM C CG . ASN K 11 12 ? 23.703 -41.134 -9.952 1.00 49.60 ? 13 ASN L CG 1 ? ? +18811 ATOM O OD1 . ASN K 11 12 ? 23.712 -40.625 -11.087 1.00 49.24 ? 13 ASN L OD1 1 ? ? +18812 ATOM N ND2 . ASN K 11 12 ? 23.287 -42.377 -9.736 1.00 49.96 ? 13 ASN L ND2 1 ? ? +18813 ATOM C C . ASN K 11 12 ? 24.386 -38.111 -9.824 1.00 48.84 ? 13 ASN L C 1 ? ? +18814 ATOM O O . ASN K 11 12 ? 23.689 -37.582 -10.699 1.00 48.04 ? 13 ASN L O 1 ? ? +18815 ATOM N N . ARG K 11 13 ? 25.729 -38.015 -9.769 1.00 48.80 ? 14 ARG L N 1 ? ? +18816 ATOM C CA . ARG K 11 13 ? 26.484 -37.159 -10.672 1.00 48.27 ? 14 ARG L CA 1 ? ? +18817 ATOM C CB . ARG K 11 13 ? 27.922 -37.056 -10.212 1.00 49.12 ? 14 ARG L CB 1 ? ? +18818 ATOM C CG . ARG K 11 13 ? 28.726 -35.971 -10.933 1.00 49.30 ? 14 ARG L CG 1 ? ? +18819 ATOM C CD . ARG K 11 13 ? 30.194 -36.031 -10.605 1.00 50.02 ? 14 ARG L CD 1 ? ? +18820 ATOM N NE . ARG K 11 13 ? 30.444 -35.857 -9.181 1.00 50.79 ? 14 ARG L NE 1 ? ? +18821 ATOM C CZ . ARG K 11 13 ? 31.653 -35.802 -8.645 1.00 51.97 ? 14 ARG L CZ 1 ? ? +18822 ATOM N NH1 . ARG K 11 13 ? 32.743 -35.799 -9.395 1.00 52.18 ? 14 ARG L NH1 1 ? ? +18823 ATOM N NH2 . ARG K 11 13 ? 31.777 -35.710 -7.326 1.00 52.87 ? 14 ARG L NH2 1 ? ? +18824 ATOM C C . ARG K 11 13 ? 26.448 -37.639 -12.118 1.00 47.51 ? 14 ARG L C 1 ? ? +18825 ATOM O O . ARG K 11 13 ? 26.376 -36.831 -13.032 1.00 46.96 ? 14 ARG L O 1 ? ? +18826 ATOM N N A THR K 11 14 ? 26.508 -38.959 -12.314 0.40 47.61 ? 15 THR L N 1 ? ? +18827 ATOM N N B THR K 11 14 ? 26.511 -38.957 -12.315 0.60 47.63 ? 15 THR L N 1 ? ? +18828 ATOM C CA A THR K 11 14 ? 26.419 -39.535 -13.646 0.40 47.33 ? 15 THR L CA 1 ? ? +18829 ATOM C CA B THR K 11 14 ? 26.420 -39.531 -13.647 0.60 47.39 ? 15 THR L CA 1 ? ? +18830 ATOM C C A THR K 11 14 ? 25.075 -39.215 -14.298 0.40 46.79 ? 15 THR L C 1 ? ? +18831 ATOM C C B THR K 11 14 ? 25.075 -39.211 -14.299 0.60 46.82 ? 15 THR L C 1 ? ? +18832 ATOM O O A THR K 11 14 ? 25.007 -38.967 -15.499 0.40 46.40 ? 15 THR L O 1 ? ? +18833 ATOM O O B THR K 11 14 ? 25.002 -38.965 -15.501 0.60 46.39 ? 15 THR L O 1 ? ? +18834 ATOM C CB A THR K 11 14 ? 26.642 -41.040 -13.586 0.40 47.73 ? 15 THR L CB 1 ? ? +18835 ATOM C CB B THR K 11 14 ? 26.635 -41.039 -13.586 0.60 47.86 ? 15 THR L CB 1 ? ? +18836 ATOM O OG1 A THR K 11 14 ? 27.955 -41.300 -13.115 0.40 48.19 ? 15 THR L OG1 1 ? ? +18837 ATOM O OG1 B THR K 11 14 ? 27.927 -41.317 -13.076 0.60 48.36 ? 15 THR L OG1 1 ? ? +18838 ATOM C CG2 A THR K 11 14 ? 26.458 -41.701 -14.933 0.40 47.58 ? 15 THR L CG2 1 ? ? +18839 ATOM C CG2 B THR K 11 14 ? 26.498 -41.693 -14.934 0.60 47.75 ? 15 THR L CG2 1 ? ? +18840 ATOM N N . SER K 11 15 ? 24.012 -39.221 -13.485 1.00 46.76 ? 16 SER L N 1 ? ? +18841 ATOM C CA . SER K 11 15 ? 22.669 -38.905 -13.955 1.00 46.34 ? 16 SER L CA 1 ? ? +18842 ATOM C CB . SER K 11 15 ? 21.656 -39.260 -12.886 1.00 46.48 ? 16 SER L CB 1 ? ? +18843 ATOM O OG . SER K 11 15 ? 21.699 -40.649 -12.615 1.00 46.81 ? 16 SER L OG 1 ? ? +18844 ATOM C C . SER K 11 15 ? 22.545 -37.438 -14.356 1.00 45.93 ? 16 SER L C 1 ? ? +18845 ATOM O O . SER K 11 15 ? 21.925 -37.116 -15.365 1.00 45.44 ? 16 SER L O 1 ? ? +18846 ATOM N N . LEU K 11 16 ? 23.174 -36.556 -13.568 1.00 46.16 ? 17 LEU L N 1 ? ? +18847 ATOM C CA . LEU K 11 16 ? 23.254 -35.145 -13.916 1.00 45.93 ? 17 LEU L CA 1 ? ? +18848 ATOM C CB . LEU K 11 16 ? 24.028 -34.367 -12.840 1.00 46.22 ? 17 LEU L CB 1 ? ? +18849 ATOM C CG . LEU K 11 16 ? 24.292 -32.881 -13.132 1.00 45.99 ? 17 LEU L CG 1 ? ? +18850 ATOM C CD1 . LEU K 11 16 ? 23.033 -32.064 -12.934 1.00 45.77 ? 17 LEU L CD1 1 ? ? +18851 ATOM C CD2 . LEU K 11 16 ? 25.401 -32.355 -12.278 1.00 46.30 ? 17 LEU L CD2 1 ? ? +18852 ATOM C C . LEU K 11 16 ? 23.925 -34.948 -15.272 1.00 45.72 ? 17 LEU L C 1 ? ? +18853 ATOM O O . LEU K 11 16 ? 23.404 -34.235 -16.122 1.00 45.43 ? 17 LEU L O 1 ? ? +18854 ATOM N N . TYR K 11 17 ? 25.071 -35.601 -15.467 1.00 45.96 ? 18 TYR L N 1 ? ? +18855 ATOM C CA . TYR K 11 17 ? 25.816 -35.492 -16.709 1.00 45.94 ? 18 TYR L CA 1 ? ? +18856 ATOM C CB . TYR K 11 17 ? 27.161 -36.284 -16.618 1.00 46.48 ? 18 TYR L CB 1 ? ? +18857 ATOM C CG . TYR K 11 17 ? 28.217 -35.652 -15.751 1.00 46.94 ? 18 TYR L CG 1 ? ? +18858 ATOM C CD1 . TYR K 11 17 ? 28.261 -34.281 -15.559 1.00 46.98 ? 18 TYR L CD1 1 ? ? +18859 ATOM C CD2 . TYR K 11 17 ? 29.194 -36.426 -15.130 1.00 47.55 ? 18 TYR L CD2 1 ? ? +18860 ATOM C CE1 . TYR K 11 17 ? 29.261 -33.694 -14.785 1.00 47.48 ? 18 TYR L CE1 1 ? ? +18861 ATOM C CE2 . TYR K 11 17 ? 30.190 -35.846 -14.347 1.00 47.79 ? 18 TYR L CE2 1 ? ? +18862 ATOM C CZ . TYR K 11 17 ? 30.226 -34.481 -14.192 1.00 47.71 ? 18 TYR L CZ 1 ? ? +18863 ATOM O OH . TYR K 11 17 ? 31.145 -33.853 -13.422 1.00 48.26 ? 18 TYR L OH 1 ? ? +18864 ATOM C C . TYR K 11 17 ? 25.010 -36.001 -17.895 1.00 45.53 ? 18 TYR L C 1 ? ? +18865 ATOM O O . TYR K 11 17 ? 24.942 -35.344 -18.927 1.00 45.21 ? 18 TYR L O 1 ? ? +18866 ATOM N N A LEU K 11 18 ? 24.420 -37.191 -17.740 0.40 45.70 ? 19 LEU L N 1 ? ? +18867 ATOM N N B LEU K 11 18 ? 24.424 -37.190 -17.739 0.60 45.74 ? 19 LEU L N 1 ? ? +18868 ATOM C CA A LEU K 11 18 ? 23.548 -37.762 -18.755 0.40 45.54 ? 19 LEU L CA 1 ? ? +18869 ATOM C CA B LEU K 11 18 ? 23.552 -37.758 -18.757 0.60 45.62 ? 19 LEU L CA 1 ? ? +18870 ATOM C C A LEU K 11 18 ? 22.370 -36.837 -19.045 0.40 45.12 ? 19 LEU L C 1 ? ? +18871 ATOM C C B LEU K 11 18 ? 22.368 -36.839 -19.042 0.60 45.14 ? 19 LEU L C 1 ? ? +18872 ATOM O O A LEU K 11 18 ? 21.987 -36.658 -20.196 0.40 44.82 ? 19 LEU L O 1 ? ? +18873 ATOM O O B LEU K 11 18 ? 21.986 -36.657 -20.192 0.60 44.83 ? 19 LEU L O 1 ? ? +18874 ATOM C CB A LEU K 11 18 ? 23.024 -39.115 -18.294 0.40 45.89 ? 19 LEU L CB 1 ? ? +18875 ATOM C CB B LEU K 11 18 ? 23.058 -39.123 -18.306 0.60 46.05 ? 19 LEU L CB 1 ? ? +18876 ATOM C CG A LEU K 11 18 ? 24.037 -40.240 -18.311 0.40 46.32 ? 19 LEU L CG 1 ? ? +18877 ATOM C CG B LEU K 11 18 ? 24.119 -40.218 -18.361 0.60 46.58 ? 19 LEU L CG 1 ? ? +18878 ATOM C CD1 A LEU K 11 18 ? 23.520 -41.435 -17.535 0.40 46.71 ? 19 LEU L CD1 1 ? ? +18879 ATOM C CD1 B LEU K 11 18 ? 23.690 -41.437 -17.568 0.60 47.01 ? 19 LEU L CD1 1 ? ? +18880 ATOM C CD2 A LEU K 11 18 ? 24.373 -40.646 -19.737 0.40 46.23 ? 19 LEU L CD2 1 ? ? +18881 ATOM C CD2 B LEU K 11 18 ? 24.408 -40.625 -19.797 0.60 46.52 ? 19 LEU L CD2 1 ? ? +18882 ATOM N N . GLY K 11 19 ? 21.825 -36.236 -17.986 1.00 45.12 ? 20 GLY L N 1 ? ? +18883 ATOM C CA . GLY K 11 19 ? 20.692 -35.344 -18.122 1.00 45.03 ? 20 GLY L CA 1 ? ? +18884 ATOM C C . GLY K 11 19 ? 21.058 -34.084 -18.892 1.00 44.87 ? 20 GLY L C 1 ? ? +18885 ATOM O O . GLY K 11 19 ? 20.367 -33.692 -19.837 1.00 44.67 ? 20 GLY L O 1 ? ? +18886 ATOM N N . LEU K 11 20 ? 22.154 -33.449 -18.467 1.00 45.00 ? 21 LEU L N 1 ? ? +18887 ATOM C CA . LEU K 11 20 ? 22.573 -32.208 -19.091 1.00 44.77 ? 21 LEU L CA 1 ? ? +18888 ATOM C CB . LEU K 11 20 ? 23.749 -31.593 -18.338 1.00 45.02 ? 21 LEU L CB 1 ? ? +18889 ATOM C CG . LEU K 11 20 ? 23.406 -30.977 -16.981 1.00 45.14 ? 21 LEU L CG 1 ? ? +18890 ATOM C CD1 . LEU K 11 20 ? 24.601 -30.404 -16.315 1.00 45.40 ? 21 LEU L CD1 1 ? ? +18891 ATOM C CD2 . LEU K 11 20 ? 22.395 -29.896 -17.087 1.00 44.96 ? 21 LEU L CD2 1 ? ? +18892 ATOM C C . LEU K 11 20 ? 22.909 -32.454 -20.558 1.00 44.64 ? 21 LEU L C 1 ? ? +18893 ATOM O O . LEU K 11 20 ? 22.582 -31.633 -21.412 1.00 44.52 ? 21 LEU L O 1 ? ? +18894 ATOM N N . LEU K 11 21 ? 23.512 -33.608 -20.856 1.00 44.81 ? 22 LEU L N 1 ? ? +18895 ATOM C CA . LEU K 11 21 ? 23.827 -33.940 -22.236 1.00 44.71 ? 22 LEU L CA 1 ? ? +18896 ATOM C CB . LEU K 11 21 ? 24.579 -35.243 -22.300 1.00 45.18 ? 22 LEU L CB 1 ? ? +18897 ATOM C CG . LEU K 11 21 ? 25.016 -35.637 -23.708 1.00 45.35 ? 22 LEU L CG 1 ? ? +18898 ATOM C CD1 . LEU K 11 21 ? 26.060 -34.659 -24.263 1.00 45.32 ? 22 LEU L CD1 1 ? ? +18899 ATOM C CD2 . LEU K 11 21 ? 25.515 -37.042 -23.717 1.00 45.85 ? 22 LEU L CD2 1 ? ? +18900 ATOM C C . LEU K 11 21 ? 22.573 -34.045 -23.103 1.00 44.26 ? 22 LEU L C 1 ? ? +18901 ATOM O O . LEU K 11 21 ? 22.520 -33.489 -24.200 1.00 43.80 ? 22 LEU L O 1 ? ? +18902 ATOM N N . LEU K 11 22 ? 21.577 -34.773 -22.594 1.00 44.37 ? 23 LEU L N 1 ? ? +18903 ATOM C CA . LEU K 11 22 ? 20.289 -34.902 -23.265 1.00 44.32 ? 23 LEU L CA 1 ? ? +18904 ATOM C CB . LEU K 11 22 ? 19.335 -35.741 -22.417 1.00 44.57 ? 23 LEU L CB 1 ? ? +18905 ATOM C CG . LEU K 11 22 ? 17.959 -35.907 -22.997 1.00 44.52 ? 23 LEU L CG 1 ? ? +18906 ATOM C CD1 . LEU K 11 22 ? 18.008 -36.731 -24.266 1.00 44.55 ? 23 LEU L CD1 1 ? ? +18907 ATOM C CD2 . LEU K 11 22 ? 17.014 -36.538 -21.994 1.00 44.75 ? 23 LEU L CD2 1 ? ? +18908 ATOM C C . LEU K 11 22 ? 19.664 -33.540 -23.568 1.00 43.98 ? 23 LEU L C 1 ? ? +18909 ATOM O O . LEU K 11 22 ? 19.302 -33.251 -24.704 1.00 43.79 ? 23 LEU L O 1 ? ? +18910 ATOM N N . ILE K 11 23 ? 19.572 -32.683 -22.554 1.00 44.09 ? 24 ILE L N 1 ? ? +18911 ATOM C CA . ILE K 11 23 ? 18.944 -31.385 -22.731 1.00 43.93 ? 24 ILE L CA 1 ? ? +18912 ATOM C CB . ILE K 11 23 ? 18.848 -30.652 -21.382 1.00 44.33 ? 24 ILE L CB 1 ? ? +18913 ATOM C CG1 . ILE K 11 23 ? 17.902 -31.400 -20.419 1.00 44.78 ? 24 ILE L CG1 1 ? ? +18914 ATOM C CG2 . ILE K 11 23 ? 18.402 -29.206 -21.557 1.00 44.13 ? 24 ILE L CG2 1 ? ? +18915 ATOM C CD1 . ILE K 11 23 ? 18.290 -31.091 -18.908 1.00 45.10 ? 24 ILE L CD1 1 ? ? +18916 ATOM C C . ILE K 11 23 ? 19.702 -30.557 -23.760 1.00 43.50 ? 24 ILE L C 1 ? ? +18917 ATOM O O . ILE K 11 23 ? 19.112 -29.999 -24.683 1.00 43.18 ? 24 ILE L O 1 ? ? +18918 ATOM N N . LEU K 11 24 ? 21.018 -30.470 -23.573 1.00 43.34 ? 25 LEU L N 1 ? ? +18919 ATOM C CA . LEU K 11 24 ? 21.846 -29.672 -24.454 1.00 43.09 ? 25 LEU L CA 1 ? ? +18920 ATOM C CB . LEU K 11 24 ? 23.308 -29.689 -23.963 1.00 43.48 ? 25 LEU L CB 1 ? ? +18921 ATOM C CG . LEU K 11 24 ? 23.545 -28.922 -22.669 1.00 43.57 ? 25 LEU L CG 1 ? ? +18922 ATOM C CD1 . LEU K 11 24 ? 25.026 -29.031 -22.243 1.00 43.96 ? 25 LEU L CD1 1 ? ? +18923 ATOM C CD2 . LEU K 11 24 ? 23.138 -27.438 -22.817 1.00 43.31 ? 25 LEU L CD2 1 ? ? +18924 ATOM C C . LEU K 11 24 ? 21.742 -30.152 -25.893 1.00 42.76 ? 25 LEU L C 1 ? ? +18925 ATOM O O . LEU K 11 24 ? 21.562 -29.339 -26.789 1.00 42.57 ? 25 LEU L O 1 ? ? +18926 ATOM N N . VAL K 11 25 ? 21.818 -31.467 -26.106 1.00 42.79 ? 26 VAL L N 1 ? ? +18927 ATOM C CA . VAL K 11 25 ? 21.683 -32.010 -27.452 1.00 42.65 ? 26 VAL L CA 1 ? ? +18928 ATOM C CB . VAL K 11 25 ? 22.120 -33.486 -27.486 1.00 42.95 ? 26 VAL L CB 1 ? ? +18929 ATOM C CG1 . VAL K 11 25 ? 21.622 -34.194 -28.731 1.00 42.97 ? 26 VAL L CG1 1 ? ? +18930 ATOM C CG2 . VAL K 11 25 ? 23.649 -33.594 -27.385 1.00 43.16 ? 26 VAL L CG2 1 ? ? +18931 ATOM C C . VAL K 11 25 ? 20.284 -31.793 -28.045 1.00 42.26 ? 26 VAL L C 1 ? ? +18932 ATOM O O . VAL K 11 25 ? 20.166 -31.415 -29.208 1.00 41.99 ? 26 VAL L O 1 ? ? +18933 ATOM N N . LEU K 11 26 ? 19.230 -32.019 -27.254 1.00 42.15 ? 27 LEU L N 1 ? ? +18934 ATOM C CA . LEU K 11 26 ? 17.875 -31.749 -27.720 1.00 42.00 ? 27 LEU L CA 1 ? ? +18935 ATOM C CB . LEU K 11 26 ? 16.842 -32.071 -26.627 1.00 42.10 ? 27 LEU L CB 1 ? ? +18936 ATOM C CG . LEU K 11 26 ? 16.529 -33.556 -26.454 1.00 42.32 ? 27 LEU L CG 1 ? ? +18937 ATOM C CD1 . LEU K 11 26 ? 15.547 -33.790 -25.358 1.00 42.42 ? 27 LEU L CD1 1 ? ? +18938 ATOM C CD2 . LEU K 11 26 ? 16.003 -34.143 -27.745 1.00 42.30 ? 27 LEU L CD2 1 ? ? +18939 ATOM C C . LEU K 11 26 ? 17.725 -30.294 -28.149 1.00 41.77 ? 27 LEU L C 1 ? ? +18940 ATOM O O . LEU K 11 26 ? 17.141 -30.009 -29.188 1.00 41.51 ? 27 LEU L O 1 ? ? +18941 ATOM N N . ALA K 11 27 ? 18.300 -29.382 -27.356 1.00 41.90 ? 28 ALA L N 1 ? ? +18942 ATOM C CA . ALA K 11 27 ? 18.275 -27.963 -27.671 1.00 41.83 ? 28 ALA L CA 1 ? ? +18943 ATOM C CB . ALA K 11 27 ? 18.820 -27.166 -26.498 1.00 41.92 ? 28 ALA L CB 1 ? ? +18944 ATOM C C . ALA K 11 27 ? 19.061 -27.635 -28.933 1.00 41.90 ? 28 ALA L C 1 ? ? +18945 ATOM O O . ALA K 11 27 ? 18.689 -26.751 -29.699 1.00 41.70 ? 28 ALA L O 1 ? ? +18946 ATOM N N . LEU K 11 28 ? 20.179 -28.338 -29.139 1.00 42.29 ? 29 LEU L N 1 ? ? +18947 ATOM C CA . LEU K 11 28 ? 20.982 -28.116 -30.329 1.00 42.43 ? 29 LEU L CA 1 ? ? +18948 ATOM C CB . LEU K 11 28 ? 22.318 -28.836 -30.204 1.00 42.74 ? 29 LEU L CB 1 ? ? +18949 ATOM C CG . LEU K 11 28 ? 23.362 -28.475 -31.214 1.00 43.05 ? 29 LEU L CG 1 ? ? +18950 ATOM C CD1 . LEU K 11 28 ? 23.730 -27.013 -31.156 1.00 43.09 ? 29 LEU L CD1 1 ? ? +18951 ATOM C CD2 . LEU K 11 28 ? 24.658 -29.288 -30.995 1.00 43.46 ? 29 LEU L CD2 1 ? ? +18952 ATOM C C . LEU K 11 28 ? 20.185 -28.605 -31.532 1.00 42.29 ? 29 LEU L C 1 ? ? +18953 ATOM O O . LEU K 11 28 ? 20.239 -28.013 -32.607 1.00 42.35 ? 29 LEU L O 1 ? ? +18954 ATOM N N . LEU K 11 29 ? 19.420 -29.680 -31.337 1.00 42.33 ? 30 LEU L N 1 ? ? +18955 ATOM C CA . LEU K 11 29 ? 18.642 -30.238 -32.425 1.00 42.34 ? 30 LEU L CA 1 ? ? +18956 ATOM C CB . LEU K 11 29 ? 18.182 -31.646 -32.095 1.00 42.51 ? 30 LEU L CB 1 ? ? +18957 ATOM C CG . LEU K 11 29 ? 17.192 -32.256 -33.087 1.00 42.49 ? 30 LEU L CG 1 ? ? +18958 ATOM C CD1 . LEU K 11 29 ? 17.849 -32.433 -34.443 1.00 42.55 ? 30 LEU L CD1 1 ? ? +18959 ATOM C CD2 . LEU K 11 29 ? 16.627 -33.548 -32.561 1.00 42.53 ? 30 LEU L CD2 1 ? ? +18960 ATOM C C . LEU K 11 29 ? 17.438 -29.374 -32.775 1.00 42.15 ? 30 LEU L C 1 ? ? +18961 ATOM O O . LEU K 11 29 ? 17.186 -29.155 -33.950 1.00 42.24 ? 30 LEU L O 1 ? ? +18962 ATOM N N . PHE K 11 30 ? 16.709 -28.884 -31.768 1.00 42.09 ? 31 PHE L N 1 ? ? +18963 ATOM C CA . PHE K 11 30 ? 15.433 -28.223 -32.016 1.00 41.97 ? 31 PHE L CA 1 ? ? +18964 ATOM C CB . PHE K 11 30 ? 14.437 -28.487 -30.866 1.00 41.95 ? 31 PHE L CB 1 ? ? +18965 ATOM C CG . PHE K 11 30 ? 13.669 -29.760 -31.046 1.00 42.00 ? 31 PHE L CG 1 ? ? +18966 ATOM C CD1 . PHE K 11 30 ? 12.561 -29.809 -31.875 1.00 42.02 ? 31 PHE L CD1 1 ? ? +18967 ATOM C CD2 . PHE K 11 30 ? 14.063 -30.917 -30.419 1.00 42.11 ? 31 PHE L CD2 1 ? ? +18968 ATOM C CE1 . PHE K 11 30 ? 11.865 -30.996 -32.060 1.00 42.10 ? 31 PHE L CE1 1 ? ? +18969 ATOM C CE2 . PHE K 11 30 ? 13.364 -32.101 -30.611 1.00 42.28 ? 31 PHE L CE2 1 ? ? +18970 ATOM C CZ . PHE K 11 30 ? 12.279 -32.135 -31.431 1.00 42.24 ? 31 PHE L CZ 1 ? ? +18971 ATOM C C . PHE K 11 30 ? 15.560 -26.722 -32.239 1.00 41.94 ? 31 PHE L C 1 ? ? +18972 ATOM O O . PHE K 11 30 ? 14.639 -26.110 -32.796 1.00 42.07 ? 31 PHE L O 1 ? ? +18973 ATOM N N . SER K 11 31 ? 16.680 -26.135 -31.803 1.00 41.85 ? 32 SER L N 1 ? ? +18974 ATOM C CA . SER K 11 31 ? 16.870 -24.698 -31.878 1.00 41.86 ? 32 SER L CA 1 ? ? +18975 ATOM C CB . SER K 11 31 ? 18.272 -24.283 -31.416 1.00 42.06 ? 32 SER L CB 1 ? ? +18976 ATOM O OG . SER K 11 31 ? 19.302 -24.940 -32.147 1.00 42.17 ? 32 SER L OG 1 ? ? +18977 ATOM C C . SER K 11 31 ? 16.635 -24.156 -33.279 1.00 41.95 ? 32 SER L C 1 ? ? +18978 ATOM O O . SER K 11 31 ? 15.980 -23.122 -33.429 1.00 42.12 ? 32 SER L O 1 ? ? +18979 ATOM N N . SER K 11 32 ? 17.159 -24.852 -34.294 1.00 42.03 ? 33 SER L N 1 ? ? +18980 ATOM C CA . SER K 11 32 ? 17.021 -24.411 -35.670 1.00 42.13 ? 33 SER L CA 1 ? ? +18981 ATOM C CB . SER K 11 32 ? 17.754 -25.348 -36.615 1.00 42.30 ? 33 SER L CB 1 ? ? +18982 ATOM O OG . SER K 11 32 ? 19.116 -25.576 -36.270 1.00 42.62 ? 33 SER L OG 1 ? ? +18983 ATOM C C . SER K 11 32 ? 15.544 -24.309 -36.081 1.00 42.23 ? 33 SER L C 1 ? ? +18984 ATOM O O . SER K 11 32 ? 15.162 -23.413 -36.833 1.00 42.16 ? 33 SER L O 1 ? ? +18985 ATOM N N . TYR K 11 33 ? 14.714 -25.229 -35.578 1.00 42.40 ? 34 TYR L N 1 ? ? +18986 ATOM C CA . TYR K 11 33 ? 13.303 -25.254 -35.930 1.00 42.60 ? 34 TYR L CA 1 ? ? +18987 ATOM C CB . TYR K 11 33 ? 12.699 -26.653 -35.643 1.00 42.62 ? 34 TYR L CB 1 ? ? +18988 ATOM C CG . TYR K 11 33 ? 13.428 -27.715 -36.442 1.00 42.66 ? 34 TYR L CG 1 ? ? +18989 ATOM C CD1 . TYR K 11 33 ? 13.062 -27.999 -37.746 1.00 42.67 ? 34 TYR L CD1 1 ? ? +18990 ATOM C CD2 . TYR K 11 33 ? 14.569 -28.349 -35.932 1.00 42.70 ? 34 TYR L CD2 1 ? ? +18991 ATOM C CE1 . TYR K 11 33 ? 13.752 -28.942 -38.503 1.00 42.82 ? 34 TYR L CE1 1 ? ? +18992 ATOM C CE2 . TYR K 11 33 ? 15.265 -29.293 -36.676 1.00 42.74 ? 34 TYR L CE2 1 ? ? +18993 ATOM C CZ . TYR K 11 33 ? 14.864 -29.578 -37.967 1.00 42.84 ? 34 TYR L CZ 1 ? ? +18994 ATOM O OH . TYR K 11 33 ? 15.529 -30.500 -38.726 1.00 42.89 ? 34 TYR L OH 1 ? ? +18995 ATOM C C . TYR K 11 33 ? 12.565 -24.131 -35.213 1.00 42.73 ? 34 TYR L C 1 ? ? +18996 ATOM O O . TYR K 11 33 ? 11.671 -23.556 -35.791 1.00 42.94 ? 34 TYR L O 1 ? ? +18997 ATOM N N . PHE K 11 34 ? 12.987 -23.779 -33.991 1.00 42.98 ? 35 PHE L N 1 ? ? +18998 ATOM C CA . PHE K 11 34 ? 12.400 -22.668 -33.259 1.00 43.09 ? 35 PHE L CA 1 ? ? +18999 ATOM C CB . PHE K 11 34 ? 12.918 -22.656 -31.818 1.00 43.20 ? 35 PHE L CB 1 ? ? +19000 ATOM C CG . PHE K 11 34 ? 12.580 -23.858 -30.973 1.00 43.32 ? 35 PHE L CG 1 ? ? +19001 ATOM C CD1 . PHE K 11 34 ? 11.589 -24.747 -31.359 1.00 43.48 ? 35 PHE L CD1 1 ? ? +19002 ATOM C CD2 . PHE K 11 34 ? 13.242 -24.095 -29.792 1.00 43.30 ? 35 PHE L CD2 1 ? ? +19003 ATOM C CE1 . PHE K 11 34 ? 11.278 -25.853 -30.566 1.00 43.58 ? 35 PHE L CE1 1 ? ? +19004 ATOM C CE2 . PHE K 11 34 ? 12.935 -25.207 -29.014 1.00 43.43 ? 35 PHE L CE2 1 ? ? +19005 ATOM C CZ . PHE K 11 34 ? 11.962 -26.076 -29.403 1.00 43.55 ? 35 PHE L CZ 1 ? ? +19006 ATOM C C . PHE K 11 34 ? 12.665 -21.312 -33.910 1.00 43.35 ? 35 PHE L C 1 ? ? +19007 ATOM O O . PHE K 11 34 ? 11.781 -20.461 -33.944 1.00 43.25 ? 35 PHE L O 1 ? ? +19008 ATOM N N . PHE K 11 35 ? 13.901 -21.092 -34.390 1.00 43.67 ? 36 PHE L N 1 ? ? +19009 ATOM C CA . PHE K 11 35 ? 14.228 -19.894 -35.148 1.00 43.74 ? 36 PHE L CA 1 ? ? +19010 ATOM C CB . PHE K 11 35 ? 15.762 -19.724 -35.289 1.00 44.05 ? 36 PHE L CB 1 ? ? +19011 ATOM C CG . PHE K 11 35 ? 16.452 -19.268 -34.029 1.00 44.30 ? 36 PHE L CG 1 ? ? +19012 ATOM C CD1 . PHE K 11 35 ? 16.206 -18.013 -33.505 1.00 44.35 ? 36 PHE L CD1 1 ? ? +19013 ATOM C CD2 . PHE K 11 35 ? 17.353 -20.093 -33.372 1.00 44.48 ? 36 PHE L CD2 1 ? ? +19014 ATOM C CE1 . PHE K 11 35 ? 16.845 -17.587 -32.355 1.00 44.53 ? 36 PHE L CE1 1 ? ? +19015 ATOM C CE2 . PHE K 11 35 ? 17.978 -19.671 -32.208 1.00 44.63 ? 36 PHE L CE2 1 ? ? +19016 ATOM C CZ . PHE K 11 35 ? 17.728 -18.416 -31.708 1.00 44.66 ? 36 PHE L CZ 1 ? ? +19017 ATOM C C . PHE K 11 35 ? 13.604 -19.916 -36.540 1.00 43.58 ? 36 PHE L C 1 ? ? +19018 ATOM O O . PHE K 11 35 ? 13.335 -18.871 -37.118 1.00 43.73 ? 36 PHE L O 1 ? ? +19019 ATOM N N . ASN K 11 36 ? 13.447 -21.114 -37.099 1.00 43.46 ? 37 ASN L N 1 ? ? +19020 ATOM C CA . ASN K 11 36 ? 12.845 -21.281 -38.407 1.00 43.54 ? 37 ASN L CA 1 ? ? +19021 ATOM C CB . ASN K 11 36 ? 11.334 -21.090 -38.259 1.00 43.58 ? 37 ASN L CB 1 ? ? +19022 ATOM C CG . ASN K 11 36 ? 10.584 -21.776 -39.324 1.00 43.75 ? 37 ASN L CG 1 ? ? +19023 ATOM O OD1 . ASN K 11 36 ? 11.156 -22.325 -40.237 1.00 43.90 ? 37 ASN L OD1 1 ? ? +19024 ATOM N ND2 . ASN K 11 36 ? 9.289 -21.756 -39.242 1.00 44.12 ? 37 ASN L ND2 1 ? ? +19025 ATOM C C . ASN K 11 36 ? 13.472 -20.340 -39.470 1.00 43.61 ? 37 ASN L C 1 ? ? +19026 ATOM O O . ASN K 11 36 ? 12.790 -19.655 -40.223 1.00 43.63 ? 37 ASN L O 1 ? ? +19027 ATOM O OXT . ASN K 11 36 ? 14.691 -20.268 -39.572 1.00 44.08 ? 37 ASN L OXT 1 ? ? +19028 HETATM N N . FME L 12 1 ? 19.075 -12.624 -41.225 1.00 65.72 ? 1 FME M N 1 ? ? +19029 HETATM C CN . FME L 12 1 ? 19.380 -11.562 -41.960 1.00 69.68 ? 1 FME M CN 1 ? ? +19030 HETATM O O1 . FME L 12 1 ? 18.872 -11.282 -43.048 1.00 73.57 ? 1 FME M O1 1 ? ? +19031 HETATM C CA . FME L 12 1 ? 18.057 -13.572 -41.636 1.00 62.27 ? 1 FME M CA 1 ? ? +19032 HETATM C CB . FME L 12 1 ? 18.541 -15.007 -41.401 1.00 60.91 ? 1 FME M CB 1 ? ? +19033 HETATM C CG . FME L 12 1 ? 19.865 -15.286 -42.068 1.00 59.91 ? 1 FME M CG 1 ? ? +19034 HETATM S SD . FME L 12 1 ? 19.742 -15.395 -43.861 1.00 59.58 ? 1 FME M SD 1 ? ? +19035 HETATM C CE . FME L 12 1 ? 19.032 -17.033 -44.025 1.00 59.76 ? 1 FME M CE 1 ? ? +19036 HETATM C C . FME L 12 1 ? 16.741 -13.297 -40.893 1.00 59.86 ? 1 FME M C 1 ? ? +19037 HETATM O O . FME L 12 1 ? 16.853 -12.892 -39.731 1.00 57.33 ? 1 FME M O 1 ? ? +19038 ATOM N N . GLU L 12 2 ? 15.632 -13.337 -41.602 1.00 60.44 ? 2 GLU M N 1 ? ? +19039 ATOM C CA . GLU L 12 2 ? 14.431 -13.075 -40.811 1.00 62.51 ? 2 GLU M CA 1 ? ? +19040 ATOM C CB . GLU L 12 2 ? 13.314 -12.551 -41.711 1.00 66.04 ? 2 GLU M CB 1 ? ? +19041 ATOM C CG . GLU L 12 2 ? 13.592 -11.148 -42.220 1.00 71.07 ? 2 GLU M CG 1 ? ? +19042 ATOM C CD . GLU L 12 2 ? 12.427 -10.531 -42.968 1.00 77.36 ? 2 GLU M CD 1 ? ? +19043 ATOM O OE1 . GLU L 12 2 ? 11.274 -10.642 -42.479 1.00 80.06 ? 2 GLU M OE1 1 ? ? +19044 ATOM O OE2 . GLU L 12 2 ? 12.667 -9.931 -44.042 1.00 83.30 ? 2 GLU M OE2 1 ? ? +19045 ATOM C C . GLU L 12 2 ? 13.937 -14.303 -40.056 1.00 60.25 ? 2 GLU M C 1 ? ? +19046 ATOM O O . GLU L 12 2 ? 12.970 -14.931 -40.471 1.00 60.41 ? 2 GLU M O 1 ? ? +19047 ATOM N N . VAL L 12 3 ? 14.593 -14.615 -38.934 1.00 58.27 ? 3 VAL M N 1 ? ? +19048 ATOM C CA . VAL L 12 3 ? 14.164 -15.702 -38.076 1.00 57.24 ? 3 VAL M CA 1 ? ? +19049 ATOM C CB . VAL L 12 3 ? 15.294 -16.213 -37.188 1.00 57.01 ? 3 VAL M CB 1 ? ? +19050 ATOM C CG1 . VAL L 12 3 ? 16.484 -16.685 -38.013 1.00 57.76 ? 3 VAL M CG1 1 ? ? +19051 ATOM C CG2 . VAL L 12 3 ? 15.701 -15.156 -36.174 1.00 56.94 ? 3 VAL M CG2 1 ? ? +19052 ATOM C C . VAL L 12 3 ? 13.007 -15.263 -37.188 1.00 56.81 ? 3 VAL M C 1 ? ? +19053 ATOM O O . VAL L 12 3 ? 12.703 -14.081 -37.076 1.00 55.61 ? 3 VAL M O 1 ? ? +19054 ATOM N N . ASN L 12 4 ? 12.399 -16.246 -36.529 1.00 57.73 ? 4 ASN M N 1 ? ? +19055 ATOM C CA . ASN L 12 4 ? 11.400 -15.997 -35.511 1.00 58.75 ? 4 ASN M CA 1 ? ? +19056 ATOM C CB . ASN L 12 4 ? 10.554 -17.241 -35.353 1.00 58.49 ? 4 ASN M CB 1 ? ? +19057 ATOM C CG . ASN L 12 4 ? 9.602 -17.160 -34.216 1.00 59.48 ? 4 ASN M CG 1 ? ? +19058 ATOM O OD1 . ASN L 12 4 ? 9.345 -16.090 -33.679 1.00 60.69 ? 4 ASN M OD1 1 ? ? +19059 ATOM N ND2 . ASN L 12 4 ? 9.072 -18.295 -33.814 1.00 60.25 ? 4 ASN M ND2 1 ? ? +19060 ATOM C C . ASN L 12 4 ? 12.121 -15.588 -34.226 1.00 59.92 ? 4 ASN M C 1 ? ? +19061 ATOM O O . ASN L 12 4 ? 12.994 -16.303 -33.739 1.00 60.09 ? 4 ASN M O 1 ? ? +19062 ATOM N N . GLN L 12 5 ? 11.744 -14.433 -33.666 1.00 62.52 ? 5 GLN M N 1 ? ? +19063 ATOM C CA . GLN L 12 5 ? 12.499 -13.878 -32.551 1.00 65.03 ? 5 GLN M CA 1 ? ? +19064 ATOM C CB . GLN L 12 5 ? 12.419 -12.337 -32.529 1.00 72.39 ? 5 GLN M CB 1 ? ? +19065 ATOM C CG . GLN L 12 5 ? 13.251 -11.712 -33.663 1.00 78.28 ? 5 GLN M CG 1 ? ? +19066 ATOM C CD . GLN L 12 5 ? 13.915 -10.438 -33.220 1.00 86.38 ? 5 GLN M CD 1 ? ? +19067 ATOM O OE1 . GLN L 12 5 ? 14.794 -10.459 -32.357 1.00 92.82 ? 5 GLN M OE1 1 ? ? +19068 ATOM N NE2 . GLN L 12 5 ? 13.523 -9.307 -33.787 1.00 91.18 ? 5 GLN M NE2 1 ? ? +19069 ATOM C C . GLN L 12 5 ? 12.134 -14.493 -31.199 1.00 60.61 ? 5 GLN M C 1 ? ? +19070 ATOM O O . GLN L 12 5 ? 12.935 -14.415 -30.261 1.00 61.81 ? 5 GLN M O 1 ? ? +19071 ATOM N N . LEU L 12 6 ? 10.974 -15.155 -31.103 1.00 54.87 ? 6 LEU M N 1 ? ? +19072 ATOM C CA . LEU L 12 6 ? 10.682 -15.972 -29.935 1.00 52.57 ? 6 LEU M CA 1 ? ? +19073 ATOM C CB . LEU L 12 6 ? 9.209 -16.388 -29.921 1.00 52.84 ? 6 LEU M CB 1 ? ? +19074 ATOM C CG . LEU L 12 6 ? 8.208 -15.257 -29.690 1.00 53.14 ? 6 LEU M CG 1 ? ? +19075 ATOM C CD1 . LEU L 12 6 ? 6.824 -15.761 -29.758 1.00 53.24 ? 6 LEU M CD1 1 ? ? +19076 ATOM C CD2 . LEU L 12 6 ? 8.454 -14.586 -28.367 1.00 53.29 ? 6 LEU M CD2 1 ? ? +19077 ATOM C C . LEU L 12 6 ? 11.550 -17.227 -29.862 1.00 50.52 ? 6 LEU M C 1 ? ? +19078 ATOM O O . LEU L 12 6 ? 11.602 -17.888 -28.830 1.00 50.26 ? 6 LEU M O 1 ? ? +19079 ATOM N N . GLY L 12 7 ? 12.217 -17.568 -30.966 1.00 49.42 ? 7 GLY M N 1 ? ? +19080 ATOM C CA . GLY L 12 7 ? 13.188 -18.651 -30.985 1.00 48.68 ? 7 GLY M CA 1 ? ? +19081 ATOM C C . GLY L 12 7 ? 14.276 -18.546 -29.917 1.00 47.82 ? 7 GLY M C 1 ? ? +19082 ATOM O O . GLY L 12 7 ? 14.694 -19.553 -29.345 1.00 47.40 ? 7 GLY M O 1 ? ? +19083 ATOM N N . LEU L 12 8 ? 14.699 -17.316 -29.624 1.00 47.16 ? 8 LEU M N 1 ? ? +19084 ATOM C CA . LEU L 12 8 ? 15.710 -17.105 -28.603 1.00 47.07 ? 8 LEU M CA 1 ? ? +19085 ATOM C CB . LEU L 12 8 ? 16.179 -15.659 -28.614 1.00 47.14 ? 8 LEU M CB 1 ? ? +19086 ATOM C CG . LEU L 12 8 ? 17.279 -15.335 -27.636 1.00 47.49 ? 8 LEU M CG 1 ? ? +19087 ATOM C CD1 . LEU L 12 8 ? 18.501 -16.181 -27.885 1.00 47.83 ? 8 LEU M CD1 1 ? ? +19088 ATOM C CD2 . LEU L 12 8 ? 17.671 -13.889 -27.733 1.00 47.64 ? 8 LEU M CD2 1 ? ? +19089 ATOM C C . LEU L 12 8 ? 15.219 -17.476 -27.207 1.00 46.96 ? 8 LEU M C 1 ? ? +19090 ATOM O O . LEU L 12 8 ? 15.859 -18.259 -26.511 1.00 47.35 ? 8 LEU M O 1 ? ? +19091 ATOM N N . ILE L 12 9 ? 14.074 -16.919 -26.790 1.00 46.66 ? 9 ILE M N 1 ? ? +19092 ATOM C CA . ILE L 12 9 ? 13.588 -17.201 -25.451 1.00 46.10 ? 9 ILE M CA 1 ? ? +19093 ATOM C CB . ILE L 12 9 ? 12.499 -16.226 -24.980 1.00 46.59 ? 9 ILE M CB 1 ? ? +19094 ATOM C CG1 . ILE L 12 9 ? 12.276 -16.467 -23.474 1.00 47.17 ? 9 ILE M CG1 1 ? ? +19095 ATOM C CG2 . ILE L 12 9 ? 11.213 -16.328 -25.807 1.00 46.55 ? 9 ILE M CG2 1 ? ? +19096 ATOM C CD1 . ILE L 12 9 ? 11.621 -15.410 -22.798 1.00 47.61 ? 9 ILE M CD1 1 ? ? +19097 ATOM C C . ILE L 12 9 ? 13.142 -18.656 -25.339 1.00 45.29 ? 9 ILE M C 1 ? ? +19098 ATOM O O . ILE L 12 9 ? 13.379 -19.290 -24.311 1.00 45.40 ? 9 ILE M O 1 ? ? +19099 ATOM N N . ALA L 12 10 ? 12.526 -19.189 -26.406 1.00 44.34 ? 10 ALA M N 1 ? ? +19100 ATOM C CA . ALA L 12 10 ? 12.129 -20.589 -26.434 1.00 43.62 ? 10 ALA M CA 1 ? ? +19101 ATOM C CB . ALA L 12 10 ? 11.465 -20.916 -27.750 1.00 43.42 ? 10 ALA M CB 1 ? ? +19102 ATOM C C . ALA L 12 10 ? 13.325 -21.518 -26.204 1.00 43.18 ? 10 ALA M C 1 ? ? +19103 ATOM O O . ALA L 12 10 ? 13.259 -22.410 -25.365 1.00 43.01 ? 10 ALA M O 1 ? ? +19104 ATOM N N . THR L 12 11 ? 14.414 -21.310 -26.965 1.00 42.79 ? 11 THR M N 1 ? ? +19105 ATOM C CA . THR L 12 11 ? 15.625 -22.102 -26.795 1.00 42.74 ? 11 THR M CA 1 ? ? +19106 ATOM C CB . THR L 12 11 ? 16.652 -21.757 -27.879 1.00 42.74 ? 11 THR M CB 1 ? ? +19107 ATOM O OG1 . THR L 12 11 ? 16.092 -22.032 -29.175 1.00 42.48 ? 11 THR M OG1 1 ? ? +19108 ATOM C CG2 . THR L 12 11 ? 17.969 -22.529 -27.723 1.00 42.90 ? 11 THR M CG2 1 ? ? +19109 ATOM C C . THR L 12 11 ? 16.195 -21.934 -25.387 1.00 42.68 ? 11 THR M C 1 ? ? +19110 ATOM O O . THR L 12 11 ? 16.554 -22.912 -24.745 1.00 42.74 ? 11 THR M O 1 ? ? +19111 ATOM N N . ALA L 12 12 ? 16.221 -20.697 -24.888 1.00 42.74 ? 12 ALA M N 1 ? ? +19112 ATOM C CA . ALA L 12 12 ? 16.827 -20.399 -23.601 1.00 43.07 ? 12 ALA M CA 1 ? ? +19113 ATOM C CB . ALA L 12 12 ? 16.812 -18.899 -23.356 1.00 43.12 ? 12 ALA M CB 1 ? ? +19114 ATOM C C . ALA L 12 12 ? 16.148 -21.112 -22.441 1.00 43.41 ? 12 ALA M C 1 ? ? +19115 ATOM O O . ALA L 12 12 ? 16.807 -21.721 -21.602 1.00 43.32 ? 12 ALA M O 1 ? ? +19116 ATOM N N . LEU L 12 13 ? 14.812 -21.010 -22.391 1.00 43.87 ? 13 LEU M N 1 ? ? +19117 ATOM C CA . LEU L 12 13 ? 14.046 -21.656 -21.342 1.00 44.26 ? 13 LEU M CA 1 ? ? +19118 ATOM C CB . LEU L 12 13 ? 12.620 -21.124 -21.371 1.00 44.55 ? 13 LEU M CB 1 ? ? +19119 ATOM C CG . LEU L 12 13 ? 12.483 -19.632 -21.025 1.00 44.68 ? 13 LEU M CG 1 ? ? +19120 ATOM C CD1 . LEU L 12 13 ? 11.031 -19.217 -20.969 1.00 44.63 ? 13 LEU M CD1 1 ? ? +19121 ATOM C CD2 . LEU L 12 13 ? 13.160 -19.289 -19.702 1.00 44.97 ? 13 LEU M CD2 1 ? ? +19122 ATOM C C . LEU L 12 13 ? 14.081 -23.175 -21.484 1.00 44.58 ? 13 LEU M C 1 ? ? +19123 ATOM O O . LEU L 12 13 ? 14.194 -23.881 -20.485 1.00 44.83 ? 13 LEU M O 1 ? ? +19124 ATOM N N . PHE L 12 14 ? 14.027 -23.670 -22.725 1.00 44.87 ? 14 PHE M N 1 ? ? +19125 ATOM C CA . PHE L 12 14 ? 14.178 -25.091 -22.997 1.00 45.55 ? 14 PHE M CA 1 ? ? +19126 ATOM C CB . PHE L 12 14 ? 14.098 -25.347 -24.505 1.00 46.19 ? 14 PHE M CB 1 ? ? +19127 ATOM C CG . PHE L 12 14 ? 13.998 -26.800 -24.921 1.00 47.49 ? 14 PHE M CG 1 ? ? +19128 ATOM C CD2 . PHE L 12 14 ? 12.778 -27.375 -25.171 1.00 48.64 ? 14 PHE M CD2 1 ? ? +19129 ATOM C CD1 . PHE L 12 14 ? 15.131 -27.561 -25.138 1.00 48.50 ? 14 PHE M CD1 1 ? ? +19130 ATOM C CE2 . PHE L 12 14 ? 12.676 -28.702 -25.576 1.00 49.24 ? 14 PHE M CE2 1 ? ? +19131 ATOM C CE1 . PHE L 12 14 ? 15.024 -28.887 -25.545 1.00 49.15 ? 14 PHE M CE1 1 ? ? +19132 ATOM C CZ . PHE L 12 14 ? 13.792 -29.448 -25.763 1.00 48.95 ? 14 PHE M CZ 1 ? ? +19133 ATOM C C . PHE L 12 14 ? 15.486 -25.645 -22.417 1.00 45.62 ? 14 PHE M C 1 ? ? +19134 ATOM O O . PHE L 12 14 ? 15.504 -26.730 -21.843 1.00 45.86 ? 14 PHE M O 1 ? ? +19135 ATOM N N . VAL L 12 15 ? 16.588 -24.907 -22.544 1.00 45.18 ? 15 VAL M N 1 ? ? +19136 ATOM C CA . VAL L 12 15 ? 17.798 -25.312 -21.852 1.00 45.61 ? 15 VAL M CA 1 ? ? +19137 ATOM C CB . VAL L 12 15 ? 19.068 -24.582 -22.372 1.00 45.48 ? 15 VAL M CB 1 ? ? +19138 ATOM C CG1 . VAL L 12 15 ? 20.255 -24.854 -21.455 1.00 45.82 ? 15 VAL M CG1 1 ? ? +19139 ATOM C CG2 . VAL L 12 15 ? 19.382 -24.962 -23.808 1.00 45.28 ? 15 VAL M CG2 1 ? ? +19140 ATOM C C . VAL L 12 15 ? 17.680 -25.126 -20.338 1.00 45.89 ? 15 VAL M C 1 ? ? +19141 ATOM O O . VAL L 12 15 ? 17.874 -26.075 -19.579 1.00 46.23 ? 15 VAL M O 1 ? ? +19142 ATOM N N A LEU L 12 16 ? 17.361 -23.900 -19.911 0.50 45.96 ? 16 LEU M N 1 ? ? +19143 ATOM N N B LEU L 12 16 ? 17.373 -23.891 -19.917 0.50 45.88 ? 16 LEU M N 1 ? ? +19144 ATOM C CA A LEU L 12 16 ? 17.510 -23.517 -18.517 0.50 46.24 ? 16 LEU M CA 1 ? ? +19145 ATOM C CA B LEU L 12 16 ? 17.458 -23.464 -18.527 0.50 46.09 ? 16 LEU M CA 1 ? ? +19146 ATOM C C A LEU L 12 16 ? 16.582 -24.236 -17.541 0.50 46.18 ? 16 LEU M C 1 ? ? +19147 ATOM C C B LEU L 12 16 ? 16.582 -24.239 -17.549 0.50 46.10 ? 16 LEU M C 1 ? ? +19148 ATOM O O A LEU L 12 16 ? 17.046 -24.690 -16.502 0.50 46.34 ? 16 LEU M O 1 ? ? +19149 ATOM O O B LEU L 12 16 ? 17.058 -24.690 -16.513 0.50 46.27 ? 16 LEU M O 1 ? ? +19150 ATOM C CB A LEU L 12 16 ? 17.347 -22.002 -18.393 0.50 46.53 ? 16 LEU M CB 1 ? ? +19151 ATOM C CB B LEU L 12 16 ? 17.024 -21.989 -18.457 0.50 46.23 ? 16 LEU M CB 1 ? ? +19152 ATOM C CG A LEU L 12 16 ? 18.651 -21.244 -18.120 0.50 47.17 ? 16 LEU M CG 1 ? ? +19153 ATOM C CG B LEU L 12 16 ? 18.066 -20.934 -18.165 0.50 46.65 ? 16 LEU M CG 1 ? ? +19154 ATOM C CD1 A LEU L 12 16 ? 19.095 -21.427 -16.660 0.50 47.60 ? 16 LEU M CD1 1 ? ? +19155 ATOM C CD1 B LEU L 12 16 ? 18.156 -20.706 -16.656 0.50 46.97 ? 16 LEU M CD1 1 ? ? +19156 ATOM C CD2 A LEU L 12 16 ? 19.817 -21.701 -19.049 0.50 47.30 ? 16 LEU M CD2 1 ? ? +19157 ATOM C CD2 B LEU L 12 16 ? 19.461 -21.311 -18.775 0.50 46.90 ? 16 LEU M CD2 1 ? ? +19158 ATOM N N . VAL L 12 17 ? 15.286 -24.360 -17.867 1.00 45.92 ? 17 VAL M N 1 ? ? +19159 ATOM C CA . VAL L 12 17 ? 14.338 -24.922 -16.922 1.00 45.96 ? 17 VAL M CA 1 ? ? +19160 ATOM C CB . VAL L 12 17 ? 12.869 -24.798 -17.401 1.00 46.34 ? 17 VAL M CB 1 ? ? +19161 ATOM C CG1 . VAL L 12 17 ? 11.920 -25.685 -16.584 1.00 46.47 ? 17 VAL M CG1 1 ? ? +19162 ATOM C CG2 . VAL L 12 17 ? 12.430 -23.345 -17.359 1.00 46.45 ? 17 VAL M CG2 1 ? ? +19163 ATOM C C . VAL L 12 17 ? 14.714 -26.353 -16.547 1.00 45.97 ? 17 VAL M C 1 ? ? +19164 ATOM O O . VAL L 12 17 ? 14.905 -26.639 -15.367 1.00 46.51 ? 17 VAL M O 1 ? ? +19165 ATOM N N . PRO L 12 18 ? 14.839 -27.308 -17.497 1.00 45.70 ? 18 PRO M N 1 ? ? +19166 ATOM C CA . PRO L 12 18 ? 15.233 -28.669 -17.126 1.00 45.81 ? 18 PRO M CA 1 ? ? +19167 ATOM C CB . PRO L 12 18 ? 15.028 -29.471 -18.406 1.00 45.75 ? 18 PRO M CB 1 ? ? +19168 ATOM C CG . PRO L 12 18 ? 14.910 -28.481 -19.495 1.00 45.57 ? 18 PRO M CG 1 ? ? +19169 ATOM C CD . PRO L 12 18 ? 14.594 -27.142 -18.940 1.00 45.42 ? 18 PRO M CD 1 ? ? +19170 ATOM C C . PRO L 12 18 ? 16.655 -28.774 -16.570 1.00 45.88 ? 18 PRO M C 1 ? ? +19171 ATOM O O . PRO L 12 18 ? 16.895 -29.571 -15.674 1.00 46.24 ? 18 PRO M O 1 ? ? +19172 ATOM N N . SER L 12 19 ? 17.603 -27.983 -17.074 1.00 45.77 ? 19 SER M N 1 ? ? +19173 ATOM C CA . SER L 12 19 ? 18.970 -28.066 -16.544 1.00 46.19 ? 19 SER M CA 1 ? ? +19174 ATOM C CB . SER L 12 19 ? 19.936 -27.128 -17.257 1.00 45.53 ? 19 SER M CB 1 ? ? +19175 ATOM O OG . SER L 12 19 ? 20.055 -27.473 -18.619 1.00 45.03 ? 19 SER M OG 1 ? ? +19176 ATOM C C . SER L 12 19 ? 19.001 -27.730 -15.058 1.00 47.01 ? 19 SER M C 1 ? ? +19177 ATOM O O . SER L 12 19 ? 19.610 -28.428 -14.255 1.00 47.50 ? 19 SER M O 1 ? ? +19178 ATOM N N . VAL L 12 20 ? 18.315 -26.643 -14.712 1.00 47.78 ? 20 VAL M N 1 ? ? +19179 ATOM C CA . VAL L 12 20 ? 18.223 -26.184 -13.337 1.00 48.45 ? 20 VAL M CA 1 ? ? +19180 ATOM C CB . VAL L 12 20 ? 17.502 -24.825 -13.348 1.00 48.96 ? 20 VAL M CB 1 ? ? +19181 ATOM C CG1 . VAL L 12 20 ? 16.828 -24.521 -12.019 1.00 49.75 ? 20 VAL M CG1 1 ? ? +19182 ATOM C CG2 . VAL L 12 20 ? 18.490 -23.730 -13.763 1.00 48.95 ? 20 VAL M CG2 1 ? ? +19183 ATOM C C . VAL L 12 20 ? 17.546 -27.196 -12.420 1.00 48.36 ? 20 VAL M C 1 ? ? +19184 ATOM O O . VAL L 12 20 ? 17.976 -27.386 -11.281 1.00 48.92 ? 20 VAL M O 1 ? ? +19185 ATOM N N . PHE L 12 21 ? 16.482 -27.832 -12.924 1.00 47.71 ? 21 PHE M N 1 ? ? +19186 ATOM C CA . PHE L 12 21 ? 15.859 -28.934 -12.218 1.00 47.48 ? 21 PHE M CA 1 ? ? +19187 ATOM C CB . PHE L 12 21 ? 14.777 -29.537 -13.109 1.00 47.37 ? 21 PHE M CB 1 ? ? +19188 ATOM C CG . PHE L 12 21 ? 14.149 -30.773 -12.543 1.00 47.81 ? 21 PHE M CG 1 ? ? +19189 ATOM C CD1 . PHE L 12 21 ? 13.406 -30.719 -11.382 1.00 48.07 ? 21 PHE M CD1 1 ? ? +19190 ATOM C CD2 . PHE L 12 21 ? 14.318 -31.994 -13.162 1.00 48.08 ? 21 PHE M CD2 1 ? ? +19191 ATOM C CE1 . PHE L 12 21 ? 12.847 -31.863 -10.853 1.00 48.53 ? 21 PHE M CE1 1 ? ? +19192 ATOM C CE2 . PHE L 12 21 ? 13.739 -33.137 -12.638 1.00 48.41 ? 21 PHE M CE2 1 ? ? +19193 ATOM C CZ . PHE L 12 21 ? 13.005 -33.064 -11.490 1.00 48.62 ? 21 PHE M CZ 1 ? ? +19194 ATOM C C . PHE L 12 21 ? 16.887 -29.988 -11.792 1.00 47.25 ? 21 PHE M C 1 ? ? +19195 ATOM O O . PHE L 12 21 ? 16.957 -30.358 -10.620 1.00 47.07 ? 21 PHE M O 1 ? ? +19196 ATOM N N . LEU L 12 22 ? 17.680 -30.466 -12.754 1.00 47.03 ? 22 LEU M N 1 ? ? +19197 ATOM C CA . LEU L 12 22 ? 18.701 -31.468 -12.482 1.00 47.28 ? 22 LEU M CA 1 ? ? +19198 ATOM C CB . LEU L 12 22 ? 19.388 -31.907 -13.779 1.00 47.25 ? 22 LEU M CB 1 ? ? +19199 ATOM C CG . LEU L 12 22 ? 18.516 -32.638 -14.780 1.00 47.16 ? 22 LEU M CG 1 ? ? +19200 ATOM C CD1 . LEU L 12 22 ? 19.225 -32.893 -16.051 1.00 47.03 ? 22 LEU M CD1 1 ? ? +19201 ATOM C CD2 . LEU L 12 22 ? 18.066 -33.952 -14.235 1.00 47.60 ? 22 LEU M CD2 1 ? ? +19202 ATOM C C . LEU L 12 22 ? 19.759 -30.982 -11.495 1.00 47.25 ? 22 LEU M C 1 ? ? +19203 ATOM O O . LEU L 12 22 ? 20.184 -31.752 -10.644 1.00 47.71 ? 22 LEU M O 1 ? ? +19204 ATOM N N . ILE L 12 23 ? 20.153 -29.707 -11.590 1.00 46.98 ? 23 ILE M N 1 ? ? +19205 ATOM C CA . ILE L 12 23 ? 21.156 -29.148 -10.696 1.00 47.27 ? 23 ILE M CA 1 ? ? +19206 ATOM C CB . ILE L 12 23 ? 21.679 -27.774 -11.216 1.00 47.27 ? 23 ILE M CB 1 ? ? +19207 ATOM C CG1 . ILE L 12 23 ? 22.442 -27.946 -12.562 1.00 47.32 ? 23 ILE M CG1 1 ? ? +19208 ATOM C CG2 . ILE L 12 23 ? 22.594 -27.084 -10.194 1.00 47.57 ? 23 ILE M CG2 1 ? ? +19209 ATOM C CD1 . ILE L 12 23 ? 22.764 -26.657 -13.318 1.00 47.05 ? 23 ILE M CD1 1 ? ? +19210 ATOM C C . ILE L 12 23 ? 20.644 -29.072 -9.259 1.00 47.26 ? 23 ILE M C 1 ? ? +19211 ATOM O O . ILE L 12 23 ? 21.354 -29.427 -8.322 1.00 47.59 ? 23 ILE M O 1 ? ? +19212 ATOM N N . ILE L 12 24 ? 19.406 -28.618 -9.080 1.00 46.88 ? 24 ILE M N 1 ? ? +19213 ATOM C CA . ILE L 12 24 ? 18.802 -28.638 -7.759 1.00 47.04 ? 24 ILE M CA 1 ? ? +19214 ATOM C CB . ILE L 12 24 ? 17.348 -28.102 -7.796 1.00 46.89 ? 24 ILE M CB 1 ? ? +19215 ATOM C CG1 . ILE L 12 24 ? 17.306 -26.611 -8.162 1.00 46.63 ? 24 ILE M CG1 1 ? ? +19216 ATOM C CG2 . ILE L 12 24 ? 16.654 -28.330 -6.467 1.00 47.22 ? 24 ILE M CG2 1 ? ? +19217 ATOM C CD1 . ILE L 12 24 ? 15.957 -26.179 -8.769 1.00 46.42 ? 24 ILE M CD1 1 ? ? +19218 ATOM C C . ILE L 12 24 ? 18.871 -30.041 -7.158 1.00 47.19 ? 24 ILE M C 1 ? ? +19219 ATOM O O . ILE L 12 24 ? 19.356 -30.215 -6.039 1.00 47.60 ? 24 ILE M O 1 ? ? +19220 ATOM N N . LEU L 12 25 ? 18.399 -31.042 -7.909 1.00 46.95 ? 25 LEU M N 1 ? ? +19221 ATOM C CA . LEU L 12 25 ? 18.348 -32.407 -7.401 1.00 47.13 ? 25 LEU M CA 1 ? ? +19222 ATOM C CB . LEU L 12 25 ? 17.641 -33.363 -8.371 1.00 47.01 ? 25 LEU M CB 1 ? ? +19223 ATOM C CG . LEU L 12 25 ? 16.090 -33.189 -8.520 1.00 46.88 ? 25 LEU M CG 1 ? ? +19224 ATOM C CD1 . LEU L 12 25 ? 15.497 -34.309 -9.291 1.00 46.82 ? 25 LEU M CD1 1 ? ? +19225 ATOM C CD2 . LEU L 12 25 ? 15.405 -33.116 -7.201 1.00 47.18 ? 25 LEU M CD2 1 ? ? +19226 ATOM C C . LEU L 12 25 ? 19.745 -32.937 -7.095 1.00 47.24 ? 25 LEU M C 1 ? ? +19227 ATOM O O . LEU L 12 25 ? 19.949 -33.588 -6.075 1.00 47.57 ? 25 LEU M O 1 ? ? +19228 ATOM N N . TYR L 12 26 ? 20.706 -32.656 -7.976 1.00 47.04 ? 26 TYR M N 1 ? ? +19229 ATOM C CA . TYR L 12 26 ? 22.074 -33.110 -7.761 1.00 47.37 ? 26 TYR M CA 1 ? ? +19230 ATOM C CB . TYR L 12 26 ? 22.970 -32.786 -8.947 1.00 47.19 ? 26 TYR M CB 1 ? ? +19231 ATOM C CG . TYR L 12 26 ? 24.409 -33.131 -8.648 1.00 47.66 ? 26 TYR M CG 1 ? ? +19232 ATOM C CD1 . TYR L 12 26 ? 24.799 -34.441 -8.437 1.00 48.05 ? 26 TYR M CD1 1 ? ? +19233 ATOM C CD2 . TYR L 12 26 ? 25.369 -32.139 -8.519 1.00 47.82 ? 26 TYR M CD2 1 ? ? +19234 ATOM C CE1 . TYR L 12 26 ? 26.118 -34.762 -8.142 1.00 48.57 ? 26 TYR M CE1 1 ? ? +19235 ATOM C CE2 . TYR L 12 26 ? 26.691 -32.446 -8.222 1.00 48.33 ? 26 TYR M CE2 1 ? ? +19236 ATOM C CZ . TYR L 12 26 ? 27.063 -33.760 -8.029 1.00 48.67 ? 26 TYR M CZ 1 ? ? +19237 ATOM O OH . TYR L 12 26 ? 28.373 -34.044 -7.719 1.00 49.32 ? 26 TYR M OH 1 ? ? +19238 ATOM C C . TYR L 12 26 ? 22.681 -32.513 -6.493 1.00 47.61 ? 26 TYR M C 1 ? ? +19239 ATOM O O . TYR L 12 26 ? 23.184 -33.238 -5.637 1.00 47.99 ? 26 TYR M O 1 ? ? +19240 ATOM N N . VAL L 12 27 ? 22.609 -31.186 -6.365 1.00 47.47 ? 27 VAL M N 1 ? ? +19241 ATOM C CA . VAL L 12 27 ? 23.263 -30.498 -5.265 1.00 47.89 ? 27 VAL M CA 1 ? ? +19242 ATOM C CB . VAL L 12 27 ? 23.219 -28.960 -5.472 1.00 47.53 ? 27 VAL M CB 1 ? ? +19243 ATOM C CG1 . VAL L 12 27 ? 23.763 -28.213 -4.269 1.00 47.92 ? 27 VAL M CG1 1 ? ? +19244 ATOM C CG2 . VAL L 12 27 ? 23.973 -28.544 -6.718 1.00 47.17 ? 27 VAL M CG2 1 ? ? +19245 ATOM C C . VAL L 12 27 ? 22.682 -30.930 -3.919 1.00 48.50 ? 27 VAL M C 1 ? ? +19246 ATOM O O . VAL L 12 27 ? 23.427 -31.132 -2.972 1.00 48.90 ? 27 VAL M O 1 ? ? +19247 ATOM N N . GLN L 12 28 ? 21.355 -31.098 -3.829 1.00 48.70 ? 28 GLN M N 1 ? ? +19248 ATOM C CA . GLN L 12 28 ? 20.746 -31.511 -2.574 1.00 49.21 ? 28 GLN M CA 1 ? ? +19249 ATOM C CB . GLN L 12 28 ? 19.237 -31.167 -2.548 1.00 48.85 ? 28 GLN M CB 1 ? ? +19250 ATOM C CG . GLN L 12 28 ? 18.305 -31.993 -3.445 1.00 48.37 ? 28 GLN M CG 1 ? ? +19251 ATOM C CD . GLN L 12 28 ? 17.954 -33.334 -2.879 1.00 48.56 ? 28 GLN M CD 1 ? ? +19252 ATOM O OE1 . GLN L 12 28 ? 17.631 -33.460 -1.700 1.00 48.90 ? 28 GLN M OE1 1 ? ? +19253 ATOM N NE2 . GLN L 12 28 ? 18.026 -34.369 -3.698 1.00 48.44 ? 28 GLN M NE2 1 ? ? +19254 ATOM C C . GLN L 12 28 ? 20.996 -32.983 -2.259 1.00 50.20 ? 28 GLN M C 1 ? ? +19255 ATOM O O . GLN L 12 28 ? 20.874 -33.376 -1.109 1.00 50.73 ? 28 GLN M O 1 ? ? +19256 ATOM N N . THR L 12 29 ? 21.356 -33.794 -3.262 1.00 50.94 ? 29 THR M N 1 ? ? +19257 ATOM C CA . THR L 12 29 ? 21.800 -35.160 -3.018 1.00 52.30 ? 29 THR M CA 1 ? ? +19258 ATOM C CB . THR L 12 29 ? 21.849 -35.980 -4.309 1.00 51.97 ? 29 THR M CB 1 ? ? +19259 ATOM O OG1 . THR L 12 29 ? 20.628 -35.819 -5.018 1.00 51.59 ? 29 THR M OG1 1 ? ? +19260 ATOM C CG2 . THR L 12 29 ? 22.102 -37.457 -4.053 1.00 52.34 ? 29 THR M CG2 1 ? ? +19261 ATOM C C . THR L 12 29 ? 23.175 -35.180 -2.350 1.00 54.15 ? 29 THR M C 1 ? ? +19262 ATOM O O . THR L 12 29 ? 23.369 -35.876 -1.357 1.00 54.61 ? 29 THR M O 1 ? ? +19263 ATOM N N . GLU L 12 30 ? 24.112 -34.409 -2.915 1.00 55.71 ? 30 GLU M N 1 ? ? +19264 ATOM C CA . GLU L 12 30 ? 25.454 -34.271 -2.377 1.00 57.75 ? 30 GLU M CA 1 ? ? +19265 ATOM C CB . GLU L 12 30 ? 26.280 -33.314 -3.243 1.00 57.74 ? 30 GLU M CB 1 ? ? +19266 ATOM C CG . GLU L 12 30 ? 26.761 -33.948 -4.529 1.00 58.08 ? 30 GLU M CG 1 ? ? +19267 ATOM C CD . GLU L 12 30 ? 27.809 -35.027 -4.319 1.00 59.42 ? 30 GLU M CD 1 ? ? +19268 ATOM O OE1 . GLU L 12 30 ? 27.435 -36.189 -4.038 1.00 59.48 ? 30 GLU M OE1 1 ? ? +19269 ATOM O OE2 . GLU L 12 30 ? 29.013 -34.686 -4.363 1.00 61.26 ? 30 GLU M OE2 1 ? ? +19270 ATOM C C . GLU L 12 30 ? 25.471 -33.778 -0.937 1.00 59.98 ? 30 GLU M C 1 ? ? +19271 ATOM O O . GLU L 12 30 ? 26.263 -34.266 -0.143 1.00 62.59 ? 30 GLU M O 1 ? ? +19272 ATOM N N . SER L 12 31 ? 24.602 -32.823 -0.598 1.00 61.31 ? 31 SER M N 1 ? ? +19273 ATOM C CA . SER L 12 31 ? 24.568 -32.264 0.745 1.00 63.26 ? 31 SER M CA 1 ? ? +19274 ATOM C CB . SER L 12 31 ? 23.878 -30.904 0.731 1.00 63.06 ? 31 SER M CB 1 ? ? +19275 ATOM O OG . SER L 12 31 ? 22.472 -31.014 0.584 1.00 62.34 ? 31 SER M OG 1 ? ? +19276 ATOM C C . SER L 12 31 ? 23.916 -33.168 1.794 1.00 66.11 ? 31 SER M C 1 ? ? +19277 ATOM O O . SER L 12 31 ? 23.960 -32.859 2.980 1.00 67.65 ? 31 SER M O 1 ? ? +19278 ATOM N N . GLN L 12 32 ? 23.306 -34.279 1.364 1.00 68.73 ? 32 GLN M N 1 ? ? +19279 ATOM C CA . GLN L 12 32 ? 22.810 -35.285 2.291 1.00 71.60 ? 32 GLN M CA 1 ? ? +19280 ATOM C CB . GLN L 12 32 ? 21.853 -36.262 1.596 1.00 70.20 ? 32 GLN M CB 1 ? ? +19281 ATOM C CG . GLN L 12 32 ? 20.511 -35.667 1.232 1.00 68.33 ? 32 GLN M CG 1 ? ? +19282 ATOM C CD . GLN L 12 32 ? 19.693 -36.611 0.379 1.00 68.14 ? 32 GLN M CD 1 ? ? +19283 ATOM O OE1 . GLN L 12 32 ? 19.582 -37.789 0.677 1.00 69.91 ? 32 GLN M OE1 1 ? ? +19284 ATOM N NE2 . GLN L 12 32 ? 19.078 -36.138 -0.693 1.00 67.02 ? 32 GLN M NE2 1 ? ? +19285 ATOM C C . GLN L 12 32 ? 23.980 -36.073 2.863 1.00 76.70 ? 32 GLN M C 1 ? ? +19286 ATOM O O . GLN L 12 32 ? 25.051 -36.103 2.274 1.00 77.44 ? 32 GLN M O 1 ? ? +19287 ATOM N N . GLN L 12 33 ? 23.766 -36.766 3.983 1.00 86.84 ? 33 GLN M N 1 ? ? +19288 ATOM C CA . GLN L 12 33 ? 24.795 -37.657 4.504 1.00 100.14 ? 33 GLN M CA 1 ? ? +19289 ATOM C CB . GLN L 12 33 ? 25.160 -37.324 5.969 1.00 106.30 ? 33 GLN M CB 1 ? ? +19290 ATOM C CG . GLN L 12 33 ? 26.385 -38.089 6.505 1.00 109.14 ? 33 GLN M CG 1 ? ? +19291 ATOM C CD . GLN L 12 33 ? 27.491 -38.190 5.481 1.00 112.15 ? 33 GLN M CD 1 ? ? +19292 ATOM O OE1 . GLN L 12 33 ? 27.465 -39.043 4.580 1.00 110.37 ? 33 GLN M OE1 1 ? ? +19293 ATOM N NE2 . GLN L 12 33 ? 28.497 -37.331 5.597 1.00 115.02 ? 33 GLN M NE2 1 ? ? +19294 ATOM C C . GLN L 12 33 ? 24.365 -39.123 4.384 1.00 105.89 ? 33 GLN M C 1 ? ? +19295 ATOM O O . GLN L 12 33 ? 25.148 -39.952 3.905 1.00 108.66 ? 33 GLN M O 1 ? ? +19296 ATOM O OXT . GLN L 12 33 ? 23.243 -39.477 4.761 1.00 107.70 ? 33 GLN M OXT 1 ? ? +19297 ATOM N N . THR M 13 1 ? 60.947 -25.144 -77.507 1.00 89.72 ? 4 THR O N 1 ? ? +19298 ATOM C CA . THR M 13 1 ? 60.390 -26.341 -78.146 1.00 88.92 ? 4 THR O CA 1 ? ? +19299 ATOM C CB . THR M 13 1 ? 61.490 -26.996 -78.991 1.00 91.08 ? 4 THR O CB 1 ? ? +19300 ATOM O OG1 . THR M 13 1 ? 60.994 -28.260 -79.441 1.00 91.58 ? 4 THR O OG1 1 ? ? +19301 ATOM C CG2 . THR M 13 1 ? 62.840 -27.154 -78.220 1.00 91.75 ? 4 THR O CG2 1 ? ? +19302 ATOM C C . THR M 13 1 ? 59.756 -27.298 -77.131 1.00 86.25 ? 4 THR O C 1 ? ? +19303 ATOM O O . THR M 13 1 ? 59.996 -28.507 -77.175 1.00 85.70 ? 4 THR O O 1 ? ? +19304 ATOM N N . LEU M 13 2 ? 58.906 -26.747 -76.248 1.00 82.57 ? 5 LEU O N 1 ? ? +19305 ATOM C CA . LEU M 13 2 ? 58.360 -27.499 -75.128 1.00 79.75 ? 5 LEU O CA 1 ? ? +19306 ATOM C CB . LEU M 13 2 ? 58.074 -26.576 -73.923 1.00 79.35 ? 5 LEU O CB 1 ? ? +19307 ATOM C CG . LEU M 13 2 ? 59.296 -25.750 -73.398 1.00 80.04 ? 5 LEU O CG 1 ? ? +19308 ATOM C CD1 . LEU M 13 2 ? 59.094 -25.236 -71.974 1.00 78.85 ? 5 LEU O CD1 1 ? ? +19309 ATOM C CD2 . LEU M 13 2 ? 60.621 -26.551 -73.431 1.00 81.44 ? 5 LEU O CD2 1 ? ? +19310 ATOM C C . LEU M 13 2 ? 57.092 -28.239 -75.540 1.00 77.05 ? 5 LEU O C 1 ? ? +19311 ATOM O O . LEU M 13 2 ? 56.380 -27.803 -76.439 1.00 78.08 ? 5 LEU O O 1 ? ? +19312 ATOM N N . THR M 13 3 ? 56.857 -29.392 -74.905 1.00 73.96 ? 6 THR O N 1 ? ? +19313 ATOM C CA . THR M 13 3 ? 55.671 -30.196 -75.142 1.00 71.16 ? 6 THR O CA 1 ? ? +19314 ATOM C CB . THR M 13 3 ? 56.046 -31.647 -75.358 1.00 71.19 ? 6 THR O CB 1 ? ? +19315 ATOM O OG1 . THR M 13 3 ? 56.544 -32.152 -74.119 1.00 71.11 ? 6 THR O OG1 1 ? ? +19316 ATOM C CG2 . THR M 13 3 ? 57.049 -31.827 -76.471 1.00 71.88 ? 6 THR O CG2 1 ? ? +19317 ATOM C C . THR M 13 3 ? 54.719 -30.091 -73.955 1.00 68.46 ? 6 THR O C 1 ? ? +19318 ATOM O O . THR M 13 3 ? 55.104 -29.565 -72.912 1.00 67.69 ? 6 THR O O 1 ? ? +19319 ATOM N N . TYR M 13 4 ? 53.498 -30.619 -74.134 1.00 66.30 ? 7 TYR O N 1 ? ? +19320 ATOM C CA . TYR M 13 4 ? 52.459 -30.595 -73.113 1.00 64.40 ? 7 TYR O CA 1 ? ? +19321 ATOM C CB . TYR M 13 4 ? 51.226 -31.376 -73.598 1.00 63.49 ? 7 TYR O CB 1 ? ? +19322 ATOM C CG . TYR M 13 4 ? 50.077 -31.410 -72.610 1.00 62.19 ? 7 TYR O CG 1 ? ? +19323 ATOM C CD1 . TYR M 13 4 ? 49.276 -30.299 -72.403 1.00 61.36 ? 7 TYR O CD1 1 ? ? +19324 ATOM C CD2 . TYR M 13 4 ? 49.796 -32.557 -71.877 1.00 61.68 ? 7 TYR O CD2 1 ? ? +19325 ATOM C CE1 . TYR M 13 4 ? 48.224 -30.327 -71.490 1.00 60.33 ? 7 TYR O CE1 1 ? ? +19326 ATOM C CE2 . TYR M 13 4 ? 48.755 -32.590 -70.955 1.00 60.58 ? 7 TYR O CE2 1 ? ? +19327 ATOM C CZ . TYR M 13 4 ? 47.962 -31.477 -70.771 1.00 59.95 ? 7 TYR O CZ 1 ? ? +19328 ATOM O OH . TYR M 13 4 ? 46.914 -31.531 -69.872 1.00 59.13 ? 7 TYR O OH 1 ? ? +19329 ATOM C C . TYR M 13 4 ? 52.923 -31.181 -71.782 1.00 63.88 ? 7 TYR O C 1 ? ? +19330 ATOM O O . TYR M 13 4 ? 52.632 -30.634 -70.725 1.00 62.87 ? 7 TYR O O 1 ? ? +19331 ATOM N N . ASP M 13 5 ? 53.653 -32.296 -71.848 1.00 64.57 ? 8 ASP O N 1 ? ? +19332 ATOM C CA . ASP M 13 5 ? 54.192 -32.932 -70.656 1.00 64.78 ? 8 ASP O CA 1 ? ? +19333 ATOM C CB . ASP M 13 5 ? 54.798 -34.306 -71.002 1.00 65.20 ? 8 ASP O CB 1 ? ? +19334 ATOM C CG . ASP M 13 5 ? 53.776 -35.363 -71.400 1.00 64.81 ? 8 ASP O CG 1 ? ? +19335 ATOM O OD1 . ASP M 13 5 ? 52.952 -35.753 -70.540 1.00 63.62 ? 8 ASP O OD1 1 ? ? +19336 ATOM O OD2 . ASP M 13 5 ? 53.801 -35.801 -72.572 1.00 65.49 ? 8 ASP O OD2 1 ? ? +19337 ATOM C C . ASP M 13 5 ? 55.224 -32.063 -69.926 1.00 65.51 ? 8 ASP O C 1 ? ? +19338 ATOM O O . ASP M 13 5 ? 55.328 -32.146 -68.706 1.00 65.79 ? 8 ASP O O 1 ? ? +19339 ATOM N N . ASP M 13 6 ? 55.971 -31.218 -70.650 1.00 66.12 ? 9 ASP O N 1 ? ? +19340 ATOM C CA . ASP M 13 6 ? 56.825 -30.230 -70.003 1.00 66.72 ? 9 ASP O CA 1 ? ? +19341 ATOM C CB . ASP M 13 6 ? 57.785 -29.543 -71.000 1.00 68.09 ? 9 ASP O CB 1 ? ? +19342 ATOM C CG . ASP M 13 6 ? 58.644 -30.484 -71.790 1.00 68.88 ? 9 ASP O CG 1 ? ? +19343 ATOM O OD1 . ASP M 13 6 ? 59.267 -31.367 -71.177 1.00 69.57 ? 9 ASP O OD1 1 ? ? +19344 ATOM O OD2 . ASP M 13 6 ? 58.699 -30.335 -73.024 1.00 69.43 ? 9 ASP O OD2 1 ? ? +19345 ATOM C C . ASP M 13 6 ? 56.038 -29.135 -69.286 1.00 65.71 ? 9 ASP O C 1 ? ? +19346 ATOM O O . ASP M 13 6 ? 56.449 -28.685 -68.226 1.00 65.78 ? 9 ASP O O 1 ? ? +19347 ATOM N N . ILE M 13 7 ? 54.909 -28.710 -69.867 1.00 65.15 ? 10 ILE O N 1 ? ? +19348 ATOM C CA . ILE M 13 7 ? 54.118 -27.603 -69.337 1.00 64.14 ? 10 ILE O CA 1 ? ? +19349 ATOM C CB . ILE M 13 7 ? 53.469 -26.842 -70.537 1.00 64.33 ? 10 ILE O CB 1 ? ? +19350 ATOM C CG1 . ILE M 13 7 ? 54.552 -26.101 -71.337 1.00 65.56 ? 10 ILE O CG1 1 ? ? +19351 ATOM C CG2 . ILE M 13 7 ? 52.365 -25.855 -70.106 1.00 63.72 ? 10 ILE O CG2 1 ? ? +19352 ATOM C CD1 . ILE M 13 7 ? 54.173 -25.789 -72.766 1.00 65.99 ? 10 ILE O CD1 1 ? ? +19353 ATOM C C . ILE M 13 7 ? 53.065 -27.978 -68.295 1.00 62.65 ? 10 ILE O C 1 ? ? +19354 ATOM O O . ILE M 13 7 ? 52.754 -27.177 -67.413 1.00 62.36 ? 10 ILE O O 1 ? ? +19355 ATOM N N . VAL M 13 8 ? 52.499 -29.186 -68.388 1.00 61.62 ? 11 VAL O N 1 ? ? +19356 ATOM C CA . VAL M 13 8 ? 51.299 -29.491 -67.617 1.00 60.14 ? 11 VAL O CA 1 ? ? +19357 ATOM C CB . VAL M 13 8 ? 50.743 -30.905 -67.902 1.00 59.73 ? 11 VAL O CB 1 ? ? +19358 ATOM C CG1 . VAL M 13 8 ? 51.693 -32.003 -67.414 1.00 60.01 ? 11 VAL O CG1 1 ? ? +19359 ATOM C CG2 . VAL M 13 8 ? 49.354 -31.054 -67.294 1.00 58.83 ? 11 VAL O CG2 1 ? ? +19360 ATOM C C . VAL M 13 8 ? 51.522 -29.292 -66.119 1.00 59.48 ? 11 VAL O C 1 ? ? +19361 ATOM O O . VAL M 13 8 ? 52.528 -29.717 -65.579 1.00 60.15 ? 11 VAL O O 1 ? ? +19362 ATOM N N . GLY M 13 9 ? 50.581 -28.624 -65.449 1.00 58.54 ? 12 GLY O N 1 ? ? +19363 ATOM C CA . GLY M 13 9 ? 50.670 -28.404 -64.011 1.00 57.76 ? 12 GLY O CA 1 ? ? +19364 ATOM C C . GLY M 13 9 ? 51.520 -27.220 -63.549 1.00 57.70 ? 12 GLY O C 1 ? ? +19365 ATOM O O . GLY M 13 9 ? 51.470 -26.847 -62.378 1.00 57.14 ? 12 GLY O O 1 ? ? +19366 ATOM N N . THR M 13 10 ? 52.283 -26.617 -64.471 1.00 57.93 ? 13 THR O N 1 ? ? +19367 ATOM C CA . THR M 13 10 ? 53.223 -25.570 -64.104 1.00 58.16 ? 13 THR O CA 1 ? ? +19368 ATOM C CB . THR M 13 10 ? 54.370 -25.474 -65.092 1.00 58.83 ? 13 THR O CB 1 ? ? +19369 ATOM O OG1 . THR M 13 10 ? 53.908 -24.923 -66.326 1.00 58.69 ? 13 THR O OG1 1 ? ? +19370 ATOM C CG2 . THR M 13 10 ? 55.023 -26.820 -65.321 1.00 59.22 ? 13 THR O CG2 1 ? ? +19371 ATOM C C . THR M 13 10 ? 52.590 -24.191 -63.987 1.00 57.85 ? 13 THR O C 1 ? ? +19372 ATOM O O . THR M 13 10 ? 53.112 -23.353 -63.260 1.00 58.34 ? 13 THR O O 1 ? ? +19373 ATOM N N . GLY M 13 11 ? 51.504 -23.949 -64.732 1.00 57.28 ? 14 GLY O N 1 ? ? +19374 ATOM C CA . GLY M 13 11 ? 50.917 -22.624 -64.812 1.00 56.82 ? 14 GLY O CA 1 ? ? +19375 ATOM C C . GLY M 13 11 ? 51.296 -21.863 -66.078 1.00 57.28 ? 14 GLY O C 1 ? ? +19376 ATOM O O . GLY M 13 11 ? 50.705 -20.826 -66.344 1.00 56.91 ? 14 GLY O O 1 ? ? +19377 ATOM N N . LEU M 13 12 ? 52.312 -22.352 -66.814 1.00 58.06 ? 15 LEU O N 1 ? ? +19378 ATOM C CA . LEU M 13 12 ? 52.753 -21.746 -68.065 1.00 58.69 ? 15 LEU O CA 1 ? ? +19379 ATOM C CB . LEU M 13 12 ? 53.981 -22.500 -68.626 1.00 59.66 ? 15 LEU O CB 1 ? ? +19380 ATOM C CG . LEU M 13 12 ? 55.450 -22.111 -68.154 1.00 60.64 ? 15 LEU O CG 1 ? ? +19381 ATOM C CD1 . LEU M 13 12 ? 55.892 -20.773 -68.679 1.00 61.18 ? 15 LEU O CD1 1 ? ? +19382 ATOM C CD2 . LEU M 13 12 ? 55.568 -22.087 -66.649 1.00 60.44 ? 15 LEU O CD2 1 ? ? +19383 ATOM C C . LEU M 13 12 ? 51.651 -21.724 -69.134 1.00 58.28 ? 15 LEU O C 1 ? ? +19384 ATOM O O . LEU M 13 12 ? 51.614 -20.834 -69.972 1.00 58.43 ? 15 LEU O O 1 ? ? +19385 ATOM N N . ALA M 13 13 ? 50.747 -22.712 -69.112 1.00 57.69 ? 16 ALA O N 1 ? ? +19386 ATOM C CA . ALA M 13 13 ? 49.617 -22.755 -70.031 1.00 57.43 ? 16 ALA O CA 1 ? ? +19387 ATOM C CB . ALA M 13 13 ? 48.790 -23.992 -69.742 1.00 56.83 ? 16 ALA O CB 1 ? ? +19388 ATOM C C . ALA M 13 13 ? 48.705 -21.522 -69.998 1.00 57.07 ? 16 ALA O C 1 ? ? +19389 ATOM O O . ALA M 13 13 ? 48.053 -21.203 -70.987 1.00 56.95 ? 16 ALA O O 1 ? ? +19390 ATOM N N . ASN M 13 14 ? 48.672 -20.823 -68.862 1.00 56.92 ? 17 ASN O N 1 ? ? +19391 ATOM C CA . ASN M 13 14 ? 47.929 -19.582 -68.734 1.00 56.93 ? 17 ASN O CA 1 ? ? +19392 ATOM C CB . ASN M 13 14 ? 47.257 -19.558 -67.365 1.00 56.02 ? 17 ASN O CB 1 ? ? +19393 ATOM C CG . ASN M 13 14 ? 46.197 -18.501 -67.256 1.00 55.54 ? 17 ASN O CG 1 ? ? +19394 ATOM O OD1 . ASN M 13 14 ? 45.371 -18.317 -68.155 1.00 55.35 ? 17 ASN O OD1 1 ? ? +19395 ATOM N ND2 . ASN M 13 14 ? 46.205 -17.780 -66.162 1.00 55.24 ? 17 ASN O ND2 1 ? ? +19396 ATOM C C . ASN M 13 14 ? 48.752 -18.308 -68.919 1.00 58.19 ? 17 ASN O C 1 ? ? +19397 ATOM O O . ASN M 13 14 ? 48.277 -17.225 -68.607 1.00 57.92 ? 17 ASN O O 1 ? ? +19398 ATOM N N . LYS M 13 15 ? 49.978 -18.433 -69.440 1.00 59.98 ? 18 LYS O N 1 ? ? +19399 ATOM C CA . LYS M 13 15 ? 50.812 -17.281 -69.747 1.00 61.49 ? 18 LYS O CA 1 ? ? +19400 ATOM C CB . LYS M 13 15 ? 52.241 -17.426 -69.184 1.00 62.81 ? 18 LYS O CB 1 ? ? +19401 ATOM C CG . LYS M 13 15 ? 52.385 -17.557 -67.685 1.00 63.23 ? 18 LYS O CG 1 ? ? +19402 ATOM C CD . LYS M 13 15 ? 51.935 -16.334 -66.916 1.00 63.92 ? 18 LYS O CD 1 ? ? +19403 ATOM C CE . LYS M 13 15 ? 52.553 -16.248 -65.510 1.00 64.67 ? 18 LYS O CE 1 ? ? +19404 ATOM N NZ . LYS M 13 15 ? 52.265 -17.478 -64.710 1.00 64.68 ? 18 LYS O NZ 1 ? ? +19405 ATOM C C . LYS M 13 15 ? 50.911 -17.104 -71.261 1.00 62.21 ? 18 LYS O C 1 ? ? +19406 ATOM O O . LYS M 13 15 ? 50.947 -18.080 -72.015 1.00 62.04 ? 18 LYS O O 1 ? ? +19407 ATOM N N . CYS M 13 16 ? 50.953 -15.838 -71.696 1.00 62.90 ? 19 CYS O N 1 ? ? +19408 ATOM C CA . CYS M 13 16 ? 51.172 -15.514 -73.094 1.00 63.69 ? 19 CYS O CA 1 ? ? +19409 ATOM C CB . CYS M 13 16 ? 50.513 -14.195 -73.471 1.00 63.18 ? 19 CYS O CB 1 ? ? +19410 ATOM S SG . CYS M 13 16 ? 48.720 -14.219 -73.311 1.00 61.42 ? 19 CYS O SG 1 ? ? +19411 ATOM C C . CYS M 13 16 ? 52.666 -15.488 -73.350 1.00 65.53 ? 19 CYS O C 1 ? ? +19412 ATOM O O . CYS M 13 16 ? 53.440 -15.256 -72.431 1.00 65.90 ? 19 CYS O O 1 ? ? +19413 ATOM N N . PRO M 13 17 ? 53.127 -15.760 -74.588 1.00 67.62 ? 20 PRO O N 1 ? ? +19414 ATOM C CA . PRO M 13 17 ? 54.538 -15.575 -74.916 1.00 69.28 ? 20 PRO O CA 1 ? ? +19415 ATOM C CB . PRO M 13 17 ? 54.605 -15.928 -76.400 1.00 69.45 ? 20 PRO O CB 1 ? ? +19416 ATOM C CG . PRO M 13 17 ? 53.407 -16.819 -76.627 1.00 68.65 ? 20 PRO O CG 1 ? ? +19417 ATOM C CD . PRO M 13 17 ? 52.346 -16.298 -75.713 1.00 67.65 ? 20 PRO O CD 1 ? ? +19418 ATOM C C . PRO M 13 17 ? 54.996 -14.150 -74.631 1.00 71.18 ? 20 PRO O C 1 ? ? +19419 ATOM O O . PRO M 13 17 ? 54.206 -13.218 -74.581 1.00 70.42 ? 20 PRO O O 1 ? ? +19420 ATOM N N . THR M 13 18 ? 56.301 -14.018 -74.413 1.00 74.63 ? 21 THR O N 1 ? ? +19421 ATOM C CA . THR M 13 18 ? 56.980 -12.739 -74.434 1.00 77.08 ? 21 THR O CA 1 ? ? +19422 ATOM C CB . THR M 13 18 ? 57.742 -12.516 -73.147 1.00 77.96 ? 21 THR O CB 1 ? ? +19423 ATOM O OG1 . THR M 13 18 ? 58.254 -13.777 -72.721 1.00 78.50 ? 21 THR O OG1 1 ? ? +19424 ATOM C CG2 . THR M 13 18 ? 56.894 -11.922 -72.051 1.00 77.48 ? 21 THR O CG2 1 ? ? +19425 ATOM C C . THR M 13 18 ? 57.938 -12.746 -75.615 1.00 79.61 ? 21 THR O C 1 ? ? +19426 ATOM O O . THR M 13 18 ? 58.267 -13.803 -76.155 1.00 79.30 ? 21 THR O O 1 ? ? +19427 ATOM N N . LEU M 13 19 ? 58.369 -11.542 -75.992 1.00 82.71 ? 22 LEU O N 1 ? ? +19428 ATOM C CA . LEU M 13 19 ? 59.472 -11.368 -76.918 1.00 85.23 ? 22 LEU O CA 1 ? ? +19429 ATOM C CB . LEU M 13 19 ? 59.101 -10.329 -77.984 1.00 85.25 ? 22 LEU O CB 1 ? ? +19430 ATOM C CG . LEU M 13 19 ? 57.944 -10.714 -78.890 1.00 84.51 ? 22 LEU O CG 1 ? ? +19431 ATOM C CD1 . LEU M 13 19 ? 57.665 -9.629 -79.895 1.00 84.60 ? 22 LEU O CD1 1 ? ? +19432 ATOM C CD2 . LEU M 13 19 ? 58.226 -12.036 -79.584 1.00 84.55 ? 22 LEU O CD2 1 ? ? +19433 ATOM C C . LEU M 13 19 ? 60.681 -10.927 -76.104 1.00 88.21 ? 22 LEU O C 1 ? ? +19434 ATOM O O . LEU M 13 19 ? 60.542 -10.487 -74.965 1.00 87.44 ? 22 LEU O O 1 ? ? +19435 ATOM N N . ASP M 13 20 ? 61.865 -11.062 -76.702 1.00 93.87 ? 23 ASP O N 1 ? ? +19436 ATOM C CA . ASP M 13 20 ? 63.094 -10.628 -76.059 1.00 98.31 ? 23 ASP O CA 1 ? ? +19437 ATOM C CB . ASP M 13 20 ? 64.326 -11.118 -76.847 1.00 100.94 ? 23 ASP O CB 1 ? ? +19438 ATOM C CG . ASP M 13 20 ? 65.405 -11.661 -75.943 1.00 105.20 ? 23 ASP O CG 1 ? ? +19439 ATOM O OD1 . ASP M 13 20 ? 65.087 -12.542 -75.113 1.00 104.68 ? 23 ASP O OD1 1 ? ? +19440 ATOM O OD2 . ASP M 13 20 ? 66.587 -11.214 -76.071 1.00 111.70 ? 23 ASP O OD2 1 ? ? +19441 ATOM C C . ASP M 13 20 ? 63.104 -9.107 -75.931 1.00 100.54 ? 23 ASP O C 1 ? ? +19442 ATOM O O . ASP M 13 20 ? 62.356 -8.416 -76.619 1.00 99.31 ? 23 ASP O O 1 ? ? +19443 ATOM N N . ASP M 13 21 ? 63.968 -8.597 -75.048 1.00 105.02 ? 24 ASP O N 1 ? ? +19444 ATOM C CA . ASP M 13 21 ? 64.159 -7.158 -74.931 1.00 107.90 ? 24 ASP O CA 1 ? ? +19445 ATOM C CB . ASP M 13 21 ? 64.849 -6.804 -73.604 1.00 110.94 ? 24 ASP O CB 1 ? ? +19446 ATOM C CG . ASP M 13 21 ? 63.845 -6.777 -72.457 1.00 115.17 ? 24 ASP O CG 1 ? ? +19447 ATOM O OD1 . ASP M 13 21 ? 62.868 -5.998 -72.543 1.00 116.71 ? 24 ASP O OD1 1 ? ? +19448 ATOM O OD2 . ASP M 13 21 ? 64.024 -7.553 -71.483 1.00 118.74 ? 24 ASP O OD2 1 ? ? +19449 ATOM C C . ASP M 13 21 ? 64.909 -6.558 -76.121 1.00 106.12 ? 24 ASP O C 1 ? ? +19450 ATOM O O . ASP M 13 21 ? 64.933 -5.342 -76.275 1.00 105.20 ? 24 ASP O O 1 ? ? +19451 ATOM N N . THR M 13 22 ? 65.488 -7.413 -76.972 1.00 106.05 ? 25 THR O N 1 ? ? +19452 ATOM C CA . THR M 13 22 ? 66.092 -6.963 -78.219 1.00 107.56 ? 25 THR O CA 1 ? ? +19453 ATOM C CB . THR M 13 22 ? 66.913 -8.091 -78.922 1.00 108.29 ? 25 THR O CB 1 ? ? +19454 ATOM O OG1 . THR M 13 22 ? 66.073 -8.831 -79.806 1.00 108.25 ? 25 THR O OG1 1 ? ? +19455 ATOM C CG2 . THR M 13 22 ? 67.554 -9.075 -77.963 1.00 107.41 ? 25 THR O CG2 1 ? ? +19456 ATOM C C . THR M 13 22 ? 65.030 -6.436 -79.185 1.00 106.64 ? 25 THR O C 1 ? ? +19457 ATOM O O . THR M 13 22 ? 65.301 -5.511 -79.942 1.00 107.01 ? 25 THR O O 1 ? ? +19458 ATOM N N . ALA M 13 23 ? 63.835 -7.046 -79.151 1.00 106.14 ? 26 ALA O N 1 ? ? +19459 ATOM C CA . ALA M 13 23 ? 62.787 -6.831 -80.144 1.00 104.80 ? 26 ALA O CA 1 ? ? +19460 ATOM C CB . ALA M 13 23 ? 61.686 -7.886 -79.987 1.00 102.64 ? 26 ALA O CB 1 ? ? +19461 ATOM C C . ALA M 13 23 ? 62.181 -5.432 -80.074 1.00 104.22 ? 26 ALA O C 1 ? ? +19462 ATOM O O . ALA M 13 23 ? 61.167 -5.216 -79.416 1.00 102.59 ? 26 ALA O O 1 ? ? +19463 ATOM N N . ARG M 13 24 ? 62.846 -4.485 -80.746 1.00 106.69 ? 27 ARG O N 1 ? ? +19464 ATOM C CA . ARG M 13 24 ? 62.376 -3.112 -80.867 1.00 107.43 ? 27 ARG O CA 1 ? ? +19465 ATOM C CB . ARG M 13 24 ? 63.359 -2.147 -80.164 1.00 110.49 ? 27 ARG O CB 1 ? ? +19466 ATOM C CG . ARG M 13 24 ? 63.597 -2.417 -78.677 1.00 112.85 ? 27 ARG O CG 1 ? ? +19467 ATOM C CD . ARG M 13 24 ? 62.458 -1.925 -77.817 1.00 114.94 ? 27 ARG O CD 1 ? ? +19468 ATOM N NE . ARG M 13 24 ? 62.892 -1.712 -76.439 1.00 118.17 ? 27 ARG O NE 1 ? ? +19469 ATOM C CZ . ARG M 13 24 ? 62.531 -2.457 -75.399 1.00 119.78 ? 27 ARG O CZ 1 ? ? +19470 ATOM N NH1 . ARG M 13 24 ? 61.749 -3.515 -75.542 1.00 118.51 ? 27 ARG O NH1 1 ? ? +19471 ATOM N NH2 . ARG M 13 24 ? 62.976 -2.138 -74.186 1.00 121.48 ? 27 ARG O NH2 1 ? ? +19472 ATOM C C . ARG M 13 24 ? 62.237 -2.711 -82.336 1.00 105.43 ? 27 ARG O C 1 ? ? +19473 ATOM O O . ARG M 13 24 ? 62.138 -1.524 -82.644 1.00 107.01 ? 27 ARG O O 1 ? ? +19474 ATOM N N . GLY M 13 25 ? 62.209 -3.705 -83.236 1.00 101.89 ? 28 GLY O N 1 ? ? +19475 ATOM C CA . GLY M 13 25 ? 62.181 -3.464 -84.669 1.00 100.15 ? 28 GLY O CA 1 ? ? +19476 ATOM C C . GLY M 13 25 ? 60.847 -2.931 -85.189 1.00 98.04 ? 28 GLY O C 1 ? ? +19477 ATOM O O . GLY M 13 25 ? 60.048 -2.365 -84.441 1.00 96.24 ? 28 GLY O O 1 ? ? +19478 ATOM N N . ALA M 13 26 ? 60.634 -3.115 -86.496 1.00 96.70 ? 29 ALA O N 1 ? ? +19479 ATOM C CA . ALA M 13 26 ? 59.483 -2.567 -87.192 1.00 94.56 ? 29 ALA O CA 1 ? ? +19480 ATOM C CB . ALA M 13 26 ? 59.868 -1.273 -87.887 1.00 95.52 ? 29 ALA O CB 1 ? ? +19481 ATOM C C . ALA M 13 26 ? 58.966 -3.583 -88.205 1.00 92.98 ? 29 ALA O C 1 ? ? +19482 ATOM O O . ALA M 13 26 ? 59.753 -4.177 -88.936 1.00 93.57 ? 29 ALA O O 1 ? ? +19483 ATOM N N . TYR M 13 27 ? 57.642 -3.769 -88.242 1.00 91.06 ? 30 TYR O N 1 ? ? +19484 ATOM C CA . TYR M 13 27 ? 57.019 -4.724 -89.146 1.00 89.86 ? 30 TYR O CA 1 ? ? +19485 ATOM C CB . TYR M 13 27 ? 56.036 -5.630 -88.391 1.00 87.11 ? 30 TYR O CB 1 ? ? +19486 ATOM C CG . TYR M 13 27 ? 55.422 -6.707 -89.258 1.00 85.51 ? 30 TYR O CG 1 ? ? +19487 ATOM C CD2 . TYR M 13 27 ? 54.153 -6.552 -89.791 1.00 84.27 ? 30 TYR O CD2 1 ? ? +19488 ATOM C CD1 . TYR M 13 27 ? 56.116 -7.876 -89.553 1.00 84.96 ? 30 TYR O CD1 1 ? ? +19489 ATOM C CE2 . TYR M 13 27 ? 53.582 -7.530 -90.593 1.00 83.72 ? 30 TYR O CE2 1 ? ? +19490 ATOM C CE1 . TYR M 13 27 ? 55.555 -8.864 -90.352 1.00 84.56 ? 30 TYR O CE1 1 ? ? +19491 ATOM C CZ . TYR M 13 27 ? 54.280 -8.690 -90.865 1.00 84.01 ? 30 TYR O CZ 1 ? ? +19492 ATOM O OH . TYR M 13 27 ? 53.691 -9.647 -91.661 1.00 83.47 ? 30 TYR O OH 1 ? ? +19493 ATOM C C . TYR M 13 27 ? 56.314 -4.003 -90.294 1.00 90.62 ? 30 TYR O C 1 ? ? +19494 ATOM O O . TYR M 13 27 ? 55.241 -3.425 -90.099 1.00 89.81 ? 30 TYR O O 1 ? ? +19495 ATOM N N . PRO M 13 28 ? 56.886 -4.026 -91.525 1.00 92.04 ? 31 PRO O N 1 ? ? +19496 ATOM C CA . PRO M 13 28 ? 56.351 -3.231 -92.630 1.00 92.52 ? 31 PRO O CA 1 ? ? +19497 ATOM C CB . PRO M 13 28 ? 57.410 -3.397 -93.729 1.00 93.85 ? 31 PRO O CB 1 ? ? +19498 ATOM C CG . PRO M 13 28 ? 58.080 -4.710 -93.412 1.00 93.81 ? 31 PRO O CG 1 ? ? +19499 ATOM C CD . PRO M 13 28 ? 58.073 -4.814 -91.913 1.00 93.02 ? 31 PRO O CD 1 ? ? +19500 ATOM C C . PRO M 13 28 ? 54.968 -3.692 -93.083 1.00 91.40 ? 31 PRO O C 1 ? ? +19501 ATOM O O . PRO M 13 28 ? 54.746 -4.878 -93.313 1.00 90.00 ? 31 PRO O O 1 ? ? +19502 ATOM N N . ILE M 13 29 ? 54.049 -2.727 -93.198 1.00 91.88 ? 32 ILE O N 1 ? ? +19503 ATOM C CA . ILE M 13 29 ? 52.730 -2.966 -93.752 1.00 92.31 ? 32 ILE O CA 1 ? ? +19504 ATOM C CB . ILE M 13 29 ? 51.637 -2.227 -92.940 1.00 91.37 ? 32 ILE O CB 1 ? ? +19505 ATOM C CG1 . ILE M 13 29 ? 51.434 -2.887 -91.560 1.00 90.36 ? 32 ILE O CG1 1 ? ? +19506 ATOM C CG2 . ILE M 13 29 ? 50.320 -2.141 -93.705 1.00 90.76 ? 32 ILE O CG2 1 ? ? +19507 ATOM C CD1 . ILE M 13 29 ? 51.505 -4.455 -91.555 1.00 90.19 ? 32 ILE O CD1 1 ? ? +19508 ATOM C C . ILE M 13 29 ? 52.729 -2.548 -95.216 1.00 94.64 ? 32 ILE O C 1 ? ? +19509 ATOM O O . ILE M 13 29 ? 53.032 -1.400 -95.534 1.00 96.72 ? 32 ILE O O 1 ? ? +19510 ATOM N N . ASP M 13 30 ? 52.385 -3.503 -96.087 1.00 95.39 ? 33 ASP O N 1 ? ? +19511 ATOM C CA . ASP M 13 30 ? 52.168 -3.242 -97.499 1.00 96.73 ? 33 ASP O CA 1 ? ? +19512 ATOM C CB . ASP M 13 30 ? 52.718 -4.415 -98.321 1.00 97.10 ? 33 ASP O CB 1 ? ? +19513 ATOM C CG . ASP M 13 30 ? 52.639 -4.222 -99.813 1.00 98.71 ? 33 ASP O CG 1 ? ? +19514 ATOM O OD1 . ASP M 13 30 ? 51.928 -3.296 -100.256 1.00 99.20 ? 33 ASP O OD1 1 ? ? +19515 ATOM O OD2 . ASP M 13 30 ? 53.312 -4.983 -100.546 1.00 99.76 ? 33 ASP O OD2 1 ? ? +19516 ATOM C C . ASP M 13 30 ? 50.672 -3.050 -97.741 1.00 96.66 ? 33 ASP O C 1 ? ? +19517 ATOM O O . ASP M 13 30 ? 49.912 -4.007 -97.659 1.00 96.28 ? 33 ASP O O 1 ? ? +19518 ATOM N N . SER M 13 31 ? 50.241 -1.820 -98.047 1.00 97.05 ? 34 SER O N 1 ? ? +19519 ATOM C CA . SER M 13 31 ? 48.814 -1.537 -98.156 1.00 96.09 ? 34 SER O CA 1 ? ? +19520 ATOM C CB . SER M 13 31 ? 48.539 -0.027 -98.184 1.00 96.51 ? 34 SER O CB 1 ? ? +19521 ATOM O OG . SER M 13 31 ? 49.282 0.701 -99.148 1.00 97.97 ? 34 SER O OG 1 ? ? +19522 ATOM C C . SER M 13 31 ? 48.117 -2.254 -99.318 1.00 95.49 ? 34 SER O C 1 ? ? +19523 ATOM O O . SER M 13 31 ? 46.893 -2.245 -99.389 1.00 95.37 ? 34 SER O O 1 ? ? +19524 ATOM N N . SER M 13 32 ? 48.886 -2.915 -100.196 1.00 95.64 ? 35 SER O N 1 ? ? +19525 ATOM C CA . SER M 13 32 ? 48.322 -3.758 -101.241 1.00 95.46 ? 35 SER O CA 1 ? ? +19526 ATOM C CB . SER M 13 32 ? 49.247 -3.785 -102.459 1.00 96.08 ? 35 SER O CB 1 ? ? +19527 ATOM O OG . SER M 13 32 ? 50.466 -4.452 -102.180 1.00 95.72 ? 35 SER O OG 1 ? ? +19528 ATOM C C . SER M 13 32 ? 48.055 -5.197 -100.797 1.00 94.91 ? 35 SER O C 1 ? ? +19529 ATOM O O . SER M 13 32 ? 47.569 -6.007 -101.582 1.00 95.67 ? 35 SER O O 1 ? ? +19530 ATOM N N . GLN M 13 33 ? 48.389 -5.516 -99.540 1.00 94.01 ? 36 GLN O N 1 ? ? +19531 ATOM C CA . GLN M 13 33 ? 48.366 -6.879 -99.027 1.00 92.29 ? 36 GLN O CA 1 ? ? +19532 ATOM C CB . GLN M 13 33 ? 49.786 -7.212 -98.499 1.00 92.94 ? 36 GLN O CB 1 ? ? +19533 ATOM C CG . GLN M 13 33 ? 50.042 -8.624 -98.009 1.00 92.99 ? 36 GLN O CG 1 ? ? +19534 ATOM C CD . GLN M 13 33 ? 50.188 -9.631 -99.119 1.00 94.36 ? 36 GLN O CD 1 ? ? +19535 ATOM O OE1 . GLN M 13 33 ? 51.020 -9.490 -100.029 1.00 96.08 ? 36 GLN O OE1 1 ? ? +19536 ATOM N NE2 . GLN M 13 33 ? 49.397 -10.685 -99.056 1.00 93.94 ? 36 GLN O NE2 1 ? ? +19537 ATOM C C . GLN M 13 33 ? 47.300 -6.998 -97.936 1.00 89.18 ? 36 GLN O C 1 ? ? +19538 ATOM O O . GLN M 13 33 ? 46.980 -6.019 -97.260 1.00 88.00 ? 36 GLN O O 1 ? ? +19539 ATOM N N . THR M 13 34 ? 46.744 -8.205 -97.796 1.00 87.24 ? 37 THR O N 1 ? ? +19540 ATOM C CA . THR M 13 34 ? 45.755 -8.485 -96.764 1.00 85.26 ? 37 THR O CA 1 ? ? +19541 ATOM C CB . THR M 13 34 ? 44.551 -9.230 -97.361 1.00 85.37 ? 37 THR O CB 1 ? ? +19542 ATOM O OG1 . THR M 13 34 ? 45.008 -10.393 -98.044 1.00 86.26 ? 37 THR O OG1 1 ? ? +19543 ATOM C CG2 . THR M 13 34 ? 43.788 -8.373 -98.341 1.00 85.87 ? 37 THR O CG2 1 ? ? +19544 ATOM C C . THR M 13 34 ? 46.413 -9.267 -95.631 1.00 82.91 ? 37 THR O C 1 ? ? +19545 ATOM O O . THR M 13 34 ? 47.066 -10.279 -95.880 1.00 83.48 ? 37 THR O O 1 ? ? +19546 ATOM N N . TYR M 13 35 ? 46.245 -8.784 -94.392 1.00 80.19 ? 38 TYR O N 1 ? ? +19547 ATOM C CA . TYR M 13 35 ? 46.956 -9.324 -93.243 1.00 78.08 ? 38 TYR O CA 1 ? ? +19548 ATOM C CB . TYR M 13 35 ? 47.769 -8.220 -92.553 1.00 77.99 ? 38 TYR O CB 1 ? ? +19549 ATOM C CG . TYR M 13 35 ? 48.957 -7.709 -93.341 1.00 78.65 ? 38 TYR O CG 1 ? ? +19550 ATOM C CD1 . TYR M 13 35 ? 50.173 -8.372 -93.310 1.00 78.87 ? 38 TYR O CD1 1 ? ? +19551 ATOM C CD2 . TYR M 13 35 ? 48.862 -6.559 -94.114 1.00 79.06 ? 38 TYR O CD2 1 ? ? +19552 ATOM C CE1 . TYR M 13 35 ? 51.272 -7.898 -94.017 1.00 79.95 ? 38 TYR O CE1 1 ? ? +19553 ATOM C CE2 . TYR M 13 35 ? 49.952 -6.076 -94.824 1.00 80.23 ? 38 TYR O CE2 1 ? ? +19554 ATOM C CZ . TYR M 13 35 ? 51.158 -6.750 -94.776 1.00 80.71 ? 38 TYR O CZ 1 ? ? +19555 ATOM O OH . TYR M 13 35 ? 52.250 -6.288 -95.479 1.00 82.34 ? 38 TYR O OH 1 ? ? +19556 ATOM C C . TYR M 13 35 ? 46.006 -9.967 -92.236 1.00 76.29 ? 38 TYR O C 1 ? ? +19557 ATOM O O . TYR M 13 35 ? 44.821 -9.630 -92.179 1.00 76.22 ? 38 TYR O O 1 ? ? +19558 ATOM N N A ARG M 13 36 ? 46.555 -10.875 -91.421 0.50 75.28 ? 39 ARG O N 1 ? ? +19559 ATOM N N B ARG M 13 36 ? 46.554 -10.890 -91.437 0.50 75.43 ? 39 ARG O N 1 ? ? +19560 ATOM C CA A ARG M 13 36 ? 45.772 -11.589 -90.427 0.50 73.71 ? 39 ARG O CA 1 ? ? +19561 ATOM C CA B ARG M 13 36 ? 45.810 -11.631 -90.431 0.50 73.94 ? 39 ARG O CA 1 ? ? +19562 ATOM C C A ARG M 13 36 ? 46.525 -11.655 -89.101 0.50 72.95 ? 39 ARG O C 1 ? ? +19563 ATOM C C B ARG M 13 36 ? 46.540 -11.628 -89.094 0.50 73.08 ? 39 ARG O C 1 ? ? +19564 ATOM O O A ARG M 13 36 ? 47.736 -11.845 -89.081 0.50 73.59 ? 39 ARG O O 1 ? ? +19565 ATOM O O B ARG M 13 36 ? 47.751 -11.814 -89.064 0.50 73.69 ? 39 ARG O O 1 ? ? +19566 ATOM C CB A ARG M 13 36 ? 45.417 -12.998 -90.948 0.50 73.42 ? 39 ARG O CB 1 ? ? +19567 ATOM C CB B ARG M 13 36 ? 45.684 -13.108 -90.828 0.50 73.85 ? 39 ARG O CB 1 ? ? +19568 ATOM C CG A ARG M 13 36 ? 44.131 -13.553 -90.317 0.50 72.48 ? 39 ARG O CG 1 ? ? +19569 ATOM C CG B ARG M 13 36 ? 44.365 -13.528 -91.386 0.50 73.74 ? 39 ARG O CG 1 ? ? +19570 ATOM C CD A ARG M 13 36 ? 43.663 -14.884 -90.914 0.50 72.22 ? 39 ARG O CD 1 ? ? +19571 ATOM C CD B ARG M 13 36 ? 43.888 -14.823 -90.736 0.50 73.13 ? 39 ARG O CD 1 ? ? +19572 ATOM N NE A ARG M 13 36 ? 42.433 -15.370 -90.295 0.50 70.91 ? 39 ARG O NE 1 ? ? +19573 ATOM N NE B ARG M 13 36 ? 44.708 -16.002 -91.005 0.50 73.33 ? 39 ARG O NE 1 ? ? +19574 ATOM C CZ A ARG M 13 36 ? 41.238 -14.837 -90.491 0.50 70.55 ? 39 ARG O CZ 1 ? ? +19575 ATOM C CZ B ARG M 13 36 ? 45.130 -16.842 -90.066 0.50 72.69 ? 39 ARG O CZ 1 ? ? +19576 ATOM N NH1 A ARG M 13 36 ? 41.042 -13.908 -91.411 0.50 71.10 ? 39 ARG O NH1 1 ? ? +19577 ATOM N NH1 B ARG M 13 36 ? 46.417 -16.994 -89.800 0.50 72.87 ? 39 ARG O NH1 1 ? ? +19578 ATOM N NH2 A ARG M 13 36 ? 40.211 -15.259 -89.760 0.50 69.76 ? 39 ARG O NH2 1 ? ? +19579 ATOM N NH2 B ARG M 13 36 ? 44.245 -17.634 -89.464 0.50 71.88 ? 39 ARG O NH2 1 ? ? +19580 ATOM N N . ILE M 13 37 ? 45.799 -11.462 -87.994 1.00 71.74 ? 40 ILE O N 1 ? ? +19581 ATOM C CA . ILE M 13 37 ? 46.317 -11.783 -86.671 1.00 70.70 ? 40 ILE O CA 1 ? ? +19582 ATOM C CB . ILE M 13 37 ? 45.750 -10.876 -85.557 1.00 69.92 ? 40 ILE O CB 1 ? ? +19583 ATOM C CG1 . ILE M 13 37 ? 46.207 -9.415 -85.788 1.00 70.55 ? 40 ILE O CG1 1 ? ? +19584 ATOM C CG2 . ILE M 13 37 ? 46.144 -11.364 -84.163 1.00 69.17 ? 40 ILE O CG2 1 ? ? +19585 ATOM C CD1 . ILE M 13 37 ? 45.891 -8.468 -84.662 1.00 70.02 ? 40 ILE O CD1 1 ? ? +19586 ATOM C C . ILE M 13 37 ? 46.024 -13.267 -86.445 1.00 69.51 ? 40 ILE O C 1 ? ? +19587 ATOM O O . ILE M 13 37 ? 44.872 -13.647 -86.247 1.00 68.66 ? 40 ILE O O 1 ? ? +19588 ATOM N N . ALA M 13 38 ? 47.079 -14.094 -86.513 1.00 69.09 ? 41 ALA O N 1 ? ? +19589 ATOM C CA . ALA M 13 38 ? 46.949 -15.541 -86.413 1.00 67.99 ? 41 ALA O CA 1 ? ? +19590 ATOM C CB . ALA M 13 38 ? 48.198 -16.220 -86.955 1.00 68.59 ? 41 ALA O CB 1 ? ? +19591 ATOM C C . ALA M 13 38 ? 46.702 -16.001 -84.979 1.00 66.44 ? 41 ALA O C 1 ? ? +19592 ATOM O O . ALA M 13 38 ? 46.015 -16.997 -84.759 1.00 65.85 ? 41 ALA O O 1 ? ? +19593 ATOM N N . ARG M 13 39 ? 47.291 -15.275 -84.021 1.00 65.71 ? 42 ARG O N 1 ? ? +19594 ATOM C CA . ARG M 13 39 ? 47.170 -15.588 -82.609 1.00 64.48 ? 42 ARG O CA 1 ? ? +19595 ATOM C CB . ARG M 13 39 ? 48.287 -16.542 -82.160 1.00 64.36 ? 42 ARG O CB 1 ? ? +19596 ATOM C CG . ARG M 13 39 ? 48.181 -16.923 -80.709 1.00 63.33 ? 42 ARG O CG 1 ? ? +19597 ATOM C CD . ARG M 13 39 ? 49.305 -17.819 -80.237 1.00 63.30 ? 42 ARG O CD 1 ? ? +19598 ATOM N NE . ARG M 13 39 ? 49.177 -18.059 -78.805 1.00 62.44 ? 42 ARG O NE 1 ? ? +19599 ATOM C CZ . ARG M 13 39 ? 50.059 -18.694 -78.062 1.00 62.30 ? 42 ARG O CZ 1 ? ? +19600 ATOM N NH1 . ARG M 13 39 ? 51.166 -19.178 -78.581 1.00 63.23 ? 42 ARG O NH1 1 ? ? +19601 ATOM N NH2 . ARG M 13 39 ? 49.825 -18.849 -76.764 1.00 61.52 ? 42 ARG O NH2 1 ? ? +19602 ATOM C C . ARG M 13 39 ? 47.249 -14.306 -81.791 1.00 64.26 ? 42 ARG O C 1 ? ? +19603 ATOM O O . ARG M 13 39 ? 48.257 -13.609 -81.845 1.00 64.94 ? 42 ARG O O 1 ? ? +19604 ATOM N N . LEU M 13 40 ? 46.174 -14.007 -81.051 1.00 63.42 ? 43 LEU O N 1 ? ? +19605 ATOM C CA . LEU M 13 40 ? 46.172 -12.917 -80.089 1.00 63.11 ? 43 LEU O CA 1 ? ? +19606 ATOM C CB . LEU M 13 40 ? 45.122 -11.855 -80.424 1.00 62.96 ? 43 LEU O CB 1 ? ? +19607 ATOM C CG . LEU M 13 40 ? 44.917 -10.775 -79.370 1.00 62.64 ? 43 LEU O CG 1 ? ? +19608 ATOM C CD1 . LEU M 13 40 ? 46.170 -9.913 -79.186 1.00 63.33 ? 43 LEU O CD1 1 ? ? +19609 ATOM C CD2 . LEU M 13 40 ? 43.741 -9.890 -79.723 1.00 62.47 ? 43 LEU O CD2 1 ? ? +19610 ATOM C C . LEU M 13 40 ? 45.927 -13.496 -78.699 1.00 62.29 ? 43 LEU O C 1 ? ? +19611 ATOM O O . LEU M 13 40 ? 44.978 -14.252 -78.485 1.00 61.71 ? 43 LEU O O 1 ? ? +19612 ATOM N N . CYS M 13 41 ? 46.807 -13.118 -77.767 1.00 62.33 ? 44 CYS O N 1 ? ? +19613 ATOM C CA . CYS M 13 41 ? 46.838 -13.678 -76.429 1.00 61.69 ? 44 CYS O CA 1 ? ? +19614 ATOM C CB . CYS M 13 41 ? 48.084 -14.546 -76.256 1.00 62.04 ? 44 CYS O CB 1 ? ? +19615 ATOM S SG . CYS M 13 41 ? 48.131 -15.521 -74.727 1.00 61.22 ? 44 CYS O SG 1 ? ? +19616 ATOM C C . CYS M 13 41 ? 46.814 -12.514 -75.443 1.00 61.63 ? 44 CYS O C 1 ? ? +19617 ATOM O O . CYS M 13 41 ? 47.605 -11.580 -75.571 1.00 62.05 ? 44 CYS O O 1 ? ? +19618 ATOM N N . LEU M 13 42 ? 45.877 -12.570 -74.485 1.00 60.93 ? 45 LEU O N 1 ? ? +19619 ATOM C CA . LEU M 13 42 ? 45.779 -11.558 -73.447 1.00 60.96 ? 45 LEU O CA 1 ? ? +19620 ATOM C CB . LEU M 13 42 ? 44.484 -10.770 -73.531 1.00 60.91 ? 45 LEU O CB 1 ? ? +19621 ATOM C CG . LEU M 13 42 ? 44.288 -9.881 -74.746 1.00 61.75 ? 45 LEU O CG 1 ? ? +19622 ATOM C CD1 . LEU M 13 42 ? 43.884 -10.674 -75.957 1.00 62.07 ? 45 LEU O CD1 1 ? ? +19623 ATOM C CD2 . LEU M 13 42 ? 43.200 -8.844 -74.499 1.00 61.46 ? 45 LEU O CD2 1 ? ? +19624 ATOM C C . LEU M 13 42 ? 45.863 -12.238 -72.086 1.00 60.47 ? 45 LEU O C 1 ? ? +19625 ATOM O O . LEU M 13 42 ? 45.062 -13.116 -71.781 1.00 60.20 ? 45 LEU O O 1 ? ? +19626 ATOM N N . GLN M 13 43 ? 46.843 -11.814 -71.278 1.00 60.72 ? 46 GLN O N 1 ? ? +19627 ATOM C CA . GLN M 13 43 ? 47.058 -12.354 -69.949 1.00 60.22 ? 46 GLN O CA 1 ? ? +19628 ATOM C CB . GLN M 13 43 ? 48.463 -12.927 -69.853 1.00 60.75 ? 46 GLN O CB 1 ? ? +19629 ATOM C CG . GLN M 13 43 ? 48.856 -13.401 -68.462 1.00 60.40 ? 46 GLN O CG 1 ? ? +19630 ATOM C CD . GLN M 13 43 ? 50.346 -13.633 -68.407 1.00 61.15 ? 46 GLN O CD 1 ? ? +19631 ATOM O OE1 . GLN M 13 43 ? 50.966 -14.087 -69.369 1.00 61.52 ? 46 GLN O OE1 1 ? ? +19632 ATOM N NE2 . GLN M 13 43 ? 50.951 -13.267 -67.298 1.00 61.25 ? 46 GLN O NE2 1 ? ? +19633 ATOM C C . GLN M 13 43 ? 46.850 -11.242 -68.926 1.00 60.05 ? 46 GLN O C 1 ? ? +19634 ATOM O O . GLN M 13 43 ? 47.675 -10.343 -68.813 1.00 60.34 ? 46 GLN O O 1 ? ? +19635 ATOM N N . PRO M 13 44 ? 45.744 -11.259 -68.149 1.00 59.45 ? 47 PRO O N 1 ? ? +19636 ATOM C CA . PRO M 13 44 ? 45.531 -10.248 -67.115 1.00 59.51 ? 47 PRO O CA 1 ? ? +19637 ATOM C CB . PRO M 13 44 ? 44.096 -10.509 -66.663 1.00 58.54 ? 47 PRO O CB 1 ? ? +19638 ATOM C CG . PRO M 13 44 ? 43.860 -11.952 -66.982 1.00 58.19 ? 47 PRO O CG 1 ? ? +19639 ATOM C CD . PRO M 13 44 ? 44.686 -12.281 -68.185 1.00 58.78 ? 47 PRO O CD 1 ? ? +19640 ATOM C C . PRO M 13 44 ? 46.544 -10.455 -65.994 1.00 60.17 ? 47 PRO O C 1 ? ? +19641 ATOM O O . PRO M 13 44 ? 46.919 -11.588 -65.709 1.00 60.70 ? 47 PRO O O 1 ? ? +19642 ATOM N N . THR M 13 45 ? 47.016 -9.360 -65.391 1.00 60.59 ? 48 THR O N 1 ? ? +19643 ATOM C CA . THR M 13 45 ? 47.886 -9.451 -64.230 1.00 60.66 ? 48 THR O CA 1 ? ? +19644 ATOM C CB . THR M 13 45 ? 49.245 -8.812 -64.465 1.00 61.29 ? 48 THR O CB 1 ? ? +19645 ATOM O OG1 . THR M 13 45 ? 49.059 -7.409 -64.632 1.00 61.38 ? 48 THR O OG1 1 ? ? +19646 ATOM C CG2 . THR M 13 45 ? 49.955 -9.402 -65.663 1.00 61.83 ? 48 THR O CG2 1 ? ? +19647 ATOM C C . THR M 13 45 ? 47.248 -8.802 -63.013 1.00 60.50 ? 48 THR O C 1 ? ? +19648 ATOM O O . THR M 13 45 ? 47.557 -9.194 -61.897 1.00 60.58 ? 48 THR O O 1 ? ? +19649 ATOM N N . THR M 13 46 ? 46.375 -7.813 -63.226 1.00 60.80 ? 49 THR O N 1 ? ? +19650 ATOM C CA . THR M 13 46 ? 45.727 -7.153 -62.108 1.00 60.87 ? 49 THR O CA 1 ? ? +19651 ATOM C CB . THR M 13 46 ? 46.520 -5.893 -61.697 1.00 61.87 ? 49 THR O CB 1 ? ? +19652 ATOM O OG1 . THR M 13 46 ? 45.862 -4.732 -62.198 1.00 62.98 ? 49 THR O OG1 1 ? ? +19653 ATOM C CG2 . THR M 13 46 ? 47.982 -5.893 -62.169 1.00 62.70 ? 49 THR O CG2 1 ? ? +19654 ATOM C C . THR M 13 46 ? 44.268 -6.840 -62.439 1.00 60.35 ? 49 THR O C 1 ? ? +19655 ATOM O O . THR M 13 46 ? 43.940 -6.464 -63.559 1.00 60.78 ? 49 THR O O 1 ? ? +19656 ATOM N N . PHE M 13 47 ? 43.399 -7.003 -61.443 1.00 59.63 ? 50 PHE O N 1 ? ? +19657 ATOM C CA . PHE M 13 47 ? 41.992 -6.671 -61.574 1.00 59.24 ? 50 PHE O CA 1 ? ? +19658 ATOM C CB . PHE M 13 47 ? 41.123 -7.903 -61.335 1.00 58.07 ? 50 PHE O CB 1 ? ? +19659 ATOM C CG . PHE M 13 47 ? 41.250 -8.973 -62.384 1.00 57.87 ? 50 PHE O CG 1 ? ? +19660 ATOM C CD1 . PHE M 13 47 ? 40.467 -8.945 -63.522 1.00 57.81 ? 50 PHE O CD1 1 ? ? +19661 ATOM C CD2 . PHE M 13 47 ? 42.168 -10.001 -62.242 1.00 57.92 ? 50 PHE O CD2 1 ? ? +19662 ATOM C CE1 . PHE M 13 47 ? 40.594 -9.929 -64.499 1.00 57.91 ? 50 PHE O CE1 1 ? ? +19663 ATOM C CE2 . PHE M 13 47 ? 42.292 -10.991 -63.215 1.00 57.93 ? 50 PHE O CE2 1 ? ? +19664 ATOM C CZ . PHE M 13 47 ? 41.514 -10.945 -64.346 1.00 57.98 ? 50 PHE O CZ 1 ? ? +19665 ATOM C C . PHE M 13 47 ? 41.666 -5.585 -60.556 1.00 59.79 ? 50 PHE O C 1 ? ? +19666 ATOM O O . PHE M 13 47 ? 41.880 -5.781 -59.367 1.00 59.72 ? 50 PHE O O 1 ? ? +19667 ATOM N N . LEU M 13 48 ? 41.177 -4.439 -61.033 1.00 60.83 ? 51 LEU O N 1 ? ? +19668 ATOM C CA . LEU M 13 48 ? 40.818 -3.333 -60.166 1.00 61.50 ? 51 LEU O CA 1 ? ? +19669 ATOM C CB . LEU M 13 48 ? 41.579 -2.079 -60.578 1.00 62.58 ? 51 LEU O CB 1 ? ? +19670 ATOM C CG . LEU M 13 48 ? 43.113 -2.208 -60.631 1.00 63.51 ? 51 LEU O CG 1 ? ? +19671 ATOM C CD1 . LEU M 13 48 ? 43.730 -1.028 -61.326 1.00 64.20 ? 51 LEU O CD1 1 ? ? +19672 ATOM C CD2 . LEU M 13 48 ? 43.699 -2.343 -59.231 1.00 63.52 ? 51 LEU O CD2 1 ? ? +19673 ATOM C C . LEU M 13 48 ? 39.314 -3.107 -60.278 1.00 62.15 ? 51 LEU O C 1 ? ? +19674 ATOM O O . LEU M 13 48 ? 38.764 -3.113 -61.376 1.00 61.74 ? 51 LEU O O 1 ? ? +19675 ATOM N N . VAL M 13 49 ? 38.660 -2.914 -59.131 1.00 63.23 ? 52 VAL O N 1 ? ? +19676 ATOM C CA . VAL M 13 49 ? 37.236 -2.635 -59.085 1.00 64.18 ? 52 VAL O CA 1 ? ? +19677 ATOM C CB . VAL M 13 49 ? 36.496 -3.683 -58.242 1.00 62.57 ? 52 VAL O CB 1 ? ? +19678 ATOM C CG1 . VAL M 13 49 ? 35.034 -3.297 -58.031 1.00 62.32 ? 52 VAL O CG1 1 ? ? +19679 ATOM C CG2 . VAL M 13 49 ? 36.606 -5.065 -58.870 1.00 62.01 ? 52 VAL O CG2 1 ? ? +19680 ATOM C C . VAL M 13 49 ? 37.037 -1.224 -58.544 1.00 67.34 ? 52 VAL O C 1 ? ? +19681 ATOM O O . VAL M 13 49 ? 37.646 -0.851 -57.550 1.00 66.37 ? 52 VAL O O 1 ? ? +19682 ATOM N N . LYS M 13 50 ? 36.171 -0.453 -59.215 1.00 72.48 ? 53 LYS O N 1 ? ? +19683 ATOM C CA . LYS M 13 50 ? 35.801 0.881 -58.771 1.00 76.73 ? 53 LYS O CA 1 ? ? +19684 ATOM C CB . LYS M 13 50 ? 35.122 1.654 -59.911 1.00 77.83 ? 53 LYS O CB 1 ? ? +19685 ATOM C CG . LYS M 13 50 ? 34.716 3.073 -59.530 1.00 79.55 ? 53 LYS O CG 1 ? ? +19686 ATOM C CD . LYS M 13 50 ? 33.982 3.835 -60.629 1.00 81.13 ? 53 LYS O CD 1 ? ? +19687 ATOM C CE . LYS M 13 50 ? 34.914 4.278 -61.729 1.00 83.63 ? 53 LYS O CE 1 ? ? +19688 ATOM N NZ . LYS M 13 50 ? 34.211 5.068 -62.765 1.00 84.89 ? 53 LYS O NZ 1 ? ? +19689 ATOM C C . LYS M 13 50 ? 34.867 0.783 -57.567 1.00 79.69 ? 53 LYS O C 1 ? ? +19690 ATOM O O . LYS M 13 50 ? 33.883 0.047 -57.611 1.00 78.66 ? 53 LYS O O 1 ? ? +19691 ATOM N N . GLU M 13 51 ? 35.206 1.529 -56.504 1.00 88.35 ? 54 GLU O N 1 ? ? +19692 ATOM C CA . GLU M 13 51 ? 34.360 1.699 -55.331 1.00 97.34 ? 54 GLU O CA 1 ? ? +19693 ATOM C CB . GLU M 13 51 ? 35.197 2.125 -54.074 1.00 103.54 ? 54 GLU O CB 1 ? ? +19694 ATOM C CG . GLU M 13 51 ? 35.978 3.442 -54.210 1.00 110.90 ? 54 GLU O CG 1 ? ? +19695 ATOM C CD . GLU M 13 51 ? 36.736 3.918 -52.981 1.00 116.33 ? 54 GLU O CD 1 ? ? +19696 ATOM O OE1 . GLU M 13 51 ? 37.203 3.053 -52.206 1.00 114.81 ? 54 GLU O OE1 1 ? ? +19697 ATOM O OE2 . GLU M 13 51 ? 36.907 5.150 -52.815 1.00 119.67 ? 54 GLU O OE2 1 ? ? +19698 ATOM C C . GLU M 13 51 ? 33.284 2.746 -55.620 1.00 100.41 ? 54 GLU O C 1 ? ? +19699 ATOM O O . GLU M 13 51 ? 33.549 3.747 -56.279 1.00 102.23 ? 54 GLU O O 1 ? ? +19700 ATOM N N . GLU M 13 52 ? 32.067 2.521 -55.117 1.00 105.16 ? 55 GLU O N 1 ? ? +19701 ATOM C CA . GLU M 13 52 ? 30.982 3.479 -55.294 1.00 111.85 ? 55 GLU O CA 1 ? ? +19702 ATOM C CB . GLU M 13 52 ? 29.604 2.805 -55.550 1.00 113.24 ? 55 GLU O CB 1 ? ? +19703 ATOM C CG . GLU M 13 52 ? 29.666 1.399 -56.130 1.00 112.57 ? 55 GLU O CG 1 ? ? +19704 ATOM C CD . GLU M 13 52 ? 29.794 0.334 -55.063 1.00 115.32 ? 55 GLU O CD 1 ? ? +19705 ATOM O OE1 . GLU M 13 52 ? 28.774 0.035 -54.399 1.00 110.24 ? 55 GLU O OE1 1 ? ? +19706 ATOM O OE2 . GLU M 13 52 ? 30.927 -0.167 -54.863 1.00 120.41 ? 55 GLU O OE2 1 ? ? +19707 ATOM C C . GLU M 13 52 ? 30.907 4.344 -54.036 1.00 113.63 ? 55 GLU O C 1 ? ? +19708 ATOM O O . GLU M 13 52 ? 30.615 3.818 -52.963 1.00 108.38 ? 55 GLU O O 1 ? ? +19709 ATOM N N . PRO M 13 53 ? 31.188 5.673 -54.097 1.00 119.64 ? 56 PRO O N 1 ? ? +19710 ATOM C CA . PRO M 13 53 ? 31.061 6.530 -52.915 1.00 121.30 ? 56 PRO O CA 1 ? ? +19711 ATOM C CB . PRO M 13 53 ? 31.720 7.853 -53.357 1.00 122.08 ? 56 PRO O CB 1 ? ? +19712 ATOM C CG . PRO M 13 53 ? 32.517 7.513 -54.611 1.00 122.07 ? 56 PRO O CG 1 ? ? +19713 ATOM C CD . PRO M 13 53 ? 31.711 6.415 -55.260 1.00 120.74 ? 56 PRO O CD 1 ? ? +19714 ATOM C C . PRO M 13 53 ? 29.605 6.712 -52.486 1.00 121.22 ? 56 PRO O C 1 ? ? +19715 ATOM O O . PRO M 13 53 ? 28.692 6.530 -53.290 1.00 121.68 ? 56 PRO O O 1 ? ? +19716 ATOM N N . LYS M 13 54 ? 29.408 7.067 -51.210 1.00 121.24 ? 57 LYS O N 1 ? ? +19717 ATOM C CA . LYS M 13 54 ? 28.080 7.261 -50.647 1.00 118.61 ? 57 LYS O CA 1 ? ? +19718 ATOM C CB . LYS M 13 54 ? 28.143 7.177 -49.108 1.00 111.48 ? 57 LYS O CB 1 ? ? +19719 ATOM C CG . LYS M 13 54 ? 28.096 5.738 -48.580 1.00 107.02 ? 57 LYS O CG 1 ? ? +19720 ATOM C CD . LYS M 13 54 ? 28.653 5.566 -47.163 1.00 104.62 ? 57 LYS O CD 1 ? ? +19721 ATOM C CE . LYS M 13 54 ? 27.731 6.049 -46.058 1.00 102.03 ? 57 LYS O CE 1 ? ? +19722 ATOM N NZ . LYS M 13 54 ? 28.348 5.894 -44.713 1.00 98.28 ? 57 LYS O NZ 1 ? ? +19723 ATOM C C . LYS M 13 54 ? 27.440 8.577 -51.094 1.00 123.80 ? 57 LYS O C 1 ? ? +19724 ATOM O O . LYS M 13 54 ? 26.251 8.607 -51.404 1.00 122.62 ? 57 LYS O O 1 ? ? +19725 ATOM N N . ASN M 13 55 ? 28.229 9.661 -51.122 1.00 128.63 ? 58 ASN O N 1 ? ? +19726 ATOM C CA . ASN M 13 55 ? 27.704 10.975 -51.478 1.00 133.37 ? 58 ASN O CA 1 ? ? +19727 ATOM C CB . ASN M 13 55 ? 28.474 12.082 -50.772 1.00 132.42 ? 58 ASN O CB 1 ? ? +19728 ATOM C CG . ASN M 13 55 ? 29.942 12.003 -50.989 1.00 132.59 ? 58 ASN O CG 1 ? ? +19729 ATOM O OD1 . ASN M 13 55 ? 30.462 11.095 -51.643 1.00 133.37 ? 58 ASN O OD1 1 ? ? +19730 ATOM N ND2 . ASN M 13 55 ? 30.648 12.966 -50.447 1.00 135.56 ? 58 ASN O ND2 1 ? ? +19731 ATOM C C . ASN M 13 55 ? 27.710 11.233 -52.985 1.00 138.03 ? 58 ASN O C 1 ? ? +19732 ATOM O O . ASN M 13 55 ? 27.039 12.146 -53.464 1.00 141.94 ? 58 ASN O O 1 ? ? +19733 ATOM N N . LYS M 13 56 ? 28.498 10.434 -53.717 1.00 137.40 ? 59 LYS O N 1 ? ? +19734 ATOM C CA . LYS M 13 56 ? 28.654 10.528 -55.163 1.00 137.82 ? 59 LYS O CA 1 ? ? +19735 ATOM C CB . LYS M 13 56 ? 27.283 10.550 -55.899 1.00 137.34 ? 59 LYS O CB 1 ? ? +19736 ATOM C CG . LYS M 13 56 ? 26.454 9.255 -55.759 1.00 137.35 ? 59 LYS O CG 1 ? ? +19737 ATOM C CD . LYS M 13 56 ? 25.455 9.310 -54.591 1.00 137.52 ? 59 LYS O CD 1 ? ? +19738 ATOM C CE . LYS M 13 56 ? 24.595 8.068 -54.430 1.00 135.69 ? 59 LYS O CE 1 ? ? +19739 ATOM N NZ . LYS M 13 56 ? 25.366 6.924 -53.879 1.00 136.50 ? 59 LYS O NZ 1 ? ? +19740 ATOM C C . LYS M 13 56 ? 29.535 11.708 -55.589 1.00 137.31 ? 59 LYS O C 1 ? ? +19741 ATOM O O . LYS M 13 56 ? 30.144 11.658 -56.656 1.00 135.24 ? 59 LYS O O 1 ? ? +19742 ATOM N N . ARG M 13 57 ? 29.654 12.740 -54.737 1.00 136.67 ? 60 ARG O N 1 ? ? +19743 ATOM C CA . ARG M 13 57 ? 30.446 13.917 -55.063 1.00 137.74 ? 60 ARG O CA 1 ? ? +19744 ATOM C CB . ARG M 13 57 ? 29.882 15.164 -54.360 1.00 139.22 ? 60 ARG O CB 1 ? ? +19745 ATOM C CG . ARG M 13 57 ? 30.085 15.157 -52.856 1.00 140.16 ? 60 ARG O CG 1 ? ? +19746 ATOM C CD . ARG M 13 57 ? 29.924 16.543 -52.262 1.00 139.93 ? 60 ARG O CD 1 ? ? +19747 ATOM N NE . ARG M 13 57 ? 30.158 16.559 -50.823 1.00 140.81 ? 60 ARG O NE 1 ? ? +19748 ATOM C CZ . ARG M 13 57 ? 29.305 16.110 -49.906 1.00 136.14 ? 60 ARG O CZ 1 ? ? +19749 ATOM N NH1 . ARG M 13 57 ? 28.202 15.453 -50.237 1.00 133.17 ? 60 ARG O NH1 1 ? ? +19750 ATOM N NH2 . ARG M 13 57 ? 29.558 16.344 -48.622 1.00 129.96 ? 60 ARG O NH2 1 ? ? +19751 ATOM C C . ARG M 13 57 ? 31.923 13.733 -54.710 1.00 139.26 ? 60 ARG O C 1 ? ? +19752 ATOM O O . ARG M 13 57 ? 32.766 14.490 -55.192 1.00 134.18 ? 60 ARG O O 1 ? ? +19753 ATOM N N . GLN M 13 58 ? 32.226 12.755 -53.839 1.00 141.45 ? 61 GLN O N 1 ? ? +19754 ATOM C CA . GLN M 13 58 ? 33.587 12.267 -53.664 1.00 137.89 ? 61 GLN O CA 1 ? ? +19755 ATOM C CB . GLN M 13 58 ? 33.733 11.298 -52.461 1.00 132.90 ? 61 GLN O CB 1 ? ? +19756 ATOM C CG . GLN M 13 58 ? 33.872 11.923 -51.066 1.00 130.58 ? 61 GLN O CG 1 ? ? +19757 ATOM C CD . GLN M 13 58 ? 34.071 10.844 -50.007 1.00 127.21 ? 61 GLN O CD 1 ? ? +19758 ATOM O OE1 . GLN M 13 58 ? 34.002 9.642 -50.294 1.00 125.40 ? 61 GLN O OE1 1 ? ? +19759 ATOM N NE2 . GLN M 13 58 ? 34.314 11.234 -48.756 1.00 122.75 ? 61 GLN O NE2 1 ? ? +19760 ATOM C C . GLN M 13 58 ? 34.003 11.522 -54.932 1.00 139.46 ? 61 GLN O C 1 ? ? +19761 ATOM O O . GLN M 13 58 ? 33.178 10.853 -55.557 1.00 143.73 ? 61 GLN O O 1 ? ? +19762 ATOM N N . GLU M 13 59 ? 35.288 11.638 -55.290 1.00 136.84 ? 62 GLU O N 1 ? ? +19763 ATOM C CA . GLU M 13 59 ? 35.866 10.915 -56.414 1.00 136.39 ? 62 GLU O CA 1 ? ? +19764 ATOM C CB . GLU M 13 59 ? 37.296 11.454 -56.682 1.00 138.35 ? 62 GLU O CB 1 ? ? +19765 ATOM C CG . GLU M 13 59 ? 38.087 10.687 -57.727 1.00 137.71 ? 62 GLU O CG 1 ? ? +19766 ATOM C CD . GLU M 13 59 ? 37.704 10.986 -59.164 1.00 137.46 ? 62 GLU O CD 1 ? ? +19767 ATOM O OE1 . GLU M 13 59 ? 37.962 12.123 -59.618 1.00 135.32 ? 62 GLU O OE1 1 ? ? +19768 ATOM O OE2 . GLU M 13 59 ? 37.146 10.090 -59.837 1.00 136.19 ? 62 GLU O OE2 1 ? ? +19769 ATOM C C . GLU M 13 59 ? 35.897 9.410 -56.136 1.00 132.95 ? 62 GLU O C 1 ? ? +19770 ATOM O O . GLU M 13 59 ? 36.355 8.990 -55.073 1.00 137.61 ? 62 GLU O O 1 ? ? +19771 ATOM N N . ALA M 13 60 ? 35.380 8.609 -57.081 1.00 124.59 ? 63 ALA O N 1 ? ? +19772 ATOM C CA . ALA M 13 60 ? 35.459 7.158 -56.989 1.00 117.05 ? 63 ALA O CA 1 ? ? +19773 ATOM C CB . ALA M 13 60 ? 34.377 6.496 -57.824 1.00 115.97 ? 63 ALA O CB 1 ? ? +19774 ATOM C C . ALA M 13 60 ? 36.841 6.699 -57.451 1.00 112.65 ? 63 ALA O C 1 ? ? +19775 ATOM O O . ALA M 13 60 ? 37.405 7.271 -58.384 1.00 114.46 ? 63 ALA O O 1 ? ? +19776 ATOM N N . GLU M 13 61 ? 37.399 5.693 -56.764 1.00 103.99 ? 64 GLU O N 1 ? ? +19777 ATOM C CA . GLU M 13 61 ? 38.690 5.138 -57.129 1.00 98.03 ? 64 GLU O CA 1 ? ? +19778 ATOM C CB . GLU M 13 61 ? 39.777 5.485 -56.085 1.00 104.51 ? 64 GLU O CB 1 ? ? +19779 ATOM C CG . GLU M 13 61 ? 40.200 6.947 -56.125 1.00 109.83 ? 64 GLU O CG 1 ? ? +19780 ATOM C CD . GLU M 13 61 ? 41.660 7.253 -55.823 1.00 116.84 ? 64 GLU O CD 1 ? ? +19781 ATOM O OE1 . GLU M 13 61 ? 42.377 6.381 -55.276 1.00 122.05 ? 64 GLU O OE1 1 ? ? +19782 ATOM O OE2 . GLU M 13 61 ? 42.100 8.370 -56.176 1.00 120.28 ? 64 GLU O OE2 1 ? ? +19783 ATOM C C . GLU M 13 61 ? 38.610 3.629 -57.326 1.00 87.96 ? 64 GLU O C 1 ? ? +19784 ATOM O O . GLU M 13 61 ? 37.678 2.966 -56.884 1.00 83.73 ? 64 GLU O O 1 ? ? +19785 ATOM N N . PHE M 13 62 ? 39.615 3.108 -58.027 1.00 83.65 ? 65 PHE O N 1 ? ? +19786 ATOM C CA . PHE M 13 62 ? 39.762 1.686 -58.268 1.00 79.92 ? 65 PHE O CA 1 ? ? +19787 ATOM C CB . PHE M 13 62 ? 40.396 1.462 -59.644 1.00 80.05 ? 65 PHE O CB 1 ? ? +19788 ATOM C CG . PHE M 13 62 ? 39.468 1.783 -60.794 1.00 79.67 ? 65 PHE O CG 1 ? ? +19789 ATOM C CD1 . PHE M 13 62 ? 39.244 3.094 -61.179 1.00 79.89 ? 65 PHE O CD1 1 ? ? +19790 ATOM C CD2 . PHE M 13 62 ? 38.787 0.777 -61.459 1.00 78.25 ? 65 PHE O CD2 1 ? ? +19791 ATOM C CE1 . PHE M 13 62 ? 38.387 3.387 -62.227 1.00 79.62 ? 65 PHE O CE1 1 ? ? +19792 ATOM C CE2 . PHE M 13 62 ? 37.930 1.074 -62.503 1.00 78.22 ? 65 PHE O CE2 1 ? ? +19793 ATOM C CZ . PHE M 13 62 ? 37.732 2.375 -62.879 1.00 79.32 ? 65 PHE O CZ 1 ? ? +19794 ATOM C C . PHE M 13 62 ? 40.617 1.061 -57.172 1.00 76.92 ? 65 PHE O C 1 ? ? +19795 ATOM O O . PHE M 13 62 ? 41.723 1.519 -56.932 1.00 79.89 ? 65 PHE O O 1 ? ? +19796 ATOM N N . VAL M 13 63 ? 40.100 0.009 -56.528 1.00 74.23 ? 66 VAL O N 1 ? ? +19797 ATOM C CA . VAL M 13 63 ? 40.807 -0.701 -55.476 1.00 73.13 ? 66 VAL O CA 1 ? ? +19798 ATOM C CB . VAL M 13 63 ? 39.914 -0.982 -54.257 1.00 73.80 ? 66 VAL O CB 1 ? ? +19799 ATOM C CG1 . VAL M 13 63 ? 39.458 0.312 -53.611 1.00 74.75 ? 66 VAL O CG1 1 ? ? +19800 ATOM C CG2 . VAL M 13 63 ? 38.721 -1.868 -54.613 1.00 73.24 ? 66 VAL O CG2 1 ? ? +19801 ATOM C C . VAL M 13 63 ? 41.356 -2.018 -56.011 1.00 72.16 ? 66 VAL O C 1 ? ? +19802 ATOM O O . VAL M 13 63 ? 40.780 -2.594 -56.928 1.00 70.97 ? 66 VAL O O 1 ? ? +19803 ATOM N N . PRO M 13 64 ? 42.468 -2.537 -55.438 1.00 71.51 ? 67 PRO O N 1 ? ? +19804 ATOM C CA . PRO M 13 64 ? 43.027 -3.822 -55.856 1.00 70.21 ? 67 PRO O CA 1 ? ? +19805 ATOM C CB . PRO M 13 64 ? 44.437 -3.795 -55.265 1.00 71.73 ? 67 PRO O CB 1 ? ? +19806 ATOM C CG . PRO M 13 64 ? 44.277 -2.976 -53.999 1.00 72.34 ? 67 PRO O CG 1 ? ? +19807 ATOM C CD . PRO M 13 64 ? 43.241 -1.919 -54.344 1.00 72.39 ? 67 PRO O CD 1 ? ? +19808 ATOM C C . PRO M 13 64 ? 42.179 -4.955 -55.297 1.00 66.65 ? 67 PRO O C 1 ? ? +19809 ATOM O O . PRO M 13 64 ? 41.503 -4.777 -54.290 1.00 67.29 ? 67 PRO O O 1 ? ? +19810 ATOM N N . THR M 13 65 ? 42.211 -6.105 -55.973 1.00 64.36 ? 68 THR O N 1 ? ? +19811 ATOM C CA . THR M 13 65 ? 41.414 -7.261 -55.591 1.00 61.93 ? 68 THR O CA 1 ? ? +19812 ATOM C CB . THR M 13 65 ? 40.167 -7.412 -56.477 1.00 60.22 ? 68 THR O CB 1 ? ? +19813 ATOM O OG1 . THR M 13 65 ? 40.558 -7.569 -57.827 1.00 60.25 ? 68 THR O OG1 1 ? ? +19814 ATOM C CG2 . THR M 13 65 ? 39.255 -6.245 -56.391 1.00 59.78 ? 68 THR O CG2 1 ? ? +19815 ATOM C C . THR M 13 65 ? 42.299 -8.498 -55.673 1.00 61.44 ? 68 THR O C 1 ? ? +19816 ATOM O O . THR M 13 65 ? 43.349 -8.470 -56.302 1.00 61.93 ? 68 THR O O 1 ? ? +19817 ATOM N N . LYS M 13 66 ? 41.843 -9.575 -55.033 1.00 60.37 ? 69 LYS O N 1 ? ? +19818 ATOM C CA . LYS M 13 66 ? 42.554 -10.835 -55.008 1.00 59.99 ? 69 LYS O CA 1 ? ? +19819 ATOM C CB . LYS M 13 66 ? 42.657 -11.323 -53.560 1.00 61.87 ? 69 LYS O CB 1 ? ? +19820 ATOM C CG . LYS M 13 66 ? 44.054 -11.829 -53.220 1.00 65.02 ? 69 LYS O CG 1 ? ? +19821 ATOM C CD . LYS M 13 66 ? 44.609 -11.313 -51.893 1.00 67.66 ? 69 LYS O CD 1 ? ? +19822 ATOM C CE . LYS M 13 66 ? 43.962 -11.923 -50.688 1.00 69.51 ? 69 LYS O CE 1 ? ? +19823 ATOM N NZ . LYS M 13 66 ? 44.801 -11.658 -49.483 1.00 72.16 ? 69 LYS O NZ 1 ? ? +19824 ATOM C C . LYS M 13 66 ? 41.824 -11.849 -55.877 1.00 57.42 ? 69 LYS O C 1 ? ? +19825 ATOM O O . LYS M 13 66 ? 40.624 -12.009 -55.756 1.00 56.78 ? 69 LYS O O 1 ? ? +19826 ATOM N N . LEU M 13 67 ? 42.569 -12.534 -56.742 1.00 56.19 ? 70 LEU O N 1 ? ? +19827 ATOM C CA . LEU M 13 67 ? 42.020 -13.530 -57.644 1.00 54.83 ? 70 LEU O CA 1 ? ? +19828 ATOM C CB . LEU M 13 67 ? 42.992 -13.725 -58.821 1.00 55.52 ? 70 LEU O CB 1 ? ? +19829 ATOM C CG . LEU M 13 67 ? 42.629 -14.824 -59.824 1.00 55.51 ? 70 LEU O CG 1 ? ? +19830 ATOM C CD1 . LEU M 13 67 ? 41.334 -14.476 -60.591 1.00 55.19 ? 70 LEU O CD1 1 ? ? +19831 ATOM C CD2 . LEU M 13 67 ? 43.783 -15.073 -60.755 1.00 56.08 ? 70 LEU O CD2 1 ? ? +19832 ATOM C C . LEU M 13 67 ? 41.809 -14.844 -56.902 1.00 53.33 ? 70 LEU O C 1 ? ? +19833 ATOM O O . LEU M 13 67 ? 42.761 -15.396 -56.369 1.00 53.43 ? 70 LEU O O 1 ? ? +19834 ATOM N N . VAL M 13 68 ? 40.573 -15.366 -56.917 1.00 51.68 ? 71 VAL O N 1 ? ? +19835 ATOM C CA . VAL M 13 68 ? 40.275 -16.610 -56.225 1.00 50.51 ? 71 VAL O CA 1 ? ? +19836 ATOM C CB . VAL M 13 68 ? 39.123 -16.422 -55.209 1.00 50.01 ? 71 VAL O CB 1 ? ? +19837 ATOM C CG1 . VAL M 13 68 ? 39.501 -15.409 -54.142 1.00 50.12 ? 71 VAL O CG1 1 ? ? +19838 ATOM C CG2 . VAL M 13 68 ? 37.827 -16.020 -55.873 1.00 49.73 ? 71 VAL O CG2 1 ? ? +19839 ATOM C C . VAL M 13 68 ? 39.998 -17.798 -57.146 1.00 49.77 ? 71 VAL O C 1 ? ? +19840 ATOM O O . VAL M 13 68 ? 39.866 -18.909 -56.661 1.00 49.34 ? 71 VAL O O 1 ? ? +19841 ATOM N N . THR M 13 69 ? 39.967 -17.585 -58.462 1.00 49.66 ? 72 THR O N 1 ? ? +19842 ATOM C CA . THR M 13 69 ? 39.691 -18.669 -59.387 1.00 49.51 ? 72 THR O CA 1 ? ? +19843 ATOM C CB . THR M 13 69 ? 38.546 -18.238 -60.327 1.00 49.50 ? 72 THR O CB 1 ? ? +19844 ATOM O OG1 . THR M 13 69 ? 38.861 -16.977 -60.903 1.00 50.14 ? 72 THR O OG1 1 ? ? +19845 ATOM C CG2 . THR M 13 69 ? 37.220 -18.120 -59.612 1.00 48.83 ? 72 THR O CG2 1 ? ? +19846 ATOM C C . THR M 13 69 ? 40.893 -19.215 -60.165 1.00 49.92 ? 72 THR O C 1 ? ? +19847 ATOM O O . THR M 13 69 ? 40.712 -19.867 -61.190 1.00 49.96 ? 72 THR O O 1 ? ? +19848 ATOM N N A ARG M 13 70 ? 42.109 -18.942 -59.667 0.40 50.26 ? 73 ARG O N 1 ? ? +19849 ATOM N N B ARG M 13 70 ? 42.109 -18.952 -59.661 0.60 50.19 ? 73 ARG O N 1 ? ? +19850 ATOM C CA A ARG M 13 70 ? 43.315 -19.645 -60.080 0.40 50.73 ? 73 ARG O CA 1 ? ? +19851 ATOM C CA B ARG M 13 70 ? 43.307 -19.660 -60.082 0.60 50.62 ? 73 ARG O CA 1 ? ? +19852 ATOM C C A ARG M 13 70 ? 43.701 -19.308 -61.519 0.40 51.40 ? 73 ARG O C 1 ? ? +19853 ATOM C C B ARG M 13 70 ? 43.697 -19.316 -61.520 0.60 51.33 ? 73 ARG O C 1 ? ? +19854 ATOM O O A ARG M 13 70 ? 43.196 -18.339 -62.079 0.40 51.43 ? 73 ARG O O 1 ? ? +19855 ATOM O O B ARG M 13 70 ? 43.201 -18.341 -62.079 0.60 51.36 ? 73 ARG O O 1 ? ? +19856 ATOM C CB A ARG M 13 70 ? 43.147 -21.161 -59.853 0.40 50.35 ? 73 ARG O CB 1 ? ? +19857 ATOM C CB B ARG M 13 70 ? 43.125 -21.176 -59.856 0.60 50.18 ? 73 ARG O CB 1 ? ? +19858 ATOM C CG A ARG M 13 70 ? 42.738 -21.477 -58.420 0.40 49.76 ? 73 ARG O CG 1 ? ? +19859 ATOM C CG B ARG M 13 70 ? 42.728 -21.489 -58.419 0.60 49.54 ? 73 ARG O CG 1 ? ? +19860 ATOM C CD A ARG M 13 70 ? 42.621 -22.954 -58.142 0.40 49.51 ? 73 ARG O CD 1 ? ? +19861 ATOM C CD B ARG M 13 70 ? 42.608 -22.967 -58.134 0.60 49.26 ? 73 ARG O CD 1 ? ? +19862 ATOM N NE A ARG M 13 70 ? 43.912 -23.621 -58.206 0.40 49.98 ? 73 ARG O NE 1 ? ? +19863 ATOM N NE B ARG M 13 70 ? 43.893 -23.647 -58.181 0.60 49.67 ? 73 ARG O NE 1 ? ? +19864 ATOM C CZ A ARG M 13 70 ? 44.114 -24.907 -57.959 0.40 49.92 ? 73 ARG O CZ 1 ? ? +19865 ATOM C CZ B ARG M 13 70 ? 44.075 -24.945 -57.989 0.60 49.59 ? 73 ARG O CZ 1 ? ? +19866 ATOM N NH1 A ARG M 13 70 ? 43.113 -25.726 -57.701 0.40 49.45 ? 73 ARG O NH1 1 ? ? +19867 ATOM N NH1 B ARG M 13 70 ? 43.061 -25.766 -57.827 0.60 49.12 ? 73 ARG O NH1 1 ? ? +19868 ATOM N NH2 A ARG M 13 70 ? 45.353 -25.384 -57.969 0.40 50.43 ? 73 ARG O NH2 1 ? ? +19869 ATOM N NH2 B ARG M 13 70 ? 45.308 -25.435 -57.970 0.60 50.09 ? 73 ARG O NH2 1 ? ? +19870 ATOM N N . GLU M 13 71 ? 44.625 -20.090 -62.096 1.00 51.99 ? 74 GLU O N 1 ? ? +19871 ATOM C CA . GLU M 13 71 ? 45.230 -19.750 -63.375 1.00 52.87 ? 74 GLU O CA 1 ? ? +19872 ATOM C CB . GLU M 13 71 ? 46.610 -20.445 -63.521 1.00 54.04 ? 74 GLU O CB 1 ? ? +19873 ATOM C CG . GLU M 13 71 ? 47.669 -19.956 -62.562 1.00 54.78 ? 74 GLU O CG 1 ? ? +19874 ATOM C CD . GLU M 13 71 ? 47.928 -18.484 -62.768 1.00 55.74 ? 74 GLU O CD 1 ? ? +19875 ATOM O OE1 . GLU M 13 71 ? 48.407 -18.120 -63.860 1.00 56.82 ? 74 GLU O OE1 1 ? ? +19876 ATOM O OE2 . GLU M 13 71 ? 47.604 -17.680 -61.867 1.00 56.37 ? 74 GLU O OE2 1 ? ? +19877 ATOM C C . GLU M 13 71 ? 44.336 -20.088 -64.565 1.00 52.55 ? 74 GLU O C 1 ? ? +19878 ATOM O O . GLU M 13 71 ? 44.682 -20.907 -65.406 1.00 52.75 ? 74 GLU O O 1 ? ? +19879 ATOM N N . THR M 13 72 ? 43.202 -19.393 -64.654 1.00 52.08 ? 75 THR O N 1 ? ? +19880 ATOM C CA . THR M 13 72 ? 42.147 -19.716 -65.604 1.00 51.84 ? 75 THR O CA 1 ? ? +19881 ATOM C CB . THR M 13 72 ? 40.967 -20.346 -64.870 1.00 50.97 ? 75 THR O CB 1 ? ? +19882 ATOM O OG1 . THR M 13 72 ? 40.485 -19.424 -63.898 1.00 50.54 ? 75 THR O OG1 1 ? ? +19883 ATOM C CG2 . THR M 13 72 ? 41.335 -21.646 -64.196 1.00 50.74 ? 75 THR O CG2 1 ? ? +19884 ATOM C C . THR M 13 72 ? 41.717 -18.462 -66.358 1.00 52.10 ? 75 THR O C 1 ? ? +19885 ATOM O O . THR M 13 72 ? 40.621 -18.414 -66.904 1.00 51.88 ? 75 THR O O 1 ? ? +19886 ATOM N N . THR M 13 73 ? 42.603 -17.457 -66.405 1.00 52.63 ? 76 THR O N 1 ? ? +19887 ATOM C CA . THR M 13 73 ? 42.177 -16.101 -66.702 1.00 52.78 ? 76 THR O CA 1 ? ? +19888 ATOM C CB . THR M 13 73 ? 42.806 -15.138 -65.690 1.00 52.80 ? 76 THR O CB 1 ? ? +19889 ATOM O OG1 . THR M 13 73 ? 44.240 -15.206 -65.767 1.00 53.35 ? 76 THR O OG1 1 ? ? +19890 ATOM C CG2 . THR M 13 73 ? 42.357 -15.421 -64.295 1.00 52.10 ? 76 THR O CG2 1 ? ? +19891 ATOM C C . THR M 13 73 ? 42.466 -15.616 -68.120 1.00 53.54 ? 76 THR O C 1 ? ? +19892 ATOM O O . THR M 13 73 ? 41.834 -14.669 -68.579 1.00 53.73 ? 76 THR O O 1 ? ? +19893 ATOM N N . SER M 13 74 ? 43.414 -16.251 -68.811 1.00 54.11 ? 77 SER O N 1 ? ? +19894 ATOM C CA . SER M 13 74 ? 43.919 -15.688 -70.050 1.00 54.87 ? 77 SER O CA 1 ? ? +19895 ATOM C CB . SER M 13 74 ? 45.358 -16.124 -70.311 1.00 55.53 ? 77 SER O CB 1 ? ? +19896 ATOM O OG . SER M 13 74 ? 46.178 -15.667 -69.255 1.00 55.69 ? 77 SER O OG 1 ? ? +19897 ATOM C C . SER M 13 74 ? 43.058 -16.047 -71.253 1.00 54.89 ? 77 SER O C 1 ? ? +19898 ATOM O O . SER M 13 74 ? 42.504 -17.146 -71.325 1.00 54.55 ? 77 SER O O 1 ? ? +19899 ATOM N N . LEU M 13 75 ? 42.987 -15.092 -72.188 1.00 55.44 ? 78 LEU O N 1 ? ? +19900 ATOM C CA . LEU M 13 75 ? 42.374 -15.279 -73.488 1.00 55.81 ? 78 LEU O CA 1 ? ? +19901 ATOM C CB . LEU M 13 75 ? 41.612 -14.010 -73.880 1.00 55.77 ? 78 LEU O CB 1 ? ? +19902 ATOM C CG . LEU M 13 75 ? 40.724 -13.402 -72.780 1.00 54.97 ? 78 LEU O CG 1 ? ? +19903 ATOM C CD1 . LEU M 13 75 ? 40.049 -12.150 -73.270 1.00 55.08 ? 78 LEU O CD1 1 ? ? +19904 ATOM C CD2 . LEU M 13 75 ? 39.745 -14.393 -72.269 1.00 54.17 ? 78 LEU O CD2 1 ? ? +19905 ATOM C C . LEU M 13 75 ? 43.475 -15.599 -74.492 1.00 56.99 ? 78 LEU O C 1 ? ? +19906 ATOM O O . LEU M 13 75 ? 44.595 -15.068 -74.406 1.00 57.56 ? 78 LEU O O 1 ? ? +19907 ATOM N N . ASP M 13 76 ? 43.163 -16.510 -75.420 1.00 57.50 ? 79 ASP O N 1 ? ? +19908 ATOM C CA . ASP M 13 76 ? 44.173 -16.982 -76.344 1.00 58.66 ? 79 ASP O CA 1 ? ? +19909 ATOM C CB . ASP M 13 76 ? 45.170 -17.913 -75.614 1.00 58.45 ? 79 ASP O CB 1 ? ? +19910 ATOM C CG . ASP M 13 76 ? 46.479 -18.151 -76.353 1.00 59.08 ? 79 ASP O CG 1 ? ? +19911 ATOM O OD1 . ASP M 13 76 ? 46.674 -17.553 -77.419 1.00 59.45 ? 79 ASP O OD1 1 ? ? +19912 ATOM O OD2 . ASP M 13 76 ? 47.292 -18.944 -75.865 1.00 59.00 ? 79 ASP O OD2 1 ? ? +19913 ATOM C C . ASP M 13 76 ? 43.557 -17.677 -77.551 1.00 59.52 ? 79 ASP O C 1 ? ? +19914 ATOM O O . ASP M 13 76 ? 42.381 -18.024 -77.549 1.00 58.97 ? 79 ASP O O 1 ? ? +19915 ATOM N N . GLN M 13 77 ? 44.395 -17.848 -78.577 1.00 61.35 ? 80 GLN O N 1 ? ? +19916 ATOM C CA . GLN M 13 77 ? 44.031 -18.464 -79.838 1.00 62.57 ? 80 GLN O CA 1 ? ? +19917 ATOM C CB . GLN M 13 77 ? 43.614 -19.923 -79.628 1.00 62.74 ? 80 GLN O CB 1 ? ? +19918 ATOM C CG . GLN M 13 77 ? 44.756 -20.728 -78.967 1.00 63.50 ? 80 GLN O CG 1 ? ? +19919 ATOM C CD . GLN M 13 77 ? 44.670 -22.226 -79.215 1.00 64.13 ? 80 GLN O CD 1 ? ? +19920 ATOM O OE1 . GLN M 13 77 ? 45.178 -22.738 -80.239 1.00 65.47 ? 80 GLN O OE1 1 ? ? +19921 ATOM N NE2 . GLN M 13 77 ? 44.084 -22.969 -78.256 1.00 63.68 ? 80 GLN O NE2 1 ? ? +19922 ATOM C C . GLN M 13 77 ? 42.978 -17.609 -80.531 1.00 62.95 ? 80 GLN O C 1 ? ? +19923 ATOM O O . GLN M 13 77 ? 42.182 -18.108 -81.321 1.00 62.84 ? 80 GLN O O 1 ? ? +19924 ATOM N N . ILE M 13 78 ? 43.037 -16.301 -80.262 1.00 63.73 ? 81 ILE O N 1 ? ? +19925 ATOM C CA . ILE M 13 78 ? 42.175 -15.336 -80.910 1.00 64.60 ? 81 ILE O CA 1 ? ? +19926 ATOM C CB . ILE M 13 78 ? 41.954 -14.069 -80.048 1.00 64.32 ? 81 ILE O CB 1 ? ? +19927 ATOM C CG1 . ILE M 13 78 ? 41.251 -14.426 -78.726 1.00 63.43 ? 81 ILE O CG1 1 ? ? +19928 ATOM C CG2 . ILE M 13 78 ? 41.164 -13.015 -80.809 1.00 64.60 ? 81 ILE O CG2 1 ? ? +19929 ATOM C CD1 . ILE M 13 78 ? 41.094 -13.290 -77.746 1.00 63.11 ? 81 ILE O CD1 1 ? ? +19930 ATOM C C . ILE M 13 78 ? 42.797 -15.034 -82.264 1.00 66.65 ? 81 ILE O C 1 ? ? +19931 ATOM O O . ILE M 13 78 ? 44.004 -14.855 -82.371 1.00 67.46 ? 81 ILE O O 1 ? ? +19932 ATOM N N . GLN M 13 79 ? 41.955 -14.986 -83.294 1.00 68.59 ? 82 GLN O N 1 ? ? +19933 ATOM C CA . GLN M 13 79 ? 42.408 -14.638 -84.627 1.00 70.74 ? 82 GLN O CA 1 ? ? +19934 ATOM C CB . GLN M 13 79 ? 42.761 -15.913 -85.399 1.00 72.23 ? 82 GLN O CB 1 ? ? +19935 ATOM C CG . GLN M 13 79 ? 41.573 -16.864 -85.560 1.00 73.21 ? 82 GLN O CG 1 ? ? +19936 ATOM C CD . GLN M 13 79 ? 41.864 -18.023 -86.469 1.00 74.55 ? 82 GLN O CD 1 ? ? +19937 ATOM O OE1 . GLN M 13 79 ? 43.032 -18.329 -86.806 1.00 75.46 ? 82 GLN O OE1 1 ? ? +19938 ATOM N NE2 . GLN M 13 79 ? 40.777 -18.689 -86.868 1.00 74.92 ? 82 GLN O NE2 1 ? ? +19939 ATOM C C . GLN M 13 79 ? 41.333 -13.822 -85.340 1.00 70.92 ? 82 GLN O C 1 ? ? +19940 ATOM O O . GLN M 13 79 ? 40.159 -13.873 -84.980 1.00 69.85 ? 82 GLN O O 1 ? ? +19941 ATOM N N . GLY M 13 80 ? 41.764 -13.061 -86.348 1.00 72.29 ? 83 GLY O N 1 ? ? +19942 ATOM C CA . GLY M 13 80 ? 40.865 -12.238 -87.137 1.00 73.30 ? 83 GLY O CA 1 ? ? +19943 ATOM C C . GLY M 13 80 ? 41.622 -11.461 -88.213 1.00 74.69 ? 83 GLY O C 1 ? ? +19944 ATOM O O . GLY M 13 80 ? 42.850 -11.488 -88.248 1.00 74.56 ? 83 GLY O O 1 ? ? +19945 ATOM N N . GLU M 13 81 ? 40.861 -10.761 -89.062 1.00 75.90 ? 84 GLU O N 1 ? ? +19946 ATOM C CA . GLU M 13 81 ? 41.415 -9.979 -90.151 1.00 77.36 ? 84 GLU O CA 1 ? ? +19947 ATOM C CB . GLU M 13 81 ? 40.319 -9.631 -91.175 1.00 78.54 ? 84 GLU O CB 1 ? ? +19948 ATOM C CG . GLU M 13 81 ? 40.860 -8.928 -92.411 1.00 81.22 ? 84 GLU O CG 1 ? ? +19949 ATOM C CD . GLU M 13 81 ? 39.887 -8.765 -93.570 1.00 83.11 ? 84 GLU O CD 1 ? ? +19950 ATOM O OE1 . GLU M 13 81 ? 38.658 -8.893 -93.343 1.00 82.92 ? 84 GLU O OE1 1 ? ? +19951 ATOM O OE2 . GLU M 13 81 ? 40.361 -8.521 -94.707 1.00 84.11 ? 84 GLU O OE2 1 ? ? +19952 ATOM C C . GLU M 13 81 ? 42.058 -8.707 -89.606 1.00 77.50 ? 84 GLU O C 1 ? ? +19953 ATOM O O . GLU M 13 81 ? 41.515 -8.087 -88.692 1.00 76.19 ? 84 GLU O O 1 ? ? +19954 ATOM N N . LEU M 13 82 ? 43.226 -8.351 -90.167 1.00 78.27 ? 85 LEU O N 1 ? ? +19955 ATOM C CA . LEU M 13 82 ? 43.855 -7.067 -89.910 1.00 78.50 ? 85 LEU O CA 1 ? ? +19956 ATOM C CB . LEU M 13 82 ? 45.294 -7.237 -89.432 1.00 78.28 ? 85 LEU O CB 1 ? ? +19957 ATOM C CG . LEU M 13 82 ? 45.995 -5.951 -89.036 1.00 78.54 ? 85 LEU O CG 1 ? ? +19958 ATOM C CD1 . LEU M 13 82 ? 45.379 -5.347 -87.799 1.00 77.80 ? 85 LEU O CD1 1 ? ? +19959 ATOM C CD2 . LEU M 13 82 ? 47.444 -6.171 -88.774 1.00 79.04 ? 85 LEU O CD2 1 ? ? +19960 ATOM C C . LEU M 13 82 ? 43.799 -6.254 -91.198 1.00 80.29 ? 85 LEU O C 1 ? ? +19961 ATOM O O . LEU M 13 82 ? 44.605 -6.468 -92.100 1.00 81.09 ? 85 LEU O O 1 ? ? +19962 ATOM N N . LYS M 13 83 ? 42.820 -5.340 -91.269 1.00 81.25 ? 86 LYS O N 1 ? ? +19963 ATOM C CA . LYS M 13 83 ? 42.552 -4.554 -92.463 1.00 83.13 ? 86 LYS O CA 1 ? ? +19964 ATOM C CB . LYS M 13 83 ? 41.072 -4.170 -92.542 1.00 83.42 ? 86 LYS O CB 1 ? ? +19965 ATOM C CG . LYS M 13 83 ? 40.122 -5.343 -92.802 1.00 83.90 ? 86 LYS O CG 1 ? ? +19966 ATOM C CD . LYS M 13 83 ? 38.698 -4.905 -93.158 1.00 84.15 ? 86 LYS O CD 1 ? ? +19967 ATOM C CE . LYS M 13 83 ? 38.022 -4.177 -92.024 1.00 83.81 ? 86 LYS O CE 1 ? ? +19968 ATOM N NZ . LYS M 13 83 ? 36.644 -3.798 -92.375 1.00 83.97 ? 86 LYS O NZ 1 ? ? +19969 ATOM C C . LYS M 13 83 ? 43.353 -3.259 -92.506 1.00 84.51 ? 86 LYS O C 1 ? ? +19970 ATOM O O . LYS M 13 83 ? 43.571 -2.627 -91.474 1.00 83.58 ? 86 LYS O O 1 ? ? +19971 ATOM N N . VAL M 13 84 ? 43.763 -2.873 -93.720 1.00 87.13 ? 87 VAL O N 1 ? ? +19972 ATOM C CA . VAL M 13 84 ? 44.341 -1.565 -93.984 1.00 88.97 ? 87 VAL O CA 1 ? ? +19973 ATOM C CB . VAL M 13 84 ? 45.486 -1.680 -95.002 1.00 89.72 ? 87 VAL O CB 1 ? ? +19974 ATOM C CG1 . VAL M 13 84 ? 45.941 -0.308 -95.496 1.00 91.03 ? 87 VAL O CG1 1 ? ? +19975 ATOM C CG2 . VAL M 13 84 ? 46.637 -2.475 -94.416 1.00 89.29 ? 87 VAL O CG2 1 ? ? +19976 ATOM C C . VAL M 13 84 ? 43.249 -0.634 -94.499 1.00 89.77 ? 87 VAL O C 1 ? ? +19977 ATOM O O . VAL M 13 84 ? 42.585 -0.955 -95.479 1.00 90.48 ? 87 VAL O O 1 ? ? +19978 ATOM N N . ASN M 13 85 ? 43.070 0.514 -93.839 1.00 90.64 ? 88 ASN O N 1 ? ? +19979 ATOM C CA . ASN M 13 85 ? 42.035 1.459 -94.222 1.00 91.56 ? 88 ASN O CA 1 ? ? +19980 ATOM C CB . ASN M 13 85 ? 41.435 2.085 -92.979 1.00 90.85 ? 88 ASN O CB 1 ? ? +19981 ATOM C CG . ASN M 13 85 ? 40.796 1.067 -92.084 1.00 90.12 ? 88 ASN O CG 1 ? ? +19982 ATOM O OD1 . ASN M 13 85 ? 41.097 0.982 -90.897 1.00 89.65 ? 88 ASN O OD1 1 ? ? +19983 ATOM N ND2 . ASN M 13 85 ? 39.892 0.269 -92.625 1.00 90.03 ? 88 ASN O ND2 1 ? ? +19984 ATOM C C . ASN M 13 85 ? 42.561 2.532 -95.175 1.00 93.68 ? 88 ASN O C 1 ? ? +19985 ATOM O O . ASN M 13 85 ? 43.757 2.576 -95.466 1.00 94.04 ? 88 ASN O O 1 ? ? +19986 ATOM N N . SER M 13 86 ? 41.634 3.373 -95.663 1.00 94.73 ? 89 SER O N 1 ? ? +19987 ATOM C CA . SER M 13 86 ? 41.934 4.497 -96.540 1.00 95.44 ? 89 SER O CA 1 ? ? +19988 ATOM C CB . SER M 13 86 ? 40.718 5.418 -96.684 1.00 96.18 ? 89 SER O CB 1 ? ? +19989 ATOM O OG . SER M 13 86 ? 39.506 4.728 -96.939 1.00 97.07 ? 89 SER O OG 1 ? ? +19990 ATOM C C . SER M 13 86 ? 43.085 5.362 -96.034 1.00 94.76 ? 89 SER O C 1 ? ? +19991 ATOM O O . SER M 13 86 ? 43.992 5.703 -96.788 1.00 95.13 ? 89 SER O O 1 ? ? +19992 ATOM N N . ASP M 13 87 ? 43.007 5.708 -94.744 1.00 93.41 ? 90 ASP O N 1 ? ? +19993 ATOM C CA . ASP M 13 87 ? 43.914 6.649 -94.108 1.00 93.66 ? 90 ASP O CA 1 ? ? +19994 ATOM C CB . ASP M 13 87 ? 43.169 7.364 -92.965 1.00 93.18 ? 90 ASP O CB 1 ? ? +19995 ATOM C CG . ASP M 13 87 ? 42.632 6.418 -91.919 1.00 92.35 ? 90 ASP O CG 1 ? ? +19996 ATOM O OD1 . ASP M 13 87 ? 42.126 5.349 -92.299 1.00 92.23 ? 90 ASP O OD1 1 ? ? +19997 ATOM O OD2 . ASP M 13 87 ? 42.697 6.757 -90.726 1.00 92.14 ? 90 ASP O OD2 1 ? ? +19998 ATOM C C . ASP M 13 87 ? 45.189 6.007 -93.561 1.00 93.39 ? 90 ASP O C 1 ? ? +19999 ATOM O O . ASP M 13 87 ? 45.929 6.647 -92.816 1.00 94.28 ? 90 ASP O O 1 ? ? +20000 ATOM N N . GLY M 13 88 ? 45.436 4.740 -93.919 1.00 92.28 ? 91 GLY O N 1 ? ? +20001 ATOM C CA . GLY M 13 88 ? 46.648 4.050 -93.506 1.00 91.42 ? 91 GLY O CA 1 ? ? +20002 ATOM C C . GLY M 13 88 ? 46.588 3.416 -92.117 1.00 89.05 ? 91 GLY O C 1 ? ? +20003 ATOM O O . GLY M 13 88 ? 47.524 2.723 -91.725 1.00 88.79 ? 91 GLY O O 1 ? ? +20004 ATOM N N . SER M 13 89 ? 45.495 3.656 -91.377 1.00 87.18 ? 92 SER O N 1 ? ? +20005 ATOM C CA . SER M 13 89 ? 45.284 2.997 -90.099 1.00 84.84 ? 92 SER O CA 1 ? ? +20006 ATOM C CB . SER M 13 89 ? 44.119 3.620 -89.342 1.00 84.26 ? 92 SER O CB 1 ? ? +20007 ATOM O OG . SER M 13 89 ? 42.901 3.413 -90.030 1.00 84.28 ? 92 SER O OG 1 ? ? +20008 ATOM C C . SER M 13 89 ? 45.011 1.513 -90.331 1.00 82.91 ? 92 SER O C 1 ? ? +20009 ATOM O O . SER M 13 89 ? 44.575 1.126 -91.416 1.00 83.16 ? 92 SER O O 1 ? ? +20010 ATOM N N . LEU M 13 90 ? 45.281 0.700 -89.301 1.00 80.71 ? 93 LEU O N 1 ? ? +20011 ATOM C CA . LEU M 13 90 ? 44.953 -0.717 -89.314 1.00 79.21 ? 93 LEU O CA 1 ? ? +20012 ATOM C CB . LEU M 13 90 ? 46.144 -1.546 -88.814 1.00 79.39 ? 93 LEU O CB 1 ? ? +20013 ATOM C CG . LEU M 13 90 ? 47.416 -1.377 -89.638 1.00 80.82 ? 93 LEU O CG 1 ? ? +20014 ATOM C CD1 . LEU M 13 90 ? 48.625 -1.984 -88.950 1.00 80.85 ? 93 LEU O CD1 1 ? ? +20015 ATOM C CD2 . LEU M 13 90 ? 47.251 -1.988 -90.991 1.00 81.33 ? 93 LEU O CD2 1 ? ? +20016 ATOM C C . LEU M 13 90 ? 43.741 -0.947 -88.418 1.00 76.97 ? 93 LEU O C 1 ? ? +20017 ATOM O O . LEU M 13 90 ? 43.585 -0.265 -87.410 1.00 76.70 ? 93 LEU O O 1 ? ? +20018 ATOM N N . THR M 13 91 ? 42.889 -1.906 -88.795 1.00 75.35 ? 94 THR O N 1 ? ? +20019 ATOM C CA . THR M 13 91 ? 41.779 -2.324 -87.951 1.00 73.43 ? 94 THR O CA 1 ? ? +20020 ATOM C CB . THR M 13 91 ? 40.431 -1.825 -88.501 1.00 73.12 ? 94 THR O CB 1 ? ? +20021 ATOM O OG1 . THR M 13 91 ? 40.374 -0.419 -88.333 1.00 73.44 ? 94 THR O OG1 1 ? ? +20022 ATOM C CG2 . THR M 13 91 ? 39.233 -2.450 -87.803 1.00 71.85 ? 94 THR O CG2 1 ? ? +20023 ATOM C C . THR M 13 91 ? 41.792 -3.841 -87.797 1.00 72.13 ? 94 THR O C 1 ? ? +20024 ATOM O O . THR M 13 91 ? 41.758 -4.568 -88.786 1.00 72.31 ? 94 THR O O 1 ? ? +20025 ATOM N N . PHE M 13 92 ? 41.844 -4.294 -86.541 1.00 70.88 ? 95 PHE O N 1 ? ? +20026 ATOM C CA . PHE M 13 92 ? 41.662 -5.694 -86.203 1.00 69.85 ? 95 PHE O CA 1 ? ? +20027 ATOM C CB . PHE M 13 92 ? 42.472 -6.055 -84.955 1.00 69.34 ? 95 PHE O CB 1 ? ? +20028 ATOM C CG . PHE M 13 92 ? 42.208 -7.457 -84.463 1.00 68.58 ? 95 PHE O CG 1 ? ? +20029 ATOM C CD1 . PHE M 13 92 ? 42.542 -8.552 -85.239 1.00 68.82 ? 95 PHE O CD1 1 ? ? +20030 ATOM C CD2 . PHE M 13 92 ? 41.601 -7.677 -83.241 1.00 67.65 ? 95 PHE O CD2 1 ? ? +20031 ATOM C CE1 . PHE M 13 92 ? 42.302 -9.841 -84.789 1.00 68.13 ? 95 PHE O CE1 1 ? ? +20032 ATOM C CE2 . PHE M 13 92 ? 41.352 -8.969 -82.800 1.00 67.14 ? 95 PHE O CE2 1 ? ? +20033 ATOM C CZ . PHE M 13 92 ? 41.706 -10.042 -83.579 1.00 67.31 ? 95 PHE O CZ 1 ? ? +20034 ATOM C C . PHE M 13 92 ? 40.183 -5.996 -85.956 1.00 68.80 ? 95 PHE O C 1 ? ? +20035 ATOM O O . PHE M 13 92 ? 39.538 -5.328 -85.154 1.00 67.81 ? 95 PHE O O 1 ? ? +20036 ATOM N N . VAL M 13 93 ? 39.666 -7.016 -86.649 1.00 68.57 ? 96 VAL O N 1 ? ? +20037 ATOM C CA . VAL M 13 93 ? 38.312 -7.497 -86.436 1.00 67.96 ? 96 VAL O CA 1 ? ? +20038 ATOM C CB . VAL M 13 93 ? 37.445 -7.371 -87.718 1.00 68.39 ? 96 VAL O CB 1 ? ? +20039 ATOM C CG1 . VAL M 13 93 ? 36.026 -7.922 -87.508 1.00 67.28 ? 96 VAL O CG1 1 ? ? +20040 ATOM C CG2 . VAL M 13 93 ? 37.404 -5.926 -88.202 1.00 69.10 ? 96 VAL O CG2 1 ? ? +20041 ATOM C C . VAL M 13 93 ? 38.396 -8.940 -85.947 1.00 67.26 ? 96 VAL O C 1 ? ? +20042 ATOM O O . VAL M 13 93 ? 38.760 -9.840 -86.703 1.00 67.94 ? 96 VAL O O 1 ? ? +20043 ATOM N N . GLU M 13 94 ? 38.064 -9.142 -84.672 1.00 66.04 ? 97 GLU O N 1 ? ? +20044 ATOM C CA . GLU M 13 94 ? 38.100 -10.468 -84.088 1.00 65.29 ? 97 GLU O CA 1 ? ? +20045 ATOM C CB . GLU M 13 94 ? 37.822 -10.412 -82.596 1.00 64.52 ? 97 GLU O CB 1 ? ? +20046 ATOM C CG . GLU M 13 94 ? 38.111 -11.727 -81.901 1.00 64.09 ? 97 GLU O CG 1 ? ? +20047 ATOM C CD . GLU M 13 94 ? 36.991 -12.272 -81.040 1.00 63.32 ? 97 GLU O CD 1 ? ? +20048 ATOM O OE1 . GLU M 13 94 ? 35.926 -11.623 -80.982 1.00 63.23 ? 97 GLU O OE1 1 ? ? +20049 ATOM O OE2 . GLU M 13 94 ? 37.167 -13.360 -80.447 1.00 62.78 ? 97 GLU O OE2 1 ? ? +20050 ATOM C C . GLU M 13 94 ? 37.059 -11.366 -84.751 1.00 64.91 ? 97 GLU O C 1 ? ? +20051 ATOM O O . GLU M 13 94 ? 35.900 -10.979 -84.885 1.00 64.84 ? 97 GLU O O 1 ? ? +20052 ATOM N N A GLU M 13 95 ? 37.494 -12.566 -85.143 0.50 64.78 ? 98 GLU O N 1 ? ? +20053 ATOM N N B GLU M 13 95 ? 37.496 -12.565 -85.147 0.50 64.83 ? 98 GLU O N 1 ? ? +20054 ATOM C CA A GLU M 13 95 ? 36.634 -13.527 -85.805 0.50 64.42 ? 98 GLU O CA 1 ? ? +20055 ATOM C CA B GLU M 13 95 ? 36.653 -13.542 -85.813 0.50 64.52 ? 98 GLU O CA 1 ? ? +20056 ATOM C C A GLU M 13 95 ? 36.256 -14.677 -84.874 0.50 63.31 ? 98 GLU O C 1 ? ? +20057 ATOM C C B GLU M 13 95 ? 36.251 -14.662 -84.854 0.50 63.36 ? 98 GLU O C 1 ? ? +20058 ATOM O O A GLU M 13 95 ? 35.083 -15.026 -84.791 0.50 63.05 ? 98 GLU O O 1 ? ? +20059 ATOM O O B GLU M 13 95 ? 35.075 -14.997 -84.754 0.50 63.09 ? 98 GLU O O 1 ? ? +20060 ATOM C CB A GLU M 13 95 ? 37.308 -13.986 -87.112 0.50 65.36 ? 98 GLU O CB 1 ? ? +20061 ATOM C CB B GLU M 13 95 ? 37.401 -14.115 -87.029 0.50 65.49 ? 98 GLU O CB 1 ? ? +20062 ATOM C CG A GLU M 13 95 ? 36.790 -13.142 -88.278 0.50 66.05 ? 98 GLU O CG 1 ? ? +20063 ATOM C CG B GLU M 13 95 ? 36.718 -15.315 -87.672 0.50 65.55 ? 98 GLU O CG 1 ? ? +20064 ATOM C CD A GLU M 13 95 ? 37.738 -12.865 -89.426 0.50 67.05 ? 98 GLU O CD 1 ? ? +20065 ATOM C CD B GLU M 13 95 ? 37.621 -16.124 -88.577 0.50 66.24 ? 98 GLU O CD 1 ? ? +20066 ATOM O OE1 A GLU M 13 95 ? 38.147 -13.827 -90.117 0.50 67.42 ? 98 GLU O OE1 1 ? ? +20067 ATOM O OE1 B GLU M 13 95 ? 38.472 -16.873 -88.046 0.50 66.43 ? 98 GLU O OE1 1 ? ? +20068 ATOM O OE2 A GLU M 13 95 ? 38.061 -11.674 -89.640 0.50 67.47 ? 98 GLU O OE2 1 ? ? +20069 ATOM O OE2 B GLU M 13 95 ? 37.496 -15.990 -89.815 0.50 66.86 ? 98 GLU O OE2 1 ? ? +20070 ATOM N N . ASP M 13 96 ? 37.240 -15.226 -84.150 1.00 62.81 ? 99 ASP O N 1 ? ? +20071 ATOM C CA . ASP M 13 96 ? 37.034 -16.374 -83.270 1.00 61.44 ? 99 ASP O CA 1 ? ? +20072 ATOM C CB . ASP M 13 96 ? 36.835 -17.675 -84.104 1.00 61.50 ? 99 ASP O CB 1 ? ? +20073 ATOM C CG . ASP M 13 96 ? 36.385 -18.926 -83.352 1.00 60.86 ? 99 ASP O CG 1 ? ? +20074 ATOM O OD1 . ASP M 13 96 ? 35.891 -18.792 -82.214 1.00 60.31 ? 99 ASP O OD1 1 ? ? +20075 ATOM O OD2 . ASP M 13 96 ? 36.528 -20.043 -83.902 1.00 60.95 ? 99 ASP O OD2 1 ? ? +20076 ATOM C C . ASP M 13 96 ? 38.238 -16.557 -82.343 1.00 60.69 ? 99 ASP O C 1 ? ? +20077 ATOM O O . ASP M 13 96 ? 39.315 -16.009 -82.590 1.00 61.25 ? 99 ASP O O 1 ? ? +20078 ATOM N N . GLY M 13 97 ? 38.045 -17.350 -81.286 1.00 59.28 ? 100 GLY O N 1 ? ? +20079 ATOM C CA . GLY M 13 97 ? 39.108 -17.746 -80.380 1.00 58.68 ? 100 GLY O CA 1 ? ? +20080 ATOM C C . GLY M 13 97 ? 38.533 -18.045 -79.001 1.00 57.48 ? 100 GLY O C 1 ? ? +20081 ATOM O O . GLY M 13 97 ? 37.322 -17.978 -78.814 1.00 56.92 ? 100 GLY O O 1 ? ? +20082 ATOM N N . ILE M 13 98 ? 39.404 -18.391 -78.049 1.00 56.86 ? 101 ILE O N 1 ? ? +20083 ATOM C CA . ILE M 13 98 ? 38.994 -18.522 -76.663 1.00 55.85 ? 101 ILE O CA 1 ? ? +20084 ATOM C CB . ILE M 13 98 ? 39.897 -19.554 -75.942 1.00 55.70 ? 101 ILE O CB 1 ? ? +20085 ATOM C CG1 . ILE M 13 98 ? 39.704 -20.934 -76.581 1.00 55.74 ? 101 ILE O CG1 1 ? ? +20086 ATOM C CG2 . ILE M 13 98 ? 39.648 -19.620 -74.442 1.00 54.95 ? 101 ILE O CG2 1 ? ? +20087 ATOM C CD1 . ILE M 13 98 ? 40.784 -21.890 -76.297 1.00 56.04 ? 101 ILE O CD1 1 ? ? +20088 ATOM C C . ILE M 13 98 ? 39.004 -17.103 -76.098 1.00 55.58 ? 101 ILE O C 1 ? ? +20089 ATOM O O . ILE M 13 98 ? 39.993 -16.667 -75.504 1.00 55.90 ? 101 ILE O O 1 ? ? +20090 ATOM N N . ASP M 13 99 ? 37.896 -16.385 -76.327 1.00 54.98 ? 102 ASP O N 1 ? ? +20091 ATOM C CA . ASP M 13 99 ? 37.848 -14.939 -76.167 1.00 54.86 ? 102 ASP O CA 1 ? ? +20092 ATOM C CB . ASP M 13 99 ? 37.240 -14.311 -77.429 1.00 55.34 ? 102 ASP O CB 1 ? ? +20093 ATOM C CG . ASP M 13 99 ? 35.799 -14.692 -77.779 1.00 54.99 ? 102 ASP O CG 1 ? ? +20094 ATOM O OD1 . ASP M 13 99 ? 35.129 -15.333 -76.952 1.00 54.31 ? 102 ASP O OD1 1 ? ? +20095 ATOM O OD2 . ASP M 13 99 ? 35.349 -14.344 -78.871 1.00 55.43 ? 102 ASP O OD2 1 ? ? +20096 ATOM C C . ASP M 13 99 ? 37.080 -14.469 -74.935 1.00 53.95 ? 102 ASP O C 1 ? ? +20097 ATOM O O . ASP M 13 99 ? 36.683 -13.306 -74.849 1.00 53.92 ? 102 ASP O O 1 ? ? +20098 ATOM N N . PHE M 13 100 ? 36.893 -15.386 -73.980 1.00 53.11 ? 103 PHE O N 1 ? ? +20099 ATOM C CA . PHE M 13 100 ? 36.308 -15.059 -72.697 1.00 52.27 ? 103 PHE O CA 1 ? ? +20100 ATOM C CB . PHE M 13 100 ? 34.792 -15.179 -72.768 1.00 51.70 ? 103 PHE O CB 1 ? ? +20101 ATOM C CG . PHE M 13 100 ? 34.328 -16.607 -72.953 1.00 51.27 ? 103 PHE O CG 1 ? ? +20102 ATOM C CD1 . PHE M 13 100 ? 34.431 -17.230 -74.180 1.00 51.59 ? 103 PHE O CD1 1 ? ? +20103 ATOM C CD2 . PHE M 13 100 ? 33.850 -17.341 -71.884 1.00 50.56 ? 103 PHE O CD2 1 ? ? +20104 ATOM C CE1 . PHE M 13 100 ? 34.031 -18.544 -74.341 1.00 51.33 ? 103 PHE O CE1 1 ? ? +20105 ATOM C CE2 . PHE M 13 100 ? 33.443 -18.651 -72.057 1.00 50.30 ? 103 PHE O CE2 1 ? ? +20106 ATOM C CZ . PHE M 13 100 ? 33.538 -19.242 -73.287 1.00 50.68 ? 103 PHE O CZ 1 ? ? +20107 ATOM C C . PHE M 13 100 ? 36.828 -16.019 -71.634 1.00 51.89 ? 103 PHE O C 1 ? ? +20108 ATOM O O . PHE M 13 100 ? 37.158 -17.162 -71.939 1.00 51.87 ? 103 PHE O O 1 ? ? +20109 ATOM N N . GLN M 13 101 ? 36.878 -15.540 -70.388 1.00 51.62 ? 104 GLN O N 1 ? ? +20110 ATOM C CA . GLN M 13 101 ? 37.054 -16.390 -69.219 1.00 51.28 ? 104 GLN O CA 1 ? ? +20111 ATOM C CB . GLN M 13 101 ? 38.526 -16.462 -68.777 1.00 51.63 ? 104 GLN O CB 1 ? ? +20112 ATOM C CG . GLN M 13 101 ? 39.479 -17.104 -69.790 1.00 52.18 ? 104 GLN O CG 1 ? ? +20113 ATOM C CD . GLN M 13 101 ? 39.205 -18.575 -69.947 1.00 51.91 ? 104 GLN O CD 1 ? ? +20114 ATOM O OE1 . GLN M 13 101 ? 38.426 -19.189 -69.182 1.00 51.26 ? 104 GLN O OE1 1 ? ? +20115 ATOM N NE2 . GLN M 13 101 ? 39.855 -19.168 -70.941 1.00 52.41 ? 104 GLN O NE2 1 ? ? +20116 ATOM C C . GLN M 13 101 ? 36.248 -15.795 -68.072 1.00 50.87 ? 104 GLN O C 1 ? ? +20117 ATOM O O . GLN M 13 101 ? 36.353 -14.599 -67.825 1.00 51.08 ? 104 GLN O O 1 ? ? +20118 ATOM N N . PRO M 13 102 ? 35.416 -16.576 -67.338 1.00 50.45 ? 105 PRO O N 1 ? ? +20119 ATOM C CA . PRO M 13 102 ? 34.851 -16.084 -66.082 1.00 50.12 ? 105 PRO O CA 1 ? ? +20120 ATOM C CB . PRO M 13 102 ? 33.841 -17.166 -65.692 1.00 49.46 ? 105 PRO O CB 1 ? ? +20121 ATOM C CG . PRO M 13 102 ? 34.322 -18.405 -66.413 1.00 49.58 ? 105 PRO O CG 1 ? ? +20122 ATOM C CD . PRO M 13 102 ? 34.969 -17.939 -67.674 1.00 50.20 ? 105 PRO O CD 1 ? ? +20123 ATOM C C . PRO M 13 102 ? 35.966 -15.910 -65.052 1.00 50.45 ? 105 PRO O C 1 ? ? +20124 ATOM O O . PRO M 13 102 ? 36.830 -16.771 -64.921 1.00 50.69 ? 105 PRO O O 1 ? ? +20125 ATOM N N . VAL M 13 103 ? 35.939 -14.785 -64.333 1.00 50.70 ? 106 VAL O N 1 ? ? +20126 ATOM C CA . VAL M 13 103 ? 36.911 -14.495 -63.298 1.00 50.95 ? 106 VAL O CA 1 ? ? +20127 ATOM C CB . VAL M 13 103 ? 37.878 -13.385 -63.749 1.00 51.55 ? 106 VAL O CB 1 ? ? +20128 ATOM C CG1 . VAL M 13 103 ? 38.853 -13.021 -62.639 1.00 51.64 ? 106 VAL O CG1 1 ? ? +20129 ATOM C CG2 . VAL M 13 103 ? 38.616 -13.801 -65.009 1.00 52.09 ? 106 VAL O CG2 1 ? ? +20130 ATOM C C . VAL M 13 103 ? 36.162 -14.073 -62.047 1.00 50.74 ? 106 VAL O C 1 ? ? +20131 ATOM O O . VAL M 13 103 ? 35.194 -13.323 -62.137 1.00 50.77 ? 106 VAL O O 1 ? ? +20132 ATOM N N . THR M 13 104 ? 36.602 -14.555 -60.883 1.00 50.87 ? 107 THR O N 1 ? ? +20133 ATOM C CA . THR M 13 104 ? 36.076 -14.036 -59.633 1.00 50.93 ? 107 THR O CA 1 ? ? +20134 ATOM C CB . THR M 13 104 ? 35.292 -15.073 -58.867 1.00 50.21 ? 107 THR O CB 1 ? ? +20135 ATOM O OG1 . THR M 13 104 ? 34.224 -15.537 -59.716 1.00 50.11 ? 107 THR O OG1 1 ? ? +20136 ATOM C CG2 . THR M 13 104 ? 34.760 -14.530 -57.577 1.00 49.73 ? 107 THR O CG2 1 ? ? +20137 ATOM C C . THR M 13 104 ? 37.227 -13.456 -58.821 1.00 51.91 ? 107 THR O C 1 ? ? +20138 ATOM O O . THR M 13 104 ? 38.182 -14.153 -58.504 1.00 52.17 ? 107 THR O O 1 ? ? +20139 ATOM N N . VAL M 13 105 ? 37.111 -12.168 -58.495 1.00 52.82 ? 108 VAL O N 1 ? ? +20140 ATOM C CA . VAL M 13 105 ? 38.070 -11.495 -57.646 1.00 53.68 ? 108 VAL O CA 1 ? ? +20141 ATOM C CB . VAL M 13 105 ? 38.641 -10.244 -58.322 1.00 54.29 ? 108 VAL O CB 1 ? ? +20142 ATOM C CG1 . VAL M 13 105 ? 39.337 -10.602 -59.616 1.00 54.86 ? 108 VAL O CG1 1 ? ? +20143 ATOM C CG2 . VAL M 13 105 ? 37.557 -9.191 -58.563 1.00 54.34 ? 108 VAL O CG2 1 ? ? +20144 ATOM C C . VAL M 13 105 ? 37.366 -11.159 -56.340 1.00 54.09 ? 108 VAL O C 1 ? ? +20145 ATOM O O . VAL M 13 105 ? 36.142 -11.023 -56.291 1.00 53.51 ? 108 VAL O O 1 ? ? +20146 ATOM N N . GLN M 13 106 ? 38.165 -11.010 -55.289 1.00 55.29 ? 109 GLN O N 1 ? ? +20147 ATOM C CA . GLN M 13 106 ? 37.633 -10.679 -53.982 1.00 56.07 ? 109 GLN O CA 1 ? ? +20148 ATOM C CB . GLN M 13 106 ? 37.959 -11.790 -53.001 1.00 56.00 ? 109 GLN O CB 1 ? ? +20149 ATOM C CG . GLN M 13 106 ? 37.138 -11.737 -51.737 1.00 55.62 ? 109 GLN O CG 1 ? ? +20150 ATOM C CD . GLN M 13 106 ? 37.334 -12.993 -50.952 1.00 55.53 ? 109 GLN O CD 1 ? ? +20151 ATOM O OE1 . GLN M 13 106 ? 36.958 -14.079 -51.378 1.00 55.62 ? 109 GLN O OE1 1 ? ? +20152 ATOM N NE2 . GLN M 13 106 ? 37.964 -12.895 -49.804 1.00 55.89 ? 109 GLN O NE2 1 ? ? +20153 ATOM C C . GLN M 13 106 ? 38.210 -9.346 -53.524 1.00 57.58 ? 109 GLN O C 1 ? ? +20154 ATOM O O . GLN M 13 106 ? 39.410 -9.098 -53.665 1.00 58.68 ? 109 GLN O O 1 ? ? +20155 ATOM N N . MET M 13 107 ? 37.328 -8.488 -53.009 1.00 58.33 ? 110 MET O N 1 ? ? +20156 ATOM C CA . MET M 13 107 ? 37.700 -7.201 -52.457 1.00 59.75 ? 110 MET O CA 1 ? ? +20157 ATOM C CB . MET M 13 107 ? 36.576 -6.200 -52.696 1.00 62.35 ? 110 MET O CB 1 ? ? +20158 ATOM C CG . MET M 13 107 ? 36.404 -5.838 -54.125 1.00 64.95 ? 110 MET O CG 1 ? ? +20159 ATOM S SD . MET M 13 107 ? 35.039 -4.692 -54.243 1.00 70.08 ? 110 MET O SD 1 ? ? +20160 ATOM C CE . MET M 13 107 ? 35.763 -3.317 -53.387 1.00 69.84 ? 110 MET O CE 1 ? ? +20161 ATOM C C . MET M 13 107 ? 37.931 -7.315 -50.957 1.00 58.49 ? 110 MET O C 1 ? ? +20162 ATOM O O . MET M 13 107 ? 37.531 -8.296 -50.332 1.00 57.65 ? 110 MET O O 1 ? ? +20163 ATOM N N . ALA M 13 108 ? 38.553 -6.277 -50.398 1.00 58.55 ? 111 ALA O N 1 ? ? +20164 ATOM C CA . ALA M 13 108 ? 38.822 -6.215 -48.976 1.00 58.57 ? 111 ALA O CA 1 ? ? +20165 ATOM C CB . ALA M 13 108 ? 39.562 -4.943 -48.616 1.00 59.26 ? 111 ALA O CB 1 ? ? +20166 ATOM C C . ALA M 13 108 ? 37.483 -6.269 -48.264 1.00 57.80 ? 111 ALA O C 1 ? ? +20167 ATOM O O . ALA M 13 108 ? 36.587 -5.515 -48.617 1.00 57.59 ? 111 ALA O O 1 ? ? +20168 ATOM N N . GLY M 13 109 ? 37.359 -7.174 -47.289 1.00 57.92 ? 112 GLY O N 1 ? ? +20169 ATOM C CA . GLY M 13 109 ? 36.118 -7.323 -46.549 1.00 58.35 ? 112 GLY O CA 1 ? ? +20170 ATOM C C . GLY M 13 109 ? 35.296 -8.530 -46.991 1.00 58.23 ? 112 GLY O C 1 ? ? +20171 ATOM O O . GLY M 13 109 ? 34.302 -8.861 -46.348 1.00 59.34 ? 112 GLY O O 1 ? ? +20172 ATOM N N . GLY M 13 110 ? 35.701 -9.145 -48.111 1.00 58.43 ? 113 GLY O N 1 ? ? +20173 ATOM C CA . GLY M 13 110 ? 35.222 -10.459 -48.500 1.00 58.39 ? 113 GLY O CA 1 ? ? +20174 ATOM C C . GLY M 13 110 ? 34.280 -10.516 -49.703 1.00 58.53 ? 113 GLY O C 1 ? ? +20175 ATOM O O . GLY M 13 110 ? 34.027 -11.598 -50.235 1.00 58.24 ? 113 GLY O O 1 ? ? +20176 ATOM N N . GLU M 13 111 ? 33.766 -9.359 -50.135 1.00 58.86 ? 114 GLU O N 1 ? ? +20177 ATOM C CA . GLU M 13 111 ? 32.845 -9.315 -51.261 1.00 58.29 ? 114 GLU O CA 1 ? ? +20178 ATOM C CB . GLU M 13 111 ? 32.302 -7.883 -51.473 1.00 60.51 ? 114 GLU O CB 1 ? ? +20179 ATOM C CG . GLU M 13 111 ? 31.249 -7.769 -52.571 1.00 62.86 ? 114 GLU O CG 1 ? ? +20180 ATOM C CD . GLU M 13 111 ? 30.641 -6.386 -52.801 1.00 65.83 ? 114 GLU O CD 1 ? ? +20181 ATOM O OE1 . GLU M 13 111 ? 31.195 -5.393 -52.278 1.00 68.22 ? 114 GLU O OE1 1 ? ? +20182 ATOM O OE2 . GLU M 13 111 ? 29.612 -6.292 -53.515 1.00 67.21 ? 114 GLU O OE2 1 ? ? +20183 ATOM C C . GLU M 13 111 ? 33.518 -9.830 -52.536 1.00 56.41 ? 114 GLU O C 1 ? ? +20184 ATOM O O . GLU M 13 111 ? 34.616 -9.393 -52.885 1.00 56.45 ? 114 GLU O O 1 ? ? +20185 ATOM N N . ARG M 13 112 ? 32.818 -10.739 -53.232 1.00 54.08 ? 115 ARG O N 1 ? ? +20186 ATOM C CA . ARG M 13 112 ? 33.289 -11.382 -54.447 1.00 52.86 ? 115 ARG O CA 1 ? ? +20187 ATOM C CB . ARG M 13 112 ? 32.986 -12.880 -54.402 1.00 52.13 ? 115 ARG O CB 1 ? ? +20188 ATOM C CG . ARG M 13 112 ? 33.900 -13.613 -53.431 1.00 52.02 ? 115 ARG O CG 1 ? ? +20189 ATOM C CD . ARG M 13 112 ? 33.260 -14.841 -52.922 1.00 51.42 ? 115 ARG O CD 1 ? ? +20190 ATOM N NE . ARG M 13 112 ? 34.112 -15.624 -52.038 1.00 51.06 ? 115 ARG O NE 1 ? ? +20191 ATOM C CZ . ARG M 13 112 ? 33.784 -16.832 -51.595 1.00 50.55 ? 115 ARG O CZ 1 ? ? +20192 ATOM N NH1 . ARG M 13 112 ? 32.611 -17.371 -51.867 1.00 50.16 ? 115 ARG O NH1 1 ? ? +20193 ATOM N NH2 . ARG M 13 112 ? 34.661 -17.527 -50.881 1.00 50.73 ? 115 ARG O NH2 1 ? ? +20194 ATOM C C . ARG M 13 112 ? 32.651 -10.762 -55.681 1.00 52.09 ? 115 ARG O C 1 ? ? +20195 ATOM O O . ARG M 13 112 ? 31.443 -10.563 -55.720 1.00 52.28 ? 115 ARG O O 1 ? ? +20196 ATOM N N . ILE M 13 113 ? 33.482 -10.443 -56.674 1.00 51.82 ? 116 ILE O N 1 ? ? +20197 ATOM C CA . ILE M 13 113 ? 33.036 -9.773 -57.880 1.00 51.51 ? 116 ILE O CA 1 ? ? +20198 ATOM C CB . ILE M 13 113 ? 33.750 -8.415 -58.108 1.00 52.13 ? 116 ILE O CB 1 ? ? +20199 ATOM C CG1 . ILE M 13 113 ? 33.717 -7.514 -56.868 1.00 52.10 ? 116 ILE O CG1 1 ? ? +20200 ATOM C CG2 . ILE M 13 113 ? 33.186 -7.690 -59.330 1.00 52.27 ? 116 ILE O CG2 1 ? ? +20201 ATOM C CD1 . ILE M 13 113 ? 32.240 -7.090 -56.480 1.00 51.88 ? 116 ILE O CD1 1 ? ? +20202 ATOM C C . ILE M 13 113 ? 33.299 -10.721 -59.043 1.00 51.21 ? 116 ILE O C 1 ? ? +20203 ATOM O O . ILE M 13 113 ? 34.429 -10.824 -59.517 1.00 51.73 ? 116 ILE O O 1 ? ? +20204 ATOM N N . PRO M 13 114 ? 32.279 -11.469 -59.518 1.00 50.23 ? 117 PRO O N 1 ? ? +20205 ATOM C CA . PRO M 13 114 ? 32.426 -12.229 -60.757 1.00 50.04 ? 117 PRO O CA 1 ? ? +20206 ATOM C CB . PRO M 13 114 ? 31.337 -13.285 -60.630 1.00 49.61 ? 117 PRO O CB 1 ? ? +20207 ATOM C CG . PRO M 13 114 ? 30.319 -12.700 -59.686 1.00 49.25 ? 117 PRO O CG 1 ? ? +20208 ATOM C CD . PRO M 13 114 ? 30.986 -11.686 -58.841 1.00 49.50 ? 117 PRO O CD 1 ? ? +20209 ATOM C C . PRO M 13 114 ? 32.294 -11.321 -61.980 1.00 50.06 ? 117 PRO O C 1 ? ? +20210 ATOM O O . PRO M 13 114 ? 31.457 -10.429 -62.011 1.00 50.11 ? 117 PRO O O 1 ? ? +20211 ATOM N N . LEU M 13 115 ? 33.165 -11.528 -62.971 1.00 50.10 ? 118 LEU O N 1 ? ? +20212 ATOM C CA . LEU M 13 115 ? 33.093 -10.826 -64.242 1.00 50.20 ? 118 LEU O CA 1 ? ? +20213 ATOM C CB . LEU M 13 115 ? 34.076 -9.651 -64.333 1.00 50.70 ? 118 LEU O CB 1 ? ? +20214 ATOM C CG . LEU M 13 115 ? 35.560 -9.987 -64.130 1.00 51.00 ? 118 LEU O CG 1 ? ? +20215 ATOM C CD1 . LEU M 13 115 ? 36.425 -9.126 -64.954 1.00 51.69 ? 118 LEU O CD1 1 ? ? +20216 ATOM C CD2 . LEU M 13 115 ? 35.962 -9.823 -62.700 1.00 50.69 ? 118 LEU O CD2 1 ? ? +20217 ATOM C C . LEU M 13 115 ? 33.393 -11.808 -65.370 1.00 50.19 ? 118 LEU O C 1 ? ? +20218 ATOM O O . LEU M 13 115 ? 33.979 -12.867 -65.151 1.00 49.96 ? 118 LEU O O 1 ? ? +20219 ATOM N N . LEU M 13 116 ? 32.936 -11.452 -66.570 1.00 50.34 ? 119 LEU O N 1 ? ? +20220 ATOM C CA . LEU M 13 116 ? 33.226 -12.218 -67.762 1.00 50.61 ? 119 LEU O CA 1 ? ? +20221 ATOM C CB . LEU M 13 116 ? 31.993 -12.425 -68.642 1.00 50.51 ? 119 LEU O CB 1 ? ? +20222 ATOM C CG . LEU M 13 116 ? 32.172 -13.446 -69.769 1.00 50.80 ? 119 LEU O CG 1 ? ? +20223 ATOM C CD1 . LEU M 13 116 ? 31.979 -14.846 -69.271 1.00 50.38 ? 119 LEU O CD1 1 ? ? +20224 ATOM C CD2 . LEU M 13 116 ? 31.236 -13.170 -70.900 1.00 51.06 ? 119 LEU O CD2 1 ? ? +20225 ATOM C C . LEU M 13 116 ? 34.290 -11.413 -68.494 1.00 51.23 ? 119 LEU O C 1 ? ? +20226 ATOM O O . LEU M 13 116 ? 33.959 -10.511 -69.256 1.00 51.58 ? 119 LEU O O 1 ? ? +20227 ATOM N N . PHE M 13 117 ? 35.558 -11.723 -68.211 1.00 51.37 ? 120 PHE O N 1 ? ? +20228 ATOM C CA . PHE M 13 117 ? 36.677 -11.058 -68.858 1.00 52.04 ? 120 PHE O CA 1 ? ? +20229 ATOM C CB . PHE M 13 117 ? 38.007 -11.428 -68.177 1.00 52.17 ? 120 PHE O CB 1 ? ? +20230 ATOM C CG . PHE M 13 117 ? 39.239 -10.947 -68.903 1.00 52.92 ? 120 PHE O CG 1 ? ? +20231 ATOM C CD1 . PHE M 13 117 ? 39.326 -9.646 -69.368 1.00 53.40 ? 120 PHE O CD1 1 ? ? +20232 ATOM C CD2 . PHE M 13 117 ? 40.315 -11.793 -69.111 1.00 53.27 ? 120 PHE O CD2 1 ? ? +20233 ATOM C CE1 . PHE M 13 117 ? 40.453 -9.202 -70.036 1.00 54.16 ? 120 PHE O CE1 1 ? ? +20234 ATOM C CE2 . PHE M 13 117 ? 41.446 -11.347 -69.780 1.00 54.01 ? 120 PHE O CE2 1 ? ? +20235 ATOM C CZ . PHE M 13 117 ? 41.509 -10.056 -70.239 1.00 54.46 ? 120 PHE O CZ 1 ? ? +20236 ATOM C C . PHE M 13 117 ? 36.680 -11.474 -70.321 1.00 52.48 ? 120 PHE O C 1 ? ? +20237 ATOM O O . PHE M 13 117 ? 36.787 -12.657 -70.620 1.00 52.47 ? 120 PHE O O 1 ? ? +20238 ATOM N N . THR M 13 118 ? 36.558 -10.511 -71.233 1.00 52.94 ? 121 THR O N 1 ? ? +20239 ATOM C CA . THR M 13 118 ? 36.325 -10.856 -72.621 1.00 53.36 ? 121 THR O CA 1 ? ? +20240 ATOM C CB . THR M 13 118 ? 34.812 -11.179 -72.829 1.00 52.91 ? 121 THR O CB 1 ? ? +20241 ATOM O OG1 . THR M 13 118 ? 34.607 -11.762 -74.110 1.00 53.20 ? 121 THR O OG1 1 ? ? +20242 ATOM C CG2 . THR M 13 118 ? 33.929 -9.950 -72.692 1.00 52.84 ? 121 THR O CG2 1 ? ? +20243 ATOM C C . THR M 13 118 ? 36.801 -9.759 -73.561 1.00 54.18 ? 121 THR O C 1 ? ? +20244 ATOM O O . THR M 13 118 ? 37.016 -8.623 -73.141 1.00 54.30 ? 121 THR O O 1 ? ? +20245 ATOM N N . VAL M 13 119 ? 36.972 -10.143 -74.833 1.00 54.81 ? 122 VAL O N 1 ? ? +20246 ATOM C CA . VAL M 13 119 ? 37.112 -9.201 -75.928 1.00 55.65 ? 122 VAL O CA 1 ? ? +20247 ATOM C CB . VAL M 13 119 ? 38.594 -9.027 -76.350 1.00 56.39 ? 122 VAL O CB 1 ? ? +20248 ATOM C CG1 . VAL M 13 119 ? 39.390 -8.337 -75.256 1.00 56.38 ? 122 VAL O CG1 1 ? ? +20249 ATOM C CG2 . VAL M 13 119 ? 39.235 -10.356 -76.737 1.00 56.49 ? 122 VAL O CG2 1 ? ? +20250 ATOM C C . VAL M 13 119 ? 36.236 -9.634 -77.101 1.00 55.94 ? 122 VAL O C 1 ? ? +20251 ATOM O O . VAL M 13 119 ? 36.569 -9.388 -78.252 1.00 56.59 ? 122 VAL O O 1 ? ? +20252 ATOM N N . LYS M 13 120 ? 35.094 -10.257 -76.801 1.00 55.62 ? 123 LYS O N 1 ? ? +20253 ATOM C CA . LYS M 13 120 ? 34.181 -10.733 -77.829 1.00 55.98 ? 123 LYS O CA 1 ? ? +20254 ATOM C CB . LYS M 13 120 ? 32.887 -11.307 -77.209 1.00 55.13 ? 123 LYS O CB 1 ? ? +20255 ATOM C CG . LYS M 13 120 ? 33.045 -12.717 -76.688 1.00 54.62 ? 123 LYS O CG 1 ? ? +20256 ATOM C CD . LYS M 13 120 ? 31.733 -13.299 -76.164 1.00 53.91 ? 123 LYS O CD 1 ? ? +20257 ATOM C CE . LYS M 13 120 ? 31.883 -14.674 -75.602 1.00 53.41 ? 123 LYS O CE 1 ? ? +20258 ATOM N NZ . LYS M 13 120 ? 32.311 -15.633 -76.652 1.00 53.78 ? 123 LYS O NZ 1 ? ? +20259 ATOM C C . LYS M 13 120 ? 33.808 -9.632 -78.820 1.00 56.96 ? 123 LYS O C 1 ? ? +20260 ATOM O O . LYS M 13 120 ? 33.397 -8.546 -78.419 1.00 57.02 ? 123 LYS O O 1 ? ? +20261 ATOM N N . ASN M 13 121 ? 33.941 -9.942 -80.115 1.00 57.93 ? 124 ASN O N 1 ? ? +20262 ATOM C CA . ASN M 13 121 ? 33.599 -9.025 -81.189 1.00 58.96 ? 124 ASN O CA 1 ? ? +20263 ATOM C CB . ASN M 13 121 ? 32.122 -8.691 -81.156 1.00 58.84 ? 124 ASN O CB 1 ? ? +20264 ATOM C CG . ASN M 13 121 ? 31.323 -9.941 -81.265 1.00 58.73 ? 124 ASN O CG 1 ? ? +20265 ATOM O OD1 . ASN M 13 121 ? 31.513 -10.718 -82.194 1.00 59.45 ? 124 ASN O OD1 1 ? ? +20266 ATOM N ND2 . ASN M 13 121 ? 30.475 -10.223 -80.312 1.00 58.18 ? 124 ASN O ND2 1 ? ? +20267 ATOM C C . ASN M 13 121 ? 34.443 -7.758 -81.146 1.00 59.73 ? 124 ASN O C 1 ? ? +20268 ATOM O O . ASN M 13 121 ? 33.974 -6.675 -81.503 1.00 59.90 ? 124 ASN O O 1 ? ? +20269 ATOM N N . LEU M 13 122 ? 35.707 -7.927 -80.734 1.00 60.32 ? 125 LEU O N 1 ? ? +20270 ATOM C CA . LEU M 13 122 ? 36.644 -6.821 -80.660 1.00 61.03 ? 125 LEU O CA 1 ? ? +20271 ATOM C CB . LEU M 13 122 ? 37.994 -7.279 -80.112 1.00 61.11 ? 125 LEU O CB 1 ? ? +20272 ATOM C CG . LEU M 13 122 ? 39.092 -6.242 -80.068 1.00 61.77 ? 125 LEU O CG 1 ? ? +20273 ATOM C CD1 . LEU M 13 122 ? 38.749 -5.122 -79.118 1.00 61.49 ? 125 LEU O CD1 1 ? ? +20274 ATOM C CD2 . LEU M 13 122 ? 40.399 -6.876 -79.658 1.00 61.93 ? 125 LEU O CD2 1 ? ? +20275 ATOM C C . LEU M 13 122 ? 36.800 -6.221 -82.048 1.00 62.15 ? 125 LEU O C 1 ? ? +20276 ATOM O O . LEU M 13 122 ? 36.933 -6.957 -83.017 1.00 62.47 ? 125 LEU O O 1 ? ? +20277 ATOM N N . VAL M 13 123 ? 36.698 -4.889 -82.115 1.00 63.09 ? 126 VAL O N 1 ? ? +20278 ATOM C CA . VAL M 13 123 ? 37.127 -4.113 -83.268 1.00 64.63 ? 126 VAL O CA 1 ? ? +20279 ATOM C CB . VAL M 13 123 ? 35.956 -3.449 -84.011 1.00 64.72 ? 126 VAL O CB 1 ? ? +20280 ATOM C CG1 . VAL M 13 123 ? 36.443 -2.619 -85.183 1.00 65.68 ? 126 VAL O CG1 1 ? ? +20281 ATOM C CG2 . VAL M 13 123 ? 34.948 -4.488 -84.477 1.00 64.41 ? 126 VAL O CG2 1 ? ? +20282 ATOM C C . VAL M 13 123 ? 38.109 -3.081 -82.727 1.00 65.73 ? 126 VAL O C 1 ? ? +20283 ATOM O O . VAL M 13 123 ? 37.751 -2.293 -81.861 1.00 65.72 ? 126 VAL O O 1 ? ? +20284 ATOM N N . ALA M 13 124 ? 39.347 -3.105 -83.224 1.00 67.42 ? 127 ALA O N 1 ? ? +20285 ATOM C CA . ALA M 13 124 ? 40.405 -2.279 -82.669 1.00 68.96 ? 127 ALA O CA 1 ? ? +20286 ATOM C CB . ALA M 13 124 ? 41.246 -3.088 -81.702 1.00 68.76 ? 127 ALA O CB 1 ? ? +20287 ATOM C C . ALA M 13 124 ? 41.288 -1.690 -83.762 1.00 71.03 ? 127 ALA O C 1 ? ? +20288 ATOM O O . ALA M 13 124 ? 41.829 -2.423 -84.585 1.00 71.73 ? 127 ALA O O 1 ? ? +20289 ATOM N N . SER M 13 125 ? 41.430 -0.359 -83.731 1.00 72.73 ? 128 SER O N 1 ? ? +20290 ATOM C CA . SER M 13 125 ? 42.142 0.386 -84.755 1.00 74.57 ? 128 SER O CA 1 ? ? +20291 ATOM C CB . SER M 13 125 ? 41.220 1.412 -85.394 1.00 74.95 ? 128 SER O CB 1 ? ? +20292 ATOM O OG . SER M 13 125 ? 40.201 0.734 -86.109 1.00 75.11 ? 128 SER O OG 1 ? ? +20293 ATOM C C . SER M 13 125 ? 43.368 1.093 -84.198 1.00 75.65 ? 128 SER O C 1 ? ? +20294 ATOM O O . SER M 13 125 ? 43.424 1.382 -83.007 1.00 74.87 ? 128 SER O O 1 ? ? +20295 ATOM N N . THR M 13 126 ? 44.337 1.345 -85.084 1.00 77.86 ? 129 THR O N 1 ? ? +20296 ATOM C CA . THR M 13 126 ? 45.484 2.186 -84.790 1.00 79.44 ? 129 THR O CA 1 ? ? +20297 ATOM C CB . THR M 13 126 ? 46.728 1.664 -85.520 1.00 79.91 ? 129 THR O CB 1 ? ? +20298 ATOM O OG1 . THR M 13 126 ? 46.484 1.678 -86.928 1.00 80.55 ? 129 THR O OG1 1 ? ? +20299 ATOM C CG2 . THR M 13 126 ? 47.121 0.281 -85.069 1.00 79.30 ? 129 THR O CG2 1 ? ? +20300 ATOM C C . THR M 13 126 ? 45.192 3.632 -85.181 1.00 81.62 ? 129 THR O C 1 ? ? +20301 ATOM O O . THR M 13 126 ? 44.120 3.953 -85.682 1.00 81.15 ? 129 THR O O 1 ? ? +20302 ATOM N N . GLN M 13 127 ? 46.169 4.505 -84.930 1.00 85.05 ? 130 GLN O N 1 ? ? +20303 ATOM C CA . GLN M 13 127 ? 46.170 5.847 -85.488 1.00 87.78 ? 130 GLN O CA 1 ? ? +20304 ATOM C CB . GLN M 13 127 ? 47.209 6.751 -84.783 1.00 90.58 ? 130 GLN O CB 1 ? ? +20305 ATOM C CG . GLN M 13 127 ? 48.647 6.190 -84.732 1.00 93.50 ? 130 GLN O CG 1 ? ? +20306 ATOM C CD . GLN M 13 127 ? 48.940 5.394 -83.447 1.00 95.31 ? 130 GLN O CD 1 ? ? +20307 ATOM O OE1 . GLN M 13 127 ? 48.254 4.443 -83.120 1.00 94.76 ? 130 GLN O OE1 1 ? ? +20308 ATOM N NE2 . GLN M 13 127 ? 49.971 5.749 -82.669 1.00 97.63 ? 130 GLN O NE2 1 ? ? +20309 ATOM C C . GLN M 13 127 ? 46.426 5.734 -86.993 1.00 87.98 ? 130 GLN O C 1 ? ? +20310 ATOM O O . GLN M 13 127 ? 46.781 4.662 -87.481 1.00 87.40 ? 130 GLN O O 1 ? ? +20311 ATOM N N . PRO M 13 128 ? 46.180 6.806 -87.786 1.00 88.21 ? 131 PRO O N 1 ? ? +20312 ATOM C CA . PRO M 13 128 ? 46.405 6.774 -89.233 1.00 88.72 ? 131 PRO O CA 1 ? ? +20313 ATOM C CB . PRO M 13 128 ? 45.857 8.132 -89.698 1.00 89.14 ? 131 PRO O CB 1 ? ? +20314 ATOM C CG . PRO M 13 128 ? 44.943 8.579 -88.603 1.00 88.42 ? 131 PRO O CG 1 ? ? +20315 ATOM C CD . PRO M 13 128 ? 45.571 8.074 -87.354 1.00 88.06 ? 131 PRO O CD 1 ? ? +20316 ATOM C C . PRO M 13 128 ? 47.853 6.607 -89.687 1.00 89.03 ? 131 PRO O C 1 ? ? +20317 ATOM O O . PRO M 13 128 ? 48.780 6.716 -88.892 1.00 88.49 ? 131 PRO O O 1 ? ? +20318 ATOM N N . ASN M 13 129 ? 48.009 6.333 -90.989 1.00 89.91 ? 132 ASN O N 1 ? ? +20319 ATOM C CA . ASN M 13 129 ? 49.301 6.250 -91.655 1.00 91.51 ? 132 ASN O CA 1 ? ? +20320 ATOM C CB . ASN M 13 129 ? 49.888 7.656 -91.916 1.00 93.44 ? 132 ASN O CB 1 ? ? +20321 ATOM C CG . ASN M 13 129 ? 49.003 8.605 -92.691 1.00 94.74 ? 132 ASN O CG 1 ? ? +20322 ATOM O OD1 . ASN M 13 129 ? 48.950 8.597 -93.933 1.00 95.53 ? 132 ASN O OD1 1 ? ? +20323 ATOM N ND2 . ASN M 13 129 ? 48.323 9.491 -91.966 1.00 95.17 ? 132 ASN O ND2 1 ? ? +20324 ATOM C C . ASN M 13 129 ? 50.324 5.424 -90.878 1.00 90.46 ? 132 ASN O C 1 ? ? +20325 ATOM O O . ASN M 13 129 ? 51.356 5.941 -90.453 1.00 91.74 ? 132 ASN O O 1 ? ? +20326 ATOM N N . VAL M 13 130 ? 50.024 4.136 -90.697 1.00 88.59 ? 133 VAL O N 1 ? ? +20327 ATOM C CA . VAL M 13 130 ? 50.962 3.213 -90.084 1.00 87.35 ? 133 VAL O CA 1 ? ? +20328 ATOM C CB . VAL M 13 130 ? 50.326 2.293 -89.012 1.00 86.31 ? 133 VAL O CB 1 ? ? +20329 ATOM C CG1 . VAL M 13 130 ? 50.083 3.053 -87.711 1.00 85.63 ? 133 VAL O CG1 1 ? ? +20330 ATOM C CG2 . VAL M 13 130 ? 49.043 1.648 -89.492 1.00 86.19 ? 133 VAL O CG2 1 ? ? +20331 ATOM C C . VAL M 13 130 ? 51.627 2.432 -91.211 1.00 86.72 ? 133 VAL O C 1 ? ? +20332 ATOM O O . VAL M 13 130 ? 51.157 1.357 -91.588 1.00 85.78 ? 133 VAL O O 1 ? ? +20333 ATOM N N . THR M 13 131 ? 52.716 3.007 -91.745 1.00 86.34 ? 134 THR O N 1 ? ? +20334 ATOM C CA . THR M 13 131 ? 53.527 2.350 -92.756 1.00 86.19 ? 134 THR O CA 1 ? ? +20335 ATOM C CB . THR M 13 131 ? 54.664 3.263 -93.255 1.00 87.65 ? 134 THR O CB 1 ? ? +20336 ATOM O OG1 . THR M 13 131 ? 55.680 3.355 -92.252 1.00 87.90 ? 134 THR O OG1 1 ? ? +20337 ATOM C CG2 . THR M 13 131 ? 54.189 4.666 -93.627 1.00 88.04 ? 134 THR O CG2 1 ? ? +20338 ATOM C C . THR M 13 131 ? 54.095 1.059 -92.169 1.00 84.95 ? 134 THR O C 1 ? ? +20339 ATOM O O . THR M 13 131 ? 54.143 0.035 -92.844 1.00 84.26 ? 134 THR O O 1 ? ? +20340 ATOM N N . SER M 13 132 ? 54.516 1.143 -90.899 1.00 84.22 ? 135 SER O N 1 ? ? +20341 ATOM C CA . SER M 13 132 ? 55.125 0.040 -90.175 1.00 83.76 ? 135 SER O CA 1 ? ? +20342 ATOM C CB . SER M 13 132 ? 56.637 0.238 -90.073 1.00 84.94 ? 135 SER O CB 1 ? ? +20343 ATOM O OG . SER M 13 132 ? 57.290 0.449 -91.318 1.00 86.35 ? 135 SER O OG 1 ? ? +20344 ATOM C C . SER M 13 132 ? 54.533 -0.054 -88.769 1.00 82.62 ? 135 SER O C 1 ? ? +20345 ATOM O O . SER M 13 132 ? 54.251 0.967 -88.149 1.00 82.37 ? 135 SER O O 1 ? ? +20346 ATOM N N . ILE M 13 133 ? 54.349 -1.281 -88.269 1.00 81.62 ? 136 ILE O N 1 ? ? +20347 ATOM C CA . ILE M 13 133 ? 53.998 -1.478 -86.873 1.00 80.57 ? 136 ILE O CA 1 ? ? +20348 ATOM C CB . ILE M 13 133 ? 53.255 -2.827 -86.655 1.00 79.47 ? 136 ILE O CB 1 ? ? +20349 ATOM C CG1 . ILE M 13 133 ? 51.846 -2.771 -87.254 1.00 78.80 ? 136 ILE O CG1 1 ? ? +20350 ATOM C CG2 . ILE M 13 133 ? 53.190 -3.206 -85.174 1.00 78.53 ? 136 ILE O CG2 1 ? ? +20351 ATOM C CD1 . ILE M 13 133 ? 51.223 -4.061 -87.454 1.00 78.17 ? 136 ILE O CD1 1 ? ? +20352 ATOM C C . ILE M 13 133 ? 55.273 -1.359 -86.044 1.00 81.12 ? 136 ILE O C 1 ? ? +20353 ATOM O O . ILE M 13 133 ? 56.206 -2.121 -86.262 1.00 81.65 ? 136 ILE O O 1 ? ? +20354 ATOM N N . THR M 13 134 ? 55.288 -0.398 -85.109 1.00 81.57 ? 137 THR O N 1 ? ? +20355 ATOM C CA . THR M 13 134 ? 56.436 -0.123 -84.254 1.00 82.72 ? 137 THR O CA 1 ? ? +20356 ATOM C CB . THR M 13 134 ? 57.073 1.231 -84.585 1.00 83.33 ? 137 THR O CB 1 ? ? +20357 ATOM O OG1 . THR M 13 134 ? 56.059 2.215 -84.376 1.00 82.95 ? 137 THR O OG1 1 ? ? +20358 ATOM C CG2 . THR M 13 134 ? 57.664 1.281 -85.975 1.00 83.98 ? 137 THR O CG2 1 ? ? +20359 ATOM C C . THR M 13 134 ? 56.016 -0.123 -82.787 1.00 82.58 ? 137 THR O C 1 ? ? +20360 ATOM O O . THR M 13 134 ? 54.844 -0.348 -82.488 1.00 81.79 ? 137 THR O O 1 ? ? +20361 ATOM N N . THR M 13 135 ? 56.974 0.166 -81.892 1.00 83.70 ? 138 THR O N 1 ? ? +20362 ATOM C CA . THR M 13 135 ? 56.712 0.257 -80.464 1.00 84.14 ? 138 THR O CA 1 ? ? +20363 ATOM C CB . THR M 13 135 ? 58.019 0.302 -79.660 1.00 84.25 ? 138 THR O CB 1 ? ? +20364 ATOM O OG1 . THR M 13 135 ? 58.610 1.589 -79.817 1.00 84.81 ? 138 THR O OG1 1 ? ? +20365 ATOM C CG2 . THR M 13 135 ? 59.007 -0.770 -80.075 1.00 85.22 ? 138 THR O CG2 1 ? ? +20366 ATOM C C . THR M 13 135 ? 55.864 1.478 -80.100 1.00 85.26 ? 138 THR O C 1 ? ? +20367 ATOM O O . THR M 13 135 ? 55.436 1.621 -78.952 1.00 86.48 ? 138 THR O O 1 ? ? +20368 ATOM N N . SER M 13 136 ? 55.670 2.373 -81.079 1.00 86.28 ? 139 SER O N 1 ? ? +20369 ATOM C CA . SER M 13 136 ? 54.816 3.537 -80.921 1.00 86.10 ? 139 SER O CA 1 ? ? +20370 ATOM C CB . SER M 13 136 ? 55.382 4.730 -81.688 1.00 87.23 ? 139 SER O CB 1 ? ? +20371 ATOM O OG . SER M 13 136 ? 55.303 4.545 -83.091 1.00 88.21 ? 139 SER O OG 1 ? ? +20372 ATOM C C . SER M 13 136 ? 53.387 3.275 -81.385 1.00 85.30 ? 139 SER O C 1 ? ? +20373 ATOM O O . SER M 13 136 ? 52.505 4.097 -81.155 1.00 84.29 ? 139 SER O O 1 ? ? +20374 ATOM N N . THR M 13 137 ? 53.167 2.140 -82.057 1.00 85.37 ? 140 THR O N 1 ? ? +20375 ATOM C CA . THR M 13 137 ? 51.847 1.792 -82.557 1.00 84.60 ? 140 THR O CA 1 ? ? +20376 ATOM C CB . THR M 13 137 ? 51.929 0.669 -83.587 1.00 84.66 ? 140 THR O CB 1 ? ? +20377 ATOM O OG1 . THR M 13 137 ? 53.001 0.927 -84.473 1.00 85.15 ? 140 THR O OG1 1 ? ? +20378 ATOM C CG2 . THR M 13 137 ? 50.661 0.537 -84.384 1.00 84.84 ? 140 THR O CG2 1 ? ? +20379 ATOM C C . THR M 13 137 ? 50.947 1.425 -81.380 1.00 83.35 ? 140 THR O C 1 ? ? +20380 ATOM O O . THR M 13 137 ? 51.391 0.781 -80.430 1.00 82.37 ? 140 THR O O 1 ? ? +20381 ATOM N N . ASP M 13 138 ? 49.684 1.859 -81.451 1.00 83.41 ? 141 ASP O N 1 ? ? +20382 ATOM C CA . ASP M 13 138 ? 48.736 1.644 -80.370 1.00 83.01 ? 141 ASP O CA 1 ? ? +20383 ATOM C CB . ASP M 13 138 ? 48.685 2.911 -79.454 1.00 85.40 ? 141 ASP O CB 1 ? ? +20384 ATOM C CG . ASP M 13 138 ? 49.966 3.022 -78.599 1.00 88.42 ? 141 ASP O CG 1 ? ? +20385 ATOM O OD1 . ASP M 13 138 ? 50.371 2.029 -78.056 1.00 90.32 ? 141 ASP O OD1 1 ? ? +20386 ATOM O OD2 . ASP M 13 138 ? 50.611 4.111 -78.562 1.00 91.67 ? 141 ASP O OD2 1 ? ? +20387 ATOM C C . ASP M 13 138 ? 47.373 1.279 -80.944 1.00 80.72 ? 141 ASP O C 1 ? ? +20388 ATOM O O . ASP M 13 138 ? 46.932 1.882 -81.914 1.00 81.06 ? 141 ASP O O 1 ? ? +20389 ATOM N N . PHE M 13 139 ? 46.731 0.265 -80.360 1.00 78.69 ? 142 PHE O N 1 ? ? +20390 ATOM C CA . PHE M 13 139 ? 45.384 -0.128 -80.751 1.00 77.28 ? 142 PHE O CA 1 ? ? +20391 ATOM C CB . PHE M 13 139 ? 45.304 -1.647 -80.935 1.00 76.25 ? 142 PHE O CB 1 ? ? +20392 ATOM C CG . PHE M 13 139 ? 45.944 -2.197 -82.186 1.00 76.22 ? 142 PHE O CG 1 ? ? +20393 ATOM C CD1 . PHE M 13 139 ? 45.226 -2.298 -83.357 1.00 76.17 ? 142 PHE O CD1 1 ? ? +20394 ATOM C CD2 . PHE M 13 139 ? 47.258 -2.628 -82.183 1.00 76.21 ? 142 PHE O CD2 1 ? ? +20395 ATOM C CE1 . PHE M 13 139 ? 45.802 -2.830 -84.498 1.00 76.69 ? 142 PHE O CE1 1 ? ? +20396 ATOM C CE2 . PHE M 13 139 ? 47.833 -3.154 -83.329 1.00 76.89 ? 142 PHE O CE2 1 ? ? +20397 ATOM C CZ . PHE M 13 139 ? 47.106 -3.248 -84.481 1.00 77.15 ? 142 PHE O CZ 1 ? ? +20398 ATOM C C . PHE M 13 139 ? 44.366 0.305 -79.699 1.00 76.23 ? 142 PHE O C 1 ? ? +20399 ATOM O O . PHE M 13 139 ? 44.538 0.020 -78.520 1.00 75.01 ? 142 PHE O O 1 ? ? +20400 ATOM N N . LYS M 13 140 ? 43.300 0.980 -80.136 1.00 77.02 ? 143 LYS O N 1 ? ? +20401 ATOM C CA . LYS M 13 140 ? 42.159 1.265 -79.278 1.00 76.93 ? 143 LYS O CA 1 ? ? +20402 ATOM C CB . LYS M 13 140 ? 41.997 2.778 -79.067 1.00 80.11 ? 143 LYS O CB 1 ? ? +20403 ATOM C CG . LYS M 13 140 ? 42.941 3.319 -77.998 1.00 83.43 ? 143 LYS O CG 1 ? ? +20404 ATOM C CD . LYS M 13 140 ? 42.503 4.719 -77.452 1.00 86.47 ? 143 LYS O CD 1 ? ? +20405 ATOM C CE . LYS M 13 140 ? 42.439 4.817 -75.906 1.00 88.22 ? 143 LYS O CE 1 ? ? +20406 ATOM N NZ . LYS M 13 140 ? 43.776 5.096 -75.289 1.00 89.91 ? 143 LYS O NZ 1 ? ? +20407 ATOM C C . LYS M 13 140 ? 40.895 0.669 -79.884 1.00 73.85 ? 143 LYS O C 1 ? ? +20408 ATOM O O . LYS M 13 140 ? 40.708 0.728 -81.091 1.00 73.04 ? 143 LYS O O 1 ? ? +20409 ATOM N N . GLY M 13 141 ? 40.036 0.093 -79.041 1.00 72.12 ? 144 GLY O N 1 ? ? +20410 ATOM C CA . GLY M 13 141 ? 38.879 -0.627 -79.546 1.00 71.21 ? 144 GLY O CA 1 ? ? +20411 ATOM C C . GLY M 13 141 ? 37.739 -0.875 -78.567 1.00 69.83 ? 144 GLY O C 1 ? ? +20412 ATOM O O . GLY M 13 141 ? 37.844 -0.594 -77.376 1.00 69.05 ? 144 GLY O O 1 ? ? +20413 ATOM N N . GLU M 13 142 ? 36.644 -1.407 -79.114 1.00 69.79 ? 145 GLU O N 1 ? ? +20414 ATOM C CA . GLU M 13 142 ? 35.457 -1.759 -78.356 1.00 68.86 ? 145 GLU O CA 1 ? ? +20415 ATOM C CB . GLU M 13 142 ? 34.237 -0.970 -78.822 1.00 71.37 ? 145 GLU O CB 1 ? ? +20416 ATOM C CG . GLU M 13 142 ? 34.208 0.493 -78.450 1.00 73.89 ? 145 GLU O CG 1 ? ? +20417 ATOM C CD . GLU M 13 142 ? 32.854 1.142 -78.706 1.00 76.47 ? 145 GLU O CD 1 ? ? +20418 ATOM O OE1 . GLU M 13 142 ? 31.855 0.416 -78.941 1.00 76.56 ? 145 GLU O OE1 1 ? ? +20419 ATOM O OE2 . GLU M 13 142 ? 32.796 2.391 -78.673 1.00 79.79 ? 145 GLU O OE2 1 ? ? +20420 ATOM C C . GLU M 13 142 ? 35.139 -3.235 -78.552 1.00 66.36 ? 145 GLU O C 1 ? ? +20421 ATOM O O . GLU M 13 142 ? 35.384 -3.787 -79.620 1.00 66.10 ? 145 GLU O O 1 ? ? +20422 ATOM N N . PHE M 13 143 ? 34.550 -3.846 -77.524 1.00 64.14 ? 146 PHE O N 1 ? ? +20423 ATOM C CA . PHE M 13 143 ? 34.092 -5.222 -77.588 1.00 62.75 ? 146 PHE O CA 1 ? ? +20424 ATOM C CB . PHE M 13 143 ? 35.135 -6.148 -76.971 1.00 62.01 ? 146 PHE O CB 1 ? ? +20425 ATOM C CG . PHE M 13 143 ? 35.586 -5.768 -75.583 1.00 61.33 ? 146 PHE O CG 1 ? ? +20426 ATOM C CD1 . PHE M 13 143 ? 36.600 -4.856 -75.394 1.00 61.80 ? 146 PHE O CD1 1 ? ? +20427 ATOM C CD2 . PHE M 13 143 ? 34.993 -6.328 -74.467 1.00 60.54 ? 146 PHE O CD2 1 ? ? +20428 ATOM C CE1 . PHE M 13 143 ? 37.018 -4.508 -74.114 1.00 61.47 ? 146 PHE O CE1 1 ? ? +20429 ATOM C CE2 . PHE M 13 143 ? 35.408 -5.974 -73.191 1.00 60.24 ? 146 PHE O CE2 1 ? ? +20430 ATOM C CZ . PHE M 13 143 ? 36.422 -5.068 -73.022 1.00 60.60 ? 146 PHE O CZ 1 ? ? +20431 ATOM C C . PHE M 13 143 ? 32.743 -5.358 -76.880 1.00 61.71 ? 146 PHE O C 1 ? ? +20432 ATOM O O . PHE M 13 143 ? 32.298 -4.427 -76.220 1.00 61.55 ? 146 PHE O O 1 ? ? +20433 ATOM N N . ASN M 13 144 ? 32.095 -6.519 -77.030 1.00 60.97 ? 147 ASN O N 1 ? ? +20434 ATOM C CA . ASN M 13 144 ? 30.838 -6.804 -76.346 1.00 60.02 ? 147 ASN O CA 1 ? ? +20435 ATOM C CB . ASN M 13 144 ? 29.856 -7.570 -77.227 1.00 60.22 ? 147 ASN O CB 1 ? ? +20436 ATOM C CG . ASN M 13 144 ? 29.420 -6.759 -78.415 1.00 61.40 ? 147 ASN O CG 1 ? ? +20437 ATOM O OD1 . ASN M 13 144 ? 29.114 -5.565 -78.312 1.00 62.17 ? 147 ASN O OD1 1 ? ? +20438 ATOM N ND2 . ASN M 13 144 ? 29.405 -7.367 -79.584 1.00 62.04 ? 147 ASN O ND2 1 ? ? +20439 ATOM C C . ASN M 13 144 ? 31.067 -7.602 -75.069 1.00 58.63 ? 147 ASN O C 1 ? ? +20440 ATOM O O . ASN M 13 144 ? 31.978 -8.421 -74.991 1.00 58.57 ? 147 ASN O O 1 ? ? +20441 ATOM N N . VAL M 13 145 ? 30.217 -7.347 -74.074 1.00 57.49 ? 148 VAL O N 1 ? ? +20442 ATOM C CA . VAL M 13 145 ? 30.258 -8.064 -72.811 1.00 56.28 ? 148 VAL O CA 1 ? ? +20443 ATOM C CB . VAL M 13 145 ? 30.713 -7.175 -71.636 1.00 56.07 ? 148 VAL O CB 1 ? ? +20444 ATOM C CG1 . VAL M 13 145 ? 30.803 -7.977 -70.342 1.00 55.22 ? 148 VAL O CG1 1 ? ? +20445 ATOM C CG2 . VAL M 13 145 ? 32.048 -6.495 -71.960 1.00 56.88 ? 148 VAL O CG2 1 ? ? +20446 ATOM C C . VAL M 13 145 ? 28.868 -8.639 -72.589 1.00 55.14 ? 148 VAL O C 1 ? ? +20447 ATOM O O . VAL M 13 145 ? 28.000 -7.968 -72.039 1.00 54.99 ? 148 VAL O O 1 ? ? +20448 ATOM N N . PRO M 13 146 ? 28.609 -9.885 -73.041 1.00 54.46 ? 149 PRO O N 1 ? ? +20449 ATOM C CA . PRO M 13 146 ? 27.321 -10.520 -72.790 1.00 53.67 ? 149 PRO O CA 1 ? ? +20450 ATOM C CB . PRO M 13 146 ? 27.370 -11.778 -73.645 1.00 53.86 ? 149 PRO O CB 1 ? ? +20451 ATOM C CG . PRO M 13 146 ? 28.848 -12.065 -73.821 1.00 54.22 ? 149 PRO O CG 1 ? ? +20452 ATOM C CD . PRO M 13 146 ? 29.527 -10.736 -73.820 1.00 54.70 ? 149 PRO O CD 1 ? ? +20453 ATOM C C . PRO M 13 146 ? 27.172 -10.832 -71.309 1.00 52.70 ? 149 PRO O C 1 ? ? +20454 ATOM O O . PRO M 13 146 ? 28.134 -10.788 -70.551 1.00 52.88 ? 149 PRO O O 1 ? ? +20455 ATOM N N . SER M 13 147 ? 25.943 -11.134 -70.919 1.00 51.80 ? 150 SER O N 1 ? ? +20456 ATOM C CA . SER M 13 147 ? 25.647 -11.624 -69.591 1.00 50.85 ? 150 SER O CA 1 ? ? +20457 ATOM C CB . SER M 13 147 ? 24.204 -12.114 -69.545 1.00 50.46 ? 150 SER O CB 1 ? ? +20458 ATOM O OG . SER M 13 147 ? 23.893 -12.703 -68.304 1.00 49.80 ? 150 SER O OG 1 ? ? +20459 ATOM C C . SER M 13 147 ? 26.606 -12.737 -69.176 1.00 50.45 ? 150 SER O C 1 ? ? +20460 ATOM O O . SER M 13 147 ? 26.899 -13.640 -69.948 1.00 50.54 ? 150 SER O O 1 ? ? +20461 ATOM N N . TYR M 13 148 ? 27.069 -12.652 -67.932 1.00 49.99 ? 151 TYR O N 1 ? ? +20462 ATOM C CA . TYR M 13 148 ? 27.972 -13.622 -67.341 1.00 49.78 ? 151 TYR O CA 1 ? ? +20463 ATOM C CB . TYR M 13 148 ? 28.263 -13.123 -65.931 1.00 49.42 ? 151 TYR O CB 1 ? ? +20464 ATOM C CG . TYR M 13 148 ? 29.127 -14.005 -65.082 1.00 49.22 ? 151 TYR O CG 1 ? ? +20465 ATOM C CD1 . TYR M 13 148 ? 30.518 -14.029 -65.245 1.00 49.57 ? 151 TYR O CD1 1 ? ? +20466 ATOM C CD2 . TYR M 13 148 ? 28.574 -14.784 -64.083 1.00 48.68 ? 151 TYR O CD2 1 ? ? +20467 ATOM C CE1 . TYR M 13 148 ? 31.318 -14.833 -64.442 1.00 49.36 ? 151 TYR O CE1 1 ? ? +20468 ATOM C CE2 . TYR M 13 148 ? 29.363 -15.589 -63.281 1.00 48.59 ? 151 TYR O CE2 1 ? ? +20469 ATOM C CZ . TYR M 13 148 ? 30.731 -15.605 -63.461 1.00 48.89 ? 151 TYR O CZ 1 ? ? +20470 ATOM O OH . TYR M 13 148 ? 31.424 -16.422 -62.632 1.00 48.88 ? 151 TYR O OH 1 ? ? +20471 ATOM C C . TYR M 13 148 ? 27.401 -15.041 -67.369 1.00 49.53 ? 151 TYR O C 1 ? ? +20472 ATOM O O . TYR M 13 148 ? 28.095 -15.981 -67.747 1.00 49.75 ? 151 TYR O O 1 ? ? +20473 ATOM N N A ARG M 13 149 ? 26.136 -15.180 -66.955 0.40 49.10 ? 152 ARG O N 1 ? ? +20474 ATOM N N B ARG M 13 149 ? 26.136 -15.178 -66.961 0.60 49.10 ? 152 ARG O N 1 ? ? +20475 ATOM C CA A ARG M 13 149 ? 25.365 -16.397 -67.152 0.40 48.85 ? 152 ARG O CA 1 ? ? +20476 ATOM C CA B ARG M 13 149 ? 25.367 -16.397 -67.154 0.60 48.84 ? 152 ARG O CA 1 ? ? +20477 ATOM C C A ARG M 13 149 ? 24.523 -16.246 -68.417 0.40 49.07 ? 152 ARG O C 1 ? ? +20478 ATOM C C B ARG M 13 149 ? 24.523 -16.246 -68.418 0.60 49.07 ? 152 ARG O C 1 ? ? +20479 ATOM O O A ARG M 13 149 ? 24.028 -15.156 -68.705 0.40 49.28 ? 152 ARG O O 1 ? ? +20480 ATOM O O B ARG M 13 149 ? 24.027 -15.156 -68.709 0.60 49.29 ? 152 ARG O O 1 ? ? +20481 ATOM C CB A ARG M 13 149 ? 24.430 -16.656 -65.958 0.40 48.32 ? 152 ARG O CB 1 ? ? +20482 ATOM C CB B ARG M 13 149 ? 24.435 -16.656 -65.956 0.60 48.32 ? 152 ARG O CB 1 ? ? +20483 ATOM C CG A ARG M 13 149 ? 25.059 -16.424 -64.587 0.40 48.04 ? 152 ARG O CG 1 ? ? +20484 ATOM C CG B ARG M 13 149 ? 25.068 -16.455 -64.582 0.60 48.01 ? 152 ARG O CG 1 ? ? +20485 ATOM C CD A ARG M 13 149 ? 26.072 -17.480 -64.214 0.40 47.97 ? 152 ARG O CD 1 ? ? +20486 ATOM C CD B ARG M 13 149 ? 26.096 -17.503 -64.237 0.60 47.95 ? 152 ARG O CD 1 ? ? +20487 ATOM N NE A ARG M 13 149 ? 26.360 -17.449 -62.786 0.40 47.62 ? 152 ARG O NE 1 ? ? +20488 ATOM N NE B ARG M 13 149 ? 26.389 -17.488 -62.810 0.60 47.59 ? 152 ARG O NE 1 ? ? +20489 ATOM C CZ A ARG M 13 149 ? 27.143 -18.317 -62.161 0.40 47.51 ? 152 ARG O CZ 1 ? ? +20490 ATOM C CZ B ARG M 13 149 ? 27.172 -18.361 -62.191 0.60 47.45 ? 152 ARG O CZ 1 ? ? +20491 ATOM N NH1 A ARG M 13 149 ? 27.996 -19.078 -62.823 0.40 47.82 ? 152 ARG O NH1 1 ? ? +20492 ATOM N NH1 B ARG M 13 149 ? 28.051 -19.093 -62.854 0.60 47.78 ? 152 ARG O NH1 1 ? ? +20493 ATOM N NH2 A ARG M 13 149 ? 27.075 -18.416 -60.837 0.40 47.13 ? 152 ARG O NH2 1 ? ? +20494 ATOM N NH2 B ARG M 13 149 ? 27.081 -18.494 -60.872 0.60 47.07 ? 152 ARG O NH2 1 ? ? +20495 ATOM N N . THR M 13 150 ? 24.357 -17.343 -69.166 1.00 49.07 ? 153 THR O N 1 ? ? +20496 ATOM C CA . THR M 13 150 ? 23.543 -17.325 -70.374 1.00 49.23 ? 153 THR O CA 1 ? ? +20497 ATOM C CB . THR M 13 150 ? 24.239 -18.088 -71.498 1.00 49.56 ? 153 THR O CB 1 ? ? +20498 ATOM O OG1 . THR M 13 150 ? 24.186 -19.464 -71.232 1.00 49.24 ? 153 THR O OG1 1 ? ? +20499 ATOM C CG2 . THR M 13 150 ? 25.722 -17.665 -71.696 1.00 49.90 ? 153 THR O CG2 1 ? ? +20500 ATOM C C . THR M 13 150 ? 22.129 -17.803 -70.021 1.00 48.77 ? 153 THR O C 1 ? ? +20501 ATOM O O . THR M 13 150 ? 21.828 -18.068 -68.859 1.00 48.23 ? 153 THR O O 1 ? ? +20502 ATOM N N . ALA M 13 151 ? 21.251 -17.891 -71.024 1.00 48.93 ? 154 ALA O N 1 ? ? +20503 ATOM C CA . ALA M 13 151 ? 19.814 -17.894 -70.779 1.00 48.64 ? 154 ALA O CA 1 ? ? +20504 ATOM C CB . ALA M 13 151 ? 19.053 -17.847 -72.094 1.00 49.07 ? 154 ALA O CB 1 ? ? +20505 ATOM C C . ALA M 13 151 ? 19.292 -19.062 -69.950 1.00 48.14 ? 154 ALA O C 1 ? ? +20506 ATOM O O . ALA M 13 151 ? 18.316 -18.901 -69.233 1.00 47.97 ? 154 ALA O O 1 ? ? +20507 ATOM N N A ASN M 13 152 ? 19.961 -20.219 -70.041 0.40 48.11 ? 155 ASN O N 1 ? ? +20508 ATOM N N B ASN M 13 152 ? 19.959 -20.217 -70.049 0.60 48.11 ? 155 ASN O N 1 ? ? +20509 ATOM C CA A ASN M 13 152 ? 19.522 -21.436 -69.376 0.40 47.69 ? 155 ASN O CA 1 ? ? +20510 ATOM C CA B ASN M 13 152 ? 19.522 -21.440 -69.393 0.60 47.70 ? 155 ASN O CA 1 ? ? +20511 ATOM C C A ASN M 13 152 ? 19.879 -21.527 -67.896 0.40 47.16 ? 155 ASN O C 1 ? ? +20512 ATOM C C B ASN M 13 152 ? 19.872 -21.537 -67.913 0.60 47.15 ? 155 ASN O C 1 ? ? +20513 ATOM O O A ASN M 13 152 ? 19.450 -22.453 -67.217 0.40 46.89 ? 155 ASN O O 1 ? ? +20514 ATOM O O B ASN M 13 152 ? 19.433 -22.464 -67.242 0.60 46.91 ? 155 ASN O O 1 ? ? +20515 ATOM C CB A ASN M 13 152 ? 20.123 -22.649 -70.062 0.40 47.93 ? 155 ASN O CB 1 ? ? +20516 ATOM C CB B ASN M 13 152 ? 20.125 -22.653 -70.084 0.60 47.96 ? 155 ASN O CB 1 ? ? +20517 ATOM C CG A ASN M 13 152 ? 19.446 -23.033 -71.347 0.40 48.36 ? 155 ASN O CG 1 ? ? +20518 ATOM C CG B ASN M 13 152 ? 19.458 -23.033 -71.375 0.60 48.41 ? 155 ASN O CG 1 ? ? +20519 ATOM O OD1 A ASN M 13 152 ? 18.447 -22.431 -71.788 0.40 48.53 ? 155 ASN O OD1 1 ? ? +20520 ATOM O OD1 B ASN M 13 152 ? 18.458 -22.428 -71.830 0.60 48.59 ? 155 ASN O OD1 1 ? ? +20521 ATOM N ND2 A ASN M 13 152 ? 19.979 -24.077 -71.971 0.40 48.57 ? 155 ASN O ND2 1 ? ? +20522 ATOM N ND2 B ASN M 13 152 ? 20.002 -24.079 -71.992 0.60 48.63 ? 155 ASN O ND2 1 ? ? +20523 ATOM N N A PHE M 13 153 ? 20.682 -20.582 -67.403 0.40 47.07 ? 156 PHE O N 1 ? ? +20524 ATOM N N B PHE M 13 153 ? 20.674 -20.598 -67.410 0.60 47.06 ? 156 PHE O N 1 ? ? +20525 ATOM C CA A PHE M 13 153 ? 21.163 -20.639 -66.034 0.40 46.63 ? 156 PHE O CA 1 ? ? +20526 ATOM C CA B PHE M 13 153 ? 21.150 -20.664 -66.040 0.60 46.62 ? 156 PHE O CA 1 ? ? +20527 ATOM C C A PHE M 13 153 ? 20.022 -20.503 -65.029 0.40 46.15 ? 156 PHE O C 1 ? ? +20528 ATOM C C B PHE M 13 153 ? 20.003 -20.541 -65.040 0.60 46.13 ? 156 PHE O C 1 ? ? +20529 ATOM O O A PHE M 13 153 ? 19.233 -19.566 -65.094 0.40 46.18 ? 156 PHE O O 1 ? ? +20530 ATOM O O B PHE M 13 153 ? 19.216 -19.606 -65.110 0.60 46.16 ? 156 PHE O O 1 ? ? +20531 ATOM C CB A PHE M 13 153 ? 22.204 -19.545 -65.784 0.40 46.77 ? 156 PHE O CB 1 ? ? +20532 ATOM C CB B PHE M 13 153 ? 22.176 -19.560 -65.779 0.60 46.77 ? 156 PHE O CB 1 ? ? +20533 ATOM C CG A PHE M 13 153 ? 22.878 -19.654 -64.442 0.40 46.49 ? 156 PHE O CG 1 ? ? +20534 ATOM C CG B PHE M 13 153 ? 22.864 -19.680 -64.446 0.60 46.53 ? 156 PHE O CG 1 ? ? +20535 ATOM C CD1 A PHE M 13 153 ? 23.945 -20.511 -64.252 0.40 46.57 ? 156 PHE O CD1 1 ? ? +20536 ATOM C CD1 B PHE M 13 153 ? 23.953 -20.514 -64.283 0.60 46.65 ? 156 PHE O CD1 1 ? ? +20537 ATOM C CD2 A PHE M 13 153 ? 22.433 -18.915 -63.366 0.40 46.21 ? 156 PHE O CD2 1 ? ? +20538 ATOM C CD2 B PHE M 13 153 ? 22.413 -18.970 -63.350 0.60 46.26 ? 156 PHE O CD2 1 ? ? +20539 ATOM C CE1 A PHE M 13 153 ? 24.562 -20.607 -63.013 0.40 46.32 ? 156 PHE O CE1 1 ? ? +20540 ATOM C CE1 B PHE M 13 153 ? 24.588 -20.617 -63.050 0.60 46.42 ? 156 PHE O CE1 1 ? ? +20541 ATOM C CE2 A PHE M 13 153 ? 23.044 -19.021 -62.129 0.40 45.96 ? 156 PHE O CE2 1 ? ? +20542 ATOM C CE2 B PHE M 13 153 ? 23.035 -19.087 -62.120 0.60 46.02 ? 156 PHE O CE2 1 ? ? +20543 ATOM C CZ A PHE M 13 153 ? 24.106 -19.862 -61.959 0.40 46.01 ? 156 PHE O CZ 1 ? ? +20544 ATOM C CZ B PHE M 13 153 ? 24.118 -19.905 -61.974 0.60 46.10 ? 156 PHE O CZ 1 ? ? +20545 ATOM N N A LEU M 13 154 ? 19.971 -21.445 -64.086 0.40 45.75 ? 157 LEU O N 1 ? ? +20546 ATOM N N B LEU M 13 154 ? 19.942 -21.487 -64.101 0.60 45.72 ? 157 LEU O N 1 ? ? +20547 ATOM C CA A LEU M 13 154 ? 18.945 -21.480 -63.062 0.40 45.33 ? 157 LEU O CA 1 ? ? +20548 ATOM C CA B LEU M 13 154 ? 18.926 -21.516 -63.066 0.60 45.30 ? 157 LEU O CA 1 ? ? +20549 ATOM C C A LEU M 13 154 ? 19.487 -21.032 -61.708 0.40 44.96 ? 157 LEU O C 1 ? ? +20550 ATOM C C B LEU M 13 154 ? 19.478 -21.063 -61.718 0.60 44.92 ? 157 LEU O C 1 ? ? +20551 ATOM O O A LEU M 13 154 ? 20.516 -21.532 -61.261 0.40 44.98 ? 157 LEU O O 1 ? ? +20552 ATOM O O B LEU M 13 154 ? 20.494 -21.585 -61.266 0.60 44.97 ? 157 LEU O O 1 ? ? +20553 ATOM C CB A LEU M 13 154 ? 18.422 -22.904 -62.952 0.40 45.21 ? 157 LEU O CB 1 ? ? +20554 ATOM C CB B LEU M 13 154 ? 18.403 -22.945 -62.940 0.60 45.19 ? 157 LEU O CB 1 ? ? +20555 ATOM C CG A LEU M 13 154 ? 17.764 -23.449 -64.196 0.40 45.53 ? 157 LEU O CG 1 ? ? +20556 ATOM C CG B LEU M 13 154 ? 17.689 -23.509 -64.152 0.60 45.49 ? 157 LEU O CG 1 ? ? +20557 ATOM C CD1 A LEU M 13 154 ? 17.377 -24.888 -64.008 0.40 45.43 ? 157 LEU O CD1 1 ? ? +20558 ATOM C CD1 B LEU M 13 154 ? 17.157 -24.896 -63.863 0.60 45.38 ? 157 LEU O CD1 1 ? ? +20559 ATOM C CD2 A LEU M 13 154 ? 16.536 -22.631 -64.577 0.40 45.61 ? 157 LEU O CD2 1 ? ? +20560 ATOM C CD2 B LEU M 13 154 ? 16.541 -22.622 -64.591 0.60 45.58 ? 157 LEU O CD2 1 ? ? +20561 ATOM N N A ASP M 13 155 ? 18.783 -20.101 -61.053 0.40 44.68 ? 158 ASP O N 1 ? ? +20562 ATOM N N B ASP M 13 155 ? 18.790 -20.114 -61.066 0.60 44.63 ? 158 ASP O N 1 ? ? +20563 ATOM C CA A ASP M 13 155 ? 19.198 -19.635 -59.741 0.40 44.30 ? 158 ASP O CA 1 ? ? +20564 ATOM C CA B ASP M 13 155 ? 19.198 -19.646 -59.751 0.60 44.21 ? 158 ASP O CA 1 ? ? +20565 ATOM C C A ASP M 13 155 ? 18.842 -20.704 -58.715 0.40 43.86 ? 158 ASP O C 1 ? ? +20566 ATOM C C B ASP M 13 155 ? 18.847 -20.716 -58.722 0.60 43.77 ? 158 ASP O C 1 ? ? +20567 ATOM O O A ASP M 13 155 ? 18.255 -21.727 -59.058 0.40 43.83 ? 158 ASP O O 1 ? ? +20568 ATOM O O B ASP M 13 155 ? 18.256 -21.737 -59.063 0.60 43.72 ? 158 ASP O O 1 ? ? +20569 ATOM C CB A ASP M 13 155 ? 18.610 -18.255 -59.401 0.40 44.30 ? 158 ASP O CB 1 ? ? +20570 ATOM C CB B ASP M 13 155 ? 18.605 -18.261 -59.425 0.60 44.21 ? 158 ASP O CB 1 ? ? +20571 ATOM C CG A ASP M 13 155 ? 17.149 -18.188 -58.986 0.40 44.18 ? 158 ASP O CG 1 ? ? +20572 ATOM C CG B ASP M 13 155 ? 17.147 -18.185 -58.987 0.60 44.11 ? 158 ASP O CG 1 ? ? +20573 ATOM O OD1 A ASP M 13 155 ? 16.528 -19.260 -58.807 0.40 44.06 ? 158 ASP O OD1 1 ? ? +20574 ATOM O OD1 B ASP M 13 155 ? 16.519 -19.254 -58.801 0.60 44.00 ? 158 ASP O OD1 1 ? ? +20575 ATOM O OD2 A ASP M 13 155 ? 16.636 -17.063 -58.826 0.40 44.19 ? 158 ASP O OD2 1 ? ? +20576 ATOM O OD2 B ASP M 13 155 ? 16.641 -17.058 -58.826 0.60 44.11 ? 158 ASP O OD2 1 ? ? +20577 ATOM N N A PRO M 13 156 ? 19.261 -20.538 -57.443 0.40 43.54 ? 159 PRO O N 1 ? ? +20578 ATOM N N B PRO M 13 156 ? 19.271 -20.558 -57.449 0.60 43.45 ? 159 PRO O N 1 ? ? +20579 ATOM C CA A PRO M 13 156 ? 19.095 -21.576 -56.427 0.40 43.25 ? 159 PRO O CA 1 ? ? +20580 ATOM C CA B PRO M 13 156 ? 19.094 -21.601 -56.440 0.60 43.18 ? 159 PRO O CA 1 ? ? +20581 ATOM C C A PRO M 13 156 ? 17.658 -21.946 -56.059 0.40 43.05 ? 159 PRO O C 1 ? ? +20582 ATOM C C B PRO M 13 156 ? 17.654 -21.954 -56.064 0.60 43.00 ? 159 PRO O C 1 ? ? +20583 ATOM O O A PRO M 13 156 ? 17.438 -22.955 -55.399 0.40 42.81 ? 159 PRO O O 1 ? ? +20584 ATOM O O B PRO M 13 156 ? 17.428 -22.962 -55.405 0.60 42.74 ? 159 PRO O O 1 ? ? +20585 ATOM C CB A PRO M 13 156 ? 19.834 -20.987 -55.222 0.40 43.07 ? 159 PRO O CB 1 ? ? +20586 ATOM C CB B PRO M 13 156 ? 19.860 -21.039 -55.238 0.60 43.00 ? 159 PRO O CB 1 ? ? +20587 ATOM C CG A PRO M 13 156 ? 20.771 -19.957 -55.801 0.40 43.33 ? 159 PRO O CG 1 ? ? +20588 ATOM C CG B PRO M 13 156 ? 20.788 -20.014 -55.804 0.60 43.26 ? 159 PRO O CG 1 ? ? +20589 ATOM C CD A PRO M 13 156 ? 20.011 -19.377 -56.942 0.40 43.56 ? 159 PRO O CD 1 ? ? +20590 ATOM C CD B PRO M 13 156 ? 20.030 -19.412 -56.931 0.60 43.48 ? 159 PRO O CD 1 ? ? +20591 ATOM N N . LYS M 13 157 ? 16.688 -21.130 -56.481 1.00 43.15 ? 160 LYS O N 1 ? ? +20592 ATOM C CA . LYS M 13 157 ? 15.274 -21.455 -56.304 1.00 43.12 ? 160 LYS O CA 1 ? ? +20593 ATOM C CB . LYS M 13 157 ? 14.487 -20.269 -55.722 1.00 42.86 ? 160 LYS O CB 1 ? ? +20594 ATOM C CG . LYS M 13 157 ? 14.832 -19.940 -54.291 1.00 42.50 ? 160 LYS O CG 1 ? ? +20595 ATOM C CD . LYS M 13 157 ? 14.740 -21.132 -53.325 1.00 42.28 ? 160 LYS O CD 1 ? ? +20596 ATOM C CE . LYS M 13 157 ? 13.341 -21.743 -53.304 1.00 42.28 ? 160 LYS O CE 1 ? ? +20597 ATOM N NZ . LYS M 13 157 ? 13.106 -22.626 -52.142 1.00 42.06 ? 160 LYS O NZ 1 ? ? +20598 ATOM C C . LYS M 13 157 ? 14.646 -21.930 -57.610 1.00 43.66 ? 160 LYS O C 1 ? ? +20599 ATOM O O . LYS M 13 157 ? 13.439 -22.070 -57.686 1.00 43.87 ? 160 LYS O O 1 ? ? +20600 ATOM N N . GLY M 13 158 ? 15.465 -22.213 -58.627 1.00 44.11 ? 161 GLY O N 1 ? ? +20601 ATOM C CA . GLY M 13 158 ? 14.982 -22.811 -59.861 1.00 44.60 ? 161 GLY O CA 1 ? ? +20602 ATOM C C . GLY M 13 158 ? 14.404 -21.828 -60.880 1.00 45.16 ? 161 GLY O C 1 ? ? +20603 ATOM O O . GLY M 13 158 ? 13.774 -22.240 -61.855 1.00 45.36 ? 161 GLY O O 1 ? ? +20604 ATOM N N . ARG M 13 159 ? 14.647 -20.526 -60.662 1.00 45.49 ? 162 ARG O N 1 ? ? +20605 ATOM C CA . ARG M 13 159 ? 14.171 -19.491 -61.570 1.00 45.94 ? 162 ARG O CA 1 ? ? +20606 ATOM C CB . ARG M 13 159 ? 13.847 -18.211 -60.796 1.00 45.86 ? 162 ARG O CB 1 ? ? +20607 ATOM C CG . ARG M 13 159 ? 12.867 -18.410 -59.664 1.00 45.65 ? 162 ARG O CG 1 ? ? +20608 ATOM C CD . ARG M 13 159 ? 12.737 -17.163 -58.837 1.00 45.56 ? 162 ARG O CD 1 ? ? +20609 ATOM N NE . ARG M 13 159 ? 13.924 -16.941 -58.033 1.00 45.31 ? 162 ARG O NE 1 ? ? +20610 ATOM C CZ . ARG M 13 159 ? 14.022 -16.046 -57.064 1.00 45.25 ? 162 ARG O CZ 1 ? ? +20611 ATOM N NH1 . ARG M 13 159 ? 12.979 -15.339 -56.664 1.00 45.28 ? 162 ARG O NH1 1 ? ? +20612 ATOM N NH2 . ARG M 13 159 ? 15.193 -15.882 -56.453 1.00 45.22 ? 162 ARG O NH2 1 ? ? +20613 ATOM C C . ARG M 13 159 ? 15.221 -19.174 -62.630 1.00 46.42 ? 162 ARG O C 1 ? ? +20614 ATOM O O . ARG M 13 159 ? 16.422 -19.187 -62.345 1.00 46.26 ? 162 ARG O O 1 ? ? +20615 ATOM N N . GLY M 13 160 ? 14.757 -18.863 -63.845 1.00 46.89 ? 163 GLY O N 1 ? ? +20616 ATOM C CA . GLY M 13 160 ? 15.678 -18.585 -64.933 1.00 47.42 ? 163 GLY O CA 1 ? ? +20617 ATOM C C . GLY M 13 160 ? 14.999 -17.783 -66.030 1.00 47.99 ? 163 GLY O C 1 ? ? +20618 ATOM O O . GLY M 13 160 ? 13.867 -17.358 -65.865 1.00 48.07 ? 163 GLY O O 1 ? ? +20619 ATOM N N . LEU M 13 161 ? 15.701 -17.616 -67.152 1.00 48.68 ? 164 LEU O N 1 ? ? +20620 ATOM C CA . LEU M 13 161 ? 15.217 -16.837 -68.277 1.00 49.26 ? 164 LEU O CA 1 ? ? +20621 ATOM C CB . LEU M 13 161 ? 16.398 -16.014 -68.872 1.00 49.70 ? 164 LEU O CB 1 ? ? +20622 ATOM C CG . LEU M 13 161 ? 16.083 -15.128 -70.094 1.00 50.29 ? 164 LEU O CG 1 ? ? +20623 ATOM C CD1 . LEU M 13 161 ? 14.715 -14.363 -69.943 1.00 50.27 ? 164 LEU O CD1 1 ? ? +20624 ATOM C CD2 . LEU M 13 161 ? 17.203 -14.152 -70.338 1.00 50.51 ? 164 LEU O CD2 1 ? ? +20625 ATOM C C . LEU M 13 161 ? 14.586 -17.740 -69.332 1.00 49.54 ? 164 LEU O C 1 ? ? +20626 ATOM O O . LEU M 13 161 ? 13.387 -17.651 -69.566 1.00 49.81 ? 164 LEU O O 1 ? ? +20627 ATOM N N . ALA M 13 162 ? 15.399 -18.592 -69.970 1.00 49.62 ? 165 ALA O N 1 ? ? +20628 ATOM C CA . ALA M 13 162 ? 14.911 -19.468 -71.023 1.00 49.94 ? 165 ALA O CA 1 ? ? +20629 ATOM C CB . ALA M 13 162 ? 15.992 -19.735 -72.033 1.00 50.24 ? 165 ALA O CB 1 ? ? +20630 ATOM C C . ALA M 13 162 ? 14.390 -20.778 -70.438 1.00 49.83 ? 165 ALA O C 1 ? ? +20631 ATOM O O . ALA M 13 162 ? 13.827 -21.618 -71.143 1.00 50.09 ? 165 ALA O O 1 ? ? +20632 ATOM N N . SER M 13 163 ? 14.603 -20.944 -69.134 1.00 49.53 ? 166 SER O N 1 ? ? +20633 ATOM C CA . SER M 13 163 ? 14.136 -22.113 -68.422 1.00 49.44 ? 166 SER O CA 1 ? ? +20634 ATOM C CB . SER M 13 163 ? 15.162 -23.224 -68.496 1.00 49.51 ? 166 SER O CB 1 ? ? +20635 ATOM O OG . SER M 13 163 ? 14.638 -24.392 -67.903 1.00 49.47 ? 166 SER O OG 1 ? ? +20636 ATOM C C . SER M 13 163 ? 13.845 -21.708 -66.980 1.00 49.14 ? 166 SER O C 1 ? ? +20637 ATOM O O . SER M 13 163 ? 14.182 -20.609 -66.561 1.00 49.24 ? 166 SER O O 1 ? ? +20638 ATOM N N . GLY M 13 164 ? 13.198 -22.589 -66.228 1.00 48.94 ? 167 GLY O N 1 ? ? +20639 ATOM C CA . GLY M 13 164 ? 13.006 -22.346 -64.813 1.00 48.63 ? 167 GLY O CA 1 ? ? +20640 ATOM C C . GLY M 13 164 ? 11.602 -21.879 -64.454 1.00 48.81 ? 167 GLY O C 1 ? ? +20641 ATOM O O . GLY M 13 164 ? 10.775 -21.610 -65.321 1.00 49.41 ? 167 GLY O O 1 ? ? +20642 ATOM N N . TYR M 13 165 ? 11.369 -21.792 -63.144 1.00 48.51 ? 168 TYR O N 1 ? ? +20643 ATOM C CA . TYR M 13 165 ? 10.168 -21.200 -62.589 1.00 48.38 ? 168 TYR O CA 1 ? ? +20644 ATOM C CB . TYR M 13 165 ? 10.144 -21.425 -61.083 1.00 47.77 ? 168 TYR O CB 1 ? ? +20645 ATOM C CG . TYR M 13 165 ? 10.253 -22.857 -60.621 1.00 47.23 ? 168 TYR O CG 1 ? ? +20646 ATOM C CD1 . TYR M 13 165 ? 9.336 -23.809 -61.028 1.00 47.21 ? 168 TYR O CD1 1 ? ? +20647 ATOM C CD2 . TYR M 13 165 ? 11.239 -23.246 -59.722 1.00 46.79 ? 168 TYR O CD2 1 ? ? +20648 ATOM C CE1 . TYR M 13 165 ? 9.400 -25.116 -60.567 1.00 46.98 ? 168 TYR O CE1 1 ? ? +20649 ATOM C CE2 . TYR M 13 165 ? 11.321 -24.553 -59.263 1.00 46.51 ? 168 TYR O CE2 1 ? ? +20650 ATOM C CZ . TYR M 13 165 ? 10.396 -25.486 -59.684 1.00 46.66 ? 168 TYR O CZ 1 ? ? +20651 ATOM O OH . TYR M 13 165 ? 10.452 -26.778 -59.234 1.00 46.49 ? 168 TYR O OH 1 ? ? +20652 ATOM C C . TYR M 13 165 ? 10.137 -19.696 -62.860 1.00 48.57 ? 168 TYR O C 1 ? ? +20653 ATOM O O . TYR M 13 165 ? 11.185 -19.067 -62.982 1.00 48.27 ? 168 TYR O O 1 ? ? +20654 ATOM N N . ASP M 13 166 ? 8.931 -19.112 -62.914 1.00 48.64 ? 169 ASP O N 1 ? ? +20655 ATOM C CA . ASP M 13 166 ? 8.812 -17.685 -63.152 1.00 48.65 ? 169 ASP O CA 1 ? ? +20656 ATOM C CB . ASP M 13 166 ? 7.883 -17.397 -64.331 1.00 49.30 ? 169 ASP O CB 1 ? ? +20657 ATOM C CG . ASP M 13 166 ? 6.380 -17.663 -64.144 1.00 49.64 ? 169 ASP O CG 1 ? ? +20658 ATOM O OD1 . ASP M 13 166 ? 5.982 -18.226 -63.088 1.00 49.56 ? 169 ASP O OD1 1 ? ? +20659 ATOM O OD2 . ASP M 13 166 ? 5.618 -17.304 -65.037 1.00 50.08 ? 169 ASP O OD2 1 ? ? +20660 ATOM C C . ASP M 13 166 ? 8.354 -16.948 -61.899 1.00 48.21 ? 169 ASP O C 1 ? ? +20661 ATOM O O . ASP M 13 166 ? 7.928 -15.804 -61.988 1.00 48.82 ? 169 ASP O O 1 ? ? +20662 ATOM N N . SER M 13 167 ? 8.469 -17.591 -60.729 1.00 47.51 ? 170 SER O N 1 ? ? +20663 ATOM C CA . SER M 13 167 ? 8.007 -16.998 -59.483 1.00 47.01 ? 170 SER O CA 1 ? ? +20664 ATOM C CB . SER M 13 167 ? 6.482 -17.113 -59.358 1.00 47.20 ? 170 SER O CB 1 ? ? +20665 ATOM O OG . SER M 13 167 ? 6.084 -18.470 -59.300 1.00 47.10 ? 170 SER O OG 1 ? ? +20666 ATOM C C . SER M 13 167 ? 8.678 -17.663 -58.290 1.00 46.26 ? 170 SER O C 1 ? ? +20667 ATOM O O . SER M 13 167 ? 9.401 -18.631 -58.461 1.00 46.42 ? 170 SER O O 1 ? ? +20668 ATOM N N . ALA M 13 168 ? 8.444 -17.109 -57.097 1.00 45.62 ? 171 ALA O N 1 ? ? +20669 ATOM C CA . ALA M 13 168 ? 8.977 -17.638 -55.858 1.00 44.96 ? 171 ALA O CA 1 ? ? +20670 ATOM C CB . ALA M 13 168 ? 9.171 -16.523 -54.846 1.00 44.66 ? 171 ALA O CB 1 ? ? +20671 ATOM C C . ALA M 13 168 ? 8.030 -18.695 -55.309 1.00 44.78 ? 171 ALA O C 1 ? ? +20672 ATOM O O . ALA M 13 168 ? 7.217 -18.411 -54.440 1.00 44.82 ? 171 ALA O O 1 ? ? +20673 ATOM N N . ILE M 13 169 ? 8.163 -19.930 -55.792 1.00 44.76 ? 172 ILE O N 1 ? ? +20674 ATOM C CA . ILE M 13 169 ? 7.230 -20.996 -55.468 1.00 44.65 ? 172 ILE O CA 1 ? ? +20675 ATOM C CB . ILE M 13 169 ? 7.509 -22.244 -56.331 1.00 44.67 ? 172 ILE O CB 1 ? ? +20676 ATOM C CG1 . ILE M 13 169 ? 8.884 -22.916 -55.993 1.00 44.33 ? 172 ILE O CG1 1 ? ? +20677 ATOM C CG2 . ILE M 13 169 ? 7.400 -21.891 -57.811 1.00 44.99 ? 172 ILE O CG2 1 ? ? +20678 ATOM C CD1 . ILE M 13 169 ? 8.990 -24.318 -56.462 1.00 44.35 ? 172 ILE O CD1 1 ? ? +20679 ATOM C C . ILE M 13 169 ? 7.184 -21.381 -53.993 1.00 44.48 ? 172 ILE O C 1 ? ? +20680 ATOM O O . ILE M 13 169 ? 6.186 -21.934 -53.549 1.00 45.01 ? 172 ILE O O 1 ? ? +20681 ATOM N N . ALA M 13 170 ? 8.244 -21.089 -53.240 1.00 44.23 ? 173 ALA O N 1 ? ? +20682 ATOM C CA . ALA M 13 170 ? 8.299 -21.361 -51.813 1.00 43.91 ? 173 ALA O CA 1 ? ? +20683 ATOM C CB . ALA M 13 170 ? 9.758 -21.304 -51.306 1.00 43.56 ? 173 ALA O CB 1 ? ? +20684 ATOM C C . ALA M 13 170 ? 7.453 -20.395 -50.990 1.00 43.98 ? 173 ALA O C 1 ? ? +20685 ATOM O O . ALA M 13 170 ? 7.188 -20.674 -49.823 1.00 43.73 ? 173 ALA O O 1 ? ? +20686 ATOM N N . LEU M 13 171 ? 7.078 -19.255 -51.590 1.00 44.46 ? 174 LEU O N 1 ? ? +20687 ATOM C CA . LEU M 13 171 ? 6.243 -18.253 -50.948 1.00 44.92 ? 174 LEU O CA 1 ? ? +20688 ATOM C CB . LEU M 13 171 ? 6.987 -16.941 -50.900 1.00 45.05 ? 174 LEU O CB 1 ? ? +20689 ATOM C CG . LEU M 13 171 ? 8.389 -17.047 -50.257 1.00 45.01 ? 174 LEU O CG 1 ? ? +20690 ATOM C CD1 . LEU M 13 171 ? 9.203 -15.818 -50.521 1.00 45.11 ? 174 LEU O CD1 1 ? ? +20691 ATOM C CD2 . LEU M 13 171 ? 8.274 -17.291 -48.756 1.00 44.83 ? 174 LEU O CD2 1 ? ? +20692 ATOM C C . LEU M 13 171 ? 4.931 -18.115 -51.719 1.00 45.56 ? 174 LEU O C 1 ? ? +20693 ATOM O O . LEU M 13 171 ? 4.690 -17.105 -52.372 1.00 45.76 ? 174 LEU O O 1 ? ? +20694 ATOM N N . PRO M 13 172 ? 4.050 -19.140 -51.675 1.00 45.95 ? 175 PRO O N 1 ? ? +20695 ATOM C CA . PRO M 13 172 ? 2.860 -19.182 -52.527 1.00 46.76 ? 175 PRO O CA 1 ? ? +20696 ATOM C CB . PRO M 13 172 ? 2.052 -20.328 -51.912 1.00 46.65 ? 175 PRO O CB 1 ? ? +20697 ATOM C CG . PRO M 13 172 ? 3.090 -21.200 -51.288 1.00 46.32 ? 175 PRO O CG 1 ? ? +20698 ATOM C CD . PRO M 13 172 ? 4.151 -20.306 -50.786 1.00 45.74 ? 175 PRO O CD 1 ? ? +20699 ATOM C C . PRO M 13 172 ? 2.010 -17.917 -52.578 1.00 47.43 ? 175 PRO O C 1 ? ? +20700 ATOM O O . PRO M 13 172 ? 1.526 -17.545 -53.644 1.00 47.85 ? 175 PRO O O 1 ? ? +20701 ATOM N N . GLN M 13 173 ? 1.818 -17.275 -51.424 1.00 48.03 ? 176 GLN O N 1 ? ? +20702 ATOM C CA . GLN M 13 173 ? 0.909 -16.146 -51.341 1.00 49.25 ? 176 GLN O CA 1 ? ? +20703 ATOM C CB . GLN M 13 173 ? -0.297 -16.481 -50.429 1.00 49.05 ? 176 GLN O CB 1 ? ? +20704 ATOM C CG . GLN M 13 173 ? -1.246 -17.473 -51.028 1.00 48.94 ? 176 GLN O CG 1 ? ? +20705 ATOM C CD . GLN M 13 173 ? -2.195 -16.814 -51.982 1.00 49.38 ? 176 GLN O CD 1 ? ? +20706 ATOM O OE1 . GLN M 13 173 ? -1.801 -16.214 -52.978 1.00 49.30 ? 176 GLN O OE1 1 ? ? +20707 ATOM N NE2 . GLN M 13 173 ? -3.510 -16.941 -51.697 1.00 49.56 ? 176 GLN O NE2 1 ? ? +20708 ATOM C C . GLN M 13 173 ? 1.620 -14.880 -50.874 1.00 50.57 ? 176 GLN O C 1 ? ? +20709 ATOM O O . GLN M 13 173 ? 0.994 -13.981 -50.323 1.00 51.16 ? 176 GLN O O 1 ? ? +20710 ATOM N N . ALA M 13 174 ? 2.928 -14.796 -51.130 1.00 52.05 ? 177 ALA O N 1 ? ? +20711 ATOM C CA . ALA M 13 174 ? 3.636 -13.536 -50.999 1.00 53.47 ? 177 ALA O CA 1 ? ? +20712 ATOM C CB . ALA M 13 174 ? 5.136 -13.757 -51.008 1.00 53.04 ? 177 ALA O CB 1 ? ? +20713 ATOM C C . ALA M 13 174 ? 3.223 -12.604 -52.139 1.00 55.77 ? 177 ALA O C 1 ? ? +20714 ATOM O O . ALA M 13 174 ? 2.850 -13.060 -53.218 1.00 56.07 ? 177 ALA O O 1 ? ? +20715 ATOM N N . LYS M 13 175 ? 3.290 -11.291 -51.887 1.00 58.50 ? 178 LYS O N 1 ? ? +20716 ATOM C CA . LYS M 13 175 ? 3.070 -10.300 -52.926 1.00 61.18 ? 178 LYS O CA 1 ? ? +20717 ATOM C CB . LYS M 13 175 ? 2.880 -8.901 -52.320 1.00 62.37 ? 178 LYS O CB 1 ? ? +20718 ATOM C CG . LYS M 13 175 ? 1.495 -8.720 -51.734 1.00 64.01 ? 178 LYS O CG 1 ? ? +20719 ATOM C CD . LYS M 13 175 ? 1.116 -7.262 -51.430 1.00 65.68 ? 178 LYS O CD 1 ? ? +20720 ATOM C CE . LYS M 13 175 ? -0.419 -7.071 -51.482 1.00 66.61 ? 178 LYS O CE 1 ? ? +20721 ATOM N NZ . LYS M 13 175 ? -1.144 -8.088 -50.659 1.00 66.24 ? 178 LYS O NZ 1 ? ? +20722 ATOM C C . LYS M 13 175 ? 4.230 -10.332 -53.919 1.00 62.74 ? 178 LYS O C 1 ? ? +20723 ATOM O O . LYS M 13 175 ? 5.384 -10.107 -53.549 1.00 63.34 ? 178 LYS O O 1 ? ? +20724 ATOM N N A GLU M 13 176 ? 3.896 -10.604 -55.185 0.50 64.56 ? 179 GLU O N 1 ? ? +20725 ATOM N N B GLU M 13 176 ? 3.901 -10.609 -55.185 0.50 63.59 ? 179 GLU O N 1 ? ? +20726 ATOM C CA A GLU M 13 176 ? 4.873 -10.805 -56.241 0.50 66.02 ? 179 GLU O CA 1 ? ? +20727 ATOM C CA B GLU M 13 176 ? 4.895 -10.804 -56.225 0.50 64.30 ? 179 GLU O CA 1 ? ? +20728 ATOM C C A GLU M 13 176 ? 5.678 -9.546 -56.557 0.50 67.11 ? 179 GLU O C 1 ? ? +20729 ATOM C C B GLU M 13 176 ? 5.686 -9.542 -56.550 0.50 66.10 ? 179 GLU O C 1 ? ? +20730 ATOM O O A GLU M 13 176 ? 6.865 -9.634 -56.848 0.50 67.52 ? 179 GLU O O 1 ? ? +20731 ATOM O O B GLU M 13 176 ? 6.869 -9.628 -56.851 0.50 66.59 ? 179 GLU O O 1 ? ? +20732 ATOM C CB A GLU M 13 176 ? 4.142 -11.279 -57.506 0.50 67.17 ? 179 GLU O CB 1 ? ? +20733 ATOM C CB B GLU M 13 176 ? 4.232 -11.290 -57.508 0.50 64.09 ? 179 GLU O CB 1 ? ? +20734 ATOM C CG A GLU M 13 176 ? 3.331 -12.549 -57.316 0.50 67.60 ? 179 GLU O CG 1 ? ? +20735 ATOM C CG B GLU M 13 176 ? 3.838 -12.745 -57.489 0.50 63.32 ? 179 GLU O CG 1 ? ? +20736 ATOM C CD A GLU M 13 176 ? 2.191 -12.663 -58.305 0.50 69.11 ? 179 GLU O CD 1 ? ? +20737 ATOM C CD B GLU M 13 176 ? 3.876 -13.330 -58.880 0.50 63.12 ? 179 GLU O CD 1 ? ? +20738 ATOM O OE1 A GLU M 13 176 ? 1.943 -11.660 -59.011 0.50 69.94 ? 179 GLU O OE1 1 ? ? +20739 ATOM O OE1 B GLU M 13 176 ? 3.248 -12.737 -59.787 0.50 62.76 ? 179 GLU O OE1 1 ? ? +20740 ATOM O OE2 A GLU M 13 176 ? 1.549 -13.737 -58.384 0.50 70.55 ? 179 GLU O OE2 1 ? ? +20741 ATOM O OE2 B GLU M 13 176 ? 4.562 -14.359 -59.073 0.50 62.97 ? 179 GLU O OE2 1 ? ? +20742 ATOM N N . GLU M 13 177 ? 5.019 -8.385 -56.480 1.00 68.48 ? 180 GLU O N 1 ? ? +20743 ATOM C CA . GLU M 13 177 ? 5.595 -7.109 -56.889 1.00 70.52 ? 180 GLU O CA 1 ? ? +20744 ATOM C CB . GLU M 13 177 ? 4.653 -5.911 -56.571 1.00 74.19 ? 180 GLU O CB 1 ? ? +20745 ATOM C CG . GLU M 13 177 ? 3.202 -6.062 -57.007 1.00 79.23 ? 180 GLU O CG 1 ? ? +20746 ATOM C CD . GLU M 13 177 ? 2.271 -6.720 -55.998 1.00 84.27 ? 180 GLU O CD 1 ? ? +20747 ATOM O OE1 . GLU M 13 177 ? 2.324 -6.348 -54.800 1.00 88.38 ? 180 GLU O OE1 1 ? ? +20748 ATOM O OE2 . GLU M 13 177 ? 1.476 -7.598 -56.414 1.00 89.46 ? 180 GLU O OE2 1 ? ? +20749 ATOM C C . GLU M 13 177 ? 6.937 -6.806 -56.228 1.00 69.08 ? 180 GLU O C 1 ? ? +20750 ATOM O O . GLU M 13 177 ? 7.820 -6.223 -56.847 1.00 67.77 ? 180 GLU O O 1 ? ? +20751 ATOM N N . GLU M 13 178 ? 7.076 -7.204 -54.963 1.00 69.86 ? 181 GLU O N 1 ? ? +20752 ATOM C CA . GLU M 13 178 ? 8.275 -6.914 -54.191 1.00 70.86 ? 181 GLU O CA 1 ? ? +20753 ATOM C CB . GLU M 13 178 ? 7.984 -7.125 -52.691 1.00 77.12 ? 181 GLU O CB 1 ? ? +20754 ATOM C CG . GLU M 13 178 ? 6.710 -6.411 -52.233 1.00 83.56 ? 181 GLU O CG 1 ? ? +20755 ATOM C CD . GLU M 13 178 ? 6.196 -6.767 -50.853 1.00 89.02 ? 181 GLU O CD 1 ? ? +20756 ATOM O OE1 . GLU M 13 178 ? 6.933 -7.453 -50.105 1.00 94.01 ? 181 GLU O OE1 1 ? ? +20757 ATOM O OE2 . GLU M 13 178 ? 5.044 -6.381 -50.532 1.00 92.76 ? 181 GLU O OE2 1 ? ? +20758 ATOM C C . GLU M 13 178 ? 9.464 -7.770 -54.628 1.00 65.98 ? 181 GLU O C 1 ? ? +20759 ATOM O O . GLU M 13 178 ? 10.599 -7.431 -54.312 1.00 63.93 ? 181 GLU O O 1 ? ? +20760 ATOM N N . LEU M 13 179 ? 9.182 -8.867 -55.353 1.00 61.89 ? 182 LEU O N 1 ? ? +20761 ATOM C CA . LEU M 13 179 ? 10.170 -9.850 -55.766 1.00 59.05 ? 182 LEU O CA 1 ? ? +20762 ATOM C CB . LEU M 13 179 ? 9.679 -11.230 -55.325 1.00 58.16 ? 182 LEU O CB 1 ? ? +20763 ATOM C CG . LEU M 13 179 ? 9.548 -11.430 -53.823 1.00 57.48 ? 182 LEU O CG 1 ? ? +20764 ATOM C CD1 . LEU M 13 179 ? 8.952 -12.768 -53.508 1.00 56.94 ? 182 LEU O CD1 1 ? ? +20765 ATOM C CD2 . LEU M 13 179 ? 10.898 -11.322 -53.117 1.00 57.40 ? 182 LEU O CD2 1 ? ? +20766 ATOM C C . LEU M 13 179 ? 10.420 -9.873 -57.273 1.00 58.18 ? 182 LEU O C 1 ? ? +20767 ATOM O O . LEU M 13 179 ? 11.138 -10.738 -57.776 1.00 57.04 ? 182 LEU O O 1 ? ? +20768 ATOM N N . ALA M 13 180 ? 9.855 -8.897 -57.991 1.00 58.02 ? 183 ALA O N 1 ? ? +20769 ATOM C CA . ALA M 13 180 ? 9.937 -8.882 -59.442 1.00 58.63 ? 183 ALA O CA 1 ? ? +20770 ATOM C CB . ALA M 13 180 ? 9.145 -7.719 -60.009 1.00 58.37 ? 183 ALA O CB 1 ? ? +20771 ATOM C C . ALA M 13 180 ? 11.378 -8.841 -59.947 1.00 58.81 ? 183 ALA O C 1 ? ? +20772 ATOM O O . ALA M 13 180 ? 11.699 -9.463 -60.953 1.00 58.77 ? 183 ALA O O 1 ? ? +20773 ATOM N N . ARG M 13 181 ? 12.247 -8.112 -59.249 1.00 59.53 ? 184 ARG O N 1 ? ? +20774 ATOM C CA . ARG M 13 181 ? 13.610 -7.948 -59.718 1.00 60.88 ? 184 ARG O CA 1 ? ? +20775 ATOM C CB . ARG M 13 181 ? 14.347 -6.855 -58.924 1.00 64.13 ? 184 ARG O CB 1 ? ? +20776 ATOM C CG . ARG M 13 181 ? 15.627 -6.443 -59.616 1.00 68.51 ? 184 ARG O CG 1 ? ? +20777 ATOM C CD . ARG M 13 181 ? 16.296 -5.236 -59.034 1.00 73.03 ? 184 ARG O CD 1 ? ? +20778 ATOM N NE . ARG M 13 181 ? 17.553 -4.994 -59.737 1.00 77.17 ? 184 ARG O NE 1 ? ? +20779 ATOM C CZ . ARG M 13 181 ? 18.298 -3.905 -59.615 1.00 81.60 ? 184 ARG O CZ 1 ? ? +20780 ATOM N NH1 . ARG M 13 181 ? 18.007 -2.961 -58.733 1.00 84.31 ? 184 ARG O NH1 1 ? ? +20781 ATOM N NH2 . ARG M 13 181 ? 19.367 -3.758 -60.394 1.00 83.41 ? 184 ARG O NH2 1 ? ? +20782 ATOM C C . ARG M 13 181 ? 14.387 -9.259 -59.660 1.00 58.07 ? 184 ARG O C 1 ? ? +20783 ATOM O O . ARG M 13 181 ? 15.316 -9.449 -60.436 1.00 58.77 ? 184 ARG O O 1 ? ? +20784 ATOM N N . ALA M 13 182 ? 14.005 -10.143 -58.731 1.00 55.64 ? 185 ALA O N 1 ? ? +20785 ATOM C CA . ALA M 13 182 ? 14.633 -11.446 -58.581 1.00 53.91 ? 185 ALA O CA 1 ? ? +20786 ATOM C CB . ALA M 13 182 ? 14.659 -11.814 -57.115 1.00 53.09 ? 185 ALA O CB 1 ? ? +20787 ATOM C C . ALA M 13 182 ? 13.950 -12.552 -59.387 1.00 53.35 ? 185 ALA O C 1 ? ? +20788 ATOM O O . ALA M 13 182 ? 14.578 -13.550 -59.725 1.00 52.74 ? 185 ALA O O 1 ? ? +20789 ATOM N N . ASN M 13 183 ? 12.655 -12.383 -59.679 1.00 53.04 ? 186 ASN O N 1 ? ? +20790 ATOM C CA . ASN M 13 183 ? 11.899 -13.386 -60.409 1.00 52.80 ? 186 ASN O CA 1 ? ? +20791 ATOM C CB . ASN M 13 183 ? 10.422 -13.286 -60.101 1.00 52.29 ? 186 ASN O CB 1 ? ? +20792 ATOM C CG . ASN M 13 183 ? 10.081 -13.781 -58.745 1.00 51.51 ? 186 ASN O CG 1 ? ? +20793 ATOM O OD1 . ASN M 13 183 ? 10.756 -14.601 -58.145 1.00 51.03 ? 186 ASN O OD1 1 ? ? +20794 ATOM N ND2 . ASN M 13 183 ? 9.004 -13.308 -58.232 1.00 51.74 ? 186 ASN O ND2 1 ? ? +20795 ATOM C C . ASN M 13 183 ? 12.087 -13.278 -61.915 1.00 53.32 ? 186 ASN O C 1 ? ? +20796 ATOM O O . ASN M 13 183 ? 12.085 -14.292 -62.612 1.00 54.47 ? 186 ASN O O 1 ? ? +20797 ATOM N N . VAL M 13 184 ? 12.221 -12.046 -62.409 1.00 53.13 ? 187 VAL O N 1 ? ? +20798 ATOM C CA . VAL M 13 184 ? 12.307 -11.811 -63.840 1.00 53.19 ? 187 VAL O CA 1 ? ? +20799 ATOM C CB . VAL M 13 184 ? 11.432 -10.622 -64.264 1.00 53.27 ? 187 VAL O CB 1 ? ? +20800 ATOM C CG1 . VAL M 13 184 ? 11.509 -10.432 -65.764 1.00 53.87 ? 187 VAL O CG1 1 ? ? +20801 ATOM C CG2 . VAL M 13 184 ? 9.981 -10.795 -63.793 1.00 52.94 ? 187 VAL O CG2 1 ? ? +20802 ATOM C C . VAL M 13 184 ? 13.770 -11.613 -64.227 1.00 53.12 ? 187 VAL O C 1 ? ? +20803 ATOM O O . VAL M 13 184 ? 14.349 -10.570 -63.977 1.00 53.37 ? 187 VAL O O 1 ? ? +20804 ATOM N N . LYS M 13 185 ? 14.365 -12.641 -64.828 1.00 53.03 ? 188 LYS O N 1 ? ? +20805 ATOM C CA . LYS M 13 185 ? 15.757 -12.592 -65.221 1.00 52.79 ? 188 LYS O CA 1 ? ? +20806 ATOM C CB . LYS M 13 185 ? 16.295 -13.992 -65.458 1.00 51.91 ? 188 LYS O CB 1 ? ? +20807 ATOM C CG . LYS M 13 185 ? 16.050 -14.962 -64.331 1.00 50.84 ? 188 LYS O CG 1 ? ? +20808 ATOM C CD . LYS M 13 185 ? 16.405 -14.439 -62.983 1.00 50.10 ? 188 LYS O CD 1 ? ? +20809 ATOM C CE . LYS M 13 185 ? 16.341 -15.510 -61.926 1.00 49.31 ? 188 LYS O CE 1 ? ? +20810 ATOM N NZ . LYS M 13 185 ? 16.698 -14.993 -60.597 1.00 48.79 ? 188 LYS O NZ 1 ? ? +20811 ATOM C C . LYS M 13 185 ? 15.889 -11.749 -66.482 1.00 54.30 ? 188 LYS O C 1 ? ? +20812 ATOM O O . LYS M 13 185 ? 15.044 -11.812 -67.364 1.00 54.80 ? 188 LYS O O 1 ? ? +20813 ATOM N N . ARG M 13 186 ? 16.962 -10.960 -66.548 1.00 55.88 ? 189 ARG O N 1 ? ? +20814 ATOM C CA . ARG M 13 186 ? 17.239 -10.112 -67.693 1.00 57.65 ? 189 ARG O CA 1 ? ? +20815 ATOM C CB . ARG M 13 186 ? 17.099 -8.638 -67.326 1.00 59.67 ? 189 ARG O CB 1 ? ? +20816 ATOM C CG . ARG M 13 186 ? 15.677 -8.252 -66.994 1.00 61.90 ? 189 ARG O CG 1 ? ? +20817 ATOM C CD . ARG M 13 186 ? 15.604 -6.800 -66.614 1.00 64.32 ? 189 ARG O CD 1 ? ? +20818 ATOM N NE . ARG M 13 186 ? 16.050 -6.559 -65.245 1.00 66.50 ? 189 ARG O NE 1 ? ? +20819 ATOM C CZ . ARG M 13 186 ? 16.408 -5.366 -64.780 1.00 69.87 ? 189 ARG O CZ 1 ? ? +20820 ATOM N NH1 . ARG M 13 186 ? 16.339 -4.280 -65.538 1.00 71.54 ? 189 ARG O NH1 1 ? ? +20821 ATOM N NH2 . ARG M 13 186 ? 16.845 -5.258 -63.528 1.00 70.62 ? 189 ARG O NH2 1 ? ? +20822 ATOM C C . ARG M 13 186 ? 18.653 -10.386 -68.184 1.00 57.39 ? 189 ARG O C 1 ? ? +20823 ATOM O O . ARG M 13 186 ? 19.555 -10.564 -67.376 1.00 56.96 ? 189 ARG O O 1 ? ? +20824 ATOM N N . PHE M 13 187 ? 18.817 -10.406 -69.509 1.00 57.26 ? 190 PHE O N 1 ? ? +20825 ATOM C CA . PHE M 13 187 ? 20.084 -10.686 -70.152 1.00 57.05 ? 190 PHE O CA 1 ? ? +20826 ATOM C CB . PHE M 13 187 ? 19.863 -11.651 -71.329 1.00 57.07 ? 190 PHE O CB 1 ? ? +20827 ATOM C CG . PHE M 13 187 ? 21.097 -12.300 -71.897 1.00 57.03 ? 190 PHE O CG 1 ? ? +20828 ATOM C CD1 . PHE M 13 187 ? 22.024 -11.559 -72.613 1.00 57.48 ? 190 PHE O CD1 1 ? ? +20829 ATOM C CD2 . PHE M 13 187 ? 21.328 -13.651 -71.723 1.00 56.52 ? 190 PHE O CD2 1 ? ? +20830 ATOM C CE1 . PHE M 13 187 ? 23.166 -12.160 -73.131 1.00 57.69 ? 190 PHE O CE1 1 ? ? +20831 ATOM C CE2 . PHE M 13 187 ? 22.472 -14.249 -72.247 1.00 56.83 ? 190 PHE O CE2 1 ? ? +20832 ATOM C CZ . PHE M 13 187 ? 23.383 -13.504 -72.946 1.00 57.29 ? 190 PHE O CZ 1 ? ? +20833 ATOM C C . PHE M 13 187 ? 20.666 -9.356 -70.611 1.00 57.68 ? 190 PHE O C 1 ? ? +20834 ATOM O O . PHE M 13 187 ? 20.141 -8.725 -71.520 1.00 57.55 ? 190 PHE O O 1 ? ? +20835 ATOM N N . SER M 13 188 ? 21.753 -8.919 -69.968 1.00 58.45 ? 191 SER O N 1 ? ? +20836 ATOM C CA . SER M 13 188 ? 22.378 -7.671 -70.362 1.00 59.34 ? 191 SER O CA 1 ? ? +20837 ATOM C CB . SER M 13 188 ? 22.998 -6.959 -69.175 1.00 59.86 ? 191 SER O CB 1 ? ? +20838 ATOM O OG . SER M 13 188 ? 24.031 -7.737 -68.598 1.00 60.46 ? 191 SER O OG 1 ? ? +20839 ATOM C C . SER M 13 188 ? 23.422 -7.925 -71.438 1.00 59.62 ? 191 SER O C 1 ? ? +20840 ATOM O O . SER M 13 188 ? 23.990 -9.008 -71.520 1.00 60.03 ? 191 SER O O 1 ? ? +20841 ATOM N N . LEU M 13 189 ? 23.628 -6.912 -72.278 1.00 60.08 ? 192 LEU O N 1 ? ? +20842 ATOM C CA . LEU M 13 189 ? 24.718 -6.895 -73.233 1.00 60.70 ? 192 LEU O CA 1 ? ? +20843 ATOM C CB . LEU M 13 189 ? 24.203 -7.315 -74.607 1.00 61.38 ? 192 LEU O CB 1 ? ? +20844 ATOM C CG . LEU M 13 189 ? 25.093 -7.015 -75.822 1.00 62.59 ? 192 LEU O CG 1 ? ? +20845 ATOM C CD1 . LEU M 13 189 ? 26.117 -8.111 -76.068 1.00 62.47 ? 192 LEU O CD1 1 ? ? +20846 ATOM C CD2 . LEU M 13 189 ? 24.222 -6.779 -77.056 1.00 63.48 ? 192 LEU O CD2 1 ? ? +20847 ATOM C C . LEU M 13 189 ? 25.265 -5.472 -73.221 1.00 60.93 ? 192 LEU O C 1 ? ? +20848 ATOM O O . LEU M 13 189 ? 24.590 -4.558 -73.675 1.00 61.29 ? 192 LEU O O 1 ? ? +20849 ATOM N N . THR M 13 190 ? 26.476 -5.300 -72.676 1.00 61.05 ? 193 THR O N 1 ? ? +20850 ATOM C CA . THR M 13 190 ? 27.109 -3.994 -72.564 1.00 61.41 ? 193 THR O CA 1 ? ? +20851 ATOM C CB . THR M 13 190 ? 27.363 -3.648 -71.095 1.00 61.15 ? 193 THR O CB 1 ? ? +20852 ATOM O OG1 . THR M 13 190 ? 28.141 -4.679 -70.509 1.00 61.37 ? 193 THR O OG1 1 ? ? +20853 ATOM C CG2 . THR M 13 190 ? 26.080 -3.478 -70.313 1.00 60.32 ? 193 THR O CG2 1 ? ? +20854 ATOM C C . THR M 13 190 ? 28.394 -3.970 -73.381 1.00 61.82 ? 193 THR O C 1 ? ? +20855 ATOM O O . THR M 13 190 ? 28.768 -4.983 -73.960 1.00 61.81 ? 193 THR O O 1 ? ? +20856 ATOM N N . LYS M 13 191 ? 29.033 -2.798 -73.440 1.00 62.63 ? 194 LYS O N 1 ? ? +20857 ATOM C CA . LYS M 13 191 ? 30.253 -2.613 -74.207 1.00 63.69 ? 194 LYS O CA 1 ? ? +20858 ATOM C CB . LYS M 13 191 ? 30.095 -1.453 -75.212 1.00 65.69 ? 194 LYS O CB 1 ? ? +20859 ATOM C CG . LYS M 13 191 ? 28.914 -1.624 -76.190 1.00 67.16 ? 194 LYS O CG 1 ? ? +20860 ATOM C CD . LYS M 13 191 ? 29.275 -1.467 -77.672 1.00 69.46 ? 194 LYS O CD 1 ? ? +20861 ATOM C CE . LYS M 13 191 ? 30.093 -2.654 -78.165 1.00 71.16 ? 194 LYS O CE 1 ? ? +20862 ATOM N NZ . LYS M 13 191 ? 30.283 -2.666 -79.654 1.00 72.94 ? 194 LYS O NZ 1 ? ? +20863 ATOM C C . LYS M 13 191 ? 31.436 -2.342 -73.286 1.00 62.74 ? 194 LYS O C 1 ? ? +20864 ATOM O O . LYS M 13 191 ? 31.274 -1.777 -72.215 1.00 61.92 ? 194 LYS O O 1 ? ? +20865 ATOM N N . GLY M 13 192 ? 32.630 -2.754 -73.719 1.00 62.90 ? 195 GLY O N 1 ? ? +20866 ATOM C CA . GLY M 13 192 ? 33.867 -2.429 -73.023 1.00 63.10 ? 195 GLY O CA 1 ? ? +20867 ATOM C C . GLY M 13 192 ? 34.886 -1.774 -73.951 1.00 63.70 ? 195 GLY O C 1 ? ? +20868 ATOM O O . GLY M 13 192 ? 34.739 -1.856 -75.166 1.00 63.95 ? 195 GLY O O 1 ? ? +20869 ATOM N N . GLN M 13 193 ? 35.897 -1.121 -73.364 1.00 64.44 ? 196 GLN O N 1 ? ? +20870 ATOM C CA . GLN M 13 193 ? 36.948 -0.436 -74.112 1.00 65.56 ? 196 GLN O CA 1 ? ? +20871 ATOM C CB . GLN M 13 193 ? 37.019 1.080 -73.787 1.00 67.27 ? 196 GLN O CB 1 ? ? +20872 ATOM C CG . GLN M 13 193 ? 35.770 1.897 -74.172 1.00 68.98 ? 196 GLN O CG 1 ? ? +20873 ATOM C CD . GLN M 13 193 ? 34.538 1.626 -73.264 1.00 70.52 ? 196 GLN O CD 1 ? ? +20874 ATOM O OE1 . GLN M 13 193 ? 34.615 1.161 -72.097 1.00 71.35 ? 196 GLN O OE1 1 ? ? +20875 ATOM N NE2 . GLN M 13 193 ? 33.337 1.961 -73.745 1.00 71.46 ? 196 GLN O NE2 1 ? ? +20876 ATOM C C . GLN M 13 193 ? 38.286 -1.079 -73.769 1.00 64.75 ? 196 GLN O C 1 ? ? +20877 ATOM O O . GLN M 13 193 ? 38.515 -1.425 -72.616 1.00 63.88 ? 196 GLN O O 1 ? ? +20878 ATOM N N . ILE M 13 194 ? 39.155 -1.243 -74.771 1.00 65.15 ? 197 ILE O N 1 ? ? +20879 ATOM C CA . ILE M 13 194 ? 40.504 -1.739 -74.551 1.00 65.23 ? 197 ILE O CA 1 ? ? +20880 ATOM C CB . ILE M 13 194 ? 40.604 -3.251 -74.913 1.00 64.88 ? 197 ILE O CB 1 ? ? +20881 ATOM C CG1 . ILE M 13 194 ? 41.914 -3.866 -74.393 1.00 65.06 ? 197 ILE O CG1 1 ? ? +20882 ATOM C CG2 . ILE M 13 194 ? 40.459 -3.491 -76.393 1.00 65.40 ? 197 ILE O CG2 1 ? ? +20883 ATOM C CD1 . ILE M 13 194 ? 42.009 -5.346 -74.528 1.00 64.78 ? 197 ILE O CD1 1 ? ? +20884 ATOM C C . ILE M 13 194 ? 41.548 -0.912 -75.299 1.00 66.04 ? 197 ILE O C 1 ? ? +20885 ATOM O O . ILE M 13 194 ? 41.305 -0.472 -76.418 1.00 66.01 ? 197 ILE O O 1 ? ? +20886 ATOM N N . SER M 13 195 ? 42.691 -0.689 -74.633 1.00 66.83 ? 198 SER O N 1 ? ? +20887 ATOM C CA . SER M 13 195 ? 43.908 -0.175 -75.248 1.00 68.24 ? 198 SER O CA 1 ? ? +20888 ATOM C CB . SER M 13 195 ? 44.506 0.980 -74.451 1.00 69.02 ? 198 SER O CB 1 ? ? +20889 ATOM O OG . SER M 13 195 ? 43.663 2.115 -74.409 1.00 69.85 ? 198 SER O OG 1 ? ? +20890 ATOM C C . SER M 13 195 ? 44.970 -1.264 -75.301 1.00 68.58 ? 198 SER O C 1 ? ? +20891 ATOM O O . SER M 13 195 ? 45.242 -1.898 -74.291 1.00 67.89 ? 198 SER O O 1 ? ? +20892 ATOM N N . LEU M 13 196 ? 45.579 -1.458 -76.472 1.00 69.96 ? 199 LEU O N 1 ? ? +20893 ATOM C CA . LEU M 13 196 ? 46.762 -2.296 -76.585 1.00 70.75 ? 199 LEU O CA 1 ? ? +20894 ATOM C CB . LEU M 13 196 ? 46.581 -3.419 -77.617 1.00 71.18 ? 199 LEU O CB 1 ? ? +20895 ATOM C CG . LEU M 13 196 ? 45.395 -4.346 -77.359 1.00 70.51 ? 199 LEU O CG 1 ? ? +20896 ATOM C CD1 . LEU M 13 196 ? 44.307 -4.071 -78.332 1.00 71.03 ? 199 LEU O CD1 1 ? ? +20897 ATOM C CD2 . LEU M 13 196 ? 45.782 -5.800 -77.414 1.00 70.43 ? 199 LEU O CD2 1 ? ? +20898 ATOM C C . LEU M 13 196 ? 47.956 -1.424 -76.945 1.00 71.46 ? 199 LEU O C 1 ? ? +20899 ATOM O O . LEU M 13 196 ? 47.998 -0.828 -78.015 1.00 72.02 ? 199 LEU O O 1 ? ? +20900 ATOM N N . ASN M 13 197 ? 48.903 -1.340 -76.010 1.00 72.05 ? 200 ASN O N 1 ? ? +20901 ATOM C CA . ASN M 13 197 ? 50.132 -0.590 -76.196 1.00 73.45 ? 200 ASN O CA 1 ? ? +20902 ATOM C CB . ASN M 13 197 ? 50.433 0.167 -74.897 1.00 74.03 ? 200 ASN O CB 1 ? ? +20903 ATOM C CG . ASN M 13 197 ? 51.712 0.973 -74.931 1.00 76.37 ? 200 ASN O CG 1 ? ? +20904 ATOM O OD1 . ASN M 13 197 ? 52.825 0.424 -75.020 1.00 77.72 ? 200 ASN O OD1 1 ? ? +20905 ATOM N ND2 . ASN M 13 197 ? 51.595 2.291 -74.922 1.00 77.37 ? 200 ASN O ND2 1 ? ? +20906 ATOM C C . ASN M 13 197 ? 51.282 -1.509 -76.616 1.00 73.56 ? 200 ASN O C 1 ? ? +20907 ATOM O O . ASN M 13 197 ? 51.839 -2.224 -75.794 1.00 72.97 ? 200 ASN O O 1 ? ? +20908 ATOM N N . VAL M 13 198 ? 51.630 -1.491 -77.904 1.00 74.59 ? 201 VAL O N 1 ? ? +20909 ATOM C CA . VAL M 13 198 ? 52.777 -2.243 -78.388 1.00 76.38 ? 201 VAL O CA 1 ? ? +20910 ATOM C CB . VAL M 13 198 ? 52.868 -2.252 -79.931 1.00 77.04 ? 201 VAL O CB 1 ? ? +20911 ATOM C CG1 . VAL M 13 198 ? 54.038 -3.115 -80.404 1.00 77.54 ? 201 VAL O CG1 1 ? ? +20912 ATOM C CG2 . VAL M 13 198 ? 51.552 -2.714 -80.569 1.00 76.28 ? 201 VAL O CG2 1 ? ? +20913 ATOM C C . VAL M 13 198 ? 54.070 -1.696 -77.778 1.00 77.91 ? 201 VAL O C 1 ? ? +20914 ATOM O O . VAL M 13 198 ? 54.310 -0.481 -77.772 1.00 80.32 ? 201 VAL O O 1 ? ? +20915 ATOM N N . ALA M 13 199 ? 54.877 -2.625 -77.252 1.00 78.21 ? 202 ALA O N 1 ? ? +20916 ATOM C CA . ALA M 13 199 ? 56.121 -2.318 -76.569 1.00 79.07 ? 202 ALA O CA 1 ? ? +20917 ATOM C CB . ALA M 13 199 ? 55.984 -2.680 -75.104 1.00 78.23 ? 202 ALA O CB 1 ? ? +20918 ATOM C C . ALA M 13 199 ? 57.325 -3.040 -77.177 1.00 80.90 ? 202 ALA O C 1 ? ? +20919 ATOM O O . ALA M 13 199 ? 58.459 -2.588 -77.020 1.00 81.91 ? 202 ALA O O 1 ? ? +20920 ATOM N N . LYS M 13 200 ? 57.067 -4.169 -77.856 1.00 81.52 ? 203 LYS O N 1 ? ? +20921 ATOM C CA . LYS M 13 200 ? 58.099 -4.947 -78.522 1.00 82.03 ? 203 LYS O CA 1 ? ? +20922 ATOM C CB . LYS M 13 200 ? 58.483 -6.152 -77.679 1.00 82.96 ? 203 LYS O CB 1 ? ? +20923 ATOM C CG . LYS M 13 200 ? 59.040 -5.805 -76.319 1.00 84.70 ? 203 LYS O CG 1 ? ? +20924 ATOM C CD . LYS M 13 200 ? 59.493 -7.052 -75.572 1.00 86.44 ? 203 LYS O CD 1 ? ? +20925 ATOM C CE . LYS M 13 200 ? 60.166 -6.747 -74.259 1.00 88.30 ? 203 LYS O CE 1 ? ? +20926 ATOM N NZ . LYS M 13 200 ? 60.483 -7.995 -73.513 1.00 89.28 ? 203 LYS O NZ 1 ? ? +20927 ATOM C C . LYS M 13 200 ? 57.608 -5.448 -79.875 1.00 80.96 ? 203 LYS O C 1 ? ? +20928 ATOM O O . LYS M 13 200 ? 56.483 -5.922 -79.984 1.00 80.06 ? 203 LYS O O 1 ? ? +20929 ATOM N N . VAL M 13 201 ? 58.468 -5.345 -80.892 1.00 80.88 ? 204 VAL O N 1 ? ? +20930 ATOM C CA . VAL M 13 201 ? 58.165 -5.830 -82.225 1.00 80.80 ? 204 VAL O CA 1 ? ? +20931 ATOM C CB . VAL M 13 201 ? 57.818 -4.678 -83.195 1.00 81.26 ? 204 VAL O CB 1 ? ? +20932 ATOM C CG1 . VAL M 13 201 ? 57.329 -5.213 -84.531 1.00 81.45 ? 204 VAL O CG1 1 ? ? +20933 ATOM C CG2 . VAL M 13 201 ? 56.803 -3.712 -82.596 1.00 80.50 ? 204 VAL O CG2 1 ? ? +20934 ATOM C C . VAL M 13 201 ? 59.364 -6.619 -82.743 1.00 81.71 ? 204 VAL O C 1 ? ? +20935 ATOM O O . VAL M 13 201 ? 60.496 -6.147 -82.680 1.00 82.58 ? 204 VAL O O 1 ? ? +20936 ATOM N N . ASP M 13 202 ? 59.095 -7.832 -83.230 1.00 81.68 ? 205 ASP O N 1 ? ? +20937 ATOM C CA . ASP M 13 202 ? 60.036 -8.584 -84.034 1.00 82.58 ? 205 ASP O CA 1 ? ? +20938 ATOM C CB . ASP M 13 202 ? 60.078 -10.052 -83.622 1.00 82.14 ? 205 ASP O CB 1 ? ? +20939 ATOM C CG . ASP M 13 202 ? 61.141 -10.877 -84.338 1.00 83.21 ? 205 ASP O CG 1 ? ? +20940 ATOM O OD1 . ASP M 13 202 ? 61.337 -10.680 -85.558 1.00 83.83 ? 205 ASP O OD1 1 ? ? +20941 ATOM O OD2 . ASP M 13 202 ? 61.752 -11.730 -83.693 1.00 83.64 ? 205 ASP O OD2 1 ? ? +20942 ATOM C C . ASP M 13 202 ? 59.579 -8.429 -85.481 1.00 83.94 ? 205 ASP O C 1 ? ? +20943 ATOM O O . ASP M 13 202 ? 58.563 -9.001 -85.879 1.00 82.93 ? 205 ASP O O 1 ? ? +20944 ATOM N N . GLY M 13 203 ? 60.349 -7.641 -86.244 1.00 86.63 ? 206 GLY O N 1 ? ? +20945 ATOM C CA . GLY M 13 203 ? 60.028 -7.295 -87.618 1.00 87.93 ? 206 GLY O CA 1 ? ? +20946 ATOM C C . GLY M 13 203 ? 60.126 -8.447 -88.615 1.00 89.01 ? 206 GLY O C 1 ? ? +20947 ATOM O O . GLY M 13 203 ? 59.477 -8.402 -89.655 1.00 89.53 ? 206 GLY O O 1 ? ? +20948 ATOM N N . ARG M 13 204 ? 60.934 -9.468 -88.301 1.00 90.28 ? 207 ARG O N 1 ? ? +20949 ATOM C CA . ARG M 13 204 ? 61.106 -10.578 -89.227 1.00 93.01 ? 207 ARG O CA 1 ? ? +20950 ATOM C CB . ARG M 13 204 ? 62.529 -11.205 -89.190 1.00 98.86 ? 207 ARG O CB 1 ? ? +20951 ATOM C CG . ARG M 13 204 ? 63.020 -11.695 -87.836 1.00 103.56 ? 207 ARG O CG 1 ? ? +20952 ATOM C CD . ARG M 13 204 ? 64.309 -12.536 -87.931 1.00 109.36 ? 207 ARG O CD 1 ? ? +20953 ATOM N NE . ARG M 13 204 ? 64.723 -13.018 -86.611 1.00 114.98 ? 207 ARG O NE 1 ? ? +20954 ATOM C CZ . ARG M 13 204 ? 65.048 -12.234 -85.585 1.00 118.30 ? 207 ARG O CZ 1 ? ? +20955 ATOM N NH1 . ARG M 13 204 ? 65.586 -11.037 -85.774 1.00 120.09 ? 207 ARG O NH1 1 ? ? +20956 ATOM N NH2 . ARG M 13 204 ? 64.835 -12.665 -84.342 1.00 117.62 ? 207 ARG O NH2 1 ? ? +20957 ATOM C C . ARG M 13 204 ? 60.031 -11.642 -89.030 1.00 89.73 ? 207 ARG O C 1 ? ? +20958 ATOM O O . ARG M 13 204 ? 59.553 -12.198 -90.015 1.00 89.33 ? 207 ARG O O 1 ? ? +20959 ATOM N N . THR M 13 205 ? 59.634 -11.899 -87.775 1.00 87.37 ? 208 THR O N 1 ? ? +20960 ATOM C CA . THR M 13 205 ? 58.609 -12.898 -87.496 1.00 84.76 ? 208 THR O CA 1 ? ? +20961 ATOM C CB . THR M 13 205 ? 58.782 -13.539 -86.107 1.00 83.73 ? 208 THR O CB 1 ? ? +20962 ATOM O OG1 . THR M 13 205 ? 58.435 -12.595 -85.098 1.00 82.98 ? 208 THR O OG1 1 ? ? +20963 ATOM C CG2 . THR M 13 205 ? 60.199 -14.061 -85.871 1.00 84.50 ? 208 THR O CG2 1 ? ? +20964 ATOM C C . THR M 13 205 ? 57.187 -12.355 -87.605 1.00 83.00 ? 208 THR O C 1 ? ? +20965 ATOM O O . THR M 13 205 ? 56.267 -13.116 -87.880 1.00 83.40 ? 208 THR O O 1 ? ? +20966 ATOM N N . GLY M 13 206 ? 57.012 -11.047 -87.383 1.00 81.80 ? 209 GLY O N 1 ? ? +20967 ATOM C CA . GLY M 13 206 ? 55.689 -10.445 -87.346 1.00 80.06 ? 209 GLY O CA 1 ? ? +20968 ATOM C C . GLY M 13 206 ? 54.995 -10.653 -86.002 1.00 77.99 ? 209 GLY O C 1 ? ? +20969 ATOM O O . GLY M 13 206 ? 53.768 -10.674 -85.933 1.00 77.22 ? 209 GLY O O 1 ? ? +20970 ATOM N N . GLU M 13 207 ? 55.801 -10.795 -84.941 1.00 76.69 ? 210 GLU O N 1 ? ? +20971 ATOM C CA . GLU M 13 207 ? 55.305 -10.942 -83.585 1.00 74.63 ? 210 GLU O CA 1 ? ? +20972 ATOM C CB . GLU M 13 207 ? 56.107 -11.987 -82.809 1.00 74.42 ? 210 GLU O CB 1 ? ? +20973 ATOM C CG . GLU M 13 207 ? 55.942 -13.420 -83.295 1.00 74.12 ? 210 GLU O CG 1 ? ? +20974 ATOM C CD . GLU M 13 207 ? 56.994 -14.387 -82.765 1.00 74.16 ? 210 GLU O CD 1 ? ? +20975 ATOM O OE1 . GLU M 13 207 ? 58.137 -14.372 -83.281 1.00 75.23 ? 210 GLU O OE1 1 ? ? +20976 ATOM O OE2 . GLU M 13 207 ? 56.689 -15.138 -81.813 1.00 73.05 ? 210 GLU O OE2 1 ? ? +20977 ATOM C C . GLU M 13 207 ? 55.412 -9.599 -82.875 1.00 73.95 ? 210 GLU O C 1 ? ? +20978 ATOM O O . GLU M 13 207 ? 56.447 -8.932 -82.954 1.00 74.25 ? 210 GLU O O 1 ? ? +20979 ATOM N N . ILE M 13 208 ? 54.321 -9.224 -82.196 1.00 72.58 ? 211 ILE O N 1 ? ? +20980 ATOM C CA . ILE M 13 208 ? 54.303 -8.061 -81.329 1.00 72.00 ? 211 ILE O CA 1 ? ? +20981 ATOM C CB . ILE M 13 208 ? 53.391 -6.959 -81.893 1.00 72.04 ? 211 ILE O CB 1 ? ? +20982 ATOM C CG1 . ILE M 13 208 ? 51.921 -7.381 -81.982 1.00 71.19 ? 211 ILE O CG1 1 ? ? +20983 ATOM C CG2 . ILE M 13 208 ? 53.923 -6.503 -83.239 1.00 73.21 ? 211 ILE O CG2 1 ? ? +20984 ATOM C CD1 . ILE M 13 208 ? 51.017 -6.233 -82.339 1.00 71.20 ? 211 ILE O CD1 1 ? ? +20985 ATOM C C . ILE M 13 208 ? 53.882 -8.489 -79.929 1.00 70.55 ? 211 ILE O C 1 ? ? +20986 ATOM O O . ILE M 13 208 ? 53.194 -9.491 -79.770 1.00 69.96 ? 211 ILE O O 1 ? ? +20987 ATOM N N . ALA M 13 209 ? 54.326 -7.725 -78.927 1.00 70.04 ? 212 ALA O N 1 ? ? +20988 ATOM C CA . ALA M 13 209 ? 53.866 -7.885 -77.560 1.00 68.79 ? 212 ALA O CA 1 ? ? +20989 ATOM C CB . ALA M 13 209 ? 54.767 -8.823 -76.785 1.00 68.78 ? 212 ALA O CB 1 ? ? +20990 ATOM C C . ALA M 13 209 ? 53.821 -6.516 -76.896 1.00 68.47 ? 212 ALA O C 1 ? ? +20991 ATOM O O . ALA M 13 209 ? 54.397 -5.554 -77.398 1.00 69.11 ? 212 ALA O O 1 ? ? +20992 ATOM N N . GLY M 13 210 ? 53.140 -6.454 -75.756 1.00 67.40 ? 213 GLY O N 1 ? ? +20993 ATOM C CA . GLY M 13 210 ? 52.874 -5.186 -75.104 1.00 67.18 ? 213 GLY O CA 1 ? ? +20994 ATOM C C . GLY M 13 210 ? 52.020 -5.349 -73.853 1.00 65.99 ? 213 GLY O C 1 ? ? +20995 ATOM O O . GLY M 13 210 ? 51.860 -6.456 -73.346 1.00 65.38 ? 213 GLY O O 1 ? ? +20996 ATOM N N . THR M 13 211 ? 51.509 -4.223 -73.350 1.00 65.67 ? 214 THR O N 1 ? ? +20997 ATOM C CA . THR M 13 211 ? 50.584 -4.230 -72.233 1.00 64.86 ? 214 THR O CA 1 ? ? +20998 ATOM C CB . THR M 13 211 ? 51.020 -3.294 -71.112 1.00 64.77 ? 214 THR O CB 1 ? ? +20999 ATOM O OG1 . THR M 13 211 ? 51.026 -1.963 -71.619 1.00 65.16 ? 214 THR O OG1 1 ? ? +21000 ATOM C CG2 . THR M 13 211 ? 52.361 -3.663 -70.546 1.00 65.15 ? 214 THR O CG2 1 ? ? +21001 ATOM C C . THR M 13 211 ? 49.205 -3.840 -72.750 1.00 64.67 ? 214 THR O C 1 ? ? +21002 ATOM O O . THR M 13 211 ? 49.076 -3.346 -73.867 1.00 65.14 ? 214 THR O O 1 ? ? +21003 ATOM N N . PHE M 13 212 ? 48.185 -4.063 -71.923 1.00 63.97 ? 215 PHE O N 1 ? ? +21004 ATOM C CA . PHE M 13 212 ? 46.845 -3.638 -72.279 1.00 64.17 ? 215 PHE O CA 1 ? ? +21005 ATOM C CB . PHE M 13 212 ? 46.045 -4.770 -72.967 1.00 63.38 ? 215 PHE O CB 1 ? ? +21006 ATOM C CG . PHE M 13 212 ? 45.458 -5.813 -72.056 1.00 62.10 ? 215 PHE O CG 1 ? ? +21007 ATOM C CD1 . PHE M 13 212 ? 44.204 -5.637 -71.493 1.00 61.45 ? 215 PHE O CD1 1 ? ? +21008 ATOM C CD2 . PHE M 13 212 ? 46.161 -6.958 -71.749 1.00 61.80 ? 215 PHE O CD2 1 ? ? +21009 ATOM C CE1 . PHE M 13 212 ? 43.658 -6.598 -70.656 1.00 60.47 ? 215 PHE O CE1 1 ? ? +21010 ATOM C CE2 . PHE M 13 212 ? 45.629 -7.906 -70.908 1.00 61.04 ? 215 PHE O CE2 1 ? ? +21011 ATOM C CZ . PHE M 13 212 ? 44.371 -7.728 -70.369 1.00 60.43 ? 215 PHE O CZ 1 ? ? +21012 ATOM C C . PHE M 13 212 ? 46.107 -3.127 -71.052 1.00 64.35 ? 215 PHE O C 1 ? ? +21013 ATOM O O . PHE M 13 212 ? 46.462 -3.434 -69.920 1.00 64.42 ? 215 PHE O O 1 ? ? +21014 ATOM N N . GLU M 13 213 ? 45.085 -2.318 -71.309 1.00 65.27 ? 216 GLU O N 1 ? ? +21015 ATOM C CA . GLU M 13 213 ? 44.158 -1.908 -70.277 1.00 65.60 ? 216 GLU O CA 1 ? ? +21016 ATOM C CB . GLU M 13 213 ? 44.490 -0.494 -69.817 1.00 67.55 ? 216 GLU O CB 1 ? ? +21017 ATOM C CG . GLU M 13 213 ? 43.702 -0.052 -68.596 1.00 68.82 ? 216 GLU O CG 1 ? ? +21018 ATOM C CD . GLU M 13 213 ? 44.226 1.250 -67.994 1.00 71.13 ? 216 GLU O CD 1 ? ? +21019 ATOM O OE1 . GLU M 13 213 ? 44.333 2.240 -68.754 1.00 73.02 ? 216 GLU O OE1 1 ? ? +21020 ATOM O OE2 . GLU M 13 213 ? 44.553 1.285 -66.784 1.00 72.55 ? 216 GLU O OE2 1 ? ? +21021 ATOM C C . GLU M 13 213 ? 42.755 -2.001 -70.862 1.00 64.63 ? 216 GLU O C 1 ? ? +21022 ATOM O O . GLU M 13 213 ? 42.505 -1.518 -71.960 1.00 64.47 ? 216 GLU O O 1 ? ? +21023 ATOM N N . SER M 13 214 ? 41.845 -2.648 -70.138 1.00 63.97 ? 217 SER O N 1 ? ? +21024 ATOM C CA . SER M 13 214 ? 40.473 -2.757 -70.598 1.00 63.70 ? 217 SER O CA 1 ? ? +21025 ATOM C CB . SER M 13 214 ? 40.192 -4.143 -71.169 1.00 63.70 ? 217 SER O CB 1 ? ? +21026 ATOM O OG . SER M 13 214 ? 40.253 -5.130 -70.159 1.00 63.64 ? 217 SER O OG 1 ? ? +21027 ATOM C C . SER M 13 214 ? 39.518 -2.410 -69.466 1.00 62.84 ? 217 SER O C 1 ? ? +21028 ATOM O O . SER M 13 214 ? 39.819 -2.640 -68.301 1.00 62.47 ? 217 SER O O 1 ? ? +21029 ATOM N N . GLU M 13 215 ? 38.392 -1.794 -69.830 1.00 63.00 ? 218 GLU O N 1 ? ? +21030 ATOM C CA . GLU M 13 215 ? 37.352 -1.456 -68.874 1.00 62.65 ? 218 GLU O CA 1 ? ? +21031 ATOM C CB . GLU M 13 215 ? 37.154 0.056 -68.784 1.00 64.74 ? 218 GLU O CB 1 ? ? +21032 ATOM C CG . GLU M 13 215 ? 38.195 0.746 -67.928 1.00 66.84 ? 218 GLU O CG 1 ? ? +21033 ATOM C CD . GLU M 13 215 ? 37.997 2.237 -67.784 1.00 69.03 ? 218 GLU O CD 1 ? ? +21034 ATOM O OE1 . GLU M 13 215 ? 38.509 3.004 -68.636 1.00 70.71 ? 218 GLU O OE1 1 ? ? +21035 ATOM O OE2 . GLU M 13 215 ? 37.291 2.634 -66.829 1.00 70.56 ? 218 GLU O OE2 1 ? ? +21036 ATOM C C . GLU M 13 215 ? 36.047 -2.128 -69.277 1.00 60.66 ? 218 GLU O C 1 ? ? +21037 ATOM O O . GLU M 13 215 ? 35.662 -2.114 -70.444 1.00 60.58 ? 218 GLU O O 1 ? ? +21038 ATOM N N . GLN M 13 216 ? 35.381 -2.732 -68.297 1.00 58.89 ? 219 GLN O N 1 ? ? +21039 ATOM C CA . GLN M 13 216 ? 34.110 -3.383 -68.542 1.00 57.57 ? 219 GLN O CA 1 ? ? +21040 ATOM C CB . GLN M 13 216 ? 34.337 -4.754 -69.167 1.00 57.01 ? 219 GLN O CB 1 ? ? +21041 ATOM C CG . GLN M 13 216 ? 35.145 -5.686 -68.308 1.00 56.40 ? 219 GLN O CG 1 ? ? +21042 ATOM C CD . GLN M 13 216 ? 34.957 -7.119 -68.709 1.00 55.92 ? 219 GLN O CD 1 ? ? +21043 ATOM O OE1 . GLN M 13 216 ? 33.875 -7.712 -68.492 1.00 55.53 ? 219 GLN O OE1 1 ? ? +21044 ATOM N NE2 . GLN M 13 216 ? 35.955 -7.720 -69.279 1.00 55.89 ? 219 GLN O NE2 1 ? ? +21045 ATOM C C . GLN M 13 216 ? 33.307 -3.514 -67.254 1.00 56.77 ? 219 GLN O C 1 ? ? +21046 ATOM O O . GLN M 13 216 ? 33.831 -3.303 -66.160 1.00 56.46 ? 219 GLN O O 1 ? ? +21047 ATOM N N . LEU M 13 217 ? 32.029 -3.877 -67.405 1.00 56.32 ? 220 LEU O N 1 ? ? +21048 ATOM C CA . LEU M 13 217 ? 31.181 -4.142 -66.261 1.00 55.51 ? 220 LEU O CA 1 ? ? +21049 ATOM C CB . LEU M 13 217 ? 29.732 -3.813 -66.604 1.00 55.67 ? 220 LEU O CB 1 ? ? +21050 ATOM C CG . LEU M 13 217 ? 29.428 -2.357 -66.968 1.00 56.14 ? 220 LEU O CG 1 ? ? +21051 ATOM C CD1 . LEU M 13 217 ? 27.979 -2.223 -67.375 1.00 56.01 ? 220 LEU O CD1 1 ? ? +21052 ATOM C CD2 . LEU M 13 217 ? 29.738 -1.407 -65.817 1.00 56.04 ? 220 LEU O CD2 1 ? ? +21053 ATOM C C . LEU M 13 217 ? 31.301 -5.601 -65.834 1.00 54.90 ? 220 LEU O C 1 ? ? +21054 ATOM O O . LEU M 13 217 ? 31.579 -6.477 -66.649 1.00 54.90 ? 220 LEU O O 1 ? ? +21055 ATOM N N . SER M 13 218 ? 31.086 -5.834 -64.535 1.00 54.50 ? 221 SER O N 1 ? ? +21056 ATOM C CA . SER M 13 218 ? 31.059 -7.165 -63.954 1.00 54.08 ? 221 SER O CA 1 ? ? +21057 ATOM C CB . SER M 13 218 ? 31.539 -7.086 -62.508 1.00 53.76 ? 221 SER O CB 1 ? ? +21058 ATOM O OG . SER M 13 218 ? 30.578 -6.446 -61.688 1.00 53.39 ? 221 SER O OG 1 ? ? +21059 ATOM C C . SER M 13 218 ? 29.664 -7.792 -64.035 1.00 53.63 ? 221 SER O C 1 ? ? +21060 ATOM O O . SER M 13 218 ? 28.737 -7.207 -64.578 1.00 53.46 ? 221 SER O O 1 ? ? +21061 ATOM N N . ASP M 13 219 ? 29.532 -9.007 -63.506 1.00 53.40 ? 222 ASP O N 1 ? ? +21062 ATOM C CA . ASP M 13 219 ? 28.263 -9.712 -63.498 1.00 53.24 ? 222 ASP O CA 1 ? ? +21063 ATOM C CB . ASP M 13 219 ? 28.467 -11.071 -62.831 1.00 52.88 ? 222 ASP O CB 1 ? ? +21064 ATOM C CG . ASP M 13 219 ? 27.209 -11.822 -62.511 1.00 52.46 ? 222 ASP O CG 1 ? ? +21065 ATOM O OD1 . ASP M 13 219 ? 26.329 -11.871 -63.367 1.00 52.67 ? 222 ASP O OD1 1 ? ? +21066 ATOM O OD2 . ASP M 13 219 ? 27.116 -12.372 -61.394 1.00 52.32 ? 222 ASP O OD2 1 ? ? +21067 ATOM C C . ASP M 13 219 ? 27.183 -8.922 -62.769 1.00 53.22 ? 222 ASP O C 1 ? ? +21068 ATOM O O . ASP M 13 219 ? 27.453 -8.296 -61.758 1.00 53.27 ? 222 ASP O O 1 ? ? +21069 ATOM N N . ASP M 13 220 ? 25.960 -8.943 -63.297 1.00 53.65 ? 223 ASP O N 1 ? ? +21070 ATOM C CA . ASP M 13 220 ? 24.825 -8.328 -62.625 1.00 53.54 ? 223 ASP O CA 1 ? ? +21071 ATOM C CB . ASP M 13 220 ? 24.165 -7.304 -63.546 1.00 54.09 ? 223 ASP O CB 1 ? ? +21072 ATOM C CG . ASP M 13 220 ? 23.453 -7.857 -64.761 1.00 54.52 ? 223 ASP O CG 1 ? ? +21073 ATOM O OD1 . ASP M 13 220 ? 23.339 -9.083 -64.877 1.00 54.19 ? 223 ASP O OD1 1 ? ? +21074 ATOM O OD2 . ASP M 13 220 ? 23.022 -7.063 -65.596 1.00 55.52 ? 223 ASP O OD2 1 ? ? +21075 ATOM C C . ASP M 13 220 ? 23.801 -9.362 -62.155 1.00 53.57 ? 223 ASP O C 1 ? ? +21076 ATOM O O . ASP M 13 220 ? 22.730 -8.994 -61.677 1.00 53.38 ? 223 ASP O O 1 ? ? +21077 ATOM N N . ASP M 13 221 ? 24.151 -10.653 -62.284 1.00 53.64 ? 224 ASP O N 1 ? ? +21078 ATOM C CA . ASP M 13 221 ? 23.318 -11.759 -61.848 1.00 53.39 ? 224 ASP O CA 1 ? ? +21079 ATOM C CB . ASP M 13 221 ? 23.236 -11.795 -60.326 1.00 52.87 ? 224 ASP O CB 1 ? ? +21080 ATOM C CG . ASP M 13 221 ? 22.678 -13.063 -59.760 1.00 52.52 ? 224 ASP O CG 1 ? ? +21081 ATOM O OD1 . ASP M 13 221 ? 22.624 -14.062 -60.490 1.00 52.46 ? 224 ASP O OD1 1 ? ? +21082 ATOM O OD2 . ASP M 13 221 ? 22.283 -13.053 -58.594 1.00 52.72 ? 224 ASP O OD2 1 ? ? +21083 ATOM C C . ASP M 13 221 ? 21.928 -11.644 -62.472 1.00 53.99 ? 224 ASP O C 1 ? ? +21084 ATOM O O . ASP M 13 221 ? 20.913 -11.679 -61.779 1.00 53.82 ? 224 ASP O O 1 ? ? +21085 ATOM N N . MET M 13 222 ? 21.921 -11.451 -63.794 1.00 54.60 ? 225 MET O N 1 ? ? +21086 ATOM C CA . MET M 13 222 ? 20.719 -11.466 -64.605 1.00 54.93 ? 225 MET O CA 1 ? ? +21087 ATOM C CB . MET M 13 222 ? 20.151 -12.870 -64.626 1.00 55.10 ? 225 MET O CB 1 ? ? +21088 ATOM C CG . MET M 13 222 ? 21.144 -13.830 -65.129 1.00 55.67 ? 225 MET O CG 1 ? ? +21089 ATOM S SD . MET M 13 222 ? 20.416 -15.239 -65.909 1.00 56.97 ? 225 MET O SD 1 ? ? +21090 ATOM C CE . MET M 13 222 ? 20.597 -14.725 -67.628 1.00 57.36 ? 225 MET O CE 1 ? ? +21091 ATOM C C . MET M 13 222 ? 19.697 -10.442 -64.123 1.00 54.72 ? 225 MET O C 1 ? ? +21092 ATOM O O . MET M 13 222 ? 18.495 -10.696 -64.165 1.00 54.41 ? 225 MET O O 1 ? ? +21093 ATOM N N . GLY M 13 223 ? 20.216 -9.283 -63.693 1.00 54.58 ? 226 GLY O N 1 ? ? +21094 ATOM C CA . GLY M 13 223 ? 19.414 -8.122 -63.365 1.00 54.53 ? 226 GLY O CA 1 ? ? +21095 ATOM C C . GLY M 13 223 ? 19.121 -7.940 -61.880 1.00 54.11 ? 226 GLY O C 1 ? ? +21096 ATOM O O . GLY M 13 223 ? 18.445 -6.987 -61.500 1.00 54.64 ? 226 GLY O O 1 ? ? +21097 ATOM N N . ALA M 13 224 ? 19.635 -8.842 -61.044 1.00 53.72 ? 227 ALA O N 1 ? ? +21098 ATOM C CA . ALA M 13 224 ? 19.319 -8.833 -59.625 1.00 53.68 ? 227 ALA O CA 1 ? ? +21099 ATOM C CB . ALA M 13 224 ? 19.630 -10.197 -59.041 1.00 53.12 ? 227 ALA O CB 1 ? ? +21100 ATOM C C . ALA M 13 224 ? 20.032 -7.749 -58.814 1.00 54.69 ? 227 ALA O C 1 ? ? +21101 ATOM O O . ALA M 13 224 ? 19.569 -7.367 -57.740 1.00 54.12 ? 227 ALA O O 1 ? ? +21102 ATOM N N . HIS M 13 225 ? 21.187 -7.279 -59.306 1.00 56.33 ? 228 HIS O N 1 ? ? +21103 ATOM C CA . HIS M 13 225 ? 21.909 -6.215 -58.629 1.00 57.09 ? 228 HIS O CA 1 ? ? +21104 ATOM C CB . HIS M 13 225 ? 22.785 -6.791 -57.510 1.00 56.44 ? 228 HIS O CB 1 ? ? +21105 ATOM C CG . HIS M 13 225 ? 23.942 -7.622 -57.966 1.00 56.68 ? 228 HIS O CG 1 ? ? +21106 ATOM N ND1 . HIS M 13 225 ? 25.047 -7.052 -58.595 1.00 57.19 ? 228 HIS O ND1 1 ? ? +21107 ATOM C CE1 . HIS M 13 225 ? 25.886 -8.048 -58.850 1.00 56.78 ? 228 HIS O CE1 1 ? ? +21108 ATOM N NE2 . HIS M 13 225 ? 25.405 -9.205 -58.404 1.00 56.39 ? 228 HIS O NE2 1 ? ? +21109 ATOM C CD2 . HIS M 13 225 ? 24.164 -8.943 -57.831 1.00 56.62 ? 228 HIS O CD2 1 ? ? +21110 ATOM C C . HIS M 13 225 ? 22.705 -5.402 -59.641 1.00 58.74 ? 228 HIS O C 1 ? ? +21111 ATOM O O . HIS M 13 225 ? 22.790 -5.790 -60.796 1.00 60.44 ? 228 HIS O O 1 ? ? +21112 ATOM N N . GLU M 13 226 ? 23.243 -4.257 -59.217 1.00 59.97 ? 229 GLU O N 1 ? ? +21113 ATOM C CA . GLU M 13 226 ? 24.033 -3.421 -60.106 1.00 61.89 ? 229 GLU O CA 1 ? ? +21114 ATOM C CB . GLU M 13 226 ? 24.218 -1.992 -59.543 1.00 64.92 ? 229 GLU O CB 1 ? ? +21115 ATOM C CG . GLU M 13 226 ? 22.927 -1.204 -59.395 1.00 67.52 ? 229 GLU O CG 1 ? ? +21116 ATOM C CD . GLU M 13 226 ? 22.154 -1.033 -60.687 1.00 70.58 ? 229 GLU O CD 1 ? ? +21117 ATOM O OE1 . GLU M 13 226 ? 22.770 -0.646 -61.709 1.00 71.78 ? 229 GLU O OE1 1 ? ? +21118 ATOM O OE2 . GLU M 13 226 ? 20.926 -1.287 -60.675 1.00 74.29 ? 229 GLU O OE2 1 ? ? +21119 ATOM C C . GLU M 13 226 ? 25.405 -4.048 -60.328 1.00 60.37 ? 229 GLU O C 1 ? ? +21120 ATOM O O . GLU M 13 226 ? 25.999 -4.591 -59.400 1.00 59.15 ? 229 GLU O O 1 ? ? +21121 ATOM N N . PRO M 13 227 ? 25.961 -3.982 -61.556 1.00 59.95 ? 230 PRO O N 1 ? ? +21122 ATOM C CA . PRO M 13 227 ? 27.335 -4.424 -61.792 1.00 60.09 ? 230 PRO O CA 1 ? ? +21123 ATOM C CB . PRO M 13 227 ? 27.424 -4.476 -63.314 1.00 60.28 ? 230 PRO O CB 1 ? ? +21124 ATOM C CG . PRO M 13 227 ? 26.435 -3.480 -63.787 1.00 60.34 ? 230 PRO O CG 1 ? ? +21125 ATOM C CD . PRO M 13 227 ? 25.313 -3.481 -62.778 1.00 59.96 ? 230 PRO O CD 1 ? ? +21126 ATOM C C . PRO M 13 227 ? 28.336 -3.442 -61.201 1.00 60.28 ? 230 PRO O C 1 ? ? +21127 ATOM O O . PRO M 13 227 ? 27.977 -2.313 -60.888 1.00 60.39 ? 230 PRO O O 1 ? ? +21128 ATOM N N . HIS M 13 228 ? 29.585 -3.891 -61.055 1.00 60.76 ? 231 HIS O N 1 ? ? +21129 ATOM C CA . HIS M 13 228 ? 30.700 -3.014 -60.743 1.00 60.91 ? 231 HIS O CA 1 ? ? +21130 ATOM C CB . HIS M 13 228 ? 31.641 -3.671 -59.749 1.00 61.34 ? 231 HIS O CB 1 ? ? +21131 ATOM C CG . HIS M 13 228 ? 31.064 -3.822 -58.377 1.00 62.28 ? 231 HIS O CG 1 ? ? +21132 ATOM N ND1 . HIS M 13 228 ? 29.950 -4.618 -58.139 1.00 63.33 ? 231 HIS O ND1 1 ? ? +21133 ATOM C CE1 . HIS M 13 228 ? 29.703 -4.523 -56.840 1.00 63.24 ? 231 HIS O CE1 1 ? ? +21134 ATOM N NE2 . HIS M 13 228 ? 30.593 -3.718 -56.241 1.00 63.54 ? 231 HIS O NE2 1 ? ? +21135 ATOM C CD2 . HIS M 13 228 ? 31.453 -3.257 -57.212 1.00 63.07 ? 231 HIS O CD2 1 ? ? +21136 ATOM C C . HIS M 13 228 ? 31.445 -2.675 -62.026 1.00 61.22 ? 231 HIS O C 1 ? ? +21137 ATOM O O . HIS M 13 228 ? 31.390 -3.421 -62.995 1.00 60.67 ? 231 HIS O O 1 ? ? +21138 ATOM N N . GLU M 13 229 ? 32.122 -1.527 -62.034 1.00 62.06 ? 232 GLU O N 1 ? ? +21139 ATOM C CA . GLU M 13 229 ? 33.064 -1.234 -63.100 1.00 63.18 ? 232 GLU O CA 1 ? ? +21140 ATOM C CB . GLU M 13 229 ? 33.278 0.258 -63.280 1.00 65.27 ? 232 GLU O CB 1 ? ? +21141 ATOM C CG . GLU M 13 229 ? 32.002 1.045 -63.511 1.00 66.85 ? 232 GLU O CG 1 ? ? +21142 ATOM C CD . GLU M 13 229 ? 32.196 2.397 -64.171 1.00 69.59 ? 232 GLU O CD 1 ? ? +21143 ATOM O OE1 . GLU M 13 229 ? 33.299 2.651 -64.719 1.00 72.12 ? 232 GLU O OE1 1 ? ? +21144 ATOM O OE2 . GLU M 13 229 ? 31.231 3.199 -64.153 1.00 70.72 ? 232 GLU O OE2 1 ? ? +21145 ATOM C C . GLU M 13 229 ? 34.382 -1.925 -62.765 1.00 62.21 ? 232 GLU O C 1 ? ? +21146 ATOM O O . GLU M 13 229 ? 34.839 -1.884 -61.623 1.00 61.13 ? 232 GLU O O 1 ? ? +21147 ATOM N N . VAL M 13 230 ? 34.968 -2.588 -63.766 1.00 62.19 ? 233 VAL O N 1 ? ? +21148 ATOM C CA . VAL M 13 230 ? 36.236 -3.269 -63.581 1.00 62.50 ? 233 VAL O CA 1 ? ? +21149 ATOM C CB . VAL M 13 230 ? 36.077 -4.809 -63.666 1.00 62.37 ? 233 VAL O CB 1 ? ? +21150 ATOM C CG1 . VAL M 13 230 ? 37.381 -5.516 -63.284 1.00 62.75 ? 233 VAL O CG1 1 ? ? +21151 ATOM C CG2 . VAL M 13 230 ? 34.935 -5.297 -62.793 1.00 61.47 ? 233 VAL O CG2 1 ? ? +21152 ATOM C C . VAL M 13 230 ? 37.268 -2.757 -64.583 1.00 62.53 ? 233 VAL O C 1 ? ? +21153 ATOM O O . VAL M 13 230 ? 36.963 -2.547 -65.752 1.00 62.15 ? 233 VAL O O 1 ? ? +21154 ATOM N N . LYS M 13 231 ? 38.495 -2.560 -64.097 1.00 63.02 ? 234 LYS O N 1 ? ? +21155 ATOM C CA . LYS M 13 231 ? 39.618 -2.210 -64.949 1.00 64.50 ? 234 LYS O CA 1 ? ? +21156 ATOM C CB . LYS M 13 231 ? 40.298 -0.912 -64.486 1.00 66.76 ? 234 LYS O CB 1 ? ? +21157 ATOM C CG . LYS M 13 231 ? 41.529 -0.540 -65.320 1.00 70.00 ? 234 LYS O CG 1 ? ? +21158 ATOM C CD . LYS M 13 231 ? 42.124 0.783 -64.957 1.00 72.54 ? 234 LYS O CD 1 ? ? +21159 ATOM C CE . LYS M 13 231 ? 41.330 1.934 -65.509 1.00 74.59 ? 234 LYS O CE 1 ? ? +21160 ATOM N NZ . LYS M 13 231 ? 42.163 3.166 -65.515 1.00 76.81 ? 234 LYS O NZ 1 ? ? +21161 ATOM C C . LYS M 13 231 ? 40.586 -3.384 -64.916 1.00 63.12 ? 234 LYS O C 1 ? ? +21162 ATOM O O . LYS M 13 231 ? 40.940 -3.849 -63.837 1.00 63.43 ? 234 LYS O O 1 ? ? +21163 ATOM N N . ILE M 13 232 ? 40.978 -3.869 -66.099 1.00 61.94 ? 235 ILE O N 1 ? ? +21164 ATOM C CA . ILE M 13 232 ? 41.874 -5.008 -66.203 1.00 61.10 ? 235 ILE O CA 1 ? ? +21165 ATOM C CB . ILE M 13 232 ? 41.198 -6.168 -66.940 1.00 60.59 ? 235 ILE O CB 1 ? ? +21166 ATOM C CG1 . ILE M 13 232 ? 39.817 -6.502 -66.310 1.00 59.68 ? 235 ILE O CG1 1 ? ? +21167 ATOM C CG2 . ILE M 13 232 ? 42.131 -7.398 -66.972 1.00 60.57 ? 235 ILE O CG2 1 ? ? +21168 ATOM C CD1 . ILE M 13 232 ? 38.840 -6.817 -67.248 1.00 59.55 ? 235 ILE O CD1 1 ? ? +21169 ATOM C C . ILE M 13 232 ? 43.164 -4.594 -66.899 1.00 61.10 ? 235 ILE O C 1 ? ? +21170 ATOM O O . ILE M 13 232 ? 43.132 -4.006 -67.972 1.00 60.87 ? 235 ILE O O 1 ? ? +21171 ATOM N N . GLN M 13 233 ? 44.288 -4.910 -66.260 1.00 61.31 ? 236 GLN O N 1 ? ? +21172 ATOM C CA . GLN M 13 233 ? 45.603 -4.655 -66.822 1.00 62.33 ? 236 GLN O CA 1 ? ? +21173 ATOM C CB . GLN M 13 233 ? 46.421 -3.742 -65.920 1.00 63.27 ? 236 GLN O CB 1 ? ? +21174 ATOM C CG . GLN M 13 233 ? 45.891 -2.345 -65.907 1.00 64.24 ? 236 GLN O CG 1 ? ? +21175 ATOM C CD . GLN M 13 233 ? 46.385 -1.529 -64.741 1.00 65.39 ? 236 GLN O CD 1 ? ? +21176 ATOM O OE1 . GLN M 13 233 ? 47.327 -1.865 -64.008 1.00 66.45 ? 236 GLN O OE1 1 ? ? +21177 ATOM N NE2 . GLN M 13 233 ? 45.743 -0.410 -64.555 1.00 66.12 ? 236 GLN O NE2 1 ? ? +21178 ATOM C C . GLN M 13 233 ? 46.302 -5.992 -67.000 1.00 61.62 ? 236 GLN O C 1 ? ? +21179 ATOM O O . GLN M 13 233 ? 46.045 -6.931 -66.245 1.00 61.15 ? 236 GLN O O 1 ? ? +21180 ATOM N N . GLY M 13 234 ? 47.161 -6.052 -68.018 1.00 61.54 ? 237 GLY O N 1 ? ? +21181 ATOM C CA . GLY M 13 234 ? 47.958 -7.232 -68.273 1.00 61.33 ? 237 GLY O CA 1 ? ? +21182 ATOM C C . GLY M 13 234 ? 48.880 -7.053 -69.475 1.00 61.83 ? 237 GLY O C 1 ? ? +21183 ATOM O O . GLY M 13 234 ? 49.129 -5.936 -69.920 1.00 62.26 ? 237 GLY O O 1 ? ? +21184 ATOM N N . VAL M 13 235 ? 49.377 -8.181 -69.981 1.00 61.62 ? 238 VAL O N 1 ? ? +21185 ATOM C CA . VAL M 13 235 ? 50.251 -8.193 -71.135 1.00 62.43 ? 238 VAL O CA 1 ? ? +21186 ATOM C CB . VAL M 13 235 ? 51.629 -8.808 -70.801 1.00 62.73 ? 238 VAL O CB 1 ? ? +21187 ATOM C CG1 . VAL M 13 235 ? 52.266 -8.075 -69.631 1.00 62.82 ? 238 VAL O CG1 1 ? ? +21188 ATOM C CG2 . VAL M 13 235 ? 51.528 -10.302 -70.516 1.00 62.19 ? 238 VAL O CG2 1 ? ? +21189 ATOM C C . VAL M 13 235 ? 49.544 -8.938 -72.258 1.00 62.22 ? 238 VAL O C 1 ? ? +21190 ATOM O O . VAL M 13 235 ? 48.663 -9.754 -72.005 1.00 61.36 ? 238 VAL O O 1 ? ? +21191 ATOM N N . PHE M 13 236 ? 49.950 -8.638 -73.494 1.00 62.97 ? 239 PHE O N 1 ? ? +21192 ATOM C CA . PHE M 13 236 ? 49.427 -9.337 -74.649 1.00 62.97 ? 239 PHE O CA 1 ? ? +21193 ATOM C CB . PHE M 13 236 ? 48.369 -8.510 -75.385 1.00 62.84 ? 239 PHE O CB 1 ? ? +21194 ATOM C CG . PHE M 13 236 ? 48.902 -7.379 -76.219 1.00 63.62 ? 239 PHE O CG 1 ? ? +21195 ATOM C CD1 . PHE M 13 236 ? 49.099 -6.128 -75.670 1.00 63.79 ? 239 PHE O CD1 1 ? ? +21196 ATOM C CD2 . PHE M 13 236 ? 49.181 -7.560 -77.562 1.00 64.18 ? 239 PHE O CD2 1 ? ? +21197 ATOM C CE1 . PHE M 13 236 ? 49.569 -5.085 -76.448 1.00 64.58 ? 239 PHE O CE1 1 ? ? +21198 ATOM C CE2 . PHE M 13 236 ? 49.652 -6.517 -78.329 1.00 65.03 ? 239 PHE O CE2 1 ? ? +21199 ATOM C CZ . PHE M 13 236 ? 49.864 -5.293 -77.765 1.00 65.24 ? 239 PHE O CZ 1 ? ? +21200 ATOM C C . PHE M 13 236 ? 50.553 -9.716 -75.602 1.00 63.89 ? 239 PHE O C 1 ? ? +21201 ATOM O O . PHE M 13 236 ? 51.636 -9.136 -75.567 1.00 64.50 ? 239 PHE O O 1 ? ? +21202 ATOM N N . TYR M 13 237 ? 50.250 -10.714 -76.435 1.00 64.00 ? 240 TYR O N 1 ? ? +21203 ATOM C CA . TYR M 13 237 ? 51.103 -11.149 -77.520 1.00 64.93 ? 240 TYR O CA 1 ? ? +21204 ATOM C CB . TYR M 13 237 ? 51.843 -12.423 -77.117 1.00 64.88 ? 240 TYR O CB 1 ? ? +21205 ATOM C CG . TYR M 13 237 ? 52.432 -13.227 -78.254 1.00 65.47 ? 240 TYR O CG 1 ? ? +21206 ATOM C CD1 . TYR M 13 237 ? 51.665 -14.154 -78.947 1.00 65.19 ? 240 TYR O CD1 1 ? ? +21207 ATOM C CD2 . TYR M 13 237 ? 53.763 -13.077 -78.623 1.00 66.35 ? 240 TYR O CD2 1 ? ? +21208 ATOM C CE1 . TYR M 13 237 ? 52.206 -14.911 -79.979 1.00 65.77 ? 240 TYR O CE1 1 ? ? +21209 ATOM C CE2 . TYR M 13 237 ? 54.316 -13.829 -79.651 1.00 66.89 ? 240 TYR O CE2 1 ? ? +21210 ATOM C CZ . TYR M 13 237 ? 53.537 -14.748 -80.324 1.00 66.59 ? 240 TYR O CZ 1 ? ? +21211 ATOM O OH . TYR M 13 237 ? 54.076 -15.485 -81.349 1.00 67.08 ? 240 TYR O OH 1 ? ? +21212 ATOM C C . TYR M 13 237 ? 50.222 -11.359 -78.743 1.00 65.23 ? 240 TYR O C 1 ? ? +21213 ATOM O O . TYR M 13 237 ? 49.106 -11.855 -78.633 1.00 64.54 ? 240 TYR O O 1 ? ? +21214 ATOM N N . ALA M 13 238 ? 50.736 -10.962 -79.906 1.00 66.55 ? 241 ALA O N 1 ? ? +21215 ATOM C CA . ALA M 13 238 ? 50.067 -11.223 -81.165 1.00 67.13 ? 241 ALA O CA 1 ? ? +21216 ATOM C CB . ALA M 13 238 ? 49.285 -10.005 -81.611 1.00 67.27 ? 241 ALA O CB 1 ? ? +21217 ATOM C C . ALA M 13 238 ? 51.108 -11.602 -82.208 1.00 68.61 ? 241 ALA O C 1 ? ? +21218 ATOM O O . ALA M 13 238 ? 52.206 -11.044 -82.210 1.00 69.32 ? 241 ALA O O 1 ? ? +21219 ATOM N N . SER M 13 239 ? 50.750 -12.556 -83.077 1.00 69.30 ? 242 SER O N 1 ? ? +21220 ATOM C CA . SER M 13 239 ? 51.521 -12.816 -84.282 1.00 70.99 ? 242 SER O CA 1 ? ? +21221 ATOM C CB . SER M 13 239 ? 51.955 -14.273 -84.361 1.00 71.17 ? 242 SER O CB 1 ? ? +21222 ATOM O OG . SER M 13 239 ? 50.823 -15.122 -84.425 1.00 70.97 ? 242 SER O OG 1 ? ? +21223 ATOM C C . SER M 13 239 ? 50.700 -12.406 -85.504 1.00 71.68 ? 242 SER O C 1 ? ? +21224 ATOM O O . SER M 13 239 ? 49.559 -12.833 -85.687 1.00 70.86 ? 242 SER O O 1 ? ? +21225 ATOM N N . ILE M 13 240 ? 51.290 -11.513 -86.304 1.00 73.08 ? 243 ILE O N 1 ? ? +21226 ATOM C CA . ILE M 13 240 ? 50.689 -11.027 -87.530 1.00 73.83 ? 243 ILE O CA 1 ? ? +21227 ATOM C CB . ILE M 13 240 ? 50.925 -9.510 -87.699 1.00 74.57 ? 243 ILE O CB 1 ? ? +21228 ATOM C CG1 . ILE M 13 240 ? 50.447 -8.737 -86.446 1.00 73.88 ? 243 ILE O CG1 1 ? ? +21229 ATOM C CG2 . ILE M 13 240 ? 50.281 -8.989 -88.971 1.00 75.10 ? 243 ILE O CG2 1 ? ? +21230 ATOM C CD1 . ILE M 13 240 ? 51.011 -7.355 -86.320 1.00 74.58 ? 243 ILE O CD1 1 ? ? +21231 ATOM C C . ILE M 13 240 ? 51.321 -11.828 -88.657 1.00 74.97 ? 243 ILE O C 1 ? ? +21232 ATOM O O . ILE M 13 240 ? 52.498 -12.171 -88.590 1.00 75.89 ? 243 ILE O O 1 ? ? +21233 ATOM N N . GLU M 13 241 ? 50.529 -12.130 -89.686 1.00 75.32 ? 244 GLU O N 1 ? ? +21234 ATOM C CA . GLU M 13 241 ? 51.059 -12.807 -90.855 1.00 76.55 ? 244 GLU O CA 1 ? ? +21235 ATOM C CB . GLU M 13 241 ? 51.123 -14.325 -90.616 1.00 76.09 ? 244 GLU O CB 1 ? ? +21236 ATOM C CG . GLU M 13 241 ? 49.796 -15.031 -90.654 1.00 75.34 ? 244 GLU O CG 1 ? ? +21237 ATOM C CD . GLU M 13 241 ? 49.859 -16.470 -90.188 1.00 75.11 ? 244 GLU O CD 1 ? ? +21238 ATOM O OE1 . GLU M 13 241 ? 50.955 -16.919 -89.783 1.00 75.43 ? 244 GLU O OE1 1 ? ? +21239 ATOM O OE2 . GLU M 13 241 ? 48.807 -17.150 -90.218 1.00 74.77 ? 244 GLU O OE2 1 ? ? +21240 ATOM C C . GLU M 13 241 ? 50.225 -12.452 -92.082 1.00 77.11 ? 244 GLU O C 1 ? ? +21241 ATOM O O . GLU M 13 241 ? 49.031 -12.179 -91.961 1.00 76.43 ? 244 GLU O O 1 ? ? +21242 ATOM N N . PRO M 13 242 ? 50.844 -12.420 -93.288 1.00 78.50 ? 245 PRO O N 1 ? ? +21243 ATOM C CA . PRO M 13 242 ? 50.119 -12.108 -94.520 1.00 79.23 ? 245 PRO O CA 1 ? ? +21244 ATOM C CB . PRO M 13 242 ? 51.239 -11.968 -95.547 1.00 80.22 ? 245 PRO O CB 1 ? ? +21245 ATOM C CG . PRO M 13 242 ? 52.366 -12.792 -94.988 1.00 80.14 ? 245 PRO O CG 1 ? ? +21246 ATOM C CD . PRO M 13 242 ? 52.277 -12.671 -93.520 1.00 79.22 ? 245 PRO O CD 1 ? ? +21247 ATOM C C . PRO M 13 242 ? 49.129 -13.214 -94.872 1.00 79.32 ? 245 PRO O C 1 ? ? +21248 ATOM O O . PRO M 13 242 ? 49.463 -14.392 -94.764 1.00 79.35 ? 245 PRO O O 1 ? ? +21249 ATOM N N . ALA M 13 243 ? 47.909 -12.811 -95.261 1.00 79.57 ? 246 ALA O N 1 ? ? +21250 ATOM C CA . ALA M 13 243 ? 46.780 -13.711 -95.452 1.00 78.87 ? 246 ALA O CA 1 ? ? +21251 ATOM C CB . ALA M 13 243 ? 45.566 -13.179 -94.729 1.00 78.03 ? 246 ALA O CB 1 ? ? +21252 ATOM C C . ALA M 13 243 ? 46.454 -13.833 -96.903 1.00 79.91 ? 246 ALA O C 1 ? ? +21253 ATOM O O . ALA M 13 243 ? 46.046 -14.894 -97.374 1.00 80.06 ? 246 ALA O O 1 ? ? +21254 ATOM O OXT . ALA M 13 243 ? 46.562 -12.845 -97.619 1.00 81.09 ? 246 ALA O OXT 1 ? ? +21255 ATOM N N . ASP N 27 1 ? -16.033 -77.788 -62.305 1.00 98.08 ? 2 ASP R N 1 ? ? +21256 ATOM C CA . ASP N 27 1 ? -14.840 -77.408 -63.057 1.00 96.38 ? 2 ASP R CA 1 ? ? +21257 ATOM C CB . ASP N 27 1 ? -14.348 -76.025 -62.589 1.00 95.42 ? 2 ASP R CB 1 ? ? +21258 ATOM C CG . ASP N 27 1 ? -13.262 -75.372 -63.442 1.00 95.91 ? 2 ASP R CG 1 ? ? +21259 ATOM O OD1 . ASP N 27 1 ? -12.659 -76.077 -64.298 1.00 95.54 ? 2 ASP R OD1 1 ? ? +21260 ATOM O OD2 . ASP N 27 1 ? -13.024 -74.149 -63.265 1.00 95.10 ? 2 ASP R OD2 1 ? ? +21261 ATOM C C . ASP N 27 1 ? -13.768 -78.485 -62.889 1.00 95.36 ? 2 ASP R C 1 ? ? +21262 ATOM O O . ASP N 27 1 ? -13.308 -78.733 -61.776 1.00 94.36 ? 2 ASP R O 1 ? ? +21263 ATOM N N . TRP N 27 2 ? -13.382 -79.114 -64.009 1.00 94.45 ? 3 TRP R N 1 ? ? +21264 ATOM C CA . TRP N 27 2 ? -12.464 -80.244 -64.002 1.00 95.23 ? 3 TRP R CA 1 ? ? +21265 ATOM C CB . TRP N 27 2 ? -12.377 -80.887 -65.417 1.00 96.38 ? 3 TRP R CB 1 ? ? +21266 ATOM C CG . TRP N 27 2 ? -11.751 -80.006 -66.464 1.00 98.26 ? 3 TRP R CG 1 ? ? +21267 ATOM C CD1 . TRP N 27 2 ? -12.381 -79.086 -67.251 1.00 99.15 ? 3 TRP R CD1 1 ? ? +21268 ATOM N NE1 . TRP N 27 2 ? -11.465 -78.451 -68.068 1.00 98.77 ? 3 TRP R NE1 1 ? ? +21269 ATOM C CE2 . TRP N 27 2 ? -10.210 -78.949 -67.807 1.00 98.66 ? 3 TRP R CE2 1 ? ? +21270 ATOM C CZ2 . TRP N 27 2 ? -8.967 -78.622 -68.366 1.00 97.95 ? 3 TRP R CZ2 1 ? ? +21271 ATOM C CH2 . TRP N 27 2 ? -7.863 -79.292 -67.892 1.00 97.96 ? 3 TRP R CH2 1 ? ? +21272 ATOM C CZ3 . TRP N 27 2 ? -7.971 -80.264 -66.889 1.00 98.34 ? 3 TRP R CZ3 1 ? ? +21273 ATOM C CE3 . TRP N 27 2 ? -9.198 -80.588 -66.334 1.00 98.81 ? 3 TRP R CE3 1 ? ? +21274 ATOM C CD2 . TRP N 27 2 ? -10.349 -79.927 -66.796 1.00 99.22 ? 3 TRP R CD2 1 ? ? +21275 ATOM C C . TRP N 27 2 ? -11.058 -79.895 -63.500 1.00 95.86 ? 3 TRP R C 1 ? ? +21276 ATOM O O . TRP N 27 2 ? -10.329 -80.771 -63.025 1.00 96.37 ? 3 TRP R O 1 ? ? +21277 ATOM N N . ARG N 27 3 ? -10.671 -78.615 -63.614 1.00 93.72 ? 4 ARG R N 1 ? ? +21278 ATOM C CA . ARG N 27 3 ? -9.358 -78.167 -63.178 1.00 91.43 ? 4 ARG R CA 1 ? ? +21279 ATOM C CB . ARG N 27 3 ? -9.094 -76.726 -63.649 1.00 89.77 ? 4 ARG R CB 1 ? ? +21280 ATOM C CG . ARG N 27 3 ? -9.002 -76.584 -65.165 1.00 88.90 ? 4 ARG R CG 1 ? ? +21281 ATOM C CD . ARG N 27 3 ? -8.809 -75.149 -65.588 1.00 86.89 ? 4 ARG R CD 1 ? ? +21282 ATOM N NE . ARG N 27 3 ? -9.990 -74.347 -65.294 1.00 86.67 ? 4 ARG R NE 1 ? ? +21283 ATOM C CZ . ARG N 27 3 ? -10.031 -73.023 -65.345 1.00 85.35 ? 4 ARG R CZ 1 ? ? +21284 ATOM N NH1 . ARG N 27 3 ? -8.968 -72.309 -65.681 1.00 84.24 ? 4 ARG R NH1 1 ? ? +21285 ATOM N NH2 . ARG N 27 3 ? -11.164 -72.397 -65.041 1.00 85.22 ? 4 ARG R NH2 1 ? ? +21286 ATOM C C . ARG N 27 3 ? -9.199 -78.256 -61.662 1.00 91.27 ? 4 ARG R C 1 ? ? +21287 ATOM O O . ARG N 27 3 ? -8.089 -78.466 -61.176 1.00 91.10 ? 4 ARG R O 1 ? ? +21288 ATOM N N . VAL N 27 4 ? -10.313 -78.091 -60.933 1.00 91.47 ? 5 VAL R N 1 ? ? +21289 ATOM C CA . VAL N 27 4 ? -10.321 -78.189 -59.480 1.00 91.83 ? 5 VAL R CA 1 ? ? +21290 ATOM C CB . VAL N 27 4 ? -11.653 -77.675 -58.853 1.00 92.36 ? 5 VAL R CB 1 ? ? +21291 ATOM C CG1 . VAL N 27 4 ? -11.592 -77.663 -57.322 1.00 91.55 ? 5 VAL R CG1 1 ? ? +21292 ATOM C CG2 . VAL N 27 4 ? -12.035 -76.289 -59.381 1.00 91.89 ? 5 VAL R CG2 1 ? ? +21293 ATOM C C . VAL N 27 4 ? -10.048 -79.637 -59.069 1.00 92.91 ? 5 VAL R C 1 ? ? +21294 ATOM O O . VAL N 27 4 ? -9.336 -79.877 -58.094 1.00 94.25 ? 5 VAL R O 1 ? ? +21295 ATOM N N . LEU N 27 5 ? -10.612 -80.590 -59.827 1.00 93.60 ? 6 LEU R N 1 ? ? +21296 ATOM C CA . LEU N 27 5 ? -10.475 -82.013 -59.542 1.00 94.04 ? 6 LEU R CA 1 ? ? +21297 ATOM C CB . LEU N 27 5 ? -11.568 -82.822 -60.307 1.00 95.60 ? 6 LEU R CB 1 ? ? +21298 ATOM C CG . LEU N 27 5 ? -11.769 -84.316 -59.922 1.00 96.73 ? 6 LEU R CG 1 ? ? +21299 ATOM C CD1 . LEU N 27 5 ? -10.674 -85.223 -60.506 1.00 96.50 ? 6 LEU R CD1 1 ? ? +21300 ATOM C CD2 . LEU N 27 5 ? -11.849 -84.499 -58.398 1.00 96.50 ? 6 LEU R CD2 1 ? ? +21301 ATOM C C . LEU N 27 5 ? -9.078 -82.523 -59.895 1.00 92.14 ? 6 LEU R C 1 ? ? +21302 ATOM O O . LEU N 27 5 ? -8.516 -83.325 -59.154 1.00 91.17 ? 6 LEU R O 1 ? ? +21303 ATOM N N . VAL N 27 6 ? -8.536 -82.052 -61.027 1.00 91.09 ? 7 VAL R N 1 ? ? +21304 ATOM C CA . VAL N 27 6 ? -7.159 -82.323 -61.422 1.00 90.21 ? 7 VAL R CA 1 ? ? +21305 ATOM C CB . VAL N 27 6 ? -6.877 -81.765 -62.856 1.00 88.96 ? 7 VAL R CB 1 ? ? +21306 ATOM C CG1 . VAL N 27 6 ? -5.383 -81.567 -63.125 1.00 88.07 ? 7 VAL R CG1 1 ? ? +21307 ATOM C CG2 . VAL N 27 6 ? -7.499 -82.650 -63.922 1.00 89.11 ? 7 VAL R CG2 1 ? ? +21308 ATOM C C . VAL N 27 6 ? -6.142 -81.788 -60.410 1.00 89.94 ? 7 VAL R C 1 ? ? +21309 ATOM O O . VAL N 27 6 ? -5.072 -82.374 -60.251 1.00 90.55 ? 7 VAL R O 1 ? ? +21310 ATOM N N . VAL N 27 7 ? -6.471 -80.676 -59.734 1.00 89.15 ? 8 VAL R N 1 ? ? +21311 ATOM C CA . VAL N 27 7 ? -5.582 -80.082 -58.747 1.00 88.67 ? 8 VAL R CA 1 ? ? +21312 ATOM C CB . VAL N 27 7 ? -5.791 -78.557 -58.644 1.00 86.55 ? 8 VAL R CB 1 ? ? +21313 ATOM C CG1 . VAL N 27 7 ? -5.019 -77.972 -57.463 1.00 85.26 ? 8 VAL R CG1 1 ? ? +21314 ATOM C CG2 . VAL N 27 7 ? -5.394 -77.869 -59.939 1.00 86.23 ? 8 VAL R CG2 1 ? ? +21315 ATOM C C . VAL N 27 7 ? -5.708 -80.730 -57.369 1.00 90.58 ? 8 VAL R C 1 ? ? +21316 ATOM O O . VAL N 27 7 ? -4.694 -80.963 -56.712 1.00 92.70 ? 8 VAL R O 1 ? ? +21317 ATOM N N . LEU N 27 8 ? -6.947 -80.979 -56.922 1.00 91.30 ? 9 LEU R N 1 ? ? +21318 ATOM C CA . LEU N 27 8 ? -7.187 -81.617 -55.634 1.00 92.23 ? 9 LEU R CA 1 ? ? +21319 ATOM C CB . LEU N 27 8 ? -8.691 -81.561 -55.259 1.00 93.98 ? 9 LEU R CB 1 ? ? +21320 ATOM C CG . LEU N 27 8 ? -9.221 -80.232 -54.694 1.00 94.39 ? 9 LEU R CG 1 ? ? +21321 ATOM C CD1 . LEU N 27 8 ? -10.597 -80.419 -54.068 1.00 94.74 ? 9 LEU R CD1 1 ? ? +21322 ATOM C CD2 . LEU N 27 8 ? -8.255 -79.619 -53.669 1.00 94.25 ? 9 LEU R CD2 1 ? ? +21323 ATOM C C . LEU N 27 8 ? -6.729 -83.075 -55.608 1.00 92.37 ? 9 LEU R C 1 ? ? +21324 ATOM O O . LEU N 27 8 ? -6.236 -83.544 -54.588 1.00 90.37 ? 9 LEU R O 1 ? ? +21325 ATOM N N . LEU N 27 9 ? -6.909 -83.777 -56.735 1.00 94.73 ? 10 LEU R N 1 ? ? +21326 ATOM C CA . LEU N 27 9 ? -6.701 -85.217 -56.815 1.00 96.72 ? 10 LEU R CA 1 ? ? +21327 ATOM C CB . LEU N 27 9 ? -6.996 -85.694 -58.274 1.00 98.56 ? 10 LEU R CB 1 ? ? +21328 ATOM C CG . LEU N 27 9 ? -6.703 -87.155 -58.681 1.00 100.71 ? 10 LEU R CG 1 ? ? +21329 ATOM C CD1 . LEU N 27 9 ? -7.111 -87.398 -60.128 1.00 101.57 ? 10 LEU R CD1 1 ? ? +21330 ATOM C CD2 . LEU N 27 9 ? -5.233 -87.529 -58.538 1.00 100.55 ? 10 LEU R CD2 1 ? ? +21331 ATOM C C . LEU N 27 9 ? -5.317 -85.632 -56.311 1.00 95.99 ? 10 LEU R C 1 ? ? +21332 ATOM O O . LEU N 27 9 ? -5.229 -86.527 -55.471 1.00 97.73 ? 10 LEU R O 1 ? ? +21333 ATOM N N . PRO N 27 10 ? -4.196 -85.021 -56.770 1.00 93.41 ? 11 PRO R N 1 ? ? +21334 ATOM C CA . PRO N 27 10 ? -2.878 -85.332 -56.205 1.00 93.02 ? 11 PRO R CA 1 ? ? +21335 ATOM C CB . PRO N 27 10 ? -1.933 -84.383 -56.954 1.00 91.59 ? 11 PRO R CB 1 ? ? +21336 ATOM C CG . PRO N 27 10 ? -2.668 -83.993 -58.195 1.00 91.76 ? 11 PRO R CG 1 ? ? +21337 ATOM C CD . PRO N 27 10 ? -4.129 -84.043 -57.867 1.00 92.13 ? 11 PRO R CD 1 ? ? +21338 ATOM C C . PRO N 27 10 ? -2.784 -85.136 -54.689 1.00 93.74 ? 11 PRO R C 1 ? ? +21339 ATOM O O . PRO N 27 10 ? -2.089 -85.888 -54.007 1.00 93.05 ? 11 PRO R O 1 ? ? +21340 ATOM N N . VAL N 27 11 ? -3.493 -84.125 -54.166 1.00 94.23 ? 12 VAL R N 1 ? ? +21341 ATOM C CA . VAL N 27 11 ? -3.540 -83.861 -52.735 1.00 94.58 ? 12 VAL R CA 1 ? ? +21342 ATOM C CB . VAL N 27 11 ? -4.171 -82.471 -52.428 1.00 94.40 ? 12 VAL R CB 1 ? ? +21343 ATOM C CG1 . VAL N 27 11 ? -4.335 -82.244 -50.921 1.00 94.28 ? 12 VAL R CG1 1 ? ? +21344 ATOM C CG2 . VAL N 27 11 ? -3.364 -81.345 -53.060 1.00 93.78 ? 12 VAL R CG2 1 ? ? +21345 ATOM C C . VAL N 27 11 ? -4.290 -84.960 -51.983 1.00 96.53 ? 12 VAL R C 1 ? ? +21346 ATOM O O . VAL N 27 11 ? -3.828 -85.397 -50.928 1.00 96.82 ? 12 VAL R O 1 ? ? +21347 ATOM N N . LEU N 27 12 ? -5.453 -85.369 -52.518 1.00 97.59 ? 13 LEU R N 1 ? ? +21348 ATOM C CA . LEU N 27 12 ? -6.305 -86.370 -51.886 1.00 98.87 ? 13 LEU R CA 1 ? ? +21349 ATOM C CB . LEU N 27 12 ? -7.694 -86.442 -52.590 1.00 100.57 ? 13 LEU R CB 1 ? ? +21350 ATOM C CG . LEU N 27 12 ? -8.625 -85.212 -52.428 1.00 101.44 ? 13 LEU R CG 1 ? ? +21351 ATOM C CD1 . LEU N 27 12 ? -10.028 -85.505 -52.947 1.00 102.26 ? 13 LEU R CD1 1 ? ? +21352 ATOM C CD2 . LEU N 27 12 ? -8.707 -84.737 -50.973 1.00 101.26 ? 13 LEU R CD2 1 ? ? +21353 ATOM C C . LEU N 27 12 ? -5.648 -87.752 -51.868 1.00 98.82 ? 13 LEU R C 1 ? ? +21354 ATOM O O . LEU N 27 12 ? -5.711 -88.446 -50.855 1.00 98.42 ? 13 LEU R O 1 ? ? +21355 ATOM N N . LEU N 27 13 ? -5.001 -88.141 -52.978 1.00 98.58 ? 14 LEU R N 1 ? ? +21356 ATOM C CA . LEU N 27 13 ? -4.272 -89.401 -53.049 1.00 98.59 ? 14 LEU R CA 1 ? ? +21357 ATOM C CB . LEU N 27 13 ? -3.840 -89.712 -54.502 1.00 99.01 ? 14 LEU R CB 1 ? ? +21358 ATOM C CG . LEU N 27 13 ? -4.951 -89.908 -55.559 1.00 99.85 ? 14 LEU R CG 1 ? ? +21359 ATOM C CD1 . LEU N 27 13 ? -4.353 -90.287 -56.910 1.00 100.19 ? 14 LEU R CD1 1 ? ? +21360 ATOM C CD2 . LEU N 27 13 ? -5.961 -90.964 -55.146 1.00 100.68 ? 14 LEU R CD2 1 ? ? +21361 ATOM C C . LEU N 27 13 ? -3.031 -89.409 -52.152 1.00 97.57 ? 14 LEU R C 1 ? ? +21362 ATOM O O . LEU N 27 13 ? -2.494 -90.470 -51.848 1.00 99.15 ? 14 LEU R O 1 ? ? +21363 ATOM N N . ALA N 27 14 ? -2.555 -88.223 -51.754 1.00 95.74 ? 15 ALA R N 1 ? ? +21364 ATOM C CA . ALA N 27 14 ? -1.500 -88.101 -50.758 1.00 93.50 ? 15 ALA R CA 1 ? ? +21365 ATOM C CB . ALA N 27 14 ? -0.794 -86.774 -50.928 1.00 91.62 ? 15 ALA R CB 1 ? ? +21366 ATOM C C . ALA N 27 14 ? -2.025 -88.237 -49.327 1.00 93.41 ? 15 ALA R C 1 ? ? +21367 ATOM O O . ALA N 27 14 ? -1.361 -88.837 -48.481 1.00 93.46 ? 15 ALA R O 1 ? ? +21368 ATOM N N . ALA N 27 15 ? -3.212 -87.665 -49.068 1.00 93.01 ? 16 ALA R N 1 ? ? +21369 ATOM C CA . ALA N 27 15 ? -3.897 -87.799 -47.790 1.00 92.05 ? 16 ALA R CA 1 ? ? +21370 ATOM C CB . ALA N 27 15 ? -5.169 -86.953 -47.778 1.00 91.26 ? 16 ALA R CB 1 ? ? +21371 ATOM C C . ALA N 27 15 ? -4.234 -89.259 -47.483 1.00 92.63 ? 16 ALA R C 1 ? ? +21372 ATOM O O . ALA N 27 15 ? -4.085 -89.706 -46.348 1.00 92.31 ? 16 ALA R O 1 ? ? +21373 ATOM N N . GLY N 27 16 ? -4.692 -89.991 -48.508 1.00 93.29 ? 17 GLY R N 1 ? ? +21374 ATOM C CA . GLY N 27 16 ? -5.065 -91.389 -48.361 1.00 94.38 ? 17 GLY R CA 1 ? ? +21375 ATOM C C . GLY N 27 16 ? -3.862 -92.304 -48.153 1.00 94.88 ? 17 GLY R C 1 ? ? +21376 ATOM O O . GLY N 27 16 ? -3.920 -93.236 -47.357 1.00 95.69 ? 17 GLY R O 1 ? ? +21377 ATOM N N . TRP N 27 17 ? -2.776 -92.021 -48.883 1.00 95.46 ? 18 TRP R N 1 ? ? +21378 ATOM C CA . TRP N 27 17 ? -1.528 -92.760 -48.761 1.00 95.88 ? 18 TRP R CA 1 ? ? +21379 ATOM C CB . TRP N 27 17 ? -0.519 -92.282 -49.811 1.00 95.97 ? 18 TRP R CB 1 ? ? +21380 ATOM C CG . TRP N 27 17 ? 0.813 -92.964 -49.706 1.00 96.63 ? 18 TRP R CG 1 ? ? +21381 ATOM C CD1 . TRP N 27 17 ? 1.997 -92.394 -49.336 1.00 96.20 ? 18 TRP R CD1 1 ? ? +21382 ATOM N NE1 . TRP N 27 17 ? 3.004 -93.336 -49.351 1.00 96.59 ? 18 TRP R NE1 1 ? ? +21383 ATOM C CE2 . TRP N 27 17 ? 2.477 -94.546 -49.730 1.00 98.19 ? 18 TRP R CE2 1 ? ? +21384 ATOM C CZ2 . TRP N 27 17 ? 3.094 -95.793 -49.895 1.00 98.85 ? 18 TRP R CZ2 1 ? ? +21385 ATOM C CH2 . TRP N 27 17 ? 2.296 -96.848 -50.290 1.00 99.68 ? 18 TRP R CH2 1 ? ? +21386 ATOM C CZ3 . TRP N 27 17 ? 0.923 -96.683 -50.523 1.00 99.55 ? 18 TRP R CZ3 1 ? ? +21387 ATOM C CE3 . TRP N 27 17 ? 0.313 -95.448 -50.364 1.00 98.51 ? 18 TRP R CE3 1 ? ? +21388 ATOM C CD2 . TRP N 27 17 ? 1.094 -94.351 -49.957 1.00 97.84 ? 18 TRP R CD2 1 ? ? +21389 ATOM C C . TRP N 27 17 ? -0.879 -92.639 -47.383 1.00 95.38 ? 18 TRP R C 1 ? ? +21390 ATOM O O . TRP N 27 17 ? -0.301 -93.602 -46.885 1.00 94.77 ? 18 TRP R O 1 ? ? +21391 ATOM N N . ALA N 27 18 ? -0.950 -91.436 -46.798 1.00 95.07 ? 19 ALA R N 1 ? ? +21392 ATOM C CA . ALA N 27 18 ? -0.479 -91.200 -45.441 1.00 94.96 ? 19 ALA R CA 1 ? ? +21393 ATOM C CB . ALA N 27 18 ? -0.486 -89.707 -45.145 1.00 93.04 ? 19 ALA R CB 1 ? ? +21394 ATOM C C . ALA N 27 18 ? -1.304 -91.953 -44.393 1.00 96.96 ? 19 ALA R C 1 ? ? +21395 ATOM O O . ALA N 27 18 ? -0.734 -92.535 -43.469 1.00 96.29 ? 19 ALA R O 1 ? ? +21396 ATOM N N . VAL N 27 19 ? -2.641 -91.926 -44.548 1.00 97.79 ? 20 VAL R N 1 ? ? +21397 ATOM C CA . VAL N 27 19 ? -3.564 -92.643 -43.676 1.00 100.03 ? 20 VAL R CA 1 ? ? +21398 ATOM C CB . VAL N 27 19 ? -5.051 -92.334 -44.071 1.00 100.41 ? 20 VAL R CB 1 ? ? +21399 ATOM C CG1 . VAL N 27 19 ? -5.992 -93.521 -43.801 1.00 100.75 ? 20 VAL R CG1 1 ? ? +21400 ATOM C CG2 . VAL N 27 19 ? -5.553 -91.066 -43.377 1.00 99.23 ? 20 VAL R CG2 1 ? ? +21401 ATOM C C . VAL N 27 19 ? -3.288 -94.149 -43.651 1.00 102.68 ? 20 VAL R C 1 ? ? +21402 ATOM O O . VAL N 27 19 ? -3.233 -94.750 -42.580 1.00 103.37 ? 20 VAL R O 1 ? ? +21403 ATOM N N . ARG N 27 20 ? -3.127 -94.752 -44.838 1.00 104.18 ? 21 ARG R N 1 ? ? +21404 ATOM C CA . ARG N 27 20 ? -2.856 -96.176 -44.971 1.00 105.85 ? 21 ARG R CA 1 ? ? +21405 ATOM C CB . ARG N 27 20 ? -2.629 -96.528 -46.452 1.00 106.37 ? 21 ARG R CB 1 ? ? +21406 ATOM C CG . ARG N 27 20 ? -2.805 -98.004 -46.775 1.00 109.13 ? 21 ARG R CG 1 ? ? +21407 ATOM C CD . ARG N 27 20 ? -2.499 -98.306 -48.243 1.00 110.19 ? 21 ARG R CD 1 ? ? +21408 ATOM N NE . ARG N 27 20 ? -2.849 -99.673 -48.619 1.00 111.89 ? 21 ARG R NE 1 ? ? +21409 ATOM C CZ . ARG N 27 20 ? -4.086 -100.161 -48.657 1.00 112.62 ? 21 ARG R CZ 1 ? ? +21410 ATOM N NH1 . ARG N 27 20 ? -5.149 -99.374 -48.566 1.00 112.37 ? 21 ARG R NH1 1 ? ? +21411 ATOM N NH2 . ARG N 27 20 ? -4.260 -101.472 -48.803 1.00 113.08 ? 21 ARG R NH2 1 ? ? +21412 ATOM C C . ARG N 27 20 ? -1.637 -96.610 -44.155 1.00 106.50 ? 21 ARG R C 1 ? ? +21413 ATOM O O . ARG N 27 20 ? -1.674 -97.645 -43.492 1.00 109.26 ? 21 ARG R O 1 ? ? +21414 ATOM N N . ASN N 27 21 ? -0.569 -95.801 -44.214 1.00 104.57 ? 22 ASN R N 1 ? ? +21415 ATOM C CA . ASN N 27 21 ? 0.686 -96.079 -43.529 1.00 104.53 ? 22 ASN R CA 1 ? ? +21416 ATOM C CB . ASN N 27 21 ? 1.834 -95.377 -44.253 1.00 102.97 ? 22 ASN R CB 1 ? ? +21417 ATOM C CG . ASN N 27 21 ? 2.144 -95.899 -45.623 1.00 103.31 ? 22 ASN R CG 1 ? ? +21418 ATOM O OD1 . ASN N 27 21 ? 3.150 -96.574 -45.829 1.00 103.40 ? 22 ASN R OD1 1 ? ? +21419 ATOM N ND2 . ASN N 27 21 ? 1.303 -95.585 -46.594 1.00 103.92 ? 22 ASN R ND2 1 ? ? +21420 ATOM C C . ASN N 27 21 ? 0.764 -95.641 -42.065 1.00 105.63 ? 22 ASN R C 1 ? ? +21421 ATOM O O . ASN N 27 21 ? 1.737 -95.972 -41.385 1.00 106.35 ? 22 ASN R O 1 ? ? +21422 ATOM N N . ILE N 27 22 ? -0.227 -94.867 -41.595 1.00 105.66 ? 23 ILE R N 1 ? ? +21423 ATOM C CA . ILE N 27 22 ? -0.220 -94.356 -40.231 1.00 105.01 ? 23 ILE R CA 1 ? ? +21424 ATOM C CB . ILE N 27 22 ? -0.061 -92.811 -40.253 1.00 102.82 ? 23 ILE R CB 1 ? ? +21425 ATOM C CG1 . ILE N 27 22 ? 0.742 -92.323 -39.029 1.00 102.33 ? 23 ILE R CG1 1 ? ? +21426 ATOM C CG2 . ILE N 27 22 ? -1.414 -92.080 -40.374 1.00 102.32 ? 23 ILE R CG2 1 ? ? +21427 ATOM C CD1 . ILE N 27 22 ? 2.223 -92.786 -39.010 1.00 102.04 ? 23 ILE R CD1 1 ? ? +21428 ATOM C C . ILE N 27 22 ? -1.425 -94.741 -39.371 1.00 107.97 ? 23 ILE R C 1 ? ? +21429 ATOM O O . ILE N 27 22 ? -1.371 -94.571 -38.154 1.00 108.50 ? 23 ILE R O 1 ? ? +21430 ATOM N N . LEU N 27 23 ? -2.498 -95.264 -39.991 1.00 110.20 ? 24 LEU R N 1 ? ? +21431 ATOM C CA . LEU N 27 23 ? -3.722 -95.586 -39.269 1.00 111.95 ? 24 LEU R CA 1 ? ? +21432 ATOM C CB . LEU N 27 23 ? -4.797 -96.176 -40.229 1.00 112.90 ? 24 LEU R CB 1 ? ? +21433 ATOM C CG . LEU N 27 23 ? -6.243 -96.387 -39.680 1.00 112.62 ? 24 LEU R CG 1 ? ? +21434 ATOM C CD1 . LEU N 27 23 ? -6.321 -97.551 -38.696 1.00 113.58 ? 24 LEU R CD1 1 ? ? +21435 ATOM C CD2 . LEU N 27 23 ? -6.796 -95.110 -39.034 1.00 111.54 ? 24 LEU R CD2 1 ? ? +21436 ATOM C C . LEU N 27 23 ? -3.471 -96.523 -38.086 1.00 114.27 ? 24 LEU R C 1 ? ? +21437 ATOM O O . LEU N 27 23 ? -3.998 -96.263 -37.004 1.00 114.15 ? 24 LEU R O 1 ? ? +21438 ATOM N N . PRO N 27 24 ? -2.659 -97.607 -38.211 1.00 115.81 ? 25 PRO R N 1 ? ? +21439 ATOM C CA . PRO N 27 24 ? -2.464 -98.537 -37.093 1.00 117.49 ? 25 PRO R CA 1 ? ? +21440 ATOM C CB . PRO N 27 24 ? -1.490 -99.585 -37.659 1.00 117.47 ? 25 PRO R CB 1 ? ? +21441 ATOM C CG . PRO N 27 24 ? -0.820 -98.911 -38.816 1.00 116.36 ? 25 PRO R CG 1 ? ? +21442 ATOM C CD . PRO N 27 24 ? -1.867 -97.991 -39.394 1.00 115.67 ? 25 PRO R CD 1 ? ? +21443 ATOM C C . PRO N 27 24 ? -1.916 -97.868 -35.831 1.00 118.77 ? 25 PRO R C 1 ? ? +21444 ATOM O O . PRO N 27 24 ? -2.335 -98.213 -34.732 1.00 120.63 ? 25 PRO R O 1 ? ? +21445 ATOM N N . TYR N 27 25 ? -1.004 -96.899 -36.000 1.00 118.04 ? 26 TYR R N 1 ? ? +21446 ATOM C CA . TYR N 27 25 ? -0.411 -96.171 -34.886 1.00 117.57 ? 26 TYR R CA 1 ? ? +21447 ATOM C CB . TYR N 27 25 ? 0.982 -95.616 -35.245 1.00 117.02 ? 26 TYR R CB 1 ? ? +21448 ATOM C CG . TYR N 27 25 ? 1.829 -96.532 -36.103 1.00 118.57 ? 26 TYR R CG 1 ? ? +21449 ATOM C CD1 . TYR N 27 25 ? 1.673 -96.566 -37.482 1.00 120.47 ? 26 TYR R CD1 1 ? ? +21450 ATOM C CD2 . TYR N 27 25 ? 2.782 -97.367 -35.535 1.00 118.57 ? 26 TYR R CD2 1 ? ? +21451 ATOM C CE1 . TYR N 27 25 ? 2.446 -97.407 -38.278 1.00 121.08 ? 26 TYR R CE1 1 ? ? +21452 ATOM C CE2 . TYR N 27 25 ? 3.559 -98.214 -36.319 1.00 119.59 ? 26 TYR R CE2 1 ? ? +21453 ATOM C CZ . TYR N 27 25 ? 3.388 -98.232 -37.691 1.00 120.76 ? 26 TYR R CZ 1 ? ? +21454 ATOM O OH . TYR N 27 25 ? 4.164 -99.065 -38.462 1.00 121.20 ? 26 TYR R OH 1 ? ? +21455 ATOM C C . TYR N 27 25 ? -1.296 -95.008 -34.438 1.00 117.58 ? 26 TYR R C 1 ? ? +21456 ATOM O O . TYR N 27 25 ? -1.205 -94.563 -33.295 1.00 117.12 ? 26 TYR R O 1 ? ? +21457 ATOM N N . ALA N 27 26 ? -2.122 -94.501 -35.363 1.00 117.60 ? 27 ALA R N 1 ? ? +21458 ATOM C CA . ALA N 27 26 ? -3.102 -93.471 -35.061 1.00 116.64 ? 27 ALA R CA 1 ? ? +21459 ATOM C CB . ALA N 27 26 ? -3.710 -92.914 -36.343 1.00 115.84 ? 27 ALA R CB 1 ? ? +21460 ATOM C C . ALA N 27 26 ? -4.200 -93.996 -34.137 1.00 117.96 ? 27 ALA R C 1 ? ? +21461 ATOM O O . ALA N 27 26 ? -4.500 -93.352 -33.135 1.00 117.32 ? 27 ALA R O 1 ? ? +21462 ATOM N N . VAL N 27 27 ? -4.788 -95.161 -34.464 1.00 119.81 ? 28 VAL R N 1 ? ? +21463 ATOM C CA . VAL N 27 27 ? -5.802 -95.765 -33.605 1.00 121.46 ? 28 VAL R CA 1 ? ? +21464 ATOM C CB . VAL N 27 27 ? -6.643 -96.928 -34.241 1.00 120.03 ? 28 VAL R CB 1 ? ? +21465 ATOM C CG1 . VAL N 27 27 ? -7.498 -96.425 -35.405 1.00 118.51 ? 28 VAL R CG1 1 ? ? +21466 ATOM C CG2 . VAL N 27 27 ? -5.774 -98.121 -34.652 1.00 119.84 ? 28 VAL R CG2 1 ? ? +21467 ATOM C C . VAL N 27 27 ? -5.188 -96.229 -32.280 1.00 122.02 ? 28 VAL R C 1 ? ? +21468 ATOM O O . VAL N 27 27 ? -5.914 -96.360 -31.294 1.00 125.53 ? 28 VAL R O 1 ? ? +21469 ATOM N N . LYS N 27 28 ? -3.865 -96.474 -32.262 1.00 117.96 ? 29 LYS R N 1 ? ? +21470 ATOM C CA . LYS N 27 28 ? -3.160 -96.885 -31.054 1.00 116.26 ? 29 LYS R CA 1 ? ? +21471 ATOM C CB . LYS N 27 28 ? -1.925 -97.750 -31.399 1.00 117.62 ? 29 LYS R CB 1 ? ? +21472 ATOM C CG . LYS N 27 28 ? -2.230 -99.054 -32.173 1.00 119.96 ? 29 LYS R CG 1 ? ? +21473 ATOM C CD . LYS N 27 28 ? -2.962 -100.127 -31.384 1.00 121.70 ? 29 LYS R CD 1 ? ? +21474 ATOM C CE . LYS N 27 28 ? -2.112 -100.780 -30.329 1.00 122.14 ? 29 LYS R CE 1 ? ? +21475 ATOM N NZ . LYS N 27 28 ? -2.954 -101.278 -29.212 1.00 123.50 ? 29 LYS R NZ 1 ? ? +21476 ATOM C C . LYS N 27 28 ? -2.714 -95.706 -30.188 1.00 113.32 ? 29 LYS R C 1 ? ? +21477 ATOM O O . LYS N 27 28 ? -2.382 -95.901 -29.022 1.00 112.45 ? 29 LYS R O 1 ? ? +21478 ATOM N N . GLN N 27 29 ? -2.686 -94.496 -30.769 1.00 111.68 ? 30 GLN R N 1 ? ? +21479 ATOM C CA . GLN N 27 29 ? -2.423 -93.270 -30.025 1.00 108.56 ? 30 GLN R CA 1 ? ? +21480 ATOM C CB . GLN N 27 29 ? -1.780 -92.210 -30.933 1.00 104.22 ? 30 GLN R CB 1 ? ? +21481 ATOM C CG . GLN N 27 29 ? -1.212 -91.020 -30.164 1.00 100.98 ? 30 GLN R CG 1 ? ? +21482 ATOM C CD . GLN N 27 29 ? -1.054 -89.801 -31.037 1.00 97.32 ? 30 GLN R CD 1 ? ? +21483 ATOM O OE1 . GLN N 27 29 ? -0.613 -89.882 -32.190 1.00 96.20 ? 30 GLN R OE1 1 ? ? +21484 ATOM N NE2 . GLN N 27 29 ? -1.425 -88.645 -30.516 1.00 94.92 ? 30 GLN R NE2 1 ? ? +21485 ATOM C C . GLN N 27 29 ? -3.697 -92.689 -29.405 1.00 110.77 ? 30 GLN R C 1 ? ? +21486 ATOM O O . GLN N 27 29 ? -3.663 -92.206 -28.274 1.00 109.50 ? 30 GLN R O 1 ? ? +21487 ATOM N N . VAL N 27 30 ? -4.805 -92.711 -30.168 1.00 113.04 ? 31 VAL R N 1 ? ? +21488 ATOM C CA . VAL N 27 30 ? -6.117 -92.335 -29.658 1.00 114.09 ? 31 VAL R CA 1 ? ? +21489 ATOM C CB . VAL N 27 30 ? -7.225 -92.274 -30.770 1.00 115.29 ? 31 VAL R CB 1 ? ? +21490 ATOM C CG1 . VAL N 27 30 ? -7.360 -93.589 -31.527 1.00 116.36 ? 31 VAL R CG1 1 ? ? +21491 ATOM C CG2 . VAL N 27 30 ? -8.583 -91.857 -30.198 1.00 115.31 ? 31 VAL R CG2 1 ? ? +21492 ATOM C C . VAL N 27 30 ? -6.538 -93.252 -28.506 1.00 116.00 ? 31 VAL R C 1 ? ? +21493 ATOM O O . VAL N 27 30 ? -7.084 -92.767 -27.518 1.00 116.91 ? 31 VAL R O 1 ? ? +21494 ATOM N N . GLN N 27 31 ? -6.275 -94.564 -28.623 1.00 116.65 ? 32 GLN R N 1 ? ? +21495 ATOM C CA . GLN N 27 31 ? -6.625 -95.520 -27.576 1.00 118.28 ? 32 GLN R CA 1 ? ? +21496 ATOM C CB . GLN N 27 31 ? -6.380 -96.987 -28.032 1.00 118.86 ? 32 GLN R CB 1 ? ? +21497 ATOM C CG . GLN N 27 31 ? -7.659 -97.709 -28.469 1.00 118.69 ? 32 GLN R CG 1 ? ? +21498 ATOM C CD . GLN N 27 31 ? -7.381 -98.947 -29.279 1.00 119.30 ? 32 GLN R CD 1 ? ? +21499 ATOM O OE1 . GLN N 27 31 ? -6.544 -99.781 -28.925 1.00 119.27 ? 32 GLN R OE1 1 ? ? +21500 ATOM N NE2 . GLN N 27 31 ? -8.077 -99.090 -30.394 1.00 119.90 ? 32 GLN R NE2 1 ? ? +21501 ATOM C C . GLN N 27 31 ? -5.888 -95.256 -26.261 1.00 116.76 ? 32 GLN R C 1 ? ? +21502 ATOM O O . GLN N 27 31 ? -6.507 -95.213 -25.199 1.00 117.03 ? 32 GLN R O 1 ? ? +21503 ATOM N N . LYS N 27 32 ? -4.564 -95.087 -26.346 1.00 115.42 ? 33 LYS R N 1 ? ? +21504 ATOM C CA . LYS N 27 32 ? -3.735 -94.721 -25.204 1.00 114.17 ? 33 LYS R CA 1 ? ? +21505 ATOM C CB . LYS N 27 32 ? -2.285 -94.507 -25.677 1.00 113.31 ? 33 LYS R CB 1 ? ? +21506 ATOM C CG . LYS N 27 32 ? -1.339 -95.666 -25.379 1.00 114.02 ? 33 LYS R CG 1 ? ? +21507 ATOM C CD . LYS N 27 32 ? -0.447 -96.040 -26.570 1.00 113.78 ? 33 LYS R CD 1 ? ? +21508 ATOM C CE . LYS N 27 32 ? 1.002 -96.177 -26.205 1.00 112.76 ? 33 LYS R CE 1 ? ? +21509 ATOM N NZ . LYS N 27 32 ? 1.644 -94.843 -26.169 1.00 111.73 ? 33 LYS R NZ 1 ? ? +21510 ATOM C C . LYS N 27 32 ? -4.173 -93.470 -24.443 1.00 112.34 ? 33 LYS R C 1 ? ? +21511 ATOM O O . LYS N 27 32 ? -3.863 -93.334 -23.261 1.00 109.77 ? 33 LYS R O 1 ? ? +21512 ATOM N N . LEU N 27 33 ? -4.866 -92.550 -25.129 1.00 112.31 ? 34 LEU R N 1 ? ? +21513 ATOM C CA . LEU N 27 33 ? -5.348 -91.324 -24.510 1.00 111.74 ? 34 LEU R CA 1 ? ? +21514 ATOM C CB . LEU N 27 33 ? -5.220 -90.173 -25.535 1.00 108.08 ? 34 LEU R CB 1 ? ? +21515 ATOM C CG . LEU N 27 33 ? -5.437 -88.761 -25.009 1.00 105.61 ? 34 LEU R CG 1 ? ? +21516 ATOM C CD1 . LEU N 27 33 ? -4.546 -88.470 -23.810 1.00 105.38 ? 34 LEU R CD1 1 ? ? +21517 ATOM C CD2 . LEU N 27 33 ? -5.194 -87.753 -26.093 1.00 103.78 ? 34 LEU R CD2 1 ? ? +21518 ATOM C C . LEU N 27 33 ? -6.790 -91.453 -24.010 1.00 115.56 ? 34 LEU R C 1 ? ? +21519 ATOM O O . LEU N 27 33 ? -7.493 -90.456 -23.857 1.00 116.47 ? 34 LEU R O 1 ? ? +21520 ATOM N N . LEU N 27 34 ? -7.222 -92.691 -23.732 1.00 118.73 ? 35 LEU R N 1 ? ? +21521 ATOM C CA . LEU N 27 34 ? -8.576 -92.954 -23.269 1.00 120.68 ? 35 LEU R CA 1 ? ? +21522 ATOM C CB . LEU N 27 34 ? -9.451 -93.477 -24.441 1.00 121.09 ? 35 LEU R CB 1 ? ? +21523 ATOM C CG . LEU N 27 34 ? -9.626 -92.517 -25.646 1.00 119.53 ? 35 LEU R CG 1 ? ? +21524 ATOM C CD1 . LEU N 27 34 ? -10.248 -93.234 -26.850 1.00 119.38 ? 35 LEU R CD1 1 ? ? +21525 ATOM C CD2 . LEU N 27 34 ? -10.456 -91.303 -25.281 1.00 117.49 ? 35 LEU R CD2 1 ? ? +21526 ATOM C C . LEU N 27 34 ? -8.532 -93.960 -22.109 1.00 121.78 ? 35 LEU R C 1 ? ? +21527 ATOM O O . LEU N 27 34 ? -7.455 -94.416 -21.717 1.00 121.58 ? 35 LEU R O 1 ? ? +21528 ATOM O OXT . LEU N 27 34 ? -9.571 -94.297 -21.551 1.00 123.10 ? 35 LEU R OXT 1 ? ? +21529 HETATM N N . FME O 14 1 ? 22.072 -13.377 -33.475 1.00 53.42 ? 1 FME T N 1 ? ? +21530 HETATM C CN . FME O 14 1 ? 23.273 -13.672 -33.908 1.00 53.13 ? 1 FME T CN 1 ? ? +21531 HETATM O O1 . FME O 14 1 ? 24.026 -14.477 -33.372 1.00 52.96 ? 1 FME T O1 1 ? ? +21532 HETATM C CA . FME O 14 1 ? 21.519 -13.908 -32.240 1.00 53.32 ? 1 FME T CA 1 ? ? +21533 HETATM C CB . FME O 14 1 ? 20.251 -13.114 -31.886 1.00 53.91 ? 1 FME T CB 1 ? ? +21534 HETATM C CG . FME O 14 1 ? 19.066 -13.955 -31.504 1.00 56.02 ? 1 FME T CG 1 ? ? +21535 HETATM S SD . FME O 14 1 ? 17.507 -13.152 -31.971 1.00 58.27 ? 1 FME T SD 1 ? ? +21536 HETATM C CE . FME O 14 1 ? 17.736 -11.581 -31.136 1.00 57.42 ? 1 FME T CE 1 ? ? +21537 HETATM C C . FME O 14 1 ? 21.284 -15.429 -32.336 1.00 51.29 ? 1 FME T C 1 ? ? +21538 HETATM O O . FME O 14 1 ? 21.745 -16.157 -31.420 1.00 51.79 ? 1 FME T O 1 ? ? +21539 ATOM N N . GLU O 14 2 ? 21.138 -15.822 -33.596 1.00 48.41 ? 2 GLU T N 1 ? ? +21540 ATOM C CA . GLU O 14 2 ? 20.962 -17.272 -33.633 1.00 47.58 ? 2 GLU T CA 1 ? ? +21541 ATOM C CB . GLU O 14 2 ? 19.960 -17.672 -34.734 1.00 48.68 ? 2 GLU T CB 1 ? ? +21542 ATOM C CG . GLU O 14 2 ? 20.325 -17.332 -36.154 1.00 50.20 ? 2 GLU T CG 1 ? ? +21543 ATOM C CD . GLU O 14 2 ? 20.258 -15.883 -36.580 1.00 52.25 ? 2 GLU T CD 1 ? ? +21544 ATOM O OE1 . GLU O 14 2 ? 20.150 -14.997 -35.704 1.00 53.86 ? 2 GLU T OE1 1 ? ? +21545 ATOM O OE2 . GLU O 14 2 ? 20.343 -15.630 -37.805 1.00 54.09 ? 2 GLU T OE2 1 ? ? +21546 ATOM C C . GLU O 14 2 ? 22.314 -17.984 -33.740 1.00 45.97 ? 2 GLU T C 1 ? ? +21547 ATOM O O . GLU O 14 2 ? 22.516 -19.023 -33.116 1.00 45.08 ? 2 GLU T O 1 ? ? +21548 ATOM N N . THR O 14 3 ? 23.264 -17.404 -34.481 1.00 45.29 ? 3 THR T N 1 ? ? +21549 ATOM C CA . THR O 14 3 ? 24.618 -17.945 -34.508 1.00 44.79 ? 3 THR T CA 1 ? ? +21550 ATOM C CB . THR O 14 3 ? 25.541 -17.108 -35.366 1.00 45.08 ? 3 THR T CB 1 ? ? +21551 ATOM O OG1 . THR O 14 3 ? 25.010 -17.011 -36.666 1.00 45.04 ? 3 THR T OG1 1 ? ? +21552 ATOM C CG2 . THR O 14 3 ? 26.955 -17.696 -35.461 1.00 45.40 ? 3 THR T CG2 1 ? ? +21553 ATOM C C . THR O 14 3 ? 25.150 -18.070 -33.085 1.00 44.26 ? 3 THR T C 1 ? ? +21554 ATOM O O . THR O 14 3 ? 25.658 -19.119 -32.707 1.00 44.15 ? 3 THR T O 1 ? ? +21555 ATOM N N . ILE O 14 4 ? 24.988 -17.009 -32.290 1.00 43.89 ? 4 ILE T N 1 ? ? +21556 ATOM C CA . ILE O 14 4 ? 25.475 -17.009 -30.922 1.00 43.77 ? 4 ILE T CA 1 ? ? +21557 ATOM C CB . ILE O 14 4 ? 25.201 -15.658 -30.213 1.00 43.99 ? 4 ILE T CB 1 ? ? +21558 ATOM C CG1 . ILE O 14 4 ? 25.990 -14.516 -30.856 1.00 44.29 ? 4 ILE T CG1 1 ? ? +21559 ATOM C CG2 . ILE O 14 4 ? 25.524 -15.756 -28.703 1.00 44.16 ? 4 ILE T CG2 1 ? ? +21560 ATOM C CD1 . ILE O 14 4 ? 25.488 -13.131 -30.489 1.00 44.27 ? 4 ILE T CD1 1 ? ? +21561 ATOM C C . ILE O 14 4 ? 24.853 -18.165 -30.149 1.00 43.26 ? 4 ILE T C 1 ? ? +21562 ATOM O O . ILE O 14 4 ? 25.561 -18.902 -29.458 1.00 43.32 ? 4 ILE T O 1 ? ? +21563 ATOM N N . THR O 14 5 ? 23.522 -18.295 -30.252 1.00 42.50 ? 5 THR T N 1 ? ? +21564 ATOM C CA . THR O 14 5 ? 22.830 -19.377 -29.586 1.00 42.07 ? 5 THR T CA 1 ? ? +21565 ATOM C CB . THR O 14 5 ? 21.304 -19.394 -29.931 1.00 41.75 ? 5 THR T CB 1 ? ? +21566 ATOM O OG1 . THR O 14 5 ? 20.748 -18.115 -29.621 1.00 41.63 ? 5 THR T OG1 1 ? ? +21567 ATOM C CG2 . THR O 14 5 ? 20.596 -20.491 -29.212 1.00 41.61 ? 5 THR T CG2 1 ? ? +21568 ATOM C C . THR O 14 5 ? 23.431 -20.729 -29.951 1.00 41.98 ? 5 THR T C 1 ? ? +21569 ATOM O O . THR O 14 5 ? 23.725 -21.524 -29.069 1.00 41.98 ? 5 THR T O 1 ? ? +21570 ATOM N N . TYR O 14 6 ? 23.553 -21.004 -31.256 1.00 41.91 ? 6 TYR T N 1 ? ? +21571 ATOM C CA . TYR O 14 6 ? 24.044 -22.296 -31.707 1.00 42.09 ? 6 TYR T CA 1 ? ? +21572 ATOM C CB . TYR O 14 6 ? 24.075 -22.415 -33.244 1.00 42.09 ? 6 TYR T CB 1 ? ? +21573 ATOM C CG . TYR O 14 6 ? 22.763 -22.179 -33.950 1.00 41.98 ? 6 TYR T CG 1 ? ? +21574 ATOM C CD1 . TYR O 14 6 ? 21.577 -22.714 -33.463 1.00 41.85 ? 6 TYR T CD1 1 ? ? +21575 ATOM C CD2 . TYR O 14 6 ? 22.712 -21.472 -35.138 1.00 41.99 ? 6 TYR T CD2 1 ? ? +21576 ATOM C CE1 . TYR O 14 6 ? 20.374 -22.517 -34.127 1.00 41.74 ? 6 TYR T CE1 1 ? ? +21577 ATOM C CE2 . TYR O 14 6 ? 21.518 -21.268 -35.808 1.00 41.77 ? 6 TYR T CE2 1 ? ? +21578 ATOM C CZ . TYR O 14 6 ? 20.348 -21.784 -35.294 1.00 41.74 ? 6 TYR T CZ 1 ? ? +21579 ATOM O OH . TYR O 14 6 ? 19.153 -21.545 -35.944 1.00 41.78 ? 6 TYR T OH 1 ? ? +21580 ATOM C C . TYR O 14 6 ? 25.457 -22.577 -31.186 1.00 42.48 ? 6 TYR T C 1 ? ? +21581 ATOM O O . TYR O 14 6 ? 25.743 -23.698 -30.782 1.00 42.47 ? 6 TYR T O 1 ? ? +21582 ATOM N N . VAL O 14 7 ? 26.330 -21.562 -31.199 1.00 42.76 ? 7 VAL T N 1 ? ? +21583 ATOM C CA . VAL O 14 7 ? 27.703 -21.755 -30.759 1.00 43.41 ? 7 VAL T CA 1 ? ? +21584 ATOM C CB . VAL O 14 7 ? 28.656 -20.604 -31.202 1.00 43.54 ? 7 VAL T CB 1 ? ? +21585 ATOM C CG1 . VAL O 14 7 ? 30.071 -20.830 -30.691 1.00 43.96 ? 7 VAL T CG1 1 ? ? +21586 ATOM C CG2 . VAL O 14 7 ? 28.654 -20.440 -32.707 1.00 43.49 ? 7 VAL T CG2 1 ? ? +21587 ATOM C C . VAL O 14 7 ? 27.727 -21.926 -29.245 1.00 43.84 ? 7 VAL T C 1 ? ? +21588 ATOM O O . VAL O 14 7 ? 28.497 -22.723 -28.717 1.00 44.36 ? 7 VAL T O 1 ? ? +21589 ATOM N N . PHE O 14 8 ? 26.881 -21.169 -28.544 1.00 43.98 ? 8 PHE T N 1 ? ? +21590 ATOM C CA . PHE O 14 8 ? 26.802 -21.266 -27.098 1.00 44.25 ? 8 PHE T CA 1 ? ? +21591 ATOM C CB . PHE O 14 8 ? 25.725 -20.320 -26.560 1.00 44.42 ? 8 PHE T CB 1 ? ? +21592 ATOM C CG . PHE O 14 8 ? 25.457 -20.503 -25.096 1.00 44.82 ? 8 PHE T CG 1 ? ? +21593 ATOM C CD1 . PHE O 14 8 ? 26.405 -20.154 -24.155 1.00 45.22 ? 8 PHE T CD1 1 ? ? +21594 ATOM C CD2 . PHE O 14 8 ? 24.263 -21.048 -24.660 1.00 44.88 ? 8 PHE T CD2 1 ? ? +21595 ATOM C CE1 . PHE O 14 8 ? 26.164 -20.335 -22.802 1.00 45.49 ? 8 PHE T CE1 1 ? ? +21596 ATOM C CE2 . PHE O 14 8 ? 24.020 -21.225 -23.298 1.00 45.14 ? 8 PHE T CE2 1 ? ? +21597 ATOM C CZ . PHE O 14 8 ? 24.971 -20.864 -22.377 1.00 45.40 ? 8 PHE T CZ 1 ? ? +21598 ATOM C C . PHE O 14 8 ? 26.501 -22.690 -26.649 1.00 44.15 ? 8 PHE T C 1 ? ? +21599 ATOM O O . PHE O 14 8 ? 27.207 -23.233 -25.801 1.00 44.40 ? 8 PHE T O 1 ? ? +21600 ATOM N N . ILE O 14 9 ? 25.459 -23.291 -27.236 1.00 43.71 ? 9 ILE T N 1 ? ? +21601 ATOM C CA . ILE O 14 9 ? 25.059 -24.636 -26.868 1.00 43.60 ? 9 ILE T CA 1 ? ? +21602 ATOM C CB . ILE O 14 9 ? 23.742 -25.033 -27.594 1.00 43.28 ? 9 ILE T CB 1 ? ? +21603 ATOM C CG1 . ILE O 14 9 ? 22.598 -24.108 -27.194 1.00 43.11 ? 9 ILE T CG1 1 ? ? +21604 ATOM C CG2 . ILE O 14 9 ? 23.413 -26.476 -27.307 1.00 43.31 ? 9 ILE T CG2 1 ? ? +21605 ATOM C CD1 . ILE O 14 9 ? 21.323 -24.254 -28.022 1.00 42.98 ? 9 ILE T CD1 1 ? ? +21606 ATOM C C . ILE O 14 9 ? 26.176 -25.645 -27.139 1.00 43.79 ? 9 ILE T C 1 ? ? +21607 ATOM O O . ILE O 14 9 ? 26.492 -26.480 -26.303 1.00 43.87 ? 9 ILE T O 1 ? ? +21608 ATOM N N . PHE O 14 10 ? 26.749 -25.585 -28.336 1.00 43.96 ? 10 PHE T N 1 ? ? +21609 ATOM C CA . PHE O 14 10 ? 27.900 -26.401 -28.678 1.00 44.41 ? 10 PHE T CA 1 ? ? +21610 ATOM C CB . PHE O 14 10 ? 28.393 -25.959 -30.048 1.00 44.53 ? 10 PHE T CB 1 ? ? +21611 ATOM C CG . PHE O 14 10 ? 29.600 -26.708 -30.508 1.00 45.04 ? 10 PHE T CG 1 ? ? +21612 ATOM C CD1 . PHE O 14 10 ? 29.495 -28.014 -30.940 1.00 45.22 ? 10 PHE T CD1 1 ? ? +21613 ATOM C CD2 . PHE O 14 10 ? 30.860 -26.115 -30.484 1.00 45.30 ? 10 PHE T CD2 1 ? ? +21614 ATOM C CE1 . PHE O 14 10 ? 30.632 -28.722 -31.330 1.00 45.49 ? 10 PHE T CE1 1 ? ? +21615 ATOM C CE2 . PHE O 14 10 ? 31.971 -26.813 -30.900 1.00 45.64 ? 10 PHE T CE2 1 ? ? +21616 ATOM C CZ . PHE O 14 10 ? 31.848 -28.110 -31.330 1.00 45.69 ? 10 PHE T CZ 1 ? ? +21617 ATOM C C . PHE O 14 10 ? 29.012 -26.302 -27.629 1.00 44.72 ? 10 PHE T C 1 ? ? +21618 ATOM O O . PHE O 14 10 ? 29.523 -27.302 -27.145 1.00 44.78 ? 10 PHE T O 1 ? ? +21619 ATOM N N . ALA O 14 11 ? 29.348 -25.077 -27.237 1.00 45.02 ? 11 ALA T N 1 ? ? +21620 ATOM C CA . ALA O 14 11 ? 30.416 -24.837 -26.280 1.00 45.51 ? 11 ALA T CA 1 ? ? +21621 ATOM C CB . ALA O 14 11 ? 30.628 -23.345 -26.132 1.00 45.49 ? 11 ALA T CB 1 ? ? +21622 ATOM C C . ALA O 14 11 ? 30.130 -25.464 -24.920 1.00 45.90 ? 11 ALA T C 1 ? ? +21623 ATOM O O . ALA O 14 11 ? 31.030 -25.993 -24.268 1.00 45.99 ? 11 ALA T O 1 ? ? +21624 ATOM N N . CYS O 14 12 ? 28.864 -25.387 -24.492 1.00 46.11 ? 12 CYS T N 1 ? ? +21625 ATOM C CA . CYS O 14 12 ? 28.429 -26.030 -23.261 1.00 46.56 ? 12 CYS T CA 1 ? ? +21626 ATOM C CB . CYS O 14 12 ? 26.971 -25.685 -22.955 1.00 46.79 ? 12 CYS T CB 1 ? ? +21627 ATOM S SG . CYS O 14 12 ? 26.731 -23.964 -22.473 1.00 47.60 ? 12 CYS T SG 1 ? ? +21628 ATOM C C . CYS O 14 12 ? 28.632 -27.541 -23.308 1.00 46.44 ? 12 CYS T C 1 ? ? +21629 ATOM O O . CYS O 14 12 ? 29.048 -28.143 -22.324 1.00 46.92 ? 12 CYS T O 1 ? ? +21630 ATOM N N . ILE O 14 13 ? 28.331 -28.143 -24.461 1.00 46.04 ? 13 ILE T N 1 ? ? +21631 ATOM C CA . ILE O 14 13 ? 28.507 -29.573 -24.646 1.00 46.01 ? 13 ILE T CA 1 ? ? +21632 ATOM C CB . ILE O 14 13 ? 27.863 -30.032 -25.967 1.00 45.74 ? 13 ILE T CB 1 ? ? +21633 ATOM C CG1 . ILE O 14 13 ? 26.325 -29.812 -25.899 1.00 45.63 ? 13 ILE T CG1 1 ? ? +21634 ATOM C CG2 . ILE O 14 13 ? 28.188 -31.464 -26.275 1.00 45.98 ? 13 ILE T CG2 1 ? ? +21635 ATOM C CD1 . ILE O 14 13 ? 25.515 -30.188 -27.150 1.00 45.38 ? 13 ILE T CD1 1 ? ? +21636 ATOM C C . ILE O 14 13 ? 29.985 -29.950 -24.527 1.00 46.24 ? 13 ILE T C 1 ? ? +21637 ATOM O O . ILE O 14 13 ? 30.310 -30.910 -23.842 1.00 46.36 ? 13 ILE T O 1 ? ? +21638 ATOM N N . ILE O 14 14 ? 30.880 -29.201 -25.181 1.00 46.38 ? 14 ILE T N 1 ? ? +21639 ATOM C CA . ILE O 14 14 ? 32.308 -29.491 -25.087 1.00 46.88 ? 14 ILE T CA 1 ? ? +21640 ATOM C CB . ILE O 14 14 ? 33.192 -28.589 -25.970 1.00 47.19 ? 14 ILE T CB 1 ? ? +21641 ATOM C CG1 . ILE O 14 14 ? 32.777 -28.646 -27.432 1.00 47.04 ? 14 ILE T CG1 1 ? ? +21642 ATOM C CG2 . ILE O 14 14 ? 34.680 -28.964 -25.822 1.00 47.88 ? 14 ILE T CG2 1 ? ? +21643 ATOM C CD1 . ILE O 14 14 ? 32.635 -30.049 -27.974 1.00 47.18 ? 14 ILE T CD1 1 ? ? +21644 ATOM C C . ILE O 14 14 ? 32.746 -29.407 -23.628 1.00 46.99 ? 14 ILE T C 1 ? ? +21645 ATOM O O . ILE O 14 14 ? 33.437 -30.289 -23.144 1.00 47.24 ? 14 ILE T O 1 ? ? +21646 ATOM N N . ALA O 14 15 ? 32.297 -28.366 -22.921 1.00 46.90 ? 15 ALA T N 1 ? ? +21647 ATOM C CA . ALA O 14 15 ? 32.576 -28.240 -21.499 1.00 47.06 ? 15 ALA T CA 1 ? ? +21648 ATOM C CB . ALA O 14 15 ? 31.960 -26.961 -20.955 1.00 47.01 ? 15 ALA T CB 1 ? ? +21649 ATOM C C . ALA O 14 15 ? 32.073 -29.437 -20.698 1.00 46.98 ? 15 ALA T C 1 ? ? +21650 ATOM O O . ALA O 14 15 ? 32.782 -29.941 -19.842 1.00 47.27 ? 15 ALA T O 1 ? ? +21651 ATOM N N . LEU O 14 16 ? 30.837 -29.875 -20.968 1.00 46.64 ? 16 LEU T N 1 ? ? +21652 ATOM C CA . LEU O 14 16 ? 30.268 -31.033 -20.299 1.00 46.65 ? 16 LEU T CA 1 ? ? +21653 ATOM C CB . LEU O 14 16 ? 28.831 -31.303 -20.816 1.00 46.28 ? 16 LEU T CB 1 ? ? +21654 ATOM C CG . LEU O 14 16 ? 28.158 -32.534 -20.266 1.00 46.53 ? 16 LEU T CG 1 ? ? +21655 ATOM C CD1 . LEU O 14 16 ? 28.092 -32.515 -18.774 1.00 46.88 ? 16 LEU T CD1 1 ? ? +21656 ATOM C CD2 . LEU O 14 16 ? 26.678 -32.672 -20.768 1.00 46.41 ? 16 LEU T CD2 1 ? ? +21657 ATOM C C . LEU O 14 16 ? 31.139 -32.275 -20.481 1.00 46.82 ? 16 LEU T C 1 ? ? +21658 ATOM O O . LEU O 14 16 ? 31.312 -33.039 -19.539 1.00 47.13 ? 16 LEU T O 1 ? ? +21659 ATOM N N . PHE O 14 17 ? 31.663 -32.489 -21.691 1.00 46.77 ? 17 PHE T N 1 ? ? +21660 ATOM C CA . PHE O 14 17 ? 32.581 -33.595 -21.931 1.00 47.33 ? 17 PHE T CA 1 ? ? +21661 ATOM C CB . PHE O 14 17 ? 33.145 -33.590 -23.365 1.00 47.33 ? 17 PHE T CB 1 ? ? +21662 ATOM C CG . PHE O 14 17 ? 32.197 -33.830 -24.505 1.00 47.08 ? 17 PHE T CG 1 ? ? +21663 ATOM C CD1 . PHE O 14 17 ? 30.864 -34.189 -24.271 1.00 46.93 ? 17 PHE T CD1 1 ? ? +21664 ATOM C CD2 . PHE O 14 17 ? 32.621 -33.698 -25.815 1.00 46.99 ? 17 PHE T CD2 1 ? ? +21665 ATOM C CE1 . PHE O 14 17 ? 29.986 -34.400 -25.335 1.00 46.55 ? 17 PHE T CE1 1 ? ? +21666 ATOM C CE2 . PHE O 14 17 ? 31.736 -33.911 -26.871 1.00 46.81 ? 17 PHE T CE2 1 ? ? +21667 ATOM C CZ . PHE O 14 17 ? 30.424 -34.258 -26.624 1.00 46.51 ? 17 PHE T CZ 1 ? ? +21668 ATOM C C . PHE O 14 17 ? 33.771 -33.543 -20.971 1.00 47.89 ? 17 PHE T C 1 ? ? +21669 ATOM O O . PHE O 14 17 ? 34.185 -34.561 -20.433 1.00 48.09 ? 17 PHE T O 1 ? ? +21670 ATOM N N . PHE O 14 18 ? 34.299 -32.335 -20.764 1.00 48.17 ? 18 PHE T N 1 ? ? +21671 ATOM C CA . PHE O 14 18 ? 35.427 -32.116 -19.880 1.00 48.92 ? 18 PHE T CA 1 ? ? +21672 ATOM C CB . PHE O 14 18 ? 35.787 -30.633 -19.817 1.00 48.81 ? 18 PHE T CB 1 ? ? +21673 ATOM C CG . PHE O 14 18 ? 36.970 -30.363 -18.928 1.00 49.47 ? 18 PHE T CG 1 ? ? +21674 ATOM C CD1 . PHE O 14 18 ? 38.255 -30.643 -19.357 1.00 49.85 ? 18 PHE T CD1 1 ? ? +21675 ATOM C CD2 . PHE O 14 18 ? 36.793 -29.859 -17.653 1.00 49.59 ? 18 PHE T CD2 1 ? ? +21676 ATOM C CE1 . PHE O 14 18 ? 39.338 -30.392 -18.537 1.00 50.49 ? 18 PHE T CE1 1 ? ? +21677 ATOM C CE2 . PHE O 14 18 ? 37.876 -29.636 -16.828 1.00 50.19 ? 18 PHE T CE2 1 ? ? +21678 ATOM C CZ . PHE O 14 18 ? 39.144 -29.889 -17.273 1.00 50.62 ? 18 PHE T CZ 1 ? ? +21679 ATOM C C . PHE O 14 18 ? 35.148 -32.633 -18.472 1.00 49.48 ? 18 PHE T C 1 ? ? +21680 ATOM O O . PHE O 14 18 ? 35.937 -33.402 -17.917 1.00 49.87 ? 18 PHE T O 1 ? ? +21681 ATOM N N . PHE O 14 19 ? 34.019 -32.193 -17.903 1.00 49.47 ? 19 PHE T N 1 ? ? +21682 ATOM C CA . PHE O 14 19 ? 33.670 -32.558 -16.544 1.00 50.01 ? 19 PHE T CA 1 ? ? +21683 ATOM C CB . PHE O 14 19 ? 32.526 -31.683 -16.039 1.00 50.16 ? 19 PHE T CB 1 ? ? +21684 ATOM C CG . PHE O 14 19 ? 32.986 -30.272 -15.819 1.00 50.71 ? 19 PHE T CG 1 ? ? +21685 ATOM C CD1 . PHE O 14 19 ? 33.737 -29.937 -14.707 1.00 51.74 ? 19 PHE T CD1 1 ? ? +21686 ATOM C CD2 . PHE O 14 19 ? 32.756 -29.299 -16.769 1.00 50.69 ? 19 PHE T CD2 1 ? ? +21687 ATOM C CE1 . PHE O 14 19 ? 34.194 -28.638 -14.525 1.00 51.95 ? 19 PHE T CE1 1 ? ? +21688 ATOM C CE2 . PHE O 14 19 ? 33.206 -28.006 -16.586 1.00 50.88 ? 19 PHE T CE2 1 ? ? +21689 ATOM C CZ . PHE O 14 19 ? 33.920 -27.679 -15.468 1.00 51.55 ? 19 PHE T CZ 1 ? ? +21690 ATOM C C . PHE O 14 19 ? 33.317 -34.036 -16.454 1.00 50.07 ? 19 PHE T C 1 ? ? +21691 ATOM O O . PHE O 14 19 ? 33.617 -34.684 -15.448 1.00 50.34 ? 19 PHE T O 1 ? ? +21692 ATOM N N . ALA O 14 20 ? 32.689 -34.556 -17.515 1.00 49.68 ? 20 ALA T N 1 ? ? +21693 ATOM C CA . ALA O 14 20 ? 32.235 -35.935 -17.525 1.00 49.81 ? 20 ALA T CA 1 ? ? +21694 ATOM C CB . ALA O 14 20 ? 31.305 -36.183 -18.702 1.00 49.42 ? 20 ALA T CB 1 ? ? +21695 ATOM C C . ALA O 14 20 ? 33.407 -36.908 -17.564 1.00 50.35 ? 20 ALA T C 1 ? ? +21696 ATOM O O . ALA O 14 20 ? 33.307 -38.011 -17.046 1.00 50.82 ? 20 ALA T O 1 ? ? +21697 ATOM N N . ILE O 14 21 ? 34.517 -36.501 -18.172 1.00 50.59 ? 21 ILE T N 1 ? ? +21698 ATOM C CA . ILE O 14 21 ? 35.687 -37.357 -18.225 1.00 51.21 ? 21 ILE T CA 1 ? ? +21699 ATOM C CB . ILE O 14 21 ? 36.481 -37.095 -19.524 1.00 51.36 ? 21 ILE T CB 1 ? ? +21700 ATOM C CG1 . ILE O 14 21 ? 35.691 -37.684 -20.702 1.00 51.23 ? 21 ILE T CG1 1 ? ? +21701 ATOM C CG2 . ILE O 14 21 ? 37.892 -37.646 -19.478 1.00 51.77 ? 21 ILE T CG2 1 ? ? +21702 ATOM C CD1 . ILE O 14 21 ? 36.144 -37.226 -22.044 1.00 51.22 ? 21 ILE T CD1 1 ? ? +21703 ATOM C C . ILE O 14 21 ? 36.523 -37.196 -16.963 1.00 51.65 ? 21 ILE T C 1 ? ? +21704 ATOM O O . ILE O 14 21 ? 36.794 -38.175 -16.280 1.00 52.15 ? 21 ILE T O 1 ? ? +21705 ATOM N N . PHE O 14 22 ? 36.903 -35.961 -16.637 1.00 51.73 ? 22 PHE T N 1 ? ? +21706 ATOM C CA . PHE O 14 22 ? 37.892 -35.728 -15.597 1.00 52.09 ? 22 PHE T CA 1 ? ? +21707 ATOM C CB . PHE O 14 22 ? 38.727 -34.498 -15.949 1.00 51.97 ? 22 PHE T CB 1 ? ? +21708 ATOM C CG . PHE O 14 22 ? 39.538 -34.692 -17.197 1.00 52.08 ? 22 PHE T CG 1 ? ? +21709 ATOM C CD1 . PHE O 14 22 ? 40.659 -35.506 -17.196 1.00 52.65 ? 22 PHE T CD1 1 ? ? +21710 ATOM C CD2 . PHE O 14 22 ? 39.170 -34.086 -18.380 1.00 51.73 ? 22 PHE T CD2 1 ? ? +21711 ATOM C CE1 . PHE O 14 22 ? 41.404 -35.696 -18.355 1.00 52.76 ? 22 PHE T CE1 1 ? ? +21712 ATOM C CE2 . PHE O 14 22 ? 39.923 -34.274 -19.538 1.00 51.98 ? 22 PHE T CE2 1 ? ? +21713 ATOM C CZ . PHE O 14 22 ? 41.039 -35.076 -19.517 1.00 52.38 ? 22 PHE T CZ 1 ? ? +21714 ATOM C C . PHE O 14 22 ? 37.285 -35.580 -14.206 1.00 52.33 ? 22 PHE T C 1 ? ? +21715 ATOM O O . PHE O 14 22 ? 37.955 -35.827 -13.216 1.00 52.42 ? 22 PHE T O 1 ? ? +21716 ATOM N N . PHE O 14 23 ? 36.018 -35.169 -14.121 1.00 52.48 ? 23 PHE T N 1 ? ? +21717 ATOM C CA . PHE O 14 23 ? 35.369 -35.047 -12.825 1.00 53.21 ? 23 PHE T CA 1 ? ? +21718 ATOM C CB . PHE O 14 23 ? 34.996 -33.571 -12.548 1.00 53.54 ? 23 PHE T CB 1 ? ? +21719 ATOM C CG . PHE O 14 23 ? 36.219 -32.695 -12.397 1.00 54.57 ? 23 PHE T CG 1 ? ? +21720 ATOM C CD1 . PHE O 14 23 ? 37.039 -32.801 -11.282 1.00 55.90 ? 23 PHE T CD1 1 ? ? +21721 ATOM C CD2 . PHE O 14 23 ? 36.590 -31.812 -13.395 1.00 54.70 ? 23 PHE T CD2 1 ? ? +21722 ATOM C CE1 . PHE O 14 23 ? 38.198 -32.022 -11.166 1.00 56.03 ? 23 PHE T CE1 1 ? ? +21723 ATOM C CE2 . PHE O 14 23 ? 37.738 -31.030 -13.266 1.00 54.97 ? 23 PHE T CE2 1 ? ? +21724 ATOM C CZ . PHE O 14 23 ? 38.523 -31.138 -12.153 1.00 55.68 ? 23 PHE T CZ 1 ? ? +21725 ATOM C C . PHE O 14 23 ? 34.181 -35.998 -12.717 1.00 52.95 ? 23 PHE T C 1 ? ? +21726 ATOM O O . PHE O 14 23 ? 33.126 -35.622 -12.230 1.00 52.55 ? 23 PHE T O 1 ? ? +21727 ATOM N N A ARG O 14 24 ? 34.378 -37.241 -13.169 0.40 53.22 ? 24 ARG T N 1 ? ? +21728 ATOM N N B ARG O 14 24 ? 34.391 -37.233 -13.179 0.60 53.34 ? 24 ARG T N 1 ? ? +21729 ATOM C CA A ARG O 14 24 ? 33.373 -38.287 -13.051 0.40 53.32 ? 24 ARG T CA 1 ? ? +21730 ATOM C CA B ARG O 14 24 ? 33.405 -38.288 -13.066 0.60 53.58 ? 24 ARG T CA 1 ? ? +21731 ATOM C C A ARG O 14 24 ? 33.342 -38.866 -11.637 0.40 54.21 ? 24 ARG T C 1 ? ? +21732 ATOM C C B ARG O 14 24 ? 33.409 -38.851 -11.650 0.60 54.70 ? 24 ARG T C 1 ? ? +21733 ATOM O O A ARG O 14 24 ? 34.296 -38.696 -10.886 0.40 54.64 ? 24 ARG T O 1 ? ? +21734 ATOM O O B ARG O 14 24 ? 34.382 -38.701 -10.922 0.60 55.18 ? 24 ARG T O 1 ? ? +21735 ATOM C CB A ARG O 14 24 ? 33.672 -39.407 -14.052 0.40 53.21 ? 24 ARG T CB 1 ? ? +21736 ATOM C CB B ARG O 14 24 ? 33.697 -39.415 -14.060 0.60 53.40 ? 24 ARG T CB 1 ? ? +21737 ATOM C CG A ARG O 14 24 ? 34.941 -40.151 -13.760 0.40 53.68 ? 24 ARG T CG 1 ? ? +21738 ATOM C CG B ARG O 14 24 ? 34.948 -40.186 -13.770 0.60 53.84 ? 24 ARG T CG 1 ? ? +21739 ATOM C CD A ARG O 14 24 ? 35.085 -41.371 -14.631 0.40 53.75 ? 24 ARG T CD 1 ? ? +21740 ATOM C CD B ARG O 14 24 ? 35.089 -41.387 -14.664 0.60 53.90 ? 24 ARG T CD 1 ? ? +21741 ATOM N NE A ARG O 14 24 ? 36.323 -42.080 -14.336 0.40 54.38 ? 24 ARG T NE 1 ? ? +21742 ATOM N NE B ARG O 14 24 ? 36.294 -42.137 -14.331 0.60 54.54 ? 24 ARG T NE 1 ? ? +21743 ATOM C CZ A ARG O 14 24 ? 36.683 -43.232 -14.883 0.40 54.59 ? 24 ARG T CZ 1 ? ? +21744 ATOM C CZ B ARG O 14 24 ? 36.664 -43.276 -14.898 0.60 54.75 ? 24 ARG T CZ 1 ? ? +21745 ATOM N NH1 A ARG O 14 24 ? 35.871 -43.905 -15.680 0.40 54.31 ? 24 ARG T NH1 1 ? ? +21746 ATOM N NH1 B ARG O 14 24 ? 35.951 -43.838 -15.860 0.60 54.43 ? 24 ARG T NH1 1 ? ? +21747 ATOM N NH2 A ARG O 14 24 ? 37.890 -43.723 -14.620 0.40 55.23 ? 24 ARG T NH2 1 ? ? +21748 ATOM N NH2 B ARG O 14 24 ? 37.782 -43.868 -14.487 0.60 55.47 ? 24 ARG T NH2 1 ? ? +21749 ATOM N N A GLU O 14 25 ? 32.241 -39.544 -11.270 0.50 54.72 ? 25 GLU T N 1 ? ? +21750 ATOM N N B GLU O 14 25 ? 32.301 -39.499 -11.266 0.50 55.50 ? 25 GLU T N 1 ? ? +21751 ATOM C CA A GLU O 14 25 ? 32.230 -40.364 -10.069 0.50 55.51 ? 25 GLU T CA 1 ? ? +21752 ATOM C CA B GLU O 14 25 ? 32.282 -40.299 -10.054 0.50 56.52 ? 25 GLU T CA 1 ? ? +21753 ATOM C C A GLU O 14 25 ? 33.218 -41.488 -10.342 0.50 56.71 ? 25 GLU T C 1 ? ? +21754 ATOM C C B GLU O 14 25 ? 33.210 -41.478 -10.330 0.50 57.31 ? 25 GLU T C 1 ? ? +21755 ATOM O O A GLU O 14 25 ? 32.997 -42.250 -11.279 0.50 56.81 ? 25 GLU T O 1 ? ? +21756 ATOM O O B GLU O 14 25 ? 32.972 -42.240 -11.264 0.50 57.36 ? 25 GLU T O 1 ? ? +21757 ATOM C CB A GLU O 14 25 ? 30.868 -41.017 -9.771 0.50 54.94 ? 25 GLU T CB 1 ? ? +21758 ATOM C CB B GLU O 14 25 ? 30.871 -40.753 -9.656 0.50 56.48 ? 25 GLU T CB 1 ? ? +21759 ATOM C CG A GLU O 14 25 ? 29.660 -40.184 -10.107 0.50 54.12 ? 25 GLU T CG 1 ? ? +21760 ATOM C CG B GLU O 14 25 ? 30.939 -41.872 -8.645 0.50 57.35 ? 25 GLU T CG 1 ? ? +21761 ATOM C CD A GLU O 14 25 ? 28.329 -40.781 -9.674 0.50 53.70 ? 25 GLU T CD 1 ? ? +21762 ATOM C CD B GLU O 14 25 ? 30.032 -41.737 -7.446 0.50 57.53 ? 25 GLU T CD 1 ? ? +21763 ATOM O OE1 A GLU O 14 25 ? 28.133 -40.969 -8.451 0.50 54.01 ? 25 GLU T OE1 1 ? ? +21764 ATOM O OE1 B GLU O 14 25 ? 30.177 -40.748 -6.692 0.50 57.61 ? 25 GLU T OE1 1 ? ? +21765 ATOM O OE2 A GLU O 14 25 ? 27.479 -41.048 -10.553 0.50 52.70 ? 25 GLU T OE2 1 ? ? +21766 ATOM O OE2 B GLU O 14 25 ? 29.205 -42.650 -7.234 0.50 57.95 ? 25 GLU T OE2 1 ? ? +21767 ATOM N N . PRO O 14 26 ? 34.321 -41.636 -9.577 1.00 58.30 ? 26 PRO T N 1 ? ? +21768 ATOM C CA . PRO O 14 26 ? 35.284 -42.691 -9.883 1.00 59.66 ? 26 PRO T CA 1 ? ? +21769 ATOM C CB . PRO O 14 26 ? 36.467 -42.421 -8.932 1.00 60.28 ? 26 PRO T CB 1 ? ? +21770 ATOM C CG . PRO O 14 26 ? 36.167 -41.146 -8.211 1.00 59.90 ? 26 PRO T CG 1 ? ? +21771 ATOM C CD . PRO O 14 26 ? 34.695 -40.813 -8.414 1.00 58.80 ? 26 PRO T CD 1 ? ? +21772 ATOM C C . PRO O 14 26 ? 34.660 -44.059 -9.638 1.00 60.93 ? 26 PRO T C 1 ? ? +21773 ATOM O O . PRO O 14 26 ? 34.007 -44.251 -8.615 1.00 61.36 ? 26 PRO T O 1 ? ? +21774 ATOM N N A PRO O 14 27 ? 34.819 -45.036 -10.562 0.40 61.50 ? 27 PRO T N 1 ? ? +21775 ATOM N N B PRO O 14 27 ? 34.812 -45.035 -10.564 0.60 62.09 ? 27 PRO T N 1 ? ? +21776 ATOM C CA A PRO O 14 27 ? 34.432 -46.419 -10.278 0.40 62.86 ? 27 PRO T CA 1 ? ? +21777 ATOM C CA B PRO O 14 27 ? 34.433 -46.418 -10.274 0.60 64.22 ? 27 PRO T CA 1 ? ? +21778 ATOM C C A PRO O 14 27 ? 35.322 -47.069 -9.220 0.40 65.61 ? 27 PRO T C 1 ? ? +21779 ATOM C C B PRO O 14 27 ? 35.339 -47.058 -9.221 0.60 68.51 ? 27 PRO T C 1 ? ? +21780 ATOM O O A PRO O 14 27 ? 36.551 -47.038 -9.319 0.40 66.72 ? 27 PRO T O 1 ? ? +21781 ATOM O O B PRO O 14 27 ? 36.566 -47.018 -9.336 0.60 70.29 ? 27 PRO T O 1 ? ? +21782 ATOM C CB A PRO O 14 27 ? 34.555 -47.109 -11.637 0.40 62.29 ? 27 PRO T CB 1 ? ? +21783 ATOM C CB B PRO O 14 27 ? 34.542 -47.108 -11.633 0.60 63.36 ? 27 PRO T CB 1 ? ? +21784 ATOM C CG A PRO O 14 27 ? 35.482 -46.248 -12.441 0.40 61.73 ? 27 PRO T CG 1 ? ? +21785 ATOM C CG B PRO O 14 27 ? 35.448 -46.245 -12.447 0.60 62.50 ? 27 PRO T CG 1 ? ? +21786 ATOM C CD A PRO O 14 27 ? 35.346 -44.849 -11.924 0.40 61.16 ? 27 PRO T CD 1 ? ? +21787 ATOM C CD B PRO O 14 27 ? 35.322 -44.847 -11.932 0.60 61.72 ? 27 PRO T CD 1 ? ? +21788 ATOM N N A ARG O 14 28 ? 34.676 -47.650 -8.204 0.40 67.84 ? 28 ARG T N 1 ? ? +21789 ATOM N N B ARG O 14 28 ? 34.711 -47.637 -8.191 0.60 72.45 ? 28 ARG T N 1 ? ? +21790 ATOM C CA A ARG O 14 28 ? 35.360 -48.292 -7.092 0.40 70.13 ? 28 ARG T CA 1 ? ? +21791 ATOM C CA B ARG O 14 28 ? 35.403 -48.263 -7.075 0.60 76.28 ? 28 ARG T CA 1 ? ? +21792 ATOM C C A ARG O 14 28 ? 34.954 -49.762 -7.036 0.40 71.93 ? 28 ARG T C 1 ? ? +21793 ATOM C C B ARG O 14 28 ? 35.008 -49.735 -6.998 0.60 79.24 ? 28 ARG T C 1 ? ? +21794 ATOM O O A ARG O 14 28 ? 33.776 -50.081 -7.175 0.40 72.64 ? 28 ARG T O 1 ? ? +21795 ATOM O O B ARG O 14 28 ? 33.825 -50.055 -7.098 0.60 81.02 ? 28 ARG T O 1 ? ? +21796 ATOM C CB A ARG O 14 28 ? 34.998 -47.593 -5.767 0.40 70.80 ? 28 ARG T CB 1 ? ? +21797 ATOM C CB B ARG O 14 28 ? 35.023 -47.562 -5.758 0.60 77.77 ? 28 ARG T CB 1 ? ? +21798 ATOM C CG A ARG O 14 28 ? 35.498 -46.154 -5.651 0.40 71.15 ? 28 ARG T CG 1 ? ? +21799 ATOM C CG B ARG O 14 28 ? 35.512 -46.125 -5.637 0.60 78.93 ? 28 ARG T CG 1 ? ? +21800 ATOM C CD A ARG O 14 28 ? 36.993 -46.101 -5.371 0.40 72.50 ? 28 ARG T CD 1 ? ? +21801 ATOM C CD B ARG O 14 28 ? 36.986 -46.079 -5.258 0.60 81.42 ? 28 ARG T CD 1 ? ? +21802 ATOM N NE A ARG O 14 28 ? 37.497 -44.732 -5.326 0.40 72.95 ? 28 ARG T NE 1 ? ? +21803 ATOM N NE B ARG O 14 28 ? 37.515 -44.719 -5.270 0.60 82.77 ? 28 ARG T NE 1 ? ? +21804 ATOM C CZ A ARG O 14 28 ? 38.375 -44.227 -6.182 0.40 72.87 ? 28 ARG T CZ 1 ? ? +21805 ATOM C CZ B ARG O 14 28 ? 38.373 -44.241 -6.166 0.60 82.74 ? 28 ARG T CZ 1 ? ? +21806 ATOM N NH1 A ARG O 14 28 ? 38.852 -44.944 -7.185 0.40 73.03 ? 28 ARG T NH1 1 ? ? +21807 ATOM N NH1 B ARG O 14 28 ? 38.794 -44.976 -7.183 0.60 82.96 ? 28 ARG T NH1 1 ? ? +21808 ATOM N NH2 A ARG O 14 28 ? 38.772 -42.965 -6.038 0.40 72.66 ? 28 ARG T NH2 1 ? ? +21809 ATOM N NH2 B ARG O 14 28 ? 38.804 -42.988 -6.049 0.60 82.48 ? 28 ARG T NH2 1 ? ? +21810 ATOM N N A ILE O 14 29 ? 35.933 -50.649 -6.828 0.40 74.18 ? 29 ILE T N 1 ? ? +21811 ATOM N N B ILE O 14 29 ? 35.993 -50.620 -6.807 0.60 83.04 ? 29 ILE T N 1 ? ? +21812 ATOM C CA A ILE O 14 29 ? 35.674 -52.080 -6.801 0.40 76.28 ? 29 ILE T CA 1 ? ? +21813 ATOM C CA B ILE O 14 29 ? 35.734 -52.052 -6.780 0.60 86.93 ? 29 ILE T CA 1 ? ? +21814 ATOM C C A ILE O 14 29 ? 35.287 -52.582 -5.412 0.40 78.43 ? 29 ILE T C 1 ? ? +21815 ATOM C C B ILE O 14 29 ? 35.284 -52.508 -5.393 0.60 91.30 ? 29 ILE T C 1 ? ? +21816 ATOM O O A ILE O 14 29 ? 35.952 -52.267 -4.428 0.40 79.57 ? 29 ILE T O 1 ? ? +21817 ATOM O O B ILE O 14 29 ? 35.878 -52.117 -4.391 0.60 93.37 ? 29 ILE T O 1 ? ? +21818 ATOM C CB A ILE O 14 29 ? 36.905 -52.863 -7.291 0.40 77.22 ? 29 ILE T CB 1 ? ? +21819 ATOM C CB B ILE O 14 29 ? 36.983 -52.849 -7.229 0.60 88.16 ? 29 ILE T CB 1 ? ? +21820 ATOM C CG1 A ILE O 14 29 ? 37.400 -52.365 -8.646 0.40 77.27 ? 29 ILE T CG1 1 ? ? +21821 ATOM C CG1 B ILE O 14 29 ? 37.532 -52.357 -8.570 0.60 88.84 ? 29 ILE T CG1 1 ? ? +21822 ATOM C CG2 A ILE O 14 29 ? 36.607 -54.354 -7.324 0.40 77.78 ? 29 ILE T CG2 1 ? ? +21823 ATOM C CG2 B ILE O 14 29 ? 36.682 -54.341 -7.291 0.60 88.77 ? 29 ILE T CG2 1 ? ? +21824 ATOM C CD1 A ILE O 14 29 ? 38.774 -52.927 -9.027 0.40 78.00 ? 29 ILE T CD1 1 ? ? +21825 ATOM C CD1 B ILE O 14 29 ? 38.900 -52.961 -8.922 0.60 89.64 ? 29 ILE T CD1 1 ? ? +21826 ATOM N N A THR O 14 30 ? 34.214 -53.381 -5.352 0.40 79.90 ? 30 THR T N 1 ? ? +21827 ATOM N N B THR O 14 30 ? 34.232 -53.339 -5.359 0.60 94.98 ? 30 THR T N 1 ? ? +21828 ATOM C CA A THR O 14 30 ? 33.868 -54.131 -4.153 0.40 81.08 ? 30 THR T CA 1 ? ? +21829 ATOM C CA B THR O 14 30 ? 33.857 -54.108 -4.180 0.60 97.19 ? 30 THR T CA 1 ? ? +21830 ATOM C C A THR O 14 30 ? 33.444 -55.556 -4.514 0.40 81.54 ? 30 THR T C 1 ? ? +21831 ATOM C C B THR O 14 30 ? 33.413 -55.517 -4.598 0.60 98.28 ? 30 THR T C 1 ? ? +21832 ATOM O O A THR O 14 30 ? 32.360 -55.757 -5.064 0.40 80.93 ? 30 THR T O 1 ? ? +21833 ATOM O O B THR O 14 30 ? 32.384 -55.674 -5.260 0.60 97.03 ? 30 THR T O 1 ? ? +21834 ATOM O OXT A THR O 14 30 ? 34.190 -56.504 -4.258 0.40 81.79 ? 30 THR T OXT 1 ? ? +21835 ATOM C CB A THR O 14 30 ? 32.775 -53.416 -3.340 0.40 80.75 ? 30 THR T CB 1 ? ? +21836 ATOM C CB B THR O 14 30 ? 32.747 -53.417 -3.364 0.60 96.50 ? 30 THR T CB 1 ? ? +21837 ATOM O OG1 A THR O 14 30 ? 31.809 -52.866 -4.238 0.40 78.98 ? 30 THR T OG1 1 ? ? +21838 ATOM O OG1 B THR O 14 30 ? 31.777 -52.868 -4.257 0.60 93.03 ? 30 THR T OG1 1 ? ? +21839 ATOM C CG2 A THR O 14 30 ? 33.345 -52.314 -2.448 0.40 80.97 ? 30 THR T CG2 1 ? ? +21840 ATOM C CG2 B THR O 14 30 ? 33.288 -52.320 -2.461 0.60 96.86 ? 30 THR T CG2 1 ? ? +21841 ATOM N N . LEU P 15 1 ? 9.681 -4.781 -66.292 1.00 63.80 ? 9 LEU U N 1 ? ? +21842 ATOM C CA . LEU P 15 1 ? 10.331 -6.067 -66.103 1.00 62.37 ? 9 LEU U CA 1 ? ? +21843 ATOM C CB . LEU P 15 1 ? 10.470 -6.415 -64.611 1.00 61.57 ? 9 LEU U CB 1 ? ? +21844 ATOM C CG . LEU P 15 1 ? 11.816 -6.123 -63.925 1.00 61.88 ? 9 LEU U CG 1 ? ? +21845 ATOM C CD1 . LEU P 15 1 ? 12.850 -5.578 -64.895 1.00 62.58 ? 9 LEU U CD1 1 ? ? +21846 ATOM C CD2 . LEU P 15 1 ? 11.656 -5.207 -62.769 1.00 61.96 ? 9 LEU U CD2 1 ? ? +21847 ATOM C C . LEU P 15 1 ? 9.551 -7.165 -66.815 1.00 61.93 ? 9 LEU U C 1 ? ? +21848 ATOM O O . LEU P 15 1 ? 8.491 -7.574 -66.356 1.00 63.30 ? 9 LEU U O 1 ? ? +21849 ATOM N N . VAL P 15 2 ? 10.111 -7.647 -67.925 1.00 61.48 ? 10 VAL U N 1 ? ? +21850 ATOM C CA . VAL P 15 2 ? 9.486 -8.683 -68.727 1.00 60.97 ? 10 VAL U CA 1 ? ? +21851 ATOM C CB . VAL P 15 2 ? 8.795 -8.060 -69.959 1.00 62.82 ? 10 VAL U CB 1 ? ? +21852 ATOM C CG1 . VAL P 15 2 ? 9.818 -7.372 -70.868 1.00 63.81 ? 10 VAL U CG1 1 ? ? +21853 ATOM C CG2 . VAL P 15 2 ? 7.987 -9.099 -70.733 1.00 63.61 ? 10 VAL U CG2 1 ? ? +21854 ATOM C C . VAL P 15 2 ? 10.546 -9.702 -69.137 1.00 58.93 ? 10 VAL U C 1 ? ? +21855 ATOM O O . VAL P 15 2 ? 11.666 -9.335 -69.481 1.00 60.20 ? 10 VAL U O 1 ? ? +21856 ATOM N N . ASN P 15 3 ? 10.181 -10.982 -69.054 1.00 56.51 ? 11 ASN U N 1 ? ? +21857 ATOM C CA . ASN P 15 3 ? 10.994 -12.068 -69.562 1.00 54.90 ? 11 ASN U CA 1 ? ? +21858 ATOM C CB . ASN P 15 3 ? 10.559 -13.398 -68.954 1.00 53.81 ? 11 ASN U CB 1 ? ? +21859 ATOM C CG . ASN P 15 3 ? 11.202 -14.595 -69.581 1.00 53.38 ? 11 ASN U CG 1 ? ? +21860 ATOM O OD1 . ASN P 15 3 ? 11.369 -14.682 -70.787 1.00 53.76 ? 11 ASN U OD1 1 ? ? +21861 ATOM N ND2 . ASN P 15 3 ? 11.576 -15.549 -68.795 1.00 52.79 ? 11 ASN U ND2 1 ? ? +21862 ATOM C C . ASN P 15 3 ? 10.847 -12.036 -71.080 1.00 55.16 ? 11 ASN U C 1 ? ? +21863 ATOM O O . ASN P 15 3 ? 9.741 -12.210 -71.599 1.00 56.29 ? 11 ASN U O 1 ? ? +21864 ATOM N N . VAL P 15 4 ? 11.969 -11.807 -71.772 1.00 54.65 ? 12 VAL U N 1 ? ? +21865 ATOM C CA . VAL P 15 4 ? 11.979 -11.543 -73.199 1.00 54.68 ? 12 VAL U CA 1 ? ? +21866 ATOM C CB . VAL P 15 4 ? 13.288 -10.824 -73.637 1.00 54.70 ? 12 VAL U CB 1 ? ? +21867 ATOM C CG1 . VAL P 15 4 ? 13.420 -9.486 -72.934 1.00 54.55 ? 12 VAL U CG1 1 ? ? +21868 ATOM C CG2 . VAL P 15 4 ? 14.536 -11.683 -73.419 1.00 54.39 ? 12 VAL U CG2 1 ? ? +21869 ATOM C C . VAL P 15 4 ? 11.754 -12.807 -74.020 1.00 54.84 ? 12 VAL U C 1 ? ? +21870 ATOM O O . VAL P 15 4 ? 11.349 -12.727 -75.182 1.00 55.38 ? 12 VAL U O 1 ? ? +21871 ATOM N N . VAL P 15 5 ? 12.035 -13.973 -73.423 1.00 54.45 ? 13 VAL U N 1 ? ? +21872 ATOM C CA . VAL P 15 5 ? 11.843 -15.235 -74.118 1.00 54.68 ? 13 VAL U CA 1 ? ? +21873 ATOM C CB . VAL P 15 5 ? 12.662 -16.366 -73.492 1.00 54.21 ? 13 VAL U CB 1 ? ? +21874 ATOM C CG1 . VAL P 15 5 ? 12.362 -17.693 -74.185 1.00 54.46 ? 13 VAL U CG1 1 ? ? +21875 ATOM C CG2 . VAL P 15 5 ? 14.156 -16.052 -73.524 1.00 54.20 ? 13 VAL U CG2 1 ? ? +21876 ATOM C C . VAL P 15 5 ? 10.354 -15.577 -74.180 1.00 54.79 ? 13 VAL U C 1 ? ? +21877 ATOM O O . VAL P 15 5 ? 9.867 -16.002 -75.227 1.00 55.14 ? 13 VAL U O 1 ? ? +21878 ATOM N N . ASP P 15 6 ? 9.645 -15.393 -73.056 1.00 54.47 ? 14 ASP U N 1 ? ? +21879 ATOM C CA . ASP P 15 6 ? 8.196 -15.525 -73.032 1.00 54.97 ? 14 ASP U CA 1 ? ? +21880 ATOM C CB . ASP P 15 6 ? 7.635 -15.254 -71.646 1.00 54.14 ? 14 ASP U CB 1 ? ? +21881 ATOM C CG . ASP P 15 6 ? 7.978 -16.312 -70.672 1.00 53.32 ? 14 ASP U CG 1 ? ? +21882 ATOM O OD1 . ASP P 15 6 ? 7.973 -17.489 -71.064 1.00 53.07 ? 14 ASP U OD1 1 ? ? +21883 ATOM O OD2 . ASP P 15 6 ? 8.220 -15.974 -69.508 1.00 52.87 ? 14 ASP U OD2 1 ? ? +21884 ATOM C C . ASP P 15 6 ? 7.508 -14.573 -74.002 1.00 56.16 ? 14 ASP U C 1 ? ? +21885 ATOM O O . ASP P 15 6 ? 6.565 -14.966 -74.679 1.00 56.47 ? 14 ASP U O 1 ? ? +21886 ATOM N N . GLU P 15 7 ? 7.996 -13.327 -74.037 1.00 57.21 ? 15 GLU U N 1 ? ? +21887 ATOM C CA . GLU P 15 7 ? 7.484 -12.310 -74.936 1.00 58.66 ? 15 GLU U CA 1 ? ? +21888 ATOM C CB . GLU P 15 7 ? 8.215 -10.990 -74.663 1.00 60.68 ? 15 GLU U CB 1 ? ? +21889 ATOM C CG . GLU P 15 7 ? 7.678 -9.768 -75.392 1.00 63.40 ? 15 GLU U CG 1 ? ? +21890 ATOM C CD . GLU P 15 7 ? 8.530 -8.519 -75.205 1.00 65.70 ? 15 GLU U CD 1 ? ? +21891 ATOM O OE1 . GLU P 15 7 ? 9.784 -8.603 -75.271 1.00 66.97 ? 15 GLU U OE1 1 ? ? +21892 ATOM O OE2 . GLU P 15 7 ? 7.927 -7.439 -75.016 1.00 67.98 ? 15 GLU U OE2 1 ? ? +21893 ATOM C C . GLU P 15 7 ? 7.638 -12.746 -76.391 1.00 58.31 ? 15 GLU U C 1 ? ? +21894 ATOM O O . GLU P 15 7 ? 6.733 -12.539 -77.202 1.00 58.73 ? 15 GLU U O 1 ? ? +21895 ATOM N N . LYS P 15 8 ? 8.788 -13.356 -76.708 1.00 57.27 ? 16 LYS U N 1 ? ? +21896 ATOM C CA . LYS P 15 8 ? 9.086 -13.798 -78.062 1.00 57.05 ? 16 LYS U CA 1 ? ? +21897 ATOM C CB . LYS P 15 8 ? 10.517 -14.317 -78.121 1.00 57.00 ? 16 LYS U CB 1 ? ? +21898 ATOM C CG . LYS P 15 8 ? 11.143 -14.223 -79.476 1.00 57.69 ? 16 LYS U CG 1 ? ? +21899 ATOM C CD . LYS P 15 8 ? 11.558 -12.817 -79.802 1.00 58.14 ? 16 LYS U CD 1 ? ? +21900 ATOM C CE . LYS P 15 8 ? 12.561 -12.785 -80.910 1.00 58.56 ? 16 LYS U CE 1 ? ? +21901 ATOM N NZ . LYS P 15 8 ? 12.628 -11.438 -81.497 1.00 59.19 ? 16 LYS U NZ 1 ? ? +21902 ATOM C C . LYS P 15 8 ? 8.126 -14.896 -78.523 1.00 56.34 ? 16 LYS U C 1 ? ? +21903 ATOM O O . LYS P 15 8 ? 7.817 -15.004 -79.704 1.00 56.49 ? 16 LYS U O 1 ? ? +21904 ATOM N N . LEU P 15 9 ? 7.678 -15.723 -77.575 1.00 55.35 ? 17 LEU U N 1 ? ? +21905 ATOM C CA . LEU P 15 9 ? 6.712 -16.772 -77.852 1.00 55.25 ? 17 LEU U CA 1 ? ? +21906 ATOM C CB . LEU P 15 9 ? 6.526 -17.654 -76.604 1.00 54.58 ? 17 LEU U CB 1 ? ? +21907 ATOM C CG . LEU P 15 9 ? 7.657 -18.648 -76.261 1.00 54.06 ? 17 LEU U CG 1 ? ? +21908 ATOM C CD1 . LEU P 15 9 ? 7.312 -19.439 -75.015 1.00 53.45 ? 17 LEU U CD1 1 ? ? +21909 ATOM C CD2 . LEU P 15 9 ? 7.929 -19.608 -77.409 1.00 54.34 ? 17 LEU U CD2 1 ? ? +21910 ATOM C C . LEU P 15 9 ? 5.347 -16.234 -78.296 1.00 55.55 ? 17 LEU U C 1 ? ? +21911 ATOM O O . LEU P 15 9 ? 4.564 -16.971 -78.881 1.00 55.80 ? 17 LEU U O 1 ? ? +21912 ATOM N N . GLY P 15 10 ? 5.073 -14.950 -78.029 1.00 55.36 ? 18 GLY U N 1 ? ? +21913 ATOM C CA . GLY P 15 10 ? 3.904 -14.276 -78.562 1.00 55.84 ? 18 GLY U CA 1 ? ? +21914 ATOM C C . GLY P 15 10 ? 4.033 -13.726 -79.982 1.00 56.55 ? 18 GLY U C 1 ? ? +21915 ATOM O O . GLY P 15 10 ? 3.065 -13.197 -80.522 1.00 57.18 ? 18 GLY U O 1 ? ? +21916 ATOM N N . THR P 15 11 ? 5.219 -13.860 -80.586 1.00 56.57 ? 19 THR U N 1 ? ? +21917 ATOM C CA . THR P 15 11 ? 5.460 -13.403 -81.943 1.00 57.18 ? 19 THR U CA 1 ? ? +21918 ATOM C CB . THR P 15 11 ? 6.762 -12.590 -82.021 1.00 57.20 ? 19 THR U CB 1 ? ? +21919 ATOM O OG1 . THR P 15 11 ? 7.897 -13.478 -81.954 1.00 56.89 ? 19 THR U OG1 1 ? ? +21920 ATOM C CG2 . THR P 15 11 ? 6.848 -11.538 -80.928 1.00 56.79 ? 19 THR U CG2 1 ? ? +21921 ATOM C C . THR P 15 11 ? 5.484 -14.619 -82.861 1.00 57.51 ? 19 THR U C 1 ? ? +21922 ATOM O O . THR P 15 11 ? 5.190 -15.728 -82.429 1.00 57.01 ? 19 THR U O 1 ? ? +21923 ATOM N N . ALA P 15 12 ? 5.841 -14.399 -84.129 1.00 58.42 ? 20 ALA U N 1 ? ? +21924 ATOM C CA . ALA P 15 12 ? 5.904 -15.471 -85.105 1.00 59.08 ? 20 ALA U CA 1 ? ? +21925 ATOM C CB . ALA P 15 12 ? 6.235 -14.903 -86.474 1.00 59.73 ? 20 ALA U CB 1 ? ? +21926 ATOM C C . ALA P 15 12 ? 6.916 -16.547 -84.714 1.00 59.15 ? 20 ALA U C 1 ? ? +21927 ATOM O O . ALA P 15 12 ? 6.814 -17.679 -85.182 1.00 59.47 ? 20 ALA U O 1 ? ? +21928 ATOM N N . TYR P 15 13 ? 7.893 -16.178 -83.870 1.00 59.19 ? 21 TYR U N 1 ? ? +21929 ATOM C CA . TYR P 15 13 ? 8.852 -17.123 -83.315 1.00 59.03 ? 21 TYR U CA 1 ? ? +21930 ATOM C CB . TYR P 15 13 ? 9.757 -16.427 -82.293 1.00 58.43 ? 21 TYR U CB 1 ? ? +21931 ATOM C CG . TYR P 15 13 ? 10.679 -17.349 -81.528 1.00 57.70 ? 21 TYR U CG 1 ? ? +21932 ATOM C CD1 . TYR P 15 13 ? 11.920 -17.697 -82.034 1.00 57.85 ? 21 TYR U CD1 1 ? ? +21933 ATOM C CD2 . TYR P 15 13 ? 10.302 -17.885 -80.303 1.00 57.02 ? 21 TYR U CD2 1 ? ? +21934 ATOM C CE1 . TYR P 15 13 ? 12.774 -18.544 -81.335 1.00 57.26 ? 21 TYR U CE1 1 ? ? +21935 ATOM C CE2 . TYR P 15 13 ? 11.147 -18.730 -79.595 1.00 56.58 ? 21 TYR U CE2 1 ? ? +21936 ATOM C CZ . TYR P 15 13 ? 12.384 -19.058 -80.117 1.00 56.61 ? 21 TYR U CZ 1 ? ? +21937 ATOM O OH . TYR P 15 13 ? 13.235 -19.888 -79.438 1.00 56.18 ? 21 TYR U OH 1 ? ? +21938 ATOM C C . TYR P 15 13 ? 8.165 -18.298 -82.626 1.00 59.06 ? 21 TYR U C 1 ? ? +21939 ATOM O O . TYR P 15 13 ? 8.706 -19.399 -82.598 1.00 59.24 ? 21 TYR U O 1 ? ? +21940 ATOM N N . GLY P 15 14 ? 6.987 -18.038 -82.045 1.00 59.30 ? 22 GLY U N 1 ? ? +21941 ATOM C CA . GLY P 15 14 ? 6.227 -19.061 -81.351 1.00 59.20 ? 22 GLY U CA 1 ? ? +21942 ATOM C C . GLY P 15 14 ? 5.457 -20.017 -82.259 1.00 59.97 ? 22 GLY U C 1 ? ? +21943 ATOM O O . GLY P 15 14 ? 4.875 -20.978 -81.767 1.00 59.82 ? 22 GLY U O 1 ? ? +21944 ATOM N N . GLU P 15 15 ? 5.444 -19.758 -83.573 1.00 61.40 ? 23 GLU U N 1 ? ? +21945 ATOM C CA . GLU P 15 15 ? 4.681 -20.596 -84.485 1.00 62.80 ? 23 GLU U CA 1 ? ? +21946 ATOM C CB . GLU P 15 15 ? 3.384 -19.863 -84.919 1.00 64.48 ? 23 GLU U CB 1 ? ? +21947 ATOM C CG . GLU P 15 15 ? 3.604 -18.479 -85.476 1.00 66.18 ? 23 GLU U CG 1 ? ? +21948 ATOM C CD . GLU P 15 15 ? 2.324 -17.756 -85.860 1.00 68.28 ? 23 GLU U CD 1 ? ? +21949 ATOM O OE1 . GLU P 15 15 ? 1.669 -17.176 -84.959 1.00 69.21 ? 23 GLU U OE1 1 ? ? +21950 ATOM O OE2 . GLU P 15 15 ? 1.970 -17.788 -87.065 1.00 69.84 ? 23 GLU U OE2 1 ? ? +21951 ATOM C C . GLU P 15 15 ? 5.431 -21.102 -85.715 1.00 62.76 ? 23 GLU U C 1 ? ? +21952 ATOM O O . GLU P 15 15 ? 5.009 -22.090 -86.304 1.00 63.05 ? 23 GLU U O 1 ? ? +21953 ATOM N N . LYS P 15 16 ? 6.537 -20.452 -86.090 1.00 62.47 ? 24 LYS U N 1 ? ? +21954 ATOM C CA . LYS P 15 16 ? 7.332 -20.868 -87.238 1.00 62.66 ? 24 LYS U CA 1 ? ? +21955 ATOM C CB . LYS P 15 16 ? 7.107 -19.901 -88.405 1.00 64.12 ? 24 LYS U CB 1 ? ? +21956 ATOM C CG . LYS P 15 16 ? 5.675 -19.802 -88.877 1.00 65.05 ? 24 LYS U CG 1 ? ? +21957 ATOM C CD . LYS P 15 16 ? 5.560 -18.883 -90.037 1.00 66.52 ? 24 LYS U CD 1 ? ? +21958 ATOM C CE . LYS P 15 16 ? 4.142 -18.660 -90.476 1.00 68.09 ? 24 LYS U CE 1 ? ? +21959 ATOM N NZ . LYS P 15 16 ? 3.482 -19.925 -90.933 1.00 68.96 ? 24 LYS U NZ 1 ? ? +21960 ATOM C C . LYS P 15 16 ? 8.818 -20.893 -86.898 1.00 61.24 ? 24 LYS U C 1 ? ? +21961 ATOM O O . LYS P 15 16 ? 9.208 -20.473 -85.818 1.00 60.78 ? 24 LYS U O 1 ? ? +21962 ATOM N N . ILE P 15 17 ? 9.642 -21.379 -87.829 1.00 60.76 ? 25 ILE U N 1 ? ? +21963 ATOM C CA . ILE P 15 17 ? 11.085 -21.319 -87.679 1.00 59.90 ? 25 ILE U CA 1 ? ? +21964 ATOM C CB . ILE P 15 17 ? 11.801 -22.323 -88.603 1.00 60.10 ? 25 ILE U CB 1 ? ? +21965 ATOM C CG1 . ILE P 15 17 ? 11.393 -23.770 -88.291 1.00 59.61 ? 25 ILE U CG1 1 ? ? +21966 ATOM C CG2 . ILE P 15 17 ? 13.336 -22.144 -88.520 1.00 60.01 ? 25 ILE U CG2 1 ? ? +21967 ATOM C CD1 . ILE P 15 17 ? 11.712 -24.723 -89.352 1.00 59.98 ? 25 ILE U CD1 1 ? ? +21968 ATOM C C . ILE P 15 17 ? 11.557 -19.896 -87.961 1.00 59.74 ? 25 ILE U C 1 ? ? +21969 ATOM O O . ILE P 15 17 ? 11.487 -19.439 -89.094 1.00 60.32 ? 25 ILE U O 1 ? ? +21970 ATOM N N . ASP P 15 18 ? 12.028 -19.206 -86.921 1.00 58.87 ? 26 ASP U N 1 ? ? +21971 ATOM C CA . ASP P 15 18 ? 12.592 -17.874 -87.057 1.00 58.92 ? 26 ASP U CA 1 ? ? +21972 ATOM C CB . ASP P 15 18 ? 12.474 -17.129 -85.716 1.00 58.25 ? 26 ASP U CB 1 ? ? +21973 ATOM C CG . ASP P 15 18 ? 12.979 -15.699 -85.687 1.00 58.33 ? 26 ASP U CG 1 ? ? +21974 ATOM O OD1 . ASP P 15 18 ? 13.558 -15.255 -86.693 1.00 58.83 ? 26 ASP U OD1 1 ? ? +21975 ATOM O OD2 . ASP P 15 18 ? 12.785 -15.025 -84.657 1.00 57.86 ? 26 ASP U OD2 1 ? ? +21976 ATOM C C . ASP P 15 18 ? 14.048 -17.983 -87.520 1.00 59.06 ? 26 ASP U C 1 ? ? +21977 ATOM O O . ASP P 15 18 ? 14.905 -18.509 -86.807 1.00 58.49 ? 26 ASP U O 1 ? ? +21978 ATOM N N . LEU P 15 19 ? 14.321 -17.475 -88.726 1.00 59.61 ? 27 LEU U N 1 ? ? +21979 ATOM C CA . LEU P 15 19 ? 15.636 -17.612 -89.330 1.00 59.84 ? 27 LEU U CA 1 ? ? +21980 ATOM C CB . LEU P 15 19 ? 15.617 -17.076 -90.763 1.00 60.58 ? 27 LEU U CB 1 ? ? +21981 ATOM C CG . LEU P 15 19 ? 14.608 -17.733 -91.702 1.00 60.92 ? 27 LEU U CG 1 ? ? +21982 ATOM C CD1 . LEU P 15 19 ? 14.631 -17.110 -93.085 1.00 61.77 ? 27 LEU U CD1 1 ? ? +21983 ATOM C CD2 . LEU P 15 19 ? 14.861 -19.208 -91.841 1.00 60.76 ? 27 LEU U CD2 1 ? ? +21984 ATOM C C . LEU P 15 19 ? 16.707 -16.889 -88.517 1.00 59.53 ? 27 LEU U C 1 ? ? +21985 ATOM O O . LEU P 15 19 ? 17.883 -17.222 -88.619 1.00 59.53 ? 27 LEU U O 1 ? ? +21986 ATOM N N . ASN P 15 20 ? 16.279 -15.911 -87.705 1.00 59.23 ? 28 ASN U N 1 ? ? +21987 ATOM C CA . ASN P 15 20 ? 17.175 -15.071 -86.929 1.00 58.92 ? 28 ASN U CA 1 ? ? +21988 ATOM C CB . ASN P 15 20 ? 16.628 -13.653 -86.887 1.00 59.26 ? 28 ASN U CB 1 ? ? +21989 ATOM C CG . ASN P 15 20 ? 16.673 -12.930 -88.198 1.00 60.22 ? 28 ASN U CG 1 ? ? +21990 ATOM O OD1 . ASN P 15 20 ? 17.358 -13.326 -89.130 1.00 60.84 ? 28 ASN U OD1 1 ? ? +21991 ATOM N ND2 . ASN P 15 20 ? 15.964 -11.823 -88.282 1.00 60.55 ? 28 ASN U ND2 1 ? ? +21992 ATOM C C . ASN P 15 20 ? 17.408 -15.493 -85.483 1.00 58.05 ? 28 ASN U C 1 ? ? +21993 ATOM O O . ASN P 15 20 ? 18.229 -14.891 -84.802 1.00 58.20 ? 28 ASN U O 1 ? ? +21994 ATOM N N . ASN P 15 21 ? 16.672 -16.496 -85.001 1.00 57.47 ? 29 ASN U N 1 ? ? +21995 ATOM C CA . ASN P 15 21 ? 16.687 -16.826 -83.583 1.00 56.51 ? 29 ASN U CA 1 ? ? +21996 ATOM C CB . ASN P 15 21 ? 15.532 -16.103 -82.914 1.00 56.32 ? 29 ASN U CB 1 ? ? +21997 ATOM C CG . ASN P 15 21 ? 15.798 -14.640 -82.684 1.00 56.44 ? 29 ASN U CG 1 ? ? +21998 ATOM O OD1 . ASN P 15 21 ? 16.655 -14.295 -81.909 1.00 56.18 ? 29 ASN U OD1 1 ? ? +21999 ATOM N ND2 . ASN P 15 21 ? 15.063 -13.742 -83.321 1.00 56.96 ? 29 ASN U ND2 1 ? ? +22000 ATOM C C . ASN P 15 21 ? 16.611 -18.310 -83.231 1.00 55.97 ? 29 ASN U C 1 ? ? +22001 ATOM O O . ASN P 15 21 ? 17.246 -18.752 -82.273 1.00 55.35 ? 29 ASN U O 1 ? ? +22002 ATOM N N . THR P 15 22 ? 15.825 -19.071 -84.003 1.00 56.04 ? 30 THR U N 1 ? ? +22003 ATOM C CA . THR P 15 22 ? 15.482 -20.433 -83.633 1.00 55.49 ? 30 THR U CA 1 ? ? +22004 ATOM C CB . THR P 15 22 ? 14.383 -20.965 -84.549 1.00 55.75 ? 30 THR U CB 1 ? ? +22005 ATOM O OG1 . THR P 15 22 ? 13.266 -20.111 -84.392 1.00 55.82 ? 30 THR U OG1 1 ? ? +22006 ATOM C CG2 . THR P 15 22 ? 13.989 -22.398 -84.244 1.00 55.43 ? 30 THR U CG2 1 ? ? +22007 ATOM C C . THR P 15 22 ? 16.717 -21.322 -83.666 1.00 55.32 ? 30 THR U C 1 ? ? +22008 ATOM O O . THR P 15 22 ? 17.562 -21.191 -84.548 1.00 55.78 ? 30 THR U O 1 ? ? +22009 ATOM N N . ASN P 15 23 ? 16.774 -22.233 -82.695 1.00 54.68 ? 31 ASN U N 1 ? ? +22010 ATOM C CA . ASN P 15 23 ? 17.811 -23.243 -82.624 1.00 54.54 ? 31 ASN U CA 1 ? ? +22011 ATOM C CB . ASN P 15 23 ? 17.651 -24.006 -81.328 1.00 53.93 ? 31 ASN U CB 1 ? ? +22012 ATOM C CG . ASN P 15 23 ? 18.537 -25.182 -81.238 1.00 53.97 ? 31 ASN U CG 1 ? ? +22013 ATOM O OD1 . ASN P 15 23 ? 18.199 -26.240 -81.759 1.00 54.22 ? 31 ASN U OD1 1 ? ? +22014 ATOM N ND2 . ASN P 15 23 ? 19.696 -25.031 -80.588 1.00 53.89 ? 31 ASN U ND2 1 ? ? +22015 ATOM C C . ASN P 15 23 ? 17.761 -24.165 -83.840 1.00 55.01 ? 31 ASN U C 1 ? ? +22016 ATOM O O . ASN P 15 23 ? 16.679 -24.474 -84.347 1.00 55.27 ? 31 ASN U O 1 ? ? +22017 ATOM N N . ILE P 15 24 ? 18.949 -24.609 -84.276 1.00 55.08 ? 32 ILE U N 1 ? ? +22018 ATOM C CA . ILE P 15 24 ? 19.134 -25.319 -85.534 1.00 55.55 ? 32 ILE U CA 1 ? ? +22019 ATOM C CB . ILE P 15 24 ? 20.645 -25.554 -85.757 1.00 55.62 ? 32 ILE U CB 1 ? ? +22020 ATOM C CG1 . ILE P 15 24 ? 20.947 -25.877 -87.213 1.00 56.29 ? 32 ILE U CG1 1 ? ? +22021 ATOM C CG2 . ILE P 15 24 ? 21.174 -26.640 -84.814 1.00 55.13 ? 32 ILE U CG2 1 ? ? +22022 ATOM C CD1 . ILE P 15 24 ? 22.427 -25.831 -87.546 1.00 56.62 ? 32 ILE U CD1 1 ? ? +22023 ATOM C C . ILE P 15 24 ? 18.383 -26.645 -85.633 1.00 55.49 ? 32 ILE U C 1 ? ? +22024 ATOM O O . ILE P 15 24 ? 18.084 -27.108 -86.732 1.00 55.96 ? 32 ILE U O 1 ? ? +22025 ATOM N N . ALA P 15 25 ? 18.112 -27.269 -84.483 1.00 54.92 ? 33 ALA U N 1 ? ? +22026 ATOM C CA . ALA P 15 25 ? 17.413 -28.541 -84.457 1.00 54.94 ? 33 ALA U CA 1 ? ? +22027 ATOM C CB . ALA P 15 25 ? 17.457 -29.118 -83.062 1.00 54.25 ? 33 ALA U CB 1 ? ? +22028 ATOM C C . ALA P 15 25 ? 15.967 -28.428 -84.948 1.00 55.26 ? 33 ALA U C 1 ? ? +22029 ATOM O O . ALA P 15 25 ? 15.368 -29.416 -85.338 1.00 55.37 ? 33 ALA U O 1 ? ? +22030 ATOM N N . ALA P 15 26 ? 15.419 -27.214 -84.962 1.00 55.49 ? 34 ALA U N 1 ? ? +22031 ATOM C CA . ALA P 15 26 ? 14.078 -26.988 -85.473 1.00 55.99 ? 34 ALA U CA 1 ? ? +22032 ATOM C CB . ALA P 15 26 ? 13.670 -25.548 -85.205 1.00 55.93 ? 34 ALA U CB 1 ? ? +22033 ATOM C C . ALA P 15 26 ? 13.927 -27.319 -86.958 1.00 56.88 ? 34 ALA U C 1 ? ? +22034 ATOM O O . ALA P 15 26 ? 12.829 -27.640 -87.396 1.00 57.15 ? 34 ALA U O 1 ? ? +22035 ATOM N N . PHE P 15 27 ? 15.028 -27.264 -87.720 1.00 57.46 ? 35 PHE U N 1 ? ? +22036 ATOM C CA . PHE P 15 27 ? 14.990 -27.480 -89.161 1.00 58.38 ? 35 PHE U CA 1 ? ? +22037 ATOM C CB . PHE P 15 27 ? 16.275 -26.920 -89.838 1.00 58.58 ? 35 PHE U CB 1 ? ? +22038 ATOM C CG . PHE P 15 27 ? 16.397 -25.415 -89.806 1.00 58.52 ? 35 PHE U CG 1 ? ? +22039 ATOM C CD1 . PHE P 15 27 ? 16.940 -24.770 -88.708 1.00 57.94 ? 35 PHE U CD1 1 ? ? +22040 ATOM C CD2 . PHE P 15 27 ? 15.944 -24.645 -90.859 1.00 59.02 ? 35 PHE U CD2 1 ? ? +22041 ATOM C CE1 . PHE P 15 27 ? 17.046 -23.386 -88.678 1.00 57.95 ? 35 PHE U CE1 1 ? ? +22042 ATOM C CE2 . PHE P 15 27 ? 16.051 -23.261 -90.822 1.00 59.07 ? 35 PHE U CE2 1 ? ? +22043 ATOM C CZ . PHE P 15 27 ? 16.599 -22.641 -89.732 1.00 58.53 ? 35 PHE U CZ 1 ? ? +22044 ATOM C C . PHE P 15 27 ? 14.816 -28.942 -89.569 1.00 58.97 ? 35 PHE U C 1 ? ? +22045 ATOM O O . PHE P 15 27 ? 14.692 -29.253 -90.749 1.00 59.61 ? 35 PHE U O 1 ? ? +22046 ATOM N N . ILE P 15 28 ? 14.818 -29.846 -88.589 1.00 59.15 ? 36 ILE U N 1 ? ? +22047 ATOM C CA . ILE P 15 28 ? 14.529 -31.248 -88.835 1.00 59.92 ? 36 ILE U CA 1 ? ? +22048 ATOM C CB . ILE P 15 28 ? 15.047 -32.065 -87.636 1.00 59.21 ? 36 ILE U CB 1 ? ? +22049 ATOM C CG1 . ILE P 15 28 ? 16.597 -32.002 -87.628 1.00 59.11 ? 36 ILE U CG1 1 ? ? +22050 ATOM C CG2 . ILE P 15 28 ? 14.528 -33.505 -87.614 1.00 59.13 ? 36 ILE U CG2 1 ? ? +22051 ATOM C CD1 . ILE P 15 28 ? 17.203 -32.531 -86.374 1.00 58.55 ? 36 ILE U CD1 1 ? ? +22052 ATOM C C . ILE P 15 28 ? 13.048 -31.492 -89.117 1.00 61.01 ? 36 ILE U C 1 ? ? +22053 ATOM O O . ILE P 15 28 ? 12.691 -32.540 -89.647 1.00 61.47 ? 36 ILE U O 1 ? ? +22054 ATOM N N . GLN P 15 29 ? 12.203 -30.503 -88.798 1.00 61.94 ? 37 GLN U N 1 ? ? +22055 ATOM C CA . GLN P 15 29 ? 10.766 -30.619 -88.964 1.00 63.11 ? 37 GLN U CA 1 ? ? +22056 ATOM C CB . GLN P 15 29 ? 10.086 -29.402 -88.338 1.00 64.07 ? 37 GLN U CB 1 ? ? +22057 ATOM C CG . GLN P 15 29 ? 10.129 -29.376 -86.829 1.00 64.45 ? 37 GLN U CG 1 ? ? +22058 ATOM C CD . GLN P 15 29 ? 9.472 -28.117 -86.327 1.00 65.87 ? 37 GLN U CD 1 ? ? +22059 ATOM O OE1 . GLN P 15 29 ? 10.038 -27.017 -86.379 1.00 66.69 ? 37 GLN U OE1 1 ? ? +22060 ATOM N NE2 . GLN P 15 29 ? 8.241 -28.236 -85.831 1.00 67.04 ? 37 GLN U NE2 1 ? ? +22061 ATOM C C . GLN P 15 29 ? 10.285 -30.720 -90.409 1.00 63.91 ? 37 GLN U C 1 ? ? +22062 ATOM O O . GLN P 15 29 ? 9.149 -31.123 -90.646 1.00 64.35 ? 37 GLN U O 1 ? ? +22063 ATOM N N . TYR P 15 30 ? 11.132 -30.317 -91.364 1.00 64.23 ? 38 TYR U N 1 ? ? +22064 ATOM C CA . TYR P 15 30 ? 10.769 -30.319 -92.772 1.00 64.87 ? 38 TYR U CA 1 ? ? +22065 ATOM C CB . TYR P 15 30 ? 10.539 -28.878 -93.247 1.00 65.28 ? 38 TYR U CB 1 ? ? +22066 ATOM C CG . TYR P 15 30 ? 9.467 -28.172 -92.446 1.00 65.14 ? 38 TYR U CG 1 ? ? +22067 ATOM C CD1 . TYR P 15 30 ? 8.125 -28.532 -92.568 1.00 65.30 ? 38 TYR U CD1 1 ? ? +22068 ATOM C CD2 . TYR P 15 30 ? 9.795 -27.177 -91.534 1.00 64.64 ? 38 TYR U CD2 1 ? ? +22069 ATOM C CE1 . TYR P 15 30 ? 7.136 -27.894 -91.829 1.00 65.06 ? 38 TYR U CE1 1 ? ? +22070 ATOM C CE2 . TYR P 15 30 ? 8.815 -26.539 -90.783 1.00 64.63 ? 38 TYR U CE2 1 ? ? +22071 ATOM C CZ . TYR P 15 30 ? 7.486 -26.903 -90.933 1.00 64.76 ? 38 TYR U CZ 1 ? ? +22072 ATOM O OH . TYR P 15 30 ? 6.526 -26.282 -90.187 1.00 64.74 ? 38 TYR U OH 1 ? ? +22073 ATOM C C . TYR P 15 30 ? 11.844 -31.019 -93.594 1.00 65.24 ? 38 TYR U C 1 ? ? +22074 ATOM O O . TYR P 15 30 ? 13.000 -31.084 -93.179 1.00 66.37 ? 38 TYR U O 1 ? ? +22075 ATOM N N . ARG P 15 31 ? 11.447 -31.535 -94.759 1.00 65.55 ? 39 ARG U N 1 ? ? +22076 ATOM C CA . ARG P 15 31 ? 12.314 -32.357 -95.581 1.00 65.76 ? 39 ARG U CA 1 ? ? +22077 ATOM C CB . ARG P 15 31 ? 11.493 -33.037 -96.702 1.00 67.26 ? 39 ARG U CB 1 ? ? +22078 ATOM C CG . ARG P 15 31 ? 12.267 -34.133 -97.450 1.00 68.54 ? 39 ARG U CG 1 ? ? +22079 ATOM C CD . ARG P 15 31 ? 11.518 -34.664 -98.652 1.00 69.98 ? 39 ARG U CD 1 ? ? +22080 ATOM N NE . ARG P 15 31 ? 10.190 -35.147 -98.290 1.00 70.42 ? 39 ARG U NE 1 ? ? +22081 ATOM C CZ . ARG P 15 31 ? 9.943 -36.264 -97.613 1.00 70.61 ? 39 ARG U CZ 1 ? ? +22082 ATOM N NH1 . ARG P 15 31 ? 10.883 -37.177 -97.400 1.00 70.39 ? 39 ARG U NH1 1 ? ? +22083 ATOM N NH2 . ARG P 15 31 ? 8.708 -36.491 -97.172 1.00 71.01 ? 39 ARG U NH2 1 ? ? +22084 ATOM C C . ARG P 15 31 ? 13.447 -31.535 -96.190 1.00 65.10 ? 39 ARG U C 1 ? ? +22085 ATOM O O . ARG P 15 31 ? 13.216 -30.450 -96.712 1.00 65.23 ? 39 ARG U O 1 ? ? +22086 ATOM N N . GLY P 15 32 ? 14.670 -32.065 -96.096 1.00 64.28 ? 40 GLY U N 1 ? ? +22087 ATOM C CA . GLY P 15 32 ? 15.785 -31.581 -96.890 1.00 64.30 ? 40 GLY U CA 1 ? ? +22088 ATOM C C . GLY P 15 32 ? 16.536 -30.365 -96.355 1.00 63.53 ? 40 GLY U C 1 ? ? +22089 ATOM O O . GLY P 15 32 ? 17.420 -29.848 -97.036 1.00 64.12 ? 40 GLY U O 1 ? ? +22090 ATOM N N . LEU P 15 33 ? 16.193 -29.923 -95.140 1.00 62.29 ? 41 LEU U N 1 ? ? +22091 ATOM C CA . LEU P 15 33 ? 16.765 -28.708 -94.583 1.00 61.73 ? 41 LEU U CA 1 ? ? +22092 ATOM C CB . LEU P 15 33 ? 15.691 -27.954 -93.810 1.00 61.45 ? 41 LEU U CB 1 ? ? +22093 ATOM C CG . LEU P 15 33 ? 14.494 -27.428 -94.599 1.00 62.02 ? 41 LEU U CG 1 ? ? +22094 ATOM C CD1 . LEU P 15 33 ? 13.539 -26.682 -93.689 1.00 61.57 ? 41 LEU U CD1 1 ? ? +22095 ATOM C CD2 . LEU P 15 33 ? 14.920 -26.524 -95.756 1.00 62.81 ? 41 LEU U CD2 1 ? ? +22096 ATOM C C . LEU P 15 33 ? 17.952 -28.945 -93.647 1.00 60.87 ? 41 LEU U C 1 ? ? +22097 ATOM O O . LEU P 15 33 ? 18.777 -28.061 -93.465 1.00 61.03 ? 41 LEU U O 1 ? ? +22098 ATOM N N . TYR P 15 34 ? 18.034 -30.132 -93.043 1.00 60.07 ? 42 TYR U N 1 ? ? +22099 ATOM C CA . TYR P 15 34 ? 19.032 -30.429 -92.033 1.00 59.18 ? 42 TYR U CA 1 ? ? +22100 ATOM C CB . TYR P 15 34 ? 18.319 -30.713 -90.713 1.00 58.28 ? 42 TYR U CB 1 ? ? +22101 ATOM C CG . TYR P 15 34 ? 19.203 -31.026 -89.521 1.00 57.55 ? 42 TYR U CG 1 ? ? +22102 ATOM C CD1 . TYR P 15 34 ? 19.771 -32.282 -89.355 1.00 57.35 ? 42 TYR U CD1 1 ? ? +22103 ATOM C CD2 . TYR P 15 34 ? 19.440 -30.075 -88.542 1.00 57.00 ? 42 TYR U CD2 1 ? ? +22104 ATOM C CE1 . TYR P 15 34 ? 20.546 -32.578 -88.243 1.00 56.69 ? 42 TYR U CE1 1 ? ? +22105 ATOM C CE2 . TYR P 15 34 ? 20.223 -30.359 -87.434 1.00 56.33 ? 42 TYR U CE2 1 ? ? +22106 ATOM C CZ . TYR P 15 34 ? 20.764 -31.612 -87.285 1.00 56.24 ? 42 TYR U CZ 1 ? ? +22107 ATOM O OH . TYR P 15 34 ? 21.511 -31.864 -86.171 1.00 55.88 ? 42 TYR U OH 1 ? ? +22108 ATOM C C . TYR P 15 34 ? 19.890 -31.618 -92.455 1.00 59.38 ? 42 TYR U C 1 ? ? +22109 ATOM O O . TYR P 15 34 ? 19.374 -32.602 -92.969 1.00 59.63 ? 42 TYR U O 1 ? ? +22110 ATOM N N . PRO P 15 35 ? 21.225 -31.597 -92.240 1.00 59.33 ? 43 PRO U N 1 ? ? +22111 ATOM C CA . PRO P 15 35 ? 21.917 -30.466 -91.621 1.00 59.12 ? 43 PRO U CA 1 ? ? +22112 ATOM C CB . PRO P 15 35 ? 23.112 -31.165 -90.958 1.00 58.80 ? 43 PRO U CB 1 ? ? +22113 ATOM C CG . PRO P 15 35 ? 23.455 -32.283 -91.895 1.00 59.24 ? 43 PRO U CG 1 ? ? +22114 ATOM C CD . PRO P 15 35 ? 22.139 -32.718 -92.525 1.00 59.49 ? 43 PRO U CD 1 ? ? +22115 ATOM C C . PRO P 15 35 ? 22.413 -29.353 -92.546 1.00 59.78 ? 43 PRO U C 1 ? ? +22116 ATOM O O . PRO P 15 35 ? 22.683 -28.262 -92.065 1.00 59.56 ? 43 PRO U O 1 ? ? +22117 ATOM N N . THR P 15 36 ? 22.533 -29.619 -93.855 1.00 60.68 ? 44 THR U N 1 ? ? +22118 ATOM C CA . THR P 15 36 ? 23.334 -28.776 -94.731 1.00 61.38 ? 44 THR U CA 1 ? ? +22119 ATOM C CB . THR P 15 36 ? 23.502 -29.393 -96.120 1.00 62.14 ? 44 THR U CB 1 ? ? +22120 ATOM O OG1 . THR P 15 36 ? 23.884 -30.752 -95.990 1.00 62.04 ? 44 THR U OG1 1 ? ? +22121 ATOM C CG2 . THR P 15 36 ? 24.538 -28.672 -96.952 1.00 62.76 ? 44 THR U CG2 1 ? ? +22122 ATOM C C . THR P 15 36 ? 22.773 -27.361 -94.856 1.00 61.67 ? 44 THR U C 1 ? ? +22123 ATOM O O . THR P 15 36 ? 23.492 -26.394 -94.609 1.00 61.85 ? 44 THR U O 1 ? ? +22124 ATOM N N . LEU P 15 37 ? 21.494 -27.235 -95.238 1.00 61.82 ? 45 LEU U N 1 ? ? +22125 ATOM C CA . LEU P 15 37 ? 20.897 -25.921 -95.413 1.00 61.87 ? 45 LEU U CA 1 ? ? +22126 ATOM C CB . LEU P 15 37 ? 19.516 -25.997 -96.060 1.00 62.20 ? 45 LEU U CB 1 ? ? +22127 ATOM C CG . LEU P 15 37 ? 19.354 -25.710 -97.553 1.00 63.08 ? 45 LEU U CG 1 ? ? +22128 ATOM C CD1 . LEU P 15 37 ? 20.284 -24.624 -98.031 1.00 63.51 ? 45 LEU U CD1 1 ? ? +22129 ATOM C CD2 . LEU P 15 37 ? 19.510 -26.954 -98.356 1.00 63.60 ? 45 LEU U CD2 1 ? ? +22130 ATOM C C . LEU P 15 37 ? 20.776 -25.198 -94.076 1.00 61.18 ? 45 LEU U C 1 ? ? +22131 ATOM O O . LEU P 15 37 ? 20.974 -23.990 -94.008 1.00 61.43 ? 45 LEU U O 1 ? ? +22132 ATOM N N . ALA P 15 38 ? 20.431 -25.940 -93.021 1.00 60.60 ? 46 ALA U N 1 ? ? +22133 ATOM C CA . ALA P 15 38 ? 20.297 -25.371 -91.690 1.00 60.00 ? 46 ALA U CA 1 ? ? +22134 ATOM C CB . ALA P 15 38 ? 19.922 -26.458 -90.701 1.00 59.33 ? 46 ALA U CB 1 ? ? +22135 ATOM C C . ALA P 15 38 ? 21.589 -24.683 -91.249 1.00 60.06 ? 46 ALA U C 1 ? ? +22136 ATOM O O . ALA P 15 38 ? 21.560 -23.588 -90.696 1.00 59.96 ? 46 ALA U O 1 ? ? +22137 ATOM N N . LYS P 15 39 ? 22.719 -25.347 -91.497 1.00 60.31 ? 47 LYS U N 1 ? ? +22138 ATOM C CA . LYS P 15 39 ? 24.021 -24.811 -91.163 1.00 60.51 ? 47 LYS U CA 1 ? ? +22139 ATOM C CB . LYS P 15 39 ? 25.112 -25.830 -91.509 1.00 60.98 ? 47 LYS U CB 1 ? ? +22140 ATOM C CG . LYS P 15 39 ? 26.499 -25.269 -91.398 1.00 61.40 ? 47 LYS U CG 1 ? ? +22141 ATOM C CD . LYS P 15 39 ? 27.565 -26.284 -91.719 1.00 61.88 ? 47 LYS U CD 1 ? ? +22142 ATOM C CE . LYS P 15 39 ? 28.930 -25.744 -91.390 1.00 62.29 ? 47 LYS U CE 1 ? ? +22143 ATOM N NZ . LYS P 15 39 ? 30.027 -26.718 -91.725 1.00 62.86 ? 47 LYS U NZ 1 ? ? +22144 ATOM C C . LYS P 15 39 ? 24.257 -23.489 -91.887 1.00 61.06 ? 47 LYS U C 1 ? ? +22145 ATOM O O . LYS P 15 39 ? 24.659 -22.507 -91.262 1.00 60.89 ? 47 LYS U O 1 ? ? +22146 ATOM N N . LEU P 15 40 ? 23.980 -23.470 -93.198 1.00 61.73 ? 48 LEU U N 1 ? ? +22147 ATOM C CA . LEU P 15 40 ? 24.149 -22.272 -94.004 1.00 62.29 ? 48 LEU U CA 1 ? ? +22148 ATOM C CB . LEU P 15 40 ? 23.907 -22.588 -95.489 1.00 63.02 ? 48 LEU U CB 1 ? ? +22149 ATOM C CG . LEU P 15 40 ? 24.979 -23.438 -96.164 1.00 63.40 ? 48 LEU U CG 1 ? ? +22150 ATOM C CD1 . LEU P 15 40 ? 24.670 -23.627 -97.620 1.00 64.15 ? 48 LEU U CD1 1 ? ? +22151 ATOM C CD2 . LEU P 15 40 ? 26.374 -22.829 -95.983 1.00 63.56 ? 48 LEU U CD2 1 ? ? +22152 ATOM C C . LEU P 15 40 ? 23.225 -21.148 -93.549 1.00 62.17 ? 48 LEU U C 1 ? ? +22153 ATOM O O . LEU P 15 40 ? 23.658 -20.004 -93.451 1.00 62.33 ? 48 LEU U O 1 ? ? +22154 ATOM N N . ILE P 15 41 ? 21.964 -21.483 -93.249 1.00 61.94 ? 49 ILE U N 1 ? ? +22155 ATOM C CA . ILE P 15 41 ? 20.996 -20.493 -92.811 1.00 61.82 ? 49 ILE U CA 1 ? ? +22156 ATOM C CB . ILE P 15 41 ? 19.577 -21.117 -92.653 1.00 61.45 ? 49 ILE U CB 1 ? ? +22157 ATOM C CG1 . ILE P 15 41 ? 19.016 -21.531 -94.007 1.00 62.14 ? 49 ILE U CG1 1 ? ? +22158 ATOM C CG2 . ILE P 15 41 ? 18.602 -20.165 -91.935 1.00 61.00 ? 49 ILE U CG2 1 ? ? +22159 ATOM C CD1 . ILE P 15 41 ? 17.896 -22.502 -93.943 1.00 62.08 ? 49 ILE U CD1 1 ? ? +22160 ATOM C C . ILE P 15 41 ? 21.447 -19.810 -91.523 1.00 61.45 ? 49 ILE U C 1 ? ? +22161 ATOM O O . ILE P 15 41 ? 21.361 -18.592 -91.415 1.00 61.57 ? 49 ILE U O 1 ? ? +22162 ATOM N N . VAL P 15 42 ? 21.898 -20.602 -90.546 1.00 61.16 ? 50 VAL U N 1 ? ? +22163 ATOM C CA . VAL P 15 42 ? 22.269 -20.067 -89.247 1.00 60.90 ? 50 VAL U CA 1 ? ? +22164 ATOM C CB . VAL P 15 42 ? 22.339 -21.186 -88.190 1.00 59.95 ? 50 VAL U CB 1 ? ? +22165 ATOM C CG1 . VAL P 15 42 ? 22.894 -20.669 -86.866 1.00 59.25 ? 50 VAL U CG1 1 ? ? +22166 ATOM C CG2 . VAL P 15 42 ? 20.961 -21.809 -87.986 1.00 59.64 ? 50 VAL U CG2 1 ? ? +22167 ATOM C C . VAL P 15 42 ? 23.570 -19.274 -89.348 1.00 61.91 ? 50 VAL U C 1 ? ? +22168 ATOM O O . VAL P 15 42 ? 23.714 -18.222 -88.733 1.00 61.91 ? 50 VAL U O 1 ? ? +22169 ATOM N N . LYS P 15 43 ? 24.511 -19.775 -90.148 1.00 63.08 ? 51 LYS U N 1 ? ? +22170 ATOM C CA . LYS P 15 43 ? 25.779 -19.099 -90.330 1.00 64.06 ? 51 LYS U CA 1 ? ? +22171 ATOM C CB . LYS P 15 43 ? 26.698 -19.971 -91.198 1.00 65.36 ? 51 LYS U CB 1 ? ? +22172 ATOM C CG . LYS P 15 43 ? 28.132 -19.496 -91.295 1.00 66.47 ? 51 LYS U CG 1 ? ? +22173 ATOM C CD . LYS P 15 43 ? 28.866 -19.474 -89.952 1.00 66.86 ? 51 LYS U CD 1 ? ? +22174 ATOM C CE . LYS P 15 43 ? 29.215 -20.861 -89.443 1.00 67.04 ? 51 LYS U CE 1 ? ? +22175 ATOM N NZ . LYS P 15 43 ? 29.853 -20.791 -88.092 1.00 66.93 ? 51 LYS U NZ 1 ? ? +22176 ATOM C C . LYS P 15 43 ? 25.578 -17.709 -90.934 1.00 64.41 ? 51 LYS U C 1 ? ? +22177 ATOM O O . LYS P 15 43 ? 26.215 -16.757 -90.502 1.00 64.43 ? 51 LYS U O 1 ? ? +22178 ATOM N N . ASN P 15 44 ? 24.671 -17.588 -91.909 1.00 64.83 ? 52 ASN U N 1 ? ? +22179 ATOM C CA . ASN P 15 44 ? 24.473 -16.339 -92.634 1.00 65.40 ? 52 ASN U CA 1 ? ? +22180 ATOM C CB . ASN P 15 44 ? 24.170 -16.633 -94.094 1.00 66.10 ? 52 ASN U CB 1 ? ? +22181 ATOM C CG . ASN P 15 44 ? 25.318 -17.277 -94.800 1.00 66.74 ? 52 ASN U CG 1 ? ? +22182 ATOM O OD1 . ASN P 15 44 ? 25.245 -18.445 -95.174 1.00 66.89 ? 52 ASN U OD1 1 ? ? +22183 ATOM N ND2 . ASN P 15 44 ? 26.410 -16.552 -95.002 1.00 67.16 ? 52 ASN U ND2 1 ? ? +22184 ATOM C C . ASN P 15 44 ? 23.385 -15.410 -92.095 1.00 65.06 ? 52 ASN U C 1 ? ? +22185 ATOM O O . ASN P 15 44 ? 23.085 -14.403 -92.719 1.00 65.46 ? 52 ASN U O 1 ? ? +22186 ATOM N N . ALA P 15 45 ? 22.817 -15.732 -90.929 1.00 64.60 ? 53 ALA U N 1 ? ? +22187 ATOM C CA . ALA P 15 45 ? 21.862 -14.857 -90.266 1.00 64.60 ? 53 ALA U CA 1 ? ? +22188 ATOM C CB . ALA P 15 45 ? 21.123 -15.618 -89.160 1.00 63.84 ? 53 ALA U CB 1 ? ? +22189 ATOM C C . ALA P 15 45 ? 22.591 -13.641 -89.697 1.00 64.79 ? 53 ALA U C 1 ? ? +22190 ATOM O O . ALA P 15 45 ? 23.799 -13.692 -89.505 1.00 64.94 ? 53 ALA U O 1 ? ? +22191 ATOM N N . PRO P 15 46 ? 21.911 -12.517 -89.373 1.00 65.00 ? 54 PRO U N 1 ? ? +22192 ATOM C CA . PRO P 15 46 ? 20.459 -12.379 -89.532 1.00 65.15 ? 54 PRO U CA 1 ? ? +22193 ATOM C CB . PRO P 15 46 ? 20.118 -11.317 -88.491 1.00 64.76 ? 54 PRO U CB 1 ? ? +22194 ATOM C CG . PRO P 15 46 ? 21.363 -10.435 -88.469 1.00 65.02 ? 54 PRO U CG 1 ? ? +22195 ATOM C CD . PRO P 15 46 ? 22.529 -11.339 -88.743 1.00 64.93 ? 54 PRO U CD 1 ? ? +22196 ATOM C C . PRO P 15 46 ? 20.006 -11.934 -90.918 1.00 66.19 ? 54 PRO U C 1 ? ? +22197 ATOM O O . PRO P 15 46 ? 20.826 -11.572 -91.755 1.00 66.50 ? 54 PRO U O 1 ? ? +22198 ATOM N N . TYR P 15 47 ? 18.682 -11.962 -91.116 1.00 66.72 ? 55 TYR U N 1 ? ? +22199 ATOM C CA . TYR P 15 47 ? 18.037 -11.625 -92.371 1.00 67.68 ? 55 TYR U CA 1 ? ? +22200 ATOM C CB . TYR P 15 47 ? 17.369 -12.875 -92.983 1.00 67.26 ? 55 TYR U CB 1 ? ? +22201 ATOM C CG . TYR P 15 47 ? 18.296 -14.066 -93.116 1.00 66.61 ? 55 TYR U CG 1 ? ? +22202 ATOM C CD1 . TYR P 15 47 ? 18.436 -14.982 -92.084 1.00 65.40 ? 55 TYR U CD1 1 ? ? +22203 ATOM C CD2 . TYR P 15 47 ? 19.058 -14.256 -94.264 1.00 66.89 ? 55 TYR U CD2 1 ? ? +22204 ATOM C CE1 . TYR P 15 47 ? 19.282 -16.076 -92.204 1.00 65.10 ? 55 TYR U CE1 1 ? ? +22205 ATOM C CE2 . TYR P 15 47 ? 19.914 -15.339 -94.390 1.00 66.44 ? 55 TYR U CE2 1 ? ? +22206 ATOM C CZ . TYR P 15 47 ? 20.027 -16.246 -93.357 1.00 65.60 ? 55 TYR U CZ 1 ? ? +22207 ATOM O OH . TYR P 15 47 ? 20.876 -17.314 -93.491 1.00 65.13 ? 55 TYR U OH 1 ? ? +22208 ATOM C C . TYR P 15 47 ? 16.993 -10.547 -92.100 1.00 68.87 ? 55 TYR U C 1 ? ? +22209 ATOM O O . TYR P 15 47 ? 16.362 -10.550 -91.054 1.00 67.98 ? 55 TYR U O 1 ? ? +22210 ATOM N N . GLU P 15 48 ? 16.815 -9.624 -93.043 1.00 71.60 ? 56 GLU U N 1 ? ? +22211 ATOM C CA . GLU P 15 48 ? 15.787 -8.608 -92.913 1.00 73.52 ? 56 GLU U CA 1 ? ? +22212 ATOM C CB . GLU P 15 48 ? 16.151 -7.386 -93.742 1.00 76.45 ? 56 GLU U CB 1 ? ? +22213 ATOM C CG . GLU P 15 48 ? 17.343 -6.686 -93.132 1.00 78.30 ? 56 GLU U CG 1 ? ? +22214 ATOM C CD . GLU P 15 48 ? 17.523 -5.269 -93.608 1.00 81.57 ? 56 GLU U CD 1 ? ? +22215 ATOM O OE1 . GLU P 15 48 ? 17.906 -5.083 -94.788 1.00 83.85 ? 56 GLU U OE1 1 ? ? +22216 ATOM O OE2 . GLU P 15 48 ? 17.243 -4.347 -92.806 1.00 83.79 ? 56 GLU U OE2 1 ? ? +22217 ATOM C C . GLU P 15 48 ? 14.413 -9.136 -93.303 1.00 73.09 ? 56 GLU U C 1 ? ? +22218 ATOM O O . GLU P 15 48 ? 13.415 -8.708 -92.740 1.00 72.44 ? 56 GLU U O 1 ? ? +22219 ATOM N N . SER P 15 49 ? 14.377 -10.048 -94.276 1.00 73.39 ? 57 SER U N 1 ? ? +22220 ATOM C CA . SER P 15 49 ? 13.145 -10.715 -94.652 1.00 73.89 ? 57 SER U CA 1 ? ? +22221 ATOM C CB . SER P 15 49 ? 12.482 -10.007 -95.823 1.00 75.26 ? 57 SER U CB 1 ? ? +22222 ATOM O OG . SER P 15 49 ? 13.226 -10.231 -97.010 1.00 76.63 ? 57 SER U OG 1 ? ? +22223 ATOM C C . SER P 15 49 ? 13.422 -12.172 -95.005 1.00 73.84 ? 57 SER U C 1 ? ? +22224 ATOM O O . SER P 15 49 ? 14.567 -12.551 -95.236 1.00 73.93 ? 57 SER U O 1 ? ? +22225 ATOM N N . VAL P 15 50 ? 12.348 -12.969 -95.057 1.00 73.84 ? 58 VAL U N 1 ? ? +22226 ATOM C CA . VAL P 15 50 ? 12.445 -14.404 -95.273 1.00 73.53 ? 58 VAL U CA 1 ? ? +22227 ATOM C CB . VAL P 15 50 ? 11.049 -15.060 -95.173 1.00 73.22 ? 58 VAL U CB 1 ? ? +22228 ATOM C CG1 . VAL P 15 50 ? 11.099 -16.541 -95.512 1.00 73.25 ? 58 VAL U CG1 1 ? ? +22229 ATOM C CG2 . VAL P 15 50 ? 10.447 -14.859 -93.787 1.00 72.58 ? 58 VAL U CG2 1 ? ? +22230 ATOM C C . VAL P 15 50 ? 13.128 -14.710 -96.603 1.00 74.53 ? 58 VAL U C 1 ? ? +22231 ATOM O O . VAL P 15 50 ? 13.982 -15.594 -96.668 1.00 74.72 ? 58 VAL U O 1 ? ? +22232 ATOM N N . GLU P 15 51 ? 12.766 -13.949 -97.645 1.00 75.52 ? 59 GLU U N 1 ? ? +22233 ATOM C CA . GLU P 15 51 ? 13.272 -14.172 -98.991 1.00 76.49 ? 59 GLU U CA 1 ? ? +22234 ATOM C CB . GLU P 15 51 ? 12.592 -13.227 -100.008 1.00 78.63 ? 59 GLU U CB 1 ? ? +22235 ATOM C CG . GLU P 15 51 ? 11.099 -13.380 -100.141 1.00 80.58 ? 59 GLU U CG 1 ? ? +22236 ATOM C CD . GLU P 15 51 ? 10.267 -12.547 -99.180 1.00 82.74 ? 59 GLU U CD 1 ? ? +22237 ATOM O OE1 . GLU P 15 51 ? 10.755 -12.261 -98.062 1.00 83.14 ? 59 GLU U OE1 1 ? ? +22238 ATOM O OE2 . GLU P 15 51 ? 9.136 -12.153 -99.560 1.00 85.38 ? 59 GLU U OE2 1 ? ? +22239 ATOM C C . GLU P 15 51 ? 14.783 -13.991 -99.124 1.00 75.13 ? 59 GLU U C 1 ? ? +22240 ATOM O O . GLU P 15 51 ? 15.373 -14.508 -100.069 1.00 75.08 ? 59 GLU U O 1 ? ? +22241 ATOM N N . ASP P 15 52 ? 15.397 -13.249 -98.191 1.00 73.83 ? 60 ASP U N 1 ? ? +22242 ATOM C CA . ASP P 15 52 ? 16.832 -13.015 -98.223 1.00 73.66 ? 60 ASP U CA 1 ? ? +22243 ATOM C CB . ASP P 15 52 ? 17.274 -12.085 -97.089 1.00 73.14 ? 60 ASP U CB 1 ? ? +22244 ATOM C CG . ASP P 15 52 ? 16.852 -10.648 -97.228 1.00 73.45 ? 60 ASP U CG 1 ? ? +22245 ATOM O OD1 . ASP P 15 52 ? 16.461 -10.251 -98.338 1.00 74.45 ? 60 ASP U OD1 1 ? ? +22246 ATOM O OD2 . ASP P 15 52 ? 16.905 -9.920 -96.221 1.00 73.03 ? 60 ASP U OD2 1 ? ? +22247 ATOM C C . ASP P 15 52 ? 17.628 -14.311 -98.120 1.00 73.09 ? 60 ASP U C 1 ? ? +22248 ATOM O O . ASP P 15 52 ? 18.778 -14.363 -98.541 1.00 73.38 ? 60 ASP U O 1 ? ? +22249 ATOM N N . VAL P 15 53 ? 17.010 -15.354 -97.558 1.00 72.57 ? 61 VAL U N 1 ? ? +22250 ATOM C CA . VAL P 15 53 ? 17.663 -16.644 -97.417 1.00 71.86 ? 61 VAL U CA 1 ? ? +22251 ATOM C CB . VAL P 15 53 ? 16.742 -17.619 -96.637 1.00 70.84 ? 61 VAL U CB 1 ? ? +22252 ATOM C CG1 . VAL P 15 53 ? 15.633 -18.167 -97.525 1.00 71.17 ? 61 VAL U CG1 1 ? ? +22253 ATOM C CG2 . VAL P 15 53 ? 17.542 -18.747 -96.028 1.00 70.26 ? 61 VAL U CG2 1 ? ? +22254 ATOM C C . VAL P 15 53 ? 18.086 -17.208 -98.774 1.00 72.76 ? 61 VAL U C 1 ? ? +22255 ATOM O O . VAL P 15 53 ? 19.036 -17.981 -98.855 1.00 72.42 ? 61 VAL U O 1 ? ? +22256 ATOM N N . LEU P 15 54 ? 17.371 -16.818 -99.840 1.00 73.88 ? 62 LEU U N 1 ? ? +22257 ATOM C CA . LEU P 15 54 ? 17.675 -17.262 -101.192 1.00 75.10 ? 62 LEU U CA 1 ? ? +22258 ATOM C CB . LEU P 15 54 ? 16.495 -16.924 -102.112 1.00 75.63 ? 62 LEU U CB 1 ? ? +22259 ATOM C CG . LEU P 15 54 ? 15.244 -17.774 -101.853 1.00 75.50 ? 62 LEU U CG 1 ? ? +22260 ATOM C CD1 . LEU P 15 54 ? 14.013 -17.227 -102.568 1.00 75.87 ? 62 LEU U CD1 1 ? ? +22261 ATOM C CD2 . LEU P 15 54 ? 15.497 -19.199 -102.274 1.00 75.49 ? 62 LEU U CD2 1 ? ? +22262 ATOM C C . LEU P 15 54 ? 18.950 -16.654 -101.764 1.00 76.44 ? 62 LEU U C 1 ? ? +22263 ATOM O O . LEU P 15 54 ? 19.438 -17.115 -102.792 1.00 77.57 ? 62 LEU U O 1 ? ? +22264 ATOM N N . ASN P 15 55 ? 19.480 -15.628 -101.092 1.00 77.01 ? 63 ASN U N 1 ? ? +22265 ATOM C CA . ASN P 15 55 ? 20.685 -14.945 -101.533 1.00 78.15 ? 63 ASN U CA 1 ? ? +22266 ATOM C CB . ASN P 15 55 ? 20.563 -13.442 -101.285 1.00 78.64 ? 63 ASN U CB 1 ? ? +22267 ATOM C CG . ASN P 15 55 ? 19.512 -12.786 -102.122 1.00 79.58 ? 63 ASN U CG 1 ? ? +22268 ATOM O OD1 . ASN P 15 55 ? 19.149 -13.260 -103.204 1.00 80.44 ? 63 ASN U OD1 1 ? ? +22269 ATOM N ND2 . ASN P 15 55 ? 19.012 -11.668 -101.633 1.00 79.90 ? 63 ASN U ND2 1 ? ? +22270 ATOM C C . ASN P 15 55 ? 21.954 -15.443 -100.851 1.00 78.06 ? 63 ASN U C 1 ? ? +22271 ATOM O O . ASN P 15 55 ? 23.003 -14.824 -100.995 1.00 79.22 ? 63 ASN U O 1 ? ? +22272 ATOM N N . ILE P 15 56 ? 21.868 -16.555 -100.115 1.00 77.24 ? 64 ILE U N 1 ? ? +22273 ATOM C CA . ILE P 15 56 ? 23.054 -17.129 -99.506 1.00 76.99 ? 64 ILE U CA 1 ? ? +22274 ATOM C CB . ILE P 15 56 ? 22.718 -18.312 -98.593 1.00 75.77 ? 64 ILE U CB 1 ? ? +22275 ATOM C CG1 . ILE P 15 56 ? 21.943 -17.814 -97.370 1.00 74.78 ? 64 ILE U CG1 1 ? ? +22276 ATOM C CG2 . ILE P 15 56 ? 23.984 -19.072 -98.187 1.00 75.66 ? 64 ILE U CG2 1 ? ? +22277 ATOM C CD1 . ILE P 15 56 ? 21.374 -18.867 -96.556 1.00 74.20 ? 64 ILE U CD1 1 ? ? +22278 ATOM C C . ILE P 15 56 ? 24.031 -17.505 -100.616 1.00 78.39 ? 64 ILE U C 1 ? ? +22279 ATOM O O . ILE P 15 56 ? 23.659 -18.207 -101.551 1.00 78.96 ? 64 ILE U O 1 ? ? +22280 ATOM N N . PRO P 15 57 ? 25.292 -17.013 -100.583 1.00 79.81 ? 65 PRO U N 1 ? ? +22281 ATOM C CA . PRO P 15 57 ? 26.259 -17.325 -101.638 1.00 80.83 ? 65 PRO U CA 1 ? ? +22282 ATOM C CB . PRO P 15 57 ? 27.509 -16.534 -101.221 1.00 81.13 ? 65 PRO U CB 1 ? ? +22283 ATOM C CG . PRO P 15 57 ? 27.009 -15.473 -100.279 1.00 80.62 ? 65 PRO U CG 1 ? ? +22284 ATOM C CD . PRO P 15 57 ? 25.833 -16.081 -99.576 1.00 79.65 ? 65 PRO U CD 1 ? ? +22285 ATOM C C . PRO P 15 57 ? 26.564 -18.814 -101.740 1.00 80.73 ? 65 PRO U C 1 ? ? +22286 ATOM O O . PRO P 15 57 ? 26.702 -19.489 -100.722 1.00 80.37 ? 65 PRO U O 1 ? ? +22287 ATOM N N . GLY P 15 58 ? 26.656 -19.305 -102.981 1.00 81.64 ? 66 GLY U N 1 ? ? +22288 ATOM C CA . GLY P 15 58 ? 27.137 -20.650 -103.257 1.00 81.68 ? 66 GLY U CA 1 ? ? +22289 ATOM C C . GLY P 15 58 ? 26.081 -21.753 -103.208 1.00 81.35 ? 66 GLY U C 1 ? ? +22290 ATOM O O . GLY P 15 58 ? 26.426 -22.927 -103.315 1.00 81.78 ? 66 GLY U O 1 ? ? +22291 ATOM N N . LEU P 15 59 ? 24.807 -21.375 -103.030 1.00 81.10 ? 67 LEU U N 1 ? ? +22292 ATOM C CA . LEU P 15 59 ? 23.718 -22.337 -103.032 1.00 80.84 ? 67 LEU U CA 1 ? ? +22293 ATOM C CB . LEU P 15 59 ? 22.383 -21.651 -102.740 1.00 80.50 ? 67 LEU U CB 1 ? ? +22294 ATOM C CG . LEU P 15 59 ? 22.156 -21.188 -101.319 1.00 79.56 ? 67 LEU U CG 1 ? ? +22295 ATOM C CD1 . LEU P 15 59 ? 20.881 -20.328 -101.223 1.00 79.44 ? 67 LEU U CD1 1 ? ? +22296 ATOM C CD2 . LEU P 15 59 ? 22.075 -22.357 -100.358 1.00 78.71 ? 67 LEU U CD2 1 ? ? +22297 ATOM C C . LEU P 15 59 ? 23.637 -23.011 -104.397 1.00 81.74 ? 67 LEU U C 1 ? ? +22298 ATOM O O . LEU P 15 59 ? 23.833 -22.357 -105.415 1.00 82.76 ? 67 LEU U O 1 ? ? +22299 ATOM N N . THR P 15 60 ? 23.337 -24.315 -104.411 1.00 81.99 ? 68 THR U N 1 ? ? +22300 ATOM C CA . THR P 15 60 ? 23.043 -25.009 -105.653 1.00 83.07 ? 68 THR U CA 1 ? ? +22301 ATOM C CB . THR P 15 60 ? 23.251 -26.517 -105.508 1.00 82.49 ? 68 THR U CB 1 ? ? +22302 ATOM O OG1 . THR P 15 60 ? 22.264 -27.041 -104.625 1.00 82.10 ? 68 THR U OG1 1 ? ? +22303 ATOM C CG2 . THR P 15 60 ? 24.639 -26.866 -104.991 1.00 81.79 ? 68 THR U CG2 1 ? ? +22304 ATOM C C . THR P 15 60 ? 21.618 -24.648 -106.064 1.00 84.43 ? 68 THR U C 1 ? ? +22305 ATOM O O . THR P 15 60 ? 20.883 -24.017 -105.300 1.00 84.33 ? 68 THR U O 1 ? ? +22306 ATOM N N . GLU P 15 61 ? 21.239 -25.038 -107.284 1.00 86.38 ? 69 GLU U N 1 ? ? +22307 ATOM C CA . GLU P 15 61 ? 19.897 -24.780 -107.777 1.00 87.99 ? 69 GLU U CA 1 ? ? +22308 ATOM C CB . GLU P 15 61 ? 19.822 -25.050 -109.286 1.00 90.67 ? 69 GLU U CB 1 ? ? +22309 ATOM C CG . GLU P 15 61 ? 20.658 -24.092 -110.116 1.00 92.80 ? 69 GLU U CG 1 ? ? +22310 ATOM C CD . GLU P 15 61 ? 20.380 -22.635 -109.815 1.00 94.95 ? 69 GLU U CD 1 ? ? +22311 ATOM O OE1 . GLU P 15 61 ? 19.186 -22.263 -109.716 1.00 96.79 ? 69 GLU U OE1 1 ? ? +22312 ATOM O OE2 . GLU P 15 61 ? 21.357 -21.867 -109.666 1.00 96.20 ? 69 GLU U OE2 1 ? ? +22313 ATOM C C . GLU P 15 61 ? 18.863 -25.606 -107.015 1.00 87.27 ? 69 GLU U C 1 ? ? +22314 ATOM O O . GLU P 15 61 ? 17.770 -25.125 -106.741 1.00 85.97 ? 69 GLU U O 1 ? ? +22315 ATOM N N . ARG P 15 62 ? 19.230 -26.841 -106.658 1.00 87.24 ? 70 ARG U N 1 ? ? +22316 ATOM C CA . ARG P 15 62 ? 18.358 -27.712 -105.889 1.00 86.97 ? 70 ARG U CA 1 ? ? +22317 ATOM C CB . ARG P 15 62 ? 18.968 -29.120 -105.796 1.00 89.52 ? 70 ARG U CB 1 ? ? +22318 ATOM C CG . ARG P 15 62 ? 18.057 -30.128 -105.104 1.00 92.41 ? 70 ARG U CG 1 ? ? +22319 ATOM C CD . ARG P 15 62 ? 18.675 -31.514 -105.010 1.00 95.78 ? 70 ARG U CD 1 ? ? +22320 ATOM N NE . ARG P 15 62 ? 17.789 -32.437 -104.299 1.00 98.79 ? 70 ARG U NE 1 ? ? +22321 ATOM C CZ . ARG P 15 62 ? 17.966 -32.868 -103.052 1.00 99.52 ? 70 ARG U CZ 1 ? ? +22322 ATOM N NH1 . ARG P 15 62 ? 19.024 -32.511 -102.336 1.00 100.65 ? 70 ARG U NH1 1 ? ? +22323 ATOM N NH2 . ARG P 15 62 ? 17.054 -33.674 -102.511 1.00 98.08 ? 70 ARG U NH2 1 ? ? +22324 ATOM C C . ARG P 15 62 ? 18.111 -27.142 -104.494 1.00 84.05 ? 70 ARG U C 1 ? ? +22325 ATOM O O . ARG P 15 62 ? 17.003 -27.237 -103.968 1.00 83.63 ? 70 ARG U O 1 ? ? +22326 ATOM N N . GLN P 15 63 ? 19.148 -26.543 -103.898 1.00 81.49 ? 71 GLN U N 1 ? ? +22327 ATOM C CA . GLN P 15 63 ? 19.022 -25.953 -102.577 1.00 79.10 ? 71 GLN U CA 1 ? ? +22328 ATOM C CB . GLN P 15 63 ? 20.395 -25.535 -102.039 1.00 78.20 ? 71 GLN U CB 1 ? ? +22329 ATOM C CG . GLN P 15 63 ? 21.269 -26.741 -101.705 1.00 77.33 ? 71 GLN U CG 1 ? ? +22330 ATOM C CD . GLN P 15 63 ? 22.649 -26.370 -101.276 1.00 76.53 ? 71 GLN U CD 1 ? ? +22331 ATOM O OE1 . GLN P 15 63 ? 23.292 -25.504 -101.865 1.00 77.15 ? 71 GLN U OE1 1 ? ? +22332 ATOM N NE2 . GLN P 15 63 ? 23.130 -27.021 -100.242 1.00 75.75 ? 71 GLN U NE2 1 ? ? +22333 ATOM C C . GLN P 15 63 ? 18.054 -24.774 -102.601 1.00 79.20 ? 71 GLN U C 1 ? ? +22334 ATOM O O . GLN P 15 63 ? 17.225 -24.634 -101.702 1.00 79.50 ? 71 GLN U O 1 ? ? +22335 ATOM N N . LYS P 15 64 ? 18.153 -23.938 -103.641 1.00 79.70 ? 72 LYS U N 1 ? ? +22336 ATOM C CA . LYS P 15 64 ? 17.239 -22.820 -103.805 1.00 79.50 ? 72 LYS U CA 1 ? ? +22337 ATOM C CB . LYS P 15 64 ? 17.639 -21.968 -105.010 1.00 81.31 ? 72 LYS U CB 1 ? ? +22338 ATOM C CG . LYS P 15 64 ? 18.931 -21.193 -104.838 1.00 82.18 ? 72 LYS U CG 1 ? ? +22339 ATOM C CD . LYS P 15 64 ? 19.313 -20.487 -106.134 1.00 84.09 ? 72 LYS U CD 1 ? ? +22340 ATOM C CE . LYS P 15 64 ? 20.682 -19.849 -106.083 1.00 85.07 ? 72 LYS U CE 1 ? ? +22341 ATOM N NZ . LYS P 15 64 ? 21.223 -19.608 -107.444 1.00 86.47 ? 72 LYS U NZ 1 ? ? +22342 ATOM C C . LYS P 15 64 ? 15.797 -23.289 -103.972 1.00 78.56 ? 72 LYS U C 1 ? ? +22343 ATOM O O . LYS P 15 64 ? 14.874 -22.605 -103.544 1.00 78.74 ? 72 LYS U O 1 ? ? +22344 ATOM N N . GLN P 15 65 ? 15.611 -24.449 -104.613 1.00 78.17 ? 73 GLN U N 1 ? ? +22345 ATOM C CA . GLN P 15 65 ? 14.290 -25.025 -104.807 1.00 77.80 ? 73 GLN U CA 1 ? ? +22346 ATOM C CB . GLN P 15 65 ? 14.345 -26.224 -105.758 1.00 78.79 ? 73 GLN U CB 1 ? ? +22347 ATOM C CG . GLN P 15 65 ? 13.259 -26.220 -106.835 1.00 80.16 ? 73 GLN U CG 1 ? ? +22348 ATOM C CD . GLN P 15 65 ? 13.548 -27.299 -107.861 1.00 81.61 ? 73 GLN U CD 1 ? ? +22349 ATOM O OE1 . GLN P 15 65 ? 13.841 -28.445 -107.497 1.00 81.56 ? 73 GLN U OE1 1 ? ? +22350 ATOM N NE2 . GLN P 15 65 ? 13.512 -26.972 -109.165 1.00 82.93 ? 73 GLN U NE2 1 ? ? +22351 ATOM C C . GLN P 15 65 ? 13.707 -25.456 -103.467 1.00 76.24 ? 73 GLN U C 1 ? ? +22352 ATOM O O . GLN P 15 65 ? 12.554 -25.154 -103.172 1.00 76.39 ? 73 GLN U O 1 ? ? +22353 ATOM N N . ILE P 15 66 ? 14.520 -26.151 -102.661 1.00 74.86 ? 74 ILE U N 1 ? ? +22354 ATOM C CA . ILE P 15 66 ? 14.101 -26.590 -101.339 1.00 73.35 ? 74 ILE U CA 1 ? ? +22355 ATOM C CB . ILE P 15 66 ? 15.183 -27.474 -100.683 1.00 72.47 ? 74 ILE U CB 1 ? ? +22356 ATOM C CG1 . ILE P 15 66 ? 15.306 -28.806 -101.444 1.00 72.90 ? 74 ILE U CG1 1 ? ? +22357 ATOM C CG2 . ILE P 15 66 ? 14.904 -27.685 -99.194 1.00 71.48 ? 74 ILE U CG2 1 ? ? +22358 ATOM C CD1 . ILE P 15 66 ? 16.339 -29.761 -100.916 1.00 72.57 ? 74 ILE U CD1 1 ? ? +22359 ATOM C C . ILE P 15 66 ? 13.728 -25.401 -100.457 1.00 72.85 ? 74 ILE U C 1 ? ? +22360 ATOM O O . ILE P 15 66 ? 12.733 -25.458 -99.732 1.00 72.32 ? 74 ILE U O 1 ? ? +22361 ATOM N N . LEU P 15 67 ? 14.528 -24.330 -100.527 1.00 72.78 ? 75 LEU U N 1 ? ? +22362 ATOM C CA . LEU P 15 67 ? 14.257 -23.138 -99.742 1.00 72.20 ? 75 LEU U CA 1 ? ? +22363 ATOM C CB . LEU P 15 67 ? 15.420 -22.153 -99.854 1.00 71.81 ? 75 LEU U CB 1 ? ? +22364 ATOM C CG . LEU P 15 67 ? 16.702 -22.556 -99.132 1.00 70.80 ? 75 LEU U CG 1 ? ? +22365 ATOM C CD1 . LEU P 15 67 ? 17.830 -21.601 -99.429 1.00 70.99 ? 75 LEU U CD1 1 ? ? +22366 ATOM C CD2 . LEU P 15 67 ? 16.505 -22.611 -97.648 1.00 69.83 ? 75 LEU U CD2 1 ? ? +22367 ATOM C C . LEU P 15 67 ? 12.944 -22.485 -100.168 1.00 73.08 ? 75 LEU U C 1 ? ? +22368 ATOM O O . LEU P 15 67 ? 12.172 -22.049 -99.314 1.00 73.05 ? 75 LEU U O 1 ? ? +22369 ATOM N N . ARG P 15 68 ? 12.685 -22.441 -101.481 1.00 74.76 ? 76 ARG U N 1 ? ? +22370 ATOM C CA . ARG P 15 68 ? 11.445 -21.872 -101.992 1.00 76.51 ? 76 ARG U CA 1 ? ? +22371 ATOM C CB . ARG P 15 68 ? 11.465 -21.801 -103.536 1.00 78.31 ? 76 ARG U CB 1 ? ? +22372 ATOM C CG . ARG P 15 68 ? 12.080 -20.521 -104.089 1.00 79.74 ? 76 ARG U CG 1 ? ? +22373 ATOM C CD . ARG P 15 68 ? 11.737 -20.320 -105.555 1.00 81.53 ? 76 ARG U CD 1 ? ? +22374 ATOM N NE . ARG P 15 68 ? 12.571 -21.143 -106.424 1.00 83.34 ? 76 ARG U NE 1 ? ? +22375 ATOM C CZ . ARG P 15 68 ? 13.828 -20.862 -106.764 1.00 84.70 ? 76 ARG U CZ 1 ? ? +22376 ATOM N NH1 . ARG P 15 68 ? 14.438 -19.765 -106.334 1.00 84.98 ? 76 ARG U NH1 1 ? ? +22377 ATOM N NH2 . ARG P 15 68 ? 14.481 -21.687 -107.580 1.00 84.79 ? 76 ARG U NH2 1 ? ? +22378 ATOM C C . ARG P 15 68 ? 10.201 -22.631 -101.518 1.00 76.35 ? 76 ARG U C 1 ? ? +22379 ATOM O O . ARG P 15 68 ? 9.200 -22.021 -101.162 1.00 75.80 ? 76 ARG U O 1 ? ? +22380 ATOM N N . GLU P 15 69 ? 10.276 -23.965 -101.506 1.00 76.83 ? 77 GLU U N 1 ? ? +22381 ATOM C CA . GLU P 15 69 ? 9.183 -24.801 -101.034 1.00 76.79 ? 77 GLU U CA 1 ? ? +22382 ATOM C CB . GLU P 15 69 ? 9.532 -26.283 -101.156 1.00 77.69 ? 77 GLU U CB 1 ? ? +22383 ATOM C CG . GLU P 15 69 ? 9.576 -26.786 -102.587 1.00 79.31 ? 77 GLU U CG 1 ? ? +22384 ATOM C CD . GLU P 15 69 ? 9.969 -28.246 -102.699 1.00 79.90 ? 77 GLU U CD 1 ? ? +22385 ATOM O OE1 . GLU P 15 69 ? 10.223 -28.882 -101.648 1.00 78.71 ? 77 GLU U OE1 1 ? ? +22386 ATOM O OE2 . GLU P 15 69 ? 10.021 -28.753 -103.844 1.00 81.30 ? 77 GLU U OE2 1 ? ? +22387 ATOM C C . GLU P 15 69 ? 8.830 -24.547 -99.577 1.00 75.64 ? 77 GLU U C 1 ? ? +22388 ATOM O O . GLU P 15 69 ? 7.683 -24.743 -99.189 1.00 76.46 ? 77 GLU U O 1 ? ? +22389 ATOM N N . ASN P 15 70 ? 9.819 -24.117 -98.785 1.00 74.63 ? 78 ASN U N 1 ? ? +22390 ATOM C CA . ASN P 15 70 ? 9.666 -24.011 -97.344 1.00 73.58 ? 78 ASN U CA 1 ? ? +22391 ATOM C CB . ASN P 15 70 ? 10.849 -24.708 -96.679 1.00 73.10 ? 78 ASN U CB 1 ? ? +22392 ATOM C CG . ASN P 15 70 ? 10.789 -26.199 -96.799 1.00 72.80 ? 78 ASN U CG 1 ? ? +22393 ATOM O OD1 . ASN P 15 70 ? 11.597 -26.831 -97.483 1.00 73.03 ? 78 ASN U OD1 1 ? ? +22394 ATOM N ND2 . ASN P 15 70 ? 9.838 -26.800 -96.103 1.00 72.23 ? 78 ASN U ND2 1 ? ? +22395 ATOM C C . ASN P 15 70 ? 9.561 -22.592 -96.792 1.00 73.09 ? 78 ASN U C 1 ? ? +22396 ATOM O O . ASN P 15 70 ? 9.565 -22.415 -95.577 1.00 72.55 ? 78 ASN U O 1 ? ? +22397 ATOM N N . LEU P 15 71 ? 9.464 -21.585 -97.668 1.00 73.66 ? 79 LEU U N 1 ? ? +22398 ATOM C CA . LEU P 15 71 ? 9.411 -20.206 -97.208 1.00 73.71 ? 79 LEU U CA 1 ? ? +22399 ATOM C CB . LEU P 15 71 ? 9.358 -19.221 -98.383 1.00 74.49 ? 79 LEU U CB 1 ? ? +22400 ATOM C CG . LEU P 15 71 ? 10.618 -19.099 -99.236 1.00 74.86 ? 79 LEU U CG 1 ? ? +22401 ATOM C CD1 . LEU P 15 71 ? 10.447 -18.009 -100.291 1.00 75.61 ? 79 LEU U CD1 1 ? ? +22402 ATOM C CD2 . LEU P 15 71 ? 11.858 -18.840 -98.379 1.00 74.32 ? 79 LEU U CD2 1 ? ? +22403 ATOM C C . LEU P 15 71 ? 8.217 -19.966 -96.286 1.00 73.92 ? 79 LEU U C 1 ? ? +22404 ATOM O O . LEU P 15 71 ? 8.354 -19.271 -95.284 1.00 73.18 ? 79 LEU U O 1 ? ? +22405 ATOM N N . GLU P 15 72 ? 7.060 -20.549 -96.627 1.00 75.16 ? 80 GLU U N 1 ? ? +22406 ATOM C CA . GLU P 15 72 ? 5.852 -20.407 -95.822 1.00 75.69 ? 80 GLU U CA 1 ? ? +22407 ATOM C CB . GLU P 15 72 ? 4.665 -21.125 -96.488 1.00 78.88 ? 80 GLU U CB 1 ? ? +22408 ATOM C CG . GLU P 15 72 ? 4.899 -22.605 -96.763 1.00 81.92 ? 80 GLU U CG 1 ? ? +22409 ATOM C CD . GLU P 15 72 ? 3.835 -23.265 -97.629 1.00 85.75 ? 80 GLU U CD 1 ? ? +22410 ATOM O OE1 . GLU P 15 72 ? 3.590 -22.785 -98.762 1.00 89.03 ? 80 GLU U OE1 1 ? ? +22411 ATOM O OE2 . GLU P 15 72 ? 3.248 -24.272 -97.169 1.00 87.48 ? 80 GLU U OE2 1 ? ? +22412 ATOM C C . GLU P 15 72 ? 6.015 -20.899 -94.382 1.00 72.78 ? 80 GLU U C 1 ? ? +22413 ATOM O O . GLU P 15 72 ? 5.293 -20.450 -93.492 1.00 71.83 ? 80 GLU U O 1 ? ? +22414 ATOM N N . HIS P 15 73 ? 6.976 -21.804 -94.156 1.00 70.76 ? 81 HIS U N 1 ? ? +22415 ATOM C CA . HIS P 15 73 ? 7.300 -22.280 -92.818 1.00 68.73 ? 81 HIS U CA 1 ? ? +22416 ATOM C CB . HIS P 15 73 ? 7.870 -23.704 -92.874 1.00 68.80 ? 81 HIS U CB 1 ? ? +22417 ATOM C CG . HIS P 15 73 ? 6.964 -24.702 -93.524 1.00 69.65 ? 81 HIS U CG 1 ? ? +22418 ATOM N ND1 . HIS P 15 73 ? 5.659 -24.878 -93.093 1.00 69.88 ? 81 HIS U ND1 1 ? ? +22419 ATOM C CE1 . HIS P 15 73 ? 5.140 -25.809 -93.877 1.00 70.39 ? 81 HIS U CE1 1 ? ? +22420 ATOM N NE2 . HIS P 15 73 ? 6.043 -26.236 -94.775 1.00 70.84 ? 81 HIS U NE2 1 ? ? +22421 ATOM C CD2 . HIS P 15 73 ? 7.200 -25.534 -94.562 1.00 70.24 ? 81 HIS U CD2 1 ? ? +22422 ATOM C C . HIS P 15 73 ? 8.302 -21.416 -92.055 1.00 67.09 ? 81 HIS U C 1 ? ? +22423 ATOM O O . HIS P 15 73 ? 8.585 -21.709 -90.898 1.00 66.22 ? 81 HIS U O 1 ? ? +22424 ATOM N N . PHE P 15 74 ? 8.836 -20.371 -92.702 1.00 66.36 ? 82 PHE U N 1 ? ? +22425 ATOM C CA . PHE P 15 74 ? 9.832 -19.503 -92.093 1.00 65.13 ? 82 PHE U CA 1 ? ? +22426 ATOM C CB . PHE P 15 74 ? 11.006 -19.246 -93.057 1.00 65.38 ? 82 PHE U CB 1 ? ? +22427 ATOM C CG . PHE P 15 74 ? 11.785 -20.452 -93.524 1.00 65.19 ? 82 PHE U CG 1 ? ? +22428 ATOM C CD1 . PHE P 15 74 ? 11.788 -21.625 -92.792 1.00 64.55 ? 82 PHE U CD1 1 ? ? +22429 ATOM C CD2 . PHE P 15 74 ? 12.505 -20.413 -94.707 1.00 65.67 ? 82 PHE U CD2 1 ? ? +22430 ATOM C CE1 . PHE P 15 74 ? 12.510 -22.726 -93.226 1.00 64.62 ? 82 PHE U CE1 1 ? ? +22431 ATOM C CE2 . PHE P 15 74 ? 13.211 -21.522 -95.144 1.00 65.76 ? 82 PHE U CE2 1 ? ? +22432 ATOM C CZ . PHE P 15 74 ? 13.217 -22.668 -94.398 1.00 65.26 ? 82 PHE U CZ 1 ? ? +22433 ATOM C C . PHE P 15 74 ? 9.231 -18.158 -91.694 1.00 64.54 ? 82 PHE U C 1 ? ? +22434 ATOM O O . PHE P 15 74 ? 8.197 -17.754 -92.210 1.00 64.80 ? 82 PHE U O 1 ? ? +22435 ATOM N N . THR P 15 75 ? 9.908 -17.478 -90.763 1.00 63.49 ? 83 THR U N 1 ? ? +22436 ATOM C CA . THR P 15 75 ? 9.627 -16.100 -90.400 1.00 62.81 ? 83 THR U CA 1 ? ? +22437 ATOM C CB . THR P 15 75 ? 8.596 -16.048 -89.264 1.00 62.02 ? 83 THR U CB 1 ? ? +22438 ATOM O OG1 . THR P 15 75 ? 8.188 -14.708 -89.023 1.00 61.86 ? 83 THR U OG1 1 ? ? +22439 ATOM C CG2 . THR P 15 75 ? 9.128 -16.608 -87.980 1.00 61.26 ? 83 THR U CG2 1 ? ? +22440 ATOM C C . THR P 15 75 ? 10.954 -15.450 -90.015 1.00 62.25 ? 83 THR U C 1 ? ? +22441 ATOM O O . THR P 15 75 ? 11.964 -16.129 -89.887 1.00 61.80 ? 83 THR U O 1 ? ? +22442 ATOM N N . VAL P 15 76 ? 10.939 -14.130 -89.828 1.00 62.24 ? 84 VAL U N 1 ? ? +22443 ATOM C CA . VAL P 15 76 ? 12.045 -13.428 -89.202 1.00 61.92 ? 84 VAL U CA 1 ? ? +22444 ATOM C CB . VAL P 15 76 ? 12.932 -12.704 -90.233 1.00 62.71 ? 84 VAL U CB 1 ? ? +22445 ATOM C CG1 . VAL P 15 76 ? 13.627 -13.700 -91.158 1.00 63.07 ? 84 VAL U CG1 1 ? ? +22446 ATOM C CG2 . VAL P 15 76 ? 12.144 -11.686 -91.036 1.00 63.46 ? 84 VAL U CG2 1 ? ? +22447 ATOM C C . VAL P 15 76 ? 11.501 -12.452 -88.166 1.00 61.41 ? 84 VAL U C 1 ? ? +22448 ATOM O O . VAL P 15 76 ? 10.468 -11.837 -88.383 1.00 62.00 ? 84 VAL U O 1 ? ? +22449 ATOM N N . THR P 15 77 ? 12.179 -12.357 -87.021 1.00 60.66 ? 85 THR U N 1 ? ? +22450 ATOM C CA . THR P 15 77 ? 11.918 -11.330 -86.027 1.00 60.19 ? 85 THR U CA 1 ? ? +22451 ATOM C CB . THR P 15 77 ? 11.124 -11.894 -84.857 1.00 59.47 ? 85 THR U CB 1 ? ? +22452 ATOM O OG1 . THR P 15 77 ? 11.961 -12.750 -84.087 1.00 58.77 ? 85 THR U OG1 1 ? ? +22453 ATOM C CG2 . THR P 15 77 ? 9.883 -12.659 -85.303 1.00 59.58 ? 85 THR U CG2 1 ? ? +22454 ATOM C C . THR P 15 77 ? 13.268 -10.767 -85.590 1.00 60.07 ? 85 THR U C 1 ? ? +22455 ATOM O O . THR P 15 77 ? 14.310 -11.323 -85.926 1.00 60.22 ? 85 THR U O 1 ? ? +22456 ATOM N N A GLU P 15 78 ? 13.248 -9.661 -84.838 0.50 59.89 ? 86 GLU U N 1 ? ? +22457 ATOM N N B GLU P 15 78 ? 13.233 -9.660 -84.843 0.50 59.85 ? 86 GLU U N 1 ? ? +22458 ATOM C CA A GLU P 15 78 ? 14.483 -9.013 -84.424 0.50 59.80 ? 86 GLU U CA 1 ? ? +22459 ATOM C CA B GLU P 15 78 ? 14.437 -9.016 -84.345 0.50 59.67 ? 86 GLU U CA 1 ? ? +22460 ATOM C C A GLU P 15 78 ? 15.323 -10.003 -83.621 0.50 58.99 ? 86 GLU U C 1 ? ? +22461 ATOM C C B GLU P 15 78 ? 15.320 -10.023 -83.614 0.50 58.93 ? 86 GLU U C 1 ? ? +22462 ATOM O O A GLU P 15 78 ? 14.787 -10.810 -82.866 0.50 58.38 ? 86 GLU U O 1 ? ? +22463 ATOM O O B GLU P 15 78 ? 14.803 -10.850 -82.870 0.50 58.34 ? 86 GLU U O 1 ? ? +22464 ATOM C CB A GLU P 15 78 ? 14.207 -7.738 -83.606 0.50 59.88 ? 86 GLU U CB 1 ? ? +22465 ATOM C CB B GLU P 15 78 ? 14.051 -7.890 -83.378 0.50 59.58 ? 86 GLU U CB 1 ? ? +22466 ATOM C CG A GLU P 15 78 ? 13.241 -6.770 -84.276 0.50 60.70 ? 86 GLU U CG 1 ? ? +22467 ATOM C CG B GLU P 15 78 ? 13.009 -6.907 -83.915 0.50 60.28 ? 86 GLU U CG 1 ? ? +22468 ATOM C CD A GLU P 15 78 ? 13.790 -5.963 -85.438 0.50 61.65 ? 86 GLU U CD 1 ? ? +22469 ATOM C CD B GLU P 15 78 ? 11.545 -7.349 -84.008 0.50 60.35 ? 86 GLU U CD 1 ? ? +22470 ATOM O OE1 A GLU P 15 78 ? 15.017 -5.715 -85.461 0.50 61.99 ? 86 GLU U OE1 1 ? ? +22471 ATOM O OE1 B GLU P 15 78 ? 11.209 -8.518 -83.704 0.50 59.89 ? 86 GLU U OE1 1 ? ? +22472 ATOM O OE2 A GLU P 15 78 ? 12.997 -5.598 -86.338 0.50 62.29 ? 86 GLU U OE2 1 ? ? +22473 ATOM O OE2 B GLU P 15 78 ? 10.723 -6.487 -84.392 0.50 60.83 ? 86 GLU U OE2 1 ? ? +22474 ATOM N N . VAL P 15 79 ? 16.643 -9.949 -83.826 1.00 58.91 ? 87 VAL U N 1 ? ? +22475 ATOM C CA . VAL P 15 79 ? 17.574 -10.794 -83.092 1.00 58.18 ? 87 VAL U CA 1 ? ? +22476 ATOM C CB . VAL P 15 79 ? 19.043 -10.591 -83.503 1.00 58.50 ? 87 VAL U CB 1 ? ? +22477 ATOM C CG1 . VAL P 15 79 ? 20.003 -11.209 -82.500 1.00 57.88 ? 87 VAL U CG1 1 ? ? +22478 ATOM C CG2 . VAL P 15 79 ? 19.303 -11.143 -84.885 1.00 59.16 ? 87 VAL U CG2 1 ? ? +22479 ATOM C C . VAL P 15 79 ? 17.396 -10.540 -81.600 1.00 57.34 ? 87 VAL U C 1 ? ? +22480 ATOM O O . VAL P 15 79 ? 17.466 -9.400 -81.163 1.00 57.47 ? 87 VAL U O 1 ? ? +22481 ATOM N N . GLU P 15 80 ? 17.153 -11.610 -80.836 1.00 56.62 ? 88 GLU U N 1 ? ? +22482 ATOM C CA . GLU P 15 80 ? 17.087 -11.541 -79.388 1.00 55.89 ? 88 GLU U CA 1 ? ? +22483 ATOM C CB . GLU P 15 80 ? 15.873 -12.321 -78.876 1.00 55.50 ? 88 GLU U CB 1 ? ? +22484 ATOM C CG . GLU P 15 80 ? 15.798 -12.425 -77.372 1.00 54.92 ? 88 GLU U CG 1 ? ? +22485 ATOM C CD . GLU P 15 80 ? 15.999 -11.105 -76.658 1.00 55.11 ? 88 GLU U CD 1 ? ? +22486 ATOM O OE1 . GLU P 15 80 ? 15.149 -10.202 -76.848 1.00 55.30 ? 88 GLU U OE1 1 ? ? +22487 ATOM O OE2 . GLU P 15 80 ? 17.011 -10.965 -75.920 1.00 55.10 ? 88 GLU U OE2 1 ? ? +22488 ATOM C C . GLU P 15 80 ? 18.385 -12.111 -78.824 1.00 55.54 ? 88 GLU U C 1 ? ? +22489 ATOM O O . GLU P 15 80 ? 18.680 -13.289 -79.024 1.00 55.20 ? 88 GLU U O 1 ? ? +22490 ATOM N N . THR P 15 81 ? 19.140 -11.259 -78.119 1.00 55.56 ? 89 THR U N 1 ? ? +22491 ATOM C CA . THR P 15 81 ? 20.463 -11.598 -77.608 1.00 55.37 ? 89 THR U CA 1 ? ? +22492 ATOM C CB . THR P 15 81 ? 20.984 -10.412 -76.800 1.00 55.41 ? 89 THR U CB 1 ? ? +22493 ATOM O OG1 . THR P 15 81 ? 21.116 -9.311 -77.685 1.00 56.15 ? 89 THR U OG1 1 ? ? +22494 ATOM C CG2 . THR P 15 81 ? 22.325 -10.641 -76.180 1.00 55.41 ? 89 THR U CG2 1 ? ? +22495 ATOM C C . THR P 15 81 ? 20.460 -12.876 -76.773 1.00 54.71 ? 89 THR U C 1 ? ? +22496 ATOM O O . THR P 15 81 ? 21.390 -13.683 -76.855 1.00 54.47 ? 89 THR U O 1 ? ? +22497 ATOM N N . ALA P 15 82 ? 19.394 -13.045 -75.978 1.00 54.09 ? 90 ALA U N 1 ? ? +22498 ATOM C CA . ALA P 15 82 ? 19.292 -14.165 -75.061 1.00 53.34 ? 90 ALA U CA 1 ? ? +22499 ATOM C CB . ALA P 15 82 ? 18.097 -13.970 -74.140 1.00 53.05 ? 90 ALA U CB 1 ? ? +22500 ATOM C C . ALA P 15 82 ? 19.187 -15.510 -75.774 1.00 53.19 ? 90 ALA U C 1 ? ? +22501 ATOM O O . ALA P 15 82 ? 19.484 -16.537 -75.177 1.00 52.97 ? 90 ALA U O 1 ? ? +22502 ATOM N N . LEU P 15 83 ? 18.742 -15.513 -77.035 1.00 53.41 ? 91 LEU U N 1 ? ? +22503 ATOM C CA . LEU P 15 83 ? 18.590 -16.753 -77.778 1.00 53.41 ? 91 LEU U CA 1 ? ? +22504 ATOM C CB . LEU P 15 83 ? 17.334 -16.683 -78.670 1.00 53.62 ? 91 LEU U CB 1 ? ? +22505 ATOM C CG . LEU P 15 83 ? 15.981 -16.710 -77.920 1.00 53.14 ? 91 LEU U CG 1 ? ? +22506 ATOM C CD1 . LEU P 15 83 ? 14.856 -16.648 -78.871 1.00 53.58 ? 91 LEU U CD1 1 ? ? +22507 ATOM C CD2 . LEU P 15 83 ? 15.842 -17.936 -77.050 1.00 52.51 ? 91 LEU U CD2 1 ? ? +22508 ATOM C C . LEU P 15 83 ? 19.808 -17.096 -78.631 1.00 53.82 ? 91 LEU U C 1 ? ? +22509 ATOM O O . LEU P 15 83 ? 20.001 -18.254 -78.990 1.00 54.06 ? 91 LEU U O 1 ? ? +22510 ATOM N N . VAL P 15 84 ? 20.625 -16.092 -78.963 1.00 54.02 ? 92 VAL U N 1 ? ? +22511 ATOM C CA . VAL P 15 84 ? 21.692 -16.270 -79.935 1.00 54.27 ? 92 VAL U CA 1 ? ? +22512 ATOM C CB . VAL P 15 84 ? 21.618 -15.216 -81.068 1.00 54.87 ? 92 VAL U CB 1 ? ? +22513 ATOM C CG1 . VAL P 15 84 ? 20.262 -15.274 -81.781 1.00 55.06 ? 92 VAL U CG1 1 ? ? +22514 ATOM C CG2 . VAL P 15 84 ? 21.916 -13.802 -80.560 1.00 54.89 ? 92 VAL U CG2 1 ? ? +22515 ATOM C C . VAL P 15 84 ? 23.079 -16.277 -79.298 1.00 54.05 ? 92 VAL U C 1 ? ? +22516 ATOM O O . VAL P 15 84 ? 24.024 -16.739 -79.927 1.00 54.53 ? 92 VAL U O 1 ? ? +22517 ATOM N N . GLU P 15 85 ? 23.208 -15.756 -78.071 1.00 53.43 ? 93 GLU U N 1 ? ? +22518 ATOM C CA . GLU P 15 85 ? 24.471 -15.808 -77.353 1.00 53.09 ? 93 GLU U CA 1 ? ? +22519 ATOM C CB . GLU P 15 85 ? 24.497 -14.814 -76.184 1.00 52.94 ? 93 GLU U CB 1 ? ? +22520 ATOM C CG . GLU P 15 85 ? 24.707 -13.375 -76.620 1.00 53.55 ? 93 GLU U CG 1 ? ? +22521 ATOM C CD . GLU P 15 85 ? 26.081 -13.105 -77.194 1.00 54.37 ? 93 GLU U CD 1 ? ? +22522 ATOM O OE1 . GLU P 15 85 ? 27.044 -13.847 -76.888 1.00 54.37 ? 93 GLU U OE1 1 ? ? +22523 ATOM O OE2 . GLU P 15 85 ? 26.184 -12.157 -77.998 1.00 55.37 ? 93 GLU U OE2 1 ? ? +22524 ATOM C C . GLU P 15 85 ? 24.706 -17.233 -76.865 1.00 52.42 ? 93 GLU U C 1 ? ? +22525 ATOM O O . GLU P 15 85 ? 23.836 -18.088 -76.967 1.00 52.25 ? 93 GLU U O 1 ? ? +22526 ATOM N N . GLY P 15 86 ? 25.918 -17.492 -76.377 1.00 52.04 ? 94 GLY U N 1 ? ? +22527 ATOM C CA . GLY P 15 86 ? 26.308 -18.814 -75.923 1.00 51.55 ? 94 GLY U CA 1 ? ? +22528 ATOM C C . GLY P 15 86 ? 26.421 -19.874 -77.020 1.00 51.70 ? 94 GLY U C 1 ? ? +22529 ATOM O O . GLY P 15 86 ? 26.578 -21.050 -76.722 1.00 51.53 ? 94 GLY U O 1 ? ? +22530 ATOM N N . GLY P 15 87 ? 26.364 -19.463 -78.287 1.00 52.03 ? 95 GLY U N 1 ? ? +22531 ATOM C CA . GLY P 15 87 ? 26.264 -20.415 -79.378 1.00 52.28 ? 95 GLY U CA 1 ? ? +22532 ATOM C C . GLY P 15 87 ? 24.996 -21.262 -79.292 1.00 51.92 ? 95 GLY U C 1 ? ? +22533 ATOM O O . GLY P 15 87 ? 24.957 -22.382 -79.793 1.00 51.97 ? 95 GLY U O 1 ? ? +22534 ATOM N N . ASP P 15 88 ? 23.952 -20.699 -78.667 1.00 51.55 ? 96 ASP U N 1 ? ? +22535 ATOM C CA . ASP P 15 88 ? 22.770 -21.460 -78.310 1.00 51.11 ? 96 ASP U CA 1 ? ? +22536 ATOM C CB . ASP P 15 88 ? 21.939 -20.697 -77.248 1.00 50.70 ? 96 ASP U CB 1 ? ? +22537 ATOM C CG . ASP P 15 88 ? 22.485 -20.848 -75.834 1.00 50.19 ? 96 ASP U CG 1 ? ? +22538 ATOM O OD1 . ASP P 15 88 ? 23.456 -21.574 -75.658 1.00 50.29 ? 96 ASP U OD1 1 ? ? +22539 ATOM O OD2 . ASP P 15 88 ? 21.922 -20.248 -74.904 1.00 49.82 ? 96 ASP U OD2 1 ? ? +22540 ATOM C C . ASP P 15 88 ? 21.913 -21.851 -79.511 1.00 51.37 ? 96 ASP U C 1 ? ? +22541 ATOM O O . ASP P 15 88 ? 21.104 -22.762 -79.406 1.00 51.26 ? 96 ASP U O 1 ? ? +22542 ATOM N N . ARG P 15 89 ? 22.099 -21.196 -80.657 1.00 51.88 ? 97 ARG U N 1 ? ? +22543 ATOM C CA . ARG P 15 89 ? 21.405 -21.619 -81.863 1.00 52.29 ? 97 ARG U CA 1 ? ? +22544 ATOM C CB . ARG P 15 89 ? 21.481 -20.576 -82.982 1.00 52.93 ? 97 ARG U CB 1 ? ? +22545 ATOM C CG . ARG P 15 89 ? 20.741 -19.295 -82.663 1.00 52.85 ? 97 ARG U CG 1 ? ? +22546 ATOM C CD . ARG P 15 89 ? 20.520 -18.485 -83.899 1.00 53.51 ? 97 ARG U CD 1 ? ? +22547 ATOM N NE . ARG P 15 89 ? 19.570 -19.134 -84.791 1.00 53.85 ? 97 ARG U NE 1 ? ? +22548 ATOM C CZ . ARG P 15 89 ? 19.284 -18.726 -86.019 1.00 54.52 ? 97 ARG U CZ 1 ? ? +22549 ATOM N NH1 . ARG P 15 89 ? 19.966 -17.757 -86.607 1.00 55.02 ? 97 ARG U NH1 1 ? ? +22550 ATOM N NH2 . ARG P 15 89 ? 18.302 -19.322 -86.686 1.00 54.76 ? 97 ARG U NH2 1 ? ? +22551 ATOM C C . ARG P 15 89 ? 21.948 -22.939 -82.402 1.00 52.45 ? 97 ARG U C 1 ? ? +22552 ATOM O O . ARG P 15 89 ? 21.309 -23.558 -83.247 1.00 52.83 ? 97 ARG U O 1 ? ? +22553 ATOM N N . TYR P 15 90 ? 23.138 -23.346 -81.937 1.00 52.22 ? 98 TYR U N 1 ? ? +22554 ATOM C CA . TYR P 15 90 ? 23.724 -24.615 -82.330 1.00 52.23 ? 98 TYR U CA 1 ? ? +22555 ATOM C CB . TYR P 15 90 ? 25.235 -24.437 -82.557 1.00 52.45 ? 98 TYR U CB 1 ? ? +22556 ATOM C CG . TYR P 15 90 ? 25.551 -23.497 -83.692 1.00 52.99 ? 98 TYR U CG 1 ? ? +22557 ATOM C CD1 . TYR P 15 90 ? 25.466 -23.914 -85.014 1.00 53.51 ? 98 TYR U CD1 1 ? ? +22558 ATOM C CD2 . TYR P 15 90 ? 25.910 -22.180 -83.448 1.00 53.01 ? 98 TYR U CD2 1 ? ? +22559 ATOM C CE1 . TYR P 15 90 ? 25.762 -23.050 -86.062 1.00 54.10 ? 98 TYR U CE1 1 ? ? +22560 ATOM C CE2 . TYR P 15 90 ? 26.215 -21.309 -84.488 1.00 53.58 ? 98 TYR U CE2 1 ? ? +22561 ATOM C CZ . TYR P 15 90 ? 26.136 -21.748 -85.794 1.00 54.14 ? 98 TYR U CZ 1 ? ? +22562 ATOM O OH . TYR P 15 90 ? 26.420 -20.888 -86.824 1.00 54.78 ? 98 TYR U OH 1 ? ? +22563 ATOM C C . TYR P 15 90 ? 23.466 -25.715 -81.304 1.00 51.64 ? 98 TYR U C 1 ? ? +22564 ATOM O O . TYR P 15 90 ? 23.400 -26.888 -81.649 1.00 51.78 ? 98 TYR U O 1 ? ? +22565 ATOM N N . ASN P 15 91 ? 23.345 -25.327 -80.039 1.00 51.06 ? 99 ASN U N 1 ? ? +22566 ATOM C CA . ASN P 15 91 ? 23.154 -26.270 -78.957 1.00 50.53 ? 99 ASN U CA 1 ? ? +22567 ATOM C CB . ASN P 15 91 ? 24.471 -26.938 -78.565 1.00 50.46 ? 99 ASN U CB 1 ? ? +22568 ATOM C CG . ASN P 15 91 ? 24.307 -28.002 -77.515 1.00 49.98 ? 99 ASN U CG 1 ? ? +22569 ATOM O OD1 . ASN P 15 91 ? 23.538 -27.871 -76.568 1.00 49.56 ? 99 ASN U OD1 1 ? ? +22570 ATOM N ND2 . ASN P 15 91 ? 24.997 -29.099 -77.658 1.00 50.11 ? 99 ASN U ND2 1 ? ? +22571 ATOM C C . ASN P 15 91 ? 22.571 -25.473 -77.799 1.00 50.09 ? 99 ASN U C 1 ? ? +22572 ATOM O O . ASN P 15 91 ? 23.285 -24.675 -77.201 1.00 49.92 ? 99 ASN U O 1 ? ? +22573 ATOM N N . ASN P 15 92 ? 21.282 -25.693 -77.500 1.00 49.89 ? 100 ASN U N 1 ? ? +22574 ATOM C CA . ASN P 15 92 ? 20.597 -24.890 -76.503 1.00 49.57 ? 100 ASN U CA 1 ? ? +22575 ATOM C CB . ASN P 15 92 ? 19.299 -24.340 -77.068 1.00 49.71 ? 100 ASN U CB 1 ? ? +22576 ATOM C CG . ASN P 15 92 ? 18.288 -25.386 -77.428 1.00 49.71 ? 100 ASN U CG 1 ? ? +22577 ATOM O OD1 . ASN P 15 92 ? 18.466 -26.570 -77.204 1.00 49.57 ? 100 ASN U OD1 1 ? ? +22578 ATOM N ND2 . ASN P 15 92 ? 17.205 -24.950 -77.991 1.00 49.93 ? 100 ASN U ND2 1 ? ? +22579 ATOM C C . ASN P 15 92 ? 20.338 -25.637 -75.200 1.00 49.16 ? 100 ASN U C 1 ? ? +22580 ATOM O O . ASN P 15 92 ? 19.492 -25.235 -74.406 1.00 48.91 ? 100 ASN U O 1 ? ? +22581 ATOM N N A GLY P 15 93 ? 21.067 -26.736 -74.990 0.40 49.18 ? 101 GLY U N 1 ? ? +22582 ATOM N N B GLY P 15 93 ? 21.067 -26.734 -74.990 0.60 49.17 ? 101 GLY U N 1 ? ? +22583 ATOM C CA A GLY P 15 93 ? 21.000 -27.468 -73.738 0.40 48.80 ? 101 GLY U CA 1 ? ? +22584 ATOM C CA B GLY P 15 93 ? 20.998 -27.464 -73.737 0.60 48.78 ? 101 GLY U CA 1 ? ? +22585 ATOM C C A GLY P 15 93 ? 19.852 -28.471 -73.663 0.40 48.82 ? 101 GLY U C 1 ? ? +22586 ATOM C C B GLY P 15 93 ? 19.849 -28.464 -73.662 0.60 48.82 ? 101 GLY U C 1 ? ? +22587 ATOM O O A GLY P 15 93 ? 19.721 -29.190 -72.674 0.40 48.48 ? 101 GLY U O 1 ? ? +22588 ATOM O O B GLY P 15 93 ? 19.711 -29.173 -72.668 0.60 48.46 ? 101 GLY U O 1 ? ? +22589 ATOM N N . LEU P 15 94 ? 19.037 -28.518 -74.723 1.00 49.28 ? 102 LEU U N 1 ? ? +22590 ATOM C CA . LEU P 15 94 ? 17.922 -29.443 -74.794 1.00 49.43 ? 102 LEU U CA 1 ? ? +22591 ATOM C CB . LEU P 15 94 ? 16.688 -28.779 -75.376 1.00 49.76 ? 102 LEU U CB 1 ? ? +22592 ATOM C CG . LEU P 15 94 ? 15.842 -28.013 -74.422 1.00 49.47 ? 102 LEU U CG 1 ? ? +22593 ATOM C CD1 . LEU P 15 94 ? 16.571 -26.802 -73.898 1.00 49.35 ? 102 LEU U CD1 1 ? ? +22594 ATOM C CD2 . LEU P 15 94 ? 14.532 -27.609 -75.106 1.00 49.81 ? 102 LEU U CD2 1 ? ? +22595 ATOM C C . LEU P 15 94 ? 18.281 -30.608 -75.699 1.00 49.94 ? 102 LEU U C 1 ? ? +22596 ATOM O O . LEU P 15 94 ? 18.607 -30.408 -76.859 1.00 50.48 ? 102 LEU U O 1 ? ? +22597 ATOM N N A TYR P 15 95 ? 18.200 -31.820 -75.150 0.40 49.83 ? 103 TYR U N 1 ? ? +22598 ATOM N N B TYR P 15 95 ? 18.200 -31.822 -75.154 0.60 49.82 ? 103 TYR U N 1 ? ? +22599 ATOM C CA A TYR P 15 95 ? 18.333 -33.039 -75.924 0.40 50.20 ? 103 TYR U CA 1 ? ? +22600 ATOM C CA B TYR P 15 95 ? 18.385 -33.039 -75.923 0.60 50.20 ? 103 TYR U CA 1 ? ? +22601 ATOM C C A TYR P 15 95 ? 16.944 -33.675 -75.882 0.40 50.32 ? 103 TYR U C 1 ? ? +22602 ATOM C C B TYR P 15 95 ? 17.013 -33.716 -75.964 0.60 50.41 ? 103 TYR U C 1 ? ? +22603 ATOM O O A TYR P 15 95 ? 15.950 -32.994 -76.116 0.40 50.49 ? 103 TYR U O 1 ? ? +22604 ATOM O O B TYR P 15 95 ? 16.051 -33.104 -76.414 0.60 50.71 ? 103 TYR U O 1 ? ? +22605 ATOM C CB A TYR P 15 95 ? 19.467 -33.886 -75.338 0.40 50.02 ? 103 TYR U CB 1 ? ? +22606 ATOM C CB B TYR P 15 95 ? 19.507 -33.851 -75.287 0.60 49.95 ? 103 TYR U CB 1 ? ? +22607 ATOM C CG A TYR P 15 95 ? 20.806 -33.164 -75.343 0.40 50.04 ? 103 TYR U CG 1 ? ? +22608 ATOM C CG B TYR P 15 95 ? 20.837 -33.123 -75.298 0.60 49.93 ? 103 TYR U CG 1 ? ? +22609 ATOM C CD1 A TYR P 15 95 ? 21.571 -33.081 -76.497 0.40 50.51 ? 103 TYR U CD1 1 ? ? +22610 ATOM C CD1 B TYR P 15 95 ? 21.610 -33.064 -76.446 0.60 50.38 ? 103 TYR U CD1 1 ? ? +22611 ATOM C CD2 A TYR P 15 95 ? 21.291 -32.546 -74.200 0.40 49.63 ? 103 TYR U CD2 1 ? ? +22612 ATOM C CD2 B TYR P 15 95 ? 21.312 -32.483 -74.164 0.60 49.49 ? 103 TYR U CD2 1 ? ? +22613 ATOM C CE1 A TYR P 15 95 ? 22.800 -32.426 -76.507 0.40 50.61 ? 103 TYR U CE1 1 ? ? +22614 ATOM C CE1 B TYR P 15 95 ? 22.844 -32.418 -76.457 0.60 50.45 ? 103 TYR U CE1 1 ? ? +22615 ATOM C CE2 A TYR P 15 95 ? 22.518 -31.882 -74.199 0.40 49.69 ? 103 TYR U CE2 1 ? ? +22616 ATOM C CE2 B TYR P 15 95 ? 22.540 -31.820 -74.164 0.60 49.53 ? 103 TYR U CE2 1 ? ? +22617 ATOM C CZ A TYR P 15 95 ? 23.270 -31.822 -75.356 0.40 50.18 ? 103 TYR U CZ 1 ? ? +22618 ATOM C CZ B TYR P 15 95 ? 23.305 -31.791 -75.315 0.60 50.01 ? 103 TYR U CZ 1 ? ? +22619 ATOM O OH A TYR P 15 95 ? 24.489 -31.177 -75.374 0.40 50.29 ? 103 TYR U OH 1 ? ? +22620 ATOM O OH B TYR P 15 95 ? 24.526 -31.151 -75.346 0.60 50.09 ? 103 TYR U OH 1 ? ? +22621 ATOM N N A LYS P 15 96 ? 16.853 -34.964 -75.563 0.40 50.35 ? 104 LYS U N 1 ? ? +22622 ATOM N N B LYS P 15 96 ? 16.899 -34.960 -75.497 0.60 50.42 ? 104 LYS U N 1 ? ? +22623 ATOM C CA A LYS P 15 96 ? 15.555 -35.568 -75.326 0.40 50.37 ? 104 LYS U CA 1 ? ? +22624 ATOM C CA B LYS P 15 96 ? 15.599 -35.572 -75.284 0.60 50.46 ? 104 LYS U CA 1 ? ? +22625 ATOM C C A LYS P 15 96 ? 15.172 -35.331 -73.880 0.40 49.92 ? 104 LYS U C 1 ? ? +22626 ATOM C C B LYS P 15 96 ? 15.225 -35.406 -73.833 0.60 50.07 ? 104 LYS U C 1 ? ? +22627 ATOM O O A LYS P 15 96 ? 16.058 -35.180 -73.033 0.40 49.64 ? 104 LYS U O 1 ? ? +22628 ATOM O O B LYS P 15 96 ? 16.111 -35.445 -72.968 0.60 49.79 ? 104 LYS U O 1 ? ? +22629 ATOM C CB A LYS P 15 96 ? 15.572 -37.059 -75.641 0.40 50.60 ? 104 LYS U CB 1 ? ? +22630 ATOM C CB B LYS P 15 96 ? 15.622 -37.051 -75.648 0.60 50.72 ? 104 LYS U CB 1 ? ? +22631 ATOM C CG A LYS P 15 96 ? 15.565 -37.365 -77.122 0.40 51.21 ? 104 LYS U CG 1 ? ? +22632 ATOM C CG B LYS P 15 96 ? 15.634 -37.311 -77.131 0.60 51.34 ? 104 LYS U CG 1 ? ? +22633 ATOM C CD A LYS P 15 96 ? 14.188 -37.213 -77.755 0.40 51.48 ? 104 LYS U CD 1 ? ? +22634 ATOM C CD B LYS P 15 96 ? 14.261 -37.142 -77.772 0.60 51.62 ? 104 LYS U CD 1 ? ? +22635 ATOM C CE A LYS P 15 96 ? 14.207 -37.574 -79.214 0.40 52.10 ? 104 LYS U CE 1 ? ? +22636 ATOM C CE B LYS P 15 96 ? 14.293 -37.502 -79.228 0.60 52.23 ? 104 LYS U CE 1 ? ? +22637 ATOM N NZ A LYS P 15 96 ? 12.862 -37.488 -79.810 0.40 52.45 ? 104 LYS U NZ 1 ? ? +22638 ATOM N NZ B LYS P 15 96 ? 12.943 -37.543 -79.798 0.60 52.59 ? 104 LYS U NZ 1 ? ? +22639 ATOM O OXT A LYS P 15 96 ? 13.979 -35.280 -73.548 0.40 49.91 ? 104 LYS U OXT 1 ? ? +22640 ATOM O OXT B LYS P 15 96 ? 14.037 -35.237 -73.506 0.60 50.10 ? 104 LYS U OXT 1 ? ? +22641 ATOM N N . ALA Q 16 1 ? -4.397 -57.665 -75.448 1.00 61.07 ? 1 ALA V N 1 ? ? +22642 ATOM C CA . ALA Q 16 1 ? -3.642 -57.196 -76.603 1.00 61.04 ? 1 ALA V CA 1 ? ? +22643 ATOM C CB . ALA Q 16 1 ? -2.994 -55.856 -76.314 1.00 60.41 ? 1 ALA V CB 1 ? ? +22644 ATOM C C . ALA Q 16 1 ? -2.595 -58.238 -76.991 1.00 61.16 ? 1 ALA V C 1 ? ? +22645 ATOM O O . ALA Q 16 1 ? -1.943 -58.829 -76.130 1.00 60.56 ? 1 ALA V O 1 ? ? +22646 ATOM N N A GLU Q 16 2 ? -2.448 -58.449 -78.304 0.50 61.70 ? 2 GLU V N 1 ? ? +22647 ATOM N N B GLU Q 16 2 ? -2.452 -58.442 -78.303 0.50 61.78 ? 2 GLU V N 1 ? ? +22648 ATOM C CA A GLU Q 16 2 ? -1.598 -59.497 -78.847 0.50 62.03 ? 2 GLU V CA 1 ? ? +22649 ATOM C CA B GLU Q 16 2 ? -1.598 -59.481 -78.850 0.50 62.16 ? 2 GLU V CA 1 ? ? +22650 ATOM C C A GLU Q 16 2 ? -0.816 -58.947 -80.035 0.50 62.18 ? 2 GLU V C 1 ? ? +22651 ATOM C C B GLU Q 16 2 ? -0.810 -58.936 -80.035 0.50 62.25 ? 2 GLU V C 1 ? ? +22652 ATOM O O A GLU Q 16 2 ? -1.181 -57.923 -80.609 0.50 62.12 ? 2 GLU V O 1 ? ? +22653 ATOM O O B GLU Q 16 2 ? -1.172 -57.912 -80.612 0.50 62.14 ? 2 GLU V O 1 ? ? +22654 ATOM C CB A GLU Q 16 2 ? -2.448 -60.724 -79.271 0.50 62.80 ? 2 GLU V CB 1 ? ? +22655 ATOM C CB B GLU Q 16 2 ? -2.434 -60.698 -79.291 0.50 63.04 ? 2 GLU V CB 1 ? ? +22656 ATOM C CG A GLU Q 16 2 ? -1.674 -61.942 -79.788 0.50 63.11 ? 2 GLU V CG 1 ? ? +22657 ATOM C CG B GLU Q 16 2 ? -2.835 -61.617 -78.150 0.50 63.10 ? 2 GLU V CG 1 ? ? +22658 ATOM C CD A GLU Q 16 2 ? -0.504 -62.428 -78.944 0.50 62.53 ? 2 GLU V CD 1 ? ? +22659 ATOM C CD B GLU Q 16 2 ? -3.786 -62.715 -78.564 0.50 63.93 ? 2 GLU V CD 1 ? ? +22660 ATOM O OE1 A GLU Q 16 2 ? 0.576 -61.799 -79.002 0.50 61.86 ? 2 GLU V OE1 1 ? ? +22661 ATOM O OE1 B GLU Q 16 2 ? -3.991 -62.855 -79.789 0.50 64.62 ? 2 GLU V OE1 1 ? ? +22662 ATOM O OE2 A GLU Q 16 2 ? -0.662 -63.445 -78.230 0.50 62.66 ? 2 GLU V OE2 1 ? ? +22663 ATOM O OE2 B GLU Q 16 2 ? -4.331 -63.422 -77.683 0.50 64.00 ? 2 GLU V OE2 1 ? ? +22664 ATOM N N . LEU Q 16 3 ? 0.272 -59.642 -80.376 1.00 62.38 ? 3 LEU V N 1 ? ? +22665 ATOM C CA . LEU Q 16 3 ? 1.092 -59.286 -81.517 1.00 62.63 ? 3 LEU V CA 1 ? ? +22666 ATOM C CB . LEU Q 16 3 ? 2.543 -59.712 -81.275 1.00 62.28 ? 3 LEU V CB 1 ? ? +22667 ATOM C CG . LEU Q 16 3 ? 3.553 -59.168 -82.250 1.00 62.38 ? 3 LEU V CG 1 ? ? +22668 ATOM C CD1 . LEU Q 16 3 ? 3.521 -57.634 -82.326 1.00 62.05 ? 3 LEU V CD1 1 ? ? +22669 ATOM C CD2 . LEU Q 16 3 ? 4.921 -59.578 -81.859 1.00 62.12 ? 3 LEU V CD2 1 ? ? +22670 ATOM C C . LEU Q 16 3 ? 0.467 -59.948 -82.741 1.00 63.48 ? 3 LEU V C 1 ? ? +22671 ATOM O O . LEU Q 16 3 ? 0.778 -61.088 -83.059 1.00 63.91 ? 3 LEU V O 1 ? ? +22672 ATOM N N . THR Q 16 4 ? -0.440 -59.218 -83.399 1.00 63.94 ? 4 THR V N 1 ? ? +22673 ATOM C CA . THR Q 16 4 ? -1.228 -59.754 -84.497 1.00 64.98 ? 4 THR V CA 1 ? ? +22674 ATOM C CB . THR Q 16 4 ? -2.620 -59.132 -84.466 1.00 65.05 ? 4 THR V CB 1 ? ? +22675 ATOM O OG1 . THR Q 16 4 ? -2.503 -57.746 -84.758 1.00 64.79 ? 4 THR V OG1 1 ? ? +22676 ATOM C CG2 . THR Q 16 4 ? -3.310 -59.316 -83.123 1.00 64.72 ? 4 THR V CG2 1 ? ? +22677 ATOM C C . THR Q 16 4 ? -0.540 -59.508 -85.838 1.00 65.59 ? 4 THR V C 1 ? ? +22678 ATOM O O . THR Q 16 4 ? 0.415 -58.744 -85.907 1.00 65.13 ? 4 THR V O 1 ? ? +22679 ATOM N N . PRO Q 16 5 ? -0.995 -60.143 -86.945 1.00 66.67 ? 5 PRO V N 1 ? ? +22680 ATOM C CA . PRO Q 16 5 ? -0.525 -59.796 -88.288 1.00 67.16 ? 5 PRO V CA 1 ? ? +22681 ATOM C CB . PRO Q 16 5 ? -1.362 -60.719 -89.194 1.00 67.96 ? 5 PRO V CB 1 ? ? +22682 ATOM C CG . PRO Q 16 5 ? -1.714 -61.884 -88.315 1.00 67.94 ? 5 PRO V CG 1 ? ? +22683 ATOM C CD . PRO Q 16 5 ? -1.947 -61.265 -86.963 1.00 67.28 ? 5 PRO V CD 1 ? ? +22684 ATOM C C . PRO Q 16 5 ? -0.710 -58.327 -88.662 1.00 67.22 ? 5 PRO V C 1 ? ? +22685 ATOM O O . PRO Q 16 5 ? 0.097 -57.779 -89.409 1.00 67.06 ? 5 PRO V O 1 ? ? +22686 ATOM N N . GLU Q 16 6 ? -1.770 -57.695 -88.140 1.00 67.48 ? 6 GLU V N 1 ? ? +22687 ATOM C CA . GLU Q 16 6 ? -2.026 -56.285 -88.398 1.00 67.73 ? 6 GLU V CA 1 ? ? +22688 ATOM C CB . GLU Q 16 6 ? -3.332 -55.819 -87.735 1.00 68.67 ? 6 GLU V CB 1 ? ? +22689 ATOM C CG . GLU Q 16 6 ? -4.585 -56.477 -88.307 1.00 70.77 ? 6 GLU V CG 1 ? ? +22690 ATOM C CD . GLU Q 16 6 ? -4.847 -57.916 -87.863 1.00 72.22 ? 6 GLU V CD 1 ? ? +22691 ATOM O OE1 . GLU Q 16 6 ? -5.035 -58.144 -86.642 1.00 72.67 ? 6 GLU V OE1 1 ? ? +22692 ATOM O OE2 . GLU Q 16 6 ? -4.855 -58.819 -88.734 1.00 73.88 ? 6 GLU V OE2 1 ? ? +22693 ATOM C C . GLU Q 16 6 ? -0.859 -55.436 -87.903 1.00 66.27 ? 6 GLU V C 1 ? ? +22694 ATOM O O . GLU Q 16 6 ? -0.348 -54.593 -88.634 1.00 66.33 ? 6 GLU V O 1 ? ? +22695 ATOM N N . VAL Q 16 7 ? -0.449 -55.682 -86.656 1.00 64.95 ? 7 VAL V N 1 ? ? +22696 ATOM C CA . VAL Q 16 7 ? 0.667 -54.979 -86.049 1.00 63.78 ? 7 VAL V CA 1 ? ? +22697 ATOM C CB . VAL Q 16 7 ? 0.834 -55.391 -84.569 1.00 63.15 ? 7 VAL V CB 1 ? ? +22698 ATOM C CG1 . VAL Q 16 7 ? 2.121 -54.820 -83.991 1.00 62.65 ? 7 VAL V CG1 1 ? ? +22699 ATOM C CG2 . VAL Q 16 7 ? -0.345 -54.971 -83.726 1.00 63.03 ? 7 VAL V CG2 1 ? ? +22700 ATOM C C . VAL Q 16 7 ? 1.958 -55.228 -86.832 1.00 63.42 ? 7 VAL V C 1 ? ? +22701 ATOM O O . VAL Q 16 7 ? 2.769 -54.320 -86.999 1.00 63.19 ? 7 VAL V O 1 ? ? +22702 ATOM N N . LEU Q 16 8 ? 2.130 -56.466 -87.312 1.00 63.34 ? 8 LEU V N 1 ? ? +22703 ATOM C CA . LEU Q 16 8 ? 3.335 -56.880 -88.011 1.00 62.99 ? 8 LEU V CA 1 ? ? +22704 ATOM C CB . LEU Q 16 8 ? 3.501 -58.411 -87.872 1.00 63.25 ? 8 LEU V CB 1 ? ? +22705 ATOM C CG . LEU Q 16 8 ? 3.798 -58.953 -86.472 1.00 62.67 ? 8 LEU V CG 1 ? ? +22706 ATOM C CD1 . LEU Q 16 8 ? 3.932 -60.449 -86.488 1.00 63.02 ? 8 LEU V CD1 1 ? ? +22707 ATOM C CD2 . LEU Q 16 8 ? 5.048 -58.377 -85.923 1.00 62.11 ? 8 LEU V CD2 1 ? ? +22708 ATOM C C . LEU Q 16 8 ? 3.353 -56.524 -89.497 1.00 63.19 ? 8 LEU V C 1 ? ? +22709 ATOM O O . LEU Q 16 8 ? 4.266 -56.934 -90.206 1.00 63.47 ? 8 LEU V O 1 ? ? +22710 ATOM N N . THR Q 16 9 ? 2.342 -55.786 -89.969 1.00 63.11 ? 9 THR V N 1 ? ? +22711 ATOM C CA . THR Q 16 9 ? 2.280 -55.347 -91.355 1.00 63.32 ? 9 THR V CA 1 ? ? +22712 ATOM C CB . THR Q 16 9 ? 0.844 -55.458 -91.896 1.00 63.84 ? 9 THR V CB 1 ? ? +22713 ATOM O OG1 . THR Q 16 9 ? 0.427 -56.805 -91.726 1.00 64.09 ? 9 THR V OG1 1 ? ? +22714 ATOM C CG2 . THR Q 16 9 ? 0.735 -55.083 -93.363 1.00 64.47 ? 9 THR V CG2 1 ? ? +22715 ATOM C C . THR Q 16 9 ? 2.827 -53.929 -91.451 1.00 62.66 ? 9 THR V C 1 ? ? +22716 ATOM O O . THR Q 16 9 ? 2.326 -53.022 -90.790 1.00 62.10 ? 9 THR V O 1 ? ? +22717 ATOM N N . VAL Q 16 10 ? 3.861 -53.760 -92.283 1.00 62.62 ? 10 VAL V N 1 ? ? +22718 ATOM C CA . VAL Q 16 10 ? 4.581 -52.500 -92.376 1.00 62.11 ? 10 VAL V CA 1 ? ? +22719 ATOM C CB . VAL Q 16 10 ? 5.926 -52.576 -91.617 1.00 61.42 ? 10 VAL V CB 1 ? ? +22720 ATOM C CG1 . VAL Q 16 10 ? 5.703 -52.732 -90.121 1.00 60.78 ? 10 VAL V CG1 1 ? ? +22721 ATOM C CG2 . VAL Q 16 10 ? 6.802 -53.707 -92.141 1.00 61.70 ? 10 VAL V CG2 1 ? ? +22722 ATOM C C . VAL Q 16 10 ? 4.787 -52.132 -93.839 1.00 62.61 ? 10 VAL V C 1 ? ? +22723 ATOM O O . VAL Q 16 10 ? 4.709 -52.992 -94.706 1.00 63.13 ? 10 VAL V O 1 ? ? +22724 ATOM N N . PRO Q 16 11 ? 5.057 -50.851 -94.159 1.00 62.59 ? 11 PRO V N 1 ? ? +22725 ATOM C CA . PRO Q 16 11 ? 5.417 -50.464 -95.523 1.00 63.40 ? 11 PRO V CA 1 ? ? +22726 ATOM C CB . PRO Q 16 11 ? 5.538 -48.938 -95.442 1.00 62.96 ? 11 PRO V CB 1 ? ? +22727 ATOM C CG . PRO Q 16 11 ? 4.878 -48.542 -94.158 1.00 62.29 ? 11 PRO V CG 1 ? ? +22728 ATOM C CD . PRO Q 16 11 ? 5.014 -49.711 -93.233 1.00 61.96 ? 11 PRO V CD 1 ? ? +22729 ATOM C C . PRO Q 16 11 ? 6.717 -51.100 -96.023 1.00 63.97 ? 11 PRO V C 1 ? ? +22730 ATOM O O . PRO Q 16 11 ? 7.749 -51.042 -95.355 1.00 63.19 ? 11 PRO V O 1 ? ? +22731 ATOM N N . LEU Q 16 12 ? 6.638 -51.715 -97.211 1.00 65.42 ? 12 LEU V N 1 ? ? +22732 ATOM C CA . LEU Q 16 12 ? 7.787 -52.299 -97.884 1.00 66.36 ? 12 LEU V CA 1 ? ? +22733 ATOM C CB . LEU Q 16 12 ? 7.307 -53.415 -98.829 1.00 67.02 ? 12 LEU V CB 1 ? ? +22734 ATOM C CG . LEU Q 16 12 ? 8.386 -54.158 -99.673 1.00 67.42 ? 12 LEU V CG 1 ? ? +22735 ATOM C CD1 . LEU Q 16 12 ? 9.443 -54.849 -98.809 1.00 66.84 ? 12 LEU V CD1 1 ? ? +22736 ATOM C CD2 . LEU Q 16 12 ? 7.748 -55.157 -100.589 1.00 68.24 ? 12 LEU V CD2 1 ? ? +22737 ATOM C C . LEU Q 16 12 ? 8.590 -51.241 -98.643 1.00 67.42 ? 12 LEU V C 1 ? ? +22738 ATOM O O . LEU Q 16 12 ? 9.821 -51.229 -98.584 1.00 67.09 ? 12 LEU V O 1 ? ? +22739 ATOM N N . ASN Q 16 13 ? 7.871 -50.354 -99.343 1.00 69.04 ? 13 ASN V N 1 ? ? +22740 ATOM C CA . ASN Q 16 13 ? 8.477 -49.284 -100.122 1.00 70.42 ? 13 ASN V CA 1 ? ? +22741 ATOM C CB . ASN Q 16 13 ? 8.596 -49.713 -101.576 1.00 71.31 ? 13 ASN V CB 1 ? ? +22742 ATOM C CG . ASN Q 16 13 ? 7.271 -50.148 -102.181 1.00 71.77 ? 13 ASN V CG 1 ? ? +22743 ATOM O OD1 . ASN Q 16 13 ? 6.235 -49.504 -102.000 1.00 71.70 ? 13 ASN V OD1 1 ? ? +22744 ATOM N ND2 . ASN Q 16 13 ? 7.291 -51.252 -102.899 1.00 72.25 ? 13 ASN V ND2 1 ? ? +22745 ATOM C C . ASN Q 16 13 ? 7.666 -47.995 -99.991 1.00 71.52 ? 13 ASN V C 1 ? ? +22746 ATOM O O . ASN Q 16 13 ? 6.659 -47.968 -99.290 1.00 71.47 ? 13 ASN V O 1 ? ? +22747 ATOM N N . SER Q 16 14 ? 8.115 -46.929 -100.664 1.00 73.31 ? 14 SER V N 1 ? ? +22748 ATOM C CA . SER Q 16 14 ? 7.403 -45.658 -100.655 1.00 74.74 ? 14 SER V CA 1 ? ? +22749 ATOM C CB . SER Q 16 14 ? 8.355 -44.508 -100.988 1.00 74.71 ? 14 SER V CB 1 ? ? +22750 ATOM O OG . SER Q 16 14 ? 9.352 -44.886 -101.924 1.00 75.48 ? 14 SER V OG 1 ? ? +22751 ATOM C C . SER Q 16 14 ? 6.169 -45.623 -101.562 1.00 76.64 ? 14 SER V C 1 ? ? +22752 ATOM O O . SER Q 16 14 ? 5.339 -44.727 -101.434 1.00 77.24 ? 14 SER V O 1 ? ? +22753 ATOM N N . GLU Q 16 15 ? 6.035 -46.605 -102.463 1.00 78.59 ? 15 GLU V N 1 ? ? +22754 ATOM C CA . GLU Q 16 15 ? 4.880 -46.683 -103.347 1.00 80.64 ? 15 GLU V CA 1 ? ? +22755 ATOM C CB . GLU Q 16 15 ? 5.231 -47.480 -104.606 1.00 83.20 ? 15 GLU V CB 1 ? ? +22756 ATOM C CG . GLU Q 16 15 ? 6.106 -46.678 -105.554 1.00 85.68 ? 15 GLU V CG 1 ? ? +22757 ATOM C CD . GLU Q 16 15 ? 6.264 -47.273 -106.940 1.00 89.53 ? 15 GLU V CD 1 ? ? +22758 ATOM O OE1 . GLU Q 16 15 ? 6.006 -48.490 -107.095 1.00 91.76 ? 15 GLU V OE1 1 ? ? +22759 ATOM O OE2 . GLU Q 16 15 ? 6.626 -46.522 -107.878 1.00 92.32 ? 15 GLU V OE2 1 ? ? +22760 ATOM C C . GLU Q 16 15 ? 3.634 -47.279 -102.692 1.00 79.90 ? 15 GLU V C 1 ? ? +22761 ATOM O O . GLU Q 16 15 ? 2.590 -47.369 -103.334 1.00 81.03 ? 15 GLU V O 1 ? ? +22762 ATOM N N . GLY Q 16 16 ? 3.757 -47.704 -101.428 1.00 78.32 ? 16 GLY V N 1 ? ? +22763 ATOM C CA . GLY Q 16 16 ? 2.605 -48.094 -100.632 1.00 77.05 ? 16 GLY V CA 1 ? ? +22764 ATOM C C . GLY Q 16 16 ? 2.428 -49.596 -100.419 1.00 76.07 ? 16 GLY V C 1 ? ? +22765 ATOM O O . GLY Q 16 16 ? 1.591 -50.002 -99.621 1.00 76.53 ? 16 GLY V O 1 ? ? +22766 ATOM N N . LYS Q 16 17 ? 3.208 -50.422 -101.128 1.00 74.70 ? 17 LYS V N 1 ? ? +22767 ATOM C CA . LYS Q 16 17 ? 3.150 -51.860 -100.934 1.00 73.51 ? 17 LYS V CA 1 ? ? +22768 ATOM C CB . LYS Q 16 17 ? 4.045 -52.561 -101.944 1.00 74.05 ? 17 LYS V CB 1 ? ? +22769 ATOM C CG . LYS Q 16 17 ? 4.178 -54.056 -101.740 1.00 74.40 ? 17 LYS V CG 1 ? ? +22770 ATOM C CD . LYS Q 16 17 ? 3.482 -54.921 -102.768 1.00 75.40 ? 17 LYS V CD 1 ? ? +22771 ATOM C CE . LYS Q 16 17 ? 3.289 -56.326 -102.236 1.00 75.54 ? 17 LYS V CE 1 ? ? +22772 ATOM N NZ . LYS Q 16 17 ? 3.510 -57.347 -103.290 1.00 76.49 ? 17 LYS V NZ 1 ? ? +22773 ATOM C C . LYS Q 16 17 ? 3.582 -52.197 -99.508 1.00 71.64 ? 17 LYS V C 1 ? ? +22774 ATOM O O . LYS Q 16 17 ? 4.505 -51.585 -98.981 1.00 70.88 ? 17 LYS V O 1 ? ? +22775 ATOM N N . THR Q 16 18 ? 2.886 -53.166 -98.900 1.00 70.71 ? 18 THR V N 1 ? ? +22776 ATOM C CA . THR Q 16 18 ? 3.162 -53.625 -97.551 1.00 69.25 ? 18 THR V CA 1 ? ? +22777 ATOM C CB . THR Q 16 18 ? 1.883 -53.574 -96.673 1.00 69.12 ? 18 THR V CB 1 ? ? +22778 ATOM O OG1 . THR Q 16 18 ? 0.977 -54.617 -97.062 1.00 69.90 ? 18 THR V OG1 1 ? ? +22779 ATOM C CG2 . THR Q 16 18 ? 1.172 -52.237 -96.758 1.00 69.04 ? 18 THR V CG2 1 ? ? +22780 ATOM C C . THR Q 16 18 ? 3.730 -55.041 -97.571 1.00 68.71 ? 18 THR V C 1 ? ? +22781 ATOM O O . THR Q 16 18 ? 3.598 -55.766 -98.554 1.00 69.25 ? 18 THR V O 1 ? ? +22782 ATOM N N . ILE Q 16 19 ? 4.376 -55.411 -96.465 1.00 67.52 ? 19 ILE V N 1 ? ? +22783 ATOM C CA . ILE Q 16 19 ? 4.808 -56.774 -96.224 1.00 67.26 ? 19 ILE V CA 1 ? ? +22784 ATOM C CB . ILE Q 16 19 ? 6.353 -56.925 -96.439 1.00 67.23 ? 19 ILE V CB 1 ? ? +22785 ATOM C CG1 . ILE Q 16 19 ? 6.713 -58.409 -96.624 1.00 67.71 ? 19 ILE V CG1 1 ? ? +22786 ATOM C CG2 . ILE Q 16 19 ? 7.206 -56.230 -95.314 1.00 66.25 ? 19 ILE V CG2 1 ? ? +22787 ATOM C CD1 . ILE Q 16 19 ? 8.167 -58.721 -96.555 1.00 67.58 ? 19 ILE V CD1 1 ? ? +22788 ATOM C C . ILE Q 16 19 ? 4.343 -57.101 -94.807 1.00 66.34 ? 19 ILE V C 1 ? ? +22789 ATOM O O . ILE Q 16 19 ? 4.254 -56.210 -93.965 1.00 65.49 ? 19 ILE V O 1 ? ? +22790 ATOM N N . THR Q 16 20 ? 4.015 -58.372 -94.558 1.00 66.44 ? 20 THR V N 1 ? ? +22791 ATOM C CA . THR Q 16 20 ? 3.652 -58.825 -93.227 1.00 65.92 ? 20 THR V CA 1 ? ? +22792 ATOM C CB . THR Q 16 20 ? 2.287 -59.521 -93.260 1.00 66.14 ? 20 THR V CB 1 ? ? +22793 ATOM O OG1 . THR Q 16 20 ? 1.331 -58.580 -93.745 1.00 66.30 ? 20 THR V OG1 1 ? ? +22794 ATOM C CG2 . THR Q 16 20 ? 1.848 -60.012 -91.908 1.00 65.59 ? 20 THR V CG2 1 ? ? +22795 ATOM C C . THR Q 16 20 ? 4.765 -59.708 -92.677 1.00 65.88 ? 20 THR V C 1 ? ? +22796 ATOM O O . THR Q 16 20 ? 5.101 -60.731 -93.261 1.00 66.41 ? 20 THR V O 1 ? ? +22797 ATOM N N . LEU Q 16 21 ? 5.337 -59.289 -91.549 1.00 65.55 ? 21 LEU V N 1 ? ? +22798 ATOM C CA . LEU Q 16 21 ? 6.417 -60.020 -90.910 1.00 65.74 ? 21 LEU V CA 1 ? ? +22799 ATOM C CB . LEU Q 16 21 ? 7.247 -59.070 -90.030 1.00 64.84 ? 21 LEU V CB 1 ? ? +22800 ATOM C CG . LEU Q 16 21 ? 7.795 -57.818 -90.707 1.00 64.60 ? 21 LEU V CG 1 ? ? +22801 ATOM C CD1 . LEU Q 16 21 ? 8.305 -56.865 -89.696 1.00 63.83 ? 21 LEU V CD1 1 ? ? +22802 ATOM C CD2 . LEU Q 16 21 ? 8.886 -58.155 -91.660 1.00 64.95 ? 21 LEU V CD2 1 ? ? +22803 ATOM C C . LEU Q 16 21 ? 5.848 -61.137 -90.044 1.00 66.36 ? 21 LEU V C 1 ? ? +22804 ATOM O O . LEU Q 16 21 ? 4.727 -61.029 -89.549 1.00 66.29 ? 21 LEU V O 1 ? ? +22805 ATOM N N . THR Q 16 22 ? 6.636 -62.203 -89.866 1.00 67.23 ? 22 THR V N 1 ? ? +22806 ATOM C CA . THR Q 16 22 ? 6.309 -63.256 -88.917 1.00 67.93 ? 22 THR V CA 1 ? ? +22807 ATOM C CB . THR Q 16 22 ? 7.030 -64.564 -89.253 1.00 68.36 ? 22 THR V CB 1 ? ? +22808 ATOM O OG1 . THR Q 16 22 ? 8.435 -64.377 -89.108 1.00 68.14 ? 22 THR V OG1 1 ? ? +22809 ATOM C CG2 . THR Q 16 22 ? 6.725 -65.050 -90.648 1.00 69.34 ? 22 THR V CG2 1 ? ? +22810 ATOM C C . THR Q 16 22 ? 6.678 -62.795 -87.510 1.00 67.90 ? 22 THR V C 1 ? ? +22811 ATOM O O . THR Q 16 22 ? 7.479 -61.878 -87.349 1.00 67.54 ? 22 THR V O 1 ? ? +22812 ATOM N N . GLU Q 16 23 ? 6.091 -63.446 -86.502 1.00 68.74 ? 23 GLU V N 1 ? ? +22813 ATOM C CA . GLU Q 16 23 ? 6.473 -63.220 -85.118 1.00 68.99 ? 23 GLU V CA 1 ? ? +22814 ATOM C CB . GLU Q 16 23 ? 5.600 -64.077 -84.176 1.00 69.80 ? 23 GLU V CB 1 ? ? +22815 ATOM C CG . GLU Q 16 23 ? 5.731 -63.721 -82.697 1.00 69.90 ? 23 GLU V CG 1 ? ? +22816 ATOM C CD . GLU Q 16 23 ? 4.655 -64.323 -81.807 1.00 70.90 ? 23 GLU V CD 1 ? ? +22817 ATOM O OE1 . GLU Q 16 23 ? 3.509 -64.443 -82.295 1.00 72.26 ? 23 GLU V OE1 1 ? ? +22818 ATOM O OE2 . GLU Q 16 23 ? 4.934 -64.630 -80.624 1.00 71.41 ? 23 GLU V OE2 1 ? ? +22819 ATOM C C . GLU Q 16 23 ? 7.962 -63.523 -84.935 1.00 68.96 ? 23 GLU V C 1 ? ? +22820 ATOM O O . GLU Q 16 23 ? 8.655 -62.836 -84.195 1.00 68.03 ? 23 GLU V O 1 ? ? +22821 ATOM N N . LYS Q 16 24 ? 8.463 -64.533 -85.648 1.00 70.09 ? 24 LYS V N 1 ? ? +22822 ATOM C CA . LYS Q 16 24 ? 9.864 -64.918 -85.572 1.00 70.77 ? 24 LYS V CA 1 ? ? +22823 ATOM C CB . LYS Q 16 24 ? 10.056 -66.266 -86.297 1.00 73.30 ? 24 LYS V CB 1 ? ? +22824 ATOM C CG . LYS Q 16 24 ? 11.475 -66.831 -86.339 1.00 75.03 ? 24 LYS V CG 1 ? ? +22825 ATOM C CD . LYS Q 16 24 ? 12.186 -66.558 -87.693 1.00 77.35 ? 24 LYS V CD 1 ? ? +22826 ATOM C CE . LYS Q 16 24 ? 13.600 -67.144 -87.779 1.00 78.76 ? 24 LYS V CE 1 ? ? +22827 ATOM N NZ . LYS Q 16 24 ? 14.256 -66.820 -89.098 1.00 79.47 ? 24 LYS V NZ 1 ? ? +22828 ATOM C C . LYS Q 16 24 ? 10.786 -63.836 -86.130 1.00 69.53 ? 24 LYS V C 1 ? ? +22829 ATOM O O . LYS Q 16 24 ? 11.824 -63.557 -85.534 1.00 68.83 ? 24 LYS V O 1 ? ? +22830 ATOM N N . GLN Q 16 25 ? 10.397 -63.221 -87.256 1.00 68.78 ? 25 GLN V N 1 ? ? +22831 ATOM C CA . GLN Q 16 25 ? 11.149 -62.113 -87.827 1.00 67.76 ? 25 GLN V CA 1 ? ? +22832 ATOM C CB . GLN Q 16 25 ? 10.533 -61.634 -89.142 1.00 68.38 ? 25 GLN V CB 1 ? ? +22833 ATOM C CG . GLN Q 16 25 ? 10.935 -62.471 -90.331 1.00 69.34 ? 25 GLN V CG 1 ? ? +22834 ATOM C CD . GLN Q 16 25 ? 10.237 -62.006 -91.589 1.00 70.21 ? 25 GLN V CD 1 ? ? +22835 ATOM O OE1 . GLN Q 16 25 ? 8.996 -61.992 -91.680 1.00 70.60 ? 25 GLN V OE1 1 ? ? +22836 ATOM N NE2 . GLN Q 16 25 ? 11.008 -61.644 -92.592 1.00 70.47 ? 25 GLN V NE2 1 ? ? +22837 ATOM C C . GLN Q 16 25 ? 11.236 -60.935 -86.860 1.00 66.26 ? 25 GLN V C 1 ? ? +22838 ATOM O O . GLN Q 16 25 ? 12.311 -60.386 -86.654 1.00 65.89 ? 25 GLN V O 1 ? ? +22839 ATOM N N . TYR Q 16 26 ? 10.092 -60.541 -86.292 1.00 65.26 ? 26 TYR V N 1 ? ? +22840 ATOM C CA . TYR Q 16 26 ? 10.045 -59.458 -85.324 1.00 63.82 ? 26 TYR V CA 1 ? ? +22841 ATOM C CB . TYR Q 16 26 ? 8.622 -59.274 -84.741 1.00 63.30 ? 26 TYR V CB 1 ? ? +22842 ATOM C CG . TYR Q 16 26 ? 8.607 -58.324 -83.566 1.00 62.15 ? 26 TYR V CG 1 ? ? +22843 ATOM C CD1 . TYR Q 16 26 ? 8.738 -56.957 -83.751 1.00 61.72 ? 26 TYR V CD1 1 ? ? +22844 ATOM C CD2 . TYR Q 16 26 ? 8.538 -58.798 -82.265 1.00 61.59 ? 26 TYR V CD2 1 ? ? +22845 ATOM C CE1 . TYR Q 16 26 ? 8.767 -56.084 -82.676 1.00 61.03 ? 26 TYR V CE1 1 ? ? +22846 ATOM C CE2 . TYR Q 16 26 ? 8.572 -57.935 -81.181 1.00 60.92 ? 26 TYR V CE2 1 ? ? +22847 ATOM C CZ . TYR Q 16 26 ? 8.690 -56.577 -81.392 1.00 60.70 ? 26 TYR V CZ 1 ? ? +22848 ATOM O OH . TYR Q 16 26 ? 8.726 -55.708 -80.336 1.00 60.47 ? 26 TYR V OH 1 ? ? +22849 ATOM C C . TYR Q 16 26 ? 11.041 -59.700 -84.191 1.00 63.11 ? 26 TYR V C 1 ? ? +22850 ATOM O O . TYR Q 16 26 ? 11.848 -58.828 -83.878 1.00 62.52 ? 26 TYR V O 1 ? ? +22851 ATOM N N . LEU Q 16 27 ? 10.959 -60.885 -83.573 1.00 63.05 ? 27 LEU V N 1 ? ? +22852 ATOM C CA . LEU Q 16 27 ? 11.781 -61.209 -82.418 1.00 62.48 ? 27 LEU V CA 1 ? ? +22853 ATOM C CB . LEU Q 16 27 ? 11.372 -62.556 -81.784 1.00 62.69 ? 27 LEU V CB 1 ? ? +22854 ATOM C CG . LEU Q 16 27 ? 10.045 -62.604 -81.021 1.00 62.62 ? 27 LEU V CG 1 ? ? +22855 ATOM C CD1 . LEU Q 16 27 ? 9.783 -63.994 -80.476 1.00 62.87 ? 27 LEU V CD1 1 ? ? +22856 ATOM C CD2 . LEU Q 16 27 ? 10.001 -61.581 -79.891 1.00 61.94 ? 27 LEU V CD2 1 ? ? +22857 ATOM C C . LEU Q 16 27 ? 13.255 -61.274 -82.803 1.00 62.54 ? 27 LEU V C 1 ? ? +22858 ATOM O O . LEU Q 16 27 ? 14.111 -60.926 -81.999 1.00 62.04 ? 27 LEU V O 1 ? ? +22859 ATOM N N . GLU Q 16 28 ? 13.533 -61.742 -84.024 1.00 63.25 ? 28 GLU V N 1 ? ? +22860 ATOM C CA . GLU Q 16 28 ? 14.888 -61.828 -84.543 1.00 63.55 ? 28 GLU V CA 1 ? ? +22861 ATOM C CB . GLU Q 16 28 ? 14.925 -62.695 -85.826 1.00 65.05 ? 28 GLU V CB 1 ? ? +22862 ATOM C CG . GLU Q 16 28 ? 15.186 -64.172 -85.549 1.00 66.21 ? 28 GLU V CG 1 ? ? +22863 ATOM C CD . GLU Q 16 28 ? 16.590 -64.471 -85.029 1.00 67.13 ? 28 GLU V CD 1 ? ? +22864 ATOM O OE1 . GLU Q 16 28 ? 17.553 -64.009 -85.683 1.00 68.03 ? 28 GLU V OE1 1 ? ? +22865 ATOM O OE2 . GLU Q 16 28 ? 16.741 -65.157 -83.986 1.00 67.84 ? 28 GLU V OE2 1 ? ? +22866 ATOM C C . GLU Q 16 28 ? 15.432 -60.420 -84.776 1.00 62.59 ? 28 GLU V C 1 ? ? +22867 ATOM O O . GLU Q 16 28 ? 16.587 -60.134 -84.463 1.00 62.42 ? 28 GLU V O 1 ? ? +22868 ATOM N N . GLY Q 16 29 ? 14.576 -59.537 -85.290 1.00 61.80 ? 29 GLY V N 1 ? ? +22869 ATOM C CA . GLY Q 16 29 ? 14.927 -58.141 -85.473 1.00 60.96 ? 29 GLY V CA 1 ? ? +22870 ATOM C C . GLY Q 16 29 ? 15.232 -57.426 -84.164 1.00 59.70 ? 29 GLY V C 1 ? ? +22871 ATOM O O . GLY Q 16 29 ? 16.101 -56.570 -84.125 1.00 59.23 ? 29 GLY V O 1 ? ? +22872 ATOM N N . LYS Q 16 30 ? 14.483 -57.759 -83.109 1.00 59.14 ? 30 LYS V N 1 ? ? +22873 ATOM C CA . LYS Q 16 30 ? 14.713 -57.197 -81.789 1.00 58.26 ? 30 LYS V CA 1 ? ? +22874 ATOM C CB . LYS Q 16 30 ? 13.622 -57.663 -80.820 1.00 58.03 ? 30 LYS V CB 1 ? ? +22875 ATOM C CG . LYS Q 16 30 ? 13.660 -56.948 -79.494 1.00 57.46 ? 30 LYS V CG 1 ? ? +22876 ATOM C CD . LYS Q 16 30 ? 12.561 -57.347 -78.541 1.00 57.38 ? 30 LYS V CD 1 ? ? +22877 ATOM C CE . LYS Q 16 30 ? 12.606 -56.478 -77.317 1.00 56.86 ? 30 LYS V CE 1 ? ? +22878 ATOM N NZ . LYS Q 16 30 ? 11.630 -56.918 -76.296 1.00 56.86 ? 30 LYS V NZ 1 ? ? +22879 ATOM C C . LYS Q 16 30 ? 16.098 -57.594 -81.274 1.00 57.91 ? 30 LYS V C 1 ? ? +22880 ATOM O O . LYS Q 16 30 ? 16.821 -56.761 -80.739 1.00 57.47 ? 30 LYS V O 1 ? ? +22881 ATOM N N . ARG Q 16 31 ? 16.448 -58.875 -81.442 1.00 58.07 ? 31 ARG V N 1 ? ? +22882 ATOM C CA . ARG Q 16 31 ? 17.702 -59.430 -80.963 1.00 57.95 ? 31 ARG V CA 1 ? ? +22883 ATOM C CB . ARG Q 16 31 ? 17.694 -60.954 -81.159 1.00 58.80 ? 31 ARG V CB 1 ? ? +22884 ATOM C CG . ARG Q 16 31 ? 18.965 -61.686 -80.696 1.00 59.26 ? 31 ARG V CG 1 ? ? +22885 ATOM C CD . ARG Q 16 31 ? 18.907 -63.193 -80.906 1.00 60.09 ? 31 ARG V CD 1 ? ? +22886 ATOM N NE . ARG Q 16 31 ? 18.954 -63.576 -82.317 1.00 61.12 ? 31 ARG V NE 1 ? ? +22887 ATOM C CZ . ARG Q 16 31 ? 20.016 -63.463 -83.110 1.00 61.60 ? 31 ARG V CZ 1 ? ? +22888 ATOM N NH1 . ARG Q 16 31 ? 21.195 -63.077 -82.643 1.00 61.41 ? 31 ARG V NH1 1 ? ? +22889 ATOM N NH2 . ARG Q 16 31 ? 19.885 -63.734 -84.408 1.00 62.18 ? 31 ARG V NH2 1 ? ? +22890 ATOM C C . ARG Q 16 31 ? 18.882 -58.805 -81.701 1.00 57.57 ? 31 ARG V C 1 ? ? +22891 ATOM O O . ARG Q 16 31 ? 19.882 -58.448 -81.093 1.00 57.05 ? 31 ARG V O 1 ? ? +22892 ATOM N N . LEU Q 16 32 ? 18.744 -58.701 -83.023 1.00 57.69 ? 32 LEU V N 1 ? ? +22893 ATOM C CA . LEU Q 16 32 ? 19.784 -58.146 -83.868 1.00 57.66 ? 32 LEU V CA 1 ? ? +22894 ATOM C CB . LEU Q 16 32 ? 19.445 -58.442 -85.316 1.00 58.30 ? 32 LEU V CB 1 ? ? +22895 ATOM C CG . LEU Q 16 32 ? 19.656 -59.884 -85.719 1.00 58.84 ? 32 LEU V CG 1 ? ? +22896 ATOM C CD1 . LEU Q 16 32 ? 19.106 -60.124 -87.063 1.00 59.52 ? 32 LEU V CD1 1 ? ? +22897 ATOM C CD2 . LEU Q 16 32 ? 21.158 -60.279 -85.721 1.00 58.98 ? 32 LEU V CD2 1 ? ? +22898 ATOM C C . LEU Q 16 32 ? 19.968 -56.646 -83.660 1.00 56.98 ? 32 LEU V C 1 ? ? +22899 ATOM O O . LEU Q 16 32 ? 21.093 -56.147 -83.727 1.00 56.87 ? 32 LEU V O 1 ? ? +22900 ATOM N N . PHE Q 16 33 ? 18.854 -55.950 -83.408 1.00 56.37 ? 33 PHE V N 1 ? ? +22901 ATOM C CA . PHE Q 16 33 ? 18.880 -54.548 -83.039 1.00 55.73 ? 33 PHE V CA 1 ? ? +22902 ATOM C CB . PHE Q 16 33 ? 17.447 -54.003 -82.931 1.00 55.53 ? 33 PHE V CB 1 ? ? +22903 ATOM C CG . PHE Q 16 33 ? 17.362 -52.554 -82.549 1.00 54.96 ? 33 PHE V CG 1 ? ? +22904 ATOM C CD1 . PHE Q 16 33 ? 17.493 -51.562 -83.501 1.00 55.06 ? 33 PHE V CD1 1 ? ? +22905 ATOM C CD2 . PHE Q 16 33 ? 17.189 -52.182 -81.229 1.00 54.30 ? 33 PHE V CD2 1 ? ? +22906 ATOM C CE1 . PHE Q 16 33 ? 17.413 -50.229 -83.138 1.00 54.66 ? 33 PHE V CE1 1 ? ? +22907 ATOM C CE2 . PHE Q 16 33 ? 17.125 -50.848 -80.871 1.00 53.86 ? 33 PHE V CE2 1 ? ? +22908 ATOM C CZ . PHE Q 16 33 ? 17.219 -49.881 -81.825 1.00 54.06 ? 33 PHE V CZ 1 ? ? +22909 ATOM C C . PHE Q 16 33 ? 19.633 -54.330 -81.729 1.00 55.10 ? 33 PHE V C 1 ? ? +22910 ATOM O O . PHE Q 16 33 ? 20.391 -53.372 -81.609 1.00 54.83 ? 33 PHE V O 1 ? ? +22911 ATOM N N . GLN Q 16 34 ? 19.404 -55.205 -80.741 1.00 54.88 ? 34 GLN V N 1 ? ? +22912 ATOM C CA . GLN Q 16 34 ? 20.138 -55.146 -79.487 1.00 54.43 ? 34 GLN V CA 1 ? ? +22913 ATOM C CB . GLN Q 16 34 ? 19.562 -56.137 -78.474 1.00 54.40 ? 34 GLN V CB 1 ? ? +22914 ATOM C CG . GLN Q 16 34 ? 18.197 -55.718 -77.967 1.00 54.31 ? 34 GLN V CG 1 ? ? +22915 ATOM C CD . GLN Q 16 34 ? 17.563 -56.707 -77.012 1.00 54.36 ? 34 GLN V CD 1 ? ? +22916 ATOM O OE1 . GLN Q 16 34 ? 18.190 -57.629 -76.514 1.00 54.52 ? 34 GLN V OE1 1 ? ? +22917 ATOM N NE2 . GLN Q 16 34 ? 16.287 -56.526 -76.730 1.00 54.37 ? 34 GLN V NE2 1 ? ? +22918 ATOM C C . GLN Q 16 34 ? 21.627 -55.423 -79.702 1.00 54.50 ? 34 GLN V C 1 ? ? +22919 ATOM O O . GLN Q 16 34 ? 22.482 -54.808 -79.085 1.00 54.19 ? 34 GLN V O 1 ? ? +22920 ATOM N N . TYR Q 16 35 ? 21.924 -56.363 -80.594 1.00 54.94 ? 35 TYR V N 1 ? ? +22921 ATOM C CA . TYR Q 16 35 ? 23.287 -56.781 -80.855 1.00 55.12 ? 35 TYR V CA 1 ? ? +22922 ATOM C CB . TYR Q 16 35 ? 23.239 -58.066 -81.712 1.00 55.83 ? 35 TYR V CB 1 ? ? +22923 ATOM C CG . TYR Q 16 35 ? 24.469 -58.349 -82.537 1.00 56.39 ? 35 TYR V CG 1 ? ? +22924 ATOM C CD1 . TYR Q 16 35 ? 25.611 -58.878 -81.959 1.00 56.43 ? 35 TYR V CD1 1 ? ? +22925 ATOM C CD2 . TYR Q 16 35 ? 24.484 -58.100 -83.901 1.00 56.93 ? 35 TYR V CD2 1 ? ? +22926 ATOM C CE1 . TYR Q 16 35 ? 26.741 -59.145 -82.714 1.00 56.94 ? 35 TYR V CE1 1 ? ? +22927 ATOM C CE2 . TYR Q 16 35 ? 25.608 -58.362 -84.667 1.00 57.43 ? 35 TYR V CE2 1 ? ? +22928 ATOM C CZ . TYR Q 16 35 ? 26.740 -58.881 -84.068 1.00 57.48 ? 35 TYR V CZ 1 ? ? +22929 ATOM O OH . TYR Q 16 35 ? 27.871 -59.131 -84.820 1.00 58.08 ? 35 TYR V OH 1 ? ? +22930 ATOM C C . TYR Q 16 35 ? 24.109 -55.661 -81.494 1.00 54.94 ? 35 TYR V C 1 ? ? +22931 ATOM O O . TYR Q 16 35 ? 25.210 -55.368 -81.036 1.00 54.73 ? 35 TYR V O 1 ? ? +22932 ATOM N N . ALA Q 16 36 ? 23.546 -55.007 -82.516 1.00 54.91 ? 36 ALA V N 1 ? ? +22933 ATOM C CA . ALA Q 16 36 ? 24.306 -54.107 -83.369 1.00 54.87 ? 36 ALA V CA 1 ? ? +22934 ATOM C CB . ALA Q 16 36 ? 24.169 -54.570 -84.806 1.00 55.52 ? 36 ALA V CB 1 ? ? +22935 ATOM C C . ALA Q 16 36 ? 23.922 -52.629 -83.285 1.00 54.32 ? 36 ALA V C 1 ? ? +22936 ATOM O O . ALA Q 16 36 ? 24.623 -51.790 -83.830 1.00 54.42 ? 36 ALA V O 1 ? ? +22937 ATOM N N . CYS Q 16 37 ? 22.808 -52.295 -82.630 1.00 53.78 ? 37 CYS V N 1 ? ? +22938 ATOM C CA . CYS Q 16 37 ? 22.265 -50.947 -82.726 1.00 53.40 ? 37 CYS V CA 1 ? ? +22939 ATOM C CB . CYS Q 16 37 ? 20.969 -50.971 -83.553 1.00 53.64 ? 37 CYS V CB 1 ? ? +22940 ATOM S SG . CYS Q 16 37 ? 21.069 -51.872 -85.125 1.00 54.35 ? 37 CYS V SG 1 ? ? +22941 ATOM C C . CYS Q 16 37 ? 21.938 -50.251 -81.407 1.00 52.65 ? 37 CYS V C 1 ? ? +22942 ATOM O O . CYS Q 16 37 ? 22.044 -49.029 -81.320 1.00 52.40 ? 37 CYS V O 1 ? ? +22943 ATOM N N . ALA Q 16 38 ? 21.503 -51.024 -80.401 1.00 52.32 ? 38 ALA V N 1 ? ? +22944 ATOM C CA . ALA Q 16 38 ? 20.944 -50.471 -79.174 1.00 51.68 ? 38 ALA V CA 1 ? ? +22945 ATOM C CB . ALA Q 16 38 ? 20.377 -51.582 -78.320 1.00 51.57 ? 38 ALA V CB 1 ? ? +22946 ATOM C C . ALA Q 16 38 ? 21.937 -49.661 -78.342 1.00 51.26 ? 38 ALA V C 1 ? ? +22947 ATOM O O . ALA Q 16 38 ? 21.524 -48.795 -77.568 1.00 50.78 ? 38 ALA V O 1 ? ? +22948 ATOM N N . SER Q 16 39 ? 23.239 -49.952 -78.490 1.00 51.40 ? 39 SER V N 1 ? ? +22949 ATOM C CA . SER Q 16 39 ? 24.248 -49.232 -77.731 1.00 51.04 ? 39 SER V CA 1 ? ? +22950 ATOM C CB . SER Q 16 39 ? 25.640 -49.725 -78.072 1.00 51.38 ? 39 SER V CB 1 ? ? +22951 ATOM O OG . SER Q 16 39 ? 25.944 -49.468 -79.431 1.00 51.89 ? 39 SER V OG 1 ? ? +22952 ATOM C C . SER Q 16 39 ? 24.122 -47.728 -77.964 1.00 50.86 ? 39 SER V C 1 ? ? +22953 ATOM O O . SER Q 16 39 ? 24.359 -46.940 -77.049 1.00 50.46 ? 39 SER V O 1 ? ? +22954 ATOM N N . CYS Q 16 40 ? 23.741 -47.334 -79.185 1.00 51.20 ? 40 CYS V N 1 ? ? +22955 ATOM C CA . CYS Q 16 40 ? 23.398 -45.949 -79.473 1.00 51.08 ? 40 CYS V CA 1 ? ? +22956 ATOM C CB . CYS Q 16 40 ? 24.066 -45.511 -80.773 1.00 51.60 ? 40 CYS V CB 1 ? ? +22957 ATOM S SG . CYS Q 16 40 ? 25.875 -45.671 -80.821 1.00 51.87 ? 40 CYS V SG 1 ? ? +22958 ATOM C C . CYS Q 16 40 ? 21.890 -45.664 -79.547 1.00 50.93 ? 40 CYS V C 1 ? ? +22959 ATOM O O . CYS Q 16 40 ? 21.465 -44.563 -79.219 1.00 50.55 ? 40 CYS V O 1 ? ? +22960 ATOM N N . HIS Q 16 41 ? 21.077 -46.643 -79.968 1.00 51.18 ? 41 HIS V N 1 ? ? +22961 ATOM C CA . HIS Q 16 41 ? 19.678 -46.384 -80.298 1.00 51.24 ? 41 HIS V CA 1 ? ? +22962 ATOM C CB . HIS Q 16 41 ? 19.386 -46.858 -81.735 1.00 51.86 ? 41 HIS V CB 1 ? ? +22963 ATOM C CG . HIS Q 16 41 ? 20.007 -46.031 -82.821 1.00 52.21 ? 41 HIS V CG 1 ? ? +22964 ATOM N ND1 . HIS Q 16 41 ? 19.670 -44.724 -83.008 1.00 52.10 ? 41 HIS V ND1 1 ? ? +22965 ATOM C CE1 . HIS Q 16 41 ? 20.378 -44.304 -84.052 1.00 52.52 ? 41 HIS V CE1 1 ? ? +22966 ATOM N NE2 . HIS Q 16 41 ? 21.143 -45.269 -84.529 1.00 52.90 ? 41 HIS V NE2 1 ? ? +22967 ATOM C CD2 . HIS Q 16 41 ? 20.916 -46.376 -83.756 1.00 52.68 ? 41 HIS V CD2 1 ? ? +22968 ATOM C C . HIS Q 16 41 ? 18.626 -46.991 -79.367 1.00 50.98 ? 41 HIS V C 1 ? ? +22969 ATOM O O . HIS Q 16 41 ? 17.459 -47.064 -79.726 1.00 51.11 ? 41 HIS V O 1 ? ? +22970 ATOM N N . VAL Q 16 42 ? 19.029 -47.407 -78.164 1.00 50.66 ? 42 VAL V N 1 ? ? +22971 ATOM C CA . VAL Q 16 42 ? 18.102 -47.946 -77.180 1.00 50.42 ? 42 VAL V CA 1 ? ? +22972 ATOM C CB . VAL Q 16 42 ? 18.758 -48.080 -75.784 1.00 49.99 ? 42 VAL V CB 1 ? ? +22973 ATOM C CG1 . VAL Q 16 42 ? 19.313 -46.752 -75.281 1.00 49.64 ? 42 VAL V CG1 1 ? ? +22974 ATOM C CG2 . VAL Q 16 42 ? 17.788 -48.661 -74.765 1.00 49.78 ? 42 VAL V CG2 1 ? ? +22975 ATOM C C . VAL Q 16 42 ? 16.818 -47.116 -77.096 1.00 50.27 ? 42 VAL V C 1 ? ? +22976 ATOM O O . VAL Q 16 42 ? 16.862 -45.900 -76.958 1.00 50.02 ? 42 VAL V O 1 ? ? +22977 ATOM N N . GLY Q 16 43 ? 15.667 -47.791 -77.194 1.00 50.47 ? 43 GLY V N 1 ? ? +22978 ATOM C CA . GLY Q 16 43 ? 14.384 -47.123 -77.055 1.00 50.38 ? 43 GLY V CA 1 ? ? +22979 ATOM C C . GLY Q 16 43 ? 13.996 -46.175 -78.188 1.00 50.71 ? 43 GLY V C 1 ? ? +22980 ATOM O O . GLY Q 16 43 ? 13.024 -45.434 -78.058 1.00 50.67 ? 43 GLY V O 1 ? ? +22981 ATOM N N . GLY Q 16 44 ? 14.762 -46.189 -79.285 1.00 51.13 ? 44 GLY V N 1 ? ? +22982 ATOM C CA . GLY Q 16 44 ? 14.455 -45.388 -80.461 1.00 51.54 ? 44 GLY V CA 1 ? ? +22983 ATOM C C . GLY Q 16 44 ? 15.020 -43.968 -80.510 1.00 51.40 ? 44 GLY V C 1 ? ? +22984 ATOM O O . GLY Q 16 44 ? 14.733 -43.221 -81.440 1.00 51.63 ? 44 GLY V O 1 ? ? +22985 ATOM N N . ILE Q 16 45 ? 15.816 -43.592 -79.505 1.00 51.10 ? 45 ILE V N 1 ? ? +22986 ATOM C CA . ILE Q 16 45 ? 16.584 -42.353 -79.550 1.00 51.08 ? 45 ILE V CA 1 ? ? +22987 ATOM C CB . ILE Q 16 45 ? 16.685 -41.720 -78.133 1.00 50.49 ? 45 ILE V CB 1 ? ? +22988 ATOM C CG1 . ILE Q 16 45 ? 17.444 -42.630 -77.149 1.00 50.27 ? 45 ILE V CG1 1 ? ? +22989 ATOM C CG2 . ILE Q 16 45 ? 15.289 -41.349 -77.625 1.00 50.25 ? 45 ILE V CG2 1 ? ? +22990 ATOM C CD1 . ILE Q 16 45 ? 18.739 -42.218 -76.811 1.00 50.15 ? 45 ILE V CD1 1 ? ? +22991 ATOM C C . ILE Q 16 45 ? 17.949 -42.588 -80.195 1.00 51.33 ? 45 ILE V C 1 ? ? +22992 ATOM O O . ILE Q 16 45 ? 18.187 -43.633 -80.784 1.00 51.55 ? 45 ILE V O 1 ? ? +22993 ATOM N N . THR Q 16 46 ? 18.797 -41.561 -80.150 1.00 51.35 ? 46 THR V N 1 ? ? +22994 ATOM C CA . THR Q 16 46 ? 20.181 -41.664 -80.594 1.00 51.69 ? 46 THR V CA 1 ? ? +22995 ATOM C CB . THR Q 16 46 ? 20.334 -41.103 -82.002 1.00 52.24 ? 46 THR V CB 1 ? ? +22996 ATOM O OG1 . THR Q 16 46 ? 19.324 -41.697 -82.843 1.00 52.59 ? 46 THR V OG1 1 ? ? +22997 ATOM C CG2 . THR Q 16 46 ? 21.728 -41.345 -82.568 1.00 52.58 ? 46 THR V CG2 1 ? ? +22998 ATOM C C . THR Q 16 46 ? 21.067 -40.939 -79.590 1.00 51.32 ? 46 THR V C 1 ? ? +22999 ATOM O O . THR Q 16 46 ? 21.033 -39.720 -79.503 1.00 51.16 ? 46 THR V O 1 ? ? +23000 ATOM N N A LYS Q 16 47 ? 21.857 -41.708 -78.836 0.40 51.24 ? 47 LYS V N 1 ? ? +23001 ATOM N N B LYS Q 16 47 ? 21.849 -41.710 -78.831 0.60 51.26 ? 47 LYS V N 1 ? ? +23002 ATOM C CA A LYS Q 16 47 ? 22.641 -41.162 -77.740 0.40 50.89 ? 47 LYS V CA 1 ? ? +23003 ATOM C CA B LYS Q 16 47 ? 22.641 -41.164 -77.740 0.60 50.92 ? 47 LYS V CA 1 ? ? +23004 ATOM C C A LYS Q 16 47 ? 23.740 -40.205 -78.196 0.40 51.08 ? 47 LYS V C 1 ? ? +23005 ATOM C C B LYS Q 16 47 ? 23.740 -40.208 -78.198 0.60 51.09 ? 47 LYS V C 1 ? ? +23006 ATOM O O A LYS Q 16 47 ? 24.033 -39.238 -77.499 0.40 50.81 ? 47 LYS V O 1 ? ? +23007 ATOM O O B LYS Q 16 47 ? 24.037 -39.243 -77.500 0.60 50.84 ? 47 LYS V O 1 ? ? +23008 ATOM C CB A LYS Q 16 47 ? 23.246 -42.297 -76.908 0.40 50.78 ? 47 LYS V CB 1 ? ? +23009 ATOM C CB B LYS Q 16 47 ? 23.247 -42.300 -76.907 0.60 50.83 ? 47 LYS V CB 1 ? ? +23010 ATOM C CG A LYS Q 16 47 ? 22.230 -42.951 -75.999 0.40 50.47 ? 47 LYS V CG 1 ? ? +23011 ATOM C CG B LYS Q 16 47 ? 22.228 -42.962 -76.011 0.60 50.53 ? 47 LYS V CG 1 ? ? +23012 ATOM C CD A LYS Q 16 47 ? 22.827 -43.998 -75.083 0.40 50.35 ? 47 LYS V CD 1 ? ? +23013 ATOM C CD B LYS Q 16 47 ? 22.822 -43.988 -75.084 0.60 50.42 ? 47 LYS V CD 1 ? ? +23014 ATOM C CE A LYS Q 16 47 ? 21.853 -44.383 -73.994 0.40 49.98 ? 47 LYS V CE 1 ? ? +23015 ATOM C CE B LYS Q 16 47 ? 21.834 -44.365 -74.000 0.60 50.06 ? 47 LYS V CE 1 ? ? +23016 ATOM N NZ A LYS Q 16 47 ? 22.398 -45.441 -73.100 0.40 49.90 ? 47 LYS V NZ 1 ? ? +23017 ATOM N NZ B LYS Q 16 47 ? 22.358 -45.430 -73.105 0.60 49.99 ? 47 LYS V NZ 1 ? ? +23018 ATOM N N . THR Q 16 48 ? 24.327 -40.465 -79.368 1.00 51.63 ? 48 THR V N 1 ? ? +23019 ATOM C CA . THR Q 16 48 ? 25.413 -39.630 -79.865 1.00 51.96 ? 48 THR V CA 1 ? ? +23020 ATOM C CB . THR Q 16 48 ? 26.450 -40.473 -80.592 1.00 52.43 ? 48 THR V CB 1 ? ? +23021 ATOM O OG1 . THR Q 16 48 ? 25.799 -41.234 -81.607 1.00 52.88 ? 48 THR V OG1 1 ? ? +23022 ATOM C CG2 . THR Q 16 48 ? 27.183 -41.384 -79.659 1.00 52.20 ? 48 THR V CG2 1 ? ? +23023 ATOM C C . THR Q 16 48 ? 24.924 -38.474 -80.731 1.00 52.26 ? 48 THR V C 1 ? ? +23024 ATOM O O . THR Q 16 48 ? 25.717 -37.656 -81.174 1.00 52.57 ? 48 THR V O 1 ? ? +23025 ATOM N N . ASN Q 16 49 ? 23.616 -38.408 -80.972 1.00 52.30 ? 49 ASN V N 1 ? ? +23026 ATOM C CA . ASN Q 16 49 ? 23.017 -37.257 -81.625 1.00 52.51 ? 49 ASN V CA 1 ? ? +23027 ATOM C CB . ASN Q 16 49 ? 23.306 -37.273 -83.106 1.00 53.20 ? 49 ASN V CB 1 ? ? +23028 ATOM C CG . ASN Q 16 49 ? 22.856 -36.025 -83.794 1.00 53.47 ? 49 ASN V CG 1 ? ? +23029 ATOM O OD1 . ASN Q 16 49 ? 22.118 -35.211 -83.241 1.00 53.25 ? 49 ASN V OD1 1 ? ? +23030 ATOM N ND2 . ASN Q 16 49 ? 23.298 -35.836 -85.004 1.00 54.08 ? 49 ASN V ND2 1 ? ? +23031 ATOM C C . ASN Q 16 49 ? 21.511 -37.234 -81.358 1.00 52.34 ? 49 ASN V C 1 ? ? +23032 ATOM O O . ASN Q 16 49 ? 20.719 -37.591 -82.228 1.00 52.66 ? 49 ASN V O 1 ? ? +23033 ATOM N N A PRO Q 16 50 ? 21.073 -36.803 -80.153 0.40 51.80 ? 50 PRO V N 1 ? ? +23034 ATOM N N B PRO Q 16 50 ? 21.075 -36.805 -80.151 0.60 51.79 ? 50 PRO V N 1 ? ? +23035 ATOM C CA A PRO Q 16 50 ? 19.664 -36.873 -79.760 0.40 51.63 ? 50 PRO V CA 1 ? ? +23036 ATOM C CA B PRO Q 16 50 ? 19.666 -36.869 -79.757 0.60 51.63 ? 50 PRO V CA 1 ? ? +23037 ATOM C C A PRO Q 16 50 ? 18.657 -36.107 -80.613 0.40 51.96 ? 50 PRO V C 1 ? ? +23038 ATOM C C B PRO Q 16 50 ? 18.658 -36.108 -80.614 0.60 51.97 ? 50 PRO V C 1 ? ? +23039 ATOM O O A PRO Q 16 50 ? 17.457 -36.281 -80.430 0.40 51.96 ? 50 PRO V O 1 ? ? +23040 ATOM O O B PRO Q 16 50 ? 17.458 -36.288 -80.435 0.60 52.00 ? 50 PRO V O 1 ? ? +23041 ATOM C CB A PRO Q 16 50 ? 19.683 -36.308 -78.341 0.40 51.01 ? 50 PRO V CB 1 ? ? +23042 ATOM C CB B PRO Q 16 50 ? 19.691 -36.300 -78.341 0.60 51.00 ? 50 PRO V CB 1 ? ? +23043 ATOM C CG A PRO Q 16 50 ? 21.099 -36.534 -77.870 0.40 50.90 ? 50 PRO V CG 1 ? ? +23044 ATOM C CG B PRO Q 16 50 ? 21.105 -36.537 -77.871 0.60 50.90 ? 50 PRO V CG 1 ? ? +23045 ATOM C CD A PRO Q 16 50 ? 21.922 -36.275 -79.074 0.40 51.40 ? 50 PRO V CD 1 ? ? +23046 ATOM C CD B PRO Q 16 50 ? 21.925 -36.278 -79.073 0.60 51.39 ? 50 PRO V CD 1 ? ? +23047 ATOM N N . SER Q 16 51 ? 19.143 -35.270 -81.536 1.00 52.37 ? 51 SER V N 1 ? ? +23048 ATOM C CA . SER Q 16 51 ? 18.275 -34.564 -82.463 1.00 52.77 ? 51 SER V CA 1 ? ? +23049 ATOM C CB . SER Q 16 51 ? 19.061 -33.514 -83.228 1.00 53.10 ? 51 SER V CB 1 ? ? +23050 ATOM O OG . SER Q 16 51 ? 19.499 -32.496 -82.353 1.00 52.73 ? 51 SER V OG 1 ? ? +23051 ATOM C C . SER Q 16 51 ? 17.555 -35.464 -83.466 1.00 53.33 ? 51 SER V C 1 ? ? +23052 ATOM O O . SER Q 16 51 ? 16.498 -35.087 -83.975 1.00 53.72 ? 51 SER V O 1 ? ? +23053 ATOM N N . LEU Q 16 52 ? 18.139 -36.630 -83.765 1.00 53.54 ? 52 LEU V N 1 ? ? +23054 ATOM C CA . LEU Q 16 52 ? 17.570 -37.565 -84.717 1.00 54.09 ? 52 LEU V CA 1 ? ? +23055 ATOM C CB . LEU Q 16 52 ? 18.554 -37.875 -85.834 1.00 54.73 ? 52 LEU V CB 1 ? ? +23056 ATOM C CG . LEU Q 16 52 ? 18.912 -36.718 -86.740 1.00 55.20 ? 52 LEU V CG 1 ? ? +23057 ATOM C CD1 . LEU Q 16 52 ? 19.877 -37.154 -87.815 1.00 55.81 ? 52 LEU V CD1 1 ? ? +23058 ATOM C CD2 . LEU Q 16 52 ? 17.710 -36.138 -87.418 1.00 55.53 ? 52 LEU V CD2 1 ? ? +23059 ATOM C C . LEU Q 16 52 ? 17.171 -38.863 -84.027 1.00 53.92 ? 52 LEU V C 1 ? ? +23060 ATOM O O . LEU Q 16 52 ? 18.000 -39.516 -83.409 1.00 53.67 ? 52 LEU V O 1 ? ? +23061 ATOM N N . ASP Q 16 53 ? 15.888 -39.229 -84.152 1.00 54.14 ? 53 ASP V N 1 ? ? +23062 ATOM C CA . ASP Q 16 53 ? 15.368 -40.441 -83.541 1.00 53.99 ? 53 ASP V CA 1 ? ? +23063 ATOM C CB . ASP Q 16 53 ? 14.242 -40.114 -82.567 1.00 53.51 ? 53 ASP V CB 1 ? ? +23064 ATOM C CG . ASP Q 16 53 ? 13.116 -39.347 -83.160 1.00 53.71 ? 53 ASP V CG 1 ? ? +23065 ATOM O OD1 . ASP Q 16 53 ? 12.713 -39.666 -84.289 1.00 54.18 ? 53 ASP V OD1 1 ? ? +23066 ATOM O OD2 . ASP Q 16 53 ? 12.622 -38.455 -82.493 1.00 53.46 ? 53 ASP V OD2 1 ? ? +23067 ATOM C C . ASP Q 16 53 ? 14.903 -41.428 -84.604 1.00 54.66 ? 53 ASP V C 1 ? ? +23068 ATOM O O . ASP Q 16 53 ? 15.025 -41.161 -85.797 1.00 55.15 ? 53 ASP V O 1 ? ? +23069 ATOM N N . LEU Q 16 54 ? 14.406 -42.583 -84.147 1.00 54.78 ? 54 LEU V N 1 ? ? +23070 ATOM C CA . LEU Q 16 54 ? 13.889 -43.614 -85.030 1.00 55.54 ? 54 LEU V CA 1 ? ? +23071 ATOM C CB . LEU Q 16 54 ? 14.474 -44.968 -84.601 1.00 55.42 ? 54 LEU V CB 1 ? ? +23072 ATOM C CG . LEU Q 16 54 ? 16.013 -45.028 -84.546 1.00 55.33 ? 54 LEU V CG 1 ? ? +23073 ATOM C CD1 . LEU Q 16 54 ? 16.496 -46.436 -84.321 1.00 55.41 ? 54 LEU V CD1 1 ? ? +23074 ATOM C CD2 . LEU Q 16 54 ? 16.635 -44.492 -85.803 1.00 55.77 ? 54 LEU V CD2 1 ? ? +23075 ATOM C C . LEU Q 16 54 ? 12.363 -43.670 -85.032 1.00 55.96 ? 54 LEU V C 1 ? ? +23076 ATOM O O . LEU Q 16 54 ? 11.790 -44.715 -85.312 1.00 56.33 ? 54 LEU V O 1 ? ? +23077 ATOM N N . ARG Q 16 55 ? 11.711 -42.545 -84.716 1.00 56.19 ? 55 ARG V N 1 ? ? +23078 ATOM C CA . ARG Q 16 55 ? 10.273 -42.430 -84.879 1.00 56.83 ? 55 ARG V CA 1 ? ? +23079 ATOM C CB . ARG Q 16 55 ? 9.744 -41.124 -84.306 1.00 57.18 ? 55 ARG V CB 1 ? ? +23080 ATOM C CG . ARG Q 16 55 ? 9.763 -41.128 -82.819 1.00 57.42 ? 55 ARG V CG 1 ? ? +23081 ATOM C CD . ARG Q 16 55 ? 9.152 -39.908 -82.190 1.00 58.22 ? 55 ARG V CD 1 ? ? +23082 ATOM N NE . ARG Q 16 55 ? 8.736 -40.205 -80.819 1.00 59.00 ? 55 ARG V NE 1 ? ? +23083 ATOM C CZ . ARG Q 16 55 ? 8.490 -39.294 -79.883 1.00 59.68 ? 55 ARG V CZ 1 ? ? +23084 ATOM N NH1 . ARG Q 16 55 ? 8.756 -38.009 -80.079 1.00 60.45 ? 55 ARG V NH1 1 ? ? +23085 ATOM N NH2 . ARG Q 16 55 ? 7.974 -39.680 -78.721 1.00 59.29 ? 55 ARG V NH2 1 ? ? +23086 ATOM C C . ARG Q 16 55 ? 9.927 -42.511 -86.362 1.00 57.39 ? 55 ARG V C 1 ? ? +23087 ATOM O O . ARG Q 16 55 ? 10.655 -41.990 -87.204 1.00 57.68 ? 55 ARG V O 1 ? ? +23088 ATOM N N . THR Q 16 56 ? 8.812 -43.178 -86.668 1.00 57.56 ? 56 THR V N 1 ? ? +23089 ATOM C CA . THR Q 16 56 ? 8.337 -43.308 -88.033 1.00 58.10 ? 56 THR V CA 1 ? ? +23090 ATOM C CB . THR Q 16 56 ? 7.031 -44.135 -88.044 1.00 58.37 ? 56 THR V CB 1 ? ? +23091 ATOM O OG1 . THR Q 16 56 ? 7.245 -45.364 -87.364 1.00 58.14 ? 56 THR V OG1 1 ? ? +23092 ATOM C CG2 . THR Q 16 56 ? 6.551 -44.427 -89.435 1.00 59.12 ? 56 THR V CG2 1 ? ? +23093 ATOM C C . THR Q 16 56 ? 8.170 -41.935 -88.681 1.00 58.21 ? 56 THR V C 1 ? ? +23094 ATOM O O . THR Q 16 56 ? 8.501 -41.764 -89.850 1.00 58.61 ? 56 THR V O 1 ? ? +23095 ATOM N N . GLU Q 16 57 ? 7.670 -40.957 -87.915 1.00 57.87 ? 57 GLU V N 1 ? ? +23096 ATOM C CA . GLU Q 16 57 ? 7.445 -39.614 -88.427 1.00 58.14 ? 57 GLU V CA 1 ? ? +23097 ATOM C CB . GLU Q 16 57 ? 6.776 -38.733 -87.372 1.00 58.16 ? 57 GLU V CB 1 ? ? +23098 ATOM C CG . GLU Q 16 57 ? 5.394 -39.198 -86.956 1.00 58.66 ? 57 GLU V CG 1 ? ? +23099 ATOM C CD . GLU Q 16 57 ? 5.347 -40.322 -85.935 1.00 58.68 ? 57 GLU V CD 1 ? ? +23100 ATOM O OE1 . GLU Q 16 57 ? 6.399 -40.639 -85.324 1.00 57.94 ? 57 GLU V OE1 1 ? ? +23101 ATOM O OE2 . GLU Q 16 57 ? 4.234 -40.895 -85.769 1.00 59.53 ? 57 GLU V OE2 1 ? ? +23102 ATOM C C . GLU Q 16 57 ? 8.742 -38.937 -88.861 1.00 57.77 ? 57 GLU V C 1 ? ? +23103 ATOM O O . GLU Q 16 57 ? 8.789 -38.267 -89.887 1.00 58.05 ? 57 GLU V O 1 ? ? +23104 ATOM N N . THR Q 16 58 ? 9.784 -39.108 -88.041 1.00 57.05 ? 58 THR V N 1 ? ? +23105 ATOM C CA . THR Q 16 58 ? 11.116 -38.616 -88.350 1.00 56.77 ? 58 THR V CA 1 ? ? +23106 ATOM C CB . THR Q 16 58 ? 12.047 -38.827 -87.173 1.00 56.18 ? 58 THR V CB 1 ? ? +23107 ATOM O OG1 . THR Q 16 58 ? 11.408 -38.336 -85.990 1.00 55.68 ? 58 THR V OG1 1 ? ? +23108 ATOM C CG2 . THR Q 16 58 ? 13.406 -38.138 -87.378 1.00 56.18 ? 58 THR V CG2 1 ? ? +23109 ATOM C C . THR Q 16 58 ? 11.683 -39.295 -89.591 1.00 57.15 ? 58 THR V C 1 ? ? +23110 ATOM O O . THR Q 16 58 ? 12.249 -38.635 -90.451 1.00 57.49 ? 58 THR V O 1 ? ? +23111 ATOM N N . LEU Q 16 59 ? 11.523 -40.620 -89.668 1.00 57.09 ? 59 LEU V N 1 ? ? +23112 ATOM C CA . LEU Q 16 59 ? 12.026 -41.398 -90.788 1.00 57.55 ? 59 LEU V CA 1 ? ? +23113 ATOM C CB . LEU Q 16 59 ? 11.836 -42.895 -90.488 1.00 57.49 ? 59 LEU V CB 1 ? ? +23114 ATOM C CG . LEU Q 16 59 ? 12.690 -43.465 -89.348 1.00 56.87 ? 59 LEU V CG 1 ? ? +23115 ATOM C CD1 . LEU Q 16 59 ? 12.334 -44.893 -89.054 1.00 56.88 ? 59 LEU V CD1 1 ? ? +23116 ATOM C CD2 . LEU Q 16 59 ? 14.206 -43.365 -89.661 1.00 56.92 ? 59 LEU V CD2 1 ? ? +23117 ATOM C C . LEU Q 16 59 ? 11.346 -41.038 -92.106 1.00 58.25 ? 59 LEU V C 1 ? ? +23118 ATOM O O . LEU Q 16 59 ? 11.975 -41.110 -93.160 1.00 58.68 ? 59 LEU V O 1 ? ? +23119 ATOM N N . ALA Q 16 60 ? 10.056 -40.667 -92.030 1.00 58.34 ? 60 ALA V N 1 ? ? +23120 ATOM C CA . ALA Q 16 60 ? 9.273 -40.267 -93.188 1.00 58.96 ? 60 ALA V CA 1 ? ? +23121 ATOM C CB . ALA Q 16 60 ? 7.829 -40.041 -92.789 1.00 58.94 ? 60 ALA V CB 1 ? ? +23122 ATOM C C . ALA Q 16 60 ? 9.818 -39.004 -93.843 1.00 59.15 ? 60 ALA V C 1 ? ? +23123 ATOM O O . ALA Q 16 60 ? 9.780 -38.879 -95.062 1.00 59.89 ? 60 ALA V O 1 ? ? +23124 ATOM N N . LEU Q 16 61 ? 10.312 -38.069 -93.025 1.00 58.59 ? 61 LEU V N 1 ? ? +23125 ATOM C CA . LEU Q 16 61 ? 10.802 -36.792 -93.524 1.00 58.76 ? 61 LEU V CA 1 ? ? +23126 ATOM C CB . LEU Q 16 61 ? 10.484 -35.709 -92.488 1.00 58.20 ? 61 LEU V CB 1 ? ? +23127 ATOM C CG . LEU Q 16 61 ? 8.986 -35.347 -92.373 1.00 58.25 ? 61 LEU V CG 1 ? ? +23128 ATOM C CD1 . LEU Q 16 61 ? 8.767 -34.304 -91.339 1.00 57.72 ? 61 LEU V CD1 1 ? ? +23129 ATOM C CD2 . LEU Q 16 61 ? 8.417 -34.876 -93.694 1.00 58.98 ? 61 LEU V CD2 1 ? ? +23130 ATOM C C . LEU Q 16 61 ? 12.294 -36.786 -93.861 1.00 58.81 ? 61 LEU V C 1 ? ? +23131 ATOM O O . LEU Q 16 61 ? 12.833 -35.761 -94.274 1.00 59.02 ? 61 LEU V O 1 ? ? +23132 ATOM N N . ALA Q 16 62 ? 12.946 -37.943 -93.707 1.00 58.69 ? 62 ALA V N 1 ? ? +23133 ATOM C CA . ALA Q 16 62 ? 14.322 -38.109 -94.135 1.00 58.82 ? 62 ALA V CA 1 ? ? +23134 ATOM C CB . ALA Q 16 62 ? 14.891 -39.410 -93.592 1.00 58.56 ? 62 ALA V CB 1 ? ? +23135 ATOM C C . ALA Q 16 62 ? 14.371 -38.090 -95.656 1.00 59.64 ? 62 ALA V C 1 ? ? +23136 ATOM O O . ALA Q 16 62 ? 13.343 -38.267 -96.305 1.00 60.06 ? 62 ALA V O 1 ? ? +23137 ATOM N N . THR Q 16 63 ? 15.576 -37.868 -96.201 1.00 59.90 ? 63 THR V N 1 ? ? +23138 ATOM C CA . THR Q 16 63 ? 15.818 -37.929 -97.635 1.00 60.66 ? 63 THR V CA 1 ? ? +23139 ATOM C CB . THR Q 16 63 ? 16.195 -36.542 -98.158 1.00 60.91 ? 63 THR V CB 1 ? ? +23140 ATOM O OG1 . THR Q 16 63 ? 15.188 -35.603 -97.799 1.00 60.84 ? 63 THR V OG1 1 ? ? +23141 ATOM C CG2 . THR Q 16 63 ? 16.366 -36.516 -99.636 1.00 61.75 ? 63 THR V CG2 1 ? ? +23142 ATOM C C . THR Q 16 63 ? 16.908 -38.954 -97.948 1.00 60.81 ? 63 THR V C 1 ? ? +23143 ATOM O O . THR Q 16 63 ? 18.025 -38.829 -97.465 1.00 60.56 ? 63 THR V O 1 ? ? +23144 ATOM N N . PRO Q 16 64 ? 16.642 -40.028 -98.724 1.00 61.26 ? 64 PRO V N 1 ? ? +23145 ATOM C CA . PRO Q 16 64 ? 15.288 -40.388 -99.152 1.00 61.54 ? 64 PRO V CA 1 ? ? +23146 ATOM C CB . PRO Q 16 64 ? 15.529 -41.439 -100.226 1.00 62.24 ? 64 PRO V CB 1 ? ? +23147 ATOM C CG . PRO Q 16 64 ? 16.859 -42.069 -99.825 1.00 62.02 ? 64 PRO V CG 1 ? ? +23148 ATOM C CD . PRO Q 16 64 ? 17.668 -40.968 -99.206 1.00 61.55 ? 64 PRO V CD 1 ? ? +23149 ATOM C C . PRO Q 16 64 ? 14.489 -40.950 -97.983 1.00 60.91 ? 64 PRO V C 1 ? ? +23150 ATOM O O . PRO Q 16 64 ? 15.057 -41.260 -96.941 1.00 60.30 ? 64 PRO V O 1 ? ? +23151 ATOM N N . PRO Q 16 65 ? 13.154 -41.107 -98.111 1.00 61.15 ? 65 PRO V N 1 ? ? +23152 ATOM C CA . PRO Q 16 65 ? 12.328 -41.578 -96.995 1.00 60.64 ? 65 PRO V CA 1 ? ? +23153 ATOM C CB . PRO Q 16 65 ? 10.943 -41.723 -97.621 1.00 61.07 ? 65 PRO V CB 1 ? ? +23154 ATOM C CG . PRO Q 16 65 ? 10.966 -40.808 -98.805 1.00 61.69 ? 65 PRO V CG 1 ? ? +23155 ATOM C CD . PRO Q 16 65 ? 12.367 -40.837 -99.324 1.00 61.88 ? 65 PRO V CD 1 ? ? +23156 ATOM C C . PRO Q 16 65 ? 12.833 -42.896 -96.411 1.00 60.44 ? 65 PRO V C 1 ? ? +23157 ATOM O O . PRO Q 16 65 ? 13.245 -43.784 -97.152 1.00 60.98 ? 65 PRO V O 1 ? ? +23158 ATOM N N . ARG Q 16 66 ? 12.799 -43.007 -95.080 1.00 59.76 ? 66 ARG V N 1 ? ? +23159 ATOM C CA . ARG Q 16 66 ? 13.259 -44.198 -94.385 1.00 59.55 ? 66 ARG V CA 1 ? ? +23160 ATOM C CB . ARG Q 16 66 ? 14.415 -43.812 -93.431 1.00 59.02 ? 66 ARG V CB 1 ? ? +23161 ATOM C CG . ARG Q 16 66 ? 15.560 -43.016 -94.092 1.00 59.32 ? 66 ARG V CG 1 ? ? +23162 ATOM C CD . ARG Q 16 66 ? 16.296 -43.820 -95.140 1.00 59.98 ? 66 ARG V CD 1 ? ? +23163 ATOM N NE . ARG Q 16 66 ? 17.462 -43.118 -95.658 1.00 60.27 ? 66 ARG V NE 1 ? ? +23164 ATOM C CZ . ARG Q 16 66 ? 18.347 -43.650 -96.497 1.00 60.84 ? 66 ARG V CZ 1 ? ? +23165 ATOM N NH1 . ARG Q 16 66 ? 18.172 -44.853 -97.021 1.00 61.23 ? 66 ARG V NH1 1 ? ? +23166 ATOM N NH2 . ARG Q 16 66 ? 19.435 -42.954 -96.822 1.00 60.97 ? 66 ARG V NH2 1 ? ? +23167 ATOM C C . ARG Q 16 66 ? 12.133 -44.898 -93.614 1.00 59.27 ? 66 ARG V C 1 ? ? +23168 ATOM O O . ARG Q 16 66 ? 12.392 -45.781 -92.799 1.00 58.91 ? 66 ARG V O 1 ? ? +23169 ATOM N N . ASP Q 16 67 ? 10.878 -44.530 -93.898 1.00 59.48 ? 67 ASP V N 1 ? ? +23170 ATOM C CA . ASP Q 16 67 ? 9.735 -45.073 -93.179 1.00 59.34 ? 67 ASP V CA 1 ? ? +23171 ATOM C CB . ASP Q 16 67 ? 8.644 -43.995 -93.039 1.00 59.36 ? 67 ASP V CB 1 ? ? +23172 ATOM C CG . ASP Q 16 67 ? 8.021 -43.525 -94.334 1.00 60.11 ? 67 ASP V CG 1 ? ? +23173 ATOM O OD1 . ASP Q 16 67 ? 8.722 -43.518 -95.355 1.00 60.67 ? 67 ASP V OD1 1 ? ? +23174 ATOM O OD2 . ASP Q 16 67 ? 6.849 -43.121 -94.313 1.00 60.29 ? 67 ASP V OD2 1 ? ? +23175 ATOM C C . ASP Q 16 67 ? 9.170 -46.315 -93.865 1.00 59.90 ? 67 ASP V C 1 ? ? +23176 ATOM O O . ASP Q 16 67 ? 7.960 -46.490 -93.930 1.00 60.14 ? 67 ASP V O 1 ? ? +23177 ATOM N N . ASN Q 16 68 ? 10.066 -47.167 -94.374 1.00 60.09 ? 68 ASN V N 1 ? ? +23178 ATOM C CA . ASN Q 16 68 ? 9.693 -48.382 -95.073 1.00 60.58 ? 68 ASN V CA 1 ? ? +23179 ATOM C CB . ASN Q 16 68 ? 9.210 -48.074 -96.469 1.00 61.35 ? 68 ASN V CB 1 ? ? +23180 ATOM C CG . ASN Q 16 68 ? 10.227 -47.392 -97.343 1.00 61.61 ? 68 ASN V CG 1 ? ? +23181 ATOM O OD1 . ASN Q 16 68 ? 11.152 -48.006 -97.876 1.00 61.87 ? 68 ASN V OD1 1 ? ? +23182 ATOM N ND2 . ASN Q 16 68 ? 10.059 -46.104 -97.544 1.00 61.63 ? 68 ASN V ND2 1 ? ? +23183 ATOM C C . ASN Q 16 68 ? 10.903 -49.311 -95.085 1.00 60.51 ? 68 ASN V C 1 ? ? +23184 ATOM O O . ASN Q 16 68 ? 12.005 -48.867 -94.790 1.00 60.14 ? 68 ASN V O 1 ? ? +23185 ATOM N N . ILE Q 16 69 ? 10.682 -50.586 -95.424 1.00 60.86 ? 69 ILE V N 1 ? ? +23186 ATOM C CA . ILE Q 16 69 ? 11.712 -51.609 -95.344 1.00 60.86 ? 69 ILE V CA 1 ? ? +23187 ATOM C CB . ILE Q 16 69 ? 11.109 -53.011 -95.651 1.00 61.38 ? 69 ILE V CB 1 ? ? +23188 ATOM C CG1 . ILE Q 16 69 ? 10.079 -53.455 -94.594 1.00 61.05 ? 69 ILE V CG1 1 ? ? +23189 ATOM C CG2 . ILE Q 16 69 ? 12.192 -54.074 -95.814 1.00 61.56 ? 69 ILE V CG2 1 ? ? +23190 ATOM C CD1 . ILE Q 16 69 ? 10.642 -53.759 -93.239 1.00 60.35 ? 69 ILE V CD1 1 ? ? +23191 ATOM C C . ILE Q 16 69 ? 12.891 -51.307 -96.269 1.00 61.15 ? 69 ILE V C 1 ? ? +23192 ATOM O O . ILE Q 16 69 ? 14.042 -51.387 -95.848 1.00 60.81 ? 69 ILE V O 1 ? ? +23193 ATOM N N . GLU Q 16 70 ? 12.590 -50.969 -97.530 1.00 61.76 ? 70 GLU V N 1 ? ? +23194 ATOM C CA . GLU Q 16 70 ? 13.612 -50.677 -98.522 1.00 62.11 ? 70 GLU V CA 1 ? ? +23195 ATOM C CB . GLU Q 16 70 ? 12.963 -50.397 -99.889 1.00 62.92 ? 70 GLU V CB 1 ? ? +23196 ATOM C CG . GLU Q 16 70 ? 12.348 -51.612 -100.537 1.00 63.54 ? 70 GLU V CG 1 ? ? +23197 ATOM C CD . GLU Q 16 70 ? 13.315 -52.724 -100.855 1.00 63.87 ? 70 GLU V CD 1 ? ? +23198 ATOM O OE1 . GLU Q 16 70 ? 14.521 -52.435 -101.032 1.00 63.89 ? 70 GLU V OE1 1 ? ? +23199 ATOM O OE2 . GLU Q 16 70 ? 12.876 -53.897 -100.881 1.00 64.17 ? 70 GLU V OE2 1 ? ? +23200 ATOM C C . GLU Q 16 70 ? 14.487 -49.488 -98.128 1.00 61.57 ? 70 GLU V C 1 ? ? +23201 ATOM O O . GLU Q 16 70 ? 15.699 -49.506 -98.346 1.00 61.72 ? 70 GLU V O 1 ? ? +23202 ATOM N N . GLY Q 16 71 ? 13.855 -48.454 -97.566 1.00 61.00 ? 71 GLY V N 1 ? ? +23203 ATOM C CA . GLY Q 16 71 ? 14.565 -47.280 -97.105 1.00 60.41 ? 71 GLY V CA 1 ? ? +23204 ATOM C C . GLY Q 16 71 ? 15.543 -47.598 -95.977 1.00 59.72 ? 71 GLY V C 1 ? ? +23205 ATOM O O . GLY Q 16 71 ? 16.650 -47.066 -95.951 1.00 59.66 ? 71 GLY V O 1 ? ? +23206 ATOM N N . LEU Q 16 72 ? 15.122 -48.462 -95.046 1.00 59.20 ? 72 LEU V N 1 ? ? +23207 ATOM C CA . LEU Q 16 72 ? 15.921 -48.789 -93.878 1.00 58.49 ? 72 LEU V CA 1 ? ? +23208 ATOM C CB . LEU Q 16 72 ? 15.049 -49.359 -92.770 1.00 57.99 ? 72 LEU V CB 1 ? ? +23209 ATOM C CG . LEU Q 16 72 ? 14.178 -48.360 -92.045 1.00 57.51 ? 72 LEU V CG 1 ? ? +23210 ATOM C CD1 . LEU Q 16 72 ? 13.362 -49.039 -90.961 1.00 57.13 ? 72 LEU V CD1 1 ? ? +23211 ATOM C CD2 . LEU Q 16 72 ? 14.981 -47.253 -91.445 1.00 56.99 ? 72 LEU V CD2 1 ? ? +23212 ATOM C C . LEU Q 16 72 ? 17.021 -49.786 -94.228 1.00 58.76 ? 72 LEU V C 1 ? ? +23213 ATOM O O . LEU Q 16 72 ? 18.122 -49.726 -93.678 1.00 58.39 ? 72 LEU V O 1 ? ? +23214 ATOM N N . VAL Q 16 73 ? 16.702 -50.710 -95.139 1.00 59.36 ? 73 VAL V N 1 ? ? +23215 ATOM C CA . VAL Q 16 73 ? 17.678 -51.674 -95.614 1.00 59.72 ? 73 VAL V CA 1 ? ? +23216 ATOM C CB . VAL Q 16 73 ? 16.985 -52.775 -96.441 1.00 60.35 ? 73 VAL V CB 1 ? ? +23217 ATOM C CG1 . VAL Q 16 73 ? 17.988 -53.677 -97.123 1.00 60.89 ? 73 VAL V CG1 1 ? ? +23218 ATOM C CG2 . VAL Q 16 73 ? 16.065 -53.612 -95.565 1.00 60.09 ? 73 VAL V CG2 1 ? ? +23219 ATOM C C . VAL Q 16 73 ? 18.790 -50.952 -96.376 1.00 59.98 ? 73 VAL V C 1 ? ? +23220 ATOM O O . VAL Q 16 73 ? 19.961 -51.281 -96.222 1.00 59.86 ? 73 VAL V O 1 ? ? +23221 ATOM N N . ASP Q 16 74 ? 18.405 -49.962 -97.191 1.00 60.31 ? 74 ASP V N 1 ? ? +23222 ATOM C CA . ASP Q 16 74 ? 19.355 -49.123 -97.901 1.00 60.62 ? 74 ASP V CA 1 ? ? +23223 ATOM C CB . ASP Q 16 74 ? 18.613 -48.157 -98.830 1.00 61.05 ? 74 ASP V CB 1 ? ? +23224 ATOM C CG . ASP Q 16 74 ? 19.525 -47.241 -99.623 1.00 61.43 ? 74 ASP V CG 1 ? ? +23225 ATOM O OD1 . ASP Q 16 74 ? 20.222 -47.733 -100.515 1.00 62.04 ? 74 ASP V OD1 1 ? ? +23226 ATOM O OD2 . ASP Q 16 74 ? 19.558 -46.039 -99.327 1.00 61.20 ? 74 ASP V OD2 1 ? ? +23227 ATOM C C . ASP Q 16 74 ? 20.256 -48.336 -96.948 1.00 60.02 ? 74 ASP V C 1 ? ? +23228 ATOM O O . ASP Q 16 74 ? 21.462 -48.252 -97.169 1.00 60.15 ? 74 ASP V O 1 ? ? +23229 ATOM N N . TYR Q 16 75 ? 19.653 -47.765 -95.896 1.00 59.37 ? 75 TYR V N 1 ? ? +23230 ATOM C CA . TYR Q 16 75 ? 20.387 -47.023 -94.882 1.00 58.75 ? 75 TYR V CA 1 ? ? +23231 ATOM C CB . TYR Q 16 75 ? 19.428 -46.480 -93.815 1.00 58.04 ? 75 TYR V CB 1 ? ? +23232 ATOM C CG . TYR Q 16 75 ? 20.084 -45.459 -92.909 1.00 57.40 ? 75 TYR V CG 1 ? ? +23233 ATOM C CD1 . TYR Q 16 75 ? 20.118 -44.116 -93.250 1.00 57.42 ? 75 TYR V CD1 1 ? ? +23234 ATOM C CD2 . TYR Q 16 75 ? 20.707 -45.842 -91.732 1.00 56.82 ? 75 TYR V CD2 1 ? ? +23235 ATOM C CE1 . TYR Q 16 75 ? 20.729 -43.178 -92.427 1.00 56.89 ? 75 TYR V CE1 1 ? ? +23236 ATOM C CE2 . TYR Q 16 75 ? 21.312 -44.910 -90.899 1.00 56.29 ? 75 TYR V CE2 1 ? ? +23237 ATOM C CZ . TYR Q 16 75 ? 21.326 -43.576 -91.254 1.00 56.32 ? 75 TYR V CZ 1 ? ? +23238 ATOM O OH . TYR Q 16 75 ? 21.928 -42.629 -90.458 1.00 55.84 ? 75 TYR V OH 1 ? ? +23239 ATOM C C . TYR Q 16 75 ? 21.482 -47.850 -94.200 1.00 58.62 ? 75 TYR V C 1 ? ? +23240 ATOM O O . TYR Q 16 75 ? 22.545 -47.323 -93.871 1.00 58.46 ? 75 TYR V O 1 ? ? +23241 ATOM N N . MET Q 16 76 ? 21.206 -49.143 -93.975 1.00 58.73 ? 76 MET V N 1 ? ? +23242 ATOM C CA . MET Q 16 76 ? 22.138 -50.036 -93.305 1.00 58.55 ? 76 MET V CA 1 ? ? +23243 ATOM C CB . MET Q 16 76 ? 21.403 -51.254 -92.739 1.00 58.45 ? 76 MET V CB 1 ? ? +23244 ATOM C CG . MET Q 16 76 ? 20.500 -50.895 -91.594 1.00 57.86 ? 76 MET V CG 1 ? ? +23245 ATOM S SD . MET Q 16 76 ? 19.766 -52.316 -90.805 1.00 57.79 ? 76 MET V SD 1 ? ? +23246 ATOM C CE . MET Q 16 76 ? 18.044 -51.973 -91.121 1.00 57.91 ? 76 MET V CE 1 ? ? +23247 ATOM C C . MET Q 16 76 ? 23.233 -50.498 -94.258 1.00 59.18 ? 76 MET V C 1 ? ? +23248 ATOM O O . MET Q 16 76 ? 24.229 -51.073 -93.826 1.00 59.10 ? 76 MET V O 1 ? ? +23249 ATOM N N . LYS Q 16 77 ? 23.013 -50.274 -95.558 1.00 59.85 ? 77 LYS V N 1 ? ? +23250 ATOM C CA . LYS Q 16 77 ? 24.017 -50.532 -96.573 1.00 60.54 ? 77 LYS V CA 1 ? ? +23251 ATOM C CB . LYS Q 16 77 ? 23.360 -50.997 -97.869 1.00 61.21 ? 77 LYS V CB 1 ? ? +23252 ATOM C CG . LYS Q 16 77 ? 22.807 -52.395 -97.771 1.00 61.33 ? 77 LYS V CG 1 ? ? +23253 ATOM C CD . LYS Q 16 77 ? 21.932 -52.753 -98.925 1.00 61.97 ? 77 LYS V CD 1 ? ? +23254 ATOM C CE . LYS Q 16 77 ? 21.359 -54.123 -98.747 1.00 62.07 ? 77 LYS V CE 1 ? ? +23255 ATOM N NZ . LYS Q 16 77 ? 20.447 -54.465 -99.848 1.00 62.73 ? 77 LYS V NZ 1 ? ? +23256 ATOM C C . LYS Q 16 77 ? 24.855 -49.282 -96.830 1.00 60.68 ? 77 LYS V C 1 ? ? +23257 ATOM O O . LYS Q 16 77 ? 26.075 -49.360 -96.922 1.00 60.83 ? 77 LYS V O 1 ? ? +23258 ATOM N N . ASN Q 16 78 ? 24.181 -48.134 -96.940 1.00 60.65 ? 78 ASN V N 1 ? ? +23259 ATOM C CA . ASN Q 16 78 ? 24.838 -46.894 -97.304 1.00 60.84 ? 78 ASN V CA 1 ? ? +23260 ATOM C CB . ASN Q 16 78 ? 24.863 -46.734 -98.819 1.00 61.74 ? 78 ASN V CB 1 ? ? +23261 ATOM C CG . ASN Q 16 78 ? 25.688 -45.555 -99.251 1.00 62.03 ? 78 ASN V CG 1 ? ? +23262 ATOM O OD1 . ASN Q 16 78 ? 26.731 -45.252 -98.643 1.00 62.03 ? 78 ASN V OD1 1 ? ? +23263 ATOM N ND2 . ASN Q 16 78 ? 25.262 -44.849 -100.262 1.00 62.49 ? 78 ASN V ND2 1 ? ? +23264 ATOM C C . ASN Q 16 78 ? 24.150 -45.709 -96.638 1.00 60.35 ? 78 ASN V C 1 ? ? +23265 ATOM O O . ASN Q 16 78 ? 23.359 -45.009 -97.269 1.00 60.58 ? 78 ASN V O 1 ? ? +23266 ATOM N N . PRO Q 16 79 ? 24.452 -45.436 -95.348 1.00 59.75 ? 79 PRO V N 1 ? ? +23267 ATOM C CA . PRO Q 16 79 ? 23.754 -44.387 -94.604 1.00 59.23 ? 79 PRO V CA 1 ? ? +23268 ATOM C CB . PRO Q 16 79 ? 24.200 -44.629 -93.167 1.00 58.52 ? 79 PRO V CB 1 ? ? +23269 ATOM C CG . PRO Q 16 79 ? 25.543 -45.295 -93.297 1.00 58.76 ? 79 PRO V CG 1 ? ? +23270 ATOM C CD . PRO Q 16 79 ? 25.493 -46.108 -94.550 1.00 59.48 ? 79 PRO V CD 1 ? ? +23271 ATOM C C . PRO Q 16 79 ? 24.114 -42.981 -95.073 1.00 59.52 ? 79 PRO V C 1 ? ? +23272 ATOM O O . PRO Q 16 79 ? 25.236 -42.730 -95.516 1.00 59.88 ? 79 PRO V O 1 ? ? +23273 ATOM N N . THR Q 16 80 ? 23.134 -42.076 -94.968 1.00 59.39 ? 80 THR V N 1 ? ? +23274 ATOM C CA . THR Q 16 80 ? 23.312 -40.689 -95.352 1.00 59.55 ? 80 THR V CA 1 ? ? +23275 ATOM C CB . THR Q 16 80 ? 22.533 -40.363 -96.642 1.00 60.19 ? 80 THR V CB 1 ? ? +23276 ATOM O OG1 . THR Q 16 80 ? 21.138 -40.535 -96.409 1.00 60.02 ? 80 THR V OG1 1 ? ? +23277 ATOM C CG2 . THR Q 16 80 ? 22.956 -41.218 -97.806 1.00 60.89 ? 80 THR V CG2 1 ? ? +23278 ATOM C C . THR Q 16 80 ? 22.881 -39.797 -94.196 1.00 58.86 ? 80 THR V C 1 ? ? +23279 ATOM O O . THR Q 16 80 ? 22.276 -40.267 -93.241 1.00 58.23 ? 80 THR V O 1 ? ? +23280 ATOM N N . THR Q 16 81 ? 23.240 -38.513 -94.290 1.00 58.97 ? 81 THR V N 1 ? ? +23281 ATOM C CA . THR Q 16 81 ? 22.693 -37.490 -93.419 1.00 58.54 ? 81 THR V CA 1 ? ? +23282 ATOM C CB . THR Q 16 81 ? 23.431 -36.178 -93.636 1.00 58.65 ? 81 THR V CB 1 ? ? +23283 ATOM O OG1 . THR Q 16 81 ? 23.394 -35.882 -95.034 1.00 59.40 ? 81 THR V OG1 1 ? ? +23284 ATOM C CG2 . THR Q 16 81 ? 24.866 -36.229 -93.163 1.00 58.49 ? 81 THR V CG2 1 ? ? +23285 ATOM C C . THR Q 16 81 ? 21.196 -37.373 -93.697 1.00 58.76 ? 81 THR V C 1 ? ? +23286 ATOM O O . THR Q 16 81 ? 20.684 -37.951 -94.648 1.00 59.17 ? 81 THR V O 1 ? ? +23287 ATOM N N . TYR Q 16 82 ? 20.500 -36.603 -92.863 1.00 58.57 ? 82 TYR V N 1 ? ? +23288 ATOM C CA . TYR Q 16 82 ? 19.049 -36.546 -92.899 1.00 58.77 ? 82 TYR V CA 1 ? ? +23289 ATOM C CB . TYR Q 16 82 ? 18.561 -35.708 -91.729 1.00 58.19 ? 82 TYR V CB 1 ? ? +23290 ATOM C CG . TYR Q 16 82 ? 17.093 -35.855 -91.419 1.00 58.16 ? 82 TYR V CG 1 ? ? +23291 ATOM C CD1 . TYR Q 16 82 ? 16.571 -37.066 -90.998 1.00 58.05 ? 82 TYR V CD1 1 ? ? +23292 ATOM C CD2 . TYR Q 16 82 ? 16.226 -34.773 -91.513 1.00 58.22 ? 82 TYR V CD2 1 ? ? +23293 ATOM C CE1 . TYR Q 16 82 ? 15.225 -37.203 -90.685 1.00 57.89 ? 82 TYR V CE1 1 ? ? +23294 ATOM C CE2 . TYR Q 16 82 ? 14.883 -34.899 -91.199 1.00 58.09 ? 82 TYR V CE2 1 ? ? +23295 ATOM C CZ . TYR Q 16 82 ? 14.386 -36.118 -90.789 1.00 57.96 ? 82 TYR V CZ 1 ? ? +23296 ATOM O OH . TYR Q 16 82 ? 13.056 -36.251 -90.473 1.00 58.13 ? 82 TYR V OH 1 ? ? +23297 ATOM C C . TYR Q 16 82 ? 18.514 -35.977 -94.210 1.00 59.66 ? 82 TYR V C 1 ? ? +23298 ATOM O O . TYR Q 16 82 ? 17.392 -36.299 -94.604 1.00 59.94 ? 82 TYR V O 1 ? ? +23299 ATOM N N . ASP Q 16 83 ? 19.326 -35.130 -94.863 1.00 60.30 ? 83 ASP V N 1 ? ? +23300 ATOM C CA . ASP Q 16 83 ? 18.975 -34.513 -96.134 1.00 61.22 ? 83 ASP V CA 1 ? ? +23301 ATOM C CB . ASP Q 16 83 ? 19.483 -33.055 -96.173 1.00 61.45 ? 83 ASP V CB 1 ? ? +23302 ATOM C CG . ASP Q 16 83 ? 20.976 -32.845 -95.908 1.00 61.48 ? 83 ASP V CG 1 ? ? +23303 ATOM O OD1 . ASP Q 16 83 ? 21.711 -33.854 -95.802 1.00 61.40 ? 83 ASP V OD1 1 ? ? +23304 ATOM O OD2 . ASP Q 16 83 ? 21.399 -31.670 -95.791 1.00 61.62 ? 83 ASP V OD2 1 ? ? +23305 ATOM C C . ASP Q 16 83 ? 19.499 -35.284 -97.345 1.00 62.07 ? 83 ASP V C 1 ? ? +23306 ATOM O O . ASP Q 16 83 ? 19.321 -34.857 -98.482 1.00 62.75 ? 83 ASP V O 1 ? ? +23307 ATOM N N . GLY Q 16 84 ? 20.148 -36.423 -97.097 1.00 62.22 ? 84 GLY V N 1 ? ? +23308 ATOM C CA . GLY Q 16 84 ? 20.666 -37.267 -98.157 1.00 63.08 ? 84 GLY V CA 1 ? ? +23309 ATOM C C . GLY Q 16 84 ? 21.923 -36.739 -98.843 1.00 63.78 ? 84 GLY V C 1 ? ? +23310 ATOM O O . GLY Q 16 84 ? 22.427 -37.373 -99.763 1.00 64.41 ? 84 GLY V O 1 ? ? +23311 ATOM N N A GLU Q 16 85 ? 22.444 -35.609 -98.355 0.50 63.75 ? 85 GLU V N 1 ? ? +23312 ATOM N N B GLU Q 16 85 ? 22.439 -35.601 -98.363 0.50 63.74 ? 85 GLU V N 1 ? ? +23313 ATOM C CA A GLU Q 16 85 ? 23.459 -34.864 -99.079 0.50 64.48 ? 85 GLU V CA 1 ? ? +23314 ATOM C CA B GLU Q 16 85 ? 23.462 -34.851 -99.074 0.50 64.44 ? 85 GLU V CA 1 ? ? +23315 ATOM C C A GLU Q 16 85 ? 24.853 -35.463 -98.921 0.50 64.63 ? 85 GLU V C 1 ? ? +23316 ATOM C C B GLU Q 16 85 ? 24.852 -35.465 -98.923 0.50 64.61 ? 85 GLU V C 1 ? ? +23317 ATOM O O A GLU Q 16 85 ? 25.709 -35.258 -99.773 0.50 65.23 ? 85 GLU V O 1 ? ? +23318 ATOM O O B GLU Q 16 85 ? 25.707 -35.265 -99.777 0.50 65.21 ? 85 GLU V O 1 ? ? +23319 ATOM C CB A GLU Q 16 85 ? 23.453 -33.400 -98.625 0.50 64.31 ? 85 GLU V CB 1 ? ? +23320 ATOM C CB B GLU Q 16 85 ? 23.487 -33.388 -98.579 0.50 64.22 ? 85 GLU V CB 1 ? ? +23321 ATOM C CG A GLU Q 16 85 ? 24.136 -32.486 -99.620 0.50 65.03 ? 85 GLU V CG 1 ? ? +23322 ATOM C CG B GLU Q 16 85 ? 22.241 -32.566 -98.900 0.50 64.35 ? 85 GLU V CG 1 ? ? +23323 ATOM C CD A GLU Q 16 85 ? 23.650 -32.639 -101.048 0.50 65.93 ? 85 GLU V CD 1 ? ? +23324 ATOM C CD B GLU Q 16 85 ? 22.314 -31.704 -100.143 0.50 65.18 ? 85 GLU V CD 1 ? ? +23325 ATOM O OE1 A GLU Q 16 85 ? 22.416 -32.598 -101.265 0.50 66.00 ? 85 GLU V OE1 1 ? ? +23326 ATOM O OE1 B GLU Q 16 85 ? 23.329 -31.789 -100.871 0.50 65.83 ? 85 GLU V OE1 1 ? ? +23327 ATOM O OE2 A GLU Q 16 85 ? 24.505 -32.789 -101.951 0.50 66.60 ? 85 GLU V OE2 1 ? ? +23328 ATOM O OE2 B GLU Q 16 85 ? 21.369 -30.917 -100.374 0.50 65.31 ? 85 GLU V OE2 1 ? ? +23329 ATOM N N . GLN Q 16 86 ? 25.066 -36.219 -97.839 1.00 64.23 ? 86 GLN V N 1 ? ? +23330 ATOM C CA . GLN Q 16 86 ? 26.372 -36.781 -97.530 1.00 64.66 ? 86 GLN V CA 1 ? ? +23331 ATOM C CB . GLN Q 16 86 ? 27.058 -35.882 -96.481 1.00 65.07 ? 86 GLN V CB 1 ? ? +23332 ATOM C CG . GLN Q 16 86 ? 28.437 -36.358 -95.922 1.00 65.98 ? 86 GLN V CG 1 ? ? +23333 ATOM C CD . GLN Q 16 86 ? 29.585 -36.391 -96.940 1.00 67.75 ? 86 GLN V CD 1 ? ? +23334 ATOM O OE1 . GLN Q 16 86 ? 29.860 -35.398 -97.618 1.00 69.40 ? 86 GLN V OE1 1 ? ? +23335 ATOM N NE2 . GLN Q 16 86 ? 30.304 -37.518 -97.077 1.00 68.13 ? 86 GLN V NE2 1 ? ? +23336 ATOM C C . GLN Q 16 86 ? 26.282 -38.226 -97.040 1.00 64.07 ? 86 GLN V C 1 ? ? +23337 ATOM O O . GLN Q 16 86 ? 25.362 -38.585 -96.311 1.00 63.44 ? 86 GLN V O 1 ? ? +23338 ATOM N N . GLU Q 16 87 ? 27.265 -39.035 -97.456 1.00 64.08 ? 87 GLU V N 1 ? ? +23339 ATOM C CA . GLU Q 16 87 ? 27.385 -40.422 -97.043 1.00 63.77 ? 87 GLU V CA 1 ? ? +23340 ATOM C CB . GLU Q 16 87 ? 27.988 -41.254 -98.171 1.00 64.67 ? 87 GLU V CB 1 ? ? +23341 ATOM C CG . GLU Q 16 87 ? 27.212 -41.131 -99.468 1.00 65.54 ? 87 GLU V CG 1 ? ? +23342 ATOM C CD . GLU Q 16 87 ? 27.781 -41.921 -100.625 1.00 66.65 ? 87 GLU V CD 1 ? ? +23343 ATOM O OE1 . GLU Q 16 87 ? 29.023 -41.920 -100.802 1.00 67.36 ? 87 GLU V OE1 1 ? ? +23344 ATOM O OE2 . GLU Q 16 87 ? 26.976 -42.537 -101.364 1.00 67.13 ? 87 GLU V OE2 1 ? ? +23345 ATOM C C . GLU Q 16 87 ? 28.252 -40.514 -95.791 1.00 62.89 ? 87 GLU V C 1 ? ? +23346 ATOM O O . GLU Q 16 87 ? 29.335 -39.940 -95.741 1.00 63.16 ? 87 GLU V O 1 ? ? +23347 ATOM N N . ILE Q 16 88 ? 27.772 -41.249 -94.783 1.00 61.90 ? 88 ILE V N 1 ? ? +23348 ATOM C CA . ILE Q 16 88 ? 28.391 -41.239 -93.468 1.00 60.99 ? 88 ILE V CA 1 ? ? +23349 ATOM C CB . ILE Q 16 88 ? 27.420 -40.586 -92.437 1.00 60.16 ? 88 ILE V CB 1 ? ? +23350 ATOM C CG1 . ILE Q 16 88 ? 26.112 -41.391 -92.271 1.00 59.96 ? 88 ILE V CG1 1 ? ? +23351 ATOM C CG2 . ILE Q 16 88 ? 27.132 -39.136 -92.814 1.00 60.16 ? 88 ILE V CG2 1 ? ? +23352 ATOM C CD1 . ILE Q 16 88 ? 25.133 -40.826 -91.195 1.00 59.21 ? 88 ILE V CD1 1 ? ? +23353 ATOM C C . ILE Q 16 88 ? 28.854 -42.627 -93.029 1.00 60.74 ? 88 ILE V C 1 ? ? +23354 ATOM O O . ILE Q 16 88 ? 29.068 -42.866 -91.847 1.00 60.19 ? 88 ILE V O 1 ? ? +23355 ATOM N N . ALA Q 16 89 ? 29.048 -43.535 -93.986 1.00 61.22 ? 89 ALA V N 1 ? ? +23356 ATOM C CA . ALA Q 16 89 ? 29.477 -44.886 -93.671 1.00 61.25 ? 89 ALA V CA 1 ? ? +23357 ATOM C CB . ALA Q 16 89 ? 29.734 -45.648 -94.951 1.00 62.02 ? 89 ALA V CB 1 ? ? +23358 ATOM C C . ALA Q 16 89 ? 30.719 -44.945 -92.788 1.00 61.12 ? 89 ALA V C 1 ? ? +23359 ATOM O O . ALA Q 16 89 ? 30.887 -45.895 -92.028 1.00 60.86 ? 89 ALA V O 1 ? ? +23360 ATOM N N . GLU Q 16 90 ? 31.593 -43.935 -92.899 1.00 61.49 ? 90 GLU V N 1 ? ? +23361 ATOM C CA . GLU Q 16 90 ? 32.820 -43.888 -92.118 1.00 61.47 ? 90 GLU V CA 1 ? ? +23362 ATOM C CB . GLU Q 16 90 ? 33.747 -42.766 -92.589 1.00 62.49 ? 90 GLU V CB 1 ? ? +23363 ATOM C CG . GLU Q 16 90 ? 34.524 -43.119 -93.822 1.00 64.03 ? 90 GLU V CG 1 ? ? +23364 ATOM C CD . GLU Q 16 90 ? 35.922 -42.547 -93.845 1.00 65.16 ? 90 GLU V CD 1 ? ? +23365 ATOM O OE1 . GLU Q 16 90 ? 36.747 -42.972 -92.997 1.00 65.60 ? 90 GLU V OE1 1 ? ? +23366 ATOM O OE2 . GLU Q 16 90 ? 36.200 -41.696 -94.723 1.00 66.21 ? 90 GLU V OE2 1 ? ? +23367 ATOM C C . GLU Q 16 90 ? 32.594 -43.699 -90.622 1.00 60.09 ? 90 GLU V C 1 ? ? +23368 ATOM O O . GLU Q 16 90 ? 33.484 -44.020 -89.831 1.00 59.85 ? 90 GLU V O 1 ? ? +23369 ATOM N N . VAL Q 16 91 ? 31.427 -43.151 -90.250 1.00 59.05 ? 91 VAL V N 1 ? ? +23370 ATOM C CA . VAL Q 16 91 ? 31.101 -42.933 -88.850 1.00 57.92 ? 91 VAL V CA 1 ? ? +23371 ATOM C CB . VAL Q 16 91 ? 31.135 -41.422 -88.518 1.00 57.67 ? 91 VAL V CB 1 ? ? +23372 ATOM C CG1 . VAL Q 16 91 ? 32.549 -40.865 -88.695 1.00 58.03 ? 91 VAL V CG1 1 ? ? +23373 ATOM C CG2 . VAL Q 16 91 ? 30.114 -40.635 -89.330 1.00 57.77 ? 91 VAL V CG2 1 ? ? +23374 ATOM C C . VAL Q 16 91 ? 29.783 -43.542 -88.377 1.00 57.15 ? 91 VAL V C 1 ? ? +23375 ATOM O O . VAL Q 16 91 ? 29.432 -43.364 -87.219 1.00 56.44 ? 91 VAL V O 1 ? ? +23376 ATOM N N . HIS Q 16 92 ? 29.069 -44.259 -89.255 1.00 57.20 ? 92 HIS V N 1 ? ? +23377 ATOM C CA . HIS Q 16 92 ? 27.878 -45.003 -88.873 1.00 56.66 ? 92 HIS V CA 1 ? ? +23378 ATOM C CB . HIS Q 16 92 ? 26.595 -44.360 -89.414 1.00 56.51 ? 92 HIS V CB 1 ? ? +23379 ATOM C CG . HIS Q 16 92 ? 25.329 -44.962 -88.875 1.00 55.96 ? 92 HIS V CG 1 ? ? +23380 ATOM N ND1 . HIS Q 16 92 ? 24.854 -46.178 -89.312 1.00 56.13 ? 92 HIS V ND1 1 ? ? +23381 ATOM C CE1 . HIS Q 16 92 ? 23.738 -46.402 -88.630 1.00 55.70 ? 92 HIS V CE1 1 ? ? +23382 ATOM N NE2 . HIS Q 16 92 ? 23.470 -45.403 -87.795 1.00 55.07 ? 92 HIS V NE2 1 ? ? +23383 ATOM C CD2 . HIS Q 16 92 ? 24.479 -44.480 -87.944 1.00 55.28 ? 92 HIS V CD2 1 ? ? +23384 ATOM C C . HIS Q 16 92 ? 27.966 -46.436 -89.382 1.00 57.09 ? 92 HIS V C 1 ? ? +23385 ATOM O O . HIS Q 16 92 ? 28.269 -46.662 -90.545 1.00 57.62 ? 92 HIS V O 1 ? ? +23386 ATOM N N . PRO Q 16 93 ? 27.677 -47.450 -88.544 1.00 56.94 ? 93 PRO V N 1 ? ? +23387 ATOM C CA . PRO Q 16 93 ? 27.764 -48.844 -88.972 1.00 57.50 ? 93 PRO V CA 1 ? ? +23388 ATOM C CB . PRO Q 16 93 ? 27.286 -49.620 -87.742 1.00 56.93 ? 93 PRO V CB 1 ? ? +23389 ATOM C CG . PRO Q 16 93 ? 27.384 -48.698 -86.615 1.00 56.27 ? 93 PRO V CG 1 ? ? +23390 ATOM C CD . PRO Q 16 93 ? 27.245 -47.314 -87.148 1.00 56.28 ? 93 PRO V CD 1 ? ? +23391 ATOM C C . PRO Q 16 93 ? 26.920 -49.147 -90.210 1.00 58.28 ? 93 PRO V C 1 ? ? +23392 ATOM O O . PRO Q 16 93 ? 25.764 -48.736 -90.314 1.00 58.26 ? 93 PRO V O 1 ? ? +23393 ATOM N N . SER Q 16 94 ? 27.527 -49.874 -91.150 1.00 59.12 ? 94 SER V N 1 ? ? +23394 ATOM C CA . SER Q 16 94 ? 26.893 -50.229 -92.405 1.00 59.84 ? 94 SER V CA 1 ? ? +23395 ATOM C CB . SER Q 16 94 ? 26.919 -49.058 -93.382 1.00 60.15 ? 94 SER V CB 1 ? ? +23396 ATOM O OG . SER Q 16 94 ? 28.233 -48.765 -93.838 1.00 60.45 ? 94 SER V OG 1 ? ? +23397 ATOM C C . SER Q 16 94 ? 27.640 -51.426 -92.983 1.00 60.60 ? 94 SER V C 1 ? ? +23398 ATOM O O . SER Q 16 94 ? 28.723 -51.755 -92.511 1.00 60.55 ? 94 SER V O 1 ? ? +23399 ATOM N N . LEU Q 16 95 ? 27.048 -52.068 -93.996 1.00 61.38 ? 95 LEU V N 1 ? ? +23400 ATOM C CA . LEU Q 16 95 ? 27.709 -53.158 -94.695 1.00 62.16 ? 95 LEU V CA 1 ? ? +23401 ATOM C CB . LEU Q 16 95 ? 26.742 -53.900 -95.614 1.00 62.69 ? 95 LEU V CB 1 ? ? +23402 ATOM C CG . LEU Q 16 95 ? 25.595 -54.630 -94.927 1.00 62.43 ? 95 LEU V CG 1 ? ? +23403 ATOM C CD1 . LEU Q 16 95 ? 24.854 -55.498 -95.919 1.00 63.05 ? 95 LEU V CD1 1 ? ? +23404 ATOM C CD2 . LEU Q 16 95 ? 26.078 -55.474 -93.764 1.00 62.11 ? 95 LEU V CD2 1 ? ? +23405 ATOM C C . LEU Q 16 95 ? 28.877 -52.608 -95.503 1.00 62.76 ? 95 LEU V C 1 ? ? +23406 ATOM O O . LEU Q 16 95 ? 29.886 -53.283 -95.671 1.00 63.13 ? 95 LEU V O 1 ? ? +23407 ATOM N N . ARG Q 16 96 ? 28.725 -51.371 -95.985 1.00 62.99 ? 96 ARG V N 1 ? ? +23408 ATOM C CA . ARG Q 16 96 ? 29.780 -50.687 -96.713 1.00 63.58 ? 96 ARG V CA 1 ? ? +23409 ATOM C CB . ARG Q 16 96 ? 29.224 -49.381 -97.276 1.00 63.92 ? 96 ARG V CB 1 ? ? +23410 ATOM C CG . ARG Q 16 96 ? 30.147 -48.671 -98.196 1.00 64.86 ? 96 ARG V CG 1 ? ? +23411 ATOM C CD . ARG Q 16 96 ? 29.488 -47.430 -98.799 1.00 65.38 ? 96 ARG V CD 1 ? ? +23412 ATOM N NE . ARG Q 16 96 ? 30.448 -46.720 -99.634 1.00 66.43 ? 96 ARG V NE 1 ? ? +23413 ATOM C CZ . ARG Q 16 96 ? 30.257 -45.527 -100.179 1.00 66.94 ? 96 ARG V CZ 1 ? ? +23414 ATOM N NH1 . ARG Q 16 96 ? 29.145 -44.843 -99.981 1.00 66.49 ? 96 ARG V NH1 1 ? ? +23415 ATOM N NH2 . ARG Q 16 96 ? 31.213 -45.008 -100.949 1.00 67.82 ? 96 ARG V NH2 1 ? ? +23416 ATOM C C . ARG Q 16 96 ? 30.993 -50.427 -95.820 1.00 63.09 ? 96 ARG V C 1 ? ? +23417 ATOM O O . ARG Q 16 96 ? 32.120 -50.367 -96.302 1.00 63.55 ? 96 ARG V O 1 ? ? +23418 ATOM N N . SER Q 16 97 ? 30.740 -50.275 -94.516 1.00 62.16 ? 97 SER V N 1 ? ? +23419 ATOM C CA . SER Q 16 97 ? 31.777 -50.010 -93.536 1.00 61.61 ? 97 SER V CA 1 ? ? +23420 ATOM C CB . SER Q 16 97 ? 31.489 -48.683 -92.842 1.00 61.01 ? 97 SER V CB 1 ? ? +23421 ATOM O OG . SER Q 16 97 ? 30.249 -48.709 -92.158 1.00 60.46 ? 97 SER V OG 1 ? ? +23422 ATOM C C . SER Q 16 97 ? 31.919 -51.140 -92.517 1.00 61.19 ? 97 SER V C 1 ? ? +23423 ATOM O O . SER Q 16 97 ? 32.256 -50.904 -91.365 1.00 60.57 ? 97 SER V O 1 ? ? +23424 ATOM N N . ALA Q 16 98 ? 31.696 -52.381 -92.957 1.00 61.57 ? 98 ALA V N 1 ? ? +23425 ATOM C CA . ALA Q 16 98 ? 31.813 -53.540 -92.089 1.00 61.45 ? 98 ALA V CA 1 ? ? +23426 ATOM C CB . ALA Q 16 98 ? 31.176 -54.739 -92.761 1.00 61.83 ? 98 ALA V CB 1 ? ? +23427 ATOM C C . ALA Q 16 98 ? 33.265 -53.851 -91.719 1.00 61.81 ? 98 ALA V C 1 ? ? +23428 ATOM O O . ALA Q 16 98 ? 33.533 -54.582 -90.770 1.00 61.65 ? 98 ALA V O 1 ? ? +23429 ATOM N N . ASP Q 16 99 ? 34.216 -53.308 -92.481 1.00 62.49 ? 99 ASP V N 1 ? ? +23430 ATOM C CA . ASP Q 16 99 ? 35.620 -53.435 -92.127 1.00 62.80 ? 99 ASP V CA 1 ? ? +23431 ATOM C CB . ASP Q 16 99 ? 36.524 -52.919 -93.244 1.00 63.71 ? 99 ASP V CB 1 ? ? +23432 ATOM C CG . ASP Q 16 99 ? 36.266 -51.494 -93.696 1.00 63.97 ? 99 ASP V CG 1 ? ? +23433 ATOM O OD1 . ASP Q 16 99 ? 35.098 -51.024 -93.589 1.00 63.62 ? 99 ASP V OD1 1 ? ? +23434 ATOM O OD2 . ASP Q 16 99 ? 37.231 -50.838 -94.154 1.00 64.67 ? 99 ASP V OD2 1 ? ? +23435 ATOM C C . ASP Q 16 99 ? 35.937 -52.732 -90.809 1.00 62.06 ? 99 ASP V C 1 ? ? +23436 ATOM O O . ASP Q 16 99 ? 36.672 -53.276 -89.995 1.00 62.18 ? 99 ASP V O 1 ? ? +23437 ATOM N N . ILE Q 16 100 ? 35.361 -51.545 -90.578 1.00 61.36 ? 100 ILE V N 1 ? ? +23438 ATOM C CA . ILE Q 16 100 ? 35.663 -50.756 -89.390 1.00 60.51 ? 100 ILE V CA 1 ? ? +23439 ATOM C CB . ILE Q 16 100 ? 35.944 -49.278 -89.782 1.00 60.53 ? 100 ILE V CB 1 ? ? +23440 ATOM C CG1 . ILE Q 16 100 ? 34.719 -48.619 -90.422 1.00 60.39 ? 100 ILE V CG1 1 ? ? +23441 ATOM C CG2 . ILE Q 16 100 ? 37.194 -49.190 -90.688 1.00 61.28 ? 100 ILE V CG2 1 ? ? +23442 ATOM C CD1 . ILE Q 16 100 ? 34.857 -47.294 -90.751 1.00 60.41 ? 100 ILE V CD1 1 ? ? +23443 ATOM C C . ILE Q 16 100 ? 34.589 -50.829 -88.307 1.00 59.62 ? 100 ILE V C 1 ? ? +23444 ATOM O O . ILE Q 16 100 ? 34.807 -50.342 -87.203 1.00 59.09 ? 100 ILE V O 1 ? ? +23445 ATOM N N . PHE Q 16 101 ? 33.425 -51.406 -88.645 1.00 59.45 ? 101 PHE V N 1 ? ? +23446 ATOM C CA . PHE Q 16 101 ? 32.374 -51.728 -87.690 1.00 58.67 ? 101 PHE V CA 1 ? ? +23447 ATOM C CB . PHE Q 16 101 ? 31.077 -50.982 -88.019 1.00 58.18 ? 101 PHE V CB 1 ? ? +23448 ATOM C CG . PHE Q 16 101 ? 31.140 -49.500 -87.781 1.00 57.59 ? 101 PHE V CG 1 ? ? +23449 ATOM C CD1 . PHE Q 16 101 ? 31.021 -48.982 -86.507 1.00 56.84 ? 101 PHE V CD1 1 ? ? +23450 ATOM C CD2 . PHE Q 16 101 ? 31.332 -48.623 -88.830 1.00 57.85 ? 101 PHE V CD2 1 ? ? +23451 ATOM C CE1 . PHE Q 16 101 ? 31.086 -47.613 -86.293 1.00 56.50 ? 101 PHE V CE1 1 ? ? +23452 ATOM C CE2 . PHE Q 16 101 ? 31.398 -47.254 -88.610 1.00 57.50 ? 101 PHE V CE2 1 ? ? +23453 ATOM C CZ . PHE Q 16 101 ? 31.278 -46.759 -87.348 1.00 56.84 ? 101 PHE V CZ 1 ? ? +23454 ATOM C C . PHE Q 16 101 ? 32.156 -53.235 -87.754 1.00 59.08 ? 101 PHE V C 1 ? ? +23455 ATOM O O . PHE Q 16 101 ? 31.263 -53.704 -88.452 1.00 59.35 ? 101 PHE V O 1 ? ? +23456 ATOM N N . PRO Q 16 102 ? 32.986 -54.049 -87.066 1.00 59.31 ? 102 PRO V N 1 ? ? +23457 ATOM C CA . PRO Q 16 102 ? 33.014 -55.492 -87.304 1.00 59.89 ? 102 PRO V CA 1 ? ? +23458 ATOM C CB . PRO Q 16 102 ? 34.101 -55.973 -86.332 1.00 59.75 ? 102 PRO V CB 1 ? ? +23459 ATOM C CG . PRO Q 16 102 ? 34.917 -54.765 -86.045 1.00 59.53 ? 102 PRO V CG 1 ? ? +23460 ATOM C CD . PRO Q 16 102 ? 33.965 -53.627 -86.052 1.00 59.05 ? 102 PRO V CD 1 ? ? +23461 ATOM C C . PRO Q 16 102 ? 31.695 -56.230 -87.073 1.00 59.89 ? 102 PRO V C 1 ? ? +23462 ATOM O O . PRO Q 16 102 ? 31.465 -57.275 -87.669 1.00 60.35 ? 102 PRO V O 1 ? ? +23463 ATOM N N . LYS Q 16 103 ? 30.831 -55.692 -86.208 1.00 59.53 ? 103 LYS V N 1 ? ? +23464 ATOM C CA . LYS Q 16 103 ? 29.583 -56.365 -85.882 1.00 59.52 ? 103 LYS V CA 1 ? ? +23465 ATOM C CB . LYS Q 16 103 ? 28.871 -55.655 -84.739 1.00 58.72 ? 103 LYS V CB 1 ? ? +23466 ATOM C CG . LYS Q 16 103 ? 29.518 -55.947 -83.400 1.00 58.25 ? 103 LYS V CG 1 ? ? +23467 ATOM C CD . LYS Q 16 103 ? 28.642 -55.680 -82.225 1.00 57.53 ? 103 LYS V CD 1 ? ? +23468 ATOM C CE . LYS Q 16 103 ? 28.406 -54.231 -81.976 1.00 57.04 ? 103 LYS V CE 1 ? ? +23469 ATOM N NZ . LYS Q 16 103 ? 27.647 -54.039 -80.725 1.00 56.40 ? 103 LYS V NZ 1 ? ? +23470 ATOM C C . LYS Q 16 103 ? 28.636 -56.480 -87.071 1.00 60.26 ? 103 LYS V C 1 ? ? +23471 ATOM O O . LYS Q 16 103 ? 27.727 -57.305 -87.051 1.00 60.52 ? 103 LYS V O 1 ? ? +23472 ATOM N N . MET Q 16 104 ? 28.868 -55.664 -88.104 1.00 60.85 ? 104 MET V N 1 ? ? +23473 ATOM C CA . MET Q 16 104 ? 28.061 -55.686 -89.313 1.00 61.52 ? 104 MET V CA 1 ? ? +23474 ATOM C CB . MET Q 16 104 ? 28.170 -54.331 -90.034 1.00 61.44 ? 104 MET V CB 1 ? ? +23475 ATOM C CG . MET Q 16 104 ? 27.731 -53.163 -89.179 1.00 60.72 ? 104 MET V CG 1 ? ? +23476 ATOM S SD . MET Q 16 104 ? 26.015 -53.233 -88.605 1.00 60.12 ? 104 MET V SD 1 ? ? +23477 ATOM C CE . MET Q 16 104 ? 25.150 -53.100 -90.127 1.00 60.69 ? 104 MET V CE 1 ? ? +23478 ATOM C C . MET Q 16 104 ? 28.469 -56.788 -90.288 1.00 62.73 ? 104 MET V C 1 ? ? +23479 ATOM O O . MET Q 16 104 ? 27.741 -57.049 -91.242 1.00 63.21 ? 104 MET V O 1 ? ? +23480 ATOM N N . ARG Q 16 105 ? 29.619 -57.435 -90.035 1.00 63.48 ? 105 ARG V N 1 ? ? +23481 ATOM C CA . ARG Q 16 105 ? 30.174 -58.440 -90.932 1.00 64.66 ? 105 ARG V CA 1 ? ? +23482 ATOM C CB . ARG Q 16 105 ? 31.566 -58.891 -90.447 1.00 65.38 ? 105 ARG V CB 1 ? ? +23483 ATOM C CG . ARG Q 16 105 ? 32.646 -57.870 -90.709 1.00 66.11 ? 105 ARG V CG 1 ? ? +23484 ATOM C CD . ARG Q 16 105 ? 33.960 -58.271 -90.109 1.00 66.87 ? 105 ARG V CD 1 ? ? +23485 ATOM N NE . ARG Q 16 105 ? 34.899 -57.158 -90.144 1.00 67.67 ? 105 ARG V NE 1 ? ? +23486 ATOM C CZ . ARG Q 16 105 ? 36.013 -57.093 -89.432 1.00 68.74 ? 105 ARG V CZ 1 ? ? +23487 ATOM N NH1 . ARG Q 16 105 ? 36.457 -58.130 -88.739 1.00 69.25 ? 105 ARG V NH1 1 ? ? +23488 ATOM N NH2 . ARG Q 16 105 ? 36.704 -55.958 -89.412 1.00 69.28 ? 105 ARG V NH2 1 ? ? +23489 ATOM C C . ARG Q 16 105 ? 29.303 -59.678 -91.099 1.00 64.72 ? 105 ARG V C 1 ? ? +23490 ATOM O O . ARG Q 16 105 ? 29.108 -60.145 -92.215 1.00 65.36 ? 105 ARG V O 1 ? ? +23491 ATOM N N . ASN Q 16 106 ? 28.795 -60.208 -89.985 1.00 64.31 ? 106 ASN V N 1 ? ? +23492 ATOM C CA . ASN Q 16 106 ? 27.959 -61.399 -90.024 1.00 64.58 ? 106 ASN V CA 1 ? ? +23493 ATOM C CB . ASN Q 16 106 ? 28.314 -62.345 -88.860 1.00 64.71 ? 106 ASN V CB 1 ? ? +23494 ATOM C CG . ASN Q 16 106 ? 28.377 -61.651 -87.543 1.00 64.37 ? 106 ASN V CG 1 ? ? +23495 ATOM O OD1 . ASN Q 16 106 ? 27.457 -60.861 -87.221 1.00 64.18 ? 106 ASN V OD1 1 ? ? +23496 ATOM N ND2 . ASN Q 16 106 ? 29.496 -61.882 -86.778 1.00 64.29 ? 106 ASN V ND2 1 ? ? +23497 ATOM C C . ASN Q 16 106 ? 26.466 -61.068 -90.035 1.00 63.78 ? 106 ASN V C 1 ? ? +23498 ATOM O O . ASN Q 16 106 ? 25.659 -61.810 -89.484 1.00 63.60 ? 106 ASN V O 1 ? ? +23499 ATOM N N . LEU Q 16 107 ? 26.104 -59.949 -90.669 1.00 63.27 ? 107 LEU V N 1 ? ? +23500 ATOM C CA . LEU Q 16 107 ? 24.711 -59.627 -90.945 1.00 62.83 ? 107 LEU V CA 1 ? ? +23501 ATOM C CB . LEU Q 16 107 ? 24.391 -58.140 -90.658 1.00 62.28 ? 107 LEU V CB 1 ? ? +23502 ATOM C CG . LEU Q 16 107 ? 24.495 -57.683 -89.206 1.00 61.50 ? 107 LEU V CG 1 ? ? +23503 ATOM C CD1 . LEU Q 16 107 ? 23.877 -56.318 -89.010 1.00 61.15 ? 107 LEU V CD1 1 ? ? +23504 ATOM C CD2 . LEU Q 16 107 ? 23.833 -58.655 -88.295 1.00 61.28 ? 107 LEU V CD2 1 ? ? +23505 ATOM C C . LEU Q 16 107 ? 24.441 -59.947 -92.412 1.00 63.18 ? 107 LEU V C 1 ? ? +23506 ATOM O O . LEU Q 16 107 ? 25.210 -59.557 -93.288 1.00 63.66 ? 107 LEU V O 1 ? ? +23507 ATOM N N . THR Q 16 108 ? 23.359 -60.693 -92.661 1.00 62.95 ? 108 THR V N 1 ? ? +23508 ATOM C CA . THR Q 16 108 ? 22.934 -61.027 -94.011 1.00 63.27 ? 108 THR V CA 1 ? ? +23509 ATOM C CB . THR Q 16 108 ? 22.514 -62.505 -94.107 1.00 63.67 ? 108 THR V CB 1 ? ? +23510 ATOM O OG1 . THR Q 16 108 ? 21.334 -62.703 -93.314 1.00 63.36 ? 108 THR V OG1 1 ? ? +23511 ATOM C CG2 . THR Q 16 108 ? 23.632 -63.457 -93.660 1.00 63.70 ? 108 THR V CG2 1 ? ? +23512 ATOM C C . THR Q 16 108 ? 21.800 -60.099 -94.432 1.00 62.79 ? 108 THR V C 1 ? ? +23513 ATOM O O . THR Q 16 108 ? 21.276 -59.338 -93.629 1.00 62.11 ? 108 THR V O 1 ? ? +23514 ATOM N N . GLU Q 16 109 ? 21.446 -60.159 -95.712 1.00 63.16 ? 109 GLU V N 1 ? ? +23515 ATOM C CA . GLU Q 16 109 ? 20.330 -59.391 -96.236 1.00 63.04 ? 109 GLU V CA 1 ? ? +23516 ATOM C CB . GLU Q 16 109 ? 20.096 -59.736 -97.705 1.00 63.80 ? 109 GLU V CB 1 ? ? +23517 ATOM C CG . GLU Q 16 109 ? 19.084 -58.829 -98.373 1.00 63.92 ? 109 GLU V CG 1 ? ? +23518 ATOM C CD . GLU Q 16 109 ? 19.594 -57.453 -98.734 1.00 63.76 ? 109 GLU V CD 1 ? ? +23519 ATOM O OE1 . GLU Q 16 109 ? 20.824 -57.297 -98.876 1.00 63.89 ? 109 GLU V OE1 1 ? ? +23520 ATOM O OE2 . GLU Q 16 109 ? 18.772 -56.519 -98.835 1.00 63.61 ? 109 GLU V OE2 1 ? ? +23521 ATOM C C . GLU Q 16 109 ? 19.042 -59.621 -95.443 1.00 62.55 ? 109 GLU V C 1 ? ? +23522 ATOM O O . GLU Q 16 109 ? 18.300 -58.680 -95.166 1.00 62.27 ? 109 GLU V O 1 ? ? +23523 ATOM N N . LYS Q 16 110 ? 18.784 -60.872 -95.055 1.00 62.49 ? 110 LYS V N 1 ? ? +23524 ATOM C CA . LYS Q 16 110 ? 17.550 -61.202 -94.363 1.00 62.14 ? 110 LYS V CA 1 ? ? +23525 ATOM C CB . LYS Q 16 110 ? 17.333 -62.741 -94.335 1.00 62.55 ? 110 LYS V CB 1 ? ? +23526 ATOM C CG . LYS Q 16 110 ? 17.562 -63.440 -93.003 1.00 62.11 ? 110 LYS V CG 1 ? ? +23527 ATOM C CD . LYS Q 16 110 ? 17.597 -64.959 -93.100 1.00 62.62 ? 110 LYS V CD 1 ? ? +23528 ATOM C CE . LYS Q 16 110 ? 17.208 -65.621 -91.805 1.00 62.28 ? 110 LYS V CE 1 ? ? +23529 ATOM N NZ . LYS Q 16 110 ? 17.777 -66.985 -91.713 1.00 62.67 ? 110 LYS V NZ 1 ? ? +23530 ATOM C C . LYS Q 16 110 ? 17.541 -60.584 -92.966 1.00 61.20 ? 110 LYS V C 1 ? ? +23531 ATOM O O . LYS Q 16 110 ? 16.485 -60.190 -92.468 1.00 60.93 ? 110 LYS V O 1 ? ? +23532 ATOM N N . ASP Q 16 111 ? 18.728 -60.499 -92.351 1.00 60.79 ? 111 ASP V N 1 ? ? +23533 ATOM C CA . ASP Q 16 111 ? 18.894 -59.877 -91.047 1.00 59.95 ? 111 ASP V CA 1 ? ? +23534 ATOM C CB . ASP Q 16 111 ? 20.335 -60.076 -90.546 1.00 59.91 ? 111 ASP V CB 1 ? ? +23535 ATOM C CG . ASP Q 16 111 ? 20.739 -61.515 -90.257 1.00 60.30 ? 111 ASP V CG 1 ? ? +23536 ATOM O OD1 . ASP Q 16 111 ? 19.847 -62.356 -90.075 1.00 60.55 ? 111 ASP V OD1 1 ? ? +23537 ATOM O OD2 . ASP Q 16 111 ? 21.955 -61.800 -90.248 1.00 60.48 ? 111 ASP V OD2 1 ? ? +23538 ATOM C C . ASP Q 16 111 ? 18.550 -58.388 -91.070 1.00 59.42 ? 111 ASP V C 1 ? ? +23539 ATOM O O . ASP Q 16 111 ? 17.943 -57.883 -90.131 1.00 58.79 ? 111 ASP V O 1 ? ? +23540 ATOM N N . LEU Q 16 112 ? 18.943 -57.696 -92.146 1.00 59.63 ? 112 LEU V N 1 ? ? +23541 ATOM C CA . LEU Q 16 112 ? 18.643 -56.286 -92.314 1.00 59.32 ? 112 LEU V CA 1 ? ? +23542 ATOM C CB . LEU Q 16 112 ? 19.319 -55.737 -93.569 1.00 59.85 ? 112 LEU V CB 1 ? ? +23543 ATOM C CG . LEU Q 16 112 ? 20.853 -55.815 -93.617 1.00 59.95 ? 112 LEU V CG 1 ? ? +23544 ATOM C CD1 . LEU Q 16 112 ? 21.401 -54.985 -94.756 1.00 60.40 ? 112 LEU V CD1 1 ? ? +23545 ATOM C CD2 . LEU Q 16 112 ? 21.503 -55.355 -92.333 1.00 59.25 ? 112 LEU V CD2 1 ? ? +23546 ATOM C C . LEU Q 16 112 ? 17.138 -56.044 -92.400 1.00 59.28 ? 112 LEU V C 1 ? ? +23547 ATOM O O . LEU Q 16 112 ? 16.632 -55.074 -91.833 1.00 58.78 ? 112 LEU V O 1 ? ? +23548 ATOM N N . VAL Q 16 113 ? 16.428 -56.941 -93.095 1.00 59.78 ? 113 VAL V N 1 ? ? +23549 ATOM C CA . VAL Q 16 113 ? 14.982 -56.844 -93.198 1.00 59.87 ? 113 VAL V CA 1 ? ? +23550 ATOM C CB . VAL Q 16 113 ? 14.379 -57.882 -94.169 1.00 60.65 ? 113 VAL V CB 1 ? ? +23551 ATOM C CG1 . VAL Q 16 113 ? 12.847 -57.765 -94.241 1.00 60.80 ? 113 VAL V CG1 1 ? ? +23552 ATOM C CG2 . VAL Q 16 113 ? 14.983 -57.749 -95.554 1.00 61.27 ? 113 VAL V CG2 1 ? ? +23553 ATOM C C . VAL Q 16 113 ? 14.371 -56.980 -91.806 1.00 59.24 ? 113 VAL V C 1 ? ? +23554 ATOM O O . VAL Q 16 113 ? 13.465 -56.229 -91.451 1.00 58.98 ? 113 VAL V O 1 ? ? +23555 ATOM N N . ALA Q 16 114 ? 14.884 -57.933 -91.022 1.00 59.00 ? 114 ALA V N 1 ? ? +23556 ATOM C CA . ALA Q 16 114 ? 14.361 -58.170 -89.690 1.00 58.49 ? 114 ALA V CA 1 ? ? +23557 ATOM C CB . ALA Q 16 114 ? 15.031 -59.384 -89.068 1.00 58.45 ? 114 ALA V CB 1 ? ? +23558 ATOM C C . ALA Q 16 114 ? 14.536 -56.937 -88.806 1.00 57.82 ? 114 ALA V C 1 ? ? +23559 ATOM O O . ALA Q 16 114 ? 13.596 -56.505 -88.148 1.00 57.53 ? 114 ALA V O 1 ? ? +23560 ATOM N N . ILE Q 16 115 ? 15.748 -56.366 -88.809 1.00 57.67 ? 115 ILE V N 1 ? ? +23561 ATOM C CA . ILE Q 16 115 ? 16.048 -55.169 -88.038 1.00 57.01 ? 115 ILE V CA 1 ? ? +23562 ATOM C CB . ILE Q 16 115 ? 17.544 -54.777 -88.167 1.00 56.89 ? 115 ILE V CB 1 ? ? +23563 ATOM C CG1 . ILE Q 16 115 ? 18.449 -55.834 -87.550 1.00 56.85 ? 115 ILE V CG1 1 ? ? +23564 ATOM C CG2 . ILE Q 16 115 ? 17.802 -53.415 -87.544 1.00 56.31 ? 115 ILE V CG2 1 ? ? +23565 ATOM C CD1 . ILE Q 16 115 ? 19.978 -55.602 -87.869 1.00 57.00 ? 115 ILE V CD1 1 ? ? +23566 ATOM C C . ILE Q 16 115 ? 15.138 -54.019 -88.458 1.00 56.96 ? 115 ILE V C 1 ? ? +23567 ATOM O O . ILE Q 16 115 ? 14.605 -53.314 -87.610 1.00 56.41 ? 115 ILE V O 1 ? ? +23568 ATOM N N . ALA Q 16 116 ? 15.003 -53.829 -89.772 1.00 57.57 ? 116 ALA V N 1 ? ? +23569 ATOM C CA . ALA Q 16 116 ? 14.128 -52.811 -90.326 1.00 57.76 ? 116 ALA V CA 1 ? ? +23570 ATOM C CB . ALA Q 16 116 ? 14.182 -52.836 -91.842 1.00 58.48 ? 116 ALA V CB 1 ? ? +23571 ATOM C C . ALA Q 16 116 ? 12.691 -53.011 -89.852 1.00 57.75 ? 116 ALA V C 1 ? ? +23572 ATOM O O . ALA Q 16 116 ? 12.022 -52.056 -89.475 1.00 57.45 ? 116 ALA V O 1 ? ? +23573 ATOM N N . GLY Q 16 117 ? 12.235 -54.264 -89.888 1.00 58.21 ? 117 GLY V N 1 ? ? +23574 ATOM C CA . GLY Q 16 117 ? 10.918 -54.627 -89.400 1.00 58.31 ? 117 GLY V CA 1 ? ? +23575 ATOM C C . GLY Q 16 117 ? 10.692 -54.211 -87.951 1.00 57.68 ? 117 GLY V C 1 ? ? +23576 ATOM O O . GLY Q 16 117 ? 9.650 -53.648 -87.624 1.00 57.60 ? 117 GLY V O 1 ? ? +23577 ATOM N N . HIS Q 16 118 ? 11.685 -54.481 -87.094 1.00 57.32 ? 118 HIS V N 1 ? ? +23578 ATOM C CA . HIS Q 16 118 ? 11.595 -54.138 -85.684 1.00 56.71 ? 118 HIS V CA 1 ? ? +23579 ATOM C CB . HIS Q 16 118 ? 12.808 -54.646 -84.906 1.00 56.43 ? 118 HIS V CB 1 ? ? +23580 ATOM C CG . HIS Q 16 118 ? 12.832 -54.240 -83.460 1.00 55.85 ? 118 HIS V CG 1 ? ? +23581 ATOM N ND1 . HIS Q 16 118 ? 11.827 -54.626 -82.576 1.00 55.74 ? 118 HIS V ND1 1 ? ? +23582 ATOM C CE1 . HIS Q 16 118 ? 12.148 -54.097 -81.402 1.00 55.16 ? 118 HIS V CE1 1 ? ? +23583 ATOM N NE2 . HIS Q 16 118 ? 13.304 -53.409 -81.480 1.00 54.99 ? 118 HIS V NE2 1 ? ? +23584 ATOM C CD2 . HIS Q 16 118 ? 13.747 -53.500 -82.783 1.00 55.43 ? 118 HIS V CD2 1 ? ? +23585 ATOM C C . HIS Q 16 118 ? 11.422 -52.633 -85.496 1.00 56.33 ? 118 HIS V C 1 ? ? +23586 ATOM O O . HIS Q 16 118 ? 10.592 -52.196 -84.701 1.00 56.07 ? 118 HIS V O 1 ? ? +23587 ATOM N N . ILE Q 16 119 ? 12.188 -51.843 -86.251 1.00 56.36 ? 119 ILE V N 1 ? ? +23588 ATOM C CA . ILE Q 16 119 ? 12.157 -50.394 -86.114 1.00 55.95 ? 119 ILE V CA 1 ? ? +23589 ATOM C CB . ILE Q 16 119 ? 13.327 -49.755 -86.917 1.00 56.01 ? 119 ILE V CB 1 ? ? +23590 ATOM C CG1 . ILE Q 16 119 ? 14.695 -50.203 -86.321 1.00 55.69 ? 119 ILE V CG1 1 ? ? +23591 ATOM C CG2 . ILE Q 16 119 ? 13.209 -48.231 -86.964 1.00 55.76 ? 119 ILE V CG2 1 ? ? +23592 ATOM C CD1 . ILE Q 16 119 ? 15.931 -49.706 -87.065 1.00 55.86 ? 119 ILE V CD1 1 ? ? +23593 ATOM C C . ILE Q 16 119 ? 10.795 -49.825 -86.500 1.00 56.14 ? 119 ILE V C 1 ? ? +23594 ATOM O O . ILE Q 16 119 ? 10.343 -48.842 -85.919 1.00 55.75 ? 119 ILE V O 1 ? ? +23595 ATOM N N . LEU Q 16 120 ? 10.146 -50.453 -87.481 1.00 56.83 ? 120 LEU V N 1 ? ? +23596 ATOM C CA . LEU Q 16 120 ? 8.866 -49.969 -87.973 1.00 57.22 ? 120 LEU V CA 1 ? ? +23597 ATOM C CB . LEU Q 16 120 ? 8.698 -50.350 -89.434 1.00 57.91 ? 120 LEU V CB 1 ? ? +23598 ATOM C CG . LEU Q 16 120 ? 9.705 -49.723 -90.389 1.00 58.08 ? 120 LEU V CG 1 ? ? +23599 ATOM C CD1 . LEU Q 16 120 ? 9.525 -50.258 -91.771 1.00 58.87 ? 120 LEU V CD1 1 ? ? +23600 ATOM C CD2 . LEU Q 16 120 ? 9.597 -48.216 -90.406 1.00 57.84 ? 120 LEU V CD2 1 ? ? +23601 ATOM C C . LEU Q 16 120 ? 7.681 -50.478 -87.156 1.00 57.30 ? 120 LEU V C 1 ? ? +23602 ATOM O O . LEU Q 16 120 ? 6.654 -49.805 -87.093 1.00 57.38 ? 120 LEU V O 1 ? ? +23603 ATOM N N . VAL Q 16 121 ? 7.837 -51.645 -86.517 1.00 57.41 ? 121 VAL V N 1 ? ? +23604 ATOM C CA . VAL Q 16 121 ? 6.776 -52.227 -85.708 1.00 57.46 ? 121 VAL V CA 1 ? ? +23605 ATOM C CB . VAL Q 16 121 ? 6.920 -53.760 -85.628 1.00 57.72 ? 121 VAL V CB 1 ? ? +23606 ATOM C CG1 . VAL Q 16 121 ? 6.002 -54.351 -84.564 1.00 57.56 ? 121 VAL V CG1 1 ? ? +23607 ATOM C CG2 . VAL Q 16 121 ? 6.651 -54.391 -86.988 1.00 58.49 ? 121 VAL V CG2 1 ? ? +23608 ATOM C C . VAL Q 16 121 ? 6.714 -51.625 -84.307 1.00 56.90 ? 121 VAL V C 1 ? ? +23609 ATOM O O . VAL Q 16 121 ? 5.632 -51.367 -83.795 1.00 56.87 ? 121 VAL V O 1 ? ? +23610 ATOM N N . GLU Q 16 122 ? 7.882 -51.390 -83.702 1.00 56.57 ? 122 GLU V N 1 ? ? +23611 ATOM C CA . GLU Q 16 122 ? 7.956 -51.005 -82.300 1.00 55.93 ? 122 GLU V CA 1 ? ? +23612 ATOM C CB . GLU Q 16 122 ? 9.425 -50.834 -81.878 1.00 55.67 ? 122 GLU V CB 1 ? ? +23613 ATOM C CG . GLU Q 16 122 ? 9.632 -51.082 -80.392 1.00 55.23 ? 122 GLU V CG 1 ? ? +23614 ATOM C CD . GLU Q 16 122 ? 9.350 -52.502 -79.939 1.00 55.53 ? 122 GLU V CD 1 ? ? +23615 ATOM O OE1 . GLU Q 16 122 ? 9.082 -53.377 -80.796 1.00 56.23 ? 122 GLU V OE1 1 ? ? +23616 ATOM O OE2 . GLU Q 16 122 ? 9.383 -52.733 -78.711 1.00 55.34 ? 122 GLU V OE2 1 ? ? +23617 ATOM C C . GLU Q 16 122 ? 7.164 -49.755 -81.914 1.00 55.51 ? 122 GLU V C 1 ? ? +23618 ATOM O O . GLU Q 16 122 ? 6.557 -49.744 -80.848 1.00 55.11 ? 122 GLU V O 1 ? ? +23619 ATOM N N . PRO Q 16 123 ? 7.153 -48.667 -82.721 1.00 55.63 ? 123 PRO V N 1 ? ? +23620 ATOM C CA . PRO Q 16 123 ? 6.296 -47.511 -82.440 1.00 55.55 ? 123 PRO V CA 1 ? ? +23621 ATOM C CB . PRO Q 16 123 ? 6.577 -46.549 -83.602 1.00 55.79 ? 123 PRO V CB 1 ? ? +23622 ATOM C CG . PRO Q 16 123 ? 7.706 -47.077 -84.316 1.00 56.01 ? 123 PRO V CG 1 ? ? +23623 ATOM C CD . PRO Q 16 123 ? 7.957 -48.484 -83.936 1.00 56.02 ? 123 PRO V CD 1 ? ? +23624 ATOM C C . PRO Q 16 123 ? 4.798 -47.828 -82.390 1.00 55.94 ? 123 PRO V C 1 ? ? +23625 ATOM O O . PRO Q 16 123 ? 4.042 -47.185 -81.664 1.00 55.64 ? 123 PRO V O 1 ? ? +23626 ATOM N N . LYS Q 16 124 ? 4.381 -48.818 -83.186 1.00 56.64 ? 124 LYS V N 1 ? ? +23627 ATOM C CA . LYS Q 16 124 ? 2.999 -49.252 -83.218 1.00 57.18 ? 124 LYS V CA 1 ? ? +23628 ATOM C CB . LYS Q 16 124 ? 2.766 -50.243 -84.355 1.00 57.93 ? 124 LYS V CB 1 ? ? +23629 ATOM C CG . LYS Q 16 124 ? 3.081 -49.660 -85.729 1.00 58.42 ? 124 LYS V CG 1 ? ? +23630 ATOM C CD . LYS Q 16 124 ? 3.068 -50.677 -86.835 1.00 59.20 ? 124 LYS V CD 1 ? ? +23631 ATOM C CE . LYS Q 16 124 ? 1.678 -51.076 -87.220 1.00 59.90 ? 124 LYS V CE 1 ? ? +23632 ATOM N NZ . LYS Q 16 124 ? 1.701 -51.964 -88.414 1.00 60.74 ? 124 LYS V NZ 1 ? ? +23633 ATOM C C . LYS Q 16 124 ? 2.635 -49.869 -81.874 1.00 56.97 ? 124 LYS V C 1 ? ? +23634 ATOM O O . LYS Q 16 124 ? 1.488 -49.778 -81.448 1.00 57.19 ? 124 LYS V O 1 ? ? +23635 ATOM N N . ILE Q 16 125 ? 3.622 -50.480 -81.207 1.00 56.62 ? 125 ILE V N 1 ? ? +23636 ATOM C CA . ILE Q 16 125 ? 3.425 -51.062 -79.891 1.00 56.35 ? 125 ILE V CA 1 ? ? +23637 ATOM C CB . ILE Q 16 125 ? 4.424 -52.211 -79.662 1.00 56.25 ? 125 ILE V CB 1 ? ? +23638 ATOM C CG1 . ILE Q 16 125 ? 4.271 -53.284 -80.732 1.00 56.92 ? 125 ILE V CG1 1 ? ? +23639 ATOM C CG2 . ILE Q 16 125 ? 4.304 -52.811 -78.261 1.00 55.88 ? 125 ILE V CG2 1 ? ? +23640 ATOM C CD1 . ILE Q 16 125 ? 5.312 -54.382 -80.639 1.00 56.98 ? 125 ILE V CD1 1 ? ? +23641 ATOM C C . ILE Q 16 125 ? 3.543 -50.019 -78.783 1.00 55.94 ? 125 ILE V C 1 ? ? +23642 ATOM O O . ILE Q 16 125 ? 2.637 -49.881 -77.968 1.00 56.10 ? 125 ILE V O 1 ? ? +23643 ATOM N N . LEU Q 16 126 ? 4.673 -49.303 -78.744 1.00 55.70 ? 126 LEU V N 1 ? ? +23644 ATOM C CA . LEU Q 16 126 ? 5.017 -48.458 -77.611 1.00 55.05 ? 126 LEU V CA 1 ? ? +23645 ATOM C CB . LEU Q 16 126 ? 6.542 -48.473 -77.457 1.00 54.65 ? 126 LEU V CB 1 ? ? +23646 ATOM C CG . LEU Q 16 126 ? 7.164 -49.799 -77.023 1.00 54.61 ? 126 LEU V CG 1 ? ? +23647 ATOM C CD1 . LEU Q 16 126 ? 8.678 -49.692 -76.930 1.00 54.30 ? 126 LEU V CD1 1 ? ? +23648 ATOM C CD2 . LEU Q 16 126 ? 6.613 -50.259 -75.707 1.00 54.27 ? 126 LEU V CD2 1 ? ? +23649 ATOM C C . LEU Q 16 126 ? 4.528 -47.012 -77.695 1.00 55.12 ? 126 LEU V C 1 ? ? +23650 ATOM O O . LEU Q 16 126 ? 4.599 -46.287 -76.705 1.00 54.58 ? 126 LEU V O 1 ? ? +23651 ATOM N N . GLY Q 16 127 ? 4.029 -46.587 -78.862 1.00 55.91 ? 127 GLY V N 1 ? ? +23652 ATOM C CA . GLY Q 16 127 ? 3.621 -45.202 -79.046 1.00 56.19 ? 127 GLY V CA 1 ? ? +23653 ATOM C C . GLY Q 16 127 ? 4.749 -44.210 -78.750 1.00 56.23 ? 127 GLY V C 1 ? ? +23654 ATOM O O . GLY Q 16 127 ? 5.852 -44.359 -79.270 1.00 56.42 ? 127 GLY V O 1 ? ? +23655 ATOM N N . ASP Q 16 128 ? 4.478 -43.222 -77.890 1.00 56.34 ? 128 ASP V N 1 ? ? +23656 ATOM C CA . ASP Q 16 128 ? 5.420 -42.150 -77.608 1.00 56.35 ? 128 ASP V CA 1 ? ? +23657 ATOM C CB . ASP Q 16 128 ? 4.754 -41.067 -76.735 1.00 57.06 ? 128 ASP V CB 1 ? ? +23658 ATOM C CG . ASP Q 16 128 ? 3.729 -40.240 -77.482 1.00 58.86 ? 128 ASP V CG 1 ? ? +23659 ATOM O OD1 . ASP Q 16 128 ? 3.768 -40.239 -78.740 1.00 60.71 ? 128 ASP V OD1 1 ? ? +23660 ATOM O OD2 . ASP Q 16 128 ? 2.845 -39.622 -76.812 1.00 59.86 ? 128 ASP V OD2 1 ? ? +23661 ATOM C C . ASP Q 16 128 ? 6.699 -42.635 -76.928 1.00 55.33 ? 128 ASP V C 1 ? ? +23662 ATOM O O . ASP Q 16 128 ? 7.743 -41.992 -77.042 1.00 55.03 ? 128 ASP V O 1 ? ? +23663 ATOM N N . LYS Q 16 129 ? 6.618 -43.770 -76.224 1.00 54.62 ? 129 LYS V N 1 ? ? +23664 ATOM C CA . LYS Q 16 129 ? 7.785 -44.350 -75.592 1.00 53.85 ? 129 LYS V CA 1 ? ? +23665 ATOM C CB . LYS Q 16 129 ? 7.444 -45.670 -74.923 1.00 53.88 ? 129 LYS V CB 1 ? ? +23666 ATOM C CG . LYS Q 16 129 ? 6.670 -45.551 -73.643 1.00 53.58 ? 129 LYS V CG 1 ? ? +23667 ATOM C CD . LYS Q 16 129 ? 6.743 -46.896 -72.833 1.00 53.65 ? 129 LYS V CD 1 ? ? +23668 ATOM C CE . LYS Q 16 129 ? 6.522 -46.706 -71.352 1.00 53.33 ? 129 LYS V CE 1 ? ? +23669 ATOM N NZ . LYS Q 16 129 ? 5.236 -45.997 -71.131 1.00 53.70 ? 129 LYS V NZ 1 ? ? +23670 ATOM C C . LYS Q 16 129 ? 8.928 -44.570 -76.582 1.00 53.64 ? 129 LYS V C 1 ? ? +23671 ATOM O O . LYS Q 16 129 ? 10.079 -44.376 -76.223 1.00 53.50 ? 129 LYS V O 1 ? ? +23672 ATOM N N . TRP Q 16 130 ? 8.606 -44.981 -77.813 1.00 53.63 ? 130 TRP V N 1 ? ? +23673 ATOM C CA . TRP Q 16 130 ? 9.613 -45.166 -78.843 1.00 53.48 ? 130 TRP V CA 1 ? ? +23674 ATOM C CB . TRP Q 16 130 ? 9.082 -45.984 -80.009 1.00 53.97 ? 130 TRP V CB 1 ? ? +23675 ATOM C CG . TRP Q 16 130 ? 10.089 -46.282 -81.086 1.00 54.12 ? 130 TRP V CG 1 ? ? +23676 ATOM C CD1 . TRP Q 16 130 ? 10.145 -45.725 -82.330 1.00 54.46 ? 130 TRP V CD1 1 ? ? +23677 ATOM N NE1 . TRP Q 16 130 ? 11.172 -46.273 -83.046 1.00 54.68 ? 130 TRP V NE1 1 ? ? +23678 ATOM C CE2 . TRP Q 16 130 ? 11.794 -47.217 -82.274 1.00 54.43 ? 130 TRP V CE2 1 ? ? +23679 ATOM C CZ2 . TRP Q 16 130 ? 12.899 -48.032 -82.555 1.00 54.57 ? 130 TRP V CZ2 1 ? ? +23680 ATOM C CH2 . TRP Q 16 130 ? 13.309 -48.902 -81.573 1.00 54.28 ? 130 TRP V CH2 1 ? ? +23681 ATOM C CZ3 . TRP Q 16 130 ? 12.663 -48.958 -80.333 1.00 53.85 ? 130 TRP V CZ3 1 ? ? +23682 ATOM C CE3 . TRP Q 16 130 ? 11.566 -48.148 -80.057 1.00 53.69 ? 130 TRP V CE3 1 ? ? +23683 ATOM C CD2 . TRP Q 16 130 ? 11.123 -47.255 -81.036 1.00 53.97 ? 130 TRP V CD2 1 ? ? +23684 ATOM C C . TRP Q 16 130 ? 10.068 -43.806 -79.350 1.00 53.23 ? 130 TRP V C 1 ? ? +23685 ATOM O O . TRP Q 16 130 ? 9.257 -43.042 -79.877 1.00 53.44 ? 130 TRP V O 1 ? ? +23686 ATOM N N . GLY Q 16 131 ? 11.365 -43.523 -79.168 1.00 52.66 ? 131 GLY V N 1 ? ? +23687 ATOM C CA . GLY Q 16 131 ? 11.947 -42.258 -79.567 1.00 52.40 ? 131 GLY V CA 1 ? ? +23688 ATOM C C . GLY Q 16 131 ? 11.656 -41.116 -78.604 1.00 51.75 ? 131 GLY V C 1 ? ? +23689 ATOM O O . GLY Q 16 131 ? 11.975 -39.973 -78.907 1.00 51.82 ? 131 GLY V O 1 ? ? +23690 ATOM N N . GLY Q 16 132 ? 11.053 -41.432 -77.455 1.00 51.25 ? 132 GLY V N 1 ? ? +23691 ATOM C CA . GLY Q 16 132 ? 10.565 -40.420 -76.531 1.00 50.76 ? 132 GLY V CA 1 ? ? +23692 ATOM C C . GLY Q 16 132 ? 11.591 -39.972 -75.496 1.00 50.17 ? 132 GLY V C 1 ? ? +23693 ATOM O O . GLY Q 16 132 ? 11.514 -38.866 -74.974 1.00 49.90 ? 132 GLY V O 1 ? ? +23694 ATOM N N . GLY Q 16 133 ? 12.543 -40.859 -75.199 1.00 50.03 ? 133 GLY V N 1 ? ? +23695 ATOM C CA . GLY Q 16 133 ? 13.526 -40.631 -74.154 1.00 49.49 ? 133 GLY V CA 1 ? ? +23696 ATOM C C . GLY Q 16 133 ? 12.973 -40.830 -72.744 1.00 48.99 ? 133 GLY V C 1 ? ? +23697 ATOM O O . GLY Q 16 133 ? 11.890 -41.395 -72.559 1.00 49.27 ? 133 GLY V O 1 ? ? +23698 ATOM N N A LYS Q 16 134 ? 13.715 -40.319 -71.755 0.40 48.51 ? 134 LYS V N 1 ? ? +23699 ATOM N N B LYS Q 16 134 ? 13.719 -40.323 -71.757 0.60 48.47 ? 134 LYS V N 1 ? ? +23700 ATOM C CA A LYS Q 16 134 ? 13.456 -40.602 -70.353 0.40 48.03 ? 134 LYS V CA 1 ? ? +23701 ATOM C CA B LYS Q 16 134 ? 13.458 -40.596 -70.353 0.60 47.98 ? 134 LYS V CA 1 ? ? +23702 ATOM C C A LYS Q 16 134 ? 12.109 -40.080 -69.854 0.40 47.83 ? 134 LYS V C 1 ? ? +23703 ATOM C C B LYS Q 16 134 ? 12.108 -40.080 -69.857 0.60 47.78 ? 134 LYS V C 1 ? ? +23704 ATOM O O A LYS Q 16 134 ? 11.576 -40.593 -68.873 0.40 47.57 ? 134 LYS V O 1 ? ? +23705 ATOM O O B LYS Q 16 134 ? 11.577 -40.588 -68.873 0.60 47.51 ? 134 LYS V O 1 ? ? +23706 ATOM C CB A LYS Q 16 134 ? 14.577 -40.009 -69.493 0.40 47.61 ? 134 LYS V CB 1 ? ? +23707 ATOM C CB B LYS Q 16 134 ? 14.575 -40.000 -69.490 0.60 47.52 ? 134 LYS V CB 1 ? ? +23708 ATOM C CG A LYS Q 16 134 ? 14.599 -38.497 -69.496 0.40 47.44 ? 134 LYS V CG 1 ? ? +23709 ATOM C CG B LYS Q 16 134 ? 14.590 -38.482 -69.474 0.60 47.33 ? 134 LYS V CG 1 ? ? +23710 ATOM C CD A LYS Q 16 134 ? 15.718 -37.920 -68.645 0.40 47.11 ? 134 LYS V CD 1 ? ? +23711 ATOM C CD B LYS Q 16 134 ? 15.690 -37.904 -68.598 0.60 46.99 ? 134 LYS V CD 1 ? ? +23712 ATOM C CE A LYS Q 16 134 ? 17.075 -38.123 -69.258 0.40 47.30 ? 134 LYS V CE 1 ? ? +23713 ATOM C CE B LYS Q 16 134 ? 17.066 -38.128 -69.158 0.60 47.14 ? 134 LYS V CE 1 ? ? +23714 ATOM N NZ A LYS Q 16 134 ? 18.139 -37.555 -68.394 0.40 47.01 ? 134 LYS V NZ 1 ? ? +23715 ATOM N NZ B LYS Q 16 134 ? 18.087 -37.442 -68.328 0.60 46.85 ? 134 LYS V NZ 1 ? ? +23716 ATOM N N . VAL Q 16 135 ? 11.571 -39.057 -70.527 1.00 47.95 ? 135 VAL V N 1 ? ? +23717 ATOM C CA . VAL Q 16 135 ? 10.291 -38.480 -70.145 1.00 47.89 ? 135 VAL V CA 1 ? ? +23718 ATOM C CB . VAL Q 16 135 ? 9.878 -37.302 -71.055 1.00 48.13 ? 135 VAL V CB 1 ? ? +23719 ATOM C CG1 . VAL Q 16 135 ? 8.441 -36.913 -70.823 1.00 48.19 ? 135 VAL V CG1 1 ? ? +23720 ATOM C CG2 . VAL Q 16 135 ? 10.778 -36.102 -70.857 1.00 47.90 ? 135 VAL V CG2 1 ? ? +23721 ATOM C C . VAL Q 16 135 ? 9.194 -39.544 -70.103 1.00 48.07 ? 135 VAL V C 1 ? ? +23722 ATOM O O . VAL Q 16 135 ? 8.317 -39.475 -69.248 1.00 47.84 ? 135 VAL V O 1 ? ? +23723 ATOM N N . TYR Q 16 136 ? 9.275 -40.532 -71.005 1.00 48.48 ? 136 TYR V N 1 ? ? +23724 ATOM C CA . TYR Q 16 136 ? 8.269 -41.581 -71.116 1.00 48.77 ? 136 TYR V CA 1 ? ? +23725 ATOM C CB . TYR Q 16 136 ? 7.836 -41.713 -72.589 1.00 49.41 ? 136 TYR V CB 1 ? ? +23726 ATOM C CG . TYR Q 16 136 ? 7.339 -40.408 -73.166 1.00 49.63 ? 136 TYR V CG 1 ? ? +23727 ATOM C CD1 . TYR Q 16 136 ? 6.019 -40.000 -72.984 1.00 49.79 ? 136 TYR V CD1 1 ? ? +23728 ATOM C CD2 . TYR Q 16 136 ? 8.200 -39.554 -73.851 1.00 49.75 ? 136 TYR V CD2 1 ? ? +23729 ATOM C CE1 . TYR Q 16 136 ? 5.560 -38.787 -73.488 1.00 49.95 ? 136 TYR V CE1 1 ? ? +23730 ATOM C CE2 . TYR Q 16 136 ? 7.761 -38.335 -74.349 1.00 49.98 ? 136 TYR V CE2 1 ? ? +23731 ATOM C CZ . TYR Q 16 136 ? 6.430 -37.956 -74.175 1.00 50.09 ? 136 TYR V CZ 1 ? ? +23732 ATOM O OH . TYR Q 16 136 ? 6.018 -36.735 -74.672 1.00 50.29 ? 136 TYR V OH 1 ? ? +23733 ATOM C C . TYR Q 16 136 ? 8.688 -42.958 -70.599 1.00 48.66 ? 136 TYR V C 1 ? ? +23734 ATOM O O . TYR Q 16 136 ? 8.034 -43.947 -70.894 1.00 48.98 ? 136 TYR V O 1 ? ? +23735 ATOM N N A TYR Q 16 137 ? 9.779 -43.003 -69.826 0.40 48.30 ? 137 TYR V N 1 ? ? +23736 ATOM N N B TYR Q 16 137 ? 9.777 -43.010 -69.828 0.60 48.29 ? 137 TYR V N 1 ? ? +23737 ATOM C CA A TYR Q 16 137 ? 10.251 -44.232 -69.208 0.40 48.21 ? 137 TYR V CA 1 ? ? +23738 ATOM C CA B TYR Q 16 137 ? 10.233 -44.246 -69.208 0.60 48.21 ? 137 TYR V CA 1 ? ? +23739 ATOM C C A TYR Q 16 137 ? 9.296 -44.716 -68.143 0.40 48.08 ? 137 TYR V C 1 ? ? +23740 ATOM C C B TYR Q 16 137 ? 9.280 -44.697 -68.128 0.60 48.05 ? 137 TYR V C 1 ? ? +23741 ATOM O O A TYR Q 16 137 ? 9.218 -45.908 -67.885 0.40 48.22 ? 137 TYR V O 1 ? ? +23742 ATOM O O B TYR Q 16 137 ? 9.185 -45.884 -67.852 0.60 48.19 ? 137 TYR V O 1 ? ? +23743 ATOM C CB A TYR Q 16 137 ? 11.623 -44.031 -68.553 0.40 47.83 ? 137 TYR V CB 1 ? ? +23744 ATOM C CB B TYR Q 16 137 ? 11.620 -44.077 -68.570 0.60 47.82 ? 137 TYR V CB 1 ? ? +23745 ATOM C CG A TYR Q 16 137 ? 12.792 -44.077 -69.506 0.40 48.03 ? 137 TYR V CG 1 ? ? +23746 ATOM C CG B TYR Q 16 137 ? 12.793 -44.105 -69.520 0.60 48.01 ? 137 TYR V CG 1 ? ? +23747 ATOM C CD1 A TYR Q 16 137 ? 12.596 -44.168 -70.874 0.40 48.45 ? 137 TYR V CD1 1 ? ? +23748 ATOM C CD1 B TYR Q 16 137 ? 12.606 -44.177 -70.893 0.60 48.43 ? 137 TYR V CD1 1 ? ? +23749 ATOM C CD2 A TYR Q 16 137 ? 14.098 -44.040 -69.037 0.40 47.82 ? 137 TYR V CD2 1 ? ? +23750 ATOM C CD2 B TYR Q 16 137 ? 14.099 -44.061 -69.044 0.60 47.81 ? 137 TYR V CD2 1 ? ? +23751 ATOM C CE1 A TYR Q 16 137 ? 13.667 -44.218 -71.752 0.40 48.67 ? 137 TYR V CE1 1 ? ? +23752 ATOM C CE1 B TYR Q 16 137 ? 13.685 -44.211 -71.764 0.60 48.64 ? 137 TYR V CE1 1 ? ? +23753 ATOM C CE2 A TYR Q 16 137 ? 15.176 -44.092 -69.905 0.40 48.03 ? 137 TYR V CE2 1 ? ? +23754 ATOM C CE2 B TYR Q 16 137 ? 15.182 -44.093 -69.906 0.60 47.99 ? 137 TYR V CE2 1 ? ? +23755 ATOM C CZ A TYR Q 16 137 ? 14.958 -44.184 -71.262 0.40 48.47 ? 137 TYR V CZ 1 ? ? +23756 ATOM C CZ B TYR Q 16 137 ? 14.972 -44.173 -71.265 0.60 48.44 ? 137 TYR V CZ 1 ? ? +23757 ATOM O OH A TYR Q 16 137 ? 16.027 -44.239 -72.122 0.40 48.75 ? 137 TYR V OH 1 ? ? +23758 ATOM O OH B TYR Q 16 137 ? 16.047 -44.209 -72.117 0.60 48.73 ? 137 TYR V OH 1 ? ? +23759 ATOM O OXT A TYR Q 16 137 ? 8.636 -43.910 -67.505 0.40 47.85 ? 137 TYR V OXT 1 ? ? +23760 ATOM O OXT B TYR Q 16 137 ? 8.644 -43.873 -67.495 0.60 47.81 ? 137 TYR V OXT 1 ? ? +23761 ATOM N N . THR R 17 1 ? -35.432 -50.949 -42.892 1.00 83.99 ? 2 THR X N 1 ? ? +23762 ATOM C CA . THR R 17 1 ? -35.305 -51.844 -44.057 1.00 83.71 ? 2 THR X CA 1 ? ? +23763 ATOM C CB . THR R 17 1 ? -35.304 -51.052 -45.404 1.00 84.00 ? 2 THR X CB 1 ? ? +23764 ATOM O OG1 . THR R 17 1 ? -35.501 -49.643 -45.180 1.00 83.79 ? 2 THR X OG1 1 ? ? +23765 ATOM C CG2 . THR R 17 1 ? -36.351 -51.594 -46.402 1.00 84.75 ? 2 THR X CG2 1 ? ? +23766 ATOM C C . THR R 17 1 ? -34.017 -52.652 -43.894 1.00 80.74 ? 2 THR X C 1 ? ? +23767 ATOM O O . THR R 17 1 ? -33.083 -52.183 -43.250 1.00 80.35 ? 2 THR X O 1 ? ? +23768 ATOM N N . ILE R 17 2 ? -33.982 -53.860 -44.478 1.00 78.77 ? 3 ILE X N 1 ? ? +23769 ATOM C CA . ILE R 17 2 ? -32.796 -54.695 -44.467 1.00 76.58 ? 3 ILE X CA 1 ? ? +23770 ATOM C CB . ILE R 17 2 ? -33.131 -56.200 -44.244 1.00 78.27 ? 3 ILE X CB 1 ? ? +23771 ATOM C CG1 . ILE R 17 2 ? -33.741 -56.449 -42.864 1.00 79.10 ? 3 ILE X CG1 1 ? ? +23772 ATOM C CG2 . ILE R 17 2 ? -31.884 -57.113 -44.388 1.00 78.32 ? 3 ILE X CG2 1 ? ? +23773 ATOM C CD1 . ILE R 17 2 ? -34.936 -55.668 -42.482 1.00 80.45 ? 3 ILE X CD1 1 ? ? +23774 ATOM C C . ILE R 17 2 ? -32.053 -54.439 -45.775 1.00 73.63 ? 3 ILE X C 1 ? ? +23775 ATOM O O . ILE R 17 2 ? -32.246 -55.146 -46.759 1.00 73.25 ? 3 ILE X O 1 ? ? +23776 ATOM N N . THR R 17 3 ? -31.179 -53.427 -45.768 1.00 71.04 ? 4 THR X N 1 ? ? +23777 ATOM C CA . THR R 17 3 ? -30.376 -53.109 -46.938 1.00 68.89 ? 4 THR X CA 1 ? ? +23778 ATOM C CB . THR R 17 3 ? -29.626 -51.815 -46.753 1.00 67.84 ? 4 THR X CB 1 ? ? +23779 ATOM O OG1 . THR R 17 3 ? -28.702 -51.984 -45.668 1.00 67.32 ? 4 THR X OG1 1 ? ? +23780 ATOM C CG2 . THR R 17 3 ? -30.553 -50.630 -46.502 1.00 68.02 ? 4 THR X CG2 1 ? ? +23781 ATOM C C . THR R 17 3 ? -29.432 -54.271 -47.223 1.00 67.41 ? 4 THR X C 1 ? ? +23782 ATOM O O . THR R 17 3 ? -29.141 -55.068 -46.339 1.00 66.83 ? 4 THR X O 1 ? ? +23783 ATOM N N . PRO R 17 4 ? -28.940 -54.411 -48.472 1.00 66.52 ? 5 PRO X N 1 ? ? +23784 ATOM C CA . PRO R 17 4 ? -27.932 -55.428 -48.790 1.00 66.00 ? 5 PRO X CA 1 ? ? +23785 ATOM C CB . PRO R 17 4 ? -27.484 -55.053 -50.209 1.00 65.78 ? 5 PRO X CB 1 ? ? +23786 ATOM C CG . PRO R 17 4 ? -28.650 -54.290 -50.789 1.00 66.43 ? 5 PRO X CG 1 ? ? +23787 ATOM C CD . PRO R 17 4 ? -29.314 -53.583 -49.631 1.00 66.51 ? 5 PRO X CD 1 ? ? +23788 ATOM C C . PRO R 17 4 ? -26.745 -55.466 -47.825 1.00 64.82 ? 5 PRO X C 1 ? ? +23789 ATOM O O . PRO R 17 4 ? -26.297 -56.551 -47.461 1.00 64.71 ? 5 PRO X O 1 ? ? +23790 ATOM N N . SER R 17 5 ? -26.257 -54.293 -47.394 1.00 63.82 ? 6 SER X N 1 ? ? +23791 ATOM C CA . SER R 17 5 ? -25.122 -54.243 -46.478 1.00 63.00 ? 6 SER X CA 1 ? ? +23792 ATOM C CB . SER R 17 5 ? -24.442 -52.874 -46.515 1.00 62.20 ? 6 SER X CB 1 ? ? +23793 ATOM O OG . SER R 17 5 ? -25.238 -51.873 -45.906 1.00 62.51 ? 6 SER X OG 1 ? ? +23794 ATOM C C . SER R 17 5 ? -25.472 -54.609 -45.034 1.00 63.04 ? 6 SER X C 1 ? ? +23795 ATOM O O . SER R 17 5 ? -24.640 -55.130 -44.308 1.00 62.51 ? 6 SER X O 1 ? ? +23796 ATOM N N . LEU R 17 6 ? -26.712 -54.360 -44.606 1.00 63.84 ? 7 LEU X N 1 ? ? +23797 ATOM C CA . LEU R 17 6 ? -27.132 -54.799 -43.284 1.00 64.11 ? 7 LEU X CA 1 ? ? +23798 ATOM C CB . LEU R 17 6 ? -28.506 -54.211 -42.912 1.00 64.73 ? 7 LEU X CB 1 ? ? +23799 ATOM C CG . LEU R 17 6 ? -29.049 -54.560 -41.520 1.00 65.11 ? 7 LEU X CG 1 ? ? +23800 ATOM C CD1 . LEU R 17 6 ? -28.063 -54.172 -40.424 1.00 64.30 ? 7 LEU X CD1 1 ? ? +23801 ATOM C CD2 . LEU R 17 6 ? -30.382 -53.872 -41.258 1.00 65.61 ? 7 LEU X CD2 1 ? ? +23802 ATOM C C . LEU R 17 6 ? -27.144 -56.326 -43.251 1.00 64.76 ? 7 LEU X C 1 ? ? +23803 ATOM O O . LEU R 17 6 ? -26.711 -56.939 -42.274 1.00 64.63 ? 7 LEU X O 1 ? ? +23804 ATOM N N . LYS R 17 7 ? -27.637 -56.928 -44.340 1.00 65.51 ? 8 LYS X N 1 ? ? +23805 ATOM C CA . LYS R 17 7 ? -27.578 -58.367 -44.524 1.00 66.05 ? 8 LYS X CA 1 ? ? +23806 ATOM C CB . LYS R 17 7 ? -28.291 -58.748 -45.835 1.00 67.25 ? 8 LYS X CB 1 ? ? +23807 ATOM C CG . LYS R 17 7 ? -28.310 -60.241 -46.112 1.00 68.45 ? 8 LYS X CG 1 ? ? +23808 ATOM C CD . LYS R 17 7 ? -28.826 -60.607 -47.513 1.00 69.57 ? 8 LYS X CD 1 ? ? +23809 ATOM C CE . LYS R 17 7 ? -28.792 -62.110 -47.724 1.00 70.72 ? 8 LYS X CE 1 ? ? +23810 ATOM N NZ . LYS R 17 7 ? -29.330 -62.500 -49.056 1.00 71.76 ? 8 LYS X NZ 1 ? ? +23811 ATOM C C . LYS R 17 7 ? -26.115 -58.814 -44.497 1.00 64.75 ? 8 LYS X C 1 ? ? +23812 ATOM O O . LYS R 17 7 ? -25.762 -59.734 -43.771 1.00 64.66 ? 8 LYS X O 1 ? ? +23813 ATOM N N . GLY R 17 8 ? -25.256 -58.131 -45.259 1.00 63.64 ? 9 GLY X N 1 ? ? +23814 ATOM C CA . GLY R 17 8 ? -23.816 -58.364 -45.211 1.00 62.67 ? 9 GLY X CA 1 ? ? +23815 ATOM C C . GLY R 17 8 ? -23.246 -58.343 -43.796 1.00 61.93 ? 9 GLY X C 1 ? ? +23816 ATOM O O . GLY R 17 8 ? -22.452 -59.197 -43.429 1.00 61.50 ? 9 GLY X O 1 ? ? +23817 ATOM N N . PHE R 17 9 ? -23.700 -57.374 -43.003 1.00 61.81 ? 10 PHE X N 1 ? ? +23818 ATOM C CA . PHE R 17 9 ? -23.318 -57.264 -41.608 1.00 61.67 ? 10 PHE X CA 1 ? ? +23819 ATOM C CB . PHE R 17 9 ? -23.904 -55.981 -41.016 1.00 61.23 ? 10 PHE X CB 1 ? ? +23820 ATOM C CG . PHE R 17 9 ? -23.503 -55.712 -39.595 1.00 60.70 ? 10 PHE X CG 1 ? ? +23821 ATOM C CD2 . PHE R 17 9 ? -24.363 -56.000 -38.550 1.00 61.13 ? 10 PHE X CD2 1 ? ? +23822 ATOM C CD1 . PHE R 17 9 ? -22.270 -55.135 -39.301 1.00 59.79 ? 10 PHE X CD1 1 ? ? +23823 ATOM C CE2 . PHE R 17 9 ? -23.999 -55.739 -37.240 1.00 60.82 ? 10 PHE X CE2 1 ? ? +23824 ATOM C CE1 . PHE R 17 9 ? -21.897 -54.876 -37.989 1.00 59.40 ? 10 PHE X CE1 1 ? ? +23825 ATOM C CZ . PHE R 17 9 ? -22.765 -55.173 -36.962 1.00 59.97 ? 10 PHE X CZ 1 ? ? +23826 ATOM C C . PHE R 17 9 ? -23.713 -58.490 -40.780 1.00 63.05 ? 10 PHE X C 1 ? ? +23827 ATOM O O . PHE R 17 9 ? -22.905 -58.994 -40.014 1.00 62.97 ? 10 PHE X O 1 ? ? +23828 ATOM N N . PHE R 17 10 ? -24.941 -58.996 -40.930 1.00 64.78 ? 11 PHE X N 1 ? ? +23829 ATOM C CA . PHE R 17 10 ? -25.335 -60.188 -40.191 1.00 66.22 ? 11 PHE X CA 1 ? ? +23830 ATOM C CB . PHE R 17 10 ? -26.861 -60.463 -40.323 1.00 68.05 ? 11 PHE X CB 1 ? ? +23831 ATOM C CG . PHE R 17 10 ? -27.702 -59.427 -39.622 1.00 69.06 ? 11 PHE X CG 1 ? ? +23832 ATOM C CD1 . PHE R 17 10 ? -27.454 -59.085 -38.293 1.00 69.20 ? 11 PHE X CD1 1 ? ? +23833 ATOM C CD2 . PHE R 17 10 ? -28.732 -58.782 -40.288 1.00 70.05 ? 11 PHE X CD2 1 ? ? +23834 ATOM C CE1 . PHE R 17 10 ? -28.217 -58.114 -37.651 1.00 69.58 ? 11 PHE X CE1 1 ? ? +23835 ATOM C CE2 . PHE R 17 10 ? -29.509 -57.822 -39.639 1.00 70.52 ? 11 PHE X CE2 1 ? ? +23836 ATOM C CZ . PHE R 17 10 ? -29.247 -57.494 -38.325 1.00 70.28 ? 11 PHE X CZ 1 ? ? +23837 ATOM C C . PHE R 17 10 ? -24.544 -61.434 -40.601 1.00 66.10 ? 11 PHE X C 1 ? ? +23838 ATOM O O . PHE R 17 10 ? -24.217 -62.270 -39.762 1.00 65.68 ? 11 PHE X O 1 ? ? +23839 ATOM N N . ILE R 17 11 ? -24.270 -61.573 -41.901 1.00 66.35 ? 12 ILE X N 1 ? ? +23840 ATOM C CA . ILE R 17 11 ? -23.471 -62.681 -42.394 1.00 66.79 ? 12 ILE X CA 1 ? ? +23841 ATOM C CB . ILE R 17 11 ? -23.306 -62.661 -43.937 1.00 66.84 ? 12 ILE X CB 1 ? ? +23842 ATOM C CG1 . ILE R 17 11 ? -24.641 -62.887 -44.679 1.00 67.78 ? 12 ILE X CG1 1 ? ? +23843 ATOM C CG2 . ILE R 17 11 ? -22.247 -63.659 -44.391 1.00 66.63 ? 12 ILE X CG2 1 ? ? +23844 ATOM C CD1 . ILE R 17 11 ? -25.305 -64.095 -44.365 1.00 68.78 ? 12 ILE X CD1 1 ? ? +23845 ATOM C C . ILE R 17 11 ? -22.100 -62.641 -41.727 1.00 66.37 ? 12 ILE X C 1 ? ? +23846 ATOM O O . ILE R 17 11 ? -21.616 -63.658 -41.240 1.00 67.18 ? 12 ILE X O 1 ? ? +23847 ATOM N N . GLY R 17 12 ? -21.484 -61.460 -41.710 1.00 65.52 ? 13 GLY X N 1 ? ? +23848 ATOM C CA . GLY R 17 12 ? -20.217 -61.282 -41.022 1.00 65.10 ? 13 GLY X CA 1 ? ? +23849 ATOM C C . GLY R 17 12 ? -20.293 -61.724 -39.564 1.00 65.42 ? 13 GLY X C 1 ? ? +23850 ATOM O O . GLY R 17 12 ? -19.404 -62.421 -39.076 1.00 65.50 ? 13 GLY X O 1 ? ? +23851 ATOM N N . LEU R 17 13 ? -21.377 -61.322 -38.891 1.00 65.61 ? 14 LEU X N 1 ? ? +23852 ATOM C CA . LEU R 17 13 ? -21.546 -61.575 -37.472 1.00 65.78 ? 14 LEU X CA 1 ? ? +23853 ATOM C CB . LEU R 17 13 ? -22.773 -60.793 -36.963 1.00 66.48 ? 14 LEU X CB 1 ? ? +23854 ATOM C CG . LEU R 17 13 ? -22.670 -60.133 -35.602 1.00 66.45 ? 14 LEU X CG 1 ? ? +23855 ATOM C CD1 . LEU R 17 13 ? -21.546 -59.138 -35.564 1.00 65.66 ? 14 LEU X CD1 1 ? ? +23856 ATOM C CD2 . LEU R 17 13 ? -23.954 -59.415 -35.248 1.00 66.90 ? 14 LEU X CD2 1 ? ? +23857 ATOM C C . LEU R 17 13 ? -21.681 -63.078 -37.230 1.00 66.39 ? 14 LEU X C 1 ? ? +23858 ATOM O O . LEU R 17 13 ? -21.016 -63.620 -36.360 1.00 66.30 ? 14 LEU X O 1 ? ? +23859 ATOM N N A LEU R 17 14 ? -22.536 -63.743 -38.019 0.50 67.08 ? 15 LEU X N 1 ? ? +23860 ATOM N N B LEU R 17 14 ? -22.536 -63.742 -38.018 0.50 67.28 ? 15 LEU X N 1 ? ? +23861 ATOM C CA A LEU R 17 14 ? -22.742 -65.180 -37.913 0.50 67.69 ? 15 LEU X CA 1 ? ? +23862 ATOM C CA B LEU R 17 14 ? -22.736 -65.179 -37.906 0.50 68.03 ? 15 LEU X CA 1 ? ? +23863 ATOM C C A LEU R 17 14 ? -21.463 -65.962 -38.215 0.50 67.27 ? 15 LEU X C 1 ? ? +23864 ATOM C C B LEU R 17 14 ? -21.460 -65.962 -38.213 0.50 67.45 ? 15 LEU X C 1 ? ? +23865 ATOM O O A LEU R 17 14 ? -21.159 -66.947 -37.545 0.50 67.63 ? 15 LEU X O 1 ? ? +23866 ATOM O O B LEU R 17 14 ? -21.157 -66.948 -37.545 0.50 67.80 ? 15 LEU X O 1 ? ? +23867 ATOM C CB A LEU R 17 14 ? -23.870 -65.612 -38.870 0.50 68.38 ? 15 LEU X CB 1 ? ? +23868 ATOM C CB B LEU R 17 14 ? -23.865 -65.626 -38.843 0.50 68.99 ? 15 LEU X CB 1 ? ? +23869 ATOM C CG A LEU R 17 14 ? -24.175 -67.099 -38.946 0.50 69.18 ? 15 LEU X CG 1 ? ? +23870 ATOM C CG B LEU R 17 14 ? -25.265 -65.343 -38.330 0.50 69.89 ? 15 LEU X CG 1 ? ? +23871 ATOM C CD1 A LEU R 17 14 ? -24.767 -67.594 -37.653 0.50 69.82 ? 15 LEU X CD1 1 ? ? +23872 ATOM C CD1 B LEU R 17 14 ? -26.330 -65.807 -39.324 0.50 70.70 ? 15 LEU X CD1 1 ? ? +23873 ATOM C CD2 A LEU R 17 14 ? -25.115 -67.407 -40.119 0.50 69.86 ? 15 LEU X CD2 1 ? ? +23874 ATOM C CD2 B LEU R 17 14 ? -25.482 -66.006 -36.990 0.50 70.63 ? 15 LEU X CD2 1 ? ? +23875 ATOM N N . SER R 17 15 ? -20.728 -65.524 -39.239 1.00 66.61 ? 16 SER X N 1 ? ? +23876 ATOM C CA . SER R 17 15 ? -19.454 -66.135 -39.598 1.00 66.23 ? 16 SER X CA 1 ? ? +23877 ATOM C CB . SER R 17 15 ? -18.845 -65.449 -40.817 1.00 65.42 ? 16 SER X CB 1 ? ? +23878 ATOM O OG . SER R 17 15 ? -19.539 -65.845 -41.987 1.00 65.87 ? 16 SER X OG 1 ? ? +23879 ATOM C C . SER R 17 15 ? -18.442 -66.105 -38.453 1.00 65.72 ? 16 SER X C 1 ? ? +23880 ATOM O O . SER R 17 15 ? -17.876 -67.135 -38.097 1.00 65.71 ? 16 SER X O 1 ? ? +23881 ATOM N N . GLY R 17 16 ? -18.232 -64.911 -37.887 1.00 65.21 ? 17 GLY X N 1 ? ? +23882 ATOM C CA . GLY R 17 16 ? -17.397 -64.745 -36.710 1.00 64.77 ? 17 GLY X CA 1 ? ? +23883 ATOM C C . GLY R 17 16 ? -17.813 -65.623 -35.531 1.00 65.76 ? 17 GLY X C 1 ? ? +23884 ATOM O O . GLY R 17 16 ? -16.970 -66.249 -34.895 1.00 65.89 ? 17 GLY X O 1 ? ? +23885 ATOM N N . ALA R 17 17 ? -19.119 -65.676 -35.251 1.00 66.58 ? 18 ALA X N 1 ? ? +23886 ATOM C CA . ALA R 17 17 ? -19.626 -66.453 -34.135 1.00 67.37 ? 18 ALA X CA 1 ? ? +23887 ATOM C CB . ALA R 17 17 ? -21.115 -66.215 -33.940 1.00 68.08 ? 18 ALA X CB 1 ? ? +23888 ATOM C C . ALA R 17 17 ? -19.343 -67.933 -34.357 1.00 68.19 ? 18 ALA X C 1 ? ? +23889 ATOM O O . ALA R 17 17 ? -18.929 -68.628 -33.438 1.00 68.55 ? 18 ALA X O 1 ? ? +23890 ATOM N N . VAL R 17 18 ? -19.565 -68.406 -35.587 1.00 68.78 ? 19 VAL X N 1 ? ? +23891 ATOM C CA . VAL R 17 18 ? -19.349 -69.806 -35.921 1.00 69.44 ? 19 VAL X CA 1 ? ? +23892 ATOM C CB . VAL R 17 18 ? -19.895 -70.164 -37.324 1.00 69.70 ? 19 VAL X CB 1 ? ? +23893 ATOM C CG1 . VAL R 17 18 ? -19.230 -71.414 -37.898 1.00 69.89 ? 19 VAL X CG1 1 ? ? +23894 ATOM C CG2 . VAL R 17 18 ? -21.409 -70.312 -37.288 1.00 70.44 ? 19 VAL X CG2 1 ? ? +23895 ATOM C C . VAL R 17 18 ? -17.870 -70.152 -35.781 1.00 69.03 ? 19 VAL X C 1 ? ? +23896 ATOM O O . VAL R 17 18 ? -17.532 -71.185 -35.212 1.00 69.76 ? 19 VAL X O 1 ? ? +23897 ATOM N N . VAL R 17 19 ? -16.994 -69.286 -36.296 1.00 68.45 ? 20 VAL X N 1 ? ? +23898 ATOM C CA . VAL R 17 19 ? -15.559 -69.503 -36.174 1.00 67.89 ? 20 VAL X CA 1 ? ? +23899 ATOM C CB . VAL R 17 19 ? -14.773 -68.478 -37.030 1.00 66.80 ? 20 VAL X CB 1 ? ? +23900 ATOM C CG1 . VAL R 17 19 ? -13.299 -68.391 -36.649 1.00 66.01 ? 20 VAL X CG1 1 ? ? +23901 ATOM C CG2 . VAL R 17 19 ? -14.921 -68.810 -38.510 1.00 67.06 ? 20 VAL X CG2 1 ? ? +23902 ATOM C C . VAL R 17 19 ? -15.148 -69.540 -34.702 1.00 68.42 ? 20 VAL X C 1 ? ? +23903 ATOM O O . VAL R 17 19 ? -14.470 -70.475 -34.292 1.00 68.40 ? 20 VAL X O 1 ? ? +23904 ATOM N N . LEU R 17 20 ? -15.590 -68.558 -33.902 1.00 69.25 ? 21 LEU X N 1 ? ? +23905 ATOM C CA . LEU R 17 20 ? -15.326 -68.553 -32.466 1.00 70.28 ? 21 LEU X CA 1 ? ? +23906 ATOM C CB . LEU R 17 20 ? -15.914 -67.306 -31.781 1.00 70.41 ? 21 LEU X CB 1 ? ? +23907 ATOM C CG . LEU R 17 20 ? -15.164 -65.990 -31.914 1.00 70.05 ? 21 LEU X CG 1 ? ? +23908 ATOM C CD1 . LEU R 17 20 ? -15.762 -64.975 -30.953 1.00 70.23 ? 21 LEU X CD1 1 ? ? +23909 ATOM C CD2 . LEU R 17 20 ? -13.646 -66.169 -31.693 1.00 69.44 ? 21 LEU X CD2 1 ? ? +23910 ATOM C C . LEU R 17 20 ? -15.909 -69.775 -31.757 1.00 72.12 ? 21 LEU X C 1 ? ? +23911 ATOM O O . LEU R 17 20 ? -15.239 -70.398 -30.936 1.00 72.80 ? 21 LEU X O 1 ? ? +23912 ATOM N N . GLY R 17 21 ? -17.177 -70.085 -32.056 1.00 73.62 ? 22 GLY X N 1 ? ? +23913 ATOM C CA . GLY R 17 21 ? -17.856 -71.216 -31.453 1.00 75.32 ? 22 GLY X CA 1 ? ? +23914 ATOM C C . GLY R 17 21 ? -17.077 -72.518 -31.626 1.00 76.82 ? 22 GLY X C 1 ? ? +23915 ATOM O O . GLY R 17 21 ? -16.755 -73.177 -30.638 1.00 77.56 ? 22 GLY X O 1 ? ? +23916 ATOM N N . LEU R 17 22 ? -16.784 -72.869 -32.887 1.00 77.46 ? 23 LEU X N 1 ? ? +23917 ATOM C CA . LEU R 17 22 ? -16.053 -74.085 -33.206 1.00 78.32 ? 23 LEU X CA 1 ? ? +23918 ATOM C CB . LEU R 17 22 ? -15.753 -74.215 -34.724 1.00 78.58 ? 23 LEU X CB 1 ? ? +23919 ATOM C CG . LEU R 17 22 ? -16.795 -74.822 -35.673 1.00 79.80 ? 23 LEU X CG 1 ? ? +23920 ATOM C CD1 . LEU R 17 22 ? -16.126 -75.864 -36.600 1.00 80.17 ? 23 LEU X CD1 1 ? ? +23921 ATOM C CD2 . LEU R 17 22 ? -17.968 -75.473 -34.958 1.00 80.75 ? 23 LEU X CD2 1 ? ? +23922 ATOM C C . LEU R 17 22 ? -14.719 -74.115 -32.465 1.00 77.90 ? 23 LEU X C 1 ? ? +23923 ATOM O O . LEU R 17 22 ? -14.374 -75.120 -31.841 1.00 79.51 ? 23 LEU X O 1 ? ? +23924 ATOM N N . THR R 17 23 ? -13.973 -73.006 -32.552 1.00 75.81 ? 24 THR X N 1 ? ? +23925 ATOM C CA . THR R 17 23 ? -12.688 -72.901 -31.886 1.00 74.59 ? 24 THR X CA 1 ? ? +23926 ATOM C CB . THR R 17 23 ? -12.110 -71.489 -32.014 1.00 73.43 ? 24 THR X CB 1 ? ? +23927 ATOM O OG1 . THR R 17 23 ? -11.800 -71.223 -33.383 1.00 73.17 ? 24 THR X OG1 1 ? ? +23928 ATOM C CG2 . THR R 17 23 ? -10.860 -71.311 -31.190 1.00 73.05 ? 24 THR X CG2 1 ? ? +23929 ATOM C C . THR R 17 23 ? -12.832 -73.334 -30.429 1.00 74.51 ? 24 THR X C 1 ? ? +23930 ATOM O O . THR R 17 23 ? -12.189 -74.283 -29.995 1.00 74.48 ? 24 THR X O 1 ? ? +23931 ATOM N N . PHE R 17 24 ? -13.706 -72.652 -29.686 1.00 74.25 ? 25 PHE X N 1 ? ? +23932 ATOM C CA . PHE R 17 24 ? -13.860 -72.930 -28.269 1.00 74.54 ? 25 PHE X CA 1 ? ? +23933 ATOM C CB . PHE R 17 24 ? -14.696 -71.831 -27.594 1.00 74.47 ? 25 PHE X CB 1 ? ? +23934 ATOM C CG . PHE R 17 24 ? -13.817 -70.675 -27.158 1.00 73.69 ? 25 PHE X CG 1 ? ? +23935 ATOM C CD1 . PHE R 17 24 ? -13.042 -70.769 -26.017 1.00 73.57 ? 25 PHE X CD1 1 ? ? +23936 ATOM C CD2 . PHE R 17 24 ? -13.724 -69.518 -27.920 1.00 73.02 ? 25 PHE X CD2 1 ? ? +23937 ATOM C CE1 . PHE R 17 24 ? -12.226 -69.715 -25.623 1.00 72.83 ? 25 PHE X CE1 1 ? ? +23938 ATOM C CE2 . PHE R 17 24 ? -12.897 -68.474 -27.529 1.00 72.11 ? 25 PHE X CE2 1 ? ? +23939 ATOM C CZ . PHE R 17 24 ? -12.153 -68.577 -26.383 1.00 72.09 ? 25 PHE X CZ 1 ? ? +23940 ATOM C C . PHE R 17 24 ? -14.414 -74.327 -28.004 1.00 75.47 ? 25 PHE X C 1 ? ? +23941 ATOM O O . PHE R 17 24 ? -13.977 -74.980 -27.061 1.00 76.42 ? 25 PHE X O 1 ? ? +23942 ATOM N N . ALA R 17 25 ? -15.339 -74.796 -28.853 1.00 75.36 ? 26 ALA X N 1 ? ? +23943 ATOM C CA . ALA R 17 25 ? -15.871 -76.145 -28.725 1.00 75.74 ? 26 ALA X CA 1 ? ? +23944 ATOM C CB . ALA R 17 25 ? -16.928 -76.411 -29.787 1.00 76.18 ? 26 ALA X CB 1 ? ? +23945 ATOM C C . ALA R 17 25 ? -14.751 -77.180 -28.816 1.00 75.09 ? 26 ALA X C 1 ? ? +23946 ATOM O O . ALA R 17 25 ? -14.623 -78.042 -27.951 1.00 75.27 ? 26 ALA X O 1 ? ? +23947 ATOM N N . VAL R 17 26 ? -13.927 -77.073 -29.860 1.00 74.44 ? 27 VAL X N 1 ? ? +23948 ATOM C CA . VAL R 17 26 ? -12.824 -78.002 -30.047 1.00 74.61 ? 27 VAL X CA 1 ? ? +23949 ATOM C CB . VAL R 17 26 ? -12.089 -77.756 -31.390 1.00 74.34 ? 27 VAL X CB 1 ? ? +23950 ATOM C CG1 . VAL R 17 26 ? -10.867 -78.648 -31.514 1.00 74.47 ? 27 VAL X CG1 1 ? ? +23951 ATOM C CG2 . VAL R 17 26 ? -13.019 -77.990 -32.574 1.00 75.10 ? 27 VAL X CG2 1 ? ? +23952 ATOM C C . VAL R 17 26 ? -11.862 -77.958 -28.857 1.00 73.66 ? 27 VAL X C 1 ? ? +23953 ATOM O O . VAL R 17 26 ? -11.529 -78.999 -28.293 1.00 73.99 ? 27 VAL X O 1 ? ? +23954 ATOM N N . LEU R 17 27 ? -11.443 -76.745 -28.471 1.00 72.31 ? 28 LEU X N 1 ? ? +23955 ATOM C CA . LEU R 17 27 ? -10.516 -76.562 -27.364 1.00 71.57 ? 28 LEU X CA 1 ? ? +23956 ATOM C CB . LEU R 17 27 ? -10.176 -75.074 -27.179 1.00 70.63 ? 28 LEU X CB 1 ? ? +23957 ATOM C CG . LEU R 17 27 ? -9.293 -74.456 -28.248 1.00 69.83 ? 28 LEU X CG 1 ? ? +23958 ATOM C CD1 . LEU R 17 27 ? -8.861 -73.065 -27.842 1.00 68.98 ? 28 LEU X CD1 1 ? ? +23959 ATOM C CD2 . LEU R 17 27 ? -8.093 -75.338 -28.555 1.00 69.87 ? 28 LEU X CD2 1 ? ? +23960 ATOM C C . LEU R 17 27 ? -11.032 -77.118 -26.041 1.00 71.79 ? 28 LEU X C 1 ? ? +23961 ATOM O O . LEU R 17 27 ? -10.285 -77.774 -25.319 1.00 71.61 ? 28 LEU X O 1 ? ? +23962 ATOM N N . ILE R 17 28 ? -12.306 -76.854 -25.727 1.00 72.16 ? 29 ILE X N 1 ? ? +23963 ATOM C CA . ILE R 17 28 ? -12.913 -77.390 -24.518 1.00 72.67 ? 29 ILE X CA 1 ? ? +23964 ATOM C CB . ILE R 17 28 ? -14.336 -76.842 -24.255 1.00 72.85 ? 29 ILE X CB 1 ? ? +23965 ATOM C CG1 . ILE R 17 28 ? -14.298 -75.317 -23.999 1.00 72.34 ? 29 ILE X CG1 1 ? ? +23966 ATOM C CG2 . ILE R 17 28 ? -14.996 -77.564 -23.095 1.00 73.53 ? 29 ILE X CG2 1 ? ? +23967 ATOM C CD1 . ILE R 17 28 ? -15.675 -74.635 -24.085 1.00 72.69 ? 29 ILE X CD1 1 ? ? +23968 ATOM C C . ILE R 17 28 ? -12.890 -78.913 -24.586 1.00 73.44 ? 29 ILE X C 1 ? ? +23969 ATOM O O . ILE R 17 28 ? -12.548 -79.568 -23.603 1.00 73.86 ? 29 ILE X O 1 ? ? +23970 ATOM N N . ALA R 17 29 ? -13.224 -79.466 -25.758 1.00 73.85 ? 30 ALA X N 1 ? ? +23971 ATOM C CA . ALA R 17 29 ? -13.275 -80.909 -25.928 1.00 74.99 ? 30 ALA X CA 1 ? ? +23972 ATOM C CB . ALA R 17 29 ? -13.720 -81.271 -27.331 1.00 75.07 ? 30 ALA X CB 1 ? ? +23973 ATOM C C . ALA R 17 29 ? -11.915 -81.532 -25.628 1.00 75.44 ? 30 ALA X C 1 ? ? +23974 ATOM O O . ALA R 17 29 ? -11.824 -82.468 -24.837 1.00 76.56 ? 30 ALA X O 1 ? ? +23975 ATOM N N . ILE R 17 30 ? -10.870 -80.991 -26.266 1.00 74.85 ? 31 ILE X N 1 ? ? +23976 ATOM C CA . ILE R 17 30 ? -9.511 -81.487 -26.114 1.00 75.08 ? 31 ILE X CA 1 ? ? +23977 ATOM C CB . ILE R 17 30 ? -8.546 -80.762 -27.087 1.00 74.65 ? 31 ILE X CB 1 ? ? +23978 ATOM C CG1 . ILE R 17 30 ? -8.890 -81.089 -28.550 1.00 75.24 ? 31 ILE X CG1 1 ? ? +23979 ATOM C CG2 . ILE R 17 30 ? -7.078 -81.101 -26.790 1.00 74.16 ? 31 ILE X CG2 1 ? ? +23980 ATOM C CD1 . ILE R 17 30 ? -8.100 -80.262 -29.559 1.00 74.64 ? 31 ILE X CD1 1 ? ? +23981 ATOM C C . ILE R 17 30 ? -9.013 -81.354 -24.679 1.00 75.21 ? 31 ILE X C 1 ? ? +23982 ATOM O O . ILE R 17 30 ? -8.378 -82.266 -24.160 1.00 75.66 ? 31 ILE X O 1 ? ? +23983 ATOM N N . SER R 17 31 ? -9.283 -80.202 -24.057 1.00 75.02 ? 32 SER X N 1 ? ? +23984 ATOM C CA . SER R 17 31 ? -8.869 -79.952 -22.685 1.00 75.24 ? 32 SER X CA 1 ? ? +23985 ATOM C CB . SER R 17 31 ? -9.237 -78.532 -22.263 1.00 74.58 ? 32 SER X CB 1 ? ? +23986 ATOM O OG . SER R 17 31 ? -10.637 -78.381 -22.110 1.00 75.21 ? 32 SER X OG 1 ? ? +23987 ATOM C C . SER R 17 31 ? -9.462 -80.957 -21.700 1.00 76.44 ? 32 SER X C 1 ? ? +23988 ATOM O O . SER R 17 31 ? -8.828 -81.312 -20.708 1.00 76.29 ? 32 SER X O 1 ? ? +23989 ATOM N N . GLN R 17 32 ? -10.682 -81.415 -21.995 1.00 77.98 ? 33 GLN X N 1 ? ? +23990 ATOM C CA . GLN R 17 32 ? -11.353 -82.408 -21.175 1.00 79.82 ? 33 GLN X CA 1 ? ? +23991 ATOM C CB . GLN R 17 32 ? -12.861 -82.406 -21.486 1.00 80.37 ? 33 GLN X CB 1 ? ? +23992 ATOM C CG . GLN R 17 32 ? -13.566 -81.118 -21.046 1.00 79.91 ? 33 GLN X CG 1 ? ? +23993 ATOM C CD . GLN R 17 32 ? -13.856 -81.068 -19.565 1.00 80.53 ? 33 GLN X CD 1 ? ? +23994 ATOM O OE1 . GLN R 17 32 ? -13.970 -82.082 -18.876 1.00 81.57 ? 33 GLN X OE1 1 ? ? +23995 ATOM N NE2 . GLN R 17 32 ? -14.032 -79.873 -19.038 1.00 80.17 ? 33 GLN X NE2 1 ? ? +23996 ATOM C C . GLN R 17 32 ? -10.752 -83.803 -21.363 1.00 81.16 ? 33 GLN X C 1 ? ? +23997 ATOM O O . GLN R 17 32 ? -10.631 -84.556 -20.401 1.00 82.09 ? 33 GLN X O 1 ? ? +23998 ATOM N N . ILE R 17 33 ? -10.377 -84.145 -22.600 1.00 81.53 ? 34 ILE X N 1 ? ? +23999 ATOM C CA . ILE R 17 33 ? -9.776 -85.438 -22.884 1.00 82.76 ? 34 ILE X CA 1 ? ? +24000 ATOM C CB . ILE R 17 33 ? -9.723 -85.708 -24.399 1.00 82.76 ? 34 ILE X CB 1 ? ? +24001 ATOM C CG1 . ILE R 17 33 ? -11.160 -85.883 -24.952 1.00 83.61 ? 34 ILE X CG1 1 ? ? +24002 ATOM C CG2 . ILE R 17 33 ? -8.815 -86.921 -24.714 1.00 83.14 ? 34 ILE X CG2 1 ? ? +24003 ATOM C CD1 . ILE R 17 33 ? -11.265 -86.336 -26.398 1.00 83.84 ? 34 ILE X CD1 1 ? ? +24004 ATOM C C . ILE R 17 33 ? -8.383 -85.549 -22.275 1.00 83.20 ? 34 ILE X C 1 ? ? +24005 ATOM O O . ILE R 17 33 ? -8.095 -86.498 -21.549 1.00 84.34 ? 34 ILE X O 1 ? ? +24006 ATOM N N . ASP R 17 34 ? -7.526 -84.574 -22.599 1.00 83.05 ? 35 ASP X N 1 ? ? +24007 ATOM C CA . ASP R 17 34 ? -6.111 -84.634 -22.269 1.00 82.67 ? 35 ASP X CA 1 ? ? +24008 ATOM C CB . ASP R 17 34 ? -5.281 -84.170 -23.477 1.00 81.83 ? 35 ASP X CB 1 ? ? +24009 ATOM C CG . ASP R 17 34 ? -3.779 -84.300 -23.322 1.00 81.86 ? 35 ASP X CG 1 ? ? +24010 ATOM O OD1 . ASP R 17 34 ? -3.335 -85.018 -22.398 1.00 82.40 ? 35 ASP X OD1 1 ? ? +24011 ATOM O OD2 . ASP R 17 34 ? -3.040 -83.664 -24.119 1.00 81.37 ? 35 ASP X OD2 1 ? ? +24012 ATOM C C . ASP R 17 34 ? -5.799 -83.792 -21.034 1.00 82.48 ? 35 ASP X C 1 ? ? +24013 ATOM O O . ASP R 17 34 ? -5.072 -82.807 -21.126 1.00 81.31 ? 35 ASP X O 1 ? ? +24014 ATOM N N . LYS R 17 35 ? -6.334 -84.205 -19.876 1.00 83.68 ? 36 LYS X N 1 ? ? +24015 ATOM C CA . LYS R 17 35 ? -6.124 -83.478 -18.631 1.00 83.99 ? 36 LYS X CA 1 ? ? +24016 ATOM C CB . LYS R 17 35 ? -7.089 -83.953 -17.550 1.00 84.66 ? 36 LYS X CB 1 ? ? +24017 ATOM C CG . LYS R 17 35 ? -8.546 -83.741 -17.903 1.00 85.27 ? 36 LYS X CG 1 ? ? +24018 ATOM C CD . LYS R 17 35 ? -9.409 -83.828 -16.682 1.00 86.30 ? 36 LYS X CD 1 ? ? +24019 ATOM C CE . LYS R 17 35 ? -10.869 -83.812 -16.998 1.00 87.02 ? 36 LYS X CE 1 ? ? +24020 ATOM N NZ . LYS R 17 35 ? -11.286 -85.062 -17.687 1.00 88.34 ? 36 LYS X NZ 1 ? ? +24021 ATOM C C . LYS R 17 35 ? -4.698 -83.611 -18.098 1.00 84.74 ? 36 LYS X C 1 ? ? +24022 ATOM O O . LYS R 17 35 ? -3.968 -84.532 -18.457 1.00 86.14 ? 36 LYS X O 1 ? ? +24023 ATOM N N . VAL R 17 36 ? -4.307 -82.667 -17.239 1.00 85.04 ? 37 VAL X N 1 ? ? +24024 ATOM C CA . VAL R 17 36 ? -3.003 -82.696 -16.596 1.00 85.67 ? 37 VAL X CA 1 ? ? +24025 ATOM C CB . VAL R 17 36 ? -2.483 -81.265 -16.309 1.00 84.77 ? 37 VAL X CB 1 ? ? +24026 ATOM C CG1 . VAL R 17 36 ? -1.055 -81.298 -15.800 1.00 85.19 ? 37 VAL X CG1 1 ? ? +24027 ATOM C CG2 . VAL R 17 36 ? -2.587 -80.376 -17.544 1.00 83.75 ? 37 VAL X CG2 1 ? ? +24028 ATOM C C . VAL R 17 36 ? -3.122 -83.519 -15.316 1.00 87.49 ? 37 VAL X C 1 ? ? +24029 ATOM O O . VAL R 17 36 ? -4.153 -83.471 -14.646 1.00 87.77 ? 37 VAL X O 1 ? ? +24030 ATOM N N . GLN R 17 37 ? -2.057 -84.255 -14.976 1.00 88.96 ? 38 GLN X N 1 ? ? +24031 ATOM C CA . GLN R 17 37 ? -2.007 -85.020 -13.738 1.00 90.53 ? 38 GLN X CA 1 ? ? +24032 ATOM C CB . GLN R 17 37 ? -1.061 -86.234 -13.878 1.00 92.74 ? 38 GLN X CB 1 ? ? +24033 ATOM C CG . GLN R 17 37 ? -1.278 -87.116 -15.123 1.00 94.21 ? 38 GLN X CG 1 ? ? +24034 ATOM C CD . GLN R 17 37 ? -2.649 -87.762 -15.174 1.00 95.89 ? 38 GLN X CD 1 ? ? +24035 ATOM O OE1 . GLN R 17 37 ? -2.813 -88.937 -14.844 1.00 97.24 ? 38 GLN X OE1 1 ? ? +24036 ATOM N NE2 . GLN R 17 37 ? -3.665 -86.998 -15.578 1.00 95.65 ? 38 GLN X NE2 1 ? ? +24037 ATOM C C . GLN R 17 37 ? -1.545 -84.146 -12.571 1.00 89.40 ? 38 GLN X C 1 ? ? +24038 ATOM O O . GLN R 17 37 ? -0.613 -83.362 -12.715 1.00 88.81 ? 38 GLN X O 1 ? ? +24039 ATOM N N . ARG R 17 38 ? -2.224 -84.281 -11.426 1.00 89.91 ? 39 ARG X N 1 ? ? +24040 ATOM C CA . ARG R 17 38 ? -1.786 -83.696 -10.167 1.00 90.13 ? 39 ARG X CA 1 ? ? +24041 ATOM C CB . ARG R 17 38 ? -2.606 -82.449 -9.797 1.00 89.03 ? 39 ARG X CB 1 ? ? +24042 ATOM C CG . ARG R 17 38 ? -2.397 -81.234 -10.664 1.00 87.49 ? 39 ARG X CG 1 ? ? +24043 ATOM C CD . ARG R 17 38 ? -3.110 -80.023 -10.036 1.00 86.92 ? 39 ARG X CD 1 ? ? +24044 ATOM N NE . ARG R 17 38 ? -3.006 -78.801 -10.829 1.00 85.83 ? 39 ARG X NE 1 ? ? +24045 ATOM C CZ . ARG R 17 38 ? -3.709 -78.536 -11.924 1.00 85.09 ? 39 ARG X CZ 1 ? ? +24046 ATOM N NH1 . ARG R 17 38 ? -4.744 -79.278 -12.279 1.00 85.74 ? 39 ARG X NH1 1 ? ? +24047 ATOM N NH2 . ARG R 17 38 ? -3.371 -77.493 -12.676 1.00 84.21 ? 39 ARG X NH2 1 ? ? +24048 ATOM C C . ARG R 17 38 ? -1.924 -84.727 -9.024 1.00 92.82 ? 39 ARG X C 1 ? ? +24049 ATOM O O . ARG R 17 38 ? -1.712 -84.385 -7.855 1.00 94.10 ? 39 ARG X O 1 ? ? +24050 ATOM O OXT . ARG R 17 38 ? -2.270 -85.889 -9.262 1.00 94.34 ? 39 ARG X OXT 1 ? ? +24051 ATOM N N . VAL S 18 1 ? 21.686 -79.059 -73.915 1.00 118.72 ? 18 VAL Y N 1 ? ? +24052 ATOM C CA . VAL S 18 1 ? 20.883 -78.540 -72.802 1.00 119.22 ? 18 VAL Y CA 1 ? ? +24053 ATOM C CB . VAL S 18 1 ? 19.605 -77.825 -73.306 1.00 120.83 ? 18 VAL Y CB 1 ? ? +24054 ATOM C CG1 . VAL S 18 1 ? 18.987 -76.966 -72.208 1.00 118.49 ? 18 VAL Y CG1 1 ? ? +24055 ATOM C CG2 . VAL S 18 1 ? 19.888 -76.991 -74.555 1.00 121.00 ? 18 VAL Y CG2 1 ? ? +24056 ATOM C C . VAL S 18 1 ? 20.541 -79.658 -71.815 1.00 117.64 ? 18 VAL Y C 1 ? ? +24057 ATOM O O . VAL S 18 1 ? 20.702 -79.487 -70.609 1.00 116.53 ? 18 VAL Y O 1 ? ? +24058 ATOM N N . ILE S 18 2 ? 20.047 -80.789 -72.339 1.00 115.69 ? 19 ILE Y N 1 ? ? +24059 ATOM C CA . ILE S 18 2 ? 19.988 -82.040 -71.596 1.00 114.32 ? 19 ILE Y CA 1 ? ? +24060 ATOM C CB . ILE S 18 2 ? 19.264 -83.167 -72.416 1.00 113.25 ? 19 ILE Y CB 1 ? ? +24061 ATOM C CG1 . ILE S 18 2 ? 17.742 -82.935 -72.526 1.00 112.43 ? 19 ILE Y CG1 1 ? ? +24062 ATOM C CG2 . ILE S 18 2 ? 19.566 -84.563 -71.855 1.00 112.04 ? 19 ILE Y CG2 1 ? ? +24063 ATOM C CD1 . ILE S 18 2 ? 16.977 -82.937 -71.206 1.00 112.10 ? 19 ILE Y CD1 1 ? ? +24064 ATOM C C . ILE S 18 2 ? 21.404 -82.477 -71.223 1.00 113.46 ? 19 ILE Y C 1 ? ? +24065 ATOM O O . ILE S 18 2 ? 21.632 -83.016 -70.139 1.00 112.19 ? 19 ILE Y O 1 ? ? +24066 ATOM N N . ALA S 18 3 ? 22.340 -82.255 -72.158 1.00 111.68 ? 20 ALA Y N 1 ? ? +24067 ATOM C CA . ALA S 18 3 ? 23.748 -82.546 -71.956 1.00 110.23 ? 20 ALA Y CA 1 ? ? +24068 ATOM C CB . ALA S 18 3 ? 24.543 -82.167 -73.198 1.00 109.99 ? 20 ALA Y CB 1 ? ? +24069 ATOM C C . ALA S 18 3 ? 24.277 -81.815 -70.725 1.00 108.89 ? 20 ALA Y C 1 ? ? +24070 ATOM O O . ALA S 18 3 ? 24.858 -82.448 -69.848 1.00 111.25 ? 20 ALA Y O 1 ? ? +24071 ATOM N N . GLN S 18 4 ? 24.051 -80.493 -70.661 1.00 104.64 ? 21 GLN Y N 1 ? ? +24072 ATOM C CA . GLN S 18 4 ? 24.531 -79.675 -69.553 1.00 102.34 ? 21 GLN Y CA 1 ? ? +24073 ATOM C CB . GLN S 18 4 ? 24.117 -78.197 -69.737 1.00 100.10 ? 21 GLN Y CB 1 ? ? +24074 ATOM C CG . GLN S 18 4 ? 24.764 -77.507 -70.943 1.00 98.19 ? 21 GLN Y CG 1 ? ? +24075 ATOM C CD . GLN S 18 4 ? 24.193 -76.122 -71.206 1.00 95.50 ? 21 GLN Y CD 1 ? ? +24076 ATOM O OE1 . GLN S 18 4 ? 22.983 -75.900 -71.119 1.00 93.16 ? 21 GLN Y OE1 1 ? ? +24077 ATOM N NE2 . GLN S 18 4 ? 25.041 -75.155 -71.539 1.00 93.89 ? 21 GLN Y NE2 1 ? ? +24078 ATOM C C . GLN S 18 4 ? 24.036 -80.180 -68.195 1.00 101.81 ? 21 GLN Y C 1 ? ? +24079 ATOM O O . GLN S 18 4 ? 24.834 -80.290 -67.258 1.00 101.34 ? 21 GLN Y O 1 ? ? +24080 ATOM N N . LEU S 18 5 ? 22.729 -80.493 -68.113 1.00 99.04 ? 22 LEU Y N 1 ? ? +24081 ATOM C CA . LEU S 18 5 ? 22.104 -80.966 -66.884 1.00 96.85 ? 22 LEU Y CA 1 ? ? +24082 ATOM C CB . LEU S 18 5 ? 20.562 -80.931 -66.996 1.00 97.07 ? 22 LEU Y CB 1 ? ? +24083 ATOM C CG . LEU S 18 5 ? 19.889 -79.553 -66.968 1.00 97.14 ? 22 LEU Y CG 1 ? ? +24084 ATOM C CD1 . LEU S 18 5 ? 19.725 -78.974 -68.339 1.00 97.19 ? 22 LEU Y CD1 1 ? ? +24085 ATOM C CD2 . LEU S 18 5 ? 18.535 -79.628 -66.295 1.00 97.21 ? 22 LEU Y CD2 1 ? ? +24086 ATOM C C . LEU S 18 5 ? 22.538 -82.384 -66.506 1.00 95.28 ? 22 LEU Y C 1 ? ? +24087 ATOM O O . LEU S 18 5 ? 22.564 -82.721 -65.325 1.00 93.28 ? 22 LEU Y O 1 ? ? +24088 ATOM N N . THR S 18 6 ? 22.849 -83.212 -67.512 1.00 95.62 ? 23 THR Y N 1 ? ? +24089 ATOM C CA . THR S 18 6 ? 23.441 -84.521 -67.275 1.00 97.26 ? 23 THR Y CA 1 ? ? +24090 ATOM C CB . THR S 18 6 ? 23.464 -85.359 -68.566 1.00 97.70 ? 23 THR Y CB 1 ? ? +24091 ATOM O OG1 . THR S 18 6 ? 22.151 -85.378 -69.114 1.00 98.34 ? 23 THR Y OG1 1 ? ? +24092 ATOM C CG2 . THR S 18 6 ? 23.952 -86.791 -68.338 1.00 98.11 ? 23 THR Y CG2 1 ? ? +24093 ATOM C C . THR S 18 6 ? 24.855 -84.394 -66.707 1.00 97.11 ? 23 THR Y C 1 ? ? +24094 ATOM O O . THR S 18 6 ? 25.188 -85.078 -65.740 1.00 97.85 ? 23 THR Y O 1 ? ? +24095 ATOM N N . MET S 18 7 ? 25.667 -83.516 -67.319 1.00 95.51 ? 24 MET Y N 1 ? ? +24096 ATOM C CA . MET S 18 7 ? 27.060 -83.343 -66.943 1.00 95.09 ? 24 MET Y CA 1 ? ? +24097 ATOM C CB . MET S 18 7 ? 27.766 -82.318 -67.863 1.00 96.43 ? 24 MET Y CB 1 ? ? +24098 ATOM C CG . MET S 18 7 ? 27.923 -82.743 -69.326 1.00 97.83 ? 24 MET Y CG 1 ? ? +24099 ATOM S SD . MET S 18 7 ? 28.745 -84.326 -69.614 1.00 101.21 ? 24 MET Y SD 1 ? ? +24100 ATOM C CE . MET S 18 7 ? 27.288 -85.385 -69.729 1.00 102.71 ? 24 MET Y CE 1 ? ? +24101 ATOM C C . MET S 18 7 ? 27.164 -82.865 -65.497 1.00 92.99 ? 24 MET Y C 1 ? ? +24102 ATOM O O . MET S 18 7 ? 27.913 -83.438 -64.705 1.00 91.70 ? 24 MET Y O 1 ? ? +24103 ATOM N N . ILE S 18 8 ? 26.407 -81.810 -65.163 1.00 91.05 ? 25 ILE Y N 1 ? ? +24104 ATOM C CA . ILE S 18 8 ? 26.475 -81.232 -63.831 1.00 91.09 ? 25 ILE Y CA 1 ? ? +24105 ATOM C CB . ILE S 18 8 ? 25.763 -79.840 -63.753 1.00 91.57 ? 25 ILE Y CB 1 ? ? +24106 ATOM C CG1 . ILE S 18 8 ? 26.058 -79.118 -62.401 1.00 90.99 ? 25 ILE Y CG1 1 ? ? +24107 ATOM C CG2 . ILE S 18 8 ? 24.251 -79.940 -64.000 1.00 90.87 ? 25 ILE Y CG2 1 ? ? +24108 ATOM C CD1 . ILE S 18 8 ? 27.571 -78.806 -62.099 1.00 90.04 ? 25 ILE Y CD1 1 ? ? +24109 ATOM C C . ILE S 18 8 ? 25.951 -82.217 -62.784 1.00 90.92 ? 25 ILE Y C 1 ? ? +24110 ATOM O O . ILE S 18 8 ? 26.457 -82.243 -61.664 1.00 91.65 ? 25 ILE Y O 1 ? ? +24111 ATOM N N . ALA S 18 9 ? 24.954 -83.032 -63.153 1.00 89.87 ? 26 ALA Y N 1 ? ? +24112 ATOM C CA . ALA S 18 9 ? 24.450 -84.077 -62.270 1.00 88.16 ? 26 ALA Y CA 1 ? ? +24113 ATOM C CB . ALA S 18 9 ? 23.223 -84.747 -62.874 1.00 88.40 ? 26 ALA Y CB 1 ? ? +24114 ATOM C C . ALA S 18 9 ? 25.524 -85.120 -61.961 1.00 86.88 ? 26 ALA Y C 1 ? ? +24115 ATOM O O . ALA S 18 9 ? 25.694 -85.510 -60.810 1.00 86.38 ? 26 ALA Y O 1 ? ? +24116 ATOM N N . MET S 18 10 ? 26.253 -85.561 -62.994 1.00 86.63 ? 27 MET Y N 1 ? ? +24117 ATOM C CA . MET S 18 10 ? 27.312 -86.546 -62.829 1.00 87.17 ? 27 MET Y CA 1 ? ? +24118 ATOM C CB . MET S 18 10 ? 27.780 -87.057 -64.197 1.00 89.43 ? 27 MET Y CB 1 ? ? +24119 ATOM C CG . MET S 18 10 ? 26.781 -88.032 -64.816 1.00 91.37 ? 27 MET Y CG 1 ? ? +24120 ATOM S SD . MET S 18 10 ? 27.393 -88.896 -66.283 1.00 95.02 ? 27 MET Y SD 1 ? ? +24121 ATOM C CE . MET S 18 10 ? 27.801 -87.534 -67.353 1.00 94.13 ? 27 MET Y CE 1 ? ? +24122 ATOM C C . MET S 18 10 ? 28.493 -85.980 -62.043 1.00 85.50 ? 27 MET Y C 1 ? ? +24123 ATOM O O . MET S 18 10 ? 29.031 -86.649 -61.166 1.00 85.67 ? 27 MET Y O 1 ? ? +24124 ATOM N N . ILE S 18 11 ? 28.894 -84.747 -62.371 1.00 83.69 ? 28 ILE Y N 1 ? ? +24125 ATOM C CA . ILE S 18 11 ? 29.948 -84.053 -61.641 1.00 81.59 ? 28 ILE Y CA 1 ? ? +24126 ATOM C CB . ILE S 18 11 ? 30.379 -82.774 -62.412 1.00 80.59 ? 28 ILE Y CB 1 ? ? +24127 ATOM C CG1 . ILE S 18 11 ? 31.006 -83.133 -63.771 1.00 80.53 ? 28 ILE Y CG1 1 ? ? +24128 ATOM C CG2 . ILE S 18 11 ? 31.323 -81.917 -61.595 1.00 80.70 ? 28 ILE Y CG2 1 ? ? +24129 ATOM C CD1 . ILE S 18 11 ? 31.159 -81.955 -64.716 1.00 79.82 ? 28 ILE Y CD1 1 ? ? +24130 ATOM C C . ILE S 18 11 ? 29.488 -83.746 -60.216 1.00 79.55 ? 28 ILE Y C 1 ? ? +24131 ATOM O O . ILE S 18 11 ? 30.253 -83.892 -59.266 1.00 77.79 ? 28 ILE Y O 1 ? ? +24132 ATOM N N . GLY S 18 12 ? 28.223 -83.334 -60.083 1.00 78.61 ? 29 GLY Y N 1 ? ? +24133 ATOM C CA . GLY S 18 12 ? 27.645 -82.980 -58.797 1.00 78.17 ? 29 GLY Y CA 1 ? ? +24134 ATOM C C . GLY S 18 12 ? 27.544 -84.140 -57.809 1.00 78.91 ? 29 GLY Y C 1 ? ? +24135 ATOM O O . GLY S 18 12 ? 27.583 -83.914 -56.603 1.00 80.06 ? 29 GLY Y O 1 ? ? +24136 ATOM N N . ILE S 18 13 ? 27.411 -85.370 -58.322 1.00 78.80 ? 30 ILE Y N 1 ? ? +24137 ATOM C CA . ILE S 18 13 ? 27.254 -86.546 -57.481 1.00 78.41 ? 30 ILE Y CA 1 ? ? +24138 ATOM C CB . ILE S 18 13 ? 26.375 -87.628 -58.211 1.00 79.78 ? 30 ILE Y CB 1 ? ? +24139 ATOM C CG1 . ILE S 18 13 ? 25.681 -88.608 -57.235 1.00 80.51 ? 30 ILE Y CG1 1 ? ? +24140 ATOM C CG2 . ILE S 18 13 ? 27.182 -88.439 -59.244 1.00 80.42 ? 30 ILE Y CG2 1 ? ? +24141 ATOM C CD1 . ILE S 18 13 ? 24.617 -88.016 -56.327 1.00 80.21 ? 30 ILE Y CD1 1 ? ? +24142 ATOM C C . ILE S 18 13 ? 28.612 -87.107 -57.059 1.00 77.24 ? 30 ILE Y C 1 ? ? +24143 ATOM O O . ILE S 18 13 ? 28.719 -87.736 -56.012 1.00 76.62 ? 30 ILE Y O 1 ? ? +24144 ATOM N N . ALA S 18 14 ? 29.645 -86.879 -57.878 1.00 76.42 ? 31 ALA Y N 1 ? ? +24145 ATOM C CA . ALA S 18 14 ? 30.964 -87.440 -57.629 1.00 76.18 ? 31 ALA Y CA 1 ? ? +24146 ATOM C CB . ALA S 18 14 ? 31.953 -86.910 -58.652 1.00 76.29 ? 31 ALA Y CB 1 ? ? +24147 ATOM C C . ALA S 18 14 ? 31.476 -87.161 -56.214 1.00 75.46 ? 31 ALA Y C 1 ? ? +24148 ATOM O O . ALA S 18 14 ? 32.024 -88.050 -55.567 1.00 75.96 ? 31 ALA Y O 1 ? ? +24149 ATOM N N . GLY S 18 15 ? 31.292 -85.920 -55.747 1.00 74.12 ? 32 GLY Y N 1 ? ? +24150 ATOM C CA . GLY S 18 15 ? 31.725 -85.510 -54.422 1.00 73.19 ? 32 GLY Y CA 1 ? ? +24151 ATOM C C . GLY S 18 15 ? 31.088 -86.314 -53.292 1.00 73.21 ? 32 GLY Y C 1 ? ? +24152 ATOM O O . GLY S 18 15 ? 31.799 -86.994 -52.559 1.00 73.18 ? 32 GLY Y O 1 ? ? +24153 ATOM N N . PRO S 18 16 ? 29.743 -86.254 -53.108 1.00 73.17 ? 33 PRO Y N 1 ? ? +24154 ATOM C CA . PRO S 18 16 ? 29.059 -87.058 -52.091 1.00 73.87 ? 33 PRO Y CA 1 ? ? +24155 ATOM C CB . PRO S 18 16 ? 27.577 -86.736 -52.329 1.00 73.20 ? 33 PRO Y CB 1 ? ? +24156 ATOM C CG . PRO S 18 16 ? 27.572 -85.411 -52.979 1.00 72.37 ? 33 PRO Y CG 1 ? ? +24157 ATOM C CD . PRO S 18 16 ? 28.813 -85.374 -53.836 1.00 72.61 ? 33 PRO Y CD 1 ? ? +24158 ATOM C C . PRO S 18 16 ? 29.320 -88.560 -52.202 1.00 75.61 ? 33 PRO Y C 1 ? ? +24159 ATOM O O . PRO S 18 16 ? 29.391 -89.263 -51.193 1.00 75.88 ? 33 PRO Y O 1 ? ? +24160 ATOM N N . MET S 18 17 ? 29.457 -89.036 -53.444 1.00 77.06 ? 34 MET Y N 1 ? ? +24161 ATOM C CA . MET S 18 17 ? 29.716 -90.439 -53.717 1.00 78.77 ? 34 MET Y CA 1 ? ? +24162 ATOM C CB . MET S 18 17 ? 29.754 -90.691 -55.235 1.00 81.30 ? 34 MET Y CB 1 ? ? +24163 ATOM C CG . MET S 18 17 ? 29.620 -92.163 -55.602 1.00 84.26 ? 34 MET Y CG 1 ? ? +24164 ATOM S SD . MET S 18 17 ? 28.052 -92.895 -54.942 1.00 89.09 ? 34 MET Y SD 1 ? ? +24165 ATOM C CE . MET S 18 17 ? 26.779 -92.011 -55.942 1.00 87.40 ? 34 MET Y CE 1 ? ? +24166 ATOM C C . MET S 18 17 ? 31.031 -90.878 -53.078 1.00 77.77 ? 34 MET Y C 1 ? ? +24167 ATOM O O . MET S 18 17 ? 31.115 -91.978 -52.542 1.00 77.71 ? 34 MET Y O 1 ? ? +24168 ATOM N N . ILE S 18 18 ? 32.049 -90.010 -53.136 1.00 76.30 ? 35 ILE Y N 1 ? ? +24169 ATOM C CA . ILE S 18 18 ? 33.327 -90.291 -52.500 1.00 76.21 ? 35 ILE Y CA 1 ? ? +24170 ATOM C CB . ILE S 18 18 ? 34.395 -89.204 -52.808 1.00 75.93 ? 35 ILE Y CB 1 ? ? +24171 ATOM C CG1 . ILE S 18 18 ? 34.688 -89.115 -54.313 1.00 76.09 ? 35 ILE Y CG1 1 ? ? +24172 ATOM C CG2 . ILE S 18 18 ? 35.698 -89.446 -52.034 1.00 76.26 ? 35 ILE Y CG2 1 ? ? +24173 ATOM C CD1 . ILE S 18 18 ? 35.445 -87.875 -54.721 1.00 75.50 ? 35 ILE Y CD1 1 ? ? +24174 ATOM C C . ILE S 18 18 ? 33.116 -90.467 -50.997 1.00 75.60 ? 35 ILE Y C 1 ? ? +24175 ATOM O O . ILE S 18 18 ? 33.560 -91.457 -50.420 1.00 76.05 ? 35 ILE Y O 1 ? ? +24176 ATOM N N . ILE S 18 19 ? 32.416 -89.516 -50.372 1.00 74.35 ? 36 ILE Y N 1 ? ? +24177 ATOM C CA . ILE S 18 19 ? 32.187 -89.570 -48.936 1.00 74.01 ? 36 ILE Y CA 1 ? ? +24178 ATOM C CB . ILE S 18 19 ? 31.492 -88.287 -48.419 1.00 72.80 ? 36 ILE Y CB 1 ? ? +24179 ATOM C CG1 . ILE S 18 19 ? 32.316 -87.026 -48.749 1.00 72.09 ? 36 ILE Y CG1 1 ? ? +24180 ATOM C CG2 . ILE S 18 19 ? 31.197 -88.385 -46.925 1.00 72.66 ? 36 ILE Y CG2 1 ? ? +24181 ATOM C CD1 . ILE S 18 19 ? 33.842 -87.154 -48.424 1.00 72.44 ? 36 ILE Y CD1 1 ? ? +24182 ATOM C C . ILE S 18 19 ? 31.398 -90.823 -48.569 1.00 74.92 ? 36 ILE Y C 1 ? ? +24183 ATOM O O . ILE S 18 19 ? 31.689 -91.465 -47.561 1.00 75.12 ? 36 ILE Y O 1 ? ? +24184 ATOM N N . PHE S 18 20 ? 30.409 -91.160 -49.406 1.00 75.81 ? 37 PHE Y N 1 ? ? +24185 ATOM C CA . PHE S 18 20 ? 29.553 -92.316 -49.190 1.00 76.82 ? 37 PHE Y CA 1 ? ? +24186 ATOM C CB . PHE S 18 20 ? 28.389 -92.316 -50.203 1.00 76.97 ? 37 PHE Y CB 1 ? ? +24187 ATOM C CG . PHE S 18 20 ? 27.408 -93.449 -50.008 1.00 78.07 ? 37 PHE Y CG 1 ? ? +24188 ATOM C CD1 . PHE S 18 20 ? 26.539 -93.459 -48.925 1.00 78.22 ? 37 PHE Y CD1 1 ? ? +24189 ATOM C CD2 . PHE S 18 20 ? 27.365 -94.515 -50.897 1.00 79.05 ? 37 PHE Y CD2 1 ? ? +24190 ATOM C CE1 . PHE S 18 20 ? 25.654 -94.513 -48.733 1.00 78.93 ? 37 PHE Y CE1 1 ? ? +24191 ATOM C CE2 . PHE S 18 20 ? 26.470 -95.562 -50.705 1.00 79.78 ? 37 PHE Y CE2 1 ? ? +24192 ATOM C CZ . PHE S 18 20 ? 25.615 -95.549 -49.630 1.00 79.79 ? 37 PHE Y CZ 1 ? ? +24193 ATOM C C . PHE S 18 20 ? 30.331 -93.628 -49.286 1.00 77.75 ? 37 PHE Y C 1 ? ? +24194 ATOM O O . PHE S 18 20 ? 30.154 -94.515 -48.458 1.00 77.91 ? 37 PHE Y O 1 ? ? +24195 ATOM N N . LEU S 18 21 ? 31.189 -93.742 -50.305 1.00 78.49 ? 38 LEU Y N 1 ? ? +24196 ATOM C CA . LEU S 18 21 ? 32.029 -94.918 -50.477 1.00 79.67 ? 38 LEU Y CA 1 ? ? +24197 ATOM C CB . LEU S 18 21 ? 32.878 -94.826 -51.763 1.00 80.03 ? 38 LEU Y CB 1 ? ? +24198 ATOM C CG . LEU S 18 21 ? 32.159 -95.068 -53.110 1.00 80.37 ? 38 LEU Y CG 1 ? ? +24199 ATOM C CD1 . LEU S 18 21 ? 33.168 -95.391 -54.206 1.00 81.00 ? 38 LEU Y CD1 1 ? ? +24200 ATOM C CD2 . LEU S 18 21 ? 31.123 -96.215 -53.044 1.00 80.83 ? 38 LEU Y CD2 1 ? ? +24201 ATOM C C . LEU S 18 21 ? 32.950 -95.133 -49.281 1.00 79.98 ? 38 LEU Y C 1 ? ? +24202 ATOM O O . LEU S 18 21 ? 33.149 -96.266 -48.864 1.00 80.72 ? 38 LEU Y O 1 ? ? +24203 ATOM N N . LEU S 18 22 ? 33.510 -94.047 -48.742 1.00 80.21 ? 39 LEU Y N 1 ? ? +24204 ATOM C CA . LEU S 18 22 ? 34.386 -94.144 -47.585 1.00 81.50 ? 39 LEU Y CA 1 ? ? +24205 ATOM C CB . LEU S 18 22 ? 35.182 -92.838 -47.376 1.00 80.58 ? 39 LEU Y CB 1 ? ? +24206 ATOM C CG . LEU S 18 22 ? 36.467 -92.649 -48.158 1.00 80.27 ? 39 LEU Y CG 1 ? ? +24207 ATOM C CD1 . LEU S 18 22 ? 37.382 -93.848 -48.026 1.00 81.23 ? 39 LEU Y CD1 1 ? ? +24208 ATOM C CD2 . LEU S 18 22 ? 36.196 -92.368 -49.570 1.00 80.16 ? 39 LEU Y CD2 1 ? ? +24209 ATOM C C . LEU S 18 22 ? 33.604 -94.481 -46.313 1.00 82.63 ? 39 LEU Y C 1 ? ? +24210 ATOM O O . LEU S 18 22 ? 34.096 -95.209 -45.454 1.00 83.50 ? 39 LEU Y O 1 ? ? +24211 ATOM N N . ALA S 18 23 ? 32.387 -93.940 -46.196 1.00 83.35 ? 40 ALA Y N 1 ? ? +24212 ATOM C CA . ALA S 18 23 ? 31.525 -94.235 -45.063 1.00 84.54 ? 40 ALA Y CA 1 ? ? +24213 ATOM C CB . ALA S 18 23 ? 30.286 -93.359 -45.110 1.00 84.00 ? 40 ALA Y CB 1 ? ? +24214 ATOM C C . ALA S 18 23 ? 31.132 -95.712 -45.008 1.00 86.62 ? 40 ALA Y C 1 ? ? +24215 ATOM O O . ALA S 18 23 ? 31.177 -96.323 -43.946 1.00 87.83 ? 40 ALA Y O 1 ? ? +24216 ATOM N N . VAL S 18 24 ? 30.760 -96.282 -46.161 1.00 87.90 ? 41 VAL Y N 1 ? ? +24217 ATOM C CA . VAL S 18 24 ? 30.393 -97.689 -46.254 1.00 89.67 ? 41 VAL Y CA 1 ? ? +24218 ATOM C CB . VAL S 18 24 ? 29.765 -97.986 -47.642 1.00 89.75 ? 41 VAL Y CB 1 ? ? +24219 ATOM C CG1 . VAL S 18 24 ? 29.929 -99.448 -48.074 1.00 90.79 ? 41 VAL Y CG1 1 ? ? +24220 ATOM C CG2 . VAL S 18 24 ? 28.293 -97.564 -47.661 1.00 89.24 ? 41 VAL Y CG2 1 ? ? +24221 ATOM C C . VAL S 18 24 ? 31.558 -98.627 -45.942 1.00 92.01 ? 41 VAL Y C 1 ? ? +24222 ATOM O O . VAL S 18 24 ? 31.380 -99.576 -45.193 1.00 92.68 ? 41 VAL Y O 1 ? ? +24223 ATOM N N . ARG S 18 25 ? 32.727 -98.359 -46.537 1.00 94.36 ? 42 ARG Y N 1 ? ? +24224 ATOM C CA . ARG S 18 25 ? 33.953 -99.112 -46.307 1.00 96.44 ? 42 ARG Y CA 1 ? ? +24225 ATOM C CB . ARG S 18 25 ? 34.948 -98.835 -47.462 1.00 98.09 ? 42 ARG Y CB 1 ? ? +24226 ATOM C CG . ARG S 18 25 ? 34.499 -99.247 -48.865 1.00 100.41 ? 42 ARG Y CG 1 ? ? +24227 ATOM C CD . ARG S 18 25 ? 35.610 -99.025 -49.886 1.00 102.19 ? 42 ARG Y CD 1 ? ? +24228 ATOM N NE . ARG S 18 25 ? 36.797 -99.830 -49.601 1.00 105.29 ? 42 ARG Y NE 1 ? ? +24229 ATOM C CZ . ARG S 18 25 ? 37.861 -99.930 -50.394 1.00 107.37 ? 42 ARG Y CZ 1 ? ? +24230 ATOM N NH1 . ARG S 18 25 ? 37.907 -99.330 -51.573 1.00 108.84 ? 42 ARG Y NH1 1 ? ? +24231 ATOM N NH2 . ARG S 18 25 ? 38.901 -100.661 -49.999 1.00 107.38 ? 42 ARG Y NH2 1 ? ? +24232 ATOM C C . ARG S 18 25 ? 34.681 -98.753 -45.008 1.00 96.59 ? 42 ARG Y C 1 ? ? +24233 ATOM O O . ARG S 18 25 ? 35.833 -99.141 -44.823 1.00 96.77 ? 42 ARG Y O 1 ? ? +24234 ATOM N N . ARG S 18 26 ? 34.013 -97.986 -44.130 1.00 96.94 ? 43 ARG Y N 1 ? ? +24235 ATOM C CA . ARG S 18 26 ? 34.575 -97.504 -42.876 1.00 97.83 ? 43 ARG Y CA 1 ? ? +24236 ATOM C CB . ARG S 18 26 ? 34.498 -98.597 -41.802 1.00 100.73 ? 43 ARG Y CB 1 ? ? +24237 ATOM C CG . ARG S 18 26 ? 33.072 -98.951 -41.402 1.00 102.44 ? 43 ARG Y CG 1 ? ? +24238 ATOM C CD . ARG S 18 26 ? 33.033 -100.135 -40.457 1.00 105.50 ? 43 ARG Y CD 1 ? ? +24239 ATOM N NE . ARG S 18 26 ? 33.508 -99.793 -39.119 1.00 107.97 ? 43 ARG Y NE 1 ? ? +24240 ATOM C CZ . ARG S 18 26 ? 33.884 -100.674 -38.194 1.00 110.36 ? 43 ARG Y CZ 1 ? ? +24241 ATOM N NH1 . ARG S 18 26 ? 33.995 -101.965 -38.466 1.00 111.19 ? 43 ARG Y NH1 1 ? ? +24242 ATOM N NH2 . ARG S 18 26 ? 34.171 -100.244 -36.967 1.00 110.41 ? 43 ARG Y NH2 1 ? ? +24243 ATOM C C . ARG S 18 26 ? 36.011 -97.008 -43.037 1.00 96.55 ? 43 ARG Y C 1 ? ? +24244 ATOM O O . ARG S 18 26 ? 36.917 -97.482 -42.361 1.00 97.86 ? 43 ARG Y O 1 ? ? +24245 ATOM N N . GLY S 18 27 ? 36.200 -96.048 -43.946 1.00 94.30 ? 44 GLY Y N 1 ? ? +24246 ATOM C CA . GLY S 18 27 ? 37.517 -95.536 -44.277 1.00 92.56 ? 44 GLY Y CA 1 ? ? +24247 ATOM C C . GLY S 18 27 ? 37.940 -94.398 -43.357 1.00 90.63 ? 44 GLY Y C 1 ? ? +24248 ATOM O O . GLY S 18 27 ? 37.281 -94.107 -42.366 1.00 89.69 ? 44 GLY Y O 1 ? ? +24249 ATOM N N . ASN S 18 28 ? 39.038 -93.741 -43.732 1.00 89.70 ? 45 ASN Y N 1 ? ? +24250 ATOM C CA . ASN S 18 28 ? 39.667 -92.729 -42.911 1.00 89.16 ? 45 ASN Y CA 1 ? ? +24251 ATOM C CB . ASN S 18 28 ? 41.171 -92.819 -43.169 1.00 91.38 ? 45 ASN Y CB 1 ? ? +24252 ATOM C CG . ASN S 18 28 ? 42.052 -92.183 -42.136 1.00 92.44 ? 45 ASN Y CG 1 ? ? +24253 ATOM O OD1 . ASN S 18 28 ? 41.615 -91.709 -41.081 1.00 93.51 ? 45 ASN Y OD1 1 ? ? +24254 ATOM N ND2 . ASN S 18 28 ? 43.338 -92.164 -42.427 1.00 93.08 ? 45 ASN Y ND2 1 ? ? +24255 ATOM C C . ASN S 18 28 ? 39.104 -91.340 -43.213 1.00 86.78 ? 45 ASN Y C 1 ? ? +24256 ATOM O O . ASN S 18 28 ? 39.833 -90.454 -43.653 1.00 86.33 ? 45 ASN Y O 1 ? ? +24257 ATOM N N . LEU S 18 29 ? 37.800 -91.162 -42.955 1.00 85.05 ? 46 LEU Y N 1 ? ? +24258 ATOM C CA . LEU S 18 29 ? 37.137 -89.869 -43.053 1.00 82.98 ? 46 LEU Y CA 1 ? ? +24259 ATOM C CB . LEU S 18 29 ? 35.620 -90.050 -42.921 1.00 82.49 ? 46 LEU Y CB 1 ? ? +24260 ATOM C CG . LEU S 18 29 ? 34.908 -90.703 -44.076 1.00 82.40 ? 46 LEU Y CG 1 ? ? +24261 ATOM C CD1 . LEU S 18 29 ? 33.455 -90.969 -43.723 1.00 82.20 ? 46 LEU Y CD1 1 ? ? +24262 ATOM C CD2 . LEU S 18 29 ? 35.021 -89.843 -45.325 1.00 81.63 ? 46 LEU Y CD2 1 ? ? +24263 ATOM C C . LEU S 18 29 ? 37.578 -88.914 -41.959 1.00 82.41 ? 46 LEU Y C 1 ? ? +24264 ATOM O O . LEU S 18 29 ? 37.638 -87.696 -42.152 1.00 81.58 ? 46 LEU Y O 1 ? ? +24265 ATOM O OXT . LEU S 18 29 ? 37.869 -89.366 -40.860 1.00 83.51 ? 46 LEU Y OXT 1 ? ? +24266 ATOM N N . MET T 26 1 ? 39.659 -90.132 -88.930 1.00 101.40 ? 1 MET Z N 1 ? ? +24267 ATOM C CA . MET T 26 1 ? 40.675 -89.623 -88.010 1.00 101.12 ? 1 MET Z CA 1 ? ? +24268 ATOM C CB . MET T 26 1 ? 41.725 -88.796 -88.772 1.00 101.90 ? 1 MET Z CB 1 ? ? +24269 ATOM C CG . MET T 26 1 ? 42.842 -88.260 -87.892 1.00 102.27 ? 1 MET Z CG 1 ? ? +24270 ATOM S SD . MET T 26 1 ? 43.725 -89.580 -87.001 1.00 104.65 ? 1 MET Z SD 1 ? ? +24271 ATOM C CE . MET T 26 1 ? 44.851 -90.153 -88.223 1.00 103.12 ? 1 MET Z CE 1 ? ? +24272 ATOM C C . MET T 26 1 ? 40.007 -88.792 -86.916 1.00 99.70 ? 1 MET Z C 1 ? ? +24273 ATOM O O . MET T 26 1 ? 40.329 -88.947 -85.742 1.00 99.27 ? 1 MET Z O 1 ? ? +24274 ATOM N N . THR T 26 2 ? 39.074 -87.913 -87.312 1.00 98.75 ? 2 THR Z N 1 ? ? +24275 ATOM C CA . THR T 26 2 ? 38.324 -87.096 -86.370 1.00 98.21 ? 2 THR Z CA 1 ? ? +24276 ATOM C CB . THR T 26 2 ? 37.313 -86.202 -87.114 1.00 97.58 ? 2 THR Z CB 1 ? ? +24277 ATOM O OG1 . THR T 26 2 ? 38.037 -85.334 -87.983 1.00 97.74 ? 2 THR Z OG1 1 ? ? +24278 ATOM C CG2 . THR T 26 2 ? 36.439 -85.354 -86.171 1.00 96.37 ? 2 THR Z CG2 1 ? ? +24279 ATOM C C . THR T 26 2 ? 37.633 -87.967 -85.323 1.00 98.85 ? 2 THR Z C 1 ? ? +24280 ATOM O O . THR T 26 2 ? 37.539 -87.584 -84.155 1.00 98.44 ? 2 THR Z O 1 ? ? +24281 ATOM N N . ILE T 26 3 ? 37.155 -89.144 -85.748 1.00 99.97 ? 3 ILE Z N 1 ? ? +24282 ATOM C CA . ILE T 26 3 ? 36.488 -90.052 -84.830 1.00 99.36 ? 3 ILE Z CA 1 ? ? +24283 ATOM C CB . ILE T 26 3 ? 35.657 -91.129 -85.598 1.00 100.76 ? 3 ILE Z CB 1 ? ? +24284 ATOM C CG1 . ILE T 26 3 ? 34.361 -90.511 -86.230 1.00 100.97 ? 3 ILE Z CG1 1 ? ? +24285 ATOM C CG2 . ILE T 26 3 ? 35.282 -92.308 -84.695 1.00 100.99 ? 3 ILE Z CG2 1 ? ? +24286 ATOM C CD1 . ILE T 26 3 ? 34.561 -89.382 -87.388 1.00 100.79 ? 3 ILE Z CD1 1 ? ? +24287 ATOM C C . ILE T 26 3 ? 37.502 -90.617 -83.834 1.00 97.54 ? 3 ILE Z C 1 ? ? +24288 ATOM O O . ILE T 26 3 ? 37.223 -90.630 -82.635 1.00 97.42 ? 3 ILE Z O 1 ? ? +24289 ATOM N N . LEU T 26 4 ? 38.679 -91.039 -84.324 1.00 95.32 ? 4 LEU Z N 1 ? ? +24290 ATOM C CA . LEU T 26 4 ? 39.710 -91.603 -83.462 1.00 94.33 ? 4 LEU Z CA 1 ? ? +24291 ATOM C CB . LEU T 26 4 ? 40.918 -92.069 -84.301 1.00 94.17 ? 4 LEU Z CB 1 ? ? +24292 ATOM C CG . LEU T 26 4 ? 41.979 -92.902 -83.584 1.00 94.49 ? 4 LEU Z CG 1 ? ? +24293 ATOM C CD1 . LEU T 26 4 ? 42.892 -93.601 -84.570 1.00 95.41 ? 4 LEU Z CD1 1 ? ? +24294 ATOM C CD2 . LEU T 26 4 ? 42.872 -92.080 -82.699 1.00 93.96 ? 4 LEU Z CD2 1 ? ? +24295 ATOM C C . LEU T 26 4 ? 40.137 -90.586 -82.400 1.00 93.21 ? 4 LEU Z C 1 ? ? +24296 ATOM O O . LEU T 26 4 ? 40.380 -90.950 -81.253 1.00 93.52 ? 4 LEU Z O 1 ? ? +24297 ATOM N N . PHE T 26 5 ? 40.214 -89.308 -82.793 1.00 91.27 ? 5 PHE Z N 1 ? ? +24298 ATOM C CA . PHE T 26 5 ? 40.476 -88.217 -81.867 1.00 89.34 ? 5 PHE Z CA 1 ? ? +24299 ATOM C CB . PHE T 26 5 ? 40.568 -86.882 -82.626 1.00 88.19 ? 5 PHE Z CB 1 ? ? +24300 ATOM C CG . PHE T 26 5 ? 40.608 -85.645 -81.769 1.00 86.54 ? 5 PHE Z CG 1 ? ? +24301 ATOM C CD1 . PHE T 26 5 ? 41.796 -85.206 -81.218 1.00 86.40 ? 5 PHE Z CD1 1 ? ? +24302 ATOM C CD2 . PHE T 26 5 ? 39.447 -84.936 -81.491 1.00 85.51 ? 5 PHE Z CD2 1 ? ? +24303 ATOM C CE1 . PHE T 26 5 ? 41.833 -84.065 -80.431 1.00 85.52 ? 5 PHE Z CE1 1 ? ? +24304 ATOM C CE2 . PHE T 26 5 ? 39.481 -83.812 -80.687 1.00 84.75 ? 5 PHE Z CE2 1 ? ? +24305 ATOM C CZ . PHE T 26 5 ? 40.674 -83.382 -80.164 1.00 84.80 ? 5 PHE Z CZ 1 ? ? +24306 ATOM C C . PHE T 26 5 ? 39.392 -88.134 -80.795 1.00 88.41 ? 5 PHE Z C 1 ? ? +24307 ATOM O O . PHE T 26 5 ? 39.701 -88.182 -79.608 1.00 87.53 ? 5 PHE Z O 1 ? ? +24308 ATOM N N . GLN T 26 6 ? 38.131 -87.994 -81.235 1.00 88.12 ? 6 GLN Z N 1 ? ? +24309 ATOM C CA . GLN T 26 6 ? 36.986 -87.861 -80.342 1.00 87.12 ? 6 GLN Z CA 1 ? ? +24310 ATOM C CB . GLN T 26 6 ? 35.703 -87.649 -81.161 1.00 87.71 ? 6 GLN Z CB 1 ? ? +24311 ATOM C CG . GLN T 26 6 ? 35.340 -86.171 -81.333 1.00 87.62 ? 6 GLN Z CG 1 ? ? +24312 ATOM C CD . GLN T 26 6 ? 34.333 -85.944 -82.428 1.00 88.35 ? 6 GLN Z CD 1 ? ? +24313 ATOM O OE1 . GLN T 26 6 ? 33.902 -86.878 -83.118 1.00 89.15 ? 6 GLN Z OE1 1 ? ? +24314 ATOM N NE2 . GLN T 26 6 ? 33.941 -84.688 -82.606 1.00 88.23 ? 6 GLN Z NE2 1 ? ? +24315 ATOM C C . GLN T 26 6 ? 36.789 -89.041 -79.388 1.00 86.26 ? 6 GLN Z C 1 ? ? +24316 ATOM O O . GLN T 26 6 ? 36.257 -88.874 -78.290 1.00 85.60 ? 6 GLN Z O 1 ? ? +24317 ATOM N N . LEU T 26 7 ? 37.211 -90.231 -79.828 1.00 86.25 ? 7 LEU Z N 1 ? ? +24318 ATOM C CA . LEU T 26 7 ? 37.229 -91.407 -78.972 1.00 86.13 ? 7 LEU Z CA 1 ? ? +24319 ATOM C CB . LEU T 26 7 ? 37.454 -92.686 -79.814 1.00 87.33 ? 7 LEU Z CB 1 ? ? +24320 ATOM C CG . LEU T 26 7 ? 36.196 -93.225 -80.566 1.00 87.84 ? 7 LEU Z CG 1 ? ? +24321 ATOM C CD1 . LEU T 26 7 ? 36.428 -94.632 -81.083 1.00 88.94 ? 7 LEU Z CD1 1 ? ? +24322 ATOM C CD2 . LEU T 26 7 ? 34.926 -93.166 -79.693 1.00 87.10 ? 7 LEU Z CD2 1 ? ? +24323 ATOM C C . LEU T 26 7 ? 38.288 -91.284 -77.876 1.00 85.01 ? 7 LEU Z C 1 ? ? +24324 ATOM O O . LEU T 26 7 ? 37.970 -91.395 -76.696 1.00 83.98 ? 7 LEU Z O 1 ? ? +24325 ATOM N N . ALA T 26 8 ? 39.542 -91.038 -78.277 1.00 84.75 ? 8 ALA Z N 1 ? ? +24326 ATOM C CA . ALA T 26 8 ? 40.637 -90.833 -77.339 1.00 84.21 ? 8 ALA Z CA 1 ? ? +24327 ATOM C CB . ALA T 26 8 ? 41.918 -90.465 -78.081 1.00 84.49 ? 8 ALA Z CB 1 ? ? +24328 ATOM C C . ALA T 26 8 ? 40.313 -89.759 -76.302 1.00 83.01 ? 8 ALA Z C 1 ? ? +24329 ATOM O O . ALA T 26 8 ? 40.667 -89.903 -75.136 1.00 83.00 ? 8 ALA Z O 1 ? ? +24330 ATOM N N . LEU T 26 9 ? 39.644 -88.685 -76.737 1.00 81.86 ? 9 LEU Z N 1 ? ? +24331 ATOM C CA . LEU T 26 9 ? 39.288 -87.591 -75.847 1.00 81.11 ? 9 LEU Z CA 1 ? ? +24332 ATOM C CB . LEU T 26 9 ? 38.898 -86.339 -76.659 1.00 80.68 ? 9 LEU Z CB 1 ? ? +24333 ATOM C CG . LEU T 26 9 ? 38.671 -85.049 -75.857 1.00 79.91 ? 9 LEU Z CG 1 ? ? +24334 ATOM C CD1 . LEU T 26 9 ? 39.869 -84.717 -74.961 1.00 80.10 ? 9 LEU Z CD1 1 ? ? +24335 ATOM C CD2 . LEU T 26 9 ? 38.395 -83.872 -76.780 1.00 79.39 ? 9 LEU Z CD2 1 ? ? +24336 ATOM C C . LEU T 26 9 ? 38.158 -87.989 -74.898 1.00 80.73 ? 9 LEU Z C 1 ? ? +24337 ATOM O O . LEU T 26 9 ? 38.167 -87.608 -73.726 1.00 80.42 ? 9 LEU Z O 1 ? ? +24338 ATOM N N . ALA T 26 10 ? 37.184 -88.750 -75.408 1.00 80.62 ? 10 ALA Z N 1 ? ? +24339 ATOM C CA . ALA T 26 10 ? 36.126 -89.272 -74.558 1.00 80.06 ? 10 ALA Z CA 1 ? ? +24340 ATOM C CB . ALA T 26 10 ? 35.000 -89.868 -75.396 1.00 80.59 ? 10 ALA Z CB 1 ? ? +24341 ATOM C C . ALA T 26 10 ? 36.704 -90.300 -73.583 1.00 79.88 ? 10 ALA Z C 1 ? ? +24342 ATOM O O . ALA T 26 10 ? 36.281 -90.365 -72.434 1.00 79.44 ? 10 ALA Z O 1 ? ? +24343 ATOM N N . ALA T 26 11 ? 37.689 -91.084 -74.042 1.00 80.03 ? 11 ALA Z N 1 ? ? +24344 ATOM C CA . ALA T 26 11 ? 38.381 -92.036 -73.185 1.00 79.91 ? 11 ALA Z CA 1 ? ? +24345 ATOM C CB . ALA T 26 11 ? 39.382 -92.855 -73.985 1.00 80.47 ? 11 ALA Z CB 1 ? ? +24346 ATOM C C . ALA T 26 11 ? 39.082 -91.320 -72.031 1.00 79.29 ? 11 ALA Z C 1 ? ? +24347 ATOM O O . ALA T 26 11 ? 39.049 -91.792 -70.898 1.00 79.68 ? 11 ALA Z O 1 ? ? +24348 ATOM N N . LEU T 26 12 ? 39.701 -90.169 -72.326 1.00 78.23 ? 12 LEU Z N 1 ? ? +24349 ATOM C CA . LEU T 26 12 ? 40.349 -89.349 -71.312 1.00 77.08 ? 12 LEU Z CA 1 ? ? +24350 ATOM C CB . LEU T 26 12 ? 41.099 -88.185 -71.988 1.00 76.48 ? 12 LEU Z CB 1 ? ? +24351 ATOM C CG . LEU T 26 12 ? 41.790 -87.172 -71.090 1.00 75.66 ? 12 LEU Z CG 1 ? ? +24352 ATOM C CD1 . LEU T 26 12 ? 42.947 -87.792 -70.311 1.00 76.15 ? 12 LEU Z CD1 1 ? ? +24353 ATOM C CD2 . LEU T 26 12 ? 42.309 -86.003 -71.915 1.00 75.22 ? 12 LEU Z CD2 1 ? ? +24354 ATOM C C . LEU T 26 12 ? 39.343 -88.824 -70.289 1.00 76.11 ? 12 LEU Z C 1 ? ? +24355 ATOM O O . LEU T 26 12 ? 39.594 -88.872 -69.089 1.00 75.76 ? 12 LEU Z O 1 ? ? +24356 ATOM N N . VAL T 26 13 ? 38.199 -88.329 -70.770 1.00 75.73 ? 13 VAL Z N 1 ? ? +24357 ATOM C CA . VAL T 26 13 ? 37.150 -87.835 -69.891 1.00 75.21 ? 13 VAL Z CA 1 ? ? +24358 ATOM C CB . VAL T 26 13 ? 36.001 -87.194 -70.710 1.00 74.63 ? 13 VAL Z CB 1 ? ? +24359 ATOM C CG1 . VAL T 26 13 ? 34.748 -86.958 -69.864 1.00 73.91 ? 13 VAL Z CG1 1 ? ? +24360 ATOM C CG2 . VAL T 26 13 ? 36.474 -85.900 -71.359 1.00 74.36 ? 13 VAL Z CG2 1 ? ? +24361 ATOM C C . VAL T 26 13 ? 36.641 -88.933 -68.956 1.00 76.04 ? 13 VAL Z C 1 ? ? +24362 ATOM O O . VAL T 26 13 ? 36.469 -88.689 -67.762 1.00 75.70 ? 13 VAL Z O 1 ? ? +24363 ATOM N N . ILE T 26 14 ? 36.394 -90.136 -69.504 1.00 77.12 ? 14 ILE Z N 1 ? ? +24364 ATOM C CA . ILE T 26 14 ? 35.933 -91.270 -68.716 1.00 77.55 ? 14 ILE Z CA 1 ? ? +24365 ATOM C CB . ILE T 26 14 ? 35.585 -92.487 -69.630 1.00 78.39 ? 14 ILE Z CB 1 ? ? +24366 ATOM C CG1 . ILE T 26 14 ? 34.383 -92.178 -70.536 1.00 78.19 ? 14 ILE Z CG1 1 ? ? +24367 ATOM C CG2 . ILE T 26 14 ? 35.370 -93.758 -68.830 1.00 79.02 ? 14 ILE Z CG2 1 ? ? +24368 ATOM C CD1 . ILE T 26 14 ? 33.097 -91.779 -69.807 1.00 77.64 ? 14 ILE Z CD1 1 ? ? +24369 ATOM C C . ILE T 26 14 ? 36.976 -91.650 -67.666 1.00 78.07 ? 14 ILE Z C 1 ? ? +24370 ATOM O O . ILE T 26 14 ? 36.655 -91.716 -66.479 1.00 78.27 ? 14 ILE Z O 1 ? ? +24371 ATOM N N . LEU T 26 15 ? 38.219 -91.889 -68.115 1.00 78.16 ? 15 LEU Z N 1 ? ? +24372 ATOM C CA . LEU T 26 15 ? 39.303 -92.258 -67.221 1.00 78.45 ? 15 LEU Z CA 1 ? ? +24373 ATOM C CB . LEU T 26 15 ? 40.626 -92.385 -67.993 1.00 78.93 ? 15 LEU Z CB 1 ? ? +24374 ATOM C CG . LEU T 26 15 ? 41.890 -92.633 -67.146 1.00 79.19 ? 15 LEU Z CG 1 ? ? +24375 ATOM C CD1 . LEU T 26 15 ? 41.823 -93.948 -66.402 1.00 79.79 ? 15 LEU Z CD1 1 ? ? +24376 ATOM C CD2 . LEU T 26 15 ? 43.142 -92.610 -68.012 1.00 79.66 ? 15 LEU Z CD2 1 ? ? +24377 ATOM C C . LEU T 26 15 ? 39.453 -91.241 -66.094 1.00 78.11 ? 15 LEU Z C 1 ? ? +24378 ATOM O O . LEU T 26 15 ? 39.635 -91.620 -64.937 1.00 78.45 ? 15 LEU Z O 1 ? ? +24379 ATOM N N . SER T 26 16 ? 39.382 -89.948 -66.440 1.00 77.50 ? 16 SER Z N 1 ? ? +24380 ATOM C CA . SER T 26 16 ? 39.515 -88.890 -65.454 1.00 76.78 ? 16 SER Z CA 1 ? ? +24381 ATOM C CB . SER T 26 16 ? 39.453 -87.521 -66.117 1.00 75.87 ? 16 SER Z CB 1 ? ? +24382 ATOM O OG . SER T 26 16 ? 40.519 -87.360 -67.032 1.00 76.02 ? 16 SER Z OG 1 ? ? +24383 ATOM C C . SER T 26 16 ? 38.442 -89.003 -64.375 1.00 76.98 ? 16 SER Z C 1 ? ? +24384 ATOM O O . SER T 26 16 ? 38.752 -88.930 -63.187 1.00 77.17 ? 16 SER Z O 1 ? ? +24385 ATOM N N . PHE T 26 17 ? 37.186 -89.196 -64.802 1.00 77.37 ? 17 PHE Z N 1 ? ? +24386 ATOM C CA . PHE T 26 17 ? 36.059 -89.276 -63.885 1.00 77.24 ? 17 PHE Z CA 1 ? ? +24387 ATOM C CB . PHE T 26 17 ? 34.736 -89.347 -64.662 1.00 77.49 ? 17 PHE Z CB 1 ? ? +24388 ATOM C CG . PHE T 26 17 ? 33.496 -89.209 -63.808 1.00 77.43 ? 17 PHE Z CG 1 ? ? +24389 ATOM C CD1 . PHE T 26 17 ? 33.021 -87.964 -63.448 1.00 77.14 ? 17 PHE Z CD1 1 ? ? +24390 ATOM C CD2 . PHE T 26 17 ? 32.811 -90.330 -63.362 1.00 78.31 ? 17 PHE Z CD2 1 ? ? +24391 ATOM C CE1 . PHE T 26 17 ? 31.867 -87.838 -62.668 1.00 77.60 ? 17 PHE Z CE1 1 ? ? +24392 ATOM C CE2 . PHE T 26 17 ? 31.663 -90.204 -62.580 1.00 78.47 ? 17 PHE Z CE2 1 ? ? +24393 ATOM C CZ . PHE T 26 17 ? 31.195 -88.962 -62.240 1.00 77.96 ? 17 PHE Z CZ 1 ? ? +24394 ATOM C C . PHE T 26 17 ? 36.178 -90.476 -62.948 1.00 77.98 ? 17 PHE Z C 1 ? ? +24395 ATOM O O . PHE T 26 17 ? 35.754 -90.409 -61.798 1.00 78.03 ? 17 PHE Z O 1 ? ? +24396 ATOM N N . VAL T 26 18 ? 36.763 -91.571 -63.446 1.00 78.85 ? 18 VAL Z N 1 ? ? +24397 ATOM C CA . VAL T 26 18 ? 37.026 -92.737 -62.620 1.00 79.71 ? 18 VAL Z CA 1 ? ? +24398 ATOM C CB . VAL T 26 18 ? 37.360 -93.975 -63.489 1.00 80.94 ? 18 VAL Z CB 1 ? ? +24399 ATOM C CG1 . VAL T 26 18 ? 37.583 -95.204 -62.616 1.00 81.58 ? 18 VAL Z CG1 1 ? ? +24400 ATOM C CG2 . VAL T 26 18 ? 36.265 -94.239 -64.518 1.00 81.17 ? 18 VAL Z CG2 1 ? ? +24401 ATOM C C . VAL T 26 18 ? 38.139 -92.443 -61.612 1.00 79.90 ? 18 VAL Z C 1 ? ? +24402 ATOM O O . VAL T 26 18 ? 38.028 -92.827 -60.450 1.00 79.89 ? 18 VAL Z O 1 ? ? +24403 ATOM N N . MET T 26 19 ? 39.207 -91.762 -62.060 1.00 79.91 ? 19 MET Z N 1 ? ? +24404 ATOM C CA . MET T 26 19 ? 40.335 -91.417 -61.203 1.00 79.95 ? 19 MET Z CA 1 ? ? +24405 ATOM C CB . MET T 26 19 ? 41.470 -90.753 -62.024 1.00 79.92 ? 19 MET Z CB 1 ? ? +24406 ATOM C CG . MET T 26 19 ? 42.177 -91.680 -62.969 1.00 80.65 ? 19 MET Z CG 1 ? ? +24407 ATOM S SD . MET T 26 19 ? 43.306 -92.833 -62.181 1.00 81.37 ? 19 MET Z SD 1 ? ? +24408 ATOM C CE . MET T 26 19 ? 44.562 -91.753 -61.627 1.00 81.29 ? 19 MET Z CE 1 ? ? +24409 ATOM C C . MET T 26 19 ? 39.921 -90.451 -60.090 1.00 78.97 ? 19 MET Z C 1 ? ? +24410 ATOM O O . MET T 26 19 ? 40.439 -90.513 -58.974 1.00 79.48 ? 19 MET Z O 1 ? ? +24411 ATOM N N . VAL T 26 20 ? 38.995 -89.542 -60.415 1.00 77.50 ? 20 VAL Z N 1 ? ? +24412 ATOM C CA . VAL T 26 20 ? 38.522 -88.547 -59.468 1.00 76.31 ? 20 VAL Z CA 1 ? ? +24413 ATOM C CB . VAL T 26 20 ? 37.601 -87.530 -60.194 1.00 75.61 ? 20 VAL Z CB 1 ? ? +24414 ATOM C CG1 . VAL T 26 20 ? 36.586 -86.889 -59.246 1.00 75.07 ? 20 VAL Z CG1 1 ? ? +24415 ATOM C CG2 . VAL T 26 20 ? 38.428 -86.467 -60.910 1.00 75.31 ? 20 VAL Z CG2 1 ? ? +24416 ATOM C C . VAL T 26 20 ? 37.842 -89.199 -58.263 1.00 76.00 ? 20 VAL Z C 1 ? ? +24417 ATOM O O . VAL T 26 20 ? 38.018 -88.752 -57.130 1.00 75.76 ? 20 VAL Z O 1 ? ? +24418 ATOM N N . ILE T 26 21 ? 37.061 -90.254 -58.517 1.00 75.82 ? 21 ILE Z N 1 ? ? +24419 ATOM C CA . ILE T 26 21 ? 36.406 -91.005 -57.459 1.00 75.45 ? 21 ILE Z CA 1 ? ? +24420 ATOM C CB . ILE T 26 21 ? 35.108 -91.678 -57.991 1.00 75.64 ? 21 ILE Z CB 1 ? ? +24421 ATOM C CG1 . ILE T 26 21 ? 34.131 -90.620 -58.555 1.00 74.97 ? 21 ILE Z CG1 1 ? ? +24422 ATOM C CG2 . ILE T 26 21 ? 34.437 -92.534 -56.916 1.00 75.99 ? 21 ILE Z CG2 1 ? ? +24423 ATOM C CD1 . ILE T 26 21 ? 32.885 -91.183 -59.183 1.00 75.26 ? 21 ILE Z CD1 1 ? ? +24424 ATOM C C . ILE T 26 21 ? 37.367 -92.026 -56.862 1.00 75.78 ? 21 ILE Z C 1 ? ? +24425 ATOM O O . ILE T 26 21 ? 37.364 -92.248 -55.658 1.00 75.62 ? 21 ILE Z O 1 ? ? +24426 ATOM N N . GLY T 26 22 ? 38.192 -92.635 -57.719 1.00 76.42 ? 22 GLY Z N 1 ? ? +24427 ATOM C CA . GLY T 26 22 ? 39.030 -93.752 -57.319 1.00 77.16 ? 22 GLY Z CA 1 ? ? +24428 ATOM C C . GLY T 26 22 ? 40.140 -93.381 -56.340 1.00 77.51 ? 22 GLY Z C 1 ? ? +24429 ATOM O O . GLY T 26 22 ? 40.284 -94.021 -55.300 1.00 78.11 ? 22 GLY Z O 1 ? ? +24430 ATOM N N . VAL T 26 23 ? 40.925 -92.351 -56.689 1.00 77.27 ? 23 VAL Z N 1 ? ? +24431 ATOM C CA . VAL T 26 23 ? 42.123 -92.006 -55.940 1.00 77.44 ? 23 VAL Z CA 1 ? ? +24432 ATOM C CB . VAL T 26 23 ? 42.896 -90.839 -56.620 1.00 77.09 ? 23 VAL Z CB 1 ? ? +24433 ATOM C CG1 . VAL T 26 23 ? 43.968 -90.262 -55.708 1.00 77.05 ? 23 VAL Z CG1 1 ? ? +24434 ATOM C CG2 . VAL T 26 23 ? 43.501 -91.277 -57.945 1.00 77.54 ? 23 VAL Z CG2 1 ? ? +24435 ATOM C C . VAL T 26 23 ? 41.794 -91.711 -54.478 1.00 77.13 ? 23 VAL Z C 1 ? ? +24436 ATOM O O . VAL T 26 23 ? 42.360 -92.337 -53.589 1.00 77.29 ? 23 VAL Z O 1 ? ? +24437 ATOM N N . PRO T 26 24 ? 40.861 -90.781 -54.166 1.00 76.85 ? 24 PRO Z N 1 ? ? +24438 ATOM C CA . PRO T 26 24 ? 40.527 -90.466 -52.774 1.00 76.91 ? 24 PRO Z CA 1 ? ? +24439 ATOM C CB . PRO T 26 24 ? 39.389 -89.442 -52.909 1.00 75.96 ? 24 PRO Z CB 1 ? ? +24440 ATOM C CG . PRO T 26 24 ? 39.521 -88.895 -54.286 1.00 75.70 ? 24 PRO Z CG 1 ? ? +24441 ATOM C CD . PRO T 26 24 ? 40.062 -90.002 -55.120 1.00 76.29 ? 24 PRO Z CD 1 ? ? +24442 ATOM C C . PRO T 26 24 ? 40.087 -91.676 -51.954 1.00 78.08 ? 24 PRO Z C 1 ? ? +24443 ATOM O O . PRO T 26 24 ? 40.541 -91.859 -50.825 1.00 78.33 ? 24 PRO Z O 1 ? ? +24444 ATOM N N . VAL T 26 25 ? 39.209 -92.502 -52.541 1.00 78.94 ? 25 VAL Z N 1 ? ? +24445 ATOM C CA . VAL T 26 25 ? 38.706 -93.698 -51.887 1.00 79.85 ? 25 VAL Z CA 1 ? ? +24446 ATOM C CB . VAL T 26 25 ? 37.590 -94.382 -52.726 1.00 80.11 ? 25 VAL Z CB 1 ? ? +24447 ATOM C CG1 . VAL T 26 25 ? 37.119 -95.664 -52.065 1.00 80.84 ? 25 VAL Z CG1 1 ? ? +24448 ATOM C CG2 . VAL T 26 25 ? 36.412 -93.454 -52.960 1.00 79.34 ? 25 VAL Z CG2 1 ? ? +24449 ATOM C C . VAL T 26 25 ? 39.856 -94.660 -51.593 1.00 81.25 ? 25 VAL Z C 1 ? ? +24450 ATOM O O . VAL T 26 25 ? 39.916 -95.244 -50.513 1.00 81.90 ? 25 VAL Z O 1 ? ? +24451 ATOM N N . ALA T 26 26 ? 40.771 -94.809 -52.558 1.00 82.13 ? 26 ALA Z N 1 ? ? +24452 ATOM C CA . ALA T 26 26 ? 41.935 -95.661 -52.388 1.00 83.88 ? 26 ALA Z CA 1 ? ? +24453 ATOM C CB . ALA T 26 26 ? 42.667 -95.821 -53.714 1.00 84.23 ? 26 ALA Z CB 1 ? ? +24454 ATOM C C . ALA T 26 26 ? 42.880 -95.119 -51.315 1.00 84.78 ? 26 ALA Z C 1 ? ? +24455 ATOM O O . ALA T 26 26 ? 43.314 -95.862 -50.440 1.00 85.76 ? 26 ALA Z O 1 ? ? +24456 ATOM N N . TYR T 26 27 ? 43.199 -93.821 -51.378 1.00 84.82 ? 27 TYR Z N 1 ? ? +24457 ATOM C CA . TYR T 26 27 ? 44.127 -93.219 -50.431 1.00 85.29 ? 27 TYR Z CA 1 ? ? +24458 ATOM C CB . TYR T 26 27 ? 44.408 -91.743 -50.790 1.00 84.02 ? 27 TYR Z CB 1 ? ? +24459 ATOM C CG . TYR T 26 27 ? 45.484 -91.491 -51.830 1.00 84.04 ? 27 TYR Z CG 1 ? ? +24460 ATOM C CD1 . TYR T 26 27 ? 46.557 -92.357 -51.983 1.00 85.13 ? 27 TYR Z CD1 1 ? ? +24461 ATOM C CD2 . TYR T 26 27 ? 45.429 -90.382 -52.658 1.00 83.41 ? 27 TYR Z CD2 1 ? ? +24462 ATOM C CE1 . TYR T 26 27 ? 47.547 -92.123 -52.933 1.00 85.20 ? 27 TYR Z CE1 1 ? ? +24463 ATOM C CE2 . TYR T 26 27 ? 46.420 -90.135 -53.603 1.00 83.57 ? 27 TYR Z CE2 1 ? ? +24464 ATOM C CZ . TYR T 26 27 ? 47.472 -91.014 -53.742 1.00 84.42 ? 27 TYR Z CZ 1 ? ? +24465 ATOM O OH . TYR T 26 27 ? 48.438 -90.791 -54.682 1.00 85.23 ? 27 TYR Z OH 1 ? ? +24466 ATOM C C . TYR T 26 27 ? 43.635 -93.302 -48.986 1.00 86.60 ? 27 TYR Z C 1 ? ? +24467 ATOM O O . TYR T 26 27 ? 44.443 -93.406 -48.067 1.00 87.02 ? 27 TYR Z O 1 ? ? +24468 ATOM N N . ALA T 26 28 ? 42.310 -93.259 -48.794 1.00 87.75 ? 28 ALA Z N 1 ? ? +24469 ATOM C CA . ALA T 26 28 ? 41.720 -93.253 -47.465 1.00 89.08 ? 28 ALA Z CA 1 ? ? +24470 ATOM C CB . ALA T 26 28 ? 40.621 -92.203 -47.409 1.00 87.79 ? 28 ALA Z CB 1 ? ? +24471 ATOM C C . ALA T 26 28 ? 41.173 -94.615 -47.038 1.00 92.24 ? 28 ALA Z C 1 ? ? +24472 ATOM O O . ALA T 26 28 ? 40.468 -94.712 -46.037 1.00 92.56 ? 28 ALA Z O 1 ? ? +24473 ATOM N N . SER T 26 29 ? 41.484 -95.657 -47.819 1.00 96.18 ? 29 SER Z N 1 ? ? +24474 ATOM C CA . SER T 26 29 ? 41.209 -97.041 -47.464 1.00 99.81 ? 29 SER Z CA 1 ? ? +24475 ATOM C CB . SER T 26 29 ? 40.332 -97.716 -48.527 1.00 99.56 ? 29 SER Z CB 1 ? ? +24476 ATOM O OG . SER T 26 29 ? 39.009 -97.205 -48.572 1.00 98.91 ? 29 SER Z OG 1 ? ? +24477 ATOM C C . SER T 26 29 ? 42.534 -97.797 -47.358 1.00 103.92 ? 29 SER Z C 1 ? ? +24478 ATOM O O . SER T 26 29 ? 43.145 -98.101 -48.383 1.00 105.22 ? 29 SER Z O 1 ? ? +24479 ATOM N N . PRO T 26 30 ? 43.052 -98.122 -46.145 1.00 107.90 ? 30 PRO Z N 1 ? ? +24480 ATOM C CA . PRO T 26 30 ? 44.158 -99.081 -46.019 1.00 110.66 ? 30 PRO Z CA 1 ? ? +24481 ATOM C CB . PRO T 26 30 ? 44.514 -99.024 -44.529 1.00 110.42 ? 30 PRO Z CB 1 ? ? +24482 ATOM C CG . PRO T 26 30 ? 43.254 -98.515 -43.847 1.00 109.51 ? 30 PRO Z CG 1 ? ? +24483 ATOM C CD . PRO T 26 30 ? 42.626 -97.569 -44.845 1.00 108.16 ? 30 PRO Z CD 1 ? ? +24484 ATOM C C . PRO T 26 30 ? 43.753 -100.491 -46.454 1.00 114.10 ? 30 PRO Z C 1 ? ? +24485 ATOM O O . PRO T 26 30 ? 44.602 -101.297 -46.824 1.00 112.74 ? 30 PRO Z O 1 ? ? +24486 ATOM N N . GLN T 26 31 ? 42.443 -100.766 -46.365 1.00 118.61 ? 31 GLN Z N 1 ? ? +24487 ATOM C CA . GLN T 26 31 ? 41.804 -101.959 -46.903 1.00 122.06 ? 31 GLN Z CA 1 ? ? +24488 ATOM C CB . GLN T 26 31 ? 40.250 -101.842 -46.801 1.00 122.60 ? 31 GLN Z CB 1 ? ? +24489 ATOM C CG . GLN T 26 31 ? 39.665 -101.629 -45.386 1.00 123.10 ? 31 GLN Z CG 1 ? ? +24490 ATOM C CD . GLN T 26 31 ? 39.704 -100.185 -44.913 1.00 122.35 ? 31 GLN Z CD 1 ? ? +24491 ATOM O OE1 . GLN T 26 31 ? 39.360 -99.258 -45.657 1.00 123.07 ? 31 GLN Z OE1 1 ? ? +24492 ATOM N NE2 . GLN T 26 31 ? 40.122 -99.952 -43.667 1.00 120.88 ? 31 GLN Z NE2 1 ? ? +24493 ATOM C C . GLN T 26 31 ? 42.184 -102.203 -48.366 1.00 124.51 ? 31 GLN Z C 1 ? ? +24494 ATOM O O . GLN T 26 31 ? 41.602 -101.609 -49.275 1.00 122.95 ? 31 GLN Z O 1 ? ? +24495 ATOM N N . ASP T 26 32 ? 43.178 -103.078 -48.569 1.00 127.86 ? 32 ASP Z N 1 ? ? +24496 ATOM C CA . ASP T 26 32 ? 43.723 -103.362 -49.887 1.00 130.32 ? 32 ASP Z CA 1 ? ? +24497 ATOM C CB . ASP T 26 32 ? 42.646 -104.016 -50.794 1.00 130.15 ? 32 ASP Z CB 1 ? ? +24498 ATOM C CG . ASP T 26 32 ? 43.202 -104.880 -51.912 1.00 130.45 ? 32 ASP Z CG 1 ? ? +24499 ATOM O OD1 . ASP T 26 32 ? 44.036 -105.761 -51.621 1.00 128.67 ? 32 ASP Z OD1 1 ? ? +24500 ATOM O OD2 . ASP T 26 32 ? 42.763 -104.712 -53.063 1.00 131.20 ? 32 ASP Z OD2 1 ? ? +24501 ATOM C C . ASP T 26 32 ? 44.318 -102.092 -50.504 1.00 130.12 ? 32 ASP Z C 1 ? ? +24502 ATOM O O . ASP T 26 32 ? 43.775 -101.538 -51.464 1.00 131.43 ? 32 ASP Z O 1 ? ? +24503 ATOM N N . TRP T 26 33 ? 45.461 -101.677 -49.946 1.00 128.37 ? 33 TRP Z N 1 ? ? +24504 ATOM C CA . TRP T 26 33 ? 46.240 -100.568 -50.467 1.00 126.16 ? 33 TRP Z CA 1 ? ? +24505 ATOM C CB . TRP T 26 33 ? 47.070 -99.913 -49.334 1.00 124.40 ? 33 TRP Z CB 1 ? ? +24506 ATOM C CG . TRP T 26 33 ? 48.193 -99.061 -49.847 1.00 122.77 ? 33 TRP Z CG 1 ? ? +24507 ATOM C CD1 . TRP T 26 33 ? 49.530 -99.279 -49.686 1.00 123.04 ? 33 TRP Z CD1 1 ? ? +24508 ATOM N NE1 . TRP T 26 33 ? 50.250 -98.296 -50.323 1.00 122.74 ? 33 TRP Z NE1 1 ? ? +24509 ATOM C CE2 . TRP T 26 33 ? 49.378 -97.419 -50.919 1.00 119.87 ? 33 TRP Z CE2 1 ? ? +24510 ATOM C CZ2 . TRP T 26 33 ? 49.623 -96.274 -51.674 1.00 118.03 ? 33 TRP Z CZ2 1 ? ? +24511 ATOM C CH2 . TRP T 26 33 ? 48.540 -95.595 -52.161 1.00 116.87 ? 33 TRP Z CH2 1 ? ? +24512 ATOM C CZ3 . TRP T 26 33 ? 47.233 -96.014 -51.903 1.00 115.58 ? 33 TRP Z CZ3 1 ? ? +24513 ATOM C CE3 . TRP T 26 33 ? 46.984 -97.147 -51.153 1.00 117.53 ? 33 TRP Z CE3 1 ? ? +24514 ATOM C CD2 . TRP T 26 33 ? 48.072 -97.874 -50.645 1.00 119.85 ? 33 TRP Z CD2 1 ? ? +24515 ATOM C C . TRP T 26 33 ? 47.154 -100.998 -51.616 1.00 126.78 ? 33 TRP Z C 1 ? ? +24516 ATOM O O . TRP T 26 33 ? 47.355 -100.239 -52.556 1.00 128.00 ? 33 TRP Z O 1 ? ? +24517 ATOM N N . ASP T 26 34 ? 47.719 -102.209 -51.531 1.00 127.12 ? 34 ASP Z N 1 ? ? +24518 ATOM C CA . ASP T 26 34 ? 48.768 -102.615 -52.455 1.00 127.27 ? 34 ASP Z CA 1 ? ? +24519 ATOM C CB . ASP T 26 34 ? 49.631 -103.723 -51.843 1.00 128.64 ? 34 ASP Z CB 1 ? ? +24520 ATOM C CG . ASP T 26 34 ? 50.590 -103.211 -50.780 1.00 129.07 ? 34 ASP Z CG 1 ? ? +24521 ATOM O OD1 . ASP T 26 34 ? 50.440 -102.047 -50.347 1.00 127.54 ? 34 ASP Z OD1 1 ? ? +24522 ATOM O OD2 . ASP T 26 34 ? 51.495 -103.963 -50.397 1.00 130.18 ? 34 ASP Z OD2 1 ? ? +24523 ATOM C C . ASP T 26 34 ? 48.257 -103.010 -53.839 1.00 126.97 ? 34 ASP Z C 1 ? ? +24524 ATOM O O . ASP T 26 34 ? 49.015 -102.914 -54.799 1.00 125.76 ? 34 ASP Z O 1 ? ? +24525 ATOM N N . ARG T 26 35 ? 46.991 -103.440 -53.949 1.00 126.82 ? 35 ARG Z N 1 ? ? +24526 ATOM C CA . ARG T 26 35 ? 46.360 -103.566 -55.256 1.00 126.17 ? 35 ARG Z CA 1 ? ? +24527 ATOM C CB . ARG T 26 35 ? 45.084 -104.434 -55.235 1.00 128.76 ? 35 ARG Z CB 1 ? ? +24528 ATOM C CG . ARG T 26 35 ? 44.467 -104.667 -56.648 1.00 131.41 ? 35 ARG Z CG 1 ? ? +24529 ATOM C CD . ARG T 26 35 ? 45.354 -105.457 -57.608 1.00 133.74 ? 35 ARG Z CD 1 ? ? +24530 ATOM N NE . ARG T 26 35 ? 44.784 -105.484 -58.953 1.00 134.56 ? 35 ARG Z NE 1 ? ? +24531 ATOM C CZ . ARG T 26 35 ? 44.142 -106.517 -59.485 1.00 134.84 ? 35 ARG Z CZ 1 ? ? +24532 ATOM N NH1 . ARG T 26 35 ? 43.847 -107.593 -58.772 1.00 136.12 ? 35 ARG Z NH1 1 ? ? +24533 ATOM N NH2 . ARG T 26 35 ? 43.779 -106.467 -60.765 1.00 133.72 ? 35 ARG Z NH2 1 ? ? +24534 ATOM C C . ARG T 26 35 ? 46.047 -102.164 -55.773 1.00 121.74 ? 35 ARG Z C 1 ? ? +24535 ATOM O O . ARG T 26 35 ? 46.312 -101.855 -56.933 1.00 123.07 ? 35 ARG Z O 1 ? ? +24536 ATOM N N . SER T 26 36 ? 45.507 -101.316 -54.889 1.00 116.97 ? 36 SER Z N 1 ? ? +24537 ATOM C CA . SER T 26 36 ? 45.154 -99.947 -55.239 1.00 112.46 ? 36 SER Z CA 1 ? ? +24538 ATOM C CB . SER T 26 36 ? 44.493 -99.229 -54.059 1.00 111.46 ? 36 SER Z CB 1 ? ? +24539 ATOM O OG . SER T 26 36 ? 43.463 -99.993 -53.456 1.00 111.78 ? 36 SER Z OG 1 ? ? +24540 ATOM C C . SER T 26 36 ? 46.359 -99.135 -55.714 1.00 109.96 ? 36 SER Z C 1 ? ? +24541 ATOM O O . SER T 26 36 ? 46.261 -98.409 -56.697 1.00 110.21 ? 36 SER Z O 1 ? ? +24542 ATOM N N . LYS T 26 37 ? 47.493 -99.263 -55.015 1.00 108.45 ? 37 LYS Z N 1 ? ? +24543 ATOM C CA . LYS T 26 37 ? 48.704 -98.535 -55.359 1.00 107.89 ? 37 LYS Z CA 1 ? ? +24544 ATOM C CB . LYS T 26 37 ? 49.862 -98.923 -54.417 1.00 109.84 ? 37 LYS Z CB 1 ? ? +24545 ATOM C CG . LYS T 26 37 ? 51.116 -98.086 -54.630 1.00 111.31 ? 37 LYS Z CG 1 ? ? +24546 ATOM C CD . LYS T 26 37 ? 52.199 -98.344 -53.576 1.00 112.98 ? 37 LYS Z CD 1 ? ? +24547 ATOM C CE . LYS T 26 37 ? 53.479 -97.608 -53.891 1.00 113.99 ? 37 LYS Z CE 1 ? ? +24548 ATOM N NZ . LYS T 26 37 ? 54.593 -98.034 -53.006 1.00 114.36 ? 37 LYS Z NZ 1 ? ? +24549 ATOM C C . LYS T 26 37 ? 49.114 -98.777 -56.808 1.00 106.82 ? 37 LYS Z C 1 ? ? +24550 ATOM O O . LYS T 26 37 ? 49.509 -97.846 -57.503 1.00 106.19 ? 37 LYS Z O 1 ? ? +24551 ATOM N N . GLN T 26 38 ? 49.015 -100.033 -57.255 1.00 106.94 ? 38 GLN Z N 1 ? ? +24552 ATOM C CA . GLN T 26 38 ? 49.373 -100.414 -58.612 1.00 106.60 ? 38 GLN Z CA 1 ? ? +24553 ATOM C CB . GLN T 26 38 ? 49.514 -101.955 -58.703 1.00 109.45 ? 38 GLN Z CB 1 ? ? +24554 ATOM C CG . GLN T 26 38 ? 49.947 -102.521 -60.069 1.00 111.51 ? 38 GLN Z CG 1 ? ? +24555 ATOM C CD . GLN T 26 38 ? 49.623 -103.996 -60.206 1.00 113.92 ? 38 GLN Z CD 1 ? ? +24556 ATOM O OE1 . GLN T 26 38 ? 48.984 -104.602 -59.334 1.00 114.80 ? 38 GLN Z OE1 1 ? ? +24557 ATOM N NE2 . GLN T 26 38 ? 50.038 -104.602 -61.319 1.00 115.17 ? 38 GLN Z NE2 1 ? ? +24558 ATOM C C . GLN T 26 38 ? 48.350 -99.912 -59.631 1.00 103.54 ? 38 GLN Z C 1 ? ? +24559 ATOM O O . GLN T 26 38 ? 48.733 -99.505 -60.721 1.00 103.64 ? 38 GLN Z O 1 ? ? +24560 ATOM N N . LEU T 26 39 ? 47.056 -99.953 -59.285 1.00 100.84 ? 39 LEU Z N 1 ? ? +24561 ATOM C CA . LEU T 26 39 ? 46.012 -99.404 -60.143 1.00 99.34 ? 39 LEU Z CA 1 ? ? +24562 ATOM C CB . LEU T 26 39 ? 44.618 -99.603 -59.531 1.00 98.38 ? 39 LEU Z CB 1 ? ? +24563 ATOM C CG . LEU T 26 39 ? 44.055 -101.013 -59.550 1.00 98.53 ? 39 LEU Z CG 1 ? ? +24564 ATOM C CD1 . LEU T 26 39 ? 42.688 -101.033 -58.927 1.00 97.72 ? 39 LEU Z CD1 1 ? ? +24565 ATOM C CD2 . LEU T 26 39 ? 43.987 -101.563 -60.968 1.00 98.63 ? 39 LEU Z CD2 1 ? ? +24566 ATOM C C . LEU T 26 39 ? 46.186 -97.907 -60.395 1.00 98.17 ? 39 LEU Z C 1 ? ? +24567 ATOM O O . LEU T 26 39 ? 45.972 -97.441 -61.509 1.00 96.92 ? 39 LEU Z O 1 ? ? +24568 ATOM N N . ILE T 26 40 ? 46.528 -97.161 -59.337 1.00 97.90 ? 40 ILE Z N 1 ? ? +24569 ATOM C CA . ILE T 26 40 ? 46.756 -95.728 -59.426 1.00 96.63 ? 40 ILE Z CA 1 ? ? +24570 ATOM C CB . ILE T 26 40 ? 46.863 -95.122 -57.998 1.00 95.99 ? 40 ILE Z CB 1 ? ? +24571 ATOM C CG1 . ILE T 26 40 ? 45.504 -95.200 -57.260 1.00 94.88 ? 40 ILE Z CG1 1 ? ? +24572 ATOM C CG2 . ILE T 26 40 ? 47.432 -93.687 -58.036 1.00 96.01 ? 40 ILE Z CG2 1 ? ? +24573 ATOM C CD1 . ILE T 26 40 ? 45.557 -94.844 -55.741 1.00 94.50 ? 40 ILE Z CD1 1 ? ? +24574 ATOM C C . ILE T 26 40 ? 47.986 -95.416 -60.279 1.00 97.35 ? 40 ILE Z C 1 ? ? +24575 ATOM O O . ILE T 26 40 ? 47.961 -94.476 -61.069 1.00 98.03 ? 40 ILE Z O 1 ? ? +24576 ATOM N N . PHE T 26 41 ? 49.063 -96.193 -60.107 1.00 97.97 ? 41 PHE Z N 1 ? ? +24577 ATOM C CA . PHE T 26 41 ? 50.200 -96.117 -61.008 1.00 98.57 ? 41 PHE Z CA 1 ? ? +24578 ATOM C CB . PHE T 26 41 ? 51.256 -97.183 -60.660 1.00 102.22 ? 41 PHE Z CB 1 ? ? +24579 ATOM C CG . PHE T 26 41 ? 52.434 -96.663 -59.866 1.00 105.92 ? 41 PHE Z CG 1 ? ? +24580 ATOM C CD1 . PHE T 26 41 ? 53.463 -95.980 -60.496 1.00 107.54 ? 41 PHE Z CD1 1 ? ? +24581 ATOM C CD2 . PHE T 26 41 ? 52.516 -96.860 -58.488 1.00 107.89 ? 41 PHE Z CD2 1 ? ? +24582 ATOM C CE1 . PHE T 26 41 ? 54.559 -95.509 -59.770 1.00 109.33 ? 41 PHE Z CE1 1 ? ? +24583 ATOM C CE2 . PHE T 26 41 ? 53.608 -96.378 -57.764 1.00 109.36 ? 41 PHE Z CE2 1 ? ? +24584 ATOM C CZ . PHE T 26 41 ? 54.624 -95.709 -58.409 1.00 109.81 ? 41 PHE Z CZ 1 ? ? +24585 ATOM C C . PHE T 26 41 ? 49.722 -96.269 -62.450 1.00 95.97 ? 41 PHE Z C 1 ? ? +24586 ATOM O O . PHE T 26 41 ? 50.013 -95.427 -63.292 1.00 95.20 ? 41 PHE Z O 1 ? ? +24587 ATOM N N . LEU T 26 42 ? 48.968 -97.344 -62.706 1.00 94.26 ? 42 LEU Z N 1 ? ? +24588 ATOM C CA . LEU T 26 42 ? 48.424 -97.623 -64.024 1.00 93.14 ? 42 LEU Z CA 1 ? ? +24589 ATOM C CB . LEU T 26 42 ? 47.556 -98.888 -63.982 1.00 94.43 ? 42 LEU Z CB 1 ? ? +24590 ATOM C CG . LEU T 26 42 ? 47.219 -99.511 -65.343 1.00 95.33 ? 42 LEU Z CG 1 ? ? +24591 ATOM C CD1 . LEU T 26 42 ? 48.472 -100.005 -66.074 1.00 96.06 ? 42 LEU Z CD1 1 ? ? +24592 ATOM C CD2 . LEU T 26 42 ? 46.244 -100.674 -65.187 1.00 95.88 ? 42 LEU Z CD2 1 ? ? +24593 ATOM C C . LEU T 26 42 ? 47.590 -96.468 -64.567 1.00 90.54 ? 42 LEU Z C 1 ? ? +24594 ATOM O O . LEU T 26 42 ? 47.844 -95.989 -65.667 1.00 90.46 ? 42 LEU Z O 1 ? ? +24595 ATOM N N . GLY T 26 43 ? 46.581 -96.050 -63.799 1.00 88.11 ? 43 GLY Z N 1 ? ? +24596 ATOM C CA . GLY T 26 43 ? 45.688 -94.981 -64.211 1.00 86.03 ? 43 GLY Z CA 1 ? ? +24597 ATOM C C . GLY T 26 43 ? 46.462 -93.725 -64.581 1.00 84.62 ? 43 GLY Z C 1 ? ? +24598 ATOM O O . GLY T 26 43 ? 46.216 -93.139 -65.629 1.00 83.87 ? 43 GLY Z O 1 ? ? +24599 ATOM N N . SER T 26 44 ? 47.414 -93.355 -63.718 1.00 84.42 ? 44 SER Z N 1 ? ? +24600 ATOM C CA . SER T 26 44 ? 48.278 -92.205 -63.934 1.00 84.29 ? 44 SER Z CA 1 ? ? +24601 ATOM C CB . SER T 26 44 ? 49.290 -92.079 -62.795 1.00 84.99 ? 44 SER Z CB 1 ? ? +24602 ATOM O OG . SER T 26 44 ? 48.642 -91.885 -61.545 1.00 85.02 ? 44 SER Z OG 1 ? ? +24603 ATOM C C . SER T 26 44 ? 49.010 -92.256 -65.274 1.00 84.40 ? 44 SER Z C 1 ? ? +24604 ATOM O O . SER T 26 44 ? 48.901 -91.330 -66.074 1.00 83.96 ? 44 SER Z O 1 ? ? +24605 ATOM N N . GLY T 26 45 ? 49.750 -93.345 -65.513 1.00 85.00 ? 45 GLY Z N 1 ? ? +24606 ATOM C CA . GLY T 26 45 ? 50.424 -93.555 -66.786 1.00 85.35 ? 45 GLY Z CA 1 ? ? +24607 ATOM C C . GLY T 26 45 ? 49.478 -93.458 -67.982 1.00 84.70 ? 45 GLY Z C 1 ? ? +24608 ATOM O O . GLY T 26 45 ? 49.769 -92.778 -68.962 1.00 84.78 ? 45 GLY Z O 1 ? ? +24609 ATOM N N . LEU T 26 46 ? 48.334 -94.140 -67.879 1.00 84.37 ? 46 LEU Z N 1 ? ? +24610 ATOM C CA . LEU T 26 46 ? 47.343 -94.151 -68.939 1.00 84.15 ? 46 LEU Z CA 1 ? ? +24611 ATOM C CB . LEU T 26 46 ? 46.239 -95.166 -68.606 1.00 85.00 ? 46 LEU Z CB 1 ? ? +24612 ATOM C CG . LEU T 26 46 ? 45.396 -95.583 -69.807 1.00 85.67 ? 46 LEU Z CG 1 ? ? +24613 ATOM C CD1 . LEU T 26 46 ? 46.282 -96.157 -70.932 1.00 86.48 ? 46 LEU Z CD1 1 ? ? +24614 ATOM C CD2 . LEU T 26 46 ? 44.338 -96.586 -69.410 1.00 85.93 ? 46 LEU Z CD2 1 ? ? +24615 ATOM C C . LEU T 26 46 ? 46.748 -92.765 -69.192 1.00 82.34 ? 46 LEU Z C 1 ? ? +24616 ATOM O O . LEU T 26 46 ? 46.492 -92.400 -70.339 1.00 82.25 ? 46 LEU Z O 1 ? ? +24617 ATOM N N . TRP T 26 47 ? 46.543 -91.997 -68.114 1.00 80.53 ? 47 TRP Z N 1 ? ? +24618 ATOM C CA . TRP T 26 47 ? 46.029 -90.637 -68.203 1.00 78.64 ? 47 TRP Z CA 1 ? ? +24619 ATOM C CB . TRP T 26 47 ? 45.756 -90.091 -66.798 1.00 77.50 ? 47 TRP Z CB 1 ? ? +24620 ATOM C CG . TRP T 26 47 ? 44.970 -88.817 -66.755 1.00 76.05 ? 47 TRP Z CG 1 ? ? +24621 ATOM C CD1 . TRP T 26 47 ? 43.611 -88.685 -66.757 1.00 75.20 ? 47 TRP Z CD1 1 ? ? +24622 ATOM N NE1 . TRP T 26 47 ? 43.267 -87.358 -66.701 1.00 74.12 ? 47 TRP Z NE1 1 ? ? +24623 ATOM C CE2 . TRP T 26 47 ? 44.409 -86.603 -66.667 1.00 74.07 ? 47 TRP Z CE2 1 ? ? +24624 ATOM C CZ2 . TRP T 26 47 ? 44.576 -85.222 -66.617 1.00 73.37 ? 47 TRP Z CZ2 1 ? ? +24625 ATOM C CH2 . TRP T 26 47 ? 45.864 -84.740 -66.600 1.00 73.60 ? 47 TRP Z CH2 1 ? ? +24626 ATOM C CZ3 . TRP T 26 47 ? 46.969 -85.599 -66.624 1.00 74.40 ? 47 TRP Z CZ3 1 ? ? +24627 ATOM C CE3 . TRP T 26 47 ? 46.805 -86.969 -66.682 1.00 75.10 ? 47 TRP Z CE3 1 ? ? +24628 ATOM C CD2 . TRP T 26 47 ? 45.503 -87.492 -66.708 1.00 75.08 ? 47 TRP Z CD2 1 ? ? +24629 ATOM C C . TRP T 26 47 ? 46.999 -89.717 -68.940 1.00 78.36 ? 47 TRP Z C 1 ? ? +24630 ATOM O O . TRP T 26 47 ? 46.604 -88.998 -69.853 1.00 77.62 ? 47 TRP Z O 1 ? ? +24631 ATOM N N . ILE T 26 48 ? 48.275 -89.761 -68.533 1.00 78.82 ? 48 ILE Z N 1 ? ? +24632 ATOM C CA . ILE T 26 48 ? 49.335 -88.994 -69.170 1.00 78.58 ? 48 ILE Z CA 1 ? ? +24633 ATOM C CB . ILE T 26 48 ? 50.668 -89.191 -68.417 1.00 79.33 ? 48 ILE Z CB 1 ? ? +24634 ATOM C CG1 . ILE T 26 48 ? 50.573 -88.584 -66.998 1.00 79.00 ? 48 ILE Z CG1 1 ? ? +24635 ATOM C CG2 . ILE T 26 48 ? 51.865 -88.612 -69.203 1.00 79.66 ? 48 ILE Z CG2 1 ? ? +24636 ATOM C CD1 . ILE T 26 48 ? 51.867 -88.653 -66.198 1.00 79.75 ? 48 ILE Z CD1 1 ? ? +24637 ATOM C C . ILE T 26 48 ? 49.449 -89.375 -70.642 1.00 78.77 ? 48 ILE Z C 1 ? ? +24638 ATOM O O . ILE T 26 48 ? 49.604 -88.508 -71.498 1.00 78.75 ? 48 ILE Z O 1 ? ? +24639 ATOM N N . ALA T 26 49 ? 49.364 -90.680 -70.921 1.00 79.15 ? 49 ALA Z N 1 ? ? +24640 ATOM C CA . ALA T 26 49 ? 49.454 -91.191 -72.281 1.00 79.61 ? 49 ALA Z CA 1 ? ? +24641 ATOM C CB . ALA T 26 49 ? 49.421 -92.714 -72.278 1.00 80.44 ? 49 ALA Z CB 1 ? ? +24642 ATOM C C . ALA T 26 49 ? 48.344 -90.643 -73.178 1.00 78.84 ? 49 ALA Z C 1 ? ? +24643 ATOM O O . ALA T 26 49 ? 48.609 -90.196 -74.290 1.00 78.82 ? 49 ALA Z O 1 ? ? +24644 ATOM N N . LEU T 26 50 ? 47.102 -90.679 -72.684 1.00 78.13 ? 50 LEU Z N 1 ? ? +24645 ATOM C CA . LEU T 26 50 ? 45.967 -90.159 -73.430 1.00 77.49 ? 50 LEU Z CA 1 ? ? +24646 ATOM C CB . LEU T 26 50 ? 44.661 -90.448 -72.684 1.00 77.24 ? 50 LEU Z CB 1 ? ? +24647 ATOM C CG . LEU T 26 50 ? 44.203 -91.911 -72.650 1.00 77.94 ? 50 LEU Z CG 1 ? ? +24648 ATOM C CD1 . LEU T 26 50 ? 42.873 -92.018 -71.936 1.00 77.62 ? 50 LEU Z CD1 1 ? ? +24649 ATOM C CD2 . LEU T 26 50 ? 44.120 -92.522 -74.055 1.00 78.53 ? 50 LEU Z CD2 1 ? ? +24650 ATOM C C . LEU T 26 50 ? 46.084 -88.658 -73.682 1.00 76.61 ? 50 LEU Z C 1 ? ? +24651 ATOM O O . LEU T 26 50 ? 45.705 -88.179 -74.750 1.00 76.36 ? 50 LEU Z O 1 ? ? +24652 ATOM N N . VAL T 26 51 ? 46.603 -87.923 -72.689 1.00 76.17 ? 51 VAL Z N 1 ? ? +24653 ATOM C CA . VAL T 26 51 ? 46.807 -86.491 -72.828 1.00 75.69 ? 51 VAL Z CA 1 ? ? +24654 ATOM C CB . VAL T 26 51 ? 47.337 -85.815 -71.533 1.00 75.36 ? 51 VAL Z CB 1 ? ? +24655 ATOM C CG1 . VAL T 26 51 ? 47.744 -84.366 -71.794 1.00 74.89 ? 51 VAL Z CG1 1 ? ? +24656 ATOM C CG2 . VAL T 26 51 ? 46.315 -85.878 -70.402 1.00 74.85 ? 51 VAL Z CG2 1 ? ? +24657 ATOM C C . VAL T 26 51 ? 47.743 -86.233 -74.007 1.00 76.23 ? 51 VAL Z C 1 ? ? +24658 ATOM O O . VAL T 26 51 ? 47.430 -85.427 -74.877 1.00 76.28 ? 51 VAL Z O 1 ? ? +24659 ATOM N N . LEU T 26 52 ? 48.887 -86.924 -74.037 1.00 76.87 ? 52 LEU Z N 1 ? ? +24660 ATOM C CA . LEU T 26 52 ? 49.842 -86.754 -75.121 1.00 77.33 ? 52 LEU Z CA 1 ? ? +24661 ATOM C CB . LEU T 26 52 ? 51.133 -87.564 -74.865 1.00 78.29 ? 52 LEU Z CB 1 ? ? +24662 ATOM C CG . LEU T 26 52 ? 51.919 -87.218 -73.599 1.00 78.24 ? 52 LEU Z CG 1 ? ? +24663 ATOM C CD1 . LEU T 26 52 ? 53.031 -88.227 -73.363 1.00 79.17 ? 52 LEU Z CD1 1 ? ? +24664 ATOM C CD2 . LEU T 26 52 ? 52.484 -85.794 -73.653 1.00 77.76 ? 52 LEU Z CD2 1 ? ? +24665 ATOM C C . LEU T 26 52 ? 49.205 -87.156 -76.453 1.00 77.43 ? 52 LEU Z C 1 ? ? +24666 ATOM O O . LEU T 26 52 ? 49.351 -86.446 -77.445 1.00 77.30 ? 52 LEU Z O 1 ? ? +24667 ATOM N N . VAL T 26 53 ? 48.469 -88.277 -76.458 1.00 77.68 ? 53 VAL Z N 1 ? ? +24668 ATOM C CA . VAL T 26 53 ? 47.802 -88.768 -77.657 1.00 77.95 ? 53 VAL Z CA 1 ? ? +24669 ATOM C CB . VAL T 26 53 ? 47.113 -90.142 -77.390 1.00 78.38 ? 53 VAL Z CB 1 ? ? +24670 ATOM C CG1 . VAL T 26 53 ? 45.946 -90.401 -78.342 1.00 78.46 ? 53 VAL Z CG1 1 ? ? +24671 ATOM C CG2 . VAL T 26 53 ? 48.117 -91.284 -77.456 1.00 79.26 ? 53 VAL Z CG2 1 ? ? +24672 ATOM C C . VAL T 26 53 ? 46.825 -87.735 -78.222 1.00 77.28 ? 53 VAL Z C 1 ? ? +24673 ATOM O O . VAL T 26 53 ? 46.898 -87.399 -79.404 1.00 77.74 ? 53 VAL Z O 1 ? ? +24674 ATOM N N . VAL T 26 54 ? 45.917 -87.232 -77.374 1.00 76.27 ? 54 VAL Z N 1 ? ? +24675 ATOM C CA . VAL T 26 54 ? 45.008 -86.166 -77.768 1.00 75.48 ? 54 VAL Z CA 1 ? ? +24676 ATOM C CB . VAL T 26 54 ? 44.036 -85.801 -76.629 1.00 74.68 ? 54 VAL Z CB 1 ? ? +24677 ATOM C CG1 . VAL T 26 54 ? 43.264 -84.516 -76.944 1.00 73.90 ? 54 VAL Z CG1 1 ? ? +24678 ATOM C CG2 . VAL T 26 54 ? 43.081 -86.961 -76.341 1.00 74.96 ? 54 VAL Z CG2 1 ? ? +24679 ATOM C C . VAL T 26 54 ? 45.768 -84.928 -78.237 1.00 75.23 ? 54 VAL Z C 1 ? ? +24680 ATOM O O . VAL T 26 54 ? 45.380 -84.293 -79.214 1.00 75.24 ? 54 VAL Z O 1 ? ? +24681 ATOM N N . GLY T 26 55 ? 46.843 -84.592 -77.516 1.00 75.23 ? 55 GLY Z N 1 ? ? +24682 ATOM C CA . GLY T 26 55 ? 47.677 -83.444 -77.832 1.00 74.87 ? 55 GLY Z CA 1 ? ? +24683 ATOM C C . GLY T 26 55 ? 48.270 -83.488 -79.234 1.00 75.44 ? 55 GLY Z C 1 ? ? +24684 ATOM O O . GLY T 26 55 ? 48.342 -82.461 -79.891 1.00 75.00 ? 55 GLY Z O 1 ? ? +24685 ATOM N N . VAL T 26 56 ? 48.689 -84.682 -79.671 1.00 76.56 ? 56 VAL Z N 1 ? ? +24686 ATOM C CA . VAL T 26 56 ? 49.262 -84.866 -80.996 1.00 77.60 ? 56 VAL Z CA 1 ? ? +24687 ATOM C CB . VAL T 26 56 ? 50.191 -86.108 -81.055 1.00 78.20 ? 56 VAL Z CB 1 ? ? +24688 ATOM C CG1 . VAL T 26 56 ? 50.637 -86.408 -82.484 1.00 78.88 ? 56 VAL Z CG1 1 ? ? +24689 ATOM C CG2 . VAL T 26 56 ? 51.392 -85.934 -80.131 1.00 78.08 ? 56 VAL Z CG2 1 ? ? +24690 ATOM C C . VAL T 26 56 ? 48.147 -84.941 -82.038 1.00 78.19 ? 56 VAL Z C 1 ? ? +24691 ATOM O O . VAL T 26 56 ? 48.259 -84.328 -83.099 1.00 78.35 ? 56 VAL Z O 1 ? ? +24692 ATOM N N . LEU T 26 57 ? 47.073 -85.679 -81.717 1.00 78.75 ? 57 LEU Z N 1 ? ? +24693 ATOM C CA . LEU T 26 57 ? 45.939 -85.816 -82.619 1.00 79.26 ? 57 LEU Z CA 1 ? ? +24694 ATOM C CB . LEU T 26 57 ? 44.960 -86.874 -82.111 1.00 79.50 ? 57 LEU Z CB 1 ? ? +24695 ATOM C CG . LEU T 26 57 ? 45.449 -88.318 -82.242 1.00 80.54 ? 57 LEU Z CG 1 ? ? +24696 ATOM C CD1 . LEU T 26 57 ? 44.310 -89.277 -82.069 1.00 80.82 ? 57 LEU Z CD1 1 ? ? +24697 ATOM C CD2 . LEU T 26 57 ? 46.153 -88.586 -83.589 1.00 81.07 ? 57 LEU Z CD2 1 ? ? +24698 ATOM C C . LEU T 26 57 ? 45.181 -84.515 -82.862 1.00 78.75 ? 57 LEU Z C 1 ? ? +24699 ATOM O O . LEU T 26 57 ? 44.497 -84.399 -83.870 1.00 78.83 ? 57 LEU Z O 1 ? ? +24700 ATOM N N . ASN T 26 58 ? 45.315 -83.543 -81.952 1.00 78.53 ? 58 ASN Z N 1 ? ? +24701 ATOM C CA . ASN T 26 58 ? 44.792 -82.202 -82.161 1.00 78.32 ? 58 ASN Z CA 1 ? ? +24702 ATOM C CB . ASN T 26 58 ? 45.283 -81.252 -81.049 1.00 77.47 ? 58 ASN Z CB 1 ? ? +24703 ATOM C CG . ASN T 26 58 ? 44.974 -79.789 -81.298 1.00 76.61 ? 58 ASN Z CG 1 ? ? +24704 ATOM O OD1 . ASN T 26 58 ? 45.820 -79.017 -81.796 1.00 76.56 ? 58 ASN Z OD1 1 ? ? +24705 ATOM N ND2 . ASN T 26 58 ? 43.751 -79.390 -81.003 1.00 75.76 ? 58 ASN Z ND2 1 ? ? +24706 ATOM C C . ASN T 26 58 ? 45.168 -81.635 -83.529 1.00 79.41 ? 58 ASN Z C 1 ? ? +24707 ATOM O O . ASN T 26 58 ? 44.331 -81.016 -84.190 1.00 79.32 ? 58 ASN Z O 1 ? ? +24708 ATOM N N . PHE T 26 59 ? 46.427 -81.823 -83.944 1.00 80.84 ? 59 PHE Z N 1 ? ? +24709 ATOM C CA . PHE T 26 59 ? 46.931 -81.124 -85.117 1.00 81.91 ? 59 PHE Z CA 1 ? ? +24710 ATOM C CB . PHE T 26 59 ? 48.466 -80.979 -85.026 1.00 81.99 ? 59 PHE Z CB 1 ? ? +24711 ATOM C CG . PHE T 26 59 ? 48.832 -80.087 -83.866 1.00 81.25 ? 59 PHE Z CG 1 ? ? +24712 ATOM C CD1 . PHE T 26 59 ? 48.988 -80.606 -82.597 1.00 81.05 ? 59 PHE Z CD1 1 ? ? +24713 ATOM C CD2 . PHE T 26 59 ? 48.934 -78.714 -84.030 1.00 80.71 ? 59 PHE Z CD2 1 ? ? +24714 ATOM C CE1 . PHE T 26 59 ? 49.291 -79.775 -81.519 1.00 80.50 ? 59 PHE Z CE1 1 ? ? +24715 ATOM C CE2 . PHE T 26 59 ? 49.232 -77.889 -82.953 1.00 80.11 ? 59 PHE Z CE2 1 ? ? +24716 ATOM C CZ . PHE T 26 59 ? 49.407 -78.424 -81.704 1.00 80.11 ? 59 PHE Z CZ 1 ? ? +24717 ATOM C C . PHE T 26 59 ? 46.494 -81.752 -86.441 1.00 83.55 ? 59 PHE Z C 1 ? ? +24718 ATOM O O . PHE T 26 59 ? 46.782 -81.198 -87.496 1.00 84.49 ? 59 PHE Z O 1 ? ? +24719 ATOM N N . PHE T 26 60 ? 45.773 -82.880 -86.374 1.00 84.61 ? 60 PHE Z N 1 ? ? +24720 ATOM C CA . PHE T 26 60 ? 45.245 -83.550 -87.550 1.00 85.88 ? 60 PHE Z CA 1 ? ? +24721 ATOM C CB . PHE T 26 60 ? 45.556 -85.044 -87.456 1.00 87.10 ? 60 PHE Z CB 1 ? ? +24722 ATOM C CG . PHE T 26 60 ? 47.029 -85.394 -87.393 1.00 88.20 ? 60 PHE Z CG 1 ? ? +24723 ATOM C CD1 . PHE T 26 60 ? 47.854 -85.189 -88.486 1.00 89.33 ? 60 PHE Z CD1 1 ? ? +24724 ATOM C CD2 . PHE T 26 60 ? 47.586 -85.924 -86.241 1.00 88.29 ? 60 PHE Z CD2 1 ? ? +24725 ATOM C CE1 . PHE T 26 60 ? 49.216 -85.521 -88.429 1.00 90.12 ? 60 PHE Z CE1 1 ? ? +24726 ATOM C CE2 . PHE T 26 60 ? 48.941 -86.246 -86.184 1.00 89.54 ? 60 PHE Z CE2 1 ? ? +24727 ATOM C CZ . PHE T 26 60 ? 49.749 -86.044 -87.279 1.00 90.10 ? 60 PHE Z CZ 1 ? ? +24728 ATOM C C . PHE T 26 60 ? 43.740 -83.359 -87.739 1.00 85.73 ? 60 PHE Z C 1 ? ? +24729 ATOM O O . PHE T 26 60 ? 43.188 -83.862 -88.712 1.00 86.18 ? 60 PHE Z O 1 ? ? +24730 ATOM N N . VAL T 26 61 ? 43.093 -82.631 -86.817 1.00 85.28 ? 61 VAL Z N 1 ? ? +24731 ATOM C CA . VAL T 26 61 ? 41.659 -82.375 -86.881 1.00 85.39 ? 61 VAL Z CA 1 ? ? +24732 ATOM C CB . VAL T 26 61 ? 40.899 -83.168 -85.782 1.00 84.74 ? 61 VAL Z CB 1 ? ? +24733 ATOM C CG1 . VAL T 26 61 ? 41.333 -84.631 -85.753 1.00 85.36 ? 61 VAL Z CG1 1 ? ? +24734 ATOM C CG2 . VAL T 26 61 ? 41.046 -82.529 -84.398 1.00 84.26 ? 61 VAL Z CG2 1 ? ? +24735 ATOM C C . VAL T 26 61 ? 41.319 -80.886 -86.797 1.00 86.03 ? 61 VAL Z C 1 ? ? +24736 ATOM O O . VAL T 26 61 ? 40.154 -80.504 -86.897 1.00 85.55 ? 61 VAL Z O 1 ? ? +24737 ATOM N N . VAL T 26 62 ? 42.348 -80.045 -86.624 1.00 87.27 ? 62 VAL Z N 1 ? ? +24738 ATOM C CA . VAL T 26 62 ? 42.185 -78.608 -86.461 1.00 87.21 ? 62 VAL Z CA 1 ? ? +24739 ATOM C CB . VAL T 26 62 ? 42.748 -78.130 -85.088 1.00 87.59 ? 62 VAL Z CB 1 ? ? +24740 ATOM C CG1 . VAL T 26 62 ? 43.302 -76.699 -85.144 1.00 87.98 ? 62 VAL Z CG1 1 ? ? +24741 ATOM C CG2 . VAL T 26 62 ? 41.695 -78.262 -83.994 1.00 86.85 ? 62 VAL Z CG2 1 ? ? +24742 ATOM C C . VAL T 26 62 ? 42.815 -77.858 -87.636 1.00 88.16 ? 62 VAL Z C 1 ? ? +24743 ATOM O O . VAL T 26 62 ? 43.820 -78.278 -88.227 1.00 90.40 ? 62 VAL Z O 1 ? ? +24744 ATOM O OXT . VAL T 26 62 ? 42.308 -76.803 -87.986 1.00 87.68 ? 62 VAL Z OXT 1 ? ? +24745 ATOM N N . ALA U 1 1 ? -22.388 -19.916 24.867 1.00 115.01 ? 11 ALA a N 1 ? ? +24746 ATOM C CA . ALA U 1 1 ? -22.941 -21.162 24.340 1.00 114.43 ? 11 ALA a CA 1 ? ? +24747 ATOM C CB . ALA U 1 1 ? -23.709 -21.902 25.431 1.00 116.07 ? 11 ALA a CB 1 ? ? +24748 ATOM C C . ALA U 1 1 ? -23.823 -20.921 23.113 1.00 112.40 ? 11 ALA a C 1 ? ? +24749 ATOM O O . ALA U 1 1 ? -23.727 -21.684 22.151 1.00 112.50 ? 11 ALA a O 1 ? ? +24750 ATOM N N . ASN U 1 2 ? -24.648 -19.854 23.149 1.00 106.64 ? 12 ASN a N 1 ? ? +24751 ATOM C CA . ASN U 1 2 ? -25.445 -19.432 22.005 1.00 101.64 ? 12 ASN a CA 1 ? ? +24752 ATOM C CB . ASN U 1 2 ? -26.466 -18.368 22.413 1.00 101.79 ? 12 ASN a CB 1 ? ? +24753 ATOM C CG . ASN U 1 2 ? -25.843 -17.011 22.582 1.00 100.67 ? 12 ASN a CG 1 ? ? +24754 ATOM O OD1 . ASN U 1 2 ? -24.930 -16.833 23.384 1.00 99.96 ? 12 ASN a OD1 1 ? ? +24755 ATOM N ND2 . ASN U 1 2 ? -26.303 -16.025 21.827 1.00 100.20 ? 12 ASN a ND2 1 ? ? +24756 ATOM C C . ASN U 1 2 ? -24.579 -18.896 20.861 1.00 98.21 ? 12 ASN a C 1 ? ? +24757 ATOM O O . ASN U 1 2 ? -23.381 -18.635 21.027 1.00 97.60 ? 12 ASN a O 1 ? ? +24758 ATOM N N . LEU U 1 3 ? -25.215 -18.713 19.699 1.00 93.82 ? 13 LEU a N 1 ? ? +24759 ATOM C CA . LEU U 1 3 ? -24.497 -18.507 18.449 1.00 87.91 ? 13 LEU a CA 1 ? ? +24760 ATOM C CB . LEU U 1 3 ? -25.476 -18.623 17.259 1.00 89.12 ? 13 LEU a CB 1 ? ? +24761 ATOM C CG . LEU U 1 3 ? -25.313 -19.852 16.376 1.00 89.47 ? 13 LEU a CG 1 ? ? +24762 ATOM C CD1 . LEU U 1 3 ? -23.882 -20.021 15.973 1.00 88.62 ? 13 LEU a CD1 1 ? ? +24763 ATOM C CD2 . LEU U 1 3 ? -25.844 -21.092 17.066 1.00 91.31 ? 13 LEU a CD2 1 ? ? +24764 ATOM C C . LEU U 1 3 ? -23.759 -17.173 18.367 1.00 82.82 ? 13 LEU a C 1 ? ? +24765 ATOM O O . LEU U 1 3 ? -22.623 -17.112 17.889 1.00 80.13 ? 13 LEU a O 1 ? ? +24766 ATOM N N . TRP U 1 4 ? -24.423 -16.104 18.824 1.00 79.30 ? 14 TRP a N 1 ? ? +24767 ATOM C CA . TRP U 1 4 ? -23.806 -14.792 18.839 1.00 76.63 ? 14 TRP a CA 1 ? ? +24768 ATOM C CB . TRP U 1 4 ? -24.769 -13.720 19.375 1.00 74.81 ? 14 TRP a CB 1 ? ? +24769 ATOM C CG . TRP U 1 4 ? -24.206 -12.333 19.355 1.00 72.69 ? 14 TRP a CG 1 ? ? +24770 ATOM C CD1 . TRP U 1 4 ? -24.013 -11.515 20.423 1.00 72.34 ? 14 TRP a CD1 1 ? ? +24771 ATOM N NE1 . TRP U 1 4 ? -23.485 -10.318 20.014 1.00 71.18 ? 14 TRP a NE1 1 ? ? +24772 ATOM C CE2 . TRP U 1 4 ? -23.313 -10.351 18.658 1.00 70.63 ? 14 TRP a CE2 1 ? ? +24773 ATOM C CZ2 . TRP U 1 4 ? -22.797 -9.393 17.789 1.00 70.20 ? 14 TRP a CZ2 1 ? ? +24774 ATOM C CH2 . TRP U 1 4 ? -22.736 -9.714 16.457 1.00 69.71 ? 14 TRP a CH2 1 ? ? +24775 ATOM C CZ3 . TRP U 1 4 ? -23.182 -10.949 15.982 1.00 69.87 ? 14 TRP a CZ3 1 ? ? +24776 ATOM C CE3 . TRP U 1 4 ? -23.688 -11.900 16.841 1.00 70.43 ? 14 TRP a CE3 1 ? ? +24777 ATOM C CD2 . TRP U 1 4 ? -23.757 -11.608 18.209 1.00 71.09 ? 14 TRP a CD2 1 ? ? +24778 ATOM C C . TRP U 1 4 ? -22.509 -14.824 19.649 1.00 76.83 ? 14 TRP a C 1 ? ? +24779 ATOM O O . TRP U 1 4 ? -21.484 -14.330 19.188 1.00 74.36 ? 14 TRP a O 1 ? ? +24780 ATOM N N . GLU U 1 5 ? -22.568 -15.420 20.846 1.00 78.65 ? 15 GLU a N 1 ? ? +24781 ATOM C CA . GLU U 1 5 ? -21.439 -15.421 21.765 1.00 80.25 ? 15 GLU a CA 1 ? ? +24782 ATOM C CB . GLU U 1 5 ? -21.838 -16.034 23.127 1.00 84.52 ? 15 GLU a CB 1 ? ? +24783 ATOM C CG . GLU U 1 5 ? -21.190 -15.396 24.350 1.00 87.98 ? 15 GLU a CG 1 ? ? +24784 ATOM C CD . GLU U 1 5 ? -21.569 -16.053 25.669 1.00 92.10 ? 15 GLU a CD 1 ? ? +24785 ATOM O OE1 . GLU U 1 5 ? -21.154 -17.215 25.894 1.00 95.51 ? 15 GLU a OE1 1 ? ? +24786 ATOM O OE2 . GLU U 1 5 ? -22.291 -15.414 26.472 1.00 93.96 ? 15 GLU a OE2 1 ? ? +24787 ATOM C C . GLU U 1 5 ? -20.250 -16.180 21.178 1.00 78.32 ? 15 GLU a C 1 ? ? +24788 ATOM O O . GLU U 1 5 ? -19.099 -15.795 21.381 1.00 76.55 ? 15 GLU a O 1 ? ? +24789 ATOM N N . ARG U 1 6 ? -20.540 -17.262 20.447 1.00 77.49 ? 16 ARG a N 1 ? ? +24790 ATOM C CA . ARG U 1 6 ? -19.503 -18.043 19.793 1.00 75.77 ? 16 ARG a CA 1 ? ? +24791 ATOM C CB . ARG U 1 6 ? -20.068 -19.362 19.249 1.00 78.20 ? 16 ARG a CB 1 ? ? +24792 ATOM C CG . ARG U 1 6 ? -20.474 -20.367 20.338 1.00 82.06 ? 16 ARG a CG 1 ? ? +24793 ATOM C CD . ARG U 1 6 ? -20.783 -21.741 19.748 1.00 85.31 ? 16 ARG a CD 1 ? ? +24794 ATOM N NE . ARG U 1 6 ? -19.585 -22.315 19.139 1.00 87.80 ? 16 ARG a NE 1 ? ? +24795 ATOM C CZ . ARG U 1 6 ? -19.567 -23.313 18.258 1.00 90.32 ? 16 ARG a CZ 1 ? ? +24796 ATOM N NH1 . ARG U 1 6 ? -20.685 -23.890 17.838 1.00 91.46 ? 16 ARG a NH1 1 ? ? +24797 ATOM N NH2 . ARG U 1 6 ? -18.397 -23.726 17.773 1.00 89.57 ? 16 ARG a NH2 1 ? ? +24798 ATOM C C . ARG U 1 6 ? -18.860 -17.255 18.657 1.00 72.23 ? 16 ARG a C 1 ? ? +24799 ATOM O O . ARG U 1 6 ? -17.651 -17.312 18.460 1.00 72.07 ? 16 ARG a O 1 ? ? +24800 ATOM N N . PHE U 1 7 ? -19.690 -16.540 17.897 1.00 70.13 ? 17 PHE a N 1 ? ? +24801 ATOM C CA . PHE U 1 7 ? -19.215 -15.695 16.815 1.00 67.49 ? 17 PHE a CA 1 ? ? +24802 ATOM C CB . PHE U 1 7 ? -20.412 -15.101 16.029 1.00 66.94 ? 17 PHE a CB 1 ? ? +24803 ATOM C CG . PHE U 1 7 ? -19.996 -14.263 14.848 1.00 65.60 ? 17 PHE a CG 1 ? ? +24804 ATOM C CD1 . PHE U 1 7 ? -19.395 -14.842 13.744 1.00 64.70 ? 17 PHE a CD1 1 ? ? +24805 ATOM C CD2 . PHE U 1 7 ? -20.161 -12.892 14.860 1.00 65.27 ? 17 PHE a CD2 1 ? ? +24806 ATOM C CE1 . PHE U 1 7 ? -18.979 -14.064 12.676 1.00 63.77 ? 17 PHE a CE1 1 ? ? +24807 ATOM C CE2 . PHE U 1 7 ? -19.755 -12.117 13.782 1.00 64.37 ? 17 PHE a CE2 1 ? ? +24808 ATOM C CZ . PHE U 1 7 ? -19.168 -12.709 12.698 1.00 63.64 ? 17 PHE a CZ 1 ? ? +24809 ATOM C C . PHE U 1 7 ? -18.312 -14.586 17.354 1.00 66.14 ? 17 PHE a C 1 ? ? +24810 ATOM O O . PHE U 1 7 ? -17.263 -14.308 16.778 1.00 64.93 ? 17 PHE a O 1 ? ? +24811 ATOM N N . CYS U 1 8 ? -18.746 -13.956 18.453 1.00 65.77 ? 18 CYS a N 1 ? ? +24812 ATOM C CA . CYS U 1 8 ? -18.004 -12.875 19.084 1.00 65.03 ? 18 CYS a CA 1 ? ? +24813 ATOM C CB . CYS U 1 8 ? -18.799 -12.262 20.233 1.00 65.74 ? 18 CYS a CB 1 ? ? +24814 ATOM S SG . CYS U 1 8 ? -20.178 -11.215 19.712 1.00 65.86 ? 18 CYS a SG 1 ? ? +24815 ATOM C C . CYS U 1 8 ? -16.647 -13.368 19.570 1.00 64.20 ? 18 CYS a C 1 ? ? +24816 ATOM O O . CYS U 1 8 ? -15.646 -12.681 19.420 1.00 63.43 ? 18 CYS a O 1 ? ? +24817 ATOM N N . ASN U 1 9 ? -16.641 -14.561 20.168 1.00 64.35 ? 19 ASN a N 1 ? ? +24818 ATOM C CA . ASN U 1 9 ? -15.415 -15.184 20.633 1.00 63.90 ? 19 ASN a CA 1 ? ? +24819 ATOM C CB . ASN U 1 9 ? -15.725 -16.445 21.432 1.00 64.82 ? 19 ASN a CB 1 ? ? +24820 ATOM C CG . ASN U 1 9 ? -16.151 -16.138 22.852 1.00 65.96 ? 19 ASN a CG 1 ? ? +24821 ATOM O OD1 . ASN U 1 9 ? -15.873 -15.059 23.390 1.00 66.38 ? 19 ASN a OD1 1 ? ? +24822 ATOM N ND2 . ASN U 1 9 ? -16.830 -17.070 23.510 1.00 66.82 ? 19 ASN a ND2 1 ? ? +24823 ATOM C C . ASN U 1 9 ? -14.447 -15.512 19.503 1.00 62.60 ? 19 ASN a C 1 ? ? +24824 ATOM O O . ASN U 1 9 ? -13.237 -15.419 19.700 1.00 62.38 ? 19 ASN a O 1 ? ? +24825 ATOM N N . TRP U 1 10 ? -14.984 -15.908 18.341 1.00 61.82 ? 20 TRP a N 1 ? ? +24826 ATOM C CA . TRP U 1 10 ? -14.166 -16.211 17.176 1.00 60.77 ? 20 TRP a CA 1 ? ? +24827 ATOM C CB . TRP U 1 10 ? -14.941 -16.995 16.094 1.00 60.54 ? 20 TRP a CB 1 ? ? +24828 ATOM C CG . TRP U 1 10 ? -14.095 -17.219 14.885 1.00 59.75 ? 20 TRP a CG 1 ? ? +24829 ATOM C CD1 . TRP U 1 10 ? -13.086 -18.126 14.747 1.00 59.42 ? 20 TRP a CD1 1 ? ? +24830 ATOM N NE1 . TRP U 1 10 ? -12.483 -17.983 13.517 1.00 58.54 ? 20 TRP a NE1 1 ? ? +24831 ATOM C CE2 . TRP U 1 10 ? -13.065 -16.940 12.851 1.00 58.47 ? 20 TRP a CE2 1 ? ? +24832 ATOM C CZ2 . TRP U 1 10 ? -12.805 -16.422 11.586 1.00 57.88 ? 20 TRP a CZ2 1 ? ? +24833 ATOM C CH2 . TRP U 1 10 ? -13.559 -15.352 11.176 1.00 58.00 ? 20 TRP a CH2 1 ? ? +24834 ATOM C CZ3 . TRP U 1 10 ? -14.580 -14.820 11.981 1.00 58.69 ? 20 TRP a CZ3 1 ? ? +24835 ATOM C CE3 . TRP U 1 10 ? -14.851 -15.341 13.231 1.00 59.26 ? 20 TRP a CE3 1 ? ? +24836 ATOM C CD2 . TRP U 1 10 ? -14.085 -16.426 13.687 1.00 59.32 ? 20 TRP a CD2 1 ? ? +24837 ATOM C C . TRP U 1 10 ? -13.569 -14.939 16.570 1.00 60.22 ? 20 TRP a C 1 ? ? +24838 ATOM O O . TRP U 1 10 ? -12.374 -14.904 16.249 1.00 59.91 ? 20 TRP a O 1 ? ? +24839 ATOM N N . VAL U 1 11 ? -14.409 -13.906 16.410 1.00 59.97 ? 21 VAL a N 1 ? ? +24840 ATOM C CA . VAL U 1 11 ? -13.996 -12.630 15.846 1.00 59.30 ? 21 VAL a CA 1 ? ? +24841 ATOM C CB . VAL U 1 11 ? -15.214 -11.673 15.722 1.00 59.71 ? 21 VAL a CB 1 ? ? +24842 ATOM C CG1 . VAL U 1 11 ? -14.785 -10.232 15.443 1.00 59.38 ? 21 VAL a CG1 1 ? ? +24843 ATOM C CG2 . VAL U 1 11 ? -16.174 -12.154 14.650 1.00 59.80 ? 21 VAL a CG2 1 ? ? +24844 ATOM C C . VAL U 1 11 ? -12.877 -11.966 16.644 1.00 58.95 ? 21 VAL a C 1 ? ? +24845 ATOM O O . VAL U 1 11 ? -11.977 -11.371 16.067 1.00 58.35 ? 21 VAL a O 1 ? ? +24846 ATOM N N . THR U 1 12 ? -12.966 -12.040 17.975 1.00 59.49 ? 22 THR a N 1 ? ? +24847 ATOM C CA . THR U 1 12 ? -11.984 -11.420 18.849 1.00 59.48 ? 22 THR a CA 1 ? ? +24848 ATOM C CB . THR U 1 12 ? -12.674 -10.783 20.053 1.00 60.07 ? 22 THR a CB 1 ? ? +24849 ATOM O OG1 . THR U 1 12 ? -13.338 -11.792 20.782 1.00 60.58 ? 22 THR a OG1 1 ? ? +24850 ATOM C CG2 . THR U 1 12 ? -13.659 -9.705 19.656 1.00 60.18 ? 22 THR a CG2 1 ? ? +24851 ATOM C C . THR U 1 12 ? -10.920 -12.394 19.349 1.00 59.62 ? 22 THR a C 1 ? ? +24852 ATOM O O . THR U 1 12 ? -10.199 -12.073 20.285 1.00 59.90 ? 22 THR a O 1 ? ? +24853 ATOM N N . SER U 1 13 ? -10.831 -13.587 18.746 1.00 59.55 ? 23 SER a N 1 ? ? +24854 ATOM C CA . SER U 1 13 ? -9.876 -14.587 19.187 1.00 59.83 ? 23 SER a CA 1 ? ? +24855 ATOM C CB . SER U 1 13 ? -10.156 -15.942 18.550 1.00 59.83 ? 23 SER a CB 1 ? ? +24856 ATOM O OG . SER U 1 13 ? -9.052 -16.828 18.704 1.00 59.63 ? 23 SER a OG 1 ? ? +24857 ATOM C C . SER U 1 13 ? -8.437 -14.185 18.880 1.00 59.60 ? 23 SER a C 1 ? ? +24858 ATOM O O . SER U 1 13 ? -8.119 -13.771 17.765 1.00 59.24 ? 23 SER a O 1 ? ? +24859 ATOM N N . THR U 1 14 ? -7.582 -14.341 19.895 1.00 60.12 ? 24 THR a N 1 ? ? +24860 ATOM C CA . THR U 1 14 ? -6.153 -14.118 19.775 1.00 59.85 ? 24 THR a CA 1 ? ? +24861 ATOM C CB . THR U 1 14 ? -5.574 -13.713 21.132 1.00 60.30 ? 24 THR a CB 1 ? ? +24862 ATOM O OG1 . THR U 1 14 ? -5.771 -14.758 22.085 1.00 60.78 ? 24 THR a OG1 1 ? ? +24863 ATOM C CG2 . THR U 1 14 ? -6.195 -12.439 21.666 1.00 60.62 ? 24 THR a CG2 1 ? ? +24864 ATOM C C . THR U 1 14 ? -5.421 -15.344 19.237 1.00 59.89 ? 24 THR a C 1 ? ? +24865 ATOM O O . THR U 1 14 ? -4.197 -15.326 19.138 1.00 59.47 ? 24 THR a O 1 ? ? +24866 ATOM N N . ASP U 1 15 ? -6.169 -16.393 18.868 1.00 60.52 ? 25 ASP a N 1 ? ? +24867 ATOM C CA . ASP U 1 15 ? -5.584 -17.609 18.316 1.00 60.43 ? 25 ASP a CA 1 ? ? +24868 ATOM C CB . ASP U 1 15 ? -6.265 -18.847 18.923 1.00 61.54 ? 25 ASP a CB 1 ? ? +24869 ATOM C CG . ASP U 1 15 ? -6.111 -18.983 20.422 1.00 62.88 ? 25 ASP a CG 1 ? ? +24870 ATOM O OD1 . ASP U 1 15 ? -5.128 -18.407 20.983 1.00 63.27 ? 25 ASP a OD1 1 ? ? +24871 ATOM O OD2 . ASP U 1 15 ? -6.985 -19.639 21.047 1.00 63.89 ? 25 ASP a OD2 1 ? ? +24872 ATOM C C . ASP U 1 15 ? -5.682 -17.719 16.796 1.00 59.52 ? 25 ASP a C 1 ? ? +24873 ATOM O O . ASP U 1 15 ? -5.240 -18.709 16.226 1.00 59.40 ? 25 ASP a O 1 ? ? +24874 ATOM N N . ASN U 1 16 ? -6.287 -16.725 16.135 1.00 59.08 ? 26 ASN a N 1 ? ? +24875 ATOM C CA . ASN U 1 16 ? -6.351 -16.727 14.683 1.00 58.11 ? 26 ASN a CA 1 ? ? +24876 ATOM C CB . ASN U 1 16 ? -7.481 -15.855 14.170 1.00 58.27 ? 26 ASN a CB 1 ? ? +24877 ATOM C CG . ASN U 1 16 ? -8.841 -16.457 14.393 1.00 59.20 ? 26 ASN a CG 1 ? ? +24878 ATOM O OD1 . ASN U 1 16 ? -9.786 -15.785 14.844 1.00 60.21 ? 26 ASN a OD1 1 ? ? +24879 ATOM N ND2 . ASN U 1 16 ? -9.001 -17.730 14.051 1.00 59.31 ? 26 ASN a ND2 1 ? ? +24880 ATOM C C . ASN U 1 16 ? -5.003 -16.275 14.126 1.00 57.09 ? 26 ASN a C 1 ? ? +24881 ATOM O O . ASN U 1 16 ? -4.346 -15.409 14.694 1.00 57.09 ? 26 ASN a O 1 ? ? +24882 ATOM N N . ARG U 1 17 ? -4.592 -16.889 13.014 1.00 56.00 ? 27 ARG a N 1 ? ? +24883 ATOM C CA . ARG U 1 17 ? -3.300 -16.615 12.421 1.00 55.05 ? 27 ARG a CA 1 ? ? +24884 ATOM C CB . ARG U 1 17 ? -3.083 -17.528 11.206 1.00 54.53 ? 27 ARG a CB 1 ? ? +24885 ATOM C CG . ARG U 1 17 ? -1.766 -17.296 10.488 1.00 53.81 ? 27 ARG a CG 1 ? ? +24886 ATOM C CD . ARG U 1 17 ? -0.594 -17.339 11.396 1.00 53.89 ? 27 ARG a CD 1 ? ? +24887 ATOM N NE . ARG U 1 17 ? 0.616 -17.084 10.628 1.00 53.63 ? 27 ARG a NE 1 ? ? +24888 ATOM C CZ . ARG U 1 17 ? 1.144 -15.882 10.428 1.00 53.33 ? 27 ARG a CZ 1 ? ? +24889 ATOM N NH1 . ARG U 1 17 ? 0.590 -14.790 10.934 1.00 53.62 ? 27 ARG a NH1 1 ? ? +24890 ATOM N NH2 . ARG U 1 17 ? 2.235 -15.769 9.676 1.00 52.78 ? 27 ARG a NH2 1 ? ? +24891 ATOM C C . ARG U 1 17 ? -3.212 -15.140 12.044 1.00 54.48 ? 27 ARG a C 1 ? ? +24892 ATOM O O . ARG U 1 17 ? -2.155 -14.522 12.169 1.00 53.75 ? 27 ARG a O 1 ? ? +24893 ATOM N N . LEU U 1 18 ? -4.351 -14.601 11.582 1.00 54.21 ? 28 LEU a N 1 ? ? +24894 ATOM C CA . LEU U 1 18 ? -4.524 -13.172 11.393 1.00 53.82 ? 28 LEU a CA 1 ? ? +24895 ATOM C CB . LEU U 1 18 ? -4.793 -12.853 9.925 1.00 53.35 ? 28 LEU a CB 1 ? ? +24896 ATOM C CG . LEU U 1 18 ? -3.673 -13.220 8.955 1.00 52.89 ? 28 LEU a CG 1 ? ? +24897 ATOM C CD1 . LEU U 1 18 ? -4.052 -12.932 7.551 1.00 52.58 ? 28 LEU a CD1 1 ? ? +24898 ATOM C CD2 . LEU U 1 18 ? -2.404 -12.460 9.250 1.00 52.75 ? 28 LEU a CD2 1 ? ? +24899 ATOM C C . LEU U 1 18 ? -5.687 -12.735 12.270 1.00 54.14 ? 28 LEU a C 1 ? ? +24900 ATOM O O . LEU U 1 18 ? -6.758 -13.336 12.211 1.00 54.90 ? 28 LEU a O 1 ? ? +24901 ATOM N N . TYR U 1 19 ? -5.467 -11.707 13.095 1.00 53.87 ? 29 TYR a N 1 ? ? +24902 ATOM C CA . TYR U 1 19 ? -6.511 -11.203 13.969 1.00 54.02 ? 29 TYR a CA 1 ? ? +24903 ATOM C CB . TYR U 1 19 ? -5.957 -10.191 14.988 1.00 54.17 ? 29 TYR a CB 1 ? ? +24904 ATOM C CG . TYR U 1 19 ? -6.999 -9.700 15.960 1.00 54.70 ? 29 TYR a CG 1 ? ? +24905 ATOM C CD1 . TYR U 1 19 ? -7.496 -10.529 16.955 1.00 55.30 ? 29 TYR a CD1 1 ? ? +24906 ATOM C CD2 . TYR U 1 19 ? -7.521 -8.422 15.860 1.00 54.69 ? 29 TYR a CD2 1 ? ? +24907 ATOM C CE1 . TYR U 1 19 ? -8.486 -10.095 17.832 1.00 55.86 ? 29 TYR a CE1 1 ? ? +24908 ATOM C CE2 . TYR U 1 19 ? -8.504 -7.971 16.743 1.00 55.24 ? 29 TYR a CE2 1 ? ? +24909 ATOM C CZ . TYR U 1 19 ? -8.991 -8.814 17.723 1.00 55.79 ? 29 TYR a CZ 1 ? ? +24910 ATOM O OH . TYR U 1 19 ? -9.972 -8.402 18.597 1.00 56.40 ? 29 TYR a OH 1 ? ? +24911 ATOM C C . TYR U 1 19 ? -7.582 -10.567 13.087 1.00 53.67 ? 29 TYR a C 1 ? ? +24912 ATOM O O . TYR U 1 19 ? -7.263 -9.813 12.173 1.00 53.18 ? 29 TYR a O 1 ? ? +24913 ATOM N N . VAL U 1 20 ? -8.848 -10.907 13.349 1.00 53.85 ? 30 VAL a N 1 ? ? +24914 ATOM C CA . VAL U 1 20 ? -9.971 -10.262 12.697 1.00 53.63 ? 30 VAL a CA 1 ? ? +24915 ATOM C CB . VAL U 1 20 ? -11.145 -11.286 12.514 1.00 54.06 ? 30 VAL a CB 1 ? ? +24916 ATOM C CG1 . VAL U 1 20 ? -12.384 -10.644 11.883 1.00 54.22 ? 30 VAL a CG1 1 ? ? +24917 ATOM C CG2 . VAL U 1 20 ? -10.710 -12.491 11.698 1.00 53.74 ? 30 VAL a CG2 1 ? ? +24918 ATOM C C . VAL U 1 20 ? -10.337 -9.051 13.551 1.00 53.68 ? 30 VAL a C 1 ? ? +24919 ATOM O O . VAL U 1 20 ? -9.925 -7.920 13.275 1.00 53.28 ? 30 VAL a O 1 ? ? +24920 ATOM N N . GLY U 1 21 ? -11.095 -9.321 14.616 1.00 54.14 ? 31 GLY a N 1 ? ? +24921 ATOM C CA . GLY U 1 21 ? -11.682 -8.279 15.433 1.00 54.47 ? 31 GLY a CA 1 ? ? +24922 ATOM C C . GLY U 1 21 ? -12.783 -7.507 14.712 1.00 54.35 ? 31 GLY a C 1 ? ? +24923 ATOM O O . GLY U 1 21 ? -13.037 -7.699 13.528 1.00 53.88 ? 31 GLY a O 1 ? ? +24924 ATOM N N . TRP U 1 22 ? -13.395 -6.582 15.445 1.00 54.69 ? 32 TRP a N 1 ? ? +24925 ATOM C CA . TRP U 1 22 ? -14.539 -5.850 14.948 1.00 54.79 ? 32 TRP a CA 1 ? ? +24926 ATOM C CB . TRP U 1 22 ? -15.284 -5.237 16.139 1.00 55.63 ? 32 TRP a CB 1 ? ? +24927 ATOM C CG . TRP U 1 22 ? -15.828 -6.288 17.061 1.00 56.36 ? 32 TRP a CG 1 ? ? +24928 ATOM C CD1 . TRP U 1 22 ? -15.498 -6.484 18.369 1.00 56.89 ? 32 TRP a CD1 1 ? ? +24929 ATOM N NE1 . TRP U 1 22 ? -16.191 -7.559 18.877 1.00 57.44 ? 32 TRP a NE1 1 ? ? +24930 ATOM C CE2 . TRP U 1 22 ? -16.971 -8.093 17.887 1.00 57.38 ? 32 TRP a CE2 1 ? ? +24931 ATOM C CZ2 . TRP U 1 22 ? -17.862 -9.170 17.921 1.00 57.90 ? 32 TRP a CZ2 1 ? ? +24932 ATOM C CH2 . TRP U 1 22 ? -18.539 -9.468 16.764 1.00 57.68 ? 32 TRP a CH2 1 ? ? +24933 ATOM C CZ3 . TRP U 1 22 ? -18.349 -8.721 15.594 1.00 57.06 ? 32 TRP a CZ3 1 ? ? +24934 ATOM C CE3 . TRP U 1 22 ? -17.476 -7.641 15.565 1.00 56.62 ? 32 TRP a CE3 1 ? ? +24935 ATOM C CD2 . TRP U 1 22 ? -16.769 -7.313 16.727 1.00 56.73 ? 32 TRP a CD2 1 ? ? +24936 ATOM C C . TRP U 1 22 ? -14.139 -4.842 13.873 1.00 53.98 ? 32 TRP a C 1 ? ? +24937 ATOM O O . TRP U 1 22 ? -14.823 -4.730 12.859 1.00 53.97 ? 32 TRP a O 1 ? ? +24938 ATOM N N . PHE U 1 23 ? -13.035 -4.118 14.067 1.00 53.40 ? 33 PHE a N 1 ? ? +24939 ATOM C CA . PHE U 1 23 ? -12.479 -3.314 12.989 1.00 52.62 ? 33 PHE a CA 1 ? ? +24940 ATOM C CB . PHE U 1 23 ? -11.210 -2.577 13.444 1.00 52.35 ? 33 PHE a CB 1 ? ? +24941 ATOM C CG . PHE U 1 23 ? -11.508 -1.366 14.298 1.00 52.68 ? 33 PHE a CG 1 ? ? +24942 ATOM C CD1 . PHE U 1 23 ? -12.092 -0.246 13.752 1.00 52.65 ? 33 PHE a CD1 1 ? ? +24943 ATOM C CD2 . PHE U 1 23 ? -11.225 -1.363 15.655 1.00 53.07 ? 33 PHE a CD2 1 ? ? +24944 ATOM C CE1 . PHE U 1 23 ? -12.361 0.871 14.539 1.00 53.03 ? 33 PHE a CE1 1 ? ? +24945 ATOM C CE2 . PHE U 1 23 ? -11.507 -0.256 16.437 1.00 53.45 ? 33 PHE a CE2 1 ? ? +24946 ATOM C CZ . PHE U 1 23 ? -12.077 0.854 15.875 1.00 53.44 ? 33 PHE a CZ 1 ? ? +24947 ATOM C C . PHE U 1 23 ? -12.208 -4.188 11.767 1.00 52.00 ? 33 PHE a C 1 ? ? +24948 ATOM O O . PHE U 1 23 ? -12.505 -3.803 10.649 1.00 51.65 ? 33 PHE a O 1 ? ? +24949 ATOM N N . GLY U 1 24 ? -11.670 -5.387 11.986 1.00 51.91 ? 34 GLY a N 1 ? ? +24950 ATOM C CA . GLY U 1 24 ? -11.427 -6.330 10.907 1.00 51.42 ? 34 GLY a CA 1 ? ? +24951 ATOM C C . GLY U 1 24 ? -12.655 -6.680 10.069 1.00 51.45 ? 34 GLY a C 1 ? ? +24952 ATOM O O . GLY U 1 24 ? -12.544 -6.927 8.871 1.00 50.98 ? 34 GLY a O 1 ? ? +24953 ATOM N N . VAL U 1 25 ? -13.819 -6.730 10.721 1.00 52.06 ? 35 VAL a N 1 ? ? +24954 ATOM C CA . VAL U 1 25 ? -15.077 -7.025 10.055 1.00 52.24 ? 35 VAL a CA 1 ? ? +24955 ATOM C CB . VAL U 1 25 ? -16.210 -7.124 11.109 1.00 53.00 ? 35 VAL a CB 1 ? ? +24956 ATOM C CG1 . VAL U 1 25 ? -17.564 -6.788 10.517 1.00 53.31 ? 35 VAL a CG1 1 ? ? +24957 ATOM C CG2 . VAL U 1 25 ? -16.219 -8.497 11.761 1.00 53.25 ? 35 VAL a CG2 1 ? ? +24958 ATOM C C . VAL U 1 25 ? -15.402 -6.026 8.946 1.00 51.97 ? 35 VAL a C 1 ? ? +24959 ATOM O O . VAL U 1 25 ? -15.909 -6.427 7.898 1.00 51.83 ? 35 VAL a O 1 ? ? +24960 ATOM N N . ILE U 1 26 ? -15.120 -4.739 9.194 1.00 51.95 ? 36 ILE a N 1 ? ? +24961 ATOM C CA . ILE U 1 26 ? -15.227 -3.707 8.179 1.00 51.68 ? 36 ILE a CA 1 ? ? +24962 ATOM C CB . ILE U 1 26 ? -15.418 -2.317 8.843 1.00 52.03 ? 36 ILE a CB 1 ? ? +24963 ATOM C CG1 . ILE U 1 26 ? -16.707 -2.237 9.697 1.00 52.81 ? 36 ILE a CG1 1 ? ? +24964 ATOM C CG2 . ILE U 1 26 ? -15.424 -1.204 7.812 1.00 51.76 ? 36 ILE a CG2 1 ? ? +24965 ATOM C CD1 . ILE U 1 26 ? -17.999 -2.391 8.890 1.00 53.01 ? 36 ILE a CD1 1 ? ? +24966 ATOM C C . ILE U 1 26 ? -14.017 -3.703 7.249 1.00 51.00 ? 36 ILE a C 1 ? ? +24967 ATOM O O . ILE U 1 26 ? -14.153 -3.489 6.048 1.00 50.72 ? 36 ILE a O 1 ? ? +24968 ATOM N N . MET U 1 27 ? -12.821 -3.934 7.807 1.00 50.85 ? 37 MET a N 1 ? ? +24969 ATOM C CA . MET U 1 27 ? -11.591 -3.777 7.046 1.00 50.19 ? 37 MET a CA 1 ? ? +24970 ATOM C CB . MET U 1 27 ? -10.399 -3.949 7.956 1.00 50.10 ? 37 MET a CB 1 ? ? +24971 ATOM C CG . MET U 1 27 ? -9.041 -3.861 7.209 1.00 49.52 ? 37 MET a CG 1 ? ? +24972 ATOM S SD . MET U 1 27 ? -7.683 -4.240 8.310 1.00 49.46 ? 37 MET a SD 1 ? ? +24973 ATOM C CE . MET U 1 27 ? -7.664 -5.957 8.107 1.00 49.36 ? 37 MET a CE 1 ? ? +24974 ATOM C C . MET U 1 27 ? -11.485 -4.770 5.897 1.00 49.83 ? 37 MET a C 1 ? ? +24975 ATOM O O . MET U 1 27 ? -11.115 -4.391 4.785 1.00 49.48 ? 37 MET a O 1 ? ? +24976 ATOM N N . ILE U 1 28 ? -11.796 -6.042 6.175 1.00 50.07 ? 38 ILE a N 1 ? ? +24977 ATOM C CA . ILE U 1 28 ? -11.547 -7.117 5.227 1.00 49.79 ? 38 ILE a CA 1 ? ? +24978 ATOM C CB . ILE U 1 28 ? -11.732 -8.506 5.897 1.00 50.16 ? 38 ILE a CB 1 ? ? +24979 ATOM C CG1 . ILE U 1 28 ? -10.600 -8.753 6.929 1.00 50.21 ? 38 ILE a CG1 1 ? ? +24980 ATOM C CG2 . ILE U 1 28 ? -11.799 -9.639 4.864 1.00 49.90 ? 38 ILE a CG2 1 ? ? +24981 ATOM C CD1 . ILE U 1 28 ? -10.719 -10.084 7.750 1.00 50.57 ? 38 ILE a CD1 1 ? ? +24982 ATOM C C . ILE U 1 28 ? -12.375 -6.964 3.954 1.00 49.66 ? 38 ILE a C 1 ? ? +24983 ATOM O O . ILE U 1 28 ? -11.835 -7.015 2.855 1.00 49.21 ? 38 ILE a O 1 ? ? +24984 ATOM N N . PRO U 1 29 ? -13.711 -6.782 4.023 1.00 50.10 ? 39 PRO a N 1 ? ? +24985 ATOM C CA . PRO U 1 29 ? -14.488 -6.594 2.803 1.00 50.01 ? 39 PRO a CA 1 ? ? +24986 ATOM C CB . PRO U 1 29 ? -15.921 -6.484 3.308 1.00 50.67 ? 39 PRO a CB 1 ? ? +24987 ATOM C CG . PRO U 1 29 ? -15.881 -7.170 4.650 1.00 51.07 ? 39 PRO a CG 1 ? ? +24988 ATOM C CD . PRO U 1 29 ? -14.551 -6.824 5.223 1.00 50.73 ? 39 PRO a CD 1 ? ? +24989 ATOM C C . PRO U 1 29 ? -14.070 -5.372 1.993 1.00 49.64 ? 39 PRO a C 1 ? ? +24990 ATOM O O . PRO U 1 29 ? -14.050 -5.441 0.771 1.00 49.35 ? 39 PRO a O 1 ? ? +24991 ATOM N N . THR U 1 30 ? -13.765 -4.259 2.671 1.00 49.74 ? 40 THR a N 1 ? ? +24992 ATOM C CA . THR U 1 30 ? -13.489 -3.002 1.989 1.00 49.51 ? 40 THR a CA 1 ? ? +24993 ATOM C CB . THR U 1 30 ? -13.667 -1.807 2.947 1.00 49.82 ? 40 THR a CB 1 ? ? +24994 ATOM O OG1 . THR U 1 30 ? -12.818 -1.977 4.087 1.00 49.77 ? 40 THR a OG1 1 ? ? +24995 ATOM C CG2 . THR U 1 30 ? -15.182 -1.631 3.380 1.00 50.43 ? 40 THR a CG2 1 ? ? +24996 ATOM C C . THR U 1 30 ? -12.125 -3.039 1.298 1.00 48.98 ? 40 THR a C 1 ? ? +24997 ATOM O O . THR U 1 30 ? -12.014 -2.643 0.136 1.00 48.64 ? 40 THR a O 1 ? ? +24998 ATOM N N . LEU U 1 31 ? -11.106 -3.558 1.988 1.00 48.93 ? 41 LEU a N 1 ? ? +24999 ATOM C CA . LEU U 1 31 ? -9.805 -3.733 1.357 1.00 48.54 ? 41 LEU a CA 1 ? ? +25000 ATOM C CB . LEU U 1 31 ? -8.740 -4.202 2.371 1.00 48.56 ? 41 LEU a CB 1 ? ? +25001 ATOM C CG . LEU U 1 31 ? -8.275 -3.177 3.405 1.00 48.79 ? 41 LEU a CG 1 ? ? +25002 ATOM C CD1 . LEU U 1 31 ? -7.120 -3.706 4.158 1.00 48.75 ? 41 LEU a CD1 1 ? ? +25003 ATOM C CD2 . LEU U 1 31 ? -7.898 -1.844 2.767 1.00 48.59 ? 41 LEU a CD2 1 ? ? +25004 ATOM C C . LEU U 1 31 ? -9.862 -4.730 0.201 1.00 48.28 ? 41 LEU a C 1 ? ? +25005 ATOM O O . LEU U 1 31 ? -9.170 -4.549 -0.792 1.00 47.81 ? 41 LEU a O 1 ? ? +25006 ATOM N N . LEU U 1 32 ? -10.693 -5.775 0.319 1.00 48.67 ? 42 LEU a N 1 ? ? +25007 ATOM C CA . LEU U 1 32 ? -10.838 -6.735 -0.770 1.00 48.49 ? 42 LEU a CA 1 ? ? +25008 ATOM C CB . LEU U 1 32 ? -11.671 -7.964 -0.382 1.00 48.87 ? 42 LEU a CB 1 ? ? +25009 ATOM C CG . LEU U 1 32 ? -10.959 -9.069 0.376 1.00 48.88 ? 42 LEU a CG 1 ? ? +25010 ATOM C CD1 . LEU U 1 32 ? -11.932 -10.172 0.776 1.00 49.32 ? 42 LEU a CD1 1 ? ? +25011 ATOM C CD2 . LEU U 1 32 ? -9.842 -9.638 -0.424 1.00 48.42 ? 42 LEU a CD2 1 ? ? +25012 ATOM C C . LEU U 1 32 ? -11.470 -6.050 -1.980 1.00 48.42 ? 42 LEU a C 1 ? ? +25013 ATOM O O . LEU U 1 32 ? -10.988 -6.200 -3.100 1.00 48.21 ? 42 LEU a O 1 ? ? +25014 ATOM N N . ALA U 1 33 ? -12.528 -5.271 -1.753 1.00 48.73 ? 43 ALA a N 1 ? ? +25015 ATOM C CA . ALA U 1 33 ? -13.182 -4.578 -2.852 1.00 48.65 ? 43 ALA a CA 1 ? ? +25016 ATOM C CB . ALA U 1 33 ? -14.400 -3.813 -2.354 1.00 49.18 ? 43 ALA a CB 1 ? ? +25017 ATOM C C . ALA U 1 33 ? -12.209 -3.635 -3.557 1.00 48.14 ? 43 ALA a C 1 ? ? +25018 ATOM O O . ALA U 1 33 ? -12.083 -3.657 -4.779 1.00 47.81 ? 43 ALA a O 1 ? ? +25019 ATOM N N . ALA U 1 34 ? -11.521 -2.806 -2.769 1.00 48.12 ? 44 ALA a N 1 ? ? +25020 ATOM C CA . ALA U 1 34 ? -10.566 -1.850 -3.307 1.00 47.72 ? 44 ALA a CA 1 ? ? +25021 ATOM C CB . ALA U 1 34 ? -9.961 -1.040 -2.185 1.00 47.85 ? 44 ALA a CB 1 ? ? +25022 ATOM C C . ALA U 1 34 ? -9.472 -2.548 -4.113 1.00 47.17 ? 44 ALA a C 1 ? ? +25023 ATOM O O . ALA U 1 34 ? -9.117 -2.109 -5.207 1.00 46.86 ? 44 ALA a O 1 ? ? +25024 ATOM N N . THR U 1 35 ? -8.974 -3.665 -3.582 1.00 47.10 ? 45 THR a N 1 ? ? +25025 ATOM C CA . THR U 1 35 ? -7.869 -4.382 -4.199 1.00 46.70 ? 45 THR a CA 1 ? ? +25026 ATOM C CB . THR U 1 35 ? -7.348 -5.447 -3.224 1.00 46.74 ? 45 THR a CB 1 ? ? +25027 ATOM O OG1 . THR U 1 35 ? -6.821 -4.787 -2.067 1.00 46.83 ? 45 THR a OG1 1 ? ? +25028 ATOM C CG2 . THR U 1 35 ? -6.282 -6.337 -3.850 1.00 46.34 ? 45 THR a CG2 1 ? ? +25029 ATOM C C . THR U 1 35 ? -8.257 -5.014 -5.530 1.00 46.53 ? 45 THR a C 1 ? ? +25030 ATOM O O . THR U 1 35 ? -7.540 -4.885 -6.523 1.00 46.11 ? 45 THR a O 1 ? ? +25031 ATOM N N . ILE U 1 36 ? -9.391 -5.727 -5.541 1.00 46.86 ? 46 ILE a N 1 ? ? +25032 ATOM C CA . ILE U 1 36 ? -9.799 -6.424 -6.747 1.00 46.75 ? 46 ILE a CA 1 ? ? +25033 ATOM C CB . ILE U 1 36 ? -10.992 -7.337 -6.440 1.00 47.33 ? 46 ILE a CB 1 ? ? +25034 ATOM C CG1 . ILE U 1 36 ? -10.521 -8.515 -5.589 1.00 47.50 ? 46 ILE a CG1 1 ? ? +25035 ATOM C CG2 . ILE U 1 36 ? -11.693 -7.812 -7.718 1.00 47.30 ? 46 ILE a CG2 1 ? ? +25036 ATOM C CD1 . ILE U 1 36 ? -11.674 -9.322 -4.980 1.00 48.15 ? 46 ILE a CD1 1 ? ? +25037 ATOM C C . ILE U 1 36 ? -10.058 -5.422 -7.874 1.00 46.56 ? 46 ILE a C 1 ? ? +25038 ATOM O O . ILE U 1 36 ? -9.639 -5.635 -9.013 1.00 46.28 ? 46 ILE a O 1 ? ? +25039 ATOM N N . CYS U 1 37 ? -10.754 -4.325 -7.552 1.00 46.68 ? 47 CYS a N 1 ? ? +25040 ATOM C CA . CYS U 1 37 ? -11.014 -3.283 -8.531 1.00 46.44 ? 47 CYS a CA 1 ? ? +25041 ATOM C CB . CYS U 1 37 ? -11.991 -2.268 -7.968 1.00 46.82 ? 47 CYS a CB 1 ? ? +25042 ATOM S SG . CYS U 1 37 ? -12.497 -1.038 -9.177 1.00 46.85 ? 47 CYS a SG 1 ? ? +25043 ATOM C C . CYS U 1 37 ? -9.734 -2.599 -9.016 1.00 45.89 ? 47 CYS a C 1 ? ? +25044 ATOM O O . CYS U 1 37 ? -9.606 -2.272 -10.187 1.00 45.55 ? 47 CYS a O 1 ? ? +25045 ATOM N N . PHE U 1 38 ? -8.808 -2.330 -8.096 1.00 45.83 ? 48 PHE a N 1 ? ? +25046 ATOM C CA . PHE U 1 38 ? -7.527 -1.734 -8.466 1.00 45.51 ? 48 PHE a CA 1 ? ? +25047 ATOM C CB . PHE U 1 38 ? -6.639 -1.566 -7.250 1.00 45.53 ? 48 PHE a CB 1 ? ? +25048 ATOM C CG . PHE U 1 38 ? -5.288 -1.047 -7.621 1.00 45.22 ? 48 PHE a CG 1 ? ? +25049 ATOM C CD1 . PHE U 1 38 ? -5.119 0.267 -8.022 1.00 45.24 ? 48 PHE a CD1 1 ? ? +25050 ATOM C CD2 . PHE U 1 38 ? -4.189 -1.878 -7.612 1.00 44.97 ? 48 PHE a CD2 1 ? ? +25051 ATOM C CE1 . PHE U 1 38 ? -3.880 0.741 -8.374 1.00 44.99 ? 48 PHE a CE1 1 ? ? +25052 ATOM C CE2 . PHE U 1 38 ? -2.943 -1.395 -7.956 1.00 44.70 ? 48 PHE a CE2 1 ? ? +25053 ATOM C CZ . PHE U 1 38 ? -2.794 -0.089 -8.332 1.00 44.74 ? 48 PHE a CZ 1 ? ? +25054 ATOM C C . PHE U 1 38 ? -6.798 -2.567 -9.516 1.00 45.03 ? 48 PHE a C 1 ? ? +25055 ATOM O O . PHE U 1 38 ? -6.457 -2.069 -10.583 1.00 44.80 ? 48 PHE a O 1 ? ? +25056 ATOM N N . VAL U 1 39 ? -6.632 -3.855 -9.213 1.00 45.01 ? 49 VAL a N 1 ? ? +25057 ATOM C CA . VAL U 1 39 ? -5.934 -4.778 -10.087 1.00 44.70 ? 49 VAL a CA 1 ? ? +25058 ATOM C CB . VAL U 1 39 ? -5.822 -6.163 -9.421 1.00 44.83 ? 49 VAL a CB 1 ? ? +25059 ATOM C CG1 . VAL U 1 39 ? -5.284 -7.205 -10.392 1.00 44.56 ? 49 VAL a CG1 1 ? ? +25060 ATOM C CG2 . VAL U 1 39 ? -4.929 -6.099 -8.183 1.00 44.91 ? 49 VAL a CG2 1 ? ? +25061 ATOM C C . VAL U 1 39 ? -6.593 -4.866 -11.457 1.00 44.67 ? 49 VAL a C 1 ? ? +25062 ATOM O O . VAL U 1 39 ? -5.926 -4.771 -12.482 1.00 44.36 ? 49 VAL a O 1 ? ? +25063 ATOM N N . ILE U 1 40 ? -7.914 -5.058 -11.482 1.00 45.00 ? 50 ILE a N 1 ? ? +25064 ATOM C CA . ILE U 1 40 ? -8.609 -5.169 -12.749 1.00 44.99 ? 50 ILE a CA 1 ? ? +25065 ATOM C CB . ILE U 1 40 ? -10.093 -5.554 -12.558 1.00 45.45 ? 50 ILE a CB 1 ? ? +25066 ATOM C CG1 . ILE U 1 40 ? -10.171 -6.976 -11.990 1.00 45.55 ? 50 ILE a CG1 1 ? ? +25067 ATOM C CG2 . ILE U 1 40 ? -10.851 -5.420 -13.863 1.00 45.51 ? 50 ILE a CG2 1 ? ? +25068 ATOM C CD1 . ILE U 1 40 ? -11.510 -7.425 -11.592 1.00 46.05 ? 50 ILE a CD1 1 ? ? +25069 ATOM C C . ILE U 1 40 ? -8.448 -3.892 -13.565 1.00 44.87 ? 50 ILE a C 1 ? ? +25070 ATOM O O . ILE U 1 40 ? -8.151 -3.971 -14.755 1.00 44.63 ? 50 ILE a O 1 ? ? +25071 ATOM N N . ALA U 1 41 ? -8.670 -2.734 -12.923 1.00 45.12 ? 51 ALA a N 1 ? ? +25072 ATOM C CA . ALA U 1 41 ? -8.584 -1.444 -13.590 1.00 45.16 ? 51 ALA a CA 1 ? ? +25073 ATOM C CB . ALA U 1 41 ? -9.050 -0.355 -12.658 1.00 45.44 ? 51 ALA a CB 1 ? ? +25074 ATOM C C . ALA U 1 41 ? -7.161 -1.134 -14.080 1.00 44.88 ? 51 ALA a C 1 ? ? +25075 ATOM O O . ALA U 1 41 ? -6.961 -0.626 -15.187 1.00 44.76 ? 51 ALA a O 1 ? ? +25076 ATOM N N . PHE U 1 42 ? -6.165 -1.413 -13.238 1.00 44.77 ? 52 PHE a N 1 ? ? +25077 ATOM C CA . PHE U 1 42 ? -4.796 -1.149 -13.625 1.00 44.60 ? 52 PHE a CA 1 ? ? +25078 ATOM C CB . PHE U 1 42 ? -3.824 -1.487 -12.500 1.00 44.59 ? 52 PHE a CB 1 ? ? +25079 ATOM C CG . PHE U 1 42 ? -2.426 -0.950 -12.711 1.00 44.38 ? 52 PHE a CG 1 ? ? +25080 ATOM C CD1 . PHE U 1 42 ? -1.506 -1.654 -13.456 1.00 44.17 ? 52 PHE a CD1 1 ? ? +25081 ATOM C CD2 . PHE U 1 42 ? -2.049 0.263 -12.180 1.00 44.54 ? 52 PHE a CD2 1 ? ? +25082 ATOM C CE1 . PHE U 1 42 ? -0.193 -1.182 -13.617 1.00 44.06 ? 52 PHE a CE1 1 ? ? +25083 ATOM C CE2 . PHE U 1 42 ? -0.762 0.753 -12.359 1.00 44.50 ? 52 PHE a CE2 1 ? ? +25084 ATOM C CZ . PHE U 1 42 ? 0.173 0.025 -13.081 1.00 44.19 ? 52 PHE a CZ 1 ? ? +25085 ATOM C C . PHE U 1 42 ? -4.448 -1.915 -14.899 1.00 44.39 ? 52 PHE a C 1 ? ? +25086 ATOM O O . PHE U 1 42 ? -3.776 -1.374 -15.770 1.00 44.20 ? 52 PHE a O 1 ? ? +25087 ATOM N N . ILE U 1 43 ? -4.944 -3.156 -15.027 1.00 44.49 ? 53 ILE a N 1 ? ? +25088 ATOM C CA . ILE U 1 43 ? -4.636 -3.981 -16.188 1.00 44.31 ? 53 ILE a CA 1 ? ? +25089 ATOM C CB . ILE U 1 43 ? -4.819 -5.475 -15.850 1.00 44.44 ? 53 ILE a CB 1 ? ? +25090 ATOM C CG1 . ILE U 1 43 ? -3.839 -5.911 -14.746 1.00 44.41 ? 53 ILE a CG1 1 ? ? +25091 ATOM C CG2 . ILE U 1 43 ? -4.638 -6.362 -17.075 1.00 44.32 ? 53 ILE a CG2 1 ? ? +25092 ATOM C CD1 . ILE U 1 43 ? -4.012 -7.333 -14.294 1.00 44.46 ? 53 ILE a CD1 1 ? ? +25093 ATOM C C . ILE U 1 43 ? -5.439 -3.601 -17.430 1.00 44.45 ? 53 ILE a C 1 ? ? +25094 ATOM O O . ILE U 1 43 ? -4.874 -3.513 -18.520 1.00 44.22 ? 53 ILE a O 1 ? ? +25095 ATOM N N . ALA U 1 44 ? -6.752 -3.362 -17.257 1.00 44.83 ? 54 ALA a N 1 ? ? +25096 ATOM C CA . ALA U 1 44 ? -7.687 -3.404 -18.372 1.00 44.96 ? 54 ALA a CA 1 ? ? +25097 ATOM C CB . ALA U 1 44 ? -8.511 -4.673 -18.244 1.00 45.16 ? 54 ALA a CB 1 ? ? +25098 ATOM C C . ALA U 1 44 ? -8.656 -2.237 -18.543 1.00 45.32 ? 54 ALA a C 1 ? ? +25099 ATOM O O . ALA U 1 44 ? -9.475 -2.260 -19.455 1.00 45.63 ? 54 ALA a O 1 ? ? +25100 ATOM N N . ALA U 1 45 ? -8.598 -1.219 -17.681 1.00 45.40 ? 55 ALA a N 1 ? ? +25101 ATOM C CA . ALA U 1 45 ? -9.599 -0.170 -17.725 1.00 45.66 ? 55 ALA a CA 1 ? ? +25102 ATOM C CB . ALA U 1 45 ? -9.570 0.654 -16.451 1.00 45.84 ? 55 ALA a CB 1 ? ? +25103 ATOM C C . ALA U 1 45 ? -9.382 0.700 -18.960 1.00 45.52 ? 55 ALA a C 1 ? ? +25104 ATOM O O . ALA U 1 45 ? -8.247 0.942 -19.334 1.00 45.32 ? 55 ALA a O 1 ? ? +25105 ATOM N N . PRO U 1 46 ? -10.446 1.161 -19.659 1.00 45.66 ? 56 PRO a N 1 ? ? +25106 ATOM C CA . PRO U 1 46 ? -10.270 2.050 -20.807 1.00 45.56 ? 56 PRO a CA 1 ? ? +25107 ATOM C CB . PRO U 1 46 ? -11.646 1.985 -21.501 1.00 45.96 ? 56 PRO a CB 1 ? ? +25108 ATOM C CG . PRO U 1 46 ? -12.615 1.703 -20.371 1.00 46.28 ? 56 PRO a CG 1 ? ? +25109 ATOM C CD . PRO U 1 46 ? -11.864 0.815 -19.413 1.00 46.04 ? 56 PRO a CD 1 ? ? +25110 ATOM C C . PRO U 1 46 ? -9.902 3.469 -20.380 1.00 45.56 ? 56 PRO a C 1 ? ? +25111 ATOM O O . PRO U 1 46 ? -9.986 3.792 -19.205 1.00 45.67 ? 56 PRO a O 1 ? ? +25112 ATOM N N A PRO U 1 47 ? -9.463 4.347 -21.310 0.40 45.53 ? 57 PRO a N 1 ? ? +25113 ATOM N N B PRO U 1 47 ? -9.491 4.357 -21.313 0.60 45.49 ? 57 PRO a N 1 ? ? +25114 ATOM C CA A PRO U 1 47 ? -9.094 5.719 -20.960 0.40 45.67 ? 57 PRO a CA 1 ? ? +25115 ATOM C CA B PRO U 1 47 ? -9.128 5.734 -20.971 0.60 45.61 ? 57 PRO a CA 1 ? ? +25116 ATOM C C A PRO U 1 47 ? -10.192 6.484 -20.230 0.40 46.11 ? 57 PRO a C 1 ? ? +25117 ATOM C C B PRO U 1 47 ? -10.218 6.538 -20.269 0.60 46.03 ? 57 PRO a C 1 ? ? +25118 ATOM O O A PRO U 1 47 ? -11.378 6.293 -20.501 0.40 46.45 ? 57 PRO a O 1 ? ? +25119 ATOM O O B PRO U 1 47 ? -11.402 6.411 -20.593 0.60 46.38 ? 57 PRO a O 1 ? ? +25120 ATOM C CB A PRO U 1 47 ? -8.768 6.343 -22.323 0.40 45.67 ? 57 PRO a CB 1 ? ? +25121 ATOM C CB B PRO U 1 47 ? -8.783 6.342 -22.336 0.60 45.61 ? 57 PRO a CB 1 ? ? +25122 ATOM C CG A PRO U 1 47 ? -8.342 5.187 -23.173 0.40 45.33 ? 57 PRO a CG 1 ? ? +25123 ATOM C CG B PRO U 1 47 ? -8.376 5.185 -23.181 0.60 45.28 ? 57 PRO a CG 1 ? ? +25124 ATOM C CD A PRO U 1 47 ? -9.225 4.050 -22.733 0.40 45.39 ? 57 PRO a CD 1 ? ? +25125 ATOM C CD B PRO U 1 47 ? -9.272 4.063 -22.739 0.60 45.35 ? 57 PRO a CD 1 ? ? +25126 ATOM N N A VAL U 1 48 ? -9.759 7.357 -19.312 0.40 46.14 ? 58 VAL a N 1 ? ? +25127 ATOM N N B VAL U 1 48 ? -9.778 7.394 -19.336 0.60 46.02 ? 58 VAL a N 1 ? ? +25128 ATOM C CA A VAL U 1 48 ? -10.640 8.135 -18.460 0.40 46.56 ? 58 VAL a CA 1 ? ? +25129 ATOM C CA B VAL U 1 48 ? -10.649 8.158 -18.459 0.60 46.42 ? 58 VAL a CA 1 ? ? +25130 ATOM C C A VAL U 1 48 ? -10.502 9.629 -18.737 0.40 46.78 ? 58 VAL a C 1 ? ? +25131 ATOM C C B VAL U 1 48 ? -10.528 9.660 -18.700 0.60 46.63 ? 58 VAL a C 1 ? ? +25132 ATOM O O A VAL U 1 48 ? -9.388 10.133 -18.887 0.40 46.57 ? 58 VAL a O 1 ? ? +25133 ATOM O O B VAL U 1 48 ? -9.415 10.186 -18.778 0.60 46.44 ? 58 VAL a O 1 ? ? +25134 ATOM C CB A VAL U 1 48 ? -10.318 7.834 -16.984 0.40 46.51 ? 58 VAL a CB 1 ? ? +25135 ATOM C CB B VAL U 1 48 ? -10.301 7.813 -16.997 0.60 46.34 ? 58 VAL a CB 1 ? ? +25136 ATOM C CG1 A VAL U 1 48 ? -11.055 8.786 -16.046 0.40 46.97 ? 58 VAL a CG1 1 ? ? +25137 ATOM C CG1 B VAL U 1 48 ? -11.028 8.730 -16.005 0.60 46.79 ? 58 VAL a CG1 1 ? ? +25138 ATOM C CG2 A VAL U 1 48 ? -10.615 6.379 -16.646 0.40 46.34 ? 58 VAL a CG2 1 ? ? +25139 ATOM C CG2 B VAL U 1 48 ? -10.587 6.343 -16.703 0.60 46.17 ? 58 VAL a CG2 1 ? ? +25140 ATOM N N A ASP U 1 49 ? -11.644 10.328 -18.785 0.40 47.21 ? 59 ASP a N 1 ? ? +25141 ATOM N N B ASP U 1 49 ? -11.681 10.345 -18.779 0.60 47.02 ? 59 ASP a N 1 ? ? +25142 ATOM C CA A ASP U 1 49 ? -11.659 11.763 -19.017 0.40 47.48 ? 59 ASP a CA 1 ? ? +25143 ATOM C CA B ASP U 1 49 ? -11.715 11.777 -19.031 0.60 47.28 ? 59 ASP a CA 1 ? ? +25144 ATOM C C A ASP U 1 49 ? -11.478 12.529 -17.710 0.40 47.61 ? 59 ASP a C 1 ? ? +25145 ATOM C C B ASP U 1 49 ? -11.509 12.558 -17.734 0.60 47.40 ? 59 ASP a C 1 ? ? +25146 ATOM O O A ASP U 1 49 ? -12.422 13.119 -17.189 0.40 48.02 ? 59 ASP a O 1 ? ? +25147 ATOM O O B ASP U 1 49 ? -12.453 13.117 -17.176 0.60 47.77 ? 59 ASP a O 1 ? ? +25148 ATOM C CB A ASP U 1 49 ? -12.947 12.190 -19.702 0.40 47.95 ? 59 ASP a CB 1 ? ? +25149 ATOM C CB B ASP U 1 49 ? -13.007 12.183 -19.732 0.60 47.75 ? 59 ASP a CB 1 ? ? +25150 ATOM C CG A ASP U 1 49 ? -12.902 13.617 -20.174 0.40 48.28 ? 59 ASP a CG 1 ? ? +25151 ATOM C CG B ASP U 1 49 ? -13.025 13.628 -20.169 0.60 48.10 ? 59 ASP a CG 1 ? ? +25152 ATOM O OD1 A ASP U 1 49 ? -11.887 14.001 -20.797 0.40 48.09 ? 59 ASP a OD1 1 ? ? +25153 ATOM O OD1 B ASP U 1 49 ? -11.943 14.165 -20.463 0.60 47.95 ? 59 ASP a OD1 1 ? ? +25154 ATOM O OD2 A ASP U 1 49 ? -13.888 14.350 -19.947 0.40 48.78 ? 59 ASP a OD2 1 ? ? +25155 ATOM O OD2 B ASP U 1 49 ? -14.133 14.210 -20.278 0.60 48.57 ? 59 ASP a OD2 1 ? ? +25156 ATOM N N A ILE U 1 50 ? -10.233 12.537 -17.217 0.40 47.24 ? 60 ILE a N 1 ? ? +25157 ATOM N N B ILE U 1 50 ? -10.239 12.610 -17.301 0.60 47.01 ? 60 ILE a N 1 ? ? +25158 ATOM C CA A ILE U 1 50 ? -9.920 13.074 -15.904 0.40 47.34 ? 60 ILE a CA 1 ? ? +25159 ATOM C CA B ILE U 1 50 ? -9.869 13.112 -15.989 0.60 47.06 ? 60 ILE a CA 1 ? ? +25160 ATOM C C A ILE U 1 50 ? -10.361 14.522 -15.718 0.40 47.79 ? 60 ILE a C 1 ? ? +25161 ATOM C C B ILE U 1 50 ? -10.258 14.567 -15.754 0.60 47.51 ? 60 ILE a C 1 ? ? +25162 ATOM O O A ILE U 1 50 ? -10.939 14.856 -14.687 0.40 48.12 ? 60 ILE a O 1 ? ? +25163 ATOM O O B ILE U 1 50 ? -10.766 14.887 -14.686 0.60 47.81 ? 60 ILE a O 1 ? ? +25164 ATOM C CB A ILE U 1 50 ? -8.407 12.917 -15.591 0.40 46.95 ? 60 ILE a CB 1 ? ? +25165 ATOM C CB B ILE U 1 50 ? -8.348 12.899 -15.702 0.60 46.66 ? 60 ILE a CB 1 ? ? +25166 ATOM C CG1 A ILE U 1 50 ? -8.079 13.513 -14.216 0.40 47.11 ? 60 ILE a CG1 1 ? ? +25167 ATOM C CG1 B ILE U 1 50 ? -7.987 13.394 -14.291 0.60 46.80 ? 60 ILE a CG1 1 ? ? +25168 ATOM C CG2 A ILE U 1 50 ? -7.520 13.529 -16.684 0.40 46.81 ? 60 ILE a CG2 1 ? ? +25169 ATOM C CG2 B ILE U 1 50 ? -7.446 13.558 -16.753 0.60 46.53 ? 60 ILE a CG2 1 ? ? +25170 ATOM C CD1 A ILE U 1 50 ? -6.632 13.287 -13.784 0.40 46.79 ? 60 ILE a CD1 1 ? ? +25171 ATOM C CD1 B ILE U 1 50 ? -6.480 13.202 -13.918 0.60 46.47 ? 60 ILE a CD1 1 ? ? +25172 ATOM N N A ASP U 1 51 ? -10.085 15.380 -16.705 0.40 47.86 ? 61 ASP a N 1 ? ? +25173 ATOM N N B ASP U 1 51 ? -10.002 15.444 -16.731 0.60 47.59 ? 61 ASP a N 1 ? ? +25174 ATOM C CA A ASP U 1 51 ? -10.317 16.806 -16.545 0.40 48.31 ? 61 ASP a CA 1 ? ? +25175 ATOM C CA B ASP U 1 51 ? -10.249 16.867 -16.551 0.60 48.04 ? 61 ASP a CA 1 ? ? +25176 ATOM C C A ASP U 1 51 ? -11.627 17.305 -17.152 0.40 48.77 ? 61 ASP a C 1 ? ? +25177 ATOM C C B ASP U 1 51 ? -11.582 17.356 -17.117 0.60 48.49 ? 61 ASP a C 1 ? ? +25178 ATOM O O A ASP U 1 51 ? -11.829 18.509 -17.266 0.40 49.15 ? 61 ASP a O 1 ? ? +25179 ATOM O O B ASP U 1 51 ? -11.808 18.560 -17.197 0.60 48.87 ? 61 ASP a O 1 ? ? +25180 ATOM C CB A ASP U 1 51 ? -9.139 17.589 -17.126 0.40 48.18 ? 61 ASP a CB 1 ? ? +25181 ATOM C CB B ASP U 1 51 ? -9.091 17.665 -17.156 0.60 47.95 ? 61 ASP a CB 1 ? ? +25182 ATOM C CG A ASP U 1 51 ? -7.869 17.352 -16.343 0.40 47.86 ? 61 ASP a CG 1 ? ? +25183 ATOM C CG B ASP U 1 51 ? -7.773 17.385 -16.467 0.60 47.62 ? 61 ASP a CG 1 ? ? +25184 ATOM O OD1 A ASP U 1 51 ? -7.939 17.314 -15.097 0.40 47.94 ? 61 ASP a OD1 1 ? ? +25185 ATOM O OD1 B ASP U 1 51 ? -7.748 17.358 -15.220 0.60 47.73 ? 61 ASP a OD1 1 ? ? +25186 ATOM O OD2 A ASP U 1 51 ? -6.812 17.201 -16.970 0.40 47.57 ? 61 ASP a OD2 1 ? ? +25187 ATOM O OD2 B ASP U 1 51 ? -6.775 17.187 -17.171 0.60 47.35 ? 61 ASP a OD2 1 ? ? +25188 ATOM N N A GLY U 1 52 ? -12.505 16.370 -17.531 0.40 48.78 ? 62 GLY a N 1 ? ? +25189 ATOM N N B GLY U 1 52 ? -12.460 16.418 -17.493 0.60 48.48 ? 62 GLY a N 1 ? ? +25190 ATOM C CA A GLY U 1 52 ? -13.860 16.697 -17.941 0.40 49.29 ? 62 GLY a CA 1 ? ? +25191 ATOM C CA B GLY U 1 52 ? -13.812 16.739 -17.914 0.60 48.99 ? 62 GLY a CA 1 ? ? +25192 ATOM C C A GLY U 1 52 ? -13.961 17.458 -19.259 0.40 49.54 ? 62 GLY a C 1 ? ? +25193 ATOM C C B GLY U 1 52 ? -13.905 17.510 -19.226 0.60 49.23 ? 62 GLY a C 1 ? ? +25194 ATOM O O A GLY U 1 52 ? -14.946 18.154 -19.501 0.40 50.10 ? 62 GLY a O 1 ? ? +25195 ATOM O O B GLY U 1 52 ? -14.896 18.197 -19.471 0.60 49.81 ? 62 GLY a O 1 ? ? +25196 ATOM N N A ILE U 1 53 ? -12.948 17.307 -20.116 0.40 49.20 ? 63 ILE a N 1 ? ? +25197 ATOM N N B ILE U 1 53 ? -12.879 17.369 -20.073 0.60 48.89 ? 63 ILE a N 1 ? ? +25198 ATOM C CA A ILE U 1 53 ? -12.899 18.034 -21.372 0.40 49.41 ? 63 ILE a CA 1 ? ? +25199 ATOM C CA B ILE U 1 53 ? -12.805 18.083 -21.337 0.60 49.07 ? 63 ILE a CA 1 ? ? +25200 ATOM C C A ILE U 1 53 ? -12.903 17.072 -22.555 0.40 49.19 ? 63 ILE a C 1 ? ? +25201 ATOM C C B ILE U 1 53 ? -12.816 17.107 -22.507 0.60 48.85 ? 63 ILE a C 1 ? ? +25202 ATOM O O A ILE U 1 53 ? -12.422 17.402 -23.636 0.40 49.14 ? 63 ILE a O 1 ? ? +25203 ATOM O O B ILE U 1 53 ? -12.303 17.410 -23.580 0.60 48.78 ? 63 ILE a O 1 ? ? +25204 ATOM C CB A ILE U 1 53 ? -11.689 18.980 -21.404 0.40 49.33 ? 63 ILE a CB 1 ? ? +25205 ATOM C CB B ILE U 1 53 ? -11.581 19.014 -21.377 0.60 48.99 ? 63 ILE a CB 1 ? ? +25206 ATOM C CG1 A ILE U 1 53 ? -10.375 18.238 -21.111 0.40 48.75 ? 63 ILE a CG1 1 ? ? +25207 ATOM C CG1 B ILE U 1 53 ? -10.269 18.273 -21.067 0.60 48.41 ? 63 ILE a CG1 1 ? ? +25208 ATOM C CG2 A ILE U 1 53 ? -11.901 20.135 -20.443 0.40 49.75 ? 63 ILE a CG2 1 ? ? +25209 ATOM C CG2 B ILE U 1 53 ? -11.787 20.184 -20.437 0.60 49.41 ? 63 ILE a CG2 1 ? ? +25210 ATOM C CD1 A ILE U 1 53 ? -9.157 19.021 -21.462 0.40 48.66 ? 63 ILE a CD1 1 ? ? +25211 ATOM C CD1 B ILE U 1 53 ? -9.080 19.055 -21.356 0.60 48.34 ? 63 ILE a CD1 1 ? ? +25212 ATOM N N A ARG U 1 54 ? -13.483 15.888 -22.333 0.40 49.12 ? 64 ARG a N 1 ? ? +25213 ATOM N N B ARG U 1 54 ? -13.444 15.946 -22.294 0.60 48.79 ? 64 ARG a N 1 ? ? +25214 ATOM C CA A ARG U 1 54 ? -13.617 14.882 -23.373 0.40 48.96 ? 64 ARG a CA 1 ? ? +25215 ATOM C CA B ARG U 1 54 ? -13.555 14.920 -23.317 0.60 48.62 ? 64 ARG a CA 1 ? ? +25216 ATOM C C A ARG U 1 54 ? -12.253 14.624 -24.007 0.40 48.59 ? 64 ARG a C 1 ? ? +25217 ATOM C C B ARG U 1 54 ? -12.195 14.652 -23.959 0.60 48.26 ? 64 ARG a C 1 ? ? +25218 ATOM O O A ARG U 1 54 ? -12.138 14.530 -25.226 0.40 48.57 ? 64 ARG a O 1 ? ? +25219 ATOM O O B ARG U 1 54 ? -12.089 14.566 -25.177 0.60 48.24 ? 64 ARG a O 1 ? ? +25220 ATOM C CB A ARG U 1 54 ? -14.640 15.323 -24.430 0.40 49.37 ? 64 ARG a CB 1 ? ? +25221 ATOM C CB B ARG U 1 54 ? -14.592 15.332 -24.377 0.60 49.00 ? 64 ARG a CB 1 ? ? +25222 ATOM C CG A ARG U 1 54 ? -15.923 15.883 -23.839 0.40 49.90 ? 64 ARG a CG 1 ? ? +25223 ATOM C CG B ARG U 1 54 ? -15.863 15.905 -23.794 0.60 49.53 ? 64 ARG a CG 1 ? ? +25224 ATOM C CD A ARG U 1 54 ? -16.542 14.952 -22.825 0.40 49.84 ? 64 ARG a CD 1 ? ? +25225 ATOM C CD B ARG U 1 54 ? -16.509 14.980 -22.791 0.60 49.45 ? 64 ARG a CD 1 ? ? +25226 ATOM N NE A ARG U 1 54 ? -17.710 15.540 -22.180 0.40 50.38 ? 64 ARG a NE 1 ? ? +25227 ATOM N NE B ARG U 1 54 ? -17.696 15.570 -22.181 0.60 49.99 ? 64 ARG a NE 1 ? ? +25228 ATOM C CZ A ARG U 1 54 ? -18.879 15.730 -22.779 0.40 50.82 ? 64 ARG a CZ 1 ? ? +25229 ATOM C CZ B ARG U 1 54 ? -18.876 15.701 -22.782 0.60 50.42 ? 64 ARG a CZ 1 ? ? +25230 ATOM N NH1 A ARG U 1 54 ? -19.071 15.389 -24.040 0.40 50.81 ? 64 ARG a NH1 1 ? ? +25231 ATOM N NH1 B ARG U 1 54 ? -19.062 15.324 -24.035 0.60 50.40 ? 64 ARG a NH1 1 ? ? +25232 ATOM N NH2 A ARG U 1 54 ? -19.882 16.268 -22.091 0.40 51.33 ? 64 ARG a NH2 1 ? ? +25233 ATOM N NH2 B ARG U 1 54 ? -19.896 16.219 -22.103 0.60 50.93 ? 64 ARG a NH2 1 ? ? +25234 ATOM N N A GLU U 1 55 ? -11.236 14.523 -23.148 0.40 48.42 ? 65 GLU a N 1 ? ? +25235 ATOM N N B GLU U 1 55 ? -11.171 14.524 -23.112 0.60 48.11 ? 65 GLU a N 1 ? ? +25236 ATOM C CA A GLU U 1 55 ? -9.875 14.228 -23.558 0.40 48.13 ? 65 GLU a CA 1 ? ? +25237 ATOM C CA B GLU U 1 55 ? -9.819 14.212 -23.543 0.60 47.86 ? 65 GLU a CA 1 ? ? +25238 ATOM C C A GLU U 1 55 ? -9.378 13.064 -22.705 0.40 47.80 ? 65 GLU a C 1 ? ? +25239 ATOM C C B GLU U 1 55 ? -9.332 13.050 -22.677 0.60 47.54 ? 65 GLU a C 1 ? ? +25240 ATOM O O A GLU U 1 55 ? -8.672 13.270 -21.723 0.40 47.71 ? 65 GLU a O 1 ? ? +25241 ATOM O O B GLU U 1 55 ? -8.611 13.256 -21.705 0.60 47.47 ? 65 GLU a O 1 ? ? +25242 ATOM C CB A GLU U 1 55 ? -8.970 15.458 -23.377 0.40 48.28 ? 65 GLU a CB 1 ? ? +25243 ATOM C CB B GLU U 1 55 ? -8.913 15.444 -23.409 0.60 48.03 ? 65 GLU a CB 1 ? ? +25244 ATOM C CG A GLU U 1 55 ? -7.599 15.287 -23.997 0.40 47.98 ? 65 GLU a CG 1 ? ? +25245 ATOM C CG B GLU U 1 55 ? -7.512 15.223 -23.943 0.60 47.73 ? 65 GLU a CG 1 ? ? +25246 ATOM C CD A GLU U 1 55 ? -6.600 16.362 -23.632 0.40 48.10 ? 65 GLU a CD 1 ? ? +25247 ATOM C CD B GLU U 1 55 ? -6.541 16.316 -23.576 0.60 47.90 ? 65 GLU a CD 1 ? ? +25248 ATOM O OE1 A GLU U 1 55 ? -6.927 17.563 -23.780 0.40 48.56 ? 65 GLU a OE1 1 ? ? +25249 ATOM O OE1 B GLU U 1 55 ? -6.799 17.487 -23.935 0.60 48.34 ? 65 GLU a OE1 1 ? ? +25250 ATOM O OE2 A GLU U 1 55 ? -5.488 15.996 -23.187 0.40 47.82 ? 65 GLU a OE2 1 ? ? +25251 ATOM O OE2 B GLU U 1 55 ? -5.526 16.001 -22.914 0.60 47.68 ? 65 GLU a OE2 1 ? ? +25252 ATOM N N A PRO U 1 56 ? -9.762 11.810 -23.028 0.40 47.68 ? 66 PRO a N 1 ? ? +25253 ATOM N N B PRO U 1 56 ? -9.753 11.797 -22.972 0.60 47.45 ? 66 PRO a N 1 ? ? +25254 ATOM C CA A PRO U 1 56 ? -9.439 10.666 -22.177 0.40 47.37 ? 66 PRO a CA 1 ? ? +25255 ATOM C CA B PRO U 1 56 ? -9.469 10.655 -22.102 0.60 47.15 ? 66 PRO a CA 1 ? ? +25256 ATOM C C A PRO U 1 56 ? -7.945 10.413 -22.040 0.40 46.97 ? 66 PRO a C 1 ? ? +25257 ATOM C C B PRO U 1 56 ? -7.995 10.292 -22.002 0.60 46.75 ? 66 PRO a C 1 ? ? +25258 ATOM O O A PRO U 1 56 ? -7.205 10.538 -23.009 0.40 46.89 ? 66 PRO a O 1 ? ? +25259 ATOM O O B PRO U 1 56 ? -7.327 10.229 -23.022 0.60 46.65 ? 66 PRO a O 1 ? ? +25260 ATOM C CB A PRO U 1 56 ? -10.141 9.500 -22.884 0.40 47.30 ? 66 PRO a CB 1 ? ? +25261 ATOM C CB B PRO U 1 56 ? -10.252 9.515 -22.771 0.60 47.12 ? 66 PRO a CB 1 ? ? +25262 ATOM C CG A PRO U 1 56 ? -11.174 10.152 -23.789 0.40 47.73 ? 66 PRO a CG 1 ? ? +25263 ATOM C CG B PRO U 1 56 ? -11.266 10.195 -23.663 0.60 47.53 ? 66 PRO a CG 1 ? ? +25264 ATOM C CD A PRO U 1 56 ? -10.561 11.436 -24.207 0.40 47.84 ? 66 PRO a CD 1 ? ? +25265 ATOM C CD B PRO U 1 56 ? -10.580 11.421 -24.134 0.60 47.61 ? 66 PRO a CD 1 ? ? +25266 ATOM N N A VAL U 1 57 ? -7.531 10.066 -20.817 0.40 46.84 ? 67 VAL a N 1 ? ? +25267 ATOM N N B VAL U 1 57 ? -7.527 10.045 -20.770 0.60 46.65 ? 67 VAL a N 1 ? ? +25268 ATOM C CA A VAL U 1 57 ? -6.164 9.680 -20.513 0.40 46.43 ? 67 VAL a CA 1 ? ? +25269 ATOM C CA B VAL U 1 57 ? -6.150 9.671 -20.494 0.60 46.27 ? 67 VAL a CA 1 ? ? +25270 ATOM C C A VAL U 1 57 ? -6.109 8.170 -20.306 0.40 46.13 ? 67 VAL a C 1 ? ? +25271 ATOM C C B VAL U 1 57 ? -6.070 8.164 -20.287 0.60 45.99 ? 67 VAL a C 1 ? ? +25272 ATOM O O A VAL U 1 57 ? -6.914 7.618 -19.563 0.40 46.18 ? 67 VAL a O 1 ? ? +25273 ATOM O O B VAL U 1 57 ? -6.841 7.609 -19.512 0.60 46.02 ? 67 VAL a O 1 ? ? +25274 ATOM C CB A VAL U 1 57 ? -5.651 10.421 -19.268 0.40 46.54 ? 67 VAL a CB 1 ? ? +25275 ATOM C CB B VAL U 1 57 ? -5.620 10.390 -19.251 0.60 46.35 ? 67 VAL a CB 1 ? ? +25276 ATOM C CG1 A VAL U 1 57 ? -4.294 9.880 -18.821 0.40 46.19 ? 67 VAL a CG1 1 ? ? +25277 ATOM C CG1 B VAL U 1 57 ? -4.223 9.878 -18.870 0.60 46.01 ? 67 VAL a CG1 1 ? ? +25278 ATOM C CG2 A VAL U 1 57 ? -5.585 11.919 -19.514 0.40 46.87 ? 67 VAL a CG2 1 ? ? +25279 ATOM C CG2 B VAL U 1 57 ? -5.613 11.895 -19.457 0.60 46.70 ? 67 VAL a CG2 1 ? ? +25280 ATOM N N A SER U 1 58 ? -5.147 7.520 -20.970 0.40 45.82 ? 68 SER a N 1 ? ? +25281 ATOM N N B SER U 1 58 ? -5.098 7.527 -20.950 0.60 45.72 ? 68 SER a N 1 ? ? +25282 ATOM C CA A SER U 1 58 ? -4.983 6.080 -20.891 0.40 45.50 ? 68 SER a CA 1 ? ? +25283 ATOM C CA B SER U 1 58 ? -4.935 6.086 -20.903 0.60 45.43 ? 68 SER a CA 1 ? ? +25284 ATOM C C A SER U 1 58 ? -4.086 5.702 -19.717 0.40 45.33 ? 68 SER a C 1 ? ? +25285 ATOM C C B SER U 1 58 ? -4.057 5.698 -19.719 0.60 45.28 ? 68 SER a C 1 ? ? +25286 ATOM O O A SER U 1 58 ? -2.943 6.146 -19.641 0.40 45.38 ? 68 SER a O 1 ? ? +25287 ATOM O O B SER U 1 58 ? -2.907 6.121 -19.643 0.60 45.40 ? 68 SER a O 1 ? ? +25288 ATOM C CB A SER U 1 58 ? -4.406 5.549 -22.198 0.40 45.24 ? 68 SER a CB 1 ? ? +25289 ATOM C CB B SER U 1 58 ? -4.339 5.593 -22.214 0.60 45.18 ? 68 SER a CB 1 ? ? +25290 ATOM O OG A SER U 1 58 ? -4.020 4.192 -22.073 0.40 44.94 ? 68 SER a OG 1 ? ? +25291 ATOM O OG B SER U 1 58 ? -4.213 4.184 -22.236 0.60 44.95 ? 68 SER a OG 1 ? ? +25292 ATOM N N A GLY U 1 59 ? -4.607 4.852 -18.827 0.40 45.28 ? 69 GLY a N 1 ? ? +25293 ATOM N N B GLY U 1 59 ? -4.600 4.873 -18.819 0.60 45.24 ? 69 GLY a N 1 ? ? +25294 ATOM C CA A GLY U 1 59 ? -3.932 4.505 -17.589 0.40 45.15 ? 69 GLY a CA 1 ? ? +25295 ATOM C CA B GLY U 1 59 ? -3.939 4.506 -17.579 0.60 45.09 ? 69 GLY a CA 1 ? ? +25296 ATOM C C A GLY U 1 59 ? -3.553 3.032 -17.448 0.40 44.87 ? 69 GLY a C 1 ? ? +25297 ATOM C C B GLY U 1 59 ? -3.607 3.026 -17.408 0.60 44.84 ? 69 GLY a C 1 ? ? +25298 ATOM O O A GLY U 1 59 ? -2.714 2.690 -16.622 0.40 44.81 ? 69 GLY a O 1 ? ? +25299 ATOM O O B GLY U 1 59 ? -2.850 2.665 -16.514 0.60 44.83 ? 69 GLY a O 1 ? ? +25300 ATOM N N . SER U 1 60 ? -4.160 2.162 -18.259 1.00 44.80 ? 70 SER a N 1 ? ? +25301 ATOM C CA . SER U 1 60 ? -4.066 0.724 -18.049 1.00 44.61 ? 70 SER a CA 1 ? ? +25302 ATOM C CB . SER U 1 60 ? -5.450 0.057 -18.189 1.00 44.69 ? 70 SER a CB 1 ? ? +25303 ATOM O OG . SER U 1 60 ? -5.891 0.023 -19.532 1.00 44.55 ? 70 SER a OG 1 ? ? +25304 ATOM C C . SER U 1 60 ? -3.053 0.062 -18.975 1.00 44.41 ? 70 SER a C 1 ? ? +25305 ATOM O O . SER U 1 60 ? -2.726 0.589 -20.029 1.00 44.26 ? 70 SER a O 1 ? ? +25306 ATOM N N . LEU U 1 61 ? -2.569 -1.106 -18.544 1.00 44.63 ? 71 LEU a N 1 ? ? +25307 ATOM C CA . LEU U 1 61 ? -1.514 -1.834 -19.230 1.00 44.60 ? 71 LEU a CA 1 ? ? +25308 ATOM C CB . LEU U 1 61 ? -1.176 -3.090 -18.429 1.00 44.51 ? 71 LEU a CB 1 ? ? +25309 ATOM C CG . LEU U 1 61 ? -0.455 -2.831 -17.086 1.00 44.67 ? 71 LEU a CG 1 ? ? +25310 ATOM C CD1 . LEU U 1 61 ? 0.041 -4.122 -16.437 1.00 44.58 ? 71 LEU a CD1 1 ? ? +25311 ATOM C CD2 . LEU U 1 61 ? 0.767 -1.900 -17.245 1.00 44.59 ? 71 LEU a CD2 1 ? ? +25312 ATOM C C . LEU U 1 61 ? -1.920 -2.212 -20.646 1.00 44.92 ? 71 LEU a C 1 ? ? +25313 ATOM O O . LEU U 1 61 ? -1.136 -2.048 -21.577 1.00 44.50 ? 71 LEU a O 1 ? ? +25314 ATOM N N . LEU U 1 62 ? -3.172 -2.680 -20.795 1.00 45.72 ? 72 LEU a N 1 ? ? +25315 ATOM C CA . LEU U 1 62 ? -3.665 -3.155 -22.075 1.00 46.12 ? 72 LEU a CA 1 ? ? +25316 ATOM C CB . LEU U 1 62 ? -4.977 -3.919 -21.908 1.00 47.05 ? 72 LEU a CB 1 ? ? +25317 ATOM C CG . LEU U 1 62 ? -4.875 -5.372 -21.420 1.00 47.69 ? 72 LEU a CG 1 ? ? +25318 ATOM C CD1 . LEU U 1 62 ? -6.269 -6.003 -21.241 1.00 48.34 ? 72 LEU a CD1 1 ? ? +25319 ATOM C CD2 . LEU U 1 62 ? -4.094 -6.245 -22.391 1.00 47.72 ? 72 LEU a CD2 1 ? ? +25320 ATOM C C . LEU U 1 62 ? -3.856 -2.024 -23.074 1.00 46.11 ? 72 LEU a C 1 ? ? +25321 ATOM O O . LEU U 1 62 ? -3.886 -2.271 -24.273 1.00 45.93 ? 72 LEU a O 1 ? ? +25322 ATOM N N . TYR U 1 63 ? -3.992 -0.791 -22.584 1.00 46.52 ? 73 TYR a N 1 ? ? +25323 ATOM C CA . TYR U 1 63 ? -4.111 0.359 -23.463 1.00 47.02 ? 73 TYR a CA 1 ? ? +25324 ATOM C CB . TYR U 1 63 ? -5.265 1.251 -23.000 1.00 47.62 ? 73 TYR a CB 1 ? ? +25325 ATOM C CG . TYR U 1 63 ? -6.639 0.649 -23.227 1.00 48.23 ? 73 TYR a CG 1 ? ? +25326 ATOM C CD1 . TYR U 1 63 ? -7.095 -0.409 -22.456 1.00 48.50 ? 73 TYR a CD1 1 ? ? +25327 ATOM C CD2 . TYR U 1 63 ? -7.485 1.148 -24.206 1.00 48.74 ? 73 TYR a CD2 1 ? ? +25328 ATOM C CE1 . TYR U 1 63 ? -8.365 -0.952 -22.652 1.00 49.16 ? 73 TYR a CE1 1 ? ? +25329 ATOM C CE2 . TYR U 1 63 ? -8.746 0.608 -24.420 1.00 49.23 ? 73 TYR a CE2 1 ? ? +25330 ATOM C CZ . TYR U 1 63 ? -9.187 -0.443 -23.639 1.00 49.43 ? 73 TYR a CZ 1 ? ? +25331 ATOM O OH . TYR U 1 63 ? -10.429 -0.990 -23.851 1.00 50.55 ? 73 TYR a OH 1 ? ? +25332 ATOM C C . TYR U 1 63 ? -2.807 1.152 -23.560 1.00 47.06 ? 73 TYR a C 1 ? ? +25333 ATOM O O . TYR U 1 63 ? -2.820 2.367 -23.694 1.00 47.50 ? 73 TYR a O 1 ? ? +25334 ATOM N N . GLY U 1 64 ? -1.669 0.461 -23.489 1.00 47.00 ? 74 GLY a N 1 ? ? +25335 ATOM C CA . GLY U 1 64 ? -0.396 1.039 -23.898 1.00 46.95 ? 74 GLY a CA 1 ? ? +25336 ATOM C C . GLY U 1 64 ? 0.437 1.658 -22.783 1.00 46.91 ? 74 GLY a C 1 ? ? +25337 ATOM O O . GLY U 1 64 ? 1.229 2.561 -23.029 1.00 47.23 ? 74 GLY a O 1 ? ? +25338 ATOM N N . ASN U 1 65 ? 0.264 1.154 -21.560 1.00 46.69 ? 75 ASN a N 1 ? ? +25339 ATOM C CA . ASN U 1 65 ? 1.048 1.608 -20.428 1.00 46.27 ? 75 ASN a CA 1 ? ? +25340 ATOM C CB . ASN U 1 65 ? 0.172 2.055 -19.299 1.00 46.39 ? 75 ASN a CB 1 ? ? +25341 ATOM C CG . ASN U 1 65 ? -0.397 3.408 -19.556 1.00 46.66 ? 75 ASN a CG 1 ? ? +25342 ATOM O OD1 . ASN U 1 65 ? 0.258 4.411 -19.325 1.00 46.54 ? 75 ASN a OD1 1 ? ? +25343 ATOM N ND2 . ASN U 1 65 ? -1.631 3.470 -20.064 1.00 46.83 ? 75 ASN a ND2 1 ? ? +25344 ATOM C C . ASN U 1 65 ? 1.967 0.488 -19.971 1.00 45.98 ? 75 ASN a C 1 ? ? +25345 ATOM O O . ASN U 1 65 ? 1.694 -0.693 -20.217 1.00 45.99 ? 75 ASN a O 1 ? ? +25346 ATOM N N . ASN U 1 66 ? 3.061 0.899 -19.314 1.00 45.66 ? 76 ASN a N 1 ? ? +25347 ATOM C CA . ASN U 1 66 ? 3.900 -0.022 -18.579 1.00 45.23 ? 76 ASN a CA 1 ? ? +25348 ATOM C CB . ASN U 1 66 ? 5.363 0.126 -19.036 1.00 45.16 ? 76 ASN a CB 1 ? ? +25349 ATOM C CG . ASN U 1 66 ? 5.981 1.480 -18.786 1.00 45.32 ? 76 ASN a CG 1 ? ? +25350 ATOM O OD1 . ASN U 1 66 ? 5.756 2.103 -17.748 1.00 45.70 ? 76 ASN a OD1 1 ? ? +25351 ATOM N ND2 . ASN U 1 66 ? 6.767 1.985 -19.742 1.00 45.27 ? 76 ASN a ND2 1 ? ? +25352 ATOM C C . ASN U 1 66 ? 3.685 0.230 -17.084 1.00 45.20 ? 76 ASN a C 1 ? ? +25353 ATOM O O . ASN U 1 66 ? 2.867 1.066 -16.697 1.00 45.34 ? 76 ASN a O 1 ? ? +25354 ATOM N N . ILE U 1 67 ? 4.458 -0.470 -16.242 1.00 44.89 ? 77 ILE a N 1 ? ? +25355 ATOM C CA . ILE U 1 67 ? 4.328 -0.345 -14.800 1.00 44.90 ? 77 ILE a CA 1 ? ? +25356 ATOM C CB . ILE U 1 67 ? 5.241 -1.354 -14.089 1.00 44.81 ? 77 ILE a CB 1 ? ? +25357 ATOM C CG1 . ILE U 1 67 ? 4.782 -2.777 -14.321 1.00 44.83 ? 77 ILE a CG1 1 ? ? +25358 ATOM C CG2 . ILE U 1 67 ? 5.332 -1.081 -12.609 1.00 45.02 ? 77 ILE a CG2 1 ? ? +25359 ATOM C CD1 . ILE U 1 67 ? 3.458 -3.061 -13.839 1.00 45.05 ? 77 ILE a CD1 1 ? ? +25360 ATOM C C . ILE U 1 67 ? 4.567 1.072 -14.282 1.00 44.89 ? 77 ILE a C 1 ? ? +25361 ATOM O O . ILE U 1 67 ? 3.923 1.490 -13.322 1.00 45.34 ? 77 ILE a O 1 ? ? +25362 ATOM N N . ILE U 1 68 ? 5.470 1.806 -14.932 1.00 44.44 ? 78 ILE a N 1 ? ? +25363 ATOM C CA . ILE U 1 68 ? 5.830 3.146 -14.499 1.00 44.34 ? 78 ILE a CA 1 ? ? +25364 ATOM C CB . ILE U 1 68 ? 7.250 3.523 -15.028 1.00 44.18 ? 78 ILE a CB 1 ? ? +25365 ATOM C CG1 . ILE U 1 68 ? 8.318 2.535 -14.551 1.00 43.94 ? 78 ILE a CG1 1 ? ? +25366 ATOM C CG2 . ILE U 1 68 ? 7.607 4.944 -14.659 1.00 44.46 ? 78 ILE a CG2 1 ? ? +25367 ATOM C CD1 . ILE U 1 68 ? 8.406 2.359 -13.102 1.00 44.07 ? 78 ILE a CD1 1 ? ? +25368 ATOM C C . ILE U 1 68 ? 4.826 4.212 -14.923 1.00 44.38 ? 78 ILE a C 1 ? ? +25369 ATOM O O . ILE U 1 68 ? 4.617 5.164 -14.181 1.00 44.58 ? 78 ILE a O 1 ? ? +25370 ATOM N N A THR U 1 69 ? 4.262 4.077 -16.131 0.40 44.26 ? 79 THR a N 1 ? ? +25371 ATOM N N B THR U 1 69 ? 4.231 4.057 -16.114 0.60 44.23 ? 79 THR a N 1 ? ? +25372 ATOM C CA A THR U 1 69 ? 3.351 5.075 -16.673 0.40 44.43 ? 79 THR a CA 1 ? ? +25373 ATOM C CA B THR U 1 69 ? 3.328 5.066 -16.651 0.60 44.38 ? 79 THR a CA 1 ? ? +25374 ATOM C C A THR U 1 69 ? 1.904 4.787 -16.292 0.40 44.49 ? 79 THR a C 1 ? ? +25375 ATOM C C B THR U 1 69 ? 1.918 4.804 -16.141 0.60 44.43 ? 79 THR a C 1 ? ? +25376 ATOM O O A THR U 1 69 ? 1.092 5.701 -16.230 0.40 44.83 ? 79 THR a O 1 ? ? +25377 ATOM O O B THR U 1 69 ? 1.235 5.744 -15.753 0.60 44.82 ? 79 THR a O 1 ? ? +25378 ATOM C CB A THR U 1 69 ? 3.501 5.190 -18.201 0.40 44.31 ? 79 THR a CB 1 ? ? +25379 ATOM C CB B THR U 1 69 ? 3.420 5.172 -18.193 0.60 44.27 ? 79 THR a CB 1 ? ? +25380 ATOM O OG1 A THR U 1 69 ? 2.968 4.026 -18.839 0.40 44.05 ? 79 THR a OG1 1 ? ? +25381 ATOM O OG1 B THR U 1 69 ? 2.806 4.050 -18.822 0.60 44.01 ? 79 THR a OG1 1 ? ? +25382 ATOM C CG2 A THR U 1 69 ? 4.982 5.409 -18.626 0.40 44.23 ? 79 THR a CG2 1 ? ? +25383 ATOM C CG2 B THR U 1 69 ? 4.916 5.315 -18.674 0.60 44.19 ? 79 THR a CG2 1 ? ? +25384 ATOM N N A GLY U 1 70 ? 1.596 3.517 -16.027 0.40 44.28 ? 80 GLY a N 1 ? ? +25385 ATOM N N B GLY U 1 70 ? 1.538 3.525 -16.074 0.60 44.17 ? 80 GLY a N 1 ? ? +25386 ATOM C CA A GLY U 1 70 ? 0.231 3.103 -15.742 0.40 44.34 ? 80 GLY a CA 1 ? ? +25387 ATOM C CA B GLY U 1 70 ? 0.181 3.115 -15.748 0.60 44.20 ? 80 GLY a CA 1 ? ? +25388 ATOM C C A GLY U 1 70 ? -0.350 3.743 -14.483 0.40 44.60 ? 80 GLY a C 1 ? ? +25389 ATOM C C B GLY U 1 70 ? -0.382 3.785 -14.498 0.60 44.43 ? 80 GLY a C 1 ? ? +25390 ATOM O O A GLY U 1 70 ? 0.386 4.074 -13.556 0.40 44.71 ? 80 GLY a O 1 ? ? +25391 ATOM O O B GLY U 1 70 ? 0.370 4.222 -13.628 0.60 44.56 ? 80 GLY a O 1 ? ? +25392 ATOM N N A ALA U 1 71 ? -1.678 3.910 -14.467 0.40 44.70 ? 81 ALA a N 1 ? ? +25393 ATOM N N B ALA U 1 71 ? -1.715 3.878 -14.444 0.60 44.49 ? 81 ALA a N 1 ? ? +25394 ATOM C CA A ALA U 1 71 ? -2.395 4.431 -13.314 0.40 44.95 ? 81 ALA a CA 1 ? ? +25395 ATOM C CA B ALA U 1 71 ? -2.420 4.432 -13.302 0.60 44.70 ? 81 ALA a CA 1 ? ? +25396 ATOM C C A ALA U 1 71 ? -3.872 4.054 -13.363 0.40 45.08 ? 81 ALA a C 1 ? ? +25397 ATOM C C B ALA U 1 71 ? -3.885 4.014 -13.330 0.60 44.80 ? 81 ALA a C 1 ? ? +25398 ATOM O O A ALA U 1 71 ? -4.390 3.719 -14.422 0.40 45.01 ? 81 ALA a O 1 ? ? +25399 ATOM O O B ALA U 1 71 ? -4.396 3.613 -14.371 0.60 44.73 ? 81 ALA a O 1 ? ? +25400 ATOM C CB A ALA U 1 71 ? -2.288 5.943 -13.263 0.40 45.17 ? 81 ALA a CB 1 ? ? +25401 ATOM C CB B ALA U 1 71 ? -2.334 5.950 -13.304 0.60 44.92 ? 81 ALA a CB 1 ? ? +25402 ATOM N N A VAL U 1 72 ? -4.541 4.129 -12.210 0.40 45.29 ? 82 VAL a N 1 ? ? +25403 ATOM N N B VAL U 1 72 ? -4.544 4.114 -12.174 0.60 44.98 ? 82 VAL a N 1 ? ? +25404 ATOM C CA A VAL U 1 72 ? -5.981 4.291 -12.192 0.40 45.57 ? 82 VAL a CA 1 ? ? +25405 ATOM C CA B VAL U 1 72 ? -5.981 4.305 -12.144 0.60 45.25 ? 82 VAL a CA 1 ? ? +25406 ATOM C C A VAL U 1 72 ? -6.226 5.795 -12.155 0.40 45.80 ? 82 VAL a C 1 ? ? +25407 ATOM C C B VAL U 1 72 ? -6.183 5.817 -12.153 0.60 45.44 ? 82 VAL a C 1 ? ? +25408 ATOM O O A VAL U 1 72 ? -5.785 6.479 -11.239 0.40 45.93 ? 82 VAL a O 1 ? ? +25409 ATOM O O B VAL U 1 72 ? -5.736 6.512 -11.246 0.60 45.57 ? 82 VAL a O 1 ? ? +25410 ATOM C CB A VAL U 1 72 ? -6.654 3.550 -11.026 0.40 45.78 ? 82 VAL a CB 1 ? ? +25411 ATOM C CB B VAL U 1 72 ? -6.665 3.608 -10.956 0.60 45.47 ? 82 VAL a CB 1 ? ? +25412 ATOM C CG1 A VAL U 1 72 ? -8.145 3.831 -10.991 0.40 46.16 ? 82 VAL a CG1 1 ? ? +25413 ATOM C CG1 B VAL U 1 72 ? -8.159 3.865 -10.964 0.60 45.86 ? 82 VAL a CG1 1 ? ? +25414 ATOM C CG2 A VAL U 1 72 ? -6.386 2.056 -11.106 0.40 45.50 ? 82 VAL a CG2 1 ? ? +25415 ATOM C CG2 B VAL U 1 72 ? -6.372 2.113 -10.962 0.60 45.20 ? 82 VAL a CG2 1 ? ? +25416 ATOM N N A VAL U 1 73 ? -6.911 6.297 -13.184 0.40 45.85 ? 83 VAL a N 1 ? ? +25417 ATOM N N B VAL U 1 73 ? -6.838 6.306 -13.207 0.60 45.46 ? 83 VAL a N 1 ? ? +25418 ATOM C CA A VAL U 1 73 ? -7.083 7.725 -13.386 0.40 46.08 ? 83 VAL a CA 1 ? ? +25419 ATOM C CA B VAL U 1 73 ? -7.047 7.727 -13.425 0.60 45.68 ? 83 VAL a CA 1 ? ? +25420 ATOM C C A VAL U 1 73 ? -8.205 8.302 -12.525 0.40 46.48 ? 83 VAL a C 1 ? ? +25421 ATOM C C B VAL U 1 73 ? -8.172 8.280 -12.551 0.60 46.07 ? 83 VAL a C 1 ? ? +25422 ATOM O O A VAL U 1 73 ? -9.281 7.713 -12.423 0.40 46.68 ? 83 VAL a O 1 ? ? +25423 ATOM O O B VAL U 1 73 ? -9.242 7.674 -12.461 0.60 46.25 ? 83 VAL a O 1 ? ? +25424 ATOM C CB A VAL U 1 73 ? -7.342 7.980 -14.883 0.40 46.06 ? 83 VAL a CB 1 ? ? +25425 ATOM C CB B VAL U 1 73 ? -7.349 7.952 -14.918 0.60 45.66 ? 83 VAL a CB 1 ? ? +25426 ATOM C CG1 A VAL U 1 73 ? -7.565 9.457 -15.165 0.40 46.37 ? 83 VAL a CG1 1 ? ? +25427 ATOM C CG1 B VAL U 1 73 ? -7.626 9.414 -15.224 0.60 45.98 ? 83 VAL a CG1 1 ? ? +25428 ATOM C CG2 A VAL U 1 73 ? -6.202 7.418 -15.737 0.40 45.64 ? 83 VAL a CG2 1 ? ? +25429 ATOM C CG2 B VAL U 1 73 ? -6.205 7.419 -15.785 0.60 45.27 ? 83 VAL a CG2 1 ? ? +25430 ATOM N N A PRO U 1 74 ? -7.982 9.459 -11.862 0.40 46.62 ? 84 PRO a N 1 ? ? +25431 ATOM N N B PRO U 1 74 ? -7.969 9.441 -11.883 0.60 46.20 ? 84 PRO a N 1 ? ? +25432 ATOM C CA A PRO U 1 74 ? -9.040 10.133 -11.107 0.40 47.04 ? 84 PRO a CA 1 ? ? +25433 ATOM C CA B PRO U 1 74 ? -9.040 10.107 -11.139 0.60 46.62 ? 84 PRO a CA 1 ? ? +25434 ATOM C C A PRO U 1 74 ? -10.308 10.398 -11.915 0.40 47.27 ? 84 PRO a C 1 ? ? +25435 ATOM C C B PRO U 1 74 ? -10.332 10.328 -11.926 0.60 46.83 ? 84 PRO a C 1 ? ? +25436 ATOM O O A PRO U 1 74 ? -10.265 10.517 -13.136 0.40 47.15 ? 84 PRO a O 1 ? ? +25437 ATOM O O B PRO U 1 74 ? -10.334 10.320 -13.152 0.60 46.69 ? 84 PRO a O 1 ? ? +25438 ATOM C CB A PRO U 1 74 ? -8.369 11.435 -10.673 0.40 47.22 ? 84 PRO a CB 1 ? ? +25439 ATOM C CB B PRO U 1 74 ? -8.386 11.424 -10.737 0.60 46.79 ? 84 PRO a CB 1 ? ? +25440 ATOM C CG A PRO U 1 74 ? -6.903 11.090 -10.611 0.40 46.84 ? 84 PRO a CG 1 ? ? +25441 ATOM C CG B PRO U 1 74 ? -6.910 11.085 -10.635 0.60 46.41 ? 84 PRO a CG 1 ? ? +25442 ATOM C CD A PRO U 1 74 ? -6.682 10.143 -11.749 0.40 46.47 ? 84 PRO a CD 1 ? ? +25443 ATOM C CD B PRO U 1 74 ? -6.674 10.135 -11.754 0.60 46.04 ? 84 PRO a CD 1 ? ? +25444 ATOM N N A SER U 1 75 ? -11.437 10.498 -11.209 0.40 47.61 ? 85 SER a N 1 ? ? +25445 ATOM N N B SER U 1 75 ? -11.439 10.512 -11.202 0.60 47.17 ? 85 SER a N 1 ? ? +25446 ATOM C CA A SER U 1 75 ? -12.725 10.700 -11.849 0.40 47.92 ? 85 SER a CA 1 ? ? +25447 ATOM C CA B SER U 1 75 ? -12.731 10.721 -11.836 0.60 47.48 ? 85 SER a CA 1 ? ? +25448 ATOM C C A SER U 1 75 ? -12.809 12.083 -12.493 0.40 48.10 ? 85 SER a C 1 ? ? +25449 ATOM C C B SER U 1 75 ? -12.818 12.117 -12.454 0.60 47.69 ? 85 SER a C 1 ? ? +25450 ATOM O O A SER U 1 75 ? -12.051 12.983 -12.137 0.40 48.12 ? 85 SER a O 1 ? ? +25451 ATOM O O B SER U 1 75 ? -12.057 13.011 -12.084 0.60 47.70 ? 85 SER a O 1 ? ? +25452 ATOM C CB A SER U 1 75 ? -13.866 10.476 -10.854 0.40 48.34 ? 85 SER a CB 1 ? ? +25453 ATOM C CB B SER U 1 75 ? -13.878 10.448 -10.857 0.60 47.90 ? 85 SER a CB 1 ? ? +25454 ATOM O OG A SER U 1 75 ? -13.785 11.317 -9.712 0.40 48.64 ? 85 SER a OG 1 ? ? +25455 ATOM O OG B SER U 1 75 ? -13.611 10.868 -9.527 0.60 48.06 ? 85 SER a OG 1 ? ? +25456 ATOM N N A SER U 1 76 ? -13.750 12.225 -13.437 0.40 48.27 ? 86 SER a N 1 ? ? +25457 ATOM N N B SER U 1 76 ? -13.756 12.277 -13.400 0.60 47.85 ? 86 SER a N 1 ? ? +25458 ATOM C CA A SER U 1 76 ? -13.902 13.415 -14.259 0.40 48.43 ? 86 SER a CA 1 ? ? +25459 ATOM C CA B SER U 1 76 ? -13.876 13.471 -14.223 0.60 48.01 ? 86 SER a CA 1 ? ? +25460 ATOM C C A SER U 1 76 ? -14.144 14.683 -13.445 0.40 48.81 ? 86 SER a C 1 ? ? +25461 ATOM C C B SER U 1 76 ? -14.053 14.734 -13.384 0.60 48.37 ? 86 SER a C 1 ? ? +25462 ATOM O O A SER U 1 76 ? -14.843 14.659 -12.431 0.40 49.13 ? 86 SER a O 1 ? ? +25463 ATOM O O B SER U 1 76 ? -14.587 14.677 -12.274 0.60 48.65 ? 86 SER a O 1 ? ? +25464 ATOM C CB A SER U 1 76 ? -15.050 13.210 -15.250 0.40 48.70 ? 86 SER a CB 1 ? ? +25465 ATOM C CB B SER U 1 76 ? -15.038 13.298 -15.205 0.60 48.28 ? 86 SER a CB 1 ? ? +25466 ATOM O OG A SER U 1 76 ? -15.342 14.361 -16.031 0.40 49.02 ? 86 SER a OG 1 ? ? +25467 ATOM O OG B SER U 1 76 ? -15.301 14.440 -16.007 0.60 48.59 ? 86 SER a OG 1 ? ? +25468 ATOM N N A ASN U 1 77 ? -13.560 15.791 -13.919 0.40 48.78 ? 87 ASN a N 1 ? ? +25469 ATOM N N B ASN U 1 77 ? -13.573 15.863 -13.926 0.60 48.39 ? 87 ASN a N 1 ? ? +25470 ATOM C CA A ASN U 1 77 ? -13.784 17.104 -13.338 0.40 49.20 ? 87 ASN a CA 1 ? ? +25471 ATOM C CA B ASN U 1 77 ? -13.814 17.177 -13.353 0.60 48.79 ? 87 ASN a CA 1 ? ? +25472 ATOM C C A ASN U 1 77 ? -15.247 17.535 -13.463 0.40 49.81 ? 87 ASN a C 1 ? ? +25473 ATOM C C B ASN U 1 77 ? -15.295 17.564 -13.441 0.60 49.41 ? 87 ASN a C 1 ? ? +25474 ATOM O O A ASN U 1 77 ? -15.719 18.372 -12.698 0.40 50.22 ? 87 ASN a O 1 ? ? +25475 ATOM O O B ASN U 1 77 ? -15.791 18.326 -12.614 0.60 49.82 ? 87 ASN a O 1 ? ? +25476 ATOM C CB A ASN U 1 77 ? -12.881 18.138 -14.002 0.40 49.07 ? 87 ASN a CB 1 ? ? +25477 ATOM C CB B ASN U 1 77 ? -12.943 18.216 -14.047 0.60 48.70 ? 87 ASN a CB 1 ? ? +25478 ATOM C CG A ASN U 1 77 ? -12.867 19.474 -13.304 0.40 49.44 ? 87 ASN a CG 1 ? ? +25479 ATOM C CG B ASN U 1 77 ? -12.839 19.531 -13.315 0.60 49.04 ? 87 ASN a CG 1 ? ? +25480 ATOM O OD1 A ASN U 1 77 ? -12.642 19.577 -12.100 0.40 49.46 ? 87 ASN a OD1 1 ? ? +25481 ATOM O OD1 B ASN U 1 77 ? -12.656 19.586 -12.100 0.60 49.08 ? 87 ASN a OD1 1 ? ? +25482 ATOM N ND2 A ASN U 1 77 ? -13.096 20.534 -14.042 0.40 49.76 ? 87 ASN a ND2 1 ? ? +25483 ATOM N ND2 B ASN U 1 77 ? -12.938 20.631 -14.034 0.60 49.32 ? 87 ASN a ND2 1 ? ? +25484 ATOM N N A ALA U 1 78 ? -15.952 16.973 -14.451 0.40 49.88 ? 88 ALA a N 1 ? ? +25485 ATOM N N B ALA U 1 78 ? -15.995 17.037 -14.454 0.60 49.48 ? 88 ALA a N 1 ? ? +25486 ATOM C CA A ALA U 1 78 ? -17.363 17.261 -14.650 0.40 50.49 ? 88 ALA a CA 1 ? ? +25487 ATOM C CA B ALA U 1 78 ? -17.423 17.261 -14.624 0.60 50.08 ? 88 ALA a CA 1 ? ? +25488 ATOM C C A ALA U 1 78 ? -18.195 16.799 -13.456 0.40 50.82 ? 88 ALA a C 1 ? ? +25489 ATOM C C B ALA U 1 78 ? -18.249 16.732 -13.452 0.60 50.39 ? 88 ALA a C 1 ? ? +25490 ATOM O O A ALA U 1 78 ? -19.248 17.363 -13.188 0.40 51.39 ? 88 ALA a O 1 ? ? +25491 ATOM O O B ALA U 1 78 ? -19.349 17.215 -13.220 0.60 50.97 ? 88 ALA a O 1 ? ? +25492 ATOM C CB A ALA U 1 78 ? -17.864 16.605 -15.922 0.40 50.41 ? 88 ALA a CB 1 ? ? +25493 ATOM C CB B ALA U 1 78 ? -17.897 16.625 -15.916 0.60 50.00 ? 88 ALA a CB 1 ? ? +25494 ATOM N N A ILE U 1 79 ? -17.703 15.768 -12.754 0.40 50.53 ? 89 ILE a N 1 ? ? +25495 ATOM N N B ILE U 1 79 ? -17.713 15.733 -12.735 0.60 50.10 ? 89 ILE a N 1 ? ? +25496 ATOM C CA A ILE U 1 79 ? -18.352 15.223 -11.571 0.40 50.81 ? 89 ILE a CA 1 ? ? +25497 ATOM C CA B ILE U 1 79 ? -18.327 15.194 -11.529 0.60 50.37 ? 89 ILE a CA 1 ? ? +25498 ATOM C C A ILE U 1 79 ? -18.028 16.005 -10.301 0.40 51.08 ? 89 ILE a C 1 ? ? +25499 ATOM C C B ILE U 1 79 ? -17.988 16.010 -10.283 0.60 50.66 ? 89 ILE a C 1 ? ? +25500 ATOM O O A ILE U 1 79 ? -18.841 16.065 -9.380 0.40 51.49 ? 89 ILE a O 1 ? ? +25501 ATOM O O B ILE U 1 79 ? -18.806 16.132 -9.371 0.60 51.09 ? 89 ILE a O 1 ? ? +25502 ATOM C CB A ILE U 1 79 ? -17.947 13.742 -11.423 0.40 50.31 ? 89 ILE a CB 1 ? ? +25503 ATOM C CB B ILE U 1 79 ? -17.893 13.723 -11.358 0.60 49.87 ? 89 ILE a CB 1 ? ? +25504 ATOM C CG1 A ILE U 1 79 ? -18.579 12.895 -12.538 0.40 50.29 ? 89 ILE a CG1 1 ? ? +25505 ATOM C CG1 B ILE U 1 79 ? -18.449 12.860 -12.502 0.60 49.80 ? 89 ILE a CG1 1 ? ? +25506 ATOM C CG2 A ILE U 1 79 ? -18.306 13.203 -10.042 0.40 50.47 ? 89 ILE a CG2 1 ? ? +25507 ATOM C CG2 B ILE U 1 79 ? -18.301 13.168 -10.000 0.60 50.04 ? 89 ILE a CG2 1 ? ? +25508 ATOM C CD1 A ILE U 1 79 ? -18.038 11.507 -12.643 0.40 49.79 ? 89 ILE a CD1 1 ? ? +25509 ATOM C CD1 B ILE U 1 79 ? -17.833 11.467 -12.613 0.60 49.29 ? 89 ILE a CD1 1 ? ? +25510 ATOM N N A GLY U 1 80 ? -16.829 16.599 -10.260 0.40 50.91 ? 90 GLY a N 1 ? ? +25511 ATOM N N B GLY U 1 80 ? -16.764 16.553 -10.241 0.60 50.48 ? 90 GLY a N 1 ? ? +25512 ATOM C CA A GLY U 1 80 ? -16.384 17.348 -9.096 0.40 51.14 ? 90 GLY a CA 1 ? ? +25513 ATOM C CA B GLY U 1 80 ? -16.313 17.323 -9.095 0.60 50.72 ? 90 GLY a CA 1 ? ? +25514 ATOM C C A GLY U 1 80 ? -16.354 16.485 -7.839 0.40 51.15 ? 90 GLY a C 1 ? ? +25515 ATOM C C B GLY U 1 80 ? -16.302 16.470 -7.830 0.60 50.76 ? 90 GLY a C 1 ? ? +25516 ATOM O O A GLY U 1 80 ? -15.637 15.491 -7.791 0.40 50.69 ? 90 GLY a O 1 ? ? +25517 ATOM O O B GLY U 1 80 ? -15.627 15.446 -7.790 0.60 50.30 ? 90 GLY a O 1 ? ? +25518 ATOM N N A LEU U 1 81 ? -17.155 16.871 -6.836 0.40 51.78 ? 91 LEU a N 1 ? ? +25519 ATOM N N B LEU U 1 81 ? -17.073 16.890 -6.817 0.60 51.41 ? 91 LEU a N 1 ? ? +25520 ATOM C CA A LEU U 1 81 ? -17.247 16.150 -5.575 0.40 51.90 ? 91 LEU a CA 1 ? ? +25521 ATOM C CA B LEU U 1 81 ? -17.169 16.177 -5.552 0.60 51.54 ? 91 LEU a CA 1 ? ? +25522 ATOM C C A LEU U 1 81 ? -18.531 15.330 -5.458 0.40 52.31 ? 91 LEU a C 1 ? ? +25523 ATOM C C B LEU U 1 81 ? -18.404 15.282 -5.473 0.60 51.93 ? 91 LEU a C 1 ? ? +25524 ATOM O O A LEU U 1 81 ? -18.845 14.817 -4.386 0.40 52.52 ? 91 LEU a O 1 ? ? +25525 ATOM O O B LEU U 1 81 ? -18.628 14.632 -4.452 0.60 52.06 ? 91 LEU a O 1 ? ? +25526 ATOM C CB A LEU U 1 81 ? -17.186 17.142 -4.399 0.40 52.28 ? 91 LEU a CB 1 ? ? +25527 ATOM C CB B LEU U 1 81 ? -17.173 17.174 -4.366 0.60 51.94 ? 91 LEU a CB 1 ? ? +25528 ATOM C CG A LEU U 1 81 ? -15.841 17.836 -4.161 0.40 52.01 ? 91 LEU a CG 1 ? ? +25529 ATOM C CG B LEU U 1 81 ? -15.837 17.905 -4.091 0.60 51.69 ? 91 LEU a CG 1 ? ? +25530 ATOM C CD1 A LEU U 1 81 ? -15.915 18.761 -2.974 0.40 52.46 ? 91 LEU a CD1 1 ? ? +25531 ATOM C CD1 B LEU U 1 81 ? -15.935 18.829 -2.895 0.60 52.16 ? 91 LEU a CD1 1 ? ? +25532 ATOM C CD2 A LEU U 1 81 ? -14.734 16.843 -3.945 0.40 51.43 ? 91 LEU a CD2 1 ? ? +25533 ATOM C CD2 B LEU U 1 81 ? -14.720 16.942 -3.857 0.60 51.12 ? 91 LEU a CD2 1 ? ? +25534 ATOM N N A HIS U 1 82 ? -19.272 15.217 -6.565 0.40 52.52 ? 92 HIS a N 1 ? ? +25535 ATOM N N B HIS U 1 82 ? -19.192 15.232 -6.557 0.60 52.18 ? 92 HIS a N 1 ? ? +25536 ATOM C CA A HIS U 1 82 ? -20.461 14.383 -6.603 0.40 52.86 ? 92 HIS a CA 1 ? ? +25537 ATOM C CA B HIS U 1 82 ? -20.375 14.386 -6.593 0.60 52.53 ? 92 HIS a CA 1 ? ? +25538 ATOM C C A HIS U 1 82 ? -20.086 12.917 -6.421 0.40 52.58 ? 92 HIS a C 1 ? ? +25539 ATOM C C B HIS U 1 82 ? -20.029 12.909 -6.423 0.60 52.30 ? 92 HIS a C 1 ? ? +25540 ATOM O O A HIS U 1 82 ? -19.038 12.467 -6.884 0.40 52.03 ? 92 HIS a O 1 ? ? +25541 ATOM O O B HIS U 1 82 ? -19.011 12.426 -6.923 0.60 51.76 ? 92 HIS a O 1 ? ? +25542 ATOM C CB A HIS U 1 82 ? -21.234 14.573 -7.907 0.40 53.00 ? 92 HIS a CB 1 ? ? +25543 ATOM C CB B HIS U 1 82 ? -21.165 14.573 -7.889 0.60 52.65 ? 92 HIS a CB 1 ? ? +25544 ATOM C CG A HIS U 1 82 ? -22.016 15.851 -7.963 0.40 53.56 ? 92 HIS a CG 1 ? ? +25545 ATOM C CG B HIS U 1 82 ? -21.932 15.858 -7.958 0.60 53.20 ? 92 HIS a CG 1 ? ? +25546 ATOM N ND1 A HIS U 1 82 ? -23.378 15.852 -8.155 0.40 54.09 ? 92 HIS a ND1 1 ? ? +25547 ATOM N ND1 B HIS U 1 82 ? -23.289 15.871 -8.176 0.60 53.71 ? 92 HIS a ND1 1 ? ? +25548 ATOM C CD2 A HIS U 1 82 ? -21.592 17.128 -7.847 0.40 53.68 ? 92 HIS a CD2 1 ? ? +25549 ATOM C CD2 B HIS U 1 82 ? -21.497 17.130 -7.844 0.60 53.30 ? 92 HIS a CD2 1 ? ? +25550 ATOM C CE1 A HIS U 1 82 ? -23.743 17.124 -8.153 0.40 54.56 ? 92 HIS a CE1 1 ? ? +25551 ATOM C CE1 B HIS U 1 82 ? -23.640 17.144 -8.186 0.60 54.18 ? 92 HIS a CE1 1 ? ? +25552 ATOM N NE2 A HIS U 1 82 ? -22.691 17.926 -7.969 0.40 54.32 ? 92 HIS a NE2 1 ? ? +25553 ATOM N NE2 B HIS U 1 82 ? -22.584 17.936 -7.988 0.60 53.93 ? 92 HIS a NE2 1 ? ? +25554 ATOM N N A PHE U 1 83 ? -20.962 12.191 -5.721 0.40 53.05 ? 93 PHE a N 1 ? ? +25555 ATOM N N B PHE U 1 83 ? -20.909 12.208 -5.700 0.60 52.83 ? 93 PHE a N 1 ? ? +25556 ATOM C CA A PHE U 1 83 ? -20.787 10.773 -5.462 0.40 52.85 ? 93 PHE a CA 1 ? ? +25557 ATOM C CA B PHE U 1 83 ? -20.766 10.790 -5.424 0.60 52.68 ? 93 PHE a CA 1 ? ? +25558 ATOM C C A PHE U 1 83 ? -21.176 10.009 -6.723 0.40 52.68 ? 93 PHE a C 1 ? ? +25559 ATOM C C B PHE U 1 83 ? -21.187 10.011 -6.664 0.60 52.53 ? 93 PHE a C 1 ? ? +25560 ATOM O O A PHE U 1 83 ? -22.245 10.236 -7.290 0.40 53.10 ? 93 PHE a O 1 ? ? +25561 ATOM O O B PHE U 1 83 ? -22.296 10.204 -7.169 0.60 52.99 ? 93 PHE a O 1 ? ? +25562 ATOM C CB A PHE U 1 83 ? -21.644 10.381 -4.254 0.40 53.43 ? 93 PHE a CB 1 ? ? +25563 ATOM C CB B PHE U 1 83 ? -21.630 10.418 -4.212 0.60 53.28 ? 93 PHE a CB 1 ? ? +25564 ATOM C CG A PHE U 1 83 ? -21.475 8.974 -3.743 0.40 53.34 ? 93 PHE a CG 1 ? ? +25565 ATOM C CG B PHE U 1 83 ? -21.455 9.011 -3.704 0.60 53.19 ? 93 PHE a CG 1 ? ? +25566 ATOM C CD1 A PHE U 1 83 ? -20.240 8.521 -3.312 0.40 52.86 ? 93 PHE a CD1 1 ? ? +25567 ATOM C CD1 B PHE U 1 83 ? -20.202 8.540 -3.344 0.60 52.70 ? 93 PHE a CD1 1 ? ? +25568 ATOM C CD2 A PHE U 1 83 ? -22.559 8.115 -3.661 0.40 53.77 ? 93 PHE a CD2 1 ? ? +25569 ATOM C CD2 B PHE U 1 83 ? -22.546 8.164 -3.567 0.60 53.65 ? 93 PHE a CD2 1 ? ? +25570 ATOM C CE1 A PHE U 1 83 ? -20.086 7.232 -2.837 0.40 52.70 ? 93 PHE a CE1 1 ? ? +25571 ATOM C CE1 B PHE U 1 83 ? -20.036 7.249 -2.875 0.60 52.53 ? 93 PHE a CE1 1 ? ? +25572 ATOM C CE2 A PHE U 1 83 ? -22.403 6.830 -3.172 0.40 53.63 ? 93 PHE a CE2 1 ? ? +25573 ATOM C CE2 B PHE U 1 83 ? -22.377 6.873 -3.095 0.60 53.50 ? 93 PHE a CE2 1 ? ? +25574 ATOM C CZ A PHE U 1 83 ? -21.163 6.395 -2.771 0.40 53.10 ? 93 PHE a CZ 1 ? ? +25575 ATOM C CZ B PHE U 1 83 ? -21.118 6.424 -2.754 0.60 52.94 ? 93 PHE a CZ 1 ? ? +25576 ATOM N N A TYR U 1 84 ? -20.290 9.116 -7.170 0.40 52.05 ? 94 TYR a N 1 ? ? +25577 ATOM N N B TYR U 1 84 ? -20.299 9.133 -7.141 0.60 51.90 ? 94 TYR a N 1 ? ? +25578 ATOM C CA A TYR U 1 84 ? -20.480 8.448 -8.444 0.40 51.85 ? 94 TYR a CA 1 ? ? +25579 ATOM C CA B TYR U 1 84 ? -20.494 8.471 -8.417 0.60 51.73 ? 94 TYR a CA 1 ? ? +25580 ATOM C C A TYR U 1 84 ? -20.312 6.939 -8.302 0.40 51.65 ? 94 TYR a C 1 ? ? +25581 ATOM C C B TYR U 1 84 ? -20.317 6.959 -8.293 0.60 51.59 ? 94 TYR a C 1 ? ? +25582 ATOM O O A TYR U 1 84 ? -19.348 6.367 -8.812 0.40 51.13 ? 94 TYR a O 1 ? ? +25583 ATOM O O B TYR U 1 84 ? -19.348 6.407 -8.808 0.60 51.06 ? 94 TYR a O 1 ? ? +25584 ATOM C CB A TYR U 1 84 ? -19.501 9.024 -9.474 0.40 51.35 ? 94 TYR a CB 1 ? ? +25585 ATOM C CB B TYR U 1 84 ? -19.531 9.082 -9.453 0.60 51.22 ? 94 TYR a CB 1 ? ? +25586 ATOM C CG A TYR U 1 84 ? -19.781 8.650 -10.915 0.40 51.17 ? 94 TYR a CG 1 ? ? +25587 ATOM C CG B TYR U 1 84 ? -19.817 8.694 -10.888 0.60 51.03 ? 94 TYR a CG 1 ? ? +25588 ATOM C CD1 A TYR U 1 84 ? -21.037 8.843 -11.474 0.40 51.65 ? 94 TYR a CD1 1 ? ? +25589 ATOM C CD1 B TYR U 1 84 ? -21.076 8.887 -11.446 0.60 51.50 ? 94 TYR a CD1 1 ? ? +25590 ATOM C CD2 A TYR U 1 84 ? -18.780 8.142 -11.729 0.40 50.54 ? 94 TYR a CD2 1 ? ? +25591 ATOM C CD2 B TYR U 1 84 ? -18.829 8.150 -11.692 0.60 50.38 ? 94 TYR a CD2 1 ? ? +25592 ATOM C CE1 A TYR U 1 84 ? -21.294 8.513 -12.802 0.40 51.55 ? 94 TYR a CE1 1 ? ? +25593 ATOM C CE1 B TYR U 1 84 ? -21.344 8.530 -12.765 0.60 51.40 ? 94 TYR a CE1 1 ? ? +25594 ATOM C CE2 A TYR U 1 84 ? -19.023 7.811 -13.056 0.40 50.43 ? 94 TYR a CE2 1 ? ? +25595 ATOM C CE2 B TYR U 1 84 ? -19.083 7.794 -13.012 0.60 50.26 ? 94 TYR a CE2 1 ? ? +25596 ATOM C CZ A TYR U 1 84 ? -20.281 7.998 -13.592 0.40 50.91 ? 94 TYR a CZ 1 ? ? +25597 ATOM C CZ B TYR U 1 84 ? -20.343 7.983 -13.547 0.60 50.75 ? 94 TYR a CZ 1 ? ? +25598 ATOM O OH A TYR U 1 84 ? -20.513 7.671 -14.908 0.40 50.78 ? 94 TYR a OH 1 ? ? +25599 ATOM O OH B TYR U 1 84 ? -20.605 7.639 -14.850 0.60 50.60 ? 94 TYR a OH 1 ? ? +25600 ATOM N N . PRO U 1 85 ? -21.252 6.247 -7.618 1.00 52.12 ? 95 PRO a N 1 ? ? +25601 ATOM C CA . PRO U 1 85 ? -21.220 4.786 -7.546 1.00 52.05 ? 95 PRO a CA 1 ? ? +25602 ATOM C CB . PRO U 1 85 ? -22.225 4.450 -6.435 1.00 52.67 ? 95 PRO a CB 1 ? ? +25603 ATOM C CG . PRO U 1 85 ? -23.226 5.606 -6.471 1.00 53.22 ? 95 PRO a CG 1 ? ? +25604 ATOM C CD . PRO U 1 85 ? -22.392 6.832 -6.894 1.00 52.91 ? 95 PRO a CD 1 ? ? +25605 ATOM C C . PRO U 1 85 ? -21.644 4.203 -8.887 1.00 52.19 ? 95 PRO a C 1 ? ? +25606 ATOM O O . PRO U 1 85 ? -22.136 4.923 -9.749 1.00 52.51 ? 95 PRO a O 1 ? ? +25607 ATOM N N . ILE U 1 86 ? -21.483 2.892 -9.045 1.00 52.21 ? 96 ILE a N 1 ? ? +25608 ATOM C CA . ILE U 1 86 ? -21.843 2.230 -10.287 1.00 52.40 ? 96 ILE a CA 1 ? ? +25609 ATOM C CB . ILE U 1 86 ? -21.524 0.731 -10.215 1.00 52.09 ? 96 ILE a CB 1 ? ? +25610 ATOM C CG1 . ILE U 1 86 ? -20.008 0.519 -10.093 1.00 51.47 ? 96 ILE a CG1 1 ? ? +25611 ATOM C CG2 . ILE U 1 86 ? -22.088 -0.027 -11.422 1.00 52.09 ? 96 ILE a CG2 1 ? ? +25612 ATOM C CD1 . ILE U 1 86 ? -19.630 -0.901 -9.846 1.00 51.25 ? 96 ILE a CD1 1 ? ? +25613 ATOM C C . ILE U 1 86 ? -23.309 2.454 -10.657 1.00 53.37 ? 96 ILE a C 1 ? ? +25614 ATOM O O . ILE U 1 86 ? -23.623 2.641 -11.829 1.00 53.59 ? 96 ILE a O 1 ? ? +25615 ATOM N N . TRP U 1 87 ? -24.204 2.447 -9.664 1.00 54.16 ? 97 TRP a N 1 ? ? +25616 ATOM C CA . TRP U 1 87 ? -25.636 2.533 -9.928 1.00 55.08 ? 97 TRP a CA 1 ? ? +25617 ATOM C CB . TRP U 1 87 ? -26.443 1.983 -8.726 1.00 55.58 ? 97 TRP a CB 1 ? ? +25618 ATOM C CG . TRP U 1 87 ? -26.171 2.640 -7.400 1.00 55.65 ? 97 TRP a CG 1 ? ? +25619 ATOM C CD1 . TRP U 1 87 ? -26.733 3.784 -6.922 1.00 56.08 ? 97 TRP a CD1 1 ? ? +25620 ATOM N NE1 . TRP U 1 87 ? -26.231 4.072 -5.680 1.00 56.10 ? 97 TRP a NE1 1 ? ? +25621 ATOM C CE2 . TRP U 1 87 ? -25.312 3.114 -5.337 1.00 55.57 ? 97 TRP a CE2 1 ? ? +25622 ATOM C CZ2 . TRP U 1 87 ? -24.539 2.976 -4.188 1.00 55.40 ? 97 TRP a CZ2 1 ? ? +25623 ATOM C CH2 . TRP U 1 87 ? -23.688 1.896 -4.124 1.00 54.92 ? 97 TRP a CH2 1 ? ? +25624 ATOM C CZ3 . TRP U 1 87 ? -23.607 0.968 -5.161 1.00 54.57 ? 97 TRP a CZ3 1 ? ? +25625 ATOM C CE3 . TRP U 1 87 ? -24.385 1.099 -6.295 1.00 54.74 ? 97 TRP a CE3 1 ? ? +25626 ATOM C CD2 . TRP U 1 87 ? -25.253 2.192 -6.397 1.00 55.25 ? 97 TRP a CD2 1 ? ? +25627 ATOM C C . TRP U 1 87 ? -26.098 3.942 -10.301 1.00 55.74 ? 97 TRP a C 1 ? ? +25628 ATOM O O . TRP U 1 87 ? -27.255 4.135 -10.674 1.00 56.17 ? 97 TRP a O 1 ? ? +25629 ATOM N N . GLU U 1 88 ? -25.190 4.928 -10.218 1.00 55.77 ? 98 GLU a N 1 ? ? +25630 ATOM C CA . GLU U 1 88 ? -25.503 6.273 -10.678 1.00 56.36 ? 98 GLU a CA 1 ? ? +25631 ATOM C CB . GLU U 1 88 ? -24.791 7.334 -9.820 1.00 56.74 ? 98 GLU a CB 1 ? ? +25632 ATOM C CG . GLU U 1 88 ? -25.458 7.577 -8.480 1.00 57.77 ? 98 GLU a CG 1 ? ? +25633 ATOM C CD . GLU U 1 88 ? -26.837 8.185 -8.600 1.00 59.18 ? 98 GLU a CD 1 ? ? +25634 ATOM O OE1 . GLU U 1 88 ? -26.951 9.228 -9.283 1.00 60.04 ? 98 GLU a OE1 1 ? ? +25635 ATOM O OE2 . GLU U 1 88 ? -27.803 7.629 -8.030 1.00 60.04 ? 98 GLU a OE2 1 ? ? +25636 ATOM C C . GLU U 1 88 ? -25.145 6.460 -12.152 1.00 55.78 ? 98 GLU a C 1 ? ? +25637 ATOM O O . GLU U 1 88 ? -25.362 7.535 -12.705 1.00 56.24 ? 98 GLU a O 1 ? ? +25638 ATOM N N . ALA U 1 89 ? -24.611 5.413 -12.789 1.00 54.87 ? 99 ALA a N 1 ? ? +25639 ATOM C CA . ALA U 1 89 ? -24.284 5.464 -14.205 1.00 54.33 ? 99 ALA a CA 1 ? ? +25640 ATOM C CB . ALA U 1 89 ? -22.885 4.879 -14.450 1.00 53.52 ? 99 ALA a CB 1 ? ? +25641 ATOM C C . ALA U 1 89 ? -25.330 4.697 -15.008 1.00 54.37 ? 99 ALA a C 1 ? ? +25642 ATOM O O . ALA U 1 89 ? -25.851 3.697 -14.540 1.00 54.46 ? 99 ALA a O 1 ? ? +25643 ATOM N N . ALA U 1 90 ? -25.591 5.144 -16.239 1.00 54.34 ? 100 ALA a N 1 ? ? +25644 ATOM C CA . ALA U 1 90 ? -26.490 4.441 -17.140 1.00 54.58 ? 100 ALA a CA 1 ? ? +25645 ATOM C CB . ALA U 1 90 ? -26.826 5.325 -18.337 1.00 54.76 ? 100 ALA a CB 1 ? ? +25646 ATOM C C . ALA U 1 90 ? -25.895 3.111 -17.601 1.00 54.05 ? 100 ALA a C 1 ? ? +25647 ATOM O O . ALA U 1 90 ? -26.612 2.192 -17.979 1.00 54.26 ? 100 ALA a O 1 ? ? +25648 ATOM N N . SER U 1 91 ? -24.568 3.006 -17.583 1.00 53.39 ? 101 SER a N 1 ? ? +25649 ATOM C CA . SER U 1 91 ? -23.914 1.770 -17.953 1.00 52.95 ? 101 SER a CA 1 ? ? +25650 ATOM C CB . SER U 1 91 ? -23.826 1.649 -19.462 1.00 52.93 ? 101 SER a CB 1 ? ? +25651 ATOM O OG . SER U 1 91 ? -23.029 2.678 -20.008 1.00 52.70 ? 101 SER a OG 1 ? ? +25652 ATOM C C . SER U 1 91 ? -22.516 1.697 -17.361 1.00 52.32 ? 101 SER a C 1 ? ? +25653 ATOM O O . SER U 1 91 ? -22.002 2.699 -16.878 1.00 52.20 ? 101 SER a O 1 ? ? +25654 ATOM N N . LEU U 1 92 ? -21.933 0.499 -17.395 1.00 51.91 ? 102 LEU a N 1 ? ? +25655 ATOM C CA . LEU U 1 92 ? -20.550 0.335 -16.994 1.00 51.53 ? 102 LEU a CA 1 ? ? +25656 ATOM C CB . LEU U 1 92 ? -20.130 -1.142 -16.982 1.00 51.43 ? 102 LEU a CB 1 ? ? +25657 ATOM C CG . LEU U 1 92 ? -20.565 -1.908 -15.725 1.00 51.90 ? 102 LEU a CG 1 ? ? +25658 ATOM C CD1 . LEU U 1 92 ? -20.284 -3.387 -15.856 1.00 51.80 ? 102 LEU a CD1 1 ? ? +25659 ATOM C CD2 . LEU U 1 92 ? -19.865 -1.362 -14.474 1.00 51.82 ? 102 LEU a CD2 1 ? ? +25660 ATOM C C . LEU U 1 92 ? -19.626 1.146 -17.898 1.00 51.00 ? 102 LEU a C 1 ? ? +25661 ATOM O O . LEU U 1 92 ? -18.638 1.709 -17.425 1.00 50.61 ? 102 LEU a O 1 ? ? +25662 ATOM N N . ASP U 1 93 ? -19.959 1.217 -19.193 1.00 50.87 ? 103 ASP a N 1 ? ? +25663 ATOM C CA . ASP U 1 93 ? -19.128 1.925 -20.154 1.00 50.32 ? 103 ASP a CA 1 ? ? +25664 ATOM C CB . ASP U 1 93 ? -19.630 1.721 -21.606 1.00 50.52 ? 103 ASP a CB 1 ? ? +25665 ATOM C CG . ASP U 1 93 ? -19.634 0.283 -22.121 1.00 50.44 ? 103 ASP a CG 1 ? ? +25666 ATOM O OD1 . ASP U 1 93 ? -18.577 -0.302 -22.194 1.00 49.77 ? 103 ASP a OD1 1 ? ? +25667 ATOM O OD2 . ASP U 1 93 ? -20.768 -0.268 -22.435 1.00 51.27 ? 103 ASP a OD2 1 ? ? +25668 ATOM C C . ASP U 1 93 ? -19.080 3.410 -19.793 1.00 50.19 ? 103 ASP a C 1 ? ? +25669 ATOM O O . ASP U 1 93 ? -18.014 4.032 -19.837 1.00 49.87 ? 103 ASP a O 1 ? ? +25670 ATOM N N . GLU U 1 94 ? -20.234 3.969 -19.419 1.00 50.32 ? 104 GLU a N 1 ? ? +25671 ATOM C CA . GLU U 1 94 ? -20.281 5.343 -18.951 1.00 50.30 ? 104 GLU a CA 1 ? ? +25672 ATOM C CB . GLU U 1 94 ? -21.703 5.774 -18.605 1.00 50.95 ? 104 GLU a CB 1 ? ? +25673 ATOM C CG . GLU U 1 94 ? -21.791 7.151 -17.989 1.00 51.24 ? 104 GLU a CG 1 ? ? +25674 ATOM C CD . GLU U 1 94 ? -23.076 7.364 -17.229 1.00 51.95 ? 104 GLU a CD 1 ? ? +25675 ATOM O OE1 . GLU U 1 94 ? -24.159 7.128 -17.808 1.00 52.37 ? 104 GLU a OE1 1 ? ? +25676 ATOM O OE2 . GLU U 1 94 ? -23.001 7.769 -16.049 1.00 52.14 ? 104 GLU a OE2 1 ? ? +25677 ATOM C C . GLU U 1 94 ? -19.399 5.487 -17.718 1.00 49.80 ? 104 GLU a C 1 ? ? +25678 ATOM O O . GLU U 1 94 ? -18.548 6.372 -17.662 1.00 49.57 ? 104 GLU a O 1 ? ? +25679 ATOM N N . TRP U 1 95 ? -19.630 4.608 -16.739 1.00 49.58 ? 105 TRP a N 1 ? ? +25680 ATOM C CA . TRP U 1 95 ? -18.930 4.657 -15.470 1.00 49.27 ? 105 TRP a CA 1 ? ? +25681 ATOM C CB . TRP U 1 95 ? -19.375 3.476 -14.627 1.00 49.42 ? 105 TRP a CB 1 ? ? +25682 ATOM C CG . TRP U 1 95 ? -18.953 3.523 -13.192 1.00 49.51 ? 105 TRP a CG 1 ? ? +25683 ATOM C CD1 . TRP U 1 95 ? -19.394 4.385 -12.232 1.00 49.97 ? 105 TRP a CD1 1 ? ? +25684 ATOM N NE1 . TRP U 1 95 ? -18.796 4.092 -11.023 1.00 49.87 ? 105 TRP a NE1 1 ? ? +25685 ATOM C CE2 . TRP U 1 95 ? -17.954 3.025 -11.194 1.00 49.32 ? 105 TRP a CE2 1 ? ? +25686 ATOM C CZ2 . TRP U 1 95 ? -17.144 2.365 -10.280 1.00 49.09 ? 105 TRP a CZ2 1 ? ? +25687 ATOM C CH2 . TRP U 1 95 ? -16.408 1.303 -10.742 1.00 48.61 ? 105 TRP a CH2 1 ? ? +25688 ATOM C CZ3 . TRP U 1 95 ? -16.470 0.892 -12.073 1.00 48.37 ? 105 TRP a CZ3 1 ? ? +25689 ATOM C CE3 . TRP U 1 95 ? -17.269 1.551 -12.982 1.00 48.63 ? 105 TRP a CE3 1 ? ? +25690 ATOM C CD2 . TRP U 1 95 ? -18.028 2.642 -12.548 1.00 49.10 ? 105 TRP a CD2 1 ? ? +25691 ATOM C C . TRP U 1 95 ? -17.407 4.644 -15.649 1.00 48.43 ? 105 TRP a C 1 ? ? +25692 ATOM O O . TRP U 1 95 ? -16.694 5.333 -14.934 1.00 48.24 ? 105 TRP a O 1 ? ? +25693 ATOM N N . LEU U 1 96 ? -16.932 3.840 -16.600 1.00 47.85 ? 106 LEU a N 1 ? ? +25694 ATOM C CA . LEU U 1 96 ? -15.507 3.696 -16.860 1.00 47.16 ? 106 LEU a CA 1 ? ? +25695 ATOM C CB . LEU U 1 96 ? -15.264 2.480 -17.752 1.00 46.76 ? 106 LEU a CB 1 ? ? +25696 ATOM C CG . LEU U 1 96 ? -15.573 1.133 -17.135 1.00 46.71 ? 106 LEU a CG 1 ? ? +25697 ATOM C CD1 . LEU U 1 96 ? -15.407 0.033 -18.152 1.00 46.44 ? 106 LEU a CD1 1 ? ? +25698 ATOM C CD2 . LEU U 1 96 ? -14.735 0.878 -15.936 1.00 46.49 ? 106 LEU a CD2 1 ? ? +25699 ATOM C C . LEU U 1 96 ? -14.926 4.947 -17.518 1.00 47.03 ? 106 LEU a C 1 ? ? +25700 ATOM O O . LEU U 1 96 ? -13.849 5.406 -17.145 1.00 46.77 ? 106 LEU a O 1 ? ? +25701 ATOM N N A TYR U 1 97 ? -15.669 5.506 -18.479 0.40 47.31 ? 107 TYR a N 1 ? ? +25702 ATOM N N B TYR U 1 97 ? -15.649 5.506 -18.493 0.60 47.26 ? 107 TYR a N 1 ? ? +25703 ATOM C CA A TYR U 1 97 ? -15.253 6.708 -19.181 0.40 47.29 ? 107 TYR a CA 1 ? ? +25704 ATOM C CA B TYR U 1 97 ? -15.209 6.710 -19.180 0.60 47.21 ? 107 TYR a CA 1 ? ? +25705 ATOM C C A TYR U 1 97 ? -15.022 7.861 -18.207 0.40 47.45 ? 107 TYR a C 1 ? ? +25706 ATOM C C B TYR U 1 97 ? -14.973 7.855 -18.194 0.60 47.36 ? 107 TYR a C 1 ? ? +25707 ATOM O O A TYR U 1 97 ? -14.051 8.606 -18.334 0.40 47.26 ? 107 TYR a O 1 ? ? +25708 ATOM O O B TYR U 1 97 ? -13.938 8.520 -18.247 0.60 47.13 ? 107 TYR a O 1 ? ? +25709 ATOM C CB A TYR U 1 97 ? -16.301 7.079 -20.237 0.40 47.68 ? 107 TYR a CB 1 ? ? +25710 ATOM C CB B TYR U 1 97 ? -16.237 7.089 -20.254 0.60 47.57 ? 107 TYR a CB 1 ? ? +25711 ATOM C CG A TYR U 1 97 ? -15.950 8.299 -21.056 0.40 47.74 ? 107 TYR a CG 1 ? ? +25712 ATOM C CG B TYR U 1 97 ? -15.909 8.329 -21.052 0.60 47.64 ? 107 TYR a CG 1 ? ? +25713 ATOM C CD1 A TYR U 1 97 ? -16.262 9.575 -20.609 0.40 48.11 ? 107 TYR a CD1 1 ? ? +25714 ATOM C CD1 B TYR U 1 97 ? -16.200 9.593 -20.560 0.60 47.98 ? 107 TYR a CD1 1 ? ? +25715 ATOM C CD2 A TYR U 1 97 ? -15.295 8.179 -22.272 0.40 47.47 ? 107 TYR a CD2 1 ? ? +25716 ATOM C CD2 B TYR U 1 97 ? -15.316 8.240 -22.306 0.60 47.37 ? 107 TYR a CD2 1 ? ? +25717 ATOM C CE1 A TYR U 1 97 ? -15.939 10.701 -21.358 0.40 48.21 ? 107 TYR a CE1 1 ? ? +25718 ATOM C CE1 B TYR U 1 97 ? -15.909 10.739 -21.290 0.60 48.09 ? 107 TYR a CE1 1 ? ? +25719 ATOM C CE2 A TYR U 1 97 ? -14.970 9.297 -23.031 0.40 47.56 ? 107 TYR a CE2 1 ? ? +25720 ATOM C CE2 B TYR U 1 97 ? -15.021 9.381 -23.047 0.60 47.48 ? 107 TYR a CE2 1 ? ? +25721 ATOM C CZ A TYR U 1 97 ? -15.297 10.558 -22.569 0.40 47.94 ? 107 TYR a CZ 1 ? ? +25722 ATOM C CZ B TYR U 1 97 ? -15.329 10.629 -22.533 0.60 47.84 ? 107 TYR a CZ 1 ? ? +25723 ATOM O OH A TYR U 1 97 ? -14.983 11.671 -23.307 0.40 48.09 ? 107 TYR a OH 1 ? ? +25724 ATOM O OH B TYR U 1 97 ? -15.068 11.779 -23.223 0.60 48.02 ? 107 TYR a OH 1 ? ? +25725 ATOM N N A ASN U 1 98 ? -15.909 7.972 -17.212 0.40 47.79 ? 108 ASN a N 1 ? ? +25726 ATOM N N B ASN U 1 98 ? -15.920 8.039 -17.265 0.60 47.70 ? 108 ASN a N 1 ? ? +25727 ATOM C CA A ASN U 1 98 ? -15.896 9.094 -16.289 0.40 48.03 ? 108 ASN a CA 1 ? ? +25728 ATOM C CA B ASN U 1 98 ? -15.890 9.152 -16.329 0.60 47.92 ? 108 ASN a CA 1 ? ? +25729 ATOM C C A ASN U 1 98 ? -15.034 8.860 -15.051 0.40 47.75 ? 108 ASN a C 1 ? ? +25730 ATOM C C B ASN U 1 98 ? -15.068 8.896 -15.068 0.60 47.65 ? 108 ASN a C 1 ? ? +25731 ATOM O O A ASN U 1 98 ? -15.018 9.687 -14.145 0.40 47.97 ? 108 ASN a O 1 ? ? +25732 ATOM O O B ASN U 1 98 ? -15.028 9.746 -14.184 0.60 47.87 ? 108 ASN a O 1 ? ? +25733 ATOM C CB A ASN U 1 98 ? -17.334 9.432 -15.863 0.40 48.62 ? 108 ASN a CB 1 ? ? +25734 ATOM C CB B ASN U 1 98 ? -17.339 9.532 -15.954 0.60 48.53 ? 108 ASN a CB 1 ? ? +25735 ATOM C CG A ASN U 1 98 ? -18.142 10.030 -16.976 0.40 48.96 ? 108 ASN a CG 1 ? ? +25736 ATOM C CG B ASN U 1 98 ? -18.105 10.036 -17.144 0.60 48.81 ? 108 ASN a CG 1 ? ? +25737 ATOM O OD1 A ASN U 1 98 ? -18.435 11.218 -16.979 0.40 49.30 ? 108 ASN a OD1 1 ? ? +25738 ATOM O OD1 B ASN U 1 98 ? -17.970 11.180 -17.573 0.60 48.95 ? 108 ASN a OD1 1 ? ? +25739 ATOM N ND2 A ASN U 1 98 ? -18.513 9.218 -17.947 0.40 48.89 ? 108 ASN a ND2 1 ? ? +25740 ATOM N ND2 B ASN U 1 98 ? -18.901 9.177 -17.724 0.60 48.93 ? 108 ASN a ND2 1 ? ? +25741 ATOM N N A GLY U 1 99 ? -14.315 7.736 -15.017 0.40 47.32 ? 109 GLY a N 1 ? ? +25742 ATOM N N B GLY U 1 99 ? -14.428 7.724 -14.982 0.60 47.25 ? 109 GLY a N 1 ? ? +25743 ATOM C CA A GLY U 1 99 ? -13.398 7.448 -13.926 0.40 47.06 ? 109 GLY a CA 1 ? ? +25744 ATOM C CA B GLY U 1 99 ? -13.450 7.444 -13.942 0.60 46.96 ? 109 GLY a CA 1 ? ? +25745 ATOM C C A GLY U 1 99 ? -14.078 6.939 -12.659 0.40 47.32 ? 109 GLY a C 1 ? ? +25746 ATOM C C B GLY U 1 99 ? -14.029 6.952 -12.617 0.60 47.20 ? 109 GLY a C 1 ? ? +25747 ATOM O O A GLY U 1 99 ? -13.603 7.176 -11.553 0.40 47.33 ? 109 GLY a O 1 ? ? +25748 ATOM O O B GLY U 1 99 ? -13.471 7.212 -11.556 0.60 47.18 ? 109 GLY a O 1 ? ? +25749 ATOM N N A GLY U 1 100 ? -15.197 6.232 -12.827 0.40 47.57 ? 110 GLY a N 1 ? ? +25750 ATOM N N B GLY U 1 100 ? -15.144 6.222 -12.690 0.60 47.47 ? 110 GLY a N 1 ? ? +25751 ATOM C CA A GLY U 1 100 ? -15.885 5.625 -11.701 0.40 47.82 ? 110 GLY a CA 1 ? ? +25752 ATOM C CA B GLY U 1 100 ? -15.790 5.677 -11.506 0.60 47.71 ? 110 GLY a CA 1 ? ? +25753 ATOM C C A GLY U 1 100 ? -14.947 4.824 -10.798 0.40 47.43 ? 110 GLY a C 1 ? ? +25754 ATOM C C B GLY U 1 100 ? -14.887 4.781 -10.656 0.60 47.32 ? 110 GLY a C 1 ? ? +25755 ATOM O O A GLY U 1 100 ? -14.933 5.019 -9.590 0.40 47.63 ? 110 GLY a O 1 ? ? +25756 ATOM O O B GLY U 1 100 ? -14.845 4.913 -9.437 0.60 47.49 ? 110 GLY a O 1 ? ? +25757 ATOM N N A PRO U 1 101 ? -14.145 3.884 -11.340 0.40 46.89 ? 111 PRO a N 1 ? ? +25758 ATOM N N B PRO U 1 101 ? -14.150 3.820 -11.251 0.60 46.80 ? 111 PRO a N 1 ? ? +25759 ATOM C CA A PRO U 1 101 ? -13.295 3.035 -10.501 0.40 46.60 ? 111 PRO a CA 1 ? ? +25760 ATOM C CA B PRO U 1 101 ? -13.255 2.973 -10.458 0.60 46.49 ? 111 PRO a CA 1 ? ? +25761 ATOM C C A PRO U 1 101 ? -12.465 3.752 -9.428 0.40 46.53 ? 111 PRO a C 1 ? ? +25762 ATOM C C B PRO U 1 101 ? -12.390 3.705 -9.422 0.60 46.41 ? 111 PRO a C 1 ? ? +25763 ATOM O O A PRO U 1 101 ? -12.327 3.249 -8.315 0.40 46.59 ? 111 PRO a O 1 ? ? +25764 ATOM O O B PRO U 1 101 ? -12.194 3.199 -8.320 0.60 46.46 ? 111 PRO a O 1 ? ? +25765 ATOM C CB A PRO U 1 101 ? -12.418 2.326 -11.543 0.40 46.11 ? 111 PRO a CB 1 ? ? +25766 ATOM C CB B PRO U 1 101 ? -12.418 2.277 -11.543 0.60 46.02 ? 111 PRO a CB 1 ? ? +25767 ATOM C CG A PRO U 1 101 ? -13.324 2.266 -12.798 0.40 46.23 ? 111 PRO a CG 1 ? ? +25768 ATOM C CG B PRO U 1 101 ? -13.391 2.205 -12.754 0.60 46.16 ? 111 PRO a CG 1 ? ? +25769 ATOM C CD A PRO U 1 101 ? -14.061 3.565 -12.777 0.40 46.63 ? 111 PRO a CD 1 ? ? +25770 ATOM C CD B PRO U 1 101 ? -14.165 3.481 -12.687 0.60 46.57 ? 111 PRO a CD 1 ? ? +25771 ATOM N N A TYR U 1 102 ? -11.915 4.928 -9.754 0.40 46.42 ? 112 TYR a N 1 ? ? +25772 ATOM N N B TYR U 1 102 ? -11.881 4.897 -9.759 0.60 46.33 ? 112 TYR a N 1 ? ? +25773 ATOM C CA A TYR U 1 102 ? -11.139 5.713 -8.801 0.40 46.40 ? 112 TYR a CA 1 ? ? +25774 ATOM C CA B TYR U 1 102 ? -11.086 5.685 -8.824 0.60 46.31 ? 112 TYR a CA 1 ? ? +25775 ATOM C C A TYR U 1 102 ? -11.881 5.945 -7.487 0.40 46.84 ? 112 TYR a C 1 ? ? +25776 ATOM C C B TYR U 1 102 ? -11.810 5.917 -7.502 0.60 46.75 ? 112 TYR a C 1 ? ? +25777 ATOM O O A TYR U 1 102 ? -11.342 5.697 -6.410 0.40 46.81 ? 112 TYR a O 1 ? ? +25778 ATOM O O B TYR U 1 102 ? -11.245 5.687 -6.436 0.60 46.72 ? 112 TYR a O 1 ? ? +25779 ATOM C CB A TYR U 1 102 ? -10.782 7.080 -9.393 0.40 46.41 ? 112 TYR a CB 1 ? ? +25780 ATOM C CB B TYR U 1 102 ? -10.733 7.057 -9.407 0.60 46.32 ? 112 TYR a CB 1 ? ? +25781 ATOM C CG A TYR U 1 102 ? -9.872 7.923 -8.527 0.40 46.41 ? 112 TYR a CG 1 ? ? +25782 ATOM C CG B TYR U 1 102 ? -9.828 7.897 -8.532 0.60 46.34 ? 112 TYR a CG 1 ? ? +25783 ATOM C CD1 A TYR U 1 102 ? -8.513 7.645 -8.432 0.40 46.03 ? 112 TYR a CD1 1 ? ? +25784 ATOM C CD1 B TYR U 1 102 ? -8.453 7.669 -8.490 0.60 45.96 ? 112 TYR a CD1 1 ? ? +25785 ATOM C CD2 A TYR U 1 102 ? -10.360 9.015 -7.828 0.40 46.83 ? 112 TYR a CD2 1 ? ? +25786 ATOM C CD2 B TYR U 1 102 ? -10.335 8.936 -7.770 0.60 46.76 ? 112 TYR a CD2 1 ? ? +25787 ATOM C CE1 A TYR U 1 102 ? -7.666 8.427 -7.655 0.40 46.07 ? 112 TYR a CE1 1 ? ? +25788 ATOM C CE1 B TYR U 1 102 ? -7.611 8.453 -7.707 0.60 46.00 ? 112 TYR a CE1 1 ? ? +25789 ATOM C CE2 A TYR U 1 102 ? -9.524 9.801 -7.043 0.40 46.87 ? 112 TYR a CE2 1 ? ? +25790 ATOM C CE2 B TYR U 1 102 ? -9.504 9.722 -6.978 0.60 46.80 ? 112 TYR a CE2 1 ? ? +25791 ATOM C CZ A TYR U 1 102 ? -8.175 9.505 -6.960 0.40 46.49 ? 112 TYR a CZ 1 ? ? +25792 ATOM C CZ B TYR U 1 102 ? -8.140 9.477 -6.949 0.60 46.42 ? 112 TYR a CZ 1 ? ? +25793 ATOM O OH A TYR U 1 102 ? -7.339 10.274 -6.190 0.40 46.55 ? 112 TYR a OH 1 ? ? +25794 ATOM O OH B TYR U 1 102 ? -7.319 10.250 -6.174 0.60 46.48 ? 112 TYR a OH 1 ? ? +25795 ATOM N N A GLN U 1 103 ? -13.118 6.448 -7.591 0.40 47.26 ? 113 GLN a N 1 ? ? +25796 ATOM N N B GLN U 1 103 ? -13.057 6.403 -7.595 0.60 47.18 ? 113 GLN a N 1 ? ? +25797 ATOM C CA A GLN U 1 103 ? -13.935 6.701 -6.416 0.40 47.72 ? 113 GLN a CA 1 ? ? +25798 ATOM C CA B GLN U 1 103 ? -13.870 6.670 -6.421 0.60 47.65 ? 113 GLN a CA 1 ? ? +25799 ATOM C C A GLN U 1 103 ? -14.123 5.421 -5.611 0.40 47.73 ? 113 GLN a C 1 ? ? +25800 ATOM C C B GLN U 1 103 ? -14.091 5.401 -5.609 0.60 47.69 ? 113 GLN a C 1 ? ? +25801 ATOM O O A GLN U 1 103 ? -13.984 5.444 -4.392 0.40 47.91 ? 113 GLN a O 1 ? ? +25802 ATOM O O B GLN U 1 103 ? -13.977 5.411 -4.389 0.60 47.89 ? 113 GLN a O 1 ? ? +25803 ATOM C CB A GLN U 1 103 ? -15.293 7.310 -6.786 0.40 48.19 ? 113 GLN a CB 1 ? ? +25804 ATOM C CB B GLN U 1 103 ? -15.223 7.257 -6.807 0.60 48.09 ? 113 GLN a CB 1 ? ? +25805 ATOM C CG A GLN U 1 103 ? -15.186 8.777 -7.136 0.40 48.33 ? 113 GLN a CG 1 ? ? +25806 ATOM C CG B GLN U 1 103 ? -15.172 8.731 -7.148 0.60 48.24 ? 113 GLN a CG 1 ? ? +25807 ATOM C CD A GLN U 1 103 ? -16.512 9.485 -7.067 0.40 48.91 ? 113 GLN a CD 1 ? ? +25808 ATOM C CD B GLN U 1 103 ? -16.551 9.341 -7.062 0.60 48.82 ? 113 GLN a CD 1 ? ? +25809 ATOM O OE1 A GLN U 1 103 ? -17.501 8.964 -6.555 0.40 49.23 ? 113 GLN a OE1 1 ? ? +25810 ATOM O OE1 B GLN U 1 103 ? -17.468 8.748 -6.509 0.60 49.10 ? 113 GLN a OE1 1 ? ? +25811 ATOM N NE2 A GLN U 1 103 ? -16.538 10.707 -7.564 0.40 49.06 ? 113 GLN a NE2 1 ? ? +25812 ATOM N NE2 B GLN U 1 103 ? -16.704 10.543 -7.578 0.60 49.00 ? 113 GLN a NE2 1 ? ? +25813 ATOM N N . LEU U 1 104 ? -14.406 4.310 -6.304 1.00 47.57 ? 114 LEU a N 1 ? ? +25814 ATOM C CA . LEU U 1 104 ? -14.630 3.034 -5.645 1.00 47.66 ? 114 LEU a CA 1 ? ? +25815 ATOM C CB . LEU U 1 104 ? -15.035 1.943 -6.658 1.00 47.50 ? 114 LEU a CB 1 ? ? +25816 ATOM C CG . LEU U 1 104 ? -15.615 0.656 -6.031 1.00 47.70 ? 114 LEU a CG 1 ? ? +25817 ATOM C CD1 . LEU U 1 104 ? -16.671 0.019 -6.887 1.00 47.86 ? 114 LEU a CD1 1 ? ? +25818 ATOM C CD2 . LEU U 1 104 ? -14.555 -0.374 -5.808 1.00 47.29 ? 114 LEU a CD2 1 ? ? +25819 ATOM C C . LEU U 1 104 ? -13.389 2.620 -4.860 1.00 47.47 ? 114 LEU a C 1 ? ? +25820 ATOM O O . LEU U 1 104 ? -13.478 2.275 -3.682 1.00 47.66 ? 114 LEU a O 1 ? ? +25821 ATOM N N . ILE U 1 105 ? -12.220 2.704 -5.515 1.00 47.17 ? 115 ILE a N 1 ? ? +25822 ATOM C CA . ILE U 1 105 ? -10.981 2.287 -4.880 1.00 47.00 ? 115 ILE a CA 1 ? ? +25823 ATOM C CB . ILE U 1 105 ? -9.853 2.222 -5.891 1.00 46.51 ? 115 ILE a CB 1 ? ? +25824 ATOM C CG1 . ILE U 1 105 ? -10.162 1.145 -6.935 1.00 46.28 ? 115 ILE a CG1 1 ? ? +25825 ATOM C CG2 . ILE U 1 105 ? -8.531 1.953 -5.206 1.00 46.29 ? 115 ILE a CG2 1 ? ? +25826 ATOM C CD1 . ILE U 1 105 ? -9.407 1.241 -8.125 1.00 45.89 ? 115 ILE a CD1 1 ? ? +25827 ATOM C C . ILE U 1 105 ? -10.644 3.132 -3.655 1.00 47.38 ? 115 ILE a C 1 ? ? +25828 ATOM O O . ILE U 1 105 ? -10.407 2.576 -2.588 1.00 47.51 ? 115 ILE a O 1 ? ? +25829 ATOM N N A ILE U 1 106 ? -10.675 4.461 -3.787 0.40 47.63 ? 116 ILE a N 1 ? ? +25830 ATOM N N B ILE U 1 106 ? -10.644 4.463 -3.789 0.60 47.62 ? 116 ILE a N 1 ? ? +25831 ATOM C CA A ILE U 1 106 ? -10.203 5.307 -2.702 0.40 47.92 ? 116 ILE a CA 1 ? ? +25832 ATOM C CA B ILE U 1 106 ? -10.197 5.309 -2.692 0.60 47.94 ? 116 ILE a CA 1 ? ? +25833 ATOM C C A ILE U 1 106 ? -11.133 5.297 -1.490 0.40 48.49 ? 116 ILE a C 1 ? ? +25834 ATOM C C B ILE U 1 106 ? -11.131 5.279 -1.483 0.60 48.51 ? 116 ILE a C 1 ? ? +25835 ATOM O O A ILE U 1 106 ? -10.657 5.263 -0.360 0.40 48.62 ? 116 ILE a O 1 ? ? +25836 ATOM O O B ILE U 1 106 ? -10.655 5.238 -0.353 0.60 48.64 ? 116 ILE a O 1 ? ? +25837 ATOM C CB A ILE U 1 106 ? -9.886 6.748 -3.163 0.40 47.99 ? 116 ILE a CB 1 ? ? +25838 ATOM C CB B ILE U 1 106 ? -9.895 6.769 -3.132 0.60 48.02 ? 116 ILE a CB 1 ? ? +25839 ATOM C CG1 A ILE U 1 106 ? -11.103 7.470 -3.700 0.40 48.34 ? 116 ILE a CG1 1 ? ? +25840 ATOM C CG1 B ILE U 1 106 ? -11.125 7.506 -3.623 0.60 48.40 ? 116 ILE a CG1 1 ? ? +25841 ATOM C CG2 A ILE U 1 106 ? -8.743 6.751 -4.179 0.40 47.50 ? 116 ILE a CG2 1 ? ? +25842 ATOM C CG2 B ILE U 1 106 ? -8.768 6.806 -4.174 0.60 47.54 ? 116 ILE a CG2 1 ? ? +25843 ATOM C CD1 A ILE U 1 106 ? -10.914 8.939 -3.770 0.40 48.54 ? 116 ILE a CD1 1 ? ? +25844 ATOM C CD1 B ILE U 1 106 ? -10.906 8.962 -3.774 0.60 48.57 ? 116 ILE a CD1 1 ? ? +25845 ATOM N N A PHE U 1 107 ? -12.451 5.310 -1.714 0.40 48.91 ? 117 PHE a N 1 ? ? +25846 ATOM N N B PHE U 1 107 ? -12.451 5.279 -1.709 0.60 48.92 ? 117 PHE a N 1 ? ? +25847 ATOM C CA A PHE U 1 107 ? -13.398 5.294 -0.607 0.40 49.49 ? 117 PHE a CA 1 ? ? +25848 ATOM C CA B PHE U 1 107 ? -13.407 5.288 -0.610 0.60 49.51 ? 117 PHE a CA 1 ? ? +25849 ATOM C C A PHE U 1 107 ? -13.286 4.008 0.207 0.40 49.51 ? 117 PHE a C 1 ? ? +25850 ATOM C C B PHE U 1 107 ? -13.367 3.999 0.206 0.60 49.56 ? 117 PHE a C 1 ? ? +25851 ATOM O O A PHE U 1 107 ? -13.215 4.057 1.435 0.40 49.83 ? 117 PHE a O 1 ? ? +25852 ATOM O O B PHE U 1 107 ? -13.439 4.035 1.431 0.60 49.93 ? 117 PHE a O 1 ? ? +25853 ATOM C CB A PHE U 1 107 ? -14.830 5.483 -1.104 0.40 49.88 ? 117 PHE a CB 1 ? ? +25854 ATOM C CB B PHE U 1 107 ? -14.823 5.518 -1.124 0.60 49.90 ? 117 PHE a CB 1 ? ? +25855 ATOM C CG A PHE U 1 107 ? -15.083 6.843 -1.697 0.40 50.06 ? 117 PHE a CG 1 ? ? +25856 ATOM C CG B PHE U 1 107 ? -15.056 6.854 -1.771 0.60 50.08 ? 117 PHE a CG 1 ? ? +25857 ATOM C CD1 A PHE U 1 107 ? -14.196 7.881 -1.494 0.40 49.99 ? 117 PHE a CD1 1 ? ? +25858 ATOM C CD1 B PHE U 1 107 ? -14.180 7.906 -1.570 0.60 50.03 ? 117 PHE a CD1 1 ? ? +25859 ATOM C CD2 A PHE U 1 107 ? -16.198 7.078 -2.477 0.40 50.35 ? 117 PHE a CD2 1 ? ? +25860 ATOM C CD2 B PHE U 1 107 ? -16.147 7.058 -2.594 0.60 50.35 ? 117 PHE a CD2 1 ? ? +25861 ATOM C CE1 A PHE U 1 107 ? -14.427 9.132 -2.049 0.40 50.17 ? 117 PHE a CE1 1 ? ? +25862 ATOM C CE1 B PHE U 1 107 ? -14.398 9.134 -2.174 0.60 50.20 ? 117 PHE a CE1 1 ? ? +25863 ATOM C CE2 A PHE U 1 107 ? -16.428 8.327 -3.027 0.40 50.51 ? 117 PHE a CE2 1 ? ? +25864 ATOM C CE2 B PHE U 1 107 ? -16.369 8.292 -3.186 0.60 50.52 ? 117 PHE a CE2 1 ? ? +25865 ATOM C CZ A PHE U 1 107 ? -15.543 9.350 -2.805 0.40 50.43 ? 117 PHE a CZ 1 ? ? +25866 ATOM C CZ B PHE U 1 107 ? -15.493 9.323 -2.971 0.60 50.44 ? 117 PHE a CZ 1 ? ? +25867 ATOM N N . HIS U 1 108 ? -13.259 2.863 -0.486 1.00 49.25 ? 118 HIS a N 1 ? ? +25868 ATOM C CA . HIS U 1 108 ? -13.051 1.580 0.169 1.00 49.25 ? 118 HIS a CA 1 ? ? +25869 ATOM C CB . HIS U 1 108 ? -13.179 0.453 -0.846 1.00 48.86 ? 118 HIS a CB 1 ? ? +25870 ATOM C CG . HIS U 1 108 ? -14.576 0.216 -1.314 1.00 49.14 ? 118 HIS a CG 1 ? ? +25871 ATOM N ND1 . HIS U 1 108 ? -15.387 -0.728 -0.692 1.00 49.44 ? 118 HIS a ND1 1 ? ? +25872 ATOM C CE1 . HIS U 1 108 ? -16.521 -0.688 -1.334 1.00 49.60 ? 118 HIS a CE1 1 ? ? +25873 ATOM N NE2 . HIS U 1 108 ? -16.518 0.246 -2.284 1.00 49.48 ? 118 HIS a NE2 1 ? ? +25874 ATOM C CD2 . HIS U 1 108 ? -15.295 0.838 -2.270 1.00 49.17 ? 118 HIS a CD2 1 ? ? +25875 ATOM C C . HIS U 1 108 ? -11.690 1.519 0.873 1.00 49.18 ? 118 HIS a C 1 ? ? +25876 ATOM O O . HIS U 1 108 ? -11.599 1.086 2.018 1.00 49.44 ? 118 HIS a O 1 ? ? +25877 ATOM N N . PHE U 1 109 ? -10.636 1.975 0.187 1.00 48.96 ? 119 PHE a N 1 ? ? +25878 ATOM C CA . PHE U 1 109 ? -9.297 2.003 0.759 1.00 48.96 ? 119 PHE a CA 1 ? ? +25879 ATOM C CB . PHE U 1 109 ? -8.278 2.567 -0.245 1.00 48.66 ? 119 PHE a CB 1 ? ? +25880 ATOM C CG . PHE U 1 109 ? -6.937 2.818 0.379 1.00 48.65 ? 119 PHE a CG 1 ? ? +25881 ATOM C CD1 . PHE U 1 109 ? -6.103 1.770 0.703 1.00 48.51 ? 119 PHE a CD1 1 ? ? +25882 ATOM C CD2 . PHE U 1 109 ? -6.531 4.099 0.692 1.00 48.89 ? 119 PHE a CD2 1 ? ? +25883 ATOM C CE1 . PHE U 1 109 ? -4.863 2.001 1.285 1.00 48.47 ? 119 PHE a CE1 1 ? ? +25884 ATOM C CE2 . PHE U 1 109 ? -5.282 4.326 1.267 1.00 48.84 ? 119 PHE a CE2 1 ? ? +25885 ATOM C CZ . PHE U 1 109 ? -4.467 3.275 1.569 1.00 48.62 ? 119 PHE a CZ 1 ? ? +25886 ATOM C C . PHE U 1 109 ? -9.195 2.824 2.042 1.00 49.39 ? 119 PHE a C 1 ? ? +25887 ATOM O O . PHE U 1 109 ? -8.632 2.352 3.030 1.00 49.49 ? 119 PHE a O 1 ? ? +25888 ATOM N N A LEU U 1 110 ? -9.726 4.053 2.016 0.40 49.66 ? 120 LEU a N 1 ? ? +25889 ATOM N N B LEU U 1 110 ? -9.751 4.044 2.014 0.60 49.72 ? 120 LEU a N 1 ? ? +25890 ATOM C CA A LEU U 1 110 ? -9.653 4.940 3.167 0.40 50.05 ? 120 LEU a CA 1 ? ? +25891 ATOM C CA B LEU U 1 110 ? -9.677 4.953 3.146 0.60 50.13 ? 120 LEU a CA 1 ? ? +25892 ATOM C C A LEU U 1 110 ? -10.422 4.366 4.355 0.40 50.51 ? 120 LEU a C 1 ? ? +25893 ATOM C C B LEU U 1 110 ? -10.426 4.379 4.343 0.60 50.57 ? 120 LEU a C 1 ? ? +25894 ATOM O O A LEU U 1 110 ? -9.966 4.459 5.493 0.40 50.77 ? 120 LEU a O 1 ? ? +25895 ATOM O O B LEU U 1 110 ? -9.951 4.474 5.474 0.60 50.83 ? 120 LEU a O 1 ? ? +25896 ATOM C CB A LEU U 1 110 ? -10.182 6.329 2.807 0.40 50.28 ? 120 LEU a CB 1 ? ? +25897 ATOM C CB B LEU U 1 110 ? -10.228 6.338 2.774 0.60 50.41 ? 120 LEU a CB 1 ? ? +25898 ATOM C CG A LEU U 1 110 ? -9.271 7.143 1.895 0.40 49.95 ? 120 LEU a CG 1 ? ? +25899 ATOM C CG B LEU U 1 110 ? -9.308 7.202 1.907 0.60 50.11 ? 120 LEU a CG 1 ? ? +25900 ATOM C CD1 A LEU U 1 110 ? -9.895 8.461 1.522 0.40 50.21 ? 120 LEU a CD1 1 ? ? +25901 ATOM C CD1 B LEU U 1 110 ? -9.961 8.503 1.526 0.60 50.37 ? 120 LEU a CD1 1 ? ? +25902 ATOM C CD2 A LEU U 1 110 ? -7.911 7.386 2.541 0.40 49.84 ? 120 LEU a CD2 1 ? ? +25903 ATOM C CD2 B LEU U 1 110 ? -7.995 7.498 2.607 0.60 50.04 ? 120 LEU a CD2 1 ? ? +25904 ATOM N N . LEU U 1 111 ? -11.584 3.766 4.079 1.00 50.68 ? 121 LEU a N 1 ? ? +25905 ATOM C CA . LEU U 1 111 ? -12.328 3.053 5.103 1.00 51.05 ? 121 LEU a CA 1 ? ? +25906 ATOM C CB . LEU U 1 111 ? -13.642 2.494 4.549 1.00 51.31 ? 121 LEU a CB 1 ? ? +25907 ATOM C CG . LEU U 1 111 ? -14.826 3.233 4.984 1.00 52.00 ? 121 LEU a CG 1 ? ? +25908 ATOM C CD1 . LEU U 1 111 ? -16.086 2.689 4.317 1.00 52.29 ? 121 LEU a CD1 1 ? ? +25909 ATOM C CD2 . LEU U 1 111 ? -14.951 3.146 6.488 1.00 52.49 ? 121 LEU a CD2 1 ? ? +25910 ATOM C C . LEU U 1 111 ? -11.522 1.892 5.673 1.00 50.68 ? 121 LEU a C 1 ? ? +25911 ATOM O O . LEU U 1 111 ? -11.422 1.734 6.888 1.00 51.00 ? 121 LEU a O 1 ? ? +25912 ATOM N N . GLY U 1 112 ? -11.004 1.058 4.776 1.00 50.01 ? 122 GLY a N 1 ? ? +25913 ATOM C CA . GLY U 1 112 ? -10.236 -0.102 5.184 1.00 49.78 ? 122 GLY a CA 1 ? ? +25914 ATOM C C . GLY U 1 112 ? -8.968 0.234 5.975 1.00 49.62 ? 122 GLY a C 1 ? ? +25915 ATOM O O . GLY U 1 112 ? -8.620 -0.475 6.916 1.00 49.73 ? 122 GLY a O 1 ? ? +25916 ATOM N N . ALA U 1 113 ? -8.289 1.321 5.587 1.00 49.30 ? 123 ALA a N 1 ? ? +25917 ATOM C CA . ALA U 1 113 ? -7.050 1.714 6.238 1.00 49.17 ? 123 ALA a CA 1 ? ? +25918 ATOM C CB . ALA U 1 113 ? -6.276 2.660 5.347 1.00 48.83 ? 123 ALA a CB 1 ? ? +25919 ATOM C C . ALA U 1 113 ? -7.326 2.351 7.597 1.00 49.59 ? 123 ALA a C 1 ? ? +25920 ATOM O O . ALA U 1 113 ? -6.535 2.199 8.530 1.00 49.66 ? 123 ALA a O 1 ? ? +25921 ATOM N N . SER U 1 114 ? -8.451 3.076 7.696 1.00 49.81 ? 124 SER a N 1 ? ? +25922 ATOM C CA . SER U 1 114 ? -8.899 3.602 8.976 1.00 50.31 ? 124 SER a CA 1 ? ? +25923 ATOM C CB . SER U 1 114 ? -10.104 4.520 8.799 1.00 50.64 ? 124 SER a CB 1 ? ? +25924 ATOM O OG . SER U 1 114 ? -9.762 5.602 7.948 1.00 50.41 ? 124 SER a OG 1 ? ? +25925 ATOM C C . SER U 1 114 ? -9.202 2.476 9.967 1.00 50.52 ? 124 SER a C 1 ? ? +25926 ATOM O O . SER U 1 114 ? -8.864 2.567 11.148 1.00 50.81 ? 124 SER a O 1 ? ? +25927 ATOM N N . CYS U 1 115 ? -9.806 1.394 9.476 1.00 50.36 ? 125 CYS a N 1 ? ? +25928 ATOM C CA . CYS U 1 115 ? -10.064 0.230 10.305 1.00 50.60 ? 125 CYS a CA 1 ? ? +25929 ATOM C CB . CYS U 1 115 ? -11.142 -0.627 9.660 1.00 50.69 ? 125 CYS a CB 1 ? ? +25930 ATOM S SG . CYS U 1 115 ? -12.751 0.203 9.572 1.00 51.34 ? 125 CYS a SG 1 ? ? +25931 ATOM C C . CYS U 1 115 ? -8.796 -0.567 10.622 1.00 50.26 ? 125 CYS a C 1 ? ? +25932 ATOM O O . CYS U 1 115 ? -8.687 -1.195 11.673 1.00 50.53 ? 125 CYS a O 1 ? ? +25933 ATOM N N A TYR U 1 116 ? -7.831 -0.535 9.697 0.40 49.67 ? 126 TYR a N 1 ? ? +25934 ATOM N N B TYR U 1 116 ? -7.829 -0.529 9.703 0.60 49.68 ? 126 TYR a N 1 ? ? +25935 ATOM C CA A TYR U 1 116 ? -6.515 -1.097 9.943 0.40 49.39 ? 126 TYR a CA 1 ? ? +25936 ATOM C CA B TYR U 1 116 ? -6.517 -1.101 9.943 0.60 49.38 ? 126 TYR a CA 1 ? ? +25937 ATOM C C A TYR U 1 116 ? -5.891 -0.468 11.188 0.40 49.69 ? 126 TYR a C 1 ? ? +25938 ATOM C C B TYR U 1 116 ? -5.899 -0.468 11.187 0.60 49.69 ? 126 TYR a C 1 ? ? +25939 ATOM O O A TYR U 1 116 ? -5.359 -1.178 12.044 0.40 49.86 ? 126 TYR a O 1 ? ? +25940 ATOM O O B TYR U 1 116 ? -5.395 -1.176 12.056 0.60 49.87 ? 126 TYR a O 1 ? ? +25941 ATOM C CB A TYR U 1 116 ? -5.637 -0.897 8.715 0.40 48.79 ? 126 TYR a CB 1 ? ? +25942 ATOM C CB B TYR U 1 116 ? -5.638 -0.905 8.721 0.60 48.80 ? 126 TYR a CB 1 ? ? +25943 ATOM C CG A TYR U 1 116 ? -4.329 -1.647 8.766 0.40 48.53 ? 126 TYR a CG 1 ? ? +25944 ATOM C CG B TYR U 1 116 ? -4.344 -1.677 8.757 0.60 48.53 ? 126 TYR a CG 1 ? ? +25945 ATOM C CD1 A TYR U 1 116 ? -3.209 -1.097 9.379 0.40 48.57 ? 126 TYR a CD1 1 ? ? +25946 ATOM C CD1 B TYR U 1 116 ? -3.162 -1.075 9.177 0.60 48.51 ? 126 TYR a CD1 1 ? ? +25947 ATOM C CD2 A TYR U 1 116 ? -4.210 -2.909 8.208 0.40 48.27 ? 126 TYR a CD2 1 ? ? +25948 ATOM C CD2 B TYR U 1 116 ? -4.284 -2.990 8.324 0.60 48.31 ? 126 TYR a CD2 1 ? ? +25949 ATOM C CE1 A TYR U 1 116 ? -1.998 -1.781 9.421 0.40 48.34 ? 126 TYR a CE1 1 ? ? +25950 ATOM C CE1 B TYR U 1 116 ? -1.956 -1.772 9.188 0.60 48.26 ? 126 TYR a CE1 1 ? ? +25951 ATOM C CE2 A TYR U 1 116 ? -3.005 -3.599 8.238 0.40 48.04 ? 126 TYR a CE2 1 ? ? +25952 ATOM C CE2 B TYR U 1 116 ? -3.084 -3.696 8.324 0.60 48.08 ? 126 TYR a CE2 1 ? ? +25953 ATOM C CZ A TYR U 1 116 ? -1.900 -3.035 8.849 0.40 48.08 ? 126 TYR a CZ 1 ? ? +25954 ATOM C CZ B TYR U 1 116 ? -1.920 -3.085 8.758 0.60 48.05 ? 126 TYR a CZ 1 ? ? +25955 ATOM O OH A TYR U 1 116 ? -0.719 -3.744 8.877 0.40 47.88 ? 126 TYR a OH 1 ? ? +25956 ATOM O OH B TYR U 1 116 ? -0.745 -3.811 8.757 0.60 47.84 ? 126 TYR a OH 1 ? ? +25957 ATOM N N . MET U 1 117 ? -5.991 0.865 11.281 1.00 49.79 ? 127 MET a N 1 ? ? +25958 ATOM C CA . MET U 1 117 ? -5.521 1.604 12.448 1.00 50.13 ? 127 MET a CA 1 ? ? +25959 ATOM C CB . MET U 1 117 ? -5.653 3.134 12.225 1.00 50.18 ? 127 MET a CB 1 ? ? +25960 ATOM C CG . MET U 1 117 ? -5.129 3.969 13.406 1.00 50.56 ? 127 MET a CG 1 ? ? +25961 ATOM S SD . MET U 1 117 ? -5.045 5.730 13.053 1.00 50.58 ? 127 MET a SD 1 ? ? +25962 ATOM C CE . MET U 1 117 ? -6.933 6.126 12.995 1.00 50.99 ? 127 MET a CE 1 ? ? +25963 ATOM C C . MET U 1 117 ? -6.289 1.211 13.712 1.00 50.69 ? 127 MET a C 1 ? ? +25964 ATOM O O . MET U 1 117 ? -5.686 1.010 14.764 1.00 50.92 ? 127 MET a O 1 ? ? +25965 ATOM N N . GLY U 1 118 ? -7.627 1.124 13.612 1.00 50.91 ? 128 GLY a N 1 ? ? +25966 ATOM C CA . GLY U 1 118 ? -8.445 0.673 14.728 1.00 51.45 ? 128 GLY a CA 1 ? ? +25967 ATOM C C . GLY U 1 118 ? -8.077 -0.740 15.172 1.00 51.46 ? 128 GLY a C 1 ? ? +25968 ATOM O O . GLY U 1 118 ? -7.985 -1.015 16.363 1.00 51.83 ? 128 GLY a O 1 ? ? +25969 ATOM N N . ARG U 1 119 ? -7.842 -1.615 14.190 1.00 51.03 ? 129 ARG a N 1 ? ? +25970 ATOM C CA . ARG U 1 119 ? -7.422 -2.986 14.429 1.00 51.05 ? 129 ARG a CA 1 ? ? +25971 ATOM C CB . ARG U 1 119 ? -7.347 -3.734 13.082 1.00 50.49 ? 129 ARG a CB 1 ? ? +25972 ATOM C CG . ARG U 1 119 ? -6.884 -5.189 13.150 1.00 50.38 ? 129 ARG a CG 1 ? ? +25973 ATOM C CD . ARG U 1 119 ? -7.282 -5.916 11.890 1.00 50.00 ? 129 ARG a CD 1 ? ? +25974 ATOM N NE . ARG U 1 119 ? -6.630 -7.214 11.751 1.00 49.85 ? 129 ARG a NE 1 ? ? +25975 ATOM C CZ . ARG U 1 119 ? -5.438 -7.419 11.190 1.00 49.38 ? 129 ARG a CZ 1 ? ? +25976 ATOM N NH1 . ARG U 1 119 ? -4.723 -6.423 10.698 1.00 49.06 ? 129 ARG a NH1 1 ? ? +25977 ATOM N NH2 . ARG U 1 119 ? -4.961 -8.655 11.110 1.00 49.27 ? 129 ARG a NH2 1 ? ? +25978 ATOM C C . ARG U 1 119 ? -6.097 -3.124 15.179 1.00 51.14 ? 129 ARG a C 1 ? ? +25979 ATOM O O . ARG U 1 119 ? -5.940 -4.070 15.945 1.00 51.41 ? 129 ARG a O 1 ? ? +25980 ATOM N N A GLN U 1 120 ? -5.164 -2.185 14.950 0.40 50.94 ? 130 GLN a N 1 ? ? +25981 ATOM N N B GLN U 1 120 ? -5.156 -2.200 14.941 0.60 50.93 ? 130 GLN a N 1 ? ? +25982 ATOM C CA A GLN U 1 120 ? -3.893 -2.164 15.657 0.40 51.03 ? 130 GLN a CA 1 ? ? +25983 ATOM C CA B GLN U 1 120 ? -3.894 -2.186 15.667 0.60 51.04 ? 130 GLN a CA 1 ? ? +25984 ATOM C C A GLN U 1 120 ? -4.100 -1.868 17.138 0.40 51.72 ? 130 GLN a C 1 ? ? +25985 ATOM C C B GLN U 1 120 ? -4.098 -1.869 17.144 0.60 51.74 ? 130 GLN a C 1 ? ? +25986 ATOM O O A GLN U 1 120 ? -3.471 -2.491 17.988 0.40 51.96 ? 130 GLN a O 1 ? ? +25987 ATOM O O B GLN U 1 120 ? -3.460 -2.478 17.997 0.60 51.98 ? 130 GLN a O 1 ? ? +25988 ATOM C CB A GLN U 1 120 ? -2.937 -1.122 15.057 0.40 50.68 ? 130 GLN a CB 1 ? ? +25989 ATOM C CB B GLN U 1 120 ? -2.924 -1.173 15.066 0.60 50.69 ? 130 GLN a CB 1 ? ? +25990 ATOM C CG A GLN U 1 120 ? -2.323 -1.558 13.745 0.40 50.06 ? 130 GLN a CG 1 ? ? +25991 ATOM C CG B GLN U 1 120 ? -2.377 -1.607 13.739 0.60 50.08 ? 130 GLN a CG 1 ? ? +25992 ATOM C CD A GLN U 1 120 ? -1.315 -0.569 13.239 0.40 49.79 ? 130 GLN a CD 1 ? ? +25993 ATOM C CD B GLN U 1 120 ? -1.492 -0.557 13.162 0.60 49.81 ? 130 GLN a CD 1 ? ? +25994 ATOM O OE1 A GLN U 1 120 ? -1.414 0.633 13.499 0.40 50.00 ? 130 GLN a OE1 1 ? ? +25995 ATOM O OE1 B GLN U 1 120 ? -1.797 0.629 13.257 0.60 50.01 ? 130 GLN a OE1 1 ? ? +25996 ATOM N NE2 A GLN U 1 120 ? -0.313 -1.053 12.515 0.40 49.36 ? 130 GLN a NE2 1 ? ? +25997 ATOM N NE2 B GLN U 1 120 ? -0.369 -0.955 12.569 0.60 49.42 ? 130 GLN a NE2 1 ? ? +25998 ATOM N N . TRP U 1 121 ? -4.981 -0.906 17.436 1.00 52.11 ? 131 TRP a N 1 ? ? +25999 ATOM C CA . TRP U 1 121 ? -5.389 -0.656 18.807 1.00 52.85 ? 131 TRP a CA 1 ? ? +26000 ATOM C CB . TRP U 1 121 ? -6.361 0.508 18.992 1.00 53.19 ? 131 TRP a CB 1 ? ? +26001 ATOM C CG . TRP U 1 121 ? -7.007 0.347 20.332 1.00 53.93 ? 131 TRP a CG 1 ? ? +26002 ATOM C CD1 . TRP U 1 121 ? -6.461 0.646 21.545 1.00 54.38 ? 131 TRP a CD1 1 ? ? +26003 ATOM N NE1 . TRP U 1 121 ? -7.303 0.255 22.550 1.00 54.98 ? 131 TRP a NE1 1 ? ? +26004 ATOM C CE2 . TRP U 1 121 ? -8.406 -0.349 21.999 1.00 54.96 ? 131 TRP a CE2 1 ? ? +26005 ATOM C CZ2 . TRP U 1 121 ? -9.527 -0.914 22.606 1.00 55.49 ? 131 TRP a CZ2 1 ? ? +26006 ATOM C CH2 . TRP U 1 121 ? -10.465 -1.467 21.789 1.00 55.35 ? 131 TRP a CH2 1 ? ? +26007 ATOM C CZ3 . TRP U 1 121 ? -10.330 -1.458 20.404 1.00 54.71 ? 131 TRP a CZ3 1 ? ? +26008 ATOM C CE3 . TRP U 1 121 ? -9.229 -0.894 19.799 1.00 54.17 ? 131 TRP a CE3 1 ? ? +26009 ATOM C CD2 . TRP U 1 121 ? -8.241 -0.325 20.602 1.00 54.30 ? 131 TRP a CD2 1 ? ? +26010 ATOM C C . TRP U 1 121 ? -6.033 -1.913 19.391 1.00 53.29 ? 131 TRP a C 1 ? ? +26011 ATOM O O . TRP U 1 121 ? -5.718 -2.310 20.508 1.00 53.73 ? 131 TRP a O 1 ? ? +26012 ATOM N N . GLU U 1 122 ? -6.936 -2.541 18.630 1.00 53.26 ? 132 GLU a N 1 ? ? +26013 ATOM C CA . GLU U 1 122 ? -7.764 -3.609 19.166 1.00 53.76 ? 132 GLU a CA 1 ? ? +26014 ATOM C CB . GLU U 1 122 ? -8.821 -4.043 18.140 1.00 53.59 ? 132 GLU a CB 1 ? ? +26015 ATOM C CG . GLU U 1 122 ? -9.886 -4.958 18.711 1.00 54.12 ? 132 GLU a CG 1 ? ? +26016 ATOM C CD . GLU U 1 122 ? -10.927 -5.384 17.691 1.00 53.99 ? 132 GLU a CD 1 ? ? +26017 ATOM O OE1 . GLU U 1 122 ? -11.037 -4.722 16.632 1.00 53.54 ? 132 GLU a OE1 1 ? ? +26018 ATOM O OE2 . GLU U 1 122 ? -11.597 -6.415 17.933 1.00 54.33 ? 132 GLU a OE2 1 ? ? +26019 ATOM C C . GLU U 1 122 ? -6.948 -4.815 19.615 1.00 53.80 ? 132 GLU a C 1 ? ? +26020 ATOM O O . GLU U 1 122 ? -7.150 -5.323 20.712 1.00 54.30 ? 132 GLU a O 1 ? ? +26021 ATOM N N . LEU U 1 123 ? -6.024 -5.268 18.770 1.00 53.37 ? 133 LEU a N 1 ? ? +26022 ATOM C CA . LEU U 1 123 ? -5.196 -6.411 19.126 1.00 53.48 ? 133 LEU a CA 1 ? ? +26023 ATOM C CB . LEU U 1 123 ? -4.331 -6.878 17.952 1.00 52.84 ? 133 LEU a CB 1 ? ? +26024 ATOM C CG . LEU U 1 123 ? -3.472 -8.124 18.223 1.00 52.83 ? 133 LEU a CG 1 ? ? +26025 ATOM C CD1 . LEU U 1 123 ? -4.324 -9.295 18.604 1.00 53.21 ? 133 LEU a CD1 1 ? ? +26026 ATOM C CD2 . LEU U 1 123 ? -2.617 -8.479 17.028 1.00 52.19 ? 133 LEU a CD2 1 ? ? +26027 ATOM C C . LEU U 1 123 ? -4.303 -6.110 20.328 1.00 53.91 ? 133 LEU a C 1 ? ? +26028 ATOM O O . LEU U 1 123 ? -4.069 -6.992 21.152 1.00 54.32 ? 133 LEU a O 1 ? ? +26029 ATOM N N A SER U 1 124 ? -3.824 -4.864 20.430 0.40 53.90 ? 134 SER a N 1 ? ? +26030 ATOM N N B SER U 1 124 ? -3.829 -4.862 20.420 0.60 53.89 ? 134 SER a N 1 ? ? +26031 ATOM C CA A SER U 1 124 ? -2.961 -4.474 21.534 0.40 54.30 ? 134 SER a CA 1 ? ? +26032 ATOM C CA B SER U 1 124 ? -2.967 -4.450 21.516 0.60 54.27 ? 134 SER a CA 1 ? ? +26033 ATOM C C A SER U 1 124 ? -3.707 -4.629 22.856 0.40 55.10 ? 134 SER a C 1 ? ? +26034 ATOM C C B SER U 1 124 ? -3.692 -4.560 22.855 0.60 55.09 ? 134 SER a C 1 ? ? +26035 ATOM O O A SER U 1 124 ? -3.129 -5.039 23.861 0.40 55.47 ? 134 SER a O 1 ? ? +26036 ATOM O O B SER U 1 124 ? -3.077 -4.848 23.880 0.60 55.47 ? 134 SER a O 1 ? ? +26037 ATOM C CB A SER U 1 124 ? -2.445 -3.047 21.357 0.40 54.12 ? 134 SER a CB 1 ? ? +26038 ATOM C CB B SER U 1 124 ? -2.455 -3.029 21.301 0.60 54.08 ? 134 SER a CB 1 ? ? +26039 ATOM O OG A SER U 1 124 ? -3.425 -2.066 21.650 0.40 54.42 ? 134 SER a OG 1 ? ? +26040 ATOM O OG B SER U 1 124 ? -3.387 -2.056 21.741 0.60 54.43 ? 134 SER a OG 1 ? ? +26041 ATOM N N . TYR U 1 125 ? -5.009 -4.325 22.829 1.00 55.39 ? 135 TYR a N 1 ? ? +26042 ATOM C CA . TYR U 1 125 ? -5.849 -4.485 24.001 1.00 56.16 ? 135 TYR a CA 1 ? ? +26043 ATOM C CB . TYR U 1 125 ? -7.190 -3.826 23.762 1.00 56.31 ? 135 TYR a CB 1 ? ? +26044 ATOM C CG . TYR U 1 125 ? -8.038 -3.691 25.001 1.00 57.06 ? 135 TYR a CG 1 ? ? +26045 ATOM C CD1 . TYR U 1 125 ? -7.600 -2.955 26.090 1.00 57.49 ? 135 TYR a CD1 1 ? ? +26046 ATOM C CD2 . TYR U 1 125 ? -9.289 -4.283 25.077 1.00 57.39 ? 135 TYR a CD2 1 ? ? +26047 ATOM C CE1 . TYR U 1 125 ? -8.386 -2.807 27.223 1.00 58.24 ? 135 TYR a CE1 1 ? ? +26048 ATOM C CE2 . TYR U 1 125 ? -10.088 -4.136 26.201 1.00 58.14 ? 135 TYR a CE2 1 ? ? +26049 ATOM C CZ . TYR U 1 125 ? -9.634 -3.402 27.275 1.00 58.57 ? 135 TYR a CZ 1 ? ? +26050 ATOM O OH . TYR U 1 125 ? -10.436 -3.273 28.387 1.00 59.36 ? 135 TYR a OH 1 ? ? +26051 ATOM C C . TYR U 1 125 ? -6.008 -5.962 24.348 1.00 56.55 ? 135 TYR a C 1 ? ? +26052 ATOM O O . TYR U 1 125 ? -5.899 -6.337 25.511 1.00 57.13 ? 135 TYR a O 1 ? ? +26053 ATOM N N . ARG U 1 126 ? -6.217 -6.806 23.331 1.00 56.34 ? 136 ARG a N 1 ? ? +26054 ATOM C CA . ARG U 1 126 ? -6.376 -8.238 23.552 1.00 56.73 ? 136 ARG a CA 1 ? ? +26055 ATOM C CB . ARG U 1 126 ? -6.809 -8.971 22.267 1.00 56.35 ? 136 ARG a CB 1 ? ? +26056 ATOM C CG . ARG U 1 126 ? -7.929 -8.331 21.463 1.00 56.26 ? 136 ARG a CG 1 ? ? +26057 ATOM C CD . ARG U 1 126 ? -9.220 -8.177 22.223 1.00 56.98 ? 136 ARG a CD 1 ? ? +26058 ATOM N NE . ARG U 1 126 ? -10.278 -7.709 21.332 1.00 56.95 ? 136 ARG a NE 1 ? ? +26059 ATOM C CZ . ARG U 1 126 ? -11.281 -6.903 21.683 1.00 57.57 ? 136 ARG a CZ 1 ? ? +26060 ATOM N NH1 . ARG U 1 126 ? -11.424 -6.469 22.925 1.00 58.22 ? 136 ARG a NH1 1 ? ? +26061 ATOM N NH2 . ARG U 1 126 ? -12.185 -6.553 20.768 1.00 57.51 ? 136 ARG a NH2 1 ? ? +26062 ATOM C C . ARG U 1 126 ? -5.110 -8.932 24.061 1.00 56.84 ? 136 ARG a C 1 ? ? +26063 ATOM O O . ARG U 1 126 ? -5.206 -9.920 24.778 1.00 57.30 ? 136 ARG a O 1 ? ? +26064 ATOM N N A LEU U 1 127 ? -3.933 -8.406 23.695 0.40 56.46 ? 137 LEU a N 1 ? ? +26065 ATOM N N B LEU U 1 127 ? -3.936 -8.426 23.659 0.60 56.45 ? 137 LEU a N 1 ? ? +26066 ATOM C CA A LEU U 1 127 ? -2.667 -9.007 24.086 0.40 56.50 ? 137 LEU a CA 1 ? ? +26067 ATOM C CA B LEU U 1 127 ? -2.658 -9.020 24.025 0.60 56.49 ? 137 LEU a CA 1 ? ? +26068 ATOM C C A LEU U 1 127 ? -2.054 -8.428 25.361 0.40 57.01 ? 137 LEU a C 1 ? ? +26069 ATOM C C B LEU U 1 127 ? -2.005 -8.405 25.262 0.60 56.98 ? 137 LEU a C 1 ? ? +26070 ATOM O O A LEU U 1 127 ? -1.014 -8.904 25.809 0.40 57.22 ? 137 LEU a O 1 ? ? +26071 ATOM O O B LEU U 1 127 ? -0.864 -8.739 25.577 0.60 57.14 ? 137 LEU a O 1 ? ? +26072 ATOM C CB A LEU U 1 127 ? -1.642 -8.852 22.951 0.40 55.82 ? 137 LEU a CB 1 ? ? +26073 ATOM C CB B LEU U 1 127 ? -1.646 -8.888 22.852 0.60 55.79 ? 137 LEU a CB 1 ? ? +26074 ATOM C CG A LEU U 1 127 ? -1.984 -9.549 21.640 0.40 55.29 ? 137 LEU a CG 1 ? ? +26075 ATOM C CG B LEU U 1 127 ? -1.965 -9.627 21.547 0.60 55.26 ? 137 LEU a CG 1 ? ? +26076 ATOM C CD1 A LEU U 1 127 ? -0.795 -9.552 20.716 0.40 54.69 ? 137 LEU a CD1 1 ? ? +26077 ATOM C CD1 B LEU U 1 127 ? -0.818 -9.515 20.579 0.60 54.64 ? 137 LEU a CD1 1 ? ? +26078 ATOM C CD2 A LEU U 1 127 ? -2.475 -10.970 21.867 0.40 55.57 ? 137 LEU a CD2 1 ? ? +26079 ATOM C CD2 B LEU U 1 127 ? -2.281 -11.096 21.785 0.60 55.51 ? 137 LEU a CD2 1 ? ? +26080 ATOM N N A GLY U 1 128 ? -2.681 -7.399 25.938 0.40 57.30 ? 138 GLY a N 1 ? ? +26081 ATOM N N B GLY U 1 128 ? -2.705 -7.490 25.943 0.60 57.32 ? 138 GLY a N 1 ? ? +26082 ATOM C CA A GLY U 1 128 ? -2.178 -6.792 27.161 0.40 57.77 ? 138 GLY a CA 1 ? ? +26083 ATOM C CA B GLY U 1 128 ? -2.175 -6.857 27.141 0.60 57.76 ? 138 GLY a CA 1 ? ? +26084 ATOM C C A GLY U 1 128 ? -1.008 -5.846 26.903 0.40 57.39 ? 138 GLY a C 1 ? ? +26085 ATOM C C B GLY U 1 128 ? -0.999 -5.918 26.872 0.60 57.37 ? 138 GLY a C 1 ? ? +26086 ATOM O O A GLY U 1 128 ? -0.127 -5.684 27.747 0.40 57.73 ? 138 GLY a O 1 ? ? +26087 ATOM O O B GLY U 1 128 ? -0.104 -5.789 27.706 0.60 57.70 ? 138 GLY a O 1 ? ? +26088 ATOM N N A MET U 1 129 ? -1.033 -5.222 25.722 0.40 56.71 ? 139 MET a N 1 ? ? +26089 ATOM N N B MET U 1 129 ? -1.039 -5.258 25.707 0.60 56.66 ? 139 MET a N 1 ? ? +26090 ATOM C CA A MET U 1 129 ? 0.001 -4.301 25.287 0.40 56.29 ? 139 MET a CA 1 ? ? +26091 ATOM C CA B MET U 1 129 ? -0.005 -4.338 25.266 0.60 56.23 ? 139 MET a CA 1 ? ? +26092 ATOM C C A MET U 1 129 ? -0.397 -2.865 25.603 0.40 56.46 ? 139 MET a C 1 ? ? +26093 ATOM C C B MET U 1 129 ? -0.394 -2.896 25.571 0.60 56.39 ? 139 MET a C 1 ? ? +26094 ATOM O O A MET U 1 129 ? -1.557 -2.595 25.912 0.40 56.84 ? 139 MET a O 1 ? ? +26095 ATOM O O B MET U 1 129 ? -1.552 -2.619 25.881 0.60 56.81 ? 139 MET a O 1 ? ? +26096 ATOM C CB A MET U 1 129 ? 0.187 -4.410 23.776 0.40 55.51 ? 139 MET a CB 1 ? ? +26097 ATOM C CB B MET U 1 129 ? 0.183 -4.452 23.752 0.60 55.44 ? 139 MET a CB 1 ? ? +26098 ATOM C CG A MET U 1 129 ? 1.084 -5.517 23.342 0.40 55.21 ? 139 MET a CG 1 ? ? +26099 ATOM C CG B MET U 1 129 ? 1.003 -5.610 23.320 0.60 55.13 ? 139 MET a CG 1 ? ? +26100 ATOM S SD A MET U 1 129 ? 0.956 -5.773 21.570 0.40 54.36 ? 139 MET a SD 1 ? ? +26101 ATOM S SD B MET U 1 129 ? 0.910 -5.818 21.544 0.60 54.29 ? 139 MET a SD 1 ? ? +26102 ATOM C CE A MET U 1 129 ? 1.590 -4.250 20.974 0.40 54.02 ? 139 MET a CE 1 ? ? +26103 ATOM C CE B MET U 1 129 ? 1.593 -4.329 21.002 0.60 53.95 ? 139 MET a CE 1 ? ? +26104 ATOM N N A ARG U 1 130 ? 0.571 -1.951 25.481 0.40 56.22 ? 140 ARG a N 1 ? ? +26105 ATOM N N B ARG U 1 130 ? 0.576 -1.984 25.436 0.60 56.13 ? 140 ARG a N 1 ? ? +26106 ATOM C CA A ARG U 1 130 ? 0.288 -0.527 25.513 0.40 56.23 ? 140 ARG a CA 1 ? ? +26107 ATOM C CA B ARG U 1 130 ? 0.298 -0.559 25.476 0.60 56.14 ? 140 ARG a CA 1 ? ? +26108 ATOM C C A ARG U 1 130 ? -0.285 -0.146 24.148 0.40 55.62 ? 140 ARG a C 1 ? ? +26109 ATOM C C B ARG U 1 130 ? -0.268 -0.149 24.115 0.60 55.50 ? 140 ARG a C 1 ? ? +26110 ATOM O O A ARG U 1 130 ? -0.018 -0.814 23.150 0.40 55.09 ? 140 ARG a O 1 ? ? +26111 ATOM O O B ARG U 1 130 ? 0.006 -0.790 23.101 0.60 54.97 ? 140 ARG a O 1 ? ? +26112 ATOM C CB A ARG U 1 130 ? 1.543 0.262 25.912 0.40 56.30 ? 140 ARG a CB 1 ? ? +26113 ATOM C CB B ARG U 1 130 ? 1.548 0.228 25.897 0.60 56.23 ? 140 ARG a CB 1 ? ? +26114 ATOM C CG A ARG U 1 130 ? 1.735 0.326 27.432 0.40 57.03 ? 140 ARG a CG 1 ? ? +26115 ATOM C CG B ARG U 1 130 ? 1.749 0.266 27.418 0.60 56.97 ? 140 ARG a CG 1 ? ? +26116 ATOM C CD A ARG U 1 130 ? 3.191 0.339 27.850 0.40 57.11 ? 140 ARG a CD 1 ? ? +26117 ATOM C CD B ARG U 1 130 ? 3.217 0.316 27.829 0.60 57.08 ? 140 ARG a CD 1 ? ? +26118 ATOM N NE A ARG U 1 130 ? 3.945 1.429 27.240 0.40 56.79 ? 140 ARG a NE 1 ? ? +26119 ATOM N NE B ARG U 1 130 ? 3.961 1.398 27.190 0.60 56.76 ? 140 ARG a NE 1 ? ? +26120 ATOM C CZ A ARG U 1 130 ? 3.906 2.692 27.640 0.40 57.05 ? 140 ARG a CZ 1 ? ? +26121 ATOM C CZ B ARG U 1 130 ? 4.003 2.657 27.610 0.60 57.07 ? 140 ARG a CZ 1 ? ? +26122 ATOM N NH1 A ARG U 1 130 ? 3.211 3.061 28.702 0.40 57.67 ? 140 ARG a NH1 1 ? ? +26123 ATOM N NH1 B ARG U 1 130 ? 3.401 3.040 28.722 0.60 57.72 ? 140 ARG a NH1 1 ? ? +26124 ATOM N NH2 A ARG U 1 130 ? 4.593 3.607 26.964 0.40 56.75 ? 140 ARG a NH2 1 ? ? +26125 ATOM N NH2 B ARG U 1 130 ? 4.682 3.553 26.900 0.60 56.77 ? 140 ARG a NH2 1 ? ? +26126 ATOM N N A PRO U 1 131 ? -1.139 0.901 24.068 0.40 55.69 ? 141 PRO a N 1 ? ? +26127 ATOM N N B PRO U 1 131 ? -1.117 0.904 24.051 0.60 55.56 ? 141 PRO a N 1 ? ? +26128 ATOM C CA A PRO U 1 131 ? -2.056 1.058 22.938 0.40 55.27 ? 141 PRO a CA 1 ? ? +26129 ATOM C CA B PRO U 1 131 ? -2.054 1.070 22.940 0.60 55.13 ? 141 PRO a CA 1 ? ? +26130 ATOM C C A PRO U 1 131 ? -1.594 1.832 21.705 0.40 54.65 ? 141 PRO a C 1 ? ? +26131 ATOM C C B PRO U 1 131 ? -1.632 1.883 21.720 0.60 54.52 ? 141 PRO a C 1 ? ? +26132 ATOM O O A PRO U 1 131 ? -2.279 1.824 20.681 0.40 54.32 ? 141 PRO a O 1 ? ? +26133 ATOM O O B PRO U 1 131 ? -2.385 1.951 20.747 0.60 54.24 ? 141 PRO a O 1 ? ? +26134 ATOM C CB A PRO U 1 131 ? -3.218 1.812 23.583 0.40 55.79 ? 141 PRO a CB 1 ? ? +26135 ATOM C CB B PRO U 1 131 ? -3.207 1.793 23.628 0.60 55.68 ? 141 PRO a CB 1 ? ? +26136 ATOM C CG A PRO U 1 131 ? -2.562 2.662 24.676 0.40 56.26 ? 141 PRO a CG 1 ? ? +26137 ATOM C CG B PRO U 1 131 ? -2.525 2.674 24.662 0.60 56.12 ? 141 PRO a CG 1 ? ? +26138 ATOM C CD A PRO U 1 131 ? -1.318 1.932 25.106 0.40 56.27 ? 141 PRO a CD 1 ? ? +26139 ATOM C CD B PRO U 1 131 ? -1.270 1.950 25.077 0.60 56.13 ? 141 PRO a CD 1 ? ? +26140 ATOM N N A TRP U 1 132 ? -0.435 2.490 21.793 0.40 54.51 ? 142 TRP a N 1 ? ? +26141 ATOM N N B TRP U 1 132 ? -0.440 2.490 21.762 0.60 54.33 ? 142 TRP a N 1 ? ? +26142 ATOM C CA A TRP U 1 132 ? -0.170 3.623 20.921 0.40 54.11 ? 142 TRP a CA 1 ? ? +26143 ATOM C CA B TRP U 1 132 ? -0.164 3.637 20.912 0.60 53.93 ? 142 TRP a CA 1 ? ? +26144 ATOM C C A TRP U 1 132 ? 0.545 3.355 19.599 0.40 53.37 ? 142 TRP a C 1 ? ? +26145 ATOM C C B TRP U 1 132 ? 0.578 3.371 19.603 0.60 53.18 ? 142 TRP a C 1 ? ? +26146 ATOM O O A TRP U 1 132 ? 0.932 4.300 18.920 0.40 53.17 ? 142 TRP a O 1 ? ? +26147 ATOM O O B TRP U 1 132 ? 0.994 4.318 18.946 0.60 52.99 ? 142 TRP a O 1 ? ? +26148 ATOM C CB A TRP U 1 132 ? 0.601 4.686 21.702 0.40 54.49 ? 142 TRP a CB 1 ? ? +26149 ATOM C CB B TRP U 1 132 ? 0.585 4.711 21.725 0.60 54.32 ? 142 TRP a CB 1 ? ? +26150 ATOM C CG A TRP U 1 132 ? -0.174 5.250 22.849 0.40 55.16 ? 142 TRP a CG 1 ? ? +26151 ATOM C CG B TRP U 1 132 ? -0.196 5.272 22.879 0.60 55.00 ? 142 TRP a CG 1 ? ? +26152 ATOM C CD1 A TRP U 1 132 ? -1.438 5.763 22.815 0.40 55.35 ? 142 TRP a CD1 1 ? ? +26153 ATOM C CD1 B TRP U 1 132 ? -1.452 5.811 22.842 0.60 55.20 ? 142 TRP a CD1 1 ? ? +26154 ATOM C CD2 A TRP U 1 132 ? 0.270 5.367 24.202 0.40 55.76 ? 142 TRP a CD2 1 ? ? +26155 ATOM C CD2 B TRP U 1 132 ? 0.241 5.366 24.237 0.60 55.60 ? 142 TRP a CD2 1 ? ? +26156 ATOM N NE1 A TRP U 1 132 ? -1.808 6.192 24.067 0.40 56.01 ? 142 TRP a NE1 1 ? ? +26157 ATOM N NE1 B TRP U 1 132 ? -1.824 6.225 24.098 0.60 55.86 ? 142 TRP a NE1 1 ? ? +26158 ATOM C CE2 A TRP U 1 132 ? -0.776 5.960 24.938 0.40 56.28 ? 142 TRP a CE2 1 ? ? +26159 ATOM C CE2 B TRP U 1 132 ? -0.803 5.965 24.973 0.60 56.13 ? 142 TRP a CE2 1 ? ? +26160 ATOM C CE3 A TRP U 1 132 ? 1.457 5.032 24.866 0.40 55.96 ? 142 TRP a CE3 1 ? ? +26161 ATOM C CE3 B TRP U 1 132 ? 1.418 5.002 24.907 0.60 55.81 ? 142 TRP a CE3 1 ? ? +26162 ATOM C CZ2 A TRP U 1 132 ? -0.671 6.218 26.301 0.40 56.95 ? 142 TRP a CZ2 1 ? ? +26163 ATOM C CZ2 B TRP U 1 132 ? -0.704 6.202 26.342 0.60 56.81 ? 142 TRP a CZ2 1 ? ? +26164 ATOM C CZ3 A TRP U 1 132 ? 1.558 5.289 26.218 0.40 56.61 ? 142 TRP a CZ3 1 ? ? +26165 ATOM C CZ3 B TRP U 1 132 ? 1.516 5.241 26.264 0.60 56.47 ? 142 TRP a CZ3 1 ? ? +26166 ATOM C CH2 A TRP U 1 132 ? 0.506 5.876 26.920 0.40 57.12 ? 142 TRP a CH2 1 ? ? +26167 ATOM C CH2 B TRP U 1 132 ? 0.467 5.835 26.968 0.60 56.98 ? 142 TRP a CH2 1 ? ? +26168 ATOM N N A ILE U 1 133 ? 0.688 2.088 19.198 0.40 53.02 ? 143 ILE a N 1 ? ? +26169 ATOM N N B ILE U 1 133 ? 0.707 2.106 19.187 0.60 52.81 ? 143 ILE a N 1 ? ? +26170 ATOM C CA A ILE U 1 133 ? 1.234 1.796 17.880 0.40 52.34 ? 143 ILE a CA 1 ? ? +26171 ATOM C CA B ILE U 1 133 ? 1.240 1.817 17.862 0.60 52.13 ? 143 ILE a CA 1 ? ? +26172 ATOM C C A ILE U 1 133 ? 0.352 2.401 16.787 0.40 51.97 ? 143 ILE a C 1 ? ? +26173 ATOM C C B ILE U 1 133 ? 0.359 2.427 16.769 0.60 51.78 ? 143 ILE a C 1 ? ? +26174 ATOM O O A ILE U 1 133 ? 0.852 2.884 15.769 0.40 51.55 ? 143 ILE a O 1 ? ? +26175 ATOM O O B ILE U 1 133 ? 0.870 2.903 15.755 0.60 51.33 ? 143 ILE a O 1 ? ? +26176 ATOM C CB A ILE U 1 133 ? 1.447 0.277 17.672 0.40 52.14 ? 143 ILE a CB 1 ? ? +26177 ATOM C CB B ILE U 1 133 ? 1.457 0.294 17.634 0.60 51.92 ? 143 ILE a CB 1 ? ? +26178 ATOM C CG1 A ILE U 1 133 ? 2.690 -0.213 18.430 0.40 52.34 ? 143 ILE a CG1 1 ? ? +26179 ATOM C CG1 B ILE U 1 133 ? 2.704 -0.203 18.377 0.60 52.10 ? 143 ILE a CG1 1 ? ? +26180 ATOM C CG2 A ILE U 1 133 ? 1.548 -0.076 16.190 0.40 51.50 ? 143 ILE a CG2 1 ? ? +26181 ATOM C CG2 B ILE U 1 133 ? 1.564 -0.055 16.148 0.60 51.28 ? 143 ILE a CG2 1 ? ? +26182 ATOM C CD1 A ILE U 1 133 ? 2.908 -1.705 18.365 0.40 52.22 ? 143 ILE a CD1 1 ? ? +26183 ATOM C CD1 B ILE U 1 133 ? 2.895 -1.709 18.348 0.60 52.00 ? 143 ILE a CD1 1 ? ? +26184 ATOM N N A CYS U 1 134 ? -0.966 2.392 17.020 0.40 52.17 ? 144 CYS a N 1 ? ? +26185 ATOM N N B CYS U 1 134 ? -0.964 2.410 16.982 0.60 51.97 ? 144 CYS a N 1 ? ? +26186 ATOM C CA A CYS U 1 134 ? -1.923 2.936 16.071 0.40 51.90 ? 144 CYS a CA 1 ? ? +26187 ATOM C CA B CYS U 1 134 ? -1.908 2.967 16.023 0.60 51.71 ? 144 CYS a CA 1 ? ? +26188 ATOM C C A CYS U 1 134 ? -1.721 4.437 15.875 0.40 51.88 ? 144 CYS a C 1 ? ? +26189 ATOM C C B CYS U 1 134 ? -1.693 4.466 15.821 0.60 51.68 ? 144 CYS a C 1 ? ? +26190 ATOM O O A CYS U 1 134 ? -2.028 4.973 14.814 0.40 51.55 ? 144 CYS a O 1 ? ? +26191 ATOM O O B CYS U 1 134 ? -1.905 4.981 14.724 0.60 51.31 ? 144 CYS a O 1 ? ? +26192 ATOM C CB A CYS U 1 134 ? -3.348 2.630 16.520 0.40 52.28 ? 144 CYS a CB 1 ? ? +26193 ATOM C CB B CYS U 1 134 ? -3.338 2.669 16.454 0.60 52.08 ? 144 CYS a CB 1 ? ? +26194 ATOM S SG A CYS U 1 134 ? -3.873 3.572 17.969 0.40 53.07 ? 144 CYS a SG 1 ? ? +26195 ATOM S SG B CYS U 1 134 ? -3.823 3.480 17.989 0.60 52.90 ? 144 CYS a SG 1 ? ? +26196 ATOM N N A VAL U 1 135 ? -1.223 5.112 16.916 0.40 52.24 ? 145 VAL a N 1 ? ? +26197 ATOM N N B VAL U 1 135 ? -1.268 5.152 16.891 0.60 52.07 ? 145 VAL a N 1 ? ? +26198 ATOM C CA A VAL U 1 135 ? -0.959 6.539 16.847 0.40 52.31 ? 145 VAL a CA 1 ? ? +26199 ATOM C CA B VAL U 1 135 ? -0.950 6.570 16.837 0.60 52.16 ? 145 VAL a CA 1 ? ? +26200 ATOM C C A VAL U 1 135 ? 0.196 6.836 15.893 0.40 51.80 ? 145 VAL a C 1 ? ? +26201 ATOM C C B VAL U 1 135 ? 0.195 6.857 15.866 0.60 51.65 ? 145 VAL a C 1 ? ? +26202 ATOM O O A VAL U 1 135 ? 0.214 7.885 15.253 0.40 51.69 ? 145 VAL a O 1 ? ? +26203 ATOM O O B VAL U 1 135 ? 0.203 7.900 15.216 0.60 51.54 ? 145 VAL a O 1 ? ? +26204 ATOM C CB A VAL U 1 135 ? -0.685 7.115 18.252 0.40 52.93 ? 145 VAL a CB 1 ? ? +26205 ATOM C CB B VAL U 1 135 ? -0.617 7.127 18.245 0.60 52.76 ? 145 VAL a CB 1 ? ? +26206 ATOM C CG1 A VAL U 1 135 ? -0.215 8.566 18.178 0.40 53.04 ? 145 VAL a CG1 1 ? ? +26207 ATOM C CG1 B VAL U 1 135 ? -0.166 8.584 18.179 0.60 52.88 ? 145 VAL a CG1 1 ? ? +26208 ATOM C CG2 A VAL U 1 135 ? -1.913 6.978 19.147 0.40 53.43 ? 145 VAL a CG2 1 ? ? +26209 ATOM C CG2 B VAL U 1 135 ? -1.795 6.969 19.203 0.60 53.28 ? 145 VAL a CG2 1 ? ? +26210 ATOM N N A ALA U 1 136 ? 1.153 5.908 15.797 0.40 51.52 ? 146 ALA a N 1 ? ? +26211 ATOM N N B ALA U 1 136 ? 1.165 5.939 15.779 0.60 51.38 ? 146 ALA a N 1 ? ? +26212 ATOM C CA A ALA U 1 136 ? 2.262 6.064 14.869 0.40 51.06 ? 146 ALA a CA 1 ? ? +26213 ATOM C CA B ALA U 1 136 ? 2.268 6.096 14.843 0.60 50.95 ? 146 ALA a CA 1 ? ? +26214 ATOM C C A ALA U 1 136 ? 1.777 5.880 13.434 0.40 50.49 ? 146 ALA a C 1 ? ? +26215 ATOM C C B ALA U 1 136 ? 1.789 5.880 13.411 0.60 50.39 ? 146 ALA a C 1 ? ? +26216 ATOM O O A ALA U 1 136 ? 2.213 6.585 12.529 0.40 50.20 ? 146 ALA a O 1 ? ? +26217 ATOM O O B ALA U 1 136 ? 2.201 6.590 12.501 0.60 50.09 ? 146 ALA a O 1 ? ? +26218 ATOM C CB A ALA U 1 136 ? 3.376 5.075 15.189 0.40 51.01 ? 146 ALA a CB 1 ? ? +26219 ATOM C CB B ALA U 1 136 ? 3.411 5.139 15.177 0.60 50.90 ? 146 ALA a CB 1 ? ? +26220 ATOM N N A TYR U 1 137 ? 0.853 4.935 13.242 0.40 50.36 ? 147 TYR a N 1 ? ? +26221 ATOM N N B TYR U 1 137 ? 0.897 4.904 13.222 0.60 50.27 ? 147 TYR a N 1 ? ? +26222 ATOM C CA A TYR U 1 137 ? 0.297 4.660 11.927 0.40 49.88 ? 147 TYR a CA 1 ? ? +26223 ATOM C CA B TYR U 1 137 ? 0.302 4.649 11.919 0.60 49.81 ? 147 TYR a CA 1 ? ? +26224 ATOM C C A TYR U 1 137 ? -0.618 5.784 11.441 0.40 49.93 ? 147 TYR a C 1 ? ? +26225 ATOM C C B TYR U 1 137 ? -0.659 5.748 11.452 0.60 49.90 ? 147 TYR a C 1 ? ? +26226 ATOM O O A TYR U 1 137 ? -0.869 5.904 10.242 0.40 49.58 ? 147 TYR a O 1 ? ? +26227 ATOM O O B TYR U 1 137 ? -0.981 5.824 10.269 0.60 49.56 ? 147 TYR a O 1 ? ? +26228 ATOM C CB A TYR U 1 137 ? -0.455 3.328 11.957 0.40 49.83 ? 147 TYR a CB 1 ? ? +26229 ATOM C CB B TYR U 1 137 ? -0.416 3.299 11.954 0.60 49.75 ? 147 TYR a CB 1 ? ? +26230 ATOM C CG A TYR U 1 137 ? -1.158 2.973 10.664 0.40 49.42 ? 147 TYR a CG 1 ? ? +26231 ATOM C CG B TYR U 1 137 ? -1.113 2.931 10.661 0.60 49.33 ? 147 TYR a CG 1 ? ? +26232 ATOM C CD1 A TYR U 1 137 ? -0.439 2.625 9.532 0.40 48.89 ? 147 TYR a CD1 1 ? ? +26233 ATOM C CD1 B TYR U 1 137 ? -0.388 2.610 9.524 0.60 48.80 ? 147 TYR a CD1 1 ? ? +26234 ATOM C CD2 A TYR U 1 137 ? -2.545 2.965 10.582 0.40 49.57 ? 147 TYR a CD2 1 ? ? +26235 ATOM C CD2 B TYR U 1 137 ? -2.504 2.901 10.579 0.60 49.48 ? 147 TYR a CD2 1 ? ? +26236 ATOM C CE1 A TYR U 1 137 ? -1.081 2.290 8.345 0.40 48.56 ? 147 TYR a CE1 1 ? ? +26237 ATOM C CE1 B TYR U 1 137 ? -1.024 2.272 8.335 0.60 48.47 ? 147 TYR a CE1 1 ? ? +26238 ATOM C CE2 A TYR U 1 137 ? -3.198 2.635 9.401 0.40 49.23 ? 147 TYR a CE2 1 ? ? +26239 ATOM C CE2 B TYR U 1 137 ? -3.151 2.560 9.397 0.60 49.13 ? 147 TYR a CE2 1 ? ? +26240 ATOM C CZ A TYR U 1 137 ? -2.464 2.298 8.284 0.40 48.73 ? 147 TYR a CZ 1 ? ? +26241 ATOM C CZ B TYR U 1 137 ? -2.409 2.251 8.275 0.60 48.63 ? 147 TYR a CZ 1 ? ? +26242 ATOM O OH A TYR U 1 137 ? -3.110 1.965 7.118 0.40 48.44 ? 147 TYR a OH 1 ? ? +26243 ATOM O OH B TYR U 1 137 ? -3.039 1.905 7.107 0.60 48.33 ? 147 TYR a OH 1 ? ? +26244 ATOM N N . SER U 1 138 ? -1.107 6.611 12.374 1.00 50.39 ? 148 SER a N 1 ? ? +26245 ATOM C CA . SER U 1 138 ? -1.951 7.741 12.015 1.00 50.50 ? 148 SER a CA 1 ? ? +26246 ATOM C CB . SER U 1 138 ? -2.474 8.465 13.250 1.00 51.12 ? 148 SER a CB 1 ? ? +26247 ATOM O OG . SER U 1 138 ? -1.504 9.281 13.881 1.00 51.38 ? 148 SER a OG 1 ? ? +26248 ATOM C C . SER U 1 138 ? -1.250 8.742 11.104 1.00 50.24 ? 148 SER a C 1 ? ? +26249 ATOM O O . SER U 1 138 ? -1.914 9.469 10.364 1.00 50.19 ? 148 SER a O 1 ? ? +26250 ATOM N N A ALA U 1 139 ? 0.091 8.758 11.155 0.40 50.09 ? 149 ALA a N 1 ? ? +26251 ATOM N N B ALA U 1 139 ? 0.088 8.781 11.183 0.60 50.12 ? 149 ALA a N 1 ? ? +26252 ATOM C CA A ALA U 1 139 ? 0.884 9.669 10.346 0.40 49.88 ? 149 ALA a CA 1 ? ? +26253 ATOM C CA B ALA U 1 139 ? 0.881 9.692 10.374 0.60 49.90 ? 149 ALA a CA 1 ? ? +26254 ATOM C C A ALA U 1 139 ? 0.781 9.322 8.864 0.40 49.33 ? 149 ALA a C 1 ? ? +26255 ATOM C C B ALA U 1 139 ? 0.803 9.354 8.887 0.60 49.36 ? 149 ALA a C 1 ? ? +26256 ATOM O O A ALA U 1 139 ? 0.392 10.166 8.062 0.40 49.27 ? 149 ALA a O 1 ? ? +26257 ATOM O O B ALA U 1 139 ? 0.500 10.233 8.081 0.60 49.27 ? 149 ALA a O 1 ? ? +26258 ATOM C CB A ALA U 1 139 ? 2.340 9.664 10.801 0.40 49.90 ? 149 ALA a CB 1 ? ? +26259 ATOM C CB B ALA U 1 139 ? 2.331 9.712 10.858 0.60 49.95 ? 149 ALA a CB 1 ? ? +26260 ATOM N N A PRO U 1 140 ? 1.135 8.088 8.441 0.40 48.97 ? 150 PRO a N 1 ? ? +26261 ATOM N N B PRO U 1 140 ? 1.105 8.104 8.454 0.60 48.99 ? 150 PRO a N 1 ? ? +26262 ATOM C CA A PRO U 1 140 ? 0.910 7.677 7.055 0.40 48.52 ? 150 PRO a CA 1 ? ? +26263 ATOM C CA B PRO U 1 140 ? 0.905 7.726 7.056 0.60 48.54 ? 150 PRO a CA 1 ? ? +26264 ATOM C C A PRO U 1 140 ? -0.564 7.699 6.648 0.40 48.59 ? 150 PRO a C 1 ? ? +26265 ATOM C C B PRO U 1 140 ? -0.570 7.702 6.646 0.60 48.61 ? 150 PRO a C 1 ? ? +26266 ATOM O O A PRO U 1 140 ? -0.891 8.069 5.522 0.40 48.37 ? 150 PRO a O 1 ? ? +26267 ATOM O O B PRO U 1 140 ? -0.904 8.051 5.516 0.60 48.41 ? 150 PRO a O 1 ? ? +26268 ATOM C CB A PRO U 1 140 ? 1.514 6.268 6.991 0.40 48.21 ? 150 PRO a CB 1 ? ? +26269 ATOM C CB B PRO U 1 140 ? 1.598 6.352 6.951 0.60 48.22 ? 150 PRO a CB 1 ? ? +26270 ATOM C CG A PRO U 1 140 ? 1.701 5.830 8.402 0.40 48.58 ? 150 PRO a CG 1 ? ? +26271 ATOM C CG B PRO U 1 140 ? 1.697 5.846 8.325 0.60 48.56 ? 150 PRO a CG 1 ? ? +26272 ATOM C CD A PRO U 1 140 ? 1.822 7.061 9.240 0.40 49.01 ? 150 PRO a CD 1 ? ? +26273 ATOM C CD B PRO U 1 140 ? 1.751 7.036 9.236 0.60 49.02 ? 150 PRO a CD 1 ? ? +26274 ATOM N N . LEU U 1 141 ? -1.452 7.306 7.566 1.00 48.94 ? 151 LEU a N 1 ? ? +26275 ATOM C CA . LEU U 1 141 ? -2.873 7.301 7.279 1.00 49.09 ? 151 LEU a CA 1 ? ? +26276 ATOM C CB . LEU U 1 141 ? -3.652 6.663 8.425 1.00 49.48 ? 151 LEU a CB 1 ? ? +26277 ATOM C CG . LEU U 1 141 ? -5.169 6.596 8.203 1.00 49.65 ? 151 LEU a CG 1 ? ? +26278 ATOM C CD1 . LEU U 1 141 ? -5.518 5.751 7.002 1.00 49.22 ? 151 LEU a CD1 1 ? ? +26279 ATOM C CD2 . LEU U 1 141 ? -5.842 6.069 9.407 1.00 50.10 ? 151 LEU a CD2 1 ? ? +26280 ATOM C C . LEU U 1 141 ? -3.385 8.715 6.992 1.00 49.35 ? 151 LEU a C 1 ? ? +26281 ATOM O O . LEU U 1 141 ? -4.125 8.926 6.028 1.00 49.27 ? 151 LEU a O 1 ? ? +26282 ATOM N N A ALA U 1 142 ? -2.992 9.676 7.837 0.40 49.69 ? 152 ALA a N 1 ? ? +26283 ATOM N N B ALA U 1 142 ? -2.958 9.685 7.815 0.60 49.67 ? 152 ALA a N 1 ? ? +26284 ATOM C CA A ALA U 1 142 ? -3.380 11.064 7.644 0.40 49.92 ? 152 ALA a CA 1 ? ? +26285 ATOM C CA B ALA U 1 142 ? -3.365 11.071 7.646 0.60 49.91 ? 152 ALA a CA 1 ? ? +26286 ATOM C C A ALA U 1 142 ? -2.900 11.579 6.291 0.40 49.54 ? 152 ALA a C 1 ? ? +26287 ATOM C C B ALA U 1 142 ? -2.903 11.603 6.297 0.60 49.52 ? 152 ALA a C 1 ? ? +26288 ATOM O O A ALA U 1 142 ? -3.572 12.385 5.654 0.40 49.61 ? 152 ALA a O 1 ? ? +26289 ATOM O O B ALA U 1 142 ? -3.553 12.453 5.698 0.60 49.62 ? 152 ALA a O 1 ? ? +26290 ATOM C CB A ALA U 1 142 ? -2.831 11.931 8.762 0.40 50.34 ? 152 ALA a CB 1 ? ? +26291 ATOM C CB B ALA U 1 142 ? -2.804 11.933 8.761 0.60 50.32 ? 152 ALA a CB 1 ? ? +26292 ATOM N N A SER U 1 143 ? -1.733 11.095 5.860 0.40 49.15 ? 153 SER a N 1 ? ? +26293 ATOM N N B SER U 1 143 ? -1.758 11.090 5.845 0.60 49.14 ? 153 SER a N 1 ? ? +26294 ATOM C CA A SER U 1 143 ? -1.149 11.519 4.600 0.40 48.80 ? 153 SER a CA 1 ? ? +26295 ATOM C CA B SER U 1 143 ? -1.146 11.511 4.600 0.60 48.78 ? 153 SER a CA 1 ? ? +26296 ATOM C C A SER U 1 143 ? -1.972 11.009 3.422 0.40 48.51 ? 153 SER a C 1 ? ? +26297 ATOM C C B SER U 1 143 ? -1.936 10.975 3.411 0.60 48.44 ? 153 SER a C 1 ? ? +26298 ATOM O O A SER U 1 143 ? -2.161 11.725 2.445 0.40 48.40 ? 153 SER a O 1 ? ? +26299 ATOM O O B SER U 1 143 ? -2.082 11.664 2.408 0.60 48.30 ? 153 SER a O 1 ? ? +26300 ATOM C CB A SER U 1 143 ? 0.306 11.056 4.490 0.40 48.49 ? 153 SER a CB 1 ? ? +26301 ATOM C CB B SER U 1 143 ? 0.316 11.050 4.558 0.60 48.51 ? 153 SER a CB 1 ? ? +26302 ATOM O OG A SER U 1 143 ? 1.091 11.575 5.551 0.40 48.76 ? 153 SER a OG 1 ? ? +26303 ATOM O OG B SER U 1 143 ? 1.025 11.514 5.694 0.60 48.78 ? 153 SER a OG 1 ? ? +26304 ATOM N N A ALA U 1 144 ? -2.445 9.765 3.518 0.40 48.43 ? 154 ALA a N 1 ? ? +26305 ATOM N N B ALA U 1 144 ? -2.423 9.738 3.531 0.60 48.34 ? 154 ALA a N 1 ? ? +26306 ATOM C CA A ALA U 1 144 ? -3.312 9.203 2.495 0.40 48.27 ? 154 ALA a CA 1 ? ? +26307 ATOM C CA B ALA U 1 144 ? -3.303 9.156 2.530 0.60 48.19 ? 154 ALA a CA 1 ? ? +26308 ATOM C C A ALA U 1 144 ? -4.632 9.971 2.388 0.40 48.65 ? 154 ALA a C 1 ? ? +26309 ATOM C C B ALA U 1 144 ? -4.611 9.945 2.415 0.60 48.54 ? 154 ALA a C 1 ? ? +26310 ATOM O O A ALA U 1 144 ? -5.112 10.235 1.289 0.40 48.53 ? 154 ALA a O 1 ? ? +26311 ATOM O O B ALA U 1 144 ? -5.049 10.274 1.317 0.60 48.42 ? 154 ALA a O 1 ? ? +26312 ATOM C CB A ALA U 1 144 ? -3.572 7.732 2.778 0.40 48.15 ? 154 ALA a CB 1 ? ? +26313 ATOM C CB B ALA U 1 144 ? -3.583 7.694 2.860 0.60 48.10 ? 154 ALA a CB 1 ? ? +26314 ATOM N N A PHE U 1 145 ? -5.215 10.341 3.531 0.40 49.18 ? 155 PHE a N 1 ? ? +26315 ATOM N N B PHE U 1 145 ? -5.216 10.276 3.559 0.60 49.05 ? 155 PHE a N 1 ? ? +26316 ATOM C CA A PHE U 1 145 ? -6.414 11.164 3.531 0.40 49.65 ? 155 PHE a CA 1 ? ? +26317 ATOM C CA B PHE U 1 145 ? -6.393 11.133 3.578 0.60 49.51 ? 155 PHE a CA 1 ? ? +26318 ATOM C C A PHE U 1 145 ? -6.161 12.497 2.830 0.40 49.69 ? 155 PHE a C 1 ? ? +26319 ATOM C C B PHE U 1 145 ? -6.170 12.474 2.880 0.60 49.55 ? 155 PHE a C 1 ? ? +26320 ATOM O O A PHE U 1 145 ? -7.004 12.988 2.076 0.40 49.82 ? 155 PHE a O 1 ? ? +26321 ATOM O O B PHE U 1 145 ? -7.058 12.978 2.188 0.60 49.71 ? 155 PHE a O 1 ? ? +26322 ATOM C CB A PHE U 1 145 ? -6.930 11.402 4.966 0.40 50.19 ? 155 PHE a CB 1 ? ? +26323 ATOM C CB B PHE U 1 145 ? -6.876 11.359 5.030 0.60 50.05 ? 155 PHE a CB 1 ? ? +26324 ATOM C CG A PHE U 1 145 ? -7.933 10.377 5.442 0.40 50.38 ? 155 PHE a CG 1 ? ? +26325 ATOM C CG B PHE U 1 145 ? -7.876 10.324 5.479 0.60 50.23 ? 155 PHE a CG 1 ? ? +26326 ATOM C CD1 A PHE U 1 145 ? -9.275 10.509 5.148 0.40 50.64 ? 155 PHE a CD1 1 ? ? +26327 ATOM C CD1 B PHE U 1 145 ? -9.210 10.441 5.149 0.60 50.48 ? 155 PHE a CD1 1 ? ? +26328 ATOM C CD2 A PHE U 1 145 ? -7.529 9.270 6.158 0.40 50.33 ? 155 PHE a CD2 1 ? ? +26329 ATOM C CD2 B PHE U 1 145 ? -7.474 9.210 6.190 0.60 50.18 ? 155 PHE a CD2 1 ? ? +26330 ATOM C CE1 A PHE U 1 145 ? -10.195 9.565 5.588 0.40 50.86 ? 155 PHE a CE1 1 ? ? +26331 ATOM C CE1 B PHE U 1 145 ? -10.129 9.483 5.558 0.60 50.68 ? 155 PHE a CE1 1 ? ? +26332 ATOM C CE2 A PHE U 1 145 ? -8.452 8.325 6.590 0.40 50.53 ? 155 PHE a CE2 1 ? ? +26333 ATOM C CE2 B PHE U 1 145 ? -8.398 8.248 6.587 0.60 50.36 ? 155 PHE a CE2 1 ? ? +26334 ATOM C CZ A PHE U 1 145 ? -9.777 8.477 6.303 0.40 50.78 ? 155 PHE a CZ 1 ? ? +26335 ATOM C CZ B PHE U 1 145 ? -9.718 8.391 6.268 0.60 50.61 ? 155 PHE a CZ 1 ? ? +26336 ATOM N N A ALA U 1 146 ? -4.979 13.067 3.072 0.40 49.63 ? 156 ALA a N 1 ? ? +26337 ATOM N N B ALA U 1 146 ? -4.972 13.037 3.051 0.60 49.44 ? 156 ALA a N 1 ? ? +26338 ATOM C CA A ALA U 1 146 ? -4.657 14.386 2.560 0.40 49.72 ? 156 ALA a CA 1 ? ? +26339 ATOM C CA B ALA U 1 146 ? -4.696 14.376 2.564 0.60 49.53 ? 156 ALA a CA 1 ? ? +26340 ATOM C C A ALA U 1 146 ? -4.752 14.443 1.039 0.40 49.37 ? 156 ALA a C 1 ? ? +26341 ATOM C C B ALA U 1 146 ? -4.760 14.456 1.043 0.60 49.14 ? 156 ALA a C 1 ? ? +26342 ATOM O O A ALA U 1 146 ? -5.304 15.393 0.489 0.40 49.59 ? 156 ALA a O 1 ? ? +26343 ATOM O O B ALA U 1 146 ? -5.266 15.433 0.494 0.60 49.37 ? 156 ALA a O 1 ? ? +26344 ATOM C CB A ALA U 1 146 ? -3.270 14.802 3.012 0.40 49.72 ? 156 ALA a CB 1 ? ? +26345 ATOM C CB B ALA U 1 146 ? -3.337 14.836 3.051 0.60 49.54 ? 156 ALA a CB 1 ? ? +26346 ATOM N N A VAL U 1 147 ? -4.216 13.418 0.371 0.40 48.85 ? 157 VAL a N 1 ? ? +26347 ATOM N N B VAL U 1 147 ? -4.232 13.425 0.380 0.60 48.61 ? 157 VAL a N 1 ? ? +26348 ATOM C CA A VAL U 1 147 ? -4.050 13.457 -1.072 0.40 48.49 ? 157 VAL a CA 1 ? ? +26349 ATOM C CA B VAL U 1 147 ? -4.035 13.458 -1.059 0.60 48.23 ? 157 VAL a CA 1 ? ? +26350 ATOM C C A VAL U 1 147 ? -5.210 12.810 -1.823 0.40 48.38 ? 157 VAL a C 1 ? ? +26351 ATOM C C B VAL U 1 147 ? -5.198 12.815 -1.806 0.60 48.10 ? 157 VAL a C 1 ? ? +26352 ATOM O O A VAL U 1 147 ? -5.387 13.064 -3.010 0.40 48.21 ? 157 VAL a O 1 ? ? +26353 ATOM O O B VAL U 1 147 ? -5.402 13.115 -2.978 0.60 47.94 ? 157 VAL a O 1 ? ? +26354 ATOM C CB A VAL U 1 147 ? -2.707 12.809 -1.495 0.40 48.02 ? 157 VAL a CB 1 ? ? +26355 ATOM C CB B VAL U 1 147 ? -2.677 12.811 -1.468 0.60 47.76 ? 157 VAL a CB 1 ? ? +26356 ATOM C CG1 A VAL U 1 147 ? -1.530 13.574 -0.914 0.40 48.14 ? 157 VAL a CG1 1 ? ? +26357 ATOM C CG1 B VAL U 1 147 ? -1.521 13.553 -0.829 0.60 47.89 ? 157 VAL a CG1 1 ? ? +26358 ATOM C CG2 A VAL U 1 147 ? -2.650 11.336 -1.109 0.40 47.78 ? 157 VAL a CG2 1 ? ? +26359 ATOM C CG2 B VAL U 1 147 ? -2.613 11.324 -1.134 0.60 47.52 ? 157 VAL a CG2 1 ? ? +26360 ATOM N N A PHE U 1 148 ? -5.987 11.969 -1.132 0.40 48.51 ? 158 PHE a N 1 ? ? +26361 ATOM N N B PHE U 1 148 ? -5.939 11.927 -1.133 0.60 48.19 ? 158 PHE a N 1 ? ? +26362 ATOM C CA A PHE U 1 148 ? -7.102 11.290 -1.765 0.40 48.50 ? 158 PHE a CA 1 ? ? +26363 ATOM C CA B PHE U 1 148 ? -7.061 11.252 -1.760 0.60 48.18 ? 158 PHE a CA 1 ? ? +26364 ATOM C C A PHE U 1 148 ? -8.455 11.927 -1.452 0.40 48.99 ? 158 PHE a C 1 ? ? +26365 ATOM C C B PHE U 1 148 ? -8.425 11.883 -1.475 0.60 48.65 ? 158 PHE a C 1 ? ? +26366 ATOM O O A PHE U 1 148 ? -9.398 11.751 -2.215 0.40 49.00 ? 158 PHE a O 1 ? ? +26367 ATOM O O B PHE U 1 148 ? -9.343 11.693 -2.265 0.60 48.65 ? 158 PHE a O 1 ? ? +26368 ATOM C CB A PHE U 1 148 ? -7.137 9.807 -1.373 0.40 48.33 ? 158 PHE a CB 1 ? ? +26369 ATOM C CB B PHE U 1 148 ? -7.099 9.775 -1.347 0.60 48.01 ? 158 PHE a CB 1 ? ? +26370 ATOM C CG A PHE U 1 148 ? -5.984 8.994 -1.907 0.40 47.85 ? 158 PHE a CG 1 ? ? +26371 ATOM C CG B PHE U 1 148 ? -5.981 8.936 -1.905 0.60 47.53 ? 158 PHE a CG 1 ? ? +26372 ATOM C CD1 A PHE U 1 148 ? -5.512 9.189 -3.194 0.40 47.53 ? 158 PHE a CD1 1 ? ? +26373 ATOM C CD1 B PHE U 1 148 ? -5.545 9.106 -3.210 0.60 47.20 ? 158 PHE a CD1 1 ? ? +26374 ATOM C CD2 A PHE U 1 148 ? -5.392 8.014 -1.134 0.40 47.74 ? 158 PHE a CD2 1 ? ? +26375 ATOM C CD2 B PHE U 1 148 ? -5.386 7.950 -1.140 0.60 47.42 ? 158 PHE a CD2 1 ? ? +26376 ATOM C CE1 A PHE U 1 148 ? -4.444 8.445 -3.681 0.40 47.11 ? 158 PHE a CE1 1 ? ? +26377 ATOM C CE1 B PHE U 1 148 ? -4.506 8.335 -3.720 0.60 46.78 ? 158 PHE a CE1 1 ? ? +26378 ATOM C CE2 A PHE U 1 148 ? -4.333 7.264 -1.628 0.40 47.31 ? 158 PHE a CE2 1 ? ? +26379 ATOM C CE2 B PHE U 1 148 ? -4.357 7.175 -1.656 0.60 46.99 ? 158 PHE a CE2 1 ? ? +26380 ATOM C CZ A PHE U 1 148 ? -3.865 7.486 -2.898 0.40 47.00 ? 158 PHE a CZ 1 ? ? +26381 ATOM C CZ B PHE U 1 148 ? -3.926 7.371 -2.945 0.60 46.67 ? 158 PHE a CZ 1 ? ? +26382 ATOM N N A LEU U 1 149 ? -8.546 12.660 -0.334 0.40 49.42 ? 159 LEU a N 1 ? ? +26383 ATOM N N B LEU U 1 149 ? -8.546 12.621 -0.360 0.60 49.09 ? 159 LEU a N 1 ? ? +26384 ATOM C CA A LEU U 1 149 ? -9.820 13.209 0.107 0.40 49.93 ? 159 LEU a CA 1 ? ? +26385 ATOM C CA B LEU U 1 149 ? -9.825 13.160 0.082 0.60 49.61 ? 159 LEU a CA 1 ? ? +26386 ATOM C C A LEU U 1 149 ? -9.775 14.709 0.397 0.40 50.30 ? 159 LEU a C 1 ? ? +26387 ATOM C C B LEU U 1 149 ? -9.811 14.657 0.390 0.60 49.99 ? 159 LEU a C 1 ? ? +26388 ATOM O O A LEU U 1 149 ? -10.518 15.482 -0.208 0.40 50.56 ? 159 LEU a O 1 ? ? +26389 ATOM O O B LEU U 1 149 ? -10.638 15.398 -0.140 0.60 50.29 ? 159 LEU a O 1 ? ? +26390 ATOM C CB A LEU U 1 149 ? -10.299 12.462 1.358 0.40 50.19 ? 159 LEU a CB 1 ? ? +26391 ATOM C CB B LEU U 1 149 ? -10.294 12.405 1.329 0.60 49.87 ? 159 LEU a CB 1 ? ? +26392 ATOM C CG A LEU U 1 149 ? -11.718 12.811 1.833 0.40 50.77 ? 159 LEU a CG 1 ? ? +26393 ATOM C CG B LEU U 1 149 ? -11.733 12.714 1.807 0.60 50.43 ? 159 LEU a CG 1 ? ? +26394 ATOM C CD1 A LEU U 1 149 ? -12.729 12.472 0.783 0.40 50.76 ? 159 LEU a CD1 1 ? ? +26395 ATOM C CD1 B LEU U 1 149 ? -12.748 12.295 0.790 0.60 50.43 ? 159 LEU a CD1 1 ? ? +26396 ATOM C CD2 A LEU U 1 149 ? -12.065 12.090 3.128 0.40 51.03 ? 159 LEU a CD2 1 ? ? +26397 ATOM C CD2 B LEU U 1 149 ? -12.048 12.028 3.134 0.60 50.70 ? 159 LEU a CD2 1 ? ? +26398 ATOM N N A ILE U 1 150 ? -8.904 15.121 1.322 0.40 50.36 ? 160 ILE a N 1 ? ? +26399 ATOM N N B ILE U 1 150 ? -8.882 15.097 1.249 0.60 50.05 ? 160 ILE a N 1 ? ? +26400 ATOM C CA A ILE U 1 150 ? -8.917 16.495 1.800 0.40 50.76 ? 160 ILE a CA 1 ? ? +26401 ATOM C CA B ILE U 1 150 ? -8.885 16.469 1.738 0.60 50.46 ? 160 ILE a CA 1 ? ? +26402 ATOM C C A ILE U 1 150 ? -8.585 17.482 0.684 0.40 50.63 ? 160 ILE a C 1 ? ? +26403 ATOM C C B ILE U 1 150 ? -8.503 17.447 0.632 0.60 50.29 ? 160 ILE a C 1 ? ? +26404 ATOM O O A ILE U 1 150 ? -9.247 18.507 0.548 0.40 51.01 ? 160 ILE a O 1 ? ? +26405 ATOM O O B ILE U 1 150 ? -9.115 18.502 0.488 0.60 50.65 ? 160 ILE a O 1 ? ? +26406 ATOM C CB A ILE U 1 150 ? -7.980 16.696 3.011 0.40 50.91 ? 160 ILE a CB 1 ? ? +26407 ATOM C CB B ILE U 1 150 ? -7.963 16.676 2.970 0.60 50.65 ? 160 ILE a CB 1 ? ? +26408 ATOM C CG1 A ILE U 1 150 ? -8.265 15.680 4.130 0.40 51.03 ? 160 ILE a CG1 1 ? ? +26409 ATOM C CG1 B ILE U 1 150 ? -8.212 15.642 4.085 0.60 50.80 ? 160 ILE a CG1 1 ? ? +26410 ATOM C CG2 A ILE U 1 150 ? -8.074 18.128 3.531 0.40 51.41 ? 160 ILE a CG2 1 ? ? +26411 ATOM C CG2 B ILE U 1 150 ? -8.095 18.103 3.514 0.60 51.16 ? 160 ILE a CG2 1 ? ? +26412 ATOM C CD1 A ILE U 1 150 ? -9.676 15.669 4.604 0.40 51.49 ? 160 ILE a CD1 1 ? ? +26413 ATOM C CD1 B ILE U 1 150 ? -9.591 15.555 4.541 0.60 51.27 ? 160 ILE a CD1 1 ? ? +26414 ATOM N N A TYR U 1 151 ? -7.566 17.164 -0.122 0.40 50.11 ? 161 TYR a N 1 ? ? +26415 ATOM N N B TYR U 1 151 ? -7.482 17.098 -0.150 0.60 49.74 ? 161 TYR a N 1 ? ? +26416 ATOM C CA A TYR U 1 151 ? -7.146 18.061 -1.186 0.40 49.98 ? 161 TYR a CA 1 ? ? +26417 ATOM C CA B TYR U 1 151 ? -7.036 18.003 -1.193 0.60 49.59 ? 161 TYR a CA 1 ? ? +26418 ATOM C C A TYR U 1 151 ? -8.251 18.191 -2.237 0.40 50.05 ? 161 TYR a C 1 ? ? +26419 ATOM C C B TYR U 1 151 ? -8.159 18.166 -2.222 0.60 49.65 ? 161 TYR a C 1 ? ? +26420 ATOM O O A TYR U 1 151 ? -8.587 19.295 -2.650 0.40 50.34 ? 161 TYR a O 1 ? ? +26421 ATOM O O B TYR U 1 151 ? -8.498 19.283 -2.584 0.60 49.95 ? 161 TYR a O 1 ? ? +26422 ATOM C CB A TYR U 1 151 ? -5.802 17.622 -1.818 0.40 49.43 ? 161 TYR a CB 1 ? ? +26423 ATOM C CB B TYR U 1 151 ? -5.675 17.574 -1.803 0.60 49.05 ? 161 TYR a CB 1 ? ? +26424 ATOM C CG A TYR U 1 151 ? -5.261 18.690 -2.735 0.40 49.39 ? 161 TYR a CG 1 ? ? +26425 ATOM C CG B TYR U 1 151 ? -5.157 18.650 -2.712 0.60 49.01 ? 161 TYR a CG 1 ? ? +26426 ATOM C CD1 A TYR U 1 151 ? -4.855 19.916 -2.237 0.40 49.72 ? 161 TYR a CD1 1 ? ? +26427 ATOM C CD1 B TYR U 1 151 ? -4.811 19.893 -2.215 0.60 49.37 ? 161 TYR a CD1 1 ? ? +26428 ATOM C CD2 A TYR U 1 151 ? -5.221 18.501 -4.105 0.40 49.08 ? 161 TYR a CD2 1 ? ? +26429 ATOM C CD2 B TYR U 1 151 ? -5.091 18.458 -4.080 0.60 48.71 ? 161 TYR a CD2 1 ? ? +26430 ATOM C CE1 A TYR U 1 151 ? -4.396 20.918 -3.075 0.40 49.77 ? 161 TYR a CE1 1 ? ? +26431 ATOM C CE1 B TYR U 1 151 ? -4.388 20.910 -3.049 0.60 49.44 ? 161 TYR a CE1 1 ? ? +26432 ATOM C CE2 A TYR U 1 151 ? -4.764 19.497 -4.956 0.40 49.13 ? 161 TYR a CE2 1 ? ? +26433 ATOM C CE2 B TYR U 1 151 ? -4.663 19.468 -4.927 0.60 48.76 ? 161 TYR a CE2 1 ? ? +26434 ATOM C CZ A TYR U 1 151 ? -4.350 20.704 -4.434 0.40 49.48 ? 161 TYR a CZ 1 ? ? +26435 ATOM C CZ B TYR U 1 151 ? -4.312 20.694 -4.404 0.60 49.13 ? 161 TYR a CZ 1 ? ? +26436 ATOM O OH A TYR U 1 151 ? -3.902 21.707 -5.247 0.40 49.60 ? 161 TYR a OH 1 ? ? +26437 ATOM O OH B TYR U 1 151 ? -3.897 21.711 -5.209 0.60 49.28 ? 161 TYR a OH 1 ? ? +26438 ATOM N N A PRO U 1 152 ? -8.852 17.082 -2.719 0.40 49.84 ? 162 PRO a N 1 ? ? +26439 ATOM N N B PRO U 1 152 ? -8.775 17.078 -2.735 0.60 49.41 ? 162 PRO a N 1 ? ? +26440 ATOM C CA A PRO U 1 152 ? -10.072 17.164 -3.525 0.40 50.04 ? 162 PRO a CA 1 ? ? +26441 ATOM C CA B PRO U 1 152 ? -9.992 17.182 -3.544 0.60 49.60 ? 162 PRO a CA 1 ? ? +26442 ATOM C C A PRO U 1 152 ? -11.175 18.052 -2.953 0.40 50.65 ? 162 PRO a C 1 ? ? +26443 ATOM C C B PRO U 1 152 ? -11.120 18.047 -2.991 0.60 50.17 ? 162 PRO a C 1 ? ? +26444 ATOM O O A PRO U 1 152 ? -11.786 18.822 -3.688 0.40 50.88 ? 162 PRO a O 1 ? ? +26445 ATOM O O B PRO U 1 152 ? -11.716 18.816 -3.735 0.60 50.39 ? 162 PRO a O 1 ? ? +26446 ATOM C CB A PRO U 1 152 ? -10.528 15.707 -3.594 0.40 49.79 ? 162 PRO a CB 1 ? ? +26447 ATOM C CB B PRO U 1 152 ? -10.459 15.732 -3.633 0.60 49.35 ? 162 PRO a CB 1 ? ? +26448 ATOM C CG A PRO U 1 152 ? -9.253 14.924 -3.525 0.40 49.31 ? 162 PRO a CG 1 ? ? +26449 ATOM C CG B PRO U 1 152 ? -9.188 14.954 -3.626 0.60 48.86 ? 162 PRO a CG 1 ? ? +26450 ATOM C CD A PRO U 1 152 ? -8.366 15.699 -2.572 0.40 49.45 ? 162 PRO a CD 1 ? ? +26451 ATOM C CD B PRO U 1 152 ? -8.295 15.689 -2.644 0.60 49.00 ? 162 PRO a CD 1 ? ? +26452 ATOM N N A ILE U 1 153 ? -11.432 17.947 -1.646 0.40 50.97 ? 163 ILE a N 1 ? ? +26453 ATOM N N B ILE U 1 153 ? -11.416 17.904 -1.697 0.60 50.47 ? 163 ILE a N 1 ? ? +26454 ATOM C CA A ILE U 1 153 ? -12.504 18.714 -1.026 0.40 51.61 ? 163 ILE a CA 1 ? ? +26455 ATOM C CA B ILE U 1 153 ? -12.489 18.667 -1.075 0.60 51.07 ? 163 ILE a CA 1 ? ? +26456 ATOM C C A ILE U 1 153 ? -12.235 20.213 -1.111 0.40 51.93 ? 163 ILE a C 1 ? ? +26457 ATOM C C B ILE U 1 153 ? -12.235 20.169 -1.168 0.60 51.38 ? 163 ILE a C 1 ? ? +26458 ATOM O O A ILE U 1 153 ? -13.129 20.996 -1.434 0.40 52.33 ? 163 ILE a O 1 ? ? +26459 ATOM O O B ILE U 1 153 ? -13.148 20.941 -1.461 0.60 51.80 ? 163 ILE a O 1 ? ? +26460 ATOM C CB A ILE U 1 153 ? -12.736 18.280 0.435 0.40 51.87 ? 163 ILE a CB 1 ? ? +26461 ATOM C CB B ILE U 1 153 ? -12.709 18.229 0.388 0.60 51.33 ? 163 ILE a CB 1 ? ? +26462 ATOM C CG1 A ILE U 1 153 ? -13.364 16.880 0.494 0.40 51.73 ? 163 ILE a CG1 1 ? ? +26463 ATOM C CG1 B ILE U 1 153 ? -13.452 16.892 0.428 0.60 51.23 ? 163 ILE a CG1 1 ? ? +26464 ATOM C CG2 A ILE U 1 153 ? -13.593 19.303 1.180 0.40 52.54 ? 163 ILE a CG2 1 ? ? +26465 ATOM C CG2 B ILE U 1 153 ? -13.459 19.304 1.192 0.60 51.99 ? 163 ILE a CG2 1 ? ? +26466 ATOM C CD1 A ILE U 1 153 ? -13.553 16.354 1.877 0.40 51.98 ? 163 ILE a CD1 1 ? ? +26467 ATOM C CD1 B ILE U 1 153 ? -13.656 16.341 1.801 0.60 51.48 ? 163 ILE a CD1 1 ? ? +26468 ATOM N N A GLY U 1 154 ? -10.991 20.597 -0.808 0.40 51.77 ? 164 GLY a N 1 ? ? +26469 ATOM N N B GLY U 1 154 ? -10.988 20.566 -0.897 0.60 51.18 ? 164 GLY a N 1 ? ? +26470 ATOM C CA A GLY U 1 154 ? -10.581 21.990 -0.834 0.40 52.06 ? 164 GLY a CA 1 ? ? +26471 ATOM C CA B GLY U 1 154 ? -10.608 21.965 -0.904 0.60 51.46 ? 164 GLY a CA 1 ? ? +26472 ATOM C C A GLY U 1 154 ? -10.630 22.589 -2.235 0.40 52.00 ? 164 GLY a C 1 ? ? +26473 ATOM C C B GLY U 1 154 ? -10.632 22.573 -2.301 0.60 51.37 ? 164 GLY a C 1 ? ? +26474 ATOM O O A GLY U 1 154 ? -11.026 23.737 -2.406 0.40 52.42 ? 164 GLY a O 1 ? ? +26475 ATOM O O B GLY U 1 154 ? -11.025 23.722 -2.467 0.60 51.81 ? 164 GLY a O 1 ? ? +26476 ATOM N N A GLN U 1 155 ? -10.239 21.789 -3.231 0.40 51.52 ? 165 GLN a N 1 ? ? +26477 ATOM N N B GLN U 1 155 ? -10.221 21.784 -3.295 0.60 50.87 ? 165 GLN a N 1 ? ? +26478 ATOM C CA A GLN U 1 155 ? -10.168 22.243 -4.609 0.40 51.45 ? 165 GLN a CA 1 ? ? +26479 ATOM C CA B GLN U 1 155 ? -10.113 22.257 -4.664 0.60 50.78 ? 165 GLN a CA 1 ? ? +26480 ATOM C C A GLN U 1 155 ? -11.453 21.957 -5.382 0.40 51.66 ? 165 GLN a C 1 ? ? +26481 ATOM C C B GLN U 1 155 ? -11.386 22.007 -5.466 0.60 50.97 ? 165 GLN a C 1 ? ? +26482 ATOM O O A GLN U 1 155 ? -11.617 22.422 -6.508 0.40 51.70 ? 165 GLN a O 1 ? ? +26483 ATOM O O B GLN U 1 155 ? -11.514 22.505 -6.581 0.60 51.00 ? 165 GLN a O 1 ? ? +26484 ATOM C CB A GLN U 1 155 ? -8.983 21.572 -5.303 0.40 50.85 ? 165 GLN a CB 1 ? ? +26485 ATOM C CB B GLN U 1 155 ? -8.925 21.582 -5.347 0.60 50.18 ? 165 GLN a CB 1 ? ? +26486 ATOM C CG A GLN U 1 155 ? -7.663 21.816 -4.576 0.40 50.73 ? 165 GLN a CG 1 ? ? +26487 ATOM C CG B GLN U 1 155 ? -7.606 21.836 -4.618 0.60 50.07 ? 165 GLN a CG 1 ? ? +26488 ATOM C CD A GLN U 1 155 ? -7.332 23.280 -4.538 0.40 51.10 ? 165 GLN a CD 1 ? ? +26489 ATOM C CD B GLN U 1 155 ? -7.320 23.308 -4.529 0.60 50.46 ? 165 GLN a CD 1 ? ? +26490 ATOM O OE1 A GLN U 1 155 ? -7.170 23.916 -5.581 0.40 51.14 ? 165 GLN a OE1 1 ? ? +26491 ATOM O OE1 B GLN U 1 155 ? -7.193 23.983 -5.548 0.60 50.53 ? 165 GLN a OE1 1 ? ? +26492 ATOM N NE2 A GLN U 1 155 ? -7.238 23.849 -3.347 0.40 51.42 ? 165 GLN a NE2 1 ? ? +26493 ATOM N NE2 B GLN U 1 155 ? -7.236 23.847 -3.327 0.60 50.80 ? 165 GLN a NE2 1 ? ? +26494 ATOM N N A GLY U 1 156 ? -12.346 21.172 -4.774 0.40 51.87 ? 166 GLY a N 1 ? ? +26495 ATOM N N B GLY U 1 156 ? -12.300 21.211 -4.898 0.60 51.13 ? 166 GLY a N 1 ? ? +26496 ATOM C CA A GLY U 1 156 ? -13.693 20.989 -5.289 0.40 52.21 ? 166 GLY a CA 1 ? ? +26497 ATOM C CA B GLY U 1 156 ? -13.647 21.064 -5.423 0.60 51.45 ? 166 GLY a CA 1 ? ? +26498 ATOM C C A GLY U 1 156 ? -13.848 19.910 -6.358 0.40 51.89 ? 166 GLY a C 1 ? ? +26499 ATOM C C B GLY U 1 156 ? -13.838 19.923 -6.418 0.60 51.11 ? 166 GLY a C 1 ? ? +26500 ATOM O O A GLY U 1 156 ? -14.832 19.911 -7.090 0.40 52.11 ? 166 GLY a O 1 ? ? +26501 ATOM O O B GLY U 1 156 ? -14.874 19.852 -7.068 0.60 51.33 ? 166 GLY a O 1 ? ? +26502 ATOM N N A SER U 1 157 ? -12.883 18.987 -6.444 0.40 51.49 ? 167 SER a N 1 ? ? +26503 ATOM N N B SER U 1 157 ? -12.845 19.033 -6.536 0.60 50.64 ? 167 SER a N 1 ? ? +26504 ATOM C CA A SER U 1 157 ? -12.962 17.905 -7.414 0.40 51.17 ? 167 SER a CA 1 ? ? +26505 ATOM C CA B SER U 1 157 ? -12.932 17.935 -7.488 0.60 50.29 ? 167 SER a CA 1 ? ? +26506 ATOM C C A SER U 1 157 ? -11.980 16.773 -7.138 0.40 50.79 ? 167 SER a C 1 ? ? +26507 ATOM C C B SER U 1 157 ? -11.956 16.807 -7.183 0.60 49.87 ? 167 SER a C 1 ? ? +26508 ATOM O O A SER U 1 157 ? -10.796 17.013 -6.905 0.40 50.58 ? 167 SER a O 1 ? ? +26509 ATOM O O B SER U 1 157 ? -10.785 17.056 -6.900 0.60 49.67 ? 167 SER a O 1 ? ? +26510 ATOM C CB A SER U 1 157 ? -12.720 18.420 -8.830 0.40 51.03 ? 167 SER a CB 1 ? ? +26511 ATOM C CB B SER U 1 157 ? -12.687 18.429 -8.909 0.60 50.13 ? 167 SER a CB 1 ? ? +26512 ATOM O OG A SER U 1 157 ? -12.868 17.379 -9.783 0.40 50.63 ? 167 SER a OG 1 ? ? +26513 ATOM O OG B SER U 1 157 ? -12.834 17.372 -9.843 0.60 49.74 ? 167 SER a OG 1 ? ? +26514 ATOM N N A PHE U 1 158 ? -12.490 15.538 -7.203 0.40 50.79 ? 168 PHE a N 1 ? ? +26515 ATOM N N B PHE U 1 158 ? -12.456 15.568 -7.280 0.60 49.80 ? 168 PHE a N 1 ? ? +26516 ATOM C CA A PHE U 1 158 ? -11.657 14.353 -7.088 0.40 50.41 ? 168 PHE a CA 1 ? ? +26517 ATOM C CA B PHE U 1 158 ? -11.624 14.382 -7.142 0.60 49.39 ? 168 PHE a CA 1 ? ? +26518 ATOM C C A PHE U 1 158 ? -10.686 14.225 -8.260 0.40 50.13 ? 168 PHE a C 1 ? ? +26519 ATOM C C B PHE U 1 158 ? -10.648 14.221 -8.306 0.60 49.05 ? 168 PHE a C 1 ? ? +26520 ATOM O O A PHE U 1 158 ? -9.766 13.417 -8.216 0.40 49.76 ? 168 PHE a O 1 ? ? +26521 ATOM O O B PHE U 1 158 ? -9.729 13.420 -8.225 0.60 48.68 ? 168 PHE a O 1 ? ? +26522 ATOM C CB A PHE U 1 158 ? -12.538 13.101 -6.971 0.40 50.35 ? 168 PHE a CB 1 ? ? +26523 ATOM C CB B PHE U 1 158 ? -12.500 13.119 -7.003 0.60 49.33 ? 168 PHE a CB 1 ? ? +26524 ATOM C CG A PHE U 1 158 ? -13.218 12.989 -5.631 0.40 50.69 ? 168 PHE a CG 1 ? ? +26525 ATOM C CG B PHE U 1 158 ? -13.190 12.987 -5.664 0.60 49.68 ? 168 PHE a CG 1 ? ? +26526 ATOM C CD1 A PHE U 1 158 ? -12.481 12.795 -4.479 0.40 50.59 ? 168 PHE a CD1 1 ? ? +26527 ATOM C CD1 B PHE U 1 158 ? -12.459 12.767 -4.508 0.60 49.58 ? 168 PHE a CD1 1 ? ? +26528 ATOM C CD2 A PHE U 1 158 ? -14.593 13.103 -5.522 0.40 51.13 ? 168 PHE a CD2 1 ? ? +26529 ATOM C CD2 B PHE U 1 158 ? -14.570 13.091 -5.562 0.60 50.12 ? 168 PHE a CD2 1 ? ? +26530 ATOM C CE1 A PHE U 1 158 ? -13.103 12.704 -3.251 0.40 50.97 ? 168 PHE a CE1 1 ? ? +26531 ATOM C CE1 B PHE U 1 158 ? -13.091 12.656 -3.284 0.60 49.96 ? 168 PHE a CE1 1 ? ? +26532 ATOM C CE2 A PHE U 1 158 ? -15.212 13.012 -4.291 0.40 51.49 ? 168 PHE a CE2 1 ? ? +26533 ATOM C CE2 B PHE U 1 158 ? -15.199 12.982 -4.336 0.60 50.48 ? 168 PHE a CE2 1 ? ? +26534 ATOM C CZ A PHE U 1 158 ? -14.468 12.813 -3.162 0.40 51.43 ? 168 PHE a CZ 1 ? ? +26535 ATOM C CZ B PHE U 1 158 ? -14.463 12.765 -3.205 0.60 50.42 ? 168 PHE a CZ 1 ? ? +26536 ATOM N N A SER U 1 159 ? -10.895 15.030 -9.306 0.40 50.47 ? 169 SER a N 1 ? ? +26537 ATOM N N B SER U 1 159 ? -10.851 14.987 -9.382 0.60 49.30 ? 169 SER a N 1 ? ? +26538 ATOM C CA A SER U 1 159 ? -10.020 15.034 -10.465 0.40 50.30 ? 169 SER a CA 1 ? ? +26539 ATOM C CA B SER U 1 159 ? -9.937 15.020 -10.508 0.60 49.09 ? 169 SER a CA 1 ? ? +26540 ATOM C C A SER U 1 159 ? -8.655 15.637 -10.143 0.40 50.46 ? 169 SER a C 1 ? ? +26541 ATOM C C B SER U 1 159 ? -8.575 15.609 -10.146 0.60 49.19 ? 169 SER a C 1 ? ? +26542 ATOM O O A SER U 1 159 ? -7.716 15.501 -10.927 0.40 50.13 ? 169 SER a O 1 ? ? +26543 ATOM O O B SER U 1 159 ? -7.623 15.497 -10.917 0.60 48.88 ? 169 SER a O 1 ? ? +26544 ATOM C CB A SER U 1 159 ? -10.652 15.818 -11.601 0.40 50.51 ? 169 SER a CB 1 ? ? +26545 ATOM C CB B SER U 1 159 ? -10.526 15.858 -11.625 0.60 49.28 ? 169 SER a CB 1 ? ? +26546 ATOM O OG A SER U 1 159 ? -10.654 17.197 -11.279 0.40 50.89 ? 169 SER a OG 1 ? ? +26547 ATOM O OG B SER U 1 159 ? -10.459 17.227 -11.272 0.60 49.64 ? 169 SER a OG 1 ? ? +26548 ATOM N N A ASP U 1 160 ? -8.574 16.334 -9.004 0.40 51.10 ? 170 ASP a N 1 ? ? +26549 ATOM N N B ASP U 1 160 ? -8.525 16.305 -9.005 0.60 49.78 ? 170 ASP a N 1 ? ? +26550 ATOM C CA A ASP U 1 160 ? -7.309 16.840 -8.506 0.40 51.31 ? 170 ASP a CA 1 ? ? +26551 ATOM C CA B ASP U 1 160 ? -7.284 16.831 -8.468 0.60 49.95 ? 170 ASP a CA 1 ? ? +26552 ATOM C C A ASP U 1 160 ? -6.847 16.066 -7.272 0.40 50.93 ? 170 ASP a C 1 ? ? +26553 ATOM C C B ASP U 1 160 ? -6.775 15.981 -7.299 0.60 49.60 ? 170 ASP a C 1 ? ? +26554 ATOM O O A ASP U 1 160 ? -5.955 16.505 -6.547 0.40 51.04 ? 170 ASP a O 1 ? ? +26555 ATOM O O B ASP U 1 160 ? -5.754 16.296 -6.687 0.60 49.58 ? 170 ASP a O 1 ? ? +26556 ATOM C CB A ASP U 1 160 ? -7.362 18.349 -8.258 0.40 52.25 ? 170 ASP a CB 1 ? ? +26557 ATOM C CB B ASP U 1 160 ? -7.470 18.309 -8.099 0.60 50.85 ? 170 ASP a CB 1 ? ? +26558 ATOM C CG A ASP U 1 160 ? -6.622 19.044 -9.375 0.40 52.78 ? 170 ASP a CG 1 ? ? +26559 ATOM C CG B ASP U 1 160 ? -7.340 19.287 -9.255 0.60 51.45 ? 170 ASP a CG 1 ? ? +26560 ATOM O OD1 A ASP U 1 160 ? -7.028 18.875 -10.546 0.40 53.74 ? 170 ASP a OD1 1 ? ? +26561 ATOM O OD1 B ASP U 1 160 ? -7.609 20.494 -9.039 0.60 52.21 ? 170 ASP a OD1 1 ? ? +26562 ATOM O OD2 A ASP U 1 160 ? -5.553 19.686 -9.089 0.40 53.38 ? 170 ASP a OD2 1 ? ? +26563 ATOM O OD2 B ASP U 1 160 ? -6.915 18.851 -10.392 0.60 52.56 ? 170 ASP a OD2 1 ? ? +26564 ATOM N N A GLY U 1 161 ? -7.432 14.883 -7.071 0.40 50.47 ? 171 GLY a N 1 ? ? +26565 ATOM N N B GLY U 1 161 ? -7.452 14.858 -7.033 0.60 49.26 ? 171 GLY a N 1 ? ? +26566 ATOM C CA A GLY U 1 161 ? -6.867 13.905 -6.159 0.40 50.01 ? 171 GLY a CA 1 ? ? +26567 ATOM C CA B GLY U 1 161 ? -6.890 13.818 -6.188 0.60 48.85 ? 171 GLY a CA 1 ? ? +26568 ATOM C C A GLY U 1 161 ? -5.640 13.250 -6.788 0.40 49.24 ? 171 GLY a C 1 ? ? +26569 ATOM C C B GLY U 1 161 ? -5.675 13.155 -6.836 0.60 48.15 ? 171 GLY a C 1 ? ? +26570 ATOM O O A GLY U 1 161 ? -5.438 13.332 -7.995 0.40 48.98 ? 171 GLY a O 1 ? ? +26571 ATOM O O B GLY U 1 161 ? -5.516 13.185 -8.053 0.60 47.88 ? 171 GLY a O 1 ? ? +26572 ATOM N N A MET U 1 162 ? -4.825 12.592 -5.966 0.40 48.81 ? 172 MET a N 1 ? ? +26573 ATOM N N B MET U 1 162 ? -4.827 12.542 -6.009 0.60 47.80 ? 172 MET a N 1 ? ? +26574 ATOM C CA A MET U 1 162 ? -3.611 11.980 -6.474 0.40 48.17 ? 172 MET a CA 1 ? ? +26575 ATOM C CA B MET U 1 162 ? -3.609 11.922 -6.501 0.60 47.22 ? 172 MET a CA 1 ? ? +26576 ATOM C C A MET U 1 162 ? -3.989 10.740 -7.278 0.40 47.73 ? 172 MET a C 1 ? ? +26577 ATOM C C B MET U 1 162 ? -3.974 10.676 -7.306 0.60 46.81 ? 172 MET a C 1 ? ? +26578 ATOM O O A MET U 1 162 ? -4.756 9.900 -6.808 0.40 47.79 ? 172 MET a O 1 ? ? +26579 ATOM O O B MET U 1 162 ? -4.693 9.807 -6.813 0.60 46.83 ? 172 MET a O 1 ? ? +26580 ATOM C CB A MET U 1 162 ? -2.653 11.609 -5.344 0.40 48.05 ? 172 MET a CB 1 ? ? +26581 ATOM C CB B MET U 1 162 ? -2.671 11.550 -5.350 0.60 47.11 ? 172 MET a CB 1 ? ? +26582 ATOM C CG A MET U 1 162 ? -1.294 11.130 -5.858 0.40 47.61 ? 172 MET a CG 1 ? ? +26583 ATOM C CG B MET U 1 162 ? -1.268 11.116 -5.835 0.60 46.70 ? 172 MET a CG 1 ? ? +26584 ATOM S SD A MET U 1 162 ? -0.189 10.634 -4.532 0.40 47.49 ? 172 MET a SD 1 ? ? +26585 ATOM S SD B MET U 1 162 ? -0.176 10.632 -4.493 0.60 46.62 ? 172 MET a SD 1 ? ? +26586 ATOM C CE A MET U 1 162 ? -0.524 8.892 -4.486 0.40 47.19 ? 172 MET a CE 1 ? ? +26587 ATOM C CE B MET U 1 162 ? -0.510 8.907 -4.437 0.60 46.33 ? 172 MET a CE 1 ? ? +26588 ATOM N N A PRO U 1 163 ? -3.478 10.593 -8.521 0.40 47.26 ? 173 PRO a N 1 ? ? +26589 ATOM N N B PRO U 1 163 ? -3.506 10.546 -8.570 0.60 46.41 ? 173 PRO a N 1 ? ? +26590 ATOM C CA A PRO U 1 163 ? -3.716 9.384 -9.307 0.40 46.88 ? 173 PRO a CA 1 ? ? +26591 ATOM C CA B PRO U 1 163 ? -3.746 9.328 -9.342 0.60 46.06 ? 173 PRO a CA 1 ? ? +26592 ATOM C C A PRO U 1 163 ? -3.105 8.157 -8.640 0.40 46.59 ? 173 PRO a C 1 ? ? +26593 ATOM C C B PRO U 1 163 ? -3.090 8.112 -8.692 0.60 45.81 ? 173 PRO a C 1 ? ? +26594 ATOM O O A PRO U 1 163 ? -2.156 8.272 -7.867 0.40 46.61 ? 173 PRO a O 1 ? ? +26595 ATOM O O B PRO U 1 163 ? -2.114 8.252 -7.958 0.60 45.83 ? 173 PRO a O 1 ? ? +26596 ATOM C CB A PRO U 1 163 ? -3.063 9.712 -10.654 0.40 46.66 ? 173 PRO a CB 1 ? ? +26597 ATOM C CB B PRO U 1 163 ? -3.145 9.655 -10.709 0.60 45.84 ? 173 PRO a CB 1 ? ? +26598 ATOM C CG A PRO U 1 163 ? -2.923 11.217 -10.667 0.40 46.95 ? 173 PRO a CG 1 ? ? +26599 ATOM C CG B PRO U 1 163 ? -2.937 11.149 -10.722 0.60 46.10 ? 173 PRO a CG 1 ? ? +26600 ATOM C CD A PRO U 1 163 ? -2.679 11.591 -9.250 0.40 47.20 ? 173 PRO a CD 1 ? ? +26601 ATOM C CD B PRO U 1 163 ? -2.742 11.557 -9.320 0.60 46.36 ? 173 PRO a CD 1 ? ? +26602 ATOM N N A LEU U 1 164 ? -3.666 6.981 -8.940 0.40 46.36 ? 174 LEU a N 1 ? ? +26603 ATOM N N B LEU U 1 164 ? -3.632 6.919 -8.968 0.60 45.63 ? 174 LEU a N 1 ? ? +26604 ATOM C CA A LEU U 1 164 ? -3.181 5.736 -8.373 0.40 46.08 ? 174 LEU a CA 1 ? ? +26605 ATOM C CA B LEU U 1 164 ? -3.104 5.687 -8.405 0.60 45.39 ? 174 LEU a CA 1 ? ? +26606 ATOM C C A LEU U 1 164 ? -2.182 5.146 -9.363 0.40 45.58 ? 174 LEU a C 1 ? ? +26607 ATOM C C B LEU U 1 164 ? -2.092 5.101 -9.385 0.60 44.93 ? 174 LEU a C 1 ? ? +26608 ATOM O O A LEU U 1 164 ? -2.486 4.190 -10.070 0.40 45.38 ? 174 LEU a O 1 ? ? +26609 ATOM O O B LEU U 1 164 ? -2.332 4.071 -10.008 0.60 44.73 ? 174 LEU a O 1 ? ? +26610 ATOM C CB A LEU U 1 164 ? -4.332 4.758 -8.101 0.40 46.20 ? 174 LEU a CB 1 ? ? +26611 ATOM C CB B LEU U 1 164 ? -4.232 4.701 -8.095 0.60 45.50 ? 174 LEU a CB 1 ? ? +26612 ATOM C CG A LEU U 1 164 ? -5.516 5.339 -7.317 0.40 46.69 ? 174 LEU a CG 1 ? ? +26613 ATOM C CG B LEU U 1 164 ? -5.396 5.296 -7.303 0.60 46.00 ? 174 LEU a CG 1 ? ? +26614 ATOM C CD1 A LEU U 1 164 ? -6.557 4.259 -6.986 0.40 46.83 ? 174 LEU a CD1 1 ? ? +26615 ATOM C CD1 B LEU U 1 164 ? -6.435 4.231 -6.938 0.60 46.14 ? 174 LEU a CD1 1 ? ? +26616 ATOM C CD2 A LEU U 1 164 ? -5.055 6.015 -6.046 0.40 46.94 ? 174 LEU a CD2 1 ? ? +26617 ATOM C CD2 B LEU U 1 164 ? -4.918 5.988 -6.054 0.60 46.24 ? 174 LEU a CD2 1 ? ? +26618 ATOM N N A GLY U 1 165 ? -0.992 5.748 -9.421 0.40 45.37 ? 175 GLY a N 1 ? ? +26619 ATOM N N B GLY U 1 165 ? -0.950 5.781 -9.510 0.60 44.79 ? 175 GLY a N 1 ? ? +26620 ATOM C CA A GLY U 1 165 ? 0.049 5.288 -10.323 0.40 44.93 ? 175 GLY a CA 1 ? ? +26621 ATOM C CA B GLY U 1 165 ? 0.117 5.337 -10.389 0.60 44.40 ? 175 GLY a CA 1 ? ? +26622 ATOM C C A GLY U 1 165 ? 1.359 6.036 -10.115 0.40 44.84 ? 175 GLY a C 1 ? ? +26623 ATOM C C B GLY U 1 165 ? 1.434 6.040 -10.087 0.60 44.35 ? 175 GLY a C 1 ? ? +26624 ATOM O O A GLY U 1 165 ? 1.377 7.120 -9.535 0.40 45.11 ? 175 GLY a O 1 ? ? +26625 ATOM O O B GLY U 1 165 ? 1.450 7.086 -9.443 0.60 44.62 ? 175 GLY a O 1 ? ? +26626 ATOM N N A ILE U 1 166 ? 2.449 5.454 -10.620 0.40 44.47 ? 176 ILE a N 1 ? ? +26627 ATOM N N B ILE U 1 166 ? 2.532 5.454 -10.571 0.60 44.04 ? 176 ILE a N 1 ? ? +26628 ATOM C CA A ILE U 1 166 ? 3.779 5.976 -10.359 0.40 44.39 ? 176 ILE a CA 1 ? ? +26629 ATOM C CA B ILE U 1 166 ? 3.865 5.974 -10.314 0.60 43.99 ? 176 ILE a CA 1 ? ? +26630 ATOM C C A ILE U 1 166 ? 3.998 7.338 -11.014 0.40 44.50 ? 176 ILE a C 1 ? ? +26631 ATOM C C B ILE U 1 166 ? 4.037 7.340 -10.974 0.60 44.12 ? 176 ILE a C 1 ? ? +26632 ATOM O O A ILE U 1 166 ? 4.332 8.303 -10.333 0.40 44.73 ? 176 ILE a O 1 ? ? +26633 ATOM O O B ILE U 1 166 ? 4.313 8.333 -10.303 0.60 44.36 ? 176 ILE a O 1 ? ? +26634 ATOM C CB A ILE U 1 166 ? 4.815 4.913 -10.769 0.40 44.03 ? 176 ILE a CB 1 ? ? +26635 ATOM C CB B ILE U 1 166 ? 4.907 4.923 -10.770 0.60 43.65 ? 176 ILE a CB 1 ? ? +26636 ATOM C CG1 A ILE U 1 166 ? 4.792 3.773 -9.742 0.40 43.97 ? 176 ILE a CG1 1 ? ? +26637 ATOM C CG1 B ILE U 1 166 ? 4.905 3.748 -9.785 0.60 43.60 ? 176 ILE a CG1 1 ? ? +26638 ATOM C CG2 A ILE U 1 166 ? 6.211 5.509 -10.932 0.40 44.03 ? 176 ILE a CG2 1 ? ? +26639 ATOM C CG2 B ILE U 1 166 ? 6.305 5.529 -10.934 0.60 43.67 ? 176 ILE a CG2 1 ? ? +26640 ATOM C CD1 A ILE U 1 166 ? 5.482 2.541 -10.162 0.40 43.68 ? 176 ILE a CD1 1 ? ? +26641 ATOM C CD1 B ILE U 1 166 ? 5.474 2.511 -10.305 0.60 43.32 ? 176 ILE a CD1 1 ? ? +26642 ATOM N N A SER U 1 167 ? 3.792 7.414 -12.332 0.40 44.36 ? 177 SER a N 1 ? ? +26643 ATOM N N B SER U 1 167 ? 3.847 7.376 -12.295 0.60 44.00 ? 177 SER a N 1 ? ? +26644 ATOM C CA A SER U 1 167 ? 3.932 8.667 -13.056 0.40 44.52 ? 177 SER a CA 1 ? ? +26645 ATOM C CA B SER U 1 167 ? 3.963 8.605 -13.062 0.60 44.16 ? 177 SER a CA 1 ? ? +26646 ATOM C C A SER U 1 167 ? 2.797 9.640 -12.749 0.40 44.86 ? 177 SER a C 1 ? ? +26647 ATOM C C B SER U 1 167 ? 2.888 9.631 -12.716 0.60 44.53 ? 177 SER a C 1 ? ? +26648 ATOM O O A SER U 1 167 ? 2.974 10.850 -12.858 0.40 45.13 ? 177 SER a O 1 ? ? +26649 ATOM O O B SER U 1 167 ? 3.162 10.829 -12.736 0.60 44.82 ? 177 SER a O 1 ? ? +26650 ATOM C CB A SER U 1 167 ? 4.019 8.416 -14.556 0.40 44.30 ? 177 SER a CB 1 ? ? +26651 ATOM C CB B SER U 1 167 ? 3.956 8.312 -14.557 0.60 43.93 ? 177 SER a CB 1 ? ? +26652 ATOM O OG A SER U 1 167 ? 5.191 7.674 -14.873 0.40 44.04 ? 177 SER a OG 1 ? ? +26653 ATOM O OG B SER U 1 167 ? 5.198 7.736 -14.935 0.60 43.70 ? 177 SER a OG 1 ? ? +26654 ATOM N N A GLY U 1 168 ? 1.633 9.103 -12.369 0.40 44.89 ? 178 GLY a N 1 ? ? +26655 ATOM N N B GLY U 1 168 ? 1.682 9.161 -12.382 0.60 44.59 ? 178 GLY a N 1 ? ? +26656 ATOM C CA A GLY U 1 168 ? 0.517 9.929 -11.935 0.40 45.23 ? 178 GLY a CA 1 ? ? +26657 ATOM C CA B GLY U 1 168 ? 0.614 10.051 -11.952 0.60 44.95 ? 178 GLY a CA 1 ? ? +26658 ATOM C C A GLY U 1 168 ? 0.838 10.678 -10.645 0.40 45.46 ? 178 GLY a C 1 ? ? +26659 ATOM C C B GLY U 1 168 ? 0.905 10.751 -10.626 0.60 45.21 ? 178 GLY a C 1 ? ? +26660 ATOM O O A GLY U 1 168 ? 0.454 11.831 -10.470 0.40 45.77 ? 178 GLY a O 1 ? ? +26661 ATOM O O B GLY U 1 168 ? 0.531 11.903 -10.425 0.60 45.51 ? 178 GLY a O 1 ? ? +26662 ATOM N N A THR U 1 169 ? 1.556 9.996 -9.748 0.40 45.33 ? 179 THR a N 1 ? ? +26663 ATOM N N B THR U 1 169 ? 1.568 10.030 -9.716 0.60 45.11 ? 179 THR a N 1 ? ? +26664 ATOM C CA A THR U 1 169 ? 2.041 10.610 -8.525 0.40 45.56 ? 179 THR a CA 1 ? ? +26665 ATOM C CA B THR U 1 169 ? 2.059 10.629 -8.489 0.60 45.36 ? 179 THR a CA 1 ? ? +26666 ATOM C C A THR U 1 169 ? 2.955 11.795 -8.829 0.40 45.67 ? 179 THR a C 1 ? ? +26667 ATOM C C B THR U 1 169 ? 3.008 11.782 -8.810 0.60 45.46 ? 179 THR a C 1 ? ? +26668 ATOM O O A THR U 1 169 ? 2.853 12.828 -8.172 0.40 46.03 ? 179 THR a O 1 ? ? +26669 ATOM O O B THR U 1 169 ? 2.963 12.806 -8.136 0.60 45.81 ? 179 THR a O 1 ? ? +26670 ATOM C CB A THR U 1 169 ? 2.755 9.578 -7.664 0.40 45.42 ? 179 THR a CB 1 ? ? +26671 ATOM C CB B THR U 1 169 ? 2.719 9.583 -7.608 0.60 45.24 ? 179 THR a CB 1 ? ? +26672 ATOM O OG1 A THR U 1 169 ? 1.861 8.502 -7.371 0.40 45.31 ? 179 THR a OG1 1 ? ? +26673 ATOM O OG1 B THR U 1 169 ? 1.827 8.488 -7.428 0.60 45.10 ? 179 THR a OG1 1 ? ? +26674 ATOM C CG2 A THR U 1 169 ? 3.277 10.175 -6.380 0.40 45.72 ? 179 THR a CG2 1 ? ? +26675 ATOM C CG2 B THR U 1 169 ? 3.107 10.131 -6.267 0.60 45.57 ? 179 THR a CG2 1 ? ? +26676 ATOM N N A PHE U 1 170 ? 3.844 11.647 -9.823 0.40 45.40 ? 180 PHE a N 1 ? ? +26677 ATOM N N B PHE U 1 170 ? 3.843 11.629 -9.847 0.60 45.17 ? 180 PHE a N 1 ? ? +26678 ATOM C CA A PHE U 1 170 ? 4.757 12.723 -10.172 0.40 45.55 ? 180 PHE a CA 1 ? ? +26679 ATOM C CA B PHE U 1 170 ? 4.755 12.699 -10.218 0.60 45.34 ? 180 PHE a CA 1 ? ? +26680 ATOM C C A PHE U 1 170 ? 3.996 13.907 -10.760 0.40 45.84 ? 180 PHE a C 1 ? ? +26681 ATOM C C B PHE U 1 170 ? 4.003 13.887 -10.810 0.60 45.60 ? 180 PHE a C 1 ? ? +26682 ATOM O O A PHE U 1 170 ? 4.315 15.060 -10.482 0.40 46.15 ? 180 PHE a O 1 ? ? +26683 ATOM O O B PHE U 1 170 ? 4.325 15.037 -10.534 0.60 45.93 ? 180 PHE a O 1 ? ? +26684 ATOM C CB A PHE U 1 170 ? 5.864 12.259 -11.145 0.40 45.25 ? 180 PHE a CB 1 ? ? +26685 ATOM C CB B PHE U 1 170 ? 5.869 12.216 -11.182 0.60 45.04 ? 180 PHE a CB 1 ? ? +26686 ATOM C CG A PHE U 1 170 ? 6.627 11.050 -10.670 0.40 44.94 ? 180 PHE a CG 1 ? ? +26687 ATOM C CG B PHE U 1 170 ? 6.622 11.006 -10.690 0.60 44.76 ? 180 PHE a CG 1 ? ? +26688 ATOM C CD1 A PHE U 1 170 ? 6.943 10.893 -9.335 0.40 45.05 ? 180 PHE a CD1 1 ? ? +26689 ATOM C CD1 B PHE U 1 170 ? 6.919 10.852 -9.349 0.60 44.88 ? 180 PHE a CD1 1 ? ? +26690 ATOM C CD2 A PHE U 1 170 ? 7.025 10.072 -11.557 0.40 44.58 ? 180 PHE a CD2 1 ? ? +26691 ATOM C CD2 B PHE U 1 170 ? 7.023 10.018 -11.565 0.60 44.39 ? 180 PHE a CD2 1 ? ? +26692 ATOM C CE1 A PHE U 1 170 ? 7.629 9.774 -8.898 0.40 44.85 ? 180 PHE a CE1 1 ? ? +26693 ATOM C CE1 B PHE U 1 170 ? 7.587 9.730 -8.898 0.60 44.68 ? 180 PHE a CE1 1 ? ? +26694 ATOM C CE2 A PHE U 1 170 ? 7.726 8.964 -11.118 0.40 44.37 ? 180 PHE a CE2 1 ? ? +26695 ATOM C CE2 B PHE U 1 170 ? 7.709 8.908 -11.111 0.60 44.20 ? 180 PHE a CE2 1 ? ? +26696 ATOM C CZ A PHE U 1 170 ? 8.018 8.818 -9.790 0.40 44.51 ? 180 PHE a CZ 1 ? ? +26697 ATOM C CZ B PHE U 1 170 ? 7.977 8.766 -9.779 0.60 44.34 ? 180 PHE a CZ 1 ? ? +26698 ATOM N N A ASN U 1 171 ? 2.972 13.613 -11.561 0.40 45.79 ? 181 ASN a N 1 ? ? +26699 ATOM N N B ASN U 1 171 ? 2.984 13.602 -11.616 0.60 45.55 ? 181 ASN a N 1 ? ? +26700 ATOM C CA A ASN U 1 171 ? 2.117 14.655 -12.105 0.40 46.08 ? 181 ASN a CA 1 ? ? +26701 ATOM C CA B ASN U 1 171 ? 2.094 14.645 -12.100 0.60 45.84 ? 181 ASN a CA 1 ? ? +26702 ATOM C C A ASN U 1 171 ? 1.487 15.468 -10.977 0.40 46.50 ? 181 ASN a C 1 ? ? +26703 ATOM C C B ASN U 1 171 ? 1.492 15.461 -10.960 0.60 46.24 ? 181 ASN a C 1 ? ? +26704 ATOM O O A ASN U 1 171 ? 1.430 16.692 -11.040 0.40 46.84 ? 181 ASN a O 1 ? ? +26705 ATOM O O B ASN U 1 171 ? 1.509 16.687 -10.988 0.60 46.59 ? 181 ASN a O 1 ? ? +26706 ATOM C CB A ASN U 1 171 ? 1.037 14.066 -12.992 0.40 45.93 ? 181 ASN a CB 1 ? ? +26707 ATOM C CB B ASN U 1 171 ? 0.989 14.049 -12.931 0.60 45.68 ? 181 ASN a CB 1 ? ? +26708 ATOM C CG A ASN U 1 171 ? 0.230 15.116 -13.679 0.40 46.22 ? 181 ASN a CG 1 ? ? +26709 ATOM C CG B ASN U 1 171 ? 0.138 15.106 -13.515 0.60 45.98 ? 181 ASN a CG 1 ? ? +26710 ATOM O OD1 A ASN U 1 171 ? -0.916 15.378 -13.317 0.40 46.50 ? 181 ASN a OD1 1 ? ? +26711 ATOM O OD1 B ASN U 1 171 ? -0.996 15.312 -13.082 0.60 46.27 ? 181 ASN a OD1 1 ? ? +26712 ATOM N ND2 A ASN U 1 171 ? 0.804 15.752 -14.673 0.40 46.23 ? 181 ASN a ND2 1 ? ? +26713 ATOM N ND2 B ASN U 1 171 ? 0.666 15.815 -14.483 0.60 46.01 ? 181 ASN a ND2 1 ? ? +26714 ATOM N N A PHE U 1 172 ? 1.024 14.767 -9.941 0.40 46.52 ? 182 PHE a N 1 ? ? +26715 ATOM N N B PHE U 1 172 ? 0.966 14.765 -9.954 0.60 46.25 ? 182 PHE a N 1 ? ? +26716 ATOM C CA A PHE U 1 172 ? 0.376 15.404 -8.810 0.40 46.93 ? 182 PHE a CA 1 ? ? +26717 ATOM C CA B PHE U 1 172 ? 0.399 15.411 -8.782 0.60 46.65 ? 182 PHE a CA 1 ? ? +26718 ATOM C C A PHE U 1 172 ? 1.360 16.329 -8.100 0.40 47.24 ? 182 PHE a C 1 ? ? +26719 ATOM C C B PHE U 1 172 ? 1.411 16.335 -8.111 0.60 46.95 ? 182 PHE a C 1 ? ? +26720 ATOM O O A PHE U 1 172 ? 1.031 17.468 -7.785 0.40 47.66 ? 182 PHE a O 1 ? ? +26721 ATOM O O B PHE U 1 172 ? 1.094 17.482 -7.812 0.60 47.39 ? 182 PHE a O 1 ? ? +26722 ATOM C CB A PHE U 1 172 ? -0.161 14.328 -7.861 0.40 46.82 ? 182 PHE a CB 1 ? ? +26723 ATOM C CB B PHE U 1 172 ? -0.080 14.343 -7.796 0.60 46.52 ? 182 PHE a CB 1 ? ? +26724 ATOM C CG A PHE U 1 172 ? -0.806 14.836 -6.601 0.40 47.17 ? 182 PHE a CG 1 ? ? +26725 ATOM C CG B PHE U 1 172 ? -0.727 14.854 -6.535 0.60 46.87 ? 182 PHE a CG 1 ? ? +26726 ATOM C CD1 A PHE U 1 172 ? -2.119 15.274 -6.603 0.40 47.44 ? 182 PHE a CD1 1 ? ? +26727 ATOM C CD1 B PHE U 1 172 ? -2.068 15.198 -6.515 0.60 47.11 ? 182 PHE a CD1 1 ? ? +26728 ATOM C CD2 A PHE U 1 172 ? -0.106 14.863 -5.410 0.40 47.27 ? 182 PHE a CD2 1 ? ? +26729 ATOM C CD2 B PHE U 1 172 ? -0.002 14.967 -5.364 0.60 46.97 ? 182 PHE a CD2 1 ? ? +26730 ATOM C CE1 A PHE U 1 172 ? -2.713 15.728 -5.437 0.40 47.81 ? 182 PHE a CE1 1 ? ? +26731 ATOM C CE1 B PHE U 1 172 ? -2.664 15.650 -5.349 0.60 47.48 ? 182 PHE a CE1 1 ? ? +26732 ATOM C CE2 A PHE U 1 172 ? -0.702 15.319 -4.249 0.40 47.65 ? 182 PHE a CE2 1 ? ? +26733 ATOM C CE2 B PHE U 1 172 ? -0.602 15.419 -4.201 0.60 47.35 ? 182 PHE a CE2 1 ? ? +26734 ATOM C CZ A PHE U 1 172 ? -2.004 15.746 -4.267 0.40 47.91 ? 182 PHE a CZ 1 ? ? +26735 ATOM C CZ B PHE U 1 172 ? -1.934 15.751 -4.199 0.60 47.60 ? 182 PHE a CZ 1 ? ? +26736 ATOM N N A MET U 1 173 ? 2.578 15.826 -7.874 0.40 47.08 ? 183 MET a N 1 ? ? +26737 ATOM N N B MET U 1 173 ? 2.632 15.827 -7.896 0.60 46.82 ? 183 MET a N 1 ? ? +26738 ATOM C CA A MET U 1 173 ? 3.616 16.574 -7.184 0.40 47.34 ? 183 MET a CA 1 ? ? +26739 ATOM C CA B MET U 1 173 ? 3.665 16.559 -7.179 0.60 47.07 ? 183 MET a CA 1 ? ? +26740 ATOM C C A MET U 1 173 ? 4.019 17.860 -7.898 0.40 47.55 ? 183 MET a C 1 ? ? +26741 ATOM C C B MET U 1 173 ? 4.106 17.837 -7.883 0.60 47.25 ? 183 MET a C 1 ? ? +26742 ATOM O O A MET U 1 173 ? 4.223 18.884 -7.254 0.40 47.92 ? 183 MET a O 1 ? ? +26743 ATOM O O B MET U 1 173 ? 4.324 18.855 -7.236 0.60 47.62 ? 183 MET a O 1 ? ? +26744 ATOM C CB A MET U 1 173 ? 4.855 15.705 -7.046 0.40 47.13 ? 183 MET a CB 1 ? ? +26745 ATOM C CB B MET U 1 173 ? 4.881 15.673 -7.000 0.60 46.89 ? 183 MET a CB 1 ? ? +26746 ATOM C CG A MET U 1 173 ? 4.692 14.595 -6.074 0.40 47.06 ? 183 MET a CG 1 ? ? +26747 ATOM C CG B MET U 1 173 ? 4.676 14.573 -6.035 0.60 46.85 ? 183 MET a CG 1 ? ? +26748 ATOM S SD A MET U 1 173 ? 6.163 13.552 -6.056 0.40 46.85 ? 183 MET a SD 1 ? ? +26749 ATOM S SD B MET U 1 173 ? 6.087 13.457 -6.056 0.60 46.66 ? 183 MET a SD 1 ? ? +26750 ATOM C CE A MET U 1 173 ? 7.080 14.302 -4.759 0.40 47.21 ? 183 MET a CE 1 ? ? +26751 ATOM C CE B MET U 1 173 ? 7.077 14.169 -4.769 0.60 47.00 ? 183 MET a CE 1 ? ? +26752 ATOM N N A ILE U 1 174 ? 4.140 17.796 -9.228 0.40 47.35 ? 184 ILE a N 1 ? ? +26753 ATOM N N B ILE U 1 174 ? 4.246 17.769 -9.209 0.60 47.02 ? 184 ILE a N 1 ? ? +26754 ATOM C CA A ILE U 1 174 ? 4.641 18.914 -10.012 0.40 47.57 ? 184 ILE a CA 1 ? ? +26755 ATOM C CA B ILE U 1 174 ? 4.699 18.903 -10.000 0.60 47.23 ? 184 ILE a CA 1 ? ? +26756 ATOM C C A ILE U 1 174 ? 3.605 20.034 -10.091 0.40 47.99 ? 184 ILE a C 1 ? ? +26757 ATOM C C B ILE U 1 174 ? 3.643 20.007 -10.046 0.60 47.64 ? 184 ILE a C 1 ? ? +26758 ATOM O O A ILE U 1 174 ? 3.923 21.214 -9.922 0.40 48.35 ? 184 ILE a O 1 ? ? +26759 ATOM O O B ILE U 1 174 ? 3.942 21.187 -9.845 0.60 48.00 ? 184 ILE a O 1 ? ? +26760 ATOM C CB A ILE U 1 174 ? 5.067 18.428 -11.425 0.40 47.23 ? 184 ILE a CB 1 ? ? +26761 ATOM C CB B ILE U 1 174 ? 5.086 18.415 -11.420 0.60 46.90 ? 184 ILE a CB 1 ? ? +26762 ATOM C CG1 A ILE U 1 174 ? 6.241 17.445 -11.355 0.40 46.91 ? 184 ILE a CG1 1 ? ? +26763 ATOM C CG1 B ILE U 1 174 ? 6.265 17.438 -11.383 0.60 46.57 ? 184 ILE a CG1 1 ? ? +26764 ATOM C CG2 A ILE U 1 174 ? 5.394 19.603 -12.342 0.40 47.49 ? 184 ILE a CG2 1 ? ? +26765 ATOM C CG2 B ILE U 1 174 ? 5.402 19.574 -12.339 0.60 47.16 ? 184 ILE a CG2 1 ? ? +26766 ATOM C CD1 A ILE U 1 174 ? 6.473 16.669 -12.641 0.40 46.55 ? 184 ILE a CD1 1 ? ? +26767 ATOM C CD1 B ILE U 1 174 ? 6.521 16.705 -12.716 0.60 46.20 ? 184 ILE a CD1 1 ? ? +26768 ATOM N N A VAL U 1 175 ? 2.353 19.647 -10.360 0.40 47.98 ? 185 VAL a N 1 ? ? +26769 ATOM N N B VAL U 1 175 ? 2.397 19.609 -10.330 0.60 47.59 ? 185 VAL a N 1 ? ? +26770 ATOM C CA A VAL U 1 175 ? 1.258 20.599 -10.407 0.40 48.37 ? 185 VAL a CA 1 ? ? +26771 ATOM C CA B VAL U 1 175 ? 1.294 20.552 -10.380 0.60 47.95 ? 185 VAL a CA 1 ? ? +26772 ATOM C C A VAL U 1 175 ? 1.070 21.238 -9.034 0.40 48.75 ? 185 VAL a C 1 ? ? +26773 ATOM C C B VAL U 1 175 ? 1.102 21.194 -9.009 0.60 48.32 ? 185 VAL a C 1 ? ? +26774 ATOM O O A VAL U 1 175 ? 0.778 22.427 -8.941 0.40 49.22 ? 185 VAL a O 1 ? ? +26775 ATOM O O B VAL U 1 175 ? 0.816 22.385 -8.925 0.60 48.79 ? 185 VAL a O 1 ? ? +26776 ATOM C CB A VAL U 1 175 ? -0.023 19.934 -10.929 0.40 48.26 ? 185 VAL a CB 1 ? ? +26777 ATOM C CB B VAL U 1 175 ? 0.026 19.877 -10.910 0.60 47.83 ? 185 VAL a CB 1 ? ? +26778 ATOM C CG1 A VAL U 1 175 ? -1.208 20.881 -10.837 0.40 48.71 ? 185 VAL a CG1 1 ? ? +26779 ATOM C CG1 B VAL U 1 175 ? -1.179 20.795 -10.797 0.60 48.28 ? 185 VAL a CG1 1 ? ? +26780 ATOM C CG2 A VAL U 1 175 ? 0.169 19.444 -12.361 0.40 47.95 ? 185 VAL a CG2 1 ? ? +26781 ATOM C CG2 B VAL U 1 175 ? 0.226 19.429 -12.355 0.60 47.54 ? 185 VAL a CG2 1 ? ? +26782 ATOM N N A PHE U 1 176 ? 1.284 20.455 -7.972 0.40 48.64 ? 186 PHE a N 1 ? ? +26783 ATOM N N B PHE U 1 176 ? 1.312 20.415 -7.943 0.60 48.18 ? 186 PHE a N 1 ? ? +26784 ATOM C CA A PHE U 1 176 ? 1.114 20.951 -6.616 0.40 49.03 ? 186 PHE a CA 1 ? ? +26785 ATOM C CA B PHE U 1 176 ? 1.159 20.920 -6.589 0.60 48.55 ? 186 PHE a CA 1 ? ? +26786 ATOM C C A PHE U 1 176 ? 2.109 22.080 -6.356 0.40 49.44 ? 186 PHE a C 1 ? ? +26787 ATOM C C B PHE U 1 176 ? 2.160 22.049 -6.340 0.60 48.94 ? 186 PHE a C 1 ? ? +26788 ATOM O O A PHE U 1 176 ? 1.741 23.125 -5.821 0.40 49.89 ? 186 PHE a O 1 ? ? +26789 ATOM O O B PHE U 1 176 ? 1.797 23.090 -5.794 0.60 49.40 ? 186 PHE a O 1 ? ? +26790 ATOM C CB A PHE U 1 176 ? 1.266 19.804 -5.600 0.40 48.80 ? 186 PHE a CB 1 ? ? +26791 ATOM C CB B PHE U 1 176 ? 1.300 19.770 -5.569 0.60 48.31 ? 186 PHE a CB 1 ? ? +26792 ATOM C CG A PHE U 1 176 ? 0.483 19.990 -4.319 0.40 49.11 ? 186 PHE a CG 1 ? ? +26793 ATOM C CG B PHE U 1 176 ? 0.533 19.966 -4.281 0.60 48.63 ? 186 PHE a CG 1 ? ? +26794 ATOM C CD1 A PHE U 1 176 ? 0.927 20.853 -3.334 0.40 49.49 ? 186 PHE a CD1 1 ? ? +26795 ATOM C CD1 B PHE U 1 176 ? 1.002 20.820 -3.299 0.60 48.99 ? 186 PHE a CD1 1 ? ? +26796 ATOM C CD2 A PHE U 1 176 ? -0.711 19.318 -4.113 0.40 49.09 ? 186 PHE a CD2 1 ? ? +26797 ATOM C CD2 B PHE U 1 176 ? -0.666 19.309 -4.062 0.60 48.60 ? 186 PHE a CD2 1 ? ? +26798 ATOM C CE1 A PHE U 1 176 ? 0.202 21.024 -2.161 0.40 49.84 ? 186 PHE a CE1 1 ? ? +26799 ATOM C CE1 B PHE U 1 176 ? 0.293 21.001 -2.118 0.60 49.34 ? 186 PHE a CE1 1 ? ? +26800 ATOM C CE2 A PHE U 1 176 ? -1.437 19.498 -2.942 0.40 49.43 ? 186 PHE a CE2 1 ? ? +26801 ATOM C CE2 B PHE U 1 176 ? -1.380 19.503 -2.885 0.60 48.95 ? 186 PHE a CE2 1 ? ? +26802 ATOM C CZ A PHE U 1 176 ? -0.978 20.348 -1.974 0.40 49.79 ? 186 PHE a CZ 1 ? ? +26803 ATOM C CZ B PHE U 1 176 ? -0.899 20.345 -1.920 0.60 49.31 ? 186 PHE a CZ 1 ? ? +26804 ATOM N N A GLN U 1 177 ? 3.367 21.859 -6.765 0.40 49.33 ? 187 GLN a N 1 ? ? +26805 ATOM N N B GLN U 1 177 ? 3.414 21.838 -6.772 0.60 48.80 ? 187 GLN a N 1 ? ? +26806 ATOM C CA A GLN U 1 177 ? 4.423 22.844 -6.615 0.40 49.66 ? 187 GLN a CA 1 ? ? +26807 ATOM C CA B GLN U 1 177 ? 4.475 22.816 -6.608 0.60 49.12 ? 187 GLN a CA 1 ? ? +26808 ATOM C C A GLN U 1 177 ? 4.080 24.128 -7.363 0.40 50.16 ? 187 GLN a C 1 ? ? +26809 ATOM C C B GLN U 1 177 ? 4.141 24.108 -7.348 0.60 49.59 ? 187 GLN a C 1 ? ? +26810 ATOM O O A GLN U 1 177 ? 4.254 25.220 -6.833 0.40 50.58 ? 187 GLN a O 1 ? ? +26811 ATOM O O B GLN U 1 177 ? 4.305 25.195 -6.802 0.60 50.01 ? 187 GLN a O 1 ? ? +26812 ATOM C CB A GLN U 1 177 ? 5.759 22.253 -7.107 0.40 49.32 ? 187 GLN a CB 1 ? ? +26813 ATOM C CB B GLN U 1 177 ? 5.809 22.197 -7.085 0.60 48.77 ? 187 GLN a CB 1 ? ? +26814 ATOM C CG A GLN U 1 177 ? 6.899 23.270 -7.216 0.40 49.54 ? 187 GLN a CG 1 ? ? +26815 ATOM C CG B GLN U 1 177 ? 7.033 23.133 -7.108 0.60 48.99 ? 187 GLN a CG 1 ? ? +26816 ATOM C CD A GLN U 1 177 ? 7.199 23.946 -5.905 0.40 49.90 ? 187 GLN a CD 1 ? ? +26817 ATOM C CD B GLN U 1 177 ? 7.233 23.873 -5.816 0.60 49.37 ? 187 GLN a CD 1 ? ? +26818 ATOM O OE1 A GLN U 1 177 ? 6.940 23.419 -4.813 0.40 49.87 ? 187 GLN a OE1 1 ? ? +26819 ATOM O OE1 B GLN U 1 177 ? 7.059 23.342 -4.718 0.60 49.34 ? 187 GLN a OE1 1 ? ? +26820 ATOM N NE2 A GLN U 1 177 ? 7.775 25.133 -5.986 0.40 50.30 ? 187 GLN a NE2 1 ? ? +26821 ATOM N NE2 B GLN U 1 177 ? 7.586 25.132 -5.913 0.60 49.80 ? 187 GLN a NE2 1 ? ? +26822 ATOM N N A ALA U 1 178 ? 3.578 23.987 -8.592 0.40 50.22 ? 188 ALA a N 1 ? ? +26823 ATOM N N B ALA U 1 178 ? 3.640 23.967 -8.580 0.60 49.63 ? 188 ALA a N 1 ? ? +26824 ATOM C CA A ALA U 1 178 ? 3.140 25.124 -9.386 0.40 50.71 ? 188 ALA a CA 1 ? ? +26825 ATOM C CA B ALA U 1 178 ? 3.173 25.092 -9.379 0.60 50.10 ? 188 ALA a CA 1 ? ? +26826 ATOM C C A ALA U 1 178 ? 2.019 25.933 -8.737 0.40 51.34 ? 188 ALA a C 1 ? ? +26827 ATOM C C B ALA U 1 178 ? 2.053 25.906 -8.735 0.60 50.69 ? 188 ALA a C 1 ? ? +26828 ATOM O O A ALA U 1 178 ? 1.997 27.158 -8.839 0.40 51.79 ? 188 ALA a O 1 ? ? +26829 ATOM O O B ALA U 1 178 ? 2.045 27.129 -8.843 0.60 51.15 ? 188 ALA a O 1 ? ? +26830 ATOM C CB A ALA U 1 178 ? 2.675 24.646 -10.747 0.40 50.46 ? 188 ALA a CB 1 ? ? +26831 ATOM C CB B ALA U 1 178 ? 2.686 24.593 -10.727 0.60 49.85 ? 188 ALA a CB 1 ? ? +26832 ATOM N N A GLU U 1 179 ? 1.074 25.247 -8.086 0.40 51.45 ? 189 GLU a N 1 ? ? +26833 ATOM N N B GLU U 1 179 ? 1.099 25.226 -8.088 0.60 50.75 ? 189 GLU a N 1 ? ? +26834 ATOM C CA A GLU U 1 179 ? -0.126 25.910 -7.606 0.40 52.05 ? 189 GLU a CA 1 ? ? +26835 ATOM C CA B GLU U 1 179 ? -0.104 25.886 -7.604 0.60 51.30 ? 189 GLU a CA 1 ? ? +26836 ATOM C C A GLU U 1 179 ? -0.036 26.347 -6.144 0.40 52.25 ? 189 GLU a C 1 ? ? +26837 ATOM C C B GLU U 1 179 ? -0.052 26.294 -6.132 0.60 51.52 ? 189 GLU a C 1 ? ? +26838 ATOM O O A GLU U 1 179 ? -0.788 27.224 -5.729 0.40 52.73 ? 189 GLU a O 1 ? ? +26839 ATOM O O B GLU U 1 179 ? -0.915 27.044 -5.689 0.60 51.98 ? 189 GLU a O 1 ? ? +26840 ATOM C CB A GLU U 1 179 ? -1.348 25.005 -7.838 0.40 52.15 ? 189 GLU a CB 1 ? ? +26841 ATOM C CB B GLU U 1 179 ? -1.326 24.984 -7.859 0.60 51.37 ? 189 GLU a CB 1 ? ? +26842 ATOM C CG A GLU U 1 179 ? -1.660 24.837 -9.319 0.40 52.28 ? 189 GLU a CG 1 ? ? +26843 ATOM C CG B GLU U 1 179 ? -1.570 24.765 -9.345 0.60 51.44 ? 189 GLU a CG 1 ? ? +26844 ATOM C CD A GLU U 1 179 ? -2.822 23.929 -9.664 0.40 52.42 ? 189 GLU a CD 1 ? ? +26845 ATOM C CD B GLU U 1 179 ? -2.684 23.823 -9.752 0.60 51.52 ? 189 GLU a CD 1 ? ? +26846 ATOM O OE1 A GLU U 1 179 ? -3.298 23.200 -8.766 0.40 52.88 ? 189 GLU a OE1 1 ? ? +26847 ATOM O OE1 B GLU U 1 179 ? -3.189 23.050 -8.909 0.60 51.89 ? 189 GLU a OE1 1 ? ? +26848 ATOM O OE2 A GLU U 1 179 ? -3.263 23.944 -10.834 0.40 52.88 ? 189 GLU a OE2 1 ? ? +26849 ATOM O OE2 B GLU U 1 179 ? -3.052 23.860 -10.944 0.60 51.97 ? 189 GLU a OE2 1 ? ? +26850 ATOM N N A HIS U 1 180 ? 0.906 25.769 -5.386 0.40 51.92 ? 190 HIS a N 1 ? ? +26851 ATOM N N B HIS U 1 180 ? 0.945 25.799 -5.384 0.60 51.20 ? 190 HIS a N 1 ? ? +26852 ATOM C CA A HIS U 1 180 ? 1.020 26.042 -3.961 0.40 52.10 ? 190 HIS a CA 1 ? ? +26853 ATOM C CA B HIS U 1 180 ? 1.058 26.069 -3.957 0.60 51.40 ? 190 HIS a CA 1 ? ? +26854 ATOM C C A HIS U 1 180 ? 2.429 26.342 -3.444 0.40 52.13 ? 190 HIS a C 1 ? ? +26855 ATOM C C B HIS U 1 180 ? 2.464 26.350 -3.425 0.60 51.43 ? 190 HIS a C 1 ? ? +26856 ATOM O O A HIS U 1 180 ? 2.597 26.678 -2.272 0.40 52.40 ? 190 HIS a O 1 ? ? +26857 ATOM O O B HIS U 1 180 ? 2.614 26.711 -2.259 0.60 51.71 ? 190 HIS a O 1 ? ? +26858 ATOM C CB A HIS U 1 180 ? 0.488 24.846 -3.193 0.40 51.88 ? 190 HIS a CB 1 ? ? +26859 ATOM C CB B HIS U 1 180 ? 0.516 24.879 -3.189 0.60 51.16 ? 190 HIS a CB 1 ? ? +26860 ATOM C CG A HIS U 1 180 ? -0.933 24.504 -3.520 0.40 51.87 ? 190 HIS a CG 1 ? ? +26861 ATOM C CG B HIS U 1 180 ? -0.900 24.528 -3.530 0.60 51.14 ? 190 HIS a CG 1 ? ? +26862 ATOM N ND1 A HIS U 1 180 ? -1.978 25.305 -3.107 0.40 52.32 ? 190 HIS a ND1 1 ? ? +26863 ATOM N ND1 B HIS U 1 180 ? -1.950 25.338 -3.160 0.60 51.58 ? 190 HIS a ND1 1 ? ? +26864 ATOM C CD2 A HIS U 1 180 ? -1.434 23.448 -4.199 0.40 51.48 ? 190 HIS a CD2 1 ? ? +26865 ATOM C CD2 B HIS U 1 180 ? -1.388 23.454 -4.191 0.60 50.72 ? 190 HIS a CD2 1 ? ? +26866 ATOM C CE1 A HIS U 1 180 ? -3.081 24.717 -3.542 0.40 52.22 ? 190 HIS a CE1 1 ? ? +26867 ATOM C CE1 B HIS U 1 180 ? -3.041 24.739 -3.602 0.60 51.47 ? 190 HIS a CE1 1 ? ? +26868 ATOM N NE2 A HIS U 1 180 ? -2.797 23.593 -4.209 0.40 51.71 ? 190 HIS a NE2 1 ? ? +26869 ATOM N NE2 B HIS U 1 180 ? -2.744 23.602 -4.235 0.60 50.94 ? 190 HIS a NE2 1 ? ? +26870 ATOM N N A ASN U 1 181 ? 3.432 26.218 -4.321 0.40 51.80 ? 191 ASN a N 1 ? ? +26871 ATOM N N B ASN U 1 181 ? 3.484 26.177 -4.278 0.60 51.11 ? 191 ASN a N 1 ? ? +26872 ATOM C CA A ASN U 1 181 ? 4.824 26.384 -3.941 0.40 51.79 ? 191 ASN a CA 1 ? ? +26873 ATOM C CA B ASN U 1 181 ? 4.871 26.344 -3.887 0.60 51.12 ? 191 ASN a CA 1 ? ? +26874 ATOM C C A ASN U 1 181 ? 5.126 25.629 -2.649 0.40 51.67 ? 191 ASN a C 1 ? ? +26875 ATOM C C B ASN U 1 181 ? 5.186 25.574 -2.604 0.60 51.04 ? 191 ASN a C 1 ? ? +26876 ATOM O O A ASN U 1 181 ? 5.631 26.206 -1.689 0.40 52.02 ? 191 ASN a O 1 ? ? +26877 ATOM O O B ASN U 1 181 ? 5.705 26.133 -1.638 0.60 51.38 ? 191 ASN a O 1 ? ? +26878 ATOM C CB A ASN U 1 181 ? 5.163 27.858 -3.784 0.40 52.33 ? 191 ASN a CB 1 ? ? +26879 ATOM C CB B ASN U 1 181 ? 5.192 27.826 -3.740 0.60 51.67 ? 191 ASN a CB 1 ? ? +26880 ATOM C CG A ASN U 1 181 ? 6.643 28.150 -3.870 0.40 52.39 ? 191 ASN a CG 1 ? ? +26881 ATOM C CG B ASN U 1 181 ? 6.659 28.138 -3.897 0.60 51.73 ? 191 ASN a CG 1 ? ? +26882 ATOM O OD1 A ASN U 1 181 ? 7.479 27.282 -4.139 0.40 52.00 ? 191 ASN a OD1 1 ? ? +26883 ATOM O OD1 B ASN U 1 181 ? 7.485 27.274 -4.186 0.60 51.33 ? 191 ASN a OD1 1 ? ? +26884 ATOM N ND2 A ASN U 1 181 ? 6.990 29.394 -3.647 0.40 52.90 ? 191 ASN a ND2 1 ? ? +26885 ATOM N ND2 B ASN U 1 181 ? 7.001 29.387 -3.723 0.60 52.23 ? 191 ASN a ND2 1 ? ? +26886 ATOM N N A ILE U 1 182 ? 4.829 24.325 -2.655 0.40 51.16 ? 192 ILE a N 1 ? ? +26887 ATOM N N B ILE U 1 182 ? 4.874 24.274 -2.623 0.60 50.56 ? 192 ILE a N 1 ? ? +26888 ATOM C CA A ILE U 1 182 ? 4.960 23.486 -1.475 0.40 51.07 ? 192 ILE a CA 1 ? ? +26889 ATOM C CA B ILE U 1 182 ? 4.979 23.426 -1.447 0.60 50.47 ? 192 ILE a CA 1 ? ? +26890 ATOM C C A ILE U 1 182 ? 6.381 23.438 -0.910 0.40 51.07 ? 192 ILE a C 1 ? ? +26891 ATOM C C B ILE U 1 182 ? 6.391 23.365 -0.865 0.60 50.51 ? 192 ILE a C 1 ? ? +26892 ATOM O O A ILE U 1 182 ? 6.562 23.327 0.301 0.40 51.24 ? 192 ILE a O 1 ? ? +26893 ATOM O O B ILE U 1 182 ? 6.548 23.207 0.343 0.60 50.65 ? 192 ILE a O 1 ? ? +26894 ATOM C CB A ILE U 1 182 ? 4.421 22.065 -1.793 0.40 50.61 ? 192 ILE a CB 1 ? ? +26895 ATOM C CB B ILE U 1 182 ? 4.426 22.003 -1.749 0.60 50.01 ? 192 ILE a CB 1 ? ? +26896 ATOM C CG1 A ILE U 1 182 ? 4.543 21.138 -0.566 0.40 50.57 ? 192 ILE a CG1 1 ? ? +26897 ATOM C CG1 B ILE U 1 182 ? 4.636 21.063 -0.545 0.60 49.97 ? 192 ILE a CG1 1 ? ? +26898 ATOM C CG2 A ILE U 1 182 ? 5.099 21.465 -3.019 0.40 50.19 ? 192 ILE a CG2 1 ? ? +26899 ATOM C CG2 B ILE U 1 182 ? 5.028 21.402 -3.008 0.60 49.59 ? 192 ILE a CG2 1 ? ? +26900 ATOM C CD1 A ILE U 1 182 ? 3.812 19.838 -0.681 0.40 50.20 ? 192 ILE a CD1 1 ? ? +26901 ATOM C CD1 B ILE U 1 182 ? 3.799 19.841 -0.528 0.60 49.66 ? 192 ILE a CD1 1 ? ? +26902 ATOM N N A LEU U 1 183 ? 7.395 23.532 -1.779 0.40 50.86 ? 193 LEU a N 1 ? ? +26903 ATOM N N B LEU U 1 183 ? 7.414 23.499 -1.722 0.60 50.35 ? 193 LEU a N 1 ? ? +26904 ATOM C CA A LEU U 1 183 ? 8.775 23.475 -1.323 0.40 50.87 ? 193 LEU a CA 1 ? ? +26905 ATOM C CA B LEU U 1 183 ? 8.796 23.451 -1.271 0.60 50.38 ? 193 LEU a CA 1 ? ? +26906 ATOM C C A LEU U 1 183 ? 9.086 24.586 -0.322 0.40 51.38 ? 193 LEU a C 1 ? ? +26907 ATOM C C B LEU U 1 183 ? 9.114 24.572 -0.286 0.60 50.92 ? 193 LEU a C 1 ? ? +26908 ATOM O O A LEU U 1 183 ? 9.872 24.389 0.598 0.40 51.47 ? 193 LEU a O 1 ? ? +26909 ATOM O O B LEU U 1 183 ? 9.881 24.366 0.647 0.60 51.01 ? 193 LEU a O 1 ? ? +26910 ATOM C CB A LEU U 1 183 ? 9.723 23.543 -2.524 0.40 50.69 ? 193 LEU a CB 1 ? ? +26911 ATOM C CB B LEU U 1 183 ? 9.743 23.507 -2.485 0.60 50.20 ? 193 LEU a CB 1 ? ? +26912 ATOM C CG A LEU U 1 183 ? 9.753 22.280 -3.379 0.40 50.10 ? 193 LEU a CG 1 ? ? +26913 ATOM C CG B LEU U 1 183 ? 9.777 22.240 -3.356 0.60 49.60 ? 193 LEU a CG 1 ? ? +26914 ATOM C CD1 A LEU U 1 183 ? 10.585 22.479 -4.611 0.40 49.98 ? 193 LEU a CD1 1 ? ? +26915 ATOM C CD1 B LEU U 1 183 ? 10.577 22.459 -4.604 0.60 49.47 ? 193 LEU a CD1 1 ? ? +26916 ATOM C CD2 A LEU U 1 183 ? 10.274 21.100 -2.585 0.40 49.90 ? 193 LEU a CD2 1 ? ? +26917 ATOM C CD2 B LEU U 1 183 ? 10.340 21.062 -2.587 0.60 49.40 ? 193 LEU a CD2 1 ? ? +26918 ATOM N N A MET U 1 184 ? 8.431 25.740 -0.493 0.40 51.72 ? 194 MET a N 1 ? ? +26919 ATOM N N B MET U 1 184 ? 8.481 25.737 -0.476 0.60 51.30 ? 194 MET a N 1 ? ? +26920 ATOM C CA A MET U 1 184 ? 8.633 26.886 0.379 0.40 52.28 ? 194 MET a CA 1 ? ? +26921 ATOM C CA B MET U 1 184 ? 8.688 26.896 0.383 0.60 51.89 ? 194 MET a CA 1 ? ? +26922 ATOM C C A MET U 1 184 ? 7.658 26.917 1.556 0.40 52.51 ? 194 MET a C 1 ? ? +26923 ATOM C C B MET U 1 184 ? 7.738 26.945 1.580 0.60 52.16 ? 194 MET a C 1 ? ? +26924 ATOM O O A MET U 1 184 ? 7.579 27.914 2.269 0.40 53.02 ? 194 MET a O 1 ? ? +26925 ATOM O O B MET U 1 184 ? 7.746 27.916 2.332 0.60 52.70 ? 194 MET a O 1 ? ? +26926 ATOM C CB A MET U 1 184 ? 8.492 28.179 -0.437 0.40 52.57 ? 194 MET a CB 1 ? ? +26927 ATOM C CB B MET U 1 184 ? 8.524 28.181 -0.445 0.60 52.18 ? 194 MET a CB 1 ? ? +26928 ATOM C CG A MET U 1 184 ? 9.588 28.353 -1.468 0.40 52.49 ? 194 MET a CG 1 ? ? +26929 ATOM C CG B MET U 1 184 ? 9.612 28.365 -1.476 0.60 52.10 ? 194 MET a CG 1 ? ? +26930 ATOM S SD A MET U 1 184 ? 11.220 28.668 -0.759 0.40 52.85 ? 194 MET a SD 1 ? ? +26931 ATOM S SD B MET U 1 184 ? 11.233 28.703 -0.752 0.60 52.47 ? 194 MET a SD 1 ? ? +26932 ATOM C CE A MET U 1 184 ? 10.983 30.283 -0.175 0.40 53.55 ? 194 MET a CE 1 ? ? +26933 ATOM C CE B MET U 1 184 ? 11.000 30.355 -0.259 0.60 53.18 ? 194 MET a CE 1 ? ? +26934 ATOM N N A HIS U 1 185 ? 6.918 25.822 1.766 0.40 52.16 ? 195 HIS a N 1 ? ? +26935 ATOM N N B HIS U 1 185 ? 6.930 25.892 1.762 0.60 51.86 ? 195 HIS a N 1 ? ? +26936 ATOM C CA A HIS U 1 185 ? 6.001 25.738 2.891 0.40 52.34 ? 195 HIS a CA 1 ? ? +26937 ATOM C CA B HIS U 1 185 ? 5.993 25.818 2.871 0.60 52.07 ? 195 HIS a CA 1 ? ? +26938 ATOM C C A HIS U 1 185 ? 6.690 25.050 4.065 0.40 52.36 ? 195 HIS a C 1 ? ? +26939 ATOM C C B HIS U 1 185 ? 6.655 25.108 4.047 0.60 52.11 ? 195 HIS a C 1 ? ? +26940 ATOM O O A HIS U 1 185 ? 7.233 23.961 3.920 0.40 51.95 ? 195 HIS a O 1 ? ? +26941 ATOM O O B HIS U 1 185 ? 7.093 23.974 3.914 0.60 51.69 ? 195 HIS a O 1 ? ? +26942 ATOM C CB A HIS U 1 185 ? 4.712 24.998 2.501 0.40 52.02 ? 195 HIS a CB 1 ? ? +26943 ATOM C CB B HIS U 1 185 ? 4.714 25.080 2.450 0.60 51.74 ? 195 HIS a CB 1 ? ? +26944 ATOM C CG A HIS U 1 185 ? 3.581 25.209 3.459 0.40 52.34 ? 195 HIS a CG 1 ? ? +26945 ATOM C CG B HIS U 1 185 ? 3.574 25.192 3.418 0.60 52.03 ? 195 HIS a CG 1 ? ? +26946 ATOM N ND1 A HIS U 1 185 ? 3.651 24.766 4.758 0.40 52.50 ? 195 HIS a ND1 1 ? ? +26947 ATOM N ND1 B HIS U 1 185 ? 3.644 24.652 4.679 0.60 52.14 ? 195 HIS a ND1 1 ? ? +26948 ATOM C CD2 A HIS U 1 185 ? 2.392 25.825 3.271 0.40 52.56 ? 195 HIS a CD2 1 ? ? +26949 ATOM C CD2 B HIS U 1 185 ? 2.360 25.772 3.258 0.60 52.24 ? 195 HIS a CD2 1 ? ? +26950 ATOM C CE1 A HIS U 1 185 ? 2.504 25.116 5.324 0.40 52.83 ? 195 HIS a CE1 1 ? ? +26951 ATOM C CE1 B HIS U 1 185 ? 2.479 24.920 5.258 0.60 52.46 ? 195 HIS a CE1 1 ? ? +26952 ATOM N NE2 A HIS U 1 185 ? 1.713 25.754 4.459 0.40 52.86 ? 195 HIS a NE2 1 ? ? +26953 ATOM N NE2 B HIS U 1 185 ? 1.675 25.597 4.433 0.60 52.52 ? 195 HIS a NE2 1 ? ? +26954 ATOM N N A PRO U 1 186 ? 6.697 25.662 5.268 0.40 52.87 ? 196 PRO a N 1 ? ? +26955 ATOM N N B PRO U 1 186 ? 6.708 25.728 5.245 0.60 52.67 ? 196 PRO a N 1 ? ? +26956 ATOM C CA A PRO U 1 186 ? 7.401 25.080 6.410 0.40 52.97 ? 196 PRO a CA 1 ? ? +26957 ATOM C CA B PRO U 1 186 ? 7.425 25.144 6.375 0.60 52.79 ? 196 PRO a CA 1 ? ? +26958 ATOM C C A PRO U 1 186 ? 6.918 23.697 6.837 0.40 52.62 ? 196 PRO a C 1 ? ? +26959 ATOM C C B PRO U 1 186 ? 6.957 23.761 6.817 0.60 52.48 ? 196 PRO a C 1 ? ? +26960 ATOM O O A PRO U 1 186 ? 7.679 22.943 7.436 0.40 52.61 ? 196 PRO a O 1 ? ? +26961 ATOM O O B PRO U 1 186 ? 7.719 23.046 7.457 0.60 52.52 ? 196 PRO a O 1 ? ? +26962 ATOM C CB A PRO U 1 186 ? 7.208 26.119 7.525 0.40 53.61 ? 196 PRO a CB 1 ? ? +26963 ATOM C CB B PRO U 1 186 ? 7.241 26.180 7.494 0.60 53.42 ? 196 PRO a CB 1 ? ? +26964 ATOM C CG A PRO U 1 186 ? 6.100 27.021 7.068 0.40 53.81 ? 196 PRO a CG 1 ? ? +26965 ATOM C CG B PRO U 1 186 ? 6.110 27.051 7.065 0.60 53.62 ? 196 PRO a CG 1 ? ? +26966 ATOM C CD A PRO U 1 186 ? 6.069 26.959 5.570 0.40 53.40 ? 196 PRO a CD 1 ? ? +26967 ATOM C CD B PRO U 1 186 ? 6.085 27.022 5.569 0.60 53.23 ? 196 PRO a CD 1 ? ? +26968 ATOM N N A PHE U 1 187 ? 5.662 23.359 6.537 0.40 52.42 ? 197 PHE a N 1 ? ? +26969 ATOM N N B PHE U 1 187 ? 5.718 23.381 6.496 0.60 52.30 ? 197 PHE a N 1 ? ? +26970 ATOM C CA A PHE U 1 187 ? 5.132 22.063 6.932 0.40 52.12 ? 197 PHE a CA 1 ? ? +26971 ATOM C CA B PHE U 1 187 ? 5.203 22.092 6.933 0.60 52.06 ? 197 PHE a CA 1 ? ? +26972 ATOM C C A PHE U 1 187 ? 5.668 20.943 6.046 0.40 51.50 ? 197 PHE a C 1 ? ? +26973 ATOM C C B PHE U 1 187 ? 5.721 20.948 6.069 0.60 51.43 ? 197 PHE a C 1 ? ? +26974 ATOM O O A PHE U 1 187 ? 5.808 19.812 6.501 0.40 51.29 ? 197 PHE a O 1 ? ? +26975 ATOM O O B PHE U 1 187 ? 5.900 19.842 6.567 0.60 51.22 ? 197 PHE a O 1 ? ? +26976 ATOM C CB A PHE U 1 187 ? 3.586 22.060 6.933 0.40 52.20 ? 197 PHE a CB 1 ? ? +26977 ATOM C CB B PHE U 1 187 ? 3.651 22.078 6.973 0.60 52.18 ? 197 PHE a CB 1 ? ? +26978 ATOM C CG A PHE U 1 187 ? 2.954 22.650 8.175 0.40 52.76 ? 197 PHE a CG 1 ? ? +26979 ATOM C CG B PHE U 1 187 ? 3.006 22.689 8.202 0.60 52.76 ? 197 PHE a CG 1 ? ? +26980 ATOM C CD1 A PHE U 1 187 ? 3.712 23.353 9.090 0.40 53.19 ? 197 PHE a CD1 1 ? ? +26981 ATOM C CD1 B PHE U 1 187 ? 3.736 23.473 9.077 0.60 53.24 ? 197 PHE a CD1 1 ? ? +26982 ATOM C CD2 A PHE U 1 187 ? 1.608 22.485 8.430 0.40 52.90 ? 197 PHE a CD2 1 ? ? +26983 ATOM C CD2 B PHE U 1 187 ? 1.676 22.459 8.488 0.60 52.94 ? 197 PHE a CD2 1 ? ? +26984 ATOM C CE1 A PHE U 1 187 ? 3.134 23.888 10.226 0.40 53.72 ? 197 PHE a CE1 1 ? ? +26985 ATOM C CE1 B PHE U 1 187 ? 3.146 24.021 10.200 0.60 53.79 ? 197 PHE a CE1 1 ? ? +26986 ATOM C CE2 A PHE U 1 187 ? 1.030 23.023 9.568 0.40 53.44 ? 197 PHE a CE2 1 ? ? +26987 ATOM C CE2 B PHE U 1 187 ? 1.085 23.011 9.615 0.60 53.52 ? 197 PHE a CE2 1 ? ? +26988 ATOM C CZ A PHE U 1 187 ? 1.798 23.722 10.460 0.40 53.86 ? 197 PHE a CZ 1 ? ? +26989 ATOM C CZ B PHE U 1 187 ? 1.825 23.790 10.464 0.60 53.95 ? 197 PHE a CZ 1 ? ? +26990 ATOM N N A HIS U 1 188 ? 5.951 21.259 4.779 0.40 51.25 ? 198 HIS a N 1 ? ? +26991 ATOM N N B HIS U 1 188 ? 5.936 21.214 4.777 0.60 51.18 ? 198 HIS a N 1 ? ? +26992 ATOM C CA A HIS U 1 188 ? 6.631 20.315 3.908 0.40 50.79 ? 198 HIS a CA 1 ? ? +26993 ATOM C CA B HIS U 1 188 ? 6.637 20.278 3.911 0.60 50.73 ? 198 HIS a CA 1 ? ? +26994 ATOM C C A HIS U 1 188 ? 8.086 20.186 4.352 0.40 50.88 ? 198 HIS a C 1 ? ? +26995 ATOM C C B HIS U 1 188 ? 8.124 20.201 4.261 0.60 50.84 ? 198 HIS a C 1 ? ? +26996 ATOM O O A HIS U 1 188 ? 8.631 19.089 4.365 0.40 50.62 ? 198 HIS a O 1 ? ? +26997 ATOM O O B HIS U 1 188 ? 8.748 19.164 4.073 0.60 50.57 ? 198 HIS a O 1 ? ? +26998 ATOM C CB A HIS U 1 188 ? 6.569 20.729 2.433 0.40 50.54 ? 198 HIS a CB 1 ? ? +26999 ATOM C CB B HIS U 1 188 ? 6.498 20.664 2.432 0.60 50.48 ? 198 HIS a CB 1 ? ? +27000 ATOM C CG A HIS U 1 188 ? 7.282 19.779 1.518 0.40 50.06 ? 198 HIS a CG 1 ? ? +27001 ATOM C CG B HIS U 1 188 ? 7.276 19.775 1.507 0.60 50.02 ? 198 HIS a CG 1 ? ? +27002 ATOM N ND1 A HIS U 1 188 ? 8.538 20.069 0.994 0.40 50.04 ? 198 HIS a ND1 1 ? ? +27003 ATOM N ND1 B HIS U 1 188 ? 8.602 20.053 1.165 0.60 50.05 ? 198 HIS a ND1 1 ? ? +27004 ATOM C CD2 A HIS U 1 188 ? 6.918 18.552 1.096 0.40 49.62 ? 198 HIS a CD2 1 ? ? +27005 ATOM C CD2 B HIS U 1 188 ? 6.927 18.607 0.938 0.60 49.56 ? 198 HIS a CD2 1 ? ? +27006 ATOM C CE1 A HIS U 1 188 ? 8.876 19.027 0.252 0.40 49.56 ? 198 HIS a CE1 1 ? ? +27007 ATOM C CE1 B HIS U 1 188 ? 8.987 19.072 0.367 0.60 49.55 ? 198 HIS a CE1 1 ? ? +27008 ATOM N NE2 A HIS U 1 188 ? 7.930 18.091 0.282 0.40 49.29 ? 198 HIS a NE2 1 ? ? +27009 ATOM N NE2 B HIS U 1 188 ? 8.014 18.180 0.202 0.60 49.25 ? 198 HIS a NE2 1 ? ? +27010 ATOM N N . GLN U 1 189 ? 8.695 21.311 4.742 1.00 51.30 ? 199 GLN a N 1 ? ? +27011 ATOM C CA . GLN U 1 189 ? 10.077 21.328 5.190 1.00 51.52 ? 199 GLN a CA 1 ? ? +27012 ATOM C CB . GLN U 1 189 ? 10.540 22.769 5.398 1.00 51.98 ? 199 GLN a CB 1 ? ? +27013 ATOM C CG . GLN U 1 189 ? 10.607 23.538 4.102 1.00 51.83 ? 199 GLN a CG 1 ? ? +27014 ATOM C CD . GLN U 1 189 ? 10.596 25.006 4.299 1.00 52.32 ? 199 GLN a CD 1 ? ? +27015 ATOM O OE1 . GLN U 1 189 ? 10.751 25.511 5.402 1.00 52.79 ? 199 GLN a OE1 1 ? ? +27016 ATOM N NE2 . GLN U 1 189 ? 10.400 25.727 3.214 1.00 52.31 ? 199 GLN a NE2 1 ? ? +27017 ATOM C C . GLN U 1 189 ? 10.265 20.491 6.455 1.00 51.71 ? 199 GLN a C 1 ? ? +27018 ATOM O O . GLN U 1 189 ? 11.223 19.724 6.554 1.00 51.56 ? 199 GLN a O 1 ? ? +27019 ATOM N N . LEU U 1 190 ? 9.325 20.620 7.400 1.00 52.02 ? 200 LEU a N 1 ? ? +27020 ATOM C CA . LEU U 1 190 ? 9.306 19.774 8.585 1.00 52.18 ? 200 LEU a CA 1 ? ? +27021 ATOM C CB . LEU U 1 190 ? 8.203 20.220 9.564 1.00 52.67 ? 200 LEU a CB 1 ? ? +27022 ATOM C CG . LEU U 1 190 ? 8.459 21.541 10.321 1.00 53.34 ? 200 LEU a CG 1 ? ? +27023 ATOM C CD1 . LEU U 1 190 ? 7.152 22.053 10.982 1.00 53.72 ? 200 LEU a CD1 1 ? ? +27024 ATOM C CD2 . LEU U 1 190 ? 9.555 21.399 11.349 1.00 53.69 ? 200 LEU a CD2 1 ? ? +27025 ATOM C C . LEU U 1 190 ? 9.111 18.307 8.200 1.00 51.63 ? 200 LEU a C 1 ? ? +27026 ATOM O O . LEU U 1 190 ? 9.666 17.409 8.834 1.00 51.61 ? 200 LEU a O 1 ? ? +27027 ATOM N N . GLY U 1 191 ? 8.319 18.074 7.151 1.00 51.19 ? 201 GLY a N 1 ? ? +27028 ATOM C CA . GLY U 1 191 ? 8.121 16.738 6.615 1.00 50.67 ? 201 GLY a CA 1 ? ? +27029 ATOM C C . GLY U 1 191 ? 9.404 16.111 6.081 1.00 50.33 ? 201 GLY a C 1 ? ? +27030 ATOM O O . GLY U 1 191 ? 9.691 14.955 6.360 1.00 50.13 ? 201 GLY a O 1 ? ? +27031 ATOM N N . VAL U 1 192 ? 10.169 16.887 5.311 1.00 50.33 ? 202 VAL a N 1 ? ? +27032 ATOM C CA . VAL U 1 192 ? 11.463 16.440 4.822 1.00 50.18 ? 202 VAL a CA 1 ? ? +27033 ATOM C CB . VAL U 1 192 ? 12.097 17.470 3.880 1.00 50.27 ? 202 VAL a CB 1 ? ? +27034 ATOM C CG1 . VAL U 1 192 ? 13.537 17.080 3.533 1.00 50.21 ? 202 VAL a CG1 1 ? ? +27035 ATOM C CG2 . VAL U 1 192 ? 11.248 17.645 2.625 1.00 49.91 ? 202 VAL a CG2 1 ? ? +27036 ATOM C C . VAL U 1 192 ? 12.402 16.118 5.984 1.00 50.45 ? 202 VAL a C 1 ? ? +27037 ATOM O O . VAL U 1 192 ? 13.080 15.096 5.960 1.00 50.19 ? 202 VAL a O 1 ? ? +27038 ATOM N N A ALA U 1 193 ? 12.422 17.000 6.990 0.40 50.92 ? 203 ALA a N 1 ? ? +27039 ATOM N N B ALA U 1 193 ? 12.406 16.985 7.004 0.60 51.02 ? 203 ALA a N 1 ? ? +27040 ATOM C CA A ALA U 1 193 ? 13.208 16.775 8.191 0.40 51.26 ? 203 ALA a CA 1 ? ? +27041 ATOM C CA B ALA U 1 193 ? 13.175 16.766 8.217 0.60 51.45 ? 203 ALA a CA 1 ? ? +27042 ATOM C C A ALA U 1 193 ? 12.786 15.463 8.841 0.40 51.11 ? 203 ALA a C 1 ? ? +27043 ATOM C C B ALA U 1 193 ? 12.768 15.466 8.899 0.60 51.30 ? 203 ALA a C 1 ? ? +27044 ATOM O O A ALA U 1 193 ? 13.632 14.688 9.280 0.40 51.15 ? 203 ALA a O 1 ? ? +27045 ATOM O O B ALA U 1 193 ? 13.611 14.776 9.470 0.60 51.40 ? 203 ALA a O 1 ? ? +27046 ATOM C CB A ALA U 1 193 ? 13.048 17.929 9.163 0.40 51.83 ? 203 ALA a CB 1 ? ? +27047 ATOM C CB B ALA U 1 193 ? 12.995 17.933 9.170 0.60 52.10 ? 203 ALA a CB 1 ? ? +27048 ATOM N N A GLY U 1 194 ? 11.467 15.234 8.875 0.40 50.97 ? 204 GLY a N 1 ? ? +27049 ATOM N N B GLY U 1 194 ? 11.465 15.158 8.840 0.60 51.08 ? 204 GLY a N 1 ? ? +27050 ATOM C CA A GLY U 1 194 ? 10.885 14.012 9.403 0.40 50.81 ? 204 GLY a CA 1 ? ? +27051 ATOM C CA B GLY U 1 194 ? 10.918 13.926 9.382 0.60 50.89 ? 204 GLY a CA 1 ? ? +27052 ATOM C C A GLY U 1 194 ? 11.405 12.734 8.748 0.40 50.33 ? 204 GLY a C 1 ? ? +27053 ATOM C C B GLY U 1 194 ? 11.456 12.666 8.709 0.60 50.41 ? 204 GLY a C 1 ? ? +27054 ATOM O O A GLY U 1 194 ? 11.818 11.808 9.443 0.40 50.41 ? 204 GLY a O 1 ? ? +27055 ATOM O O B GLY U 1 194 ? 11.915 11.750 9.389 0.60 50.49 ? 204 GLY a O 1 ? ? +27056 ATOM N N A VAL U 1 195 ? 11.385 12.686 7.410 0.40 49.90 ? 205 VAL a N 1 ? ? +27057 ATOM N N B VAL U 1 195 ? 11.409 12.635 7.371 0.60 49.96 ? 205 VAL a N 1 ? ? +27058 ATOM C CA A VAL U 1 195 ? 11.774 11.479 6.700 0.40 49.45 ? 205 VAL a CA 1 ? ? +27059 ATOM C CA B VAL U 1 195 ? 11.792 11.446 6.624 0.60 49.49 ? 205 VAL a CA 1 ? ? +27060 ATOM C C A VAL U 1 195 ? 13.287 11.380 6.488 0.40 49.46 ? 205 VAL a C 1 ? ? +27061 ATOM C C B VAL U 1 195 ? 13.307 11.328 6.436 0.60 49.48 ? 205 VAL a C 1 ? ? +27062 ATOM O O A VAL U 1 195 ? 13.840 10.289 6.595 0.40 49.31 ? 205 VAL a O 1 ? ? +27063 ATOM O O B VAL U 1 195 ? 13.838 10.227 6.535 0.60 49.33 ? 205 VAL a O 1 ? ? +27064 ATOM C CB A VAL U 1 195 ? 10.991 11.308 5.373 0.40 49.01 ? 205 VAL a CB 1 ? ? +27065 ATOM C CB B VAL U 1 195 ? 11.013 11.322 5.287 0.60 49.05 ? 205 VAL a CB 1 ? ? +27066 ATOM C CG1 A VAL U 1 195 ? 9.480 11.417 5.613 0.40 49.06 ? 205 VAL a CG1 1 ? ? +27067 ATOM C CG1 B VAL U 1 195 ? 9.504 11.265 5.545 0.60 49.08 ? 205 VAL a CG1 1 ? ? +27068 ATOM C CG2 A VAL U 1 195 ? 11.449 12.291 4.312 0.40 48.95 ? 205 VAL a CG2 1 ? ? +27069 ATOM C CG2 B VAL U 1 195 ? 11.348 12.436 4.315 0.60 49.04 ? 205 VAL a CG2 1 ? ? +27070 ATOM N N A PHE U 1 196 ? 13.962 12.504 6.210 0.40 49.66 ? 206 PHE a N 1 ? ? +27071 ATOM N N B PHE U 1 196 ? 14.009 12.445 6.198 0.60 49.70 ? 206 PHE a N 1 ? ? +27072 ATOM C CA A PHE U 1 196 ? 15.421 12.513 6.194 0.40 49.80 ? 206 PHE a CA 1 ? ? +27073 ATOM C CA B PHE U 1 196 ? 15.469 12.425 6.225 0.60 49.84 ? 206 PHE a CA 1 ? ? +27074 ATOM C C A PHE U 1 196 ? 15.959 12.103 7.561 0.40 50.21 ? 206 PHE a C 1 ? ? +27075 ATOM C C B PHE U 1 196 ? 15.969 12.013 7.604 0.60 50.29 ? 206 PHE a C 1 ? ? +27076 ATOM O O A PHE U 1 196 ? 16.849 11.261 7.652 0.40 50.23 ? 206 PHE a O 1 ? ? +27077 ATOM O O B PHE U 1 196 ? 16.810 11.125 7.711 0.60 50.32 ? 206 PHE a O 1 ? ? +27078 ATOM C CB A PHE U 1 196 ? 16.022 13.892 5.828 0.40 50.03 ? 206 PHE a CB 1 ? ? +27079 ATOM C CB B PHE U 1 196 ? 16.117 13.784 5.852 0.60 50.04 ? 206 PHE a CB 1 ? ? +27080 ATOM C CG A PHE U 1 196 ? 16.176 14.186 4.356 0.40 49.65 ? 206 PHE a CG 1 ? ? +27081 ATOM C CG B PHE U 1 196 ? 16.225 14.105 4.381 0.60 49.64 ? 206 PHE a CG 1 ? ? +27082 ATOM C CD1 A PHE U 1 196 ? 15.919 13.215 3.409 0.40 49.14 ? 206 PHE a CD1 1 ? ? +27083 ATOM C CD1 B PHE U 1 196 ? 15.920 13.157 3.419 0.60 49.12 ? 206 PHE a CD1 1 ? ? +27084 ATOM C CD2 A PHE U 1 196 ? 16.566 15.440 3.922 0.40 49.87 ? 206 PHE a CD2 1 ? ? +27085 ATOM C CD2 B PHE U 1 196 ? 16.616 15.362 3.959 0.60 49.85 ? 206 PHE a CD2 1 ? ? +27086 ATOM C CE1 A PHE U 1 196 ? 16.056 13.490 2.055 0.40 48.86 ? 206 PHE a CE1 1 ? ? +27087 ATOM C CE1 B PHE U 1 196 ? 16.013 13.457 2.067 0.60 48.84 ? 206 PHE a CE1 1 ? ? +27088 ATOM C CE2 A PHE U 1 196 ? 16.709 15.709 2.568 0.40 49.60 ? 206 PHE a CE2 1 ? ? +27089 ATOM C CE2 B PHE U 1 196 ? 16.704 15.662 2.606 0.60 49.57 ? 206 PHE a CE2 1 ? ? +27090 ATOM C CZ A PHE U 1 196 ? 16.448 14.735 1.643 0.40 49.10 ? 206 PHE a CZ 1 ? ? +27091 ATOM C CZ B PHE U 1 196 ? 16.404 14.708 1.667 0.60 49.08 ? 206 PHE a CZ 1 ? ? +27092 ATOM N N A GLY U 1 197 ? 15.407 12.718 8.614 0.40 50.63 ? 207 GLY a N 1 ? ? +27093 ATOM N N B GLY U 1 197 ? 15.445 12.671 8.644 0.60 50.74 ? 207 GLY a N 1 ? ? +27094 ATOM C CA A GLY U 1 197 ? 15.803 12.425 9.980 0.40 51.07 ? 207 GLY a CA 1 ? ? +27095 ATOM C CA B GLY U 1 197 ? 15.818 12.372 10.015 0.60 51.19 ? 207 GLY a CA 1 ? ? +27096 ATOM C C A GLY U 1 197 ? 15.441 11.001 10.383 0.40 50.90 ? 207 GLY a C 1 ? ? +27097 ATOM C C B GLY U 1 197 ? 15.470 10.935 10.382 0.60 51.04 ? 207 GLY a C 1 ? ? +27098 ATOM O O A GLY U 1 197 ? 16.192 10.339 11.092 0.40 51.09 ? 207 GLY a O 1 ? ? +27099 ATOM O O B GLY U 1 197 ? 16.255 10.243 11.017 0.60 51.23 ? 207 GLY a O 1 ? ? +27100 ATOM N N A GLY U 1 198 ? 14.271 10.541 9.930 0.40 50.58 ? 208 GLY a N 1 ? ? +27101 ATOM N N B GLY U 1 198 ? 14.279 10.494 9.969 0.60 50.77 ? 208 GLY a N 1 ? ? +27102 ATOM C CA A GLY U 1 198 ? 13.846 9.179 10.199 0.40 50.42 ? 208 GLY a CA 1 ? ? +27103 ATOM C CA B GLY U 1 198 ? 13.867 9.121 10.191 0.60 50.60 ? 208 GLY a CA 1 ? ? +27104 ATOM C C A GLY U 1 198 ? 14.838 8.165 9.640 0.40 50.15 ? 208 GLY a C 1 ? ? +27105 ATOM C C B GLY U 1 198 ? 14.849 8.126 9.582 0.60 50.34 ? 208 GLY a C 1 ? ? +27106 ATOM O O A GLY U 1 198 ? 15.206 7.211 10.318 0.40 50.25 ? 208 GLY a O 1 ? ? +27107 ATOM O O B GLY U 1 198 ? 15.202 7.142 10.216 0.60 50.40 ? 208 GLY a O 1 ? ? +27108 ATOM N N A ALA U 1 199 ? 15.254 8.390 8.391 0.40 49.89 ? 209 ALA a N 1 ? ? +27109 ATOM N N B ALA U 1 199 ? 15.266 8.395 8.344 0.60 50.14 ? 209 ALA a N 1 ? ? +27110 ATOM C CA A ALA U 1 199 ? 16.222 7.535 7.726 0.40 49.73 ? 209 ALA a CA 1 ? ? +27111 ATOM C CA B ALA U 1 199 ? 16.270 7.590 7.668 0.60 50.04 ? 209 ALA a CA 1 ? ? +27112 ATOM C C A ALA U 1 199 ? 17.586 7.602 8.414 0.40 50.20 ? 209 ALA a C 1 ? ? +27113 ATOM C C B ALA U 1 199 ? 17.637 7.667 8.353 0.60 50.58 ? 209 ALA a C 1 ? ? +27114 ATOM O O A ALA U 1 199 ? 18.253 6.582 8.585 0.40 50.16 ? 209 ALA a O 1 ? ? +27115 ATOM O O B ALA U 1 199 ? 18.330 6.656 8.469 0.60 50.52 ? 209 ALA a O 1 ? ? +27116 ATOM C CB A ALA U 1 199 ? 16.346 7.933 6.265 0.40 49.35 ? 209 ALA a CB 1 ? ? +27117 ATOM C CB B ALA U 1 199 ? 16.387 8.025 6.216 0.60 49.68 ? 209 ALA a CB 1 ? ? +27118 ATOM N N A LEU U 1 200 ? 17.980 8.814 8.817 0.40 50.68 ? 210 LEU a N 1 ? ? +27119 ATOM N N B LEU U 1 200 ? 18.007 8.869 8.812 0.60 51.15 ? 210 LEU a N 1 ? ? +27120 ATOM C CA A LEU U 1 200 ? 19.223 9.024 9.542 0.40 51.25 ? 210 LEU a CA 1 ? ? +27121 ATOM C CA B LEU U 1 200 ? 19.243 9.075 9.553 0.60 51.82 ? 210 LEU a CA 1 ? ? +27122 ATOM C C A LEU U 1 200 ? 19.234 8.202 10.831 0.40 51.60 ? 210 LEU a C 1 ? ? +27123 ATOM C C B LEU U 1 200 ? 19.256 8.239 10.831 0.60 52.24 ? 210 LEU a C 1 ? ? +27124 ATOM O O A LEU U 1 200 ? 20.139 7.399 11.055 0.40 51.72 ? 210 LEU a O 1 ? ? +27125 ATOM O O B LEU U 1 200 ? 20.199 7.490 11.074 0.60 52.42 ? 210 LEU a O 1 ? ? +27126 ATOM C CB A LEU U 1 200 ? 19.395 10.524 9.855 0.40 51.70 ? 210 LEU a CB 1 ? ? +27127 ATOM C CB B LEU U 1 200 ? 19.421 10.568 9.902 0.60 52.29 ? 210 LEU a CB 1 ? ? +27128 ATOM C CG A LEU U 1 200 ? 20.814 11.003 10.175 0.40 52.20 ? 210 LEU a CG 1 ? ? +27129 ATOM C CG B LEU U 1 200 ? 20.845 11.029 10.216 0.60 52.80 ? 210 LEU a CG 1 ? ? +27130 ATOM C CD1 A LEU U 1 200 ? 20.845 12.499 10.398 0.40 52.60 ? 210 LEU a CD1 1 ? ? +27131 ATOM C CD1 B LEU U 1 200 ? 20.907 12.537 10.392 0.60 53.21 ? 210 LEU a CD1 1 ? ? +27132 ATOM C CD2 A LEU U 1 200 ? 21.386 10.305 11.381 0.40 52.62 ? 210 LEU a CD2 1 ? ? +27133 ATOM C CD2 B LEU U 1 200 ? 21.410 10.367 11.450 0.60 53.26 ? 210 LEU a CD2 1 ? ? +27134 ATOM N N A PHE U 1 201 ? 18.211 8.404 11.671 0.40 51.78 ? 211 PHE a N 1 ? ? +27135 ATOM N N B PHE U 1 201 ? 18.199 8.366 11.641 0.60 52.46 ? 211 PHE a N 1 ? ? +27136 ATOM C CA A PHE U 1 201 ? 18.156 7.762 12.973 0.40 52.13 ? 211 PHE a CA 1 ? ? +27137 ATOM C CA B PHE U 1 201 ? 18.145 7.707 12.935 0.60 52.83 ? 211 PHE a CA 1 ? ? +27138 ATOM C C A PHE U 1 201 ? 17.968 6.254 12.840 0.40 51.82 ? 211 PHE a C 1 ? ? +27139 ATOM C C B PHE U 1 201 ? 17.941 6.201 12.798 0.60 52.46 ? 211 PHE a C 1 ? ? +27140 ATOM O O A PHE U 1 201 ? 18.430 5.493 13.689 0.40 52.10 ? 211 PHE a O 1 ? ? +27141 ATOM O O B PHE U 1 201 ? 18.366 5.439 13.663 0.60 52.76 ? 211 PHE a O 1 ? ? +27142 ATOM C CB A PHE U 1 201 ? 17.051 8.395 13.824 0.40 52.41 ? 211 PHE a CB 1 ? ? +27143 ATOM C CB B PHE U 1 201 ? 17.056 8.340 13.803 0.60 53.19 ? 211 PHE a CB 1 ? ? +27144 ATOM C CG A PHE U 1 201 ? 17.268 9.870 14.067 0.40 52.79 ? 211 PHE a CG 1 ? ? +27145 ATOM C CG B PHE U 1 201 ? 17.229 9.831 13.984 0.60 53.62 ? 211 PHE a CG 1 ? ? +27146 ATOM C CD1 A PHE U 1 201 ? 18.514 10.354 14.404 0.40 53.20 ? 211 PHE a CD1 1 ? ? +27147 ATOM C CD1 B PHE U 1 201 ? 18.467 10.373 14.257 0.60 54.07 ? 211 PHE a CD1 1 ? ? +27148 ATOM C CD2 A PHE U 1 201 ? 16.220 10.768 13.974 0.40 52.80 ? 211 PHE a CD2 1 ? ? +27149 ATOM C CD2 B PHE U 1 201 ? 16.147 10.688 13.897 0.60 53.64 ? 211 PHE a CD2 1 ? ? +27150 ATOM C CE1 A PHE U 1 201 ? 18.713 11.708 14.623 0.40 53.58 ? 211 PHE a CE1 1 ? ? +27151 ATOM C CE1 B PHE U 1 201 ? 18.621 11.739 14.424 0.60 54.42 ? 211 PHE a CE1 1 ? ? +27152 ATOM C CE2 A PHE U 1 201 ? 16.425 12.122 14.198 0.40 53.17 ? 211 PHE a CE2 1 ? ? +27153 ATOM C CE2 B PHE U 1 201 ? 16.311 12.056 14.067 0.60 53.98 ? 211 PHE a CE2 1 ? ? +27154 ATOM C CZ A PHE U 1 201 ? 17.669 12.583 14.520 0.40 53.55 ? 211 PHE a CZ 1 ? ? +27155 ATOM C CZ B PHE U 1 201 ? 17.545 12.571 14.329 0.60 54.35 ? 211 PHE a CZ 1 ? ? +27156 ATOM N N A CYS U 1 202 ? 17.303 5.839 11.758 0.40 51.28 ? 212 CYS a N 1 ? ? +27157 ATOM N N B CYS U 1 202 ? 17.309 5.785 11.697 0.60 51.85 ? 212 CYS a N 1 ? ? +27158 ATOM C CA A CYS U 1 202 ? 17.160 4.433 11.425 0.40 50.95 ? 212 CYS a CA 1 ? ? +27159 ATOM C CA B CYS U 1 202 ? 17.154 4.376 11.384 0.60 51.49 ? 212 CYS a CA 1 ? ? +27160 ATOM C C A CYS U 1 202 ? 18.535 3.786 11.263 0.40 51.11 ? 212 CYS a C 1 ? ? +27161 ATOM C C B CYS U 1 202 ? 18.530 3.727 11.241 0.60 51.70 ? 212 CYS a C 1 ? ? +27162 ATOM O O A CYS U 1 202 ? 18.856 2.821 11.955 0.40 51.25 ? 212 CYS a O 1 ? ? +27163 ATOM O O B CYS U 1 202 ? 18.839 2.761 11.933 0.60 51.80 ? 212 CYS a O 1 ? ? +27164 ATOM C CB A CYS U 1 202 ? 16.306 4.269 10.171 0.40 50.30 ? 212 CYS a CB 1 ? ? +27165 ATOM C CB B CYS U 1 202 ? 16.306 4.196 10.128 0.60 50.75 ? 212 CYS a CB 1 ? ? +27166 ATOM S SG A CYS U 1 202 ? 15.984 2.550 9.711 0.40 49.83 ? 212 CYS a SG 1 ? ? +27167 ATOM S SG B CYS U 1 202 ? 16.017 2.473 9.662 0.60 50.21 ? 212 CYS a SG 1 ? ? +27168 ATOM N N A ALA U 1 203 ? 19.346 4.335 10.349 0.40 51.15 ? 213 ALA a N 1 ? ? +27169 ATOM N N B ALA U 1 203 ? 19.355 4.279 10.344 0.60 51.83 ? 213 ALA a N 1 ? ? +27170 ATOM C CA A ALA U 1 203 ? 20.692 3.833 10.112 0.40 51.37 ? 213 ALA a CA 1 ? ? +27171 ATOM C CA B ALA U 1 203 ? 20.713 3.791 10.139 0.60 52.17 ? 213 ALA a CA 1 ? ? +27172 ATOM C C A ALA U 1 203 ? 21.545 3.938 11.371 0.40 52.12 ? 213 ALA a C 1 ? ? +27173 ATOM C C B ALA U 1 203 ? 21.528 3.834 11.427 0.60 53.03 ? 213 ALA a C 1 ? ? +27174 ATOM O O A ALA U 1 203 ? 22.338 3.048 11.669 0.40 52.27 ? 213 ALA a O 1 ? ? +27175 ATOM O O B ALA U 1 203 ? 22.227 2.883 11.760 0.60 53.17 ? 213 ALA a O 1 ? ? +27176 ATOM C CB A ALA U 1 203 ? 21.351 4.593 8.972 0.40 51.20 ? 213 ALA a CB 1 ? ? +27177 ATOM C CB B ALA U 1 203 ? 21.410 4.605 9.064 0.60 52.02 ? 213 ALA a CB 1 ? ? +27178 ATOM N N A MET U 1 204 ? 21.347 5.032 12.108 0.40 52.72 ? 214 MET a N 1 ? ? +27179 ATOM N N B MET U 1 204 ? 21.384 4.944 12.152 0.60 53.85 ? 214 MET a N 1 ? ? +27180 ATOM C CA A MET U 1 204 ? 22.097 5.310 13.317 0.40 53.52 ? 214 MET a CA 1 ? ? +27181 ATOM C CA B MET U 1 204 ? 22.161 5.223 13.345 0.60 54.84 ? 214 MET a CA 1 ? ? +27182 ATOM C C A MET U 1 204 ? 21.846 4.222 14.359 0.40 53.70 ? 214 MET a C 1 ? ? +27183 ATOM C C B MET U 1 204 ? 21.888 4.194 14.437 0.60 54.94 ? 214 MET a C 1 ? ? +27184 ATOM O O A MET U 1 204 ? 22.783 3.588 14.841 0.40 53.96 ? 214 MET a O 1 ? ? +27185 ATOM O O B MET U 1 204 ? 22.817 3.656 15.035 0.60 55.23 ? 214 MET a O 1 ? ? +27186 ATOM C CB A MET U 1 204 ? 21.687 6.696 13.846 0.40 54.05 ? 214 MET a CB 1 ? ? +27187 ATOM C CB B MET U 1 204 ? 21.810 6.632 13.843 0.60 55.65 ? 214 MET a CB 1 ? ? +27188 ATOM C CG A MET U 1 204 ? 22.692 7.309 14.771 0.40 54.92 ? 214 MET a CG 1 ? ? +27189 ATOM C CG B MET U 1 204 ? 22.847 7.212 14.725 0.60 56.74 ? 214 MET a CG 1 ? ? +27190 ATOM S SD A MET U 1 204 ? 24.128 7.980 13.873 0.40 55.33 ? 214 MET a SD 1 ? ? +27191 ATOM S SD B MET U 1 204 ? 24.362 7.480 13.756 0.60 57.46 ? 214 MET a SD 1 ? ? +27192 ATOM C CE A MET U 1 204 ? 25.377 7.745 15.096 0.40 56.06 ? 214 MET a CE 1 ? ? +27193 ATOM C CE B MET U 1 204 ? 25.553 7.638 15.082 0.60 58.33 ? 214 MET a CE 1 ? ? +27194 ATOM N N A HIS U 1 205 ? 20.567 4.004 14.694 0.40 53.54 ? 215 HIS a N 1 ? ? +27195 ATOM N N B HIS U 1 205 ? 20.599 3.945 14.701 0.60 54.68 ? 215 HIS a N 1 ? ? +27196 ATOM C CA A HIS U 1 205 ? 20.191 3.014 15.690 0.40 53.73 ? 215 HIS a CA 1 ? ? +27197 ATOM C CA B HIS U 1 205 ? 20.191 2.950 15.679 0.60 54.76 ? 215 HIS a CA 1 ? ? +27198 ATOM C C A HIS U 1 205 ? 20.624 1.615 15.261 0.40 53.60 ? 215 HIS a C 1 ? ? +27199 ATOM C C B HIS U 1 205 ? 20.596 1.556 15.209 0.60 54.64 ? 215 HIS a C 1 ? ? +27200 ATOM O O A HIS U 1 205 ? 21.139 0.841 16.066 0.40 54.01 ? 215 HIS a O 1 ? ? +27201 ATOM O O B HIS U 1 205 ? 21.059 0.734 15.997 0.60 55.08 ? 215 HIS a O 1 ? ? +27202 ATOM C CB A HIS U 1 205 ? 18.679 3.036 15.953 0.40 53.48 ? 215 HIS a CB 1 ? ? +27203 ATOM C CB B HIS U 1 205 ? 18.681 3.022 15.935 0.60 54.39 ? 215 HIS a CB 1 ? ? +27204 ATOM C CG A HIS U 1 205 ? 18.235 2.046 16.987 0.40 53.61 ? 215 HIS a CG 1 ? ? +27205 ATOM C CG B HIS U 1 205 ? 18.180 2.055 16.964 0.60 54.40 ? 215 HIS a CG 1 ? ? +27206 ATOM N ND1 A HIS U 1 205 ? 18.677 2.123 18.284 0.40 54.19 ? 215 HIS a ND1 1 ? ? +27207 ATOM N ND1 B HIS U 1 205 ? 18.572 2.139 18.272 0.60 54.96 ? 215 HIS a ND1 1 ? ? +27208 ATOM C CD2 A HIS U 1 205 ? 17.409 0.985 16.871 0.40 53.31 ? 215 HIS a CD2 1 ? ? +27209 ATOM C CD2 B HIS U 1 205 ? 17.314 1.027 16.836 0.60 54.04 ? 215 HIS a CD2 1 ? ? +27210 ATOM C CE1 A HIS U 1 205 ? 18.115 1.112 18.926 0.40 54.28 ? 215 HIS a CE1 1 ? ? +27211 ATOM C CE1 B HIS U 1 205 ? 17.953 1.157 18.910 0.60 54.99 ? 215 HIS a CE1 1 ? ? +27212 ATOM N NE2 A HIS U 1 205 ? 17.336 0.400 18.108 0.40 53.74 ? 215 HIS a NE2 1 ? ? +27213 ATOM N NE2 B HIS U 1 205 ? 17.176 0.459 18.078 0.60 54.38 ? 215 HIS a NE2 1 ? ? +27214 ATOM N N A GLY U 1 206 ? 20.406 1.303 13.981 0.40 53.13 ? 216 GLY a N 1 ? ? +27215 ATOM N N B GLY U 1 206 ? 20.431 1.304 13.909 0.60 54.20 ? 216 GLY a N 1 ? ? +27216 ATOM C CA A GLY U 1 206 ? 20.811 0.025 13.423 0.40 52.96 ? 216 GLY a CA 1 ? ? +27217 ATOM C CA B GLY U 1 206 ? 20.803 0.026 13.329 0.60 54.02 ? 216 GLY a CA 1 ? ? +27218 ATOM C C A GLY U 1 206 ? 22.315 -0.223 13.516 0.40 53.37 ? 216 GLY a C 1 ? ? +27219 ATOM C C B GLY U 1 206 ? 22.302 -0.251 13.410 0.60 54.49 ? 216 GLY a C 1 ? ? +27220 ATOM O O A GLY U 1 206 ? 22.746 -1.324 13.854 0.40 53.56 ? 216 GLY a O 1 ? ? +27221 ATOM O O B GLY U 1 206 ? 22.712 -1.362 13.740 0.60 54.75 ? 216 GLY a O 1 ? ? +27222 ATOM N N A SER U 1 207 ? 23.109 0.810 13.212 0.40 53.60 ? 217 SER a N 1 ? ? +27223 ATOM N N B SER U 1 207 ? 23.111 0.773 13.119 0.60 54.73 ? 217 SER a N 1 ? ? +27224 ATOM C CA A SER U 1 207 ? 24.553 0.665 13.174 0.40 53.95 ? 217 SER a CA 1 ? ? +27225 ATOM C CA B SER U 1 207 ? 24.554 0.618 13.108 0.60 55.09 ? 217 SER a CA 1 ? ? +27226 ATOM C C A SER U 1 207 ? 25.138 0.555 14.581 0.40 54.79 ? 217 SER a C 1 ? ? +27227 ATOM C C B SER U 1 207 ? 25.130 0.471 14.514 0.60 56.08 ? 217 SER a C 1 ? ? +27228 ATOM O O A SER U 1 207 ? 26.100 -0.178 14.794 0.40 55.12 ? 217 SER a O 1 ? ? +27229 ATOM O O B SER U 1 207 ? 26.080 -0.281 14.705 0.60 56.51 ? 217 SER a O 1 ? ? +27230 ATOM C CB A SER U 1 207 ? 25.203 1.800 12.380 0.40 53.85 ? 217 SER a CB 1 ? ? +27231 ATOM C CB B SER U 1 207 ? 25.216 1.770 12.357 0.60 54.92 ? 217 SER a CB 1 ? ? +27232 ATOM O OG A SER U 1 207 ? 25.069 3.069 12.996 0.40 54.17 ? 217 SER a OG 1 ? ? +27233 ATOM O OG B SER U 1 207 ? 25.082 3.009 13.031 0.60 55.20 ? 217 SER a OG 1 ? ? +27234 ATOM N N A LEU U 1 208 ? 24.540 1.263 15.545 0.40 55.29 ? 218 LEU a N 1 ? ? +27235 ATOM N N B LEU U 1 208 ? 24.543 1.164 15.497 0.60 56.75 ? 218 LEU a N 1 ? ? +27236 ATOM C CA A LEU U 1 208 ? 25.053 1.266 16.907 0.40 56.10 ? 218 LEU a CA 1 ? ? +27237 ATOM C CA B LEU U 1 208 ? 25.076 1.156 16.853 0.60 57.68 ? 218 LEU a CA 1 ? ? +27238 ATOM C C A LEU U 1 208 ? 24.788 -0.062 17.613 0.40 56.30 ? 218 LEU a C 1 ? ? +27239 ATOM C C B LEU U 1 208 ? 24.787 -0.152 17.584 0.60 57.70 ? 218 LEU a C 1 ? ? +27240 ATOM O O A LEU U 1 208 ? 25.679 -0.616 18.253 0.40 56.75 ? 218 LEU a O 1 ? ? +27241 ATOM O O B LEU U 1 208 ? 25.659 -0.680 18.266 0.60 58.16 ? 218 LEU a O 1 ? ? +27242 ATOM C CB A LEU U 1 208 ? 24.438 2.424 17.706 0.40 56.44 ? 218 LEU a CB 1 ? ? +27243 ATOM C CB B LEU U 1 208 ? 24.506 2.332 17.654 0.60 58.33 ? 218 LEU a CB 1 ? ? +27244 ATOM C CG A LEU U 1 208 ? 24.955 3.805 17.347 0.40 56.59 ? 218 LEU a CG 1 ? ? +27245 ATOM C CG B LEU U 1 208 ? 25.023 3.709 17.241 0.60 58.75 ? 218 LEU a CG 1 ? ? +27246 ATOM C CD1 A LEU U 1 208 ? 24.236 4.863 18.140 0.40 56.93 ? 218 LEU a CD1 1 ? ? +27247 ATOM C CD1 B LEU U 1 208 ? 24.225 4.784 17.900 0.60 59.32 ? 218 LEU a CD1 1 ? ? +27248 ATOM C CD2 A LEU U 1 208 ? 26.451 3.912 17.569 0.40 57.03 ? 218 LEU a CD2 1 ? ? +27249 ATOM C CD2 B LEU U 1 208 ? 26.491 3.894 17.570 0.60 59.18 ? 218 LEU a CD2 1 ? ? +27250 ATOM N N A VAL U 1 209 ? 23.555 -0.566 17.490 0.40 56.06 ? 219 VAL a N 1 ? ? +27251 ATOM N N B VAL U 1 209 ? 23.554 -0.653 17.450 0.60 57.28 ? 219 VAL a N 1 ? ? +27252 ATOM C CA A VAL U 1 209 ? 23.203 -1.858 18.056 0.40 56.23 ? 219 VAL a CA 1 ? ? +27253 ATOM C CA B VAL U 1 209 ? 23.181 -1.947 17.998 0.60 57.25 ? 219 VAL a CA 1 ? ? +27254 ATOM C C A VAL U 1 209 ? 24.040 -2.957 17.406 0.40 56.19 ? 219 VAL a C 1 ? ? +27255 ATOM C C B VAL U 1 209 ? 23.995 -3.062 17.344 0.60 57.12 ? 219 VAL a C 1 ? ? +27256 ATOM O O A VAL U 1 209 ? 24.575 -3.823 18.092 0.40 56.59 ? 219 VAL a O 1 ? ? +27257 ATOM O O B VAL U 1 209 ? 24.511 -3.935 18.036 0.60 57.53 ? 219 VAL a O 1 ? ? +27258 ATOM C CB A VAL U 1 209 ? 21.686 -2.152 17.919 0.40 55.78 ? 219 VAL a CB 1 ? ? +27259 ATOM C CB B VAL U 1 209 ? 21.655 -2.217 17.856 0.60 56.69 ? 219 VAL a CB 1 ? ? +27260 ATOM C CG1 A VAL U 1 209 ? 21.374 -3.606 18.266 0.40 55.74 ? 219 VAL a CG1 1 ? ? +27261 ATOM C CG1 B VAL U 1 209 ? 21.309 -3.663 18.213 0.60 56.61 ? 219 VAL a CG1 1 ? ? +27262 ATOM C CG2 A VAL U 1 209 ? 20.858 -1.188 18.766 0.40 56.04 ? 219 VAL a CG2 1 ? ? +27263 ATOM C CG2 B VAL U 1 209 ? 20.842 -1.236 18.693 0.60 56.92 ? 219 VAL a CG2 1 ? ? +27264 ATOM N N A THR U 1 210 ? 24.147 -2.917 16.076 0.40 55.90 ? 220 THR a N 1 ? ? +27265 ATOM N N B THR U 1 210 ? 24.088 -3.033 16.010 0.60 56.77 ? 220 THR a N 1 ? ? +27266 ATOM C CA A THR U 1 210 ? 24.941 -3.893 15.350 0.40 56.00 ? 220 THR a CA 1 ? ? +27267 ATOM C CA B THR U 1 210 ? 24.873 -4.011 15.272 0.60 56.90 ? 220 THR a CA 1 ? ? +27268 ATOM C C A THR U 1 210 ? 26.417 -3.829 15.750 0.40 56.86 ? 220 THR a C 1 ? ? +27269 ATOM C C B THR U 1 210 ? 26.360 -3.982 15.636 0.60 57.79 ? 220 THR a C 1 ? ? +27270 ATOM O O A THR U 1 210 ? 27.087 -4.857 15.802 0.40 56.98 ? 220 THR a O 1 ? ? +27271 ATOM O O B THR U 1 210 ? 27.009 -5.026 15.664 0.60 57.94 ? 220 THR a O 1 ? ? +27272 ATOM C CB A THR U 1 210 ? 24.749 -3.703 13.847 0.40 55.32 ? 220 THR a CB 1 ? ? +27273 ATOM C CB B THR U 1 210 ? 24.682 -3.811 13.767 0.60 56.19 ? 220 THR a CB 1 ? ? +27274 ATOM O OG1 A THR U 1 210 ? 23.371 -3.925 13.536 0.40 54.94 ? 220 THR a OG1 1 ? ? +27275 ATOM O OG1 B THR U 1 210 ? 23.324 -4.119 13.435 0.60 55.83 ? 220 THR a OG1 1 ? ? +27276 ATOM C CG2 A THR U 1 210 ? 25.624 -4.638 13.021 0.40 55.11 ? 220 THR a CG2 1 ? ? +27277 ATOM C CG2 B THR U 1 210 ? 25.616 -4.683 12.932 0.60 55.99 ? 220 THR a CG2 1 ? ? +27278 ATOM N N A SER U 1 211 ? 26.911 -2.623 16.056 0.40 57.55 ? 221 SER a N 1 ? ? +27279 ATOM N N B SER U 1 211 ? 26.889 -2.787 15.926 0.60 58.45 ? 221 SER a N 1 ? ? +27280 ATOM C CA A SER U 1 211 ? 28.316 -2.437 16.375 0.40 58.44 ? 221 SER a CA 1 ? ? +27281 ATOM C CA B SER U 1 211 ? 28.304 -2.630 16.206 0.60 59.35 ? 221 SER a CA 1 ? ? +27282 ATOM C C A SER U 1 211 ? 28.685 -3.034 17.731 0.40 59.56 ? 221 SER a C 1 ? ? +27283 ATOM C C B SER U 1 211 ? 28.685 -3.033 17.632 0.60 60.64 ? 221 SER a C 1 ? ? +27284 ATOM O O A SER U 1 211 ? 29.855 -3.328 17.983 0.40 60.07 ? 221 SER a O 1 ? ? +27285 ATOM O O B SER U 1 211 ? 29.872 -3.203 17.922 0.60 61.26 ? 221 SER a O 1 ? ? +27286 ATOM C CB A SER U 1 211 ? 28.679 -0.962 16.374 0.40 58.62 ? 221 SER a CB 1 ? ? +27287 ATOM C CB B SER U 1 211 ? 28.754 -1.203 15.909 0.60 59.30 ? 221 SER a CB 1 ? ? +27288 ATOM O OG A SER U 1 211 ? 28.346 -0.390 17.626 0.40 59.16 ? 221 SER a OG 1 ? ? +27289 ATOM O OG B SER U 1 211 ? 28.189 -0.270 16.807 0.60 59.76 ? 221 SER a OG 1 ? ? +27290 ATOM N N A SER U 1 212 ? 27.680 -3.205 18.600 0.40 60.07 ? 222 SER a N 1 ? ? +27291 ATOM N N B SER U 1 212 ? 27.685 -3.209 18.508 0.60 61.23 ? 222 SER a N 1 ? ? +27292 ATOM C CA A SER U 1 212 ? 27.926 -3.649 19.962 0.40 61.16 ? 222 SER a CA 1 ? ? +27293 ATOM C CA B SER U 1 212 ? 27.942 -3.585 19.891 0.60 62.47 ? 222 SER a CA 1 ? ? +27294 ATOM C C A SER U 1 212 ? 27.264 -4.983 20.297 0.40 61.47 ? 222 SER a C 1 ? ? +27295 ATOM C C B SER U 1 212 ? 27.314 -4.919 20.289 0.60 62.81 ? 222 SER a C 1 ? ? +27296 ATOM O O A SER U 1 212 ? 26.976 -5.264 21.457 0.40 61.73 ? 222 SER a O 1 ? ? +27297 ATOM O O B SER U 1 212 ? 27.071 -5.169 21.467 0.60 62.98 ? 222 SER a O 1 ? ? +27298 ATOM C CB A SER U 1 212 ? 27.484 -2.575 20.952 0.40 61.69 ? 222 SER a CB 1 ? ? +27299 ATOM C CB B SER U 1 212 ? 27.485 -2.469 20.826 0.60 63.13 ? 222 SER a CB 1 ? ? +27300 ATOM O OG A SER U 1 212 ? 26.136 -2.196 20.735 0.40 61.53 ? 222 SER a OG 1 ? ? +27301 ATOM O OG B SER U 1 212 ? 26.141 -2.096 20.579 0.60 63.29 ? 222 SER a OG 1 ? ? +27302 ATOM N N A LEU U 1 213 ? 27.046 -5.809 19.269 0.40 61.66 ? 223 LEU a N 1 ? ? +27303 ATOM N N B LEU U 1 213 ? 27.079 -5.780 19.292 0.60 63.21 ? 223 LEU a N 1 ? ? +27304 ATOM C CA A LEU U 1 213 ? 26.574 -7.169 19.469 0.40 62.12 ? 223 LEU a CA 1 ? ? +27305 ATOM C CA B LEU U 1 213 ? 26.636 -7.144 19.532 0.60 63.75 ? 223 LEU a CA 1 ? ? +27306 ATOM C C A LEU U 1 213 ? 27.632 -7.947 20.244 0.40 63.37 ? 223 LEU a C 1 ? ? +27307 ATOM C C B LEU U 1 213 ? 27.701 -7.916 20.303 0.60 65.15 ? 223 LEU a C 1 ? ? +27308 ATOM O O A LEU U 1 213 ? 28.811 -7.908 19.898 0.40 63.53 ? 223 LEU a O 1 ? ? +27309 ATOM O O B LEU U 1 213 ? 28.890 -7.808 20.000 0.60 65.36 ? 223 LEU a O 1 ? ? +27310 ATOM C CB A LEU U 1 213 ? 26.317 -7.880 18.142 0.40 61.43 ? 223 LEU a CB 1 ? ? +27311 ATOM C CB B LEU U 1 213 ? 26.383 -7.875 18.215 0.60 63.01 ? 223 LEU a CB 1 ? ? +27312 ATOM C CG A LEU U 1 213 ? 25.240 -7.303 17.264 0.40 60.77 ? 223 LEU a CG 1 ? ? +27313 ATOM C CG B LEU U 1 213 ? 25.276 -7.349 17.360 0.60 62.29 ? 223 LEU a CG 1 ? ? +27314 ATOM C CD1 A LEU U 1 213 ? 25.031 -8.180 16.050 0.40 60.23 ? 223 LEU a CD1 1 ? ? +27315 ATOM C CD1 B LEU U 1 213 ? 25.160 -8.177 16.093 0.60 61.71 ? 223 LEU a CD1 1 ? ? +27316 ATOM C CD2 A LEU U 1 213 ? 23.942 -7.130 18.026 0.40 60.84 ? 223 LEU a CD2 1 ? ? +27317 ATOM C CD2 B LEU U 1 213 ? 23.965 -7.336 18.120 0.60 62.36 ? 223 LEU a CD2 1 ? ? +27318 ATOM N N A ILE U 1 214 ? 27.190 -8.654 21.286 0.40 64.42 ? 224 ILE a N 1 ? ? +27319 ATOM N N B ILE U 1 214 ? 27.247 -8.701 21.286 0.60 66.26 ? 224 ILE a N 1 ? ? +27320 ATOM C CA A ILE U 1 214 ? 28.077 -9.489 22.076 0.40 65.64 ? 224 ILE a CA 1 ? ? +27321 ATOM C CA B ILE U 1 214 ? 28.123 -9.539 22.085 0.60 67.58 ? 224 ILE a CA 1 ? ? +27322 ATOM C C A ILE U 1 214 ? 28.464 -10.718 21.258 0.40 66.07 ? 224 ILE a C 1 ? ? +27323 ATOM C C B ILE U 1 214 ? 28.495 -10.762 21.251 0.60 68.00 ? 224 ILE a C 1 ? ? +27324 ATOM O O A ILE U 1 214 ? 27.628 -11.297 20.567 0.40 65.45 ? 224 ILE a O 1 ? ? +27325 ATOM O O B ILE U 1 214 ? 27.651 -11.304 20.538 0.60 67.27 ? 224 ILE a O 1 ? ? +27326 ATOM C CB A ILE U 1 214 ? 27.393 -9.845 23.413 0.40 66.12 ? 224 ILE a CB 1 ? ? +27327 ATOM C CB B ILE U 1 214 ? 27.428 -9.898 23.424 0.60 68.14 ? 224 ILE a CB 1 ? ? +27328 ATOM C CG1 A ILE U 1 214 ? 27.110 -8.576 24.238 0.40 66.46 ? 224 ILE a CG1 1 ? ? +27329 ATOM C CG1 B ILE U 1 214 ? 27.126 -8.629 24.247 0.60 68.49 ? 224 ILE a CG1 1 ? ? +27330 ATOM C CG2 A ILE U 1 214 ? 28.220 -10.847 24.204 0.40 66.71 ? 224 ILE a CG2 1 ? ? +27331 ATOM C CG2 B ILE U 1 214 ? 28.244 -10.893 24.241 0.60 68.79 ? 224 ILE a CG2 1 ? ? +27332 ATOM C CD1 A ILE U 1 214 ? 25.939 -8.706 25.197 0.40 66.61 ? 224 ILE a CD1 1 ? ? +27333 ATOM C CD1 B ILE U 1 214 ? 25.983 -8.793 25.265 0.60 68.65 ? 224 ILE a CD1 1 ? ? +27334 ATOM N N A ARG U 1 215 ? 29.749 -11.088 21.323 0.40 67.42 ? 225 ARG a N 1 ? ? +27335 ATOM N N B ARG U 1 215 ? 29.771 -11.163 21.331 0.60 69.49 ? 225 ARG a N 1 ? ? +27336 ATOM C CA A ARG U 1 215 ? 30.266 -12.223 20.576 0.40 68.02 ? 225 ARG a CA 1 ? ? +27337 ATOM C CA B ARG U 1 215 ? 30.289 -12.299 20.583 0.60 70.17 ? 225 ARG a CA 1 ? ? +27338 ATOM C C A ARG U 1 215 ? 29.672 -13.529 21.098 0.40 68.80 ? 225 ARG a C 1 ? ? +27339 ATOM C C B ARG U 1 215 ? 29.699 -13.605 21.111 0.60 70.69 ? 225 ARG a C 1 ? ? +27340 ATOM O O A ARG U 1 215 ? 29.967 -13.949 22.215 0.40 69.60 ? 225 ARG a O 1 ? ? +27341 ATOM O O B ARG U 1 215 ? 30.040 -14.046 22.207 0.60 71.58 ? 225 ARG a O 1 ? ? +27342 ATOM C CB A ARG U 1 215 ? 31.800 -12.268 20.658 0.40 68.68 ? 225 ARG a CB 1 ? ? +27343 ATOM C CB B ARG U 1 215 ? 31.836 -12.336 20.655 0.60 71.06 ? 225 ARG a CB 1 ? ? +27344 ATOM C CG A ARG U 1 215 ? 32.420 -13.443 19.916 0.40 68.79 ? 225 ARG a CG 1 ? ? +27345 ATOM C CG B ARG U 1 215 ? 32.469 -13.511 19.909 0.60 71.50 ? 225 ARG a CG 1 ? ? +27346 ATOM C CD A ARG U 1 215 ? 33.927 -13.300 19.783 0.40 69.48 ? 225 ARG a CD 1 ? ? +27347 ATOM C CD B ARG U 1 215 ? 33.982 -13.379 19.753 0.60 72.48 ? 225 ARG a CD 1 ? ? +27348 ATOM N NE A ARG U 1 215 ? 34.580 -13.178 21.081 0.40 70.63 ? 225 ARG a NE 1 ? ? +27349 ATOM N NE B ARG U 1 215 ? 34.649 -13.191 21.037 0.60 73.94 ? 225 ARG a NE 1 ? ? +27350 ATOM C CZ A ARG U 1 215 ? 35.233 -12.100 21.498 0.40 71.27 ? 225 ARG a CZ 1 ? ? +27351 ATOM C CZ B ARG U 1 215 ? 35.212 -12.059 21.449 0.60 74.82 ? 225 ARG a CZ 1 ? ? +27352 ATOM N NH1 A ARG U 1 215 ? 35.389 -11.040 20.719 0.40 70.86 ? 225 ARG a NH1 1 ? ? +27353 ATOM N NH1 B ARG U 1 215 ? 35.274 -10.989 20.669 0.60 74.29 ? 225 ARG a NH1 1 ? ? +27354 ATOM N NH2 A ARG U 1 215 ? 35.743 -12.086 22.727 0.40 72.27 ? 225 ARG a NH2 1 ? ? +27355 ATOM N NH2 B ARG U 1 215 ? 35.726 -11.999 22.676 0.60 76.05 ? 225 ARG a NH2 1 ? ? +27356 ATOM N N A GLU U 1 216 ? 28.831 -14.155 20.266 0.40 69.15 ? 226 GLU a N 1 ? ? +27357 ATOM N N B GLU U 1 216 ? 28.793 -14.199 20.325 0.60 70.84 ? 226 GLU a N 1 ? ? +27358 ATOM C CA A GLU U 1 216 ? 28.184 -15.417 20.594 0.40 70.01 ? 226 GLU a CA 1 ? ? +27359 ATOM C CA B GLU U 1 216 ? 28.197 -15.490 20.638 0.60 71.45 ? 226 GLU a CA 1 ? ? +27360 ATOM C C A GLU U 1 216 ? 28.418 -16.461 19.503 0.40 70.14 ? 226 GLU a C 1 ? ? +27361 ATOM C C B GLU U 1 216 ? 28.501 -16.536 19.564 0.60 71.30 ? 226 GLU a C 1 ? ? +27362 ATOM O O A GLU U 1 216 ? 27.953 -17.594 19.620 0.40 70.08 ? 226 GLU a O 1 ? ? +27363 ATOM O O B GLU U 1 216 ? 28.233 -17.719 19.772 0.60 71.09 ? 226 GLU a O 1 ? ? +27364 ATOM C CB A GLU U 1 216 ? 26.668 -15.217 20.761 0.40 70.02 ? 226 GLU a CB 1 ? ? +27365 ATOM C CB B GLU U 1 216 ? 26.664 -15.362 20.779 0.60 71.49 ? 226 GLU a CB 1 ? ? +27366 ATOM C CG A GLU U 1 216 ? 26.274 -14.279 21.885 0.40 70.74 ? 226 GLU a CG 1 ? ? +27367 ATOM C CG B GLU U 1 216 ? 26.181 -14.314 21.772 0.60 72.22 ? 226 GLU a CG 1 ? ? +27368 ATOM C CD A GLU U 1 216 ? 26.376 -14.882 23.268 0.40 71.95 ? 226 GLU a CD 1 ? ? +27369 ATOM C CD B GLU U 1 216 ? 26.376 -14.636 23.240 0.60 73.69 ? 226 GLU a CD 1 ? ? +27370 ATOM O OE1 A GLU U 1 216 ? 26.747 -16.074 23.366 0.40 72.61 ? 226 GLU a OE1 1 ? ? +27371 ATOM O OE1 B GLU U 1 216 ? 27.092 -15.613 23.556 0.60 74.72 ? 226 GLU a OE1 1 ? ? +27372 ATOM O OE2 A GLU U 1 216 ? 26.087 -14.168 24.255 0.40 72.75 ? 226 GLU a OE2 1 ? ? +27373 ATOM O OE2 B GLU U 1 216 ? 25.800 -13.906 24.079 0.60 74.45 ? 226 GLU a OE2 1 ? ? +27374 ATOM N N A THR U 1 217 ? 29.147 -16.063 18.452 0.40 70.37 ? 227 THR a N 1 ? ? +27375 ATOM N N B THR U 1 217 ? 29.077 -16.084 18.436 0.60 71.12 ? 227 THR a N 1 ? ? +27376 ATOM C CA A THR U 1 217 ? 29.297 -16.865 17.249 0.40 70.15 ? 227 THR a CA 1 ? ? +27377 ATOM C CA B THR U 1 217 ? 29.270 -16.893 17.241 0.60 70.55 ? 227 THR a CA 1 ? ? +27378 ATOM C C A THR U 1 217 ? 30.744 -16.883 16.763 0.40 70.89 ? 227 THR a C 1 ? ? +27379 ATOM C C B THR U 1 217 ? 30.717 -16.878 16.749 0.60 71.08 ? 227 THR a C 1 ? ? +27380 ATOM O O A THR U 1 217 ? 31.530 -16.011 17.126 0.40 71.36 ? 227 THR a O 1 ? ? +27381 ATOM O O B THR U 1 217 ? 31.479 -15.972 17.079 0.60 71.45 ? 227 THR a O 1 ? ? +27382 ATOM C CB A THR U 1 217 ? 28.375 -16.319 16.165 0.40 69.27 ? 227 THR a CB 1 ? ? +27383 ATOM C CB B THR U 1 217 ? 28.343 -16.379 16.136 0.60 69.57 ? 227 THR a CB 1 ? ? +27384 ATOM O OG1 A THR U 1 217 ? 28.529 -14.897 16.103 0.40 69.07 ? 227 THR a OG1 1 ? ? +27385 ATOM O OG1 B THR U 1 217 ? 28.615 -14.991 15.898 0.60 69.18 ? 227 THR a OG1 1 ? ? +27386 ATOM C CG2 A THR U 1 217 ? 26.912 -16.668 16.418 0.40 69.10 ? 227 THR a CG2 1 ? ? +27387 ATOM C CG2 B THR U 1 217 ? 26.871 -16.572 16.482 0.60 69.46 ? 227 THR a CG2 1 ? ? +27388 ATOM N N . THR U 1 218 ? 31.071 -17.890 15.944 1.00 71.40 ? 228 THR a N 1 ? ? +27389 ATOM C CA . THR U 1 218 ? 32.371 -17.985 15.292 1.00 71.89 ? 228 THR a CA 1 ? ? +27390 ATOM C CB . THR U 1 218 ? 32.741 -19.446 15.007 1.00 71.67 ? 228 THR a CB 1 ? ? +27391 ATOM O OG1 . THR U 1 218 ? 31.903 -19.941 13.952 1.00 70.64 ? 228 THR a OG1 1 ? ? +27392 ATOM C CG2 . THR U 1 218 ? 32.604 -20.345 16.235 1.00 72.18 ? 228 THR a CG2 1 ? ? +27393 ATOM C C . THR U 1 218 ? 32.308 -17.188 13.991 1.00 72.45 ? 228 THR a C 1 ? ? +27394 ATOM O O . THR U 1 218 ? 31.233 -16.740 13.599 1.00 72.89 ? 228 THR a O 1 ? ? +27395 ATOM N N . GLU U 1 219 ? 33.450 -17.038 13.309 1.00 74.35 ? 229 GLU a N 1 ? ? +27396 ATOM C CA . GLU U 1 219 ? 33.524 -16.194 12.122 1.00 75.27 ? 229 GLU a CA 1 ? ? +27397 ATOM C CB . GLU U 1 219 ? 34.986 -15.733 11.862 1.00 78.10 ? 229 GLU a CB 1 ? ? +27398 ATOM C CG . GLU U 1 219 ? 35.957 -16.792 11.357 1.00 80.76 ? 229 GLU a CG 1 ? ? +27399 ATOM C CD . GLU U 1 219 ? 37.335 -16.210 11.075 1.00 85.09 ? 229 GLU a CD 1 ? ? +27400 ATOM O OE1 . GLU U 1 219 ? 37.385 -15.186 10.357 1.00 87.67 ? 229 GLU a OE1 1 ? ? +27401 ATOM O OE2 . GLU U 1 219 ? 38.356 -16.754 11.564 1.00 87.21 ? 229 GLU a OE2 1 ? ? +27402 ATOM C C . GLU U 1 219 ? 32.941 -16.837 10.863 1.00 72.55 ? 229 GLU a C 1 ? ? +27403 ATOM O O . GLU U 1 219 ? 32.692 -16.144 9.880 1.00 71.23 ? 229 GLU a O 1 ? ? +27404 ATOM N N . THR U 1 220 ? 32.717 -18.157 10.898 1.00 71.20 ? 230 THR a N 1 ? ? +27405 ATOM C CA . THR U 1 220 ? 32.114 -18.874 9.784 1.00 69.86 ? 230 THR a CA 1 ? ? +27406 ATOM C CB . THR U 1 220 ? 32.628 -20.307 9.779 1.00 69.73 ? 230 THR a CB 1 ? ? +27407 ATOM O OG1 . THR U 1 220 ? 32.169 -20.925 10.974 1.00 70.46 ? 230 THR a OG1 1 ? ? +27408 ATOM C CG2 . THR U 1 220 ? 34.160 -20.396 9.701 1.00 70.79 ? 230 THR a CG2 1 ? ? +27409 ATOM C C . THR U 1 220 ? 30.579 -18.882 9.794 1.00 68.87 ? 230 THR a C 1 ? ? +27410 ATOM O O . THR U 1 220 ? 29.955 -19.446 8.900 1.00 68.86 ? 230 THR a O 1 ? ? +27411 ATOM N N . GLU U 1 221 ? 29.954 -18.286 10.815 1.00 67.30 ? 231 GLU a N 1 ? ? +27412 ATOM C CA . GLU U 1 221 ? 28.507 -18.321 10.917 1.00 65.70 ? 231 GLU a CA 1 ? ? +27413 ATOM C CB . GLU U 1 221 ? 28.055 -19.301 12.024 1.00 67.44 ? 231 GLU a CB 1 ? ? +27414 ATOM C CG . GLU U 1 221 ? 28.611 -19.007 13.400 1.00 69.50 ? 231 GLU a CG 1 ? ? +27415 ATOM C CD . GLU U 1 221 ? 28.280 -20.022 14.483 1.00 71.57 ? 231 GLU a CD 1 ? ? +27416 ATOM O OE1 . GLU U 1 221 ? 27.259 -20.731 14.330 1.00 73.97 ? 231 GLU a OE1 1 ? ? +27417 ATOM O OE2 . GLU U 1 221 ? 29.033 -20.109 15.484 1.00 71.51 ? 231 GLU a OE2 1 ? ? +27418 ATOM C C . GLU U 1 221 ? 27.969 -16.908 11.124 1.00 63.54 ? 231 GLU a C 1 ? ? +27419 ATOM O O . GLU U 1 221 ? 28.647 -16.065 11.706 1.00 64.07 ? 231 GLU a O 1 ? ? +27420 ATOM N N A SER U 1 222 ? 26.751 -16.671 10.624 0.40 62.10 ? 232 SER a N 1 ? ? +27421 ATOM N N B SER U 1 222 ? 26.759 -16.661 10.608 0.60 61.81 ? 232 SER a N 1 ? ? +27422 ATOM C CA A SER U 1 222 ? 26.080 -15.393 10.772 0.40 61.20 ? 232 SER a CA 1 ? ? +27423 ATOM C CA B SER U 1 222 ? 26.075 -15.391 10.784 0.60 60.81 ? 232 SER a CA 1 ? ? +27424 ATOM C C A SER U 1 222 ? 25.960 -15.016 12.244 0.40 61.14 ? 232 SER a C 1 ? ? +27425 ATOM C C B SER U 1 222 ? 26.036 -15.003 12.259 0.60 60.73 ? 232 SER a C 1 ? ? +27426 ATOM O O A SER U 1 222 ? 25.627 -15.857 13.072 0.40 61.46 ? 232 SER a O 1 ? ? +27427 ATOM O O B SER U 1 222 ? 25.860 -15.862 13.118 0.60 61.12 ? 232 SER a O 1 ? ? +27428 ATOM C CB A SER U 1 222 ? 24.692 -15.448 10.134 0.40 60.59 ? 232 SER a CB 1 ? ? +27429 ATOM C CB B SER U 1 222 ? 24.653 -15.477 10.224 0.60 60.19 ? 232 SER a CB 1 ? ? +27430 ATOM O OG A SER U 1 222 ? 23.951 -14.268 10.399 0.40 60.44 ? 232 SER a OG 1 ? ? +27431 ATOM O OG B SER U 1 222 ? 23.893 -14.318 10.524 0.60 60.01 ? 232 SER a OG 1 ? ? +27432 ATOM N N A ALA U 1 223 ? 26.237 -13.747 12.555 0.40 60.80 ? 233 ALA a N 1 ? ? +27433 ATOM N N B ALA U 1 223 ? 26.205 -13.708 12.545 0.60 60.41 ? 233 ALA a N 1 ? ? +27434 ATOM C CA A ALA U 1 223 ? 26.134 -13.251 13.917 0.40 61.18 ? 233 ALA a CA 1 ? ? +27435 ATOM C CA B ALA U 1 223 ? 26.121 -13.214 13.909 0.60 60.92 ? 233 ALA a CA 1 ? ? +27436 ATOM C C A ALA U 1 223 ? 24.692 -13.285 14.420 0.40 61.27 ? 233 ALA a C 1 ? ? +27437 ATOM C C B ALA U 1 223 ? 24.678 -13.229 14.414 0.60 61.26 ? 233 ALA a C 1 ? ? +27438 ATOM O O A ALA U 1 223 ? 24.453 -13.246 15.626 0.40 61.83 ? 233 ALA a O 1 ? ? +27439 ATOM O O B ALA U 1 223 ? 24.445 -13.234 15.622 0.60 61.68 ? 233 ALA a O 1 ? ? +27440 ATOM C CB A ALA U 1 223 ? 26.687 -11.840 14.004 0.40 61.23 ? 233 ALA a CB 1 ? ? +27441 ATOM C CB B ALA U 1 223 ? 26.698 -11.815 14.001 0.60 60.94 ? 233 ALA a CB 1 ? ? +27442 ATOM N N A ASN U 1 224 ? 23.736 -13.365 13.483 0.40 60.79 ? 234 ASN a N 1 ? ? +27443 ATOM N N B ASN U 1 224 ? 23.716 -13.243 13.479 0.60 61.08 ? 234 ASN a N 1 ? ? +27444 ATOM C CA A ASN U 1 224 ? 22.320 -13.386 13.817 0.40 60.61 ? 234 ASN a CA 1 ? ? +27445 ATOM C CA B ASN U 1 224 ? 22.299 -13.301 13.805 0.60 61.11 ? 234 ASN a CA 1 ? ? +27446 ATOM C C A ASN U 1 224 ? 21.950 -14.590 14.683 0.40 60.80 ? 234 ASN a C 1 ? ? +27447 ATOM C C B ASN U 1 224 ? 21.932 -14.516 14.658 0.60 61.48 ? 234 ASN a C 1 ? ? +27448 ATOM O O A ASN U 1 224 ? 21.059 -14.496 15.521 0.40 60.81 ? 234 ASN a O 1 ? ? +27449 ATOM O O B ASN U 1 224 ? 21.062 -14.419 15.518 0.60 61.34 ? 234 ASN a O 1 ? ? +27450 ATOM C CB A ASN U 1 224 ? 21.484 -13.356 12.538 0.40 60.07 ? 234 ASN a CB 1 ? ? +27451 ATOM C CB B ASN U 1 224 ? 21.470 -13.268 12.514 0.60 60.63 ? 234 ASN a CB 1 ? ? +27452 ATOM C CG A ASN U 1 224 ? 21.585 -12.041 11.796 0.40 59.87 ? 234 ASN a CG 1 ? ? +27453 ATOM C CG B ASN U 1 224 ? 21.598 -11.964 11.742 0.60 60.47 ? 234 ASN a CG 1 ? ? +27454 ATOM O OD1 A ASN U 1 224 ? 22.010 -11.013 12.339 0.40 60.18 ? 234 ASN a OD1 1 ? ? +27455 ATOM O OD1 B ASN U 1 224 ? 21.957 -10.908 12.280 0.60 60.75 ? 234 ASN a OD1 1 ? ? +27456 ATOM N ND2 A ASN U 1 224 ? 21.178 -12.038 10.539 0.40 59.43 ? 234 ASN a ND2 1 ? ? +27457 ATOM N ND2 B ASN U 1 224 ? 21.287 -12.002 10.458 0.60 60.10 ? 234 ASN a ND2 1 ? ? +27458 ATOM N N A TYR U 1 225 ? 22.664 -15.706 14.494 0.40 60.99 ? 235 TYR a N 1 ? ? +27459 ATOM N N B TYR U 1 225 ? 22.623 -15.644 14.443 0.60 62.11 ? 235 TYR a N 1 ? ? +27460 ATOM C CA A TYR U 1 225 ? 22.436 -16.913 15.277 0.40 61.45 ? 235 TYR a CA 1 ? ? +27461 ATOM C CA B TYR U 1 225 ? 22.431 -16.842 15.249 0.60 62.98 ? 235 TYR a CA 1 ? ? +27462 ATOM C C A TYR U 1 225 ? 22.843 -16.777 16.744 0.40 61.86 ? 235 TYR a C 1 ? ? +27463 ATOM C C B TYR U 1 225 ? 22.818 -16.692 16.723 0.60 63.30 ? 235 TYR a C 1 ? ? +27464 ATOM O O A TYR U 1 225 ? 22.577 -17.666 17.550 0.40 62.19 ? 235 TYR a O 1 ? ? +27465 ATOM O O B TYR U 1 225 ? 22.437 -17.519 17.550 0.60 63.55 ? 235 TYR a O 1 ? ? +27466 ATOM C CB A TYR U 1 225 ? 23.165 -18.100 14.618 0.40 61.78 ? 235 TYR a CB 1 ? ? +27467 ATOM C CB B TYR U 1 225 ? 23.198 -18.022 14.610 0.60 63.80 ? 235 TYR a CB 1 ? ? +27468 ATOM C CG A TYR U 1 225 ? 22.488 -18.528 13.339 0.40 61.59 ? 235 TYR a CG 1 ? ? +27469 ATOM C CG B TYR U 1 225 ? 22.531 -18.496 13.343 0.60 64.17 ? 235 TYR a CG 1 ? ? +27470 ATOM C CD1 A TYR U 1 225 ? 21.140 -18.868 13.324 0.40 61.83 ? 235 TYR a CD1 1 ? ? +27471 ATOM C CD1 B TYR U 1 225 ? 21.213 -18.940 13.352 0.60 64.98 ? 235 TYR a CD1 1 ? ? +27472 ATOM C CD2 A TYR U 1 225 ? 23.181 -18.563 12.138 0.40 61.42 ? 235 TYR a CD2 1 ? ? +27473 ATOM C CD2 B TYR U 1 225 ? 23.200 -18.467 12.127 0.60 64.30 ? 235 TYR a CD2 1 ? ? +27474 ATOM C CE1 A TYR U 1 225 ? 20.500 -19.235 12.146 0.40 61.48 ? 235 TYR a CE1 1 ? ? +27475 ATOM C CE1 B TYR U 1 225 ? 20.579 -19.349 12.184 0.60 65.02 ? 235 TYR a CE1 1 ? ? +27476 ATOM C CE2 A TYR U 1 225 ? 22.555 -18.939 10.953 0.40 61.11 ? 235 TYR a CE2 1 ? ? +27477 ATOM C CE2 B TYR U 1 225 ? 22.580 -18.884 10.951 0.60 64.36 ? 235 TYR a CE2 1 ? ? +27478 ATOM C CZ A TYR U 1 225 ? 21.211 -19.272 10.961 0.40 61.25 ? 235 TYR a CZ 1 ? ? +27479 ATOM C CZ B TYR U 1 225 ? 21.266 -19.322 10.982 0.60 64.92 ? 235 TYR a CZ 1 ? ? +27480 ATOM O OH A TYR U 1 225 ? 20.572 -19.642 9.798 0.40 61.08 ? 235 TYR a OH 1 ? ? +27481 ATOM O OH B TYR U 1 225 ? 20.633 -19.732 9.830 0.60 65.23 ? 235 TYR a OH 1 ? ? +27482 ATOM N N A GLY U 1 226 ? 23.481 -15.650 17.081 0.40 61.78 ? 236 GLY a N 1 ? ? +27483 ATOM N N B GLY U 1 226 ? 23.564 -15.629 17.051 0.60 63.23 ? 236 GLY a N 1 ? ? +27484 ATOM C CA A GLY U 1 226 ? 23.854 -15.347 18.453 0.40 62.21 ? 236 GLY a CA 1 ? ? +27485 ATOM C CA B GLY U 1 226 ? 23.896 -15.307 18.430 0.60 63.58 ? 236 GLY a CA 1 ? ? +27486 ATOM C C A GLY U 1 226 ? 22.671 -14.900 19.310 0.40 62.11 ? 236 GLY a C 1 ? ? +27487 ATOM C C B GLY U 1 226 ? 22.707 -14.865 19.280 0.60 63.41 ? 236 GLY a C 1 ? ? +27488 ATOM O O A GLY U 1 226 ? 22.766 -14.865 20.535 0.40 62.73 ? 236 GLY a O 1 ? ? +27489 ATOM O O B GLY U 1 226 ? 22.834 -14.714 20.494 0.60 64.03 ? 236 GLY a O 1 ? ? +27490 ATOM N N A TYR U 1 227 ? 21.569 -14.536 18.645 0.40 61.33 ? 237 TYR a N 1 ? ? +27491 ATOM N N B TYR U 1 227 ? 21.563 -14.633 18.625 0.60 62.61 ? 237 TYR a N 1 ? ? +27492 ATOM C CA A TYR U 1 227 ? 20.325 -14.218 19.323 0.40 61.14 ? 237 TYR a CA 1 ? ? +27493 ATOM C CA B TYR U 1 227 ? 20.315 -14.331 19.302 0.60 62.33 ? 237 TYR a CA 1 ? ? +27494 ATOM C C A TYR U 1 227 ? 19.331 -15.360 19.137 0.40 61.07 ? 237 TYR a C 1 ? ? +27495 ATOM C C B TYR U 1 227 ? 19.325 -15.473 19.097 0.60 62.45 ? 237 TYR a C 1 ? ? +27496 ATOM O O A TYR U 1 227 ? 19.183 -15.873 18.030 0.40 60.55 ? 237 TYR a O 1 ? ? +27497 ATOM O O B TYR U 1 227 ? 19.151 -15.936 17.973 0.60 61.95 ? 237 TYR a O 1 ? ? +27498 ATOM C CB A TYR U 1 227 ? 19.718 -12.910 18.788 0.40 60.54 ? 237 TYR a CB 1 ? ? +27499 ATOM C CB B TYR U 1 227 ? 19.712 -13.031 18.761 0.60 61.56 ? 237 TYR a CB 1 ? ? +27500 ATOM C CG A TYR U 1 227 ? 18.352 -12.642 19.370 0.40 60.35 ? 237 TYR a CG 1 ? ? +27501 ATOM C CG B TYR U 1 227 ? 18.369 -12.720 19.372 0.60 61.19 ? 237 TYR a CG 1 ? ? +27502 ATOM C CD1 A TYR U 1 227 ? 18.210 -12.098 20.636 0.40 60.84 ? 237 TYR a CD1 1 ? ? +27503 ATOM C CD1 B TYR U 1 227 ? 18.273 -12.202 20.654 0.60 61.64 ? 237 TYR a CD1 1 ? ? +27504 ATOM C CD2 A TYR U 1 227 ? 17.202 -12.995 18.683 0.40 59.81 ? 237 TYR a CD2 1 ? ? +27505 ATOM C CD2 B TYR U 1 227 ? 17.193 -13.002 18.696 0.60 60.49 ? 237 TYR a CD2 1 ? ? +27506 ATOM C CE1 A TYR U 1 227 ? 16.956 -11.873 21.187 0.40 60.94 ? 237 TYR a CE1 1 ? ? +27507 ATOM C CE1 B TYR U 1 227 ? 17.041 -11.936 21.234 0.60 61.71 ? 237 TYR a CE1 1 ? ? +27508 ATOM C CE2 A TYR U 1 227 ? 15.942 -12.777 19.224 0.40 59.92 ? 237 TYR a CE2 1 ? ? +27509 ATOM C CE2 B TYR U 1 227 ? 15.951 -12.740 19.266 0.60 60.61 ? 237 TYR a CE2 1 ? ? +27510 ATOM C CZ A TYR U 1 227 ? 15.822 -12.217 20.479 0.40 60.43 ? 237 TYR a CZ 1 ? ? +27511 ATOM C CZ B TYR U 1 227 ? 15.879 -12.205 20.538 0.60 61.13 ? 237 TYR a CZ 1 ? ? +27512 ATOM O OH A TYR U 1 227 ? 14.583 -11.998 21.030 0.40 60.48 ? 237 TYR a OH 1 ? ? +27513 ATOM O OH B TYR U 1 227 ? 14.674 -11.934 21.135 0.60 61.05 ? 237 TYR a OH 1 ? ? +27514 ATOM N N A LYS U 1 228 ? 18.658 -15.746 20.229 0.40 61.74 ? 238 LYS a N 1 ? ? +27515 ATOM N N B LYS U 1 228 ? 18.687 -15.913 20.189 0.60 63.39 ? 238 LYS a N 1 ? ? +27516 ATOM C CA A LYS U 1 228 ? 17.594 -16.737 20.176 0.40 61.93 ? 238 LYS a CA 1 ? ? +27517 ATOM C CA B LYS U 1 228 ? 17.603 -16.883 20.121 0.60 63.92 ? 238 LYS a CA 1 ? ? +27518 ATOM C C A LYS U 1 228 ? 16.252 -16.113 20.552 0.40 61.76 ? 238 LYS a C 1 ? ? +27519 ATOM C C B LYS U 1 228 ? 16.273 -16.211 20.462 0.60 63.59 ? 238 LYS a C 1 ? ? +27520 ATOM O O A LYS U 1 228 ? 16.121 -15.496 21.609 0.40 62.05 ? 238 LYS a O 1 ? ? +27521 ATOM O O B LYS U 1 228 ? 16.141 -15.603 21.523 0.60 63.76 ? 238 LYS a O 1 ? ? +27522 ATOM C CB A LYS U 1 228 ? 17.865 -17.913 21.129 0.40 62.87 ? 238 LYS a CB 1 ? ? +27523 ATOM C CB B LYS U 1 228 ? 17.812 -18.057 21.096 0.60 65.26 ? 238 LYS a CB 1 ? ? +27524 ATOM C CG A LYS U 1 228 ? 19.296 -18.404 21.167 0.40 63.47 ? 238 LYS a CG 1 ? ? +27525 ATOM C CG B LYS U 1 228 ? 19.219 -18.607 21.188 0.60 66.24 ? 238 LYS a CG 1 ? ? +27526 ATOM C CD A LYS U 1 228 ? 19.769 -19.053 19.876 0.40 63.30 ? 238 LYS a CD 1 ? ? +27527 ATOM C CD B LYS U 1 228 ? 19.708 -19.317 19.949 0.60 66.47 ? 238 LYS a CD 1 ? ? +27528 ATOM C CE A LYS U 1 228 ? 21.223 -19.493 19.973 0.40 63.91 ? 238 LYS a CE 1 ? ? +27529 ATOM C CE B LYS U 1 228 ? 21.179 -19.706 20.128 0.60 67.52 ? 238 LYS a CE 1 ? ? +27530 ATOM N NZ A LYS U 1 228 ? 21.683 -20.138 18.712 0.40 63.56 ? 238 LYS a NZ 1 ? ? +27531 ATOM N NZ B LYS U 1 228 ? 21.720 -20.429 18.945 0.60 67.40 ? 238 LYS a NZ 1 ? ? +27532 ATOM N N A PHE U 1 229 ? 15.254 -16.298 19.681 0.40 61.27 ? 239 PHE a N 1 ? ? +27533 ATOM N N B PHE U 1 229 ? 15.284 -16.348 19.572 0.60 63.02 ? 239 PHE a N 1 ? ? +27534 ATOM C CA A PHE U 1 229 ? 13.927 -15.746 19.896 0.40 61.39 ? 239 PHE a CA 1 ? ? +27535 ATOM C CA B PHE U 1 229 ? 13.967 -15.775 19.796 0.60 63.24 ? 239 PHE a CA 1 ? ? +27536 ATOM C C A PHE U 1 229 ? 13.405 -16.056 21.296 0.40 62.37 ? 239 PHE a C 1 ? ? +27537 ATOM C C B PHE U 1 229 ? 13.469 -16.058 21.212 0.60 64.30 ? 239 PHE a C 1 ? ? +27538 ATOM O O A PHE U 1 229 ? 13.336 -17.216 21.696 0.40 62.60 ? 239 PHE a O 1 ? ? +27539 ATOM O O B PHE U 1 229 ? 13.364 -17.213 21.617 0.60 64.48 ? 239 PHE a O 1 ? ? +27540 ATOM C CB A PHE U 1 229 ? 12.952 -16.287 18.847 0.40 60.77 ? 239 PHE a CB 1 ? ? +27541 ATOM C CB B PHE U 1 229 ? 12.965 -16.318 18.771 0.60 62.64 ? 239 PHE a CB 1 ? ? +27542 ATOM C CG A PHE U 1 229 ? 11.551 -15.751 18.985 0.40 60.69 ? 239 PHE a CG 1 ? ? +27543 ATOM C CG B PHE U 1 229 ? 11.563 -15.776 18.920 0.60 62.64 ? 239 PHE a CG 1 ? ? +27544 ATOM C CD1 A PHE U 1 229 ? 11.300 -14.394 18.899 0.40 60.49 ? 239 PHE a CD1 1 ? ? +27545 ATOM C CD1 B PHE U 1 229 ? 11.298 -14.429 18.736 0.60 62.36 ? 239 PHE a CD1 1 ? ? +27546 ATOM C CD2 A PHE U 1 229 ? 10.483 -16.605 19.204 0.40 60.82 ? 239 PHE a CD2 1 ? ? +27547 ATOM C CD2 B PHE U 1 229 ? 10.507 -16.616 19.246 0.60 62.90 ? 239 PHE a CD2 1 ? ? +27548 ATOM C CE1 A PHE U 1 229 ? 10.007 -13.904 19.019 0.40 60.45 ? 239 PHE a CE1 1 ? ? +27549 ATOM C CE1 B PHE U 1 229 ? 10.004 -13.935 18.868 0.60 62.30 ? 239 PHE a CE1 1 ? ? +27550 ATOM C CE2 A PHE U 1 229 ? 9.193 -16.110 19.328 0.40 60.77 ? 239 PHE a CE2 1 ? ? +27551 ATOM C CE2 B PHE U 1 229 ? 9.217 -16.117 19.384 0.60 62.81 ? 239 PHE a CE2 1 ? ? +27552 ATOM C CZ A PHE U 1 229 ? 8.963 -14.764 19.236 0.40 60.58 ? 239 PHE a CZ 1 ? ? +27553 ATOM C CZ B PHE U 1 229 ? 8.973 -14.782 19.192 0.60 62.49 ? 239 PHE a CZ 1 ? ? +27554 ATOM N N A GLY U 1 230 ? 13.063 -14.996 22.038 0.40 63.14 ? 240 GLY a N 1 ? ? +27555 ATOM N N B GLY U 1 230 ? 13.205 -14.983 21.966 0.60 65.24 ? 240 GLY a N 1 ? ? +27556 ATOM C CA A GLY U 1 230 ? 12.481 -15.130 23.362 0.40 64.31 ? 240 GLY a CA 1 ? ? +27557 ATOM C CA B GLY U 1 230 ? 12.613 -15.083 23.289 0.60 66.59 ? 240 GLY a CA 1 ? ? +27558 ATOM C C A GLY U 1 230 ? 13.475 -15.185 24.521 0.40 65.58 ? 240 GLY a C 1 ? ? +27559 ATOM C C B GLY U 1 230 ? 13.586 -15.092 24.466 0.60 68.22 ? 240 GLY a C 1 ? ? +27560 ATOM O O A GLY U 1 230 ? 13.069 -15.337 25.671 0.40 66.12 ? 240 GLY a O 1 ? ? +27561 ATOM O O B GLY U 1 230 ? 13.153 -15.073 25.616 0.60 68.62 ? 240 GLY a O 1 ? ? +27562 ATOM N N A GLN U 1 231 ? 14.774 -15.052 24.224 0.40 66.34 ? 241 GLN a N 1 ? ? +27563 ATOM N N B GLN U 1 231 ? 14.896 -15.120 24.188 0.60 69.54 ? 241 GLN a N 1 ? ? +27564 ATOM C CA A GLN U 1 231 ? 15.790 -15.074 25.264 0.40 67.63 ? 241 GLN a CA 1 ? ? +27565 ATOM C CA B GLN U 1 231 ? 15.882 -15.113 25.257 0.60 71.34 ? 241 GLN a CA 1 ? ? +27566 ATOM C C A GLN U 1 231 ? 15.627 -13.852 26.165 0.40 69.03 ? 241 GLN a C 1 ? ? +27567 ATOM C C B GLN U 1 231 ? 15.680 -13.874 26.126 0.60 73.59 ? 241 GLN a C 1 ? ? +27568 ATOM O O A GLN U 1 231 ? 15.235 -12.782 25.704 0.40 68.64 ? 241 GLN a O 1 ? ? +27569 ATOM O O B GLN U 1 231 ? 15.292 -12.818 25.626 0.60 73.11 ? 241 GLN a O 1 ? ? +27570 ATOM C CB A GLN U 1 231 ? 17.205 -15.125 24.677 0.40 67.27 ? 241 GLN a CB 1 ? ? +27571 ATOM C CB B GLN U 1 231 ? 17.314 -15.171 24.714 0.60 70.80 ? 241 GLN a CB 1 ? ? +27572 ATOM C CG A GLN U 1 231 ? 17.636 -13.841 23.988 0.40 66.80 ? 241 GLN a CG 1 ? ? +27573 ATOM C CG B GLN U 1 231 ? 17.742 -13.930 23.943 0.60 70.22 ? 241 GLN a CG 1 ? ? +27574 ATOM C CD A GLN U 1 231 ? 19.079 -13.885 23.543 0.40 66.52 ? 241 GLN a CD 1 ? ? +27575 ATOM C CD B GLN U 1 231 ? 19.182 -14.015 23.497 0.60 69.65 ? 241 GLN a CD 1 ? ? +27576 ATOM O OE1 A GLN U 1 231 ? 19.497 -14.765 22.784 0.40 66.06 ? 241 GLN a OE1 1 ? ? +27577 ATOM O OE1 B GLN U 1 231 ? 19.568 -14.902 22.728 0.60 68.96 ? 241 GLN a OE1 1 ? ? +27578 ATOM N NE2 A GLN U 1 231 ? 19.867 -12.928 24.010 0.40 66.67 ? 241 GLN a NE2 1 ? ? +27579 ATOM N NE2 B GLN U 1 231 ? 20.006 -13.094 23.972 0.60 69.70 ? 241 GLN a NE2 1 ? ? +27580 ATOM N N A GLU U 1 232 ? 15.932 -14.032 27.457 0.40 71.22 ? 242 GLU a N 1 ? ? +27581 ATOM N N B GLU U 1 232 ? 15.930 -14.031 27.433 0.60 77.22 ? 242 GLU a N 1 ? ? +27582 ATOM C CA A GLU U 1 232 ? 15.676 -13.010 28.460 0.40 72.78 ? 242 GLU a CA 1 ? ? +27583 ATOM C CA B GLU U 1 232 ? 15.695 -12.978 28.409 0.60 79.86 ? 242 GLU a CA 1 ? ? +27584 ATOM C C A GLU U 1 232 ? 16.707 -11.887 28.422 0.40 72.86 ? 242 GLU a C 1 ? ? +27585 ATOM C C B GLU U 1 232 ? 16.766 -11.894 28.359 0.60 80.09 ? 242 GLU a C 1 ? ? +27586 ATOM O O A GLU U 1 232 ? 16.375 -10.734 28.683 0.40 73.07 ? 242 GLU a O 1 ? ? +27587 ATOM O O B GLU U 1 232 ? 16.474 -10.723 28.585 0.60 80.32 ? 242 GLU a O 1 ? ? +27588 ATOM C CB A GLU U 1 232 ? 15.636 -13.622 29.868 0.40 74.62 ? 242 GLU a CB 1 ? ? +27589 ATOM C CB B GLU U 1 232 ? 15.649 -13.546 29.838 0.60 82.70 ? 242 GLU a CB 1 ? ? +27590 ATOM C CG A GLU U 1 232 ? 14.377 -14.438 30.125 0.40 75.74 ? 242 GLU a CG 1 ? ? +27591 ATOM C CG B GLU U 1 232 ? 14.443 -14.419 30.142 0.60 84.94 ? 242 GLU a CG 1 ? ? +27592 ATOM C CD A GLU U 1 232 ? 13.895 -14.399 31.562 0.40 77.80 ? 242 GLU a CD 1 ? ? +27593 ATOM C CD B GLU U 1 232 ? 14.098 -14.468 31.620 0.60 88.48 ? 242 GLU a CD 1 ? ? +27594 ATOM O OE1 A GLU U 1 232 ? 14.044 -13.328 32.197 0.40 78.98 ? 242 GLU a OE1 1 ? ? +27595 ATOM O OE1 B GLU U 1 232 ? 13.344 -13.579 32.088 0.60 90.05 ? 242 GLU a OE1 1 ? ? +27596 ATOM O OE2 A GLU U 1 232 ? 13.335 -15.415 32.041 0.40 78.88 ? 242 GLU a OE2 1 ? ? +27597 ATOM O OE2 B GLU U 1 232 ? 14.622 -15.368 32.321 0.60 90.14 ? 242 GLU a OE2 1 ? ? +27598 ATOM N N A GLU U 1 233 ? 17.955 -12.239 28.100 0.40 73.06 ? 243 GLU a N 1 ? ? +27599 ATOM N N B GLU U 1 233 ? 18.008 -12.297 28.081 0.60 80.84 ? 243 GLU a N 1 ? ? +27600 ATOM C CA A GLU U 1 233 ? 19.062 -11.300 28.151 0.40 73.44 ? 243 GLU a CA 1 ? ? +27601 ATOM C CA B GLU U 1 233 ? 19.139 -11.390 28.158 0.60 81.73 ? 243 GLU a CA 1 ? ? +27602 ATOM C C A GLU U 1 233 ? 19.200 -10.494 26.862 0.40 71.74 ? 243 GLU a C 1 ? ? +27603 ATOM C C B GLU U 1 233 ? 19.283 -10.576 26.875 0.60 78.90 ? 243 GLU a C 1 ? ? +27604 ATOM O O A GLU U 1 233 ? 18.943 -10.997 25.769 0.40 70.86 ? 243 GLU a O 1 ? ? +27605 ATOM O O B GLU U 1 233 ? 19.065 -11.088 25.777 0.60 77.56 ? 243 GLU a O 1 ? ? +27606 ATOM C CB A GLU U 1 233 ? 20.375 -12.047 28.429 0.40 74.79 ? 243 GLU a CB 1 ? ? +27607 ATOM C CB B GLU U 1 233 ? 20.418 -12.178 28.446 0.60 84.33 ? 243 GLU a CB 1 ? ? +27608 ATOM C CG A GLU U 1 233 ? 20.375 -12.828 29.728 0.40 76.58 ? 243 GLU a CG 1 ? ? +27609 ATOM C CG B GLU U 1 233 ? 20.334 -12.979 29.731 0.60 87.61 ? 243 GLU a CG 1 ? ? +27610 ATOM C CD A GLU U 1 233 ? 21.735 -13.382 30.117 0.40 78.44 ? 243 GLU a CD 1 ? ? +27611 ATOM C CD B GLU U 1 233 ? 21.645 -13.595 30.179 0.60 91.67 ? 243 GLU a CD 1 ? ? +27612 ATOM O OE1 A GLU U 1 233 ? 22.436 -13.930 29.233 0.40 79.37 ? 243 GLU a OE1 1 ? ? +27613 ATOM O OE1 B GLU U 1 233 ? 22.451 -13.990 29.303 0.60 94.81 ? 243 GLU a OE1 1 ? ? +27614 ATOM O OE2 A GLU U 1 233 ? 22.094 -13.282 31.314 0.40 79.63 ? 243 GLU a OE2 1 ? ? +27615 ATOM O OE2 B GLU U 1 233 ? 21.850 -13.714 31.410 0.60 93.13 ? 243 GLU a OE2 1 ? ? +27616 ATOM N N A GLU U 1 234 ? 19.622 -9.235 27.015 0.40 71.03 ? 244 GLU a N 1 ? ? +27617 ATOM N N B GLU U 1 234 ? 19.658 -9.303 27.037 0.60 77.39 ? 244 GLU a N 1 ? ? +27618 ATOM C CA A GLU U 1 234 ? 19.848 -8.355 25.884 0.40 69.83 ? 244 GLU a CA 1 ? ? +27619 ATOM C CA B GLU U 1 234 ? 19.876 -8.413 25.912 0.60 75.61 ? 244 GLU a CA 1 ? ? +27620 ATOM C C A GLU U 1 234 ? 21.036 -8.878 25.076 0.40 69.21 ? 244 GLU a C 1 ? ? +27621 ATOM C C B GLU U 1 234 ? 21.083 -8.912 25.118 0.60 74.59 ? 244 GLU a C 1 ? ? +27622 ATOM O O A GLU U 1 234 ? 21.953 -9.490 25.623 0.40 69.23 ? 244 GLU a O 1 ? ? +27623 ATOM O O B GLU U 1 234 ? 22.036 -9.444 25.686 0.60 74.05 ? 244 GLU a O 1 ? ? +27624 ATOM C CB A GLU U 1 234 ? 20.062 -6.913 26.378 0.40 70.09 ? 244 GLU a CB 1 ? ? +27625 ATOM C CB B GLU U 1 234 ? 20.053 -6.965 26.413 0.60 75.86 ? 244 GLU a CB 1 ? ? +27626 ATOM C CG A GLU U 1 234 ? 19.885 -5.849 25.313 0.40 69.50 ? 244 GLU a CG 1 ? ? +27627 ATOM C CG B GLU U 1 234 ? 19.859 -5.893 25.356 0.60 75.26 ? 244 GLU a CG 1 ? ? +27628 ATOM C CD A GLU U 1 234 ? 18.742 -6.105 24.351 0.40 68.87 ? 244 GLU a CD 1 ? ? +27629 ATOM C CD B GLU U 1 234 ? 18.617 -6.054 24.504 0.60 74.74 ? 244 GLU a CD 1 ? ? +27630 ATOM O OE1 A GLU U 1 234 ? 18.978 -6.769 23.316 0.40 68.18 ? 244 GLU a OE1 1 ? ? +27631 ATOM O OE1 B GLU U 1 234 ? 18.702 -6.743 23.461 0.60 73.82 ? 244 GLU a OE1 1 ? ? +27632 ATOM O OE2 A GLU U 1 234 ? 17.605 -5.669 24.646 0.40 69.11 ? 244 GLU a OE2 1 ? ? +27633 ATOM O OE2 B GLU U 1 234 ? 17.550 -5.526 24.899 0.60 75.25 ? 244 GLU a OE2 1 ? ? +27634 ATOM N N A THR U 1 235 ? 20.999 -8.636 23.762 0.40 68.22 ? 245 THR a N 1 ? ? +27635 ATOM N N B THR U 1 235 ? 21.018 -8.743 23.794 0.60 73.34 ? 245 THR a N 1 ? ? +27636 ATOM C CA A THR U 1 235 ? 21.922 -9.270 22.835 0.40 67.76 ? 245 THR a CA 1 ? ? +27637 ATOM C CA B THR U 1 235 ? 21.973 -9.351 22.881 0.60 72.76 ? 245 THR a CA 1 ? ? +27638 ATOM C C A THR U 1 235 ? 23.062 -8.340 22.425 0.40 67.73 ? 245 THR a C 1 ? ? +27639 ATOM C C B THR U 1 235 ? 23.100 -8.407 22.462 0.60 72.84 ? 245 THR a C 1 ? ? +27640 ATOM O O A THR U 1 235 ? 23.973 -8.750 21.709 0.40 67.39 ? 245 THR a O 1 ? ? +27641 ATOM O O B THR U 1 235 ? 23.980 -8.801 21.700 0.60 72.25 ? 245 THR a O 1 ? ? +27642 ATOM C CB A THR U 1 235 ? 21.135 -9.770 21.621 0.40 66.94 ? 245 THR a CB 1 ? ? +27643 ATOM C CB B THR U 1 235 ? 21.222 -9.878 21.651 0.60 71.81 ? 245 THR a CB 1 ? ? +27644 ATOM O OG1 A THR U 1 235 ? 21.907 -10.756 20.935 0.40 66.51 ? 245 THR a OG1 1 ? ? +27645 ATOM O OG1 B THR U 1 235 ? 22.064 -10.787 20.940 0.60 71.04 ? 245 THR a OG1 1 ? ? +27646 ATOM C CG2 A THR U 1 235 ? 20.749 -8.634 20.679 0.40 66.52 ? 245 THR a CG2 1 ? ? +27647 ATOM C CG2 B THR U 1 235 ? 20.741 -8.752 20.729 0.60 71.51 ? 245 THR a CG2 1 ? ? +27648 ATOM N N A TYR U 1 236 ? 22.998 -7.086 22.886 0.40 68.04 ? 246 TYR a N 1 ? ? +27649 ATOM N N B TYR U 1 236 ? 23.049 -7.160 22.949 0.60 73.47 ? 246 TYR a N 1 ? ? +27650 ATOM C CA A TYR U 1 236 ? 24.081 -6.137 22.692 0.40 68.28 ? 246 TYR a CA 1 ? ? +27651 ATOM C CA B TYR U 1 236 ? 24.103 -6.185 22.713 0.60 73.97 ? 246 TYR a CA 1 ? ? +27652 ATOM C C A TYR U 1 236 ? 24.356 -5.388 23.992 0.40 68.72 ? 246 TYR a C 1 ? ? +27653 ATOM C C B TYR U 1 236 ? 24.415 -5.429 24.003 0.60 74.38 ? 246 TYR a C 1 ? ? +27654 ATOM O O A TYR U 1 236 ? 23.564 -5.451 24.930 0.40 69.09 ? 246 TYR a O 1 ? ? +27655 ATOM O O B TYR U 1 236 ? 23.634 -5.464 24.952 0.60 74.84 ? 246 TYR a O 1 ? ? +27656 ATOM C CB A TYR U 1 236 ? 23.773 -5.151 21.554 0.40 67.99 ? 246 TYR a CB 1 ? ? +27657 ATOM C CB B TYR U 1 236 ? 23.721 -5.198 21.590 0.60 73.92 ? 246 TYR a CB 1 ? ? +27658 ATOM C CG A TYR U 1 236 ? 22.715 -4.115 21.869 0.40 68.41 ? 246 TYR a CG 1 ? ? +27659 ATOM C CG B TYR U 1 236 ? 22.706 -4.148 21.993 0.60 74.90 ? 246 TYR a CG 1 ? ? +27660 ATOM C CD1 A TYR U 1 236 ? 21.381 -4.472 22.002 0.40 68.38 ? 246 TYR a CD1 1 ? ? +27661 ATOM C CD1 B TYR U 1 236 ? 21.375 -4.484 22.213 0.60 75.09 ? 246 TYR a CD1 1 ? ? +27662 ATOM C CD2 A TYR U 1 236 ? 23.049 -2.777 22.027 0.40 68.86 ? 246 TYR a CD2 1 ? ? +27663 ATOM C CD2 B TYR U 1 236 ? 23.079 -2.822 22.167 0.60 75.66 ? 246 TYR a CD2 1 ? ? +27664 ATOM C CE1 A TYR U 1 236 ? 20.403 -3.523 22.280 0.40 68.53 ? 246 TYR a CE1 1 ? ? +27665 ATOM C CE1 B TYR U 1 236 ? 20.438 -3.523 22.582 0.60 75.48 ? 246 TYR a CE1 1 ? ? +27666 ATOM C CE2 A TYR U 1 236 ? 22.082 -1.821 22.316 0.40 68.97 ? 246 TYR a CE2 1 ? ? +27667 ATOM C CE2 B TYR U 1 236 ? 22.154 -1.854 22.547 0.60 75.90 ? 246 TYR a CE2 1 ? ? +27668 ATOM C CZ A TYR U 1 236 ? 20.758 -2.198 22.439 0.40 68.90 ? 246 TYR a CZ 1 ? ? +27669 ATOM C CZ B TYR U 1 236 ? 20.833 -2.208 22.753 0.60 76.06 ? 246 TYR a CZ 1 ? ? +27670 ATOM O OH A TYR U 1 236 ? 19.793 -1.256 22.712 0.40 69.29 ? 246 TYR a OH 1 ? ? +27671 ATOM O OH B TYR U 1 236 ? 19.921 -1.247 23.116 0.60 77.22 ? 246 TYR a OH 1 ? ? +27672 ATOM N N A ASN U 1 237 ? 25.493 -4.687 24.020 0.40 68.72 ? 247 ASN a N 1 ? ? +27673 ATOM N N B ASN U 1 237 ? 25.568 -4.751 24.010 0.60 74.36 ? 247 ASN a N 1 ? ? +27674 ATOM C CA A ASN U 1 237 ? 25.947 -3.958 25.192 0.40 69.17 ? 247 ASN a CA 1 ? ? +27675 ATOM C CA B ASN U 1 237 ? 26.066 -4.029 25.171 0.60 74.69 ? 247 ASN a CA 1 ? ? +27676 ATOM C C A ASN U 1 237 ? 25.708 -2.462 25.000 0.40 68.89 ? 247 ASN a C 1 ? ? +27677 ATOM C C B ASN U 1 237 ? 25.795 -2.536 24.992 0.60 74.56 ? 247 ASN a C 1 ? ? +27678 ATOM O O A ASN U 1 237 ? 26.490 -1.783 24.336 0.40 68.92 ? 247 ASN a O 1 ? ? +27679 ATOM O O B ASN U 1 237 ? 26.563 -1.838 24.330 0.60 74.68 ? 247 ASN a O 1 ? ? +27680 ATOM C CB A ASN U 1 237 ? 27.424 -4.260 25.430 0.40 69.55 ? 247 ASN a CB 1 ? ? +27681 ATOM C CB B ASN U 1 237 ? 27.568 -4.314 25.340 0.60 74.82 ? 247 ASN a CB 1 ? ? +27682 ATOM C CG A ASN U 1 237 ? 28.011 -3.567 26.624 0.40 70.37 ? 247 ASN a CG 1 ? ? +27683 ATOM C CG B ASN U 1 237 ? 28.224 -3.700 26.556 0.60 75.53 ? 247 ASN a CG 1 ? ? +27684 ATOM O OD1 A ASN U 1 237 ? 27.402 -2.675 27.219 0.40 70.75 ? 247 ASN a OD1 1 ? ? +27685 ATOM O OD1 B ASN U 1 237 ? 27.651 -2.874 27.263 0.60 76.11 ? 247 ASN a OD1 1 ? ? +27686 ATOM N ND2 A ASN U 1 237 ? 29.223 -3.952 26.991 0.40 70.79 ? 247 ASN a ND2 1 ? ? +27687 ATOM N ND2 B ASN U 1 237 ? 29.467 -4.084 26.817 0.60 75.70 ? 247 ASN a ND2 1 ? ? +27688 ATOM N N A ILE U 1 238 ? 24.611 -1.962 25.577 0.40 68.65 ? 248 ILE a N 1 ? ? +27689 ATOM N N B ILE U 1 238 ? 24.693 -2.057 25.582 0.60 74.38 ? 248 ILE a N 1 ? ? +27690 ATOM C CA A ILE U 1 238 ? 24.197 -0.586 25.360 0.40 68.41 ? 248 ILE a CA 1 ? ? +27691 ATOM C CA B ILE U 1 238 ? 24.263 -0.681 25.388 0.60 74.36 ? 248 ILE a CA 1 ? ? +27692 ATOM C C A ILE U 1 238 ? 25.203 0.399 25.952 0.40 68.77 ? 248 ILE a C 1 ? ? +27693 ATOM C C B ILE U 1 238 ? 25.265 0.310 25.981 0.60 74.76 ? 248 ILE a C 1 ? ? +27694 ATOM O O A ILE U 1 238 ? 25.350 1.510 25.448 0.40 68.65 ? 248 ILE a O 1 ? ? +27695 ATOM O O B ILE U 1 238 ? 25.423 1.415 25.467 0.60 74.57 ? 248 ILE a O 1 ? ? +27696 ATOM C CB A ILE U 1 238 ? 22.776 -0.340 25.913 0.40 68.48 ? 248 ILE a CB 1 ? ? +27697 ATOM C CB B ILE U 1 238 ? 22.824 -0.459 25.938 0.60 74.63 ? 248 ILE a CB 1 ? ? +27698 ATOM C CG1 A ILE U 1 238 ? 22.225 1.006 25.414 0.40 68.41 ? 248 ILE a CG1 1 ? ? +27699 ATOM C CG1 B ILE U 1 238 ? 22.234 0.856 25.388 0.60 74.83 ? 248 ILE a CG1 1 ? ? +27700 ATOM C CG2 A ILE U 1 238 ? 22.745 -0.433 27.431 0.40 69.22 ? 248 ILE a CG2 1 ? ? +27701 ATOM C CG2 B ILE U 1 238 ? 22.772 -0.510 27.464 0.60 75.35 ? 248 ILE a CG2 1 ? ? +27702 ATOM C CD1 A ILE U 1 238 ? 20.729 1.226 25.713 0.40 68.42 ? 248 ILE a CD1 1 ? ? +27703 ATOM C CD1 B ILE U 1 238 ? 20.768 1.083 25.712 0.60 75.07 ? 248 ILE a CD1 1 ? ? +27704 ATOM N N A VAL U 1 239 ? 25.895 -0.018 27.018 0.40 69.30 ? 249 VAL a N 1 ? ? +27705 ATOM N N B VAL U 1 239 ? 25.944 -0.093 27.061 0.60 75.58 ? 249 VAL a N 1 ? ? +27706 ATOM C CA A VAL U 1 239 ? 26.883 0.830 27.663 0.40 69.91 ? 249 VAL a CA 1 ? ? +27707 ATOM C CA B VAL U 1 239 ? 26.987 0.721 27.664 0.60 76.51 ? 249 VAL a CA 1 ? ? +27708 ATOM C C A VAL U 1 239 ? 28.055 1.083 26.718 0.40 69.62 ? 249 VAL a C 1 ? ? +27709 ATOM C C B VAL U 1 239 ? 28.148 0.923 26.692 0.60 76.49 ? 249 VAL a C 1 ? ? +27710 ATOM O O A VAL U 1 239 ? 28.580 2.192 26.671 0.40 70.08 ? 249 VAL a O 1 ? ? +27711 ATOM O O B VAL U 1 239 ? 28.723 2.008 26.629 0.60 77.30 ? 249 VAL a O 1 ? ? +27712 ATOM C CB A VAL U 1 239 ? 27.341 0.225 29.014 0.40 70.86 ? 249 VAL a CB 1 ? ? +27713 ATOM C CB B VAL U 1 239 ? 27.473 0.103 29.002 0.60 77.59 ? 249 VAL a CB 1 ? ? +27714 ATOM C CG1 A VAL U 1 239 ? 28.538 0.973 29.602 0.40 71.60 ? 249 VAL a CG1 1 ? ? +27715 ATOM C CG1 B VAL U 1 239 ? 28.704 0.827 29.540 0.60 78.29 ? 249 VAL a CG1 1 ? ? +27716 ATOM C CG2 A VAL U 1 239 ? 26.183 0.194 30.006 0.40 71.17 ? 249 VAL a CG2 1 ? ? +27717 ATOM C CG2 B VAL U 1 239 ? 26.350 0.088 30.044 0.60 78.04 ? 249 VAL a CG2 1 ? ? +27718 ATOM N N A ALA U 1 240 ? 28.449 0.047 25.966 0.40 68.94 ? 250 ALA a N 1 ? ? +27719 ATOM N N B ALA U 1 240 ? 28.486 -0.131 25.938 0.60 75.91 ? 250 ALA a N 1 ? ? +27720 ATOM C CA A ALA U 1 240 ? 29.511 0.168 24.981 0.40 68.43 ? 250 ALA a CA 1 ? ? +27721 ATOM C CA B ALA U 1 240 ? 29.530 -0.054 24.928 0.60 75.32 ? 250 ALA a CA 1 ? ? +27722 ATOM C C A ALA U 1 240 ? 29.086 1.057 23.815 0.40 67.45 ? 250 ALA a C 1 ? ? +27723 ATOM C C B ALA U 1 240 ? 29.121 0.817 23.742 0.60 74.03 ? 250 ALA a C 1 ? ? +27724 ATOM O O A ALA U 1 240 ? 29.900 1.813 23.288 0.40 67.64 ? 250 ALA a O 1 ? ? +27725 ATOM O O B ALA U 1 240 ? 29.967 1.485 23.149 0.60 74.25 ? 250 ALA a O 1 ? ? +27726 ATOM C CB A ALA U 1 240 ? 29.920 -1.206 24.471 0.40 68.19 ? 250 ALA a CB 1 ? ? +27727 ATOM C CB B ALA U 1 240 ? 29.923 -1.442 24.451 0.60 75.13 ? 250 ALA a CB 1 ? ? +27728 ATOM N N A ALA U 1 241 ? 27.812 0.951 23.416 0.40 66.28 ? 251 ALA a N 1 ? ? +27729 ATOM N N B ALA U 1 241 ? 27.826 0.791 23.398 0.60 72.26 ? 251 ALA a N 1 ? ? +27730 ATOM C CA A ALA U 1 241 ? 27.267 1.778 22.352 0.40 65.44 ? 251 ALA a CA 1 ? ? +27731 ATOM C CA B ALA U 1 241 ? 27.297 1.641 22.345 0.60 71.32 ? 251 ALA a CA 1 ? ? +27732 ATOM C C A ALA U 1 241 ? 27.243 3.248 22.763 0.40 65.52 ? 251 ALA a C 1 ? ? +27733 ATOM C C B ALA U 1 241 ? 27.309 3.109 22.762 0.60 71.31 ? 251 ALA a C 1 ? ? +27734 ATOM O O A ALA U 1 241 ? 27.619 4.123 21.985 0.40 65.49 ? 251 ALA a O 1 ? ? +27735 ATOM O O B ALA U 1 241 ? 27.709 3.970 21.981 0.60 71.38 ? 251 ALA a O 1 ? ? +27736 ATOM C CB A ALA U 1 241 ? 25.867 1.311 21.984 0.40 64.84 ? 251 ALA a CB 1 ? ? +27737 ATOM C CB B ALA U 1 241 ? 25.885 1.212 21.974 0.60 70.73 ? 251 ALA a CB 1 ? ? +27738 ATOM N N A HIS U 1 242 ? 26.782 3.500 23.993 0.40 65.66 ? 252 HIS a N 1 ? ? +27739 ATOM N N B HIS U 1 242 ? 26.859 3.377 23.995 0.60 71.36 ? 252 HIS a N 1 ? ? +27740 ATOM C CA A HIS U 1 242 ? 26.756 4.839 24.558 0.40 65.80 ? 252 HIS a CA 1 ? ? +27741 ATOM C CA B HIS U 1 242 ? 26.807 4.726 24.535 0.60 71.41 ? 252 HIS a CA 1 ? ? +27742 ATOM C C A HIS U 1 242 ? 28.173 5.389 24.704 0.40 66.05 ? 252 HIS a C 1 ? ? +27743 ATOM C C B HIS U 1 242 ? 28.207 5.318 24.668 0.60 71.29 ? 252 HIS a C 1 ? ? +27744 ATOM O O A HIS U 1 242 ? 28.419 6.569 24.473 0.40 66.14 ? 252 HIS a O 1 ? ? +27745 ATOM O O B HIS U 1 242 ? 28.419 6.491 24.380 0.60 71.43 ? 252 HIS a O 1 ? ? +27746 ATOM C CB A HIS U 1 242 ? 26.039 4.815 25.915 0.40 66.27 ? 252 HIS a CB 1 ? ? +27747 ATOM C CB B HIS U 1 242 ? 26.088 4.738 25.899 0.60 72.11 ? 252 HIS a CB 1 ? ? +27748 ATOM C CG A HIS U 1 242 ? 26.049 6.119 26.655 0.40 66.80 ? 252 HIS a CG 1 ? ? +27749 ATOM C CG B HIS U 1 242 ? 26.143 6.053 26.619 0.60 72.90 ? 252 HIS a CG 1 ? ? +27750 ATOM N ND1 A HIS U 1 242 ? 25.408 7.239 26.160 0.40 66.54 ? 252 HIS a ND1 1 ? ? +27751 ATOM N ND1 B HIS U 1 242 ? 25.570 7.192 26.087 0.60 72.83 ? 252 HIS a ND1 1 ? ? +27752 ATOM C CD2 A HIS U 1 242 ? 26.608 6.430 27.845 0.40 67.66 ? 252 HIS a CD2 1 ? ? +27753 ATOM C CD2 B HIS U 1 242 ? 26.700 6.363 27.811 0.60 73.99 ? 252 HIS a CD2 1 ? ? +27754 ATOM C CE1 A HIS U 1 242 ? 25.601 8.198 27.057 0.40 67.24 ? 252 HIS a CE1 1 ? ? +27755 ATOM C CE1 B HIS U 1 242 ? 25.795 8.160 26.967 0.60 73.75 ? 252 HIS a CE1 1 ? ? +27756 ATOM N NE2 A HIS U 1 242 ? 26.319 7.751 28.090 0.40 67.90 ? 252 HIS a NE2 1 ? ? +27757 ATOM N NE2 B HIS U 1 242 ? 26.474 7.701 28.022 0.60 74.36 ? 252 HIS a NE2 1 ? ? +27758 ATOM N N A GLY U 1 243 ? 29.100 4.513 25.098 0.40 66.14 ? 253 GLY a N 1 ? ? +27759 ATOM N N B GLY U 1 243 ? 29.157 4.496 25.118 0.60 71.17 ? 253 GLY a N 1 ? ? +27760 ATOM C CA A GLY U 1 243 ? 30.498 4.879 25.236 0.40 66.53 ? 253 GLY a CA 1 ? ? +27761 ATOM C CA B GLY U 1 243 ? 30.543 4.919 25.189 0.60 71.35 ? 253 GLY a CA 1 ? ? +27762 ATOM C C A GLY U 1 243 ? 31.105 5.314 23.906 0.40 65.95 ? 253 GLY a C 1 ? ? +27763 ATOM C C B GLY U 1 243 ? 31.068 5.367 23.829 0.60 70.23 ? 253 GLY a C 1 ? ? +27764 ATOM O O A GLY U 1 243 ? 31.953 6.202 23.870 0.40 66.43 ? 253 GLY a O 1 ? ? +27765 ATOM O O B GLY U 1 243 ? 31.798 6.350 23.738 0.60 70.67 ? 253 GLY a O 1 ? ? +27766 ATOM N N A TYR U 1 244 ? 30.661 4.673 22.820 0.40 64.90 ? 254 TYR a N 1 ? ? +27767 ATOM N N B TYR U 1 244 ? 30.677 4.646 22.773 0.60 68.55 ? 254 TYR a N 1 ? ? +27768 ATOM C CA A TYR U 1 244 ? 31.107 5.026 21.483 0.40 64.22 ? 254 TYR a CA 1 ? ? +27769 ATOM C CA B TYR U 1 244 ? 31.108 4.993 21.431 0.60 67.36 ? 254 TYR a CA 1 ? ? +27770 ATOM C C A TYR U 1 244 ? 30.500 6.358 21.057 0.40 64.34 ? 254 TYR a C 1 ? ? +27771 ATOM C C B TYR U 1 244 ? 30.497 6.329 21.017 0.60 67.88 ? 254 TYR a C 1 ? ? +27772 ATOM O O A TYR U 1 244 ? 31.223 7.304 20.743 0.40 64.67 ? 254 TYR a O 1 ? ? +27773 ATOM O O B TYR U 1 244 ? 31.221 7.266 20.677 0.60 68.30 ? 254 TYR a O 1 ? ? +27774 ATOM C CB A TYR U 1 244 ? 30.733 3.938 20.467 0.40 63.08 ? 254 TYR a CB 1 ? ? +27775 ATOM C CB B TYR U 1 244 ? 30.748 3.903 20.421 0.60 65.58 ? 254 TYR a CB 1 ? ? +27776 ATOM C CG A TYR U 1 244 ? 30.895 4.381 19.028 0.40 62.20 ? 254 TYR a CG 1 ? ? +27777 ATOM C CG B TYR U 1 244 ? 30.909 4.358 18.988 0.60 64.12 ? 254 TYR a CG 1 ? ? +27778 ATOM C CD1 A TYR U 1 244 ? 32.151 4.481 18.447 0.40 62.19 ? 254 TYR a CD1 1 ? ? +27779 ATOM C CD1 B TYR U 1 244 ? 32.169 4.536 18.429 0.60 63.81 ? 254 TYR a CD1 1 ? ? +27780 ATOM C CD2 A TYR U 1 244 ? 29.794 4.733 18.260 0.40 61.31 ? 254 TYR a CD2 1 ? ? +27781 ATOM C CD2 B TYR U 1 244 ? 29.803 4.653 18.203 0.60 62.84 ? 254 TYR a CD2 1 ? ? +27782 ATOM C CE1 A TYR U 1 244 ? 32.307 4.898 17.130 0.40 61.58 ? 254 TYR a CE1 1 ? ? +27783 ATOM C CE1 B TYR U 1 244 ? 32.323 4.968 17.116 0.60 62.96 ? 254 TYR a CE1 1 ? ? +27784 ATOM C CE2 A TYR U 1 244 ? 29.936 5.153 16.943 0.40 60.74 ? 254 TYR a CE2 1 ? ? +27785 ATOM C CE2 B TYR U 1 244 ? 29.943 5.090 16.893 0.60 62.05 ? 254 TYR a CE2 1 ? ? +27786 ATOM C CZ A TYR U 1 244 ? 31.197 5.234 16.379 0.40 60.89 ? 254 TYR a CZ 1 ? ? +27787 ATOM C CZ B TYR U 1 244 ? 31.207 5.247 16.348 0.60 62.13 ? 254 TYR a CZ 1 ? ? +27788 ATOM O OH A TYR U 1 244 ? 31.357 5.642 15.076 0.40 60.26 ? 254 TYR a OH 1 ? ? +27789 ATOM O OH B TYR U 1 244 ? 31.365 5.670 15.050 0.60 61.11 ? 254 TYR a OH 1 ? ? +27790 ATOM N N A PHE U 1 245 ? 29.163 6.416 21.065 0.40 64.16 ? 255 PHE a N 1 ? ? +27791 ATOM N N B PHE U 1 245 ? 29.162 6.405 21.081 0.60 68.01 ? 255 PHE a N 1 ? ? +27792 ATOM C CA A PHE U 1 245 ? 28.437 7.548 20.517 0.40 64.06 ? 255 PHE a CA 1 ? ? +27793 ATOM C CA B PHE U 1 245 ? 28.422 7.540 20.555 0.60 68.20 ? 255 PHE a CA 1 ? ? +27794 ATOM C C A PHE U 1 245 ? 28.643 8.828 21.321 0.40 64.69 ? 255 PHE a C 1 ? ? +27795 ATOM C C B PHE U 1 245 ? 28.615 8.836 21.340 0.60 68.71 ? 255 PHE a C 1 ? ? +27796 ATOM O O A PHE U 1 245 ? 28.656 9.920 20.759 0.40 64.52 ? 255 PHE a O 1 ? ? +27797 ATOM O O B PHE U 1 245 ? 28.608 9.917 20.761 0.60 68.38 ? 255 PHE a O 1 ? ? +27798 ATOM C CB A PHE U 1 245 ? 26.938 7.236 20.431 0.40 63.82 ? 255 PHE a CB 1 ? ? +27799 ATOM C CB B PHE U 1 245 ? 26.924 7.211 20.495 0.60 68.41 ? 255 PHE a CB 1 ? ? +27800 ATOM C CG A PHE U 1 245 ? 26.169 8.315 19.707 0.40 63.74 ? 255 PHE a CG 1 ? ? +27801 ATOM C CG B PHE U 1 245 ? 26.127 8.280 19.788 0.60 68.77 ? 255 PHE a CG 1 ? ? +27802 ATOM C CD1 A PHE U 1 245 ? 26.546 8.724 18.440 0.40 63.52 ? 255 PHE a CD1 1 ? ? +27803 ATOM C CD1 B PHE U 1 245 ? 26.493 8.720 18.526 0.60 68.76 ? 255 PHE a CD1 1 ? ? +27804 ATOM C CD2 A PHE U 1 245 ? 25.083 8.929 20.299 0.40 64.00 ? 255 PHE a CD2 1 ? ? +27805 ATOM C CD2 B PHE U 1 245 ? 25.025 8.858 20.391 0.60 69.40 ? 255 PHE a CD2 1 ? ? +27806 ATOM C CE1 A PHE U 1 245 ? 25.846 9.722 17.782 0.40 63.43 ? 255 PHE a CE1 1 ? ? +27807 ATOM C CE1 B PHE U 1 245 ? 25.768 9.714 17.882 0.60 68.99 ? 255 PHE a CE1 1 ? ? +27808 ATOM C CE2 A PHE U 1 245 ? 24.381 9.924 19.635 0.40 63.90 ? 255 PHE a CE2 1 ? ? +27809 ATOM C CE2 B PHE U 1 245 ? 24.294 9.846 19.741 0.60 69.57 ? 255 PHE a CE2 1 ? ? +27810 ATOM C CZ A PHE U 1 245 ? 24.764 10.316 18.381 0.40 63.58 ? 255 PHE a CZ 1 ? ? +27811 ATOM C CZ B PHE U 1 245 ? 24.666 10.268 18.490 0.60 69.28 ? 255 PHE a CZ 1 ? ? +27812 ATOM N N A GLY U 1 246 ? 28.779 8.682 22.640 0.40 65.55 ? 256 GLY a N 1 ? ? +27813 ATOM N N B GLY U 1 246 ? 28.762 8.723 22.661 0.60 69.79 ? 256 GLY a N 1 ? ? +27814 ATOM C CA A GLY U 1 246 ? 29.102 9.806 23.501 0.40 66.50 ? 256 GLY a CA 1 ? ? +27815 ATOM C CA B GLY U 1 246 ? 29.118 9.859 23.495 0.60 71.03 ? 256 GLY a CA 1 ? ? +27816 ATOM C C A GLY U 1 246 ? 30.417 10.487 23.120 0.40 67.16 ? 256 GLY a C 1 ? ? +27817 ATOM C C B GLY U 1 246 ? 30.477 10.479 23.162 0.60 71.97 ? 256 GLY a C 1 ? ? +27818 ATOM O O A GLY U 1 246 ? 30.512 11.714 23.119 0.40 67.52 ? 256 GLY a O 1 ? ? +27819 ATOM O O B GLY U 1 246 ? 30.636 11.697 23.217 0.60 72.55 ? 256 GLY a O 1 ? ? +27820 ATOM N N A ARG U 1 247 ? 31.435 9.685 22.792 0.40 67.36 ? 257 ARG a N 1 ? ? +27821 ATOM N N B ARG U 1 247 ? 31.467 9.647 22.823 0.60 72.04 ? 257 ARG a N 1 ? ? +27822 ATOM C CA A ARG U 1 247 ? 32.733 10.235 22.438 0.40 68.03 ? 257 ARG a CA 1 ? ? +27823 ATOM C CA B ARG U 1 247 ? 32.771 10.171 22.447 0.60 72.82 ? 257 ARG a CA 1 ? ? +27824 ATOM C C A ARG U 1 247 ? 32.740 10.750 21.001 0.40 67.48 ? 257 ARG a C 1 ? ? +27825 ATOM C C B ARG U 1 247 ? 32.782 10.681 21.007 0.60 72.31 ? 257 ARG a C 1 ? ? +27826 ATOM O O A ARG U 1 247 ? 33.524 11.635 20.666 0.40 67.99 ? 257 ARG a O 1 ? ? +27827 ATOM O O B ARG U 1 247 ? 33.595 11.540 20.669 0.60 73.07 ? 257 ARG a O 1 ? ? +27828 ATOM C CB A ARG U 1 247 ? 33.846 9.198 22.646 0.40 68.43 ? 257 ARG a CB 1 ? ? +27829 ATOM C CB B ARG U 1 247 ? 33.880 9.126 22.656 0.60 73.09 ? 257 ARG a CB 1 ? ? +27830 ATOM C CG A ARG U 1 247 ? 34.066 8.844 24.107 0.40 69.25 ? 257 ARG a CG 1 ? ? +27831 ATOM C CG B ARG U 1 247 ? 34.127 8.804 24.116 0.60 73.84 ? 257 ARG a CG 1 ? ? +27832 ATOM C CD A ARG U 1 247 ? 35.217 7.883 24.286 0.40 69.84 ? 257 ARG a CD 1 ? ? +27833 ATOM C CD B ARG U 1 247 ? 35.272 7.833 24.296 0.60 74.47 ? 257 ARG a CD 1 ? ? +27834 ATOM N NE A ARG U 1 247 ? 35.513 7.645 25.694 0.40 70.80 ? 257 ARG a NE 1 ? ? +27835 ATOM N NE B ARG U 1 247 ? 35.532 7.562 25.706 0.60 75.40 ? 257 ARG a NE 1 ? ? +27836 ATOM C CZ A ARG U 1 247 ? 34.774 6.895 26.500 0.40 70.82 ? 257 ARG a CZ 1 ? ? +27837 ATOM C CZ B ARG U 1 247 ? 34.723 6.881 26.509 0.60 75.27 ? 257 ARG a CZ 1 ? ? +27838 ATOM N NH1 A ARG U 1 247 ? 33.753 6.190 26.044 0.40 70.02 ? 257 ARG a NH1 1 ? ? +27839 ATOM N NH1 B ARG U 1 247 ? 33.659 6.246 26.044 0.60 74.35 ? 257 ARG a NH1 1 ? ? +27840 ATOM N NH2 A ARG U 1 247 ? 35.083 6.832 27.792 0.40 71.67 ? 257 ARG a NH2 1 ? ? +27841 ATOM N NH2 B ARG U 1 247 ? 35.000 6.821 27.809 0.60 76.10 ? 257 ARG a NH2 1 ? ? +27842 ATOM N N A LEU U 1 248 ? 31.859 10.197 20.161 0.40 66.65 ? 258 LEU a N 1 ? ? +27843 ATOM N N B LEU U 1 248 ? 31.888 10.148 20.165 0.60 71.38 ? 258 LEU a N 1 ? ? +27844 ATOM C CA A LEU U 1 248 ? 31.764 10.620 18.775 0.40 66.21 ? 258 LEU a CA 1 ? ? +27845 ATOM C CA B LEU U 1 248 ? 31.806 10.576 18.777 0.60 71.11 ? 258 LEU a CA 1 ? ? +27846 ATOM C C A LEU U 1 248 ? 31.299 12.070 18.695 0.40 66.66 ? 258 LEU a C 1 ? ? +27847 ATOM C C B LEU U 1 248 ? 31.315 12.017 18.677 0.60 72.14 ? 258 LEU a C 1 ? ? +27848 ATOM O O A LEU U 1 248 ? 31.797 12.844 17.880 0.40 66.58 ? 258 LEU a O 1 ? ? +27849 ATOM O O B LEU U 1 248 ? 31.742 12.760 17.796 0.60 71.82 ? 258 LEU a O 1 ? ? +27850 ATOM C CB A LEU U 1 248 ? 30.808 9.717 17.987 0.40 65.26 ? 258 LEU a CB 1 ? ? +27851 ATOM C CB B LEU U 1 248 ? 30.884 9.652 17.972 0.60 69.92 ? 258 LEU a CB 1 ? ? +27852 ATOM C CG A LEU U 1 248 ? 30.618 10.091 16.523 0.40 64.54 ? 258 LEU a CG 1 ? ? +27853 ATOM C CG B LEU U 1 248 ? 30.720 10.004 16.493 0.60 68.93 ? 258 LEU a CG 1 ? ? +27854 ATOM C CD1 A LEU U 1 248 ? 31.915 9.937 15.756 0.40 64.63 ? 258 LEU a CD1 1 ? ? +27855 ATOM C CD1 B LEU U 1 248 ? 32.031 9.868 15.744 0.60 68.95 ? 258 LEU a CD1 1 ? ? +27856 ATOM C CD2 A LEU U 1 248 ? 29.517 9.272 15.893 0.40 63.71 ? 258 LEU a CD2 1 ? ? +27857 ATOM C CD2 B LEU U 1 248 ? 29.667 9.147 15.850 0.60 68.00 ? 258 LEU a CD2 1 ? ? +27858 ATOM N N A ILE U 1 249 ? 30.332 12.423 19.545 0.40 67.48 ? 259 ILE a N 1 ? ? +27859 ATOM N N B ILE U 1 249 ? 30.406 12.394 19.581 0.60 74.17 ? 259 ILE a N 1 ? ? +27860 ATOM C CA A ILE U 1 249 ? 29.853 13.792 19.635 0.40 68.33 ? 259 ILE a CA 1 ? ? +27861 ATOM C CA B ILE U 1 249 ? 29.925 13.762 19.673 0.60 76.32 ? 259 ILE a CA 1 ? ? +27862 ATOM C C A ILE U 1 249 ? 30.361 14.397 20.943 0.40 70.03 ? 259 ILE a C 1 ? ? +27863 ATOM C C B ILE U 1 249 ? 30.467 14.346 20.981 0.60 79.44 ? 259 ILE a C 1 ? ? +27864 ATOM O O A ILE U 1 249 ? 31.457 14.951 20.997 0.40 70.63 ? 259 ILE a O 1 ? ? +27865 ATOM O O B ILE U 1 249 ? 31.636 14.715 21.057 0.60 80.90 ? 259 ILE a O 1 ? ? +27866 ATOM C CB A ILE U 1 249 ? 28.306 13.839 19.515 0.40 67.69 ? 259 ILE a CB 1 ? ? +27867 ATOM C CB B ILE U 1 249 ? 28.369 13.803 19.529 0.60 75.68 ? 259 ILE a CB 1 ? ? +27868 ATOM C CG1 A ILE U 1 249 ? 27.791 12.944 18.372 0.40 66.76 ? 259 ILE a CG1 1 ? ? +27869 ATOM C CG1 B ILE U 1 249 ? 27.846 12.891 18.394 0.60 74.48 ? 259 ILE a CG1 1 ? ? +27870 ATOM C CG2 A ILE U 1 249 ? 27.816 15.271 19.364 0.40 67.83 ? 259 ILE a CG2 1 ? ? +27871 ATOM C CG2 B ILE U 1 249 ? 27.885 15.238 19.353 0.60 76.10 ? 259 ILE a CG2 1 ? ? +27872 ATOM C CD1 A ILE U 1 249 ? 28.242 13.358 17.007 0.40 66.41 ? 259 ILE a CD1 1 ? ? +27873 ATOM C CD1 B ILE U 1 249 ? 28.294 13.262 17.019 0.60 74.09 ? 259 ILE a CD1 1 ? ? +27874 ATOM N N A PHE U 1 250 ? 29.537 14.295 21.988 0.40 71.22 ? 260 PHE a N 1 ? ? +27875 ATOM N N B PHE U 1 250 ? 29.608 14.447 22.000 0.60 81.98 ? 260 PHE a N 1 ? ? +27876 ATOM C CA A PHE U 1 250 ? 29.957 14.555 23.353 0.40 72.90 ? 260 PHE a CA 1 ? ? +27877 ATOM C CA B PHE U 1 250 ? 30.024 14.631 23.380 0.60 84.94 ? 260 PHE a CA 1 ? ? +27878 ATOM C C A PHE U 1 250 ? 28.966 13.805 24.238 0.40 73.52 ? 260 PHE a C 1 ? ? +27879 ATOM C C B PHE U 1 250 ? 29.093 13.735 24.192 0.60 86.07 ? 260 PHE a C 1 ? ? +27880 ATOM O O A PHE U 1 250 ? 27.857 13.492 23.804 0.40 72.90 ? 260 PHE a O 1 ? ? +27881 ATOM O O B PHE U 1 250 ? 28.106 13.224 23.662 0.60 84.98 ? 260 PHE a O 1 ? ? +27882 ATOM C CB A PHE U 1 250 ? 30.043 16.063 23.661 0.40 73.87 ? 260 PHE a CB 1 ? ? +27883 ATOM C CB B PHE U 1 250 ? 29.975 16.104 23.828 0.60 87.30 ? 260 PHE a CB 1 ? ? +27884 ATOM C CG A PHE U 1 250 ? 28.816 16.860 23.299 0.40 74.06 ? 260 PHE a CG 1 ? ? +27885 ATOM C CG B PHE U 1 250 ? 28.784 16.869 23.311 0.60 89.14 ? 260 PHE a CG 1 ? ? +27886 ATOM C CD2 A PHE U 1 250 ? 28.772 17.603 22.131 0.40 74.16 ? 260 PHE a CD2 1 ? ? +27887 ATOM C CD2 B PHE U 1 250 ? 27.628 16.978 24.066 0.60 90.66 ? 260 PHE a CD2 1 ? ? +27888 ATOM C CD1 A PHE U 1 250 ? 27.699 16.857 24.118 0.40 74.44 ? 260 PHE a CD1 1 ? ? +27889 ATOM C CD1 B PHE U 1 250 ? 28.806 17.448 22.051 0.60 90.45 ? 260 PHE a CD1 1 ? ? +27890 ATOM C CE2 A PHE U 1 250 ? 27.636 18.329 21.790 0.40 73.98 ? 260 PHE a CE2 1 ? ? +27891 ATOM C CE2 B PHE U 1 250 ? 26.518 17.667 23.575 0.60 91.36 ? 260 PHE a CE2 1 ? ? +27892 ATOM C CE1 A PHE U 1 250 ? 26.564 17.588 23.775 0.40 74.39 ? 260 PHE a CE1 1 ? ? +27893 ATOM C CE1 B PHE U 1 250 ? 27.695 18.139 21.562 0.60 90.71 ? 260 PHE a CE1 1 ? ? +27894 ATOM C CZ A PHE U 1 250 ? 26.540 18.317 22.611 0.40 74.06 ? 260 PHE a CZ 1 ? ? +27895 ATOM C CZ B PHE U 1 250 ? 26.560 18.244 22.325 0.60 90.91 ? 260 PHE a CZ 1 ? ? +27896 ATOM N N A GLN U 1 251 ? 29.388 13.503 25.468 0.40 75.00 ? 261 GLN a N 1 ? ? +27897 ATOM N N B GLN U 1 251 ? 29.429 13.527 25.468 0.60 88.68 ? 261 GLN a N 1 ? ? +27898 ATOM C CA A GLN U 1 251 ? 28.713 12.518 26.297 0.40 75.83 ? 261 GLN a CA 1 ? ? +27899 ATOM C CA B GLN U 1 251 ? 28.771 12.512 26.276 0.60 90.75 ? 261 GLN a CA 1 ? ? +27900 ATOM C C A GLN U 1 251 ? 27.204 12.730 26.421 0.40 76.18 ? 261 GLN a C 1 ? ? +27901 ATOM C C B GLN U 1 251 ? 27.252 12.670 26.360 0.60 92.07 ? 261 GLN a C 1 ? ? +27902 ATOM O O A GLN U 1 251 ? 26.425 11.775 26.387 0.40 75.74 ? 261 GLN a O 1 ? ? +27903 ATOM O O B GLN U 1 251 ? 26.517 11.685 26.289 0.60 91.59 ? 261 GLN a O 1 ? ? +27904 ATOM C CB A GLN U 1 251 ? 29.335 12.508 27.693 0.40 77.01 ? 261 GLN a CB 1 ? ? +27905 ATOM C CB B GLN U 1 251 ? 29.351 12.532 27.693 0.60 92.52 ? 261 GLN a CB 1 ? ? +27906 ATOM C CG A GLN U 1 251 ? 28.885 11.305 28.507 0.40 77.43 ? 261 GLN a CG 1 ? ? +27907 ATOM C CG B GLN U 1 251 ? 28.992 11.294 28.498 0.60 93.77 ? 261 GLN a CG 1 ? ? +27908 ATOM C CD A GLN U 1 251 ? 29.050 11.523 29.988 0.40 78.55 ? 261 GLN a CD 1 ? ? +27909 ATOM C CD B GLN U 1 251 ? 29.209 11.493 29.974 0.60 95.35 ? 261 GLN a CD 1 ? ? +27910 ATOM O OE1 A GLN U 1 251 ? 29.983 12.204 30.429 0.40 79.33 ? 261 GLN a OE1 1 ? ? +27911 ATOM O OE1 B GLN U 1 251 ? 30.301 11.864 30.425 0.60 96.00 ? 261 GLN a OE1 1 ? ? +27912 ATOM N NE2 A GLN U 1 251 ? 28.118 10.986 30.775 0.40 78.80 ? 261 GLN a NE2 1 ? ? +27913 ATOM N NE2 B GLN U 1 251 ? 28.163 11.255 30.758 0.60 95.97 ? 261 GLN a NE2 1 ? ? +27914 ATOM N N A TYR U 1 252 ? 26.802 13.997 26.562 0.40 76.99 ? 262 TYR a N 1 ? ? +27915 ATOM N N B TYR U 1 252 ? 26.791 13.917 26.504 0.60 93.63 ? 262 TYR a N 1 ? ? +27916 ATOM C CA A TYR U 1 252 ? 25.433 14.347 26.897 0.40 77.44 ? 262 TYR a CA 1 ? ? +27917 ATOM C CA B TYR U 1 252 ? 25.419 14.199 26.892 0.60 94.91 ? 262 TYR a CA 1 ? ? +27918 ATOM C C A TYR U 1 252 ? 24.526 14.510 25.678 0.40 76.80 ? 262 TYR a C 1 ? ? +27919 ATOM C C B TYR U 1 252 ? 24.456 14.275 25.707 0.60 93.90 ? 262 TYR a C 1 ? ? +27920 ATOM O O A TYR U 1 252 ? 23.369 14.898 25.815 0.40 76.55 ? 262 TYR a O 1 ? ? +27921 ATOM O O B TYR U 1 252 ? 23.245 14.344 25.900 0.60 92.94 ? 262 TYR a O 1 ? ? +27922 ATOM C CB A TYR U 1 252 ? 25.450 15.633 27.732 0.40 78.60 ? 262 TYR a CB 1 ? ? +27923 ATOM C CB B TYR U 1 252 ? 25.415 15.485 27.733 0.60 97.31 ? 262 TYR a CB 1 ? ? +27924 ATOM C CG A TYR U 1 252 ? 26.315 15.505 28.967 0.40 79.91 ? 262 TYR a CG 1 ? ? +27925 ATOM C CG B TYR U 1 252 ? 26.301 15.336 28.951 0.60 99.83 ? 262 TYR a CG 1 ? ? +27926 ATOM C CD2 A TYR U 1 252 ? 27.610 16.004 28.988 0.40 80.91 ? 262 TYR a CD2 1 ? ? +27927 ATOM C CD2 B TYR U 1 252 ? 25.826 14.744 30.115 0.60 100.51 ? 262 TYR a CD2 1 ? ? +27928 ATOM C CD1 A TYR U 1 252 ? 25.854 14.846 30.097 0.40 80.32 ? 262 TYR a CD1 1 ? ? +27929 ATOM C CD1 B TYR U 1 252 ? 27.626 15.753 28.928 0.60 102.07 ? 262 TYR a CD1 1 ? ? +27930 ATOM C CE2 A TYR U 1 252 ? 28.421 15.861 30.110 0.40 81.90 ? 262 TYR a CE2 1 ? ? +27931 ATOM C CE2 B TYR U 1 252 ? 26.641 14.587 31.231 0.60 102.16 ? 262 TYR a CE2 1 ? ? +27932 ATOM C CE1 A TYR U 1 252 ? 26.647 14.714 31.231 0.40 81.35 ? 262 TYR a CE1 1 ? ? +27933 ATOM C CE1 B TYR U 1 252 ? 28.456 15.590 30.032 0.60 103.63 ? 262 TYR a CE1 1 ? ? +27934 ATOM C CZ A TYR U 1 252 ? 27.931 15.225 31.234 0.40 82.26 ? 262 TYR a CZ 1 ? ? +27935 ATOM C CZ B TYR U 1 252 ? 27.959 15.009 31.186 0.60 104.07 ? 262 TYR a CZ 1 ? ? +27936 ATOM O OH A TYR U 1 252 ? 28.732 15.091 32.347 0.40 83.40 ? 262 TYR a OH 1 ? ? +27937 ATOM O OH B TYR U 1 252 ? 28.777 14.857 32.282 0.60 106.13 ? 262 TYR a OH 1 ? ? +27938 ATOM N N A ALA U 1 253 ? 25.061 14.205 24.491 0.40 76.61 ? 263 ALA a N 1 ? ? +27939 ATOM N N B ALA U 1 253 ? 25.005 14.221 24.486 0.60 93.96 ? 263 ALA a N 1 ? ? +27940 ATOM C CA A ALA U 1 253 ? 24.265 14.142 23.275 0.40 75.94 ? 263 ALA a CA 1 ? ? +27941 ATOM C CA B ALA U 1 253 ? 24.210 14.089 23.274 0.60 93.31 ? 263 ALA a CA 1 ? ? +27942 ATOM C C A ALA U 1 253 ? 23.793 12.713 23.016 0.40 75.38 ? 263 ALA a C 1 ? ? +27943 ATOM C C B ALA U 1 253 ? 23.844 12.637 22.967 0.60 92.28 ? 263 ALA a C 1 ? ? +27944 ATOM O O A ALA U 1 253 ? 23.052 12.463 22.067 0.40 75.42 ? 263 ALA a O 1 ? ? +27945 ATOM O O B ALA U 1 253 ? 23.232 12.362 21.935 0.60 93.66 ? 263 ALA a O 1 ? ? +27946 ATOM C CB A ALA U 1 253 ? 25.071 14.652 22.085 0.40 75.86 ? 263 ALA a CB 1 ? ? +27947 ATOM C CB B ALA U 1 253 ? 24.965 14.690 22.094 0.60 93.55 ? 263 ALA a CB 1 ? ? +27948 ATOM N N A SER U 1 254 ? 24.233 11.788 23.878 0.40 75.35 ? 264 SER a N 1 ? ? +27949 ATOM N N B SER U 1 254 ? 24.215 11.719 23.872 0.60 91.01 ? 264 SER a N 1 ? ? +27950 ATOM C CA A SER U 1 254 ? 24.017 10.364 23.680 0.40 74.56 ? 264 SER a CA 1 ? ? +27951 ATOM C CA B SER U 1 254 ? 24.061 10.287 23.662 0.60 89.05 ? 264 SER a CA 1 ? ? +27952 ATOM C C A SER U 1 254 ? 23.002 9.806 24.675 0.40 74.19 ? 264 SER a C 1 ? ? +27953 ATOM C C B SER U 1 254 ? 23.081 9.689 24.671 0.60 87.91 ? 264 SER a C 1 ? ? +27954 ATOM O O A SER U 1 254 ? 23.060 10.115 25.863 0.40 75.07 ? 264 SER a O 1 ? ? +27955 ATOM O O B SER U 1 254 ? 23.277 9.823 25.877 0.60 88.83 ? 264 SER a O 1 ? ? +27956 ATOM C CB A SER U 1 254 ? 25.350 9.622 23.797 0.40 74.83 ? 264 SER a CB 1 ? ? +27957 ATOM C CB B SER U 1 254 ? 25.431 9.611 23.761 0.60 88.85 ? 264 SER a CB 1 ? ? +27958 ATOM O OG A SER U 1 254 ? 25.223 8.217 23.636 0.40 74.48 ? 264 SER a OG 1 ? ? +27959 ATOM O OG B SER U 1 254 ? 25.379 8.205 23.573 0.60 87.91 ? 264 SER a OG 1 ? ? +27960 ATOM N N A PHE U 1 255 ? 22.071 8.990 24.169 0.40 73.00 ? 265 PHE a N 1 ? ? +27961 ATOM N N B PHE U 1 255 ? 22.021 9.039 24.169 0.60 85.92 ? 265 PHE a N 1 ? ? +27962 ATOM C CA A PHE U 1 255 ? 21.111 8.300 25.015 0.40 72.75 ? 265 PHE a CA 1 ? ? +27963 ATOM C CA B PHE U 1 255 ? 21.065 8.343 25.018 0.60 85.35 ? 265 PHE a CA 1 ? ? +27964 ATOM C C A PHE U 1 255 ? 21.730 7.056 25.644 0.40 72.17 ? 265 PHE a C 1 ? ? +27965 ATOM C C B PHE U 1 255 ? 21.658 7.078 25.635 0.60 83.79 ? 265 PHE a C 1 ? ? +27966 ATOM O O A PHE U 1 255 ? 22.341 6.248 24.947 0.40 72.33 ? 265 PHE a O 1 ? ? +27967 ATOM O O B PHE U 1 255 ? 22.190 6.239 24.911 0.60 84.79 ? 265 PHE a O 1 ? ? +27968 ATOM C CB A PHE U 1 255 ? 19.875 7.837 24.227 0.40 72.26 ? 265 PHE a CB 1 ? ? +27969 ATOM C CB B PHE U 1 255 ? 19.820 7.879 24.231 0.60 84.99 ? 265 PHE a CB 1 ? ? +27970 ATOM C CG A PHE U 1 255 ? 18.995 8.916 23.647 0.40 72.13 ? 265 PHE a CG 1 ? ? +27971 ATOM C CG B PHE U 1 255 ? 18.939 8.946 23.628 0.60 84.82 ? 265 PHE a CG 1 ? ? +27972 ATOM C CD2 A PHE U 1 255 ? 17.881 9.369 24.333 0.40 72.26 ? 265 PHE a CD2 1 ? ? +27973 ATOM C CD2 B PHE U 1 255 ? 19.124 9.366 22.320 0.60 84.56 ? 265 PHE a CD2 1 ? ? +27974 ATOM C CD1 A PHE U 1 255 ? 19.278 9.472 22.414 0.40 71.88 ? 265 PHE a CD1 1 ? ? +27975 ATOM C CD1 B PHE U 1 255 ? 17.873 9.470 24.340 0.60 84.68 ? 265 PHE a CD1 1 ? ? +27976 ATOM C CE2 A PHE U 1 255 ? 17.069 10.356 23.794 0.40 71.97 ? 265 PHE a CE2 1 ? ? +27977 ATOM C CE2 B PHE U 1 255 ? 18.288 10.326 21.757 0.60 83.88 ? 265 PHE a CE2 1 ? ? +27978 ATOM C CE1 A PHE U 1 255 ? 18.455 10.455 21.874 0.40 71.58 ? 265 PHE a CE1 1 ? ? +27979 ATOM C CE1 B PHE U 1 255 ? 17.045 10.434 23.775 0.60 84.13 ? 265 PHE a CE1 1 ? ? +27980 ATOM C CZ A PHE U 1 255 ? 17.362 10.894 22.572 0.40 71.55 ? 265 PHE a CZ 1 ? ? +27981 ATOM C CZ B PHE U 1 255 ? 17.256 10.854 22.488 0.60 83.56 ? 265 PHE a CZ 1 ? ? +27982 ATOM N N A ASN U 1 256 ? 21.550 6.891 26.958 0.40 71.44 ? 266 ASN a N 1 ? ? +27983 ATOM N N B ASN U 1 256 ? 21.526 6.920 26.958 0.60 81.31 ? 266 ASN a N 1 ? ? +27984 ATOM C CA A ASN U 1 256 ? 21.865 5.621 27.591 0.40 70.75 ? 266 ASN a CA 1 ? ? +27985 ATOM C CA B ASN U 1 256 ? 21.807 5.639 27.590 0.60 79.56 ? 266 ASN a CA 1 ? ? +27986 ATOM C C A ASN U 1 256 ? 20.604 4.923 28.099 0.40 69.40 ? 266 ASN a C 1 ? ? +27987 ATOM C C B ASN U 1 256 ? 20.616 5.094 28.378 0.60 76.87 ? 266 ASN a C 1 ? ? +27988 ATOM O O A ASN U 1 256 ? 20.650 3.742 28.440 0.40 69.60 ? 266 ASN a O 1 ? ? +27989 ATOM O O B ASN U 1 256 ? 20.776 4.160 29.163 0.60 77.43 ? 266 ASN a O 1 ? ? +27990 ATOM C CB A ASN U 1 256 ? 22.880 5.799 28.715 0.40 71.82 ? 266 ASN a CB 1 ? ? +27991 ATOM C CB B ASN U 1 256 ? 23.059 5.735 28.459 0.60 81.00 ? 266 ASN a CB 1 ? ? +27992 ATOM C CG A ASN U 1 256 ? 22.328 6.493 29.920 0.40 72.74 ? 266 ASN a CG 1 ? ? +27993 ATOM C CG B ASN U 1 256 ? 22.931 6.705 29.581 0.60 82.41 ? 266 ASN a CG 1 ? ? +27994 ATOM O OD1 A ASN U 1 256 ? 21.178 6.977 29.940 0.40 72.52 ? 266 ASN a OD1 1 ? ? +27995 ATOM O OD1 B ASN U 1 256 ? 22.308 7.765 29.431 0.60 83.58 ? 266 ASN a OD1 1 ? ? +27996 ATOM N ND2 A ASN U 1 256 ? 23.157 6.552 30.953 0.40 73.61 ? 266 ASN a ND2 1 ? ? +27997 ATOM N ND2 B ASN U 1 256 ? 23.500 6.353 30.731 0.60 83.12 ? 266 ASN a ND2 1 ? ? +27998 ATOM N N A ASN U 1 257 ? 19.486 5.660 28.137 0.40 67.83 ? 267 ASN a N 1 ? ? +27999 ATOM N N B ASN U 1 257 ? 19.435 5.691 28.164 0.60 73.53 ? 267 ASN a N 1 ? ? +28000 ATOM C CA A ASN U 1 257 ? 18.183 5.085 28.427 0.40 66.55 ? 267 ASN a CA 1 ? ? +28001 ATOM C CA B ASN U 1 257 ? 18.163 5.068 28.488 0.60 71.01 ? 267 ASN a CA 1 ? ? +28002 ATOM C C A ASN U 1 257 ? 17.542 4.593 27.131 0.40 64.77 ? 267 ASN a C 1 ? ? +28003 ATOM C C B ASN U 1 257 ? 17.533 4.583 27.183 0.60 68.42 ? 267 ASN a C 1 ? ? +28004 ATOM O O A ASN U 1 257 ? 17.227 5.383 26.244 0.40 64.30 ? 267 ASN a O 1 ? ? +28005 ATOM O O B ASN U 1 257 ? 17.307 5.370 26.267 0.60 67.81 ? 267 ASN a O 1 ? ? +28006 ATOM C CB A ASN U 1 257 ? 17.275 6.101 29.121 0.40 66.79 ? 267 ASN a CB 1 ? ? +28007 ATOM C CB B ASN U 1 257 ? 17.235 6.043 29.211 0.60 71.03 ? 267 ASN a CB 1 ? ? +28008 ATOM C CG A ASN U 1 257 ? 15.960 5.510 29.567 0.40 66.64 ? 267 ASN a CG 1 ? ? +28009 ATOM C CG B ASN U 1 257 ? 15.927 5.418 29.635 0.60 70.58 ? 267 ASN a CG 1 ? ? +28010 ATOM O OD1 A ASN U 1 257 ? 15.370 4.670 28.886 0.40 66.00 ? 267 ASN a OD1 1 ? ? +28011 ATOM O OD1 B ASN U 1 257 ? 15.359 4.582 28.930 0.60 69.63 ? 267 ASN a OD1 1 ? ? +28012 ATOM N ND2 A ASN U 1 257 ? 15.487 5.918 30.734 0.40 67.22 ? 267 ASN a ND2 1 ? ? +28013 ATOM N ND2 B ASN U 1 257 ? 15.432 5.791 30.802 0.60 71.06 ? 267 ASN a ND2 1 ? ? +28014 ATOM N N A SER U 1 258 ? 17.358 3.274 27.034 0.40 63.60 ? 268 SER a N 1 ? ? +28015 ATOM N N B SER U 1 258 ? 17.241 3.281 27.115 0.60 66.62 ? 268 SER a N 1 ? ? +28016 ATOM C CA A SER U 1 258 ? 16.839 2.653 25.829 0.40 62.15 ? 268 SER a CA 1 ? ? +28017 ATOM C CA B SER U 1 258 ? 16.774 2.651 25.892 0.60 64.73 ? 268 SER a CA 1 ? ? +28018 ATOM C C A SER U 1 258 ? 15.388 3.041 25.549 0.40 61.15 ? 268 SER a C 1 ? ? +28019 ATOM C C B SER U 1 258 ? 15.311 2.965 25.589 0.60 63.32 ? 268 SER a C 1 ? ? +28020 ATOM O O A SER U 1 258 ? 14.976 3.101 24.393 0.40 60.52 ? 268 SER a O 1 ? ? +28021 ATOM O O B SER U 1 258 ? 14.882 2.856 24.444 0.60 62.55 ? 268 SER a O 1 ? ? +28022 ATOM C CB A SER U 1 258 ? 16.958 1.137 25.929 0.40 62.13 ? 268 SER a CB 1 ? ? +28023 ATOM C CB B SER U 1 258 ? 16.965 1.141 25.968 0.60 64.72 ? 268 SER a CB 1 ? ? +28024 ATOM O OG A SER U 1 258 ? 16.517 0.504 24.741 0.40 61.50 ? 268 SER a OG 1 ? ? +28025 ATOM O OG B SER U 1 258 ? 16.694 0.523 24.722 0.60 64.09 ? 268 SER a OG 1 ? ? +28026 ATOM N N A ARG U 1 259 ? 14.620 3.304 26.612 0.40 60.86 ? 269 ARG a N 1 ? ? +28027 ATOM N N B ARG U 1 259 ? 14.549 3.342 26.618 0.60 62.65 ? 269 ARG a N 1 ? ? +28028 ATOM C CA A ARG U 1 259 ? 13.217 3.652 26.463 0.40 60.12 ? 269 ARG a CA 1 ? ? +28029 ATOM C CA B ARG U 1 259 ? 13.154 3.709 26.435 0.60 61.64 ? 269 ARG a CA 1 ? ? +28030 ATOM C C A ARG U 1 259 ? 13.058 5.035 25.840 0.40 59.66 ? 269 ARG a C 1 ? ? +28031 ATOM C C B ARG U 1 259 ? 13.056 5.115 25.853 0.60 61.19 ? 269 ARG a C 1 ? ? +28032 ATOM O O A ARG U 1 259 ? 12.303 5.193 24.884 0.40 59.10 ? 269 ARG a O 1 ? ? +28033 ATOM O O B ARG U 1 259 ? 12.280 5.346 24.933 0.60 60.60 ? 269 ARG a O 1 ? ? +28034 ATOM C CB A ARG U 1 259 ? 12.495 3.569 27.812 0.40 60.51 ? 269 ARG a CB 1 ? ? +28035 ATOM C CB B ARG U 1 259 ? 12.399 3.581 27.755 0.60 61.82 ? 269 ARG a CB 1 ? ? +28036 ATOM C CG A ARG U 1 259 ? 12.469 2.154 28.332 0.40 60.51 ? 269 ARG a CG 1 ? ? +28037 ATOM C CG B ARG U 1 259 ? 12.375 2.150 28.215 0.60 61.64 ? 269 ARG a CG 1 ? ? +28038 ATOM C CD A ARG U 1 259 ? 11.546 1.950 29.494 0.40 60.95 ? 269 ARG a CD 1 ? ? +28039 ATOM C CD B ARG U 1 259 ? 11.532 1.925 29.418 0.60 62.03 ? 269 ARG a CD 1 ? ? +28040 ATOM N NE A ARG U 1 259 ? 11.344 0.526 29.725 0.40 60.87 ? 269 ARG a NE 1 ? ? +28041 ATOM N NE B ARG U 1 259 ? 11.365 0.497 29.654 0.60 61.86 ? 269 ARG a NE 1 ? ? +28042 ATOM C CZ A ARG U 1 259 ? 10.464 0.019 30.574 0.40 61.20 ? 269 ARG a CZ 1 ? ? +28043 ATOM C CZ B ARG U 1 259 ? 10.492 -0.030 30.498 0.60 62.16 ? 269 ARG a CZ 1 ? ? +28044 ATOM N NH1 A ARG U 1 259 ? 9.750 0.792 31.375 0.40 61.66 ? 269 ARG a NH1 1 ? ? +28045 ATOM N NH1 B ARG U 1 259 ? 9.785 0.723 31.326 0.60 62.68 ? 269 ARG a NH1 1 ? ? +28046 ATOM N NH2 A ARG U 1 259 ? 10.294 -1.299 30.617 0.40 61.15 ? 269 ARG a NH2 1 ? ? +28047 ATOM N NH2 B ARG U 1 259 ? 10.318 -1.348 30.507 0.60 62.07 ? 269 ARG a NH2 1 ? ? +28048 ATOM N N A SER U 1 260 ? 13.787 6.022 26.373 0.40 59.84 ? 270 SER a N 1 ? ? +28049 ATOM N N B SER U 1 260 ? 13.868 6.040 26.382 0.60 61.37 ? 270 SER a N 1 ? ? +28050 ATOM C CA A SER U 1 260 ? 13.780 7.366 25.816 0.40 59.49 ? 270 SER a CA 1 ? ? +28051 ATOM C CA B SER U 1 260 ? 14.018 7.364 25.795 0.60 61.00 ? 270 SER a CA 1 ? ? +28052 ATOM C C A SER U 1 260 ? 14.312 7.376 24.385 0.40 58.64 ? 270 SER a C 1 ? ? +28053 ATOM C C B SER U 1 260 ? 14.377 7.281 24.313 0.60 60.02 ? 270 SER a C 1 ? ? +28054 ATOM O O A SER U 1 260 ? 13.816 8.115 23.537 0.40 58.32 ? 270 SER a O 1 ? ? +28055 ATOM O O B SER U 1 260 ? 13.742 7.914 23.472 0.60 59.68 ? 270 SER a O 1 ? ? +28056 ATOM C CB A SER U 1 260 ? 14.600 8.328 26.673 0.40 60.10 ? 270 SER a CB 1 ? ? +28057 ATOM C CB B SER U 1 260 ? 15.095 8.159 26.522 0.60 61.58 ? 270 SER a CB 1 ? ? +28058 ATOM O OG A SER U 1 260 ? 13.993 8.558 27.931 0.40 60.74 ? 270 SER a OG 1 ? ? +28059 ATOM O OG B SER U 1 260 ? 14.789 8.286 27.897 0.60 62.31 ? 270 SER a OG 1 ? ? +28060 ATOM N N A LEU U 1 261 ? 15.327 6.545 24.128 0.40 58.25 ? 271 LEU a N 1 ? ? +28061 ATOM N N B LEU U 1 261 ? 15.401 6.480 24.014 0.60 59.51 ? 271 LEU a N 1 ? ? +28062 ATOM C CA A LEU U 1 261 ? 15.887 6.418 22.796 0.40 57.47 ? 271 LEU a CA 1 ? ? +28063 ATOM C CA B LEU U 1 261 ? 15.893 6.326 22.658 0.60 58.68 ? 271 LEU a CA 1 ? ? +28064 ATOM C C A LEU U 1 261 ? 14.842 5.945 21.790 0.40 56.64 ? 271 LEU a C 1 ? ? +28065 ATOM C C B LEU U 1 261 ? 14.814 5.870 21.680 0.60 57.55 ? 271 LEU a C 1 ? ? +28066 ATOM O O A LEU U 1 261 ? 14.638 6.576 20.756 0.40 56.21 ? 271 LEU a O 1 ? ? +28067 ATOM O O B LEU U 1 261 ? 14.610 6.499 20.649 0.60 57.06 ? 271 LEU a O 1 ? ? +28068 ATOM C CB A LEU U 1 261 ? 17.064 5.437 22.807 0.40 57.52 ? 271 LEU a CB 1 ? ? +28069 ATOM C CB B LEU U 1 261 ? 17.048 5.317 22.653 0.60 58.96 ? 271 LEU a CB 1 ? ? +28070 ATOM C CG A LEU U 1 261 ? 17.540 4.994 21.425 0.40 56.89 ? 271 LEU a CG 1 ? ? +28071 ATOM C CG B LEU U 1 261 ? 17.547 4.886 21.281 0.60 58.57 ? 271 LEU a CG 1 ? ? +28072 ATOM C CD1 A LEU U 1 261 ? 18.108 6.159 20.638 0.40 56.76 ? 271 LEU a CD1 1 ? ? +28073 ATOM C CD1 B LEU U 1 261 ? 18.160 6.046 20.537 0.60 58.51 ? 271 LEU a CD1 1 ? ? +28074 ATOM C CD2 A LEU U 1 261 ? 18.558 3.903 21.535 0.40 57.00 ? 271 LEU a CD2 1 ? ? +28075 ATOM C CD2 B LEU U 1 261 ? 18.522 3.773 21.414 0.60 58.91 ? 271 LEU a CD2 1 ? ? +28076 ATOM N N A HIS U 1 262 ? 14.188 4.823 22.098 0.40 56.42 ? 272 HIS a N 1 ? ? +28077 ATOM N N B HIS U 1 262 ? 14.144 4.759 21.995 0.60 57.11 ? 272 HIS a N 1 ? ? +28078 ATOM C CA A HIS U 1 262 ? 13.210 4.245 21.189 0.40 55.75 ? 272 HIS a CA 1 ? ? +28079 ATOM C CA B HIS U 1 262 ? 13.163 4.189 21.084 0.60 56.27 ? 272 HIS a CA 1 ? ? +28080 ATOM C C A HIS U 1 262 ? 11.961 5.125 21.081 0.40 55.74 ? 272 HIS a C 1 ? ? +28081 ATOM C C B HIS U 1 262 ? 11.922 5.084 21.004 0.60 56.17 ? 272 HIS a C 1 ? ? +28082 ATOM O O A HIS U 1 262 ? 11.303 5.127 20.043 0.40 55.25 ? 272 HIS a O 1 ? ? +28083 ATOM O O B HIS U 1 262 ? 11.258 5.119 19.971 0.60 55.63 ? 272 HIS a O 1 ? ? +28084 ATOM C CB A HIS U 1 262 ? 12.884 2.780 21.592 0.40 55.63 ? 272 HIS a CB 1 ? ? +28085 ATOM C CB B HIS U 1 262 ? 12.848 2.711 21.459 0.60 56.08 ? 272 HIS a CB 1 ? ? +28086 ATOM C CG A HIS U 1 262 ? 13.922 1.764 21.192 0.40 55.32 ? 272 HIS a CG 1 ? ? +28087 ATOM C CG B HIS U 1 262 ? 13.925 1.724 21.086 0.60 55.73 ? 272 HIS a CG 1 ? ? +28088 ATOM N ND1 A HIS U 1 262 ? 14.893 1.331 22.085 0.40 55.68 ? 272 HIS a ND1 1 ? ? +28089 ATOM N ND1 B HIS U 1 262 ? 14.891 1.321 22.001 0.60 56.08 ? 272 HIS a ND1 1 ? ? +28090 ATOM C CD2 A HIS U 1 262 ? 14.123 1.135 20.004 0.40 54.66 ? 272 HIS a CD2 1 ? ? +28091 ATOM C CD2 B HIS U 1 262 ? 14.178 1.108 19.903 0.60 55.05 ? 272 HIS a CD2 1 ? ? +28092 ATOM C CE1 A HIS U 1 262 ? 15.643 0.449 21.431 0.40 55.37 ? 272 HIS a CE1 1 ? ? +28093 ATOM C CE1 B HIS U 1 262 ? 15.686 0.464 21.364 0.60 55.77 ? 272 HIS a CE1 1 ? ? +28094 ATOM N NE2 A HIS U 1 262 ? 15.222 0.290 20.167 0.40 54.66 ? 272 HIS a NE2 1 ? ? +28095 ATOM N NE2 B HIS U 1 262 ? 15.302 0.292 20.089 0.60 55.06 ? 272 HIS a NE2 1 ? ? +28096 ATOM N N A PHE U 1 263 ? 11.661 5.914 22.123 0.40 56.32 ? 273 PHE a N 1 ? ? +28097 ATOM N N B PHE U 1 263 ? 11.639 5.860 22.061 0.60 56.68 ? 273 PHE a N 1 ? ? +28098 ATOM C CA A PHE U 1 263 ? 10.591 6.902 22.044 0.40 56.40 ? 273 PHE a CA 1 ? ? +28099 ATOM C CA B PHE U 1 263 ? 10.597 6.877 21.985 0.60 56.72 ? 273 PHE a CA 1 ? ? +28100 ATOM C C A PHE U 1 263 ? 10.921 7.988 21.026 0.40 56.05 ? 273 PHE a C 1 ? ? +28101 ATOM C C B PHE U 1 263 ? 10.985 7.952 20.977 0.60 56.27 ? 273 PHE a C 1 ? ? +28102 ATOM O O A PHE U 1 263 ? 10.081 8.366 20.210 0.40 55.68 ? 273 PHE a O 1 ? ? +28103 ATOM O O B PHE U 1 263 ? 10.174 8.366 20.149 0.60 55.86 ? 273 PHE a O 1 ? ? +28104 ATOM C CB A PHE U 1 263 ? 10.310 7.588 23.397 0.40 57.16 ? 273 PHE a CB 1 ? ? +28105 ATOM C CB B PHE U 1 263 ? 10.316 7.571 23.334 0.60 57.51 ? 273 PHE a CB 1 ? ? +28106 ATOM C CG A PHE U 1 263 ? 9.381 8.782 23.277 0.40 57.30 ? 273 PHE a CG 1 ? ? +28107 ATOM C CG B PHE U 1 263 ? 9.382 8.762 23.200 0.60 57.66 ? 273 PHE a CG 1 ? ? +28108 ATOM C CD1 A PHE U 1 263 ? 8.079 8.628 22.834 0.40 57.06 ? 273 PHE a CD1 1 ? ? +28109 ATOM C CD1 B PHE U 1 263 ? 8.072 8.593 22.783 0.60 57.42 ? 273 PHE a CD1 1 ? ? +28110 ATOM C CD2 A PHE U 1 263 ? 9.819 10.058 23.593 0.40 57.69 ? 273 PHE a CD2 1 ? ? +28111 ATOM C CD2 B PHE U 1 263 ? 9.826 10.050 23.465 0.60 58.04 ? 273 PHE a CD2 1 ? ? +28112 ATOM C CE1 A PHE U 1 263 ? 7.230 9.727 22.717 0.40 57.20 ? 273 PHE a CE1 1 ? ? +28113 ATOM C CE1 B PHE U 1 263 ? 7.217 9.691 22.649 0.60 57.57 ? 273 PHE a CE1 1 ? ? +28114 ATOM C CE2 A PHE U 1 263 ? 8.964 11.154 23.479 0.40 57.80 ? 273 PHE a CE2 1 ? ? +28115 ATOM C CE2 B PHE U 1 263 ? 8.966 11.144 23.333 0.60 58.15 ? 273 PHE a CE2 1 ? ? +28116 ATOM C CZ A PHE U 1 263 ? 7.677 10.982 23.041 0.40 57.53 ? 273 PHE a CZ 1 ? ? +28117 ATOM C CZ B PHE U 1 263 ? 7.668 10.958 22.924 0.60 57.89 ? 273 PHE a CZ 1 ? ? +28118 ATOM N N A PHE U 1 264 ? 12.154 8.497 21.108 0.40 56.14 ? 274 PHE a N 1 ? ? +28119 ATOM N N B PHE U 1 264 ? 12.236 8.409 21.080 0.60 56.26 ? 274 PHE a N 1 ? ? +28120 ATOM C CA A PHE U 1 264 ? 12.646 9.481 20.161 0.40 55.83 ? 274 PHE a CA 1 ? ? +28121 ATOM C CA B PHE U 1 264 ? 12.751 9.411 20.168 0.60 55.91 ? 274 PHE a CA 1 ? ? +28122 ATOM C C A PHE U 1 264 ? 12.533 8.963 18.728 0.40 55.05 ? 274 PHE a C 1 ? ? +28123 ATOM C C B PHE U 1 264 ? 12.625 8.934 18.720 0.60 55.07 ? 274 PHE a C 1 ? ? +28124 ATOM O O A PHE U 1 264 ? 12.094 9.692 17.840 0.40 54.79 ? 274 PHE a O 1 ? ? +28125 ATOM O O B PHE U 1 264 ? 12.221 9.707 17.852 0.60 54.85 ? 274 PHE a O 1 ? ? +28126 ATOM C CB A PHE U 1 264 ? 14.094 9.846 20.507 0.40 56.18 ? 274 PHE a CB 1 ? ? +28127 ATOM C CB B PHE U 1 264 ? 14.199 9.761 20.537 0.60 56.25 ? 274 PHE a CB 1 ? ? +28128 ATOM C CG A PHE U 1 264 ? 14.724 10.852 19.581 0.40 56.02 ? 274 PHE a CG 1 ? ? +28129 ATOM C CG B PHE U 1 264 ? 14.797 10.792 19.621 0.60 56.06 ? 274 PHE a CG 1 ? ? +28130 ATOM C CD1 A PHE U 1 264 ? 14.425 12.197 19.689 0.40 56.25 ? 274 PHE a CD1 1 ? ? +28131 ATOM C CD1 B PHE U 1 264 ? 14.538 12.139 19.807 0.60 56.31 ? 274 PHE a CD1 1 ? ? +28132 ATOM C CD2 A PHE U 1 264 ? 15.611 10.450 18.599 0.40 55.63 ? 274 PHE a CD2 1 ? ? +28133 ATOM C CD2 B PHE U 1 264 ? 15.568 10.411 18.536 0.60 55.61 ? 274 PHE a CD2 1 ? ? +28134 ATOM C CE1 A PHE U 1 264 ? 15.007 13.119 18.839 0.40 56.14 ? 274 PHE a CE1 1 ? ? +28135 ATOM C CE1 B PHE U 1 264 ? 15.070 13.084 18.951 0.60 56.20 ? 274 PHE a CE1 1 ? ? +28136 ATOM C CE2 A PHE U 1 264 ? 16.181 11.371 17.745 0.40 55.53 ? 274 PHE a CE2 1 ? ? +28137 ATOM C CE2 B PHE U 1 264 ? 16.090 11.356 17.676 0.60 55.51 ? 274 PHE a CE2 1 ? ? +28138 ATOM C CZ A PHE U 1 264 ? 15.881 12.701 17.872 0.40 55.80 ? 274 PHE a CZ 1 ? ? +28139 ATOM C CZ B PHE U 1 264 ? 15.842 12.690 17.890 0.60 55.82 ? 274 PHE a CZ 1 ? ? +28140 ATOM N N A LEU U 1 265 ? 12.921 7.697 18.516 0.40 54.68 ? 275 LEU a N 1 ? ? +28141 ATOM N N B LEU U 1 265 ? 12.952 7.655 18.475 0.60 54.63 ? 275 LEU a N 1 ? ? +28142 ATOM C CA A LEU U 1 265 ? 12.819 7.065 17.210 0.40 53.94 ? 275 LEU a CA 1 ? ? +28143 ATOM C CA B LEU U 1 265 ? 12.801 7.051 17.158 0.60 53.85 ? 275 LEU a CA 1 ? ? +28144 ATOM C C A LEU U 1 265 ? 11.380 7.083 16.691 0.40 53.58 ? 275 LEU a C 1 ? ? +28145 ATOM C C B LEU U 1 265 ? 11.350 7.083 16.669 0.60 53.49 ? 275 LEU a C 1 ? ? +28146 ATOM O O A LEU U 1 265 ? 11.149 7.331 15.508 0.40 53.15 ? 275 LEU a O 1 ? ? +28147 ATOM O O B LEU U 1 265 ? 11.098 7.358 15.497 0.60 53.05 ? 275 LEU a O 1 ? ? +28148 ATOM C CB A LEU U 1 265 ? 13.322 5.613 17.262 0.40 53.80 ? 275 LEU a CB 1 ? ? +28149 ATOM C CB B LEU U 1 265 ? 13.301 5.590 17.162 0.60 53.66 ? 275 LEU a CB 1 ? ? +28150 ATOM C CG A LEU U 1 265 ? 14.821 5.403 17.506 0.40 54.02 ? 275 LEU a CG 1 ? ? +28151 ATOM C CG B LEU U 1 265 ? 14.788 5.338 17.467 0.60 53.90 ? 275 LEU a CG 1 ? ? +28152 ATOM C CD1 A LEU U 1 265 ? 15.190 3.934 17.412 0.40 53.82 ? 275 LEU a CD1 1 ? ? +28153 ATOM C CD1 B LEU U 1 265 ? 15.131 3.864 17.322 0.60 53.67 ? 275 LEU a CD1 1 ? ? +28154 ATOM C CD2 A LEU U 1 265 ? 15.674 6.188 16.520 0.40 53.81 ? 275 LEU a CD2 1 ? ? +28155 ATOM C CD2 B LEU U 1 265 ? 15.700 6.157 16.576 0.60 53.75 ? 275 LEU a CD2 1 ? ? +28156 ATOM N N A ALA U 1 266 ? 10.413 6.804 17.573 0.40 53.74 ? 276 ALA a N 1 ? ? +28157 ATOM N N B ALA U 1 266 ? 10.394 6.785 17.559 0.60 53.63 ? 276 ALA a N 1 ? ? +28158 ATOM C CA A ALA U 1 266 ? 9.011 6.834 17.188 0.40 53.48 ? 276 ALA a CA 1 ? ? +28159 ATOM C CA B ALA U 1 266 ? 8.987 6.824 17.190 0.60 53.37 ? 276 ALA a CA 1 ? ? +28160 ATOM C C A ALA U 1 266 ? 8.579 8.260 16.862 0.40 53.48 ? 276 ALA a C 1 ? ? +28161 ATOM C C B ALA U 1 266 ? 8.552 8.246 16.844 0.60 53.39 ? 276 ALA a C 1 ? ? +28162 ATOM O O A ALA U 1 266 ? 8.048 8.525 15.786 0.40 53.10 ? 276 ALA a O 1 ? ? +28163 ATOM O O B ALA U 1 266 ? 8.021 8.491 15.763 0.60 52.99 ? 276 ALA a O 1 ? ? +28164 ATOM C CB A ALA U 1 266 ? 8.133 6.266 18.290 0.40 53.85 ? 276 ALA a CB 1 ? ? +28165 ATOM C CB B ALA U 1 266 ? 8.119 6.281 18.309 0.60 53.75 ? 276 ALA a CB 1 ? ? +28166 ATOM N N A ALA U 1 267 ? 8.837 9.176 17.800 0.40 53.93 ? 277 ALA a N 1 ? ? +28167 ATOM N N B ALA U 1 267 ? 8.822 9.179 17.764 0.60 53.86 ? 277 ALA a N 1 ? ? +28168 ATOM C CA A ALA U 1 267 ? 8.288 10.520 17.744 0.40 54.04 ? 277 ALA a CA 1 ? ? +28169 ATOM C CA B ALA U 1 267 ? 8.272 10.522 17.706 0.60 53.98 ? 277 ALA a CA 1 ? ? +28170 ATOM C C A ALA U 1 267 ? 8.748 11.325 16.531 0.40 53.65 ? 277 ALA a C 1 ? ? +28171 ATOM C C B ALA U 1 267 ? 8.775 11.370 16.539 0.60 53.65 ? 277 ALA a C 1 ? ? +28172 ATOM O O A ALA U 1 267 ? 7.937 11.987 15.892 0.40 53.54 ? 277 ALA a O 1 ? ? +28173 ATOM O O B ALA U 1 267 ? 8.001 12.132 15.969 0.60 53.60 ? 277 ALA a O 1 ? ? +28174 ATOM C CB A ALA U 1 267 ? 8.639 11.267 19.018 0.40 54.69 ? 277 ALA a CB 1 ? ? +28175 ATOM C CB B ALA U 1 267 ? 8.552 11.243 19.013 0.60 54.65 ? 277 ALA a CB 1 ? ? +28176 ATOM N N A TRP U 1 268 ? 10.046 11.278 16.215 0.40 53.47 ? 278 TRP a N 1 ? ? +28177 ATOM N N B TRP U 1 268 ? 10.064 11.265 16.190 0.60 53.48 ? 278 TRP a N 1 ? ? +28178 ATOM C CA A TRP U 1 268 ? 10.609 12.195 15.235 0.40 53.21 ? 278 TRP a CA 1 ? ? +28179 ATOM C CA B TRP U 1 268 ? 10.640 12.161 15.195 0.60 53.24 ? 278 TRP a CA 1 ? ? +28180 ATOM C C A TRP U 1 268 ? 9.962 12.069 13.857 0.40 52.58 ? 278 TRP a C 1 ? ? +28181 ATOM C C B TRP U 1 268 ? 9.955 12.039 13.832 0.60 52.57 ? 278 TRP a C 1 ? ? +28182 ATOM O O A TRP U 1 268 ? 9.458 13.051 13.322 0.40 52.54 ? 278 TRP a O 1 ? ? +28183 ATOM O O B TRP U 1 268 ? 9.468 13.032 13.303 0.60 52.54 ? 278 TRP a O 1 ? ? +28184 ATOM C CB A TRP U 1 268 ? 12.137 12.040 15.124 0.40 53.22 ? 278 TRP a CB 1 ? ? +28185 ATOM C CB B TRP U 1 268 ? 12.188 11.996 15.073 0.60 53.31 ? 278 TRP a CB 1 ? ? +28186 ATOM C CG A TRP U 1 268 ? 12.725 12.988 14.134 0.40 53.04 ? 278 TRP a CG 1 ? ? +28187 ATOM C CG B TRP U 1 268 ? 12.791 12.968 14.104 0.60 53.21 ? 278 TRP a CG 1 ? ? +28188 ATOM C CD1 A TRP U 1 268 ? 12.702 12.870 12.782 0.40 52.51 ? 278 TRP a CD1 1 ? ? +28189 ATOM C CD1 B TRP U 1 268 ? 12.765 12.887 12.750 0.60 52.69 ? 278 TRP a CD1 1 ? ? +28190 ATOM C CD2 A TRP U 1 268 ? 13.358 14.241 14.418 0.40 53.47 ? 278 TRP a CD2 1 ? ? +28191 ATOM C CD2 B TRP U 1 268 ? 13.439 14.211 14.419 0.60 53.73 ? 278 TRP a CD2 1 ? ? +28192 ATOM N NE1 A TRP U 1 268 ? 13.305 13.959 12.203 0.40 52.60 ? 278 TRP a NE1 1 ? ? +28193 ATOM N NE1 B TRP U 1 268 ? 13.371 13.990 12.197 0.60 52.83 ? 278 TRP a NE1 1 ? ? +28194 ATOM C CE2 A TRP U 1 268 ? 13.719 14.816 13.187 0.40 53.18 ? 278 TRP a CE2 1 ? ? +28195 ATOM C CE2 B TRP U 1 268 ? 13.794 14.818 13.201 0.60 53.46 ? 278 TRP a CE2 1 ? ? +28196 ATOM C CE3 A TRP U 1 268 ? 13.670 14.928 15.596 0.40 54.11 ? 278 TRP a CE3 1 ? ? +28197 ATOM C CE3 B TRP U 1 268 ? 13.772 14.863 15.614 0.60 54.45 ? 278 TRP a CE3 1 ? ? +28198 ATOM C CZ2 A TRP U 1 268 ? 14.376 16.042 13.101 0.40 53.51 ? 278 TRP a CZ2 1 ? ? +28199 ATOM C CZ2 B TRP U 1 268 ? 14.462 16.041 13.143 0.60 53.87 ? 278 TRP a CZ2 1 ? ? +28200 ATOM C CZ3 A TRP U 1 268 ? 14.327 16.141 15.507 0.40 54.41 ? 278 TRP a CZ3 1 ? ? +28201 ATOM C CZ3 B TRP U 1 268 ? 14.434 16.078 15.551 0.60 54.73 ? 278 TRP a CZ3 1 ? ? +28202 ATOM C CH2 A TRP U 1 268 ? 14.668 16.685 14.272 0.40 54.11 ? 278 TRP a CH2 1 ? ? +28203 ATOM C CH2 B TRP U 1 268 ? 14.768 16.652 14.329 0.60 54.45 ? 278 TRP a CH2 1 ? ? +28204 ATOM N N A PRO U 1 269 ? 9.959 10.879 13.220 0.40 52.09 ? 279 PRO a N 1 ? ? +28205 ATOM N N B PRO U 1 269 ? 9.901 10.843 13.204 0.60 52.08 ? 279 PRO a N 1 ? ? +28206 ATOM C CA A PRO U 1 269 ? 9.315 10.721 11.917 0.40 51.58 ? 279 PRO a CA 1 ? ? +28207 ATOM C CA B PRO U 1 269 ? 9.233 10.683 11.911 0.60 51.57 ? 279 PRO a CA 1 ? ? +28208 ATOM C C A PRO U 1 269 ? 7.794 10.867 11.963 0.40 51.58 ? 279 PRO a C 1 ? ? +28209 ATOM C C B PRO U 1 269 ? 7.708 10.803 11.946 0.60 51.55 ? 279 PRO a C 1 ? ? +28210 ATOM O O A PRO U 1 269 ? 7.190 11.375 11.024 0.40 51.32 ? 279 PRO a O 1 ? ? +28211 ATOM O O B PRO U 1 269 ? 7.094 11.217 10.969 0.60 51.23 ? 279 PRO a O 1 ? ? +28212 ATOM C CB A PRO U 1 269 ? 9.739 9.313 11.493 0.40 51.20 ? 279 PRO a CB 1 ? ? +28213 ATOM C CB B PRO U 1 269 ? 9.657 9.278 11.490 0.60 51.19 ? 279 PRO a CB 1 ? ? +28214 ATOM C CG A PRO U 1 269 ? 10.017 8.598 12.779 0.40 51.54 ? 279 PRO a CG 1 ? ? +28215 ATOM C CG B PRO U 1 269 ? 9.894 8.563 12.775 0.60 51.53 ? 279 PRO a CG 1 ? ? +28216 ATOM C CD A PRO U 1 269 ? 10.579 9.635 13.703 0.40 52.08 ? 279 PRO a CD 1 ? ? +28217 ATOM C CD B PRO U 1 269 ? 10.491 9.584 13.685 0.60 52.07 ? 279 PRO a CD 1 ? ? +28218 ATOM N N A VAL U 1 270 ? 7.172 10.424 13.059 0.40 51.88 ? 280 VAL a N 1 ? ? +28219 ATOM N N B VAL U 1 270 ? 7.098 10.420 13.069 0.60 51.89 ? 280 VAL a N 1 ? ? +28220 ATOM C CA A VAL U 1 270 ? 5.728 10.518 13.186 0.40 51.96 ? 280 VAL a CA 1 ? ? +28221 ATOM C CA B VAL U 1 270 ? 5.658 10.530 13.211 0.60 52.01 ? 280 VAL a CA 1 ? ? +28222 ATOM C C A VAL U 1 270 ? 5.301 11.985 13.197 0.40 52.24 ? 280 VAL a C 1 ? ? +28223 ATOM C C B VAL U 1 270 ? 5.239 11.999 13.202 0.60 52.26 ? 280 VAL a C 1 ? ? +28224 ATOM O O A VAL U 1 270 ? 4.472 12.395 12.390 0.40 52.07 ? 280 VAL a O 1 ? ? +28225 ATOM O O B VAL U 1 270 ? 4.393 12.393 12.405 0.60 52.12 ? 280 VAL a O 1 ? ? +28226 ATOM C CB A VAL U 1 270 ? 5.216 9.739 14.419 0.40 52.31 ? 280 VAL a CB 1 ? ? +28227 ATOM C CB B VAL U 1 270 ? 5.174 9.783 14.463 0.60 52.40 ? 280 VAL a CB 1 ? ? +28228 ATOM C CG1 A VAL U 1 270 ? 3.764 10.098 14.751 0.40 52.57 ? 280 VAL a CG1 1 ? ? +28229 ATOM C CG1 B VAL U 1 270 ? 3.706 10.103 14.777 0.60 52.69 ? 280 VAL a CG1 1 ? ? +28230 ATOM C CG2 A VAL U 1 270 ? 5.373 8.235 14.209 0.40 52.00 ? 280 VAL a CG2 1 ? ? +28231 ATOM C CG2 B VAL U 1 270 ? 5.381 8.281 14.296 0.60 52.10 ? 280 VAL a CG2 1 ? ? +28232 ATOM N N A VAL U 1 271 ? 5.892 12.785 14.090 0.40 52.68 ? 281 VAL a N 1 ? ? +28233 ATOM N N B VAL U 1 271 ? 5.855 12.806 14.075 0.60 52.69 ? 281 VAL a N 1 ? ? +28234 ATOM C CA A VAL U 1 271 ? 5.556 14.197 14.176 0.40 52.97 ? 281 VAL a CA 1 ? ? +28235 ATOM C CA B VAL U 1 271 ? 5.575 14.233 14.137 0.60 52.96 ? 281 VAL a CA 1 ? ? +28236 ATOM C C A VAL U 1 271 ? 5.837 14.895 12.847 0.40 52.61 ? 281 VAL a C 1 ? ? +28237 ATOM C C B VAL U 1 271 ? 5.909 14.890 12.799 0.60 52.57 ? 281 VAL a C 1 ? ? +28238 ATOM O O A VAL U 1 271 ? 5.043 15.710 12.386 0.40 52.62 ? 281 VAL a O 1 ? ? +28239 ATOM O O B VAL U 1 271 ? 5.158 15.718 12.300 0.60 52.55 ? 281 VAL a O 1 ? ? +28240 ATOM C CB A VAL U 1 271 ? 6.300 14.898 15.338 0.40 53.51 ? 281 VAL a CB 1 ? ? +28241 ATOM C CB B VAL U 1 271 ? 6.331 14.924 15.308 0.60 53.51 ? 281 VAL a CB 1 ? ? +28242 ATOM C CG1 A VAL U 1 271 ? 6.050 16.403 15.319 0.40 53.83 ? 281 VAL a CG1 1 ? ? +28243 ATOM C CG1 B VAL U 1 271 ? 6.183 16.445 15.257 0.60 53.83 ? 281 VAL a CG1 1 ? ? +28244 ATOM C CG2 A VAL U 1 271 ? 5.910 14.302 16.685 0.40 53.90 ? 281 VAL a CG2 1 ? ? +28245 ATOM C CG2 B VAL U 1 271 ? 5.869 14.388 16.656 0.60 53.91 ? 281 VAL a CG2 1 ? ? +28246 ATOM N N A GLY U 1 272 ? 6.979 14.568 12.238 0.40 52.32 ? 282 GLY a N 1 ? ? +28247 ATOM N N B GLY U 1 272 ? 7.050 14.513 12.220 0.60 52.27 ? 282 GLY a N 1 ? ? +28248 ATOM C CA A GLY U 1 272 ? 7.365 15.167 10.972 0.40 52.03 ? 282 GLY a CA 1 ? ? +28249 ATOM C CA B GLY U 1 272 ? 7.458 15.065 10.942 0.60 51.95 ? 282 GLY a CA 1 ? ? +28250 ATOM C C A GLY U 1 272 ? 6.339 14.915 9.871 0.40 51.62 ? 282 GLY a C 1 ? ? +28251 ATOM C C B GLY U 1 272 ? 6.442 14.841 9.825 0.60 51.54 ? 282 GLY a C 1 ? ? +28252 ATOM O O A GLY U 1 272 ? 5.933 15.841 9.175 0.40 51.63 ? 282 GLY a O 1 ? ? +28253 ATOM O O B GLY U 1 272 ? 6.155 15.757 9.064 0.60 51.50 ? 282 GLY a O 1 ? ? +28254 ATOM N N A VAL U 1 273 ? 5.931 13.650 9.729 0.40 51.31 ? 283 VAL a N 1 ? ? +28255 ATOM N N B VAL U 1 273 ? 5.921 13.613 9.731 0.60 51.25 ? 283 VAL a N 1 ? ? +28256 ATOM C CA A VAL U 1 273 ? 4.960 13.257 8.723 0.40 50.96 ? 283 VAL a CA 1 ? ? +28257 ATOM C CA B VAL U 1 273 ? 4.955 13.252 8.706 0.60 50.92 ? 283 VAL a CA 1 ? ? +28258 ATOM C C A VAL U 1 273 ? 3.562 13.803 9.016 0.40 51.23 ? 283 VAL a C 1 ? ? +28259 ATOM C C B VAL U 1 273 ? 3.558 13.801 9.016 0.60 51.21 ? 283 VAL a C 1 ? ? +28260 ATOM O O A VAL U 1 273 ? 2.795 14.040 8.084 0.40 51.06 ? 283 VAL a O 1 ? ? +28261 ATOM O O B VAL U 1 273 ? 2.784 14.045 8.094 0.60 51.06 ? 283 VAL a O 1 ? ? +28262 ATOM C CB A VAL U 1 273 ? 4.956 11.719 8.574 0.40 50.63 ? 283 VAL a CB 1 ? ? +28263 ATOM C CB B VAL U 1 273 ? 4.958 11.712 8.494 0.60 50.56 ? 283 VAL a CB 1 ? ? +28264 ATOM C CG1 A VAL U 1 273 ? 3.741 11.226 7.789 0.40 50.35 ? 283 VAL a CG1 1 ? ? +28265 ATOM C CG1 B VAL U 1 273 ? 3.791 11.244 7.630 0.60 50.25 ? 283 VAL a CG1 1 ? ? +28266 ATOM C CG2 A VAL U 1 273 ? 6.257 11.242 7.936 0.40 50.32 ? 283 VAL a CG2 1 ? ? +28267 ATOM C CG2 B VAL U 1 273 ? 6.280 11.248 7.894 0.60 50.25 ? 283 VAL a CG2 1 ? ? +28268 ATOM N N . TRP U 1 274 ? 3.241 14.008 10.303 1.00 51.68 ? 284 TRP a N 1 ? ? +28269 ATOM C CA . TRP U 1 274 ? 2.032 14.731 10.689 1.00 52.04 ? 284 TRP a CA 1 ? ? +28270 ATOM C CB . TRP U 1 274 ? 1.865 14.874 12.215 1.00 52.50 ? 284 TRP a CB 1 ? ? +28271 ATOM C CG . TRP U 1 274 ? 1.300 13.677 12.910 1.00 52.48 ? 284 TRP a CG 1 ? ? +28272 ATOM C CD1 . TRP U 1 274 ? 0.611 12.646 12.351 1.00 52.10 ? 284 TRP a CD1 1 ? ? +28273 ATOM N NE1 . TRP U 1 274 ? 0.265 11.730 13.315 1.00 52.32 ? 284 TRP a NE1 1 ? ? +28274 ATOM C CE2 . TRP U 1 274 ? 0.729 12.160 14.527 1.00 52.77 ? 284 TRP a CE2 1 ? ? +28275 ATOM C CZ2 . TRP U 1 274 ? 0.633 11.577 15.787 1.00 53.15 ? 284 TRP a CZ2 1 ? ? +28276 ATOM C CH2 . TRP U 1 274 ? 1.216 12.247 16.837 1.00 53.64 ? 284 TRP a CH2 1 ? ? +28277 ATOM C CZ3 . TRP U 1 274 ? 1.884 13.465 16.651 1.00 53.72 ? 284 TRP a CZ3 1 ? ? +28278 ATOM C CE3 . TRP U 1 274 ? 1.980 14.040 15.402 1.00 53.35 ? 284 TRP a CE3 1 ? ? +28279 ATOM C CD2 . TRP U 1 274 ? 1.398 13.382 14.309 1.00 52.88 ? 284 TRP a CD2 1 ? ? +28280 ATOM C C . TRP U 1 274 ? 2.026 16.118 10.049 1.00 52.23 ? 284 TRP a C 1 ? ? +28281 ATOM O O . TRP U 1 274 ? 1.040 16.507 9.419 1.00 52.22 ? 284 TRP a O 1 ? ? +28282 ATOM N N A PHE U 1 275 ? 3.143 16.845 10.194 0.40 52.41 ? 285 PHE a N 1 ? ? +28283 ATOM N N B PHE U 1 275 ? 3.142 16.846 10.185 0.60 52.37 ? 285 PHE a N 1 ? ? +28284 ATOM C CA A PHE U 1 275 ? 3.279 18.160 9.590 0.40 52.57 ? 285 PHE a CA 1 ? ? +28285 ATOM C CA B PHE U 1 275 ? 3.260 18.169 9.594 0.60 52.51 ? 285 PHE a CA 1 ? ? +28286 ATOM C C A PHE U 1 275 ? 3.214 18.095 8.067 0.40 52.07 ? 285 PHE a C 1 ? ? +28287 ATOM C C B PHE U 1 275 ? 3.257 18.115 8.068 0.60 51.98 ? 285 PHE a C 1 ? ? +28288 ATOM O O A PHE U 1 275 ? 2.666 18.988 7.429 0.40 52.18 ? 285 PHE a O 1 ? ? +28289 ATOM O O B PHE U 1 275 ? 2.781 19.037 7.413 0.60 52.07 ? 285 PHE a O 1 ? ? +28290 ATOM C CB A PHE U 1 275 ? 4.570 18.859 10.053 0.40 52.88 ? 285 PHE a CB 1 ? ? +28291 ATOM C CB B PHE U 1 275 ? 4.508 18.908 10.126 0.60 52.88 ? 285 PHE a CB 1 ? ? +28292 ATOM C CG A PHE U 1 275 ? 4.409 19.441 11.433 0.40 53.54 ? 285 PHE a CG 1 ? ? +28293 ATOM C CG B PHE U 1 275 ? 4.286 19.449 11.516 0.60 53.56 ? 285 PHE a CG 1 ? ? +28294 ATOM C CD1 A PHE U 1 275 ? 3.451 20.407 11.687 0.40 53.93 ? 285 PHE a CD1 1 ? ? +28295 ATOM C CD1 B PHE U 1 275 ? 3.334 20.426 11.754 0.60 53.96 ? 285 PHE a CD1 1 ? ? +28296 ATOM C CD2 A PHE U 1 275 ? 5.193 19.005 12.481 0.40 53.81 ? 285 PHE a CD2 1 ? ? +28297 ATOM C CD2 B PHE U 1 275 ? 4.999 18.956 12.591 0.60 53.86 ? 285 PHE a CD2 1 ? ? +28298 ATOM C CE1 A PHE U 1 275 ? 3.290 20.932 12.959 0.40 54.51 ? 285 PHE a CE1 1 ? ? +28299 ATOM C CE1 B PHE U 1 275 ? 3.114 20.911 13.036 0.60 54.54 ? 285 PHE a CE1 1 ? ? +28300 ATOM C CE2 A PHE U 1 275 ? 5.029 19.533 13.755 0.40 54.40 ? 285 PHE a CE2 1 ? ? +28301 ATOM C CE2 B PHE U 1 275 ? 4.773 19.444 13.875 0.60 54.45 ? 285 PHE a CE2 1 ? ? +28302 ATOM C CZ A PHE U 1 275 ? 4.076 20.494 13.984 0.40 54.73 ? 285 PHE a CZ 1 ? ? +28303 ATOM C CZ B PHE U 1 275 ? 3.828 20.417 14.087 0.60 54.76 ? 285 PHE a CZ 1 ? ? +28304 ATOM N N A ALA U 1 276 ? 3.754 17.025 7.486 0.40 51.59 ? 286 ALA a N 1 ? ? +28305 ATOM N N B ALA U 1 276 ? 3.766 17.023 7.499 0.60 51.45 ? 286 ALA a N 1 ? ? +28306 ATOM C CA A ALA U 1 276 ? 3.640 16.831 6.052 0.40 51.14 ? 286 ALA a CA 1 ? ? +28307 ATOM C CA B ALA U 1 276 ? 3.688 16.837 6.061 0.60 50.96 ? 286 ALA a CA 1 ? ? +28308 ATOM C C A ALA U 1 276 ? 2.165 16.722 5.671 0.40 51.06 ? 286 ALA a C 1 ? ? +28309 ATOM C C B ALA U 1 276 ? 2.227 16.704 5.631 0.60 50.82 ? 286 ALA a C 1 ? ? +28310 ATOM O O A ALA U 1 276 ? 1.686 17.445 4.802 0.40 51.02 ? 286 ALA a O 1 ? ? +28311 ATOM O O B ALA U 1 276 ? 1.789 17.372 4.702 0.60 50.74 ? 286 ALA a O 1 ? ? +28312 ATOM C CB A ALA U 1 276 ? 4.409 15.598 5.619 0.40 50.68 ? 286 ALA a CB 1 ? ? +28313 ATOM C CB B ALA U 1 276 ? 4.496 15.626 5.633 0.60 50.51 ? 286 ALA a CB 1 ? ? +28314 ATOM N N A ALA U 1 277 ? 1.448 15.821 6.348 0.40 51.09 ? 287 ALA a N 1 ? ? +28315 ATOM N N B ALA U 1 277 ? 1.480 15.848 6.334 0.60 50.83 ? 287 ALA a N 1 ? ? +28316 ATOM C CA A ALA U 1 277 ? 0.027 15.630 6.111 0.40 51.11 ? 287 ALA a CA 1 ? ? +28317 ATOM C CA B ALA U 1 277 ? 0.064 15.644 6.066 0.60 50.82 ? 287 ALA a CA 1 ? ? +28318 ATOM C C A ALA U 1 277 ? -0.749 16.934 6.272 0.40 51.53 ? 287 ALA a C 1 ? ? +28319 ATOM C C B ALA U 1 277 ? -0.732 16.935 6.237 0.60 51.18 ? 287 ALA a C 1 ? ? +28320 ATOM O O A ALA U 1 277 ? -1.648 17.228 5.488 0.40 51.45 ? 287 ALA a O 1 ? ? +28321 ATOM O O B ALA U 1 277 ? -1.650 17.207 5.464 0.60 51.10 ? 287 ALA a O 1 ? ? +28322 ATOM C CB A ALA U 1 277 ? -0.524 14.575 7.054 0.40 51.22 ? 287 ALA a CB 1 ? ? +28323 ATOM C CB B ALA U 1 277 ? -0.488 14.557 6.978 0.60 50.90 ? 287 ALA a CB 1 ? ? +28324 ATOM N N A LEU U 1 278 ? -0.381 17.719 7.290 0.40 51.96 ? 288 LEU a N 1 ? ? +28325 ATOM N N B LEU U 1 278 ? -0.353 17.727 7.248 0.60 51.58 ? 288 LEU a N 1 ? ? +28326 ATOM C CA A LEU U 1 278 ? -1.069 18.969 7.562 0.40 52.42 ? 288 LEU a CA 1 ? ? +28327 ATOM C CA B LEU U 1 278 ? -1.004 18.997 7.522 0.60 52.03 ? 288 LEU a CA 1 ? ? +28328 ATOM C C A LEU U 1 278 ? -0.749 20.033 6.516 0.40 52.35 ? 288 LEU a C 1 ? ? +28329 ATOM C C B LEU U 1 278 ? -0.594 20.075 6.526 0.60 51.94 ? 288 LEU a C 1 ? ? +28330 ATOM O O A LEU U 1 278 ? -1.568 20.910 6.252 0.40 52.61 ? 288 LEU a O 1 ? ? +28331 ATOM O O B LEU U 1 278 ? -1.296 21.070 6.364 0.60 52.23 ? 288 LEU a O 1 ? ? +28332 ATOM C CB A LEU U 1 278 ? -0.718 19.462 8.962 0.40 52.94 ? 288 LEU a CB 1 ? ? +28333 ATOM C CB B LEU U 1 278 ? -0.678 19.451 8.941 0.60 52.54 ? 288 LEU a CB 1 ? ? +28334 ATOM C CG A LEU U 1 278 ? -1.336 18.635 10.091 0.40 53.16 ? 288 LEU a CG 1 ? ? +28335 ATOM C CG B LEU U 1 278 ? -1.330 18.642 10.060 0.60 52.76 ? 288 LEU a CG 1 ? ? +28336 ATOM C CD1 A LEU U 1 278 ? -0.924 19.173 11.441 0.40 53.67 ? 288 LEU a CD1 1 ? ? +28337 ATOM C CD1 B LEU U 1 278 ? -0.901 19.168 11.416 0.60 53.27 ? 288 LEU a CD1 1 ? ? +28338 ATOM C CD2 A LEU U 1 278 ? -2.855 18.584 9.967 0.40 53.29 ? 288 LEU a CD2 1 ? ? +28339 ATOM C CD2 B LEU U 1 278 ? -2.849 18.643 9.936 0.60 52.90 ? 288 LEU a CD2 1 ? ? +28340 ATOM N N A GLY U 1 279 ? 0.443 19.941 5.917 0.40 52.02 ? 289 GLY a N 1 ? ? +28341 ATOM N N B GLY U 1 279 ? 0.558 19.880 5.877 0.60 51.55 ? 289 GLY a N 1 ? ? +28342 ATOM C CA A GLY U 1 279 ? 0.815 20.829 4.830 0.40 51.91 ? 289 GLY a CA 1 ? ? +28343 ATOM C CA B GLY U 1 279 ? 0.964 20.738 4.780 0.60 51.42 ? 289 GLY a CA 1 ? ? +28344 ATOM C C A GLY U 1 279 ? -0.117 20.670 3.632 0.40 51.63 ? 289 GLY a C 1 ? ? +28345 ATOM C C B GLY U 1 279 ? 0.013 20.613 3.593 0.60 51.12 ? 289 GLY a C 1 ? ? +28346 ATOM O O A GLY U 1 279 ? -0.688 21.641 3.142 0.40 51.90 ? 289 GLY a O 1 ? ? +28347 ATOM O O B GLY U 1 279 ? -0.486 21.607 3.077 0.60 51.37 ? 289 GLY a O 1 ? ? +28348 ATOM N N A ILE U 1 280 ? -0.259 19.427 3.168 0.40 51.13 ? 290 ILE a N 1 ? ? +28349 ATOM N N B ILE U 1 280 ? -0.236 19.373 3.176 0.60 50.64 ? 290 ILE a N 1 ? ? +28350 ATOM C CA A ILE U 1 280 ? -1.150 19.124 2.065 0.40 50.87 ? 290 ILE a CA 1 ? ? +28351 ATOM C CA B ILE U 1 280 ? -1.114 19.108 2.053 0.60 50.39 ? 290 ILE a CA 1 ? ? +28352 ATOM C C A ILE U 1 280 ? -2.588 19.491 2.429 0.40 51.23 ? 290 ILE a C 1 ? ? +28353 ATOM C C B ILE U 1 280 ? -2.546 19.517 2.394 0.60 50.74 ? 290 ILE a C 1 ? ? +28354 ATOM O O A ILE U 1 280 ? -3.319 20.029 1.604 0.40 51.29 ? 290 ILE a O 1 ? ? +28355 ATOM O O B ILE U 1 280 ? -3.235 20.110 1.570 0.60 50.82 ? 290 ILE a O 1 ? ? +28356 ATOM C CB A ILE U 1 280 ? -1.025 17.637 1.671 0.40 50.38 ? 290 ILE a CB 1 ? ? +28357 ATOM C CB B ILE U 1 280 ? -1.011 17.619 1.662 0.60 49.90 ? 290 ILE a CB 1 ? ? +28358 ATOM C CG1 A ILE U 1 280 ? 0.414 17.277 1.276 0.40 50.03 ? 290 ILE a CG1 1 ? ? +28359 ATOM C CG1 B ILE U 1 280 ? 0.427 17.225 1.309 0.60 49.56 ? 290 ILE a CG1 1 ? ? +28360 ATOM C CG2 A ILE U 1 280 ? -2.017 17.275 0.562 0.40 50.17 ? 290 ILE a CG2 1 ? ? +28361 ATOM C CG2 B ILE U 1 280 ? -1.971 17.257 0.520 0.60 49.68 ? 290 ILE a CG2 1 ? ? +28362 ATOM C CD1 A ILE U 1 280 ? 0.919 18.022 0.103 0.40 49.92 ? 290 ILE a CD1 1 ? ? +28363 ATOM C CD1 B ILE U 1 280 ? 1.002 17.982 0.187 0.60 49.46 ? 290 ILE a CD1 1 ? ? +28364 ATOM N N A SER U 1 281 ? -2.981 19.206 3.676 0.40 51.48 ? 291 SER a N 1 ? ? +28365 ATOM N N B SER U 1 281 ? -2.973 19.214 3.623 0.60 50.99 ? 291 SER a N 1 ? ? +28366 ATOM C CA A SER U 1 281 ? -4.347 19.436 4.116 0.40 51.84 ? 291 SER a CA 1 ? ? +28367 ATOM C CA B SER U 1 281 ? -4.342 19.449 4.045 0.60 51.35 ? 291 SER a CA 1 ? ? +28368 ATOM C C A SER U 1 281 ? -4.685 20.919 4.257 0.40 52.35 ? 291 SER a C 1 ? ? +28369 ATOM C C B SER U 1 281 ? -4.709 20.925 4.208 0.60 51.86 ? 291 SER a C 1 ? ? +28370 ATOM O O A SER U 1 281 ? -5.849 21.295 4.154 0.40 52.66 ? 291 SER a O 1 ? ? +28371 ATOM O O B SER U 1 281 ? -5.878 21.272 4.087 0.60 52.17 ? 291 SER a O 1 ? ? +28372 ATOM C CB A SER U 1 281 ? -4.624 18.709 5.429 0.40 52.01 ? 291 SER a CB 1 ? ? +28373 ATOM C CB B SER U 1 281 ? -4.621 18.689 5.334 0.60 51.50 ? 291 SER a CB 1 ? ? +28374 ATOM O OG A SER U 1 281 ? -4.610 17.300 5.256 0.40 51.60 ? 291 SER a OG 1 ? ? +28375 ATOM O OG B SER U 1 281 ? -4.497 17.291 5.126 0.60 51.06 ? 291 SER a OG 1 ? ? +28376 ATOM N N A THR U 1 282 ? -3.674 21.762 4.496 0.40 52.48 ? 292 THR a N 1 ? ? +28377 ATOM N N B THR U 1 282 ? -3.722 21.793 4.471 0.60 52.01 ? 292 THR a N 1 ? ? +28378 ATOM C CA A THR U 1 282 ? -3.915 23.191 4.629 0.40 52.93 ? 292 THR a CA 1 ? ? +28379 ATOM C CA B THR U 1 282 ? -3.976 23.224 4.567 0.60 52.46 ? 292 THR a CA 1 ? ? +28380 ATOM C C A THR U 1 282 ? -3.740 23.916 3.298 0.40 52.78 ? 292 THR a C 1 ? ? +28381 ATOM C C B THR U 1 282 ? -3.733 23.953 3.248 0.60 52.30 ? 292 THR a C 1 ? ? +28382 ATOM O O A THR U 1 282 ? -4.403 24.917 3.040 0.40 53.16 ? 292 THR a O 1 ? ? +28383 ATOM O O B THR U 1 282 ? -4.335 24.994 2.996 0.60 52.69 ? 292 THR a O 1 ? ? +28384 ATOM C CB A THR U 1 282 ? -3.039 23.824 5.716 0.40 53.27 ? 292 THR a CB 1 ? ? +28385 ATOM C CB B THR U 1 282 ? -3.148 23.882 5.670 0.60 52.81 ? 292 THR a CB 1 ? ? +28386 ATOM O OG1 A THR U 1 282 ? -1.658 23.579 5.438 0.40 52.97 ? 292 THR a OG1 1 ? ? +28387 ATOM O OG1 B THR U 1 282 ? -1.761 23.761 5.353 0.60 52.54 ? 292 THR a OG1 1 ? ? +28388 ATOM C CG2 A THR U 1 282 ? -3.397 23.315 7.095 0.40 53.53 ? 292 THR a CG2 1 ? ? +28389 ATOM C CG2 B THR U 1 282 ? -3.456 23.301 7.033 0.60 53.04 ? 292 THR a CG2 1 ? ? +28390 ATOM N N A MET U 1 283 ? -2.840 23.407 2.454 0.40 52.26 ? 293 MET a N 1 ? ? +28391 ATOM N N B MET U 1 283 ? -2.845 23.410 2.412 0.60 51.78 ? 293 MET a N 1 ? ? +28392 ATOM C CA A MET U 1 283 ? -2.682 23.940 1.113 0.40 52.09 ? 293 MET a CA 1 ? ? +28393 ATOM C CA B MET U 1 283 ? -2.682 23.916 1.059 0.60 51.58 ? 293 MET a CA 1 ? ? +28394 ATOM C C A MET U 1 283 ? -3.921 23.577 0.292 0.40 51.97 ? 293 MET a C 1 ? ? +28395 ATOM C C B MET U 1 283 ? -3.910 23.550 0.222 0.60 51.46 ? 293 MET a C 1 ? ? +28396 ATOM O O A MET U 1 283 ? -4.207 24.196 -0.731 0.40 51.99 ? 293 MET a O 1 ? ? +28397 ATOM O O B MET U 1 283 ? -4.141 24.125 -0.837 0.60 51.45 ? 293 MET a O 1 ? ? +28398 ATOM C CB A MET U 1 283 ? -1.368 23.423 0.506 0.40 51.60 ? 293 MET a CB 1 ? ? +28399 ATOM C CB B MET U 1 283 ? -1.374 23.389 0.460 0.60 51.11 ? 293 MET a CB 1 ? ? +28400 ATOM C CG A MET U 1 283 ? -0.193 24.339 0.842 0.40 51.85 ? 293 MET a CG 1 ? ? +28401 ATOM C CG B MET U 1 283 ? -0.178 24.263 0.841 0.60 51.35 ? 293 MET a CG 1 ? ? +28402 ATOM S SD A MET U 1 283 ? 1.459 23.756 0.348 0.40 51.41 ? 293 MET a SD 1 ? ? +28403 ATOM S SD B MET U 1 283 ? 1.445 23.674 0.273 0.60 50.90 ? 293 MET a SD 1 ? ? +28404 ATOM C CE A MET U 1 283 ? 1.705 22.436 1.471 0.40 51.21 ? 293 MET a CE 1 ? ? +28405 ATOM C CE B MET U 1 283 ? 1.700 22.341 1.317 0.60 50.68 ? 293 MET a CE 1 ? ? +28406 ATOM N N A ALA U 1 284 ? -4.673 22.586 0.780 0.40 51.90 ? 294 ALA a N 1 ? ? +28407 ATOM N N B ALA U 1 284 ? -4.700 22.592 0.717 0.60 51.39 ? 294 ALA a N 1 ? ? +28408 ATOM C CA A ALA U 1 284 ? -5.974 22.255 0.226 0.40 51.94 ? 294 ALA a CA 1 ? ? +28409 ATOM C CA B ALA U 1 284 ? -6.018 22.301 0.183 0.60 51.45 ? 294 ALA a CA 1 ? ? +28410 ATOM C C A ALA U 1 284 ? -6.936 23.442 0.290 0.40 52.51 ? 294 ALA a C 1 ? ? +28411 ATOM C C B ALA U 1 284 ? -6.950 23.513 0.211 0.60 52.03 ? 294 ALA a C 1 ? ? +28412 ATOM O O A ALA U 1 284 ? -7.852 23.545 -0.521 0.40 52.54 ? 294 ALA a O 1 ? ? +28413 ATOM O O B ALA U 1 284 ? -7.771 23.683 -0.685 0.60 52.03 ? 294 ALA a O 1 ? ? +28414 ATOM C CB A ALA U 1 284 ? -6.560 21.062 0.959 0.40 51.85 ? 294 ALA a CB 1 ? ? +28415 ATOM C CB B ALA U 1 284 ? -6.635 21.154 0.962 0.60 51.39 ? 294 ALA a CB 1 ? ? +28416 ATOM N N A PHE U 1 285 ? -6.713 24.339 1.256 0.40 52.97 ? 295 PHE a N 1 ? ? +28417 ATOM N N B PHE U 1 285 ? -6.797 24.354 1.242 0.60 52.51 ? 295 PHE a N 1 ? ? +28418 ATOM C CA A PHE U 1 285 ? -7.487 25.563 1.369 0.40 53.54 ? 295 PHE a CA 1 ? ? +28419 ATOM C CA B PHE U 1 285 ? -7.543 25.596 1.375 0.60 53.11 ? 295 PHE a CA 1 ? ? +28420 ATOM C C A PHE U 1 285 ? -6.653 26.779 0.966 0.40 53.68 ? 295 PHE a C 1 ? ? +28421 ATOM C C B PHE U 1 285 ? -6.733 26.814 0.935 0.60 53.26 ? 295 PHE a C 1 ? ? +28422 ATOM O O A PHE U 1 285 ? -6.909 27.895 1.414 0.40 54.14 ? 295 PHE a O 1 ? ? +28423 ATOM O O B PHE U 1 285 ? -7.041 27.941 1.314 0.60 53.72 ? 295 PHE a O 1 ? ? +28424 ATOM C CB A PHE U 1 285 ? -8.016 25.684 2.794 0.40 54.02 ? 295 PHE a CB 1 ? ? +28425 ATOM C CB B PHE U 1 285 ? -7.980 25.719 2.825 0.60 53.59 ? 295 PHE a CB 1 ? ? +28426 ATOM C CG A PHE U 1 285 ? -8.739 24.435 3.235 0.40 53.93 ? 295 PHE a CG 1 ? ? +28427 ATOM C CG B PHE U 1 285 ? -8.698 24.475 3.290 0.60 53.51 ? 295 PHE a CG 1 ? ? +28428 ATOM C CD1 A PHE U 1 285 ? -9.981 24.110 2.711 0.40 53.99 ? 295 PHE a CD1 1 ? ? +28429 ATOM C CD1 B PHE U 1 285 ? -9.954 24.152 2.794 0.60 53.59 ? 295 PHE a CD1 1 ? ? +28430 ATOM C CD2 A PHE U 1 285 ? -8.160 23.565 4.143 0.40 53.78 ? 295 PHE a CD2 1 ? ? +28431 ATOM C CD2 B PHE U 1 285 ? -8.098 23.603 4.187 0.60 53.36 ? 295 PHE a CD2 1 ? ? +28432 ATOM C CE1 A PHE U 1 285 ? -10.640 22.957 3.109 0.40 53.91 ? 295 PHE a CE1 1 ? ? +28433 ATOM C CE1 B PHE U 1 285 ? -10.609 23.000 3.209 0.60 53.51 ? 295 PHE a CE1 1 ? ? +28434 ATOM C CE2 A PHE U 1 285 ? -8.822 22.412 4.541 0.40 53.70 ? 295 PHE a CE2 1 ? ? +28435 ATOM C CE2 B PHE U 1 285 ? -8.757 22.451 4.605 0.60 53.27 ? 295 PHE a CE2 1 ? ? +28436 ATOM C CZ A PHE U 1 285 ? -10.060 22.115 4.023 0.40 53.78 ? 295 PHE a CZ 1 ? ? +28437 ATOM C CZ B PHE U 1 285 ? -10.011 22.156 4.113 0.60 53.37 ? 295 PHE a CZ 1 ? ? +28438 ATOM N N A ASN U 1 286 ? -5.644 26.524 0.123 0.40 53.28 ? 296 ASN a N 1 ? ? +28439 ATOM N N B ASN U 1 286 ? -5.679 26.549 0.152 0.60 52.88 ? 296 ASN a N 1 ? ? +28440 ATOM C CA A ASN U 1 286 ? -4.880 27.553 -0.566 0.40 53.38 ? 296 ASN a CA 1 ? ? +28441 ATOM C CA B ASN U 1 286 ? -4.884 27.550 -0.543 0.60 52.98 ? 296 ASN a CA 1 ? ? +28442 ATOM C C A ASN U 1 286 ? -4.146 28.534 0.342 0.40 53.76 ? 296 ASN a C 1 ? ? +28443 ATOM C C B ASN U 1 286 ? -4.117 28.532 0.340 0.60 53.37 ? 296 ASN a C 1 ? ? +28444 ATOM O O A ASN U 1 286 ? -3.996 29.702 -0.004 0.40 54.11 ? 296 ASN a O 1 ? ? +28445 ATOM O O B ASN U 1 286 ? -3.884 29.669 -0.065 0.60 53.69 ? 296 ASN a O 1 ? ? +28446 ATOM C CB A ASN U 1 286 ? -5.787 28.333 -1.502 0.40 53.63 ? 296 ASN a CB 1 ? ? +28447 ATOM C CB B ASN U 1 286 ? -5.760 28.314 -1.519 0.60 53.22 ? 296 ASN a CB 1 ? ? +28448 ATOM C CG A ASN U 1 286 ? -6.489 27.441 -2.473 0.40 53.30 ? 296 ASN a CG 1 ? ? +28449 ATOM C CG B ASN U 1 286 ? -6.445 27.412 -2.496 0.60 52.87 ? 296 ASN a CG 1 ? ? +28450 ATOM O OD1 A ASN U 1 286 ? -5.940 26.422 -2.911 0.40 52.77 ? 296 ASN a OD1 1 ? ? +28451 ATOM O OD1 B ASN U 1 286 ? -5.828 26.501 -3.068 0.60 52.37 ? 296 ASN a OD1 1 ? ? +28452 ATOM N ND2 A ASN U 1 286 ? -7.732 27.786 -2.803 0.40 53.61 ? 296 ASN a ND2 1 ? ? +28453 ATOM N ND2 B ASN U 1 286 ? -7.743 27.639 -2.714 0.60 53.18 ? 296 ASN a ND2 1 ? ? +28454 ATOM N N A LEU U 1 287 ? -3.700 28.054 1.505 0.40 53.75 ? 297 LEU a N 1 ? ? +28455 ATOM N N B LEU U 1 287 ? -3.708 28.084 1.532 0.60 53.41 ? 297 LEU a N 1 ? ? +28456 ATOM C CA A LEU U 1 287 ? -2.747 28.803 2.304 0.40 54.06 ? 297 LEU a CA 1 ? ? +28457 ATOM C CA B LEU U 1 287 ? -2.734 28.825 2.317 0.60 53.74 ? 297 LEU a CA 1 ? ? +28458 ATOM C C A LEU U 1 287 ? -1.376 28.250 1.927 0.40 53.64 ? 297 LEU a C 1 ? ? +28459 ATOM C C B LEU U 1 287 ? -1.351 28.274 1.969 0.60 53.35 ? 297 LEU a C 1 ? ? +28460 ATOM O O A LEU U 1 287 ? -0.953 27.214 2.434 0.40 53.32 ? 297 LEU a O 1 ? ? +28461 ATOM O O B LEU U 1 287 ? -0.922 27.254 2.509 0.60 53.02 ? 297 LEU a O 1 ? ? +28462 ATOM C CB A LEU U 1 287 ? -3.038 28.679 3.800 0.40 54.39 ? 297 LEU a CB 1 ? ? +28463 ATOM C CB B LEU U 1 287 ? -3.029 28.735 3.815 0.60 54.06 ? 297 LEU a CB 1 ? ? +28464 ATOM C CG A LEU U 1 287 ? -2.150 29.539 4.695 0.40 54.78 ? 297 LEU a CG 1 ? ? +28465 ATOM C CG B LEU U 1 287 ? -2.090 29.538 4.705 0.60 54.44 ? 297 LEU a CG 1 ? ? +28466 ATOM C CD1 A LEU U 1 287 ? -2.328 31.006 4.387 0.40 55.28 ? 297 LEU a CD1 1 ? ? +28467 ATOM C CD1 B LEU U 1 287 ? -2.147 31.008 4.378 0.60 54.91 ? 297 LEU a CD1 1 ? ? +28468 ATOM C CD2 A LEU U 1 287 ? -2.431 29.280 6.152 0.40 55.07 ? 297 LEU a CD2 1 ? ? +28469 ATOM C CD2 B LEU U 1 287 ? -2.420 29.329 6.157 0.60 54.75 ? 297 LEU a CD2 1 ? ? +28470 ATOM N N A ASN U 1 288 ? -0.705 28.949 1.007 0.40 53.66 ? 298 ASN a N 1 ? ? +28471 ATOM N N B ASN U 1 288 ? -0.668 28.979 1.059 0.60 53.41 ? 298 ASN a N 1 ? ? +28472 ATOM C CA A ASN U 1 288 ? 0.428 28.388 0.293 0.40 53.25 ? 298 ASN a CA 1 ? ? +28473 ATOM C CA B ASN U 1 288 ? 0.488 28.447 0.355 0.60 53.05 ? 298 ASN a CA 1 ? ? +28474 ATOM C C A ASN U 1 288 ? 1.793 28.769 0.867 0.40 53.40 ? 298 ASN a C 1 ? ? +28475 ATOM C C B ASN U 1 288 ? 1.854 28.786 0.955 0.60 53.22 ? 298 ASN a C 1 ? ? +28476 ATOM O O A ASN U 1 288 ? 1.894 29.510 1.842 0.40 53.84 ? 298 ASN a O 1 ? ? +28477 ATOM O O B ASN U 1 288 ? 1.972 29.557 1.905 0.60 53.67 ? 298 ASN a O 1 ? ? +28478 ATOM C CB A ASN U 1 288 ? 0.345 28.796 -1.170 0.40 53.15 ? 298 ASN a CB 1 ? ? +28479 ATOM C CB B ASN U 1 288 ? 0.441 28.935 -1.086 0.60 52.96 ? 298 ASN a CB 1 ? ? +28480 ATOM C CG A ASN U 1 288 ? -0.962 28.411 -1.806 0.40 53.04 ? 298 ASN a CG 1 ? ? +28481 ATOM C CG B ASN U 1 288 ? -0.770 28.446 -1.807 0.60 52.78 ? 298 ASN a CG 1 ? ? +28482 ATOM O OD1 A ASN U 1 288 ? -1.535 27.353 -1.539 0.40 52.80 ? 298 ASN a OD1 1 ? ? +28483 ATOM O OD1 B ASN U 1 288 ? -1.204 27.312 -1.638 0.60 52.48 ? 298 ASN a OD1 1 ? ? +28484 ATOM N ND2 A ASN U 1 288 ? -1.475 29.274 -2.649 0.40 53.29 ? 298 ASN a ND2 1 ? ? +28485 ATOM N ND2 B ASN U 1 288 ? -1.350 29.291 -2.616 0.60 53.04 ? 298 ASN a ND2 1 ? ? +28486 ATOM N N A GLY U 1 289 ? 2.846 28.228 0.249 0.40 53.04 ? 299 GLY a N 1 ? ? +28487 ATOM N N B GLY U 1 289 ? 2.892 28.175 0.380 0.60 52.90 ? 299 GLY a N 1 ? ? +28488 ATOM C CA A GLY U 1 289 ? 4.207 28.466 0.695 0.40 53.18 ? 299 GLY a CA 1 ? ? +28489 ATOM C CA B GLY U 1 289 ? 4.258 28.410 0.807 0.60 53.08 ? 299 GLY a CA 1 ? ? +28490 ATOM C C A GLY U 1 289 ? 4.604 29.937 0.649 0.40 53.71 ? 299 GLY a C 1 ? ? +28491 ATOM C C B GLY U 1 289 ? 4.655 29.873 0.666 0.60 53.64 ? 299 GLY a C 1 ? ? +28492 ATOM O O A GLY U 1 289 ? 3.983 30.735 -0.048 0.40 53.91 ? 299 GLY a O 1 ? ? +28493 ATOM O O B GLY U 1 289 ? 4.009 30.630 -0.054 0.60 53.82 ? 299 GLY a O 1 ? ? +28494 ATOM N N A PHE U 1 290 ? 5.650 30.282 1.407 0.40 54.00 ? 300 PHE a N 1 ? ? +28495 ATOM N N B PHE U 1 290 ? 5.726 30.253 1.368 0.60 54.00 ? 300 PHE a N 1 ? ? +28496 ATOM C CA A PHE U 1 290 ? 6.188 31.631 1.399 0.40 54.51 ? 300 PHE a CA 1 ? ? +28497 ATOM C CA B PHE U 1 290 ? 6.185 31.629 1.378 0.60 54.56 ? 300 PHE a CA 1 ? ? +28498 ATOM C C A PHE U 1 290 ? 6.388 32.138 -0.024 0.40 54.38 ? 300 PHE a C 1 ? ? +28499 ATOM C C B PHE U 1 290 ? 6.406 32.148 -0.039 0.60 54.43 ? 300 PHE a C 1 ? ? +28500 ATOM O O A PHE U 1 290 ? 6.914 31.421 -0.875 0.40 53.93 ? 300 PHE a O 1 ? ? +28501 ATOM O O B PHE U 1 290 ? 6.968 31.446 -0.878 0.60 53.98 ? 300 PHE a O 1 ? ? +28502 ATOM C CB A PHE U 1 290 ? 7.528 31.699 2.131 0.40 54.74 ? 300 PHE a CB 1 ? ? +28503 ATOM C CB B PHE U 1 290 ? 7.484 31.761 2.166 0.60 54.87 ? 300 PHE a CB 1 ? ? +28504 ATOM C CG A PHE U 1 290 ? 7.421 31.592 3.626 0.40 55.05 ? 300 PHE a CG 1 ? ? +28505 ATOM C CG B PHE U 1 290 ? 7.333 31.610 3.655 0.60 55.21 ? 300 PHE a CG 1 ? ? +28506 ATOM C CD1 A PHE U 1 290 ? 6.703 32.521 4.349 0.40 55.59 ? 300 PHE a CD1 1 ? ? +28507 ATOM C CD1 B PHE U 1 290 ? 6.490 32.442 4.367 0.60 55.76 ? 300 PHE a CD1 1 ? ? +28508 ATOM C CD2 A PHE U 1 290 ? 8.041 30.561 4.310 0.40 54.82 ? 300 PHE a CD2 1 ? ? +28509 ATOM C CD2 B PHE U 1 290 ? 8.047 30.646 4.347 0.60 55.04 ? 300 PHE a CD2 1 ? ? +28510 ATOM C CE1 A PHE U 1 290 ? 6.601 32.420 5.731 0.40 55.89 ? 300 PHE a CE1 1 ? ? +28511 ATOM C CE1 B PHE U 1 290 ? 6.355 32.308 5.744 0.60 56.08 ? 300 PHE a CE1 1 ? ? +28512 ATOM C CE2 A PHE U 1 290 ? 7.944 30.466 5.688 0.40 55.14 ? 300 PHE a CE2 1 ? ? +28513 ATOM C CE2 B PHE U 1 290 ? 7.918 30.519 5.722 0.60 55.38 ? 300 PHE a CE2 1 ? ? +28514 ATOM C CZ A PHE U 1 290 ? 7.224 31.396 6.392 0.40 55.68 ? 300 PHE a CZ 1 ? ? +28515 ATOM C CZ B PHE U 1 290 ? 7.072 31.350 6.414 0.60 55.90 ? 300 PHE a CZ 1 ? ? +28516 ATOM N N A ASN U 1 291 ? 5.959 33.385 -0.251 0.40 54.80 ? 301 ASN a N 1 ? ? +28517 ATOM N N B ASN U 1 291 ? 5.945 33.383 -0.275 0.60 54.84 ? 301 ASN a N 1 ? ? +28518 ATOM C CA A ASN U 1 291 ? 6.137 34.055 -1.525 0.40 54.81 ? 301 ASN a CA 1 ? ? +28519 ATOM C CA B ASN U 1 291 ? 6.119 34.063 -1.545 0.60 54.85 ? 301 ASN a CA 1 ? ? +28520 ATOM C C A ASN U 1 291 ? 7.086 35.238 -1.359 0.40 55.31 ? 301 ASN a C 1 ? ? +28521 ATOM C C B ASN U 1 291 ? 7.077 35.239 -1.374 0.60 55.32 ? 301 ASN a C 1 ? ? +28522 ATOM O O A ASN U 1 291 ? 6.713 36.265 -0.796 0.40 55.85 ? 301 ASN a O 1 ? ? +28523 ATOM O O B ASN U 1 291 ? 6.698 36.271 -0.829 0.60 55.87 ? 301 ASN a O 1 ? ? +28524 ATOM C CB A ASN U 1 291 ? 4.800 34.510 -2.085 0.40 54.93 ? 301 ASN a CB 1 ? ? +28525 ATOM C CB B ASN U 1 291 ? 4.771 34.525 -2.076 0.60 54.99 ? 301 ASN a CB 1 ? ? +28526 ATOM C CG A ASN U 1 291 ? 4.958 35.272 -3.363 0.40 55.07 ? 301 ASN a CG 1 ? ? +28527 ATOM C CG B ASN U 1 291 ? 4.874 35.196 -3.409 0.60 55.09 ? 301 ASN a CG 1 ? ? +28528 ATOM O OD1 A ASN U 1 291 ? 6.042 35.768 -3.679 0.40 55.25 ? 301 ASN a OD1 1 ? ? +28529 ATOM O OD1 B ASN U 1 291 ? 5.960 35.532 -3.874 0.60 55.19 ? 301 ASN a OD1 1 ? ? +28530 ATOM N ND2 A ASN U 1 291 ? 3.889 35.398 -4.124 0.40 55.04 ? 301 ASN a ND2 1 ? ? +28531 ATOM N ND2 B ASN U 1 291 ? 3.750 35.424 -4.054 0.60 55.13 ? 301 ASN a ND2 1 ? ? +28532 ATOM N N . PHE U 1 292 ? 8.320 35.070 -1.845 1.00 55.15 ? 302 PHE a N 1 ? ? +28533 ATOM C CA . PHE U 1 292 ? 9.307 36.139 -1.824 1.00 55.58 ? 302 PHE a CA 1 ? ? +28534 ATOM C CB . PHE U 1 292 ? 10.586 35.716 -1.114 1.00 55.46 ? 302 PHE a CB 1 ? ? +28535 ATOM C CG . PHE U 1 292 ? 10.356 35.267 0.299 1.00 55.40 ? 302 PHE a CG 1 ? ? +28536 ATOM C CD1 . PHE U 1 292 ? 9.881 36.150 1.255 1.00 55.90 ? 302 PHE a CD1 1 ? ? +28537 ATOM C CD2 . PHE U 1 292 ? 10.583 33.955 0.670 1.00 54.89 ? 302 PHE a CD2 1 ? ? +28538 ATOM C CE1 . PHE U 1 292 ? 9.660 35.735 2.565 1.00 55.93 ? 302 PHE a CE1 1 ? ? +28539 ATOM C CE2 . PHE U 1 292 ? 10.360 33.542 1.979 1.00 54.97 ? 302 PHE a CE2 1 ? ? +28540 ATOM C CZ . PHE U 1 292 ? 9.894 34.434 2.919 1.00 55.48 ? 302 PHE a CZ 1 ? ? +28541 ATOM C C . PHE U 1 292 ? 9.612 36.614 -3.239 1.00 55.63 ? 302 PHE a C 1 ? ? +28542 ATOM O O . PHE U 1 292 ? 10.712 37.074 -3.505 1.00 55.94 ? 302 PHE a O 1 ? ? +28543 ATOM N N A ASN U 1 293 ? 8.607 36.544 -4.121 0.40 55.45 ? 303 ASN a N 1 ? ? +28544 ATOM N N B ASN U 1 293 ? 8.629 36.493 -4.138 0.60 55.44 ? 303 ASN a N 1 ? ? +28545 ATOM C CA A ASN U 1 293 ? 8.754 36.990 -5.496 0.40 55.46 ? 303 ASN a CA 1 ? ? +28546 ATOM C CA B ASN U 1 293 ? 8.771 36.976 -5.501 0.60 55.50 ? 303 ASN a CA 1 ? ? +28547 ATOM C C A ASN U 1 293 ? 8.874 38.510 -5.556 0.40 56.16 ? 303 ASN a C 1 ? ? +28548 ATOM C C B ASN U 1 293 ? 8.892 38.498 -5.528 0.60 56.19 ? 303 ASN a C 1 ? ? +28549 ATOM O O A ASN U 1 293 ? 7.938 39.219 -5.181 0.40 56.54 ? 303 ASN a O 1 ? ? +28550 ATOM O O B ASN U 1 293 ? 7.976 39.198 -5.097 0.60 56.60 ? 303 ASN a O 1 ? ? +28551 ATOM C CB A ASN U 1 293 ? 7.571 36.521 -6.336 0.40 55.11 ? 303 ASN a CB 1 ? ? +28552 ATOM C CB B ASN U 1 293 ? 7.589 36.517 -6.347 0.60 55.15 ? 303 ASN a CB 1 ? ? +28553 ATOM C CG A ASN U 1 293 ? 7.415 35.030 -6.353 0.40 54.43 ? 303 ASN a CG 1 ? ? +28554 ATOM C CG B ASN U 1 293 ? 7.530 35.026 -6.513 0.60 54.48 ? 303 ASN a CG 1 ? ? +28555 ATOM O OD1 A ASN U 1 293 ? 8.344 34.281 -6.043 0.40 54.15 ? 303 ASN a OD1 1 ? ? +28556 ATOM O OD1 B ASN U 1 293 ? 8.543 34.317 -6.447 0.60 54.19 ? 303 ASN a OD1 1 ? ? +28557 ATOM N ND2 A ASN U 1 293 ? 6.240 34.561 -6.740 0.40 54.19 ? 303 ASN a ND2 1 ? ? +28558 ATOM N ND2 B ASN U 1 293 ? 6.339 34.515 -6.760 0.60 54.25 ? 303 ASN a ND2 1 ? ? +28559 ATOM N N . HIS U 1 294 ? 10.031 38.983 -6.039 1.00 56.33 ? 304 HIS a N 1 ? ? +28560 ATOM C CA . HIS U 1 294 ? 10.352 40.400 -6.103 1.00 56.99 ? 304 HIS a CA 1 ? ? +28561 ATOM C CB . HIS U 1 294 ? 9.396 41.211 -7.014 1.00 57.14 ? 304 HIS a CB 1 ? ? +28562 ATOM C CG . HIS U 1 294 ? 9.281 40.782 -8.445 1.00 56.63 ? 304 HIS a CG 1 ? ? +28563 ATOM N ND1 . HIS U 1 294 ? 8.689 41.597 -9.377 1.00 56.86 ? 304 HIS a ND1 1 ? ? +28564 ATOM C CE1 . HIS U 1 294 ? 8.741 40.937 -10.518 1.00 56.42 ? 304 HIS a CE1 1 ? ? +28565 ATOM N NE2 . HIS U 1 294 ? 9.328 39.757 -10.358 1.00 55.84 ? 304 HIS a NE2 1 ? ? +28566 ATOM C CD2 . HIS U 1 294 ? 9.676 39.650 -9.053 1.00 55.96 ? 304 HIS a CD2 1 ? ? +28567 ATOM C C . HIS U 1 294 ? 10.397 41.070 -4.730 1.00 57.63 ? 304 HIS a C 1 ? ? +28568 ATOM O O . HIS U 1 294 ? 10.108 42.257 -4.615 1.00 58.28 ? 304 HIS a O 1 ? ? +28569 ATOM N N . SER U 1 295 ? 10.793 40.320 -3.698 1.00 57.59 ? 305 SER a N 1 ? ? +28570 ATOM C CA . SER U 1 295 ? 10.949 40.869 -2.358 1.00 58.19 ? 305 SER a CA 1 ? ? +28571 ATOM C CB . SER U 1 295 ? 11.075 39.751 -1.323 1.00 57.83 ? 305 SER a CB 1 ? ? +28572 ATOM O OG . SER U 1 295 ? 9.811 39.266 -0.912 1.00 57.58 ? 305 SER a OG 1 ? ? +28573 ATOM C C . SER U 1 295 ? 12.140 41.820 -2.220 1.00 58.94 ? 305 SER a C 1 ? ? +28574 ATOM O O . SER U 1 295 ? 12.072 42.795 -1.474 1.00 59.60 ? 305 SER a O 1 ? ? +28575 ATOM N N . VAL U 1 296 ? 13.235 41.529 -2.922 1.00 58.94 ? 306 VAL a N 1 ? ? +28576 ATOM C CA . VAL U 1 296 ? 14.393 42.404 -2.899 1.00 59.68 ? 306 VAL a CA 1 ? ? +28577 ATOM C CB . VAL U 1 296 ? 15.696 41.588 -2.859 1.00 59.43 ? 306 VAL a CB 1 ? ? +28578 ATOM C CG1 . VAL U 1 296 ? 16.924 42.503 -2.783 1.00 60.06 ? 306 VAL a CG1 1 ? ? +28579 ATOM C CG2 . VAL U 1 296 ? 15.667 40.593 -1.706 1.00 59.10 ? 306 VAL a CG2 1 ? ? +28580 ATOM C C . VAL U 1 296 ? 14.373 43.342 -4.103 1.00 60.23 ? 306 VAL a C 1 ? ? +28581 ATOM O O . VAL U 1 296 ? 14.283 42.892 -5.242 1.00 59.84 ? 306 VAL a O 1 ? ? +28582 ATOM N N . ILE U 1 297 ? 14.475 44.649 -3.833 1.00 61.29 ? 307 ILE a N 1 ? ? +28583 ATOM C CA . ILE U 1 297 ? 14.547 45.654 -4.879 1.00 61.98 ? 307 ILE a CA 1 ? ? +28584 ATOM C CB . ILE U 1 297 ? 13.160 46.321 -5.161 1.00 62.27 ? 307 ILE a CB 1 ? ? +28585 ATOM C CG1 . ILE U 1 297 ? 12.603 47.015 -3.950 1.00 62.80 ? 307 ILE a CG1 1 ? ? +28586 ATOM C CG2 . ILE U 1 297 ? 12.149 45.301 -5.689 1.00 61.56 ? 307 ILE a CG2 1 ? ? +28587 ATOM C CD1 . ILE U 1 297 ? 11.228 47.608 -4.201 1.00 63.01 ? 307 ILE a CD1 1 ? ? +28588 ATOM C C . ILE U 1 297 ? 15.615 46.663 -4.481 1.00 62.88 ? 307 ILE a C 1 ? ? +28589 ATOM O O . ILE U 1 297 ? 15.802 46.905 -3.296 1.00 63.26 ? 307 ILE a O 1 ? ? +28590 ATOM N N . ASP U 1 298 ? 16.288 47.241 -5.484 1.00 63.40 ? 308 ASP a N 1 ? ? +28591 ATOM C CA . ASP U 1 298 ? 17.407 48.141 -5.260 1.00 64.34 ? 308 ASP a CA 1 ? ? +28592 ATOM C CB . ASP U 1 298 ? 18.386 48.079 -6.453 1.00 64.46 ? 308 ASP a CB 1 ? ? +28593 ATOM C CG . ASP U 1 298 ? 18.010 48.848 -7.717 1.00 64.78 ? 308 ASP a CG 1 ? ? +28594 ATOM O OD1 . ASP U 1 298 ? 16.917 49.452 -7.745 1.00 64.94 ? 308 ASP a OD1 1 ? ? +28595 ATOM O OD2 . ASP U 1 298 ? 18.817 48.839 -8.675 1.00 64.86 ? 308 ASP a OD2 1 ? ? +28596 ATOM C C . ASP U 1 298 ? 16.929 49.568 -5.009 1.00 65.28 ? 308 ASP a C 1 ? ? +28597 ATOM O O . ASP U 1 298 ? 15.733 49.812 -4.885 1.00 65.36 ? 308 ASP a O 1 ? ? +28598 ATOM N N . ALA U 1 299 ? 17.878 50.508 -4.939 1.00 66.17 ? 309 ALA a N 1 ? ? +28599 ATOM C CA . ALA U 1 299 ? 17.586 51.887 -4.575 1.00 67.12 ? 309 ALA a CA 1 ? ? +28600 ATOM C CB . ALA U 1 299 ? 18.889 52.651 -4.417 1.00 67.87 ? 309 ALA a CB 1 ? ? +28601 ATOM C C . ALA U 1 299 ? 16.678 52.616 -5.569 1.00 67.44 ? 309 ALA a C 1 ? ? +28602 ATOM O O . ALA U 1 299 ? 15.899 53.482 -5.178 1.00 67.86 ? 309 ALA a O 1 ? ? +28603 ATOM N N . LYS U 1 300 ? 16.812 52.282 -6.860 1.00 67.24 ? 310 LYS a N 1 ? ? +28604 ATOM C CA . LYS U 1 300 ? 15.998 52.872 -7.909 1.00 67.43 ? 310 LYS a CA 1 ? ? +28605 ATOM C CB . LYS U 1 300 ? 16.667 52.656 -9.274 1.00 67.34 ? 310 LYS a CB 1 ? ? +28606 ATOM C CG . LYS U 1 300 ? 15.951 53.337 -10.426 1.00 67.64 ? 310 LYS a CG 1 ? ? +28607 ATOM C CD . LYS U 1 300 ? 16.668 53.128 -11.737 1.00 67.61 ? 310 LYS a CD 1 ? ? +28608 ATOM C CE . LYS U 1 300 ? 15.973 53.823 -12.865 1.00 67.98 ? 310 LYS a CE 1 ? ? +28609 ATOM N NZ . LYS U 1 300 ? 16.543 53.442 -14.170 1.00 67.84 ? 310 LYS a NZ 1 ? ? +28610 ATOM C C . LYS U 1 300 ? 14.600 52.259 -7.930 1.00 66.88 ? 310 LYS a C 1 ? ? +28611 ATOM O O . LYS U 1 300 ? 13.633 52.930 -8.271 1.00 67.16 ? 310 LYS a O 1 ? ? +28612 ATOM N N . GLY U 1 301 ? 14.520 50.971 -7.580 1.00 66.15 ? 311 GLY a N 1 ? ? +28613 ATOM C CA . GLY U 1 301 ? 13.299 50.194 -7.711 1.00 65.45 ? 311 GLY a CA 1 ? ? +28614 ATOM C C . GLY U 1 301 ? 13.412 48.983 -8.637 1.00 64.61 ? 311 GLY a C 1 ? ? +28615 ATOM O O . GLY U 1 301 ? 12.412 48.313 -8.862 1.00 64.11 ? 311 GLY a O 1 ? ? +28616 ATOM N N . ASN U 1 302 ? 14.614 48.708 -9.178 1.00 64.45 ? 312 ASN a N 1 ? ? +28617 ATOM C CA . ASN U 1 302 ? 14.837 47.504 -9.964 1.00 63.61 ? 312 ASN a CA 1 ? ? +28618 ATOM C CB . ASN U 1 302 ? 16.250 47.425 -10.523 1.00 63.85 ? 312 ASN a CB 1 ? ? +28619 ATOM C CG . ASN U 1 302 ? 16.641 48.543 -11.430 1.00 64.61 ? 312 ASN a CG 1 ? ? +28620 ATOM O OD1 . ASN U 1 302 ? 17.641 49.245 -11.203 1.00 65.49 ? 312 ASN a OD1 1 ? ? +28621 ATOM N ND2 . ASN U 1 302 ? 15.892 48.717 -12.491 1.00 64.52 ? 312 ASN a ND2 1 ? ? +28622 ATOM C C . ASN U 1 302 ? 14.620 46.269 -9.100 1.00 62.76 ? 312 ASN a C 1 ? ? +28623 ATOM O O . ASN U 1 302 ? 14.858 46.309 -7.900 1.00 63.00 ? 312 ASN a O 1 ? ? +28624 ATOM N N . VAL U 1 303 ? 14.198 45.167 -9.722 1.00 61.77 ? 313 VAL a N 1 ? ? +28625 ATOM C CA . VAL U 1 303 ? 14.065 43.910 -9.009 1.00 60.92 ? 313 VAL a CA 1 ? ? +28626 ATOM C CB . VAL U 1 303 ? 12.973 43.000 -9.618 1.00 60.21 ? 313 VAL a CB 1 ? ? +28627 ATOM C CG1 . VAL U 1 303 ? 12.958 41.616 -8.981 1.00 59.46 ? 313 VAL a CG1 1 ? ? +28628 ATOM C CG2 . VAL U 1 303 ? 11.604 43.651 -9.502 1.00 60.45 ? 313 VAL a CG2 1 ? ? +28629 ATOM C C . VAL U 1 303 ? 15.430 43.235 -9.021 1.00 60.55 ? 313 VAL a C 1 ? ? +28630 ATOM O O . VAL U 1 303 ? 16.012 43.059 -10.084 1.00 60.42 ? 313 VAL a O 1 ? ? +28631 ATOM N N . ILE U 1 304 ? 15.926 42.883 -7.829 1.00 60.41 ? 314 ILE a N 1 ? ? +28632 ATOM C CA . ILE U 1 304 ? 17.136 42.090 -7.692 1.00 60.03 ? 314 ILE a CA 1 ? ? +28633 ATOM C CB . ILE U 1 304 ? 18.085 42.599 -6.571 1.00 60.54 ? 314 ILE a CB 1 ? ? +28634 ATOM C CG1 . ILE U 1 304 ? 18.372 44.081 -6.683 1.00 61.34 ? 314 ILE a CG1 1 ? ? +28635 ATOM C CG2 . ILE U 1 304 ? 19.389 41.793 -6.570 1.00 60.34 ? 314 ILE a CG2 1 ? ? +28636 ATOM C CD1 . ILE U 1 304 ? 18.938 44.486 -7.994 1.00 61.54 ? 314 ILE a CD1 1 ? ? +28637 ATOM C C . ILE U 1 304 ? 16.716 40.661 -7.390 1.00 59.17 ? 314 ILE a C 1 ? ? +28638 ATOM O O . ILE U 1 304 ? 16.336 40.378 -6.263 1.00 59.14 ? 314 ILE a O 1 ? ? +28639 ATOM N N . ASN U 1 305 ? 16.817 39.771 -8.380 1.00 58.64 ? 315 ASN a N 1 ? ? +28640 ATOM C CA . ASN U 1 305 ? 16.375 38.397 -8.211 1.00 57.90 ? 315 ASN a CA 1 ? ? +28641 ATOM C CB . ASN U 1 305 ? 16.523 37.590 -9.504 1.00 57.58 ? 315 ASN a CB 1 ? ? +28642 ATOM C CG . ASN U 1 305 ? 15.507 37.930 -10.537 1.00 57.72 ? 315 ASN a CG 1 ? ? +28643 ATOM O OD1 . ASN U 1 305 ? 14.343 38.221 -10.216 1.00 57.95 ? 315 ASN a OD1 1 ? ? +28644 ATOM N ND2 . ASN U 1 305 ? 15.931 37.908 -11.801 1.00 57.82 ? 315 ASN a ND2 1 ? ? +28645 ATOM C C . ASN U 1 305 ? 17.126 37.659 -7.108 1.00 57.58 ? 315 ASN a C 1 ? ? +28646 ATOM O O . ASN U 1 305 ? 18.330 37.846 -6.926 1.00 57.94 ? 315 ASN a O 1 ? ? +28647 ATOM N N . THR U 1 306 ? 16.391 36.807 -6.393 1.00 56.87 ? 316 THR a N 1 ? ? +28648 ATOM C CA . THR U 1 306 ? 16.984 35.846 -5.487 1.00 56.48 ? 316 THR a CA 1 ? ? +28649 ATOM C CB . THR U 1 306 ? 16.475 36.028 -4.065 1.00 56.65 ? 316 THR a CB 1 ? ? +28650 ATOM O OG1 . THR U 1 306 ? 15.094 35.667 -4.020 1.00 56.35 ? 316 THR a OG1 1 ? ? +28651 ATOM C CG2 . THR U 1 306 ? 16.668 37.431 -3.559 1.00 57.35 ? 316 THR a CG2 1 ? ? +28652 ATOM C C . THR U 1 306 ? 16.675 34.469 -6.063 1.00 55.64 ? 316 THR a C 1 ? ? +28653 ATOM O O . THR U 1 306 ? 16.081 34.355 -7.128 1.00 55.28 ? 316 THR a O 1 ? ? +28654 ATOM N N . TRP U 1 307 ? 17.111 33.429 -5.352 1.00 55.36 ? 317 TRP a N 1 ? ? +28655 ATOM C CA . TRP U 1 307 ? 16.803 32.064 -5.727 1.00 54.62 ? 317 TRP a CA 1 ? ? +28656 ATOM C CB . TRP U 1 307 ? 17.552 31.073 -4.822 1.00 54.42 ? 317 TRP a CB 1 ? ? +28657 ATOM C CG . TRP U 1 307 ? 18.995 30.908 -5.171 1.00 54.46 ? 317 TRP a CG 1 ? ? +28658 ATOM C CD1 . TRP U 1 307 ? 20.072 31.309 -4.436 1.00 54.93 ? 317 TRP a CD1 1 ? ? +28659 ATOM N NE1 . TRP U 1 307 ? 21.239 30.976 -5.087 1.00 54.90 ? 317 TRP a NE1 1 ? ? +28660 ATOM C CE2 . TRP U 1 307 ? 20.928 30.343 -6.260 1.00 54.39 ? 317 TRP a CE2 1 ? ? +28661 ATOM C CZ2 . TRP U 1 307 ? 21.757 29.835 -7.260 1.00 54.18 ? 317 TRP a CZ2 1 ? ? +28662 ATOM C CH2 . TRP U 1 307 ? 21.152 29.261 -8.349 1.00 53.65 ? 317 TRP a CH2 1 ? ? +28663 ATOM C CZ3 . TRP U 1 307 ? 19.762 29.178 -8.456 1.00 53.36 ? 317 TRP a CZ3 1 ? ? +28664 ATOM C CE3 . TRP U 1 307 ? 18.935 29.692 -7.472 1.00 53.57 ? 317 TRP a CE3 1 ? ? +28665 ATOM C CD2 . TRP U 1 307 ? 19.518 30.285 -6.344 1.00 54.09 ? 317 TRP a CD2 1 ? ? +28666 ATOM C C . TRP U 1 307 ? 15.303 31.797 -5.695 1.00 54.35 ? 317 TRP a C 1 ? ? +28667 ATOM O O . TRP U 1 307 ? 14.834 30.909 -6.398 1.00 53.85 ? 317 TRP a O 1 ? ? +28668 ATOM N N . ALA U 1 308 ? 14.556 32.562 -4.889 1.00 54.77 ? 318 ALA a N 1 ? ? +28669 ATOM C CA . ALA U 1 308 ? 13.103 32.436 -4.844 1.00 54.60 ? 318 ALA a CA 1 ? ? +28670 ATOM C CB . ALA U 1 308 ? 12.515 33.267 -3.711 1.00 55.02 ? 318 ALA a CB 1 ? ? +28671 ATOM C C . ALA U 1 308 ? 12.471 32.839 -6.175 1.00 54.59 ? 318 ALA a C 1 ? ? +28672 ATOM O O . ALA U 1 308 ? 11.479 32.247 -6.590 1.00 54.34 ? 318 ALA a O 1 ? ? +28673 ATOM N N . ASP U 1 309 ? 13.054 33.838 -6.846 1.00 54.99 ? 319 ASP a N 1 ? ? +28674 ATOM C CA . ASP U 1 309 ? 12.568 34.263 -8.147 1.00 54.93 ? 319 ASP a CA 1 ? ? +28675 ATOM C CB . ASP U 1 309 ? 13.140 35.654 -8.534 1.00 55.51 ? 319 ASP a CB 1 ? ? +28676 ATOM C CG . ASP U 1 309 ? 12.725 36.766 -7.589 1.00 56.06 ? 319 ASP a CG 1 ? ? +28677 ATOM O OD1 . ASP U 1 309 ? 11.520 37.103 -7.545 1.00 56.10 ? 319 ASP a OD1 1 ? ? +28678 ATOM O OD2 . ASP U 1 309 ? 13.584 37.267 -6.863 1.00 56.53 ? 319 ASP a OD2 1 ? ? +28679 ATOM C C . ASP U 1 309 ? 12.862 33.223 -9.226 1.00 54.48 ? 319 ASP a C 1 ? ? +28680 ATOM O O . ASP U 1 309 ? 12.073 33.083 -10.156 1.00 54.28 ? 319 ASP a O 1 ? ? +28681 ATOM N N . ILE U 1 310 ? 13.975 32.481 -9.092 1.00 54.39 ? 320 ILE a N 1 ? ? +28682 ATOM C CA . ILE U 1 310 ? 14.274 31.389 -10.006 1.00 53.96 ? 320 ILE a CA 1 ? ? +28683 ATOM C CB . ILE U 1 310 ? 15.721 30.887 -9.869 1.00 54.12 ? 320 ILE a CB 1 ? ? +28684 ATOM C CG1 . ILE U 1 310 ? 16.780 32.029 -9.982 1.00 54.84 ? 320 ILE a CG1 1 ? ? +28685 ATOM C CG2 . ILE U 1 310 ? 15.983 29.773 -10.884 1.00 53.56 ? 320 ILE a CG2 1 ? ? +28686 ATOM C CD1 . ILE U 1 310 ? 16.687 32.837 -11.212 1.00 55.13 ? 320 ILE a CD1 1 ? ? +28687 ATOM C C . ILE U 1 310 ? 13.304 30.218 -9.836 1.00 53.42 ? 320 ILE a C 1 ? ? +28688 ATOM O O . ILE U 1 310 ? 12.863 29.634 -10.818 1.00 53.10 ? 320 ILE a O 1 ? ? +28689 ATOM N N A ILE U 1 311 ? 12.976 29.882 -8.584 0.40 53.44 ? 321 ILE a N 1 ? ? +28690 ATOM N N B ILE U 1 311 ? 13.012 29.849 -8.588 0.60 53.40 ? 321 ILE a N 1 ? ? +28691 ATOM C CA A ILE U 1 311 ? 11.929 28.916 -8.297 0.40 53.06 ? 321 ILE a CA 1 ? ? +28692 ATOM C CA B ILE U 1 311 ? 11.967 28.879 -8.306 0.60 53.00 ? 321 ILE a CA 1 ? ? +28693 ATOM C C A ILE U 1 311 ? 10.611 29.328 -8.945 0.40 53.14 ? 321 ILE a C 1 ? ? +28694 ATOM C C B ILE U 1 311 ? 10.662 29.292 -8.981 0.60 53.07 ? 321 ILE a C 1 ? ? +28695 ATOM O O A ILE U 1 311 ? 9.875 28.487 -9.455 0.40 52.82 ? 321 ILE a O 1 ? ? +28696 ATOM O O B ILE U 1 311 ? 9.971 28.453 -9.554 0.60 52.79 ? 321 ILE a O 1 ? ? +28697 ATOM C CB A ILE U 1 311 ? 11.730 28.739 -6.778 0.40 53.16 ? 321 ILE a CB 1 ? ? +28698 ATOM C CB B ILE U 1 311 ? 11.753 28.701 -6.782 0.60 53.11 ? 321 ILE a CB 1 ? ? +28699 ATOM C CG1 A ILE U 1 311 ? 12.944 28.070 -6.129 0.40 53.05 ? 321 ILE a CG1 1 ? ? +28700 ATOM C CG1 B ILE U 1 311 ? 12.943 27.981 -6.135 0.60 52.97 ? 321 ILE a CG1 1 ? ? +28701 ATOM C CG2 A ILE U 1 311 ? 10.435 27.954 -6.466 0.40 52.81 ? 321 ILE a CG2 1 ? ? +28702 ATOM C CG2 B ILE U 1 311 ? 10.426 27.972 -6.469 0.60 52.78 ? 321 ILE a CG2 1 ? ? +28703 ATOM C CD1 A ILE U 1 311 ? 12.885 28.081 -4.626 0.40 53.26 ? 321 ILE a CD1 1 ? ? +28704 ATOM C CD1 B ILE U 1 311 ? 12.945 28.074 -4.630 0.60 53.21 ? 321 ILE a CD1 1 ? ? +28705 ATOM N N A ASN U 1 312 ? 10.322 30.634 -8.920 0.40 53.69 ? 322 ASN a N 1 ? ? +28706 ATOM N N B ASN U 1 312 ? 10.326 30.585 -8.901 0.60 53.57 ? 322 ASN a N 1 ? ? +28707 ATOM C CA A ASN U 1 312 ? 9.085 31.144 -9.484 0.40 53.81 ? 322 ASN a CA 1 ? ? +28708 ATOM C CA B ASN U 1 312 ? 9.072 31.075 -9.445 0.60 53.63 ? 322 ASN a CA 1 ? ? +28709 ATOM C C A ASN U 1 312 ? 9.020 30.909 -10.993 0.40 53.59 ? 322 ASN a C 1 ? ? +28710 ATOM C C B ASN U 1 312 ? 9.013 30.926 -10.964 0.60 53.44 ? 322 ASN a C 1 ? ? +28711 ATOM O O A ASN U 1 312 ? 7.975 30.526 -11.517 0.40 53.37 ? 322 ASN a O 1 ? ? +28712 ATOM O O B ASN U 1 312 ? 7.939 30.704 -11.526 0.60 53.26 ? 322 ASN a O 1 ? ? +28713 ATOM C CB A ASN U 1 312 ? 8.907 32.625 -9.159 0.40 54.46 ? 322 ASN a CB 1 ? ? +28714 ATOM C CB B ASN U 1 312 ? 8.831 32.530 -9.046 0.60 54.27 ? 322 ASN a CB 1 ? ? +28715 ATOM C CG A ASN U 1 312 ? 7.459 33.055 -9.276 0.40 54.58 ? 322 ASN a CG 1 ? ? +28716 ATOM C CG B ASN U 1 312 ? 7.379 32.932 -9.235 0.60 54.35 ? 322 ASN a CG 1 ? ? +28717 ATOM O OD1 A ASN U 1 312 ? 6.535 32.373 -8.802 0.40 54.32 ? 322 ASN a OD1 1 ? ? +28718 ATOM O OD1 B ASN U 1 312 ? 6.456 32.209 -8.831 0.60 54.03 ? 322 ASN a OD1 1 ? ? +28719 ATOM N ND2 A ASN U 1 312 ? 7.229 34.183 -9.917 0.40 55.00 ? 322 ASN a ND2 1 ? ? +28720 ATOM N ND2 B ASN U 1 312 ? 7.145 34.069 -9.867 0.60 54.76 ? 322 ASN a ND2 1 ? ? +28721 ATOM N N A ARG U 1 313 ? 10.145 31.138 -11.682 0.40 53.67 ? 323 ARG a N 1 ? ? +28722 ATOM N N B ARG U 1 313 ? 10.176 31.053 -11.620 0.60 53.44 ? 323 ARG a N 1 ? ? +28723 ATOM C CA A ARG U 1 313 ? 10.229 30.920 -13.118 0.40 53.45 ? 323 ARG a CA 1 ? ? +28724 ATOM C CA B ARG U 1 313 ? 10.261 30.862 -13.058 0.60 53.20 ? 323 ARG a CA 1 ? ? +28725 ATOM C C A ARG U 1 313 ? 9.893 29.479 -13.489 0.40 52.81 ? 323 ARG a C 1 ? ? +28726 ATOM C C B ARG U 1 313 ? 9.893 29.429 -13.425 0.60 52.53 ? 323 ARG a C 1 ? ? +28727 ATOM O O A ARG U 1 313 ? 9.205 29.236 -14.476 0.40 52.67 ? 323 ARG a O 1 ? ? +28728 ATOM O O B ARG U 1 313 ? 9.072 29.205 -14.311 0.60 52.40 ? 323 ARG a O 1 ? ? +28729 ATOM C CB A ARG U 1 313 ? 11.633 31.255 -13.657 0.40 53.62 ? 323 ARG a CB 1 ? ? +28730 ATOM C CB B ARG U 1 313 ? 11.664 31.192 -13.586 0.60 53.37 ? 323 ARG a CB 1 ? ? +28731 ATOM C CG A ARG U 1 313 ? 12.029 32.732 -13.575 0.40 54.27 ? 323 ARG a CG 1 ? ? +28732 ATOM C CG B ARG U 1 313 ? 12.055 32.665 -13.486 0.60 54.02 ? 323 ARG a CG 1 ? ? +28733 ATOM C CD A ARG U 1 313 ? 11.061 33.658 -14.294 0.40 54.58 ? 323 ARG a CD 1 ? ? +28734 ATOM C CD B ARG U 1 313 ? 11.109 33.599 -14.229 0.60 54.33 ? 323 ARG a CD 1 ? ? +28735 ATOM N NE A ARG U 1 313 ? 10.894 33.320 -15.703 0.40 54.31 ? 323 ARG a NE 1 ? ? +28736 ATOM N NE B ARG U 1 313 ? 10.961 33.275 -15.645 0.60 54.05 ? 323 ARG a NE 1 ? ? +28737 ATOM C CZ A ARG U 1 313 ? 10.034 33.920 -16.513 0.40 54.46 ? 323 ARG a CZ 1 ? ? +28738 ATOM C CZ B ARG U 1 313 ? 10.059 33.826 -16.447 0.60 54.17 ? 323 ARG a CZ 1 ? ? +28739 ATOM N NH1 A ARG U 1 313 ? 9.324 34.962 -16.117 0.40 54.93 ? 323 ARG a NH1 1 ? ? +28740 ATOM N NH1 B ARG U 1 313 ? 9.212 34.740 -16.009 0.60 54.58 ? 323 ARG a NH1 1 ? ? +28741 ATOM N NH2 A ARG U 1 313 ? 9.883 33.465 -17.753 0.40 54.19 ? 323 ARG a NH2 1 ? ? +28742 ATOM N NH2 B ARG U 1 313 ? 10.001 33.446 -17.720 0.60 53.95 ? 323 ARG a NH2 1 ? ? +28743 ATOM N N A ALA U 1 314 ? 10.418 28.531 -12.707 0.40 52.49 ? 324 ALA a N 1 ? ? +28744 ATOM N N B ALA U 1 314 ? 10.502 28.466 -12.725 0.60 52.15 ? 324 ALA a N 1 ? ? +28745 ATOM C CA A ALA U 1 314 ? 10.141 27.120 -12.918 0.40 51.85 ? 324 ALA a CA 1 ? ? +28746 ATOM C CA B ALA U 1 314 ? 10.179 27.061 -12.910 0.60 51.47 ? 324 ALA a CA 1 ? ? +28747 ATOM C C A ALA U 1 314 ? 8.671 26.818 -12.631 0.40 51.64 ? 324 ALA a C 1 ? ? +28748 ATOM C C B ALA U 1 314 ? 8.700 26.786 -12.644 0.60 51.20 ? 324 ALA a C 1 ? ? +28749 ATOM O O A ALA U 1 314 ? 8.011 26.118 -13.395 0.40 51.22 ? 324 ALA a O 1 ? ? +28750 ATOM O O B ALA U 1 314 ? 8.050 26.078 -13.406 0.60 50.75 ? 324 ALA a O 1 ? ? +28751 ATOM C CB A ALA U 1 314 ? 11.048 26.268 -12.042 0.40 51.64 ? 324 ALA a CB 1 ? ? +28752 ATOM C CB B ALA U 1 314 ? 11.043 26.202 -12.007 0.60 51.25 ? 324 ALA a CB 1 ? ? +28753 ATOM N N A ASN U 1 315 ? 8.165 27.361 -11.523 0.40 51.96 ? 325 ASN a N 1 ? ? +28754 ATOM N N B ASN U 1 315 ? 8.186 27.345 -11.547 0.60 51.47 ? 325 ASN a N 1 ? ? +28755 ATOM C CA A ASN U 1 315 ? 6.764 27.207 -11.172 0.40 51.97 ? 325 ASN a CA 1 ? ? +28756 ATOM C CA B ASN U 1 315 ? 6.784 27.196 -11.195 0.60 51.45 ? 325 ASN a CA 1 ? ? +28757 ATOM C C A ASN U 1 315 ? 5.846 27.696 -12.287 0.40 52.08 ? 325 ASN a C 1 ? ? +28758 ATOM C C B ASN U 1 315 ? 5.864 27.661 -12.319 0.60 51.51 ? 325 ASN a C 1 ? ? +28759 ATOM O O A ASN U 1 315 ? 4.823 27.078 -12.553 0.40 51.84 ? 325 ASN a O 1 ? ? +28760 ATOM O O B ASN U 1 315 ? 4.939 26.947 -12.681 0.60 51.22 ? 325 ASN a O 1 ? ? +28761 ATOM C CB A ASN U 1 315 ? 6.456 27.941 -9.883 0.40 52.38 ? 325 ASN a CB 1 ? ? +28762 ATOM C CB B ASN U 1 315 ? 6.491 27.944 -9.906 0.60 51.86 ? 325 ASN a CB 1 ? ? +28763 ATOM C CG A ASN U 1 315 ? 7.055 27.280 -8.679 0.40 52.24 ? 325 ASN a CG 1 ? ? +28764 ATOM C CG B ASN U 1 315 ? 7.146 27.315 -8.711 0.60 51.71 ? 325 ASN a CG 1 ? ? +28765 ATOM O OD1 A ASN U 1 315 ? 7.482 26.129 -8.716 0.40 51.85 ? 325 ASN a OD1 1 ? ? +28766 ATOM O OD1 B ASN U 1 315 ? 7.691 26.215 -8.776 0.60 51.35 ? 325 ASN a OD1 1 ? ? +28767 ATOM N ND2 A ASN U 1 315 ? 7.078 27.981 -7.575 0.40 52.65 ? 325 ASN a ND2 1 ? ? +28768 ATOM N ND2 B ASN U 1 315 ? 7.091 27.980 -7.584 0.60 52.11 ? 325 ASN a ND2 1 ? ? +28769 ATOM N N A LEU U 1 316 ? 6.227 28.805 -12.932 0.40 52.53 ? 326 LEU a N 1 ? ? +28770 ATOM N N B LEU U 1 316 ? 6.157 28.837 -12.886 0.60 51.97 ? 326 LEU a N 1 ? ? +28771 ATOM C CA A LEU U 1 316 ? 5.440 29.386 -14.008 0.40 52.75 ? 326 LEU a CA 1 ? ? +28772 ATOM C CA B LEU U 1 316 ? 5.398 29.387 -13.999 0.60 52.16 ? 326 LEU a CA 1 ? ? +28773 ATOM C C A LEU U 1 316 ? 5.368 28.446 -15.205 0.40 52.41 ? 326 LEU a C 1 ? ? +28774 ATOM C C B LEU U 1 316 ? 5.360 28.456 -15.207 0.60 51.80 ? 326 LEU a C 1 ? ? +28775 ATOM O O A LEU U 1 316 ? 4.331 28.337 -15.853 0.40 52.42 ? 326 LEU a O 1 ? ? +28776 ATOM O O B LEU U 1 316 ? 4.359 28.391 -15.914 0.60 51.82 ? 326 LEU a O 1 ? ? +28777 ATOM C CB A LEU U 1 316 ? 6.032 30.736 -14.439 0.40 53.26 ? 326 LEU a CB 1 ? ? +28778 ATOM C CB B LEU U 1 316 ? 6.000 30.732 -14.432 0.60 52.68 ? 326 LEU a CB 1 ? ? +28779 ATOM C CG A LEU U 1 316 ? 5.701 31.921 -13.535 0.40 53.79 ? 326 LEU a CG 1 ? ? +28780 ATOM C CG B LEU U 1 316 ? 5.674 31.930 -13.544 0.60 53.22 ? 326 LEU a CG 1 ? ? +28781 ATOM C CD1 A LEU U 1 316 ? 6.588 33.102 -13.835 0.40 54.26 ? 326 LEU a CD1 1 ? ? +28782 ATOM C CD1 B LEU U 1 316 ? 6.631 33.087 -13.803 0.60 53.69 ? 326 LEU a CD1 1 ? ? +28783 ATOM C CD2 A LEU U 1 316 ? 4.243 32.333 -13.685 0.40 53.96 ? 326 LEU a CD2 1 ? ? +28784 ATOM C CD2 B LEU U 1 316 ? 4.243 32.389 -13.755 0.60 53.41 ? 326 LEU a CD2 1 ? ? +28785 ATOM N N A GLY U 1 317 ? 6.482 27.770 -15.494 0.40 52.20 ? 327 GLY a N 1 ? ? +28786 ATOM N N B GLY U 1 317 ? 6.468 27.759 -15.458 0.60 51.56 ? 327 GLY a N 1 ? ? +28787 ATOM C CA A GLY U 1 317 ? 6.534 26.827 -16.598 0.40 51.83 ? 327 GLY a CA 1 ? ? +28788 ATOM C CA B GLY U 1 317 ? 6.538 26.816 -16.560 0.60 51.15 ? 327 GLY a CA 1 ? ? +28789 ATOM C C A GLY U 1 317 ? 5.594 25.647 -16.383 0.40 51.45 ? 327 GLY a C 1 ? ? +28790 ATOM C C B GLY U 1 317 ? 5.589 25.640 -16.367 0.60 50.74 ? 327 GLY a C 1 ? ? +28791 ATOM O O A GLY U 1 317 ? 4.971 25.167 -17.323 0.40 51.32 ? 327 GLY a O 1 ? ? +28792 ATOM O O B GLY U 1 317 ? 4.969 25.181 -17.320 0.60 50.63 ? 327 GLY a O 1 ? ? +28793 ATOM N N A MET U 1 318 ? 5.517 25.191 -15.132 0.40 51.40 ? 328 MET a N 1 ? ? +28794 ATOM N N B MET U 1 318 ? 5.495 25.175 -15.119 0.60 50.65 ? 328 MET a N 1 ? ? +28795 ATOM C CA A MET U 1 318 ? 4.602 24.135 -14.735 0.40 51.15 ? 328 MET a CA 1 ? ? +28796 ATOM C CA B MET U 1 318 ? 4.582 24.112 -14.737 0.60 50.37 ? 328 MET a CA 1 ? ? +28797 ATOM C C A MET U 1 318 ? 3.156 24.613 -14.855 0.40 51.34 ? 328 MET a C 1 ? ? +28798 ATOM C C B MET U 1 318 ? 3.131 24.584 -14.825 0.60 50.56 ? 328 MET a C 1 ? ? +28799 ATOM O O A MET U 1 318 ? 2.305 23.928 -15.417 0.40 51.15 ? 328 MET a O 1 ? ? +28800 ATOM O O B MET U 1 318 ? 2.252 23.842 -15.254 0.60 50.37 ? 328 MET a O 1 ? ? +28801 ATOM C CB A MET U 1 318 ? 4.870 23.750 -13.283 0.40 51.23 ? 328 MET a CB 1 ? ? +28802 ATOM C CB B MET U 1 318 ? 4.869 23.684 -13.296 0.60 50.41 ? 328 MET a CB 1 ? ? +28803 ATOM C CG A MET U 1 318 ? 6.231 23.171 -13.039 0.40 51.10 ? 328 MET a CG 1 ? ? +28804 ATOM C CG B MET U 1 318 ? 6.254 23.121 -13.074 0.60 50.26 ? 328 MET a CG 1 ? ? +28805 ATOM S SD A MET U 1 318 ? 6.484 22.935 -11.271 0.40 51.35 ? 328 MET a SD 1 ? ? +28806 ATOM S SD B MET U 1 318 ? 6.495 22.747 -11.328 0.60 50.43 ? 328 MET a SD 1 ? ? +28807 ATOM C CE A MET U 1 318 ? 8.215 23.328 -11.147 0.40 51.53 ? 328 MET a CE 1 ? ? +28808 ATOM C CE B MET U 1 318 ? 8.128 23.386 -11.096 0.60 50.70 ? 328 MET a CE 1 ? ? +28809 ATOM N N A GLU U 1 319 ? 2.902 25.805 -14.308 0.40 51.76 ? 329 GLU a N 1 ? ? +28810 ATOM N N B GLU U 1 319 ? 2.906 25.827 -14.387 0.60 51.00 ? 329 GLU a N 1 ? ? +28811 ATOM C CA A GLU U 1 319 ? 1.593 26.433 -14.331 0.40 52.03 ? 329 GLU a CA 1 ? ? +28812 ATOM C CA B GLU U 1 319 ? 1.596 26.453 -14.360 0.60 51.26 ? 329 GLU a CA 1 ? ? +28813 ATOM C C A GLU U 1 319 ? 1.019 26.554 -15.741 0.40 52.02 ? 329 GLU a C 1 ? ? +28814 ATOM C C B GLU U 1 319 ? 1.012 26.579 -15.764 0.60 51.26 ? 329 GLU a C 1 ? ? +28815 ATOM O O A GLU U 1 319 ? -0.109 26.133 -15.987 0.40 51.93 ? 329 GLU a O 1 ? ? +28816 ATOM O O B GLU U 1 319 ? -0.120 26.160 -16.009 0.60 51.16 ? 329 GLU a O 1 ? ? +28817 ATOM C CB A GLU U 1 319 ? 1.703 27.819 -13.679 0.40 52.58 ? 329 GLU a CB 1 ? ? +28818 ATOM C CB B GLU U 1 319 ? 1.720 27.834 -13.681 0.60 51.81 ? 329 GLU a CB 1 ? ? +28819 ATOM C CG A GLU U 1 319 ? 0.486 28.713 -13.840 0.40 53.03 ? 329 GLU a CG 1 ? ? +28820 ATOM C CG B GLU U 1 319 ? 0.500 28.738 -13.773 0.60 52.28 ? 329 GLU a CG 1 ? ? +28821 ATOM C CD A GLU U 1 319 ? 0.664 30.089 -13.229 0.40 53.58 ? 329 GLU a CD 1 ? ? +28822 ATOM C CD B GLU U 1 319 ? 0.688 30.087 -13.107 0.60 52.81 ? 329 GLU a CD 1 ? ? +28823 ATOM O OE1 A GLU U 1 319 ? 0.923 30.158 -12.007 0.40 53.68 ? 329 GLU a OE1 1 ? ? +28824 ATOM O OE1 B GLU U 1 319 ? 0.846 30.114 -11.867 0.60 52.92 ? 329 GLU a OE1 1 ? ? +28825 ATOM O OE2 A GLU U 1 319 ? 0.551 31.098 -13.962 0.40 53.96 ? 329 GLU a OE2 1 ? ? +28826 ATOM O OE2 B GLU U 1 319 ? 0.688 31.116 -13.819 0.60 53.20 ? 329 GLU a OE2 1 ? ? +28827 ATOM N N A VAL U 1 320 ? 1.799 27.136 -16.662 0.40 52.09 ? 330 VAL a N 1 ? ? +28828 ATOM N N B VAL U 1 320 ? 1.794 27.154 -16.684 0.60 51.31 ? 330 VAL a N 1 ? ? +28829 ATOM C CA A VAL U 1 320 ? 1.279 27.497 -17.972 0.40 52.20 ? 330 VAL a CA 1 ? ? +28830 ATOM C CA B VAL U 1 320 ? 1.285 27.462 -18.011 0.60 51.39 ? 330 VAL a CA 1 ? ? +28831 ATOM C C A VAL U 1 320 ? 1.071 26.290 -18.885 0.40 51.75 ? 330 VAL a C 1 ? ? +28832 ATOM C C B VAL U 1 320 ? 1.090 26.218 -18.878 0.60 50.90 ? 330 VAL a C 1 ? ? +28833 ATOM O O A VAL U 1 320 ? 0.365 26.403 -19.885 0.40 51.88 ? 330 VAL a O 1 ? ? +28834 ATOM O O B VAL U 1 320 ? 0.368 26.281 -19.872 0.60 51.03 ? 330 VAL a O 1 ? ? +28835 ATOM C CB A VAL U 1 320 ? 2.152 28.553 -18.703 0.40 52.49 ? 330 VAL a CB 1 ? ? +28836 ATOM C CB B VAL U 1 320 ? 2.155 28.494 -18.774 0.60 51.67 ? 330 VAL a CB 1 ? ? +28837 ATOM C CG1 A VAL U 1 320 ? 2.259 29.845 -17.900 0.40 53.01 ? 330 VAL a CG1 1 ? ? +28838 ATOM C CG1 B VAL U 1 320 ? 2.263 29.809 -18.010 0.60 52.19 ? 330 VAL a CG1 1 ? ? +28839 ATOM C CG2 A VAL U 1 320 ? 3.526 27.999 -19.049 0.40 52.18 ? 330 VAL a CG2 1 ? ? +28840 ATOM C CG2 B VAL U 1 320 ? 3.522 27.929 -19.114 0.60 51.36 ? 330 VAL a CG2 1 ? ? +28841 ATOM N N A MET U 1 321 ? 1.683 25.146 -18.548 0.40 51.26 ? 331 MET a N 1 ? ? +28842 ATOM N N B MET U 1 321 ? 1.732 25.100 -18.513 0.60 50.41 ? 331 MET a N 1 ? ? +28843 ATOM C CA A MET U 1 321 ? 1.603 23.964 -19.391 0.40 50.80 ? 331 MET a CA 1 ? ? +28844 ATOM C CA B MET U 1 321 ? 1.687 23.902 -19.336 0.60 49.93 ? 331 MET a CA 1 ? ? +28845 ATOM C C A MET U 1 321 ? 0.633 22.903 -18.870 0.40 50.61 ? 331 MET a C 1 ? ? +28846 ATOM C C B MET U 1 321 ? 0.740 22.818 -18.827 0.60 49.70 ? 331 MET a C 1 ? ? +28847 ATOM O O A MET U 1 321 ? 0.109 22.120 -19.653 0.40 50.39 ? 331 MET a O 1 ? ? +28848 ATOM O O B MET U 1 321 ? 0.289 22.000 -19.617 0.60 49.47 ? 331 MET a O 1 ? ? +28849 ATOM C CB A MET U 1 321 ? 2.996 23.333 -19.554 0.40 50.40 ? 331 MET a CB 1 ? ? +28850 ATOM C CB B MET U 1 321 ? 3.098 23.320 -19.477 0.60 49.54 ? 331 MET a CB 1 ? ? +28851 ATOM C CG A MET U 1 321 ? 3.920 24.126 -20.469 0.40 50.55 ? 331 MET a CG 1 ? ? +28852 ATOM C CG B MET U 1 321 ? 3.949 24.070 -20.475 0.60 49.67 ? 331 MET a CG 1 ? ? +28853 ATOM S SD A MET U 1 321 ? 3.258 24.446 -22.128 0.40 50.66 ? 331 MET a SD 1 ? ? +28854 ATOM S SD B MET U 1 321 ? 3.249 24.204 -22.150 0.60 49.71 ? 331 MET a SD 1 ? ? +28855 ATOM C CE A MET U 1 321 ? 3.000 22.801 -22.713 0.40 50.04 ? 331 MET a CE 1 ? ? +28856 ATOM C CE B MET U 1 321 ? 2.974 22.539 -22.545 0.60 49.09 ? 331 MET a CE 1 ? ? +28857 ATOM N N A HIS U 1 322 ? 0.385 22.875 -17.556 0.40 50.79 ? 332 HIS a N 1 ? ? +28858 ATOM N N B HIS U 1 322 ? 0.430 22.812 -17.525 0.60 49.90 ? 332 HIS a N 1 ? ? +28859 ATOM C CA A HIS U 1 322 ? -0.466 21.841 -16.992 0.40 50.72 ? 332 HIS a CA 1 ? ? +28860 ATOM C CA B HIS U 1 322 ? -0.444 21.791 -16.974 0.60 49.82 ? 332 HIS a CA 1 ? ? +28861 ATOM C C A HIS U 1 322 ? -1.881 21.957 -17.557 0.40 50.96 ? 332 HIS a C 1 ? ? +28862 ATOM C C B HIS U 1 322 ? -1.854 21.928 -17.550 0.60 50.07 ? 332 HIS a C 1 ? ? +28863 ATOM O O A HIS U 1 322 ? -2.356 23.055 -17.842 0.40 51.37 ? 332 HIS a O 1 ? ? +28864 ATOM O O B HIS U 1 322 ? -2.321 23.033 -17.832 0.60 50.47 ? 332 HIS a O 1 ? ? +28865 ATOM C CB A HIS U 1 322 ? -0.470 21.869 -15.444 0.40 50.96 ? 332 HIS a CB 1 ? ? +28866 ATOM C CB B HIS U 1 322 ? -0.462 21.810 -15.421 0.60 50.07 ? 332 HIS a CB 1 ? ? +28867 ATOM C CG A HIS U 1 322 ? -1.472 22.772 -14.780 0.40 51.62 ? 332 HIS a CG 1 ? ? +28868 ATOM C CG B HIS U 1 322 ? -1.478 22.699 -14.756 0.60 50.73 ? 332 HIS a CG 1 ? ? +28869 ATOM N ND1 A HIS U 1 322 ? -1.328 24.145 -14.792 0.40 52.18 ? 332 HIS a ND1 1 ? ? +28870 ATOM N ND1 B HIS U 1 322 ? -1.377 24.072 -14.796 0.60 51.30 ? 332 HIS a ND1 1 ? ? +28871 ATOM C CD2 A HIS U 1 322 ? -2.568 22.458 -14.046 0.40 51.85 ? 332 HIS a CD2 1 ? ? +28872 ATOM C CD2 B HIS U 1 322 ? -2.555 22.368 -14.004 0.60 50.96 ? 332 HIS a CD2 1 ? ? +28873 ATOM C CE1 A HIS U 1 322 ? -2.346 24.630 -14.095 0.40 52.58 ? 332 HIS a CE1 1 ? ? +28874 ATOM C CE1 B HIS U 1 322 ? -2.397 24.541 -14.094 0.60 51.69 ? 332 HIS a CE1 1 ? ? +28875 ATOM N NE2 A HIS U 1 322 ? -3.122 23.646 -13.621 0.40 52.57 ? 332 HIS a NE2 1 ? ? +28876 ATOM N NE2 B HIS U 1 322 ? -3.136 23.544 -13.590 0.60 51.68 ? 332 HIS a NE2 1 ? ? +28877 ATOM N N A GLU U 1 323 ? -2.528 20.802 -17.748 0.40 50.72 ? 333 GLU a N 1 ? ? +28878 ATOM N N B GLU U 1 323 ? -2.507 20.779 -17.754 0.60 49.84 ? 333 GLU a N 1 ? ? +28879 ATOM C CA A GLU U 1 323 ? -3.908 20.749 -18.197 0.40 50.98 ? 333 GLU a CA 1 ? ? +28880 ATOM C CA B GLU U 1 323 ? -3.904 20.741 -18.148 0.60 50.12 ? 333 GLU a CA 1 ? ? +28881 ATOM C C A GLU U 1 323 ? -4.120 21.792 -19.296 0.40 51.00 ? 333 GLU a C 1 ? ? +28882 ATOM C C B GLU U 1 323 ? -4.139 21.778 -19.252 0.60 50.13 ? 333 GLU a C 1 ? ? +28883 ATOM O O A GLU U 1 323 ? -4.986 22.662 -19.198 0.40 51.35 ? 333 GLU a O 1 ? ? +28884 ATOM O O B GLU U 1 323 ? -5.033 22.621 -19.169 0.60 50.45 ? 333 GLU a O 1 ? ? +28885 ATOM C CB A GLU U 1 323 ? -4.851 20.946 -16.988 0.40 51.63 ? 333 GLU a CB 1 ? ? +28886 ATOM C CB B GLU U 1 323 ? -4.780 20.951 -16.888 0.60 50.79 ? 333 GLU a CB 1 ? ? +28887 ATOM C CG A GLU U 1 323 ? -4.744 19.865 -15.895 0.40 51.69 ? 333 GLU a CG 1 ? ? +28888 ATOM C CG B GLU U 1 323 ? -4.638 19.874 -15.796 0.60 50.88 ? 333 GLU a CG 1 ? ? +28889 ATOM C CD A GLU U 1 323 ? -5.419 20.246 -14.584 0.40 52.46 ? 333 GLU a CD 1 ? ? +28890 ATOM C CD B GLU U 1 323 ? -5.363 20.196 -14.495 0.60 51.71 ? 333 GLU a CD 1 ? ? +28891 ATOM O OE1 A GLU U 1 323 ? -6.021 21.341 -14.573 0.40 53.33 ? 333 GLU a OE1 1 ? ? +28892 ATOM O OE1 B GLU U 1 323 ? -5.903 21.322 -14.419 0.60 52.64 ? 333 GLU a OE1 1 ? ? +28893 ATOM O OE2 A GLU U 1 323 ? -5.359 19.491 -13.582 0.40 53.10 ? 333 GLU a OE2 1 ? ? +28894 ATOM O OE2 B GLU U 1 323 ? -5.420 19.352 -13.567 0.60 52.51 ? 333 GLU a OE2 1 ? ? +28895 ATOM N N A ARG U 1 324 ? -3.324 21.655 -20.365 0.40 50.49 ? 334 ARG a N 1 ? ? +28896 ATOM N N B ARG U 1 324 ? -3.317 21.666 -20.306 0.60 49.66 ? 334 ARG a N 1 ? ? +28897 ATOM C CA A ARG U 1 324 ? -3.138 22.683 -21.379 0.40 50.54 ? 334 ARG a CA 1 ? ? +28898 ATOM C CA B ARG U 1 324 ? -3.143 22.691 -21.327 0.60 49.73 ? 334 ARG a CA 1 ? ? +28899 ATOM C C A ARG U 1 324 ? -4.386 23.101 -22.157 0.40 50.70 ? 334 ARG a C 1 ? ? +28900 ATOM C C B ARG U 1 324 ? -4.385 23.122 -22.110 0.60 49.93 ? 334 ARG a C 1 ? ? +28901 ATOM O O A ARG U 1 324 ? -4.407 24.172 -22.760 0.40 51.08 ? 334 ARG a O 1 ? ? +28902 ATOM O O B ARG U 1 324 ? -4.377 24.183 -22.732 0.60 50.30 ? 334 ARG a O 1 ? ? +28903 ATOM C CB A ARG U 1 324 ? -2.093 22.190 -22.384 0.40 50.12 ? 334 ARG a CB 1 ? ? +28904 ATOM C CB B ARG U 1 324 ? -2.104 22.201 -22.340 0.60 49.32 ? 334 ARG a CB 1 ? ? +28905 ATOM C CG A ARG U 1 324 ? -2.581 21.028 -23.226 0.40 49.78 ? 334 ARG a CG 1 ? ? +28906 ATOM C CG B ARG U 1 324 ? -2.600 21.059 -23.207 0.60 48.97 ? 334 ARG a CG 1 ? ? +28907 ATOM C CD A ARG U 1 324 ? -1.450 20.233 -23.829 0.40 49.33 ? 334 ARG a CD 1 ? ? +28908 ATOM C CD B ARG U 1 324 ? -1.480 20.309 -23.878 0.60 48.53 ? 334 ARG a CD 1 ? ? +28909 ATOM N NE A ARG U 1 324 ? -1.943 19.026 -24.480 0.40 48.97 ? 334 ARG a NE 1 ? ? +28910 ATOM N NE B ARG U 1 324 ? -1.955 19.102 -24.543 0.60 48.18 ? 334 ARG a NE 1 ? ? +28911 ATOM C CZ A ARG U 1 324 ? -2.457 17.985 -23.842 0.40 48.70 ? 334 ARG a CZ 1 ? ? +28912 ATOM C CZ B ARG U 1 324 ? -2.414 18.023 -23.926 0.60 47.88 ? 334 ARG a CZ 1 ? ? +28913 ATOM N NH1 A ARG U 1 324 ? -2.211 17.766 -22.563 0.40 48.57 ? 334 ARG a NH1 1 ? ? +28914 ATOM N NH1 B ARG U 1 324 ? -2.153 17.788 -22.652 0.60 47.74 ? 334 ARG a NH1 1 ? ? +28915 ATOM N NH2 A ARG U 1 324 ? -3.232 17.136 -24.508 0.40 48.62 ? 334 ARG a NH2 1 ? ? +28916 ATOM N NH2 B ARG U 1 324 ? -3.149 17.150 -24.607 0.60 47.79 ? 334 ARG a NH2 1 ? ? +28917 ATOM N N A ASN U 1 325 ? -5.415 22.249 -22.163 0.40 50.42 ? 335 ASN a N 1 ? ? +28918 ATOM N N B ASN U 1 325 ? -5.424 22.280 -22.115 0.60 49.68 ? 335 ASN a N 1 ? ? +28919 ATOM C CA A ASN U 1 325 ? -6.641 22.544 -22.887 0.40 50.62 ? 335 ASN a CA 1 ? ? +28920 ATOM C CA B ASN U 1 325 ? -6.660 22.574 -22.825 0.60 49.92 ? 335 ASN a CA 1 ? ? +28921 ATOM C C A ASN U 1 325 ? -7.834 22.827 -21.975 0.40 50.84 ? 335 ASN a C 1 ? ? +28922 ATOM C C B ASN U 1 325 ? -7.861 22.863 -21.922 0.60 50.16 ? 335 ASN a C 1 ? ? +28923 ATOM O O A ASN U 1 325 ? -8.962 22.922 -22.447 0.40 51.21 ? 335 ASN a O 1 ? ? +28924 ATOM O O B ASN U 1 325 ? -8.970 23.041 -22.415 0.60 50.56 ? 335 ASN a O 1 ? ? +28925 ATOM C CB A ASN U 1 325 ? -6.994 21.378 -23.812 0.40 50.30 ? 335 ASN a CB 1 ? ? +28926 ATOM C CB B ASN U 1 325 ? -6.998 21.396 -23.735 0.60 49.58 ? 335 ASN a CB 1 ? ? +28927 ATOM C CG A ASN U 1 325 ? -5.974 21.114 -24.881 0.40 49.99 ? 335 ASN a CG 1 ? ? +28928 ATOM C CG B ASN U 1 325 ? -5.987 21.164 -24.821 0.60 49.27 ? 335 ASN a CG 1 ? ? +28929 ATOM O OD1 A ASN U 1 325 ? -5.594 22.012 -25.628 0.40 50.25 ? 335 ASN a OD1 1 ? ? +28930 ATOM O OD1 B ASN U 1 325 ? -5.701 22.061 -25.603 0.60 49.55 ? 335 ASN a OD1 1 ? ? +28931 ATOM N ND2 A ASN U 1 325 ? -5.521 19.874 -24.993 0.40 49.47 ? 335 ASN a ND2 1 ? ? +28932 ATOM N ND2 B ASN U 1 325 ? -5.441 19.958 -24.920 0.60 48.75 ? 335 ASN a ND2 1 ? ? +28933 ATOM N N A ALA U 1 326 ? -7.574 22.990 -20.675 0.40 50.70 ? 336 ALA a N 1 ? ? +28934 ATOM N N B ALA U 1 326 ? -7.631 22.937 -20.608 0.60 50.02 ? 336 ALA a N 1 ? ? +28935 ATOM C CA A ALA U 1 326 ? -8.624 22.992 -19.670 0.40 50.84 ? 336 ALA a CA 1 ? ? +28936 ATOM C CA B ALA U 1 326 ? -8.697 22.966 -19.619 0.60 50.19 ? 336 ALA a CA 1 ? ? +28937 ATOM C C A ALA U 1 326 ? -9.016 24.371 -19.144 0.40 51.34 ? 336 ALA a C 1 ? ? +28938 ATOM C C B ALA U 1 326 ? -9.065 24.351 -19.088 0.60 50.71 ? 336 ALA a C 1 ? ? +28939 ATOM O O A ALA U 1 326 ? -9.970 24.487 -18.378 0.40 51.68 ? 336 ALA a O 1 ? ? +28940 ATOM O O B ALA U 1 326 ? -10.017 24.479 -18.318 0.60 51.07 ? 336 ALA a O 1 ? ? +28941 ATOM C CB A ALA U 1 326 ? -8.194 22.118 -18.504 0.40 50.46 ? 336 ALA a CB 1 ? ? +28942 ATOM C CB B ALA U 1 326 ? -8.301 22.080 -18.456 0.60 49.83 ? 336 ALA a CB 1 ? ? +28943 ATOM N N A HIS U 1 327 ? -8.279 25.415 -19.537 0.40 51.43 ? 337 HIS a N 1 ? ? +28944 ATOM N N B HIS U 1 327 ? -8.316 25.385 -19.493 0.60 50.82 ? 337 HIS a N 1 ? ? +28945 ATOM C CA A HIS U 1 327 ? -8.534 26.750 -19.020 0.40 51.88 ? 337 HIS a CA 1 ? ? +28946 ATOM C CA B HIS U 1 327 ? -8.501 26.733 -18.976 0.60 51.26 ? 337 HIS a CA 1 ? ? +28947 ATOM C C A HIS U 1 327 ? -8.900 27.723 -20.134 0.40 52.29 ? 337 HIS a C 1 ? ? +28948 ATOM C C B HIS U 1 327 ? -8.896 27.686 -20.095 0.60 51.65 ? 337 HIS a C 1 ? ? +28949 ATOM O O A HIS U 1 327 ? -8.218 27.801 -21.150 0.40 52.09 ? 337 HIS a O 1 ? ? +28950 ATOM O O B HIS U 1 327 ? -8.222 27.773 -21.113 0.60 51.45 ? 337 HIS a O 1 ? ? +28951 ATOM C CB A HIS U 1 327 ? -7.322 27.293 -18.240 0.40 51.79 ? 337 HIS a CB 1 ? ? +28952 ATOM C CB B HIS U 1 327 ? -7.222 27.248 -18.306 0.60 51.17 ? 337 HIS a CB 1 ? ? +28953 ATOM C CG A HIS U 1 327 ? -6.692 26.310 -17.301 0.40 51.26 ? 337 HIS a CG 1 ? ? +28954 ATOM C CG B HIS U 1 327 ? -6.584 26.251 -17.391 0.60 50.65 ? 337 HIS a CG 1 ? ? +28955 ATOM N ND1 A HIS U 1 327 ? -5.802 25.365 -17.751 0.40 50.71 ? 337 HIS a ND1 1 ? ? +28956 ATOM N ND1 B HIS U 1 327 ? -5.666 25.350 -17.863 0.60 50.14 ? 337 HIS a ND1 1 ? ? +28957 ATOM C CD2 A HIS U 1 327 ? -6.817 26.187 -15.960 0.40 51.26 ? 337 HIS a CD2 1 ? ? +28958 ATOM C CD2 B HIS U 1 327 ? -6.810 26.006 -16.085 0.60 50.63 ? 337 HIS a CD2 1 ? ? +28959 ATOM C CE1 A HIS U 1 327 ? -5.432 24.675 -16.684 0.40 50.42 ? 337 HIS a CE1 1 ? ? +28960 ATOM C CE1 B HIS U 1 327 ? -5.328 24.606 -16.822 0.60 49.84 ? 337 HIS a CE1 1 ? ? +28961 ATOM N NE2 A HIS U 1 327 ? -6.028 25.138 -15.581 0.40 50.74 ? 337 HIS a NE2 1 ? ? +28962 ATOM N NE2 B HIS U 1 327 ? -6.000 24.972 -15.730 0.60 50.12 ? 337 HIS a NE2 1 ? ? +28963 ATOM N N A ASN U 1 328 ? -9.994 28.459 -19.915 0.40 52.87 ? 338 ASN a N 1 ? ? +28964 ATOM N N B ASN U 1 328 ? -10.012 28.386 -19.888 0.60 52.23 ? 338 ASN a N 1 ? ? +28965 ATOM C CA A ASN U 1 328 ? -10.495 29.427 -20.874 0.40 53.40 ? 338 ASN a CA 1 ? ? +28966 ATOM C CA B ASN U 1 328 ? -10.509 29.348 -20.853 0.60 52.76 ? 338 ASN a CA 1 ? ? +28967 ATOM C C A ASN U 1 328 ? -10.310 30.855 -20.371 0.40 54.01 ? 338 ASN a C 1 ? ? +28968 ATOM C C B ASN U 1 328 ? -10.276 30.775 -20.372 0.60 53.33 ? 338 ASN a C 1 ? ? +28969 ATOM O O A ASN U 1 328 ? -10.406 31.803 -21.145 0.40 54.44 ? 338 ASN a O 1 ? ? +28970 ATOM O O B ASN U 1 328 ? -10.281 31.700 -21.180 0.60 53.72 ? 338 ASN a O 1 ? ? +28971 ATOM C CB A ASN U 1 328 ? -11.975 29.167 -21.156 0.40 53.69 ? 338 ASN a CB 1 ? ? +28972 ATOM C CB B ASN U 1 328 ? -11.990 29.095 -21.110 0.60 53.03 ? 338 ASN a CB 1 ? ? +28973 ATOM C CG A ASN U 1 328 ? -12.224 27.858 -21.841 0.40 53.23 ? 338 ASN a CG 1 ? ? +28974 ATOM C CG B ASN U 1 328 ? -12.260 27.729 -21.669 0.60 52.56 ? 338 ASN a CG 1 ? ? +28975 ATOM O OD1 A ASN U 1 328 ? -11.335 27.273 -22.445 0.40 52.74 ? 338 ASN a OD1 1 ? ? +28976 ATOM O OD1 B ASN U 1 328 ? -11.362 26.947 -21.909 0.60 51.99 ? 338 ASN a OD1 1 ? ? +28977 ATOM N ND2 A ASN U 1 328 ? -13.447 27.382 -21.788 0.40 53.42 ? 338 ASN a ND2 1 ? ? +28978 ATOM N ND2 B ASN U 1 328 ? -13.506 27.411 -21.904 0.60 52.83 ? 338 ASN a ND2 1 ? ? +28979 ATOM N N A PHE U 1 329 ? -10.060 30.992 -19.065 0.40 54.11 ? 339 PHE a N 1 ? ? +28980 ATOM N N B PHE U 1 329 ? -10.066 30.933 -19.057 0.60 53.43 ? 339 PHE a N 1 ? ? +28981 ATOM C CA A PHE U 1 329 ? -9.980 32.296 -18.429 0.40 54.75 ? 339 PHE a CA 1 ? ? +28982 ATOM C CA B PHE U 1 329 ? -9.967 32.236 -18.422 0.60 54.06 ? 339 PHE a CA 1 ? ? +28983 ATOM C C A PHE U 1 329 ? -8.618 32.429 -17.752 0.40 54.64 ? 339 PHE a C 1 ? ? +28984 ATOM C C B PHE U 1 329 ? -8.602 32.356 -17.749 0.60 53.93 ? 339 PHE a C 1 ? ? +28985 ATOM O O A PHE U 1 329 ? -7.979 31.429 -17.440 0.40 54.10 ? 339 PHE a O 1 ? ? +28986 ATOM O O B PHE U 1 329 ? -7.983 31.346 -17.430 0.60 53.39 ? 339 PHE a O 1 ? ? +28987 ATOM C CB A PHE U 1 329 ? -11.168 32.471 -17.468 0.40 55.12 ? 339 PHE a CB 1 ? ? +28988 ATOM C CB B PHE U 1 329 ? -11.151 32.407 -17.455 0.60 54.44 ? 339 PHE a CB 1 ? ? +28989 ATOM C CG A PHE U 1 329 ? -12.492 32.180 -18.147 0.40 55.33 ? 339 PHE a CG 1 ? ? +28990 ATOM C CG B PHE U 1 329 ? -12.468 32.110 -18.145 0.60 54.64 ? 339 PHE a CG 1 ? ? +28991 ATOM C CD1 A PHE U 1 329 ? -12.890 32.898 -19.259 0.40 55.74 ? 339 PHE a CD1 1 ? ? +28992 ATOM C CD1 B PHE U 1 329 ? -12.849 32.810 -19.274 0.60 55.04 ? 339 PHE a CD1 1 ? ? +28993 ATOM C CD2 A PHE U 1 329 ? -13.315 31.169 -17.691 0.40 55.14 ? 339 PHE a CD2 1 ? ? +28994 ATOM C CD2 B PHE U 1 329 ? -13.288 31.095 -17.697 0.60 54.45 ? 339 PHE a CD2 1 ? ? +28995 ATOM C CE1 A PHE U 1 329 ? -14.093 32.616 -19.892 0.40 55.99 ? 339 PHE a CE1 1 ? ? +28996 ATOM C CE1 B PHE U 1 329 ? -14.038 32.514 -19.927 0.60 55.28 ? 339 PHE a CE1 1 ? ? +28997 ATOM C CE2 A PHE U 1 329 ? -14.512 30.889 -18.329 0.40 55.40 ? 339 PHE a CE2 1 ? ? +28998 ATOM C CE2 B PHE U 1 329 ? -14.475 30.803 -18.351 0.60 54.71 ? 339 PHE a CE2 1 ? ? +28999 ATOM C CZ A PHE U 1 329 ? -14.895 31.614 -19.425 0.40 55.82 ? 339 PHE a CZ 1 ? ? +29000 ATOM C CZ B PHE U 1 329 ? -14.843 31.513 -19.463 0.60 55.11 ? 339 PHE a CZ 1 ? ? +29001 ATOM N N A PRO U 1 330 ? -8.113 33.665 -17.535 0.40 55.25 ? 340 PRO a N 1 ? ? +29002 ATOM N N B PRO U 1 330 ? -8.073 33.586 -17.546 0.60 54.51 ? 340 PRO a N 1 ? ? +29003 ATOM C CA A PRO U 1 330 ? -6.690 33.869 -17.242 0.40 55.17 ? 340 PRO a CA 1 ? ? +29004 ATOM C CA B PRO U 1 330 ? -6.646 33.771 -17.244 0.60 54.39 ? 340 PRO a CA 1 ? ? +29005 ATOM C C A PRO U 1 330 ? -6.140 33.352 -15.913 0.40 55.04 ? 340 PRO a C 1 ? ? +29006 ATOM C C B PRO U 1 330 ? -6.098 33.219 -15.929 0.60 54.23 ? 340 PRO a C 1 ? ? +29007 ATOM O O A PRO U 1 330 ? -4.932 33.197 -15.786 0.40 54.87 ? 340 PRO a O 1 ? ? +29008 ATOM O O B PRO U 1 330 ? -4.903 32.965 -15.846 0.60 54.03 ? 340 PRO a O 1 ? ? +29009 ATOM C CB A PRO U 1 330 ? -6.532 35.391 -17.316 0.40 55.77 ? 340 PRO a CB 1 ? ? +29010 ATOM C CB B PRO U 1 330 ? -6.465 35.295 -17.296 0.60 54.99 ? 340 PRO a CB 1 ? ? +29011 ATOM C CG A PRO U 1 330 ? -7.918 35.948 -17.103 0.40 56.29 ? 340 PRO a CG 1 ? ? +29012 ATOM C CG B PRO U 1 330 ? -7.844 35.876 -17.156 0.60 55.53 ? 340 PRO a CG 1 ? ? +29013 ATOM C CD A PRO U 1 330 ? -8.880 34.919 -17.615 0.40 55.99 ? 340 PRO a CD 1 ? ? +29014 ATOM C CD B PRO U 1 330 ? -8.816 34.853 -17.657 0.60 55.23 ? 340 PRO a CD 1 ? ? +29015 ATOM N N A LEU U 1 331 ? -7.007 33.078 -14.933 0.40 55.34 ? 341 LEU a N 1 ? ? +29016 ATOM N N B LEU U 1 331 ? -6.954 33.015 -14.920 0.60 54.53 ? 341 LEU a N 1 ? ? +29017 ATOM C CA A LEU U 1 331 ? -6.558 32.640 -13.620 0.40 55.29 ? 341 LEU a CA 1 ? ? +29018 ATOM C CA B LEU U 1 331 ? -6.510 32.583 -13.601 0.60 54.47 ? 341 LEU a CA 1 ? ? +29019 ATOM C C A LEU U 1 331 ? -7.010 31.214 -13.308 0.40 55.07 ? 341 LEU a C 1 ? ? +29020 ATOM C C B LEU U 1 331 ? -6.975 31.169 -13.252 0.60 54.22 ? 341 LEU a C 1 ? ? +29021 ATOM O O A LEU U 1 331 ? -8.180 30.882 -13.478 0.40 55.12 ? 341 LEU a O 1 ? ? +29022 ATOM O O B LEU U 1 331 ? -8.171 30.889 -13.281 0.60 54.28 ? 341 LEU a O 1 ? ? +29023 ATOM C CB A LEU U 1 331 ? -7.097 33.589 -12.541 0.40 55.84 ? 341 LEU a CB 1 ? ? +29024 ATOM C CB B LEU U 1 331 ? -7.040 33.556 -12.540 0.60 55.03 ? 341 LEU a CB 1 ? ? +29025 ATOM C CG A LEU U 1 331 ? -6.805 35.074 -12.729 0.40 56.42 ? 341 LEU a CG 1 ? ? +29026 ATOM C CG B LEU U 1 331 ? -6.638 35.018 -12.703 0.60 55.60 ? 341 LEU a CG 1 ? ? +29027 ATOM C CD1 A LEU U 1 331 ? -7.364 35.886 -11.588 0.40 56.95 ? 341 LEU a CD1 1 ? ? +29028 ATOM C CD1 B LEU U 1 331 ? -7.349 35.892 -11.711 0.60 56.20 ? 341 LEU a CD1 1 ? ? +29029 ATOM C CD2 A LEU U 1 331 ? -5.325 35.331 -12.858 0.40 56.29 ? 341 LEU a CD2 1 ? ? +29030 ATOM C CD2 B LEU U 1 331 ? -5.141 35.200 -12.545 0.60 55.44 ? 341 LEU a CD2 1 ? ? +29031 ATOM N N A ASP U 1 332 ? -6.064 30.377 -12.855 0.40 54.94 ? 342 ASP a N 1 ? ? +29032 ATOM N N B ASP U 1 332 ? -6.016 30.284 -12.917 0.60 54.03 ? 342 ASP a N 1 ? ? +29033 ATOM C CA A ASP U 1 332 ? -6.366 29.032 -12.384 0.40 54.81 ? 342 ASP a CA 1 ? ? +29034 ATOM C CA B ASP U 1 332 ? -6.313 28.952 -12.401 0.60 53.89 ? 342 ASP a CA 1 ? ? +29035 ATOM C C A ASP U 1 332 ? -6.702 29.124 -10.897 0.40 55.14 ? 342 ASP a C 1 ? ? +29036 ATOM C C B ASP U 1 332 ? -6.654 29.098 -10.919 0.60 54.23 ? 342 ASP a C 1 ? ? +29037 ATOM O O A ASP U 1 332 ? -5.821 29.007 -10.052 0.40 54.99 ? 342 ASP a O 1 ? ? +29038 ATOM O O B ASP U 1 332 ? -5.774 29.047 -10.068 0.60 54.12 ? 342 ASP a O 1 ? ? +29039 ATOM C CB A ASP U 1 332 ? -5.188 28.060 -12.655 0.40 54.36 ? 342 ASP a CB 1 ? ? +29040 ATOM C CB B ASP U 1 332 ? -5.138 27.955 -12.641 0.60 53.42 ? 342 ASP a CB 1 ? ? +29041 ATOM C CG A ASP U 1 332 ? -5.454 26.560 -12.465 0.40 54.14 ? 342 ASP a CG 1 ? ? +29042 ATOM C CG B ASP U 1 332 ? -5.421 26.442 -12.464 0.60 53.22 ? 342 ASP a CG 1 ? ? +29043 ATOM O OD1 A ASP U 1 332 ? -6.626 26.180 -12.213 0.40 54.64 ? 342 ASP a OD1 1 ? ? +29044 ATOM O OD1 B ASP U 1 332 ? -6.612 26.045 -12.377 0.60 53.71 ? 342 ASP a OD1 1 ? ? +29045 ATOM O OD2 A ASP U 1 332 ? -4.495 25.772 -12.560 0.40 53.89 ? 342 ASP a OD2 1 ? ? +29046 ATOM O OD2 B ASP U 1 332 ? -4.457 25.658 -12.408 0.60 52.99 ? 342 ASP a OD2 1 ? ? +29047 ATOM N N A LEU U 1 333 ? -7.985 29.357 -10.591 0.40 55.68 ? 343 LEU a N 1 ? ? +29048 ATOM N N B LEU U 1 333 ? -7.942 29.318 -10.622 0.60 54.76 ? 343 LEU a N 1 ? ? +29049 ATOM C CA A LEU U 1 333 ? -8.420 29.625 -9.229 0.40 56.15 ? 343 LEU a CA 1 ? ? +29050 ATOM C CA B LEU U 1 333 ? -8.383 29.603 -9.266 0.60 55.21 ? 343 LEU a CA 1 ? ? +29051 ATOM C C A LEU U 1 333 ? -8.735 28.365 -8.426 0.40 56.13 ? 343 LEU a C 1 ? ? +29052 ATOM C C B LEU U 1 333 ? -8.685 28.339 -8.465 0.60 55.20 ? 343 LEU a C 1 ? ? +29053 ATOM O O A LEU U 1 333 ? -9.012 28.439 -7.232 0.40 56.50 ? 343 LEU a O 1 ? ? +29054 ATOM O O B LEU U 1 333 ? -8.977 28.413 -7.274 0.60 55.58 ? 343 LEU a O 1 ? ? +29055 ATOM C CB A LEU U 1 333 ? -9.650 30.529 -9.263 0.40 56.69 ? 343 LEU a CB 1 ? ? +29056 ATOM C CB B LEU U 1 333 ? -9.619 30.500 -9.301 0.60 55.74 ? 343 LEU a CB 1 ? ? +29057 ATOM C CG A LEU U 1 333 ? -9.402 31.932 -9.774 0.40 57.07 ? 343 LEU a CG 1 ? ? +29058 ATOM C CG B LEU U 1 333 ? -9.391 31.904 -9.822 0.60 56.12 ? 343 LEU a CG 1 ? ? +29059 ATOM C CD1 A LEU U 1 333 ? -10.674 32.760 -9.747 0.40 57.71 ? 343 LEU a CD1 1 ? ? +29060 ATOM C CD1 B LEU U 1 333 ? -10.689 32.713 -9.811 0.60 56.73 ? 343 LEU a CD1 1 ? ? +29061 ATOM C CD2 A LEU U 1 333 ? -8.304 32.616 -8.977 0.40 57.15 ? 343 LEU a CD2 1 ? ? +29062 ATOM C CD2 B LEU U 1 333 ? -8.325 32.625 -9.017 0.60 56.20 ? 343 LEU a CD2 1 ? ? +29063 ATOM N N A ALA U 1 334 ? -8.690 27.205 -9.086 0.40 55.92 ? 344 ALA a N 1 ? ? +29064 ATOM N N B ALA U 1 334 ? -8.611 27.177 -9.120 0.60 54.98 ? 344 ALA a N 1 ? ? +29065 ATOM C CA A ALA U 1 334 ? -8.821 25.928 -8.401 0.40 55.76 ? 344 ALA a CA 1 ? ? +29066 ATOM C CA B ALA U 1 334 ? -8.745 25.900 -8.437 0.60 54.81 ? 344 ALA a CA 1 ? ? +29067 ATOM C C A ALA U 1 334 ? -8.249 24.850 -9.292 0.40 55.32 ? 344 ALA a C 1 ? ? +29068 ATOM C C B ALA U 1 334 ? -8.156 24.818 -9.306 0.60 54.39 ? 344 ALA a C 1 ? ? +29069 ATOM O O A ALA U 1 334 ? -7.792 23.803 -8.819 0.40 55.27 ? 344 ALA a O 1 ? ? +29070 ATOM O O B ALA U 1 334 ? -7.756 23.753 -8.824 0.60 54.39 ? 344 ALA a O 1 ? ? +29071 ATOM C CB A ALA U 1 334 ? -10.279 25.631 -8.056 0.40 56.05 ? 344 ALA a CB 1 ? ? +29072 ATOM C CB B ALA U 1 334 ? -10.208 25.601 -8.127 0.60 55.07 ? 344 ALA a CB 1 ? ? +29073 ATOM O OXT A ALA U 1 334 ? -8.238 25.035 -10.501 0.40 55.32 ? 344 ALA a OXT 1 ? ? +29074 ATOM O OXT B ALA U 1 334 ? -8.069 25.015 -10.511 0.60 54.42 ? 344 ALA a OXT 1 ? ? +29075 ATOM N N . GLY V 2 1 ? 26.170 -23.226 8.793 1.00 55.49 ? 2 GLY b N 1 ? ? +29076 ATOM C CA . GLY V 2 1 ? 27.149 -23.160 7.721 1.00 55.03 ? 2 GLY b CA 1 ? ? +29077 ATOM C C . GLY V 2 1 ? 27.418 -21.720 7.303 1.00 54.62 ? 2 GLY b C 1 ? ? +29078 ATOM O O . GLY V 2 1 ? 26.835 -20.789 7.858 1.00 55.13 ? 2 GLY b O 1 ? ? +29079 ATOM N N . LEU V 2 2 ? 28.312 -21.562 6.323 1.00 53.83 ? 3 LEU b N 1 ? ? +29080 ATOM C CA . LEU V 2 2 ? 28.595 -20.271 5.729 1.00 53.01 ? 3 LEU b CA 1 ? ? +29081 ATOM C CB . LEU V 2 2 ? 29.661 -20.413 4.640 1.00 52.66 ? 3 LEU b CB 1 ? ? +29082 ATOM C CG . LEU V 2 2 ? 31.083 -20.569 5.103 1.00 53.10 ? 3 LEU b CG 1 ? ? +29083 ATOM C CD1 . LEU V 2 2 ? 31.983 -20.785 3.923 1.00 53.01 ? 3 LEU b CD1 1 ? ? +29084 ATOM C CD2 . LEU V 2 2 ? 31.543 -19.388 5.858 1.00 53.25 ? 3 LEU b CD2 1 ? ? +29085 ATOM C C . LEU V 2 2 ? 27.350 -19.667 5.089 1.00 52.23 ? 3 LEU b C 1 ? ? +29086 ATOM O O . LEU V 2 2 ? 26.673 -20.323 4.301 1.00 51.63 ? 3 LEU b O 1 ? ? +29087 ATOM N N . PRO V 2 3 ? 27.032 -18.386 5.374 1.00 52.03 ? 4 PRO b N 1 ? ? +29088 ATOM C CA . PRO V 2 3 ? 26.033 -17.664 4.591 1.00 51.48 ? 4 PRO b CA 1 ? ? +29089 ATOM C CB . PRO V 2 3 ? 25.849 -16.359 5.369 1.00 51.61 ? 4 PRO b CB 1 ? ? +29090 ATOM C CG . PRO V 2 3 ? 27.077 -16.242 6.195 1.00 52.17 ? 4 PRO b CG 1 ? ? +29091 ATOM C CD . PRO V 2 3 ? 27.555 -17.593 6.494 1.00 52.46 ? 4 PRO b CD 1 ? ? +29092 ATOM C C . PRO V 2 3 ? 26.522 -17.455 3.161 1.00 50.97 ? 4 PRO b C 1 ? ? +29093 ATOM O O . PRO V 2 3 ? 27.714 -17.530 2.882 1.00 51.60 ? 4 PRO b O 1 ? ? +29094 ATOM N N . TRP V 2 4 ? 25.591 -17.159 2.265 1.00 50.19 ? 5 TRP b N 1 ? ? +29095 ATOM C CA . TRP V 2 4 ? 25.885 -17.101 0.845 1.00 49.66 ? 5 TRP b CA 1 ? ? +29096 ATOM C CB . TRP V 2 4 ? 24.591 -16.851 0.022 1.00 49.27 ? 5 TRP b CB 1 ? ? +29097 ATOM C CG . TRP V 2 4 ? 23.998 -15.495 0.212 1.00 49.24 ? 5 TRP b CG 1 ? ? +29098 ATOM C CD1 . TRP V 2 4 ? 23.025 -15.147 1.090 1.00 49.46 ? 5 TRP b CD1 1 ? ? +29099 ATOM N NE1 . TRP V 2 4 ? 22.740 -13.810 0.974 1.00 49.47 ? 5 TRP b NE1 1 ? ? +29100 ATOM C CE2 . TRP V 2 4 ? 23.522 -13.274 -0.008 1.00 49.29 ? 5 TRP b CE2 1 ? ? +29101 ATOM C CZ2 . TRP V 2 4 ? 23.600 -11.967 -0.487 1.00 49.30 ? 5 TRP b CZ2 1 ? ? +29102 ATOM C CH2 . TRP V 2 4 ? 24.508 -11.716 -1.484 1.00 49.23 ? 5 TRP b CH2 1 ? ? +29103 ATOM C CZ3 . TRP V 2 4 ? 25.319 -12.731 -2.008 1.00 49.12 ? 5 TRP b CZ3 1 ? ? +29104 ATOM C CE3 . TRP V 2 4 ? 25.236 -14.026 -1.533 1.00 49.19 ? 5 TRP b CE3 1 ? ? +29105 ATOM C CD2 . TRP V 2 4 ? 24.322 -14.315 -0.516 1.00 49.18 ? 5 TRP b CD2 1 ? ? +29106 ATOM C C . TRP V 2 4 ? 26.938 -16.047 0.520 1.00 49.51 ? 5 TRP b C 1 ? ? +29107 ATOM O O . TRP V 2 4 ? 27.733 -16.248 -0.388 1.00 49.48 ? 5 TRP b O 1 ? ? +29108 ATOM N N A TYR V 2 5 ? 26.944 -14.948 1.285 0.40 49.56 ? 6 TYR b N 1 ? ? +29109 ATOM N N B TYR V 2 5 ? 26.925 -14.935 1.264 0.60 49.54 ? 6 TYR b N 1 ? ? +29110 ATOM C CA A TYR V 2 5 ? 27.812 -13.814 1.012 0.40 49.52 ? 6 TYR b CA 1 ? ? +29111 ATOM C CA B TYR V 2 5 ? 27.805 -13.804 1.009 0.60 49.51 ? 6 TYR b CA 1 ? ? +29112 ATOM C C A TYR V 2 5 ? 29.250 -14.032 1.491 0.40 50.01 ? 6 TYR b C 1 ? ? +29113 ATOM C C B TYR V 2 5 ? 29.231 -14.014 1.535 0.60 50.00 ? 6 TYR b C 1 ? ? +29114 ATOM O O A TYR V 2 5 ? 30.099 -13.167 1.289 0.40 50.09 ? 6 TYR b O 1 ? ? +29115 ATOM O O B TYR V 2 5 ? 30.061 -13.116 1.420 0.60 50.04 ? 6 TYR b O 1 ? ? +29116 ATOM C CB A TYR V 2 5 ? 27.218 -12.521 1.634 0.40 49.48 ? 6 TYR b CB 1 ? ? +29117 ATOM C CB B TYR V 2 5 ? 27.192 -12.487 1.594 0.60 49.47 ? 6 TYR b CB 1 ? ? +29118 ATOM C CG A TYR V 2 5 ? 26.710 -12.660 3.055 0.40 49.73 ? 6 TYR b CG 1 ? ? +29119 ATOM C CG B TYR V 2 5 ? 26.734 -12.587 3.035 0.60 49.77 ? 6 TYR b CG 1 ? ? +29120 ATOM C CD2 A TYR V 2 5 ? 27.518 -12.348 4.136 0.40 50.21 ? 6 TYR b CD2 1 ? ? +29121 ATOM C CD2 B TYR V 2 5 ? 25.442 -13.001 3.351 0.60 49.58 ? 6 TYR b CD2 1 ? ? +29122 ATOM C CD1 A TYR V 2 5 ? 25.420 -13.112 3.316 0.40 49.50 ? 6 TYR b CD1 1 ? ? +29123 ATOM C CD1 B TYR V 2 5 ? 27.575 -12.238 4.079 0.60 50.25 ? 6 TYR b CD1 1 ? ? +29124 ATOM C CE2 A TYR V 2 5 ? 27.064 -12.488 5.442 0.40 50.53 ? 6 TYR b CE2 1 ? ? +29125 ATOM C CE2 B TYR V 2 5 ? 25.020 -13.101 4.672 0.60 49.92 ? 6 TYR b CE2 1 ? ? +29126 ATOM C CE1 A TYR V 2 5 ? 24.948 -13.231 4.616 0.40 49.79 ? 6 TYR b CE1 1 ? ? +29127 ATOM C CE1 B TYR V 2 5 ? 27.165 -12.342 5.403 0.60 50.62 ? 6 TYR b CE1 1 ? ? +29128 ATOM C CZ A TYR V 2 5 ? 25.777 -12.928 5.678 0.40 50.32 ? 6 TYR b CZ 1 ? ? +29129 ATOM C CZ B TYR V 2 5 ? 25.886 -12.770 5.695 0.60 50.47 ? 6 TYR b CZ 1 ? ? +29130 ATOM O OH A TYR V 2 5 ? 25.329 -13.065 6.969 0.40 50.66 ? 6 TYR b OH 1 ? ? +29131 ATOM O OH B TYR V 2 5 ? 25.486 -12.875 7.002 0.60 50.98 ? 6 TYR b OH 1 ? ? +29132 ATOM N N . ARG V 2 6 ? 29.511 -15.197 2.103 1.00 50.28 ? 7 ARG b N 1 ? ? +29133 ATOM C CA . ARG V 2 6 ? 30.841 -15.537 2.596 1.00 50.92 ? 7 ARG b CA 1 ? ? +29134 ATOM C CB . ARG V 2 6 ? 30.799 -15.716 4.121 1.00 51.53 ? 7 ARG b CB 1 ? ? +29135 ATOM C CG . ARG V 2 6 ? 30.500 -14.464 4.869 1.00 51.71 ? 7 ARG b CG 1 ? ? +29136 ATOM C CD . ARG V 2 6 ? 30.662 -14.716 6.327 1.00 52.35 ? 7 ARG b CD 1 ? ? +29137 ATOM N NE . ARG V 2 6 ? 30.237 -13.557 7.098 1.00 52.68 ? 7 ARG b NE 1 ? ? +29138 ATOM C CZ . ARG V 2 6 ? 29.862 -13.603 8.366 1.00 53.13 ? 7 ARG b CZ 1 ? ? +29139 ATOM N NH1 . ARG V 2 6 ? 30.124 -14.651 9.127 1.00 53.52 ? 7 ARG b NH1 1 ? ? +29140 ATOM N NH2 . ARG V 2 6 ? 29.203 -12.572 8.884 1.00 53.29 ? 7 ARG b NH2 1 ? ? +29141 ATOM C C . ARG V 2 6 ? 31.479 -16.803 2.019 1.00 50.79 ? 7 ARG b C 1 ? ? +29142 ATOM O O . ARG V 2 6 ? 32.548 -17.202 2.486 1.00 51.21 ? 7 ARG b O 1 ? ? +29143 ATOM N N . VAL V 2 7 ? 30.836 -17.421 1.012 1.00 50.09 ? 8 VAL b N 1 ? ? +29144 ATOM C CA . VAL V 2 7 ? 31.326 -18.682 0.468 1.00 49.93 ? 8 VAL b CA 1 ? ? +29145 ATOM C CB . VAL V 2 7 ? 30.474 -19.213 -0.700 1.00 49.18 ? 8 VAL b CB 1 ? ? +29146 ATOM C CG1 . VAL V 2 7 ? 29.168 -19.774 -0.201 1.00 49.11 ? 8 VAL b CG1 1 ? ? +29147 ATOM C CG2 . VAL V 2 7 ? 30.250 -18.170 -1.769 1.00 48.72 ? 8 VAL b CG2 1 ? ? +29148 ATOM C C . VAL V 2 7 ? 32.801 -18.646 0.043 1.00 50.13 ? 8 VAL b C 1 ? ? +29149 ATOM O O . VAL V 2 7 ? 33.499 -19.648 0.163 1.00 50.36 ? 8 VAL b O 1 ? ? +29150 ATOM N N . HIS V 2 8 ? 33.268 -17.501 -0.460 1.00 49.98 ? 9 HIS b N 1 ? ? +29151 ATOM C CA . HIS V 2 8 ? 34.615 -17.401 -0.997 1.00 50.23 ? 9 HIS b CA 1 ? ? +29152 ATOM C CB . HIS V 2 8 ? 34.692 -16.250 -1.989 1.00 49.79 ? 9 HIS b CB 1 ? ? +29153 ATOM C CG . HIS V 2 8 ? 33.951 -16.521 -3.260 1.00 48.97 ? 9 HIS b CG 1 ? ? +29154 ATOM N ND1 . HIS V 2 8 ? 33.651 -15.522 -4.133 1.00 48.55 ? 9 HIS b ND1 1 ? ? +29155 ATOM C CE1 . HIS V 2 8 ? 33.034 -16.093 -5.150 1.00 47.98 ? 9 HIS b CE1 1 ? ? +29156 ATOM N NE2 . HIS V 2 8 ? 32.929 -17.392 -4.965 1.00 47.97 ? 9 HIS b NE2 1 ? ? +29157 ATOM C CD2 . HIS V 2 8 ? 33.490 -17.679 -3.758 1.00 48.57 ? 9 HIS b CD2 1 ? ? +29158 ATOM C C . HIS V 2 8 ? 35.717 -17.239 0.045 1.00 51.07 ? 9 HIS b C 1 ? ? +29159 ATOM O O . HIS V 2 8 ? 36.896 -17.303 -0.310 1.00 51.42 ? 9 HIS b O 1 ? ? +29160 ATOM N N . THR V 2 9 ? 35.328 -17.076 1.320 1.00 51.45 ? 10 THR b N 1 ? ? +29161 ATOM C CA . THR V 2 9 ? 36.286 -16.974 2.411 1.00 52.22 ? 10 THR b CA 1 ? ? +29162 ATOM C CB . THR V 2 9 ? 35.592 -16.546 3.735 1.00 52.37 ? 10 THR b CB 1 ? ? +29163 ATOM O OG1 . THR V 2 9 ? 34.638 -17.519 4.111 1.00 52.11 ? 10 THR b OG1 1 ? ? +29164 ATOM C CG2 . THR V 2 9 ? 34.923 -15.209 3.635 1.00 52.11 ? 10 THR b CG2 1 ? ? +29165 ATOM C C . THR V 2 9 ? 37.088 -18.253 2.666 1.00 52.73 ? 10 THR b C 1 ? ? +29166 ATOM O O . THR V 2 9 ? 38.026 -18.231 3.450 1.00 53.15 ? 10 THR b O 1 ? ? +29167 ATOM N N . VAL V 2 10 ? 36.699 -19.367 2.026 1.00 52.62 ? 11 VAL b N 1 ? ? +29168 ATOM C CA . VAL V 2 10 ? 37.399 -20.635 2.180 1.00 53.13 ? 11 VAL b CA 1 ? ? +29169 ATOM C CB . VAL V 2 10 ? 36.576 -21.814 1.639 1.00 52.64 ? 11 VAL b CB 1 ? ? +29170 ATOM C CG1 . VAL V 2 10 ? 35.244 -21.908 2.362 1.00 52.52 ? 11 VAL b CG1 1 ? ? +29171 ATOM C CG2 . VAL V 2 10 ? 36.399 -21.726 0.128 1.00 52.00 ? 11 VAL b CG2 1 ? ? +29172 ATOM C C . VAL V 2 10 ? 38.763 -20.637 1.496 1.00 53.67 ? 11 VAL b C 1 ? ? +29173 ATOM O O . VAL V 2 10 ? 39.531 -21.587 1.644 1.00 54.03 ? 11 VAL b O 1 ? ? +29174 ATOM N N . LEU V 2 11 ? 39.019 -19.595 0.703 1.00 53.77 ? 12 LEU b N 1 ? ? +29175 ATOM C CA . LEU V 2 11 ? 40.290 -19.438 0.029 1.00 54.39 ? 12 LEU b CA 1 ? ? +29176 ATOM C CB . LEU V 2 11 ? 40.079 -18.684 -1.282 1.00 53.85 ? 12 LEU b CB 1 ? ? +29177 ATOM C CG . LEU V 2 11 ? 39.175 -19.329 -2.305 1.00 53.15 ? 12 LEU b CG 1 ? ? +29178 ATOM C CD1 . LEU V 2 11 ? 38.984 -18.423 -3.465 1.00 52.74 ? 12 LEU b CD1 1 ? ? +29179 ATOM C CD2 . LEU V 2 11 ? 39.718 -20.645 -2.813 1.00 53.29 ? 12 LEU b CD2 1 ? ? +29180 ATOM C C . LEU V 2 11 ? 41.329 -18.686 0.852 1.00 55.44 ? 12 LEU b C 1 ? ? +29181 ATOM O O . LEU V 2 11 ? 42.490 -18.705 0.473 1.00 56.08 ? 12 LEU b O 1 ? ? +29182 ATOM N N . ILE V 2 12 ? 40.929 -18.039 1.955 1.00 56.00 ? 13 ILE b N 1 ? ? +29183 ATOM C CA . ILE V 2 12 ? 41.807 -17.105 2.650 1.00 57.21 ? 13 ILE b CA 1 ? ? +29184 ATOM C CB . ILE V 2 12 ? 41.066 -16.428 3.835 1.00 57.39 ? 13 ILE b CB 1 ? ? +29185 ATOM C CG1 . ILE V 2 12 ? 39.887 -15.581 3.359 1.00 56.93 ? 13 ILE b CG1 1 ? ? +29186 ATOM C CG2 . ILE V 2 12 ? 42.000 -15.557 4.636 1.00 58.07 ? 13 ILE b CG2 1 ? ? +29187 ATOM C CD1 . ILE V 2 12 ? 39.001 -14.972 4.487 1.00 56.96 ? 13 ILE b CD1 1 ? ? +29188 ATOM C C . ILE V 2 12 ? 43.124 -17.733 3.121 1.00 58.44 ? 13 ILE b C 1 ? ? +29189 ATOM O O . ILE V 2 12 ? 44.169 -17.094 3.068 1.00 59.28 ? 13 ILE b O 1 ? ? +29190 ATOM N N . ASN V 2 13 ? 43.063 -18.983 3.587 1.00 59.18 ? 14 ASN b N 1 ? ? +29191 ATOM C CA . ASN V 2 13 ? 44.230 -19.712 4.045 1.00 60.60 ? 14 ASN b CA 1 ? ? +29192 ATOM C CB . ASN V 2 13 ? 43.997 -20.171 5.491 1.00 62.22 ? 14 ASN b CB 1 ? ? +29193 ATOM C CG . ASN V 2 13 ? 44.060 -19.012 6.466 1.00 63.88 ? 14 ASN b CG 1 ? ? +29194 ATOM O OD1 . ASN V 2 13 ? 43.052 -18.634 7.090 1.00 64.56 ? 14 ASN b OD1 1 ? ? +29195 ATOM N ND2 . ASN V 2 13 ? 45.260 -18.395 6.589 1.00 65.02 ? 14 ASN b ND2 1 ? ? +29196 ATOM C C . ASN V 2 13 ? 44.590 -20.897 3.154 1.00 59.87 ? 14 ASN b C 1 ? ? +29197 ATOM O O . ASN V 2 13 ? 45.102 -21.907 3.627 1.00 60.35 ? 14 ASN b O 1 ? ? +29198 ATOM N N . ASP V 2 14 ? 44.341 -20.743 1.854 1.00 58.78 ? 15 ASP b N 1 ? ? +29199 ATOM C CA . ASP V 2 14 ? 44.605 -21.789 0.881 1.00 58.24 ? 15 ASP b CA 1 ? ? +29200 ATOM C CB . ASP V 2 14 ? 43.307 -22.571 0.562 1.00 57.64 ? 15 ASP b CB 1 ? ? +29201 ATOM C CG . ASP V 2 14 ? 43.456 -23.834 -0.252 1.00 57.65 ? 15 ASP b CG 1 ? ? +29202 ATOM O OD1 . ASP V 2 14 ? 44.497 -24.027 -0.845 1.00 58.39 ? 15 ASP b OD1 1 ? ? +29203 ATOM O OD2 . ASP V 2 14 ? 42.518 -24.625 -0.289 1.00 57.55 ? 15 ASP b OD2 1 ? ? +29204 ATOM C C . ASP V 2 14 ? 45.221 -21.104 -0.336 1.00 57.66 ? 15 ASP b C 1 ? ? +29205 ATOM O O . ASP V 2 14 ? 44.548 -20.856 -1.331 1.00 57.06 ? 15 ASP b O 1 ? ? +29206 ATOM N N . PRO V 2 15 ? 46.522 -20.749 -0.286 1.00 57.83 ? 16 PRO b N 1 ? ? +29207 ATOM C CA . PRO V 2 15 ? 47.164 -20.028 -1.385 1.00 57.50 ? 16 PRO b CA 1 ? ? +29208 ATOM C CB . PRO V 2 15 ? 48.631 -19.941 -0.928 1.00 58.39 ? 16 PRO b CB 1 ? ? +29209 ATOM C CG . PRO V 2 15 ? 48.550 -20.034 0.570 1.00 58.88 ? 16 PRO b CG 1 ? ? +29210 ATOM C CD . PRO V 2 15 ? 47.444 -21.005 0.832 1.00 58.54 ? 16 PRO b CD 1 ? ? +29211 ATOM C C . PRO V 2 15 ? 47.011 -20.729 -2.731 1.00 56.74 ? 16 PRO b C 1 ? ? +29212 ATOM O O . PRO V 2 15 ? 46.742 -20.075 -3.732 1.00 56.27 ? 16 PRO b O 1 ? ? +29213 ATOM N N . GLY V 2 16 ? 47.167 -22.058 -2.743 1.00 56.56 ? 17 GLY b N 1 ? ? +29214 ATOM C CA . GLY V 2 16 ? 47.018 -22.826 -3.967 1.00 55.92 ? 17 GLY b CA 1 ? ? +29215 ATOM C C . GLY V 2 16 ? 45.666 -22.617 -4.654 1.00 54.84 ? 17 GLY b C 1 ? ? +29216 ATOM O O . GLY V 2 16 ? 45.609 -22.374 -5.855 1.00 54.38 ? 17 GLY b O 1 ? ? +29217 ATOM N N . ARG V 2 17 ? 44.572 -22.713 -3.896 1.00 54.37 ? 18 ARG b N 1 ? ? +29218 ATOM C CA . ARG V 2 17 ? 43.249 -22.529 -4.479 1.00 53.57 ? 18 ARG b CA 1 ? ? +29219 ATOM C CB . ARG V 2 17 ? 42.170 -23.201 -3.621 1.00 53.74 ? 18 ARG b CB 1 ? ? +29220 ATOM C CG . ARG V 2 17 ? 42.309 -24.696 -3.721 1.00 54.29 ? 18 ARG b CG 1 ? ? +29221 ATOM C CD . ARG V 2 17 ? 41.150 -25.452 -3.217 1.00 54.28 ? 18 ARG b CD 1 ? ? +29222 ATOM N NE . ARG V 2 17 ? 41.297 -26.876 -3.491 1.00 54.77 ? 18 ARG b NE 1 ? ? +29223 ATOM C CZ . ARG V 2 17 ? 40.336 -27.769 -3.298 1.00 54.94 ? 18 ARG b CZ 1 ? ? +29224 ATOM N NH1 . ARG V 2 17 ? 39.262 -27.483 -2.575 1.00 54.71 ? 18 ARG b NH1 1 ? ? +29225 ATOM N NH2 . ARG V 2 17 ? 40.445 -28.970 -3.859 1.00 55.09 ? 18 ARG b NH2 1 ? ? +29226 ATOM C C . ARG V 2 17 ? 42.909 -21.064 -4.715 1.00 52.80 ? 18 ARG b C 1 ? ? +29227 ATOM O O . ARG V 2 17 ? 42.120 -20.745 -5.598 1.00 52.16 ? 18 ARG b O 1 ? ? +29228 ATOM N N . LEU V 2 18 ? 43.521 -20.170 -3.942 1.00 52.90 ? 19 LEU b N 1 ? ? +29229 ATOM C CA . LEU V 2 18 ? 43.413 -18.756 -4.245 1.00 52.48 ? 19 LEU b CA 1 ? ? +29230 ATOM C CB . LEU V 2 18 ? 44.096 -17.932 -3.169 1.00 53.10 ? 19 LEU b CB 1 ? ? +29231 ATOM C CG . LEU V 2 18 ? 44.010 -16.429 -3.349 1.00 53.01 ? 19 LEU b CG 1 ? ? +29232 ATOM C CD1 . LEU V 2 18 ? 42.667 -15.923 -3.043 1.00 52.51 ? 19 LEU b CD1 1 ? ? +29233 ATOM C CD2 . LEU V 2 18 ? 45.014 -15.716 -2.474 1.00 53.77 ? 19 LEU b CD2 1 ? ? +29234 ATOM C C . LEU V 2 18 ? 44.001 -18.496 -5.632 1.00 52.12 ? 19 LEU b C 1 ? ? +29235 ATOM O O . LEU V 2 18 ? 43.350 -17.882 -6.474 1.00 51.49 ? 19 LEU b O 1 ? ? +29236 ATOM N N . ILE V 2 19 ? 45.213 -19.011 -5.888 1.00 52.36 ? 20 ILE b N 1 ? ? +29237 ATOM C CA . ILE V 2 19 ? 45.817 -18.898 -7.207 1.00 52.10 ? 20 ILE b CA 1 ? ? +29238 ATOM C CB . ILE V 2 19 ? 47.218 -19.547 -7.233 1.00 52.71 ? 20 ILE b CB 1 ? ? +29239 ATOM C CG1 . ILE V 2 19 ? 48.207 -18.732 -6.382 1.00 53.41 ? 20 ILE b CG1 1 ? ? +29240 ATOM C CG2 . ILE V 2 19 ? 47.717 -19.726 -8.665 1.00 52.55 ? 20 ILE b CG2 1 ? ? +29241 ATOM C CD1 . ILE V 2 19 ? 49.430 -19.417 -6.089 1.00 54.13 ? 20 ILE b CD1 1 ? ? +29242 ATOM C C . ILE V 2 19 ? 44.909 -19.488 -8.283 1.00 51.30 ? 20 ILE b C 1 ? ? +29243 ATOM O O . ILE V 2 19 ? 44.745 -18.907 -9.349 1.00 50.98 ? 20 ILE b O 1 ? ? +29244 ATOM N N . ALA V 2 20 ? 44.331 -20.660 -8.011 1.00 51.06 ? 21 ALA b N 1 ? ? +29245 ATOM C CA . ALA V 2 20 ? 43.391 -21.269 -8.942 1.00 50.39 ? 21 ALA b CA 1 ? ? +29246 ATOM C CB . ALA V 2 20 ? 42.880 -22.599 -8.408 1.00 50.35 ? 21 ALA b CB 1 ? ? +29247 ATOM C C . ALA V 2 20 ? 42.205 -20.364 -9.249 1.00 49.67 ? 21 ALA b C 1 ? ? +29248 ATOM O O . ALA V 2 20 ? 41.768 -20.285 -10.391 1.00 49.23 ? 21 ALA b O 1 ? ? +29249 ATOM N N . ALA V 2 21 ? 41.685 -19.691 -8.221 1.00 49.65 ? 22 ALA b N 1 ? ? +29250 ATOM C CA . ALA V 2 21 ? 40.543 -18.798 -8.395 1.00 49.10 ? 22 ALA b CA 1 ? ? +29251 ATOM C CB . ALA V 2 21 ? 39.979 -18.377 -7.047 1.00 49.18 ? 22 ALA b CB 1 ? ? +29252 ATOM C C . ALA V 2 21 ? 40.950 -17.568 -9.202 1.00 49.03 ? 22 ALA b C 1 ? ? +29253 ATOM O O . ALA V 2 21 ? 40.175 -17.080 -10.016 1.00 48.45 ? 22 ALA b O 1 ? ? +29254 ATOM N N . HIS V 2 22 ? 42.182 -17.092 -8.968 1.00 49.61 ? 23 HIS b N 1 ? ? +29255 ATOM C CA . HIS V 2 22 ? 42.734 -15.978 -9.720 1.00 49.67 ? 23 HIS b CA 1 ? ? +29256 ATOM C CB . HIS V 2 22 ? 43.983 -15.439 -9.014 1.00 50.44 ? 23 HIS b CB 1 ? ? +29257 ATOM C CG . HIS V 2 22 ? 43.680 -14.695 -7.748 1.00 50.62 ? 23 HIS b CG 1 ? ? +29258 ATOM N ND1 . HIS V 2 22 ? 44.686 -14.204 -6.945 1.00 51.22 ? 23 HIS b ND1 1 ? ? +29259 ATOM C CE1 . HIS V 2 22 ? 44.080 -13.609 -5.929 1.00 51.25 ? 23 HIS b CE1 1 ? ? +29260 ATOM N NE2 . HIS V 2 22 ? 42.733 -13.698 -6.042 1.00 50.66 ? 23 HIS b NE2 1 ? ? +29261 ATOM C CD2 . HIS V 2 22 ? 42.474 -14.373 -7.204 1.00 50.23 ? 23 HIS b CD2 1 ? ? +29262 ATOM C C . HIS V 2 22 ? 43.002 -16.357 -11.177 1.00 49.47 ? 23 HIS b C 1 ? ? +29263 ATOM O O . HIS V 2 22 ? 42.771 -15.554 -12.080 1.00 49.24 ? 23 HIS b O 1 ? ? +29264 ATOM N N . LEU V 2 23 ? 43.445 -17.597 -11.411 1.00 49.59 ? 24 LEU b N 1 ? ? +29265 ATOM C CA . LEU V 2 23 ? 43.620 -18.097 -12.765 1.00 49.37 ? 24 LEU b CA 1 ? ? +29266 ATOM C CB . LEU V 2 23 ? 44.309 -19.467 -12.727 1.00 49.74 ? 24 LEU b CB 1 ? ? +29267 ATOM C CG . LEU V 2 23 ? 45.814 -19.423 -12.418 1.00 50.61 ? 24 LEU b CG 1 ? ? +29268 ATOM C CD1 . LEU V 2 23 ? 46.381 -20.834 -12.207 1.00 50.98 ? 24 LEU b CD1 1 ? ? +29269 ATOM C CD2 . LEU V 2 23 ? 46.598 -18.716 -13.524 1.00 50.78 ? 24 LEU b CD2 1 ? ? +29270 ATOM C C . LEU V 2 23 ? 42.278 -18.175 -13.492 1.00 48.61 ? 24 LEU b C 1 ? ? +29271 ATOM O O . LEU V 2 23 ? 42.168 -17.814 -14.661 1.00 48.25 ? 24 LEU b O 1 ? ? +29272 ATOM N N . MET V 2 24 ? 41.236 -18.623 -12.794 1.00 48.35 ? 25 MET b N 1 ? ? +29273 ATOM C CA . MET V 2 24 ? 39.943 -18.801 -13.442 1.00 47.71 ? 25 MET b CA 1 ? ? +29274 ATOM C CB . MET V 2 24 ? 38.982 -19.573 -12.548 1.00 47.64 ? 25 MET b CB 1 ? ? +29275 ATOM C CG . MET V 2 24 ? 37.645 -19.871 -13.203 1.00 47.12 ? 25 MET b CG 1 ? ? +29276 ATOM S SD . MET V 2 24 ? 37.768 -20.834 -14.755 1.00 47.07 ? 25 MET b SD 1 ? ? +29277 ATOM C CE . MET V 2 24 ? 38.357 -22.353 -14.051 1.00 47.47 ? 25 MET b CE 1 ? ? +29278 ATOM C C . MET V 2 24 ? 39.388 -17.431 -13.811 1.00 47.35 ? 25 MET b C 1 ? ? +29279 ATOM O O . MET V 2 24 ? 38.914 -17.245 -14.922 1.00 46.96 ? 25 MET b O 1 ? ? +29280 ATOM N N . HIS V 2 25 ? 39.489 -16.462 -12.892 1.00 47.57 ? 26 HIS b N 1 ? ? +29281 ATOM C CA . HIS V 2 25 ? 39.051 -15.100 -13.166 1.00 47.34 ? 26 HIS b CA 1 ? ? +29282 ATOM C CB . HIS V 2 25 ? 39.279 -14.190 -11.958 1.00 47.70 ? 26 HIS b CB 1 ? ? +29283 ATOM C CG . HIS V 2 25 ? 38.713 -12.811 -12.121 1.00 47.54 ? 26 HIS b CG 1 ? ? +29284 ATOM N ND1 . HIS V 2 25 ? 39.507 -11.755 -12.459 1.00 47.88 ? 26 HIS b ND1 1 ? ? +29285 ATOM C CE1 . HIS V 2 25 ? 38.709 -10.695 -12.544 1.00 47.61 ? 26 HIS b CE1 1 ? ? +29286 ATOM N NE2 . HIS V 2 25 ? 37.452 -11.024 -12.285 1.00 47.12 ? 26 HIS b NE2 1 ? ? +29287 ATOM C CD2 . HIS V 2 25 ? 37.433 -12.368 -12.028 1.00 47.12 ? 26 HIS b CD2 1 ? ? +29288 ATOM C C . HIS V 2 25 ? 39.770 -14.513 -14.376 1.00 47.42 ? 26 HIS b C 1 ? ? +29289 ATOM O O . HIS V 2 25 ? 39.153 -13.905 -15.239 1.00 47.00 ? 26 HIS b O 1 ? ? +29290 ATOM N N . THR V 2 26 ? 41.088 -14.711 -14.439 1.00 47.96 ? 27 THR b N 1 ? ? +29291 ATOM C CA . THR V 2 26 ? 41.880 -14.199 -15.543 1.00 48.15 ? 27 THR b CA 1 ? ? +29292 ATOM C CB . THR V 2 26 ? 43.399 -14.383 -15.272 1.00 48.76 ? 27 THR b CB 1 ? ? +29293 ATOM O OG1 . THR V 2 26 ? 43.679 -13.857 -13.983 1.00 49.06 ? 27 THR b OG1 1 ? ? +29294 ATOM C CG2 . THR V 2 26 ? 44.243 -13.696 -16.298 1.00 49.01 ? 27 THR b CG2 1 ? ? +29295 ATOM C C . THR V 2 26 ? 41.443 -14.857 -16.844 1.00 47.86 ? 27 THR b C 1 ? ? +29296 ATOM O O . THR V 2 26 ? 41.343 -14.182 -17.860 1.00 47.67 ? 27 THR b O 1 ? ? +29297 ATOM N N . ALA V 2 27 ? 41.195 -16.171 -16.801 1.00 47.97 ? 28 ALA b N 1 ? ? +29298 ATOM C CA . ALA V 2 27 ? 40.666 -16.894 -17.946 1.00 47.93 ? 28 ALA b CA 1 ? ? +29299 ATOM C CB . ALA V 2 27 ? 40.423 -18.356 -17.595 1.00 47.84 ? 28 ALA b CB 1 ? ? +29300 ATOM C C . ALA V 2 27 ? 39.360 -16.292 -18.453 1.00 47.78 ? 28 ALA b C 1 ? ? +29301 ATOM O O . ALA V 2 27 ? 39.155 -16.158 -19.658 1.00 47.60 ? 28 ALA b O 1 ? ? +29302 ATOM N N . LEU V 2 28 ? 38.471 -15.955 -17.517 1.00 48.12 ? 29 LEU b N 1 ? ? +29303 ATOM C CA . LEU V 2 28 ? 37.167 -15.411 -17.867 1.00 48.14 ? 29 LEU b CA 1 ? ? +29304 ATOM C CB . LEU V 2 28 ? 36.288 -15.329 -16.616 1.00 48.44 ? 29 LEU b CB 1 ? ? +29305 ATOM C CG . LEU V 2 28 ? 35.752 -16.649 -16.141 1.00 48.85 ? 29 LEU b CG 1 ? ? +29306 ATOM C CD1 . LEU V 2 28 ? 35.060 -16.526 -14.788 1.00 49.15 ? 29 LEU b CD1 1 ? ? +29307 ATOM C CD2 . LEU V 2 28 ? 34.727 -17.196 -17.106 1.00 48.82 ? 29 LEU b CD2 1 ? ? +29308 ATOM C C . LEU V 2 28 ? 37.297 -14.033 -18.510 1.00 48.13 ? 29 LEU b C 1 ? ? +29309 ATOM O O . LEU V 2 28 ? 36.597 -13.727 -19.470 1.00 48.02 ? 29 LEU b O 1 ? ? +29310 ATOM N N . VAL V 2 29 ? 38.206 -13.209 -17.989 1.00 48.46 ? 30 VAL b N 1 ? ? +29311 ATOM C CA . VAL V 2 29 ? 38.360 -11.860 -18.499 1.00 48.47 ? 30 VAL b CA 1 ? ? +29312 ATOM C CB . VAL V 2 29 ? 39.130 -10.982 -17.513 1.00 49.07 ? 30 VAL b CB 1 ? ? +29313 ATOM C CG1 . VAL V 2 29 ? 39.378 -9.597 -18.105 1.00 49.28 ? 30 VAL b CG1 1 ? ? +29314 ATOM C CG2 . VAL V 2 29 ? 38.392 -10.873 -16.180 1.00 48.99 ? 30 VAL b CG2 1 ? ? +29315 ATOM C C . VAL V 2 29 ? 38.991 -11.867 -19.890 1.00 48.47 ? 30 VAL b C 1 ? ? +29316 ATOM O O . VAL V 2 29 ? 38.563 -11.115 -20.760 1.00 48.40 ? 30 VAL b O 1 ? ? +29317 ATOM N N . ALA V 2 30 ? 40.008 -12.715 -20.102 1.00 48.56 ? 31 ALA b N 1 ? ? +29318 ATOM C CA . ALA V 2 30 ? 40.607 -12.878 -21.420 1.00 48.35 ? 31 ALA b CA 1 ? ? +29319 ATOM C CB . ALA V 2 30 ? 41.844 -13.746 -21.327 1.00 48.75 ? 31 ALA b CB 1 ? ? +29320 ATOM C C . ALA V 2 30 ? 39.600 -13.476 -22.405 1.00 47.56 ? 31 ALA b C 1 ? ? +29321 ATOM O O . ALA V 2 30 ? 39.544 -13.105 -23.572 1.00 47.35 ? 31 ALA b O 1 ? ? +29322 ATOM N N . GLY V 2 31 ? 38.797 -14.417 -21.923 1.00 47.12 ? 32 GLY b N 1 ? ? +29323 ATOM C CA . GLY V 2 31 ? 37.706 -14.975 -22.716 1.00 46.54 ? 32 GLY b CA 1 ? ? +29324 ATOM C C . GLY V 2 31 ? 36.697 -13.926 -23.184 1.00 45.98 ? 32 GLY b C 1 ? ? +29325 ATOM O O . GLY V 2 31 ? 36.263 -13.939 -24.335 1.00 45.64 ? 32 GLY b O 1 ? ? +29326 ATOM N N . TRP V 2 32 ? 36.362 -12.999 -22.286 1.00 45.88 ? 33 TRP b N 1 ? ? +29327 ATOM C CA . TRP V 2 32 ? 35.487 -11.890 -22.618 1.00 45.60 ? 33 TRP b CA 1 ? ? +29328 ATOM C CB . TRP V 2 32 ? 35.205 -11.021 -21.383 1.00 45.75 ? 33 TRP b CB 1 ? ? +29329 ATOM C CG . TRP V 2 32 ? 34.379 -9.840 -21.747 1.00 45.60 ? 33 TRP b CG 1 ? ? +29330 ATOM C CD1 . TRP V 2 32 ? 33.029 -9.819 -21.920 1.00 45.24 ? 33 TRP b CD1 1 ? ? +29331 ATOM N NE1 . TRP V 2 32 ? 32.623 -8.566 -22.302 1.00 45.23 ? 33 TRP b NE1 1 ? ? +29332 ATOM C CE2 . TRP V 2 32 ? 33.721 -7.757 -22.414 1.00 45.61 ? 33 TRP b CE2 1 ? ? +29333 ATOM C CZ2 . TRP V 2 32 ? 33.817 -6.415 -22.760 1.00 45.82 ? 33 TRP b CZ2 1 ? ? +29334 ATOM C CH2 . TRP V 2 32 ? 35.086 -5.859 -22.793 1.00 46.35 ? 33 TRP b CH2 1 ? ? +29335 ATOM C CZ3 . TRP V 2 32 ? 36.227 -6.603 -22.450 1.00 46.58 ? 33 TRP b CZ3 1 ? ? +29336 ATOM C CE3 . TRP V 2 32 ? 36.123 -7.930 -22.091 1.00 46.40 ? 33 TRP b CE3 1 ? ? +29337 ATOM C CD2 . TRP V 2 32 ? 34.849 -8.532 -22.071 1.00 45.86 ? 33 TRP b CD2 1 ? ? +29338 ATOM C C . TRP V 2 32 ? 36.070 -11.000 -23.713 1.00 45.71 ? 33 TRP b C 1 ? ? +29339 ATOM O O . TRP V 2 32 ? 35.372 -10.631 -24.666 1.00 45.40 ? 33 TRP b O 1 ? ? +29340 ATOM N N . ALA V 2 33 ? 37.341 -10.603 -23.525 1.00 46.05 ? 34 ALA b N 1 ? ? +29341 ATOM C CA . ALA V 2 33 ? 38.007 -9.724 -24.462 1.00 46.21 ? 34 ALA b CA 1 ? ? +29342 ATOM C CB . ALA V 2 33 ? 39.477 -9.492 -24.041 1.00 46.88 ? 34 ALA b CB 1 ? ? +29343 ATOM C C . ALA V 2 33 ? 37.944 -10.316 -25.860 1.00 45.97 ? 34 ALA b C 1 ? ? +29344 ATOM O O . ALA V 2 33 ? 37.632 -9.611 -26.809 1.00 45.83 ? 34 ALA b O 1 ? ? +29345 ATOM N N . GLY V 2 34 ? 38.278 -11.606 -25.976 1.00 46.03 ? 35 GLY b N 1 ? ? +29346 ATOM C CA . GLY V 2 34 ? 38.224 -12.313 -27.247 1.00 45.97 ? 35 GLY b CA 1 ? ? +29347 ATOM C C . GLY V 2 34 ? 36.811 -12.392 -27.827 1.00 45.47 ? 35 GLY b C 1 ? ? +29348 ATOM O O . GLY V 2 34 ? 36.597 -12.070 -28.994 1.00 45.36 ? 35 GLY b O 1 ? ? +29349 ATOM N N . SER V 2 35 ? 35.850 -12.821 -27.009 1.00 45.28 ? 36 SER b N 1 ? ? +29350 ATOM C CA . SER V 2 35 ? 34.454 -12.868 -27.439 1.00 45.00 ? 36 SER b CA 1 ? ? +29351 ATOM C CB . SER V 2 35 ? 33.541 -13.259 -26.296 1.00 44.74 ? 36 SER b CB 1 ? ? +29352 ATOM O OG . SER V 2 35 ? 33.927 -14.489 -25.733 1.00 44.98 ? 36 SER b OG 1 ? ? +29353 ATOM C C . SER V 2 35 ? 33.980 -11.509 -27.928 1.00 45.12 ? 36 SER b C 1 ? ? +29354 ATOM O O . SER V 2 35 ? 33.392 -11.403 -28.992 1.00 44.92 ? 36 SER b O 1 ? ? +29355 ATOM N N . MET V 2 36 ? 34.277 -10.465 -27.142 1.00 45.72 ? 37 MET b N 1 ? ? +29356 ATOM C CA . MET V 2 36 ? 33.819 -9.124 -27.462 1.00 46.01 ? 37 MET b CA 1 ? ? +29357 ATOM C CB . MET V 2 36 ? 34.152 -8.119 -26.345 1.00 46.44 ? 37 MET b CB 1 ? ? +29358 ATOM C CG . MET V 2 36 ? 33.482 -6.761 -26.536 1.00 46.66 ? 37 MET b CG 1 ? ? +29359 ATOM S SD . MET V 2 36 ? 31.601 -6.799 -26.528 1.00 47.00 ? 37 MET b SD 1 ? ? +29360 ATOM C CE . MET V 2 36 ? 31.418 -7.007 -24.968 1.00 46.89 ? 37 MET b CE 1 ? ? +29361 ATOM C C . MET V 2 36 ? 34.394 -8.658 -28.797 1.00 46.34 ? 37 MET b C 1 ? ? +29362 ATOM O O . MET V 2 36 ? 33.670 -8.079 -29.604 1.00 46.18 ? 37 MET b O 1 ? ? +29363 ATOM N N . ALA V 2 37 ? 35.679 -8.948 -29.039 1.00 46.78 ? 38 ALA b N 1 ? ? +29364 ATOM C CA . ALA V 2 37 ? 36.324 -8.561 -30.283 1.00 47.23 ? 38 ALA b CA 1 ? ? +29365 ATOM C CB . ALA V 2 37 ? 37.835 -8.886 -30.252 1.00 47.67 ? 38 ALA b CB 1 ? ? +29366 ATOM C C . ALA V 2 37 ? 35.659 -9.248 -31.470 1.00 47.09 ? 38 ALA b C 1 ? ? +29367 ATOM O O . ALA V 2 37 ? 35.329 -8.610 -32.469 1.00 47.10 ? 38 ALA b O 1 ? ? +29368 ATOM N N . LEU V 2 38 ? 35.460 -10.561 -31.347 1.00 47.16 ? 39 LEU b N 1 ? ? +29369 ATOM C CA . LEU V 2 38 ? 34.867 -11.324 -32.430 1.00 47.18 ? 39 LEU b CA 1 ? ? +29370 ATOM C CB . LEU V 2 38 ? 34.813 -12.799 -32.061 1.00 47.12 ? 39 LEU b CB 1 ? ? +29371 ATOM C CG . LEU V 2 38 ? 36.118 -13.506 -32.016 1.00 47.59 ? 39 LEU b CG 1 ? ? +29372 ATOM C CD1 . LEU V 2 38 ? 35.916 -14.902 -31.522 1.00 47.44 ? 39 LEU b CD1 1 ? ? +29373 ATOM C CD2 . LEU V 2 38 ? 36.803 -13.497 -33.397 1.00 47.92 ? 39 LEU b CD2 1 ? ? +29374 ATOM C C . LEU V 2 38 ? 33.459 -10.853 -32.775 1.00 46.99 ? 39 LEU b C 1 ? ? +29375 ATOM O O . LEU V 2 38 ? 33.068 -10.913 -33.932 1.00 46.72 ? 39 LEU b O 1 ? ? +29376 ATOM N N . TYR V 2 39 ? 32.707 -10.406 -31.769 1.00 47.24 ? 40 TYR b N 1 ? ? +29377 ATOM C CA . TYR V 2 39 ? 31.338 -9.951 -31.990 1.00 47.45 ? 40 TYR b CA 1 ? ? +29378 ATOM C CB . TYR V 2 39 ? 30.579 -9.855 -30.669 1.00 47.21 ? 40 TYR b CB 1 ? ? +29379 ATOM C CG . TYR V 2 39 ? 29.222 -9.209 -30.768 1.00 46.97 ? 40 TYR b CG 1 ? ? +29380 ATOM C CD1 . TYR V 2 39 ? 28.100 -9.954 -31.076 1.00 46.83 ? 40 TYR b CD1 1 ? ? +29381 ATOM C CD2 . TYR V 2 39 ? 29.060 -7.853 -30.537 1.00 47.21 ? 40 TYR b CD2 1 ? ? +29382 ATOM C CE1 . TYR V 2 39 ? 26.846 -9.363 -31.171 1.00 46.78 ? 40 TYR b CE1 1 ? ? +29383 ATOM C CE2 . TYR V 2 39 ? 27.816 -7.250 -30.611 1.00 46.99 ? 40 TYR b CE2 1 ? ? +29384 ATOM C CZ . TYR V 2 39 ? 26.707 -8.010 -30.929 1.00 46.89 ? 40 TYR b CZ 1 ? ? +29385 ATOM O OH . TYR V 2 39 ? 25.471 -7.439 -31.013 1.00 46.70 ? 40 TYR b OH 1 ? ? +29386 ATOM C C . TYR V 2 39 ? 31.364 -8.596 -32.692 1.00 47.94 ? 40 TYR b C 1 ? ? +29387 ATOM O O . TYR V 2 39 ? 30.540 -8.324 -33.570 1.00 47.88 ? 40 TYR b O 1 ? ? +29388 ATOM N N . GLU V 2 40 ? 32.322 -7.751 -32.290 1.00 48.42 ? 41 GLU b N 1 ? ? +29389 ATOM C CA . GLU V 2 40 ? 32.490 -6.458 -32.926 1.00 48.72 ? 41 GLU b CA 1 ? ? +29390 ATOM C CB . GLU V 2 40 ? 33.510 -5.618 -32.185 1.00 48.95 ? 41 GLU b CB 1 ? ? +29391 ATOM C CG . GLU V 2 40 ? 32.969 -5.157 -30.857 1.00 48.70 ? 41 GLU b CG 1 ? ? +29392 ATOM C CD . GLU V 2 40 ? 33.756 -4.078 -30.175 1.00 48.88 ? 41 GLU b CD 1 ? ? +29393 ATOM O OE1 . GLU V 2 40 ? 34.720 -3.565 -30.785 1.00 49.45 ? 41 GLU b OE1 1 ? ? +29394 ATOM O OE2 . GLU V 2 40 ? 33.417 -3.751 -29.019 1.00 48.62 ? 41 GLU b OE2 1 ? ? +29395 ATOM C C . GLU V 2 40 ? 32.894 -6.620 -34.384 1.00 49.21 ? 41 GLU b C 1 ? ? +29396 ATOM O O . GLU V 2 40 ? 32.357 -5.930 -35.246 1.00 49.19 ? 41 GLU b O 1 ? ? +29397 ATOM N N . LEU V 2 41 ? 33.817 -7.551 -34.649 1.00 49.76 ? 42 LEU b N 1 ? ? +29398 ATOM C CA . LEU V 2 41 ? 34.270 -7.790 -36.008 1.00 50.16 ? 42 LEU b CA 1 ? ? +29399 ATOM C CB . LEU V 2 41 ? 35.451 -8.777 -36.024 1.00 50.11 ? 42 LEU b CB 1 ? ? +29400 ATOM C CG . LEU V 2 41 ? 36.762 -8.177 -35.561 1.00 50.55 ? 42 LEU b CG 1 ? ? +29401 ATOM C CD1 . LEU V 2 41 ? 37.895 -9.218 -35.548 1.00 50.72 ? 42 LEU b CD1 1 ? ? +29402 ATOM C CD2 . LEU V 2 41 ? 37.133 -7.002 -36.425 1.00 50.81 ? 42 LEU b CD2 1 ? ? +29403 ATOM C C . LEU V 2 41 ? 33.133 -8.303 -36.885 1.00 50.27 ? 42 LEU b C 1 ? ? +29404 ATOM O O . LEU V 2 41 ? 33.070 -7.969 -38.059 1.00 50.77 ? 42 LEU b O 1 ? ? +29405 ATOM N N . ALA V 2 42 ? 32.250 -9.116 -36.310 1.00 50.43 ? 43 ALA b N 1 ? ? +29406 ATOM C CA . ALA V 2 42 ? 31.110 -9.640 -37.039 1.00 50.82 ? 43 ALA b CA 1 ? ? +29407 ATOM C CB . ALA V 2 42 ? 30.437 -10.749 -36.226 1.00 50.54 ? 43 ALA b CB 1 ? ? +29408 ATOM C C . ALA V 2 42 ? 30.056 -8.596 -37.394 1.00 51.29 ? 43 ALA b C 1 ? ? +29409 ATOM O O . ALA V 2 42 ? 29.191 -8.882 -38.214 1.00 52.74 ? 43 ALA b O 1 ? ? +29410 ATOM N N . THR V 2 43 ? 30.080 -7.433 -36.732 1.00 51.36 ? 44 THR b N 1 ? ? +29411 ATOM C CA . THR V 2 43 ? 29.055 -6.422 -36.927 1.00 51.64 ? 44 THR b CA 1 ? ? +29412 ATOM C CB . THR V 2 43 ? 28.279 -6.225 -35.632 1.00 51.67 ? 44 THR b CB 1 ? ? +29413 ATOM O OG1 . THR V 2 43 ? 29.150 -5.792 -34.610 1.00 52.30 ? 44 THR b OG1 1 ? ? +29414 ATOM C CG2 . THR V 2 43 ? 27.627 -7.501 -35.159 1.00 51.55 ? 44 THR b CG2 1 ? ? +29415 ATOM C C . THR V 2 43 ? 29.589 -5.090 -37.445 1.00 52.14 ? 44 THR b C 1 ? ? +29416 ATOM O O . THR V 2 43 ? 28.805 -4.243 -37.872 1.00 53.30 ? 44 THR b O 1 ? ? +29417 ATOM N N . PHE V 2 44 ? 30.914 -4.923 -37.420 1.00 51.57 ? 45 PHE b N 1 ? ? +29418 ATOM C CA . PHE V 2 44 ? 31.543 -3.688 -37.829 1.00 51.68 ? 45 PHE b CA 1 ? ? +29419 ATOM C CB . PHE V 2 44 ? 33.034 -3.703 -37.426 1.00 51.89 ? 45 PHE b CB 1 ? ? +29420 ATOM C CG . PHE V 2 44 ? 33.805 -2.466 -37.795 1.00 51.83 ? 45 PHE b CG 1 ? ? +29421 ATOM C CD1 . PHE V 2 44 ? 33.389 -1.219 -37.364 1.00 51.77 ? 45 PHE b CD1 1 ? ? +29422 ATOM C CD2 . PHE V 2 44 ? 34.947 -2.550 -38.562 1.00 52.32 ? 45 PHE b CD2 1 ? ? +29423 ATOM C CE1 . PHE V 2 44 ? 34.092 -0.084 -37.694 1.00 52.29 ? 45 PHE b CE1 1 ? ? +29424 ATOM C CE2 . PHE V 2 44 ? 35.665 -1.412 -38.880 1.00 52.83 ? 45 PHE b CE2 1 ? ? +29425 ATOM C CZ . PHE V 2 44 ? 35.231 -0.184 -38.442 1.00 52.88 ? 45 PHE b CZ 1 ? ? +29426 ATOM C C . PHE V 2 44 ? 31.454 -3.513 -39.337 1.00 52.14 ? 45 PHE b C 1 ? ? +29427 ATOM O O . PHE V 2 44 ? 31.783 -4.423 -40.082 1.00 52.74 ? 45 PHE b O 1 ? ? +29428 ATOM N N . ASP V 2 45 ? 31.038 -2.329 -39.777 1.00 52.61 ? 46 ASP b N 1 ? ? +29429 ATOM C CA . ASP V 2 45 ? 31.153 -1.958 -41.176 1.00 53.12 ? 46 ASP b CA 1 ? ? +29430 ATOM C CB . ASP V 2 45 ? 29.915 -1.181 -41.616 1.00 52.87 ? 46 ASP b CB 1 ? ? +29431 ATOM C CG . ASP V 2 45 ? 29.950 -0.789 -43.067 1.00 53.59 ? 46 ASP b CG 1 ? ? +29432 ATOM O OD1 . ASP V 2 45 ? 30.955 -1.066 -43.733 1.00 54.35 ? 46 ASP b OD1 1 ? ? +29433 ATOM O OD2 . ASP V 2 45 ? 28.977 -0.219 -43.543 1.00 54.37 ? 46 ASP b OD2 1 ? ? +29434 ATOM C C . ASP V 2 45 ? 32.421 -1.128 -41.387 1.00 53.95 ? 46 ASP b C 1 ? ? +29435 ATOM O O . ASP V 2 45 ? 32.525 -0.008 -40.900 1.00 55.03 ? 46 ASP b O 1 ? ? +29436 ATOM N N . PRO V 2 46 ? 33.444 -1.631 -42.107 1.00 54.01 ? 47 PRO b N 1 ? ? +29437 ATOM C CA . PRO V 2 46 ? 34.658 -0.849 -42.342 1.00 54.47 ? 47 PRO b CA 1 ? ? +29438 ATOM C CB . PRO V 2 46 ? 35.713 -1.942 -42.486 1.00 54.57 ? 47 PRO b CB 1 ? ? +29439 ATOM C CG . PRO V 2 46 ? 34.974 -3.055 -43.165 1.00 54.39 ? 47 PRO b CG 1 ? ? +29440 ATOM C CD . PRO V 2 46 ? 33.531 -2.994 -42.653 1.00 53.79 ? 47 PRO b CD 1 ? ? +29441 ATOM C C . PRO V 2 46 ? 34.627 0.038 -43.583 1.00 54.75 ? 47 PRO b C 1 ? ? +29442 ATOM O O . PRO V 2 46 ? 35.634 0.642 -43.931 1.00 55.61 ? 47 PRO b O 1 ? ? +29443 ATOM N N . SER V 2 47 ? 33.474 0.129 -44.244 1.00 54.41 ? 48 SER b N 1 ? ? +29444 ATOM C CA . SER V 2 47 ? 33.401 0.753 -45.553 1.00 54.68 ? 48 SER b CA 1 ? ? +29445 ATOM C CB . SER V 2 47 ? 32.144 0.293 -46.275 1.00 53.99 ? 48 SER b CB 1 ? ? +29446 ATOM O OG . SER V 2 47 ? 31.017 0.838 -45.623 1.00 53.76 ? 48 SER b OG 1 ? ? +29447 ATOM C C . SER V 2 47 ? 33.406 2.281 -45.590 1.00 55.56 ? 48 SER b C 1 ? ? +29448 ATOM O O . SER V 2 47 ? 33.482 2.847 -46.675 1.00 56.74 ? 48 SER b O 1 ? ? +29449 ATOM N N . ASP V 2 48 ? 33.287 2.951 -44.433 1.00 55.71 ? 49 ASP b N 1 ? ? +29450 ATOM C CA . ASP V 2 48 ? 33.282 4.409 -44.404 1.00 55.93 ? 49 ASP b CA 1 ? ? +29451 ATOM C CB . ASP V 2 48 ? 31.876 4.973 -44.630 1.00 55.55 ? 49 ASP b CB 1 ? ? +29452 ATOM C CG . ASP V 2 48 ? 31.847 6.478 -44.806 1.00 56.39 ? 49 ASP b CG 1 ? ? +29453 ATOM O OD1 . ASP V 2 48 ? 32.903 7.116 -44.650 1.00 56.80 ? 49 ASP b OD1 1 ? ? +29454 ATOM O OD2 . ASP V 2 48 ? 30.775 7.014 -45.107 1.00 56.92 ? 49 ASP b OD2 1 ? ? +29455 ATOM C C . ASP V 2 48 ? 33.862 4.956 -43.101 1.00 55.75 ? 49 ASP b C 1 ? ? +29456 ATOM O O . ASP V 2 48 ? 33.137 5.207 -42.142 1.00 55.95 ? 49 ASP b O 1 ? ? +29457 ATOM N N . PRO V 2 49 ? 35.192 5.161 -43.038 1.00 55.53 ? 50 PRO b N 1 ? ? +29458 ATOM C CA . PRO V 2 49 ? 35.823 5.787 -41.876 1.00 55.31 ? 50 PRO b CA 1 ? ? +29459 ATOM C CB . PRO V 2 49 ? 37.331 5.676 -42.188 1.00 56.14 ? 50 PRO b CB 1 ? ? +29460 ATOM C CG . PRO V 2 49 ? 37.456 4.668 -43.290 1.00 56.24 ? 50 PRO b CG 1 ? ? +29461 ATOM C CD . PRO V 2 49 ? 36.161 4.727 -44.056 1.00 55.97 ? 50 PRO b CD 1 ? ? +29462 ATOM C C . PRO V 2 49 ? 35.452 7.247 -41.629 1.00 55.12 ? 50 PRO b C 1 ? ? +29463 ATOM O O . PRO V 2 49 ? 35.724 7.765 -40.551 1.00 55.46 ? 50 PRO b O 1 ? ? +29464 ATOM N N . VAL V 2 50 ? 34.879 7.920 -42.636 1.00 54.70 ? 51 VAL b N 1 ? ? +29465 ATOM C CA . VAL V 2 50 ? 34.599 9.344 -42.547 1.00 54.65 ? 51 VAL b CA 1 ? ? +29466 ATOM C CB . VAL V 2 50 ? 34.574 9.990 -43.939 1.00 54.87 ? 51 VAL b CB 1 ? ? +29467 ATOM C CG1 . VAL V 2 50 ? 34.080 11.420 -43.877 1.00 55.22 ? 51 VAL b CG1 1 ? ? +29468 ATOM C CG2 . VAL V 2 50 ? 35.930 9.930 -44.591 1.00 55.35 ? 51 VAL b CG2 1 ? ? +29469 ATOM C C . VAL V 2 50 ? 33.295 9.617 -41.798 1.00 54.12 ? 51 VAL b C 1 ? ? +29470 ATOM O O . VAL V 2 50 ? 33.297 10.333 -40.806 1.00 54.61 ? 51 VAL b O 1 ? ? +29471 ATOM N N . LEU V 2 51 ? 32.181 9.066 -42.285 1.00 53.46 ? 52 LEU b N 1 ? ? +29472 ATOM C CA . LEU V 2 51 ? 30.876 9.350 -41.703 1.00 53.00 ? 52 LEU b CA 1 ? ? +29473 ATOM C CB . LEU V 2 51 ? 29.885 9.784 -42.795 1.00 52.98 ? 52 LEU b CB 1 ? ? +29474 ATOM C CG . LEU V 2 51 ? 30.198 11.093 -43.499 1.00 53.50 ? 52 LEU b CG 1 ? ? +29475 ATOM C CD1 . LEU V 2 51 ? 29.107 11.464 -44.488 1.00 53.58 ? 52 LEU b CD1 1 ? ? +29476 ATOM C CD2 . LEU V 2 51 ? 30.371 12.193 -42.523 1.00 53.80 ? 52 LEU b CD2 1 ? ? +29477 ATOM C C . LEU V 2 51 ? 30.266 8.180 -40.937 1.00 52.14 ? 52 LEU b C 1 ? ? +29478 ATOM O O . LEU V 2 51 ? 29.199 8.331 -40.349 1.00 52.07 ? 52 LEU b O 1 ? ? +29479 ATOM N N . ASN V 2 52 ? 30.937 7.022 -40.952 1.00 51.60 ? 53 ASN b N 1 ? ? +29480 ATOM C CA . ASN V 2 52 ? 30.513 5.896 -40.143 1.00 50.68 ? 53 ASN b CA 1 ? ? +29481 ATOM C CB . ASN V 2 52 ? 29.770 4.905 -40.991 1.00 50.11 ? 53 ASN b CB 1 ? ? +29482 ATOM C CG . ASN V 2 52 ? 29.024 3.899 -40.167 1.00 49.29 ? 53 ASN b CG 1 ? ? +29483 ATOM O OD1 . ASN V 2 52 ? 28.687 4.115 -39.003 1.00 49.02 ? 53 ASN b OD1 1 ? ? +29484 ATOM N ND2 . ASN V 2 52 ? 28.779 2.777 -40.749 1.00 49.00 ? 53 ASN b ND2 1 ? ? +29485 ATOM C C . ASN V 2 52 ? 31.682 5.208 -39.440 1.00 50.73 ? 53 ASN b C 1 ? ? +29486 ATOM O O . ASN V 2 52 ? 31.885 4.004 -39.595 1.00 50.32 ? 53 ASN b O 1 ? ? +29487 ATOM N N . PRO V 2 53 ? 32.474 5.951 -38.631 1.00 51.04 ? 54 PRO b N 1 ? ? +29488 ATOM C CA . PRO V 2 53 ? 33.604 5.368 -37.909 1.00 51.09 ? 54 PRO b CA 1 ? ? +29489 ATOM C CB . PRO V 2 53 ? 34.350 6.609 -37.408 1.00 51.55 ? 54 PRO b CB 1 ? ? +29490 ATOM C CG . PRO V 2 53 ? 33.259 7.642 -37.217 1.00 51.52 ? 54 PRO b CG 1 ? ? +29491 ATOM C CD . PRO V 2 53 ? 32.310 7.391 -38.359 1.00 51.29 ? 54 PRO b CD 1 ? ? +29492 ATOM C C . PRO V 2 53 ? 33.128 4.472 -36.766 1.00 50.70 ? 54 PRO b C 1 ? ? +29493 ATOM O O . PRO V 2 53 ? 31.943 4.491 -36.404 1.00 50.61 ? 54 PRO b O 1 ? ? +29494 ATOM N N . MET V 2 54 ? 34.076 3.737 -36.176 1.00 50.52 ? 55 MET b N 1 ? ? +29495 ATOM C CA . MET V 2 54 ? 33.783 2.736 -35.165 1.00 50.00 ? 55 MET b CA 1 ? ? +29496 ATOM C CB . MET V 2 54 ? 35.073 2.164 -34.540 1.00 50.38 ? 55 MET b CB 1 ? ? +29497 ATOM C CG . MET V 2 54 ? 36.012 3.193 -33.997 1.00 51.14 ? 55 MET b CG 1 ? ? +29498 ATOM S SD . MET V 2 54 ? 37.537 2.436 -33.333 1.00 51.74 ? 55 MET b SD 1 ? ? +29499 ATOM C CE . MET V 2 54 ? 38.376 2.090 -34.803 1.00 52.18 ? 55 MET b CE 1 ? ? +29500 ATOM C C . MET V 2 54 ? 32.896 3.280 -34.054 1.00 49.49 ? 55 MET b C 1 ? ? +29501 ATOM O O . MET V 2 54 ? 32.008 2.576 -33.576 1.00 49.01 ? 55 MET b O 1 ? ? +29502 ATOM N N . TRP V 2 55 ? 33.141 4.531 -33.653 1.00 49.59 ? 56 TRP b N 1 ? ? +29503 ATOM C CA . TRP V 2 55 ? 32.457 5.093 -32.497 1.00 49.34 ? 56 TRP b CA 1 ? ? +29504 ATOM C CB . TRP V 2 55 ? 33.192 6.328 -31.943 1.00 49.71 ? 56 TRP b CB 1 ? ? +29505 ATOM C CG . TRP V 2 55 ? 33.493 7.405 -32.932 1.00 50.07 ? 56 TRP b CG 1 ? ? +29506 ATOM C CD1 . TRP V 2 55 ? 34.661 7.570 -33.612 1.00 50.52 ? 56 TRP b CD1 1 ? ? +29507 ATOM N NE1 . TRP V 2 55 ? 34.588 8.677 -34.415 1.00 50.85 ? 56 TRP b NE1 1 ? ? +29508 ATOM C CE2 . TRP V 2 55 ? 33.377 9.281 -34.239 1.00 50.56 ? 56 TRP b CE2 1 ? ? +29509 ATOM C CZ2 . TRP V 2 55 ? 32.850 10.429 -34.829 1.00 50.75 ? 56 TRP b CZ2 1 ? ? +29510 ATOM C CH2 . TRP V 2 55 ? 31.570 10.793 -34.465 1.00 50.41 ? 56 TRP b CH2 1 ? ? +29511 ATOM C CZ3 . TRP V 2 55 ? 30.828 10.045 -33.540 1.00 49.77 ? 56 TRP b CZ3 1 ? ? +29512 ATOM C CE3 . TRP V 2 55 ? 31.346 8.906 -32.961 1.00 49.64 ? 56 TRP b CE3 1 ? ? +29513 ATOM C CD2 . TRP V 2 55 ? 32.656 8.510 -33.301 1.00 50.08 ? 56 TRP b CD2 1 ? ? +29514 ATOM C C . TRP V 2 55 ? 30.993 5.448 -32.739 1.00 48.88 ? 56 TRP b C 1 ? ? +29515 ATOM O O . TRP V 2 55 ? 30.309 5.811 -31.796 1.00 48.85 ? 56 TRP b O 1 ? ? +29516 ATOM N N . ARG V 2 56 ? 30.552 5.397 -34.001 1.00 48.70 ? 57 ARG b N 1 ? ? +29517 ATOM C CA . ARG V 2 56 ? 29.153 5.560 -34.361 1.00 48.39 ? 57 ARG b CA 1 ? ? +29518 ATOM C CB . ARG V 2 56 ? 29.024 6.130 -35.778 1.00 48.53 ? 57 ARG b CB 1 ? ? +29519 ATOM C CG . ARG V 2 56 ? 29.445 7.586 -35.919 1.00 49.01 ? 57 ARG b CG 1 ? ? +29520 ATOM C CD . ARG V 2 56 ? 28.377 8.545 -35.457 1.00 48.84 ? 57 ARG b CD 1 ? ? +29521 ATOM N NE . ARG V 2 56 ? 27.163 8.412 -36.249 1.00 48.51 ? 57 ARG b NE 1 ? ? +29522 ATOM C CZ . ARG V 2 56 ? 25.969 8.875 -35.890 1.00 48.35 ? 57 ARG b CZ 1 ? ? +29523 ATOM N NH1 . ARG V 2 56 ? 25.829 9.808 -34.964 1.00 48.46 ? 57 ARG b NH1 1 ? ? +29524 ATOM N NH2 . ARG V 2 56 ? 24.884 8.396 -36.488 1.00 48.09 ? 57 ARG b NH2 1 ? ? +29525 ATOM C C . ARG V 2 56 ? 28.413 4.225 -34.312 1.00 47.93 ? 57 ARG b C 1 ? ? +29526 ATOM O O . ARG V 2 56 ? 27.175 4.190 -34.311 1.00 47.48 ? 57 ARG b O 1 ? ? +29527 ATOM N N . GLN V 2 57 ? 29.210 3.142 -34.299 1.00 47.82 ? 58 GLN b N 1 ? ? +29528 ATOM C CA . GLN V 2 57 ? 28.726 1.786 -34.464 1.00 47.47 ? 58 GLN b CA 1 ? ? +29529 ATOM C CB . GLN V 2 57 ? 29.607 1.064 -35.490 1.00 47.56 ? 58 GLN b CB 1 ? ? +29530 ATOM C CG . GLN V 2 57 ? 29.528 1.644 -36.890 1.00 47.78 ? 58 GLN b CG 1 ? ? +29531 ATOM C CD . GLN V 2 57 ? 30.249 0.783 -37.881 1.00 47.93 ? 58 GLN b CD 1 ? ? +29532 ATOM O OE1 . GLN V 2 57 ? 30.049 -0.430 -37.931 1.00 47.56 ? 58 GLN b OE1 1 ? ? +29533 ATOM N NE2 . GLN V 2 57 ? 31.135 1.381 -38.668 1.00 48.46 ? 58 GLN b NE2 1 ? ? +29534 ATOM C C . GLN V 2 57 ? 28.708 0.976 -33.174 1.00 47.50 ? 58 GLN b C 1 ? ? +29535 ATOM O O . GLN V 2 57 ? 28.527 -0.233 -33.217 1.00 47.34 ? 58 GLN b O 1 ? ? +29536 ATOM N N . GLY V 2 58 ? 28.881 1.646 -32.029 1.00 48.06 ? 59 GLY b N 1 ? ? +29537 ATOM C CA . GLY V 2 58 ? 28.862 0.981 -30.734 1.00 48.15 ? 59 GLY b CA 1 ? ? +29538 ATOM C C . GLY V 2 58 ? 30.075 0.104 -30.428 1.00 48.59 ? 59 GLY b C 1 ? ? +29539 ATOM O O . GLY V 2 58 ? 29.969 -0.831 -29.632 1.00 48.47 ? 59 GLY b O 1 ? ? +29540 ATOM N N . MET V 2 59 ? 31.224 0.415 -31.044 1.00 49.19 ? 60 MET b N 1 ? ? +29541 ATOM C CA . MET V 2 59 ? 32.407 -0.416 -30.888 1.00 49.81 ? 60 MET b CA 1 ? ? +29542 ATOM C CB . MET V 2 59 ? 33.366 -0.268 -32.099 1.00 50.88 ? 60 MET b CB 1 ? ? +29543 ATOM C CG . MET V 2 59 ? 32.795 -0.769 -33.404 1.00 51.25 ? 60 MET b CG 1 ? ? +29544 ATOM S SD . MET V 2 59 ? 32.298 -2.518 -33.342 1.00 51.90 ? 60 MET b SD 1 ? ? +29545 ATOM C CE . MET V 2 59 ? 31.009 -2.565 -34.481 1.00 51.17 ? 60 MET b CE 1 ? ? +29546 ATOM C C . MET V 2 59 ? 33.113 -0.008 -29.600 1.00 49.88 ? 60 MET b C 1 ? ? +29547 ATOM O O . MET V 2 59 ? 33.361 1.170 -29.377 1.00 50.39 ? 60 MET b O 1 ? ? +29548 ATOM N N . PHE V 2 60 ? 33.455 -0.986 -28.761 1.00 49.69 ? 61 PHE b N 1 ? ? +29549 ATOM C CA . PHE V 2 60 ? 34.008 -0.705 -27.448 1.00 49.98 ? 61 PHE b CA 1 ? ? +29550 ATOM C CB . PHE V 2 60 ? 33.127 -1.367 -26.404 1.00 49.87 ? 61 PHE b CB 1 ? ? +29551 ATOM C CG . PHE V 2 60 ? 33.500 -1.061 -24.981 1.00 50.28 ? 61 PHE b CG 1 ? ? +29552 ATOM C CD1 . PHE V 2 60 ? 33.584 0.243 -24.540 1.00 50.59 ? 61 PHE b CD1 1 ? ? +29553 ATOM C CD2 . PHE V 2 60 ? 33.753 -2.082 -24.076 1.00 50.32 ? 61 PHE b CD2 1 ? ? +29554 ATOM C CE1 . PHE V 2 60 ? 33.940 0.519 -23.234 1.00 50.90 ? 61 PHE b CE1 1 ? ? +29555 ATOM C CE2 . PHE V 2 60 ? 34.110 -1.795 -22.769 1.00 50.57 ? 61 PHE b CE2 1 ? ? +29556 ATOM C CZ . PHE V 2 60 ? 34.207 -0.499 -22.357 1.00 50.85 ? 61 PHE b CZ 1 ? ? +29557 ATOM C C . PHE V 2 60 ? 35.464 -1.146 -27.270 1.00 50.19 ? 61 PHE b C 1 ? ? +29558 ATOM O O . PHE V 2 60 ? 36.241 -0.407 -26.684 1.00 50.57 ? 61 PHE b O 1 ? ? +29559 ATOM N N . VAL V 2 61 ? 35.806 -2.351 -27.744 1.00 50.03 ? 62 VAL b N 1 ? ? +29560 ATOM C CA . VAL V 2 61 ? 37.159 -2.887 -27.646 1.00 50.53 ? 62 VAL b CA 1 ? ? +29561 ATOM C CB . VAL V 2 61 ? 37.193 -4.418 -27.409 1.00 50.28 ? 62 VAL b CB 1 ? ? +29562 ATOM C CG1 . VAL V 2 61 ? 36.687 -4.782 -26.020 1.00 50.18 ? 62 VAL b CG1 1 ? ? +29563 ATOM C CG2 . VAL V 2 61 ? 36.422 -5.177 -28.476 1.00 49.73 ? 62 VAL b CG2 1 ? ? +29564 ATOM C C . VAL V 2 61 ? 38.003 -2.551 -28.871 1.00 50.88 ? 62 VAL b C 1 ? ? +29565 ATOM O O . VAL V 2 61 ? 39.222 -2.426 -28.772 1.00 51.47 ? 62 VAL b O 1 ? ? +29566 ATOM N N . LEU V 2 62 ? 37.348 -2.397 -30.027 1.00 50.56 ? 63 LEU b N 1 ? ? +29567 ATOM C CA . LEU V 2 62 ? 38.056 -2.083 -31.256 1.00 50.86 ? 63 LEU b CA 1 ? ? +29568 ATOM C CB . LEU V 2 62 ? 37.066 -1.849 -32.383 1.00 50.77 ? 63 LEU b CB 1 ? ? +29569 ATOM C CG . LEU V 2 62 ? 37.433 -2.473 -33.703 1.00 51.06 ? 63 LEU b CG 1 ? ? +29570 ATOM C CD1 . LEU V 2 62 ? 37.332 -3.988 -33.626 1.00 50.88 ? 63 LEU b CD1 1 ? ? +29571 ATOM C CD2 . LEU V 2 62 ? 36.513 -1.995 -34.817 1.00 51.06 ? 63 LEU b CD2 1 ? ? +29572 ATOM C C . LEU V 2 62 ? 38.976 -0.870 -31.093 1.00 51.13 ? 63 LEU b C 1 ? ? +29573 ATOM O O . LEU V 2 62 ? 40.129 -0.901 -31.530 1.00 51.37 ? 63 LEU b O 1 ? ? +29574 ATOM N N . PRO V 2 63 ? 38.497 0.241 -30.476 1.00 50.73 ? 64 PRO b N 1 ? ? +29575 ATOM C CA . PRO V 2 63 ? 39.329 1.421 -30.257 1.00 51.01 ? 64 PRO b CA 1 ? ? +29576 ATOM C CB . PRO V 2 63 ? 38.384 2.385 -29.536 1.00 50.86 ? 64 PRO b CB 1 ? ? +29577 ATOM C CG . PRO V 2 63 ? 37.091 1.890 -29.745 1.00 50.38 ? 64 PRO b CG 1 ? ? +29578 ATOM C CD . PRO V 2 63 ? 37.133 0.441 -29.966 1.00 50.18 ? 64 PRO b CD 1 ? ? +29579 ATOM C C . PRO V 2 63 ? 40.573 1.158 -29.416 1.00 51.16 ? 64 PRO b C 1 ? ? +29580 ATOM O O . PRO V 2 63 ? 41.593 1.819 -29.598 1.00 51.66 ? 64 PRO b O 1 ? ? +29581 ATOM N N . PHE V 2 64 ? 40.466 0.213 -28.473 1.00 50.57 ? 65 PHE b N 1 ? ? +29582 ATOM C CA . PHE V 2 64 ? 41.573 -0.093 -27.589 1.00 50.74 ? 65 PHE b CA 1 ? ? +29583 ATOM C CB . PHE V 2 64 ? 41.103 -0.852 -26.360 1.00 50.19 ? 65 PHE b CB 1 ? ? +29584 ATOM C CG . PHE V 2 64 ? 40.405 0.064 -25.409 1.00 50.08 ? 65 PHE b CG 1 ? ? +29585 ATOM C CD1 . PHE V 2 64 ? 41.122 0.918 -24.595 1.00 50.51 ? 65 PHE b CD1 1 ? ? +29586 ATOM C CD2 . PHE V 2 64 ? 39.017 0.098 -25.348 1.00 49.55 ? 65 PHE b CD2 1 ? ? +29587 ATOM C CE1 . PHE V 2 64 ? 40.477 1.784 -23.733 1.00 50.51 ? 65 PHE b CE1 1 ? ? +29588 ATOM C CE2 . PHE V 2 64 ? 38.368 0.961 -24.476 1.00 49.45 ? 65 PHE b CE2 1 ? ? +29589 ATOM C CZ . PHE V 2 64 ? 39.098 1.804 -23.676 1.00 49.96 ? 65 PHE b CZ 1 ? ? +29590 ATOM C C . PHE V 2 64 ? 42.685 -0.849 -28.313 1.00 51.17 ? 65 PHE b C 1 ? ? +29591 ATOM O O . PHE V 2 64 ? 43.876 -0.689 -27.980 1.00 51.68 ? 65 PHE b O 1 ? ? +29592 ATOM N N . MET V 2 65 ? 42.265 -1.682 -29.277 1.00 50.72 ? 66 MET b N 1 ? ? +29593 ATOM C CA . MET V 2 65 ? 43.193 -2.404 -30.125 1.00 51.04 ? 66 MET b CA 1 ? ? +29594 ATOM C CB . MET V 2 65 ? 42.469 -3.504 -30.909 1.00 50.69 ? 66 MET b CB 1 ? ? +29595 ATOM C CG . MET V 2 65 ? 42.211 -4.743 -30.068 1.00 50.45 ? 66 MET b CG 1 ? ? +29596 ATOM S SD . MET V 2 65 ? 41.477 -6.147 -30.937 1.00 50.05 ? 66 MET b SD 1 ? ? +29597 ATOM C CE . MET V 2 65 ? 39.898 -5.487 -31.327 1.00 49.50 ? 66 MET b CE 1 ? ? +29598 ATOM C C . MET V 2 65 ? 43.887 -1.396 -31.033 1.00 51.38 ? 66 MET b C 1 ? ? +29599 ATOM O O . MET V 2 65 ? 45.115 -1.373 -31.114 1.00 51.99 ? 66 MET b O 1 ? ? +29600 ATOM N N . ALA V 2 66 ? 43.086 -0.542 -31.672 1.00 50.93 ? 67 ALA b N 1 ? ? +29601 ATOM C CA . ALA V 2 66 ? 43.602 0.503 -32.543 1.00 51.19 ? 67 ALA b CA 1 ? ? +29602 ATOM C CB . ALA V 2 66 ? 42.462 1.291 -33.135 1.00 50.96 ? 67 ALA b CB 1 ? ? +29603 ATOM C C . ALA V 2 66 ? 44.544 1.469 -31.837 1.00 51.58 ? 67 ALA b C 1 ? ? +29604 ATOM O O . ALA V 2 66 ? 45.554 1.865 -32.405 1.00 52.25 ? 67 ALA b O 1 ? ? +29605 ATOM N N . ARG V 2 67 ? 44.191 1.857 -30.612 1.00 51.24 ? 68 ARG b N 1 ? ? +29606 ATOM C CA . ARG V 2 67 ? 44.975 2.806 -29.849 1.00 51.75 ? 68 ARG b CA 1 ? ? +29607 ATOM C CB . ARG V 2 67 ? 44.414 2.980 -28.444 1.00 51.36 ? 68 ARG b CB 1 ? ? +29608 ATOM C CG . ARG V 2 67 ? 45.128 4.068 -27.655 1.00 51.85 ? 68 ARG b CG 1 ? ? +29609 ATOM C CD . ARG V 2 67 ? 44.529 4.378 -26.296 1.00 51.59 ? 68 ARG b CD 1 ? ? +29610 ATOM N NE . ARG V 2 67 ? 44.407 3.209 -25.435 1.00 51.21 ? 68 ARG b NE 1 ? ? +29611 ATOM C CZ . ARG V 2 67 ? 44.077 3.256 -24.156 1.00 51.05 ? 68 ARG b CZ 1 ? ? +29612 ATOM N NH1 . ARG V 2 67 ? 43.753 4.390 -23.565 1.00 51.12 ? 68 ARG b NH1 1 ? ? +29613 ATOM N NH2 . ARG V 2 67 ? 44.074 2.133 -23.450 1.00 50.91 ? 68 ARG b NH2 1 ? ? +29614 ATOM C C . ARG V 2 67 ? 46.447 2.397 -29.765 1.00 52.48 ? 68 ARG b C 1 ? ? +29615 ATOM O O . ARG V 2 67 ? 47.317 3.266 -29.797 1.00 53.07 ? 68 ARG b O 1 ? ? +29616 ATOM N N . LEU V 2 68 ? 46.713 1.086 -29.673 1.00 52.48 ? 69 LEU b N 1 ? ? +29617 ATOM C CA . LEU V 2 68 ? 48.072 0.593 -29.489 1.00 53.36 ? 69 LEU b CA 1 ? ? +29618 ATOM C CB . LEU V 2 68 ? 48.096 -0.459 -28.376 1.00 53.00 ? 69 LEU b CB 1 ? ? +29619 ATOM C CG . LEU V 2 68 ? 47.731 0.035 -26.999 1.00 52.82 ? 69 LEU b CG 1 ? ? +29620 ATOM C CD1 . LEU V 2 68 ? 47.933 -1.032 -25.985 1.00 52.71 ? 69 LEU b CD1 1 ? ? +29621 ATOM C CD2 . LEU V 2 68 ? 48.474 1.266 -26.642 1.00 53.45 ? 69 LEU b CD2 1 ? ? +29622 ATOM C C . LEU V 2 68 ? 48.730 -0.010 -30.729 1.00 53.97 ? 69 LEU b C 1 ? ? +29623 ATOM O O . LEU V 2 68 ? 49.805 -0.589 -30.622 1.00 54.45 ? 69 LEU b O 1 ? ? +29624 ATOM N N . GLY V 2 69 ? 48.090 0.118 -31.898 1.00 54.12 ? 70 GLY b N 1 ? ? +29625 ATOM C CA . GLY V 2 69 ? 48.744 -0.214 -33.152 1.00 54.74 ? 70 GLY b CA 1 ? ? +29626 ATOM C C . GLY V 2 69 ? 48.041 -1.230 -34.048 1.00 54.67 ? 70 GLY b C 1 ? ? +29627 ATOM O O . GLY V 2 69 ? 48.487 -1.466 -35.165 1.00 55.16 ? 70 GLY b O 1 ? ? +29628 ATOM N N . VAL V 2 70 ? 46.970 -1.856 -33.561 1.00 54.23 ? 71 VAL b N 1 ? ? +29629 ATOM C CA . VAL V 2 70 ? 46.285 -2.876 -34.332 1.00 54.06 ? 71 VAL b CA 1 ? ? +29630 ATOM C CB . VAL V 2 70 ? 45.709 -3.982 -33.415 1.00 53.60 ? 71 VAL b CB 1 ? ? +29631 ATOM C CG1 . VAL V 2 70 ? 44.717 -4.905 -34.160 1.00 52.88 ? 71 VAL b CG1 1 ? ? +29632 ATOM C CG2 . VAL V 2 70 ? 46.850 -4.764 -32.757 1.00 54.04 ? 71 VAL b CG2 1 ? ? +29633 ATOM C C . VAL V 2 70 ? 45.185 -2.192 -35.130 1.00 54.08 ? 71 VAL b C 1 ? ? +29634 ATOM O O . VAL V 2 70 ? 44.132 -1.879 -34.586 1.00 53.75 ? 71 VAL b O 1 ? ? +29635 ATOM N N . THR V 2 71 ? 45.428 -1.998 -36.427 1.00 54.61 ? 72 THR b N 1 ? ? +29636 ATOM C CA . THR V 2 71 ? 44.515 -1.255 -37.273 1.00 54.51 ? 72 THR b CA 1 ? ? +29637 ATOM C CB . THR V 2 71 ? 45.235 -0.092 -37.876 1.00 55.22 ? 72 THR b CB 1 ? ? +29638 ATOM O OG1 . THR V 2 71 ? 46.229 -0.633 -38.731 1.00 55.65 ? 72 THR b OG1 1 ? ? +29639 ATOM C CG2 . THR V 2 71 ? 45.834 0.805 -36.832 1.00 55.80 ? 72 THR b CG2 1 ? ? +29640 ATOM C C . THR V 2 71 ? 43.938 -2.033 -38.444 1.00 54.26 ? 72 THR b C 1 ? ? +29641 ATOM O O . THR V 2 71 ? 43.191 -1.465 -39.231 1.00 54.87 ? 72 THR b O 1 ? ? +29642 ATOM N N . GLY V 2 72 ? 44.291 -3.310 -38.567 1.00 54.10 ? 73 GLY b N 1 ? ? +29643 ATOM C CA . GLY V 2 72 ? 44.046 -4.045 -39.797 1.00 53.78 ? 73 GLY b CA 1 ? ? +29644 ATOM C C . GLY V 2 72 ? 43.312 -5.368 -39.597 1.00 52.91 ? 73 GLY b C 1 ? ? +29645 ATOM O O . GLY V 2 72 ? 43.390 -5.975 -38.530 1.00 52.67 ? 73 GLY b O 1 ? ? +29646 ATOM N N . SER V 2 73 ? 42.608 -5.794 -40.651 1.00 52.27 ? 74 SER b N 1 ? ? +29647 ATOM C CA . SER V 2 73 ? 41.951 -7.084 -40.676 1.00 51.53 ? 74 SER b CA 1 ? ? +29648 ATOM C CB . SER V 2 73 ? 40.474 -6.933 -41.032 1.00 50.79 ? 74 SER b CB 1 ? ? +29649 ATOM O OG . SER V 2 73 ? 39.930 -8.198 -41.333 1.00 50.14 ? 74 SER b OG 1 ? ? +29650 ATOM C C . SER V 2 73 ? 42.635 -7.991 -41.691 1.00 51.75 ? 74 SER b C 1 ? ? +29651 ATOM O O . SER V 2 73 ? 43.096 -7.525 -42.729 1.00 51.92 ? 74 SER b O 1 ? ? +29652 ATOM N N . TRP V 2 74 ? 42.653 -9.292 -41.391 1.00 51.77 ? 75 TRP b N 1 ? ? +29653 ATOM C CA . TRP V 2 74 ? 43.071 -10.301 -42.352 1.00 52.13 ? 75 TRP b CA 1 ? ? +29654 ATOM C CB . TRP V 2 74 ? 42.965 -11.707 -41.744 1.00 51.85 ? 75 TRP b CB 1 ? ? +29655 ATOM C CG . TRP V 2 74 ? 43.957 -12.064 -40.701 1.00 52.09 ? 75 TRP b CG 1 ? ? +29656 ATOM C CD1 . TRP V 2 74 ? 45.186 -11.511 -40.498 1.00 52.63 ? 75 TRP b CD1 1 ? ? +29657 ATOM N NE1 . TRP V 2 74 ? 45.802 -12.117 -39.433 1.00 52.72 ? 75 TRP b NE1 1 ? ? +29658 ATOM C CE2 . TRP V 2 74 ? 44.974 -13.085 -38.926 1.00 52.15 ? 75 TRP b CE2 1 ? ? +29659 ATOM C CZ2 . TRP V 2 74 ? 45.150 -13.951 -37.852 1.00 52.15 ? 75 TRP b CZ2 1 ? ? +29660 ATOM C CH2 . TRP V 2 74 ? 44.121 -14.819 -37.559 1.00 51.78 ? 75 TRP b CH2 1 ? ? +29661 ATOM C CZ3 . TRP V 2 74 ? 42.936 -14.836 -38.312 1.00 51.20 ? 75 TRP b CZ3 1 ? ? +29662 ATOM C CE3 . TRP V 2 74 ? 42.759 -13.969 -39.375 1.00 51.24 ? 75 TRP b CE3 1 ? ? +29663 ATOM C CD2 . TRP V 2 74 ? 43.795 -13.072 -39.698 1.00 51.83 ? 75 TRP b CD2 1 ? ? +29664 ATOM C C . TRP V 2 74 ? 42.243 -10.292 -43.641 1.00 52.10 ? 75 TRP b C 1 ? ? +29665 ATOM O O . TRP V 2 74 ? 42.663 -10.855 -44.646 1.00 52.46 ? 75 TRP b O 1 ? ? +29666 ATOM N N . SER V 2 75 ? 41.050 -9.698 -43.624 0.50 51.75 ? 76 SER b N 1 ? ? +29667 ATOM C CA A SER V 2 75 ? 40.221 -9.619 -44.814 0.50 51.74 ? 76 SER b CA 1 ? ? +29668 ATOM C CA B SER V 2 75 ? 40.232 -9.629 -44.821 0.50 51.62 ? 76 SER b CA 1 ? ? +29669 ATOM C C . SER V 2 75 ? 40.650 -8.496 -45.753 0.50 52.14 ? 76 SER b C 1 ? ? +29670 ATOM O O . SER V 2 75 ? 40.097 -8.338 -46.826 0.50 51.94 ? 76 SER b O 1 ? ? +29671 ATOM C CB A SER V 2 75 ? 38.757 -9.455 -44.417 0.50 51.38 ? 76 SER b CB 1 ? ? +29672 ATOM C CB B SER V 2 75 ? 38.763 -9.509 -44.438 0.50 51.08 ? 76 SER b CB 1 ? ? +29673 ATOM O OG A SER V 2 75 ? 37.907 -9.409 -45.550 0.50 51.56 ? 76 SER b OG 1 ? ? +29674 ATOM O OG B SER V 2 75 ? 38.517 -8.357 -43.652 0.50 51.06 ? 76 SER b OG 1 ? ? +29675 ATOM N N . GLY V 2 76 ? 41.637 -7.708 -45.331 1.00 53.04 ? 77 GLY b N 1 ? ? +29676 ATOM C CA . GLY V 2 76 ? 42.303 -6.772 -46.223 1.00 54.02 ? 77 GLY b CA 1 ? ? +29677 ATOM C C . GLY V 2 76 ? 42.006 -5.283 -46.050 1.00 54.52 ? 77 GLY b C 1 ? ? +29678 ATOM O O . GLY V 2 76 ? 42.497 -4.462 -46.827 1.00 54.88 ? 77 GLY b O 1 ? ? +29679 ATOM N N . TRP V 2 77 ? 41.191 -4.941 -45.044 1.00 54.33 ? 78 TRP b N 1 ? ? +29680 ATOM C CA . TRP V 2 77 ? 40.874 -3.549 -44.769 1.00 54.41 ? 78 TRP b CA 1 ? ? +29681 ATOM C CB . TRP V 2 77 ? 39.362 -3.348 -44.684 1.00 53.33 ? 78 TRP b CB 1 ? ? +29682 ATOM C CG . TRP V 2 77 ? 38.657 -4.208 -43.683 1.00 52.31 ? 78 TRP b CG 1 ? ? +29683 ATOM C CD1 . TRP V 2 77 ? 37.922 -5.323 -43.946 1.00 51.70 ? 78 TRP b CD1 1 ? ? +29684 ATOM N NE1 . TRP V 2 77 ? 37.381 -5.824 -42.786 1.00 51.06 ? 78 TRP b NE1 1 ? ? +29685 ATOM C CE2 . TRP V 2 77 ? 37.746 -5.024 -41.744 1.00 51.12 ? 78 TRP b CE2 1 ? ? +29686 ATOM C CZ2 . TRP V 2 77 ? 37.464 -5.137 -40.383 1.00 50.67 ? 78 TRP b CZ2 1 ? ? +29687 ATOM C CH2 . TRP V 2 77 ? 37.976 -4.180 -39.554 1.00 51.07 ? 78 TRP b CH2 1 ? ? +29688 ATOM C CZ3 . TRP V 2 77 ? 38.776 -3.135 -40.047 1.00 51.63 ? 78 TRP b CZ3 1 ? ? +29689 ATOM C CE3 . TRP V 2 77 ? 39.070 -3.028 -41.400 1.00 51.97 ? 78 TRP b CE3 1 ? ? +29690 ATOM C CD2 . TRP V 2 77 ? 38.555 -3.988 -42.274 1.00 51.84 ? 78 TRP b CD2 1 ? ? +29691 ATOM C C . TRP V 2 77 ? 41.549 -3.063 -43.492 1.00 55.25 ? 78 TRP b C 1 ? ? +29692 ATOM O O . TRP V 2 77 ? 41.997 -3.859 -42.671 1.00 54.97 ? 78 TRP b O 1 ? ? +29693 ATOM N N . SER V 2 78 ? 41.608 -1.736 -43.349 1.00 56.51 ? 79 SER b N 1 ? ? +29694 ATOM C CA . SER V 2 78 ? 42.147 -1.098 -42.161 1.00 57.49 ? 79 SER b CA 1 ? ? +29695 ATOM C CB . SER V 2 78 ? 43.550 -0.546 -42.413 1.00 58.00 ? 79 SER b CB 1 ? ? +29696 ATOM O OG . SER V 2 78 ? 43.508 0.729 -43.020 1.00 58.39 ? 79 SER b OG 1 ? ? +29697 ATOM C C . SER V 2 78 ? 41.189 0.009 -41.739 1.00 58.28 ? 79 SER b C 1 ? ? +29698 ATOM O O . SER V 2 78 ? 40.404 0.480 -42.548 1.00 58.32 ? 79 SER b O 1 ? ? +29699 ATOM N N . ILE V 2 79 ? 41.267 0.422 -40.474 1.00 59.77 ? 80 ILE b N 1 ? ? +29700 ATOM C CA . ILE V 2 79 ? 40.375 1.448 -39.962 1.00 61.35 ? 80 ILE b CA 1 ? ? +29701 ATOM C CB . ILE V 2 79 ? 40.371 1.472 -38.418 1.00 62.70 ? 80 ILE b CB 1 ? ? +29702 ATOM C CG1 . ILE V 2 79 ? 41.778 1.702 -37.876 1.00 64.52 ? 80 ILE b CG1 1 ? ? +29703 ATOM C CG2 . ILE V 2 79 ? 39.742 0.212 -37.842 1.00 62.45 ? 80 ILE b CG2 1 ? ? +29704 ATOM C CD1 . ILE V 2 79 ? 41.783 2.024 -36.474 1.00 65.53 ? 80 ILE b CD1 1 ? ? +29705 ATOM C C . ILE V 2 79 ? 40.684 2.845 -40.492 1.00 62.34 ? 80 ILE b C 1 ? ? +29706 ATOM O O . ILE V 2 79 ? 39.892 3.758 -40.301 1.00 62.35 ? 80 ILE b O 1 ? ? +29707 ATOM N N . THR V 2 80 ? 41.842 3.023 -41.134 1.00 63.92 ? 81 THR b N 1 ? ? +29708 ATOM C CA . THR V 2 80 ? 42.188 4.305 -41.730 1.00 65.28 ? 81 THR b CA 1 ? ? +29709 ATOM C CB . THR V 2 80 ? 43.692 4.510 -41.720 1.00 64.86 ? 81 THR b CB 1 ? ? +29710 ATOM O OG1 . THR V 2 80 ? 44.276 3.611 -42.634 1.00 65.03 ? 81 THR b OG1 1 ? ? +29711 ATOM C CG2 . THR V 2 80 ? 44.300 4.261 -40.377 1.00 64.78 ? 81 THR b CG2 1 ? ? +29712 ATOM C C . THR V 2 80 ? 41.643 4.444 -43.152 1.00 67.45 ? 81 THR b C 1 ? ? +29713 ATOM O O . THR V 2 80 ? 41.767 5.501 -43.758 1.00 68.80 ? 81 THR b O 1 ? ? +29714 ATOM N N . GLY V 2 81 ? 41.052 3.371 -43.688 1.00 69.60 ? 82 GLY b N 1 ? ? +29715 ATOM C CA . GLY V 2 81 ? 40.426 3.405 -45.002 1.00 71.53 ? 82 GLY b CA 1 ? ? +29716 ATOM C C . GLY V 2 81 ? 41.214 2.717 -46.117 1.00 73.86 ? 82 GLY b C 1 ? ? +29717 ATOM O O . GLY V 2 81 ? 40.740 2.620 -47.244 1.00 74.93 ? 82 GLY b O 1 ? ? +29718 ATOM N N . GLU V 2 82 ? 42.412 2.221 -45.802 1.00 76.30 ? 83 GLU b N 1 ? ? +29719 ATOM C CA . GLU V 2 82 ? 43.259 1.588 -46.802 1.00 78.01 ? 83 GLU b CA 1 ? ? +29720 ATOM C CB . GLU V 2 82 ? 44.705 1.487 -46.318 1.00 78.58 ? 83 GLU b CB 1 ? ? +29721 ATOM C CG . GLU V 2 82 ? 45.189 2.712 -45.577 1.00 80.87 ? 83 GLU b CG 1 ? ? +29722 ATOM C CD . GLU V 2 82 ? 46.582 2.582 -45.026 1.00 84.00 ? 83 GLU b CD 1 ? ? +29723 ATOM O OE1 . GLU V 2 82 ? 46.856 1.585 -44.317 1.00 85.28 ? 83 GLU b OE1 1 ? ? +29724 ATOM O OE2 . GLU V 2 82 ? 47.395 3.496 -45.286 1.00 87.65 ? 83 GLU b OE2 1 ? ? +29725 ATOM C C . GLU V 2 82 ? 42.712 0.196 -47.121 1.00 78.20 ? 83 GLU b C 1 ? ? +29726 ATOM O O . GLU V 2 82 ? 42.075 -0.430 -46.274 1.00 77.43 ? 83 GLU b O 1 ? ? +29727 ATOM N N . THR V 2 83 ? 42.955 -0.265 -48.357 1.00 79.05 ? 84 THR b N 1 ? ? +29728 ATOM C CA . THR V 2 83 ? 42.582 -1.602 -48.796 1.00 78.67 ? 84 THR b CA 1 ? ? +29729 ATOM C CB . THR V 2 83 ? 41.495 -1.548 -49.871 1.00 78.72 ? 84 THR b CB 1 ? ? +29730 ATOM O OG1 . THR V 2 83 ? 41.869 -0.586 -50.851 1.00 80.77 ? 84 THR b OG1 1 ? ? +29731 ATOM C CG2 . THR V 2 83 ? 40.136 -1.188 -49.317 1.00 78.73 ? 84 THR b CG2 1 ? ? +29732 ATOM C C . THR V 2 83 ? 43.803 -2.351 -49.326 1.00 80.14 ? 84 THR b C 1 ? ? +29733 ATOM O O . THR V 2 83 ? 44.799 -1.739 -49.714 1.00 78.62 ? 84 THR b O 1 ? ? +29734 ATOM N N . GLY V 2 84 ? 43.702 -3.687 -49.316 1.00 80.95 ? 85 GLY b N 1 ? ? +29735 ATOM C CA . GLY V 2 84 ? 44.736 -4.558 -49.849 1.00 81.24 ? 85 GLY b CA 1 ? ? +29736 ATOM C C . GLY V 2 84 ? 46.000 -4.626 -49.000 1.00 81.66 ? 85 GLY b C 1 ? ? +29737 ATOM O O . GLY V 2 84 ? 47.040 -5.014 -49.509 1.00 84.03 ? 85 GLY b O 1 ? ? +29738 ATOM N N . ILE V 2 85 ? 45.904 -4.243 -47.720 1.00 82.19 ? 86 ILE b N 1 ? ? +29739 ATOM C CA . ILE V 2 85 ? 47.055 -4.219 -46.829 1.00 82.42 ? 86 ILE b CA 1 ? ? +29740 ATOM C CB . ILE V 2 85 ? 46.998 -3.087 -45.757 1.00 83.53 ? 86 ILE b CB 1 ? ? +29741 ATOM C CG1 . ILE V 2 85 ? 45.799 -3.219 -44.769 1.00 82.76 ? 86 ILE b CG1 1 ? ? +29742 ATOM C CG2 . ILE V 2 85 ? 47.001 -1.727 -46.438 1.00 84.83 ? 86 ILE b CG2 1 ? ? +29743 ATOM C CD1 . ILE V 2 85 ? 45.764 -4.429 -43.837 1.00 82.22 ? 86 ILE b CD1 1 ? ? +29744 ATOM C C . ILE V 2 85 ? 47.189 -5.583 -46.165 1.00 80.12 ? 86 ILE b C 1 ? ? +29745 ATOM O O . ILE V 2 85 ? 46.217 -6.343 -46.122 1.00 81.48 ? 86 ILE b O 1 ? ? +29746 ATOM N N . ASP V 2 86 ? 48.401 -5.859 -45.660 1.00 75.93 ? 87 ASP b N 1 ? ? +29747 ATOM C CA . ASP V 2 86 ? 48.677 -7.069 -44.906 1.00 73.42 ? 87 ASP b CA 1 ? ? +29748 ATOM C CB . ASP V 2 86 ? 49.738 -7.927 -45.586 1.00 75.09 ? 87 ASP b CB 1 ? ? +29749 ATOM C CG . ASP V 2 86 ? 49.884 -9.309 -44.974 1.00 75.92 ? 87 ASP b CG 1 ? ? +29750 ATOM O OD1 . ASP V 2 86 ? 49.033 -9.684 -44.140 1.00 77.68 ? 87 ASP b OD1 1 ? ? +29751 ATOM O OD2 . ASP V 2 86 ? 50.843 -10.000 -45.315 1.00 77.50 ? 87 ASP b OD2 1 ? ? +29752 ATOM C C . ASP V 2 86 ? 49.122 -6.724 -43.486 1.00 70.28 ? 87 ASP b C 1 ? ? +29753 ATOM O O . ASP V 2 86 ? 50.224 -6.222 -43.277 1.00 69.95 ? 87 ASP b O 1 ? ? +29754 ATOM N N . PRO V 2 87 ? 48.267 -6.983 -42.468 1.00 66.71 ? 88 PRO b N 1 ? ? +29755 ATOM C CA . PRO V 2 87 ? 48.600 -6.655 -41.081 1.00 65.05 ? 88 PRO b CA 1 ? ? +29756 ATOM C CB . PRO V 2 87 ? 47.216 -6.615 -40.420 1.00 64.71 ? 88 PRO b CB 1 ? ? +29757 ATOM C CG . PRO V 2 87 ? 46.398 -7.588 -41.196 1.00 64.86 ? 88 PRO b CG 1 ? ? +29758 ATOM C CD . PRO V 2 87 ? 46.923 -7.577 -42.605 1.00 65.62 ? 88 PRO b CD 1 ? ? +29759 ATOM C C . PRO V 2 87 ? 49.508 -7.654 -40.366 1.00 62.96 ? 88 PRO b C 1 ? ? +29760 ATOM O O . PRO V 2 87 ? 49.861 -7.439 -39.210 1.00 62.74 ? 88 PRO b O 1 ? ? +29761 ATOM N N . GLY V 2 88 ? 49.863 -8.753 -41.040 1.00 60.99 ? 89 GLY b N 1 ? ? +29762 ATOM C CA . GLY V 2 88 ? 50.469 -9.896 -40.376 1.00 59.86 ? 89 GLY b CA 1 ? ? +29763 ATOM C C . GLY V 2 88 ? 49.512 -10.661 -39.464 1.00 58.70 ? 89 GLY b C 1 ? ? +29764 ATOM O O . GLY V 2 88 ? 48.283 -10.607 -39.628 1.00 58.64 ? 89 GLY b O 1 ? ? +29765 ATOM N N . PHE V 2 89 ? 50.087 -11.368 -38.485 1.00 57.75 ? 90 PHE b N 1 ? ? +29766 ATOM C CA . PHE V 2 89 ? 49.312 -12.149 -37.536 1.00 56.50 ? 90 PHE b CA 1 ? ? +29767 ATOM C CB . PHE V 2 89 ? 50.209 -13.070 -36.669 1.00 57.16 ? 90 PHE b CB 1 ? ? +29768 ATOM C CG . PHE V 2 89 ? 49.363 -13.870 -35.724 1.00 57.28 ? 90 PHE b CG 1 ? ? +29769 ATOM C CD1 . PHE V 2 89 ? 48.515 -14.857 -36.199 1.00 57.26 ? 90 PHE b CD1 1 ? ? +29770 ATOM C CD2 . PHE V 2 89 ? 49.319 -13.561 -34.374 1.00 57.76 ? 90 PHE b CD2 1 ? ? +29771 ATOM C CE1 . PHE V 2 89 ? 47.672 -15.560 -35.334 1.00 56.95 ? 90 PHE b CE1 1 ? ? +29772 ATOM C CE2 . PHE V 2 89 ? 48.448 -14.247 -33.510 1.00 57.63 ? 90 PHE b CE2 1 ? ? +29773 ATOM C CZ . PHE V 2 89 ? 47.638 -15.246 -33.996 1.00 57.01 ? 90 PHE b CZ 1 ? ? +29774 ATOM C C . PHE V 2 89 ? 48.455 -11.236 -36.652 1.00 55.16 ? 90 PHE b C 1 ? ? +29775 ATOM O O . PHE V 2 89 ? 47.270 -11.516 -36.411 1.00 53.93 ? 90 PHE b O 1 ? ? +29776 ATOM N N . TRP V 2 90 ? 49.052 -10.124 -36.193 1.00 54.44 ? 91 TRP b N 1 ? ? +29777 ATOM C CA . TRP V 2 90 ? 48.398 -9.247 -35.232 1.00 53.52 ? 91 TRP b CA 1 ? ? +29778 ATOM C CB . TRP V 2 90 ? 49.435 -8.495 -34.419 1.00 53.86 ? 91 TRP b CB 1 ? ? +29779 ATOM C CG . TRP V 2 90 ? 50.325 -9.401 -33.621 1.00 54.06 ? 91 TRP b CG 1 ? ? +29780 ATOM C CD1 . TRP V 2 90 ? 51.685 -9.526 -33.731 1.00 54.59 ? 91 TRP b CD1 1 ? ? +29781 ATOM N NE1 . TRP V 2 90 ? 52.145 -10.448 -32.827 1.00 54.58 ? 91 TRP b NE1 1 ? ? +29782 ATOM C CE2 . TRP V 2 90 ? 51.093 -10.934 -32.100 1.00 53.95 ? 91 TRP b CE2 1 ? ? +29783 ATOM C CZ2 . TRP V 2 90 ? 51.066 -11.875 -31.084 1.00 53.83 ? 91 TRP b CZ2 1 ? ? +29784 ATOM C CH2 . TRP V 2 90 ? 49.844 -12.180 -30.537 1.00 53.28 ? 91 TRP b CH2 1 ? ? +29785 ATOM C CZ3 . TRP V 2 90 ? 48.667 -11.562 -30.978 1.00 52.73 ? 91 TRP b CZ3 1 ? ? +29786 ATOM C CE3 . TRP V 2 90 ? 48.692 -10.627 -31.992 1.00 52.89 ? 91 TRP b CE3 1 ? ? +29787 ATOM C CD2 . TRP V 2 90 ? 49.925 -10.302 -32.577 1.00 53.54 ? 91 TRP b CD2 1 ? ? +29788 ATOM C C . TRP V 2 90 ? 47.395 -8.291 -35.873 1.00 52.70 ? 91 TRP b C 1 ? ? +29789 ATOM O O . TRP V 2 90 ? 47.561 -7.072 -35.825 1.00 53.06 ? 91 TRP b O 1 ? ? +29790 ATOM N N . SER V 2 91 ? 46.373 -8.892 -36.489 1.00 51.50 ? 92 SER b N 1 ? ? +29791 ATOM C CA . SER V 2 91 ? 45.152 -8.219 -36.900 1.00 50.67 ? 92 SER b CA 1 ? ? +29792 ATOM C CB . SER V 2 91 ? 44.547 -8.936 -38.098 1.00 50.19 ? 92 SER b CB 1 ? ? +29793 ATOM O OG . SER V 2 91 ? 44.084 -10.214 -37.685 1.00 49.66 ? 92 SER b OG 1 ? ? +29794 ATOM C C . SER V 2 91 ? 44.141 -8.263 -35.758 1.00 50.00 ? 92 SER b C 1 ? ? +29795 ATOM O O . SER V 2 91 ? 44.339 -8.979 -34.774 1.00 49.85 ? 92 SER b O 1 ? ? +29796 ATOM N N . PHE V 2 92 ? 43.023 -7.542 -35.922 1.00 49.49 ? 93 PHE b N 1 ? ? +29797 ATOM C CA . PHE V 2 92 ? 41.906 -7.637 -34.987 1.00 48.80 ? 93 PHE b CA 1 ? ? +29798 ATOM C CB . PHE V 2 92 ? 40.672 -6.884 -35.531 1.00 48.50 ? 93 PHE b CB 1 ? ? +29799 ATOM C CG . PHE V 2 92 ? 40.902 -5.391 -35.660 1.00 48.90 ? 93 PHE b CG 1 ? ? +29800 ATOM C CD1 . PHE V 2 92 ? 41.214 -4.626 -34.552 1.00 49.16 ? 93 PHE b CD1 1 ? ? +29801 ATOM C CD2 . PHE V 2 92 ? 40.829 -4.762 -36.895 1.00 49.03 ? 93 PHE b CD2 1 ? ? +29802 ATOM C CE1 . PHE V 2 92 ? 41.454 -3.250 -34.674 1.00 49.52 ? 93 PHE b CE1 1 ? ? +29803 ATOM C CE2 . PHE V 2 92 ? 41.080 -3.392 -37.018 1.00 49.40 ? 93 PHE b CE2 1 ? ? +29804 ATOM C CZ . PHE V 2 92 ? 41.392 -2.644 -35.906 1.00 49.66 ? 93 PHE b CZ 1 ? ? +29805 ATOM C C . PHE V 2 92 ? 41.587 -9.100 -34.685 1.00 48.25 ? 93 PHE b C 1 ? ? +29806 ATOM O O . PHE V 2 92 ? 41.486 -9.497 -33.521 1.00 48.01 ? 93 PHE b O 1 ? ? +29807 ATOM N N . GLU V 2 93 ? 41.500 -9.910 -35.745 1.00 48.09 ? 94 GLU b N 1 ? ? +29808 ATOM C CA . GLU V 2 93 ? 41.247 -11.335 -35.614 1.00 47.90 ? 94 GLU b CA 1 ? ? +29809 ATOM C CB . GLU V 2 93 ? 41.138 -11.985 -36.988 1.00 48.01 ? 94 GLU b CB 1 ? ? +29810 ATOM C CG . GLU V 2 93 ? 40.032 -11.407 -37.860 1.00 47.82 ? 94 GLU b CG 1 ? ? +29811 ATOM C CD . GLU V 2 93 ? 40.442 -10.232 -38.722 1.00 48.23 ? 94 GLU b CD 1 ? ? +29812 ATOM O OE1 . GLU V 2 93 ? 41.657 -9.894 -38.763 1.00 48.63 ? 94 GLU b OE1 1 ? ? +29813 ATOM O OE2 . GLU V 2 93 ? 39.531 -9.642 -39.356 1.00 48.00 ? 94 GLU b OE2 1 ? ? +29814 ATOM C C . GLU V 2 93 ? 42.332 -12.074 -34.839 1.00 48.25 ? 94 GLU b C 1 ? ? +29815 ATOM O O . GLU V 2 93 ? 42.029 -12.876 -33.953 1.00 47.87 ? 94 GLU b O 1 ? ? +29816 ATOM N N . GLY V 2 94 ? 43.600 -11.809 -35.202 1.00 48.84 ? 95 GLY b N 1 ? ? +29817 ATOM C CA . GLY V 2 94 ? 44.709 -12.443 -34.520 1.00 49.34 ? 95 GLY b CA 1 ? ? +29818 ATOM C C . GLY V 2 94 ? 44.698 -12.160 -33.022 1.00 49.46 ? 95 GLY b C 1 ? ? +29819 ATOM O O . GLY V 2 94 ? 44.844 -13.072 -32.217 1.00 49.45 ? 95 GLY b O 1 ? ? +29820 ATOM N N . VAL V 2 95 ? 44.528 -10.883 -32.669 1.00 49.74 ? 96 VAL b N 1 ? ? +29821 ATOM C CA . VAL V 2 95 ? 44.387 -10.469 -31.282 1.00 50.01 ? 96 VAL b CA 1 ? ? +29822 ATOM C CB . VAL V 2 95 ? 44.199 -8.930 -31.199 1.00 50.23 ? 96 VAL b CB 1 ? ? +29823 ATOM C CG1 . VAL V 2 95 ? 43.913 -8.488 -29.778 1.00 50.24 ? 96 VAL b CG1 1 ? ? +29824 ATOM C CG2 . VAL V 2 95 ? 45.394 -8.170 -31.750 1.00 50.98 ? 96 VAL b CG2 1 ? ? +29825 ATOM C C . VAL V 2 95 ? 43.239 -11.192 -30.569 1.00 49.66 ? 96 VAL b C 1 ? ? +29826 ATOM O O . VAL V 2 95 ? 43.428 -11.661 -29.445 1.00 49.72 ? 96 VAL b O 1 ? ? +29827 ATOM N N . ALA V 2 96 ? 42.058 -11.289 -31.212 1.00 49.29 ? 97 ALA b N 1 ? ? +29828 ATOM C CA . ALA V 2 96 ? 40.937 -11.976 -30.588 1.00 49.05 ? 97 ALA b CA 1 ? ? +29829 ATOM C CB . ALA V 2 96 ? 39.667 -11.869 -31.437 1.00 48.59 ? 97 ALA b CB 1 ? ? +29830 ATOM C C . ALA V 2 96 ? 41.272 -13.442 -30.332 1.00 49.41 ? 97 ALA b C 1 ? ? +29831 ATOM O O . ALA V 2 96 ? 41.084 -13.940 -29.231 1.00 48.97 ? 97 ALA b O 1 ? ? +29832 ATOM N N . LEU V 2 97 ? 41.790 -14.117 -31.364 1.00 50.39 ? 98 LEU b N 1 ? ? +29833 ATOM C CA . LEU V 2 97 ? 42.208 -15.507 -31.258 1.00 51.39 ? 98 LEU b CA 1 ? ? +29834 ATOM C CB . LEU V 2 97 ? 42.831 -15.975 -32.596 1.00 52.84 ? 98 LEU b CB 1 ? ? +29835 ATOM C CG . LEU V 2 97 ? 43.403 -17.421 -32.626 1.00 53.76 ? 98 LEU b CG 1 ? ? +29836 ATOM C CD1 . LEU V 2 97 ? 42.274 -18.470 -32.607 1.00 53.73 ? 98 LEU b CD1 1 ? ? +29837 ATOM C CD2 . LEU V 2 97 ? 44.324 -17.621 -33.830 1.00 54.34 ? 98 LEU b CD2 1 ? ? +29838 ATOM C C . LEU V 2 97 ? 43.230 -15.740 -30.143 1.00 51.28 ? 98 LEU b C 1 ? ? +29839 ATOM O O . LEU V 2 97 ? 43.115 -16.719 -29.405 1.00 51.24 ? 98 LEU b O 1 ? ? +29840 ATOM N N . ALA V 2 98 ? 44.216 -14.844 -30.011 1.00 51.08 ? 99 ALA b N 1 ? ? +29841 ATOM C CA . ALA V 2 98 ? 45.238 -15.026 -28.988 1.00 51.40 ? 99 ALA b CA 1 ? ? +29842 ATOM C CB . ALA V 2 98 ? 46.364 -13.997 -29.120 1.00 51.95 ? 99 ALA b CB 1 ? ? +29843 ATOM C C . ALA V 2 98 ? 44.621 -14.957 -27.594 1.00 50.87 ? 99 ALA b C 1 ? ? +29844 ATOM O O . ALA V 2 98 ? 45.038 -15.673 -26.686 1.00 51.06 ? 99 ALA b O 1 ? ? +29845 ATOM N N . HIS V 2 99 ? 43.628 -14.077 -27.425 1.00 50.16 ? 100 HIS b N 1 ? ? +29846 ATOM C CA . HIS V 2 99 ? 42.939 -13.970 -26.149 1.00 49.63 ? 100 HIS b CA 1 ? ? +29847 ATOM C CB . HIS V 2 99 ? 42.050 -12.721 -26.081 1.00 49.14 ? 100 HIS b CB 1 ? ? +29848 ATOM C CG . HIS V 2 99 ? 42.855 -11.476 -25.847 1.00 49.33 ? 100 HIS b CG 1 ? ? +29849 ATOM N ND1 . HIS V 2 99 ? 43.429 -10.796 -26.887 1.00 49.41 ? 100 HIS b ND1 1 ? ? +29850 ATOM C CE1 . HIS V 2 99 ? 44.040 -9.753 -26.346 1.00 49.79 ? 100 HIS b CE1 1 ? ? +29851 ATOM N NE2 . HIS V 2 99 ? 43.896 -9.747 -25.027 1.00 49.81 ? 100 HIS b NE2 1 ? ? +29852 ATOM C CD2 . HIS V 2 99 ? 43.129 -10.825 -24.697 1.00 49.44 ? 100 HIS b CD2 1 ? ? +29853 ATOM C C . HIS V 2 99 ? 42.163 -15.243 -25.833 1.00 49.07 ? 100 HIS b C 1 ? ? +29854 ATOM O O . HIS V 2 99 ? 42.142 -15.673 -24.692 1.00 48.96 ? 100 HIS b O 1 ? ? +29855 ATOM N N . ILE V 2 100 ? 41.579 -15.866 -26.859 1.00 48.87 ? 101 ILE b N 1 ? ? +29856 ATOM C CA . ILE V 2 100 ? 40.794 -17.078 -26.674 1.00 48.54 ? 101 ILE b CA 1 ? ? +29857 ATOM C CB . ILE V 2 100 ? 39.954 -17.406 -27.914 1.00 48.33 ? 101 ILE b CB 1 ? ? +29858 ATOM C CG1 . ILE V 2 100 ? 38.925 -16.303 -28.201 1.00 48.25 ? 101 ILE b CG1 1 ? ? +29859 ATOM C CG2 . ILE V 2 100 ? 39.254 -18.775 -27.789 1.00 47.97 ? 101 ILE b CG2 1 ? ? +29860 ATOM C CD1 . ILE V 2 100 ? 37.874 -16.190 -27.224 1.00 48.08 ? 101 ILE b CD1 1 ? ? +29861 ATOM C C . ILE V 2 100 ? 41.702 -18.245 -26.309 1.00 48.68 ? 101 ILE b C 1 ? ? +29862 ATOM O O . ILE V 2 100 ? 41.376 -19.034 -25.423 1.00 48.52 ? 101 ILE b O 1 ? ? +29863 ATOM N N . VAL V 2 101 ? 42.852 -18.343 -26.987 1.00 48.93 ? 102 VAL b N 1 ? ? +29864 ATOM C CA . VAL V 2 101 ? 43.794 -19.402 -26.673 1.00 49.09 ? 102 VAL b CA 1 ? ? +29865 ATOM C CB . VAL V 2 101 ? 44.920 -19.506 -27.727 1.00 49.63 ? 102 VAL b CB 1 ? ? +29866 ATOM C CG1 . VAL V 2 101 ? 45.959 -20.551 -27.345 1.00 50.08 ? 102 VAL b CG1 1 ? ? +29867 ATOM C CG2 . VAL V 2 101 ? 44.316 -19.814 -29.102 1.00 49.33 ? 102 VAL b CG2 1 ? ? +29868 ATOM C C . VAL V 2 101 ? 44.289 -19.186 -25.248 1.00 49.12 ? 102 VAL b C 1 ? ? +29869 ATOM O O . VAL V 2 101 ? 44.266 -20.111 -24.445 1.00 49.18 ? 102 VAL b O 1 ? ? +29870 ATOM N N . LEU V 2 102 ? 44.672 -17.954 -24.915 1.00 49.12 ? 103 LEU b N 1 ? ? +29871 ATOM C CA . LEU V 2 102 ? 45.142 -17.651 -23.572 1.00 49.35 ? 103 LEU b CA 1 ? ? +29872 ATOM C CB . LEU V 2 102 ? 45.439 -16.165 -23.444 1.00 49.53 ? 103 LEU b CB 1 ? ? +29873 ATOM C CG . LEU V 2 102 ? 45.863 -15.714 -22.067 1.00 49.96 ? 103 LEU b CG 1 ? ? +29874 ATOM C CD1 . LEU V 2 102 ? 47.277 -16.231 -21.717 1.00 50.68 ? 103 LEU b CD1 1 ? ? +29875 ATOM C CD2 . LEU V 2 102 ? 45.793 -14.212 -21.961 1.00 50.06 ? 103 LEU b CD2 1 ? ? +29876 ATOM C C . LEU V 2 102 ? 44.116 -18.071 -22.521 1.00 48.87 ? 103 LEU b C 1 ? ? +29877 ATOM O O . LEU V 2 102 ? 44.450 -18.678 -21.507 1.00 49.05 ? 103 LEU b O 1 ? ? +29878 ATOM N N . SER V 2 103 ? 42.852 -17.734 -22.770 1.00 48.23 ? 104 SER b N 1 ? ? +29879 ATOM C CA . SER V 2 103 ? 41.774 -18.104 -21.873 1.00 47.81 ? 104 SER b CA 1 ? ? +29880 ATOM C CB . SER V 2 103 ? 40.431 -17.691 -22.466 1.00 47.14 ? 104 SER b CB 1 ? ? +29881 ATOM O OG . SER V 2 103 ? 39.414 -18.239 -21.663 1.00 46.80 ? 104 SER b OG 1 ? ? +29882 ATOM C C . SER V 2 103 ? 41.791 -19.601 -21.574 1.00 47.88 ? 104 SER b C 1 ? ? +29883 ATOM O O . SER V 2 103 ? 41.734 -20.001 -20.415 1.00 47.96 ? 104 SER b O 1 ? ? +29884 ATOM N N . GLY V 2 104 ? 41.889 -20.423 -22.628 1.00 47.90 ? 105 GLY b N 1 ? ? +29885 ATOM C CA . GLY V 2 104 ? 41.884 -21.872 -22.485 1.00 48.01 ? 105 GLY b CA 1 ? ? +29886 ATOM C C . GLY V 2 104 ? 43.046 -22.412 -21.653 1.00 48.81 ? 105 GLY b C 1 ? ? +29887 ATOM O O . GLY V 2 104 ? 42.847 -23.260 -20.776 1.00 48.83 ? 105 GLY b O 1 ? ? +29888 ATOM N N . LEU V 2 105 ? 44.261 -21.910 -21.948 1.00 49.42 ? 106 LEU b N 1 ? ? +29889 ATOM C CA . LEU V 2 105 ? 45.453 -22.298 -21.224 1.00 50.15 ? 106 LEU b CA 1 ? ? +29890 ATOM C CB . LEU V 2 105 ? 46.677 -21.582 -21.836 1.00 50.88 ? 106 LEU b CB 1 ? ? +29891 ATOM C CG . LEU V 2 105 ? 47.082 -22.008 -23.245 1.00 51.05 ? 106 LEU b CG 1 ? ? +29892 ATOM C CD1 . LEU V 2 105 ? 48.352 -21.332 -23.688 1.00 51.65 ? 106 LEU b CD1 1 ? ? +29893 ATOM C CD2 . LEU V 2 105 ? 47.332 -23.509 -23.337 1.00 51.29 ? 106 LEU b CD2 1 ? ? +29894 ATOM C C . LEU V 2 105 ? 45.334 -21.951 -19.743 1.00 50.36 ? 106 LEU b C 1 ? ? +29895 ATOM O O . LEU V 2 105 ? 45.697 -22.764 -18.888 1.00 50.73 ? 106 LEU b O 1 ? ? +29896 ATOM N N . LEU V 2 106 ? 44.846 -20.735 -19.444 1.00 50.24 ? 107 LEU b N 1 ? ? +29897 ATOM C CA . LEU V 2 106 ? 44.657 -20.312 -18.063 1.00 50.50 ? 107 LEU b CA 1 ? ? +29898 ATOM C CB . LEU V 2 106 ? 44.181 -18.861 -17.996 1.00 50.26 ? 107 LEU b CB 1 ? ? +29899 ATOM C CG . LEU V 2 106 ? 45.204 -17.808 -18.415 1.00 50.68 ? 107 LEU b CG 1 ? ? +29900 ATOM C CD1 . LEU V 2 106 ? 44.618 -16.428 -18.366 1.00 50.40 ? 107 LEU b CD1 1 ? ? +29901 ATOM C CD2 . LEU V 2 106 ? 46.429 -17.839 -17.540 1.00 51.41 ? 107 LEU b CD2 1 ? ? +29902 ATOM C C . LEU V 2 106 ? 43.660 -21.204 -17.329 1.00 50.42 ? 107 LEU b C 1 ? ? +29903 ATOM O O . LEU V 2 106 ? 43.831 -21.499 -16.147 1.00 50.71 ? 107 LEU b O 1 ? ? +29904 ATOM N N . PHE V 2 107 ? 42.620 -21.630 -18.049 1.00 50.14 ? 108 PHE b N 1 ? ? +29905 ATOM C CA . PHE V 2 107 ? 41.604 -22.497 -17.482 1.00 50.13 ? 108 PHE b CA 1 ? ? +29906 ATOM C CB . PHE V 2 107 ? 40.458 -22.695 -18.493 1.00 49.77 ? 108 PHE b CB 1 ? ? +29907 ATOM C CG . PHE V 2 107 ? 39.492 -23.778 -18.155 1.00 49.89 ? 108 PHE b CG 1 ? ? +29908 ATOM C CD2 . PHE V 2 107 ? 38.263 -23.475 -17.601 1.00 49.90 ? 108 PHE b CD2 1 ? ? +29909 ATOM C CD1 . PHE V 2 107 ? 39.764 -25.100 -18.470 1.00 50.34 ? 108 PHE b CD1 1 ? ? +29910 ATOM C CE2 . PHE V 2 107 ? 37.333 -24.489 -17.318 1.00 49.80 ? 108 PHE b CE2 1 ? ? +29911 ATOM C CE1 . PHE V 2 107 ? 38.831 -26.110 -18.190 1.00 50.25 ? 108 PHE b CE1 1 ? ? +29912 ATOM C CZ . PHE V 2 107 ? 37.627 -25.797 -17.619 1.00 49.93 ? 108 PHE b CZ 1 ? ? +29913 ATOM C C . PHE V 2 107 ? 42.244 -23.820 -17.073 1.00 50.33 ? 108 PHE b C 1 ? ? +29914 ATOM O O . PHE V 2 107 ? 41.994 -24.313 -15.975 1.00 50.30 ? 108 PHE b O 1 ? ? +29915 ATOM N N . LEU V 2 108 ? 43.062 -24.392 -17.959 1.00 50.51 ? 109 LEU b N 1 ? ? +29916 ATOM C CA . LEU V 2 108 ? 43.741 -25.643 -17.636 1.00 51.01 ? 109 LEU b CA 1 ? ? +29917 ATOM C CB . LEU V 2 108 ? 44.552 -26.174 -18.829 1.00 51.61 ? 109 LEU b CB 1 ? ? +29918 ATOM C CG . LEU V 2 108 ? 43.707 -26.666 -20.022 1.00 51.43 ? 109 LEU b CG 1 ? ? +29919 ATOM C CD1 . LEU V 2 108 ? 44.604 -27.176 -21.133 1.00 51.95 ? 109 LEU b CD1 1 ? ? +29920 ATOM C CD2 . LEU V 2 108 ? 42.730 -27.775 -19.628 1.00 51.14 ? 109 LEU b CD2 1 ? ? +29921 ATOM C C . LEU V 2 108 ? 44.659 -25.521 -16.423 1.00 51.05 ? 109 LEU b C 1 ? ? +29922 ATOM O O . LEU V 2 108 ? 44.710 -26.429 -15.595 1.00 51.00 ? 109 LEU b O 1 ? ? +29923 ATOM N N . ALA V 2 109 ? 45.339 -24.377 -16.318 1.00 51.07 ? 110 ALA b N 1 ? ? +29924 ATOM C CA . ALA V 2 109 ? 46.230 -24.110 -15.198 1.00 51.54 ? 110 ALA b CA 1 ? ? +29925 ATOM C CB . ALA V 2 109 ? 47.039 -22.848 -15.449 1.00 51.82 ? 110 ALA b CB 1 ? ? +29926 ATOM C C . ALA V 2 109 ? 45.445 -23.977 -13.896 1.00 51.25 ? 110 ALA b C 1 ? ? +29927 ATOM O O . ALA V 2 109 ? 45.911 -24.407 -12.842 1.00 51.51 ? 110 ALA b O 1 ? ? +29928 ATOM N N . ALA V 2 110 ? 44.249 -23.370 -13.986 1.00 50.51 ? 111 ALA b N 1 ? ? +29929 ATOM C CA . ALA V 2 110 ? 43.356 -23.270 -12.842 1.00 50.21 ? 111 ALA b CA 1 ? ? +29930 ATOM C CB . ALA V 2 110 ? 42.079 -22.554 -13.212 1.00 49.59 ? 111 ALA b CB 1 ? ? +29931 ATOM C C . ALA V 2 110 ? 43.028 -24.644 -12.276 1.00 50.14 ? 111 ALA b C 1 ? ? +29932 ATOM O O . ALA V 2 110 ? 43.036 -24.838 -11.068 1.00 50.48 ? 111 ALA b O 1 ? ? +29933 ATOM N N . CYS V 2 111 ? 42.755 -25.599 -13.163 1.00 49.86 ? 112 CYS b N 1 ? ? +29934 ATOM C CA . CYS V 2 111 ? 42.402 -26.950 -12.758 1.00 49.86 ? 112 CYS b CA 1 ? ? +29935 ATOM C CB . CYS V 2 111 ? 42.007 -27.788 -13.969 1.00 49.55 ? 112 CYS b CB 1 ? ? +29936 ATOM S SG . CYS V 2 111 ? 40.396 -27.362 -14.671 1.00 48.82 ? 112 CYS b SG 1 ? ? +29937 ATOM C C . CYS V 2 111 ? 43.541 -27.604 -11.983 1.00 50.46 ? 112 CYS b C 1 ? ? +29938 ATOM O O . CYS V 2 111 ? 43.337 -28.188 -10.922 1.00 50.48 ? 112 CYS b O 1 ? ? +29939 ATOM N N . TRP V 2 112 ? 44.750 -27.498 -12.532 1.00 50.86 ? 113 TRP b N 1 ? ? +29940 ATOM C CA . TRP V 2 112 ? 45.907 -28.093 -11.890 1.00 51.60 ? 113 TRP b CA 1 ? ? +29941 ATOM C CB . TRP V 2 112 ? 47.163 -27.877 -12.749 1.00 51.96 ? 113 TRP b CB 1 ? ? +29942 ATOM C CG . TRP V 2 112 ? 48.321 -28.663 -12.281 1.00 52.65 ? 113 TRP b CG 1 ? ? +29943 ATOM C CD1 . TRP V 2 112 ? 48.702 -29.889 -12.727 1.00 52.88 ? 113 TRP b CD1 1 ? ? +29944 ATOM N NE1 . TRP V 2 112 ? 49.834 -30.307 -12.064 1.00 53.69 ? 113 TRP b NE1 1 ? ? +29945 ATOM C CE2 . TRP V 2 112 ? 50.200 -29.343 -11.163 1.00 53.97 ? 113 TRP b CE2 1 ? ? +29946 ATOM C CZ2 . TRP V 2 112 ? 51.272 -29.303 -10.272 1.00 54.67 ? 113 TRP b CZ2 1 ? ? +29947 ATOM C CH2 . TRP V 2 112 ? 51.391 -28.191 -9.486 1.00 54.85 ? 113 TRP b CH2 1 ? ? +29948 ATOM C CZ3 . TRP V 2 112 ? 50.478 -27.129 -9.572 1.00 54.32 ? 113 TRP b CZ3 1 ? ? +29949 ATOM C CE3 . TRP V 2 112 ? 49.398 -27.171 -10.453 1.00 53.49 ? 113 TRP b CE3 1 ? ? +29950 ATOM C CD2 . TRP V 2 112 ? 49.250 -28.294 -11.267 1.00 53.32 ? 113 TRP b CD2 1 ? ? +29951 ATOM C C . TRP V 2 112 ? 46.083 -27.529 -10.483 1.00 52.07 ? 113 TRP b C 1 ? ? +29952 ATOM O O . TRP V 2 112 ? 46.272 -28.265 -9.521 1.00 52.37 ? 113 TRP b O 1 ? ? +29953 ATOM N N . HIS V 2 113 ? 46.002 -26.205 -10.370 1.00 52.20 ? 114 HIS b N 1 ? ? +29954 ATOM C CA . HIS V 2 113 ? 46.201 -25.553 -9.090 1.00 52.79 ? 114 HIS b CA 1 ? ? +29955 ATOM C CB . HIS V 2 113 ? 46.434 -24.062 -9.309 1.00 52.73 ? 114 HIS b CB 1 ? ? +29956 ATOM C CG . HIS V 2 113 ? 47.881 -23.743 -9.488 1.00 53.37 ? 114 HIS b CG 1 ? ? +29957 ATOM N ND1 . HIS V 2 113 ? 48.738 -23.823 -8.439 1.00 54.11 ? 114 HIS b ND1 1 ? ? +29958 ATOM C CE1 . HIS V 2 113 ? 49.931 -23.481 -8.920 1.00 54.60 ? 114 HIS b CE1 1 ? ? +29959 ATOM N NE2 . HIS V 2 113 ? 49.856 -23.194 -10.217 1.00 54.19 ? 114 HIS b NE2 1 ? ? +29960 ATOM C CD2 . HIS V 2 113 ? 48.561 -23.362 -10.592 1.00 53.42 ? 114 HIS b CD2 1 ? ? +29961 ATOM C C . HIS V 2 113 ? 45.055 -25.814 -8.114 1.00 52.83 ? 114 HIS b C 1 ? ? +29962 ATOM O O . HIS V 2 113 ? 45.253 -25.796 -6.906 1.00 53.22 ? 114 HIS b O 1 ? ? +29963 ATOM N N . TRP V 2 114 ? 43.854 -26.088 -8.629 1.00 52.49 ? 115 TRP b N 1 ? ? +29964 ATOM C CA . TRP V 2 114 ? 42.767 -26.472 -7.749 1.00 52.72 ? 115 TRP b CA 1 ? ? +29965 ATOM C CB . TRP V 2 114 ? 41.450 -26.444 -8.507 1.00 52.40 ? 115 TRP b CB 1 ? ? +29966 ATOM C CG . TRP V 2 114 ? 40.290 -26.707 -7.631 1.00 52.62 ? 115 TRP b CG 1 ? ? +29967 ATOM C CD1 . TRP V 2 114 ? 39.648 -27.892 -7.472 1.00 52.83 ? 115 TRP b CD1 1 ? ? +29968 ATOM N NE1 . TRP V 2 114 ? 38.610 -27.750 -6.590 1.00 52.89 ? 115 TRP b NE1 1 ? ? +29969 ATOM C CE2 . TRP V 2 114 ? 38.574 -26.455 -6.144 1.00 52.87 ? 115 TRP b CE2 1 ? ? +29970 ATOM C CZ2 . TRP V 2 114 ? 37.706 -25.833 -5.245 1.00 52.90 ? 115 TRP b CZ2 1 ? ? +29971 ATOM C CH2 . TRP V 2 114 ? 37.906 -24.507 -4.991 1.00 52.95 ? 115 TRP b CH2 1 ? ? +29972 ATOM C CZ3 . TRP V 2 114 ? 38.945 -23.797 -5.603 1.00 53.18 ? 115 TRP b CZ3 1 ? ? +29973 ATOM C CE3 . TRP V 2 114 ? 39.804 -24.409 -6.503 1.00 53.15 ? 115 TRP b CE3 1 ? ? +29974 ATOM C CD2 . TRP V 2 114 ? 39.620 -25.767 -6.787 1.00 52.89 ? 115 TRP b CD2 1 ? ? +29975 ATOM C C . TRP V 2 114 ? 42.982 -27.854 -7.131 1.00 53.15 ? 115 TRP b C 1 ? ? +29976 ATOM O O . TRP V 2 114 ? 42.793 -28.044 -5.925 1.00 53.31 ? 115 TRP b O 1 ? ? +29977 ATOM N N . VAL V 2 115 ? 43.376 -28.816 -7.974 1.00 53.33 ? 116 VAL b N 1 ? ? +29978 ATOM C CA . VAL V 2 115 ? 43.602 -30.179 -7.525 1.00 53.90 ? 116 VAL b CA 1 ? ? +29979 ATOM C CB . VAL V 2 115 ? 43.665 -31.144 -8.728 1.00 53.69 ? 116 VAL b CB 1 ? ? +29980 ATOM C CG1 . VAL V 2 115 ? 44.105 -32.537 -8.306 1.00 54.22 ? 116 VAL b CG1 1 ? ? +29981 ATOM C CG2 . VAL V 2 115 ? 42.341 -31.199 -9.457 1.00 52.92 ? 116 VAL b CG2 1 ? ? +29982 ATOM C C . VAL V 2 115 ? 44.857 -30.294 -6.658 1.00 55.01 ? 116 VAL b C 1 ? ? +29983 ATOM O O . VAL V 2 115 ? 44.796 -30.903 -5.599 1.00 55.42 ? 116 VAL b O 1 ? ? +29984 ATOM N N . TYR V 2 116 ? 45.977 -29.716 -7.106 1.00 55.69 ? 117 TYR b N 1 ? ? +29985 ATOM C CA . TYR V 2 116 ? 47.240 -29.812 -6.381 1.00 57.11 ? 117 TYR b CA 1 ? ? +29986 ATOM C CB . TYR V 2 116 ? 48.406 -30.055 -7.340 1.00 57.72 ? 117 TYR b CB 1 ? ? +29987 ATOM C CG . TYR V 2 116 ? 48.243 -31.337 -8.110 1.00 57.92 ? 117 TYR b CG 1 ? ? +29988 ATOM C CD1 . TYR V 2 116 ? 48.454 -32.568 -7.503 1.00 58.65 ? 117 TYR b CD1 1 ? ? +29989 ATOM C CD2 . TYR V 2 116 ? 47.817 -31.327 -9.427 1.00 57.59 ? 117 TYR b CD2 1 ? ? +29990 ATOM C CE1 . TYR V 2 116 ? 48.287 -33.754 -8.206 1.00 58.75 ? 117 TYR b CE1 1 ? ? +29991 ATOM C CE2 . TYR V 2 116 ? 47.640 -32.502 -10.138 1.00 57.66 ? 117 TYR b CE2 1 ? ? +29992 ATOM C CZ . TYR V 2 116 ? 47.878 -33.714 -9.525 1.00 58.36 ? 117 TYR b CZ 1 ? ? +29993 ATOM O OH . TYR V 2 116 ? 47.699 -34.869 -10.239 1.00 58.96 ? 117 TYR b OH 1 ? ? +29994 ATOM C C . TYR V 2 116 ? 47.481 -28.564 -5.537 1.00 57.59 ? 117 TYR b C 1 ? ? +29995 ATOM O O . TYR V 2 116 ? 48.468 -27.841 -5.711 1.00 57.76 ? 117 TYR b O 1 ? ? +29996 ATOM N N . TRP V 2 117 ? 46.539 -28.341 -4.615 1.00 57.55 ? 118 TRP b N 1 ? ? +29997 ATOM C CA . TRP V 2 117 ? 46.532 -27.171 -3.750 1.00 57.76 ? 118 TRP b CA 1 ? ? +29998 ATOM C CB . TRP V 2 117 ? 45.137 -26.985 -3.090 1.00 57.01 ? 118 TRP b CB 1 ? ? +29999 ATOM C CG . TRP V 2 117 ? 44.729 -28.187 -2.303 1.00 57.02 ? 118 TRP b CG 1 ? ? +30000 ATOM C CD1 . TRP V 2 117 ? 44.100 -29.297 -2.778 1.00 56.70 ? 118 TRP b CD1 1 ? ? +30001 ATOM N NE1 . TRP V 2 117 ? 43.945 -30.215 -1.777 1.00 56.97 ? 118 TRP b NE1 1 ? ? +30002 ATOM C CE2 . TRP V 2 117 ? 44.479 -29.711 -0.628 1.00 57.52 ? 118 TRP b CE2 1 ? ? +30003 ATOM C CZ2 . TRP V 2 117 ? 44.564 -30.269 0.642 1.00 58.25 ? 118 TRP b CZ2 1 ? ? +30004 ATOM C CH2 . TRP V 2 117 ? 45.190 -29.529 1.614 1.00 58.95 ? 118 TRP b CH2 1 ? ? +30005 ATOM C CZ3 . TRP V 2 117 ? 45.720 -28.263 1.342 1.00 58.80 ? 118 TRP b CZ3 1 ? ? +30006 ATOM C CE3 . TRP V 2 117 ? 45.620 -27.702 0.083 1.00 58.17 ? 118 TRP b CE3 1 ? ? +30007 ATOM C CD2 . TRP V 2 117 ? 44.992 -28.433 -0.929 1.00 57.54 ? 118 TRP b CD2 1 ? ? +30008 ATOM C C . TRP V 2 117 ? 47.590 -27.230 -2.649 1.00 58.75 ? 118 TRP b C 1 ? ? +30009 ATOM O O . TRP V 2 117 ? 47.985 -26.193 -2.131 1.00 58.81 ? 118 TRP b O 1 ? ? +30010 ATOM N N . ASP V 2 118 ? 47.987 -28.442 -2.257 1.00 59.66 ? 119 ASP b N 1 ? ? +30011 ATOM C CA . ASP V 2 118 ? 48.823 -28.617 -1.085 1.00 61.30 ? 119 ASP b CA 1 ? ? +30012 ATOM C CB . ASP V 2 118 ? 48.385 -29.878 -0.311 1.00 62.44 ? 119 ASP b CB 1 ? ? +30013 ATOM C CG . ASP V 2 118 ? 49.047 -29.990 1.062 1.00 64.84 ? 119 ASP b CG 1 ? ? +30014 ATOM O OD1 . ASP V 2 118 ? 49.455 -28.922 1.629 1.00 65.96 ? 119 ASP b OD1 1 ? ? +30015 ATOM O OD2 . ASP V 2 118 ? 49.247 -31.154 1.547 1.00 66.52 ? 119 ASP b OD2 1 ? ? +30016 ATOM C C . ASP V 2 118 ? 50.307 -28.669 -1.465 1.00 61.55 ? 119 ASP b C 1 ? ? +30017 ATOM O O . ASP V 2 118 ? 50.993 -29.659 -1.222 1.00 61.80 ? 119 ASP b O 1 ? ? +30018 ATOM N N . LEU V 2 119 ? 50.803 -27.579 -2.056 1.00 61.22 ? 120 LEU b N 1 ? ? +30019 ATOM C CA . LEU V 2 119 ? 52.193 -27.513 -2.465 1.00 61.83 ? 120 LEU b CA 1 ? ? +30020 ATOM C CB . LEU V 2 119 ? 52.373 -26.567 -3.653 1.00 61.35 ? 120 LEU b CB 1 ? ? +30021 ATOM C CG . LEU V 2 119 ? 51.710 -26.997 -4.927 1.00 60.61 ? 120 LEU b CG 1 ? ? +30022 ATOM C CD1 . LEU V 2 119 ? 52.100 -26.075 -6.059 1.00 60.43 ? 120 LEU b CD1 1 ? ? +30023 ATOM C CD2 . LEU V 2 119 ? 52.040 -28.460 -5.271 1.00 60.80 ? 120 LEU b CD2 1 ? ? +30024 ATOM C C . LEU V 2 119 ? 53.052 -27.038 -1.306 1.00 62.70 ? 120 LEU b C 1 ? ? +30025 ATOM O O . LEU V 2 119 ? 52.677 -26.098 -0.616 1.00 62.60 ? 120 LEU b O 1 ? ? +30026 ATOM N N . GLU V 2 120 ? 54.222 -27.672 -1.145 1.00 63.88 ? 121 GLU b N 1 ? ? +30027 ATOM C CA . GLU V 2 120 ? 55.129 -27.371 -0.048 1.00 64.75 ? 121 GLU b CA 1 ? ? +30028 ATOM C CB . GLU V 2 120 ? 56.323 -28.338 -0.109 1.00 65.93 ? 121 GLU b CB 1 ? ? +30029 ATOM C CG . GLU V 2 120 ? 57.438 -28.053 0.880 1.00 67.25 ? 121 GLU b CG 1 ? ? +30030 ATOM C CD . GLU V 2 120 ? 58.440 -26.997 0.443 1.00 67.94 ? 121 GLU b CD 1 ? ? +30031 ATOM O OE1 . GLU V 2 120 ? 58.366 -26.538 -0.726 1.00 67.35 ? 121 GLU b OE1 1 ? ? +30032 ATOM O OE2 . GLU V 2 120 ? 59.309 -26.633 1.272 1.00 69.04 ? 121 GLU b OE2 1 ? ? +30033 ATOM C C . GLU V 2 120 ? 55.546 -25.905 -0.038 1.00 64.65 ? 121 GLU b C 1 ? ? +30034 ATOM O O . GLU V 2 120 ? 55.747 -25.344 1.032 1.00 65.00 ? 121 GLU b O 1 ? ? +30035 ATOM N N . LEU V 2 121 ? 55.639 -25.290 -1.223 1.00 64.36 ? 122 LEU b N 1 ? ? +30036 ATOM C CA . LEU V 2 121 ? 55.958 -23.873 -1.349 1.00 64.85 ? 122 LEU b CA 1 ? ? +30037 ATOM C CB . LEU V 2 121 ? 55.891 -23.454 -2.834 1.00 64.21 ? 122 LEU b CB 1 ? ? +30038 ATOM C CG . LEU V 2 121 ? 56.138 -21.978 -3.152 1.00 64.22 ? 122 LEU b CG 1 ? ? +30039 ATOM C CD1 . LEU V 2 121 ? 57.577 -21.517 -2.735 1.00 65.27 ? 122 LEU b CD1 1 ? ? +30040 ATOM C CD2 . LEU V 2 121 ? 55.919 -21.716 -4.622 1.00 63.62 ? 122 LEU b CD2 1 ? ? +30041 ATOM C C . LEU V 2 121 ? 55.059 -22.956 -0.519 1.00 65.31 ? 122 LEU b C 1 ? ? +30042 ATOM O O . LEU V 2 121 ? 55.540 -21.951 -0.003 1.00 65.69 ? 122 LEU b O 1 ? ? +30043 ATOM N N . PHE V 2 122 ? 53.769 -23.308 -0.378 1.00 65.34 ? 123 PHE b N 1 ? ? +30044 ATOM C CA . PHE V 2 122 ? 52.827 -22.480 0.362 1.00 65.99 ? 123 PHE b CA 1 ? ? +30045 ATOM C CB . PHE V 2 122 ? 51.380 -22.748 -0.098 1.00 64.15 ? 123 PHE b CB 1 ? ? +30046 ATOM C CG . PHE V 2 122 ? 51.204 -22.670 -1.584 1.00 62.74 ? 123 PHE b CG 1 ? ? +30047 ATOM C CD1 . PHE V 2 122 ? 51.796 -21.650 -2.318 1.00 62.49 ? 123 PHE b CD1 1 ? ? +30048 ATOM C CD2 . PHE V 2 122 ? 50.454 -23.617 -2.256 1.00 61.70 ? 123 PHE b CD2 1 ? ? +30049 ATOM C CE1 . PHE V 2 122 ? 51.643 -21.589 -3.697 1.00 61.79 ? 123 PHE b CE1 1 ? ? +30050 ATOM C CE2 . PHE V 2 122 ? 50.289 -23.544 -3.630 1.00 61.00 ? 123 PHE b CE2 1 ? ? +30051 ATOM C CZ . PHE V 2 122 ? 50.881 -22.533 -4.344 1.00 61.07 ? 123 PHE b CZ 1 ? ? +30052 ATOM C C . PHE V 2 122 ? 52.868 -22.638 1.883 1.00 69.01 ? 123 PHE b C 1 ? ? +30053 ATOM O O . PHE V 2 122 ? 52.201 -21.881 2.584 1.00 69.71 ? 123 PHE b O 1 ? ? +30054 ATOM N N . ARG V 2 123 ? 53.646 -23.606 2.384 1.00 72.54 ? 124 ARG b N 1 ? ? +30055 ATOM C CA . ARG V 2 123 ? 53.838 -23.797 3.813 1.00 75.83 ? 124 ARG b CA 1 ? ? +30056 ATOM C CB . ARG V 2 123 ? 54.046 -25.286 4.145 1.00 77.79 ? 124 ARG b CB 1 ? ? +30057 ATOM C CG . ARG V 2 123 ? 53.009 -26.228 3.590 1.00 78.58 ? 124 ARG b CG 1 ? ? +30058 ATOM C CD . ARG V 2 123 ? 51.636 -25.902 4.096 1.00 80.13 ? 124 ARG b CD 1 ? ? +30059 ATOM N NE . ARG V 2 123 ? 50.684 -26.968 3.797 1.00 81.74 ? 124 ARG b NE 1 ? ? +30060 ATOM C CZ . ARG V 2 123 ? 49.809 -27.472 4.661 1.00 83.10 ? 124 ARG b CZ 1 ? ? +30061 ATOM N NH1 . ARG V 2 123 ? 49.571 -26.897 5.829 1.00 84.04 ? 124 ARG b NH1 1 ? ? +30062 ATOM N NH2 . ARG V 2 123 ? 49.139 -28.571 4.334 1.00 83.69 ? 124 ARG b NH2 1 ? ? +30063 ATOM C C . ARG V 2 123 ? 55.064 -23.041 4.322 1.00 78.36 ? 124 ARG b C 1 ? ? +30064 ATOM O O . ARG V 2 123 ? 56.100 -23.016 3.665 1.00 77.93 ? 124 ARG b O 1 ? ? +30065 ATOM N N . ASP V 2 124 ? 54.937 -22.456 5.516 1.00 80.90 ? 125 ASP b N 1 ? ? +30066 ATOM C CA . ASP V 2 124 ? 56.070 -21.908 6.237 1.00 83.25 ? 125 ASP b CA 1 ? ? +30067 ATOM C CB . ASP V 2 124 ? 55.617 -21.124 7.466 1.00 84.51 ? 125 ASP b CB 1 ? ? +30068 ATOM C CG . ASP V 2 124 ? 56.720 -20.427 8.214 1.00 86.53 ? 125 ASP b CG 1 ? ? +30069 ATOM O OD1 . ASP V 2 124 ? 57.660 -21.119 8.667 1.00 88.60 ? 125 ASP b OD1 1 ? ? +30070 ATOM O OD2 . ASP V 2 124 ? 56.645 -19.182 8.349 1.00 87.66 ? 125 ASP b OD2 1 ? ? +30071 ATOM C C . ASP V 2 124 ? 56.939 -23.085 6.659 1.00 85.53 ? 125 ASP b C 1 ? ? +30072 ATOM O O . ASP V 2 124 ? 56.438 -24.039 7.256 1.00 84.62 ? 125 ASP b O 1 ? ? +30073 ATOM N N . PRO V 2 125 ? 58.257 -23.066 6.353 1.00 89.27 ? 126 PRO b N 1 ? ? +30074 ATOM C CA . PRO V 2 125 ? 59.144 -24.171 6.729 1.00 91.54 ? 126 PRO b CA 1 ? ? +30075 ATOM C CB . PRO V 2 125 ? 60.498 -23.759 6.142 1.00 91.42 ? 126 PRO b CB 1 ? ? +30076 ATOM C CG . PRO V 2 125 ? 60.198 -22.683 5.130 1.00 90.58 ? 126 PRO b CG 1 ? ? +30077 ATOM C CD . PRO V 2 125 ? 58.949 -22.004 5.601 1.00 89.85 ? 126 PRO b CD 1 ? ? +30078 ATOM C C . PRO V 2 125 ? 59.254 -24.425 8.233 1.00 94.69 ? 126 PRO b C 1 ? ? +30079 ATOM O O . PRO V 2 125 ? 59.511 -25.559 8.633 1.00 95.55 ? 126 PRO b O 1 ? ? +30080 ATOM N N . ARG V 2 126 ? 59.055 -23.379 9.050 1.00 98.27 ? 127 ARG b N 1 ? ? +30081 ATOM C CA . ARG V 2 126 ? 59.173 -23.495 10.495 1.00 101.45 ? 127 ARG b CA 1 ? ? +30082 ATOM C CB . ARG V 2 126 ? 59.487 -22.135 11.148 1.00 106.65 ? 127 ARG b CB 1 ? ? +30083 ATOM C CG . ARG V 2 126 ? 60.808 -21.503 10.696 1.00 112.43 ? 127 ARG b CG 1 ? ? +30084 ATOM C CD . ARG V 2 126 ? 60.590 -20.290 9.811 1.00 116.16 ? 127 ARG b CD 1 ? ? +30085 ATOM N NE . ARG V 2 126 ? 59.787 -19.271 10.483 1.00 119.30 ? 127 ARG b NE 1 ? ? +30086 ATOM C CZ . ARG V 2 126 ? 59.226 -18.224 9.887 1.00 121.18 ? 127 ARG b CZ 1 ? ? +30087 ATOM N NH1 . ARG V 2 126 ? 59.547 -17.872 8.652 1.00 120.01 ? 127 ARG b NH1 1 ? ? +30088 ATOM N NH2 . ARG V 2 126 ? 58.308 -17.518 10.545 1.00 123.26 ? 127 ARG b NH2 1 ? ? +30089 ATOM C C . ARG V 2 126 ? 57.913 -24.071 11.133 1.00 99.05 ? 127 ARG b C 1 ? ? +30090 ATOM O O . ARG V 2 126 ? 58.001 -25.040 11.882 1.00 98.86 ? 127 ARG b O 1 ? ? +30091 ATOM N N . THR V 2 127 ? 56.754 -23.473 10.818 1.00 96.60 ? 128 THR b N 1 ? ? +30092 ATOM C CA . THR V 2 127 ? 55.497 -23.813 11.466 1.00 93.20 ? 128 THR b CA 1 ? ? +30093 ATOM C CB . THR V 2 127 ? 54.648 -22.546 11.629 1.00 92.18 ? 128 THR b CB 1 ? ? +30094 ATOM O OG1 . THR V 2 127 ? 54.066 -22.188 10.388 1.00 90.26 ? 128 THR b OG1 1 ? ? +30095 ATOM C CG2 . THR V 2 127 ? 55.443 -21.358 12.131 1.00 92.52 ? 128 THR b CG2 1 ? ? +30096 ATOM C C . THR V 2 127 ? 54.703 -24.897 10.736 1.00 91.92 ? 128 THR b C 1 ? ? +30097 ATOM O O . THR V 2 127 ? 53.917 -25.601 11.365 1.00 91.87 ? 128 THR b O 1 ? ? +30098 ATOM N N . GLY V 2 128 ? 54.898 -25.016 9.412 1.00 90.33 ? 129 GLY b N 1 ? ? +30099 ATOM C CA . GLY V 2 128 ? 54.156 -25.970 8.597 1.00 88.44 ? 129 GLY b CA 1 ? ? +30100 ATOM C C . GLY V 2 128 ? 52.738 -25.509 8.234 1.00 87.50 ? 129 GLY b C 1 ? ? +30101 ATOM O O . GLY V 2 128 ? 51.966 -26.247 7.622 1.00 85.86 ? 129 GLY b O 1 ? ? +30102 ATOM N N . GLU V 2 129 ? 52.412 -24.263 8.594 1.00 86.00 ? 130 GLU b N 1 ? ? +30103 ATOM C CA . GLU V 2 129 ? 51.130 -23.663 8.277 1.00 84.16 ? 130 GLU b CA 1 ? ? +30104 ATOM C CB . GLU V 2 129 ? 50.710 -22.710 9.401 1.00 87.51 ? 130 GLU b CB 1 ? ? +30105 ATOM C CG . GLU V 2 129 ? 50.536 -23.393 10.739 1.00 91.24 ? 130 GLU b CG 1 ? ? +30106 ATOM C CD . GLU V 2 129 ? 50.567 -22.457 11.927 1.00 95.31 ? 130 GLU b CD 1 ? ? +30107 ATOM O OE1 . GLU V 2 129 ? 49.703 -21.549 11.985 1.00 97.60 ? 130 GLU b OE1 1 ? ? +30108 ATOM O OE2 . GLU V 2 129 ? 51.452 -22.631 12.802 1.00 97.02 ? 130 GLU b OE2 1 ? ? +30109 ATOM C C . GLU V 2 129 ? 51.211 -22.898 6.959 1.00 79.33 ? 130 GLU b C 1 ? ? +30110 ATOM O O . GLU V 2 129 ? 52.270 -22.394 6.589 1.00 78.01 ? 130 GLU b O 1 ? ? +30111 ATOM N N . PRO V 2 130 ? 50.085 -22.754 6.223 1.00 74.61 ? 131 PRO b N 1 ? ? +30112 ATOM C CA . PRO V 2 130 ? 50.067 -21.944 5.011 1.00 72.51 ? 131 PRO b CA 1 ? ? +30113 ATOM C CB . PRO V 2 130 ? 48.600 -22.001 4.568 1.00 72.50 ? 131 PRO b CB 1 ? ? +30114 ATOM C CG . PRO V 2 130 ? 48.061 -23.222 5.212 1.00 73.05 ? 131 PRO b CG 1 ? ? +30115 ATOM C CD . PRO V 2 130 ? 48.772 -23.346 6.519 1.00 73.97 ? 131 PRO b CD 1 ? ? +30116 ATOM C C . PRO V 2 130 ? 50.521 -20.528 5.332 1.00 71.03 ? 131 PRO b C 1 ? ? +30117 ATOM O O . PRO V 2 130 ? 50.125 -19.970 6.348 1.00 70.80 ? 131 PRO b O 1 ? ? +30118 ATOM N N . ALA V 2 131 ? 51.360 -19.964 4.462 1.00 69.92 ? 132 ALA b N 1 ? ? +30119 ATOM C CA . ALA V 2 131 ? 51.931 -18.650 4.695 1.00 69.23 ? 132 ALA b CA 1 ? ? +30120 ATOM C CB . ALA V 2 131 ? 53.058 -18.754 5.692 1.00 70.00 ? 132 ALA b CB 1 ? ? +30121 ATOM C C . ALA V 2 131 ? 52.419 -18.032 3.388 1.00 68.14 ? 132 ALA b C 1 ? ? +30122 ATOM O O . ALA V 2 131 ? 52.923 -18.729 2.514 1.00 68.29 ? 132 ALA b O 1 ? ? +30123 ATOM N N . LEU V 2 132 ? 52.210 -16.720 3.252 1.00 66.98 ? 133 LEU b N 1 ? ? +30124 ATOM C CA . LEU V 2 132 ? 52.671 -15.963 2.104 1.00 65.83 ? 133 LEU b CA 1 ? ? +30125 ATOM C CB . LEU V 2 132 ? 51.493 -15.527 1.209 1.00 64.92 ? 133 LEU b CB 1 ? ? +30126 ATOM C CG . LEU V 2 132 ? 50.780 -16.615 0.447 1.00 64.21 ? 133 LEU b CG 1 ? ? +30127 ATOM C CD1 . LEU V 2 132 ? 49.610 -16.058 -0.299 1.00 63.40 ? 133 LEU b CD1 1 ? ? +30128 ATOM C CD2 . LEU V 2 132 ? 51.703 -17.316 -0.552 1.00 64.40 ? 133 LEU b CD2 1 ? ? +30129 ATOM C C . LEU V 2 132 ? 53.387 -14.740 2.659 1.00 65.46 ? 133 LEU b C 1 ? ? +30130 ATOM O O . LEU V 2 132 ? 52.828 -14.005 3.468 1.00 65.46 ? 133 LEU b O 1 ? ? +30131 ATOM N N . ASP V 2 133 ? 54.633 -14.546 2.234 1.00 65.29 ? 134 ASP b N 1 ? ? +30132 ATOM C CA . ASP V 2 133 ? 55.413 -13.400 2.662 1.00 65.35 ? 134 ASP b CA 1 ? ? +30133 ATOM C CB . ASP V 2 133 ? 56.903 -13.693 2.537 1.00 66.17 ? 134 ASP b CB 1 ? ? +30134 ATOM C CG . ASP V 2 133 ? 57.780 -12.638 3.156 1.00 67.10 ? 134 ASP b CG 1 ? ? +30135 ATOM O OD1 . ASP V 2 133 ? 57.233 -11.745 3.864 1.00 66.81 ? 134 ASP b OD1 1 ? ? +30136 ATOM O OD2 . ASP V 2 133 ? 59.027 -12.710 2.951 1.00 68.23 ? 134 ASP b OD2 1 ? ? +30137 ATOM C C . ASP V 2 133 ? 55.006 -12.206 1.804 1.00 64.32 ? 134 ASP b C 1 ? ? +30138 ATOM O O . ASP V 2 133 ? 55.653 -11.899 0.807 1.00 64.77 ? 134 ASP b O 1 ? ? +30139 ATOM N N . LEU V 2 134 ? 53.932 -11.526 2.206 1.00 63.15 ? 135 LEU b N 1 ? ? +30140 ATOM C CA . LEU V 2 134 ? 53.331 -10.497 1.373 1.00 62.01 ? 135 LEU b CA 1 ? ? +30141 ATOM C CB . LEU V 2 134 ? 52.025 -10.027 2.047 1.00 61.37 ? 135 LEU b CB 1 ? ? +30142 ATOM C CG . LEU V 2 134 ? 50.967 -11.128 2.273 1.00 60.65 ? 135 LEU b CG 1 ? ? +30143 ATOM C CD1 . LEU V 2 134 ? 49.803 -10.596 3.112 1.00 60.18 ? 135 LEU b CD1 1 ? ? +30144 ATOM C CD2 . LEU V 2 134 ? 50.474 -11.694 0.963 1.00 59.91 ? 135 LEU b CD2 1 ? ? +30145 ATOM C C . LEU V 2 134 ? 54.271 -9.319 1.086 1.00 62.10 ? 135 LEU b C 1 ? ? +30146 ATOM O O . LEU V 2 134 ? 54.267 -8.770 -0.011 1.00 61.66 ? 135 LEU b O 1 ? ? +30147 ATOM N N . PRO V 2 135 ? 55.093 -8.857 2.049 1.00 62.64 ? 136 PRO b N 1 ? ? +30148 ATOM C CA . PRO V 2 135 ? 56.106 -7.834 1.774 1.00 63.19 ? 136 PRO b CA 1 ? ? +30149 ATOM C CB . PRO V 2 135 ? 56.849 -7.744 3.102 1.00 64.14 ? 136 PRO b CB 1 ? ? +30150 ATOM C CG . PRO V 2 135 ? 55.800 -8.140 4.129 1.00 63.83 ? 136 PRO b CG 1 ? ? +30151 ATOM C CD . PRO V 2 135 ? 55.066 -9.245 3.468 1.00 63.13 ? 136 PRO b CD 1 ? ? +30152 ATOM C C . PRO V 2 135 ? 57.073 -8.143 0.630 1.00 63.21 ? 136 PRO b C 1 ? ? +30153 ATOM O O . PRO V 2 135 ? 57.349 -7.287 -0.204 1.00 63.11 ? 136 PRO b O 1 ? ? +30154 ATOM N N . LYS V 2 136 ? 57.582 -9.373 0.585 1.00 63.27 ? 137 LYS b N 1 ? ? +30155 ATOM C CA . LYS V 2 136 ? 58.487 -9.755 -0.484 1.00 63.45 ? 137 LYS b CA 1 ? ? +30156 ATOM C CB . LYS V 2 136 ? 59.304 -10.979 -0.088 1.00 64.20 ? 137 LYS b CB 1 ? ? +30157 ATOM C CG . LYS V 2 136 ? 60.509 -11.197 -0.983 1.00 64.88 ? 137 LYS b CG 1 ? ? +30158 ATOM C CD . LYS V 2 136 ? 61.320 -12.361 -0.521 1.00 65.74 ? 137 LYS b CD 1 ? ? +30159 ATOM C CE . LYS V 2 136 ? 62.022 -12.040 0.775 1.00 66.93 ? 137 LYS b CE 1 ? ? +30160 ATOM N NZ . LYS V 2 136 ? 62.985 -13.098 1.158 1.00 67.91 ? 137 LYS b NZ 1 ? ? +30161 ATOM C C . LYS V 2 136 ? 57.745 -10.005 -1.795 1.00 62.12 ? 137 LYS b C 1 ? ? +30162 ATOM O O . LYS V 2 136 ? 58.247 -9.673 -2.868 1.00 62.03 ? 137 LYS b O 1 ? ? +30163 ATOM N N . MET V 2 137 ? 56.558 -10.607 -1.711 1.00 61.00 ? 138 MET b N 1 ? ? +30164 ATOM C CA . MET V 2 137 ? 55.745 -10.822 -2.895 1.00 59.92 ? 138 MET b CA 1 ? ? +30165 ATOM C CB . MET V 2 137 ? 54.398 -11.438 -2.508 1.00 59.39 ? 138 MET b CB 1 ? ? +30166 ATOM C CG . MET V 2 137 ? 54.444 -12.932 -2.324 1.00 59.51 ? 138 MET b CG 1 ? ? +30167 ATOM S SD . MET V 2 137 ? 52.901 -13.517 -1.558 1.00 59.04 ? 138 MET b SD 1 ? ? +30168 ATOM C CE . MET V 2 137 ? 51.737 -12.947 -2.705 1.00 57.97 ? 138 MET b CE 1 ? ? +30169 ATOM C C . MET V 2 137 ? 55.508 -9.503 -3.625 1.00 59.27 ? 138 MET b C 1 ? ? +30170 ATOM O O . MET V 2 137 ? 55.590 -9.439 -4.850 1.00 58.90 ? 138 MET b O 1 ? ? +30171 ATOM N N . PHE V 2 138 ? 55.197 -8.463 -2.847 1.00 59.06 ? 139 PHE b N 1 ? ? +30172 ATOM C CA . PHE V 2 138 ? 55.004 -7.128 -3.381 1.00 58.72 ? 139 PHE b CA 1 ? ? +30173 ATOM C CB . PHE V 2 138 ? 54.618 -6.150 -2.253 1.00 58.93 ? 139 PHE b CB 1 ? ? +30174 ATOM C CG . PHE V 2 138 ? 54.479 -4.749 -2.782 1.00 58.89 ? 139 PHE b CG 1 ? ? +30175 ATOM C CD1 . PHE V 2 138 ? 53.485 -4.433 -3.692 1.00 58.07 ? 139 PHE b CD1 1 ? ? +30176 ATOM C CD2 . PHE V 2 138 ? 55.395 -3.767 -2.438 1.00 59.72 ? 139 PHE b CD2 1 ? ? +30177 ATOM C CE1 . PHE V 2 138 ? 53.376 -3.146 -4.208 1.00 58.08 ? 139 PHE b CE1 1 ? ? +30178 ATOM C CE2 . PHE V 2 138 ? 55.289 -2.477 -2.956 1.00 59.70 ? 139 PHE b CE2 1 ? ? +30179 ATOM C CZ . PHE V 2 138 ? 54.285 -2.174 -3.841 1.00 58.88 ? 139 PHE b CZ 1 ? ? +30180 ATOM C C . PHE V 2 138 ? 56.242 -6.616 -4.120 1.00 59.11 ? 139 PHE b C 1 ? ? +30181 ATOM O O . PHE V 2 138 ? 56.138 -6.067 -5.213 1.00 58.64 ? 139 PHE b O 1 ? ? +30182 ATOM N N . GLY V 2 139 ? 57.417 -6.796 -3.510 1.00 59.90 ? 140 GLY b N 1 ? ? +30183 ATOM C CA . GLY V 2 139 ? 58.673 -6.412 -4.144 1.00 60.55 ? 140 GLY b CA 1 ? ? +30184 ATOM C C . GLY V 2 139 ? 58.878 -7.072 -5.504 1.00 60.17 ? 140 GLY b C 1 ? ? +30185 ATOM O O . GLY V 2 139 ? 59.113 -6.392 -6.500 1.00 60.02 ? 140 GLY b O 1 ? ? +30186 ATOM N N . ILE V 2 140 ? 58.726 -8.400 -5.527 1.00 59.94 ? 141 ILE b N 1 ? ? +30187 ATOM C CA . ILE V 2 140 ? 58.856 -9.178 -6.745 1.00 59.72 ? 141 ILE b CA 1 ? ? +30188 ATOM C CB . ILE V 2 140 ? 58.589 -10.659 -6.444 1.00 59.50 ? 141 ILE b CB 1 ? ? +30189 ATOM C CG1 . ILE V 2 140 ? 59.654 -11.228 -5.491 1.00 60.46 ? 141 ILE b CG1 1 ? ? +30190 ATOM C CG2 . ILE V 2 140 ? 58.497 -11.482 -7.729 1.00 59.03 ? 141 ILE b CG2 1 ? ? +30191 ATOM C CD1 . ILE V 2 140 ? 59.281 -12.570 -4.947 1.00 60.30 ? 141 ILE b CD1 1 ? ? +30192 ATOM C C . ILE V 2 140 ? 57.921 -8.659 -7.830 1.00 59.00 ? 141 ILE b C 1 ? ? +30193 ATOM O O . ILE V 2 140 ? 58.360 -8.353 -8.939 1.00 59.04 ? 141 ILE b O 1 ? ? +30194 ATOM N N . HIS V 2 141 ? 56.632 -8.554 -7.487 1.00 58.33 ? 142 HIS b N 1 ? ? +30195 ATOM C CA . HIS V 2 141 ? 55.626 -8.118 -8.435 1.00 57.65 ? 142 HIS b CA 1 ? ? +30196 ATOM C CB . HIS V 2 141 ? 54.209 -8.252 -7.807 1.00 57.04 ? 142 HIS b CB 1 ? ? +30197 ATOM C CG . HIS V 2 141 ? 53.783 -9.666 -7.561 1.00 56.86 ? 142 HIS b CG 1 ? ? +30198 ATOM N ND1 . HIS V 2 141 ? 52.668 -9.951 -6.819 1.00 56.50 ? 142 HIS b ND1 1 ? ? +30199 ATOM C CE1 . HIS V 2 141 ? 52.572 -11.272 -6.788 1.00 56.37 ? 142 HIS b CE1 1 ? ? +30200 ATOM N NE2 . HIS V 2 141 ? 53.577 -11.841 -7.461 1.00 56.76 ? 142 HIS b NE2 1 ? ? +30201 ATOM C CD2 . HIS V 2 141 ? 54.360 -10.826 -7.951 1.00 57.14 ? 142 HIS b CD2 1 ? ? +30202 ATOM C C . HIS V 2 141 ? 55.851 -6.688 -8.920 1.00 57.82 ? 142 HIS b C 1 ? ? +30203 ATOM O O . HIS V 2 141 ? 55.682 -6.403 -10.102 1.00 57.44 ? 142 HIS b O 1 ? ? +30204 ATOM N N . LEU V 2 142 ? 56.195 -5.787 -7.998 1.00 58.42 ? 143 LEU b N 1 ? ? +30205 ATOM C CA . LEU V 2 142 ? 56.494 -4.414 -8.364 1.00 58.91 ? 143 LEU b CA 1 ? ? +30206 ATOM C CB . LEU V 2 142 ? 56.778 -3.570 -7.111 1.00 59.55 ? 143 LEU b CB 1 ? ? +30207 ATOM C CG . LEU V 2 142 ? 57.001 -2.060 -7.340 1.00 59.90 ? 143 LEU b CG 1 ? ? +30208 ATOM C CD1 . LEU V 2 142 ? 55.762 -1.387 -7.963 1.00 59.08 ? 143 LEU b CD1 1 ? ? +30209 ATOM C CD2 . LEU V 2 142 ? 57.342 -1.367 -6.060 1.00 60.55 ? 143 LEU b CD2 1 ? ? +30210 ATOM C C . LEU V 2 142 ? 57.679 -4.330 -9.328 1.00 59.62 ? 143 LEU b C 1 ? ? +30211 ATOM O O . LEU V 2 142 ? 57.632 -3.553 -10.279 1.00 59.57 ? 143 LEU b O 1 ? ? +30212 ATOM N N . PHE V 2 143 ? 58.723 -5.138 -9.087 1.00 60.31 ? 144 PHE b N 1 ? ? +30213 ATOM C CA . PHE V 2 143 ? 59.874 -5.182 -9.978 1.00 61.00 ? 144 PHE b CA 1 ? ? +30214 ATOM C CB . PHE V 2 143 ? 60.922 -6.178 -9.451 1.00 61.70 ? 144 PHE b CB 1 ? ? +30215 ATOM C CG . PHE V 2 143 ? 62.110 -6.438 -10.331 1.00 62.31 ? 144 PHE b CG 1 ? ? +30216 ATOM C CD1 . PHE V 2 143 ? 63.184 -5.568 -10.341 1.00 63.28 ? 144 PHE b CD1 1 ? ? +30217 ATOM C CD2 . PHE V 2 143 ? 62.172 -7.571 -11.123 1.00 62.04 ? 144 PHE b CD2 1 ? ? +30218 ATOM C CE1 . PHE V 2 143 ? 64.318 -5.833 -11.121 1.00 63.93 ? 144 PHE b CE1 1 ? ? +30219 ATOM C CE2 . PHE V 2 143 ? 63.291 -7.821 -11.921 1.00 62.73 ? 144 PHE b CE2 1 ? ? +30220 ATOM C CZ . PHE V 2 143 ? 64.359 -6.949 -11.913 1.00 63.61 ? 144 PHE b CZ 1 ? ? +30221 ATOM C C . PHE V 2 143 ? 59.452 -5.570 -11.392 1.00 60.50 ? 144 PHE b C 1 ? ? +30222 ATOM O O . PHE V 2 143 ? 59.892 -4.963 -12.366 1.00 60.66 ? 144 PHE b O 1 ? ? +30223 ATOM N N . LEU V 2 144 ? 58.602 -6.596 -11.485 1.00 59.94 ? 145 LEU b N 1 ? ? +30224 ATOM C CA . LEU V 2 144 ? 58.112 -7.085 -12.766 1.00 59.60 ? 145 LEU b CA 1 ? ? +30225 ATOM C CB . LEU V 2 144 ? 57.266 -8.376 -12.610 1.00 59.21 ? 145 LEU b CB 1 ? ? +30226 ATOM C CG . LEU V 2 144 ? 57.999 -9.634 -12.071 1.00 59.96 ? 145 LEU b CG 1 ? ? +30227 ATOM C CD1 . LEU V 2 144 ? 56.976 -10.740 -11.844 1.00 59.35 ? 145 LEU b CD1 1 ? ? +30228 ATOM C CD2 . LEU V 2 144 ? 59.165 -10.113 -12.997 1.00 60.54 ? 145 LEU b CD2 1 ? ? +30229 ATOM C C . LEU V 2 144 ? 57.245 -6.032 -13.456 1.00 58.95 ? 145 LEU b C 1 ? ? +30230 ATOM O O . LEU V 2 144 ? 57.313 -5.871 -14.673 1.00 58.75 ? 145 LEU b O 1 ? ? +30231 ATOM N N . ALA V 2 145 ? 56.413 -5.333 -12.673 1.00 58.56 ? 146 ALA b N 1 ? ? +30232 ATOM C CA . ALA V 2 145 ? 55.572 -4.274 -13.209 1.00 58.01 ? 146 ALA b CA 1 ? ? +30233 ATOM C CB . ALA V 2 145 ? 54.642 -3.748 -12.133 1.00 57.74 ? 146 ALA b CB 1 ? ? +30234 ATOM C C . ALA V 2 145 ? 56.434 -3.147 -13.768 1.00 58.51 ? 146 ALA b C 1 ? ? +30235 ATOM O O . ALA V 2 145 ? 56.150 -2.594 -14.823 1.00 58.12 ? 146 ALA b O 1 ? ? +30236 ATOM N N . GLY V 2 146 ? 57.482 -2.804 -13.026 1.00 59.40 ? 147 GLY b N 1 ? ? +30237 ATOM C CA . GLY V 2 146 ? 58.509 -1.888 -13.503 1.00 60.22 ? 147 GLY b CA 1 ? ? +30238 ATOM C C . GLY V 2 146 ? 59.080 -2.277 -14.868 1.00 60.26 ? 147 GLY b C 1 ? ? +30239 ATOM O O . GLY V 2 146 ? 58.994 -1.494 -15.812 1.00 60.17 ? 147 GLY b O 1 ? ? +30240 ATOM N N . LEU V 2 147 ? 59.641 -3.491 -14.959 1.00 60.34 ? 148 LEU b N 1 ? ? +30241 ATOM C CA . LEU V 2 147 ? 60.188 -4.009 -16.204 1.00 60.35 ? 148 LEU b CA 1 ? ? +30242 ATOM C CB . LEU V 2 147 ? 60.572 -5.476 -16.046 1.00 60.45 ? 148 LEU b CB 1 ? ? +30243 ATOM C CG . LEU V 2 147 ? 61.927 -5.780 -15.454 1.00 61.62 ? 148 LEU b CG 1 ? ? +30244 ATOM C CD1 . LEU V 2 147 ? 62.139 -7.293 -15.465 1.00 61.60 ? 148 LEU b CD1 1 ? ? +30245 ATOM C CD2 . LEU V 2 147 ? 63.090 -5.033 -16.187 1.00 62.43 ? 148 LEU b CD2 1 ? ? +30246 ATOM C C . LEU V 2 147 ? 59.198 -3.884 -17.360 1.00 59.43 ? 148 LEU b C 1 ? ? +30247 ATOM O O . LEU V 2 147 ? 59.546 -3.404 -18.434 1.00 59.56 ? 148 LEU b O 1 ? ? +30248 ATOM N N A LEU V 2 148 ? 57.954 -4.301 -17.117 0.50 58.40 ? 149 LEU b N 1 ? ? +30249 ATOM N N B LEU V 2 148 ? 57.968 -4.366 -17.150 0.50 58.62 ? 149 LEU b N 1 ? ? +30250 ATOM C CA A LEU V 2 148 ? 56.940 -4.291 -18.154 0.50 57.51 ? 149 LEU b CA 1 ? ? +30251 ATOM C CA B LEU V 2 148 ? 56.935 -4.289 -18.170 0.50 57.90 ? 149 LEU b CA 1 ? ? +30252 ATOM C C A LEU V 2 148 ? 56.590 -2.856 -18.545 0.50 57.35 ? 149 LEU b C 1 ? ? +30253 ATOM C C B LEU V 2 148 ? 56.623 -2.843 -18.549 0.50 57.58 ? 149 LEU b C 1 ? ? +30254 ATOM O O A LEU V 2 148 ? 56.517 -2.529 -19.730 0.50 57.18 ? 149 LEU b O 1 ? ? +30255 ATOM O O B LEU V 2 148 ? 56.593 -2.496 -19.730 0.50 57.42 ? 149 LEU b O 1 ? ? +30256 ATOM C CB A LEU V 2 148 ? 55.701 -5.054 -17.663 0.50 56.68 ? 149 LEU b CB 1 ? ? +30257 ATOM C CB B LEU V 2 148 ? 55.646 -4.968 -17.683 0.50 57.41 ? 149 LEU b CB 1 ? ? +30258 ATOM C CG A LEU V 2 148 ? 54.766 -5.563 -18.744 0.50 55.88 ? 149 LEU b CG 1 ? ? +30259 ATOM C CG B LEU V 2 148 ? 55.719 -6.482 -17.523 0.50 57.65 ? 149 LEU b CG 1 ? ? +30260 ATOM C CD1 A LEU V 2 148 ? 55.525 -6.287 -19.838 0.50 56.11 ? 149 LEU b CD1 1 ? ? +30261 ATOM C CD1 B LEU V 2 148 ? 54.429 -7.012 -16.968 0.50 57.08 ? 149 LEU b CD1 1 ? ? +30262 ATOM C CD2 A LEU V 2 148 ? 53.723 -6.477 -18.158 0.50 55.22 ? 149 LEU b CD2 1 ? ? +30263 ATOM C CD2 B LEU V 2 148 ? 56.066 -7.167 -18.845 0.50 57.68 ? 149 LEU b CD2 1 ? ? +30264 ATOM N N . CYS V 2 149 ? 56.390 -2.012 -17.526 1.00 57.42 ? 150 CYS b N 1 ? ? +30265 ATOM C CA . CYS V 2 149 ? 56.122 -0.598 -17.718 1.00 57.27 ? 150 CYS b CA 1 ? ? +30266 ATOM C CB . CYS V 2 149 ? 55.939 0.059 -16.355 1.00 57.45 ? 150 CYS b CB 1 ? ? +30267 ATOM S SG . CYS V 2 149 ? 55.478 1.807 -16.408 1.00 57.54 ? 150 CYS b SG 1 ? ? +30268 ATOM C C . CYS V 2 149 ? 57.224 0.068 -18.549 1.00 57.82 ? 150 CYS b C 1 ? ? +30269 ATOM O O . CYS V 2 149 ? 56.938 0.680 -19.577 1.00 57.50 ? 150 CYS b O 1 ? ? +30270 ATOM N N . PHE V 2 150 ? 58.492 -0.101 -18.121 1.00 58.53 ? 151 PHE b N 1 ? ? +30271 ATOM C CA . PHE V 2 150 ? 59.642 0.404 -18.856 1.00 59.20 ? 151 PHE b CA 1 ? ? +30272 ATOM C CB . PHE V 2 150 ? 60.951 -0.060 -18.195 1.00 60.17 ? 151 PHE b CB 1 ? ? +30273 ATOM C CG . PHE V 2 150 ? 62.204 0.315 -18.946 1.00 61.06 ? 151 PHE b CG 1 ? ? +30274 ATOM C CD1 . PHE V 2 150 ? 62.650 1.618 -18.968 1.00 61.71 ? 151 PHE b CD1 1 ? ? +30275 ATOM C CD2 . PHE V 2 150 ? 62.914 -0.631 -19.651 1.00 61.32 ? 151 PHE b CD2 1 ? ? +30276 ATOM C CE1 . PHE V 2 150 ? 63.833 1.963 -19.634 1.00 62.63 ? 151 PHE b CE1 1 ? ? +30277 ATOM C CE2 . PHE V 2 150 ? 64.095 -0.287 -20.322 1.00 62.23 ? 151 PHE b CE2 1 ? ? +30278 ATOM C CZ . PHE V 2 150 ? 64.537 1.013 -20.321 1.00 62.85 ? 151 PHE b CZ 1 ? ? +30279 ATOM C C . PHE V 2 150 ? 59.655 -0.062 -20.307 1.00 58.82 ? 151 PHE b C 1 ? ? +30280 ATOM O O . PHE V 2 150 ? 59.784 0.744 -21.225 1.00 58.91 ? 151 PHE b O 1 ? ? +30281 ATOM N N . GLY V 2 151 ? 59.497 -1.375 -20.493 1.00 58.34 ? 152 GLY b N 1 ? ? +30282 ATOM C CA . GLY V 2 151 ? 59.570 -1.986 -21.807 1.00 58.15 ? 152 GLY b CA 1 ? ? +30283 ATOM C C . GLY V 2 151 ? 58.480 -1.522 -22.767 1.00 57.47 ? 152 GLY b C 1 ? ? +30284 ATOM O O . GLY V 2 151 ? 58.728 -1.364 -23.963 1.00 57.57 ? 152 GLY b O 1 ? ? +30285 ATOM N N . PHE V 2 152 ? 57.262 -1.349 -22.225 1.00 56.75 ? 153 PHE b N 1 ? ? +30286 ATOM C CA . PHE V 2 152 ? 56.155 -0.807 -22.985 1.00 56.08 ? 153 PHE b CA 1 ? ? +30287 ATOM C CB . PHE V 2 152 ? 54.897 -0.748 -22.112 1.00 55.44 ? 153 PHE b CB 1 ? ? +30288 ATOM C CG . PHE V 2 152 ? 53.680 -0.149 -22.768 1.00 54.83 ? 153 PHE b CG 1 ? ? +30289 ATOM C CD1 . PHE V 2 152 ? 53.180 -0.673 -23.940 1.00 54.37 ? 153 PHE b CD1 1 ? ? +30290 ATOM C CD2 . PHE V 2 152 ? 53.015 0.913 -22.188 1.00 54.76 ? 153 PHE b CD2 1 ? ? +30291 ATOM C CE1 . PHE V 2 152 ? 52.027 -0.140 -24.527 1.00 53.81 ? 153 PHE b CE1 1 ? ? +30292 ATOM C CE2 . PHE V 2 152 ? 51.868 1.454 -22.777 1.00 54.14 ? 153 PHE b CE2 1 ? ? +30293 ATOM C CZ . PHE V 2 152 ? 51.383 0.928 -23.942 1.00 53.69 ? 153 PHE b CZ 1 ? ? +30294 ATOM C C . PHE V 2 152 ? 56.503 0.588 -23.487 1.00 56.52 ? 153 PHE b C 1 ? ? +30295 ATOM O O . PHE V 2 152 ? 56.348 0.885 -24.666 1.00 56.39 ? 153 PHE b O 1 ? ? +30296 ATOM N N . GLY V 2 153 ? 56.962 1.438 -22.567 1.00 57.04 ? 154 GLY b N 1 ? ? +30297 ATOM C CA . GLY V 2 153 ? 57.411 2.772 -22.922 1.00 57.64 ? 154 GLY b CA 1 ? ? +30298 ATOM C C . GLY V 2 153 ? 58.594 2.802 -23.895 1.00 58.38 ? 154 GLY b C 1 ? ? +30299 ATOM O O . GLY V 2 153 ? 58.544 3.488 -24.914 1.00 58.42 ? 154 GLY b O 1 ? ? +30300 ATOM N N . ALA V 2 154 ? 59.651 2.046 -23.583 1.00 58.94 ? 155 ALA b N 1 ? ? +30301 ATOM C CA . ALA V 2 154 ? 60.922 2.224 -24.276 1.00 59.86 ? 155 ALA b CA 1 ? ? +30302 ATOM C CB . ALA V 2 154 ? 62.080 1.695 -23.441 1.00 60.60 ? 155 ALA b CB 1 ? ? +30303 ATOM C C . ALA V 2 154 ? 60.915 1.575 -25.663 1.00 59.67 ? 155 ALA b C 1 ? ? +30304 ATOM O O . ALA V 2 154 ? 61.624 2.047 -26.551 1.00 60.34 ? 155 ALA b O 1 ? ? +30305 ATOM N N . PHE V 2 155 ? 60.090 0.527 -25.852 1.00 58.79 ? 156 PHE b N 1 ? ? +30306 ATOM C CA . PHE V 2 155 ? 60.104 -0.263 -27.075 1.00 58.51 ? 156 PHE b CA 1 ? ? +30307 ATOM C CB . PHE V 2 155 ? 60.407 -1.737 -26.740 1.00 58.38 ? 156 PHE b CB 1 ? ? +30308 ATOM C CG . PHE V 2 155 ? 61.758 -1.952 -26.070 1.00 59.31 ? 156 PHE b CG 1 ? ? +30309 ATOM C CD1 . PHE V 2 155 ? 62.942 -1.680 -26.747 1.00 60.17 ? 156 PHE b CD1 1 ? ? +30310 ATOM C CD2 . PHE V 2 155 ? 61.837 -2.421 -24.773 1.00 59.32 ? 156 PHE b CD2 1 ? ? +30311 ATOM C CE1 . PHE V 2 155 ? 64.184 -1.882 -26.130 1.00 61.10 ? 156 PHE b CE1 1 ? ? +30312 ATOM C CE2 . PHE V 2 155 ? 63.063 -2.620 -24.159 1.00 60.27 ? 156 PHE b CE2 1 ? ? +30313 ATOM C CZ . PHE V 2 155 ? 64.242 -2.347 -24.842 1.00 61.13 ? 156 PHE b CZ 1 ? ? +30314 ATOM C C . PHE V 2 155 ? 58.819 -0.158 -27.892 1.00 57.61 ? 156 PHE b C 1 ? ? +30315 ATOM O O . PHE V 2 155 ? 58.862 0.082 -29.096 1.00 57.60 ? 156 PHE b O 1 ? ? +30316 ATOM N N . HIS V 2 156 ? 57.664 -0.345 -27.241 1.00 56.86 ? 157 HIS b N 1 ? ? +30317 ATOM C CA . HIS V 2 156 ? 56.405 -0.348 -27.967 1.00 56.01 ? 157 HIS b CA 1 ? ? +30318 ATOM C CB . HIS V 2 156 ? 55.274 -0.907 -27.121 1.00 55.26 ? 157 HIS b CB 1 ? ? +30319 ATOM C CG . HIS V 2 156 ? 53.951 -0.944 -27.829 1.00 54.48 ? 157 HIS b CG 1 ? ? +30320 ATOM N ND1 . HIS V 2 156 ? 53.377 0.190 -28.368 1.00 54.40 ? 157 HIS b ND1 1 ? ? +30321 ATOM C CE1 . HIS V 2 156 ? 52.233 -0.205 -28.912 1.00 53.67 ? 157 HIS b CE1 1 ? ? +30322 ATOM N NE2 . HIS V 2 156 ? 52.057 -1.508 -28.767 1.00 53.28 ? 157 HIS b NE2 1 ? ? +30323 ATOM C CD2 . HIS V 2 156 ? 53.137 -1.984 -28.066 1.00 53.80 ? 157 HIS b CD2 1 ? ? +30324 ATOM C C . HIS V 2 156 ? 56.053 1.055 -28.441 1.00 56.07 ? 157 HIS b C 1 ? ? +30325 ATOM O O . HIS V 2 156 ? 55.829 1.274 -29.622 1.00 55.88 ? 157 HIS b O 1 ? ? +30326 ATOM N N . LEU V 2 157 ? 55.993 1.997 -27.501 1.00 56.37 ? 158 LEU b N 1 ? ? +30327 ATOM C CA . LEU V 2 157 ? 55.505 3.334 -27.789 1.00 56.47 ? 158 LEU b CA 1 ? ? +30328 ATOM C CB . LEU V 2 157 ? 55.209 4.075 -26.482 1.00 56.47 ? 158 LEU b CB 1 ? ? +30329 ATOM C CG . LEU V 2 157 ? 54.108 3.454 -25.633 1.00 55.60 ? 158 LEU b CG 1 ? ? +30330 ATOM C CD1 . LEU V 2 157 ? 53.866 4.279 -24.401 1.00 55.70 ? 158 LEU b CD1 1 ? ? +30331 ATOM C CD2 . LEU V 2 157 ? 52.863 3.316 -26.425 1.00 54.74 ? 158 LEU b CD2 1 ? ? +30332 ATOM C C . LEU V 2 157 ? 56.473 4.162 -28.621 1.00 57.52 ? 158 LEU b C 1 ? ? +30333 ATOM O O . LEU V 2 157 ? 56.021 4.938 -29.455 1.00 57.38 ? 158 LEU b O 1 ? ? +30334 ATOM N N . THR V 2 158 ? 57.792 4.005 -28.378 1.00 58.58 ? 159 THR b N 1 ? ? +30335 ATOM C CA . THR V 2 158 ? 58.782 4.705 -29.175 1.00 59.61 ? 159 THR b CA 1 ? ? +30336 ATOM C CB . THR V 2 158 ? 60.187 4.627 -28.563 1.00 60.60 ? 159 THR b CB 1 ? ? +30337 ATOM O OG1 . THR V 2 158 ? 60.599 3.266 -28.479 1.00 60.56 ? 159 THR b OG1 1 ? ? +30338 ATOM C CG2 . THR V 2 158 ? 60.266 5.247 -27.202 1.00 60.85 ? 159 THR b CG2 1 ? ? +30339 ATOM C C . THR V 2 158 ? 58.843 4.174 -30.604 1.00 59.77 ? 159 THR b C 1 ? ? +30340 ATOM O O . THR V 2 158 ? 59.306 4.880 -31.493 1.00 60.38 ? 159 THR b O 1 ? ? +30341 ATOM N N . GLY V 2 159 ? 58.425 2.919 -30.811 1.00 59.46 ? 160 GLY b N 1 ? ? +30342 ATOM C CA . GLY V 2 159 ? 58.606 2.249 -32.088 1.00 59.75 ? 160 GLY b CA 1 ? ? +30343 ATOM C C . GLY V 2 159 ? 59.993 1.636 -32.320 1.00 60.90 ? 160 GLY b C 1 ? ? +30344 ATOM O O . GLY V 2 159 ? 60.204 0.995 -33.344 1.00 61.09 ? 160 GLY b O 1 ? ? +30345 ATOM N N . LEU V 2 160 ? 60.938 1.818 -31.383 1.00 61.94 ? 161 LEU b N 1 ? ? +30346 ATOM C CA . LEU V 2 160 ? 62.192 1.079 -31.409 1.00 62.94 ? 161 LEU b CA 1 ? ? +30347 ATOM C CB . LEU V 2 160 ? 62.949 1.192 -30.067 1.00 63.82 ? 161 LEU b CB 1 ? ? +30348 ATOM C CG . LEU V 2 160 ? 64.052 2.248 -29.919 1.00 65.29 ? 161 LEU b CG 1 ? ? +30349 ATOM C CD1 . LEU V 2 160 ? 64.387 2.979 -31.250 1.00 65.88 ? 161 LEU b CD1 1 ? ? +30350 ATOM C CD2 . LEU V 2 160 ? 63.709 3.290 -28.787 1.00 65.43 ? 161 LEU b CD2 1 ? ? +30351 ATOM C C . LEU V 2 160 ? 61.988 -0.409 -31.677 1.00 62.39 ? 161 LEU b C 1 ? ? +30352 ATOM O O . LEU V 2 160 ? 62.746 -1.013 -32.422 1.00 62.79 ? 161 LEU b O 1 ? ? +30353 ATOM N N . PHE V 2 161 ? 60.983 -1.003 -31.030 1.00 61.51 ? 162 PHE b N 1 ? ? +30354 ATOM C CA . PHE V 2 161 ? 60.614 -2.388 -31.270 1.00 60.84 ? 162 PHE b CA 1 ? ? +30355 ATOM C CB . PHE V 2 161 ? 61.533 -3.355 -30.493 1.00 61.36 ? 162 PHE b CB 1 ? ? +30356 ATOM C CG . PHE V 2 161 ? 61.284 -4.806 -30.815 1.00 61.07 ? 162 PHE b CG 1 ? ? +30357 ATOM C CD1 . PHE V 2 161 ? 61.225 -5.241 -32.132 1.00 61.09 ? 162 PHE b CD1 1 ? ? +30358 ATOM C CD2 . PHE V 2 161 ? 61.091 -5.736 -29.806 1.00 60.95 ? 162 PHE b CD2 1 ? ? +30359 ATOM C CE1 . PHE V 2 161 ? 60.949 -6.578 -32.438 1.00 60.78 ? 162 PHE b CE1 1 ? ? +30360 ATOM C CE2 . PHE V 2 161 ? 60.813 -7.076 -30.112 1.00 60.67 ? 162 PHE b CE2 1 ? ? +30361 ATOM C CZ . PHE V 2 161 ? 60.746 -7.489 -31.429 1.00 60.52 ? 162 PHE b CZ 1 ? ? +30362 ATOM C C . PHE V 2 161 ? 59.136 -2.537 -30.905 1.00 59.70 ? 162 PHE b C 1 ? ? +30363 ATOM O O . PHE V 2 161 ? 58.788 -2.928 -29.794 1.00 59.40 ? 162 PHE b O 1 ? ? +30364 ATOM N N . GLY V 2 162 ? 58.279 -2.191 -31.869 1.00 59.05 ? 163 GLY b N 1 ? ? +30365 ATOM C CA . GLY V 2 162 ? 56.841 -2.109 -31.686 1.00 58.00 ? 163 GLY b CA 1 ? ? +30366 ATOM C C . GLY V 2 162 ? 56.262 -1.020 -32.585 1.00 57.80 ? 163 GLY b C 1 ? ? +30367 ATOM O O . GLY V 2 162 ? 57.009 -0.254 -33.197 1.00 58.54 ? 163 GLY b O 1 ? ? +30368 ATOM N N . PRO V 2 163 ? 54.918 -0.898 -32.654 1.00 56.82 ? 164 PRO b N 1 ? ? +30369 ATOM C CA . PRO V 2 163 ? 54.253 -0.050 -33.642 1.00 56.60 ? 164 PRO b CA 1 ? ? +30370 ATOM C CB . PRO V 2 163 ? 52.880 -0.733 -33.760 1.00 55.61 ? 164 PRO b CB 1 ? ? +30371 ATOM C CG . PRO V 2 163 ? 52.603 -1.218 -32.363 1.00 55.30 ? 164 PRO b CG 1 ? ? +30372 ATOM C CD . PRO V 2 163 ? 53.958 -1.620 -31.798 1.00 56.08 ? 164 PRO b CD 1 ? ? +30373 ATOM C C . PRO V 2 163 ? 54.040 1.418 -33.283 1.00 56.84 ? 164 PRO b C 1 ? ? +30374 ATOM O O . PRO V 2 163 ? 53.689 2.204 -34.155 1.00 56.78 ? 164 PRO b O 1 ? ? +30375 ATOM N N . GLY V 2 164 ? 54.217 1.778 -32.005 1.00 57.16 ? 165 GLY b N 1 ? ? +30376 ATOM C CA . GLY V 2 164 ? 53.903 3.117 -31.525 1.00 57.46 ? 165 GLY b CA 1 ? ? +30377 ATOM C C . GLY V 2 164 ? 52.483 3.173 -30.968 1.00 56.83 ? 165 GLY b C 1 ? ? +30378 ATOM O O . GLY V 2 164 ? 52.002 2.173 -30.450 1.00 56.25 ? 165 GLY b O 1 ? ? +30379 ATOM N N . MET V 2 165 ? 51.818 4.333 -31.084 1.00 57.06 ? 166 MET b N 1 ? ? +30380 ATOM C CA . MET V 2 165 ? 50.434 4.482 -30.643 1.00 56.52 ? 166 MET b CA 1 ? ? +30381 ATOM C CB . MET V 2 165 ? 50.365 5.024 -29.196 1.00 56.89 ? 166 MET b CB 1 ? ? +30382 ATOM C CG . MET V 2 165 ? 50.864 6.475 -29.064 1.00 57.81 ? 166 MET b CG 1 ? ? +30383 ATOM S SD . MET V 2 165 ? 50.915 7.163 -27.367 1.00 58.49 ? 166 MET b SD 1 ? ? +30384 ATOM C CE . MET V 2 165 ? 49.186 7.663 -27.154 1.00 57.69 ? 166 MET b CE 1 ? ? +30385 ATOM C C . MET V 2 165 ? 49.674 5.445 -31.552 1.00 56.35 ? 166 MET b C 1 ? ? +30386 ATOM O O . MET V 2 165 ? 50.297 6.164 -32.333 1.00 56.72 ? 166 MET b O 1 ? ? +30387 ATOM N N . TRP V 2 166 ? 48.340 5.493 -31.383 1.00 55.64 ? 167 TRP b N 1 ? ? +30388 ATOM C CA . TRP V 2 166 ? 47.482 6.369 -32.165 1.00 55.62 ? 167 TRP b CA 1 ? ? +30389 ATOM C CB . TRP V 2 166 ? 45.981 6.044 -31.916 1.00 55.28 ? 167 TRP b CB 1 ? ? +30390 ATOM C CG . TRP V 2 166 ? 45.049 6.812 -32.807 1.00 55.46 ? 167 TRP b CG 1 ? ? +30391 ATOM C CD1 . TRP V 2 166 ? 44.654 8.107 -32.652 1.00 55.87 ? 167 TRP b CD1 1 ? ? +30392 ATOM N NE1 . TRP V 2 166 ? 43.828 8.476 -33.691 1.00 55.76 ? 167 TRP b NE1 1 ? ? +30393 ATOM C CE2 . TRP V 2 166 ? 43.729 7.436 -34.573 1.00 55.47 ? 167 TRP b CE2 1 ? ? +30394 ATOM C CZ2 . TRP V 2 166 ? 43.034 7.341 -35.783 1.00 55.45 ? 167 TRP b CZ2 1 ? ? +30395 ATOM C CH2 . TRP V 2 166 ? 43.107 6.142 -36.460 1.00 55.21 ? 167 TRP b CH2 1 ? ? +30396 ATOM C CZ3 . TRP V 2 166 ? 43.851 5.064 -35.960 1.00 55.14 ? 167 TRP b CZ3 1 ? ? +30397 ATOM C CE3 . TRP V 2 166 ? 44.555 5.169 -34.771 1.00 55.30 ? 167 TRP b CE3 1 ? ? +30398 ATOM C CD2 . TRP V 2 166 ? 44.487 6.367 -34.048 1.00 55.37 ? 167 TRP b CD2 1 ? ? +30399 ATOM C C . TRP V 2 166 ? 47.770 7.830 -31.839 1.00 56.09 ? 167 TRP b C 1 ? ? +30400 ATOM O O . TRP V 2 166 ? 47.913 8.186 -30.674 1.00 56.48 ? 167 TRP b O 1 ? ? +30401 ATOM N N . VAL V 2 167 ? 47.885 8.668 -32.874 1.00 56.26 ? 168 VAL b N 1 ? ? +30402 ATOM C CA . VAL V 2 167 ? 48.142 10.093 -32.716 1.00 56.68 ? 168 VAL b CA 1 ? ? +30403 ATOM C CB . VAL V 2 167 ? 49.652 10.495 -32.780 1.00 57.52 ? 168 VAL b CB 1 ? ? +30404 ATOM C CG1 . VAL V 2 167 ? 50.459 9.768 -31.739 1.00 57.69 ? 168 VAL b CG1 1 ? ? +30405 ATOM C CG2 . VAL V 2 167 ? 50.217 10.250 -34.165 1.00 57.78 ? 168 VAL b CG2 1 ? ? +30406 ATOM C C . VAL V 2 167 ? 47.371 10.784 -33.834 1.00 56.48 ? 168 VAL b C 1 ? ? +30407 ATOM O O . VAL V 2 167 ? 46.990 10.151 -34.807 1.00 56.09 ? 168 VAL b O 1 ? ? +30408 ATOM N N . SER V 2 168 ? 47.161 12.090 -33.705 1.00 56.88 ? 169 SER b N 1 ? ? +30409 ATOM C CA . SER V 2 168 ? 46.309 12.804 -34.637 1.00 56.96 ? 169 SER b CA 1 ? ? +30410 ATOM C CB . SER V 2 168 ? 44.840 12.482 -34.356 1.00 56.15 ? 169 SER b CB 1 ? ? +30411 ATOM O OG . SER V 2 168 ? 44.012 13.018 -35.374 1.00 56.06 ? 169 SER b OG 1 ? ? +30412 ATOM C C . SER V 2 168 ? 46.511 14.309 -34.549 1.00 57.74 ? 169 SER b C 1 ? ? +30413 ATOM O O . SER V 2 168 ? 47.017 14.810 -33.549 1.00 58.74 ? 169 SER b O 1 ? ? +30414 ATOM N N . ASP V 2 169 ? 46.103 15.021 -35.603 1.00 57.87 ? 170 ASP b N 1 ? ? +30415 ATOM C CA . ASP V 2 169 ? 46.059 16.473 -35.578 1.00 58.39 ? 170 ASP b CA 1 ? ? +30416 ATOM C CB . ASP V 2 169 ? 45.727 17.016 -36.973 1.00 58.59 ? 170 ASP b CB 1 ? ? +30417 ATOM C CG . ASP V 2 169 ? 44.288 16.734 -37.348 1.00 57.99 ? 170 ASP b CG 1 ? ? +30418 ATOM O OD1 . ASP V 2 169 ? 43.980 15.572 -37.702 1.00 57.54 ? 170 ASP b OD1 1 ? ? +30419 ATOM O OD2 . ASP V 2 169 ? 43.454 17.648 -37.215 1.00 58.10 ? 170 ASP b OD2 1 ? ? +30420 ATOM C C . ASP V 2 169 ? 45.011 16.930 -34.561 1.00 58.03 ? 170 ASP b C 1 ? ? +30421 ATOM O O . ASP V 2 169 ? 44.149 16.143 -34.149 1.00 57.23 ? 170 ASP b O 1 ? ? +30422 ATOM N N . PRO V 2 170 ? 45.018 18.221 -34.156 1.00 58.49 ? 171 PRO b N 1 ? ? +30423 ATOM C CA . PRO V 2 170 ? 44.110 18.710 -33.122 1.00 58.24 ? 171 PRO b CA 1 ? ? +30424 ATOM C CB . PRO V 2 170 ? 44.525 20.177 -32.973 1.00 59.08 ? 171 PRO b CB 1 ? ? +30425 ATOM C CG . PRO V 2 170 ? 45.860 20.282 -33.572 1.00 59.77 ? 171 PRO b CG 1 ? ? +30426 ATOM C CD . PRO V 2 170 ? 45.892 19.285 -34.665 1.00 59.43 ? 171 PRO b CD 1 ? ? +30427 ATOM C C . PRO V 2 170 ? 42.613 18.657 -33.425 1.00 57.49 ? 171 PRO b C 1 ? ? +30428 ATOM O O . PRO V 2 170 ? 41.826 19.012 -32.555 1.00 57.24 ? 171 PRO b O 1 ? ? +30429 ATOM N N . TYR V 2 171 ? 42.235 18.267 -34.653 1.00 57.23 ? 172 TYR b N 1 ? ? +30430 ATOM C CA . TYR V 2 171 ? 40.836 18.216 -35.056 1.00 56.61 ? 172 TYR b CA 1 ? ? +30431 ATOM C CB . TYR V 2 171 ? 40.563 19.255 -36.160 1.00 57.08 ? 172 TYR b CB 1 ? ? +30432 ATOM C CG . TYR V 2 171 ? 40.755 20.657 -35.631 1.00 57.75 ? 172 TYR b CG 1 ? ? +30433 ATOM C CD1 . TYR V 2 171 ? 39.816 21.238 -34.791 1.00 57.53 ? 172 TYR b CD1 1 ? ? +30434 ATOM C CD2 . TYR V 2 171 ? 41.917 21.370 -35.895 1.00 58.61 ? 172 TYR b CD2 1 ? ? +30435 ATOM C CE1 . TYR V 2 171 ? 40.011 22.510 -34.263 1.00 58.13 ? 172 TYR b CE1 1 ? ? +30436 ATOM C CE2 . TYR V 2 171 ? 42.120 22.639 -35.371 1.00 59.22 ? 172 TYR b CE2 1 ? ? +30437 ATOM C CZ . TYR V 2 171 ? 41.163 23.203 -34.554 1.00 58.95 ? 172 TYR b CZ 1 ? ? +30438 ATOM O OH . TYR V 2 171 ? 41.349 24.448 -34.024 1.00 59.73 ? 172 TYR b OH 1 ? ? +30439 ATOM C C . TYR V 2 171 ? 40.402 16.823 -35.498 1.00 55.90 ? 172 TYR b C 1 ? ? +30440 ATOM O O . TYR V 2 171 ? 39.325 16.659 -36.070 1.00 55.64 ? 172 TYR b O 1 ? ? +30441 ATOM N N . GLY V 2 172 ? 41.220 15.813 -35.176 1.00 55.71 ? 173 GLY b N 1 ? ? +30442 ATOM C CA . GLY V 2 172 ? 40.862 14.422 -35.395 1.00 54.89 ? 173 GLY b CA 1 ? ? +30443 ATOM C C . GLY V 2 172 ? 40.559 14.106 -36.854 1.00 54.77 ? 173 GLY b C 1 ? ? +30444 ATOM O O . GLY V 2 172 ? 39.623 13.372 -37.133 1.00 54.02 ? 173 GLY b O 1 ? ? +30445 ATOM N N . LEU V 2 173 ? 41.375 14.648 -37.768 1.00 55.52 ? 174 LEU b N 1 ? ? +30446 ATOM C CA . LEU V 2 173 ? 41.181 14.459 -39.197 1.00 55.61 ? 174 LEU b CA 1 ? ? +30447 ATOM C CB . LEU V 2 173 ? 41.356 15.808 -39.916 1.00 56.14 ? 174 LEU b CB 1 ? ? +30448 ATOM C CG . LEU V 2 173 ? 40.267 16.844 -39.647 1.00 55.99 ? 174 LEU b CG 1 ? ? +30449 ATOM C CD1 . LEU V 2 173 ? 40.407 18.046 -40.512 1.00 56.58 ? 174 LEU b CD1 1 ? ? +30450 ATOM C CD2 . LEU V 2 173 ? 38.871 16.273 -39.892 1.00 55.27 ? 174 LEU b CD2 1 ? ? +30451 ATOM C C . LEU V 2 173 ? 42.109 13.422 -39.827 1.00 56.04 ? 174 LEU b C 1 ? ? +30452 ATOM O O . LEU V 2 173 ? 41.697 12.698 -40.725 1.00 55.86 ? 174 LEU b O 1 ? ? +30453 ATOM N N . THR V 2 174 ? 43.352 13.338 -39.344 1.00 56.86 ? 175 THR b N 1 ? ? +30454 ATOM C CA . THR V 2 174 ? 44.391 12.562 -40.005 1.00 57.27 ? 175 THR b CA 1 ? ? +30455 ATOM C CB . THR V 2 174 ? 45.369 13.538 -40.579 1.00 58.29 ? 175 THR b CB 1 ? ? +30456 ATOM O OG1 . THR V 2 174 ? 45.887 14.339 -39.505 1.00 58.84 ? 175 THR b OG1 1 ? ? +30457 ATOM C CG2 . THR V 2 174 ? 44.732 14.420 -41.628 1.00 58.50 ? 175 THR b CG2 1 ? ? +30458 ATOM C C . THR V 2 174 ? 45.094 11.577 -39.075 1.00 57.19 ? 175 THR b C 1 ? ? +30459 ATOM O O . THR V 2 174 ? 46.301 11.412 -39.142 1.00 58.06 ? 175 THR b O 1 ? ? +30460 ATOM N N . GLY V 2 175 ? 44.332 10.921 -38.200 1.00 56.47 ? 176 GLY b N 1 ? ? +30461 ATOM C CA . GLY V 2 175 ? 44.898 10.003 -37.227 1.00 56.30 ? 176 GLY b CA 1 ? ? +30462 ATOM C C . GLY V 2 175 ? 45.568 8.773 -37.840 1.00 56.27 ? 176 GLY b C 1 ? ? +30463 ATOM O O . GLY V 2 175 ? 45.192 8.313 -38.910 1.00 56.26 ? 176 GLY b O 1 ? ? +30464 ATOM N N . SER V 2 176 ? 46.584 8.252 -37.149 1.00 56.33 ? 177 SER b N 1 ? ? +30465 ATOM C CA . SER V 2 176 ? 47.275 7.044 -37.563 1.00 56.01 ? 177 SER b CA 1 ? ? +30466 ATOM C CB . SER V 2 176 ? 48.181 7.305 -38.755 1.00 56.75 ? 177 SER b CB 1 ? ? +30467 ATOM O OG . SER V 2 176 ? 49.187 8.257 -38.439 1.00 57.52 ? 177 SER b OG 1 ? ? +30468 ATOM C C . SER V 2 176 ? 48.100 6.546 -36.384 1.00 55.83 ? 177 SER b C 1 ? ? +30469 ATOM O O . SER V 2 176 ? 48.238 7.247 -35.389 1.00 56.03 ? 177 SER b O 1 ? ? +30470 ATOM N N . VAL V 2 177 ? 48.632 5.327 -36.499 1.00 55.37 ? 178 VAL b N 1 ? ? +30471 ATOM C CA . VAL V 2 177 ? 49.596 4.832 -35.537 1.00 55.40 ? 178 VAL b CA 1 ? ? +30472 ATOM C CB . VAL V 2 177 ? 49.490 3.322 -35.403 1.00 54.86 ? 178 VAL b CB 1 ? ? +30473 ATOM C CG1 . VAL V 2 177 ? 50.625 2.765 -34.544 1.00 55.22 ? 178 VAL b CG1 1 ? ? +30474 ATOM C CG2 . VAL V 2 177 ? 48.093 2.938 -34.859 1.00 54.04 ? 178 VAL b CG2 1 ? ? +30475 ATOM C C . VAL V 2 177 ? 50.973 5.303 -35.996 1.00 56.09 ? 178 VAL b C 1 ? ? +30476 ATOM O O . VAL V 2 177 ? 51.336 5.074 -37.145 1.00 56.21 ? 178 VAL b O 1 ? ? +30477 ATOM N N . GLN V 2 178 ? 51.685 5.987 -35.089 1.00 56.47 ? 179 GLN b N 1 ? ? +30478 ATOM C CA . GLN V 2 178 ? 53.031 6.484 -35.312 1.00 57.30 ? 179 GLN b CA 1 ? ? +30479 ATOM C CB . GLN V 2 178 ? 53.080 8.014 -35.470 1.00 57.91 ? 179 GLN b CB 1 ? ? +30480 ATOM C CG . GLN V 2 178 ? 52.380 8.634 -36.656 1.00 57.93 ? 179 GLN b CG 1 ? ? +30481 ATOM C CD . GLN V 2 178 ? 52.981 8.328 -38.015 1.00 58.52 ? 179 GLN b CD 1 ? ? +30482 ATOM O OE1 . GLN V 2 178 ? 54.190 8.487 -38.329 1.00 59.54 ? 179 GLN b OE1 1 ? ? +30483 ATOM N NE2 . GLN V 2 178 ? 52.106 7.900 -38.892 1.00 58.11 ? 179 GLN b NE2 1 ? ? +30484 ATOM C C . GLN V 2 178 ? 53.904 6.182 -34.102 1.00 57.49 ? 179 GLN b C 1 ? ? +30485 ATOM O O . GLN V 2 178 ? 53.419 6.191 -32.971 1.00 56.99 ? 179 GLN b O 1 ? ? +30486 ATOM N N . PRO V 2 179 ? 55.235 6.010 -34.291 1.00 58.15 ? 180 PRO b N 1 ? ? +30487 ATOM C CA . PRO V 2 179 ? 56.176 6.033 -33.173 1.00 58.62 ? 180 PRO b CA 1 ? ? +30488 ATOM C CB . PRO V 2 179 ? 57.519 5.743 -33.850 1.00 59.50 ? 180 PRO b CB 1 ? ? +30489 ATOM C CG . PRO V 2 179 ? 57.329 6.116 -35.286 1.00 59.56 ? 180 PRO b CG 1 ? ? +30490 ATOM C CD . PRO V 2 179 ? 55.900 5.831 -35.590 1.00 58.57 ? 180 PRO b CD 1 ? ? +30491 ATOM C C . PRO V 2 179 ? 56.135 7.404 -32.508 1.00 58.90 ? 180 PRO b C 1 ? ? +30492 ATOM O O . PRO V 2 179 ? 55.932 8.403 -33.189 1.00 59.10 ? 180 PRO b O 1 ? ? +30493 ATOM N N . VAL V 2 180 ? 56.320 7.450 -31.184 1.00 58.99 ? 181 VAL b N 1 ? ? +30494 ATOM C CA . VAL V 2 180 ? 56.281 8.707 -30.452 1.00 59.40 ? 181 VAL b CA 1 ? ? +30495 ATOM C CB . VAL V 2 180 ? 54.992 8.850 -29.606 1.00 58.53 ? 181 VAL b CB 1 ? ? +30496 ATOM C CG1 . VAL V 2 180 ? 55.018 10.100 -28.744 1.00 58.91 ? 181 VAL b CG1 1 ? ? +30497 ATOM C CG2 . VAL V 2 180 ? 53.742 8.842 -30.486 1.00 57.78 ? 181 VAL b CG2 1 ? ? +30498 ATOM C C . VAL V 2 180 ? 57.533 8.791 -29.582 1.00 60.41 ? 181 VAL b C 1 ? ? +30499 ATOM O O . VAL V 2 180 ? 57.825 7.861 -28.835 1.00 60.24 ? 181 VAL b O 1 ? ? +30500 ATOM N N . ALA V 2 181 ? 58.264 9.909 -29.699 1.00 61.54 ? 182 ALA b N 1 ? ? +30501 ATOM C CA . ALA V 2 181 ? 59.465 10.149 -28.908 1.00 62.71 ? 182 ALA b CA 1 ? ? +30502 ATOM C CB . ALA V 2 181 ? 60.391 11.131 -29.593 1.00 63.57 ? 182 ALA b CB 1 ? ? +30503 ATOM C C . ALA V 2 181 ? 59.059 10.690 -27.541 1.00 63.02 ? 182 ALA b C 1 ? ? +30504 ATOM O O . ALA V 2 181 ? 58.060 11.405 -27.419 1.00 62.65 ? 182 ALA b O 1 ? ? +30505 ATOM N N . PRO V 2 182 ? 59.809 10.368 -26.465 1.00 63.82 ? 183 PRO b N 1 ? ? +30506 ATOM C CA . PRO V 2 182 ? 59.475 10.888 -25.140 1.00 64.04 ? 183 PRO b CA 1 ? ? +30507 ATOM C CB . PRO V 2 182 ? 60.477 10.186 -24.222 1.00 64.55 ? 183 PRO b CB 1 ? ? +30508 ATOM C CG . PRO V 2 182 ? 61.658 9.806 -25.147 1.00 65.16 ? 183 PRO b CG 1 ? ? +30509 ATOM C CD . PRO V 2 182 ? 61.003 9.506 -26.474 1.00 64.46 ? 183 PRO b CD 1 ? ? +30510 ATOM C C . PRO V 2 182 ? 59.626 12.406 -25.085 1.00 65.00 ? 183 PRO b C 1 ? ? +30511 ATOM O O . PRO V 2 182 ? 60.487 12.963 -25.750 1.00 65.78 ? 183 PRO b O 1 ? ? +30512 ATOM N N . GLU V 2 183 ? 58.779 13.061 -24.284 1.00 65.12 ? 184 GLU b N 1 ? ? +30513 ATOM C CA . GLU V 2 183 ? 58.933 14.473 -23.967 1.00 65.92 ? 184 GLU b CA 1 ? ? +30514 ATOM C CB . GLU V 2 183 ? 57.591 15.225 -24.153 1.00 65.47 ? 184 GLU b CB 1 ? ? +30515 ATOM C CG . GLU V 2 183 ? 57.591 16.693 -23.743 1.00 66.16 ? 184 GLU b CG 1 ? ? +30516 ATOM C CD . GLU V 2 183 ? 58.685 17.540 -24.378 1.00 67.40 ? 184 GLU b CD 1 ? ? +30517 ATOM O OE1 . GLU V 2 183 ? 58.889 17.408 -25.604 1.00 67.73 ? 184 GLU b OE1 1 ? ? +30518 ATOM O OE2 . GLU V 2 183 ? 59.332 18.339 -23.665 1.00 68.17 ? 184 GLU b OE2 1 ? ? +30519 ATOM C C . GLU V 2 183 ? 59.449 14.578 -22.534 1.00 66.55 ? 184 GLU b C 1 ? ? +30520 ATOM O O . GLU V 2 183 ? 58.741 14.229 -21.584 1.00 65.91 ? 184 GLU b O 1 ? ? +30521 ATOM N N . TRP V 2 184 ? 60.698 15.051 -22.397 1.00 67.72 ? 185 TRP b N 1 ? ? +30522 ATOM C CA . TRP V 2 184 ? 61.366 15.122 -21.109 1.00 68.43 ? 185 TRP b CA 1 ? ? +30523 ATOM C CB . TRP V 2 184 ? 62.842 14.736 -21.271 1.00 69.36 ? 185 TRP b CB 1 ? ? +30524 ATOM C CG . TRP V 2 184 ? 63.005 13.307 -21.670 1.00 68.88 ? 185 TRP b CG 1 ? ? +30525 ATOM C CD1 . TRP V 2 184 ? 63.521 12.839 -22.837 1.00 69.05 ? 185 TRP b CD1 1 ? ? +30526 ATOM N NE1 . TRP V 2 184 ? 63.470 11.468 -22.856 1.00 68.57 ? 185 TRP b NE1 1 ? ? +30527 ATOM C CE2 . TRP V 2 184 ? 62.909 11.020 -21.686 1.00 67.99 ? 185 TRP b CE2 1 ? ? +30528 ATOM C CZ2 . TRP V 2 184 ? 62.645 9.721 -21.247 1.00 67.44 ? 185 TRP b CZ2 1 ? ? +30529 ATOM C CH2 . TRP V 2 184 ? 62.076 9.575 -20.004 1.00 67.02 ? 185 TRP b CH2 1 ? ? +30530 ATOM C CZ3 . TRP V 2 184 ? 61.748 10.683 -19.217 1.00 67.14 ? 185 TRP b CZ3 1 ? ? +30531 ATOM C CE3 . TRP V 2 184 ? 62.001 11.971 -19.654 1.00 67.69 ? 185 TRP b CE3 1 ? ? +30532 ATOM C CD2 . TRP V 2 184 ? 62.598 12.153 -20.914 1.00 68.17 ? 185 TRP b CD2 1 ? ? +30533 ATOM C C . TRP V 2 184 ? 61.222 16.491 -20.453 1.00 69.13 ? 185 TRP b C 1 ? ? +30534 ATOM O O . TRP V 2 184 ? 61.605 16.671 -19.303 1.00 69.64 ? 185 TRP b O 1 ? ? +30535 ATOM N N . GLY V 2 185 ? 60.639 17.444 -21.185 1.00 69.30 ? 186 GLY b N 1 ? ? +30536 ATOM C CA . GLY V 2 185 ? 60.363 18.764 -20.648 1.00 69.81 ? 186 GLY b CA 1 ? ? +30537 ATOM C C . GLY V 2 185 ? 59.020 18.849 -19.922 1.00 69.00 ? 186 GLY b C 1 ? ? +30538 ATOM O O . GLY V 2 185 ? 58.342 17.839 -19.729 1.00 67.76 ? 186 GLY b O 1 ? ? +30539 ATOM N N . PRO V 2 186 ? 58.639 20.063 -19.461 1.00 69.32 ? 187 PRO b N 1 ? ? +30540 ATOM C CA . PRO V 2 186 ? 57.449 20.244 -18.635 1.00 68.54 ? 187 PRO b CA 1 ? ? +30541 ATOM C CB . PRO V 2 186 ? 57.593 21.692 -18.140 1.00 69.41 ? 187 PRO b CB 1 ? ? +30542 ATOM C CG . PRO V 2 186 ? 58.468 22.368 -19.129 1.00 70.34 ? 187 PRO b CG 1 ? ? +30543 ATOM C CD . PRO V 2 186 ? 59.406 21.312 -19.632 1.00 70.60 ? 187 PRO b CD 1 ? ? +30544 ATOM C C . PRO V 2 186 ? 56.126 20.010 -19.362 1.00 67.49 ? 187 PRO b C 1 ? ? +30545 ATOM O O . PRO V 2 186 ? 55.104 19.789 -18.718 1.00 66.47 ? 187 PRO b O 1 ? ? +30546 ATOM N N . ASP V 2 187 ? 56.153 20.045 -20.702 1.00 67.45 ? 188 ASP b N 1 ? ? +30547 ATOM C CA . ASP V 2 187 ? 54.979 19.738 -21.497 1.00 66.48 ? 188 ASP b CA 1 ? ? +30548 ATOM C CB . ASP V 2 187 ? 55.094 20.307 -22.929 1.00 66.97 ? 188 ASP b CB 1 ? ? +30549 ATOM C CG . ASP V 2 187 ? 53.723 20.408 -23.627 1.00 66.56 ? 188 ASP b CG 1 ? ? +30550 ATOM O OD1 . ASP V 2 187 ? 52.824 21.109 -23.094 1.00 66.29 ? 188 ASP b OD1 1 ? ? +30551 ATOM O OD2 . ASP V 2 187 ? 53.540 19.767 -24.683 1.00 66.54 ? 188 ASP b OD2 1 ? ? +30552 ATOM C C . ASP V 2 187 ? 54.717 18.233 -21.515 1.00 65.42 ? 188 ASP b C 1 ? ? +30553 ATOM O O . ASP V 2 187 ? 53.659 17.787 -21.943 1.00 64.68 ? 188 ASP b O 1 ? ? +30554 ATOM N N . GLY V 2 188 ? 55.681 17.450 -21.026 1.00 65.49 ? 189 GLY b N 1 ? ? +30555 ATOM C CA . GLY V 2 188 ? 55.475 16.033 -20.790 1.00 64.64 ? 189 GLY b CA 1 ? ? +30556 ATOM C C . GLY V 2 188 ? 54.321 15.752 -19.829 1.00 63.69 ? 189 GLY b C 1 ? ? +30557 ATOM O O . GLY V 2 188 ? 53.759 14.660 -19.841 1.00 62.85 ? 189 GLY b O 1 ? ? +30558 ATOM N N . PHE V 2 189 ? 53.985 16.737 -18.988 1.00 63.67 ? 190 PHE b N 1 ? ? +30559 ATOM C CA . PHE V 2 189 ? 52.878 16.602 -18.053 1.00 62.85 ? 190 PHE b CA 1 ? ? +30560 ATOM C CB . PHE V 2 189 ? 53.271 17.237 -16.708 1.00 63.39 ? 190 PHE b CB 1 ? ? +30561 ATOM C CG . PHE V 2 189 ? 54.487 16.541 -16.153 1.00 63.96 ? 190 PHE b CG 1 ? ? +30562 ATOM C CD1 . PHE V 2 189 ? 54.373 15.317 -15.523 1.00 63.53 ? 190 PHE b CD1 1 ? ? +30563 ATOM C CD2 . PHE V 2 189 ? 55.746 17.073 -16.330 1.00 65.07 ? 190 PHE b CD2 1 ? ? +30564 ATOM C CE1 . PHE V 2 189 ? 55.484 14.659 -15.044 1.00 64.19 ? 190 PHE b CE1 1 ? ? +30565 ATOM C CE2 . PHE V 2 189 ? 56.869 16.408 -15.860 1.00 65.76 ? 190 PHE b CE2 1 ? ? +30566 ATOM C CZ . PHE V 2 189 ? 56.731 15.206 -15.215 1.00 65.37 ? 190 PHE b CZ 1 ? ? +30567 ATOM C C . PHE V 2 189 ? 51.581 17.188 -18.608 1.00 62.02 ? 190 PHE b C 1 ? ? +30568 ATOM O O . PHE V 2 189 ? 50.595 17.281 -17.894 1.00 61.66 ? 190 PHE b O 1 ? ? +30569 ATOM N N . ASN V 2 190 ? 51.600 17.580 -19.886 1.00 61.87 ? 191 ASN b N 1 ? ? +30570 ATOM C CA . ASN V 2 190 ? 50.416 18.030 -20.587 1.00 61.18 ? 191 ASN b CA 1 ? ? +30571 ATOM C CB . ASN V 2 190 ? 50.785 18.886 -21.801 1.00 61.80 ? 191 ASN b CB 1 ? ? +30572 ATOM C CG . ASN V 2 190 ? 49.594 19.463 -22.570 1.00 61.54 ? 191 ASN b CG 1 ? ? +30573 ATOM O OD1 . ASN V 2 190 ? 48.405 19.047 -22.424 1.00 60.81 ? 191 ASN b OD1 1 ? ? +30574 ATOM N ND2 . ASN V 2 190 ? 49.891 20.434 -23.431 1.00 62.11 ? 191 ASN b ND2 1 ? ? +30575 ATOM C C . ASN V 2 190 ? 49.617 16.797 -20.994 1.00 60.01 ? 191 ASN b C 1 ? ? +30576 ATOM O O . ASN V 2 190 ? 50.117 15.945 -21.729 1.00 59.84 ? 191 ASN b O 1 ? ? +30577 ATOM N N . PRO V 2 191 ? 48.346 16.668 -20.550 1.00 59.00 ? 192 PRO b N 1 ? ? +30578 ATOM C CA . PRO V 2 191 ? 47.573 15.457 -20.826 1.00 58.06 ? 192 PRO b CA 1 ? ? +30579 ATOM C CB . PRO V 2 191 ? 46.251 15.702 -20.081 1.00 57.54 ? 192 PRO b CB 1 ? ? +30580 ATOM C CG . PRO V 2 191 ? 46.153 17.200 -19.939 1.00 58.04 ? 192 PRO b CG 1 ? ? +30581 ATOM C CD . PRO V 2 191 ? 47.587 17.682 -19.802 1.00 58.96 ? 192 PRO b CD 1 ? ? +30582 ATOM C C . PRO V 2 191 ? 47.392 15.208 -22.325 1.00 57.74 ? 192 PRO b C 1 ? ? +30583 ATOM O O . PRO V 2 191 ? 47.216 14.061 -22.744 1.00 57.23 ? 192 PRO b O 1 ? ? +30584 ATOM N N . TYR V 2 192 ? 47.466 16.284 -23.126 1.00 58.04 ? 193 TYR b N 1 ? ? +30585 ATOM C CA . TYR V 2 192 ? 47.330 16.187 -24.571 1.00 57.90 ? 193 TYR b CA 1 ? ? +30586 ATOM C CB . TYR V 2 192 ? 46.603 17.423 -25.108 1.00 58.05 ? 193 TYR b CB 1 ? ? +30587 ATOM C CG . TYR V 2 192 ? 45.216 17.568 -24.528 1.00 57.53 ? 193 TYR b CG 1 ? ? +30588 ATOM C CD1 . TYR V 2 192 ? 44.185 16.742 -24.935 1.00 56.73 ? 193 TYR b CD1 1 ? ? +30589 ATOM C CD2 . TYR V 2 192 ? 44.954 18.491 -23.527 1.00 57.83 ? 193 TYR b CD2 1 ? ? +30590 ATOM C CE1 . TYR V 2 192 ? 42.914 16.858 -24.397 1.00 56.23 ? 193 TYR b CE1 1 ? ? +30591 ATOM C CE2 . TYR V 2 192 ? 43.696 18.602 -22.965 1.00 57.31 ? 193 TYR b CE2 1 ? ? +30592 ATOM C CZ . TYR V 2 192 ? 42.669 17.800 -23.418 1.00 56.50 ? 193 TYR b CZ 1 ? ? +30593 ATOM O OH . TYR V 2 192 ? 41.420 17.906 -22.863 1.00 55.96 ? 193 TYR b OH 1 ? ? +30594 ATOM C C . TYR V 2 192 ? 48.651 16.030 -25.321 1.00 58.52 ? 193 TYR b C 1 ? ? +30595 ATOM O O . TYR V 2 192 ? 48.640 15.962 -26.546 1.00 59.08 ? 193 TYR b O 1 ? ? +30596 ATOM N N . ASN V 2 193 ? 49.788 15.976 -24.611 1.00 58.70 ? 194 ASN b N 1 ? ? +30597 ATOM C CA . ASN V 2 193 ? 51.044 15.677 -25.272 1.00 58.96 ? 194 ASN b CA 1 ? ? +30598 ATOM C CB . ASN V 2 193 ? 52.188 16.407 -24.623 1.00 59.96 ? 194 ASN b CB 1 ? ? +30599 ATOM C CG . ASN V 2 193 ? 53.421 16.371 -25.468 1.00 60.65 ? 194 ASN b CG 1 ? ? +30600 ATOM O OD1 . ASN V 2 193 ? 53.747 15.371 -26.126 1.00 60.43 ? 194 ASN b OD1 1 ? ? +30601 ATOM N ND2 . ASN V 2 193 ? 54.109 17.466 -25.494 1.00 61.57 ? 194 ASN b ND2 1 ? ? +30602 ATOM C C . ASN V 2 193 ? 51.304 14.173 -25.252 1.00 58.29 ? 194 ASN b C 1 ? ? +30603 ATOM O O . ASN V 2 193 ? 51.533 13.593 -24.190 1.00 58.18 ? 194 ASN b O 1 ? ? +30604 ATOM N N . PRO V 2 194 ? 51.268 13.485 -26.419 1.00 57.73 ? 195 PRO b N 1 ? ? +30605 ATOM C CA . PRO V 2 194 ? 51.536 12.048 -26.464 1.00 57.34 ? 195 PRO b CA 1 ? ? +30606 ATOM C CB . PRO V 2 194 ? 51.358 11.714 -27.946 1.00 57.09 ? 195 PRO b CB 1 ? ? +30607 ATOM C CG . PRO V 2 194 ? 50.725 12.895 -28.571 1.00 57.11 ? 195 PRO b CG 1 ? ? +30608 ATOM C CD . PRO V 2 194 ? 51.015 14.061 -27.750 1.00 57.70 ? 195 PRO b CD 1 ? ? +30609 ATOM C C . PRO V 2 194 ? 52.946 11.667 -25.991 1.00 58.04 ? 195 PRO b C 1 ? ? +30610 ATOM O O . PRO V 2 194 ? 53.137 10.612 -25.391 1.00 57.84 ? 195 PRO b O 1 ? ? +30611 ATOM N N . GLY V 2 195 ? 53.933 12.525 -26.275 1.00 58.82 ? 196 GLY b N 1 ? ? +30612 ATOM C CA . GLY V 2 195 ? 55.296 12.289 -25.835 1.00 59.66 ? 196 GLY b CA 1 ? ? +30613 ATOM C C . GLY V 2 195 ? 55.442 12.121 -24.324 1.00 59.72 ? 196 GLY b C 1 ? ? +30614 ATOM O O . GLY V 2 195 ? 56.325 11.388 -23.859 1.00 60.09 ? 196 GLY b O 1 ? ? +30615 ATOM N N . GLY V 2 196 ? 54.578 12.823 -23.574 1.00 59.32 ? 197 GLY b N 1 ? ? +30616 ATOM C CA . GLY V 2 196 ? 54.500 12.653 -22.133 1.00 59.21 ? 197 GLY b CA 1 ? ? +30617 ATOM C C . GLY V 2 196 ? 54.127 11.234 -21.713 1.00 58.49 ? 197 GLY b C 1 ? ? +30618 ATOM O O . GLY V 2 196 ? 54.569 10.758 -20.673 1.00 58.67 ? 197 GLY b O 1 ? ? +30619 ATOM N N . VAL V 2 197 ? 53.294 10.577 -22.527 1.00 57.65 ? 198 VAL b N 1 ? ? +30620 ATOM C CA . VAL V 2 197 ? 52.875 9.217 -22.249 1.00 56.98 ? 198 VAL b CA 1 ? ? +30621 ATOM C CB . VAL V 2 197 ? 51.721 8.776 -23.153 1.00 56.11 ? 198 VAL b CB 1 ? ? +30622 ATOM C CG1 . VAL V 2 197 ? 51.275 7.361 -22.801 1.00 55.47 ? 198 VAL b CG1 1 ? ? +30623 ATOM C CG2 . VAL V 2 197 ? 50.551 9.747 -23.070 1.00 55.74 ? 198 VAL b CG2 1 ? ? +30624 ATOM C C . VAL V 2 197 ? 54.059 8.264 -22.385 1.00 57.37 ? 198 VAL b C 1 ? ? +30625 ATOM O O . VAL V 2 197 ? 54.240 7.355 -21.582 1.00 57.23 ? 198 VAL b O 1 ? ? +30626 ATOM N N . VAL V 2 198 ? 54.873 8.478 -23.411 1.00 57.90 ? 199 VAL b N 1 ? ? +30627 ATOM C CA . VAL V 2 198 ? 56.086 7.690 -23.568 1.00 58.47 ? 199 VAL b CA 1 ? ? +30628 ATOM C CB . VAL V 2 198 ? 56.780 8.013 -24.908 1.00 58.96 ? 199 VAL b CB 1 ? ? +30629 ATOM C CG1 . VAL V 2 198 ? 58.073 7.218 -25.074 1.00 59.59 ? 199 VAL b CG1 1 ? ? +30630 ATOM C CG2 . VAL V 2 198 ? 55.828 7.760 -26.074 1.00 58.21 ? 199 VAL b CG2 1 ? ? +30631 ATOM C C . VAL V 2 198 ? 57.018 7.904 -22.374 1.00 59.18 ? 199 VAL b C 1 ? ? +30632 ATOM O O . VAL V 2 198 ? 57.487 6.937 -21.771 1.00 59.27 ? 199 VAL b O 1 ? ? +30633 ATOM N N . ALA V 2 199 ? 57.260 9.178 -22.035 1.00 59.71 ? 200 ALA b N 1 ? ? +30634 ATOM C CA . ALA V 2 199 ? 58.189 9.530 -20.972 1.00 60.51 ? 200 ALA b CA 1 ? ? +30635 ATOM C CB . ALA V 2 199 ? 58.321 11.036 -20.857 1.00 61.10 ? 200 ALA b CB 1 ? ? +30636 ATOM C C . ALA V 2 199 ? 57.733 8.948 -19.639 1.00 60.10 ? 200 ALA b C 1 ? ? +30637 ATOM O O . ALA V 2 199 ? 58.562 8.491 -18.856 1.00 60.64 ? 200 ALA b O 1 ? ? +30638 ATOM N N . HIS V 2 200 ? 56.410 8.979 -19.403 1.00 59.15 ? 201 HIS b N 1 ? ? +30639 ATOM C CA . HIS V 2 200 ? 55.825 8.466 -18.180 1.00 58.70 ? 201 HIS b CA 1 ? ? +30640 ATOM C CB . HIS V 2 200 ? 54.278 8.519 -18.176 1.00 57.73 ? 201 HIS b CB 1 ? ? +30641 ATOM C CG . HIS V 2 200 ? 53.683 7.672 -17.090 1.00 57.23 ? 201 HIS b CG 1 ? ? +30642 ATOM N ND1 . HIS V 2 200 ? 53.326 6.372 -17.308 1.00 56.66 ? 201 HIS b ND1 1 ? ? +30643 ATOM C CE1 . HIS V 2 200 ? 52.887 5.907 -16.149 1.00 56.40 ? 201 HIS b CE1 1 ? ? +30644 ATOM N NE2 . HIS V 2 200 ? 52.952 6.835 -15.214 1.00 56.80 ? 201 HIS b NE2 1 ? ? +30645 ATOM C CD2 . HIS V 2 200 ? 53.476 7.949 -15.792 1.00 57.35 ? 201 HIS b CD2 1 ? ? +30646 ATOM C C . HIS V 2 200 ? 56.220 7.021 -17.930 1.00 58.56 ? 201 HIS b C 1 ? ? +30647 ATOM O O . HIS V 2 200 ? 56.640 6.687 -16.834 1.00 58.94 ? 201 HIS b O 1 ? ? +30648 ATOM N N . HIS V 2 201 ? 56.019 6.166 -18.933 1.00 58.06 ? 202 HIS b N 1 ? ? +30649 ATOM C CA . HIS V 2 201 ? 56.272 4.745 -18.781 1.00 57.86 ? 202 HIS b CA 1 ? ? +30650 ATOM C CB . HIS V 2 201 ? 55.660 4.008 -19.958 1.00 57.14 ? 202 HIS b CB 1 ? ? +30651 ATOM C CG . HIS V 2 201 ? 54.163 4.091 -19.949 1.00 56.23 ? 202 HIS b CG 1 ? ? +30652 ATOM N ND1 . HIS V 2 201 ? 53.412 3.394 -19.028 1.00 55.68 ? 202 HIS b ND1 1 ? ? +30653 ATOM C CE1 . HIS V 2 201 ? 52.164 3.729 -19.257 1.00 55.02 ? 202 HIS b CE1 1 ? ? +30654 ATOM N NE2 . HIS V 2 201 ? 52.065 4.584 -20.259 1.00 55.08 ? 202 HIS b NE2 1 ? ? +30655 ATOM C CD2 . HIS V 2 201 ? 53.331 4.828 -20.710 1.00 55.82 ? 202 HIS b CD2 1 ? ? +30656 ATOM C C . HIS V 2 201 ? 57.762 4.439 -18.606 1.00 58.79 ? 202 HIS b C 1 ? ? +30657 ATOM O O . HIS V 2 201 ? 58.123 3.606 -17.779 1.00 58.89 ? 202 HIS b O 1 ? ? +30658 ATOM N N . ILE V 2 202 ? 58.626 5.130 -19.356 1.00 59.51 ? 203 ILE b N 1 ? ? +30659 ATOM C CA . ILE V 2 202 ? 60.064 4.955 -19.198 1.00 60.56 ? 203 ILE b CA 1 ? ? +30660 ATOM C CB . ILE V 2 202 ? 60.883 5.771 -20.237 1.00 61.21 ? 203 ILE b CB 1 ? ? +30661 ATOM C CG1 . ILE V 2 202 ? 60.675 5.205 -21.648 1.00 60.77 ? 203 ILE b CG1 1 ? ? +30662 ATOM C CG2 . ILE V 2 202 ? 62.400 5.833 -19.872 1.00 62.36 ? 203 ILE b CG2 1 ? ? +30663 ATOM C CD1 . ILE V 2 202 ? 61.002 6.129 -22.741 1.00 61.19 ? 203 ILE b CD1 1 ? ? +30664 ATOM C C . ILE V 2 202 ? 60.463 5.293 -17.762 1.00 61.18 ? 203 ILE b C 1 ? ? +30665 ATOM O O . ILE V 2 202 ? 61.051 4.458 -17.066 1.00 61.51 ? 203 ILE b O 1 ? ? +30666 ATOM N N . ALA V 2 203 ? 60.122 6.511 -17.319 1.00 61.37 ? 204 ALA b N 1 ? ? +30667 ATOM C CA . ALA V 2 203 ? 60.558 7.002 -16.022 1.00 62.06 ? 204 ALA b CA 1 ? ? +30668 ATOM C CB . ALA V 2 203 ? 60.272 8.486 -15.898 1.00 62.29 ? 204 ALA b CB 1 ? ? +30669 ATOM C C . ALA V 2 203 ? 59.918 6.252 -14.857 1.00 61.63 ? 204 ALA b C 1 ? ? +30670 ATOM O O . ALA V 2 203 ? 60.618 5.868 -13.919 1.00 62.19 ? 204 ALA b O 1 ? ? +30671 ATOM N N . ALA V 2 204 ? 58.595 6.057 -14.927 1.00 60.65 ? 205 ALA b N 1 ? ? +30672 ATOM C CA . ALA V 2 204 ? 57.878 5.355 -13.878 1.00 60.23 ? 205 ALA b CA 1 ? ? +30673 ATOM C CB . ALA V 2 204 ? 56.348 5.400 -14.100 1.00 59.16 ? 205 ALA b CB 1 ? ? +30674 ATOM C C . ALA V 2 204 ? 58.332 3.904 -13.796 1.00 60.27 ? 205 ALA b C 1 ? ? +30675 ATOM O O . ALA V 2 204 ? 58.364 3.329 -12.712 1.00 60.39 ? 205 ALA b O 1 ? ? +30676 ATOM N N . GLY V 2 205 ? 58.629 3.306 -14.953 1.00 60.22 ? 206 GLY b N 1 ? ? +30677 ATOM C CA . GLY V 2 205 ? 59.174 1.958 -14.994 1.00 60.37 ? 206 GLY b CA 1 ? ? +30678 ATOM C C . GLY V 2 205 ? 60.495 1.825 -14.226 1.00 61.44 ? 206 GLY b C 1 ? ? +30679 ATOM O O . GLY V 2 205 ? 60.668 0.889 -13.448 1.00 61.48 ? 206 GLY b O 1 ? ? +30680 ATOM N N . ILE V 2 206 ? 61.419 2.767 -14.434 1.00 62.38 ? 207 ILE b N 1 ? ? +30681 ATOM C CA . ILE V 2 206 ? 62.701 2.722 -13.743 1.00 63.59 ? 207 ILE b CA 1 ? ? +30682 ATOM C CB . ILE V 2 206 ? 63.650 3.811 -14.282 1.00 64.46 ? 207 ILE b CB 1 ? ? +30683 ATOM C CG1 . ILE V 2 206 ? 64.105 3.422 -15.691 1.00 64.53 ? 207 ILE b CG1 1 ? ? +30684 ATOM C CG2 . ILE V 2 206 ? 64.840 4.092 -13.335 1.00 65.58 ? 207 ILE b CG2 1 ? ? +30685 ATOM C CD1 . ILE V 2 206 ? 64.523 4.570 -16.507 1.00 65.09 ? 207 ILE b CD1 1 ? ? +30686 ATOM C C . ILE V 2 206 ? 62.489 2.852 -12.239 1.00 63.83 ? 207 ILE b C 1 ? ? +30687 ATOM O O . ILE V 2 206 ? 63.121 2.143 -11.462 1.00 64.28 ? 207 ILE b O 1 ? ? +30688 ATOM N N . VAL V 2 207 ? 61.596 3.767 -11.847 1.00 63.56 ? 208 VAL b N 1 ? ? +30689 ATOM C CA . VAL V 2 207 ? 61.258 3.954 -10.445 1.00 63.65 ? 208 VAL b CA 1 ? ? +30690 ATOM C CB . VAL V 2 207 ? 60.350 5.190 -10.245 1.00 63.34 ? 208 VAL b CB 1 ? ? +30691 ATOM C CG1 . VAL V 2 207 ? 59.647 5.164 -8.894 1.00 63.11 ? 208 VAL b CG1 1 ? ? +30692 ATOM C CG2 . VAL V 2 207 ? 61.155 6.480 -10.419 1.00 64.20 ? 208 VAL b CG2 1 ? ? +30693 ATOM C C . VAL V 2 207 ? 60.647 2.665 -9.903 1.00 62.98 ? 208 VAL b C 1 ? ? +30694 ATOM O O . VAL V 2 207 ? 60.910 2.275 -8.774 1.00 63.43 ? 208 VAL b O 1 ? ? +30695 ATOM N N . GLY V 2 208 ? 59.872 1.977 -10.733 1.00 62.09 ? 209 GLY b N 1 ? ? +30696 ATOM C CA . GLY V 2 208 ? 59.282 0.706 -10.341 1.00 61.48 ? 209 GLY b CA 1 ? ? +30697 ATOM C C . GLY V 2 208 ? 60.324 -0.379 -10.084 1.00 61.93 ? 209 GLY b C 1 ? ? +30698 ATOM O O . GLY V 2 208 ? 60.194 -1.167 -9.147 1.00 61.85 ? 209 GLY b O 1 ? ? +30699 ATOM N N . ILE V 2 209 ? 61.353 -0.413 -10.938 1.00 62.39 ? 210 ILE b N 1 ? ? +30700 ATOM C CA . ILE V 2 209 ? 62.446 -1.355 -10.767 1.00 62.89 ? 210 ILE b CA 1 ? ? +30701 ATOM C CB . ILE V 2 209 ? 63.400 -1.274 -11.980 1.00 63.40 ? 210 ILE b CB 1 ? ? +30702 ATOM C CG1 . ILE V 2 209 ? 62.708 -1.811 -13.236 1.00 62.53 ? 210 ILE b CG1 1 ? ? +30703 ATOM C CG2 . ILE V 2 209 ? 64.760 -2.014 -11.733 1.00 64.34 ? 210 ILE b CG2 1 ? ? +30704 ATOM C CD1 . ILE V 2 209 ? 63.400 -1.417 -14.540 1.00 62.90 ? 210 ILE b CD1 1 ? ? +30705 ATOM C C . ILE V 2 209 ? 63.104 -1.072 -9.420 1.00 63.61 ? 210 ILE b C 1 ? ? +30706 ATOM O O . ILE V 2 209 ? 63.263 -1.978 -8.606 1.00 63.72 ? 210 ILE b O 1 ? ? +30707 ATOM N N . ILE V 2 210 ? 63.440 0.199 -9.176 1.00 64.10 ? 211 ILE b N 1 ? ? +30708 ATOM C CA . ILE V 2 210 ? 64.207 0.575 -8.001 1.00 65.02 ? 211 ILE b CA 1 ? ? +30709 ATOM C CB . ILE V 2 210 ? 64.657 2.056 -8.087 1.00 65.76 ? 211 ILE b CB 1 ? ? +30710 ATOM C CG1 . ILE V 2 210 ? 65.660 2.261 -9.245 1.00 66.40 ? 211 ILE b CG1 1 ? ? +30711 ATOM C CG2 . ILE V 2 210 ? 65.279 2.545 -6.764 1.00 66.68 ? 211 ILE b CG2 1 ? ? +30712 ATOM C CD1 . ILE V 2 210 ? 66.090 3.759 -9.497 1.00 67.06 ? 211 ILE b CD1 1 ? ? +30713 ATOM C C . ILE V 2 210 ? 63.407 0.274 -6.737 1.00 64.51 ? 211 ILE b C 1 ? ? +30714 ATOM O O . ILE V 2 210 ? 63.875 -0.434 -5.846 1.00 64.86 ? 211 ILE b O 1 ? ? +30715 ATOM N N . ALA V 2 211 ? 62.179 0.795 -6.693 1.00 63.60 ? 212 ALA b N 1 ? ? +30716 ATOM C CA . ALA V 2 211 ? 61.251 0.497 -5.611 1.00 63.02 ? 212 ALA b CA 1 ? ? +30717 ATOM C CB . ALA V 2 211 ? 59.935 1.192 -5.863 1.00 62.15 ? 212 ALA b CB 1 ? ? +30718 ATOM C C . ALA V 2 211 ? 61.039 -1.002 -5.419 1.00 62.54 ? 212 ALA b C 1 ? ? +30719 ATOM O O . ALA V 2 211 ? 61.054 -1.492 -4.294 1.00 62.71 ? 212 ALA b O 1 ? ? +30720 ATOM N N . GLY V 2 212 ? 60.861 -1.723 -6.526 1.00 62.03 ? 213 GLY b N 1 ? ? +30721 ATOM C CA . GLY V 2 212 ? 60.826 -3.176 -6.497 1.00 61.82 ? 213 GLY b CA 1 ? ? +30722 ATOM C C . GLY V 2 212 ? 61.997 -3.787 -5.732 1.00 62.83 ? 213 GLY b C 1 ? ? +30723 ATOM O O . GLY V 2 212 ? 61.786 -4.477 -4.736 1.00 62.82 ? 213 GLY b O 1 ? ? +30724 ATOM N N . LEU V 2 213 ? 63.225 -3.505 -6.198 1.00 63.73 ? 214 LEU b N 1 ? ? +30725 ATOM C CA . LEU V 2 213 ? 64.422 -4.005 -5.552 1.00 64.81 ? 214 LEU b CA 1 ? ? +30726 ATOM C CB . LEU V 2 213 ? 65.705 -3.430 -6.212 1.00 65.85 ? 214 LEU b CB 1 ? ? +30727 ATOM C CG . LEU V 2 213 ? 66.005 -3.835 -7.661 1.00 65.76 ? 214 LEU b CG 1 ? ? +30728 ATOM C CD1 . LEU V 2 213 ? 67.357 -3.290 -8.111 1.00 66.83 ? 214 LEU b CD1 1 ? ? +30729 ATOM C CD2 . LEU V 2 213 ? 65.986 -5.364 -7.863 1.00 65.51 ? 214 LEU b CD2 1 ? ? +30730 ATOM C C . LEU V 2 213 ? 64.414 -3.646 -4.068 1.00 65.23 ? 214 LEU b C 1 ? ? +30731 ATOM O O . LEU V 2 213 ? 64.754 -4.482 -3.228 1.00 65.67 ? 214 LEU b O 1 ? ? +30732 ATOM N N . PHE V 2 214 ? 64.038 -2.399 -3.745 1.00 65.13 ? 215 PHE b N 1 ? ? +30733 ATOM C CA . PHE V 2 214 ? 63.994 -1.958 -2.359 1.00 65.49 ? 215 PHE b CA 1 ? ? +30734 ATOM C CB . PHE V 2 214 ? 63.562 -0.479 -2.230 1.00 65.44 ? 215 PHE b CB 1 ? ? +30735 ATOM C CG . PHE V 2 214 ? 63.210 -0.069 -0.813 1.00 65.64 ? 215 PHE b CG 1 ? ? +30736 ATOM C CD1 . PHE V 2 214 ? 64.194 0.315 0.081 1.00 66.74 ? 215 PHE b CD1 1 ? ? +30737 ATOM C CD2 . PHE V 2 214 ? 61.896 -0.120 -0.362 1.00 64.78 ? 215 PHE b CD2 1 ? ? +30738 ATOM C CE1 . PHE V 2 214 ? 63.862 0.673 1.384 1.00 66.94 ? 215 PHE b CE1 1 ? ? +30739 ATOM C CE2 . PHE V 2 214 ? 61.577 0.228 0.940 1.00 64.96 ? 215 PHE b CE2 1 ? ? +30740 ATOM C CZ . PHE V 2 214 ? 62.553 0.611 1.803 1.00 66.06 ? 215 PHE b CZ 1 ? ? +30741 ATOM C C . PHE V 2 214 ? 63.071 -2.862 -1.542 1.00 64.86 ? 215 PHE b C 1 ? ? +30742 ATOM O O . PHE V 2 214 ? 63.463 -3.301 -0.458 1.00 65.41 ? 215 PHE b O 1 ? ? +30743 ATOM N N . HIS V 2 215 ? 61.862 -3.125 -2.073 1.00 63.68 ? 216 HIS b N 1 ? ? +30744 ATOM C CA . HIS V 2 215 ? 60.876 -3.951 -1.395 1.00 63.03 ? 216 HIS b CA 1 ? ? +30745 ATOM C CB . HIS V 2 215 ? 59.474 -3.775 -2.047 1.00 61.83 ? 216 HIS b CB 1 ? ? +30746 ATOM C CG . HIS V 2 215 ? 58.766 -2.603 -1.458 1.00 61.59 ? 216 HIS b CG 1 ? ? +30747 ATOM N ND1 . HIS V 2 215 ? 58.389 -2.609 -0.139 1.00 61.69 ? 216 HIS b ND1 1 ? ? +30748 ATOM C CE1 . HIS V 2 215 ? 57.893 -1.418 0.098 1.00 61.62 ? 216 HIS b CE1 1 ? ? +30749 ATOM N NE2 . HIS V 2 215 ? 57.922 -0.663 -1.001 1.00 61.44 ? 216 HIS b NE2 1 ? ? +30750 ATOM C CD2 . HIS V 2 215 ? 58.483 -1.408 -1.996 1.00 61.41 ? 216 HIS b CD2 1 ? ? +30751 ATOM C C . HIS V 2 215 ? 61.200 -5.440 -1.337 1.00 63.14 ? 216 HIS b C 1 ? ? +30752 ATOM O O . HIS V 2 215 ? 60.580 -6.184 -0.579 1.00 62.80 ? 216 HIS b O 1 ? ? +30753 ATOM N N . ILE V 2 216 ? 62.144 -5.887 -2.164 1.00 63.66 ? 217 ILE b N 1 ? ? +30754 ATOM C CA . ILE V 2 216 ? 62.619 -7.254 -2.055 1.00 63.97 ? 217 ILE b CA 1 ? ? +30755 ATOM C CB . ILE V 2 216 ? 63.140 -7.774 -3.405 1.00 63.86 ? 217 ILE b CB 1 ? ? +30756 ATOM C CG1 . ILE V 2 216 ? 61.961 -7.886 -4.389 1.00 62.70 ? 217 ILE b CG1 1 ? ? +30757 ATOM C CG2 . ILE V 2 216 ? 63.856 -9.108 -3.242 1.00 64.29 ? 217 ILE b CG2 1 ? ? +30758 ATOM C CD1 . ILE V 2 216 ? 62.337 -8.234 -5.801 1.00 62.55 ? 217 ILE b CD1 1 ? ? +30759 ATOM C C . ILE V 2 216 ? 63.639 -7.376 -0.929 1.00 65.19 ? 217 ILE b C 1 ? ? +30760 ATOM O O . ILE V 2 216 ? 63.599 -8.354 -0.188 1.00 65.26 ? 217 ILE b O 1 ? ? +30761 ATOM N N . LEU V 2 217 ? 64.509 -6.365 -0.791 1.00 66.22 ? 218 LEU b N 1 ? ? +30762 ATOM C CA . LEU V 2 217 ? 65.674 -6.447 0.079 1.00 67.60 ? 218 LEU b CA 1 ? ? +30763 ATOM C CB . LEU V 2 217 ? 66.837 -5.669 -0.556 1.00 68.49 ? 218 LEU b CB 1 ? ? +30764 ATOM C CG . LEU V 2 217 ? 67.348 -6.149 -1.917 1.00 68.50 ? 218 LEU b CG 1 ? ? +30765 ATOM C CD1 . LEU V 2 217 ? 68.356 -5.140 -2.522 1.00 69.32 ? 218 LEU b CD1 1 ? ? +30766 ATOM C CD2 . LEU V 2 217 ? 68.023 -7.479 -1.816 1.00 68.93 ? 218 LEU b CD2 1 ? ? +30767 ATOM C C . LEU V 2 217 ? 65.462 -5.892 1.488 1.00 68.09 ? 218 LEU b C 1 ? ? +30768 ATOM O O . LEU V 2 217 ? 66.216 -6.246 2.398 1.00 69.16 ? 218 LEU b O 1 ? ? +30769 ATOM N N . VAL V 2 218 ? 64.488 -4.982 1.656 1.00 67.55 ? 219 VAL b N 1 ? ? +30770 ATOM C CA . VAL V 2 218 ? 64.251 -4.337 2.938 1.00 67.90 ? 219 VAL b CA 1 ? ? +30771 ATOM C CB . VAL V 2 218 ? 64.335 -2.801 2.823 1.00 68.18 ? 219 VAL b CB 1 ? ? +30772 ATOM C CG1 . VAL V 2 218 ? 64.183 -2.135 4.190 1.00 68.62 ? 219 VAL b CG1 1 ? ? +30773 ATOM C CG2 . VAL V 2 218 ? 65.646 -2.363 2.172 1.00 69.13 ? 219 VAL b CG2 1 ? ? +30774 ATOM C C . VAL V 2 218 ? 62.914 -4.775 3.539 1.00 67.07 ? 219 VAL b C 1 ? ? +30775 ATOM O O . VAL V 2 218 ? 61.847 -4.531 2.979 1.00 66.10 ? 219 VAL b O 1 ? ? +30776 ATOM N N . ARG V 2 219 ? 62.995 -5.413 4.710 1.00 67.48 ? 220 ARG b N 1 ? ? +30777 ATOM C CA . ARG V 2 219 ? 61.831 -5.850 5.449 1.00 66.84 ? 220 ARG b CA 1 ? ? +30778 ATOM C CB . ARG V 2 219 ? 62.257 -6.765 6.602 1.00 67.44 ? 220 ARG b CB 1 ? ? +30779 ATOM C CG . ARG V 2 219 ? 62.977 -8.038 6.149 1.00 67.67 ? 220 ARG b CG 1 ? ? +30780 ATOM C CD . ARG V 2 219 ? 62.184 -8.826 5.129 1.00 66.67 ? 220 ARG b CD 1 ? ? +30781 ATOM N NE . ARG V 2 219 ? 60.850 -9.161 5.613 1.00 65.79 ? 220 ARG b NE 1 ? ? +30782 ATOM C CZ . ARG V 2 219 ? 59.999 -9.949 4.981 1.00 64.88 ? 220 ARG b CZ 1 ? ? +30783 ATOM N NH1 . ARG V 2 219 ? 60.247 -10.401 3.764 1.00 64.59 ? 220 ARG b NH1 1 ? ? +30784 ATOM N NH2 . ARG V 2 219 ? 58.873 -10.304 5.591 1.00 64.29 ? 220 ARG b NH2 1 ? ? +30785 ATOM C C . ARG V 2 219 ? 61.061 -4.649 5.987 1.00 66.71 ? 220 ARG b C 1 ? ? +30786 ATOM O O . ARG V 2 219 ? 61.663 -3.624 6.306 1.00 67.42 ? 220 ARG b O 1 ? ? +30787 ATOM N N . PRO V 2 220 ? 59.713 -4.750 6.110 1.00 65.80 ? 221 PRO b N 1 ? ? +30788 ATOM C CA . PRO V 2 220 ? 58.898 -3.693 6.697 1.00 65.68 ? 221 PRO b CA 1 ? ? +30789 ATOM C CB . PRO V 2 220 ? 57.469 -4.277 6.648 1.00 64.56 ? 221 PRO b CB 1 ? ? +30790 ATOM C CG . PRO V 2 220 ? 57.520 -5.345 5.648 1.00 64.09 ? 221 PRO b CG 1 ? ? +30791 ATOM C CD . PRO V 2 220 ? 58.901 -5.904 5.701 1.00 64.97 ? 221 PRO b CD 1 ? ? +30792 ATOM C C . PRO V 2 220 ? 59.274 -3.354 8.133 1.00 66.69 ? 221 PRO b C 1 ? ? +30793 ATOM O O . PRO V 2 220 ? 59.630 -4.236 8.912 1.00 67.13 ? 221 PRO b O 1 ? ? +30794 ATOM N N . PRO V 2 221 ? 59.175 -2.071 8.539 1.00 67.21 ? 222 PRO b N 1 ? ? +30795 ATOM C CA . PRO V 2 221 ? 59.334 -1.717 9.948 1.00 68.09 ? 222 PRO b CA 1 ? ? +30796 ATOM C CB . PRO V 2 221 ? 59.150 -0.198 9.969 1.00 68.16 ? 222 PRO b CB 1 ? ? +30797 ATOM C CG . PRO V 2 221 ? 59.237 0.245 8.535 1.00 67.71 ? 222 PRO b CG 1 ? ? +30798 ATOM C CD . PRO V 2 221 ? 58.886 -0.915 7.674 1.00 66.87 ? 222 PRO b CD 1 ? ? +30799 ATOM C C . PRO V 2 221 ? 58.284 -2.426 10.798 1.00 67.90 ? 222 PRO b C 1 ? ? +30800 ATOM O O . PRO V 2 221 ? 57.132 -2.575 10.373 1.00 66.84 ? 222 PRO b O 1 ? ? +30801 ATOM N N . GLN V 2 222 ? 58.699 -2.869 11.990 1.00 69.00 ? 223 GLN b N 1 ? ? +30802 ATOM C CA . GLN V 2 222 ? 57.797 -3.489 12.945 1.00 69.15 ? 223 GLN b CA 1 ? ? +30803 ATOM C CB . GLN V 2 222 ? 58.503 -3.658 14.293 1.00 70.38 ? 223 GLN b CB 1 ? ? +30804 ATOM C CG . GLN V 2 222 ? 57.586 -3.977 15.487 1.00 70.33 ? 223 GLN b CG 1 ? ? +30805 ATOM C CD . GLN V 2 222 ? 57.376 -5.445 15.673 1.00 70.23 ? 223 GLN b CD 1 ? ? +30806 ATOM O OE1 . GLN V 2 222 ? 58.227 -6.137 16.264 1.00 70.97 ? 223 GLN b OE1 1 ? ? +30807 ATOM N NE2 . GLN V 2 222 ? 56.233 -5.944 15.195 1.00 69.30 ? 223 GLN b NE2 1 ? ? +30808 ATOM C C . GLN V 2 222 ? 56.526 -2.662 13.124 1.00 68.81 ? 223 GLN b C 1 ? ? +30809 ATOM O O . GLN V 2 222 ? 55.420 -3.200 13.117 1.00 68.03 ? 223 GLN b O 1 ? ? +30810 ATOM N N . ARG V 2 223 ? 56.699 -1.345 13.276 1.00 69.50 ? 224 ARG b N 1 ? ? +30811 ATOM C CA . ARG V 2 223 ? 55.579 -0.474 13.578 1.00 69.26 ? 224 ARG b CA 1 ? ? +30812 ATOM C CB . ARG V 2 223 ? 56.066 0.910 13.976 1.00 70.34 ? 224 ARG b CB 1 ? ? +30813 ATOM C CG . ARG V 2 223 ? 56.830 0.826 15.252 1.00 71.89 ? 224 ARG b CG 1 ? ? +30814 ATOM C CD . ARG V 2 223 ? 56.982 2.159 15.909 1.00 73.02 ? 224 ARG b CD 1 ? ? +30815 ATOM N NE . ARG V 2 223 ? 55.844 2.465 16.762 1.00 73.16 ? 224 ARG b NE 1 ? ? +30816 ATOM C CZ . ARG V 2 223 ? 55.912 3.051 17.951 1.00 74.30 ? 224 ARG b CZ 1 ? ? +30817 ATOM N NH1 . ARG V 2 223 ? 57.065 3.352 18.520 1.00 75.04 ? 224 ARG b NH1 1 ? ? +30818 ATOM N NH2 . ARG V 2 223 ? 54.784 3.338 18.589 1.00 74.75 ? 224 ARG b NH2 1 ? ? +30819 ATOM C C . ARG V 2 223 ? 54.576 -0.392 12.437 1.00 68.01 ? 224 ARG b C 1 ? ? +30820 ATOM O O . ARG V 2 223 ? 53.384 -0.304 12.708 1.00 67.44 ? 224 ARG b O 1 ? ? +30821 ATOM N N . LEU V 2 224 ? 55.056 -0.439 11.187 1.00 67.66 ? 225 LEU b N 1 ? ? +30822 ATOM C CA . LEU V 2 224 ? 54.176 -0.444 10.032 1.00 66.65 ? 225 LEU b CA 1 ? ? +30823 ATOM C CB . LEU V 2 224 ? 54.916 -0.002 8.767 1.00 66.64 ? 225 LEU b CB 1 ? ? +30824 ATOM C CG . LEU V 2 224 ? 55.467 1.433 8.730 1.00 67.19 ? 225 LEU b CG 1 ? ? +30825 ATOM C CD1 . LEU V 2 224 ? 55.728 1.873 7.313 1.00 66.88 ? 225 LEU b CD1 1 ? ? +30826 ATOM C CD2 . LEU V 2 224 ? 54.549 2.441 9.355 1.00 67.04 ? 225 LEU b CD2 1 ? ? +30827 ATOM C C . LEU V 2 224 ? 53.551 -1.822 9.817 1.00 66.10 ? 225 LEU b C 1 ? ? +30828 ATOM O O . LEU V 2 224 ? 52.388 -1.917 9.449 1.00 65.35 ? 225 LEU b O 1 ? ? +30829 ATOM N N . TYR V 2 225 ? 54.321 -2.889 10.047 1.00 66.75 ? 226 TYR b N 1 ? ? +30830 ATOM C CA . TYR V 2 225 ? 53.822 -4.252 9.938 1.00 66.40 ? 226 TYR b CA 1 ? ? +30831 ATOM C CB . TYR V 2 225 ? 54.940 -5.276 10.274 1.00 66.87 ? 226 TYR b CB 1 ? ? +30832 ATOM C CG . TYR V 2 225 ? 54.581 -6.727 10.011 1.00 66.06 ? 226 TYR b CG 1 ? ? +30833 ATOM C CD1 . TYR V 2 225 ? 53.750 -7.429 10.874 1.00 65.61 ? 226 TYR b CD1 1 ? ? +30834 ATOM C CD2 . TYR V 2 225 ? 55.072 -7.394 8.896 1.00 65.71 ? 226 TYR b CD2 1 ? ? +30835 ATOM C CE1 . TYR V 2 225 ? 53.418 -8.756 10.635 1.00 65.03 ? 226 TYR b CE1 1 ? ? +30836 ATOM C CE2 . TYR V 2 225 ? 54.738 -8.717 8.642 1.00 65.18 ? 226 TYR b CE2 1 ? ? +30837 ATOM C CZ . TYR V 2 225 ? 53.917 -9.397 9.519 1.00 64.86 ? 226 TYR b CZ 1 ? ? +30838 ATOM O OH . TYR V 2 225 ? 53.593 -10.705 9.260 1.00 64.38 ? 226 TYR b OH 1 ? ? +30839 ATOM C C . TYR V 2 225 ? 52.616 -4.451 10.850 1.00 66.74 ? 226 TYR b C 1 ? ? +30840 ATOM O O . TYR V 2 225 ? 51.598 -5.002 10.433 1.00 65.81 ? 226 TYR b O 1 ? ? +30841 ATOM N N . LYS V 2 226 ? 52.737 -3.979 12.094 1.00 68.19 ? 227 LYS b N 1 ? ? +30842 ATOM C CA . LYS V 2 226 ? 51.673 -4.132 13.067 1.00 68.97 ? 227 LYS b CA 1 ? ? +30843 ATOM C CB . LYS V 2 226 ? 52.213 -3.831 14.456 1.00 71.21 ? 227 LYS b CB 1 ? ? +30844 ATOM C CG . LYS V 2 226 ? 51.587 -4.708 15.543 1.00 72.57 ? 227 LYS b CG 1 ? ? +30845 ATOM C CD . LYS V 2 226 ? 52.324 -4.537 16.904 1.00 74.74 ? 227 LYS b CD 1 ? ? +30846 ATOM C CE . LYS V 2 226 ? 51.938 -3.223 17.588 1.00 75.55 ? 227 LYS b CE 1 ? ? +30847 ATOM N NZ . LYS V 2 226 ? 52.959 -2.801 18.601 1.00 76.80 ? 227 LYS b NZ 1 ? ? +30848 ATOM C C . LYS V 2 226 ? 50.476 -3.237 12.746 1.00 68.00 ? 227 LYS b C 1 ? ? +30849 ATOM O O . LYS V 2 226 ? 49.338 -3.689 12.782 1.00 67.61 ? 227 LYS b O 1 ? ? +30850 ATOM N N . ALA V 2 227 ? 50.741 -1.969 12.423 1.00 67.94 ? 228 ALA b N 1 ? ? +30851 ATOM C CA . ALA V 2 227 ? 49.692 -0.994 12.177 1.00 67.28 ? 228 ALA b CA 1 ? ? +30852 ATOM C CB . ALA V 2 227 ? 50.290 0.388 12.047 1.00 67.71 ? 228 ALA b CB 1 ? ? +30853 ATOM C C . ALA V 2 227 ? 48.847 -1.302 10.942 1.00 66.37 ? 228 ALA b C 1 ? ? +30854 ATOM O O . ALA V 2 227 ? 47.648 -1.038 10.937 1.00 65.70 ? 228 ALA b O 1 ? ? +30855 ATOM N N . LEU V 2 228 ? 49.472 -1.858 9.902 1.00 66.40 ? 229 LEU b N 1 ? ? +30856 ATOM C CA . LEU V 2 228 ? 48.763 -2.206 8.683 1.00 65.78 ? 229 LEU b CA 1 ? ? +30857 ATOM C CB . LEU V 2 228 ? 49.633 -1.771 7.496 1.00 66.08 ? 229 LEU b CB 1 ? ? +30858 ATOM C CG . LEU V 2 228 ? 49.726 -0.261 7.312 1.00 66.47 ? 229 LEU b CG 1 ? ? +30859 ATOM C CD1 . LEU V 2 228 ? 50.599 0.107 6.139 1.00 66.57 ? 229 LEU b CD1 1 ? ? +30860 ATOM C CD2 . LEU V 2 228 ? 48.331 0.321 7.125 1.00 65.90 ? 229 LEU b CD2 1 ? ? +30861 ATOM C C . LEU V 2 228 ? 48.381 -3.683 8.560 1.00 65.67 ? 229 LEU b C 1 ? ? +30862 ATOM O O . LEU V 2 228 ? 47.747 -4.081 7.579 1.00 64.79 ? 229 LEU b O 1 ? ? +30863 ATOM N N . ARG V 2 229 ? 48.755 -4.493 9.564 1.00 66.52 ? 230 ARG b N 1 ? ? +30864 ATOM C CA . ARG V 2 229 ? 48.399 -5.906 9.590 1.00 66.33 ? 230 ARG b CA 1 ? ? +30865 ATOM C CB . ARG V 2 229 ? 46.861 -6.105 9.665 1.00 67.29 ? 230 ARG b CB 1 ? ? +30866 ATOM C CG . ARG V 2 229 ? 46.311 -6.241 11.072 1.00 69.73 ? 230 ARG b CG 1 ? ? +30867 ATOM C CD . ARG V 2 229 ? 46.296 -4.949 11.792 1.00 72.48 ? 230 ARG b CD 1 ? ? +30868 ATOM N NE . ARG V 2 229 ? 45.505 -5.021 13.016 1.00 75.59 ? 230 ARG b NE 1 ? ? +30869 ATOM C CZ . ARG V 2 229 ? 45.214 -3.972 13.778 1.00 79.04 ? 230 ARG b CZ 1 ? ? +30870 ATOM N NH1 . ARG V 2 229 ? 45.977 -2.884 13.782 1.00 81.03 ? 230 ARG b NH1 1 ? ? +30871 ATOM N NH2 . ARG V 2 229 ? 44.137 -4.018 14.563 1.00 79.23 ? 230 ARG b NH2 1 ? ? +30872 ATOM C C . ARG V 2 229 ? 48.961 -6.626 8.366 1.00 64.16 ? 230 ARG b C 1 ? ? +30873 ATOM O O . ARG V 2 229 ? 48.231 -7.289 7.637 1.00 62.88 ? 230 ARG b O 1 ? ? +30874 ATOM N N . MET V 2 230 ? 50.278 -6.505 8.170 1.00 63.37 ? 231 MET b N 1 ? ? +30875 ATOM C CA . MET V 2 230 ? 50.921 -7.027 6.977 1.00 62.24 ? 231 MET b CA 1 ? ? +30876 ATOM C CB . MET V 2 230 ? 52.291 -6.392 6.829 1.00 62.89 ? 231 MET b CB 1 ? ? +30877 ATOM C CG . MET V 2 230 ? 52.241 -4.959 6.391 1.00 62.66 ? 231 MET b CG 1 ? ? +30878 ATOM S SD . MET V 2 230 ? 53.935 -4.325 6.066 1.00 63.36 ? 231 MET b SD 1 ? ? +30879 ATOM C CE . MET V 2 230 ? 53.678 -2.665 6.217 1.00 63.39 ? 231 MET b CE 1 ? ? +30880 ATOM C C . MET V 2 230 ? 51.030 -8.551 7.030 1.00 61.51 ? 231 MET b C 1 ? ? +30881 ATOM O O . MET V 2 230 ? 51.495 -9.177 6.080 1.00 61.27 ? 231 MET b O 1 ? ? +30882 ATOM N N . GLY V 2 231 ? 50.619 -9.144 8.155 1.00 61.11 ? 232 GLY b N 1 ? ? +30883 ATOM C CA . GLY V 2 231 ? 50.460 -10.584 8.245 1.00 60.68 ? 232 GLY b CA 1 ? ? +30884 ATOM C C . GLY V 2 231 ? 49.164 -11.116 7.637 1.00 59.34 ? 232 GLY b C 1 ? ? +30885 ATOM O O . GLY V 2 231 ? 49.053 -12.316 7.423 1.00 59.16 ? 232 GLY b O 1 ? ? +30886 ATOM N N . ASN V 2 232 ? 48.219 -10.208 7.350 1.00 58.47 ? 233 ASN b N 1 ? ? +30887 ATOM C CA . ASN V 2 232 ? 46.852 -10.553 6.959 1.00 57.30 ? 233 ASN b CA 1 ? ? +30888 ATOM C CB . ASN V 2 232 ? 45.883 -9.855 7.886 1.00 57.12 ? 233 ASN b CB 1 ? ? +30889 ATOM C CG . ASN V 2 232 ? 44.411 -10.052 7.573 1.00 56.23 ? 233 ASN b CG 1 ? ? +30890 ATOM O OD1 . ASN V 2 232 ? 43.973 -10.615 6.563 1.00 55.54 ? 233 ASN b OD1 1 ? ? +30891 ATOM N ND2 . ASN V 2 232 ? 43.601 -9.536 8.443 1.00 56.21 ? 233 ASN b ND2 1 ? ? +30892 ATOM C C . ASN V 2 232 ? 46.541 -10.176 5.512 1.00 56.44 ? 233 ASN b C 1 ? ? +30893 ATOM O O . ASN V 2 232 ? 46.469 -9.005 5.168 1.00 56.23 ? 233 ASN b O 1 ? ? +30894 ATOM N N . ILE V 2 233 ? 46.328 -11.179 4.664 1.00 55.91 ? 234 ILE b N 1 ? ? +30895 ATOM C CA . ILE V 2 233 ? 46.175 -10.936 3.243 1.00 55.33 ? 234 ILE b CA 1 ? ? +30896 ATOM C CB . ILE V 2 233 ? 45.956 -12.276 2.512 1.00 55.01 ? 234 ILE b CB 1 ? ? +30897 ATOM C CG1 . ILE V 2 233 ? 46.063 -12.088 0.981 1.00 54.62 ? 234 ILE b CG1 1 ? ? +30898 ATOM C CG2 . ILE V 2 233 ? 44.628 -12.939 2.915 1.00 54.49 ? 234 ILE b CG2 1 ? ? +30899 ATOM C CD1 . ILE V 2 233 ? 45.965 -13.297 0.206 1.00 54.31 ? 234 ILE b CD1 1 ? ? +30900 ATOM C C . ILE V 2 233 ? 45.069 -9.933 2.921 1.00 54.62 ? 234 ILE b C 1 ? ? +30901 ATOM O O . ILE V 2 233 ? 45.090 -9.311 1.859 1.00 54.32 ? 234 ILE b O 1 ? ? +30902 ATOM N N . GLU V 2 234 ? 44.097 -9.773 3.833 1.00 54.35 ? 235 GLU b N 1 ? ? +30903 ATOM C CA . GLU V 2 234 ? 42.983 -8.867 3.593 1.00 53.67 ? 235 GLU b CA 1 ? ? +30904 ATOM C CB . GLU V 2 234 ? 41.826 -9.147 4.578 1.00 53.48 ? 235 GLU b CB 1 ? ? +30905 ATOM C CG . GLU V 2 234 ? 40.488 -8.592 4.097 1.00 52.79 ? 235 GLU b CG 1 ? ? +30906 ATOM C CD . GLU V 2 234 ? 39.233 -9.080 4.796 1.00 52.49 ? 235 GLU b CD 1 ? ? +30907 ATOM O OE1 . GLU V 2 234 ? 39.337 -9.872 5.756 1.00 52.81 ? 235 GLU b OE1 1 ? ? +30908 ATOM O OE2 . GLU V 2 234 ? 38.129 -8.676 4.363 1.00 51.98 ? 235 GLU b OE2 1 ? ? +30909 ATOM C C . GLU V 2 234 ? 43.435 -7.405 3.637 1.00 53.86 ? 235 GLU b C 1 ? ? +30910 ATOM O O . GLU V 2 234 ? 42.796 -6.548 3.036 1.00 53.27 ? 235 GLU b O 1 ? ? +30911 ATOM N N . THR V 2 235 ? 44.575 -7.109 4.293 1.00 54.61 ? 236 THR b N 1 ? ? +30912 ATOM C CA . THR V 2 235 ? 45.115 -5.760 4.227 1.00 54.92 ? 236 THR b CA 1 ? ? +30913 ATOM C CB . THR V 2 235 ? 46.291 -5.517 5.142 1.00 55.93 ? 236 THR b CB 1 ? ? +30914 ATOM O OG1 . THR V 2 235 ? 46.333 -4.107 5.421 1.00 56.22 ? 236 THR b OG1 1 ? ? +30915 ATOM C CG2 . THR V 2 235 ? 47.631 -5.995 4.552 1.00 56.40 ? 236 THR b CG2 1 ? ? +30916 ATOM C C . THR V 2 235 ? 45.449 -5.434 2.776 1.00 54.56 ? 236 THR b C 1 ? ? +30917 ATOM O O . THR V 2 235 ? 45.138 -4.341 2.310 1.00 54.42 ? 236 THR b O 1 ? ? +30918 ATOM N N . VAL V 2 236 ? 45.986 -6.414 2.038 1.00 54.39 ? 237 VAL b N 1 ? ? +30919 ATOM C CA . VAL V 2 236 ? 46.340 -6.200 0.644 1.00 54.10 ? 237 VAL b CA 1 ? ? +30920 ATOM C CB . VAL V 2 236 ? 47.172 -7.363 0.052 1.00 54.34 ? 237 VAL b CB 1 ? ? +30921 ATOM C CG1 . VAL V 2 236 ? 47.644 -7.027 -1.356 1.00 54.25 ? 237 VAL b CG1 1 ? ? +30922 ATOM C CG2 . VAL V 2 236 ? 48.365 -7.710 0.949 1.00 55.22 ? 237 VAL b CG2 1 ? ? +30923 ATOM C C . VAL V 2 236 ? 45.087 -5.937 -0.189 1.00 53.08 ? 237 VAL b C 1 ? ? +30924 ATOM O O . VAL V 2 236 ? 45.069 -5.058 -1.042 1.00 52.80 ? 237 VAL b O 1 ? ? +30925 ATOM N N . LEU V 2 237 ? 44.019 -6.684 0.078 1.00 52.49 ? 238 LEU b N 1 ? ? +30926 ATOM C CA . LEU V 2 237 ? 42.771 -6.461 -0.634 1.00 51.64 ? 238 LEU b CA 1 ? ? +30927 ATOM C CB . LEU V 2 237 ? 41.740 -7.479 -0.179 1.00 51.18 ? 238 LEU b CB 1 ? ? +30928 ATOM C CG . LEU V 2 237 ? 40.424 -7.502 -0.930 1.00 50.34 ? 238 LEU b CG 1 ? ? +30929 ATOM C CD1 . LEU V 2 237 ? 40.626 -7.751 -2.421 1.00 49.97 ? 238 LEU b CD1 1 ? ? +30930 ATOM C CD2 . LEU V 2 237 ? 39.522 -8.559 -0.341 1.00 50.07 ? 238 LEU b CD2 1 ? ? +30931 ATOM C C . LEU V 2 237 ? 42.278 -5.028 -0.432 1.00 51.56 ? 238 LEU b C 1 ? ? +30932 ATOM O O . LEU V 2 237 ? 41.922 -4.353 -1.397 1.00 51.15 ? 238 LEU b O 1 ? ? +30933 ATOM N N A SER V 2 238 ? 42.291 -4.567 0.826 0.50 51.98 ? 239 SER b N 1 ? ? +30934 ATOM N N B SER V 2 238 ? 42.307 -4.564 0.825 0.50 52.00 ? 239 SER b N 1 ? ? +30935 ATOM C CA A SER V 2 238 ? 41.838 -3.225 1.159 0.50 52.01 ? 239 SER b CA 1 ? ? +30936 ATOM C CA B SER V 2 238 ? 41.850 -3.227 1.167 0.50 52.04 ? 239 SER b CA 1 ? ? +30937 ATOM C C A SER V 2 238 ? 42.602 -2.169 0.363 0.50 52.27 ? 239 SER b C 1 ? ? +30938 ATOM C C B SER V 2 238 ? 42.600 -2.144 0.398 0.50 52.28 ? 239 SER b C 1 ? ? +30939 ATOM O O A SER V 2 238 ? 41.985 -1.386 -0.363 0.50 51.85 ? 239 SER b O 1 ? ? +30940 ATOM O O B SER V 2 238 ? 41.964 -1.316 -0.255 0.50 51.89 ? 239 SER b O 1 ? ? +30941 ATOM C CB A SER V 2 238 ? 41.987 -2.957 2.656 0.50 52.59 ? 239 SER b CB 1 ? ? +30942 ATOM C CB B SER V 2 238 ? 41.991 -2.966 2.659 0.50 52.61 ? 239 SER b CB 1 ? ? +30943 ATOM O OG A SER V 2 238 ? 41.748 -4.114 3.437 0.50 52.61 ? 239 SER b OG 1 ? ? +30944 ATOM O OG B SER V 2 238 ? 41.474 -1.682 2.970 0.50 52.66 ? 239 SER b OG 1 ? ? +30945 ATOM N N . SER V 2 239 ? 43.944 -2.171 0.488 1.00 52.93 ? 240 SER b N 1 ? ? +30946 ATOM C CA . SER V 2 239 ? 44.786 -1.215 -0.219 1.00 53.28 ? 240 SER b CA 1 ? ? +30947 ATOM C CB . SER V 2 239 ? 46.262 -1.254 0.243 1.00 54.17 ? 240 SER b CB 1 ? ? +30948 ATOM O OG . SER V 2 239 ? 46.882 -2.534 0.281 1.00 54.37 ? 240 SER b OG 1 ? ? +30949 ATOM C C . SER V 2 239 ? 44.688 -1.361 -1.737 1.00 52.81 ? 240 SER b C 1 ? ? +30950 ATOM O O . SER V 2 239 ? 44.659 -0.362 -2.450 1.00 52.74 ? 240 SER b O 1 ? ? +30951 ATOM N N . SER V 2 240 ? 44.597 -2.598 -2.238 1.00 52.54 ? 241 SER b N 1 ? ? +30952 ATOM C CA . SER V 2 240 ? 44.570 -2.818 -3.675 1.00 52.21 ? 241 SER b CA 1 ? ? +30953 ATOM C CB . SER V 2 240 ? 44.740 -4.297 -4.012 1.00 52.10 ? 241 SER b CB 1 ? ? +30954 ATOM O OG . SER V 2 240 ? 46.092 -4.715 -3.821 1.00 52.91 ? 241 SER b OG 1 ? ? +30955 ATOM C C . SER V 2 240 ? 43.297 -2.254 -4.298 1.00 51.54 ? 241 SER b C 1 ? ? +30956 ATOM O O . SER V 2 240 ? 43.361 -1.600 -5.340 1.00 51.42 ? 241 SER b O 1 ? ? +30957 ATOM N N . ILE V 2 241 ? 42.151 -2.506 -3.641 1.00 51.14 ? 242 ILE b N 1 ? ? +30958 ATOM C CA . ILE V 2 241 ? 40.877 -1.942 -4.062 1.00 50.53 ? 242 ILE b CA 1 ? ? +30959 ATOM C CB . ILE V 2 241 ? 39.713 -2.399 -3.141 1.00 50.18 ? 242 ILE b CB 1 ? ? +30960 ATOM C CG1 . ILE V 2 241 ? 39.359 -3.852 -3.405 1.00 49.76 ? 242 ILE b CG1 1 ? ? +30961 ATOM C CG2 . ILE V 2 241 ? 38.472 -1.487 -3.296 1.00 49.75 ? 242 ILE b CG2 1 ? ? +30962 ATOM C CD1 . ILE V 2 241 ? 38.382 -4.490 -2.375 1.00 49.56 ? 242 ILE b CD1 1 ? ? +30963 ATOM C C . ILE V 2 241 ? 40.966 -0.420 -4.112 1.00 50.82 ? 242 ILE b C 1 ? ? +30964 ATOM O O . ILE V 2 241 ? 40.480 0.192 -5.056 1.00 50.49 ? 242 ILE b O 1 ? ? +30965 ATOM N N . ALA V 2 242 ? 41.573 0.182 -3.087 1.00 51.49 ? 243 ALA b N 1 ? ? +30966 ATOM C CA . ALA V 2 242 ? 41.743 1.625 -3.048 1.00 51.92 ? 243 ALA b CA 1 ? ? +30967 ATOM C CB . ALA V 2 242 ? 42.407 2.040 -1.752 1.00 52.67 ? 243 ALA b CB 1 ? ? +30968 ATOM C C . ALA V 2 242 ? 42.537 2.173 -4.235 1.00 52.16 ? 243 ALA b C 1 ? ? +30969 ATOM O O . ALA V 2 242 ? 42.171 3.203 -4.799 1.00 52.11 ? 243 ALA b O 1 ? ? +30970 ATOM N N . ALA V 2 243 ? 43.616 1.482 -4.610 1.00 52.49 ? 244 ALA b N 1 ? ? +30971 ATOM C CA . ALA V 2 243 ? 44.426 1.890 -5.744 1.00 52.73 ? 244 ALA b CA 1 ? ? +30972 ATOM C CB . ALA V 2 243 ? 45.710 1.047 -5.830 1.00 53.21 ? 244 ALA b CB 1 ? ? +30973 ATOM C C . ALA V 2 243 ? 43.608 1.763 -7.022 1.00 52.03 ? 244 ALA b C 1 ? ? +30974 ATOM O O . ALA V 2 243 ? 43.655 2.612 -7.905 1.00 52.01 ? 244 ALA b O 1 ? ? +30975 ATOM N N . VAL V 2 244 ? 42.833 0.686 -7.100 1.00 51.52 ? 245 VAL b N 1 ? ? +30976 ATOM C CA . VAL V 2 244 ? 42.009 0.433 -8.272 1.00 50.90 ? 245 VAL b CA 1 ? ? +30977 ATOM C CB . VAL V 2 244 ? 41.465 -1.011 -8.198 1.00 50.56 ? 245 VAL b CB 1 ? ? +30978 ATOM C CG1 . VAL V 2 244 ? 40.237 -1.227 -9.046 1.00 49.84 ? 245 VAL b CG1 1 ? ? +30979 ATOM C CG2 . VAL V 2 244 ? 42.564 -1.999 -8.575 1.00 50.91 ? 245 VAL b CG2 1 ? ? +30980 ATOM C C . VAL V 2 244 ? 40.923 1.487 -8.498 1.00 50.50 ? 245 VAL b C 1 ? ? +30981 ATOM O O . VAL V 2 244 ? 40.650 1.828 -9.651 1.00 50.19 ? 245 VAL b O 1 ? ? +30982 ATOM N N . PHE V 2 245 ? 40.311 2.024 -7.428 1.00 50.51 ? 246 PHE b N 1 ? ? +30983 ATOM C CA . PHE V 2 245 ? 39.227 2.984 -7.635 1.00 50.17 ? 246 PHE b CA 1 ? ? +30984 ATOM C CB . PHE V 2 245 ? 38.166 2.987 -6.494 1.00 49.92 ? 246 PHE b CB 1 ? ? +30985 ATOM C CG . PHE V 2 245 ? 38.472 3.715 -5.210 1.00 50.46 ? 246 PHE b CG 1 ? ? +30986 ATOM C CD1 . PHE V 2 245 ? 38.683 5.085 -5.202 1.00 50.82 ? 246 PHE b CD1 1 ? ? +30987 ATOM C CD2 . PHE V 2 245 ? 38.519 3.038 -4.008 1.00 50.60 ? 246 PHE b CD2 1 ? ? +30988 ATOM C CE1 . PHE V 2 245 ? 38.962 5.752 -4.022 1.00 51.34 ? 246 PHE b CE1 1 ? ? +30989 ATOM C CE2 . PHE V 2 245 ? 38.790 3.711 -2.834 1.00 51.13 ? 246 PHE b CE2 1 ? ? +30990 ATOM C CZ . PHE V 2 245 ? 39.011 5.064 -2.845 1.00 51.49 ? 246 PHE b CZ 1 ? ? +30991 ATOM C C . PHE V 2 245 ? 39.830 4.358 -7.904 1.00 50.65 ? 246 PHE b C 1 ? ? +30992 ATOM O O . PHE V 2 245 ? 39.281 5.168 -8.637 1.00 50.33 ? 246 PHE b O 1 ? ? +30993 ATOM N N . PHE V 2 246 ? 41.010 4.607 -7.339 1.00 51.47 ? 247 PHE b N 1 ? ? +30994 ATOM C CA . PHE V 2 246 ? 41.784 5.769 -7.738 1.00 52.04 ? 247 PHE b CA 1 ? ? +30995 ATOM C CB . PHE V 2 246 ? 43.086 5.790 -6.973 1.00 53.11 ? 247 PHE b CB 1 ? ? +30996 ATOM C CG . PHE V 2 246 ? 43.942 6.987 -7.240 1.00 54.11 ? 247 PHE b CG 1 ? ? +30997 ATOM C CD2 . PHE V 2 246 ? 43.877 8.097 -6.422 1.00 54.84 ? 247 PHE b CD2 1 ? ? +30998 ATOM C CD1 . PHE V 2 246 ? 44.840 6.994 -8.288 1.00 54.52 ? 247 PHE b CD1 1 ? ? +30999 ATOM C CE2 . PHE V 2 246 ? 44.730 9.194 -6.635 1.00 55.66 ? 247 PHE b CE2 1 ? ? +31000 ATOM C CE1 . PHE V 2 246 ? 45.676 8.090 -8.507 1.00 55.36 ? 247 PHE b CE1 1 ? ? +31001 ATOM C CZ . PHE V 2 246 ? 45.624 9.179 -7.676 1.00 55.82 ? 247 PHE b CZ 1 ? ? +31002 ATOM C C . PHE V 2 246 ? 42.018 5.769 -9.245 1.00 51.59 ? 247 PHE b C 1 ? ? +31003 ATOM O O . PHE V 2 246 ? 41.704 6.740 -9.928 1.00 51.49 ? 247 PHE b O 1 ? ? +31004 ATOM N N . ALA V 2 247 ? 42.534 4.655 -9.765 1.00 51.26 ? 248 ALA b N 1 ? ? +31005 ATOM C CA . ALA V 2 247 ? 42.762 4.531 -11.192 1.00 50.97 ? 248 ALA b CA 1 ? ? +31006 ATOM C CB . ALA V 2 247 ? 43.458 3.211 -11.485 1.00 50.97 ? 248 ALA b CB 1 ? ? +31007 ATOM C C . ALA V 2 247 ? 41.461 4.666 -11.988 1.00 50.13 ? 248 ALA b C 1 ? ? +31008 ATOM O O . ALA V 2 247 ? 41.406 5.399 -12.975 1.00 50.03 ? 248 ALA b O 1 ? ? +31009 ATOM N N . ALA V 2 248 ? 40.400 3.982 -11.534 1.00 49.50 ? 249 ALA b N 1 ? ? +31010 ATOM C CA . ALA V 2 248 ? 39.109 4.061 -12.208 1.00 48.80 ? 249 ALA b CA 1 ? ? +31011 ATOM C CB . ALA V 2 248 ? 38.058 3.225 -11.491 1.00 48.35 ? 249 ALA b CB 1 ? ? +31012 ATOM C C . ALA V 2 248 ? 38.613 5.494 -12.374 1.00 48.77 ? 249 ALA b C 1 ? ? +31013 ATOM O O . ALA V 2 248 ? 38.196 5.870 -13.459 1.00 48.53 ? 249 ALA b O 1 ? ? +31014 ATOM N N . PHE V 2 249 ? 38.688 6.303 -11.317 1.00 49.08 ? 250 PHE b N 1 ? ? +31015 ATOM C CA . PHE V 2 249 ? 38.303 7.701 -11.422 1.00 49.20 ? 250 PHE b CA 1 ? ? +31016 ATOM C CB . PHE V 2 249 ? 38.369 8.401 -10.048 1.00 49.67 ? 250 PHE b CB 1 ? ? +31017 ATOM C CG . PHE V 2 249 ? 37.112 8.242 -9.225 1.00 49.33 ? 250 PHE b CG 1 ? ? +31018 ATOM C CD1 . PHE V 2 249 ? 35.871 8.555 -9.758 1.00 48.87 ? 250 PHE b CD1 1 ? ? +31019 ATOM C CD2 . PHE V 2 249 ? 37.168 7.773 -7.923 1.00 49.53 ? 250 PHE b CD2 1 ? ? +31020 ATOM C CE1 . PHE V 2 249 ? 34.712 8.407 -8.999 1.00 48.58 ? 250 PHE b CE1 1 ? ? +31021 ATOM C CE2 . PHE V 2 249 ? 36.006 7.605 -7.175 1.00 49.19 ? 250 PHE b CE2 1 ? ? +31022 ATOM C CZ . PHE V 2 249 ? 34.790 7.936 -7.713 1.00 48.74 ? 250 PHE b CZ 1 ? ? +31023 ATOM C C . PHE V 2 249 ? 39.123 8.477 -12.451 1.00 49.52 ? 250 PHE b C 1 ? ? +31024 ATOM O O . PHE V 2 249 ? 38.547 9.195 -13.272 1.00 49.30 ? 250 PHE b O 1 ? ? +31025 ATOM N N . VAL V 2 250 ? 40.459 8.309 -12.423 1.00 49.99 ? 251 VAL b N 1 ? ? +31026 ATOM C CA . VAL V 2 250 ? 41.323 8.986 -13.368 1.00 50.35 ? 251 VAL b CA 1 ? ? +31027 ATOM C CB . VAL V 2 250 ? 42.813 8.684 -13.072 1.00 51.01 ? 251 VAL b CB 1 ? ? +31028 ATOM C CG1 . VAL V 2 250 ? 43.720 9.130 -14.227 1.00 51.38 ? 251 VAL b CG1 1 ? ? +31029 ATOM C CG2 . VAL V 2 250 ? 43.236 9.333 -11.768 1.00 51.57 ? 251 VAL b CG2 1 ? ? +31030 ATOM C C . VAL V 2 250 ? 40.995 8.666 -14.820 1.00 49.91 ? 251 VAL b C 1 ? ? +31031 ATOM O O . VAL V 2 250 ? 40.867 9.578 -15.628 1.00 49.95 ? 251 VAL b O 1 ? ? +31032 ATOM N N . VAL V 2 251 ? 40.874 7.379 -15.160 1.00 49.55 ? 252 VAL b N 1 ? ? +31033 ATOM C CA . VAL V 2 251 ? 40.535 7.010 -16.530 1.00 49.22 ? 252 VAL b CA 1 ? ? +31034 ATOM C CB . VAL V 2 251 ? 40.728 5.510 -16.873 1.00 48.93 ? 252 VAL b CB 1 ? ? +31035 ATOM C CG1 . VAL V 2 251 ? 42.177 5.084 -16.625 1.00 49.52 ? 252 VAL b CG1 1 ? ? +31036 ATOM C CG2 . VAL V 2 251 ? 39.743 4.617 -16.127 1.00 48.38 ? 252 VAL b CG2 1 ? ? +31037 ATOM C C . VAL V 2 251 ? 39.116 7.440 -16.911 1.00 48.75 ? 252 VAL b C 1 ? ? +31038 ATOM O O . VAL V 2 251 ? 38.874 7.728 -18.077 1.00 48.63 ? 252 VAL b O 1 ? ? +31039 ATOM N N . ALA V 2 252 ? 38.184 7.510 -15.953 1.00 48.55 ? 253 ALA b N 1 ? ? +31040 ATOM C CA . ALA V 2 252 ? 36.863 8.043 -16.260 1.00 48.21 ? 253 ALA b CA 1 ? ? +31041 ATOM C CB . ALA V 2 252 ? 35.869 7.795 -15.112 1.00 47.90 ? 253 ALA b CB 1 ? ? +31042 ATOM C C . ALA V 2 252 ? 36.960 9.536 -16.577 1.00 48.68 ? 253 ALA b C 1 ? ? +31043 ATOM O O . ALA V 2 252 ? 36.314 10.031 -17.504 1.00 48.53 ? 253 ALA b O 1 ? ? +31044 ATOM N N . GLY V 2 253 ? 37.762 10.258 -15.795 1.00 49.29 ? 254 GLY b N 1 ? ? +31045 ATOM C CA . GLY V 2 253 ? 37.980 11.668 -16.052 1.00 49.80 ? 254 GLY b CA 1 ? ? +31046 ATOM C C . GLY V 2 253 ? 38.671 11.972 -17.378 1.00 50.13 ? 254 GLY b C 1 ? ? +31047 ATOM O O . GLY V 2 253 ? 38.272 12.897 -18.074 1.00 50.21 ? 254 GLY b O 1 ? ? +31048 ATOM N N . THR V 2 254 ? 39.732 11.229 -17.723 1.00 50.43 ? 255 THR b N 1 ? ? +31049 ATOM C CA . THR V 2 254 ? 40.462 11.533 -18.943 1.00 50.78 ? 255 THR b CA 1 ? ? +31050 ATOM C CB . THR V 2 254 ? 41.835 10.867 -18.989 1.00 51.22 ? 255 THR b CB 1 ? ? +31051 ATOM O OG1 . THR V 2 254 ? 41.647 9.482 -18.868 1.00 50.79 ? 255 THR b OG1 1 ? ? +31052 ATOM C CG2 . THR V 2 254 ? 42.751 11.336 -17.897 1.00 51.89 ? 255 THR b CG2 1 ? ? +31053 ATOM C C . THR V 2 254 ? 39.610 11.163 -20.152 1.00 50.24 ? 255 THR b C 1 ? ? +31054 ATOM O O . THR V 2 254 ? 39.689 11.812 -21.184 1.00 50.37 ? 255 THR b O 1 ? ? +31055 ATOM N N . MET V 2 255 ? 38.781 10.126 -20.016 1.00 49.74 ? 256 MET b N 1 ? ? +31056 ATOM C CA . MET V 2 255 ? 37.852 9.764 -21.080 1.00 49.26 ? 256 MET b CA 1 ? ? +31057 ATOM C CB . MET V 2 255 ? 37.087 8.474 -20.756 1.00 48.68 ? 256 MET b CB 1 ? ? +31058 ATOM C CG . MET V 2 255 ? 36.193 7.976 -21.891 1.00 48.22 ? 256 MET b CG 1 ? ? +31059 ATOM S SD . MET V 2 255 ? 37.159 7.702 -23.408 1.00 48.54 ? 256 MET b SD 1 ? ? +31060 ATOM C CE . MET V 2 255 ? 37.770 6.083 -23.094 1.00 48.37 ? 256 MET b CE 1 ? ? +31061 ATOM C C . MET V 2 255 ? 36.875 10.908 -21.344 1.00 49.20 ? 256 MET b C 1 ? ? +31062 ATOM O O . MET V 2 255 ? 36.560 11.186 -22.491 1.00 49.11 ? 256 MET b O 1 ? ? +31063 ATOM N N . TRP V 2 256 ? 36.437 11.601 -20.292 1.00 49.34 ? 257 TRP b N 1 ? ? +31064 ATOM C CA . TRP V 2 256 ? 35.427 12.633 -20.446 1.00 49.33 ? 257 TRP b CA 1 ? ? +31065 ATOM C CB . TRP V 2 256 ? 34.632 12.802 -19.142 1.00 49.21 ? 257 TRP b CB 1 ? ? +31066 ATOM C CG . TRP V 2 256 ? 33.333 13.532 -19.316 1.00 48.99 ? 257 TRP b CG 1 ? ? +31067 ATOM C CD1 . TRP V 2 256 ? 32.975 14.720 -18.753 1.00 49.30 ? 257 TRP b CD1 1 ? ? +31068 ATOM N NE1 . TRP V 2 256 ? 31.694 15.067 -19.151 1.00 48.98 ? 257 TRP b NE1 1 ? ? +31069 ATOM C CE2 . TRP V 2 256 ? 31.216 14.103 -19.994 1.00 48.44 ? 257 TRP b CE2 1 ? ? +31070 ATOM C CZ2 . TRP V 2 256 ? 30.006 14.019 -20.661 1.00 48.01 ? 257 TRP b CZ2 1 ? ? +31071 ATOM C CH2 . TRP V 2 256 ? 29.797 12.929 -21.456 1.00 47.58 ? 257 TRP b CH2 1 ? ? +31072 ATOM C CZ3 . TRP V 2 256 ? 30.762 11.927 -21.591 1.00 47.58 ? 257 TRP b CZ3 1 ? ? +31073 ATOM C CE3 . TRP V 2 256 ? 31.973 12.011 -20.936 1.00 48.03 ? 257 TRP b CE3 1 ? ? +31074 ATOM C CD2 . TRP V 2 256 ? 32.220 13.119 -20.121 1.00 48.46 ? 257 TRP b CD2 1 ? ? +31075 ATOM C C . TRP V 2 256 ? 36.001 13.968 -20.911 1.00 49.92 ? 257 TRP b C 1 ? ? +31076 ATOM O O . TRP V 2 256 ? 35.479 14.596 -21.817 1.00 49.90 ? 257 TRP b O 1 ? ? +31077 ATOM N N . TYR V 2 257 ? 37.083 14.424 -20.294 1.00 50.59 ? 258 TYR b N 1 ? ? +31078 ATOM C CA . TYR V 2 257 ? 37.700 15.674 -20.722 1.00 51.24 ? 258 TYR b CA 1 ? ? +31079 ATOM C CB . TYR V 2 257 ? 38.549 16.237 -19.594 1.00 51.92 ? 258 TYR b CB 1 ? ? +31080 ATOM C CG . TYR V 2 257 ? 37.717 16.432 -18.351 1.00 51.83 ? 258 TYR b CG 1 ? ? +31081 ATOM C CD1 . TYR V 2 257 ? 36.557 17.201 -18.377 1.00 51.63 ? 258 TYR b CD1 1 ? ? +31082 ATOM C CD2 . TYR V 2 257 ? 38.060 15.814 -17.157 1.00 51.93 ? 258 TYR b CD2 1 ? ? +31083 ATOM C CE1 . TYR V 2 257 ? 35.773 17.364 -17.238 1.00 51.48 ? 258 TYR b CE1 1 ? ? +31084 ATOM C CE2 . TYR V 2 257 ? 37.277 15.962 -16.016 1.00 51.82 ? 258 TYR b CE2 1 ? ? +31085 ATOM C CZ . TYR V 2 257 ? 36.128 16.732 -16.065 1.00 51.55 ? 258 TYR b CZ 1 ? ? +31086 ATOM O OH . TYR V 2 257 ? 35.399 16.897 -14.928 1.00 51.39 ? 258 TYR b OH 1 ? ? +31087 ATOM C C . TYR V 2 257 ? 38.529 15.531 -21.995 1.00 51.36 ? 258 TYR b C 1 ? ? +31088 ATOM O O . TYR V 2 257 ? 38.705 16.500 -22.736 1.00 51.73 ? 258 TYR b O 1 ? ? +31089 ATOM N N . GLY V 2 258 ? 39.012 14.312 -22.235 1.00 51.07 ? 259 GLY b N 1 ? ? +31090 ATOM C CA . GLY V 2 258 ? 39.896 14.026 -23.348 1.00 51.35 ? 259 GLY b CA 1 ? ? +31091 ATOM C C . GLY V 2 258 ? 41.368 14.122 -22.947 1.00 52.04 ? 259 GLY b C 1 ? ? +31092 ATOM O O . GLY V 2 258 ? 41.724 14.920 -22.081 1.00 52.35 ? 259 GLY b O 1 ? ? +31093 ATOM N N . SER V 2 259 ? 42.188 13.280 -23.583 1.00 52.20 ? 260 SER b N 1 ? ? +31094 ATOM C CA . SER V 2 259 ? 43.640 13.321 -23.457 1.00 53.01 ? 260 SER b CA 1 ? ? +31095 ATOM C CB . SER V 2 259 ? 44.120 12.610 -22.188 1.00 53.06 ? 260 SER b CB 1 ? ? +31096 ATOM O OG . SER V 2 259 ? 44.066 11.197 -22.320 1.00 52.57 ? 260 SER b OG 1 ? ? +31097 ATOM C C . SER V 2 259 ? 44.242 12.657 -24.693 1.00 53.14 ? 260 SER b C 1 ? ? +31098 ATOM O O . SER V 2 259 ? 43.507 12.138 -25.541 1.00 52.69 ? 260 SER b O 1 ? ? +31099 ATOM N N . ALA V 2 260 ? 45.576 12.650 -24.756 1.00 53.83 ? 261 ALA b N 1 ? ? +31100 ATOM C CA . ALA V 2 260 ? 46.309 11.994 -25.825 1.00 54.00 ? 261 ALA b CA 1 ? ? +31101 ATOM C CB . ALA V 2 260 ? 47.817 12.213 -25.640 1.00 54.89 ? 261 ALA b CB 1 ? ? +31102 ATOM C C . ALA V 2 260 ? 45.998 10.503 -25.893 1.00 53.45 ? 261 ALA b C 1 ? ? +31103 ATOM O O . ALA V 2 260 ? 46.146 9.887 -26.939 1.00 53.39 ? 261 ALA b O 1 ? ? +31104 ATOM N N . THR V 2 261 ? 45.575 9.903 -24.777 1.00 53.18 ? 262 THR b N 1 ? ? +31105 ATOM C CA . THR V 2 261 ? 45.226 8.492 -24.774 1.00 52.65 ? 262 THR b CA 1 ? ? +31106 ATOM C CB . THR V 2 261 ? 45.620 7.856 -23.440 1.00 52.81 ? 262 THR b CB 1 ? ? +31107 ATOM O OG1 . THR V 2 261 ? 44.831 8.444 -22.401 1.00 52.76 ? 262 THR b OG1 1 ? ? +31108 ATOM C CG2 . THR V 2 261 ? 47.113 8.035 -23.113 1.00 53.65 ? 262 THR b CG2 1 ? ? +31109 ATOM C C . THR V 2 261 ? 43.749 8.222 -25.046 1.00 51.82 ? 262 THR b C 1 ? ? +31110 ATOM O O . THR V 2 261 ? 43.342 7.062 -25.064 1.00 51.36 ? 262 THR b O 1 ? ? +31111 ATOM N N . THR V 2 262 ? 42.939 9.261 -25.285 1.00 51.70 ? 263 THR b N 1 ? ? +31112 ATOM C CA . THR V 2 262 ? 41.534 9.031 -25.639 1.00 50.96 ? 263 THR b CA 1 ? ? +31113 ATOM C CB . THR V 2 262 ? 40.571 9.371 -24.493 1.00 50.53 ? 263 THR b CB 1 ? ? +31114 ATOM O OG1 . THR V 2 262 ? 40.609 10.770 -24.229 1.00 50.87 ? 263 THR b OG1 1 ? ? +31115 ATOM C CG2 . THR V 2 262 ? 40.882 8.598 -23.248 1.00 50.51 ? 263 THR b CG2 1 ? ? +31116 ATOM C C . THR V 2 262 ? 41.148 9.811 -26.892 1.00 51.09 ? 263 THR b C 1 ? ? +31117 ATOM O O . THR V 2 262 ? 40.318 10.719 -26.837 1.00 51.01 ? 263 THR b O 1 ? ? +31118 ATOM N N . PRO V 2 263 ? 41.758 9.486 -28.058 1.00 51.34 ? 264 PRO b N 1 ? ? +31119 ATOM C CA . PRO V 2 263 ? 41.613 10.301 -29.263 1.00 51.59 ? 264 PRO b CA 1 ? ? +31120 ATOM C CB . PRO V 2 263 ? 42.636 9.697 -30.223 1.00 51.84 ? 264 PRO b CB 1 ? ? +31121 ATOM C CG . PRO V 2 263 ? 42.767 8.315 -29.787 1.00 51.48 ? 264 PRO b CG 1 ? ? +31122 ATOM C CD . PRO V 2 263 ? 42.597 8.304 -28.286 1.00 51.38 ? 264 PRO b CD 1 ? ? +31123 ATOM C C . PRO V 2 263 ? 40.185 10.234 -29.791 1.00 50.98 ? 264 PRO b C 1 ? ? +31124 ATOM O O . PRO V 2 263 ? 39.523 9.228 -29.602 1.00 50.41 ? 264 PRO b O 1 ? ? +31125 ATOM N N . ILE V 2 264 ? 39.751 11.302 -30.465 1.00 51.27 ? 265 ILE b N 1 ? ? +31126 ATOM C CA . ILE V 2 264 ? 38.364 11.463 -30.861 1.00 50.92 ? 265 ILE b CA 1 ? ? +31127 ATOM C CB . ILE V 2 264 ? 38.040 12.947 -31.141 1.00 51.38 ? 265 ILE b CB 1 ? ? +31128 ATOM C CG1 . ILE V 2 264 ? 38.735 13.476 -32.390 1.00 51.97 ? 265 ILE b CG1 1 ? ? +31129 ATOM C CG2 . ILE V 2 264 ? 38.358 13.799 -29.923 1.00 51.78 ? 265 ILE b CG2 1 ? ? +31130 ATOM C CD1 . ILE V 2 264 ? 38.282 14.882 -32.784 1.00 52.37 ? 265 ILE b CD1 1 ? ? +31131 ATOM C C . ILE V 2 264 ? 37.951 10.577 -32.034 1.00 50.54 ? 265 ILE b C 1 ? ? +31132 ATOM O O . ILE V 2 264 ? 36.769 10.261 -32.183 1.00 49.93 ? 265 ILE b O 1 ? ? +31133 ATOM N N . GLU V 2 265 ? 38.929 10.160 -32.845 1.00 50.80 ? 266 GLU b N 1 ? ? +31134 ATOM C CA . GLU V 2 265 ? 38.661 9.276 -33.970 1.00 50.49 ? 266 GLU b CA 1 ? ? +31135 ATOM C CB . GLU V 2 265 ? 39.854 9.242 -34.948 1.00 51.13 ? 266 GLU b CB 1 ? ? +31136 ATOM C CG . GLU V 2 265 ? 39.925 10.482 -35.793 1.00 51.69 ? 266 GLU b CG 1 ? ? +31137 ATOM C CD . GLU V 2 265 ? 41.291 10.726 -36.367 1.00 52.64 ? 266 GLU b CD 1 ? ? +31138 ATOM O OE1 . GLU V 2 265 ? 42.243 10.974 -35.580 1.00 53.16 ? 266 GLU b OE1 1 ? ? +31139 ATOM O OE2 . GLU V 2 265 ? 41.409 10.664 -37.613 1.00 52.89 ? 266 GLU b OE2 1 ? ? +31140 ATOM C C . GLU V 2 265 ? 38.360 7.856 -33.516 1.00 49.81 ? 266 GLU b C 1 ? ? +31141 ATOM O O . GLU V 2 265 ? 37.823 7.077 -34.290 1.00 49.34 ? 266 GLU b O 1 ? ? +31142 ATOM N N . LEU V 2 266 ? 38.760 7.526 -32.284 1.00 49.80 ? 267 LEU b N 1 ? ? +31143 ATOM C CA . LEU V 2 266 ? 38.548 6.204 -31.726 1.00 49.33 ? 267 LEU b CA 1 ? ? +31144 ATOM C CB . LEU V 2 266 ? 39.819 5.727 -30.998 1.00 49.78 ? 267 LEU b CB 1 ? ? +31145 ATOM C CG . LEU V 2 266 ? 41.078 5.655 -31.839 1.00 50.39 ? 267 LEU b CG 1 ? ? +31146 ATOM C CD1 . LEU V 2 266 ? 42.188 5.008 -31.065 1.00 50.73 ? 267 LEU b CD1 1 ? ? +31147 ATOM C CD2 . LEU V 2 266 ? 40.844 4.904 -33.134 1.00 50.15 ? 267 LEU b CD2 1 ? ? +31148 ATOM C C . LEU V 2 266 ? 37.370 6.163 -30.755 1.00 48.75 ? 267 LEU b C 1 ? ? +31149 ATOM O O . LEU V 2 266 ? 36.680 5.155 -30.715 1.00 48.22 ? 267 LEU b O 1 ? ? +31150 ATOM N N . PHE V 2 267 ? 37.153 7.231 -29.965 1.00 48.82 ? 268 PHE b N 1 ? ? +31151 ATOM C CA . PHE V 2 267 ? 36.057 7.244 -29.000 1.00 48.36 ? 268 PHE b CA 1 ? ? +31152 ATOM C CB . PHE V 2 267 ? 36.621 7.478 -27.616 1.00 48.58 ? 268 PHE b CB 1 ? ? +31153 ATOM C CG . PHE V 2 267 ? 37.564 6.389 -27.170 1.00 48.66 ? 268 PHE b CG 1 ? ? +31154 ATOM C CD1 . PHE V 2 267 ? 37.081 5.172 -26.710 1.00 48.16 ? 268 PHE b CD1 1 ? ? +31155 ATOM C CD2 . PHE V 2 267 ? 38.937 6.574 -27.221 1.00 49.19 ? 268 PHE b CD2 1 ? ? +31156 ATOM C CE1 . PHE V 2 267 ? 37.963 4.177 -26.293 1.00 48.25 ? 268 PHE b CE1 1 ? ? +31157 ATOM C CE2 . PHE V 2 267 ? 39.791 5.571 -26.829 1.00 49.28 ? 268 PHE b CE2 1 ? ? +31158 ATOM C CZ . PHE V 2 267 ? 39.305 4.384 -26.368 1.00 48.76 ? 268 PHE b CZ 1 ? ? +31159 ATOM C C . PHE V 2 267 ? 34.932 8.252 -29.268 1.00 48.18 ? 268 PHE b C 1 ? ? +31160 ATOM O O . PHE V 2 267 ? 33.881 8.210 -28.623 1.00 47.76 ? 268 PHE b O 1 ? ? +31161 ATOM N N . GLY V 2 268 ? 35.184 9.159 -30.220 1.00 48.49 ? 269 GLY b N 1 ? ? +31162 ATOM C CA . GLY V 2 268 ? 34.254 10.209 -30.588 1.00 48.36 ? 269 GLY b CA 1 ? ? +31163 ATOM C C . GLY V 2 268 ? 34.651 11.531 -29.941 1.00 48.78 ? 269 GLY b C 1 ? ? +31164 ATOM O O . GLY V 2 268 ? 35.530 11.584 -29.079 1.00 49.01 ? 269 GLY b O 1 ? ? +31165 ATOM N N . PRO V 2 269 ? 34.000 12.643 -30.338 1.00 48.81 ? 270 PRO b N 1 ? ? +31166 ATOM C CA . PRO V 2 269 ? 34.244 13.934 -29.699 1.00 49.27 ? 270 PRO b CA 1 ? ? +31167 ATOM C CB . PRO V 2 269 ? 33.465 14.905 -30.581 1.00 49.34 ? 270 PRO b CB 1 ? ? +31168 ATOM C CG . PRO V 2 269 ? 32.469 14.065 -31.306 1.00 48.79 ? 270 PRO b CG 1 ? ? +31169 ATOM C CD . PRO V 2 269 ? 33.040 12.710 -31.449 1.00 48.54 ? 270 PRO b CD 1 ? ? +31170 ATOM C C . PRO V 2 269 ? 33.809 14.008 -28.237 1.00 49.06 ? 270 PRO b C 1 ? ? +31171 ATOM O O . PRO V 2 269 ? 33.059 13.174 -27.739 1.00 48.56 ? 270 PRO b O 1 ? ? +31172 ATOM N N . THR V 2 270 ? 34.320 15.019 -27.540 1.00 49.55 ? 271 THR b N 1 ? ? +31173 ATOM C CA . THR V 2 270 ? 33.934 15.250 -26.164 1.00 49.48 ? 271 THR b CA 1 ? ? +31174 ATOM C CB . THR V 2 270 ? 35.074 15.795 -25.354 1.00 50.00 ? 271 THR b CB 1 ? ? +31175 ATOM O OG1 . THR V 2 270 ? 35.291 17.132 -25.780 1.00 50.52 ? 271 THR b OG1 1 ? ? +31176 ATOM C CG2 . THR V 2 270 ? 36.292 14.970 -25.488 1.00 50.17 ? 271 THR b CG2 1 ? ? +31177 ATOM C C . THR V 2 270 ? 32.791 16.254 -26.154 1.00 49.50 ? 271 THR b C 1 ? ? +31178 ATOM O O . THR V 2 270 ? 32.580 16.972 -27.129 1.00 49.69 ? 271 THR b O 1 ? ? +31179 ATOM N N . ARG V 2 271 ? 32.091 16.334 -25.023 1.00 49.39 ? 272 ARG b N 1 ? ? +31180 ATOM C CA . ARG V 2 271 ? 30.996 17.277 -24.913 1.00 49.44 ? 272 ARG b CA 1 ? ? +31181 ATOM C CB . ARG V 2 271 ? 30.165 17.067 -23.634 1.00 49.10 ? 272 ARG b CB 1 ? ? +31182 ATOM C CG . ARG V 2 271 ? 30.928 17.349 -22.349 1.00 49.39 ? 272 ARG b CG 1 ? ? +31183 ATOM C CD . ARG V 2 271 ? 29.999 17.710 -21.247 1.00 49.23 ? 272 ARG b CD 1 ? ? +31184 ATOM N NE . ARG V 2 271 ? 29.370 18.994 -21.525 1.00 49.45 ? 272 ARG b NE 1 ? ? +31185 ATOM C CZ . ARG V 2 271 ? 28.201 19.389 -21.043 1.00 49.12 ? 272 ARG b CZ 1 ? ? +31186 ATOM N NH1 . ARG V 2 271 ? 27.529 18.655 -20.180 1.00 48.67 ? 272 ARG b NH1 1 ? ? +31187 ATOM N NH2 . ARG V 2 271 ? 27.718 20.567 -21.413 1.00 49.35 ? 272 ARG b NH2 1 ? ? +31188 ATOM C C . ARG V 2 271 ? 31.551 18.694 -24.954 1.00 50.23 ? 272 ARG b C 1 ? ? +31189 ATOM O O . ARG V 2 271 ? 30.913 19.601 -25.475 1.00 50.49 ? 272 ARG b O 1 ? ? +31190 ATOM N N . TYR V 2 272 ? 32.763 18.881 -24.427 1.00 50.81 ? 273 TYR b N 1 ? ? +31191 ATOM C CA . TYR V 2 272 ? 33.311 20.217 -24.272 1.00 51.47 ? 273 TYR b CA 1 ? ? +31192 ATOM C CB . TYR V 2 272 ? 34.511 20.178 -23.313 1.00 51.78 ? 273 TYR b CB 1 ? ? +31193 ATOM C CG . TYR V 2 272 ? 34.114 19.620 -21.969 1.00 51.29 ? 273 TYR b CG 1 ? ? +31194 ATOM C CD1 . TYR V 2 272 ? 33.528 20.425 -21.006 1.00 51.33 ? 273 TYR b CD1 1 ? ? +31195 ATOM C CD2 . TYR V 2 272 ? 34.253 18.268 -21.688 1.00 50.81 ? 273 TYR b CD2 1 ? ? +31196 ATOM C CE1 . TYR V 2 272 ? 33.123 19.904 -19.774 1.00 51.03 ? 273 TYR b CE1 1 ? ? +31197 ATOM C CE2 . TYR V 2 272 ? 33.833 17.731 -20.472 1.00 50.49 ? 273 TYR b CE2 1 ? ? +31198 ATOM C CZ . TYR V 2 272 ? 33.263 18.550 -19.513 1.00 50.59 ? 273 TYR b CZ 1 ? ? +31199 ATOM O OH . TYR V 2 272 ? 32.852 18.000 -18.305 1.00 50.30 ? 273 TYR b OH 1 ? ? +31200 ATOM C C . TYR V 2 272 ? 33.603 20.822 -25.641 1.00 52.03 ? 273 TYR b C 1 ? ? +31201 ATOM O O . TYR V 2 272 ? 33.554 22.037 -25.794 1.00 52.58 ? 273 TYR b O 1 ? ? +31202 ATOM N N . GLN V 2 273 ? 33.823 19.980 -26.654 1.00 52.05 ? 274 GLN b N 1 ? ? +31203 ATOM C CA . GLN V 2 273 ? 34.058 20.477 -28.002 1.00 52.63 ? 274 GLN b CA 1 ? ? +31204 ATOM C CB . GLN V 2 273 ? 34.606 19.348 -28.881 1.00 52.52 ? 274 GLN b CB 1 ? ? +31205 ATOM C CG . GLN V 2 273 ? 36.016 18.934 -28.442 1.00 52.96 ? 274 GLN b CG 1 ? ? +31206 ATOM C CD . GLN V 2 273 ? 36.577 17.765 -29.194 1.00 52.77 ? 274 GLN b CD 1 ? ? +31207 ATOM O OE1 . GLN V 2 273 ? 35.950 16.721 -29.375 1.00 52.15 ? 274 GLN b OE1 1 ? ? +31208 ATOM N NE2 . GLN V 2 273 ? 37.791 17.927 -29.645 1.00 53.38 ? 274 GLN b NE2 1 ? ? +31209 ATOM C C . GLN V 2 273 ? 32.814 21.124 -28.615 1.00 52.67 ? 274 GLN b C 1 ? ? +31210 ATOM O O . GLN V 2 273 ? 32.920 22.054 -29.410 1.00 53.07 ? 274 GLN b O 1 ? ? +31211 ATOM N N . TRP V 2 274 ? 31.631 20.640 -28.217 1.00 52.39 ? 275 TRP b N 1 ? ? +31212 ATOM C CA . TRP V 2 274 ? 30.376 21.265 -28.589 1.00 52.48 ? 275 TRP b CA 1 ? ? +31213 ATOM C CB . TRP V 2 274 ? 29.209 20.293 -28.408 1.00 51.87 ? 275 TRP b CB 1 ? ? +31214 ATOM C CG . TRP V 2 274 ? 27.879 20.916 -28.705 1.00 51.88 ? 275 TRP b CG 1 ? ? +31215 ATOM C CD1 . TRP V 2 274 ? 26.966 21.359 -27.793 1.00 51.84 ? 275 TRP b CD1 1 ? ? +31216 ATOM N NE1 . TRP V 2 274 ? 25.865 21.864 -28.431 1.00 51.77 ? 275 TRP b NE1 1 ? ? +31217 ATOM C CE2 . TRP V 2 274 ? 26.043 21.751 -29.783 1.00 51.84 ? 275 TRP b CE2 1 ? ? +31218 ATOM C CZ2 . TRP V 2 274 ? 25.215 22.139 -30.834 1.00 51.88 ? 275 TRP b CZ2 1 ? ? +31219 ATOM C CH2 . TRP V 2 274 ? 25.654 21.891 -32.104 1.00 52.03 ? 275 TRP b CH2 1 ? ? +31220 ATOM C CZ3 . TRP V 2 274 ? 26.896 21.291 -32.344 1.00 52.14 ? 275 TRP b CZ3 1 ? ? +31221 ATOM C CE3 . TRP V 2 274 ? 27.730 20.921 -31.302 1.00 52.07 ? 275 TRP b CE3 1 ? ? +31222 ATOM C CD2 . TRP V 2 274 ? 27.305 21.153 -29.992 1.00 51.95 ? 275 TRP b CD2 1 ? ? +31223 ATOM C C . TRP V 2 274 ? 30.141 22.535 -27.779 1.00 53.11 ? 275 TRP b C 1 ? ? +31224 ATOM O O . TRP V 2 274 ? 29.817 23.571 -28.348 1.00 53.55 ? 275 TRP b O 1 ? ? +31225 ATOM N N . ASP V 2 275 ? 30.330 22.453 -26.457 1.00 53.40 ? 276 ASP b N 1 ? ? +31226 ATOM C CA . ASP V 2 275 ? 30.129 23.587 -25.563 1.00 53.96 ? 276 ASP b CA 1 ? ? +31227 ATOM C CB . ASP V 2 275 ? 30.580 23.266 -24.121 1.00 54.01 ? 276 ASP b CB 1 ? ? +31228 ATOM C CG . ASP V 2 275 ? 29.794 22.202 -23.423 1.00 53.46 ? 276 ASP b CG 1 ? ? +31229 ATOM O OD1 . ASP V 2 275 ? 28.569 22.084 -23.704 1.00 53.48 ? 276 ASP b OD1 1 ? ? +31230 ATOM O OD2 . ASP V 2 275 ? 30.383 21.490 -22.571 1.00 53.31 ? 276 ASP b OD2 1 ? ? +31231 ATOM C C . ASP V 2 275 ? 30.877 24.839 -26.008 1.00 54.84 ? 276 ASP b C 1 ? ? +31232 ATOM O O . ASP V 2 275 ? 30.328 25.933 -25.936 1.00 55.32 ? 276 ASP b O 1 ? ? +31233 ATOM N N . SER V 2 276 ? 32.134 24.672 -26.439 1.00 55.22 ? 277 SER b N 1 ? ? +31234 ATOM C CA . SER V 2 276 ? 32.970 25.792 -26.854 1.00 56.07 ? 277 SER b CA 1 ? ? +31235 ATOM C CB . SER V 2 276 ? 34.388 25.596 -26.332 1.00 56.32 ? 277 SER b CB 1 ? ? +31236 ATOM O OG . SER V 2 276 ? 34.906 24.363 -26.790 1.00 55.87 ? 277 SER b OG 1 ? ? +31237 ATOM C C . SER V 2 276 ? 33.013 26.024 -28.366 1.00 56.52 ? 277 SER b C 1 ? ? +31238 ATOM O O . SER V 2 276 ? 33.717 26.912 -28.822 1.00 57.20 ? 277 SER b O 1 ? ? +31239 ATOM N N . SER V 2 277 ? 32.238 25.251 -29.141 1.00 56.37 ? 278 SER b N 1 ? ? +31240 ATOM C CA . SER V 2 277 ? 32.200 25.381 -30.592 1.00 56.79 ? 278 SER b CA 1 ? ? +31241 ATOM C CB . SER V 2 277 ? 31.611 26.727 -31.009 1.00 57.28 ? 278 SER b CB 1 ? ? +31242 ATOM O OG . SER V 2 277 ? 30.395 26.993 -30.330 1.00 57.22 ? 278 SER b OG 1 ? ? +31243 ATOM C C . SER V 2 277 ? 33.594 25.212 -31.196 1.00 57.56 ? 278 SER b C 1 ? ? +31244 ATOM O O . SER V 2 277 ? 33.968 25.918 -32.132 1.00 58.28 ? 278 SER b O 1 ? ? +31245 ATOM N N . TYR V 2 278 ? 34.349 24.260 -30.636 1.00 57.47 ? 279 TYR b N 1 ? ? +31246 ATOM C CA . TYR V 2 278 ? 35.703 23.957 -31.065 1.00 57.81 ? 279 TYR b CA 1 ? ? +31247 ATOM C CB . TYR V 2 278 ? 36.175 22.721 -30.307 1.00 57.27 ? 279 TYR b CB 1 ? ? +31248 ATOM C CG . TYR V 2 278 ? 37.594 22.295 -30.591 1.00 57.46 ? 279 TYR b CG 1 ? ? +31249 ATOM C CD1 . TYR V 2 278 ? 38.667 23.030 -30.118 1.00 58.12 ? 279 TYR b CD1 1 ? ? +31250 ATOM C CD2 . TYR V 2 278 ? 37.862 21.131 -31.299 1.00 57.06 ? 279 TYR b CD2 1 ? ? +31251 ATOM C CE1 . TYR V 2 278 ? 39.977 22.636 -30.363 1.00 58.55 ? 279 TYR b CE1 1 ? ? +31252 ATOM C CE2 . TYR V 2 278 ? 39.163 20.717 -31.541 1.00 57.40 ? 279 TYR b CE2 1 ? ? +31253 ATOM C CZ . TYR V 2 278 ? 40.226 21.476 -31.075 1.00 58.18 ? 279 TYR b CZ 1 ? ? +31254 ATOM O OH . TYR V 2 278 ? 41.527 21.092 -31.325 1.00 58.50 ? 279 TYR b OH 1 ? ? +31255 ATOM C C . TYR V 2 278 ? 35.771 23.737 -32.573 1.00 58.03 ? 279 TYR b C 1 ? ? +31256 ATOM O O . TYR V 2 278 ? 36.521 24.411 -33.264 1.00 58.89 ? 279 TYR b O 1 ? ? +31257 ATOM N N . PHE V 2 279 ? 34.955 22.813 -33.083 1.00 57.61 ? 280 PHE b N 1 ? ? +31258 ATOM C CA . PHE V 2 279 ? 34.946 22.496 -34.502 1.00 57.81 ? 280 PHE b CA 1 ? ? +31259 ATOM C CB . PHE V 2 279 ? 34.199 21.181 -34.718 1.00 56.75 ? 280 PHE b CB 1 ? ? +31260 ATOM C CG . PHE V 2 279 ? 34.880 20.020 -34.037 1.00 56.23 ? 280 PHE b CG 1 ? ? +31261 ATOM C CD1 . PHE V 2 279 ? 36.086 19.517 -34.518 1.00 56.54 ? 280 PHE b CD1 1 ? ? +31262 ATOM C CD2 . PHE V 2 279 ? 34.341 19.452 -32.903 1.00 55.55 ? 280 PHE b CD2 1 ? ? +31263 ATOM C CE1 . PHE V 2 279 ? 36.715 18.447 -33.885 1.00 56.17 ? 280 PHE b CE1 1 ? ? +31264 ATOM C CE2 . PHE V 2 279 ? 34.972 18.390 -32.271 1.00 55.31 ? 280 PHE b CE2 1 ? ? +31265 ATOM C CZ . PHE V 2 279 ? 36.156 17.893 -32.764 1.00 55.63 ? 280 PHE b CZ 1 ? ? +31266 ATOM C C . PHE V 2 279 ? 34.372 23.610 -35.384 1.00 58.76 ? 280 PHE b C 1 ? ? +31267 ATOM O O . PHE V 2 279 ? 34.937 23.913 -36.437 1.00 59.57 ? 280 PHE b O 1 ? ? +31268 ATOM N N . GLN V 2 280 ? 33.277 24.243 -34.939 1.00 59.06 ? 281 GLN b N 1 ? ? +31269 ATOM C CA . GLN V 2 280 ? 32.701 25.377 -35.653 1.00 59.67 ? 281 GLN b CA 1 ? ? +31270 ATOM C CB . GLN V 2 280 ? 31.519 25.960 -34.881 1.00 59.68 ? 281 GLN b CB 1 ? ? +31271 ATOM C CG . GLN V 2 280 ? 30.935 27.239 -35.503 1.00 60.53 ? 281 GLN b CG 1 ? ? +31272 ATOM C CD . GLN V 2 280 ? 29.605 27.637 -34.880 1.00 60.82 ? 281 GLN b CD 1 ? ? +31273 ATOM O OE1 . GLN V 2 280 ? 29.457 27.752 -33.653 1.00 61.36 ? 281 GLN b OE1 1 ? ? +31274 ATOM N NE2 . GLN V 2 280 ? 28.583 27.839 -35.700 1.00 60.90 ? 281 GLN b NE2 1 ? ? +31275 ATOM C C . GLN V 2 280 ? 33.709 26.498 -35.921 1.00 60.78 ? 281 GLN b C 1 ? ? +31276 ATOM O O . GLN V 2 280 ? 33.716 27.078 -37.006 1.00 61.10 ? 281 GLN b O 1 ? ? +31277 ATOM N N . GLN V 2 281 ? 34.537 26.819 -34.917 1.00 61.32 ? 282 GLN b N 1 ? ? +31278 ATOM C CA . GLN V 2 281 ? 35.539 27.865 -35.047 1.00 62.38 ? 282 GLN b CA 1 ? ? +31279 ATOM C CB . GLN V 2 281 ? 36.255 28.102 -33.730 1.00 63.23 ? 282 GLN b CB 1 ? ? +31280 ATOM C CG . GLN V 2 281 ? 35.497 28.988 -32.784 1.00 63.77 ? 282 GLN b CG 1 ? ? +31281 ATOM C CD . GLN V 2 281 ? 36.218 29.056 -31.460 1.00 64.68 ? 282 GLN b CD 1 ? ? +31282 ATOM O OE1 . GLN V 2 281 ? 37.473 29.230 -31.372 1.00 65.54 ? 282 GLN b OE1 1 ? ? +31283 ATOM N NE2 . GLN V 2 281 ? 35.427 28.854 -30.402 1.00 64.40 ? 282 GLN b NE2 1 ? ? +31284 ATOM C C . GLN V 2 281 ? 36.586 27.555 -36.107 1.00 62.44 ? 282 GLN b C 1 ? ? +31285 ATOM O O . GLN V 2 281 ? 36.962 28.446 -36.861 1.00 63.12 ? 282 GLN b O 1 ? ? +31286 ATOM N N . GLU V 2 282 ? 37.044 26.301 -36.153 1.00 61.83 ? 283 GLU b N 1 ? ? +31287 ATOM C CA . GLU V 2 282 ? 38.009 25.878 -37.150 1.00 62.28 ? 283 GLU b CA 1 ? ? +31288 ATOM C CB . GLU V 2 282 ? 38.514 24.467 -36.824 1.00 61.93 ? 283 GLU b CB 1 ? ? +31289 ATOM C CG . GLU V 2 282 ? 39.553 23.932 -37.796 1.00 62.32 ? 283 GLU b CG 1 ? ? +31290 ATOM C CD . GLU V 2 282 ? 40.796 24.780 -37.974 1.00 63.31 ? 283 GLU b CD 1 ? ? +31291 ATOM O OE1 . GLU V 2 282 ? 41.027 25.711 -37.171 1.00 63.70 ? 283 GLU b OE1 1 ? ? +31292 ATOM O OE2 . GLU V 2 282 ? 41.532 24.524 -38.952 1.00 63.80 ? 283 GLU b OE2 1 ? ? +31293 ATOM C C . GLU V 2 282 ? 37.419 25.921 -38.554 1.00 62.44 ? 283 GLU b C 1 ? ? +31294 ATOM O O . GLU V 2 282 ? 38.086 26.331 -39.496 1.00 63.21 ? 283 GLU b O 1 ? ? +31295 ATOM N N . ILE V 2 283 ? 36.164 25.484 -38.683 1.00 62.18 ? 284 ILE b N 1 ? ? +31296 ATOM C CA . ILE V 2 283 ? 35.442 25.566 -39.940 1.00 62.34 ? 284 ILE b CA 1 ? ? +31297 ATOM C CB . ILE V 2 283 ? 34.032 24.921 -39.772 1.00 61.30 ? 284 ILE b CB 1 ? ? +31298 ATOM C CG1 . ILE V 2 283 ? 34.138 23.392 -39.705 1.00 60.50 ? 284 ILE b CG1 1 ? ? +31299 ATOM C CG2 . ILE V 2 283 ? 33.063 25.353 -40.892 1.00 61.22 ? 284 ILE b CG2 1 ? ? +31300 ATOM C CD1 . ILE V 2 283 ? 32.946 22.694 -39.026 1.00 59.85 ? 284 ILE b CD1 1 ? ? +31301 ATOM C C . ILE V 2 283 ? 35.377 27.007 -40.441 1.00 63.71 ? 284 ILE b C 1 ? ? +31302 ATOM O O . ILE V 2 283 ? 35.660 27.266 -41.608 1.00 63.95 ? 284 ILE b O 1 ? ? +31303 ATOM N N . ASN V 2 284 ? 34.999 27.933 -39.550 1.00 65.03 ? 285 ASN b N 1 ? ? +31304 ATOM C CA . ASN V 2 284 ? 34.874 29.336 -39.909 1.00 66.93 ? 285 ASN b CA 1 ? ? +31305 ATOM C CB . ASN V 2 284 ? 34.199 30.161 -38.815 1.00 67.71 ? 285 ASN b CB 1 ? ? +31306 ATOM C CG . ASN V 2 284 ? 32.698 29.912 -38.695 1.00 68.22 ? 285 ASN b CG 1 ? ? +31307 ATOM O OD1 . ASN V 2 284 ? 32.026 29.367 -39.583 1.00 68.46 ? 285 ASN b OD1 1 ? ? +31308 ATOM N ND2 . ASN V 2 284 ? 32.108 30.316 -37.585 1.00 68.90 ? 285 ASN b ND2 1 ? ? +31309 ATOM C C . ASN V 2 284 ? 36.234 29.931 -40.236 1.00 68.25 ? 285 ASN b C 1 ? ? +31310 ATOM O O . ASN V 2 284 ? 36.332 30.703 -41.176 1.00 69.18 ? 285 ASN b O 1 ? ? +31311 ATOM N N . ARG V 2 285 ? 37.263 29.562 -39.464 1.00 69.18 ? 286 ARG b N 1 ? ? +31312 ATOM C CA . ARG V 2 285 ? 38.633 29.971 -39.746 1.00 70.40 ? 286 ARG b CA 1 ? ? +31313 ATOM C CB . ARG V 2 285 ? 39.622 29.359 -38.724 1.00 71.19 ? 286 ARG b CB 1 ? ? +31314 ATOM C CG . ARG V 2 285 ? 41.046 29.904 -38.864 1.00 73.36 ? 286 ARG b CG 1 ? ? +31315 ATOM C CD . ARG V 2 285 ? 42.138 29.062 -38.182 1.00 74.36 ? 286 ARG b CD 1 ? ? +31316 ATOM N NE . ARG V 2 285 ? 42.332 27.755 -38.803 1.00 74.91 ? 286 ARG b NE 1 ? ? +31317 ATOM C CZ . ARG V 2 285 ? 42.903 27.538 -39.984 1.00 75.79 ? 286 ARG b CZ 1 ? ? +31318 ATOM N NH1 . ARG V 2 285 ? 43.547 28.495 -40.629 1.00 77.39 ? 286 ARG b NH1 1 ? ? +31319 ATOM N NH2 . ARG V 2 285 ? 42.861 26.316 -40.510 1.00 75.21 ? 286 ARG b NH2 1 ? ? +31320 ATOM C C . ARG V 2 285 ? 39.013 29.583 -41.174 1.00 70.47 ? 286 ARG b C 1 ? ? +31321 ATOM O O . ARG V 2 285 ? 39.509 30.415 -41.924 1.00 71.59 ? 286 ARG b O 1 ? ? +31322 ATOM N N . ARG V 2 286 ? 38.748 28.330 -41.561 1.00 69.96 ? 287 ARG b N 1 ? ? +31323 ATOM C CA . ARG V 2 286 ? 39.087 27.857 -42.896 1.00 70.42 ? 287 ARG b CA 1 ? ? +31324 ATOM C CB . ARG V 2 286 ? 38.816 26.361 -43.023 1.00 69.51 ? 287 ARG b CB 1 ? ? +31325 ATOM C CG . ARG V 2 286 ? 39.987 25.516 -42.589 1.00 69.32 ? 287 ARG b CG 1 ? ? +31326 ATOM C CD . ARG V 2 286 ? 39.671 24.040 -42.558 1.00 68.49 ? 287 ARG b CD 1 ? ? +31327 ATOM N NE . ARG V 2 286 ? 40.511 23.358 -41.581 1.00 68.44 ? 287 ARG b NE 1 ? ? +31328 ATOM C CZ . ARG V 2 286 ? 41.020 22.142 -41.712 1.00 68.20 ? 287 ARG b CZ 1 ? ? +31329 ATOM N NH1 . ARG V 2 286 ? 40.980 21.494 -42.865 1.00 68.06 ? 287 ARG b NH1 1 ? ? +31330 ATOM N NH2 . ARG V 2 286 ? 41.583 21.562 -40.655 1.00 68.27 ? 287 ARG b NH2 1 ? ? +31331 ATOM C C . ARG V 2 286 ? 38.347 28.609 -44.001 1.00 71.34 ? 287 ARG b C 1 ? ? +31332 ATOM O O . ARG V 2 286 ? 38.961 29.047 -44.969 1.00 72.54 ? 287 ARG b O 1 ? ? +31333 ATOM N N . VAL V 2 287 ? 37.031 28.759 -43.843 1.00 71.58 ? 288 VAL b N 1 ? ? +31334 ATOM C CA . VAL V 2 287 ? 36.218 29.492 -44.801 1.00 72.39 ? 288 VAL b CA 1 ? ? +31335 ATOM C CB . VAL V 2 287 ? 34.707 29.407 -44.409 1.00 71.10 ? 288 VAL b CB 1 ? ? +31336 ATOM C CG1 . VAL V 2 287 ? 33.854 30.378 -45.213 1.00 71.35 ? 288 VAL b CG1 1 ? ? +31337 ATOM C CG2 . VAL V 2 287 ? 34.183 27.993 -44.564 1.00 69.67 ? 288 VAL b CG2 1 ? ? +31338 ATOM C C . VAL V 2 287 ? 36.693 30.937 -44.990 1.00 74.39 ? 288 VAL b C 1 ? ? +31339 ATOM O O . VAL V 2 287 ? 36.723 31.413 -46.118 1.00 75.16 ? 288 VAL b O 1 ? ? +31340 ATOM N N . GLN V 2 288 ? 37.054 31.627 -43.896 1.00 76.44 ? 289 GLN b N 1 ? ? +31341 ATOM C CA . GLN V 2 288 ? 37.592 32.981 -43.962 1.00 79.00 ? 289 GLN b CA 1 ? ? +31342 ATOM C CB . GLN V 2 288 ? 37.889 33.589 -42.569 1.00 80.67 ? 289 GLN b CB 1 ? ? +31343 ATOM C CG . GLN V 2 288 ? 36.716 33.630 -41.564 1.00 81.65 ? 289 GLN b CG 1 ? ? +31344 ATOM C CD . GLN V 2 288 ? 35.607 34.602 -41.901 1.00 83.91 ? 289 GLN b CD 1 ? ? +31345 ATOM O OE1 . GLN V 2 288 ? 35.852 35.750 -42.266 1.00 87.52 ? 289 GLN b OE1 1 ? ? +31346 ATOM N NE2 . GLN V 2 288 ? 34.343 34.177 -41.770 1.00 84.01 ? 289 GLN b NE2 1 ? ? +31347 ATOM C C . GLN V 2 288 ? 38.893 33.018 -44.760 1.00 79.90 ? 289 GLN b C 1 ? ? +31348 ATOM O O . GLN V 2 288 ? 39.092 33.907 -45.583 1.00 80.78 ? 289 GLN b O 1 ? ? +31349 ATOM N N . ALA V 2 289 ? 39.787 32.063 -44.483 1.00 79.91 ? 290 ALA b N 1 ? ? +31350 ATOM C CA . ALA V 2 289 ? 41.049 31.949 -45.196 1.00 80.80 ? 290 ALA b CA 1 ? ? +31351 ATOM C CB . ALA V 2 289 ? 41.856 30.783 -44.651 1.00 80.01 ? 290 ALA b CB 1 ? ? +31352 ATOM C C . ALA V 2 289 ? 40.823 31.793 -46.700 1.00 81.62 ? 290 ALA b C 1 ? ? +31353 ATOM O O . ALA V 2 289 ? 41.559 32.360 -47.506 1.00 82.24 ? 290 ALA b O 1 ? ? +31354 ATOM N N . SER V 2 290 ? 39.792 31.026 -47.076 1.00 81.80 ? 291 SER b N 1 ? ? +31355 ATOM C CA . SER V 2 290 ? 39.430 30.877 -48.478 1.00 81.96 ? 291 SER b CA 1 ? ? +31356 ATOM C CB . SER V 2 290 ? 38.438 29.737 -48.670 1.00 80.28 ? 291 SER b CB 1 ? ? +31357 ATOM O OG . SER V 2 290 ? 39.126 28.502 -48.703 1.00 78.98 ? 291 SER b OG 1 ? ? +31358 ATOM C C . SER V 2 290 ? 38.867 32.167 -49.072 1.00 83.14 ? 291 SER b C 1 ? ? +31359 ATOM O O . SER V 2 290 ? 39.305 32.595 -50.136 1.00 84.20 ? 291 SER b O 1 ? ? +31360 ATOM N N . LEU V 2 291 ? 37.900 32.778 -48.376 1.00 82.81 ? 292 LEU b N 1 ? ? +31361 ATOM C CA . LEU V 2 291 ? 37.297 34.023 -48.825 1.00 83.49 ? 292 LEU b CA 1 ? ? +31362 ATOM C CB . LEU V 2 291 ? 36.236 34.517 -47.828 1.00 82.09 ? 292 LEU b CB 1 ? ? +31363 ATOM C CG . LEU V 2 291 ? 34.963 33.691 -47.721 1.00 80.71 ? 292 LEU b CG 1 ? ? +31364 ATOM C CD1 . LEU V 2 291 ? 33.974 34.364 -46.805 1.00 80.45 ? 292 LEU b CD1 1 ? ? +31365 ATOM C CD2 . LEU V 2 291 ? 34.316 33.454 -49.083 1.00 80.49 ? 292 LEU b CD2 1 ? ? +31366 ATOM C C . LEU V 2 291 ? 38.354 35.105 -49.017 1.00 85.44 ? 292 LEU b C 1 ? ? +31367 ATOM O O . LEU V 2 291 ? 38.363 35.767 -50.050 1.00 85.99 ? 292 LEU b O 1 ? ? +31368 ATOM N N . ALA V 2 292 ? 39.242 35.253 -48.023 1.00 87.05 ? 293 ALA b N 1 ? ? +31369 ATOM C CA . ALA V 2 292 ? 40.331 36.221 -48.066 1.00 88.89 ? 293 ALA b CA 1 ? ? +31370 ATOM C CB . ALA V 2 292 ? 41.158 36.141 -46.781 1.00 88.83 ? 293 ALA b CB 1 ? ? +31371 ATOM C C . ALA V 2 292 ? 41.254 36.054 -49.274 1.00 89.74 ? 293 ALA b C 1 ? ? +31372 ATOM O O . ALA V 2 292 ? 41.828 37.031 -49.743 1.00 91.73 ? 293 ALA b O 1 ? ? +31373 ATOM N N . SER V 2 293 ? 41.407 34.819 -49.767 1.00 89.72 ? 294 SER b N 1 ? ? +31374 ATOM C CA . SER V 2 293 ? 42.189 34.562 -50.966 1.00 90.86 ? 294 SER b CA 1 ? ? +31375 ATOM C CB . SER V 2 293 ? 42.974 33.265 -50.811 1.00 90.67 ? 294 SER b CB 1 ? ? +31376 ATOM O OG . SER V 2 293 ? 42.086 32.161 -50.821 1.00 91.28 ? 294 SER b OG 1 ? ? +31377 ATOM C C . SER V 2 293 ? 41.327 34.501 -52.231 1.00 91.90 ? 294 SER b C 1 ? ? +31378 ATOM O O . SER V 2 293 ? 41.726 33.902 -53.225 1.00 91.84 ? 294 SER b O 1 ? ? +31379 ATOM N N . GLY V 2 294 ? 40.127 35.097 -52.176 1.00 92.95 ? 295 GLY b N 1 ? ? +31380 ATOM C CA . GLY V 2 294 ? 39.319 35.348 -53.361 1.00 92.65 ? 295 GLY b CA 1 ? ? +31381 ATOM C C . GLY V 2 294 ? 38.296 34.284 -53.763 1.00 91.03 ? 295 GLY b C 1 ? ? +31382 ATOM O O . GLY V 2 294 ? 37.526 34.500 -54.697 1.00 90.53 ? 295 GLY b O 1 ? ? +31383 ATOM N N . ALA V 2 295 ? 38.280 33.139 -53.071 1.00 89.24 ? 296 ALA b N 1 ? ? +31384 ATOM C CA . ALA V 2 295 ? 37.347 32.074 -53.411 1.00 87.80 ? 296 ALA b CA 1 ? ? +31385 ATOM C CB . ALA V 2 295 ? 37.643 30.811 -52.616 1.00 87.01 ? 296 ALA b CB 1 ? ? +31386 ATOM C C . ALA V 2 295 ? 35.908 32.525 -53.168 1.00 85.93 ? 296 ALA b C 1 ? ? +31387 ATOM O O . ALA V 2 295 ? 35.659 33.373 -52.319 1.00 86.59 ? 296 ALA b O 1 ? ? +31388 ATOM N N . THR V 2 296 ? 34.963 31.969 -53.936 1.00 84.40 ? 297 THR b N 1 ? ? +31389 ATOM C CA . THR V 2 296 ? 33.559 32.293 -53.740 1.00 83.45 ? 297 THR b CA 1 ? ? +31390 ATOM C CB . THR V 2 296 ? 32.743 32.089 -55.023 1.00 83.91 ? 297 THR b CB 1 ? ? +31391 ATOM O OG1 . THR V 2 296 ? 31.409 32.507 -54.771 1.00 85.91 ? 297 THR b OG1 1 ? ? +31392 ATOM C CG2 . THR V 2 296 ? 32.720 30.675 -55.497 1.00 82.97 ? 297 THR b CG2 1 ? ? +31393 ATOM C C . THR V 2 296 ? 33.022 31.494 -52.555 1.00 81.16 ? 297 THR b C 1 ? ? +31394 ATOM O O . THR V 2 296 ? 33.690 30.610 -52.028 1.00 79.80 ? 297 THR b O 1 ? ? +31395 ATOM N N . LEU V 2 297 ? 31.801 31.827 -52.135 1.00 80.40 ? 298 LEU b N 1 ? ? +31396 ATOM C CA . LEU V 2 297 ? 31.209 31.234 -50.949 1.00 78.82 ? 298 LEU b CA 1 ? ? +31397 ATOM C CB . LEU V 2 297 ? 29.886 31.950 -50.649 1.00 78.91 ? 298 LEU b CB 1 ? ? +31398 ATOM C CG . LEU V 2 297 ? 29.500 32.142 -49.177 1.00 78.84 ? 298 LEU b CG 1 ? ? +31399 ATOM C CD1 . LEU V 2 297 ? 30.668 32.635 -48.328 1.00 79.30 ? 298 LEU b CD1 1 ? ? +31400 ATOM C CD2 . LEU V 2 297 ? 28.366 33.130 -49.049 1.00 79.02 ? 298 LEU b CD2 1 ? ? +31401 ATOM C C . LEU V 2 297 ? 31.028 29.732 -51.160 1.00 77.43 ? 298 LEU b C 1 ? ? +31402 ATOM O O . LEU V 2 297 ? 31.254 28.945 -50.243 1.00 76.42 ? 298 LEU b O 1 ? ? +31403 ATOM N N . GLU V 2 298 ? 30.698 29.345 -52.396 1.00 77.43 ? 299 GLU b N 1 ? ? +31404 ATOM C CA . GLU V 2 298 ? 30.505 27.948 -52.752 1.00 77.16 ? 299 GLU b CA 1 ? ? +31405 ATOM C CB . GLU V 2 298 ? 29.875 27.853 -54.146 1.00 80.29 ? 299 GLU b CB 1 ? ? +31406 ATOM C CG . GLU V 2 298 ? 28.580 28.653 -54.256 1.00 83.85 ? 299 GLU b CG 1 ? ? +31407 ATOM C CD . GLU V 2 298 ? 27.793 28.461 -55.539 1.00 87.99 ? 299 GLU b CD 1 ? ? +31408 ATOM O OE1 . GLU V 2 298 ? 28.273 27.711 -56.424 1.00 91.93 ? 299 GLU b OE1 1 ? ? +31409 ATOM O OE2 . GLU V 2 298 ? 26.688 29.047 -55.651 1.00 89.83 ? 299 GLU b OE2 1 ? ? +31410 ATOM C C . GLU V 2 298 ? 31.814 27.165 -52.707 1.00 75.07 ? 299 GLU b C 1 ? ? +31411 ATOM O O . GLU V 2 298 ? 31.850 26.036 -52.225 1.00 73.76 ? 299 GLU b O 1 ? ? +31412 ATOM N N . GLU V 2 299 ? 32.888 27.785 -53.204 1.00 74.07 ? 300 GLU b N 1 ? ? +31413 ATOM C CA . GLU V 2 299 ? 34.201 27.167 -53.215 1.00 73.02 ? 300 GLU b CA 1 ? ? +31414 ATOM C CB . GLU V 2 299 ? 35.168 28.021 -54.049 1.00 75.19 ? 300 GLU b CB 1 ? ? +31415 ATOM C CG . GLU V 2 299 ? 34.853 28.030 -55.540 1.00 76.44 ? 300 GLU b CG 1 ? ? +31416 ATOM C CD . GLU V 2 299 ? 35.641 29.031 -56.374 1.00 78.75 ? 300 GLU b CD 1 ? ? +31417 ATOM O OE1 . GLU V 2 299 ? 36.199 29.996 -55.806 1.00 79.73 ? 300 GLU b OE1 1 ? ? +31418 ATOM O OE2 . GLU V 2 299 ? 35.735 28.820 -57.607 1.00 80.81 ? 300 GLU b OE2 1 ? ? +31419 ATOM C C . GLU V 2 299 ? 34.718 26.989 -51.790 1.00 70.53 ? 300 GLU b C 1 ? ? +31420 ATOM O O . GLU V 2 299 ? 35.217 25.922 -51.440 1.00 69.60 ? 300 GLU b O 1 ? ? +31421 ATOM N N . ALA V 2 300 ? 34.571 28.039 -50.971 1.00 69.34 ? 301 ALA b N 1 ? ? +31422 ATOM C CA . ALA V 2 300 ? 35.079 28.043 -49.608 1.00 68.22 ? 301 ALA b CA 1 ? ? +31423 ATOM C CB . ALA V 2 300 ? 34.829 29.388 -48.959 1.00 68.57 ? 301 ALA b CB 1 ? ? +31424 ATOM C C . ALA V 2 300 ? 34.466 26.931 -48.762 1.00 66.85 ? 301 ALA b C 1 ? ? +31425 ATOM O O . ALA V 2 300 ? 35.195 26.209 -48.089 1.00 67.00 ? 301 ALA b O 1 ? ? +31426 ATOM N N . TRP V 2 301 ? 33.129 26.799 -48.807 1.00 65.41 ? 302 TRP b N 1 ? ? +31427 ATOM C CA . TRP V 2 301 ? 32.417 25.767 -48.067 1.00 63.54 ? 302 TRP b CA 1 ? ? +31428 ATOM C CB . TRP V 2 301 ? 30.910 26.134 -47.934 1.00 62.32 ? 302 TRP b CB 1 ? ? +31429 ATOM C CG . TRP V 2 301 ? 30.643 27.189 -46.887 1.00 61.51 ? 302 TRP b CG 1 ? ? +31430 ATOM C CD1 . TRP V 2 301 ? 30.333 28.501 -47.096 1.00 61.71 ? 302 TRP b CD1 1 ? ? +31431 ATOM N NE1 . TRP V 2 301 ? 30.178 29.148 -45.894 1.00 61.41 ? 302 TRP b NE1 1 ? ? +31432 ATOM C CE2 . TRP V 2 301 ? 30.383 28.255 -44.881 1.00 60.62 ? 302 TRP b CE2 1 ? ? +31433 ATOM C CZ2 . TRP V 2 301 ? 30.335 28.431 -43.509 1.00 60.25 ? 302 TRP b CZ2 1 ? ? +31434 ATOM C CH2 . TRP V 2 301 ? 30.584 27.341 -42.727 1.00 59.64 ? 302 TRP b CH2 1 ? ? +31435 ATOM C CZ3 . TRP V 2 301 ? 30.880 26.095 -43.280 1.00 59.28 ? 302 TRP b CZ3 1 ? ? +31436 ATOM C CE3 . TRP V 2 301 ? 30.926 25.916 -44.642 1.00 59.59 ? 302 TRP b CE3 1 ? ? +31437 ATOM C CD2 . TRP V 2 301 ? 30.675 27.009 -45.471 1.00 60.39 ? 302 TRP b CD2 1 ? ? +31438 ATOM C C . TRP V 2 301 ? 32.592 24.370 -48.667 1.00 63.50 ? 302 TRP b C 1 ? ? +31439 ATOM O O . TRP V 2 301 ? 32.621 23.379 -47.937 1.00 62.94 ? 302 TRP b O 1 ? ? +31440 ATOM N N . SER V 2 302 ? 32.719 24.284 -49.997 1.00 64.19 ? 303 SER b N 1 ? ? +31441 ATOM C CA . SER V 2 302 ? 32.982 23.010 -50.651 1.00 63.93 ? 303 SER b CA 1 ? ? +31442 ATOM C CB . SER V 2 302 ? 32.902 23.149 -52.166 1.00 64.33 ? 303 SER b CB 1 ? ? +31443 ATOM O OG . SER V 2 302 ? 31.577 23.423 -52.576 1.00 64.40 ? 303 SER b OG 1 ? ? +31444 ATOM C C . SER V 2 302 ? 34.335 22.406 -50.281 1.00 64.17 ? 303 SER b C 1 ? ? +31445 ATOM O O . SER V 2 302 ? 34.493 21.191 -50.346 1.00 63.85 ? 303 SER b O 1 ? ? +31446 ATOM N N . ALA V 2 303 ? 35.298 23.257 -49.898 1.00 64.94 ? 304 ALA b N 1 ? ? +31447 ATOM C CA . ALA V 2 303 ? 36.612 22.798 -49.480 1.00 65.15 ? 304 ALA b CA 1 ? ? +31448 ATOM C CB . ALA V 2 303 ? 37.619 23.931 -49.608 1.00 66.00 ? 304 ALA b CB 1 ? ? +31449 ATOM C C . ALA V 2 303 ? 36.628 22.244 -48.055 1.00 64.91 ? 304 ALA b C 1 ? ? +31450 ATOM O O . ALA V 2 303 ? 37.598 21.611 -47.655 1.00 65.39 ? 304 ALA b O 1 ? ? +31451 ATOM N N . ILE V 2 304 ? 35.559 22.474 -47.285 1.00 64.52 ? 305 ILE b N 1 ? ? +31452 ATOM C CA . ILE V 2 304 ? 35.475 21.931 -45.941 1.00 64.08 ? 305 ILE b CA 1 ? ? +31453 ATOM C CB . ILE V 2 304 ? 34.320 22.575 -45.131 1.00 63.61 ? 305 ILE b CB 1 ? ? +31454 ATOM C CG1 . ILE V 2 304 ? 34.539 24.085 -44.974 1.00 64.32 ? 305 ILE b CG1 1 ? ? +31455 ATOM C CG2 . ILE V 2 304 ? 34.138 21.914 -43.759 1.00 62.89 ? 305 ILE b CG2 1 ? ? +31456 ATOM C CD1 . ILE V 2 304 ? 35.807 24.467 -44.166 1.00 64.95 ? 305 ILE b CD1 1 ? ? +31457 ATOM C C . ILE V 2 304 ? 35.334 20.416 -46.055 1.00 63.72 ? 305 ILE b C 1 ? ? +31458 ATOM O O . ILE V 2 304 ? 34.429 19.935 -46.733 1.00 63.32 ? 305 ILE b O 1 ? ? +31459 ATOM N N . PRO V 2 305 ? 36.231 19.619 -45.430 1.00 63.88 ? 306 PRO b N 1 ? ? +31460 ATOM C CA . PRO V 2 305 ? 36.086 18.163 -45.450 1.00 63.36 ? 306 PRO b CA 1 ? ? +31461 ATOM C CB . PRO V 2 305 ? 37.383 17.665 -44.811 1.00 63.36 ? 306 PRO b CB 1 ? ? +31462 ATOM C CG . PRO V 2 305 ? 37.919 18.823 -44.040 1.00 64.08 ? 306 PRO b CG 1 ? ? +31463 ATOM C CD . PRO V 2 305 ? 37.408 20.075 -44.673 1.00 64.35 ? 306 PRO b CD 1 ? ? +31464 ATOM C C . PRO V 2 305 ? 34.836 17.727 -44.688 1.00 62.77 ? 306 PRO b C 1 ? ? +31465 ATOM O O . PRO V 2 305 ? 34.465 18.345 -43.693 1.00 62.47 ? 306 PRO b O 1 ? ? +31466 ATOM N N . GLU V 2 306 ? 34.191 16.663 -45.174 1.00 62.84 ? 307 GLU b N 1 ? ? +31467 ATOM C CA . GLU V 2 306 ? 32.971 16.163 -44.557 1.00 62.99 ? 307 GLU b CA 1 ? ? +31468 ATOM C CB . GLU V 2 306 ? 32.364 14.990 -45.343 1.00 64.11 ? 307 GLU b CB 1 ? ? +31469 ATOM C CG . GLU V 2 306 ? 31.517 15.378 -46.531 1.00 66.23 ? 307 GLU b CG 1 ? ? +31470 ATOM C CD . GLU V 2 306 ? 30.600 14.246 -46.966 1.00 68.13 ? 307 GLU b CD 1 ? ? +31471 ATOM O OE1 . GLU V 2 306 ? 31.071 13.087 -47.013 1.00 71.70 ? 307 GLU b OE1 1 ? ? +31472 ATOM O OE2 . GLU V 2 306 ? 29.414 14.506 -47.263 1.00 67.59 ? 307 GLU b OE2 1 ? ? +31473 ATOM C C . GLU V 2 306 ? 33.200 15.672 -43.131 1.00 61.58 ? 307 GLU b C 1 ? ? +31474 ATOM O O . GLU V 2 306 ? 32.266 15.660 -42.327 1.00 61.90 ? 307 GLU b O 1 ? ? +31475 ATOM N N . LYS V 2 307 ? 34.433 15.229 -42.847 1.00 60.12 ? 308 LYS b N 1 ? ? +31476 ATOM C CA . LYS V 2 307 ? 34.759 14.643 -41.560 1.00 58.41 ? 308 LYS b CA 1 ? ? +31477 ATOM C CB . LYS V 2 307 ? 36.131 13.974 -41.630 1.00 58.71 ? 308 LYS b CB 1 ? ? +31478 ATOM C CG . LYS V 2 307 ? 36.419 13.046 -40.476 1.00 58.25 ? 308 LYS b CG 1 ? ? +31479 ATOM C CD . LYS V 2 307 ? 37.791 12.483 -40.557 1.00 58.39 ? 308 LYS b CD 1 ? ? +31480 ATOM C CE . LYS V 2 307 ? 38.024 11.444 -39.514 1.00 57.95 ? 308 LYS b CE 1 ? ? +31481 ATOM N NZ . LYS V 2 307 ? 39.354 10.839 -39.676 1.00 58.34 ? 308 LYS b NZ 1 ? ? +31482 ATOM C C . LYS V 2 307 ? 34.721 15.737 -40.504 1.00 57.61 ? 308 LYS b C 1 ? ? +31483 ATOM O O . LYS V 2 307 ? 34.208 15.544 -39.411 1.00 57.20 ? 308 LYS b O 1 ? ? +31484 ATOM N N . LEU V 2 308 ? 35.249 16.904 -40.864 1.00 57.58 ? 309 LEU b N 1 ? ? +31485 ATOM C CA . LEU V 2 308 ? 35.284 18.034 -39.953 1.00 57.24 ? 309 LEU b CA 1 ? ? +31486 ATOM C CB . LEU V 2 308 ? 36.171 19.144 -40.534 1.00 57.91 ? 309 LEU b CB 1 ? ? +31487 ATOM C CG . LEU V 2 308 ? 36.299 20.396 -39.689 1.00 58.39 ? 309 LEU b CG 1 ? ? +31488 ATOM C CD1 . LEU V 2 308 ? 36.971 20.108 -38.366 1.00 58.39 ? 309 LEU b CD1 1 ? ? +31489 ATOM C CD2 . LEU V 2 308 ? 37.069 21.445 -40.420 1.00 59.37 ? 309 LEU b CD2 1 ? ? +31490 ATOM C C . LEU V 2 308 ? 33.872 18.554 -39.681 1.00 56.07 ? 309 LEU b C 1 ? ? +31491 ATOM O O . LEU V 2 308 ? 33.545 18.906 -38.551 1.00 55.62 ? 309 LEU b O 1 ? ? +31492 ATOM N N . ALA V 2 309 ? 33.060 18.623 -40.735 1.00 55.31 ? 310 ALA b N 1 ? ? +31493 ATOM C CA . ALA V 2 309 ? 31.690 19.091 -40.610 1.00 54.75 ? 310 ALA b CA 1 ? ? +31494 ATOM C CB . ALA V 2 309 ? 31.016 19.171 -41.968 1.00 54.77 ? 310 ALA b CB 1 ? ? +31495 ATOM C C . ALA V 2 309 ? 30.897 18.171 -39.689 1.00 53.54 ? 310 ALA b C 1 ? ? +31496 ATOM O O . ALA V 2 309 ? 30.087 18.652 -38.903 1.00 53.27 ? 310 ALA b O 1 ? ? +31497 ATOM N N . PHE V 2 310 ? 31.185 16.863 -39.776 1.00 52.73 ? 311 PHE b N 1 ? ? +31498 ATOM C CA . PHE V 2 310 ? 30.474 15.849 -39.018 1.00 51.78 ? 311 PHE b CA 1 ? ? +31499 ATOM C CB . PHE V 2 310 ? 30.872 14.451 -39.505 1.00 51.44 ? 311 PHE b CB 1 ? ? +31500 ATOM C CG . PHE V 2 310 ? 29.947 13.341 -39.044 1.00 50.66 ? 311 PHE b CG 1 ? ? +31501 ATOM C CD1 . PHE V 2 310 ? 28.566 13.479 -39.144 1.00 50.42 ? 311 PHE b CD1 1 ? ? +31502 ATOM C CD2 . PHE V 2 310 ? 30.454 12.151 -38.558 1.00 50.25 ? 311 PHE b CD2 1 ? ? +31503 ATOM C CE1 . PHE V 2 310 ? 27.722 12.452 -38.753 1.00 49.81 ? 311 PHE b CE1 1 ? ? +31504 ATOM C CE2 . PHE V 2 310 ? 29.614 11.128 -38.168 1.00 49.70 ? 311 PHE b CE2 1 ? ? +31505 ATOM C CZ . PHE V 2 310 ? 28.250 11.278 -38.269 1.00 49.52 ? 311 PHE b CZ 1 ? ? +31506 ATOM C C . PHE V 2 310 ? 30.688 15.951 -37.511 1.00 51.49 ? 311 PHE b C 1 ? ? +31507 ATOM O O . PHE V 2 310 ? 29.780 15.616 -36.738 1.00 50.97 ? 311 PHE b O 1 ? ? +31508 ATOM N N . TYR V 2 311 ? 31.895 16.386 -37.116 1.00 51.61 ? 312 TYR b N 1 ? ? +31509 ATOM C CA . TYR V 2 311 ? 32.190 16.683 -35.725 1.00 51.44 ? 312 TYR b CA 1 ? ? +31510 ATOM C CB . TYR V 2 311 ? 33.694 17.006 -35.532 1.00 52.04 ? 312 TYR b CB 1 ? ? +31511 ATOM C CG . TYR V 2 311 ? 34.649 15.846 -35.663 1.00 51.94 ? 312 TYR b CG 1 ? ? +31512 ATOM C CD1 . TYR V 2 311 ? 34.404 14.643 -35.022 1.00 51.38 ? 312 TYR b CD1 1 ? ? +31513 ATOM C CD2 . TYR V 2 311 ? 35.839 15.976 -36.372 1.00 52.52 ? 312 TYR b CD2 1 ? ? +31514 ATOM C CE1 . TYR V 2 311 ? 35.289 13.580 -35.122 1.00 51.36 ? 312 TYR b CE1 1 ? ? +31515 ATOM C CE2 . TYR V 2 311 ? 36.739 14.921 -36.470 1.00 52.49 ? 312 TYR b CE2 1 ? ? +31516 ATOM C CZ . TYR V 2 311 ? 36.465 13.730 -35.838 1.00 51.90 ? 312 TYR b CZ 1 ? ? +31517 ATOM O OH . TYR V 2 311 ? 37.344 12.691 -35.937 1.00 51.85 ? 312 TYR b OH 1 ? ? +31518 ATOM C C . TYR V 2 311 ? 31.397 17.874 -35.189 1.00 51.34 ? 312 TYR b C 1 ? ? +31519 ATOM O O . TYR V 2 311 ? 31.181 17.984 -33.987 1.00 51.10 ? 312 TYR b O 1 ? ? +31520 ATOM N N . ASP V 2 312 ? 31.015 18.800 -36.071 1.00 51.50 ? 313 ASP b N 1 ? ? +31521 ATOM C CA . ASP V 2 312 ? 30.262 19.971 -35.658 1.00 51.64 ? 313 ASP b CA 1 ? ? +31522 ATOM C CB . ASP V 2 312 ? 30.595 21.129 -36.598 1.00 52.25 ? 313 ASP b CB 1 ? ? +31523 ATOM C CG . ASP V 2 312 ? 30.247 22.492 -36.073 1.00 52.65 ? 313 ASP b CG 1 ? ? +31524 ATOM O OD1 . ASP V 2 312 ? 30.329 22.689 -34.853 1.00 52.64 ? 313 ASP b OD1 1 ? ? +31525 ATOM O OD2 . ASP V 2 312 ? 29.968 23.393 -36.896 1.00 53.06 ? 313 ASP b OD2 1 ? ? +31526 ATOM C C . ASP V 2 312 ? 28.756 19.687 -35.631 1.00 51.14 ? 313 ASP b C 1 ? ? +31527 ATOM O O . ASP V 2 312 ? 27.955 20.467 -36.138 1.00 51.28 ? 313 ASP b O 1 ? ? +31528 ATOM N N . TYR V 2 313 ? 28.369 18.567 -35.013 1.00 50.52 ? 314 TYR b N 1 ? ? +31529 ATOM C CA . TYR V 2 313 ? 26.991 18.119 -35.034 1.00 50.00 ? 314 TYR b CA 1 ? ? +31530 ATOM C CB . TYR V 2 313 ? 26.768 17.193 -36.247 1.00 49.75 ? 314 TYR b CB 1 ? ? +31531 ATOM C CG . TYR V 2 313 ? 25.547 16.311 -36.145 1.00 49.17 ? 314 TYR b CG 1 ? ? +31532 ATOM C CD1 . TYR V 2 313 ? 24.271 16.858 -36.057 1.00 49.10 ? 314 TYR b CD1 1 ? ? +31533 ATOM C CD2 . TYR V 2 313 ? 25.667 14.928 -36.123 1.00 48.71 ? 314 TYR b CD2 1 ? ? +31534 ATOM C CE1 . TYR V 2 313 ? 23.139 16.047 -35.962 1.00 48.55 ? 314 TYR b CE1 1 ? ? +31535 ATOM C CE2 . TYR V 2 313 ? 24.552 14.110 -36.032 1.00 48.21 ? 314 TYR b CE2 1 ? ? +31536 ATOM C CZ . TYR V 2 313 ? 23.282 14.672 -35.944 1.00 48.14 ? 314 TYR b CZ 1 ? ? +31537 ATOM O OH . TYR V 2 313 ? 22.173 13.860 -35.825 1.00 47.58 ? 314 TYR b OH 1 ? ? +31538 ATOM C C . TYR V 2 313 ? 26.660 17.464 -33.695 1.00 49.56 ? 314 TYR b C 1 ? ? +31539 ATOM O O . TYR V 2 313 ? 27.350 16.556 -33.248 1.00 49.32 ? 314 TYR b O 1 ? ? +31540 ATOM N N . ILE V 2 314 ? 25.587 17.940 -33.049 1.00 49.46 ? 315 ILE b N 1 ? ? +31541 ATOM C CA . ILE V 2 314 ? 25.305 17.581 -31.669 1.00 49.11 ? 315 ILE b CA 1 ? ? +31542 ATOM C CB . ILE V 2 314 ? 24.179 18.452 -31.091 1.00 49.22 ? 315 ILE b CB 1 ? ? +31543 ATOM C CG1 . ILE V 2 314 ? 24.310 18.609 -29.580 1.00 49.23 ? 315 ILE b CG1 1 ? ? +31544 ATOM C CG2 . ILE V 2 314 ? 22.779 17.921 -31.482 1.00 48.80 ? 315 ILE b CG2 1 ? ? +31545 ATOM C CD1 . ILE V 2 314 ? 23.216 19.536 -28.971 1.00 49.32 ? 315 ILE b CD1 1 ? ? +31546 ATOM C C . ILE V 2 314 ? 24.961 16.105 -31.516 1.00 48.44 ? 315 ILE b C 1 ? ? +31547 ATOM O O . ILE V 2 314 ? 25.023 15.559 -30.421 1.00 48.20 ? 315 ILE b O 1 ? ? +31548 ATOM N N . GLY V 2 315 ? 24.607 15.450 -32.617 1.00 48.21 ? 316 GLY b N 1 ? ? +31549 ATOM C CA . GLY V 2 315 ? 24.328 14.026 -32.575 1.00 47.76 ? 316 GLY b CA 1 ? ? +31550 ATOM C C . GLY V 2 315 ? 25.550 13.153 -32.294 1.00 47.80 ? 316 GLY b C 1 ? ? +31551 ATOM O O . GLY V 2 315 ? 25.392 11.965 -32.034 1.00 47.49 ? 316 GLY b O 1 ? ? +31552 ATOM N N . ASN V 2 316 ? 26.754 13.736 -32.387 1.00 48.31 ? 317 ASN b N 1 ? ? +31553 ATOM C CA . ASN V 2 316 ? 27.979 13.058 -31.994 1.00 48.36 ? 317 ASN b CA 1 ? ? +31554 ATOM C CB . ASN V 2 316 ? 29.044 13.262 -33.038 1.00 48.87 ? 317 ASN b CB 1 ? ? +31555 ATOM C CG . ASN V 2 316 ? 28.649 12.745 -34.375 1.00 48.75 ? 317 ASN b CG 1 ? ? +31556 ATOM O OD1 . ASN V 2 316 ? 28.959 13.359 -35.402 1.00 49.24 ? 317 ASN b OD1 1 ? ? +31557 ATOM N ND2 . ASN V 2 316 ? 28.009 11.602 -34.412 1.00 48.25 ? 317 ASN b ND2 1 ? ? +31558 ATOM C C . ASN V 2 316 ? 28.516 13.540 -30.651 1.00 48.50 ? 317 ASN b C 1 ? ? +31559 ATOM O O . ASN V 2 316 ? 29.625 13.165 -30.247 1.00 48.69 ? 317 ASN b O 1 ? ? +31560 ATOM N N . ASN V 2 317 ? 27.725 14.396 -29.986 1.00 48.35 ? 318 ASN b N 1 ? ? +31561 ATOM C CA . ASN V 2 317 ? 28.048 14.893 -28.662 1.00 48.40 ? 318 ASN b CA 1 ? ? +31562 ATOM C CB . ASN V 2 317 ? 27.361 16.234 -28.411 1.00 48.69 ? 318 ASN b CB 1 ? ? +31563 ATOM C CG . ASN V 2 317 ? 27.557 16.804 -27.025 1.00 49.01 ? 318 ASN b CG 1 ? ? +31564 ATOM O OD1 . ASN V 2 317 ? 27.986 16.141 -26.070 1.00 48.97 ? 318 ASN b OD1 1 ? ? +31565 ATOM N ND2 . ASN V 2 317 ? 27.214 18.063 -26.859 1.00 49.47 ? 318 ASN b ND2 1 ? ? +31566 ATOM C C . ASN V 2 317 ? 27.632 13.814 -27.669 1.00 47.79 ? 318 ASN b C 1 ? ? +31567 ATOM O O . ASN V 2 317 ? 26.456 13.436 -27.632 1.00 47.47 ? 318 ASN b O 1 ? ? +31568 ATOM N N . PRO V 2 318 ? 28.567 13.292 -26.837 1.00 47.58 ? 319 PRO b N 1 ? ? +31569 ATOM C CA . PRO V 2 318 ? 28.269 12.175 -25.942 1.00 47.02 ? 319 PRO b CA 1 ? ? +31570 ATOM C CB . PRO V 2 318 ? 29.660 11.804 -25.409 1.00 47.28 ? 319 PRO b CB 1 ? ? +31571 ATOM C CG . PRO V 2 318 ? 30.371 13.065 -25.427 1.00 47.91 ? 319 PRO b CG 1 ? ? +31572 ATOM C CD . PRO V 2 318 ? 29.957 13.750 -26.688 1.00 48.06 ? 319 PRO b CD 1 ? ? +31573 ATOM C C . PRO V 2 318 ? 27.342 12.504 -24.776 1.00 46.72 ? 319 PRO b C 1 ? ? +31574 ATOM O O . PRO V 2 318 ? 27.047 11.629 -23.975 1.00 46.39 ? 319 PRO b O 1 ? ? +31575 ATOM N N . ALA V 2 319 ? 26.949 13.773 -24.663 1.00 46.89 ? 320 ALA b N 1 ? ? +31576 ATOM C CA . ALA V 2 319 ? 26.127 14.234 -23.566 1.00 46.85 ? 320 ALA b CA 1 ? ? +31577 ATOM C CB . ALA V 2 319 ? 26.655 15.548 -23.070 1.00 47.37 ? 320 ALA b CB 1 ? ? +31578 ATOM C C . ALA V 2 319 ? 24.663 14.377 -23.985 1.00 46.60 ? 320 ALA b C 1 ? ? +31579 ATOM O O . ALA V 2 319 ? 23.919 15.116 -23.352 1.00 46.63 ? 320 ALA b O 1 ? ? +31580 ATOM N N . LYS V 2 320 ? 24.274 13.677 -25.058 1.00 46.34 ? 321 LYS b N 1 ? ? +31581 ATOM C CA . LYS V 2 320 ? 22.951 13.798 -25.646 1.00 46.15 ? 321 LYS b CA 1 ? ? +31582 ATOM C CB . LYS V 2 320 ? 23.097 14.261 -27.101 1.00 46.36 ? 321 LYS b CB 1 ? ? +31583 ATOM C CG . LYS V 2 320 ? 23.342 15.751 -27.272 1.00 46.92 ? 321 LYS b CG 1 ? ? +31584 ATOM C CD . LYS V 2 320 ? 22.217 16.615 -26.703 1.00 47.01 ? 321 LYS b CD 1 ? ? +31585 ATOM C CE . LYS V 2 320 ? 20.864 16.244 -27.221 1.00 46.67 ? 321 LYS b CE 1 ? ? +31586 ATOM N NZ . LYS V 2 320 ? 19.839 17.107 -26.602 1.00 46.84 ? 321 LYS b NZ 1 ? ? +31587 ATOM C C . LYS V 2 320 ? 22.161 12.492 -25.608 1.00 45.62 ? 321 LYS b C 1 ? ? +31588 ATOM O O . LYS V 2 320 ? 21.116 12.376 -26.233 1.00 45.45 ? 321 LYS b O 1 ? ? +31589 ATOM N N . GLY V 2 321 ? 22.673 11.498 -24.884 1.00 45.44 ? 322 GLY b N 1 ? ? +31590 ATOM C CA . GLY V 2 321 ? 22.089 10.169 -24.890 1.00 44.93 ? 322 GLY b CA 1 ? ? +31591 ATOM C C . GLY V 2 321 ? 21.145 9.978 -23.709 1.00 44.71 ? 322 GLY b C 1 ? ? +31592 ATOM O O . GLY V 2 321 ? 20.761 10.934 -23.056 1.00 44.92 ? 322 GLY b O 1 ? ? +31593 ATOM N N . GLY V 2 322 ? 20.787 8.728 -23.439 1.00 44.36 ? 323 GLY b N 1 ? ? +31594 ATOM C CA . GLY V 2 322 ? 20.044 8.377 -22.252 1.00 44.21 ? 323 GLY b CA 1 ? ? +31595 ATOM C C . GLY V 2 322 ? 20.374 6.957 -21.814 1.00 44.04 ? 323 GLY b C 1 ? ? +31596 ATOM O O . GLY V 2 322 ? 20.779 6.123 -22.620 1.00 43.96 ? 323 GLY b O 1 ? ? +31597 ATOM N N . LEU V 2 323 ? 20.159 6.694 -20.525 1.00 44.13 ? 324 LEU b N 1 ? ? +31598 ATOM C CA . LEU V 2 323 ? 20.547 5.443 -19.894 1.00 44.04 ? 324 LEU b CA 1 ? ? +31599 ATOM C CB . LEU V 2 323 ? 20.101 5.486 -18.426 1.00 44.09 ? 324 LEU b CB 1 ? ? +31600 ATOM C CG . LEU V 2 323 ? 20.533 4.348 -17.555 1.00 44.01 ? 324 LEU b CG 1 ? ? +31601 ATOM C CD1 . LEU V 2 323 ? 22.081 4.232 -17.494 1.00 44.32 ? 324 LEU b CD1 1 ? ? +31602 ATOM C CD2 . LEU V 2 323 ? 19.991 4.521 -16.189 1.00 44.07 ? 324 LEU b CD2 1 ? ? +31603 ATOM C C . LEU V 2 323 ? 20.017 4.173 -20.556 1.00 43.76 ? 324 LEU b C 1 ? ? +31604 ATOM O O . LEU V 2 323 ? 20.748 3.184 -20.635 1.00 43.80 ? 324 LEU b O 1 ? ? +31605 ATOM N N . PHE V 2 324 ? 18.757 4.198 -21.017 1.00 43.59 ? 325 PHE b N 1 ? ? +31606 ATOM C CA . PHE V 2 324 ? 18.128 3.018 -21.588 1.00 43.22 ? 325 PHE b CA 1 ? ? +31607 ATOM C CB . PHE V 2 324 ? 16.815 2.758 -20.882 1.00 43.08 ? 325 PHE b CB 1 ? ? +31608 ATOM C CG . PHE V 2 324 ? 17.010 2.323 -19.464 1.00 43.10 ? 325 PHE b CG 1 ? ? +31609 ATOM C CD1 . PHE V 2 324 ? 17.470 1.060 -19.172 1.00 42.99 ? 325 PHE b CD1 1 ? ? +31610 ATOM C CD2 . PHE V 2 324 ? 16.751 3.180 -18.423 1.00 43.32 ? 325 PHE b CD2 1 ? ? +31611 ATOM C CE1 . PHE V 2 324 ? 17.647 0.653 -17.855 1.00 43.05 ? 325 PHE b CE1 1 ? ? +31612 ATOM C CE2 . PHE V 2 324 ? 16.948 2.779 -17.111 1.00 43.40 ? 325 PHE b CE2 1 ? ? +31613 ATOM C CZ . PHE V 2 324 ? 17.400 1.520 -16.834 1.00 43.25 ? 325 PHE b CZ 1 ? ? +31614 ATOM C C . PHE V 2 324 ? 17.920 3.125 -23.097 1.00 43.19 ? 325 PHE b C 1 ? ? +31615 ATOM O O . PHE V 2 324 ? 17.227 2.303 -23.685 1.00 42.91 ? 325 PHE b O 1 ? ? +31616 ATOM N N . ARG V 2 325 ? 18.523 4.139 -23.725 1.00 43.48 ? 326 ARG b N 1 ? ? +31617 ATOM C CA . ARG V 2 325 ? 18.540 4.194 -25.171 1.00 43.56 ? 326 ARG b CA 1 ? ? +31618 ATOM C CB . ARG V 2 325 ? 18.639 5.626 -25.668 1.00 43.71 ? 326 ARG b CB 1 ? ? +31619 ATOM C CG . ARG V 2 325 ? 17.681 6.596 -25.078 1.00 43.71 ? 326 ARG b CG 1 ? ? +31620 ATOM C CD . ARG V 2 325 ? 17.842 7.911 -25.732 1.00 43.98 ? 326 ARG b CD 1 ? ? +31621 ATOM N NE . ARG V 2 325 ? 16.936 8.931 -25.221 1.00 44.09 ? 326 ARG b NE 1 ? ? +31622 ATOM C CZ . ARG V 2 325 ? 17.094 10.222 -25.443 1.00 44.40 ? 326 ARG b CZ 1 ? ? +31623 ATOM N NH1 . ARG V 2 325 ? 18.216 10.697 -25.958 1.00 44.72 ? 326 ARG b NH1 1 ? ? +31624 ATOM N NH2 . ARG V 2 325 ? 16.130 11.065 -25.099 1.00 44.50 ? 326 ARG b NH2 1 ? ? +31625 ATOM C C . ARG V 2 325 ? 19.757 3.379 -25.603 1.00 43.92 ? 326 ARG b C 1 ? ? +31626 ATOM O O . ARG V 2 325 ? 20.880 3.856 -25.493 1.00 44.40 ? 326 ARG b O 1 ? ? +31627 ATOM N N . THR V 2 326 ? 19.536 2.148 -26.071 1.00 44.00 ? 327 THR b N 1 ? ? +31628 ATOM C CA . THR V 2 326 ? 20.620 1.207 -26.242 1.00 44.23 ? 327 THR b CA 1 ? ? +31629 ATOM C CB . THR V 2 326 ? 20.183 -0.165 -25.804 1.00 44.05 ? 327 THR b CB 1 ? ? +31630 ATOM O OG1 . THR V 2 326 ? 19.151 -0.555 -26.660 1.00 44.02 ? 327 THR b OG1 1 ? ? +31631 ATOM C CG2 . THR V 2 326 ? 19.733 -0.210 -24.362 1.00 44.02 ? 327 THR b CG2 1 ? ? +31632 ATOM C C . THR V 2 326 ? 21.193 1.123 -27.651 1.00 44.48 ? 327 THR b C 1 ? ? +31633 ATOM O O . THR V 2 326 ? 20.664 1.666 -28.611 1.00 44.23 ? 327 THR b O 1 ? ? +31634 ATOM N N . GLY V 2 327 ? 22.355 0.468 -27.728 1.00 44.93 ? 328 GLY b N 1 ? ? +31635 ATOM C CA . GLY V 2 327 ? 22.997 0.186 -29.000 1.00 45.24 ? 328 GLY b CA 1 ? ? +31636 ATOM C C . GLY V 2 327 ? 23.801 1.348 -29.570 1.00 45.81 ? 328 GLY b C 1 ? ? +31637 ATOM O O . GLY V 2 327 ? 24.015 2.352 -28.900 1.00 46.02 ? 328 GLY b O 1 ? ? +31638 ATOM N N . PRO V 2 328 ? 24.219 1.250 -30.850 1.00 46.26 ? 329 PRO b N 1 ? ? +31639 ATOM C CA . PRO V 2 328 ? 25.097 2.243 -31.461 1.00 46.80 ? 329 PRO b CA 1 ? ? +31640 ATOM C CB . PRO V 2 328 ? 25.539 1.548 -32.742 1.00 46.72 ? 329 PRO b CB 1 ? ? +31641 ATOM C CG . PRO V 2 328 ? 24.349 0.687 -33.107 1.00 46.42 ? 329 PRO b CG 1 ? ? +31642 ATOM C CD . PRO V 2 328 ? 23.808 0.194 -31.795 1.00 46.13 ? 329 PRO b CD 1 ? ? +31643 ATOM C C . PRO V 2 328 ? 24.343 3.540 -31.740 1.00 47.33 ? 329 PRO b C 1 ? ? +31644 ATOM O O . PRO V 2 328 ? 23.108 3.582 -31.691 1.00 47.15 ? 329 PRO b O 1 ? ? +31645 ATOM N N . MET V 2 329 ? 25.105 4.586 -32.077 1.00 47.94 ? 330 MET b N 1 ? ? +31646 ATOM C CA . MET V 2 329 ? 24.547 5.900 -32.333 1.00 48.37 ? 330 MET b CA 1 ? ? +31647 ATOM C CB . MET V 2 329 ? 25.691 6.920 -32.453 1.00 48.97 ? 330 MET b CB 1 ? ? +31648 ATOM C CG . MET V 2 329 ? 26.309 7.249 -31.127 1.00 49.34 ? 330 MET b CG 1 ? ? +31649 ATOM S SD . MET V 2 329 ? 27.867 8.156 -31.259 1.00 50.45 ? 330 MET b SD 1 ? ? +31650 ATOM C CE . MET V 2 329 ? 27.381 9.740 -30.718 1.00 50.47 ? 330 MET b CE 1 ? ? +31651 ATOM C C . MET V 2 329 ? 23.691 5.882 -33.600 1.00 48.32 ? 330 MET b C 1 ? ? +31652 ATOM O O . MET V 2 329 ? 22.730 6.646 -33.705 1.00 48.27 ? 330 MET b O 1 ? ? +31653 ATOM N N . ASN V 2 330 ? 24.071 4.996 -34.533 1.00 48.22 ? 331 ASN b N 1 ? ? +31654 ATOM C CA . ASN V 2 330 ? 23.403 4.810 -35.809 1.00 48.16 ? 331 ASN b CA 1 ? ? +31655 ATOM C CB . ASN V 2 330 ? 24.175 3.781 -36.655 1.00 47.98 ? 331 ASN b CB 1 ? ? +31656 ATOM C CG . ASN V 2 330 ? 25.511 4.263 -37.199 1.00 48.40 ? 331 ASN b CG 1 ? ? +31657 ATOM O OD1 . ASN V 2 330 ? 25.817 5.445 -37.214 1.00 48.99 ? 331 ASN b OD1 1 ? ? +31658 ATOM N ND2 . ASN V 2 330 ? 26.323 3.365 -37.694 1.00 48.35 ? 331 ASN b ND2 1 ? ? +31659 ATOM C C . ASN V 2 330 ? 21.946 4.367 -35.627 1.00 48.19 ? 331 ASN b C 1 ? ? +31660 ATOM O O . ASN V 2 330 ? 21.091 4.572 -36.494 1.00 47.87 ? 331 ASN b O 1 ? ? +31661 ATOM N N . LYS V 2 331 ? 21.663 3.763 -34.474 1.00 48.25 ? 332 LYS b N 1 ? ? +31662 ATOM C CA . LYS V 2 331 ? 20.310 3.338 -34.166 1.00 48.11 ? 332 LYS b CA 1 ? ? +31663 ATOM C CB . LYS V 2 331 ? 20.372 2.349 -33.002 1.00 48.48 ? 332 LYS b CB 1 ? ? +31664 ATOM C CG . LYS V 2 331 ? 19.076 1.778 -32.571 1.00 48.75 ? 332 LYS b CG 1 ? ? +31665 ATOM C CD . LYS V 2 331 ? 18.377 1.005 -33.614 1.00 49.18 ? 332 LYS b CD 1 ? ? +31666 ATOM C CE . LYS V 2 331 ? 16.990 0.621 -33.061 1.00 49.62 ? 332 LYS b CE 1 ? ? +31667 ATOM N NZ . LYS V 2 331 ? 16.152 -0.051 -34.073 1.00 49.81 ? 332 LYS b NZ 1 ? ? +31668 ATOM C C . LYS V 2 331 ? 19.409 4.535 -33.867 1.00 47.75 ? 332 LYS b C 1 ? ? +31669 ATOM O O . LYS V 2 331 ? 18.198 4.425 -33.973 1.00 47.65 ? 332 LYS b O 1 ? ? +31670 ATOM N N . GLY V 2 332 ? 19.997 5.692 -33.539 1.00 47.59 ? 333 GLY b N 1 ? ? +31671 ATOM C CA . GLY V 2 332 ? 19.232 6.900 -33.269 1.00 47.44 ? 333 GLY b CA 1 ? ? +31672 ATOM C C . GLY V 2 332 ? 18.961 7.777 -34.491 1.00 47.41 ? 333 GLY b C 1 ? ? +31673 ATOM O O . GLY V 2 332 ? 17.915 7.679 -35.123 1.00 47.06 ? 333 GLY b O 1 ? ? +31674 ATOM N N . ASP V 2 333 ? 19.927 8.639 -34.830 1.00 47.60 ? 334 ASP b N 1 ? ? +31675 ATOM C CA . ASP V 2 333 ? 19.775 9.543 -35.955 1.00 47.67 ? 334 ASP b CA 1 ? ? +31676 ATOM C CB . ASP V 2 333 ? 20.712 10.750 -35.825 1.00 48.02 ? 334 ASP b CB 1 ? ? +31677 ATOM C CG . ASP V 2 333 ? 22.184 10.492 -35.465 1.00 47.93 ? 334 ASP b CG 1 ? ? +31678 ATOM O OD1 . ASP V 2 333 ? 22.565 9.312 -35.317 1.00 47.43 ? 334 ASP b OD1 1 ? ? +31679 ATOM O OD2 . ASP V 2 333 ? 22.916 11.466 -35.310 1.00 48.09 ? 334 ASP b OD2 1 ? ? +31680 ATOM C C . ASP V 2 333 ? 19.957 8.855 -37.305 1.00 47.73 ? 334 ASP b C 1 ? ? +31681 ATOM O O . ASP V 2 333 ? 19.626 9.444 -38.326 1.00 48.11 ? 334 ASP b O 1 ? ? +31682 ATOM N N . GLY V 2 334 ? 20.442 7.607 -37.303 1.00 47.66 ? 335 GLY b N 1 ? ? +31683 ATOM C CA . GLY V 2 334 ? 20.701 6.857 -38.524 1.00 47.80 ? 335 GLY b CA 1 ? ? +31684 ATOM C C . GLY V 2 334 ? 22.186 6.765 -38.894 1.00 48.32 ? 335 GLY b C 1 ? ? +31685 ATOM O O . GLY V 2 334 ? 23.045 7.260 -38.169 1.00 48.33 ? 335 GLY b O 1 ? ? +31686 ATOM N N . ILE V 2 335 ? 22.469 6.118 -40.032 1.00 48.63 ? 336 ILE b N 1 ? ? +31687 ATOM C CA . ILE V 2 335 ? 23.805 6.030 -40.596 1.00 49.06 ? 336 ILE b CA 1 ? ? +31688 ATOM C CB . ILE V 2 335 ? 23.970 4.728 -41.422 1.00 48.78 ? 336 ILE b CB 1 ? ? +31689 ATOM C CG1 . ILE V 2 335 ? 23.607 3.496 -40.621 1.00 48.22 ? 336 ILE b CG1 1 ? ? +31690 ATOM C CG2 . ILE V 2 335 ? 25.392 4.580 -42.005 1.00 49.23 ? 336 ILE b CG2 1 ? ? +31691 ATOM C CD1 . ILE V 2 335 ? 23.339 2.264 -41.486 1.00 48.00 ? 336 ILE b CD1 1 ? ? +31692 ATOM C C . ILE V 2 335 ? 24.065 7.250 -41.473 1.00 50.18 ? 336 ILE b C 1 ? ? +31693 ATOM O O . ILE V 2 335 ? 23.468 7.381 -42.539 1.00 50.37 ? 336 ILE b O 1 ? ? +31694 ATOM N N . ALA V 2 336 ? 24.963 8.140 -41.034 1.00 51.30 ? 337 ALA b N 1 ? ? +31695 ATOM C CA . ALA V 2 336 ? 25.268 9.336 -41.803 1.00 52.48 ? 337 ALA b CA 1 ? ? +31696 ATOM C CB . ALA V 2 336 ? 26.315 10.180 -41.101 1.00 52.84 ? 337 ALA b CB 1 ? ? +31697 ATOM C C . ALA V 2 336 ? 25.728 8.945 -43.206 1.00 53.76 ? 337 ALA b C 1 ? ? +31698 ATOM O O . ALA V 2 336 ? 26.530 8.027 -43.360 1.00 54.38 ? 337 ALA b O 1 ? ? +31699 ATOM N N . GLN V 2 337 ? 25.189 9.628 -44.225 1.00 54.94 ? 338 GLN b N 1 ? ? +31700 ATOM C CA . GLN V 2 337 ? 25.474 9.318 -45.617 1.00 55.75 ? 338 GLN b CA 1 ? ? +31701 ATOM C CB . GLN V 2 337 ? 24.188 9.109 -46.404 1.00 56.33 ? 338 GLN b CB 1 ? ? +31702 ATOM C CG . GLN V 2 337 ? 23.305 7.978 -45.891 1.00 56.44 ? 338 GLN b CG 1 ? ? +31703 ATOM C CD . GLN V 2 337 ? 23.926 6.637 -46.139 1.00 56.66 ? 338 GLN b CD 1 ? ? +31704 ATOM O OE1 . GLN V 2 337 ? 24.235 5.882 -45.205 1.00 57.04 ? 338 GLN b OE1 1 ? ? +31705 ATOM N NE2 . GLN V 2 337 ? 24.114 6.316 -47.399 1.00 57.03 ? 338 GLN b NE2 1 ? ? +31706 ATOM C C . GLN V 2 337 ? 26.275 10.433 -46.280 1.00 56.51 ? 338 GLN b C 1 ? ? +31707 ATOM O O . GLN V 2 337 ? 27.232 10.162 -46.997 1.00 57.21 ? 338 GLN b O 1 ? ? +31708 ATOM N N . ALA V 2 338 ? 25.875 11.683 -46.043 1.00 56.60 ? 339 ALA b N 1 ? ? +31709 ATOM C CA . ALA V 2 338 ? 26.468 12.805 -46.742 1.00 57.25 ? 339 ALA b CA 1 ? ? +31710 ATOM C CB . ALA V 2 338 ? 25.905 12.881 -48.139 1.00 57.45 ? 339 ALA b CB 1 ? ? +31711 ATOM C C . ALA V 2 338 ? 26.222 14.117 -46.008 1.00 57.77 ? 339 ALA b C 1 ? ? +31712 ATOM O O . ALA V 2 338 ? 25.203 14.283 -45.348 1.00 57.68 ? 339 ALA b O 1 ? ? +31713 ATOM N N . TRP V 2 339 ? 27.182 15.034 -46.119 1.00 58.48 ? 340 TRP b N 1 ? ? +31714 ATOM C CA . TRP V 2 339 ? 26.988 16.404 -45.683 1.00 58.88 ? 340 TRP b CA 1 ? ? +31715 ATOM C CB . TRP V 2 339 ? 28.344 17.127 -45.571 1.00 59.65 ? 340 TRP b CB 1 ? ? +31716 ATOM C CG . TRP V 2 339 ? 28.283 18.512 -45.036 1.00 59.82 ? 340 TRP b CG 1 ? ? +31717 ATOM C CD1 . TRP V 2 339 ? 27.465 18.970 -44.052 1.00 59.58 ? 340 TRP b CD1 1 ? ? +31718 ATOM N NE1 . TRP V 2 339 ? 27.719 20.297 -43.808 1.00 60.21 ? 340 TRP b NE1 1 ? ? +31719 ATOM C CE2 . TRP V 2 339 ? 28.724 20.717 -44.636 1.00 60.76 ? 340 TRP b CE2 1 ? ? +31720 ATOM C CZ2 . TRP V 2 339 ? 29.332 21.966 -44.754 1.00 61.70 ? 340 TRP b CZ2 1 ? ? +31721 ATOM C CH2 . TRP V 2 339 ? 30.346 22.092 -45.674 1.00 62.30 ? 340 TRP b CH2 1 ? ? +31722 ATOM C CZ3 . TRP V 2 339 ? 30.755 21.011 -46.463 1.00 62.08 ? 340 TRP b CZ3 1 ? ? +31723 ATOM C CE3 . TRP V 2 339 ? 30.146 19.771 -46.349 1.00 61.29 ? 340 TRP b CE3 1 ? ? +31724 ATOM C CD2 . TRP V 2 339 ? 29.110 19.611 -45.419 1.00 60.60 ? 340 TRP b CD2 1 ? ? +31725 ATOM C C . TRP V 2 339 ? 26.052 17.072 -46.687 1.00 58.95 ? 340 TRP b C 1 ? ? +31726 ATOM O O . TRP V 2 339 ? 26.280 17.003 -47.890 1.00 59.24 ? 340 TRP b O 1 ? ? +31727 ATOM N N . LYS V 2 340 ? 24.985 17.702 -46.191 1.00 58.72 ? 341 LYS b N 1 ? ? +31728 ATOM C CA . LYS V 2 340 ? 24.079 18.412 -47.075 1.00 58.97 ? 341 LYS b CA 1 ? ? +31729 ATOM C CB . LYS V 2 340 ? 22.724 18.613 -46.403 1.00 59.14 ? 341 LYS b CB 1 ? ? +31730 ATOM C CG . LYS V 2 340 ? 21.912 17.333 -46.397 1.00 58.92 ? 341 LYS b CG 1 ? ? +31731 ATOM C CD . LYS V 2 340 ? 20.475 17.588 -46.059 1.00 59.53 ? 341 LYS b CD 1 ? ? +31732 ATOM C CE . LYS V 2 340 ? 19.593 16.380 -46.268 1.00 59.83 ? 341 LYS b CE 1 ? ? +31733 ATOM N NZ . LYS V 2 340 ? 19.732 15.850 -47.664 1.00 60.61 ? 341 LYS b NZ 1 ? ? +31734 ATOM C C . LYS V 2 340 ? 24.648 19.751 -47.524 1.00 59.17 ? 341 LYS b C 1 ? ? +31735 ATOM O O . LYS V 2 340 ? 24.248 20.280 -48.559 1.00 59.62 ? 341 LYS b O 1 ? ? +31736 ATOM N N . GLY V 2 341 ? 25.590 20.283 -46.740 1.00 58.81 ? 342 GLY b N 1 ? ? +31737 ATOM C CA . GLY V 2 341 ? 26.164 21.590 -47.002 1.00 58.87 ? 342 GLY b CA 1 ? ? +31738 ATOM C C . GLY V 2 341 ? 25.819 22.539 -45.863 1.00 58.36 ? 342 GLY b C 1 ? ? +31739 ATOM O O . GLY V 2 341 ? 24.973 22.226 -45.023 1.00 57.92 ? 342 GLY b O 1 ? ? +31740 ATOM N N . HIS V 2 342 ? 26.503 23.683 -45.837 1.00 58.43 ? 343 HIS b N 1 ? ? +31741 ATOM C CA . HIS V 2 342 ? 26.280 24.692 -44.817 1.00 58.18 ? 343 HIS b CA 1 ? ? +31742 ATOM C CB . HIS V 2 342 ? 27.489 25.607 -44.660 1.00 58.40 ? 343 HIS b CB 1 ? ? +31743 ATOM C CG . HIS V 2 342 ? 27.359 26.606 -43.552 1.00 58.21 ? 343 HIS b CG 1 ? ? +31744 ATOM N ND1 . HIS V 2 342 ? 27.497 26.237 -42.234 1.00 57.60 ? 343 HIS b ND1 1 ? ? +31745 ATOM C CE1 . HIS V 2 342 ? 27.363 27.346 -41.525 1.00 57.94 ? 343 HIS b CE1 1 ? ? +31746 ATOM N NE2 . HIS V 2 342 ? 27.152 28.396 -42.321 1.00 58.57 ? 343 HIS b NE2 1 ? ? +31747 ATOM C CD2 . HIS V 2 342 ? 27.149 27.935 -43.612 1.00 58.65 ? 343 HIS b CD2 1 ? ? +31748 ATOM C C . HIS V 2 342 ? 25.055 25.520 -45.181 1.00 58.35 ? 343 HIS b C 1 ? ? +31749 ATOM O O . HIS V 2 342 ? 24.983 26.071 -46.273 1.00 58.57 ? 343 HIS b O 1 ? ? +31750 ATOM N N . ALA V 2 343 ? 24.107 25.589 -44.242 1.00 58.21 ? 344 ALA b N 1 ? ? +31751 ATOM C CA . ALA V 2 343 ? 22.885 26.354 -44.393 1.00 58.33 ? 344 ALA b CA 1 ? ? +31752 ATOM C CB . ALA V 2 343 ? 21.795 25.768 -43.521 1.00 57.59 ? 344 ALA b CB 1 ? ? +31753 ATOM C C . ALA V 2 343 ? 23.143 27.803 -44.006 1.00 59.19 ? 344 ALA b C 1 ? ? +31754 ATOM O O . ALA V 2 343 ? 23.675 28.073 -42.933 1.00 59.33 ? 344 ALA b O 1 ? ? +31755 ATOM N N . VAL V 2 344 ? 22.776 28.727 -44.896 1.00 60.09 ? 345 VAL b N 1 ? ? +31756 ATOM C CA . VAL V 2 344 ? 22.828 30.144 -44.595 1.00 61.18 ? 345 VAL b CA 1 ? ? +31757 ATOM C CB . VAL V 2 344 ? 23.803 30.894 -45.514 1.00 62.00 ? 345 VAL b CB 1 ? ? +31758 ATOM C CG1 . VAL V 2 344 ? 23.677 32.404 -45.351 1.00 62.80 ? 345 VAL b CG1 1 ? ? +31759 ATOM C CG2 . VAL V 2 344 ? 25.238 30.447 -45.264 1.00 62.02 ? 345 VAL b CG2 1 ? ? +31760 ATOM C C . VAL V 2 344 ? 21.402 30.675 -44.701 1.00 61.76 ? 345 VAL b C 1 ? ? +31761 ATOM O O . VAL V 2 344 ? 20.743 30.496 -45.724 1.00 62.12 ? 345 VAL b O 1 ? ? +31762 ATOM N N . PHE V 2 345 ? 20.937 31.313 -43.622 1.00 62.10 ? 346 PHE b N 1 ? ? +31763 ATOM C CA . PHE V 2 345 ? 19.586 31.844 -43.559 1.00 62.12 ? 346 PHE b CA 1 ? ? +31764 ATOM C CB . PHE V 2 345 ? 18.943 31.531 -42.206 1.00 61.36 ? 346 PHE b CB 1 ? ? +31765 ATOM C CG . PHE V 2 345 ? 18.742 30.068 -41.974 1.00 60.32 ? 346 PHE b CG 1 ? ? +31766 ATOM C CD1 . PHE V 2 345 ? 17.590 29.440 -42.401 1.00 59.87 ? 346 PHE b CD1 1 ? ? +31767 ATOM C CD2 . PHE V 2 345 ? 19.719 29.307 -41.357 1.00 59.94 ? 346 PHE b CD2 1 ? ? +31768 ATOM C CE1 . PHE V 2 345 ? 17.404 28.082 -42.197 1.00 59.07 ? 346 PHE b CE1 1 ? ? +31769 ATOM C CE2 . PHE V 2 345 ? 19.535 27.949 -41.160 1.00 59.25 ? 346 PHE b CE2 1 ? ? +31770 ATOM C CZ . PHE V 2 345 ? 18.374 27.344 -41.581 1.00 58.81 ? 346 PHE b CZ 1 ? ? +31771 ATOM C C . PHE V 2 345 ? 19.659 33.349 -43.764 1.00 63.16 ? 346 PHE b C 1 ? ? +31772 ATOM O O . PHE V 2 345 ? 20.539 34.000 -43.207 1.00 63.79 ? 346 PHE b O 1 ? ? +31773 ATOM N N A ARG V 2 346 ? 18.737 33.875 -44.577 0.50 63.49 ? 347 ARG b N 1 ? ? +31774 ATOM N N B ARG V 2 346 ? 18.737 33.878 -44.576 0.50 63.62 ? 347 ARG b N 1 ? ? +31775 ATOM C CA A ARG V 2 346 ? 18.598 35.304 -44.803 0.50 64.26 ? 347 ARG b CA 1 ? ? +31776 ATOM C CA B ARG V 2 346 ? 18.597 35.311 -44.771 0.50 64.46 ? 347 ARG b CA 1 ? ? +31777 ATOM C C A ARG V 2 346 ? 17.122 35.667 -44.664 0.50 64.63 ? 347 ARG b C 1 ? ? +31778 ATOM C C B ARG V 2 346 ? 17.118 35.670 -44.674 0.50 64.75 ? 347 ARG b C 1 ? ? +31779 ATOM O O A ARG V 2 346 ? 16.257 34.824 -44.891 0.50 63.97 ? 347 ARG b O 1 ? ? +31780 ATOM O O B ARG V 2 346 ? 16.256 34.829 -44.927 0.50 64.10 ? 347 ARG b O 1 ? ? +31781 ATOM C CB A ARG V 2 346 ? 19.112 35.676 -46.198 0.50 64.58 ? 347 ARG b CB 1 ? ? +31782 ATOM C CB B ARG V 2 346 ? 19.175 35.748 -46.123 0.50 64.97 ? 347 ARG b CB 1 ? ? +31783 ATOM C CG A ARG V 2 346 ? 20.548 35.244 -46.474 0.50 64.41 ? 347 ARG b CG 1 ? ? +31784 ATOM C CG B ARG V 2 346 ? 20.657 35.436 -46.278 0.50 64.99 ? 347 ARG b CG 1 ? ? +31785 ATOM C CD A ARG V 2 346 ? 20.958 35.492 -47.908 0.50 64.71 ? 347 ARG b CD 1 ? ? +31786 ATOM C CD B ARG V 2 346 ? 21.324 36.232 -47.375 0.50 65.64 ? 347 ARG b CD 1 ? ? +31787 ATOM N NE A ARG V 2 346 ? 22.371 35.205 -48.111 0.50 64.71 ? 347 ARG b NE 1 ? ? +31788 ATOM N NE B ARG V 2 346 ? 22.699 35.792 -47.571 0.50 65.76 ? 347 ARG b NE 1 ? ? +31789 ATOM C CZ A ARG V 2 346 ? 22.839 34.227 -48.872 0.50 64.27 ? 347 ARG b CZ 1 ? ? +31790 ATOM C CZ B ARG V 2 346 ? 23.770 36.429 -47.110 0.50 66.17 ? 347 ARG b CZ 1 ? ? +31791 ATOM N NH1 A ARG V 2 346 ? 22.029 33.408 -49.522 0.50 63.82 ? 347 ARG b NH1 1 ? ? +31792 ATOM N NH1 B ARG V 2 346 ? 23.664 37.532 -46.386 0.50 66.52 ? 347 ARG b NH1 1 ? ? +31793 ATOM N NH2 A ARG V 2 346 ? 24.153 34.059 -48.974 0.50 64.43 ? 347 ARG b NH2 1 ? ? +31794 ATOM N NH2 B ARG V 2 346 ? 24.979 35.941 -47.374 0.50 66.18 ? 347 ARG b NH2 1 ? ? +31795 ATOM N N . ASN V 2 347 ? 16.853 36.922 -44.284 1.00 65.68 ? 348 ASN b N 1 ? ? +31796 ATOM C CA . ASN V 2 347 ? 15.501 37.460 -44.231 1.00 66.17 ? 348 ASN b CA 1 ? ? +31797 ATOM C CB . ASN V 2 347 ? 15.316 38.332 -42.986 1.00 65.89 ? 348 ASN b CB 1 ? ? +31798 ATOM C CG . ASN V 2 347 ? 16.148 39.565 -42.982 1.00 66.37 ? 348 ASN b CG 1 ? ? +31799 ATOM O OD1 . ASN V 2 347 ? 16.752 39.924 -43.984 1.00 67.09 ? 348 ASN b OD1 1 ? ? +31800 ATOM N ND2 . ASN V 2 347 ? 16.195 40.254 -41.862 1.00 66.40 ? 348 ASN b ND2 1 ? ? +31801 ATOM C C . ASN V 2 347 ? 15.235 38.236 -45.521 1.00 68.29 ? 348 ASN b C 1 ? ? +31802 ATOM O O . ASN V 2 347 ? 16.096 38.290 -46.399 1.00 68.85 ? 348 ASN b O 1 ? ? +31803 ATOM N N . LYS V 2 348 ? 14.042 38.841 -45.631 1.00 70.11 ? 349 LYS b N 1 ? ? +31804 ATOM C CA . LYS V 2 348 ? 13.650 39.534 -46.852 1.00 71.81 ? 349 LYS b CA 1 ? ? +31805 ATOM C CB . LYS V 2 348 ? 12.154 39.898 -46.825 1.00 72.66 ? 349 LYS b CB 1 ? ? +31806 ATOM C CG . LYS V 2 348 ? 11.728 40.867 -45.744 1.00 74.15 ? 349 LYS b CG 1 ? ? +31807 ATOM C CD . LYS V 2 348 ? 10.200 40.976 -45.683 1.00 75.45 ? 349 LYS b CD 1 ? ? +31808 ATOM C CE . LYS V 2 348 ? 9.728 42.045 -44.721 1.00 77.11 ? 349 LYS b CE 1 ? ? +31809 ATOM N NZ . LYS V 2 348 ? 10.316 41.866 -43.359 1.00 77.53 ? 349 LYS b NZ 1 ? ? +31810 ATOM C C . LYS V 2 348 ? 14.508 40.764 -47.146 1.00 72.75 ? 349 LYS b C 1 ? ? +31811 ATOM O O . LYS V 2 348 ? 14.659 41.135 -48.301 1.00 73.73 ? 349 LYS b O 1 ? ? +31812 ATOM N N . GLU V 2 349 ? 15.062 41.388 -46.100 1.00 73.41 ? 350 GLU b N 1 ? ? +31813 ATOM C CA . GLU V 2 349 ? 16.027 42.468 -46.256 1.00 74.77 ? 350 GLU b CA 1 ? ? +31814 ATOM C CB . GLU V 2 349 ? 16.287 43.195 -44.919 1.00 76.66 ? 350 GLU b CB 1 ? ? +31815 ATOM C CG . GLU V 2 349 ? 15.431 44.413 -44.673 1.00 79.41 ? 350 GLU b CG 1 ? ? +31816 ATOM C CD . GLU V 2 349 ? 13.971 44.151 -44.347 1.00 81.62 ? 350 GLU b CD 1 ? ? +31817 ATOM O OE1 . GLU V 2 349 ? 13.596 42.990 -44.054 1.00 82.07 ? 350 GLU b OE1 1 ? ? +31818 ATOM O OE2 . GLU V 2 349 ? 13.193 45.133 -44.386 1.00 84.61 ? 350 GLU b OE2 1 ? ? +31819 ATOM C C . GLU V 2 349 ? 17.385 42.005 -46.780 1.00 73.69 ? 350 GLU b C 1 ? ? +31820 ATOM O O . GLU V 2 349 ? 18.210 42.839 -47.129 1.00 74.76 ? 350 GLU b O 1 ? ? +31821 ATOM N N . GLY V 2 350 ? 17.629 40.690 -46.783 1.00 71.91 ? 351 GLY b N 1 ? ? +31822 ATOM C CA . GLY V 2 350 ? 18.925 40.143 -47.150 1.00 71.32 ? 351 GLY b CA 1 ? ? +31823 ATOM C C . GLY V 2 350 ? 19.942 40.002 -46.014 1.00 70.44 ? 351 GLY b C 1 ? ? +31824 ATOM O O . GLY V 2 350 ? 21.059 39.559 -46.258 1.00 70.70 ? 351 GLY b O 1 ? ? +31825 ATOM N N A GLU V 2 351 ? 19.539 40.366 -44.788 0.50 69.68 ? 352 GLU b N 1 ? ? +31826 ATOM N N B GLU V 2 351 ? 19.561 40.369 -44.781 0.50 69.91 ? 352 GLU b N 1 ? ? +31827 ATOM C CA A GLU V 2 351 ? 20.375 40.187 -43.611 0.50 68.96 ? 352 GLU b CA 1 ? ? +31828 ATOM C CA B GLU V 2 351 ? 20.438 40.233 -43.626 0.50 69.38 ? 352 GLU b CA 1 ? ? +31829 ATOM C C A GLU V 2 351 ? 20.616 38.700 -43.372 0.50 68.06 ? 352 GLU b C 1 ? ? +31830 ATOM C C B GLU V 2 351 ? 20.615 38.754 -43.283 0.50 68.28 ? 352 GLU b C 1 ? ? +31831 ATOM O O A GLU V 2 351 ? 19.677 37.906 -43.437 0.50 67.39 ? 352 GLU b O 1 ? ? +31832 ATOM O O B GLU V 2 351 ? 19.635 38.013 -43.212 0.50 67.58 ? 352 GLU b O 1 ? ? +31833 ATOM C CB A GLU V 2 351 ? 19.715 40.783 -42.351 0.50 68.61 ? 352 GLU b CB 1 ? ? +31834 ATOM C CB B GLU V 2 351 ? 19.867 41.016 -42.416 0.50 69.46 ? 352 GLU b CB 1 ? ? +31835 ATOM C CG A GLU V 2 351 ? 19.129 42.177 -42.515 0.50 69.11 ? 352 GLU b CG 1 ? ? +31836 ATOM C CG B GLU V 2 351 ? 20.633 40.851 -41.104 0.50 69.25 ? 352 GLU b CG 1 ? ? +31837 ATOM C CD A GLU V 2 351 ? 18.575 42.770 -41.234 0.50 68.81 ? 352 GLU b CD 1 ? ? +31838 ATOM C CD B GLU V 2 351 ? 21.659 41.918 -40.753 0.50 69.96 ? 352 GLU b CD 1 ? ? +31839 ATOM O OE1 A GLU V 2 351 ? 19.389 43.059 -40.331 0.50 68.80 ? 352 GLU b OE1 1 ? ? +31840 ATOM O OE1 B GLU V 2 351 ? 22.504 42.248 -41.615 0.50 70.47 ? 352 GLU b OE1 1 ? ? +31841 ATOM O OE2 A GLU V 2 351 ? 17.337 42.926 -41.117 0.50 68.43 ? 352 GLU b OE2 1 ? ? +31842 ATOM O OE2 B GLU V 2 351 ? 21.633 42.410 -39.601 0.50 69.98 ? 352 GLU b OE2 1 ? ? +31843 ATOM N N . GLU V 2 352 ? 21.875 38.338 -43.090 1.00 67.97 ? 353 GLU b N 1 ? ? +31844 ATOM C CA . GLU V 2 352 ? 22.204 36.968 -42.724 1.00 66.93 ? 353 GLU b CA 1 ? ? +31845 ATOM C CB . GLU V 2 352 ? 23.704 36.678 -42.848 1.00 67.85 ? 353 GLU b CB 1 ? ? +31846 ATOM C CG . GLU V 2 352 ? 24.032 35.221 -42.553 1.00 67.83 ? 353 GLU b CG 1 ? ? +31847 ATOM C CD . GLU V 2 352 ? 25.446 34.762 -42.841 1.00 68.67 ? 353 GLU b CD 1 ? ? +31848 ATOM O OE1 . GLU V 2 352 ? 26.285 35.586 -43.286 1.00 70.12 ? 353 GLU b OE1 1 ? ? +31849 ATOM O OE2 . GLU V 2 352 ? 25.705 33.555 -42.623 1.00 68.06 ? 353 GLU b OE2 1 ? ? +31850 ATOM C C . GLU V 2 352 ? 21.735 36.716 -41.295 1.00 65.41 ? 353 GLU b C 1 ? ? +31851 ATOM O O . GLU V 2 352 ? 21.890 37.573 -40.431 1.00 65.89 ? 353 GLU b O 1 ? ? +31852 ATOM N N . LEU V 2 353 ? 21.148 35.540 -41.065 1.00 63.58 ? 354 LEU b N 1 ? ? +31853 ATOM C CA . LEU V 2 353 ? 20.609 35.185 -39.765 1.00 62.40 ? 354 LEU b CA 1 ? ? +31854 ATOM C CB . LEU V 2 353 ? 19.094 34.990 -39.838 1.00 62.04 ? 354 LEU b CB 1 ? ? +31855 ATOM C CG . LEU V 2 353 ? 18.266 36.165 -40.304 1.00 62.64 ? 354 LEU b CG 1 ? ? +31856 ATOM C CD1 . LEU V 2 353 ? 16.797 35.865 -40.143 1.00 62.22 ? 354 LEU b CD1 1 ? ? +31857 ATOM C CD2 . LEU V 2 353 ? 18.603 37.444 -39.538 1.00 63.31 ? 354 LEU b CD2 1 ? ? +31858 ATOM C C . LEU V 2 353 ? 21.245 33.886 -39.287 1.00 61.07 ? 354 LEU b C 1 ? ? +31859 ATOM O O . LEU V 2 353 ? 21.585 33.026 -40.096 1.00 60.88 ? 354 LEU b O 1 ? ? +31860 ATOM N N . PHE V 2 354 ? 21.373 33.749 -37.966 1.00 60.10 ? 355 PHE b N 1 ? ? +31861 ATOM C CA . PHE V 2 354 ? 22.054 32.614 -37.378 1.00 59.13 ? 355 PHE b CA 1 ? ? +31862 ATOM C CB . PHE V 2 354 ? 23.340 33.066 -36.680 1.00 59.45 ? 355 PHE b CB 1 ? ? +31863 ATOM C CG . PHE V 2 354 ? 24.256 33.866 -37.564 1.00 60.08 ? 355 PHE b CG 1 ? ? +31864 ATOM C CD1 . PHE V 2 354 ? 25.186 33.239 -38.376 1.00 60.00 ? 355 PHE b CD1 1 ? ? +31865 ATOM C CD2 . PHE V 2 354 ? 24.180 35.246 -37.595 1.00 60.81 ? 355 PHE b CD2 1 ? ? +31866 ATOM C CE1 . PHE V 2 354 ? 26.025 33.983 -39.194 1.00 60.65 ? 355 PHE b CE1 1 ? ? +31867 ATOM C CE2 . PHE V 2 354 ? 25.024 35.985 -38.419 1.00 61.49 ? 355 PHE b CE2 1 ? ? +31868 ATOM C CZ . PHE V 2 354 ? 25.938 35.346 -39.208 1.00 61.36 ? 355 PHE b CZ 1 ? ? +31869 ATOM C C . PHE V 2 354 ? 21.117 31.910 -36.406 1.00 58.19 ? 355 PHE b C 1 ? ? +31870 ATOM O O . PHE V 2 354 ? 20.526 32.537 -35.536 1.00 58.11 ? 355 PHE b O 1 ? ? +31871 ATOM N N . VAL V 2 355 ? 20.997 30.595 -36.583 1.00 57.54 ? 356 VAL b N 1 ? ? +31872 ATOM C CA . VAL V 2 355 ? 20.187 29.763 -35.719 1.00 57.02 ? 356 VAL b CA 1 ? ? +31873 ATOM C CB . VAL V 2 355 ? 19.897 28.419 -36.389 1.00 56.51 ? 356 VAL b CB 1 ? ? +31874 ATOM C CG1 . VAL V 2 355 ? 19.062 27.540 -35.486 1.00 56.01 ? 356 VAL b CG1 1 ? ? +31875 ATOM C CG2 . VAL V 2 355 ? 19.204 28.613 -37.735 1.00 56.72 ? 356 VAL b CG2 1 ? ? +31876 ATOM C C . VAL V 2 355 ? 20.918 29.559 -34.402 1.00 57.03 ? 356 VAL b C 1 ? ? +31877 ATOM O O . VAL V 2 355 ? 22.091 29.192 -34.406 1.00 57.35 ? 356 VAL b O 1 ? ? +31878 ATOM N N . ARG V 2 356 ? 20.227 29.800 -33.287 1.00 56.84 ? 357 ARG b N 1 ? ? +31879 ATOM C CA . ARG V 2 356 ? 20.790 29.533 -31.978 1.00 56.87 ? 357 ARG b CA 1 ? ? +31880 ATOM C CB . ARG V 2 356 ? 19.924 30.166 -30.890 1.00 57.53 ? 357 ARG b CB 1 ? ? +31881 ATOM C CG . ARG V 2 356 ? 20.450 30.023 -29.463 1.00 58.03 ? 357 ARG b CG 1 ? ? +31882 ATOM C CD . ARG V 2 356 ? 21.551 31.015 -29.179 1.00 59.25 ? 357 ARG b CD 1 ? ? +31883 ATOM N NE . ARG V 2 356 ? 21.897 31.039 -27.762 1.00 59.91 ? 357 ARG b NE 1 ? ? +31884 ATOM C CZ . ARG V 2 356 ? 22.517 30.051 -27.121 1.00 60.16 ? 357 ARG b CZ 1 ? ? +31885 ATOM N NH1 . ARG V 2 356 ? 22.708 28.869 -27.688 1.00 60.07 ? 357 ARG b NH1 1 ? ? +31886 ATOM N NH2 . ARG V 2 356 ? 22.961 30.256 -25.882 1.00 60.39 ? 357 ARG b NH2 1 ? ? +31887 ATOM C C . ARG V 2 356 ? 20.893 28.023 -31.782 1.00 55.92 ? 357 ARG b C 1 ? ? +31888 ATOM O O . ARG V 2 356 ? 19.891 27.319 -31.844 1.00 55.84 ? 357 ARG b O 1 ? ? +31889 ATOM N N . ARG V 2 357 ? 22.110 27.531 -31.547 1.00 55.60 ? 358 ARG b N 1 ? ? +31890 ATOM C CA . ARG V 2 357 ? 22.344 26.105 -31.405 1.00 54.72 ? 358 ARG b CA 1 ? ? +31891 ATOM C CB . ARG V 2 357 ? 23.839 25.800 -31.525 1.00 55.22 ? 358 ARG b CB 1 ? ? +31892 ATOM C CG . ARG V 2 357 ? 24.337 25.875 -32.934 1.00 55.59 ? 358 ARG b CG 1 ? ? +31893 ATOM C CD . ARG V 2 357 ? 25.811 25.632 -32.977 1.00 55.98 ? 358 ARG b CD 1 ? ? +31894 ATOM N NE . ARG V 2 357 ? 26.294 25.463 -34.341 1.00 56.28 ? 358 ARG b NE 1 ? ? +31895 ATOM C CZ . ARG V 2 357 ? 27.381 24.778 -34.669 1.00 56.39 ? 358 ARG b CZ 1 ? ? +31896 ATOM N NH1 . ARG V 2 357 ? 28.221 24.332 -33.749 1.00 56.33 ? 358 ARG b NH1 1 ? ? +31897 ATOM N NH2 . ARG V 2 357 ? 27.613 24.500 -35.949 1.00 56.42 ? 358 ARG b NH2 1 ? ? +31898 ATOM C C . ARG V 2 357 ? 21.824 25.572 -30.079 1.00 53.76 ? 358 ARG b C 1 ? ? +31899 ATOM O O . ARG V 2 357 ? 21.789 26.297 -29.092 1.00 53.97 ? 358 ARG b O 1 ? ? +31900 ATOM N N . MET V 2 358 ? 21.452 24.287 -30.087 1.00 52.79 ? 359 MET b N 1 ? ? +31901 ATOM C CA . MET V 2 358 ? 20.942 23.586 -28.923 1.00 52.17 ? 359 MET b CA 1 ? ? +31902 ATOM C CB . MET V 2 358 ? 20.362 22.251 -29.376 1.00 51.52 ? 359 MET b CB 1 ? ? +31903 ATOM C CG . MET V 2 358 ? 20.029 21.305 -28.244 1.00 51.04 ? 359 MET b CG 1 ? ? +31904 ATOM S SD . MET V 2 358 ? 19.519 19.710 -28.862 1.00 50.47 ? 359 MET b SD 1 ? ? +31905 ATOM C CE . MET V 2 358 ? 17.669 19.826 -28.587 1.00 50.08 ? 359 MET b CE 1 ? ? +31906 ATOM C C . MET V 2 358 ? 22.039 23.301 -27.902 1.00 52.20 ? 359 MET b C 1 ? ? +31907 ATOM O O . MET V 2 358 ? 23.029 22.644 -28.237 1.00 52.23 ? 359 MET b O 1 ? ? +31908 ATOM N N . PRO V 2 359 ? 21.902 23.760 -26.631 1.00 52.06 ? 360 PRO b N 1 ? ? +31909 ATOM C CA . PRO V 2 359 ? 22.773 23.299 -25.549 1.00 51.78 ? 360 PRO b CA 1 ? ? +31910 ATOM C CB . PRO V 2 359 ? 22.462 24.250 -24.388 1.00 52.10 ? 360 PRO b CB 1 ? ? +31911 ATOM C CG . PRO V 2 359 ? 21.632 25.345 -24.973 1.00 52.47 ? 360 PRO b CG 1 ? ? +31912 ATOM C CD . PRO V 2 359 ? 20.951 24.789 -26.181 1.00 52.20 ? 360 PRO b CD 1 ? ? +31913 ATOM C C . PRO V 2 359 ? 22.493 21.843 -25.188 1.00 50.98 ? 360 PRO b C 1 ? ? +31914 ATOM O O . PRO V 2 359 ? 21.357 21.377 -25.279 1.00 50.71 ? 360 PRO b O 1 ? ? +31915 ATOM N N . ALA V 2 360 ? 23.541 21.134 -24.761 1.00 50.67 ? 361 ALA b N 1 ? ? +31916 ATOM C CA . ALA V 2 360 ? 23.445 19.720 -24.452 1.00 49.90 ? 361 ALA b CA 1 ? ? +31917 ATOM C CB . ALA V 2 360 ? 24.792 19.181 -24.017 1.00 49.92 ? 361 ALA b CB 1 ? ? +31918 ATOM C C . ALA V 2 360 ? 22.411 19.432 -23.371 1.00 49.44 ? 361 ALA b C 1 ? ? +31919 ATOM O O . ALA V 2 360 ? 21.949 18.312 -23.258 1.00 49.05 ? 361 ALA b O 1 ? ? +31920 ATOM N N . PHE V 2 361 ? 22.087 20.422 -22.543 1.00 49.61 ? 362 PHE b N 1 ? ? +31921 ATOM C CA . PHE V 2 361 ? 21.195 20.195 -21.424 1.00 49.31 ? 362 PHE b CA 1 ? ? +31922 ATOM C CB . PHE V 2 361 ? 21.134 21.398 -20.460 1.00 49.70 ? 362 PHE b CB 1 ? ? +31923 ATOM C CG . PHE V 2 361 ? 21.899 21.240 -19.164 1.00 49.73 ? 362 PHE b CG 1 ? ? +31924 ATOM C CD1 . PHE V 2 361 ? 21.707 20.138 -18.360 1.00 49.33 ? 362 PHE b CD1 1 ? ? +31925 ATOM C CD2 . PHE V 2 361 ? 22.762 22.218 -18.730 1.00 50.21 ? 362 PHE b CD2 1 ? ? +31926 ATOM C CE1 . PHE V 2 361 ? 22.408 19.994 -17.177 1.00 49.44 ? 362 PHE b CE1 1 ? ? +31927 ATOM C CE2 . PHE V 2 361 ? 23.442 22.075 -17.537 1.00 50.37 ? 362 PHE b CE2 1 ? ? +31928 ATOM C CZ . PHE V 2 361 ? 23.266 20.964 -16.773 1.00 49.96 ? 362 PHE b CZ 1 ? ? +31929 ATOM C C . PHE V 2 361 ? 19.785 19.888 -21.908 1.00 48.97 ? 362 PHE b C 1 ? ? +31930 ATOM O O . PHE V 2 361 ? 19.063 19.204 -21.207 1.00 48.67 ? 362 PHE b O 1 ? ? +31931 ATOM N N . PHE V 2 362 ? 19.430 20.377 -23.099 1.00 49.13 ? 363 PHE b N 1 ? ? +31932 ATOM C CA . PHE V 2 362 ? 18.050 20.403 -23.560 1.00 49.05 ? 363 PHE b CA 1 ? ? +31933 ATOM C CB . PHE V 2 362 ? 17.785 21.710 -24.314 1.00 49.44 ? 363 PHE b CB 1 ? ? +31934 ATOM C CG . PHE V 2 362 ? 17.836 22.962 -23.478 1.00 49.88 ? 363 PHE b CG 1 ? ? +31935 ATOM C CD1 . PHE V 2 362 ? 19.051 23.483 -23.053 1.00 50.18 ? 363 PHE b CD1 1 ? ? +31936 ATOM C CD2 . PHE V 2 362 ? 16.671 23.630 -23.135 1.00 49.93 ? 363 PHE b CD2 1 ? ? +31937 ATOM C CE1 . PHE V 2 362 ? 19.097 24.642 -22.304 1.00 50.63 ? 363 PHE b CE1 1 ? ? +31938 ATOM C CE2 . PHE V 2 362 ? 16.717 24.788 -22.385 1.00 50.42 ? 363 PHE b CE2 1 ? ? +31939 ATOM C CZ . PHE V 2 362 ? 17.935 25.295 -21.975 1.00 50.78 ? 363 PHE b CZ 1 ? ? +31940 ATOM C C . PHE V 2 362 ? 17.665 19.254 -24.489 1.00 48.64 ? 363 PHE b C 1 ? ? +31941 ATOM O O . PHE V 2 362 ? 18.227 19.110 -25.563 1.00 48.79 ? 363 PHE b O 1 ? ? +31942 ATOM N N . GLU V 2 363 ? 16.676 18.461 -24.082 1.00 48.34 ? 364 GLU b N 1 ? ? +31943 ATOM C CA . GLU V 2 363 ? 16.112 17.436 -24.947 1.00 48.04 ? 364 GLU b CA 1 ? ? +31944 ATOM C CB . GLU V 2 363 ? 15.120 16.563 -24.158 1.00 47.88 ? 364 GLU b CB 1 ? ? +31945 ATOM C CG . GLU V 2 363 ? 15.820 15.784 -23.054 1.00 47.86 ? 364 GLU b CG 1 ? ? +31946 ATOM C CD . GLU V 2 363 ? 16.551 14.539 -23.494 1.00 47.60 ? 364 GLU b CD 1 ? ? +31947 ATOM O OE1 . GLU V 2 363 ? 16.294 14.097 -24.629 1.00 47.71 ? 364 GLU b OE1 1 ? ? +31948 ATOM O OE2 . GLU V 2 363 ? 17.333 13.975 -22.698 1.00 47.57 ? 364 GLU b OE2 1 ? ? +31949 ATOM C C . GLU V 2 363 ? 15.413 18.066 -26.148 1.00 48.03 ? 364 GLU b C 1 ? ? +31950 ATOM O O . GLU V 2 363 ? 15.437 17.524 -27.242 1.00 47.83 ? 364 GLU b O 1 ? ? +31951 ATOM N N . SER V 2 364 ? 14.814 19.236 -25.938 1.00 48.28 ? 365 SER b N 1 ? ? +31952 ATOM C CA . SER V 2 364 ? 14.160 19.956 -27.010 1.00 48.46 ? 365 SER b CA 1 ? ? +31953 ATOM C CB . SER V 2 364 ? 12.642 19.766 -26.953 1.00 48.32 ? 365 SER b CB 1 ? ? +31954 ATOM O OG . SER V 2 364 ? 12.083 20.459 -25.855 1.00 48.56 ? 365 SER b OG 1 ? ? +31955 ATOM C C . SER V 2 364 ? 14.532 21.420 -26.853 1.00 48.95 ? 365 SER b C 1 ? ? +31956 ATOM O O . SER V 2 364 ? 14.848 21.854 -25.756 1.00 49.20 ? 365 SER b O 1 ? ? +31957 ATOM N N . PHE V 2 365 ? 14.456 22.176 -27.946 1.00 49.20 ? 366 PHE b N 1 ? ? +31958 ATOM C CA . PHE V 2 365 ? 14.897 23.556 -27.935 1.00 49.68 ? 366 PHE b CA 1 ? ? +31959 ATOM C CB . PHE V 2 365 ? 16.427 23.612 -28.183 1.00 49.74 ? 366 PHE b CB 1 ? ? +31960 ATOM C CG . PHE V 2 365 ? 17.044 24.913 -27.774 1.00 50.13 ? 366 PHE b CG 1 ? ? +31961 ATOM C CD1 . PHE V 2 365 ? 17.162 25.248 -26.440 1.00 50.14 ? 366 PHE b CD1 1 ? ? +31962 ATOM C CD2 . PHE V 2 365 ? 17.464 25.823 -28.720 1.00 50.58 ? 366 PHE b CD2 1 ? ? +31963 ATOM C CE1 . PHE V 2 365 ? 17.698 26.453 -26.060 1.00 50.64 ? 366 PHE b CE1 1 ? ? +31964 ATOM C CE2 . PHE V 2 365 ? 18.003 27.030 -28.339 1.00 51.09 ? 366 PHE b CE2 1 ? ? +31965 ATOM C CZ . PHE V 2 365 ? 18.109 27.341 -27.006 1.00 51.14 ? 366 PHE b CZ 1 ? ? +31966 ATOM C C . PHE V 2 365 ? 14.115 24.328 -28.993 1.00 50.08 ? 366 PHE b C 1 ? ? +31967 ATOM O O . PHE V 2 365 ? 13.811 23.802 -30.057 1.00 49.96 ? 366 PHE b O 1 ? ? +31968 ATOM N N . PRO V 2 366 ? 13.724 25.589 -28.732 1.00 50.68 ? 367 PRO b N 1 ? ? +31969 ATOM C CA . PRO V 2 366 ? 13.036 26.386 -29.738 1.00 51.15 ? 367 PRO b CA 1 ? ? +31970 ATOM C CB . PRO V 2 366 ? 12.538 27.572 -28.934 1.00 51.51 ? 367 PRO b CB 1 ? ? +31971 ATOM C CG . PRO V 2 366 ? 13.415 27.648 -27.759 1.00 51.49 ? 367 PRO b CG 1 ? ? +31972 ATOM C CD . PRO V 2 366 ? 13.864 26.286 -27.448 1.00 50.91 ? 367 PRO b CD 1 ? ? +31973 ATOM C C . PRO V 2 366 ? 13.970 26.784 -30.869 1.00 51.75 ? 367 PRO b C 1 ? ? +31974 ATOM O O . PRO V 2 366 ? 15.177 26.678 -30.732 1.00 52.07 ? 367 PRO b O 1 ? ? +31975 ATOM N N . VAL V 2 367 ? 13.389 27.223 -31.984 1.00 52.28 ? 368 VAL b N 1 ? ? +31976 ATOM C CA . VAL V 2 367 ? 14.118 27.660 -33.153 1.00 52.84 ? 368 VAL b CA 1 ? ? +31977 ATOM C CB . VAL V 2 367 ? 13.495 27.066 -34.419 1.00 52.63 ? 368 VAL b CB 1 ? ? +31978 ATOM C CG1 . VAL V 2 367 ? 14.060 27.696 -35.691 1.00 53.16 ? 368 VAL b CG1 1 ? ? +31979 ATOM C CG2 . VAL V 2 367 ? 13.683 25.563 -34.438 1.00 51.98 ? 368 VAL b CG2 1 ? ? +31980 ATOM C C . VAL V 2 367 ? 14.120 29.178 -33.165 1.00 53.92 ? 368 VAL b C 1 ? ? +31981 ATOM O O . VAL V 2 367 ? 13.091 29.790 -33.399 1.00 54.15 ? 368 VAL b O 1 ? ? +31982 ATOM N N . ILE V 2 368 ? 15.293 29.767 -32.913 1.00 54.94 ? 369 ILE b N 1 ? ? +31983 ATOM C CA . ILE V 2 368 ? 15.440 31.208 -32.849 1.00 55.97 ? 369 ILE b CA 1 ? ? +31984 ATOM C CB . ILE V 2 368 ? 15.628 31.616 -31.380 1.00 56.13 ? 369 ILE b CB 1 ? ? +31985 ATOM C CG1 . ILE V 2 368 ? 14.390 31.208 -30.543 1.00 55.79 ? 369 ILE b CG1 1 ? ? +31986 ATOM C CG2 . ILE V 2 368 ? 15.906 33.098 -31.254 1.00 56.96 ? 369 ILE b CG2 1 ? ? +31987 ATOM C CD1 . ILE V 2 368 ? 14.607 31.196 -29.072 1.00 55.69 ? 369 ILE b CD1 1 ? ? +31988 ATOM C C . ILE V 2 368 ? 16.603 31.614 -33.743 1.00 56.85 ? 369 ILE b C 1 ? ? +31989 ATOM O O . ILE V 2 368 ? 17.651 30.978 -33.710 1.00 56.70 ? 369 ILE b O 1 ? ? +31990 ATOM N N . LEU V 2 369 ? 16.388 32.661 -34.553 1.00 57.96 ? 370 LEU b N 1 ? ? +31991 ATOM C CA . LEU V 2 369 ? 17.403 33.175 -35.459 1.00 58.89 ? 370 LEU b CA 1 ? ? +31992 ATOM C CB . LEU V 2 369 ? 16.947 33.091 -36.922 1.00 58.93 ? 370 LEU b CB 1 ? ? +31993 ATOM C CG . LEU V 2 369 ? 16.911 31.693 -37.533 1.00 58.31 ? 370 LEU b CG 1 ? ? +31994 ATOM C CD1 . LEU V 2 369 ? 15.683 30.931 -37.093 1.00 57.81 ? 370 LEU b CD1 1 ? ? +31995 ATOM C CD2 . LEU V 2 369 ? 16.925 31.741 -39.012 1.00 58.59 ? 370 LEU b CD2 1 ? ? +31996 ATOM C C . LEU V 2 369 ? 17.730 34.621 -35.105 1.00 60.26 ? 370 LEU b C 1 ? ? +31997 ATOM O O . LEU V 2 369 ? 16.834 35.454 -35.027 1.00 60.46 ? 370 LEU b O 1 ? ? +31998 ATOM N N . THR V 2 370 ? 19.019 34.900 -34.872 1.00 61.51 ? 371 THR b N 1 ? ? +31999 ATOM C CA . THR V 2 370 ? 19.493 36.237 -34.557 1.00 62.99 ? 371 THR b CA 1 ? ? +32000 ATOM C CB . THR V 2 370 ? 20.324 36.207 -33.290 1.00 63.06 ? 371 THR b CB 1 ? ? +32001 ATOM O OG1 . THR V 2 370 ? 21.376 35.253 -33.458 1.00 63.05 ? 371 THR b OG1 1 ? ? +32002 ATOM C CG2 . THR V 2 370 ? 19.512 35.836 -32.060 1.00 62.58 ? 371 THR b CG2 1 ? ? +32003 ATOM C C . THR V 2 370 ? 20.313 36.790 -35.713 1.00 64.64 ? 371 THR b C 1 ? ? +32004 ATOM O O . THR V 2 370 ? 20.781 36.031 -36.557 1.00 64.71 ? 371 THR b O 1 ? ? +32005 ATOM N N . ASP V 2 371 ? 20.479 38.116 -35.740 1.00 66.93 ? 372 ASP b N 1 ? ? +32006 ATOM C CA . ASP V 2 371 ? 21.497 38.750 -36.565 1.00 68.60 ? 372 ASP b CA 1 ? ? +32007 ATOM C CB . ASP V 2 371 ? 21.147 40.231 -36.809 1.00 69.34 ? 372 ASP b CB 1 ? ? +32008 ATOM C CG . ASP V 2 371 ? 21.131 41.112 -35.578 1.00 69.83 ? 372 ASP b CG 1 ? ? +32009 ATOM O OD1 . ASP V 2 371 ? 21.513 40.628 -34.487 1.00 69.18 ? 372 ASP b OD1 1 ? ? +32010 ATOM O OD2 . ASP V 2 371 ? 20.743 42.283 -35.699 1.00 71.24 ? 372 ASP b OD2 1 ? ? +32011 ATOM C C . ASP V 2 371 ? 22.864 38.595 -35.896 1.00 70.12 ? 372 ASP b C 1 ? ? +32012 ATOM O O . ASP V 2 371 ? 22.961 38.040 -34.804 1.00 69.06 ? 372 ASP b O 1 ? ? +32013 ATOM N N . LYS V 2 372 ? 23.917 39.100 -36.555 1.00 73.13 ? 373 LYS b N 1 ? ? +32014 ATOM C CA . LYS V 2 372 ? 25.278 38.964 -36.058 1.00 75.19 ? 373 LYS b CA 1 ? ? +32015 ATOM C CB . LYS V 2 372 ? 26.285 39.551 -37.072 1.00 77.64 ? 373 LYS b CB 1 ? ? +32016 ATOM C CG . LYS V 2 372 ? 26.161 41.059 -37.318 1.00 80.10 ? 373 LYS b CG 1 ? ? +32017 ATOM C CD . LYS V 2 372 ? 26.867 41.515 -38.599 1.00 81.95 ? 373 LYS b CD 1 ? ? +32018 ATOM C CE . LYS V 2 372 ? 27.227 42.988 -38.565 1.00 83.70 ? 373 LYS b CE 1 ? ? +32019 ATOM N NZ . LYS V 2 372 ? 27.972 43.391 -39.786 1.00 85.46 ? 373 LYS b NZ 1 ? ? +32020 ATOM C C . LYS V 2 372 ? 25.472 39.584 -34.674 1.00 75.46 ? 373 LYS b C 1 ? ? +32021 ATOM O O . LYS V 2 372 ? 26.293 39.098 -33.904 1.00 74.92 ? 373 LYS b O 1 ? ? +32022 ATOM N N . ASN V 2 373 ? 24.678 40.617 -34.352 1.00 76.27 ? 374 ASN b N 1 ? ? +32023 ATOM C CA . ASN V 2 373 ? 24.641 41.218 -33.023 1.00 76.50 ? 374 ASN b CA 1 ? ? +32024 ATOM C CB . ASN V 2 373 ? 24.012 42.612 -33.079 1.00 78.33 ? 374 ASN b CB 1 ? ? +32025 ATOM C CG . ASN V 2 373 ? 24.637 43.528 -34.077 1.00 80.46 ? 374 ASN b CG 1 ? ? +32026 ATOM O OD1 . ASN V 2 373 ? 24.006 43.931 -35.071 1.00 81.62 ? 374 ASN b OD1 1 ? ? +32027 ATOM N ND2 . ASN V 2 373 ? 25.890 43.869 -33.836 1.00 81.32 ? 374 ASN b ND2 1 ? ? +32028 ATOM C C . ASN V 2 373 ? 23.843 40.458 -31.965 1.00 74.83 ? 374 ASN b C 1 ? ? +32029 ATOM O O . ASN V 2 373 ? 23.715 40.927 -30.839 1.00 75.14 ? 374 ASN b O 1 ? ? +32030 ATOM N N . GLY V 2 374 ? 23.261 39.309 -32.327 1.00 73.26 ? 375 GLY b N 1 ? ? +32031 ATOM C CA . GLY V 2 374 ? 22.472 38.533 -31.385 1.00 71.58 ? 375 GLY b CA 1 ? ? +32032 ATOM C C . GLY V 2 374 ? 21.064 39.065 -31.103 1.00 70.67 ? 375 GLY b C 1 ? ? +32033 ATOM O O . GLY V 2 374 ? 20.435 38.644 -30.133 1.00 70.55 ? 375 GLY b O 1 ? ? +32034 ATOM N N . VAL V 2 375 ? 20.572 39.981 -31.949 1.00 70.06 ? 376 VAL b N 1 ? ? +32035 ATOM C CA . VAL V 2 375 ? 19.198 40.456 -31.870 1.00 69.48 ? 376 VAL b CA 1 ? ? +32036 ATOM C CB . VAL V 2 375 ? 19.058 41.892 -32.443 1.00 70.70 ? 376 VAL b CB 1 ? ? +32037 ATOM C CG1 . VAL V 2 375 ? 17.602 42.336 -32.520 1.00 70.67 ? 376 VAL b CG1 1 ? ? +32038 ATOM C CG2 . VAL V 2 375 ? 19.874 42.880 -31.621 1.00 71.67 ? 376 VAL b CG2 1 ? ? +32039 ATOM C C . VAL V 2 375 ? 18.289 39.473 -32.603 1.00 67.79 ? 376 VAL b C 1 ? ? +32040 ATOM O O . VAL V 2 375 ? 18.614 39.059 -33.714 1.00 67.19 ? 376 VAL b O 1 ? ? +32041 ATOM N N . VAL V 2 376 ? 17.155 39.124 -31.974 1.00 66.41 ? 377 VAL b N 1 ? ? +32042 ATOM C CA . VAL V 2 376 ? 16.209 38.168 -32.529 1.00 64.98 ? 377 VAL b CA 1 ? ? +32043 ATOM C CB . VAL V 2 376 ? 15.143 37.755 -31.497 1.00 64.47 ? 377 VAL b CB 1 ? ? +32044 ATOM C CG1 . VAL V 2 376 ? 14.084 36.847 -32.127 1.00 63.88 ? 377 VAL b CG1 1 ? ? +32045 ATOM C CG2 . VAL V 2 376 ? 15.775 37.089 -30.281 1.00 64.10 ? 377 VAL b CG2 1 ? ? +32046 ATOM C C . VAL V 2 376 ? 15.538 38.752 -33.767 1.00 64.82 ? 377 VAL b C 1 ? ? +32047 ATOM O O . VAL V 2 376 ? 15.016 39.861 -33.714 1.00 65.37 ? 377 VAL b O 1 ? ? +32048 ATOM N N . LYS V 2 377 ? 15.555 37.992 -34.867 1.00 64.14 ? 378 LYS b N 1 ? ? +32049 ATOM C CA . LYS V 2 377 ? 14.952 38.419 -36.119 1.00 64.43 ? 378 LYS b CA 1 ? ? +32050 ATOM C CB . LYS V 2 377 ? 16.036 38.630 -37.176 1.00 65.52 ? 378 LYS b CB 1 ? ? +32051 ATOM C CG . LYS V 2 377 ? 16.987 39.777 -36.853 1.00 66.94 ? 378 LYS b CG 1 ? ? +32052 ATOM C CD . LYS V 2 377 ? 16.281 41.170 -36.734 1.00 68.04 ? 378 LYS b CD 1 ? ? +32053 ATOM C CE . LYS V 2 377 ? 16.479 42.091 -37.903 1.00 69.29 ? 378 LYS b CE 1 ? ? +32054 ATOM N NZ . LYS V 2 377 ? 17.842 42.712 -37.856 1.00 70.23 ? 378 LYS b NZ 1 ? ? +32055 ATOM C C . LYS V 2 377 ? 13.913 37.449 -36.679 1.00 63.14 ? 378 LYS b C 1 ? ? +32056 ATOM O O . LYS V 2 377 ? 13.053 37.845 -37.461 1.00 63.67 ? 378 LYS b O 1 ? ? +32057 ATOM N N . ALA V 2 378 ? 14.000 36.176 -36.296 1.00 61.47 ? 379 ALA b N 1 ? ? +32058 ATOM C CA . ALA V 2 378 ? 13.024 35.203 -36.739 1.00 60.26 ? 379 ALA b CA 1 ? ? +32059 ATOM C CB . ALA V 2 378 ? 13.356 34.723 -38.130 1.00 60.29 ? 379 ALA b CB 1 ? ? +32060 ATOM C C . ALA V 2 378 ? 12.956 34.030 -35.774 1.00 59.07 ? 379 ALA b C 1 ? ? +32061 ATOM O O . ALA V 2 378 ? 13.932 33.725 -35.090 1.00 59.07 ? 379 ALA b O 1 ? ? +32062 ATOM N N . ASP V 2 379 ? 11.786 33.386 -35.730 1.00 58.08 ? 380 ASP b N 1 ? ? +32063 ATOM C CA . ASP V 2 379 ? 11.589 32.206 -34.911 1.00 56.96 ? 380 ASP b CA 1 ? ? +32064 ATOM C CB . ASP V 2 379 ? 11.290 32.592 -33.447 1.00 56.85 ? 380 ASP b CB 1 ? ? +32065 ATOM C CG . ASP V 2 379 ? 10.087 33.503 -33.239 1.00 57.04 ? 380 ASP b CG 1 ? ? +32066 ATOM O OD1 . ASP V 2 379 ? 9.069 33.308 -33.937 1.00 56.95 ? 380 ASP b OD1 1 ? ? +32067 ATOM O OD2 . ASP V 2 379 ? 10.153 34.383 -32.349 1.00 57.02 ? 380 ASP b OD2 1 ? ? +32068 ATOM C C . ASP V 2 379 ? 10.458 31.347 -35.465 1.00 56.39 ? 380 ASP b C 1 ? ? +32069 ATOM O O . ASP V 2 379 ? 9.752 31.744 -36.387 1.00 56.77 ? 380 ASP b O 1 ? ? +32070 ATOM N N . ILE V 2 380 ? 10.314 30.143 -34.911 1.00 55.42 ? 381 ILE b N 1 ? ? +32071 ATOM C CA . ILE V 2 380 ? 9.124 29.346 -35.133 1.00 54.82 ? 381 ILE b CA 1 ? ? +32072 ATOM C CB . ILE V 2 380 ? 9.417 27.866 -35.388 1.00 54.21 ? 381 ILE b CB 1 ? ? +32073 ATOM C CG1 . ILE V 2 380 ? 10.305 27.703 -36.615 1.00 54.31 ? 381 ILE b CG1 1 ? ? +32074 ATOM C CG2 . ILE V 2 380 ? 8.121 27.092 -35.542 1.00 53.87 ? 381 ILE b CG2 1 ? ? +32075 ATOM C CD1 . ILE V 2 380 ? 10.776 26.352 -36.828 1.00 53.84 ? 381 ILE b CD1 1 ? ? +32076 ATOM C C . ILE V 2 380 ? 8.239 29.581 -33.916 1.00 54.48 ? 381 ILE b C 1 ? ? +32077 ATOM O O . ILE V 2 380 ? 8.574 29.192 -32.806 1.00 53.92 ? 381 ILE b O 1 ? ? +32078 ATOM N N . PRO V 2 381 ? 7.086 30.257 -34.085 1.00 54.78 ? 382 PRO b N 1 ? ? +32079 ATOM C CA . PRO V 2 381 ? 6.241 30.602 -32.947 1.00 54.68 ? 382 PRO b CA 1 ? ? +32080 ATOM C CB . PRO V 2 381 ? 5.302 31.643 -33.532 1.00 55.26 ? 382 PRO b CB 1 ? ? +32081 ATOM C CG . PRO V 2 381 ? 5.196 31.242 -34.970 1.00 55.33 ? 382 PRO b CG 1 ? ? +32082 ATOM C CD . PRO V 2 381 ? 6.542 30.740 -35.364 1.00 55.14 ? 382 PRO b CD 1 ? ? +32083 ATOM C C . PRO V 2 381 ? 5.490 29.397 -32.399 1.00 53.92 ? 382 PRO b C 1 ? ? +32084 ATOM O O . PRO V 2 381 ? 5.221 28.444 -33.123 1.00 53.59 ? 382 PRO b O 1 ? ? +32085 ATOM N N A PHE V 2 382 ? 5.164 29.467 -31.106 0.40 53.84 ? 383 PHE b N 1 ? ? +32086 ATOM N N B PHE V 2 382 ? 5.200 29.443 -31.099 0.60 53.75 ? 383 PHE b N 1 ? ? +32087 ATOM C CA A PHE V 2 382 ? 4.283 28.509 -30.468 0.40 53.44 ? 383 PHE b CA 1 ? ? +32088 ATOM C CA B PHE V 2 382 ? 4.300 28.493 -30.476 0.60 53.32 ? 383 PHE b CA 1 ? ? +32089 ATOM C C A PHE V 2 382 ? 2.854 29.026 -30.624 0.40 53.88 ? 383 PHE b C 1 ? ? +32090 ATOM C C B PHE V 2 382 ? 2.877 29.025 -30.660 0.60 53.77 ? 383 PHE b C 1 ? ? +32091 ATOM O O A PHE V 2 382 ? 2.080 28.446 -31.376 0.40 53.77 ? 383 PHE b O 1 ? ? +32092 ATOM O O B PHE V 2 382 ? 2.130 28.470 -31.456 0.60 53.67 ? 383 PHE b O 1 ? ? +32093 ATOM C CB A PHE V 2 382 ? 4.704 28.307 -29.016 0.40 53.14 ? 383 PHE b CB 1 ? ? +32094 ATOM C CB B PHE V 2 382 ? 4.708 28.271 -29.022 0.60 52.98 ? 383 PHE b CB 1 ? ? +32095 ATOM C CG A PHE V 2 382 ? 4.049 27.135 -28.337 0.40 52.57 ? 383 PHE b CG 1 ? ? +32096 ATOM C CG B PHE V 2 382 ? 4.046 27.096 -28.359 0.60 52.38 ? 383 PHE b CG 1 ? ? +32097 ATOM C CD1 A PHE V 2 382 ? 2.760 27.231 -27.845 0.40 52.59 ? 383 PHE b CD1 1 ? ? +32098 ATOM C CD1 B PHE V 2 382 ? 2.747 27.185 -27.890 0.60 52.37 ? 383 PHE b CD1 1 ? ? +32099 ATOM C CD2 A PHE V 2 382 ? 4.719 25.937 -28.194 0.40 52.02 ? 383 PHE b CD2 1 ? ? +32100 ATOM C CD2 B PHE V 2 382 ? 4.724 25.904 -28.195 0.60 51.83 ? 383 PHE b CD2 1 ? ? +32101 ATOM C CE1 A PHE V 2 382 ? 2.162 26.154 -27.211 0.40 52.13 ? 383 PHE b CE1 1 ? ? +32102 ATOM C CE1 B PHE V 2 382 ? 2.144 26.107 -27.265 0.60 51.90 ? 383 PHE b CE1 1 ? ? +32103 ATOM C CE2 A PHE V 2 382 ? 4.115 24.861 -27.564 0.40 51.61 ? 383 PHE b CE2 1 ? ? +32104 ATOM C CE2 B PHE V 2 382 ? 4.113 24.825 -27.571 0.60 51.43 ? 383 PHE b CE2 1 ? ? +32105 ATOM C CZ A PHE V 2 382 ? 2.838 24.978 -27.075 0.40 51.65 ? 383 PHE b CZ 1 ? ? +32106 ATOM C CZ B PHE V 2 382 ? 2.822 24.936 -27.109 0.60 51.43 ? 383 PHE b CZ 1 ? ? +32107 ATOM N N A ARG V 2 383 ? 2.525 30.137 -29.951 0.40 54.48 ? 384 ARG b N 1 ? ? +32108 ATOM N N B ARG V 2 383 ? 2.530 30.123 -29.970 0.60 54.36 ? 384 ARG b N 1 ? ? +32109 ATOM C CA A ARG V 2 383 ? 1.268 30.833 -30.184 0.40 55.03 ? 384 ARG b CA 1 ? ? +32110 ATOM C CA B ARG V 2 383 ? 1.271 30.819 -30.196 0.60 54.90 ? 384 ARG b CA 1 ? ? +32111 ATOM C C A ARG V 2 383 ? 1.391 31.722 -31.417 0.40 55.86 ? 384 ARG b C 1 ? ? +32112 ATOM C C B ARG V 2 383 ? 1.381 31.725 -31.416 0.60 55.81 ? 384 ARG b C 1 ? ? +32113 ATOM O O A ARG V 2 383 ? 2.194 32.652 -31.421 0.40 56.39 ? 384 ARG b O 1 ? ? +32114 ATOM O O B ARG V 2 383 ? 2.141 32.690 -31.395 0.60 56.43 ? 384 ARG b O 1 ? ? +32115 ATOM C CB A ARG V 2 383 ? 0.869 31.707 -28.988 0.40 55.22 ? 384 ARG b CB 1 ? ? +32116 ATOM C CB B ARG V 2 383 ? 0.869 31.703 -29.012 0.60 55.04 ? 384 ARG b CB 1 ? ? +32117 ATOM C CG A ARG V 2 383 ? 0.245 30.957 -27.833 0.40 54.76 ? 384 ARG b CG 1 ? ? +32118 ATOM C CG B ARG V 2 383 ? 0.314 30.965 -27.835 0.60 54.54 ? 384 ARG b CG 1 ? ? +32119 ATOM C CD A ARG V 2 383 ? -0.030 31.885 -26.676 0.40 55.05 ? 384 ARG b CD 1 ? ? +32120 ATOM C CD B ARG V 2 383 ? -0.066 31.924 -26.739 0.60 54.83 ? 384 ARG b CD 1 ? ? +32121 ATOM N NE A ARG V 2 383 ? -0.692 31.191 -25.581 0.40 54.72 ? 384 ARG b NE 1 ? ? +32122 ATOM N NE B ARG V 2 383 ? -0.591 31.211 -25.582 0.60 54.46 ? 384 ARG b NE 1 ? ? +32123 ATOM C CZ A ARG V 2 383 ? -1.056 31.760 -24.442 0.40 54.91 ? 384 ARG b CZ 1 ? ? +32124 ATOM C CZ B ARG V 2 383 ? -0.999 31.787 -24.461 0.60 54.64 ? 384 ARG b CZ 1 ? ? +32125 ATOM N NH1 A ARG V 2 383 ? -0.822 33.039 -24.202 0.40 55.44 ? 384 ARG b NH1 1 ? ? +32126 ATOM N NH1 B ARG V 2 383 ? -0.922 33.095 -24.286 0.60 55.22 ? 384 ARG b NH1 1 ? ? +32127 ATOM N NH2 A ARG V 2 383 ? -1.670 31.027 -23.518 0.40 54.64 ? 384 ARG b NH2 1 ? ? +32128 ATOM N NH2 B ARG V 2 383 ? -1.490 31.028 -23.485 0.60 54.33 ? 384 ARG b NH2 1 ? ? +32129 ATOM N N . ARG V 2 384 ? 0.587 31.436 -32.451 1.00 56.17 ? 385 ARG b N 1 ? ? +32130 ATOM C CA . ARG V 2 384 ? 0.671 32.159 -33.707 1.00 57.04 ? 385 ARG b CA 1 ? ? +32131 ATOM C CB . ARG V 2 384 ? 0.036 31.384 -34.848 1.00 56.90 ? 385 ARG b CB 1 ? ? +32132 ATOM C CG . ARG V 2 384 ? 0.378 29.914 -34.914 1.00 56.15 ? 385 ARG b CG 1 ? ? +32133 ATOM C CD . ARG V 2 384 ? 1.842 29.651 -34.904 1.00 55.89 ? 385 ARG b CD 1 ? ? +32134 ATOM N NE . ARG V 2 384 ? 2.179 28.457 -35.676 1.00 55.39 ? 385 ARG b NE 1 ? ? +32135 ATOM C CZ . ARG V 2 384 ? 2.136 27.216 -35.224 1.00 54.60 ? 385 ARG b CZ 1 ? ? +32136 ATOM N NH1 . ARG V 2 384 ? 1.889 26.949 -33.960 1.00 54.35 ? 385 ARG b NH1 1 ? ? +32137 ATOM N NH2 . ARG V 2 384 ? 2.350 26.214 -36.065 1.00 54.35 ? 385 ARG b NH2 1 ? ? +32138 ATOM C C . ARG V 2 384 ? -0.008 33.521 -33.661 1.00 58.63 ? 385 ARG b C 1 ? ? +32139 ATOM O O . ARG V 2 384 ? 0.355 34.403 -34.431 1.00 59.14 ? 385 ARG b O 1 ? ? +32140 ATOM N N . ALA V 2 385 ? -0.991 33.696 -32.771 1.00 60.01 ? 386 ALA b N 1 ? ? +32141 ATOM C CA . ALA V 2 385 ? -1.897 34.834 -32.871 1.00 61.85 ? 386 ALA b CA 1 ? ? +32142 ATOM C CB . ALA V 2 385 ? -3.108 34.622 -31.983 1.00 61.82 ? 386 ALA b CB 1 ? ? +32143 ATOM C C . ALA V 2 385 ? -1.278 36.195 -32.549 1.00 63.73 ? 386 ALA b C 1 ? ? +32144 ATOM O O . ALA V 2 385 ? -1.879 37.217 -32.860 1.00 64.68 ? 386 ALA b O 1 ? ? +32145 ATOM N N . GLU V 2 386 ? -0.101 36.232 -31.908 1.00 64.83 ? 387 GLU b N 1 ? ? +32146 ATOM C CA . GLU V 2 386 ? 0.604 37.494 -31.732 1.00 66.37 ? 387 GLU b CA 1 ? ? +32147 ATOM C CB . GLU V 2 386 ? 0.475 37.988 -30.282 1.00 68.32 ? 387 GLU b CB 1 ? ? +32148 ATOM C CG . GLU V 2 386 ? -0.919 38.518 -29.944 1.00 70.75 ? 387 GLU b CG 1 ? ? +32149 ATOM C CD . GLU V 2 386 ? -1.095 39.057 -28.530 1.00 73.07 ? 387 GLU b CD 1 ? ? +32150 ATOM O OE1 . GLU V 2 386 ? -0.085 39.139 -27.788 1.00 73.99 ? 387 GLU b OE1 1 ? ? +32151 ATOM O OE2 . GLU V 2 386 ? -2.247 39.398 -28.164 1.00 75.06 ? 387 GLU b OE2 1 ? ? +32152 ATOM C C . GLU V 2 386 ? 2.060 37.351 -32.167 1.00 65.49 ? 387 GLU b C 1 ? ? +32153 ATOM O O . GLU V 2 386 ? 2.948 38.029 -31.657 1.00 65.65 ? 387 GLU b O 1 ? ? +32154 ATOM N N . SER V 2 387 ? 2.274 36.472 -33.146 1.00 64.48 ? 388 SER b N 1 ? ? +32155 ATOM C CA . SER V 2 387 ? 3.571 36.274 -33.760 1.00 63.89 ? 388 SER b CA 1 ? ? +32156 ATOM C CB . SER V 2 387 ? 3.495 35.069 -34.694 1.00 63.58 ? 388 SER b CB 1 ? ? +32157 ATOM O OG . SER V 2 387 ? 4.648 34.954 -35.510 1.00 64.17 ? 388 SER b OG 1 ? ? +32158 ATOM C C . SER V 2 387 ? 4.024 37.520 -34.519 1.00 64.08 ? 388 SER b C 1 ? ? +32159 ATOM O O . SER V 2 387 ? 3.282 38.055 -35.336 1.00 64.07 ? 388 SER b O 1 ? ? +32160 ATOM N N . LYS V 2 388 ? 5.251 37.980 -34.238 1.00 64.09 ? 389 LYS b N 1 ? ? +32161 ATOM C CA . LYS V 2 388 ? 5.876 39.048 -35.002 1.00 64.57 ? 389 LYS b CA 1 ? ? +32162 ATOM C CB . LYS V 2 388 ? 6.331 40.160 -34.061 1.00 66.15 ? 389 LYS b CB 1 ? ? +32163 ATOM C CG . LYS V 2 388 ? 5.305 40.488 -32.985 1.00 67.39 ? 389 LYS b CG 1 ? ? +32164 ATOM C CD . LYS V 2 388 ? 5.527 41.855 -32.323 1.00 69.15 ? 389 LYS b CD 1 ? ? +32165 ATOM C CE . LYS V 2 388 ? 6.777 41.912 -31.449 1.00 70.05 ? 389 LYS b CE 1 ? ? +32166 ATOM N NZ . LYS V 2 388 ? 6.483 41.512 -30.031 1.00 70.18 ? 389 LYS b NZ 1 ? ? +32167 ATOM C C . LYS V 2 388 ? 7.075 38.576 -35.821 1.00 63.21 ? 389 LYS b C 1 ? ? +32168 ATOM O O . LYS V 2 388 ? 7.493 39.268 -36.742 1.00 63.32 ? 389 LYS b O 1 ? ? +32169 ATOM N N . TYR V 2 389 ? 7.604 37.388 -35.505 1.00 61.87 ? 390 TYR b N 1 ? ? +32170 ATOM C CA . TYR V 2 389 ? 8.889 36.955 -36.037 1.00 61.20 ? 390 TYR b CA 1 ? ? +32171 ATOM C CB . TYR V 2 389 ? 9.874 36.750 -34.877 1.00 60.90 ? 390 TYR b CB 1 ? ? +32172 ATOM C CG . TYR V 2 389 ? 10.163 38.011 -34.107 1.00 61.40 ? 390 TYR b CG 1 ? ? +32173 ATOM C CD1 . TYR V 2 389 ? 10.780 39.092 -34.713 1.00 62.27 ? 390 TYR b CD1 1 ? ? +32174 ATOM C CD2 . TYR V 2 389 ? 9.832 38.119 -32.768 1.00 61.35 ? 390 TYR b CD2 1 ? ? +32175 ATOM C CE1 . TYR V 2 389 ? 11.054 40.255 -34.005 1.00 62.96 ? 390 TYR b CE1 1 ? ? +32176 ATOM C CE2 . TYR V 2 389 ? 10.091 39.275 -32.052 1.00 62.04 ? 390 TYR b CE2 1 ? ? +32177 ATOM C CZ . TYR V 2 389 ? 10.706 40.340 -32.673 1.00 62.93 ? 390 TYR b CZ 1 ? ? +32178 ATOM O OH . TYR V 2 389 ? 10.948 41.476 -31.948 1.00 63.98 ? 390 TYR b OH 1 ? ? +32179 ATOM C C . TYR V 2 389 ? 8.845 35.679 -36.872 1.00 60.06 ? 390 TYR b C 1 ? ? +32180 ATOM O O . TYR V 2 389 ? 9.878 35.061 -37.113 1.00 59.58 ? 390 TYR b O 1 ? ? +32181 ATOM N N . SER V 2 390 ? 7.650 35.289 -37.322 1.00 59.56 ? 391 SER b N 1 ? ? +32182 ATOM C CA . SER V 2 390 ? 7.513 34.076 -38.109 1.00 58.81 ? 391 SER b CA 1 ? ? +32183 ATOM C CB . SER V 2 390 ? 6.058 33.816 -38.478 1.00 58.70 ? 391 SER b CB 1 ? ? +32184 ATOM O OG . SER V 2 390 ? 5.540 34.860 -39.276 1.00 59.32 ? 391 SER b OG 1 ? ? +32185 ATOM C C . SER V 2 390 ? 8.371 34.163 -39.368 1.00 58.86 ? 391 SER b C 1 ? ? +32186 ATOM O O . SER V 2 390 ? 8.675 35.249 -39.839 1.00 59.73 ? 391 SER b O 1 ? ? +32187 ATOM N N . PHE V 2 391 ? 8.748 33.005 -39.911 1.00 58.06 ? 392 PHE b N 1 ? ? +32188 ATOM C CA . PHE V 2 391 ? 9.459 32.944 -41.174 1.00 58.11 ? 392 PHE b CA 1 ? ? +32189 ATOM C CB . PHE V 2 391 ? 9.841 31.495 -41.490 1.00 57.61 ? 392 PHE b CB 1 ? ? +32190 ATOM C CG . PHE V 2 391 ? 10.987 30.922 -40.679 1.00 57.36 ? 392 PHE b CG 1 ? ? +32191 ATOM C CD1 . PHE V 2 391 ? 11.262 31.386 -39.401 1.00 57.43 ? 392 PHE b CD1 1 ? ? +32192 ATOM C CD2 . PHE V 2 391 ? 11.773 29.905 -41.185 1.00 57.00 ? 392 PHE b CD2 1 ? ? +32193 ATOM C CE1 . PHE V 2 391 ? 12.297 30.840 -38.655 1.00 57.05 ? 392 PHE b CE1 1 ? ? +32194 ATOM C CE2 . PHE V 2 391 ? 12.805 29.374 -40.439 1.00 56.69 ? 392 PHE b CE2 1 ? ? +32195 ATOM C CZ . PHE V 2 391 ? 13.061 29.846 -39.180 1.00 56.70 ? 392 PHE b CZ 1 ? ? +32196 ATOM C C . PHE V 2 391 ? 8.629 33.524 -42.315 1.00 58.36 ? 392 PHE b C 1 ? ? +32197 ATOM O O . PHE V 2 391 ? 9.159 34.105 -43.257 1.00 58.68 ? 392 PHE b O 1 ? ? +32198 ATOM N N . GLU V 2 392 ? 7.310 33.345 -42.212 1.00 58.24 ? 393 GLU b N 1 ? ? +32199 ATOM C CA . GLU V 2 392 ? 6.371 33.861 -43.194 1.00 58.51 ? 393 GLU b CA 1 ? ? +32200 ATOM C CB . GLU V 2 392 ? 4.975 33.286 -42.948 1.00 58.12 ? 393 GLU b CB 1 ? ? +32201 ATOM C CG . GLU V 2 392 ? 4.856 31.786 -43.178 1.00 57.31 ? 393 GLU b CG 1 ? ? +32202 ATOM C CD . GLU V 2 392 ? 5.134 30.898 -41.987 1.00 56.56 ? 393 GLU b CD 1 ? ? +32203 ATOM O OE1 . GLU V 2 392 ? 5.561 31.425 -40.941 1.00 56.62 ? 393 GLU b OE1 1 ? ? +32204 ATOM O OE2 . GLU V 2 392 ? 4.911 29.673 -42.090 1.00 55.93 ? 393 GLU b OE2 1 ? ? +32205 ATOM C C . GLU V 2 392 ? 6.329 35.388 -43.192 1.00 59.20 ? 393 GLU b C 1 ? ? +32206 ATOM O O . GLU V 2 392 ? 6.304 35.997 -44.251 1.00 59.94 ? 393 GLU b O 1 ? ? +32207 ATOM N N . GLN V 2 393 ? 6.343 36.005 -42.006 1.00 59.18 ? 394 GLN b N 1 ? ? +32208 ATOM C CA . GLN V 2 393 ? 6.375 37.454 -41.893 1.00 59.87 ? 394 GLN b CA 1 ? ? +32209 ATOM C CB . GLN V 2 393 ? 6.096 37.881 -40.450 1.00 59.73 ? 394 GLN b CB 1 ? ? +32210 ATOM C CG . GLN V 2 393 ? 4.622 37.782 -40.102 1.00 59.62 ? 394 GLN b CG 1 ? ? +32211 ATOM C CD . GLN V 2 393 ? 4.358 37.765 -38.628 1.00 59.22 ? 394 GLN b CD 1 ? ? +32212 ATOM O OE1 . GLN V 2 393 ? 4.814 36.866 -37.915 1.00 58.68 ? 394 GLN b OE1 1 ? ? +32213 ATOM N NE2 . GLN V 2 393 ? 3.607 38.728 -38.136 1.00 59.54 ? 394 GLN b NE2 1 ? ? +32214 ATOM C C . GLN V 2 393 ? 7.708 38.050 -42.322 1.00 60.49 ? 394 GLN b C 1 ? ? +32215 ATOM O O . GLN V 2 393 ? 7.742 39.145 -42.871 1.00 61.23 ? 394 GLN b O 1 ? ? +32216 ATOM N N . GLN V 2 394 ? 8.799 37.327 -42.040 1.00 60.42 ? 395 GLN b N 1 ? ? +32217 ATOM C CA . GLN V 2 394 ? 10.151 37.840 -42.212 1.00 60.96 ? 395 GLN b CA 1 ? ? +32218 ATOM C CB . GLN V 2 394 ? 11.028 37.412 -41.030 1.00 60.39 ? 395 GLN b CB 1 ? ? +32219 ATOM C CG . GLN V 2 394 ? 10.583 37.925 -39.677 1.00 60.26 ? 395 GLN b CG 1 ? ? +32220 ATOM C CD . GLN V 2 394 ? 10.467 39.414 -39.606 1.00 61.07 ? 395 GLN b CD 1 ? ? +32221 ATOM O OE1 . GLN V 2 394 ? 11.206 40.161 -40.236 1.00 61.78 ? 395 GLN b OE1 1 ? ? +32222 ATOM N NE2 . GLN V 2 394 ? 9.517 39.896 -38.847 1.00 61.18 ? 395 GLN b NE2 1 ? ? +32223 ATOM C C . GLN V 2 394 ? 10.811 37.364 -43.504 1.00 61.36 ? 395 GLN b C 1 ? ? +32224 ATOM O O . GLN V 2 394 ? 11.960 37.709 -43.763 1.00 61.60 ? 395 GLN b O 1 ? ? +32225 ATOM N N . GLY V 2 395 ? 10.080 36.561 -44.292 1.00 61.49 ? 396 GLY b N 1 ? ? +32226 ATOM C CA . GLY V 2 395 ? 10.553 36.078 -45.579 1.00 61.93 ? 396 GLY b CA 1 ? ? +32227 ATOM C C . GLY V 2 395 ? 11.894 35.355 -45.499 1.00 62.07 ? 396 GLY b C 1 ? ? +32228 ATOM O O . GLY V 2 395 ? 12.815 35.669 -46.252 1.00 62.90 ? 396 GLY b O 1 ? ? +32229 ATOM N N . VAL V 2 396 ? 11.992 34.392 -44.578 1.00 61.64 ? 397 VAL b N 1 ? ? +32230 ATOM C CA . VAL V 2 396 ? 13.248 33.714 -44.317 1.00 61.61 ? 397 VAL b CA 1 ? ? +32231 ATOM C CB . VAL V 2 396 ? 13.266 33.035 -42.927 1.00 60.90 ? 397 VAL b CB 1 ? ? +32232 ATOM C CG1 . VAL V 2 396 ? 14.594 32.310 -42.686 1.00 60.66 ? 397 VAL b CG1 1 ? ? +32233 ATOM C CG2 . VAL V 2 396 ? 12.997 34.033 -41.813 1.00 61.00 ? 397 VAL b CG2 1 ? ? +32234 ATOM C C . VAL V 2 396 ? 13.503 32.707 -45.436 1.00 61.84 ? 397 VAL b C 1 ? ? +32235 ATOM O O . VAL V 2 396 ? 12.628 31.906 -45.752 1.00 61.72 ? 397 VAL b O 1 ? ? +32236 ATOM N N . THR V 2 397 ? 14.701 32.772 -46.031 1.00 62.47 ? 398 THR b N 1 ? ? +32237 ATOM C CA . THR V 2 397 ? 15.149 31.803 -47.019 1.00 62.49 ? 398 THR b CA 1 ? ? +32238 ATOM C CB . THR V 2 397 ? 15.455 32.487 -48.330 1.00 63.37 ? 398 THR b CB 1 ? ? +32239 ATOM O OG1 . THR V 2 397 ? 16.464 33.469 -48.108 1.00 63.94 ? 398 THR b OG1 1 ? ? +32240 ATOM C CG2 . THR V 2 397 ? 14.242 33.147 -48.916 1.00 63.90 ? 398 THR b CG2 1 ? ? +32241 ATOM C C . THR V 2 397 ? 16.380 31.092 -46.477 1.00 62.17 ? 398 THR b C 1 ? ? +32242 ATOM O O . THR V 2 397 ? 16.988 31.568 -45.529 1.00 62.47 ? 398 THR b O 1 ? ? +32243 ATOM N N . VAL V 2 398 ? 16.715 29.944 -47.068 1.00 61.91 ? 399 VAL b N 1 ? ? +32244 ATOM C CA . VAL V 2 398 ? 17.957 29.263 -46.754 1.00 61.91 ? 399 VAL b CA 1 ? ? +32245 ATOM C CB . VAL V 2 398 ? 17.724 28.054 -45.819 1.00 61.36 ? 399 VAL b CB 1 ? ? +32246 ATOM C CG1 . VAL V 2 398 ? 16.893 26.970 -46.484 1.00 61.06 ? 399 VAL b CG1 1 ? ? +32247 ATOM C CG2 . VAL V 2 398 ? 19.052 27.487 -45.309 1.00 61.30 ? 399 VAL b CG2 1 ? ? +32248 ATOM C C . VAL V 2 398 ? 18.657 28.874 -48.056 1.00 62.05 ? 399 VAL b C 1 ? ? +32249 ATOM O O . VAL V 2 398 ? 18.020 28.380 -48.984 1.00 61.56 ? 399 VAL b O 1 ? ? +32250 ATOM N N . SER V 2 399 ? 19.970 29.142 -48.113 1.00 62.53 ? 400 SER b N 1 ? ? +32251 ATOM C CA . SER V 2 399 ? 20.822 28.713 -49.211 1.00 62.81 ? 400 SER b CA 1 ? ? +32252 ATOM C CB . SER V 2 399 ? 21.445 29.914 -49.899 1.00 63.77 ? 400 SER b CB 1 ? ? +32253 ATOM O OG . SER V 2 399 ? 20.448 30.835 -50.292 1.00 64.43 ? 400 SER b OG 1 ? ? +32254 ATOM C C . SER V 2 399 ? 21.918 27.785 -48.695 1.00 62.67 ? 400 SER b C 1 ? ? +32255 ATOM O O . SER V 2 399 ? 22.453 28.012 -47.610 1.00 63.03 ? 400 SER b O 1 ? ? +32256 ATOM N N . PHE V 2 400 ? 22.244 26.744 -49.472 1.00 62.52 ? 401 PHE b N 1 ? ? +32257 ATOM C CA . PHE V 2 400 ? 23.291 25.808 -49.099 1.00 62.47 ? 401 PHE b CA 1 ? ? +32258 ATOM C CB . PHE V 2 400 ? 22.805 24.380 -49.305 1.00 61.46 ? 401 PHE b CB 1 ? ? +32259 ATOM C CG . PHE V 2 400 ? 21.851 23.939 -48.231 1.00 60.81 ? 401 PHE b CG 1 ? ? +32260 ATOM C CD2 . PHE V 2 400 ? 22.309 23.261 -47.118 1.00 60.28 ? 401 PHE b CD2 1 ? ? +32261 ATOM C CD1 . PHE V 2 400 ? 20.496 24.228 -48.320 1.00 60.59 ? 401 PHE b CD1 1 ? ? +32262 ATOM C CE2 . PHE V 2 400 ? 21.428 22.865 -46.118 1.00 59.87 ? 401 PHE b CE2 1 ? ? +32263 ATOM C CE1 . PHE V 2 400 ? 19.621 23.846 -47.319 1.00 59.96 ? 401 PHE b CE1 1 ? ? +32264 ATOM C CZ . PHE V 2 400 ? 20.080 23.146 -46.232 1.00 59.75 ? 401 PHE b CZ 1 ? ? +32265 ATOM C C . PHE V 2 400 ? 24.580 26.039 -49.883 1.00 63.79 ? 401 PHE b C 1 ? ? +32266 ATOM O O . PHE V 2 400 ? 24.539 26.191 -51.100 1.00 64.19 ? 401 PHE b O 1 ? ? +32267 ATOM N N . TYR V 2 401 ? 25.711 26.063 -49.162 1.00 65.05 ? 402 TYR b N 1 ? ? +32268 ATOM C CA . TYR V 2 401 ? 27.040 26.126 -49.754 1.00 66.57 ? 402 TYR b CA 1 ? ? +32269 ATOM C CB . TYR V 2 401 ? 27.758 27.422 -49.363 1.00 68.02 ? 402 TYR b CB 1 ? ? +32270 ATOM C CG . TYR V 2 401 ? 26.934 28.644 -49.688 1.00 69.69 ? 402 TYR b CG 1 ? ? +32271 ATOM C CD1 . TYR V 2 401 ? 26.919 29.180 -50.969 1.00 70.71 ? 402 TYR b CD1 1 ? ? +32272 ATOM C CD2 . TYR V 2 401 ? 26.103 29.219 -48.736 1.00 70.26 ? 402 TYR b CD2 1 ? ? +32273 ATOM C CE1 . TYR V 2 401 ? 26.136 30.290 -51.282 1.00 71.50 ? 402 TYR b CE1 1 ? ? +32274 ATOM C CE2 . TYR V 2 401 ? 25.307 30.320 -49.040 1.00 70.94 ? 402 TYR b CE2 1 ? ? +32275 ATOM C CZ . TYR V 2 401 ? 25.329 30.857 -50.312 1.00 71.51 ? 402 TYR b CZ 1 ? ? +32276 ATOM O OH . TYR V 2 401 ? 24.545 31.948 -50.594 1.00 72.23 ? 402 TYR b OH 1 ? ? +32277 ATOM C C . TYR V 2 401 ? 27.842 24.912 -49.305 1.00 66.30 ? 402 TYR b C 1 ? ? +32278 ATOM O O . TYR V 2 401 ? 27.875 24.594 -48.122 1.00 66.17 ? 402 TYR b O 1 ? ? +32279 ATOM N N . GLY V 2 402 ? 28.484 24.244 -50.269 1.00 67.05 ? 403 GLY b N 1 ? ? +32280 ATOM C CA . GLY V 2 402 ? 29.172 22.992 -50.015 1.00 66.88 ? 403 GLY b CA 1 ? ? +32281 ATOM C C . GLY V 2 402 ? 28.175 21.844 -49.914 1.00 66.68 ? 403 GLY b C 1 ? ? +32282 ATOM O O . GLY V 2 402 ? 26.966 22.053 -49.979 1.00 65.97 ? 403 GLY b O 1 ? ? +32283 ATOM N N . GLY V 2 403 ? 28.701 20.629 -49.786 1.00 67.31 ? 404 GLY b N 1 ? ? +32284 ATOM C CA . GLY V 2 403 ? 27.864 19.460 -49.601 1.00 67.05 ? 404 GLY b CA 1 ? ? +32285 ATOM C C . GLY V 2 403 ? 26.937 19.200 -50.780 1.00 67.40 ? 404 GLY b C 1 ? ? +32286 ATOM O O . GLY V 2 403 ? 27.088 19.780 -51.847 1.00 67.82 ? 404 GLY b O 1 ? ? +32287 ATOM N N . GLU V 2 404 ? 25.945 18.351 -50.535 1.00 68.55 ? 405 GLU b N 1 ? ? +32288 ATOM C CA . GLU V 2 404 ? 25.094 17.810 -51.577 1.00 69.32 ? 405 GLU b CA 1 ? ? +32289 ATOM C CB . GLU V 2 404 ? 24.318 16.623 -50.996 1.00 71.52 ? 405 GLU b CB 1 ? ? +32290 ATOM C CG . GLU V 2 404 ? 24.000 15.528 -51.989 1.00 75.17 ? 405 GLU b CG 1 ? ? +32291 ATOM C CD . GLU V 2 404 ? 23.838 14.171 -51.325 1.00 78.38 ? 405 GLU b CD 1 ? ? +32292 ATOM O OE1 . GLU V 2 404 ? 22.938 14.044 -50.462 1.00 80.24 ? 405 GLU b OE1 1 ? ? +32293 ATOM O OE2 . GLU V 2 404 ? 24.628 13.247 -51.645 1.00 81.46 ? 405 GLU b OE2 1 ? ? +32294 ATOM C C . GLU V 2 404 ? 24.110 18.828 -52.138 1.00 67.71 ? 405 GLU b C 1 ? ? +32295 ATOM O O . GLU V 2 404 ? 23.660 18.676 -53.264 1.00 68.59 ? 405 GLU b O 1 ? ? +32296 ATOM N N . LEU V 2 405 ? 23.768 19.852 -51.349 1.00 65.74 ? 406 LEU b N 1 ? ? +32297 ATOM C CA . LEU V 2 405 ? 22.817 20.856 -51.794 1.00 65.01 ? 406 LEU b CA 1 ? ? +32298 ATOM C CB . LEU V 2 405 ? 21.821 21.176 -50.661 1.00 64.64 ? 406 LEU b CB 1 ? ? +32299 ATOM C CG . LEU V 2 405 ? 20.941 19.997 -50.208 1.00 63.43 ? 406 LEU b CG 1 ? ? +32300 ATOM C CD1 . LEU V 2 405 ? 19.838 20.436 -49.308 1.00 63.07 ? 406 LEU b CD1 1 ? ? +32301 ATOM C CD2 . LEU V 2 405 ? 20.346 19.260 -51.390 1.00 63.30 ? 406 LEU b CD2 1 ? ? +32302 ATOM C C . LEU V 2 405 ? 23.503 22.135 -52.265 1.00 65.51 ? 406 LEU b C 1 ? ? +32303 ATOM O O . LEU V 2 405 ? 22.837 23.146 -52.495 1.00 65.80 ? 406 LEU b O 1 ? ? +32304 ATOM N N . ASN V 2 406 ? 24.832 22.074 -52.437 1.00 64.86 ? 407 ASN b N 1 ? ? +32305 ATOM C CA . ASN V 2 406 ? 25.606 23.231 -52.842 1.00 64.93 ? 407 ASN b CA 1 ? ? +32306 ATOM C CB . ASN V 2 406 ? 26.984 22.797 -53.278 1.00 64.80 ? 407 ASN b CB 1 ? ? +32307 ATOM C CG . ASN V 2 406 ? 27.790 23.927 -53.859 1.00 65.03 ? 407 ASN b CG 1 ? ? +32308 ATOM O OD1 . ASN V 2 406 ? 28.123 24.911 -53.191 1.00 64.90 ? 407 ASN b OD1 1 ? ? +32309 ATOM N ND2 . ASN V 2 406 ? 28.098 23.821 -55.129 1.00 65.36 ? 407 ASN b ND2 1 ? ? +32310 ATOM C C . ASN V 2 406 ? 24.919 23.990 -53.972 1.00 65.41 ? 407 ASN b C 1 ? ? +32311 ATOM O O . ASN V 2 406 ? 24.587 23.403 -54.992 1.00 65.65 ? 407 ASN b O 1 ? ? +32312 ATOM N N . GLY V 2 407 ? 24.685 25.289 -53.768 1.00 65.98 ? 408 GLY b N 1 ? ? +32313 ATOM C CA . GLY V 2 407 ? 24.174 26.150 -54.821 1.00 66.91 ? 408 GLY b CA 1 ? ? +32314 ATOM C C . GLY V 2 407 ? 22.660 26.345 -54.814 1.00 67.00 ? 408 GLY b C 1 ? ? +32315 ATOM O O . GLY V 2 407 ? 22.146 27.235 -55.480 1.00 67.38 ? 408 GLY b O 1 ? ? +32316 ATOM N N . GLN V 2 408 ? 21.943 25.521 -54.051 1.00 66.88 ? 409 GLN b N 1 ? ? +32317 ATOM C CA . GLN V 2 408 ? 20.495 25.595 -54.035 1.00 67.30 ? 409 GLN b CA 1 ? ? +32318 ATOM C CB . GLN V 2 408 ? 19.921 24.208 -53.831 1.00 67.72 ? 409 GLN b CB 1 ? ? +32319 ATOM C CG . GLN V 2 408 ? 20.199 23.290 -54.995 1.00 68.51 ? 409 GLN b CG 1 ? ? +32320 ATOM C CD . GLN V 2 408 ? 19.570 21.956 -54.754 1.00 69.01 ? 409 GLN b CD 1 ? ? +32321 ATOM O OE1 . GLN V 2 408 ? 18.364 21.855 -54.459 1.00 70.97 ? 409 GLN b OE1 1 ? ? +32322 ATOM N NE2 . GLN V 2 408 ? 20.373 20.898 -54.834 1.00 69.02 ? 409 GLN b NE2 1 ? ? +32323 ATOM C C . GLN V 2 408 ? 19.976 26.544 -52.960 1.00 66.98 ? 409 GLN b C 1 ? ? +32324 ATOM O O . GLN V 2 408 ? 20.550 26.643 -51.878 1.00 66.91 ? 409 GLN b O 1 ? ? +32325 ATOM N N . THR V 2 409 ? 18.891 27.246 -53.293 1.00 67.12 ? 410 THR b N 1 ? ? +32326 ATOM C CA . THR V 2 409 ? 18.164 28.082 -52.352 1.00 67.45 ? 410 THR b CA 1 ? ? +32327 ATOM C CB . THR V 2 409 ? 18.210 29.528 -52.799 1.00 68.21 ? 410 THR b CB 1 ? ? +32328 ATOM O OG1 . THR V 2 409 ? 19.544 29.971 -52.726 1.00 68.79 ? 410 THR b OG1 1 ? ? +32329 ATOM C CG2 . THR V 2 409 ? 17.355 30.430 -51.949 1.00 68.54 ? 410 THR b CG2 1 ? ? +32330 ATOM C C . THR V 2 409 ? 16.724 27.585 -52.235 1.00 67.12 ? 410 THR b C 1 ? ? +32331 ATOM O O . THR V 2 409 ? 16.107 27.243 -53.235 1.00 66.81 ? 410 THR b O 1 ? ? +32332 ATOM N N . PHE V 2 410 ? 16.208 27.546 -51.003 1.00 67.15 ? 411 PHE b N 1 ? ? +32333 ATOM C CA . PHE V 2 410 ? 14.824 27.191 -50.740 1.00 66.77 ? 411 PHE b CA 1 ? ? +32334 ATOM C CB . PHE V 2 410 ? 14.762 26.008 -49.794 1.00 66.02 ? 411 PHE b CB 1 ? ? +32335 ATOM C CG . PHE V 2 410 ? 15.388 24.767 -50.368 1.00 65.90 ? 411 PHE b CG 1 ? ? +32336 ATOM C CD1 . PHE V 2 410 ? 14.696 23.973 -51.263 1.00 65.60 ? 411 PHE b CD1 1 ? ? +32337 ATOM C CD2 . PHE V 2 410 ? 16.679 24.406 -50.033 1.00 66.19 ? 411 PHE b CD2 1 ? ? +32338 ATOM C CE1 . PHE V 2 410 ? 15.270 22.824 -51.791 1.00 65.47 ? 411 PHE b CE1 1 ? ? +32339 ATOM C CE2 . PHE V 2 410 ? 17.260 23.264 -50.574 1.00 66.05 ? 411 PHE b CE2 1 ? ? +32340 ATOM C CZ . PHE V 2 410 ? 16.550 22.478 -51.454 1.00 65.73 ? 411 PHE b CZ 1 ? ? +32341 ATOM C C . PHE V 2 410 ? 14.102 28.392 -50.142 1.00 67.68 ? 411 PHE b C 1 ? ? +32342 ATOM O O . PHE V 2 410 ? 14.635 29.038 -49.240 1.00 67.81 ? 411 PHE b O 1 ? ? +32343 ATOM N N . THR V 2 411 ? 12.902 28.688 -50.664 1.00 68.46 ? 412 THR b N 1 ? ? +32344 ATOM C CA . THR V 2 411 ? 12.151 29.868 -50.262 1.00 69.09 ? 412 THR b CA 1 ? ? +32345 ATOM C CB . THR V 2 411 ? 11.907 30.778 -51.448 1.00 69.71 ? 412 THR b CB 1 ? ? +32346 ATOM O OG1 . THR V 2 411 ? 11.210 30.037 -52.433 1.00 70.06 ? 412 THR b OG1 1 ? ? +32347 ATOM C CG2 . THR V 2 411 ? 13.173 31.321 -52.032 1.00 70.17 ? 412 THR b CG2 1 ? ? +32348 ATOM C C . THR V 2 411 ? 10.797 29.582 -49.627 1.00 69.48 ? 412 THR b C 1 ? ? +32349 ATOM O O . THR V 2 411 ? 10.247 30.454 -48.967 1.00 70.75 ? 412 THR b O 1 ? ? +32350 ATOM N N . ASP V 2 412 ? 10.247 28.383 -49.839 1.00 69.95 ? 413 ASP b N 1 ? ? +32351 ATOM C CA . ASP V 2 412 ? 8.938 28.063 -49.294 1.00 70.66 ? 413 ASP b CA 1 ? ? +32352 ATOM C CB . ASP V 2 412 ? 8.287 26.900 -50.043 1.00 72.31 ? 413 ASP b CB 1 ? ? +32353 ATOM C CG . ASP V 2 412 ? 8.947 25.566 -49.817 1.00 74.71 ? 413 ASP b CG 1 ? ? +32354 ATOM O OD1 . ASP V 2 412 ? 10.150 25.413 -50.215 1.00 77.56 ? 413 ASP b OD1 1 ? ? +32355 ATOM O OD2 . ASP V 2 412 ? 8.281 24.669 -49.232 1.00 75.97 ? 413 ASP b OD2 1 ? ? +32356 ATOM C C . ASP V 2 412 ? 9.057 27.779 -47.796 1.00 69.51 ? 413 ASP b C 1 ? ? +32357 ATOM O O . ASP V 2 412 ? 9.880 26.969 -47.369 1.00 69.43 ? 413 ASP b O 1 ? ? +32358 ATOM N N . PRO V 2 413 ? 8.247 28.450 -46.945 1.00 68.74 ? 414 PRO b N 1 ? ? +32359 ATOM C CA . PRO V 2 413 ? 8.417 28.375 -45.490 1.00 67.74 ? 414 PRO b CA 1 ? ? +32360 ATOM C CB . PRO V 2 413 ? 7.219 29.180 -44.968 1.00 68.00 ? 414 PRO b CB 1 ? ? +32361 ATOM C CG . PRO V 2 413 ? 6.880 30.119 -46.088 1.00 68.76 ? 414 PRO b CG 1 ? ? +32362 ATOM C CD . PRO V 2 413 ? 7.141 29.339 -47.339 1.00 69.01 ? 414 PRO b CD 1 ? ? +32363 ATOM C C . PRO V 2 413 ? 8.475 26.979 -44.869 1.00 66.53 ? 414 PRO b C 1 ? ? +32364 ATOM O O . PRO V 2 413 ? 9.274 26.746 -43.963 1.00 65.67 ? 414 PRO b O 1 ? ? +32365 ATOM N N . PRO V 2 414 ? 7.643 25.997 -45.289 1.00 65.82 ? 415 PRO b N 1 ? ? +32366 ATOM C CA . PRO V 2 414 ? 7.753 24.645 -44.736 1.00 64.35 ? 415 PRO b CA 1 ? ? +32367 ATOM C CB . PRO V 2 414 ? 6.707 23.851 -45.515 1.00 64.01 ? 415 PRO b CB 1 ? ? +32368 ATOM C CG . PRO V 2 414 ? 5.717 24.892 -45.960 1.00 65.15 ? 415 PRO b CG 1 ? ? +32369 ATOM C CD . PRO V 2 414 ? 6.535 26.125 -46.247 1.00 65.86 ? 415 PRO b CD 1 ? ? +32370 ATOM C C . PRO V 2 414 ? 9.164 24.073 -44.861 1.00 62.92 ? 415 PRO b C 1 ? ? +32371 ATOM O O . PRO V 2 414 ? 9.700 23.560 -43.890 1.00 62.47 ? 415 PRO b O 1 ? ? +32372 ATOM N N . THR V 2 415 ? 9.770 24.181 -46.046 1.00 62.66 ? 416 THR b N 1 ? ? +32373 ATOM C CA . THR V 2 415 ? 11.106 23.647 -46.263 1.00 61.89 ? 416 THR b CA 1 ? ? +32374 ATOM C CB . THR V 2 415 ? 11.435 23.658 -47.754 1.00 62.45 ? 416 THR b CB 1 ? ? +32375 ATOM O OG1 . THR V 2 415 ? 10.321 23.118 -48.460 1.00 62.35 ? 416 THR b OG1 1 ? ? +32376 ATOM C CG2 . THR V 2 415 ? 12.692 22.865 -48.084 1.00 62.26 ? 416 THR b CG2 1 ? ? +32377 ATOM C C . THR V 2 415 ? 12.160 24.400 -45.454 1.00 61.37 ? 416 THR b C 1 ? ? +32378 ATOM O O . THR V 2 415 ? 13.035 23.782 -44.852 1.00 61.57 ? 416 THR b O 1 ? ? +32379 ATOM N N . VAL V 2 416 ? 12.062 25.732 -45.433 1.00 61.06 ? 417 VAL b N 1 ? ? +32380 ATOM C CA . VAL V 2 416 ? 12.997 26.554 -44.686 1.00 60.86 ? 417 VAL b CA 1 ? ? +32381 ATOM C CB . VAL V 2 416 ? 12.725 28.046 -44.923 1.00 61.60 ? 417 VAL b CB 1 ? ? +32382 ATOM C CG1 . VAL V 2 416 ? 13.720 28.912 -44.149 1.00 61.96 ? 417 VAL b CG1 1 ? ? +32383 ATOM C CG2 . VAL V 2 416 ? 12.768 28.383 -46.404 1.00 62.04 ? 417 VAL b CG2 1 ? ? +32384 ATOM C C . VAL V 2 416 ? 12.951 26.216 -43.197 1.00 60.02 ? 417 VAL b C 1 ? ? +32385 ATOM O O . VAL V 2 416 ? 13.991 26.064 -42.560 1.00 59.59 ? 417 VAL b O 1 ? ? +32386 ATOM N N . LYS V 2 417 ? 11.735 26.106 -42.651 1.00 59.73 ? 418 LYS b N 1 ? ? +32387 ATOM C CA . LYS V 2 417 ? 11.543 25.731 -41.259 1.00 59.07 ? 418 LYS b CA 1 ? ? +32388 ATOM C CB . LYS V 2 417 ? 10.051 25.707 -40.900 1.00 59.00 ? 418 LYS b CB 1 ? ? +32389 ATOM C CG . LYS V 2 417 ? 9.355 27.036 -40.819 1.00 59.62 ? 418 LYS b CG 1 ? ? +32390 ATOM C CD . LYS V 2 417 ? 7.862 26.830 -40.535 1.00 59.34 ? 418 LYS b CD 1 ? ? +32391 ATOM C CE . LYS V 2 417 ? 7.081 28.090 -40.611 1.00 59.98 ? 418 LYS b CE 1 ? ? +32392 ATOM N NZ . LYS V 2 417 ? 5.651 27.859 -40.300 1.00 59.87 ? 418 LYS b NZ 1 ? ? +32393 ATOM C C . LYS V 2 417 ? 12.130 24.352 -40.962 1.00 58.19 ? 418 LYS b C 1 ? ? +32394 ATOM O O . LYS V 2 417 ? 12.645 24.107 -39.874 1.00 58.00 ? 418 LYS b O 1 ? ? +32395 ATOM N N . SER V 2 418 ? 12.010 23.441 -41.930 1.00 57.83 ? 419 SER b N 1 ? ? +32396 ATOM C CA . SER V 2 418 ? 12.561 22.107 -41.803 1.00 57.63 ? 419 SER b CA 1 ? ? +32397 ATOM C CB . SER V 2 418 ? 12.221 21.299 -43.041 1.00 57.71 ? 419 SER b CB 1 ? ? +32398 ATOM O OG . SER V 2 418 ? 12.289 19.924 -42.725 1.00 57.98 ? 419 SER b OG 1 ? ? +32399 ATOM C C . SER V 2 418 ? 14.078 22.131 -41.577 1.00 57.93 ? 419 SER b C 1 ? ? +32400 ATOM O O . SER V 2 418 ? 14.582 21.498 -40.653 1.00 57.83 ? 419 SER b O 1 ? ? +32401 ATOM N N . TYR V 2 419 ? 14.805 22.870 -42.420 1.00 57.95 ? 420 TYR b N 1 ? ? +32402 ATOM C CA . TYR V 2 419 ? 16.249 22.951 -42.288 1.00 58.00 ? 420 TYR b CA 1 ? ? +32403 ATOM C CB . TYR V 2 419 ? 16.896 23.541 -43.563 1.00 58.52 ? 420 TYR b CB 1 ? ? +32404 ATOM C CG . TYR V 2 419 ? 16.896 22.538 -44.695 1.00 58.29 ? 420 TYR b CG 1 ? ? +32405 ATOM C CD1 . TYR V 2 419 ? 17.530 21.314 -44.560 1.00 57.69 ? 420 TYR b CD1 1 ? ? +32406 ATOM C CD2 . TYR V 2 419 ? 16.227 22.796 -45.885 1.00 58.59 ? 420 TYR b CD2 1 ? ? +32407 ATOM C CE1 . TYR V 2 419 ? 17.511 20.377 -45.579 1.00 57.56 ? 420 TYR b CE1 1 ? ? +32408 ATOM C CE2 . TYR V 2 419 ? 16.209 21.865 -46.915 1.00 58.29 ? 420 TYR b CE2 1 ? ? +32409 ATOM C CZ . TYR V 2 419 ? 16.855 20.656 -46.757 1.00 57.83 ? 420 TYR b CZ 1 ? ? +32410 ATOM O OH . TYR V 2 419 ? 16.854 19.712 -47.752 1.00 58.08 ? 420 TYR b OH 1 ? ? +32411 ATOM C C . TYR V 2 419 ? 16.647 23.726 -41.039 1.00 58.05 ? 420 TYR b C 1 ? ? +32412 ATOM O O . TYR V 2 419 ? 17.635 23.383 -40.407 1.00 58.14 ? 420 TYR b O 1 ? ? +32413 ATOM N N . ALA V 2 420 ? 15.867 24.742 -40.662 1.00 58.21 ? 421 ALA b N 1 ? ? +32414 ATOM C CA . ALA V 2 420 ? 16.181 25.507 -39.468 1.00 58.17 ? 421 ALA b CA 1 ? ? +32415 ATOM C CB . ALA V 2 420 ? 15.291 26.730 -39.363 1.00 58.62 ? 421 ALA b CB 1 ? ? +32416 ATOM C C . ALA V 2 420 ? 16.077 24.641 -38.214 1.00 57.58 ? 421 ALA b C 1 ? ? +32417 ATOM O O . ALA V 2 420 ? 16.898 24.782 -37.311 1.00 57.79 ? 421 ALA b O 1 ? ? +32418 ATOM N N . ARG V 2 421 ? 15.093 23.728 -38.171 1.00 56.93 ? 422 ARG b N 1 ? ? +32419 ATOM C CA . ARG V 2 421 ? 14.985 22.759 -37.090 1.00 56.29 ? 422 ARG b CA 1 ? ? +32420 ATOM C CB . ARG V 2 421 ? 13.772 21.828 -37.243 1.00 56.11 ? 422 ARG b CB 1 ? ? +32421 ATOM C CG . ARG V 2 421 ? 12.468 22.436 -36.871 1.00 56.74 ? 422 ARG b CG 1 ? ? +32422 ATOM C CD . ARG V 2 421 ? 11.364 21.392 -36.908 1.00 56.86 ? 422 ARG b CD 1 ? ? +32423 ATOM N NE . ARG V 2 421 ? 10.117 22.010 -37.334 1.00 57.67 ? 422 ARG b NE 1 ? ? +32424 ATOM C CZ . ARG V 2 421 ? 9.684 22.032 -38.584 1.00 58.17 ? 422 ARG b CZ 1 ? ? +32425 ATOM N NH1 . ARG V 2 421 ? 10.058 21.119 -39.465 1.00 58.25 ? 422 ARG b NH1 1 ? ? +32426 ATOM N NH2 . ARG V 2 421 ? 8.849 22.993 -38.962 1.00 58.87 ? 422 ARG b NH2 1 ? ? +32427 ATOM C C . ARG V 2 421 ? 16.211 21.860 -36.996 1.00 55.51 ? 422 ARG b C 1 ? ? +32428 ATOM O O . ARG V 2 421 ? 16.616 21.495 -35.898 1.00 55.16 ? 422 ARG b O 1 ? ? +32429 ATOM N N . LYS V 2 422 ? 16.765 21.475 -38.145 1.00 55.35 ? 423 LYS b N 1 ? ? +32430 ATOM C CA . LYS V 2 422 ? 17.988 20.692 -38.156 1.00 55.18 ? 423 LYS b CA 1 ? ? +32431 ATOM C CB . LYS V 2 422 ? 18.206 20.040 -39.528 1.00 55.26 ? 423 LYS b CB 1 ? ? +32432 ATOM C CG . LYS V 2 422 ? 17.087 19.134 -39.955 1.00 54.82 ? 423 LYS b CG 1 ? ? +32433 ATOM C CD . LYS V 2 422 ? 16.829 18.023 -38.988 1.00 54.46 ? 423 LYS b CD 1 ? ? +32434 ATOM C CE . LYS V 2 422 ? 15.545 17.325 -39.313 1.00 54.49 ? 423 LYS b CE 1 ? ? +32435 ATOM N NZ . LYS V 2 422 ? 15.282 16.242 -38.340 1.00 54.22 ? 423 LYS b NZ 1 ? ? +32436 ATOM C C . LYS V 2 422 ? 19.218 21.517 -37.789 1.00 55.25 ? 423 LYS b C 1 ? ? +32437 ATOM O O . LYS V 2 422 ? 20.174 20.971 -37.256 1.00 55.23 ? 423 LYS b O 1 ? ? +32438 ATOM N N . ALA V 2 423 ? 19.184 22.825 -38.069 1.00 55.73 ? 424 ALA b N 1 ? ? +32439 ATOM C CA . ALA V 2 423 ? 20.337 23.693 -37.874 1.00 56.13 ? 424 ALA b CA 1 ? ? +32440 ATOM C CB . ALA V 2 423 ? 20.103 25.037 -38.538 1.00 56.61 ? 424 ALA b CB 1 ? ? +32441 ATOM C C . ALA V 2 423 ? 20.689 23.893 -36.401 1.00 56.10 ? 424 ALA b C 1 ? ? +32442 ATOM O O . ALA V 2 423 ? 21.834 24.191 -36.067 1.00 56.67 ? 424 ALA b O 1 ? ? +32443 ATOM N N . ILE V 2 424 ? 19.712 23.694 -35.509 1.00 55.47 ? 425 ILE b N 1 ? ? +32444 ATOM C CA . ILE V 2 424 ? 19.976 23.796 -34.085 1.00 55.08 ? 425 ILE b CA 1 ? ? +32445 ATOM C CB . ILE V 2 424 ? 18.659 23.779 -33.237 1.00 54.89 ? 425 ILE b CB 1 ? ? +32446 ATOM C CG1 . ILE V 2 424 ? 18.016 22.418 -33.181 1.00 54.28 ? 425 ILE b CG1 1 ? ? +32447 ATOM C CG2 . ILE V 2 424 ? 17.661 24.820 -33.720 1.00 55.29 ? 425 ILE b CG2 1 ? ? +32448 ATOM C CD1 . ILE V 2 424 ? 16.797 22.375 -32.243 1.00 54.17 ? 425 ILE b CD1 1 ? ? +32449 ATOM C C . ILE V 2 424 ? 20.939 22.699 -33.637 1.00 54.38 ? 425 ILE b C 1 ? ? +32450 ATOM O O . ILE V 2 424 ? 21.577 22.843 -32.603 1.00 54.69 ? 425 ILE b O 1 ? ? +32451 ATOM N N . PHE V 2 425 ? 21.021 21.605 -34.406 1.00 53.68 ? 426 PHE b N 1 ? ? +32452 ATOM C CA . PHE V 2 425 ? 21.953 20.525 -34.125 1.00 53.16 ? 426 PHE b CA 1 ? ? +32453 ATOM C CB . PHE V 2 425 ? 21.422 19.181 -34.672 1.00 52.58 ? 426 PHE b CB 1 ? ? +32454 ATOM C CG . PHE V 2 425 ? 20.009 18.814 -34.262 1.00 52.19 ? 426 PHE b CG 1 ? ? +32455 ATOM C CD1 . PHE V 2 425 ? 19.556 19.044 -32.975 1.00 52.05 ? 426 PHE b CD1 1 ? ? +32456 ATOM C CD2 . PHE V 2 425 ? 19.150 18.201 -35.153 1.00 51.97 ? 426 PHE b CD2 1 ? ? +32457 ATOM C CE1 . PHE V 2 425 ? 18.264 18.691 -32.605 1.00 51.73 ? 426 PHE b CE1 1 ? ? +32458 ATOM C CE2 . PHE V 2 425 ? 17.860 17.852 -34.779 1.00 51.44 ? 426 PHE b CE2 1 ? ? +32459 ATOM C CZ . PHE V 2 425 ? 17.423 18.105 -33.512 1.00 51.42 ? 426 PHE b CZ 1 ? ? +32460 ATOM C C . PHE V 2 425 ? 23.338 20.760 -34.721 1.00 53.41 ? 426 PHE b C 1 ? ? +32461 ATOM O O . PHE V 2 425 ? 24.216 19.915 -34.586 1.00 53.29 ? 426 PHE b O 1 ? ? +32462 ATOM N N . GLY V 2 426 ? 23.529 21.895 -35.395 1.00 53.78 ? 427 GLY b N 1 ? ? +32463 ATOM C CA . GLY V 2 426 ? 24.787 22.173 -36.065 1.00 54.15 ? 427 GLY b CA 1 ? ? +32464 ATOM C C . GLY V 2 426 ? 24.706 21.844 -37.552 1.00 54.14 ? 427 GLY b C 1 ? ? +32465 ATOM O O . GLY V 2 426 ? 23.703 22.126 -38.196 1.00 54.39 ? 427 GLY b O 1 ? ? +32466 ATOM N N . GLU V 2 427 ? 25.771 21.254 -38.097 1.00 54.01 ? 428 GLU b N 1 ? ? +32467 ATOM C CA . GLU V 2 427 ? 25.819 20.968 -39.516 1.00 53.95 ? 428 GLU b CA 1 ? ? +32468 ATOM C CB . GLU V 2 427 ? 27.232 20.588 -39.952 1.00 54.00 ? 428 GLU b CB 1 ? ? +32469 ATOM C CG . GLU V 2 427 ? 28.149 21.789 -40.029 1.00 54.56 ? 428 GLU b CG 1 ? ? +32470 ATOM C CD . GLU V 2 427 ? 27.740 22.820 -41.046 1.00 54.82 ? 428 GLU b CD 1 ? ? +32471 ATOM O OE1 . GLU V 2 427 ? 27.222 22.398 -42.090 1.00 54.64 ? 428 GLU b OE1 1 ? ? +32472 ATOM O OE2 . GLU V 2 427 ? 27.948 24.030 -40.828 1.00 55.36 ? 428 GLU b OE2 1 ? ? +32473 ATOM C C . GLU V 2 427 ? 24.828 19.863 -39.844 1.00 53.44 ? 428 GLU b C 1 ? ? +32474 ATOM O O . GLU V 2 427 ? 24.628 18.952 -39.047 1.00 52.95 ? 428 GLU b O 1 ? ? +32475 ATOM N N . ILE V 2 428 ? 24.252 19.954 -41.045 1.00 53.75 ? 429 ILE b N 1 ? ? +32476 ATOM C CA . ILE V 2 428 ? 23.122 19.131 -41.433 1.00 53.54 ? 429 ILE b CA 1 ? ? +32477 ATOM C CB . ILE V 2 428 ? 22.051 20.013 -42.101 1.00 53.49 ? 429 ILE b CB 1 ? ? +32478 ATOM C CG1 . ILE V 2 428 ? 21.586 21.123 -41.145 1.00 53.51 ? 429 ILE b CG1 1 ? ? +32479 ATOM C CG2 . ILE V 2 428 ? 20.893 19.160 -42.582 1.00 53.15 ? 429 ILE b CG2 1 ? ? +32480 ATOM C CD1 . ILE V 2 428 ? 20.778 22.240 -41.787 1.00 53.88 ? 429 ILE b CD1 1 ? ? +32481 ATOM C C . ILE V 2 428 ? 23.579 17.995 -42.340 1.00 54.00 ? 429 ILE b C 1 ? ? +32482 ATOM O O . ILE V 2 428 ? 24.330 18.231 -43.289 1.00 54.68 ? 429 ILE b O 1 ? ? +32483 ATOM N N . PHE V 2 429 ? 23.098 16.782 -42.035 1.00 53.98 ? 430 PHE b N 1 ? ? +32484 ATOM C CA . PHE V 2 429 ? 23.520 15.571 -42.715 1.00 54.47 ? 430 PHE b CA 1 ? ? +32485 ATOM C CB . PHE V 2 429 ? 24.385 14.711 -41.773 1.00 53.81 ? 430 PHE b CB 1 ? ? +32486 ATOM C CG . PHE V 2 429 ? 25.775 15.278 -41.626 1.00 54.04 ? 430 PHE b CG 1 ? ? +32487 ATOM C CD1 . PHE V 2 429 ? 26.037 16.295 -40.729 1.00 54.22 ? 430 PHE b CD1 1 ? ? +32488 ATOM C CD2 . PHE V 2 429 ? 26.804 14.847 -42.437 1.00 54.20 ? 430 PHE b CD2 1 ? ? +32489 ATOM C CE1 . PHE V 2 429 ? 27.309 16.843 -40.630 1.00 54.52 ? 430 PHE b CE1 1 ? ? +32490 ATOM C CE2 . PHE V 2 429 ? 28.074 15.400 -42.330 1.00 54.53 ? 430 PHE b CE2 1 ? ? +32491 ATOM C CZ . PHE V 2 429 ? 28.311 16.392 -41.434 1.00 54.64 ? 430 PHE b CZ 1 ? ? +32492 ATOM C C . PHE V 2 429 ? 22.329 14.776 -43.251 1.00 55.54 ? 430 PHE b C 1 ? ? +32493 ATOM O O . PHE V 2 429 ? 21.221 14.864 -42.723 1.00 55.29 ? 430 PHE b O 1 ? ? +32494 ATOM N N . GLU V 2 430 ? 22.581 14.026 -44.332 1.00 57.20 ? 431 GLU b N 1 ? ? +32495 ATOM C CA . GLU V 2 430 ? 21.666 13.018 -44.837 1.00 58.53 ? 431 GLU b CA 1 ? ? +32496 ATOM C CB . GLU V 2 430 ? 21.869 12.790 -46.343 1.00 61.99 ? 431 GLU b CB 1 ? ? +32497 ATOM C CG . GLU V 2 430 ? 20.955 11.734 -46.951 1.00 65.21 ? 431 GLU b CG 1 ? ? +32498 ATOM C CD . GLU V 2 430 ? 19.502 12.158 -47.098 1.00 71.15 ? 431 GLU b CD 1 ? ? +32499 ATOM O OE1 . GLU V 2 430 ? 19.238 13.383 -47.064 1.00 74.95 ? 431 GLU b OE1 1 ? ? +32500 ATOM O OE2 . GLU V 2 430 ? 18.615 11.271 -47.208 1.00 77.13 ? 431 GLU b OE2 1 ? ? +32501 ATOM C C . GLU V 2 430 ? 21.959 11.738 -44.065 1.00 56.98 ? 431 GLU b C 1 ? ? +32502 ATOM O O . GLU V 2 430 ? 23.127 11.372 -43.919 1.00 57.33 ? 431 GLU b O 1 ? ? +32503 ATOM N N . PHE V 2 431 ? 20.896 11.091 -43.571 1.00 55.11 ? 432 PHE b N 1 ? ? +32504 ATOM C CA . PHE V 2 431 ? 20.999 9.870 -42.789 1.00 53.87 ? 432 PHE b CA 1 ? ? +32505 ATOM C CB . PHE V 2 431 ? 20.506 10.096 -41.359 1.00 53.09 ? 432 PHE b CB 1 ? ? +32506 ATOM C CG . PHE V 2 431 ? 21.381 10.964 -40.503 1.00 52.82 ? 432 PHE b CG 1 ? ? +32507 ATOM C CD1 . PHE V 2 431 ? 22.423 10.417 -39.774 1.00 52.56 ? 432 PHE b CD1 1 ? ? +32508 ATOM C CD2 . PHE V 2 431 ? 21.159 12.327 -40.420 1.00 52.88 ? 432 PHE b CD2 1 ? ? +32509 ATOM C CE1 . PHE V 2 431 ? 23.222 11.219 -38.973 1.00 52.70 ? 432 PHE b CE1 1 ? ? +32510 ATOM C CE2 . PHE V 2 431 ? 21.956 13.120 -39.631 1.00 53.22 ? 432 PHE b CE2 1 ? ? +32511 ATOM C CZ . PHE V 2 431 ? 22.996 12.564 -38.919 1.00 53.14 ? 432 PHE b CZ 1 ? ? +32512 ATOM C C . PHE V 2 431 ? 20.149 8.747 -43.372 1.00 53.31 ? 432 PHE b C 1 ? ? +32513 ATOM O O . PHE V 2 431 ? 19.019 8.995 -43.788 1.00 52.99 ? 432 PHE b O 1 ? ? +32514 ATOM N N . ASP V 2 432 ? 20.703 7.527 -43.377 1.00 52.79 ? 433 ASP b N 1 ? ? +32515 ATOM C CA . ASP V 2 432 ? 19.939 6.326 -43.640 1.00 52.57 ? 433 ASP b CA 1 ? ? +32516 ATOM C CB . ASP V 2 432 ? 20.814 5.222 -44.234 1.00 52.55 ? 433 ASP b CB 1 ? ? +32517 ATOM C CG . ASP V 2 432 ? 20.193 3.827 -44.248 1.00 52.33 ? 433 ASP b CG 1 ? ? +32518 ATOM O OD1 . ASP V 2 432 ? 19.011 3.691 -43.862 1.00 52.68 ? 433 ASP b OD1 1 ? ? +32519 ATOM O OD2 . ASP V 2 432 ? 20.880 2.879 -44.623 1.00 51.90 ? 433 ASP b OD2 1 ? ? +32520 ATOM C C . ASP V 2 432 ? 19.313 5.893 -42.318 1.00 52.72 ? 433 ASP b C 1 ? ? +32521 ATOM O O . ASP V 2 432 ? 20.026 5.479 -41.408 1.00 52.78 ? 433 ASP b O 1 ? ? +32522 ATOM N N . THR V 2 433 ? 17.980 6.038 -42.211 1.00 52.93 ? 434 THR b N 1 ? ? +32523 ATOM C CA . THR V 2 433 ? 17.241 5.576 -41.048 1.00 52.69 ? 434 THR b CA 1 ? ? +32524 ATOM C CB . THR V 2 433 ? 16.165 6.552 -40.639 1.00 52.70 ? 434 THR b CB 1 ? ? +32525 ATOM O OG1 . THR V 2 433 ? 15.250 6.729 -41.716 1.00 53.07 ? 434 THR b OG1 1 ? ? +32526 ATOM C CG2 . THR V 2 433 ? 16.711 7.868 -40.246 1.00 53.05 ? 434 THR b CG2 1 ? ? +32527 ATOM C C . THR V 2 433 ? 16.586 4.215 -41.254 1.00 52.81 ? 434 THR b C 1 ? ? +32528 ATOM O O . THR V 2 433 ? 16.109 3.646 -40.285 1.00 51.99 ? 434 THR b O 1 ? ? +32529 ATOM N N . GLU V 2 434 ? 16.618 3.683 -42.483 1.00 54.31 ? 435 GLU b N 1 ? ? +32530 ATOM C CA . GLU V 2 434 ? 15.944 2.433 -42.798 1.00 55.83 ? 435 GLU b CA 1 ? ? +32531 ATOM C CB . GLU V 2 434 ? 15.604 2.346 -44.303 1.00 59.65 ? 435 GLU b CB 1 ? ? +32532 ATOM C CG . GLU V 2 434 ? 14.517 3.293 -44.790 1.00 63.78 ? 435 GLU b CG 1 ? ? +32533 ATOM C CD . GLU V 2 434 ? 13.258 3.295 -43.945 1.00 69.72 ? 435 GLU b CD 1 ? ? +32534 ATOM O OE1 . GLU V 2 434 ? 13.259 3.949 -42.869 1.00 73.27 ? 435 GLU b OE1 1 ? ? +32535 ATOM O OE2 . GLU V 2 434 ? 12.276 2.621 -44.344 1.00 76.06 ? 435 GLU b OE2 1 ? ? +32536 ATOM C C . GLU V 2 434 ? 16.740 1.190 -42.412 1.00 54.09 ? 435 GLU b C 1 ? ? +32537 ATOM O O . GLU V 2 434 ? 16.212 0.301 -41.753 1.00 53.86 ? 435 GLU b O 1 ? ? +32538 ATOM N N . THR V 2 435 ? 18.016 1.131 -42.816 1.00 52.71 ? 436 THR b N 1 ? ? +32539 ATOM C CA . THR V 2 435 ? 18.824 -0.061 -42.624 1.00 51.26 ? 436 THR b CA 1 ? ? +32540 ATOM C CB . THR V 2 435 ? 20.291 0.239 -42.990 1.00 51.83 ? 436 THR b CB 1 ? ? +32541 ATOM O OG1 . THR V 2 435 ? 20.325 0.617 -44.371 1.00 51.85 ? 436 THR b OG1 1 ? ? +32542 ATOM C CG2 . THR V 2 435 ? 21.218 -0.950 -42.741 1.00 51.53 ? 436 THR b CG2 1 ? ? +32543 ATOM C C . THR V 2 435 ? 18.706 -0.651 -41.223 1.00 49.97 ? 436 THR b C 1 ? ? +32544 ATOM O O . THR V 2 435 ? 18.461 -1.836 -41.091 1.00 49.97 ? 436 THR b O 1 ? ? +32545 ATOM N N . LEU V 2 436 ? 18.897 0.163 -40.182 1.00 49.38 ? 437 LEU b N 1 ? ? +32546 ATOM C CA . LEU V 2 436 ? 18.824 -0.312 -38.808 1.00 48.68 ? 437 LEU b CA 1 ? ? +32547 ATOM C CB . LEU V 2 436 ? 19.896 0.368 -37.967 1.00 48.75 ? 437 LEU b CB 1 ? ? +32548 ATOM C CG . LEU V 2 436 ? 21.313 0.165 -38.445 1.00 48.91 ? 437 LEU b CG 1 ? ? +32549 ATOM C CD1 . LEU V 2 436 ? 22.253 0.804 -37.523 1.00 49.10 ? 437 LEU b CD1 1 ? ? +32550 ATOM C CD2 . LEU V 2 436 ? 21.650 -1.293 -38.577 1.00 48.66 ? 437 LEU b CD2 1 ? ? +32551 ATOM C C . LEU V 2 436 ? 17.493 -0.015 -38.133 1.00 48.49 ? 437 LEU b C 1 ? ? +32552 ATOM O O . LEU V 2 436 ? 17.382 -0.170 -36.925 1.00 48.35 ? 437 LEU b O 1 ? ? +32553 ATOM N N . ASN V 2 437 ? 16.506 0.423 -38.918 1.00 48.68 ? 438 ASN b N 1 ? ? +32554 ATOM C CA . ASN V 2 437 ? 15.260 0.941 -38.390 1.00 49.14 ? 438 ASN b CA 1 ? ? +32555 ATOM C CB . ASN V 2 437 ? 14.337 -0.185 -37.972 1.00 49.64 ? 438 ASN b CB 1 ? ? +32556 ATOM C CG . ASN V 2 437 ? 12.934 0.344 -37.749 1.00 50.66 ? 438 ASN b CG 1 ? ? +32557 ATOM O OD1 . ASN V 2 437 ? 12.451 1.289 -38.431 1.00 51.62 ? 438 ASN b OD1 1 ? ? +32558 ATOM N ND2 . ASN V 2 437 ? 12.257 -0.200 -36.757 1.00 51.04 ? 438 ASN b ND2 1 ? ? +32559 ATOM C C . ASN V 2 437 ? 15.501 1.905 -37.231 1.00 48.87 ? 438 ASN b C 1 ? ? +32560 ATOM O O . ASN V 2 437 ? 15.073 1.657 -36.105 1.00 48.84 ? 438 ASN b O 1 ? ? +32561 ATOM N N . SER V 2 438 ? 16.206 3.002 -37.529 1.00 48.49 ? 439 SER b N 1 ? ? +32562 ATOM C CA . SER V 2 438 ? 16.602 3.965 -36.519 1.00 48.17 ? 439 SER b CA 1 ? ? +32563 ATOM C CB . SER V 2 438 ? 17.700 4.869 -37.067 1.00 48.66 ? 439 SER b CB 1 ? ? +32564 ATOM O OG . SER V 2 438 ? 18.792 4.121 -37.613 1.00 48.91 ? 439 SER b OG 1 ? ? +32565 ATOM C C . SER V 2 438 ? 15.377 4.745 -36.049 1.00 47.66 ? 439 SER b C 1 ? ? +32566 ATOM O O . SER V 2 438 ? 14.482 5.008 -36.850 1.00 47.82 ? 439 SER b O 1 ? ? +32567 ATOM N N . ASP V 2 439 ? 15.343 5.106 -34.755 1.00 47.01 ? 440 ASP b N 1 ? ? +32568 ATOM C CA . ASP V 2 439 ? 14.159 5.704 -34.152 1.00 46.55 ? 440 ASP b CA 1 ? ? +32569 ATOM C CB . ASP V 2 439 ? 13.884 5.058 -32.806 1.00 46.17 ? 440 ASP b CB 1 ? ? +32570 ATOM C CG . ASP V 2 439 ? 15.006 5.053 -31.805 1.00 46.14 ? 440 ASP b CG 1 ? ? +32571 ATOM O OD1 . ASP V 2 439 ? 15.904 5.948 -31.894 1.00 46.79 ? 440 ASP b OD1 1 ? ? +32572 ATOM O OD2 . ASP V 2 439 ? 15.008 4.161 -30.935 1.00 45.58 ? 440 ASP b OD2 1 ? ? +32573 ATOM C C . ASP V 2 439 ? 14.211 7.221 -33.988 1.00 46.60 ? 440 ASP b C 1 ? ? +32574 ATOM O O . ASP V 2 439 ? 13.255 7.825 -33.522 1.00 46.73 ? 440 ASP b O 1 ? ? +32575 ATOM N N . GLY V 2 440 ? 15.336 7.842 -34.346 1.00 46.36 ? 441 GLY b N 1 ? ? +32576 ATOM C CA . GLY V 2 440 ? 15.419 9.292 -34.352 1.00 46.37 ? 441 GLY b CA 1 ? ? +32577 ATOM C C . GLY V 2 440 ? 15.797 9.926 -33.018 1.00 46.08 ? 441 GLY b C 1 ? ? +32578 ATOM O O . GLY V 2 440 ? 15.758 11.144 -32.889 1.00 46.25 ? 441 GLY b O 1 ? ? +32579 ATOM N N . ILE V 2 441 ? 16.197 9.104 -32.043 1.00 45.63 ? 442 ILE b N 1 ? ? +32580 ATOM C CA . ILE V 2 441 ? 16.526 9.607 -30.718 1.00 45.59 ? 442 ILE b CA 1 ? ? +32581 ATOM C CB . ILE V 2 441 ? 15.627 8.953 -29.674 1.00 45.34 ? 442 ILE b CB 1 ? ? +32582 ATOM C CG1 . ILE V 2 441 ? 14.093 9.068 -30.082 1.00 45.42 ? 442 ILE b CG1 1 ? ? +32583 ATOM C CG2 . ILE V 2 441 ? 15.913 9.570 -28.343 1.00 45.49 ? 442 ILE b CG2 1 ? ? +32584 ATOM C CD1 . ILE V 2 441 ? 13.122 8.288 -29.232 1.00 45.14 ? 442 ILE b CD1 1 ? ? +32585 ATOM C C . ILE V 2 441 ? 18.005 9.392 -30.405 1.00 45.52 ? 442 ILE b C 1 ? ? +32586 ATOM O O . ILE V 2 441 ? 18.522 8.298 -30.566 1.00 45.21 ? 442 ILE b O 1 ? ? +32587 ATOM N N . PHE V 2 442 ? 18.669 10.451 -29.952 1.00 45.78 ? 443 PHE b N 1 ? ? +32588 ATOM C CA . PHE V 2 442 ? 20.117 10.465 -29.812 1.00 45.87 ? 443 PHE b CA 1 ? ? +32589 ATOM C CB . PHE V 2 442 ? 20.605 11.853 -29.425 1.00 46.26 ? 443 PHE b CB 1 ? ? +32590 ATOM C CG . PHE V 2 442 ? 20.370 12.909 -30.467 1.00 46.60 ? 443 PHE b CG 1 ? ? +32591 ATOM C CD1 . PHE V 2 442 ? 20.860 12.759 -31.749 1.00 46.73 ? 443 PHE b CD1 1 ? ? +32592 ATOM C CD2 . PHE V 2 442 ? 19.680 14.064 -30.161 1.00 46.86 ? 443 PHE b CD2 1 ? ? +32593 ATOM C CE1 . PHE V 2 442 ? 20.665 13.747 -32.708 1.00 47.10 ? 443 PHE b CE1 1 ? ? +32594 ATOM C CE2 . PHE V 2 442 ? 19.480 15.049 -31.116 1.00 47.21 ? 443 PHE b CE2 1 ? ? +32595 ATOM C CZ . PHE V 2 442 ? 19.976 14.888 -32.385 1.00 47.34 ? 443 PHE b CZ 1 ? ? +32596 ATOM C C . PHE V 2 442 ? 20.608 9.473 -28.765 1.00 45.62 ? 443 PHE b C 1 ? ? +32597 ATOM O O . PHE V 2 442 ? 19.982 9.297 -27.719 1.00 45.72 ? 443 PHE b O 1 ? ? +32598 ATOM N N . ARG V 2 443 ? 21.710 8.804 -29.093 1.00 45.46 ? 444 ARG b N 1 ? ? +32599 ATOM C CA . ARG V 2 443 ? 22.385 7.894 -28.187 1.00 45.21 ? 444 ARG b CA 1 ? ? +32600 ATOM C CB . ARG V 2 443 ? 22.398 6.502 -28.806 1.00 44.95 ? 444 ARG b CB 1 ? ? +32601 ATOM C CG . ARG V 2 443 ? 21.007 5.864 -28.743 1.00 44.59 ? 444 ARG b CG 1 ? ? +32602 ATOM C CD . ARG V 2 443 ? 20.826 4.755 -29.734 1.00 44.39 ? 444 ARG b CD 1 ? ? +32603 ATOM N NE . ARG V 2 443 ? 19.608 3.983 -29.499 1.00 44.11 ? 444 ARG b NE 1 ? ? +32604 ATOM C CZ . ARG V 2 443 ? 18.368 4.372 -29.792 1.00 43.99 ? 444 ARG b CZ 1 ? ? +32605 ATOM N NH1 . ARG V 2 443 ? 18.090 5.604 -30.178 1.00 44.27 ? 444 ARG b NH1 1 ? ? +32606 ATOM N NH2 . ARG V 2 443 ? 17.386 3.487 -29.709 1.00 43.74 ? 444 ARG b NH2 1 ? ? +32607 ATOM C C . ARG V 2 443 ? 23.794 8.405 -27.913 1.00 45.40 ? 444 ARG b C 1 ? ? +32608 ATOM O O . ARG V 2 443 ? 24.307 9.222 -28.673 1.00 45.75 ? 444 ARG b O 1 ? ? +32609 ATOM N N . THR V 2 444 ? 24.381 7.948 -26.807 1.00 45.17 ? 445 THR b N 1 ? ? +32610 ATOM C CA . THR V 2 444 ? 25.726 8.356 -26.442 1.00 45.42 ? 445 THR b CA 1 ? ? +32611 ATOM C CB . THR V 2 444 ? 25.961 8.314 -24.930 1.00 45.48 ? 445 THR b CB 1 ? ? +32612 ATOM O OG1 . THR V 2 444 ? 27.165 9.048 -24.620 1.00 45.93 ? 445 THR b OG1 1 ? ? +32613 ATOM C CG2 . THR V 2 444 ? 26.085 6.907 -24.395 1.00 45.17 ? 445 THR b CG2 1 ? ? +32614 ATOM C C . THR V 2 444 ? 26.740 7.474 -27.156 1.00 45.29 ? 445 THR b C 1 ? ? +32615 ATOM O O . THR V 2 444 ? 26.395 6.416 -27.680 1.00 44.98 ? 445 THR b O 1 ? ? +32616 ATOM N N . SER V 2 445 ? 27.996 7.931 -27.148 1.00 45.54 ? 446 SER b N 1 ? ? +32617 ATOM C CA . SER V 2 445 ? 29.095 7.217 -27.776 1.00 45.46 ? 446 SER b CA 1 ? ? +32618 ATOM C CB . SER V 2 445 ? 30.097 8.226 -28.304 1.00 46.02 ? 446 SER b CB 1 ? ? +32619 ATOM O OG . SER V 2 445 ? 30.658 8.921 -27.206 1.00 46.35 ? 446 SER b OG 1 ? ? +32620 ATOM C C . SER V 2 445 ? 29.768 6.273 -26.787 1.00 45.24 ? 446 SER b C 1 ? ? +32621 ATOM O O . SER V 2 445 ? 29.476 6.285 -25.596 1.00 45.12 ? 446 SER b O 1 ? ? +32622 ATOM N N . PRO V 2 446 ? 30.727 5.442 -27.235 1.00 45.21 ? 447 PRO b N 1 ? ? +32623 ATOM C CA . PRO V 2 446 ? 31.612 4.730 -26.304 1.00 45.22 ? 447 PRO b CA 1 ? ? +32624 ATOM C CB . PRO V 2 446 ? 32.603 4.061 -27.259 1.00 45.39 ? 447 PRO b CB 1 ? ? +32625 ATOM C CG . PRO V 2 446 ? 31.788 3.850 -28.528 1.00 45.11 ? 447 PRO b CG 1 ? ? +32626 ATOM C CD . PRO V 2 446 ? 31.005 5.113 -28.646 1.00 45.19 ? 447 PRO b CD 1 ? ? +32627 ATOM C C . PRO V 2 446 ? 32.303 5.598 -25.243 1.00 45.50 ? 447 PRO b C 1 ? ? +32628 ATOM O O . PRO V 2 446 ? 32.519 5.157 -24.113 1.00 45.44 ? 447 PRO b O 1 ? ? +32629 ATOM N N . ARG V 2 447 ? 32.603 6.854 -25.578 1.00 45.79 ? 448 ARG b N 1 ? ? +32630 ATOM C CA . ARG V 2 447 ? 33.189 7.766 -24.606 1.00 46.17 ? 448 ARG b CA 1 ? ? +32631 ATOM C CB . ARG V 2 447 ? 33.530 9.113 -25.249 1.00 46.61 ? 448 ARG b CB 1 ? ? +32632 ATOM C CG . ARG V 2 447 ? 34.385 10.017 -24.370 1.00 47.17 ? 448 ARG b CG 1 ? ? +32633 ATOM C CD . ARG V 2 447 ? 34.627 11.326 -25.049 1.00 47.60 ? 448 ARG b CD 1 ? ? +32634 ATOM N NE . ARG V 2 447 ? 35.522 11.201 -26.198 1.00 47.84 ? 448 ARG b NE 1 ? ? +32635 ATOM C CZ . ARG V 2 447 ? 36.858 11.173 -26.138 1.00 48.31 ? 448 ARG b CZ 1 ? ? +32636 ATOM N NH1 . ARG V 2 447 ? 37.507 11.085 -24.988 1.00 48.50 ? 448 ARG b NH1 1 ? ? +32637 ATOM N NH2 . ARG V 2 447 ? 37.555 11.231 -27.265 1.00 48.57 ? 448 ARG b NH2 1 ? ? +32638 ATOM C C . ARG V 2 447 ? 32.230 7.958 -23.435 1.00 45.87 ? 448 ARG b C 1 ? ? +32639 ATOM O O . ARG V 2 447 ? 32.634 7.933 -22.274 1.00 45.99 ? 448 ARG b O 1 ? ? +32640 ATOM N N . GLY V 2 448 ? 30.950 8.159 -23.771 1.00 45.48 ? 449 GLY b N 1 ? ? +32641 ATOM C CA . GLY V 2 448 ? 29.886 8.240 -22.784 1.00 45.16 ? 449 GLY b CA 1 ? ? +32642 ATOM C C . GLY V 2 448 ? 29.786 6.991 -21.922 1.00 44.82 ? 449 GLY b C 1 ? ? +32643 ATOM O O . GLY V 2 448 ? 29.890 7.076 -20.701 1.00 44.90 ? 449 GLY b O 1 ? ? +32644 ATOM N N . TRP V 2 449 ? 29.606 5.838 -22.577 1.00 44.48 ? 450 TRP b N 1 ? ? +32645 ATOM C CA . TRP V 2 449 ? 29.443 4.574 -21.876 1.00 44.23 ? 450 TRP b CA 1 ? ? +32646 ATOM C CB . TRP V 2 449 ? 29.111 3.433 -22.864 1.00 43.85 ? 450 TRP b CB 1 ? ? +32647 ATOM C CG . TRP V 2 449 ? 27.692 3.481 -23.343 1.00 43.47 ? 450 TRP b CG 1 ? ? +32648 ATOM C CD1 . TRP V 2 449 ? 27.257 3.676 -24.616 1.00 43.34 ? 450 TRP b CD1 1 ? ? +32649 ATOM N NE1 . TRP V 2 449 ? 25.887 3.700 -24.645 1.00 43.01 ? 450 TRP b NE1 1 ? ? +32650 ATOM C CE2 . TRP V 2 449 ? 25.407 3.531 -23.377 1.00 42.91 ? 450 TRP b CE2 1 ? ? +32651 ATOM C CZ2 . TRP V 2 449 ? 24.092 3.481 -22.906 1.00 42.63 ? 450 TRP b CZ2 1 ? ? +32652 ATOM C CH2 . TRP V 2 449 ? 23.908 3.303 -21.567 1.00 42.64 ? 450 TRP b CH2 1 ? ? +32653 ATOM C CZ3 . TRP V 2 449 ? 24.999 3.156 -20.696 1.00 42.91 ? 450 TRP b CZ3 1 ? ? +32654 ATOM C CE3 . TRP V 2 449 ? 26.303 3.205 -21.161 1.00 43.16 ? 450 TRP b CE3 1 ? ? +32655 ATOM C CD2 . TRP V 2 449 ? 26.519 3.385 -22.530 1.00 43.17 ? 450 TRP b CD2 1 ? ? +32656 ATOM C C . TRP V 2 449 ? 30.660 4.214 -21.026 1.00 44.58 ? 450 TRP b C 1 ? ? +32657 ATOM O O . TRP V 2 449 ? 30.496 3.798 -19.878 1.00 44.52 ? 450 TRP b O 1 ? ? +32658 ATOM N N . PHE V 2 450 ? 31.875 4.375 -21.586 1.00 44.97 ? 451 PHE b N 1 ? ? +32659 ATOM C CA . PHE V 2 450 ? 33.082 4.051 -20.846 1.00 45.38 ? 451 PHE b CA 1 ? ? +32660 ATOM C CB . PHE V 2 450 ? 34.366 4.351 -21.649 1.00 45.88 ? 451 PHE b CB 1 ? ? +32661 ATOM C CG . PHE V 2 450 ? 35.597 4.016 -20.856 1.00 46.33 ? 451 PHE b CG 1 ? ? +32662 ATOM C CD1 . PHE V 2 450 ? 36.060 4.872 -19.874 1.00 46.80 ? 451 PHE b CD1 1 ? ? +32663 ATOM C CD2 . PHE V 2 450 ? 36.229 2.796 -21.016 1.00 46.32 ? 451 PHE b CD2 1 ? ? +32664 ATOM C CE1 . PHE V 2 450 ? 37.175 4.540 -19.111 1.00 47.26 ? 451 PHE b CE1 1 ? ? +32665 ATOM C CE2 . PHE V 2 450 ? 37.340 2.462 -20.248 1.00 46.77 ? 451 PHE b CE2 1 ? ? +32666 ATOM C CZ . PHE V 2 450 ? 37.805 3.332 -19.298 1.00 47.22 ? 451 PHE b CZ 1 ? ? +32667 ATOM C C . PHE V 2 450 ? 33.094 4.825 -19.532 1.00 45.66 ? 451 PHE b C 1 ? ? +32668 ATOM O O . PHE V 2 450 ? 33.357 4.258 -18.472 1.00 45.75 ? 451 PHE b O 1 ? ? +32669 ATOM N N . THR V 2 451 ? 32.836 6.132 -19.633 1.00 45.89 ? 452 THR b N 1 ? ? +32670 ATOM C CA . THR V 2 451 ? 32.919 7.035 -18.501 1.00 46.27 ? 452 THR b CA 1 ? ? +32671 ATOM C CB . THR V 2 451 ? 32.700 8.464 -18.998 1.00 46.53 ? 452 THR b CB 1 ? ? +32672 ATOM O OG1 . THR V 2 451 ? 33.696 8.744 -19.980 1.00 46.88 ? 452 THR b OG1 1 ? ? +32673 ATOM C CG2 . THR V 2 451 ? 32.749 9.502 -17.882 1.00 46.92 ? 452 THR b CG2 1 ? ? +32674 ATOM C C . THR V 2 451 ? 31.919 6.659 -17.416 1.00 46.01 ? 452 THR b C 1 ? ? +32675 ATOM O O . THR V 2 451 ? 32.296 6.532 -16.252 1.00 46.23 ? 452 THR b O 1 ? ? +32676 ATOM N N . PHE V 2 452 ? 30.647 6.498 -17.814 1.00 45.60 ? 453 PHE b N 1 ? ? +32677 ATOM C CA . PHE V 2 452 ? 29.596 6.140 -16.883 1.00 45.34 ? 453 PHE b CA 1 ? ? +32678 ATOM C CB . PHE V 2 452 ? 28.302 5.862 -17.632 1.00 44.92 ? 453 PHE b CB 1 ? ? +32679 ATOM C CG . PHE V 2 452 ? 27.203 5.291 -16.777 1.00 44.64 ? 453 PHE b CG 1 ? ? +32680 ATOM C CD1 . PHE V 2 452 ? 26.699 6.000 -15.702 1.00 44.82 ? 453 PHE b CD1 1 ? ? +32681 ATOM C CD2 . PHE V 2 452 ? 26.677 4.047 -17.045 1.00 44.29 ? 453 PHE b CD2 1 ? ? +32682 ATOM C CE1 . PHE V 2 452 ? 25.653 5.480 -14.921 1.00 44.57 ? 453 PHE b CE1 1 ? ? +32683 ATOM C CE2 . PHE V 2 452 ? 25.601 3.539 -16.284 1.00 44.05 ? 453 PHE b CE2 1 ? ? +32684 ATOM C CZ . PHE V 2 452 ? 25.114 4.254 -15.217 1.00 44.17 ? 453 PHE b CZ 1 ? ? +32685 ATOM C C . PHE V 2 452 ? 30.001 4.905 -16.094 1.00 45.29 ? 453 PHE b C 1 ? ? +32686 ATOM O O . PHE V 2 452 ? 30.047 4.924 -14.868 1.00 45.43 ? 453 PHE b O 1 ? ? +32687 ATOM N N . ALA V 2 453 ? 30.328 3.837 -16.817 1.00 45.17 ? 454 ALA b N 1 ? ? +32688 ATOM C CA . ALA V 2 453 ? 30.589 2.560 -16.177 1.00 45.16 ? 454 ALA b CA 1 ? ? +32689 ATOM C CB . ALA V 2 453 ? 30.888 1.494 -17.226 1.00 44.98 ? 454 ALA b CB 1 ? ? +32690 ATOM C C . ALA V 2 453 ? 31.746 2.670 -15.189 1.00 45.72 ? 454 ALA b C 1 ? ? +32691 ATOM O O . ALA V 2 453 ? 31.656 2.162 -14.072 1.00 45.72 ? 454 ALA b O 1 ? ? +32692 ATOM N N . HIS V 2 454 ? 32.818 3.360 -15.600 1.00 46.22 ? 455 HIS b N 1 ? ? +32693 ATOM C CA . HIS V 2 454 ? 33.993 3.452 -14.761 1.00 46.83 ? 455 HIS b CA 1 ? ? +32694 ATOM C CB . HIS V 2 454 ? 35.214 3.839 -15.636 1.00 47.35 ? 455 HIS b CB 1 ? ? +32695 ATOM C CG . HIS V 2 454 ? 35.643 2.658 -16.446 1.00 47.28 ? 455 HIS b CG 1 ? ? +32696 ATOM N ND1 . HIS V 2 454 ? 35.063 2.376 -17.669 1.00 46.96 ? 455 HIS b ND1 1 ? ? +32697 ATOM C CE1 . HIS V 2 454 ? 35.578 1.220 -18.058 1.00 46.88 ? 455 HIS b CE1 1 ? ? +32698 ATOM N NE2 . HIS V 2 454 ? 36.427 0.745 -17.136 1.00 47.22 ? 455 HIS b NE2 1 ? ? +32699 ATOM C CD2 . HIS V 2 454 ? 36.444 1.634 -16.093 1.00 47.47 ? 455 HIS b CD2 1 ? ? +32700 ATOM C C . HIS V 2 454 ? 33.781 4.359 -13.553 1.00 47.07 ? 455 HIS b C 1 ? ? +32701 ATOM O O . HIS V 2 454 ? 34.289 4.065 -12.472 1.00 47.40 ? 455 HIS b O 1 ? ? +32702 ATOM N N . ALA V 2 455 ? 33.020 5.445 -13.721 1.00 46.99 ? 456 ALA b N 1 ? ? +32703 ATOM C CA . ALA V 2 455 ? 32.709 6.298 -12.587 1.00 47.24 ? 456 ALA b CA 1 ? ? +32704 ATOM C CB . ALA V 2 455 ? 32.006 7.561 -13.044 1.00 47.26 ? 456 ALA b CB 1 ? ? +32705 ATOM C C . ALA V 2 455 ? 31.872 5.528 -11.568 1.00 46.99 ? 456 ALA b C 1 ? ? +32706 ATOM O O . ALA V 2 455 ? 32.104 5.624 -10.361 1.00 47.31 ? 456 ALA b O 1 ? ? +32707 ATOM N N . VAL V 2 456 ? 30.920 4.725 -12.052 1.00 46.44 ? 457 VAL b N 1 ? ? +32708 ATOM C CA . VAL V 2 456 ? 30.064 3.998 -11.141 1.00 46.20 ? 457 VAL b CA 1 ? ? +32709 ATOM C CB . VAL V 2 456 ? 28.823 3.407 -11.852 1.00 45.61 ? 457 VAL b CB 1 ? ? +32710 ATOM C CG1 . VAL V 2 456 ? 28.044 2.518 -10.901 1.00 45.37 ? 457 VAL b CG1 1 ? ? +32711 ATOM C CG2 . VAL V 2 456 ? 27.945 4.515 -12.415 1.00 45.50 ? 457 VAL b CG2 1 ? ? +32712 ATOM C C . VAL V 2 456 ? 30.857 2.919 -10.419 1.00 46.39 ? 457 VAL b C 1 ? ? +32713 ATOM O O . VAL V 2 456 ? 30.712 2.749 -9.214 1.00 46.49 ? 457 VAL b O 1 ? ? +32714 ATOM N N . PHE V 2 457 ? 31.694 2.187 -11.158 1.00 46.52 ? 458 PHE b N 1 ? ? +32715 ATOM C CA . PHE V 2 457 ? 32.524 1.164 -10.533 1.00 46.80 ? 458 PHE b CA 1 ? ? +32716 ATOM C CB . PHE V 2 457 ? 33.305 0.330 -11.553 1.00 46.83 ? 458 PHE b CB 1 ? ? +32717 ATOM C CG . PHE V 2 457 ? 32.473 -0.550 -12.446 1.00 46.35 ? 458 PHE b CG 1 ? ? +32718 ATOM C CD1 . PHE V 2 457 ? 31.340 -1.178 -11.968 1.00 46.05 ? 458 PHE b CD1 1 ? ? +32719 ATOM C CD2 . PHE V 2 457 ? 32.853 -0.789 -13.750 1.00 46.29 ? 458 PHE b CD2 1 ? ? +32720 ATOM C CE1 . PHE V 2 457 ? 30.571 -1.974 -12.800 1.00 45.63 ? 458 PHE b CE1 1 ? ? +32721 ATOM C CE2 . PHE V 2 457 ? 32.101 -1.613 -14.567 1.00 45.86 ? 458 PHE b CE2 1 ? ? +32722 ATOM C CZ . PHE V 2 457 ? 30.951 -2.188 -14.094 1.00 45.50 ? 458 PHE b CZ 1 ? ? +32723 ATOM C C . PHE V 2 457 ? 33.500 1.740 -9.511 1.00 47.35 ? 458 PHE b C 1 ? ? +32724 ATOM O O . PHE V 2 457 ? 33.709 1.139 -8.462 1.00 47.51 ? 458 PHE b O 1 ? ? +32725 ATOM N N . ALA V 2 458 ? 34.073 2.910 -9.797 1.00 47.72 ? 459 ALA b N 1 ? ? +32726 ATOM C CA . ALA V 2 458 ? 35.047 3.490 -8.880 1.00 48.35 ? 459 ALA b CA 1 ? ? +32727 ATOM C CB . ALA V 2 458 ? 35.675 4.734 -9.472 1.00 48.70 ? 459 ALA b CB 1 ? ? +32728 ATOM C C . ALA V 2 458 ? 34.379 3.802 -7.541 1.00 48.48 ? 459 ALA b C 1 ? ? +32729 ATOM O O . ALA V 2 458 ? 34.923 3.525 -6.474 1.00 48.76 ? 459 ALA b O 1 ? ? +32730 ATOM N N . LEU V 2 459 ? 33.163 4.359 -7.611 1.00 48.23 ? 460 LEU b N 1 ? ? +32731 ATOM C CA . LEU V 2 459 ? 32.439 4.749 -6.414 1.00 48.36 ? 460 LEU b CA 1 ? ? +32732 ATOM C CB . LEU V 2 459 ? 31.247 5.599 -6.830 1.00 48.18 ? 460 LEU b CB 1 ? ? +32733 ATOM C CG . LEU V 2 459 ? 30.452 6.250 -5.723 1.00 48.37 ? 460 LEU b CG 1 ? ? +32734 ATOM C CD1 . LEU V 2 459 ? 31.231 7.276 -5.003 1.00 48.96 ? 460 LEU b CD1 1 ? ? +32735 ATOM C CD2 . LEU V 2 459 ? 29.195 6.877 -6.295 1.00 48.08 ? 460 LEU b CD2 1 ? ? +32736 ATOM C C . LEU V 2 459 ? 32.028 3.520 -5.602 1.00 48.14 ? 460 LEU b C 1 ? ? +32737 ATOM O O . LEU V 2 459 ? 32.119 3.527 -4.375 1.00 48.37 ? 460 LEU b O 1 ? ? +32738 ATOM N N . LEU V 2 460 ? 31.607 2.450 -6.292 1.00 47.73 ? 461 LEU b N 1 ? ? +32739 ATOM C CA . LEU V 2 460 ? 31.281 1.189 -5.640 1.00 47.59 ? 461 LEU b CA 1 ? ? +32740 ATOM C CB . LEU V 2 460 ? 30.676 0.225 -6.657 1.00 47.15 ? 461 LEU b CB 1 ? ? +32741 ATOM C CG . LEU V 2 460 ? 29.220 0.560 -7.082 1.00 46.88 ? 461 LEU b CG 1 ? ? +32742 ATOM C CD1 . LEU V 2 460 ? 28.656 -0.481 -8.063 1.00 46.38 ? 461 LEU b CD1 1 ? ? +32743 ATOM C CD2 . LEU V 2 460 ? 28.294 0.682 -5.871 1.00 46.98 ? 461 LEU b CD2 1 ? ? +32744 ATOM C C . LEU V 2 460 ? 32.503 0.550 -4.981 1.00 47.98 ? 461 LEU b C 1 ? ? +32745 ATOM O O . LEU V 2 460 ? 32.417 -0.003 -3.884 1.00 48.08 ? 461 LEU b O 1 ? ? +32746 ATOM N N . PHE V 2 461 ? 33.658 0.635 -5.653 1.00 48.17 ? 462 PHE b N 1 ? ? +32747 ATOM C CA . PHE V 2 461 ? 34.879 0.065 -5.107 1.00 48.58 ? 462 PHE b CA 1 ? ? +32748 ATOM C CB . PHE V 2 461 ? 35.941 -0.068 -6.211 1.00 48.74 ? 462 PHE b CB 1 ? ? +32749 ATOM C CG . PHE V 2 461 ? 35.828 -1.391 -6.944 1.00 48.42 ? 462 PHE b CG 1 ? ? +32750 ATOM C CD1 . PHE V 2 461 ? 34.676 -1.722 -7.649 1.00 47.90 ? 462 PHE b CD1 1 ? ? +32751 ATOM C CD2 . PHE V 2 461 ? 36.846 -2.326 -6.880 1.00 48.72 ? 462 PHE b CD2 1 ? ? +32752 ATOM C CE1 . PHE V 2 461 ? 34.562 -2.949 -8.289 1.00 47.61 ? 462 PHE b CE1 1 ? ? +32753 ATOM C CE2 . PHE V 2 461 ? 36.735 -3.540 -7.527 1.00 48.41 ? 462 PHE b CE2 1 ? ? +32754 ATOM C CZ . PHE V 2 461 ? 35.598 -3.849 -8.232 1.00 47.88 ? 462 PHE b CZ 1 ? ? +32755 ATOM C C . PHE V 2 461 ? 35.331 0.822 -3.860 1.00 49.02 ? 462 PHE b C 1 ? ? +32756 ATOM O O . PHE V 2 461 ? 35.877 0.225 -2.943 1.00 49.35 ? 462 PHE b O 1 ? ? +32757 ATOM N N . PHE V 2 462 ? 35.047 2.120 -3.787 1.00 49.10 ? 463 PHE b N 1 ? ? +32758 ATOM C CA . PHE V 2 462 ? 35.245 2.845 -2.544 1.00 49.60 ? 463 PHE b CA 1 ? ? +32759 ATOM C CB . PHE V 2 462 ? 34.710 4.285 -2.655 1.00 49.64 ? 463 PHE b CB 1 ? ? +32760 ATOM C CG . PHE V 2 462 ? 34.636 5.022 -1.334 1.00 50.07 ? 463 PHE b CG 1 ? ? +32761 ATOM C CD1 . PHE V 2 462 ? 35.793 5.380 -0.652 1.00 50.75 ? 463 PHE b CD1 1 ? ? +32762 ATOM C CD2 . PHE V 2 462 ? 33.413 5.338 -0.771 1.00 49.81 ? 463 PHE b CD2 1 ? ? +32763 ATOM C CE1 . PHE V 2 462 ? 35.719 6.050 0.569 1.00 51.21 ? 463 PHE b CE1 1 ? ? +32764 ATOM C CE2 . PHE V 2 462 ? 33.336 6.009 0.440 1.00 50.23 ? 463 PHE b CE2 1 ? ? +32765 ATOM C CZ . PHE V 2 462 ? 34.487 6.359 1.110 1.00 50.93 ? 463 PHE b CZ 1 ? ? +32766 ATOM C C . PHE V 2 462 ? 34.604 2.121 -1.361 1.00 49.58 ? 463 PHE b C 1 ? ? +32767 ATOM O O . PHE V 2 462 ? 35.217 1.982 -0.311 1.00 50.08 ? 463 PHE b O 1 ? ? +32768 ATOM N N . PHE V 2 463 ? 33.358 1.660 -1.527 1.00 49.06 ? 464 PHE b N 1 ? ? +32769 ATOM C CA . PHE V 2 463 ? 32.689 0.927 -0.467 1.00 48.99 ? 464 PHE b CA 1 ? ? +32770 ATOM C CB . PHE V 2 463 ? 31.206 0.614 -0.815 1.00 48.30 ? 464 PHE b CB 1 ? ? +32771 ATOM C CG . PHE V 2 463 ? 30.538 -0.063 0.340 1.00 48.27 ? 464 PHE b CG 1 ? ? +32772 ATOM C CD1 . PHE V 2 463 ? 30.101 0.661 1.431 1.00 48.55 ? 464 PHE b CD1 1 ? ? +32773 ATOM C CD2 . PHE V 2 463 ? 30.427 -1.429 0.382 1.00 48.09 ? 464 PHE b CD2 1 ? ? +32774 ATOM C CE1 . PHE V 2 463 ? 29.523 0.025 2.524 1.00 48.63 ? 464 PHE b CE1 1 ? ? +32775 ATOM C CE2 . PHE V 2 463 ? 29.838 -2.067 1.469 1.00 48.17 ? 464 PHE b CE2 1 ? ? +32776 ATOM C CZ . PHE V 2 463 ? 29.389 -1.337 2.534 1.00 48.44 ? 464 PHE b CZ 1 ? ? +32777 ATOM C C . PHE V 2 463 ? 33.437 -0.363 -0.139 1.00 49.19 ? 464 PHE b C 1 ? ? +32778 ATOM O O . PHE V 2 463 ? 33.608 -0.699 1.026 1.00 49.59 ? 464 PHE b O 1 ? ? +32779 ATOM N N . GLY V 2 464 ? 33.859 -1.091 -1.172 1.00 49.06 ? 465 GLY b N 1 ? ? +32780 ATOM C CA . GLY V 2 464 ? 34.680 -2.276 -0.985 1.00 49.38 ? 465 GLY b CA 1 ? ? +32781 ATOM C C . GLY V 2 464 ? 35.948 -2.036 -0.165 1.00 50.21 ? 465 GLY b C 1 ? ? +32782 ATOM O O . GLY V 2 464 ? 36.334 -2.875 0.637 1.00 50.48 ? 465 GLY b O 1 ? ? +32783 ATOM N N . HIS V 2 465 ? 36.586 -0.884 -0.371 1.00 50.71 ? 466 HIS b N 1 ? ? +32784 ATOM C CA . HIS V 2 465 ? 37.792 -0.523 0.357 1.00 51.60 ? 466 HIS b CA 1 ? ? +32785 ATOM C CB . HIS V 2 465 ? 38.403 0.725 -0.274 1.00 51.86 ? 466 HIS b CB 1 ? ? +32786 ATOM C CG . HIS V 2 465 ? 39.399 1.391 0.622 1.00 52.71 ? 466 HIS b CG 1 ? ? +32787 ATOM N ND1 . HIS V 2 465 ? 40.459 0.696 1.137 1.00 53.24 ? 466 HIS b ND1 1 ? ? +32788 ATOM C CE1 . HIS V 2 465 ? 41.103 1.550 1.898 1.00 53.95 ? 466 HIS b CE1 1 ? ? +32789 ATOM N NE2 . HIS V 2 465 ? 40.496 2.741 1.898 1.00 53.85 ? 466 HIS b NE2 1 ? ? +32790 ATOM C CD2 . HIS V 2 465 ? 39.417 2.645 1.104 1.00 53.07 ? 466 HIS b CD2 1 ? ? +32791 ATOM C C . HIS V 2 465 ? 37.504 -0.297 1.842 1.00 52.12 ? 466 HIS b C 1 ? ? +32792 ATOM O O . HIS V 2 465 ? 38.183 -0.843 2.710 1.00 52.51 ? 466 HIS b O 1 ? ? +32793 ATOM N N . ILE V 2 466 ? 36.476 0.516 2.120 1.00 52.17 ? 467 ILE b N 1 ? ? +32794 ATOM C CA . ILE V 2 466 ? 35.973 0.725 3.471 1.00 52.52 ? 467 ILE b CA 1 ? ? +32795 ATOM C CB . ILE V 2 466 ? 34.751 1.683 3.394 1.00 52.34 ? 467 ILE b CB 1 ? ? +32796 ATOM C CG1 . ILE V 2 466 ? 35.206 3.099 3.041 1.00 52.66 ? 467 ILE b CG1 1 ? ? +32797 ATOM C CG2 . ILE V 2 466 ? 33.922 1.684 4.688 1.00 52.52 ? 467 ILE b CG2 1 ? ? +32798 ATOM C CD1 . ILE V 2 466 ? 36.314 3.617 3.899 1.00 53.45 ? 467 ILE b CD1 1 ? ? +32799 ATOM C C . ILE V 2 466 ? 35.602 -0.567 4.193 1.00 52.41 ? 467 ILE b C 1 ? ? +32800 ATOM O O . ILE V 2 466 ? 35.924 -0.736 5.366 1.00 52.85 ? 467 ILE b O 1 ? ? +32801 ATOM N N A TRP V 2 467 ? 34.912 -1.465 3.485 0.40 51.81 ? 468 TRP b N 1 ? ? +32802 ATOM N N B TRP V 2 467 ? 34.922 -1.472 3.480 0.60 51.83 ? 468 TRP b N 1 ? ? +32803 ATOM C CA A TRP V 2 467 ? 34.513 -2.736 4.065 0.40 51.74 ? 468 TRP b CA 1 ? ? +32804 ATOM C CA B TRP V 2 467 ? 34.489 -2.732 4.067 0.60 51.77 ? 468 TRP b CA 1 ? ? +32805 ATOM C C A TRP V 2 467 ? 35.732 -3.581 4.433 0.40 52.22 ? 468 TRP b C 1 ? ? +32806 ATOM C C B TRP V 2 467 ? 35.667 -3.654 4.400 0.60 52.21 ? 468 TRP b C 1 ? ? +32807 ATOM O O A TRP V 2 467 ? 35.911 -3.952 5.590 0.40 52.67 ? 468 TRP b O 1 ? ? +32808 ATOM O O B TRP V 2 467 ? 35.749 -4.168 5.509 0.60 52.62 ? 468 TRP b O 1 ? ? +32809 ATOM C CB A TRP V 2 467 ? 33.607 -3.522 3.115 0.40 51.04 ? 468 TRP b CB 1 ? ? +32810 ATOM C CB B TRP V 2 467 ? 33.480 -3.455 3.155 0.60 51.08 ? 468 TRP b CB 1 ? ? +32811 ATOM C CG A TRP V 2 467 ? 33.278 -4.872 3.655 0.40 51.00 ? 468 TRP b CG 1 ? ? +32812 ATOM C CG B TRP V 2 467 ? 33.170 -4.826 3.649 0.60 51.07 ? 468 TRP b CG 1 ? ? +32813 ATOM C CD1 A TRP V 2 467 ? 33.785 -6.065 3.240 0.40 50.96 ? 468 TRP b CD1 1 ? ? +32814 ATOM C CD1 B TRP V 2 467 ? 33.633 -6.003 3.145 0.60 51.00 ? 468 TRP b CD1 1 ? ? +32815 ATOM C CD2 A TRP V 2 467 ? 32.391 -5.168 4.737 0.40 51.10 ? 468 TRP b CD2 1 ? ? +32816 ATOM C CD2 B TRP V 2 467 ? 32.356 -5.162 4.770 0.60 51.27 ? 468 TRP b CD2 1 ? ? +32817 ATOM N NE1 A TRP V 2 467 ? 33.274 -7.088 4.000 0.40 50.97 ? 468 TRP b NE1 1 ? ? +32818 ATOM N NE1 B TRP V 2 467 ? 33.166 -7.054 3.892 0.60 51.04 ? 468 TRP b NE1 1 ? ? +32819 ATOM C CE2 A TRP V 2 467 ? 32.409 -6.566 4.925 0.40 51.06 ? 468 TRP b CE2 1 ? ? +32820 ATOM C CE2 B TRP V 2 467 ? 32.371 -6.567 4.895 0.60 51.21 ? 468 TRP b CE2 1 ? ? +32821 ATOM C CE3 A TRP V 2 467 ? 31.571 -4.390 5.562 0.40 51.20 ? 468 TRP b CE3 1 ? ? +32822 ATOM C CE3 B TRP V 2 467 ? 31.599 -4.414 5.679 0.60 51.45 ? 468 TRP b CE3 1 ? ? +32823 ATOM C CZ2 A TRP V 2 467 ? 31.639 -7.198 5.901 0.40 51.12 ? 468 TRP b CZ2 1 ? ? +32824 ATOM C CZ2 B TRP V 2 467 ? 31.664 -7.236 5.897 0.60 51.31 ? 468 TRP b CZ2 1 ? ? +32825 ATOM C CZ3 A TRP V 2 467 ? 30.811 -5.020 6.529 0.40 51.23 ? 468 TRP b CZ3 1 ? ? +32826 ATOM C CZ3 B TRP V 2 467 ? 30.897 -5.080 6.668 0.60 51.52 ? 468 TRP b CZ3 1 ? ? +32827 ATOM C CH2 A TRP V 2 467 ? 30.851 -6.407 6.691 0.40 51.20 ? 468 TRP b CH2 1 ? ? +32828 ATOM C CH2 B TRP V 2 467 ? 30.934 -6.473 6.769 0.60 51.46 ? 468 TRP b CH2 1 ? ? +32829 ATOM N N . HIS V 2 468 ? 36.565 -3.885 3.437 1.00 52.19 ? 469 HIS b N 1 ? ? +32830 ATOM C CA . HIS V 2 468 ? 37.729 -4.730 3.667 1.00 52.72 ? 469 HIS b CA 1 ? ? +32831 ATOM C CB . HIS V 2 468 ? 38.313 -5.192 2.350 1.00 52.48 ? 469 HIS b CB 1 ? ? +32832 ATOM C CG . HIS V 2 468 ? 37.418 -6.216 1.718 1.00 51.79 ? 469 HIS b CG 1 ? ? +32833 ATOM N ND1 . HIS V 2 468 ? 37.275 -7.472 2.269 1.00 51.76 ? 469 HIS b ND1 1 ? ? +32834 ATOM C CE1 . HIS V 2 468 ? 36.451 -8.121 1.468 1.00 51.12 ? 469 HIS b CE1 1 ? ? +32835 ATOM N NE2 . HIS V 2 468 ? 36.057 -7.350 0.459 1.00 50.68 ? 469 HIS b NE2 1 ? ? +32836 ATOM C CD2 . HIS V 2 468 ? 36.651 -6.137 0.611 1.00 51.06 ? 469 HIS b CD2 1 ? ? +32837 ATOM C C . HIS V 2 468 ? 38.792 -4.096 4.557 1.00 53.52 ? 469 HIS b C 1 ? ? +32838 ATOM O O . HIS V 2 468 ? 39.434 -4.799 5.321 1.00 54.06 ? 469 HIS b O 1 ? ? +32839 ATOM N N . GLY V 2 469 ? 38.915 -2.769 4.517 1.00 53.78 ? 470 GLY b N 1 ? ? +32840 ATOM C CA . GLY V 2 469 ? 39.744 -2.060 5.478 1.00 54.58 ? 470 GLY b CA 1 ? ? +32841 ATOM C C . GLY V 2 469 ? 39.256 -2.235 6.911 1.00 54.95 ? 470 GLY b C 1 ? ? +32842 ATOM O O . GLY V 2 469 ? 40.046 -2.445 7.820 1.00 55.47 ? 470 GLY b O 1 ? ? +32843 ATOM N N . ALA V 2 470 ? 37.936 -2.139 7.093 1.00 54.69 ? 471 ALA b N 1 ? ? +32844 ATOM C CA . ALA V 2 470 ? 37.319 -2.340 8.389 1.00 55.09 ? 471 ALA b CA 1 ? ? +32845 ATOM C CB . ALA V 2 470 ? 35.820 -2.067 8.315 1.00 54.50 ? 471 ALA b CB 1 ? ? +32846 ATOM C C . ALA V 2 470 ? 37.588 -3.752 8.897 1.00 55.49 ? 471 ALA b C 1 ? ? +32847 ATOM O O . ALA V 2 470 ? 37.988 -3.914 10.043 1.00 56.17 ? 471 ALA b O 1 ? ? +32848 ATOM N N . ARG V 2 471 ? 37.412 -4.764 8.039 1.00 55.29 ? 472 ARG b N 1 ? ? +32849 ATOM C CA . ARG V 2 471 ? 37.656 -6.139 8.445 1.00 55.85 ? 472 ARG b CA 1 ? ? +32850 ATOM C CB . ARG V 2 471 ? 37.324 -7.130 7.345 1.00 55.77 ? 472 ARG b CB 1 ? ? +32851 ATOM C CG . ARG V 2 471 ? 35.839 -7.238 7.049 1.00 55.65 ? 472 ARG b CG 1 ? ? +32852 ATOM C CD . ARG V 2 471 ? 35.298 -8.654 6.943 1.00 55.80 ? 472 ARG b CD 1 ? ? +32853 ATOM N NE . ARG V 2 471 ? 36.281 -9.642 6.509 1.00 56.44 ? 472 ARG b NE 1 ? ? +32854 ATOM C CZ . ARG V 2 471 ? 36.465 -10.810 7.115 1.00 57.20 ? 472 ARG b CZ 1 ? ? +32855 ATOM N NH1 . ARG V 2 471 ? 35.630 -11.240 8.054 1.00 57.65 ? 472 ARG b NH1 1 ? ? +32856 ATOM N NH2 . ARG V 2 471 ? 37.491 -11.577 6.757 1.00 57.35 ? 472 ARG b NH2 1 ? ? +32857 ATOM C C . ARG V 2 471 ? 39.097 -6.410 8.866 1.00 56.64 ? 472 ARG b C 1 ? ? +32858 ATOM O O . ARG V 2 471 ? 39.343 -7.253 9.720 1.00 57.00 ? 472 ARG b O 1 ? ? +32859 ATOM N N . THR V 2 472 ? 40.050 -5.716 8.243 1.00 56.90 ? 473 THR b N 1 ? ? +32860 ATOM C CA . THR V 2 472 ? 41.454 -5.910 8.557 1.00 57.64 ? 473 THR b CA 1 ? ? +32861 ATOM C CB . THR V 2 472 ? 42.292 -5.233 7.496 1.00 57.46 ? 473 THR b CB 1 ? ? +32862 ATOM O OG1 . THR V 2 472 ? 41.874 -5.730 6.221 1.00 56.55 ? 473 THR b OG1 1 ? ? +32863 ATOM C CG2 . THR V 2 472 ? 43.773 -5.448 7.708 1.00 58.17 ? 473 THR b CG2 1 ? ? +32864 ATOM C C . THR V 2 472 ? 41.748 -5.394 9.963 1.00 58.74 ? 473 THR b C 1 ? ? +32865 ATOM O O . THR V 2 472 ? 42.328 -6.108 10.778 1.00 59.24 ? 473 THR b O 1 ? ? +32866 ATOM N N . LEU V 2 473 ? 41.314 -4.154 10.236 1.00 59.18 ? 474 LEU b N 1 ? ? +32867 ATOM C CA . LEU V 2 473 ? 41.652 -3.453 11.464 1.00 60.14 ? 474 LEU b CA 1 ? ? +32868 ATOM C CB . LEU V 2 473 ? 41.539 -1.943 11.212 1.00 59.97 ? 474 LEU b CB 1 ? ? +32869 ATOM C CG . LEU V 2 473 ? 42.450 -1.382 10.119 1.00 60.04 ? 474 LEU b CG 1 ? ? +32870 ATOM C CD1 . LEU V 2 473 ? 42.138 0.062 9.854 1.00 60.01 ? 474 LEU b CD1 1 ? ? +32871 ATOM C CD2 . LEU V 2 473 ? 43.944 -1.527 10.491 1.00 60.88 ? 474 LEU b CD2 1 ? ? +32872 ATOM C C . LEU V 2 473 ? 40.768 -3.845 12.647 1.00 60.78 ? 474 LEU b C 1 ? ? +32873 ATOM O O . LEU V 2 473 ? 41.089 -3.524 13.784 1.00 61.33 ? 474 LEU b O 1 ? ? +32874 ATOM N N . PHE V 2 474 ? 39.648 -4.527 12.368 1.00 61.27 ? 475 PHE b N 1 ? ? +32875 ATOM C CA . PHE V 2 474 ? 38.722 -4.957 13.407 1.00 61.96 ? 475 PHE b CA 1 ? ? +32876 ATOM C CB . PHE V 2 474 ? 37.394 -4.200 13.309 1.00 60.71 ? 475 PHE b CB 1 ? ? +32877 ATOM C CG . PHE V 2 474 ? 37.498 -2.724 13.562 1.00 60.40 ? 475 PHE b CG 1 ? ? +32878 ATOM C CD1 . PHE V 2 474 ? 37.897 -1.864 12.563 1.00 60.07 ? 475 PHE b CD1 1 ? ? +32879 ATOM C CD2 . PHE V 2 474 ? 37.211 -2.197 14.806 1.00 60.64 ? 475 PHE b CD2 1 ? ? +32880 ATOM C CE1 . PHE V 2 474 ? 37.981 -0.501 12.793 1.00 60.29 ? 475 PHE b CE1 1 ? ? +32881 ATOM C CE2 . PHE V 2 474 ? 37.307 -0.839 15.038 1.00 60.83 ? 475 PHE b CE2 1 ? ? +32882 ATOM C CZ . PHE V 2 474 ? 37.683 0.004 14.028 1.00 60.68 ? 475 PHE b CZ 1 ? ? +32883 ATOM C C . PHE V 2 474 ? 38.451 -6.455 13.372 1.00 63.46 ? 475 PHE b C 1 ? ? +32884 ATOM O O . PHE V 2 474 ? 37.437 -6.905 13.879 1.00 63.40 ? 475 PHE b O 1 ? ? +32885 ATOM N N . ARG V 2 475 ? 39.387 -7.219 12.805 1.00 66.19 ? 476 ARG b N 1 ? ? +32886 ATOM C CA . ARG V 2 475 ? 39.277 -8.667 12.727 1.00 68.46 ? 476 ARG b CA 1 ? ? +32887 ATOM C CB . ARG V 2 475 ? 40.601 -9.257 12.240 1.00 71.48 ? 476 ARG b CB 1 ? ? +32888 ATOM C CG . ARG V 2 475 ? 40.625 -10.773 12.180 1.00 74.71 ? 476 ARG b CG 1 ? ? +32889 ATOM C CD . ARG V 2 475 ? 41.928 -11.252 11.573 1.00 79.01 ? 476 ARG b CD 1 ? ? +32890 ATOM N NE . ARG V 2 475 ? 42.429 -12.479 12.187 1.00 83.02 ? 476 ARG b NE 1 ? ? +32891 ATOM C CZ . ARG V 2 475 ? 43.249 -13.332 11.590 1.00 86.34 ? 476 ARG b CZ 1 ? ? +32892 ATOM N NH1 . ARG V 2 475 ? 43.442 -13.302 10.281 1.00 87.19 ? 476 ARG b NH1 1 ? ? +32893 ATOM N NH2 . ARG V 2 475 ? 43.865 -14.260 12.318 1.00 88.69 ? 476 ARG b NH2 1 ? ? +32894 ATOM C C . ARG V 2 475 ? 38.910 -9.290 14.069 1.00 68.17 ? 476 ARG b C 1 ? ? +32895 ATOM O O . ARG V 2 475 ? 38.089 -10.204 14.124 1.00 67.86 ? 476 ARG b O 1 ? ? +32896 ATOM N N . ASP V 2 476 ? 39.528 -8.777 15.136 1.00 68.39 ? 477 ASP b N 1 ? ? +32897 ATOM C CA . ASP V 2 476 ? 39.351 -9.325 16.469 1.00 69.15 ? 477 ASP b CA 1 ? ? +32898 ATOM C CB . ASP V 2 476 ? 40.325 -8.646 17.429 1.00 69.71 ? 477 ASP b CB 1 ? ? +32899 ATOM C CG . ASP V 2 476 ? 40.085 -7.164 17.593 1.00 70.20 ? 477 ASP b CG 1 ? ? +32900 ATOM O OD1 . ASP V 2 476 ? 39.836 -6.488 16.584 1.00 70.03 ? 477 ASP b OD1 1 ? ? +32901 ATOM O OD2 . ASP V 2 476 ? 40.148 -6.682 18.721 1.00 71.57 ? 477 ASP b OD2 1 ? ? +32902 ATOM C C . ASP V 2 476 ? 37.928 -9.227 17.026 1.00 69.09 ? 477 ASP b C 1 ? ? +32903 ATOM O O . ASP V 2 476 ? 37.578 -9.976 17.933 1.00 69.87 ? 477 ASP b O 1 ? ? +32904 ATOM N N A VAL V 2 477 ? 37.120 -8.296 16.504 0.40 68.61 ? 478 VAL b N 1 ? ? +32905 ATOM N N B VAL V 2 477 ? 37.128 -8.307 16.472 0.60 68.50 ? 478 VAL b N 1 ? ? +32906 ATOM C CA A VAL V 2 477 ? 35.749 -8.131 16.960 0.40 68.44 ? 478 VAL b CA 1 ? ? +32907 ATOM C CA B VAL V 2 477 ? 35.752 -8.125 16.902 0.60 68.31 ? 478 VAL b CA 1 ? ? +32908 ATOM C C A VAL V 2 477 ? 34.734 -8.399 15.852 0.40 67.81 ? 478 VAL b C 1 ? ? +32909 ATOM C C B VAL V 2 477 ? 34.749 -8.339 15.772 0.60 67.66 ? 478 VAL b C 1 ? ? +32910 ATOM O O A VAL V 2 477 ? 33.576 -8.012 15.977 0.40 67.81 ? 478 VAL b O 1 ? ? +32911 ATOM O O B VAL V 2 477 ? 33.631 -7.842 15.854 0.60 67.67 ? 478 VAL b O 1 ? ? +32912 ATOM C CB A VAL V 2 477 ? 35.527 -6.723 17.560 0.40 68.55 ? 478 VAL b CB 1 ? ? +32913 ATOM C CB B VAL V 2 477 ? 35.554 -6.724 17.540 0.60 68.43 ? 478 VAL b CB 1 ? ? +32914 ATOM C CG1 A VAL V 2 477 ? 36.272 -6.563 18.879 0.40 69.41 ? 478 VAL b CG1 1 ? ? +32915 ATOM C CG1 B VAL V 2 477 ? 36.371 -6.580 18.819 0.60 69.30 ? 478 VAL b CG1 1 ? ? +32916 ATOM C CG2 A VAL V 2 477 ? 35.916 -5.633 16.574 0.40 68.29 ? 478 VAL b CG2 1 ? ? +32917 ATOM C CG2 B VAL V 2 477 ? 35.878 -5.603 16.556 0.60 68.15 ? 478 VAL b CG2 1 ? ? +32918 ATOM N N A PHE V 2 478 ? 35.166 -9.078 14.783 0.40 67.81 ? 479 PHE b N 1 ? ? +32919 ATOM N N B PHE V 2 478 ? 35.134 -9.088 14.732 0.60 67.64 ? 479 PHE b N 1 ? ? +32920 ATOM C CA A PHE V 2 478 ? 34.309 -9.294 13.629 0.40 67.56 ? 479 PHE b CA 1 ? ? +32921 ATOM C CA B PHE V 2 478 ? 34.261 -9.291 13.587 0.60 67.56 ? 479 PHE b CA 1 ? ? +32922 ATOM C C A PHE V 2 478 ? 33.015 -10.017 14.014 0.40 68.01 ? 479 PHE b C 1 ? ? +32923 ATOM C C B PHE V 2 478 ? 32.962 -10.009 13.972 0.60 67.93 ? 479 PHE b C 1 ? ? +32924 ATOM O O A PHE V 2 478 ? 31.942 -9.693 13.505 0.40 66.83 ? 479 PHE b O 1 ? ? +32925 ATOM O O B PHE V 2 478 ? 31.889 -9.657 13.477 0.60 66.37 ? 479 PHE b O 1 ? ? +32926 ATOM C CB A PHE V 2 478 ? 35.059 -10.069 12.526 0.40 67.26 ? 479 PHE b CB 1 ? ? +32927 ATOM C CB B PHE V 2 478 ? 34.988 -10.063 12.470 0.60 67.42 ? 479 PHE b CB 1 ? ? +32928 ATOM C CG A PHE V 2 478 ? 34.195 -10.415 11.321 0.40 66.65 ? 479 PHE b CG 1 ? ? +32929 ATOM C CG B PHE V 2 478 ? 34.092 -10.431 11.301 0.60 67.10 ? 479 PHE b CG 1 ? ? +32930 ATOM C CD1 A PHE V 2 478 ? 33.723 -9.424 10.474 0.40 66.38 ? 479 PHE b CD1 1 ? ? +32931 ATOM C CD1 B PHE V 2 478 ? 33.528 -9.449 10.496 0.60 67.07 ? 479 PHE b CD1 1 ? ? +32932 ATOM C CD2 A PHE V 2 478 ? 33.840 -11.728 11.052 0.40 66.47 ? 479 PHE b CD2 1 ? ? +32933 ATOM C CD2 B PHE V 2 478 ? 33.792 -11.756 11.024 0.60 67.05 ? 479 PHE b CD2 1 ? ? +32934 ATOM C CE1 A PHE V 2 478 ? 32.923 -9.744 9.372 0.40 65.56 ? 479 PHE b CE1 1 ? ? +32935 ATOM C CE1 B PHE V 2 478 ? 32.696 -9.791 9.421 0.60 66.24 ? 479 PHE b CE1 1 ? ? +32936 ATOM C CE2 A PHE V 2 478 ? 33.030 -12.041 9.957 0.40 65.88 ? 479 PHE b CE2 1 ? ? +32937 ATOM C CE2 B PHE V 2 478 ? 32.953 -12.092 9.956 0.60 66.58 ? 479 PHE b CE2 1 ? ? +32938 ATOM C CZ A PHE V 2 478 ? 32.580 -11.051 9.124 0.40 65.29 ? 479 PHE b CZ 1 ? ? +32939 ATOM C CZ B PHE V 2 478 ? 32.416 -11.108 9.160 0.60 65.94 ? 479 PHE b CZ 1 ? ? +32940 ATOM N N A SER V 2 479 ? 33.132 -10.996 14.922 0.40 69.21 ? 480 SER b N 1 ? ? +32941 ATOM N N B SER V 2 479 ? 33.079 -11.006 14.866 0.60 69.02 ? 480 SER b N 1 ? ? +32942 ATOM C CA A SER V 2 479 ? 32.001 -11.809 15.341 0.40 69.37 ? 480 SER b CA 1 ? ? +32943 ATOM C CA B SER V 2 479 ? 31.955 -11.812 15.322 0.60 69.02 ? 480 SER b CA 1 ? ? +32944 ATOM C C A SER V 2 479 ? 31.205 -11.190 16.486 0.40 70.54 ? 480 SER b C 1 ? ? +32945 ATOM C C B SER V 2 479 ? 31.193 -11.209 16.500 0.60 70.17 ? 480 SER b C 1 ? ? +32946 ATOM O O A SER V 2 479 ? 30.126 -11.675 16.821 0.40 71.27 ? 480 SER b O 1 ? ? +32947 ATOM O O B SER V 2 479 ? 30.153 -11.734 16.888 0.60 71.35 ? 480 SER b O 1 ? ? +32948 ATOM C CB A SER V 2 479 ? 32.470 -13.198 15.763 0.40 69.50 ? 480 SER b CB 1 ? ? +32949 ATOM C CB B SER V 2 479 ? 32.428 -13.205 15.729 0.60 69.07 ? 480 SER b CB 1 ? ? +32950 ATOM O OG A SER V 2 479 ? 32.903 -13.956 14.647 0.40 69.09 ? 480 SER b OG 1 ? ? +32951 ATOM O OG B SER V 2 479 ? 32.863 -13.949 14.605 0.60 68.64 ? 480 SER b OG 1 ? ? +32952 ATOM N N A GLY V 2 480 ? 31.747 -10.125 17.084 0.40 71.78 ? 481 GLY b N 1 ? ? +32953 ATOM N N B GLY V 2 480 ? 31.720 -10.117 17.066 0.60 71.18 ? 481 GLY b N 1 ? ? +32954 ATOM C CA A GLY V 2 480 ? 31.119 -9.473 18.220 0.40 72.79 ? 481 GLY b CA 1 ? ? +32955 ATOM C CA B GLY V 2 480 ? 31.120 -9.473 18.222 0.60 72.08 ? 481 GLY b CA 1 ? ? +32956 ATOM C C A GLY V 2 480 ? 32.155 -8.917 19.190 0.40 74.60 ? 481 GLY b C 1 ? ? +32957 ATOM C C B GLY V 2 480 ? 32.165 -8.811 19.115 0.60 73.79 ? 481 GLY b C 1 ? ? +32958 ATOM O O A GLY V 2 480 ? 33.332 -9.258 19.109 0.40 74.61 ? 481 GLY b O 1 ? ? +32959 ATOM O O B GLY V 2 480 ? 33.363 -8.933 18.871 0.60 73.49 ? 481 GLY b O 1 ? ? +32960 ATOM N N A ILE V 2 481 ? 31.703 -8.061 20.110 0.40 76.40 ? 482 ILE b N 1 ? ? +32961 ATOM N N B ILE V 2 481 ? 31.685 -8.103 20.143 0.60 75.68 ? 482 ILE b N 1 ? ? +32962 ATOM C CA A ILE V 2 481 ? 32.592 -7.478 21.099 0.40 78.28 ? 482 ILE b CA 1 ? ? +32963 ATOM C CA B ILE V 2 481 ? 32.551 -7.471 21.123 0.60 77.47 ? 482 ILE b CA 1 ? ? +32964 ATOM C C A ILE V 2 481 ? 32.754 -8.446 22.266 0.40 80.88 ? 482 ILE b C 1 ? ? +32965 ATOM C C B ILE V 2 481 ? 32.688 -8.390 22.330 0.60 80.23 ? 482 ILE b C 1 ? ? +32966 ATOM O O A ILE V 2 481 ? 31.960 -9.369 22.433 0.40 80.72 ? 482 ILE b O 1 ? ? +32967 ATOM O O B ILE V 2 481 ? 31.790 -9.180 22.617 0.60 79.98 ? 482 ILE b O 1 ? ? +32968 ATOM C CB A ILE V 2 481 ? 32.095 -6.090 21.561 0.40 78.07 ? 482 ILE b CB 1 ? ? +32969 ATOM C CB B ILE V 2 481 ? 32.032 -6.073 21.531 0.60 77.15 ? 482 ILE b CB 1 ? ? +32970 ATOM C CG1 A ILE V 2 481 ? 30.856 -6.188 22.460 0.40 77.93 ? 482 ILE b CG1 1 ? ? +32971 ATOM C CG1 B ILE V 2 481 ? 30.801 -6.155 22.447 0.60 77.16 ? 482 ILE b CG1 1 ? ? +32972 ATOM C CG2 A ILE V 2 481 ? 31.847 -5.187 20.354 0.40 77.47 ? 482 ILE b CG2 1 ? ? +32973 ATOM C CG2 B ILE V 2 481 ? 31.762 -5.218 20.292 0.60 76.36 ? 482 ILE b CG2 1 ? ? +32974 ATOM C CD1 A ILE V 2 481 ? 30.426 -4.871 23.043 0.40 78.03 ? 482 ILE b CD1 1 ? ? +32975 ATOM C CD1 B ILE V 2 481 ? 30.313 -4.861 22.890 0.60 77.27 ? 482 ILE b CD1 1 ? ? +32976 ATOM N N A ASP V 2 482 ? 33.804 -8.223 23.063 0.40 84.34 ? 483 ASP b N 1 ? ? +32977 ATOM N N B ASP V 2 482 ? 33.815 -8.254 23.038 0.60 84.03 ? 483 ASP b N 1 ? ? +32978 ATOM C CA A ASP V 2 482 ? 34.135 -9.113 24.161 0.40 87.32 ? 483 ASP b CA 1 ? ? +32979 ATOM C CA B ASP V 2 482 ? 34.138 -9.120 24.158 0.60 87.26 ? 483 ASP b CA 1 ? ? +32980 ATOM C C A ASP V 2 482 ? 32.969 -9.196 25.141 0.40 89.39 ? 483 ASP b C 1 ? ? +32981 ATOM C C B ASP V 2 482 ? 32.950 -9.202 25.117 0.60 89.05 ? 483 ASP b C 1 ? ? +32982 ATOM O O A ASP V 2 482 ? 32.473 -8.175 25.600 0.40 88.67 ? 483 ASP b O 1 ? ? +32983 ATOM O O B ASP V 2 482 ? 32.416 -8.174 25.528 0.60 87.95 ? 483 ASP b O 1 ? ? +32984 ATOM C CB A ASP V 2 482 ? 35.407 -8.636 24.875 0.40 88.63 ? 483 ASP b CB 1 ? ? +32985 ATOM C CB B ASP V 2 482 ? 35.406 -8.612 24.868 0.60 88.92 ? 483 ASP b CB 1 ? ? +32986 ATOM C CG A ASP V 2 482 ? 35.886 -9.611 25.923 0.40 89.83 ? 483 ASP b CG 1 ? ? +32987 ATOM C CG B ASP V 2 482 ? 35.981 -9.578 25.876 0.60 90.49 ? 483 ASP b CG 1 ? ? +32988 ATOM O OD1 A ASP V 2 482 ? 36.062 -10.798 25.593 0.40 89.80 ? 483 ASP b OD1 1 ? ? +32989 ATOM O OD1 B ASP V 2 482 ? 36.271 -10.733 25.493 0.60 90.52 ? 483 ASP b OD1 1 ? ? +32990 ATOM O OD2 A ASP V 2 482 ? 36.077 -9.193 27.076 0.40 91.80 ? 483 ASP b OD2 1 ? ? +32991 ATOM O OD2 B ASP V 2 482 ? 36.155 -9.179 27.043 0.60 93.15 ? 483 ASP b OD2 1 ? ? +32992 ATOM N N A PRO V 2 483 ? 32.478 -10.407 25.485 0.40 92.81 ? 484 PRO b N 1 ? ? +32993 ATOM N N B PRO V 2 483 ? 32.467 -10.420 25.470 0.60 92.41 ? 484 PRO b N 1 ? ? +32994 ATOM C CA A PRO V 2 483 ? 31.384 -10.542 26.448 0.40 94.83 ? 484 PRO b CA 1 ? ? +32995 ATOM C CA B PRO V 2 483 ? 31.383 -10.559 26.447 0.60 94.19 ? 484 PRO b CA 1 ? ? +32996 ATOM C C A PRO V 2 483 ? 31.716 -9.928 27.806 0.40 99.57 ? 484 PRO b C 1 ? ? +32997 ATOM C C B PRO V 2 483 ? 31.711 -9.979 27.822 0.60 99.12 ? 484 PRO b C 1 ? ? +32998 ATOM O O A PRO V 2 483 ? 30.815 -9.454 28.499 0.40 100.63 ? 484 PRO b O 1 ? ? +32999 ATOM O O B PRO V 2 483 ? 30.801 -9.593 28.552 0.60 100.46 ? 484 PRO b O 1 ? ? +33000 ATOM C CB A PRO V 2 483 ? 31.166 -12.060 26.534 0.40 93.85 ? 484 PRO b CB 1 ? ? +33001 ATOM C CB B PRO V 2 483 ? 31.156 -12.077 26.525 0.60 93.06 ? 484 PRO b CB 1 ? ? +33002 ATOM C CG A PRO V 2 483 ? 31.804 -12.622 25.281 0.40 92.99 ? 484 PRO b CG 1 ? ? +33003 ATOM C CG B PRO V 2 483 ? 31.787 -12.641 25.275 0.60 92.30 ? 484 PRO b CG 1 ? ? +33004 ATOM C CD A PRO V 2 483 ? 32.940 -11.700 24.956 0.40 92.90 ? 484 PRO b CD 1 ? ? +33005 ATOM C CD B PRO V 2 483 ? 32.922 -11.717 24.936 0.60 92.29 ? 484 PRO b CD 1 ? ? +33006 ATOM N N . GLU V 2 484 ? 33.010 -9.934 28.164 1.00 104.33 ? 485 GLU b N 1 ? ? +33007 ATOM C CA . GLU V 2 484 ? 33.476 -9.341 29.418 1.00 110.69 ? 485 GLU b CA 1 ? ? +33008 ATOM C CB . GLU V 2 484 ? 34.529 -10.237 30.125 1.00 115.19 ? 485 GLU b CB 1 ? ? +33009 ATOM C CG . GLU V 2 484 ? 34.035 -11.633 30.467 1.00 118.25 ? 485 GLU b CG 1 ? ? +33010 ATOM C CD . GLU V 2 484 ? 34.607 -12.754 29.625 1.00 120.36 ? 485 GLU b CD 1 ? ? +33011 ATOM O OE1 . GLU V 2 484 ? 35.596 -12.513 28.896 1.00 121.91 ? 485 GLU b OE1 1 ? ? +33012 ATOM O OE2 . GLU V 2 484 ? 34.065 -13.880 29.697 1.00 121.97 ? 485 GLU b OE2 1 ? ? +33013 ATOM C C . GLU V 2 484 ? 34.102 -7.953 29.271 1.00 113.02 ? 485 GLU b C 1 ? ? +33014 ATOM O O . GLU V 2 484 ? 35.072 -7.640 29.964 1.00 111.01 ? 485 GLU b O 1 ? ? +33015 ATOM N N A LEU V 2 485 ? 33.544 -7.134 28.373 0.40 114.49 ? 486 LEU b N 1 ? ? +33016 ATOM N N B LEU V 2 485 ? 33.522 -7.123 28.388 0.60 114.66 ? 486 LEU b N 1 ? ? +33017 ATOM C CA A LEU V 2 485 ? 34.102 -5.825 28.062 0.40 116.65 ? 486 LEU b CA 1 ? ? +33018 ATOM C CA B LEU V 2 485 ? 34.078 -5.816 28.070 0.60 116.75 ? 486 LEU b CA 1 ? ? +33019 ATOM C C A LEU V 2 485 ? 34.062 -4.961 29.315 0.40 119.96 ? 486 LEU b C 1 ? ? +33020 ATOM C C B LEU V 2 485 ? 34.061 -4.986 29.350 0.60 120.52 ? 486 LEU b C 1 ? ? +33021 ATOM O O A LEU V 2 485 ? 32.977 -4.713 29.849 0.40 121.56 ? 486 LEU b O 1 ? ? +33022 ATOM O O B LEU V 2 485 ? 33.000 -4.780 29.939 0.60 122.68 ? 486 LEU b O 1 ? ? +33023 ATOM C CB A LEU V 2 485 ? 33.305 -5.143 26.929 0.40 115.47 ? 486 LEU b CB 1 ? ? +33024 ATOM C CB B LEU V 2 485 ? 33.283 -5.105 26.944 0.60 115.18 ? 486 LEU b CB 1 ? ? +33025 ATOM C CG A LEU V 2 485 ? 34.092 -4.191 26.028 0.40 115.28 ? 486 LEU b CG 1 ? ? +33026 ATOM C CG B LEU V 2 485 ? 34.103 -4.224 25.973 0.60 114.75 ? 486 LEU b CG 1 ? ? +33027 ATOM C CD1 A LEU V 2 485 ? 33.168 -3.476 25.054 0.40 114.20 ? 486 LEU b CD1 1 ? ? +33028 ATOM C CD1 B LEU V 2 485 ? 33.207 -3.539 24.967 0.60 113.28 ? 486 LEU b CD1 1 ? ? +33029 ATOM C CD2 A LEU V 2 485 ? 34.886 -3.179 26.819 0.40 116.49 ? 486 LEU b CD2 1 ? ? +33030 ATOM C CD2 B LEU V 2 485 ? 34.930 -3.179 26.700 0.60 116.20 ? 486 LEU b CD2 1 ? ? +33031 ATOM N N . SER V 2 486 ? 35.252 -4.542 29.778 1.00 121.92 ? 487 SER b N 1 ? ? +33032 ATOM C CA . SER V 2 486 ? 35.403 -3.786 31.015 1.00 122.00 ? 487 SER b CA 1 ? ? +33033 ATOM C CB . SER V 2 486 ? 36.862 -3.398 31.229 1.00 119.13 ? 487 SER b CB 1 ? ? +33034 ATOM O OG . SER V 2 486 ? 37.680 -4.550 31.266 1.00 117.15 ? 487 SER b OG 1 ? ? +33035 ATOM C C . SER V 2 486 ? 34.551 -2.521 31.033 1.00 125.54 ? 487 SER b C 1 ? ? +33036 ATOM O O . SER V 2 486 ? 34.788 -1.625 30.229 1.00 125.99 ? 487 SER b O 1 ? ? +33037 ATOM N N . PRO V 2 487 ? 33.512 -2.422 31.903 1.00 128.22 ? 488 PRO b N 1 ? ? +33038 ATOM C CA . PRO V 2 487 ? 32.631 -1.247 31.899 1.00 126.30 ? 488 PRO b CA 1 ? ? +33039 ATOM C CB . PRO V 2 487 ? 31.592 -1.562 32.988 1.00 124.14 ? 488 PRO b CB 1 ? ? +33040 ATOM C CG . PRO V 2 487 ? 31.700 -3.072 33.218 1.00 124.88 ? 488 PRO b CG 1 ? ? +33041 ATOM C CD . PRO V 2 487 ? 33.128 -3.432 32.909 1.00 127.29 ? 488 PRO b CD 1 ? ? +33042 ATOM C C . PRO V 2 487 ? 33.370 0.066 32.174 1.00 128.28 ? 488 PRO b C 1 ? ? +33043 ATOM O O . PRO V 2 487 ? 32.879 1.143 31.830 1.00 126.00 ? 488 PRO b O 1 ? ? +33044 ATOM N N . GLU V 2 488 ? 34.566 -0.043 32.773 1.00 128.86 ? 489 GLU b N 1 ? ? +33045 ATOM C CA . GLU V 2 488 ? 35.445 1.090 33.025 1.00 127.10 ? 489 GLU b CA 1 ? ? +33046 ATOM C CB . GLU V 2 488 ? 36.546 0.696 34.027 1.00 130.33 ? 489 GLU b CB 1 ? ? +33047 ATOM C CG . GLU V 2 488 ? 36.055 0.163 35.358 1.00 130.00 ? 489 GLU b CG 1 ? ? +33048 ATOM C CD . GLU V 2 488 ? 37.161 -0.176 36.339 1.00 129.39 ? 489 GLU b CD 1 ? ? +33049 ATOM O OE1 . GLU V 2 488 ? 38.355 -0.176 35.954 1.00 126.22 ? 489 GLU b OE1 1 ? ? +33050 ATOM O OE2 . GLU V 2 488 ? 36.822 -0.434 37.513 1.00 130.00 ? 489 GLU b OE2 1 ? ? +33051 ATOM C C . GLU V 2 488 ? 36.115 1.610 31.753 1.00 122.29 ? 489 GLU b C 1 ? ? +33052 ATOM O O . GLU V 2 488 ? 36.399 2.796 31.634 1.00 120.03 ? 489 GLU b O 1 ? ? +33053 ATOM N N . GLN V 2 489 ? 36.396 0.706 30.808 1.00 119.46 ? 490 GLN b N 1 ? ? +33054 ATOM C CA . GLN V 2 489 ? 36.992 1.078 29.536 1.00 118.16 ? 490 GLN b CA 1 ? ? +33055 ATOM C CB . GLN V 2 489 ? 37.390 -0.182 28.741 1.00 119.22 ? 490 GLN b CB 1 ? ? +33056 ATOM C CG . GLN V 2 489 ? 38.027 0.138 27.383 1.00 119.73 ? 490 GLN b CG 1 ? ? +33057 ATOM C CD . GLN V 2 489 ? 38.697 -1.068 26.772 1.00 119.70 ? 490 GLN b CD 1 ? ? +33058 ATOM O OE1 . GLN V 2 489 ? 39.591 -1.666 27.391 1.00 118.30 ? 490 GLN b OE1 1 ? ? +33059 ATOM N NE2 . GLN V 2 489 ? 38.278 -1.452 25.554 1.00 116.57 ? 490 GLN b NE2 1 ? ? +33060 ATOM C C . GLN V 2 489 ? 36.087 1.950 28.671 1.00 115.69 ? 490 GLN b C 1 ? ? +33061 ATOM O O . GLN V 2 489 ? 36.585 2.755 27.887 1.00 115.40 ? 490 GLN b O 1 ? ? +33062 ATOM N N A VAL V 2 490 ? 34.764 1.786 28.816 0.40 114.96 ? 491 VAL b N 1 ? ? +33063 ATOM N N B VAL V 2 490 ? 34.772 1.769 28.832 0.60 113.99 ? 491 VAL b N 1 ? ? +33064 ATOM C CA A VAL V 2 490 ? 33.785 2.462 27.978 0.40 112.63 ? 491 VAL b CA 1 ? ? +33065 ATOM C CA B VAL V 2 490 ? 33.787 2.433 27.997 0.60 110.53 ? 491 VAL b CA 1 ? ? +33066 ATOM C C A VAL V 2 490 ? 33.098 3.629 28.690 0.40 112.17 ? 491 VAL b C 1 ? ? +33067 ATOM C C B VAL V 2 490 ? 33.140 3.634 28.689 0.60 110.89 ? 491 VAL b C 1 ? ? +33068 ATOM O O A VAL V 2 490 ? 32.532 4.501 28.033 0.40 111.60 ? 491 VAL b O 1 ? ? +33069 ATOM O O B VAL V 2 490 ? 32.645 4.536 28.019 0.60 110.29 ? 491 VAL b O 1 ? ? +33070 ATOM C CB A VAL V 2 490 ? 32.738 1.444 27.469 0.40 111.48 ? 491 VAL b CB 1 ? ? +33071 ATOM C CB B VAL V 2 490 ? 32.718 1.420 27.542 0.60 107.71 ? 491 VAL b CB 1 ? ? +33072 ATOM C CG1 A VAL V 2 490 ? 31.998 1.982 26.253 0.40 111.10 ? 491 VAL b CG1 1 ? ? +33073 ATOM C CG1 B VAL V 2 490 ? 31.999 1.944 26.320 0.60 106.08 ? 491 VAL b CG1 1 ? ? +33074 ATOM C CG2 A VAL V 2 490 ? 33.380 0.094 27.155 0.40 111.40 ? 491 VAL b CG2 1 ? ? +33075 ATOM C CG2 B VAL V 2 490 ? 33.318 0.040 27.265 0.60 107.87 ? 491 VAL b CG2 1 ? ? +33076 ATOM N N . GLU V 2 491 ? 33.146 3.640 30.028 1.00 112.27 ? 492 GLU b N 1 ? ? +33077 ATOM C CA . GLU V 2 491 ? 32.590 4.743 30.803 1.00 113.23 ? 492 GLU b CA 1 ? ? +33078 ATOM C CB . GLU V 2 491 ? 32.056 4.255 32.169 1.00 116.13 ? 492 GLU b CB 1 ? ? +33079 ATOM C CG . GLU V 2 491 ? 30.713 3.544 32.092 1.00 115.19 ? 492 GLU b CG 1 ? ? +33080 ATOM C CD . GLU V 2 491 ? 30.331 2.766 33.338 1.00 116.74 ? 492 GLU b CD 1 ? ? +33081 ATOM O OE1 . GLU V 2 491 ? 30.423 3.332 34.452 1.00 118.37 ? 492 GLU b OE1 1 ? ? +33082 ATOM O OE2 . GLU V 2 491 ? 29.944 1.583 33.200 1.00 116.13 ? 492 GLU b OE2 1 ? ? +33083 ATOM C C . GLU V 2 491 ? 33.667 5.809 30.987 1.00 111.70 ? 492 GLU b C 1 ? ? +33084 ATOM O O . GLU V 2 491 ? 34.854 5.503 30.943 1.00 112.93 ? 492 GLU b O 1 ? ? +33085 ATOM N N A TRP V 2 492 ? 33.236 7.056 31.210 0.40 111.46 ? 493 TRP b N 1 ? ? +33086 ATOM N N B TRP V 2 492 ? 33.239 7.057 31.213 0.60 110.93 ? 493 TRP b N 1 ? ? +33087 ATOM C CA A TRP V 2 492 ? 34.138 8.187 31.356 0.40 111.17 ? 493 TRP b CA 1 ? ? +33088 ATOM C CA B TRP V 2 492 ? 34.158 8.177 31.343 0.60 110.18 ? 493 TRP b CA 1 ? ? +33089 ATOM C C A TRP V 2 492 ? 34.692 8.301 32.775 0.40 112.13 ? 493 TRP b C 1 ? ? +33090 ATOM C C B TRP V 2 492 ? 34.699 8.286 32.767 0.60 111.65 ? 493 TRP b C 1 ? ? +33091 ATOM O O A TRP V 2 492 ? 34.011 7.974 33.744 0.40 112.75 ? 493 TRP b O 1 ? ? +33092 ATOM O O B TRP V 2 492 ? 34.019 7.920 33.725 0.60 112.41 ? 493 TRP b O 1 ? ? +33093 ATOM C CB A TRP V 2 492 ? 33.431 9.502 30.993 0.40 110.70 ? 493 TRP b CB 1 ? ? +33094 ATOM C CB B TRP V 2 492 ? 33.488 9.512 30.952 0.60 109.09 ? 493 TRP b CB 1 ? ? +33095 ATOM C CG A TRP V 2 492 ? 33.128 9.673 29.539 0.40 109.13 ? 493 TRP b CG 1 ? ? +33096 ATOM C CG B TRP V 2 492 ? 33.186 9.665 29.490 0.60 106.63 ? 493 TRP b CG 1 ? ? +33097 ATOM C CD1 A TRP V 2 492 ? 33.797 10.460 28.650 0.40 108.09 ? 493 TRP b CD1 1 ? ? +33098 ATOM C CD1 B TRP V 2 492 ? 33.885 10.406 28.583 0.60 104.98 ? 493 TRP b CD1 1 ? ? +33099 ATOM C CD2 A TRP V 2 492 ? 32.046 9.076 28.816 0.40 107.56 ? 493 TRP b CD2 1 ? ? +33100 ATOM C CD2 B TRP V 2 492 ? 32.078 9.096 28.778 0.60 104.30 ? 493 TRP b CD2 1 ? ? +33101 ATOM N NE1 A TRP V 2 492 ? 33.211 10.374 27.410 0.40 107.22 ? 493 TRP b NE1 1 ? ? +33102 ATOM N NE1 B TRP V 2 492 ? 33.297 10.314 27.344 0.60 103.90 ? 493 TRP b NE1 1 ? ? +33103 ATOM C CE2 A TRP V 2 492 ? 32.131 9.531 27.485 0.40 106.90 ? 493 TRP b CE2 1 ? ? +33104 ATOM C CE2 B TRP V 2 492 ? 32.183 9.516 27.436 0.60 103.43 ? 493 TRP b CE2 1 ? ? +33105 ATOM C CE3 A TRP V 2 492 ? 31.022 8.183 29.160 0.40 107.31 ? 493 TRP b CE3 1 ? ? +33106 ATOM C CE3 B TRP V 2 492 ? 31.011 8.260 29.141 0.60 103.78 ? 493 TRP b CE3 1 ? ? +33107 ATOM C CZ2 A TRP V 2 492 ? 31.227 9.132 26.503 0.40 106.29 ? 493 TRP b CZ2 1 ? ? +33108 ATOM C CZ2 B TRP V 2 492 ? 31.262 9.131 26.460 0.60 102.51 ? 493 TRP b CZ2 1 ? ? +33109 ATOM C CZ3 A TRP V 2 492 ? 30.126 7.795 28.186 0.40 106.62 ? 493 TRP b CZ3 1 ? ? +33110 ATOM C CZ3 B TRP V 2 492 ? 30.101 7.878 28.172 0.60 102.88 ? 493 TRP b CZ3 1 ? ? +33111 ATOM C CH2 A TRP V 2 492 ? 30.233 8.266 26.876 0.40 106.13 ? 493 TRP b CH2 1 ? ? +33112 ATOM C CH2 B TRP V 2 492 ? 30.230 8.312 26.851 0.60 102.12 ? 493 TRP b CH2 1 ? ? +33113 ATOM N N . GLY V 2 493 ? 35.933 8.792 32.881 1.00 112.52 ? 494 GLY b N 1 ? ? +33114 ATOM C CA . GLY V 2 493 ? 36.540 9.127 34.163 1.00 112.19 ? 494 GLY b CA 1 ? ? +33115 ATOM C C . GLY V 2 493 ? 37.573 8.124 34.671 1.00 111.18 ? 494 GLY b C 1 ? ? +33116 ATOM O O . GLY V 2 493 ? 38.356 8.452 35.555 1.00 109.14 ? 494 GLY b O 1 ? ? +33117 ATOM N N . PHE V 2 494 ? 37.569 6.913 34.097 1.00 111.66 ? 495 PHE b N 1 ? ? +33118 ATOM C CA . PHE V 2 494 ? 38.338 5.797 34.627 1.00 112.78 ? 495 PHE b CA 1 ? ? +33119 ATOM C CB . PHE V 2 494 ? 37.621 4.463 34.357 1.00 113.63 ? 495 PHE b CB 1 ? ? +33120 ATOM C CG . PHE V 2 494 ? 36.330 4.313 35.127 1.00 116.40 ? 495 PHE b CG 1 ? ? +33121 ATOM C CD1 . PHE V 2 494 ? 35.187 4.997 34.740 1.00 116.31 ? 495 PHE b CD1 1 ? ? +33122 ATOM C CD2 . PHE V 2 494 ? 36.258 3.484 36.235 1.00 117.85 ? 495 PHE b CD2 1 ? ? +33123 ATOM C CE1 . PHE V 2 494 ? 33.995 4.855 35.450 1.00 116.57 ? 495 PHE b CE1 1 ? ? +33124 ATOM C CE2 . PHE V 2 494 ? 35.066 3.348 36.948 1.00 118.44 ? 495 PHE b CE2 1 ? ? +33125 ATOM C CZ . PHE V 2 494 ? 33.943 4.034 36.549 1.00 117.24 ? 495 PHE b CZ 1 ? ? +33126 ATOM C C . PHE V 2 494 ? 39.761 5.756 34.071 1.00 111.40 ? 495 PHE b C 1 ? ? +33127 ATOM O O . PHE V 2 494 ? 40.708 5.602 34.837 1.00 108.61 ? 495 PHE b O 1 ? ? +33128 ATOM N N . TYR V 2 495 ? 39.898 5.884 32.745 1.00 109.80 ? 496 TYR b N 1 ? ? +33129 ATOM C CA . TYR V 2 495 ? 41.196 5.901 32.089 1.00 107.80 ? 496 TYR b CA 1 ? ? +33130 ATOM C CB . TYR V 2 495 ? 41.239 4.901 30.912 1.00 108.12 ? 496 TYR b CB 1 ? ? +33131 ATOM C CG . TYR V 2 495 ? 40.969 3.444 31.246 1.00 110.07 ? 496 TYR b CG 1 ? ? +33132 ATOM C CD1 . TYR V 2 495 ? 41.037 2.979 32.556 1.00 112.55 ? 496 TYR b CD1 1 ? ? +33133 ATOM C CD2 . TYR V 2 495 ? 40.641 2.531 30.249 1.00 109.33 ? 496 TYR b CD2 1 ? ? +33134 ATOM C CE1 . TYR V 2 495 ? 40.796 1.639 32.862 1.00 112.63 ? 496 TYR b CE1 1 ? ? +33135 ATOM C CE2 . TYR V 2 495 ? 40.408 1.191 30.540 1.00 109.48 ? 496 TYR b CE2 1 ? ? +33136 ATOM C CZ . TYR V 2 495 ? 40.477 0.750 31.849 1.00 112.10 ? 496 TYR b CZ 1 ? ? +33137 ATOM O OH . TYR V 2 495 ? 40.234 -0.572 32.136 1.00 113.39 ? 496 TYR b OH 1 ? ? +33138 ATOM C C . TYR V 2 495 ? 41.496 7.311 31.587 1.00 106.04 ? 496 TYR b C 1 ? ? +33139 ATOM O O . TYR V 2 495 ? 40.605 7.997 31.093 1.00 104.13 ? 496 TYR b O 1 ? ? +33140 ATOM N N . GLN V 2 496 ? 42.760 7.732 31.717 1.00 106.19 ? 497 GLN b N 1 ? ? +33141 ATOM C CA . GLN V 2 496 ? 43.195 9.024 31.210 1.00 105.69 ? 497 GLN b CA 1 ? ? +33142 ATOM C CB . GLN V 2 496 ? 44.589 9.389 31.729 1.00 107.55 ? 497 GLN b CB 1 ? ? +33143 ATOM C CG . GLN V 2 496 ? 44.695 9.448 33.245 1.00 108.97 ? 497 GLN b CG 1 ? ? +33144 ATOM C CD . GLN V 2 496 ? 46.133 9.592 33.702 1.00 110.71 ? 497 GLN b CD 1 ? ? +33145 ATOM O OE1 . GLN V 2 496 ? 46.780 10.626 33.486 1.00 111.46 ? 497 GLN b OE1 1 ? ? +33146 ATOM N NE2 . GLN V 2 496 ? 46.667 8.558 34.354 1.00 111.02 ? 497 GLN b NE2 1 ? ? +33147 ATOM C C . GLN V 2 496 ? 43.193 8.999 29.683 1.00 103.61 ? 497 GLN b C 1 ? ? +33148 ATOM O O . GLN V 2 496 ? 42.653 9.907 29.058 1.00 100.89 ? 497 GLN b O 1 ? ? +33149 ATOM N N . LYS V 2 497 ? 43.805 7.954 29.105 1.00 104.29 ? 498 LYS b N 1 ? ? +33150 ATOM C CA . LYS V 2 497 ? 43.790 7.718 27.667 1.00 103.88 ? 498 LYS b CA 1 ? ? +33151 ATOM C CB . LYS V 2 497 ? 45.202 7.321 27.175 1.00 103.40 ? 498 LYS b CB 1 ? ? +33152 ATOM C CG . LYS V 2 497 ? 45.327 7.093 25.671 1.00 102.57 ? 498 LYS b CG 1 ? ? +33153 ATOM C CD . LYS V 2 497 ? 46.713 6.560 25.307 1.00 102.84 ? 498 LYS b CD 1 ? ? +33154 ATOM C CE . LYS V 2 497 ? 46.931 6.401 23.824 1.00 102.36 ? 498 LYS b CE 1 ? ? +33155 ATOM N NZ . LYS V 2 497 ? 48.291 5.874 23.543 1.00 103.04 ? 498 LYS b NZ 1 ? ? +33156 ATOM C C . LYS V 2 497 ? 42.759 6.635 27.342 1.00 103.28 ? 498 LYS b C 1 ? ? +33157 ATOM O O . LYS V 2 497 ? 42.775 5.562 27.941 1.00 103.12 ? 498 LYS b O 1 ? ? +33158 ATOM N N . VAL V 2 498 ? 41.858 6.929 26.397 1.00 103.47 ? 499 VAL b N 1 ? ? +33159 ATOM C CA . VAL V 2 498 ? 40.736 6.052 26.096 1.00 103.83 ? 499 VAL b CA 1 ? ? +33160 ATOM C CB . VAL V 2 498 ? 39.735 6.726 25.124 1.00 100.51 ? 499 VAL b CB 1 ? ? +33161 ATOM C CG1 . VAL V 2 498 ? 38.674 5.750 24.624 1.00 98.73 ? 499 VAL b CG1 1 ? ? +33162 ATOM C CG2 . VAL V 2 498 ? 39.089 7.929 25.787 1.00 99.68 ? 499 VAL b CG2 1 ? ? +33163 ATOM C C . VAL V 2 498 ? 41.255 4.727 25.547 1.00 106.88 ? 499 VAL b C 1 ? ? +33164 ATOM O O . VAL V 2 498 ? 42.067 4.715 24.625 1.00 109.33 ? 499 VAL b O 1 ? ? +33165 ATOM N N . GLY V 2 499 ? 40.795 3.622 26.144 1.00 108.68 ? 500 GLY b N 1 ? ? +33166 ATOM C CA . GLY V 2 499 ? 41.177 2.291 25.697 1.00 108.95 ? 500 GLY b CA 1 ? ? +33167 ATOM C C . GLY V 2 499 ? 42.452 1.739 26.330 1.00 109.34 ? 500 GLY b C 1 ? ? +33168 ATOM O O . GLY V 2 499 ? 42.663 0.530 26.305 1.00 109.58 ? 500 GLY b O 1 ? ? +33169 ATOM N N . ASP V 2 500 ? 43.289 2.619 26.906 1.00 111.84 ? 501 ASP b N 1 ? ? +33170 ATOM C CA . ASP V 2 500 ? 44.557 2.223 27.506 1.00 113.19 ? 501 ASP b CA 1 ? ? +33171 ATOM C CB . ASP V 2 500 ? 45.622 3.312 27.252 1.00 113.40 ? 501 ASP b CB 1 ? ? +33172 ATOM C CG . ASP V 2 500 ? 47.065 2.900 27.501 1.00 115.80 ? 501 ASP b CG 1 ? ? +33173 ATOM O OD1 . ASP V 2 500 ? 47.300 2.057 28.389 1.00 117.85 ? 501 ASP b OD1 1 ? ? +33174 ATOM O OD2 . ASP V 2 500 ? 47.963 3.445 26.827 1.00 118.23 ? 501 ASP b OD2 1 ? ? +33175 ATOM C C . ASP V 2 500 ? 44.386 1.974 29.008 1.00 113.38 ? 501 ASP b C 1 ? ? +33176 ATOM O O . ASP V 2 500 ? 44.179 2.913 29.781 1.00 113.64 ? 501 ASP b O 1 ? ? +33177 ATOM N N . VAL V 2 501 ? 44.475 0.696 29.404 1.00 112.96 ? 502 VAL b N 1 ? ? +33178 ATOM C CA . VAL V 2 501 ? 44.193 0.272 30.767 1.00 112.05 ? 502 VAL b CA 1 ? ? +33179 ATOM C CB . VAL V 2 501 ? 43.860 -1.258 30.811 1.00 111.35 ? 502 VAL b CB 1 ? ? +33180 ATOM C CG1 . VAL V 2 501 ? 45.022 -2.114 30.288 1.00 111.78 ? 502 VAL b CG1 1 ? ? +33181 ATOM C CG2 . VAL V 2 501 ? 43.461 -1.695 32.216 1.00 111.02 ? 502 VAL b CG2 1 ? ? +33182 ATOM C C . VAL V 2 501 ? 45.319 0.632 31.739 1.00 112.47 ? 502 VAL b C 1 ? ? +33183 ATOM O O . VAL V 2 501 ? 45.079 0.720 32.943 1.00 114.46 ? 502 VAL b O 1 ? ? +33184 ATOM N N . THR V 2 502 ? 46.533 0.872 31.211 1.00 110.54 ? 503 THR b N 1 ? ? +33185 ATOM C CA . THR V 2 502 ? 47.677 1.256 32.031 1.00 110.23 ? 503 THR b CA 1 ? ? +33186 ATOM C CB . THR V 2 502 ? 49.033 1.037 31.279 1.00 107.21 ? 503 THR b CB 1 ? ? +33187 ATOM O OG1 . THR V 2 502 ? 49.187 2.016 30.247 1.00 105.01 ? 503 THR b OG1 1 ? ? +33188 ATOM C CG2 . THR V 2 502 ? 49.161 -0.359 30.682 1.00 105.38 ? 503 THR b CG2 1 ? ? +33189 ATOM C C . THR V 2 502 ? 47.614 2.704 32.528 1.00 110.78 ? 503 THR b C 1 ? ? +33190 ATOM O O . THR V 2 502 ? 48.517 3.141 33.238 1.00 109.08 ? 503 THR b O 1 ? ? +33191 ATOM N N . THR V 2 503 ? 46.551 3.438 32.152 1.00 111.06 ? 504 THR b N 1 ? ? +33192 ATOM C CA . THR V 2 503 ? 46.371 4.826 32.553 1.00 111.15 ? 504 THR b CA 1 ? ? +33193 ATOM C CB . THR V 2 503 ? 46.310 5.768 31.318 1.00 110.56 ? 504 THR b CB 1 ? ? +33194 ATOM O OG1 . THR V 2 503 ? 45.332 5.298 30.387 1.00 108.55 ? 504 THR b OG1 1 ? ? +33195 ATOM C CG2 . THR V 2 503 ? 47.679 5.959 30.659 1.00 110.54 ? 504 THR b CG2 1 ? ? +33196 ATOM C C . THR V 2 503 ? 45.128 5.055 33.411 1.00 109.08 ? 504 THR b C 1 ? ? +33197 ATOM O O . THR V 2 503 ? 44.495 6.100 33.299 1.00 107.28 ? 504 THR b O 1 ? ? +33198 ATOM N N . ARG V 2 504 ? 44.801 4.095 34.287 1.00 109.37 ? 505 ARG b N 1 ? ? +33199 ATOM C CA . ARG V 2 504 ? 43.699 4.262 35.224 1.00 109.84 ? 505 ARG b CA 1 ? ? +33200 ATOM C CB . ARG V 2 504 ? 43.280 2.909 35.859 1.00 111.22 ? 505 ARG b CB 1 ? ? +33201 ATOM C CG . ARG V 2 504 ? 41.964 2.962 36.696 1.00 112.26 ? 505 ARG b CG 1 ? ? +33202 ATOM C CD . ARG V 2 504 ? 42.143 2.796 38.214 1.00 113.77 ? 505 ARG b CD 1 ? ? +33203 ATOM N NE . ARG V 2 504 ? 42.988 3.813 38.841 1.00 115.17 ? 505 ARG b NE 1 ? ? +33204 ATOM C CZ . ARG V 2 504 ? 42.624 5.066 39.103 1.00 114.05 ? 505 ARG b CZ 1 ? ? +33205 ATOM N NH1 . ARG V 2 504 ? 41.450 5.542 38.721 1.00 113.82 ? 505 ARG b NH1 1 ? ? +33206 ATOM N NH2 . ARG V 2 504 ? 43.468 5.867 39.752 1.00 113.85 ? 505 ARG b NH2 1 ? ? +33207 ATOM C C . ARG V 2 504 ? 44.088 5.295 36.297 1.00 109.58 ? 505 ARG b C 1 ? ? +33208 ATOM O O . ARG V 2 504 ? 43.374 6.279 36.498 1.00 108.04 ? 505 ARG b O 1 ? ? +33209 ATOM O OXT . ARG V 2 504 ? 45.118 5.150 36.950 1.00 110.25 ? 505 ARG b OXT 1 ? ? +33210 ATOM N N . ASN W 19 1 ? 10.243 23.135 53.964 1.00 111.69 ? 19 ASN c N 1 ? ? +33211 ATOM C CA . ASN W 19 1 ? 11.607 22.688 54.245 1.00 111.05 ? 19 ASN c CA 1 ? ? +33212 ATOM C CB . ASN W 19 1 ? 11.628 21.824 55.526 1.00 111.59 ? 19 ASN c CB 1 ? ? +33213 ATOM C CG . ASN W 19 1 ? 10.766 20.582 55.477 1.00 110.99 ? 19 ASN c CG 1 ? ? +33214 ATOM O OD1 . ASN W 19 1 ? 11.009 19.662 54.693 1.00 110.36 ? 19 ASN c OD1 1 ? ? +33215 ATOM N ND2 . ASN W 19 1 ? 9.751 20.513 56.321 1.00 111.05 ? 19 ASN c ND2 1 ? ? +33216 ATOM C C . ASN W 19 1 ? 12.246 21.970 53.052 1.00 109.47 ? 19 ASN c C 1 ? ? +33217 ATOM O O . ASN W 19 1 ? 13.365 22.302 52.664 1.00 111.03 ? 19 ASN c O 1 ? ? +33218 ATOM N N . SER W 19 2 ? 11.523 21.006 52.463 1.00 106.48 ? 20 SER c N 1 ? ? +33219 ATOM C CA . SER W 19 2 ? 12.023 20.204 51.355 1.00 103.75 ? 20 SER c CA 1 ? ? +33220 ATOM C CB . SER W 19 2 ? 11.732 18.727 51.597 1.00 104.03 ? 20 SER c CB 1 ? ? +33221 ATOM O OG . SER W 19 2 ? 11.860 17.981 50.397 1.00 103.22 ? 20 SER c OG 1 ? ? +33222 ATOM C C . SER W 19 2 ? 11.410 20.588 50.012 1.00 101.22 ? 20 SER c C 1 ? ? +33223 ATOM O O . SER W 19 2 ? 10.292 21.102 49.959 1.00 101.21 ? 20 SER c O 1 ? ? +33224 ATOM N N . ILE W 19 3 ? 12.141 20.285 48.930 1.00 98.31 ? 21 ILE c N 1 ? ? +33225 ATOM C CA . ILE W 19 3 ? 11.654 20.530 47.582 1.00 96.63 ? 21 ILE c CA 1 ? ? +33226 ATOM C CB . ILE W 19 3 ? 12.826 20.549 46.556 1.00 95.53 ? 21 ILE c CB 1 ? ? +33227 ATOM C CG1 . ILE W 19 3 ? 12.364 21.200 45.227 1.00 95.09 ? 21 ILE c CG1 1 ? ? +33228 ATOM C CG2 . ILE W 19 3 ? 13.423 19.153 46.332 1.00 94.60 ? 21 ILE c CG2 1 ? ? +33229 ATOM C CD1 . ILE W 19 3 ? 13.456 21.444 44.205 1.00 94.62 ? 21 ILE c CD1 1 ? ? +33230 ATOM C C . ILE W 19 3 ? 10.563 19.527 47.193 1.00 95.40 ? 21 ILE c C 1 ? ? +33231 ATOM O O . ILE W 19 3 ? 9.763 19.803 46.295 1.00 94.62 ? 21 ILE c O 1 ? ? +33232 ATOM N N . PHE W 19 4 ? 10.535 18.372 47.878 1.00 93.85 ? 22 PHE c N 1 ? ? +33233 ATOM C CA . PHE W 19 4 ? 9.542 17.337 47.631 1.00 92.31 ? 22 PHE c CA 1 ? ? +33234 ATOM C CB . PHE W 19 4 ? 10.256 15.980 47.508 1.00 92.15 ? 22 PHE c CB 1 ? ? +33235 ATOM C CG . PHE W 19 4 ? 11.293 15.859 46.403 1.00 92.34 ? 22 PHE c CG 1 ? ? +33236 ATOM C CD1 . PHE W 19 4 ? 10.910 15.685 45.079 1.00 91.59 ? 22 PHE c CD1 1 ? ? +33237 ATOM C CD2 . PHE W 19 4 ? 12.654 15.900 46.693 1.00 92.85 ? 22 PHE c CD2 1 ? ? +33238 ATOM C CE1 . PHE W 19 4 ? 11.873 15.556 44.065 1.00 90.70 ? 22 PHE c CE1 1 ? ? +33239 ATOM C CE2 . PHE W 19 4 ? 13.608 15.781 45.679 1.00 91.88 ? 22 PHE c CE2 1 ? ? +33240 ATOM C CZ . PHE W 19 4 ? 13.211 15.608 44.373 1.00 90.79 ? 22 PHE c CZ 1 ? ? +33241 ATOM C C . PHE W 19 4 ? 8.465 17.267 48.717 1.00 91.58 ? 22 PHE c C 1 ? ? +33242 ATOM O O . PHE W 19 4 ? 7.764 16.263 48.833 1.00 91.07 ? 22 PHE c O 1 ? ? +33243 ATOM N N . ALA W 19 5 ? 8.317 18.349 49.493 1.00 91.19 ? 23 ALA c N 1 ? ? +33244 ATOM C CA . ALA W 19 5 ? 7.426 18.370 50.643 1.00 91.31 ? 23 ALA c CA 1 ? ? +33245 ATOM C CB . ALA W 19 5 ? 7.732 19.587 51.513 1.00 92.04 ? 23 ALA c CB 1 ? ? +33246 ATOM C C . ALA W 19 5 ? 5.939 18.360 50.286 1.00 89.99 ? 23 ALA c C 1 ? ? +33247 ATOM O O . ALA W 19 5 ? 5.120 17.963 51.111 1.00 90.63 ? 23 ALA c O 1 ? ? +33248 ATOM N N . THR W 19 6 ? 5.602 18.825 49.076 1.00 88.09 ? 24 THR c N 1 ? ? +33249 ATOM C CA . THR W 19 6 ? 4.226 18.867 48.611 1.00 87.17 ? 24 THR c CA 1 ? ? +33250 ATOM C CB . THR W 19 6 ? 3.984 20.138 47.768 1.00 86.43 ? 24 THR c CB 1 ? ? +33251 ATOM O OG1 . THR W 19 6 ? 4.673 20.009 46.523 1.00 85.44 ? 24 THR c OG1 1 ? ? +33252 ATOM C CG2 . THR W 19 6 ? 4.428 21.407 48.484 1.00 86.83 ? 24 THR c CG2 1 ? ? +33253 ATOM C C . THR W 19 6 ? 3.881 17.612 47.813 1.00 86.05 ? 24 THR c C 1 ? ? +33254 ATOM O O . THR W 19 6 ? 4.740 16.766 47.561 1.00 86.11 ? 24 THR c O 1 ? ? +33255 ATOM N N . ASN W 19 7 ? 2.605 17.513 47.416 1.00 85.35 ? 25 ASN c N 1 ? ? +33256 ATOM C CA . ASN W 19 7 ? 2.150 16.458 46.525 1.00 83.86 ? 25 ASN c CA 1 ? ? +33257 ATOM C CB . ASN W 19 7 ? 0.692 16.083 46.847 1.00 84.21 ? 25 ASN c CB 1 ? ? +33258 ATOM C CG . ASN W 19 7 ? -0.328 17.181 46.589 1.00 84.41 ? 25 ASN c CG 1 ? ? +33259 ATOM O OD1 . ASN W 19 7 ? -0.030 18.311 46.167 1.00 84.46 ? 25 ASN c OD1 1 ? ? +33260 ATOM N ND2 . ASN W 19 7 ? -1.571 16.863 46.848 1.00 84.55 ? 25 ASN c ND2 1 ? ? +33261 ATOM C C . ASN W 19 7 ? 2.298 16.852 45.054 1.00 82.39 ? 25 ASN c C 1 ? ? +33262 ATOM O O . ASN W 19 7 ? 1.790 16.147 44.186 1.00 82.10 ? 25 ASN c O 1 ? ? +33263 ATOM N N . ARG W 19 8 ? 3.011 17.959 44.773 1.00 81.54 ? 26 ARG c N 1 ? ? +33264 ATOM C CA . ARG W 19 8 ? 3.124 18.510 43.430 1.00 80.04 ? 26 ARG c CA 1 ? ? +33265 ATOM C CB . ARG W 19 8 ? 2.888 20.021 43.446 1.00 80.12 ? 26 ARG c CB 1 ? ? +33266 ATOM C CG . ARG W 19 8 ? 1.634 20.394 44.192 1.00 80.93 ? 26 ARG c CG 1 ? ? +33267 ATOM C CD . ARG W 19 8 ? 1.183 21.808 43.909 1.00 81.03 ? 26 ARG c CD 1 ? ? +33268 ATOM N NE . ARG W 19 8 ? 2.041 22.799 44.543 1.00 81.65 ? 26 ARG c NE 1 ? ? +33269 ATOM C CZ . ARG W 19 8 ? 1.993 23.139 45.824 1.00 82.23 ? 26 ARG c CZ 1 ? ? +33270 ATOM N NH1 . ARG W 19 8 ? 1.163 22.548 46.668 1.00 82.62 ? 26 ARG c NH1 1 ? ? +33271 ATOM N NH2 . ARG W 19 8 ? 2.801 24.097 46.269 1.00 82.74 ? 26 ARG c NH2 1 ? ? +33272 ATOM C C . ARG W 19 8 ? 4.493 18.186 42.836 1.00 79.21 ? 26 ARG c C 1 ? ? +33273 ATOM O O . ARG W 19 8 ? 5.233 19.072 42.406 1.00 78.80 ? 26 ARG c O 1 ? ? +33274 ATOM N N . ASP W 19 9 ? 4.814 16.888 42.846 1.00 78.92 ? 27 ASP c N 1 ? ? +33275 ATOM C CA . ASP W 19 9 ? 6.054 16.357 42.303 1.00 78.94 ? 27 ASP c CA 1 ? ? +33276 ATOM C CB . ASP W 19 9 ? 7.182 16.412 43.354 1.00 80.42 ? 27 ASP c CB 1 ? ? +33277 ATOM C CG . ASP W 19 9 ? 6.858 15.795 44.697 1.00 81.56 ? 27 ASP c CG 1 ? ? +33278 ATOM O OD1 . ASP W 19 9 ? 6.575 14.583 44.740 1.00 82.28 ? 27 ASP c OD1 1 ? ? +33279 ATOM O OD2 . ASP W 19 9 ? 6.896 16.525 45.695 1.00 83.13 ? 27 ASP c OD2 1 ? ? +33280 ATOM C C . ASP W 19 9 ? 5.835 14.929 41.802 1.00 77.68 ? 27 ASP c C 1 ? ? +33281 ATOM O O . ASP W 19 9 ? 4.778 14.340 42.032 1.00 77.77 ? 27 ASP c O 1 ? ? +33282 ATOM N N . GLN W 19 10 ? 6.841 14.384 41.106 1.00 76.31 ? 28 GLN c N 1 ? ? +33283 ATOM C CA . GLN W 19 10 ? 6.747 13.056 40.523 1.00 75.38 ? 28 GLN c CA 1 ? ? +33284 ATOM C CB . GLN W 19 10 ? 7.888 12.817 39.529 1.00 74.43 ? 28 GLN c CB 1 ? ? +33285 ATOM C CG . GLN W 19 10 ? 7.819 11.443 38.875 1.00 73.89 ? 28 GLN c CG 1 ? ? +33286 ATOM C CD . GLN W 19 10 ? 8.692 11.360 37.670 1.00 73.37 ? 28 GLN c CD 1 ? ? +33287 ATOM O OE1 . GLN W 19 10 ? 9.464 12.263 37.401 1.00 73.79 ? 28 GLN c OE1 1 ? ? +33288 ATOM N NE2 . GLN W 19 10 ? 8.598 10.278 36.920 1.00 72.83 ? 28 GLN c NE2 1 ? ? +33289 ATOM C C . GLN W 19 10 ? 6.748 11.944 41.568 1.00 76.04 ? 28 GLN c C 1 ? ? +33290 ATOM O O . GLN W 19 10 ? 6.201 10.870 41.327 1.00 76.15 ? 28 GLN c O 1 ? ? +33291 ATOM N N . GLU W 19 11 ? 7.377 12.203 42.719 1.00 76.87 ? 29 GLU c N 1 ? ? +33292 ATOM C CA . GLU W 19 11 ? 7.526 11.203 43.762 1.00 77.46 ? 29 GLU c CA 1 ? ? +33293 ATOM C CB . GLU W 19 11 ? 8.627 11.664 44.765 1.00 78.61 ? 29 GLU c CB 1 ? ? +33294 ATOM C CG . GLU W 19 11 ? 8.594 11.061 46.156 1.00 79.77 ? 29 GLU c CG 1 ? ? +33295 ATOM C CD . GLU W 19 11 ? 7.849 11.859 47.211 1.00 81.08 ? 29 GLU c CD 1 ? ? +33296 ATOM O OE1 . GLU W 19 11 ? 7.649 13.088 47.055 1.00 82.38 ? 29 GLU c OE1 1 ? ? +33297 ATOM O OE2 . GLU W 19 11 ? 7.464 11.229 48.219 1.00 82.10 ? 29 GLU c OE2 1 ? ? +33298 ATOM C C . GLU W 19 11 ? 6.173 10.912 44.408 1.00 77.36 ? 29 GLU c C 1 ? ? +33299 ATOM O O . GLU W 19 11 ? 5.839 9.752 44.614 1.00 77.09 ? 29 GLU c O 1 ? ? +33300 ATOM N N . SER W 19 12 ? 5.400 11.963 44.703 1.00 77.65 ? 30 SER c N 1 ? ? +33301 ATOM C CA . SER W 19 12 ? 4.066 11.819 45.270 1.00 78.10 ? 30 SER c CA 1 ? ? +33302 ATOM C CB . SER W 19 12 ? 3.590 13.146 45.850 1.00 79.24 ? 30 SER c CB 1 ? ? +33303 ATOM O OG . SER W 19 12 ? 4.332 13.510 46.997 1.00 81.70 ? 30 SER c OG 1 ? ? +33304 ATOM C C . SER W 19 12 ? 3.005 11.324 44.286 1.00 76.65 ? 30 SER c C 1 ? ? +33305 ATOM O O . SER W 19 12 ? 2.130 10.554 44.667 1.00 77.21 ? 30 SER c O 1 ? ? +33306 ATOM N N . SER W 19 13 ? 3.075 11.788 43.033 1.00 75.05 ? 31 SER c N 1 ? ? +33307 ATOM C CA . SER W 19 13 ? 1.985 11.625 42.083 1.00 73.87 ? 31 SER c CA 1 ? ? +33308 ATOM C CB . SER W 19 13 ? 1.776 12.919 41.299 1.00 73.38 ? 31 SER c CB 1 ? ? +33309 ATOM O OG . SER W 19 13 ? 2.842 13.169 40.400 1.00 72.52 ? 31 SER c OG 1 ? ? +33310 ATOM C C . SER W 19 13 ? 2.161 10.476 41.092 1.00 72.58 ? 31 SER c C 1 ? ? +33311 ATOM O O . SER W 19 13 ? 1.176 9.939 40.591 1.00 72.39 ? 31 SER c O 1 ? ? +33312 ATOM N N . GLY W 19 14 ? 3.417 10.140 40.780 1.00 71.63 ? 32 GLY c N 1 ? ? +33313 ATOM C CA . GLY W 19 14 ? 3.719 9.123 39.788 1.00 70.24 ? 32 GLY c CA 1 ? ? +33314 ATOM C C . GLY W 19 14 ? 3.882 9.673 38.373 1.00 68.96 ? 32 GLY c C 1 ? ? +33315 ATOM O O . GLY W 19 14 ? 4.334 8.948 37.491 1.00 68.57 ? 32 GLY c O 1 ? ? +33316 ATOM N N . PHE W 19 15 ? 3.520 10.946 38.171 1.00 68.39 ? 33 PHE c N 1 ? ? +33317 ATOM C CA . PHE W 19 15 ? 3.564 11.580 36.866 1.00 67.35 ? 33 PHE c CA 1 ? ? +33318 ATOM C CB . PHE W 19 15 ? 2.254 12.317 36.559 1.00 67.19 ? 33 PHE c CB 1 ? ? +33319 ATOM C CG . PHE W 19 15 ? 1.117 11.406 36.218 1.00 66.77 ? 33 PHE c CG 1 ? ? +33320 ATOM C CD1 . PHE W 19 15 ? 1.069 10.764 34.994 1.00 65.90 ? 33 PHE c CD1 1 ? ? +33321 ATOM C CD2 . PHE W 19 15 ? 0.098 11.173 37.128 1.00 67.29 ? 33 PHE c CD2 1 ? ? +33322 ATOM C CE1 . PHE W 19 15 ? 0.012 9.912 34.679 1.00 65.73 ? 33 PHE c CE1 1 ? ? +33323 ATOM C CE2 . PHE W 19 15 ? -0.961 10.327 36.806 1.00 67.10 ? 33 PHE c CE2 1 ? ? +33324 ATOM C CZ . PHE W 19 15 ? -0.995 9.700 35.587 1.00 66.25 ? 33 PHE c CZ 1 ? ? +33325 ATOM C C . PHE W 19 15 ? 4.686 12.602 36.802 1.00 67.26 ? 33 PHE c C 1 ? ? +33326 ATOM O O . PHE W 19 15 ? 4.822 13.419 37.705 1.00 67.91 ? 33 PHE c O 1 ? ? +33327 ATOM N N . ALA W 19 16 ? 5.437 12.577 35.701 1.00 66.60 ? 34 ALA c N 1 ? ? +33328 ATOM C CA . ALA W 19 16 ? 6.521 13.520 35.499 1.00 66.70 ? 34 ALA c CA 1 ? ? +33329 ATOM C CB . ALA W 19 16 ? 7.458 13.017 34.405 1.00 66.12 ? 34 ALA c CB 1 ? ? +33330 ATOM C C . ALA W 19 16 ? 5.968 14.899 35.146 1.00 66.61 ? 34 ALA c C 1 ? ? +33331 ATOM O O . ALA W 19 16 ? 4.811 15.031 34.765 1.00 66.53 ? 34 ALA c O 1 ? ? +33332 ATOM N N . TRP W 19 17 ? 6.816 15.922 35.267 1.00 66.64 ? 35 TRP c N 1 ? ? +33333 ATOM C CA . TRP W 19 17 ? 6.400 17.295 35.036 1.00 66.59 ? 35 TRP c CA 1 ? ? +33334 ATOM C CB . TRP W 19 17 ? 7.590 18.250 35.210 1.00 66.88 ? 35 TRP c CB 1 ? ? +33335 ATOM C CG . TRP W 19 17 ? 8.646 18.107 34.159 1.00 66.21 ? 35 TRP c CG 1 ? ? +33336 ATOM C CD1 . TRP W 19 17 ? 9.721 17.274 34.188 1.00 66.11 ? 35 TRP c CD1 1 ? ? +33337 ATOM N NE1 . TRP W 19 17 ? 10.453 17.408 33.036 1.00 65.54 ? 35 TRP c NE1 1 ? ? +33338 ATOM C CE2 . TRP W 19 17 ? 9.852 18.336 32.230 1.00 65.29 ? 35 TRP c CE2 1 ? ? +33339 ATOM C CZ2 . TRP W 19 17 ? 10.215 18.806 30.969 1.00 64.79 ? 35 TRP c CZ2 1 ? ? +33340 ATOM C CH2 . TRP W 19 17 ? 9.402 19.745 30.388 1.00 64.68 ? 35 TRP c CH2 1 ? ? +33341 ATOM C CZ3 . TRP W 19 17 ? 8.249 20.213 31.029 1.00 65.11 ? 35 TRP c CZ3 1 ? ? +33342 ATOM C CE3 . TRP W 19 17 ? 7.885 19.745 32.280 1.00 65.61 ? 35 TRP c CE3 1 ? ? +33343 ATOM C CD2 . TRP W 19 17 ? 8.700 18.790 32.904 1.00 65.71 ? 35 TRP c CD2 1 ? ? +33344 ATOM C C . TRP W 19 17 ? 5.766 17.556 33.671 1.00 65.77 ? 35 TRP c C 1 ? ? +33345 ATOM O O . TRP W 19 17 ? 4.880 18.391 33.559 1.00 65.78 ? 35 TRP c O 1 ? ? +33346 ATOM N N A TRP W 19 18 ? 6.239 16.846 32.640 0.40 65.08 ? 36 TRP c N 1 ? ? +33347 ATOM N N B TRP W 19 18 ? 6.240 16.845 32.641 0.60 65.14 ? 36 TRP c N 1 ? ? +33348 ATOM C CA A TRP W 19 18 ? 5.738 17.029 31.287 0.40 64.41 ? 36 TRP c CA 1 ? ? +33349 ATOM C CA B TRP W 19 18 ? 5.739 17.027 31.287 0.60 64.52 ? 36 TRP c CA 1 ? ? +33350 ATOM C C A TRP W 19 18 ? 4.348 16.423 31.092 0.40 64.20 ? 36 TRP c C 1 ? ? +33351 ATOM C C B TRP W 19 18 ? 4.352 16.418 31.088 0.60 64.28 ? 36 TRP c C 1 ? ? +33352 ATOM O O A TRP W 19 18 ? 3.710 16.656 30.068 0.40 63.80 ? 36 TRP c O 1 ? ? +33353 ATOM O O B TRP W 19 18 ? 3.731 16.633 30.048 0.60 63.87 ? 36 TRP c O 1 ? ? +33354 ATOM C CB A TRP W 19 18 ? 6.739 16.470 30.262 0.40 63.79 ? 36 TRP c CB 1 ? ? +33355 ATOM C CB B TRP W 19 18 ? 6.728 16.483 30.234 0.60 63.97 ? 36 TRP c CB 1 ? ? +33356 ATOM C CG A TRP W 19 18 ? 7.296 15.119 30.593 0.40 63.75 ? 36 TRP c CG 1 ? ? +33357 ATOM C CG B TRP W 19 18 ? 7.315 15.130 30.512 0.60 64.01 ? 36 TRP c CG 1 ? ? +33358 ATOM C CD1 A TRP W 19 18 ? 8.522 14.852 31.120 0.40 64.00 ? 36 TRP c CD1 1 ? ? +33359 ATOM C CD1 B TRP W 19 18 ? 8.569 14.870 30.975 0.60 64.25 ? 36 TRP c CD1 1 ? ? +33360 ATOM C CD2 A TRP W 19 18 ? 6.667 13.849 30.377 0.40 63.43 ? 36 TRP c CD2 1 ? ? +33361 ATOM C CD2 B TRP W 19 18 ? 6.697 13.852 30.289 0.60 63.74 ? 36 TRP c CD2 1 ? ? +33362 ATOM N NE1 A TRP W 19 18 ? 8.690 13.497 31.268 0.40 63.87 ? 36 TRP c NE1 1 ? ? +33363 ATOM N NE1 B TRP W 19 18 ? 8.762 13.513 31.084 0.60 64.13 ? 36 TRP c NE1 1 ? ? +33364 ATOM C CE2 A TRP W 19 18 ? 7.568 12.856 30.814 0.40 63.49 ? 36 TRP c CE2 1 ? ? +33365 ATOM C CE2 B TRP W 19 18 ? 7.632 12.864 30.665 0.60 63.76 ? 36 TRP c CE2 1 ? ? +33366 ATOM C CE3 A TRP W 19 18 ? 5.429 13.452 29.858 0.40 63.08 ? 36 TRP c CE3 1 ? ? +33367 ATOM C CE3 B TRP W 19 18 ? 5.443 13.444 29.813 0.60 63.43 ? 36 TRP c CE3 1 ? ? +33368 ATOM C CZ2 A TRP W 19 18 ? 7.266 11.498 30.759 0.40 63.25 ? 36 TRP c CZ2 1 ? ? +33369 ATOM C CZ2 B TRP W 19 18 ? 7.349 11.500 30.591 0.60 63.54 ? 36 TRP c CZ2 1 ? ? +33370 ATOM C CZ3 A TRP W 19 18 ? 5.135 12.103 29.799 0.40 62.84 ? 36 TRP c CZ3 1 ? ? +33371 ATOM C CZ3 B TRP W 19 18 ? 5.166 12.090 29.737 0.60 63.20 ? 36 TRP c CZ3 1 ? ? +33372 ATOM C CH2 A TRP W 19 18 ? 6.045 11.144 30.248 0.40 62.94 ? 36 TRP c CH2 1 ? ? +33373 ATOM C CH2 B TRP W 19 18 ? 6.110 11.136 30.126 0.60 63.26 ? 36 TRP c CH2 1 ? ? +33374 ATOM N N . ALA W 19 19 ? 3.889 15.649 32.083 1.00 64.57 ? 37 ALA c N 1 ? ? +33375 ATOM C CA . ALA W 19 19 ? 2.506 15.197 32.152 1.00 64.38 ? 37 ALA c CA 1 ? ? +33376 ATOM C CB . ALA W 19 19 ? 2.418 13.685 32.023 1.00 64.09 ? 37 ALA c CB 1 ? ? +33377 ATOM C C . ALA W 19 19 ? 1.929 15.666 33.482 1.00 64.98 ? 37 ALA c C 1 ? ? +33378 ATOM O O . ALA W 19 19 ? 1.159 14.957 34.133 1.00 65.24 ? 37 ALA c O 1 ? ? +33379 ATOM N N . GLY W 19 20 ? 2.316 16.883 33.870 1.00 65.23 ? 38 GLY c N 1 ? ? +33380 ATOM C CA . GLY W 19 20 ? 1.980 17.435 35.170 1.00 66.00 ? 38 GLY c CA 1 ? ? +33381 ATOM C C . GLY W 19 20 ? 0.485 17.581 35.445 1.00 66.21 ? 38 GLY c C 1 ? ? +33382 ATOM O O . GLY W 19 20 ? 0.035 17.410 36.576 1.00 66.84 ? 38 GLY c O 1 ? ? +33383 ATOM N N . ASN W 19 21 ? -0.284 17.898 34.403 1.00 65.65 ? 39 ASN c N 1 ? ? +33384 ATOM C CA . ASN W 19 21 ? -1.703 18.151 34.576 1.00 65.87 ? 39 ASN c CA 1 ? ? +33385 ATOM C CB . ASN W 19 21 ? -2.250 18.888 33.361 1.00 65.44 ? 39 ASN c CB 1 ? ? +33386 ATOM C CG . ASN W 19 21 ? -1.752 20.315 33.283 1.00 65.65 ? 39 ASN c CG 1 ? ? +33387 ATOM O OD1 . ASN W 19 21 ? -1.359 20.895 34.273 1.00 66.34 ? 39 ASN c OD1 1 ? ? +33388 ATOM N ND2 . ASN W 19 21 ? -1.778 20.928 32.113 1.00 65.24 ? 39 ASN c ND2 1 ? ? +33389 ATOM C C . ASN W 19 21 ? -2.482 16.868 34.866 1.00 65.87 ? 39 ASN c C 1 ? ? +33390 ATOM O O . ASN W 19 21 ? -3.626 16.933 35.306 1.00 66.20 ? 39 ASN c O 1 ? ? +33391 ATOM N N . ALA W 19 22 ? -1.846 15.708 34.650 1.00 65.49 ? 40 ALA c N 1 ? ? +33392 ATOM C CA . ALA W 19 22 ? -2.442 14.430 35.009 1.00 65.55 ? 40 ALA c CA 1 ? ? +33393 ATOM C CB . ALA W 19 22 ? -1.715 13.295 34.324 1.00 64.90 ? 40 ALA c CB 1 ? ? +33394 ATOM C C . ALA W 19 22 ? -2.441 14.217 36.519 1.00 66.49 ? 40 ALA c C 1 ? ? +33395 ATOM O O . ALA W 19 22 ? -3.137 13.336 37.025 1.00 66.84 ? 40 ALA c O 1 ? ? +33396 ATOM N N . ARG W 19 23 ? -1.661 15.043 37.229 1.00 67.03 ? 41 ARG c N 1 ? ? +33397 ATOM C CA . ARG W 19 23 ? -1.643 15.031 38.684 1.00 67.92 ? 41 ARG c CA 1 ? ? +33398 ATOM C CB . ARG W 19 23 ? -0.501 15.901 39.219 1.00 68.34 ? 41 ARG c CB 1 ? ? +33399 ATOM C CG . ARG W 19 23 ? 0.863 15.438 38.788 1.00 67.97 ? 41 ARG c CG 1 ? ? +33400 ATOM C CD . ARG W 19 23 ? 1.939 16.434 39.156 1.00 68.31 ? 41 ARG c CD 1 ? ? +33401 ATOM N NE . ARG W 19 23 ? 3.249 15.952 38.733 1.00 67.93 ? 41 ARG c NE 1 ? ? +33402 ATOM C CZ . ARG W 19 23 ? 4.381 16.631 38.851 1.00 68.06 ? 41 ARG c CZ 1 ? ? +33403 ATOM N NH1 . ARG W 19 23 ? 4.408 17.863 39.335 1.00 68.53 ? 41 ARG c NH1 1 ? ? +33404 ATOM N NH2 . ARG W 19 23 ? 5.520 16.052 38.485 1.00 67.82 ? 41 ARG c NH2 1 ? ? +33405 ATOM C C . ARG W 19 23 ? -2.945 15.543 39.286 1.00 68.41 ? 41 ARG c C 1 ? ? +33406 ATOM O O . ARG W 19 23 ? -3.163 15.374 40.481 1.00 69.13 ? 41 ARG c O 1 ? ? +33407 ATOM N N . LEU W 19 24 ? -3.779 16.176 38.448 1.00 68.23 ? 42 LEU c N 1 ? ? +33408 ATOM C CA . LEU W 19 24 ? -5.014 16.812 38.881 1.00 68.80 ? 42 LEU c CA 1 ? ? +33409 ATOM C CB . LEU W 19 24 ? -5.275 18.063 38.017 1.00 68.62 ? 42 LEU c CB 1 ? ? +33410 ATOM C CG . LEU W 19 24 ? -4.222 19.163 38.104 1.00 68.73 ? 42 LEU c CG 1 ? ? +33411 ATOM C CD1 . LEU W 19 24 ? -4.401 20.190 37.006 1.00 68.41 ? 42 LEU c CD1 1 ? ? +33412 ATOM C CD2 . LEU W 19 24 ? -4.283 19.847 39.447 1.00 69.62 ? 42 LEU c CD2 1 ? ? +33413 ATOM C C . LEU W 19 24 ? -6.246 15.923 38.773 1.00 68.74 ? 42 LEU c C 1 ? ? +33414 ATOM O O . LEU W 19 24 ? -7.330 16.355 39.127 1.00 69.28 ? 42 LEU c O 1 ? ? +33415 ATOM N N . ILE W 19 25 ? -6.079 14.692 38.280 1.00 68.27 ? 43 ILE c N 1 ? ? +33416 ATOM C CA . ILE W 19 25 ? -7.222 13.868 37.928 1.00 68.20 ? 43 ILE c CA 1 ? ? +33417 ATOM C CB . ILE W 19 25 ? -6.773 12.523 37.318 1.00 67.54 ? 43 ILE c CB 1 ? ? +33418 ATOM C CG1 . ILE W 19 25 ? -6.071 12.760 35.962 1.00 66.69 ? 43 ILE c CG1 1 ? ? +33419 ATOM C CG2 . ILE W 19 25 ? -7.950 11.553 37.176 1.00 67.52 ? 43 ILE c CG2 1 ? ? +33420 ATOM C CD1 . ILE W 19 25 ? -5.354 11.553 35.394 1.00 66.08 ? 43 ILE c CD1 1 ? ? +33421 ATOM C C . ILE W 19 25 ? -8.159 13.694 39.121 1.00 69.17 ? 43 ILE c C 1 ? ? +33422 ATOM O O . ILE W 19 25 ? -9.362 13.831 38.959 1.00 69.41 ? 43 ILE c O 1 ? ? +33423 ATOM N N . ASN W 19 26 ? -7.605 13.431 40.312 1.00 69.88 ? 44 ASN c N 1 ? ? +33424 ATOM C CA . ASN W 19 26 ? -8.403 13.214 41.510 1.00 70.81 ? 44 ASN c CA 1 ? ? +33425 ATOM C CB . ASN W 19 26 ? -8.004 11.907 42.191 1.00 71.20 ? 44 ASN c CB 1 ? ? +33426 ATOM C CG . ASN W 19 26 ? -8.023 10.732 41.253 1.00 70.80 ? 44 ASN c CG 1 ? ? +33427 ATOM O OD1 . ASN W 19 26 ? -7.009 10.029 41.072 1.00 70.75 ? 44 ASN c OD1 1 ? ? +33428 ATOM N ND2 . ASN W 19 26 ? -9.159 10.495 40.611 1.00 70.66 ? 44 ASN c ND2 1 ? ? +33429 ATOM C C . ASN W 19 26 ? -8.303 14.346 42.528 1.00 71.54 ? 44 ASN c C 1 ? ? +33430 ATOM O O . ASN W 19 26 ? -8.484 14.112 43.719 1.00 72.33 ? 44 ASN c O 1 ? ? +33431 ATOM N N . LEU W 19 27 ? -8.037 15.569 42.052 1.00 71.40 ? 45 LEU c N 1 ? ? +33432 ATOM C CA . LEU W 19 27 ? -8.045 16.753 42.899 1.00 72.16 ? 45 LEU c CA 1 ? ? +33433 ATOM C CB . LEU W 19 27 ? -6.657 17.417 42.934 1.00 72.14 ? 45 LEU c CB 1 ? ? +33434 ATOM C CG . LEU W 19 27 ? -5.459 16.541 43.295 1.00 72.09 ? 45 LEU c CG 1 ? ? +33435 ATOM C CD1 . LEU W 19 27 ? -4.216 17.411 43.479 1.00 72.25 ? 45 LEU c CD1 1 ? ? +33436 ATOM C CD2 . LEU W 19 27 ? -5.696 15.704 44.546 1.00 72.73 ? 45 LEU c CD2 1 ? ? +33437 ATOM C C . LEU W 19 27 ? -9.081 17.729 42.347 1.00 72.16 ? 45 LEU c C 1 ? ? +33438 ATOM O O . LEU W 19 27 ? -8.736 18.684 41.653 1.00 71.89 ? 45 LEU c O 1 ? ? +33439 ATOM N N . SER W 19 28 ? -10.356 17.465 42.646 1.00 72.48 ? 46 SER c N 1 ? ? +33440 ATOM C CA . SER W 19 28 ? -11.456 18.178 42.015 1.00 72.44 ? 46 SER c CA 1 ? ? +33441 ATOM C CB . SER W 19 28 ? -12.785 17.664 42.568 1.00 73.01 ? 46 SER c CB 1 ? ? +33442 ATOM O OG . SER W 19 28 ? -12.663 17.347 43.943 1.00 73.77 ? 46 SER c OG 1 ? ? +33443 ATOM C C . SER W 19 28 ? -11.351 19.698 42.165 1.00 72.73 ? 46 SER c C 1 ? ? +33444 ATOM O O . SER W 19 28 ? -11.676 20.440 41.237 1.00 72.43 ? 46 SER c O 1 ? ? +33445 ATOM N N . GLY W 19 29 ? -10.885 20.149 43.335 1.00 73.31 ? 47 GLY c N 1 ? ? +33446 ATOM C CA . GLY W 19 29 ? -10.785 21.566 43.641 1.00 73.70 ? 47 GLY c CA 1 ? ? +33447 ATOM C C . GLY W 19 29 ? -9.786 22.303 42.749 1.00 73.09 ? 47 GLY c C 1 ? ? +33448 ATOM O O . GLY W 19 29 ? -10.138 23.299 42.121 1.00 73.12 ? 47 GLY c O 1 ? ? +33449 ATOM N N . LYS W 19 30 ? -8.543 21.805 42.701 1.00 72.63 ? 48 LYS c N 1 ? ? +33450 ATOM C CA . LYS W 19 30 ? -7.523 22.345 41.814 1.00 71.96 ? 48 LYS c CA 1 ? ? +33451 ATOM C CB . LYS W 19 30 ? -6.163 21.639 42.024 1.00 71.98 ? 48 LYS c CB 1 ? ? +33452 ATOM C CG . LYS W 19 30 ? -5.522 21.833 43.378 1.00 73.01 ? 48 LYS c CG 1 ? ? +33453 ATOM C CD . LYS W 19 30 ? -4.483 22.933 43.423 1.00 73.30 ? 48 LYS c CD 1 ? ? +33454 ATOM C CE . LYS W 19 30 ? -4.302 23.518 44.824 1.00 74.51 ? 48 LYS c CE 1 ? ? +33455 ATOM N NZ . LYS W 19 30 ? -3.179 22.889 45.550 1.00 74.85 ? 48 LYS c NZ 1 ? ? +33456 ATOM C C . LYS W 19 30 ? -7.916 22.192 40.344 1.00 70.86 ? 48 LYS c C 1 ? ? +33457 ATOM O O . LYS W 19 30 ? -7.660 23.079 39.530 1.00 70.42 ? 48 LYS c O 1 ? ? +33458 ATOM N N . LEU W 19 31 ? -8.528 21.047 40.007 1.00 70.30 ? 49 LEU c N 1 ? ? +33459 ATOM C CA . LEU W 19 31 ? -8.971 20.786 38.647 1.00 69.33 ? 49 LEU c CA 1 ? ? +33460 ATOM C CB . LEU W 19 31 ? -9.497 19.352 38.521 1.00 69.01 ? 49 LEU c CB 1 ? ? +33461 ATOM C CG . LEU W 19 31 ? -9.903 18.909 37.120 1.00 68.16 ? 49 LEU c CG 1 ? ? +33462 ATOM C CD1 . LEU W 19 31 ? -8.804 19.111 36.145 1.00 67.42 ? 49 LEU c CD1 1 ? ? +33463 ATOM C CD2 . LEU W 19 31 ? -10.317 17.452 37.112 1.00 67.97 ? 49 LEU c CD2 1 ? ? +33464 ATOM C C . LEU W 19 31 ? -10.040 21.790 38.223 1.00 69.42 ? 49 LEU c C 1 ? ? +33465 ATOM O O . LEU W 19 31 ? -10.012 22.269 37.096 1.00 68.83 ? 49 LEU c O 1 ? ? +33466 ATOM N N . LEU W 19 32 ? -10.973 22.103 39.131 1.00 70.14 ? 50 LEU c N 1 ? ? +33467 ATOM C CA . LEU W 19 32 ? -11.961 23.139 38.884 1.00 70.42 ? 50 LEU c CA 1 ? ? +33468 ATOM C CB . LEU W 19 32 ? -12.895 23.302 40.090 1.00 71.40 ? 50 LEU c CB 1 ? ? +33469 ATOM C CG . LEU W 19 32 ? -13.845 24.493 40.031 1.00 71.90 ? 50 LEU c CG 1 ? ? +33470 ATOM C CD1 . LEU W 19 32 ? -14.834 24.354 38.900 1.00 71.50 ? 50 LEU c CD1 1 ? ? +33471 ATOM C CD2 . LEU W 19 32 ? -14.567 24.665 41.336 1.00 72.89 ? 50 LEU c CD2 1 ? ? +33472 ATOM C C . LEU W 19 32 ? -11.270 24.465 38.584 1.00 70.36 ? 50 LEU c C 1 ? ? +33473 ATOM O O . LEU W 19 32 ? -11.649 25.173 37.661 1.00 70.04 ? 50 LEU c O 1 ? ? +33474 ATOM N N . GLY W 19 33 ? -10.259 24.798 39.388 1.00 70.77 ? 51 GLY c N 1 ? ? +33475 ATOM C CA . GLY W 19 33 ? -9.457 25.991 39.171 1.00 70.80 ? 51 GLY c CA 1 ? ? +33476 ATOM C C . GLY W 19 33 ? -8.808 26.054 37.792 1.00 69.91 ? 51 GLY c C 1 ? ? +33477 ATOM O O . GLY W 19 33 ? -8.885 27.073 37.112 1.00 69.90 ? 51 GLY c O 1 ? ? +33478 ATOM N N . ALA W 19 34 ? -8.175 24.952 37.382 1.00 69.25 ? 52 ALA c N 1 ? ? +33479 ATOM C CA . ALA W 19 34 ? -7.571 24.872 36.061 1.00 68.38 ? 52 ALA c CA 1 ? ? +33480 ATOM C CB . ALA W 19 34 ? -6.935 23.508 35.851 1.00 67.84 ? 52 ALA c CB 1 ? ? +33481 ATOM C C . ALA W 19 34 ? -8.582 25.159 34.952 1.00 67.95 ? 52 ALA c C 1 ? ? +33482 ATOM O O . ALA W 19 34 ? -8.268 25.861 33.999 1.00 67.64 ? 52 ALA c O 1 ? ? +33483 ATOM N N . HIS W 19 35 ? -9.797 24.619 35.087 1.00 68.05 ? 53 HIS c N 1 ? ? +33484 ATOM C CA . HIS W 19 35 ? -10.841 24.803 34.088 1.00 67.72 ? 53 HIS c CA 1 ? ? +33485 ATOM C CB . HIS W 19 35 ? -12.007 23.850 34.356 1.00 67.90 ? 53 HIS c CB 1 ? ? +33486 ATOM C CG . HIS W 19 35 ? -11.706 22.424 34.018 1.00 67.29 ? 53 HIS c CG 1 ? ? +33487 ATOM N ND1 . HIS W 19 35 ? -11.489 22.022 32.728 1.00 66.42 ? 53 HIS c ND1 1 ? ? +33488 ATOM C CE1 . HIS W 19 35 ? -11.251 20.727 32.794 1.00 66.15 ? 53 HIS c CE1 1 ? ? +33489 ATOM N NE2 . HIS W 19 35 ? -11.298 20.286 34.040 1.00 66.75 ? 53 HIS c NE2 1 ? ? +33490 ATOM C CD2 . HIS W 19 35 ? -11.591 21.355 34.830 1.00 67.46 ? 53 HIS c CD2 1 ? ? +33491 ATOM C C . HIS W 19 35 ? -11.369 26.233 34.019 1.00 68.05 ? 53 HIS c C 1 ? ? +33492 ATOM O O . HIS W 19 35 ? -11.611 26.753 32.934 1.00 67.56 ? 53 HIS c O 1 ? ? +33493 ATOM N N . VAL W 19 36 ? -11.548 26.856 35.187 1.00 68.91 ? 54 VAL c N 1 ? ? +33494 ATOM C CA . VAL W 19 36 ? -12.108 28.196 35.262 1.00 69.44 ? 54 VAL c CA 1 ? ? +33495 ATOM C CB . VAL W 19 36 ? -12.648 28.476 36.680 1.00 70.34 ? 54 VAL c CB 1 ? ? +33496 ATOM C CG1 . VAL W 19 36 ? -13.001 29.937 36.877 1.00 70.92 ? 54 VAL c CG1 1 ? ? +33497 ATOM C CG2 . VAL W 19 36 ? -13.847 27.591 36.979 1.00 70.55 ? 54 VAL c CG2 1 ? ? +33498 ATOM C C . VAL W 19 36 ? -11.075 29.223 34.797 1.00 69.23 ? 54 VAL c C 1 ? ? +33499 ATOM O O . VAL W 19 36 ? -11.420 30.163 34.089 1.00 69.18 ? 54 VAL c O 1 ? ? +33500 ATOM N N . ALA W 19 37 ? -9.812 29.032 35.194 1.00 69.10 ? 55 ALA c N 1 ? ? +33501 ATOM C CA . ALA W 19 37 ? -8.726 29.882 34.733 1.00 68.89 ? 55 ALA c CA 1 ? ? +33502 ATOM C CB . ALA W 19 37 ? -7.421 29.498 35.407 1.00 68.91 ? 55 ALA c CB 1 ? ? +33503 ATOM C C . ALA W 19 37 ? -8.572 29.797 33.218 1.00 68.01 ? 55 ALA c C 1 ? ? +33504 ATOM O O . ALA W 19 37 ? -8.307 30.801 32.561 1.00 67.97 ? 55 ALA c O 1 ? ? +33505 ATOM N N . HIS W 19 38 ? -8.742 28.584 32.681 1.00 67.34 ? 56 HIS c N 1 ? ? +33506 ATOM C CA . HIS W 19 38 ? -8.657 28.345 31.251 1.00 66.47 ? 56 HIS c CA 1 ? ? +33507 ATOM C CB . HIS W 19 38 ? -8.618 26.848 30.974 1.00 65.93 ? 56 HIS c CB 1 ? ? +33508 ATOM C CG . HIS W 19 38 ? -8.588 26.521 29.517 1.00 65.17 ? 56 HIS c CG 1 ? ? +33509 ATOM N ND1 . HIS W 19 38 ? -7.434 26.606 28.794 1.00 64.77 ? 56 HIS c ND1 1 ? ? +33510 ATOM C CE1 . HIS W 19 38 ? -7.754 26.277 27.559 1.00 64.15 ? 56 HIS c CE1 1 ? ? +33511 ATOM N NE2 . HIS W 19 38 ? -9.036 25.982 27.457 1.00 64.24 ? 56 HIS c NE2 1 ? ? +33512 ATOM C CD2 . HIS W 19 38 ? -9.583 26.137 28.703 1.00 64.95 ? 56 HIS c CD2 1 ? ? +33513 ATOM C C . HIS W 19 38 ? -9.817 28.981 30.491 1.00 66.49 ? 56 HIS c C 1 ? ? +33514 ATOM O O . HIS W 19 38 ? -9.606 29.578 29.441 1.00 66.21 ? 56 HIS c O 1 ? ? +33515 ATOM N N . ALA W 19 39 ? -11.041 28.838 31.021 1.00 66.91 ? 57 ALA c N 1 ? ? +33516 ATOM C CA . ALA W 19 39 ? -12.201 29.518 30.465 1.00 67.02 ? 57 ALA c CA 1 ? ? +33517 ATOM C CB . ALA W 19 39 ? -13.441 29.223 31.297 1.00 67.59 ? 57 ALA c CB 1 ? ? +33518 ATOM C C . ALA W 19 39 ? -11.938 31.021 30.401 1.00 67.35 ? 57 ALA c C 1 ? ? +33519 ATOM O O . ALA W 19 39 ? -12.300 31.677 29.433 1.00 67.21 ? 57 ALA c O 1 ? ? +33520 ATOM N N . GLY W 19 40 ? -11.290 31.552 31.442 1.00 67.89 ? 58 GLY c N 1 ? ? +33521 ATOM C CA . GLY W 19 40 ? -10.878 32.943 31.478 1.00 68.24 ? 58 GLY c CA 1 ? ? +33522 ATOM C C . GLY W 19 40 ? -10.001 33.335 30.294 1.00 67.69 ? 58 GLY c C 1 ? ? +33523 ATOM O O . GLY W 19 40 ? -10.203 34.396 29.713 1.00 67.83 ? 58 GLY c O 1 ? ? +33524 ATOM N N . LEU W 19 41 ? -9.028 32.479 29.949 1.00 67.12 ? 59 LEU c N 1 ? ? +33525 ATOM C CA . LEU W 19 41 ? -8.164 32.721 28.803 1.00 66.60 ? 59 LEU c CA 1 ? ? +33526 ATOM C CB . LEU W 19 41 ? -7.121 31.617 28.686 1.00 66.04 ? 59 LEU c CB 1 ? ? +33527 ATOM C CG . LEU W 19 41 ? -6.007 31.631 29.694 1.00 66.34 ? 59 LEU c CG 1 ? ? +33528 ATOM C CD1 . LEU W 19 41 ? -5.172 30.376 29.557 1.00 65.79 ? 59 LEU c CD1 1 ? ? +33529 ATOM C CD2 . LEU W 19 41 ? -5.146 32.854 29.527 1.00 66.50 ? 59 LEU c CD2 1 ? ? +33530 ATOM C C . LEU W 19 41 ? -8.932 32.789 27.484 1.00 66.31 ? 59 LEU c C 1 ? ? +33531 ATOM O O . LEU W 19 41 ? -8.626 33.612 26.622 1.00 66.24 ? 59 LEU c O 1 ? ? +33532 ATOM N N . ILE W 19 42 ? -9.916 31.897 27.321 1.00 66.20 ? 60 ILE c N 1 ? ? +33533 ATOM C CA . ILE W 19 42 ? -10.729 31.881 26.119 1.00 65.85 ? 60 ILE c CA 1 ? ? +33534 ATOM C CB . ILE W 19 42 ? -11.746 30.707 26.107 1.00 65.72 ? 60 ILE c CB 1 ? ? +33535 ATOM C CG1 . ILE W 19 42 ? -11.047 29.345 26.086 1.00 65.10 ? 60 ILE c CG1 1 ? ? +33536 ATOM C CG2 . ILE W 19 42 ? -12.723 30.828 24.926 1.00 65.55 ? 60 ILE c CG2 1 ? ? +33537 ATOM C CD1 . ILE W 19 42 ? -11.967 28.184 26.394 1.00 65.12 ? 60 ILE c CD1 1 ? ? +33538 ATOM C C . ILE W 19 42 ? -11.419 33.234 26.008 1.00 66.40 ? 60 ILE c C 1 ? ? +33539 ATOM O O . ILE W 19 42 ? -11.321 33.895 24.979 1.00 66.24 ? 60 ILE c O 1 ? ? +33540 ATOM N N . VAL W 19 43 ? -12.101 33.631 27.086 1.00 67.21 ? 61 VAL c N 1 ? ? +33541 ATOM C CA . VAL W 19 43 ? -12.898 34.848 27.106 1.00 67.82 ? 61 VAL c CA 1 ? ? +33542 ATOM C CB . VAL W 19 43 ? -13.769 34.878 28.382 1.00 68.58 ? 61 VAL c CB 1 ? ? +33543 ATOM C CG1 . VAL W 19 43 ? -14.476 36.210 28.532 1.00 69.37 ? 61 VAL c CG1 1 ? ? +33544 ATOM C CG2 . VAL W 19 43 ? -14.770 33.729 28.391 1.00 68.44 ? 61 VAL c CG2 1 ? ? +33545 ATOM C C . VAL W 19 43 ? -12.001 36.078 26.979 1.00 68.01 ? 61 VAL c C 1 ? ? +33546 ATOM O O . VAL W 19 43 ? -12.363 37.050 26.325 1.00 68.05 ? 61 VAL c O 1 ? ? +33547 ATOM N N . PHE W 19 44 ? -10.820 36.011 27.604 1.00 68.18 ? 62 PHE c N 1 ? ? +33548 ATOM C CA . PHE W 19 44 ? -9.807 37.042 27.462 1.00 68.37 ? 62 PHE c CA 1 ? ? +33549 ATOM C CB . PHE W 19 44 ? -8.506 36.638 28.170 1.00 68.35 ? 62 PHE c CB 1 ? ? +33550 ATOM C CG . PHE W 19 44 ? -7.470 37.730 28.140 1.00 68.73 ? 62 PHE c CG 1 ? ? +33551 ATOM C CD1 . PHE W 19 44 ? -6.713 37.962 27.003 1.00 68.36 ? 62 PHE c CD1 1 ? ? +33552 ATOM C CD2 . PHE W 19 44 ? -7.279 38.552 29.229 1.00 69.60 ? 62 PHE c CD2 1 ? ? +33553 ATOM C CE1 . PHE W 19 44 ? -5.777 38.987 26.970 1.00 68.63 ? 62 PHE c CE1 1 ? ? +33554 ATOM C CE2 . PHE W 19 44 ? -6.350 39.575 29.188 1.00 69.94 ? 62 PHE c CE2 1 ? ? +33555 ATOM C CZ . PHE W 19 44 ? -5.603 39.785 28.060 1.00 69.42 ? 62 PHE c CZ 1 ? ? +33556 ATOM C C . PHE W 19 44 ? -9.519 37.314 25.991 1.00 67.84 ? 62 PHE c C 1 ? ? +33557 ATOM O O . PHE W 19 44 ? -9.643 38.445 25.531 1.00 68.12 ? 62 PHE c O 1 ? ? +33558 ATOM N N . TRP W 19 45 ? -9.127 36.257 25.269 1.00 67.14 ? 63 TRP c N 1 ? ? +33559 ATOM C CA . TRP W 19 45 ? -8.748 36.370 23.870 1.00 66.50 ? 63 TRP c CA 1 ? ? +33560 ATOM C CB . TRP W 19 45 ? -8.382 35.004 23.298 1.00 65.67 ? 63 TRP c CB 1 ? ? +33561 ATOM C CG . TRP W 19 45 ? -7.980 35.058 21.861 1.00 64.96 ? 63 TRP c CG 1 ? ? +33562 ATOM C CD1 . TRP W 19 45 ? -6.762 35.405 21.359 1.00 64.69 ? 63 TRP c CD1 1 ? ? +33563 ATOM N NE1 . TRP W 19 45 ? -6.786 35.361 19.987 1.00 64.14 ? 63 TRP c NE1 1 ? ? +33564 ATOM C CE2 . TRP W 19 45 ? -8.037 34.987 19.577 1.00 64.07 ? 63 TRP c CE2 1 ? ? +33565 ATOM C CZ2 . TRP W 19 45 ? -8.551 34.801 18.295 1.00 63.61 ? 63 TRP c CZ2 1 ? ? +33566 ATOM C CH2 . TRP W 19 45 ? -9.869 34.430 18.193 1.00 63.66 ? 63 TRP c CH2 1 ? ? +33567 ATOM C CZ3 . TRP W 19 45 ? -10.664 34.231 19.324 1.00 64.11 ? 63 TRP c CZ3 1 ? ? +33568 ATOM C CE3 . TRP W 19 45 ? -10.157 34.413 20.596 1.00 64.54 ? 63 TRP c CE3 1 ? ? +33569 ATOM C CD2 . TRP W 19 45 ? -8.819 34.798 20.737 1.00 64.55 ? 63 TRP c CD2 1 ? ? +33570 ATOM C C . TRP W 19 45 ? -9.861 36.982 23.025 1.00 66.68 ? 63 TRP c C 1 ? ? +33571 ATOM O O . TRP W 19 45 ? -9.600 37.885 22.235 1.00 66.65 ? 63 TRP c O 1 ? ? +33572 ATOM N N . ALA W 19 46 ? -11.088 36.471 23.200 1.00 66.87 ? 64 ALA c N 1 ? ? +33573 ATOM C CA . ALA W 19 46 ? -12.249 36.949 22.463 1.00 67.07 ? 64 ALA c CA 1 ? ? +33574 ATOM C CB . ALA W 19 46 ? -13.511 36.234 22.917 1.00 67.29 ? 64 ALA c CB 1 ? ? +33575 ATOM C C . ALA W 19 46 ? -12.409 38.455 22.638 1.00 67.79 ? 64 ALA c C 1 ? ? +33576 ATOM O O . ALA W 19 46 ? -12.633 39.173 21.666 1.00 67.74 ? 64 ALA c O 1 ? ? +33577 ATOM N N . GLY W 19 47 ? -12.274 38.915 23.889 1.00 68.51 ? 65 GLY c N 1 ? ? +33578 ATOM C CA . GLY W 19 47 ? -12.331 40.334 24.204 1.00 69.25 ? 65 GLY c CA 1 ? ? +33579 ATOM C C . GLY W 19 47 ? -11.153 41.124 23.638 1.00 69.09 ? 65 GLY c C 1 ? ? +33580 ATOM O O . GLY W 19 47 ? -11.345 42.078 22.898 1.00 69.22 ? 65 GLY c O 1 ? ? +33581 ATOM N N . ALA W 19 48 ? -9.931 40.707 23.981 1.00 68.84 ? 66 ALA c N 1 ? ? +33582 ATOM C CA . ALA W 19 48 ? -8.733 41.408 23.550 1.00 68.76 ? 66 ALA c CA 1 ? ? +33583 ATOM C CB . ALA W 19 48 ? -7.499 40.762 24.148 1.00 68.49 ? 66 ALA c CB 1 ? ? +33584 ATOM C C . ALA W 19 48 ? -8.608 41.451 22.030 1.00 68.25 ? 66 ALA c C 1 ? ? +33585 ATOM O O . ALA W 19 48 ? -8.221 42.473 21.471 1.00 68.51 ? 66 ALA c O 1 ? ? +33586 ATOM N N . MET W 19 49 ? -8.937 40.336 21.368 1.00 67.54 ? 67 MET c N 1 ? ? +33587 ATOM C CA . MET W 19 49 ? -8.777 40.236 19.927 1.00 66.89 ? 67 MET c CA 1 ? ? +33588 ATOM C CB . MET W 19 49 ? -8.954 38.783 19.450 1.00 66.21 ? 67 MET c CB 1 ? ? +33589 ATOM C CG . MET W 19 49 ? -8.564 38.577 17.995 1.00 65.60 ? 67 MET c CG 1 ? ? +33590 ATOM S SD . MET W 19 49 ? -6.757 38.530 17.731 1.00 65.15 ? 67 MET c SD 1 ? ? +33591 ATOM C CE . MET W 19 49 ? -6.555 39.960 16.698 1.00 65.36 ? 67 MET c CE 1 ? ? +33592 ATOM C C . MET W 19 49 ? -9.772 41.151 19.215 1.00 67.11 ? 67 MET c C 1 ? ? +33593 ATOM O O . MET W 19 49 ? -9.426 41.771 18.216 1.00 66.87 ? 67 MET c O 1 ? ? +33594 ATOM N N . THR W 19 50 ? -11.002 41.240 19.735 1.00 67.51 ? 68 THR c N 1 ? ? +33595 ATOM C CA . THR W 19 50 ? -12.010 42.120 19.164 1.00 67.86 ? 68 THR c CA 1 ? ? +33596 ATOM C CB . THR W 19 50 ? -13.344 41.939 19.883 1.00 68.35 ? 68 THR c CB 1 ? ? +33597 ATOM O OG1 . THR W 19 50 ? -13.775 40.600 19.685 1.00 67.86 ? 68 THR c OG1 1 ? ? +33598 ATOM C CG2 . THR W 19 50 ? -14.407 42.897 19.393 1.00 68.89 ? 68 THR c CG2 1 ? ? +33599 ATOM C C . THR W 19 50 ? -11.572 43.581 19.210 1.00 68.38 ? 68 THR c C 1 ? ? +33600 ATOM O O . THR W 19 50 ? -11.762 44.313 18.245 1.00 68.40 ? 68 THR c O 1 ? ? +33601 ATOM N N . LEU W 19 51 ? -11.002 43.995 20.348 1.00 68.87 ? 69 LEU c N 1 ? ? +33602 ATOM C CA . LEU W 19 51 ? -10.548 45.365 20.528 1.00 69.46 ? 69 LEU c CA 1 ? ? +33603 ATOM C CB . LEU W 19 51 ? -10.119 45.629 21.983 1.00 69.96 ? 69 LEU c CB 1 ? ? +33604 ATOM C CG . LEU W 19 51 ? -11.229 45.502 23.032 1.00 70.51 ? 69 LEU c CG 1 ? ? +33605 ATOM C CD1 . LEU W 19 51 ? -10.704 45.774 24.413 1.00 71.01 ? 69 LEU c CD1 1 ? ? +33606 ATOM C CD2 . LEU W 19 51 ? -12.417 46.416 22.712 1.00 71.07 ? 69 LEU c CD2 1 ? ? +33607 ATOM C C . LEU W 19 51 ? -9.390 45.644 19.576 1.00 69.11 ? 69 LEU c C 1 ? ? +33608 ATOM O O . LEU W 19 51 ? -9.286 46.738 19.037 1.00 69.35 ? 69 LEU c O 1 ? ? +33609 ATOM N N . PHE W 19 52 ? -8.532 44.638 19.379 1.00 68.61 ? 70 PHE c N 1 ? ? +33610 ATOM C CA . PHE W 19 52 ? -7.449 44.723 18.416 1.00 68.26 ? 70 PHE c CA 1 ? ? +33611 ATOM C CB . PHE W 19 52 ? -6.582 43.462 18.457 1.00 67.67 ? 70 PHE c CB 1 ? ? +33612 ATOM C CG . PHE W 19 52 ? -5.304 43.565 17.670 1.00 67.38 ? 70 PHE c CG 1 ? ? +33613 ATOM C CD1 . PHE W 19 52 ? -4.162 44.073 18.249 1.00 67.80 ? 70 PHE c CD1 1 ? ? +33614 ATOM C CD2 . PHE W 19 52 ? -5.252 43.181 16.341 1.00 66.83 ? 70 PHE c CD2 1 ? ? +33615 ATOM C CE1 . PHE W 19 52 ? -2.979 44.172 17.524 1.00 67.58 ? 70 PHE c CE1 1 ? ? +33616 ATOM C CE2 . PHE W 19 52 ? -4.070 43.294 15.616 1.00 66.61 ? 70 PHE c CE2 1 ? ? +33617 ATOM C CZ . PHE W 19 52 ? -2.938 43.773 16.219 1.00 66.95 ? 70 PHE c CZ 1 ? ? +33618 ATOM C C . PHE W 19 52 ? -8.012 44.915 17.013 1.00 68.00 ? 70 PHE c C 1 ? ? +33619 ATOM O O . PHE W 19 52 ? -7.588 45.804 16.284 1.00 68.04 ? 70 PHE c O 1 ? ? +33620 ATOM N N . GLU W 19 53 ? -8.968 44.063 16.639 1.00 67.79 ? 71 GLU c N 1 ? ? +33621 ATOM C CA . GLU W 19 53 ? -9.601 44.163 15.334 1.00 67.65 ? 71 GLU c CA 1 ? ? +33622 ATOM C CB . GLU W 19 53 ? -10.674 43.081 15.157 1.00 67.21 ? 71 GLU c CB 1 ? ? +33623 ATOM C CG . GLU W 19 53 ? -10.096 41.706 14.894 1.00 66.33 ? 71 GLU c CG 1 ? ? +33624 ATOM C CD . GLU W 19 53 ? -11.082 40.678 14.389 1.00 65.89 ? 71 GLU c CD 1 ? ? +33625 ATOM O OE1 . GLU W 19 53 ? -12.249 41.042 14.140 1.00 66.18 ? 71 GLU c OE1 1 ? ? +33626 ATOM O OE2 . GLU W 19 53 ? -10.682 39.505 14.227 1.00 65.28 ? 71 GLU c OE2 1 ? ? +33627 ATOM C C . GLU W 19 53 ? -10.203 45.551 15.128 1.00 68.59 ? 71 GLU c C 1 ? ? +33628 ATOM O O . GLU W 19 53 ? -9.954 46.191 14.111 1.00 68.68 ? 71 GLU c O 1 ? ? +33629 ATOM N N . LEU W 19 54 ? -10.968 46.020 16.117 1.00 69.44 ? 72 LEU c N 1 ? ? +33630 ATOM C CA . LEU W 19 54 ? -11.635 47.305 16.015 1.00 70.34 ? 72 LEU c CA 1 ? ? +33631 ATOM C CB . LEU W 19 54 ? -12.544 47.525 17.233 1.00 70.99 ? 72 LEU c CB 1 ? ? +33632 ATOM C CG . LEU W 19 54 ? -13.322 48.828 17.260 1.00 71.83 ? 72 LEU c CG 1 ? ? +33633 ATOM C CD1 . LEU W 19 54 ? -14.188 48.979 16.043 1.00 71.71 ? 72 LEU c CD1 1 ? ? +33634 ATOM C CD2 . LEU W 19 54 ? -14.162 48.908 18.498 1.00 72.52 ? 72 LEU c CD2 1 ? ? +33635 ATOM C C . LEU W 19 54 ? -10.636 48.450 15.876 1.00 70.86 ? 72 LEU c C 1 ? ? +33636 ATOM O O . LEU W 19 54 ? -10.843 49.343 15.062 1.00 71.20 ? 72 LEU c O 1 ? ? +33637 ATOM N N . ALA W 19 55 ? -9.556 48.412 16.668 1.00 71.12 ? 73 ALA c N 1 ? ? +33638 ATOM C CA . ALA W 19 55 ? -8.498 49.412 16.602 1.00 71.58 ? 73 ALA c CA 1 ? ? +33639 ATOM C CB . ALA W 19 55 ? -7.434 49.113 17.638 1.00 71.56 ? 73 ALA c CB 1 ? ? +33640 ATOM C C . ALA W 19 55 ? -7.858 49.495 15.219 1.00 71.32 ? 73 ALA c C 1 ? ? +33641 ATOM O O . ALA W 19 55 ? -7.481 50.572 14.768 1.00 71.67 ? 73 ALA c O 1 ? ? +33642 ATOM N N . HIS W 19 56 ? -7.764 48.345 14.553 1.00 70.95 ? 74 HIS c N 1 ? ? +33643 ATOM C CA . HIS W 19 56 ? -7.170 48.248 13.233 1.00 70.73 ? 74 HIS c CA 1 ? ? +33644 ATOM C CB . HIS W 19 56 ? -6.390 46.942 13.160 1.00 70.07 ? 74 HIS c CB 1 ? ? +33645 ATOM C CG . HIS W 19 56 ? -5.151 46.933 13.998 1.00 70.29 ? 74 HIS c CG 1 ? ? +33646 ATOM N ND1 . HIS W 19 56 ? -5.194 47.040 15.372 1.00 70.90 ? 74 HIS c ND1 1 ? ? +33647 ATOM C CE1 . HIS W 19 56 ? -3.936 46.983 15.779 1.00 70.89 ? 74 HIS c CE1 1 ? ? +33648 ATOM N NE2 . HIS W 19 56 ? -3.105 46.841 14.744 1.00 70.41 ? 74 HIS c NE2 1 ? ? +33649 ATOM C CD2 . HIS W 19 56 ? -3.869 46.808 13.611 1.00 70.03 ? 74 HIS c CD2 1 ? ? +33650 ATOM C C . HIS W 19 56 ? -8.190 48.288 12.102 1.00 70.91 ? 74 HIS c C 1 ? ? +33651 ATOM O O . HIS W 19 56 ? -7.835 48.042 10.956 1.00 70.70 ? 74 HIS c O 1 ? ? +33652 ATOM N N . PHE W 19 57 ? -9.450 48.597 12.426 1.00 71.77 ? 75 PHE c N 1 ? ? +33653 ATOM C CA . PHE W 19 57 ? -10.532 48.539 11.458 1.00 71.90 ? 75 PHE c CA 1 ? ? +33654 ATOM C CB . PHE W 19 57 ? -11.837 48.149 12.164 1.00 72.29 ? 75 PHE c CB 1 ? ? +33655 ATOM C CG . PHE W 19 57 ? -13.014 47.973 11.243 1.00 72.37 ? 75 PHE c CG 1 ? ? +33656 ATOM C CD1 . PHE W 19 57 ? -12.986 47.034 10.228 1.00 71.76 ? 75 PHE c CD1 1 ? ? +33657 ATOM C CD2 . PHE W 19 57 ? -14.138 48.756 11.375 1.00 73.17 ? 75 PHE c CD2 1 ? ? +33658 ATOM C CE1 . PHE W 19 57 ? -14.060 46.876 9.374 1.00 71.68 ? 75 PHE c CE1 1 ? ? +33659 ATOM C CE2 . PHE W 19 57 ? -15.211 48.592 10.520 1.00 73.34 ? 75 PHE c CE2 1 ? ? +33660 ATOM C CZ . PHE W 19 57 ? -15.164 47.647 9.525 1.00 72.51 ? 75 PHE c CZ 1 ? ? +33661 ATOM C C . PHE W 19 57 ? -10.711 49.876 10.745 1.00 72.70 ? 75 PHE c C 1 ? ? +33662 ATOM O O . PHE W 19 57 ? -10.851 50.909 11.393 1.00 73.38 ? 75 PHE c O 1 ? ? +33663 ATOM N N . ILE W 19 58 ? -10.679 49.838 9.405 1.00 72.77 ? 76 ILE c N 1 ? ? +33664 ATOM C CA . ILE W 19 58 ? -11.036 50.973 8.568 1.00 73.67 ? 76 ILE c CA 1 ? ? +33665 ATOM C CB . ILE W 19 58 ? -9.928 51.277 7.525 1.00 73.51 ? 76 ILE c CB 1 ? ? +33666 ATOM C CG1 . ILE W 19 58 ? -8.617 51.755 8.205 1.00 73.92 ? 76 ILE c CG1 1 ? ? +33667 ATOM C CG2 . ILE W 19 58 ? -10.397 52.302 6.505 1.00 74.10 ? 76 ILE c CG2 1 ? ? +33668 ATOM C CD1 . ILE W 19 58 ? -7.344 51.839 7.256 1.00 73.66 ? 76 ILE c CD1 1 ? ? +33669 ATOM C C . ILE W 19 58 ? -12.382 50.626 7.929 1.00 74.08 ? 76 ILE c C 1 ? ? +33670 ATOM O O . ILE W 19 58 ? -12.469 49.670 7.165 1.00 73.51 ? 76 ILE c O 1 ? ? +33671 ATOM N N . PRO W 19 59 ? -13.489 51.345 8.242 1.00 75.38 ? 77 PRO c N 1 ? ? +33672 ATOM C CA . PRO W 19 59 ? -14.824 50.934 7.801 1.00 75.56 ? 77 PRO c CA 1 ? ? +33673 ATOM C CB . PRO W 19 59 ? -15.742 51.945 8.487 1.00 76.46 ? 77 PRO c CB 1 ? ? +33674 ATOM C CG . PRO W 19 59 ? -14.924 52.506 9.611 1.00 76.82 ? 77 PRO c CG 1 ? ? +33675 ATOM C CD . PRO W 19 59 ? -13.534 52.561 9.070 1.00 76.30 ? 77 PRO c CD 1 ? ? +33676 ATOM C C . PRO W 19 59 ? -15.088 50.926 6.298 1.00 75.67 ? 77 PRO c C 1 ? ? +33677 ATOM O O . PRO W 19 59 ? -16.005 50.247 5.850 1.00 75.81 ? 77 PRO c O 1 ? ? +33678 ATOM N N . GLU W 19 60 ? -14.295 51.664 5.515 1.00 76.12 ? 78 GLU c N 1 ? ? +33679 ATOM C CA . GLU W 19 60 ? -14.537 51.737 4.082 1.00 76.37 ? 78 GLU c CA 1 ? ? +33680 ATOM C CB . GLU W 19 60 ? -14.088 53.080 3.478 1.00 77.76 ? 78 GLU c CB 1 ? ? +33681 ATOM C CG . GLU W 19 60 ? -14.435 54.309 4.315 1.00 79.58 ? 78 GLU c CG 1 ? ? +33682 ATOM C CD . GLU W 19 60 ? -13.280 54.856 5.134 1.00 80.73 ? 78 GLU c CD 1 ? ? +33683 ATOM O OE1 . GLU W 19 60 ? -12.111 54.707 4.701 1.00 80.31 ? 78 GLU c OE1 1 ? ? +33684 ATOM O OE2 . GLU W 19 60 ? -13.546 55.425 6.220 1.00 82.56 ? 78 GLU c OE2 1 ? ? +33685 ATOM C C . GLU W 19 60 ? -13.883 50.592 3.306 1.00 74.95 ? 78 GLU c C 1 ? ? +33686 ATOM O O . GLU W 19 60 ? -14.229 50.365 2.150 1.00 75.22 ? 78 GLU c O 1 ? ? +33687 ATOM N N . LYS W 19 61 ? -12.933 49.878 3.925 1.00 73.69 ? 79 LYS c N 1 ? ? +33688 ATOM C CA . LYS W 19 61 ? -12.383 48.662 3.342 1.00 72.03 ? 79 LYS c CA 1 ? ? +33689 ATOM C CB . LYS W 19 61 ? -10.970 48.340 3.848 1.00 71.84 ? 79 LYS c CB 1 ? ? +33690 ATOM C CG . LYS W 19 61 ? -9.889 49.234 3.328 1.00 72.26 ? 79 LYS c CG 1 ? ? +33691 ATOM C CD . LYS W 19 61 ? -8.543 48.934 3.969 1.00 72.14 ? 79 LYS c CD 1 ? ? +33692 ATOM C CE . LYS W 19 61 ? -7.842 47.759 3.357 1.00 71.52 ? 79 LYS c CE 1 ? ? +33693 ATOM N NZ . LYS W 19 61 ? -6.435 47.655 3.856 1.00 71.57 ? 79 LYS c NZ 1 ? ? +33694 ATOM C C . LYS W 19 61 ? -13.272 47.485 3.714 1.00 70.86 ? 79 LYS c C 1 ? ? +33695 ATOM O O . LYS W 19 61 ? -13.775 47.415 4.831 1.00 71.23 ? 79 LYS c O 1 ? ? +33696 ATOM N N . PRO W 19 62 ? -13.474 46.501 2.813 1.00 69.31 ? 80 PRO c N 1 ? ? +33697 ATOM C CA . PRO W 19 62 ? -14.146 45.265 3.192 1.00 68.49 ? 80 PRO c CA 1 ? ? +33698 ATOM C CB . PRO W 19 62 ? -14.049 44.422 1.928 1.00 67.98 ? 80 PRO c CB 1 ? ? +33699 ATOM C CG . PRO W 19 62 ? -13.871 45.411 0.813 1.00 68.32 ? 80 PRO c CG 1 ? ? +33700 ATOM C CD . PRO W 19 62 ? -13.090 46.530 1.394 1.00 68.91 ? 80 PRO c CD 1 ? ? +33701 ATOM C C . PRO W 19 62 ? -13.441 44.619 4.377 1.00 67.77 ? 80 PRO c C 1 ? ? +33702 ATOM O O . PRO W 19 62 ? -12.222 44.695 4.490 1.00 67.82 ? 80 PRO c O 1 ? ? +33703 ATOM N N . MET W 19 63 ? -14.220 43.985 5.254 1.00 67.32 ? 81 MET c N 1 ? ? +33704 ATOM C CA . MET W 19 63 ? -13.675 43.276 6.399 1.00 66.61 ? 81 MET c CA 1 ? ? +33705 ATOM C CB . MET W 19 63 ? -14.804 42.519 7.105 1.00 66.59 ? 81 MET c CB 1 ? ? +33706 ATOM C CG . MET W 19 63 ? -15.712 43.392 7.867 1.00 67.37 ? 81 MET c CG 1 ? ? +33707 ATOM S SD . MET W 19 63 ? -17.000 42.438 8.642 1.00 67.51 ? 81 MET c SD 1 ? ? +33708 ATOM C CE . MET W 19 63 ? -18.044 43.711 9.196 1.00 68.48 ? 81 MET c CE 1 ? ? +33709 ATOM C C . MET W 19 63 ? -12.583 42.283 6.000 1.00 65.49 ? 81 MET c C 1 ? ? +33710 ATOM O O . MET W 19 63 ? -11.568 42.158 6.682 1.00 65.29 ? 81 MET c O 1 ? ? +33711 ATOM N N . TYR W 19 64 ? -12.812 41.579 4.885 1.00 64.63 ? 82 TYR c N 1 ? ? +33712 ATOM C CA . TYR W 19 64 ? -11.957 40.477 4.467 1.00 63.48 ? 82 TYR c CA 1 ? ? +33713 ATOM C CB . TYR W 19 64 ? -12.720 39.587 3.455 1.00 62.79 ? 82 TYR c CB 1 ? ? +33714 ATOM C CG . TYR W 19 64 ? -13.408 40.296 2.301 1.00 62.81 ? 82 TYR c CG 1 ? ? +33715 ATOM C CD1 . TYR W 19 64 ? -12.701 40.660 1.164 1.00 62.43 ? 82 TYR c CD1 1 ? ? +33716 ATOM C CD2 . TYR W 19 64 ? -14.776 40.564 2.333 1.00 63.09 ? 82 TYR c CD2 1 ? ? +33717 ATOM C CE1 . TYR W 19 64 ? -13.326 41.287 0.095 1.00 62.62 ? 82 TYR c CE1 1 ? ? +33718 ATOM C CE2 . TYR W 19 64 ? -15.413 41.189 1.267 1.00 63.26 ? 82 TYR c CE2 1 ? ? +33719 ATOM C CZ . TYR W 19 64 ? -14.684 41.547 0.145 1.00 63.04 ? 82 TYR c CZ 1 ? ? +33720 ATOM O OH . TYR W 19 64 ? -15.267 42.172 -0.929 1.00 63.19 ? 82 TYR c OH 1 ? ? +33721 ATOM C C . TYR W 19 64 ? -10.594 40.929 3.932 1.00 63.23 ? 82 TYR c C 1 ? ? +33722 ATOM O O . TYR W 19 64 ? -9.668 40.125 3.797 1.00 62.61 ? 82 TYR c O 1 ? ? +33723 ATOM N N . GLU W 19 65 ? -10.462 42.230 3.667 1.00 63.75 ? 83 GLU c N 1 ? ? +33724 ATOM C CA . GLU W 19 65 ? -9.184 42.814 3.306 1.00 63.67 ? 83 GLU c CA 1 ? ? +33725 ATOM C CB . GLU W 19 65 ? -9.379 44.068 2.446 1.00 64.08 ? 83 GLU c CB 1 ? ? +33726 ATOM C CG . GLU W 19 65 ? -9.783 43.795 1.018 1.00 63.74 ? 83 GLU c CG 1 ? ? +33727 ATOM C CD . GLU W 19 65 ? -9.637 45.004 0.122 1.00 64.15 ? 83 GLU c CD 1 ? ? +33728 ATOM O OE1 . GLU W 19 65 ? -9.475 46.114 0.660 1.00 64.83 ? 83 GLU c OE1 1 ? ? +33729 ATOM O OE2 . GLU W 19 65 ? -9.615 44.841 -1.116 1.00 63.94 ? 83 GLU c OE2 1 ? ? +33730 ATOM C C . GLU W 19 65 ? -8.351 43.209 4.520 1.00 64.10 ? 83 GLU c C 1 ? ? +33731 ATOM O O . GLU W 19 65 ? -7.233 43.677 4.349 1.00 64.21 ? 83 GLU c O 1 ? ? +33732 ATOM N N . GLN W 19 66 ? -8.878 43.019 5.738 1.00 64.50 ? 84 GLN c N 1 ? ? +33733 ATOM C CA . GLN W 19 66 ? -8.241 43.569 6.926 1.00 64.92 ? 84 GLN c CA 1 ? ? +33734 ATOM C CB . GLN W 19 66 ? -9.174 44.632 7.506 1.00 65.91 ? 84 GLN c CB 1 ? ? +33735 ATOM C CG . GLN W 19 66 ? -9.504 45.768 6.539 1.00 66.37 ? 84 GLN c CG 1 ? ? +33736 ATOM C CD . GLN W 19 66 ? -10.418 46.748 7.228 1.00 67.28 ? 84 GLN c CD 1 ? ? +33737 ATOM O OE1 . GLN W 19 66 ? -10.040 47.389 8.215 1.00 67.94 ? 84 GLN c OE1 1 ? ? +33738 ATOM N NE2 . GLN W 19 66 ? -11.653 46.868 6.771 1.00 67.47 ? 84 GLN c NE2 1 ? ? +33739 ATOM C C . GLN W 19 66 ? -7.864 42.570 8.022 1.00 64.55 ? 84 GLN c C 1 ? ? +33740 ATOM O O . GLN W 19 66 ? -7.420 42.976 9.091 1.00 64.83 ? 84 GLN c O 1 ? ? +33741 ATOM N N . GLY W 19 67 ? -8.021 41.269 7.752 1.00 63.98 ? 85 GLY c N 1 ? ? +33742 ATOM C CA . GLY W 19 67 ? -7.572 40.222 8.659 1.00 63.65 ? 85 GLY c CA 1 ? ? +33743 ATOM C C . GLY W 19 67 ? -8.494 39.999 9.853 1.00 64.04 ? 85 GLY c C 1 ? ? +33744 ATOM O O . GLY W 19 67 ? -8.047 39.610 10.931 1.00 64.08 ? 85 GLY c O 1 ? ? +33745 ATOM N N . LEU W 19 68 ? -9.791 40.230 9.637 1.00 64.36 ? 86 LEU c N 1 ? ? +33746 ATOM C CA . LEU W 19 68 ? -10.774 40.156 10.700 1.00 64.80 ? 86 LEU c CA 1 ? ? +33747 ATOM C CB . LEU W 19 68 ? -11.801 41.263 10.513 1.00 65.51 ? 86 LEU c CB 1 ? ? +33748 ATOM C CG . LEU W 19 68 ? -11.361 42.677 10.884 1.00 66.17 ? 86 LEU c CG 1 ? ? +33749 ATOM C CD1 . LEU W 19 68 ? -9.950 42.934 10.609 1.00 65.96 ? 86 LEU c CD1 1 ? ? +33750 ATOM C CD2 . LEU W 19 68 ? -12.140 43.695 10.104 1.00 66.64 ? 86 LEU c CD2 1 ? ? +33751 ATOM C C . LEU W 19 68 ? -11.457 38.796 10.669 1.00 64.39 ? 86 LEU c C 1 ? ? +33752 ATOM O O . LEU W 19 68 ? -11.884 38.350 9.610 1.00 64.21 ? 86 LEU c O 1 ? ? +33753 ATOM N N . ILE W 19 69 ? -11.540 38.144 11.832 1.00 64.43 ? 87 ILE c N 1 ? ? +33754 ATOM C CA . ILE W 19 69 ? -12.301 36.911 11.969 1.00 64.09 ? 87 ILE c CA 1 ? ? +33755 ATOM C CB . ILE W 19 69 ? -11.359 35.714 12.240 1.00 63.62 ? 87 ILE c CB 1 ? ? +33756 ATOM C CG1 . ILE W 19 69 ? -10.538 35.877 13.536 1.00 63.97 ? 87 ILE c CG1 1 ? ? +33757 ATOM C CG2 . ILE W 19 69 ? -10.437 35.492 11.047 1.00 63.06 ? 87 ILE c CG2 1 ? ? +33758 ATOM C CD1 . ILE W 19 69 ? -9.606 34.726 13.830 1.00 63.42 ? 87 ILE c CD1 1 ? ? +33759 ATOM C C . ILE W 19 69 ? -13.405 37.013 13.020 1.00 64.57 ? 87 ILE c C 1 ? ? +33760 ATOM O O . ILE W 19 69 ? -14.366 36.249 12.978 1.00 64.46 ? 87 ILE c O 1 ? ? +33761 ATOM N N . LEU W 19 70 ? -13.286 37.973 13.945 1.00 65.10 ? 88 LEU c N 1 ? ? +33762 ATOM C CA . LEU W 19 70 ? -14.266 38.112 15.008 1.00 65.68 ? 88 LEU c CA 1 ? ? +33763 ATOM C CB . LEU W 19 70 ? -13.539 38.474 16.296 1.00 66.01 ? 88 LEU c CB 1 ? ? +33764 ATOM C CG . LEU W 19 70 ? -12.599 37.402 16.845 1.00 65.50 ? 88 LEU c CG 1 ? ? +33765 ATOM C CD1 . LEU W 19 70 ? -12.305 37.642 18.307 1.00 66.08 ? 88 LEU c CD1 1 ? ? +33766 ATOM C CD2 . LEU W 19 70 ? -13.157 36.008 16.678 1.00 65.05 ? 88 LEU c CD2 1 ? ? +33767 ATOM C C . LEU W 19 70 ? -15.377 39.114 14.687 1.00 66.23 ? 88 LEU c C 1 ? ? +33768 ATOM O O . LEU W 19 70 ? -16.549 38.803 14.837 1.00 66.43 ? 88 LEU c O 1 ? ? +33769 ATOM N N . ILE W 19 71 ? -15.017 40.309 14.216 1.00 66.50 ? 89 ILE c N 1 ? ? +33770 ATOM C CA . ILE W 19 71 ? -16.009 41.295 13.814 1.00 67.05 ? 89 ILE c CA 1 ? ? +33771 ATOM C CB . ILE W 19 71 ? -15.301 42.592 13.345 1.00 67.32 ? 89 ILE c CB 1 ? ? +33772 ATOM C CG1 . ILE W 19 71 ? -14.692 43.306 14.576 1.00 67.91 ? 89 ILE c CG1 1 ? ? +33773 ATOM C CG2 . ILE W 19 71 ? -16.227 43.509 12.573 1.00 67.85 ? 89 ILE c CG2 1 ? ? +33774 ATOM C CD1 . ILE W 19 71 ? -13.994 44.616 14.309 1.00 68.31 ? 89 ILE c CD1 1 ? ? +33775 ATOM C C . ILE W 19 71 ? -16.994 40.740 12.784 1.00 66.78 ? 89 ILE c C 1 ? ? +33776 ATOM O O . ILE W 19 71 ? -18.185 41.055 12.847 1.00 67.39 ? 89 ILE c O 1 ? ? +33777 ATOM N N . PRO W 19 72 ? -16.549 39.917 11.805 1.00 65.87 ? 90 PRO c N 1 ? ? +33778 ATOM C CA . PRO W 19 72 ? -17.467 39.209 10.914 1.00 65.59 ? 90 PRO c CA 1 ? ? +33779 ATOM C CB . PRO W 19 72 ? -16.523 38.346 10.082 1.00 64.73 ? 90 PRO c CB 1 ? ? +33780 ATOM C CG . PRO W 19 72 ? -15.222 39.059 10.111 1.00 64.64 ? 90 PRO c CG 1 ? ? +33781 ATOM C CD . PRO W 19 72 ? -15.140 39.674 11.453 1.00 65.26 ? 90 PRO c CD 1 ? ? +33782 ATOM C C . PRO W 19 72 ? -18.512 38.342 11.617 1.00 65.76 ? 90 PRO c C 1 ? ? +33783 ATOM O O . PRO W 19 72 ? -19.628 38.206 11.121 1.00 65.96 ? 90 PRO c O 1 ? ? +33784 ATOM N N . HIS W 19 73 ? -18.130 37.734 12.749 1.00 65.64 ? 91 HIS c N 1 ? ? +33785 ATOM C CA . HIS W 19 73 ? -19.062 36.947 13.541 1.00 65.87 ? 91 HIS c CA 1 ? ? +33786 ATOM C CB . HIS W 19 73 ? -18.353 36.109 14.624 1.00 65.50 ? 91 HIS c CB 1 ? ? +33787 ATOM C CG . HIS W 19 73 ? -17.739 34.838 14.121 1.00 64.50 ? 91 HIS c CG 1 ? ? +33788 ATOM N ND1 . HIS W 19 73 ? -18.326 33.614 14.367 1.00 64.17 ? 91 HIS c ND1 1 ? ? +33789 ATOM C CE1 . HIS W 19 73 ? -17.555 32.717 13.782 1.00 63.46 ? 91 HIS c CE1 1 ? ? +33790 ATOM N NE2 . HIS W 19 73 ? -16.500 33.304 13.194 1.00 63.20 ? 91 HIS c NE2 1 ? ? +33791 ATOM C CD2 . HIS W 19 73 ? -16.613 34.648 13.403 1.00 63.80 ? 91 HIS c CD2 1 ? ? +33792 ATOM C C . HIS W 19 73 ? -20.126 37.831 14.186 1.00 66.91 ? 91 HIS c C 1 ? ? +33793 ATOM O O . HIS W 19 73 ? -21.302 37.469 14.183 1.00 67.33 ? 91 HIS c O 1 ? ? +33794 ATOM N N . ILE W 19 74 ? -19.706 38.986 14.722 1.00 67.43 ? 92 ILE c N 1 ? ? +33795 ATOM C CA . ILE W 19 74 ? -20.629 39.916 15.354 1.00 68.40 ? 92 ILE c CA 1 ? ? +33796 ATOM C CB . ILE W 19 74 ? -19.881 41.031 16.127 1.00 68.81 ? 92 ILE c CB 1 ? ? +33797 ATOM C CG1 . ILE W 19 74 ? -18.898 40.463 17.150 1.00 68.53 ? 92 ILE c CG1 1 ? ? +33798 ATOM C CG2 . ILE W 19 74 ? -20.877 41.978 16.804 1.00 69.79 ? 92 ILE c CG2 1 ? ? +33799 ATOM C CD1 . ILE W 19 74 ? -17.923 41.465 17.660 1.00 68.81 ? 92 ILE c CD1 1 ? ? +33800 ATOM C C . ILE W 19 74 ? -21.580 40.519 14.323 1.00 68.77 ? 92 ILE c C 1 ? ? +33801 ATOM O O . ILE W 19 74 ? -22.778 40.644 14.566 1.00 69.21 ? 92 ILE c O 1 ? ? +33802 ATOM N N . ALA W 19 75 ? -21.019 40.904 13.172 1.00 68.63 ? 93 ALA c N 1 ? ? +33803 ATOM C CA . ALA W 19 75 ? -21.793 41.487 12.089 1.00 69.02 ? 93 ALA c CA 1 ? ? +33804 ATOM C CB . ALA W 19 75 ? -20.867 41.870 10.955 1.00 68.55 ? 93 ALA c CB 1 ? ? +33805 ATOM C C . ALA W 19 75 ? -22.882 40.546 11.580 1.00 69.09 ? 93 ALA c C 1 ? ? +33806 ATOM O O . ALA W 19 75 ? -23.984 40.986 11.278 1.00 69.78 ? 93 ALA c O 1 ? ? +33807 ATOM N N . THR W 19 76 ? -22.558 39.252 11.477 1.00 68.60 ? 94 THR c N 1 ? ? +33808 ATOM C CA . THR W 19 76 ? -23.505 38.239 11.032 1.00 68.48 ? 94 THR c CA 1 ? ? +33809 ATOM C CB . THR W 19 76 ? -22.792 36.870 10.976 1.00 67.58 ? 94 THR c CB 1 ? ? +33810 ATOM O OG1 . THR W 19 76 ? -21.652 36.952 10.116 1.00 66.96 ? 94 THR c OG1 1 ? ? +33811 ATOM C CG2 . THR W 19 76 ? -23.697 35.757 10.467 1.00 67.34 ? 94 THR c CG2 1 ? ? +33812 ATOM C C . THR W 19 76 ? -24.748 38.198 11.923 1.00 69.31 ? 94 THR c C 1 ? ? +33813 ATOM O O . THR W 19 76 ? -25.848 37.880 11.463 1.00 69.31 ? 94 THR c O 1 ? ? +33814 ATOM N N . LEU W 19 77 ? -24.554 38.515 13.210 1.00 69.91 ? 95 LEU c N 1 ? ? +33815 ATOM C CA . LEU W 19 77 ? -25.644 38.534 14.174 1.00 70.86 ? 95 LEU c CA 1 ? ? +33816 ATOM C CB . LEU W 19 77 ? -25.075 38.346 15.597 1.00 71.07 ? 95 LEU c CB 1 ? ? +33817 ATOM C CG . LEU W 19 77 ? -24.401 37.001 15.845 1.00 70.47 ? 95 LEU c CG 1 ? ? +33818 ATOM C CD1 . LEU W 19 77 ? -23.903 36.878 17.273 1.00 70.71 ? 95 LEU c CD1 1 ? ? +33819 ATOM C CD2 . LEU W 19 77 ? -25.355 35.852 15.524 1.00 70.40 ? 95 LEU c CD2 1 ? ? +33820 ATOM C C . LEU W 19 77 ? -26.493 39.805 14.124 1.00 71.66 ? 95 LEU c C 1 ? ? +33821 ATOM O O . LEU W 19 77 ? -27.405 39.961 14.922 1.00 72.26 ? 95 LEU c O 1 ? ? +33822 ATOM N N . GLY W 19 78 ? -26.189 40.707 13.185 1.00 71.81 ? 96 GLY c N 1 ? ? +33823 ATOM C CA . GLY W 19 78 ? -27.012 41.876 12.936 1.00 72.74 ? 96 GLY c CA 1 ? ? +33824 ATOM C C . GLY W 19 78 ? -26.529 43.157 13.611 1.00 73.49 ? 96 GLY c C 1 ? ? +33825 ATOM O O . GLY W 19 78 ? -27.170 44.199 13.494 1.00 74.49 ? 96 GLY c O 1 ? ? +33826 ATOM N N . TRP W 19 79 ? -25.401 43.081 14.319 1.00 73.40 ? 97 TRP c N 1 ? ? +33827 ATOM C CA . TRP W 19 79 ? -24.872 44.232 15.029 1.00 74.06 ? 97 TRP c CA 1 ? ? +33828 ATOM C CB . TRP W 19 79 ? -24.239 43.809 16.361 1.00 74.10 ? 97 TRP c CB 1 ? ? +33829 ATOM C CG . TRP W 19 79 ? -25.229 43.575 17.460 1.00 74.85 ? 97 TRP c CG 1 ? ? +33830 ATOM C CD1 . TRP W 19 79 ? -26.264 44.385 17.816 1.00 75.85 ? 97 TRP c CD1 1 ? ? +33831 ATOM N NE1 . TRP W 19 79 ? -26.940 43.843 18.879 1.00 76.38 ? 97 TRP c NE1 1 ? ? +33832 ATOM C CE2 . TRP W 19 79 ? -26.330 42.670 19.245 1.00 75.61 ? 97 TRP c CE2 1 ? ? +33833 ATOM C CZ2 . TRP W 19 79 ? -26.641 41.768 20.260 1.00 75.81 ? 97 TRP c CZ2 1 ? ? +33834 ATOM C CH2 . TRP W 19 79 ? -25.854 40.662 20.385 1.00 74.99 ? 97 TRP c CH2 1 ? ? +33835 ATOM C CZ3 . TRP W 19 79 ? -24.776 40.437 19.535 1.00 74.25 ? 97 TRP c CZ3 1 ? ? +33836 ATOM C CE3 . TRP W 19 79 ? -24.461 41.330 18.528 1.00 74.18 ? 97 TRP c CE3 1 ? ? +33837 ATOM C CD2 . TRP W 19 79 ? -25.250 42.472 18.369 1.00 74.72 ? 97 TRP c CD2 1 ? ? +33838 ATOM C C . TRP W 19 79 ? -23.857 45.004 14.196 1.00 73.90 ? 97 TRP c C 1 ? ? +33839 ATOM O O . TRP W 19 79 ? -22.893 44.439 13.691 1.00 73.24 ? 97 TRP c O 1 ? ? +33840 ATOM N N . GLY W 19 80 ? -24.096 46.308 14.066 1.00 74.86 ? 98 GLY c N 1 ? ? +33841 ATOM C CA . GLY W 19 80 ? -23.133 47.233 13.496 1.00 75.03 ? 98 GLY c CA 1 ? ? +33842 ATOM C C . GLY W 19 80 ? -23.230 47.416 11.985 1.00 75.16 ? 98 GLY c C 1 ? ? +33843 ATOM O O . GLY W 19 80 ? -22.477 48.205 11.417 1.00 75.57 ? 98 GLY c O 1 ? ? +33844 ATOM N N . VAL W 19 81 ? -24.164 46.704 11.342 1.00 75.25 ? 99 VAL c N 1 ? ? +33845 ATOM C CA . VAL W 19 81 ? -24.217 46.661 9.891 1.00 75.12 ? 99 VAL c CA 1 ? ? +33846 ATOM C CB . VAL W 19 81 ? -23.763 45.288 9.348 1.00 74.25 ? 99 VAL c CB 1 ? ? +33847 ATOM C CG1 . VAL W 19 81 ? -22.265 45.078 9.566 1.00 73.50 ? 99 VAL c CG1 1 ? ? +33848 ATOM C CG2 . VAL W 19 81 ? -24.592 44.145 9.947 1.00 74.24 ? 99 VAL c CG2 1 ? ? +33849 ATOM C C . VAL W 19 81 ? -25.605 47.001 9.366 1.00 75.99 ? 99 VAL c C 1 ? ? +33850 ATOM O O . VAL W 19 81 ? -26.594 46.873 10.081 1.00 76.75 ? 99 VAL c O 1 ? ? +33851 ATOM N N . GLY W 19 82 ? -25.643 47.423 8.099 1.00 76.26 ? 100 GLY c N 1 ? ? +33852 ATOM C CA . GLY W 19 82 ? -26.875 47.777 7.420 1.00 77.18 ? 100 GLY c CA 1 ? ? +33853 ATOM C C . GLY W 19 82 ? -26.894 47.208 6.007 1.00 76.99 ? 100 GLY c C 1 ? ? +33854 ATOM O O . GLY W 19 82 ? -26.155 46.272 5.712 1.00 76.23 ? 100 GLY c O 1 ? ? +33855 ATOM N N . PRO W 19 83 ? -27.730 47.759 5.093 1.00 78.05 ? 101 PRO c N 1 ? ? +33856 ATOM C CA . PRO W 19 83 ? -27.872 47.207 3.744 1.00 77.91 ? 101 PRO c CA 1 ? ? +33857 ATOM C CB . PRO W 19 83 ? -28.702 48.268 3.028 1.00 78.49 ? 101 PRO c CB 1 ? ? +33858 ATOM C CG . PRO W 19 83 ? -29.499 48.926 4.135 1.00 79.29 ? 101 PRO c CG 1 ? ? +33859 ATOM C CD . PRO W 19 83 ? -28.584 48.938 5.317 1.00 79.04 ? 101 PRO c CD 1 ? ? +33860 ATOM C C . PRO W 19 83 ? -26.529 46.959 3.058 1.00 77.46 ? 101 PRO c C 1 ? ? +33861 ATOM O O . PRO W 19 83 ? -25.626 47.786 3.141 1.00 77.85 ? 101 PRO c O 1 ? ? +33862 ATOM N N . GLY W 19 84 ? -26.397 45.789 2.422 1.00 77.11 ? 102 GLY c N 1 ? ? +33863 ATOM C CA . GLY W 19 84 ? -25.185 45.418 1.709 1.00 76.66 ? 102 GLY c CA 1 ? ? +33864 ATOM C C . GLY W 19 84 ? -24.017 45.012 2.605 1.00 76.52 ? 102 GLY c C 1 ? ? +33865 ATOM O O . GLY W 19 84 ? -22.929 44.735 2.106 1.00 76.13 ? 102 GLY c O 1 ? ? +33866 ATOM N N . GLY W 19 85 ? -24.257 44.956 3.921 1.00 77.20 ? 103 GLY c N 1 ? ? +33867 ATOM C CA . GLY W 19 85 ? -23.215 44.651 4.888 1.00 77.01 ? 103 GLY c CA 1 ? ? +33868 ATOM C C . GLY W 19 85 ? -22.314 45.837 5.217 1.00 77.65 ? 103 GLY c C 1 ? ? +33869 ATOM O O . GLY W 19 85 ? -21.231 45.666 5.767 1.00 77.04 ? 103 GLY c O 1 ? ? +33870 ATOM N N . GLU W 19 86 ? -22.772 47.046 4.886 1.00 79.04 ? 104 GLU c N 1 ? ? +33871 ATOM C CA . GLU W 19 86 ? -22.012 48.243 5.190 1.00 79.93 ? 104 GLU c CA 1 ? ? +33872 ATOM C CB . GLU W 19 86 ? -22.611 49.461 4.480 1.00 82.24 ? 104 GLU c CB 1 ? ? +33873 ATOM C CG . GLU W 19 86 ? -21.675 50.648 4.545 1.00 83.99 ? 104 GLU c CG 1 ? ? +33874 ATOM C CD . GLU W 19 86 ? -22.165 51.911 3.882 1.00 86.16 ? 104 GLU c CD 1 ? ? +33875 ATOM O OE1 . GLU W 19 86 ? -23.399 52.097 3.741 1.00 87.80 ? 104 GLU c OE1 1 ? ? +33876 ATOM O OE2 . GLU W 19 86 ? -21.291 52.714 3.483 1.00 87.59 ? 104 GLU c OE2 1 ? ? +33877 ATOM C C . GLU W 19 86 ? -22.003 48.455 6.701 1.00 79.04 ? 104 GLU c C 1 ? ? +33878 ATOM O O . GLU W 19 86 ? -23.017 48.245 7.357 1.00 78.94 ? 104 GLU c O 1 ? ? +33879 ATOM N N . VAL W 19 87 ? -20.852 48.864 7.245 1.00 78.00 ? 105 VAL c N 1 ? ? +33880 ATOM C CA . VAL W 19 87 ? -20.749 49.165 8.663 1.00 77.52 ? 105 VAL c CA 1 ? ? +33881 ATOM C CB . VAL W 19 87 ? -19.294 49.087 9.183 1.00 76.80 ? 105 VAL c CB 1 ? ? +33882 ATOM C CG1 . VAL W 19 87 ? -19.190 49.638 10.603 1.00 77.20 ? 105 VAL c CG1 1 ? ? +33883 ATOM C CG2 . VAL W 19 87 ? -18.767 47.661 9.107 1.00 75.56 ? 105 VAL c CG2 1 ? ? +33884 ATOM C C . VAL W 19 87 ? -21.342 50.545 8.921 1.00 77.86 ? 105 VAL c C 1 ? ? +33885 ATOM O O . VAL W 19 87 ? -20.887 51.528 8.344 1.00 77.96 ? 105 VAL c O 1 ? ? +33886 ATOM N N . VAL W 19 88 ? -22.352 50.594 9.797 1.00 78.08 ? 106 VAL c N 1 ? ? +33887 ATOM C CA . VAL W 19 88 ? -23.030 51.831 10.157 1.00 78.67 ? 106 VAL c CA 1 ? ? +33888 ATOM C CB . VAL W 19 88 ? -24.574 51.684 10.062 1.00 78.75 ? 106 VAL c CB 1 ? ? +33889 ATOM C CG1 . VAL W 19 88 ? -25.009 51.417 8.634 1.00 78.38 ? 106 VAL c CG1 1 ? ? +33890 ATOM C CG2 . VAL W 19 88 ? -25.105 50.606 10.995 1.00 78.52 ? 106 VAL c CG2 1 ? ? +33891 ATOM C C . VAL W 19 88 ? -22.644 52.321 11.550 1.00 79.12 ? 106 VAL c C 1 ? ? +33892 ATOM O O . VAL W 19 88 ? -22.828 53.492 11.863 1.00 80.06 ? 106 VAL c O 1 ? ? +33893 ATOM N N . ASP W 19 89 ? -22.130 51.416 12.390 1.00 78.70 ? 107 ASP c N 1 ? ? +33894 ATOM C CA . ASP W 19 89 ? -21.906 51.703 13.797 1.00 79.05 ? 107 ASP c CA 1 ? ? +33895 ATOM C CB . ASP W 19 89 ? -23.248 51.688 14.539 1.00 79.93 ? 107 ASP c CB 1 ? ? +33896 ATOM C CG . ASP W 19 89 ? -23.204 52.114 15.987 1.00 80.90 ? 107 ASP c CG 1 ? ? +33897 ATOM O OD1 . ASP W 19 89 ? -22.116 52.507 16.459 1.00 80.79 ? 107 ASP c OD1 1 ? ? +33898 ATOM O OD2 . ASP W 19 89 ? -24.262 52.057 16.651 1.00 82.11 ? 107 ASP c OD2 1 ? ? +33899 ATOM C C . ASP W 19 89 ? -20.946 50.677 14.398 1.00 78.12 ? 107 ASP c C 1 ? ? +33900 ATOM O O . ASP W 19 89 ? -21.298 49.510 14.550 1.00 77.70 ? 107 ASP c O 1 ? ? +33901 ATOM N N . THR W 19 90 ? -19.734 51.128 14.748 1.00 77.68 ? 108 THR c N 1 ? ? +33902 ATOM C CA . THR W 19 90 ? -18.724 50.257 15.324 1.00 76.76 ? 108 THR c CA 1 ? ? +33903 ATOM C CB . THR W 19 90 ? -17.331 50.830 15.073 1.00 76.27 ? 108 THR c CB 1 ? ? +33904 ATOM O OG1 . THR W 19 90 ? -17.219 52.076 15.728 1.00 76.91 ? 108 THR c OG1 1 ? ? +33905 ATOM C CG2 . THR W 19 90 ? -17.021 51.019 13.613 1.00 75.85 ? 108 THR c CG2 1 ? ? +33906 ATOM C C . THR W 19 90 ? -18.900 50.026 16.824 1.00 77.28 ? 108 THR c C 1 ? ? +33907 ATOM O O . THR W 19 90 ? -18.185 49.219 17.409 1.00 76.92 ? 108 THR c O 1 ? ? +33908 ATOM N N . PHE W 19 91 ? -19.841 50.737 17.457 1.00 78.40 ? 109 PHE c N 1 ? ? +33909 ATOM C CA . PHE W 19 91 ? -19.981 50.676 18.904 1.00 79.04 ? 109 PHE c CA 1 ? ? +33910 ATOM C CB . PHE W 19 91 ? -21.011 51.702 19.399 1.00 80.52 ? 109 PHE c CB 1 ? ? +33911 ATOM C CG . PHE W 19 91 ? -21.127 51.745 20.904 1.00 81.71 ? 109 PHE c CG 1 ? ? +33912 ATOM C CD1 . PHE W 19 91 ? -20.086 52.229 21.681 1.00 82.08 ? 109 PHE c CD1 1 ? ? +33913 ATOM C CD2 . PHE W 19 91 ? -22.264 51.270 21.544 1.00 82.70 ? 109 PHE c CD2 1 ? ? +33914 ATOM C CE1 . PHE W 19 91 ? -20.189 52.260 23.068 1.00 82.77 ? 109 PHE c CE1 1 ? ? +33915 ATOM C CE2 . PHE W 19 91 ? -22.362 51.297 22.929 1.00 83.47 ? 109 PHE c CE2 1 ? ? +33916 ATOM C CZ . PHE W 19 91 ? -21.325 51.793 23.683 1.00 83.44 ? 109 PHE c CZ 1 ? ? +33917 ATOM C C . PHE W 19 91 ? -20.336 49.277 19.412 1.00 78.30 ? 109 PHE c C 1 ? ? +33918 ATOM O O . PHE W 19 91 ? -19.788 48.835 20.423 1.00 78.02 ? 109 PHE c O 1 ? ? +33919 ATOM N N . PRO W 19 92 ? -21.266 48.533 18.763 1.00 77.76 ? 110 PRO c N 1 ? ? +33920 ATOM C CA . PRO W 19 92 ? -21.563 47.166 19.184 1.00 77.10 ? 110 PRO c CA 1 ? ? +33921 ATOM C CB . PRO W 19 92 ? -22.611 46.715 18.158 1.00 76.97 ? 110 PRO c CB 1 ? ? +33922 ATOM C CG . PRO W 19 92 ? -23.259 47.981 17.703 1.00 77.63 ? 110 PRO c CG 1 ? ? +33923 ATOM C CD . PRO W 19 92 ? -22.127 48.972 17.652 1.00 77.86 ? 110 PRO c CD 1 ? ? +33924 ATOM C C . PRO W 19 92 ? -20.320 46.279 19.223 1.00 75.96 ? 110 PRO c C 1 ? ? +33925 ATOM O O . PRO W 19 92 ? -20.185 45.460 20.126 1.00 75.52 ? 110 PRO c O 1 ? ? +33926 ATOM N N . PHE W 19 93 ? -19.404 46.461 18.265 1.00 75.43 ? 111 PHE c N 1 ? ? +33927 ATOM C CA . PHE W 19 93 ? -18.156 45.707 18.276 1.00 74.88 ? 111 PHE c CA 1 ? ? +33928 ATOM C CB . PHE W 19 93 ? -17.289 45.970 17.026 1.00 74.55 ? 111 PHE c CB 1 ? ? +33929 ATOM C CG . PHE W 19 93 ? -18.014 45.801 15.716 1.00 74.57 ? 111 PHE c CG 1 ? ? +33930 ATOM C CD1 . PHE W 19 93 ? -18.892 44.747 15.519 1.00 74.50 ? 111 PHE c CD1 1 ? ? +33931 ATOM C CD2 . PHE W 19 93 ? -17.819 46.694 14.682 1.00 74.76 ? 111 PHE c CD2 1 ? ? +33932 ATOM C CE1 . PHE W 19 93 ? -19.564 44.598 14.318 1.00 74.40 ? 111 PHE c CE1 1 ? ? +33933 ATOM C CE2 . PHE W 19 93 ? -18.492 46.540 13.480 1.00 74.69 ? 111 PHE c CE2 1 ? ? +33934 ATOM C CZ . PHE W 19 93 ? -19.364 45.497 13.307 1.00 74.50 ? 111 PHE c CZ 1 ? ? +33935 ATOM C C . PHE W 19 93 ? -17.337 46.020 19.527 1.00 74.94 ? 111 PHE c C 1 ? ? +33936 ATOM O O . PHE W 19 93 ? -16.821 45.120 20.181 1.00 74.42 ? 111 PHE c O 1 ? ? +33937 ATOM N N . PHE W 19 94 ? -17.239 47.309 19.854 1.00 75.54 ? 112 PHE c N 1 ? ? +33938 ATOM C CA . PHE W 19 94 ? -16.553 47.752 21.054 1.00 75.88 ? 112 PHE c CA 1 ? ? +33939 ATOM C CB . PHE W 19 94 ? -16.635 49.280 21.152 1.00 76.74 ? 112 PHE c CB 1 ? ? +33940 ATOM C CG . PHE W 19 94 ? -15.793 49.862 22.252 1.00 77.21 ? 112 PHE c CG 1 ? ? +33941 ATOM C CD1 . PHE W 19 94 ? -14.413 49.745 22.223 1.00 76.81 ? 112 PHE c CD1 1 ? ? +33942 ATOM C CD2 . PHE W 19 94 ? -16.379 50.521 23.320 1.00 78.02 ? 112 PHE c CD2 1 ? ? +33943 ATOM C CE1 . PHE W 19 94 ? -13.635 50.284 23.241 1.00 77.30 ? 112 PHE c CE1 1 ? ? +33944 ATOM C CE2 . PHE W 19 94 ? -15.603 51.047 24.335 1.00 78.47 ? 112 PHE c CE2 1 ? ? +33945 ATOM C CZ . PHE W 19 94 ? -14.234 50.928 24.290 1.00 78.14 ? 112 PHE c CZ 1 ? ? +33946 ATOM C C . PHE W 19 94 ? -17.131 47.112 22.315 1.00 76.04 ? 112 PHE c C 1 ? ? +33947 ATOM O O . PHE W 19 94 ? -16.384 46.619 23.157 1.00 75.79 ? 112 PHE c O 1 ? ? +33948 ATOM N N . VAL W 19 95 ? -18.464 47.131 22.433 1.00 76.35 ? 113 VAL c N 1 ? ? +33949 ATOM C CA . VAL W 19 95 ? -19.140 46.576 23.594 1.00 76.59 ? 113 VAL c CA 1 ? ? +33950 ATOM C CB . VAL W 19 95 ? -20.665 46.787 23.509 1.00 77.05 ? 113 VAL c CB 1 ? ? +33951 ATOM C CG1 . VAL W 19 95 ? -21.399 45.929 24.527 1.00 77.32 ? 113 VAL c CG1 1 ? ? +33952 ATOM C CG2 . VAL W 19 95 ? -21.024 48.252 23.678 1.00 77.81 ? 113 VAL c CG2 1 ? ? +33953 ATOM C C . VAL W 19 95 ? -18.814 45.096 23.778 1.00 75.93 ? 113 VAL c C 1 ? ? +33954 ATOM O O . VAL W 19 95 ? -18.417 44.684 24.862 1.00 75.95 ? 113 VAL c O 1 ? ? +33955 ATOM N N . VAL W 19 96 ? -19.004 44.303 22.717 1.00 75.45 ? 114 VAL c N 1 ? ? +33956 ATOM C CA . VAL W 19 96 ? -18.762 42.868 22.769 1.00 74.84 ? 114 VAL c CA 1 ? ? +33957 ATOM C CB . VAL W 19 96 ? -19.058 42.178 21.414 1.00 74.19 ? 114 VAL c CB 1 ? ? +33958 ATOM C CG1 . VAL W 19 96 ? -18.222 40.913 21.203 1.00 73.32 ? 114 VAL c CG1 1 ? ? +33959 ATOM C CG2 . VAL W 19 96 ? -20.541 41.859 21.274 1.00 74.65 ? 114 VAL c CG2 1 ? ? +33960 ATOM C C . VAL W 19 96 ? -17.335 42.601 23.237 1.00 74.66 ? 114 VAL c C 1 ? ? +33961 ATOM O O . VAL W 19 96 ? -17.114 41.701 24.038 1.00 75.00 ? 114 VAL c O 1 ? ? +33962 ATOM N N . GLY W 19 97 ? -16.377 43.384 22.731 1.00 74.38 ? 115 GLY c N 1 ? ? +33963 ATOM C CA . GLY W 19 97 ? -14.984 43.240 23.118 1.00 74.04 ? 115 GLY c CA 1 ? ? +33964 ATOM C C . GLY W 19 97 ? -14.742 43.532 24.597 1.00 74.71 ? 115 GLY c C 1 ? ? +33965 ATOM O O . GLY W 19 97 ? -14.166 42.711 25.303 1.00 74.57 ? 115 GLY c O 1 ? ? +33966 ATOM N N . VAL W 19 98 ? -15.201 44.704 25.049 1.00 75.58 ? 116 VAL c N 1 ? ? +33967 ATOM C CA . VAL W 19 98 ? -15.040 45.132 26.430 1.00 76.30 ? 116 VAL c CA 1 ? ? +33968 ATOM C CB . VAL W 19 98 ? -15.618 46.564 26.626 1.00 77.18 ? 116 VAL c CB 1 ? ? +33969 ATOM C CG1 . VAL W 19 98 ? -15.762 46.929 28.101 1.00 77.91 ? 116 VAL c CG1 1 ? ? +33970 ATOM C CG2 . VAL W 19 98 ? -14.767 47.598 25.900 1.00 77.17 ? 116 VAL c CG2 1 ? ? +33971 ATOM C C . VAL W 19 98 ? -15.656 44.152 27.428 1.00 76.39 ? 116 VAL c C 1 ? ? +33972 ATOM O O . VAL W 19 98 ? -15.000 43.787 28.396 1.00 76.45 ? 116 VAL c O 1 ? ? +33973 ATOM N N . VAL W 19 99 ? -16.908 43.735 27.198 1.00 76.38 ? 117 VAL c N 1 ? ? +33974 ATOM C CA . VAL W 19 99 ? -17.626 42.911 28.160 1.00 76.56 ? 117 VAL c CA 1 ? ? +33975 ATOM C CB . VAL W 19 99 ? -19.125 42.721 27.804 1.00 76.70 ? 117 VAL c CB 1 ? ? +33976 ATOM C CG1 . VAL W 19 99 ? -19.835 41.868 28.846 1.00 77.05 ? 117 VAL c CG1 1 ? ? +33977 ATOM C CG2 . VAL W 19 99 ? -19.842 44.059 27.656 1.00 77.37 ? 117 VAL c CG2 1 ? ? +33978 ATOM C C . VAL W 19 99 ? -16.910 41.571 28.328 1.00 75.90 ? 117 VAL c C 1 ? ? +33979 ATOM O O . VAL W 19 99 ? -16.747 41.088 29.445 1.00 76.32 ? 117 VAL c O 1 ? ? +33980 ATOM N N . HIS W 19 100 ? -16.466 40.986 27.211 1.00 75.11 ? 118 HIS c N 1 ? ? +33981 ATOM C CA . HIS W 19 100 ? -15.646 39.785 27.254 1.00 74.37 ? 118 HIS c CA 1 ? ? +33982 ATOM C CB . HIS W 19 100 ? -15.265 39.348 25.845 1.00 73.72 ? 118 HIS c CB 1 ? ? +33983 ATOM C CG . HIS W 19 100 ? -16.342 38.554 25.179 1.00 73.63 ? 118 HIS c CG 1 ? ? +33984 ATOM N ND1 . HIS W 19 100 ? -16.508 37.229 25.463 1.00 73.44 ? 118 HIS c ND1 1 ? ? +33985 ATOM C CE1 . HIS W 19 100 ? -17.518 36.826 24.725 1.00 73.27 ? 118 HIS c CE1 1 ? ? +33986 ATOM N NE2 . HIS W 19 100 ? -18.001 37.820 23.982 1.00 73.49 ? 118 HIS c NE2 1 ? ? +33987 ATOM C CD2 . HIS W 19 100 ? -17.259 38.922 24.261 1.00 73.67 ? 118 HIS c CD2 1 ? ? +33988 ATOM C C . HIS W 19 100 ? -14.379 39.974 28.081 1.00 74.12 ? 118 HIS c C 1 ? ? +33989 ATOM O O . HIS W 19 100 ? -14.072 39.172 28.954 1.00 73.82 ? 118 HIS c O 1 ? ? +33990 ATOM N N . LEU W 19 101 ? -13.659 41.057 27.801 1.00 74.15 ? 119 LEU c N 1 ? ? +33991 ATOM C CA . LEU W 19 101 ? -12.402 41.328 28.470 1.00 74.15 ? 119 LEU c CA 1 ? ? +33992 ATOM C CB . LEU W 19 101 ? -11.738 42.537 27.803 1.00 74.23 ? 119 LEU c CB 1 ? ? +33993 ATOM C CG . LEU W 19 101 ? -10.346 42.883 28.275 1.00 74.31 ? 119 LEU c CG 1 ? ? +33994 ATOM C CD1 . LEU W 19 101 ? -9.389 41.736 28.076 1.00 73.59 ? 119 LEU c CD1 1 ? ? +33995 ATOM C CD2 . LEU W 19 101 ? -9.814 44.092 27.549 1.00 74.42 ? 119 LEU c CD2 1 ? ? +33996 ATOM C C . LEU W 19 101 ? -12.583 41.547 29.972 1.00 74.97 ? 119 LEU c C 1 ? ? +33997 ATOM O O . LEU W 19 101 ? -11.801 41.024 30.759 1.00 74.98 ? 119 LEU c O 1 ? ? +33998 ATOM N N . ILE W 19 102 ? -13.618 42.304 30.368 1.00 75.71 ? 120 ILE c N 1 ? ? +33999 ATOM C CA . ILE W 19 102 ? -13.920 42.517 31.778 1.00 76.40 ? 120 ILE c CA 1 ? ? +34000 ATOM C CB . ILE W 19 102 ? -15.053 43.562 31.995 1.00 77.31 ? 120 ILE c CB 1 ? ? +34001 ATOM C CG1 . ILE W 19 102 ? -14.651 44.973 31.515 1.00 77.68 ? 120 ILE c CG1 1 ? ? +34002 ATOM C CG2 . ILE W 19 102 ? -15.528 43.608 33.456 1.00 78.08 ? 120 ILE c CG2 1 ? ? +34003 ATOM C CD1 . ILE W 19 102 ? -13.389 45.515 32.090 1.00 77.90 ? 120 ILE c CD1 1 ? ? +34004 ATOM C C . ILE W 19 102 ? -14.284 41.197 32.455 1.00 76.18 ? 120 ILE c C 1 ? ? +34005 ATOM O O . ILE W 19 102 ? -13.828 40.925 33.566 1.00 76.49 ? 120 ILE c O 1 ? ? +34006 ATOM N N . SER W 19 103 ? -15.108 40.386 31.780 1.00 75.63 ? 121 SER c N 1 ? ? +34007 ATOM C CA . SER W 19 103 ? -15.564 39.124 32.340 1.00 75.46 ? 121 SER c CA 1 ? ? +34008 ATOM C CB . SER W 19 103 ? -16.648 38.506 31.464 1.00 75.27 ? 121 SER c CB 1 ? ? +34009 ATOM O OG . SER W 19 103 ? -17.798 39.339 31.408 1.00 75.86 ? 121 SER c OG 1 ? ? +34010 ATOM C C . SER W 19 103 ? -14.431 38.123 32.550 1.00 74.62 ? 121 SER c C 1 ? ? +34011 ATOM O O . SER W 19 103 ? -14.526 37.277 33.432 1.00 74.64 ? 121 SER c O 1 ? ? +34012 ATOM N N . SER W 19 104 ? -13.367 38.228 31.741 1.00 73.90 ? 122 SER c N 1 ? ? +34013 ATOM C CA . SER W 19 104 ? -12.210 37.348 31.856 1.00 73.30 ? 122 SER c CA 1 ? ? +34014 ATOM C CB . SER W 19 104 ? -11.218 37.589 30.724 1.00 72.50 ? 122 SER c CB 1 ? ? +34015 ATOM O OG . SER W 19 104 ? -10.559 38.836 30.848 1.00 72.83 ? 122 SER c OG 1 ? ? +34016 ATOM C C . SER W 19 104 ? -11.495 37.488 33.198 1.00 73.88 ? 122 SER c C 1 ? ? +34017 ATOM O O . SER W 19 104 ? -10.998 36.506 33.742 1.00 73.67 ? 122 SER c O 1 ? ? +34018 ATOM N N . ALA W 19 105 ? -11.454 38.716 33.723 1.00 74.72 ? 123 ALA c N 1 ? ? +34019 ATOM C CA . ALA W 19 105 ? -10.896 38.978 35.039 1.00 75.42 ? 123 ALA c CA 1 ? ? +34020 ATOM C CB . ALA W 19 105 ? -10.888 40.475 35.297 1.00 76.12 ? 123 ALA c CB 1 ? ? +34021 ATOM C C . ALA W 19 105 ? -11.648 38.250 36.157 1.00 76.04 ? 123 ALA c C 1 ? ? +34022 ATOM O O . ALA W 19 105 ? -11.016 37.739 37.079 1.00 76.18 ? 123 ALA c O 1 ? ? +34023 ATOM N N . VAL W 19 106 ? -12.991 38.214 36.078 1.00 76.42 ? 124 VAL c N 1 ? ? +34024 ATOM C CA . VAL W 19 106 ? -13.799 37.488 37.045 1.00 76.92 ? 124 VAL c CA 1 ? ? +34025 ATOM C CB . VAL W 19 106 ? -15.320 37.701 36.814 1.00 77.26 ? 124 VAL c CB 1 ? ? +34026 ATOM C CG1 . VAL W 19 106 ? -16.167 36.759 37.677 1.00 77.63 ? 124 VAL c CG1 1 ? ? +34027 ATOM C CG2 . VAL W 19 106 ? -15.718 39.152 37.061 1.00 77.92 ? 124 VAL c CG2 1 ? ? +34028 ATOM C C . VAL W 19 106 ? -13.441 36.004 37.022 1.00 76.55 ? 124 VAL c C 1 ? ? +34029 ATOM O O . VAL W 19 106 ? -13.213 35.408 38.069 1.00 76.96 ? 124 VAL c O 1 ? ? +34030 ATOM N N . LEU W 19 107 ? -13.403 35.415 35.819 1.00 76.01 ? 125 LEU c N 1 ? ? +34031 ATOM C CA . LEU W 19 107 ? -13.092 34.003 35.661 1.00 75.57 ? 125 LEU c CA 1 ? ? +34032 ATOM C CB . LEU W 19 107 ? -13.327 33.558 34.202 1.00 74.68 ? 125 LEU c CB 1 ? ? +34033 ATOM C CG . LEU W 19 107 ? -14.774 33.600 33.688 1.00 74.69 ? 125 LEU c CG 1 ? ? +34034 ATOM C CD1 . LEU W 19 107 ? -14.871 32.994 32.312 1.00 73.86 ? 125 LEU c CD1 1 ? ? +34035 ATOM C CD2 . LEU W 19 107 ? -15.733 32.877 34.624 1.00 75.15 ? 125 LEU c CD2 1 ? ? +34036 ATOM C C . LEU W 19 107 ? -11.648 33.709 36.065 1.00 75.74 ? 125 LEU c C 1 ? ? +34037 ATOM O O . LEU W 19 107 ? -11.381 32.728 36.754 1.00 75.56 ? 125 LEU c O 1 ? ? +34038 ATOM N N . GLY W 19 108 ? -10.718 34.560 35.615 1.00 76.08 ? 126 GLY c N 1 ? ? +34039 ATOM C CA . GLY W 19 108 ? -9.326 34.466 36.019 1.00 76.23 ? 126 GLY c CA 1 ? ? +34040 ATOM C C . GLY W 19 108 ? -9.184 34.459 37.537 1.00 77.39 ? 126 GLY c C 1 ? ? +34041 ATOM O O . GLY W 19 108 ? -8.428 33.665 38.084 1.00 77.54 ? 126 GLY c O 1 ? ? +34042 ATOM N N . PHE W 19 109 ? -9.942 35.335 38.203 1.00 78.64 ? 127 PHE c N 1 ? ? +34043 ATOM C CA . PHE W 19 109 ? -9.903 35.455 39.650 1.00 80.02 ? 127 PHE c CA 1 ? ? +34044 ATOM C CB . PHE W 19 109 ? -10.777 36.620 40.108 1.00 81.50 ? 127 PHE c CB 1 ? ? +34045 ATOM C CG . PHE W 19 109 ? -10.582 36.985 41.551 1.00 83.08 ? 127 PHE c CG 1 ? ? +34046 ATOM C CD1 . PHE W 19 109 ? -9.560 37.835 41.931 1.00 83.87 ? 127 PHE c CD1 1 ? ? +34047 ATOM C CD2 . PHE W 19 109 ? -11.416 36.471 42.531 1.00 84.22 ? 127 PHE c CD2 1 ? ? +34048 ATOM C CE1 . PHE W 19 109 ? -9.383 38.180 43.261 1.00 85.21 ? 127 PHE c CE1 1 ? ? +34049 ATOM C CE2 . PHE W 19 109 ? -11.234 36.810 43.863 1.00 85.52 ? 127 PHE c CE2 1 ? ? +34050 ATOM C CZ . PHE W 19 109 ? -10.220 37.666 44.221 1.00 86.01 ? 127 PHE c CZ 1 ? ? +34051 ATOM C C . PHE W 19 109 ? -10.369 34.177 40.338 1.00 80.00 ? 127 PHE c C 1 ? ? +34052 ATOM O O . PHE W 19 109 ? -9.718 33.685 41.254 1.00 80.03 ? 127 PHE c O 1 ? ? +34053 ATOM N N . GLY W 19 110 ? -11.522 33.664 39.906 1.00 80.05 ? 128 GLY c N 1 ? ? +34054 ATOM C CA . GLY W 19 110 ? -12.045 32.416 40.434 1.00 80.14 ? 128 GLY c CA 1 ? ? +34055 ATOM C C . GLY W 19 110 ? -11.097 31.263 40.134 1.00 79.42 ? 128 GLY c C 1 ? ? +34056 ATOM O O . GLY W 19 110 ? -10.858 30.411 40.983 1.00 79.87 ? 128 GLY c O 1 ? ? +34057 ATOM N N . GLY W 19 111 ? -10.560 31.260 38.912 1.00 78.65 ? 129 GLY c N 1 ? ? +34058 ATOM C CA . GLY W 19 111 ? -9.620 30.243 38.479 1.00 78.04 ? 129 GLY c CA 1 ? ? +34059 ATOM C C . GLY W 19 111 ? -8.406 30.165 39.396 1.00 78.40 ? 129 GLY c C 1 ? ? +34060 ATOM O O . GLY W 19 111 ? -8.062 29.089 39.878 1.00 78.44 ? 129 GLY c O 1 ? ? +34061 ATOM N N . VAL W 19 112 ? -7.782 31.320 39.649 1.00 78.84 ? 130 VAL c N 1 ? ? +34062 ATOM C CA . VAL W 19 112 ? -6.586 31.375 40.471 1.00 79.33 ? 130 VAL c CA 1 ? ? +34063 ATOM C CB . VAL W 19 112 ? -5.875 32.741 40.339 1.00 79.84 ? 130 VAL c CB 1 ? ? +34064 ATOM C CG1 . VAL W 19 112 ? -4.678 32.837 41.285 1.00 80.18 ? 130 VAL c CG1 1 ? ? +34065 ATOM C CG2 . VAL W 19 112 ? -5.436 32.988 38.897 1.00 79.29 ? 130 VAL c CG2 1 ? ? +34066 ATOM C C . VAL W 19 112 ? -6.914 31.039 41.924 1.00 79.90 ? 130 VAL c C 1 ? ? +34067 ATOM O O . VAL W 19 112 ? -6.141 30.363 42.592 1.00 79.88 ? 130 VAL c O 1 ? ? +34068 ATOM N N . TYR W 19 113 ? -8.067 31.504 42.410 1.00 80.25 ? 131 TYR c N 1 ? ? +34069 ATOM C CA . TYR W 19 113 ? -8.502 31.160 43.752 1.00 80.93 ? 131 TYR c CA 1 ? ? +34070 ATOM C CB . TYR W 19 113 ? -9.856 31.795 44.080 1.00 81.54 ? 131 TYR c CB 1 ? ? +34071 ATOM C CG . TYR W 19 113 ? -10.488 31.155 45.291 1.00 82.21 ? 131 TYR c CG 1 ? ? +34072 ATOM C CD1 . TYR W 19 113 ? -9.939 31.320 46.554 1.00 82.85 ? 131 TYR c CD1 1 ? ? +34073 ATOM C CD2 . TYR W 19 113 ? -11.598 30.330 45.165 1.00 82.20 ? 131 TYR c CD2 1 ? ? +34074 ATOM C CE1 . TYR W 19 113 ? -10.502 30.715 47.668 1.00 83.53 ? 131 TYR c CE1 1 ? ? +34075 ATOM C CE2 . TYR W 19 113 ? -12.167 29.712 46.271 1.00 82.83 ? 131 TYR c CE2 1 ? ? +34076 ATOM C CZ . TYR W 19 113 ? -11.619 29.914 47.526 1.00 83.46 ? 131 TYR c CZ 1 ? ? +34077 ATOM O OH . TYR W 19 113 ? -12.174 29.319 48.631 1.00 83.98 ? 131 TYR c OH 1 ? ? +34078 ATOM C C . TYR W 19 113 ? -8.573 29.644 43.942 1.00 80.60 ? 131 TYR c C 1 ? ? +34079 ATOM O O . TYR W 19 113 ? -7.920 29.093 44.827 1.00 80.98 ? 131 TYR c O 1 ? ? +34080 ATOM N N . HIS W 19 114 ? -9.370 28.970 43.108 1.00 79.91 ? 132 HIS c N 1 ? ? +34081 ATOM C CA . HIS W 19 114 ? -9.541 27.532 43.229 1.00 79.53 ? 132 HIS c CA 1 ? ? +34082 ATOM C CB . HIS W 19 114 ? -10.609 27.057 42.261 1.00 78.79 ? 132 HIS c CB 1 ? ? +34083 ATOM C CG . HIS W 19 114 ? -11.994 27.301 42.766 1.00 79.38 ? 132 HIS c CG 1 ? ? +34084 ATOM N ND1 . HIS W 19 114 ? -12.468 26.649 43.880 1.00 79.99 ? 132 HIS c ND1 1 ? ? +34085 ATOM C CE1 . HIS W 19 114 ? -13.701 27.085 44.057 1.00 80.45 ? 132 HIS c CE1 1 ? ? +34086 ATOM N NE2 . HIS W 19 114 ? -14.030 27.977 43.122 1.00 80.24 ? 132 HIS c NE2 1 ? ? +34087 ATOM C CD2 . HIS W 19 114 ? -12.952 28.122 42.297 1.00 79.49 ? 132 HIS c CD2 1 ? ? +34088 ATOM C C . HIS W 19 114 ? -8.244 26.766 42.993 1.00 79.10 ? 132 HIS c C 1 ? ? +34089 ATOM O O . HIS W 19 114 ? -8.007 25.727 43.601 1.00 79.21 ? 132 HIS c O 1 ? ? +34090 ATOM N N . ALA W 19 115 ? -7.410 27.299 42.102 1.00 78.93 ? 133 ALA c N 1 ? ? +34091 ATOM C CA . ALA W 19 115 ? -6.186 26.632 41.703 1.00 78.79 ? 133 ALA c CA 1 ? ? +34092 ATOM C CB . ALA W 19 115 ? -5.647 27.265 40.429 1.00 78.08 ? 133 ALA c CB 1 ? ? +34093 ATOM C C . ALA W 19 115 ? -5.090 26.617 42.770 1.00 79.84 ? 133 ALA c C 1 ? ? +34094 ATOM O O . ALA W 19 115 ? -4.330 25.659 42.834 1.00 79.86 ? 133 ALA c O 1 ? ? +34095 ATOM N N A ILE W 19 116 ? -4.980 27.674 43.586 0.50 80.76 ? 134 ILE c N 1 ? ? +34096 ATOM N N B ILE W 19 116 ? -5.003 27.682 43.576 0.50 80.68 ? 134 ILE c N 1 ? ? +34097 ATOM C CA A ILE W 19 116 ? -3.890 27.751 44.551 0.50 81.34 ? 134 ILE c CA 1 ? ? +34098 ATOM C CA B ILE W 19 116 ? -3.933 27.813 44.553 0.50 81.24 ? 134 ILE c CA 1 ? ? +34099 ATOM C C A ILE W 19 116 ? -4.288 28.111 45.983 0.50 82.48 ? 134 ILE c C 1 ? ? +34100 ATOM C C B ILE W 19 116 ? -4.448 27.830 45.987 0.50 82.37 ? 134 ILE c C 1 ? ? +34101 ATOM O O A ILE W 19 116 ? -3.472 27.945 46.886 0.50 82.99 ? 134 ILE c O 1 ? ? +34102 ATOM O O B ILE W 19 116 ? -3.895 27.163 46.859 0.50 82.76 ? 134 ILE c O 1 ? ? +34103 ATOM C CB A ILE W 19 116 ? -2.779 28.723 44.039 0.50 81.18 ? 134 ILE c CB 1 ? ? +34104 ATOM C CB B ILE W 19 116 ? -3.121 29.085 44.247 0.50 81.20 ? 134 ILE c CB 1 ? ? +34105 ATOM C CG1 A ILE W 19 116 ? -3.209 30.192 44.156 0.50 81.61 ? 134 ILE c CG1 1 ? ? +34106 ATOM C CG1 B ILE W 19 116 ? -2.319 28.902 42.953 0.50 80.24 ? 134 ILE c CG1 1 ? ? +34107 ATOM C CG2 A ILE W 19 116 ? -2.336 28.364 42.606 0.50 80.18 ? 134 ILE c CG2 1 ? ? +34108 ATOM C CG2 B ILE W 19 116 ? -2.223 29.473 45.419 0.50 81.85 ? 134 ILE c CG2 1 ? ? +34109 ATOM C CD1 A ILE W 19 116 ? -2.218 31.181 43.574 0.50 81.36 ? 134 ILE c CD1 1 ? ? +34110 ATOM C CD1 B ILE W 19 116 ? -1.530 30.023 42.618 0.50 80.19 ? 134 ILE c CD1 1 ? ? +34111 ATOM N N . ARG W 19 117 ? -5.523 28.591 46.200 1.00 82.99 ? 135 ARG c N 1 ? ? +34112 ATOM C CA . ARG W 19 117 ? -5.975 28.946 47.539 1.00 84.36 ? 135 ARG c CA 1 ? ? +34113 ATOM C CB . ARG W 19 117 ? -6.421 30.425 47.560 1.00 86.01 ? 135 ARG c CB 1 ? ? +34114 ATOM C CG . ARG W 19 117 ? -6.618 30.999 48.960 1.00 88.12 ? 135 ARG c CG 1 ? ? +34115 ATOM C CD . ARG W 19 117 ? -5.343 30.958 49.803 1.00 89.45 ? 135 ARG c CD 1 ? ? +34116 ATOM N NE . ARG W 19 117 ? -5.621 31.295 51.193 1.00 91.57 ? 135 ARG c NE 1 ? ? +34117 ATOM C CZ . ARG W 19 117 ? -5.583 30.439 52.209 1.00 92.73 ? 135 ARG c CZ 1 ? ? +34118 ATOM N NH1 . ARG W 19 117 ? -5.283 29.160 52.031 1.00 92.29 ? 135 ARG c NH1 1 ? ? +34119 ATOM N NH2 . ARG W 19 117 ? -5.866 30.877 53.432 1.00 94.02 ? 135 ARG c NH2 1 ? ? +34120 ATOM C C . ARG W 19 117 ? -7.107 28.080 48.087 1.00 84.01 ? 135 ARG c C 1 ? ? +34121 ATOM O O . ARG W 19 117 ? -7.120 27.750 49.269 1.00 84.51 ? 135 ARG c O 1 ? ? +34122 ATOM N N . GLY W 19 118 ? -8.085 27.758 47.239 1.00 83.05 ? 136 GLY c N 1 ? ? +34123 ATOM C CA . GLY W 19 118 ? -9.294 27.093 47.690 1.00 82.96 ? 136 GLY c CA 1 ? ? +34124 ATOM C C . GLY W 19 118 ? -9.035 25.657 48.120 1.00 82.53 ? 136 GLY c C 1 ? ? +34125 ATOM O O . GLY W 19 118 ? -7.896 25.199 48.097 1.00 82.10 ? 136 GLY c O 1 ? ? +34126 ATOM N N . PRO W 19 119 ? -10.084 24.906 48.518 1.00 82.68 ? 137 PRO c N 1 ? ? +34127 ATOM C CA . PRO W 19 119 ? -9.916 23.506 48.894 1.00 82.49 ? 137 PRO c CA 1 ? ? +34128 ATOM C CB . PRO W 19 119 ? -11.319 23.078 49.330 1.00 83.06 ? 137 PRO c CB 1 ? ? +34129 ATOM C CG . PRO W 19 119 ? -12.256 24.060 48.657 1.00 83.12 ? 137 PRO c CG 1 ? ? +34130 ATOM C CD . PRO W 19 119 ? -11.486 25.350 48.581 1.00 83.22 ? 137 PRO c CD 1 ? ? +34131 ATOM C C . PRO W 19 119 ? -9.397 22.719 47.700 1.00 81.42 ? 137 PRO c C 1 ? ? +34132 ATOM O O . PRO W 19 119 ? -9.816 22.958 46.571 1.00 81.05 ? 137 PRO c O 1 ? ? +34133 ATOM N N . GLU W 19 120 ? -8.472 21.798 47.967 1.00 81.33 ? 138 GLU c N 1 ? ? +34134 ATOM C CA . GLU W 19 120 ? -7.827 21.022 46.923 1.00 80.45 ? 138 GLU c CA 1 ? ? +34135 ATOM C CB . GLU W 19 120 ? -6.545 20.411 47.494 1.00 80.48 ? 138 GLU c CB 1 ? ? +34136 ATOM C CG . GLU W 19 120 ? -5.443 20.250 46.477 1.00 79.71 ? 138 GLU c CG 1 ? ? +34137 ATOM C CD . GLU W 19 120 ? -4.071 20.087 47.081 1.00 80.05 ? 138 GLU c CD 1 ? ? +34138 ATOM O OE1 . GLU W 19 120 ? -3.582 21.072 47.675 1.00 80.88 ? 138 GLU c OE1 1 ? ? +34139 ATOM O OE2 . GLU W 19 120 ? -3.480 18.989 46.963 1.00 79.81 ? 138 GLU c OE2 1 ? ? +34140 ATOM C C . GLU W 19 120 ? -8.762 19.943 46.375 1.00 80.21 ? 138 GLU c C 1 ? ? +34141 ATOM O O . GLU W 19 120 ? -8.738 19.650 45.180 1.00 79.40 ? 138 GLU c O 1 ? ? +34142 ATOM N N . THR W 19 121 ? -9.558 19.342 47.270 1.00 81.10 ? 139 THR c N 1 ? ? +34143 ATOM C CA . THR W 19 121 ? -10.618 18.415 46.903 1.00 81.33 ? 139 THR c CA 1 ? ? +34144 ATOM C CB . THR W 19 121 ? -10.347 17.016 47.486 1.00 81.38 ? 139 THR c CB 1 ? ? +34145 ATOM O OG1 . THR W 19 121 ? -10.403 17.070 48.910 1.00 82.55 ? 139 THR c OG1 1 ? ? +34146 ATOM C CG2 . THR W 19 121 ? -9.002 16.461 47.067 1.00 80.48 ? 139 THR c CG2 1 ? ? +34147 ATOM C C . THR W 19 121 ? -11.940 19.005 47.386 1.00 82.72 ? 139 THR c C 1 ? ? +34148 ATOM O O . THR W 19 121 ? -11.966 19.708 48.392 1.00 83.84 ? 139 THR c O 1 ? ? +34149 ATOM N N . LEU W 19 122 ? -13.036 18.720 46.673 1.00 83.22 ? 140 LEU c N 1 ? ? +34150 ATOM C CA . LEU W 19 122 ? -14.336 19.303 46.986 1.00 84.07 ? 140 LEU c CA 1 ? ? +34151 ATOM C CB . LEU W 19 122 ? -15.023 19.745 45.686 1.00 83.51 ? 140 LEU c CB 1 ? ? +34152 ATOM C CG . LEU W 19 122 ? -14.241 20.745 44.834 1.00 82.83 ? 140 LEU c CG 1 ? ? +34153 ATOM C CD1 . LEU W 19 122 ? -14.980 21.052 43.556 1.00 82.36 ? 140 LEU c CD1 1 ? ? +34154 ATOM C CD2 . LEU W 19 122 ? -13.934 21.998 45.618 1.00 83.51 ? 140 LEU c CD2 1 ? ? +34155 ATOM C C . LEU W 19 122 ? -15.268 18.347 47.728 1.00 85.02 ? 140 LEU c C 1 ? ? +34156 ATOM O O . LEU W 19 122 ? -16.330 18.755 48.193 1.00 86.17 ? 140 LEU c O 1 ? ? +34157 ATOM N N . GLU W 19 123 ? -14.860 17.080 47.846 1.00 85.40 ? 141 GLU c N 1 ? ? +34158 ATOM C CA . GLU W 19 123 ? -15.754 16.038 48.323 1.00 86.66 ? 141 GLU c CA 1 ? ? +34159 ATOM C CB . GLU W 19 123 ? -15.204 14.647 47.984 1.00 85.74 ? 141 GLU c CB 1 ? ? +34160 ATOM C CG . GLU W 19 123 ? -15.242 14.331 46.502 1.00 84.64 ? 141 GLU c CG 1 ? ? +34161 ATOM C CD . GLU W 19 123 ? -14.295 15.158 45.651 1.00 84.02 ? 141 GLU c CD 1 ? ? +34162 ATOM O OE1 . GLU W 19 123 ? -13.101 15.259 46.024 1.00 83.64 ? 141 GLU c OE1 1 ? ? +34163 ATOM O OE2 . GLU W 19 123 ? -14.741 15.698 44.611 1.00 83.59 ? 141 GLU c OE2 1 ? ? +34164 ATOM C C . GLU W 19 123 ? -16.026 16.161 49.821 1.00 89.15 ? 141 GLU c C 1 ? ? +34165 ATOM O O . GLU W 19 123 ? -17.124 15.825 50.265 1.00 90.13 ? 141 GLU c O 1 ? ? +34166 ATOM N N . GLU W 19 124 ? -15.034 16.649 50.586 1.00 90.72 ? 142 GLU c N 1 ? ? +34167 ATOM C CA . GLU W 19 124 ? -15.205 16.898 52.010 1.00 92.51 ? 142 GLU c CA 1 ? ? +34168 ATOM C CB . GLU W 19 124 ? -13.873 17.046 52.769 1.00 93.07 ? 142 GLU c CB 1 ? ? +34169 ATOM C CG . GLU W 19 124 ? -12.927 15.865 52.673 1.00 93.13 ? 142 GLU c CG 1 ? ? +34170 ATOM C CD . GLU W 19 124 ? -12.032 15.850 51.448 1.00 92.62 ? 142 GLU c CD 1 ? ? +34171 ATOM O OE1 . GLU W 19 124 ? -12.284 16.624 50.494 1.00 92.13 ? 142 GLU c OE1 1 ? ? +34172 ATOM O OE2 . GLU W 19 124 ? -11.047 15.075 51.461 1.00 93.04 ? 142 GLU c OE2 1 ? ? +34173 ATOM C C . GLU W 19 124 ? -15.998 18.178 52.245 1.00 93.81 ? 142 GLU c C 1 ? ? +34174 ATOM O O . GLU W 19 124 ? -16.757 18.262 53.208 1.00 95.80 ? 142 GLU c O 1 ? ? +34175 ATOM N N . TYR W 19 125 ? -15.799 19.170 51.367 1.00 93.77 ? 143 TYR c N 1 ? ? +34176 ATOM C CA . TYR W 19 125 ? -16.465 20.455 51.487 1.00 95.03 ? 143 TYR c CA 1 ? ? +34177 ATOM C CB . TYR W 19 125 ? -15.807 21.501 50.566 1.00 95.32 ? 143 TYR c CB 1 ? ? +34178 ATOM C CG . TYR W 19 125 ? -16.564 22.812 50.553 1.00 96.86 ? 143 TYR c CG 1 ? ? +34179 ATOM C CD2 . TYR W 19 125 ? -17.456 23.114 49.530 1.00 96.82 ? 143 TYR c CD2 1 ? ? +34180 ATOM C CD1 . TYR W 19 125 ? -16.402 23.744 51.569 1.00 98.00 ? 143 TYR c CD1 1 ? ? +34181 ATOM C CE2 . TYR W 19 125 ? -18.170 24.308 49.522 1.00 97.68 ? 143 TYR c CE2 1 ? ? +34182 ATOM C CE1 . TYR W 19 125 ? -17.114 24.938 51.574 1.00 99.08 ? 143 TYR c CE1 1 ? ? +34183 ATOM C CZ . TYR W 19 125 ? -17.996 25.219 50.548 1.00 99.04 ? 143 TYR c CZ 1 ? ? +34184 ATOM O OH . TYR W 19 125 ? -18.693 26.405 50.564 1.00 100.78 ? 143 TYR c OH 1 ? ? +34185 ATOM C C . TYR W 19 125 ? -17.958 20.374 51.170 1.00 95.22 ? 143 TYR c C 1 ? ? +34186 ATOM O O . TYR W 19 125 ? -18.780 20.947 51.885 1.00 96.40 ? 143 TYR c O 1 ? ? +34187 ATOM N N . SER W 19 126 ? -18.297 19.677 50.078 1.00 94.30 ? 144 SER c N 1 ? ? +34188 ATOM C CA . SER W 19 126 ? -19.665 19.620 49.597 1.00 94.06 ? 144 SER c CA 1 ? ? +34189 ATOM C CB . SER W 19 126 ? -19.955 20.820 48.714 1.00 93.80 ? 144 SER c CB 1 ? ? +34190 ATOM O OG . SER W 19 126 ? -21.202 20.660 48.069 1.00 94.26 ? 144 SER c OG 1 ? ? +34191 ATOM C C . SER W 19 126 ? -19.949 18.349 48.810 1.00 93.04 ? 144 SER c C 1 ? ? +34192 ATOM O O . SER W 19 126 ? -19.232 18.031 47.866 1.00 92.70 ? 144 SER c O 1 ? ? +34193 ATOM N N . SER W 19 127 ? -21.027 17.663 49.205 1.00 92.94 ? 145 SER c N 1 ? ? +34194 ATOM C CA . SER W 19 127 ? -21.565 16.528 48.477 1.00 92.44 ? 145 SER c CA 1 ? ? +34195 ATOM C CB . SER W 19 127 ? -22.736 15.948 49.275 1.00 93.70 ? 145 SER c CB 1 ? ? +34196 ATOM O OG . SER W 19 127 ? -23.374 14.845 48.657 1.00 93.93 ? 145 SER c OG 1 ? ? +34197 ATOM C C . SER W 19 127 ? -22.003 16.936 47.070 1.00 91.41 ? 145 SER c C 1 ? ? +34198 ATOM O O . SER W 19 127 ? -21.896 16.153 46.129 1.00 91.02 ? 145 SER c O 1 ? ? +34199 ATOM N N . PHE W 19 128 ? -22.506 18.171 46.945 1.00 91.15 ? 146 PHE c N 1 ? ? +34200 ATOM C CA . PHE W 19 128 ? -23.055 18.669 45.695 1.00 90.05 ? 146 PHE c CA 1 ? ? +34201 ATOM C CB . PHE W 19 128 ? -23.837 19.972 45.933 1.00 91.18 ? 146 PHE c CB 1 ? ? +34202 ATOM C CG . PHE W 19 128 ? -24.431 20.538 44.672 1.00 91.75 ? 146 PHE c CG 1 ? ? +34203 ATOM C CD1 . PHE W 19 128 ? -25.568 19.982 44.113 1.00 92.18 ? 146 PHE c CD1 1 ? ? +34204 ATOM C CD2 . PHE W 19 128 ? -23.825 21.600 44.018 1.00 91.99 ? 146 PHE c CD2 1 ? ? +34205 ATOM C CE1 . PHE W 19 128 ? -26.101 20.494 42.937 1.00 92.22 ? 146 PHE c CE1 1 ? ? +34206 ATOM C CE2 . PHE W 19 128 ? -24.360 22.105 42.839 1.00 91.81 ? 146 PHE c CE2 1 ? ? +34207 ATOM C CZ . PHE W 19 128 ? -25.493 21.548 42.307 1.00 91.82 ? 146 PHE c CZ 1 ? ? +34208 ATOM C C . PHE W 19 128 ? -21.962 18.879 44.649 1.00 87.65 ? 146 PHE c C 1 ? ? +34209 ATOM O O . PHE W 19 128 ? -22.012 18.273 43.583 1.00 86.36 ? 146 PHE c O 1 ? ? +34210 ATOM N N . PHE W 19 129 ? -20.982 19.732 44.964 1.00 86.62 ? 147 PHE c N 1 ? ? +34211 ATOM C CA . PHE W 19 129 ? -19.923 20.069 44.025 1.00 85.10 ? 147 PHE c CA 1 ? ? +34212 ATOM C CB . PHE W 19 129 ? -19.243 21.384 44.419 1.00 85.45 ? 147 PHE c CB 1 ? ? +34213 ATOM C CG . PHE W 19 129 ? -20.142 22.581 44.297 1.00 86.04 ? 147 PHE c CG 1 ? ? +34214 ATOM C CD1 . PHE W 19 129 ? -20.523 23.056 43.056 1.00 85.65 ? 147 PHE c CD1 1 ? ? +34215 ATOM C CD2 . PHE W 19 129 ? -20.620 23.226 45.425 1.00 87.19 ? 147 PHE c CD2 1 ? ? +34216 ATOM C CE1 . PHE W 19 129 ? -21.363 24.163 42.947 1.00 86.36 ? 147 PHE c CE1 1 ? ? +34217 ATOM C CE2 . PHE W 19 129 ? -21.465 24.322 45.316 1.00 87.74 ? 147 PHE c CE2 1 ? ? +34218 ATOM C CZ . PHE W 19 129 ? -21.833 24.784 44.078 1.00 87.44 ? 147 PHE c CZ 1 ? ? +34219 ATOM C C . PHE W 19 129 ? -18.865 18.975 43.913 1.00 83.86 ? 147 PHE c C 1 ? ? +34220 ATOM O O . PHE W 19 129 ? -18.127 18.932 42.933 1.00 82.87 ? 147 PHE c O 1 ? ? +34221 ATOM N N . GLY W 19 130 ? -18.786 18.108 44.929 1.00 83.73 ? 148 GLY c N 1 ? ? +34222 ATOM C CA . GLY W 19 130 ? -17.868 16.982 44.902 1.00 82.63 ? 148 GLY c CA 1 ? ? +34223 ATOM C C . GLY W 19 130 ? -18.342 15.878 43.963 1.00 81.34 ? 148 GLY c C 1 ? ? +34224 ATOM O O . GLY W 19 130 ? -19.536 15.748 43.712 1.00 81.48 ? 148 GLY c O 1 ? ? +34225 ATOM N N . TYR W 19 131 ? -17.390 15.092 43.451 1.00 79.99 ? 149 TYR c N 1 ? ? +34226 ATOM C CA . TYR W 19 131 ? -17.698 14.011 42.531 1.00 78.87 ? 149 TYR c CA 1 ? ? +34227 ATOM C CB . TYR W 19 131 ? -17.904 14.561 41.112 1.00 77.70 ? 149 TYR c CB 1 ? ? +34228 ATOM C CG . TYR W 19 131 ? -16.687 15.238 40.519 1.00 76.67 ? 149 TYR c CG 1 ? ? +34229 ATOM C CD1 . TYR W 19 131 ? -15.682 14.499 39.911 1.00 75.67 ? 149 TYR c CD1 1 ? ? +34230 ATOM C CD2 . TYR W 19 131 ? -16.541 16.615 40.567 1.00 76.59 ? 149 TYR c CD2 1 ? ? +34231 ATOM C CE1 . TYR W 19 131 ? -14.569 15.118 39.348 1.00 74.95 ? 149 TYR c CE1 1 ? ? +34232 ATOM C CE2 . TYR W 19 131 ? -15.427 17.245 40.022 1.00 75.90 ? 149 TYR c CE2 1 ? ? +34233 ATOM C CZ . TYR W 19 131 ? -14.444 16.494 39.409 1.00 75.04 ? 149 TYR c CZ 1 ? ? +34234 ATOM O OH . TYR W 19 131 ? -13.353 17.128 38.864 1.00 74.52 ? 149 TYR c OH 1 ? ? +34235 ATOM C C . TYR W 19 131 ? -16.607 12.942 42.530 1.00 78.47 ? 149 TYR c C 1 ? ? +34236 ATOM O O . TYR W 19 131 ? -15.476 13.186 42.950 1.00 78.16 ? 149 TYR c O 1 ? ? +34237 ATOM N N . ASP W 19 132 ? -16.993 11.747 42.073 1.00 78.23 ? 150 ASP c N 1 ? ? +34238 ATOM C CA . ASP W 19 132 ? -16.074 10.657 41.809 1.00 77.61 ? 150 ASP c CA 1 ? ? +34239 ATOM C CB . ASP W 19 132 ? -16.302 9.480 42.772 1.00 78.48 ? 150 ASP c CB 1 ? ? +34240 ATOM C CG . ASP W 19 132 ? -15.341 8.307 42.619 1.00 78.43 ? 150 ASP c CG 1 ? ? +34241 ATOM O OD1 . ASP W 19 132 ? -14.341 8.438 41.880 1.00 78.11 ? 150 ASP c OD1 1 ? ? +34242 ATOM O OD2 . ASP W 19 132 ? -15.578 7.265 43.247 1.00 79.29 ? 150 ASP c OD2 1 ? ? +34243 ATOM C C . ASP W 19 132 ? -16.334 10.234 40.371 1.00 76.64 ? 150 ASP c C 1 ? ? +34244 ATOM O O . ASP W 19 132 ? -17.470 9.940 40.016 1.00 76.80 ? 150 ASP c O 1 ? ? +34245 ATOM N N . TRP W 19 133 ? -15.277 10.223 39.551 1.00 75.83 ? 151 TRP c N 1 ? ? +34246 ATOM C CA . TRP W 19 133 ? -15.373 9.816 38.158 1.00 74.86 ? 151 TRP c CA 1 ? ? +34247 ATOM C CB . TRP W 19 133 ? -13.990 9.574 37.572 1.00 74.02 ? 151 TRP c CB 1 ? ? +34248 ATOM C CG . TRP W 19 133 ? -13.058 10.737 37.616 1.00 73.68 ? 151 TRP c CG 1 ? ? +34249 ATOM C CD1 . TRP W 19 133 ? -11.915 10.836 38.347 1.00 73.66 ? 151 TRP c CD1 1 ? ? +34250 ATOM N NE1 . TRP W 19 133 ? -11.309 12.041 38.110 1.00 73.46 ? 151 TRP c NE1 1 ? ? +34251 ATOM C CE2 . TRP W 19 133 ? -12.053 12.746 37.204 1.00 73.19 ? 151 TRP c CE2 1 ? ? +34252 ATOM C CZ2 . TRP W 19 133 ? -11.849 14.017 36.658 1.00 72.94 ? 151 TRP c CZ2 1 ? ? +34253 ATOM C CH2 . TRP W 19 133 ? -12.777 14.474 35.761 1.00 72.64 ? 151 TRP c CH2 1 ? ? +34254 ATOM C CZ3 . TRP W 19 133 ? -13.890 13.704 35.404 1.00 72.63 ? 151 TRP c CZ3 1 ? ? +34255 ATOM C CE3 . TRP W 19 133 ? -14.098 12.448 35.951 1.00 72.83 ? 151 TRP c CE3 1 ? ? +34256 ATOM C CD2 . TRP W 19 133 ? -13.163 11.948 36.866 1.00 73.20 ? 151 TRP c CD2 1 ? ? +34257 ATOM C C . TRP W 19 133 ? -16.178 8.535 37.945 1.00 75.08 ? 151 TRP c C 1 ? ? +34258 ATOM O O . TRP W 19 133 ? -16.833 8.393 36.916 1.00 74.62 ? 151 TRP c O 1 ? ? +34259 ATOM N N . LYS W 19 134 ? -16.090 7.598 38.899 1.00 75.70 ? 152 LYS c N 1 ? ? +34260 ATOM C CA . LYS W 19 134 ? -16.800 6.331 38.797 1.00 75.92 ? 152 LYS c CA 1 ? ? +34261 ATOM C CB . LYS W 19 134 ? -16.238 5.290 39.786 1.00 77.10 ? 152 LYS c CB 1 ? ? +34262 ATOM C CG . LYS W 19 134 ? -15.082 4.453 39.269 1.00 77.16 ? 152 LYS c CG 1 ? ? +34263 ATOM C CD . LYS W 19 134 ? -13.736 5.103 39.469 1.00 77.85 ? 152 LYS c CD 1 ? ? +34264 ATOM C CE . LYS W 19 134 ? -12.661 4.063 39.656 1.00 78.36 ? 152 LYS c CE 1 ? ? +34265 ATOM N NZ . LYS W 19 134 ? -12.632 3.098 38.511 1.00 78.13 ? 152 LYS c NZ 1 ? ? +34266 ATOM C C . LYS W 19 134 ? -18.301 6.456 39.051 1.00 75.56 ? 152 LYS c C 1 ? ? +34267 ATOM O O . LYS W 19 134 ? -19.055 5.581 38.647 1.00 75.63 ? 152 LYS c O 1 ? ? +34268 ATOM N N . ASP W 19 135 ? -18.720 7.523 39.735 1.00 75.40 ? 153 ASP c N 1 ? ? +34269 ATOM C CA . ASP W 19 135 ? -20.120 7.695 40.086 1.00 75.73 ? 153 ASP c CA 1 ? ? +34270 ATOM C CB . ASP W 19 135 ? -20.283 8.723 41.205 1.00 76.37 ? 153 ASP c CB 1 ? ? +34271 ATOM C CG . ASP W 19 135 ? -21.710 8.874 41.684 1.00 77.05 ? 153 ASP c CG 1 ? ? +34272 ATOM O OD1 . ASP W 19 135 ? -22.619 8.354 41.014 1.00 76.93 ? 153 ASP c OD1 1 ? ? +34273 ATOM O OD2 . ASP W 19 135 ? -21.913 9.509 42.722 1.00 77.68 ? 153 ASP c OD2 1 ? ? +34274 ATOM C C . ASP W 19 135 ? -20.921 8.093 38.850 1.00 75.06 ? 153 ASP c C 1 ? ? +34275 ATOM O O . ASP W 19 135 ? -20.981 9.267 38.486 1.00 75.13 ? 153 ASP c O 1 ? ? +34276 ATOM N N . LYS W 19 136 ? -21.547 7.088 38.230 1.00 74.50 ? 154 LYS c N 1 ? ? +34277 ATOM C CA . LYS W 19 136 ? -22.243 7.260 36.968 1.00 73.91 ? 154 LYS c CA 1 ? ? +34278 ATOM C CB . LYS W 19 136 ? -22.708 5.898 36.443 1.00 73.91 ? 154 LYS c CB 1 ? ? +34279 ATOM C CG . LYS W 19 136 ? -21.552 4.939 36.169 1.00 73.36 ? 154 LYS c CG 1 ? ? +34280 ATOM C CD . LYS W 19 136 ? -22.000 3.635 35.569 1.00 73.35 ? 154 LYS c CD 1 ? ? +34281 ATOM C CE . LYS W 19 136 ? -20.867 2.652 35.383 1.00 73.00 ? 154 LYS c CE 1 ? ? +34282 ATOM N NZ . LYS W 19 136 ? -20.306 2.164 36.671 1.00 73.58 ? 154 LYS c NZ 1 ? ? +34283 ATOM C C . LYS W 19 136 ? -23.420 8.225 37.081 1.00 74.26 ? 154 LYS c C 1 ? ? +34284 ATOM O O . LYS W 19 136 ? -23.667 9.012 36.170 1.00 73.83 ? 154 LYS c O 1 ? ? +34285 ATOM N N . ASN W 19 137 ? -24.127 8.179 38.215 1.00 75.10 ? 155 ASN c N 1 ? ? +34286 ATOM C CA . ASN W 19 137 ? -25.258 9.064 38.443 1.00 75.54 ? 155 ASN c CA 1 ? ? +34287 ATOM C CB . ASN W 19 137 ? -25.979 8.682 39.730 1.00 76.59 ? 155 ASN c CB 1 ? ? +34288 ATOM C CG . ASN W 19 137 ? -27.301 9.358 39.868 1.00 77.44 ? 155 ASN c CG 1 ? ? +34289 ATOM O OD1 . ASN W 19 137 ? -27.792 10.010 38.949 1.00 77.48 ? 155 ASN c OD1 1 ? ? +34290 ATOM N ND2 . ASN W 19 137 ? -27.923 9.205 41.008 1.00 78.38 ? 155 ASN c ND2 1 ? ? +34291 ATOM C C . ASN W 19 137 ? -24.810 10.526 38.469 1.00 75.25 ? 155 ASN c C 1 ? ? +34292 ATOM O O . ASN W 19 137 ? -25.304 11.344 37.693 1.00 74.78 ? 155 ASN c O 1 ? ? +34293 ATOM N N . LYS W 19 138 ? -23.848 10.829 39.350 1.00 75.33 ? 156 LYS c N 1 ? ? +34294 ATOM C CA . LYS W 19 138 ? -23.296 12.169 39.471 1.00 75.22 ? 156 LYS c CA 1 ? ? +34295 ATOM C CB . LYS W 19 138 ? -22.238 12.193 40.587 1.00 75.55 ? 156 LYS c CB 1 ? ? +34296 ATOM C CG . LYS W 19 138 ? -21.644 13.565 40.907 1.00 75.77 ? 156 LYS c CG 1 ? ? +34297 ATOM C CD . LYS W 19 138 ? -22.695 14.599 41.206 1.00 76.66 ? 156 LYS c CD 1 ? ? +34298 ATOM C CE . LYS W 19 138 ? -22.200 15.696 42.099 1.00 77.25 ? 156 LYS c CE 1 ? ? +34299 ATOM N NZ . LYS W 19 138 ? -22.039 15.217 43.491 1.00 78.08 ? 156 LYS c NZ 1 ? ? +34300 ATOM C C . LYS W 19 138 ? -22.689 12.686 38.167 1.00 74.12 ? 156 LYS c C 1 ? ? +34301 ATOM O O . LYS W 19 138 ? -22.792 13.877 37.873 1.00 74.28 ? 156 LYS c O 1 ? ? +34302 ATOM N N . MET W 19 139 ? -22.061 11.802 37.384 1.00 73.04 ? 157 MET c N 1 ? ? +34303 ATOM C CA . MET W 19 139 ? -21.442 12.224 36.139 1.00 71.97 ? 157 MET c CA 1 ? ? +34304 ATOM C CB . MET W 19 139 ? -20.562 11.118 35.567 1.00 71.16 ? 157 MET c CB 1 ? ? +34305 ATOM C CG . MET W 19 139 ? -19.202 10.996 36.267 1.00 71.03 ? 157 MET c CG 1 ? ? +34306 ATOM S SD . MET W 19 139 ? -18.131 12.457 36.101 1.00 70.56 ? 157 MET c SD 1 ? ? +34307 ATOM C CE . MET W 19 139 ? -18.237 13.099 37.687 1.00 71.46 ? 157 MET c CE 1 ? ? +34308 ATOM C C . MET W 19 139 ? -22.498 12.641 35.118 1.00 71.87 ? 157 MET c C 1 ? ? +34309 ATOM O O . MET W 19 139 ? -22.304 13.620 34.400 1.00 71.55 ? 157 MET c O 1 ? ? +34310 ATOM N N . THR W 19 140 ? -23.609 11.897 35.055 1.00 72.16 ? 158 THR c N 1 ? ? +34311 ATOM C CA . THR W 19 140 ? -24.707 12.237 34.162 1.00 72.12 ? 158 THR c CA 1 ? ? +34312 ATOM C CB . THR W 19 140 ? -25.656 11.058 34.010 1.00 72.33 ? 158 THR c CB 1 ? ? +34313 ATOM O OG1 . THR W 19 140 ? -26.033 10.591 35.308 1.00 73.20 ? 158 THR c OG1 1 ? ? +34314 ATOM C CG2 . THR W 19 140 ? -25.040 9.948 33.199 1.00 71.45 ? 158 THR c CG2 1 ? ? +34315 ATOM C C . THR W 19 140 ? -25.469 13.482 34.612 1.00 72.79 ? 158 THR c C 1 ? ? +34316 ATOM O O . THR W 19 140 ? -26.070 14.168 33.786 1.00 72.78 ? 158 THR c O 1 ? ? +34317 ATOM N N . THR W 19 141 ? -25.436 13.767 35.920 1.00 73.43 ? 159 THR c N 1 ? ? +34318 ATOM C CA . THR W 19 141 ? -26.079 14.955 36.464 1.00 74.09 ? 159 THR c CA 1 ? ? +34319 ATOM C CB . THR W 19 141 ? -26.188 14.824 37.975 1.00 74.90 ? 159 THR c CB 1 ? ? +34320 ATOM O OG1 . THR W 19 141 ? -27.054 13.717 38.244 1.00 75.37 ? 159 THR c OG1 1 ? ? +34321 ATOM C CG2 . THR W 19 141 ? -26.705 16.073 38.644 1.00 75.65 ? 159 THR c CG2 1 ? ? +34322 ATOM C C . THR W 19 141 ? -25.342 16.221 36.032 1.00 73.73 ? 159 THR c C 1 ? ? +34323 ATOM O O . THR W 19 141 ? -25.966 17.196 35.621 1.00 73.94 ? 159 THR c O 1 ? ? +34324 ATOM N N . ILE W 19 142 ? -24.007 16.185 36.118 1.00 73.22 ? 160 ILE c N 1 ? ? +34325 ATOM C CA . ILE W 19 142 ? -23.173 17.302 35.707 1.00 72.69 ? 160 ILE c CA 1 ? ? +34326 ATOM C CB . ILE W 19 142 ? -21.725 17.061 36.125 1.00 72.38 ? 160 ILE c CB 1 ? ? +34327 ATOM C CG1 . ILE W 19 142 ? -21.582 17.097 37.648 1.00 73.17 ? 160 ILE c CG1 1 ? ? +34328 ATOM C CG2 . ILE W 19 142 ? -20.790 18.065 35.443 1.00 71.93 ? 160 ILE c CG2 1 ? ? +34329 ATOM C CD1 . ILE W 19 142 ? -20.221 16.587 38.120 1.00 73.00 ? 160 ILE c CD1 1 ? ? +34330 ATOM C C . ILE W 19 142 ? -23.295 17.524 34.205 1.00 71.92 ? 160 ILE c C 1 ? ? +34331 ATOM O O . ILE W 19 142 ? -23.404 18.658 33.743 1.00 71.87 ? 160 ILE c O 1 ? ? +34332 ATOM N N . LEU W 19 143 ? -23.246 16.420 33.455 1.00 71.32 ? 161 LEU c N 1 ? ? +34333 ATOM C CA . LEU W 19 143 ? -23.546 16.435 32.034 1.00 70.65 ? 161 LEU c CA 1 ? ? +34334 ATOM C CB . LEU W 19 143 ? -23.535 14.994 31.498 1.00 70.13 ? 161 LEU c CB 1 ? ? +34335 ATOM C CG . LEU W 19 143 ? -23.964 14.817 30.044 1.00 69.57 ? 161 LEU c CG 1 ? ? +34336 ATOM C CD1 . LEU W 19 143 ? -22.952 15.407 29.084 1.00 68.80 ? 161 LEU c CD1 1 ? ? +34337 ATOM C CD2 . LEU W 19 143 ? -24.194 13.366 29.728 1.00 69.34 ? 161 LEU c CD2 1 ? ? +34338 ATOM C C . LEU W 19 143 ? -24.897 17.114 31.796 1.00 71.14 ? 161 LEU c C 1 ? ? +34339 ATOM O O . LEU W 19 143 ? -24.981 18.049 31.002 1.00 70.96 ? 161 LEU c O 1 ? ? +34340 ATOM N N . GLY W 19 144 ? -25.932 16.656 32.516 1.00 71.79 ? 162 GLY c N 1 ? ? +34341 ATOM C CA . GLY W 19 144 ? -27.268 17.214 32.396 1.00 72.34 ? 162 GLY c CA 1 ? ? +34342 ATOM C C . GLY W 19 144 ? -27.311 18.729 32.583 1.00 72.67 ? 162 GLY c C 1 ? ? +34343 ATOM O O . GLY W 19 144 ? -27.914 19.431 31.775 1.00 72.68 ? 162 GLY c O 1 ? ? +34344 ATOM N N . PHE W 19 145 ? -26.664 19.227 33.647 1.00 72.94 ? 163 PHE c N 1 ? ? +34345 ATOM C CA . PHE W 19 145 ? -26.630 20.656 33.913 1.00 73.31 ? 163 PHE c CA 1 ? ? +34346 ATOM C CB . PHE W 19 145 ? -25.779 21.000 35.150 1.00 73.60 ? 163 PHE c CB 1 ? ? +34347 ATOM C CG . PHE W 19 145 ? -26.330 20.557 36.486 1.00 74.53 ? 163 PHE c CG 1 ? ? +34348 ATOM C CD1 . PHE W 19 145 ? -27.654 20.789 36.823 1.00 75.37 ? 163 PHE c CD1 1 ? ? +34349 ATOM C CD2 . PHE W 19 145 ? -25.513 19.945 37.424 1.00 74.60 ? 163 PHE c CD2 1 ? ? +34350 ATOM C CE1 . PHE W 19 145 ? -28.155 20.381 38.057 1.00 76.21 ? 163 PHE c CE1 1 ? ? +34351 ATOM C CE2 . PHE W 19 145 ? -26.017 19.542 38.657 1.00 75.43 ? 163 PHE c CE2 1 ? ? +34352 ATOM C CZ . PHE W 19 145 ? -27.333 19.767 38.969 1.00 76.20 ? 163 PHE c CZ 1 ? ? +34353 ATOM C C . PHE W 19 145 ? -26.093 21.417 32.706 1.00 72.64 ? 163 PHE c C 1 ? ? +34354 ATOM O O . PHE W 19 145 ? -26.665 22.429 32.303 1.00 73.02 ? 163 PHE c O 1 ? ? +34355 ATOM N N . HIS W 19 146 ? -24.995 20.916 32.131 1.00 71.79 ? 164 HIS c N 1 ? ? +34356 ATOM C CA . HIS W 19 146 ? -24.326 21.604 31.040 1.00 71.18 ? 164 HIS c CA 1 ? ? +34357 ATOM C CB . HIS W 19 146 ? -22.906 21.035 30.841 1.00 70.46 ? 164 HIS c CB 1 ? ? +34358 ATOM C CG . HIS W 19 146 ? -21.988 21.267 32.003 1.00 70.75 ? 164 HIS c CG 1 ? ? +34359 ATOM N ND1 . HIS W 19 146 ? -20.785 20.609 32.110 1.00 70.37 ? 164 HIS c ND1 1 ? ? +34360 ATOM C CE1 . HIS W 19 146 ? -20.229 21.026 33.238 1.00 70.75 ? 164 HIS c CE1 1 ? ? +34361 ATOM N NE2 . HIS W 19 146 ? -21.012 21.901 33.858 1.00 71.55 ? 164 HIS c NE2 1 ? ? +34362 ATOM C CD2 . HIS W 19 146 ? -22.141 22.058 33.083 1.00 71.60 ? 164 HIS c CD2 1 ? ? +34363 ATOM C C . HIS W 19 146 ? -25.124 21.555 29.737 1.00 70.86 ? 164 HIS c C 1 ? ? +34364 ATOM O O . HIS W 19 146 ? -25.080 22.496 28.948 1.00 70.68 ? 164 HIS c O 1 ? ? +34365 ATOM N N . LEU W 19 147 ? -25.852 20.457 29.511 1.00 70.95 ? 165 LEU c N 1 ? ? +34366 ATOM C CA . LEU W 19 147 ? -26.789 20.383 28.398 1.00 70.96 ? 165 LEU c CA 1 ? ? +34367 ATOM C CB . LEU W 19 147 ? -27.482 19.005 28.354 1.00 71.04 ? 165 LEU c CB 1 ? ? +34368 ATOM C CG . LEU W 19 147 ? -26.619 17.806 28.001 1.00 70.32 ? 165 LEU c CG 1 ? ? +34369 ATOM C CD1 . LEU W 19 147 ? -27.417 16.534 28.069 1.00 70.60 ? 165 LEU c CD1 1 ? ? +34370 ATOM C CD2 . LEU W 19 147 ? -26.032 17.916 26.635 1.00 69.42 ? 165 LEU c CD2 1 ? ? +34371 ATOM C C . LEU W 19 147 ? -27.853 21.482 28.471 1.00 71.71 ? 165 LEU c C 1 ? ? +34372 ATOM O O . LEU W 19 147 ? -28.186 22.082 27.453 1.00 71.59 ? 165 LEU c O 1 ? ? +34373 ATOM N N . ILE W 19 148 ? -28.374 21.750 29.675 1.00 72.53 ? 166 ILE c N 1 ? ? +34374 ATOM C CA . ILE W 19 148 ? -29.349 22.810 29.858 1.00 73.42 ? 166 ILE c CA 1 ? ? +34375 ATOM C CB . ILE W 19 148 ? -29.914 22.809 31.300 1.00 74.38 ? 166 ILE c CB 1 ? ? +34376 ATOM C CG1 . ILE W 19 148 ? -30.701 21.525 31.614 1.00 74.66 ? 166 ILE c CG1 1 ? ? +34377 ATOM C CG2 . ILE W 19 148 ? -30.767 24.060 31.566 1.00 75.20 ? 166 ILE c CG2 1 ? ? +34378 ATOM C CD1 . ILE W 19 148 ? -30.771 21.231 33.130 1.00 75.37 ? 166 ILE c CD1 1 ? ? +34379 ATOM C C . ILE W 19 148 ? -28.734 24.163 29.512 1.00 73.35 ? 166 ILE c C 1 ? ? +34380 ATOM O O . ILE W 19 148 ? -29.355 24.970 28.824 1.00 73.75 ? 166 ILE c O 1 ? ? +34381 ATOM N N . VAL W 19 149 ? -27.519 24.412 30.012 1.00 73.02 ? 167 VAL c N 1 ? ? +34382 ATOM C CA . VAL W 19 149 ? -26.774 25.614 29.668 1.00 72.75 ? 167 VAL c CA 1 ? ? +34383 ATOM C CB . VAL W 19 149 ? -25.373 25.613 30.331 1.00 72.51 ? 167 VAL c CB 1 ? ? +34384 ATOM C CG1 . VAL W 19 149 ? -24.427 26.602 29.656 1.00 72.06 ? 167 VAL c CG1 1 ? ? +34385 ATOM C CG2 . VAL W 19 149 ? -25.475 25.897 31.823 1.00 73.35 ? 167 VAL c CG2 1 ? ? +34386 ATOM C C . VAL W 19 149 ? -26.645 25.784 28.155 1.00 71.88 ? 167 VAL c C 1 ? ? +34387 ATOM O O . VAL W 19 149 ? -26.872 26.871 27.628 1.00 72.02 ? 167 VAL c O 1 ? ? +34388 ATOM N N . LEU W 19 150 ? -26.258 24.706 27.468 1.00 71.02 ? 168 LEU c N 1 ? ? +34389 ATOM C CA . LEU W 19 150 ? -26.062 24.757 26.031 1.00 70.22 ? 168 LEU c CA 1 ? ? +34390 ATOM C CB . LEU W 19 150 ? -25.433 23.452 25.543 1.00 69.43 ? 168 LEU c CB 1 ? ? +34391 ATOM C CG . LEU W 19 150 ? -23.914 23.334 25.758 1.00 68.79 ? 168 LEU c CG 1 ? ? +34392 ATOM C CD1 . LEU W 19 150 ? -23.397 22.064 25.175 1.00 68.04 ? 168 LEU c CD1 1 ? ? +34393 ATOM C CD2 . LEU W 19 150 ? -23.154 24.506 25.142 1.00 68.47 ? 168 LEU c CD2 1 ? ? +34394 ATOM C C . LEU W 19 150 ? -27.364 25.035 25.292 1.00 70.53 ? 168 LEU c C 1 ? ? +34395 ATOM O O . LEU W 19 150 ? -27.385 25.822 24.351 1.00 70.27 ? 168 LEU c O 1 ? ? +34396 ATOM N N . GLY W 19 151 ? -28.441 24.385 25.740 1.00 71.18 ? 169 GLY c N 1 ? ? +34397 ATOM C CA . GLY W 19 151 ? -29.776 24.614 25.208 1.00 71.62 ? 169 GLY c CA 1 ? ? +34398 ATOM C C . GLY W 19 151 ? -30.202 26.076 25.291 1.00 72.20 ? 169 GLY c C 1 ? ? +34399 ATOM O O . GLY W 19 151 ? -30.713 26.631 24.319 1.00 72.31 ? 169 GLY c O 1 ? ? +34400 ATOM N N . ILE W 19 152 ? -29.983 26.687 26.459 1.00 72.72 ? 170 ILE c N 1 ? ? +34401 ATOM C CA . ILE W 19 152 ? -30.263 28.102 26.643 1.00 73.44 ? 170 ILE c CA 1 ? ? +34402 ATOM C CB . ILE W 19 152 ? -30.009 28.507 28.118 1.00 74.18 ? 170 ILE c CB 1 ? ? +34403 ATOM C CG1 . ILE W 19 152 ? -31.137 27.959 29.031 1.00 75.01 ? 170 ILE c CG1 1 ? ? +34404 ATOM C CG2 . ILE W 19 152 ? -29.881 30.020 28.272 1.00 74.68 ? 170 ILE c CG2 1 ? ? +34405 ATOM C CD1 . ILE W 19 152 ? -30.697 27.646 30.470 1.00 75.37 ? 170 ILE c CD1 1 ? ? +34406 ATOM C C . ILE W 19 152 ? -29.458 28.936 25.649 1.00 72.77 ? 170 ILE c C 1 ? ? +34407 ATOM O O . ILE W 19 152 ? -29.982 29.860 25.033 1.00 72.98 ? 170 ILE c O 1 ? ? +34408 ATOM N N . GLY W 19 153 ? -28.182 28.579 25.492 1.00 72.02 ? 171 GLY c N 1 ? ? +34409 ATOM C CA . GLY W 19 153 ? -27.301 29.239 24.542 1.00 71.43 ? 171 GLY c CA 1 ? ? +34410 ATOM C C . GLY W 19 153 ? -27.862 29.277 23.124 1.00 71.10 ? 171 GLY c C 1 ? ? +34411 ATOM O O . GLY W 19 153 ? -27.831 30.320 22.475 1.00 71.03 ? 171 GLY c O 1 ? ? +34412 ATOM N N . ALA W 19 154 ? -28.377 28.133 22.658 1.00 70.91 ? 172 ALA c N 1 ? ? +34413 ATOM C CA . ALA W 19 154 ? -28.999 28.046 21.347 1.00 70.70 ? 172 ALA c CA 1 ? ? +34414 ATOM C CB . ALA W 19 154 ? -29.331 26.597 21.019 1.00 70.34 ? 172 ALA c CB 1 ? ? +34415 ATOM C C . ALA W 19 154 ? -30.247 28.926 21.259 1.00 71.63 ? 172 ALA c C 1 ? ? +34416 ATOM O O . ALA W 19 154 ? -30.472 29.588 20.247 1.00 71.66 ? 172 ALA c O 1 ? ? +34417 ATOM N N . LEU W 19 155 ? -31.047 28.958 22.331 1.00 72.45 ? 173 LEU c N 1 ? ? +34418 ATOM C CA . LEU W 19 155 ? -32.257 29.764 22.338 1.00 73.36 ? 173 LEU c CA 1 ? ? +34419 ATOM C CB . LEU W 19 155 ? -33.151 29.386 23.533 1.00 74.06 ? 173 LEU c CB 1 ? ? +34420 ATOM C CG . LEU W 19 155 ? -33.704 27.957 23.511 1.00 73.96 ? 173 LEU c CG 1 ? ? +34421 ATOM C CD1 . LEU W 19 155 ? -34.639 27.712 24.658 1.00 74.86 ? 173 LEU c CD1 1 ? ? +34422 ATOM C CD2 . LEU W 19 155 ? -34.432 27.648 22.214 1.00 73.78 ? 173 LEU c CD2 1 ? ? +34423 ATOM C C . LEU W 19 155 ? -31.938 31.259 22.339 1.00 73.78 ? 173 LEU c C 1 ? ? +34424 ATOM O O . LEU W 19 155 ? -32.748 32.055 21.864 1.00 74.35 ? 173 LEU c O 1 ? ? +34425 ATOM N N . LEU W 19 156 ? -30.749 31.635 22.843 1.00 73.53 ? 174 LEU c N 1 ? ? +34426 ATOM C CA . LEU W 19 156 ? -30.299 33.018 22.780 1.00 73.78 ? 174 LEU c CA 1 ? ? +34427 ATOM C CB . LEU W 19 156 ? -28.972 33.218 23.524 1.00 73.45 ? 174 LEU c CB 1 ? ? +34428 ATOM C CG . LEU W 19 156 ? -29.011 33.152 25.043 1.00 74.03 ? 174 LEU c CG 1 ? ? +34429 ATOM C CD1 . LEU W 19 156 ? -27.616 33.394 25.616 1.00 73.70 ? 174 LEU c CD1 1 ? ? +34430 ATOM C CD2 . LEU W 19 156 ? -29.996 34.136 25.608 1.00 74.98 ? 174 LEU c CD2 1 ? ? +34431 ATOM C C . LEU W 19 156 ? -30.122 33.498 21.342 1.00 73.44 ? 174 LEU c C 1 ? ? +34432 ATOM O O . LEU W 19 156 ? -30.332 34.677 21.049 1.00 74.03 ? 174 LEU c O 1 ? ? +34433 ATOM N N . LEU W 19 157 ? -29.718 32.584 20.452 1.00 72.63 ? 175 LEU c N 1 ? ? +34434 ATOM C CA . LEU W 19 157 ? -29.585 32.920 19.045 1.00 72.15 ? 175 LEU c CA 1 ? ? +34435 ATOM C CB . LEU W 19 157 ? -28.842 31.835 18.278 1.00 71.25 ? 175 LEU c CB 1 ? ? +34436 ATOM C CG . LEU W 19 157 ? -28.803 32.029 16.762 1.00 70.86 ? 175 LEU c CG 1 ? ? +34437 ATOM C CD1 . LEU W 19 157 ? -27.870 33.146 16.388 1.00 70.68 ? 175 LEU c CD1 1 ? ? +34438 ATOM C CD2 . LEU W 19 157 ? -28.416 30.768 16.082 1.00 70.07 ? 175 LEU c CD2 1 ? ? +34439 ATOM C C . LEU W 19 157 ? -30.959 33.121 18.416 1.00 72.67 ? 175 LEU c C 1 ? ? +34440 ATOM O O . LEU W 19 157 ? -31.120 34.007 17.580 1.00 72.96 ? 175 LEU c O 1 ? ? +34441 ATOM N N . VAL W 19 158 ? -31.923 32.278 18.812 1.00 72.80 ? 176 VAL c N 1 ? ? +34442 ATOM C CA . VAL W 19 158 ? -33.293 32.386 18.346 1.00 73.22 ? 176 VAL c CA 1 ? ? +34443 ATOM C CB . VAL W 19 158 ? -34.150 31.216 18.875 1.00 73.42 ? 176 VAL c CB 1 ? ? +34444 ATOM C CG1 . VAL W 19 158 ? -35.643 31.409 18.568 1.00 74.17 ? 176 VAL c CG1 1 ? ? +34445 ATOM C CG2 . VAL W 19 158 ? -33.646 29.890 18.326 1.00 72.53 ? 176 VAL c CG2 1 ? ? +34446 ATOM C C . VAL W 19 158 ? -33.855 33.738 18.768 1.00 74.11 ? 176 VAL c C 1 ? ? +34447 ATOM O O . VAL W 19 158 ? -34.462 34.438 17.962 1.00 74.35 ? 176 VAL c O 1 ? ? +34448 ATOM N N . ALA W 19 159 ? -33.629 34.089 20.038 1.00 74.67 ? 177 ALA c N 1 ? ? +34449 ATOM C CA . ALA W 19 159 ? -34.114 35.340 20.602 1.00 75.54 ? 177 ALA c CA 1 ? ? +34450 ATOM C CB . ALA W 19 159 ? -33.722 35.439 22.069 1.00 75.83 ? 177 ALA c CB 1 ? ? +34451 ATOM C C . ALA W 19 159 ? -33.580 36.542 19.824 1.00 75.44 ? 177 ALA c C 1 ? ? +34452 ATOM O O . ALA W 19 159 ? -34.342 37.439 19.478 1.00 76.18 ? 177 ALA c O 1 ? ? +34453 ATOM N N . LYS W 19 160 ? -32.268 36.549 19.558 1.00 74.56 ? 178 LYS c N 1 ? ? +34454 ATOM C CA . LYS W 19 160 ? -31.650 37.591 18.755 1.00 74.32 ? 178 LYS c CA 1 ? ? +34455 ATOM C CB . LYS W 19 160 ? -30.145 37.301 18.547 1.00 73.34 ? 178 LYS c CB 1 ? ? +34456 ATOM C CG . LYS W 19 160 ? -29.405 38.364 17.725 1.00 73.02 ? 178 LYS c CG 1 ? ? +34457 ATOM C CD . LYS W 19 160 ? -29.320 39.710 18.435 1.00 73.73 ? 178 LYS c CD 1 ? ? +34458 ATOM C CE . LYS W 19 160 ? -28.792 40.827 17.563 1.00 73.66 ? 178 LYS c CE 1 ? ? +34459 ATOM N NZ . LYS W 19 160 ? -29.673 41.115 16.386 1.00 73.88 ? 178 LYS c NZ 1 ? ? +34460 ATOM C C . LYS W 19 160 ? -32.347 37.707 17.403 1.00 74.41 ? 178 LYS c C 1 ? ? +34461 ATOM O O . LYS W 19 160 ? -32.660 38.807 16.958 1.00 74.79 ? 178 LYS c O 1 ? ? +34462 ATOM N N . ALA W 19 161 ? -32.580 36.553 16.768 1.00 74.13 ? 179 ALA c N 1 ? ? +34463 ATOM C CA . ALA W 19 161 ? -33.147 36.484 15.433 1.00 74.19 ? 179 ALA c CA 1 ? ? +34464 ATOM C CB . ALA W 19 161 ? -33.006 35.073 14.897 1.00 73.44 ? 179 ALA c CB 1 ? ? +34465 ATOM C C . ALA W 19 161 ? -34.612 36.909 15.376 1.00 75.51 ? 179 ALA c C 1 ? ? +34466 ATOM O O . ALA W 19 161 ? -35.041 37.538 14.411 1.00 75.78 ? 179 ALA c O 1 ? ? +34467 ATOM N N . MET W 19 162 ? -35.380 36.566 16.413 1.00 76.42 ? 180 MET c N 1 ? ? +34468 ATOM C CA . MET W 19 162 ? -36.815 36.770 16.370 1.00 77.58 ? 180 MET c CA 1 ? ? +34469 ATOM C CB . MET W 19 162 ? -37.509 35.560 16.999 1.00 77.65 ? 180 MET c CB 1 ? ? +34470 ATOM C CG . MET W 19 162 ? -37.418 34.338 16.140 1.00 76.82 ? 180 MET c CG 1 ? ? +34471 ATOM S SD . MET W 19 162 ? -38.345 32.950 16.775 1.00 77.06 ? 180 MET c SD 1 ? ? +34472 ATOM C CE . MET W 19 162 ? -39.979 33.356 16.173 1.00 77.84 ? 180 MET c CE 1 ? ? +34473 ATOM C C . MET W 19 162 ? -37.228 38.070 17.054 1.00 79.04 ? 180 MET c C 1 ? ? +34474 ATOM O O . MET W 19 162 ? -38.131 38.754 16.576 1.00 79.91 ? 180 MET c O 1 ? ? +34475 ATOM N N . PHE W 19 163 ? -36.550 38.417 18.153 1.00 79.55 ? 181 PHE c N 1 ? ? +34476 ATOM C CA . PHE W 19 163 ? -37.017 39.475 19.034 1.00 80.98 ? 181 PHE c CA 1 ? ? +34477 ATOM C CB . PHE W 19 163 ? -37.348 38.863 20.395 1.00 81.60 ? 181 PHE c CB 1 ? ? +34478 ATOM C CG . PHE W 19 163 ? -38.304 37.691 20.344 1.00 81.99 ? 181 PHE c CG 1 ? ? +34479 ATOM C CD1 . PHE W 19 163 ? -39.597 37.847 19.860 1.00 82.84 ? 181 PHE c CD1 1 ? ? +34480 ATOM C CD2 . PHE W 19 163 ? -37.912 36.433 20.782 1.00 81.61 ? 181 PHE c CD2 1 ? ? +34481 ATOM C CE1 . PHE W 19 163 ? -40.476 36.765 19.813 1.00 83.04 ? 181 PHE c CE1 1 ? ? +34482 ATOM C CE2 . PHE W 19 163 ? -38.797 35.357 20.745 1.00 81.84 ? 181 PHE c CE2 1 ? ? +34483 ATOM C CZ . PHE W 19 163 ? -40.075 35.530 20.263 1.00 82.53 ? 181 PHE c CZ 1 ? ? +34484 ATOM C C . PHE W 19 163 ? -36.069 40.651 19.263 1.00 81.34 ? 181 PHE c C 1 ? ? +34485 ATOM O O . PHE W 19 163 ? -36.500 41.676 19.775 1.00 82.45 ? 181 PHE c O 1 ? ? +34486 ATOM N N . PHE W 19 164 ? -34.783 40.510 18.925 1.00 80.88 ? 182 PHE c N 1 ? ? +34487 ATOM C CA . PHE W 19 164 ? -33.822 41.570 19.200 1.00 81.22 ? 182 PHE c CA 1 ? ? +34488 ATOM C CB . PHE W 19 164 ? -32.859 41.182 20.358 1.00 81.56 ? 182 PHE c CB 1 ? ? +34489 ATOM C CG . PHE W 19 164 ? -33.541 40.909 21.680 1.00 83.20 ? 182 PHE c CG 1 ? ? +34490 ATOM C CD1 . PHE W 19 164 ? -34.131 39.684 21.933 1.00 83.60 ? 182 PHE c CD1 1 ? ? +34491 ATOM C CD2 . PHE W 19 164 ? -33.637 41.901 22.653 1.00 84.58 ? 182 PHE c CD2 1 ? ? +34492 ATOM C CE1 . PHE W 19 164 ? -34.777 39.437 23.151 1.00 84.63 ? 182 PHE c CE1 1 ? ? +34493 ATOM C CE2 . PHE W 19 164 ? -34.293 41.656 23.863 1.00 85.45 ? 182 PHE c CE2 1 ? ? +34494 ATOM C CZ . PHE W 19 164 ? -34.860 40.428 24.104 1.00 85.43 ? 182 PHE c CZ 1 ? ? +34495 ATOM C C . PHE W 19 164 ? -33.019 41.981 17.966 1.00 80.05 ? 182 PHE c C 1 ? ? +34496 ATOM O O . PHE W 19 164 ? -31.794 41.929 17.975 1.00 79.30 ? 182 PHE c O 1 ? ? +34497 ATOM N N . GLY W 19 165 ? -33.728 42.405 16.912 1.00 79.72 ? 183 GLY c N 1 ? ? +34498 ATOM C CA . GLY W 19 165 ? -33.106 43.031 15.755 1.00 78.76 ? 183 GLY c CA 1 ? ? +34499 ATOM C C . GLY W 19 165 ? -32.995 42.125 14.532 1.00 77.53 ? 183 GLY c C 1 ? ? +34500 ATOM O O . GLY W 19 165 ? -33.002 42.613 13.405 1.00 77.49 ? 183 GLY c O 1 ? ? +34501 ATOM N N . GLY W 19 166 ? -32.867 40.814 14.766 1.00 76.42 ? 184 GLY c N 1 ? ? +34502 ATOM C CA . GLY W 19 166 ? -32.742 39.843 13.694 1.00 75.32 ? 184 GLY c CA 1 ? ? +34503 ATOM C C . GLY W 19 166 ? -31.288 39.465 13.416 1.00 74.12 ? 184 GLY c C 1 ? ? +34504 ATOM O O . GLY W 19 166 ? -30.406 39.644 14.260 1.00 73.95 ? 184 GLY c O 1 ? ? +34505 ATOM N N . LEU W 19 167 ? -31.062 38.939 12.209 1.00 73.06 ? 185 LEU c N 1 ? ? +34506 ATOM C CA . LEU W 19 167 ? -29.757 38.485 11.769 1.00 71.65 ? 185 LEU c CA 1 ? ? +34507 ATOM C CB . LEU W 19 167 ? -29.761 36.970 11.680 1.00 70.87 ? 185 LEU c CB 1 ? ? +34508 ATOM C CG . LEU W 19 167 ? -29.989 36.226 12.970 1.00 71.00 ? 185 LEU c CG 1 ? ? +34509 ATOM C CD1 . LEU W 19 167 ? -29.869 34.761 12.759 1.00 70.40 ? 185 LEU c CD1 1 ? ? +34510 ATOM C CD2 . LEU W 19 167 ? -29.017 36.623 14.032 1.00 70.98 ? 185 LEU c CD2 1 ? ? +34511 ATOM C C . LEU W 19 167 ? -29.463 39.076 10.397 1.00 71.29 ? 185 LEU c C 1 ? ? +34512 ATOM O O . LEU W 19 167 ? -30.389 39.447 9.680 1.00 71.63 ? 185 LEU c O 1 ? ? +34513 ATOM N N . TYR W 19 168 ? -28.172 39.163 10.047 1.00 70.56 ? 186 TYR c N 1 ? ? +34514 ATOM C CA . TYR W 19 168 ? -27.783 39.610 8.722 1.00 70.15 ? 186 TYR c CA 1 ? ? +34515 ATOM C CB . TYR W 19 168 ? -26.292 39.928 8.613 1.00 69.56 ? 186 TYR c CB 1 ? ? +34516 ATOM C CG . TYR W 19 168 ? -25.982 40.482 7.252 1.00 69.31 ? 186 TYR c CG 1 ? ? +34517 ATOM C CD1 . TYR W 19 168 ? -26.266 41.799 6.941 1.00 69.95 ? 186 TYR c CD1 1 ? ? +34518 ATOM C CD2 . TYR W 19 168 ? -25.513 39.663 6.240 1.00 68.65 ? 186 TYR c CD2 1 ? ? +34519 ATOM C CE1 . TYR W 19 168 ? -26.032 42.310 5.672 1.00 69.86 ? 186 TYR c CE1 1 ? ? +34520 ATOM C CE2 . TYR W 19 168 ? -25.275 40.159 4.962 1.00 68.54 ? 186 TYR c CE2 1 ? ? +34521 ATOM C CZ . TYR W 19 168 ? -25.531 41.488 4.684 1.00 69.11 ? 186 TYR c CZ 1 ? ? +34522 ATOM O OH . TYR W 19 168 ? -25.306 41.994 3.427 1.00 68.98 ? 186 TYR c OH 1 ? ? +34523 ATOM C C . TYR W 19 168 ? -28.150 38.527 7.714 1.00 69.71 ? 186 TYR c C 1 ? ? +34524 ATOM O O . TYR W 19 168 ? -27.747 37.380 7.865 1.00 69.36 ? 186 TYR c O 1 ? ? +34525 ATOM N N . ASP W 19 169 ? -28.919 38.898 6.689 1.00 70.01 ? 187 ASP c N 1 ? ? +34526 ATOM C CA . ASP W 19 169 ? -29.356 37.958 5.668 1.00 69.62 ? 187 ASP c CA 1 ? ? +34527 ATOM C CB . ASP W 19 169 ? -30.893 37.915 5.580 1.00 70.25 ? 187 ASP c CB 1 ? ? +34528 ATOM C CG . ASP W 19 169 ? -31.424 36.914 4.586 1.00 69.82 ? 187 ASP c CG 1 ? ? +34529 ATOM O OD1 . ASP W 19 169 ? -30.640 36.080 4.123 1.00 68.92 ? 187 ASP c OD1 1 ? ? +34530 ATOM O OD2 . ASP W 19 169 ? -32.630 36.981 4.260 1.00 70.33 ? 187 ASP c OD2 1 ? ? +34531 ATOM C C . ASP W 19 169 ? -28.760 38.360 4.324 1.00 69.40 ? 187 ASP c C 1 ? ? +34532 ATOM O O . ASP W 19 169 ? -29.205 39.325 3.708 1.00 70.07 ? 187 ASP c O 1 ? ? +34533 ATOM N N . THR W 19 170 ? -27.759 37.606 3.863 1.00 68.58 ? 188 THR c N 1 ? ? +34534 ATOM C CA . THR W 19 170 ? -27.148 37.887 2.577 1.00 68.16 ? 188 THR c CA 1 ? ? +34535 ATOM C CB . THR W 19 170 ? -25.901 37.038 2.397 1.00 66.97 ? 188 THR c CB 1 ? ? +34536 ATOM O OG1 . THR W 19 170 ? -25.170 37.595 1.321 1.00 66.53 ? 188 THR c OG1 1 ? ? +34537 ATOM C CG2 . THR W 19 170 ? -26.214 35.581 2.116 1.00 66.40 ? 188 THR c CG2 1 ? ? +34538 ATOM C C . THR W 19 170 ? -28.116 37.679 1.413 1.00 68.58 ? 188 THR c C 1 ? ? +34539 ATOM O O . THR W 19 170 ? -27.927 38.249 0.345 1.00 68.52 ? 188 THR c O 1 ? ? +34540 ATOM N N . TRP W 19 171 ? -29.136 36.842 1.620 1.00 69.30 ? 189 TRP c N 1 ? ? +34541 ATOM C CA . TRP W 19 171 ? -30.120 36.564 0.587 1.00 70.14 ? 189 TRP c CA 1 ? ? +34542 ATOM C CB . TRP W 19 171 ? -30.704 35.160 0.787 1.00 69.74 ? 189 TRP c CB 1 ? ? +34543 ATOM C CG . TRP W 19 171 ? -29.700 34.065 0.683 1.00 68.47 ? 189 TRP c CG 1 ? ? +34544 ATOM C CD1 . TRP W 19 171 ? -29.107 33.399 1.711 1.00 68.12 ? 189 TRP c CD1 1 ? ? +34545 ATOM N NE1 . TRP W 19 171 ? -28.221 32.464 1.222 1.00 67.36 ? 189 TRP c NE1 1 ? ? +34546 ATOM C CE2 . TRP W 19 171 ? -28.252 32.496 -0.149 1.00 67.03 ? 189 TRP c CE2 1 ? ? +34547 ATOM C CZ2 . TRP W 19 171 ? -27.547 31.737 -1.089 1.00 66.15 ? 189 TRP c CZ2 1 ? ? +34548 ATOM C CH2 . TRP W 19 171 ? -27.797 31.988 -2.412 1.00 66.11 ? 189 TRP c CH2 1 ? ? +34549 ATOM C CZ3 . TRP W 19 171 ? -28.708 32.973 -2.810 1.00 66.85 ? 189 TRP c CZ3 1 ? ? +34550 ATOM C CE3 . TRP W 19 171 ? -29.398 33.727 -1.885 1.00 67.60 ? 189 TRP c CE3 1 ? ? +34551 ATOM C CD2 . TRP W 19 171 ? -29.184 33.486 -0.523 1.00 67.72 ? 189 TRP c CD2 1 ? ? +34552 ATOM C C . TRP W 19 171 ? -31.273 37.567 0.533 1.00 72.07 ? 189 TRP c C 1 ? ? +34553 ATOM O O . TRP W 19 171 ? -32.167 37.415 -0.288 1.00 72.37 ? 189 TRP c O 1 ? ? +34554 ATOM N N . ALA W 19 172 ? -31.244 38.596 1.391 1.00 73.89 ? 190 ALA c N 1 ? ? +34555 ATOM C CA . ALA W 19 172 ? -32.336 39.554 1.481 1.00 76.05 ? 190 ALA c CA 1 ? ? +34556 ATOM C CB . ALA W 19 172 ? -32.095 40.516 2.633 1.00 76.54 ? 190 ALA c CB 1 ? ? +34557 ATOM C C . ALA W 19 172 ? -32.542 40.345 0.190 1.00 77.72 ? 190 ALA c C 1 ? ? +34558 ATOM O O . ALA W 19 172 ? -31.579 40.768 -0.446 1.00 77.51 ? 190 ALA c O 1 ? ? +34559 ATOM N N . PRO W 19 173 ? -33.805 40.670 -0.174 1.00 80.45 ? 191 PRO c N 1 ? ? +34560 ATOM C CA . PRO W 19 173 ? -34.128 41.242 -1.485 1.00 81.74 ? 191 PRO c CA 1 ? ? +34561 ATOM C CB . PRO W 19 173 ? -35.611 41.590 -1.345 1.00 82.52 ? 191 PRO c CB 1 ? ? +34562 ATOM C CG . PRO W 19 173 ? -36.113 40.717 -0.238 1.00 82.52 ? 191 PRO c CG 1 ? ? +34563 ATOM C CD . PRO W 19 173 ? -34.982 40.598 0.706 1.00 81.57 ? 191 PRO c CD 1 ? ? +34564 ATOM C C . PRO W 19 173 ? -33.365 42.495 -1.922 1.00 83.56 ? 191 PRO c C 1 ? ? +34565 ATOM O O . PRO W 19 173 ? -33.270 42.763 -3.118 1.00 84.00 ? 191 PRO c O 1 ? ? +34566 ATOM N N . GLY W 19 174 ? -32.825 43.263 -0.964 1.00 84.99 ? 192 GLY c N 1 ? ? +34567 ATOM C CA . GLY W 19 174 ? -32.171 44.528 -1.275 1.00 85.54 ? 192 GLY c CA 1 ? ? +34568 ATOM C C . GLY W 19 174 ? -30.647 44.483 -1.384 1.00 85.56 ? 192 GLY c C 1 ? ? +34569 ATOM O O . GLY W 19 174 ? -29.982 45.493 -1.153 1.00 87.10 ? 192 GLY c O 1 ? ? +34570 ATOM N N . GLY W 19 175 ? -30.092 43.314 -1.729 1.00 84.17 ? 193 GLY c N 1 ? ? +34571 ATOM C CA . GLY W 19 175 ? -28.649 43.127 -1.822 1.00 83.33 ? 193 GLY c CA 1 ? ? +34572 ATOM C C . GLY W 19 175 ? -27.994 42.650 -0.523 1.00 82.17 ? 193 GLY c C 1 ? ? +34573 ATOM O O . GLY W 19 175 ? -26.767 42.636 -0.409 1.00 81.32 ? 193 GLY c O 1 ? ? +34574 ATOM N N . GLY W 19 176 ? -28.835 42.266 0.447 1.00 81.16 ? 194 GLY c N 1 ? ? +34575 ATOM C CA . GLY W 19 176 ? -28.382 41.852 1.764 1.00 79.92 ? 194 GLY c CA 1 ? ? +34576 ATOM C C . GLY W 19 176 ? -28.687 42.911 2.817 1.00 79.48 ? 194 GLY c C 1 ? ? +34577 ATOM O O . GLY W 19 176 ? -28.424 44.086 2.601 1.00 80.26 ? 194 GLY c O 1 ? ? +34578 ATOM N N . ASP W 19 177 ? -29.253 42.489 3.952 1.00 78.04 ? 195 ASP c N 1 ? ? +34579 ATOM C CA . ASP W 19 177 ? -29.632 43.416 5.003 1.00 77.60 ? 195 ASP c CA 1 ? ? +34580 ATOM C CB . ASP W 19 177 ? -30.868 44.231 4.559 1.00 78.47 ? 195 ASP c CB 1 ? ? +34581 ATOM C CG . ASP W 19 177 ? -31.113 45.523 5.303 1.00 79.35 ? 195 ASP c CG 1 ? ? +34582 ATOM O OD1 . ASP W 19 177 ? -30.285 45.879 6.170 1.00 79.17 ? 195 ASP c OD1 1 ? ? +34583 ATOM O OD2 . ASP W 19 177 ? -32.135 46.178 5.024 1.00 80.37 ? 195 ASP c OD2 1 ? ? +34584 ATOM C C . ASP W 19 177 ? -29.919 42.646 6.290 1.00 76.46 ? 195 ASP c C 1 ? ? +34585 ATOM O O . ASP W 19 177 ? -29.976 41.419 6.286 1.00 75.55 ? 195 ASP c O 1 ? ? +34586 ATOM N N . VAL W 19 178 ? -30.084 43.381 7.392 1.00 76.08 ? 196 VAL c N 1 ? ? +34587 ATOM C CA . VAL W 19 178 ? -30.515 42.797 8.648 1.00 75.55 ? 196 VAL c CA 1 ? ? +34588 ATOM C CB . VAL W 19 178 ? -30.101 43.670 9.853 1.00 75.97 ? 196 VAL c CB 1 ? ? +34589 ATOM C CG1 . VAL W 19 178 ? -30.550 43.038 11.176 1.00 76.22 ? 196 VAL c CG1 1 ? ? +34590 ATOM C CG2 . VAL W 19 178 ? -28.589 43.929 9.847 1.00 75.31 ? 196 VAL c CG2 1 ? ? +34591 ATOM C C . VAL W 19 178 ? -32.025 42.594 8.560 1.00 75.55 ? 196 VAL c C 1 ? ? +34592 ATOM O O . VAL W 19 178 ? -32.752 43.477 8.119 1.00 76.09 ? 196 VAL c O 1 ? ? +34593 ATOM N N . ARG W 19 179 ? -32.475 41.409 8.975 1.00 74.72 ? 197 ARG c N 1 ? ? +34594 ATOM C CA . ARG W 19 179 ? -33.855 40.999 8.809 1.00 74.63 ? 197 ARG c CA 1 ? ? +34595 ATOM C CB . ARG W 19 179 ? -33.976 40.167 7.527 1.00 73.82 ? 197 ARG c CB 1 ? ? +34596 ATOM C CG . ARG W 19 179 ? -35.313 39.464 7.399 1.00 74.06 ? 197 ARG c CG 1 ? ? +34597 ATOM C CD . ARG W 19 179 ? -35.546 38.895 6.031 1.00 73.48 ? 197 ARG c CD 1 ? ? +34598 ATOM N NE . ARG W 19 179 ? -34.839 37.638 5.844 1.00 72.32 ? 197 ARG c NE 1 ? ? +34599 ATOM C CZ . ARG W 19 179 ? -35.362 36.446 6.087 1.00 72.11 ? 197 ARG c CZ 1 ? ? +34600 ATOM N NH1 . ARG W 19 179 ? -36.456 36.306 6.813 1.00 72.86 ? 197 ARG c NH1 1 ? ? +34601 ATOM N NH2 . ARG W 19 179 ? -34.750 35.361 5.630 1.00 71.33 ? 197 ARG c NH2 1 ? ? +34602 ATOM C C . ARG W 19 179 ? -34.305 40.203 10.030 1.00 74.55 ? 197 ARG c C 1 ? ? +34603 ATOM O O . ARG W 19 179 ? -33.574 39.339 10.517 1.00 73.87 ? 197 ARG c O 1 ? ? +34604 ATOM N N . VAL W 19 180 ? -35.510 40.518 10.518 1.00 75.17 ? 198 VAL c N 1 ? ? +34605 ATOM C CA . VAL W 19 180 ? -36.116 39.776 11.610 1.00 75.26 ? 198 VAL c CA 1 ? ? +34606 ATOM C CB . VAL W 19 180 ? -37.156 40.604 12.392 1.00 76.27 ? 198 VAL c CB 1 ? ? +34607 ATOM C CG1 . VAL W 19 180 ? -37.676 39.821 13.584 1.00 76.62 ? 198 VAL c CG1 1 ? ? +34608 ATOM C CG2 . VAL W 19 180 ? -36.585 41.947 12.846 1.00 76.54 ? 198 VAL c CG2 1 ? ? +34609 ATOM C C . VAL W 19 180 ? -36.708 38.513 10.994 1.00 74.88 ? 198 VAL c C 1 ? ? +34610 ATOM O O . VAL W 19 180 ? -37.260 38.562 9.903 1.00 74.85 ? 198 VAL c O 1 ? ? +34611 ATOM N N . ILE W 19 181 ? -36.520 37.378 11.675 1.00 74.62 ? 199 ILE c N 1 ? ? +34612 ATOM C CA . ILE W 19 181 ? -37.050 36.097 11.240 1.00 74.39 ? 199 ILE c CA 1 ? ? +34613 ATOM C CB . ILE W 19 181 ? -36.058 34.947 11.502 1.00 73.44 ? 199 ILE c CB 1 ? ? +34614 ATOM C CG1 . ILE W 19 181 ? -34.924 34.920 10.454 1.00 72.47 ? 199 ILE c CG1 1 ? ? +34615 ATOM C CG2 . ILE W 19 181 ? -36.763 33.591 11.554 1.00 73.41 ? 199 ILE c CG2 1 ? ? +34616 ATOM C CD1 . ILE W 19 181 ? -34.071 36.089 10.453 1.00 72.40 ? 199 ILE c CD1 1 ? ? +34617 ATOM C C . ILE W 19 181 ? -38.357 35.860 11.981 1.00 75.42 ? 199 ILE c C 1 ? ? +34618 ATOM O O . ILE W 19 181 ? -38.343 35.532 13.158 1.00 75.79 ? 199 ILE c O 1 ? ? +34619 ATOM N N . THR W 19 182 ? -39.484 36.036 11.289 1.00 76.12 ? 200 THR c N 1 ? ? +34620 ATOM C CA . THR W 19 182 ? -40.788 35.890 11.917 1.00 77.11 ? 200 THR c CA 1 ? ? +34621 ATOM C CB . THR W 19 182 ? -41.782 36.868 11.304 1.00 77.72 ? 200 THR c CB 1 ? ? +34622 ATOM O OG1 . THR W 19 182 ? -41.877 36.650 9.905 1.00 77.24 ? 200 THR c OG1 1 ? ? +34623 ATOM C CG2 . THR W 19 182 ? -41.387 38.306 11.555 1.00 78.03 ? 200 THR c CG2 1 ? ? +34624 ATOM C C . THR W 19 182 ? -41.280 34.445 11.867 1.00 77.23 ? 200 THR c C 1 ? ? +34625 ATOM O O . THR W 19 182 ? -41.963 34.018 12.791 1.00 77.83 ? 200 THR c O 1 ? ? +34626 ATOM N N . ASN W 19 183 ? -40.904 33.695 10.817 1.00 76.77 ? 201 ASN c N 1 ? ? +34627 ATOM C CA . ASN W 19 183 ? -41.382 32.332 10.623 1.00 76.86 ? 201 ASN c CA 1 ? ? +34628 ATOM C CB . ASN W 19 183 ? -42.300 32.256 9.414 1.00 77.45 ? 201 ASN c CB 1 ? ? +34629 ATOM C CG . ASN W 19 183 ? -43.542 33.046 9.655 1.00 79.01 ? 201 ASN c CG 1 ? ? +34630 ATOM O OD1 . ASN W 19 183 ? -44.373 32.674 10.494 1.00 79.95 ? 201 ASN c OD1 1 ? ? +34631 ATOM N ND2 . ASN W 19 183 ? -43.684 34.172 8.967 1.00 79.60 ? 201 ASN c ND2 1 ? ? +34632 ATOM C C . ASN W 19 183 ? -40.242 31.329 10.486 1.00 75.74 ? 201 ASN c C 1 ? ? +34633 ATOM O O . ASN W 19 183 ? -39.911 30.901 9.380 1.00 75.02 ? 201 ASN c O 1 ? ? +34634 ATOM N N . PRO W 19 184 ? -39.641 30.897 11.620 1.00 75.51 ? 202 PRO c N 1 ? ? +34635 ATOM C CA . PRO W 19 184 ? -38.584 29.888 11.597 1.00 74.52 ? 202 PRO c CA 1 ? ? +34636 ATOM C CB . PRO W 19 184 ? -38.029 29.943 13.018 1.00 74.53 ? 202 PRO c CB 1 ? ? +34637 ATOM C CG . PRO W 19 184 ? -39.203 30.371 13.857 1.00 75.65 ? 202 PRO c CG 1 ? ? +34638 ATOM C CD . PRO W 19 184 ? -39.966 31.346 12.986 1.00 76.24 ? 202 PRO c CD 1 ? ? +34639 ATOM C C . PRO W 19 184 ? -39.147 28.514 11.252 1.00 74.40 ? 202 PRO c C 1 ? ? +34640 ATOM O O . PRO W 19 184 ? -40.263 28.191 11.644 1.00 75.10 ? 202 PRO c O 1 ? ? +34641 ATOM N N . THR W 19 185 ? -38.364 27.716 10.521 1.00 73.57 ? 203 THR c N 1 ? ? +34642 ATOM C CA . THR W 19 185 ? -38.801 26.397 10.099 1.00 73.58 ? 203 THR c CA 1 ? ? +34643 ATOM C CB . THR W 19 185 ? -37.844 25.844 9.075 1.00 72.51 ? 203 THR c CB 1 ? ? +34644 ATOM O OG1 . THR W 19 185 ? -37.568 26.854 8.115 1.00 72.32 ? 203 THR c OG1 1 ? ? +34645 ATOM C CG2 . THR W 19 185 ? -38.396 24.615 8.396 1.00 72.38 ? 203 THR c CG2 1 ? ? +34646 ATOM C C . THR W 19 185 ? -38.911 25.415 11.265 1.00 74.05 ? 203 THR c C 1 ? ? +34647 ATOM O O . THR W 19 185 ? -37.909 25.087 11.895 1.00 73.49 ? 203 THR c O 1 ? ? +34648 ATOM N N . LEU W 19 186 ? -40.129 24.922 11.520 1.00 75.10 ? 204 LEU c N 1 ? ? +34649 ATOM C CA . LEU W 19 186 ? -40.366 23.983 12.603 1.00 75.52 ? 204 LEU c CA 1 ? ? +34650 ATOM C CB . LEU W 19 186 ? -41.550 24.500 13.395 1.00 76.78 ? 204 LEU c CB 1 ? ? +34651 ATOM C CG . LEU W 19 186 ? -41.222 25.649 14.325 1.00 77.32 ? 204 LEU c CG 1 ? ? +34652 ATOM C CD1 . LEU W 19 186 ? -42.488 26.304 14.880 1.00 78.55 ? 204 LEU c CD1 1 ? ? +34653 ATOM C CD2 . LEU W 19 186 ? -40.383 25.162 15.485 1.00 77.18 ? 204 LEU c CD2 1 ? ? +34654 ATOM C C . LEU W 19 186 ? -40.611 22.549 12.140 1.00 75.44 ? 204 LEU c C 1 ? ? +34655 ATOM O O . LEU W 19 186 ? -40.504 21.618 12.937 1.00 75.16 ? 204 LEU c O 1 ? ? +34656 ATOM N N . ASP W 19 187 ? -40.917 22.384 10.849 1.00 75.79 ? 205 ASP c N 1 ? ? +34657 ATOM C CA . ASP W 19 187 ? -41.246 21.083 10.293 1.00 76.25 ? 205 ASP c CA 1 ? ? +34658 ATOM C CB . ASP W 19 187 ? -41.722 21.264 8.836 1.00 76.49 ? 205 ASP c CB 1 ? ? +34659 ATOM C CG . ASP W 19 187 ? -42.165 20.000 8.126 1.00 76.87 ? 205 ASP c CG 1 ? ? +34660 ATOM O OD1 . ASP W 19 187 ? -42.108 18.920 8.747 1.00 77.36 ? 205 ASP c OD1 1 ? ? +34661 ATOM O OD2 . ASP W 19 187 ? -42.555 20.089 6.935 1.00 77.20 ? 205 ASP c OD2 1 ? ? +34662 ATOM C C . ASP W 19 187 ? -40.044 20.137 10.400 1.00 76.07 ? 205 ASP c C 1 ? ? +34663 ATOM O O . ASP W 19 187 ? -38.992 20.379 9.796 1.00 74.78 ? 205 ASP c O 1 ? ? +34664 ATOM N N . PRO W 19 188 ? -40.161 19.020 11.163 1.00 76.79 ? 206 PRO c N 1 ? ? +34665 ATOM C CA . PRO W 19 188 ? -39.015 18.143 11.414 1.00 76.28 ? 206 PRO c CA 1 ? ? +34666 ATOM C CB . PRO W 19 188 ? -39.572 17.115 12.408 1.00 76.64 ? 206 PRO c CB 1 ? ? +34667 ATOM C CG . PRO W 19 188 ? -41.061 17.129 12.178 1.00 77.32 ? 206 PRO c CG 1 ? ? +34668 ATOM C CD . PRO W 19 188 ? -41.395 18.537 11.807 1.00 77.47 ? 206 PRO c CD 1 ? ? +34669 ATOM C C . PRO W 19 188 ? -38.460 17.455 10.171 1.00 76.19 ? 206 PRO c C 1 ? ? +34670 ATOM O O . PRO W 19 188 ? -37.305 17.052 10.158 1.00 75.02 ? 206 PRO c O 1 ? ? +34671 ATOM N N . ARG W 19 189 ? -39.288 17.304 9.131 1.00 77.54 ? 207 ARG c N 1 ? ? +34672 ATOM C CA . ARG W 19 189 ? -38.836 16.668 7.902 1.00 77.58 ? 207 ARG c CA 1 ? ? +34673 ATOM C CB . ARG W 19 189 ? -40.018 16.344 6.973 1.00 80.40 ? 207 ARG c CB 1 ? ? +34674 ATOM C CG . ARG W 19 189 ? -41.065 15.416 7.627 1.00 83.62 ? 207 ARG c CG 1 ? ? +34675 ATOM C CD . ARG W 19 189 ? -42.205 15.032 6.682 1.00 86.14 ? 207 ARG c CD 1 ? ? +34676 ATOM N NE . ARG W 19 189 ? -43.048 16.168 6.319 1.00 88.83 ? 207 ARG c NE 1 ? ? +34677 ATOM C CZ . ARG W 19 189 ? -44.125 16.577 6.989 1.00 92.23 ? 207 ARG c CZ 1 ? ? +34678 ATOM N NH1 . ARG W 19 189 ? -44.579 15.922 8.049 1.00 93.88 ? 207 ARG c NH1 1 ? ? +34679 ATOM N NH2 . ARG W 19 189 ? -44.775 17.661 6.572 1.00 93.36 ? 207 ARG c NH2 1 ? ? +34680 ATOM C C . ARG W 19 189 ? -37.810 17.536 7.174 1.00 75.40 ? 207 ARG c C 1 ? ? +34681 ATOM O O . ARG W 19 189 ? -37.001 17.020 6.418 1.00 73.95 ? 207 ARG c O 1 ? ? +34682 ATOM N N . VAL W 19 190 ? -37.868 18.856 7.381 1.00 74.95 ? 208 VAL c N 1 ? ? +34683 ATOM C CA . VAL W 19 190 ? -36.906 19.774 6.791 1.00 73.46 ? 208 VAL c CA 1 ? ? +34684 ATOM C CB . VAL W 19 190 ? -37.499 21.200 6.585 1.00 74.32 ? 208 VAL c CB 1 ? ? +34685 ATOM C CG1 . VAL W 19 190 ? -36.441 22.175 6.067 1.00 73.56 ? 208 VAL c CG1 1 ? ? +34686 ATOM C CG2 . VAL W 19 190 ? -38.739 21.180 5.672 1.00 74.92 ? 208 VAL c CG2 1 ? ? +34687 ATOM C C . VAL W 19 190 ? -35.674 19.816 7.691 1.00 72.14 ? 208 VAL c C 1 ? ? +34688 ATOM O O . VAL W 19 190 ? -34.548 19.660 7.215 1.00 71.10 ? 208 VAL c O 1 ? ? +34689 ATOM N N . ILE W 19 191 ? -35.905 20.010 8.997 1.00 71.81 ? 209 ILE c N 1 ? ? +34690 ATOM C CA . ILE W 19 191 ? -34.821 20.144 9.954 1.00 70.83 ? 209 ILE c CA 1 ? ? +34691 ATOM C CB . ILE W 19 191 ? -35.362 20.526 11.341 1.00 71.52 ? 209 ILE c CB 1 ? ? +34692 ATOM C CG1 . ILE W 19 191 ? -35.803 21.998 11.343 1.00 72.15 ? 209 ILE c CG1 1 ? ? +34693 ATOM C CG2 . ILE W 19 191 ? -34.328 20.227 12.456 1.00 71.18 ? 209 ILE c CG2 1 ? ? +34694 ATOM C CD1 . ILE W 19 191 ? -34.669 22.939 11.481 1.00 71.66 ? 209 ILE c CD1 1 ? ? +34695 ATOM C C . ILE W 19 191 ? -33.966 18.881 10.003 1.00 69.72 ? 209 ILE c C 1 ? ? +34696 ATOM O O . ILE W 19 191 ? -32.759 18.951 9.800 1.00 69.16 ? 209 ILE c O 1 ? ? +34697 ATOM N N . PHE W 19 192 ? -34.587 17.732 10.283 1.00 69.40 ? 210 PHE c N 1 ? ? +34698 ATOM C CA . PHE W 19 192 ? -33.849 16.483 10.355 1.00 68.30 ? 210 PHE c CA 1 ? ? +34699 ATOM C CB . PHE W 19 192 ? -34.597 15.459 11.203 1.00 68.66 ? 210 PHE c CB 1 ? ? +34700 ATOM C CG . PHE W 19 192 ? -34.680 15.855 12.658 1.00 69.16 ? 210 PHE c CG 1 ? ? +34701 ATOM C CD1 . PHE W 19 192 ? -33.652 15.554 13.535 1.00 68.81 ? 210 PHE c CD1 1 ? ? +34702 ATOM C CD2 . PHE W 19 192 ? -35.773 16.546 13.142 1.00 70.14 ? 210 PHE c CD2 1 ? ? +34703 ATOM C CE1 . PHE W 19 192 ? -33.718 15.931 14.866 1.00 69.36 ? 210 PHE c CE1 1 ? ? +34704 ATOM C CE2 . PHE W 19 192 ? -35.842 16.920 14.479 1.00 70.69 ? 210 PHE c CE2 1 ? ? +34705 ATOM C CZ . PHE W 19 192 ? -34.814 16.612 15.333 1.00 70.38 ? 210 PHE c CZ 1 ? ? +34706 ATOM C C . PHE W 19 192 ? -33.503 15.926 8.975 1.00 67.48 ? 210 PHE c C 1 ? ? +34707 ATOM O O . PHE W 19 192 ? -32.622 15.085 8.866 1.00 67.13 ? 210 PHE c O 1 ? ? +34708 ATOM N N . GLY W 19 193 ? -34.158 16.424 7.923 1.00 67.40 ? 211 GLY c N 1 ? ? +34709 ATOM C CA . GLY W 19 193 ? -33.831 16.055 6.557 1.00 66.67 ? 211 GLY c CA 1 ? ? +34710 ATOM C C . GLY W 19 193 ? -32.413 16.467 6.162 1.00 65.94 ? 211 GLY c C 1 ? ? +34711 ATOM O O . GLY W 19 193 ? -31.753 15.793 5.372 1.00 64.93 ? 211 GLY c O 1 ? ? +34712 ATOM N N . TYR W 19 194 ? -31.966 17.600 6.713 1.00 66.14 ? 212 TYR c N 1 ? ? +34713 ATOM C CA . TYR W 19 194 ? -30.601 18.065 6.537 1.00 65.41 ? 212 TYR c CA 1 ? ? +34714 ATOM C CB . TYR W 19 194 ? -30.392 19.387 7.288 1.00 65.41 ? 212 TYR c CB 1 ? ? +34715 ATOM C CG . TYR W 19 194 ? -30.765 20.643 6.532 1.00 65.27 ? 212 TYR c CG 1 ? ? +34716 ATOM C CD1 . TYR W 19 194 ? -29.979 21.109 5.491 1.00 64.45 ? 212 TYR c CD1 1 ? ? +34717 ATOM C CD2 . TYR W 19 194 ? -31.888 21.384 6.881 1.00 65.96 ? 212 TYR c CD2 1 ? ? +34718 ATOM C CE1 . TYR W 19 194 ? -30.298 22.278 4.813 1.00 64.61 ? 212 TYR c CE1 1 ? ? +34719 ATOM C CE2 . TYR W 19 194 ? -32.221 22.553 6.205 1.00 66.03 ? 212 TYR c CE2 1 ? ? +34720 ATOM C CZ . TYR W 19 194 ? -31.417 23.000 5.177 1.00 65.36 ? 212 TYR c CZ 1 ? ? +34721 ATOM O OH . TYR W 19 194 ? -31.714 24.145 4.497 1.00 65.48 ? 212 TYR c OH 1 ? ? +34722 ATOM C C . TYR W 19 194 ? -29.585 17.042 7.043 1.00 65.40 ? 212 TYR c C 1 ? ? +34723 ATOM O O . TYR W 19 194 ? -28.517 16.884 6.449 1.00 64.87 ? 212 TYR c O 1 ? ? +34724 ATOM N N . LEU W 19 195 ? -29.929 16.372 8.153 1.00 66.31 ? 213 LEU c N 1 ? ? +34725 ATOM C CA . LEU W 19 195 ? -29.049 15.407 8.793 1.00 66.40 ? 213 LEU c CA 1 ? ? +34726 ATOM C CB . LEU W 19 195 ? -29.605 14.978 10.158 1.00 67.63 ? 213 LEU c CB 1 ? ? +34727 ATOM C CG . LEU W 19 195 ? -29.275 15.829 11.363 1.00 68.43 ? 213 LEU c CG 1 ? ? +34728 ATOM C CD1 . LEU W 19 195 ? -29.768 15.141 12.637 1.00 69.39 ? 213 LEU c CD1 1 ? ? +34729 ATOM C CD2 . LEU W 19 195 ? -27.783 16.115 11.452 1.00 67.66 ? 213 LEU c CD2 1 ? ? +34730 ATOM C C . LEU W 19 195 ? -28.854 14.128 7.994 1.00 65.82 ? 213 LEU c C 1 ? ? +34731 ATOM O O . LEU W 19 195 ? -27.835 13.466 8.150 1.00 65.30 ? 213 LEU c O 1 ? ? +34732 ATOM N N . LEU W 19 196 ? -29.850 13.764 7.178 1.00 66.05 ? 214 LEU c N 1 ? ? +34733 ATOM C CA . LEU W 19 196 ? -29.806 12.526 6.411 1.00 65.44 ? 214 LEU c CA 1 ? ? +34734 ATOM C CB . LEU W 19 196 ? -31.192 11.871 6.454 1.00 66.54 ? 214 LEU c CB 1 ? ? +34735 ATOM C CG . LEU W 19 196 ? -31.702 11.511 7.856 1.00 67.52 ? 214 LEU c CG 1 ? ? +34736 ATOM C CD1 . LEU W 19 196 ? -33.086 10.875 7.794 1.00 68.24 ? 214 LEU c CD1 1 ? ? +34737 ATOM C CD2 . LEU W 19 196 ? -30.734 10.599 8.571 1.00 67.26 ? 214 LEU c CD2 1 ? ? +34738 ATOM C C . LEU W 19 196 ? -29.385 12.737 4.959 1.00 64.26 ? 214 LEU c C 1 ? ? +34739 ATOM O O . LEU W 19 196 ? -29.406 11.808 4.162 1.00 63.87 ? 214 LEU c O 1 ? ? +34740 ATOM N N . LYS W 19 197 ? -29.036 13.971 4.607 1.00 63.74 ? 215 LYS c N 1 ? ? +34741 ATOM C CA . LYS W 19 197 ? -28.600 14.260 3.257 1.00 63.07 ? 215 LYS c CA 1 ? ? +34742 ATOM C CB . LYS W 19 197 ? -28.965 15.711 2.956 1.00 63.69 ? 215 LYS c CB 1 ? ? +34743 ATOM C CG . LYS W 19 197 ? -27.892 16.538 2.346 1.00 63.51 ? 215 LYS c CG 1 ? ? +34744 ATOM C CD . LYS W 19 197 ? -28.428 17.763 1.587 1.00 64.03 ? 215 LYS c CD 1 ? ? +34745 ATOM C CE . LYS W 19 197 ? -29.626 18.403 2.186 1.00 64.96 ? 215 LYS c CE 1 ? ? +34746 ATOM N NZ . LYS W 19 197 ? -29.793 19.757 1.612 1.00 65.46 ? 215 LYS c NZ 1 ? ? +34747 ATOM C C . LYS W 19 197 ? -27.124 13.889 3.083 1.00 61.82 ? 215 LYS c C 1 ? ? +34748 ATOM O O . LYS W 19 197 ? -26.334 13.936 4.017 1.00 61.38 ? 215 LYS c O 1 ? ? +34749 ATOM N N . SER W 19 198 ? -26.788 13.445 1.873 1.00 61.07 ? 216 SER c N 1 ? ? +34750 ATOM C CA . SER W 19 198 ? -25.433 13.044 1.528 1.00 60.12 ? 216 SER c CA 1 ? ? +34751 ATOM C CB . SER W 19 198 ? -25.353 12.575 0.077 1.00 59.65 ? 216 SER c CB 1 ? ? +34752 ATOM O OG . SER W 19 198 ? -24.018 12.463 -0.384 1.00 58.93 ? 216 SER c OG 1 ? ? +34753 ATOM C C . SER W 19 198 ? -24.441 14.185 1.731 1.00 59.84 ? 216 SER c C 1 ? ? +34754 ATOM O O . SER W 19 198 ? -24.758 15.335 1.455 1.00 60.08 ? 216 SER c O 1 ? ? +34755 ATOM N N A PRO W 19 199 ? -23.225 13.903 2.241 0.40 59.32 ? 217 PRO c N 1 ? ? +34756 ATOM N N B PRO W 19 199 ? -23.207 13.899 2.206 0.60 59.30 ? 217 PRO c N 1 ? ? +34757 ATOM C CA A PRO W 19 199 ? -22.182 14.923 2.358 0.40 59.10 ? 217 PRO c CA 1 ? ? +34758 ATOM C CA B PRO W 19 199 ? -22.164 14.921 2.340 0.60 59.07 ? 217 PRO c CA 1 ? ? +34759 ATOM C C A PRO W 19 199 ? -21.367 15.185 1.094 0.40 58.55 ? 217 PRO c C 1 ? ? +34760 ATOM C C B PRO W 19 199 ? -21.354 15.245 1.085 0.60 58.50 ? 217 PRO c C 1 ? ? +34761 ATOM O O A PRO W 19 199 ? -20.320 15.825 1.157 0.40 58.34 ? 217 PRO c O 1 ? ? +34762 ATOM O O B PRO W 19 199 ? -20.386 15.997 1.151 0.60 58.42 ? 217 PRO c O 1 ? ? +34763 ATOM C CB A PRO W 19 199 ? -21.298 14.345 3.457 0.40 58.89 ? 217 PRO c CB 1 ? ? +34764 ATOM C CB B PRO W 19 199 ? -21.246 14.297 3.389 0.60 58.85 ? 217 PRO c CB 1 ? ? +34765 ATOM C CG A PRO W 19 199 ? -21.396 12.851 3.248 0.40 58.60 ? 217 PRO c CG 1 ? ? +34766 ATOM C CG B PRO W 19 199 ? -21.325 12.830 3.091 0.60 58.55 ? 217 PRO c CG 1 ? ? +34767 ATOM C CD A PRO W 19 199 ? -22.809 12.601 2.788 0.40 59.01 ? 217 PRO c CD 1 ? ? +34768 ATOM C CD B PRO W 19 199 ? -22.765 12.582 2.696 0.60 58.96 ? 217 PRO c CD 1 ? ? +34769 ATOM N N A PHE W 19 200 ? -21.847 14.684 -0.050 0.40 58.41 ? 218 PHE c N 1 ? ? +34770 ATOM N N B PHE W 19 200 ? -21.743 14.669 -0.055 0.60 58.23 ? 218 PHE c N 1 ? ? +34771 ATOM C CA A PHE W 19 200 ? -21.118 14.798 -1.303 0.40 57.80 ? 218 PHE c CA 1 ? ? +34772 ATOM C CA B PHE W 19 200 ? -21.008 14.841 -1.297 0.60 57.55 ? 218 PHE c CA 1 ? ? +34773 ATOM C C A PHE W 19 200 ? -21.642 15.955 -2.148 0.40 58.03 ? 218 PHE c C 1 ? ? +34774 ATOM C C B PHE W 19 200 ? -21.557 16.000 -2.128 0.60 57.77 ? 218 PHE c C 1 ? ? +34775 ATOM O O A PHE W 19 200 ? -22.592 16.633 -1.758 0.40 58.51 ? 218 PHE c O 1 ? ? +34776 ATOM O O B PHE W 19 200 ? -22.509 16.672 -1.723 0.60 58.19 ? 218 PHE c O 1 ? ? +34777 ATOM C CB A PHE W 19 200 ? -21.179 13.473 -2.072 0.40 57.45 ? 218 PHE c CB 1 ? ? +34778 ATOM C CB B PHE W 19 200 ? -21.041 13.523 -2.070 0.60 57.15 ? 218 PHE c CB 1 ? ? +34779 ATOM C CG A PHE W 19 200 ? -20.278 12.428 -1.477 0.40 57.12 ? 218 PHE c CG 1 ? ? +34780 ATOM C CG B PHE W 19 200 ? -20.182 12.476 -1.430 0.60 56.84 ? 218 PHE c CG 1 ? ? +34781 ATOM C CD1 A PHE W 19 200 ? -18.912 12.444 -1.724 0.40 56.59 ? 218 PHE c CD1 1 ? ? +34782 ATOM C CD1 B PHE W 19 200 ? -18.809 12.463 -1.633 0.60 56.32 ? 218 PHE c CD1 1 ? ? +34783 ATOM C CD2 A PHE W 19 200 ? -20.781 11.455 -0.633 0.40 57.42 ? 218 PHE c CD2 1 ? ? +34784 ATOM C CD2 B PHE W 19 200 ? -20.734 11.525 -0.590 0.60 57.17 ? 218 PHE c CD2 1 ? ? +34785 ATOM C CE1 A PHE W 19 200 ? -18.077 11.489 -1.160 0.40 56.24 ? 218 PHE c CE1 1 ? ? +34786 ATOM C CE1 B PHE W 19 200 ? -18.009 11.498 -1.028 0.60 55.98 ? 218 PHE c CE1 1 ? ? +34787 ATOM C CE2 A PHE W 19 200 ? -19.940 10.506 -0.067 0.40 57.15 ? 218 PHE c CE2 1 ? ? +34788 ATOM C CE2 B PHE W 19 200 ? -19.929 10.566 0.019 0.60 56.93 ? 218 PHE c CE2 1 ? ? +34789 ATOM C CZ A PHE W 19 200 ? -18.593 10.528 -0.335 0.40 56.51 ? 218 PHE c CZ 1 ? ? +34790 ATOM C CZ B PHE W 19 200 ? -18.571 10.558 -0.204 0.60 56.27 ? 218 PHE c CZ 1 ? ? +34791 ATOM N N A GLY W 19 201 ? -20.993 16.177 -3.295 0.40 57.57 ? 219 GLY c N 1 ? ? +34792 ATOM N N B GLY W 19 201 ? -20.925 16.228 -3.288 0.60 57.30 ? 219 GLY c N 1 ? ? +34793 ATOM C CA A GLY W 19 201 ? -21.277 17.326 -4.136 0.40 57.83 ? 219 GLY c CA 1 ? ? +34794 ATOM C CA B GLY W 19 201 ? -21.252 17.344 -4.158 0.60 57.59 ? 219 GLY c CA 1 ? ? +34795 ATOM C C A GLY W 19 201 ? -22.754 17.465 -4.489 0.40 58.41 ? 219 GLY c C 1 ? ? +34796 ATOM C C B GLY W 19 201 ? -22.739 17.475 -4.477 0.60 58.20 ? 219 GLY c C 1 ? ? +34797 ATOM O O A GLY W 19 201 ? -23.426 16.471 -4.763 0.40 58.44 ? 219 GLY c O 1 ? ? +34798 ATOM O O B GLY W 19 201 ? -23.425 16.475 -4.686 0.60 58.23 ? 219 GLY c O 1 ? ? +34799 ATOM N N A GLY W 19 202 ? -23.241 18.711 -4.477 0.40 58.96 ? 220 GLY c N 1 ? ? +34800 ATOM N N B GLY W 19 202 ? -23.220 18.725 -4.497 0.60 58.75 ? 220 GLY c N 1 ? ? +34801 ATOM C CA A GLY W 19 202 ? -24.616 19.010 -4.841 0.40 59.63 ? 220 GLY c CA 1 ? ? +34802 ATOM C CA B GLY W 19 202 ? -24.602 19.024 -4.840 0.60 59.46 ? 220 GLY c CA 1 ? ? +34803 ATOM C C A GLY W 19 202 ? -25.622 18.748 -3.725 0.40 60.25 ? 220 GLY c C 1 ? ? +34804 ATOM C C B GLY W 19 202 ? -25.617 18.721 -3.740 0.60 60.11 ? 220 GLY c C 1 ? ? +34805 ATOM O O A GLY W 19 202 ? -26.799 19.049 -3.880 0.40 60.84 ? 220 GLY c O 1 ? ? +34806 ATOM O O B GLY W 19 202 ? -26.799 18.972 -3.926 0.60 60.68 ? 220 GLY c O 1 ? ? +34807 ATOM N N . GLU W 19 203 ? -25.136 18.200 -2.604 1.00 60.18 ? 221 GLU c N 1 ? ? +34808 ATOM C CA . GLU W 19 203 ? -25.957 17.875 -1.447 1.00 60.92 ? 221 GLU c CA 1 ? ? +34809 ATOM C CB . GLU W 19 203 ? -25.994 16.362 -1.245 1.00 61.20 ? 221 GLU c CB 1 ? ? +34810 ATOM C CG . GLU W 19 203 ? -26.571 15.595 -2.419 1.00 61.63 ? 221 GLU c CG 1 ? ? +34811 ATOM C CD . GLU W 19 203 ? -28.082 15.629 -2.564 1.00 63.07 ? 221 GLU c CD 1 ? ? +34812 ATOM O OE1 . GLU W 19 203 ? -28.794 16.267 -1.751 1.00 63.89 ? 221 GLU c OE1 1 ? ? +34813 ATOM O OE2 . GLU W 19 203 ? -28.556 14.989 -3.530 1.00 63.94 ? 221 GLU c OE2 1 ? ? +34814 ATOM C C . GLU W 19 203 ? -25.402 18.581 -0.210 1.00 60.86 ? 221 GLU c C 1 ? ? +34815 ATOM O O . GLU W 19 203 ? -26.008 19.512 0.294 1.00 61.68 ? 221 GLU c O 1 ? ? +34816 ATOM N N . GLY W 19 204 ? -24.241 18.142 0.279 1.00 60.40 ? 222 GLY c N 1 ? ? +34817 ATOM C CA . GLY W 19 204 ? -23.449 18.908 1.234 1.00 60.23 ? 222 GLY c CA 1 ? ? +34818 ATOM C C . GLY W 19 204 ? -23.836 18.768 2.705 1.00 60.51 ? 222 GLY c C 1 ? ? +34819 ATOM O O . GLY W 19 204 ? -23.347 19.523 3.534 1.00 60.44 ? 222 GLY c O 1 ? ? +34820 ATOM N N . TRP W 19 205 ? -24.715 17.806 3.013 1.00 60.75 ? 223 TRP c N 1 ? ? +34821 ATOM C CA . TRP W 19 205 ? -25.139 17.527 4.377 1.00 61.20 ? 223 TRP c CA 1 ? ? +34822 ATOM C CB . TRP W 19 205 ? -23.990 16.810 5.136 1.00 60.95 ? 223 TRP c CB 1 ? ? +34823 ATOM C CG . TRP W 19 205 ? -24.401 16.202 6.440 1.00 61.72 ? 223 TRP c CG 1 ? ? +34824 ATOM C CD1 . TRP W 19 205 ? -25.519 15.463 6.689 1.00 62.34 ? 223 TRP c CD1 1 ? ? +34825 ATOM N NE1 . TRP W 19 205 ? -25.551 15.088 8.006 1.00 62.82 ? 223 TRP c NE1 1 ? ? +34826 ATOM C CE2 . TRP W 19 205 ? -24.444 15.582 8.637 1.00 62.58 ? 223 TRP c CE2 1 ? ? +34827 ATOM C CZ2 . TRP W 19 205 ? -24.045 15.476 9.965 1.00 62.95 ? 223 TRP c CZ2 1 ? ? +34828 ATOM C CH2 . TRP W 19 205 ? -22.869 16.081 10.322 1.00 62.79 ? 223 TRP c CH2 1 ? ? +34829 ATOM C CZ3 . TRP W 19 205 ? -22.093 16.782 9.388 1.00 62.39 ? 223 TRP c CZ3 1 ? ? +34830 ATOM C CE3 . TRP W 19 205 ? -22.491 16.891 8.067 1.00 62.07 ? 223 TRP c CE3 1 ? ? +34831 ATOM C CD2 . TRP W 19 205 ? -23.694 16.288 7.676 1.00 62.09 ? 223 TRP c CD2 1 ? ? +34832 ATOM C C . TRP W 19 205 ? -25.676 18.814 5.015 1.00 61.46 ? 223 TRP c C 1 ? ? +34833 ATOM O O . TRP W 19 205 ? -26.426 19.537 4.365 1.00 61.77 ? 223 TRP c O 1 ? ? +34834 ATOM N N . ILE W 19 206 ? -25.291 19.121 6.262 1.00 61.29 ? 224 ILE c N 1 ? ? +34835 ATOM C CA . ILE W 19 206 ? -25.771 20.321 6.932 1.00 61.67 ? 224 ILE c CA 1 ? ? +34836 ATOM C CB . ILE W 19 206 ? -25.622 20.175 8.474 1.00 62.14 ? 224 ILE c CB 1 ? ? +34837 ATOM C CG1 . ILE W 19 206 ? -24.153 20.220 8.922 1.00 61.77 ? 224 ILE c CG1 1 ? ? +34838 ATOM C CG2 . ILE W 19 206 ? -26.303 18.901 8.968 1.00 62.36 ? 224 ILE c CG2 1 ? ? +34839 ATOM C CD1 . ILE W 19 206 ? -23.945 20.172 10.418 1.00 62.13 ? 224 ILE c CD1 1 ? ? +34840 ATOM C C . ILE W 19 206 ? -25.107 21.603 6.434 1.00 61.14 ? 224 ILE c C 1 ? ? +34841 ATOM O O . ILE W 19 206 ? -25.615 22.690 6.677 1.00 61.55 ? 224 ILE c O 1 ? ? +34842 ATOM N N . VAL W 19 207 ? -23.959 21.476 5.754 1.00 60.15 ? 225 VAL c N 1 ? ? +34843 ATOM C CA . VAL W 19 207 ? -23.235 22.629 5.236 1.00 59.71 ? 225 VAL c CA 1 ? ? +34844 ATOM C CB . VAL W 19 207 ? -21.834 22.230 4.694 1.00 58.82 ? 225 VAL c CB 1 ? ? +34845 ATOM C CG1 . VAL W 19 207 ? -21.049 23.438 4.180 1.00 58.65 ? 225 VAL c CG1 1 ? ? +34846 ATOM C CG2 . VAL W 19 207 ? -21.032 21.498 5.750 1.00 58.63 ? 225 VAL c CG2 1 ? ? +34847 ATOM C C . VAL W 19 207 ? -24.061 23.346 4.169 1.00 59.72 ? 225 VAL c C 1 ? ? +34848 ATOM O O . VAL W 19 207 ? -23.830 24.517 3.893 1.00 59.70 ? 225 VAL c O 1 ? ? +34849 ATOM N N . SER W 19 208 ? -25.038 22.641 3.589 1.00 59.75 ? 226 SER c N 1 ? ? +34850 ATOM C CA . SER W 19 208 ? -25.906 23.209 2.566 1.00 60.01 ? 226 SER c CA 1 ? ? +34851 ATOM C CB . SER W 19 208 ? -26.571 22.101 1.761 1.00 59.84 ? 226 SER c CB 1 ? ? +34852 ATOM O OG . SER W 19 208 ? -27.398 21.292 2.573 1.00 60.21 ? 226 SER c OG 1 ? ? +34853 ATOM C C . SER W 19 208 ? -27.011 24.157 3.031 1.00 60.80 ? 226 SER c C 1 ? ? +34854 ATOM O O . SER W 19 208 ? -27.717 24.715 2.196 1.00 61.10 ? 226 SER c O 1 ? ? +34855 ATOM N N . VAL W 19 209 ? -27.160 24.361 4.346 1.00 61.15 ? 227 VAL c N 1 ? ? +34856 ATOM C CA . VAL W 19 209 ? -28.204 25.240 4.846 1.00 61.94 ? 227 VAL c CA 1 ? ? +34857 ATOM C CB . VAL W 19 209 ? -28.288 25.271 6.387 1.00 62.36 ? 227 VAL c CB 1 ? ? +34858 ATOM C CG1 . VAL W 19 209 ? -27.016 25.809 7.023 1.00 62.04 ? 227 VAL c CG1 1 ? ? +34859 ATOM C CG2 . VAL W 19 209 ? -29.511 26.076 6.840 1.00 63.34 ? 227 VAL c CG2 1 ? ? +34860 ATOM C C . VAL W 19 209 ? -28.024 26.639 4.262 1.00 62.10 ? 227 VAL c C 1 ? ? +34861 ATOM O O . VAL W 19 209 ? -26.974 27.258 4.425 1.00 61.88 ? 227 VAL c O 1 ? ? +34862 ATOM N N . ASN W 19 210 ? -29.077 27.133 3.602 1.00 62.52 ? 228 ASN c N 1 ? ? +34863 ATOM C CA . ASN W 19 210 ? -28.978 28.300 2.740 1.00 62.58 ? 228 ASN c CA 1 ? ? +34864 ATOM C CB . ASN W 19 210 ? -29.106 27.839 1.297 1.00 62.27 ? 228 ASN c CB 1 ? ? +34865 ATOM C CG . ASN W 19 210 ? -30.442 27.244 0.946 1.00 62.74 ? 228 ASN c CG 1 ? ? +34866 ATOM O OD1 . ASN W 19 210 ? -31.354 27.087 1.772 1.00 63.40 ? 228 ASN c OD1 1 ? ? +34867 ATOM N ND2 . ASN W 19 210 ? -30.570 26.894 -0.303 1.00 62.50 ? 228 ASN c ND2 1 ? ? +34868 ATOM C C . ASN W 19 210 ? -30.000 29.404 3.019 1.00 63.35 ? 228 ASN c C 1 ? ? +34869 ATOM O O . ASN W 19 210 ? -30.240 30.263 2.176 1.00 63.53 ? 228 ASN c O 1 ? ? +34870 ATOM N N . ASN W 19 211 ? -30.595 29.383 4.210 1.00 63.81 ? 229 ASN c N 1 ? ? +34871 ATOM C CA . ASN W 19 211 ? -31.572 30.385 4.588 1.00 64.72 ? 229 ASN c CA 1 ? ? +34872 ATOM C CB . ASN W 19 211 ? -32.930 30.112 3.922 1.00 65.20 ? 229 ASN c CB 1 ? ? +34873 ATOM C CG . ASN W 19 211 ? -33.613 28.906 4.480 1.00 65.31 ? 229 ASN c CG 1 ? ? +34874 ATOM O OD1 . ASN W 19 211 ? -34.370 28.978 5.457 1.00 66.00 ? 229 ASN c OD1 1 ? ? +34875 ATOM N ND2 . ASN W 19 211 ? -33.358 27.770 3.868 1.00 64.70 ? 229 ASN c ND2 1 ? ? +34876 ATOM C C . ASN W 19 211 ? -31.676 30.425 6.109 1.00 65.12 ? 229 ASN c C 1 ? ? +34877 ATOM O O . ASN W 19 211 ? -31.407 29.435 6.788 1.00 64.73 ? 229 ASN c O 1 ? ? +34878 ATOM N N . LEU W 19 212 ? -32.078 31.589 6.625 1.00 65.90 ? 230 LEU c N 1 ? ? +34879 ATOM C CA . LEU W 19 212 ? -32.046 31.836 8.053 1.00 66.32 ? 230 LEU c CA 1 ? ? +34880 ATOM C CB . LEU W 19 212 ? -31.989 33.349 8.306 1.00 66.90 ? 230 LEU c CB 1 ? ? +34881 ATOM C CG . LEU W 19 212 ? -30.699 34.048 7.826 1.00 66.37 ? 230 LEU c CG 1 ? ? +34882 ATOM C CD1 . LEU W 19 212 ? -30.612 35.457 8.365 1.00 66.98 ? 230 LEU c CD1 1 ? ? +34883 ATOM C CD2 . LEU W 19 212 ? -29.462 33.283 8.224 1.00 65.55 ? 230 LEU c CD2 1 ? ? +34884 ATOM C C . LEU W 19 212 ? -33.233 31.211 8.775 1.00 66.94 ? 230 LEU c C 1 ? ? +34885 ATOM O O . LEU W 19 212 ? -33.114 30.898 9.957 1.00 67.09 ? 230 LEU c O 1 ? ? +34886 ATOM N N . GLU W 19 213 ? -34.360 31.015 8.075 1.00 67.34 ? 231 GLU c N 1 ? ? +34887 ATOM C CA . GLU W 19 213 ? -35.508 30.361 8.685 1.00 67.98 ? 231 GLU c CA 1 ? ? +34888 ATOM C CB . GLU W 19 213 ? -36.713 30.299 7.733 1.00 68.44 ? 231 GLU c CB 1 ? ? +34889 ATOM C CG . GLU W 19 213 ? -37.453 31.614 7.609 1.00 69.28 ? 231 GLU c CG 1 ? ? +34890 ATOM C CD . GLU W 19 213 ? -36.834 32.624 6.668 1.00 69.04 ? 231 GLU c CD 1 ? ? +34891 ATOM O OE1 . GLU W 19 213 ? -35.915 32.269 5.899 1.00 68.29 ? 231 GLU c OE1 1 ? ? +34892 ATOM O OE2 . GLU W 19 213 ? -37.273 33.792 6.703 1.00 69.72 ? 231 GLU c OE2 1 ? ? +34893 ATOM C C . GLU W 19 213 ? -35.149 28.950 9.147 1.00 67.47 ? 231 GLU c C 1 ? ? +34894 ATOM O O . GLU W 19 213 ? -35.548 28.526 10.235 1.00 67.82 ? 231 GLU c O 1 ? ? +34895 ATOM N N . ASP W 19 214 ? -34.399 28.234 8.300 1.00 66.61 ? 232 ASP c N 1 ? ? +34896 ATOM C CA . ASP W 19 214 ? -33.911 26.906 8.629 1.00 66.10 ? 232 ASP c CA 1 ? ? +34897 ATOM C CB . ASP W 19 214 ? -33.341 26.203 7.377 1.00 65.29 ? 232 ASP c CB 1 ? ? +34898 ATOM C CG . ASP W 19 214 ? -34.402 25.718 6.396 1.00 65.57 ? 232 ASP c CG 1 ? ? +34899 ATOM O OD1 . ASP W 19 214 ? -35.646 25.904 6.690 1.00 66.38 ? 232 ASP c OD1 1 ? ? +34900 ATOM O OD2 . ASP W 19 214 ? -34.015 25.139 5.348 1.00 64.90 ? 232 ASP c OD2 1 ? ? +34901 ATOM C C . ASP W 19 214 ? -32.859 26.950 9.736 1.00 65.83 ? 232 ASP c C 1 ? ? +34902 ATOM O O . ASP W 19 214 ? -32.849 26.078 10.603 1.00 65.83 ? 232 ASP c O 1 ? ? +34903 ATOM N N . VAL W 19 215 ? -31.981 27.962 9.706 1.00 65.65 ? 233 VAL c N 1 ? ? +34904 ATOM C CA . VAL W 19 215 ? -31.003 28.149 10.768 1.00 65.46 ? 233 VAL c CA 1 ? ? +34905 ATOM C CB . VAL W 19 215 ? -30.039 29.335 10.494 1.00 65.23 ? 233 VAL c CB 1 ? ? +34906 ATOM C CG1 . VAL W 19 215 ? -29.197 29.658 11.722 1.00 65.21 ? 233 VAL c CG1 1 ? ? +34907 ATOM C CG2 . VAL W 19 215 ? -29.157 29.067 9.288 1.00 64.40 ? 233 VAL c CG2 1 ? ? +34908 ATOM C C . VAL W 19 215 ? -31.717 28.345 12.103 1.00 66.21 ? 233 VAL c C 1 ? ? +34909 ATOM O O . VAL W 19 215 ? -31.482 27.603 13.051 1.00 66.14 ? 233 VAL c O 1 ? ? +34910 ATOM N N . VAL W 19 216 ? -32.592 29.352 12.169 1.00 66.98 ? 234 VAL c N 1 ? ? +34911 ATOM C CA . VAL W 19 216 ? -33.273 29.686 13.407 1.00 67.77 ? 234 VAL c CA 1 ? ? +34912 ATOM C CB . VAL W 19 216 ? -34.120 30.955 13.238 1.00 68.59 ? 234 VAL c CB 1 ? ? +34913 ATOM C CG1 . VAL W 19 216 ? -34.970 31.227 14.479 1.00 69.54 ? 234 VAL c CG1 1 ? ? +34914 ATOM C CG2 . VAL W 19 216 ? -33.244 32.156 12.910 1.00 68.37 ? 234 VAL c CG2 1 ? ? +34915 ATOM C C . VAL W 19 216 ? -34.110 28.503 13.885 1.00 68.07 ? 234 VAL c C 1 ? ? +34916 ATOM O O . VAL W 19 216 ? -34.124 28.185 15.071 1.00 68.35 ? 234 VAL c O 1 ? ? +34917 ATOM N N . GLY W 19 217 ? -34.817 27.862 12.951 1.00 68.08 ? 235 GLY c N 1 ? ? +34918 ATOM C CA . GLY W 19 217 ? -35.636 26.705 13.271 1.00 68.40 ? 235 GLY c CA 1 ? ? +34919 ATOM C C . GLY W 19 217 ? -34.823 25.548 13.836 1.00 67.83 ? 235 GLY c C 1 ? ? +34920 ATOM O O . GLY W 19 217 ? -35.261 24.857 14.752 1.00 68.13 ? 235 GLY c O 1 ? ? +34921 ATOM N N . GLY W 19 218 ? -33.630 25.357 13.267 1.00 67.05 ? 236 GLY c N 1 ? ? +34922 ATOM C CA . GLY W 19 218 ? -32.694 24.347 13.731 1.00 66.47 ? 236 GLY c CA 1 ? ? +34923 ATOM C C . GLY W 19 218 ? -32.258 24.552 15.175 1.00 66.74 ? 236 GLY c C 1 ? ? +34924 ATOM O O . GLY W 19 218 ? -32.041 23.587 15.896 1.00 66.63 ? 236 GLY c O 1 ? ? +34925 ATOM N N . HIS W 19 219 ? -32.139 25.815 15.586 1.00 67.21 ? 237 HIS c N 1 ? ? +34926 ATOM C CA . HIS W 19 219 ? -31.737 26.130 16.946 1.00 67.64 ? 237 HIS c CA 1 ? ? +34927 ATOM C CB . HIS W 19 219 ? -31.084 27.503 16.964 1.00 67.57 ? 237 HIS c CB 1 ? ? +34928 ATOM C CG . HIS W 19 219 ? -29.736 27.435 16.322 1.00 66.64 ? 237 HIS c CG 1 ? ? +34929 ATOM N ND1 . HIS W 19 219 ? -28.699 26.834 16.958 1.00 66.10 ? 237 HIS c ND1 1 ? ? +34930 ATOM C CE1 . HIS W 19 219 ? -27.694 26.880 16.117 1.00 65.35 ? 237 HIS c CE1 1 ? ? +34931 ATOM N NE2 . HIS W 19 219 ? -28.033 27.464 14.977 1.00 65.30 ? 237 HIS c NE2 1 ? ? +34932 ATOM C CD2 . HIS W 19 219 ? -29.337 27.817 15.091 1.00 66.12 ? 237 HIS c CD2 1 ? ? +34933 ATOM C C . HIS W 19 219 ? -32.880 26.010 17.955 1.00 68.80 ? 237 HIS c C 1 ? ? +34934 ATOM O O . HIS W 19 219 ? -32.640 25.728 19.131 1.00 69.12 ? 237 HIS c O 1 ? ? +34935 ATOM N N . ILE W 19 220 ? -34.120 26.205 17.500 1.00 69.52 ? 238 ILE c N 1 ? ? +34936 ATOM C CA . ILE W 19 220 ? -35.260 25.915 18.350 1.00 70.59 ? 238 ILE c CA 1 ? ? +34937 ATOM C CB . ILE W 19 220 ? -36.589 26.346 17.682 1.00 71.23 ? 238 ILE c CB 1 ? ? +34938 ATOM C CG1 . ILE W 19 220 ? -36.685 27.885 17.638 1.00 71.70 ? 238 ILE c CG1 1 ? ? +34939 ATOM C CG2 . ILE W 19 220 ? -37.794 25.732 18.392 1.00 72.01 ? 238 ILE c CG2 1 ? ? +34940 ATOM C CD1 . ILE W 19 220 ? -37.563 28.423 16.597 1.00 72.08 ? 238 ILE c CD1 1 ? ? +34941 ATOM C C . ILE W 19 220 ? -35.212 24.435 18.722 1.00 70.57 ? 238 ILE c C 1 ? ? +34942 ATOM O O . ILE W 19 220 ? -35.301 24.088 19.896 1.00 70.93 ? 238 ILE c O 1 ? ? +34943 ATOM N N . TRP W 19 221 ? -35.030 23.574 17.717 1.00 70.32 ? 239 TRP c N 1 ? ? +34944 ATOM C CA . TRP W 19 221 ? -35.005 22.138 17.938 1.00 70.52 ? 239 TRP c CA 1 ? ? +34945 ATOM C CB . TRP W 19 221 ? -34.952 21.373 16.601 1.00 70.31 ? 239 TRP c CB 1 ? ? +34946 ATOM C CG . TRP W 19 221 ? -36.311 21.122 16.020 1.00 71.34 ? 239 TRP c CG 1 ? ? +34947 ATOM C CD1 . TRP W 19 221 ? -36.919 21.811 15.015 1.00 71.82 ? 239 TRP c CD1 1 ? ? +34948 ATOM N NE1 . TRP W 19 221 ? -38.166 21.285 14.770 1.00 72.59 ? 239 TRP c NE1 1 ? ? +34949 ATOM C CE2 . TRP W 19 221 ? -38.371 20.221 15.604 1.00 72.78 ? 239 TRP c CE2 1 ? ? +34950 ATOM C CZ2 . TRP W 19 221 ? -39.466 19.368 15.724 1.00 73.61 ? 239 TRP c CZ2 1 ? ? +34951 ATOM C CH2 . TRP W 19 221 ? -39.390 18.368 16.668 1.00 73.72 ? 239 TRP c CH2 1 ? ? +34952 ATOM C CZ3 . TRP W 19 221 ? -38.261 18.211 17.476 1.00 73.16 ? 239 TRP c CZ3 1 ? ? +34953 ATOM C CE3 . TRP W 19 221 ? -37.178 19.065 17.362 1.00 72.41 ? 239 TRP c CE3 1 ? ? +34954 ATOM C CD2 . TRP W 19 221 ? -37.223 20.092 16.410 1.00 72.12 ? 239 TRP c CD2 1 ? ? +34955 ATOM C C . TRP W 19 221 ? -33.856 21.709 18.845 1.00 70.07 ? 239 TRP c C 1 ? ? +34956 ATOM O O . TRP W 19 221 ? -34.076 20.984 19.811 1.00 70.30 ? 239 TRP c O 1 ? ? +34957 ATOM N N . ILE W 19 222 ? -32.643 22.180 18.531 1.00 69.52 ? 240 ILE c N 1 ? ? +34958 ATOM C CA . ILE W 19 222 ? -31.461 21.872 19.317 1.00 69.21 ? 240 ILE c CA 1 ? ? +34959 ATOM C CB . ILE W 19 222 ? -30.186 22.463 18.660 1.00 68.55 ? 240 ILE c CB 1 ? ? +34960 ATOM C CG1 . ILE W 19 222 ? -29.698 21.600 17.515 1.00 67.76 ? 240 ILE c CG1 1 ? ? +34961 ATOM C CG2 . ILE W 19 222 ? -29.044 22.658 19.662 1.00 68.45 ? 240 ILE c CG2 1 ? ? +34962 ATOM C CD1 . ILE W 19 222 ? -29.398 20.154 17.895 1.00 67.51 ? 240 ILE c CD1 1 ? ? +34963 ATOM C C . ILE W 19 222 ? -31.601 22.355 20.756 1.00 69.91 ? 240 ILE c C 1 ? ? +34964 ATOM O O . ILE W 19 222 ? -31.206 21.653 21.682 1.00 69.99 ? 240 ILE c O 1 ? ? +34965 ATOM N N . GLY W 19 223 ? -32.139 23.565 20.927 1.00 70.51 ? 241 GLY c N 1 ? ? +34966 ATOM C CA . GLY W 19 223 ? -32.422 24.096 22.249 1.00 71.40 ? 241 GLY c CA 1 ? ? +34967 ATOM C C . GLY W 19 223 ? -33.317 23.197 23.101 1.00 72.13 ? 241 GLY c C 1 ? ? +34968 ATOM O O . GLY W 19 223 ? -32.994 22.928 24.255 1.00 72.65 ? 241 GLY c O 1 ? ? +34969 ATOM N N . LEU W 19 224 ? -34.448 22.746 22.539 1.00 72.32 ? 242 LEU c N 1 ? ? +34970 ATOM C CA . LEU W 19 224 ? -35.375 21.900 23.274 1.00 72.88 ? 242 LEU c CA 1 ? ? +34971 ATOM C CB . LEU W 19 224 ? -36.689 21.726 22.502 1.00 73.37 ? 242 LEU c CB 1 ? ? +34972 ATOM C CG . LEU W 19 224 ? -37.529 23.005 22.255 1.00 74.06 ? 242 LEU c CG 1 ? ? +34973 ATOM C CD1 . LEU W 19 224 ? -38.972 22.640 21.971 1.00 74.84 ? 242 LEU c CD1 1 ? ? +34974 ATOM C CD2 . LEU W 19 224 ? -37.479 24.014 23.438 1.00 74.66 ? 242 LEU c CD2 1 ? ? +34975 ATOM C C . LEU W 19 224 ? -34.780 20.526 23.555 1.00 72.29 ? 242 LEU c C 1 ? ? +34976 ATOM O O . LEU W 19 224 ? -34.916 19.995 24.656 1.00 72.60 ? 242 LEU c O 1 ? ? +34977 ATOM N N . ILE W 19 225 ? -34.113 19.958 22.551 1.00 71.42 ? 243 ILE c N 1 ? ? +34978 ATOM C CA . ILE W 19 225 ? -33.510 18.643 22.701 1.00 70.95 ? 243 ILE c CA 1 ? ? +34979 ATOM C CB . ILE W 19 225 ? -32.983 18.142 21.346 1.00 70.13 ? 243 ILE c CB 1 ? ? +34980 ATOM C CG1 . ILE W 19 225 ? -34.134 17.899 20.356 1.00 70.40 ? 243 ILE c CG1 1 ? ? +34981 ATOM C CG2 . ILE W 19 225 ? -32.164 16.882 21.508 1.00 69.61 ? 243 ILE c CG2 1 ? ? +34982 ATOM C CD1 . ILE W 19 225 ? -33.645 17.600 18.873 1.00 69.53 ? 243 ILE c CD1 1 ? ? +34983 ATOM C C . ILE W 19 225 ? -32.438 18.650 23.794 1.00 70.67 ? 243 ILE c C 1 ? ? +34984 ATOM O O . ILE W 19 225 ? -32.357 17.714 24.585 1.00 70.78 ? 243 ILE c O 1 ? ? +34985 ATOM N N . CYS W 19 226 ? -31.650 19.728 23.860 1.00 70.34 ? 244 CYS c N 1 ? ? +34986 ATOM C CA . CYS W 19 226 ? -30.633 19.873 24.890 1.00 70.22 ? 244 CYS c CA 1 ? ? +34987 ATOM C CB . CYS W 19 226 ? -29.675 21.019 24.560 1.00 69.85 ? 244 CYS c CB 1 ? ? +34988 ATOM S SG . CYS W 19 226 ? -28.462 20.613 23.282 1.00 68.59 ? 244 CYS c SG 1 ? ? +34989 ATOM C C . CYS W 19 226 ? -31.201 20.018 26.302 1.00 70.98 ? 244 CYS c C 1 ? ? +34990 ATOM O O . CYS W 19 226 ? -30.710 19.375 27.226 1.00 71.02 ? 244 CYS c O 1 ? ? +34991 ATOM N N A ILE W 19 227 ? -32.234 20.855 26.468 0.50 71.76 ? 245 ILE c N 1 ? ? +34992 ATOM N N B ILE W 19 227 ? -32.214 20.872 26.466 0.50 71.70 ? 245 ILE c N 1 ? ? +34993 ATOM C CA A ILE W 19 227 ? -32.863 21.013 27.772 0.50 72.65 ? 245 ILE c CA 1 ? ? +34994 ATOM C CA B ILE W 19 227 ? -32.867 21.023 27.757 0.50 72.56 ? 245 ILE c CA 1 ? ? +34995 ATOM C C A ILE W 19 227 ? -33.547 19.710 28.185 0.50 72.94 ? 245 ILE c C 1 ? ? +34996 ATOM C C B ILE W 19 227 ? -33.494 19.691 28.166 0.50 72.85 ? 245 ILE c C 1 ? ? +34997 ATOM O O A ILE W 19 227 ? -33.474 19.313 29.344 0.50 73.38 ? 245 ILE c O 1 ? ? +34998 ATOM O O B ILE W 19 227 ? -33.331 19.257 29.302 0.50 73.21 ? 245 ILE c O 1 ? ? +34999 ATOM C CB A ILE W 19 227 ? -33.826 22.231 27.834 0.50 73.42 ? 245 ILE c CB 1 ? ? +35000 ATOM C CB B ILE W 19 227 ? -33.886 22.185 27.749 0.50 73.26 ? 245 ILE c CB 1 ? ? +35001 ATOM C CG1 A ILE W 19 227 ? -35.027 22.079 26.912 0.50 73.68 ? 245 ILE c CG1 1 ? ? +35002 ATOM C CG1 B ILE W 19 227 ? -33.192 23.526 27.431 0.50 72.98 ? 245 ILE c CG1 1 ? ? +35003 ATOM C CG2 A ILE W 19 227 ? -33.081 23.547 27.573 0.50 73.14 ? 245 ILE c CG2 1 ? ? +35004 ATOM C CG2 B ILE W 19 227 ? -34.640 22.258 29.072 0.50 74.28 ? 245 ILE c CG2 1 ? ? +35005 ATOM C CD1 A ILE W 19 227 ? -36.340 21.463 27.610 0.50 74.61 ? 245 ILE c CD1 1 ? ? +35006 ATOM C CD1 B ILE W 19 227 ? -34.108 24.627 27.065 0.50 73.54 ? 245 ILE c CD1 1 ? ? +35007 ATOM N N . ALA W 19 228 ? -34.172 19.030 27.220 1.00 72.69 ? 246 ALA c N 1 ? ? +35008 ATOM C CA . ALA W 19 228 ? -34.826 17.753 27.478 1.00 72.97 ? 246 ALA c CA 1 ? ? +35009 ATOM C CB . ALA W 19 228 ? -35.596 17.287 26.248 1.00 72.77 ? 246 ALA c CB 1 ? ? +35010 ATOM C C . ALA W 19 228 ? -33.812 16.690 27.893 1.00 72.39 ? 246 ALA c C 1 ? ? +35011 ATOM O O . ALA W 19 228 ? -33.987 16.008 28.897 1.00 72.77 ? 246 ALA c O 1 ? ? +35012 ATOM N N . GLY W 19 229 ? -32.748 16.561 27.099 1.00 71.54 ? 247 GLY c N 1 ? ? +35013 ATOM C CA . GLY W 19 229 ? -31.662 15.647 27.412 1.00 71.04 ? 247 GLY c CA 1 ? ? +35014 ATOM C C . GLY W 19 229 ? -31.043 15.935 28.776 1.00 71.41 ? 247 GLY c C 1 ? ? +35015 ATOM O O . GLY W 19 229 ? -30.713 15.013 29.518 1.00 71.47 ? 247 GLY c O 1 ? ? +35016 ATOM N N . GLY W 19 230 ? -30.908 17.230 29.088 1.00 71.74 ? 248 GLY c N 1 ? ? +35017 ATOM C CA . GLY W 19 230 ? -30.412 17.688 30.375 1.00 72.23 ? 248 GLY c CA 1 ? ? +35018 ATOM C C . GLY W 19 230 ? -31.244 17.222 31.567 1.00 73.26 ? 248 GLY c C 1 ? ? +35019 ATOM O O . GLY W 19 230 ? -30.684 16.741 32.549 1.00 73.46 ? 248 GLY c O 1 ? ? +35020 ATOM N N . ILE W 19 231 ? -32.573 17.401 31.472 1.00 74.04 ? 249 ILE c N 1 ? ? +35021 ATOM C CA . ILE W 19 231 ? -33.510 16.907 32.470 1.00 74.87 ? 249 ILE c CA 1 ? ? +35022 ATOM C CB . ILE W 19 231 ? -34.999 17.281 32.139 1.00 75.56 ? 249 ILE c CB 1 ? ? +35023 ATOM C CG1 . ILE W 19 231 ? -35.405 18.652 32.720 1.00 76.24 ? 249 ILE c CG1 1 ? ? +35024 ATOM C CG2 . ILE W 19 231 ? -36.032 16.234 32.636 1.00 76.24 ? 249 ILE c CG2 1 ? ? +35025 ATOM C CD1 . ILE W 19 231 ? -34.804 19.835 32.061 1.00 75.74 ? 249 ILE c CD1 1 ? ? +35026 ATOM C C . ILE W 19 231 ? -33.329 15.399 32.607 1.00 74.72 ? 249 ILE c C 1 ? ? +35027 ATOM O O . ILE W 19 231 ? -33.085 14.910 33.704 1.00 75.15 ? 249 ILE c O 1 ? ? +35028 ATOM N N . TRP W 19 232 ? -33.453 14.691 31.479 1.00 74.25 ? 250 TRP c N 1 ? ? +35029 ATOM C CA . TRP W 19 232 ? -33.274 13.248 31.414 1.00 74.08 ? 250 TRP c CA 1 ? ? +35030 ATOM C CB . TRP W 19 232 ? -33.192 12.818 29.930 1.00 73.38 ? 250 TRP c CB 1 ? ? +35031 ATOM C CG . TRP W 19 232 ? -32.772 11.394 29.693 1.00 72.90 ? 250 TRP c CG 1 ? ? +35032 ATOM C CD1 . TRP W 19 232 ? -31.530 10.956 29.349 1.00 71.94 ? 250 TRP c CD1 1 ? ? +35033 ATOM N NE1 . TRP W 19 232 ? -31.534 9.591 29.197 1.00 71.79 ? 250 TRP c NE1 1 ? ? +35034 ATOM C CE2 . TRP W 19 232 ? -32.800 9.118 29.425 1.00 72.61 ? 250 TRP c CE2 1 ? ? +35035 ATOM C CZ2 . TRP W 19 232 ? -33.301 7.811 29.395 1.00 72.80 ? 250 TRP c CZ2 1 ? ? +35036 ATOM C CH2 . TRP W 19 232 ? -34.631 7.641 29.670 1.00 73.66 ? 250 TRP c CH2 1 ? ? +35037 ATOM C CZ3 . TRP W 19 232 ? -35.461 8.726 29.980 1.00 74.39 ? 250 TRP c CZ3 1 ? ? +35038 ATOM C CE3 . TRP W 19 232 ? -34.968 10.019 30.015 1.00 74.19 ? 250 TRP c CE3 1 ? ? +35039 ATOM C CD2 . TRP W 19 232 ? -33.612 10.231 29.732 1.00 73.29 ? 250 TRP c CD2 1 ? ? +35040 ATOM C C . TRP W 19 232 ? -32.049 12.737 32.178 1.00 73.73 ? 250 TRP c C 1 ? ? +35041 ATOM O O . TRP W 19 232 ? -32.163 11.821 32.988 1.00 74.08 ? 250 TRP c O 1 ? ? +35042 ATOM N N . HIS W 19 233 ? -30.877 13.333 31.923 1.00 73.05 ? 251 HIS c N 1 ? ? +35043 ATOM C CA . HIS W 19 233 ? -29.636 12.851 32.515 1.00 72.62 ? 251 HIS c CA 1 ? ? +35044 ATOM C CB . HIS W 19 233 ? -28.427 13.342 31.714 1.00 71.38 ? 251 HIS c CB 1 ? ? +35045 ATOM C CG . HIS W 19 233 ? -28.127 12.416 30.582 1.00 70.33 ? 251 HIS c CG 1 ? ? +35046 ATOM N ND1 . HIS W 19 233 ? -28.021 11.059 30.796 1.00 70.14 ? 251 HIS c ND1 1 ? ? +35047 ATOM C CE1 . HIS W 19 233 ? -27.786 10.523 29.615 1.00 69.36 ? 251 HIS c CE1 1 ? ? +35048 ATOM N NE2 . HIS W 19 233 ? -27.766 11.458 28.663 1.00 68.97 ? 251 HIS c NE2 1 ? ? +35049 ATOM C CD2 . HIS W 19 233 ? -27.989 12.666 29.269 1.00 69.53 ? 251 HIS c CD2 1 ? ? +35050 ATOM C C . HIS W 19 233 ? -29.456 13.178 33.994 1.00 73.58 ? 251 HIS c C 1 ? ? +35051 ATOM O O . HIS W 19 233 ? -28.735 12.463 34.692 1.00 73.80 ? 251 HIS c O 1 ? ? +35052 ATOM N N . ILE W 19 234 ? -30.113 14.243 34.466 1.00 74.35 ? 252 ILE c N 1 ? ? +35053 ATOM C CA . ILE W 19 234 ? -30.168 14.511 35.893 1.00 75.31 ? 252 ILE c CA 1 ? ? +35054 ATOM C CB . ILE W 19 234 ? -30.722 15.925 36.190 1.00 75.89 ? 252 ILE c CB 1 ? ? +35055 ATOM C CG1 . ILE W 19 234 ? -29.736 17.009 35.690 1.00 75.28 ? 252 ILE c CG1 1 ? ? +35056 ATOM C CG2 . ILE W 19 234 ? -31.023 16.094 37.676 1.00 76.80 ? 252 ILE c CG2 1 ? ? +35057 ATOM C CD1 . ILE W 19 234 ? -30.179 18.437 35.888 1.00 75.83 ? 252 ILE c CD1 1 ? ? +35058 ATOM C C . ILE W 19 234 ? -30.972 13.398 36.562 1.00 76.28 ? 252 ILE c C 1 ? ? +35059 ATOM O O . ILE W 19 234 ? -30.495 12.754 37.495 1.00 76.62 ? 252 ILE c O 1 ? ? +35060 ATOM N N . LEU W 19 235 ? -32.175 13.147 36.036 1.00 76.87 ? 253 LEU c N 1 ? ? +35061 ATOM C CA . LEU W 19 235 ? -33.126 12.250 36.672 1.00 77.70 ? 253 LEU c CA 1 ? ? +35062 ATOM C CB . LEU W 19 235 ? -34.538 12.507 36.104 1.00 78.17 ? 253 LEU c CB 1 ? ? +35063 ATOM C CG . LEU W 19 235 ? -35.123 13.904 36.353 1.00 78.79 ? 253 LEU c CG 1 ? ? +35064 ATOM C CD1 . LEU W 19 235 ? -36.511 14.037 35.738 1.00 79.30 ? 253 LEU c CD1 1 ? ? +35065 ATOM C CD2 . LEU W 19 235 ? -35.191 14.225 37.836 1.00 79.62 ? 253 LEU c CD2 1 ? ? +35066 ATOM C C . LEU W 19 235 ? -32.778 10.771 36.512 1.00 77.47 ? 253 LEU c C 1 ? ? +35067 ATOM O O . LEU W 19 235 ? -33.283 9.946 37.262 1.00 78.18 ? 253 LEU c O 1 ? ? +35068 ATOM N N . THR W 19 236 ? -31.927 10.425 35.543 1.00 76.70 ? 254 THR c N 1 ? ? +35069 ATOM C CA . THR W 19 236 ? -31.620 9.025 35.281 1.00 76.58 ? 254 THR c CA 1 ? ? +35070 ATOM C CB . THR W 19 236 ? -31.960 8.665 33.812 1.00 75.99 ? 254 THR c CB 1 ? ? +35071 ATOM O OG1 . THR W 19 236 ? -31.234 9.518 32.915 1.00 75.18 ? 254 THR c OG1 1 ? ? +35072 ATOM C CG2 . THR W 19 236 ? -33.465 8.764 33.520 1.00 76.64 ? 254 THR c CG2 1 ? ? +35073 ATOM C C . THR W 19 236 ? -30.175 8.631 35.590 1.00 76.24 ? 254 THR c C 1 ? ? +35074 ATOM O O . THR W 19 236 ? -29.331 9.472 35.906 1.00 75.82 ? 254 THR c O 1 ? ? +35075 ATOM N N . THR W 19 237 ? -29.922 7.320 35.508 1.00 76.43 ? 255 THR c N 1 ? ? +35076 ATOM C CA . THR W 19 237 ? -28.583 6.764 35.598 1.00 76.15 ? 255 THR c CA 1 ? ? +35077 ATOM C CB . THR W 19 237 ? -28.431 6.044 36.939 1.00 76.92 ? 255 THR c CB 1 ? ? +35078 ATOM O OG1 . THR W 19 237 ? -27.044 5.968 37.239 1.00 76.82 ? 255 THR c OG1 1 ? ? +35079 ATOM C CG2 . THR W 19 237 ? -29.051 4.637 36.948 1.00 77.12 ? 255 THR c CG2 1 ? ? +35080 ATOM C C . THR W 19 237 ? -28.360 5.865 34.382 1.00 75.58 ? 255 THR c C 1 ? ? +35081 ATOM O O . THR W 19 237 ? -29.314 5.304 33.853 1.00 75.98 ? 255 THR c O 1 ? ? +35082 ATOM N N . PRO W 19 238 ? -27.118 5.698 33.874 1.00 74.98 ? 256 PRO c N 1 ? ? +35083 ATOM C CA . PRO W 19 238 ? -26.899 4.882 32.677 1.00 74.38 ? 256 PRO c CA 1 ? ? +35084 ATOM C CB . PRO W 19 238 ? -25.368 4.894 32.504 1.00 73.53 ? 256 PRO c CB 1 ? ? +35085 ATOM C CG . PRO W 19 238 ? -24.902 6.102 33.232 1.00 73.77 ? 256 PRO c CG 1 ? ? +35086 ATOM C CD . PRO W 19 238 ? -25.871 6.275 34.398 1.00 74.81 ? 256 PRO c CD 1 ? ? +35087 ATOM C C . PRO W 19 238 ? -27.440 3.459 32.807 1.00 74.91 ? 256 PRO c C 1 ? ? +35088 ATOM O O . PRO W 19 238 ? -27.264 2.814 33.843 1.00 75.34 ? 256 PRO c O 1 ? ? +35089 ATOM N N . PHE W 19 239 ? -28.099 2.990 31.738 1.00 74.93 ? 257 PHE c N 1 ? ? +35090 ATOM C CA . PHE W 19 239 ? -28.632 1.638 31.676 1.00 75.27 ? 257 PHE c CA 1 ? ? +35091 ATOM C CB . PHE W 19 239 ? -29.639 1.497 30.522 1.00 75.21 ? 257 PHE c CB 1 ? ? +35092 ATOM C CG . PHE W 19 239 ? -30.820 2.427 30.587 1.00 75.80 ? 257 PHE c CG 1 ? ? +35093 ATOM C CD1 . PHE W 19 239 ? -31.689 2.392 31.662 1.00 76.95 ? 257 PHE c CD1 1 ? ? +35094 ATOM C CD2 . PHE W 19 239 ? -31.070 3.329 29.566 1.00 75.45 ? 257 PHE c CD2 1 ? ? +35095 ATOM C CE1 . PHE W 19 239 ? -32.782 3.250 31.722 1.00 77.49 ? 257 PHE c CE1 1 ? ? +35096 ATOM C CE2 . PHE W 19 239 ? -32.163 4.186 29.624 1.00 76.10 ? 257 PHE c CE2 1 ? ? +35097 ATOM C CZ . PHE W 19 239 ? -33.009 4.145 30.703 1.00 77.17 ? 257 PHE c CZ 1 ? ? +35098 ATOM C C . PHE W 19 239 ? -27.508 0.617 31.505 1.00 74.63 ? 257 PHE c C 1 ? ? +35099 ATOM O O . PHE W 19 239 ? -26.393 0.969 31.132 1.00 73.93 ? 257 PHE c O 1 ? ? +35100 ATOM N N . GLY W 19 240 ? -27.836 -0.655 31.761 1.00 74.98 ? 258 GLY c N 1 ? ? +35101 ATOM C CA . GLY W 19 240 ? -26.863 -1.732 31.771 1.00 74.60 ? 258 GLY c CA 1 ? ? +35102 ATOM C C . GLY W 19 240 ? -26.067 -1.867 30.477 1.00 73.78 ? 258 GLY c C 1 ? ? +35103 ATOM O O . GLY W 19 240 ? -24.859 -2.075 30.506 1.00 72.95 ? 258 GLY c O 1 ? ? +35104 ATOM N N . TRP W 19 241 ? -26.758 -1.741 29.339 1.00 73.80 ? 259 TRP c N 1 ? ? +35105 ATOM C CA . TRP W 19 241 ? -26.119 -1.889 28.042 1.00 72.99 ? 259 TRP c CA 1 ? ? +35106 ATOM C CB . TRP W 19 241 ? -27.173 -1.870 26.908 1.00 72.62 ? 259 TRP c CB 1 ? ? +35107 ATOM C CG . TRP W 19 241 ? -27.931 -0.585 26.720 1.00 72.62 ? 259 TRP c CG 1 ? ? +35108 ATOM C CD1 . TRP W 19 241 ? -29.185 -0.308 27.163 1.00 73.47 ? 259 TRP c CD1 1 ? ? +35109 ATOM N NE1 . TRP W 19 241 ? -29.557 0.957 26.774 1.00 73.43 ? 259 TRP c NE1 1 ? ? +35110 ATOM C CE2 . TRP W 19 241 ? -28.552 1.512 26.036 1.00 72.46 ? 259 TRP c CE2 1 ? ? +35111 ATOM C CZ2 . TRP W 19 241 ? -28.465 2.761 25.429 1.00 72.32 ? 259 TRP c CZ2 1 ? ? +35112 ATOM C CH2 . TRP W 19 241 ? -27.303 3.054 24.748 1.00 71.55 ? 259 TRP c CH2 1 ? ? +35113 ATOM C CZ3 . TRP W 19 241 ? -26.250 2.136 24.665 1.00 70.91 ? 259 TRP c CZ3 1 ? ? +35114 ATOM C CE3 . TRP W 19 241 ? -26.339 0.895 25.267 1.00 71.22 ? 259 TRP c CE3 1 ? ? +35115 ATOM C CD2 . TRP W 19 241 ? -27.510 0.564 25.970 1.00 71.99 ? 259 TRP c CD2 1 ? ? +35116 ATOM C C . TRP W 19 241 ? -25.029 -0.838 27.814 1.00 72.74 ? 259 TRP c C 1 ? ? +35117 ATOM O O . TRP W 19 241 ? -24.031 -1.117 27.147 1.00 71.45 ? 259 TRP c O 1 ? ? +35118 ATOM N N . ALA W 19 242 ? -25.256 0.364 28.361 1.00 73.63 ? 260 ALA c N 1 ? ? +35119 ATOM C CA . ALA W 19 242 ? -24.296 1.453 28.317 1.00 73.74 ? 260 ALA c CA 1 ? ? +35120 ATOM C CB . ALA W 19 242 ? -24.971 2.787 28.606 1.00 74.05 ? 260 ALA c CB 1 ? ? +35121 ATOM C C . ALA W 19 242 ? -23.182 1.191 29.325 1.00 74.69 ? 260 ALA c C 1 ? ? +35122 ATOM O O . ALA W 19 242 ? -22.006 1.381 29.016 1.00 73.60 ? 260 ALA c O 1 ? ? +35123 ATOM N N . ARG W 19 243 ? -23.563 0.737 30.526 1.00 76.47 ? 261 ARG c N 1 ? ? +35124 ATOM C CA . ARG W 19 243 ? -22.585 0.424 31.555 1.00 77.25 ? 261 ARG c CA 1 ? ? +35125 ATOM C CB . ARG W 19 243 ? -23.264 -0.097 32.837 1.00 79.38 ? 261 ARG c CB 1 ? ? +35126 ATOM C CG . ARG W 19 243 ? -24.001 0.998 33.603 1.00 81.31 ? 261 ARG c CG 1 ? ? +35127 ATOM C CD . ARG W 19 243 ? -24.372 0.596 35.020 1.00 83.70 ? 261 ARG c CD 1 ? ? +35128 ATOM N NE . ARG W 19 243 ? -25.493 -0.338 35.062 1.00 85.83 ? 261 ARG c NE 1 ? ? +35129 ATOM C CZ . ARG W 19 243 ? -25.395 -1.630 35.355 1.00 87.10 ? 261 ARG c CZ 1 ? ? +35130 ATOM N NH1 . ARG W 19 243 ? -24.225 -2.255 35.357 1.00 87.66 ? 261 ARG c NH1 1 ? ? +35131 ATOM N NH2 . ARG W 19 243 ? -26.503 -2.320 35.623 1.00 87.35 ? 261 ARG c NH2 1 ? ? +35132 ATOM C C . ARG W 19 243 ? -21.537 -0.561 31.038 1.00 76.19 ? 261 ARG c C 1 ? ? +35133 ATOM O O . ARG W 19 243 ? -20.351 -0.377 31.293 1.00 76.11 ? 261 ARG c O 1 ? ? +35134 ATOM N N . ARG W 19 244 ? -21.974 -1.579 30.284 1.00 75.50 ? 262 ARG c N 1 ? ? +35135 ATOM C CA . ARG W 19 244 ? -21.078 -2.602 29.765 1.00 74.68 ? 262 ARG c CA 1 ? ? +35136 ATOM C CB . ARG W 19 244 ? -21.883 -3.861 29.394 1.00 75.80 ? 262 ARG c CB 1 ? ? +35137 ATOM C CG . ARG W 19 244 ? -22.479 -4.552 30.630 1.00 78.03 ? 262 ARG c CG 1 ? ? +35138 ATOM C CD . ARG W 19 244 ? -23.087 -5.929 30.348 1.00 79.08 ? 262 ARG c CD 1 ? ? +35139 ATOM N NE . ARG W 19 244 ? -24.429 -5.862 29.773 1.00 80.26 ? 262 ARG c NE 1 ? ? +35140 ATOM C CZ . ARG W 19 244 ? -25.548 -5.643 30.463 1.00 81.84 ? 262 ARG c CZ 1 ? ? +35141 ATOM N NH1 . ARG W 19 244 ? -25.530 -5.443 31.772 1.00 82.71 ? 262 ARG c NH1 1 ? ? +35142 ATOM N NH2 . ARG W 19 244 ? -26.715 -5.636 29.822 1.00 82.50 ? 262 ARG c NH2 1 ? ? +35143 ATOM C C . ARG W 19 244 ? -20.242 -2.148 28.565 1.00 72.72 ? 262 ARG c C 1 ? ? +35144 ATOM O O . ARG W 19 244 ? -19.232 -2.778 28.239 1.00 71.95 ? 262 ARG c O 1 ? ? +35145 ATOM N N . ALA W 19 245 ? -20.663 -1.053 27.918 1.00 71.28 ? 263 ALA c N 1 ? ? +35146 ATOM C CA . ALA W 19 245 ? -20.097 -0.635 26.646 1.00 69.60 ? 263 ALA c CA 1 ? ? +35147 ATOM C CB . ALA W 19 245 ? -21.186 -0.059 25.764 1.00 69.45 ? 263 ALA c CB 1 ? ? +35148 ATOM C C . ALA W 19 245 ? -18.967 0.383 26.773 1.00 68.67 ? 263 ALA c C 1 ? ? +35149 ATOM O O . ALA W 19 245 ? -18.159 0.501 25.862 1.00 67.79 ? 263 ALA c O 1 ? ? +35150 ATOM N N . PHE W 19 246 ? -18.921 1.108 27.898 1.00 68.70 ? 264 PHE c N 1 ? ? +35151 ATOM C CA . PHE W 19 246 ? -18.000 2.220 28.075 1.00 68.09 ? 264 PHE c CA 1 ? ? +35152 ATOM C CB . PHE W 19 246 ? -18.778 3.505 28.411 1.00 68.75 ? 264 PHE c CB 1 ? ? +35153 ATOM C CG . PHE W 19 246 ? -19.564 4.068 27.251 1.00 68.56 ? 264 PHE c CG 1 ? ? +35154 ATOM C CD1 . PHE W 19 246 ? -18.927 4.736 26.221 1.00 67.84 ? 264 PHE c CD1 1 ? ? +35155 ATOM C CD2 . PHE W 19 246 ? -20.942 3.924 27.192 1.00 69.20 ? 264 PHE c CD2 1 ? ? +35156 ATOM C CE1 . PHE W 19 246 ? -19.656 5.252 25.155 1.00 67.71 ? 264 PHE c CE1 1 ? ? +35157 ATOM C CE2 . PHE W 19 246 ? -21.669 4.442 26.125 1.00 68.96 ? 264 PHE c CE2 1 ? ? +35158 ATOM C CZ . PHE W 19 246 ? -21.025 5.098 25.116 1.00 68.23 ? 264 PHE c CZ 1 ? ? +35159 ATOM C C . PHE W 19 246 ? -16.970 1.975 29.175 1.00 67.75 ? 264 PHE c C 1 ? ? +35160 ATOM O O . PHE W 19 246 ? -17.162 1.121 30.040 1.00 68.53 ? 264 PHE c O 1 ? ? +35161 ATOM N N . ILE W 19 247 ? -15.867 2.730 29.108 1.00 66.60 ? 265 ILE c N 1 ? ? +35162 ATOM C CA . ILE W 19 247 ? -14.927 2.855 30.208 1.00 66.25 ? 265 ILE c CA 1 ? ? +35163 ATOM C CB . ILE W 19 247 ? -13.482 3.055 29.693 1.00 65.53 ? 265 ILE c CB 1 ? ? +35164 ATOM C CG1 . ILE W 19 247 ? -13.092 1.962 28.698 1.00 64.90 ? 265 ILE c CG1 1 ? ? +35165 ATOM C CG2 . ILE W 19 247 ? -12.483 3.137 30.836 1.00 65.76 ? 265 ILE c CG2 1 ? ? +35166 ATOM C CD1 . ILE W 19 247 ? -13.116 0.568 29.236 1.00 65.18 ? 265 ILE c CD1 1 ? ? +35167 ATOM C C . ILE W 19 247 ? -15.372 4.040 31.057 1.00 66.32 ? 265 ILE c C 1 ? ? +35168 ATOM O O . ILE W 19 247 ? -15.652 5.112 30.524 1.00 66.11 ? 265 ILE c O 1 ? ? +35169 ATOM N N . TRP W 19 248 ? -15.408 3.845 32.379 1.00 66.46 ? 266 TRP c N 1 ? ? +35170 ATOM C CA . TRP W 19 248 ? -15.898 4.869 33.283 1.00 66.86 ? 266 TRP c CA 1 ? ? +35171 ATOM C CB . TRP W 19 248 ? -17.036 4.321 34.160 1.00 67.77 ? 266 TRP c CB 1 ? ? +35172 ATOM C CG . TRP W 19 248 ? -18.138 3.779 33.314 1.00 67.86 ? 266 TRP c CG 1 ? ? +35173 ATOM C CD1 . TRP W 19 248 ? -18.184 2.553 32.725 1.00 67.60 ? 266 TRP c CD1 1 ? ? +35174 ATOM N NE1 . TRP W 19 248 ? -19.322 2.435 31.970 1.00 67.65 ? 266 TRP c NE1 1 ? ? +35175 ATOM C CE2 . TRP W 19 248 ? -20.030 3.607 32.044 1.00 68.06 ? 266 TRP c CE2 1 ? ? +35176 ATOM C CZ2 . TRP W 19 248 ? -21.247 3.969 31.461 1.00 68.40 ? 266 TRP c CZ2 1 ? ? +35177 ATOM C CH2 . TRP W 19 248 ? -21.726 5.224 31.726 1.00 68.73 ? 266 TRP c CH2 1 ? ? +35178 ATOM C CZ3 . TRP W 19 248 ? -21.025 6.114 32.542 1.00 68.91 ? 266 TRP c CZ3 1 ? ? +35179 ATOM C CE3 . TRP W 19 248 ? -19.816 5.761 33.112 1.00 68.64 ? 266 TRP c CE3 1 ? ? +35180 ATOM C CD2 . TRP W 19 248 ? -19.301 4.483 32.867 1.00 68.17 ? 266 TRP c CD2 1 ? ? +35181 ATOM C C . TRP W 19 248 ? -14.738 5.424 34.100 1.00 66.59 ? 266 TRP c C 1 ? ? +35182 ATOM O O . TRP W 19 248 ? -14.446 4.937 35.189 1.00 67.22 ? 266 TRP c O 1 ? ? +35183 ATOM N N . SER W 19 249 ? -14.080 6.446 33.538 1.00 65.68 ? 267 SER c N 1 ? ? +35184 ATOM C CA . SER W 19 249 ? -12.939 7.083 34.168 1.00 65.33 ? 267 SER c CA 1 ? ? +35185 ATOM C CB . SER W 19 249 ? -11.669 6.264 33.950 1.00 64.76 ? 267 SER c CB 1 ? ? +35186 ATOM O OG . SER W 19 249 ? -11.149 6.437 32.644 1.00 63.91 ? 267 SER c OG 1 ? ? +35187 ATOM C C . SER W 19 249 ? -12.763 8.496 33.623 1.00 64.75 ? 267 SER c C 1 ? ? +35188 ATOM O O . SER W 19 249 ? -13.244 8.808 32.541 1.00 64.23 ? 267 SER c O 1 ? ? +35189 ATOM N N . GLY W 19 250 ? -12.069 9.337 34.394 1.00 64.82 ? 268 GLY c N 1 ? ? +35190 ATOM C CA . GLY W 19 250 ? -11.786 10.706 34.000 1.00 64.46 ? 268 GLY c CA 1 ? ? +35191 ATOM C C . GLY W 19 250 ? -11.141 10.792 32.622 1.00 63.39 ? 268 GLY c C 1 ? ? +35192 ATOM O O . GLY W 19 250 ? -11.574 11.580 31.788 1.00 63.07 ? 268 GLY c O 1 ? ? +35193 ATOM N N . GLU W 19 251 ? -10.113 9.964 32.391 1.00 62.79 ? 269 GLU c N 1 ? ? +35194 ATOM C CA . GLU W 19 251 ? -9.387 9.993 31.131 1.00 61.83 ? 269 GLU c CA 1 ? ? +35195 ATOM C CB . GLU W 19 251 ? -8.117 9.137 31.184 1.00 61.42 ? 269 GLU c CB 1 ? ? +35196 ATOM C CG . GLU W 19 251 ? -7.201 9.412 30.009 1.00 60.63 ? 269 GLU c CG 1 ? ? +35197 ATOM C CD . GLU W 19 251 ? -5.797 8.832 30.065 1.00 60.33 ? 269 GLU c CD 1 ? ? +35198 ATOM O OE1 . GLU W 19 251 ? -5.542 7.899 30.863 1.00 60.61 ? 269 GLU c OE1 1 ? ? +35199 ATOM O OE2 . GLU W 19 251 ? -4.940 9.336 29.306 1.00 59.80 ? 269 GLU c OE2 1 ? ? +35200 ATOM C C . GLU W 19 251 ? -10.275 9.527 29.981 1.00 61.32 ? 269 GLU c C 1 ? ? +35201 ATOM O O . GLU W 19 251 ? -10.196 10.059 28.881 1.00 60.77 ? 269 GLU c O 1 ? ? +35202 ATOM N N . ALA W 19 252 ? -11.121 8.528 30.244 1.00 61.55 ? 270 ALA c N 1 ? ? +35203 ATOM C CA . ALA W 19 252 ? -12.041 8.023 29.237 1.00 61.21 ? 270 ALA c CA 1 ? ? +35204 ATOM C CB . ALA W 19 252 ? -12.795 6.814 29.761 1.00 61.59 ? 270 ALA c CB 1 ? ? +35205 ATOM C C . ALA W 19 252 ? -13.008 9.121 28.803 1.00 61.34 ? 270 ALA c C 1 ? ? +35206 ATOM O O . ALA W 19 252 ? -13.236 9.301 27.609 1.00 60.84 ? 270 ALA c O 1 ? ? +35207 ATOM N N . TYR W 19 253 ? -13.536 9.869 29.780 1.00 62.05 ? 271 TYR c N 1 ? ? +35208 ATOM C CA . TYR W 19 253 ? -14.489 10.934 29.505 1.00 62.34 ? 271 TYR c CA 1 ? ? +35209 ATOM C CB . TYR W 19 253 ? -15.086 11.533 30.801 1.00 63.21 ? 271 TYR c CB 1 ? ? +35210 ATOM C CG . TYR W 19 253 ? -15.689 10.519 31.749 1.00 63.76 ? 271 TYR c CG 1 ? ? +35211 ATOM C CD1 . TYR W 19 253 ? -16.333 9.386 31.273 1.00 63.59 ? 271 TYR c CD1 1 ? ? +35212 ATOM C CD2 . TYR W 19 253 ? -15.635 10.704 33.122 1.00 64.49 ? 271 TYR c CD2 1 ? ? +35213 ATOM C CE1 . TYR W 19 253 ? -16.879 8.448 32.139 1.00 64.14 ? 271 TYR c CE1 1 ? ? +35214 ATOM C CE2 . TYR W 19 253 ? -16.189 9.779 33.998 1.00 65.05 ? 271 TYR c CE2 1 ? ? +35215 ATOM C CZ . TYR W 19 253 ? -16.806 8.650 33.502 1.00 64.87 ? 271 TYR c CZ 1 ? ? +35216 ATOM O OH . TYR W 19 253 ? -17.347 7.732 34.362 1.00 65.50 ? 271 TYR c OH 1 ? ? +35217 ATOM C C . TYR W 19 253 ? -13.825 12.023 28.668 1.00 61.90 ? 271 TYR c C 1 ? ? +35218 ATOM O O . TYR W 19 253 ? -14.413 12.543 27.729 1.00 61.79 ? 271 TYR c O 1 ? ? +35219 ATOM N N . LEU W 19 254 ? -12.580 12.356 29.008 1.00 61.79 ? 272 LEU c N 1 ? ? +35220 ATOM C CA . LEU W 19 254 ? -11.802 13.288 28.210 1.00 61.29 ? 272 LEU c CA 1 ? ? +35221 ATOM C CB . LEU W 19 254 ? -10.437 13.509 28.859 1.00 61.31 ? 272 LEU c CB 1 ? ? +35222 ATOM C CG . LEU W 19 254 ? -9.457 14.381 28.082 1.00 60.87 ? 272 LEU c CG 1 ? ? +35223 ATOM C CD1 . LEU W 19 254 ? -9.931 15.828 28.013 1.00 61.16 ? 272 LEU c CD1 1 ? ? +35224 ATOM C CD2 . LEU W 19 254 ? -8.083 14.296 28.695 1.00 60.88 ? 272 LEU c CD2 1 ? ? +35225 ATOM C C . LEU W 19 254 ? -11.638 12.792 26.775 1.00 60.41 ? 272 LEU c C 1 ? ? +35226 ATOM O O . LEU W 19 254 ? -11.756 13.564 25.827 1.00 60.11 ? 272 LEU c O 1 ? ? +35227 ATOM N N . SER W 19 255 ? -11.386 11.493 26.613 1.00 60.04 ? 273 SER c N 1 ? ? +35228 ATOM C CA . SER W 19 255 ? -11.174 10.946 25.286 1.00 59.31 ? 273 SER c CA 1 ? ? +35229 ATOM C CB . SER W 19 255 ? -10.680 9.503 25.344 1.00 59.07 ? 273 SER c CB 1 ? ? +35230 ATOM O OG . SER W 19 255 ? -11.719 8.567 25.573 1.00 59.41 ? 273 SER c OG 1 ? ? +35231 ATOM C C . SER W 19 255 ? -12.423 11.075 24.421 1.00 59.25 ? 273 SER c C 1 ? ? +35232 ATOM O O . SER W 19 255 ? -12.315 11.456 23.258 1.00 58.73 ? 273 SER c O 1 ? ? +35233 ATOM N N . TYR W 19 256 ? -13.598 10.787 25.000 1.00 59.87 ? 274 TYR c N 1 ? ? +35234 ATOM C CA . TYR W 19 256 ? -14.857 10.886 24.272 1.00 60.00 ? 274 TYR c CA 1 ? ? +35235 ATOM C CB . TYR W 19 256 ? -16.087 10.475 25.120 1.00 60.70 ? 274 TYR c CB 1 ? ? +35236 ATOM C CG . TYR W 19 256 ? -15.955 9.166 25.867 1.00 60.78 ? 274 TYR c CG 1 ? ? +35237 ATOM C CD1 . TYR W 19 256 ? -15.265 8.092 25.317 1.00 60.21 ? 274 TYR c CD1 1 ? ? +35238 ATOM C CD2 . TYR W 19 256 ? -16.518 9.001 27.122 1.00 61.48 ? 274 TYR c CD2 1 ? ? +35239 ATOM C CE1 . TYR W 19 256 ? -15.132 6.888 26.004 1.00 60.35 ? 274 TYR c CE1 1 ? ? +35240 ATOM C CE2 . TYR W 19 256 ? -16.396 7.803 27.819 1.00 61.66 ? 274 TYR c CE2 1 ? ? +35241 ATOM C CZ . TYR W 19 256 ? -15.705 6.742 27.256 1.00 61.08 ? 274 TYR c CZ 1 ? ? +35242 ATOM O OH . TYR W 19 256 ? -15.582 5.548 27.945 1.00 61.27 ? 274 TYR c OH 1 ? ? +35243 ATOM C C . TYR W 19 256 ? -15.086 12.300 23.744 1.00 60.08 ? 274 TYR c C 1 ? ? +35244 ATOM O O . TYR W 19 256 ? -15.502 12.478 22.602 1.00 59.75 ? 274 TYR c O 1 ? ? +35245 ATOM N N . SER W 19 257 ? -14.822 13.298 24.594 1.00 60.64 ? 275 SER c N 1 ? ? +35246 ATOM C CA . SER W 19 257 ? -14.990 14.690 24.214 1.00 60.86 ? 275 SER c CA 1 ? ? +35247 ATOM C CB . SER W 19 257 ? -14.983 15.581 25.453 1.00 61.62 ? 275 SER c CB 1 ? ? +35248 ATOM O OG . SER W 19 257 ? -16.138 15.368 26.260 1.00 62.36 ? 275 SER c OG 1 ? ? +35249 ATOM C C . SER W 19 257 ? -13.957 15.156 23.188 1.00 60.26 ? 275 SER c C 1 ? ? +35250 ATOM O O . SER W 19 257 ? -14.265 15.992 22.343 1.00 60.15 ? 275 SER c O 1 ? ? +35251 ATOM N N . LEU W 19 258 ? -12.736 14.601 23.238 1.00 59.99 ? 276 LEU c N 1 ? ? +35252 ATOM C CA . LEU W 19 258 ? -11.715 14.934 22.254 1.00 59.40 ? 276 LEU c CA 1 ? ? +35253 ATOM C CB . LEU W 19 258 ? -10.363 14.326 22.624 1.00 59.10 ? 276 LEU c CB 1 ? ? +35254 ATOM C CG . LEU W 19 258 ? -9.648 14.972 23.793 1.00 59.54 ? 276 LEU c CG 1 ? ? +35255 ATOM C CD1 . LEU W 19 258 ? -8.438 14.147 24.225 1.00 59.32 ? 276 LEU c CD1 1 ? ? +35256 ATOM C CD2 . LEU W 19 258 ? -9.214 16.375 23.458 1.00 59.57 ? 276 LEU c CD2 1 ? ? +35257 ATOM C C . LEU W 19 258 ? -12.145 14.451 20.871 1.00 59.00 ? 276 LEU c C 1 ? ? +35258 ATOM O O . LEU W 19 258 ? -11.897 15.121 19.872 1.00 58.70 ? 276 LEU c O 1 ? ? +35259 ATOM N N . GLY W 19 259 ? -12.790 13.281 20.831 1.00 59.13 ? 277 GLY c N 1 ? ? +35260 ATOM C CA . GLY W 19 259 ? -13.370 12.763 19.604 1.00 58.82 ? 277 GLY c CA 1 ? ? +35261 ATOM C C . GLY W 19 259 ? -14.488 13.658 19.075 1.00 59.21 ? 277 GLY c C 1 ? ? +35262 ATOM O O . GLY W 19 259 ? -14.542 13.943 17.883 1.00 58.95 ? 277 GLY c O 1 ? ? +35263 ATOM N N . ALA W 19 260 ? -15.359 14.113 19.980 1.00 59.96 ? 278 ALA c N 1 ? ? +35264 ATOM C CA . ALA W 19 260 ? -16.454 14.994 19.619 1.00 60.38 ? 278 ALA c CA 1 ? ? +35265 ATOM C CB . ALA W 19 260 ? -17.327 15.248 20.824 1.00 61.15 ? 278 ALA c CB 1 ? ? +35266 ATOM C C . ALA W 19 260 ? -15.930 16.308 19.046 1.00 60.42 ? 278 ALA c C 1 ? ? +35267 ATOM O O . ALA W 19 260 ? -16.332 16.724 17.964 1.00 60.18 ? 278 ALA c O 1 ? ? +35268 ATOM N N . LEU W 19 261 ? -14.997 16.944 19.762 1.00 60.86 ? 279 LEU c N 1 ? ? +35269 ATOM C CA . LEU W 19 261 ? -14.420 18.203 19.311 1.00 60.96 ? 279 LEU c CA 1 ? ? +35270 ATOM C CB . LEU W 19 261 ? -13.466 18.774 20.356 1.00 61.25 ? 279 LEU c CB 1 ? ? +35271 ATOM C CG . LEU W 19 261 ? -14.055 19.440 21.575 1.00 62.11 ? 279 LEU c CG 1 ? ? +35272 ATOM C CD1 . LEU W 19 261 ? -13.236 20.647 21.948 1.00 62.33 ? 279 LEU c CD1 1 ? ? +35273 ATOM C CD2 . LEU W 19 261 ? -15.511 19.856 21.396 1.00 62.61 ? 279 LEU c CD2 1 ? ? +35274 ATOM C C . LEU W 19 261 ? -13.673 18.089 17.982 1.00 60.42 ? 279 LEU c C 1 ? ? +35275 ATOM O O . LEU W 19 261 ? -13.743 18.994 17.151 1.00 60.35 ? 279 LEU c O 1 ? ? +35276 ATOM N N . SER W 19 262 ? -12.980 16.970 17.762 1.00 60.10 ? 280 SER c N 1 ? ? +35277 ATOM C CA . SER W 19 262 ? -12.336 16.733 16.482 1.00 59.71 ? 280 SER c CA 1 ? ? +35278 ATOM C CB . SER W 19 262 ? -11.592 15.408 16.501 1.00 59.21 ? 280 SER c CB 1 ? ? +35279 ATOM O OG . SER W 19 262 ? -11.152 15.104 15.196 1.00 58.60 ? 280 SER c OG 1 ? ? +35280 ATOM C C . SER W 19 262 ? -13.347 16.745 15.337 1.00 59.93 ? 280 SER c C 1 ? ? +35281 ATOM O O . SER W 19 262 ? -13.176 17.462 14.353 1.00 59.69 ? 280 SER c O 1 ? ? +35282 ATOM N N . MET W 19 263 ? -14.400 15.937 15.489 1.00 60.55 ? 281 MET c N 1 ? ? +35283 ATOM C CA . MET W 19 263 ? -15.462 15.842 14.499 1.00 61.04 ? 281 MET c CA 1 ? ? +35284 ATOM C CB . MET W 19 263 ? -16.524 14.848 14.991 1.00 62.63 ? 281 MET c CB 1 ? ? +35285 ATOM C CG . MET W 19 263 ? -17.763 14.842 14.161 1.00 64.01 ? 281 MET c CG 1 ? ? +35286 ATOM S SD . MET W 19 263 ? -18.864 13.434 14.505 1.00 66.36 ? 281 MET c SD 1 ? ? +35287 ATOM C CE . MET W 19 263 ? -19.727 14.063 15.783 1.00 67.27 ? 281 MET c CE 1 ? ? +35288 ATOM C C . MET W 19 263 ? -16.076 17.212 14.212 1.00 60.57 ? 281 MET c C 1 ? ? +35289 ATOM O O . MET W 19 263 ? -16.255 17.577 13.057 1.00 60.16 ? 281 MET c O 1 ? ? +35290 ATOM N N . MET W 19 264 ? -16.365 17.977 15.268 1.00 60.57 ? 282 MET c N 1 ? ? +35291 ATOM C CA . MET W 19 264 ? -16.878 19.327 15.116 1.00 60.65 ? 282 MET c CA 1 ? ? +35292 ATOM C CB . MET W 19 264 ? -17.234 19.891 16.491 1.00 61.41 ? 282 MET c CB 1 ? ? +35293 ATOM C CG . MET W 19 264 ? -18.499 19.301 17.059 1.00 61.95 ? 282 MET c CG 1 ? ? +35294 ATOM S SD . MET W 19 264 ? -18.918 20.090 18.617 1.00 62.90 ? 282 MET c SD 1 ? ? +35295 ATOM C CE . MET W 19 264 ? -18.900 18.726 19.707 1.00 63.04 ? 282 MET c CE 1 ? ? +35296 ATOM C C . MET W 19 264 ? -15.905 20.253 14.385 1.00 60.03 ? 282 MET c C 1 ? ? +35297 ATOM O O . MET W 19 264 ? -16.316 21.028 13.520 1.00 59.89 ? 282 MET c O 1 ? ? +35298 ATOM N N . GLY W 19 265 ? -14.606 20.161 14.717 1.00 59.44 ? 283 GLY c N 1 ? ? +35299 ATOM C CA . GLY W 19 265 ? -13.590 20.966 14.056 1.00 58.86 ? 283 GLY c CA 1 ? ? +35300 ATOM C C . GLY W 19 265 ? -13.558 20.768 12.542 1.00 58.14 ? 283 GLY c C 1 ? ? +35301 ATOM O O . GLY W 19 265 ? -13.422 21.726 11.781 1.00 58.02 ? 283 GLY c O 1 ? ? +35302 ATOM N N . PHE W 19 266 ? -13.709 19.509 12.116 1.00 57.60 ? 284 PHE c N 1 ? ? +35303 ATOM C CA . PHE W 19 266 ? -13.770 19.173 10.705 1.00 57.05 ? 284 PHE c CA 1 ? ? +35304 ATOM C CB . PHE W 19 266 ? -13.738 17.656 10.504 1.00 56.75 ? 284 PHE c CB 1 ? ? +35305 ATOM C CG . PHE W 19 266 ? -12.406 17.020 10.798 1.00 56.37 ? 284 PHE c CG 1 ? ? +35306 ATOM C CD1 . PHE W 19 266 ? -11.247 17.507 10.223 1.00 56.05 ? 284 PHE c CD1 1 ? ? +35307 ATOM C CD2 . PHE W 19 266 ? -12.314 15.924 11.635 1.00 56.43 ? 284 PHE c CD2 1 ? ? +35308 ATOM C CE1 . PHE W 19 266 ? -10.013 16.907 10.484 1.00 55.77 ? 284 PHE c CE1 1 ? ? +35309 ATOM C CE2 . PHE W 19 266 ? -11.082 15.334 11.900 1.00 56.13 ? 284 PHE c CE2 1 ? ? +35310 ATOM C CZ . PHE W 19 266 ? -9.939 15.827 11.322 1.00 55.78 ? 284 PHE c CZ 1 ? ? +35311 ATOM C C . PHE W 19 266 ? -15.007 19.725 10.011 1.00 57.13 ? 284 PHE c C 1 ? ? +35312 ATOM O O . PHE W 19 266 ? -14.920 20.183 8.881 1.00 56.88 ? 284 PHE c O 1 ? ? +35313 ATOM N N . ILE W 19 267 ? -16.160 19.645 10.678 1.00 57.55 ? 285 ILE c N 1 ? ? +35314 ATOM C CA . ILE W 19 267 ? -17.384 20.208 10.134 1.00 57.83 ? 285 ILE c CA 1 ? ? +35315 ATOM C CB . ILE W 19 267 ? -18.605 19.830 11.008 1.00 58.42 ? 285 ILE c CB 1 ? ? +35316 ATOM C CG1 . ILE W 19 267 ? -18.849 18.307 10.991 1.00 58.19 ? 285 ILE c CG1 1 ? ? +35317 ATOM C CG2 . ILE W 19 267 ? -19.831 20.601 10.564 1.00 58.88 ? 285 ILE c CG2 1 ? ? +35318 ATOM C CD1 . ILE W 19 267 ? -19.782 17.812 12.068 1.00 58.78 ? 285 ILE c CD1 1 ? ? +35319 ATOM C C . ILE W 19 267 ? -17.248 21.722 9.967 1.00 57.99 ? 285 ILE c C 1 ? ? +35320 ATOM O O . ILE W 19 267 ? -17.603 22.267 8.924 1.00 57.97 ? 285 ILE c O 1 ? ? +35321 ATOM N N . ALA W 19 268 ? -16.729 22.393 11.002 1.00 58.13 ? 286 ALA c N 1 ? ? +35322 ATOM C CA . ALA W 19 268 ? -16.497 23.824 10.941 1.00 58.34 ? 286 ALA c CA 1 ? ? +35323 ATOM C CB . ALA W 19 268 ? -15.868 24.301 12.226 1.00 58.63 ? 286 ALA c CB 1 ? ? +35324 ATOM C C . ALA W 19 268 ? -15.617 24.229 9.762 1.00 57.89 ? 286 ALA c C 1 ? ? +35325 ATOM O O . ALA W 19 268 ? -15.865 25.258 9.140 1.00 58.11 ? 286 ALA c O 1 ? ? +35326 ATOM N N A THR W 19 269 ? -14.585 23.423 9.483 0.40 57.29 ? 287 THR c N 1 ? ? +35327 ATOM N N B THR W 19 269 ? -14.589 23.418 9.475 0.60 57.29 ? 287 THR c N 1 ? ? +35328 ATOM C CA A THR W 19 269 ? -13.688 23.676 8.369 0.40 56.81 ? 287 THR c CA 1 ? ? +35329 ATOM C CA B THR W 19 269 ? -13.696 23.666 8.357 0.60 56.81 ? 287 THR c CA 1 ? ? +35330 ATOM C C A THR W 19 269 ? -14.464 23.733 7.057 0.40 56.71 ? 287 THR c C 1 ? ? +35331 ATOM C C B THR W 19 269 ? -14.455 23.690 7.033 0.60 56.70 ? 287 THR c C 1 ? ? +35332 ATOM O O A THR W 19 269 ? -14.282 24.654 6.263 0.40 56.75 ? 287 THR c O 1 ? ? +35333 ATOM O O B THR W 19 269 ? -14.233 24.568 6.205 0.60 56.71 ? 287 THR c O 1 ? ? +35334 ATOM C CB A THR W 19 269 ? -12.585 22.609 8.318 0.40 56.21 ? 287 THR c CB 1 ? ? +35335 ATOM C CB B THR W 19 269 ? -12.576 22.609 8.318 0.60 56.22 ? 287 THR c CB 1 ? ? +35336 ATOM O OG1 A THR W 19 269 ? -11.756 22.732 9.472 0.40 56.35 ? 287 THR c OG1 1 ? ? +35337 ATOM O OG1 B THR W 19 269 ? -11.805 22.689 9.517 0.60 56.37 ? 287 THR c OG1 1 ? ? +35338 ATOM C CG2 A THR W 19 269 ? -11.727 22.721 7.071 0.40 55.68 ? 287 THR c CG2 1 ? ? +35339 ATOM C CG2 B THR W 19 269 ? -11.649 22.780 7.117 0.60 55.69 ? 287 THR c CG2 1 ? ? +35340 ATOM N N A CYS W 19 270 ? -15.342 22.746 6.851 0.40 56.67 ? 288 CYS c N 1 ? ? +35341 ATOM N N B CYS W 19 270 ? -15.334 22.703 6.834 0.60 56.69 ? 288 CYS c N 1 ? ? +35342 ATOM C CA A CYS W 19 270 ? -16.141 22.664 5.640 0.40 56.61 ? 288 CYS c CA 1 ? ? +35343 ATOM C CA B CYS W 19 270 ? -16.158 22.629 5.637 0.60 56.65 ? 288 CYS c CA 1 ? ? +35344 ATOM C C A CYS W 19 270 ? -17.215 23.747 5.582 0.40 57.20 ? 288 CYS c C 1 ? ? +35345 ATOM C C B CYS W 19 270 ? -17.196 23.748 5.587 0.60 57.21 ? 288 CYS c C 1 ? ? +35346 ATOM O O A CYS W 19 270 ? -17.525 24.263 4.510 0.40 57.19 ? 288 CYS c O 1 ? ? +35347 ATOM O O B CYS W 19 270 ? -17.459 24.289 4.516 0.60 57.17 ? 288 CYS c O 1 ? ? +35348 ATOM C CB A CYS W 19 270 ? -16.750 21.273 5.508 0.40 56.45 ? 288 CYS c CB 1 ? ? +35349 ATOM C CB B CYS W 19 270 ? -16.821 21.259 5.521 0.60 56.54 ? 288 CYS c CB 1 ? ? +35350 ATOM S SG A CYS W 19 270 ? -15.535 19.966 5.210 0.40 55.67 ? 288 CYS c SG 1 ? ? +35351 ATOM S SG B CYS W 19 270 ? -15.672 19.908 5.148 0.60 55.76 ? 288 CYS c SG 1 ? ? +35352 ATOM N N . PHE W 19 271 ? -17.775 24.083 6.747 1.00 57.77 ? 289 PHE c N 1 ? ? +35353 ATOM C CA . PHE W 19 271 ? -18.776 25.135 6.836 1.00 58.46 ? 289 PHE c CA 1 ? ? +35354 ATOM C CB . PHE W 19 271 ? -19.307 25.316 8.264 1.00 59.06 ? 289 PHE c CB 1 ? ? +35355 ATOM C CG . PHE W 19 271 ? -20.753 24.941 8.446 1.00 59.55 ? 289 PHE c CG 1 ? ? +35356 ATOM C CD1 . PHE W 19 271 ? -21.757 25.699 7.878 1.00 60.02 ? 289 PHE c CD1 1 ? ? +35357 ATOM C CD2 . PHE W 19 271 ? -21.113 23.841 9.205 1.00 59.61 ? 289 PHE c CD2 1 ? ? +35358 ATOM C CE1 . PHE W 19 271 ? -23.097 25.365 8.070 1.00 60.46 ? 289 PHE c CE1 1 ? ? +35359 ATOM C CE2 . PHE W 19 271 ? -22.451 23.512 9.391 1.00 60.04 ? 289 PHE c CE2 1 ? ? +35360 ATOM C CZ . PHE W 19 271 ? -23.430 24.277 8.818 1.00 60.49 ? 289 PHE c CZ 1 ? ? +35361 ATOM C C . PHE W 19 271 ? -18.237 26.464 6.320 1.00 58.54 ? 289 PHE c C 1 ? ? +35362 ATOM O O . PHE W 19 271 ? -18.856 27.079 5.455 1.00 58.79 ? 289 PHE c O 1 ? ? +35363 ATOM N N A VAL W 19 272 ? -17.082 26.891 6.842 0.40 58.38 ? 290 VAL c N 1 ? ? +35364 ATOM N N B VAL W 19 272 ? -17.072 26.879 6.841 0.60 58.35 ? 290 VAL c N 1 ? ? +35365 ATOM C CA A VAL W 19 272 ? -16.524 28.182 6.475 0.40 58.48 ? 290 VAL c CA 1 ? ? +35366 ATOM C CA B VAL W 19 272 ? -16.485 28.163 6.488 0.60 58.42 ? 290 VAL c CA 1 ? ? +35367 ATOM C C A VAL W 19 272 ? -16.021 28.177 5.033 0.40 57.92 ? 290 VAL c C 1 ? ? +35368 ATOM C C B VAL W 19 272 ? -15.986 28.189 5.042 0.60 57.87 ? 290 VAL c C 1 ? ? +35369 ATOM O O A VAL W 19 272 ? -15.978 29.219 4.388 0.40 58.14 ? 290 VAL c O 1 ? ? +35370 ATOM O O B VAL W 19 272 ? -15.888 29.254 4.436 0.60 58.09 ? 290 VAL c O 1 ? ? +35371 ATOM C CB A VAL W 19 272 ? -15.416 28.628 7.458 0.40 58.54 ? 290 VAL c CB 1 ? ? +35372 ATOM C CB B VAL W 19 272 ? -15.358 28.562 7.485 0.60 58.49 ? 290 VAL c CB 1 ? ? +35373 ATOM C CG1 A VAL W 19 272 ? -14.158 27.774 7.329 0.40 57.84 ? 290 VAL c CG1 1 ? ? +35374 ATOM C CG1 B VAL W 19 272 ? -14.116 27.683 7.345 0.60 57.76 ? 290 VAL c CG1 1 ? ? +35375 ATOM C CG2 A VAL W 19 272 ? -15.092 30.109 7.267 0.40 58.92 ? 290 VAL c CG2 1 ? ? +35376 ATOM C CG2 B VAL W 19 272 ? -14.995 30.039 7.339 0.60 58.87 ? 290 VAL c CG2 1 ? ? +35377 ATOM N N A TRP W 19 273 ? -15.668 26.998 4.516 0.40 57.24 ? 291 TRP c N 1 ? ? +35378 ATOM N N B TRP W 19 273 ? -15.682 27.013 4.486 0.60 57.16 ? 291 TRP c N 1 ? ? +35379 ATOM C CA A TRP W 19 273 ? -15.169 26.894 3.155 0.40 56.69 ? 291 TRP c CA 1 ? ? +35380 ATOM C CA B TRP W 19 273 ? -15.165 26.921 3.131 0.60 56.59 ? 291 TRP c CA 1 ? ? +35381 ATOM C C A TRP W 19 273 ? -16.254 26.944 2.078 0.40 56.77 ? 291 TRP c C 1 ? ? +35382 ATOM C C B TRP W 19 273 ? -16.246 26.926 2.047 0.60 56.64 ? 291 TRP c C 1 ? ? +35383 ATOM O O A TRP W 19 273 ? -16.021 27.474 0.996 0.40 56.67 ? 291 TRP c O 1 ? ? +35384 ATOM O O B TRP W 19 273 ? -16.008 27.427 0.950 0.60 56.52 ? 291 TRP c O 1 ? ? +35385 ATOM C CB A TRP W 19 273 ? -14.362 25.610 2.988 0.40 55.98 ? 291 TRP c CB 1 ? ? +35386 ATOM C CB B TRP W 19 273 ? -14.298 25.663 3.002 0.60 55.86 ? 291 TRP c CB 1 ? ? +35387 ATOM C CG A TRP W 19 273 ? -13.503 25.621 1.768 0.40 55.47 ? 291 TRP c CG 1 ? ? +35388 ATOM C CG B TRP W 19 273 ? -13.431 25.680 1.795 0.60 55.33 ? 291 TRP c CG 1 ? ? +35389 ATOM C CD1 A TRP W 19 273 ? -13.611 24.812 0.678 0.40 55.04 ? 291 TRP c CD1 1 ? ? +35390 ATOM C CD1 B TRP W 19 273 ? -13.530 24.879 0.700 0.60 54.89 ? 291 TRP c CD1 1 ? ? +35391 ATOM C CD2 A TRP W 19 273 ? -12.401 26.501 1.509 0.40 55.38 ? 291 TRP c CD2 1 ? ? +35392 ATOM C CD2 B TRP W 19 273 ? -12.331 26.560 1.554 0.60 55.22 ? 291 TRP c CD2 1 ? ? +35393 ATOM N NE1 A TRP W 19 273 ? -12.637 25.129 -0.244 0.40 54.68 ? 291 TRP c NE1 1 ? ? +35394 ATOM N NE1 B TRP W 19 273 ? -12.551 25.204 -0.213 0.60 54.52 ? 291 TRP c NE1 1 ? ? +35395 ATOM C CE2 A TRP W 19 273 ? -11.882 26.164 0.242 0.40 54.88 ? 291 TRP c CE2 1 ? ? +35396 ATOM C CE2 B TRP W 19 273 ? -11.803 26.235 0.289 0.60 54.72 ? 291 TRP c CE2 1 ? ? +35397 ATOM C CE3 A TRP W 19 273 ? -11.797 27.537 2.228 0.40 55.69 ? 291 TRP c CE3 1 ? ? +35398 ATOM C CE3 B TRP W 19 273 ? -11.734 27.589 2.291 0.60 55.53 ? 291 TRP c CE3 1 ? ? +35399 ATOM C CZ2 A TRP W 19 273 ? -10.794 26.830 -0.318 0.40 54.70 ? 291 TRP c CZ2 1 ? ? +35400 ATOM C CZ2 B TRP W 19 273 ? -10.713 26.906 -0.254 0.60 54.53 ? 291 TRP c CZ2 1 ? ? +35401 ATOM C CZ3 A TRP W 19 273 ? -10.718 28.193 1.670 0.40 55.50 ? 291 TRP c CZ3 1 ? ? +35402 ATOM C CZ3 B TRP W 19 273 ? -10.654 28.252 1.748 0.60 55.34 ? 291 TRP c CZ3 1 ? ? +35403 ATOM C CH2 A TRP W 19 273 ? -10.229 27.839 0.414 0.40 55.02 ? 291 TRP c CH2 1 ? ? +35404 ATOM C CH2 B TRP W 19 273 ? -10.157 27.911 0.491 0.60 54.87 ? 291 TRP c CH2 1 ? ? +35405 ATOM N N A PHE W 19 274 ? -17.429 26.376 2.366 0.40 56.96 ? 292 PHE c N 1 ? ? +35406 ATOM N N B PHE W 19 274 ? -17.421 26.358 2.349 0.60 56.83 ? 292 PHE c N 1 ? ? +35407 ATOM C CA A PHE W 19 274 ? -18.466 26.236 1.357 0.40 57.03 ? 292 PHE c CA 1 ? ? +35408 ATOM C CA B PHE W 19 274 ? -18.479 26.194 1.361 0.60 56.90 ? 292 PHE c CA 1 ? ? +35409 ATOM C C A PHE W 19 274 ? -19.676 27.137 1.577 0.40 57.75 ? 292 PHE c C 1 ? ? +35410 ATOM C C B PHE W 19 274 ? -19.715 27.061 1.574 0.60 57.63 ? 292 PHE c C 1 ? ? +35411 ATOM O O A PHE W 19 274 ? -20.282 27.619 0.623 0.40 57.93 ? 292 PHE c O 1 ? ? +35412 ATOM O O B PHE W 19 274 ? -20.377 27.444 0.612 0.60 57.79 ? 292 PHE c O 1 ? ? +35413 ATOM C CB A PHE W 19 274 ? -18.966 24.790 1.307 0.40 56.75 ? 292 PHE c CB 1 ? ? +35414 ATOM C CB B PHE W 19 274 ? -18.965 24.744 1.342 0.60 56.60 ? 292 PHE c CB 1 ? ? +35415 ATOM C CG A PHE W 19 274 ? -18.012 23.833 0.656 0.40 55.96 ? 292 PHE c CG 1 ? ? +35416 ATOM C CG B PHE W 19 274 ? -18.019 23.810 0.655 0.60 55.81 ? 292 PHE c CG 1 ? ? +35417 ATOM C CD1 A PHE W 19 274 ? -17.873 23.800 -0.717 0.40 55.63 ? 292 PHE c CD1 1 ? ? +35418 ATOM C CD1 B PHE W 19 274 ? -17.911 23.805 -0.722 0.60 55.48 ? 292 PHE c CD1 1 ? ? +35419 ATOM C CD2 A PHE W 19 274 ? -17.242 22.976 1.418 0.40 55.60 ? 292 PHE c CD2 1 ? ? +35420 ATOM C CD2 B PHE W 19 274 ? -17.219 22.953 1.386 0.60 55.42 ? 292 PHE c CD2 1 ? ? +35421 ATOM C CE1 A PHE W 19 274 ? -16.988 22.920 -1.317 0.40 54.99 ? 292 PHE c CE1 1 ? ? +35422 ATOM C CE1 B PHE W 19 274 ? -17.026 22.949 -1.358 0.60 54.83 ? 292 PHE c CE1 1 ? ? +35423 ATOM C CE2 A PHE W 19 274 ? -16.354 22.100 0.817 0.40 54.95 ? 292 PHE c CE2 1 ? ? +35424 ATOM C CE2 B PHE W 19 274 ? -16.329 22.102 0.752 0.60 54.77 ? 292 PHE c CE2 1 ? ? +35425 ATOM C CZ A PHE W 19 274 ? -16.230 22.076 -0.548 0.40 54.63 ? 292 PHE c CZ 1 ? ? +35426 ATOM C CZ B PHE W 19 274 ? -16.235 22.104 -0.618 0.60 54.47 ? 292 PHE c CZ 1 ? ? +35427 ATOM N N A ASN W 19 275 ? -20.042 27.335 2.843 0.40 58.18 ? 293 ASN c N 1 ? ? +35428 ATOM N N B ASN W 19 275 ? -20.048 27.319 2.840 0.60 58.09 ? 293 ASN c N 1 ? ? +35429 ATOM C CA A ASN W 19 275 ? -21.295 27.997 3.156 0.40 58.92 ? 293 ASN c CA 1 ? ? +35430 ATOM C CA B ASN W 19 275 ? -21.290 27.998 3.161 0.60 58.86 ? 293 ASN c CA 1 ? ? +35431 ATOM C C A ASN W 19 275 ? -21.120 29.511 3.144 0.40 59.33 ? 293 ASN c C 1 ? ? +35432 ATOM C C B ASN W 19 275 ? -21.096 29.510 3.119 0.60 59.29 ? 293 ASN c C 1 ? ? +35433 ATOM O O A ASN W 19 275 ? -20.197 30.035 3.759 0.40 59.28 ? 293 ASN c O 1 ? ? +35434 ATOM O O B ASN W 19 275 ? -20.135 30.031 3.685 0.60 59.21 ? 293 ASN c O 1 ? ? +35435 ATOM C CB A ASN W 19 275 ? -21.829 27.518 4.497 0.40 59.24 ? 293 ASN c CB 1 ? ? +35436 ATOM C CB B ASN W 19 275 ? -21.813 27.550 4.517 0.60 59.17 ? 293 ASN c CB 1 ? ? +35437 ATOM C CG A ASN W 19 275 ? -23.217 28.003 4.752 0.40 59.98 ? 293 ASN c CG 1 ? ? +35438 ATOM C CG B ASN W 19 275 ? -23.169 28.116 4.802 0.60 59.90 ? 293 ASN c CG 1 ? ? +35439 ATOM O OD1 A ASN W 19 275 ? -23.441 29.187 5.002 0.40 60.48 ? 293 ASN c OD1 1 ? ? +35440 ATOM O OD1 B ASN W 19 275 ? -23.313 29.319 5.010 0.60 60.34 ? 293 ASN c OD1 1 ? ? +35441 ATOM N ND2 A ASN W 19 275 ? -24.169 27.092 4.689 0.40 60.09 ? 293 ASN c ND2 1 ? ? +35442 ATOM N ND2 B ASN W 19 275 ? -24.184 27.270 4.804 0.60 60.06 ? 293 ASN c ND2 1 ? ? +35443 ATOM N N . ASN W 19 276 ? -22.022 30.197 2.439 1.00 59.75 ? 294 ASN c N 1 ? ? +35444 ATOM C CA . ASN W 19 276 ? -21.980 31.645 2.334 1.00 60.20 ? 294 ASN c CA 1 ? ? +35445 ATOM C CB . ASN W 19 276 ? -21.713 32.052 0.876 1.00 60.02 ? 294 ASN c CB 1 ? ? +35446 ATOM C CG . ASN W 19 276 ? -22.780 31.627 -0.090 1.00 60.15 ? 294 ASN c CG 1 ? ? +35447 ATOM O OD1 . ASN W 19 276 ? -23.800 31.044 0.286 1.00 60.46 ? 294 ASN c OD1 1 ? ? +35448 ATOM N ND2 . ASN W 19 276 ? -22.552 31.906 -1.360 1.00 59.97 ? 294 ASN c ND2 1 ? ? +35449 ATOM C C . ASN W 19 276 ? -23.247 32.309 2.873 1.00 61.01 ? 294 ASN c C 1 ? ? +35450 ATOM O O . ASN W 19 276 ? -23.506 33.472 2.566 1.00 61.44 ? 294 ASN c O 1 ? ? +35451 ATOM N N . THR W 19 277 ? -24.011 31.570 3.695 1.00 61.21 ? 295 THR c N 1 ? ? +35452 ATOM C CA . THR W 19 277 ? -25.209 32.082 4.344 1.00 61.97 ? 295 THR c CA 1 ? ? +35453 ATOM C CB . THR W 19 277 ? -26.337 31.043 4.320 1.00 62.09 ? 295 THR c CB 1 ? ? +35454 ATOM O OG1 . THR W 19 277 ? -26.639 30.707 2.970 1.00 61.82 ? 295 THR c OG1 1 ? ? +35455 ATOM C CG2 . THR W 19 277 ? -27.619 31.553 5.008 1.00 63.05 ? 295 THR c CG2 1 ? ? +35456 ATOM C C . THR W 19 277 ? -24.892 32.510 5.773 1.00 62.28 ? 295 THR c C 1 ? ? +35457 ATOM O O . THR W 19 277 ? -25.107 33.658 6.137 1.00 62.95 ? 295 THR c O 1 ? ? +35458 ATOM N N . VAL W 19 278 ? -24.398 31.575 6.586 1.00 61.96 ? 296 VAL c N 1 ? ? +35459 ATOM C CA . VAL W 19 278 ? -24.013 31.876 7.957 1.00 62.29 ? 296 VAL c CA 1 ? ? +35460 ATOM C CB . VAL W 19 278 ? -24.265 30.666 8.894 1.00 62.24 ? 296 VAL c CB 1 ? ? +35461 ATOM C CG1 . VAL W 19 278 ? -25.724 30.254 8.892 1.00 62.73 ? 296 VAL c CG1 1 ? ? +35462 ATOM C CG2 . VAL W 19 278 ? -23.379 29.479 8.541 1.00 61.41 ? 296 VAL c CG2 1 ? ? +35463 ATOM C C . VAL W 19 278 ? -22.560 32.353 8.048 1.00 61.90 ? 296 VAL c C 1 ? ? +35464 ATOM O O . VAL W 19 278 ? -22.111 32.789 9.102 1.00 62.06 ? 296 VAL c O 1 ? ? +35465 ATOM N N . TYR W 19 279 ? -21.820 32.239 6.943 1.00 61.41 ? 297 TYR c N 1 ? ? +35466 ATOM C CA . TYR W 19 279 ? -20.580 32.972 6.759 1.00 61.25 ? 297 TYR c CA 1 ? ? +35467 ATOM C CB . TYR W 19 279 ? -19.397 32.015 6.617 1.00 60.53 ? 297 TYR c CB 1 ? ? +35468 ATOM C CG . TYR W 19 279 ? -19.183 31.153 7.830 1.00 60.57 ? 297 TYR c CG 1 ? ? +35469 ATOM C CD1 . TYR W 19 279 ? -18.412 31.594 8.891 1.00 60.84 ? 297 TYR c CD1 1 ? ? +35470 ATOM C CD2 . TYR W 19 279 ? -19.783 29.909 7.935 1.00 60.47 ? 297 TYR c CD2 1 ? ? +35471 ATOM C CE1 . TYR W 19 279 ? -18.218 30.804 10.022 1.00 60.90 ? 297 TYR c CE1 1 ? ? +35472 ATOM C CE2 . TYR W 19 279 ? -19.603 29.109 9.059 1.00 60.51 ? 297 TYR c CE2 1 ? ? +35473 ATOM C CZ . TYR W 19 279 ? -18.819 29.558 10.105 1.00 60.74 ? 297 TYR c CZ 1 ? ? +35474 ATOM O OH . TYR W 19 279 ? -18.644 28.768 11.224 1.00 60.85 ? 297 TYR c OH 1 ? ? +35475 ATOM C C . TYR W 19 279 ? -20.762 33.840 5.519 1.00 61.34 ? 297 TYR c C 1 ? ? +35476 ATOM O O . TYR W 19 279 ? -20.387 33.440 4.425 1.00 60.84 ? 297 TYR c O 1 ? ? +35477 ATOM N N . PRO W 19 280 ? -21.382 35.038 5.629 1.00 62.03 ? 298 PRO c N 1 ? ? +35478 ATOM C CA . PRO W 19 280 ? -21.622 35.881 4.455 1.00 62.19 ? 298 PRO c CA 1 ? ? +35479 ATOM C CB . PRO W 19 280 ? -22.375 37.081 5.021 1.00 63.07 ? 298 PRO c CB 1 ? ? +35480 ATOM C CG . PRO W 19 280 ? -22.880 36.632 6.357 1.00 63.40 ? 298 PRO c CG 1 ? ? +35481 ATOM C CD . PRO W 19 280 ? -21.891 35.640 6.869 1.00 62.72 ? 298 PRO c CD 1 ? ? +35482 ATOM C C . PRO W 19 280 ? -20.330 36.303 3.761 1.00 61.72 ? 298 PRO c C 1 ? ? +35483 ATOM O O . PRO W 19 280 ? -19.358 36.659 4.421 1.00 61.67 ? 298 PRO c O 1 ? ? +35484 ATOM N N . SER W 19 281 ? -20.333 36.253 2.423 1.00 61.37 ? 299 SER c N 1 ? ? +35485 ATOM C CA . SER W 19 281 ? -19.161 36.598 1.638 1.00 60.85 ? 299 SER c CA 1 ? ? +35486 ATOM C CB . SER W 19 281 ? -19.343 36.164 0.194 1.00 60.36 ? 299 SER c CB 1 ? ? +35487 ATOM O OG . SER W 19 281 ? -19.448 34.754 0.144 1.00 59.71 ? 299 SER c OG 1 ? ? +35488 ATOM C C . SER W 19 281 ? -18.842 38.088 1.728 1.00 61.45 ? 299 SER c C 1 ? ? +35489 ATOM O O . SER W 19 281 ? -17.696 38.483 1.540 1.00 61.23 ? 299 SER c O 1 ? ? +35490 ATOM N N . GLU W 19 282 ? -19.856 38.904 2.033 1.00 62.26 ? 300 GLU c N 1 ? ? +35491 ATOM C CA . GLU W 19 282 ? -19.655 40.318 2.306 1.00 62.89 ? 300 GLU c CA 1 ? ? +35492 ATOM C CB . GLU W 19 282 ? -20.981 41.020 2.713 1.00 63.84 ? 300 GLU c CB 1 ? ? +35493 ATOM C CG . GLU W 19 282 ? -22.086 41.002 1.675 1.00 64.16 ? 300 GLU c CG 1 ? ? +35494 ATOM C CD . GLU W 19 282 ? -23.079 39.867 1.821 1.00 64.14 ? 300 GLU c CD 1 ? ? +35495 ATOM O OE1 . GLU W 19 282 ? -22.633 38.706 1.934 1.00 63.50 ? 300 GLU c OE1 1 ? ? +35496 ATOM O OE2 . GLU W 19 282 ? -24.301 40.129 1.780 1.00 64.87 ? 300 GLU c OE2 1 ? ? +35497 ATOM C C . GLU W 19 282 ? -18.649 40.550 3.431 1.00 62.78 ? 300 GLU c C 1 ? ? +35498 ATOM O O . GLU W 19 282 ? -17.967 41.570 3.433 1.00 62.99 ? 300 GLU c O 1 ? ? +35499 ATOM N N . PHE W 19 283 ? -18.617 39.637 4.414 1.00 62.53 ? 301 PHE c N 1 ? ? +35500 ATOM C CA . PHE W 19 283 ? -17.757 39.772 5.580 1.00 62.57 ? 301 PHE c CA 1 ? ? +35501 ATOM C CB . PHE W 19 283 ? -18.552 39.442 6.835 1.00 62.98 ? 301 PHE c CB 1 ? ? +35502 ATOM C CG . PHE W 19 283 ? -19.865 40.196 6.988 1.00 63.80 ? 301 PHE c CG 1 ? ? +35503 ATOM C CD1 . PHE W 19 283 ? -19.947 41.548 6.697 1.00 64.36 ? 301 PHE c CD1 1 ? ? +35504 ATOM C CD2 . PHE W 19 283 ? -20.998 39.560 7.464 1.00 64.00 ? 301 PHE c CD2 1 ? ? +35505 ATOM C CE1 . PHE W 19 283 ? -21.141 42.229 6.841 1.00 65.13 ? 301 PHE c CE1 1 ? ? +35506 ATOM C CE2 . PHE W 19 283 ? -22.187 40.249 7.618 1.00 64.79 ? 301 PHE c CE2 1 ? ? +35507 ATOM C CZ . PHE W 19 283 ? -22.255 41.576 7.310 1.00 65.36 ? 301 PHE c CZ 1 ? ? +35508 ATOM C C . PHE W 19 283 ? -16.502 38.895 5.519 1.00 61.85 ? 301 PHE c C 1 ? ? +35509 ATOM O O . PHE W 19 283 ? -15.408 39.326 5.883 1.00 61.80 ? 301 PHE c O 1 ? ? +35510 ATOM N N . TYR W 19 284 ? -16.672 37.657 5.051 1.00 61.31 ? 302 TYR c N 1 ? ? +35511 ATOM C CA . TYR W 19 284 ? -15.602 36.677 5.018 1.00 60.54 ? 302 TYR c CA 1 ? ? +35512 ATOM C CB . TYR W 19 284 ? -16.201 35.317 5.360 1.00 60.41 ? 302 TYR c CB 1 ? ? +35513 ATOM C CG . TYR W 19 284 ? -16.615 35.184 6.805 1.00 60.97 ? 302 TYR c CG 1 ? ? +35514 ATOM C CD1 . TYR W 19 284 ? -15.680 34.890 7.791 1.00 60.87 ? 302 TYR c CD1 1 ? ? +35515 ATOM C CD2 . TYR W 19 284 ? -17.944 35.364 7.192 1.00 61.62 ? 302 TYR c CD2 1 ? ? +35516 ATOM C CE1 . TYR W 19 284 ? -16.053 34.760 9.123 1.00 61.34 ? 302 TYR c CE1 1 ? ? +35517 ATOM C CE2 . TYR W 19 284 ? -18.329 35.243 8.521 1.00 62.08 ? 302 TYR c CE2 1 ? ? +35518 ATOM C CZ . TYR W 19 284 ? -17.378 34.940 9.483 1.00 61.98 ? 302 TYR c CZ 1 ? ? +35519 ATOM O OH . TYR W 19 284 ? -17.736 34.805 10.794 1.00 62.56 ? 302 TYR c OH 1 ? ? +35520 ATOM C C . TYR W 19 284 ? -14.888 36.574 3.674 1.00 59.84 ? 302 TYR c C 1 ? ? +35521 ATOM O O . TYR W 19 284 ? -13.887 35.871 3.564 1.00 59.29 ? 302 TYR c O 1 ? ? +35522 ATOM N N A GLY W 19 285 ? -15.413 37.273 2.663 0.40 60.02 ? 303 GLY c N 1 ? ? +35523 ATOM N N B GLY W 19 285 ? -15.415 37.281 2.667 0.60 59.97 ? 303 GLY c N 1 ? ? +35524 ATOM C CA A GLY W 19 285 ? -14.935 37.148 1.297 0.40 59.51 ? 303 GLY c CA 1 ? ? +35525 ATOM C CA B GLY W 19 285 ? -14.931 37.176 1.302 0.60 59.42 ? 303 GLY c CA 1 ? ? +35526 ATOM C C A GLY W 19 285 ? -15.583 35.963 0.587 0.40 59.01 ? 303 GLY c C 1 ? ? +35527 ATOM C C B GLY W 19 285 ? -15.581 36.009 0.565 0.60 58.90 ? 303 GLY c C 1 ? ? +35528 ATOM O O A GLY W 19 285 ? -16.210 35.119 1.222 0.40 58.98 ? 303 GLY c O 1 ? ? +35529 ATOM O O B GLY W 19 285 ? -16.260 35.188 1.172 0.60 58.89 ? 303 GLY c O 1 ? ? +35530 ATOM N N A PRO W 19 286 ? -15.423 35.841 -0.747 0.40 58.61 ? 304 PRO c N 1 ? ? +35531 ATOM N N B PRO W 19 286 ? -15.379 35.876 -0.763 0.60 58.43 ? 304 PRO c N 1 ? ? +35532 ATOM C CA A PRO W 19 286 ? -16.058 34.757 -1.492 0.40 58.22 ? 304 PRO c CA 1 ? ? +35533 ATOM C CA B PRO W 19 286 ? -16.005 34.795 -1.517 0.60 58.02 ? 304 PRO c CA 1 ? ? +35534 ATOM C C A PRO W 19 286 ? -15.453 33.407 -1.130 0.40 57.52 ? 304 PRO c C 1 ? ? +35535 ATOM C C B PRO W 19 286 ? -15.423 33.434 -1.163 0.60 57.31 ? 304 PRO c C 1 ? ? +35536 ATOM O O A PRO W 19 286 ? -14.301 33.333 -0.706 0.40 57.25 ? 304 PRO c O 1 ? ? +35537 ATOM O O B PRO W 19 286 ? -14.253 33.333 -0.793 0.60 57.02 ? 304 PRO c O 1 ? ? +35538 ATOM C CB A PRO W 19 286 ? -15.781 35.134 -2.945 0.40 58.08 ? 304 PRO c CB 1 ? ? +35539 ATOM C CB B PRO W 19 286 ? -15.697 35.164 -2.962 0.60 57.89 ? 304 PRO c CB 1 ? ? +35540 ATOM C CG A PRO W 19 286 ? -14.506 35.928 -2.878 0.40 58.04 ? 304 PRO c CG 1 ? ? +35541 ATOM C CG B PRO W 19 286 ? -14.414 35.946 -2.874 0.60 57.84 ? 304 PRO c CG 1 ? ? +35542 ATOM C CD A PRO W 19 286 ? -14.587 36.703 -1.596 0.40 58.58 ? 304 PRO c CD 1 ? ? +35543 ATOM C CD B PRO W 19 286 ? -14.515 36.725 -1.597 0.60 58.40 ? 304 PRO c CD 1 ? ? +35544 ATOM N N A THR W 19 287 ? -16.246 32.347 -1.304 0.40 57.27 ? 305 THR c N 1 ? ? +35545 ATOM N N B THR W 19 287 ? -16.248 32.393 -1.304 0.60 57.07 ? 305 THR c N 1 ? ? +35546 ATOM C CA A THR W 19 287 ? -15.733 30.994 -1.204 0.40 56.59 ? 305 THR c CA 1 ? ? +35547 ATOM C CA B THR W 19 287 ? -15.769 31.028 -1.197 0.60 56.37 ? 305 THR c CA 1 ? ? +35548 ATOM C C A THR W 19 287 ? -14.836 30.717 -2.410 0.40 56.00 ? 305 THR c C 1 ? ? +35549 ATOM C C B THR W 19 287 ? -14.826 30.755 -2.369 0.60 55.77 ? 305 THR c C 1 ? ? +35550 ATOM O O A THR W 19 287 ? -14.799 31.497 -3.361 0.40 56.16 ? 305 THR c O 1 ? ? +35551 ATOM O O B THR W 19 287 ? -14.677 31.584 -3.265 0.60 55.93 ? 305 THR c O 1 ? ? +35552 ATOM C CB A THR W 19 287 ? -16.883 29.987 -1.095 0.40 56.58 ? 305 THR c CB 1 ? ? +35553 ATOM C CB B THR W 19 287 ? -16.928 30.029 -1.154 0.60 56.35 ? 305 THR c CB 1 ? ? +35554 ATOM O OG1 A THR W 19 287 ? -17.560 29.925 -2.343 0.40 56.56 ? 305 THR c OG1 1 ? ? +35555 ATOM O OG1 B THR W 19 287 ? -17.580 30.028 -2.416 0.60 56.33 ? 305 THR c OG1 1 ? ? +35556 ATOM C CG2 A THR W 19 287 ? -17.860 30.339 0.001 0.40 57.22 ? 305 THR c CG2 1 ? ? +35557 ATOM C CG2 B THR W 19 287 ? -17.920 30.327 -0.047 0.60 56.98 ? 305 THR c CG2 1 ? ? +35558 ATOM N N A GLY W 19 288 ? -14.106 29.600 -2.360 0.40 55.33 ? 306 GLY c N 1 ? ? +35559 ATOM N N B GLY W 19 288 ? -14.178 29.588 -2.353 0.60 55.09 ? 306 GLY c N 1 ? ? +35560 ATOM C CA A GLY W 19 288 ? -13.360 29.128 -3.513 0.40 54.73 ? 306 GLY c CA 1 ? ? +35561 ATOM C CA B GLY W 19 288 ? -13.399 29.150 -3.497 0.60 54.48 ? 306 GLY c CA 1 ? ? +35562 ATOM C C A GLY W 19 288 ? -14.267 28.897 -4.718 0.40 54.69 ? 306 GLY c C 1 ? ? +35563 ATOM C C B GLY W 19 288 ? -14.291 28.924 -4.713 0.60 54.44 ? 306 GLY c C 1 ? ? +35564 ATOM O O A GLY W 19 288 ? -14.004 29.397 -5.807 0.40 54.64 ? 306 GLY c O 1 ? ? +35565 ATOM O O B GLY W 19 288 ? -14.041 29.464 -5.787 0.60 54.40 ? 306 GLY c O 1 ? ? +35566 ATOM N N A PRO W 19 289 ? -15.356 28.112 -4.568 0.40 54.72 ? 307 PRO c N 1 ? ? +35567 ATOM N N B PRO W 19 289 ? -15.352 28.097 -4.584 0.60 54.44 ? 307 PRO c N 1 ? ? +35568 ATOM C CA A PRO W 19 289 ? -16.344 27.968 -5.636 0.40 54.82 ? 307 PRO c CA 1 ? ? +35569 ATOM C CA B PRO W 19 289 ? -16.351 27.956 -5.644 0.60 54.53 ? 307 PRO c CA 1 ? ? +35570 ATOM C C A PRO W 19 289 ? -16.873 29.302 -6.153 0.40 55.36 ? 307 PRO c C 1 ? ? +35571 ATOM C C B PRO W 19 289 ? -16.905 29.278 -6.166 0.60 55.09 ? 307 PRO c C 1 ? ? +35572 ATOM O O A PRO W 19 289 ? -17.009 29.504 -7.356 0.40 55.36 ? 307 PRO c O 1 ? ? +35573 ATOM O O B PRO W 19 289 ? -17.067 29.455 -7.369 0.60 55.08 ? 307 PRO c O 1 ? ? +35574 ATOM C CB A PRO W 19 289 ? -17.440 27.139 -4.968 0.40 55.00 ? 307 PRO c CB 1 ? ? +35575 ATOM C CB B PRO W 19 289 ? -17.436 27.118 -4.973 0.60 54.71 ? 307 PRO c CB 1 ? ? +35576 ATOM C CG A PRO W 19 289 ? -16.707 26.346 -3.909 0.40 54.64 ? 307 PRO c CG 1 ? ? +35577 ATOM C CG B PRO W 19 289 ? -16.696 26.312 -3.930 0.60 54.34 ? 307 PRO c CG 1 ? ? +35578 ATOM C CD A PRO W 19 289 ? -15.663 27.284 -3.390 0.40 54.70 ? 307 PRO c CD 1 ? ? +35579 ATOM C CD B PRO W 19 289 ? -15.604 27.208 -3.437 0.60 54.37 ? 307 PRO c CD 1 ? ? +35580 ATOM N N A GLU W 19 290 ? -17.163 30.215 -5.226 0.40 55.86 ? 308 GLU c N 1 ? ? +35581 ATOM N N B GLU W 19 290 ? -17.190 30.206 -5.251 0.60 55.60 ? 308 GLU c N 1 ? ? +35582 ATOM C CA A GLU W 19 290 ? -17.746 31.498 -5.571 0.40 56.46 ? 308 GLU c CA 1 ? ? +35583 ATOM C CA B GLU W 19 290 ? -17.750 31.497 -5.613 0.60 56.20 ? 308 GLU c CA 1 ? ? +35584 ATOM C C A GLU W 19 290 ? -16.816 32.310 -6.467 0.40 56.32 ? 308 GLU c C 1 ? ? +35585 ATOM C C B GLU W 19 290 ? -16.807 32.305 -6.501 0.60 56.04 ? 308 GLU c C 1 ? ? +35586 ATOM O O A GLU W 19 290 ? -17.228 32.797 -7.515 0.40 56.51 ? 308 GLU c O 1 ? ? +35587 ATOM O O B GLU W 19 290 ? -17.211 32.789 -7.556 0.60 56.22 ? 308 GLU c O 1 ? ? +35588 ATOM C CB A GLU W 19 290 ? -18.059 32.260 -4.292 0.40 57.03 ? 308 GLU c CB 1 ? ? +35589 ATOM C CB B GLU W 19 290 ? -18.070 32.248 -4.331 0.60 56.78 ? 308 GLU c CB 1 ? ? +35590 ATOM C CG A GLU W 19 290 ? -18.741 33.587 -4.507 0.40 57.76 ? 308 GLU c CG 1 ? ? +35591 ATOM C CG B GLU W 19 290 ? -18.699 33.604 -4.521 0.60 57.51 ? 308 GLU c CG 1 ? ? +35592 ATOM C CD A GLU W 19 290 ? -19.551 34.022 -3.311 0.40 58.39 ? 308 GLU c CD 1 ? ? +35593 ATOM C CD B GLU W 19 290 ? -19.440 34.047 -3.287 0.60 58.14 ? 308 GLU c CD 1 ? ? +35594 ATOM O OE1 A GLU W 19 290 ? -19.033 33.926 -2.176 0.40 58.34 ? 308 GLU c OE1 1 ? ? +35595 ATOM O OE1 B GLU W 19 290 ? -18.956 33.748 -2.173 0.60 58.01 ? 308 GLU c OE1 1 ? ? +35596 ATOM O OE2 A GLU W 19 290 ? -20.710 34.457 -3.505 0.40 59.01 ? 308 GLU c OE2 1 ? ? +35597 ATOM O OE2 B GLU W 19 290 ? -20.507 34.688 -3.426 0.60 58.82 ? 308 GLU c OE2 1 ? ? +35598 ATOM N N A ALA W 19 291 ? -15.554 32.440 -6.045 0.40 55.99 ? 309 ALA c N 1 ? ? +35599 ATOM N N B ALA W 19 291 ? -15.545 32.425 -6.066 0.60 55.71 ? 309 ALA c N 1 ? ? +35600 ATOM C CA A ALA W 19 291 ? -14.578 33.225 -6.782 0.40 55.87 ? 309 ALA c CA 1 ? ? +35601 ATOM C CA B ALA W 19 291 ? -14.528 33.172 -6.792 0.60 55.57 ? 309 ALA c CA 1 ? ? +35602 ATOM C C A ALA W 19 291 ? -14.358 32.651 -8.178 0.40 55.40 ? 309 ALA c C 1 ? ? +35603 ATOM C C B ALA W 19 291 ? -14.251 32.581 -8.172 0.60 55.06 ? 309 ALA c C 1 ? ? +35604 ATOM O O A ALA W 19 291 ? -14.307 33.390 -9.156 0.40 55.58 ? 309 ALA c O 1 ? ? +35605 ATOM O O B ALA W 19 291 ? -14.083 33.309 -9.145 0.60 55.20 ? 309 ALA c O 1 ? ? +35606 ATOM C CB A ALA W 19 291 ? -13.273 33.288 -6.017 0.40 55.61 ? 309 ALA c CB 1 ? ? +35607 ATOM C CB B ALA W 19 291 ? -13.250 33.223 -5.983 0.60 55.30 ? 309 ALA c CB 1 ? ? +35608 ATOM N N A SER W 19 292 ? -14.258 31.323 -8.259 0.40 54.81 ? 310 SER c N 1 ? ? +35609 ATOM N N B SER W 19 292 ? -14.213 31.251 -8.242 0.60 54.50 ? 310 SER c N 1 ? ? +35610 ATOM C CA A SER W 19 292 ? -14.099 30.633 -9.527 0.40 54.37 ? 310 SER c CA 1 ? ? +35611 ATOM C CA B SER W 19 292 ? -14.072 30.549 -9.504 0.60 54.07 ? 310 SER c CA 1 ? ? +35612 ATOM C C A SER W 19 292 ? -15.253 30.918 -10.490 0.40 54.78 ? 310 SER c C 1 ? ? +35613 ATOM C C B SER W 19 292 ? -15.212 30.876 -10.469 0.60 54.50 ? 310 SER c C 1 ? ? +35614 ATOM O O A SER W 19 292 ? -15.026 31.296 -11.636 0.40 54.77 ? 310 SER c O 1 ? ? +35615 ATOM O O B SER W 19 292 ? -14.967 31.264 -11.610 0.60 54.49 ? 310 SER c O 1 ? ? +35616 ATOM C CB A SER W 19 292 ? -13.953 29.138 -9.276 0.40 53.78 ? 310 SER c CB 1 ? ? +35617 ATOM C CB B SER W 19 292 ? -13.999 29.055 -9.247 0.60 53.49 ? 310 SER c CB 1 ? ? +35618 ATOM O OG A SER W 19 292 ? -13.755 28.424 -10.480 0.40 53.34 ? 310 SER c OG 1 ? ? +35619 ATOM O OG B SER W 19 292 ? -13.863 28.339 -10.458 0.60 53.10 ? 310 SER c OG 1 ? ? +35620 ATOM N N A GLN W 19 293 ? -16.493 30.742 -10.013 0.40 55.16 ? 311 GLN c N 1 ? ? +35621 ATOM N N B GLN W 19 293 ? -16.456 30.734 -9.991 0.60 54.91 ? 311 GLN c N 1 ? ? +35622 ATOM C CA A GLN W 19 293 ? -17.681 31.057 -10.794 0.40 55.65 ? 311 GLN c CA 1 ? ? +35623 ATOM C CA B GLN W 19 293 ? -17.638 31.035 -10.785 0.60 55.38 ? 311 GLN c CA 1 ? ? +35624 ATOM C C A GLN W 19 293 ? -17.666 32.512 -11.255 0.40 56.21 ? 311 GLN c C 1 ? ? +35625 ATOM C C B GLN W 19 293 ? -17.670 32.498 -11.216 0.60 55.97 ? 311 GLN c C 1 ? ? +35626 ATOM O O A GLN W 19 293 ? -18.019 32.818 -12.391 0.40 56.39 ? 311 GLN c O 1 ? ? +35627 ATOM O O B GLN W 19 293 ? -18.050 32.803 -12.342 0.60 56.17 ? 311 GLN c O 1 ? ? +35628 ATOM C CB A GLN W 19 293 ? -18.954 30.791 -9.966 0.40 56.05 ? 311 GLN c CB 1 ? ? +35629 ATOM C CB B GLN W 19 293 ? -18.913 30.706 -9.995 0.60 55.77 ? 311 GLN c CB 1 ? ? +35630 ATOM C CG A GLN W 19 293 ? -19.196 29.323 -9.636 0.40 55.60 ? 311 GLN c CG 1 ? ? +35631 ATOM C CG B GLN W 19 293 ? -19.108 29.219 -9.730 0.60 55.32 ? 311 GLN c CG 1 ? ? +35632 ATOM C CD A GLN W 19 293 ? -19.829 28.587 -10.779 0.40 55.47 ? 311 GLN c CD 1 ? ? +35633 ATOM C CD B GLN W 19 293 ? -19.730 28.511 -10.892 0.60 55.19 ? 311 GLN c CD 1 ? ? +35634 ATOM O OE1 A GLN W 19 293 ? -20.987 28.813 -11.122 0.40 55.98 ? 311 GLN c OE1 1 ? ? +35635 ATOM O OE1 B GLN W 19 293 ? -20.930 28.615 -11.133 0.60 55.68 ? 311 GLN c OE1 1 ? ? +35636 ATOM N NE2 A GLN W 19 293 ? -19.092 27.687 -11.393 0.40 54.84 ? 311 GLN c NE2 1 ? ? +35637 ATOM N NE2 B GLN W 19 293 ? -18.940 27.764 -11.630 0.60 54.60 ? 311 GLN c NE2 1 ? ? +35638 ATOM N N A ALA W 19 294 ? -17.251 33.403 -10.350 0.40 56.52 ? 312 ALA c N 1 ? ? +35639 ATOM N N B ALA W 19 294 ? -17.266 33.393 -10.308 0.60 56.30 ? 312 ALA c N 1 ? ? +35640 ATOM C CA A ALA W 19 294 ? -17.228 34.832 -10.614 0.40 57.12 ? 312 ALA c CA 1 ? ? +35641 ATOM C CA B ALA W 19 294 ? -17.190 34.815 -10.600 0.60 56.88 ? 312 ALA c CA 1 ? ? +35642 ATOM C C A ALA W 19 294 ? -16.265 35.213 -11.737 0.40 56.93 ? 312 ALA c C 1 ? ? +35643 ATOM C C B ALA W 19 294 ? -16.287 35.152 -11.787 0.60 56.69 ? 312 ALA c C 1 ? ? +35644 ATOM O O A ALA W 19 294 ? -16.472 36.219 -12.412 0.40 57.39 ? 312 ALA c O 1 ? ? +35645 ATOM O O B ALA W 19 294 ? -16.599 36.059 -12.553 0.60 57.14 ? 312 ALA c O 1 ? ? +35646 ATOM C CB A ALA W 19 294 ? -16.868 35.581 -9.342 0.40 57.41 ? 312 ALA c CB 1 ? ? +35647 ATOM C CB B ALA W 19 294 ? -16.721 35.561 -9.364 0.60 57.14 ? 312 ALA c CB 1 ? ? +35648 ATOM N N A GLN W 19 295 ? -15.205 34.420 -11.933 0.40 56.29 ? 313 GLN c N 1 ? ? +35649 ATOM N N B GLN W 19 295 ? -15.167 34.432 -11.941 0.60 56.06 ? 313 GLN c N 1 ? ? +35650 ATOM C CA A GLN W 19 295 ? -14.288 34.671 -13.033 0.40 56.11 ? 313 GLN c CA 1 ? ? +35651 ATOM C CA B GLN W 19 295 ? -14.280 34.661 -13.073 0.60 55.87 ? 313 GLN c CA 1 ? ? +35652 ATOM C C A GLN W 19 295 ? -14.985 34.389 -14.362 0.40 56.21 ? 313 GLN c C 1 ? ? +35653 ATOM C C B GLN W 19 295 ? -14.992 34.359 -14.390 0.60 55.98 ? 313 GLN c C 1 ? ? +35654 ATOM O O A GLN W 19 295 ? -14.879 35.171 -15.302 0.40 56.49 ? 313 GLN c O 1 ? ? +35655 ATOM O O B GLN W 19 295 ? -14.925 35.143 -15.332 0.60 56.28 ? 313 GLN c O 1 ? ? +35656 ATOM C CB A GLN W 19 295 ? -13.004 33.837 -12.933 0.40 55.34 ? 313 GLN c CB 1 ? ? +35657 ATOM C CB B GLN W 19 295 ? -12.985 33.829 -12.981 0.60 55.09 ? 313 GLN c CB 1 ? ? +35658 ATOM C CG A GLN W 19 295 ? -12.139 33.974 -14.186 0.40 55.07 ? 313 GLN c CG 1 ? ? +35659 ATOM C CG B GLN W 19 295 ? -12.103 33.973 -14.234 0.60 54.82 ? 313 GLN c CG 1 ? ? +35660 ATOM C CD A GLN W 19 295 ? -10.733 33.411 -14.028 0.40 54.45 ? 313 GLN c CD 1 ? ? +35661 ATOM C CD B GLN W 19 295 ? -10.693 33.400 -14.101 0.60 54.18 ? 313 GLN c CD 1 ? ? +35662 ATOM O OE1 A GLN W 19 295 ? -9.734 34.128 -14.142 0.40 54.47 ? 313 GLN c OE1 1 ? ? +35663 ATOM O OE1 B GLN W 19 295 ? -9.699 34.086 -14.341 0.60 54.17 ? 313 GLN c OE1 1 ? ? +35664 ATOM N NE2 A GLN W 19 295 ? -10.620 32.121 -13.781 0.40 53.86 ? 313 GLN c NE2 1 ? ? +35665 ATOM N NE2 B GLN W 19 295 ? -10.577 32.133 -13.756 0.60 53.61 ? 313 GLN c NE2 1 ? ? +35666 ATOM N N A ALA W 19 296 ? -15.701 33.265 -14.431 0.40 56.07 ? 314 ALA c N 1 ? ? +35667 ATOM N N B ALA W 19 296 ? -15.664 33.208 -14.456 0.60 55.83 ? 314 ALA c N 1 ? ? +35668 ATOM C CA A ALA W 19 296 ? -16.433 32.901 -15.633 0.40 56.22 ? 314 ALA c CA 1 ? ? +35669 ATOM C CA B ALA W 19 296 ? -16.411 32.834 -15.646 0.60 55.99 ? 314 ALA c CA 1 ? ? +35670 ATOM C C A ALA W 19 296 ? -17.451 33.985 -15.984 0.40 57.09 ? 314 ALA c C 1 ? ? +35671 ATOM C C B ALA W 19 296 ? -17.454 33.894 -16.000 0.60 56.89 ? 314 ALA c C 1 ? ? +35672 ATOM O O A ALA W 19 296 ? -17.558 34.389 -17.139 0.40 57.34 ? 314 ALA c O 1 ? ? +35673 ATOM O O B ALA W 19 296 ? -17.623 34.223 -17.171 0.60 57.15 ? 314 ALA c O 1 ? ? +35674 ATOM C CB A ALA W 19 296 ? -17.117 31.554 -15.447 0.40 55.91 ? 314 ALA c CB 1 ? ? +35675 ATOM C CB B ALA W 19 296 ? -17.070 31.476 -15.451 0.60 55.67 ? 314 ALA c CB 1 ? ? +35676 ATOM N N A MET W 19 297 ? -18.183 34.453 -14.967 0.40 57.64 ? 315 MET c N 1 ? ? +35677 ATOM N N B MET W 19 297 ? -18.129 34.433 -14.975 0.60 57.47 ? 315 MET c N 1 ? ? +35678 ATOM C CA A MET W 19 297 ? -19.180 35.502 -15.122 0.40 58.51 ? 315 MET c CA 1 ? ? +35679 ATOM C CA B MET W 19 297 ? -19.138 35.473 -15.135 0.60 58.35 ? 315 MET c CA 1 ? ? +35680 ATOM C C A MET W 19 297 ? -18.545 36.791 -15.644 0.40 58.81 ? 315 MET c C 1 ? ? +35681 ATOM C C B MET W 19 297 ? -18.509 36.769 -15.644 0.60 58.67 ? 315 MET c C 1 ? ? +35682 ATOM O O A MET W 19 297 ? -19.092 37.452 -16.520 0.40 59.27 ? 315 MET c O 1 ? ? +35683 ATOM O O B MET W 19 297 ? -19.055 37.423 -16.529 0.60 59.11 ? 315 MET c O 1 ? ? +35684 ATOM C CB A MET W 19 297 ? -19.853 35.738 -13.757 0.40 58.96 ? 315 MET c CB 1 ? ? +35685 ATOM C CB B MET W 19 297 ? -19.842 35.678 -13.770 0.60 58.81 ? 315 MET c CB 1 ? ? +35686 ATOM C CG A MET W 19 297 ? -20.586 37.058 -13.616 0.40 59.89 ? 315 MET c CG 1 ? ? +35687 ATOM C CG B MET W 19 297 ? -20.691 36.935 -13.627 0.60 59.78 ? 315 MET c CG 1 ? ? +35688 ATOM S SD A MET W 19 297 ? -22.389 36.916 -13.694 0.40 60.62 ? 315 MET c SD 1 ? ? +35689 ATOM S SD B MET W 19 297 ? -22.485 36.641 -13.652 0.60 60.47 ? 315 MET c SD 1 ? ? +35690 ATOM C CE A MET W 19 297 ? -22.555 36.128 -15.310 0.40 60.32 ? 315 MET c CE 1 ? ? +35691 ATOM C CE B MET W 19 297 ? -22.650 36.037 -15.321 0.60 60.24 ? 315 MET c CE 1 ? ? +35692 ATOM N N A THR W 19 298 ? -17.380 37.142 -15.093 0.40 58.57 ? 316 THR c N 1 ? ? +35693 ATOM N N B THR W 19 298 ? -17.348 37.123 -15.080 0.60 58.45 ? 316 THR c N 1 ? ? +35694 ATOM C CA A THR W 19 298 ? -16.693 38.368 -15.463 0.40 58.89 ? 316 THR c CA 1 ? ? +35695 ATOM C CA B THR W 19 298 ? -16.629 38.336 -15.443 0.60 58.75 ? 316 THR c CA 1 ? ? +35696 ATOM C C A THR W 19 298 ? -16.361 38.410 -16.953 0.40 58.77 ? 316 THR c C 1 ? ? +35697 ATOM C C B THR W 19 298 ? -16.197 38.391 -16.909 0.60 58.62 ? 316 THR c C 1 ? ? +35698 ATOM O O A THR W 19 298 ? -16.599 39.416 -17.617 0.40 59.32 ? 316 THR c O 1 ? ? +35699 ATOM O O B THR W 19 298 ? -16.224 39.455 -17.522 0.60 59.12 ? 316 THR c O 1 ? ? +35700 ATOM C CB A THR W 19 298 ? -15.448 38.528 -14.596 0.40 58.59 ? 316 THR c CB 1 ? ? +35701 ATOM C CB B THR W 19 298 ? -15.410 38.497 -14.525 0.60 58.46 ? 316 THR c CB 1 ? ? +35702 ATOM O OG1 A THR W 19 298 ? -15.876 38.737 -13.245 0.40 58.84 ? 316 THR c OG1 1 ? ? +35703 ATOM O OG1 B THR W 19 298 ? -15.878 38.662 -13.185 0.60 58.71 ? 316 THR c OG1 1 ? ? +35704 ATOM C CG2 A THR W 19 298 ? -14.547 39.678 -15.063 0.40 58.85 ? 316 THR c CG2 1 ? ? +35705 ATOM C CG2 B THR W 19 298 ? -14.513 39.683 -14.925 0.60 58.74 ? 316 THR c CG2 1 ? ? +35706 ATOM N N A PHE W 19 299 ? -15.821 37.303 -17.473 0.40 58.07 ? 317 PHE c N 1 ? ? +35707 ATOM N N B PHE W 19 299 ? -15.786 37.249 -17.466 0.60 57.97 ? 317 PHE c N 1 ? ? +35708 ATOM C CA A PHE W 19 299 ? -15.379 37.247 -18.857 0.40 57.91 ? 317 PHE c CA 1 ? ? +35709 ATOM C CA B PHE W 19 299 ? -15.353 37.214 -18.853 0.60 57.84 ? 317 PHE c CA 1 ? ? +35710 ATOM C C A PHE W 19 299 ? -16.511 36.951 -19.836 0.40 58.13 ? 317 PHE c C 1 ? ? +35711 ATOM C C B PHE W 19 299 ? -16.502 36.953 -19.823 0.60 58.11 ? 317 PHE c C 1 ? ? +35712 ATOM O O A PHE W 19 299 ? -16.422 37.299 -21.012 0.40 58.31 ? 317 PHE c O 1 ? ? +35713 ATOM O O B PHE W 19 299 ? -16.419 37.345 -20.983 0.60 58.33 ? 317 PHE c O 1 ? ? +35714 ATOM C CB A PHE W 19 299 ? -14.245 36.235 -18.986 0.40 57.13 ? 317 PHE c CB 1 ? ? +35715 ATOM C CB B PHE W 19 299 ? -14.216 36.210 -19.015 0.60 57.08 ? 317 PHE c CB 1 ? ? +35716 ATOM C CG A PHE W 19 299 ? -12.958 36.831 -18.483 0.40 57.05 ? 317 PHE c CG 1 ? ? +35717 ATOM C CG B PHE W 19 299 ? -12.921 36.803 -18.515 0.60 57.01 ? 317 PHE c CG 1 ? ? +35718 ATOM C CD1 A PHE W 19 299 ? -12.207 37.666 -19.285 0.40 57.24 ? 317 PHE c CD1 1 ? ? +35719 ATOM C CD1 B PHE W 19 299 ? -12.195 37.679 -19.300 0.60 57.24 ? 317 PHE c CD1 1 ? ? +35720 ATOM C CD2 A PHE W 19 299 ? -12.542 36.624 -17.183 0.40 56.84 ? 317 PHE c CD2 1 ? ? +35721 ATOM C CD2 B PHE W 19 299 ? -12.473 36.547 -17.231 0.60 56.77 ? 317 PHE c CD2 1 ? ? +35722 ATOM C CE1 A PHE W 19 299 ? -11.039 38.240 -18.814 0.40 57.20 ? 317 PHE c CE1 1 ? ? +35723 ATOM C CE1 B PHE W 19 299 ? -11.023 38.248 -18.829 0.60 57.20 ? 317 PHE c CE1 1 ? ? +35724 ATOM C CE2 A PHE W 19 299 ? -11.378 37.202 -16.715 0.40 56.81 ? 317 PHE c CE2 1 ? ? +35725 ATOM C CE2 B PHE W 19 299 ? -11.306 37.122 -16.764 0.60 56.75 ? 317 PHE c CE2 1 ? ? +35726 ATOM C CZ A PHE W 19 299 ? -10.632 38.006 -17.532 0.40 56.99 ? 317 PHE c CZ 1 ? ? +35727 ATOM C CZ B PHE W 19 299 ? -10.586 37.968 -17.565 0.60 56.97 ? 317 PHE c CZ 1 ? ? +35728 ATOM N N . LEU W 19 300 ? -17.580 36.325 -19.338 1.00 58.17 ? 318 LEU c N 1 ? ? +35729 ATOM C CA . LEU W 19 300 ? -18.813 36.222 -20.098 1.00 58.55 ? 318 LEU c CA 1 ? ? +35730 ATOM C CB . LEU W 19 300 ? -19.857 35.383 -19.353 1.00 58.57 ? 318 LEU c CB 1 ? ? +35731 ATOM C CG . LEU W 19 300 ? -21.161 35.120 -20.115 1.00 59.02 ? 318 LEU c CG 1 ? ? +35732 ATOM C CD1 . LEU W 19 300 ? -21.892 33.939 -19.577 1.00 58.80 ? 318 LEU c CD1 1 ? ? +35733 ATOM C CD2 . LEU W 19 300 ? -22.099 36.300 -20.053 1.00 59.92 ? 318 LEU c CD2 1 ? ? +35734 ATOM C C . LEU W 19 300 ? -19.312 37.641 -20.362 1.00 59.30 ? 318 LEU c C 1 ? ? +35735 ATOM O O . LEU W 19 300 ? -19.604 37.995 -21.502 1.00 59.70 ? 318 LEU c O 1 ? ? +35736 ATOM N N . ILE W 19 301 ? -19.361 38.467 -19.312 1.00 59.58 ? 319 ILE c N 1 ? ? +35737 ATOM C CA . ILE W 19 301 ? -19.846 39.832 -19.443 1.00 60.33 ? 319 ILE c CA 1 ? ? +35738 ATOM C CB . ILE W 19 301 ? -19.974 40.506 -18.064 1.00 60.69 ? 319 ILE c CB 1 ? ? +35739 ATOM C CG1 . ILE W 19 301 ? -21.067 39.852 -17.217 1.00 60.78 ? 319 ILE c CG1 1 ? ? +35740 ATOM C CG2 . ILE W 19 301 ? -20.244 42.004 -18.206 1.00 61.53 ? 319 ILE c CG2 1 ? ? +35741 ATOM C CD1 . ILE W 19 301 ? -20.998 40.215 -15.796 1.00 60.93 ? 319 ILE c CD1 1 ? ? +35742 ATOM C C . ILE W 19 301 ? -18.966 40.671 -20.363 1.00 60.39 ? 319 ILE c C 1 ? ? +35743 ATOM O O . ILE W 19 301 ? -19.470 41.392 -21.215 1.00 60.92 ? 319 ILE c O 1 ? ? +35744 ATOM N N . ARG W 19 302 ? -17.646 40.593 -20.162 1.00 59.87 ? 320 ARG c N 1 ? ? +35745 ATOM C CA . ARG W 19 302 ? -16.711 41.358 -20.967 1.00 59.91 ? 320 ARG c CA 1 ? ? +35746 ATOM C CB . ARG W 19 302 ? -15.259 41.069 -20.583 1.00 59.27 ? 320 ARG c CB 1 ? ? +35747 ATOM C CG . ARG W 19 302 ? -14.305 42.031 -21.259 1.00 59.50 ? 320 ARG c CG 1 ? ? +35748 ATOM C CD . ARG W 19 302 ? -12.897 41.550 -21.295 1.00 58.86 ? 320 ARG c CD 1 ? ? +35749 ATOM N NE . ARG W 19 302 ? -12.733 40.442 -22.225 1.00 58.30 ? 320 ARG c NE 1 ? ? +35750 ATOM C CZ . ARG W 19 302 ? -11.561 39.928 -22.579 1.00 57.71 ? 320 ARG c CZ 1 ? ? +35751 ATOM N NH1 . ARG W 19 302 ? -10.421 40.523 -22.262 1.00 57.70 ? 320 ARG c NH1 1 ? ? +35752 ATOM N NH2 . ARG W 19 302 ? -11.534 38.800 -23.285 1.00 57.15 ? 320 ARG c NH2 1 ? ? +35753 ATOM C C . ARG W 19 302 ? -16.912 41.027 -22.439 1.00 59.85 ? 320 ARG c C 1 ? ? +35754 ATOM O O . ARG W 19 302 ? -17.038 41.919 -23.273 1.00 60.40 ? 320 ARG c O 1 ? ? +35755 ATOM N N . ASP W 19 303 ? -16.940 39.728 -22.742 1.00 59.23 ? 321 ASP c N 1 ? ? +35756 ATOM C CA . ASP W 19 303 ? -16.910 39.284 -24.122 1.00 59.09 ? 321 ASP c CA 1 ? ? +35757 ATOM C CB . ASP W 19 303 ? -16.466 37.826 -24.213 1.00 58.21 ? 321 ASP c CB 1 ? ? +35758 ATOM C CG . ASP W 19 303 ? -15.006 37.617 -23.837 1.00 57.56 ? 321 ASP c CG 1 ? ? +35759 ATOM O OD1 . ASP W 19 303 ? -14.336 38.603 -23.509 1.00 57.75 ? 321 ASP c OD1 1 ? ? +35760 ATOM O OD2 . ASP W 19 303 ? -14.549 36.466 -23.870 1.00 56.85 ? 321 ASP c OD2 1 ? ? +35761 ATOM C C . ASP W 19 303 ? -18.251 39.518 -24.798 1.00 59.79 ? 321 ASP c C 1 ? ? +35762 ATOM O O . ASP W 19 303 ? -18.280 39.850 -25.980 1.00 60.09 ? 321 ASP c O 1 ? ? +35763 ATOM N N . GLN W 19 304 ? -19.342 39.380 -24.037 1.00 60.14 ? 322 GLN c N 1 ? ? +35764 ATOM C CA . GLN W 19 304 ? -20.670 39.648 -24.562 1.00 60.86 ? 322 GLN c CA 1 ? ? +35765 ATOM C CB . GLN W 19 304 ? -21.745 39.242 -23.556 1.00 61.06 ? 322 GLN c CB 1 ? ? +35766 ATOM C CG . GLN W 19 304 ? -23.158 39.419 -24.091 1.00 61.82 ? 322 GLN c CG 1 ? ? +35767 ATOM C CD . GLN W 19 304 ? -24.193 38.844 -23.162 1.00 61.96 ? 322 GLN c CD 1 ? ? +35768 ATOM O OE1 . GLN W 19 304 ? -24.322 39.256 -22.003 1.00 62.12 ? 322 GLN c OE1 1 ? ? +35769 ATOM N NE2 . GLN W 19 304 ? -24.929 37.861 -23.651 1.00 61.91 ? 322 GLN c NE2 1 ? ? +35770 ATOM C C . GLN W 19 304 ? -20.821 41.116 -24.949 1.00 61.70 ? 322 GLN c C 1 ? ? +35771 ATOM O O . GLN W 19 304 ? -21.407 41.418 -25.979 1.00 62.17 ? 322 GLN c O 1 ? ? +35772 ATOM N N . LYS W 19 305 ? -20.287 42.021 -24.120 1.00 61.99 ? 323 LYS c N 1 ? ? +35773 ATOM C CA . LYS W 19 305 ? -20.251 43.443 -24.436 1.00 62.79 ? 323 LYS c CA 1 ? ? +35774 ATOM C CB . LYS W 19 305 ? -19.601 44.251 -23.313 1.00 62.93 ? 323 LYS c CB 1 ? ? +35775 ATOM C CG . LYS W 19 305 ? -20.447 44.464 -22.092 1.00 63.32 ? 323 LYS c CG 1 ? ? +35776 ATOM C CD . LYS W 19 305 ? -19.719 45.317 -21.083 1.00 63.51 ? 323 LYS c CD 1 ? ? +35777 ATOM C CE . LYS W 19 305 ? -20.493 45.498 -19.810 1.00 63.91 ? 323 LYS c CE 1 ? ? +35778 ATOM N NZ . LYS W 19 305 ? -19.742 46.334 -18.824 1.00 64.10 ? 323 LYS c NZ 1 ? ? +35779 ATOM C C . LYS W 19 305 ? -19.477 43.758 -25.715 1.00 62.83 ? 323 LYS c C 1 ? ? +35780 ATOM O O . LYS W 19 305 ? -19.792 44.733 -26.389 1.00 63.54 ? 323 LYS c O 1 ? ? +35781 ATOM N N . LEU W 19 306 ? -18.442 42.959 -26.018 1.00 62.09 ? 324 LEU c N 1 ? ? +35782 ATOM C CA . LEU W 19 306 ? -17.687 43.115 -27.253 1.00 62.07 ? 324 LEU c CA 1 ? ? +35783 ATOM C CB . LEU W 19 306 ? -16.304 42.476 -27.102 1.00 61.26 ? 324 LEU c CB 1 ? ? +35784 ATOM C CG . LEU W 19 306 ? -15.326 43.126 -26.115 1.00 61.17 ? 324 LEU c CG 1 ? ? +35785 ATOM C CD1 . LEU W 19 306 ? -14.058 42.315 -26.018 1.00 60.29 ? 324 LEU c CD1 1 ? ? +35786 ATOM C CD2 . LEU W 19 306 ? -15.015 44.572 -26.497 1.00 61.89 ? 324 LEU c CD2 1 ? ? +35787 ATOM C C . LEU W 19 306 ? -18.379 42.509 -28.477 1.00 62.19 ? 324 LEU c C 1 ? ? +35788 ATOM O O . LEU W 19 306 ? -17.905 42.685 -29.596 1.00 62.25 ? 324 LEU c O 1 ? ? +35789 ATOM N N . GLY W 19 307 ? -19.491 41.787 -28.263 1.00 62.22 ? 325 GLY c N 1 ? ? +35790 ATOM C CA . GLY W 19 307 ? -20.319 41.273 -29.346 1.00 62.41 ? 325 GLY c CA 1 ? ? +35791 ATOM C C . GLY W 19 307 ? -20.324 39.753 -29.517 1.00 61.69 ? 325 GLY c C 1 ? ? +35792 ATOM O O . GLY W 19 307 ? -20.865 39.237 -30.490 1.00 61.84 ? 325 GLY c O 1 ? ? +35793 ATOM N N . ALA W 19 308 ? -19.721 39.023 -28.580 1.00 60.96 ? 326 ALA c N 1 ? ? +35794 ATOM C CA . ALA W 19 308 ? -19.739 37.574 -28.655 1.00 60.25 ? 326 ALA c CA 1 ? ? +35795 ATOM C CB . ALA W 19 308 ? -18.679 36.981 -27.751 1.00 59.48 ? 326 ALA c CB 1 ? ? +35796 ATOM C C . ALA W 19 308 ? -21.118 37.039 -28.279 1.00 60.43 ? 326 ALA c C 1 ? ? +35797 ATOM O O . ALA W 19 308 ? -21.758 37.552 -27.371 1.00 60.82 ? 326 ALA c O 1 ? ? +35798 ATOM N N . ASN W 19 309 ? -21.569 36.018 -29.014 1.00 60.21 ? 327 ASN c N 1 ? ? +35799 ATOM C CA . ASN W 19 309 ? -22.701 35.203 -28.609 1.00 60.24 ? 327 ASN c CA 1 ? ? +35800 ATOM C CB . ASN W 19 309 ? -23.468 34.633 -29.789 1.00 60.46 ? 327 ASN c CB 1 ? ? +35801 ATOM C CG . ASN W 19 309 ? -24.079 35.709 -30.633 1.00 61.34 ? 327 ASN c CG 1 ? ? +35802 ATOM O OD1 . ASN W 19 309 ? -24.461 36.778 -30.150 1.00 61.99 ? 327 ASN c OD1 1 ? ? +35803 ATOM N ND2 . ASN W 19 309 ? -24.140 35.485 -31.915 1.00 61.46 ? 327 ASN c ND2 1 ? ? +35804 ATOM C C . ASN W 19 309 ? -22.166 34.086 -27.730 1.00 59.36 ? 327 ASN c C 1 ? ? +35805 ATOM O O . ASN W 19 309 ? -21.650 33.087 -28.219 1.00 58.82 ? 327 ASN c O 1 ? ? +35806 ATOM N N . VAL W 19 310 ? -22.295 34.278 -26.421 1.00 59.34 ? 328 VAL c N 1 ? ? +35807 ATOM C CA . VAL W 19 310 ? -21.686 33.377 -25.461 1.00 58.60 ? 328 VAL c CA 1 ? ? +35808 ATOM C CB . VAL W 19 310 ? -21.662 34.054 -24.087 1.00 58.77 ? 328 VAL c CB 1 ? ? +35809 ATOM C CG1 . VAL W 19 310 ? -20.757 35.278 -24.129 1.00 58.94 ? 328 VAL c CG1 1 ? ? +35810 ATOM C CG2 . VAL W 19 310 ? -23.065 34.418 -23.605 1.00 59.47 ? 328 VAL c CG2 1 ? ? +35811 ATOM C C . VAL W 19 310 ? -22.340 31.997 -25.420 1.00 58.27 ? 328 VAL c C 1 ? ? +35812 ATOM O O . VAL W 19 310 ? -21.697 31.020 -25.051 1.00 57.63 ? 328 VAL c O 1 ? ? +35813 ATOM N N . GLY W 19 311 ? -23.613 31.918 -25.807 1.00 58.76 ? 329 GLY c N 1 ? ? +35814 ATOM C CA . GLY W 19 311 ? -24.331 30.655 -25.793 1.00 58.50 ? 329 GLY c CA 1 ? ? +35815 ATOM C C . GLY W 19 311 ? -23.832 29.658 -26.831 1.00 57.87 ? 329 GLY c C 1 ? ? +35816 ATOM O O . GLY W 19 311 ? -23.844 28.459 -26.588 1.00 57.38 ? 329 GLY c O 1 ? ? +35817 ATOM N N . SER W 19 312 ? -23.414 30.170 -27.993 1.00 57.95 ? 330 SER c N 1 ? ? +35818 ATOM C CA . SER W 19 312 ? -23.010 29.338 -29.114 1.00 57.50 ? 330 SER c CA 1 ? ? +35819 ATOM C CB . SER W 19 312 ? -23.673 29.811 -30.398 1.00 58.08 ? 330 SER c CB 1 ? ? +35820 ATOM O OG . SER W 19 312 ? -23.569 31.214 -30.516 1.00 58.60 ? 330 SER c OG 1 ? ? +35821 ATOM C C . SER W 19 312 ? -21.503 29.300 -29.338 1.00 56.86 ? 330 SER c C 1 ? ? +35822 ATOM O O . SER W 19 312 ? -21.058 28.696 -30.307 1.00 56.57 ? 330 SER c O 1 ? ? +35823 ATOM N N . ALA W 19 313 ? -20.724 29.939 -28.456 1.00 56.71 ? 331 ALA c N 1 ? ? +35824 ATOM C CA . ALA W 19 313 ? -19.273 29.957 -28.596 1.00 56.13 ? 331 ALA c CA 1 ? ? +35825 ATOM C CB . ALA W 19 313 ? -18.650 31.080 -27.793 1.00 56.27 ? 331 ALA c CB 1 ? ? +35826 ATOM C C . ALA W 19 313 ? -18.687 28.617 -28.168 1.00 55.32 ? 331 ALA c C 1 ? ? +35827 ATOM O O . ALA W 19 313 ? -18.672 28.284 -26.986 1.00 55.08 ? 331 ALA c O 1 ? ? +35828 ATOM N N . GLN W 19 314 ? -18.221 27.855 -29.158 1.00 54.94 ? 332 GLN c N 1 ? ? +35829 ATOM C CA . GLN W 19 314 ? -17.547 26.587 -28.938 1.00 54.20 ? 332 GLN c CA 1 ? ? +35830 ATOM C CB . GLN W 19 314 ? -17.545 25.797 -30.250 1.00 53.96 ? 332 GLN c CB 1 ? ? +35831 ATOM C CG . GLN W 19 314 ? -16.771 24.509 -30.250 1.00 53.16 ? 332 GLN c CG 1 ? ? +35832 ATOM C CD . GLN W 19 314 ? -16.636 23.971 -31.656 1.00 53.04 ? 332 GLN c CD 1 ? ? +35833 ATOM O OE1 . GLN W 19 314 ? -17.057 24.592 -32.638 1.00 53.50 ? 332 GLN c OE1 1 ? ? +35834 ATOM N NE2 . GLN W 19 314 ? -16.016 22.809 -31.794 1.00 52.43 ? 332 GLN c NE2 1 ? ? +35835 ATOM C C . GLN W 19 314 ? -16.115 26.850 -28.485 1.00 53.80 ? 332 GLN c C 1 ? ? +35836 ATOM O O . GLN W 19 314 ? -15.427 27.637 -29.113 1.00 54.00 ? 332 GLN c O 1 ? ? +35837 ATOM N N A GLY W 19 315 ? -15.697 26.184 -27.400 0.40 53.36 ? 333 GLY c N 1 ? ? +35838 ATOM N N B GLY W 19 315 ? -15.695 26.194 -27.398 0.60 53.33 ? 333 GLY c N 1 ? ? +35839 ATOM C CA A GLY W 19 315 ? -14.345 26.290 -26.879 0.40 52.95 ? 333 GLY c CA 1 ? ? +35840 ATOM C CA B GLY W 19 315 ? -14.342 26.313 -26.884 0.60 52.90 ? 333 GLY c CA 1 ? ? +35841 ATOM C C A GLY W 19 315 ? -13.405 25.268 -27.510 0.40 52.36 ? 333 GLY c C 1 ? ? +35842 ATOM C C B GLY W 19 315 ? -13.377 25.335 -27.545 0.60 52.29 ? 333 GLY c C 1 ? ? +35843 ATOM O O A GLY W 19 315 ? -13.850 24.362 -28.210 0.40 52.20 ? 333 GLY c O 1 ? ? +35844 ATOM O O B GLY W 19 315 ? -13.787 24.471 -28.314 0.60 52.14 ? 333 GLY c O 1 ? ? +35845 ATOM N N A PRO W 19 316 ? -12.078 25.389 -27.281 0.40 52.05 ? 334 PRO c N 1 ? ? +35846 ATOM N N B PRO W 19 316 ? -12.059 25.445 -27.264 0.60 51.96 ? 334 PRO c N 1 ? ? +35847 ATOM C CA A PRO W 19 316 ? -11.085 24.512 -27.906 0.40 51.51 ? 334 PRO c CA 1 ? ? +35848 ATOM C CA B PRO W 19 316 ? -11.050 24.572 -27.869 0.60 51.39 ? 334 PRO c CA 1 ? ? +35849 ATOM C C A PRO W 19 316 ? -11.333 23.013 -27.761 0.40 51.07 ? 334 PRO c C 1 ? ? +35850 ATOM C C B PRO W 19 316 ? -11.304 23.070 -27.763 0.60 50.94 ? 334 PRO c C 1 ? ? +35851 ATOM O O A PRO W 19 316 ? -10.980 22.234 -28.643 0.40 50.78 ? 334 PRO c O 1 ? ? +35852 ATOM O O B PRO W 19 316 ? -10.960 22.316 -28.670 0.60 50.66 ? 334 PRO c O 1 ? ? +35853 ATOM C CB A PRO W 19 316 ? -9.793 24.912 -27.190 0.40 51.27 ? 334 PRO c CB 1 ? ? +35854 ATOM C CB B PRO W 19 316 ? -9.779 24.960 -27.108 0.60 51.16 ? 334 PRO c CB 1 ? ? +35855 ATOM C CG A PRO W 19 316 ? -10.012 26.319 -26.792 0.40 51.83 ? 334 PRO c CG 1 ? ? +35856 ATOM C CG B PRO W 19 316 ? -10.005 26.355 -26.693 0.60 51.72 ? 334 PRO c CG 1 ? ? +35857 ATOM C CD A PRO W 19 316 ? -11.461 26.410 -26.422 0.40 52.23 ? 334 PRO c CD 1 ? ? +35858 ATOM C CD B PRO W 19 316 ? -11.464 26.453 -26.373 0.60 52.13 ? 334 PRO c CD 1 ? ? +35859 ATOM N N A THR W 19 317 ? -11.924 22.616 -26.630 0.40 51.07 ? 335 THR c N 1 ? ? +35860 ATOM N N B THR W 19 317 ? -11.885 22.641 -26.639 0.60 50.88 ? 335 THR c N 1 ? ? +35861 ATOM C CA A THR W 19 317 ? -12.182 21.213 -26.350 0.40 50.66 ? 335 THR c CA 1 ? ? +35862 ATOM C CA B THR W 19 317 ? -12.141 21.231 -26.392 0.60 50.46 ? 335 THR c CA 1 ? ? +35863 ATOM C C A THR W 19 317 ? -13.437 20.690 -27.047 0.40 50.91 ? 335 THR c C 1 ? ? +35864 ATOM C C B THR W 19 317 ? -13.389 20.726 -27.116 0.60 50.68 ? 335 THR c C 1 ? ? +35865 ATOM O O A THR W 19 317 ? -13.639 19.481 -27.150 0.40 50.58 ? 335 THR c O 1 ? ? +35866 ATOM O O B THR W 19 317 ? -13.556 19.522 -27.312 0.60 50.35 ? 335 THR c O 1 ? ? +35867 ATOM C CB A THR W 19 317 ? -12.309 21.010 -24.851 0.40 50.59 ? 335 THR c CB 1 ? ? +35868 ATOM C CB B THR W 19 317 ? -12.291 21.004 -24.903 0.60 50.38 ? 335 THR c CB 1 ? ? +35869 ATOM O OG1 A THR W 19 317 ? -13.431 21.779 -24.384 0.40 51.17 ? 335 THR c OG1 1 ? ? +35870 ATOM O OG1 B THR W 19 317 ? -13.457 21.724 -24.465 0.60 50.97 ? 335 THR c OG1 1 ? ? +35871 ATOM C CG2 A THR W 19 317 ? -11.041 21.398 -24.120 0.40 50.32 ? 335 THR c CG2 1 ? ? +35872 ATOM C CG2 B THR W 19 317 ? -11.050 21.429 -24.132 0.60 50.13 ? 335 THR c CG2 1 ? ? +35873 ATOM N N A GLY W 19 318 ? -14.276 21.612 -27.523 0.40 51.49 ? 336 GLY c N 1 ? ? +35874 ATOM N N B GLY W 19 318 ? -14.267 21.658 -27.498 0.60 51.24 ? 336 GLY c N 1 ? ? +35875 ATOM C CA A GLY W 19 318 ? -15.563 21.243 -28.085 0.40 51.85 ? 336 GLY c CA 1 ? ? +35876 ATOM C CA B GLY W 19 318 ? -15.555 21.305 -28.069 0.60 51.58 ? 336 GLY c CA 1 ? ? +35877 ATOM C C A GLY W 19 318 ? -16.720 21.569 -27.145 0.40 52.28 ? 336 GLY c C 1 ? ? +35878 ATOM C C B GLY W 19 318 ? -16.709 21.673 -27.141 0.60 52.00 ? 336 GLY c C 1 ? ? +35879 ATOM O O A GLY W 19 318 ? -17.844 21.763 -27.594 0.40 52.76 ? 336 GLY c O 1 ? ? +35880 ATOM O O B GLY W 19 318 ? -17.803 21.969 -27.607 0.60 52.51 ? 336 GLY c O 1 ? ? +35881 ATOM N N A LEU W 19 319 ? -16.421 21.604 -25.842 0.40 52.11 ? 337 LEU c N 1 ? ? +35882 ATOM N N B LEU W 19 319 ? -16.441 21.638 -25.831 0.60 51.79 ? 337 LEU c N 1 ? ? +35883 ATOM C CA A LEU W 19 319 ? -17.338 22.130 -24.846 0.40 52.56 ? 337 LEU c CA 1 ? ? +35884 ATOM C CA B LEU W 19 319 ? -17.355 22.159 -24.831 0.60 52.22 ? 337 LEU c CA 1 ? ? +35885 ATOM C C A LEU W 19 319 ? -17.470 23.635 -25.038 0.40 53.12 ? 337 LEU c C 1 ? ? +35886 ATOM C C B LEU W 19 319 ? -17.516 23.662 -25.011 0.60 52.78 ? 337 LEU c C 1 ? ? +35887 ATOM O O A LEU W 19 319 ? -16.575 24.273 -25.582 0.40 53.04 ? 337 LEU c O 1 ? ? +35888 ATOM O O B LEU W 19 319 ? -16.618 24.323 -25.516 0.60 52.69 ? 337 LEU c O 1 ? ? +35889 ATOM C CB A LEU W 19 319 ? -16.829 21.829 -23.438 0.40 52.23 ? 337 LEU c CB 1 ? ? +35890 ATOM C CB B LEU W 19 319 ? -16.819 21.864 -23.431 0.60 51.87 ? 337 LEU c CB 1 ? ? +35891 ATOM C CG A LEU W 19 319 ? -16.893 20.369 -23.013 0.40 51.79 ? 337 LEU c CG 1 ? ? +35892 ATOM C CG B LEU W 19 319 ? -16.802 20.392 -23.042 0.60 51.39 ? 337 LEU c CG 1 ? ? +35893 ATOM C CD1 A LEU W 19 319 ? -16.106 20.137 -21.735 0.40 51.43 ? 337 LEU c CD1 1 ? ? +35894 ATOM C CD1 B LEU W 19 319 ? -15.929 20.154 -21.816 0.60 50.98 ? 337 LEU c CD1 1 ? ? +35895 ATOM C CD2 A LEU W 19 319 ? -18.341 19.909 -22.827 0.40 52.16 ? 337 LEU c CD2 1 ? ? +35896 ATOM C CD2 B LEU W 19 319 ? -18.233 19.872 -22.795 0.60 51.72 ? 337 LEU c CD2 1 ? ? +35897 ATOM N N A GLY W 19 320 ? -18.602 24.194 -24.602 0.40 53.73 ? 338 GLY c N 1 ? ? +35898 ATOM N N B GLY W 19 320 ? -18.675 24.194 -24.605 0.60 53.37 ? 338 GLY c N 1 ? ? +35899 ATOM C CA A GLY W 19 320 ? -18.803 25.629 -24.672 0.40 54.32 ? 338 GLY c CA 1 ? ? +35900 ATOM C CA B GLY W 19 320 ? -18.864 25.632 -24.570 0.60 53.94 ? 338 GLY c CA 1 ? ? +35901 ATOM C C A GLY W 19 320 ? -17.692 26.370 -23.938 0.40 54.15 ? 338 GLY c C 1 ? ? +35902 ATOM C C B GLY W 19 320 ? -17.700 26.334 -23.873 0.60 53.73 ? 338 GLY c C 1 ? ? +35903 ATOM O O A GLY W 19 320 ? -17.224 25.914 -22.900 0.40 53.77 ? 338 GLY c O 1 ? ? +35904 ATOM O O B GLY W 19 320 ? -17.223 25.876 -22.839 0.60 53.35 ? 338 GLY c O 1 ? ? +35905 ATOM N N A LYS W 19 321 ? -17.275 27.507 -24.502 0.40 54.45 ? 339 LYS c N 1 ? ? +35906 ATOM N N B LYS W 19 321 ? -17.238 27.434 -24.477 0.60 53.99 ? 339 LYS c N 1 ? ? +35907 ATOM C CA A LYS W 19 321 ? -16.243 28.333 -23.902 0.40 54.39 ? 339 LYS c CA 1 ? ? +35908 ATOM C CA B LYS W 19 321 ? -16.194 28.269 -23.909 0.60 53.92 ? 339 LYS c CA 1 ? ? +35909 ATOM C C A LYS W 19 321 ? -16.746 28.985 -22.618 0.40 54.76 ? 339 LYS c C 1 ? ? +35910 ATOM C C B LYS W 19 321 ? -16.654 28.936 -22.616 0.60 54.27 ? 339 LYS c C 1 ? ? +35911 ATOM O O A LYS W 19 321 ? -16.027 29.048 -21.624 0.40 54.48 ? 339 LYS c O 1 ? ? +35912 ATOM O O B LYS W 19 321 ? -15.927 28.949 -21.624 0.60 53.96 ? 339 LYS c O 1 ? ? +35913 ATOM C CB A LYS W 19 321 ? -15.792 29.404 -24.904 0.40 54.72 ? 339 LYS c CB 1 ? ? +35914 ATOM C CB B LYS W 19 321 ? -15.794 29.332 -24.944 0.60 54.26 ? 339 LYS c CB 1 ? ? +35915 ATOM C CG A LYS W 19 321 ? -14.482 30.094 -24.537 0.40 54.56 ? 339 LYS c CG 1 ? ? +35916 ATOM C CG B LYS W 19 321 ? -14.488 30.061 -24.634 0.60 54.11 ? 339 LYS c CG 1 ? ? +35917 ATOM C CD A LYS W 19 321 ? -14.075 31.134 -25.564 0.40 54.92 ? 339 LYS c CD 1 ? ? +35918 ATOM C CD B LYS W 19 321 ? -14.120 31.080 -25.707 0.60 54.47 ? 339 LYS c CD 1 ? ? +35919 ATOM C CE A LYS W 19 321 ? -13.712 30.516 -26.882 0.40 54.63 ? 339 LYS c CE 1 ? ? +35920 ATOM C CE B LYS W 19 321 ? -13.747 30.429 -27.014 0.60 54.17 ? 339 LYS c CE 1 ? ? +35921 ATOM N NZ A LYS W 19 321 ? -13.467 31.544 -27.916 0.40 55.09 ? 339 LYS c NZ 1 ? ? +35922 ATOM N NZ B LYS W 19 321 ? -13.339 31.432 -28.018 0.60 54.55 ? 339 LYS c NZ 1 ? ? +35923 ATOM N N A TYR W 19 322 ? -17.998 29.458 -22.657 0.40 55.40 ? 340 TYR c N 1 ? ? +35924 ATOM N N B TYR W 19 322 ? -17.874 29.490 -22.659 0.60 54.95 ? 340 TYR c N 1 ? ? +35925 ATOM C CA A TYR W 19 322 ? -18.600 30.169 -21.544 0.40 55.88 ? 340 TYR c CA 1 ? ? +35926 ATOM C CA B TYR W 19 322 ? -18.477 30.213 -21.552 0.60 55.43 ? 340 TYR c CA 1 ? ? +35927 ATOM C C A TYR W 19 322 ? -19.657 29.335 -20.824 0.40 55.87 ? 340 TYR c C 1 ? ? +35928 ATOM C C B TYR W 19 322 ? -19.525 29.395 -20.802 0.60 55.43 ? 340 TYR c C 1 ? ? +35929 ATOM O O A TYR W 19 322 ? -19.739 29.371 -19.600 0.40 55.90 ? 340 TYR c O 1 ? ? +35930 ATOM O O B TYR W 19 322 ? -19.574 29.457 -19.579 0.60 55.46 ? 340 TYR c O 1 ? ? +35931 ATOM C CB A TYR W 19 322 ? -19.248 31.463 -22.041 0.40 56.71 ? 340 TYR c CB 1 ? ? +35932 ATOM C CB B TYR W 19 322 ? -19.173 31.472 -22.069 0.60 56.29 ? 340 TYR c CB 1 ? ? +35933 ATOM C CG A TYR W 19 322 ? -18.332 32.332 -22.867 0.40 56.81 ? 340 TYR c CG 1 ? ? +35934 ATOM C CG B TYR W 19 322 ? -18.293 32.368 -22.900 0.60 56.42 ? 340 TYR c CG 1 ? ? +35935 ATOM C CD1 A TYR W 19 322 ? -17.476 33.242 -22.268 0.40 56.88 ? 340 TYR c CD1 1 ? ? +35936 ATOM C CD1 B TYR W 19 322 ? -17.476 33.315 -22.305 0.60 56.53 ? 340 TYR c CD1 1 ? ? +35937 ATOM C CD2 A TYR W 19 322 ? -18.335 32.257 -24.249 0.40 56.87 ? 340 TYR c CD2 1 ? ? +35938 ATOM C CD2 B TYR W 19 322 ? -18.274 32.268 -24.283 0.60 56.47 ? 340 TYR c CD2 1 ? ? +35939 ATOM C CE1 A TYR W 19 322 ? -16.639 34.050 -23.023 0.40 57.00 ? 340 TYR c CE1 1 ? ? +35940 ATOM C CE1 B TYR W 19 322 ? -16.668 34.151 -23.065 0.60 56.67 ? 340 TYR c CE1 1 ? ? +35941 ATOM C CE2 A TYR W 19 322 ? -17.502 33.060 -25.017 0.40 56.98 ? 340 TYR c CE2 1 ? ? +35942 ATOM C CE2 B TYR W 19 322 ? -17.467 33.093 -25.054 0.60 56.61 ? 340 TYR c CE2 1 ? ? +35943 ATOM C CZ A TYR W 19 322 ? -16.656 33.961 -24.399 0.40 57.04 ? 340 TYR c CZ 1 ? ? +35944 ATOM C CZ B TYR W 19 322 ? -16.661 34.034 -24.439 0.60 56.70 ? 340 TYR c CZ 1 ? ? +35945 ATOM O OH A TYR W 19 322 ? -15.824 34.755 -25.147 0.40 57.17 ? 340 TYR c OH 1 ? ? +35946 ATOM O OH B TYR W 19 322 ? -15.858 34.851 -25.187 0.60 56.86 ? 340 TYR c OH 1 ? ? +35947 ATOM N N A LEU W 19 323 ? -20.471 28.606 -21.597 0.40 55.86 ? 341 LEU c N 1 ? ? +35948 ATOM N N B LEU W 19 323 ? -20.378 28.679 -21.552 0.60 55.45 ? 341 LEU c N 1 ? ? +35949 ATOM C CA A LEU W 19 323 ? -21.577 27.837 -21.053 0.40 55.96 ? 341 LEU c CA 1 ? ? +35950 ATOM C CA B LEU W 19 323 ? -21.488 27.924 -20.994 0.60 55.54 ? 341 LEU c CA 1 ? ? +35951 ATOM C C A LEU W 19 323 ? -21.554 26.389 -21.531 0.40 55.35 ? 341 LEU c C 1 ? ? +35952 ATOM C C B LEU W 19 323 ? -21.524 26.485 -21.501 0.60 54.97 ? 341 LEU c C 1 ? ? +35953 ATOM O O A LEU W 19 323 ? -21.236 26.122 -22.682 0.40 55.15 ? 341 LEU c O 1 ? ? +35954 ATOM O O B LEU W 19 323 ? -21.325 26.254 -22.683 0.60 54.83 ? 341 LEU c O 1 ? ? +35955 ATOM C CB A LEU W 19 323 ? -22.897 28.482 -21.483 0.40 56.80 ? 341 LEU c CB 1 ? ? +35956 ATOM C CB B LEU W 19 323 ? -22.799 28.608 -21.394 0.60 56.41 ? 341 LEU c CB 1 ? ? +35957 ATOM C CG A LEU W 19 323 ? -23.131 29.901 -21.007 0.40 57.45 ? 341 LEU c CG 1 ? ? +35958 ATOM C CG B LEU W 19 323 ? -23.023 30.014 -20.869 0.60 57.04 ? 341 LEU c CG 1 ? ? +35959 ATOM C CD1 A LEU W 19 323 ? -24.363 30.476 -21.639 0.40 58.24 ? 341 LEU c CD1 1 ? ? +35960 ATOM C CD1 B LEU W 19 323 ? -24.260 30.626 -21.475 0.60 57.84 ? 341 LEU c CD1 1 ? ? +35961 ATOM C CD2 A LEU W 19 323 ? -23.260 29.964 -19.494 0.40 57.52 ? 341 LEU c CD2 1 ? ? +35962 ATOM C CD2 B LEU W 19 323 ? -23.162 30.027 -19.359 0.60 57.09 ? 341 LEU c CD2 1 ? ? +35963 ATOM N N A MET W 19 324 ? -21.908 25.462 -20.636 0.40 55.11 ? 342 MET c N 1 ? ? +35964 ATOM N N B MET W 19 324 ? -21.807 25.531 -20.605 0.60 54.70 ? 342 MET c N 1 ? ? +35965 ATOM C CA A MET W 19 324 ? -22.017 24.051 -20.971 0.40 54.66 ? 342 MET c CA 1 ? ? +35966 ATOM C CA B MET W 19 324 ? -21.950 24.125 -20.960 0.60 54.28 ? 342 MET c CA 1 ? ? +35967 ATOM C C A MET W 19 324 ? -23.107 23.409 -20.114 0.40 54.90 ? 342 MET c C 1 ? ? +35968 ATOM C C B MET W 19 324 ? -23.070 23.503 -20.123 0.60 54.55 ? 342 MET c C 1 ? ? +35969 ATOM O O A MET W 19 324 ? -23.795 24.093 -19.360 0.40 55.42 ? 342 MET c O 1 ? ? +35970 ATOM O O B MET W 19 324 ? -23.758 24.202 -19.385 0.60 55.10 ? 342 MET c O 1 ? ? +35971 ATOM C CB A MET W 19 324 ? -20.669 23.322 -20.744 0.40 53.85 ? 342 MET c CB 1 ? ? +35972 ATOM C CB B MET W 19 324 ? -20.608 23.356 -20.740 0.60 53.46 ? 342 MET c CB 1 ? ? +35973 ATOM C CG A MET W 19 324 ? -20.064 23.586 -19.386 0.40 53.68 ? 342 MET c CG 1 ? ? +35974 ATOM C CG B MET W 19 324 ? -20.024 23.515 -19.349 0.60 53.26 ? 342 MET c CG 1 ? ? +35975 ATOM S SD A MET W 19 324 ? -18.485 22.721 -19.082 0.40 52.80 ? 342 MET c SD 1 ? ? +35976 ATOM S SD B MET W 19 324 ? -18.422 22.666 -19.074 0.60 52.37 ? 342 MET c SD 1 ? ? +35977 ATOM C CE A MET W 19 324 ? -18.986 21.027 -19.152 0.40 52.44 ? 342 MET c CE 1 ? ? +35978 ATOM C CE B MET W 19 324 ? -18.889 20.966 -19.096 0.60 51.98 ? 342 MET c CE 1 ? ? +35979 ATOM N N A ARG W 19 325 ? -23.254 22.086 -20.225 0.40 54.52 ? 343 ARG c N 1 ? ? +35980 ATOM N N B ARG W 19 325 ? -23.259 22.184 -20.245 0.60 54.23 ? 343 ARG c N 1 ? ? +35981 ATOM C CA A ARG W 19 325 ? -24.188 21.351 -19.389 0.40 54.70 ? 343 ARG c CA 1 ? ? +35982 ATOM C CA B ARG W 19 325 ? -24.173 21.453 -19.380 0.60 54.40 ? 343 ARG c CA 1 ? ? +35983 ATOM C C A ARG W 19 325 ? -23.462 20.600 -18.273 0.40 54.14 ? 343 ARG c C 1 ? ? +35984 ATOM C C B ARG W 19 325 ? -23.414 20.686 -18.295 0.60 53.87 ? 343 ARG c C 1 ? ? +35985 ATOM O O A ARG W 19 325 ? -22.332 20.144 -18.447 0.40 53.49 ? 343 ARG c O 1 ? ? +35986 ATOM O O B ARG W 19 325 ? -22.250 20.322 -18.476 0.60 53.22 ? 343 ARG c O 1 ? ? +35987 ATOM C CB A ARG W 19 325 ? -25.010 20.366 -20.235 0.40 54.78 ? 343 ARG c CB 1 ? ? +35988 ATOM C CB B ARG W 19 325 ? -25.033 20.473 -20.199 0.60 54.49 ? 343 ARG c CB 1 ? ? +35989 ATOM C CG A ARG W 19 325 ? -25.964 21.037 -21.206 0.40 55.43 ? 343 ARG c CG 1 ? ? +35990 ATOM C CG B ARG W 19 325 ? -26.062 21.134 -21.100 0.60 55.16 ? 343 ARG c CG 1 ? ? +35991 ATOM C CD A ARG W 19 325 ? -26.880 20.002 -21.838 0.40 55.57 ? 343 ARG c CD 1 ? ? +35992 ATOM C CD B ARG W 19 325 ? -26.862 20.089 -21.841 0.60 55.25 ? 343 ARG c CD 1 ? ? +35993 ATOM N NE A ARG W 19 325 ? -27.823 20.554 -22.805 0.40 56.24 ? 343 ARG c NE 1 ? ? +35994 ATOM N NE B ARG W 19 325 ? -27.806 20.660 -22.797 0.60 55.91 ? 343 ARG c NE 1 ? ? +35995 ATOM C CZ A ARG W 19 325 ? -29.002 21.088 -22.509 0.40 56.97 ? 343 ARG c CZ 1 ? ? +35996 ATOM C CZ B ARG W 19 325 ? -28.953 21.252 -22.482 0.60 56.64 ? 343 ARG c CZ 1 ? ? +35997 ATOM N NH1 A ARG W 19 325 ? -29.414 21.216 -21.259 0.40 57.19 ? 343 ARG c NH1 1 ? ? +35998 ATOM N NH1 B ARG W 19 325 ? -29.423 21.246 -21.247 0.60 56.86 ? 343 ARG c NH1 1 ? ? +35999 ATOM N NH2 A ARG W 19 325 ? -29.771 21.535 -23.495 0.40 57.55 ? 343 ARG c NH2 1 ? ? +36000 ATOM N NH2 B ARG W 19 325 ? -29.651 21.856 -23.438 0.60 57.22 ? 343 ARG c NH2 1 ? ? +36001 ATOM N N A SER W 19 326 ? -24.123 20.500 -17.114 0.40 54.42 ? 344 SER c N 1 ? ? +36002 ATOM N N B SER W 19 326 ? -24.094 20.466 -17.161 0.60 54.15 ? 344 SER c N 1 ? ? +36003 ATOM C CA A SER W 19 326 ? -23.668 19.626 -16.049 0.40 53.97 ? 344 SER c CA 1 ? ? +36004 ATOM C CA B SER W 19 326 ? -23.623 19.564 -16.124 0.60 53.70 ? 344 SER c CA 1 ? ? +36005 ATOM C C A SER W 19 326 ? -24.041 18.205 -16.452 0.40 53.72 ? 344 SER c C 1 ? ? +36006 ATOM C C B SER W 19 326 ? -23.995 18.134 -16.501 0.60 53.50 ? 344 SER c C 1 ? ? +36007 ATOM O O A SER W 19 326 ? -24.776 18.012 -17.415 0.40 53.95 ? 344 SER c O 1 ? ? +36008 ATOM O O B SER W 19 326 ? -24.720 17.915 -17.465 0.60 53.71 ? 344 SER c O 1 ? ? +36009 ATOM C CB A SER W 19 326 ? -24.299 19.983 -14.714 0.40 54.43 ? 344 SER c CB 1 ? ? +36010 ATOM C CB B SER W 19 326 ? -24.234 19.902 -14.777 0.60 54.15 ? 344 SER c CB 1 ? ? +36011 ATOM O OG A SER W 19 326 ? -25.595 19.421 -14.612 0.40 54.90 ? 344 SER c OG 1 ? ? +36012 ATOM O OG B SER W 19 326 ? -25.466 19.217 -14.612 0.60 54.56 ? 344 SER c OG 1 ? ? +36013 ATOM N N A PRO W 19 327 ? -23.535 17.167 -15.751 0.40 53.26 ? 345 PRO c N 1 ? ? +36014 ATOM N N B PRO W 19 327 ? -23.507 17.109 -15.767 0.60 53.09 ? 345 PRO c N 1 ? ? +36015 ATOM C CA A PRO W 19 327 ? -23.850 15.784 -16.107 0.40 53.04 ? 345 PRO c CA 1 ? ? +36016 ATOM C CA B PRO W 19 327 ? -23.853 15.720 -16.073 0.60 52.92 ? 345 PRO c CA 1 ? ? +36017 ATOM C C A PRO W 19 327 ? -25.342 15.448 -16.048 0.40 53.67 ? 345 PRO c C 1 ? ? +36018 ATOM C C B PRO W 19 327 ? -25.338 15.368 -15.938 0.60 53.59 ? 345 PRO c C 1 ? ? +36019 ATOM O O A PRO W 19 327 ? -25.772 14.473 -16.658 0.40 53.60 ? 345 PRO c O 1 ? ? +36020 ATOM O O B PRO W 19 327 ? -25.755 14.304 -16.389 0.60 53.49 ? 345 PRO c O 1 ? ? +36021 ATOM C CB A PRO W 19 327 ? -23.015 14.974 -15.102 0.40 52.52 ? 345 PRO c CB 1 ? ? +36022 ATOM C CB B PRO W 19 327 ? -22.985 14.932 -15.085 0.60 52.37 ? 345 PRO c CB 1 ? ? +36023 ATOM C CG A PRO W 19 327 ? -21.946 15.928 -14.625 0.40 52.31 ? 345 PRO c CG 1 ? ? +36024 ATOM C CG B PRO W 19 327 ? -21.904 15.880 -14.677 0.60 52.15 ? 345 PRO c CG 1 ? ? +36025 ATOM C CD A PRO W 19 327 ? -22.591 17.266 -14.625 0.40 52.92 ? 345 PRO c CD 1 ? ? +36026 ATOM C CD B PRO W 19 327 ? -22.535 17.213 -14.666 0.60 52.75 ? 345 PRO c CD 1 ? ? +36027 ATOM N N . THR W 19 328 ? -26.125 16.253 -15.313 1.00 54.29 ? 346 THR c N 1 ? ? +36028 ATOM C CA . THR W 19 328 ? -27.577 16.107 -15.283 1.00 55.11 ? 346 THR c CA 1 ? ? +36029 ATOM C CB . THR W 19 328 ? -28.087 16.129 -13.835 1.00 55.47 ? 346 THR c CB 1 ? ? +36030 ATOM O OG1 . THR W 19 328 ? -27.574 17.268 -13.158 1.00 55.57 ? 346 THR c OG1 1 ? ? +36031 ATOM C CG2 . THR W 19 328 ? -27.695 14.884 -13.067 1.00 55.04 ? 346 THR c CG2 1 ? ? +36032 ATOM C C . THR W 19 328 ? -28.308 17.135 -16.151 1.00 55.80 ? 346 THR c C 1 ? ? +36033 ATOM O O . THR W 19 328 ? -29.535 17.209 -16.127 1.00 56.64 ? 346 THR c O 1 ? ? +36034 ATOM N N . GLY W 19 329 ? -27.549 17.918 -16.928 1.00 55.62 ? 347 GLY c N 1 ? ? +36035 ATOM C CA . GLY W 19 329 ? -28.104 18.714 -18.009 1.00 56.10 ? 347 GLY c CA 1 ? ? +36036 ATOM C C . GLY W 19 329 ? -28.306 20.202 -17.747 1.00 56.62 ? 347 GLY c C 1 ? ? +36037 ATOM O O . GLY W 19 329 ? -28.636 20.939 -18.666 1.00 56.96 ? 347 GLY c O 1 ? ? +36038 ATOM N N . GLU W 19 330 ? -28.107 20.646 -16.506 1.00 56.72 ? 348 GLU c N 1 ? ? +36039 ATOM C CA . GLU W 19 330 ? -28.267 22.054 -16.180 1.00 57.31 ? 348 GLU c CA 1 ? ? +36040 ATOM C CB . GLU W 19 330 ? -28.128 22.302 -14.672 1.00 57.44 ? 348 GLU c CB 1 ? ? +36041 ATOM C CG . GLU W 19 330 ? -29.216 21.657 -13.826 1.00 57.89 ? 348 GLU c CG 1 ? ? +36042 ATOM C CD . GLU W 19 330 ? -29.040 20.174 -13.566 1.00 57.44 ? 348 GLU c CD 1 ? ? +36043 ATOM O OE1 . GLU W 19 330 ? -27.994 19.608 -13.967 1.00 56.70 ? 348 GLU c OE1 1 ? ? +36044 ATOM O OE2 . GLU W 19 330 ? -29.955 19.575 -12.957 1.00 57.86 ? 348 GLU c OE2 1 ? ? +36045 ATOM C C . GLU W 19 330 ? -27.232 22.896 -16.917 1.00 57.03 ? 348 GLU c C 1 ? ? +36046 ATOM O O . GLU W 19 330 ? -26.081 22.469 -17.050 1.00 56.35 ? 348 GLU c O 1 ? ? +36047 ATOM N N . ILE W 19 331 ? -27.648 24.086 -17.373 1.00 57.55 ? 349 ILE c N 1 ? ? +36048 ATOM C CA . ILE W 19 331 ? -26.745 25.030 -18.009 1.00 57.44 ? 349 ILE c CA 1 ? ? +36049 ATOM C CB . ILE W 19 331 ? -27.492 26.088 -18.856 1.00 58.21 ? 349 ILE c CB 1 ? ? +36050 ATOM C CG1 . ILE W 19 331 ? -28.420 25.476 -19.939 1.00 58.52 ? 349 ILE c CG1 1 ? ? +36051 ATOM C CG2 . ILE W 19 331 ? -26.520 27.082 -19.473 1.00 58.10 ? 349 ILE c CG2 1 ? ? +36052 ATOM C CD1 . ILE W 19 331 ? -27.812 24.468 -20.773 1.00 57.90 ? 349 ILE c CD1 1 ? ? +36053 ATOM C C . ILE W 19 331 ? -25.869 25.679 -16.936 1.00 57.25 ? 349 ILE c C 1 ? ? +36054 ATOM O O . ILE W 19 331 ? -26.373 26.275 -15.984 1.00 57.66 ? 349 ILE c O 1 ? ? +36055 ATOM N N A ILE W 19 332 ? -24.548 25.552 -17.110 0.40 56.65 ? 350 ILE c N 1 ? ? +36056 ATOM N N B ILE W 19 332 ? -24.546 25.545 -17.108 0.60 56.56 ? 350 ILE c N 1 ? ? +36057 ATOM C CA A ILE W 19 332 ? -23.572 26.016 -16.137 0.40 56.43 ? 350 ILE c CA 1 ? ? +36058 ATOM C CA B ILE W 19 332 ? -23.565 26.015 -16.142 0.60 56.29 ? 350 ILE c CA 1 ? ? +36059 ATOM C C A ILE W 19 332 ? -22.430 26.746 -16.833 0.40 56.26 ? 350 ILE c C 1 ? ? +36060 ATOM C C B ILE W 19 332 ? -22.415 26.729 -16.844 0.60 56.05 ? 350 ILE c C 1 ? ? +36061 ATOM O O A ILE W 19 332 ? -22.280 26.665 -18.048 0.40 56.14 ? 350 ILE c O 1 ? ? +36062 ATOM O O B ILE W 19 332 ? -22.263 26.618 -18.056 0.60 55.91 ? 350 ILE c O 1 ? ? +36063 ATOM C CB A ILE W 19 332 ? -23.014 24.834 -15.329 0.40 55.80 ? 350 ILE c CB 1 ? ? +36064 ATOM C CB B ILE W 19 332 ? -23.024 24.835 -15.327 0.60 55.66 ? 350 ILE c CB 1 ? ? +36065 ATOM C CG1 A ILE W 19 332 ? -22.192 23.903 -16.240 0.40 55.11 ? 350 ILE c CG1 1 ? ? +36066 ATOM C CG1 B ILE W 19 332 ? -22.236 23.861 -16.231 0.60 54.96 ? 350 ILE c CG1 1 ? ? +36067 ATOM C CG2 A ILE W 19 332 ? -24.119 24.087 -14.601 0.40 56.09 ? 350 ILE c CG2 1 ? ? +36068 ATOM C CG2 B ILE W 19 332 ? -24.141 24.133 -14.584 0.60 55.97 ? 350 ILE c CG2 1 ? ? +36069 ATOM C CD1 A ILE W 19 332 ? -21.463 22.839 -15.524 0.40 54.49 ? 350 ILE c CD1 1 ? ? +36070 ATOM C CD1 B ILE W 19 332 ? -21.493 22.824 -15.505 0.60 54.35 ? 350 ILE c CD1 1 ? ? +36071 ATOM N N A PHE W 19 333 ? -21.613 27.443 -16.041 0.40 56.30 ? 351 PHE c N 1 ? ? +36072 ATOM N N B PHE W 19 333 ? -21.597 27.435 -16.057 0.60 56.03 ? 351 PHE c N 1 ? ? +36073 ATOM C CA A PHE W 19 333 ? -20.410 28.075 -16.552 0.40 56.11 ? 351 PHE c CA 1 ? ? +36074 ATOM C CA B PHE W 19 333 ? -20.391 28.070 -16.562 0.60 55.79 ? 351 PHE c CA 1 ? ? +36075 ATOM C C A PHE W 19 333 ? -19.399 27.025 -16.990 0.40 55.41 ? 351 PHE c C 1 ? ? +36076 ATOM C C B PHE W 19 333 ? -19.372 27.028 -17.005 0.60 55.04 ? 351 PHE c C 1 ? ? +36077 ATOM O O A PHE W 19 333 ? -19.272 25.984 -16.353 0.40 55.01 ? 351 PHE c O 1 ? ? +36078 ATOM O O B PHE W 19 333 ? -19.234 25.997 -16.357 0.60 54.63 ? 351 PHE c O 1 ? ? +36079 ATOM C CB A PHE W 19 333 ? -19.773 28.980 -15.504 0.40 56.22 ? 351 PHE c CB 1 ? ? +36080 ATOM C CB B PHE W 19 333 ? -19.736 28.964 -15.508 0.60 55.90 ? 351 PHE c CB 1 ? ? +36081 ATOM C CG A PHE W 19 333 ? -20.530 30.253 -15.265 0.40 57.00 ? 351 PHE c CG 1 ? ? +36082 ATOM C CG B PHE W 19 333 ? -20.447 30.258 -15.241 0.60 56.65 ? 351 PHE c CG 1 ? ? +36083 ATOM C CD1 A PHE W 19 333 ? -20.951 31.033 -16.322 0.40 57.45 ? 351 PHE c CD1 1 ? ? +36084 ATOM C CD1 B PHE W 19 333 ? -20.839 31.079 -16.283 0.60 57.11 ? 351 PHE c CD1 1 ? ? +36085 ATOM C CD2 A PHE W 19 333 ? -20.805 30.681 -13.982 0.40 57.33 ? 351 PHE c CD2 1 ? ? +36086 ATOM C CD2 B PHE W 19 333 ? -20.689 30.677 -13.946 0.60 56.97 ? 351 PHE c CD2 1 ? ? +36087 ATOM C CE1 A PHE W 19 333 ? -21.646 32.211 -16.100 0.40 58.20 ? 351 PHE c CE1 1 ? ? +36088 ATOM C CE1 B PHE W 19 333 ? -21.489 32.280 -16.031 0.60 57.87 ? 351 PHE c CE1 1 ? ? +36089 ATOM C CE2 A PHE W 19 333 ? -21.498 31.859 -13.764 0.40 58.07 ? 351 PHE c CE2 1 ? ? +36090 ATOM C CE2 B PHE W 19 333 ? -21.333 31.878 -13.700 0.60 57.70 ? 351 PHE c CE2 1 ? ? +36091 ATOM C CZ A PHE W 19 333 ? -21.915 32.616 -14.824 0.40 58.50 ? 351 PHE c CZ 1 ? ? +36092 ATOM C CZ B PHE W 19 333 ? -21.732 32.670 -14.743 0.60 58.15 ? 351 PHE c CZ 1 ? ? +36093 ATOM N N A GLY W 19 334 ? -18.682 27.333 -18.075 0.40 55.36 ? 352 GLY c N 1 ? ? +36094 ATOM N N B GLY W 19 334 ? -18.659 27.339 -18.094 0.60 54.93 ? 352 GLY c N 1 ? ? +36095 ATOM C CA A GLY W 19 334 ? -17.697 26.434 -18.650 0.40 54.80 ? 352 GLY c CA 1 ? ? +36096 ATOM C CA B GLY W 19 334 ? -17.682 26.440 -18.685 0.60 54.33 ? 352 GLY c CA 1 ? ? +36097 ATOM C C A GLY W 19 334 ? -16.279 26.743 -18.182 0.40 54.56 ? 352 GLY c C 1 ? ? +36098 ATOM C C B GLY W 19 334 ? -16.271 26.699 -18.168 0.60 54.04 ? 352 GLY c C 1 ? ? +36099 ATOM O O A GLY W 19 334 ? -16.069 27.673 -17.410 0.40 54.83 ? 352 GLY c O 1 ? ? +36100 ATOM O O B GLY W 19 334 ? -16.075 27.555 -17.314 0.60 54.29 ? 352 GLY c O 1 ? ? +36101 ATOM N N A GLY W 19 335 ? -15.315 25.961 -18.674 0.40 54.18 ? 353 GLY c N 1 ? ? +36102 ATOM N N B GLY W 19 335 ? -15.296 25.966 -18.717 0.60 53.63 ? 353 GLY c N 1 ? ? +36103 ATOM C CA A GLY W 19 335 ? -13.954 26.007 -18.168 0.40 53.93 ? 353 GLY c CA 1 ? ? +36104 ATOM C CA B GLY W 19 335 ? -13.933 25.979 -18.208 0.60 53.34 ? 353 GLY c CA 1 ? ? +36105 ATOM C C A GLY W 19 335 ? -13.789 25.087 -16.962 0.40 53.78 ? 353 GLY c C 1 ? ? +36106 ATOM C C B GLY W 19 335 ? -13.787 25.037 -17.015 0.60 53.15 ? 353 GLY c C 1 ? ? +36107 ATOM O O A GLY W 19 335 ? -14.659 24.262 -16.692 0.40 53.79 ? 353 GLY c O 1 ? ? +36108 ATOM O O B GLY W 19 335 ? -14.660 24.204 -16.788 0.60 53.15 ? 353 GLY c O 1 ? ? +36109 ATOM N N A GLU W 19 336 ? -12.676 25.250 -16.234 0.40 53.77 ? 354 GLU c N 1 ? ? +36110 ATOM N N B GLU W 19 336 ? -12.689 25.183 -16.257 0.60 53.10 ? 354 GLU c N 1 ? ? +36111 ATOM C CA A GLU W 19 336 ? -12.377 24.420 -15.078 0.40 53.62 ? 354 GLU c CA 1 ? ? +36112 ATOM C CA B GLU W 19 336 ? -12.436 24.368 -15.075 0.60 52.93 ? 354 GLU c CA 1 ? ? +36113 ATOM C C A GLU W 19 336 ? -13.460 24.546 -14.011 0.40 53.77 ? 354 GLU c C 1 ? ? +36114 ATOM C C B GLU W 19 336 ? -13.507 24.550 -14.005 0.60 53.06 ? 354 GLU c C 1 ? ? +36115 ATOM O O A GLU W 19 336 ? -13.667 23.619 -13.233 0.40 53.55 ? 354 GLU c O 1 ? ? +36116 ATOM O O B GLU W 19 336 ? -13.770 23.627 -13.242 0.60 52.83 ? 354 GLU c O 1 ? ? +36117 ATOM C CB A GLU W 19 336 ? -10.993 24.759 -14.454 0.40 53.81 ? 354 GLU c CB 1 ? ? +36118 ATOM C CB B GLU W 19 336 ? -11.039 24.642 -14.438 0.60 53.09 ? 354 GLU c CB 1 ? ? +36119 ATOM C CG A GLU W 19 336 ? -9.883 23.808 -14.862 0.40 53.60 ? 354 GLU c CG 1 ? ? +36120 ATOM C CG B GLU W 19 336 ? -10.069 23.487 -14.615 0.60 52.89 ? 354 GLU c CG 1 ? ? +36121 ATOM C CD A GLU W 19 336 ? -8.718 23.600 -13.899 0.40 53.82 ? 354 GLU c CD 1 ? ? +36122 ATOM C CD B GLU W 19 336 ? -8.812 23.434 -13.757 0.60 53.16 ? 354 GLU c CD 1 ? ? +36123 ATOM O OE1 A GLU W 19 336 ? -8.456 24.452 -13.012 0.40 54.64 ? 354 GLU c OE1 1 ? ? +36124 ATOM O OE1 B GLU W 19 336 ? -8.487 24.409 -13.032 0.60 53.99 ? 354 GLU c OE1 1 ? ? +36125 ATOM O OE2 A GLU W 19 336 ? -8.053 22.549 -14.046 0.40 53.95 ? 354 GLU c OE2 1 ? ? +36126 ATOM O OE2 B GLU W 19 336 ? -8.137 22.377 -13.805 0.60 53.34 ? 354 GLU c OE2 1 ? ? +36127 ATOM N N A THR W 19 337 ? -14.164 25.685 -13.993 0.40 54.16 ? 355 THR c N 1 ? ? +36128 ATOM N N B THR W 19 337 ? -14.136 25.730 -13.958 0.60 53.42 ? 355 THR c N 1 ? ? +36129 ATOM C CA A THR W 19 337 ? -15.185 25.931 -12.986 0.40 54.45 ? 355 THR c CA 1 ? ? +36130 ATOM C CA B THR W 19 337 ? -15.159 25.992 -12.957 0.60 53.72 ? 355 THR c CA 1 ? ? +36131 ATOM C C A THR W 19 337 ? -16.407 25.026 -13.122 0.40 54.36 ? 355 THR c C 1 ? ? +36132 ATOM C C B THR W 19 337 ? -16.367 25.064 -13.086 0.60 53.62 ? 355 THR c C 1 ? ? +36133 ATOM O O A THR W 19 337 ? -17.313 25.098 -12.298 0.40 54.76 ? 355 THR c O 1 ? ? +36134 ATOM O O B THR W 19 337 ? -17.245 25.099 -12.231 0.60 54.00 ? 355 THR c O 1 ? ? +36135 ATOM C CB A THR W 19 337 ? -15.656 27.393 -12.992 0.40 55.11 ? 355 THR c CB 1 ? ? +36136 ATOM C CB B THR W 19 337 ? -15.628 27.464 -12.972 0.60 54.35 ? 355 THR c CB 1 ? ? +36137 ATOM O OG1 A THR W 19 337 ? -16.200 27.700 -11.713 0.40 55.47 ? 355 THR c OG1 1 ? ? +36138 ATOM O OG1 B THR W 19 337 ? -16.157 27.791 -11.690 0.60 54.71 ? 355 THR c OG1 1 ? ? +36139 ATOM C CG2 A THR W 19 337 ? -16.702 27.677 -14.053 0.40 55.52 ? 355 THR c CG2 1 ? ? +36140 ATOM C CG2 B THR W 19 337 ? -16.691 27.752 -14.035 0.60 54.76 ? 355 THR c CG2 1 ? ? +36141 ATOM N N A MET W 19 338 ? -16.426 24.169 -14.149 0.40 53.82 ? 356 MET c N 1 ? ? +36142 ATOM N N B MET W 19 338 ? -16.405 24.222 -14.128 0.60 53.11 ? 356 MET c N 1 ? ? +36143 ATOM C CA A MET W 19 338 ? -17.506 23.208 -14.304 0.40 53.75 ? 356 MET c CA 1 ? ? +36144 ATOM C CA B MET W 19 338 ? -17.459 23.228 -14.262 0.60 53.04 ? 356 MET c CA 1 ? ? +36145 ATOM C C A MET W 19 338 ? -17.697 22.424 -13.007 0.40 53.58 ? 356 MET c C 1 ? ? +36146 ATOM C C B MET W 19 338 ? -17.667 22.419 -12.981 0.60 52.89 ? 356 MET c C 1 ? ? +36147 ATOM O O A MET W 19 338 ? -18.800 21.979 -12.694 0.40 53.87 ? 356 MET c O 1 ? ? +36148 ATOM O O B MET W 19 338 ? -18.775 21.963 -12.703 0.60 53.17 ? 356 MET c O 1 ? ? +36149 ATOM C CB A MET W 19 338 ? -17.239 22.233 -15.455 0.40 53.24 ? 356 MET c CB 1 ? ? +36150 ATOM C CB B MET W 19 338 ? -17.179 22.265 -15.434 0.60 52.52 ? 356 MET c CB 1 ? ? +36151 ATOM C CG A MET W 19 338 ? -15.939 21.463 -15.324 0.40 52.49 ? 356 MET c CG 1 ? ? +36152 ATOM C CG B MET W 19 338 ? -15.874 21.470 -15.321 0.60 51.76 ? 356 MET c CG 1 ? ? +36153 ATOM S SD A MET W 19 338 ? -15.800 20.190 -16.596 0.40 51.94 ? 356 MET c SD 1 ? ? +36154 ATOM S SD B MET W 19 338 ? -15.763 20.206 -16.609 0.60 51.20 ? 356 MET c SD 1 ? ? +36155 ATOM C CE A MET W 19 338 ? -15.138 21.148 -17.939 0.40 51.96 ? 356 MET c CE 1 ? ? +36156 ATOM C CE B MET W 19 338 ? -15.221 21.189 -17.969 0.60 51.26 ? 356 MET c CE 1 ? ? +36157 ATOM N N A ARG W 19 339 ? -16.605 22.262 -12.254 0.40 53.11 ? 357 ARG c N 1 ? ? +36158 ATOM N N B ARG W 19 339 ? -16.590 22.236 -12.207 0.60 52.45 ? 357 ARG c N 1 ? ? +36159 ATOM C CA A ARG W 19 339 ? -16.630 21.490 -11.023 0.40 52.91 ? 357 ARG c CA 1 ? ? +36160 ATOM C CA B ARG W 19 339 ? -16.656 21.493 -10.958 0.60 52.28 ? 357 ARG c CA 1 ? ? +36161 ATOM C C A ARG W 19 339 ? -17.399 22.179 -9.901 0.40 53.43 ? 357 ARG c C 1 ? ? +36162 ATOM C C B ARG W 19 339 ? -17.451 22.201 -9.868 0.60 52.84 ? 357 ARG c C 1 ? ? +36163 ATOM O O A ARG W 19 339 ? -17.663 21.566 -8.870 0.40 53.44 ? 357 ARG c O 1 ? ? +36164 ATOM O O B ARG W 19 339 ? -17.845 21.568 -8.895 0.60 52.92 ? 357 ARG c O 1 ? ? +36165 ATOM C CB A ARG W 19 339 ? -15.206 21.223 -10.524 0.40 52.36 ? 357 ARG c CB 1 ? ? +36166 ATOM C CB B ARG W 19 339 ? -15.248 21.224 -10.410 0.60 51.74 ? 357 ARG c CB 1 ? ? +36167 ATOM C CG A ARG W 19 339 ? -14.508 22.459 -9.977 0.40 52.53 ? 357 ARG c CG 1 ? ? +36168 ATOM C CG B ARG W 19 339 ? -14.488 22.475 -9.977 0.60 51.87 ? 357 ARG c CG 1 ? ? +36169 ATOM C CD A ARG W 19 339 ? -13.162 22.126 -9.371 0.40 52.08 ? 357 ARG c CD 1 ? ? +36170 ATOM C CD B ARG W 19 339 ? -13.137 22.138 -9.378 0.60 51.40 ? 357 ARG c CD 1 ? ? +36171 ATOM N NE A ARG W 19 339 ? -12.240 21.573 -10.356 0.40 51.52 ? 357 ARG c NE 1 ? ? +36172 ATOM N NE B ARG W 19 339 ? -12.226 21.543 -10.351 0.60 50.83 ? 357 ARG c NE 1 ? ? +36173 ATOM C CZ A ARG W 19 339 ? -10.921 21.619 -10.247 0.40 51.18 ? 357 ARG c CZ 1 ? ? +36174 ATOM C CZ B ARG W 19 339 ? -10.908 21.527 -10.224 0.60 50.47 ? 357 ARG c CZ 1 ? ? +36175 ATOM N NH1 A ARG W 19 339 ? -10.337 22.041 -9.138 0.40 51.28 ? 357 ARG c NH1 1 ? ? +36176 ATOM N NH1 B ARG W 19 339 ? -10.316 21.943 -9.118 0.60 50.59 ? 357 ARG c NH1 1 ? ? +36177 ATOM N NH2 A ARG W 19 339 ? -10.170 21.250 -11.280 0.40 50.76 ? 357 ARG c NH2 1 ? ? +36178 ATOM N NH2 B ARG W 19 339 ? -10.163 21.092 -11.235 0.60 50.05 ? 357 ARG c NH2 1 ? ? +36179 ATOM N N A PHE W 19 340 ? -17.725 23.461 -10.097 0.40 53.86 ? 358 PHE c N 1 ? ? +36180 ATOM N N B PHE W 19 340 ? -17.633 23.516 -10.015 0.60 53.29 ? 358 PHE c N 1 ? ? +36181 ATOM C CA A PHE W 19 340 ? -18.301 24.273 -9.038 0.40 54.41 ? 358 PHE c CA 1 ? ? +36182 ATOM C CA B PHE W 19 340 ? -18.269 24.325 -8.991 0.60 53.88 ? 358 PHE c CA 1 ? ? +36183 ATOM C C A PHE W 19 340 ? -19.747 24.682 -9.307 0.40 55.05 ? 358 PHE c C 1 ? ? +36184 ATOM C C B PHE W 19 340 ? -19.681 24.759 -9.373 0.60 54.53 ? 358 PHE c C 1 ? ? +36185 ATOM O O A PHE W 19 340 ? -20.250 25.619 -8.692 0.40 55.59 ? 358 PHE c O 1 ? ? +36186 ATOM O O B PHE W 19 340 ? -20.140 25.810 -8.933 0.60 55.08 ? 358 PHE c O 1 ? ? +36187 ATOM C CB A PHE W 19 340 ? -17.444 25.533 -8.844 0.40 54.49 ? 358 PHE c CB 1 ? ? +36188 ATOM C CB B PHE W 19 340 ? -17.404 25.566 -8.727 0.60 53.96 ? 358 PHE c CB 1 ? ? +36189 ATOM C CG A PHE W 19 340 ? -16.104 25.315 -8.178 0.40 54.03 ? 358 PHE c CG 1 ? ? +36190 ATOM C CG B PHE W 19 340 ? -16.066 25.309 -8.076 0.60 53.49 ? 358 PHE c CG 1 ? ? +36191 ATOM C CD1 A PHE W 19 340 ? -16.012 24.636 -6.976 0.40 53.91 ? 358 PHE c CD1 1 ? ? +36192 ATOM C CD1 B PHE W 19 340 ? -15.980 24.620 -6.880 0.60 53.37 ? 358 PHE c CD1 1 ? ? +36193 ATOM C CD2 A PHE W 19 340 ? -14.942 25.816 -8.737 0.40 53.74 ? 358 PHE c CD2 1 ? ? +36194 ATOM C CD2 B PHE W 19 340 ? -14.898 25.784 -8.644 0.60 53.20 ? 358 PHE c CD2 1 ? ? +36195 ATOM C CE1 A PHE W 19 340 ? -14.785 24.453 -6.357 0.40 53.52 ? 358 PHE c CE1 1 ? ? +36196 ATOM C CE1 B PHE W 19 340 ? -14.750 24.404 -6.273 0.60 52.96 ? 358 PHE c CE1 1 ? ? +36197 ATOM C CE2 A PHE W 19 340 ? -13.719 25.629 -8.116 0.40 53.36 ? 358 PHE c CE2 1 ? ? +36198 ATOM C CE2 B PHE W 19 340 ? -13.674 25.564 -8.033 0.60 52.81 ? 358 PHE c CE2 1 ? ? +36199 ATOM C CZ A PHE W 19 340 ? -13.647 24.949 -6.930 0.40 53.25 ? 358 PHE c CZ 1 ? ? +36200 ATOM C CZ B PHE W 19 340 ? -13.607 24.882 -6.851 0.60 52.70 ? 358 PHE c CZ 1 ? ? +36201 ATOM N N A TRP W 19 341 ? -20.419 23.972 -10.219 0.40 55.03 ? 359 TRP c N 1 ? ? +36202 ATOM N N B TRP W 19 341 ? -20.377 23.951 -10.182 0.60 54.53 ? 359 TRP c N 1 ? ? +36203 ATOM C CA A TRP W 19 341 ? -21.748 24.376 -10.646 0.40 55.69 ? 359 TRP c CA 1 ? ? +36204 ATOM C CA B TRP W 19 341 ? -21.700 24.336 -10.645 0.60 55.22 ? 359 TRP c CA 1 ? ? +36205 ATOM C C A TRP W 19 341 ? -22.786 24.276 -9.531 0.40 56.22 ? 359 TRP c C 1 ? ? +36206 ATOM C C B TRP W 19 341 ? -22.767 24.262 -9.556 0.60 55.79 ? 359 TRP c C 1 ? ? +36207 ATOM O O A TRP W 19 341 ? -23.876 24.823 -9.659 0.40 56.88 ? 359 TRP c O 1 ? ? +36208 ATOM O O B TRP W 19 341 ? -23.841 24.826 -9.722 0.60 56.46 ? 359 TRP c O 1 ? ? +36209 ATOM C CB A TRP W 19 341 ? -22.215 23.571 -11.865 0.40 55.56 ? 359 TRP c CB 1 ? ? +36210 ATOM C CB B TRP W 19 341 ? -22.156 23.513 -11.850 0.60 55.08 ? 359 TRP c CB 1 ? ? +36211 ATOM C CG A TRP W 19 341 ? -22.546 22.136 -11.595 0.40 55.30 ? 359 TRP c CG 1 ? ? +36212 ATOM C CG B TRP W 19 341 ? -22.509 22.083 -11.577 0.60 54.83 ? 359 TRP c CG 1 ? ? +36213 ATOM C CD1 A TRP W 19 341 ? -21.669 21.109 -11.422 0.40 54.65 ? 359 TRP c CD1 1 ? ? +36214 ATOM C CD1 B TRP W 19 341 ? -21.647 21.039 -11.455 0.60 54.19 ? 359 TRP c CD1 1 ? ? +36215 ATOM C CD2 A TRP W 19 341 ? -23.856 21.572 -11.464 0.40 55.72 ? 359 TRP c CD2 1 ? ? +36216 ATOM C CD2 B TRP W 19 341 ? -23.825 21.542 -11.401 0.60 55.27 ? 359 TRP c CD2 1 ? ? +36217 ATOM N NE1 A TRP W 19 341 ? -22.351 19.940 -11.197 0.40 54.64 ? 359 TRP c NE1 1 ? ? +36218 ATOM N NE1 B TRP W 19 341 ? -22.342 19.880 -11.220 0.60 54.18 ? 359 TRP c NE1 1 ? ? +36219 ATOM C CE2 A TRP W 19 341 ? -23.697 20.197 -11.215 0.40 55.28 ? 359 TRP c CE2 1 ? ? +36220 ATOM C CE2 B TRP W 19 341 ? -23.682 20.159 -11.181 0.60 54.83 ? 359 TRP c CE2 1 ? ? +36221 ATOM C CE3 A TRP W 19 341 ? -25.153 22.100 -11.532 0.40 56.49 ? 359 TRP c CE3 1 ? ? +36222 ATOM C CE3 B TRP W 19 341 ? -25.117 22.092 -11.410 0.60 56.06 ? 359 TRP c CE3 1 ? ? +36223 ATOM C CZ2 A TRP W 19 341 ? -24.780 19.342 -11.040 0.40 55.57 ? 359 TRP c CZ2 1 ? ? +36224 ATOM C CZ2 B TRP W 19 341 ? -24.778 19.315 -10.971 0.60 55.15 ? 359 TRP c CZ2 1 ? ? +36225 ATOM C CZ3 A TRP W 19 341 ? -26.225 21.249 -11.354 0.40 56.76 ? 359 TRP c CZ3 1 ? ? +36226 ATOM C CZ3 B TRP W 19 341 ? -26.204 21.256 -11.197 0.60 56.36 ? 359 TRP c CZ3 1 ? ? +36227 ATOM C CH2 A TRP W 19 341 ? -26.034 19.888 -11.112 0.40 56.31 ? 359 TRP c CH2 1 ? ? +36228 ATOM C CH2 B TRP W 19 341 ? -26.031 19.886 -10.983 0.60 55.90 ? 359 TRP c CH2 1 ? ? +36229 ATOM N N A ASP W 19 342 ? -22.438 23.578 -8.445 0.40 56.00 ? 360 ASP c N 1 ? ? +36230 ATOM N N B ASP W 19 342 ? -22.461 23.563 -8.459 0.60 55.64 ? 360 ASP c N 1 ? ? +36231 ATOM C CA A ASP W 19 342 ? -23.304 23.476 -7.284 0.40 56.51 ? 360 ASP c CA 1 ? ? +36232 ATOM C CA B ASP W 19 342 ? -23.319 23.512 -7.289 0.60 56.21 ? 360 ASP c CA 1 ? ? +36233 ATOM C C A ASP W 19 342 ? -23.326 24.770 -6.478 0.40 57.04 ? 360 ASP c C 1 ? ? +36234 ATOM C C B ASP W 19 342 ? -23.337 24.814 -6.498 0.60 56.77 ? 360 ASP c C 1 ? ? +36235 ATOM O O A ASP W 19 342 ? -24.126 24.910 -5.556 0.40 57.53 ? 360 ASP c O 1 ? ? +36236 ATOM O O B ASP W 19 342 ? -24.130 24.953 -5.569 0.60 57.28 ? 360 ASP c O 1 ? ? +36237 ATOM C CB A ASP W 19 342 ? -22.854 22.338 -6.369 0.40 56.13 ? 360 ASP c CB 1 ? ? +36238 ATOM C CB B ASP W 19 342 ? -22.861 22.410 -6.342 0.60 55.86 ? 360 ASP c CB 1 ? ? +36239 ATOM C CG A ASP W 19 342 ? -22.726 21.005 -7.057 0.40 55.65 ? 360 ASP c CG 1 ? ? +36240 ATOM C CG B ASP W 19 342 ? -22.764 21.058 -6.981 0.60 55.41 ? 360 ASP c CG 1 ? ? +36241 ATOM O OD1 A ASP W 19 342 ? -23.722 20.550 -7.641 0.40 55.90 ? 360 ASP c OD1 1 ? ? +36242 ATOM O OD1 B ASP W 19 342 ? -23.798 20.567 -7.469 0.60 55.71 ? 360 ASP c OD1 1 ? ? +36243 ATOM O OD2 A ASP W 19 342 ? -21.624 20.413 -7.003 0.40 55.06 ? 360 ASP c OD2 1 ? ? +36244 ATOM O OD2 B ASP W 19 342 ? -21.643 20.486 -6.995 0.60 54.82 ? 360 ASP c OD2 1 ? ? +36245 ATOM N N A PHE W 19 343 ? -22.433 25.704 -6.826 0.40 56.96 ? 361 PHE c N 1 ? ? +36246 ATOM N N B PHE W 19 343 ? -22.441 25.746 -6.844 0.60 56.72 ? 361 PHE c N 1 ? ? +36247 ATOM C CA A PHE W 19 343 ? -22.367 26.984 -6.140 0.40 57.49 ? 361 PHE c CA 1 ? ? +36248 ATOM C CA B PHE W 19 343 ? -22.376 27.023 -6.153 0.60 57.27 ? 361 PHE c CA 1 ? ? +36249 ATOM C C A PHE W 19 343 ? -23.695 27.723 -6.284 0.40 58.30 ? 361 PHE c C 1 ? ? +36250 ATOM C C B PHE W 19 343 ? -23.693 27.783 -6.317 0.60 58.13 ? 361 PHE c C 1 ? ? +36251 ATOM O O A PHE W 19 343 ? -24.280 27.748 -7.358 0.40 58.45 ? 361 PHE c O 1 ? ? +36252 ATOM O O B PHE W 19 343 ? -24.249 27.849 -7.408 0.60 58.28 ? 361 PHE c O 1 ? ? +36253 ATOM C CB A PHE W 19 343 ? -21.212 27.873 -6.676 0.40 57.24 ? 361 PHE c CB 1 ? ? +36254 ATOM C CB B PHE W 19 343 ? -21.176 27.886 -6.641 0.60 57.00 ? 361 PHE c CB 1 ? ? +36255 ATOM C CG A PHE W 19 343 ? -21.336 29.300 -6.200 0.40 57.83 ? 361 PHE c CG 1 ? ? +36256 ATOM C CG B PHE W 19 343 ? -21.282 29.305 -6.143 0.60 57.57 ? 361 PHE c CG 1 ? ? +36257 ATOM C CD1 A PHE W 19 343 ? -20.988 29.650 -4.908 0.40 57.96 ? 361 PHE c CD1 1 ? ? +36258 ATOM C CD1 B PHE W 19 343 ? -21.022 29.613 -4.819 0.60 57.73 ? 361 PHE c CD1 1 ? ? +36259 ATOM C CD2 A PHE W 19 343 ? -21.884 30.276 -7.019 0.40 58.31 ? 361 PHE c CD2 1 ? ? +36260 ATOM C CD2 B PHE W 19 343 ? -21.743 30.314 -6.974 0.60 58.03 ? 361 PHE c CD2 1 ? ? +36261 ATOM C CE1 A PHE W 19 343 ? -21.151 30.952 -4.458 0.40 58.56 ? 361 PHE c CE1 1 ? ? +36262 ATOM C CE1 B PHE W 19 343 ? -21.186 30.908 -4.345 0.60 58.31 ? 361 PHE c CE1 1 ? ? +36263 ATOM C CE2 A PHE W 19 343 ? -22.046 31.577 -6.563 0.40 58.89 ? 361 PHE c CE2 1 ? ? +36264 ATOM C CE2 B PHE W 19 343 ? -21.897 31.610 -6.500 0.60 58.60 ? 361 PHE c CE2 1 ? ? +36265 ATOM C CZ A PHE W 19 343 ? -21.680 31.907 -5.289 0.40 59.01 ? 361 PHE c CZ 1 ? ? +36266 ATOM C CZ B PHE W 19 343 ? -21.619 31.900 -5.189 0.60 58.75 ? 361 PHE c CZ 1 ? ? +36267 ATOM N N A ARG W 19 344 ? -24.153 28.329 -5.189 0.40 58.92 ? 362 ARG c N 1 ? ? +36268 ATOM N N B ARG W 19 344 ? -24.180 28.356 -5.215 0.60 58.79 ? 362 ARG c N 1 ? ? +36269 ATOM C CA A ARG W 19 344 ? -25.312 29.202 -5.214 0.40 59.81 ? 362 ARG c CA 1 ? ? +36270 ATOM C CA B ARG W 19 344 ? -25.365 29.195 -5.224 0.60 59.74 ? 362 ARG c CA 1 ? ? +36271 ATOM C C A ARG W 19 344 ? -24.910 30.470 -4.466 0.40 60.20 ? 362 ARG c C 1 ? ? +36272 ATOM C C B ARG W 19 344 ? -25.045 30.452 -4.417 0.60 60.23 ? 362 ARG c C 1 ? ? +36273 ATOM O O A ARG W 19 344 ? -24.242 30.392 -3.439 0.40 60.08 ? 362 ARG c O 1 ? ? +36274 ATOM O O B ARG W 19 344 ? -24.587 30.346 -3.284 0.60 60.20 ? 362 ARG c O 1 ? ? +36275 ATOM C CB A ARG W 19 344 ? -26.552 28.535 -4.553 0.40 60.25 ? 362 ARG c CB 1 ? ? +36276 ATOM C CB B ARG W 19 344 ? -26.591 28.471 -4.601 0.60 60.15 ? 362 ARG c CB 1 ? ? +36277 ATOM C CG A ARG W 19 344 ? -26.886 27.114 -5.044 0.40 59.90 ? 362 ARG c CG 1 ? ? +36278 ATOM C CG B ARG W 19 344 ? -26.903 27.058 -5.136 0.60 59.77 ? 362 ARG c CG 1 ? ? +36279 ATOM C CD A ARG W 19 344 ? -27.439 27.063 -6.465 0.40 60.01 ? 362 ARG c CD 1 ? ? +36280 ATOM C CD B ARG W 19 344 ? -27.536 27.047 -6.518 0.60 59.95 ? 362 ARG c CD 1 ? ? +36281 ATOM N NE A ARG W 19 344 ? -28.784 27.623 -6.580 0.40 60.91 ? 362 ARG c NE 1 ? ? +36282 ATOM N NE B ARG W 19 344 ? -28.874 27.637 -6.541 0.60 60.86 ? 362 ARG c NE 1 ? ? +36283 ATOM C CZ A ARG W 19 344 ? -29.907 27.013 -6.204 0.40 61.38 ? 362 ARG c CZ 1 ? ? +36284 ATOM C CZ B ARG W 19 344 ? -29.992 27.036 -6.140 0.60 61.34 ? 362 ARG c CZ 1 ? ? +36285 ATOM N NH1 A ARG W 19 344 ? -29.905 25.774 -5.745 0.40 61.06 ? 362 ARG c NH1 1 ? ? +36286 ATOM N NH1 B ARG W 19 344 ? -30.001 25.779 -5.729 0.60 61.02 ? 362 ARG c NH1 1 ? ? +36287 ATOM N NH2 A ARG W 19 344 ? -31.064 27.659 -6.312 0.40 62.20 ? 362 ARG c NH2 1 ? ? +36288 ATOM N NH2 B ARG W 19 344 ? -31.138 27.707 -6.182 0.60 62.18 ? 362 ARG c NH2 1 ? ? +36289 ATOM N N . GLY W 19 345 ? -25.310 31.633 -4.989 1.00 60.76 ? 363 GLY c N 1 ? ? +36290 ATOM C CA . GLY W 19 345 ? -25.072 32.894 -4.300 1.00 61.19 ? 363 GLY c CA 1 ? ? +36291 ATOM C C . GLY W 19 345 ? -25.995 34.008 -4.773 1.00 61.89 ? 363 GLY c C 1 ? ? +36292 ATOM O O . GLY W 19 345 ? -26.460 33.966 -5.906 1.00 61.97 ? 363 GLY c O 1 ? ? +36293 ATOM N N . PRO W 19 346 ? -26.253 35.044 -3.944 1.00 62.50 ? 364 PRO c N 1 ? ? +36294 ATOM C CA . PRO W 19 346 ? -27.249 36.069 -4.276 1.00 63.34 ? 364 PRO c CA 1 ? ? +36295 ATOM C CB . PRO W 19 346 ? -27.201 37.015 -3.070 1.00 63.82 ? 364 PRO c CB 1 ? ? +36296 ATOM C CG . PRO W 19 346 ? -25.970 36.690 -2.322 1.00 63.20 ? 364 PRO c CG 1 ? ? +36297 ATOM C CD . PRO W 19 346 ? -25.612 35.272 -2.639 1.00 62.43 ? 364 PRO c CD 1 ? ? +36298 ATOM C C . PRO W 19 346 ? -27.023 36.841 -5.577 1.00 63.42 ? 364 PRO c C 1 ? ? +36299 ATOM O O . PRO W 19 346 ? -27.981 37.234 -6.235 1.00 63.94 ? 364 PRO c O 1 ? ? +36300 ATOM N N A TRP W 19 347 ? -25.751 37.030 -5.944 0.40 62.93 ? 365 TRP c N 1 ? ? +36301 ATOM N N B TRP W 19 347 ? -25.751 37.051 -5.929 0.60 62.92 ? 365 TRP c N 1 ? ? +36302 ATOM C CA A TRP W 19 347 ? -25.398 37.777 -7.142 0.40 62.99 ? 365 TRP c CA 1 ? ? +36303 ATOM C CA B TRP W 19 347 ? -25.378 37.773 -7.137 0.60 62.94 ? 365 TRP c CA 1 ? ? +36304 ATOM C C A TRP W 19 347 ? -25.606 36.987 -8.434 0.40 62.70 ? 365 TRP c C 1 ? ? +36305 ATOM C C B TRP W 19 347 ? -25.514 36.976 -8.433 0.60 62.62 ? 365 TRP c C 1 ? ? +36306 ATOM O O A TRP W 19 347 ? -25.707 37.581 -9.507 0.40 62.93 ? 365 TRP c O 1 ? ? +36307 ATOM O O B TRP W 19 347 ? -25.453 37.551 -9.517 0.60 62.76 ? 365 TRP c O 1 ? ? +36308 ATOM C CB A TRP W 19 347 ? -23.941 38.262 -7.074 0.40 62.55 ? 365 TRP c CB 1 ? ? +36309 ATOM C CB B TRP W 19 347 ? -23.931 38.263 -7.034 0.60 62.49 ? 365 TRP c CB 1 ? ? +36310 ATOM C CG A TRP W 19 347 ? -22.942 37.173 -6.848 0.40 61.66 ? 365 TRP c CG 1 ? ? +36311 ATOM C CG B TRP W 19 347 ? -22.936 37.168 -6.820 0.60 61.58 ? 365 TRP c CG 1 ? ? +36312 ATOM C CD1 A TRP W 19 347 ? -22.529 36.672 -5.652 0.40 61.38 ? 365 TRP c CD1 1 ? ? +36313 ATOM C CD1 B TRP W 19 347 ? -22.511 36.668 -5.628 0.60 61.27 ? 365 TRP c CD1 1 ? ? +36314 ATOM C CD2 A TRP W 19 347 ? -22.245 36.437 -7.856 0.40 60.97 ? 365 TRP c CD2 1 ? ? +36315 ATOM C CD2 B TRP W 19 347 ? -22.276 36.408 -7.835 0.60 60.87 ? 365 TRP c CD2 1 ? ? +36316 ATOM N NE1 A TRP W 19 347 ? -21.606 35.677 -5.852 0.40 60.58 ? 365 TRP c NE1 1 ? ? +36317 ATOM N NE1 B TRP W 19 347 ? -21.609 35.658 -5.836 0.60 60.46 ? 365 TRP c NE1 1 ? ? +36318 ATOM C CE2 A TRP W 19 347 ? -21.416 35.509 -7.199 0.40 60.30 ? 365 TRP c CE2 1 ? ? +36319 ATOM C CE2 B TRP W 19 347 ? -21.447 35.475 -7.185 0.60 60.19 ? 365 TRP c CE2 1 ? ? +36320 ATOM C CE3 A TRP W 19 347 ? -22.240 36.472 -9.255 0.40 60.87 ? 365 TRP c CE3 1 ? ? +36321 ATOM C CE3 B TRP W 19 347 ? -22.301 36.428 -9.235 0.60 60.77 ? 365 TRP c CE3 1 ? ? +36322 ATOM C CZ2 A TRP W 19 347 ? -20.590 34.627 -7.892 0.40 59.56 ? 365 TRP c CZ2 1 ? ? +36323 ATOM C CZ2 B TRP W 19 347 ? -20.649 34.573 -7.885 0.60 59.44 ? 365 TRP c CZ2 1 ? ? +36324 ATOM C CZ3 A TRP W 19 347 ? -21.424 35.598 -9.941 0.40 60.13 ? 365 TRP c CZ3 1 ? ? +36325 ATOM C CZ3 B TRP W 19 347 ? -21.511 35.533 -9.928 0.60 60.03 ? 365 TRP c CZ3 1 ? ? +36326 ATOM C CH2 A TRP W 19 347 ? -20.609 34.689 -9.262 0.40 59.48 ? 365 TRP c CH2 1 ? ? +36327 ATOM C CH2 B TRP W 19 347 ? -20.696 34.620 -9.255 0.60 59.37 ? 365 TRP c CH2 1 ? ? +36328 ATOM N N . LEU W 19 348 ? -25.671 35.655 -8.320 1.00 62.23 ? 366 LEU c N 1 ? ? +36329 ATOM C CA . LEU W 19 348 ? -25.798 34.784 -9.481 1.00 61.96 ? 366 LEU c CA 1 ? ? +36330 ATOM C CB . LEU W 19 348 ? -24.847 33.602 -9.305 1.00 61.09 ? 366 LEU c CB 1 ? ? +36331 ATOM C CG . LEU W 19 348 ? -24.756 32.633 -10.482 1.00 60.64 ? 366 LEU c CG 1 ? ? +36332 ATOM C CD1 . LEU W 19 348 ? -24.418 33.347 -11.800 1.00 60.68 ? 366 LEU c CD1 1 ? ? +36333 ATOM C CD2 . LEU W 19 348 ? -23.699 31.555 -10.215 1.00 59.81 ? 366 LEU c CD2 1 ? ? +36334 ATOM C C . LEU W 19 348 ? -27.212 34.268 -9.748 1.00 62.48 ? 366 LEU c C 1 ? ? +36335 ATOM O O . LEU W 19 348 ? -27.595 34.101 -10.903 1.00 62.53 ? 366 LEU c O 1 ? ? +36336 ATOM N N . GLU W 19 349 ? -27.988 34.043 -8.685 1.00 62.98 ? 367 GLU c N 1 ? ? +36337 ATOM C CA . GLU W 19 349 ? -29.295 33.410 -8.807 1.00 63.50 ? 367 GLU c CA 1 ? ? +36338 ATOM C CB . GLU W 19 349 ? -29.954 33.220 -7.423 1.00 63.94 ? 367 GLU c CB 1 ? ? +36339 ATOM C CG . GLU W 19 349 ? -29.188 32.289 -6.510 1.00 63.40 ? 367 GLU c CG 1 ? ? +36340 ATOM C CD . GLU W 19 349 ? -28.621 31.077 -7.213 1.00 62.75 ? 367 GLU c CD 1 ? ? +36341 ATOM O OE1 . GLU W 19 349 ? -29.437 30.274 -7.724 1.00 62.95 ? 367 GLU c OE1 1 ? ? +36342 ATOM O OE2 . GLU W 19 349 ? -27.374 30.946 -7.296 1.00 62.14 ? 367 GLU c OE2 1 ? ? +36343 ATOM C C . GLU W 19 349 ? -30.285 34.112 -9.733 1.00 64.18 ? 367 GLU c C 1 ? ? +36344 ATOM O O . GLU W 19 349 ? -31.026 33.428 -10.425 1.00 64.37 ? 367 GLU c O 1 ? ? +36345 ATOM N N . PRO W 19 350 ? -30.334 35.464 -9.819 1.00 64.71 ? 368 PRO c N 1 ? ? +36346 ATOM C CA . PRO W 19 350 ? -31.236 36.125 -10.770 1.00 65.36 ? 368 PRO c CA 1 ? ? +36347 ATOM C CB . PRO W 19 350 ? -30.879 37.609 -10.615 1.00 65.81 ? 368 PRO c CB 1 ? ? +36348 ATOM C CG . PRO W 19 350 ? -30.254 37.725 -9.245 1.00 65.62 ? 368 PRO c CG 1 ? ? +36349 ATOM C CD . PRO W 19 350 ? -29.551 36.421 -9.014 1.00 64.75 ? 368 PRO c CD 1 ? ? +36350 ATOM C C . PRO W 19 350 ? -31.096 35.690 -12.232 1.00 65.01 ? 368 PRO c C 1 ? ? +36351 ATOM O O . PRO W 19 350 ? -32.033 35.861 -13.008 1.00 65.50 ? 368 PRO c O 1 ? ? +36352 ATOM N N . LEU W 19 351 ? -29.926 35.145 -12.608 1.00 64.13 ? 369 LEU c N 1 ? ? +36353 ATOM C CA . LEU W 19 351 ? -29.690 34.674 -13.965 1.00 63.77 ? 369 LEU c CA 1 ? ? +36354 ATOM C CB . LEU W 19 351 ? -28.199 34.823 -14.305 1.00 63.10 ? 369 LEU c CB 1 ? ? +36355 ATOM C CG . LEU W 19 351 ? -27.631 36.214 -14.155 1.00 63.44 ? 369 LEU c CG 1 ? ? +36356 ATOM C CD1 . LEU W 19 351 ? -26.139 36.236 -14.500 1.00 62.75 ? 369 LEU c CD1 1 ? ? +36357 ATOM C CD2 . LEU W 19 351 ? -28.366 37.194 -15.010 1.00 64.20 ? 369 LEU c CD2 1 ? ? +36358 ATOM C C . LEU W 19 351 ? -30.099 33.216 -14.161 1.00 63.35 ? 369 LEU c C 1 ? ? +36359 ATOM O O . LEU W 19 351 ? -30.058 32.693 -15.272 1.00 62.97 ? 369 LEU c O 1 ? ? +36360 ATOM N N . ARG W 19 352 ? -30.485 32.564 -13.064 1.00 63.44 ? 370 ARG c N 1 ? ? +36361 ATOM C CA . ARG W 19 352 ? -30.849 31.162 -13.099 1.00 63.24 ? 370 ARG c CA 1 ? ? +36362 ATOM C CB . ARG W 19 352 ? -30.525 30.501 -11.756 1.00 62.96 ? 370 ARG c CB 1 ? ? +36363 ATOM C CG . ARG W 19 352 ? -29.921 29.127 -12.044 1.00 62.25 ? 370 ARG c CG 1 ? ? +36364 ATOM C CD . ARG W 19 352 ? -29.568 28.345 -10.816 1.00 61.91 ? 370 ARG c CD 1 ? ? +36365 ATOM N NE . ARG W 19 352 ? -28.484 28.959 -10.068 1.00 61.60 ? 370 ARG c NE 1 ? ? +36366 ATOM C CZ . ARG W 19 352 ? -27.202 28.765 -10.297 1.00 60.89 ? 370 ARG c CZ 1 ? ? +36367 ATOM N NH1 . ARG W 19 352 ? -26.781 28.189 -11.406 1.00 60.47 ? 370 ARG c NH1 1 ? ? +36368 ATOM N NH2 . ARG W 19 352 ? -26.321 29.169 -9.387 1.00 60.72 ? 370 ARG c NH2 1 ? ? +36369 ATOM C C . ARG W 19 352 ? -32.328 30.989 -13.455 1.00 64.02 ? 370 ARG c C 1 ? ? +36370 ATOM O O . ARG W 19 352 ? -33.177 31.766 -13.022 1.00 64.64 ? 370 ARG c O 1 ? ? +36371 ATOM N N . GLY W 19 353 ? -32.608 29.991 -14.295 1.00 63.85 ? 371 GLY c N 1 ? ? +36372 ATOM C CA . GLY W 19 353 ? -33.965 29.616 -14.644 1.00 64.51 ? 371 GLY c CA 1 ? ? +36373 ATOM C C . GLY W 19 353 ? -34.169 28.127 -14.396 1.00 64.19 ? 371 GLY c C 1 ? ? +36374 ATOM O O . GLY W 19 353 ? -33.292 27.469 -13.845 1.00 63.50 ? 371 GLY c O 1 ? ? +36375 ATOM N N . PRO W 19 354 ? -35.323 27.544 -14.804 1.00 64.74 ? 372 PRO c N 1 ? ? +36376 ATOM C CA . PRO W 19 354 ? -35.587 26.123 -14.557 1.00 64.41 ? 372 PRO c CA 1 ? ? +36377 ATOM C CB . PRO W 19 354 ? -36.928 25.879 -15.280 1.00 65.06 ? 372 PRO c CB 1 ? ? +36378 ATOM C CG . PRO W 19 354 ? -37.108 27.044 -16.203 1.00 65.55 ? 372 PRO c CG 1 ? ? +36379 ATOM C CD . PRO W 19 354 ? -36.412 28.204 -15.549 1.00 65.51 ? 372 PRO c CD 1 ? ? +36380 ATOM C C . PRO W 19 354 ? -34.486 25.176 -15.038 1.00 63.30 ? 372 PRO c C 1 ? ? +36381 ATOM O O . PRO W 19 354 ? -34.209 24.177 -14.381 1.00 62.83 ? 372 PRO c O 1 ? ? +36382 ATOM N N . ASN W 19 355 ? -33.868 25.493 -16.178 1.00 63.01 ? 373 ASN c N 1 ? ? +36383 ATOM C CA . ASN W 19 355 ? -32.835 24.641 -16.749 1.00 62.20 ? 373 ASN c CA 1 ? ? +36384 ATOM C CB . ASN W 19 355 ? -32.917 24.687 -18.255 1.00 62.40 ? 373 ASN c CB 1 ? ? +36385 ATOM C CG . ASN W 19 355 ? -34.096 24.020 -18.820 1.00 63.07 ? 373 ASN c CG 1 ? ? +36386 ATOM O OD1 . ASN W 19 355 ? -34.872 24.633 -19.523 1.00 63.93 ? 373 ASN c OD1 1 ? ? +36387 ATOM N ND2 . ASN W 19 355 ? -34.236 22.750 -18.568 1.00 62.98 ? 373 ASN c ND2 1 ? ? +36388 ATOM C C . ASN W 19 355 ? -31.394 24.996 -16.371 1.00 61.38 ? 373 ASN c C 1 ? ? +36389 ATOM O O . ASN W 19 355 ? -30.460 24.488 -16.977 1.00 60.57 ? 373 ASN c O 1 ? ? +36390 ATOM N N . GLY W 19 356 ? -31.218 25.861 -15.373 1.00 61.51 ? 374 GLY c N 1 ? ? +36391 ATOM C CA . GLY W 19 356 ? -29.911 26.402 -15.058 1.00 60.97 ? 374 GLY c CA 1 ? ? +36392 ATOM C C . GLY W 19 356 ? -29.793 27.836 -15.549 1.00 61.37 ? 374 GLY c C 1 ? ? +36393 ATOM O O . GLY W 19 356 ? -30.781 28.552 -15.605 1.00 62.19 ? 374 GLY c O 1 ? ? +36394 ATOM N N . LEU W 19 357 ? -28.576 28.250 -15.892 1.00 60.89 ? 375 LEU c N 1 ? ? +36395 ATOM C CA . LEU W 19 357 ? -28.333 29.604 -16.357 1.00 61.24 ? 375 LEU c CA 1 ? ? +36396 ATOM C CB . LEU W 19 357 ? -26.849 29.832 -16.654 1.00 60.52 ? 375 LEU c CB 1 ? ? +36397 ATOM C CG . LEU W 19 357 ? -25.946 29.804 -15.430 1.00 60.10 ? 375 LEU c CG 1 ? ? +36398 ATOM C CD1 . LEU W 19 357 ? -24.501 30.081 -15.816 1.00 59.54 ? 375 LEU c CD1 1 ? ? +36399 ATOM C CD2 . LEU W 19 357 ? -26.407 30.815 -14.383 1.00 60.70 ? 375 LEU c CD2 1 ? ? +36400 ATOM C C . LEU W 19 357 ? -29.183 29.841 -17.596 1.00 61.78 ? 375 LEU c C 1 ? ? +36401 ATOM O O . LEU W 19 357 ? -29.228 29.005 -18.492 1.00 61.45 ? 375 LEU c O 1 ? ? +36402 ATOM N N . ASP W 19 358 ? -29.856 30.990 -17.620 1.00 62.77 ? 376 ASP c N 1 ? ? +36403 ATOM C CA . ASP W 19 358 ? -30.788 31.317 -18.683 1.00 63.56 ? 376 ASP c CA 1 ? ? +36404 ATOM C CB . ASP W 19 358 ? -32.059 31.949 -18.106 1.00 64.46 ? 376 ASP c CB 1 ? ? +36405 ATOM C CG . ASP W 19 358 ? -33.214 31.969 -19.075 1.00 65.20 ? 376 ASP c CG 1 ? ? +36406 ATOM O OD1 . ASP W 19 358 ? -32.980 32.236 -20.268 1.00 65.16 ? 376 ASP c OD1 1 ? ? +36407 ATOM O OD2 . ASP W 19 358 ? -34.368 31.750 -18.630 1.00 65.97 ? 376 ASP c OD2 1 ? ? +36408 ATOM C C . ASP W 19 358 ? -30.122 32.258 -19.679 1.00 63.74 ? 376 ASP c C 1 ? ? +36409 ATOM O O . ASP W 19 358 ? -29.686 33.347 -19.317 1.00 63.91 ? 376 ASP c O 1 ? ? +36410 ATOM N N . LEU W 19 359 ? -30.089 31.842 -20.945 1.00 63.86 ? 377 LEU c N 1 ? ? +36411 ATOM C CA . LEU W 19 359 ? -29.385 32.590 -21.969 1.00 64.13 ? 377 LEU c CA 1 ? ? +36412 ATOM C CB . LEU W 19 359 ? -29.348 31.786 -23.268 1.00 63.88 ? 377 LEU c CB 1 ? ? +36413 ATOM C CG . LEU W 19 359 ? -28.442 32.330 -24.355 1.00 63.82 ? 377 LEU c CG 1 ? ? +36414 ATOM C CD1 . LEU W 19 359 ? -26.964 32.514 -23.855 1.00 63.18 ? 377 LEU c CD1 1 ? ? +36415 ATOM C CD2 . LEU W 19 359 ? -28.432 31.416 -25.557 1.00 63.55 ? 377 LEU c CD2 1 ? ? +36416 ATOM C C . LEU W 19 359 ? -30.026 33.952 -22.203 1.00 65.50 ? 377 LEU c C 1 ? ? +36417 ATOM O O . LEU W 19 359 ? -29.312 34.918 -22.451 1.00 65.54 ? 377 LEU c O 1 ? ? +36418 ATOM N N . ASN W 19 360 ? -31.368 34.020 -22.129 1.00 66.78 ? 378 ASN c N 1 ? ? +36419 ATOM C CA . ASN W 19 360 ? -32.067 35.282 -22.282 1.00 68.10 ? 378 ASN c CA 1 ? ? +36420 ATOM C CB . ASN W 19 360 ? -33.578 35.090 -22.341 1.00 69.59 ? 378 ASN c CB 1 ? ? +36421 ATOM C CG . ASN W 19 360 ? -34.022 34.570 -23.664 1.00 70.40 ? 378 ASN c CG 1 ? ? +36422 ATOM O OD1 . ASN W 19 360 ? -34.683 33.543 -23.735 1.00 71.05 ? 378 ASN c OD1 1 ? ? +36423 ATOM N ND2 . ASN W 19 360 ? -33.671 35.272 -24.751 1.00 70.83 ? 378 ASN c ND2 1 ? ? +36424 ATOM C C . ASN W 19 360 ? -31.730 36.259 -21.161 1.00 68.04 ? 378 ASN c C 1 ? ? +36425 ATOM O O . ASN W 19 360 ? -31.500 37.437 -21.416 1.00 68.29 ? 378 ASN c O 1 ? ? +36426 ATOM N N . LYS W 19 361 ? -31.723 35.767 -19.919 1.00 67.66 ? 379 LYS c N 1 ? ? +36427 ATOM C CA . LYS W 19 361 ? -31.391 36.609 -18.784 1.00 67.79 ? 379 LYS c CA 1 ? ? +36428 ATOM C CB . LYS W 19 361 ? -31.661 35.886 -17.467 1.00 67.78 ? 379 LYS c CB 1 ? ? +36429 ATOM C CG . LYS W 19 361 ? -33.120 35.663 -17.207 1.00 68.68 ? 379 LYS c CG 1 ? ? +36430 ATOM C CD . LYS W 19 361 ? -33.367 34.881 -15.942 1.00 68.75 ? 379 LYS c CD 1 ? ? +36431 ATOM C CE . LYS W 19 361 ? -34.846 34.511 -15.873 1.00 69.69 ? 379 LYS c CE 1 ? ? +36432 ATOM N NZ . LYS W 19 361 ? -35.125 33.536 -14.792 1.00 69.65 ? 379 LYS c NZ 1 ? ? +36433 ATOM C C . LYS W 19 361 ? -29.938 37.071 -18.854 1.00 67.03 ? 379 LYS c C 1 ? ? +36434 ATOM O O . LYS W 19 361 ? -29.632 38.192 -18.454 1.00 67.44 ? 379 LYS c O 1 ? ? +36435 ATOM N N . ILE W 19 362 ? -29.052 36.210 -19.370 1.00 65.91 ? 380 ILE c N 1 ? ? +36436 ATOM C CA . ILE W 19 362 ? -27.668 36.600 -19.578 1.00 65.28 ? 380 ILE c CA 1 ? ? +36437 ATOM C CB . ILE W 19 362 ? -26.807 35.381 -19.974 1.00 64.28 ? 380 ILE c CB 1 ? ? +36438 ATOM C CG1 . ILE W 19 362 ? -26.593 34.449 -18.776 1.00 63.73 ? 380 ILE c CG1 1 ? ? +36439 ATOM C CG2 . ILE W 19 362 ? -25.490 35.815 -20.549 1.00 63.82 ? 380 ILE c CG2 1 ? ? +36440 ATOM C CD1 . ILE W 19 362 ? -26.155 33.102 -19.118 1.00 62.96 ? 380 ILE c CD1 1 ? ? +36441 ATOM C C . ILE W 19 362 ? -27.575 37.736 -20.596 1.00 65.75 ? 380 ILE c C 1 ? ? +36442 ATOM O O . ILE W 19 362 ? -26.922 38.744 -20.342 1.00 65.92 ? 380 ILE c O 1 ? ? +36443 ATOM N N . LYS W 19 363 ? -28.260 37.586 -21.733 1.00 66.04 ? 381 LYS c N 1 ? ? +36444 ATOM C CA . LYS W 19 363 ? -28.233 38.597 -22.777 1.00 66.58 ? 381 LYS c CA 1 ? ? +36445 ATOM C CB . LYS W 19 363 ? -28.952 38.078 -24.023 1.00 66.79 ? 381 LYS c CB 1 ? ? +36446 ATOM C CG . LYS W 19 363 ? -28.231 36.996 -24.781 1.00 66.02 ? 381 LYS c CG 1 ? ? +36447 ATOM C CD . LYS W 19 363 ? -28.964 36.672 -26.058 1.00 66.47 ? 381 LYS c CD 1 ? ? +36448 ATOM C CE . LYS W 19 363 ? -28.370 35.510 -26.799 1.00 65.86 ? 381 LYS c CE 1 ? ? +36449 ATOM N NZ . LYS W 19 363 ? -29.076 35.258 -28.092 1.00 66.35 ? 381 LYS c NZ 1 ? ? +36450 ATOM C C . LYS W 19 363 ? -28.853 39.949 -22.410 1.00 67.53 ? 381 LYS c C 1 ? ? +36451 ATOM O O . LYS W 19 363 ? -28.451 40.964 -22.965 1.00 67.87 ? 381 LYS c O 1 ? ? +36452 ATOM N N . ASN W 19 364 ? -29.827 39.977 -21.493 1.00 68.10 ? 382 ASN c N 1 ? ? +36453 ATOM C CA . ASN W 19 364 ? -30.609 41.185 -21.252 1.00 69.19 ? 382 ASN c CA 1 ? ? +36454 ATOM C CB . ASN W 19 364 ? -32.078 40.932 -21.612 1.00 69.91 ? 382 ASN c CB 1 ? ? +36455 ATOM C CG . ASN W 19 364 ? -32.230 40.419 -23.013 1.00 69.97 ? 382 ASN c CG 1 ? ? +36456 ATOM O OD1 . ASN W 19 364 ? -32.680 39.292 -23.258 1.00 69.80 ? 382 ASN c OD1 1 ? ? +36457 ATOM N ND2 . ASN W 19 364 ? -31.783 41.208 -23.962 1.00 70.21 ? 382 ASN c ND2 1 ? ? +36458 ATOM C C . ASN W 19 364 ? -30.577 41.780 -19.845 1.00 69.39 ? 382 ASN c C 1 ? ? +36459 ATOM O O . ASN W 19 364 ? -30.697 42.991 -19.713 1.00 69.98 ? 382 ASN c O 1 ? ? +36460 ATOM N N . ASP W 19 365 ? -30.405 40.943 -18.814 1.00 69.02 ? 383 ASP c N 1 ? ? +36461 ATOM C CA . ASP W 19 365 ? -30.741 41.318 -17.448 1.00 69.53 ? 383 ASP c CA 1 ? ? +36462 ATOM C CB . ASP W 19 365 ? -31.778 40.331 -16.907 1.00 69.92 ? 383 ASP c CB 1 ? ? +36463 ATOM C CG . ASP W 19 365 ? -33.079 40.328 -17.672 1.00 70.81 ? 383 ASP c CG 1 ? ? +36464 ATOM O OD1 . ASP W 19 365 ? -33.432 41.386 -18.253 1.00 71.61 ? 383 ASP c OD1 1 ? ? +36465 ATOM O OD2 . ASP W 19 365 ? -33.717 39.256 -17.742 1.00 70.98 ? 383 ASP c OD2 1 ? ? +36466 ATOM C C . ASP W 19 365 ? -29.611 41.372 -16.429 1.00 68.88 ? 383 ASP c C 1 ? ? +36467 ATOM O O . ASP W 19 365 ? -29.871 41.511 -15.236 1.00 68.97 ? 383 ASP c O 1 ? ? +36468 ATOM N N . ILE W 19 366 ? -28.363 41.270 -16.898 1.00 68.32 ? 384 ILE c N 1 ? ? +36469 ATOM C CA . ILE W 19 366 ? -27.212 41.434 -16.026 1.00 67.81 ? 384 ILE c CA 1 ? ? +36470 ATOM C CB . ILE W 19 366 ? -25.920 40.892 -16.668 1.00 66.97 ? 384 ILE c CB 1 ? ? +36471 ATOM C CG1 . ILE W 19 366 ? -26.074 39.383 -16.986 1.00 66.29 ? 384 ILE c CG1 1 ? ? +36472 ATOM C CG2 . ILE W 19 366 ? -24.692 41.161 -15.781 1.00 66.54 ? 384 ILE c CG2 1 ? ? +36473 ATOM C CD1 . ILE W 19 366 ? -24.817 38.709 -17.459 1.00 65.36 ? 384 ILE c CD1 1 ? ? +36474 ATOM C C . ILE W 19 366 ? -27.100 42.907 -15.645 1.00 68.59 ? 384 ILE c C 1 ? ? +36475 ATOM O O . ILE W 19 366 ? -26.914 43.767 -16.500 1.00 68.90 ? 384 ILE c O 1 ? ? +36476 ATOM N N . GLN W 19 367 ? -27.240 43.178 -14.345 1.00 68.97 ? 385 GLN c N 1 ? ? +36477 ATOM C CA . GLN W 19 367 ? -27.162 44.524 -13.810 1.00 69.72 ? 385 GLN c CA 1 ? ? +36478 ATOM C CB . GLN W 19 367 ? -28.017 44.628 -12.544 1.00 70.47 ? 385 GLN c CB 1 ? ? +36479 ATOM C CG . GLN W 19 367 ? -29.486 44.405 -12.813 1.00 71.32 ? 385 GLN c CG 1 ? ? +36480 ATOM C CD . GLN W 19 367 ? -29.929 45.296 -13.929 1.00 72.33 ? 385 GLN c CD 1 ? ? +36481 ATOM O OE1 . GLN W 19 367 ? -30.149 44.823 -15.051 1.00 72.67 ? 385 GLN c OE1 1 ? ? +36482 ATOM N NE2 . GLN W 19 367 ? -30.003 46.599 -13.679 1.00 73.10 ? 385 GLN c NE2 1 ? ? +36483 ATOM C C . GLN W 19 367 ? -25.713 44.872 -13.498 1.00 69.16 ? 385 GLN c C 1 ? ? +36484 ATOM O O . GLN W 19 367 ? -24.892 43.978 -13.309 1.00 68.38 ? 385 GLN c O 1 ? ? +36485 ATOM N N . PRO W 19 368 ? -25.352 46.173 -13.444 1.00 69.61 ? 386 PRO c N 1 ? ? +36486 ATOM C CA . PRO W 19 368 ? -23.991 46.576 -13.074 1.00 69.18 ? 386 PRO c CA 1 ? ? +36487 ATOM C CB . PRO W 19 368 ? -24.048 48.106 -13.132 1.00 70.04 ? 386 PRO c CB 1 ? ? +36488 ATOM C CG . PRO W 19 368 ? -25.236 48.411 -14.026 1.00 70.80 ? 386 PRO c CG 1 ? ? +36489 ATOM C CD . PRO W 19 368 ? -26.221 47.316 -13.767 1.00 70.65 ? 386 PRO c CD 1 ? ? +36490 ATOM C C . PRO W 19 368 ? -23.509 46.082 -11.709 1.00 68.60 ? 386 PRO c C 1 ? ? +36491 ATOM O O . PRO W 19 368 ? -22.322 45.805 -11.544 1.00 67.98 ? 386 PRO c O 1 ? ? +36492 ATOM N N . TRP W 19 369 ? -24.417 45.949 -10.731 1.00 68.73 ? 387 TRP c N 1 ? ? +36493 ATOM C CA . TRP W 19 369 ? -24.013 45.528 -9.397 1.00 68.22 ? 387 TRP c CA 1 ? ? +36494 ATOM C CB . TRP W 19 369 ? -25.138 45.728 -8.358 1.00 68.82 ? 387 TRP c CB 1 ? ? +36495 ATOM C CG . TRP W 19 369 ? -26.322 44.820 -8.519 1.00 68.95 ? 387 TRP c CG 1 ? ? +36496 ATOM C CD1 . TRP W 19 369 ? -27.466 45.080 -9.215 1.00 69.52 ? 387 TRP c CD1 1 ? ? +36497 ATOM N NE1 . TRP W 19 369 ? -28.325 44.013 -9.123 1.00 69.38 ? 387 TRP c NE1 1 ? ? +36498 ATOM C CE2 . TRP W 19 369 ? -27.754 43.044 -8.342 1.00 68.66 ? 387 TRP c CE2 1 ? ? +36499 ATOM C CZ2 . TRP W 19 369 ? -28.233 41.798 -7.961 1.00 68.33 ? 387 TRP c CZ2 1 ? ? +36500 ATOM C CH2 . TRP W 19 369 ? -27.424 41.025 -7.166 1.00 67.69 ? 387 TRP c CH2 1 ? ? +36501 ATOM C CZ3 . TRP W 19 369 ? -26.165 41.467 -6.751 1.00 67.34 ? 387 TRP c CZ3 1 ? ? +36502 ATOM C CE3 . TRP W 19 369 ? -25.690 42.707 -7.124 1.00 67.71 ? 387 TRP c CE3 1 ? ? +36503 ATOM C CD2 . TRP W 19 369 ? -26.491 43.521 -7.938 1.00 68.42 ? 387 TRP c CD2 1 ? ? +36504 ATOM C C . TRP W 19 369 ? -23.501 44.087 -9.385 1.00 67.10 ? 387 TRP c C 1 ? ? +36505 ATOM O O . TRP W 19 369 ? -22.667 43.741 -8.550 1.00 66.51 ? 387 TRP c O 1 ? ? +36506 ATOM N N . GLN W 19 370 ? -24.003 43.268 -10.320 1.00 66.67 ? 388 GLN c N 1 ? ? +36507 ATOM C CA . GLN W 19 370 ? -23.555 41.895 -10.491 1.00 65.69 ? 388 GLN c CA 1 ? ? +36508 ATOM C CB . GLN W 19 370 ? -24.547 41.099 -11.347 1.00 65.77 ? 388 GLN c CB 1 ? ? +36509 ATOM C CG . GLN W 19 370 ? -25.897 40.937 -10.670 1.00 66.49 ? 388 GLN c CG 1 ? ? +36510 ATOM C CD . GLN W 19 370 ? -26.936 40.342 -11.578 1.00 66.70 ? 388 GLN c CD 1 ? ? +36511 ATOM O OE1 . GLN W 19 370 ? -27.411 41.000 -12.498 1.00 67.23 ? 388 GLN c OE1 1 ? ? +36512 ATOM N NE2 . GLN W 19 370 ? -27.316 39.087 -11.333 1.00 66.38 ? 388 GLN c NE2 1 ? ? +36513 ATOM C C . GLN W 19 370 ? -22.170 41.841 -11.127 1.00 64.87 ? 388 GLN c C 1 ? ? +36514 ATOM O O . GLN W 19 370 ? -21.335 41.026 -10.747 1.00 64.02 ? 388 GLN c O 1 ? ? +36515 ATOM N N . GLU W 19 371 ? -21.939 42.710 -12.110 1.00 65.02 ? 389 GLU c N 1 ? ? +36516 ATOM C CA . GLU W 19 371 ? -20.622 42.842 -12.704 1.00 64.46 ? 389 GLU c CA 1 ? ? +36517 ATOM C CB . GLU W 19 371 ? -20.706 43.804 -13.892 1.00 65.08 ? 389 GLU c CB 1 ? ? +36518 ATOM C CG . GLU W 19 371 ? -19.404 43.976 -14.645 1.00 64.81 ? 389 GLU c CG 1 ? ? +36519 ATOM C CD . GLU W 19 371 ? -19.492 44.873 -15.863 1.00 65.40 ? 389 GLU c CD 1 ? ? +36520 ATOM O OE1 . GLU W 19 371 ? -20.612 45.263 -16.267 1.00 66.12 ? 389 GLU c OE1 1 ? ? +36521 ATOM O OE2 . GLU W 19 371 ? -18.417 45.196 -16.408 1.00 65.39 ? 389 GLU c OE2 1 ? ? +36522 ATOM C C . GLU W 19 371 ? -19.594 43.303 -11.666 1.00 64.15 ? 389 GLU c C 1 ? ? +36523 ATOM O O . GLU W 19 371 ? -18.489 42.766 -11.617 1.00 63.49 ? 389 GLU c O 1 ? ? +36524 ATOM N N . ARG W 19 372 ? -19.960 44.299 -10.841 1.00 64.61 ? 390 ARG c N 1 ? ? +36525 ATOM C CA . ARG W 19 372 ? -19.121 44.747 -9.737 1.00 64.37 ? 390 ARG c CA 1 ? ? +36526 ATOM C CB . ARG W 19 372 ? -19.786 45.855 -8.907 1.00 65.15 ? 390 ARG c CB 1 ? ? +36527 ATOM C CG . ARG W 19 372 ? -19.579 47.254 -9.417 1.00 65.71 ? 390 ARG c CG 1 ? ? +36528 ATOM C CD . ARG W 19 372 ? -19.919 48.282 -8.342 1.00 66.37 ? 390 ARG c CD 1 ? ? +36529 ATOM N NE . ARG W 19 372 ? -21.287 48.173 -7.848 1.00 66.77 ? 390 ARG c NE 1 ? ? +36530 ATOM C CZ . ARG W 19 372 ? -22.358 48.685 -8.444 1.00 67.39 ? 390 ARG c CZ 1 ? ? +36531 ATOM N NH1 . ARG W 19 372 ? -22.308 49.147 -9.682 1.00 67.58 ? 390 ARG c NH1 1 ? ? +36532 ATOM N NH2 . ARG W 19 372 ? -23.510 48.742 -7.779 1.00 67.88 ? 390 ARG c NH2 1 ? ? +36533 ATOM C C . ARG W 19 372 ? -18.782 43.602 -8.786 1.00 63.65 ? 390 ARG c C 1 ? ? +36534 ATOM O O . ARG W 19 372 ? -17.613 43.370 -8.489 1.00 63.13 ? 390 ARG c O 1 ? ? +36535 ATOM N N A ARG W 19 373 ? -19.827 42.939 -8.276 0.50 63.61 ? 391 ARG c N 1 ? ? +36536 ATOM N N B ARG W 19 373 ? -19.808 42.847 -8.372 0.50 63.68 ? 391 ARG c N 1 ? ? +36537 ATOM C CA A ARG W 19 373 ? -19.677 41.882 -7.287 0.50 63.01 ? 391 ARG c CA 1 ? ? +36538 ATOM C CA B ARG W 19 373 ? -19.622 41.717 -7.472 0.50 63.11 ? 391 ARG c CA 1 ? ? +36539 ATOM C C A ARG W 19 373 ? -18.760 40.770 -7.793 0.50 62.04 ? 391 ARG c C 1 ? ? +36540 ATOM C C B ARG W 19 373 ? -18.781 40.575 -8.046 0.50 62.08 ? 391 ARG c C 1 ? ? +36541 ATOM O O A ARG W 19 373 ? -17.890 40.304 -7.067 0.50 61.53 ? 391 ARG c O 1 ? ? +36542 ATOM O O B ARG W 19 373 ? -17.948 40.029 -7.329 0.50 61.56 ? 391 ARG c O 1 ? ? +36543 ATOM C CB A ARG W 19 373 ? -21.047 41.270 -6.928 0.50 63.23 ? 391 ARG c CB 1 ? ? +36544 ATOM C CB B ARG W 19 373 ? -20.986 41.184 -6.999 0.50 63.49 ? 391 ARG c CB 1 ? ? +36545 ATOM C CG A ARG W 19 373 ? -21.015 40.390 -5.698 0.50 62.88 ? 391 ARG c CG 1 ? ? +36546 ATOM C CG B ARG W 19 373 ? -21.484 41.887 -5.739 0.50 64.20 ? 391 ARG c CG 1 ? ? +36547 ATOM C CD A ARG W 19 373 ? -21.236 41.173 -4.439 0.50 63.43 ? 391 ARG c CD 1 ? ? +36548 ATOM C CD B ARG W 19 373 ? -20.590 41.579 -4.558 0.50 63.91 ? 391 ARG c CD 1 ? ? +36549 ATOM N NE A ARG W 19 373 ? -22.645 41.495 -4.278 0.50 64.13 ? 391 ARG c NE 1 ? ? +36550 ATOM N NE B ARG W 19 373 ? -20.156 42.795 -3.880 0.50 64.50 ? 391 ARG c NE 1 ? ? +36551 ATOM C CZ A ARG W 19 373 ? -23.120 42.338 -3.380 0.50 64.82 ? 391 ARG c CZ 1 ? ? +36552 ATOM C CZ B ARG W 19 373 ? -20.229 43.003 -2.573 0.50 64.84 ? 391 ARG c CZ 1 ? ? +36553 ATOM N NH1 A ARG W 19 373 ? -22.325 42.953 -2.522 0.50 64.87 ? 391 ARG c NH1 1 ? ? +36554 ATOM N NH1 B ARG W 19 373 ? -20.904 42.187 -1.780 0.50 64.85 ? 391 ARG c NH1 1 ? ? +36555 ATOM N NH2 A ARG W 19 373 ? -24.426 42.582 -3.353 0.50 65.52 ? 391 ARG c NH2 1 ? ? +36556 ATOM N NH2 B ARG W 19 373 ? -19.620 44.064 -2.050 0.50 65.21 ? 391 ARG c NH2 1 ? ? +36557 ATOM N N A ALA W 19 374 ? -18.972 40.345 -9.056 0.40 61.76 ? 392 ALA c N 1 ? ? +36558 ATOM N N B ALA W 19 374 ? -19.002 40.200 -9.319 0.60 61.79 ? 392 ALA c N 1 ? ? +36559 ATOM C CA A ALA W 19 374 ? -18.216 39.261 -9.665 0.40 60.90 ? 392 ALA c CA 1 ? ? +36560 ATOM C CA B ALA W 19 374 ? -18.193 39.169 -9.948 0.60 60.88 ? 392 ALA c CA 1 ? ? +36561 ATOM C C A ALA W 19 374 ? -16.740 39.621 -9.807 0.40 60.52 ? 392 ALA c C 1 ? ? +36562 ATOM C C B ALA W 19 374 ? -16.723 39.578 -9.956 0.60 60.50 ? 392 ALA c C 1 ? ? +36563 ATOM O O A ALA W 19 374 ? -15.872 38.788 -9.568 0.40 59.86 ? 392 ALA c O 1 ? ? +36564 ATOM O O B ALA W 19 374 ? -15.850 38.749 -9.721 0.60 59.82 ? 392 ALA c O 1 ? ? +36565 ATOM C CB A ALA W 19 374 ? -18.801 38.903 -11.024 0.40 60.85 ? 392 ALA c CB 1 ? ? +36566 ATOM C CB B ALA W 19 374 ? -18.675 38.899 -11.356 0.60 60.83 ? 392 ALA c CB 1 ? ? +36567 ATOM N N . ALA W 19 375 ? -16.468 40.870 -10.195 1.00 60.96 ? 393 ALA c N 1 ? ? +36568 ATOM C CA . ALA W 19 375 ? -15.106 41.365 -10.332 1.00 60.68 ? 393 ALA c CA 1 ? ? +36569 ATOM C CB . ALA W 19 375 ? -15.100 42.726 -11.004 1.00 61.31 ? 393 ALA c CB 1 ? ? +36570 ATOM C C . ALA W 19 375 ? -14.404 41.433 -8.978 1.00 60.51 ? 393 ALA c C 1 ? ? +36571 ATOM O O . ALA W 19 375 ? -13.242 41.059 -8.859 1.00 59.99 ? 393 ALA c O 1 ? ? +36572 ATOM N N A GLU W 19 376 ? -15.137 41.904 -7.964 0.40 61.01 ? 394 GLU c N 1 ? ? +36573 ATOM N N B GLU W 19 376 ? -15.114 41.927 -7.961 0.60 60.95 ? 394 GLU c N 1 ? ? +36574 ATOM C CA A GLU W 19 376 ? -14.645 41.950 -6.598 0.40 60.98 ? 394 GLU c CA 1 ? ? +36575 ATOM C CA B GLU W 19 376 ? -14.599 41.947 -6.602 0.60 60.88 ? 394 GLU c CA 1 ? ? +36576 ATOM C C A GLU W 19 376 ? -14.300 40.553 -6.087 0.40 60.25 ? 394 GLU c C 1 ? ? +36577 ATOM C C B GLU W 19 376 ? -14.256 40.528 -6.149 0.60 60.09 ? 394 GLU c C 1 ? ? +36578 ATOM O O A GLU W 19 376 ? -13.242 40.342 -5.504 0.40 59.94 ? 394 GLU c O 1 ? ? +36579 ATOM O O B GLU W 19 376 ? -13.139 40.260 -5.719 0.60 59.72 ? 394 GLU c O 1 ? ? +36580 ATOM C CB A GLU W 19 376 ? -15.701 42.615 -5.693 0.40 61.72 ? 394 GLU c CB 1 ? ? +36581 ATOM C CB B GLU W 19 376 ? -15.631 42.610 -5.667 0.60 61.61 ? 394 GLU c CB 1 ? ? +36582 ATOM C CG A GLU W 19 376 ? -15.338 42.661 -4.217 0.40 61.79 ? 394 GLU c CG 1 ? ? +36583 ATOM C CG B GLU W 19 376 ? -15.299 42.572 -4.180 0.60 61.65 ? 394 GLU c CG 1 ? ? +36584 ATOM C CD A GLU W 19 376 ? -14.158 43.549 -3.882 0.40 61.94 ? 394 GLU c CD 1 ? ? +36585 ATOM C CD B GLU W 19 376 ? -14.156 43.453 -3.714 0.60 61.81 ? 394 GLU c CD 1 ? ? +36586 ATOM O OE1 A GLU W 19 376 ? -13.701 44.299 -4.774 0.40 62.09 ? 394 GLU c OE1 1 ? ? +36587 ATOM O OE1 B GLU W 19 376 ? -13.609 44.226 -4.534 0.60 61.94 ? 394 GLU c OE1 1 ? ? +36588 ATOM O OE2 A GLU W 19 376 ? -13.680 43.487 -2.727 0.40 61.92 ? 394 GLU c OE2 1 ? ? +36589 ATOM O OE2 B GLU W 19 376 ? -13.812 43.376 -2.514 0.60 61.82 ? 394 GLU c OE2 1 ? ? +36590 ATOM N N A TYR W 19 377 ? -15.198 39.592 -6.315 0.40 60.03 ? 395 TYR c N 1 ? ? +36591 ATOM N N B TYR W 19 377 ? -15.217 39.611 -6.278 0.60 59.90 ? 395 TYR c N 1 ? ? +36592 ATOM C CA A TYR W 19 377 ? -15.031 38.261 -5.760 0.40 59.43 ? 395 TYR c CA 1 ? ? +36593 ATOM C CA B TYR W 19 377 ? -15.062 38.271 -5.739 0.60 59.27 ? 395 TYR c CA 1 ? ? +36594 ATOM C C A TYR W 19 377 ? -13.966 37.473 -6.512 0.40 58.70 ? 395 TYR c C 1 ? ? +36595 ATOM C C B TYR W 19 377 ? -14.045 37.445 -6.512 0.60 58.52 ? 395 TYR c C 1 ? ? +36596 ATOM O O A TYR W 19 377 ? -13.221 36.707 -5.912 0.40 58.24 ? 395 TYR c O 1 ? ? +36597 ATOM O O B TYR W 19 377 ? -13.384 36.590 -5.934 0.60 58.04 ? 395 TYR c O 1 ? ? +36598 ATOM C CB A TYR W 19 377 ? -16.360 37.502 -5.764 0.40 59.50 ? 395 TYR c CB 1 ? ? +36599 ATOM C CB B TYR W 19 377 ? -16.406 37.537 -5.707 0.60 59.37 ? 395 TYR c CB 1 ? ? +36600 ATOM C CG A TYR W 19 377 ? -17.300 37.921 -4.661 0.40 60.10 ? 395 TYR c CG 1 ? ? +36601 ATOM C CG B TYR W 19 377 ? -17.351 37.997 -4.620 0.60 59.98 ? 395 TYR c CG 1 ? ? +36602 ATOM C CD1 A TYR W 19 377 ? -16.888 38.794 -3.663 0.40 60.45 ? 395 TYR c CD1 1 ? ? +36603 ATOM C CD1 B TYR W 19 377 ? -16.960 38.946 -3.680 0.60 60.37 ? 395 TYR c CD1 1 ? ? +36604 ATOM C CD2 A TYR W 19 377 ? -18.599 37.441 -4.612 0.40 60.34 ? 395 TYR c CD2 1 ? ? +36605 ATOM C CD2 B TYR W 19 377 ? -18.634 37.478 -4.524 0.60 60.21 ? 395 TYR c CD2 1 ? ? +36606 ATOM C CE1 A TYR W 19 377 ? -17.748 39.182 -2.646 0.40 61.05 ? 395 TYR c CE1 1 ? ? +36607 ATOM C CE1 B TYR W 19 377 ? -17.822 39.367 -2.679 0.60 60.98 ? 395 TYR c CE1 1 ? ? +36608 ATOM C CE2 A TYR W 19 377 ? -19.467 37.819 -3.598 0.40 60.94 ? 395 TYR c CE2 1 ? ? +36609 ATOM C CE2 B TYR W 19 377 ? -19.506 37.893 -3.524 0.60 60.84 ? 395 TYR c CE2 1 ? ? +36610 ATOM C CZ A TYR W 19 377 ? -19.040 38.692 -2.616 0.40 61.29 ? 395 TYR c CZ 1 ? ? +36611 ATOM C CZ B TYR W 19 377 ? -19.096 38.840 -2.604 0.60 61.21 ? 395 TYR c CZ 1 ? ? +36612 ATOM O OH A TYR W 19 377 ? -19.903 39.062 -1.616 0.40 61.91 ? 395 TYR c OH 1 ? ? +36613 ATOM O OH B TYR W 19 377 ? -19.948 39.262 -1.619 0.60 61.88 ? 395 TYR c OH 1 ? ? +36614 ATOM N N A MET W 19 378 ? -13.907 37.669 -7.829 0.40 58.65 ? 396 MET c N 1 ? ? +36615 ATOM N N B MET W 19 378 ? -13.935 37.700 -7.817 0.60 58.48 ? 396 MET c N 1 ? ? +36616 ATOM C CA A MET W 19 378 ? -12.893 37.030 -8.648 0.40 58.00 ? 396 MET c CA 1 ? ? +36617 ATOM C CA B MET W 19 378 ? -12.905 37.070 -8.627 0.60 57.81 ? 396 MET c CA 1 ? ? +36618 ATOM C C A MET W 19 378 ? -11.494 37.482 -8.222 0.40 57.80 ? 396 MET c C 1 ? ? +36619 ATOM C C B MET W 19 378 ? -11.503 37.509 -8.194 0.60 57.58 ? 396 MET c C 1 ? ? +36620 ATOM O O A MET W 19 378 ? -10.556 36.695 -8.247 0.40 57.21 ? 396 MET c O 1 ? ? +36621 ATOM O O B MET W 19 378 ? -10.580 36.705 -8.213 0.60 56.98 ? 396 MET c O 1 ? ? +36622 ATOM C CB A MET W 19 378 ? -13.156 37.348 -10.126 0.40 58.15 ? 396 MET c CB 1 ? ? +36623 ATOM C CB B MET W 19 378 ? -13.149 37.387 -10.113 0.60 57.98 ? 396 MET c CB 1 ? ? +36624 ATOM C CG A MET W 19 378 ? -11.929 37.278 -10.965 0.40 57.80 ? 396 MET c CG 1 ? ? +36625 ATOM C CG B MET W 19 378 ? -11.927 37.281 -10.945 0.60 57.62 ? 396 MET c CG 1 ? ? +36626 ATOM S SD A MET W 19 378 ? -12.156 37.838 -12.650 0.40 58.10 ? 396 MET c SD 1 ? ? +36627 ATOM S SD B MET W 19 378 ? -12.176 37.775 -12.643 0.60 57.90 ? 396 MET c SD 1 ? ? +36628 ATOM C CE A MET W 19 378 ? -10.459 37.644 -13.215 0.40 57.56 ? 396 MET c CE 1 ? ? +36629 ATOM C CE B MET W 19 378 ? -10.461 37.688 -13.171 0.60 57.40 ? 396 MET c CE 1 ? ? +36630 ATOM N N A THR W 19 379 ? -11.367 38.751 -7.815 0.40 58.32 ? 397 THR c N 1 ? ? +36631 ATOM N N B THR W 19 379 ? -11.350 38.786 -7.813 0.60 58.08 ? 397 THR c N 1 ? ? +36632 ATOM C CA A THR W 19 379 ? -10.084 39.321 -7.431 0.40 58.26 ? 397 THR c CA 1 ? ? +36633 ATOM C CA B THR W 19 379 ? -10.059 39.345 -7.432 0.60 57.99 ? 397 THR c CA 1 ? ? +36634 ATOM C C A THR W 19 379 ? -9.807 39.259 -5.931 0.40 58.26 ? 397 THR c C 1 ? ? +36635 ATOM C C B THR W 19 379 ? -9.745 39.243 -5.941 0.60 57.96 ? 397 THR c C 1 ? ? +36636 ATOM O O A THR W 19 379 ? -8.829 39.827 -5.454 0.40 58.34 ? 397 THR c O 1 ? ? +36637 ATOM O O B THR W 19 379 ? -8.718 39.739 -5.492 0.60 57.98 ? 397 THR c O 1 ? ? +36638 ATOM C CB A THR W 19 379 ? -9.995 40.770 -7.892 0.40 58.86 ? 397 THR c CB 1 ? ? +36639 ATOM C CB B THR W 19 379 ? -9.968 40.816 -7.844 0.60 58.60 ? 397 THR c CB 1 ? ? +36640 ATOM O OG1 A THR W 19 379 ? -11.111 41.486 -7.365 0.40 59.51 ? 397 THR c OG1 1 ? ? +36641 ATOM O OG1 B THR W 19 379 ? -11.058 41.527 -7.256 0.60 59.25 ? 397 THR c OG1 1 ? ? +36642 ATOM C CG2 A THR W 19 379 ? -9.970 40.888 -9.392 0.40 58.78 ? 397 THR c CG2 1 ? ? +36643 ATOM C CG2 B THR W 19 379 ? -9.980 40.995 -9.336 0.60 58.56 ? 397 THR c CG2 1 ? ? +36644 ATOM N N A HIS W 19 380 ? -10.685 38.576 -5.191 0.40 58.20 ? 398 HIS c N 1 ? ? +36645 ATOM N N B HIS W 19 380 ? -10.641 38.616 -5.173 0.60 57.90 ? 398 HIS c N 1 ? ? +36646 ATOM C CA A HIS W 19 380 ? -10.445 38.293 -3.788 0.40 58.14 ? 398 HIS c CA 1 ? ? +36647 ATOM C CA B HIS W 19 380 ? -10.395 38.346 -3.767 0.60 57.84 ? 398 HIS c CA 1 ? ? +36648 ATOM C C A HIS W 19 380 ? -10.653 36.804 -3.535 0.40 57.56 ? 398 HIS c C 1 ? ? +36649 ATOM C C B HIS W 19 380 ? -10.602 36.859 -3.497 0.60 57.24 ? 398 HIS c C 1 ? ? +36650 ATOM O O A HIS W 19 380 ? -11.136 36.406 -2.477 0.40 57.64 ? 398 HIS c O 1 ? ? +36651 ATOM O O B HIS W 19 380 ? -11.090 36.474 -2.435 0.60 57.32 ? 398 HIS c O 1 ? ? +36652 ATOM C CB A HIS W 19 380 ? -11.344 39.140 -2.878 0.40 58.84 ? 398 HIS c CB 1 ? ? +36653 ATOM C CB B HIS W 19 380 ? -11.297 39.209 -2.870 0.60 58.53 ? 398 HIS c CB 1 ? ? +36654 ATOM C CG A HIS W 19 380 ? -11.021 40.604 -2.883 0.40 59.40 ? 398 HIS c CG 1 ? ? +36655 ATOM C CG B HIS W 19 380 ? -11.009 40.680 -2.915 0.60 59.09 ? 398 HIS c CG 1 ? ? +36656 ATOM N ND1 A HIS W 19 380 ? -11.393 41.423 -3.928 0.40 59.73 ? 398 HIS c ND1 1 ? ? +36657 ATOM N ND1 B HIS W 19 380 ? -11.340 41.450 -4.011 0.60 59.39 ? 398 HIS c ND1 1 ? ? +36658 ATOM C CD2 A HIS W 19 380 ? -10.392 41.352 -1.953 0.40 59.71 ? 398 HIS c CD2 1 ? ? +36659 ATOM C CD2 B HIS W 19 380 ? -10.464 41.479 -1.976 0.60 59.45 ? 398 HIS c CD2 1 ? ? +36660 ATOM C CE1 A HIS W 19 380 ? -10.969 42.637 -3.611 0.40 60.23 ? 398 HIS c CE1 1 ? ? +36661 ATOM C CE1 B HIS W 19 380 ? -10.974 42.687 -3.715 0.60 59.92 ? 398 HIS c CE1 1 ? ? +36662 ATOM N NE2 A HIS W 19 380 ? -10.360 42.633 -2.428 0.40 60.25 ? 398 HIS c NE2 1 ? ? +36663 ATOM N NE2 B HIS W 19 380 ? -10.438 42.744 -2.496 0.60 59.97 ? 398 HIS c NE2 1 ? ? +36664 ATOM N N A ALA W 19 381 ? -10.271 35.990 -4.524 0.40 57.01 ? 399 ALA c N 1 ? ? +36665 ATOM N N B ALA W 19 381 ? -10.198 36.033 -4.471 0.60 56.66 ? 399 ALA c N 1 ? ? +36666 ATOM C CA A ALA W 19 381 ? -10.345 34.546 -4.401 0.40 56.46 ? 399 ALA c CA 1 ? ? +36667 ATOM C CA B ALA W 19 381 ? -10.304 34.590 -4.361 0.60 56.11 ? 399 ALA c CA 1 ? ? +36668 ATOM C C A ALA W 19 381 ? -9.515 34.103 -3.202 0.40 56.32 ? 399 ALA c C 1 ? ? +36669 ATOM C C B ALA W 19 381 ? -9.472 34.096 -3.184 0.60 55.95 ? 399 ALA c C 1 ? ? +36670 ATOM O O A ALA W 19 381 ? -8.487 34.704 -2.904 0.40 56.40 ? 399 ALA c O 1 ? ? +36671 ATOM O O B ALA W 19 381 ? -8.437 34.675 -2.868 0.60 56.03 ? 399 ALA c O 1 ? ? +36672 ATOM C CB A ALA W 19 381 ? -9.858 33.876 -5.669 0.40 55.90 ? 399 ALA c CB 1 ? ? +36673 ATOM C CB B ALA W 19 381 ? -9.855 33.924 -5.644 0.60 55.54 ? 399 ALA c CB 1 ? ? +36674 ATOM N N A PRO W 19 382 ? -9.945 33.056 -2.463 0.40 56.19 ? 400 PRO c N 1 ? ? +36675 ATOM N N B PRO W 19 382 ? -9.904 33.024 -2.485 0.60 55.81 ? 400 PRO c N 1 ? ? +36676 ATOM C CA A PRO W 19 382 ? -9.184 32.578 -1.311 0.40 56.07 ? 400 PRO c CA 1 ? ? +36677 ATOM C CA B PRO W 19 382 ? -9.173 32.529 -1.323 0.60 55.71 ? 400 PRO c CA 1 ? ? +36678 ATOM C C A PRO W 19 382 ? -7.915 31.835 -1.724 0.40 55.53 ? 400 PRO c C 1 ? ? +36679 ATOM C C B PRO W 19 382 ? -7.908 31.789 -1.744 0.60 55.18 ? 400 PRO c C 1 ? ? +36680 ATOM O O A PRO W 19 382 ? -7.813 30.625 -1.544 0.40 55.10 ? 400 PRO c O 1 ? ? +36681 ATOM O O B PRO W 19 382 ? -7.852 30.566 -1.677 0.60 54.73 ? 400 PRO c O 1 ? ? +36682 ATOM C CB A PRO W 19 382 ? -10.192 31.682 -0.591 0.40 56.07 ? 400 PRO c CB 1 ? ? +36683 ATOM C CB B PRO W 19 382 ? -10.203 31.627 -0.645 0.60 55.69 ? 400 PRO c CB 1 ? ? +36684 ATOM C CG A PRO W 19 382 ? -11.087 31.170 -1.698 0.40 55.89 ? 400 PRO c CG 1 ? ? +36685 ATOM C CG B PRO W 19 382 ? -11.034 31.104 -1.795 0.60 55.48 ? 400 PRO c CG 1 ? ? +36686 ATOM C CD A PRO W 19 382 ? -11.191 32.300 -2.683 0.40 56.18 ? 400 PRO c CD 1 ? ? +36687 ATOM C CD B PRO W 19 382 ? -11.124 32.248 -2.762 0.60 55.77 ? 400 PRO c CD 1 ? ? +36688 ATOM N N A LEU W 19 383 ? -6.963 32.585 -2.293 0.40 55.65 ? 401 LEU c N 1 ? ? +36689 ATOM N N B LEU W 19 383 ? -6.919 32.556 -2.216 0.60 55.33 ? 401 LEU c N 1 ? ? +36690 ATOM C CA A LEU W 19 383 ? -5.642 32.082 -2.636 0.40 55.23 ? 401 LEU c CA 1 ? ? +36691 ATOM C CA B LEU W 19 383 ? -5.598 32.050 -2.551 0.60 54.93 ? 401 LEU c CA 1 ? ? +36692 ATOM C C A LEU W 19 383 ? -4.623 33.110 -2.161 0.40 55.62 ? 401 LEU c C 1 ? ? +36693 ATOM C C B LEU W 19 383 ? -4.609 33.091 -2.043 0.60 55.36 ? 401 LEU c C 1 ? ? +36694 ATOM O O A LEU W 19 383 ? -4.778 34.299 -2.420 0.40 56.11 ? 401 LEU c O 1 ? ? +36695 ATOM O O B LEU W 19 383 ? -4.836 34.283 -2.209 0.60 55.87 ? 401 LEU c O 1 ? ? +36696 ATOM C CB A LEU W 19 383 ? -5.467 31.873 -4.146 0.40 54.90 ? 401 LEU c CB 1 ? ? +36697 ATOM C CB B LEU W 19 383 ? -5.405 31.847 -4.065 0.60 54.59 ? 401 LEU c CB 1 ? ? +36698 ATOM C CG A LEU W 19 383 ? -6.206 30.691 -4.781 0.40 54.49 ? 401 LEU c CG 1 ? ? +36699 ATOM C CG B LEU W 19 383 ? -6.201 30.706 -4.728 0.60 54.22 ? 401 LEU c CG 1 ? ? +36700 ATOM C CD1 A LEU W 19 383 ? -7.688 30.993 -4.992 0.40 54.85 ? 401 LEU c CD1 1 ? ? +36701 ATOM C CD1 B LEU W 19 383 ? -7.654 31.113 -5.028 0.60 54.59 ? 401 LEU c CD1 1 ? ? +36702 ATOM C CD2 A LEU W 19 383 ? -5.578 30.307 -6.101 0.40 54.04 ? 401 LEU c CD2 1 ? ? +36703 ATOM C CD2 B LEU W 19 383 ? -5.538 30.244 -6.012 0.60 53.72 ? 401 LEU c CD2 1 ? ? +36704 ATOM N N A GLY W 19 384 ? -3.585 32.643 -1.464 0.40 55.48 ? 402 GLY c N 1 ? ? +36705 ATOM N N B GLY W 19 384 ? -3.525 32.632 -1.411 0.60 55.23 ? 402 GLY c N 1 ? ? +36706 ATOM C CA A GLY W 19 384 ? -2.557 33.525 -0.943 0.40 55.82 ? 402 GLY c CA 1 ? ? +36707 ATOM C CA B GLY W 19 384 ? -2.490 33.523 -0.922 0.60 55.57 ? 402 GLY c CA 1 ? ? +36708 ATOM C C A GLY W 19 384 ? -1.466 32.743 -0.222 0.40 55.57 ? 402 GLY c C 1 ? ? +36709 ATOM C C B GLY W 19 384 ? -1.375 32.756 -0.220 0.60 55.36 ? 402 GLY c C 1 ? ? +36710 ATOM O O A GLY W 19 384 ? -1.649 31.570 0.094 0.40 55.21 ? 402 GLY c O 1 ? ? +36711 ATOM O O B GLY W 19 384 ? -1.534 31.580 0.101 0.60 54.99 ? 402 GLY c O 1 ? ? +36712 ATOM N N A SER W 19 385 ? -0.336 33.413 0.034 0.40 55.83 ? 403 SER c N 1 ? ? +36713 ATOM N N B SER W 19 385 ? -0.251 33.443 0.012 0.60 55.64 ? 403 SER c N 1 ? ? +36714 ATOM C CA A SER W 19 385 ? 0.814 32.782 0.657 0.40 55.60 ? 403 SER c CA 1 ? ? +36715 ATOM C CA B SER W 19 385 ? 0.908 32.847 0.654 0.60 55.43 ? 403 SER c CA 1 ? ? +36716 ATOM C C A SER W 19 385 ? 0.784 32.966 2.170 0.40 56.02 ? 403 SER c C 1 ? ? +36717 ATOM C C B SER W 19 385 ? 0.836 32.982 2.172 0.60 55.87 ? 403 SER c C 1 ? ? +36718 ATOM O O A SER W 19 385 ? 0.062 33.812 2.689 0.40 56.54 ? 403 SER c O 1 ? ? +36719 ATOM O O B SER W 19 385 ? 0.114 33.823 2.697 0.60 56.39 ? 403 SER c O 1 ? ? +36720 ATOM C CB A SER W 19 385 ? 2.107 33.348 0.085 0.40 55.64 ? 403 SER c CB 1 ? ? +36721 ATOM C CB B SER W 19 385 ? 2.185 33.491 0.132 0.60 55.51 ? 403 SER c CB 1 ? ? +36722 ATOM O OG A SER W 19 385 ? 2.279 34.696 0.479 0.40 56.24 ? 403 SER c OG 1 ? ? +36723 ATOM O OG B SER W 19 385 ? 2.258 34.852 0.518 0.60 56.12 ? 403 SER c OG 1 ? ? +36724 ATOM N N A LEU W 19 386 ? 1.594 32.166 2.866 0.40 55.85 ? 404 LEU c N 1 ? ? +36725 ATOM N N B LEU W 19 386 ? 1.619 32.153 2.867 0.60 55.73 ? 404 LEU c N 1 ? ? +36726 ATOM C CA A LEU W 19 386 ? 1.643 32.179 4.318 0.40 56.20 ? 404 LEU c CA 1 ? ? +36727 ATOM C CA B LEU W 19 386 ? 1.664 32.154 4.320 0.60 56.10 ? 404 LEU c CA 1 ? ? +36728 ATOM C C A LEU W 19 386 ? 2.053 33.545 4.871 0.40 56.78 ? 404 LEU c C 1 ? ? +36729 ATOM C C B LEU W 19 386 ? 2.076 33.516 4.878 0.60 56.69 ? 404 LEU c C 1 ? ? +36730 ATOM O O A LEU W 19 386 ? 1.609 33.932 5.952 0.40 57.23 ? 404 LEU c O 1 ? ? +36731 ATOM O O B LEU W 19 386 ? 1.618 33.905 5.951 0.60 57.14 ? 404 LEU c O 1 ? ? +36732 ATOM C CB A LEU W 19 386 ? 2.612 31.076 4.768 0.40 55.91 ? 404 LEU c CB 1 ? ? +36733 ATOM C CB B LEU W 19 386 ? 2.629 31.042 4.768 0.60 55.84 ? 404 LEU c CB 1 ? ? +36734 ATOM C CG A LEU W 19 386 ? 2.701 30.812 6.260 0.40 56.23 ? 404 LEU c CG 1 ? ? +36735 ATOM C CG B LEU W 19 386 ? 2.765 30.791 6.255 0.60 56.18 ? 404 LEU c CG 1 ? ? +36736 ATOM C CD1 A LEU W 19 386 ? 1.341 30.497 6.850 0.40 56.36 ? 404 LEU c CD1 1 ? ? +36737 ATOM C CD1 B LEU W 19 386 ? 1.430 30.469 6.897 0.60 56.33 ? 404 LEU c CD1 1 ? ? +36738 ATOM C CD2 A LEU W 19 386 ? 3.658 29.682 6.542 0.40 55.87 ? 404 LEU c CD2 1 ? ? +36739 ATOM C CD2 B LEU W 19 386 ? 3.732 29.657 6.508 0.60 55.83 ? 404 LEU c CD2 1 ? ? +36740 ATOM N N A ASN W 19 387 ? 2.884 34.275 4.114 0.40 56.81 ? 405 ASN c N 1 ? ? +36741 ATOM N N B ASN W 19 387 ? 2.914 34.248 4.127 0.60 56.72 ? 405 ASN c N 1 ? ? +36742 ATOM C CA A ASN W 19 387 ? 3.286 35.624 4.486 0.40 57.40 ? 405 ASN c CA 1 ? ? +36743 ATOM C CA B ASN W 19 387 ? 3.298 35.606 4.490 0.60 57.32 ? 405 ASN c CA 1 ? ? +36744 ATOM C C A ASN W 19 387 ? 2.325 36.679 3.935 0.40 57.68 ? 405 ASN c C 1 ? ? +36745 ATOM C C B ASN W 19 387 ? 2.320 36.669 3.977 0.60 57.64 ? 405 ASN c C 1 ? ? +36746 ATOM O O A ASN W 19 387 ? 2.643 37.868 3.915 0.40 58.15 ? 405 ASN c O 1 ? ? +36747 ATOM O O B ASN W 19 387 ? 2.624 37.862 4.032 0.60 58.09 ? 405 ASN c O 1 ? ? +36748 ATOM C CB A ASN W 19 387 ? 4.725 35.904 4.039 0.40 57.42 ? 405 ASN c CB 1 ? ? +36749 ATOM C CB B ASN W 19 387 ? 4.742 35.898 4.025 0.60 57.32 ? 405 ASN c CB 1 ? ? +36750 ATOM C CG A ASN W 19 387 ? 4.970 35.754 2.559 0.40 57.04 ? 405 ASN c CG 1 ? ? +36751 ATOM C CG B ASN W 19 387 ? 4.990 35.686 2.551 0.60 56.92 ? 405 ASN c CG 1 ? ? +36752 ATOM O OD1 A ASN W 19 387 ? 4.588 34.769 1.932 0.40 56.52 ? 405 ASN c OD1 1 ? ? +36753 ATOM O OD1 B ASN W 19 387 ? 4.585 34.679 1.977 0.60 56.41 ? 405 ASN c OD1 1 ? ? +36754 ATOM N ND2 A ASN W 19 387 ? 5.634 36.729 1.962 0.40 57.34 ? 405 ASN c ND2 1 ? ? +36755 ATOM N ND2 B ASN W 19 387 ? 5.667 36.617 1.896 0.60 57.18 ? 405 ASN c ND2 1 ? ? +36756 ATOM N N . SER W 19 388 ? 1.141 36.209 3.521 1.00 57.35 ? 406 SER c N 1 ? ? +36757 ATOM C CA . SER W 19 388 ? 0.025 37.047 3.094 1.00 57.57 ? 406 SER c CA 1 ? ? +36758 ATOM C CB . SER W 19 388 ? -0.474 37.948 4.222 1.00 58.23 ? 406 SER c CB 1 ? ? +36759 ATOM O OG . SER W 19 388 ? -0.916 37.162 5.315 1.00 58.21 ? 406 SER c OG 1 ? ? +36760 ATOM C C . SER W 19 388 ? 0.255 37.862 1.822 1.00 57.58 ? 406 SER c C 1 ? ? +36761 ATOM O O . SER W 19 388 ? -0.069 39.040 1.775 1.00 58.15 ? 406 SER c O 1 ? ? +36762 ATOM N N A VAL W 19 389 ? 0.814 37.203 0.800 0.40 57.03 ? 407 VAL c N 1 ? ? +36763 ATOM N N B VAL W 19 389 ? 0.824 37.209 0.802 0.60 57.01 ? 407 VAL c N 1 ? ? +36764 ATOM C CA A VAL W 19 389 ? 0.875 37.741 -0.548 0.40 56.98 ? 407 VAL c CA 1 ? ? +36765 ATOM C CA B VAL W 19 389 ? 0.902 37.747 -0.545 0.60 56.94 ? 407 VAL c CA 1 ? ? +36766 ATOM C C A VAL W 19 389 ? -0.315 37.148 -1.291 0.40 56.67 ? 407 VAL c C 1 ? ? +36767 ATOM C C B VAL W 19 389 ? -0.275 37.136 -1.294 0.60 56.61 ? 407 VAL c C 1 ? ? +36768 ATOM O O A VAL W 19 389 ? -0.358 35.947 -1.539 0.40 56.09 ? 407 VAL c O 1 ? ? +36769 ATOM O O B VAL W 19 389 ? -0.305 35.926 -1.507 0.60 56.02 ? 407 VAL c O 1 ? ? +36770 ATOM C CB A VAL W 19 389 ? 2.196 37.422 -1.277 0.40 56.64 ? 407 VAL c CB 1 ? ? +36771 ATOM C CB B VAL W 19 389 ? 2.236 37.419 -1.248 0.60 56.60 ? 407 VAL c CB 1 ? ? +36772 ATOM C CG1 A VAL W 19 389 ? 2.211 38.026 -2.672 0.40 56.70 ? 407 VAL c CG1 1 ? ? +36773 ATOM C CG1 B VAL W 19 389 ? 2.324 38.091 -2.607 0.60 56.68 ? 407 VAL c CG1 1 ? ? +36774 ATOM C CG2 A VAL W 19 389 ? 3.395 37.889 -0.469 0.40 56.96 ? 407 VAL c CG2 1 ? ? +36775 ATOM C CG2 B VAL W 19 389 ? 3.420 37.803 -0.380 0.60 56.90 ? 407 VAL c CG2 1 ? ? +36776 ATOM N N A GLY W 19 390 ? -1.277 38.007 -1.631 0.40 57.06 ? 408 GLY c N 1 ? ? +36777 ATOM N N B GLY W 19 390 ? -1.240 37.982 -1.671 0.60 56.98 ? 408 GLY c N 1 ? ? +36778 ATOM C CA A GLY W 19 390 ? -2.512 37.563 -2.251 0.40 56.88 ? 408 GLY c CA 1 ? ? +36779 ATOM C CA B GLY W 19 390 ? -2.504 37.513 -2.210 0.60 56.79 ? 408 GLY c CA 1 ? ? +36780 ATOM C C A GLY W 19 390 ? -2.285 37.031 -3.660 0.40 56.38 ? 408 GLY c C 1 ? ? +36781 ATOM C C B GLY W 19 390 ? -2.373 37.089 -3.666 0.60 56.34 ? 408 GLY c C 1 ? ? +36782 ATOM O O A GLY W 19 390 ? -1.462 37.563 -4.403 0.40 56.46 ? 408 GLY c O 1 ? ? +36783 ATOM O O B GLY W 19 390 ? -1.730 37.776 -4.452 0.60 56.52 ? 408 GLY c O 1 ? ? +36784 ATOM N N A GLY W 19 391 ? -3.013 35.966 -4.003 0.40 55.93 ? 409 GLY c N 1 ? ? +36785 ATOM N N B GLY W 19 391 ? -2.982 35.951 -4.005 0.60 55.82 ? 409 GLY c N 1 ? ? +36786 ATOM C CA A GLY W 19 391 ? -3.074 35.485 -5.369 0.40 55.55 ? 409 GLY c CA 1 ? ? +36787 ATOM C CA B GLY W 19 391 ? -3.047 35.492 -5.379 0.60 55.46 ? 409 GLY c CA 1 ? ? +36788 ATOM C C A GLY W 19 391 ? -2.498 34.083 -5.517 0.40 54.88 ? 409 GLY c C 1 ? ? +36789 ATOM C C B GLY W 19 391 ? -2.530 34.068 -5.502 0.60 54.79 ? 409 GLY c C 1 ? ? +36790 ATOM O O A GLY W 19 391 ? -2.240 33.406 -4.528 0.40 54.70 ? 409 GLY c O 1 ? ? +36791 ATOM O O B GLY W 19 391 ? -2.388 33.371 -4.504 0.60 54.62 ? 409 GLY c O 1 ? ? +36792 ATOM N N A VAL W 19 392 ? -2.302 33.666 -6.771 0.40 54.60 ? 410 VAL c N 1 ? ? +36793 ATOM N N B VAL W 19 392 ? -2.258 33.653 -6.740 0.60 54.50 ? 410 VAL c N 1 ? ? +36794 ATOM C CA A VAL W 19 392 ? -1.697 32.379 -7.060 0.40 54.01 ? 410 VAL c CA 1 ? ? +36795 ATOM C CA B VAL W 19 392 ? -1.689 32.344 -7.005 0.60 53.93 ? 410 VAL c CA 1 ? ? +36796 ATOM C C A VAL W 19 392 ? -0.248 32.398 -6.579 0.40 53.99 ? 410 VAL c C 1 ? ? +36797 ATOM C C B VAL W 19 392 ? -0.229 32.337 -6.554 0.60 53.88 ? 410 VAL c C 1 ? ? +36798 ATOM O O A VAL W 19 392 ? 0.312 33.456 -6.303 0.40 54.41 ? 410 VAL c O 1 ? ? +36799 ATOM O O B VAL W 19 392 ? 0.371 33.386 -6.345 0.60 54.28 ? 410 VAL c O 1 ? ? +36800 ATOM C CB A VAL W 19 392 ? -1.819 32.012 -8.558 0.40 53.72 ? 410 VAL c CB 1 ? ? +36801 ATOM C CB B VAL W 19 392 ? -1.850 31.956 -8.492 0.60 53.64 ? 410 VAL c CB 1 ? ? +36802 ATOM C CG1 A VAL W 19 392 ? -3.285 31.951 -8.983 0.40 53.86 ? 410 VAL c CG1 1 ? ? +36803 ATOM C CG1 B VAL W 19 392 ? -3.324 31.959 -8.896 0.60 53.82 ? 410 VAL c CG1 1 ? ? +36804 ATOM C CG2 A VAL W 19 392 ? -1.034 32.973 -9.444 0.40 53.94 ? 410 VAL c CG2 1 ? ? +36805 ATOM C CG2 B VAL W 19 392 ? -1.033 32.857 -9.409 0.60 53.82 ? 410 VAL c CG2 1 ? ? +36806 ATOM N N A ALA W 19 393 ? 0.338 31.204 -6.468 0.40 53.53 ? 411 ALA c N 1 ? ? +36807 ATOM N N B ALA W 19 393 ? 0.335 31.134 -6.416 0.60 53.44 ? 411 ALA c N 1 ? ? +36808 ATOM C CA A ALA W 19 393 ? 1.657 31.026 -5.886 0.40 53.46 ? 411 ALA c CA 1 ? ? +36809 ATOM C CA B ALA W 19 393 ? 1.678 30.954 -5.892 0.60 53.34 ? 411 ALA c CA 1 ? ? +36810 ATOM C C A ALA W 19 393 ? 2.742 31.738 -6.689 0.40 53.63 ? 411 ALA c C 1 ? ? +36811 ATOM C C B ALA W 19 393 ? 2.733 31.693 -6.708 0.60 53.52 ? 411 ALA c C 1 ? ? +36812 ATOM O O A ALA W 19 393 ? 3.795 32.070 -6.155 0.40 53.83 ? 411 ALA c O 1 ? ? +36813 ATOM O O B ALA W 19 393 ? 3.763 32.086 -6.174 0.60 53.76 ? 411 ALA c O 1 ? ? +36814 ATOM C CB A ALA W 19 393 ? 1.975 29.545 -5.782 0.40 52.88 ? 411 ALA c CB 1 ? ? +36815 ATOM C CB B ALA W 19 393 ? 2.014 29.479 -5.838 0.60 52.74 ? 411 ALA c CB 1 ? ? +36816 ATOM N N A THR W 19 394 ? 2.466 31.964 -7.976 0.40 53.65 ? 412 THR c N 1 ? ? +36817 ATOM N N B THR W 19 394 ? 2.466 31.873 -8.002 0.60 53.52 ? 412 THR c N 1 ? ? +36818 ATOM C CA A THR W 19 394 ? 3.425 32.573 -8.883 0.40 53.80 ? 412 THR c CA 1 ? ? +36819 ATOM C CA B THR W 19 394 ? 3.414 32.507 -8.903 0.60 53.69 ? 412 THR c CA 1 ? ? +36820 ATOM C C A THR W 19 394 ? 3.273 34.085 -9.014 0.40 54.49 ? 412 THR c C 1 ? ? +36821 ATOM C C B THR W 19 394 ? 3.291 34.024 -8.999 0.60 54.39 ? 412 THR c C 1 ? ? +36822 ATOM O O A THR W 19 394 ? 3.978 34.715 -9.798 0.40 54.64 ? 412 THR c O 1 ? ? +36823 ATOM O O B THR W 19 394 ? 3.994 34.647 -9.789 0.60 54.52 ? 412 THR c O 1 ? ? +36824 ATOM C CB A THR W 19 394 ? 3.280 31.947 -10.255 0.40 53.46 ? 412 THR c CB 1 ? ? +36825 ATOM C CB B THR W 19 394 ? 3.241 31.898 -10.277 0.60 53.36 ? 412 THR c CB 1 ? ? +36826 ATOM O OG1 A THR W 19 394 ? 1.913 32.099 -10.678 0.40 53.60 ? 412 THR c OG1 1 ? ? +36827 ATOM O OG1 B THR W 19 394 ? 1.839 31.914 -10.611 0.60 53.47 ? 412 THR c OG1 1 ? ? +36828 ATOM C CG2 A THR W 19 394 ? 3.684 30.483 -10.257 0.40 52.84 ? 412 THR c CG2 1 ? ? +36829 ATOM C CG2 B THR W 19 394 ? 3.780 30.482 -10.340 0.60 52.74 ? 412 THR c CG2 1 ? ? +36830 ATOM N N A GLU W 19 395 ? 2.338 34.657 -8.248 0.40 54.95 ? 413 GLU c N 1 ? ? +36831 ATOM N N B GLU W 19 395 ? 2.393 34.611 -8.199 0.60 54.86 ? 413 GLU c N 1 ? ? +36832 ATOM C CA A GLU W 19 395 ? 2.077 36.085 -8.289 0.40 55.63 ? 413 GLU c CA 1 ? ? +36833 ATOM C CA B GLU W 19 395 ? 2.112 36.033 -8.273 0.60 55.54 ? 413 GLU c CA 1 ? ? +36834 ATOM C C A GLU W 19 395 ? 3.216 36.837 -7.606 0.40 55.98 ? 413 GLU c C 1 ? ? +36835 ATOM C C B GLU W 19 395 ? 3.208 36.817 -7.558 0.60 55.91 ? 413 GLU c C 1 ? ? +36836 ATOM O O A GLU W 19 395 ? 3.890 36.289 -6.737 0.40 55.78 ? 413 GLU c O 1 ? ? +36837 ATOM O O B GLU W 19 395 ? 3.823 36.315 -6.621 0.60 55.71 ? 413 GLU c O 1 ? ? +36838 ATOM C CB A GLU W 19 395 ? 0.724 36.392 -7.616 0.40 55.97 ? 413 GLU c CB 1 ? ? +36839 ATOM C CB B GLU W 19 395 ? 0.730 36.325 -7.660 0.60 55.87 ? 413 GLU c CB 1 ? ? +36840 ATOM C CG A GLU W 19 395 ? 0.228 37.820 -7.794 0.40 56.68 ? 413 GLU c CG 1 ? ? +36841 ATOM C CG B GLU W 19 395 ? 0.238 37.755 -7.830 0.60 56.61 ? 413 GLU c CG 1 ? ? +36842 ATOM C CD A GLU W 19 395 ? 0.047 38.272 -9.231 0.40 56.81 ? 413 GLU c CD 1 ? ? +36843 ATOM C CD B GLU W 19 395 ? 0.110 38.247 -9.259 0.60 56.78 ? 413 GLU c CD 1 ? ? +36844 ATOM O OE1 A GLU W 19 395 ? 1.059 38.609 -9.890 0.40 56.89 ? 413 GLU c OE1 1 ? ? +36845 ATOM O OE1 B GLU W 19 395 ? 1.153 38.421 -9.933 0.60 56.78 ? 413 GLU c OE1 1 ? ? +36846 ATOM O OE2 A GLU W 19 395 ? -1.111 38.273 -9.704 0.40 56.92 ? 413 GLU c OE2 1 ? ? +36847 ATOM O OE2 B GLU W 19 395 ? -1.038 38.459 -9.707 0.60 56.99 ? 413 GLU c OE2 1 ? ? +36848 ATOM N N A ILE W 19 396 ? 3.420 38.093 -8.016 0.40 56.55 ? 414 ILE c N 1 ? ? +36849 ATOM N N B ILE W 19 396 ? 3.441 38.053 -8.012 0.60 56.47 ? 414 ILE c N 1 ? ? +36850 ATOM C CA A ILE W 19 396 ? 4.434 38.941 -7.415 0.40 57.04 ? 414 ILE c CA 1 ? ? +36851 ATOM C CA B ILE W 19 396 ? 4.436 38.912 -7.395 0.60 57.00 ? 414 ILE c CA 1 ? ? +36852 ATOM C C A ILE W 19 396 ? 3.845 39.648 -6.200 0.40 57.59 ? 414 ILE c C 1 ? ? +36853 ATOM C C B ILE W 19 396 ? 3.844 39.594 -6.166 0.60 57.55 ? 414 ILE c C 1 ? ? +36854 ATOM O O A ILE W 19 396 ? 2.625 39.764 -6.082 0.40 57.74 ? 414 ILE c O 1 ? ? +36855 ATOM O O B ILE W 19 396 ? 2.624 39.648 -6.004 0.60 57.70 ? 414 ILE c O 1 ? ? +36856 ATOM C CB A ILE W 19 396 ? 5.004 39.976 -8.424 0.40 57.44 ? 414 ILE c CB 1 ? ? +36857 ATOM C CB B ILE W 19 396 ? 5.003 39.958 -8.399 0.60 57.39 ? 414 ILE c CB 1 ? ? +36858 ATOM C CG1 A ILE W 19 396 ? 3.885 40.877 -8.990 0.40 57.86 ? 414 ILE c CG1 1 ? ? +36859 ATOM C CG1 B ILE W 19 396 ? 3.889 40.881 -8.958 0.60 57.83 ? 414 ILE c CG1 1 ? ? +36860 ATOM C CG2 A ILE W 19 396 ? 5.789 39.294 -9.532 0.40 56.98 ? 414 ILE c CG2 1 ? ? +36861 ATOM C CG2 B ILE W 19 396 ? 5.785 39.274 -9.515 0.60 56.93 ? 414 ILE c CG2 1 ? ? +36862 ATOM C CD1 A ILE W 19 396 ? 4.371 42.062 -9.733 0.40 58.39 ? 414 ILE c CD1 1 ? ? +36863 ATOM C CD1 B ILE W 19 396 ? 4.393 42.045 -9.747 0.60 58.34 ? 414 ILE c CD1 1 ? ? +36864 ATOM N N . ASN W 19 397 ? 4.732 40.125 -5.317 1.00 57.94 ? 415 ASN c N 1 ? ? +36865 ATOM C CA . ASN W 19 397 ? 4.335 40.946 -4.183 1.00 58.51 ? 415 ASN c CA 1 ? ? +36866 ATOM C CB . ASN W 19 397 ? 5.557 41.297 -3.321 1.00 58.81 ? 415 ASN c CB 1 ? ? +36867 ATOM C CG . ASN W 19 397 ? 5.887 40.235 -2.314 1.00 58.47 ? 415 ASN c CG 1 ? ? +36868 ATOM O OD1 . ASN W 19 397 ? 5.303 40.196 -1.230 1.00 58.63 ? 415 ASN c OD1 1 ? ? +36869 ATOM N ND2 . ASN W 19 397 ? 6.836 39.367 -2.625 1.00 58.04 ? 415 ASN c ND2 1 ? ? +36870 ATOM C C . ASN W 19 397 ? 3.623 42.223 -4.622 1.00 59.09 ? 415 ASN c C 1 ? ? +36871 ATOM O O . ASN W 19 397 ? 3.949 42.792 -5.656 1.00 59.20 ? 415 ASN c O 1 ? ? +36872 ATOM N N . SER W 19 398 ? 2.648 42.649 -3.811 1.00 59.50 ? 416 SER c N 1 ? ? +36873 ATOM C CA . SER W 19 398 ? 1.884 43.867 -4.034 1.00 60.18 ? 416 SER c CA 1 ? ? +36874 ATOM C CB . SER W 19 398 ? 1.438 44.038 -5.484 1.00 60.25 ? 416 SER c CB 1 ? ? +36875 ATOM O OG . SER W 19 398 ? 2.463 44.661 -6.246 1.00 60.65 ? 416 SER c OG 1 ? ? +36876 ATOM C C . SER W 19 398 ? 0.660 43.865 -3.136 1.00 60.20 ? 416 SER c C 1 ? ? +36877 ATOM O O . SER W 19 398 ? 0.458 44.793 -2.363 1.00 60.75 ? 416 SER c O 1 ? ? +36878 ATOM N N . VAL W 19 399 ? -0.125 42.791 -3.239 1.00 59.63 ? 417 VAL c N 1 ? ? +36879 ATOM C CA . VAL W 19 399 ? -1.387 42.692 -2.532 1.00 59.72 ? 417 VAL c CA 1 ? ? +36880 ATOM C CB . VAL W 19 399 ? -2.476 42.102 -3.442 1.00 59.37 ? 417 VAL c CB 1 ? ? +36881 ATOM C CG1 . VAL W 19 399 ? -3.823 42.089 -2.737 1.00 59.62 ? 417 VAL c CG1 1 ? ? +36882 ATOM C CG2 . VAL W 19 399 ? -2.560 42.868 -4.758 1.00 59.58 ? 417 VAL c CG2 1 ? ? +36883 ATOM C C . VAL W 19 399 ? -1.199 41.894 -1.243 1.00 59.52 ? 417 VAL c C 1 ? ? +36884 ATOM O O . VAL W 19 399 ? -0.878 40.712 -1.264 1.00 58.92 ? 417 VAL c O 1 ? ? +36885 ATOM N N . ASN W 19 400 ? -1.383 42.579 -0.115 1.00 60.10 ? 418 ASN c N 1 ? ? +36886 ATOM C CA . ASN W 19 400 ? -1.376 41.967 1.198 1.00 60.00 ? 418 ASN c CA 1 ? ? +36887 ATOM C CB . ASN W 19 400 ? -0.984 43.044 2.221 1.00 60.72 ? 418 ASN c CB 1 ? ? +36888 ATOM C CG . ASN W 19 400 ? -0.609 42.529 3.580 1.00 60.80 ? 418 ASN c CG 1 ? ? +36889 ATOM O OD1 . ASN W 19 400 ? -0.455 41.327 3.826 1.00 60.35 ? 418 ASN c OD1 1 ? ? +36890 ATOM N ND2 . ASN W 19 400 ? -0.438 43.438 4.496 1.00 61.51 ? 418 ASN c ND2 1 ? ? +36891 ATOM C C . ASN W 19 400 ? -2.769 41.397 1.451 1.00 59.84 ? 418 ASN c C 1 ? ? +36892 ATOM O O . ASN W 19 400 ? -3.665 42.134 1.838 1.00 60.34 ? 418 ASN c O 1 ? ? +36893 ATOM N N A PHE W 19 401 ? -2.946 40.091 1.210 0.40 59.22 ? 419 PHE c N 1 ? ? +36894 ATOM N N B PHE W 19 401 ? -2.948 40.094 1.200 0.60 59.20 ? 419 PHE c N 1 ? ? +36895 ATOM C CA A PHE W 19 401 ? -4.253 39.463 1.335 0.40 59.12 ? 419 PHE c CA 1 ? ? +36896 ATOM C CA B PHE W 19 401 ? -4.259 39.473 1.319 0.60 59.10 ? 419 PHE c CA 1 ? ? +36897 ATOM C C A PHE W 19 401 ? -4.179 37.949 1.500 0.40 58.50 ? 419 PHE c C 1 ? ? +36898 ATOM C C B PHE W 19 401 ? -4.191 37.960 1.492 0.60 58.46 ? 419 PHE c C 1 ? ? +36899 ATOM O O A PHE W 19 401 ? -3.501 37.270 0.727 0.40 58.01 ? 419 PHE c O 1 ? ? +36900 ATOM O O B PHE W 19 401 ? -3.515 37.280 0.722 0.60 57.99 ? 419 PHE c O 1 ? ? +36901 ATOM C CB A PHE W 19 401 ? -5.115 39.786 0.102 0.40 59.16 ? 419 PHE c CB 1 ? ? +36902 ATOM C CB B PHE W 19 401 ? -5.117 39.776 0.083 0.60 59.11 ? 419 PHE c CB 1 ? ? +36903 ATOM C CG A PHE W 19 401 ? -6.470 39.104 0.084 0.40 59.04 ? 419 PHE c CG 1 ? ? +36904 ATOM C CG B PHE W 19 401 ? -6.463 39.082 0.077 0.60 58.96 ? 419 PHE c CG 1 ? ? +36905 ATOM C CD1 A PHE W 19 401 ? -7.469 39.480 0.966 0.40 59.51 ? 419 PHE c CD1 1 ? ? +36906 ATOM C CD1 B PHE W 19 401 ? -7.457 39.450 0.966 0.60 59.41 ? 419 PHE c CD1 1 ? ? +36907 ATOM C CD2 A PHE W 19 401 ? -6.740 38.088 -0.814 0.40 58.48 ? 419 PHE c CD2 1 ? ? +36908 ATOM C CD2 B PHE W 19 401 ? -6.730 38.059 -0.815 0.60 58.39 ? 419 PHE c CD2 1 ? ? +36909 ATOM C CE1 A PHE W 19 401 ? -8.704 38.849 0.948 0.40 59.44 ? 419 PHE c CE1 1 ? ? +36910 ATOM C CE1 B PHE W 19 401 ? -8.683 38.806 0.963 0.60 59.34 ? 419 PHE c CE1 1 ? ? +36911 ATOM C CE2 A PHE W 19 401 ? -7.976 37.460 -0.826 0.40 58.42 ? 419 PHE c CE2 1 ? ? +36912 ATOM C CE2 B PHE W 19 401 ? -7.962 37.422 -0.814 0.60 58.32 ? 419 PHE c CE2 1 ? ? +36913 ATOM C CZ A PHE W 19 401 ? -8.950 37.847 0.052 0.40 58.90 ? 419 PHE c CZ 1 ? ? +36914 ATOM C CZ B PHE W 19 401 ? -8.930 37.800 0.073 0.60 58.79 ? 419 PHE c CZ 1 ? ? +36915 ATOM N N A VAL W 19 402 ? -4.866 37.454 2.539 0.40 58.57 ? 420 VAL c N 1 ? ? +36916 ATOM N N B VAL W 19 402 ? -4.891 37.461 2.520 0.60 58.51 ? 420 VAL c N 1 ? ? +36917 ATOM C CA A VAL W 19 402 ? -5.281 36.064 2.630 0.40 58.06 ? 420 VAL c CA 1 ? ? +36918 ATOM C CA B VAL W 19 402 ? -5.266 36.059 2.619 0.60 57.96 ? 420 VAL c CA 1 ? ? +36919 ATOM C C A VAL W 19 402 ? -6.718 36.052 3.137 0.40 58.40 ? 420 VAL c C 1 ? ? +36920 ATOM C C B VAL W 19 402 ? -6.687 36.020 3.166 0.60 58.29 ? 420 VAL c C 1 ? ? +36921 ATOM O O A VAL W 19 402 ? -7.035 36.708 4.125 0.40 58.99 ? 420 VAL c O 1 ? ? +36922 ATOM O O B VAL W 19 402 ? -6.970 36.632 4.192 0.60 58.88 ? 420 VAL c O 1 ? ? +36923 ATOM C CB A VAL W 19 402 ? -4.369 35.207 3.527 0.40 57.74 ? 420 VAL c CB 1 ? ? +36924 ATOM C CB B VAL W 19 402 ? -4.318 35.217 3.493 0.60 57.63 ? 420 VAL c CB 1 ? ? +36925 ATOM C CG1 A VAL W 19 402 ? -5.070 33.920 3.952 0.40 57.42 ? 420 VAL c CG1 1 ? ? +36926 ATOM C CG1 B VAL W 19 402 ? -4.962 33.888 3.891 0.60 57.27 ? 420 VAL c CG1 1 ? ? +36927 ATOM C CG2 A VAL W 19 402 ? -3.049 34.908 2.836 0.40 57.28 ? 420 VAL c CG2 1 ? ? +36928 ATOM C CG2 B VAL W 19 402 ? -2.993 34.985 2.794 0.60 57.19 ? 420 VAL c CG2 1 ? ? +36929 ATOM N N A SER W 19 403 ? -7.587 35.317 2.438 0.40 58.13 ? 421 SER c N 1 ? ? +36930 ATOM N N B SER W 19 403 ? -7.571 35.296 2.473 0.60 57.99 ? 421 SER c N 1 ? ? +36931 ATOM C CA A SER W 19 403 ? -8.995 35.254 2.791 0.40 58.40 ? 421 SER c CA 1 ? ? +36932 ATOM C CA B SER W 19 403 ? -8.977 35.265 2.832 0.60 58.25 ? 421 SER c CA 1 ? ? +36933 ATOM C C A SER W 19 403 ? -9.189 34.768 4.223 0.40 58.48 ? 421 SER c C 1 ? ? +36934 ATOM C C B SER W 19 403 ? -9.173 34.775 4.261 0.60 58.30 ? 421 SER c C 1 ? ? +36935 ATOM O O A SER W 19 403 ? -8.504 33.851 4.671 0.40 58.04 ? 421 SER c O 1 ? ? +36936 ATOM O O B SER W 19 403 ? -8.478 33.866 4.710 0.60 57.86 ? 421 SER c O 1 ? ? +36937 ATOM C CB A SER W 19 403 ? -9.742 34.335 1.832 0.40 58.04 ? 421 SER c CB 1 ? ? +36938 ATOM C CB B SER W 19 403 ? -9.762 34.370 1.888 0.60 57.92 ? 421 SER c CB 1 ? ? +36939 ATOM O OG A SER W 19 403 ? -11.110 34.223 2.191 0.40 58.46 ? 421 SER c OG 1 ? ? +36940 ATOM O OG B SER W 19 403 ? -11.143 34.421 2.208 0.60 58.41 ? 421 SER c OG 1 ? ? +36941 ATOM N N A PRO W 19 404 ? -10.119 35.381 4.988 0.40 59.04 ? 422 PRO c N 1 ? ? +36942 ATOM N N B PRO W 19 404 ? -10.119 35.370 5.021 0.60 58.84 ? 422 PRO c N 1 ? ? +36943 ATOM C CA A PRO W 19 404 ? -10.525 34.840 6.287 0.40 59.17 ? 422 PRO c CA 1 ? ? +36944 ATOM C CA B PRO W 19 404 ? -10.531 34.815 6.311 0.60 58.95 ? 422 PRO c CA 1 ? ? +36945 ATOM C C A PRO W 19 404 ? -10.958 33.376 6.234 0.40 58.66 ? 422 PRO c C 1 ? ? +36946 ATOM C C B PRO W 19 404 ? -10.930 33.342 6.248 0.60 58.40 ? 422 PRO c C 1 ? ? +36947 ATOM O O A PRO W 19 404 ? -10.750 32.634 7.190 0.40 58.54 ? 422 PRO c O 1 ? ? +36948 ATOM O O B PRO W 19 404 ? -10.716 32.602 7.206 0.60 58.27 ? 422 PRO c O 1 ? ? +36949 ATOM C CB A PRO W 19 404 ? -11.686 35.751 6.690 0.40 59.91 ? 422 PRO c CB 1 ? ? +36950 ATOM C CB B PRO W 19 404 ? -11.719 35.701 6.697 0.60 59.69 ? 422 PRO c CB 1 ? ? +36951 ATOM C CG A PRO W 19 404 ? -11.439 37.037 5.952 0.40 60.21 ? 422 PRO c CG 1 ? ? +36952 ATOM C CG B PRO W 19 404 ? -11.483 36.992 5.978 0.60 60.00 ? 422 PRO c CG 1 ? ? +36953 ATOM C CD A PRO W 19 404 ? -10.793 36.648 4.657 0.40 59.63 ? 422 PRO c CD 1 ? ? +36954 ATOM C CD B PRO W 19 404 ? -10.813 36.626 4.692 0.60 59.42 ? 422 PRO c CD 1 ? ? +36955 ATOM N N A ARG W 19 405 ? -11.561 32.969 5.110 0.40 58.37 ? 423 ARG c N 1 ? ? +36956 ATOM N N B ARG W 19 405 ? -11.511 32.931 5.113 0.60 58.10 ? 423 ARG c N 1 ? ? +36957 ATOM C CA A ARG W 19 405 ? -11.999 31.595 4.934 0.40 57.93 ? 423 ARG c CA 1 ? ? +36958 ATOM C CA B ARG W 19 405 ? -11.940 31.555 4.921 0.60 57.66 ? 423 ARG c CA 1 ? ? +36959 ATOM C C A ARG W 19 405 ? -10.818 30.629 4.974 0.40 57.28 ? 423 ARG c C 1 ? ? +36960 ATOM C C B ARG W 19 405 ? -10.768 30.577 4.879 0.60 56.99 ? 423 ARG c C 1 ? ? +36961 ATOM O O A ARG W 19 405 ? -10.923 29.558 5.566 0.40 57.08 ? 423 ARG c O 1 ? ? +36962 ATOM O O B ARG W 19 405 ? -10.891 29.463 5.382 0.60 56.76 ? 423 ARG c O 1 ? ? +36963 ATOM C CB A ARG W 19 405 ? -12.772 31.433 3.621 0.40 57.82 ? 423 ARG c CB 1 ? ? +36964 ATOM C CB B ARG W 19 405 ? -12.776 31.421 3.644 0.60 57.57 ? 423 ARG c CB 1 ? ? +36965 ATOM C CG A ARG W 19 405 ? -14.031 32.279 3.567 0.40 58.48 ? 423 ARG c CG 1 ? ? +36966 ATOM C CG B ARG W 19 405 ? -14.108 32.169 3.709 0.60 58.25 ? 423 ARG c CG 1 ? ? +36967 ATOM C CD A ARG W 19 405 ? -14.961 31.855 2.452 0.40 58.39 ? 423 ARG c CD 1 ? ? +36968 ATOM C CD B ARG W 19 405 ? -15.025 31.792 2.561 0.60 58.16 ? 423 ARG c CD 1 ? ? +36969 ATOM N NE A ARG W 19 405 ? -16.141 32.709 2.384 0.40 59.06 ? 423 ARG c NE 1 ? ? +36970 ATOM N NE B ARG W 19 405 ? -16.188 32.670 2.480 0.60 58.83 ? 423 ARG c NE 1 ? ? +36971 ATOM C CZ A ARG W 19 405 ? -17.341 32.371 2.834 0.40 59.39 ? 423 ARG c CZ 1 ? ? +36972 ATOM C CZ B ARG W 19 405 ? -17.418 32.347 2.855 0.60 59.16 ? 423 ARG c CZ 1 ? ? +36973 ATOM N NH1 A ARG W 19 405 ? -17.531 31.267 3.537 0.40 59.20 ? 423 ARG c NH1 1 ? ? +36974 ATOM N NH1 B ARG W 19 405 ? -17.668 31.247 3.545 0.60 58.99 ? 423 ARG c NH1 1 ? ? +36975 ATOM N NH2 A ARG W 19 405 ? -18.375 33.163 2.578 0.40 60.00 ? 423 ARG c NH2 1 ? ? +36976 ATOM N NH2 B ARG W 19 405 ? -18.423 33.161 2.544 0.60 59.77 ? 423 ARG c NH2 1 ? ? +36977 ATOM N N A SER W 19 406 ? -9.698 31.018 4.350 0.40 56.99 ? 424 SER c N 1 ? ? +36978 ATOM N N B SER W 19 406 ? -9.643 30.994 4.277 0.60 56.72 ? 424 SER c N 1 ? ? +36979 ATOM C CA A SER W 19 406 ? -8.487 30.211 4.378 0.40 56.41 ? 424 SER c CA 1 ? ? +36980 ATOM C CA B SER W 19 406 ? -8.413 30.212 4.320 0.60 56.15 ? 424 SER c CA 1 ? ? +36981 ATOM C C A SER W 19 406 ? -7.875 30.121 5.772 0.40 56.51 ? 424 SER c C 1 ? ? +36982 ATOM C C B SER W 19 406 ? -7.898 30.073 5.749 0.60 56.27 ? 424 SER c C 1 ? ? +36983 ATOM O O A SER W 19 406 ? -7.507 29.039 6.220 0.40 56.18 ? 424 SER c O 1 ? ? +36984 ATOM O O B SER W 19 406 ? -7.707 28.960 6.228 0.60 55.97 ? 424 SER c O 1 ? ? +36985 ATOM C CB A SER W 19 406 ? -7.451 30.747 3.398 0.40 56.18 ? 424 SER c CB 1 ? ? +36986 ATOM C CB B SER W 19 406 ? -7.322 30.819 3.439 0.60 55.97 ? 424 SER c CB 1 ? ? +36987 ATOM O OG A SER W 19 406 ? -7.720 30.289 2.085 0.40 55.79 ? 424 SER c OG 1 ? ? +36988 ATOM O OG B SER W 19 406 ? -7.467 30.471 2.072 0.60 55.58 ? 424 SER c OG 1 ? ? +36989 ATOM N N A TRP W 19 407 ? -7.768 31.267 6.453 0.40 57.04 ? 425 TRP c N 1 ? ? +36990 ATOM N N B TRP W 19 407 ? -7.689 31.214 6.419 0.60 56.79 ? 425 TRP c N 1 ? ? +36991 ATOM C CA A TRP W 19 407 ? -7.268 31.293 7.818 0.40 57.25 ? 425 TRP c CA 1 ? ? +36992 ATOM C CA B TRP W 19 407 ? -7.243 31.242 7.806 0.60 57.03 ? 425 TRP c CA 1 ? ? +36993 ATOM C C A TRP W 19 407 ? -8.096 30.392 8.732 0.40 57.28 ? 425 TRP c C 1 ? ? +36994 ATOM C C B TRP W 19 407 ? -8.101 30.378 8.728 0.60 57.10 ? 425 TRP c C 1 ? ? +36995 ATOM O O A TRP W 19 407 ? -7.545 29.621 9.513 0.40 57.13 ? 425 TRP c O 1 ? ? +36996 ATOM O O B TRP W 19 407 ? -7.572 29.640 9.558 0.60 57.03 ? 425 TRP c O 1 ? ? +36997 ATOM C CB A TRP W 19 407 ? -7.256 32.724 8.377 0.40 57.90 ? 425 TRP c CB 1 ? ? +36998 ATOM C CB B TRP W 19 407 ? -7.236 32.684 8.350 0.60 57.69 ? 425 TRP c CB 1 ? ? +36999 ATOM C CG A TRP W 19 407 ? -6.177 33.610 7.830 0.40 57.91 ? 425 TRP c CG 1 ? ? +37000 ATOM C CG B TRP W 19 407 ? -6.161 33.569 7.807 0.60 57.70 ? 425 TRP c CG 1 ? ? +37001 ATOM C CD1 A TRP W 19 407 ? -6.340 34.829 7.248 0.40 58.27 ? 425 TRP c CD1 1 ? ? +37002 ATOM C CD1 B TRP W 19 407 ? -6.324 34.777 7.202 0.60 58.06 ? 425 TRP c CD1 1 ? ? +37003 ATOM C CD2 A TRP W 19 407 ? -4.765 33.355 7.838 0.40 57.57 ? 425 TRP c CD2 1 ? ? +37004 ATOM C CD2 B TRP W 19 407 ? -4.751 33.329 7.851 0.60 57.39 ? 425 TRP c CD2 1 ? ? +37005 ATOM N NE1 A TRP W 19 407 ? -5.120 35.348 6.885 0.40 58.18 ? 425 TRP c NE1 1 ? ? +37006 ATOM N NE1 B TRP W 19 407 ? -5.103 35.299 6.851 0.60 57.98 ? 425 TRP c NE1 1 ? ? +37007 ATOM C CE2 A TRP W 19 407 ? -4.135 34.462 7.235 0.40 57.76 ? 425 TRP c CE2 1 ? ? +37008 ATOM C CE2 B TRP W 19 407 ? -4.119 34.430 7.240 0.60 57.56 ? 425 TRP c CE2 1 ? ? +37009 ATOM C CE3 A TRP W 19 407 ? -3.972 32.296 8.291 0.40 57.19 ? 425 TRP c CE3 1 ? ? +37010 ATOM C CE3 B TRP W 19 407 ? -3.960 32.285 8.337 0.60 57.00 ? 425 TRP c CE3 1 ? ? +37011 ATOM C CZ2 A TRP W 19 407 ? -2.754 34.539 7.073 0.40 57.57 ? 425 TRP c CZ2 1 ? ? +37012 ATOM C CZ2 B TRP W 19 407 ? -2.740 34.515 7.104 0.60 57.37 ? 425 TRP c CZ2 1 ? ? +37013 ATOM C CZ3 A TRP W 19 407 ? -2.602 32.376 8.130 0.40 57.00 ? 425 TRP c CZ3 1 ? ? +37014 ATOM C CZ3 B TRP W 19 407 ? -2.589 32.373 8.202 0.60 56.83 ? 425 TRP c CZ3 1 ? ? +37015 ATOM C CH2 A TRP W 19 407 ? -2.008 33.485 7.526 0.40 57.19 ? 425 TRP c CH2 1 ? ? +37016 ATOM C CH2 B TRP W 19 407 ? -1.994 33.476 7.590 0.60 57.02 ? 425 TRP c CH2 1 ? ? +37017 ATOM N N A LEU W 19 408 ? -9.426 30.489 8.622 0.40 57.49 ? 426 LEU c N 1 ? ? +37018 ATOM N N B LEU W 19 408 ? -9.428 30.483 8.576 0.60 57.30 ? 426 LEU c N 1 ? ? +37019 ATOM C CA A LEU W 19 408 ? -10.317 29.769 9.514 0.40 57.62 ? 426 LEU c CA 1 ? ? +37020 ATOM C CA B LEU W 19 408 ? -10.363 29.785 9.442 0.60 57.45 ? 426 LEU c CA 1 ? ? +37021 ATOM C C A LEU W 19 408 ? -10.343 28.272 9.215 0.40 57.00 ? 426 LEU c C 1 ? ? +37022 ATOM C C B LEU W 19 408 ? -10.470 28.297 9.128 0.60 56.86 ? 426 LEU c C 1 ? ? +37023 ATOM O O A LEU W 19 408 ? -10.323 27.459 10.136 0.40 56.99 ? 426 LEU c O 1 ? ? +37024 ATOM O O B LEU W 19 408 ? -10.634 27.492 10.040 0.60 56.88 ? 426 LEU c O 1 ? ? +37025 ATOM C CB A LEU W 19 408 ? -11.722 30.377 9.421 0.40 58.15 ? 426 LEU c CB 1 ? ? +37026 ATOM C CB B LEU W 19 408 ? -11.748 30.435 9.342 0.60 57.98 ? 426 LEU c CB 1 ? ? +37027 ATOM C CG A LEU W 19 408 ? -11.856 31.722 10.119 0.40 58.84 ? 426 LEU c CG 1 ? ? +37028 ATOM C CG B LEU W 19 408 ? -11.886 31.725 10.120 0.60 58.67 ? 426 LEU c CG 1 ? ? +37029 ATOM C CD1 A LEU W 19 408 ? -13.161 32.361 9.807 0.40 59.34 ? 426 LEU c CD1 1 ? ? +37030 ATOM C CD1 B LEU W 19 408 ? -13.192 32.388 9.841 0.60 59.21 ? 426 LEU c CD1 1 ? ? +37031 ATOM C CD2 A LEU W 19 408 ? -11.722 31.578 11.617 0.40 59.17 ? 426 LEU c CD2 1 ? ? +37032 ATOM C CD2 B LEU W 19 408 ? -11.767 31.484 11.606 0.60 58.97 ? 426 LEU c CD2 1 ? ? +37033 ATOM N N A ALA W 19 409 ? -10.362 27.914 7.927 0.40 56.51 ? 427 ALA c N 1 ? ? +37034 ATOM N N B ALA W 19 409 ? -10.385 27.942 7.841 0.60 56.35 ? 427 ALA c N 1 ? ? +37035 ATOM C CA A ALA W 19 409 ? -10.435 26.518 7.526 0.40 55.96 ? 427 ALA c CA 1 ? ? +37036 ATOM C CA B ALA W 19 409 ? -10.444 26.549 7.429 0.60 55.81 ? 427 ALA c CA 1 ? ? +37037 ATOM C C A ALA W 19 409 ? -9.155 25.753 7.858 0.40 55.52 ? 427 ALA c C 1 ? ? +37038 ATOM C C B ALA W 19 409 ? -9.180 25.790 7.830 0.60 55.41 ? 427 ALA c C 1 ? ? +37039 ATOM O O A ALA W 19 409 ? -9.218 24.643 8.387 0.40 55.36 ? 427 ALA c O 1 ? ? +37040 ATOM O O B ALA W 19 409 ? -9.269 24.722 8.435 0.60 55.28 ? 427 ALA c O 1 ? ? +37041 ATOM C CB A ALA W 19 409 ? -10.740 26.411 6.040 0.40 55.62 ? 427 ALA c CB 1 ? ? +37042 ATOM C CB B ALA W 19 409 ? -10.669 26.448 5.929 0.60 55.45 ? 427 ALA c CB 1 ? ? +37043 ATOM N N A THR W 19 410 ? -8.000 26.352 7.539 0.40 55.36 ? 428 THR c N 1 ? ? +37044 ATOM N N B THR W 19 410 ? -8.011 26.356 7.500 0.60 55.25 ? 428 THR c N 1 ? ? +37045 ATOM C CA A THR W 19 410 ? -6.715 25.707 7.757 0.40 54.99 ? 428 THR c CA 1 ? ? +37046 ATOM C CA B THR W 19 410 ? -6.742 25.698 7.756 0.60 54.90 ? 428 THR c CA 1 ? ? +37047 ATOM C C A THR W 19 410 ? -6.444 25.511 9.244 0.40 55.31 ? 428 THR c C 1 ? ? +37048 ATOM C C B THR W 19 410 ? -6.517 25.493 9.248 0.60 55.24 ? 428 THR c C 1 ? ? +37049 ATOM O O A THR W 19 410 ? -6.077 24.422 9.671 0.40 55.03 ? 428 THR c O 1 ? ? +37050 ATOM O O B THR W 19 410 ? -6.266 24.371 9.679 0.60 54.98 ? 428 THR c O 1 ? ? +37051 ATOM C CB A THR W 19 410 ? -5.568 26.496 7.099 0.40 54.87 ? 428 THR c CB 1 ? ? +37052 ATOM C CB B THR W 19 410 ? -5.567 26.472 7.146 0.60 54.78 ? 428 THR c CB 1 ? ? +37053 ATOM O OG1 A THR W 19 410 ? -5.532 27.829 7.613 0.40 55.45 ? 428 THR c OG1 1 ? ? +37054 ATOM O OG1 B THR W 19 410 ? -5.518 27.792 7.693 0.60 55.38 ? 428 THR c OG1 1 ? ? +37055 ATOM C CG2 A THR W 19 410 ? -5.693 26.544 5.595 0.40 54.53 ? 428 THR c CG2 1 ? ? +37056 ATOM C CG2 B THR W 19 410 ? -5.647 26.541 5.639 0.60 54.44 ? 428 THR c CG2 1 ? ? +37057 ATOM N N . SER W 19 411 ? -6.620 26.585 10.018 1.00 55.93 ? 429 SER c N 1 ? ? +37058 ATOM C CA . SER W 19 411 ? -6.484 26.535 11.465 1.00 56.39 ? 429 SER c CA 1 ? ? +37059 ATOM C CB . SER W 19 411 ? -6.892 27.865 12.082 1.00 57.13 ? 429 SER c CB 1 ? ? +37060 ATOM O OG . SER W 19 411 ? -8.291 28.060 11.962 1.00 57.39 ? 429 SER c OG 1 ? ? +37061 ATOM C C . SER W 19 411 ? -7.324 25.429 12.097 1.00 56.37 ? 429 SER c C 1 ? ? +37062 ATOM O O . SER W 19 411 ? -6.819 24.657 12.913 1.00 56.33 ? 429 SER c O 1 ? ? +37063 ATOM N N . HIS W 19 412 ? -8.604 25.348 11.704 1.00 56.37 ? 430 HIS c N 1 ? ? +37064 ATOM C CA . HIS W 19 412 ? -9.508 24.390 12.315 1.00 56.41 ? 430 HIS c CA 1 ? ? +37065 ATOM C CB . HIS W 19 412 ? -10.955 24.873 12.182 1.00 56.77 ? 430 HIS c CB 1 ? ? +37066 ATOM C CG . HIS W 19 412 ? -11.200 25.969 13.166 1.00 57.36 ? 430 HIS c CG 1 ? ? +37067 ATOM N ND1 . HIS W 19 412 ? -10.925 27.278 12.860 1.00 57.56 ? 430 HIS c ND1 1 ? ? +37068 ATOM C CE1 . HIS W 19 412 ? -11.150 27.964 13.961 1.00 58.12 ? 430 HIS c CE1 1 ? ? +37069 ATOM N NE2 . HIS W 19 412 ? -11.533 27.155 14.951 1.00 58.31 ? 430 HIS c NE2 1 ? ? +37070 ATOM C CD2 . HIS W 19 412 ? -11.532 25.884 14.466 1.00 57.78 ? 430 HIS c CD2 1 ? ? +37071 ATOM C C . HIS W 19 412 ? -9.320 22.954 11.840 1.00 55.89 ? 430 HIS c C 1 ? ? +37072 ATOM O O . HIS W 19 412 ? -9.692 22.027 12.553 1.00 55.93 ? 430 HIS c O 1 ? ? +37073 ATOM N N A PHE W 19 413 ? -8.708 22.771 10.662 0.40 55.42 ? 431 PHE c N 1 ? ? +37074 ATOM N N B PHE W 19 413 ? -8.764 22.767 10.641 0.60 55.44 ? 431 PHE c N 1 ? ? +37075 ATOM C CA A PHE W 19 413 ? -8.367 21.433 10.207 0.40 54.92 ? 431 PHE c CA 1 ? ? +37076 ATOM C CA B PHE W 19 413 ? -8.382 21.429 10.221 0.60 54.94 ? 431 PHE c CA 1 ? ? +37077 ATOM C C A PHE W 19 413 ? -7.179 20.905 11.007 0.40 54.83 ? 431 PHE c C 1 ? ? +37078 ATOM C C B PHE W 19 413 ? -7.220 20.930 11.077 0.60 54.89 ? 431 PHE c C 1 ? ? +37079 ATOM O O A PHE W 19 413 ? -7.149 19.730 11.368 0.40 54.69 ? 431 PHE c O 1 ? ? +37080 ATOM O O B PHE W 19 413 ? -7.259 19.799 11.560 0.60 54.83 ? 431 PHE c O 1 ? ? +37081 ATOM C CB A PHE W 19 413 ? -8.036 21.367 8.707 0.40 54.41 ? 431 PHE c CB 1 ? ? +37082 ATOM C CB B PHE W 19 413 ? -8.016 21.355 8.735 0.60 54.42 ? 431 PHE c CB 1 ? ? +37083 ATOM C CG A PHE W 19 413 ? -7.849 19.938 8.247 0.40 53.86 ? 431 PHE c CG 1 ? ? +37084 ATOM C CG B PHE W 19 413 ? -7.823 19.928 8.281 0.60 53.87 ? 431 PHE c CG 1 ? ? +37085 ATOM C CD1 A PHE W 19 413 ? -6.630 19.295 8.401 0.40 53.50 ? 431 PHE c CD1 1 ? ? +37086 ATOM C CD1 B PHE W 19 413 ? -6.579 19.321 8.352 0.60 53.49 ? 431 PHE c CD1 1 ? ? +37087 ATOM C CD2 A PHE W 19 413 ? -8.906 19.220 7.733 0.40 53.76 ? 431 PHE c CD2 1 ? ? +37088 ATOM C CD2 B PHE W 19 413 ? -8.896 19.175 7.839 0.60 53.77 ? 431 PHE c CD2 1 ? ? +37089 ATOM C CE1 A PHE W 19 413 ? -6.474 17.976 8.006 0.40 53.04 ? 431 PHE c CE1 1 ? ? +37090 ATOM C CE1 B PHE W 19 413 ? -6.413 18.001 7.956 0.60 53.01 ? 431 PHE c CE1 1 ? ? +37091 ATOM C CE2 A PHE W 19 413 ? -8.744 17.900 7.339 0.40 53.30 ? 431 PHE c CE2 1 ? ? +37092 ATOM C CE2 B PHE W 19 413 ? -8.724 17.856 7.445 0.60 53.29 ? 431 PHE c CE2 1 ? ? +37093 ATOM C CZ A PHE W 19 413 ? -7.539 17.283 7.490 0.40 52.94 ? 431 PHE c CZ 1 ? ? +37094 ATOM C CZ B PHE W 19 413 ? -7.491 17.277 7.506 0.60 52.92 ? 431 PHE c CZ 1 ? ? +37095 ATOM N N . VAL W 19 414 ? -6.207 21.788 11.273 1.00 54.98 ? 432 VAL c N 1 ? ? +37096 ATOM C CA . VAL W 19 414 ? -5.024 21.424 12.036 1.00 54.93 ? 432 VAL c CA 1 ? ? +37097 ATOM C CB . VAL W 19 414 ? -3.964 22.566 12.030 1.00 55.12 ? 432 VAL c CB 1 ? ? +37098 ATOM C CG1 . VAL W 19 414 ? -2.924 22.394 13.148 1.00 55.27 ? 432 VAL c CG1 1 ? ? +37099 ATOM C CG2 . VAL W 19 414 ? -3.288 22.688 10.660 1.00 54.62 ? 432 VAL c CG2 1 ? ? +37100 ATOM C C . VAL W 19 414 ? -5.423 21.053 13.458 1.00 55.40 ? 432 VAL c C 1 ? ? +37101 ATOM O O . VAL W 19 414 ? -5.021 20.024 13.985 1.00 55.23 ? 432 VAL c O 1 ? ? +37102 ATOM N N . LEU W 19 415 ? -6.223 21.910 14.081 1.00 56.07 ? 433 LEU c N 1 ? ? +37103 ATOM C CA . LEU W 19 415 ? -6.715 21.628 15.414 1.00 56.66 ? 433 LEU c CA 1 ? ? +37104 ATOM C CB . LEU W 19 415 ? -7.511 22.834 15.909 1.00 57.31 ? 433 LEU c CB 1 ? ? +37105 ATOM C CG . LEU W 19 415 ? -6.680 24.085 16.146 1.00 57.56 ? 433 LEU c CG 1 ? ? +37106 ATOM C CD1 . LEU W 19 415 ? -7.526 25.197 16.641 1.00 58.18 ? 433 LEU c CD1 1 ? ? +37107 ATOM C CD2 . LEU W 19 415 ? -5.555 23.832 17.147 1.00 57.66 ? 433 LEU c CD2 1 ? ? +37108 ATOM C C . LEU W 19 415 ? -7.557 20.352 15.447 1.00 56.65 ? 433 LEU c C 1 ? ? +37109 ATOM O O . LEU W 19 415 ? -7.348 19.503 16.311 1.00 56.80 ? 433 LEU c O 1 ? ? +37110 ATOM N N . ALA W 19 416 ? -8.481 20.195 14.490 1.00 56.53 ? 434 ALA c N 1 ? ? +37111 ATOM C CA . ALA W 19 416 ? -9.345 19.023 14.464 1.00 56.49 ? 434 ALA c CA 1 ? ? +37112 ATOM C CB . ALA W 19 416 ? -10.355 19.124 13.322 1.00 56.35 ? 434 ALA c CB 1 ? ? +37113 ATOM C C . ALA W 19 416 ? -8.529 17.737 14.339 1.00 56.02 ? 434 ALA c C 1 ? ? +37114 ATOM O O . ALA W 19 416 ? -8.838 16.726 14.974 1.00 56.03 ? 434 ALA c O 1 ? ? +37115 ATOM N N . PHE W 19 417 ? -7.486 17.787 13.503 1.00 55.62 ? 435 PHE c N 1 ? ? +37116 ATOM C CA . PHE W 19 417 ? -6.633 16.633 13.284 1.00 55.22 ? 435 PHE c CA 1 ? ? +37117 ATOM C CB . PHE W 19 417 ? -5.599 16.900 12.201 1.00 54.84 ? 435 PHE c CB 1 ? ? +37118 ATOM C CG . PHE W 19 417 ? -4.614 15.769 12.139 1.00 54.56 ? 435 PHE c CG 1 ? ? +37119 ATOM C CD1 . PHE W 19 417 ? -4.991 14.534 11.655 1.00 54.28 ? 435 PHE c CD1 1 ? ? +37120 ATOM C CD2 . PHE W 19 417 ? -3.334 15.916 12.647 1.00 54.64 ? 435 PHE c CD2 1 ? ? +37121 ATOM C CE1 . PHE W 19 417 ? -4.098 13.478 11.638 1.00 54.02 ? 435 PHE c CE1 1 ? ? +37122 ATOM C CE2 . PHE W 19 417 ? -2.432 14.856 12.624 1.00 54.36 ? 435 PHE c CE2 1 ? ? +37123 ATOM C CZ . PHE W 19 417 ? -2.815 13.644 12.118 1.00 54.04 ? 435 PHE c CZ 1 ? ? +37124 ATOM C C . PHE W 19 417 ? -5.924 16.216 14.569 1.00 55.42 ? 435 PHE c C 1 ? ? +37125 ATOM O O . PHE W 19 417 ? -5.947 15.047 14.941 1.00 55.25 ? 435 PHE c O 1 ? ? +37126 ATOM N N . PHE W 19 418 ? -5.295 17.181 15.242 1.00 55.85 ? 436 PHE c N 1 ? ? +37127 ATOM C CA . PHE W 19 418 ? -4.563 16.891 16.464 1.00 56.20 ? 436 PHE c CA 1 ? ? +37128 ATOM C CB . PHE W 19 418 ? -3.745 18.104 16.931 1.00 56.68 ? 436 PHE c CB 1 ? ? +37129 ATOM C CG . PHE W 19 418 ? -2.394 18.172 16.259 1.00 56.44 ? 436 PHE c CG 1 ? ? +37130 ATOM C CD1 . PHE W 19 418 ? -1.466 17.159 16.429 1.00 56.30 ? 436 PHE c CD1 1 ? ? +37131 ATOM C CD2 . PHE W 19 418 ? -2.060 19.236 15.445 1.00 56.42 ? 436 PHE c CD2 1 ? ? +37132 ATOM C CE1 . PHE W 19 418 ? -0.238 17.204 15.793 1.00 56.10 ? 436 PHE c CE1 1 ? ? +37133 ATOM C CE2 . PHE W 19 418 ? -0.823 19.280 14.819 1.00 56.19 ? 436 PHE c CE2 1 ? ? +37134 ATOM C CZ . PHE W 19 418 ? 0.079 18.261 14.997 1.00 55.99 ? 436 PHE c CZ 1 ? ? +37135 ATOM C C . PHE W 19 418 ? -5.481 16.415 17.581 1.00 56.60 ? 436 PHE c C 1 ? ? +37136 ATOM O O . PHE W 19 418 ? -5.067 15.589 18.389 1.00 56.56 ? 436 PHE c O 1 ? ? +37137 ATOM N N . PHE W 19 419 ? -6.725 16.925 17.605 1.00 56.92 ? 437 PHE c N 1 ? ? +37138 ATOM C CA . PHE W 19 419 ? -7.707 16.491 18.585 1.00 57.32 ? 437 PHE c CA 1 ? ? +37139 ATOM C CB . PHE W 19 419 ? -8.888 17.476 18.668 1.00 57.88 ? 437 PHE c CB 1 ? ? +37140 ATOM C CG . PHE W 19 419 ? -8.594 18.532 19.701 1.00 58.47 ? 437 PHE c CG 1 ? ? +37141 ATOM C CD1 . PHE W 19 419 ? -7.535 19.406 19.537 1.00 58.47 ? 437 PHE c CD1 1 ? ? +37142 ATOM C CD2 . PHE W 19 419 ? -9.312 18.593 20.872 1.00 59.10 ? 437 PHE c CD2 1 ? ? +37143 ATOM C CE1 . PHE W 19 419 ? -7.234 20.351 20.506 1.00 58.99 ? 437 PHE c CE1 1 ? ? +37144 ATOM C CE2 . PHE W 19 419 ? -9.010 19.537 21.834 1.00 59.71 ? 437 PHE c CE2 1 ? ? +37145 ATOM C CZ . PHE W 19 419 ? -7.969 20.411 21.645 1.00 59.61 ? 437 PHE c CZ 1 ? ? +37146 ATOM C C . PHE W 19 419 ? -8.163 15.058 18.331 1.00 56.96 ? 437 PHE c C 1 ? ? +37147 ATOM O O . PHE W 19 419 ? -8.473 14.340 19.274 1.00 57.29 ? 437 PHE c O 1 ? ? +37148 ATOM N N . LEU W 19 420 ? -8.148 14.624 17.070 1.00 56.38 ? 438 LEU c N 1 ? ? +37149 ATOM C CA . LEU W 19 420 ? -8.393 13.223 16.770 1.00 56.13 ? 438 LEU c CA 1 ? ? +37150 ATOM C CB . LEU W 19 420 ? -8.569 12.974 15.270 1.00 55.69 ? 438 LEU c CB 1 ? ? +37151 ATOM C CG . LEU W 19 420 ? -8.884 11.521 14.898 1.00 55.46 ? 438 LEU c CG 1 ? ? +37152 ATOM C CD1 . LEU W 19 420 ? -10.292 11.124 15.351 1.00 55.93 ? 438 LEU c CD1 1 ? ? +37153 ATOM C CD2 . LEU W 19 420 ? -8.733 11.300 13.429 1.00 54.93 ? 438 LEU c CD2 1 ? ? +37154 ATOM C C . LEU W 19 420 ? -7.253 12.356 17.297 1.00 55.89 ? 438 LEU c C 1 ? ? +37155 ATOM O O . LEU W 19 420 ? -7.510 11.307 17.889 1.00 56.02 ? 438 LEU c O 1 ? ? +37156 ATOM N N . VAL W 19 421 ? -6.002 12.800 17.085 1.00 55.49 ? 439 VAL c N 1 ? ? +37157 ATOM C CA . VAL W 19 421 ? -4.847 12.106 17.631 1.00 55.25 ? 439 VAL c CA 1 ? ? +37158 ATOM C CB . VAL W 19 421 ? -3.521 12.760 17.196 1.00 54.96 ? 439 VAL c CB 1 ? ? +37159 ATOM C CG1 . VAL W 19 421 ? -2.339 12.201 17.984 1.00 55.01 ? 439 VAL c CG1 1 ? ? +37160 ATOM C CG2 . VAL W 19 421 ? -3.297 12.601 15.702 1.00 54.34 ? 439 VAL c CG2 1 ? ? +37161 ATOM C C . VAL W 19 421 ? -4.941 12.028 19.151 1.00 55.82 ? 439 VAL c C 1 ? ? +37162 ATOM O O . VAL W 19 421 ? -4.660 10.989 19.739 1.00 55.90 ? 439 VAL c O 1 ? ? +37163 ATOM N N . GLY W 19 422 ? -5.317 13.142 19.783 1.00 56.28 ? 440 GLY c N 1 ? ? +37164 ATOM C CA . GLY W 19 422 ? -5.524 13.174 21.220 1.00 56.90 ? 440 GLY c CA 1 ? ? +37165 ATOM C C . GLY W 19 422 ? -6.576 12.169 21.683 1.00 57.12 ? 440 GLY c C 1 ? ? +37166 ATOM O O . GLY W 19 422 ? -6.393 11.503 22.706 1.00 57.53 ? 440 GLY c O 1 ? ? +37167 ATOM N N . HIS W 19 423 ? -7.669 12.063 20.913 1.00 56.89 ? 441 HIS c N 1 ? ? +37168 ATOM C CA . HIS W 19 423 ? -8.694 11.068 21.177 1.00 56.93 ? 441 HIS c CA 1 ? ? +37169 ATOM C CB . HIS W 19 423 ? -9.838 11.151 20.152 1.00 56.71 ? 441 HIS c CB 1 ? ? +37170 ATOM C CG . HIS W 19 423 ? -10.725 9.948 20.221 1.00 56.69 ? 441 HIS c CG 1 ? ? +37171 ATOM N ND1 . HIS W 19 423 ? -11.526 9.718 21.310 1.00 57.25 ? 441 HIS c ND1 1 ? ? +37172 ATOM C CE1 . HIS W 19 423 ? -12.123 8.564 21.083 1.00 57.18 ? 441 HIS c CE1 1 ? ? +37173 ATOM N NE2 . HIS W 19 423 ? -11.730 8.048 19.923 1.00 56.54 ? 441 HIS c NE2 1 ? ? +37174 ATOM C CD2 . HIS W 19 423 ? -10.841 8.917 19.369 1.00 56.20 ? 441 HIS c CD2 1 ? ? +37175 ATOM C C . HIS W 19 423 ? -8.097 9.664 21.180 1.00 56.56 ? 441 HIS c C 1 ? ? +37176 ATOM O O . HIS W 19 423 ? -8.274 8.916 22.131 1.00 56.88 ? 441 HIS c O 1 ? ? +37177 ATOM N N . LEU W 19 424 ? -7.385 9.308 20.110 1.00 55.97 ? 442 LEU c N 1 ? ? +37178 ATOM C CA . LEU W 19 424 ? -6.734 8.008 20.030 1.00 55.72 ? 442 LEU c CA 1 ? ? +37179 ATOM C CB . LEU W 19 424 ? -5.914 7.884 18.738 1.00 55.15 ? 442 LEU c CB 1 ? ? +37180 ATOM C CG . LEU W 19 424 ? -6.704 7.872 17.440 1.00 54.88 ? 442 LEU c CG 1 ? ? +37181 ATOM C CD1 . LEU W 19 424 ? -5.767 7.882 16.250 1.00 54.25 ? 442 LEU c CD1 1 ? ? +37182 ATOM C CD2 . LEU W 19 424 ? -7.630 6.668 17.368 1.00 54.93 ? 442 LEU c CD2 1 ? ? +37183 ATOM C C . LEU W 19 424 ? -5.798 7.745 21.204 1.00 55.94 ? 442 LEU c C 1 ? ? +37184 ATOM O O . LEU W 19 424 ? -5.781 6.644 21.749 1.00 56.07 ? 442 LEU c O 1 ? ? +37185 ATOM N N A TRP W 19 425 ? -5.011 8.766 21.566 0.40 56.07 ? 443 TRP c N 1 ? ? +37186 ATOM N N B TRP W 19 425 ? -5.027 8.764 21.583 0.60 56.09 ? 443 TRP c N 1 ? ? +37187 ATOM C CA A TRP W 19 425 ? -4.050 8.663 22.652 0.40 56.36 ? 443 TRP c CA 1 ? ? +37188 ATOM C CA B TRP W 19 425 ? -4.060 8.627 22.657 0.60 56.37 ? 443 TRP c CA 1 ? ? +37189 ATOM C C A TRP W 19 425 ? -4.730 8.366 23.984 0.40 56.98 ? 443 TRP c C 1 ? ? +37190 ATOM C C B TRP W 19 425 ? -4.745 8.351 23.992 0.60 56.99 ? 443 TRP c C 1 ? ? +37191 ATOM O O A TRP W 19 425 ? -4.385 7.403 24.662 0.40 57.12 ? 443 TRP c O 1 ? ? +37192 ATOM O O B TRP W 19 425 ? -4.420 7.387 24.684 0.60 57.15 ? 443 TRP c O 1 ? ? +37193 ATOM C CB A TRP W 19 425 ? -3.228 9.953 22.770 0.40 56.47 ? 443 TRP c CB 1 ? ? +37194 ATOM C CB B TRP W 19 425 ? -3.187 9.885 22.742 0.60 56.48 ? 443 TRP c CB 1 ? ? +37195 ATOM C CG A TRP W 19 425 ? -2.210 9.909 23.862 0.40 56.82 ? 443 TRP c CG 1 ? ? +37196 ATOM C CG B TRP W 19 425 ? -2.199 9.836 23.848 0.60 56.84 ? 443 TRP c CG 1 ? ? +37197 ATOM C CD1 A TRP W 19 425 ? -2.385 10.243 25.171 0.40 57.50 ? 443 TRP c CD1 1 ? ? +37198 ATOM C CD1 B TRP W 19 425 ? -2.419 10.110 25.162 0.60 57.53 ? 443 TRP c CD1 1 ? ? +37199 ATOM C CD2 A TRP W 19 425 ? -0.861 9.463 23.739 0.40 56.58 ? 443 TRP c CD2 1 ? ? +37200 ATOM C CD2 B TRP W 19 425 ? -0.844 9.430 23.741 0.60 56.64 ? 443 TRP c CD2 1 ? ? +37201 ATOM N NE1 A TRP W 19 425 ? -1.218 10.050 25.867 0.40 57.68 ? 443 TRP c NE1 1 ? ? +37202 ATOM N NE1 B TRP W 19 425 ? -1.264 9.933 25.878 0.60 57.73 ? 443 TRP c NE1 1 ? ? +37203 ATOM C CE2 A TRP W 19 425 ? -0.265 9.569 25.011 0.40 57.12 ? 443 TRP c CE2 1 ? ? +37204 ATOM C CE2 B TRP W 19 425 ? -0.279 9.509 25.029 0.60 57.20 ? 443 TRP c CE2 1 ? ? +37205 ATOM C CE3 A TRP W 19 425 ? -0.087 9.003 22.670 0.40 55.97 ? 443 TRP c CE3 1 ? ? +37206 ATOM C CE3 B TRP W 19 425 ? -0.035 9.031 22.673 0.60 56.05 ? 443 TRP c CE3 1 ? ? +37207 ATOM C CZ2 A TRP W 19 425 ? 1.064 9.230 25.240 0.40 57.07 ? 443 TRP c CZ2 1 ? ? +37208 ATOM C CZ2 B TRP W 19 425 ? 1.054 9.201 25.275 0.60 57.17 ? 443 TRP c CZ2 1 ? ? +37209 ATOM C CZ3 A TRP W 19 425 ? 1.231 8.666 22.901 0.40 55.90 ? 443 TRP c CZ3 1 ? ? +37210 ATOM C CZ3 B TRP W 19 425 ? 1.287 8.725 22.919 0.60 55.99 ? 443 TRP c CZ3 1 ? ? +37211 ATOM C CH2 A TRP W 19 425 ? 1.792 8.779 24.172 0.40 56.45 ? 443 TRP c CH2 1 ? ? +37212 ATOM C CH2 B TRP W 19 425 ? 1.817 8.807 24.207 0.60 56.56 ? 443 TRP c CH2 1 ? ? +37213 ATOM N N . HIS W 19 426 ? -5.694 9.215 24.351 1.00 57.38 ? 444 HIS c N 1 ? ? +37214 ATOM C CA . HIS W 19 426 ? -6.385 9.082 25.622 1.00 58.02 ? 444 HIS c CA 1 ? ? +37215 ATOM C CB . HIS W 19 426 ? -7.056 10.400 25.974 1.00 58.50 ? 444 HIS c CB 1 ? ? +37216 ATOM C CG . HIS W 19 426 ? -6.070 11.439 26.411 1.00 58.64 ? 444 HIS c CG 1 ? ? +37217 ATOM N ND1 . HIS W 19 426 ? -5.312 11.266 27.549 1.00 59.03 ? 444 HIS c ND1 1 ? ? +37218 ATOM C CE1 . HIS W 19 426 ? -4.556 12.342 27.650 1.00 59.10 ? 444 HIS c CE1 1 ? ? +37219 ATOM N NE2 . HIS W 19 426 ? -4.783 13.179 26.638 1.00 58.77 ? 444 HIS c NE2 1 ? ? +37220 ATOM C CD2 . HIS W 19 426 ? -5.738 12.613 25.839 1.00 58.48 ? 444 HIS c CD2 1 ? ? +37221 ATOM C C . HIS W 19 426 ? -7.365 7.909 25.672 1.00 58.02 ? 444 HIS c C 1 ? ? +37222 ATOM O O . HIS W 19 426 ? -7.505 7.280 26.715 1.00 58.55 ? 444 HIS c O 1 ? ? +37223 ATOM N N . ALA W 19 427 ? -8.023 7.590 24.554 1.00 57.49 ? 445 ALA c N 1 ? ? +37224 ATOM C CA . ALA W 19 427 ? -8.939 6.460 24.517 1.00 57.45 ? 445 ALA c CA 1 ? ? +37225 ATOM C CB . ALA W 19 427 ? -9.725 6.436 23.216 1.00 57.05 ? 445 ALA c CB 1 ? ? +37226 ATOM C C . ALA W 19 427 ? -8.180 5.151 24.694 1.00 57.13 ? 445 ALA c C 1 ? ? +37227 ATOM O O . ALA W 19 427 ? -8.620 4.267 25.426 1.00 57.44 ? 445 ALA c O 1 ? ? +37228 ATOM N N . GLY W 19 428 ? -7.038 5.040 24.004 1.00 56.46 ? 446 GLY c N 1 ? ? +37229 ATOM C CA . GLY W 19 428 ? -6.193 3.866 24.120 1.00 56.19 ? 446 GLY c CA 1 ? ? +37230 ATOM C C . GLY W 19 428 ? -5.668 3.680 25.540 1.00 56.72 ? 446 GLY c C 1 ? ? +37231 ATOM O O . GLY W 19 428 ? -5.618 2.557 26.045 1.00 56.88 ? 446 GLY c O 1 ? ? +37232 ATOM N N . ARG W 19 429 ? -5.280 4.799 26.164 1.00 57.02 ? 447 ARG c N 1 ? ? +37233 ATOM C CA . ARG W 19 429 ? -4.713 4.787 27.501 1.00 57.58 ? 447 ARG c CA 1 ? ? +37234 ATOM C CB . ARG W 19 429 ? -3.987 6.111 27.787 1.00 57.79 ? 447 ARG c CB 1 ? ? +37235 ATOM C CG . ARG W 19 429 ? -2.995 5.999 28.955 1.00 58.26 ? 447 ARG c CG 1 ? ? +37236 ATOM C CD . ARG W 19 429 ? -2.416 7.334 29.375 1.00 58.55 ? 447 ARG c CD 1 ? ? +37237 ATOM N NE . ARG W 19 429 ? -1.499 7.198 30.500 1.00 59.02 ? 447 ARG c NE 1 ? ? +37238 ATOM C CZ . ARG W 19 429 ? -1.864 6.995 31.758 1.00 59.73 ? 447 ARG c CZ 1 ? ? +37239 ATOM N NH1 . ARG W 19 429 ? -3.123 7.115 32.146 1.00 60.10 ? 447 ARG c NH1 1 ? ? +37240 ATOM N NH2 . ARG W 19 429 ? -0.936 6.684 32.657 1.00 60.12 ? 447 ARG c NH2 1 ? ? +37241 ATOM C C . ARG W 19 429 ? -5.769 4.537 28.573 1.00 58.21 ? 447 ARG c C 1 ? ? +37242 ATOM O O . ARG W 19 429 ? -5.504 3.863 29.564 1.00 58.62 ? 447 ARG c O 1 ? ? +37243 ATOM N N . ALA W 19 430 ? -6.961 5.100 28.376 1.00 58.31 ? 448 ALA c N 1 ? ? +37244 ATOM C CA . ALA W 19 430 ? -8.066 4.874 29.286 1.00 58.94 ? 448 ALA c CA 1 ? ? +37245 ATOM C CB . ALA W 19 430 ? -9.266 5.661 28.832 1.00 59.04 ? 448 ALA c CB 1 ? ? +37246 ATOM C C . ALA W 19 430 ? -8.384 3.385 29.354 1.00 58.91 ? 448 ALA c C 1 ? ? +37247 ATOM O O . ALA W 19 430 ? -8.516 2.819 30.436 1.00 59.40 ? 448 ALA c O 1 ? ? +37248 ATOM N N . ARG W 19 431 ? -8.482 2.765 28.177 1.00 58.35 ? 449 ARG c N 1 ? ? +37249 ATOM C CA . ARG W 19 431 ? -8.715 1.335 28.062 1.00 58.34 ? 449 ARG c CA 1 ? ? +37250 ATOM C CB . ARG W 19 431 ? -8.781 0.919 26.581 1.00 57.63 ? 449 ARG c CB 1 ? ? +37251 ATOM C CG . ARG W 19 431 ? -10.152 1.064 25.936 1.00 57.68 ? 449 ARG c CG 1 ? ? +37252 ATOM C CD . ARG W 19 431 ? -11.013 -0.164 26.197 1.00 58.04 ? 449 ARG c CD 1 ? ? +37253 ATOM N NE . ARG W 19 431 ? -12.341 -0.064 25.591 1.00 58.11 ? 449 ARG c NE 1 ? ? +37254 ATOM C CZ . ARG W 19 431 ? -12.894 -0.977 24.797 1.00 57.84 ? 449 ARG c CZ 1 ? ? +37255 ATOM N NH1 . ARG W 19 431 ? -12.428 -2.209 24.716 1.00 57.68 ? 449 ARG c NH1 1 ? ? +37256 ATOM N NH2 . ARG W 19 431 ? -13.953 -0.645 24.073 1.00 57.86 ? 449 ARG c NH2 1 ? ? +37257 ATOM C C . ARG W 19 431 ? -7.641 0.523 28.779 1.00 58.49 ? 449 ARG c C 1 ? ? +37258 ATOM O O . ARG W 19 431 ? -7.963 -0.349 29.581 1.00 58.90 ? 449 ARG c O 1 ? ? +37259 ATOM N N . ALA W 19 432 ? -6.364 0.826 28.492 1.00 58.20 ? 450 ALA c N 1 ? ? +37260 ATOM C CA . ALA W 19 432 ? -5.252 0.081 29.065 1.00 58.33 ? 450 ALA c CA 1 ? ? +37261 ATOM C CB . ALA W 19 432 ? -3.958 0.498 28.404 1.00 57.81 ? 450 ALA c CB 1 ? ? +37262 ATOM C C . ALA W 19 432 ? -5.143 0.243 30.581 1.00 59.23 ? 450 ALA c C 1 ? ? +37263 ATOM O O . ALA W 19 432 ? -4.830 -0.717 31.287 1.00 59.53 ? 450 ALA c O 1 ? ? +37264 ATOM N N . ALA W 19 433 ? -5.410 1.459 31.075 1.00 59.75 ? 451 ALA c N 1 ? ? +37265 ATOM C CA . ALA W 19 433 ? -5.364 1.740 32.502 1.00 60.72 ? 451 ALA c CA 1 ? ? +37266 ATOM C CB . ALA W 19 433 ? -5.407 3.239 32.744 1.00 60.92 ? 451 ALA c CB 1 ? ? +37267 ATOM C C . ALA W 19 433 ? -6.476 1.048 33.288 1.00 61.50 ? 451 ALA c C 1 ? ? +37268 ATOM O O . ALA W 19 433 ? -6.234 0.540 34.378 1.00 62.10 ? 451 ALA c O 1 ? ? +37269 ATOM N N . ALA W 19 434 ? -7.690 1.025 32.727 1.00 61.61 ? 452 ALA c N 1 ? ? +37270 ATOM C CA . ALA W 19 434 ? -8.812 0.350 33.363 1.00 62.36 ? 452 ALA c CA 1 ? ? +37271 ATOM C CB . ALA W 19 434 ? -10.110 0.638 32.611 1.00 62.25 ? 452 ALA c CB 1 ? ? +37272 ATOM C C . ALA W 19 434 ? -8.575 -1.157 33.457 1.00 62.50 ? 452 ALA c C 1 ? ? +37273 ATOM O O . ALA W 19 434 ? -8.979 -1.791 34.423 1.00 63.32 ? 452 ALA c O 1 ? ? +37274 ATOM N N . ALA W 19 435 ? -7.920 -1.728 32.445 1.00 61.96 ? 453 ALA c N 1 ? ? +37275 ATOM C CA . ALA W 19 435 ? -7.623 -3.152 32.436 1.00 62.05 ? 453 ALA c CA 1 ? ? +37276 ATOM C CB . ALA W 19 435 ? -7.514 -3.651 31.010 1.00 61.27 ? 453 ALA c CB 1 ? ? +37277 ATOM C C . ALA W 19 435 ? -6.338 -3.449 33.205 1.00 62.35 ? 453 ALA c C 1 ? ? +37278 ATOM O O . ALA W 19 435 ? -6.052 -4.598 33.536 1.00 62.62 ? 453 ALA c O 1 ? ? +37279 ATOM N N . GLY W 19 436 ? -5.555 -2.398 33.462 1.00 62.42 ? 454 GLY c N 1 ? ? +37280 ATOM C CA . GLY W 19 436 ? -4.436 -2.478 34.382 1.00 62.78 ? 454 GLY c CA 1 ? ? +37281 ATOM C C . GLY W 19 436 ? -3.092 -2.870 33.775 1.00 62.24 ? 454 GLY c C 1 ? ? +37282 ATOM O O . GLY W 19 436 ? -2.296 -3.512 34.446 1.00 62.57 ? 454 GLY c O 1 ? ? +37283 ATOM N N A PHE W 19 437 ? -2.842 -2.469 32.521 0.40 61.57 ? 455 PHE c N 1 ? ? +37284 ATOM N N B PHE W 19 437 ? -2.848 -2.483 32.518 0.60 61.50 ? 455 PHE c N 1 ? ? +37285 ATOM C CA A PHE W 19 437 ? -1.552 -2.707 31.890 0.40 61.07 ? 455 PHE c CA 1 ? ? +37286 ATOM C CA B PHE W 19 437 ? -1.554 -2.705 31.889 0.60 60.96 ? 455 PHE c CA 1 ? ? +37287 ATOM C C A PHE W 19 437 ? -1.036 -1.504 31.099 0.40 60.57 ? 455 PHE c C 1 ? ? +37288 ATOM C C B PHE W 19 437 ? -1.031 -1.493 31.115 0.60 60.43 ? 455 PHE c C 1 ? ? +37289 ATOM O O A PHE W 19 437 ? -0.322 -1.666 30.111 0.40 59.97 ? 455 PHE c O 1 ? ? +37290 ATOM O O B PHE W 19 437 ? -0.252 -1.647 30.176 0.60 59.86 ? 455 PHE c O 1 ? ? +37291 ATOM C CB A PHE W 19 437 ? -1.614 -3.975 31.005 0.40 60.65 ? 455 PHE c CB 1 ? ? +37292 ATOM C CB B PHE W 19 437 ? -1.610 -3.963 30.987 0.60 60.52 ? 455 PHE c CB 1 ? ? +37293 ATOM C CG A PHE W 19 437 ? -2.789 -4.095 30.058 0.40 60.37 ? 455 PHE c CG 1 ? ? +37294 ATOM C CG B PHE W 19 437 ? -2.771 -4.081 30.018 0.60 60.22 ? 455 PHE c CG 1 ? ? +37295 ATOM C CD1 A PHE W 19 437 ? -2.818 -3.391 28.867 0.40 59.72 ? 455 PHE c CD1 1 ? ? +37296 ATOM C CD1 B PHE W 19 437 ? -2.800 -3.341 28.847 0.60 59.58 ? 455 PHE c CD1 1 ? ? +37297 ATOM C CD2 A PHE W 19 437 ? -3.863 -4.917 30.361 0.40 60.78 ? 455 PHE c CD2 1 ? ? +37298 ATOM C CD2 B PHE W 19 437 ? -3.826 -4.946 30.277 0.60 60.60 ? 455 PHE c CD2 1 ? ? +37299 ATOM C CE1 A PHE W 19 437 ? -3.897 -3.507 27.999 0.40 59.48 ? 455 PHE c CE1 1 ? ? +37300 ATOM C CE1 B PHE W 19 437 ? -3.864 -3.462 27.956 0.60 59.32 ? 455 PHE c CE1 1 ? ? +37301 ATOM C CE2 A PHE W 19 437 ? -4.937 -5.035 29.489 0.40 60.50 ? 455 PHE c CE2 1 ? ? +37302 ATOM C CE2 B PHE W 19 437 ? -4.885 -5.067 29.385 0.60 60.30 ? 455 PHE c CE2 1 ? ? +37303 ATOM C CZ A PHE W 19 437 ? -4.951 -4.327 28.316 0.40 59.86 ? 455 PHE c CZ 1 ? ? +37304 ATOM C CZ B PHE W 19 437 ? -4.901 -4.323 28.232 0.60 59.69 ? 455 PHE c CZ 1 ? ? +37305 ATOM N N A GLU W 19 438 ? -1.343 -0.294 31.580 0.40 60.91 ? 456 GLU c N 1 ? ? +37306 ATOM N N B GLU W 19 438 ? -1.401 -0.285 31.558 0.60 60.71 ? 456 GLU c N 1 ? ? +37307 ATOM C CA A GLU W 19 438 ? -0.918 0.921 30.905 0.40 60.55 ? 456 GLU c CA 1 ? ? +37308 ATOM C CA B GLU W 19 438 ? -0.941 0.935 30.913 0.60 60.36 ? 456 GLU c CA 1 ? ? +37309 ATOM C C A GLU W 19 438 ? 0.557 1.226 31.168 0.40 60.72 ? 456 GLU c C 1 ? ? +37310 ATOM C C B GLU W 19 438 ? 0.548 1.201 31.159 0.60 60.52 ? 456 GLU c C 1 ? ? +37311 ATOM O O A GLU W 19 438 ? 1.159 2.038 30.468 0.40 60.25 ? 456 GLU c O 1 ? ? +37312 ATOM O O B GLU W 19 438 ? 1.181 1.933 30.402 0.60 60.00 ? 456 GLU c O 1 ? ? +37313 ATOM C CB A GLU W 19 438 ? -1.791 2.118 31.326 0.40 60.83 ? 456 GLU c CB 1 ? ? +37314 ATOM C CB B GLU W 19 438 ? -1.804 2.145 31.346 0.60 60.60 ? 456 GLU c CB 1 ? ? +37315 ATOM C CG A GLU W 19 438 ? -1.404 2.796 32.636 0.40 61.47 ? 456 GLU c CG 1 ? ? +37316 ATOM C CG B GLU W 19 438 ? -1.490 2.792 32.693 0.60 61.24 ? 456 GLU c CG 1 ? ? +37317 ATOM C CD A GLU W 19 438 ? -1.826 2.092 33.914 0.40 62.14 ? 456 GLU c CD 1 ? ? +37318 ATOM C CD B GLU W 19 438 ? -1.959 2.062 33.935 0.60 61.88 ? 456 GLU c CD 1 ? ? +37319 ATOM O OE1 A GLU W 19 438 ? -2.326 0.948 33.837 0.40 62.11 ? 456 GLU c OE1 1 ? ? +37320 ATOM O OE1 B GLU W 19 438 ? -2.410 0.904 33.808 0.60 61.80 ? 456 GLU c OE1 1 ? ? +37321 ATOM O OE2 A GLU W 19 438 ? -1.665 2.696 35.000 0.40 62.72 ? 456 GLU c OE2 1 ? ? +37322 ATOM O OE2 B GLU W 19 438 ? -1.887 2.653 35.036 0.60 62.44 ? 456 GLU c OE2 1 ? ? +37323 ATOM N N A LYS W 19 439 ? 1.131 0.568 32.180 0.40 61.44 ? 457 LYS c N 1 ? ? +37324 ATOM N N B LYS W 19 439 ? 1.109 0.604 32.216 0.60 61.31 ? 457 LYS c N 1 ? ? +37325 ATOM C CA A LYS W 19 439 ? 2.523 0.787 32.544 0.40 61.78 ? 457 LYS c CA 1 ? ? +37326 ATOM C CA B LYS W 19 439 ? 2.511 0.806 32.549 0.60 61.68 ? 457 LYS c CA 1 ? ? +37327 ATOM C C A LYS W 19 439 ? 3.457 -0.295 32.011 0.40 61.56 ? 457 LYS c C 1 ? ? +37328 ATOM C C B LYS W 19 439 ? 3.433 -0.271 31.979 0.60 61.45 ? 457 LYS c C 1 ? ? +37329 ATOM O O A LYS W 19 439 ? 4.662 -0.233 32.235 0.40 61.71 ? 457 LYS c O 1 ? ? +37330 ATOM O O B LYS W 19 439 ? 4.642 -0.195 32.160 0.60 61.61 ? 457 LYS c O 1 ? ? +37331 ATOM C CB A LYS W 19 439 ? 2.691 0.851 34.066 0.40 62.71 ? 457 LYS c CB 1 ? ? +37332 ATOM C CB B LYS W 19 439 ? 2.702 0.842 34.069 0.60 62.64 ? 457 LYS c CB 1 ? ? +37333 ATOM C CG A LYS W 19 439 ? 1.859 1.923 34.736 0.40 63.28 ? 457 LYS c CG 1 ? ? +37334 ATOM C CG B LYS W 19 439 ? 1.822 1.845 34.790 0.60 63.27 ? 457 LYS c CG 1 ? ? +37335 ATOM C CD A LYS W 19 439 ? 2.241 2.123 36.179 0.40 64.20 ? 457 LYS c CD 1 ? ? +37336 ATOM C CD B LYS W 19 439 ? 2.256 2.030 36.220 0.60 64.21 ? 457 LYS c CD 1 ? ? +37337 ATOM C CE A LYS W 19 439 ? 1.249 2.979 36.908 0.40 64.83 ? 457 LYS c CE 1 ? ? +37338 ATOM C CE B LYS W 19 439 ? 1.302 2.888 36.995 0.60 64.90 ? 457 LYS c CE 1 ? ? +37339 ATOM N NZ A LYS W 19 439 ? 0.055 2.192 37.280 0.40 65.21 ? 457 LYS c NZ 1 ? ? +37340 ATOM N NZ B LYS W 19 439 ? 0.086 2.129 37.360 0.60 65.31 ? 457 LYS c NZ 1 ? ? +37341 ATOM N N A GLY W 19 440 ? 2.897 -1.293 31.320 0.40 61.36 ? 458 GLY c N 1 ? ? +37342 ATOM N N B GLY W 19 440 ? 2.865 -1.281 31.312 0.60 61.27 ? 458 GLY c N 1 ? ? +37343 ATOM C CA A GLY W 19 440 ? 3.696 -2.343 30.709 0.40 61.06 ? 458 GLY c CA 1 ? ? +37344 ATOM C CA B GLY W 19 440 ? 3.659 -2.315 30.668 0.60 60.97 ? 458 GLY c CA 1 ? ? +37345 ATOM C C A GLY W 19 440 ? 3.197 -3.751 31.020 0.40 61.40 ? 458 GLY c C 1 ? ? +37346 ATOM C C B GLY W 19 440 ? 3.183 -3.726 30.997 0.60 61.33 ? 458 GLY c C 1 ? ? +37347 ATOM O O A GLY W 19 440 ? 2.249 -3.929 31.782 0.40 61.85 ? 458 GLY c O 1 ? ? +37348 ATOM O O B GLY W 19 440 ? 2.243 -3.909 31.769 0.60 61.77 ? 458 GLY c O 1 ? ? +37349 ATOM N N A ILE W 19 441 ? 3.861 -4.741 30.414 0.40 61.24 ? 459 ILE c N 1 ? ? +37350 ATOM N N B ILE W 19 441 ? 3.858 -4.712 30.398 0.60 61.19 ? 459 ILE c N 1 ? ? +37351 ATOM C CA A ILE W 19 441 ? 3.539 -6.143 30.614 0.40 61.61 ? 459 ILE c CA 1 ? ? +37352 ATOM C CA B ILE W 19 441 ? 3.531 -6.115 30.578 0.60 61.58 ? 459 ILE c CA 1 ? ? +37353 ATOM C C A ILE W 19 441 ? 4.179 -6.661 31.897 0.40 62.65 ? 459 ILE c C 1 ? ? +37354 ATOM C C B ILE W 19 441 ? 4.179 -6.644 31.854 0.60 62.68 ? 459 ILE c C 1 ? ? +37355 ATOM O O A ILE W 19 441 ? 5.369 -6.455 32.120 0.40 62.77 ? 459 ILE c O 1 ? ? +37356 ATOM O O B ILE W 19 441 ? 5.360 -6.408 32.085 0.60 62.83 ? 459 ILE c O 1 ? ? +37357 ATOM C CB A ILE W 19 441 ? 4.006 -6.959 29.394 0.40 60.86 ? 459 ILE c CB 1 ? ? +37358 ATOM C CB B ILE W 19 441 ? 3.989 -6.908 29.342 0.60 60.81 ? 459 ILE c CB 1 ? ? +37359 ATOM C CG1 A ILE W 19 441 ? 3.320 -6.469 28.112 0.40 60.17 ? 459 ILE c CG1 1 ? ? +37360 ATOM C CG1 B ILE W 19 441 ? 3.264 -6.419 28.084 0.60 60.11 ? 459 ILE c CG1 1 ? ? +37361 ATOM C CG2 A ILE W 19 441 ? 3.805 -8.462 29.619 0.40 61.04 ? 459 ILE c CG2 1 ? ? +37362 ATOM C CG2 B ILE W 19 441 ? 3.820 -8.413 29.545 0.60 60.96 ? 459 ILE c CG2 1 ? ? +37363 ATOM C CD1 A ILE W 19 441 ? 3.993 -6.924 26.857 0.40 59.48 ? 459 ILE c CD1 1 ? ? +37364 ATOM C CD1 B ILE W 19 441 ? 3.897 -6.872 26.805 0.60 59.43 ? 459 ILE c CD1 1 ? ? +37365 ATOM N N A ASP W 19 442 ? 3.373 -7.328 32.729 0.40 63.59 ? 460 ASP c N 1 ? ? +37366 ATOM N N B ASP W 19 442 ? 3.399 -7.360 32.672 0.60 63.69 ? 460 ASP c N 1 ? ? +37367 ATOM C CA A ASP W 19 442 ? 3.870 -8.004 33.915 0.40 64.61 ? 460 ASP c CA 1 ? ? +37368 ATOM C CA B ASP W 19 442 ? 3.925 -7.986 33.872 0.60 64.81 ? 460 ASP c CA 1 ? ? +37369 ATOM C C A ASP W 19 442 ? 4.744 -9.179 33.481 0.40 64.59 ? 460 ASP c C 1 ? ? +37370 ATOM C C B ASP W 19 442 ? 4.779 -9.187 33.472 0.60 64.80 ? 460 ASP c C 1 ? ? +37371 ATOM O O A ASP W 19 442 ? 4.297 -10.051 32.737 0.40 64.34 ? 460 ASP c O 1 ? ? +37372 ATOM O O B ASP W 19 442 ? 4.301 -10.083 32.779 0.60 64.63 ? 460 ASP c O 1 ? ? +37373 ATOM C CB A ASP W 19 442 ? 2.694 -8.474 34.786 0.40 65.34 ? 460 ASP c CB 1 ? ? +37374 ATOM C CB B ASP W 19 442 ? 2.800 -8.430 34.808 0.60 65.67 ? 460 ASP c CB 1 ? ? +37375 ATOM C CG A ASP W 19 442 ? 3.093 -9.122 36.093 0.40 66.26 ? 460 ASP c CG 1 ? ? +37376 ATOM C CG B ASP W 19 442 ? 3.313 -8.997 36.113 0.60 66.68 ? 460 ASP c CG 1 ? ? +37377 ATOM O OD1 A ASP W 19 442 ? 4.306 -9.117 36.411 0.40 66.48 ? 460 ASP c OD1 1 ? ? +37378 ATOM O OD1 B ASP W 19 442 ? 3.689 -8.195 37.003 0.60 67.27 ? 460 ASP c OD1 1 ? ? +37379 ATOM O OD2 A ASP W 19 442 ? 2.187 -9.626 36.807 0.40 66.86 ? 460 ASP c OD2 1 ? ? +37380 ATOM O OD2 B ASP W 19 442 ? 3.372 -10.244 36.236 0.60 67.06 ? 460 ASP c OD2 1 ? ? +37381 ATOM N N A ARG W 19 443 ? 6.001 -9.183 33.937 0.40 65.00 ? 461 ARG c N 1 ? ? +37382 ATOM N N B ARG W 19 443 ? 6.042 -9.195 33.910 0.60 65.14 ? 461 ARG c N 1 ? ? +37383 ATOM C CA A ARG W 19 443 ? 6.963 -10.188 33.516 0.40 64.90 ? 461 ARG c CA 1 ? ? +37384 ATOM C CA B ARG W 19 443 ? 6.985 -10.227 33.505 0.60 64.99 ? 461 ARG c CA 1 ? ? +37385 ATOM C C A ARG W 19 443 ? 6.562 -11.594 33.955 0.40 65.50 ? 461 ARG c C 1 ? ? +37386 ATOM C C B ARG W 19 443 ? 6.532 -11.618 33.941 0.60 65.54 ? 461 ARG c C 1 ? ? +37387 ATOM O O A ARG W 19 443 ? 6.746 -12.553 33.207 0.40 65.13 ? 461 ARG c O 1 ? ? +37388 ATOM O O B ARG W 19 443 ? 6.633 -12.568 33.170 0.60 65.17 ? 461 ARG c O 1 ? ? +37389 ATOM C CB A ARG W 19 443 ? 8.359 -9.870 34.066 0.40 65.12 ? 461 ARG c CB 1 ? ? +37390 ATOM C CB B ARG W 19 443 ? 8.384 -9.935 34.073 0.60 65.22 ? 461 ARG c CB 1 ? ? +37391 ATOM C CG A ARG W 19 443 ? 8.994 -8.632 33.477 0.40 64.65 ? 461 ARG c CG 1 ? ? +37392 ATOM C CG B ARG W 19 443 ? 9.039 -8.704 33.488 0.60 64.73 ? 461 ARG c CG 1 ? ? +37393 ATOM C CD A ARG W 19 443 ? 10.429 -8.486 33.936 0.40 64.88 ? 461 ARG c CD 1 ? ? +37394 ATOM C CD B ARG W 19 443 ? 10.476 -8.553 33.947 0.60 64.96 ? 461 ARG c CD 1 ? ? +37395 ATOM N NE A ARG W 19 443 ? 11.091 -7.362 33.283 0.40 64.41 ? 461 ARG c NE 1 ? ? +37396 ATOM N NE B ARG W 19 443 ? 11.130 -7.419 33.300 0.60 64.48 ? 461 ARG c NE 1 ? ? +37397 ATOM C CZ A ARG W 19 443 ? 11.926 -7.478 32.261 0.40 63.74 ? 461 ARG c CZ 1 ? ? +37398 ATOM C CZ B ARG W 19 443 ? 11.955 -7.508 32.262 0.60 63.78 ? 461 ARG c CZ 1 ? ? +37399 ATOM N NH1 A ARG W 19 443 ? 12.206 -8.655 31.726 0.40 63.43 ? 461 ARG c NH1 1 ? ? +37400 ATOM N NH1 B ARG W 19 443 ? 12.247 -8.672 31.705 0.60 63.46 ? 461 ARG c NH1 1 ? ? +37401 ATOM N NH2 A ARG W 19 443 ? 12.483 -6.383 31.752 0.40 63.42 ? 461 ARG c NH2 1 ? ? +37402 ATOM N NH2 B ARG W 19 443 ? 12.483 -6.396 31.757 0.60 63.45 ? 461 ARG c NH2 1 ? ? +37403 ATOM N N . GLU W 19 444 ? 6.006 -11.713 35.167 0.50 66.57 ? 462 GLU c N 1 ? ? +37404 ATOM C CA A GLU W 19 444 ? 5.654 -13.021 35.702 0.50 67.38 ? 462 GLU c CA 1 ? ? +37405 ATOM C CA B GLU W 19 444 ? 5.612 -12.979 35.763 0.50 67.35 ? 462 GLU c CA 1 ? ? +37406 ATOM C C . GLU W 19 444 ? 4.312 -13.540 35.196 0.50 67.16 ? 462 GLU c C 1 ? ? +37407 ATOM O O . GLU W 19 444 ? 3.950 -14.675 35.483 0.50 67.32 ? 462 GLU c O 1 ? ? +37408 ATOM C CB A GLU W 19 444 ? 5.659 -13.014 37.245 0.50 68.71 ? 462 GLU c CB 1 ? ? +37409 ATOM C CB B GLU W 19 444 ? 5.423 -12.816 37.283 0.50 68.54 ? 462 GLU c CB 1 ? ? +37410 ATOM C CG A GLU W 19 444 ? 6.973 -13.523 37.858 0.50 69.30 ? 462 GLU c CG 1 ? ? +37411 ATOM C CG B GLU W 19 444 ? 6.654 -12.328 38.028 0.50 69.07 ? 462 GLU c CG 1 ? ? +37412 ATOM C CD A GLU W 19 444 ? 8.235 -12.864 37.337 0.50 69.13 ? 462 GLU c CD 1 ? ? +37413 ATOM C CD B GLU W 19 444 ? 6.629 -12.617 39.517 0.50 70.18 ? 462 GLU c CD 1 ? ? +37414 ATOM O OE1 A GLU W 19 444 ? 8.420 -11.654 37.596 0.50 69.50 ? 462 GLU c OE1 1 ? ? +37415 ATOM O OE1 B GLU W 19 444 ? 6.749 -13.805 39.898 0.50 70.72 ? 462 GLU c OE1 1 ? ? +37416 ATOM O OE2 A GLU W 19 444 ? 9.027 -13.550 36.649 0.50 68.88 ? 462 GLU c OE2 1 ? ? +37417 ATOM O OE2 B GLU W 19 444 ? 6.478 -11.656 40.305 0.50 70.64 ? 462 GLU c OE2 1 ? ? +37418 ATOM N N . SER W 19 445 ? 3.593 -12.713 34.437 1.00 66.88 ? 463 SER c N 1 ? ? +37419 ATOM C CA . SER W 19 445 ? 2.275 -13.083 33.958 1.00 66.73 ? 463 SER c CA 1 ? ? +37420 ATOM C CB . SER W 19 445 ? 1.232 -12.581 34.945 1.00 67.54 ? 463 SER c CB 1 ? ? +37421 ATOM O OG . SER W 19 445 ? -0.008 -13.191 34.643 1.00 68.02 ? 463 SER c OG 1 ? ? +37422 ATOM C C . SER W 19 445 ? 1.998 -12.534 32.561 1.00 65.82 ? 463 SER c C 1 ? ? +37423 ATOM O O . SER W 19 445 ? 0.934 -11.971 32.312 1.00 66.26 ? 463 SER c O 1 ? ? +37424 ATOM N N A GLU W 19 446 ? 2.974 -12.700 31.663 0.40 65.10 ? 464 GLU c N 1 ? ? +37425 ATOM N N B GLU W 19 446 ? 2.962 -12.714 31.652 0.60 65.07 ? 464 GLU c N 1 ? ? +37426 ATOM C CA A GLU W 19 446 ? 2.862 -12.211 30.299 0.40 64.15 ? 464 GLU c CA 1 ? ? +37427 ATOM C CA B GLU W 19 446 ? 2.865 -12.200 30.296 0.60 64.09 ? 464 GLU c CA 1 ? ? +37428 ATOM C C A GLU W 19 446 ? 1.783 -12.976 29.532 0.40 63.84 ? 464 GLU c C 1 ? ? +37429 ATOM C C B GLU W 19 446 ? 1.801 -12.963 29.510 0.60 63.81 ? 464 GLU c C 1 ? ? +37430 ATOM O O A GLU W 19 446 ? 1.939 -14.167 29.269 0.40 63.91 ? 464 GLU c O 1 ? ? +37431 ATOM O O B GLU W 19 446 ? 2.000 -14.134 29.196 0.60 63.90 ? 464 GLU c O 1 ? ? +37432 ATOM C CB A GLU W 19 446 ? 4.211 -12.339 29.593 0.40 63.60 ? 464 GLU c CB 1 ? ? +37433 ATOM C CB B GLU W 19 446 ? 4.232 -12.312 29.606 0.60 63.49 ? 464 GLU c CB 1 ? ? +37434 ATOM C CG A GLU W 19 446 ? 4.180 -11.894 28.150 0.40 62.74 ? 464 GLU c CG 1 ? ? +37435 ATOM C CG B GLU W 19 446 ? 4.262 -11.853 28.161 0.60 62.59 ? 464 GLU c CG 1 ? ? +37436 ATOM C CD A GLU W 19 446 ? 5.547 -11.706 27.522 0.40 62.32 ? 464 GLU c CD 1 ? ? +37437 ATOM C CD B GLU W 19 446 ? 5.642 -11.833 27.529 0.60 62.15 ? 464 GLU c CD 1 ? ? +37438 ATOM O OE1 A GLU W 19 446 ? 6.563 -12.000 28.193 0.40 62.72 ? 464 GLU c OE1 1 ? ? +37439 ATOM O OE1 B GLU W 19 446 ? 6.622 -12.235 28.197 0.60 62.60 ? 464 GLU c OE1 1 ? ? +37440 ATOM O OE2 A GLU W 19 446 ? 5.604 -11.257 26.355 0.40 61.64 ? 464 GLU c OE2 1 ? ? +37441 ATOM O OE2 B GLU W 19 446 ? 5.742 -11.411 26.356 0.60 61.40 ? 464 GLU c OE2 1 ? ? +37442 ATOM N N . PRO W 19 447 ? 0.661 -12.329 29.141 1.00 63.54 ? 465 PRO c N 1 ? ? +37443 ATOM C CA . PRO W 19 447 ? -0.443 -13.047 28.496 1.00 63.33 ? 465 PRO c CA 1 ? ? +37444 ATOM C CB . PRO W 19 447 ? -1.378 -11.913 28.037 1.00 63.10 ? 465 PRO c CB 1 ? ? +37445 ATOM C CG . PRO W 19 447 ? -1.076 -10.775 28.941 1.00 63.47 ? 465 PRO c CG 1 ? ? +37446 ATOM C CD . PRO W 19 447 ? 0.391 -10.888 29.293 1.00 63.53 ? 465 PRO c CD 1 ? ? +37447 ATOM C C . PRO W 19 447 ? -0.065 -13.959 27.325 1.00 62.55 ? 465 PRO c C 1 ? ? +37448 ATOM O O . PRO W 19 447 ? -0.542 -15.089 27.249 1.00 62.68 ? 465 PRO c O 1 ? ? +37449 ATOM N N A VAL W 19 448 ? 0.804 -13.475 26.430 0.40 61.85 ? 466 VAL c N 1 ? ? +37450 ATOM N N B VAL W 19 448 ? 0.787 -13.451 26.424 0.60 61.81 ? 466 VAL c N 1 ? ? +37451 ATOM C CA A VAL W 19 448 ? 1.144 -14.201 25.217 0.40 61.23 ? 466 VAL c CA 1 ? ? +37452 ATOM C CA B VAL W 19 448 ? 1.127 -14.154 25.196 0.60 61.17 ? 466 VAL c CA 1 ? ? +37453 ATOM C C A VAL W 19 448 ? 1.829 -15.543 25.482 0.40 61.44 ? 466 VAL c C 1 ? ? +37454 ATOM C C B VAL W 19 448 ? 1.800 -15.501 25.459 0.60 61.37 ? 466 VAL c C 1 ? ? +37455 ATOM O O A VAL W 19 448 ? 1.710 -16.465 24.676 0.40 61.18 ? 466 VAL c O 1 ? ? +37456 ATOM O O B VAL W 19 448 ? 1.681 -16.415 24.647 0.60 61.14 ? 466 VAL c O 1 ? ? +37457 ATOM C CB A VAL W 19 448 ? 1.996 -13.309 24.292 0.40 60.58 ? 466 VAL c CB 1 ? ? +37458 ATOM C CB B VAL W 19 448 ? 1.994 -13.256 24.280 0.60 60.51 ? 466 VAL c CB 1 ? ? +37459 ATOM C CG1 A VAL W 19 448 ? 2.689 -14.128 23.210 0.40 60.03 ? 466 VAL c CG1 1 ? ? +37460 ATOM C CG1 B VAL W 19 448 ? 2.742 -14.064 23.219 0.60 59.95 ? 466 VAL c CG1 1 ? ? +37461 ATOM C CG2 A VAL W 19 448 ? 1.150 -12.198 23.681 0.40 60.31 ? 466 VAL c CG2 1 ? ? +37462 ATOM C CG2 B VAL W 19 448 ? 1.145 -12.170 23.633 0.60 60.25 ? 466 VAL c CG2 1 ? ? +37463 ATOM N N A LEU W 19 449 ? 2.527 -15.657 26.618 0.40 61.93 ? 467 LEU c N 1 ? ? +37464 ATOM N N B LEU W 19 449 ? 2.495 -15.626 26.596 0.60 61.85 ? 467 LEU c N 1 ? ? +37465 ATOM C CA A LEU W 19 449 ? 3.188 -16.896 26.997 0.40 62.28 ? 467 LEU c CA 1 ? ? +37466 ATOM C CA B LEU W 19 449 ? 3.162 -16.871 26.937 0.60 62.19 ? 467 LEU c CA 1 ? ? +37467 ATOM C C A LEU W 19 449 ? 2.212 -18.007 27.378 0.40 62.93 ? 467 LEU c C 1 ? ? +37468 ATOM C C B LEU W 19 449 ? 2.163 -17.993 27.208 0.60 62.81 ? 467 LEU c C 1 ? ? +37469 ATOM O O A LEU W 19 449 ? 2.592 -19.176 27.394 0.40 63.07 ? 467 LEU c O 1 ? ? +37470 ATOM O O B LEU W 19 449 ? 2.472 -19.156 26.955 0.60 62.85 ? 467 LEU c O 1 ? ? +37471 ATOM C CB A LEU W 19 449 ? 4.140 -16.643 28.174 0.40 62.77 ? 467 LEU c CB 1 ? ? +37472 ATOM C CB B LEU W 19 449 ? 4.091 -16.655 28.146 0.60 62.70 ? 467 LEU c CB 1 ? ? +37473 ATOM C CG A LEU W 19 449 ? 5.331 -15.729 27.870 0.40 62.38 ? 467 LEU c CG 1 ? ? +37474 ATOM C CG B LEU W 19 449 ? 5.319 -15.752 27.874 0.60 62.33 ? 467 LEU c CG 1 ? ? +37475 ATOM C CD1 A LEU W 19 449 ? 6.279 -15.658 29.037 0.40 62.95 ? 467 LEU c CD1 1 ? ? +37476 ATOM C CD1 B LEU W 19 449 ? 6.167 -15.578 29.099 0.60 62.95 ? 467 LEU c CD1 1 ? ? +37477 ATOM C CD2 A LEU W 19 449 ? 6.068 -16.191 26.646 0.40 61.69 ? 467 LEU c CD2 1 ? ? +37478 ATOM C CD2 B LEU W 19 449 ? 6.181 -16.297 26.761 0.60 61.68 ? 467 LEU c CD2 1 ? ? +37479 ATOM N N . SER W 19 450 ? 0.967 -17.629 27.697 1.00 63.40 ? 468 SER c N 1 ? ? +37480 ATOM C CA . SER W 19 450 ? -0.099 -18.588 27.961 1.00 63.91 ? 468 SER c CA 1 ? ? +37481 ATOM C CB . SER W 19 450 ? -1.082 -18.024 28.972 1.00 64.89 ? 468 SER c CB 1 ? ? +37482 ATOM O OG . SER W 19 450 ? -0.413 -17.816 30.197 1.00 65.89 ? 468 SER c OG 1 ? ? +37483 ATOM C C . SER W 19 450 ? -0.907 -18.986 26.736 1.00 63.43 ? 468 SER c C 1 ? ? +37484 ATOM O O . SER W 19 450 ? -1.742 -19.875 26.826 1.00 64.16 ? 468 SER c O 1 ? ? +37485 ATOM N N . MET W 19 451 ? -0.681 -18.304 25.613 1.00 62.75 ? 469 MET c N 1 ? ? +37486 ATOM C CA . MET W 19 451 ? -1.468 -18.514 24.411 1.00 62.32 ? 469 MET c CA 1 ? ? +37487 ATOM C CB . MET W 19 451 ? -1.571 -17.213 23.628 1.00 61.50 ? 469 MET c CB 1 ? ? +37488 ATOM C CG . MET W 19 451 ? -2.323 -16.153 24.353 1.00 61.59 ? 469 MET c CG 1 ? ? +37489 ATOM S SD . MET W 19 451 ? -2.399 -14.662 23.366 1.00 60.77 ? 469 MET c SD 1 ? ? +37490 ATOM C CE . MET W 19 451 ? -2.865 -13.500 24.584 1.00 61.24 ? 469 MET c CE 1 ? ? +37491 ATOM C C . MET W 19 451 ? -0.824 -19.569 23.522 1.00 62.29 ? 469 MET c C 1 ? ? +37492 ATOM O O . MET W 19 451 ? 0.399 -19.644 23.442 1.00 62.36 ? 469 MET c O 1 ? ? +37493 ATOM N N . PRO W 19 452 ? -1.612 -20.390 22.795 1.00 62.72 ? 470 PRO c N 1 ? ? +37494 ATOM C CA . PRO W 19 452 ? -1.030 -21.388 21.897 1.00 62.55 ? 470 PRO c CA 1 ? ? +37495 ATOM C CB . PRO W 19 452 ? -2.274 -22.130 21.362 1.00 62.67 ? 470 PRO c CB 1 ? ? +37496 ATOM C CG . PRO W 19 452 ? -3.409 -21.133 21.503 1.00 62.74 ? 470 PRO c CG 1 ? ? +37497 ATOM C CD . PRO W 19 452 ? -3.088 -20.375 22.761 1.00 63.17 ? 470 PRO c CD 1 ? ? +37498 ATOM C C . PRO W 19 452 ? -0.215 -20.699 20.806 1.00 61.93 ? 470 PRO c C 1 ? ? +37499 ATOM O O . PRO W 19 452 ? -0.429 -19.528 20.508 1.00 62.02 ? 470 PRO c O 1 ? ? +37500 ATOM N N . SER W 19 453 ? 0.737 -21.407 20.208 0.50 61.61 ? 471 SER c N 1 ? ? +37501 ATOM C CA A SER W 19 453 ? 1.497 -20.839 19.112 0.50 60.93 ? 471 SER c CA 1 ? ? +37502 ATOM C CA B SER W 19 453 ? 1.498 -20.838 19.111 0.50 61.03 ? 471 SER c CA 1 ? ? +37503 ATOM C C . SER W 19 453 ? 0.610 -20.761 17.874 0.50 60.55 ? 471 SER c C 1 ? ? +37504 ATOM O O . SER W 19 453 ? -0.301 -21.559 17.715 0.50 60.39 ? 471 SER c O 1 ? ? +37505 ATOM C CB A SER W 19 453 ? 2.758 -21.654 18.838 0.50 60.77 ? 471 SER c CB 1 ? ? +37506 ATOM C CB B SER W 19 453 ? 2.755 -21.654 18.819 0.50 60.99 ? 471 SER c CB 1 ? ? +37507 ATOM O OG A SER W 19 453 ? 3.752 -21.443 19.828 0.50 60.96 ? 471 SER c OG 1 ? ? +37508 ATOM O OG B SER W 19 453 ? 2.472 -22.759 17.978 0.50 60.89 ? 471 SER c OG 1 ? ? +37509 ATOM N N . LEU W 19 454 ? 0.889 -19.783 17.011 1.00 60.49 ? 472 LEU c N 1 ? ? +37510 ATOM C CA . LEU W 19 454 ? 0.152 -19.594 15.774 1.00 60.67 ? 472 LEU c CA 1 ? ? +37511 ATOM C CB . LEU W 19 454 ? 0.507 -18.238 15.163 1.00 59.66 ? 472 LEU c CB 1 ? ? +37512 ATOM C CG . LEU W 19 454 ? 0.058 -17.016 15.916 1.00 59.72 ? 472 LEU c CG 1 ? ? +37513 ATOM C CD1 . LEU W 19 454 ? 0.439 -15.783 15.170 1.00 59.17 ? 472 LEU c CD1 1 ? ? +37514 ATOM C CD2 . LEU W 19 454 ? -1.460 -17.011 16.159 1.00 60.12 ? 472 LEU c CD2 1 ? ? +37515 ATOM C C . LEU W 19 454 ? 0.447 -20.648 14.713 1.00 61.72 ? 472 LEU c C 1 ? ? +37516 ATOM O O . LEU W 19 454 ? -0.305 -20.799 13.754 1.00 62.51 ? 472 LEU c O 1 ? ? +37517 ATOM N N . ASP W 19 455 ? 1.581 -21.326 14.852 1.00 62.97 ? 473 ASP c N 1 ? ? +37518 ATOM C CA . ASP W 19 455 ? 2.014 -22.292 13.861 1.00 63.58 ? 473 ASP c CA 1 ? ? +37519 ATOM C CB . ASP W 19 455 ? 2.470 -21.576 12.591 1.00 63.03 ? 473 ASP c CB 1 ? ? +37520 ATOM C CG . ASP W 19 455 ? 3.501 -20.475 12.794 1.00 63.13 ? 473 ASP c CG 1 ? ? +37521 ATOM O OD1 . ASP W 19 455 ? 3.935 -20.262 13.948 1.00 63.73 ? 473 ASP c OD1 1 ? ? +37522 ATOM O OD2 . ASP W 19 455 ? 3.867 -19.827 11.808 1.00 62.92 ? 473 ASP c OD2 1 ? ? +37523 ATOM C C . ASP W 19 455 ? 3.135 -23.149 14.425 1.00 65.00 ? 473 ASP c C 1 ? ? +37524 ATOM O O . ASP W 19 455 ? 3.501 -24.143 13.808 1.00 65.72 ? 473 ASP c O 1 ? ? +37525 ATOM O OXT . ASP W 19 455 ? 3.670 -22.854 15.502 1.00 65.89 ? 473 ASP c OXT 1 ? ? +37526 ATOM N N . ARG X 20 1 ? 58.769 5.759 24.295 1.00 106.98 ? 12 ARG d N 1 ? ? +37527 ATOM C CA . ARG X 20 1 ? 58.536 7.127 24.767 1.00 106.37 ? 12 ARG d CA 1 ? ? +37528 ATOM C CB . ARG X 20 1 ? 59.120 7.285 26.194 1.00 109.70 ? 12 ARG d CB 1 ? ? +37529 ATOM C CG . ARG X 20 1 ? 58.930 8.671 26.836 1.00 111.92 ? 12 ARG d CG 1 ? ? +37530 ATOM C CD . ARG X 20 1 ? 60.205 9.501 26.786 1.00 115.36 ? 12 ARG d CD 1 ? ? +37531 ATOM N NE . ARG X 20 1 ? 60.014 10.875 27.242 1.00 117.53 ? 12 ARG d NE 1 ? ? +37532 ATOM C CZ . ARG X 20 1 ? 60.857 11.529 28.037 1.00 120.51 ? 12 ARG d CZ 1 ? ? +37533 ATOM N NH1 . ARG X 20 1 ? 61.735 10.890 28.795 1.00 120.64 ? 12 ARG d NH1 1 ? ? +37534 ATOM N NH2 . ARG X 20 1 ? 60.820 12.858 28.071 1.00 122.19 ? 12 ARG d NH2 1 ? ? +37535 ATOM C C . ARG X 20 1 ? 59.112 8.172 23.810 1.00 102.83 ? 12 ARG d C 1 ? ? +37536 ATOM O O . ARG X 20 1 ? 59.699 9.160 24.240 1.00 102.83 ? 12 ARG d O 1 ? ? +37537 ATOM N N . GLY X 20 2 ? 58.918 7.964 22.500 1.00 98.27 ? 13 GLY d N 1 ? ? +37538 ATOM C CA . GLY X 20 2 ? 59.250 8.977 21.512 1.00 95.68 ? 13 GLY d CA 1 ? ? +37539 ATOM C C . GLY X 20 2 ? 58.156 10.038 21.436 1.00 92.54 ? 13 GLY d C 1 ? ? +37540 ATOM O O . GLY X 20 2 ? 57.050 9.806 21.906 1.00 90.77 ? 13 GLY d O 1 ? ? +37541 ATOM N N . TRP X 20 3 ? 58.470 11.188 20.832 1.00 90.48 ? 14 TRP d N 1 ? ? +37542 ATOM C CA . TRP X 20 3 ? 57.516 12.277 20.706 1.00 88.40 ? 14 TRP d CA 1 ? ? +37543 ATOM C CB . TRP X 20 3 ? 58.124 13.441 19.915 1.00 88.07 ? 14 TRP d CB 1 ? ? +37544 ATOM C CG . TRP X 20 3 ? 58.427 13.123 18.485 1.00 87.01 ? 14 TRP d CG 1 ? ? +37545 ATOM C CD1 . TRP X 20 3 ? 59.628 12.736 17.974 1.00 87.35 ? 14 TRP d CD1 1 ? ? +37546 ATOM N NE1 . TRP X 20 3 ? 59.524 12.545 16.617 1.00 86.58 ? 14 TRP d NE1 1 ? ? +37547 ATOM C CE2 . TRP X 20 3 ? 58.242 12.829 16.222 1.00 85.01 ? 14 TRP d CE2 1 ? ? +37548 ATOM C CZ2 . TRP X 20 3 ? 57.662 12.799 14.955 1.00 84.08 ? 14 TRP d CZ2 1 ? ? +37549 ATOM C CH2 . TRP X 20 3 ? 56.334 13.134 14.859 1.00 83.53 ? 14 TRP d CH2 1 ? ? +37550 ATOM C CZ3 . TRP X 20 3 ? 55.593 13.507 15.985 1.00 83.70 ? 14 TRP d CZ3 1 ? ? +37551 ATOM C CE3 . TRP X 20 3 ? 56.174 13.551 17.241 1.00 84.70 ? 14 TRP d CE3 1 ? ? +37552 ATOM C CD2 . TRP X 20 3 ? 57.524 13.205 17.373 1.00 85.28 ? 14 TRP d CD2 1 ? ? +37553 ATOM C C . TRP X 20 3 ? 56.211 11.820 20.057 1.00 86.88 ? 14 TRP d C 1 ? ? +37554 ATOM O O . TRP X 20 3 ? 55.147 12.352 20.377 1.00 87.27 ? 14 TRP d O 1 ? ? +37555 ATOM N N . PHE X 20 4 ? 56.310 10.842 19.143 1.00 85.12 ? 15 PHE d N 1 ? ? +37556 ATOM C CA . PHE X 20 4 ? 55.147 10.311 18.453 1.00 82.84 ? 15 PHE d CA 1 ? ? +37557 ATOM C CB . PHE X 20 4 ? 55.547 9.306 17.355 1.00 82.35 ? 15 PHE d CB 1 ? ? +37558 ATOM C CG . PHE X 20 4 ? 54.351 8.765 16.606 1.00 81.28 ? 15 PHE d CG 1 ? ? +37559 ATOM C CD1 . PHE X 20 4 ? 53.654 7.667 17.083 1.00 80.74 ? 15 PHE d CD1 1 ? ? +37560 ATOM C CD2 . PHE X 20 4 ? 53.886 9.395 15.457 1.00 80.76 ? 15 PHE d CD2 1 ? ? +37561 ATOM C CE1 . PHE X 20 4 ? 52.539 7.187 16.408 1.00 80.04 ? 15 PHE d CE1 1 ? ? +37562 ATOM C CE2 . PHE X 20 4 ? 52.766 8.917 14.785 1.00 79.89 ? 15 PHE d CE2 1 ? ? +37563 ATOM C CZ . PHE X 20 4 ? 52.093 7.821 15.265 1.00 79.60 ? 15 PHE d CZ 1 ? ? +37564 ATOM C C . PHE X 20 4 ? 54.171 9.655 19.427 1.00 81.65 ? 15 PHE d C 1 ? ? +37565 ATOM O O . PHE X 20 4 ? 52.970 9.891 19.357 1.00 80.78 ? 15 PHE d O 1 ? ? +37566 ATOM N N . ASP X 20 5 ? 54.699 8.823 20.324 1.00 81.54 ? 16 ASP d N 1 ? ? +37567 ATOM C CA . ASP X 20 5 ? 53.882 8.114 21.294 1.00 80.87 ? 16 ASP d CA 1 ? ? +37568 ATOM C CB . ASP X 20 5 ? 54.709 7.003 21.962 1.00 81.59 ? 16 ASP d CB 1 ? ? +37569 ATOM C CG . ASP X 20 5 ? 55.198 5.991 20.960 1.00 81.23 ? 16 ASP d CG 1 ? ? +37570 ATOM O OD1 . ASP X 20 5 ? 54.339 5.385 20.267 1.00 79.86 ? 16 ASP d OD1 1 ? ? +37571 ATOM O OD2 . ASP X 20 5 ? 56.447 5.833 20.834 1.00 82.05 ? 16 ASP d OD2 1 ? ? +37572 ATOM C C . ASP X 20 5 ? 53.298 9.054 22.346 1.00 80.67 ? 16 ASP d C 1 ? ? +37573 ATOM O O . ASP X 20 5 ? 52.147 8.892 22.748 1.00 80.04 ? 16 ASP d O 1 ? ? +37574 ATOM N N . ILE X 20 6 ? 54.104 10.031 22.783 1.00 81.25 ? 17 ILE d N 1 ? ? +37575 ATOM C CA . ILE X 20 6 ? 53.651 11.069 23.695 1.00 81.22 ? 17 ILE d CA 1 ? ? +37576 ATOM C CB . ILE X 20 6 ? 54.795 12.045 24.089 1.00 82.51 ? 17 ILE d CB 1 ? ? +37577 ATOM C CG1 . ILE X 20 6 ? 55.965 11.302 24.758 1.00 83.78 ? 17 ILE d CG1 1 ? ? +37578 ATOM C CG2 . ILE X 20 6 ? 54.298 13.188 24.980 1.00 82.95 ? 17 ILE d CG2 1 ? ? +37579 ATOM C CD1 . ILE X 20 6 ? 55.550 10.432 25.970 1.00 84.02 ? 17 ILE d CD1 1 ? ? +37580 ATOM C C . ILE X 20 6 ? 52.501 11.841 23.059 1.00 79.77 ? 17 ILE d C 1 ? ? +37581 ATOM O O . ILE X 20 6 ? 51.537 12.161 23.738 1.00 79.46 ? 17 ILE d O 1 ? ? +37582 ATOM N N . LEU X 20 7 ? 52.634 12.160 21.767 1.00 78.81 ? 18 LEU d N 1 ? ? +37583 ATOM C CA . LEU X 20 7 ? 51.614 12.922 21.072 1.00 77.92 ? 18 LEU d CA 1 ? ? +37584 ATOM C CB . LEU X 20 7 ? 52.125 13.388 19.700 1.00 77.94 ? 18 LEU d CB 1 ? ? +37585 ATOM C CG . LEU X 20 7 ? 51.106 14.114 18.815 1.00 77.37 ? 18 LEU d CG 1 ? ? +37586 ATOM C CD1 . LEU X 20 7 ? 50.473 15.274 19.525 1.00 77.61 ? 18 LEU d CD1 1 ? ? +37587 ATOM C CD2 . LEU X 20 7 ? 51.761 14.623 17.550 1.00 77.67 ? 18 LEU d CD2 1 ? ? +37588 ATOM C C . LEU X 20 7 ? 50.345 12.082 20.946 1.00 76.47 ? 18 LEU d C 1 ? ? +37589 ATOM O O . LEU X 20 7 ? 49.246 12.595 21.122 1.00 76.25 ? 18 LEU d O 1 ? ? +37590 ATOM N N . ASP X 20 8 ? 50.508 10.786 20.660 1.00 75.60 ? 19 ASP d N 1 ? ? +37591 ATOM C CA . ASP X 20 8 ? 49.385 9.868 20.567 1.00 74.32 ? 19 ASP d CA 1 ? ? +37592 ATOM C CB . ASP X 20 8 ? 49.862 8.462 20.174 1.00 74.08 ? 19 ASP d CB 1 ? ? +37593 ATOM C CG . ASP X 20 8 ? 48.731 7.509 19.836 1.00 73.01 ? 19 ASP d CG 1 ? ? +37594 ATOM O OD1 . ASP X 20 8 ? 48.172 7.618 18.729 1.00 72.39 ? 19 ASP d OD1 1 ? ? +37595 ATOM O OD2 . ASP X 20 8 ? 48.394 6.666 20.682 1.00 73.16 ? 19 ASP d OD2 1 ? ? +37596 ATOM C C . ASP X 20 8 ? 48.620 9.823 21.889 1.00 74.15 ? 19 ASP d C 1 ? ? +37597 ATOM O O . ASP X 20 8 ? 47.391 9.833 21.897 1.00 73.05 ? 19 ASP d O 1 ? ? +37598 ATOM N N . ASP X 20 9 ? 49.366 9.780 23.002 1.00 75.03 ? 20 ASP d N 1 ? ? +37599 ATOM C CA . ASP X 20 9 ? 48.777 9.818 24.330 1.00 75.29 ? 20 ASP d CA 1 ? ? +37600 ATOM C CB . ASP X 20 9 ? 49.834 9.839 25.443 1.00 76.66 ? 20 ASP d CB 1 ? ? +37601 ATOM C CG . ASP X 20 9 ? 50.457 8.508 25.782 1.00 77.22 ? 20 ASP d CG 1 ? ? +37602 ATOM O OD1 . ASP X 20 9 ? 50.000 7.493 25.242 1.00 76.41 ? 20 ASP d OD1 1 ? ? +37603 ATOM O OD2 . ASP X 20 9 ? 51.430 8.489 26.595 1.00 78.77 ? 20 ASP d OD2 1 ? ? +37604 ATOM C C . ASP X 20 9 ? 47.889 11.043 24.492 1.00 74.72 ? 20 ASP d C 1 ? ? +37605 ATOM O O . ASP X 20 9 ? 46.720 10.910 24.852 1.00 74.28 ? 20 ASP d O 1 ? ? +37606 ATOM N N . TRP X 20 10 ? 48.459 12.225 24.224 1.00 74.67 ? 21 TRP d N 1 ? ? +37607 ATOM C CA . TRP X 20 10 ? 47.723 13.464 24.386 1.00 74.59 ? 21 TRP d CA 1 ? ? +37608 ATOM C CB . TRP X 20 10 ? 48.585 14.697 24.048 1.00 74.88 ? 21 TRP d CB 1 ? ? +37609 ATOM C CG . TRP X 20 10 ? 47.930 15.962 24.506 1.00 74.98 ? 21 TRP d CG 1 ? ? +37610 ATOM C CD1 . TRP X 20 10 ? 47.964 16.488 25.759 1.00 75.75 ? 21 TRP d CD1 1 ? ? +37611 ATOM N NE1 . TRP X 20 10 ? 47.192 17.625 25.818 1.00 75.59 ? 21 TRP d NE1 1 ? ? +37612 ATOM C CE2 . TRP X 20 10 ? 46.618 17.836 24.595 1.00 74.75 ? 21 TRP d CE2 1 ? ? +37613 ATOM C CZ2 . TRP X 20 10 ? 45.749 18.843 24.165 1.00 74.32 ? 21 TRP d CZ2 1 ? ? +37614 ATOM C CH2 . TRP X 20 10 ? 45.324 18.798 22.857 1.00 73.46 ? 21 TRP d CH2 1 ? ? +37615 ATOM C CZ3 . TRP X 20 10 ? 45.730 17.779 21.992 1.00 73.09 ? 21 TRP d CZ3 1 ? ? +37616 ATOM C CE3 . TRP X 20 10 ? 46.598 16.782 22.419 1.00 73.62 ? 21 TRP d CE3 1 ? ? +37617 ATOM C CD2 . TRP X 20 10 ? 47.055 16.801 23.744 1.00 74.37 ? 21 TRP d CD2 1 ? ? +37618 ATOM C C . TRP X 20 10 ? 46.445 13.468 23.542 1.00 73.74 ? 21 TRP d C 1 ? ? +37619 ATOM O O . TRP X 20 10 ? 45.375 13.786 24.049 1.00 72.92 ? 21 TRP d O 1 ? ? +37620 ATOM N N . LEU X 20 11 ? 46.574 13.099 22.260 1.00 73.53 ? 22 LEU d N 1 ? ? +37621 ATOM C CA . LEU X 20 11 ? 45.486 13.183 21.302 1.00 73.13 ? 22 LEU d CA 1 ? ? +37622 ATOM C CB . LEU X 20 11 ? 46.003 12.796 19.901 1.00 72.81 ? 22 LEU d CB 1 ? ? +37623 ATOM C CG . LEU X 20 11 ? 46.864 13.819 19.181 1.00 73.38 ? 22 LEU d CG 1 ? ? +37624 ATOM C CD1 . LEU X 20 11 ? 47.385 13.257 17.875 1.00 73.10 ? 22 LEU d CD1 1 ? ? +37625 ATOM C CD2 . LEU X 20 11 ? 46.090 15.099 18.896 1.00 73.16 ? 22 LEU d CD2 1 ? ? +37626 ATOM C C . LEU X 20 11 ? 44.291 12.296 21.643 1.00 72.88 ? 22 LEU d C 1 ? ? +37627 ATOM O O . LEU X 20 11 ? 43.164 12.618 21.271 1.00 71.73 ? 22 LEU d O 1 ? ? +37628 ATOM N N . LYS X 20 12 ? 44.562 11.180 22.336 1.00 73.87 ? 23 LYS d N 1 ? ? +37629 ATOM C CA . LYS X 20 12 ? 43.550 10.188 22.657 1.00 73.97 ? 23 LYS d CA 1 ? ? +37630 ATOM C CB . LYS X 20 12 ? 44.068 8.797 22.315 1.00 73.95 ? 23 LYS d CB 1 ? ? +37631 ATOM C CG . LYS X 20 12 ? 44.264 8.575 20.844 1.00 73.68 ? 23 LYS d CG 1 ? ? +37632 ATOM C CD . LYS X 20 12 ? 44.933 7.270 20.576 1.00 74.11 ? 23 LYS d CD 1 ? ? +37633 ATOM C CE . LYS X 20 12 ? 45.052 6.989 19.107 1.00 73.94 ? 23 LYS d CE 1 ? ? +37634 ATOM N NZ . LYS X 20 12 ? 45.876 5.770 18.875 1.00 74.53 ? 23 LYS d NZ 1 ? ? +37635 ATOM C C . LYS X 20 12 ? 43.124 10.209 24.122 1.00 75.34 ? 23 LYS d C 1 ? ? +37636 ATOM O O . LYS X 20 12 ? 42.472 9.280 24.586 1.00 74.76 ? 23 LYS d O 1 ? ? +37637 ATOM N N . ARG X 20 13 ? 43.482 11.276 24.843 1.00 77.70 ? 24 ARG d N 1 ? ? +37638 ATOM C CA . ARG X 20 13 ? 43.002 11.452 26.201 1.00 79.78 ? 24 ARG d CA 1 ? ? +37639 ATOM C CB . ARG X 20 13 ? 43.609 12.691 26.852 1.00 82.78 ? 24 ARG d CB 1 ? ? +37640 ATOM C CG . ARG X 20 13 ? 43.653 12.561 28.384 1.00 85.38 ? 24 ARG d CG 1 ? ? +37641 ATOM C CD . ARG X 20 13 ? 44.527 13.584 29.048 1.00 87.44 ? 24 ARG d CD 1 ? ? +37642 ATOM N NE . ARG X 20 13 ? 45.933 13.371 28.739 1.00 89.13 ? 24 ARG d NE 1 ? ? +37643 ATOM C CZ . ARG X 20 13 ? 46.897 14.219 29.071 1.00 92.36 ? 24 ARG d CZ 1 ? ? +37644 ATOM N NH1 . ARG X 20 13 ? 46.648 15.293 29.803 1.00 93.37 ? 24 ARG d NH1 1 ? ? +37645 ATOM N NH2 . ARG X 20 13 ? 48.140 13.993 28.649 1.00 93.19 ? 24 ARG d NH2 1 ? ? +37646 ATOM C C . ARG X 20 13 ? 41.479 11.537 26.208 1.00 79.01 ? 24 ARG d C 1 ? ? +37647 ATOM O O . ARG X 20 13 ? 40.861 12.058 25.278 1.00 77.99 ? 24 ARG d O 1 ? ? +37648 ATOM N N . ASP X 20 14 ? 40.892 10.990 27.273 1.00 79.21 ? 25 ASP d N 1 ? ? +37649 ATOM C CA . ASP X 20 14 ? 39.453 10.977 27.458 1.00 77.90 ? 25 ASP d CA 1 ? ? +37650 ATOM C CB . ASP X 20 14 ? 39.070 9.847 28.415 1.00 78.53 ? 25 ASP d CB 1 ? ? +37651 ATOM C CG . ASP X 20 14 ? 37.680 9.285 28.294 1.00 78.31 ? 25 ASP d CG 1 ? ? +37652 ATOM O OD1 . ASP X 20 14 ? 36.964 9.637 27.320 1.00 77.79 ? 25 ASP d OD1 1 ? ? +37653 ATOM O OD2 . ASP X 20 14 ? 37.320 8.443 29.129 1.00 79.02 ? 25 ASP d OD2 1 ? ? +37654 ATOM C C . ASP X 20 14 ? 39.068 12.340 28.021 1.00 77.54 ? 25 ASP d C 1 ? ? +37655 ATOM O O . ASP X 20 14 ? 39.204 12.581 29.215 1.00 78.89 ? 25 ASP d O 1 ? ? +37656 ATOM N N . ARG X 20 15 ? 38.639 13.245 27.142 1.00 76.20 ? 26 ARG d N 1 ? ? +37657 ATOM C CA . ARG X 20 15 ? 38.234 14.584 27.532 1.00 75.82 ? 26 ARG d CA 1 ? ? +37658 ATOM C CB . ARG X 20 15 ? 39.224 15.632 26.987 1.00 75.82 ? 26 ARG d CB 1 ? ? +37659 ATOM C CG . ARG X 20 15 ? 39.728 15.345 25.578 1.00 75.07 ? 26 ARG d CG 1 ? ? +37660 ATOM C CD . ARG X 20 15 ? 40.590 16.456 25.028 1.00 75.19 ? 26 ARG d CD 1 ? ? +37661 ATOM N NE . ARG X 20 15 ? 41.869 16.524 25.729 1.00 76.00 ? 26 ARG d NE 1 ? ? +37662 ATOM C CZ . ARG X 20 15 ? 43.024 16.097 25.237 1.00 75.96 ? 26 ARG d CZ 1 ? ? +37663 ATOM N NH1 . ARG X 20 15 ? 43.076 15.358 24.143 1.00 75.33 ? 26 ARG d NH1 1 ? ? +37664 ATOM N NH2 . ARG X 20 15 ? 44.156 16.418 25.858 1.00 76.95 ? 26 ARG d NH2 1 ? ? +37665 ATOM C C . ARG X 20 15 ? 36.811 14.793 27.023 1.00 74.72 ? 26 ARG d C 1 ? ? +37666 ATOM O O . ARG X 20 15 ? 36.252 13.907 26.385 1.00 73.31 ? 26 ARG d O 1 ? ? +37667 ATOM N N . PHE X 20 16 ? 36.234 15.960 27.319 1.00 75.26 ? 27 PHE d N 1 ? ? +37668 ATOM C CA . PHE X 20 16 ? 34.859 16.255 26.939 1.00 74.97 ? 27 PHE d CA 1 ? ? +37669 ATOM C CB . PHE X 20 16 ? 34.443 17.636 27.463 1.00 76.52 ? 27 PHE d CB 1 ? ? +37670 ATOM C CG . PHE X 20 16 ? 32.991 17.976 27.217 1.00 77.51 ? 27 PHE d CG 1 ? ? +37671 ATOM C CD1 . PHE X 20 16 ? 31.993 17.482 28.041 1.00 78.04 ? 27 PHE d CD1 1 ? ? +37672 ATOM C CD2 . PHE X 20 16 ? 32.620 18.769 26.139 1.00 77.90 ? 27 PHE d CD2 1 ? ? +37673 ATOM C CE1 . PHE X 20 16 ? 30.664 17.793 27.799 1.00 77.94 ? 27 PHE d CE1 1 ? ? +37674 ATOM C CE2 . PHE X 20 16 ? 31.289 19.074 25.903 1.00 77.21 ? 27 PHE d CE2 1 ? ? +37675 ATOM C CZ . PHE X 20 16 ? 30.324 18.588 26.732 1.00 77.54 ? 27 PHE d CZ 1 ? ? +37676 ATOM C C . PHE X 20 16 ? 34.658 16.190 25.424 1.00 73.22 ? 27 PHE d C 1 ? ? +37677 ATOM O O . PHE X 20 16 ? 33.638 15.689 24.948 1.00 72.17 ? 27 PHE d O 1 ? ? +37678 ATOM N N . VAL X 20 17 ? 35.633 16.732 24.683 1.00 72.50 ? 28 VAL d N 1 ? ? +37679 ATOM C CA . VAL X 20 17 ? 35.679 16.595 23.236 1.00 70.76 ? 28 VAL d CA 1 ? ? +37680 ATOM C CB . VAL X 20 17 ? 35.753 17.966 22.534 1.00 71.32 ? 28 VAL d CB 1 ? ? +37681 ATOM C CG1 . VAL X 20 17 ? 35.575 17.815 21.020 1.00 70.66 ? 28 VAL d CG1 1 ? ? +37682 ATOM C CG2 . VAL X 20 17 ? 34.727 18.932 23.112 1.00 71.68 ? 28 VAL d CG2 1 ? ? +37683 ATOM C C . VAL X 20 17 ? 36.888 15.736 22.881 1.00 69.30 ? 28 VAL d C 1 ? ? +37684 ATOM O O . VAL X 20 17 ? 38.019 16.173 23.041 1.00 70.03 ? 28 VAL d O 1 ? ? +37685 ATOM N N . PHE X 20 18 ? 36.628 14.507 22.433 1.00 67.10 ? 29 PHE d N 1 ? ? +37686 ATOM C CA . PHE X 20 18 ? 37.671 13.623 21.961 1.00 66.16 ? 29 PHE d CA 1 ? ? +37687 ATOM C CB . PHE X 20 18 ? 37.128 12.228 21.680 1.00 65.31 ? 29 PHE d CB 1 ? ? +37688 ATOM C CG . PHE X 20 18 ? 38.128 11.288 21.074 1.00 65.10 ? 29 PHE d CG 1 ? ? +37689 ATOM C CD1 . PHE X 20 18 ? 38.993 10.566 21.872 1.00 65.69 ? 29 PHE d CD1 1 ? ? +37690 ATOM C CD2 . PHE X 20 18 ? 38.224 11.147 19.702 1.00 64.45 ? 29 PHE d CD2 1 ? ? +37691 ATOM C CE1 . PHE X 20 18 ? 39.930 9.709 21.307 1.00 65.70 ? 29 PHE d CE1 1 ? ? +37692 ATOM C CE2 . PHE X 20 18 ? 39.149 10.283 19.140 1.00 64.42 ? 29 PHE d CE2 1 ? ? +37693 ATOM C CZ . PHE X 20 18 ? 40.003 9.575 19.944 1.00 65.06 ? 29 PHE d CZ 1 ? ? +37694 ATOM C C . PHE X 20 18 ? 38.260 14.233 20.696 1.00 65.39 ? 29 PHE d C 1 ? ? +37695 ATOM O O . PHE X 20 18 ? 37.519 14.676 19.827 1.00 64.53 ? 29 PHE d O 1 ? ? +37696 ATOM N N . VAL X 20 19 ? 39.598 14.240 20.612 1.00 65.40 ? 30 VAL d N 1 ? ? +37697 ATOM C CA . VAL X 20 19 ? 40.294 14.792 19.467 1.00 64.87 ? 30 VAL d CA 1 ? ? +37698 ATOM C CB . VAL X 20 19 ? 41.490 15.665 19.906 1.00 65.87 ? 30 VAL d CB 1 ? ? +37699 ATOM C CG1 . VAL X 20 19 ? 42.105 16.365 18.706 1.00 65.87 ? 30 VAL d CG1 1 ? ? +37700 ATOM C CG2 . VAL X 20 19 ? 41.091 16.672 20.985 1.00 66.38 ? 30 VAL d CG2 1 ? ? +37701 ATOM C C . VAL X 20 19 ? 40.718 13.663 18.530 1.00 64.00 ? 30 VAL d C 1 ? ? +37702 ATOM O O . VAL X 20 19 ? 40.190 13.540 17.434 1.00 63.25 ? 30 VAL d O 1 ? ? +37703 ATOM N N . GLY X 20 20 ? 41.681 12.841 18.959 1.00 64.13 ? 31 GLY d N 1 ? ? +37704 ATOM C CA . GLY X 20 20 ? 42.274 11.830 18.098 1.00 63.52 ? 31 GLY d CA 1 ? ? +37705 ATOM C C . GLY X 20 20 ? 43.152 12.380 16.970 1.00 63.35 ? 31 GLY d C 1 ? ? +37706 ATOM O O . GLY X 20 20 ? 43.197 13.587 16.730 1.00 63.47 ? 31 GLY d O 1 ? ? +37707 ATOM N N . TRP X 20 21 ? 43.850 11.472 16.275 1.00 62.94 ? 32 TRP d N 1 ? ? +37708 ATOM C CA . TRP X 20 21 ? 44.542 11.812 15.044 1.00 62.72 ? 32 TRP d CA 1 ? ? +37709 ATOM C CB . TRP X 20 21 ? 45.283 10.605 14.498 1.00 62.54 ? 32 TRP d CB 1 ? ? +37710 ATOM C CG . TRP X 20 21 ? 46.487 10.241 15.306 1.00 63.41 ? 32 TRP d CG 1 ? ? +37711 ATOM C CD1 . TRP X 20 21 ? 46.578 9.260 16.247 1.00 63.62 ? 32 TRP d CD1 1 ? ? +37712 ATOM N NE1 . TRP X 20 21 ? 47.835 9.233 16.780 1.00 64.55 ? 32 TRP d NE1 1 ? ? +37713 ATOM C CE2 . TRP X 20 21 ? 48.597 10.196 16.171 1.00 64.91 ? 32 TRP d CE2 1 ? ? +37714 ATOM C CZ2 . TRP X 20 21 ? 49.932 10.541 16.356 1.00 65.81 ? 32 TRP d CZ2 1 ? ? +37715 ATOM C CH2 . TRP X 20 21 ? 50.424 11.564 15.605 1.00 66.01 ? 32 TRP d CH2 1 ? ? +37716 ATOM C CZ3 . TRP X 20 21 ? 49.633 12.235 14.675 1.00 65.30 ? 32 TRP d CZ3 1 ? ? +37717 ATOM C CE3 . TRP X 20 21 ? 48.313 11.893 14.485 1.00 64.38 ? 32 TRP d CE3 1 ? ? +37718 ATOM C CD2 . TRP X 20 21 ? 47.771 10.858 15.246 1.00 64.17 ? 32 TRP d CD2 1 ? ? +37719 ATOM C C . TRP X 20 21 ? 43.569 12.350 14.000 1.00 61.89 ? 32 TRP d C 1 ? ? +37720 ATOM O O . TRP X 20 21 ? 43.885 13.292 13.281 1.00 61.97 ? 32 TRP d O 1 ? ? +37721 ATOM N N . SER X 20 22 ? 42.380 11.739 13.933 1.00 61.08 ? 33 SER d N 1 ? ? +37722 ATOM C CA . SER X 20 22 ? 41.338 12.161 13.015 1.00 60.30 ? 33 SER d CA 1 ? ? +37723 ATOM C CB . SER X 20 22 ? 40.099 11.287 13.191 1.00 59.56 ? 33 SER d CB 1 ? ? +37724 ATOM O OG . SER X 20 22 ? 39.404 11.552 14.405 1.00 59.75 ? 33 SER d OG 1 ? ? +37725 ATOM C C . SER X 20 22 ? 40.976 13.639 13.175 1.00 60.56 ? 33 SER d C 1 ? ? +37726 ATOM O O . SER X 20 22 ? 40.609 14.297 12.202 1.00 60.21 ? 33 SER d O 1 ? ? +37727 ATOM N N . GLY X 20 23 ? 41.084 14.154 14.404 1.00 61.23 ? 34 GLY d N 1 ? ? +37728 ATOM C CA . GLY X 20 23 ? 40.681 15.518 14.715 1.00 61.54 ? 34 GLY d CA 1 ? ? +37729 ATOM C C . GLY X 20 23 ? 41.508 16.600 14.021 1.00 62.04 ? 34 GLY d C 1 ? ? +37730 ATOM O O . GLY X 20 23 ? 41.011 17.697 13.773 1.00 61.94 ? 34 GLY d O 1 ? ? +37731 ATOM N N . ILE X 20 24 ? 42.783 16.286 13.743 1.00 62.61 ? 35 ILE d N 1 ? ? +37732 ATOM C CA . ILE X 20 24 ? 43.670 17.182 13.019 1.00 63.09 ? 35 ILE d CA 1 ? ? +37733 ATOM C CB . ILE X 20 24 ? 45.079 16.558 12.933 1.00 63.68 ? 35 ILE d CB 1 ? ? +37734 ATOM C CG1 . ILE X 20 24 ? 45.752 16.571 14.316 1.00 64.60 ? 35 ILE d CG1 1 ? ? +37735 ATOM C CG2 . ILE X 20 24 ? 45.968 17.250 11.887 1.00 63.99 ? 35 ILE d CG2 1 ? ? +37736 ATOM C CD1 . ILE X 20 24 ? 46.727 15.445 14.542 1.00 64.93 ? 35 ILE d CD1 1 ? ? +37737 ATOM C C . ILE X 20 24 ? 43.103 17.526 11.645 1.00 62.41 ? 35 ILE d C 1 ? ? +37738 ATOM O O . ILE X 20 24 ? 43.205 18.668 11.207 1.00 62.64 ? 35 ILE d O 1 ? ? +37739 ATOM N N . LEU X 20 25 ? 42.497 16.538 10.978 1.00 61.62 ? 36 LEU d N 1 ? ? +37740 ATOM C CA . LEU X 20 25 ? 41.821 16.776 9.716 1.00 61.00 ? 36 LEU d CA 1 ? ? +37741 ATOM C CB . LEU X 20 25 ? 41.830 15.493 8.883 1.00 60.30 ? 36 LEU d CB 1 ? ? +37742 ATOM C CG . LEU X 20 25 ? 41.192 15.597 7.509 1.00 59.57 ? 36 LEU d CG 1 ? ? +37743 ATOM C CD1 . LEU X 20 25 ? 42.011 16.469 6.583 1.00 59.92 ? 36 LEU d CD1 1 ? ? +37744 ATOM C CD2 . LEU X 20 25 ? 40.996 14.214 6.894 1.00 58.92 ? 36 LEU d CD2 1 ? ? +37745 ATOM C C . LEU X 20 25 ? 40.387 17.284 9.896 1.00 60.72 ? 36 LEU d C 1 ? ? +37746 ATOM O O . LEU X 20 25 ? 39.980 18.229 9.224 1.00 60.50 ? 36 LEU d O 1 ? ? +37747 ATOM N N . LEU X 20 26 ? 39.616 16.641 10.786 1.00 60.75 ? 37 LEU d N 1 ? ? +37748 ATOM C CA . LEU X 20 26 ? 38.194 16.915 10.922 1.00 60.37 ? 37 LEU d CA 1 ? ? +37749 ATOM C CB . LEU X 20 26 ? 37.546 15.954 11.927 1.00 60.26 ? 37 LEU d CB 1 ? ? +37750 ATOM C CG . LEU X 20 26 ? 36.115 16.325 12.415 1.00 60.00 ? 37 LEU d CG 1 ? ? +37751 ATOM C CD1 . LEU X 20 26 ? 35.135 16.370 11.303 1.00 59.20 ? 37 LEU d CD1 1 ? ? +37752 ATOM C CD2 . LEU X 20 26 ? 35.617 15.350 13.413 1.00 59.95 ? 37 LEU d CD2 1 ? ? +37753 ATOM C C . LEU X 20 26 ? 37.892 18.340 11.373 1.00 61.00 ? 37 LEU d C 1 ? ? +37754 ATOM O O . LEU X 20 26 ? 37.096 19.028 10.738 1.00 60.72 ? 37 LEU d O 1 ? ? +37755 ATOM N N . PHE X 20 27 ? 38.512 18.764 12.482 1.00 61.94 ? 38 PHE d N 1 ? ? +37756 ATOM C CA . PHE X 20 27 ? 38.110 19.987 13.156 1.00 62.47 ? 38 PHE d CA 1 ? ? +37757 ATOM C CB . PHE X 20 27 ? 38.732 20.075 14.553 1.00 63.39 ? 38 PHE d CB 1 ? ? +37758 ATOM C CG . PHE X 20 27 ? 38.127 19.098 15.531 1.00 63.41 ? 38 PHE d CG 1 ? ? +37759 ATOM C CD1 . PHE X 20 27 ? 36.753 18.957 15.644 1.00 63.09 ? 38 PHE d CD1 1 ? ? +37760 ATOM C CD2 . PHE X 20 27 ? 38.921 18.325 16.333 1.00 64.02 ? 38 PHE d CD2 1 ? ? +37761 ATOM C CE1 . PHE X 20 27 ? 36.202 18.056 16.542 1.00 63.02 ? 38 PHE d CE1 1 ? ? +37762 ATOM C CE2 . PHE X 20 27 ? 38.366 17.439 17.241 1.00 63.92 ? 38 PHE d CE2 1 ? ? +37763 ATOM C CZ . PHE X 20 27 ? 37.016 17.305 17.332 1.00 63.44 ? 38 PHE d CZ 1 ? ? +37764 ATOM C C . PHE X 20 27 ? 38.371 21.263 12.360 1.00 62.71 ? 38 PHE d C 1 ? ? +37765 ATOM O O . PHE X 20 27 ? 37.466 22.083 12.225 1.00 62.61 ? 38 PHE d O 1 ? ? +37766 ATOM N N . PRO X 20 28 ? 39.580 21.489 11.793 1.00 63.01 ? 39 PRO d N 1 ? ? +37767 ATOM C CA . PRO X 20 28 ? 39.781 22.656 10.939 1.00 63.15 ? 39 PRO d CA 1 ? ? +37768 ATOM C CB . PRO X 20 28 ? 41.228 22.541 10.483 1.00 63.64 ? 39 PRO d CB 1 ? ? +37769 ATOM C CG . PRO X 20 28 ? 41.635 21.177 10.799 1.00 63.53 ? 39 PRO d CG 1 ? ? +37770 ATOM C CD . PRO X 20 28 ? 40.778 20.650 11.908 1.00 63.32 ? 39 PRO d CD 1 ? ? +37771 ATOM C C . PRO X 20 28 ? 38.792 22.658 9.778 1.00 62.31 ? 39 PRO d C 1 ? ? +37772 ATOM O O . PRO X 20 28 ? 38.063 23.625 9.598 1.00 62.18 ? 39 PRO d O 1 ? ? +37773 ATOM N N . CYS X 20 29 ? 38.750 21.556 9.025 1.00 61.76 ? 40 CYS d N 1 ? ? +37774 ATOM C CA . CYS X 20 29 ? 37.950 21.478 7.813 1.00 61.11 ? 40 CYS d CA 1 ? ? +37775 ATOM C CB . CYS X 20 29 ? 38.239 20.183 7.059 1.00 60.65 ? 40 CYS d CB 1 ? ? +37776 ATOM S SG . CYS X 20 29 ? 39.867 20.156 6.259 1.00 61.25 ? 40 CYS d SG 1 ? ? +37777 ATOM C C . CYS X 20 29 ? 36.453 21.647 8.064 1.00 60.65 ? 40 CYS d C 1 ? ? +37778 ATOM O O . CYS X 20 29 ? 35.782 22.338 7.310 1.00 60.42 ? 40 CYS d O 1 ? ? +37779 ATOM N N . ALA X 20 30 ? 35.933 21.019 9.120 1.00 60.60 ? 41 ALA d N 1 ? ? +37780 ATOM C CA . ALA X 20 30 ? 34.530 21.171 9.477 1.00 60.26 ? 41 ALA d CA 1 ? ? +37781 ATOM C CB . ALA X 20 30 ? 34.142 20.183 10.571 1.00 60.12 ? 41 ALA d CB 1 ? ? +37782 ATOM C C . ALA X 20 30 ? 34.217 22.597 9.928 1.00 60.80 ? 41 ALA d C 1 ? ? +37783 ATOM O O . ALA X 20 30 ? 33.163 23.135 9.611 1.00 60.67 ? 41 ALA d O 1 ? ? +37784 ATOM N N . TYR X 20 31 ? 35.130 23.202 10.687 1.00 61.59 ? 42 TYR d N 1 ? ? +37785 ATOM C CA . TYR X 20 31 ? 34.942 24.557 11.177 1.00 62.15 ? 42 TYR d CA 1 ? ? +37786 ATOM C CB . TYR X 20 31 ? 36.040 24.908 12.203 1.00 63.06 ? 42 TYR d CB 1 ? ? +37787 ATOM C CG . TYR X 20 31 ? 35.915 26.289 12.813 1.00 63.68 ? 42 TYR d CG 1 ? ? +37788 ATOM C CD1 . TYR X 20 31 ? 34.781 26.657 13.525 1.00 63.63 ? 42 TYR d CD1 1 ? ? +37789 ATOM C CD2 . TYR X 20 31 ? 36.932 27.225 12.683 1.00 64.29 ? 42 TYR d CD2 1 ? ? +37790 ATOM C CE1 . TYR X 20 31 ? 34.664 27.923 14.091 1.00 64.21 ? 42 TYR d CE1 1 ? ? +37791 ATOM C CE2 . TYR X 20 31 ? 36.821 28.493 13.235 1.00 64.91 ? 42 TYR d CE2 1 ? ? +37792 ATOM C CZ . TYR X 20 31 ? 35.685 28.839 13.935 1.00 64.85 ? 42 TYR d CZ 1 ? ? +37793 ATOM O OH . TYR X 20 31 ? 35.572 30.088 14.480 1.00 65.54 ? 42 TYR d OH 1 ? ? +37794 ATOM C C . TYR X 20 31 ? 34.917 25.548 10.013 1.00 62.14 ? 42 TYR d C 1 ? ? +37795 ATOM O O . TYR X 20 31 ? 34.058 26.419 9.975 1.00 62.34 ? 42 TYR d O 1 ? ? +37796 ATOM N N . LEU X 20 32 ? 35.850 25.404 9.061 1.00 62.04 ? 43 LEU d N 1 ? ? +37797 ATOM C CA . LEU X 20 32 ? 35.945 26.310 7.925 1.00 61.83 ? 43 LEU d CA 1 ? ? +37798 ATOM C CB . LEU X 20 32 ? 37.252 26.088 7.150 1.00 61.92 ? 43 LEU d CB 1 ? ? +37799 ATOM C CG . LEU X 20 32 ? 38.566 26.293 7.928 1.00 62.75 ? 43 LEU d CG 1 ? ? +37800 ATOM C CD1 . LEU X 20 32 ? 39.758 26.240 7.013 1.00 62.87 ? 43 LEU d CD1 1 ? ? +37801 ATOM C CD2 . LEU X 20 32 ? 38.573 27.577 8.703 1.00 63.49 ? 43 LEU d CD2 1 ? ? +37802 ATOM C C . LEU X 20 32 ? 34.758 26.140 6.974 1.00 60.97 ? 43 LEU d C 1 ? ? +37803 ATOM O O . LEU X 20 32 ? 34.259 27.110 6.411 1.00 60.97 ? 43 LEU d O 1 ? ? +37804 ATOM N N . ALA X 20 33 ? 34.314 24.901 6.780 1.00 60.20 ? 44 ALA d N 1 ? ? +37805 ATOM C CA . ALA X 20 33 ? 33.169 24.643 5.924 1.00 59.51 ? 44 ALA d CA 1 ? ? +37806 ATOM C CB . ALA X 20 33 ? 32.954 23.151 5.760 1.00 58.83 ? 44 ALA d CB 1 ? ? +37807 ATOM C C . ALA X 20 33 ? 31.909 25.307 6.482 1.00 59.46 ? 44 ALA d C 1 ? ? +37808 ATOM O O . ALA X 20 33 ? 31.140 25.925 5.745 1.00 59.29 ? 44 ALA d O 1 ? ? +37809 ATOM N N . LEU X 20 34 ? 31.719 25.194 7.798 1.00 59.71 ? 45 LEU d N 1 ? ? +37810 ATOM C CA . LEU X 20 34 ? 30.593 25.821 8.458 1.00 59.72 ? 45 LEU d CA 1 ? ? +37811 ATOM C CB . LEU X 20 34 ? 30.470 25.271 9.866 1.00 60.11 ? 45 LEU d CB 1 ? ? +37812 ATOM C CG . LEU X 20 34 ? 29.234 25.717 10.596 1.00 60.29 ? 45 LEU d CG 1 ? ? +37813 ATOM C CD1 . LEU X 20 34 ? 27.946 25.282 9.867 1.00 59.59 ? 45 LEU d CD1 1 ? ? +37814 ATOM C CD2 . LEU X 20 34 ? 29.211 25.153 11.978 1.00 60.63 ? 45 LEU d CD2 1 ? ? +37815 ATOM C C . LEU X 20 34 ? 30.758 27.338 8.478 1.00 60.13 ? 45 LEU d C 1 ? ? +37816 ATOM O O . LEU X 20 34 ? 29.844 28.079 8.118 1.00 59.90 ? 45 LEU d O 1 ? ? +37817 ATOM N N . GLY X 20 35 ? 31.951 27.784 8.878 1.00 60.59 ? 46 GLY d N 1 ? ? +37818 ATOM C CA . GLY X 20 35 ? 32.283 29.199 8.905 1.00 61.10 ? 46 GLY d CA 1 ? ? +37819 ATOM C C . GLY X 20 35 ? 32.143 29.898 7.557 1.00 60.79 ? 46 GLY d C 1 ? ? +37820 ATOM O O . GLY X 20 35 ? 31.659 31.025 7.485 1.00 61.13 ? 46 GLY d O 1 ? ? +37821 ATOM N N . GLY X 20 36 ? 32.576 29.219 6.494 1.00 60.18 ? 47 GLY d N 1 ? ? +37822 ATOM C CA . GLY X 20 36 ? 32.413 29.725 5.142 1.00 59.79 ? 47 GLY d CA 1 ? ? +37823 ATOM C C . GLY X 20 36 ? 30.959 29.931 4.735 1.00 59.05 ? 47 GLY d C 1 ? ? +37824 ATOM O O . GLY X 20 36 ? 30.617 30.956 4.150 1.00 59.21 ? 47 GLY d O 1 ? ? +37825 ATOM N N . TRP X 20 37 ? 30.113 28.941 5.039 1.00 58.26 ? 48 TRP d N 1 ? ? +37826 ATOM C CA . TRP X 20 37 ? 28.695 29.034 4.731 1.00 57.58 ? 48 TRP d CA 1 ? ? +37827 ATOM C CB . TRP X 20 37 ? 27.970 27.740 5.078 1.00 56.87 ? 48 TRP d CB 1 ? ? +37828 ATOM C CG . TRP X 20 37 ? 26.559 27.760 4.610 1.00 56.23 ? 48 TRP d CG 1 ? ? +37829 ATOM C CD1 . TRP X 20 37 ? 26.134 27.736 3.323 1.00 55.75 ? 48 TRP d CD1 1 ? ? +37830 ATOM N NE1 . TRP X 20 37 ? 24.760 27.809 3.278 1.00 55.40 ? 48 TRP d NE1 1 ? ? +37831 ATOM C CE2 . TRP X 20 37 ? 24.278 27.899 4.555 1.00 55.58 ? 48 TRP d CE2 1 ? ? +37832 ATOM C CZ2 . TRP X 20 37 ? 22.968 27.984 5.021 1.00 55.35 ? 48 TRP d CZ2 1 ? ? +37833 ATOM C CH2 . TRP X 20 37 ? 22.787 28.056 6.370 1.00 55.68 ? 48 TRP d CH2 1 ? ? +37834 ATOM C CZ3 . TRP X 20 37 ? 23.865 28.046 7.253 1.00 56.21 ? 48 TRP d CZ3 1 ? ? +37835 ATOM C CE3 . TRP X 20 37 ? 25.170 27.954 6.793 1.00 56.39 ? 48 TRP d CE3 1 ? ? +37836 ATOM C CD2 . TRP X 20 37 ? 25.391 27.879 5.421 1.00 56.08 ? 48 TRP d CD2 1 ? ? +37837 ATOM C C . TRP X 20 37 ? 28.045 30.205 5.462 1.00 57.98 ? 48 TRP d C 1 ? ? +37838 ATOM O O . TRP X 20 37 ? 27.340 31.003 4.856 1.00 57.91 ? 48 TRP d O 1 ? ? +37839 ATOM N N . LEU X 20 38 ? 28.325 30.318 6.764 1.00 58.43 ? 49 LEU d N 1 ? ? +37840 ATOM C CA . LEU X 20 38 ? 27.783 31.391 7.582 1.00 58.88 ? 49 LEU d CA 1 ? ? +37841 ATOM C CB . LEU X 20 38 ? 28.106 31.114 9.050 1.00 59.30 ? 49 LEU d CB 1 ? ? +37842 ATOM C CG . LEU X 20 38 ? 27.384 29.895 9.646 1.00 58.80 ? 49 LEU d CG 1 ? ? +37843 ATOM C CD1 . LEU X 20 38 ? 27.945 29.529 11.001 1.00 59.28 ? 49 LEU d CD1 1 ? ? +37844 ATOM C CD2 . LEU X 20 38 ? 25.877 30.128 9.764 1.00 58.46 ? 49 LEU d CD2 1 ? ? +37845 ATOM C C . LEU X 20 38 ? 28.302 32.765 7.161 1.00 59.41 ? 49 LEU d C 1 ? ? +37846 ATOM O O . LEU X 20 38 ? 27.525 33.711 7.054 1.00 59.58 ? 49 LEU d O 1 ? ? +37847 ATOM N N . THR X 20 39 ? 29.611 32.870 6.906 1.00 59.70 ? 50 THR d N 1 ? ? +37848 ATOM C CA . THR X 20 39 ? 30.171 34.090 6.348 1.00 60.17 ? 50 THR d CA 1 ? ? +37849 ATOM C CB . THR X 20 39 ? 31.685 33.958 6.139 1.00 60.55 ? 50 THR d CB 1 ? ? +37850 ATOM O OG1 . THR X 20 39 ? 32.299 33.622 7.380 1.00 60.95 ? 50 THR d OG1 1 ? ? +37851 ATOM C CG2 . THR X 20 39 ? 32.302 35.229 5.605 1.00 61.19 ? 50 THR d CG2 1 ? ? +37852 ATOM C C . THR X 20 39 ? 29.487 34.477 5.038 1.00 59.69 ? 50 THR d C 1 ? ? +37853 ATOM O O . THR X 20 39 ? 29.075 35.616 4.861 1.00 60.01 ? 50 THR d O 1 ? ? +37854 ATOM N N . GLY X 20 40 ? 29.389 33.526 4.113 1.00 58.96 ? 51 GLY d N 1 ? ? +37855 ATOM C CA . GLY X 20 40 ? 28.873 33.807 2.784 1.00 58.58 ? 51 GLY d CA 1 ? ? +37856 ATOM C C . GLY X 20 40 ? 27.384 34.154 2.745 1.00 58.22 ? 51 GLY d C 1 ? ? +37857 ATOM O O . GLY X 20 40 ? 26.978 35.103 2.071 1.00 58.40 ? 51 GLY d O 1 ? ? +37858 ATOM N N . THR X 20 41 ? 26.569 33.384 3.473 1.00 57.73 ? 52 THR d N 1 ? ? +37859 ATOM C CA . THR X 20 41 ? 25.140 33.665 3.542 1.00 57.39 ? 52 THR d CA 1 ? ? +37860 ATOM C CB . THR X 20 41 ? 24.367 32.507 4.190 1.00 56.80 ? 52 THR d CB 1 ? ? +37861 ATOM O OG1 . THR X 20 41 ? 24.844 32.249 5.509 1.00 57.13 ? 52 THR d OG1 1 ? ? +37862 ATOM C CG2 . THR X 20 41 ? 24.454 31.256 3.374 1.00 56.09 ? 52 THR d CG2 1 ? ? +37863 ATOM C C . THR X 20 41 ? 24.842 34.986 4.247 1.00 58.03 ? 52 THR d C 1 ? ? +37864 ATOM O O . THR X 20 41 ? 23.796 35.577 4.011 1.00 57.95 ? 52 THR d O 1 ? ? +37865 ATOM N N . THR X 20 42 ? 25.759 35.453 5.107 1.00 58.68 ? 53 THR d N 1 ? ? +37866 ATOM C CA . THR X 20 42 ? 25.569 36.707 5.820 1.00 59.33 ? 53 THR d CA 1 ? ? +37867 ATOM C CB . THR X 20 42 ? 26.276 36.648 7.154 1.00 59.82 ? 53 THR d CB 1 ? ? +37868 ATOM O OG1 . THR X 20 42 ? 25.759 35.524 7.881 1.00 59.31 ? 53 THR d OG1 1 ? ? +37869 ATOM C CG2 . THR X 20 42 ? 26.097 37.929 7.965 1.00 60.58 ? 53 THR d CG2 1 ? ? +37870 ATOM C C . THR X 20 42 ? 25.997 37.933 5.015 1.00 59.85 ? 53 THR d C 1 ? ? +37871 ATOM O O . THR X 20 42 ? 25.306 38.949 5.029 1.00 60.14 ? 53 THR d O 1 ? ? +37872 ATOM N N . PHE X 20 43 ? 27.122 37.824 4.299 1.00 59.98 ? 54 PHE d N 1 ? ? +37873 ATOM C CA . PHE X 20 43 ? 27.767 38.982 3.701 1.00 60.62 ? 54 PHE d CA 1 ? ? +37874 ATOM C CB . PHE X 20 43 ? 29.151 39.184 4.363 1.00 61.27 ? 54 PHE d CB 1 ? ? +37875 ATOM C CG . PHE X 20 43 ? 29.094 39.465 5.841 1.00 61.66 ? 54 PHE d CG 1 ? ? +37876 ATOM C CD1 . PHE X 20 43 ? 28.483 40.608 6.321 1.00 62.10 ? 54 PHE d CD1 1 ? ? +37877 ATOM C CD2 . PHE X 20 43 ? 29.646 38.584 6.751 1.00 61.62 ? 54 PHE d CD2 1 ? ? +37878 ATOM C CE1 . PHE X 20 43 ? 28.427 40.866 7.681 1.00 62.54 ? 54 PHE d CE1 1 ? ? +37879 ATOM C CE2 . PHE X 20 43 ? 29.591 38.843 8.108 1.00 62.07 ? 54 PHE d CE2 1 ? ? +37880 ATOM C CZ . PHE X 20 43 ? 28.982 39.986 8.566 1.00 62.54 ? 54 PHE d CZ 1 ? ? +37881 ATOM C C . PHE X 20 43 ? 27.980 38.963 2.187 1.00 60.44 ? 54 PHE d C 1 ? ? +37882 ATOM O O . PHE X 20 43 ? 28.141 40.029 1.595 1.00 60.91 ? 54 PHE d O 1 ? ? +37883 ATOM N N . VAL X 20 44 ? 28.010 37.773 1.569 1.00 59.85 ? 55 VAL d N 1 ? ? +37884 ATOM C CA . VAL X 20 44 ? 28.454 37.641 0.188 1.00 59.79 ? 55 VAL d CA 1 ? ? +37885 ATOM C CB . VAL X 20 44 ? 29.440 36.440 0.051 1.00 59.53 ? 55 VAL d CB 1 ? ? +37886 ATOM C CG1 . VAL X 20 44 ? 29.813 36.172 -1.400 1.00 59.23 ? 55 VAL d CG1 1 ? ? +37887 ATOM C CG2 . VAL X 20 44 ? 30.706 36.671 0.896 1.00 60.27 ? 55 VAL d CG2 1 ? ? +37888 ATOM C C . VAL X 20 44 ? 27.307 37.547 -0.821 1.00 59.38 ? 55 VAL d C 1 ? ? +37889 ATOM O O . VAL X 20 44 ? 26.329 36.825 -0.613 1.00 58.86 ? 55 VAL d O 1 ? ? +37890 ATOM N N . THR X 20 45 ? 27.480 38.277 -1.932 1.00 59.74 ? 56 THR d N 1 ? ? +37891 ATOM C CA . THR X 20 45 ? 26.531 38.345 -3.029 1.00 59.44 ? 56 THR d CA 1 ? ? +37892 ATOM C CB . THR X 20 45 ? 26.641 39.715 -3.759 1.00 60.08 ? 56 THR d CB 1 ? ? +37893 ATOM O OG1 . THR X 20 45 ? 25.559 39.877 -4.674 1.00 59.78 ? 56 THR d OG1 1 ? ? +37894 ATOM C CG2 . THR X 20 45 ? 27.940 39.881 -4.542 1.00 60.44 ? 56 THR d CG2 1 ? ? +37895 ATOM C C . THR X 20 45 ? 26.760 37.231 -4.040 1.00 58.93 ? 56 THR d C 1 ? ? +37896 ATOM O O . THR X 20 45 ? 27.798 36.566 -3.999 1.00 58.93 ? 56 THR d O 1 ? ? +37897 ATOM N N . SER X 20 46 ? 25.782 37.079 -4.948 1.00 58.52 ? 57 SER d N 1 ? ? +37898 ATOM C CA . SER X 20 46 ? 25.932 36.279 -6.149 1.00 58.12 ? 57 SER d CA 1 ? ? +37899 ATOM C CB . SER X 20 46 ? 25.024 35.062 -6.102 1.00 57.30 ? 57 SER d CB 1 ? ? +37900 ATOM O OG . SER X 20 46 ? 25.181 34.364 -4.883 1.00 57.19 ? 57 SER d OG 1 ? ? +37901 ATOM C C . SER X 20 46 ? 25.645 37.100 -7.404 1.00 58.48 ? 57 SER d C 1 ? ? +37902 ATOM O O . SER X 20 46 ? 25.380 36.539 -8.457 1.00 58.12 ? 57 SER d O 1 ? ? +37903 ATOM N N . TRP X 20 47 ? 25.729 38.426 -7.296 1.00 59.40 ? 58 TRP d N 1 ? ? +37904 ATOM C CA . TRP X 20 47 ? 25.503 39.315 -8.425 1.00 59.85 ? 58 TRP d CA 1 ? ? +37905 ATOM C CB . TRP X 20 47 ? 25.750 40.768 -7.974 1.00 60.83 ? 58 TRP d CB 1 ? ? +37906 ATOM C CG . TRP X 20 47 ? 25.177 41.813 -8.888 1.00 61.30 ? 58 TRP d CG 1 ? ? +37907 ATOM C CD1 . TRP X 20 47 ? 25.836 42.874 -9.430 1.00 62.10 ? 58 TRP d CD1 1 ? ? +37908 ATOM N NE1 . TRP X 20 47 ? 24.975 43.615 -10.209 1.00 62.27 ? 58 TRP d NE1 1 ? ? +37909 ATOM C CE2 . TRP X 20 47 ? 23.737 43.033 -10.185 1.00 61.56 ? 58 TRP d CE2 1 ? ? +37910 ATOM C CZ2 . TRP X 20 47 ? 22.551 43.413 -10.808 1.00 61.47 ? 58 TRP d CZ2 1 ? ? +37911 ATOM C CH2 . TRP X 20 47 ? 21.449 42.629 -10.595 1.00 60.77 ? 58 TRP d CH2 1 ? ? +37912 ATOM C CZ3 . TRP X 20 47 ? 21.507 41.499 -9.781 1.00 60.24 ? 58 TRP d CZ3 1 ? ? +37913 ATOM C CE3 . TRP X 20 47 ? 22.678 41.124 -9.160 1.00 60.30 ? 58 TRP d CE3 1 ? ? +37914 ATOM C CD2 . TRP X 20 47 ? 23.822 41.899 -9.356 1.00 60.97 ? 58 TRP d CD2 1 ? ? +37915 ATOM C C . TRP X 20 47 ? 26.344 39.018 -9.667 1.00 59.89 ? 58 TRP d C 1 ? ? +37916 ATOM O O . TRP X 20 47 ? 25.808 38.884 -10.762 1.00 59.57 ? 58 TRP d O 1 ? ? +37917 ATOM N N . TYR X 20 48 ? 27.665 38.906 -9.496 1.00 60.43 ? 59 TYR d N 1 ? ? +37918 ATOM C CA . TYR X 20 48 ? 28.578 38.795 -10.625 1.00 60.62 ? 59 TYR d CA 1 ? ? +37919 ATOM C CB . TYR X 20 48 ? 29.976 39.250 -10.192 1.00 61.58 ? 59 TYR d CB 1 ? ? +37920 ATOM C CG . TYR X 20 48 ? 29.956 40.629 -9.583 1.00 62.57 ? 59 TYR d CG 1 ? ? +37921 ATOM C CD1 . TYR X 20 48 ? 29.791 41.757 -10.373 1.00 63.21 ? 59 TYR d CD1 1 ? ? +37922 ATOM C CD2 . TYR X 20 48 ? 30.038 40.804 -8.212 1.00 62.96 ? 59 TYR d CD2 1 ? ? +37923 ATOM C CE1 . TYR X 20 48 ? 29.747 43.028 -9.818 1.00 64.01 ? 59 TYR d CE1 1 ? ? +37924 ATOM C CE2 . TYR X 20 48 ? 29.995 42.071 -7.644 1.00 63.81 ? 59 TYR d CE2 1 ? ? +37925 ATOM C CZ . TYR X 20 48 ? 29.842 43.181 -8.453 1.00 64.34 ? 59 TYR d CZ 1 ? ? +37926 ATOM O OH . TYR X 20 48 ? 29.808 44.438 -7.898 1.00 65.40 ? 59 TYR d OH 1 ? ? +37927 ATOM C C . TYR X 20 48 ? 28.634 37.392 -11.230 1.00 59.76 ? 59 TYR d C 1 ? ? +37928 ATOM O O . TYR X 20 48 ? 29.116 37.228 -12.345 1.00 59.78 ? 59 TYR d O 1 ? ? +37929 ATOM N N . THR X 20 49 ? 28.127 36.388 -10.497 1.00 59.07 ? 60 THR d N 1 ? ? +37930 ATOM C CA . THR X 20 49 ? 28.149 35.002 -10.938 1.00 58.19 ? 60 THR d CA 1 ? ? +37931 ATOM C CB . THR X 20 49 ? 28.640 34.100 -9.802 1.00 58.03 ? 60 THR d CB 1 ? ? +37932 ATOM O OG1 . THR X 20 49 ? 27.810 34.277 -8.651 1.00 57.95 ? 60 THR d OG1 1 ? ? +37933 ATOM C CG2 . THR X 20 49 ? 30.079 34.377 -9.424 1.00 58.64 ? 60 THR d CG2 1 ? ? +37934 ATOM C C . THR X 20 49 ? 26.795 34.501 -11.428 1.00 57.40 ? 60 THR d C 1 ? ? +37935 ATOM O O . THR X 20 49 ? 26.739 33.672 -12.333 1.00 56.93 ? 60 THR d O 1 ? ? +37936 ATOM N N . HIS X 20 50 ? 25.715 34.991 -10.808 1.00 57.29 ? 61 HIS d N 1 ? ? +37937 ATOM C CA . HIS X 20 50 ? 24.361 34.524 -11.086 1.00 56.60 ? 61 HIS d CA 1 ? ? +37938 ATOM C CB . HIS X 20 50 ? 23.836 33.720 -9.883 1.00 56.16 ? 61 HIS d CB 1 ? ? +37939 ATOM C CG . HIS X 20 50 ? 24.407 32.341 -9.743 1.00 55.66 ? 61 HIS d CG 1 ? ? +37940 ATOM N ND1 . HIS X 20 50 ? 23.623 31.217 -9.946 1.00 54.93 ? 61 HIS d ND1 1 ? ? +37941 ATOM C CE1 . HIS X 20 50 ? 24.419 30.174 -9.739 1.00 54.72 ? 61 HIS d CE1 1 ? ? +37942 ATOM N NE2 . HIS X 20 50 ? 25.655 30.569 -9.406 1.00 55.21 ? 61 HIS d NE2 1 ? ? +37943 ATOM C CD2 . HIS X 20 50 ? 25.657 31.943 -9.402 1.00 55.82 ? 61 HIS d CD2 1 ? ? +37944 ATOM C C . HIS X 20 50 ? 23.330 35.608 -11.405 1.00 56.81 ? 61 HIS d C 1 ? ? +37945 ATOM O O . HIS X 20 50 ? 22.300 35.313 -11.986 1.00 56.39 ? 61 HIS d O 1 ? ? +37946 ATOM N N . GLY X 20 51 ? 23.607 36.861 -11.042 1.00 57.59 ? 62 GLY d N 1 ? ? +37947 ATOM C CA . GLY X 20 51 ? 22.640 37.937 -11.155 1.00 57.90 ? 62 GLY d CA 1 ? ? +37948 ATOM C C . GLY X 20 51 ? 21.648 37.867 -10.001 1.00 57.76 ? 62 GLY d C 1 ? ? +37949 ATOM O O . GLY X 20 51 ? 20.464 38.145 -10.177 1.00 57.77 ? 62 GLY d O 1 ? ? +37950 ATOM N N . LEU X 20 52 ? 22.140 37.464 -8.820 1.00 57.71 ? 63 LEU d N 1 ? ? +37951 ATOM C CA . LEU X 20 52 ? 21.273 37.186 -7.684 1.00 57.39 ? 63 LEU d CA 1 ? ? +37952 ATOM C CB . LEU X 20 52 ? 21.155 35.686 -7.430 1.00 56.68 ? 63 LEU d CB 1 ? ? +37953 ATOM C CG . LEU X 20 52 ? 20.511 34.841 -8.474 1.00 56.03 ? 63 LEU d CG 1 ? ? +37954 ATOM C CD1 . LEU X 20 52 ? 20.539 33.407 -8.048 1.00 55.44 ? 63 LEU d CD1 1 ? ? +37955 ATOM C CD2 . LEU X 20 52 ? 19.118 35.268 -8.748 1.00 55.94 ? 63 LEU d CD2 1 ? ? +37956 ATOM C C . LEU X 20 52 ? 21.810 37.800 -6.400 1.00 57.84 ? 63 LEU d C 1 ? ? +37957 ATOM O O . LEU X 20 52 ? 23.005 37.745 -6.144 1.00 58.07 ? 63 LEU d O 1 ? ? +37958 ATOM N N . ALA X 20 53 ? 20.906 38.366 -5.593 1.00 57.90 ? 64 ALA d N 1 ? ? +37959 ATOM C CA . ALA X 20 53 ? 21.210 38.686 -4.211 1.00 58.22 ? 64 ALA d CA 1 ? ? +37960 ATOM C CB . ALA X 20 53 ? 20.262 39.733 -3.671 1.00 58.63 ? 64 ALA d CB 1 ? ? +37961 ATOM C C . ALA X 20 53 ? 21.088 37.371 -3.454 1.00 57.57 ? 64 ALA d C 1 ? ? +37962 ATOM O O . ALA X 20 53 ? 20.267 36.540 -3.829 1.00 57.05 ? 64 ALA d O 1 ? ? +37963 ATOM N N . SER X 20 54 ? 21.928 37.176 -2.429 1.00 57.67 ? 65 SER d N 1 ? ? +37964 ATOM C CA . SER X 20 54 ? 21.985 35.903 -1.730 1.00 57.09 ? 65 SER d CA 1 ? ? +37965 ATOM C CB . SER X 20 54 ? 22.832 34.929 -2.541 1.00 56.71 ? 65 SER d CB 1 ? ? +37966 ATOM O OG . SER X 20 54 ? 24.122 35.461 -2.780 1.00 57.29 ? 65 SER d OG 1 ? ? +37967 ATOM C C . SER X 20 54 ? 22.511 35.950 -0.298 1.00 57.37 ? 65 SER d C 1 ? ? +37968 ATOM O O . SER X 20 54 ? 22.902 34.924 0.248 1.00 57.05 ? 65 SER d O 1 ? ? +37969 ATOM N N . SER X 20 55 ? 22.464 37.129 0.325 1.00 57.99 ? 66 SER d N 1 ? ? +37970 ATOM C CA . SER X 20 55 ? 22.976 37.302 1.673 1.00 58.44 ? 66 SER d CA 1 ? ? +37971 ATOM C CB . SER X 20 55 ? 24.342 37.984 1.643 1.00 59.06 ? 66 SER d CB 1 ? ? +37972 ATOM O OG . SER X 20 55 ? 24.236 39.244 1.011 1.00 59.50 ? 66 SER d OG 1 ? ? +37973 ATOM C C . SER X 20 55 ? 22.024 38.125 2.531 1.00 58.77 ? 66 SER d C 1 ? ? +37974 ATOM O O . SER X 20 55 ? 21.206 38.874 2.010 1.00 58.77 ? 66 SER d O 1 ? ? +37975 ATOM N N . TYR X 20 56 ? 22.165 38.004 3.853 1.00 59.08 ? 67 TYR d N 1 ? ? +37976 ATOM C CA . TYR X 20 56 ? 21.360 38.790 4.767 1.00 59.55 ? 67 TYR d CA 1 ? ? +37977 ATOM C CB . TYR X 20 56 ? 21.677 38.443 6.222 1.00 59.82 ? 67 TYR d CB 1 ? ? +37978 ATOM C CG . TYR X 20 56 ? 21.357 37.010 6.572 1.00 59.24 ? 67 TYR d CG 1 ? ? +37979 ATOM C CD1 . TYR X 20 56 ? 20.084 36.479 6.337 1.00 58.71 ? 67 TYR d CD1 1 ? ? +37980 ATOM C CD2 . TYR X 20 56 ? 22.318 36.179 7.140 1.00 59.21 ? 67 TYR d CD2 1 ? ? +37981 ATOM C CE1 . TYR X 20 56 ? 19.789 35.156 6.645 1.00 58.19 ? 67 TYR d CE1 1 ? ? +37982 ATOM C CE2 . TYR X 20 56 ? 22.033 34.859 7.455 1.00 58.69 ? 67 TYR d CE2 1 ? ? +37983 ATOM C CZ . TYR X 20 56 ? 20.766 34.353 7.211 1.00 58.22 ? 67 TYR d CZ 1 ? ? +37984 ATOM O OH . TYR X 20 56 ? 20.490 33.046 7.524 1.00 57.81 ? 67 TYR d OH 1 ? ? +37985 ATOM C C . TYR X 20 56 ? 21.582 40.273 4.495 1.00 60.34 ? 67 TYR d C 1 ? ? +37986 ATOM O O . TYR X 20 56 ? 20.628 41.053 4.504 1.00 60.61 ? 67 TYR d O 1 ? ? +37987 ATOM N N . LEU X 20 57 ? 22.847 40.633 4.228 1.00 60.76 ? 68 LEU d N 1 ? ? +37988 ATOM C CA . LEU X 20 57 ? 23.232 42.005 3.963 1.00 61.44 ? 68 LEU d CA 1 ? ? +37989 ATOM C CB . LEU X 20 57 ? 24.731 42.066 3.635 1.00 61.77 ? 68 LEU d CB 1 ? ? +37990 ATOM C CG . LEU X 20 57 ? 25.302 43.450 3.362 1.00 62.58 ? 68 LEU d CG 1 ? ? +37991 ATOM C CD1 . LEU X 20 57 ? 25.033 44.398 4.497 1.00 63.25 ? 68 LEU d CD1 1 ? ? +37992 ATOM C CD2 . LEU X 20 57 ? 26.783 43.384 3.123 1.00 62.97 ? 68 LEU d CD2 1 ? ? +37993 ATOM C C . LEU X 20 57 ? 22.418 42.618 2.828 1.00 61.32 ? 68 LEU d C 1 ? ? +37994 ATOM O O . LEU X 20 57 ? 22.036 43.780 2.904 1.00 61.89 ? 68 LEU d O 1 ? ? +37995 ATOM N N . GLU X 20 58 ? 22.156 41.832 1.782 1.00 60.65 ? 69 GLU d N 1 ? ? +37996 ATOM C CA . GLU X 20 58 ? 21.408 42.314 0.634 1.00 60.54 ? 69 GLU d CA 1 ? ? +37997 ATOM C CB . GLU X 20 58 ? 21.767 41.480 -0.586 1.00 59.94 ? 69 GLU d CB 1 ? ? +37998 ATOM C CG . GLU X 20 58 ? 23.237 41.542 -0.951 1.00 60.24 ? 69 GLU d CG 1 ? ? +37999 ATOM C CD . GLU X 20 58 ? 23.614 40.593 -2.061 1.00 59.60 ? 69 GLU d CD 1 ? ? +38000 ATOM O OE2 . GLU X 20 58 ? 23.708 41.069 -3.212 1.00 59.69 ? 69 GLU d OE2 1 ? ? +38001 ATOM O OE1 . GLU X 20 58 ? 23.853 39.395 -1.793 1.00 59.04 ? 69 GLU d OE1 1 ? ? +38002 ATOM C C . GLU X 20 58 ? 19.890 42.291 0.811 1.00 60.30 ? 69 GLU d C 1 ? ? +38003 ATOM O O . GLU X 20 58 ? 19.173 42.821 -0.032 1.00 60.35 ? 69 GLU d O 1 ? ? +38004 ATOM N N . GLY X 20 59 ? 19.400 41.665 1.886 1.00 60.12 ? 70 GLY d N 1 ? ? +38005 ATOM C CA . GLY X 20 59 ? 17.978 41.666 2.193 1.00 59.92 ? 70 GLY d CA 1 ? ? +38006 ATOM C C . GLY X 20 59 ? 17.304 40.298 2.113 1.00 59.09 ? 70 GLY d C 1 ? ? +38007 ATOM O O . GLY X 20 59 ? 16.096 40.198 2.296 1.00 58.93 ? 70 GLY d O 1 ? ? +38008 ATOM N N . CYS X 20 60 ? 18.088 39.258 1.819 1.00 58.61 ? 71 CYS d N 1 ? ? +38009 ATOM C CA . CYS X 20 60 ? 17.596 37.899 1.790 1.00 57.87 ? 71 CYS d CA 1 ? ? +38010 ATOM C CB . CYS X 20 60 ? 18.602 36.979 1.121 1.00 57.51 ? 71 CYS d CB 1 ? ? +38011 ATOM S SG . CYS X 20 60 ? 18.763 37.229 -0.657 1.00 57.40 ? 71 CYS d SG 1 ? ? +38012 ATOM C C . CYS X 20 60 ? 17.294 37.441 3.210 1.00 57.94 ? 71 CYS d C 1 ? ? +38013 ATOM O O . CYS X 20 60 ? 17.836 38.002 4.161 1.00 58.48 ? 71 CYS d O 1 ? ? +38014 ATOM N N . ASN X 20 61 ? 16.443 36.411 3.319 1.00 57.36 ? 72 ASN d N 1 ? ? +38015 ATOM C CA . ASN X 20 61 ? 16.108 35.788 4.589 1.00 57.38 ? 72 ASN d CA 1 ? ? +38016 ATOM C CB . ASN X 20 61 ? 14.587 35.761 4.784 1.00 57.24 ? 72 ASN d CB 1 ? ? +38017 ATOM C CG . ASN X 20 61 ? 13.851 35.005 3.706 1.00 56.58 ? 72 ASN d CG 1 ? ? +38018 ATOM O OD1 . ASN X 20 61 ? 14.080 33.821 3.472 1.00 56.09 ? 72 ASN d OD1 1 ? ? +38019 ATOM N ND2 . ASN X 20 61 ? 12.964 35.674 3.009 1.00 56.64 ? 72 ASN d ND2 1 ? ? +38020 ATOM C C . ASN X 20 61 ? 16.703 34.381 4.646 1.00 56.89 ? 72 ASN d C 1 ? ? +38021 ATOM O O . ASN X 20 61 ? 17.312 33.934 3.674 1.00 56.60 ? 72 ASN d O 1 ? ? +38022 ATOM N N . PHE X 20 62 ? 16.499 33.678 5.773 1.00 56.84 ? 73 PHE d N 1 ? ? +38023 ATOM C CA . PHE X 20 62 ? 17.051 32.344 5.968 1.00 56.47 ? 73 PHE d CA 1 ? ? +38024 ATOM C CB . PHE X 20 62 ? 16.538 31.704 7.259 1.00 56.49 ? 73 PHE d CB 1 ? ? +38025 ATOM C CG . PHE X 20 62 ? 16.996 30.271 7.425 1.00 56.13 ? 73 PHE d CG 1 ? ? +38026 ATOM C CD1 . PHE X 20 62 ? 18.354 29.962 7.522 1.00 56.31 ? 73 PHE d CD1 1 ? ? +38027 ATOM C CD2 . PHE X 20 62 ? 16.078 29.228 7.444 1.00 55.59 ? 73 PHE d CD2 1 ? ? +38028 ATOM C CE1 . PHE X 20 62 ? 18.777 28.645 7.660 1.00 55.93 ? 73 PHE d CE1 1 ? ? +38029 ATOM C CE2 . PHE X 20 62 ? 16.502 27.915 7.576 1.00 55.23 ? 73 PHE d CE2 1 ? ? +38030 ATOM C CZ . PHE X 20 62 ? 17.848 27.629 7.687 1.00 55.42 ? 73 PHE d CZ 1 ? ? +38031 ATOM C C . PHE X 20 62 ? 16.786 31.364 4.824 1.00 55.76 ? 73 PHE d C 1 ? ? +38032 ATOM O O . PHE X 20 62 ? 17.644 30.531 4.516 1.00 55.63 ? 73 PHE d O 1 ? ? +38033 ATOM N N . LEU X 20 63 ? 15.611 31.471 4.196 1.00 55.42 ? 74 LEU d N 1 ? ? +38034 ATOM C CA . LEU X 20 63 ? 15.250 30.583 3.111 1.00 54.73 ? 74 LEU d CA 1 ? ? +38035 ATOM C CB . LEU X 20 63 ? 13.716 30.594 2.901 1.00 54.53 ? 74 LEU d CB 1 ? ? +38036 ATOM C CG . LEU X 20 63 ? 12.859 30.174 4.088 1.00 54.55 ? 74 LEU d CG 1 ? ? +38037 ATOM C CD1 . LEU X 20 63 ? 11.402 30.235 3.758 1.00 54.40 ? 74 LEU d CD1 1 ? ? +38038 ATOM C CD2 . LEU X 20 63 ? 13.161 28.797 4.516 1.00 54.18 ? 74 LEU d CD2 1 ? ? +38039 ATOM C C . LEU X 20 63 ? 15.928 30.933 1.792 1.00 54.65 ? 74 LEU d C 1 ? ? +38040 ATOM O O . LEU X 20 63 ? 16.139 30.039 0.979 1.00 54.23 ? 74 LEU d O 1 ? ? +38041 ATOM N N . THR X 20 64 ? 16.242 32.217 1.556 1.00 55.15 ? 75 THR d N 1 ? ? +38042 ATOM C CA . THR X 20 64 ? 16.755 32.635 0.257 1.00 55.12 ? 75 THR d CA 1 ? ? +38043 ATOM C CB . THR X 20 64 ? 15.961 33.830 -0.266 1.00 55.41 ? 75 THR d CB 1 ? ? +38044 ATOM O OG1 . THR X 20 64 ? 16.069 34.921 0.626 1.00 56.09 ? 75 THR d OG1 1 ? ? +38045 ATOM C CG2 . THR X 20 64 ? 14.472 33.493 -0.457 1.00 55.09 ? 75 THR d CG2 1 ? ? +38046 ATOM C C . THR X 20 64 ? 18.252 32.920 0.190 1.00 55.48 ? 75 THR d C 1 ? ? +38047 ATOM O O . THR X 20 64 ? 18.783 33.095 -0.903 1.00 55.55 ? 75 THR d O 1 ? ? +38048 ATOM N N . VAL X 20 65 ? 18.939 32.963 1.338 1.00 55.80 ? 76 VAL d N 1 ? ? +38049 ATOM C CA . VAL X 20 65 ? 20.385 33.123 1.329 1.00 56.13 ? 76 VAL d CA 1 ? ? +38050 ATOM C CB . VAL X 20 65 ? 21.012 33.438 2.706 1.00 56.72 ? 76 VAL d CB 1 ? ? +38051 ATOM C CG1 . VAL X 20 65 ? 20.524 34.778 3.251 1.00 57.34 ? 76 VAL d CG1 1 ? ? +38052 ATOM C CG2 . VAL X 20 65 ? 20.779 32.313 3.706 1.00 56.45 ? 76 VAL d CG2 1 ? ? +38053 ATOM C C . VAL X 20 65 ? 21.032 31.864 0.771 1.00 55.53 ? 76 VAL d C 1 ? ? +38054 ATOM O O . VAL X 20 65 ? 20.500 30.769 0.911 1.00 55.19 ? 76 VAL d O 1 ? ? +38055 ATOM N N . ALA X 20 66 ? 22.184 32.038 0.136 1.00 55.60 ? 77 ALA d N 1 ? ? +38056 ATOM C CA . ALA X 20 66 ? 22.996 30.915 -0.289 1.00 55.14 ? 77 ALA d CA 1 ? ? +38057 ATOM C CB . ALA X 20 66 ? 22.507 30.380 -1.613 1.00 54.53 ? 77 ALA d CB 1 ? ? +38058 ATOM C C . ALA X 20 66 ? 24.445 31.367 -0.419 1.00 55.57 ? 77 ALA d C 1 ? ? +38059 ATOM O O . ALA X 20 66 ? 24.715 32.559 -0.465 1.00 56.08 ? 77 ALA d O 1 ? ? +38060 ATOM N N . VAL X 20 67 ? 25.350 30.392 -0.440 1.00 55.34 ? 78 VAL d N 1 ? ? +38061 ATOM C CA . VAL X 20 67 ? 26.632 30.543 -1.093 1.00 55.64 ? 78 VAL d CA 1 ? ? +38062 ATOM C CB . VAL X 20 67 ? 27.775 29.909 -0.287 1.00 55.86 ? 78 VAL d CB 1 ? ? +38063 ATOM C CG1 . VAL X 20 67 ? 29.097 29.990 -1.041 1.00 56.13 ? 78 VAL d CG1 1 ? ? +38064 ATOM C CG2 . VAL X 20 67 ? 27.879 30.550 1.088 1.00 56.44 ? 78 VAL d CG2 1 ? ? +38065 ATOM C C . VAL X 20 67 ? 26.433 29.880 -2.446 1.00 55.06 ? 78 VAL d C 1 ? ? +38066 ATOM O O . VAL X 20 67 ? 26.368 28.660 -2.521 1.00 54.60 ? 78 VAL d O 1 ? ? +38067 ATOM N N . SER X 20 68 ? 26.322 30.695 -3.497 1.00 55.24 ? 79 SER d N 1 ? ? +38068 ATOM C CA . SER X 20 68 ? 26.064 30.207 -4.841 1.00 54.78 ? 79 SER d CA 1 ? ? +38069 ATOM C CB . SER X 20 68 ? 25.400 31.286 -5.688 1.00 54.89 ? 79 SER d CB 1 ? ? +38070 ATOM O OG . SER X 20 68 ? 24.242 31.802 -5.061 1.00 54.89 ? 79 SER d OG 1 ? ? +38071 ATOM C C . SER X 20 68 ? 27.328 29.721 -5.549 1.00 54.92 ? 79 SER d C 1 ? ? +38072 ATOM O O . SER X 20 68 ? 28.443 30.129 -5.230 1.00 55.53 ? 79 SER d O 1 ? ? +38073 ATOM N N . THR X 20 69 ? 27.121 28.857 -6.544 1.00 54.45 ? 80 THR d N 1 ? ? +38074 ATOM C CA . THR X 20 69 ? 28.201 28.297 -7.336 1.00 54.43 ? 80 THR d CA 1 ? ? +38075 ATOM C CB . THR X 20 69 ? 27.624 27.263 -8.289 1.00 53.69 ? 80 THR d CB 1 ? ? +38076 ATOM O OG1 . THR X 20 69 ? 26.547 27.861 -9.026 1.00 53.49 ? 80 THR d OG1 1 ? ? +38077 ATOM C CG2 . THR X 20 69 ? 27.137 26.059 -7.564 1.00 53.15 ? 80 THR d CG2 1 ? ? +38078 ATOM C C . THR X 20 69 ? 28.937 29.391 -8.094 1.00 55.05 ? 80 THR d C 1 ? ? +38079 ATOM O O . THR X 20 69 ? 28.408 30.478 -8.286 1.00 55.29 ? 80 THR d O 1 ? ? +38080 ATOM N N . PRO X 20 70 ? 30.191 29.156 -8.532 1.00 55.45 ? 81 PRO d N 1 ? ? +38081 ATOM C CA . PRO X 20 70 ? 30.895 30.139 -9.355 1.00 56.08 ? 81 PRO d CA 1 ? ? +38082 ATOM C CB . PRO X 20 70 ? 32.306 29.547 -9.477 1.00 56.26 ? 81 PRO d CB 1 ? ? +38083 ATOM C CG . PRO X 20 70 ? 32.413 28.540 -8.361 1.00 55.97 ? 81 PRO d CG 1 ? ? +38084 ATOM C CD . PRO X 20 70 ? 31.036 27.998 -8.195 1.00 55.30 ? 81 PRO d CD 1 ? ? +38085 ATOM C C . PRO X 20 70 ? 30.221 30.335 -10.711 1.00 55.87 ? 81 PRO d C 1 ? ? +38086 ATOM O O . PRO X 20 70 ? 29.318 29.584 -11.085 1.00 55.18 ? 81 PRO d O 1 ? ? +38087 ATOM N N . ALA X 20 71 ? 30.684 31.359 -11.435 1.00 56.48 ? 82 ALA d N 1 ? ? +38088 ATOM C CA . ALA X 20 71 ? 30.222 31.614 -12.783 1.00 56.40 ? 82 ALA d CA 1 ? ? +38089 ATOM C CB . ALA X 20 71 ? 30.766 32.918 -13.296 1.00 57.14 ? 82 ALA d CB 1 ? ? +38090 ATOM C C . ALA X 20 71 ? 30.627 30.459 -13.692 1.00 56.07 ? 82 ALA d C 1 ? ? +38091 ATOM O O . ALA X 20 71 ? 31.631 29.792 -13.460 1.00 56.24 ? 82 ALA d O 1 ? ? +38092 ATOM N N . ASN X 20 72 ? 29.796 30.206 -14.707 1.00 55.71 ? 83 ASN d N 1 ? ? +38093 ATOM C CA . ASN X 20 72 ? 30.046 29.150 -15.668 1.00 55.25 ? 83 ASN d CA 1 ? ? +38094 ATOM C CB . ASN X 20 72 ? 28.923 29.119 -16.692 1.00 54.69 ? 83 ASN d CB 1 ? ? +38095 ATOM C CG . ASN X 20 72 ? 29.055 27.978 -17.651 1.00 54.13 ? 83 ASN d CG 1 ? ? +38096 ATOM O OD1 . ASN X 20 72 ? 28.951 26.795 -17.302 1.00 53.57 ? 83 ASN d OD1 1 ? ? +38097 ATOM N ND2 . ASN X 20 72 ? 29.282 28.284 -18.891 1.00 54.27 ? 83 ASN d ND2 1 ? ? +38098 ATOM C C . ASN X 20 72 ? 31.397 29.306 -16.365 1.00 55.84 ? 83 ASN d C 1 ? ? +38099 ATOM O O . ASN X 20 72 ? 32.014 28.319 -16.738 1.00 55.63 ? 83 ASN d O 1 ? ? +38100 ATOM N N . SER X 20 73 ? 31.851 30.544 -16.551 1.00 56.70 ? 84 SER d N 1 ? ? +38101 ATOM C CA . SER X 20 73 ? 33.106 30.791 -17.237 1.00 57.39 ? 84 SER d CA 1 ? ? +38102 ATOM C CB . SER X 20 73 ? 33.239 32.271 -17.554 1.00 58.11 ? 84 SER d CB 1 ? ? +38103 ATOM O OG . SER X 20 73 ? 33.206 33.051 -16.370 1.00 58.57 ? 84 SER d OG 1 ? ? +38104 ATOM C C . SER X 20 73 ? 34.339 30.316 -16.464 1.00 57.94 ? 84 SER d C 1 ? ? +38105 ATOM O O . SER X 20 73 ? 35.428 30.220 -17.032 1.00 58.42 ? 84 SER d O 1 ? ? +38106 ATOM N N . MET X 20 74 ? 34.167 30.017 -15.171 1.00 58.07 ? 85 MET d N 1 ? ? +38107 ATOM C CA . MET X 20 74 ? 35.243 29.480 -14.357 1.00 58.50 ? 85 MET d CA 1 ? ? +38108 ATOM C CB . MET X 20 74 ? 34.910 29.661 -12.868 1.00 58.91 ? 85 MET d CB 1 ? ? +38109 ATOM C CG . MET X 20 74 ? 34.773 31.100 -12.441 1.00 59.91 ? 85 MET d CG 1 ? ? +38110 ATOM S SD . MET X 20 74 ? 36.321 32.035 -12.596 1.00 61.72 ? 85 MET d SD 1 ? ? +38111 ATOM C CE . MET X 20 74 ? 35.834 33.256 -13.752 1.00 62.22 ? 85 MET d CE 1 ? ? +38112 ATOM C C . MET X 20 74 ? 35.497 27.994 -14.625 1.00 57.75 ? 85 MET d C 1 ? ? +38113 ATOM O O . MET X 20 74 ? 36.451 27.432 -14.089 1.00 57.98 ? 85 MET d O 1 ? ? +38114 ATOM N N . GLY X 20 75 ? 34.631 27.351 -15.427 1.00 56.80 ? 86 GLY d N 1 ? ? +38115 ATOM C CA . GLY X 20 75 ? 34.681 25.911 -15.619 1.00 56.01 ? 86 GLY d CA 1 ? ? +38116 ATOM C C . GLY X 20 75 ? 34.738 25.151 -14.296 1.00 55.74 ? 86 GLY d C 1 ? ? +38117 ATOM O O . GLY X 20 75 ? 33.983 25.441 -13.374 1.00 55.59 ? 86 GLY d O 1 ? ? +38118 ATOM N N . HIS X 20 76 ? 35.665 24.191 -14.213 1.00 55.74 ? 87 HIS d N 1 ? ? +38119 ATOM C CA . HIS X 20 76 ? 35.916 23.425 -12.999 1.00 55.56 ? 87 HIS d CA 1 ? ? +38120 ATOM C CB . HIS X 20 76 ? 36.032 21.949 -13.348 1.00 54.98 ? 87 HIS d CB 1 ? ? +38121 ATOM C CG . HIS X 20 76 ? 34.883 21.440 -14.158 1.00 54.27 ? 87 HIS d CG 1 ? ? +38122 ATOM N ND1 . HIS X 20 76 ? 34.976 21.308 -15.533 1.00 54.18 ? 87 HIS d ND1 1 ? ? +38123 ATOM C CE1 . HIS X 20 76 ? 33.787 20.851 -15.930 1.00 53.53 ? 87 HIS d CE1 1 ? ? +38124 ATOM N NE2 . HIS X 20 76 ? 32.960 20.688 -14.888 1.00 53.19 ? 87 HIS d NE2 1 ? ? +38125 ATOM C CD2 . HIS X 20 76 ? 33.642 21.072 -13.762 1.00 53.67 ? 87 HIS d CD2 1 ? ? +38126 ATOM C C . HIS X 20 76 ? 37.176 23.889 -12.258 1.00 56.25 ? 87 HIS d C 1 ? ? +38127 ATOM O O . HIS X 20 76 ? 37.846 23.101 -11.592 1.00 56.37 ? 87 HIS d O 1 ? ? +38128 ATOM N N . SER X 20 77 ? 37.476 25.187 -12.349 1.00 56.70 ? 88 SER d N 1 ? ? +38129 ATOM C CA . SER X 20 77 ? 38.553 25.779 -11.585 1.00 57.41 ? 88 SER d CA 1 ? ? +38130 ATOM C CB . SER X 20 77 ? 38.577 27.283 -11.801 1.00 58.06 ? 88 SER d CB 1 ? ? +38131 ATOM O OG . SER X 20 77 ? 39.478 27.920 -10.910 1.00 58.90 ? 88 SER d OG 1 ? ? +38132 ATOM C C . SER X 20 77 ? 38.409 25.480 -10.096 1.00 57.31 ? 88 SER d C 1 ? ? +38133 ATOM O O . SER X 20 77 ? 37.309 25.568 -9.558 1.00 56.84 ? 88 SER d O 1 ? ? +38134 ATOM N N . LEU X 20 78 ? 39.537 25.163 -9.438 1.00 57.65 ? 89 LEU d N 1 ? ? +38135 ATOM C CA . LEU X 20 78 ? 39.582 24.973 -7.999 1.00 57.73 ? 89 LEU d CA 1 ? ? +38136 ATOM C CB . LEU X 20 78 ? 40.943 24.415 -7.592 1.00 58.26 ? 89 LEU d CB 1 ? ? +38137 ATOM C CG . LEU X 20 78 ? 41.300 23.011 -8.098 1.00 57.82 ? 89 LEU d CG 1 ? ? +38138 ATOM C CD1 . LEU X 20 78 ? 42.778 22.668 -7.797 1.00 58.48 ? 89 LEU d CD1 1 ? ? +38139 ATOM C CD2 . LEU X 20 78 ? 40.402 21.978 -7.506 1.00 57.10 ? 89 LEU d CD2 1 ? ? +38140 ATOM C C . LEU X 20 78 ? 39.323 26.299 -7.282 1.00 58.22 ? 89 LEU d C 1 ? ? +38141 ATOM O O . LEU X 20 78 ? 38.927 26.312 -6.120 1.00 58.26 ? 89 LEU d O 1 ? ? +38142 ATOM N N . LEU X 20 79 ? 39.535 27.410 -8.003 1.00 58.61 ? 90 LEU d N 1 ? ? +38143 ATOM C CA . LEU X 20 79 ? 39.351 28.756 -7.485 1.00 59.10 ? 90 LEU d CA 1 ? ? +38144 ATOM C CB . LEU X 20 79 ? 37.864 29.091 -7.349 1.00 58.65 ? 90 LEU d CB 1 ? ? +38145 ATOM C CG . LEU X 20 79 ? 37.262 29.774 -8.552 1.00 58.55 ? 90 LEU d CG 1 ? ? +38146 ATOM C CD1 . LEU X 20 79 ? 35.704 29.834 -8.443 1.00 57.96 ? 90 LEU d CD1 1 ? ? +38147 ATOM C CD2 . LEU X 20 79 ? 37.837 31.165 -8.724 1.00 59.38 ? 90 LEU d CD2 1 ? ? +38148 ATOM C C . LEU X 20 79 ? 40.077 28.955 -6.160 1.00 59.66 ? 90 LEU d C 1 ? ? +38149 ATOM O O . LEU X 20 79 ? 39.516 29.462 -5.193 1.00 59.74 ? 90 LEU d O 1 ? ? +38150 ATOM N N . LEU X 20 80 ? 41.361 28.601 -6.156 1.00 60.05 ? 91 LEU d N 1 ? ? +38151 ATOM C CA . LEU X 20 80 ? 42.190 28.817 -4.985 1.00 60.67 ? 91 LEU d CA 1 ? ? +38152 ATOM C CB . LEU X 20 80 ? 43.556 28.159 -5.149 1.00 61.10 ? 91 LEU d CB 1 ? ? +38153 ATOM C CG . LEU X 20 80 ? 43.526 26.667 -5.530 1.00 60.44 ? 91 LEU d CG 1 ? ? +38154 ATOM C CD1 . LEU X 20 80 ? 44.924 26.130 -5.667 1.00 60.96 ? 91 LEU d CD1 1 ? ? +38155 ATOM C CD2 . LEU X 20 80 ? 42.726 25.831 -4.512 1.00 59.87 ? 91 LEU d CD2 1 ? ? +38156 ATOM C C . LEU X 20 80 ? 42.298 30.327 -4.813 1.00 61.32 ? 91 LEU d C 1 ? ? +38157 ATOM O O . LEU X 20 80 ? 42.232 31.067 -5.798 1.00 61.50 ? 91 LEU d O 1 ? ? +38158 ATOM N N . LEU X 20 81 ? 42.409 30.766 -3.555 1.00 61.66 ? 92 LEU d N 1 ? ? +38159 ATOM C CA . LEU X 20 81 ? 42.534 32.178 -3.249 1.00 62.35 ? 92 LEU d CA 1 ? ? +38160 ATOM C CB . LEU X 20 81 ? 42.640 32.387 -1.728 1.00 62.77 ? 92 LEU d CB 1 ? ? +38161 ATOM C CG . LEU X 20 81 ? 42.917 33.806 -1.264 1.00 63.63 ? 92 LEU d CG 1 ? ? +38162 ATOM C CD1 . LEU X 20 81 ? 41.874 34.757 -1.757 1.00 63.45 ? 92 LEU d CD1 1 ? ? +38163 ATOM C CD2 . LEU X 20 81 ? 42.952 33.895 0.235 1.00 63.99 ? 92 LEU d CD2 1 ? ? +38164 ATOM C C . LEU X 20 81 ? 43.753 32.764 -3.957 1.00 63.04 ? 92 LEU d C 1 ? ? +38165 ATOM O O . LEU X 20 81 ? 43.685 33.871 -4.492 1.00 63.48 ? 92 LEU d O 1 ? ? +38166 ATOM N N . TRP X 20 82 ? 44.851 31.997 -3.969 1.00 63.15 ? 93 TRP d N 1 ? ? +38167 ATOM C CA . TRP X 20 82 ? 46.108 32.404 -4.585 1.00 63.82 ? 93 TRP d CA 1 ? ? +38168 ATOM C CB . TRP X 20 82 ? 47.289 31.810 -3.796 1.00 64.31 ? 93 TRP d CB 1 ? ? +38169 ATOM C CG . TRP X 20 82 ? 47.256 30.315 -3.720 1.00 63.59 ? 93 TRP d CG 1 ? ? +38170 ATOM C CD1 . TRP X 20 82 ? 47.676 29.427 -4.665 1.00 63.26 ? 93 TRP d CD1 1 ? ? +38171 ATOM N NE1 . TRP X 20 82 ? 47.437 28.145 -4.247 1.00 62.64 ? 93 TRP d NE1 1 ? ? +38172 ATOM C CE2 . TRP X 20 82 ? 46.847 28.182 -3.013 1.00 62.56 ? 93 TRP d CE2 1 ? ? +38173 ATOM C CZ2 . TRP X 20 82 ? 46.414 27.146 -2.184 1.00 62.08 ? 93 TRP d CZ2 1 ? ? +38174 ATOM C CH2 . TRP X 20 82 ? 45.834 27.494 -0.983 1.00 62.14 ? 93 TRP d CH2 1 ? ? +38175 ATOM C CZ3 . TRP X 20 82 ? 45.689 28.832 -0.602 1.00 62.68 ? 93 TRP d CZ3 1 ? ? +38176 ATOM C CE3 . TRP X 20 82 ? 46.111 29.858 -1.429 1.00 63.17 ? 93 TRP d CE3 1 ? ? +38177 ATOM C CD2 . TRP X 20 82 ? 46.708 29.538 -2.656 1.00 63.12 ? 93 TRP d CD2 1 ? ? +38178 ATOM C C . TRP X 20 82 ? 46.216 31.978 -6.049 1.00 63.41 ? 93 TRP d C 1 ? ? +38179 ATOM O O . TRP X 20 82 ? 47.281 32.106 -6.653 1.00 63.99 ? 93 TRP d O 1 ? ? +38180 ATOM N N . GLY X 20 83 ? 45.122 31.440 -6.604 1.00 62.42 ? 94 GLY d N 1 ? ? +38181 ATOM C CA . GLY X 20 83 ? 45.110 30.993 -7.982 1.00 62.00 ? 94 GLY d CA 1 ? ? +38182 ATOM C C . GLY X 20 83 ? 45.089 32.137 -8.995 1.00 62.42 ? 94 GLY d C 1 ? ? +38183 ATOM O O . GLY X 20 83 ? 45.033 33.308 -8.634 1.00 62.96 ? 94 GLY d O 1 ? ? +38184 ATOM N N . PRO X 20 84 ? 45.103 31.818 -10.304 1.00 62.22 ? 95 PRO d N 1 ? ? +38185 ATOM C CA . PRO X 20 84 ? 45.183 32.837 -11.348 1.00 62.75 ? 95 PRO d CA 1 ? ? +38186 ATOM C CB . PRO X 20 84 ? 45.508 32.007 -12.589 1.00 62.37 ? 95 PRO d CB 1 ? ? +38187 ATOM C CG . PRO X 20 84 ? 44.943 30.654 -12.304 1.00 61.44 ? 95 PRO d CG 1 ? ? +38188 ATOM C CD . PRO X 20 84 ? 45.059 30.450 -10.835 1.00 61.52 ? 95 PRO d CD 1 ? ? +38189 ATOM C C . PRO X 20 84 ? 43.928 33.687 -11.556 1.00 62.68 ? 95 PRO d C 1 ? ? +38190 ATOM O O . PRO X 20 84 ? 44.020 34.774 -12.122 1.00 63.27 ? 95 PRO d O 1 ? ? +38191 ATOM N N . GLU X 20 85 ? 42.768 33.198 -11.091 1.00 62.04 ? 96 GLU d N 1 ? ? +38192 ATOM C CA . GLU X 20 85 ? 41.519 33.934 -11.198 1.00 61.89 ? 96 GLU d CA 1 ? ? +38193 ATOM C CB . GLU X 20 85 ? 40.334 33.002 -10.963 1.00 60.95 ? 96 GLU d CB 1 ? ? +38194 ATOM C CG . GLU X 20 85 ? 40.306 31.800 -11.884 1.00 60.33 ? 96 GLU d CG 1 ? ? +38195 ATOM C CD . GLU X 20 85 ? 41.052 30.564 -11.417 1.00 60.20 ? 96 GLU d CD 1 ? ? +38196 ATOM O OE1 . GLU X 20 85 ? 41.601 30.554 -10.289 1.00 60.66 ? 96 GLU d OE1 1 ? ? +38197 ATOM O OE2 . GLU X 20 85 ? 41.059 29.583 -12.193 1.00 59.73 ? 96 GLU d OE2 1 ? ? +38198 ATOM C C . GLU X 20 85 ? 41.424 35.107 -10.222 1.00 62.65 ? 96 GLU d C 1 ? ? +38199 ATOM O O . GLU X 20 85 ? 41.187 36.240 -10.631 1.00 63.15 ? 96 GLU d O 1 ? ? +38200 ATOM N N . ALA X 20 86 ? 41.576 34.823 -8.924 1.00 62.86 ? 97 ALA d N 1 ? ? +38201 ATOM C CA . ALA X 20 86 ? 41.473 35.838 -7.886 1.00 63.55 ? 97 ALA d CA 1 ? ? +38202 ATOM C CB . ALA X 20 86 ? 41.001 35.210 -6.591 1.00 63.17 ? 97 ALA d CB 1 ? ? +38203 ATOM C C . ALA X 20 86 ? 42.799 36.551 -7.639 1.00 64.82 ? 97 ALA d C 1 ? ? +38204 ATOM O O . ALA X 20 86 ? 42.805 37.720 -7.251 1.00 65.55 ? 97 ALA d O 1 ? ? +38205 ATOM N N . GLN X 20 87 ? 43.914 35.826 -7.831 1.00 65.18 ? 98 GLN d N 1 ? ? +38206 ATOM C CA . GLN X 20 87 ? 45.256 36.381 -7.703 1.00 66.34 ? 98 GLN d CA 1 ? ? +38207 ATOM C CB . GLN X 20 87 ? 45.520 37.465 -8.752 1.00 67.10 ? 98 GLN d CB 1 ? ? +38208 ATOM C CG . GLN X 20 87 ? 45.270 37.006 -10.173 1.00 66.76 ? 98 GLN d CG 1 ? ? +38209 ATOM C CD . GLN X 20 87 ? 45.429 38.098 -11.211 1.00 67.57 ? 98 GLN d CD 1 ? ? +38210 ATOM O OE1 . GLN X 20 87 ? 45.687 39.301 -10.958 1.00 68.53 ? 98 GLN d OE1 1 ? ? +38211 ATOM N NE2 . GLN X 20 87 ? 45.280 37.694 -12.440 1.00 67.31 ? 98 GLN d NE2 1 ? ? +38212 ATOM C C . GLN X 20 87 ? 45.491 36.961 -6.315 1.00 66.90 ? 98 GLN d C 1 ? ? +38213 ATOM O O . GLN X 20 87 ? 46.111 38.010 -6.183 1.00 67.88 ? 98 GLN d O 1 ? ? +38214 ATOM N N . GLY X 20 88 ? 44.975 36.276 -5.290 1.00 66.41 ? 99 GLY d N 1 ? ? +38215 ATOM C CA . GLY X 20 88 ? 45.237 36.638 -3.910 1.00 66.94 ? 99 GLY d CA 1 ? ? +38216 ATOM C C . GLY X 20 88 ? 44.342 37.739 -3.357 1.00 67.11 ? 99 GLY d C 1 ? ? +38217 ATOM O O . GLY X 20 88 ? 44.452 38.083 -2.186 1.00 67.53 ? 99 GLY d O 1 ? ? +38218 ATOM N N . ASP X 20 89 ? 43.443 38.280 -4.186 1.00 66.85 ? 100 ASP d N 1 ? ? +38219 ATOM C CA . ASP X 20 89 ? 42.524 39.304 -3.714 1.00 67.02 ? 100 ASP d CA 1 ? ? +38220 ATOM C CB . ASP X 20 89 ? 42.137 40.247 -4.847 1.00 67.18 ? 100 ASP d CB 1 ? ? +38221 ATOM C CG . ASP X 20 89 ? 41.316 41.423 -4.369 1.00 67.53 ? 100 ASP d CG 1 ? ? +38222 ATOM O OD1 . ASP X 20 89 ? 40.301 41.197 -3.674 1.00 67.07 ? 100 ASP d OD1 1 ? ? +38223 ATOM O OD2 . ASP X 20 89 ? 41.685 42.559 -4.677 1.00 68.34 ? 100 ASP d OD2 1 ? ? +38224 ATOM C C . ASP X 20 89 ? 41.283 38.655 -3.097 1.00 66.08 ? 100 ASP d C 1 ? ? +38225 ATOM O O . ASP X 20 89 ? 40.483 38.057 -3.801 1.00 65.24 ? 100 ASP d O 1 ? ? +38226 ATOM N N . PHE X 20 90 ? 41.139 38.796 -1.774 1.00 66.30 ? 101 PHE d N 1 ? ? +38227 ATOM C CA . PHE X 20 90 ? 40.082 38.165 -1.006 1.00 65.61 ? 101 PHE d CA 1 ? ? +38228 ATOM C CB . PHE X 20 90 ? 40.272 38.476 0.495 1.00 66.18 ? 101 PHE d CB 1 ? ? +38229 ATOM C CG . PHE X 20 90 ? 39.147 37.971 1.360 1.00 65.66 ? 101 PHE d CG 1 ? ? +38230 ATOM C CD1 . PHE X 20 90 ? 39.075 36.637 1.722 1.00 65.09 ? 101 PHE d CD1 1 ? ? +38231 ATOM C CD2 . PHE X 20 90 ? 38.118 38.818 1.758 1.00 65.70 ? 101 PHE d CD2 1 ? ? +38232 ATOM C CE1 . PHE X 20 90 ? 38.010 36.168 2.487 1.00 64.57 ? 101 PHE d CE1 1 ? ? +38233 ATOM C CE2 . PHE X 20 90 ? 37.060 38.342 2.521 1.00 65.16 ? 101 PHE d CE2 1 ? ? +38234 ATOM C CZ . PHE X 20 90 ? 37.010 37.023 2.878 1.00 64.59 ? 101 PHE d CZ 1 ? ? +38235 ATOM C C . PHE X 20 90 ? 38.690 38.617 -1.450 1.00 65.16 ? 101 PHE d C 1 ? ? +38236 ATOM O O . PHE X 20 90 ? 37.758 37.813 -1.518 1.00 64.29 ? 101 PHE d O 1 ? ? +38237 ATOM N N . THR X 20 91 ? 38.551 39.920 -1.720 1.00 65.75 ? 102 THR d N 1 ? ? +38238 ATOM C CA . THR X 20 91 ? 37.273 40.494 -2.107 1.00 65.37 ? 102 THR d CA 1 ? ? +38239 ATOM C CB . THR X 20 91 ? 37.350 42.019 -2.099 1.00 66.23 ? 102 THR d CB 1 ? ? +38240 ATOM O OG1 . THR X 20 91 ? 37.679 42.456 -0.794 1.00 66.84 ? 102 THR d OG1 1 ? ? +38241 ATOM C CG2 . THR X 20 91 ? 36.054 42.666 -2.481 1.00 65.95 ? 102 THR d CG2 1 ? ? +38242 ATOM C C . THR X 20 91 ? 36.838 39.932 -3.455 1.00 64.66 ? 102 THR d C 1 ? ? +38243 ATOM O O . THR X 20 91 ? 35.708 39.484 -3.598 1.00 63.88 ? 102 THR d O 1 ? ? +38244 ATOM N N . ARG X 20 92 ? 37.751 39.937 -4.431 1.00 64.98 ? 103 ARG d N 1 ? ? +38245 ATOM C CA . ARG X 20 92 ? 37.446 39.416 -5.754 1.00 64.41 ? 103 ARG d CA 1 ? ? +38246 ATOM C CB . ARG X 20 92 ? 38.622 39.663 -6.704 1.00 65.21 ? 103 ARG d CB 1 ? ? +38247 ATOM C CG . ARG X 20 92 ? 38.857 41.137 -6.980 1.00 66.34 ? 103 ARG d CG 1 ? ? +38248 ATOM C CD . ARG X 20 92 ? 37.785 41.739 -7.870 1.00 66.29 ? 103 ARG d CD 1 ? ? +38249 ATOM N NE . ARG X 20 92 ? 37.952 43.181 -7.991 1.00 67.36 ? 103 ARG d NE 1 ? ? +38250 ATOM C CZ . ARG X 20 92 ? 37.625 44.065 -7.056 1.00 68.06 ? 103 ARG d CZ 1 ? ? +38251 ATOM N NH1 . ARG X 20 92 ? 36.817 43.753 -6.051 1.00 67.75 ? 103 ARG d NH1 1 ? ? +38252 ATOM N NH2 . ARG X 20 92 ? 38.081 45.308 -7.156 1.00 69.09 ? 103 ARG d NH2 1 ? ? +38253 ATOM C C . ARG X 20 92 ? 37.110 37.929 -5.706 1.00 63.25 ? 103 ARG d C 1 ? ? +38254 ATOM O O . ARG X 20 92 ? 36.194 37.474 -6.384 1.00 62.55 ? 103 ARG d O 1 ? ? +38255 ATOM N N . TRP X 20 93 ? 37.862 37.186 -4.891 1.00 63.06 ? 104 TRP d N 1 ? ? +38256 ATOM C CA . TRP X 20 93 ? 37.644 35.765 -4.679 1.00 62.08 ? 104 TRP d CA 1 ? ? +38257 ATOM C CB . TRP X 20 93 ? 38.669 35.287 -3.650 1.00 62.34 ? 104 TRP d CB 1 ? ? +38258 ATOM C CG . TRP X 20 93 ? 38.700 33.821 -3.370 1.00 61.54 ? 104 TRP d CG 1 ? ? +38259 ATOM C CD1 . TRP X 20 93 ? 38.988 32.816 -4.241 1.00 60.98 ? 104 TRP d CD1 1 ? ? +38260 ATOM N NE1 . TRP X 20 93 ? 38.944 31.607 -3.596 1.00 60.49 ? 104 TRP d NE1 1 ? ? +38261 ATOM C CE2 . TRP X 20 93 ? 38.639 31.821 -2.280 1.00 60.71 ? 104 TRP d CE2 1 ? ? +38262 ATOM C CZ2 . TRP X 20 93 ? 38.474 30.924 -1.240 1.00 60.47 ? 104 TRP d CZ2 1 ? ? +38263 ATOM C CH2 . TRP X 20 93 ? 38.139 31.436 -0.013 1.00 60.79 ? 104 TRP d CH2 1 ? ? +38264 ATOM C CZ3 . TRP X 20 93 ? 37.958 32.797 0.184 1.00 61.34 ? 104 TRP d CZ3 1 ? ? +38265 ATOM C CE3 . TRP X 20 93 ? 38.126 33.690 -0.845 1.00 61.61 ? 104 TRP d CE3 1 ? ? +38266 ATOM C CD2 . TRP X 20 93 ? 38.470 33.204 -2.108 1.00 61.30 ? 104 TRP d CD2 1 ? ? +38267 ATOM C C . TRP X 20 93 ? 36.219 35.470 -4.213 1.00 61.36 ? 104 TRP d C 1 ? ? +38268 ATOM O O . TRP X 20 93 ? 35.607 34.499 -4.638 1.00 60.48 ? 104 TRP d O 1 ? ? +38269 ATOM N N . CYS X 20 94 ? 35.721 36.313 -3.310 1.00 61.73 ? 105 CYS d N 1 ? ? +38270 ATOM C CA . CYS X 20 94 ? 34.350 36.237 -2.849 1.00 61.24 ? 105 CYS d CA 1 ? ? +38271 ATOM C CB . CYS X 20 94 ? 34.131 37.217 -1.702 1.00 61.89 ? 105 CYS d CB 1 ? ? +38272 ATOM S SG . CYS X 20 94 ? 34.865 36.710 -0.132 1.00 62.32 ? 105 CYS d SG 1 ? ? +38273 ATOM C C . CYS X 20 94 ? 33.359 36.477 -3.988 1.00 60.76 ? 105 CYS d C 1 ? ? +38274 ATOM O O . CYS X 20 94 ? 32.432 35.696 -4.166 1.00 59.98 ? 105 CYS d O 1 ? ? +38275 ATOM N N . GLN X 20 95 ? 33.588 37.540 -4.771 1.00 61.29 ? 106 GLN d N 1 ? ? +38276 ATOM C CA . GLN X 20 95 ? 32.701 37.933 -5.856 1.00 60.97 ? 106 GLN d CA 1 ? ? +38277 ATOM C CB . GLN X 20 95 ? 33.067 39.337 -6.393 1.00 61.78 ? 106 GLN d CB 1 ? ? +38278 ATOM C CG . GLN X 20 95 ? 33.025 40.457 -5.361 1.00 62.52 ? 106 GLN d CG 1 ? ? +38279 ATOM C CD . GLN X 20 95 ? 33.709 41.731 -5.831 1.00 63.45 ? 106 GLN d CD 1 ? ? +38280 ATOM O OE1 . GLN X 20 95 ? 34.849 41.722 -6.346 1.00 63.94 ? 106 GLN d OE1 1 ? ? +38281 ATOM N NE2 . GLN X 20 95 ? 33.039 42.858 -5.658 1.00 63.82 ? 106 GLN d NE2 1 ? ? +38282 ATOM C C . GLN X 20 95 ? 32.748 36.969 -7.036 1.00 60.31 ? 106 GLN d C 1 ? ? +38283 ATOM O O . GLN X 20 95 ? 31.863 36.998 -7.883 1.00 59.98 ? 106 GLN d O 1 ? ? +38284 ATOM N N . LEU X 20 96 ? 33.793 36.140 -7.115 1.00 60.25 ? 107 LEU d N 1 ? ? +38285 ATOM C CA . LEU X 20 96 ? 33.936 35.204 -8.220 1.00 59.65 ? 107 LEU d CA 1 ? ? +38286 ATOM C CB . LEU X 20 96 ? 35.418 35.079 -8.616 1.00 60.21 ? 107 LEU d CB 1 ? ? +38287 ATOM C CG . LEU X 20 96 ? 36.049 36.316 -9.244 1.00 61.08 ? 107 LEU d CG 1 ? ? +38288 ATOM C CD1 . LEU X 20 96 ? 37.529 36.084 -9.602 1.00 61.55 ? 107 LEU d CD1 1 ? ? +38289 ATOM C CD2 . LEU X 20 96 ? 35.295 36.744 -10.458 1.00 60.93 ? 107 LEU d CD2 1 ? ? +38290 ATOM C C . LEU X 20 96 ? 33.370 33.826 -7.883 1.00 58.68 ? 107 LEU d C 1 ? ? +38291 ATOM O O . LEU X 20 96 ? 33.273 32.970 -8.762 1.00 58.08 ? 107 LEU d O 1 ? ? +38292 ATOM N N . GLY X 20 97 ? 32.988 33.638 -6.612 1.00 58.51 ? 108 GLY d N 1 ? ? +38293 ATOM C CA . GLY X 20 97 ? 32.379 32.407 -6.136 1.00 57.73 ? 108 GLY d CA 1 ? ? +38294 ATOM C C . GLY X 20 97 ? 33.344 31.448 -5.447 1.00 57.70 ? 108 GLY d C 1 ? ? +38295 ATOM O O . GLY X 20 97 ? 33.063 30.256 -5.350 1.00 57.16 ? 108 GLY d O 1 ? ? +38296 ATOM N N . GLY X 20 98 ? 34.475 31.982 -4.971 1.00 58.35 ? 109 GLY d N 1 ? ? +38297 ATOM C CA . GLY X 20 98 ? 35.517 31.189 -4.337 1.00 58.40 ? 109 GLY d CA 1 ? ? +38298 ATOM C C . GLY X 20 98 ? 35.053 30.495 -3.063 1.00 58.02 ? 109 GLY d C 1 ? ? +38299 ATOM O O . GLY X 20 98 ? 35.520 29.411 -2.737 1.00 57.76 ? 109 GLY d O 1 ? ? +38300 ATOM N N . LEU X 20 99 ? 34.116 31.119 -2.346 1.00 57.98 ? 110 LEU d N 1 ? ? +38301 ATOM C CA . LEU X 20 99 ? 33.564 30.500 -1.153 1.00 57.67 ? 110 LEU d CA 1 ? ? +38302 ATOM C CB . LEU X 20 99 ? 32.591 31.441 -0.444 1.00 57.89 ? 110 LEU d CB 1 ? ? +38303 ATOM C CG . LEU X 20 99 ? 33.243 32.556 0.368 1.00 58.84 ? 110 LEU d CG 1 ? ? +38304 ATOM C CD1 . LEU X 20 99 ? 32.236 33.231 1.229 1.00 58.98 ? 110 LEU d CD1 1 ? ? +38305 ATOM C CD2 . LEU X 20 99 ? 34.414 32.050 1.253 1.00 59.29 ? 110 LEU d CD2 1 ? ? +38306 ATOM C C . LEU X 20 99 ? 32.891 29.160 -1.433 1.00 56.66 ? 110 LEU d C 1 ? ? +38307 ATOM O O . LEU X 20 99 ? 32.867 28.302 -0.558 1.00 56.44 ? 110 LEU d O 1 ? ? +38308 ATOM N N . TRP X 20 100 ? 32.403 28.957 -2.660 1.00 56.04 ? 111 TRP d N 1 ? ? +38309 ATOM C CA . TRP X 20 100 ? 31.763 27.699 -2.998 1.00 55.19 ? 111 TRP d CA 1 ? ? +38310 ATOM C CB . TRP X 20 100 ? 31.024 27.770 -4.340 1.00 54.71 ? 111 TRP d CB 1 ? ? +38311 ATOM C CG . TRP X 20 100 ? 30.153 26.576 -4.521 1.00 53.89 ? 111 TRP d CG 1 ? ? +38312 ATOM C CD1 . TRP X 20 100 ? 28.843 26.463 -4.164 1.00 53.52 ? 111 TRP d CD1 1 ? ? +38313 ATOM N NE1 . TRP X 20 100 ? 28.385 25.206 -4.453 1.00 52.86 ? 111 TRP d NE1 1 ? ? +38314 ATOM C CE2 . TRP X 20 100 ? 29.410 24.473 -5.001 1.00 52.77 ? 111 TRP d CE2 1 ? ? +38315 ATOM C CZ2 . TRP X 20 100 ? 29.435 23.162 -5.456 1.00 52.21 ? 111 TRP d CZ2 1 ? ? +38316 ATOM C CH2 . TRP X 20 100 ? 30.611 22.694 -5.961 1.00 52.33 ? 111 TRP d CH2 1 ? ? +38317 ATOM C CZ3 . TRP X 20 100 ? 31.742 23.493 -6.026 1.00 52.98 ? 111 TRP d CZ3 1 ? ? +38318 ATOM C CE3 . TRP X 20 100 ? 31.718 24.796 -5.587 1.00 53.54 ? 111 TRP d CE3 1 ? ? +38319 ATOM C CD2 . TRP X 20 100 ? 30.534 25.310 -5.064 1.00 53.42 ? 111 TRP d CD2 1 ? ? +38320 ATOM C C . TRP X 20 100 ? 32.731 26.518 -2.998 1.00 55.02 ? 111 TRP d C 1 ? ? +38321 ATOM O O . TRP X 20 100 ? 32.444 25.494 -2.381 1.00 54.59 ? 111 TRP d O 1 ? ? +38322 ATOM N N . THR X 20 101 ? 33.855 26.652 -3.724 1.00 55.35 ? 112 THR d N 1 ? ? +38323 ATOM C CA . THR X 20 101 ? 34.862 25.597 -3.760 1.00 55.29 ? 112 THR d CA 1 ? ? +38324 ATOM C CB . THR X 20 101 ? 35.892 25.830 -4.847 1.00 55.62 ? 112 THR d CB 1 ? ? +38325 ATOM O OG1 . THR X 20 101 ? 36.490 27.111 -4.674 1.00 56.38 ? 112 THR d OG1 1 ? ? +38326 ATOM C CG2 . THR X 20 101 ? 35.281 25.702 -6.239 1.00 55.10 ? 112 THR d CG2 1 ? ? +38327 ATOM C C . THR X 20 101 ? 35.519 25.428 -2.394 1.00 55.70 ? 112 THR d C 1 ? ? +38328 ATOM O O . THR X 20 101 ? 35.771 24.300 -1.972 1.00 55.47 ? 112 THR d O 1 ? ? +38329 ATOM N N . PHE X 20 102 ? 35.755 26.556 -1.708 1.00 56.35 ? 113 PHE d N 1 ? ? +38330 ATOM C CA . PHE X 20 102 ? 36.195 26.554 -0.319 1.00 56.83 ? 113 PHE d CA 1 ? ? +38331 ATOM C CB . PHE X 20 102 ? 36.156 27.978 0.251 1.00 57.45 ? 113 PHE d CB 1 ? ? +38332 ATOM C CG . PHE X 20 102 ? 36.744 28.132 1.631 1.00 58.07 ? 113 PHE d CG 1 ? ? +38333 ATOM C CD1 . PHE X 20 102 ? 38.126 28.272 1.810 1.00 58.78 ? 113 PHE d CD1 1 ? ? +38334 ATOM C CD2 . PHE X 20 102 ? 35.933 28.139 2.748 1.00 57.97 ? 113 PHE d CD2 1 ? ? +38335 ATOM C CE1 . PHE X 20 102 ? 38.665 28.425 3.076 1.00 59.37 ? 113 PHE d CE1 1 ? ? +38336 ATOM C CE2 . PHE X 20 102 ? 36.472 28.281 4.014 1.00 58.58 ? 113 PHE d CE2 1 ? ? +38337 ATOM C CZ . PHE X 20 102 ? 37.838 28.425 4.173 1.00 59.30 ? 113 PHE d CZ 1 ? ? +38338 ATOM C C . PHE X 20 102 ? 35.334 25.616 0.528 1.00 56.39 ? 113 PHE d C 1 ? ? +38339 ATOM O O . PHE X 20 102 ? 35.839 24.661 1.117 1.00 56.33 ? 113 PHE d O 1 ? ? +38340 ATOM N N . ILE X 20 103 ? 34.014 25.867 0.541 1.00 56.06 ? 114 ILE d N 1 ? ? +38341 ATOM C CA . ILE X 20 103 ? 33.098 25.064 1.331 1.00 55.63 ? 114 ILE d CA 1 ? ? +38342 ATOM C CB . ILE X 20 103 ? 31.687 25.690 1.380 1.00 55.41 ? 114 ILE d CB 1 ? ? +38343 ATOM C CG1 . ILE X 20 103 ? 31.720 27.066 2.089 1.00 56.13 ? 114 ILE d CG1 1 ? ? +38344 ATOM C CG2 . ILE X 20 103 ? 30.676 24.743 2.064 1.00 54.87 ? 114 ILE d CG2 1 ? ? +38345 ATOM C CD1 . ILE X 20 103 ? 30.467 27.909 1.822 1.00 55.97 ? 114 ILE d CD1 1 ? ? +38346 ATOM C C . ILE X 20 103 ? 33.058 23.623 0.832 1.00 55.00 ? 114 ILE d C 1 ? ? +38347 ATOM O O . ILE X 20 103 ? 33.183 22.697 1.625 1.00 54.97 ? 114 ILE d O 1 ? ? +38348 ATOM N N . ALA X 20 104 ? 32.894 23.428 -0.478 1.00 54.59 ? 115 ALA d N 1 ? ? +38349 ATOM C CA . ALA X 20 104 ? 32.768 22.083 -1.020 1.00 53.99 ? 115 ALA d CA 1 ? ? +38350 ATOM C CB . ALA X 20 104 ? 32.546 22.137 -2.520 1.00 53.60 ? 115 ALA d CB 1 ? ? +38351 ATOM C C . ALA X 20 104 ? 33.979 21.207 -0.702 1.00 54.25 ? 115 ALA d C 1 ? ? +38352 ATOM O O . ALA X 20 104 ? 33.825 20.059 -0.290 1.00 53.90 ? 115 ALA d O 1 ? ? +38353 ATOM N N . LEU X 20 105 ? 35.184 21.757 -0.894 1.00 54.90 ? 116 LEU d N 1 ? ? +38354 ATOM C CA . LEU X 20 105 ? 36.405 20.995 -0.704 1.00 55.22 ? 116 LEU d CA 1 ? ? +38355 ATOM C CB . LEU X 20 105 ? 37.545 21.716 -1.419 1.00 55.83 ? 116 LEU d CB 1 ? ? +38356 ATOM C CG . LEU X 20 105 ? 37.400 21.760 -2.939 1.00 55.50 ? 116 LEU d CG 1 ? ? +38357 ATOM C CD1 . LEU X 20 105 ? 38.422 22.715 -3.574 1.00 56.18 ? 116 LEU d CD1 1 ? ? +38358 ATOM C CD2 . LEU X 20 105 ? 37.564 20.386 -3.534 1.00 54.99 ? 116 LEU d CD2 1 ? ? +38359 ATOM C C . LEU X 20 105 ? 36.737 20.767 0.770 1.00 55.63 ? 116 LEU d C 1 ? ? +38360 ATOM O O . LEU X 20 105 ? 37.114 19.662 1.154 1.00 55.55 ? 116 LEU d O 1 ? ? +38361 ATOM N N . HIS X 20 106 ? 36.599 21.801 1.603 1.00 56.13 ? 117 HIS d N 1 ? ? +38362 ATOM C CA . HIS X 20 106 ? 36.802 21.622 3.033 1.00 56.55 ? 117 HIS d CA 1 ? ? +38363 ATOM C CB . HIS X 20 106 ? 36.837 22.962 3.775 1.00 57.15 ? 117 HIS d CB 1 ? ? +38364 ATOM C CG . HIS X 20 106 ? 38.053 23.793 3.500 1.00 57.86 ? 117 HIS d CG 1 ? ? +38365 ATOM N ND1 . HIS X 20 106 ? 39.129 23.783 4.357 1.00 58.55 ? 117 HIS d ND1 1 ? ? +38366 ATOM C CE1 . HIS X 20 106 ? 40.006 24.603 3.838 1.00 59.06 ? 117 HIS d CE1 1 ? ? +38367 ATOM N NE2 . HIS X 20 106 ? 39.573 25.122 2.696 1.00 58.74 ? 117 HIS d NE2 1 ? ? +38368 ATOM C CD2 . HIS X 20 106 ? 38.346 24.607 2.462 1.00 57.97 ? 117 HIS d CD2 1 ? ? +38369 ATOM C C . HIS X 20 106 ? 35.719 20.696 3.595 1.00 56.07 ? 117 HIS d C 1 ? ? +38370 ATOM O O . HIS X 20 106 ? 35.997 19.829 4.416 1.00 56.17 ? 117 HIS d O 1 ? ? +38371 ATOM N N . GLY X 20 107 ? 34.478 20.864 3.131 1.00 55.61 ? 118 GLY d N 1 ? ? +38372 ATOM C CA . GLY X 20 107 ? 33.401 19.958 3.497 1.00 55.11 ? 118 GLY d CA 1 ? ? +38373 ATOM C C . GLY X 20 107 ? 33.726 18.501 3.181 1.00 54.79 ? 118 GLY d C 1 ? ? +38374 ATOM O O . GLY X 20 107 ? 33.478 17.612 3.995 1.00 54.70 ? 118 GLY d O 1 ? ? +38375 ATOM N N . ALA X 20 108 ? 34.297 18.271 1.994 1.00 54.71 ? 119 ALA d N 1 ? ? +38376 ATOM C CA . ALA X 20 108 ? 34.648 16.929 1.570 1.00 54.42 ? 119 ALA d CA 1 ? ? +38377 ATOM C CB . ALA X 20 108 ? 35.153 16.940 0.146 1.00 54.23 ? 119 ALA d CB 1 ? ? +38378 ATOM C C . ALA X 20 108 ? 35.677 16.309 2.514 1.00 55.04 ? 119 ALA d C 1 ? ? +38379 ATOM O O . ALA X 20 108 ? 35.467 15.201 3.000 1.00 54.81 ? 119 ALA d O 1 ? ? +38380 ATOM N N . PHE X 20 109 ? 36.781 17.024 2.779 1.00 55.93 ? 120 PHE d N 1 ? ? +38381 ATOM C CA . PHE X 20 109 ? 37.812 16.525 3.677 1.00 56.60 ? 120 PHE d CA 1 ? ? +38382 ATOM C CB . PHE X 20 109 ? 39.058 17.412 3.607 1.00 57.62 ? 120 PHE d CB 1 ? ? +38383 ATOM C CG . PHE X 20 109 ? 39.843 17.138 2.357 1.00 57.88 ? 120 PHE d CG 1 ? ? +38384 ATOM C CD1 . PHE X 20 109 ? 40.564 15.965 2.218 1.00 57.96 ? 120 PHE d CD1 1 ? ? +38385 ATOM C CD2 . PHE X 20 109 ? 39.812 18.024 1.292 1.00 58.04 ? 120 PHE d CD2 1 ? ? +38386 ATOM C CE1 . PHE X 20 109 ? 41.255 15.697 1.047 1.00 58.03 ? 120 PHE d CE1 1 ? ? +38387 ATOM C CE2 . PHE X 20 109 ? 40.511 17.755 0.123 1.00 58.08 ? 120 PHE d CE2 1 ? ? +38388 ATOM C CZ . PHE X 20 109 ? 41.228 16.595 0.007 1.00 58.07 ? 120 PHE d CZ 1 ? ? +38389 ATOM C C . PHE X 20 109 ? 37.330 16.406 5.120 1.00 56.67 ? 120 PHE d C 1 ? ? +38390 ATOM O O . PHE X 20 109 ? 37.765 15.516 5.851 1.00 56.80 ? 120 PHE d O 1 ? ? +38391 ATOM N N . GLY X 20 110 ? 36.435 17.315 5.524 1.00 56.55 ? 121 GLY d N 1 ? ? +38392 ATOM C CA . GLY X 20 110 ? 35.783 17.219 6.818 1.00 56.53 ? 121 GLY d CA 1 ? ? +38393 ATOM C C . GLY X 20 110 ? 35.000 15.919 6.998 1.00 55.81 ? 121 GLY d C 1 ? ? +38394 ATOM O O . GLY X 20 110 ? 35.022 15.326 8.071 1.00 55.94 ? 121 GLY d O 1 ? ? +38395 ATOM N N . LEU X 20 111 ? 34.309 15.490 5.936 1.00 55.02 ? 122 LEU d N 1 ? ? +38396 ATOM C CA . LEU X 20 111 ? 33.541 14.251 5.947 1.00 54.35 ? 122 LEU d CA 1 ? ? +38397 ATOM C CB . LEU X 20 111 ? 32.679 14.182 4.695 1.00 53.66 ? 122 LEU d CB 1 ? ? +38398 ATOM C CG . LEU X 20 111 ? 31.430 15.102 4.681 1.00 53.50 ? 122 LEU d CG 1 ? ? +38399 ATOM C CD1 . LEU X 20 111 ? 30.701 15.021 3.365 1.00 52.87 ? 122 LEU d CD1 1 ? ? +38400 ATOM C CD2 . LEU X 20 111 ? 30.438 14.746 5.759 1.00 53.39 ? 122 LEU d CD2 1 ? ? +38401 ATOM C C . LEU X 20 111 ? 34.441 13.020 6.048 1.00 54.32 ? 122 LEU d C 1 ? ? +38402 ATOM O O . LEU X 20 111 ? 34.132 12.067 6.758 1.00 54.08 ? 122 LEU d O 1 ? ? +38403 ATOM N N . ILE X 20 112 ? 35.581 13.063 5.347 1.00 54.55 ? 123 ILE d N 1 ? ? +38404 ATOM C CA . ILE X 20 112 ? 36.617 12.050 5.487 1.00 54.65 ? 123 ILE d CA 1 ? ? +38405 ATOM C CB . ILE X 20 112 ? 37.760 12.354 4.517 1.00 55.03 ? 123 ILE d CB 1 ? ? +38406 ATOM C CG1 . ILE X 20 112 ? 37.294 12.205 3.065 1.00 54.45 ? 123 ILE d CG1 1 ? ? +38407 ATOM C CG2 . ILE X 20 112 ? 39.002 11.463 4.798 1.00 55.49 ? 123 ILE d CG2 1 ? ? +38408 ATOM C CD1 . ILE X 20 112 ? 38.318 12.652 2.052 1.00 54.79 ? 123 ILE d CD1 1 ? ? +38409 ATOM C C . ILE X 20 112 ? 37.069 11.989 6.943 1.00 55.07 ? 123 ILE d C 1 ? ? +38410 ATOM O O . ILE X 20 112 ? 37.139 10.915 7.537 1.00 54.95 ? 123 ILE d O 1 ? ? +38411 ATOM N N . GLY X 20 113 ? 37.355 13.165 7.507 1.00 55.55 ? 124 GLY d N 1 ? ? +38412 ATOM C CA . GLY X 20 113 ? 37.745 13.293 8.899 1.00 56.14 ? 124 GLY d CA 1 ? ? +38413 ATOM C C . GLY X 20 113 ? 36.743 12.678 9.871 1.00 55.88 ? 124 GLY d C 1 ? ? +38414 ATOM O O . GLY X 20 113 ? 37.131 11.960 10.793 1.00 56.16 ? 124 GLY d O 1 ? ? +38415 ATOM N N A PHE X 20 114 ? 35.451 12.961 9.655 0.40 55.33 ? 125 PHE d N 1 ? ? +38416 ATOM N N B PHE X 20 114 ? 35.449 12.953 9.644 0.60 55.35 ? 125 PHE d N 1 ? ? +38417 ATOM C CA A PHE X 20 114 ? 34.408 12.459 10.534 0.40 55.08 ? 125 PHE d CA 1 ? ? +38418 ATOM C CA B PHE X 20 114 ? 34.407 12.461 10.527 0.60 55.11 ? 125 PHE d CA 1 ? ? +38419 ATOM C C A PHE X 20 114 ? 34.332 10.938 10.466 0.40 54.70 ? 125 PHE d C 1 ? ? +38420 ATOM C C B PHE X 20 114 ? 34.320 10.940 10.464 0.60 54.71 ? 125 PHE d C 1 ? ? +38421 ATOM O O A PHE X 20 114 ? 34.228 10.273 11.490 0.40 54.87 ? 125 PHE d O 1 ? ? +38422 ATOM O O B PHE X 20 114 ? 34.185 10.277 11.488 0.60 54.84 ? 125 PHE d O 1 ? ? +38423 ATOM C CB A PHE X 20 114 ? 33.046 13.065 10.188 0.40 54.58 ? 125 PHE d CB 1 ? ? +38424 ATOM C CB B PHE X 20 114 ? 33.052 13.085 10.195 0.60 54.64 ? 125 PHE d CB 1 ? ? +38425 ATOM C CG A PHE X 20 114 ? 32.021 12.843 11.268 0.40 54.51 ? 125 PHE d CG 1 ? ? +38426 ATOM C CG B PHE X 20 114 ? 32.041 12.794 11.270 0.60 54.60 ? 125 PHE d CG 1 ? ? +38427 ATOM C CD1 A PHE X 20 114 ? 32.009 13.629 12.408 0.40 55.08 ? 125 PHE d CD1 1 ? ? +38428 ATOM C CD1 B PHE X 20 114 ? 32.014 13.536 12.437 0.60 55.21 ? 125 PHE d CD1 1 ? ? +38429 ATOM C CD2 A PHE X 20 114 ? 31.099 11.821 11.166 0.40 53.92 ? 125 PHE d CD2 1 ? ? +38430 ATOM C CD2 B PHE X 20 114 ? 31.166 11.732 11.147 0.60 54.03 ? 125 PHE d CD2 1 ? ? +38431 ATOM C CE1 A PHE X 20 114 ? 31.080 13.405 13.411 0.40 55.08 ? 125 PHE d CE1 1 ? ? +38432 ATOM C CE1 B PHE X 20 114 ? 31.105 13.243 13.443 0.60 55.23 ? 125 PHE d CE1 1 ? ? +38433 ATOM C CE2 A PHE X 20 114 ? 30.162 11.610 12.167 0.40 53.92 ? 125 PHE d CE2 1 ? ? +38434 ATOM C CE2 B PHE X 20 114 ? 30.251 11.447 12.150 0.60 54.06 ? 125 PHE d CE2 1 ? ? +38435 ATOM C CZ A PHE X 20 114 ? 30.158 12.399 13.282 0.40 54.49 ? 125 PHE d CZ 1 ? ? +38436 ATOM C CZ B PHE X 20 114 ? 30.222 12.202 13.290 0.60 54.63 ? 125 PHE d CZ 1 ? ? +38437 ATOM N N . MET X 20 115 ? 34.415 10.392 9.254 1.00 54.23 ? 126 MET d N 1 ? ? +38438 ATOM C CA . MET X 20 115 ? 34.413 8.953 9.084 1.00 53.99 ? 126 MET d CA 1 ? ? +38439 ATOM C CB . MET X 20 115 ? 34.272 8.587 7.612 1.00 53.53 ? 126 MET d CB 1 ? ? +38440 ATOM C CG . MET X 20 115 ? 34.061 7.115 7.400 1.00 53.25 ? 126 MET d CG 1 ? ? +38441 ATOM S SD . MET X 20 115 ? 33.443 6.748 5.766 1.00 52.74 ? 126 MET d SD 1 ? ? +38442 ATOM C CE . MET X 20 115 ? 33.459 5.004 5.794 1.00 52.49 ? 126 MET d CE 1 ? ? +38443 ATOM C C . MET X 20 115 ? 35.654 8.301 9.695 1.00 54.57 ? 126 MET d C 1 ? ? +38444 ATOM O O . MET X 20 115 ? 35.536 7.219 10.267 1.00 54.59 ? 126 MET d O 1 ? ? +38445 ATOM N N . LEU X 20 116 ? 36.830 8.946 9.588 1.00 55.07 ? 127 LEU d N 1 ? ? +38446 ATOM C CA . LEU X 20 116 ? 38.021 8.440 10.251 1.00 55.68 ? 127 LEU d CA 1 ? ? +38447 ATOM C CB . LEU X 20 116 ? 39.291 9.218 9.834 1.00 56.25 ? 127 LEU d CB 1 ? ? +38448 ATOM C CG . LEU X 20 116 ? 39.785 8.994 8.404 1.00 55.90 ? 127 LEU d CG 1 ? ? +38449 ATOM C CD1 . LEU X 20 116 ? 40.853 10.000 8.029 1.00 56.46 ? 127 LEU d CD1 1 ? ? +38450 ATOM C CD2 . LEU X 20 116 ? 40.301 7.598 8.220 1.00 55.79 ? 127 LEU d CD2 1 ? ? +38451 ATOM C C . LEU X 20 116 ? 37.852 8.496 11.766 1.00 56.19 ? 127 LEU d C 1 ? ? +38452 ATOM O O . LEU X 20 116 ? 38.310 7.597 12.461 1.00 56.45 ? 127 LEU d O 1 ? ? +38453 ATOM N N . ARG X 20 117 ? 37.206 9.556 12.271 1.00 56.38 ? 128 ARG d N 1 ? ? +38454 ATOM C CA . ARG X 20 117 ? 36.860 9.669 13.684 1.00 56.88 ? 128 ARG d CA 1 ? ? +38455 ATOM C CB . ARG X 20 117 ? 36.116 10.991 13.951 1.00 56.99 ? 128 ARG d CB 1 ? ? +38456 ATOM C CG . ARG X 20 117 ? 35.611 11.204 15.383 1.00 57.41 ? 128 ARG d CG 1 ? ? +38457 ATOM C CD . ARG X 20 117 ? 34.802 12.496 15.491 1.00 57.42 ? 128 ARG d CD 1 ? ? +38458 ATOM N NE . ARG X 20 117 ? 34.441 12.838 16.862 1.00 57.93 ? 128 ARG d NE 1 ? ? +38459 ATOM C CZ . ARG X 20 117 ? 35.208 13.500 17.721 1.00 58.83 ? 128 ARG d CZ 1 ? ? +38460 ATOM N NH1 . ARG X 20 117 ? 36.466 13.828 17.436 1.00 59.37 ? 128 ARG d NH1 1 ? ? +38461 ATOM N NH2 . ARG X 20 117 ? 34.709 13.828 18.909 1.00 59.20 ? 128 ARG d NH2 1 ? ? +38462 ATOM C C . ARG X 20 117 ? 36.000 8.512 14.195 1.00 56.60 ? 128 ARG d C 1 ? ? +38463 ATOM O O . ARG X 20 117 ? 36.216 8.033 15.303 1.00 57.11 ? 128 ARG d O 1 ? ? +38464 ATOM N N A GLN X 20 118 ? 35.026 8.079 13.384 0.40 55.84 ? 129 GLN d N 1 ? ? +38465 ATOM N N B GLN X 20 118 ? 35.018 8.094 13.387 0.60 55.87 ? 129 GLN d N 1 ? ? +38466 ATOM C CA A GLN X 20 118 ? 34.174 6.953 13.728 0.40 55.48 ? 129 GLN d CA 1 ? ? +38467 ATOM C CA B GLN X 20 118 ? 34.178 6.960 13.723 0.60 55.53 ? 129 GLN d CA 1 ? ? +38468 ATOM C C A GLN X 20 118 ? 34.990 5.668 13.840 0.40 55.69 ? 129 GLN d C 1 ? ? +38469 ATOM C C B GLN X 20 118 ? 34.997 5.678 13.840 0.60 55.72 ? 129 GLN d C 1 ? ? +38470 ATOM O O A GLN X 20 118 ? 34.816 4.900 14.782 0.40 55.87 ? 129 GLN d O 1 ? ? +38471 ATOM O O B GLN X 20 118 ? 34.816 4.909 14.779 0.60 55.92 ? 129 GLN d O 1 ? ? +38472 ATOM C CB A GLN X 20 118 ? 33.063 6.786 12.683 0.40 54.63 ? 129 GLN d CB 1 ? ? +38473 ATOM C CB B GLN X 20 118 ? 33.081 6.798 12.669 0.60 54.72 ? 129 GLN d CB 1 ? ? +38474 ATOM C CG A GLN X 20 118 ? 32.067 7.928 12.666 0.40 54.46 ? 129 GLN d CG 1 ? ? +38475 ATOM C CG B GLN X 20 118 ? 32.059 7.909 12.696 0.60 54.55 ? 129 GLN d CG 1 ? ? +38476 ATOM C CD A GLN X 20 118 ? 31.182 7.878 11.452 0.40 53.70 ? 129 GLN d CD 1 ? ? +38477 ATOM C CD B GLN X 20 118 ? 31.126 7.820 11.527 0.60 53.81 ? 129 GLN d CD 1 ? ? +38478 ATOM O OE1 A GLN X 20 118 ? 31.647 7.805 10.314 0.40 53.42 ? 129 GLN d OE1 1 ? ? +38479 ATOM O OE1 B GLN X 20 118 ? 31.533 7.869 10.361 0.60 53.51 ? 129 GLN d OE1 1 ? ? +38480 ATOM N NE2 A GLN X 20 118 ? 29.873 7.917 11.666 0.40 53.38 ? 129 GLN d NE2 1 ? ? +38481 ATOM N NE2 B GLN X 20 118 ? 29.837 7.688 11.806 0.60 53.49 ? 129 GLN d NE2 1 ? ? +38482 ATOM N N . PHE X 20 119 ? 35.892 5.458 12.875 1.00 55.71 ? 130 PHE d N 1 ? ? +38483 ATOM C CA . PHE X 20 119 ? 36.823 4.339 12.919 1.00 56.06 ? 130 PHE d CA 1 ? ? +38484 ATOM C CB . PHE X 20 119 ? 37.680 4.285 11.655 1.00 55.97 ? 130 PHE d CB 1 ? ? +38485 ATOM C CG . PHE X 20 119 ? 37.053 3.560 10.488 1.00 55.20 ? 130 PHE d CG 1 ? ? +38486 ATOM C CD1 . PHE X 20 119 ? 36.788 2.207 10.557 1.00 54.96 ? 130 PHE d CD1 1 ? ? +38487 ATOM C CD2 . PHE X 20 119 ? 36.754 4.225 9.317 1.00 54.76 ? 130 PHE d CD2 1 ? ? +38488 ATOM C CE1 . PHE X 20 119 ? 36.227 1.541 9.481 1.00 54.26 ? 130 PHE d CE1 1 ? ? +38489 ATOM C CE2 . PHE X 20 119 ? 36.207 3.553 8.241 1.00 54.06 ? 130 PHE d CE2 1 ? ? +38490 ATOM C CZ . PHE X 20 119 ? 35.946 2.218 8.327 1.00 53.82 ? 130 PHE d CZ 1 ? ? +38491 ATOM C C . PHE X 20 119 ? 37.756 4.383 14.123 1.00 57.05 ? 130 PHE d C 1 ? ? +38492 ATOM O O . PHE X 20 119 ? 37.979 3.363 14.763 1.00 57.21 ? 130 PHE d O 1 ? ? +38493 ATOM N N . GLU X 20 120 ? 38.281 5.575 14.429 1.00 57.85 ? 131 GLU d N 1 ? ? +38494 ATOM C CA . GLU X 20 120 ? 39.242 5.753 15.511 1.00 58.96 ? 131 GLU d CA 1 ? ? +38495 ATOM C CB . GLU X 20 120 ? 39.823 7.176 15.478 1.00 59.41 ? 131 GLU d CB 1 ? ? +38496 ATOM C CG . GLU X 20 120 ? 41.085 7.332 16.303 1.00 60.35 ? 131 GLU d CG 1 ? ? +38497 ATOM C CD . GLU X 20 120 ? 41.851 8.628 16.102 1.00 60.89 ? 131 GLU d CD 1 ? ? +38498 ATOM O OE1 . GLU X 20 120 ? 41.226 9.592 15.592 1.00 60.54 ? 131 GLU d OE1 1 ? ? +38499 ATOM O OE2 . GLU X 20 120 ? 43.071 8.679 16.435 1.00 61.62 ? 131 GLU d OE2 1 ? ? +38500 ATOM C C . GLU X 20 120 ? 38.620 5.470 16.878 1.00 59.56 ? 131 GLU d C 1 ? ? +38501 ATOM O O . GLU X 20 120 ? 39.161 4.693 17.660 1.00 59.99 ? 131 GLU d O 1 ? ? +38502 ATOM N N . ILE X 20 121 ? 37.463 6.087 17.151 1.00 59.68 ? 132 ILE d N 1 ? ? +38503 ATOM C CA . ILE X 20 121 ? 36.762 5.873 18.408 1.00 60.16 ? 132 ILE d CA 1 ? ? +38504 ATOM C CB . ILE X 20 121 ? 35.591 6.873 18.567 1.00 60.04 ? 132 ILE d CB 1 ? ? +38505 ATOM C CG1 . ILE X 20 121 ? 36.129 8.309 18.625 1.00 60.63 ? 132 ILE d CG1 1 ? ? +38506 ATOM C CG2 . ILE X 20 121 ? 34.745 6.551 19.812 1.00 60.22 ? 132 ILE d CG2 1 ? ? +38507 ATOM C CD1 . ILE X 20 121 ? 35.097 9.372 18.597 1.00 60.54 ? 132 ILE d CD1 1 ? ? +38508 ATOM C C . ILE X 20 121 ? 36.295 4.429 18.579 1.00 59.92 ? 132 ILE d C 1 ? ? +38509 ATOM O O . ILE X 20 121 ? 36.366 3.882 19.675 1.00 60.46 ? 132 ILE d O 1 ? ? +38510 ATOM N N A ALA X 20 122 ? 35.820 3.815 17.491 0.40 59.23 ? 133 ALA d N 1 ? ? +38511 ATOM N N B ALA X 20 122 ? 35.802 3.828 17.495 0.60 59.21 ? 133 ALA d N 1 ? ? +38512 ATOM C CA A ALA X 20 122 ? 35.383 2.428 17.525 0.40 58.96 ? 133 ALA d CA 1 ? ? +38513 ATOM C CA B ALA X 20 122 ? 35.382 2.439 17.540 0.60 58.93 ? 133 ALA d CA 1 ? ? +38514 ATOM C C A ALA X 20 122 ? 36.522 1.492 17.931 0.40 59.57 ? 133 ALA d C 1 ? ? +38515 ATOM C C B ALA X 20 122 ? 36.542 1.566 18.015 0.60 59.56 ? 133 ALA d C 1 ? ? +38516 ATOM O O A ALA X 20 122 ? 36.322 0.554 18.700 0.40 59.66 ? 133 ALA d O 1 ? ? +38517 ATOM O O B ALA X 20 122 ? 36.385 0.779 18.945 0.60 59.73 ? 133 ALA d O 1 ? ? +38518 ATOM C CB A ALA X 20 122 ? 34.814 2.024 16.172 0.40 58.07 ? 133 ALA d CB 1 ? ? +38519 ATOM C CB B ALA X 20 122 ? 34.863 1.992 16.178 0.60 58.05 ? 133 ALA d CB 1 ? ? +38520 ATOM N N . ARG X 20 123 ? 37.718 1.760 17.402 1.00 60.02 ? 134 ARG d N 1 ? ? +38521 ATOM C CA . ARG X 20 123 ? 38.901 0.958 17.695 1.00 60.81 ? 134 ARG d CA 1 ? ? +38522 ATOM C CB . ARG X 20 123 ? 40.059 1.380 16.768 1.00 60.95 ? 134 ARG d CB 1 ? ? +38523 ATOM C CG . ARG X 20 123 ? 41.302 0.519 16.841 1.00 61.43 ? 134 ARG d CG 1 ? ? +38524 ATOM C CD . ARG X 20 123 ? 41.039 -0.909 16.449 1.00 60.99 ? 134 ARG d CD 1 ? ? +38525 ATOM N NE . ARG X 20 123 ? 40.608 -1.723 17.577 1.00 61.20 ? 134 ARG d NE 1 ? ? +38526 ATOM C CZ . ARG X 20 123 ? 40.359 -3.022 17.503 1.00 61.08 ? 134 ARG d CZ 1 ? ? +38527 ATOM N NH1 . ARG X 20 123 ? 40.522 -3.697 16.375 1.00 60.62 ? 134 ARG d NH1 1 ? ? +38528 ATOM N NH2 . ARG X 20 123 ? 39.926 -3.661 18.586 1.00 61.43 ? 134 ARG d NH2 1 ? ? +38529 ATOM C C . ARG X 20 123 ? 39.351 1.054 19.151 1.00 61.96 ? 134 ARG d C 1 ? ? +38530 ATOM O O . ARG X 20 123 ? 39.773 0.061 19.735 1.00 62.26 ? 134 ARG d O 1 ? ? +38531 ATOM N N . LEU X 20 124 ? 39.245 2.251 19.732 1.00 62.79 ? 135 LEU d N 1 ? ? +38532 ATOM C CA . LEU X 20 124 ? 39.682 2.468 21.097 1.00 64.17 ? 135 LEU d CA 1 ? ? +38533 ATOM C CB . LEU X 20 124 ? 39.920 3.970 21.297 1.00 65.00 ? 135 LEU d CB 1 ? ? +38534 ATOM C CG . LEU X 20 124 ? 41.052 4.578 20.412 1.00 65.41 ? 135 LEU d CG 1 ? ? +38535 ATOM C CD1 . LEU X 20 124 ? 41.237 6.052 20.720 1.00 65.97 ? 135 LEU d CD1 1 ? ? +38536 ATOM C CD2 . LEU X 20 124 ? 42.414 3.809 20.571 1.00 65.93 ? 135 LEU d CD2 1 ? ? +38537 ATOM C C . LEU X 20 124 ? 38.694 1.933 22.129 1.00 64.35 ? 135 LEU d C 1 ? ? +38538 ATOM O O . LEU X 20 124 ? 39.095 1.377 23.150 1.00 65.11 ? 135 LEU d O 1 ? ? +38539 ATOM N N A VAL X 20 125 ? 37.401 2.097 21.845 0.40 63.64 ? 136 VAL d N 1 ? ? +38540 ATOM N N B VAL X 20 125 ? 37.399 2.136 21.867 0.60 63.88 ? 136 VAL d N 1 ? ? +38541 ATOM C CA A VAL X 20 125 ? 36.354 1.607 22.722 0.40 63.54 ? 136 VAL d CA 1 ? ? +38542 ATOM C CA B VAL X 20 125 ? 36.337 1.650 22.732 0.60 63.91 ? 136 VAL d CA 1 ? ? +38543 ATOM C C A VAL X 20 125 ? 36.149 0.103 22.561 0.40 63.13 ? 136 VAL d C 1 ? ? +38544 ATOM C C B VAL X 20 125 ? 36.128 0.147 22.580 0.60 63.60 ? 136 VAL d C 1 ? ? +38545 ATOM O O A VAL X 20 125 ? 35.717 -0.565 23.497 0.40 63.40 ? 136 VAL d O 1 ? ? +38546 ATOM O O B VAL X 20 125 ? 35.663 -0.507 23.510 0.60 63.89 ? 136 VAL d O 1 ? ? +38547 ATOM C CB A VAL X 20 125 ? 35.073 2.413 22.454 0.40 63.18 ? 136 VAL d CB 1 ? ? +38548 ATOM C CB B VAL X 20 125 ? 35.052 2.453 22.437 0.60 63.66 ? 136 VAL d CB 1 ? ? +38549 ATOM C CG1 A VAL X 20 125 ? 33.821 1.686 22.948 0.40 62.91 ? 136 VAL d CG1 1 ? ? +38550 ATOM C CG1 B VAL X 20 125 ? 33.774 1.724 22.882 0.60 63.36 ? 136 VAL d CG1 1 ? ? +38551 ATOM C CG2 A VAL X 20 125 ? 35.194 3.807 23.064 0.40 63.72 ? 136 VAL d CG2 1 ? ? +38552 ATOM C CG2 B VAL X 20 125 ? 35.151 3.839 23.066 0.60 64.23 ? 136 VAL d CG2 1 ? ? +38553 ATOM N N A GLY X 20 126 ? 36.465 -0.422 21.371 0.40 62.51 ? 137 GLY d N 1 ? ? +38554 ATOM N N B GLY X 20 126 ? 36.452 -0.383 21.394 0.60 63.11 ? 137 GLY d N 1 ? ? +38555 ATOM C CA A GLY X 20 126 ? 36.423 -1.855 21.126 0.40 62.17 ? 137 GLY d CA 1 ? ? +38556 ATOM C CA B GLY X 20 126 ? 36.439 -1.817 21.154 0.60 62.88 ? 137 GLY d CA 1 ? ? +38557 ATOM C C A GLY X 20 126 ? 35.077 -2.356 20.609 0.40 61.29 ? 137 GLY d C 1 ? ? +38558 ATOM C C B GLY X 20 126 ? 35.087 -2.340 20.677 0.60 62.16 ? 137 GLY d C 1 ? ? +38559 ATOM O O A GLY X 20 126 ? 34.619 -3.423 21.008 0.40 61.24 ? 137 GLY d O 1 ? ? +38560 ATOM O O B GLY X 20 126 ? 34.605 -3.352 21.179 0.60 62.17 ? 137 GLY d O 1 ? ? +38561 ATOM N N A VAL X 20 127 ? 34.460 -1.575 19.715 0.40 60.60 ? 138 VAL d N 1 ? ? +38562 ATOM N N B VAL X 20 127 ? 34.499 -1.636 19.700 0.60 61.57 ? 138 VAL d N 1 ? ? +38563 ATOM C CA A VAL X 20 127 ? 33.207 -1.957 19.086 0.40 59.75 ? 138 VAL d CA 1 ? ? +38564 ATOM C CA B VAL X 20 127 ? 33.256 -2.038 19.059 0.60 60.81 ? 138 VAL d CA 1 ? ? +38565 ATOM C C A VAL X 20 127 ? 33.421 -2.143 17.586 0.40 59.12 ? 138 VAL d C 1 ? ? +38566 ATOM C C B VAL X 20 127 ? 33.457 -2.174 17.552 0.60 60.26 ? 138 VAL d C 1 ? ? +38567 ATOM O O A VAL X 20 127 ? 34.454 -1.760 17.046 0.40 59.29 ? 138 VAL d O 1 ? ? +38568 ATOM O O B VAL X 20 127 ? 34.459 -1.730 17.000 0.60 60.39 ? 138 VAL d O 1 ? ? +38569 ATOM C CB A VAL X 20 127 ? 32.084 -0.931 19.361 0.40 59.52 ? 138 VAL d CB 1 ? ? +38570 ATOM C CB B VAL X 20 127 ? 32.100 -1.056 19.356 0.60 60.54 ? 138 VAL d CB 1 ? ? +38571 ATOM C CG1 A VAL X 20 127 ? 31.739 -0.887 20.842 0.40 60.10 ? 138 VAL d CG1 1 ? ? +38572 ATOM C CG1 B VAL X 20 127 ? 31.766 -1.040 20.837 0.60 61.12 ? 138 VAL d CG1 1 ? ? +38573 ATOM C CG2 A VAL X 20 127 ? 32.449 0.457 18.835 0.40 59.52 ? 138 VAL d CG2 1 ? ? +38574 ATOM C CG2 B VAL X 20 127 ? 32.404 0.351 18.842 0.60 60.51 ? 138 VAL d CG2 1 ? ? +38575 ATOM N N A ARG X 20 128 ? 32.430 -2.740 16.921 0.40 58.45 ? 139 ARG d N 1 ? ? +38576 ATOM N N B ARG X 20 128 ? 32.469 -2.770 16.884 0.60 59.67 ? 139 ARG d N 1 ? ? +38577 ATOM C CA A ARG X 20 128 ? 32.505 -2.969 15.489 0.40 57.83 ? 139 ARG d CA 1 ? ? +38578 ATOM C CA B ARG X 20 128 ? 32.552 -2.993 15.453 0.60 59.12 ? 139 ARG d CA 1 ? ? +38579 ATOM C C A ARG X 20 128 ? 32.221 -1.657 14.766 0.40 57.26 ? 139 ARG d C 1 ? ? +38580 ATOM C C B ARG X 20 128 ? 32.316 -1.656 14.756 0.60 58.37 ? 139 ARG d C 1 ? ? +38581 ATOM O O A ARG X 20 128 ? 31.418 -0.848 15.226 0.40 57.26 ? 139 ARG d O 1 ? ? +38582 ATOM O O B ARG X 20 128 ? 31.607 -0.802 15.281 0.60 58.40 ? 139 ARG d O 1 ? ? +38583 ATOM C CB A ARG X 20 128 ? 31.528 -4.071 15.072 0.40 57.49 ? 139 ARG d CB 1 ? ? +38584 ATOM C CB B ARG X 20 128 ? 31.545 -4.064 15.036 0.60 59.01 ? 139 ARG d CB 1 ? ? +38585 ATOM C CG A ARG X 20 128 ? 31.704 -5.347 15.905 0.40 58.05 ? 139 ARG d CG 1 ? ? +38586 ATOM C CG B ARG X 20 128 ? 31.673 -5.340 15.875 0.60 59.83 ? 139 ARG d CG 1 ? ? +38587 ATOM C CD A ARG X 20 128 ? 30.476 -6.225 15.875 0.40 57.80 ? 139 ARG d CD 1 ? ? +38588 ATOM C CD B ARG X 20 128 ? 30.429 -6.186 15.837 0.60 59.78 ? 139 ARG d CD 1 ? ? +38589 ATOM N NE A ARG X 20 128 ? 30.450 -7.098 14.709 0.40 57.49 ? 139 ARG d NE 1 ? ? +38590 ATOM N NE B ARG X 20 128 ? 30.398 -7.054 14.669 0.60 59.73 ? 139 ARG d NE 1 ? ? +38591 ATOM C CZ A ARG X 20 128 ? 29.341 -7.554 14.145 0.40 57.28 ? 139 ARG d CZ 1 ? ? +38592 ATOM C CZ B ARG X 20 128 ? 29.298 -7.601 14.173 0.60 60.01 ? 139 ARG d CZ 1 ? ? +38593 ATOM N NH1 A ARG X 20 128 ? 28.148 -7.084 14.481 0.40 57.28 ? 139 ARG d NH1 1 ? ? +38594 ATOM N NH1 B ARG X 20 128 ? 28.090 -7.164 14.508 0.60 60.22 ? 139 ARG d NH1 1 ? ? +38595 ATOM N NH2 A ARG X 20 128 ? 29.432 -8.486 13.200 0.40 57.02 ? 139 ARG d NH2 1 ? ? +38596 ATOM N NH2 B ARG X 20 128 ? 29.409 -8.591 13.289 0.60 59.98 ? 139 ARG d NH2 1 ? ? +38597 ATOM N N A PRO X 20 129 ? 32.904 -1.385 13.634 0.40 56.74 ? 140 PRO d N 1 ? ? +38598 ATOM N N B PRO X 20 129 ? 32.945 -1.396 13.589 0.60 57.61 ? 140 PRO d N 1 ? ? +38599 ATOM C CA A PRO X 20 129 ? 32.792 -0.086 12.969 0.40 56.39 ? 140 PRO d CA 1 ? ? +38600 ATOM C CA B PRO X 20 129 ? 32.796 -0.103 12.917 0.60 57.17 ? 140 PRO d CA 1 ? ? +38601 ATOM C C A PRO X 20 129 ? 31.606 0.076 12.016 0.40 55.45 ? 140 PRO d C 1 ? ? +38602 ATOM C C B PRO X 20 129 ? 31.601 0.033 11.966 0.60 56.15 ? 140 PRO d C 1 ? ? +38603 ATOM O O A PRO X 20 129 ? 31.744 0.647 10.934 0.40 55.03 ? 140 PRO d O 1 ? ? +38604 ATOM O O B PRO X 20 129 ? 31.737 0.581 10.874 0.60 55.64 ? 140 PRO d O 1 ? ? +38605 ATOM C CB A PRO X 20 129 ? 34.117 -0.011 12.211 0.40 56.60 ? 140 PRO d CB 1 ? ? +38606 ATOM C CB B PRO X 20 129 ? 34.130 -0.004 12.170 0.60 57.39 ? 140 PRO d CB 1 ? ? +38607 ATOM C CG A PRO X 20 129 ? 34.408 -1.453 11.850 0.40 56.44 ? 140 PRO d CG 1 ? ? +38608 ATOM C CG B PRO X 20 129 ? 34.429 -1.437 11.778 0.60 57.22 ? 140 PRO d CG 1 ? ? +38609 ATOM C CD A PRO X 20 129 ? 33.866 -2.291 12.982 0.40 56.66 ? 140 PRO d CD 1 ? ? +38610 ATOM C CD B PRO X 20 129 ? 33.892 -2.293 12.901 0.60 57.46 ? 140 PRO d CD 1 ? ? +38611 ATOM N N A TYR X 20 130 ? 30.425 -0.403 12.424 0.40 55.04 ? 141 TYR d N 1 ? ? +38612 ATOM N N B TYR X 20 130 ? 30.414 -0.433 12.382 0.60 55.70 ? 141 TYR d N 1 ? ? +38613 ATOM C CA A TYR X 20 130 ? 29.267 -0.355 11.545 0.40 54.26 ? 141 TYR d CA 1 ? ? +38614 ATOM C CA B TYR X 20 130 ? 29.255 -0.375 11.500 0.60 54.94 ? 141 TYR d CA 1 ? ? +38615 ATOM C C A TYR X 20 130 ? 28.704 1.055 11.384 0.40 53.91 ? 141 TYR d C 1 ? ? +38616 ATOM C C B TYR X 20 130 ? 28.691 1.037 11.359 0.60 54.42 ? 141 TYR d C 1 ? ? +38617 ATOM O O A TYR X 20 130 ? 28.108 1.367 10.359 0.40 53.39 ? 141 TYR d O 1 ? ? +38618 ATOM O O B TYR X 20 130 ? 28.156 1.379 10.311 0.60 53.90 ? 141 TYR d O 1 ? ? +38619 ATOM C CB A TYR X 20 130 ? 28.170 -1.327 11.994 0.40 54.18 ? 141 TYR d CB 1 ? ? +38620 ATOM C CB B TYR X 20 130 ? 28.141 -1.363 11.906 0.60 54.98 ? 141 TYR d CB 1 ? ? +38621 ATOM C CG A TYR X 20 130 ? 28.498 -2.744 11.598 0.40 54.16 ? 141 TYR d CG 1 ? ? +38622 ATOM C CG B TYR X 20 130 ? 28.504 -2.779 11.532 0.60 55.19 ? 141 TYR d CG 1 ? ? +38623 ATOM C CD2 A TYR X 20 130 ? 28.052 -3.269 10.398 0.40 53.63 ? 141 TYR d CD2 1 ? ? +38624 ATOM C CD2 B TYR X 20 130 ? 29.335 -3.540 12.342 0.60 56.08 ? 141 TYR d CD2 1 ? ? +38625 ATOM C CD1 A TYR X 20 130 ? 29.328 -3.531 12.382 0.40 54.83 ? 141 TYR d CD1 1 ? ? +38626 ATOM C CD1 B TYR X 20 130 ? 28.062 -3.342 10.345 0.60 54.75 ? 141 TYR d CD1 1 ? ? +38627 ATOM C CE2 A TYR X 20 130 ? 28.370 -4.565 10.014 0.40 53.59 ? 141 TYR d CE2 1 ? ? +38628 ATOM C CE2 B TYR X 20 130 ? 29.701 -4.834 11.993 0.60 56.16 ? 141 TYR d CE2 1 ? ? +38629 ATOM C CE1 A TYR X 20 130 ? 29.655 -4.829 12.011 0.40 54.78 ? 141 TYR d CE1 1 ? ? +38630 ATOM C CE1 B TYR X 20 130 ? 28.414 -4.640 9.986 0.60 54.86 ? 141 TYR d CE1 1 ? ? +38631 ATOM C CZ A TYR X 20 130 ? 29.178 -5.341 10.821 0.40 54.19 ? 141 TYR d CZ 1 ? ? +38632 ATOM C CZ B TYR X 20 130 ? 29.239 -5.383 10.815 0.60 55.63 ? 141 TYR d CZ 1 ? ? +38633 ATOM O OH A TYR X 20 130 ? 29.510 -6.620 10.439 0.40 54.30 ? 141 TYR d OH 1 ? ? +38634 ATOM O OH B TYR X 20 130 ? 29.628 -6.665 10.498 0.60 56.04 ? 141 TYR d OH 1 ? ? +38635 ATOM N N A ASN X 20 131 ? 28.908 1.912 12.385 0.40 54.22 ? 142 ASN d N 1 ? ? +38636 ATOM N N B ASN X 20 131 ? 28.821 1.861 12.398 0.60 54.58 ? 142 ASN d N 1 ? ? +38637 ATOM C CA A ASN X 20 131 ? 28.510 3.303 12.274 0.40 54.06 ? 142 ASN d CA 1 ? ? +38638 ATOM C CA B ASN X 20 131 ? 28.448 3.260 12.291 0.60 54.36 ? 142 ASN d CA 1 ? ? +38639 ATOM C C A ASN X 20 131 ? 29.316 4.003 11.177 0.40 53.86 ? 142 ASN d C 1 ? ? +38640 ATOM C C B ASN X 20 131 ? 29.226 3.936 11.160 0.60 54.06 ? 142 ASN d C 1 ? ? +38641 ATOM O O A ASN X 20 131 ? 28.758 4.779 10.407 0.40 53.54 ? 142 ASN d O 1 ? ? +38642 ATOM O O B ASN X 20 131 ? 28.628 4.611 10.328 0.60 53.67 ? 142 ASN d O 1 ? ? +38643 ATOM C CB A ASN X 20 131 ? 28.646 4.003 13.627 0.40 54.73 ? 142 ASN d CB 1 ? ? +38644 ATOM C CB B ASN X 20 131 ? 28.631 3.966 13.635 0.60 55.05 ? 142 ASN d CB 1 ? ? +38645 ATOM C CG A ASN X 20 131 ? 28.197 5.445 13.631 0.40 54.84 ? 142 ASN d CG 1 ? ? +38646 ATOM C CG B ASN X 20 131 ? 28.272 5.434 13.612 0.60 55.20 ? 142 ASN d CG 1 ? ? +38647 ATOM O OD1 A ASN X 20 131 ? 28.990 6.358 13.877 0.40 55.35 ? 142 ASN d OD1 1 ? ? +38648 ATOM O OD1 B ASN X 20 131 ? 28.969 6.277 14.188 0.60 55.87 ? 142 ASN d OD1 1 ? ? +38649 ATOM N ND2 A ASN X 20 131 ? 26.925 5.695 13.364 0.40 54.42 ? 142 ASN d ND2 1 ? ? +38650 ATOM N ND2 B ASN X 20 131 ? 27.175 5.782 12.963 0.60 54.66 ? 142 ASN d ND2 1 ? ? +38651 ATOM N N A ALA X 20 132 ? 30.622 3.715 11.092 0.40 54.04 ? 143 ALA d N 1 ? ? +38652 ATOM N N B ALA X 20 132 ? 30.549 3.723 11.116 0.60 54.20 ? 143 ALA d N 1 ? ? +38653 ATOM C CA A ALA X 20 132 ? 31.456 4.273 10.039 0.40 53.90 ? 143 ALA d CA 1 ? ? +38654 ATOM C CA B ALA X 20 132 ? 31.389 4.250 10.050 0.60 54.00 ? 143 ALA d CA 1 ? ? +38655 ATOM C C A ALA X 20 132 ? 31.011 3.765 8.671 0.40 53.06 ? 143 ALA d C 1 ? ? +38656 ATOM C C B ALA X 20 132 ? 30.998 3.725 8.670 0.60 53.13 ? 143 ALA d C 1 ? ? +38657 ATOM O O A ALA X 20 132 ? 30.902 4.531 7.715 0.40 52.81 ? 143 ALA d O 1 ? ? +38658 ATOM O O B ALA X 20 132 ? 30.974 4.474 7.698 0.60 52.87 ? 143 ALA d O 1 ? ? +38659 ATOM C CB A ALA X 20 132 ? 32.928 3.932 10.270 0.40 54.45 ? 143 ALA d CB 1 ? ? +38660 ATOM C CB B ALA X 20 132 ? 32.860 3.924 10.328 0.60 54.56 ? 143 ALA d CB 1 ? ? +38661 ATOM N N A ILE X 20 133 ? 30.758 2.458 8.590 0.40 52.68 ? 144 ILE d N 1 ? ? +38662 ATOM N N B ILE X 20 133 ? 30.708 2.424 8.588 0.60 52.72 ? 144 ILE d N 1 ? ? +38663 ATOM C CA A ILE X 20 133 ? 30.288 1.848 7.360 0.40 51.95 ? 144 ILE d CA 1 ? ? +38664 ATOM C CA B ILE X 20 133 ? 30.263 1.815 7.346 0.60 52.02 ? 144 ILE d CA 1 ? ? +38665 ATOM C C A ILE X 20 133 ? 28.995 2.501 6.880 0.40 51.40 ? 144 ILE d C 1 ? ? +38666 ATOM C C B ILE X 20 133 ? 28.924 2.392 6.890 0.60 51.44 ? 144 ILE d C 1 ? ? +38667 ATOM O O A ILE X 20 133 ? 28.855 2.806 5.699 0.40 51.03 ? 144 ILE d O 1 ? ? +38668 ATOM O O B ILE X 20 133 ? 28.702 2.562 5.693 0.60 51.04 ? 144 ILE d O 1 ? ? +38669 ATOM C CB A ILE X 20 133 ? 30.136 0.330 7.573 0.40 51.83 ? 144 ILE d CB 1 ? ? +38670 ATOM C CB B ILE X 20 133 ? 30.235 0.274 7.495 0.60 51.91 ? 144 ILE d CB 1 ? ? +38671 ATOM C CG1 A ILE X 20 133 ? 31.527 -0.327 7.712 0.40 52.30 ? 144 ILE d CG1 1 ? ? +38672 ATOM C CG1 B ILE X 20 133 ? 31.688 -0.278 7.484 0.60 52.39 ? 144 ILE d CG1 1 ? ? +38673 ATOM C CG2 A ILE X 20 133 ? 29.331 -0.310 6.457 0.40 51.13 ? 144 ILE d CG2 1 ? ? +38674 ATOM C CG2 B ILE X 20 133 ? 29.390 -0.396 6.421 0.60 51.21 ? 144 ILE d CG2 1 ? ? +38675 ATOM C CD1 A ILE X 20 133 ? 31.494 -1.758 8.179 0.40 52.33 ? 144 ILE d CD1 1 ? ? +38676 ATOM C CD1 B ILE X 20 133 ? 31.827 -1.679 8.008 0.60 52.50 ? 144 ILE d CD1 1 ? ? +38677 ATOM N N A ALA X 20 134 ? 28.056 2.716 7.805 0.40 51.35 ? 145 ALA d N 1 ? ? +38678 ATOM N N B ALA X 20 134 ? 28.040 2.707 7.842 0.60 51.41 ? 145 ALA d N 1 ? ? +38679 ATOM C CA A ALA X 20 134 ? 26.780 3.330 7.473 0.40 50.91 ? 145 ALA d CA 1 ? ? +38680 ATOM C CA B ALA X 20 134 ? 26.765 3.322 7.513 0.60 50.96 ? 145 ALA d CA 1 ? ? +38681 ATOM C C A ALA X 20 134 ? 26.962 4.763 6.978 0.40 50.93 ? 145 ALA d C 1 ? ? +38682 ATOM C C B ALA X 20 134 ? 26.967 4.732 6.961 0.60 50.95 ? 145 ALA d C 1 ? ? +38683 ATOM O O A ALA X 20 134 ? 26.147 5.267 6.206 0.40 50.50 ? 145 ALA d O 1 ? ? +38684 ATOM O O B ALA X 20 134 ? 26.219 5.175 6.089 0.60 50.48 ? 145 ALA d O 1 ? ? +38685 ATOM C CB A ALA X 20 134 ? 25.863 3.316 8.679 0.40 51.09 ? 145 ALA d CB 1 ? ? +38686 ATOM C CB B ALA X 20 134 ? 25.866 3.357 8.735 0.60 51.15 ? 145 ALA d CB 1 ? ? +38687 ATOM N N A PHE X 20 135 ? 28.039 5.416 7.431 0.40 51.38 ? 146 PHE d N 1 ? ? +38688 ATOM N N B PHE X 20 135 ? 28.001 5.426 7.459 0.60 51.41 ? 146 PHE d N 1 ? ? +38689 ATOM C CA A PHE X 20 135 ? 28.271 6.807 7.086 0.40 51.50 ? 146 PHE d CA 1 ? ? +38690 ATOM C CA B PHE X 20 135 ? 28.252 6.806 7.075 0.60 51.51 ? 146 PHE d CA 1 ? ? +38691 ATOM C C A PHE X 20 135 ? 28.754 6.954 5.644 0.40 51.14 ? 146 PHE d C 1 ? ? +38692 ATOM C C B PHE X 20 135 ? 28.763 6.953 5.642 0.60 51.16 ? 146 PHE d C 1 ? ? +38693 ATOM O O A PHE X 20 135 ? 28.735 8.054 5.091 0.40 51.18 ? 146 PHE d O 1 ? ? +38694 ATOM O O B PHE X 20 135 ? 28.775 8.051 5.088 0.60 51.20 ? 146 PHE d O 1 ? ? +38695 ATOM C CB A PHE X 20 135 ? 29.267 7.442 8.049 0.40 52.24 ? 146 PHE d CB 1 ? ? +38696 ATOM C CB B PHE X 20 135 ? 29.244 7.435 8.036 0.60 52.26 ? 146 PHE d CB 1 ? ? +38697 ATOM C CG A PHE X 20 135 ? 29.322 8.947 7.955 0.40 52.52 ? 146 PHE d CG 1 ? ? +38698 ATOM C CG B PHE X 20 135 ? 29.318 8.938 7.934 0.60 52.54 ? 146 PHE d CG 1 ? ? +38699 ATOM C CD1 A PHE X 20 135 ? 28.223 9.716 8.293 0.40 52.46 ? 146 PHE d CD1 1 ? ? +38700 ATOM C CD1 B PHE X 20 135 ? 28.196 9.717 8.161 0.60 52.44 ? 146 PHE d CD1 1 ? ? +38701 ATOM C CD2 A PHE X 20 135 ? 30.471 9.590 7.523 0.40 52.84 ? 146 PHE d CD2 1 ? ? +38702 ATOM C CD2 B PHE X 20 135 ? 30.513 9.572 7.614 0.60 52.90 ? 146 PHE d CD2 1 ? ? +38703 ATOM C CE1 A PHE X 20 135 ? 28.275 11.095 8.207 0.40 52.73 ? 146 PHE d CE1 1 ? ? +38704 ATOM C CE1 B PHE X 20 135 ? 28.265 11.095 8.068 0.60 52.71 ? 146 PHE d CE1 1 ? ? +38705 ATOM C CE2 A PHE X 20 135 ? 30.521 10.966 7.442 0.40 53.12 ? 146 PHE d CE2 1 ? ? +38706 ATOM C CE2 B PHE X 20 135 ? 30.579 10.949 7.522 0.60 53.17 ? 146 PHE d CE2 1 ? ? +38707 ATOM C CZ A PHE X 20 135 ? 29.425 11.711 7.785 0.40 53.07 ? 146 PHE d CZ 1 ? ? +38708 ATOM C CZ B PHE X 20 135 ? 29.459 11.705 7.754 0.60 53.11 ? 146 PHE d CZ 1 ? ? +38709 ATOM N N . SER X 20 136 ? 29.157 5.834 5.032 1.00 50.80 ? 147 SER d N 1 ? ? +38710 ATOM C CA . SER X 20 136 ? 29.553 5.825 3.635 1.00 50.39 ? 147 SER d CA 1 ? ? +38711 ATOM C CB . SER X 20 136 ? 29.967 4.428 3.205 1.00 50.17 ? 147 SER d CB 1 ? ? +38712 ATOM O OG . SER X 20 136 ? 28.847 3.572 3.110 1.00 49.69 ? 147 SER d OG 1 ? ? +38713 ATOM C C . SER X 20 136 ? 28.467 6.320 2.686 1.00 49.79 ? 147 SER d C 1 ? ? +38714 ATOM O O . SER X 20 136 ? 28.778 6.839 1.620 1.00 49.67 ? 147 SER d O 1 ? ? +38715 ATOM N N A ALA X 20 137 ? 27.203 6.155 3.096 0.40 49.50 ? 148 ALA d N 1 ? ? +38716 ATOM N N B ALA X 20 137 ? 27.194 6.133 3.055 0.60 49.47 ? 148 ALA d N 1 ? ? +38717 ATOM C CA A ALA X 20 137 ? 26.067 6.565 2.289 0.40 48.99 ? 148 ALA d CA 1 ? ? +38718 ATOM C CA B ALA X 20 137 ? 26.097 6.542 2.195 0.60 48.96 ? 148 ALA d CA 1 ? ? +38719 ATOM C C A ALA X 20 137 ? 25.998 8.084 2.150 0.40 49.19 ? 148 ALA d C 1 ? ? +38720 ATOM C C B ALA X 20 137 ? 26.003 8.063 2.086 0.60 49.16 ? 148 ALA d C 1 ? ? +38721 ATOM O O A ALA X 20 137 ? 25.951 8.594 1.035 0.40 48.96 ? 148 ALA d O 1 ? ? +38722 ATOM O O B ALA X 20 137 ? 26.009 8.593 0.979 0.60 48.93 ? 148 ALA d O 1 ? ? +38723 ATOM C CB A ALA X 20 137 ? 24.780 6.017 2.879 0.40 48.76 ? 148 ALA d CB 1 ? ? +38724 ATOM C CB B ALA X 20 137 ? 24.799 5.940 2.676 0.60 48.68 ? 148 ALA d CB 1 ? ? +38725 ATOM N N A PRO X 20 138 ? 25.965 8.860 3.260 0.40 49.64 ? 149 PRO d N 1 ? ? +38726 ATOM N N B PRO X 20 138 ? 25.937 8.826 3.203 0.60 49.62 ? 149 PRO d N 1 ? ? +38727 ATOM C CA A PRO X 20 138 ? 26.041 10.319 3.172 0.40 49.95 ? 149 PRO d CA 1 ? ? +38728 ATOM C CA B PRO X 20 138 ? 26.022 10.286 3.124 0.60 49.95 ? 149 PRO d CA 1 ? ? +38729 ATOM C C A PRO X 20 138 ? 27.232 10.828 2.360 0.40 50.18 ? 149 PRO d C 1 ? ? +38730 ATOM C C B PRO X 20 138 ? 27.208 10.772 2.292 0.60 50.17 ? 149 PRO d C 1 ? ? +38731 ATOM O O A PRO X 20 138 ? 27.104 11.799 1.617 0.40 50.20 ? 149 PRO d O 1 ? ? +38732 ATOM O O B PRO X 20 138 ? 27.051 11.667 1.461 0.60 50.14 ? 149 PRO d O 1 ? ? +38733 ATOM C CB A PRO X 20 138 ? 26.147 10.760 4.638 0.40 50.49 ? 149 PRO d CB 1 ? ? +38734 ATOM C CB B PRO X 20 138 ? 26.157 10.725 4.587 0.60 50.50 ? 149 PRO d CB 1 ? ? +38735 ATOM C CG A PRO X 20 138 ? 25.563 9.641 5.430 0.40 50.33 ? 149 PRO d CG 1 ? ? +38736 ATOM C CG B PRO X 20 138 ? 25.614 9.603 5.394 0.60 50.36 ? 149 PRO d CG 1 ? ? +38737 ATOM C CD A PRO X 20 138 ? 25.802 8.380 4.643 0.40 49.91 ? 149 PRO d CD 1 ? ? +38738 ATOM C CD B PRO X 20 138 ? 25.756 8.341 4.584 0.60 49.90 ? 149 PRO d CD 1 ? ? +38739 ATOM N N . ILE X 20 139 ? 28.391 10.178 2.510 1.00 50.39 ? 150 ILE d N 1 ? ? +38740 ATOM C CA . ILE X 20 139 ? 29.567 10.560 1.742 1.00 50.65 ? 150 ILE d CA 1 ? ? +38741 ATOM C CB . ILE X 20 139 ? 30.871 9.854 2.222 1.00 51.02 ? 150 ILE d CB 1 ? ? +38742 ATOM C CG1 . ILE X 20 139 ? 31.218 10.345 3.616 1.00 51.66 ? 150 ILE d CG1 1 ? ? +38743 ATOM C CG2 . ILE X 20 139 ? 32.008 10.071 1.230 1.00 51.14 ? 150 ILE d CG2 1 ? ? +38744 ATOM C CD1 . ILE X 20 139 ? 32.397 9.819 4.150 1.00 52.15 ? 150 ILE d CD1 1 ? ? +38745 ATOM C C . ILE X 20 139 ? 29.329 10.335 0.252 1.00 50.15 ? 150 ILE d C 1 ? ? +38746 ATOM O O . ILE X 20 139 ? 29.583 11.216 -0.566 1.00 50.22 ? 150 ILE d O 1 ? ? +38747 ATOM N N . ALA X 20 140 ? 28.838 9.150 -0.092 1.00 49.73 ? 151 ALA d N 1 ? ? +38748 ATOM C CA . ALA X 20 140 ? 28.521 8.842 -1.476 1.00 49.34 ? 151 ALA d CA 1 ? ? +38749 ATOM C CB . ALA X 20 140 ? 27.894 7.460 -1.583 1.00 48.86 ? 151 ALA d CB 1 ? ? +38750 ATOM C C . ALA X 20 140 ? 27.583 9.882 -2.081 1.00 49.23 ? 151 ALA d C 1 ? ? +38751 ATOM O O . ALA X 20 140 ? 27.755 10.277 -3.233 1.00 49.19 ? 151 ALA d O 1 ? ? +38752 ATOM N N . VAL X 20 141 ? 26.589 10.319 -1.301 1.00 49.26 ? 152 VAL d N 1 ? ? +38753 ATOM C CA . VAL X 20 141 ? 25.656 11.317 -1.791 1.00 49.18 ? 152 VAL d CA 1 ? ? +38754 ATOM C CB . VAL X 20 141 ? 24.442 11.505 -0.854 1.00 49.07 ? 152 VAL d CB 1 ? ? +38755 ATOM C CG1 . VAL X 20 141 ? 23.637 12.729 -1.248 1.00 49.05 ? 152 VAL d CG1 1 ? ? +38756 ATOM C CG2 . VAL X 20 141 ? 23.583 10.265 -0.844 1.00 48.56 ? 152 VAL d CG2 1 ? ? +38757 ATOM C C . VAL X 20 141 ? 26.378 12.644 -2.008 1.00 49.69 ? 152 VAL d C 1 ? ? +38758 ATOM O O . VAL X 20 141 ? 26.279 13.242 -3.072 1.00 49.62 ? 152 VAL d O 1 ? ? +38759 ATOM N N . PHE X 20 142 ? 27.057 13.133 -0.974 1.00 50.30 ? 153 PHE d N 1 ? ? +38760 ATOM C CA . PHE X 20 142 ? 27.750 14.399 -1.087 1.00 50.91 ? 153 PHE d CA 1 ? ? +38761 ATOM C CB . PHE X 20 142 ? 28.559 14.694 0.162 1.00 51.62 ? 153 PHE d CB 1 ? ? +38762 ATOM C CG . PHE X 20 142 ? 29.252 16.023 0.066 1.00 52.27 ? 153 PHE d CG 1 ? ? +38763 ATOM C CD1 . PHE X 20 142 ? 28.549 17.198 0.246 1.00 52.48 ? 153 PHE d CD1 1 ? ? +38764 ATOM C CD2 . PHE X 20 142 ? 30.598 16.100 -0.270 1.00 52.71 ? 153 PHE d CD2 1 ? ? +38765 ATOM C CE1 . PHE X 20 142 ? 29.185 18.429 0.133 1.00 53.05 ? 153 PHE d CE1 1 ? ? +38766 ATOM C CE2 . PHE X 20 142 ? 31.235 17.329 -0.377 1.00 53.29 ? 153 PHE d CE2 1 ? ? +38767 ATOM C CZ . PHE X 20 142 ? 30.529 18.489 -0.178 1.00 53.45 ? 153 PHE d CZ 1 ? ? +38768 ATOM C C . PHE X 20 142 ? 28.672 14.410 -2.304 1.00 50.91 ? 153 PHE d C 1 ? ? +38769 ATOM O O . PHE X 20 142 ? 28.666 15.369 -3.074 1.00 51.02 ? 153 PHE d O 1 ? ? +38770 ATOM N N . VAL X 20 143 ? 29.442 13.330 -2.481 1.00 50.80 ? 154 VAL d N 1 ? ? +38771 ATOM C CA . VAL X 20 143 ? 30.445 13.265 -3.533 1.00 50.87 ? 154 VAL d CA 1 ? ? +38772 ATOM C CB . VAL X 20 143 ? 31.358 12.032 -3.324 1.00 50.91 ? 154 VAL d CB 1 ? ? +38773 ATOM C CG1 . VAL X 20 143 ? 32.138 11.695 -4.581 1.00 50.85 ? 154 VAL d CG1 1 ? ? +38774 ATOM C CG2 . VAL X 20 143 ? 32.294 12.232 -2.139 1.00 51.49 ? 154 VAL d CG2 1 ? ? +38775 ATOM C C . VAL X 20 143 ? 29.822 13.238 -4.924 1.00 50.37 ? 154 VAL d C 1 ? ? +38776 ATOM O O . VAL X 20 143 ? 30.290 13.916 -5.837 1.00 50.44 ? 154 VAL d O 1 ? ? +38777 ATOM N N . SER X 20 144 ? 28.773 12.423 -5.086 1.00 49.88 ? 155 SER d N 1 ? ? +38778 ATOM C CA . SER X 20 144 ? 28.121 12.282 -6.378 1.00 49.40 ? 155 SER d CA 1 ? ? +38779 ATOM C CB . SER X 20 144 ? 27.160 11.101 -6.370 1.00 48.95 ? 155 SER d CB 1 ? ? +38780 ATOM O OG . SER X 20 144 ? 26.128 11.254 -5.407 1.00 49.05 ? 155 SER d OG 1 ? ? +38781 ATOM C C . SER X 20 144 ? 27.422 13.567 -6.812 1.00 49.36 ? 155 SER d C 1 ? ? +38782 ATOM O O . SER X 20 144 ? 27.467 13.936 -7.984 1.00 49.23 ? 155 SER d O 1 ? ? +38783 ATOM N N . VAL X 20 145 ? 26.826 14.263 -5.845 1.00 49.58 ? 156 VAL d N 1 ? ? +38784 ATOM C CA . VAL X 20 145 ? 25.973 15.404 -6.134 1.00 49.76 ? 156 VAL d CA 1 ? ? +38785 ATOM C CB . VAL X 20 145 ? 24.832 15.560 -5.079 1.00 49.74 ? 156 VAL d CB 1 ? ? +38786 ATOM C CG1 . VAL X 20 145 ? 24.033 16.824 -5.312 1.00 49.90 ? 156 VAL d CG1 1 ? ? +38787 ATOM C CG2 . VAL X 20 145 ? 23.910 14.354 -5.068 1.00 49.20 ? 156 VAL d CG2 1 ? ? +38788 ATOM C C . VAL X 20 145 ? 26.778 16.692 -6.230 1.00 50.41 ? 156 VAL d C 1 ? ? +38789 ATOM O O . VAL X 20 145 ? 26.548 17.505 -7.118 1.00 50.48 ? 156 VAL d O 1 ? ? +38790 ATOM N N . PHE X 20 146 ? 27.684 16.898 -5.274 1.00 50.97 ? 157 PHE d N 1 ? ? +38791 ATOM C CA . PHE X 20 146 ? 28.406 18.151 -5.197 1.00 51.68 ? 157 PHE d CA 1 ? ? +38792 ATOM C CB . PHE X 20 146 ? 28.705 18.480 -3.739 1.00 52.35 ? 157 PHE d CB 1 ? ? +38793 ATOM C CG . PHE X 20 146 ? 27.483 18.927 -3.006 1.00 52.43 ? 157 PHE d CG 1 ? ? +38794 ATOM C CD2 . PHE X 20 146 ? 27.157 20.260 -2.933 1.00 52.88 ? 157 PHE d CD2 1 ? ? +38795 ATOM C CD1 . PHE X 20 146 ? 26.650 18.010 -2.399 1.00 52.19 ? 157 PHE d CD1 1 ? ? +38796 ATOM C CE2 . PHE X 20 146 ? 26.022 20.672 -2.260 1.00 52.99 ? 157 PHE d CE2 1 ? ? +38797 ATOM C CE1 . PHE X 20 146 ? 25.505 18.421 -1.732 1.00 52.27 ? 157 PHE d CE1 1 ? ? +38798 ATOM C CZ . PHE X 20 146 ? 25.195 19.747 -1.668 1.00 52.66 ? 157 PHE d CZ 1 ? ? +38799 ATOM C C . PHE X 20 146 ? 29.707 18.184 -5.994 1.00 51.82 ? 157 PHE d C 1 ? ? +38800 ATOM O O . PHE X 20 146 ? 30.222 19.270 -6.245 1.00 52.33 ? 157 PHE d O 1 ? ? +38801 ATOM N N . LEU X 20 147 ? 30.227 17.010 -6.378 1.00 51.39 ? 158 LEU d N 1 ? ? +38802 ATOM C CA . LEU X 20 147 ? 31.494 16.928 -7.088 1.00 51.53 ? 158 LEU d CA 1 ? ? +38803 ATOM C CB . LEU X 20 147 ? 32.536 16.239 -6.196 1.00 51.87 ? 158 LEU d CB 1 ? ? +38804 ATOM C CG . LEU X 20 147 ? 32.880 16.972 -4.899 1.00 52.48 ? 158 LEU d CG 1 ? ? +38805 ATOM C CD1 . LEU X 20 147 ? 33.936 16.237 -4.119 1.00 52.82 ? 158 LEU d CD1 1 ? ? +38806 ATOM C CD2 . LEU X 20 147 ? 33.365 18.403 -5.164 1.00 53.06 ? 158 LEU d CD2 1 ? ? +38807 ATOM C C . LEU X 20 147 ? 31.389 16.221 -8.438 1.00 50.91 ? 158 LEU d C 1 ? ? +38808 ATOM O O . LEU X 20 147 ? 31.672 16.823 -9.474 1.00 50.92 ? 158 LEU d O 1 ? ? +38809 ATOM N N . ILE X 20 148 ? 30.950 14.959 -8.442 1.00 50.31 ? 159 ILE d N 1 ? ? +38810 ATOM C CA . ILE X 20 148 ? 30.918 14.210 -9.687 1.00 49.84 ? 159 ILE d CA 1 ? ? +38811 ATOM C CB . ILE X 20 148 ? 30.564 12.737 -9.463 1.00 49.36 ? 159 ILE d CB 1 ? ? +38812 ATOM C CG1 . ILE X 20 148 ? 31.592 12.060 -8.585 1.00 49.65 ? 159 ILE d CG1 1 ? ? +38813 ATOM C CG2 . ILE X 20 148 ? 30.408 12.007 -10.804 1.00 48.93 ? 159 ILE d CG2 1 ? ? +38814 ATOM C CD1 . ILE X 20 148 ? 31.254 10.761 -8.156 1.00 49.28 ? 159 ILE d CD1 1 ? ? +38815 ATOM C C . ILE X 20 148 ? 29.967 14.864 -10.686 1.00 49.53 ? 159 ILE d C 1 ? ? +38816 ATOM O O . ILE X 20 148 ? 30.331 15.049 -11.848 1.00 49.50 ? 159 ILE d O 1 ? ? +38817 ATOM N N . TYR X 20 149 ? 28.760 15.226 -10.215 1.00 49.30 ? 160 TYR d N 1 ? ? +38818 ATOM C CA . TYR X 20 149 ? 27.746 15.783 -11.095 1.00 49.00 ? 160 TYR d CA 1 ? ? +38819 ATOM C CB . TYR X 20 149 ? 26.427 16.088 -10.343 1.00 48.89 ? 160 TYR d CB 1 ? ? +38820 ATOM C CG . TYR X 20 149 ? 25.436 16.780 -11.248 1.00 48.74 ? 160 TYR d CG 1 ? ? +38821 ATOM C CD1 . TYR X 20 149 ? 24.856 16.112 -12.307 1.00 48.29 ? 160 TYR d CD1 1 ? ? +38822 ATOM C CD2 . TYR X 20 149 ? 25.150 18.122 -11.097 1.00 49.15 ? 160 TYR d CD2 1 ? ? +38823 ATOM C CE1 . TYR X 20 149 ? 23.982 16.750 -13.171 1.00 48.23 ? 160 TYR d CE1 1 ? ? +38824 ATOM C CE2 . TYR X 20 149 ? 24.273 18.774 -11.952 1.00 49.10 ? 160 TYR d CE2 1 ? ? +38825 ATOM C CZ . TYR X 20 149 ? 23.685 18.083 -12.989 1.00 48.65 ? 160 TYR d CZ 1 ? ? +38826 ATOM O OH . TYR X 20 149 ? 22.797 18.720 -13.838 1.00 48.66 ? 160 TYR d OH 1 ? ? +38827 ATOM C C . TYR X 20 149 ? 28.210 17.025 -11.859 1.00 49.32 ? 160 TYR d C 1 ? ? +38828 ATOM O O . TYR X 20 149 ? 28.127 17.064 -13.077 1.00 49.12 ? 160 TYR d O 1 ? ? +38829 ATOM N N . PRO X 20 150 ? 28.676 18.101 -11.200 1.00 49.85 ? 161 PRO d N 1 ? ? +38830 ATOM C CA . PRO X 20 150 ? 29.235 19.244 -11.925 1.00 50.32 ? 161 PRO d CA 1 ? ? +38831 ATOM C CB . PRO X 20 150 ? 29.570 20.253 -10.803 1.00 50.93 ? 161 PRO d CB 1 ? ? +38832 ATOM C CG . PRO X 20 150 ? 29.740 19.432 -9.577 1.00 50.87 ? 161 PRO d CG 1 ? ? +38833 ATOM C CD . PRO X 20 150 ? 28.731 18.275 -9.743 1.00 50.16 ? 161 PRO d CD 1 ? ? +38834 ATOM C C . PRO X 20 150 ? 30.482 18.949 -12.765 1.00 50.46 ? 161 PRO d C 1 ? ? +38835 ATOM O O . PRO X 20 150 ? 30.675 19.591 -13.795 1.00 50.70 ? 161 PRO d O 1 ? ? +38836 ATOM N N . LEU X 20 151 ? 31.315 17.988 -12.334 1.00 50.35 ? 162 LEU d N 1 ? ? +38837 ATOM C CA . LEU X 20 151 ? 32.514 17.618 -13.080 1.00 50.48 ? 162 LEU d CA 1 ? ? +38838 ATOM C CB . LEU X 20 151 ? 33.400 16.665 -12.257 1.00 50.54 ? 162 LEU d CB 1 ? ? +38839 ATOM C CG . LEU X 20 151 ? 34.207 17.331 -11.152 1.00 51.16 ? 162 LEU d CG 1 ? ? +38840 ATOM C CD1 . LEU X 20 151 ? 34.726 16.321 -10.171 1.00 51.17 ? 162 LEU d CD1 1 ? ? +38841 ATOM C CD2 . LEU X 20 151 ? 35.364 18.130 -11.720 1.00 51.78 ? 162 LEU d CD2 1 ? ? +38842 ATOM C C . LEU X 20 151 ? 32.157 16.972 -14.414 1.00 49.94 ? 162 LEU d C 1 ? ? +38843 ATOM O O . LEU X 20 151 ? 32.903 17.050 -15.380 1.00 50.06 ? 162 LEU d O 1 ? ? +38844 ATOM N N . GLY X 20 152 ? 30.985 16.351 -14.470 1.00 49.37 ? 163 GLY d N 1 ? ? +38845 ATOM C CA . GLY X 20 152 ? 30.472 15.826 -15.724 1.00 48.93 ? 163 GLY d CA 1 ? ? +38846 ATOM C C . GLY X 20 152 ? 29.894 16.905 -16.638 1.00 49.03 ? 163 GLY d C 1 ? ? +38847 ATOM O O . GLY X 20 152 ? 29.921 16.753 -17.851 1.00 48.86 ? 163 GLY d O 1 ? ? +38848 ATOM N N . GLN X 20 153 ? 29.392 17.988 -16.034 1.00 49.35 ? 164 GLN d N 1 ? ? +38849 ATOM C CA . GLN X 20 153 ? 28.749 19.076 -16.751 1.00 49.56 ? 164 GLN d CA 1 ? ? +38850 ATOM C CB . GLN X 20 153 ? 27.650 19.700 -15.860 1.00 49.52 ? 164 GLN d CB 1 ? ? +38851 ATOM C CG . GLN X 20 153 ? 26.486 18.753 -15.521 1.00 48.89 ? 164 GLN d CG 1 ? ? +38852 ATOM C CD . GLN X 20 153 ? 25.682 18.368 -16.727 1.00 48.45 ? 164 GLN d CD 1 ? ? +38853 ATOM O OE1 . GLN X 20 153 ? 25.541 19.116 -17.680 1.00 48.61 ? 164 GLN d OE1 1 ? ? +38854 ATOM N NE2 . GLN X 20 153 ? 25.100 17.187 -16.711 1.00 47.96 ? 164 GLN d NE2 1 ? ? +38855 ATOM C C . GLN X 20 153 ? 29.817 20.096 -17.148 1.00 50.36 ? 164 GLN d C 1 ? ? +38856 ATOM O O . GLN X 20 153 ? 31.002 19.803 -17.051 1.00 50.76 ? 164 GLN d O 1 ? ? +38857 ATOM N N . SER X 20 154 ? 29.400 21.294 -17.581 1.00 50.75 ? 165 SER d N 1 ? ? +38858 ATOM C CA . SER X 20 154 ? 30.309 22.268 -18.155 1.00 51.42 ? 165 SER d CA 1 ? ? +38859 ATOM C CB . SER X 20 154 ? 29.537 23.309 -18.949 1.00 51.48 ? 165 SER d CB 1 ? ? +38860 ATOM O OG . SER X 20 154 ? 28.755 24.105 -18.079 1.00 51.61 ? 165 SER d OG 1 ? ? +38861 ATOM C C . SER X 20 154 ? 31.187 22.960 -17.111 1.00 52.23 ? 165 SER d C 1 ? ? +38862 ATOM O O . SER X 20 154 ? 32.306 23.369 -17.424 1.00 52.83 ? 165 SER d O 1 ? ? +38863 ATOM N N . SER X 20 155 ? 30.667 23.095 -15.883 1.00 52.35 ? 166 SER d N 1 ? ? +38864 ATOM C CA . SER X 20 155 ? 31.328 23.853 -14.834 1.00 53.00 ? 166 SER d CA 1 ? ? +38865 ATOM C CB . SER X 20 155 ? 31.266 25.336 -15.150 1.00 53.58 ? 166 SER d CB 1 ? ? +38866 ATOM O OG . SER X 20 155 ? 29.939 25.794 -14.976 1.00 53.38 ? 166 SER d OG 1 ? ? +38867 ATOM C C . SER X 20 155 ? 30.686 23.643 -13.467 1.00 52.92 ? 166 SER d C 1 ? ? +38868 ATOM O O . SER X 20 155 ? 29.626 23.031 -13.364 1.00 52.37 ? 166 SER d O 1 ? ? +38869 ATOM N N . TRP X 20 156 ? 31.322 24.195 -12.427 1.00 53.52 ? 167 TRP d N 1 ? ? +38870 ATOM C CA . TRP X 20 156 ? 30.760 24.178 -11.088 1.00 53.56 ? 167 TRP d CA 1 ? ? +38871 ATOM C CB . TRP X 20 156 ? 31.675 24.861 -10.081 1.00 54.21 ? 167 TRP d CB 1 ? ? +38872 ATOM C CG . TRP X 20 156 ? 33.028 24.262 -9.881 1.00 54.48 ? 167 TRP d CG 1 ? ? +38873 ATOM C CD1 . TRP X 20 156 ? 34.225 24.908 -9.994 1.00 55.11 ? 167 TRP d CD1 1 ? ? +38874 ATOM N NE1 . TRP X 20 156 ? 35.249 24.052 -9.691 1.00 55.24 ? 167 TRP d NE1 1 ? ? +38875 ATOM C CE2 . TRP X 20 156 ? 34.730 22.824 -9.371 1.00 54.60 ? 167 TRP d CE2 1 ? ? +38876 ATOM C CZ2 . TRP X 20 156 ? 35.369 21.642 -9.000 1.00 54.44 ? 167 TRP d CZ2 1 ? ? +38877 ATOM C CH2 . TRP X 20 156 ? 34.580 20.558 -8.725 1.00 53.80 ? 167 TRP d CH2 1 ? ? +38878 ATOM C CZ3 . TRP X 20 156 ? 33.195 20.625 -8.814 1.00 53.30 ? 167 TRP d CZ3 1 ? ? +38879 ATOM C CE3 . TRP X 20 156 ? 32.556 21.800 -9.177 1.00 53.48 ? 167 TRP d CE3 1 ? ? +38880 ATOM C CD2 . TRP X 20 156 ? 33.329 22.929 -9.460 1.00 54.11 ? 167 TRP d CD2 1 ? ? +38881 ATOM C C . TRP X 20 156 ? 29.407 24.881 -10.986 1.00 53.53 ? 167 TRP d C 1 ? ? +38882 ATOM O O . TRP X 20 156 ? 28.682 24.667 -10.020 1.00 53.36 ? 167 TRP d O 1 ? ? +38883 ATOM N N . PHE X 20 157 ? 29.098 25.757 -11.949 1.00 53.81 ? 168 PHE d N 1 ? ? +38884 ATOM C CA . PHE X 20 157 ? 27.888 26.565 -11.923 1.00 53.94 ? 168 PHE d CA 1 ? ? +38885 ATOM C CB . PHE X 20 157 ? 27.771 27.370 -13.234 1.00 54.12 ? 168 PHE d CB 1 ? ? +38886 ATOM C CG . PHE X 20 157 ? 26.557 28.266 -13.335 1.00 54.14 ? 168 PHE d CG 1 ? ? +38887 ATOM C CD1 . PHE X 20 157 ? 26.573 29.546 -12.814 1.00 54.78 ? 168 PHE d CD1 1 ? ? +38888 ATOM C CD2 . PHE X 20 157 ? 25.387 27.814 -13.911 1.00 53.61 ? 168 PHE d CD2 1 ? ? +38889 ATOM C CE1 . PHE X 20 157 ? 25.446 30.360 -12.891 1.00 54.80 ? 168 PHE d CE1 1 ? ? +38890 ATOM C CE2 . PHE X 20 157 ? 24.271 28.636 -13.994 1.00 53.63 ? 168 PHE d CE2 1 ? ? +38891 ATOM C CZ . PHE X 20 157 ? 24.310 29.902 -13.490 1.00 54.21 ? 168 PHE d CZ 1 ? ? +38892 ATOM C C . PHE X 20 157 ? 26.626 25.723 -11.726 1.00 53.44 ? 168 PHE d C 1 ? ? +38893 ATOM O O . PHE X 20 157 ? 25.698 26.138 -11.045 1.00 53.34 ? 168 PHE d O 1 ? ? +38894 ATOM N N . PHE X 20 158 ? 26.632 24.526 -12.313 1.00 53.17 ? 169 PHE d N 1 ? ? +38895 ATOM C CA . PHE X 20 158 ? 25.484 23.648 -12.314 1.00 52.84 ? 169 PHE d CA 1 ? ? +38896 ATOM C CB . PHE X 20 158 ? 25.450 22.913 -13.656 1.00 52.48 ? 169 PHE d CB 1 ? ? +38897 ATOM C CG . PHE X 20 158 ? 25.097 23.855 -14.784 1.00 52.68 ? 169 PHE d CG 1 ? ? +38898 ATOM C CD1 . PHE X 20 158 ? 23.805 24.333 -14.930 1.00 52.58 ? 169 PHE d CD1 1 ? ? +38899 ATOM C CD2 . PHE X 20 158 ? 26.066 24.292 -15.672 1.00 53.04 ? 169 PHE d CD2 1 ? ? +38900 ATOM C CE1 . PHE X 20 158 ? 23.486 25.211 -15.956 1.00 52.79 ? 169 PHE d CE1 1 ? ? +38901 ATOM C CE2 . PHE X 20 158 ? 25.746 25.166 -16.701 1.00 53.25 ? 169 PHE d CE2 1 ? ? +38902 ATOM C CZ . PHE X 20 158 ? 24.459 25.627 -16.835 1.00 53.18 ? 169 PHE d CZ 1 ? ? +38903 ATOM C C . PHE X 20 158 ? 25.440 22.701 -11.117 1.00 52.81 ? 169 PHE d C 1 ? ? +38904 ATOM O O . PHE X 20 158 ? 24.429 22.027 -10.900 1.00 52.91 ? 169 PHE d O 1 ? ? +38905 ATOM N N . ALA X 20 159 ? 26.490 22.705 -10.296 1.00 53.14 ? 170 ALA d N 1 ? ? +38906 ATOM C CA . ALA X 20 159 ? 26.411 22.069 -8.991 1.00 53.01 ? 170 ALA d CA 1 ? ? +38907 ATOM C CB . ALA X 20 159 ? 27.716 22.251 -8.233 1.00 53.54 ? 170 ALA d CB 1 ? ? +38908 ATOM C C . ALA X 20 159 ? 25.267 22.682 -8.187 1.00 52.98 ? 170 ALA d C 1 ? ? +38909 ATOM O O . ALA X 20 159 ? 24.753 23.736 -8.543 1.00 53.23 ? 170 ALA d O 1 ? ? +38910 ATOM N N . PRO X 20 160 ? 24.854 22.077 -7.055 1.00 52.70 ? 171 PRO d N 1 ? ? +38911 ATOM C CA . PRO X 20 160 ? 23.932 22.752 -6.147 1.00 52.77 ? 171 PRO d CA 1 ? ? +38912 ATOM C CB . PRO X 20 160 ? 23.421 21.624 -5.238 1.00 52.44 ? 171 PRO d CB 1 ? ? +38913 ATOM C CG . PRO X 20 160 ? 24.462 20.583 -5.289 1.00 52.36 ? 171 PRO d CG 1 ? ? +38914 ATOM C CD . PRO X 20 160 ? 25.216 20.726 -6.601 1.00 52.41 ? 171 PRO d CD 1 ? ? +38915 ATOM C C . PRO X 20 160 ? 24.643 23.875 -5.396 1.00 53.31 ? 171 PRO d C 1 ? ? +38916 ATOM O O . PRO X 20 160 ? 25.799 23.743 -4.978 1.00 53.63 ? 171 PRO d O 1 ? ? +38917 ATOM N N . SER X 20 161 ? 23.931 24.999 -5.269 1.00 53.31 ? 172 SER d N 1 ? ? +38918 ATOM C CA . SER X 20 161 ? 24.331 26.082 -4.395 1.00 53.73 ? 172 SER d CA 1 ? ? +38919 ATOM C CB . SER X 20 161 ? 23.735 27.384 -4.886 1.00 53.92 ? 172 SER d CB 1 ? ? +38920 ATOM O OG . SER X 20 161 ? 24.237 27.676 -6.178 1.00 53.96 ? 172 SER d OG 1 ? ? +38921 ATOM C C . SER X 20 161 ? 23.915 25.756 -2.963 1.00 53.64 ? 172 SER d C 1 ? ? +38922 ATOM O O . SER X 20 161 ? 22.924 25.059 -2.748 1.00 53.30 ? 172 SER d O 1 ? ? +38923 ATOM N N . PHE X 20 162 ? 24.702 26.240 -1.995 1.00 54.02 ? 173 PHE d N 1 ? ? +38924 ATOM C CA . PHE X 20 162 ? 24.513 25.912 -0.594 1.00 53.97 ? 173 PHE d CA 1 ? ? +38925 ATOM C CB . PHE X 20 162 ? 25.842 26.004 0.160 1.00 54.57 ? 173 PHE d CB 1 ? ? +38926 ATOM C CG . PHE X 20 162 ? 26.877 24.971 -0.216 1.00 54.44 ? 173 PHE d CG 1 ? ? +38927 ATOM C CD1 . PHE X 20 162 ? 26.754 23.662 0.205 1.00 54.03 ? 173 PHE d CD1 1 ? ? +38928 ATOM C CD2 . PHE X 20 162 ? 27.989 25.321 -0.972 1.00 54.77 ? 173 PHE d CD2 1 ? ? +38929 ATOM C CE1 . PHE X 20 162 ? 27.716 22.721 -0.127 1.00 53.91 ? 173 PHE d CE1 1 ? ? +38930 ATOM C CE2 . PHE X 20 162 ? 28.957 24.374 -1.297 1.00 54.61 ? 173 PHE d CE2 1 ? ? +38931 ATOM C CZ . PHE X 20 162 ? 28.810 23.082 -0.878 1.00 54.19 ? 173 PHE d CZ 1 ? ? +38932 ATOM C C . PHE X 20 162 ? 23.494 26.862 0.024 1.00 54.03 ? 173 PHE d C 1 ? ? +38933 ATOM O O . PHE X 20 162 ? 23.856 27.862 0.635 1.00 54.54 ? 173 PHE d O 1 ? ? +38934 ATOM N N . GLY X 20 163 ? 22.210 26.540 -0.156 1.00 53.42 ? 174 GLY d N 1 ? ? +38935 ATOM C CA . GLY X 20 163 ? 21.133 27.327 0.416 1.00 53.46 ? 174 GLY d CA 1 ? ? +38936 ATOM C C . GLY X 20 163 ? 19.803 26.602 0.288 1.00 52.78 ? 174 GLY d C 1 ? ? +38937 ATOM O O . GLY X 20 163 ? 19.683 25.664 -0.486 1.00 52.16 ? 174 GLY d O 1 ? ? +38938 ATOM N N . VAL X 20 164 ? 18.807 27.054 1.053 1.00 52.88 ? 175 VAL d N 1 ? ? +38939 ATOM C CA . VAL X 20 164 ? 17.538 26.352 1.141 1.00 52.38 ? 175 VAL d CA 1 ? ? +38940 ATOM C CB . VAL X 20 164 ? 16.718 26.863 2.334 1.00 52.75 ? 175 VAL d CB 1 ? ? +38941 ATOM C CG1 . VAL X 20 164 ? 15.302 26.302 2.319 1.00 52.42 ? 175 VAL d CG1 1 ? ? +38942 ATOM C CG2 . VAL X 20 164 ? 17.419 26.532 3.646 1.00 53.03 ? 175 VAL d CG2 1 ? ? +38943 ATOM C C . VAL X 20 164 ? 16.785 26.432 -0.183 1.00 51.93 ? 175 VAL d C 1 ? ? +38944 ATOM O O . VAL X 20 164 ? 16.518 25.407 -0.813 1.00 51.37 ? 175 VAL d O 1 ? ? +38945 ATOM N N . ALA X 20 165 ? 16.462 27.655 -0.605 1.00 52.24 ? 176 ALA d N 1 ? ? +38946 ATOM C CA . ALA X 20 165 ? 15.782 27.873 -1.871 1.00 52.01 ? 176 ALA d CA 1 ? ? +38947 ATOM C CB . ALA X 20 165 ? 15.330 29.315 -1.980 1.00 52.46 ? 176 ALA d CB 1 ? ? +38948 ATOM C C . ALA X 20 165 ? 16.641 27.488 -3.076 1.00 51.81 ? 176 ALA d C 1 ? ? +38949 ATOM O O . ALA X 20 165 ? 16.118 27.090 -4.108 1.00 51.46 ? 176 ALA d O 1 ? ? +38950 ATOM N N . ALA X 20 166 ? 17.966 27.594 -2.945 1.00 52.13 ? 177 ALA d N 1 ? ? +38951 ATOM C CA . ALA X 20 166 ? 18.878 27.212 -4.012 1.00 51.95 ? 177 ALA d CA 1 ? ? +38952 ATOM C CB . ALA X 20 166 ? 20.294 27.617 -3.669 1.00 52.40 ? 177 ALA d CB 1 ? ? +38953 ATOM C C . ALA X 20 166 ? 18.794 25.714 -4.284 1.00 51.37 ? 177 ALA d C 1 ? ? +38954 ATOM O O . ALA X 20 166 ? 18.741 25.298 -5.433 1.00 51.03 ? 177 ALA d O 1 ? ? +38955 ATOM N N . ILE X 20 167 ? 18.770 24.903 -3.224 1.00 51.34 ? 178 ILE d N 1 ? ? +38956 ATOM C CA . ILE X 20 167 ? 18.527 23.475 -3.358 1.00 50.81 ? 178 ILE d CA 1 ? ? +38957 ATOM C CB . ILE X 20 167 ? 18.736 22.805 -1.993 1.00 50.95 ? 178 ILE d CB 1 ? ? +38958 ATOM C CG1 . ILE X 20 167 ? 20.236 22.707 -1.644 1.00 51.27 ? 178 ILE d CG1 1 ? ? +38959 ATOM C CG2 . ILE X 20 167 ? 18.084 21.455 -1.930 1.00 50.48 ? 178 ILE d CG2 1 ? ? +38960 ATOM C CD1 . ILE X 20 167 ? 21.008 21.715 -2.471 1.00 50.92 ? 178 ILE d CD1 1 ? ? +38961 ATOM C C . ILE X 20 167 ? 17.147 23.159 -3.944 1.00 50.43 ? 178 ILE d C 1 ? ? +38962 ATOM O O . ILE X 20 167 ? 17.028 22.241 -4.756 1.00 49.99 ? 178 ILE d O 1 ? ? +38963 ATOM N N . PHE X 20 168 ? 16.102 23.907 -3.554 1.00 50.58 ? 179 PHE d N 1 ? ? +38964 ATOM C CA . PHE X 20 168 ? 14.800 23.713 -4.177 1.00 50.25 ? 179 PHE d CA 1 ? ? +38965 ATOM C CB . PHE X 20 168 ? 13.717 24.635 -3.574 1.00 50.51 ? 179 PHE d CB 1 ? ? +38966 ATOM C CG . PHE X 20 168 ? 13.470 24.461 -2.096 1.00 50.63 ? 179 PHE d CG 1 ? ? +38967 ATOM C CD1 . PHE X 20 168 ? 13.751 23.268 -1.462 1.00 50.34 ? 179 PHE d CD1 1 ? ? +38968 ATOM C CD2 . PHE X 20 168 ? 12.979 25.503 -1.333 1.00 51.07 ? 179 PHE d CD2 1 ? ? +38969 ATOM C CE1 . PHE X 20 168 ? 13.515 23.116 -0.106 1.00 50.50 ? 179 PHE d CE1 1 ? ? +38970 ATOM C CE2 . PHE X 20 168 ? 12.782 25.352 0.034 1.00 51.23 ? 179 PHE d CE2 1 ? ? +38971 ATOM C CZ . PHE X 20 168 ? 13.056 24.165 0.635 1.00 50.94 ? 179 PHE d CZ 1 ? ? +38972 ATOM C C . PHE X 20 168 ? 14.901 23.930 -5.688 1.00 50.12 ? 179 PHE d C 1 ? ? +38973 ATOM O O . PHE X 20 168 ? 14.343 23.170 -6.470 1.00 49.76 ? 179 PHE d O 1 ? ? +38974 ATOM N N . ARG X 20 169 ? 15.630 24.962 -6.112 1.00 50.52 ? 180 ARG d N 1 ? ? +38975 ATOM C CA . ARG X 20 169 ? 15.859 25.182 -7.531 1.00 50.43 ? 180 ARG d CA 1 ? ? +38976 ATOM C CB . ARG X 20 169 ? 16.711 26.446 -7.729 1.00 50.99 ? 180 ARG d CB 1 ? ? +38977 ATOM C CG . ARG X 20 169 ? 17.292 26.628 -9.101 1.00 50.98 ? 180 ARG d CG 1 ? ? +38978 ATOM C CD . ARG X 20 169 ? 18.659 25.979 -9.210 1.00 50.96 ? 180 ARG d CD 1 ? ? +38979 ATOM N NE . ARG X 20 169 ? 19.287 26.203 -10.507 1.00 50.97 ? 180 ARG d NE 1 ? ? +38980 ATOM C CZ . ARG X 20 169 ? 20.153 25.368 -11.048 1.00 50.76 ? 180 ARG d CZ 1 ? ? +38981 ATOM N NH1 . ARG X 20 169 ? 20.765 24.451 -10.322 1.00 50.65 ? 180 ARG d NH1 1 ? ? +38982 ATOM N NH2 . ARG X 20 169 ? 20.384 25.424 -12.356 1.00 50.72 ? 180 ARG d NH2 1 ? ? +38983 ATOM C C . ARG X 20 169 ? 16.484 23.941 -8.163 1.00 49.99 ? 180 ARG d C 1 ? ? +38984 ATOM O O . ARG X 20 169 ? 16.084 23.521 -9.247 1.00 49.55 ? 180 ARG d O 1 ? ? +38985 ATOM N N . PHE X 20 170 ? 17.455 23.350 -7.454 1.00 50.11 ? 181 PHE d N 1 ? ? +38986 ATOM C CA . PHE X 20 170 ? 18.153 22.160 -7.918 1.00 49.77 ? 181 PHE d CA 1 ? ? +38987 ATOM C CB . PHE X 20 170 ? 19.203 21.747 -6.887 1.00 50.05 ? 181 PHE d CB 1 ? ? +38988 ATOM C CG . PHE X 20 170 ? 20.255 20.807 -7.403 1.00 49.94 ? 181 PHE d CG 1 ? ? +38989 ATOM C CD1 . PHE X 20 170 ? 21.216 21.243 -8.300 1.00 50.21 ? 181 PHE d CD1 1 ? ? +38990 ATOM C CD2 . PHE X 20 170 ? 20.301 19.488 -6.975 1.00 49.65 ? 181 PHE d CD2 1 ? ? +38991 ATOM C CE1 . PHE X 20 170 ? 22.197 20.375 -8.770 1.00 50.03 ? 181 PHE d CE1 1 ? ? +38992 ATOM C CE2 . PHE X 20 170 ? 21.281 18.624 -7.442 1.00 49.50 ? 181 PHE d CE2 1 ? ? +38993 ATOM C CZ . PHE X 20 170 ? 22.221 19.075 -8.338 1.00 49.69 ? 181 PHE d CZ 1 ? ? +38994 ATOM C C . PHE X 20 170 ? 17.169 21.021 -8.181 1.00 49.13 ? 181 PHE d C 1 ? ? +38995 ATOM O O . PHE X 20 170 ? 17.214 20.378 -9.230 1.00 48.74 ? 181 PHE d O 1 ? ? +38996 ATOM N N . LEU X 20 171 ? 16.260 20.792 -7.227 1.00 49.04 ? 182 LEU d N 1 ? ? +38997 ATOM C CA . LEU X 20 171 ? 15.223 19.776 -7.384 1.00 48.50 ? 182 LEU d CA 1 ? ? +38998 ATOM C CB . LEU X 20 171 ? 14.222 19.807 -6.220 1.00 48.70 ? 182 LEU d CB 1 ? ? +38999 ATOM C CG . LEU X 20 171 ? 14.805 19.676 -4.832 1.00 49.07 ? 182 LEU d CG 1 ? ? +39000 ATOM C CD1 . LEU X 20 171 ? 13.711 19.709 -3.802 1.00 49.23 ? 182 LEU d CD1 1 ? ? +39001 ATOM C CD2 . LEU X 20 171 ? 15.641 18.407 -4.675 1.00 48.83 ? 182 LEU d CD2 1 ? ? +39002 ATOM C C . LEU X 20 171 ? 14.441 19.966 -8.677 1.00 48.10 ? 182 LEU d C 1 ? ? +39003 ATOM O O . LEU X 20 171 ? 14.249 19.015 -9.424 1.00 47.68 ? 182 LEU d O 1 ? ? +39004 ATOM N N A LEU X 20 172 ? 13.998 21.206 -8.916 0.40 48.35 ? 183 LEU d N 1 ? ? +39005 ATOM N N B LEU X 20 172 ? 14.009 21.207 -8.931 0.60 48.35 ? 183 LEU d N 1 ? ? +39006 ATOM C CA A LEU X 20 172 ? 13.126 21.525 -10.032 0.40 48.17 ? 183 LEU d CA 1 ? ? +39007 ATOM C CA B LEU X 20 172 ? 13.123 21.510 -10.043 0.60 48.18 ? 183 LEU d CA 1 ? ? +39008 ATOM C C A LEU X 20 172 ? 13.861 21.482 -11.370 0.40 47.98 ? 183 LEU d C 1 ? ? +39009 ATOM C C B LEU X 20 172 ? 13.853 21.507 -11.383 0.60 47.99 ? 183 LEU d C 1 ? ? +39010 ATOM O O A LEU X 20 172 ? 13.302 21.047 -12.374 0.40 47.67 ? 183 LEU d O 1 ? ? +39011 ATOM O O B LEU X 20 172 ? 13.280 21.136 -12.406 0.60 47.67 ? 183 LEU d O 1 ? ? +39012 ATOM C CB A LEU X 20 172 ? 12.502 22.897 -9.778 0.40 48.63 ? 183 LEU d CB 1 ? ? +39013 ATOM C CB B LEU X 20 172 ? 12.440 22.860 -9.782 0.60 48.62 ? 183 LEU d CB 1 ? ? +39014 ATOM C CG A LEU X 20 172 ? 11.616 22.964 -8.520 0.40 48.77 ? 183 LEU d CG 1 ? ? +39015 ATOM C CG B LEU X 20 172 ? 11.570 22.915 -8.515 0.60 48.78 ? 183 LEU d CG 1 ? ? +39016 ATOM C CD1 A LEU X 20 172 ? 10.890 24.290 -8.415 0.40 49.21 ? 183 LEU d CD1 1 ? ? +39017 ATOM C CD1 B LEU X 20 172 ? 10.832 24.249 -8.400 0.60 49.24 ? 183 LEU d CD1 1 ? ? +39018 ATOM C CD2 A LEU X 20 172 ? 10.615 21.825 -8.490 0.40 48.33 ? 183 LEU d CD2 1 ? ? +39019 ATOM C CD2 B LEU X 20 172 ? 10.582 21.780 -8.473 0.60 48.34 ? 183 LEU d CD2 1 ? ? +39020 ATOM N N . PHE X 20 173 ? 15.127 21.914 -11.369 1.00 48.21 ? 184 PHE d N 1 ? ? +39021 ATOM C CA . PHE X 20 173 ? 15.983 21.770 -12.534 1.00 48.01 ? 184 PHE d CA 1 ? ? +39022 ATOM C CB . PHE X 20 173 ? 17.370 22.354 -12.261 1.00 48.42 ? 184 PHE d CB 1 ? ? +39023 ATOM C CG . PHE X 20 173 ? 18.327 22.274 -13.427 1.00 48.41 ? 184 PHE d CG 1 ? ? +39024 ATOM C CD1 . PHE X 20 173 ? 18.941 21.082 -13.762 1.00 48.06 ? 184 PHE d CD1 1 ? ? +39025 ATOM C CD2 . PHE X 20 173 ? 18.604 23.389 -14.195 1.00 48.80 ? 184 PHE d CD2 1 ? ? +39026 ATOM C CE1 . PHE X 20 173 ? 19.830 21.020 -14.837 1.00 48.08 ? 184 PHE d CE1 1 ? ? +39027 ATOM C CE2 . PHE X 20 173 ? 19.486 23.318 -15.268 1.00 48.81 ? 184 PHE d CE2 1 ? ? +39028 ATOM C CZ . PHE X 20 173 ? 20.087 22.138 -15.582 1.00 48.44 ? 184 PHE d CZ 1 ? ? +39029 ATOM C C . PHE X 20 173 ? 16.073 20.296 -12.914 1.00 47.38 ? 184 PHE d C 1 ? ? +39030 ATOM O O . PHE X 20 173 ? 15.921 19.938 -14.076 1.00 47.09 ? 184 PHE d O 1 ? ? +39031 ATOM N N . PHE X 20 174 ? 16.289 19.435 -11.917 1.00 47.17 ? 185 PHE d N 1 ? ? +39032 ATOM C CA . PHE X 20 174 ? 16.431 18.013 -12.183 1.00 46.68 ? 185 PHE d CA 1 ? ? +39033 ATOM C CB . PHE X 20 174 ? 16.932 17.256 -10.945 1.00 46.68 ? 185 PHE d CB 1 ? ? +39034 ATOM C CG . PHE X 20 174 ? 18.450 17.136 -10.894 1.00 46.92 ? 185 PHE d CG 1 ? ? +39035 ATOM C CD1 . PHE X 20 174 ? 19.257 18.250 -11.060 1.00 47.36 ? 185 PHE d CD1 1 ? ? +39036 ATOM C CD2 . PHE X 20 174 ? 19.060 15.911 -10.673 1.00 46.70 ? 185 PHE d CD2 1 ? ? +39037 ATOM C CE1 . PHE X 20 174 ? 20.647 18.137 -11.018 1.00 47.62 ? 185 PHE d CE1 1 ? ? +39038 ATOM C CE2 . PHE X 20 174 ? 20.441 15.803 -10.615 1.00 46.94 ? 185 PHE d CE2 1 ? ? +39039 ATOM C CZ . PHE X 20 174 ? 21.234 16.917 -10.793 1.00 47.38 ? 185 PHE d CZ 1 ? ? +39040 ATOM C C . PHE X 20 174 ? 15.171 17.362 -12.745 1.00 46.23 ? 185 PHE d C 1 ? ? +39041 ATOM O O . PHE X 20 174 ? 15.275 16.414 -13.517 1.00 45.88 ? 185 PHE d O 1 ? ? +39042 ATOM N N A GLN X 20 175 ? 13.992 17.878 -12.376 0.40 46.29 ? 186 GLN d N 1 ? ? +39043 ATOM N N B GLN X 20 175 ? 13.993 17.846 -12.326 0.60 46.30 ? 186 GLN d N 1 ? ? +39044 ATOM C CA A GLN X 20 175 ? 12.747 17.384 -12.940 0.40 45.96 ? 186 GLN d CA 1 ? ? +39045 ATOM C CA B GLN X 20 175 ? 12.741 17.401 -12.913 0.60 45.98 ? 186 GLN d CA 1 ? ? +39046 ATOM C C A GLN X 20 175 ? 12.645 17.817 -14.399 0.40 45.95 ? 186 GLN d C 1 ? ? +39047 ATOM C C B GLN X 20 175 ? 12.727 17.817 -14.379 0.60 45.97 ? 186 GLN d C 1 ? ? +39048 ATOM O O A GLN X 20 175 ? 12.468 16.990 -15.289 0.40 45.61 ? 186 GLN d O 1 ? ? +39049 ATOM O O B GLN X 20 175 ? 12.687 16.973 -15.267 0.60 45.64 ? 186 GLN d O 1 ? ? +39050 ATOM C CB A GLN X 20 175 ? 11.543 17.893 -12.142 0.40 46.12 ? 186 GLN d CB 1 ? ? +39051 ATOM C CB B GLN X 20 175 ? 11.530 17.984 -12.153 0.60 46.18 ? 186 GLN d CB 1 ? ? +39052 ATOM C CG A GLN X 20 175 ? 10.201 17.492 -12.743 0.40 45.87 ? 186 GLN d CG 1 ? ? +39053 ATOM C CG B GLN X 20 175 ? 10.146 17.578 -12.713 0.60 45.93 ? 186 GLN d CG 1 ? ? +39054 ATOM C CD A GLN X 20 175 ? 10.122 16.016 -13.017 0.40 45.39 ? 186 GLN d CD 1 ? ? +39055 ATOM C CD B GLN X 20 175 ? 10.002 16.096 -12.937 0.60 45.45 ? 186 GLN d CD 1 ? ? +39056 ATOM O OE1 A GLN X 20 175 ? 10.394 15.179 -12.151 0.40 45.25 ? 186 GLN d OE1 1 ? ? +39057 ATOM O OE1 B GLN X 20 175 ? 10.204 15.289 -12.026 0.60 45.33 ? 186 GLN d OE1 1 ? ? +39058 ATOM N NE2 A GLN X 20 175 ? 9.765 15.668 -14.242 0.40 45.15 ? 186 GLN d NE2 1 ? ? +39059 ATOM N NE2 B GLN X 20 175 ? 9.665 15.711 -14.166 0.60 45.19 ? 186 GLN d NE2 1 ? ? +39060 ATOM N N A GLY X 20 176 ? 12.796 19.124 -14.626 0.40 46.36 ? 187 GLY d N 1 ? ? +39061 ATOM N N B GLY X 20 176 ? 12.823 19.127 -14.621 0.60 46.37 ? 187 GLY d N 1 ? ? +39062 ATOM C CA A GLY X 20 176 ? 12.609 19.708 -15.944 0.40 46.44 ? 187 GLY d CA 1 ? ? +39063 ATOM C CA B GLY X 20 176 ? 12.617 19.676 -15.951 0.60 46.44 ? 187 GLY d CA 1 ? ? +39064 ATOM C C A GLY X 20 176 ? 13.593 19.219 -17.002 0.40 46.30 ? 187 GLY d C 1 ? ? +39065 ATOM C C B GLY X 20 176 ? 13.598 19.167 -17.001 0.60 46.28 ? 187 GLY d C 1 ? ? +39066 ATOM O O A GLY X 20 176 ? 13.195 18.924 -18.127 0.40 46.08 ? 187 GLY d O 1 ? ? +39067 ATOM O O B GLY X 20 176 ? 13.211 18.804 -18.109 0.60 46.05 ? 187 GLY d O 1 ? ? +39068 ATOM N N . PHE X 20 177 ? 14.881 19.152 -16.634 1.00 46.45 ? 188 PHE d N 1 ? ? +39069 ATOM C CA . PHE X 20 177 ? 15.945 18.825 -17.577 1.00 46.42 ? 188 PHE d CA 1 ? ? +39070 ATOM C CB . PHE X 20 177 ? 17.180 19.667 -17.254 1.00 46.83 ? 188 PHE d CB 1 ? ? +39071 ATOM C CG . PHE X 20 177 ? 17.010 21.122 -17.642 1.00 47.27 ? 188 PHE d CG 1 ? ? +39072 ATOM C CD1 . PHE X 20 177 ? 17.359 21.561 -18.901 1.00 47.38 ? 188 PHE d CD1 1 ? ? +39073 ATOM C CD2 . PHE X 20 177 ? 16.469 22.042 -16.752 1.00 47.58 ? 188 PHE d CD2 1 ? ? +39074 ATOM C CE1 . PHE X 20 177 ? 17.214 22.891 -19.251 1.00 47.84 ? 188 PHE d CE1 1 ? ? +39075 ATOM C CE2 . PHE X 20 177 ? 16.311 23.368 -17.112 1.00 48.01 ? 188 PHE d CE2 1 ? ? +39076 ATOM C CZ . PHE X 20 177 ? 16.702 23.789 -18.353 1.00 48.15 ? 188 PHE d CZ 1 ? ? +39077 ATOM C C . PHE X 20 177 ? 16.279 17.335 -17.630 1.00 46.06 ? 188 PHE d C 1 ? ? +39078 ATOM O O . PHE X 20 177 ? 16.478 16.802 -18.717 1.00 45.92 ? 188 PHE d O 1 ? ? +39079 ATOM N N . HIS X 20 178 ? 16.305 16.664 -16.470 1.00 46.01 ? 189 HIS d N 1 ? ? +39080 ATOM C CA . HIS X 20 178 ? 16.696 15.265 -16.386 1.00 45.69 ? 189 HIS d CA 1 ? ? +39081 ATOM C CB . HIS X 20 178 ? 17.646 15.091 -15.210 1.00 45.88 ? 189 HIS d CB 1 ? ? +39082 ATOM C CG . HIS X 20 178 ? 18.950 15.819 -15.331 1.00 46.30 ? 189 HIS d CG 1 ? ? +39083 ATOM N ND1 . HIS X 20 178 ? 19.756 15.673 -16.432 1.00 46.31 ? 189 HIS d ND1 1 ? ? +39084 ATOM C CE1 . HIS X 20 178 ? 20.841 16.399 -16.201 1.00 46.75 ? 189 HIS d CE1 1 ? ? +39085 ATOM N NE2 . HIS X 20 178 ? 20.773 16.996 -15.014 1.00 47.02 ? 189 HIS d NE2 1 ? ? +39086 ATOM C CD2 . HIS X 20 178 ? 19.564 16.638 -14.457 1.00 46.77 ? 189 HIS d CD2 1 ? ? +39087 ATOM C C . HIS X 20 178 ? 15.566 14.250 -16.202 1.00 45.36 ? 189 HIS d C 1 ? ? +39088 ATOM O O . HIS X 20 178 ? 15.812 13.044 -16.258 1.00 45.06 ? 189 HIS d O 1 ? ? +39089 ATOM N N A ASN X 20 179 ? 14.341 14.747 -15.989 0.40 45.44 ? 190 ASN d N 1 ? ? +39090 ATOM N N B ASN X 20 179 ? 14.339 14.736 -15.962 0.60 45.42 ? 190 ASN d N 1 ? ? +39091 ATOM C CA A ASN X 20 179 ? 13.203 13.899 -15.677 0.40 45.16 ? 190 ASN d CA 1 ? ? +39092 ATOM C CA B ASN X 20 179 ? 13.193 13.885 -15.676 0.60 45.13 ? 190 ASN d CA 1 ? ? +39093 ATOM C C A ASN X 20 179 ? 13.579 12.873 -14.613 0.40 45.09 ? 190 ASN d C 1 ? ? +39094 ATOM C C B ASN X 20 179 ? 13.492 12.881 -14.566 0.60 45.07 ? 190 ASN d C 1 ? ? +39095 ATOM O O A ASN X 20 179 ? 13.334 11.682 -14.781 0.40 44.75 ? 190 ASN d O 1 ? ? +39096 ATOM O O B ASN X 20 179 ? 13.082 11.725 -14.632 0.60 44.73 ? 190 ASN d O 1 ? ? +39097 ATOM C CB A ASN X 20 179 ? 12.689 13.180 -16.909 0.40 44.82 ? 190 ASN d CB 1 ? ? +39098 ATOM C CB B ASN X 20 179 ? 12.728 13.165 -16.929 0.60 44.77 ? 190 ASN d CB 1 ? ? +39099 ATOM C CG A ASN X 20 179 ? 11.222 12.795 -16.784 0.40 44.62 ? 190 ASN d CG 1 ? ? +39100 ATOM C CG B ASN X 20 179 ? 11.250 12.743 -16.895 0.60 44.55 ? 190 ASN d CG 1 ? ? +39101 ATOM O OD1 A ASN X 20 179 ? 10.524 13.231 -15.876 0.40 44.73 ? 190 ASN d OD1 1 ? ? +39102 ATOM O OD1 B ASN X 20 179 ? 10.509 13.009 -15.950 0.60 44.59 ? 190 ASN d OD1 1 ? ? +39103 ATOM N ND2 A ASN X 20 179 ? 10.730 11.998 -17.699 0.40 44.30 ? 190 ASN d ND2 1 ? ? +39104 ATOM N ND2 B ASN X 20 179 ? 10.811 12.080 -17.943 0.60 44.26 ? 190 ASN d ND2 1 ? ? +39105 ATOM N N . TRP X 20 180 ? 14.178 13.365 -13.524 1.00 45.45 ? 191 TRP d N 1 ? ? +39106 ATOM C CA . TRP X 20 180 ? 14.761 12.526 -12.486 1.00 45.50 ? 191 TRP d CA 1 ? ? +39107 ATOM C CB . TRP X 20 180 ? 15.634 13.470 -11.630 1.00 46.03 ? 191 TRP d CB 1 ? ? +39108 ATOM C CG . TRP X 20 180 ? 16.323 12.952 -10.411 1.00 46.23 ? 191 TRP d CG 1 ? ? +39109 ATOM C CD1 . TRP X 20 180 ? 16.261 13.503 -9.169 1.00 46.58 ? 191 TRP d CD1 1 ? ? +39110 ATOM N NE1 . TRP X 20 180 ? 17.029 12.787 -8.293 1.00 46.70 ? 191 TRP d NE1 1 ? ? +39111 ATOM C CE2 . TRP X 20 180 ? 17.652 11.773 -8.972 1.00 46.49 ? 191 TRP d CE2 1 ? ? +39112 ATOM C CZ2 . TRP X 20 180 ? 18.575 10.810 -8.523 1.00 46.51 ? 191 TRP d CZ2 1 ? ? +39113 ATOM C CH2 . TRP X 20 180 ? 19.026 9.898 -9.440 1.00 46.22 ? 191 TRP d CH2 1 ? ? +39114 ATOM C CZ3 . TRP X 20 180 ? 18.608 9.939 -10.778 1.00 45.98 ? 191 TRP d CZ3 1 ? ? +39115 ATOM C CE3 . TRP X 20 180 ? 17.709 10.902 -11.229 1.00 45.98 ? 191 TRP d CE3 1 ? ? +39116 ATOM C CD2 . TRP X 20 180 ? 17.228 11.849 -10.317 1.00 46.19 ? 191 TRP d CD2 1 ? ? +39117 ATOM C C . TRP X 20 180 ? 13.784 11.704 -11.644 1.00 45.37 ? 191 TRP d C 1 ? ? +39118 ATOM O O . TRP X 20 180 ? 14.183 10.705 -11.058 1.00 45.27 ? 191 TRP d O 1 ? ? +39119 ATOM N N A THR X 20 181 ? 12.506 12.104 -11.596 0.40 45.40 ? 192 THR d N 1 ? ? +39120 ATOM N N B THR X 20 181 ? 12.512 12.110 -11.587 0.60 45.40 ? 192 THR d N 1 ? ? +39121 ATOM C CA A THR X 20 181 ? 11.510 11.303 -10.894 0.40 45.27 ? 192 THR d CA 1 ? ? +39122 ATOM C CA B THR X 20 181 ? 11.522 11.304 -10.886 0.60 45.26 ? 192 THR d CA 1 ? ? +39123 ATOM C C A THR X 20 181 ? 11.305 9.965 -11.597 0.40 44.90 ? 192 THR d C 1 ? ? +39124 ATOM C C B THR X 20 181 ? 11.313 9.967 -11.589 0.60 44.90 ? 192 THR d C 1 ? ? +39125 ATOM O O A THR X 20 181 ? 10.894 8.995 -10.965 0.40 44.77 ? 192 THR d O 1 ? ? +39126 ATOM O O B THR X 20 181 ? 10.904 9.003 -10.946 0.60 44.76 ? 192 THR d O 1 ? ? +39127 ATOM C CB A THR X 20 181 ? 10.182 12.037 -10.735 0.40 45.40 ? 192 THR d CB 1 ? ? +39128 ATOM C CB B THR X 20 181 ? 10.194 12.033 -10.713 0.60 45.37 ? 192 THR d CB 1 ? ? +39129 ATOM O OG1 A THR X 20 181 ? 9.853 12.683 -11.959 0.40 45.39 ? 192 THR d OG1 1 ? ? +39130 ATOM O OG1 B THR X 20 181 ? 9.792 12.583 -11.959 0.60 45.32 ? 192 THR d OG1 1 ? ? +39131 ATOM C CG2 A THR X 20 181 ? 10.227 13.055 -9.613 0.40 45.79 ? 192 THR d CG2 1 ? ? +39132 ATOM C CG2 B THR X 20 181 ? 10.283 13.117 -9.678 0.60 45.76 ? 192 THR d CG2 1 ? ? +39133 ATOM N N . LEU X 20 182 ? 11.641 9.926 -12.891 1.00 44.80 ? 193 LEU d N 1 ? ? +39134 ATOM C CA . LEU X 20 182 ? 11.477 8.736 -13.712 1.00 44.48 ? 193 LEU d CA 1 ? ? +39135 ATOM C CB . LEU X 20 182 ? 11.338 9.128 -15.202 1.00 44.47 ? 193 LEU d CB 1 ? ? +39136 ATOM C CG . LEU X 20 182 ? 10.598 8.106 -16.080 1.00 44.17 ? 193 LEU d CG 1 ? ? +39137 ATOM C CD1 . LEU X 20 182 ? 9.105 8.026 -15.720 1.00 44.14 ? 193 LEU d CD1 1 ? ? +39138 ATOM C CD2 . LEU X 20 182 ? 10.727 8.427 -17.524 1.00 44.14 ? 193 LEU d CD2 1 ? ? +39139 ATOM C C . LEU X 20 182 ? 12.612 7.738 -13.582 1.00 44.32 ? 193 LEU d C 1 ? ? +39140 ATOM O O . LEU X 20 182 ? 12.525 6.645 -14.125 1.00 44.09 ? 193 LEU d O 1 ? ? +39141 ATOM N N . ASN X 20 183 ? 13.673 8.114 -12.861 1.00 44.62 ? 194 ASN d N 1 ? ? +39142 ATOM C CA . ASN X 20 183 ? 14.899 7.332 -12.828 1.00 44.47 ? 194 ASN d CA 1 ? ? +39143 ATOM C CB . ASN X 20 183 ? 16.057 8.239 -12.535 1.00 44.84 ? 194 ASN d CB 1 ? ? +39144 ATOM C CG . ASN X 20 183 ? 17.337 7.602 -12.874 1.00 44.81 ? 194 ASN d CG 1 ? ? +39145 ATOM O OD1 . ASN X 20 183 ? 17.775 6.643 -12.245 1.00 44.74 ? 194 ASN d OD1 1 ? ? +39146 ATOM N ND2 . ASN X 20 183 ? 17.942 8.119 -13.883 1.00 44.92 ? 194 ASN d ND2 1 ? ? +39147 ATOM C C . ASN X 20 183 ? 14.784 6.237 -11.779 1.00 44.37 ? 194 ASN d C 1 ? ? +39148 ATOM O O . ASN X 20 183 ? 14.482 6.521 -10.628 1.00 44.53 ? 194 ASN d O 1 ? ? +39149 ATOM N N . PRO X 20 184 ? 15.010 4.953 -12.135 1.00 44.20 ? 195 PRO d N 1 ? ? +39150 ATOM C CA . PRO X 20 184 ? 14.842 3.850 -11.189 1.00 44.18 ? 195 PRO d CA 1 ? ? +39151 ATOM C CB . PRO X 20 184 ? 15.183 2.605 -12.012 1.00 43.85 ? 195 PRO d CB 1 ? ? +39152 ATOM C CG . PRO X 20 184 ? 15.227 3.014 -13.383 1.00 43.72 ? 195 PRO d CG 1 ? ? +39153 ATOM C CD . PRO X 20 184 ? 15.414 4.487 -13.467 1.00 44.00 ? 195 PRO d CD 1 ? ? +39154 ATOM C C . PRO X 20 184 ? 15.780 3.930 -9.994 1.00 44.64 ? 195 PRO d C 1 ? ? +39155 ATOM O O . PRO X 20 184 ? 15.430 3.466 -8.909 1.00 44.71 ? 195 PRO d O 1 ? ? +39156 ATOM N N . PHE X 20 185 ? 16.974 4.500 -10.219 1.00 44.91 ? 196 PHE d N 1 ? ? +39157 ATOM C CA . PHE X 20 185 ? 17.942 4.674 -9.157 1.00 45.42 ? 196 PHE d CA 1 ? ? +39158 ATOM C CB . PHE X 20 185 ? 19.304 5.112 -9.744 1.00 45.74 ? 196 PHE d CB 1 ? ? +39159 ATOM C CG . PHE X 20 185 ? 19.954 3.967 -10.456 1.00 45.67 ? 196 PHE d CG 1 ? ? +39160 ATOM C CD1 . PHE X 20 185 ? 20.487 2.904 -9.741 1.00 45.86 ? 196 PHE d CD1 1 ? ? +39161 ATOM C CD2 . PHE X 20 185 ? 19.966 3.909 -11.839 1.00 45.60 ? 196 PHE d CD2 1 ? ? +39162 ATOM C CE1 . PHE X 20 185 ? 21.077 1.824 -10.395 1.00 45.78 ? 196 PHE d CE1 1 ? ? +39163 ATOM C CE2 . PHE X 20 185 ? 20.539 2.818 -12.497 1.00 45.56 ? 196 PHE d CE2 1 ? ? +39164 ATOM C CZ . PHE X 20 185 ? 21.097 1.783 -11.769 1.00 45.62 ? 196 PHE d CZ 1 ? ? +39165 ATOM C C . PHE X 20 185 ? 17.450 5.667 -8.114 1.00 45.72 ? 196 PHE d C 1 ? ? +39166 ATOM O O . PHE X 20 185 ? 17.666 5.483 -6.921 1.00 45.94 ? 196 PHE d O 1 ? ? +39167 ATOM N N . HIS X 20 186 ? 16.808 6.734 -8.580 1.00 45.82 ? 197 HIS d N 1 ? ? +39168 ATOM C CA . HIS X 20 186 ? 16.105 7.643 -7.694 1.00 46.11 ? 197 HIS d CA 1 ? ? +39169 ATOM C CB . HIS X 20 186 ? 15.615 8.866 -8.485 1.00 46.17 ? 197 HIS d CB 1 ? ? +39170 ATOM C CG . HIS X 20 186 ? 15.010 9.886 -7.575 1.00 46.51 ? 197 HIS d CG 1 ? ? +39171 ATOM N ND1 . HIS X 20 186 ? 15.699 10.331 -6.523 1.00 46.92 ? 197 HIS d ND1 1 ? ? +39172 ATOM C CE1 . HIS X 20 186 ? 14.887 11.127 -5.864 1.00 47.08 ? 197 HIS d CE1 1 ? ? +39173 ATOM N NE2 . HIS X 20 186 ? 13.716 11.215 -6.441 1.00 46.84 ? 197 HIS d NE2 1 ? ? +39174 ATOM C CD2 . HIS X 20 186 ? 13.760 10.400 -7.522 1.00 46.53 ? 197 HIS d CD2 1 ? ? +39175 ATOM C C . HIS X 20 186 ? 14.961 6.941 -6.954 1.00 46.02 ? 197 HIS d C 1 ? ? +39176 ATOM O O . HIS X 20 186 ? 14.803 7.094 -5.744 1.00 46.27 ? 197 HIS d O 1 ? ? +39177 ATOM N N . MET X 20 187 ? 14.180 6.130 -7.669 1.00 45.73 ? 198 MET d N 1 ? ? +39178 ATOM C CA . MET X 20 187 ? 13.050 5.448 -7.056 1.00 45.76 ? 198 MET d CA 1 ? ? +39179 ATOM C CB . MET X 20 187 ? 12.308 4.632 -8.119 1.00 45.36 ? 198 MET d CB 1 ? ? +39180 ATOM C CG . MET X 20 187 ? 11.571 5.468 -9.131 1.00 45.31 ? 198 MET d CG 1 ? ? +39181 ATOM S SD . MET X 20 187 ? 11.208 4.521 -10.617 1.00 44.95 ? 198 MET d SD 1 ? ? +39182 ATOM C CE . MET X 20 187 ? 10.249 5.672 -11.532 1.00 45.06 ? 198 MET d CE 1 ? ? +39183 ATOM C C . MET X 20 187 ? 13.514 4.547 -5.910 1.00 46.02 ? 198 MET d C 1 ? ? +39184 ATOM O O . MET X 20 187 ? 12.899 4.496 -4.844 1.00 46.10 ? 198 MET d O 1 ? ? +39185 ATOM N N . MET X 20 188 ? 14.638 3.851 -6.134 1.00 46.18 ? 199 MET d N 1 ? ? +39186 ATOM C CA . MET X 20 188 ? 15.238 2.995 -5.124 1.00 46.39 ? 199 MET d CA 1 ? ? +39187 ATOM C CB . MET X 20 188 ? 16.430 2.240 -5.742 1.00 46.78 ? 199 MET d CB 1 ? ? +39188 ATOM C CG . MET X 20 188 ? 15.986 1.093 -6.648 1.00 46.86 ? 199 MET d CG 1 ? ? +39189 ATOM S SD . MET X 20 188 ? 17.320 -0.079 -7.057 1.00 47.64 ? 199 MET d SD 1 ? ? +39190 ATOM C CE . MET X 20 188 ? 18.241 0.860 -8.204 1.00 47.60 ? 199 MET d CE 1 ? ? +39191 ATOM C C . MET X 20 188 ? 15.663 3.812 -3.905 1.00 46.41 ? 199 MET d C 1 ? ? +39192 ATOM O O . MET X 20 188 ? 15.488 3.385 -2.757 1.00 46.56 ? 199 MET d O 1 ? ? +39193 ATOM N N . GLY X 20 189 ? 16.206 5.005 -4.162 1.00 46.24 ? 200 GLY d N 1 ? ? +39194 ATOM C CA . GLY X 20 189 ? 16.589 5.902 -3.085 1.00 46.43 ? 200 GLY d CA 1 ? ? +39195 ATOM C C . GLY X 20 189 ? 15.393 6.373 -2.266 1.00 46.35 ? 200 GLY d C 1 ? ? +39196 ATOM O O . GLY X 20 189 ? 15.458 6.409 -1.042 1.00 46.58 ? 200 GLY d O 1 ? ? +39197 ATOM N N . VAL X 20 190 ? 14.306 6.731 -2.965 1.00 45.91 ? 201 VAL d N 1 ? ? +39198 ATOM C CA . VAL X 20 190 ? 13.079 7.125 -2.305 1.00 45.87 ? 201 VAL d CA 1 ? ? +39199 ATOM C CB . VAL X 20 190 ? 11.975 7.521 -3.311 1.00 45.71 ? 201 VAL d CB 1 ? ? +39200 ATOM C CG1 . VAL X 20 190 ? 10.623 7.678 -2.601 1.00 45.84 ? 201 VAL d CG1 1 ? ? +39201 ATOM C CG2 . VAL X 20 190 ? 12.347 8.778 -4.078 1.00 45.78 ? 201 VAL d CG2 1 ? ? +39202 ATOM C C . VAL X 20 190 ? 12.612 5.995 -1.395 1.00 45.68 ? 201 VAL d C 1 ? ? +39203 ATOM O O . VAL X 20 190 ? 12.269 6.238 -0.239 1.00 45.96 ? 201 VAL d O 1 ? ? +39204 ATOM N N A ALA X 20 191 ? 12.635 4.766 -1.927 0.40 45.32 ? 202 ALA d N 1 ? ? +39205 ATOM N N B ALA X 20 191 ? 12.576 4.768 -1.930 0.60 45.25 ? 202 ALA d N 1 ? ? +39206 ATOM C CA A ALA X 20 191 ? 12.207 3.593 -1.184 0.40 45.26 ? 202 ALA d CA 1 ? ? +39207 ATOM C CA B ALA X 20 191 ? 12.133 3.608 -1.171 0.60 45.17 ? 202 ALA d CA 1 ? ? +39208 ATOM C C A ALA X 20 191 ? 13.051 3.395 0.071 0.40 45.58 ? 202 ALA d C 1 ? ? +39209 ATOM C C B ALA X 20 191 ? 12.983 3.354 0.070 0.60 45.44 ? 202 ALA d C 1 ? ? +39210 ATOM O O A ALA X 20 191 ? 12.529 3.029 1.121 0.40 45.76 ? 202 ALA d O 1 ? ? +39211 ATOM O O B ALA X 20 191 ? 12.462 2.918 1.094 0.60 45.60 ? 202 ALA d O 1 ? ? +39212 ATOM C CB A ALA X 20 191 ? 12.287 2.360 -2.060 0.40 44.89 ? 202 ALA d CB 1 ? ? +39213 ATOM C CB B ALA X 20 191 ? 12.155 2.376 -2.043 0.60 44.80 ? 202 ALA d CB 1 ? ? +39214 ATOM N N A GLY X 20 192 ? 14.361 3.643 -0.053 0.40 45.66 ? 203 GLY d N 1 ? ? +39215 ATOM N N B GLY X 20 192 ? 14.299 3.596 -0.047 0.60 45.48 ? 203 GLY d N 1 ? ? +39216 ATOM C CA A GLY X 20 192 ? 15.273 3.487 1.067 0.40 45.97 ? 203 GLY d CA 1 ? ? +39217 ATOM C CA B GLY X 20 192 ? 15.213 3.444 1.071 0.60 45.76 ? 203 GLY d CA 1 ? ? +39218 ATOM C C A GLY X 20 192 ? 15.043 4.515 2.172 0.40 46.38 ? 203 GLY d C 1 ? ? +39219 ATOM C C B GLY X 20 192 ? 14.994 4.489 2.159 0.60 46.14 ? 203 GLY d C 1 ? ? +39220 ATOM O O A GLY X 20 192 ? 15.140 4.193 3.354 0.40 46.67 ? 203 GLY d O 1 ? ? +39221 ATOM O O B GLY X 20 192 ? 14.975 4.152 3.340 0.60 46.41 ? 203 GLY d O 1 ? ? +39222 ATOM N N A VAL X 20 193 ? 14.752 5.755 1.769 0.40 46.44 ? 204 VAL d N 1 ? ? +39223 ATOM N N B VAL X 20 193 ? 14.842 5.752 1.747 0.60 46.17 ? 204 VAL d N 1 ? ? +39224 ATOM C CA A VAL X 20 193 ? 14.575 6.849 2.707 0.40 46.87 ? 204 VAL d CA 1 ? ? +39225 ATOM C CA B VAL X 20 193 ? 14.642 6.850 2.680 0.60 46.59 ? 204 VAL d CA 1 ? ? +39226 ATOM C C A VAL X 20 193 ? 13.219 6.744 3.403 0.40 46.95 ? 204 VAL d C 1 ? ? +39227 ATOM C C B VAL X 20 193 ? 13.284 6.754 3.374 0.60 46.66 ? 204 VAL d C 1 ? ? +39228 ATOM O O A VAL X 20 193 ? 13.141 6.831 4.625 0.40 47.29 ? 204 VAL d O 1 ? ? +39229 ATOM O O B VAL X 20 193 ? 13.221 6.795 4.598 0.60 46.99 ? 204 VAL d O 1 ? ? +39230 ATOM C CB A VAL X 20 193 ? 14.771 8.203 1.987 0.40 46.94 ? 204 VAL d CB 1 ? ? +39231 ATOM C CB B VAL X 20 193 ? 14.844 8.217 1.983 0.60 46.67 ? 204 VAL d CB 1 ? ? +39232 ATOM C CG1 A VAL X 20 193 ? 14.275 9.366 2.834 0.40 47.35 ? 204 VAL d CG1 1 ? ? +39233 ATOM C CG1 B VAL X 20 193 ? 14.318 9.365 2.833 0.60 47.08 ? 204 VAL d CG1 1 ? ? +39234 ATOM C CG2 A VAL X 20 193 ? 16.230 8.406 1.590 0.40 47.04 ? 204 VAL d CG2 1 ? ? +39235 ATOM C CG2 B VAL X 20 193 ? 16.313 8.440 1.631 0.60 46.78 ? 204 VAL d CG2 1 ? ? +39236 ATOM N N A LEU X 20 194 ? 12.155 6.538 2.619 0.40 46.66 ? 205 LEU d N 1 ? ? +39237 ATOM N N B LEU X 20 194 ? 12.199 6.623 2.600 0.60 46.36 ? 205 LEU d N 1 ? ? +39238 ATOM C CA A LEU X 20 194 ? 10.818 6.416 3.176 0.40 46.78 ? 205 LEU d CA 1 ? ? +39239 ATOM C CA B LEU X 20 194 ? 10.878 6.468 3.192 0.60 46.46 ? 205 LEU d CA 1 ? ? +39240 ATOM C C A LEU X 20 194 ? 10.707 5.130 3.989 0.40 46.83 ? 205 LEU d C 1 ? ? +39241 ATOM C C B LEU X 20 194 ? 10.819 5.175 3.999 0.60 46.52 ? 205 LEU d C 1 ? ? +39242 ATOM O O A LEU X 20 194 ? 10.103 5.118 5.061 0.40 47.16 ? 205 LEU d O 1 ? ? +39243 ATOM O O B LEU X 20 194 ? 10.240 5.149 5.086 0.60 46.84 ? 205 LEU d O 1 ? ? +39244 ATOM C CB A LEU X 20 194 ? 9.765 6.438 2.060 0.40 46.45 ? 205 LEU d CB 1 ? ? +39245 ATOM C CB B LEU X 20 194 ? 9.765 6.462 2.130 0.60 46.14 ? 205 LEU d CB 1 ? ? +39246 ATOM C CG A LEU X 20 194 ? 9.668 7.732 1.267 0.40 46.46 ? 205 LEU d CG 1 ? ? +39247 ATOM C CG B LEU X 20 194 ? 9.647 7.703 1.270 0.60 46.13 ? 205 LEU d CG 1 ? ? +39248 ATOM C CD1 A LEU X 20 194 ? 8.480 7.714 0.354 0.40 46.24 ? 205 LEU d CD1 1 ? ? +39249 ATOM C CD1 B LEU X 20 194 ? 8.471 7.604 0.358 0.60 45.89 ? 205 LEU d CD1 1 ? ? +39250 ATOM C CD2 A LEU X 20 194 ? 9.593 8.927 2.176 0.40 46.92 ? 205 LEU d CD2 1 ? ? +39251 ATOM C CD2 B LEU X 20 194 ? 9.536 8.948 2.096 0.60 46.57 ? 205 LEU d CD2 1 ? ? +39252 ATOM N N A GLY X 20 195 ? 11.315 4.055 3.471 0.40 46.59 ? 206 GLY d N 1 ? ? +39253 ATOM N N B GLY X 20 195 ? 11.433 4.112 3.459 0.60 46.25 ? 206 GLY d N 1 ? ? +39254 ATOM C CA A GLY X 20 195 ? 11.381 2.778 4.166 0.40 46.64 ? 206 GLY d CA 1 ? ? +39255 ATOM C CA B GLY X 20 195 ? 11.471 2.812 4.114 0.60 46.28 ? 206 GLY d CA 1 ? ? +39256 ATOM C C A GLY X 20 195 ? 12.159 2.850 5.476 0.40 47.09 ? 206 GLY d C 1 ? ? +39257 ATOM C C B GLY X 20 195 ? 12.224 2.816 5.441 0.60 46.71 ? 206 GLY d C 1 ? ? +39258 ATOM O O A GLY X 20 195 ? 11.812 2.183 6.449 0.40 47.29 ? 206 GLY d O 1 ? ? +39259 ATOM O O B GLY X 20 195 ? 11.881 2.065 6.354 0.60 46.89 ? 206 GLY d O 1 ? ? +39260 ATOM N N A GLY X 20 196 ? 13.213 3.671 5.488 0.40 47.28 ? 207 GLY d N 1 ? ? +39261 ATOM N N B GLY X 20 196 ? 13.254 3.665 5.526 0.60 46.93 ? 207 GLY d N 1 ? ? +39262 ATOM C CA A GLY X 20 196 ? 13.998 3.891 6.690 0.40 47.77 ? 207 GLY d CA 1 ? ? +39263 ATOM C CA B GLY X 20 196 ? 14.000 3.855 6.757 0.60 47.42 ? 207 GLY d CA 1 ? ? +39264 ATOM C C A GLY X 20 196 ? 13.228 4.664 7.756 0.40 48.19 ? 207 GLY d C 1 ? ? +39265 ATOM C C B GLY X 20 196 ? 13.208 4.649 7.791 0.60 47.81 ? 207 GLY d C 1 ? ? +39266 ATOM O O A GLY X 20 196 ? 13.295 4.337 8.939 0.40 48.51 ? 207 GLY d O 1 ? ? +39267 ATOM O O B GLY X 20 196 ? 13.187 4.299 8.970 0.60 48.13 ? 207 GLY d O 1 ? ? +39268 ATOM N N A ALA X 20 197 ? 12.513 5.705 7.321 0.40 48.24 ? 208 ALA d N 1 ? ? +39269 ATOM N N B ALA X 20 197 ? 12.565 5.726 7.330 0.60 47.85 ? 208 ALA d N 1 ? ? +39270 ATOM C CA A ALA X 20 197 ? 11.655 6.472 8.210 0.40 48.67 ? 208 ALA d CA 1 ? ? +39271 ATOM C CA B ALA X 20 197 ? 11.675 6.511 8.174 0.60 48.26 ? 208 ALA d CA 1 ? ? +39272 ATOM C C A ALA X 20 197 ? 10.555 5.584 8.791 0.40 48.74 ? 208 ALA d C 1 ? ? +39273 ATOM C C B ALA X 20 197 ? 10.544 5.649 8.733 0.60 48.33 ? 208 ALA d C 1 ? ? +39274 ATOM O O A ALA X 20 197 ? 10.241 5.682 9.976 0.40 49.15 ? 208 ALA d O 1 ? ? +39275 ATOM O O B ALA X 20 197 ? 10.157 5.829 9.884 0.60 48.74 ? 208 ALA d O 1 ? ? +39276 ATOM C CB A ALA X 20 197 ? 11.058 7.658 7.471 0.40 48.60 ? 208 ALA d CB 1 ? ? +39277 ATOM C CB B ALA X 20 197 ? 11.112 7.692 7.403 0.60 48.19 ? 208 ALA d CB 1 ? ? +39278 ATOM N N A LEU X 20 198 ? 9.997 4.707 7.946 0.40 48.41 ? 209 LEU d N 1 ? ? +39279 ATOM N N B LEU X 20 198 ? 10.050 4.707 7.915 0.60 47.99 ? 209 LEU d N 1 ? ? +39280 ATOM C CA A LEU X 20 198 ? 8.992 3.741 8.362 0.40 48.47 ? 209 LEU d CA 1 ? ? +39281 ATOM C CA B LEU X 20 198 ? 9.060 3.726 8.331 0.60 48.04 ? 209 LEU d CA 1 ? ? +39282 ATOM C C A LEU X 20 198 ? 9.522 2.825 9.463 0.40 48.76 ? 209 LEU d C 1 ? ? +39283 ATOM C C B LEU X 20 198 ? 9.574 2.814 9.443 0.60 48.36 ? 209 LEU d C 1 ? ? +39284 ATOM O O A LEU X 20 198 ? 8.875 2.644 10.493 0.40 49.10 ? 209 LEU d O 1 ? ? +39285 ATOM O O B LEU X 20 198 ? 8.922 2.668 10.476 0.60 48.70 ? 209 LEU d O 1 ? ? +39286 ATOM C CB A LEU X 20 198 ? 8.539 2.917 7.141 0.40 48.00 ? 209 LEU d CB 1 ? ? +39287 ATOM C CB B LEU X 20 198 ? 8.636 2.883 7.116 0.60 47.57 ? 209 LEU d CB 1 ? ? +39288 ATOM C CG A LEU X 20 198 ? 7.389 1.927 7.382 0.40 48.02 ? 209 LEU d CG 1 ? ? +39289 ATOM C CG B LEU X 20 198 ? 7.491 1.892 7.356 0.60 47.58 ? 209 LEU d CG 1 ? ? +39290 ATOM C CD1 A LEU X 20 198 ? 6.696 1.554 6.081 0.40 47.59 ? 209 LEU d CD1 1 ? ? +39291 ATOM C CD1 B LEU X 20 198 ? 6.782 1.534 6.046 0.60 47.17 ? 209 LEU d CD1 1 ? ? +39292 ATOM C CD2 A LEU X 20 198 ? 7.872 0.659 8.060 0.40 48.11 ? 209 LEU d CD2 1 ? ? +39293 ATOM C CD2 B LEU X 20 198 ? 7.968 0.601 8.017 0.60 47.66 ? 209 LEU d CD2 1 ? ? +39294 ATOM N N A LEU X 20 199 ? 10.707 2.249 9.235 0.40 48.69 ? 210 LEU d N 1 ? ? +39295 ATOM N N B LEU X 20 199 ? 10.734 2.186 9.211 0.60 48.28 ? 210 LEU d N 1 ? ? +39296 ATOM C CA A LEU X 20 199 ? 11.324 1.351 10.200 0.40 48.96 ? 210 LEU d CA 1 ? ? +39297 ATOM C CA B LEU X 20 199 ? 11.348 1.290 10.184 0.60 48.56 ? 210 LEU d CA 1 ? ? +39298 ATOM C C A LEU X 20 199 ? 11.631 2.070 11.510 0.40 49.50 ? 210 LEU d C 1 ? ? +39299 ATOM C C B LEU X 20 199 ? 11.677 1.989 11.499 0.60 49.11 ? 210 LEU d C 1 ? ? +39300 ATOM O O A LEU X 20 199 ? 11.410 1.536 12.596 0.40 49.82 ? 210 LEU d O 1 ? ? +39301 ATOM O O B LEU X 20 199 ? 11.514 1.421 12.579 0.60 49.43 ? 210 LEU d O 1 ? ? +39302 ATOM C CB A LEU X 20 199 ? 12.611 0.785 9.612 0.40 48.78 ? 210 LEU d CB 1 ? ? +39303 ATOM C CB B LEU X 20 199 ? 12.632 0.715 9.613 0.60 48.39 ? 210 LEU d CB 1 ? ? +39304 ATOM C CG A LEU X 20 199 ? 12.438 -0.331 8.604 0.40 48.33 ? 210 LEU d CG 1 ? ? +39305 ATOM C CG B LEU X 20 199 ? 12.472 -0.424 8.638 0.60 47.96 ? 210 LEU d CG 1 ? ? +39306 ATOM C CD1 A LEU X 20 199 ? 13.761 -0.616 7.882 0.40 48.17 ? 210 LEU d CD1 1 ? ? +39307 ATOM C CD1 B LEU X 20 199 ? 13.832 -0.795 8.017 0.60 47.82 ? 210 LEU d CD1 1 ? ? +39308 ATOM C CD2 A LEU X 20 199 ? 11.915 -1.585 9.275 0.40 48.44 ? 210 LEU d CD2 1 ? ? +39309 ATOM C CD2 B LEU X 20 199 ? 11.865 -1.628 9.309 0.60 48.04 ? 210 LEU d CD2 1 ? ? +39310 ATOM N N A CYS X 20 200 ? 12.164 3.286 11.382 0.40 49.61 ? 211 CYS d N 1 ? ? +39311 ATOM N N B CYS X 20 200 ? 12.173 3.221 11.381 0.60 49.23 ? 211 CYS d N 1 ? ? +39312 ATOM C CA A CYS X 20 200 ? 12.447 4.130 12.530 0.40 50.14 ? 211 CYS d CA 1 ? ? +39313 ATOM C CA B CYS X 20 200 ? 12.430 4.060 12.537 0.60 49.78 ? 211 CYS d CA 1 ? ? +39314 ATOM C C A CYS X 20 200 ? 11.192 4.258 13.391 0.40 50.38 ? 211 CYS d C 1 ? ? +39315 ATOM C C B CYS X 20 200 ? 11.161 4.165 13.381 0.60 50.00 ? 211 CYS d C 1 ? ? +39316 ATOM O O A CYS X 20 200 ? 11.209 3.951 14.579 0.40 50.78 ? 211 CYS d O 1 ? ? +39317 ATOM O O B CYS X 20 200 ? 11.147 3.769 14.540 0.60 50.38 ? 211 CYS d O 1 ? ? +39318 ATOM C CB A CYS X 20 200 ? 12.959 5.489 12.061 0.40 50.19 ? 211 CYS d CB 1 ? ? +39319 ATOM C CB B CYS X 20 200 ? 12.939 5.424 12.082 0.60 49.83 ? 211 CYS d CB 1 ? ? +39320 ATOM S SG A CYS X 20 200 ? 13.634 6.524 13.375 0.40 50.89 ? 211 CYS d SG 1 ? ? +39321 ATOM S SG B CYS X 20 200 ? 13.510 6.486 13.416 0.60 50.55 ? 211 CYS d SG 1 ? ? +39322 ATOM N N A ALA X 20 201 ? 10.094 4.692 12.767 0.40 50.15 ? 212 ALA d N 1 ? ? +39323 ATOM N N B ALA X 20 201 ? 10.082 4.656 12.768 0.60 49.79 ? 212 ALA d N 1 ? ? +39324 ATOM C CA A ALA X 20 201 ? 8.835 4.896 13.464 0.40 50.40 ? 212 ALA d CA 1 ? ? +39325 ATOM C CA B ALA X 20 201 ? 8.816 4.842 13.461 0.60 50.04 ? 212 ALA d CA 1 ? ? +39326 ATOM C C A ALA X 20 201 ? 8.289 3.609 14.079 0.40 50.45 ? 212 ALA d C 1 ? ? +39327 ATOM C C B ALA X 20 201 ? 8.267 3.537 14.035 0.60 50.10 ? 212 ALA d C 1 ? ? +39328 ATOM O O A ALA X 20 201 ? 7.895 3.590 15.239 0.40 50.89 ? 212 ALA d O 1 ? ? +39329 ATOM O O B ALA X 20 201 ? 7.876 3.481 15.195 0.60 50.51 ? 212 ALA d O 1 ? ? +39330 ATOM C CB A ALA X 20 201 ? 7.815 5.492 12.512 0.40 50.10 ? 212 ALA d CB 1 ? ? +39331 ATOM C CB B ALA X 20 201 ? 7.807 5.468 12.520 0.60 49.76 ? 212 ALA d CB 1 ? ? +39332 ATOM N N A ILE X 20 202 ? 8.285 2.527 13.297 0.40 50.09 ? 213 ILE d N 1 ? ? +39333 ATOM N N B ILE X 20 202 ? 8.270 2.476 13.224 0.60 49.73 ? 213 ILE d N 1 ? ? +39334 ATOM C CA A ILE X 20 202 ? 7.624 1.299 13.707 0.40 50.16 ? 213 ILE d CA 1 ? ? +39335 ATOM C CA B ILE X 20 202 ? 7.648 1.224 13.619 0.60 49.81 ? 213 ILE d CA 1 ? ? +39336 ATOM C C A ILE X 20 202 ? 8.390 0.540 14.788 0.40 50.55 ? 213 ILE d C 1 ? ? +39337 ATOM C C B ILE X 20 202 ? 8.407 0.501 14.730 0.60 50.25 ? 213 ILE d C 1 ? ? +39338 ATOM O O A ILE X 20 202 ? 7.774 -0.079 15.655 0.40 50.85 ? 213 ILE d O 1 ? ? +39339 ATOM O O B ILE X 20 202 ? 7.773 -0.076 15.611 0.60 50.55 ? 213 ILE d O 1 ? ? +39340 ATOM C CB A ILE X 20 202 ? 7.340 0.420 12.464 0.40 49.64 ? 213 ILE d CB 1 ? ? +39341 ATOM C CB B ILE X 20 202 ? 7.419 0.324 12.372 0.60 49.30 ? 213 ILE d CB 1 ? ? +39342 ATOM C CG1 A ILE X 20 202 ? 6.150 -0.515 12.729 0.40 49.73 ? 213 ILE d CG1 1 ? ? +39343 ATOM C CG1 B ILE X 20 202 ? 6.147 -0.530 12.549 0.60 49.36 ? 213 ILE d CG1 1 ? ? +39344 ATOM C CG2 A ILE X 20 202 ? 8.566 -0.345 12.001 0.40 49.40 ? 213 ILE d CG2 1 ? ? +39345 ATOM C CG2 B ILE X 20 202 ? 8.621 -0.536 12.034 0.60 49.09 ? 213 ILE d CG2 1 ? ? +39346 ATOM C CD1 A ILE X 20 202 ? 5.663 -1.233 11.527 0.40 49.25 ? 213 ILE d CD1 1 ? ? +39347 ATOM C CD1 B ILE X 20 202 ? 5.771 -1.325 11.362 0.60 48.89 ? 213 ILE d CD1 1 ? ? +39348 ATOM N N A HIS X 20 203 ? 9.730 0.600 14.745 0.40 50.59 ? 214 HIS d N 1 ? ? +39349 ATOM N N B HIS X 20 203 ? 9.754 0.551 14.698 0.60 50.32 ? 214 HIS d N 1 ? ? +39350 ATOM C CA A HIS X 20 203 ? 10.554 -0.025 15.770 0.40 50.98 ? 214 HIS d CA 1 ? ? +39351 ATOM C CA B HIS X 20 203 ? 10.581 -0.080 15.719 0.60 50.75 ? 214 HIS d CA 1 ? ? +39352 ATOM C C A HIS X 20 203 ? 10.411 0.719 17.095 0.40 51.49 ? 214 HIS d C 1 ? ? +39353 ATOM C C B HIS X 20 203 ? 10.455 0.657 17.047 0.60 51.22 ? 214 HIS d C 1 ? ? +39354 ATOM O O A HIS X 20 203 ? 10.256 0.103 18.147 0.40 51.85 ? 214 HIS d O 1 ? ? +39355 ATOM O O B HIS X 20 203 ? 10.274 0.032 18.086 0.60 51.57 ? 214 HIS d O 1 ? ? +39356 ATOM C CB A HIS X 20 203 ? 12.039 -0.082 15.346 0.40 50.97 ? 214 HIS d CB 1 ? ? +39357 ATOM C CB B HIS X 20 203 ? 12.076 -0.167 15.302 0.60 50.79 ? 214 HIS d CB 1 ? ? +39358 ATOM C CG A HIS X 20 203 ? 12.952 -0.678 16.380 0.40 51.53 ? 214 HIS d CG 1 ? ? +39359 ATOM C CG B HIS X 20 203 ? 12.969 -0.734 16.369 0.60 51.44 ? 214 HIS d CG 1 ? ? +39360 ATOM N ND1 A HIS X 20 203 ? 12.771 -1.966 16.845 0.40 51.70 ? 214 HIS d ND1 1 ? ? +39361 ATOM N ND1 B HIS X 20 203 ? 12.789 -2.012 16.851 0.60 51.66 ? 214 HIS d ND1 1 ? ? +39362 ATOM C CD2 A HIS X 20 203 ? 14.018 -0.137 17.018 0.40 51.99 ? 214 HIS d CD2 1 ? ? +39363 ATOM C CD2 B HIS X 20 203 ? 14.005 -0.168 17.033 0.60 51.97 ? 214 HIS d CD2 1 ? ? +39364 ATOM C CE1 A HIS X 20 203 ? 13.727 -2.173 17.744 0.40 52.18 ? 214 HIS d CE1 1 ? ? +39365 ATOM C CE1 B HIS X 20 203 ? 13.712 -2.193 17.789 0.60 52.19 ? 214 HIS d CE1 1 ? ? +39366 ATOM N NE2 A HIS X 20 203 ? 14.504 -1.095 17.879 0.40 52.48 ? 214 HIS d NE2 1 ? ? +39367 ATOM N NE2 B HIS X 20 203 ? 14.476 -1.107 17.931 0.60 52.57 ? 214 HIS d NE2 1 ? ? +39368 ATOM N N A GLY X 20 204 ? 10.474 2.052 17.026 0.40 51.52 ? 215 GLY d N 1 ? ? +39369 ATOM N N B GLY X 20 204 ? 10.564 1.988 16.991 0.60 51.26 ? 215 GLY d N 1 ? ? +39370 ATOM C CA A GLY X 20 204 ? 10.359 2.892 18.204 0.40 52.07 ? 215 GLY d CA 1 ? ? +39371 ATOM C CA B GLY X 20 204 ? 10.396 2.834 18.159 0.60 51.80 ? 215 GLY d CA 1 ? ? +39372 ATOM C C A GLY X 20 204 ? 9.002 2.752 18.885 0.40 52.30 ? 215 GLY d C 1 ? ? +39373 ATOM C C B GLY X 20 204 ? 9.055 2.628 18.851 0.60 52.02 ? 215 GLY d C 1 ? ? +39374 ATOM O O A GLY X 20 204 ? 8.916 2.728 20.110 0.40 52.80 ? 215 GLY d O 1 ? ? +39375 ATOM O O B GLY X 20 204 ? 9.009 2.441 20.064 0.60 52.49 ? 215 GLY d O 1 ? ? +39376 ATOM N N A ALA X 20 205 ? 7.947 2.673 18.067 0.40 51.96 ? 216 ALA d N 1 ? ? +39377 ATOM N N B ALA X 20 205 ? 7.976 2.666 18.054 0.60 51.70 ? 216 ALA d N 1 ? ? +39378 ATOM C CA A ALA X 20 205 ? 6.592 2.541 18.568 0.40 52.18 ? 216 ALA d CA 1 ? ? +39379 ATOM C CA B ALA X 20 205 ? 6.621 2.503 18.555 0.60 51.90 ? 216 ALA d CA 1 ? ? +39380 ATOM C C A ALA X 20 205 ? 6.390 1.153 19.165 0.40 52.35 ? 216 ALA d C 1 ? ? +39381 ATOM C C B ALA X 20 205 ? 6.402 1.108 19.131 0.60 52.05 ? 216 ALA d C 1 ? ? +39382 ATOM O O A ALA X 20 205 ? 5.751 1.018 20.207 0.40 52.82 ? 216 ALA d O 1 ? ? +39383 ATOM O O B ALA X 20 205 ? 5.737 0.967 20.156 0.60 52.53 ? 216 ALA d O 1 ? ? +39384 ATOM C CB A ALA X 20 205 ? 5.591 2.800 17.458 0.40 51.78 ? 216 ALA d CB 1 ? ? +39385 ATOM C CB B ALA X 20 205 ? 5.619 2.779 17.451 0.60 51.50 ? 216 ALA d CB 1 ? ? +39386 ATOM N N A THR X 20 206 ? 6.959 0.133 18.508 0.40 52.01 ? 217 THR d N 1 ? ? +39387 ATOM N N B THR X 20 206 ? 6.979 0.089 18.477 0.60 51.71 ? 217 THR d N 1 ? ? +39388 ATOM C CA A THR X 20 206 ? 6.808 -1.243 18.953 0.40 52.15 ? 217 THR d CA 1 ? ? +39389 ATOM C CA B THR X 20 206 ? 6.837 -1.283 18.935 0.60 51.86 ? 217 THR d CA 1 ? ? +39390 ATOM C C A THR X 20 206 ? 7.456 -1.454 20.316 0.40 52.82 ? 217 THR d C 1 ? ? +39391 ATOM C C B THR X 20 206 ? 7.447 -1.455 20.321 0.60 52.55 ? 217 THR d C 1 ? ? +39392 ATOM O O A THR X 20 206 ? 6.840 -2.019 21.219 0.40 53.24 ? 217 THR d O 1 ? ? +39393 ATOM O O B THR X 20 206 ? 6.786 -1.960 21.228 0.60 52.99 ? 217 THR d O 1 ? ? +39394 ATOM C CB A THR X 20 206 ? 7.398 -2.231 17.951 0.40 51.63 ? 217 THR d CB 1 ? ? +39395 ATOM C CB B THR X 20 206 ? 7.471 -2.281 17.976 0.60 51.37 ? 217 THR d CB 1 ? ? +39396 ATOM O OG1 A THR X 20 206 ? 6.732 -2.118 16.703 0.40 51.10 ? 217 THR d OG1 1 ? ? +39397 ATOM O OG1 B THR X 20 206 ? 6.965 -2.102 16.661 0.60 50.79 ? 217 THR d OG1 1 ? ? +39398 ATOM C CG2 A THR X 20 206 ? 7.288 -3.661 18.433 0.40 51.79 ? 217 THR d CG2 1 ? ? +39399 ATOM C CG2 B THR X 20 206 ? 7.215 -3.709 18.395 0.60 51.50 ? 217 THR d CG2 1 ? ? +39400 ATOM N N A VAL X 20 207 ? 8.709 -1.003 20.449 0.40 52.99 ? 218 VAL d N 1 ? ? +39401 ATOM N N B VAL X 20 207 ? 8.709 -1.028 20.467 0.60 52.72 ? 218 VAL d N 1 ? ? +39402 ATOM C CA A VAL X 20 207 ? 9.424 -1.104 21.708 0.40 53.63 ? 218 VAL d CA 1 ? ? +39403 ATOM C CA B VAL X 20 207 ? 9.407 -1.097 21.740 0.60 53.38 ? 218 VAL d CA 1 ? ? +39404 ATOM C C A VAL X 20 207 ? 8.613 -0.432 22.811 0.40 54.28 ? 218 VAL d C 1 ? ? +39405 ATOM C C B VAL X 20 207 ? 8.555 -0.422 22.812 0.60 54.01 ? 218 VAL d C 1 ? ? +39406 ATOM O O A VAL X 20 207 ? 8.396 -1.014 23.869 0.40 54.78 ? 218 VAL d O 1 ? ? +39407 ATOM O O B VAL X 20 207 ? 8.196 -1.043 23.807 0.60 54.49 ? 218 VAL d O 1 ? ? +39408 ATOM C CB A VAL X 20 207 ? 10.850 -0.502 21.605 0.40 53.64 ? 218 VAL d CB 1 ? ? +39409 ATOM C CB B VAL X 20 207 ? 10.839 -0.477 21.651 0.60 53.42 ? 218 VAL d CB 1 ? ? +39410 ATOM C CG1 A VAL X 20 207 ? 11.469 -0.285 22.984 0.40 54.32 ? 218 VAL d CG1 1 ? ? +39411 ATOM C CG1 B VAL X 20 207 ? 11.462 -0.276 23.032 0.60 54.08 ? 218 VAL d CG1 1 ? ? +39412 ATOM C CG2 A VAL X 20 207 ? 11.748 -1.370 20.741 0.40 53.23 ? 218 VAL d CG2 1 ? ? +39413 ATOM C CG2 B VAL X 20 207 ? 11.753 -1.322 20.776 0.60 53.01 ? 218 VAL d CG2 1 ? ? +39414 ATOM N N A GLU X 20 208 ? 8.158 0.795 22.546 0.40 54.34 ? 219 GLU d N 1 ? ? +39415 ATOM N N B GLU X 20 208 ? 8.208 0.846 22.584 0.60 54.10 ? 219 GLU d N 1 ? ? +39416 ATOM C CA A GLU X 20 208 ? 7.484 1.601 23.550 0.40 54.99 ? 219 GLU d CA 1 ? ? +39417 ATOM C CA B GLU X 20 208 ? 7.475 1.632 23.564 0.60 54.74 ? 219 GLU d CA 1 ? ? +39418 ATOM C C A GLU X 20 208 ? 6.125 1.057 23.985 0.40 55.26 ? 219 GLU d C 1 ? ? +39419 ATOM C C B GLU X 20 208 ? 6.090 1.089 23.906 0.60 54.94 ? 219 GLU d C 1 ? ? +39420 ATOM O O A GLU X 20 208 ? 5.615 1.453 25.032 0.40 55.81 ? 219 GLU d O 1 ? ? +39421 ATOM O O B GLU X 20 208 ? 5.502 1.500 24.905 0.60 55.48 ? 219 GLU d O 1 ? ? +39422 ATOM C CB A GLU X 20 208 ? 7.323 3.037 23.034 0.40 54.90 ? 219 GLU d CB 1 ? ? +39423 ATOM C CB B GLU X 20 208 ? 7.343 3.084 23.072 0.60 54.68 ? 219 GLU d CB 1 ? ? +39424 ATOM C CG A GLU X 20 208 ? 8.567 3.876 23.253 0.40 55.10 ? 219 GLU d CG 1 ? ? +39425 ATOM C CG B GLU X 20 208 ? 8.619 3.880 23.251 0.60 54.87 ? 219 GLU d CG 1 ? ? +39426 ATOM C CD A GLU X 20 208 ? 8.838 4.146 24.714 0.40 55.84 ? 219 GLU d CD 1 ? ? +39427 ATOM C CD B GLU X 20 208 ? 8.963 4.101 24.703 0.60 55.62 ? 219 GLU d CD 1 ? ? +39428 ATOM O OE1 A GLU X 20 208 ? 8.109 4.978 25.297 0.40 56.24 ? 219 GLU d OE1 1 ? ? +39429 ATOM O OE1 B GLU X 20 208 ? 8.374 5.018 25.315 0.60 56.07 ? 219 GLU d OE1 1 ? ? +39430 ATOM O OE2 A GLU X 20 208 ? 9.747 3.506 25.289 0.40 56.12 ? 219 GLU d OE2 1 ? ? +39431 ATOM O OE2 B GLU X 20 208 ? 9.788 3.331 25.244 0.60 55.90 ? 219 GLU d OE2 1 ? ? +39432 ATOM N N A ASN X 20 209 ? 5.551 0.146 23.193 0.40 54.94 ? 220 ASN d N 1 ? ? +39433 ATOM N N B ASN X 20 209 ? 5.578 0.165 23.086 0.60 54.59 ? 220 ASN d N 1 ? ? +39434 ATOM C CA A ASN X 20 209 ? 4.243 -0.409 23.504 0.40 55.23 ? 220 ASN d CA 1 ? ? +39435 ATOM C CA B ASN X 20 209 ? 4.287 -0.449 23.358 0.60 54.85 ? 220 ASN d CA 1 ? ? +39436 ATOM C C A ASN X 20 209 ? 4.282 -1.894 23.862 0.40 55.49 ? 220 ASN d C 1 ? ? +39437 ATOM C C B ASN X 20 209 ? 4.352 -1.961 23.565 0.60 55.07 ? 220 ASN d C 1 ? ? +39438 ATOM O O A ASN X 20 209 ? 3.240 -2.497 24.115 0.40 55.66 ? 220 ASN d O 1 ? ? +39439 ATOM O O B ASN X 20 209 ? 3.332 -2.639 23.470 0.60 55.05 ? 220 ASN d O 1 ? ? +39440 ATOM C CB A ASN X 20 209 ? 3.291 -0.139 22.346 0.40 54.70 ? 220 ASN d CB 1 ? ? +39441 ATOM C CB B ASN X 20 209 ? 3.314 -0.083 22.242 0.60 54.32 ? 220 ASN d CB 1 ? ? +39442 ATOM C CG A ASN X 20 209 ? 2.904 1.313 22.291 0.40 54.74 ? 220 ASN d CG 1 ? ? +39443 ATOM C CG B ASN X 20 209 ? 2.960 1.378 22.286 0.60 54.40 ? 220 ASN d CG 1 ? ? +39444 ATOM O OD1 A ASN X 20 209 ? 2.103 1.784 23.093 0.40 55.18 ? 220 ASN d OD1 1 ? ? +39445 ATOM O OD1 B ASN X 20 209 ? 2.287 1.826 23.205 0.60 54.86 ? 220 ASN d OD1 1 ? ? +39446 ATOM N ND2 A ASN X 20 209 ? 3.473 2.061 21.361 0.40 54.33 ? 220 ASN d ND2 1 ? ? +39447 ATOM N ND2 B ASN X 20 209 ? 3.419 2.159 21.322 0.60 53.97 ? 220 ASN d ND2 1 ? ? +39448 ATOM N N A THR X 20 210 ? 5.495 -2.460 23.917 0.40 55.62 ? 221 THR d N 1 ? ? +39449 ATOM N N B THR X 20 210 ? 5.555 -2.476 23.858 0.60 55.32 ? 221 THR d N 1 ? ? +39450 ATOM C CA A THR X 20 210 ? 5.694 -3.809 24.422 0.40 55.96 ? 221 THR d CA 1 ? ? +39451 ATOM C CA B THR X 20 210 ? 5.715 -3.822 24.391 0.60 55.69 ? 221 THR d CA 1 ? ? +39452 ATOM C C A THR X 20 210 ? 6.616 -3.828 25.638 0.40 56.69 ? 221 THR d C 1 ? ? +39453 ATOM C C B THR X 20 210 ? 6.639 -3.846 25.607 0.60 56.45 ? 221 THR d C 1 ? ? +39454 ATOM O O A THR X 20 210 ? 7.137 -4.874 26.016 0.40 56.85 ? 221 THR d O 1 ? ? +39455 ATOM O O B THR X 20 210 ? 7.147 -4.898 25.983 0.60 56.63 ? 221 THR d O 1 ? ? +39456 ATOM C CB A THR X 20 210 ? 6.191 -4.726 23.301 0.40 55.38 ? 221 THR d CB 1 ? ? +39457 ATOM C CB B THR X 20 210 ? 6.171 -4.781 23.283 0.60 55.12 ? 221 THR d CB 1 ? ? +39458 ATOM O OG1 A THR X 20 210 ? 7.377 -4.182 22.718 0.40 55.04 ? 221 THR d OG1 1 ? ? +39459 ATOM O OG1 B THR X 20 210 ? 7.357 -4.275 22.660 0.60 54.75 ? 221 THR d OG1 1 ? ? +39460 ATOM C CG2 A THR X 20 210 ? 5.125 -4.926 22.222 0.40 54.89 ? 221 THR d CG2 1 ? ? +39461 ATOM C CG2 B THR X 20 210 ? 5.066 -5.001 22.230 0.60 54.64 ? 221 THR d CG2 1 ? ? +39462 ATOM N N A LEU X 20 211 ? 6.775 -2.661 26.270 0.40 57.28 ? 222 LEU d N 1 ? ? +39463 ATOM N N B LEU X 20 211 ? 6.806 -2.681 26.245 0.60 57.07 ? 222 LEU d N 1 ? ? +39464 ATOM C CA A LEU X 20 211 ? 7.557 -2.533 27.488 0.40 58.11 ? 222 LEU d CA 1 ? ? +39465 ATOM C CA B LEU X 20 211 ? 7.597 -2.550 27.457 0.60 57.94 ? 222 LEU d CA 1 ? ? +39466 ATOM C C A LEU X 20 211 ? 7.062 -3.468 28.584 0.40 58.96 ? 222 LEU d C 1 ? ? +39467 ATOM C C B LEU X 20 211 ? 7.093 -3.487 28.548 0.60 58.83 ? 222 LEU d C 1 ? ? +39468 ATOM O O A LEU X 20 211 ? 5.858 -3.650 28.759 0.40 59.16 ? 222 LEU d O 1 ? ? +39469 ATOM O O B LEU X 20 211 ? 5.887 -3.666 28.701 0.60 59.05 ? 222 LEU d O 1 ? ? +39470 ATOM C CB A LEU X 20 211 ? 7.476 -1.100 28.028 0.40 58.40 ? 222 LEU d CB 1 ? ? +39471 ATOM C CB B LEU X 20 211 ? 7.512 -1.117 28.009 0.60 58.25 ? 222 LEU d CB 1 ? ? +39472 ATOM C CG A LEU X 20 211 ? 8.051 -0.007 27.158 0.40 57.97 ? 222 LEU d CG 1 ? ? +39473 ATOM C CG B LEU X 20 211 ? 8.087 -0.011 27.155 0.60 57.84 ? 222 LEU d CG 1 ? ? +39474 ATOM C CD1 A LEU X 20 211 ? 7.856 1.340 27.814 0.40 58.39 ? 222 LEU d CD1 1 ? ? +39475 ATOM C CD1 B LEU X 20 211 ? 7.884 1.325 27.823 0.60 58.25 ? 222 LEU d CD1 1 ? ? +39476 ATOM C CD2 A LEU X 20 211 ? 9.522 -0.247 26.876 0.40 57.85 ? 222 LEU d CD2 1 ? ? +39477 ATOM C CD2 B LEU X 20 211 ? 9.560 -0.242 26.878 0.60 57.73 ? 222 LEU d CD2 1 ? ? +39478 ATOM N N A PHE X 20 212 ? 8.015 -4.038 29.327 0.40 59.67 ? 223 PHE d N 1 ? ? +39479 ATOM N N B PHE X 20 212 ? 8.032 -4.060 29.307 0.60 59.59 ? 223 PHE d N 1 ? ? +39480 ATOM C CA A PHE X 20 212 ? 7.720 -4.699 30.585 0.40 60.64 ? 223 PHE d CA 1 ? ? +39481 ATOM C CA B PHE X 20 212 ? 7.711 -4.715 30.562 0.60 60.59 ? 223 PHE d CA 1 ? ? +39482 ATOM C C A PHE X 20 212 ? 7.485 -3.644 31.660 0.40 61.60 ? 223 PHE d C 1 ? ? +39483 ATOM C C B PHE X 20 212 ? 7.440 -3.645 31.616 0.60 61.57 ? 223 PHE d C 1 ? ? +39484 ATOM O O A PHE X 20 212 ? 8.116 -2.589 31.634 0.40 61.70 ? 223 PHE d O 1 ? ? +39485 ATOM O O B PHE X 20 212 ? 7.989 -2.549 31.529 0.60 61.67 ? 223 PHE d O 1 ? ? +39486 ATOM C CB A PHE X 20 212 ? 8.870 -5.614 30.995 0.40 60.85 ? 223 PHE d CB 1 ? ? +39487 ATOM C CB B PHE X 20 212 ? 8.855 -5.628 31.001 0.60 60.84 ? 223 PHE d CB 1 ? ? +39488 ATOM C CG A PHE X 20 212 ? 8.990 -6.865 30.166 0.40 60.38 ? 223 PHE d CG 1 ? ? +39489 ATOM C CG B PHE X 20 212 ? 8.986 -6.884 30.180 0.60 60.40 ? 223 PHE d CG 1 ? ? +39490 ATOM C CD1 A PHE X 20 212 ? 7.983 -7.813 30.166 0.40 60.38 ? 223 PHE d CD1 1 ? ? +39491 ATOM C CD1 B PHE X 20 212 ? 7.949 -7.800 30.118 0.60 60.37 ? 223 PHE d CD1 1 ? ? +39492 ATOM C CD2 A PHE X 20 212 ? 10.115 -7.098 29.394 0.40 59.96 ? 223 PHE d CD2 1 ? ? +39493 ATOM C CD2 B PHE X 20 212 ? 10.150 -7.157 29.479 0.60 60.03 ? 223 PHE d CD2 1 ? ? +39494 ATOM C CE1 A PHE X 20 212 ? 8.096 -8.968 29.407 0.40 60.00 ? 223 PHE d CE1 1 ? ? +39495 ATOM C CE1 B PHE X 20 212 ? 8.071 -8.962 29.366 0.60 60.00 ? 223 PHE d CE1 1 ? ? +39496 ATOM C CE2 A PHE X 20 212 ? 10.225 -8.255 28.635 0.40 59.58 ? 223 PHE d CE2 1 ? ? +39497 ATOM C CE2 B PHE X 20 212 ? 10.271 -8.321 28.729 0.60 59.67 ? 223 PHE d CE2 1 ? ? +39498 ATOM C CZ A PHE X 20 212 ? 9.215 -9.182 28.644 0.40 59.60 ? 223 PHE d CZ 1 ? ? +39499 ATOM C CZ B PHE X 20 212 ? 9.230 -9.215 28.673 0.60 59.66 ? 223 PHE d CZ 1 ? ? +39500 ATOM N N A GLN X 20 213 ? 6.571 -3.931 32.594 0.40 62.51 ? 224 GLN d N 1 ? ? +39501 ATOM N N B GLN X 20 213 ? 6.577 -3.955 32.591 0.60 62.53 ? 224 GLN d N 1 ? ? +39502 ATOM C CA A GLN X 20 213 ? 6.353 -3.049 33.726 0.40 63.52 ? 224 GLN d CA 1 ? ? +39503 ATOM C CA B GLN X 20 213 ? 6.361 -3.060 33.714 0.60 63.57 ? 224 GLN d CA 1 ? ? +39504 ATOM C C A GLN X 20 213 ? 7.436 -3.326 34.761 0.40 64.51 ? 224 GLN d C 1 ? ? +39505 ATOM C C B GLN X 20 213 ? 7.459 -3.323 34.736 0.60 64.57 ? 224 GLN d C 1 ? ? +39506 ATOM O O A GLN X 20 213 ? 7.354 -4.300 35.503 0.40 65.03 ? 224 GLN d O 1 ? ? +39507 ATOM O O B GLN X 20 213 ? 7.365 -4.262 35.520 0.60 65.13 ? 224 GLN d O 1 ? ? +39508 ATOM C CB A GLN X 20 213 ? 4.971 -3.225 34.356 0.40 63.94 ? 224 GLN d CB 1 ? ? +39509 ATOM C CB B GLN X 20 213 ? 4.989 -3.233 34.366 0.60 64.04 ? 224 GLN d CB 1 ? ? +39510 ATOM C CG A GLN X 20 213 ? 4.762 -2.270 35.521 0.40 64.67 ? 224 GLN d CG 1 ? ? +39511 ATOM C CG B GLN X 20 213 ? 4.791 -2.267 35.531 0.60 64.81 ? 224 GLN d CG 1 ? ? +39512 ATOM C CD A GLN X 20 213 ? 3.460 -2.484 36.240 0.40 65.24 ? 224 GLN d CD 1 ? ? +39513 ATOM C CD B GLN X 20 213 ? 3.472 -2.434 36.231 0.60 65.42 ? 224 GLN d CD 1 ? ? +39514 ATOM O OE1 A GLN X 20 213 ? 2.638 -3.326 35.867 0.40 65.15 ? 224 GLN d OE1 1 ? ? +39515 ATOM O OE1 B GLN X 20 213 ? 2.600 -3.200 35.811 0.60 65.31 ? 224 GLN d OE1 1 ? ? +39516 ATOM N NE2 A GLN X 20 213 ? 3.245 -1.724 37.300 0.40 65.94 ? 224 GLN d NE2 1 ? ? +39517 ATOM N NE2 B GLN X 20 213 ? 3.301 -1.715 37.330 0.60 66.15 ? 224 GLN d NE2 1 ? ? +39518 ATOM N N A ASP X 20 214 ? 8.453 -2.461 34.786 0.40 65.02 ? 225 ASP d N 1 ? ? +39519 ATOM N N B ASP X 20 214 ? 8.491 -2.477 34.719 0.60 65.07 ? 225 ASP d N 1 ? ? +39520 ATOM C CA A ASP X 20 214 ? 9.590 -2.636 35.670 0.40 66.03 ? 225 ASP d CA 1 ? ? +39521 ATOM C CA B ASP X 20 214 ? 9.625 -2.619 35.613 0.60 66.13 ? 225 ASP d CA 1 ? ? +39522 ATOM C C A ASP X 20 214 ? 9.611 -1.570 36.762 0.40 67.15 ? 225 ASP d C 1 ? ? +39523 ATOM C C B ASP X 20 214 ? 9.671 -1.495 36.645 0.60 67.22 ? 225 ASP d C 1 ? ? +39524 ATOM O O A ASP X 20 214 ? 10.525 -1.529 37.580 0.40 67.82 ? 225 ASP d O 1 ? ? +39525 ATOM O O B ASP X 20 214 ? 10.717 -1.214 37.220 0.60 67.85 ? 225 ASP d O 1 ? ? +39526 ATOM C CB A ASP X 20 214 ? 10.882 -2.623 34.841 0.40 65.61 ? 225 ASP d CB 1 ? ? +39527 ATOM C CB B ASP X 20 214 ? 10.902 -2.676 34.771 0.60 65.71 ? 225 ASP d CB 1 ? ? +39528 ATOM C CG A ASP X 20 214 ? 11.090 -3.889 34.036 0.40 65.20 ? 225 ASP d CG 1 ? ? +39529 ATOM C CG B ASP X 20 214 ? 10.980 -3.942 33.952 0.60 65.30 ? 225 ASP d CG 1 ? ? +39530 ATOM O OD1 A ASP X 20 214 ? 10.492 -4.927 34.397 0.40 65.44 ? 225 ASP d OD1 1 ? ? +39531 ATOM O OD1 B ASP X 20 214 ? 10.328 -4.939 34.336 0.60 65.58 ? 225 ASP d OD1 1 ? ? +39532 ATOM O OD2 A ASP X 20 214 ? 11.838 -3.840 33.037 0.40 64.75 ? 225 ASP d OD2 1 ? ? +39533 ATOM O OD2 B ASP X 20 214 ? 11.676 -3.938 32.917 0.60 64.84 ? 225 ASP d OD2 1 ? ? +39534 ATOM N N A GLY X 20 215 ? 8.581 -0.720 36.772 0.40 67.64 ? 226 GLY d N 1 ? ? +39535 ATOM N N B GLY X 20 215 ? 8.516 -0.865 36.871 0.60 67.77 ? 226 GLY d N 1 ? ? +39536 ATOM C CA A GLY X 20 215 ? 8.416 0.297 37.796 0.40 68.72 ? 226 GLY d CA 1 ? ? +39537 ATOM C CA B GLY X 20 215 ? 8.381 0.197 37.850 0.60 68.78 ? 226 GLY d CA 1 ? ? +39538 ATOM C C A GLY X 20 215 ? 6.937 0.596 38.026 0.40 69.45 ? 226 GLY d C 1 ? ? +39539 ATOM C C B GLY X 20 215 ? 6.905 0.478 38.121 0.60 69.55 ? 226 GLY d C 1 ? ? +39540 ATOM O O A GLY X 20 215 ? 6.086 0.147 37.258 0.40 68.98 ? 226 GLY d O 1 ? ? +39541 ATOM O O B GLY X 20 215 ? 6.024 -0.082 37.466 0.60 69.06 ? 226 GLY d O 1 ? ? +39542 ATOM N N . GLU X 20 216 ? 6.648 1.351 39.097 1.00 70.69 ? 227 GLU d N 1 ? ? +39543 ATOM C CA . GLU X 20 216 ? 5.286 1.666 39.489 1.00 71.82 ? 227 GLU d CA 1 ? ? +39544 ATOM C CB . GLU X 20 216 ? 5.154 1.619 41.022 1.00 74.29 ? 227 GLU d CB 1 ? ? +39545 ATOM C CG . GLU X 20 216 ? 5.414 0.231 41.612 1.00 75.90 ? 227 GLU d CG 1 ? ? +39546 ATOM C CD . GLU X 20 216 ? 4.401 -0.872 41.299 1.00 76.97 ? 227 GLU d CD 1 ? ? +39547 ATOM O OE1 . GLU X 20 216 ? 3.290 -0.582 40.782 1.00 77.02 ? 227 GLU d OE1 1 ? ? +39548 ATOM O OE2 . GLU X 20 216 ? 4.747 -2.049 41.562 1.00 78.19 ? 227 GLU d OE2 1 ? ? +39549 ATOM C C . GLU X 20 216 ? 4.811 3.019 38.973 1.00 71.45 ? 227 GLU d C 1 ? ? +39550 ATOM O O . GLU X 20 216 ? 3.614 3.288 39.000 1.00 71.77 ? 227 GLU d O 1 ? ? +39551 ATOM N N . GLY X 20 217 ? 5.737 3.864 38.503 1.00 70.71 ? 228 GLY d N 1 ? ? +39552 ATOM C CA . GLY X 20 217 ? 5.382 5.188 38.018 1.00 70.29 ? 228 GLY d CA 1 ? ? +39553 ATOM C C . GLY X 20 217 ? 4.635 5.146 36.687 1.00 69.32 ? 228 GLY d C 1 ? ? +39554 ATOM O O . GLY X 20 217 ? 4.788 4.199 35.920 1.00 68.72 ? 228 GLY d O 1 ? ? +39555 ATOM N N . ALA X 20 218 ? 3.817 6.176 36.435 1.00 68.94 ? 229 ALA d N 1 ? ? +39556 ATOM C CA . ALA X 20 218 ? 3.117 6.305 35.167 1.00 68.01 ? 229 ALA d CA 1 ? ? +39557 ATOM C CB . ALA X 20 218 ? 1.989 7.314 35.284 1.00 68.18 ? 229 ALA d CB 1 ? ? +39558 ATOM C C . ALA X 20 218 ? 4.070 6.689 34.033 1.00 67.12 ? 229 ALA d C 1 ? ? +39559 ATOM O O . ALA X 20 218 ? 3.779 6.415 32.871 1.00 66.39 ? 229 ALA d O 1 ? ? +39560 ATOM N N A SER X 20 219 ? 5.176 7.361 34.378 0.40 67.16 ? 230 SER d N 1 ? ? +39561 ATOM N N B SER X 20 219 ? 5.205 7.309 34.387 0.60 67.27 ? 230 SER d N 1 ? ? +39562 ATOM C CA A SER X 20 219 ? 6.271 7.579 33.446 0.40 66.52 ? 230 SER d CA 1 ? ? +39563 ATOM C CA B SER X 20 219 ? 6.299 7.536 33.454 0.60 66.72 ? 230 SER d CA 1 ? ? +39564 ATOM C C A SER X 20 219 ? 7.150 6.334 33.388 0.40 66.15 ? 230 SER d C 1 ? ? +39565 ATOM C C B SER X 20 219 ? 7.211 6.314 33.350 0.60 66.39 ? 230 SER d C 1 ? ? +39566 ATOM O O A SER X 20 219 ? 7.825 6.006 34.361 0.40 66.79 ? 230 SER d O 1 ? ? +39567 ATOM O O B SER X 20 219 ? 8.047 6.087 34.226 0.60 67.02 ? 230 SER d O 1 ? ? +39568 ATOM C CB A SER X 20 219 ? 7.108 8.787 33.850 0.40 66.93 ? 230 SER d CB 1 ? ? +39569 ATOM C CB B SER X 20 219 ? 7.122 8.751 33.874 0.60 67.17 ? 230 SER d CB 1 ? ? +39570 ATOM O OG A SER X 20 219 ? 8.320 8.828 33.114 0.40 66.57 ? 230 SER d OG 1 ? ? +39571 ATOM O OG B SER X 20 219 ? 8.431 8.696 33.329 0.60 66.91 ? 230 SER d OG 1 ? ? +39572 ATOM N N A THR X 20 220 ? 7.132 5.649 32.240 0.40 65.17 ? 231 THR d N 1 ? ? +39573 ATOM N N B THR X 20 220 ? 7.076 5.560 32.251 0.60 65.47 ? 231 THR d N 1 ? ? +39574 ATOM C CA A THR X 20 220 ? 7.789 4.360 32.110 0.40 64.82 ? 231 THR d CA 1 ? ? +39575 ATOM C CA B THR X 20 220 ? 7.766 4.290 32.095 0.60 65.16 ? 231 THR d CA 1 ? ? +39576 ATOM C C A THR X 20 220 ? 9.285 4.471 31.825 0.40 64.69 ? 231 THR d C 1 ? ? +39577 ATOM C C B THR X 20 220 ? 9.257 4.417 31.785 0.60 65.18 ? 231 THR d C 1 ? ? +39578 ATOM O O A THR X 20 220 ? 9.983 3.462 31.814 0.40 64.48 ? 231 THR d O 1 ? ? +39579 ATOM O O B THR X 20 220 ? 9.939 3.405 31.669 0.60 64.79 ? 231 THR d O 1 ? ? +39580 ATOM C CB A THR X 20 220 ? 7.100 3.540 31.021 0.40 64.02 ? 231 THR d CB 1 ? ? +39581 ATOM C CB B THR X 20 220 ? 7.086 3.458 30.999 0.60 64.29 ? 231 THR d CB 1 ? ? +39582 ATOM O OG1 A THR X 20 220 ? 7.140 4.267 29.799 0.40 63.34 ? 231 THR d OG1 1 ? ? +39583 ATOM O OG1 B THR X 20 220 ? 7.148 4.162 29.766 0.60 63.58 ? 231 THR d OG1 1 ? ? +39584 ATOM C CG2 A THR X 20 220 ? 5.665 3.216 31.368 0.40 64.18 ? 231 THR d CG2 1 ? ? +39585 ATOM C CG2 B THR X 20 220 ? 5.649 3.145 31.323 0.60 64.43 ? 231 THR d CG2 1 ? ? +39586 ATOM N N A PHE X 20 221 ? 9.768 5.699 31.601 0.40 64.82 ? 232 PHE d N 1 ? ? +39587 ATOM N N B PHE X 20 221 ? 9.747 5.655 31.632 0.60 65.63 ? 232 PHE d N 1 ? ? +39588 ATOM C CA A PHE X 20 221 ? 11.159 5.934 31.245 0.40 64.91 ? 232 PHE d CA 1 ? ? +39589 ATOM C CA B PHE X 20 221 ? 11.139 5.910 31.296 0.60 66.03 ? 232 PHE d CA 1 ? ? +39590 ATOM C C A PHE X 20 221 ? 12.114 5.595 32.387 0.40 65.93 ? 232 PHE d C 1 ? ? +39591 ATOM C C B PHE X 20 221 ? 12.091 5.626 32.455 0.60 67.42 ? 232 PHE d C 1 ? ? +39592 ATOM O O A PHE X 20 221 ? 13.199 5.075 32.158 0.40 65.82 ? 232 PHE d O 1 ? ? +39593 ATOM O O B PHE X 20 221 ? 13.232 5.238 32.236 0.60 67.33 ? 232 PHE d O 1 ? ? +39594 ATOM C CB A PHE X 20 221 ? 11.367 7.398 30.826 0.40 64.73 ? 232 PHE d CB 1 ? ? +39595 ATOM C CB B PHE X 20 221 ? 11.322 7.369 30.854 0.60 65.82 ? 232 PHE d CB 1 ? ? +39596 ATOM C CG A PHE X 20 221 ? 10.646 7.780 29.559 0.40 63.96 ? 232 PHE d CG 1 ? ? +39597 ATOM C CG B PHE X 20 221 ? 10.628 7.702 29.562 0.60 65.02 ? 232 PHE d CG 1 ? ? +39598 ATOM C CD1 A PHE X 20 221 ? 11.109 7.362 28.328 0.40 63.24 ? 232 PHE d CD1 1 ? ? +39599 ATOM C CD1 B PHE X 20 221 ? 11.106 7.220 28.360 0.60 64.32 ? 232 PHE d CD1 1 ? ? +39600 ATOM C CD2 A PHE X 20 221 ? 9.489 8.538 29.603 0.40 63.97 ? 232 PHE d CD2 1 ? ? +39601 ATOM C CD2 B PHE X 20 221 ? 9.482 8.477 29.551 0.60 65.00 ? 232 PHE d CD2 1 ? ? +39602 ATOM C CE1 A PHE X 20 221 ? 10.438 7.707 27.166 0.40 62.62 ? 232 PHE d CE1 1 ? ? +39603 ATOM C CE1 B PHE X 20 221 ? 10.458 7.520 27.172 0.60 63.67 ? 232 PHE d CE1 1 ? ? +39604 ATOM C CE2 A PHE X 20 221 ? 8.825 8.882 28.439 0.40 63.33 ? 232 PHE d CE2 1 ? ? +39605 ATOM C CE2 B PHE X 20 221 ? 8.843 8.778 28.362 0.60 64.34 ? 232 PHE d CE2 1 ? ? +39606 ATOM C CZ A PHE X 20 221 ? 9.304 8.467 27.229 0.40 62.67 ? 232 PHE d CZ 1 ? ? +39607 ATOM C CZ B PHE X 20 221 ? 9.335 8.300 27.180 0.60 63.69 ? 232 PHE d CZ 1 ? ? +39608 ATOM N N A ARG X 20 222 ? 11.695 5.895 33.619 0.40 67.15 ? 233 ARG d N 1 ? ? +39609 ATOM N N B ARG X 20 222 ? 11.611 5.834 33.686 0.60 69.13 ? 233 ARG d N 1 ? ? +39610 ATOM C CA A ARG X 20 222 ? 12.519 5.678 34.796 0.40 68.22 ? 233 ARG d CA 1 ? ? +39611 ATOM C CA B ARG X 20 222 ? 12.414 5.630 34.879 0.60 70.56 ? 233 ARG d CA 1 ? ? +39612 ATOM C C A ARG X 20 222 ? 12.806 4.203 35.062 0.40 68.39 ? 233 ARG d C 1 ? ? +39613 ATOM C C B ARG X 20 222 ? 12.681 4.162 35.191 0.60 70.77 ? 233 ARG d C 1 ? ? +39614 ATOM O O A ARG X 20 222 ? 13.817 3.875 35.675 0.40 68.87 ? 233 ARG d O 1 ? ? +39615 ATOM O O B ARG X 20 222 ? 13.609 3.855 35.931 0.60 71.27 ? 233 ARG d O 1 ? ? +39616 ATOM C CB A ARG X 20 222 ? 11.848 6.286 36.029 0.40 69.26 ? 233 ARG d CB 1 ? ? +39617 ATOM C CB B ARG X 20 222 ? 11.726 6.247 36.090 0.60 72.04 ? 233 ARG d CB 1 ? ? +39618 ATOM C CG A ARG X 20 222 ? 11.695 7.783 35.943 0.40 69.67 ? 233 ARG d CG 1 ? ? +39619 ATOM C CG B ARG X 20 222 ? 11.587 7.743 35.994 0.60 72.89 ? 233 ARG d CG 1 ? ? +39620 ATOM C CD A ARG X 20 222 ? 11.491 8.406 37.311 0.40 70.90 ? 233 ARG d CD 1 ? ? +39621 ATOM C CD B ARG X 20 222 ? 11.655 8.395 37.354 0.60 74.62 ? 233 ARG d CD 1 ? ? +39622 ATOM N NE A ARG X 20 222 ? 11.769 9.839 37.294 0.40 71.47 ? 233 ARG d NE 1 ? ? +39623 ATOM N NE B ARG X 20 222 ? 12.025 9.801 37.232 0.60 75.67 ? 233 ARG d NE 1 ? ? +39624 ATOM C CZ A ARG X 20 222 ? 12.554 10.469 38.163 0.40 72.44 ? 233 ARG d CZ 1 ? ? +39625 ATOM C CZ B ARG X 20 222 ? 12.558 10.531 38.206 0.60 77.16 ? 233 ARG d CZ 1 ? ? +39626 ATOM N NH1 A ARG X 20 222 ? 13.072 9.843 39.208 0.40 73.09 ? 233 ARG d NH1 1 ? ? +39627 ATOM N NH1 B ARG X 20 222 ? 12.874 9.999 39.377 0.60 77.99 ? 233 ARG d NH1 1 ? ? +39628 ATOM N NH2 A ARG X 20 222 ? 12.817 11.761 37.980 0.40 72.66 ? 233 ARG d NH2 1 ? ? +39629 ATOM N NH2 B ARG X 20 222 ? 12.788 11.826 37.994 0.60 77.52 ? 233 ARG d NH2 1 ? ? +39630 ATOM N N A ALA X 20 223 ? 11.912 3.321 34.603 0.40 68.20 ? 234 ALA d N 1 ? ? +39631 ATOM N N B ALA X 20 223 ? 11.854 3.267 34.639 0.60 70.61 ? 234 ALA d N 1 ? ? +39632 ATOM C CA A ALA X 20 223 ? 12.037 1.894 34.858 0.40 68.44 ? 234 ALA d CA 1 ? ? +39633 ATOM C CA B ALA X 20 223 ? 11.973 1.840 34.892 0.60 70.93 ? 234 ALA d CA 1 ? ? +39634 ATOM C C A ALA X 20 223 ? 13.005 1.223 33.886 0.40 68.18 ? 234 ALA d C 1 ? ? +39635 ATOM C C B ALA X 20 223 ? 12.940 1.175 33.915 0.60 70.98 ? 234 ALA d C 1 ? ? +39636 ATOM O O A ALA X 20 223 ? 12.680 0.214 33.266 0.40 67.88 ? 234 ALA d O 1 ? ? +39637 ATOM O O B ALA X 20 223 ? 12.619 0.162 33.299 0.60 70.83 ? 234 ALA d O 1 ? ? +39638 ATOM C CB A ALA X 20 223 ? 10.671 1.229 34.783 0.40 68.25 ? 234 ALA d CB 1 ? ? +39639 ATOM C CB B ALA X 20 223 ? 10.604 1.189 34.813 0.60 70.63 ? 234 ALA d CB 1 ? ? +39640 ATOM N N A PHE X 20 224 ? 14.206 1.792 33.765 0.40 68.55 ? 235 PHE d N 1 ? ? +39641 ATOM N N B PHE X 20 224 ? 14.134 1.755 33.787 0.60 71.64 ? 235 PHE d N 1 ? ? +39642 ATOM C CA A PHE X 20 224 ? 15.245 1.212 32.931 0.40 68.38 ? 235 PHE d CA 1 ? ? +39643 ATOM C CA B PHE X 20 224 ? 15.190 1.180 32.974 0.60 71.76 ? 235 PHE d CA 1 ? ? +39644 ATOM C C A PHE X 20 224 ? 16.615 1.573 33.492 0.40 69.24 ? 235 PHE d C 1 ? ? +39645 ATOM C C B PHE X 20 224 ? 16.519 1.492 33.650 0.60 73.02 ? 235 PHE d C 1 ? ? +39646 ATOM O O A PHE X 20 224 ? 16.852 2.721 33.859 0.40 69.75 ? 235 PHE d O 1 ? ? +39647 ATOM O O B PHE X 20 224 ? 16.641 2.508 34.331 0.60 73.80 ? 235 PHE d O 1 ? ? +39648 ATOM C CB A PHE X 20 224 ? 15.135 1.698 31.481 0.40 67.48 ? 235 PHE d CB 1 ? ? +39649 ATOM C CB B PHE X 20 224 ? 15.158 1.726 31.535 0.60 70.80 ? 235 PHE d CB 1 ? ? +39650 ATOM C CG A PHE X 20 224 ? 16.263 1.198 30.609 0.40 67.00 ? 235 PHE d CG 1 ? ? +39651 ATOM C CG B PHE X 20 224 ? 16.288 1.211 30.673 0.60 70.22 ? 235 PHE d CG 1 ? ? +39652 ATOM C CD1 A PHE X 20 224 ? 16.213 -0.063 30.038 0.40 66.51 ? 235 PHE d CD1 1 ? ? +39653 ATOM C CD1 B PHE X 20 224 ? 16.228 -0.048 30.097 0.60 69.61 ? 235 PHE d CD1 1 ? ? +39654 ATOM C CD2 A PHE X 20 224 ? 17.396 1.968 30.404 0.40 67.02 ? 235 PHE d CD2 1 ? ? +39655 ATOM C CD2 B PHE X 20 224 ? 17.432 1.968 30.480 0.60 70.19 ? 235 PHE d CD2 1 ? ? +39656 ATOM C CE1 A PHE X 20 224 ? 17.258 -0.527 29.253 0.40 66.19 ? 235 PHE d CE1 1 ? ? +39657 ATOM C CE1 B PHE X 20 224 ? 17.276 -0.525 29.320 0.60 69.32 ? 235 PHE d CE1 1 ? ? +39658 ATOM C CE2 A PHE X 20 224 ? 18.440 1.498 29.623 0.40 66.68 ? 235 PHE d CE2 1 ? ? +39659 ATOM C CE2 B PHE X 20 224 ? 18.478 1.487 29.706 0.60 69.85 ? 235 PHE d CE2 1 ? ? +39660 ATOM C CZ A PHE X 20 224 ? 18.366 0.255 29.050 0.40 66.27 ? 235 PHE d CZ 1 ? ? +39661 ATOM C CZ B PHE X 20 224 ? 18.396 0.243 29.128 0.60 69.42 ? 235 PHE d CZ 1 ? ? +39662 ATOM N N A ASN X 20 225 ? 17.503 0.576 33.549 0.40 69.68 ? 236 ASN d N 1 ? ? +39663 ATOM N N B ASN X 20 225 ? 17.495 0.596 33.468 0.60 73.79 ? 236 ASN d N 1 ? ? +39664 ATOM C CA A ASN X 20 225 ? 18.861 0.771 34.028 0.40 70.32 ? 236 ASN d CA 1 ? ? +39665 ATOM C CA B ASN X 20 225 ? 18.841 0.792 33.982 0.60 74.70 ? 236 ASN d CA 1 ? ? +39666 ATOM C C A ASN X 20 225 ? 19.853 0.330 32.954 0.40 69.89 ? 236 ASN d C 1 ? ? +39667 ATOM C C B ASN X 20 225 ? 19.846 0.330 32.927 0.60 74.37 ? 236 ASN d C 1 ? ? +39668 ATOM O O A ASN X 20 225 ? 19.801 -0.808 32.494 0.40 69.35 ? 236 ASN d O 1 ? ? +39669 ATOM O O B ASN X 20 225 ? 19.744 -0.791 32.438 0.60 73.51 ? 236 ASN d O 1 ? ? +39670 ATOM C CB A ASN X 20 225 ? 19.073 -0.001 35.325 0.40 71.28 ? 236 ASN d CB 1 ? ? +39671 ATOM C CB B ASN X 20 225 ? 19.015 0.038 35.297 0.60 75.90 ? 236 ASN d CB 1 ? ? +39672 ATOM C CG A ASN X 20 225 ? 20.396 0.282 35.980 0.40 72.15 ? 236 ASN d CG 1 ? ? +39673 ATOM C CG B ASN X 20 225 ? 20.332 0.310 35.984 0.60 77.12 ? 236 ASN d CG 1 ? ? +39674 ATOM O OD1 A ASN X 20 225 ? 21.460 -0.153 35.520 0.40 72.12 ? 236 ASN d OD1 1 ? ? +39675 ATOM O OD1 B ASN X 20 225 ? 21.390 -0.234 35.618 0.60 77.23 ? 236 ASN d OD1 1 ? ? +39676 ATOM N ND2 A ASN X 20 225 ? 20.359 1.012 37.081 0.40 72.97 ? 236 ASN d ND2 1 ? ? +39677 ATOM N ND2 B ASN X 20 225 ? 20.299 1.148 37.012 0.60 78.09 ? 236 ASN d ND2 1 ? ? +39678 ATOM N N A PRO X 20 226 ? 20.783 1.214 32.525 0.40 70.13 ? 237 PRO d N 1 ? ? +39679 ATOM N N B PRO X 20 226 ? 20.849 1.162 32.549 0.60 75.06 ? 237 PRO d N 1 ? ? +39680 ATOM C CA A PRO X 20 226 ? 21.714 0.899 31.437 0.40 69.61 ? 237 PRO d CA 1 ? ? +39681 ATOM C CA B PRO X 20 226 ? 21.753 0.833 31.442 0.60 74.50 ? 237 PRO d CA 1 ? ? +39682 ATOM C C A PRO X 20 226 ? 22.473 -0.420 31.583 0.40 69.66 ? 237 PRO d C 1 ? ? +39683 ATOM C C B PRO X 20 226 ? 22.548 -0.460 31.620 0.60 74.42 ? 237 PRO d C 1 ? ? +39684 ATOM O O A PRO X 20 226 ? 22.842 -1.029 30.580 0.40 69.10 ? 237 PRO d O 1 ? ? +39685 ATOM O O B PRO X 20 226 ? 22.920 -1.096 30.633 0.60 73.76 ? 237 PRO d O 1 ? ? +39686 ATOM C CB A PRO X 20 226 ? 22.692 2.080 31.462 0.40 70.04 ? 237 PRO d CB 1 ? ? +39687 ATOM C CB B PRO X 20 226 ? 22.705 2.039 31.381 0.60 75.02 ? 237 PRO d CB 1 ? ? +39688 ATOM C CG A PRO X 20 226 ? 21.919 3.213 32.077 0.40 70.35 ? 237 PRO d CG 1 ? ? +39689 ATOM C CG B PRO X 20 226 ? 22.016 3.138 32.138 0.60 75.50 ? 237 PRO d CG 1 ? ? +39690 ATOM C CD A PRO X 20 226 ? 20.976 2.572 33.067 0.40 70.75 ? 237 PRO d CD 1 ? ? +39691 ATOM C CD B PRO X 20 226 ? 21.179 2.453 33.179 0.60 76.01 ? 237 PRO d CD 1 ? ? +39692 ATOM N N A THR X 20 227 ? 22.702 -0.852 32.829 0.40 70.23 ? 238 THR d N 1 ? ? +39693 ATOM N N B THR X 20 227 ? 22.805 -0.836 32.881 0.60 74.89 ? 238 THR d N 1 ? ? +39694 ATOM C CA A THR X 20 227 ? 23.490 -2.046 33.092 0.40 70.48 ? 238 THR d CA 1 ? ? +39695 ATOM C CA B THR X 20 227 ? 23.550 -2.046 33.195 0.60 75.20 ? 238 THR d CA 1 ? ? +39696 ATOM C C A THR X 20 227 ? 22.661 -3.295 33.390 0.40 70.26 ? 238 THR d C 1 ? ? +39697 ATOM C C B THR X 20 227 ? 22.675 -3.242 33.572 0.60 74.87 ? 238 THR d C 1 ? ? +39698 ATOM O O A THR X 20 227 ? 23.218 -4.333 33.743 0.40 70.79 ? 238 THR d O 1 ? ? +39699 ATOM O O B THR X 20 227 ? 23.169 -4.207 34.154 0.60 75.69 ? 238 THR d O 1 ? ? +39700 ATOM C CB A THR X 20 227 ? 24.456 -1.792 34.260 0.40 71.39 ? 238 THR d CB 1 ? ? +39701 ATOM C CB B THR X 20 227 ? 24.532 -1.783 34.352 0.60 76.05 ? 238 THR d CB 1 ? ? +39702 ATOM O OG1 A THR X 20 227 ? 23.701 -1.398 35.406 0.40 71.98 ? 238 THR d OG1 1 ? ? +39703 ATOM O OG1 B THR X 20 227 ? 23.777 -1.536 35.543 0.60 76.70 ? 238 THR d OG1 1 ? ? +39704 ATOM C CG2 A THR X 20 227 ? 25.490 -0.724 33.941 0.40 71.46 ? 238 THR d CG2 1 ? ? +39705 ATOM C CG2 B THR X 20 227 ? 25.477 -0.622 34.066 0.60 76.08 ? 238 THR d CG2 1 ? ? +39706 ATOM N N A GLN X 20 228 ? 21.335 -3.195 33.252 0.40 69.51 ? 239 GLN d N 1 ? ? +39707 ATOM N N B GLN X 20 228 ? 21.375 -3.179 33.258 0.60 73.68 ? 239 GLN d N 1 ? ? +39708 ATOM C CA A GLN X 20 228 ? 20.470 -4.338 33.490 0.40 69.14 ? 239 GLN d CA 1 ? ? +39709 ATOM C CA B GLN X 20 228 ? 20.507 -4.322 33.484 0.60 73.03 ? 239 GLN d CA 1 ? ? +39710 ATOM C C A GLN X 20 228 ? 20.687 -5.357 32.375 0.40 68.21 ? 239 GLN d C 1 ? ? +39711 ATOM C C B GLN X 20 228 ? 20.783 -5.329 32.372 0.60 71.84 ? 239 GLN d C 1 ? ? +39712 ATOM O O A GLN X 20 228 ? 20.990 -4.990 31.242 0.40 67.54 ? 239 GLN d O 1 ? ? +39713 ATOM O O B GLN X 20 228 ? 21.138 -4.942 31.260 0.60 71.07 ? 239 GLN d O 1 ? ? +39714 ATOM C CB A GLN X 20 228 ? 18.998 -3.915 33.568 0.40 68.93 ? 239 GLN d CB 1 ? ? +39715 ATOM C CB B GLN X 20 228 ? 19.026 -3.910 33.539 0.60 72.78 ? 239 GLN d CB 1 ? ? +39716 ATOM C CG A GLN X 20 228 ? 18.417 -3.514 32.227 0.40 68.05 ? 239 GLN d CG 1 ? ? +39717 ATOM C CG B GLN X 20 228 ? 18.428 -3.532 32.193 0.60 71.89 ? 239 GLN d CG 1 ? ? +39718 ATOM C CD A GLN X 20 228 ? 17.035 -2.949 32.367 0.40 67.89 ? 239 GLN d CD 1 ? ? +39719 ATOM C CD B GLN X 20 228 ? 17.031 -2.991 32.335 0.60 71.64 ? 239 GLN d CD 1 ? ? +39720 ATOM O OE1 A GLN X 20 228 ? 16.798 -1.992 33.118 0.40 68.22 ? 239 GLN d OE1 1 ? ? +39721 ATOM O OE1 B GLN X 20 228 ? 16.771 -2.056 33.113 0.60 71.88 ? 239 GLN d OE1 1 ? ? +39722 ATOM N NE2 A GLN X 20 228 ? 16.098 -3.541 31.650 0.40 67.31 ? 239 GLN d NE2 1 ? ? +39723 ATOM N NE2 B GLN X 20 228 ? 16.101 -3.575 31.589 0.60 70.99 ? 239 GLN d NE2 1 ? ? +39724 ATOM N N A ALA X 20 229 ? 20.532 -6.641 32.714 0.40 68.13 ? 240 ALA d N 1 ? ? +39725 ATOM N N B ALA X 20 229 ? 20.628 -6.618 32.693 0.60 71.59 ? 240 ALA d N 1 ? ? +39726 ATOM C CA A ALA X 20 229 ? 20.796 -7.718 31.775 0.40 67.38 ? 240 ALA d CA 1 ? ? +39727 ATOM C CA B ALA X 20 229 ? 20.854 -7.690 31.737 0.60 70.65 ? 240 ALA d CA 1 ? ? +39728 ATOM C C A ALA X 20 229 ? 19.597 -7.986 30.868 0.40 66.47 ? 240 ALA d C 1 ? ? +39729 ATOM C C B ALA X 20 229 ? 19.639 -7.928 30.844 0.60 69.68 ? 240 ALA d C 1 ? ? +39730 ATOM O O A ALA X 20 229 ? 19.769 -8.340 29.706 0.40 65.89 ? 240 ALA d O 1 ? ? +39731 ATOM O O B ALA X 20 229 ? 19.796 -8.184 29.654 0.60 69.08 ? 240 ALA d O 1 ? ? +39732 ATOM C CB A ALA X 20 229 ? 21.175 -8.981 32.527 0.40 67.89 ? 240 ALA d CB 1 ? ? +39733 ATOM C CB B ALA X 20 229 ? 21.218 -8.969 32.469 0.60 71.10 ? 240 ALA d CB 1 ? ? +39734 ATOM N N A GLU X 20 230 ? 18.385 -7.811 31.415 0.40 66.43 ? 241 GLU d N 1 ? ? +39735 ATOM N N B GLU X 20 230 ? 18.435 -7.826 31.424 0.60 69.65 ? 241 GLU d N 1 ? ? +39736 ATOM C CA A GLU X 20 230 ? 17.159 -8.185 30.727 0.40 65.65 ? 241 GLU d CA 1 ? ? +39737 ATOM C CA B GLU X 20 230 ? 17.204 -8.211 30.747 0.60 68.75 ? 241 GLU d CA 1 ? ? +39738 ATOM C C A GLU X 20 230 ? 16.700 -7.163 29.692 0.40 64.34 ? 241 GLU d C 1 ? ? +39739 ATOM C C B GLU X 20 230 ? 16.729 -7.195 29.711 0.60 66.85 ? 241 GLU d C 1 ? ? +39740 ATOM O O A GLU X 20 230 ? 16.838 -5.961 29.890 0.40 64.40 ? 241 GLU d O 1 ? ? +39741 ATOM O O B GLU X 20 230 ? 16.852 -5.989 29.907 0.60 66.83 ? 241 GLU d O 1 ? ? +39742 ATOM C CB A GLU X 20 230 ? 16.021 -8.381 31.740 0.40 66.46 ? 241 GLU d CB 1 ? ? +39743 ATOM C CB B GLU X 20 230 ? 16.065 -8.421 31.759 0.60 69.99 ? 241 GLU d CB 1 ? ? +39744 ATOM C CG A GLU X 20 230 ? 16.289 -9.469 32.759 0.40 67.49 ? 241 GLU d CG 1 ? ? +39745 ATOM C CG B GLU X 20 230 ? 16.304 -9.542 32.758 0.60 71.45 ? 241 GLU d CG 1 ? ? +39746 ATOM C CD A GLU X 20 230 ? 17.121 -9.057 33.956 0.40 68.63 ? 241 GLU d CD 1 ? ? +39747 ATOM C CD B GLU X 20 230 ? 17.169 -9.186 33.950 0.60 73.06 ? 241 GLU d CD 1 ? ? +39748 ATOM O OE1 A GLU X 20 230 ? 17.715 -7.952 33.934 0.40 68.88 ? 241 GLU d OE1 1 ? ? +39749 ATOM O OE1 B GLU X 20 230 ? 17.787 -8.093 33.945 0.60 73.65 ? 241 GLU d OE1 1 ? ? +39750 ATOM O OE2 A GLU X 20 230 ? 17.161 -9.842 34.931 0.40 69.58 ? 241 GLU d OE2 1 ? ? +39751 ATOM O OE2 B GLU X 20 230 ? 17.214 -9.999 34.903 0.60 74.40 ? 241 GLU d OE2 1 ? ? +39752 ATOM N N A GLU X 20 231 ? 16.129 -7.666 28.594 0.40 63.09 ? 242 GLU d N 1 ? ? +39753 ATOM N N B GLU X 20 231 ? 16.160 -7.705 28.614 0.60 65.13 ? 242 GLU d N 1 ? ? +39754 ATOM C CA A GLU X 20 231 ? 15.454 -6.827 27.620 0.40 62.04 ? 242 GLU d CA 1 ? ? +39755 ATOM C CA B GLU X 20 231 ? 15.468 -6.874 27.642 0.60 63.74 ? 242 GLU d CA 1 ? ? +39756 ATOM C C A GLU X 20 231 ? 14.362 -6.027 28.327 0.40 61.62 ? 242 GLU d C 1 ? ? +39757 ATOM C C B GLU X 20 231 ? 14.354 -6.086 28.332 0.60 62.84 ? 242 GLU d C 1 ? ? +39758 ATOM O O A GLU X 20 231 ? 13.752 -6.506 29.279 0.40 61.95 ? 242 GLU d O 1 ? ? +39759 ATOM O O B GLU X 20 231 ? 13.747 -6.567 29.285 0.60 63.08 ? 242 GLU d O 1 ? ? +39760 ATOM C CB A GLU X 20 231 ? 14.883 -7.686 26.474 0.40 61.57 ? 242 GLU d CB 1 ? ? +39761 ATOM C CB B GLU X 20 231 ? 14.924 -7.729 26.474 0.60 63.40 ? 242 GLU d CB 1 ? ? +39762 ATOM C CG A GLU X 20 231 ? 13.898 -8.758 26.924 0.40 61.92 ? 242 GLU d CG 1 ? ? +39763 ATOM C CG B GLU X 20 231 ? 13.901 -8.793 26.859 0.60 63.87 ? 242 GLU d CG 1 ? ? +39764 ATOM C CD A GLU X 20 231 ? 13.179 -9.495 25.804 0.40 61.48 ? 242 GLU d CD 1 ? ? +39765 ATOM C CD B GLU X 20 231 ? 13.308 -9.579 25.695 0.60 63.57 ? 242 GLU d CD 1 ? ? +39766 ATOM O OE1 A GLU X 20 231 ? 13.541 -9.297 24.620 0.40 61.04 ? 242 GLU d OE1 1 ? ? +39767 ATOM O OE1 B GLU X 20 231 ? 13.727 -9.362 24.531 0.60 63.32 ? 242 GLU d OE1 1 ? ? +39768 ATOM O OE2 A GLU X 20 231 ? 12.235 -10.258 26.116 0.40 61.68 ? 242 GLU d OE2 1 ? ? +39769 ATOM O OE2 B GLU X 20 231 ? 12.405 -10.409 25.952 0.60 63.81 ? 242 GLU d OE2 1 ? ? +39770 ATOM N N A THR X 20 232 ? 14.143 -4.793 27.859 0.40 60.74 ? 243 THR d N 1 ? ? +39771 ATOM N N B THR X 20 232 ? 14.124 -4.858 27.850 0.60 61.56 ? 243 THR d N 1 ? ? +39772 ATOM C CA A THR X 20 232 ? 13.236 -3.866 28.513 0.40 60.63 ? 243 THR d CA 1 ? ? +39773 ATOM C CA B THR X 20 232 ? 13.220 -3.919 28.490 0.60 61.22 ? 243 THR d CA 1 ? ? +39774 ATOM C C A THR X 20 232 ? 11.817 -3.991 27.958 0.40 59.98 ? 243 THR d C 1 ? ? +39775 ATOM C C B THR X 20 232 ? 11.807 -3.988 27.905 0.60 60.43 ? 243 THR d C 1 ? ? +39776 ATOM O O A THR X 20 232 ? 10.860 -3.500 28.559 0.40 60.19 ? 243 THR d O 1 ? ? +39777 ATOM O O B THR X 20 232 ? 10.871 -3.405 28.454 0.60 60.54 ? 243 THR d O 1 ? ? +39778 ATOM C CB A THR X 20 232 ? 13.785 -2.448 28.374 0.40 60.53 ? 243 THR d CB 1 ? ? +39779 ATOM C CB B THR X 20 232 ? 13.817 -2.526 28.386 0.60 61.09 ? 243 THR d CB 1 ? ? +39780 ATOM O OG1 A THR X 20 232 ? 13.141 -1.605 29.324 0.40 61.01 ? 243 THR d OG1 1 ? ? +39781 ATOM O OG1 B THR X 20 232 ? 13.251 -1.710 29.403 0.60 61.63 ? 243 THR d OG1 1 ? ? +39782 ATOM C CG2 A THR X 20 232 ? 13.606 -1.896 26.979 0.40 59.80 ? 243 THR d CG2 1 ? ? +39783 ATOM C CG2 B THR X 20 232 ? 13.601 -1.896 27.025 0.60 60.37 ? 243 THR d CG2 1 ? ? +39784 ATOM N N A TYR X 20 233 ? 11.702 -4.653 26.800 0.40 59.06 ? 244 TYR d N 1 ? ? +39785 ATOM N N B TYR X 20 233 ? 11.676 -4.692 26.774 0.60 59.37 ? 244 TYR d N 1 ? ? +39786 ATOM C CA A TYR X 20 233 ? 10.421 -4.900 26.160 0.40 58.41 ? 244 TYR d CA 1 ? ? +39787 ATOM C CA B TYR X 20 233 ? 10.393 -4.924 26.135 0.60 58.60 ? 244 TYR d CA 1 ? ? +39788 ATOM C C A TYR X 20 233 ? 10.343 -6.356 25.717 0.40 58.05 ? 244 TYR d C 1 ? ? +39789 ATOM C C B TYR X 20 233 ? 10.328 -6.383 25.700 0.60 58.24 ? 244 TYR d C 1 ? ? +39790 ATOM O O A TYR X 20 233 ? 11.364 -7.040 25.646 0.40 58.06 ? 244 TYR d O 1 ? ? +39791 ATOM O O B TYR X 20 233 ? 11.365 -7.040 25.594 0.60 58.24 ? 244 TYR d O 1 ? ? +39792 ATOM C CB A TYR X 20 233 ? 10.218 -3.990 24.956 0.40 57.74 ? 244 TYR d CB 1 ? ? +39793 ATOM C CB B TYR X 20 233 ? 10.207 -4.004 24.941 0.60 57.87 ? 244 TYR d CB 1 ? ? +39794 ATOM C CG A TYR X 20 233 ? 11.147 -4.288 23.801 0.40 57.18 ? 244 TYR d CG 1 ? ? +39795 ATOM C CG B TYR X 20 233 ? 11.113 -4.318 23.770 0.60 57.27 ? 244 TYR d CG 1 ? ? +39796 ATOM C CD1 A TYR X 20 233 ? 12.470 -3.863 23.816 0.40 57.28 ? 244 TYR d CD1 1 ? ? +39797 ATOM C CD1 B TYR X 20 233 ? 12.438 -3.892 23.751 0.60 57.36 ? 244 TYR d CD1 1 ? ? +39798 ATOM C CD2 A TYR X 20 233 ? 10.706 -4.998 22.695 0.40 56.55 ? 244 TYR d CD2 1 ? ? +39799 ATOM C CD2 B TYR X 20 233 ? 10.649 -5.045 22.683 0.60 56.62 ? 244 TYR d CD2 1 ? ? +39800 ATOM C CE1 A TYR X 20 233 ? 13.325 -4.132 22.754 0.40 56.79 ? 244 TYR d CE1 1 ? ? +39801 ATOM C CE1 B TYR X 20 233 ? 13.271 -4.173 22.670 0.60 56.83 ? 244 TYR d CE1 1 ? ? +39802 ATOM C CE2 A TYR X 20 233 ? 11.550 -5.272 21.629 0.40 56.08 ? 244 TYR d CE2 1 ? ? +39803 ATOM C CE2 B TYR X 20 233 ? 11.470 -5.333 21.602 0.60 56.13 ? 244 TYR d CE2 1 ? ? +39804 ATOM C CZ A TYR X 20 233 ? 12.861 -4.839 21.661 0.40 56.21 ? 244 TYR d CZ 1 ? ? +39805 ATOM C CZ B TYR X 20 233 ? 12.782 -4.899 21.598 0.60 56.25 ? 244 TYR d CZ 1 ? ? +39806 ATOM O OH A TYR X 20 233 ? 13.699 -5.110 20.605 0.40 55.82 ? 244 TYR d OH 1 ? ? +39807 ATOM O OH B TYR X 20 233 ? 13.582 -5.187 20.516 0.60 55.86 ? 244 TYR d OH 1 ? ? +39808 ATOM N N A SER X 20 234 ? 9.121 -6.814 25.420 0.40 57.68 ? 245 SER d N 1 ? ? +39809 ATOM N N B SER X 20 234 ? 9.105 -6.876 25.455 0.60 57.84 ? 245 SER d N 1 ? ? +39810 ATOM C CA A SER X 20 234 ? 8.890 -8.205 25.072 0.40 57.38 ? 245 SER d CA 1 ? ? +39811 ATOM C CA B SER X 20 234 ? 8.893 -8.268 25.094 0.60 57.51 ? 245 SER d CA 1 ? ? +39812 ATOM C C A SER X 20 234 ? 8.955 -8.442 23.569 0.40 56.55 ? 245 SER d C 1 ? ? +39813 ATOM C C B SER X 20 234 ? 8.946 -8.505 23.591 0.60 56.67 ? 245 SER d C 1 ? ? +39814 ATOM O O A SER X 20 234 ? 8.094 -7.987 22.822 0.40 56.30 ? 245 SER d O 1 ? ? +39815 ATOM O O B SER X 20 234 ? 8.049 -8.090 22.864 0.60 56.50 ? 245 SER d O 1 ? ? +39816 ATOM C CB A SER X 20 234 ? 7.539 -8.684 25.576 0.40 57.64 ? 245 SER d CB 1 ? ? +39817 ATOM C CB B SER X 20 234 ? 7.552 -8.771 25.594 0.60 57.77 ? 245 SER d CB 1 ? ? +39818 ATOM O OG A SER X 20 234 ? 7.309 -10.001 25.105 0.40 57.44 ? 245 SER d OG 1 ? ? +39819 ATOM O OG B SER X 20 234 ? 7.320 -10.065 25.060 0.60 57.55 ? 245 SER d OG 1 ? ? +39820 ATOM N N A MET X 20 235 ? 9.975 -9.185 23.145 0.40 56.23 ? 246 MET d N 1 ? ? +39821 ATOM N N B MET X 20 235 ? 9.979 -9.215 23.141 0.60 56.32 ? 246 MET d N 1 ? ? +39822 ATOM C CA A MET X 20 235 ? 10.150 -9.512 21.743 0.40 55.45 ? 246 MET d CA 1 ? ? +39823 ATOM C CA B MET X 20 235 ? 10.121 -9.556 21.737 0.60 55.53 ? 246 MET d CA 1 ? ? +39824 ATOM C C A MET X 20 235 ? 9.089 -10.526 21.327 0.40 55.19 ? 246 MET d C 1 ? ? +39825 ATOM C C B MET X 20 235 ? 9.013 -10.518 21.322 0.60 55.25 ? 246 MET d C 1 ? ? +39826 ATOM O O A MET X 20 235 ? 8.667 -10.549 20.176 0.40 54.61 ? 246 MET d O 1 ? ? +39827 ATOM O O B MET X 20 235 ? 8.530 -10.453 20.199 0.60 54.70 ? 246 MET d O 1 ? ? +39828 ATOM C CB A MET X 20 235 ? 11.552 -10.081 21.527 0.40 55.39 ? 246 MET d CB 1 ? ? +39829 ATOM C CB B MET X 20 235 ? 11.489 -10.205 21.507 0.60 55.47 ? 246 MET d CB 1 ? ? +39830 ATOM C CG A MET X 20 235 ? 11.884 -10.352 20.113 0.40 54.75 ? 246 MET d CG 1 ? ? +39831 ATOM C CG B MET X 20 235 ? 11.825 -10.440 20.078 0.60 54.82 ? 246 MET d CG 1 ? ? +39832 ATOM S SD A MET X 20 235 ? 12.148 -8.814 19.226 0.40 54.41 ? 246 MET d SD 1 ? ? +39833 ATOM S SD B MET X 20 235 ? 12.239 -8.894 19.258 0.60 54.55 ? 246 MET d SD 1 ? ? +39834 ATOM C CE A MET X 20 235 ? 12.457 -9.445 17.608 0.40 53.68 ? 246 MET d CE 1 ? ? +39835 ATOM C CE B MET X 20 235 ? 12.633 -9.504 17.603 0.60 53.77 ? 246 MET d CE 1 ? ? +39836 ATOM N N A VAL X 20 236 ? 8.669 -11.364 22.281 0.40 55.64 ? 247 VAL d N 1 ? ? +39837 ATOM N N B VAL X 20 236 ? 8.638 -11.416 22.242 0.60 55.73 ? 247 VAL d N 1 ? ? +39838 ATOM C CA A VAL X 20 236 ? 7.694 -12.411 22.022 0.40 55.57 ? 247 VAL d CA 1 ? ? +39839 ATOM C CA B VAL X 20 236 ? 7.666 -12.465 21.977 0.60 55.67 ? 247 VAL d CA 1 ? ? +39840 ATOM C C A VAL X 20 236 ? 6.317 -11.811 21.745 0.40 55.42 ? 247 VAL d C 1 ? ? +39841 ATOM C C B VAL X 20 236 ? 6.267 -11.893 21.755 0.60 55.54 ? 247 VAL d C 1 ? ? +39842 ATOM O O A VAL X 20 236 ? 5.639 -12.213 20.800 0.40 55.01 ? 247 VAL d O 1 ? ? +39843 ATOM O O B VAL X 20 236 ? 5.556 -12.333 20.853 0.60 55.15 ? 247 VAL d O 1 ? ? +39844 ATOM C CB A VAL X 20 236 ? 7.637 -13.422 23.193 0.40 56.20 ? 247 VAL d CB 1 ? ? +39845 ATOM C CB B VAL X 20 236 ? 7.663 -13.514 23.122 0.60 56.33 ? 247 VAL d CB 1 ? ? +39846 ATOM C CG1 A VAL X 20 236 ? 6.452 -14.367 23.045 0.40 56.25 ? 247 VAL d CG1 1 ? ? +39847 ATOM C CG1 B VAL X 20 236 ? 6.489 -14.478 22.992 0.60 56.39 ? 247 VAL d CG1 1 ? ? +39848 ATOM C CG2 A VAL X 20 236 ? 8.946 -14.200 23.319 0.40 56.30 ? 247 VAL d CG2 1 ? ? +39849 ATOM C CG2 B VAL X 20 236 ? 8.989 -14.278 23.182 0.60 56.39 ? 247 VAL d CG2 1 ? ? +39850 ATOM N N A THR X 20 237 ? 5.916 -10.840 22.572 0.40 55.76 ? 248 THR d N 1 ? ? +39851 ATOM N N B THR X 20 237 ? 5.880 -10.917 22.584 0.60 55.86 ? 248 THR d N 1 ? ? +39852 ATOM C CA A THR X 20 237 ? 4.632 -10.184 22.403 0.40 55.70 ? 248 THR d CA 1 ? ? +39853 ATOM C CA B THR X 20 237 ? 4.599 -10.253 22.417 0.60 55.80 ? 248 THR d CA 1 ? ? +39854 ATOM C C A THR X 20 237 ? 4.629 -9.333 21.135 0.40 55.11 ? 248 THR d C 1 ? ? +39855 ATOM C C B THR X 20 237 ? 4.611 -9.386 21.158 0.60 55.20 ? 248 THR d C 1 ? ? +39856 ATOM O O A THR X 20 237 ? 3.650 -9.326 20.386 0.40 54.86 ? 248 THR d O 1 ? ? +39857 ATOM O O B THR X 20 237 ? 3.600 -9.297 20.455 0.60 55.00 ? 248 THR d O 1 ? ? +39858 ATOM C CB A THR X 20 237 ? 4.285 -9.373 23.640 0.40 56.24 ? 248 THR d CB 1 ? ? +39859 ATOM C CB B THR X 20 237 ? 4.226 -9.485 23.680 0.60 56.34 ? 248 THR d CB 1 ? ? +39860 ATOM O OG1 A THR X 20 237 ? 4.012 -10.281 24.703 0.40 56.77 ? 248 THR d OG1 1 ? ? +39861 ATOM O OG1 B THR X 20 237 ? 3.958 -10.433 24.707 0.60 56.84 ? 248 THR d OG1 1 ? ? +39862 ATOM C CG2 A THR X 20 237 ? 3.090 -8.468 23.416 0.40 56.21 ? 248 THR d CG2 1 ? ? +39863 ATOM C CG2 B THR X 20 237 ? 3.004 -8.608 23.489 0.60 56.35 ? 248 THR d CG2 1 ? ? +39864 ATOM N N A ALA X 20 238 ? 5.734 -8.616 20.906 0.40 54.89 ? 249 ALA d N 1 ? ? +39865 ATOM N N B ALA X 20 238 ? 5.763 -8.761 20.876 0.60 54.92 ? 249 ALA d N 1 ? ? +39866 ATOM C CA A ALA X 20 238 ? 5.888 -7.825 19.698 0.40 54.30 ? 249 ALA d CA 1 ? ? +39867 ATOM C CA B ALA X 20 238 ? 5.905 -7.922 19.696 0.60 54.31 ? 249 ALA d CA 1 ? ? +39868 ATOM C C A ALA X 20 238 ? 5.705 -8.704 18.465 0.40 53.76 ? 249 ALA d C 1 ? ? +39869 ATOM C C B ALA X 20 238 ? 5.770 -8.736 18.411 0.60 53.72 ? 249 ALA d C 1 ? ? +39870 ATOM O O A ALA X 20 238 ? 4.985 -8.341 17.537 0.40 53.39 ? 249 ALA d O 1 ? ? +39871 ATOM O O B ALA X 20 238 ? 5.149 -8.289 17.449 0.60 53.32 ? 249 ALA d O 1 ? ? +39872 ATOM C CB A ALA X 20 238 ? 7.252 -7.150 19.675 0.40 54.24 ? 249 ALA d CB 1 ? ? +39873 ATOM C CB B ALA X 20 238 ? 7.241 -7.192 19.721 0.60 54.27 ? 249 ALA d CB 1 ? ? +39874 ATOM N N A ASN X 20 239 ? 6.360 -9.870 18.475 0.40 53.73 ? 250 ASN d N 1 ? ? +39875 ATOM N N B ASN X 20 239 ? 6.365 -9.935 18.411 0.60 53.67 ? 250 ASN d N 1 ? ? +39876 ATOM C CA A ASN X 20 239 ? 6.321 -10.783 17.345 0.40 53.23 ? 250 ASN d CA 1 ? ? +39877 ATOM C CA B ASN X 20 239 ? 6.305 -10.830 17.266 0.60 53.16 ? 250 ASN d CA 1 ? ? +39878 ATOM C C A ASN X 20 239 ? 4.903 -11.274 17.067 0.40 53.14 ? 250 ASN d C 1 ? ? +39879 ATOM C C B ASN X 20 239 ? 4.888 -11.336 16.995 0.60 52.99 ? 250 ASN d C 1 ? ? +39880 ATOM O O A ASN X 20 239 ? 4.482 -11.331 15.917 0.40 52.65 ? 250 ASN d O 1 ? ? +39881 ATOM O O B ASN X 20 239 ? 4.489 -11.479 15.844 0.60 52.49 ? 250 ASN d O 1 ? ? +39882 ATOM C CB A ASN X 20 239 ? 7.269 -11.962 17.565 0.40 53.33 ? 250 ASN d CB 1 ? ? +39883 ATOM C CB B ASN X 20 239 ? 7.263 -12.002 17.464 0.60 53.27 ? 250 ASN d CB 1 ? ? +39884 ATOM C CG A ASN X 20 239 ? 7.182 -13.019 16.483 0.40 52.95 ? 250 ASN d CG 1 ? ? +39885 ATOM C CG B ASN X 20 239 ? 7.013 -13.170 16.533 0.60 53.00 ? 250 ASN d CG 1 ? ? +39886 ATOM O OD1 A ASN X 20 239 ? 6.341 -13.920 16.528 0.40 53.13 ? 250 ASN d OD1 1 ? ? +39887 ATOM O OD1 B ASN X 20 239 ? 6.103 -13.981 16.756 0.60 53.32 ? 250 ASN d OD1 1 ? ? +39888 ATOM N ND2 A ASN X 20 239 ? 8.070 -12.962 15.501 0.40 52.49 ? 250 ASN d ND2 1 ? ? +39889 ATOM N ND2 B ASN X 20 239 ? 7.823 -13.317 15.496 0.60 52.55 ? 250 ASN d ND2 1 ? ? +39890 ATOM N N A ARG X 20 240 ? 4.165 -11.625 18.123 0.40 53.65 ? 251 ARG d N 1 ? ? +39891 ATOM N N B ARG X 20 240 ? 4.134 -11.625 18.056 0.60 53.47 ? 251 ARG d N 1 ? ? +39892 ATOM C CA A ARG X 20 240 ? 2.810 -12.115 17.942 0.40 53.68 ? 251 ARG d CA 1 ? ? +39893 ATOM C CA B ARG X 20 240 ? 2.782 -12.122 17.880 0.60 53.47 ? 251 ARG d CA 1 ? ? +39894 ATOM C C A ARG X 20 240 ? 1.918 -11.011 17.384 0.40 53.37 ? 251 ARG d C 1 ? ? +39895 ATOM C C B ARG X 20 240 ? 1.899 -11.019 17.308 0.60 53.12 ? 251 ARG d C 1 ? ? +39896 ATOM O O A ARG X 20 240 ? 1.173 -11.237 16.436 0.40 53.11 ? 251 ARG d O 1 ? ? +39897 ATOM O O B ARG X 20 240 ? 1.162 -11.250 16.354 0.60 52.87 ? 251 ARG d O 1 ? ? +39898 ATOM C CB A ARG X 20 240 ? 2.207 -12.648 19.237 0.40 54.41 ? 251 ARG d CB 1 ? ? +39899 ATOM C CB B ARG X 20 240 ? 2.175 -12.645 19.181 0.60 54.21 ? 251 ARG d CB 1 ? ? +39900 ATOM C CG A ARG X 20 240 ? 1.051 -13.566 18.933 0.40 54.54 ? 251 ARG d CG 1 ? ? +39901 ATOM C CG B ARG X 20 240 ? 0.950 -13.476 18.880 0.60 54.36 ? 251 ARG d CG 1 ? ? +39902 ATOM C CD A ARG X 20 240 ? 0.240 -13.917 20.136 0.40 55.32 ? 251 ARG d CD 1 ? ? +39903 ATOM C CD B ARG X 20 240 ? 0.352 -14.127 20.083 0.60 55.15 ? 251 ARG d CD 1 ? ? +39904 ATOM N NE A ARG X 20 240 ? -0.883 -14.772 19.768 0.40 55.45 ? 251 ARG d NE 1 ? ? +39905 ATOM N NE B ARG X 20 240 ? -0.797 -14.951 19.716 0.60 55.30 ? 251 ARG d NE 1 ? ? +39906 ATOM C CZ A ARG X 20 240 ? -0.874 -16.093 19.869 0.40 55.67 ? 251 ARG d CZ 1 ? ? +39907 ATOM C CZ B ARG X 20 240 ? -0.840 -16.274 19.810 0.60 55.55 ? 251 ARG d CZ 1 ? ? +39908 ATOM N NH1 A ARG X 20 240 ? 0.256 -16.771 19.979 0.40 55.65 ? 251 ARG d NH1 1 ? ? +39909 ATOM N NH1 B ARG X 20 240 ? 0.259 -16.996 19.949 0.60 55.57 ? 251 ARG d NH1 1 ? ? +39910 ATOM N NH2 A ARG X 20 240 ? -2.027 -16.754 19.835 0.40 55.96 ? 251 ARG d NH2 1 ? ? +39911 ATOM N NH2 B ARG X 20 240 ? -2.016 -16.890 19.741 0.60 55.83 ? 251 ARG d NH2 1 ? ? +39912 ATOM N N A PHE X 20 241 ? 2.008 -9.818 17.978 0.40 53.45 ? 252 PHE d N 1 ? ? +39913 ATOM N N B PHE X 20 241 ? 1.987 -9.826 17.902 0.60 53.14 ? 252 PHE d N 1 ? ? +39914 ATOM C CA A PHE X 20 241 ? 1.242 -8.673 17.519 0.40 53.19 ? 252 PHE d CA 1 ? ? +39915 ATOM C CA B PHE X 20 241 ? 1.212 -8.684 17.453 0.60 52.85 ? 252 PHE d CA 1 ? ? +39916 ATOM C C A PHE X 20 241 ? 1.361 -8.499 16.007 0.40 52.48 ? 252 PHE d C 1 ? ? +39917 ATOM C C B PHE X 20 241 ? 1.346 -8.481 15.948 0.60 52.13 ? 252 PHE d C 1 ? ? +39918 ATOM O O A PHE X 20 241 ? 0.356 -8.502 15.300 0.40 52.34 ? 252 PHE d O 1 ? ? +39919 ATOM O O B PHE X 20 241 ? 0.348 -8.421 15.233 0.60 51.99 ? 252 PHE d O 1 ? ? +39920 ATOM C CB A PHE X 20 241 ? 1.710 -7.394 18.221 0.40 53.40 ? 252 PHE d CB 1 ? ? +39921 ATOM C CB B PHE X 20 241 ? 1.674 -7.421 18.175 0.60 53.06 ? 252 PHE d CB 1 ? ? +39922 ATOM C CG A PHE X 20 241 ? 1.018 -6.136 17.751 0.40 53.22 ? 252 PHE d CG 1 ? ? +39923 ATOM C CG B PHE X 20 241 ? 0.994 -6.151 17.732 0.60 52.87 ? 252 PHE d CG 1 ? ? +39924 ATOM C CD1 A PHE X 20 241 ? -0.251 -5.814 18.201 0.40 53.54 ? 252 PHE d CD1 1 ? ? +39925 ATOM C CD1 B PHE X 20 241 ? -0.246 -5.799 18.234 0.60 53.20 ? 252 PHE d CD1 1 ? ? +39926 ATOM C CD2 A PHE X 20 241 ? 1.631 -5.284 16.847 0.40 52.75 ? 252 PHE d CD2 1 ? ? +39927 ATOM C CD2 B PHE X 20 241 ? 1.590 -5.316 16.802 0.60 52.38 ? 252 PHE d CD2 1 ? ? +39928 ATOM C CE1 A PHE X 20 241 ? -0.882 -4.656 17.771 0.40 53.44 ? 252 PHE d CE1 1 ? ? +39929 ATOM C CE1 B PHE X 20 241 ? -0.862 -4.622 17.835 0.60 53.11 ? 252 PHE d CE1 1 ? ? +39930 ATOM C CE2 A PHE X 20 241 ? 0.997 -4.131 16.417 0.40 52.66 ? 252 PHE d CE2 1 ? ? +39931 ATOM C CE2 B PHE X 20 241 ? 0.971 -4.146 16.400 0.60 52.28 ? 252 PHE d CE2 1 ? ? +39932 ATOM C CZ A PHE X 20 241 ? -0.256 -3.822 16.883 0.40 53.00 ? 252 PHE d CZ 1 ? ? +39933 ATOM C CZ B PHE X 20 241 ? -0.251 -3.802 16.921 0.60 52.65 ? 252 PHE d CZ 1 ? ? +39934 ATOM N N A TRP X 20 242 ? 2.600 -8.344 15.525 0.40 52.02 ? 253 TRP d N 1 ? ? +39935 ATOM N N B TRP X 20 242 ? 2.593 -8.370 15.481 0.60 51.65 ? 253 TRP d N 1 ? ? +39936 ATOM C CA A TRP X 20 242 ? 2.849 -8.042 14.125 0.40 51.34 ? 253 TRP d CA 1 ? ? +39937 ATOM C CA B TRP X 20 242 ? 2.856 -8.057 14.089 0.60 50.96 ? 253 TRP d CA 1 ? ? +39938 ATOM C C A TRP X 20 242 ? 2.510 -9.208 13.201 0.40 50.98 ? 253 TRP d C 1 ? ? +39939 ATOM C C B TRP X 20 242 ? 2.524 -9.223 13.165 0.60 50.62 ? 253 TRP d C 1 ? ? +39940 ATOM O O A TRP X 20 242 ? 2.011 -8.999 12.100 0.40 50.58 ? 253 TRP d O 1 ? ? +39941 ATOM O O B TRP X 20 242 ? 2.096 -9.007 12.035 0.60 50.21 ? 253 TRP d O 1 ? ? +39942 ATOM C CB A TRP X 20 242 ? 4.310 -7.567 13.929 0.40 51.08 ? 253 TRP d CB 1 ? ? +39943 ATOM C CB B TRP X 20 242 ? 4.325 -7.584 13.898 0.60 50.69 ? 253 TRP d CB 1 ? ? +39944 ATOM C CG A TRP X 20 242 ? 4.496 -6.156 14.393 0.40 51.22 ? 253 TRP d CG 1 ? ? +39945 ATOM C CG B TRP X 20 242 ? 4.525 -6.177 14.359 0.60 50.80 ? 253 TRP d CG 1 ? ? +39946 ATOM C CD1 A TRP X 20 242 ? 5.288 -5.719 15.410 0.40 51.57 ? 253 TRP d CD1 1 ? ? +39947 ATOM C CD1 B TRP X 20 242 ? 5.328 -5.748 15.366 0.60 51.13 ? 253 TRP d CD1 1 ? ? +39948 ATOM C CD2 A TRP X 20 242 ? 3.819 -5.000 13.884 0.40 51.08 ? 253 TRP d CD2 1 ? ? +39949 ATOM C CD2 B TRP X 20 242 ? 3.841 -5.014 13.868 0.60 50.65 ? 253 TRP d CD2 1 ? ? +39950 ATOM N NE1 A TRP X 20 242 ? 5.162 -4.358 15.553 0.40 51.65 ? 253 TRP d NE1 1 ? ? +39951 ATOM N NE1 B TRP X 20 242 ? 5.215 -4.387 15.516 0.60 51.21 ? 253 TRP d NE1 1 ? ? +39952 ATOM C CE2 A TRP X 20 242 ? 4.265 -3.892 14.628 0.40 51.36 ? 253 TRP d CE2 1 ? ? +39953 ATOM C CE2 B TRP X 20 242 ? 4.306 -3.911 14.609 0.60 50.92 ? 253 TRP d CE2 1 ? ? +39954 ATOM C CE3 A TRP X 20 242 ? 2.884 -4.793 12.863 0.40 50.74 ? 253 TRP d CE3 1 ? ? +39955 ATOM C CE3 B TRP X 20 242 ? 2.882 -4.797 12.866 0.60 50.31 ? 253 TRP d CE3 1 ? ? +39956 ATOM C CZ2 A TRP X 20 242 ? 3.817 -2.598 14.376 0.40 51.32 ? 253 TRP d CZ2 1 ? ? +39957 ATOM C CZ2 B TRP X 20 242 ? 3.856 -2.613 14.375 0.60 50.89 ? 253 TRP d CZ2 1 ? ? +39958 ATOM C CZ3 A TRP X 20 242 ? 2.443 -3.512 12.618 0.40 50.72 ? 253 TRP d CZ3 1 ? ? +39959 ATOM C CZ3 B TRP X 20 242 ? 2.444 -3.512 12.636 0.60 50.29 ? 253 TRP d CZ3 1 ? ? +39960 ATOM C CH2 A TRP X 20 242 ? 2.905 -2.433 13.372 0.40 51.01 ? 253 TRP d CH2 1 ? ? +39961 ATOM C CH2 B TRP X 20 242 ? 2.927 -2.437 13.388 0.60 50.57 ? 253 TRP d CH2 1 ? ? +39962 ATOM N N A SER X 20 243 ? 2.774 -10.436 13.654 0.40 51.14 ? 254 SER d N 1 ? ? +39963 ATOM N N B SER X 20 243 ? 2.732 -10.449 13.651 0.60 50.83 ? 254 SER d N 1 ? ? +39964 ATOM C CA A SER X 20 243 ? 2.385 -11.617 12.904 0.40 50.92 ? 254 SER d CA 1 ? ? +39965 ATOM C CA B SER X 20 243 ? 2.410 -11.636 12.879 0.60 50.62 ? 254 SER d CA 1 ? ? +39966 ATOM C C A SER X 20 243 ? 0.883 -11.648 12.626 0.40 50.94 ? 254 SER d C 1 ? ? +39967 ATOM C C B SER X 20 243 ? 0.918 -11.712 12.572 0.60 50.63 ? 254 SER d C 1 ? ? +39968 ATOM O O A SER X 20 243 ? 0.465 -12.020 11.534 0.40 50.52 ? 254 SER d O 1 ? ? +39969 ATOM O O B SER X 20 243 ? 0.539 -12.101 11.472 0.60 50.20 ? 254 SER d O 1 ? ? +39970 ATOM C CB A SER X 20 243 ? 2.796 -12.879 13.650 0.40 51.25 ? 254 SER d CB 1 ? ? +39971 ATOM C CB B SER X 20 243 ? 2.855 -12.895 13.609 0.60 50.96 ? 254 SER d CB 1 ? ? +39972 ATOM O OG A SER X 20 243 ? 4.195 -12.896 13.875 0.40 51.26 ? 254 SER d OG 1 ? ? +39973 ATOM O OG B SER X 20 243 ? 4.267 -13.005 13.602 0.60 50.88 ? 254 SER d OG 1 ? ? +39974 ATOM N N A GLN X 20 244 ? 0.083 -11.251 13.622 0.40 51.42 ? 255 GLN d N 1 ? ? +39975 ATOM N N B GLN X 20 244 ? 0.101 -11.316 13.555 0.60 51.12 ? 255 GLN d N 1 ? ? +39976 ATOM C CA A GLN X 20 244 ? -1.367 -11.303 13.517 0.40 51.60 ? 255 GLN d CA 1 ? ? +39977 ATOM C CA B GLN X 20 244 ? -1.347 -11.348 13.446 0.60 51.32 ? 255 GLN d CA 1 ? ? +39978 ATOM C C A GLN X 20 244 ? -1.959 -10.070 12.840 0.40 51.33 ? 255 GLN d C 1 ? ? +39979 ATOM C C B GLN X 20 244 ? -1.908 -10.135 12.710 0.60 51.04 ? 255 GLN d C 1 ? ? +39980 ATOM O O A GLN X 20 244 ? -3.067 -10.128 12.316 0.40 51.36 ? 255 GLN d O 1 ? ? +39981 ATOM O O B GLN X 20 244 ? -2.927 -10.251 12.038 0.60 51.06 ? 255 GLN d O 1 ? ? +39982 ATOM C CB A GLN X 20 244 ? -1.994 -11.476 14.907 0.40 52.31 ? 255 GLN d CB 1 ? ? +39983 ATOM C CB B GLN X 20 244 ? -1.965 -11.451 14.843 0.60 52.04 ? 255 GLN d CB 1 ? ? +39984 ATOM C CG A GLN X 20 244 ? -1.772 -12.856 15.490 0.40 52.64 ? 255 GLN d CG 1 ? ? +39985 ATOM C CG B GLN X 20 244 ? -1.672 -12.772 15.519 0.60 52.39 ? 255 GLN d CG 1 ? ? +39986 ATOM C CD A GLN X 20 244 ? -2.420 -13.008 16.838 0.40 53.41 ? 255 GLN d CD 1 ? ? +39987 ATOM C CD B GLN X 20 244 ? -2.474 -12.930 16.776 0.60 53.17 ? 255 GLN d CD 1 ? ? +39988 ATOM O OE1 A GLN X 20 244 ? -1.883 -12.603 17.862 0.40 53.80 ? 255 GLN d OE1 1 ? ? +39989 ATOM O OE1 B GLN X 20 244 ? -2.288 -12.215 17.755 0.60 53.58 ? 255 GLN d OE1 1 ? ? +39990 ATOM N NE2 A GLN X 20 244 ? -3.590 -13.616 16.877 0.40 53.73 ? 255 GLN d NE2 1 ? ? +39991 ATOM N NE2 B GLN X 20 244 ? -3.407 -13.864 16.784 0.60 53.49 ? 255 GLN d NE2 1 ? ? +39992 ATOM N N A ILE X 20 245 ? -1.228 -8.952 12.884 0.40 51.12 ? 256 ILE d N 1 ? ? +39993 ATOM N N B ILE X 20 245 ? -1.248 -8.980 12.846 0.60 50.88 ? 256 ILE d N 1 ? ? +39994 ATOM C CA A ILE X 20 245 ? -1.667 -7.718 12.255 0.40 50.88 ? 256 ILE d CA 1 ? ? +39995 ATOM C CA B ILE X 20 245 ? -1.683 -7.755 12.193 0.60 50.63 ? 256 ILE d CA 1 ? ? +39996 ATOM C C A ILE X 20 245 ? -1.287 -7.716 10.780 0.40 50.28 ? 256 ILE d C 1 ? ? +39997 ATOM C C B ILE X 20 245 ? -1.267 -7.725 10.729 0.60 50.05 ? 256 ILE d C 1 ? ? +39998 ATOM O O A ILE X 20 245 ? -2.127 -7.477 9.920 0.40 50.08 ? 256 ILE d O 1 ? ? +39999 ATOM O O B ILE X 20 245 ? -2.081 -7.428 9.863 0.60 49.84 ? 256 ILE d O 1 ? ? +40000 ATOM C CB A ILE X 20 245 ? -1.073 -6.485 12.984 0.40 51.04 ? 256 ILE d CB 1 ? ? +40001 ATOM C CB B ILE X 20 245 ? -1.133 -6.507 12.935 0.60 50.78 ? 256 ILE d CB 1 ? ? +40002 ATOM C CG1 A ILE X 20 245 ? -1.754 -6.267 14.339 0.40 51.66 ? 256 ILE d CG1 1 ? ? +40003 ATOM C CG1 B ILE X 20 245 ? -1.860 -6.294 14.274 0.60 51.39 ? 256 ILE d CG1 1 ? ? +40004 ATOM C CG2 A ILE X 20 245 ? -1.146 -5.222 12.124 0.40 50.72 ? 256 ILE d CG2 1 ? ? +40005 ATOM C CG2 B ILE X 20 245 ? -1.184 -5.240 12.063 0.60 50.45 ? 256 ILE d CG2 1 ? ? +40006 ATOM C CD1 A ILE X 20 245 ? -3.236 -5.902 14.243 0.40 51.86 ? 256 ILE d CD1 1 ? ? +40007 ATOM C CD1 B ILE X 20 245 ? -3.325 -5.853 14.184 0.60 51.58 ? 256 ILE d CD1 1 ? ? +40008 ATOM N N A PHE X 20 246 ? -0.007 -7.998 10.512 0.40 50.05 ? 257 PHE d N 1 ? ? +40009 ATOM N N B PHE X 20 246 ? 0.022 -7.988 10.477 0.60 49.86 ? 257 PHE d N 1 ? ? +40010 ATOM C CA A PHE X 20 246 ? 0.586 -7.785 9.203 0.40 49.49 ? 257 PHE d CA 1 ? ? +40011 ATOM C CA B PHE X 20 246 ? 0.620 -7.779 9.168 0.60 49.33 ? 257 PHE d CA 1 ? ? +40012 ATOM C C A PHE X 20 246 ? 0.896 -9.075 8.446 0.40 49.25 ? 257 PHE d C 1 ? ? +40013 ATOM C C B PHE X 20 246 ? 1.008 -9.070 8.451 0.60 49.16 ? 257 PHE d C 1 ? ? +40014 ATOM O O A PHE X 20 246 ? 1.049 -9.053 7.227 0.40 48.79 ? 257 PHE d O 1 ? ? +40015 ATOM O O B PHE X 20 246 ? 1.320 -9.045 7.265 0.60 48.70 ? 257 PHE d O 1 ? ? +40016 ATOM C CB A PHE X 20 246 ? 1.859 -6.973 9.388 0.40 49.39 ? 257 PHE d CB 1 ? ? +40017 ATOM C CB B PHE X 20 246 ? 1.840 -6.887 9.337 0.60 49.23 ? 257 PHE d CB 1 ? ? +40018 ATOM C CG A PHE X 20 246 ? 2.470 -6.452 8.115 0.40 48.88 ? 257 PHE d CG 1 ? ? +40019 ATOM C CG B PHE X 20 246 ? 2.445 -6.378 8.053 0.60 48.70 ? 257 PHE d CG 1 ? ? +40020 ATOM C CD1 A PHE X 20 246 ? 1.738 -5.664 7.250 0.40 48.67 ? 257 PHE d CD1 1 ? ? +40021 ATOM C CD1 B PHE X 20 246 ? 1.693 -5.646 7.158 0.60 48.47 ? 257 PHE d CD1 1 ? ? +40022 ATOM C CD2 A PHE X 20 246 ? 3.788 -6.726 7.799 0.40 48.63 ? 257 PHE d CD2 1 ? ? +40023 ATOM C CD2 B PHE X 20 246 ? 3.775 -6.614 7.753 0.60 48.45 ? 257 PHE d CD2 1 ? ? +40024 ATOM C CE1 A PHE X 20 246 ? 2.304 -5.179 6.086 0.40 48.24 ? 257 PHE d CE1 1 ? ? +40025 ATOM C CE1 B PHE X 20 246 ? 2.251 -5.172 5.985 0.60 48.03 ? 257 PHE d CE1 1 ? ? +40026 ATOM C CE2 A PHE X 20 246 ? 4.348 -6.236 6.635 0.40 48.21 ? 257 PHE d CE2 1 ? ? +40027 ATOM C CE2 B PHE X 20 246 ? 4.327 -6.137 6.578 0.60 48.02 ? 257 PHE d CE2 1 ? ? +40028 ATOM C CZ A PHE X 20 246 ? 3.605 -5.464 5.787 0.40 48.00 ? 257 PHE d CZ 1 ? ? +40029 ATOM C CZ B PHE X 20 246 ? 3.565 -5.417 5.703 0.60 47.81 ? 257 PHE d CZ 1 ? ? +40030 ATOM N N . GLY X 20 247 ? 0.993 -10.193 9.175 1.00 49.59 ? 258 GLY d N 1 ? ? +40031 ATOM C CA . GLY X 20 247 ? 1.237 -11.493 8.576 1.00 49.62 ? 258 GLY d CA 1 ? ? +40032 ATOM C C . GLY X 20 247 ? 2.630 -12.019 8.893 1.00 49.89 ? 258 GLY d C 1 ? ? +40033 ATOM O O . GLY X 20 247 ? 2.795 -13.192 9.220 1.00 50.13 ? 258 GLY d O 1 ? ? +40034 ATOM N N A ILE X 20 248 ? 3.627 -11.136 8.777 0.40 49.80 ? 259 ILE d N 1 ? ? +40035 ATOM N N B ILE X 20 248 ? 3.625 -11.132 8.797 0.60 49.95 ? 259 ILE d N 1 ? ? +40036 ATOM C CA A ILE X 20 248 ? 4.997 -11.466 9.132 0.40 49.93 ? 259 ILE d CA 1 ? ? +40037 ATOM C CA B ILE X 20 248 ? 4.987 -11.463 9.185 0.60 50.19 ? 259 ILE d CA 1 ? ? +40038 ATOM C C A ILE X 20 248 ? 5.518 -10.507 10.198 0.40 50.27 ? 259 ILE d C 1 ? ? +40039 ATOM C C B ILE X 20 248 ? 5.505 -10.525 10.273 0.60 50.62 ? 259 ILE d C 1 ? ? +40040 ATOM O O A ILE X 20 248 ? 4.951 -9.437 10.423 0.40 50.42 ? 259 ILE d O 1 ? ? +40041 ATOM O O B ILE X 20 248 ? 4.959 -9.446 10.486 0.60 50.78 ? 259 ILE d O 1 ? ? +40042 ATOM C CB A ILE X 20 248 ? 5.878 -11.487 7.871 0.40 49.46 ? 259 ILE d CB 1 ? ? +40043 ATOM C CB B ILE X 20 248 ? 5.920 -11.445 7.966 0.60 49.77 ? 259 ILE d CB 1 ? ? +40044 ATOM C CG1 A ILE X 20 248 ? 5.952 -10.117 7.212 0.40 49.24 ? 259 ILE d CG1 1 ? ? +40045 ATOM C CG1 B ILE X 20 248 ? 5.959 -10.069 7.311 0.60 49.59 ? 259 ILE d CG1 1 ? ? +40046 ATOM C CG2 A ILE X 20 248 ? 5.396 -12.545 6.890 0.40 49.19 ? 259 ILE d CG2 1 ? ? +40047 ATOM C CG2 B ILE X 20 248 ? 5.507 -12.517 6.970 0.60 49.50 ? 259 ILE d CG2 1 ? ? +40048 ATOM C CD1 A ILE X 20 248 ? 7.244 -9.572 7.307 0.40 49.26 ? 259 ILE d CD1 1 ? ? +40049 ATOM C CD1 B ILE X 20 248 ? 7.305 -9.680 6.888 0.60 49.46 ? 259 ILE d CD1 1 ? ? +40050 ATOM N N A ALA X 20 249 ? 6.591 -10.930 10.871 0.40 50.49 ? 260 ALA d N 1 ? ? +40051 ATOM N N B ALA X 20 249 ? 6.573 -10.960 10.949 0.60 50.91 ? 260 ALA d N 1 ? ? +40052 ATOM C CA A ALA X 20 249 ? 7.181 -10.164 11.953 0.40 50.86 ? 260 ALA d CA 1 ? ? +40053 ATOM C CA B ALA X 20 249 ? 7.181 -10.196 12.022 0.60 51.34 ? 260 ALA d CA 1 ? ? +40054 ATOM C C A ALA X 20 249 ? 8.664 -10.504 12.071 0.40 50.92 ? 260 ALA d C 1 ? ? +40055 ATOM C C B ALA X 20 249 ? 8.659 -10.553 12.163 0.60 51.51 ? 260 ALA d C 1 ? ? +40056 ATOM O O A ALA X 20 249 ? 9.121 -11.535 11.585 0.40 50.77 ? 260 ALA d O 1 ? ? +40057 ATOM O O B ALA X 20 249 ? 9.100 -11.630 11.771 0.60 51.46 ? 260 ALA d O 1 ? ? +40058 ATOM C CB A ALA X 20 249 ? 6.462 -10.457 13.264 0.40 51.39 ? 260 ALA d CB 1 ? ? +40059 ATOM C CB B ALA X 20 249 ? 6.450 -10.458 13.327 0.60 51.85 ? 260 ALA d CB 1 ? ? +40060 ATOM N N A PHE X 20 250 ? 9.417 -9.619 12.721 0.40 51.17 ? 261 PHE d N 1 ? ? +40061 ATOM N N B PHE X 20 250 ? 9.430 -9.636 12.741 0.60 51.81 ? 261 PHE d N 1 ? ? +40062 ATOM C CA A PHE X 20 250 ? 10.774 -9.946 13.114 0.40 51.35 ? 261 PHE d CA 1 ? ? +40063 ATOM C CA B PHE X 20 250 ? 10.790 -9.957 13.128 0.60 52.04 ? 261 PHE d CA 1 ? ? +40064 ATOM C C A PHE X 20 250 ? 10.721 -10.971 14.242 0.40 51.76 ? 261 PHE d C 1 ? ? +40065 ATOM C C B PHE X 20 250 ? 10.734 -10.996 14.245 0.60 52.52 ? 261 PHE d C 1 ? ? +40066 ATOM O O A PHE X 20 250 ? 9.853 -10.899 15.106 0.40 52.10 ? 261 PHE d O 1 ? ? +40067 ATOM O O B PHE X 20 250 ? 9.885 -10.906 15.124 0.60 52.83 ? 261 PHE d O 1 ? ? +40068 ATOM C CB A PHE X 20 250 ? 11.530 -8.683 13.558 0.40 51.59 ? 261 PHE d CB 1 ? ? +40069 ATOM C CB B PHE X 20 250 ? 11.546 -8.688 13.577 0.60 52.28 ? 261 PHE d CB 1 ? ? +40070 ATOM C CG A PHE X 20 250 ? 11.930 -7.766 12.433 0.40 51.19 ? 261 PHE d CG 1 ? ? +40071 ATOM C CG B PHE X 20 250 ? 11.959 -7.773 12.454 0.60 51.88 ? 261 PHE d CG 1 ? ? +40072 ATOM C CD1 A PHE X 20 250 ? 13.004 -8.072 11.622 0.40 50.95 ? 261 PHE d CD1 1 ? ? +40073 ATOM C CD1 B PHE X 20 250 ? 13.006 -8.109 11.620 0.60 51.65 ? 261 PHE d CD1 1 ? ? +40074 ATOM C CD2 A PHE X 20 250 ? 11.233 -6.597 12.189 0.40 51.14 ? 261 PHE d CD2 1 ? ? +40075 ATOM C CD2 B PHE X 20 250 ? 11.298 -6.575 12.231 0.60 51.84 ? 261 PHE d CD2 1 ? ? +40076 ATOM C CE1 A PHE X 20 250 ? 13.378 -7.224 10.590 0.40 50.61 ? 261 PHE d CE1 1 ? ? +40077 ATOM C CE1 B PHE X 20 250 ? 13.391 -7.263 10.586 0.60 51.32 ? 261 PHE d CE1 1 ? ? +40078 ATOM C CE2 A PHE X 20 250 ? 11.604 -5.754 11.150 0.40 50.78 ? 261 PHE d CE2 1 ? ? +40079 ATOM C CE2 B PHE X 20 250 ? 11.678 -5.735 11.189 0.60 51.50 ? 261 PHE d CE2 1 ? ? +40080 ATOM C CZ A PHE X 20 250 ? 12.675 -6.072 10.358 0.40 50.52 ? 261 PHE d CZ 1 ? ? +40081 ATOM C CZ B PHE X 20 250 ? 12.727 -6.083 10.377 0.60 51.25 ? 261 PHE d CZ 1 ? ? +40082 ATOM N N A SER X 20 251 ? 11.654 -11.927 14.218 0.40 51.79 ? 262 SER d N 1 ? ? +40083 ATOM N N B SER X 20 251 ? 11.633 -11.987 14.186 0.60 52.64 ? 262 SER d N 1 ? ? +40084 ATOM C CA A SER X 20 251 ? 11.872 -12.811 15.350 0.40 52.26 ? 262 SER d CA 1 ? ? +40085 ATOM C CA B SER X 20 251 ? 11.911 -12.860 15.316 0.60 53.18 ? 262 SER d CA 1 ? ? +40086 ATOM C C A SER X 20 251 ? 13.300 -12.694 15.870 0.40 52.58 ? 262 SER d C 1 ? ? +40087 ATOM C C B SER X 20 251 ? 13.352 -12.766 15.805 0.60 53.62 ? 262 SER d C 1 ? ? +40088 ATOM O O A SER X 20 251 ? 13.577 -13.073 17.004 0.40 53.10 ? 262 SER d O 1 ? ? +40089 ATOM O O B SER X 20 251 ? 13.668 -13.301 16.862 0.60 54.20 ? 262 SER d O 1 ? ? +40090 ATOM C CB A SER X 20 251 ? 11.573 -14.259 14.988 0.40 52.13 ? 262 SER d CB 1 ? ? +40091 ATOM C CB B SER X 20 251 ? 11.616 -14.313 14.972 0.60 53.01 ? 262 SER d CB 1 ? ? +40092 ATOM O OG A SER X 20 251 ? 12.509 -14.766 14.056 0.40 51.70 ? 262 SER d OG 1 ? ? +40093 ATOM O OG B SER X 20 251 ? 12.501 -14.811 13.988 0.60 52.50 ? 262 SER d OG 1 ? ? +40094 ATOM N N A ASN X 20 252 ? 14.196 -12.162 15.027 0.40 52.30 ? 263 ASN d N 1 ? ? +40095 ATOM N N B ASN X 20 252 ? 14.219 -12.103 15.028 0.60 53.52 ? 263 ASN d N 1 ? ? +40096 ATOM C CA A ASN X 20 252 ? 15.602 -12.032 15.375 0.40 52.56 ? 263 ASN d CA 1 ? ? +40097 ATOM C CA B ASN X 20 252 ? 15.630 -11.993 15.368 0.60 53.86 ? 263 ASN d CA 1 ? ? +40098 ATOM C C A ASN X 20 252 ? 15.992 -10.563 15.508 0.40 52.66 ? 263 ASN d C 1 ? ? +40099 ATOM C C B ASN X 20 252 ? 16.025 -10.528 15.545 0.60 54.05 ? 263 ASN d C 1 ? ? +40100 ATOM O O A ASN X 20 252 ? 15.957 -9.809 14.539 0.40 52.24 ? 263 ASN d O 1 ? ? +40101 ATOM O O B ASN X 20 252 ? 16.039 -9.752 14.594 0.60 53.62 ? 263 ASN d O 1 ? ? +40102 ATOM C CB A ASN X 20 252 ? 16.485 -12.725 14.342 0.40 52.20 ? 263 ASN d CB 1 ? ? +40103 ATOM C CB B ASN X 20 252 ? 16.488 -12.689 14.308 0.60 53.49 ? 263 ASN d CB 1 ? ? +40104 ATOM C CG A ASN X 20 252 ? 17.942 -12.764 14.741 0.40 52.49 ? 263 ASN d CG 1 ? ? +40105 ATOM C CG B ASN X 20 252 ? 17.960 -12.779 14.675 0.60 53.76 ? 263 ASN d CG 1 ? ? +40106 ATOM O OD1 A ASN X 20 252 ? 18.583 -11.734 14.958 0.40 52.60 ? 263 ASN d OD1 1 ? ? +40107 ATOM O OD1 B ASN X 20 252 ? 18.666 -11.775 14.782 0.60 53.83 ? 263 ASN d OD1 1 ? ? +40108 ATOM N ND2 A ASN X 20 252 ? 18.492 -13.955 14.843 0.40 52.62 ? 263 ASN d ND2 1 ? ? +40109 ATOM N ND2 B ASN X 20 252 ? 18.456 -13.984 14.874 0.60 53.95 ? 263 ASN d ND2 1 ? ? +40110 ATOM N N A LYS X 20 253 ? 16.381 -10.190 16.727 0.40 53.33 ? 264 LYS d N 1 ? ? +40111 ATOM N N B LYS X 20 253 ? 16.342 -10.170 16.789 0.60 54.87 ? 264 LYS d N 1 ? ? +40112 ATOM C CA A LYS X 20 253 ? 16.678 -8.819 17.106 0.40 53.64 ? 264 LYS d CA 1 ? ? +40113 ATOM C CA B LYS X 20 253 ? 16.730 -8.822 17.172 0.60 55.36 ? 264 LYS d CA 1 ? ? +40114 ATOM C C A LYS X 20 253 ? 17.939 -8.278 16.425 0.40 53.36 ? 264 LYS d C 1 ? ? +40115 ATOM C C B LYS X 20 253 ? 17.971 -8.292 16.446 0.60 54.99 ? 264 LYS d C 1 ? ? +40116 ATOM O O A LYS X 20 253 ? 18.060 -7.075 16.189 0.40 53.29 ? 264 LYS d O 1 ? ? +40117 ATOM O O B LYS X 20 253 ? 18.096 -7.083 16.245 0.60 54.91 ? 264 LYS d O 1 ? ? +40118 ATOM C CB A LYS X 20 253 ? 16.866 -8.816 18.631 0.40 54.56 ? 264 LYS d CB 1 ? ? +40119 ATOM C CB B LYS X 20 253 ? 17.002 -8.832 18.684 0.60 56.52 ? 264 LYS d CB 1 ? ? +40120 ATOM C CG A LYS X 20 253 ? 16.146 -7.738 19.423 0.40 55.05 ? 264 LYS d CG 1 ? ? +40121 ATOM C CG B LYS X 20 253 ? 16.304 -7.762 19.492 0.60 57.21 ? 264 LYS d CG 1 ? ? +40122 ATOM C CD A LYS X 20 253 ? 16.334 -7.992 20.920 0.40 55.92 ? 264 LYS d CD 1 ? ? +40123 ATOM C CD B LYS X 20 253 ? 16.495 -8.033 20.992 0.60 58.26 ? 264 LYS d CD 1 ? ? +40124 ATOM C CE A LYS X 20 253 ? 15.631 -7.009 21.811 0.40 56.41 ? 264 LYS d CE 1 ? ? +40125 ATOM C CE B LYS X 20 253 ? 15.979 -6.940 21.885 0.60 58.94 ? 264 LYS d CE 1 ? ? +40126 ATOM N NZ A LYS X 20 253 ? 15.558 -7.521 23.212 0.40 57.18 ? 264 LYS d NZ 1 ? ? +40127 ATOM N NZ B LYS X 20 253 ? 15.825 -7.426 23.292 0.60 59.84 ? 264 LYS d NZ 1 ? ? +40128 ATOM N N A ARG X 20 254 ? 18.886 -9.177 16.123 0.40 53.19 ? 265 ARG d N 1 ? ? +40129 ATOM N N B ARG X 20 254 ? 18.901 -9.191 16.082 0.60 54.68 ? 265 ARG d N 1 ? ? +40130 ATOM C CA A ARG X 20 254 ? 20.110 -8.791 15.442 0.40 52.93 ? 265 ARG d CA 1 ? ? +40131 ATOM C CA B ARG X 20 254 ? 20.111 -8.798 15.374 0.60 54.37 ? 265 ARG d CA 1 ? ? +40132 ATOM C C A ARG X 20 254 ? 19.816 -8.500 13.973 0.40 52.07 ? 265 ARG d C 1 ? ? +40133 ATOM C C B ARG X 20 254 ? 19.815 -8.531 13.899 0.60 53.25 ? 265 ARG d C 1 ? ? +40134 ATOM O O A ARG X 20 254 ? 20.210 -7.465 13.446 0.40 51.93 ? 265 ARG d O 1 ? ? +40135 ATOM O O B ARG X 20 254 ? 20.212 -7.511 13.346 0.60 53.05 ? 265 ARG d O 1 ? ? +40136 ATOM C CB A ARG X 20 254 ? 21.183 -9.878 15.596 0.40 53.23 ? 265 ARG d CB 1 ? ? +40137 ATOM C CB B ARG X 20 254 ? 21.211 -9.864 15.525 0.60 54.84 ? 265 ARG d CB 1 ? ? +40138 ATOM C CG A ARG X 20 254 ? 21.669 -10.026 17.028 0.40 53.98 ? 265 ARG d CG 1 ? ? +40139 ATOM C CG B ARG X 20 254 ? 21.645 -10.073 16.971 0.60 55.75 ? 265 ARG d CG 1 ? ? +40140 ATOM C CD A ARG X 20 254 ? 22.621 -11.201 17.206 0.40 54.26 ? 265 ARG d CD 1 ? ? +40141 ATOM C CD B ARG X 20 254 ? 22.782 -11.066 17.118 0.60 56.17 ? 265 ARG d CD 1 ? ? +40142 ATOM N NE A ARG X 20 254 ? 23.196 -11.245 18.547 0.40 55.02 ? 265 ARG d NE 1 ? ? +40143 ATOM N NE B ARG X 20 254 ? 23.364 -11.018 18.455 0.60 57.03 ? 265 ARG d NE 1 ? ? +40144 ATOM C CZ A ARG X 20 254 ? 24.488 -11.417 18.806 0.40 55.41 ? 265 ARG d CZ 1 ? ? +40145 ATOM C CZ B ARG X 20 254 ? 24.582 -11.449 18.766 0.60 57.50 ? 265 ARG d CZ 1 ? ? +40146 ATOM N NH1 A ARG X 20 254 ? 25.321 -11.867 17.886 0.40 55.18 ? 265 ARG d NH1 1 ? ? +40147 ATOM N NH1 B ARG X 20 254 ? 25.315 -12.129 17.903 0.60 57.39 ? 265 ARG d NH1 1 ? ? +40148 ATOM N NH2 A ARG X 20 254 ? 24.952 -11.137 20.021 0.40 56.07 ? 265 ARG d NH2 1 ? ? +40149 ATOM N NH2 B ARG X 20 254 ? 25.079 -11.181 19.970 0.60 58.20 ? 265 ARG d NH2 1 ? ? +40150 ATOM N N A TRP X 20 255 ? 19.102 -9.412 13.314 0.40 51.50 ? 266 TRP d N 1 ? ? +40151 ATOM N N B TRP X 20 255 ? 19.098 -9.447 13.254 0.60 52.48 ? 266 TRP d N 1 ? ? +40152 ATOM C CA A TRP X 20 255 ? 18.632 -9.163 11.961 0.40 50.76 ? 266 TRP d CA 1 ? ? +40153 ATOM C CA B TRP X 20 255 ? 18.617 -9.189 11.906 0.60 51.63 ? 266 TRP d CA 1 ? ? +40154 ATOM C C A TRP X 20 255 ? 17.870 -7.840 11.856 0.40 50.57 ? 266 TRP d C 1 ? ? +40155 ATOM C C B TRP X 20 255 ? 17.815 -7.888 11.794 0.60 51.27 ? 266 TRP d C 1 ? ? +40156 ATOM O O A TRP X 20 255 ? 18.098 -7.057 10.934 0.40 50.32 ? 266 TRP d O 1 ? ? +40157 ATOM O O B TRP X 20 255 ? 17.959 -7.146 10.825 0.60 51.01 ? 266 TRP d O 1 ? ? +40158 ATOM C CB A TRP X 20 255 ? 17.752 -10.325 11.474 0.40 50.40 ? 266 TRP d CB 1 ? ? +40159 ATOM C CB B TRP X 20 255 ? 17.766 -10.358 11.406 0.60 51.27 ? 266 TRP d CB 1 ? ? +40160 ATOM C CG A TRP X 20 255 ? 17.056 -10.038 10.187 0.40 49.74 ? 266 TRP d CG 1 ? ? +40161 ATOM C CG B TRP X 20 255 ? 17.068 -10.054 10.132 0.60 50.60 ? 266 TRP d CG 1 ? ? +40162 ATOM C CD1 A TRP X 20 255 ? 15.714 -9.989 9.976 0.40 49.49 ? 266 TRP d CD1 1 ? ? +40163 ATOM C CD1 B TRP X 20 255 ? 15.728 -9.960 9.939 0.60 50.36 ? 266 TRP d CD1 1 ? ? +40164 ATOM C CD2 A TRP X 20 255 ? 17.671 -9.731 8.936 0.40 49.30 ? 266 TRP d CD2 1 ? ? +40165 ATOM C CD2 B TRP X 20 255 ? 17.677 -9.761 8.877 0.60 50.15 ? 266 TRP d CD2 1 ? ? +40166 ATOM N NE1 A TRP X 20 255 ? 15.453 -9.679 8.666 0.40 48.97 ? 266 TRP d NE1 1 ? ? +40167 ATOM N NE1 B TRP X 20 255 ? 15.459 -9.639 8.634 0.60 49.83 ? 266 TRP d NE1 1 ? ? +40168 ATOM C CE2 A TRP X 20 255 ? 16.636 -9.513 8.003 0.40 48.84 ? 266 TRP d CE2 1 ? ? +40169 ATOM C CE2 B TRP X 20 255 ? 16.636 -9.509 7.957 0.60 49.69 ? 266 TRP d CE2 1 ? ? +40170 ATOM C CE3 A TRP X 20 255 ? 18.999 -9.620 8.510 0.40 49.27 ? 266 TRP d CE3 1 ? ? +40171 ATOM C CE3 B TRP X 20 255 ? 19.006 -9.688 8.436 0.60 50.10 ? 266 TRP d CE3 1 ? ? +40172 ATOM C CZ2 A TRP X 20 255 ? 16.886 -9.195 6.674 0.40 48.41 ? 266 TRP d CZ2 1 ? ? +40173 ATOM C CZ2 B TRP X 20 255 ? 16.879 -9.193 6.624 0.60 49.28 ? 266 TRP d CZ2 1 ? ? +40174 ATOM C CZ3 A TRP X 20 255 ? 19.249 -9.303 7.193 0.40 48.84 ? 266 TRP d CZ3 1 ? ? +40175 ATOM C CZ3 B TRP X 20 255 ? 19.253 -9.377 7.114 0.60 49.69 ? 266 TRP d CZ3 1 ? ? +40176 ATOM C CH2 A TRP X 20 255 ? 18.202 -9.097 6.288 0.40 48.43 ? 266 TRP d CH2 1 ? ? +40177 ATOM C CH2 B TRP X 20 255 ? 18.200 -9.135 6.219 0.60 49.33 ? 266 TRP d CH2 1 ? ? +40178 ATOM N N A LEU X 20 256 ? 16.969 -7.594 12.812 0.40 50.71 ? 267 LEU d N 1 ? ? +40179 ATOM N N B LEU X 20 256 ? 16.969 -7.617 12.789 0.60 51.25 ? 267 LEU d N 1 ? ? +40180 ATOM C CA A LEU X 20 256 ? 16.157 -6.390 12.815 0.40 50.55 ? 267 LEU d CA 1 ? ? +40181 ATOM C CA B LEU X 20 256 ? 16.165 -6.409 12.809 0.60 50.98 ? 267 LEU d CA 1 ? ? +40182 ATOM C C A LEU X 20 256 ? 17.032 -5.141 12.746 0.40 50.53 ? 267 LEU d C 1 ? ? +40183 ATOM C C B LEU X 20 256 ? 17.050 -5.166 12.757 0.60 50.84 ? 267 LEU d C 1 ? ? +40184 ATOM O O A LEU X 20 256 ? 16.860 -4.301 11.870 0.40 50.16 ? 267 LEU d O 1 ? ? +40185 ATOM O O B LEU X 20 256 ? 16.906 -4.329 11.875 0.60 50.42 ? 267 LEU d O 1 ? ? +40186 ATOM C CB A LEU X 20 256 ? 15.281 -6.381 14.083 0.40 51.01 ? 267 LEU d CB 1 ? ? +40187 ATOM C CB B LEU X 20 256 ? 15.286 -6.430 14.079 0.60 51.44 ? 267 LEU d CB 1 ? ? +40188 ATOM C CG A LEU X 20 256 ? 14.168 -5.347 14.146 0.40 51.01 ? 267 LEU d CG 1 ? ? +40189 ATOM C CG B LEU X 20 256 ? 14.167 -5.410 14.172 0.60 51.44 ? 267 LEU d CG 1 ? ? +40190 ATOM C CD1 A LEU X 20 256 ? 13.257 -5.605 15.331 0.40 51.45 ? 267 LEU d CD1 1 ? ? +40191 ATOM C CD1 B LEU X 20 256 ? 13.217 -5.762 15.292 0.60 51.88 ? 267 LEU d CD1 1 ? ? +40192 ATOM C CD2 A LEU X 20 256 ? 14.707 -3.950 14.244 0.40 51.14 ? 267 LEU d CD2 1 ? ? +40193 ATOM C CD2 B LEU X 20 256 ? 14.680 -4.020 14.414 0.60 51.64 ? 267 LEU d CD2 1 ? ? +40194 ATOM N N A HIS X 20 257 ? 17.986 -5.024 13.671 0.40 50.96 ? 268 HIS d N 1 ? ? +40195 ATOM N N B HIS X 20 257 ? 17.987 -5.058 13.697 0.60 51.21 ? 268 HIS d N 1 ? ? +40196 ATOM C CA A HIS X 20 257 ? 18.805 -3.826 13.737 0.40 51.11 ? 268 HIS d CA 1 ? ? +40197 ATOM C CA B HIS X 20 257 ? 18.857 -3.896 13.755 0.60 51.30 ? 268 HIS d CA 1 ? ? +40198 ATOM C C A HIS X 20 257 ? 19.826 -3.750 12.596 0.40 50.68 ? 268 HIS d C 1 ? ? +40199 ATOM C C B HIS X 20 257 ? 19.905 -3.842 12.637 0.60 50.78 ? 268 HIS d C 1 ? ? +40200 ATOM O O A HIS X 20 257 ? 20.222 -2.657 12.203 0.40 50.61 ? 268 HIS d O 1 ? ? +40201 ATOM O O B HIS X 20 257 ? 20.377 -2.763 12.301 0.60 50.75 ? 268 HIS d O 1 ? ? +40202 ATOM C CB A HIS X 20 257 ? 19.448 -3.680 15.129 0.40 51.83 ? 268 HIS d CB 1 ? ? +40203 ATOM C CB B HIS X 20 257 ? 19.488 -3.796 15.141 0.60 52.02 ? 268 HIS d CB 1 ? ? +40204 ATOM C CG A HIS X 20 257 ? 18.479 -3.308 16.216 0.40 52.22 ? 268 HIS d CG 1 ? ? +40205 ATOM C CG B HIS X 20 257 ? 18.518 -3.418 16.223 0.60 52.45 ? 268 HIS d CG 1 ? ? +40206 ATOM N ND1 A HIS X 20 257 ? 17.761 -4.265 16.896 0.40 52.40 ? 268 HIS d ND1 1 ? ? +40207 ATOM N ND1 B HIS X 20 257 ? 18.002 -4.361 17.070 0.60 52.75 ? 268 HIS d ND1 1 ? ? +40208 ATOM C CD2 A HIS X 20 257 ? 18.171 -2.090 16.731 0.40 52.52 ? 268 HIS d CD2 1 ? ? +40209 ATOM C CD2 B HIS X 20 257 ? 18.001 -2.207 16.552 0.60 52.66 ? 268 HIS d CD2 1 ? ? +40210 ATOM C CE1 A HIS X 20 257 ? 17.024 -3.612 17.793 0.40 52.79 ? 268 HIS d CE1 1 ? ? +40211 ATOM C CE1 B HIS X 20 257 ? 17.197 -3.715 17.904 0.60 53.12 ? 268 HIS d CE1 1 ? ? +40212 ATOM N NE2 A HIS X 20 257 ? 17.234 -2.290 17.728 0.40 52.90 ? 268 HIS d NE2 1 ? ? +40213 ATOM N NE2 B HIS X 20 257 ? 17.165 -2.400 17.636 0.60 53.13 ? 268 HIS d NE2 1 ? ? +40214 ATOM N N A PHE X 20 258 ? 20.204 -4.892 12.011 0.40 50.36 ? 269 PHE d N 1 ? ? +40215 ATOM N N B PHE X 20 258 ? 20.228 -4.977 12.007 0.60 50.37 ? 269 PHE d N 1 ? ? +40216 ATOM C CA A PHE X 20 258 ? 21.024 -4.865 10.808 0.40 49.99 ? 269 PHE d CA 1 ? ? +40217 ATOM C CA B PHE X 20 258 ? 21.048 -4.932 10.806 0.60 49.95 ? 269 PHE d CA 1 ? ? +40218 ATOM C C A PHE X 20 258 ? 20.222 -4.341 9.622 0.40 49.40 ? 269 PHE d C 1 ? ? +40219 ATOM C C B PHE X 20 258 ? 20.245 -4.383 9.631 0.60 49.33 ? 269 PHE d C 1 ? ? +40220 ATOM O O A PHE X 20 258 ? 20.736 -3.587 8.798 0.40 49.23 ? 269 PHE d O 1 ? ? +40221 ATOM O O B PHE X 20 258 ? 20.731 -3.535 8.888 0.60 49.18 ? 269 PHE d O 1 ? ? +40222 ATOM C CB A PHE X 20 258 ? 21.594 -6.237 10.416 0.40 49.89 ? 269 PHE d CB 1 ? ? +40223 ATOM C CB B PHE X 20 258 ? 21.625 -6.291 10.389 0.60 49.83 ? 269 PHE d CB 1 ? ? +40224 ATOM C CG A PHE X 20 258 ? 22.325 -6.178 9.090 0.40 49.53 ? 269 PHE d CG 1 ? ? +40225 ATOM C CG B PHE X 20 258 ? 22.359 -6.181 9.071 0.60 49.47 ? 269 PHE d CG 1 ? ? +40226 ATOM C CD1 A PHE X 20 258 ? 23.611 -5.674 9.010 0.40 49.81 ? 269 PHE d CD1 1 ? ? +40227 ATOM C CD1 B PHE X 20 258 ? 23.665 -5.728 9.020 0.60 49.77 ? 269 PHE d CD1 1 ? ? +40228 ATOM C CD2 A PHE X 20 258 ? 21.703 -6.570 7.919 0.40 48.99 ? 269 PHE d CD2 1 ? ? +40229 ATOM C CD2 B PHE X 20 258 ? 21.717 -6.457 7.878 0.60 48.90 ? 269 PHE d CD2 1 ? ? +40230 ATOM C CE1 A PHE X 20 258 ? 24.271 -5.601 7.785 0.40 49.51 ? 269 PHE d CE1 1 ? ? +40231 ATOM C CE1 B PHE X 20 258 ? 24.329 -5.604 7.798 0.60 49.47 ? 269 PHE d CE1 1 ? ? +40232 ATOM C CE2 A PHE X 20 258 ? 22.359 -6.488 6.701 0.40 48.68 ? 269 PHE d CE2 1 ? ? +40233 ATOM C CE2 B PHE X 20 258 ? 22.372 -6.321 6.664 0.60 48.61 ? 269 PHE d CE2 1 ? ? +40234 ATOM C CZ A PHE X 20 258 ? 23.638 -6.005 6.639 0.40 48.96 ? 269 PHE d CZ 1 ? ? +40235 ATOM C CZ B PHE X 20 258 ? 23.674 -5.895 6.628 0.60 48.90 ? 269 PHE d CZ 1 ? ? +40236 ATOM N N A PHE X 20 259 ? 18.965 -4.785 9.529 0.40 49.09 ? 270 PHE d N 1 ? ? +40237 ATOM N N B PHE X 20 259 ? 19.031 -4.917 9.446 0.60 48.96 ? 270 PHE d N 1 ? ? +40238 ATOM C CA A PHE X 20 259 ? 18.080 -4.376 8.453 0.40 48.55 ? 270 PHE d CA 1 ? ? +40239 ATOM C CA B PHE X 20 259 ? 18.116 -4.448 8.420 0.60 48.40 ? 270 PHE d CA 1 ? ? +40240 ATOM C C A PHE X 20 259 ? 17.855 -2.866 8.479 0.40 48.56 ? 270 PHE d C 1 ? ? +40241 ATOM C C B PHE X 20 259 ? 17.881 -2.938 8.478 0.60 48.40 ? 270 PHE d C 1 ? ? +40242 ATOM O O A PHE X 20 259 ? 17.764 -2.227 7.432 0.40 48.21 ? 270 PHE d O 1 ? ? +40243 ATOM O O B PHE X 20 259 ? 17.769 -2.287 7.441 0.60 48.04 ? 270 PHE d O 1 ? ? +40244 ATOM C CB A PHE X 20 259 ? 16.739 -5.124 8.579 0.40 48.42 ? 270 PHE d CB 1 ? ? +40245 ATOM C CB B PHE X 20 259 ? 16.766 -5.189 8.559 0.60 48.28 ? 270 PHE d CB 1 ? ? +40246 ATOM C CG A PHE X 20 259 ? 15.844 -5.022 7.372 0.40 47.90 ? 270 PHE d CG 1 ? ? +40247 ATOM C CG B PHE X 20 259 ? 15.858 -5.059 7.366 0.60 47.75 ? 270 PHE d CG 1 ? ? +40248 ATOM C CD1 A PHE X 20 259 ? 16.227 -5.563 6.161 0.40 47.51 ? 270 PHE d CD1 1 ? ? +40249 ATOM C CD1 B PHE X 20 259 ? 16.231 -5.567 6.136 0.60 47.36 ? 270 PHE d CD1 1 ? ? +40250 ATOM C CD2 A PHE X 20 259 ? 14.622 -4.387 7.450 0.40 47.86 ? 270 PHE d CD2 1 ? ? +40251 ATOM C CD2 B PHE X 20 259 ? 14.643 -4.417 7.469 0.60 47.73 ? 270 PHE d CD2 1 ? ? +40252 ATOM C CE1 A PHE X 20 259 ? 15.402 -5.466 5.049 0.40 47.08 ? 270 PHE d CE1 1 ? ? +40253 ATOM C CE1 B PHE X 20 259 ? 15.397 -5.442 5.032 0.60 46.95 ? 270 PHE d CE1 1 ? ? +40254 ATOM C CE2 A PHE X 20 259 ? 13.799 -4.296 6.337 0.40 47.44 ? 270 PHE d CE2 1 ? ? +40255 ATOM C CE2 B PHE X 20 259 ? 13.808 -4.299 6.364 0.60 47.32 ? 270 PHE d CE2 1 ? ? +40256 ATOM C CZ A PHE X 20 259 ? 14.194 -4.836 5.145 0.40 47.05 ? 270 PHE d CZ 1 ? ? +40257 ATOM C CZ B PHE X 20 259 ? 14.190 -4.812 5.154 0.60 46.91 ? 270 PHE d CZ 1 ? ? +40258 ATOM N N A MET X 20 260 ? 17.768 -2.313 9.695 0.40 48.98 ? 271 MET d N 1 ? ? +40259 ATOM N N B MET X 20 260 ? 17.801 -2.392 9.700 0.60 48.80 ? 271 MET d N 1 ? ? +40260 ATOM C CA A MET X 20 260 ? 17.600 -0.883 9.895 0.40 49.13 ? 271 MET d CA 1 ? ? +40261 ATOM C CA B MET X 20 260 ? 17.662 -0.957 9.909 0.60 48.96 ? 271 MET d CA 1 ? ? +40262 ATOM C C A MET X 20 260 ? 18.814 -0.103 9.386 0.40 49.18 ? 271 MET d C 1 ? ? +40263 ATOM C C B MET X 20 260 ? 18.878 -0.170 9.407 0.60 49.02 ? 271 MET d C 1 ? ? +40264 ATOM O O A MET X 20 260 ? 18.682 1.016 8.894 0.40 49.11 ? 271 MET d O 1 ? ? +40265 ATOM O O B MET X 20 260 ? 18.738 0.961 8.948 0.60 48.96 ? 271 MET d O 1 ? ? +40266 ATOM C CB A MET X 20 260 ? 17.354 -0.605 11.384 0.40 49.68 ? 271 MET d CB 1 ? ? +40267 ATOM C CB B MET X 20 260 ? 17.404 -0.668 11.405 0.60 49.50 ? 271 MET d CB 1 ? ? +40268 ATOM C CG A MET X 20 260 ? 15.940 -0.949 11.818 0.40 49.65 ? 271 MET d CG 1 ? ? +40269 ATOM C CG B MET X 20 260 ? 15.946 -0.919 11.817 0.60 49.47 ? 271 MET d CG 1 ? ? +40270 ATOM S SD A MET X 20 260 ? 15.604 -0.550 13.549 0.40 50.32 ? 271 MET d SD 1 ? ? +40271 ATOM S SD B MET X 20 260 ? 15.547 -0.434 13.522 0.60 50.11 ? 271 MET d SD 1 ? ? +40272 ATOM C CE A MET X 20 260 ? 15.364 1.205 13.415 0.40 50.38 ? 271 MET d CE 1 ? ? +40273 ATOM C CE B MET X 20 260 ? 15.379 1.301 13.316 0.60 50.14 ? 271 MET d CE 1 ? ? +40274 ATOM N N A LEU X 20 261 ? 20.001 -0.707 9.507 0.40 49.31 ? 272 LEU d N 1 ? ? +40275 ATOM N N B LEU X 20 261 ? 20.071 -0.769 9.499 0.60 49.15 ? 272 LEU d N 1 ? ? +40276 ATOM C CA A LEU X 20 261 ? 21.209 -0.168 8.907 0.40 49.32 ? 272 LEU d CA 1 ? ? +40277 ATOM C CA B LEU X 20 261 ? 21.271 -0.209 8.894 0.60 49.17 ? 272 LEU d CA 1 ? ? +40278 ATOM C C A LEU X 20 261 ? 21.124 -0.270 7.386 0.40 48.76 ? 272 LEU d C 1 ? ? +40279 ATOM C C B LEU X 20 261 ? 21.187 -0.300 7.373 0.60 48.63 ? 272 LEU d C 1 ? ? +40280 ATOM O O A LEU X 20 261 ? 21.291 0.722 6.682 0.40 48.66 ? 272 LEU d O 1 ? ? +40281 ATOM O O B LEU X 20 261 ? 21.330 0.699 6.675 0.60 48.50 ? 272 LEU d O 1 ? ? +40282 ATOM C CB A LEU X 20 261 ? 22.437 -0.934 9.439 0.40 49.66 ? 272 LEU d CB 1 ? ? +40283 ATOM C CB B LEU X 20 261 ? 22.505 -0.964 9.421 0.60 49.53 ? 272 LEU d CB 1 ? ? +40284 ATOM C CG A LEU X 20 261 ? 23.808 -0.482 8.955 0.40 49.81 ? 272 LEU d CG 1 ? ? +40285 ATOM C CG B LEU X 20 261 ? 23.863 -0.516 8.938 0.60 49.66 ? 272 LEU d CG 1 ? ? +40286 ATOM C CD1 A LEU X 20 261 ? 24.894 -1.132 9.768 0.40 50.30 ? 272 LEU d CD1 1 ? ? +40287 ATOM C CD1 B LEU X 20 261 ? 24.955 -1.223 9.721 0.60 50.16 ? 272 LEU d CD1 1 ? ? +40288 ATOM C CD2 A LEU X 20 261 ? 24.030 -0.803 7.495 0.40 49.30 ? 272 LEU d CD2 1 ? ? +40289 ATOM C CD2 B LEU X 20 261 ? 24.073 -0.788 7.466 0.60 49.15 ? 272 LEU d CD2 1 ? ? +40290 ATOM N N A PHE X 20 262 ? 20.824 -1.478 6.898 0.40 48.43 ? 273 PHE d N 1 ? ? +40291 ATOM N N B PHE X 20 262 ? 20.944 -1.516 6.877 0.60 48.32 ? 273 PHE d N 1 ? ? +40292 ATOM C CA A PHE X 20 262 ? 20.841 -1.782 5.476 0.40 47.95 ? 273 PHE d CA 1 ? ? +40293 ATOM C CA B PHE X 20 262 ? 20.923 -1.808 5.452 0.60 47.85 ? 273 PHE d CA 1 ? ? +40294 ATOM C C A PHE X 20 262 ? 19.938 -0.917 4.594 0.40 47.56 ? 273 PHE d C 1 ? ? +40295 ATOM C C B PHE X 20 262 ? 20.026 -0.919 4.586 0.60 47.45 ? 273 PHE d C 1 ? ? +40296 ATOM O O A PHE X 20 262 ? 20.359 -0.477 3.526 0.40 47.33 ? 273 PHE d O 1 ? ? +40297 ATOM O O B PHE X 20 262 ? 20.473 -0.438 3.546 0.60 47.22 ? 273 PHE d O 1 ? ? +40298 ATOM C CB A PHE X 20 262 ? 20.439 -3.252 5.273 0.40 47.74 ? 273 PHE d CB 1 ? ? +40299 ATOM C CB B PHE X 20 262 ? 20.483 -3.272 5.245 0.60 47.69 ? 273 PHE d CB 1 ? ? +40300 ATOM C CG A PHE X 20 262 ? 20.449 -3.689 3.829 0.40 47.31 ? 273 PHE d CG 1 ? ? +40301 ATOM C CG B PHE X 20 262 ? 20.514 -3.710 3.803 0.60 47.32 ? 273 PHE d CG 1 ? ? +40302 ATOM C CD1 A PHE X 20 262 ? 21.639 -3.940 3.172 0.40 47.35 ? 273 PHE d CD1 1 ? ? +40303 ATOM C CD1 B PHE X 20 262 ? 21.707 -4.059 3.194 0.60 47.41 ? 273 PHE d CD1 1 ? ? +40304 ATOM C CD2 A PHE X 20 262 ? 19.271 -3.825 3.122 0.40 46.94 ? 273 PHE d CD2 1 ? ? +40305 ATOM C CD2 B PHE X 20 262 ? 19.361 -3.730 3.044 0.60 46.98 ? 273 PHE d CD2 1 ? ? +40306 ATOM C CE1 A PHE X 20 262 ? 21.647 -4.334 1.839 0.40 46.92 ? 273 PHE d CE1 1 ? ? +40307 ATOM C CE1 B PHE X 20 262 ? 21.740 -4.447 1.855 0.60 47.01 ? 273 PHE d CE1 1 ? ? +40308 ATOM C CE2 A PHE X 20 262 ? 19.283 -4.215 1.794 0.40 46.55 ? 273 PHE d CE2 1 ? ? +40309 ATOM C CE2 B PHE X 20 262 ? 19.398 -4.113 1.714 0.60 46.63 ? 273 PHE d CE2 1 ? ? +40310 ATOM C CZ A PHE X 20 262 ? 20.473 -4.469 1.160 0.40 46.53 ? 273 PHE d CZ 1 ? ? +40311 ATOM C CZ B PHE X 20 262 ? 20.591 -4.470 1.126 0.60 46.63 ? 273 PHE d CZ 1 ? ? +40312 ATOM N N A VAL X 20 263 ? 18.685 -0.702 5.017 0.40 47.46 ? 274 VAL d N 1 ? ? +40313 ATOM N N B VAL X 20 263 ? 18.758 -0.731 4.991 0.60 47.32 ? 274 VAL d N 1 ? ? +40314 ATOM C CA A VAL X 20 263 ? 17.695 -0.114 4.127 0.40 47.07 ? 274 VAL d CA 1 ? ? +40315 ATOM C CA B VAL X 20 263 ? 17.761 -0.154 4.099 0.60 46.90 ? 274 VAL d CA 1 ? ? +40316 ATOM C C A VAL X 20 263 ? 18.067 1.297 3.674 0.40 47.08 ? 274 VAL d C 1 ? ? +40317 ATOM C C B VAL X 20 263 ? 18.120 1.271 3.674 0.60 46.93 ? 274 VAL d C 1 ? ? +40318 ATOM O O A VAL X 20 263 ? 18.203 1.545 2.478 0.40 46.76 ? 274 VAL d O 1 ? ? +40319 ATOM O O B VAL X 20 263 ? 18.287 1.540 2.487 0.60 46.61 ? 274 VAL d O 1 ? ? +40320 ATOM C CB A VAL X 20 263 ? 16.272 -0.160 4.745 0.40 47.10 ? 274 VAL d CB 1 ? ? +40321 ATOM C CB B VAL X 20 263 ? 16.318 -0.258 4.695 0.60 46.92 ? 274 VAL d CB 1 ? ? +40322 ATOM C CG1 A VAL X 20 263 ? 15.308 0.749 3.994 0.40 46.86 ? 274 VAL d CG1 1 ? ? +40323 ATOM C CG1 B VAL X 20 263 ? 15.312 0.582 3.916 0.60 46.66 ? 274 VAL d CG1 1 ? ? +40324 ATOM C CG2 A VAL X 20 263 ? 15.749 -1.586 4.781 0.40 46.92 ? 274 VAL d CG2 1 ? ? +40325 ATOM C CG2 B VAL X 20 263 ? 15.862 -1.704 4.748 0.60 46.76 ? 274 VAL d CG2 1 ? ? +40326 ATOM N N A PRO X 20 264 ? 18.214 2.280 4.588 0.40 47.48 ? 275 PRO d N 1 ? ? +40327 ATOM N N B PRO X 20 264 ? 18.264 2.241 4.599 0.60 47.31 ? 275 PRO d N 1 ? ? +40328 ATOM C CA A PRO X 20 264 ? 18.513 3.652 4.175 0.40 47.59 ? 275 PRO d CA 1 ? ? +40329 ATOM C CA B PRO X 20 264 ? 18.541 3.620 4.194 0.60 47.44 ? 275 PRO d CA 1 ? ? +40330 ATOM C C A PRO X 20 264 ? 19.909 3.824 3.570 0.40 47.63 ? 275 PRO d C 1 ? ? +40331 ATOM C C B PRO X 20 264 ? 19.942 3.824 3.613 0.60 47.49 ? 275 PRO d C 1 ? ? +40332 ATOM O O A PRO X 20 264 ? 20.108 4.634 2.663 0.40 47.51 ? 275 PRO d O 1 ? ? +40333 ATOM O O B PRO X 20 264 ? 20.145 4.672 2.745 0.60 47.39 ? 275 PRO d O 1 ? ? +40334 ATOM C CB A PRO X 20 264 ? 18.340 4.449 5.474 0.40 48.08 ? 275 PRO d CB 1 ? ? +40335 ATOM C CB B PRO X 20 264 ? 18.332 4.405 5.492 0.60 47.92 ? 275 PRO d CB 1 ? ? +40336 ATOM C CG A PRO X 20 264 ? 18.539 3.438 6.585 0.40 48.31 ? 275 PRO d CG 1 ? ? +40337 ATOM C CG B PRO X 20 264 ? 18.603 3.405 6.587 0.60 48.16 ? 275 PRO d CG 1 ? ? +40338 ATOM C CD A PRO X 20 264 ? 18.068 2.123 6.044 0.40 47.89 ? 275 PRO d CD 1 ? ? +40339 ATOM C CD B PRO X 20 264 ? 18.175 2.072 6.059 0.60 47.74 ? 275 PRO d CD 1 ? ? +40340 ATOM N N A VAL X 20 265 ? 20.877 3.048 4.064 0.40 47.81 ? 276 VAL d N 1 ? ? +40341 ATOM N N B VAL X 20 265 ? 20.910 3.036 4.090 0.60 47.67 ? 276 VAL d N 1 ? ? +40342 ATOM C CA A VAL X 20 265 ? 22.225 3.111 3.530 0.40 47.91 ? 276 VAL d CA 1 ? ? +40343 ATOM C CA B VAL X 20 265 ? 22.248 3.073 3.527 0.60 47.75 ? 276 VAL d CA 1 ? ? +40344 ATOM C C A VAL X 20 265 ? 22.231 2.696 2.060 0.40 47.41 ? 276 VAL d C 1 ? ? +40345 ATOM C C B VAL X 20 265 ? 22.200 2.630 2.065 0.60 47.27 ? 276 VAL d C 1 ? ? +40346 ATOM O O A VAL X 20 265 ? 22.844 3.365 1.228 0.40 47.42 ? 276 VAL d O 1 ? ? +40347 ATOM O O B VAL X 20 265 ? 22.722 3.321 1.193 0.60 47.25 ? 276 VAL d O 1 ? ? +40348 ATOM C CB A VAL X 20 265 ? 23.204 2.263 4.364 0.40 48.24 ? 276 VAL d CB 1 ? ? +40349 ATOM C CB B VAL X 20 265 ? 23.230 2.236 4.373 0.60 48.09 ? 276 VAL d CB 1 ? ? +40350 ATOM C CG1 A VAL X 20 265 ? 24.540 2.087 3.646 0.40 48.29 ? 276 VAL d CG1 1 ? ? +40351 ATOM C CG1 B VAL X 20 265 ? 24.571 2.032 3.661 0.60 48.15 ? 276 VAL d CG1 1 ? ? +40352 ATOM C CG2 A VAL X 20 265 ? 23.397 2.863 5.751 0.40 48.78 ? 276 VAL d CG2 1 ? ? +40353 ATOM C CG2 B VAL X 20 265 ? 23.429 2.870 5.741 0.60 48.65 ? 276 VAL d CG2 1 ? ? +40354 ATOM N N A THR X 20 266 ? 21.551 1.589 1.745 0.40 47.04 ? 277 THR d N 1 ? ? +40355 ATOM N N B THR X 20 266 ? 21.558 1.489 1.791 0.60 46.92 ? 277 THR d N 1 ? ? +40356 ATOM C CA A THR X 20 266 ? 21.501 1.093 0.379 0.40 46.59 ? 277 THR d CA 1 ? ? +40357 ATOM C CA B THR X 20 266 ? 21.481 0.981 0.429 0.60 46.47 ? 277 THR d CA 1 ? ? +40358 ATOM C C A THR X 20 266 ? 20.774 2.085 -0.522 0.40 46.36 ? 277 THR d C 1 ? ? +40359 ATOM C C B THR X 20 266 ? 20.771 1.952 -0.508 0.60 46.26 ? 277 THR d C 1 ? ? +40360 ATOM O O A THR X 20 266 ? 21.223 2.366 -1.631 0.40 46.22 ? 277 THR d O 1 ? ? +40361 ATOM O O B THR X 20 266 ? 21.186 2.112 -1.652 0.60 46.08 ? 277 THR d O 1 ? ? +40362 ATOM C CB A THR X 20 266 ? 20.866 -0.287 0.344 0.40 46.30 ? 277 THR d CB 1 ? ? +40363 ATOM C CB B THR X 20 266 ? 20.813 -0.387 0.379 0.60 46.19 ? 277 THR d CB 1 ? ? +40364 ATOM O OG1 A THR X 20 266 ? 21.671 -1.168 1.124 0.40 46.57 ? 277 THR d OG1 1 ? ? +40365 ATOM O OG1 B THR X 20 266 ? 21.573 -1.293 1.175 0.60 46.47 ? 277 THR d OG1 1 ? ? +40366 ATOM C CG2 A THR X 20 266 ? 20.728 -0.829 -1.068 0.40 45.84 ? 277 THR d CG2 1 ? ? +40367 ATOM C CG2 B THR X 20 266 ? 20.705 -0.933 -1.042 0.60 45.72 ? 277 THR d CG2 1 ? ? +40368 ATOM N N A GLY X 20 267 ? 19.657 2.622 -0.022 0.40 46.38 ? 278 GLY d N 1 ? ? +40369 ATOM N N B GLY X 20 267 ? 19.709 2.599 -0.013 0.60 46.31 ? 278 GLY d N 1 ? ? +40370 ATOM C CA A GLY X 20 267 ? 18.879 3.601 -0.760 0.40 46.22 ? 278 GLY d CA 1 ? ? +40371 ATOM C CA B GLY X 20 267 ? 18.957 3.555 -0.805 0.60 46.14 ? 278 GLY d CA 1 ? ? +40372 ATOM C C A GLY X 20 267 ? 19.702 4.799 -1.231 0.40 46.39 ? 278 GLY d C 1 ? ? +40373 ATOM C C B GLY X 20 267 ? 19.769 4.766 -1.254 0.60 46.34 ? 278 GLY d C 1 ? ? +40374 ATOM O O A GLY X 20 267 ? 19.649 5.169 -2.400 0.40 46.13 ? 278 GLY d O 1 ? ? +40375 ATOM O O B GLY X 20 267 ? 19.772 5.120 -2.430 0.60 46.08 ? 278 GLY d O 1 ? ? +40376 ATOM N N . LEU X 20 268 ? 20.433 5.418 -0.300 1.00 46.85 ? 279 LEU d N 1 ? ? +40377 ATOM C CA . LEU X 20 268 ? 21.280 6.558 -0.623 1.00 47.20 ? 279 LEU d CA 1 ? ? +40378 ATOM C CB . LEU X 20 268 ? 21.947 7.142 0.625 1.00 47.80 ? 279 LEU d CB 1 ? ? +40379 ATOM C CG . LEU X 20 268 ? 21.289 8.406 1.127 1.00 48.09 ? 279 LEU d CG 1 ? ? +40380 ATOM C CD1 . LEU X 20 268 ? 19.861 8.138 1.593 1.00 47.90 ? 279 LEU d CD1 1 ? ? +40381 ATOM C CD2 . LEU X 20 268 ? 22.114 9.045 2.224 1.00 48.67 ? 279 LEU d CD2 1 ? ? +40382 ATOM C C . LEU X 20 268 ? 22.335 6.179 -1.661 1.00 47.15 ? 279 LEU d C 1 ? ? +40383 ATOM O O . LEU X 20 268 ? 22.552 6.914 -2.622 1.00 47.08 ? 279 LEU d O 1 ? ? +40384 ATOM N N . TRP X 20 269 ? 22.945 5.004 -1.485 1.00 47.20 ? 280 TRP d N 1 ? ? +40385 ATOM C CA . TRP X 20 269 ? 23.913 4.497 -2.443 1.00 47.18 ? 280 TRP d CA 1 ? ? +40386 ATOM C CB . TRP X 20 269 ? 24.489 3.161 -1.983 1.00 47.10 ? 280 TRP d CB 1 ? ? +40387 ATOM C CG . TRP X 20 269 ? 25.741 3.334 -1.187 1.00 47.56 ? 280 TRP d CG 1 ? ? +40388 ATOM C CD1 . TRP X 20 269 ? 25.861 3.344 0.166 1.00 47.90 ? 280 TRP d CD1 1 ? ? +40389 ATOM N NE1 . TRP X 20 269 ? 27.169 3.517 0.519 1.00 48.35 ? 280 TRP d NE1 1 ? ? +40390 ATOM C CE2 . TRP X 20 269 ? 27.927 3.611 -0.612 1.00 48.23 ? 280 TRP d CE2 1 ? ? +40391 ATOM C CZ2 . TRP X 20 269 ? 29.299 3.787 -0.763 1.00 48.58 ? 280 TRP d CZ2 1 ? ? +40392 ATOM C CH2 . TRP X 20 269 ? 29.785 3.857 -2.037 1.00 48.41 ? 280 TRP d CH2 1 ? ? +40393 ATOM C CZ3 . TRP X 20 269 ? 28.941 3.737 -3.150 1.00 47.86 ? 280 TRP d CZ3 1 ? ? +40394 ATOM C CE3 . TRP X 20 269 ? 27.580 3.565 -2.998 1.00 47.51 ? 280 TRP d CE3 1 ? ? +40395 ATOM C CD2 . TRP X 20 269 ? 27.054 3.503 -1.708 1.00 47.69 ? 280 TRP d CD2 1 ? ? +40396 ATOM C C . TRP X 20 269 ? 23.340 4.376 -3.851 1.00 46.91 ? 280 TRP d C 1 ? ? +40397 ATOM O O . TRP X 20 269 ? 24.027 4.706 -4.822 1.00 46.84 ? 280 TRP d O 1 ? ? +40398 ATOM N N . MET X 20 270 ? 22.084 3.905 -3.947 1.00 46.73 ? 281 MET d N 1 ? ? +40399 ATOM C CA . MET X 20 270 ? 21.451 3.707 -5.239 1.00 46.46 ? 281 MET d CA 1 ? ? +40400 ATOM C CB . MET X 20 270 ? 20.159 2.886 -5.107 1.00 46.54 ? 281 MET d CB 1 ? ? +40401 ATOM C CG . MET X 20 270 ? 20.390 1.399 -4.811 1.00 46.71 ? 281 MET d CG 1 ? ? +40402 ATOM S SD . MET X 20 270 ? 21.408 0.543 -6.045 1.00 47.09 ? 281 MET d SD 1 ? ? +40403 ATOM C CE . MET X 20 270 ? 22.898 0.409 -5.161 1.00 47.37 ? 281 MET d CE 1 ? ? +40404 ATOM C C . MET X 20 270 ? 21.154 5.048 -5.900 1.00 46.34 ? 281 MET d C 1 ? ? +40405 ATOM O O . MET X 20 270 ? 21.290 5.193 -7.104 1.00 46.21 ? 281 MET d O 1 ? ? +40406 ATOM N N . SER X 20 271 ? 20.752 6.040 -5.115 1.00 46.56 ? 282 SER d N 1 ? ? +40407 ATOM C CA . SER X 20 271 ? 20.497 7.359 -5.665 1.00 46.60 ? 282 SER d CA 1 ? ? +40408 ATOM C CB . SER X 20 271 ? 19.788 8.250 -4.645 1.00 46.87 ? 282 SER d CB 1 ? ? +40409 ATOM O OG . SER X 20 271 ? 20.564 8.549 -3.498 1.00 47.33 ? 282 SER d OG 1 ? ? +40410 ATOM C C . SER X 20 271 ? 21.790 7.995 -6.172 1.00 46.85 ? 282 SER d C 1 ? ? +40411 ATOM O O . SER X 20 271 ? 21.783 8.627 -7.223 1.00 46.71 ? 282 SER d O 1 ? ? +40412 ATOM N N . ALA X 20 272 ? 22.898 7.805 -5.437 1.00 47.20 ? 283 ALA d N 1 ? ? +40413 ATOM C CA . ALA X 20 272 ? 24.196 8.296 -5.883 1.00 47.55 ? 283 ALA d CA 1 ? ? +40414 ATOM C CB . ALA X 20 272 ? 25.308 7.887 -4.928 1.00 47.92 ? 283 ALA d CB 1 ? ? +40415 ATOM C C . ALA X 20 272 ? 24.534 7.808 -7.285 1.00 47.30 ? 283 ALA d C 1 ? ? +40416 ATOM O O . ALA X 20 272 ? 24.994 8.585 -8.110 1.00 47.41 ? 283 ALA d O 1 ? ? +40417 ATOM N N . ILE X 20 273 ? 24.270 6.529 -7.557 1.00 47.06 ? 284 ILE d N 1 ? ? +40418 ATOM C CA . ILE X 20 273 ? 24.589 5.952 -8.852 1.00 46.91 ? 284 ILE d CA 1 ? ? +40419 ATOM C CB . ILE X 20 273 ? 24.340 4.442 -8.811 1.00 46.75 ? 284 ILE d CB 1 ? ? +40420 ATOM C CG1 . ILE X 20 273 ? 25.314 3.779 -7.844 1.00 47.17 ? 284 ILE d CG1 1 ? ? +40421 ATOM C CG2 . ILE X 20 273 ? 24.445 3.824 -10.215 1.00 46.47 ? 284 ILE d CG2 1 ? ? +40422 ATOM C CD1 . ILE X 20 273 ? 25.086 2.298 -7.723 1.00 47.05 ? 284 ILE d CD1 1 ? ? +40423 ATOM C C . ILE X 20 273 ? 23.820 6.620 -9.987 1.00 46.69 ? 284 ILE d C 1 ? ? +40424 ATOM O O . ILE X 20 273 ? 24.370 6.889 -11.053 1.00 46.66 ? 284 ILE d O 1 ? ? +40425 ATOM N N . GLY X 20 274 ? 22.528 6.866 -9.758 1.00 46.50 ? 285 GLY d N 1 ? ? +40426 ATOM C CA . GLY X 20 274 ? 21.725 7.582 -10.730 1.00 46.31 ? 285 GLY d CA 1 ? ? +40427 ATOM C C . GLY X 20 274 ? 22.280 8.961 -11.077 1.00 46.70 ? 285 GLY d C 1 ? ? +40428 ATOM O O . GLY X 20 274 ? 22.291 9.346 -12.241 1.00 46.61 ? 285 GLY d O 1 ? ? +40429 ATOM N N . VAL X 20 275 ? 22.730 9.697 -10.053 1.00 47.19 ? 286 VAL d N 1 ? ? +40430 ATOM C CA . VAL X 20 275 ? 23.300 11.023 -10.233 1.00 47.59 ? 286 VAL d CA 1 ? ? +40431 ATOM C CB . VAL X 20 275 ? 23.400 11.750 -8.873 1.00 48.06 ? 286 VAL d CB 1 ? ? +40432 ATOM C CG1 . VAL X 20 275 ? 24.225 13.033 -8.970 1.00 48.57 ? 286 VAL d CG1 1 ? ? +40433 ATOM C CG2 . VAL X 20 275 ? 22.000 12.045 -8.335 1.00 47.96 ? 286 VAL d CG2 1 ? ? +40434 ATOM C C . VAL X 20 275 ? 24.642 11.006 -10.958 1.00 47.70 ? 286 VAL d C 1 ? ? +40435 ATOM O O . VAL X 20 275 ? 24.983 11.971 -11.639 1.00 48.05 ? 286 VAL d O 1 ? ? +40436 ATOM N N . VAL X 20 276 ? 25.408 9.920 -10.820 1.00 47.49 ? 287 VAL d N 1 ? ? +40437 ATOM C CA . VAL X 20 276 ? 26.608 9.746 -11.625 1.00 47.47 ? 287 VAL d CA 1 ? ? +40438 ATOM C CB . VAL X 20 276 ? 27.382 8.495 -11.186 1.00 47.46 ? 287 VAL d CB 1 ? ? +40439 ATOM C CG1 . VAL X 20 276 ? 28.530 8.168 -12.153 1.00 47.59 ? 287 VAL d CG1 1 ? ? +40440 ATOM C CG2 . VAL X 20 276 ? 27.891 8.658 -9.764 1.00 47.85 ? 287 VAL d CG2 1 ? ? +40441 ATOM C C . VAL X 20 276 ? 26.204 9.687 -13.095 1.00 47.04 ? 287 VAL d C 1 ? ? +40442 ATOM O O . VAL X 20 276 ? 26.870 10.240 -13.963 1.00 47.14 ? 287 VAL d O 1 ? ? +40443 ATOM N N . GLY X 20 277 ? 25.077 9.018 -13.364 1.00 46.54 ? 288 GLY d N 1 ? ? +40444 ATOM C CA . GLY X 20 277 ? 24.533 8.972 -14.710 1.00 46.20 ? 288 GLY d CA 1 ? ? +40445 ATOM C C . GLY X 20 277 ? 24.153 10.350 -15.252 1.00 46.37 ? 288 GLY d C 1 ? ? +40446 ATOM O O . GLY X 20 277 ? 24.409 10.660 -16.411 1.00 46.52 ? 288 GLY d O 1 ? ? +40447 ATOM N N . LEU X 20 278 ? 23.552 11.187 -14.406 1.00 46.47 ? 289 LEU d N 1 ? ? +40448 ATOM C CA . LEU X 20 278 ? 23.135 12.508 -14.833 1.00 46.66 ? 289 LEU d CA 1 ? ? +40449 ATOM C CB . LEU X 20 278 ? 22.147 13.076 -13.813 1.00 46.70 ? 289 LEU d CB 1 ? ? +40450 ATOM C CG . LEU X 20 278 ? 20.857 12.244 -13.652 1.00 46.21 ? 289 LEU d CG 1 ? ? +40451 ATOM C CD1 . LEU X 20 278 ? 19.871 12.925 -12.743 1.00 46.33 ? 289 LEU d CD1 1 ? ? +40452 ATOM C CD2 . LEU X 20 278 ? 20.237 11.957 -14.970 1.00 45.87 ? 289 LEU d CD2 1 ? ? +40453 ATOM C C . LEU X 20 278 ? 24.315 13.450 -15.031 1.00 47.23 ? 289 LEU d C 1 ? ? +40454 ATOM O O . LEU X 20 278 ? 24.201 14.424 -15.769 1.00 47.43 ? 289 LEU d O 1 ? ? +40455 ATOM N N . ALA X 20 279 ? 25.457 13.152 -14.399 1.00 47.53 ? 290 ALA d N 1 ? ? +40456 ATOM C CA . ALA X 20 279 ? 26.673 13.903 -14.672 1.00 48.07 ? 290 ALA d CA 1 ? ? +40457 ATOM C CB . ALA X 20 279 ? 27.855 13.282 -13.954 1.00 48.32 ? 290 ALA d CB 1 ? ? +40458 ATOM C C . ALA X 20 279 ? 26.949 13.968 -16.170 1.00 48.06 ? 290 ALA d C 1 ? ? +40459 ATOM O O . ALA X 20 279 ? 27.461 14.972 -16.663 1.00 48.48 ? 290 ALA d O 1 ? ? +40460 ATOM N N . LEU X 20 280 ? 26.583 12.883 -16.863 1.00 47.73 ? 291 LEU d N 1 ? ? +40461 ATOM C CA . LEU X 20 280 ? 26.788 12.713 -18.291 1.00 47.77 ? 291 LEU d CA 1 ? ? +40462 ATOM C CB . LEU X 20 280 ? 27.301 11.280 -18.483 1.00 47.60 ? 291 LEU d CB 1 ? ? +40463 ATOM C CG . LEU X 20 280 ? 28.517 10.886 -17.602 1.00 47.99 ? 291 LEU d CG 1 ? ? +40464 ATOM C CD1 . LEU X 20 280 ? 29.105 9.540 -18.024 1.00 47.80 ? 291 LEU d CD1 1 ? ? +40465 ATOM C CD2 . LEU X 20 280 ? 29.623 11.898 -17.649 1.00 48.57 ? 291 LEU d CD2 1 ? ? +40466 ATOM C C . LEU X 20 280 ? 25.525 12.908 -19.131 1.00 47.43 ? 291 LEU d C 1 ? ? +40467 ATOM O O . LEU X 20 280 ? 25.496 12.541 -20.301 1.00 47.27 ? 291 LEU d O 1 ? ? +40468 ATOM N N . ASN X 20 281 ? 24.483 13.489 -18.522 1.00 47.41 ? 292 ASN d N 1 ? ? +40469 ATOM C CA . ASN X 20 281 ? 23.141 13.541 -19.088 1.00 47.06 ? 292 ASN d CA 1 ? ? +40470 ATOM C CB . ASN X 20 281 ? 23.068 14.447 -20.299 1.00 47.14 ? 292 ASN d CB 1 ? ? +40471 ATOM C CG . ASN X 20 281 ? 23.191 15.883 -19.986 1.00 47.52 ? 292 ASN d CG 1 ? ? +40472 ATOM O OD1 . ASN X 20 281 ? 23.012 16.309 -18.857 1.00 47.64 ? 292 ASN d OD1 1 ? ? +40473 ATOM N ND2 . ASN X 20 281 ? 23.505 16.662 -21.001 1.00 47.78 ? 292 ASN d ND2 1 ? ? +40474 ATOM C C . ASN X 20 281 ? 22.632 12.166 -19.489 1.00 46.66 ? 292 ASN d C 1 ? ? +40475 ATOM O O . ASN X 20 281 ? 21.776 12.052 -20.356 1.00 46.48 ? 292 ASN d O 1 ? ? +40476 ATOM N N . LEU X 20 282 ? 23.135 11.125 -18.825 1.00 46.64 ? 293 LEU d N 1 ? ? +40477 ATOM C CA . LEU X 20 282 ? 22.710 9.773 -19.128 1.00 46.27 ? 293 LEU d CA 1 ? ? +40478 ATOM C CB . LEU X 20 282 ? 23.857 8.830 -18.850 1.00 46.29 ? 293 LEU d CB 1 ? ? +40479 ATOM C CG . LEU X 20 282 ? 23.921 7.590 -19.693 1.00 46.05 ? 293 LEU d CG 1 ? ? +40480 ATOM C CD1 . LEU X 20 282 ? 23.888 7.892 -21.193 1.00 45.99 ? 293 LEU d CD1 1 ? ? +40481 ATOM C CD2 . LEU X 20 282 ? 25.192 6.829 -19.375 1.00 46.24 ? 293 LEU d CD2 1 ? ? +40482 ATOM C C . LEU X 20 282 ? 21.451 9.498 -18.307 1.00 46.05 ? 293 LEU d C 1 ? ? +40483 ATOM O O . LEU X 20 282 ? 21.486 8.860 -17.259 1.00 46.04 ? 293 LEU d O 1 ? ? +40484 ATOM N N . ARG X 20 283 ? 20.344 10.049 -18.801 1.00 46.02 ? 294 ARG d N 1 ? ? +40485 ATOM C CA . ARG X 20 283 ? 19.087 10.121 -18.074 1.00 46.01 ? 294 ARG d CA 1 ? ? +40486 ATOM C CB . ARG X 20 283 ? 18.326 11.387 -18.491 1.00 46.25 ? 294 ARG d CB 1 ? ? +40487 ATOM C CG . ARG X 20 283 ? 19.101 12.675 -18.328 1.00 46.68 ? 294 ARG d CG 1 ? ? +40488 ATOM C CD . ARG X 20 283 ? 18.632 13.714 -19.331 1.00 46.85 ? 294 ARG d CD 1 ? ? +40489 ATOM N NE . ARG X 20 283 ? 19.315 14.982 -19.134 1.00 47.33 ? 294 ARG d NE 1 ? ? +40490 ATOM C CZ . ARG X 20 283 ? 19.281 15.987 -19.987 1.00 47.66 ? 294 ARG d CZ 1 ? ? +40491 ATOM N NH1 . ARG X 20 283 ? 18.607 15.896 -21.120 1.00 47.62 ? 294 ARG d NH1 1 ? ? +40492 ATOM N NH2 . ARG X 20 283 ? 19.941 17.108 -19.703 1.00 48.11 ? 294 ARG d NH2 1 ? ? +40493 ATOM C C . ARG X 20 283 ? 18.147 8.983 -18.424 1.00 45.56 ? 294 ARG d C 1 ? ? +40494 ATOM O O . ARG X 20 283 ? 18.257 8.402 -19.488 1.00 45.34 ? 294 ARG d O 1 ? ? +40495 ATOM N N A SER X 20 284 ? 17.205 8.694 -17.523 0.50 45.57 ? 295 SER d N 1 ? ? +40496 ATOM N N B SER X 20 284 ? 17.215 8.680 -17.524 0.50 45.55 ? 295 SER d N 1 ? ? +40497 ATOM C CA A SER X 20 284 ? 15.992 7.985 -17.895 0.50 45.29 ? 295 SER d CA 1 ? ? +40498 ATOM C CA B SER X 20 284 ? 16.012 7.975 -17.924 0.50 45.28 ? 295 SER d CA 1 ? ? +40499 ATOM C C A SER X 20 284 ? 14.918 9.015 -18.215 0.50 45.38 ? 295 SER d C 1 ? ? +40500 ATOM C C B SER X 20 284 ? 14.961 9.042 -18.195 0.50 45.38 ? 295 SER d C 1 ? ? +40501 ATOM O O A SER X 20 284 ? 13.984 9.188 -17.438 0.50 45.49 ? 295 SER d O 1 ? ? +40502 ATOM O O B SER X 20 284 ? 14.106 9.288 -17.354 0.50 45.52 ? 295 SER d O 1 ? ? +40503 ATOM C CB A SER X 20 284 ? 15.512 7.043 -16.795 0.50 45.19 ? 295 SER d CB 1 ? ? +40504 ATOM C CB B SER X 20 284 ? 15.550 6.996 -16.859 0.50 45.17 ? 295 SER d CB 1 ? ? +40505 ATOM O OG A SER X 20 284 ? 16.429 5.980 -16.595 0.50 45.15 ? 295 SER d OG 1 ? ? +40506 ATOM O OG B SER X 20 284 ? 15.166 7.701 -15.693 0.50 45.48 ? 295 SER d OG 1 ? ? +40507 ATOM N N . TYR X 20 285 ? 15.066 9.687 -19.359 1.00 45.45 ? 296 TYR d N 1 ? ? +40508 ATOM C CA . TYR X 20 285 ? 14.166 10.762 -19.741 1.00 45.67 ? 296 TYR d CA 1 ? ? +40509 ATOM C CB . TYR X 20 285 ? 14.828 11.739 -20.729 1.00 46.03 ? 296 TYR d CB 1 ? ? +40510 ATOM C CG . TYR X 20 285 ? 14.012 12.987 -20.868 1.00 46.51 ? 296 TYR d CG 1 ? ? +40511 ATOM C CD1 . TYR X 20 285 ? 14.148 14.031 -19.971 1.00 46.95 ? 296 TYR d CD1 1 ? ? +40512 ATOM C CD2 . TYR X 20 285 ? 13.009 13.078 -21.818 1.00 46.67 ? 296 TYR d CD2 1 ? ? +40513 ATOM C CE1 . TYR X 20 285 ? 13.347 15.168 -20.055 1.00 47.33 ? 296 TYR d CE1 1 ? ? +40514 ATOM C CE2 . TYR X 20 285 ? 12.182 14.187 -21.894 1.00 47.00 ? 296 TYR d CE2 1 ? ? +40515 ATOM C CZ . TYR X 20 285 ? 12.346 15.231 -21.012 1.00 47.39 ? 296 TYR d CZ 1 ? ? +40516 ATOM O OH . TYR X 20 285 ? 11.497 16.322 -21.132 1.00 47.93 ? 296 TYR d OH 1 ? ? +40517 ATOM C C . TYR X 20 285 ? 12.872 10.223 -20.357 1.00 45.46 ? 296 TYR d C 1 ? ? +40518 ATOM O O . TYR X 20 285 ? 11.774 10.683 -20.020 1.00 45.56 ? 296 TYR d O 1 ? ? +40519 ATOM N N . ASP X 20 286 ? 13.010 9.262 -21.276 1.00 45.17 ? 297 ASP d N 1 ? ? +40520 ATOM C CA . ASP X 20 286 ? 11.900 8.841 -22.111 1.00 45.00 ? 297 ASP d CA 1 ? ? +40521 ATOM C CB . ASP X 20 286 ? 12.100 9.321 -23.564 1.00 45.07 ? 297 ASP d CB 1 ? ? +40522 ATOM C CG . ASP X 20 286 ? 13.486 9.063 -24.184 1.00 45.03 ? 297 ASP d CG 1 ? ? +40523 ATOM O OD1 . ASP X 20 286 ? 14.246 8.272 -23.629 1.00 44.87 ? 297 ASP d OD1 1 ? ? +40524 ATOM O OD2 . ASP X 20 286 ? 13.777 9.637 -25.232 1.00 45.16 ? 297 ASP d OD2 1 ? ? +40525 ATOM C C . ASP X 20 286 ? 11.722 7.331 -22.090 1.00 44.71 ? 297 ASP d C 1 ? ? +40526 ATOM O O . ASP X 20 286 ? 12.582 6.611 -21.592 1.00 44.75 ? 297 ASP d O 1 ? ? +40527 ATOM N N . PHE X 20 287 ? 10.555 6.909 -22.581 1.00 44.57 ? 298 PHE d N 1 ? ? +40528 ATOM C CA . PHE X 20 287 ? 10.259 5.550 -22.995 1.00 44.20 ? 298 PHE d CA 1 ? ? +40529 ATOM C CB . PHE X 20 287 ? 8.974 4.980 -22.320 1.00 44.09 ? 298 PHE d CB 1 ? ? +40530 ATOM C CG . PHE X 20 287 ? 9.151 4.675 -20.862 1.00 44.09 ? 298 PHE d CG 1 ? ? +40531 ATOM C CD1 . PHE X 20 287 ? 9.989 3.664 -20.454 1.00 43.88 ? 298 PHE d CD1 1 ? ? +40532 ATOM C CD2 . PHE X 20 287 ? 8.487 5.412 -19.900 1.00 44.32 ? 298 PHE d CD2 1 ? ? +40533 ATOM C CE1 . PHE X 20 287 ? 10.178 3.402 -19.117 1.00 43.95 ? 298 PHE d CE1 1 ? ? +40534 ATOM C CE2 . PHE X 20 287 ? 8.671 5.141 -18.562 1.00 44.39 ? 298 PHE d CE2 1 ? ? +40535 ATOM C CZ . PHE X 20 287 ? 9.524 4.138 -18.178 1.00 44.22 ? 298 PHE d CZ 1 ? ? +40536 ATOM C C . PHE X 20 287 ? 9.981 5.612 -24.490 1.00 44.13 ? 298 PHE d C 1 ? ? +40537 ATOM O O . PHE X 20 287 ? 8.912 6.108 -24.888 1.00 44.35 ? 298 PHE d O 1 ? ? +40538 ATOM N N . ILE X 20 288 ? 10.897 5.060 -25.292 1.00 43.74 ? 299 ILE d N 1 ? ? +40539 ATOM C CA . ILE X 20 288 ? 10.762 5.137 -26.738 1.00 43.66 ? 299 ILE d CA 1 ? ? +40540 ATOM C CB . ILE X 20 288 ? 11.975 4.471 -27.427 1.00 43.40 ? 299 ILE d CB 1 ? ? +40541 ATOM C CG1 . ILE X 20 288 ? 13.269 5.162 -26.987 1.00 43.65 ? 299 ILE d CG1 1 ? ? +40542 ATOM C CG2 . ILE X 20 288 ? 11.818 4.487 -28.935 1.00 43.36 ? 299 ILE d CG2 1 ? ? +40543 ATOM C CD1 . ILE X 20 288 ? 14.603 4.607 -27.601 1.00 43.62 ? 299 ILE d CD1 1 ? ? +40544 ATOM C C . ILE X 20 288 ? 9.420 4.610 -27.269 1.00 43.49 ? 299 ILE d C 1 ? ? +40545 ATOM O O . ILE X 20 288 ? 8.842 5.198 -28.170 1.00 43.52 ? 299 ILE d O 1 ? ? +40546 ATOM N N . SER X 20 289 ? 8.935 3.488 -26.744 1.00 43.41 ? 300 SER d N 1 ? ? +40547 ATOM C CA . SER X 20 289 ? 7.659 2.934 -27.197 1.00 43.47 ? 300 SER d CA 1 ? ? +40548 ATOM C CB . SER X 20 289 ? 7.290 1.667 -26.440 1.00 43.13 ? 300 SER d CB 1 ? ? +40549 ATOM O OG . SER X 20 289 ? 7.282 1.886 -25.041 1.00 43.16 ? 300 SER d OG 1 ? ? +40550 ATOM C C . SER X 20 289 ? 6.523 3.945 -27.089 1.00 43.94 ? 300 SER d C 1 ? ? +40551 ATOM O O . SER X 20 289 ? 5.760 4.112 -28.025 1.00 44.16 ? 300 SER d O 1 ? ? +40552 ATOM N N . GLN X 20 290 ? 6.448 4.645 -25.956 1.00 44.45 ? 301 GLN d N 1 ? ? +40553 ATOM C CA . GLN X 20 290 ? 5.472 5.705 -25.760 1.00 44.97 ? 301 GLN d CA 1 ? ? +40554 ATOM C CB . GLN X 20 290 ? 5.672 6.383 -24.411 1.00 45.26 ? 301 GLN d CB 1 ? ? +40555 ATOM C CG . GLN X 20 290 ? 5.452 5.502 -23.205 1.00 45.25 ? 301 GLN d CG 1 ? ? +40556 ATOM C CD . GLN X 20 290 ? 4.005 5.478 -22.829 1.00 45.50 ? 301 GLN d CD 1 ? ? +40557 ATOM O OE1 . GLN X 20 290 ? 3.368 6.523 -22.660 1.00 45.86 ? 301 GLN d OE1 1 ? ? +40558 ATOM N NE2 . GLN X 20 290 ? 3.467 4.296 -22.692 1.00 45.44 ? 301 GLN d NE2 1 ? ? +40559 ATOM C C . GLN X 20 290 ? 5.554 6.822 -26.791 1.00 45.37 ? 301 GLN d C 1 ? ? +40560 ATOM O O . GLN X 20 290 ? 4.535 7.368 -27.213 1.00 45.75 ? 301 GLN d O 1 ? ? +40561 ATOM N N . GLU X 20 291 ? 6.778 7.212 -27.137 1.00 45.49 ? 302 GLU d N 1 ? ? +40562 ATOM C CA . GLU X 20 291 ? 6.974 8.371 -27.982 1.00 45.86 ? 302 GLU d CA 1 ? ? +40563 ATOM C CB . GLU X 20 291 ? 8.439 8.858 -27.923 1.00 45.77 ? 302 GLU d CB 1 ? ? +40564 ATOM C CG . GLU X 20 291 ? 8.827 9.392 -26.558 1.00 45.67 ? 302 GLU d CG 1 ? ? +40565 ATOM C CD . GLU X 20 291 ? 8.101 10.631 -26.085 1.00 45.87 ? 302 GLU d CD 1 ? ? +40566 ATOM O OE1 . GLU X 20 291 ? 7.296 11.205 -26.846 1.00 46.14 ? 302 GLU d OE1 1 ? ? +40567 ATOM O OE2 . GLU X 20 291 ? 8.329 11.028 -24.925 1.00 45.83 ? 302 GLU d OE2 1 ? ? +40568 ATOM C C . GLU X 20 291 ? 6.561 8.030 -29.404 1.00 46.19 ? 302 GLU d C 1 ? ? +40569 ATOM O O . GLU X 20 291 ? 5.963 8.861 -30.080 1.00 46.82 ? 302 GLU d O 1 ? ? +40570 ATOM N N . ILE X 20 292 ? 6.888 6.813 -29.845 1.00 46.27 ? 303 ILE d N 1 ? ? +40571 ATOM C CA . ILE X 20 292 ? 6.522 6.356 -31.173 1.00 46.57 ? 303 ILE d CA 1 ? ? +40572 ATOM C CB . ILE X 20 292 ? 7.210 5.005 -31.495 1.00 46.17 ? 303 ILE d CB 1 ? ? +40573 ATOM C CG1 . ILE X 20 292 ? 8.721 5.190 -31.668 1.00 46.16 ? 303 ILE d CG1 1 ? ? +40574 ATOM C CG2 . ILE X 20 292 ? 6.612 4.361 -32.728 1.00 46.11 ? 303 ILE d CG2 1 ? ? +40575 ATOM C CD1 . ILE X 20 292 ? 9.447 3.904 -31.895 1.00 45.92 ? 303 ILE d CD1 1 ? ? +40576 ATOM C C . ILE X 20 292 ? 5.000 6.310 -31.300 1.00 47.11 ? 303 ILE d C 1 ? ? +40577 ATOM O O . ILE X 20 292 ? 4.445 6.807 -32.263 1.00 47.29 ? 303 ILE d O 1 ? ? +40578 ATOM N N . ARG X 20 293 ? 4.318 5.731 -30.317 1.00 47.75 ? 304 ARG d N 1 ? ? +40579 ATOM C CA . ARG X 20 293 ? 2.864 5.703 -30.340 1.00 48.76 ? 304 ARG d CA 1 ? ? +40580 ATOM C CB . ARG X 20 293 ? 2.332 4.945 -29.127 1.00 49.49 ? 304 ARG d CB 1 ? ? +40581 ATOM C CG . ARG X 20 293 ? 0.817 4.878 -29.033 1.00 50.40 ? 304 ARG d CG 1 ? ? +40582 ATOM C CD . ARG X 20 293 ? 0.225 4.128 -30.167 1.00 51.29 ? 304 ARG d CD 1 ? ? +40583 ATOM N NE . ARG X 20 293 ? -1.236 4.154 -30.133 1.00 52.50 ? 304 ARG d NE 1 ? ? +40584 ATOM C CZ . ARG X 20 293 ? -1.977 3.462 -29.280 1.00 53.16 ? 304 ARG d CZ 1 ? ? +40585 ATOM N NH1 . ARG X 20 293 ? -1.436 2.622 -28.403 1.00 52.83 ? 304 ARG d NH1 1 ? ? +40586 ATOM N NH2 . ARG X 20 293 ? -3.301 3.593 -29.328 1.00 54.06 ? 304 ARG d NH2 1 ? ? +40587 ATOM C C . ARG X 20 293 ? 2.303 7.124 -30.378 1.00 49.04 ? 304 ARG d C 1 ? ? +40588 ATOM O O . ARG X 20 293 ? 1.488 7.437 -31.237 1.00 48.78 ? 304 ARG d O 1 ? ? +40589 ATOM N N . ALA X 20 294 ? 2.804 7.995 -29.488 1.00 49.00 ? 305 ALA d N 1 ? ? +40590 ATOM C CA . ALA X 20 294 ? 2.270 9.336 -29.336 1.00 49.19 ? 305 ALA d CA 1 ? ? +40591 ATOM C CB . ALA X 20 294 ? 2.913 10.009 -28.143 1.00 49.20 ? 305 ALA d CB 1 ? ? +40592 ATOM C C . ALA X 20 294 ? 2.445 10.196 -30.583 1.00 49.60 ? 305 ALA d C 1 ? ? +40593 ATOM O O . ALA X 20 294 ? 1.526 10.904 -30.979 1.00 50.24 ? 305 ALA d O 1 ? ? +40594 ATOM N N . ALA X 20 295 ? 3.629 10.125 -31.195 1.00 49.38 ? 306 ALA d N 1 ? ? +40595 ATOM C CA . ALA X 20 295 ? 3.910 10.860 -32.413 1.00 49.76 ? 306 ALA d CA 1 ? ? +40596 ATOM C CB . ALA X 20 295 ? 5.340 10.583 -32.867 1.00 49.72 ? 306 ALA d CB 1 ? ? +40597 ATOM C C . ALA X 20 295 ? 2.939 10.510 -33.533 1.00 50.00 ? 306 ALA d C 1 ? ? +40598 ATOM O O . ALA X 20 295 ? 2.534 11.386 -34.279 1.00 50.63 ? 306 ALA d O 1 ? ? +40599 ATOM N N . GLU X 20 296 ? 2.590 9.230 -33.658 1.00 50.32 ? 307 GLU d N 1 ? ? +40600 ATOM C CA . GLU X 20 296 ? 1.693 8.759 -34.706 1.00 51.19 ? 307 GLU d CA 1 ? ? +40601 ATOM C CB . GLU X 20 296 ? 1.908 7.272 -34.984 1.00 52.39 ? 307 GLU d CB 1 ? ? +40602 ATOM C CG . GLU X 20 296 ? 3.213 6.903 -35.649 1.00 54.01 ? 307 GLU d CG 1 ? ? +40603 ATOM C CD . GLU X 20 296 ? 3.444 5.396 -35.657 1.00 55.49 ? 307 GLU d CD 1 ? ? +40604 ATOM O OE1 . GLU X 20 296 ? 2.595 4.655 -35.098 1.00 56.18 ? 307 GLU d OE1 1 ? ? +40605 ATOM O OE2 . GLU X 20 296 ? 4.489 4.959 -36.200 1.00 57.63 ? 307 GLU d OE2 1 ? ? +40606 ATOM C C . GLU X 20 296 ? 0.210 8.886 -34.365 1.00 50.49 ? 307 GLU d C 1 ? ? +40607 ATOM O O . GLU X 20 296 ? -0.620 8.932 -35.259 1.00 50.50 ? 307 GLU d O 1 ? ? +40608 ATOM N N . ASP X 20 297 ? -0.106 8.895 -33.069 1.00 49.80 ? 308 ASP d N 1 ? ? +40609 ATOM C CA . ASP X 20 297 ? -1.470 8.782 -32.593 1.00 49.54 ? 308 ASP d CA 1 ? ? +40610 ATOM C CB . ASP X 20 297 ? -1.647 7.473 -31.866 1.00 49.28 ? 308 ASP d CB 1 ? ? +40611 ATOM C CG . ASP X 20 297 ? -3.067 7.220 -31.445 1.00 49.88 ? 308 ASP d CG 1 ? ? +40612 ATOM O OD1 . ASP X 20 297 ? -3.938 8.120 -31.671 1.00 50.02 ? 308 ASP d OD1 1 ? ? +40613 ATOM O OD2 . ASP X 20 297 ? -3.322 6.136 -30.886 1.00 50.27 ? 308 ASP d OD2 1 ? ? +40614 ATOM C C . ASP X 20 297 ? -1.817 9.944 -31.672 1.00 49.35 ? 308 ASP d C 1 ? ? +40615 ATOM O O . ASP X 20 297 ? -1.596 9.877 -30.463 1.00 48.94 ? 308 ASP d O 1 ? ? +40616 ATOM N N . PRO X 20 298 ? -2.373 11.048 -32.223 1.00 49.54 ? 309 PRO d N 1 ? ? +40617 ATOM C CA . PRO X 20 298 ? -2.733 12.215 -31.414 1.00 49.69 ? 309 PRO d CA 1 ? ? +40618 ATOM C CB . PRO X 20 298 ? -3.111 13.260 -32.469 1.00 50.07 ? 309 PRO d CB 1 ? ? +40619 ATOM C CG . PRO X 20 298 ? -2.552 12.744 -33.769 1.00 49.92 ? 309 PRO d CG 1 ? ? +40620 ATOM C CD . PRO X 20 298 ? -2.617 11.270 -33.658 1.00 49.62 ? 309 PRO d CD 1 ? ? +40621 ATOM C C . PRO X 20 298 ? -3.861 12.039 -30.395 1.00 49.51 ? 309 PRO d C 1 ? ? +40622 ATOM O O . PRO X 20 298 ? -4.207 12.992 -29.719 1.00 49.56 ? 309 PRO d O 1 ? ? +40623 ATOM N N . GLU X 20 299 ? -4.414 10.832 -30.250 1.00 49.31 ? 310 GLU d N 1 ? ? +40624 ATOM C CA . GLU X 20 299 ? -5.361 10.581 -29.175 1.00 49.60 ? 310 GLU d CA 1 ? ? +40625 ATOM C CB . GLU X 20 299 ? -6.591 9.862 -29.705 1.00 50.24 ? 310 GLU d CB 1 ? ? +40626 ATOM C CG . GLU X 20 299 ? -7.363 10.686 -30.690 1.00 51.14 ? 310 GLU d CG 1 ? ? +40627 ATOM C CD . GLU X 20 299 ? -8.739 10.133 -30.884 1.00 51.97 ? 310 GLU d CD 1 ? ? +40628 ATOM O OE1 . GLU X 20 299 ? -9.573 10.329 -29.975 1.00 52.74 ? 310 GLU d OE1 1 ? ? +40629 ATOM O OE2 . GLU X 20 299 ? -8.968 9.442 -31.899 1.00 52.60 ? 310 GLU d OE2 1 ? ? +40630 ATOM C C . GLU X 20 299 ? -4.785 9.762 -28.030 1.00 48.87 ? 310 GLU d C 1 ? ? +40631 ATOM O O . GLU X 20 299 ? -5.471 9.470 -27.061 1.00 48.99 ? 310 GLU d O 1 ? ? +40632 ATOM N N . PHE X 20 300 ? -3.510 9.397 -28.139 1.00 48.25 ? 311 PHE d N 1 ? ? +40633 ATOM C CA . PHE X 20 300 ? -2.851 8.631 -27.104 1.00 47.43 ? 311 PHE d CA 1 ? ? +40634 ATOM C CB . PHE X 20 300 ? -1.806 7.728 -27.729 1.00 46.96 ? 311 PHE d CB 1 ? ? +40635 ATOM C CG . PHE X 20 300 ? -1.084 6.864 -26.741 1.00 46.49 ? 311 PHE d CG 1 ? ? +40636 ATOM C CD1 . PHE X 20 300 ? -1.733 5.833 -26.101 1.00 46.23 ? 311 PHE d CD1 1 ? ? +40637 ATOM C CD2 . PHE X 20 300 ? 0.253 7.087 -26.448 1.00 46.27 ? 311 PHE d CD2 1 ? ? +40638 ATOM C CE1 . PHE X 20 300 ? -1.068 5.046 -25.189 1.00 45.99 ? 311 PHE d CE1 1 ? ? +40639 ATOM C CE2 . PHE X 20 300 ? 0.910 6.300 -25.539 1.00 45.97 ? 311 PHE d CE2 1 ? ? +40640 ATOM C CZ . PHE X 20 300 ? 0.253 5.280 -24.913 1.00 45.83 ? 311 PHE d CZ 1 ? ? +40641 ATOM C C . PHE X 20 300 ? -2.247 9.612 -26.106 1.00 47.41 ? 311 PHE d C 1 ? ? +40642 ATOM O O . PHE X 20 300 ? -1.460 10.482 -26.479 1.00 47.62 ? 311 PHE d O 1 ? ? +40643 ATOM N N A GLU X 20 301 ? -2.629 9.458 -24.835 0.40 47.38 ? 312 GLU d N 1 ? ? +40644 ATOM N N B GLU X 20 301 ? -2.614 9.447 -24.834 0.60 47.27 ? 312 GLU d N 1 ? ? +40645 ATOM C CA A GLU X 20 301 ? -2.171 10.330 -23.769 0.40 47.41 ? 312 GLU d CA 1 ? ? +40646 ATOM C CA B GLU X 20 301 ? -2.125 10.296 -23.763 0.60 47.24 ? 312 GLU d CA 1 ? ? +40647 ATOM C C A GLU X 20 301 ? -2.051 9.527 -22.478 0.40 47.16 ? 312 GLU d C 1 ? ? +40648 ATOM C C B GLU X 20 301 ? -1.987 9.487 -22.474 0.60 46.94 ? 312 GLU d C 1 ? ? +40649 ATOM O O A GLU X 20 301 ? -2.964 8.789 -22.102 0.40 47.20 ? 312 GLU d O 1 ? ? +40650 ATOM O O B GLU X 20 301 ? -2.891 8.742 -22.089 0.60 46.97 ? 312 GLU d O 1 ? ? +40651 ATOM C CB A GLU X 20 301 ? -3.134 11.516 -23.585 0.40 47.91 ? 312 GLU d CB 1 ? ? +40652 ATOM C CB B GLU X 20 301 ? -3.072 11.487 -23.575 0.60 47.73 ? 312 GLU d CB 1 ? ? +40653 ATOM C CG A GLU X 20 301 ? -2.661 12.541 -22.563 0.40 48.12 ? 312 GLU d CG 1 ? ? +40654 ATOM C CG B GLU X 20 301 ? -2.571 12.541 -22.600 0.60 47.92 ? 312 GLU d CG 1 ? ? +40655 ATOM C CD A GLU X 20 301 ? -3.412 13.856 -22.579 0.40 48.62 ? 312 GLU d CD 1 ? ? +40656 ATOM C CD B GLU X 20 301 ? -3.354 13.835 -22.616 0.60 48.42 ? 312 GLU d CD 1 ? ? +40657 ATOM O OE1 A GLU X 20 301 ? -4.461 13.928 -23.256 0.40 48.93 ? 312 GLU d OE1 1 ? ? +40658 ATOM O OE1 B GLU X 20 301 ? -4.494 13.824 -23.129 0.60 48.75 ? 312 GLU d OE1 1 ? ? +40659 ATOM O OE2 A GLU X 20 301 ? -2.949 14.820 -21.928 0.40 48.85 ? 312 GLU d OE2 1 ? ? +40660 ATOM O OE2 B GLU X 20 301 ? -2.832 14.865 -22.132 0.60 48.67 ? 312 GLU d OE2 1 ? ? +40661 ATOM N N A THR X 20 302 ? -0.903 9.675 -21.810 0.40 46.91 ? 313 THR d N 1 ? ? +40662 ATOM N N B THR X 20 302 ? -0.833 9.634 -21.815 0.60 46.65 ? 313 THR d N 1 ? ? +40663 ATOM C CA A THR X 20 302 ? -0.662 9.038 -20.527 0.40 46.66 ? 313 THR d CA 1 ? ? +40664 ATOM C CA B THR X 20 302 ? -0.571 8.966 -20.551 0.60 46.33 ? 313 THR d CA 1 ? ? +40665 ATOM C C A THR X 20 302 ? -0.132 10.096 -19.567 0.40 46.72 ? 313 THR d C 1 ? ? +40666 ATOM C C B THR X 20 302 ? -0.125 10.037 -19.564 0.60 46.35 ? 313 THR d C 1 ? ? +40667 ATOM O O A THR X 20 302 ? 0.134 11.223 -19.978 0.40 46.96 ? 313 THR d O 1 ? ? +40668 ATOM O O B THR X 20 302 ? 0.130 11.167 -19.971 0.60 46.58 ? 313 THR d O 1 ? ? +40669 ATOM C CB A THR X 20 302 ? 0.317 7.871 -20.670 0.40 46.28 ? 313 THR d CB 1 ? ? +40670 ATOM C CB B THR X 20 302 ? 0.463 7.846 -20.749 0.60 45.96 ? 313 THR d CB 1 ? ? +40671 ATOM O OG1 A THR X 20 302 ? 1.607 8.391 -20.980 0.40 46.16 ? 313 THR d OG1 1 ? ? +40672 ATOM O OG1 B THR X 20 302 ? 1.669 8.404 -21.248 0.60 45.83 ? 313 THR d OG1 1 ? ? +40673 ATOM C CG2 A THR X 20 302 ? -0.115 6.879 -21.735 0.40 46.11 ? 313 THR d CG2 1 ? ? +40674 ATOM C CG2 B THR X 20 302 ? -0.016 6.777 -21.714 0.60 45.79 ? 313 THR d CG2 1 ? ? +40675 ATOM N N A PHE X 20 303 ? 0.011 9.725 -18.292 0.40 46.53 ? 314 PHE d N 1 ? ? +40676 ATOM N N B PHE X 20 303 ? -0.035 9.682 -18.277 0.60 46.14 ? 314 PHE d N 1 ? ? +40677 ATOM C CA A PHE X 20 303 ? 0.648 10.598 -17.323 0.40 46.61 ? 314 PHE d CA 1 ? ? +40678 ATOM C CA B PHE X 20 303 ? 0.623 10.543 -17.306 0.60 46.18 ? 314 PHE d CA 1 ? ? +40679 ATOM C C A PHE X 20 303 ? 2.126 10.800 -17.652 0.40 46.38 ? 314 PHE d C 1 ? ? +40680 ATOM C C B PHE X 20 303 ? 2.106 10.755 -17.624 0.60 45.94 ? 314 PHE d C 1 ? ? +40681 ATOM O O A PHE X 20 303 ? 2.738 11.760 -17.197 0.40 46.59 ? 314 PHE d O 1 ? ? +40682 ATOM O O B PHE X 20 303 ? 2.717 11.686 -17.111 0.60 46.14 ? 314 PHE d O 1 ? ? +40683 ATOM C CB A PHE X 20 303 ? 0.472 10.046 -15.907 0.40 46.60 ? 314 PHE d CB 1 ? ? +40684 ATOM C CB B PHE X 20 303 ? 0.461 9.996 -15.879 0.60 46.16 ? 314 PHE d CB 1 ? ? +40685 ATOM C CG A PHE X 20 303 ? -0.857 10.413 -15.312 0.40 46.90 ? 314 PHE d CG 1 ? ? +40686 ATOM C CG B PHE X 20 303 ? -0.856 10.375 -15.271 0.60 46.46 ? 314 PHE d CG 1 ? ? +40687 ATOM C CD1 A PHE X 20 303 ? -1.126 11.712 -14.925 0.40 47.29 ? 314 PHE d CD1 1 ? ? +40688 ATOM C CD1 B PHE X 20 303 ? -1.132 11.689 -14.939 0.60 46.84 ? 314 PHE d CD1 1 ? ? +40689 ATOM C CD2 A PHE X 20 303 ? -1.855 9.468 -15.172 0.40 46.87 ? 314 PHE d CD2 1 ? ? +40690 ATOM C CD2 B PHE X 20 303 ? -1.842 9.425 -15.064 0.60 46.42 ? 314 PHE d CD2 1 ? ? +40691 ATOM C CE1 A PHE X 20 303 ? -2.366 12.052 -14.389 0.40 47.59 ? 314 PHE d CE1 1 ? ? +40692 ATOM C CE1 B PHE X 20 303 ? -2.376 12.043 -14.402 0.60 47.14 ? 314 PHE d CE1 1 ? ? +40693 ATOM C CE2 A PHE X 20 303 ? -3.090 9.814 -14.641 0.40 47.16 ? 314 PHE d CE2 1 ? ? +40694 ATOM C CE2 B PHE X 20 303 ? -3.075 9.785 -14.532 0.60 46.71 ? 314 PHE d CE2 1 ? ? +40695 ATOM C CZ A PHE X 20 303 ? -3.335 11.102 -14.254 0.40 47.51 ? 314 PHE d CZ 1 ? ? +40696 ATOM C CZ B PHE X 20 303 ? -3.329 11.089 -14.201 0.60 47.05 ? 314 PHE d CZ 1 ? ? +40697 ATOM N N A TYR X 20 304 ? 2.692 9.895 -18.454 0.40 45.95 ? 315 TYR d N 1 ? ? +40698 ATOM N N B TYR X 20 304 ? 2.675 9.891 -18.472 0.60 45.50 ? 315 TYR d N 1 ? ? +40699 ATOM C CA A TYR X 20 304 ? 4.059 10.055 -18.918 0.40 45.75 ? 315 TYR d CA 1 ? ? +40700 ATOM C CA B TYR X 20 304 ? 4.031 10.071 -18.961 0.60 45.28 ? 315 TYR d CA 1 ? ? +40701 ATOM C C A TYR X 20 304 ? 4.155 11.249 -19.866 0.40 45.93 ? 315 TYR d C 1 ? ? +40702 ATOM C C B TYR X 20 304 ? 4.134 11.254 -19.922 0.60 45.46 ? 315 TYR d C 1 ? ? +40703 ATOM O O A TYR X 20 304 ? 4.989 12.129 -19.666 0.40 46.11 ? 315 TYR d O 1 ? ? +40704 ATOM O O B TYR X 20 304 ? 5.008 12.102 -19.753 0.60 45.63 ? 315 TYR d O 1 ? ? +40705 ATOM C CB A TYR X 20 304 ? 4.567 8.761 -19.572 0.40 45.37 ? 315 TYR d CB 1 ? ? +40706 ATOM C CB B TYR X 20 304 ? 4.521 8.777 -19.616 0.60 44.91 ? 315 TYR d CB 1 ? ? +40707 ATOM C CG A TYR X 20 304 ? 5.771 8.969 -20.455 0.40 45.29 ? 315 TYR d CG 1 ? ? +40708 ATOM C CG B TYR X 20 304 ? 5.723 8.953 -20.506 0.60 44.83 ? 315 TYR d CG 1 ? ? +40709 ATOM C CD1 A TYR X 20 304 ? 7.041 9.115 -19.914 0.40 45.27 ? 315 TYR d CD1 1 ? ? +40710 ATOM C CD1 B TYR X 20 304 ? 7.004 9.015 -19.975 0.60 44.77 ? 315 TYR d CD1 1 ? ? +40711 ATOM C CD2 A TYR X 20 304 ? 5.638 9.047 -21.830 0.40 45.26 ? 315 TYR d CD2 1 ? ? +40712 ATOM C CD2 B TYR X 20 304 ? 5.579 9.087 -21.876 0.60 44.82 ? 315 TYR d CD2 1 ? ? +40713 ATOM C CE1 A TYR X 20 304 ? 8.151 9.326 -20.724 0.40 45.25 ? 315 TYR d CE1 1 ? ? +40714 ATOM C CE1 B TYR X 20 304 ? 8.115 9.184 -20.793 0.60 44.75 ? 315 TYR d CE1 1 ? ? +40715 ATOM C CE2 A TYR X 20 304 ? 6.736 9.264 -22.648 0.40 45.23 ? 315 TYR d CE2 1 ? ? +40716 ATOM C CE2 B TYR X 20 304 ? 6.680 9.261 -22.703 0.60 44.78 ? 315 TYR d CE2 1 ? ? +40717 ATOM C CZ A TYR X 20 304 ? 7.993 9.397 -22.092 0.40 45.21 ? 315 TYR d CZ 1 ? ? +40718 ATOM C CZ B TYR X 20 304 ? 7.950 9.309 -22.158 0.60 44.72 ? 315 TYR d CZ 1 ? ? +40719 ATOM O OH A TYR X 20 304 ? 9.069 9.611 -22.910 0.40 45.13 ? 315 TYR d OH 1 ? ? +40720 ATOM O OH B TYR X 20 304 ? 9.023 9.486 -22.988 0.60 44.63 ? 315 TYR d OH 1 ? ? +40721 ATOM N N A THR X 20 305 ? 3.277 11.305 -20.877 0.40 45.90 ? 316 THR d N 1 ? ? +40722 ATOM N N B THR X 20 305 ? 3.243 11.324 -20.923 0.60 45.41 ? 316 THR d N 1 ? ? +40723 ATOM C CA A THR X 20 305 ? 3.293 12.414 -21.821 0.40 46.08 ? 316 THR d CA 1 ? ? +40724 ATOM C CA B THR X 20 305 ? 3.281 12.425 -21.878 0.60 45.57 ? 316 THR d CA 1 ? ? +40725 ATOM C C A THR X 20 305 ? 2.924 13.736 -21.151 0.40 46.39 ? 316 THR d C 1 ? ? +40726 ATOM C C B THR X 20 305 ? 2.949 13.761 -21.217 0.60 45.86 ? 316 THR d C 1 ? ? +40727 ATOM O O A THR X 20 305 ? 3.475 14.782 -21.482 0.40 46.55 ? 316 THR d O 1 ? ? +40728 ATOM O O B THR X 20 305 ? 3.472 14.799 -21.613 0.60 46.01 ? 316 THR d O 1 ? ? +40729 ATOM C CB A THR X 20 305 ? 2.394 12.140 -23.037 0.40 46.10 ? 316 THR d CB 1 ? ? +40730 ATOM C CB B THR X 20 305 ? 2.361 12.214 -23.103 0.60 45.62 ? 316 THR d CB 1 ? ? +40731 ATOM O OG1 A THR X 20 305 ? 1.032 11.954 -22.629 0.40 46.25 ? 316 THR d OG1 1 ? ? +40732 ATOM O OG1 B THR X 20 305 ? 0.966 12.201 -22.722 0.60 45.83 ? 316 THR d OG1 1 ? ? +40733 ATOM C CG2 A THR X 20 305 ? 2.856 10.944 -23.816 0.40 45.75 ? 316 THR d CG2 1 ? ? +40734 ATOM C CG2 B THR X 20 305 ? 2.719 10.968 -23.860 0.60 45.27 ? 316 THR d CG2 1 ? ? +40735 ATOM N N A LYS X 20 306 ? 1.987 13.689 -20.201 0.40 46.46 ? 317 LYS d N 1 ? ? +40736 ATOM N N B LYS X 20 306 ? 2.062 13.722 -20.217 0.60 45.92 ? 317 LYS d N 1 ? ? +40737 ATOM C CA A LYS X 20 306 ? 1.583 14.885 -19.486 0.40 46.80 ? 317 LYS d CA 1 ? ? +40738 ATOM C CA B LYS X 20 306 ? 1.651 14.917 -19.502 0.60 46.25 ? 317 LYS d CA 1 ? ? +40739 ATOM C C A LYS X 20 306 ? 2.774 15.499 -18.758 0.40 46.86 ? 317 LYS d C 1 ? ? +40740 ATOM C C B LYS X 20 306 ? 2.862 15.509 -18.790 0.60 46.28 ? 317 LYS d C 1 ? ? +40741 ATOM O O A LYS X 20 306 ? 2.938 16.714 -18.739 0.40 47.21 ? 317 LYS d O 1 ? ? +40742 ATOM O O B LYS X 20 306 ? 3.133 16.699 -18.893 0.60 46.61 ? 317 LYS d O 1 ? ? +40743 ATOM C CB A LYS X 20 306 ? 0.451 14.572 -18.503 0.40 46.84 ? 317 LYS d CB 1 ? ? +40744 ATOM C CB B LYS X 20 306 ? 0.503 14.596 -18.524 0.60 46.29 ? 317 LYS d CB 1 ? ? +40745 ATOM C CG A LYS X 20 306 ? -0.881 14.333 -19.180 0.40 46.92 ? 317 LYS d CG 1 ? ? +40746 ATOM C CG B LYS X 20 306 ? -0.818 14.341 -19.227 0.60 46.36 ? 317 LYS d CG 1 ? ? +40747 ATOM C CD A LYS X 20 306 ? -1.959 13.799 -18.231 0.40 46.97 ? 317 LYS d CD 1 ? ? +40748 ATOM C CD B LYS X 20 306 ? -1.920 13.766 -18.311 0.60 46.39 ? 317 LYS d CD 1 ? ? +40749 ATOM C CE A LYS X 20 306 ? -2.245 14.730 -17.076 0.40 47.31 ? 317 LYS d CE 1 ? ? +40750 ATOM C CE B LYS X 20 306 ? -2.286 14.666 -17.153 0.60 46.73 ? 317 LYS d CE 1 ? ? +40751 ATOM N NZ A LYS X 20 306 ? -2.859 16.003 -17.536 0.40 47.71 ? 317 LYS d NZ 1 ? ? +40752 ATOM N NZ B LYS X 20 306 ? -2.906 15.935 -17.615 0.60 47.15 ? 317 LYS d NZ 1 ? ? +40753 ATOM N N A ASN X 20 307 ? 3.612 14.653 -18.158 0.40 46.60 ? 318 ASN d N 1 ? ? +40754 ATOM N N B ASN X 20 307 ? 3.613 14.660 -18.093 0.60 46.05 ? 318 ASN d N 1 ? ? +40755 ATOM C CA A ASN X 20 307 ? 4.716 15.141 -17.350 0.40 46.69 ? 318 ASN d CA 1 ? ? +40756 ATOM C CA B ASN X 20 307 ? 4.750 15.120 -17.317 0.60 46.12 ? 318 ASN d CA 1 ? ? +40757 ATOM C C A ASN X 20 307 ? 5.835 15.764 -18.186 0.40 46.76 ? 318 ASN d C 1 ? ? +40758 ATOM C C B ASN X 20 307 ? 5.871 15.708 -18.177 0.60 46.19 ? 318 ASN d C 1 ? ? +40759 ATOM O O A ASN X 20 307 ? 6.519 16.671 -17.717 0.40 47.03 ? 318 ASN d O 1 ? ? +40760 ATOM O O B ASN X 20 307 ? 6.586 16.599 -17.725 0.60 46.45 ? 318 ASN d O 1 ? ? +40761 ATOM C CB A ASN X 20 307 ? 5.238 14.024 -16.460 0.40 46.43 ? 318 ASN d CB 1 ? ? +40762 ATOM C CB B ASN X 20 307 ? 5.228 13.987 -16.427 0.60 45.84 ? 318 ASN d CB 1 ? ? +40763 ATOM C CG A ASN X 20 307 ? 4.302 13.720 -15.311 0.40 46.51 ? 318 ASN d CG 1 ? ? +40764 ATOM C CG B ASN X 20 307 ? 4.283 13.747 -15.271 0.60 45.93 ? 318 ASN d CG 1 ? ? +40765 ATOM O OD1 A ASN X 20 307 ? 3.391 14.496 -14.997 0.40 46.84 ? 318 ASN d OD1 1 ? ? +40766 ATOM O OD1 B ASN X 20 307 ? 3.498 14.624 -14.880 0.60 46.25 ? 318 ASN d OD1 1 ? ? +40767 ATOM N ND2 A ASN X 20 307 ? 4.508 12.600 -14.640 0.40 46.29 ? 318 ASN d ND2 1 ? ? +40768 ATOM N ND2 B ASN X 20 307 ? 4.340 12.573 -14.672 0.60 45.68 ? 318 ASN d ND2 1 ? ? +40769 ATOM N N A LEU X 20 308 ? 6.005 15.290 -19.426 0.40 46.55 ? 319 LEU d N 1 ? ? +40770 ATOM N N B LEU X 20 308 ? 5.997 15.246 -19.425 0.60 46.01 ? 319 LEU d N 1 ? ? +40771 ATOM C CA A LEU X 20 308 ? 6.988 15.862 -20.331 0.40 46.68 ? 319 LEU d CA 1 ? ? +40772 ATOM C CA B LEU X 20 308 ? 6.958 15.830 -20.346 0.60 46.15 ? 319 LEU d CA 1 ? ? +40773 ATOM C C A LEU X 20 308 ? 6.616 17.292 -20.711 0.40 47.10 ? 319 LEU d C 1 ? ? +40774 ATOM C C B LEU X 20 308 ? 6.603 17.264 -20.730 0.60 46.57 ? 319 LEU d C 1 ? ? +40775 ATOM O O A LEU X 20 308 ? 7.482 18.158 -20.822 0.40 47.33 ? 319 LEU d O 1 ? ? +40776 ATOM O O B LEU X 20 308 ? 7.480 18.119 -20.836 0.60 46.79 ? 319 LEU d O 1 ? ? +40777 ATOM C CB A LEU X 20 308 ? 7.124 15.029 -21.607 0.40 46.45 ? 319 LEU d CB 1 ? ? +40778 ATOM C CB B LEU X 20 308 ? 7.079 14.971 -21.605 0.60 45.94 ? 319 LEU d CB 1 ? ? +40779 ATOM C CG A LEU X 20 308 ? 7.748 13.647 -21.442 0.40 46.09 ? 319 LEU d CG 1 ? ? +40780 ATOM C CG B LEU X 20 308 ? 7.780 13.619 -21.430 0.60 45.62 ? 319 LEU d CG 1 ? ? +40781 ATOM C CD1 A LEU X 20 308 ? 8.250 13.127 -22.756 0.40 45.92 ? 319 LEU d CD1 1 ? ? +40782 ATOM C CD1 B LEU X 20 308 ? 8.264 13.076 -22.752 0.60 45.44 ? 319 LEU d CD1 1 ? ? +40783 ATOM C CD2 A LEU X 20 308 ? 8.877 13.658 -20.439 0.40 46.15 ? 319 LEU d CD2 1 ? ? +40784 ATOM C CD2 B LEU X 20 308 ? 8.956 13.707 -20.494 0.60 45.69 ? 319 LEU d CD2 1 ? ? +40785 ATOM N N A LEU X 20 309 ? 5.313 17.535 -20.894 0.40 47.21 ? 320 LEU d N 1 ? ? +40786 ATOM N N B LEU X 20 309 ? 5.306 17.530 -20.921 0.60 46.69 ? 320 LEU d N 1 ? ? +40787 ATOM C CA A LEU X 20 309 ? 4.828 18.867 -21.208 0.40 47.61 ? 320 LEU d CA 1 ? ? +40788 ATOM C CA B LEU X 20 309 ? 4.849 18.873 -21.230 0.60 47.08 ? 320 LEU d CA 1 ? ? +40789 ATOM C C A LEU X 20 309 ? 5.194 19.835 -20.086 0.40 47.93 ? 320 LEU d C 1 ? ? +40790 ATOM C C B LEU X 20 309 ? 5.219 19.836 -20.104 0.60 47.39 ? 320 LEU d C 1 ? ? +40791 ATOM O O A LEU X 20 309 ? 5.610 20.964 -20.340 0.40 48.26 ? 320 LEU d O 1 ? ? +40792 ATOM O O B LEU X 20 309 ? 5.662 20.956 -20.358 0.60 47.70 ? 320 LEU d O 1 ? ? +40793 ATOM C CB A LEU X 20 309 ? 3.321 18.829 -21.451 0.40 47.67 ? 320 LEU d CB 1 ? ? +40794 ATOM C CB B LEU X 20 309 ? 3.337 18.849 -21.483 0.60 47.14 ? 320 LEU d CB 1 ? ? +40795 ATOM C CG A LEU X 20 309 ? 2.914 18.235 -22.791 0.40 47.46 ? 320 LEU d CG 1 ? ? +40796 ATOM C CG B LEU X 20 309 ? 2.915 18.200 -22.796 0.60 46.92 ? 320 LEU d CG 1 ? ? +40797 ATOM C CD1 A LEU X 20 309 ? 1.433 17.971 -22.845 0.40 47.50 ? 320 LEU d CD1 1 ? ? +40798 ATOM C CD1 B LEU X 20 309 ? 1.432 17.961 -22.832 0.60 46.97 ? 320 LEU d CD1 1 ? ? +40799 ATOM C CD2 A LEU X 20 309 ? 3.317 19.147 -23.926 0.40 47.71 ? 320 LEU d CD2 1 ? ? +40800 ATOM C CD2 B LEU X 20 309 ? 3.326 19.056 -23.966 0.60 47.15 ? 320 LEU d CD2 1 ? ? +40801 ATOM N N A LEU X 20 310 ? 5.060 19.366 -18.842 0.40 47.88 ? 321 LEU d N 1 ? ? +40802 ATOM N N B LEU X 20 310 ? 5.060 19.371 -18.862 0.60 47.33 ? 321 LEU d N 1 ? ? +40803 ATOM C CA A LEU X 20 310 ? 5.470 20.138 -17.681 0.40 48.21 ? 321 LEU d CA 1 ? ? +40804 ATOM C CA B LEU X 20 310 ? 5.475 20.125 -17.691 0.60 47.65 ? 321 LEU d CA 1 ? ? +40805 ATOM C C A LEU X 20 310 ? 6.975 20.407 -17.682 0.40 48.28 ? 321 LEU d C 1 ? ? +40806 ATOM C C B LEU X 20 310 ? 6.978 20.401 -17.688 0.60 47.72 ? 321 LEU d C 1 ? ? +40807 ATOM O O A LEU X 20 310 ? 7.408 21.513 -17.373 0.40 48.65 ? 321 LEU d O 1 ? ? +40808 ATOM O O B LEU X 20 310 ? 7.395 21.504 -17.361 0.60 48.09 ? 321 LEU d O 1 ? ? +40809 ATOM C CB A LEU X 20 310 ? 5.065 19.383 -16.413 0.40 48.07 ? 321 LEU d CB 1 ? ? +40810 ATOM C CB B LEU X 20 310 ? 5.090 19.356 -16.422 0.60 47.51 ? 321 LEU d CB 1 ? ? +40811 ATOM C CG A LEU X 20 310 ? 3.558 19.122 -16.265 0.40 48.10 ? 321 LEU d CG 1 ? ? +40812 ATOM C CG B LEU X 20 310 ? 3.587 19.076 -16.232 0.60 47.54 ? 321 LEU d CG 1 ? ? +40813 ATOM C CD1 A LEU X 20 310 ? 3.265 18.399 -14.971 0.40 48.01 ? 321 LEU d CD1 1 ? ? +40814 ATOM C CD1 B LEU X 20 310 ? 3.354 18.274 -14.972 0.60 47.41 ? 321 LEU d CD1 1 ? ? +40815 ATOM C CD2 A LEU X 20 310 ? 2.763 20.407 -16.347 0.40 48.55 ? 321 LEU d CD2 1 ? ? +40816 ATOM C CD2 B LEU X 20 310 ? 2.772 20.356 -16.192 0.60 47.99 ? 321 LEU d CD2 1 ? ? +40817 ATOM N N A ASN X 20 311 ? 7.769 19.387 -18.023 0.40 47.98 ? 322 ASN d N 1 ? ? +40818 ATOM N N B ASN X 20 311 ? 7.782 19.396 -18.050 0.60 47.41 ? 322 ASN d N 1 ? ? +40819 ATOM C CA A ASN X 20 311 ? 9.214 19.537 -18.106 0.40 48.09 ? 322 ASN d CA 1 ? ? +40820 ATOM C CA B ASN X 20 311 ? 9.231 19.549 -18.091 0.60 47.53 ? 322 ASN d CA 1 ? ? +40821 ATOM C C A ASN X 20 311 ? 9.590 20.598 -19.135 0.40 48.50 ? 322 ASN d C 1 ? ? +40822 ATOM C C B ASN X 20 311 ? 9.647 20.600 -19.116 0.60 47.97 ? 322 ASN d C 1 ? ? +40823 ATOM O O A ASN X 20 311 ? 10.460 21.426 -18.891 0.40 48.81 ? 322 ASN d O 1 ? ? +40824 ATOM O O B ASN X 20 311 ? 10.545 21.397 -18.862 0.60 48.29 ? 322 ASN d O 1 ? ? +40825 ATOM C CB A ASN X 20 311 ? 9.883 18.224 -18.474 0.40 47.61 ? 322 ASN d CB 1 ? ? +40826 ATOM C CB B ASN X 20 311 ? 9.920 18.230 -18.417 0.60 47.01 ? 322 ASN d CB 1 ? ? +40827 ATOM C CG A ASN X 20 311 ? 9.818 17.193 -17.391 0.40 47.31 ? 322 ASN d CG 1 ? ? +40828 ATOM C CG B ASN X 20 311 ? 9.811 17.198 -17.333 0.60 46.70 ? 322 ASN d CG 1 ? ? +40829 ATOM O OD1 A ASN X 20 311 ? 9.505 17.480 -16.230 0.40 47.42 ? 322 ASN d OD1 1 ? ? +40830 ATOM O OD1 B ASN X 20 311 ? 9.532 17.483 -16.162 0.60 46.79 ? 322 ASN d OD1 1 ? ? +40831 ATOM N ND2 A ASN X 20 311 ? 10.134 15.962 -17.754 0.40 46.96 ? 322 ASN d ND2 1 ? ? +40832 ATOM N ND2 B ASN X 20 311 ? 10.055 15.962 -17.706 0.60 46.34 ? 322 ASN d ND2 1 ? ? +40833 ATOM N N A GLU X 20 312 ? 8.915 20.554 -20.286 0.40 48.54 ? 323 GLU d N 1 ? ? +40834 ATOM N N B GLU X 20 312 ? 8.975 20.584 -20.271 0.60 48.06 ? 323 GLU d N 1 ? ? +40835 ATOM C CA A GLU X 20 312 ? 9.151 21.501 -21.360 0.40 48.93 ? 323 GLU d CA 1 ? ? +40836 ATOM C CA B GLU X 20 312 ? 9.230 21.541 -21.333 0.60 48.48 ? 323 GLU d CA 1 ? ? +40837 ATOM C C A GLU X 20 312 ? 8.808 22.924 -20.930 0.40 49.44 ? 323 GLU d C 1 ? ? +40838 ATOM C C B GLU X 20 312 ? 8.905 22.973 -20.921 0.60 49.03 ? 323 GLU d C 1 ? ? +40839 ATOM O O A GLU X 20 312 ? 9.477 23.874 -21.323 0.40 49.91 ? 323 GLU d O 1 ? ? +40840 ATOM O O B GLU X 20 312 ? 9.602 23.904 -21.310 0.60 49.52 ? 323 GLU d O 1 ? ? +40841 ATOM C CB A GLU X 20 312 ? 8.339 21.088 -22.587 0.40 48.85 ? 323 GLU d CB 1 ? ? +40842 ATOM C CB B GLU X 20 312 ? 8.424 21.156 -22.567 0.60 48.41 ? 323 GLU d CB 1 ? ? +40843 ATOM C CG A GLU X 20 312 ? 8.807 19.763 -23.157 0.40 48.47 ? 323 GLU d CG 1 ? ? +40844 ATOM C CG B GLU X 20 312 ? 8.914 19.863 -23.180 0.60 48.05 ? 323 GLU d CG 1 ? ? +40845 ATOM C CD A GLU X 20 312 ? 7.806 19.055 -24.044 0.40 48.32 ? 323 GLU d CD 1 ? ? +40846 ATOM C CD B GLU X 20 312 ? 7.885 19.121 -23.999 0.60 47.91 ? 323 GLU d CD 1 ? ? +40847 ATOM O OE1 A GLU X 20 312 ? 6.812 19.688 -24.468 0.40 48.56 ? 323 GLU d OE1 1 ? ? +40848 ATOM O OE1 B GLU X 20 312 ? 6.870 19.723 -24.423 0.60 48.13 ? 323 GLU d OE1 1 ? ? +40849 ATOM O OE2 A GLU X 20 312 ? 8.013 17.847 -24.296 0.40 48.04 ? 323 GLU d OE2 1 ? ? +40850 ATOM O OE2 B GLU X 20 312 ? 8.096 17.904 -24.186 0.60 47.65 ? 323 GLU d OE2 1 ? ? +40851 ATOM N N A GLY X 20 313 ? 7.769 23.062 -20.104 0.40 49.45 ? 324 GLY d N 1 ? ? +40852 ATOM N N B GLY X 20 313 ? 7.834 23.145 -20.143 0.60 49.08 ? 324 GLY d N 1 ? ? +40853 ATOM C CA A GLY X 20 313 ? 7.420 24.350 -19.532 0.40 49.86 ? 324 GLY d CA 1 ? ? +40854 ATOM C CA B GLY X 20 313 ? 7.529 24.433 -19.550 0.60 49.51 ? 324 GLY d CA 1 ? ? +40855 ATOM C C A GLY X 20 313 ? 8.499 24.857 -18.580 0.40 50.02 ? 324 GLY d C 1 ? ? +40856 ATOM C C B GLY X 20 313 ? 8.626 24.876 -18.587 0.60 49.68 ? 324 GLY d C 1 ? ? +40857 ATOM O O A GLY X 20 313 ? 8.889 26.019 -18.631 0.40 50.49 ? 324 GLY d O 1 ? ? +40858 ATOM O O B GLY X 20 313 ? 9.124 25.991 -18.671 0.60 50.14 ? 324 GLY d O 1 ? ? +40859 ATOM N N A ILE X 20 314 ? 8.980 23.971 -17.708 0.40 49.69 ? 325 ILE d N 1 ? ? +40860 ATOM N N B ILE X 20 314 ? 9.015 23.991 -17.671 0.60 49.37 ? 325 ILE d N 1 ? ? +40861 ATOM C CA A ILE X 20 314 ? 10.044 24.321 -16.784 0.40 49.85 ? 325 ILE d CA 1 ? ? +40862 ATOM C CA B ILE X 20 314 ? 10.075 24.313 -16.732 0.60 49.57 ? 325 ILE d CA 1 ? ? +40863 ATOM C C A ILE X 20 314 ? 11.276 24.832 -17.527 0.40 50.04 ? 325 ILE d C 1 ? ? +40864 ATOM C C B ILE X 20 314 ? 11.311 24.832 -17.467 0.60 49.79 ? 325 ILE d C 1 ? ? +40865 ATOM O O A ILE X 20 314 ? 11.801 25.886 -17.193 0.40 50.52 ? 325 ILE d O 1 ? ? +40866 ATOM O O B ILE X 20 314 ? 11.839 25.880 -17.115 0.60 50.29 ? 325 ILE d O 1 ? ? +40867 ATOM C CB A ILE X 20 314 ? 10.396 23.123 -15.884 0.40 49.44 ? 325 ILE d CB 1 ? ? +40868 ATOM C CB B ILE X 20 314 ? 10.419 23.110 -15.837 0.60 49.15 ? 325 ILE d CB 1 ? ? +40869 ATOM C CG1 A ILE X 20 314 ? 9.263 22.803 -14.907 0.40 49.32 ? 325 ILE d CG1 1 ? ? +40870 ATOM C CG1 B ILE X 20 314 ? 9.303 22.837 -14.827 0.60 49.03 ? 325 ILE d CG1 1 ? ? +40871 ATOM C CG2 A ILE X 20 314 ? 11.709 23.371 -15.140 0.40 49.66 ? 325 ILE d CG2 1 ? ? +40872 ATOM C CG2 B ILE X 20 314 ? 11.768 23.336 -15.134 0.60 49.35 ? 325 ILE d CG2 1 ? ? +40873 ATOM C CD1 A ILE X 20 314 ? 9.431 21.513 -14.204 0.40 48.92 ? 325 ILE d CD1 1 ? ? +40874 ATOM C CD1 B ILE X 20 314 ? 9.441 21.559 -14.097 0.60 48.63 ? 325 ILE d CD1 1 ? ? +40875 ATOM N N A ARG X 20 315 ? 11.728 24.087 -18.542 0.40 49.72 ? 326 ARG d N 1 ? ? +40876 ATOM N N B ARG X 20 315 ? 11.754 24.102 -18.496 0.60 49.51 ? 326 ARG d N 1 ? ? +40877 ATOM C CA A ARG X 20 315 ? 12.951 24.423 -19.254 0.40 49.85 ? 326 ARG d CA 1 ? ? +40878 ATOM C CA B ARG X 20 315 ? 12.962 24.446 -19.228 0.60 49.67 ? 326 ARG d CA 1 ? ? +40879 ATOM C C A ARG X 20 315 ? 12.883 25.796 -19.918 0.40 50.37 ? 326 ARG d C 1 ? ? +40880 ATOM C C B ARG X 20 315 ? 12.881 25.809 -19.914 0.60 50.28 ? 326 ARG d C 1 ? ? +40881 ATOM O O A ARG X 20 315 ? 13.801 26.603 -19.765 0.40 50.78 ? 326 ARG d O 1 ? ? +40882 ATOM O O B ARG X 20 315 ? 13.804 26.613 -19.801 0.60 50.69 ? 326 ARG d O 1 ? ? +40883 ATOM C CB A ARG X 20 315 ? 13.293 23.355 -20.309 0.40 49.42 ? 326 ARG d CB 1 ? ? +40884 ATOM C CB B ARG X 20 315 ? 13.282 23.375 -20.280 0.60 49.18 ? 326 ARG d CB 1 ? ? +40885 ATOM C CG A ARG X 20 315 ? 13.784 22.050 -19.706 0.40 48.99 ? 326 ARG d CG 1 ? ? +40886 ATOM C CG B ARG X 20 315 ? 13.801 22.072 -19.698 0.60 48.70 ? 326 ARG d CG 1 ? ? +40887 ATOM C CD A ARG X 20 315 ? 14.445 21.145 -20.730 0.40 48.70 ? 326 ARG d CD 1 ? ? +40888 ATOM C CD B ARG X 20 315 ? 14.555 21.255 -20.733 0.60 48.43 ? 326 ARG d CD 1 ? ? +40889 ATOM N NE A ARG X 20 315 ? 13.546 20.821 -21.833 0.40 48.52 ? 326 ARG d NE 1 ? ? +40890 ATOM N NE B ARG X 20 315 ? 13.705 20.813 -21.835 0.60 48.16 ? 326 ARG d NE 1 ? ? +40891 ATOM C CZ A ARG X 20 315 ? 12.925 19.659 -21.983 0.40 48.01 ? 326 ARG d CZ 1 ? ? +40892 ATOM C CZ B ARG X 20 315 ? 13.020 19.674 -21.867 0.60 47.65 ? 326 ARG d CZ 1 ? ? +40893 ATOM N NH1 A ARG X 20 315 ? 12.786 18.814 -20.975 0.40 47.72 ? 326 ARG d NH1 1 ? ? +40894 ATOM N NH1 B ARG X 20 315 ? 12.925 18.886 -20.807 0.60 47.37 ? 326 ARG d NH1 1 ? ? +40895 ATOM N NH2 A ARG X 20 315 ? 12.418 19.345 -23.170 0.40 47.86 ? 326 ARG d NH2 1 ? ? +40896 ATOM N NH2 B ARG X 20 315 ? 12.440 19.303 -23.004 0.60 47.47 ? 326 ARG d NH2 1 ? ? +40897 ATOM N N . ALA X 20 316 ? 11.787 26.055 -20.641 1.00 50.35 ? 327 ALA d N 1 ? ? +40898 ATOM C CA . ALA X 20 316 ? 11.660 27.273 -21.426 1.00 50.86 ? 327 ALA d CA 1 ? ? +40899 ATOM C CB . ALA X 20 316 ? 10.479 27.190 -22.386 1.00 50.85 ? 327 ALA d CB 1 ? ? +40900 ATOM C C . ALA X 20 316 ? 11.505 28.507 -20.551 1.00 51.33 ? 327 ALA d C 1 ? ? +40901 ATOM O O . ALA X 20 316 ? 11.993 29.576 -20.898 1.00 51.86 ? 327 ALA d O 1 ? ? +40902 ATOM N N A TRP X 20 317 ? 10.792 28.349 -19.427 0.40 51.26 ? 328 TRP d N 1 ? ? +40903 ATOM N N B TRP X 20 317 ? 10.828 28.345 -19.414 0.60 51.25 ? 328 TRP d N 1 ? ? +40904 ATOM C CA A TRP X 20 317 ? 10.451 29.464 -18.557 0.40 51.75 ? 328 TRP d CA 1 ? ? +40905 ATOM C CA B TRP X 20 317 ? 10.487 29.482 -18.581 0.60 51.75 ? 328 TRP d CA 1 ? ? +40906 ATOM C C A TRP X 20 317 ? 11.528 29.787 -17.522 0.40 51.98 ? 328 TRP d C 1 ? ? +40907 ATOM C C B TRP X 20 317 ? 11.604 29.809 -17.596 0.60 51.98 ? 328 TRP d C 1 ? ? +40908 ATOM O O A TRP X 20 317 ? 11.648 30.932 -17.099 0.40 52.53 ? 328 TRP d O 1 ? ? +40909 ATOM O O B TRP X 20 317 ? 11.831 30.976 -17.296 0.60 52.57 ? 328 TRP d O 1 ? ? +40910 ATOM C CB A TRP X 20 317 ? 9.089 29.218 -17.872 0.40 51.60 ? 328 TRP d CB 1 ? ? +40911 ATOM C CB B TRP X 20 317 ? 9.135 29.262 -17.876 0.60 51.60 ? 328 TRP d CB 1 ? ? +40912 ATOM C CG A TRP X 20 317 ? 7.928 29.431 -18.794 0.40 51.65 ? 328 TRP d CG 1 ? ? +40913 ATOM C CG B TRP X 20 317 ? 7.980 29.444 -18.802 0.60 51.64 ? 328 TRP d CG 1 ? ? +40914 ATOM C CD1 A TRP X 20 317 ? 7.531 28.623 -19.818 0.40 51.30 ? 328 TRP d CD1 1 ? ? +40915 ATOM C CD1 B TRP X 20 317 ? 7.613 28.625 -19.826 0.60 51.29 ? 328 TRP d CD1 1 ? ? +40916 ATOM C CD2 A TRP X 20 317 ? 7.043 30.550 -18.801 0.40 52.13 ? 328 TRP d CD2 1 ? ? +40917 ATOM C CD2 B TRP X 20 317 ? 7.066 30.539 -18.818 0.60 52.12 ? 328 TRP d CD2 1 ? ? +40918 ATOM N NE1 A TRP X 20 317 ? 6.440 29.164 -20.450 0.40 51.53 ? 328 TRP d NE1 1 ? ? +40919 ATOM N NE1 B TRP X 20 317 ? 6.509 29.130 -20.463 0.60 51.50 ? 328 TRP d NE1 1 ? ? +40920 ATOM C CE2 A TRP X 20 317 ? 6.116 30.347 -19.843 0.40 52.04 ? 328 TRP d CE2 1 ? ? +40921 ATOM C CE2 B TRP X 20 317 ? 6.155 30.310 -19.869 0.60 52.01 ? 328 TRP d CE2 1 ? ? +40922 ATOM C CE3 A TRP X 20 317 ? 6.929 31.701 -18.015 0.40 52.65 ? 328 TRP d CE3 1 ? ? +40923 ATOM C CE3 B TRP X 20 317 ? 6.917 31.689 -18.035 0.60 52.65 ? 328 TRP d CE3 1 ? ? +40924 ATOM C CZ2 A TRP X 20 317 ? 5.100 31.255 -20.125 0.40 52.47 ? 328 TRP d CZ2 1 ? ? +40925 ATOM C CZ2 B TRP X 20 317 ? 5.115 31.193 -20.163 0.60 52.42 ? 328 TRP d CZ2 1 ? ? +40926 ATOM C CZ3 A TRP X 20 317 ? 5.920 32.598 -18.293 0.40 53.05 ? 328 TRP d CZ3 1 ? ? +40927 ATOM C CZ3 B TRP X 20 317 ? 5.886 32.561 -18.323 0.60 53.04 ? 328 TRP d CZ3 1 ? ? +40928 ATOM C CH2 A TRP X 20 317 ? 5.017 32.370 -19.335 0.40 52.97 ? 328 TRP d CH2 1 ? ? +40929 ATOM C CH2 B TRP X 20 317 ? 4.994 32.308 -19.373 0.60 52.93 ? 328 TRP d CH2 1 ? ? +40930 ATOM N N . MET X 20 318 ? 12.313 28.787 -17.113 1.00 51.66 ? 329 MET d N 1 ? ? +40931 ATOM C CA . MET X 20 318 ? 13.394 29.013 -16.163 1.00 51.98 ? 329 MET d CA 1 ? ? +40932 ATOM C CB . MET X 20 318 ? 13.420 27.869 -15.124 1.00 51.66 ? 329 MET d CB 1 ? ? +40933 ATOM C CG . MET X 20 318 ? 14.422 26.807 -15.374 1.00 51.37 ? 329 MET d CG 1 ? ? +40934 ATOM S SD . MET X 20 318 ? 14.498 25.577 -14.031 1.00 51.19 ? 329 MET d SD 1 ? ? +40935 ATOM C CE . MET X 20 318 ? 15.152 26.545 -12.747 1.00 51.76 ? 329 MET d CE 1 ? ? +40936 ATOM C C . MET X 20 318 ? 14.779 29.276 -16.763 1.00 52.13 ? 329 MET d C 1 ? ? +40937 ATOM O O . MET X 20 318 ? 15.599 29.905 -16.109 1.00 52.56 ? 329 MET d O 1 ? ? +40938 ATOM N N . ALA X 20 319 ? 15.028 28.878 -18.013 1.00 51.93 ? 330 ALA d N 1 ? ? +40939 ATOM C CA . ALA X 20 319 ? 16.396 28.804 -18.509 1.00 52.07 ? 330 ALA d CA 1 ? ? +40940 ATOM C CB . ALA X 20 319 ? 16.446 28.037 -19.828 1.00 51.69 ? 330 ALA d CB 1 ? ? +40941 ATOM C C . ALA X 20 319 ? 17.090 30.160 -18.661 1.00 52.76 ? 330 ALA d C 1 ? ? +40942 ATOM O O . ALA X 20 319 ? 18.269 30.285 -18.317 1.00 52.97 ? 330 ALA d O 1 ? ? +40943 ATOM N N . PRO X 20 320 ? 16.416 31.216 -19.183 1.00 53.11 ? 331 PRO d N 1 ? ? +40944 ATOM C CA . PRO X 20 320 ? 17.061 32.523 -19.342 1.00 53.72 ? 331 PRO d CA 1 ? ? +40945 ATOM C CB . PRO X 20 320 ? 15.967 33.385 -19.981 1.00 53.92 ? 331 PRO d CB 1 ? ? +40946 ATOM C CG . PRO X 20 320 ? 15.053 32.390 -20.638 1.00 53.38 ? 331 PRO d CG 1 ? ? +40947 ATOM C CD . PRO X 20 320 ? 15.042 31.204 -19.713 1.00 52.88 ? 331 PRO d CD 1 ? ? +40948 ATOM C C . PRO X 20 320 ? 17.592 33.118 -18.038 1.00 54.08 ? 331 PRO d C 1 ? ? +40949 ATOM O O . PRO X 20 320 ? 18.729 33.572 -17.994 1.00 54.46 ? 331 PRO d O 1 ? ? +40950 ATOM N N A GLN X 20 321 ? 16.771 33.116 -16.979 0.50 54.02 ? 332 GLN d N 1 ? ? +40951 ATOM N N B GLN X 20 321 ? 16.755 33.102 -16.995 0.50 53.91 ? 332 GLN d N 1 ? ? +40952 ATOM C CA A GLN X 20 321 ? 17.194 33.669 -15.703 0.50 54.38 ? 332 GLN d CA 1 ? ? +40953 ATOM C CA B GLN X 20 321 ? 17.119 33.633 -15.692 0.50 54.17 ? 332 GLN d CA 1 ? ? +40954 ATOM C C A GLN X 20 321 ? 18.106 32.726 -14.917 0.50 54.04 ? 332 GLN d C 1 ? ? +40955 ATOM C C B GLN X 20 321 ? 18.089 32.732 -14.928 0.50 53.95 ? 332 GLN d C 1 ? ? +40956 ATOM O O A GLN X 20 321 ? 18.893 33.185 -14.101 0.50 54.39 ? 332 GLN d O 1 ? ? +40957 ATOM O O B GLN X 20 321 ? 18.891 33.222 -14.142 0.50 54.31 ? 332 GLN d O 1 ? ? +40958 ATOM C CB A GLN X 20 321 ? 15.974 34.074 -14.851 0.50 54.51 ? 332 GLN d CB 1 ? ? +40959 ATOM C CB B GLN X 20 321 ? 15.848 33.855 -14.852 0.50 54.09 ? 332 GLN d CB 1 ? ? +40960 ATOM C CG A GLN X 20 321 ? 15.226 35.272 -15.442 0.50 55.04 ? 332 GLN d CG 1 ? ? +40961 ATOM C CG B GLN X 20 321 ? 14.857 34.816 -15.497 0.50 54.34 ? 332 GLN d CG 1 ? ? +40962 ATOM C CD A GLN X 20 321 ? 14.267 35.930 -14.461 0.50 55.40 ? 332 GLN d CD 1 ? ? +40963 ATOM C CD B GLN X 20 321 ? 14.006 34.178 -16.573 0.50 53.84 ? 332 GLN d CD 1 ? ? +40964 ATOM O OE1 A GLN X 20 321 ? 14.306 35.699 -13.247 0.50 55.48 ? 332 GLN d OE1 1 ? ? +40965 ATOM O OE1 B GLN X 20 321 ? 14.037 32.968 -16.803 0.50 53.23 ? 332 GLN d OE1 1 ? ? +40966 ATOM N NE2 A GLN X 20 321 ? 13.385 36.787 -14.960 0.50 55.71 ? 332 GLN d NE2 1 ? ? +40967 ATOM N NE2 B GLN X 20 321 ? 13.214 34.993 -17.250 0.50 54.10 ? 332 GLN d NE2 1 ? ? +40968 ATOM N N . ASP X 20 322 ? 17.999 31.416 -15.159 1.00 53.37 ? 333 ASP d N 1 ? ? +40969 ATOM C CA . ASP X 20 322 ? 18.759 30.428 -14.405 1.00 53.13 ? 333 ASP d CA 1 ? ? +40970 ATOM C CB . ASP X 20 322 ? 17.968 29.135 -14.355 1.00 52.41 ? 333 ASP d CB 1 ? ? +40971 ATOM C CG . ASP X 20 322 ? 18.553 28.061 -13.475 1.00 52.09 ? 333 ASP d CG 1 ? ? +40972 ATOM O OD1 . ASP X 20 322 ? 18.741 28.323 -12.276 1.00 52.28 ? 333 ASP d OD1 1 ? ? +40973 ATOM O OD2 . ASP X 20 322 ? 18.815 26.952 -13.990 1.00 51.68 ? 333 ASP d OD2 1 ? ? +40974 ATOM C C . ASP X 20 322 ? 20.155 30.148 -14.977 1.00 53.39 ? 333 ASP d C 1 ? ? +40975 ATOM O O . ASP X 20 322 ? 21.051 29.686 -14.263 1.00 53.39 ? 333 ASP d O 1 ? ? +40976 ATOM N N . GLN X 20 323 ? 20.307 30.410 -16.282 1.00 53.54 ? 334 GLN d N 1 ? ? +40977 ATOM C CA . GLN X 20 323 ? 21.556 30.258 -17.007 1.00 53.67 ? 334 GLN d CA 1 ? ? +40978 ATOM C CB . GLN X 20 323 ? 21.418 29.114 -18.031 1.00 53.13 ? 334 GLN d CB 1 ? ? +40979 ATOM C CG . GLN X 20 323 ? 21.008 27.783 -17.425 1.00 52.54 ? 334 GLN d CG 1 ? ? +40980 ATOM C CD . GLN X 20 323 ? 20.900 26.696 -18.455 1.00 52.04 ? 334 GLN d CD 1 ? ? +40981 ATOM O OE1 . GLN X 20 323 ? 21.768 26.525 -19.287 1.00 52.18 ? 334 GLN d OE1 1 ? ? +40982 ATOM N NE2 . GLN X 20 323 ? 19.818 25.927 -18.439 1.00 51.62 ? 334 GLN d NE2 1 ? ? +40983 ATOM C C . GLN X 20 323 ? 21.883 31.569 -17.716 1.00 54.34 ? 334 GLN d C 1 ? ? +40984 ATOM O O . GLN X 20 323 ? 21.857 31.646 -18.939 1.00 54.34 ? 334 GLN d O 1 ? ? +40985 ATOM N N . PRO X 20 324 ? 22.168 32.659 -16.977 1.00 55.08 ? 335 PRO d N 1 ? ? +40986 ATOM C CA . PRO X 20 324 ? 22.295 33.981 -17.592 1.00 55.83 ? 335 PRO d CA 1 ? ? +40987 ATOM C CB . PRO X 20 324 ? 22.507 34.899 -16.391 1.00 56.37 ? 335 PRO d CB 1 ? ? +40988 ATOM C CG . PRO X 20 324 ? 22.998 33.994 -15.287 1.00 56.08 ? 335 PRO d CG 1 ? ? +40989 ATOM C CD . PRO X 20 324 ? 22.375 32.671 -15.521 1.00 55.25 ? 335 PRO d CD 1 ? ? +40990 ATOM C C . PRO X 20 324 ? 23.425 34.104 -18.606 1.00 56.31 ? 335 PRO d C 1 ? ? +40991 ATOM O O . PRO X 20 324 ? 23.330 34.906 -19.533 1.00 56.70 ? 335 PRO d O 1 ? ? +40992 ATOM N N . HIS X 20 325 ? 24.490 33.310 -18.410 1.00 56.38 ? 336 HIS d N 1 ? ? +40993 ATOM C CA . HIS X 20 325 ? 25.652 33.306 -19.292 1.00 56.73 ? 336 HIS d CA 1 ? ? +40994 ATOM C CB . HIS X 20 325 ? 26.745 32.400 -18.729 1.00 56.46 ? 336 HIS d CB 1 ? ? +40995 ATOM C CG . HIS X 20 325 ? 26.276 30.998 -18.482 1.00 55.57 ? 336 HIS d CG 1 ? ? +40996 ATOM N ND1 . HIS X 20 325 ? 25.601 30.665 -17.329 1.00 55.21 ? 336 HIS d ND1 1 ? ? +40997 ATOM C CE1 . HIS X 20 325 ? 25.339 29.366 -17.423 1.00 54.55 ? 336 HIS d CE1 1 ? ? +40998 ATOM N NE2 . HIS X 20 325 ? 25.798 28.864 -18.574 1.00 54.40 ? 336 HIS d NE2 1 ? ? +40999 ATOM C CD2 . HIS X 20 325 ? 26.402 29.893 -19.251 1.00 55.03 ? 336 HIS d CD2 1 ? ? +41000 ATOM C C . HIS X 20 325 ? 25.357 32.821 -20.709 1.00 56.58 ? 336 HIS d C 1 ? ? +41001 ATOM O O . HIS X 20 325 ? 26.160 33.033 -21.610 1.00 56.89 ? 336 HIS d O 1 ? ? +41002 ATOM N N . GLU X 20 326 ? 24.230 32.120 -20.880 1.00 56.23 ? 337 GLU d N 1 ? ? +41003 ATOM C CA . GLU X 20 326 ? 23.802 31.645 -22.188 1.00 56.06 ? 337 GLU d CA 1 ? ? +41004 ATOM C CB . GLU X 20 326 ? 22.831 30.462 -22.036 1.00 55.45 ? 337 GLU d CB 1 ? ? +41005 ATOM C CG . GLU X 20 326 ? 23.492 29.152 -21.623 1.00 55.14 ? 337 GLU d CG 1 ? ? +41006 ATOM C CD . GLU X 20 326 ? 24.209 28.397 -22.726 1.00 55.16 ? 337 GLU d CD 1 ? ? +41007 ATOM O OE1 . GLU X 20 326 ? 24.279 28.898 -23.871 1.00 55.57 ? 337 GLU d OE1 1 ? ? +41008 ATOM O OE2 . GLU X 20 326 ? 24.666 27.268 -22.453 1.00 55.06 ? 337 GLU d OE2 1 ? ? +41009 ATOM C C . GLU X 20 326 ? 23.137 32.737 -23.019 1.00 56.49 ? 337 GLU d C 1 ? ? +41010 ATOM O O . GLU X 20 326 ? 22.948 32.569 -24.217 1.00 56.38 ? 337 GLU d O 1 ? ? +41011 ATOM N N . ASN X 20 327 ? 22.764 33.845 -22.377 1.00 57.16 ? 338 ASN d N 1 ? ? +41012 ATOM C CA . ASN X 20 327 ? 22.103 34.942 -23.065 1.00 57.84 ? 338 ASN d CA 1 ? ? +41013 ATOM C CB . ASN X 20 327 ? 23.067 35.671 -23.977 1.00 59.02 ? 338 ASN d CB 1 ? ? +41014 ATOM C CG . ASN X 20 327 ? 24.040 36.525 -23.220 1.00 60.41 ? 338 ASN d CG 1 ? ? +41015 ATOM O OD1 . ASN X 20 327 ? 23.640 37.343 -22.372 1.00 61.49 ? 338 ASN d OD1 1 ? ? +41016 ATOM N ND2 . ASN X 20 327 ? 25.347 36.372 -23.494 1.00 60.98 ? 338 ASN d ND2 1 ? ? +41017 ATOM C C . ASN X 20 327 ? 20.897 34.488 -23.881 1.00 56.98 ? 338 ASN d C 1 ? ? +41018 ATOM O O . ASN X 20 327 ? 20.717 34.910 -25.020 1.00 57.20 ? 338 ASN d O 1 ? ? +41019 ATOM N N . PHE X 20 328 ? 20.070 33.626 -23.289 1.00 56.00 ? 339 PHE d N 1 ? ? +41020 ATOM C CA . PHE X 20 328 ? 18.868 33.180 -23.966 1.00 55.35 ? 339 PHE d CA 1 ? ? +41021 ATOM C CB . PHE X 20 328 ? 18.182 32.052 -23.207 1.00 54.47 ? 339 PHE d CB 1 ? ? +41022 ATOM C CG . PHE X 20 328 ? 18.964 30.755 -23.177 1.00 53.78 ? 339 PHE d CG 1 ? ? +41023 ATOM C CD1 . PHE X 20 328 ? 19.442 30.187 -24.345 1.00 53.47 ? 339 PHE d CD1 1 ? ? +41024 ATOM C CD2 . PHE X 20 328 ? 19.186 30.084 -21.982 1.00 53.37 ? 339 PHE d CD2 1 ? ? +41025 ATOM C CE1 . PHE X 20 328 ? 20.126 28.990 -24.315 1.00 52.98 ? 339 PHE d CE1 1 ? ? +41026 ATOM C CE2 . PHE X 20 328 ? 19.877 28.885 -21.963 1.00 52.87 ? 339 PHE d CE2 1 ? ? +41027 ATOM C CZ . PHE X 20 328 ? 20.335 28.345 -23.127 1.00 52.70 ? 339 PHE d CZ 1 ? ? +41028 ATOM C C . PHE X 20 328 ? 17.951 34.384 -24.134 1.00 55.82 ? 339 PHE d C 1 ? ? +41029 ATOM O O . PHE X 20 328 ? 17.762 35.151 -23.193 1.00 56.17 ? 339 PHE d O 1 ? ? +41030 ATOM N N . VAL X 20 329 ? 17.465 34.577 -25.363 1.00 55.97 ? 340 VAL d N 1 ? ? +41031 ATOM C CA . VAL X 20 329 ? 16.362 35.488 -25.622 1.00 56.36 ? 340 VAL d CA 1 ? ? +41032 ATOM C CB . VAL X 20 329 ? 16.764 36.681 -26.501 1.00 57.08 ? 340 VAL d CB 1 ? ? +41033 ATOM C CG1 . VAL X 20 329 ? 15.585 37.628 -26.661 1.00 57.46 ? 340 VAL d CG1 1 ? ? +41034 ATOM C CG2 . VAL X 20 329 ? 17.967 37.409 -25.922 1.00 57.60 ? 340 VAL d CG2 1 ? ? +41035 ATOM C C . VAL X 20 329 ? 15.230 34.682 -26.253 1.00 55.83 ? 340 VAL d C 1 ? ? +41036 ATOM O O . VAL X 20 329 ? 15.314 34.296 -27.418 1.00 55.65 ? 340 VAL d O 1 ? ? +41037 ATOM N N . PHE X 20 330 ? 14.197 34.402 -25.453 1.00 55.57 ? 341 PHE d N 1 ? ? +41038 ATOM C CA . PHE X 20 330 ? 13.022 33.697 -25.932 1.00 55.17 ? 341 PHE d CA 1 ? ? +41039 ATOM C CB . PHE X 20 330 ? 12.634 32.574 -24.960 1.00 54.61 ? 341 PHE d CB 1 ? ? +41040 ATOM C CG . PHE X 20 330 ? 13.644 31.462 -24.767 1.00 54.24 ? 341 PHE d CG 1 ? ? +41041 ATOM C CD1 . PHE X 20 330 ? 14.706 31.294 -25.652 1.00 54.34 ? 341 PHE d CD1 1 ? ? +41042 ATOM C CD2 . PHE X 20 330 ? 13.538 30.587 -23.700 1.00 53.83 ? 341 PHE d CD2 1 ? ? +41043 ATOM C CE1 . PHE X 20 330 ? 15.639 30.273 -25.458 1.00 53.91 ? 341 PHE d CE1 1 ? ? +41044 ATOM C CE2 . PHE X 20 330 ? 14.464 29.560 -23.522 1.00 53.45 ? 341 PHE d CE2 1 ? ? +41045 ATOM C CZ . PHE X 20 330 ? 15.514 29.419 -24.394 1.00 53.49 ? 341 PHE d CZ 1 ? ? +41046 ATOM C C . PHE X 20 330 ? 11.883 34.696 -26.076 1.00 55.54 ? 341 PHE d C 1 ? ? +41047 ATOM O O . PHE X 20 330 ? 11.305 35.105 -25.078 1.00 55.60 ? 341 PHE d O 1 ? ? +41048 ATOM N N . PRO X 20 331 ? 11.532 35.146 -27.302 1.00 55.98 ? 342 PRO d N 1 ? ? +41049 ATOM C CA . PRO X 20 331 ? 10.381 36.030 -27.493 1.00 56.42 ? 342 PRO d CA 1 ? ? +41050 ATOM C CB . PRO X 20 331 ? 10.284 36.168 -29.013 1.00 56.64 ? 342 PRO d CB 1 ? ? +41051 ATOM C CG . PRO X 20 331 ? 11.660 35.886 -29.494 1.00 56.63 ? 342 PRO d CG 1 ? ? +41052 ATOM C CD . PRO X 20 331 ? 12.203 34.836 -28.574 1.00 56.00 ? 342 PRO d CD 1 ? ? +41053 ATOM C C . PRO X 20 331 ? 9.126 35.404 -26.910 1.00 56.01 ? 342 PRO d C 1 ? ? +41054 ATOM O O . PRO X 20 331 ? 9.046 34.187 -26.797 1.00 55.37 ? 342 PRO d O 1 ? ? +41055 ATOM N N . GLU X 20 332 ? 8.160 36.249 -26.548 1.00 56.54 ? 343 GLU d N 1 ? ? +41056 ATOM C CA . GLU X 20 332 ? 6.891 35.776 -26.020 1.00 56.36 ? 343 GLU d CA 1 ? ? +41057 ATOM C CB . GLU X 20 332 ? 5.879 36.897 -25.968 1.00 57.36 ? 343 GLU d CB 1 ? ? +41058 ATOM C CG . GLU X 20 332 ? 6.224 37.919 -24.924 1.00 58.26 ? 343 GLU d CG 1 ? ? +41059 ATOM C CD . GLU X 20 332 ? 5.230 39.045 -24.828 1.00 59.39 ? 343 GLU d CD 1 ? ? +41060 ATOM O OE1 . GLU X 20 332 ? 4.006 38.752 -24.826 1.00 59.74 ? 343 GLU d OE1 1 ? ? +41061 ATOM O OE2 . GLU X 20 332 ? 5.675 40.215 -24.717 1.00 60.38 ? 343 GLU d OE2 1 ? ? +41062 ATOM C C . GLU X 20 332 ? 6.323 34.647 -26.868 1.00 55.49 ? 343 GLU d C 1 ? ? +41063 ATOM O O . GLU X 20 332 ? 5.938 33.618 -26.340 1.00 55.15 ? 343 GLU d O 1 ? ? +41064 ATOM N N . GLU X 20 333 ? 6.333 34.837 -28.185 1.00 55.32 ? 344 GLU d N 1 ? ? +41065 ATOM C CA . GLU X 20 333 ? 5.677 33.926 -29.100 1.00 54.77 ? 344 GLU d CA 1 ? ? +41066 ATOM C CB . GLU X 20 333 ? 5.631 34.570 -30.486 1.00 55.03 ? 344 GLU d CB 1 ? ? +41067 ATOM C CG . GLU X 20 333 ? 6.967 34.673 -31.187 1.00 54.98 ? 344 GLU d CG 1 ? ? +41068 ATOM C CD . GLU X 20 333 ? 6.961 35.545 -32.410 1.00 55.41 ? 344 GLU d CD 1 ? ? +41069 ATOM O OE1 . GLU X 20 333 ? 6.784 36.767 -32.251 1.00 55.95 ? 344 GLU d OE1 1 ? ? +41070 ATOM O OE2 . GLU X 20 333 ? 7.123 35.015 -33.527 1.00 55.15 ? 344 GLU d OE2 1 ? ? +41071 ATOM C C . GLU X 20 333 ? 6.263 32.519 -29.205 1.00 54.21 ? 344 GLU d C 1 ? ? +41072 ATOM O O . GLU X 20 333 ? 5.608 31.659 -29.786 1.00 54.22 ? 344 GLU d O 1 ? ? +41073 ATOM N N . VAL X 20 334 ? 7.461 32.270 -28.655 1.00 53.97 ? 345 VAL d N 1 ? ? +41074 ATOM C CA . VAL X 20 334 ? 8.048 30.933 -28.683 1.00 53.31 ? 345 VAL d CA 1 ? ? +41075 ATOM C CB . VAL X 20 334 ? 9.581 30.886 -28.997 1.00 53.42 ? 345 VAL d CB 1 ? ? +41076 ATOM C CG1 . VAL X 20 334 ? 9.946 31.745 -30.202 1.00 53.99 ? 345 VAL d CG1 1 ? ? +41077 ATOM C CG2 . VAL X 20 334 ? 10.422 31.275 -27.786 1.00 53.57 ? 345 VAL d CG2 1 ? ? +41078 ATOM C C . VAL X 20 334 ? 7.834 30.182 -27.372 1.00 52.78 ? 345 VAL d C 1 ? ? +41079 ATOM O O . VAL X 20 334 ? 8.102 28.984 -27.293 1.00 52.35 ? 345 VAL d O 1 ? ? +41080 ATOM N N . LEU X 20 335 ? 7.425 30.893 -26.319 1.00 52.88 ? 346 LEU d N 1 ? ? +41081 ATOM C CA . LEU X 20 335 ? 7.200 30.249 -25.037 1.00 52.33 ? 346 LEU d CA 1 ? ? +41082 ATOM C CB . LEU X 20 335 ? 6.889 31.281 -23.949 1.00 52.76 ? 346 LEU d CB 1 ? ? +41083 ATOM C CG . LEU X 20 335 ? 8.058 32.149 -23.516 1.00 53.14 ? 346 LEU d CG 1 ? ? +41084 ATOM C CD1 . LEU X 20 335 ? 7.634 33.134 -22.462 1.00 53.56 ? 346 LEU d CD1 1 ? ? +41085 ATOM C CD2 . LEU X 20 335 ? 9.254 31.298 -23.011 1.00 52.82 ? 346 LEU d CD2 1 ? ? +41086 ATOM C C . LEU X 20 335 ? 6.051 29.255 -25.156 1.00 51.72 ? 346 LEU d C 1 ? ? +41087 ATOM O O . LEU X 20 335 ? 4.995 29.610 -25.661 1.00 51.98 ? 346 LEU d O 1 ? ? +41088 ATOM N N A PRO X 20 336 ? 6.234 27.984 -24.733 0.40 51.10 ? 347 PRO d N 1 ? ? +41089 ATOM N N B PRO X 20 336 ? 6.210 27.995 -24.687 0.60 51.04 ? 347 PRO d N 1 ? ? +41090 ATOM C CA A PRO X 20 336 ? 5.132 27.026 -24.699 0.40 50.66 ? 347 PRO d CA 1 ? ? +41091 ATOM C CA B PRO X 20 336 ? 5.113 27.033 -24.695 0.60 50.58 ? 347 PRO d CA 1 ? ? +41092 ATOM C C A PRO X 20 336 ? 4.145 27.381 -23.595 0.40 50.72 ? 347 PRO d C 1 ? ? +41093 ATOM C C B PRO X 20 336 ? 4.114 27.370 -23.594 0.60 50.64 ? 347 PRO d C 1 ? ? +41094 ATOM O O A PRO X 20 336 ? 4.540 27.559 -22.446 0.40 50.74 ? 347 PRO d O 1 ? ? +41095 ATOM O O B PRO X 20 336 ? 4.500 27.635 -22.461 0.60 50.68 ? 347 PRO d O 1 ? ? +41096 ATOM C CB A PRO X 20 336 ? 5.832 25.690 -24.450 0.40 50.14 ? 347 PRO d CB 1 ? ? +41097 ATOM C CB B PRO X 20 336 ? 5.820 25.693 -24.495 0.60 50.05 ? 347 PRO d CB 1 ? ? +41098 ATOM C CG A PRO X 20 336 ? 7.103 26.049 -23.750 0.40 50.27 ? 347 PRO d CG 1 ? ? +41099 ATOM C CG B PRO X 20 336 ? 7.048 26.020 -23.729 0.60 50.17 ? 347 PRO d CG 1 ? ? +41100 ATOM C CD A PRO X 20 336 ? 7.510 27.400 -24.280 0.40 50.85 ? 347 PRO d CD 1 ? ? +41101 ATOM C CD B PRO X 20 336 ? 7.449 27.429 -24.122 0.60 50.78 ? 347 PRO d CD 1 ? ? +41102 ATOM N N A ARG X 20 337 ? 2.868 27.499 -23.976 0.40 50.76 ? 348 ARG d N 1 ? ? +41103 ATOM N N B ARG X 20 337 ? 2.830 27.404 -23.968 0.60 50.64 ? 348 ARG d N 1 ? ? +41104 ATOM C CA A ARG X 20 337 ? 1.790 27.769 -23.041 0.40 50.82 ? 348 ARG d CA 1 ? ? +41105 ATOM C CA B ARG X 20 337 ? 1.750 27.760 -23.065 0.60 50.74 ? 348 ARG d CA 1 ? ? +41106 ATOM C C A ARG X 20 337 ? 0.532 27.031 -23.478 0.40 50.57 ? 348 ARG d C 1 ? ? +41107 ATOM C C B ARG X 20 337 ? 0.509 26.989 -23.487 0.60 50.46 ? 348 ARG d C 1 ? ? +41108 ATOM O O A ARG X 20 337 ? 0.234 26.961 -24.666 0.40 50.62 ? 348 ARG d O 1 ? ? +41109 ATOM O O B ARG X 20 337 ? 0.226 26.875 -24.674 0.60 50.50 ? 348 ARG d O 1 ? ? +41110 ATOM C CB A ARG X 20 337 ? 1.455 29.261 -22.980 0.40 51.46 ? 348 ARG d CB 1 ? ? +41111 ATOM C CB B ARG X 20 337 ? 1.426 29.261 -23.115 0.60 51.39 ? 348 ARG d CB 1 ? ? +41112 ATOM C CG A ARG X 20 337 ? 2.655 30.155 -22.796 0.40 51.76 ? 348 ARG d CG 1 ? ? +41113 ATOM C CG B ARG X 20 337 ? 2.599 30.151 -22.804 0.60 51.69 ? 348 ARG d CG 1 ? ? +41114 ATOM C CD A ARG X 20 337 ? 2.295 31.619 -22.905 0.40 52.40 ? 348 ARG d CD 1 ? ? +41115 ATOM C CD B ARG X 20 337 ? 2.270 31.619 -22.915 0.60 52.33 ? 348 ARG d CD 1 ? ? +41116 ATOM N NE A ARG X 20 337 ? 1.521 32.093 -21.764 0.40 52.62 ? 348 ARG d NE 1 ? ? +41117 ATOM N NE B ARG X 20 337 ? 1.473 32.095 -21.792 0.60 52.56 ? 348 ARG d NE 1 ? ? +41118 ATOM C CZ A ARG X 20 337 ? 1.374 33.371 -21.449 0.40 53.19 ? 348 ARG d CZ 1 ? ? +41119 ATOM C CZ B ARG X 20 337 ? 1.380 33.367 -21.430 0.60 53.13 ? 348 ARG d CZ 1 ? ? +41120 ATOM N NH1 A ARG X 20 337 ? 1.910 34.330 -22.185 0.40 53.59 ? 348 ARG d NH1 1 ? ? +41121 ATOM N NH1 B ARG X 20 337 ? 1.939 34.333 -22.140 0.60 53.52 ? 348 ARG d NH1 1 ? ? +41122 ATOM N NH2 A ARG X 20 337 ? 0.681 33.696 -20.362 0.40 53.40 ? 348 ARG d NH2 1 ? ? +41123 ATOM N NH2 B ARG X 20 337 ? 0.713 33.679 -20.324 0.60 53.34 ? 348 ARG d NH2 1 ? ? +41124 ATOM N N A GLY X 20 338 ? -0.212 26.498 -22.506 0.40 50.32 ? 349 GLY d N 1 ? ? +41125 ATOM N N B GLY X 20 338 ? -0.232 26.471 -22.506 0.60 50.19 ? 349 GLY d N 1 ? ? +41126 ATOM C CA A GLY X 20 338 ? -1.542 25.984 -22.771 0.40 50.21 ? 349 GLY d CA 1 ? ? +41127 ATOM C CA B GLY X 20 338 ? -1.556 25.946 -22.773 0.60 50.05 ? 349 GLY d CA 1 ? ? +41128 ATOM C C A GLY X 20 338 ? -2.503 27.145 -22.992 0.40 50.68 ? 349 GLY d C 1 ? ? +41129 ATOM C C B GLY X 20 338 ? -2.487 27.096 -23.127 0.60 50.50 ? 349 GLY d C 1 ? ? +41130 ATOM O O A GLY X 20 338 ? -2.083 28.296 -23.053 0.40 51.06 ? 349 GLY d O 1 ? ? +41131 ATOM O O B GLY X 20 338 ? -2.035 28.205 -23.391 0.60 50.87 ? 349 GLY d O 1 ? ? +41132 ATOM N N A ASN X 20 339 ? -3.793 26.829 -23.098 0.40 50.68 ? 350 ASN d N 1 ? ? +41133 ATOM N N B ASN X 20 339 ? -3.788 26.815 -23.103 0.60 50.50 ? 350 ASN d N 1 ? ? +41134 ATOM C CA A ASN X 20 339 ? -4.795 27.843 -23.356 0.40 51.18 ? 350 ASN d CA 1 ? ? +41135 ATOM C CA B ASN X 20 339 ? -4.788 27.828 -23.375 0.60 50.97 ? 350 ASN d CA 1 ? ? +41136 ATOM C C A ASN X 20 339 ? -4.915 28.745 -22.131 0.40 51.52 ? 350 ASN d C 1 ? ? +41137 ATOM C C B ASN X 20 339 ? -4.941 28.711 -22.137 0.60 51.31 ? 350 ASN d C 1 ? ? +41138 ATOM O O A ASN X 20 339 ? -4.843 28.267 -21.001 0.40 51.25 ? 350 ASN d O 1 ? ? +41139 ATOM O O B ASN X 20 339 ? -4.916 28.209 -21.012 0.60 51.03 ? 350 ASN d O 1 ? ? +41140 ATOM C CB A ASN X 20 339 ? -6.111 27.176 -23.716 0.40 51.15 ? 350 ASN d CB 1 ? ? +41141 ATOM C CB B ASN X 20 339 ? -6.077 27.136 -23.784 0.60 50.92 ? 350 ASN d CB 1 ? ? +41142 ATOM C CG A ASN X 20 339 ? -7.084 28.095 -24.387 0.40 51.70 ? 350 ASN d CG 1 ? ? +41143 ATOM C CG B ASN X 20 339 ? -7.051 28.025 -24.493 0.60 51.44 ? 350 ASN d CG 1 ? ? +41144 ATOM O OD1 A ASN X 20 339 ? -6.804 28.674 -25.442 0.40 51.87 ? 350 ASN d OD1 1 ? ? +41145 ATOM O OD1 B ASN X 20 339 ? -6.792 28.510 -25.600 0.60 51.57 ? 350 ASN d OD1 1 ? ? +41146 ATOM N ND2 A ASN X 20 339 ? -8.255 28.236 -23.785 0.40 51.98 ? 350 ASN d ND2 1 ? ? +41147 ATOM N ND2 B ASN X 20 339 ? -8.202 28.239 -23.871 0.60 51.74 ? 350 ASN d ND2 1 ? ? +41148 ATOM N N A ALA X 20 340 ? -5.033 30.055 -22.388 0.40 52.11 ? 351 ALA d N 1 ? ? +41149 ATOM N N B ALA X 20 340 ? -5.019 30.030 -22.372 0.60 51.92 ? 351 ALA d N 1 ? ? +41150 ATOM C CA A ALA X 20 340 ? -5.375 31.060 -21.390 0.40 52.60 ? 351 ALA d CA 1 ? ? +41151 ATOM C CA B ALA X 20 340 ? -5.391 31.040 -21.383 0.60 52.43 ? 351 ALA d CA 1 ? ? +41152 ATOM C C A ALA X 20 340 ? -4.243 31.426 -20.431 0.40 52.56 ? 351 ALA d C 1 ? ? +41153 ATOM C C B ALA X 20 340 ? -4.278 31.423 -20.408 0.60 52.41 ? 351 ALA d C 1 ? ? +41154 ATOM O O A ALA X 20 340 ? -3.977 32.601 -20.200 0.40 53.02 ? 351 ALA d O 1 ? ? +41155 ATOM O O B ALA X 20 340 ? -4.020 32.600 -20.186 0.60 52.89 ? 351 ALA d O 1 ? ? +41156 ATOM C CB A ALA X 20 340 ? -6.599 30.623 -20.595 0.40 52.62 ? 351 ALA d CB 1 ? ? +41157 ATOM C CB B ALA X 20 340 ? -6.637 30.619 -20.605 0.60 52.46 ? 351 ALA d CB 1 ? ? +41158 ATOM N N A LEU X 20 341 ? -3.602 30.420 -19.842 0.40 52.08 ? 352 LEU d N 1 ? ? +41159 ATOM N N B LEU X 20 341 ? -3.651 30.426 -19.792 0.60 51.95 ? 352 LEU d N 1 ? ? +41160 ATOM C CA A LEU X 20 341 ? -2.569 30.667 -18.852 0.40 52.07 ? 352 LEU d CA 1 ? ? +41161 ATOM C CA B LEU X 20 341 ? -2.592 30.678 -18.832 0.60 51.95 ? 352 LEU d CA 1 ? ? +41162 ATOM C C A LEU X 20 341 ? -1.291 31.212 -19.509 0.40 52.12 ? 352 LEU d C 1 ? ? +41163 ATOM C C B LEU X 20 341 ? -1.304 31.120 -19.544 0.60 51.97 ? 352 LEU d C 1 ? ? +41164 ATOM O O A LEU X 20 341 ? -0.479 31.857 -18.845 0.40 52.29 ? 352 LEU d O 1 ? ? +41165 ATOM O O B LEU X 20 341 ? -0.496 31.848 -18.969 0.60 52.17 ? 352 LEU d O 1 ? ? +41166 ATOM C CB A LEU X 20 341 ? -2.278 29.372 -18.087 0.40 51.54 ? 352 LEU d CB 1 ? ? +41167 ATOM C CB B LEU X 20 341 ? -2.351 29.404 -18.009 0.60 51.45 ? 352 LEU d CB 1 ? ? +41168 ATOM C CG A LEU X 20 341 ? -3.480 28.794 -17.351 0.40 51.51 ? 352 LEU d CG 1 ? ? +41169 ATOM C CG B LEU X 20 341 ? -3.590 28.840 -17.304 0.60 51.43 ? 352 LEU d CG 1 ? ? +41170 ATOM C CD1 A LEU X 20 341 ? -3.066 27.648 -16.443 0.40 51.05 ? 352 LEU d CD1 1 ? ? +41171 ATOM C CD1 B LEU X 20 341 ? -3.222 27.655 -16.430 0.60 50.95 ? 352 LEU d CD1 1 ? ? +41172 ATOM C CD2 A LEU X 20 341 ? -4.196 29.872 -16.566 0.40 52.08 ? 352 LEU d CD2 1 ? ? +41173 ATOM C CD2 B LEU X 20 341 ? -4.288 29.908 -16.491 0.60 51.98 ? 352 LEU d CD2 1 ? ? +41174 ATOM O OXT A LEU X 20 341 ? -1.079 31.017 -20.701 0.40 52.02 ? 352 LEU d OXT 1 ? ? +41175 ATOM O OXT B LEU X 20 341 ? -1.081 30.757 -20.694 0.60 51.80 ? 352 LEU d OXT 1 ? ? +41176 ATOM N N . GLY Y 21 1 ? 36.831 15.389 34.073 1.00 108.98 ? 6 GLY e N 1 ? ? +41177 ATOM C CA . GLY Y 21 1 ? 37.938 16.263 34.447 1.00 109.77 ? 6 GLY e CA 1 ? ? +41178 ATOM C C . GLY Y 21 1 ? 37.566 17.745 34.435 1.00 108.98 ? 6 GLY e C 1 ? ? +41179 ATOM O O . GLY Y 21 1 ? 37.982 18.500 35.312 1.00 108.86 ? 6 GLY e O 1 ? ? +41180 ATOM N N . GLU Y 21 2 ? 36.796 18.153 33.417 1.00 107.94 ? 7 GLU e N 1 ? ? +41181 ATOM C CA . GLU Y 21 2 ? 36.352 19.533 33.297 1.00 108.49 ? 7 GLU e CA 1 ? ? +41182 ATOM C CB . GLU Y 21 2 ? 35.891 19.840 31.851 1.00 108.27 ? 7 GLU e CB 1 ? ? +41183 ATOM C CG . GLU Y 21 2 ? 37.010 19.920 30.816 1.00 108.46 ? 7 GLU e CG 1 ? ? +41184 ATOM C CD . GLU Y 21 2 ? 37.318 18.656 30.038 1.00 107.77 ? 7 GLU e CD 1 ? ? +41185 ATOM O OE1 . GLU Y 21 2 ? 36.700 17.607 30.325 1.00 106.41 ? 7 GLU e OE1 1 ? ? +41186 ATOM O OE2 . GLU Y 21 2 ? 38.165 18.724 29.116 1.00 107.54 ? 7 GLU e OE2 1 ? ? +41187 ATOM C C . GLU Y 21 2 ? 35.229 19.873 34.283 1.00 107.11 ? 7 GLU e C 1 ? ? +41188 ATOM O O . GLU Y 21 2 ? 34.434 19.018 34.668 1.00 106.64 ? 7 GLU e O 1 ? ? +41189 ATOM N N . ARG Y 21 3 ? 35.165 21.151 34.665 1.00 105.48 ? 8 ARG e N 1 ? ? +41190 ATOM C CA . ARG Y 21 3 ? 34.177 21.627 35.620 1.00 105.89 ? 8 ARG e CA 1 ? ? +41191 ATOM C CB . ARG Y 21 3 ? 34.674 22.944 36.240 1.00 107.11 ? 8 ARG e CB 1 ? ? +41192 ATOM C CG . ARG Y 21 3 ? 33.903 23.367 37.470 1.00 108.97 ? 8 ARG e CG 1 ? ? +41193 ATOM C CD . ARG Y 21 3 ? 34.673 24.343 38.342 1.00 110.37 ? 8 ARG e CD 1 ? ? +41194 ATOM N NE . ARG Y 21 3 ? 34.650 25.696 37.799 1.00 111.93 ? 8 ARG e NE 1 ? ? +41195 ATOM C CZ . ARG Y 21 3 ? 33.828 26.656 38.211 1.00 114.12 ? 8 ARG e CZ 1 ? ? +41196 ATOM N NH1 . ARG Y 21 3 ? 32.751 26.383 38.932 1.00 115.08 ? 8 ARG e NH1 1 ? ? +41197 ATOM N NH2 . ARG Y 21 3 ? 34.074 27.917 37.864 1.00 113.87 ? 8 ARG e NH2 1 ? ? +41198 ATOM C C . ARG Y 21 3 ? 32.823 21.803 34.929 1.00 104.79 ? 8 ARG e C 1 ? ? +41199 ATOM O O . ARG Y 21 3 ? 32.769 22.313 33.817 1.00 104.81 ? 8 ARG e O 1 ? ? +41200 ATOM N N . PRO Y 21 4 ? 31.690 21.379 35.535 1.00 103.94 ? 9 PRO e N 1 ? ? +41201 ATOM C CA . PRO Y 21 4 ? 30.384 21.470 34.878 1.00 103.77 ? 9 PRO e CA 1 ? ? +41202 ATOM C CB . PRO Y 21 4 ? 29.425 20.926 35.950 1.00 103.16 ? 9 PRO e CB 1 ? ? +41203 ATOM C CG . PRO Y 21 4 ? 30.261 20.101 36.841 1.00 103.30 ? 9 PRO e CG 1 ? ? +41204 ATOM C CD . PRO Y 21 4 ? 31.602 20.750 36.861 1.00 104.26 ? 9 PRO e CD 1 ? ? +41205 ATOM C C . PRO Y 21 4 ? 29.930 22.859 34.425 1.00 104.47 ? 9 PRO e C 1 ? ? +41206 ATOM O O . PRO Y 21 4 ? 30.116 23.845 35.134 1.00 107.13 ? 9 PRO e O 1 ? ? +41207 ATOM N N . PHE Y 21 5 ? 29.308 22.911 33.238 1.00 104.17 ? 10 PHE e N 1 ? ? +41208 ATOM C CA . PHE Y 21 5 ? 28.738 24.135 32.694 1.00 104.63 ? 10 PHE e CA 1 ? ? +41209 ATOM C CB . PHE Y 21 5 ? 27.974 23.900 31.365 1.00 105.07 ? 10 PHE e CB 1 ? ? +41210 ATOM C CG . PHE Y 21 5 ? 28.812 23.624 30.142 1.00 106.40 ? 10 PHE e CG 1 ? ? +41211 ATOM C CD1 . PHE Y 21 5 ? 29.478 24.648 29.497 1.00 107.28 ? 10 PHE e CD1 1 ? ? +41212 ATOM C CD2 . PHE Y 21 5 ? 28.919 22.339 29.626 1.00 107.33 ? 10 PHE e CD2 1 ? ? +41213 ATOM C CE1 . PHE Y 21 5 ? 30.232 24.397 28.350 1.00 107.33 ? 10 PHE e CE1 1 ? ? +41214 ATOM C CE2 . PHE Y 21 5 ? 29.687 22.088 28.494 1.00 107.36 ? 10 PHE e CE2 1 ? ? +41215 ATOM C CZ . PHE Y 21 5 ? 30.333 23.117 27.858 1.00 106.91 ? 10 PHE e CZ 1 ? ? +41216 ATOM C C . PHE Y 21 5 ? 27.759 24.808 33.651 1.00 103.19 ? 10 PHE e C 1 ? ? +41217 ATOM O O . PHE Y 21 5 ? 27.762 26.032 33.755 1.00 104.02 ? 10 PHE e O 1 ? ? +41218 ATOM N N . SER Y 21 6 ? 26.910 24.017 34.320 1.00 101.73 ? 11 SER e N 1 ? ? +41219 ATOM C CA . SER Y 21 6 ? 25.879 24.568 35.189 1.00 101.50 ? 11 SER e CA 1 ? ? +41220 ATOM C CB . SER Y 21 6 ? 24.924 23.476 35.657 1.00 101.92 ? 11 SER e CB 1 ? ? +41221 ATOM O OG . SER Y 21 6 ? 25.644 22.429 36.280 1.00 103.95 ? 11 SER e OG 1 ? ? +41222 ATOM C C . SER Y 21 6 ? 26.479 25.317 36.378 1.00 99.92 ? 11 SER e C 1 ? ? +41223 ATOM O O . SER Y 21 6 ? 25.939 26.339 36.803 1.00 99.67 ? 11 SER e O 1 ? ? +41224 ATOM N N . ASP Y 21 7 ? 27.607 24.816 36.892 1.00 98.46 ? 12 ASP e N 1 ? ? +41225 ATOM C CA . ASP Y 21 7 ? 28.380 25.547 37.885 1.00 99.18 ? 12 ASP e CA 1 ? ? +41226 ATOM C CB . ASP Y 21 7 ? 29.550 24.708 38.427 1.00 100.31 ? 12 ASP e CB 1 ? ? +41227 ATOM C CG . ASP Y 21 7 ? 29.194 23.681 39.466 1.00 101.06 ? 12 ASP e CG 1 ? ? +41228 ATOM O OD1 . ASP Y 21 7 ? 27.993 23.431 39.666 1.00 102.08 ? 12 ASP e OD1 1 ? ? +41229 ATOM O OD2 . ASP Y 21 7 ? 30.115 23.143 40.093 1.00 102.43 ? 12 ASP e OD2 1 ? ? +41230 ATOM C C . ASP Y 21 7 ? 28.922 26.860 37.322 1.00 98.18 ? 12 ASP e C 1 ? ? +41231 ATOM O O . ASP Y 21 7 ? 28.864 27.880 37.994 1.00 99.21 ? 12 ASP e O 1 ? ? +41232 ATOM N N . ILE Y 21 8 ? 29.444 26.832 36.088 1.00 96.47 ? 13 ILE e N 1 ? ? +41233 ATOM C CA . ILE Y 21 8 ? 30.064 28.002 35.484 1.00 95.11 ? 13 ILE e CA 1 ? ? +41234 ATOM C CB . ILE Y 21 8 ? 30.852 27.629 34.199 1.00 94.79 ? 13 ILE e CB 1 ? ? +41235 ATOM C CG1 . ILE Y 21 8 ? 32.039 26.685 34.529 1.00 95.79 ? 13 ILE e CG1 1 ? ? +41236 ATOM C CG2 . ILE Y 21 8 ? 31.323 28.900 33.458 1.00 94.68 ? 13 ILE e CG2 1 ? ? +41237 ATOM C CD1 . ILE Y 21 8 ? 32.696 26.038 33.321 1.00 95.36 ? 13 ILE e CD1 1 ? ? +41238 ATOM C C . ILE Y 21 8 ? 29.051 29.111 35.200 1.00 93.94 ? 13 ILE e C 1 ? ? +41239 ATOM O O . ILE Y 21 8 ? 29.255 30.242 35.630 1.00 93.48 ? 13 ILE e O 1 ? ? +41240 ATOM N N . ILE Y 21 9 ? 27.965 28.786 34.485 1.00 92.26 ? 14 ILE e N 1 ? ? +41241 ATOM C CA . ILE Y 21 9 ? 27.021 29.799 34.025 1.00 91.83 ? 14 ILE e CA 1 ? ? +41242 ATOM C CB . ILE Y 21 9 ? 26.144 29.299 32.831 1.00 91.04 ? 14 ILE e CB 1 ? ? +41243 ATOM C CG1 . ILE Y 21 9 ? 25.151 28.192 33.267 1.00 90.59 ? 14 ILE e CG1 1 ? ? +41244 ATOM C CG2 . ILE Y 21 9 ? 27.029 28.885 31.650 1.00 90.71 ? 14 ILE e CG2 1 ? ? +41245 ATOM C CD1 . ILE Y 21 9 ? 24.244 27.672 32.195 1.00 89.20 ? 14 ILE e CD1 1 ? ? +41246 ATOM C C . ILE Y 21 9 ? 26.125 30.356 35.134 1.00 91.40 ? 14 ILE e C 1 ? ? +41247 ATOM O O . ILE Y 21 9 ? 25.366 31.294 34.888 1.00 91.41 ? 14 ILE e O 1 ? ? +41248 ATOM N N . THR Y 21 10 ? 26.203 29.762 36.336 1.00 90.78 ? 15 THR e N 1 ? ? +41249 ATOM C CA . THR Y 21 10 ? 25.522 30.292 37.508 1.00 90.58 ? 15 THR e CA 1 ? ? +41250 ATOM C CB . THR Y 21 10 ? 24.756 29.178 38.228 1.00 90.13 ? 15 THR e CB 1 ? ? +41251 ATOM O OG1 . THR Y 21 10 ? 25.670 28.144 38.590 1.00 90.44 ? 15 THR e OG1 1 ? ? +41252 ATOM C CG2 . THR Y 21 10 ? 23.630 28.614 37.377 1.00 88.74 ? 15 THR e CG2 1 ? ? +41253 ATOM C C . THR Y 21 10 ? 26.476 30.997 38.472 1.00 90.72 ? 15 THR e C 1 ? ? +41254 ATOM O O . THR Y 21 10 ? 26.047 31.464 39.522 1.00 90.33 ? 15 THR e O 1 ? ? +41255 ATOM N N . SER Y 21 11 ? 27.760 31.084 38.098 1.00 91.06 ? 16 SER e N 1 ? ? +41256 ATOM C CA . SER Y 21 11 ? 28.760 31.754 38.913 1.00 92.17 ? 16 SER e CA 1 ? ? +41257 ATOM C CB . SER Y 21 11 ? 30.154 31.179 38.672 1.00 92.10 ? 16 SER e CB 1 ? ? +41258 ATOM O OG . SER Y 21 11 ? 30.692 31.626 37.439 1.00 91.81 ? 16 SER e OG 1 ? ? +41259 ATOM C C . SER Y 21 11 ? 28.772 33.247 38.613 1.00 92.54 ? 16 SER e C 1 ? ? +41260 ATOM O O . SER Y 21 11 ? 28.489 33.663 37.495 1.00 91.38 ? 16 SER e O 1 ? ? +41261 ATOM N N . VAL Y 21 12 ? 29.133 34.041 39.621 1.00 94.08 ? 17 VAL e N 1 ? ? +41262 ATOM C CA . VAL Y 21 12 ? 29.214 35.482 39.467 1.00 95.13 ? 17 VAL e CA 1 ? ? +41263 ATOM C CB . VAL Y 21 12 ? 29.376 36.186 40.840 1.00 97.39 ? 17 VAL e CB 1 ? ? +41264 ATOM C CG1 . VAL Y 21 12 ? 29.182 37.697 40.714 1.00 98.11 ? 17 VAL e CG1 1 ? ? +41265 ATOM C CG2 . VAL Y 21 12 ? 28.415 35.607 41.881 1.00 97.86 ? 17 VAL e CG2 1 ? ? +41266 ATOM C C . VAL Y 21 12 ? 30.355 35.843 38.518 1.00 94.74 ? 17 VAL e C 1 ? ? +41267 ATOM O O . VAL Y 21 12 ? 30.208 36.744 37.695 1.00 94.14 ? 17 VAL e O 1 ? ? +41268 ATOM N N . ARG Y 21 13 ? 31.485 35.132 38.639 1.00 95.30 ? 18 ARG e N 1 ? ? +41269 ATOM C CA . ARG Y 21 13 ? 32.672 35.439 37.860 1.00 96.33 ? 18 ARG e CA 1 ? ? +41270 ATOM C CB . ARG Y 21 13 ? 33.845 34.526 38.241 1.00 100.39 ? 18 ARG e CB 1 ? ? +41271 ATOM C CG . ARG Y 21 13 ? 35.171 34.891 37.561 1.00 104.63 ? 18 ARG e CG 1 ? ? +41272 ATOM C CD . ARG Y 21 13 ? 36.205 33.786 37.678 1.00 109.41 ? 18 ARG e CD 1 ? ? +41273 ATOM N NE . ARG Y 21 13 ? 37.333 33.988 36.773 1.00 115.33 ? 18 ARG e NE 1 ? ? +41274 ATOM C CZ . ARG Y 21 13 ? 38.347 33.141 36.621 1.00 120.29 ? 18 ARG e CZ 1 ? ? +41275 ATOM N NH1 . ARG Y 21 13 ? 38.402 31.996 37.284 1.00 122.23 ? 18 ARG e NH1 1 ? ? +41276 ATOM N NH2 . ARG Y 21 13 ? 39.330 33.450 35.778 1.00 120.94 ? 18 ARG e NH2 1 ? ? +41277 ATOM C C . ARG Y 21 13 ? 32.367 35.318 36.371 1.00 92.58 ? 18 ARG e C 1 ? ? +41278 ATOM O O . ARG Y 21 13 ? 32.803 36.152 35.587 1.00 91.56 ? 18 ARG e O 1 ? ? +41279 ATOM N N . TYR Y 21 14 ? 31.614 34.279 35.996 1.00 89.79 ? 19 TYR e N 1 ? ? +41280 ATOM C CA . TYR Y 21 14 ? 31.206 34.100 34.613 1.00 87.40 ? 19 TYR e CA 1 ? ? +41281 ATOM C CB . TYR Y 21 14 ? 30.261 32.904 34.453 1.00 86.00 ? 19 TYR e CB 1 ? ? +41282 ATOM C CG . TYR Y 21 14 ? 29.747 32.762 33.037 1.00 84.62 ? 19 TYR e CG 1 ? ? +41283 ATOM C CD1 . TYR Y 21 14 ? 30.554 32.248 32.031 1.00 83.87 ? 19 TYR e CD1 1 ? ? +41284 ATOM C CD2 . TYR Y 21 14 ? 28.473 33.194 32.691 1.00 84.12 ? 19 TYR e CD2 1 ? ? +41285 ATOM C CE1 . TYR Y 21 14 ? 30.105 32.156 30.722 1.00 82.59 ? 19 TYR e CE1 1 ? ? +41286 ATOM C CE2 . TYR Y 21 14 ? 28.012 33.105 31.383 1.00 82.91 ? 19 TYR e CE2 1 ? ? +41287 ATOM C CZ . TYR Y 21 14 ? 28.838 32.591 30.400 1.00 82.23 ? 19 TYR e CZ 1 ? ? +41288 ATOM O OH . TYR Y 21 14 ? 28.414 32.480 29.104 1.00 81.56 ? 19 TYR e OH 1 ? ? +41289 ATOM C C . TYR Y 21 14 ? 30.529 35.358 34.073 1.00 86.50 ? 19 TYR e C 1 ? ? +41290 ATOM O O . TYR Y 21 14 ? 30.911 35.871 33.020 1.00 85.63 ? 19 TYR e O 1 ? ? +41291 ATOM N N . TRP Y 21 15 ? 29.534 35.849 34.820 1.00 86.38 ? 20 TRP e N 1 ? ? +41292 ATOM C CA . TRP Y 21 15 ? 28.705 36.959 34.377 1.00 86.00 ? 20 TRP e CA 1 ? ? +41293 ATOM C CB . TRP Y 21 15 ? 27.383 37.009 35.179 1.00 86.19 ? 20 TRP e CB 1 ? ? +41294 ATOM C CG . TRP Y 21 15 ? 26.405 35.976 34.719 1.00 85.56 ? 20 TRP e CG 1 ? ? +41295 ATOM C CD1 . TRP Y 21 15 ? 26.029 34.837 35.370 1.00 85.57 ? 20 TRP e CD1 1 ? ? +41296 ATOM N NE1 . TRP Y 21 15 ? 25.132 34.127 34.606 1.00 84.96 ? 20 TRP e NE1 1 ? ? +41297 ATOM C CE2 . TRP Y 21 15 ? 24.909 34.812 33.438 1.00 84.86 ? 20 TRP e CE2 1 ? ? +41298 ATOM C CZ2 . TRP Y 21 15 ? 24.085 34.509 32.352 1.00 84.25 ? 20 TRP e CZ2 1 ? ? +41299 ATOM C CH2 . TRP Y 21 15 ? 24.073 35.395 31.298 1.00 84.07 ? 20 TRP e CH2 1 ? ? +41300 ATOM C CZ3 . TRP Y 21 15 ? 24.846 36.556 31.310 1.00 84.48 ? 20 TRP e CZ3 1 ? ? +41301 ATOM C CE3 . TRP Y 21 15 ? 25.660 36.861 32.386 1.00 85.52 ? 20 TRP e CE3 1 ? ? +41302 ATOM C CD2 . TRP Y 21 15 ? 25.701 35.979 33.477 1.00 85.48 ? 20 TRP e CD2 1 ? ? +41303 ATOM C C . TRP Y 21 15 ? 29.447 38.293 34.430 1.00 86.28 ? 20 TRP e C 1 ? ? +41304 ATOM O O . TRP Y 21 15 ? 29.198 39.161 33.597 1.00 86.32 ? 20 TRP e O 1 ? ? +41305 ATOM N N . VAL Y 21 16 ? 30.358 38.451 35.400 1.00 86.78 ? 21 VAL e N 1 ? ? +41306 ATOM C CA . VAL Y 21 16 ? 31.212 39.627 35.444 1.00 87.59 ? 21 VAL e CA 1 ? ? +41307 ATOM C CB . VAL Y 21 16 ? 32.211 39.629 36.647 1.00 88.31 ? 21 VAL e CB 1 ? ? +41308 ATOM C CG1 . VAL Y 21 16 ? 33.305 40.669 36.459 1.00 88.99 ? 21 VAL e CG1 1 ? ? +41309 ATOM C CG2 . VAL Y 21 16 ? 31.507 39.854 37.975 1.00 88.67 ? 21 VAL e CG2 1 ? ? +41310 ATOM C C . VAL Y 21 16 ? 31.952 39.728 34.109 1.00 87.58 ? 21 VAL e C 1 ? ? +41311 ATOM O O . VAL Y 21 16 ? 31.886 40.754 33.433 1.00 87.93 ? 21 VAL e O 1 ? ? +41312 ATOM N N . ILE Y 21 17 ? 32.646 38.645 33.733 1.00 87.23 ? 22 ILE e N 1 ? ? +41313 ATOM C CA . ILE Y 21 17 ? 33.440 38.621 32.515 1.00 86.95 ? 22 ILE e CA 1 ? ? +41314 ATOM C CB . ILE Y 21 17 ? 34.243 37.297 32.390 1.00 86.71 ? 22 ILE e CB 1 ? ? +41315 ATOM C CG1 . ILE Y 21 17 ? 35.300 37.183 33.502 1.00 87.65 ? 22 ILE e CG1 1 ? ? +41316 ATOM C CG2 . ILE Y 21 17 ? 34.907 37.143 31.020 1.00 86.44 ? 22 ILE e CG2 1 ? ? +41317 ATOM C CD1 . ILE Y 21 17 ? 36.327 38.309 33.489 1.00 88.67 ? 22 ILE e CD1 1 ? ? +41318 ATOM C C . ILE Y 21 17 ? 32.560 38.833 31.293 1.00 86.21 ? 22 ILE e C 1 ? ? +41319 ATOM O O . ILE Y 21 17 ? 32.849 39.684 30.455 1.00 86.48 ? 22 ILE e O 1 ? ? +41320 ATOM N N . HIS Y 21 18 ? 31.486 38.045 31.222 1.00 85.43 ? 23 HIS e N 1 ? ? +41321 ATOM C CA . HIS Y 21 18 ? 30.744 37.871 29.987 1.00 84.57 ? 23 HIS e CA 1 ? ? +41322 ATOM C CB . HIS Y 21 18 ? 30.164 36.436 29.972 1.00 83.98 ? 23 HIS e CB 1 ? ? +41323 ATOM C CG . HIS Y 21 18 ? 31.165 35.424 29.494 1.00 83.70 ? 23 HIS e CG 1 ? ? +41324 ATOM N ND1 . HIS Y 21 18 ? 31.494 35.364 28.167 1.00 83.43 ? 23 HIS e ND1 1 ? ? +41325 ATOM C CE1 . HIS Y 21 18 ? 32.408 34.418 28.045 1.00 83.32 ? 23 HIS e CE1 1 ? ? +41326 ATOM N NE2 . HIS Y 21 18 ? 32.687 33.849 29.201 1.00 83.31 ? 23 HIS e NE2 1 ? ? +41327 ATOM C CD2 . HIS Y 21 18 ? 31.909 34.506 30.160 1.00 83.74 ? 23 HIS e CD2 1 ? ? +41328 ATOM C C . HIS Y 21 18 ? 29.702 38.963 29.740 1.00 84.48 ? 23 HIS e C 1 ? ? +41329 ATOM O O . HIS Y 21 18 ? 29.253 39.138 28.609 1.00 83.60 ? 23 HIS e O 1 ? ? +41330 ATOM N N . SER Y 21 19 ? 29.349 39.722 30.787 1.00 85.32 ? 24 SER e N 1 ? ? +41331 ATOM C CA . SER Y 21 19 ? 28.491 40.886 30.621 1.00 85.49 ? 24 SER e CA 1 ? ? +41332 ATOM C CB . SER Y 21 19 ? 27.926 41.367 31.954 1.00 86.01 ? 24 SER e CB 1 ? ? +41333 ATOM O OG . SER Y 21 19 ? 28.947 41.927 32.761 1.00 86.96 ? 24 SER e OG 1 ? ? +41334 ATOM C C . SER Y 21 19 ? 29.231 42.029 29.929 1.00 85.87 ? 24 SER e C 1 ? ? +41335 ATOM O O . SER Y 21 19 ? 28.589 42.945 29.425 1.00 85.64 ? 24 SER e O 1 ? ? +41336 ATOM N N . ILE Y 21 20 ? 30.570 41.973 29.921 1.00 86.22 ? 25 ILE e N 1 ? ? +41337 ATOM C CA . ILE Y 21 20 ? 31.387 42.875 29.120 1.00 86.56 ? 25 ILE e CA 1 ? ? +41338 ATOM C CB . ILE Y 21 20 ? 32.752 43.132 29.802 1.00 87.67 ? 25 ILE e CB 1 ? ? +41339 ATOM C CG1 . ILE Y 21 20 ? 32.623 43.836 31.169 1.00 88.96 ? 25 ILE e CG1 1 ? ? +41340 ATOM C CG2 . ILE Y 21 20 ? 33.690 43.903 28.870 1.00 88.03 ? 25 ILE e CG2 1 ? ? +41341 ATOM C CD1 . ILE Y 21 20 ? 31.935 45.202 31.126 1.00 89.40 ? 25 ILE e CD1 1 ? ? +41342 ATOM C C . ILE Y 21 20 ? 31.610 42.335 27.704 1.00 85.92 ? 25 ILE e C 1 ? ? +41343 ATOM O O . ILE Y 21 20 ? 31.323 43.014 26.709 1.00 86.12 ? 25 ILE e O 1 ? ? +41344 ATOM N N . THR Y 21 21 ? 32.136 41.104 27.611 1.00 85.03 ? 26 THR e N 1 ? ? +41345 ATOM C CA . THR Y 21 21 ? 32.601 40.572 26.338 1.00 83.53 ? 26 THR e CA 1 ? ? +41346 ATOM C CB . THR Y 21 21 ? 33.401 39.284 26.539 1.00 83.51 ? 26 THR e CB 1 ? ? +41347 ATOM O OG1 . THR Y 21 21 ? 32.601 38.354 27.284 1.00 83.51 ? 26 THR e OG1 1 ? ? +41348 ATOM C CG2 . THR Y 21 21 ? 34.733 39.544 27.237 1.00 84.49 ? 26 THR e CG2 1 ? ? +41349 ATOM C C . THR Y 21 21 ? 31.484 40.332 25.327 1.00 81.29 ? 26 THR e C 1 ? ? +41350 ATOM O O . THR Y 21 21 ? 31.700 40.495 24.129 1.00 81.11 ? 26 THR e O 1 ? ? +41351 ATOM N N . ILE Y 21 22 ? 30.300 39.935 25.799 1.00 79.63 ? 27 ILE e N 1 ? ? +41352 ATOM C CA . ILE Y 21 22 ? 29.192 39.664 24.895 1.00 78.06 ? 27 ILE e CA 1 ? ? +41353 ATOM C CB . ILE Y 21 22 ? 28.059 38.881 25.616 1.00 77.59 ? 27 ILE e CB 1 ? ? +41354 ATOM C CG1 . ILE Y 21 22 ? 28.508 37.415 25.863 1.00 77.18 ? 27 ILE e CG1 1 ? ? +41355 ATOM C CG2 . ILE Y 21 22 ? 26.745 38.940 24.847 1.00 76.79 ? 27 ILE e CG2 1 ? ? +41356 ATOM C CD1 . ILE Y 21 22 ? 27.560 36.565 26.675 1.00 76.68 ? 27 ILE e CD1 1 ? ? +41357 ATOM C C . ILE Y 21 22 ? 28.702 40.937 24.204 1.00 77.56 ? 27 ILE e C 1 ? ? +41358 ATOM O O . ILE Y 21 22 ? 28.645 40.967 22.982 1.00 76.65 ? 27 ILE e O 1 ? ? +41359 ATOM N N . PRO Y 21 23 ? 28.340 42.029 24.922 1.00 77.92 ? 28 PRO e N 1 ? ? +41360 ATOM C CA . PRO Y 21 23 ? 28.010 43.300 24.269 1.00 77.61 ? 28 PRO e CA 1 ? ? +41361 ATOM C CB . PRO Y 21 23 ? 27.741 44.247 25.450 1.00 78.60 ? 28 PRO e CB 1 ? ? +41362 ATOM C CG . PRO Y 21 23 ? 27.401 43.359 26.588 1.00 78.73 ? 28 PRO e CG 1 ? ? +41363 ATOM C CD . PRO Y 21 23 ? 28.204 42.106 26.387 1.00 78.52 ? 28 PRO e CD 1 ? ? +41364 ATOM C C . PRO Y 21 23 ? 29.108 43.871 23.375 1.00 77.16 ? 28 PRO e C 1 ? ? +41365 ATOM O O . PRO Y 21 23 ? 28.824 44.398 22.306 1.00 76.68 ? 28 PRO e O 1 ? ? +41366 ATOM N N . ALA Y 21 24 ? 30.362 43.777 23.824 1.00 77.20 ? 29 ALA e N 1 ? ? +41367 ATOM C CA . ALA Y 21 24 ? 31.476 44.297 23.047 1.00 77.28 ? 29 ALA e CA 1 ? ? +41368 ATOM C CB . ALA Y 21 24 ? 32.780 44.061 23.790 1.00 77.90 ? 29 ALA e CB 1 ? ? +41369 ATOM C C . ALA Y 21 24 ? 31.532 43.691 21.641 1.00 76.12 ? 29 ALA e C 1 ? ? +41370 ATOM O O . ALA Y 21 24 ? 31.714 44.404 20.654 1.00 76.06 ? 29 ALA e O 1 ? ? +41371 ATOM N N . LEU Y 21 25 ? 31.372 42.366 21.558 1.00 75.11 ? 30 LEU e N 1 ? ? +41372 ATOM C CA . LEU Y 21 25 ? 31.341 41.667 20.282 1.00 74.00 ? 30 LEU e CA 1 ? ? +41373 ATOM C CB . LEU Y 21 25 ? 31.361 40.138 20.507 1.00 73.40 ? 30 LEU e CB 1 ? ? +41374 ATOM C CG . LEU Y 21 25 ? 32.674 39.529 20.953 1.00 73.78 ? 30 LEU e CG 1 ? ? +41375 ATOM C CD1 . LEU Y 21 25 ? 32.503 38.066 21.249 1.00 73.19 ? 30 LEU e CD1 1 ? ? +41376 ATOM C CD2 . LEU Y 21 25 ? 33.738 39.709 19.900 1.00 73.93 ? 30 LEU e CD2 1 ? ? +41377 ATOM C C . LEU Y 21 25 ? 30.101 42.048 19.471 1.00 73.13 ? 30 LEU e C 1 ? ? +41378 ATOM O O . LEU Y 21 25 ? 30.192 42.289 18.272 1.00 72.89 ? 30 LEU e O 1 ? ? +41379 ATOM N N . PHE Y 21 26 ? 28.943 42.098 20.138 1.00 72.52 ? 31 PHE e N 1 ? ? +41380 ATOM C CA . PHE Y 21 26 ? 27.695 42.461 19.487 1.00 71.73 ? 31 PHE e CA 1 ? ? +41381 ATOM C CB . PHE Y 21 26 ? 26.536 42.402 20.496 1.00 71.68 ? 31 PHE e CB 1 ? ? +41382 ATOM C CG . PHE Y 21 26 ? 25.160 42.594 19.905 1.00 71.07 ? 31 PHE e CG 1 ? ? +41383 ATOM C CD1 . PHE Y 21 26 ? 24.612 43.860 19.779 1.00 71.51 ? 31 PHE e CD1 1 ? ? +41384 ATOM C CD2 . PHE Y 21 26 ? 24.422 41.513 19.465 1.00 70.21 ? 31 PHE e CD2 1 ? ? +41385 ATOM C CE1 . PHE Y 21 26 ? 23.349 44.038 19.244 1.00 70.97 ? 31 PHE e CE1 1 ? ? +41386 ATOM C CE2 . PHE Y 21 26 ? 23.151 41.694 18.928 1.00 69.76 ? 31 PHE e CE2 1 ? ? +41387 ATOM C CZ . PHE Y 21 26 ? 22.625 42.956 18.819 1.00 70.18 ? 31 PHE e CZ 1 ? ? +41388 ATOM C C . PHE Y 21 26 ? 27.802 43.847 18.860 1.00 71.95 ? 31 PHE e C 1 ? ? +41389 ATOM O O . PHE Y 21 26 ? 27.494 44.019 17.686 1.00 71.37 ? 31 PHE e O 1 ? ? +41390 ATOM N N . ILE Y 21 27 ? 28.262 44.821 19.652 1.00 72.75 ? 32 ILE e N 1 ? ? +41391 ATOM C CA . ILE Y 21 27 ? 28.471 46.174 19.164 1.00 73.26 ? 32 ILE e CA 1 ? ? +41392 ATOM C CB . ILE Y 21 27 ? 28.906 47.128 20.330 1.00 74.42 ? 32 ILE e CB 1 ? ? +41393 ATOM C CG1 . ILE Y 21 27 ? 27.794 47.297 21.403 1.00 74.66 ? 32 ILE e CG1 1 ? ? +41394 ATOM C CG2 . ILE Y 21 27 ? 29.353 48.492 19.810 1.00 75.03 ? 32 ILE e CG2 1 ? ? +41395 ATOM C CD1 . ILE Y 21 27 ? 26.419 47.830 20.865 1.00 74.35 ? 32 ILE e CD1 1 ? ? +41396 ATOM C C . ILE Y 21 27 ? 29.481 46.208 18.018 1.00 73.10 ? 32 ILE e C 1 ? ? +41397 ATOM O O . ILE Y 21 27 ? 29.305 46.969 17.066 1.00 73.09 ? 32 ILE e O 1 ? ? +41398 ATOM N N . ALA Y 21 28 ? 30.544 45.396 18.117 1.00 72.99 ? 33 ALA e N 1 ? ? +41399 ATOM C CA . ALA Y 21 28 ? 31.554 45.340 17.072 1.00 72.84 ? 33 ALA e CA 1 ? ? +41400 ATOM C CB . ALA Y 21 28 ? 32.709 44.461 17.505 1.00 72.96 ? 33 ALA e CB 1 ? ? +41401 ATOM C C . ALA Y 21 28 ? 30.955 44.837 15.756 1.00 71.84 ? 33 ALA e C 1 ? ? +41402 ATOM O O . ALA Y 21 28 ? 31.267 45.358 14.688 1.00 71.86 ? 33 ALA e O 1 ? ? +41403 ATOM N N . GLY Y 21 29 ? 30.090 43.821 15.849 1.00 70.90 ? 34 GLY e N 1 ? ? +41404 ATOM C CA . GLY Y 21 29 ? 29.367 43.300 14.700 1.00 69.93 ? 34 GLY e CA 1 ? ? +41405 ATOM C C . GLY Y 21 29 ? 28.398 44.315 14.094 1.00 69.85 ? 34 GLY e C 1 ? ? +41406 ATOM O O . GLY Y 21 29 ? 28.295 44.426 12.871 1.00 69.63 ? 34 GLY e O 1 ? ? +41407 ATOM N N . TRP Y 21 30 ? 27.701 45.054 14.969 1.00 70.02 ? 35 TRP e N 1 ? ? +41408 ATOM C CA . TRP Y 21 30 ? 26.826 46.135 14.550 1.00 69.94 ? 35 TRP e CA 1 ? ? +41409 ATOM C CB . TRP Y 21 30 ? 26.134 46.770 15.782 1.00 70.36 ? 35 TRP e CB 1 ? ? +41410 ATOM C CG . TRP Y 21 30 ? 25.108 47.808 15.437 1.00 70.47 ? 35 TRP e CG 1 ? ? +41411 ATOM C CD1 . TRP Y 21 30 ? 25.342 49.040 14.908 1.00 71.08 ? 35 TRP e CD1 1 ? ? +41412 ATOM N NE1 . TRP Y 21 30 ? 24.156 49.704 14.712 1.00 71.03 ? 35 TRP e NE1 1 ? ? +41413 ATOM C CE2 . TRP Y 21 30 ? 23.125 48.894 15.093 1.00 70.38 ? 35 TRP e CE2 1 ? ? +41414 ATOM C CZ2 . TRP Y 21 30 ? 21.754 49.121 15.081 1.00 70.16 ? 35 TRP e CZ2 1 ? ? +41415 ATOM C CH2 . TRP Y 21 30 ? 20.942 48.114 15.536 1.00 69.54 ? 35 TRP e CH2 1 ? ? +41416 ATOM C CZ3 . TRP Y 21 30 ? 21.468 46.908 16.002 1.00 69.16 ? 35 TRP e CZ3 1 ? ? +41417 ATOM C CE3 . TRP Y 21 30 ? 22.831 46.681 16.015 1.00 69.41 ? 35 TRP e CE3 1 ? ? +41418 ATOM C CD2 . TRP Y 21 30 ? 23.687 47.688 15.556 1.00 70.02 ? 35 TRP e CD2 1 ? ? +41419 ATOM C C . TRP Y 21 30 ? 27.595 47.167 13.723 1.00 70.45 ? 35 TRP e C 1 ? ? +41420 ATOM O O . TRP Y 21 30 ? 27.203 47.484 12.603 1.00 70.10 ? 35 TRP e O 1 ? ? +41421 ATOM N N . LEU Y 21 31 ? 28.709 47.669 14.270 1.00 71.31 ? 36 LEU e N 1 ? ? +41422 ATOM C CA . LEU Y 21 31 ? 29.509 48.687 13.601 1.00 71.98 ? 36 LEU e CA 1 ? ? +41423 ATOM C CB . LEU Y 21 31 ? 30.587 49.204 14.560 1.00 73.00 ? 36 LEU e CB 1 ? ? +41424 ATOM C CG . LEU Y 21 31 ? 30.057 49.940 15.808 1.00 73.64 ? 36 LEU e CG 1 ? ? +41425 ATOM C CD1 . LEU Y 21 31 ? 31.165 50.213 16.801 1.00 74.53 ? 36 LEU e CD1 1 ? ? +41426 ATOM C CD2 . LEU Y 21 31 ? 29.378 51.257 15.452 1.00 74.03 ? 36 LEU e CD2 1 ? ? +41427 ATOM C C . LEU Y 21 31 ? 30.151 48.211 12.295 1.00 71.51 ? 36 LEU e C 1 ? ? +41428 ATOM O O . LEU Y 21 31 ? 30.297 48.996 11.359 1.00 71.73 ? 36 LEU e O 1 ? ? +41429 ATOM N N . PHE Y 21 32 ? 30.502 46.920 12.221 1.00 70.83 ? 37 PHE e N 1 ? ? +41430 ATOM C CA . PHE Y 21 32 ? 31.027 46.328 10.998 1.00 70.32 ? 37 PHE e CA 1 ? ? +41431 ATOM C CB . PHE Y 21 32 ? 31.273 44.813 11.202 1.00 69.54 ? 37 PHE e CB 1 ? ? +41432 ATOM C CG . PHE Y 21 32 ? 32.039 44.152 10.081 1.00 68.99 ? 37 PHE e CG 1 ? ? +41433 ATOM C CD1 . PHE Y 21 32 ? 33.316 44.578 9.746 1.00 69.54 ? 37 PHE e CD1 1 ? ? +41434 ATOM C CD2 . PHE Y 21 32 ? 31.479 43.113 9.358 1.00 67.95 ? 37 PHE e CD2 1 ? ? +41435 ATOM C CE1 . PHE Y 21 32 ? 34.013 43.977 8.713 1.00 69.18 ? 37 PHE e CE1 1 ? ? +41436 ATOM C CE2 . PHE Y 21 32 ? 32.172 42.521 8.326 1.00 67.60 ? 37 PHE e CE2 1 ? ? +41437 ATOM C CZ . PHE Y 21 32 ? 33.438 42.951 8.007 1.00 68.26 ? 37 PHE e CZ 1 ? ? +41438 ATOM C C . PHE Y 21 32 ? 30.105 46.550 9.799 1.00 69.89 ? 37 PHE e C 1 ? ? +41439 ATOM O O . PHE Y 21 32 ? 30.576 46.776 8.682 1.00 69.94 ? 37 PHE e O 1 ? ? +41440 ATOM N N . VAL Y 21 33 ? 28.791 46.475 10.050 1.00 69.53 ? 38 VAL e N 1 ? ? +41441 ATOM C CA . VAL Y 21 33 ? 27.780 46.767 9.048 1.00 69.14 ? 38 VAL e CA 1 ? ? +41442 ATOM C CB . VAL Y 21 33 ? 26.466 46.020 9.383 1.00 68.43 ? 38 VAL e CB 1 ? ? +41443 ATOM C CG1 . VAL Y 21 33 ? 25.277 46.572 8.594 1.00 68.15 ? 38 VAL e CG1 1 ? ? +41444 ATOM C CG2 . VAL Y 21 33 ? 26.631 44.524 9.164 1.00 67.61 ? 38 VAL e CG2 1 ? ? +41445 ATOM C C . VAL Y 21 33 ? 27.542 48.268 8.924 1.00 69.95 ? 38 VAL e C 1 ? ? +41446 ATOM O O . VAL Y 21 33 ? 27.639 48.812 7.828 1.00 70.07 ? 38 VAL e O 1 ? ? +41447 ATOM N N . SER Y 21 34 ? 27.232 48.925 10.051 1.00 70.66 ? 39 SER e N 1 ? ? +41448 ATOM C CA . SER Y 21 34 ? 26.696 50.279 10.029 1.00 71.37 ? 39 SER e CA 1 ? ? +41449 ATOM C CB . SER Y 21 34 ? 26.153 50.672 11.400 1.00 71.82 ? 39 SER e CB 1 ? ? +41450 ATOM O OG . SER Y 21 34 ? 27.191 50.875 12.337 1.00 72.69 ? 39 SER e OG 1 ? ? +41451 ATOM C C . SER Y 21 34 ? 27.695 51.319 9.528 1.00 72.30 ? 39 SER e C 1 ? ? +41452 ATOM O O . SER Y 21 34 ? 27.292 52.357 9.011 1.00 72.76 ? 39 SER e O 1 ? ? +41453 ATOM N N . THR Y 21 35 ? 28.996 51.032 9.655 1.00 72.71 ? 40 THR e N 1 ? ? +41454 ATOM C CA . THR Y 21 35 ? 30.017 51.889 9.076 1.00 73.53 ? 40 THR e CA 1 ? ? +41455 ATOM C CB . THR Y 21 35 ? 31.348 51.693 9.801 1.00 74.16 ? 40 THR e CB 1 ? ? +41456 ATOM O OG1 . THR Y 21 35 ? 31.844 50.375 9.549 1.00 73.61 ? 40 THR e OG1 1 ? ? +41457 ATOM C CG2 . THR Y 21 35 ? 31.224 51.925 11.305 1.00 74.67 ? 40 THR e CG2 1 ? ? +41458 ATOM C C . THR Y 21 35 ? 30.165 51.652 7.572 1.00 73.16 ? 40 THR e C 1 ? ? +41459 ATOM O O . THR Y 21 35 ? 30.845 52.415 6.889 1.00 73.69 ? 40 THR e O 1 ? ? +41460 ATOM N N . GLY Y 21 36 ? 29.536 50.581 7.071 1.00 72.30 ? 41 GLY e N 1 ? ? +41461 ATOM C CA . GLY Y 21 36 ? 29.605 50.210 5.670 1.00 71.94 ? 41 GLY e CA 1 ? ? +41462 ATOM C C . GLY Y 21 36 ? 30.807 49.326 5.332 1.00 71.99 ? 41 GLY e C 1 ? ? +41463 ATOM O O . GLY Y 21 36 ? 31.002 48.955 4.174 1.00 71.70 ? 41 GLY e O 1 ? ? +41464 ATOM N N . LEU Y 21 37 ? 31.603 48.971 6.348 1.00 72.43 ? 42 LEU e N 1 ? ? +41465 ATOM C CA . LEU Y 21 37 ? 32.834 48.233 6.124 1.00 72.42 ? 42 LEU e CA 1 ? ? +41466 ATOM C CB . LEU Y 21 37 ? 33.607 48.091 7.443 1.00 73.10 ? 42 LEU e CB 1 ? ? +41467 ATOM C CG . LEU Y 21 37 ? 35.062 47.612 7.333 1.00 73.53 ? 42 LEU e CG 1 ? ? +41468 ATOM C CD1 . LEU Y 21 37 ? 35.889 48.477 6.370 1.00 74.18 ? 42 LEU e CD1 1 ? ? +41469 ATOM C CD2 . LEU Y 21 37 ? 35.740 47.645 8.700 1.00 74.17 ? 42 LEU e CD2 1 ? ? +41470 ATOM C C . LEU Y 21 37 ? 32.568 46.860 5.508 1.00 71.36 ? 42 LEU e C 1 ? ? +41471 ATOM O O . LEU Y 21 37 ? 33.311 46.419 4.635 1.00 71.24 ? 42 LEU e O 1 ? ? +41472 ATOM N N . ALA Y 21 38 ? 31.481 46.202 5.942 1.00 70.50 ? 43 ALA e N 1 ? ? +41473 ATOM C CA . ALA Y 21 38 ? 31.124 44.886 5.435 1.00 69.34 ? 43 ALA e CA 1 ? ? +41474 ATOM C CB . ALA Y 21 38 ? 29.816 44.431 6.055 1.00 68.83 ? 43 ALA e CB 1 ? ? +41475 ATOM C C . ALA Y 21 38 ? 31.025 44.850 3.910 1.00 68.73 ? 43 ALA e C 1 ? ? +41476 ATOM O O . ALA Y 21 38 ? 31.465 43.896 3.275 1.00 68.35 ? 43 ALA e O 1 ? ? +41477 ATOM N N . TYR Y 21 39 ? 30.442 45.896 3.323 1.00 68.62 ? 44 TYR e N 1 ? ? +41478 ATOM C CA . TYR Y 21 39 ? 30.336 45.996 1.879 1.00 68.04 ? 44 TYR e CA 1 ? ? +41479 ATOM C CB . TYR Y 21 39 ? 29.651 47.286 1.481 1.00 68.42 ? 44 TYR e CB 1 ? ? +41480 ATOM C CG . TYR Y 21 39 ? 28.199 47.400 1.885 1.00 67.99 ? 44 TYR e CG 1 ? ? +41481 ATOM C CD1 . TYR Y 21 39 ? 27.202 46.781 1.151 1.00 67.15 ? 44 TYR e CD1 1 ? ? +41482 ATOM C CD2 . TYR Y 21 39 ? 27.818 48.166 2.976 1.00 68.50 ? 44 TYR e CD2 1 ? ? +41483 ATOM C CE1 . TYR Y 21 39 ? 25.862 46.916 1.498 1.00 66.84 ? 44 TYR e CE1 1 ? ? +41484 ATOM C CE2 . TYR Y 21 39 ? 26.486 48.294 3.343 1.00 68.15 ? 44 TYR e CE2 1 ? ? +41485 ATOM C CZ . TYR Y 21 39 ? 25.509 47.673 2.597 1.00 67.34 ? 44 TYR e CZ 1 ? ? +41486 ATOM O OH . TYR Y 21 39 ? 24.199 47.813 2.972 1.00 67.10 ? 44 TYR e OH 1 ? ? +41487 ATOM C C . TYR Y 21 39 ? 31.700 45.948 1.203 1.00 68.17 ? 44 TYR e C 1 ? ? +41488 ATOM O O . TYR Y 21 39 ? 31.855 45.275 0.193 1.00 67.59 ? 44 TYR e O 1 ? ? +41489 ATOM N N . ASP Y 21 40 ? 32.677 46.668 1.759 1.00 68.97 ? 45 ASP e N 1 ? ? +41490 ATOM C CA . ASP Y 21 40 ? 33.980 46.799 1.119 1.00 69.34 ? 45 ASP e CA 1 ? ? +41491 ATOM C CB . ASP Y 21 40 ? 34.733 48.038 1.637 1.00 70.45 ? 45 ASP e CB 1 ? ? +41492 ATOM C CG . ASP Y 21 40 ? 34.025 49.337 1.311 1.00 70.90 ? 45 ASP e CG 1 ? ? +41493 ATOM O OD1 . ASP Y 21 40 ? 33.443 49.427 0.220 1.00 70.57 ? 45 ASP e OD1 1 ? ? +41494 ATOM O OD2 . ASP Y 21 40 ? 34.080 50.279 2.143 1.00 71.70 ? 45 ASP e OD2 1 ? ? +41495 ATOM C C . ASP Y 21 40 ? 34.849 45.554 1.268 1.00 68.90 ? 45 ASP e C 1 ? ? +41496 ATOM O O . ASP Y 21 40 ? 35.560 45.192 0.332 1.00 68.96 ? 45 ASP e O 1 ? ? +41497 ATOM N N . VAL Y 21 41 ? 34.774 44.895 2.432 1.00 68.49 ? 46 VAL e N 1 ? ? +41498 ATOM C CA . VAL Y 21 41 ? 35.541 43.683 2.670 1.00 68.01 ? 46 VAL e CA 1 ? ? +41499 ATOM C CB . VAL Y 21 41 ? 35.417 43.218 4.143 1.00 68.03 ? 46 VAL e CB 1 ? ? +41500 ATOM C CG1 . VAL Y 21 41 ? 36.017 41.828 4.352 1.00 67.63 ? 46 VAL e CG1 1 ? ? +41501 ATOM C CG2 . VAL Y 21 41 ? 36.061 44.223 5.087 1.00 69.10 ? 46 VAL e CG2 1 ? ? +41502 ATOM C C . VAL Y 21 41 ? 35.125 42.588 1.690 1.00 66.90 ? 46 VAL e C 1 ? ? +41503 ATOM O O . VAL Y 21 41 ? 35.973 41.966 1.051 1.00 66.82 ? 46 VAL e O 1 ? ? +41504 ATOM N N . PHE Y 21 42 ? 33.812 42.359 1.571 1.00 66.04 ? 47 PHE e N 1 ? ? +41505 ATOM C CA . PHE Y 21 42 ? 33.308 41.214 0.831 1.00 64.90 ? 47 PHE e CA 1 ? ? +41506 ATOM C CB . PHE Y 21 42 ? 32.100 40.637 1.565 1.00 64.19 ? 47 PHE e CB 1 ? ? +41507 ATOM C CG . PHE Y 21 42 ? 32.450 40.057 2.922 1.00 64.24 ? 47 PHE e CG 1 ? ? +41508 ATOM C CD1 . PHE Y 21 42 ? 33.217 38.910 3.031 1.00 63.96 ? 47 PHE e CD1 1 ? ? +41509 ATOM C CD2 . PHE Y 21 42 ? 32.041 40.678 4.085 1.00 64.61 ? 47 PHE e CD2 1 ? ? +41510 ATOM C CE1 . PHE Y 21 42 ? 33.547 38.390 4.277 1.00 64.09 ? 47 PHE e CE1 1 ? ? +41511 ATOM C CE2 . PHE Y 21 42 ? 32.364 40.146 5.328 1.00 64.73 ? 47 PHE e CE2 1 ? ? +41512 ATOM C CZ . PHE Y 21 42 ? 33.120 39.012 5.416 1.00 64.49 ? 47 PHE e CZ 1 ? ? +41513 ATOM C C . PHE Y 21 42 ? 32.991 41.519 -0.631 1.00 64.61 ? 47 PHE e C 1 ? ? +41514 ATOM O O . PHE Y 21 42 ? 32.931 40.603 -1.444 1.00 63.95 ? 47 PHE e O 1 ? ? +41515 ATOM N N . GLY Y 21 43 ? 32.828 42.802 -0.976 1.00 65.16 ? 48 GLY e N 1 ? ? +41516 ATOM C CA . GLY Y 21 43 ? 32.595 43.205 -2.354 1.00 65.06 ? 48 GLY e CA 1 ? ? +41517 ATOM C C . GLY Y 21 43 ? 31.122 43.188 -2.752 1.00 64.53 ? 48 GLY e C 1 ? ? +41518 ATOM O O . GLY Y 21 43 ? 30.792 43.061 -3.930 1.00 64.19 ? 48 GLY e O 1 ? ? +41519 ATOM N N . THR Y 21 44 ? 30.248 43.349 -1.753 1.00 64.55 ? 49 THR e N 1 ? ? +41520 ATOM C CA . THR Y 21 44 ? 28.811 43.236 -1.932 1.00 64.01 ? 49 THR e CA 1 ? ? +41521 ATOM C CB . THR Y 21 44 ? 28.213 42.731 -0.657 1.00 63.72 ? 49 THR e CB 1 ? ? +41522 ATOM O OG1 . THR Y 21 44 ? 28.863 41.501 -0.344 1.00 63.34 ? 49 THR e OG1 1 ? ? +41523 ATOM C CG2 . THR Y 21 44 ? 26.706 42.553 -0.757 1.00 63.14 ? 49 THR e CG2 1 ? ? +41524 ATOM C C . THR Y 21 44 ? 28.212 44.582 -2.324 1.00 64.59 ? 49 THR e C 1 ? ? +41525 ATOM O O . THR Y 21 44 ? 28.485 45.591 -1.680 1.00 65.43 ? 49 THR e O 1 ? ? +41526 ATOM N N . PRO Y 21 45 ? 27.389 44.658 -3.391 1.00 64.28 ? 50 PRO e N 1 ? ? +41527 ATOM C CA . PRO Y 21 45 ? 26.791 45.928 -3.792 1.00 64.79 ? 50 PRO e CA 1 ? ? +41528 ATOM C CB . PRO Y 21 45 ? 25.948 45.540 -5.012 1.00 64.14 ? 50 PRO e CB 1 ? ? +41529 ATOM C CG . PRO Y 21 45 ? 26.485 44.235 -5.482 1.00 63.50 ? 50 PRO e CG 1 ? ? +41530 ATOM C CD . PRO Y 21 45 ? 27.008 43.545 -4.271 1.00 63.44 ? 50 PRO e CD 1 ? ? +41531 ATOM C C . PRO Y 21 45 ? 25.909 46.533 -2.704 1.00 65.09 ? 50 PRO e C 1 ? ? +41532 ATOM O O . PRO Y 21 45 ? 25.141 45.815 -2.065 1.00 64.67 ? 50 PRO e O 1 ? ? +41533 ATOM N N A ARG Y 21 46 ? 26.031 47.850 -2.504 0.50 65.91 ? 51 ARG e N 1 ? ? +41534 ATOM N N B ARG Y 21 46 ? 26.032 47.851 -2.508 0.50 65.98 ? 51 ARG e N 1 ? ? +41535 ATOM C CA A ARG Y 21 46 ? 25.051 48.612 -1.749 0.50 66.19 ? 51 ARG e CA 1 ? ? +41536 ATOM C CA B ARG Y 21 46 ? 25.053 48.617 -1.754 0.50 66.31 ? 51 ARG e CA 1 ? ? +41537 ATOM C C A ARG Y 21 46 ? 23.794 48.738 -2.609 0.50 65.86 ? 51 ARG e C 1 ? ? +41538 ATOM C C B ARG Y 21 46 ? 23.787 48.713 -2.606 0.50 65.91 ? 51 ARG e C 1 ? ? +41539 ATOM O O A ARG Y 21 46 ? 23.862 48.551 -3.824 0.50 65.59 ? 51 ARG e O 1 ? ? +41540 ATOM O O B ARG Y 21 46 ? 23.833 48.461 -3.807 0.50 65.59 ? 51 ARG e O 1 ? ? +41541 ATOM C CB A ARG Y 21 46 ? 25.614 49.991 -1.379 0.50 67.19 ? 51 ARG e CB 1 ? ? +41542 ATOM C CB B ARG Y 21 46 ? 25.601 50.011 -1.400 0.50 67.42 ? 51 ARG e CB 1 ? ? +41543 ATOM C CG A ARG Y 21 46 ? 26.811 49.943 -0.433 0.50 67.65 ? 51 ARG e CG 1 ? ? +41544 ATOM C CG B ARG Y 21 46 ? 26.807 49.974 -0.472 0.50 67.98 ? 51 ARG e CG 1 ? ? +41545 ATOM C CD A ARG Y 21 46 ? 27.621 51.227 -0.451 0.50 68.64 ? 51 ARG e CD 1 ? ? +41546 ATOM C CD B ARG Y 21 46 ? 27.337 51.356 -0.129 0.50 69.08 ? 51 ARG e CD 1 ? ? +41547 ATOM N NE A ARG Y 21 46 ? 28.679 51.196 0.553 0.50 69.10 ? 51 ARG e NE 1 ? ? +41548 ATOM N NE B ARG Y 21 46 ? 28.574 51.279 0.643 0.50 69.65 ? 51 ARG e NE 1 ? ? +41549 ATOM C CZ A ARG Y 21 46 ? 29.918 50.789 0.322 0.50 69.15 ? 51 ARG e CZ 1 ? ? +41550 ATOM C CZ B ARG Y 21 46 ? 28.691 51.640 1.914 0.50 70.16 ? 51 ARG e CZ 1 ? ? +41551 ATOM N NH1 A ARG Y 21 46 ? 30.251 50.195 -0.811 0.50 68.67 ? 51 ARG e NH1 1 ? ? +41552 ATOM N NH1 B ARG Y 21 46 ? 27.646 52.051 2.616 0.50 70.20 ? 51 ARG e NH1 1 ? ? +41553 ATOM N NH2 A ARG Y 21 46 ? 30.840 50.962 1.262 0.50 69.73 ? 51 ARG e NH2 1 ? ? +41554 ATOM N NH2 B ARG Y 21 46 ? 29.885 51.581 2.496 0.50 70.65 ? 51 ARG e NH2 1 ? ? +41555 ATOM N N . PRO Y 21 47 ? 22.614 49.064 -2.030 1.00 65.89 ? 52 PRO e N 1 ? ? +41556 ATOM C CA . PRO Y 21 47 ? 21.375 49.154 -2.812 1.00 65.59 ? 52 PRO e CA 1 ? ? +41557 ATOM C CB . PRO Y 21 47 ? 20.367 49.694 -1.794 1.00 65.77 ? 52 PRO e CB 1 ? ? +41558 ATOM C CG . PRO Y 21 47 ? 20.916 49.270 -0.461 1.00 65.83 ? 52 PRO e CG 1 ? ? +41559 ATOM C CD . PRO Y 21 47 ? 22.408 49.376 -0.605 1.00 66.23 ? 52 PRO e CD 1 ? ? +41560 ATOM C C . PRO Y 21 47 ? 21.441 50.042 -4.056 1.00 66.08 ? 52 PRO e C 1 ? ? +41561 ATOM O O . PRO Y 21 47 ? 20.685 49.843 -5.001 1.00 65.68 ? 52 PRO e O 1 ? ? +41562 ATOM N N . ASP Y 21 48 ? 22.371 51.000 -4.066 1.00 67.08 ? 53 ASP e N 1 ? ? +41563 ATOM C CA . ASP Y 21 48 ? 22.550 51.891 -5.199 1.00 67.73 ? 53 ASP e CA 1 ? ? +41564 ATOM C CB . ASP Y 21 48 ? 22.801 53.316 -4.682 1.00 68.74 ? 53 ASP e CB 1 ? ? +41565 ATOM C CG . ASP Y 21 48 ? 24.096 53.509 -3.914 1.00 69.24 ? 53 ASP e CG 1 ? ? +41566 ATOM O OD1 . ASP Y 21 48 ? 24.879 52.565 -3.842 1.00 68.91 ? 53 ASP e OD1 1 ? ? +41567 ATOM O OD2 . ASP Y 21 48 ? 24.310 54.609 -3.386 1.00 70.06 ? 53 ASP e OD2 1 ? ? +41568 ATOM C C . ASP Y 21 48 ? 23.684 51.502 -6.144 1.00 67.92 ? 53 ASP e C 1 ? ? +41569 ATOM O O . ASP Y 21 48 ? 24.034 52.291 -7.016 1.00 68.36 ? 53 ASP e O 1 ? ? +41570 ATOM N N . SER Y 21 49 ? 24.244 50.294 -5.990 1.00 67.70 ? 54 SER e N 1 ? ? +41571 ATOM C CA . SER Y 21 49 ? 25.375 49.884 -6.810 1.00 68.01 ? 54 SER e CA 1 ? ? +41572 ATOM C CB . SER Y 21 49 ? 26.656 49.900 -5.977 1.00 68.54 ? 54 SER e CB 1 ? ? +41573 ATOM O OG . SER Y 21 49 ? 26.832 51.150 -5.335 1.00 69.45 ? 54 SER e OG 1 ? ? +41574 ATOM C C . SER Y 21 49 ? 25.229 48.522 -7.490 1.00 67.36 ? 54 SER e C 1 ? ? +41575 ATOM O O . SER Y 21 49 ? 26.229 47.927 -7.878 1.00 67.46 ? 54 SER e O 1 ? ? +41576 ATOM N N . TYR Y 21 50 ? 23.990 48.047 -7.670 1.00 66.93 ? 55 TYR e N 1 ? ? +41577 ATOM C CA . TYR Y 21 50 ? 23.736 46.871 -8.483 1.00 66.35 ? 55 TYR e CA 1 ? ? +41578 ATOM C CB . TYR Y 21 50 ? 22.353 46.269 -8.180 1.00 65.41 ? 55 TYR e CB 1 ? ? +41579 ATOM C CG . TYR Y 21 50 ? 22.317 45.459 -6.911 1.00 64.69 ? 55 TYR e CG 1 ? ? +41580 ATOM C CD1 . TYR Y 21 50 ? 22.672 44.126 -6.908 1.00 63.80 ? 55 TYR e CD1 1 ? ? +41581 ATOM C CD2 . TYR Y 21 50 ? 21.976 46.040 -5.706 1.00 64.98 ? 55 TYR e CD2 1 ? ? +41582 ATOM C CE1 . TYR Y 21 50 ? 22.675 43.385 -5.743 1.00 63.44 ? 55 TYR e CE1 1 ? ? +41583 ATOM C CE2 . TYR Y 21 50 ? 21.982 45.310 -4.531 1.00 64.64 ? 55 TYR e CE2 1 ? ? +41584 ATOM C CZ . TYR Y 21 50 ? 22.324 43.980 -4.556 1.00 63.91 ? 55 TYR e CZ 1 ? ? +41585 ATOM O OH . TYR Y 21 50 ? 22.299 43.256 -3.395 1.00 63.82 ? 55 TYR e OH 1 ? ? +41586 ATOM C C . TYR Y 21 50 ? 23.821 47.222 -9.964 1.00 67.26 ? 55 TYR e C 1 ? ? +41587 ATOM O O . TYR Y 21 50 ? 24.319 46.439 -10.764 1.00 67.00 ? 55 TYR e O 1 ? ? +41588 ATOM N N . TYR Y 21 51 ? 23.293 48.399 -10.313 1.00 69.03 ? 56 TYR e N 1 ? ? +41589 ATOM C CA . TYR Y 21 51 ? 23.204 48.849 -11.693 1.00 70.30 ? 56 TYR e CA 1 ? ? +41590 ATOM C CB . TYR Y 21 51 ? 21.758 48.894 -12.165 1.00 69.85 ? 56 TYR e CB 1 ? ? +41591 ATOM C CG . TYR Y 21 51 ? 21.087 47.562 -12.363 1.00 68.72 ? 56 TYR e CG 1 ? ? +41592 ATOM C CD1 . TYR Y 21 51 ? 21.431 46.742 -13.426 1.00 68.26 ? 56 TYR e CD1 1 ? ? +41593 ATOM C CD2 . TYR Y 21 51 ? 20.069 47.141 -11.515 1.00 68.20 ? 56 TYR e CD2 1 ? ? +41594 ATOM C CE1 . TYR Y 21 51 ? 20.793 45.526 -13.634 1.00 67.49 ? 56 TYR e CE1 1 ? ? +41595 ATOM C CE2 . TYR Y 21 51 ? 19.430 45.927 -11.706 1.00 67.32 ? 56 TYR e CE2 1 ? ? +41596 ATOM C CZ . TYR Y 21 51 ? 19.790 45.122 -12.769 1.00 67.01 ? 56 TYR e CZ 1 ? ? +41597 ATOM O OH . TYR Y 21 51 ? 19.148 43.925 -12.967 1.00 66.44 ? 56 TYR e OH 1 ? ? +41598 ATOM C C . TYR Y 21 51 ? 23.719 50.273 -11.844 1.00 72.87 ? 56 TYR e C 1 ? ? +41599 ATOM O O . TYR Y 21 51 ? 23.626 51.062 -10.907 1.00 73.72 ? 56 TYR e O 1 ? ? +41600 ATOM N N . ALA Y 21 52 ? 24.207 50.598 -13.047 1.00 75.03 ? 57 ALA e N 1 ? ? +41601 ATOM C CA . ALA Y 21 52 ? 24.388 51.986 -13.445 1.00 77.45 ? 57 ALA e CA 1 ? ? +41602 ATOM C CB . ALA Y 21 52 ? 25.294 52.093 -14.663 1.00 77.80 ? 57 ALA e CB 1 ? ? +41603 ATOM C C . ALA Y 21 52 ? 22.996 52.559 -13.708 1.00 78.89 ? 57 ALA e C 1 ? ? +41604 ATOM O O . ALA Y 21 52 ? 22.048 51.803 -13.913 1.00 78.58 ? 57 ALA e O 1 ? ? +41605 ATOM N N . GLN Y 21 53 ? 22.872 53.890 -13.694 1.00 81.33 ? 58 GLN e N 1 ? ? +41606 ATOM C CA . GLN Y 21 53 ? 21.572 54.542 -13.595 1.00 83.23 ? 58 GLN e CA 1 ? ? +41607 ATOM C CB . GLN Y 21 53 ? 21.751 56.068 -13.703 1.00 83.86 ? 58 GLN e CB 1 ? ? +41608 ATOM C CG . GLN Y 21 53 ? 20.491 56.891 -13.443 1.00 83.92 ? 58 GLN e CG 1 ? ? +41609 ATOM C CD . GLN Y 21 53 ? 19.770 56.520 -12.168 1.00 83.62 ? 58 GLN e CD 1 ? ? +41610 ATOM O OE1 . GLN Y 21 53 ? 20.378 56.252 -11.129 1.00 83.73 ? 58 GLN e OE1 1 ? ? +41611 ATOM N NE2 . GLN Y 21 53 ? 18.446 56.486 -12.218 1.00 83.51 ? 58 GLN e NE2 1 ? ? +41612 ATOM C C . GLN Y 21 53 ? 20.528 54.073 -14.612 1.00 84.99 ? 58 GLN e C 1 ? ? +41613 ATOM O O . GLN Y 21 53 ? 19.364 53.880 -14.253 1.00 84.95 ? 58 GLN e O 1 ? ? +41614 ATOM N N . GLU Y 21 54 ? 20.951 53.892 -15.872 1.00 87.59 ? 59 GLU e N 1 ? ? +41615 ATOM C CA . GLU Y 21 54 ? 20.029 53.618 -16.965 1.00 89.53 ? 59 GLU e CA 1 ? ? +41616 ATOM C CB . GLU Y 21 54 ? 20.186 54.681 -18.085 1.00 91.41 ? 59 GLU e CB 1 ? ? +41617 ATOM C CG . GLU Y 21 54 ? 19.833 56.113 -17.676 1.00 93.54 ? 59 GLU e CG 1 ? ? +41618 ATOM C CD . GLU Y 21 54 ? 18.401 56.364 -17.218 1.00 95.07 ? 59 GLU e CD 1 ? ? +41619 ATOM O OE1 . GLU Y 21 54 ? 17.567 55.432 -17.309 1.00 96.16 ? 59 GLU e OE1 1 ? ? +41620 ATOM O OE2 . GLU Y 21 54 ? 18.119 57.485 -16.733 1.00 96.34 ? 59 GLU e OE2 1 ? ? +41621 ATOM C C . GLU Y 21 54 ? 20.161 52.230 -17.590 1.00 90.80 ? 59 GLU e C 1 ? ? +41622 ATOM O O . GLU Y 21 54 ? 19.301 51.842 -18.376 1.00 92.62 ? 59 GLU e O 1 ? ? +41623 ATOM N N . GLN Y 21 55 ? 21.217 51.475 -17.249 1.00 92.30 ? 60 GLN e N 1 ? ? +41624 ATOM C CA . GLN Y 21 55 ? 21.370 50.119 -17.758 1.00 92.71 ? 60 GLN e CA 1 ? ? +41625 ATOM C CB . GLN Y 21 55 ? 22.813 49.599 -17.612 1.00 93.68 ? 60 GLN e CB 1 ? ? +41626 ATOM C CG . GLN Y 21 55 ? 23.220 49.244 -16.160 1.00 93.81 ? 60 GLN e CG 1 ? ? +41627 ATOM C CD . GLN Y 21 55 ? 24.391 48.294 -16.014 1.00 93.31 ? 60 GLN e CD 1 ? ? +41628 ATOM O OE1 . GLN Y 21 55 ? 24.879 48.064 -14.903 1.00 91.58 ? 60 GLN e OE1 1 ? ? +41629 ATOM N NE2 . GLN Y 21 55 ? 24.881 47.719 -17.095 1.00 94.65 ? 60 GLN e NE2 1 ? ? +41630 ATOM C C . GLN Y 21 55 ? 20.434 49.149 -17.043 1.00 92.80 ? 60 GLN e C 1 ? ? +41631 ATOM O O . GLN Y 21 55 ? 19.966 49.422 -15.939 1.00 93.05 ? 60 GLN e O 1 ? ? +41632 ATOM N N . ARG Y 21 56 ? 20.168 48.014 -17.697 1.00 94.23 ? 61 ARG e N 1 ? ? +41633 ATOM C CA . ARG Y 21 56 ? 19.485 46.892 -17.065 1.00 95.52 ? 61 ARG e CA 1 ? ? +41634 ATOM C CB . ARG Y 21 56 ? 17.984 46.838 -17.470 1.00 98.79 ? 61 ARG e CB 1 ? ? +41635 ATOM C CG . ARG Y 21 56 ? 17.162 48.047 -17.018 1.00 103.56 ? 61 ARG e CG 1 ? ? +41636 ATOM C CD . ARG Y 21 56 ? 15.763 48.106 -17.666 1.00 107.87 ? 61 ARG e CD 1 ? ? +41637 ATOM N NE . ARG Y 21 56 ? 15.187 49.452 -17.665 1.00 112.34 ? 61 ARG e NE 1 ? ? +41638 ATOM C CZ . ARG Y 21 56 ? 15.638 50.478 -18.389 1.00 116.77 ? 61 ARG e CZ 1 ? ? +41639 ATOM N NH1 . ARG Y 21 56 ? 16.526 50.309 -19.358 1.00 117.46 ? 61 ARG e NH1 1 ? ? +41640 ATOM N NH2 . ARG Y 21 56 ? 15.176 51.701 -18.140 1.00 117.35 ? 61 ARG e NH2 1 ? ? +41641 ATOM C C . ARG Y 21 56 ? 20.181 45.567 -17.382 1.00 90.51 ? 61 ARG e C 1 ? ? +41642 ATOM O O . ARG Y 21 56 ? 19.594 44.504 -17.218 1.00 90.36 ? 61 ARG e O 1 ? ? +41643 ATOM N N . SER Y 21 57 ? 21.444 45.642 -17.814 1.00 87.86 ? 62 SER e N 1 ? ? +41644 ATOM C CA . SER Y 21 57 ? 22.273 44.468 -18.034 1.00 85.61 ? 62 SER e CA 1 ? ? +41645 ATOM C CB . SER Y 21 57 ? 23.253 44.751 -19.166 1.00 86.07 ? 62 SER e CB 1 ? ? +41646 ATOM O OG . SER Y 21 57 ? 24.127 43.665 -19.398 1.00 86.18 ? 62 SER e OG 1 ? ? +41647 ATOM C C . SER Y 21 57 ? 23.012 44.103 -16.746 1.00 83.38 ? 62 SER e C 1 ? ? +41648 ATOM O O . SER Y 21 57 ? 23.499 44.980 -16.035 1.00 85.92 ? 62 SER e O 1 ? ? +41649 ATOM N N . ILE Y 21 58 ? 23.071 42.803 -16.436 1.00 78.85 ? 63 ILE e N 1 ? ? +41650 ATOM C CA . ILE Y 21 58 ? 23.709 42.332 -15.216 1.00 76.42 ? 63 ILE e CA 1 ? ? +41651 ATOM C CB . ILE Y 21 58 ? 23.144 40.966 -14.780 1.00 76.24 ? 63 ILE e CB 1 ? ? +41652 ATOM C CG1 . ILE Y 21 58 ? 21.677 41.056 -14.276 1.00 76.80 ? 63 ILE e CG1 1 ? ? +41653 ATOM C CG2 . ILE Y 21 58 ? 23.993 40.345 -13.696 1.00 76.15 ? 63 ILE e CG2 1 ? ? +41654 ATOM C CD1 . ILE Y 21 58 ? 20.782 42.075 -14.961 1.00 77.94 ? 63 ILE e CD1 1 ? ? +41655 ATOM C C . ILE Y 21 58 ? 25.202 42.270 -15.505 1.00 74.75 ? 63 ILE e C 1 ? ? +41656 ATOM O O . ILE Y 21 58 ? 25.574 41.844 -16.587 1.00 73.96 ? 63 ILE e O 1 ? ? +41657 ATOM N N . PRO Y 21 59 ? 26.089 42.715 -14.586 1.00 73.83 ? 64 PRO e N 1 ? ? +41658 ATOM C CA . PRO Y 21 59 ? 27.535 42.673 -14.822 1.00 73.50 ? 64 PRO e CA 1 ? ? +41659 ATOM C CB . PRO Y 21 59 ? 28.065 43.667 -13.795 1.00 74.45 ? 64 PRO e CB 1 ? ? +41660 ATOM C CG . PRO Y 21 59 ? 27.086 43.541 -12.637 1.00 74.04 ? 64 PRO e CG 1 ? ? +41661 ATOM C CD . PRO Y 21 59 ? 25.751 43.343 -13.296 1.00 73.85 ? 64 PRO e CD 1 ? ? +41662 ATOM C C . PRO Y 21 59 ? 28.088 41.272 -14.603 1.00 72.15 ? 64 PRO e C 1 ? ? +41663 ATOM O O . PRO Y 21 59 ? 28.767 41.013 -13.612 1.00 72.46 ? 64 PRO e O 1 ? ? +41664 ATOM N N . LEU Y 21 60 ? 27.788 40.375 -15.542 1.00 70.75 ? 65 LEU e N 1 ? ? +41665 ATOM C CA . LEU Y 21 60 ? 28.159 38.979 -15.398 1.00 69.97 ? 65 LEU e CA 1 ? ? +41666 ATOM C CB . LEU Y 21 60 ? 27.250 38.087 -16.237 1.00 69.11 ? 65 LEU e CB 1 ? ? +41667 ATOM C CG . LEU Y 21 60 ? 26.834 36.795 -15.576 1.00 68.51 ? 65 LEU e CG 1 ? ? +41668 ATOM C CD1 . LEU Y 21 60 ? 25.386 36.897 -15.141 1.00 68.46 ? 65 LEU e CD1 1 ? ? +41669 ATOM C CD2 . LEU Y 21 60 ? 27.050 35.591 -16.497 1.00 67.93 ? 65 LEU e CD2 1 ? ? +41670 ATOM C C . LEU Y 21 60 ? 29.608 38.763 -15.829 1.00 70.19 ? 65 LEU e C 1 ? ? +41671 ATOM O O . LEU Y 21 60 ? 30.039 39.261 -16.867 1.00 69.99 ? 65 LEU e O 1 ? ? +41672 ATOM N N . VAL Y 21 61 ? 30.347 38.010 -15.011 1.00 70.44 ? 66 VAL e N 1 ? ? +41673 ATOM C CA . VAL Y 21 61 ? 31.685 37.564 -15.354 1.00 71.22 ? 66 VAL e CA 1 ? ? +41674 ATOM C CB . VAL Y 21 61 ? 32.358 37.005 -14.088 1.00 71.23 ? 66 VAL e CB 1 ? ? +41675 ATOM C CG1 . VAL Y 21 61 ? 33.600 36.203 -14.421 1.00 71.61 ? 66 VAL e CG1 1 ? ? +41676 ATOM C CG2 . VAL Y 21 61 ? 32.681 38.132 -13.120 1.00 71.94 ? 66 VAL e CG2 1 ? ? +41677 ATOM C C . VAL Y 21 61 ? 31.621 36.535 -16.481 1.00 70.89 ? 66 VAL e C 1 ? ? +41678 ATOM O O . VAL Y 21 61 ? 30.895 35.549 -16.367 1.00 70.66 ? 66 VAL e O 1 ? ? +41679 ATOM N N . THR Y 21 62 ? 32.380 36.769 -17.563 1.00 71.32 ? 67 THR e N 1 ? ? +41680 ATOM C CA . THR Y 21 62 ? 32.329 35.901 -18.732 1.00 70.68 ? 67 THR e CA 1 ? ? +41681 ATOM C CB . THR Y 21 62 ? 31.719 36.636 -19.931 1.00 70.62 ? 67 THR e CB 1 ? ? +41682 ATOM O OG1 . THR Y 21 62 ? 32.637 37.651 -20.349 1.00 71.20 ? 67 THR e OG1 1 ? ? +41683 ATOM C CG2 . THR Y 21 62 ? 30.349 37.225 -19.617 1.00 70.36 ? 67 THR e CG2 1 ? ? +41684 ATOM C C . THR Y 21 62 ? 33.676 35.339 -19.176 1.00 71.09 ? 67 THR e C 1 ? ? +41685 ATOM O O . THR Y 21 62 ? 33.738 34.603 -20.157 1.00 70.85 ? 67 THR e O 1 ? ? +41686 ATOM N N . ASP Y 21 63 ? 34.744 35.682 -18.453 1.00 72.11 ? 68 ASP e N 1 ? ? +41687 ATOM C CA . ASP Y 21 63 ? 36.064 35.166 -18.757 1.00 72.73 ? 68 ASP e CA 1 ? ? +41688 ATOM C CB . ASP Y 21 63 ? 36.919 36.256 -19.375 1.00 75.08 ? 68 ASP e CB 1 ? ? +41689 ATOM C CG . ASP Y 21 63 ? 38.184 35.684 -19.917 1.00 76.73 ? 68 ASP e CG 1 ? ? +41690 ATOM O OD2 . ASP Y 21 63 ? 39.178 35.636 -19.170 1.00 77.72 ? 68 ASP e OD2 1 ? ? +41691 ATOM O OD1 . ASP Y 21 63 ? 38.166 35.223 -21.077 1.00 78.24 ? 68 ASP e OD1 1 ? ? +41692 ATOM C C . ASP Y 21 63 ? 36.719 34.634 -17.490 1.00 71.79 ? 68 ASP e C 1 ? ? +41693 ATOM O O . ASP Y 21 63 ? 36.611 35.251 -16.441 1.00 72.22 ? 68 ASP e O 1 ? ? +41694 ATOM N N . ARG Y 21 64 ? 37.414 33.500 -17.607 1.00 70.63 ? 69 ARG e N 1 ? ? +41695 ATOM C CA . ARG Y 21 64 ? 38.035 32.859 -16.461 1.00 69.67 ? 69 ARG e CA 1 ? ? +41696 ATOM C CB . ARG Y 21 64 ? 38.498 31.438 -16.824 1.00 68.18 ? 69 ARG e CB 1 ? ? +41697 ATOM C CG . ARG Y 21 64 ? 39.140 30.724 -15.657 1.00 67.38 ? 69 ARG e CG 1 ? ? +41698 ATOM C CD . ARG Y 21 64 ? 39.298 29.252 -15.901 1.00 66.07 ? 69 ARG e CD 1 ? ? +41699 ATOM N NE . ARG Y 21 64 ? 40.042 28.629 -14.813 1.00 65.70 ? 69 ARG e NE 1 ? ? +41700 ATOM C CZ . ARG Y 21 64 ? 40.452 27.369 -14.801 1.00 64.71 ? 69 ARG e CZ 1 ? ? +41701 ATOM N NH1 . ARG Y 21 64 ? 40.151 26.538 -15.783 1.00 63.93 ? 69 ARG e NH1 1 ? ? +41702 ATOM N NH2 . ARG Y 21 64 ? 41.202 26.939 -13.790 1.00 64.74 ? 69 ARG e NH2 1 ? ? +41703 ATOM C C . ARG Y 21 64 ? 39.201 33.673 -15.902 1.00 70.65 ? 69 ARG e C 1 ? ? +41704 ATOM O O . ARG Y 21 64 ? 39.187 34.040 -14.733 1.00 70.81 ? 69 ARG e O 1 ? ? +41705 ATOM N N . PHE Y 21 65 ? 40.199 33.958 -16.743 1.00 71.88 ? 70 PHE e N 1 ? ? +41706 ATOM C CA . PHE Y 21 65 ? 41.457 34.530 -16.277 1.00 73.56 ? 70 PHE e CA 1 ? ? +41707 ATOM C CB . PHE Y 21 65 ? 42.614 34.023 -17.134 1.00 73.14 ? 70 PHE e CB 1 ? ? +41708 ATOM C CG . PHE Y 21 65 ? 42.637 32.522 -17.180 1.00 72.44 ? 70 PHE e CG 1 ? ? +41709 ATOM C CD1 . PHE Y 21 65 ? 42.964 31.784 -16.057 1.00 72.37 ? 70 PHE e CD1 1 ? ? +41710 ATOM C CD2 . PHE Y 21 65 ? 42.265 31.843 -18.326 1.00 72.04 ? 70 PHE e CD2 1 ? ? +41711 ATOM C CE1 . PHE Y 21 65 ? 42.959 30.396 -16.095 1.00 71.75 ? 70 PHE e CE1 1 ? ? +41712 ATOM C CE2 . PHE Y 21 65 ? 42.249 30.457 -18.357 1.00 71.38 ? 70 PHE e CE2 1 ? ? +41713 ATOM C CZ . PHE Y 21 65 ? 42.601 29.741 -17.245 1.00 71.26 ? 70 PHE e CZ 1 ? ? +41714 ATOM C C . PHE Y 21 65 ? 41.461 36.057 -16.236 1.00 75.94 ? 70 PHE e C 1 ? ? +41715 ATOM O O . PHE Y 21 65 ? 42.304 36.641 -15.573 1.00 77.08 ? 70 PHE e O 1 ? ? +41716 ATOM N N . GLU Y 21 66 ? 40.501 36.695 -16.915 1.00 78.19 ? 71 GLU e N 1 ? ? +41717 ATOM C CA . GLU Y 21 66 ? 40.336 38.144 -16.880 1.00 80.47 ? 71 GLU e CA 1 ? ? +41718 ATOM C CB . GLU Y 21 66 ? 40.114 38.698 -18.308 1.00 82.94 ? 71 GLU e CB 1 ? ? +41719 ATOM C CG . GLU Y 21 66 ? 41.119 38.238 -19.352 1.00 84.70 ? 71 GLU e CG 1 ? ? +41720 ATOM C CD . GLU Y 21 66 ? 42.511 38.781 -19.133 1.00 87.28 ? 71 GLU e CD 1 ? ? +41721 ATOM O OE1 . GLU Y 21 66 ? 42.626 39.986 -18.798 1.00 89.38 ? 71 GLU e OE1 1 ? ? +41722 ATOM O OE2 . GLU Y 21 66 ? 43.489 38.020 -19.331 1.00 88.76 ? 71 GLU e OE2 1 ? ? +41723 ATOM C C . GLU Y 21 66 ? 39.145 38.578 -16.022 1.00 79.53 ? 71 GLU e C 1 ? ? +41724 ATOM O O . GLU Y 21 66 ? 38.723 39.733 -16.089 1.00 79.14 ? 71 GLU e O 1 ? ? +41725 ATOM N N . ALA Y 21 67 ? 38.599 37.645 -15.229 1.00 78.25 ? 72 ALA e N 1 ? ? +41726 ATOM C CA . ALA Y 21 67 ? 37.419 37.910 -14.420 1.00 77.52 ? 72 ALA e CA 1 ? ? +41727 ATOM C CB . ALA Y 21 67 ? 36.990 36.651 -13.686 1.00 76.70 ? 72 ALA e CB 1 ? ? +41728 ATOM C C . ALA Y 21 67 ? 37.653 39.026 -13.410 1.00 78.01 ? 72 ALA e C 1 ? ? +41729 ATOM O O . ALA Y 21 67 ? 36.760 39.835 -13.167 1.00 78.24 ? 72 ALA e O 1 ? ? +41730 ATOM N N . LYS Y 21 68 ? 38.850 39.040 -12.811 1.00 77.91 ? 73 LYS e N 1 ? ? +41731 ATOM C CA . LYS Y 21 68 ? 39.209 40.051 -11.836 1.00 78.59 ? 73 LYS e CA 1 ? ? +41732 ATOM C CB . LYS Y 21 68 ? 40.632 39.799 -11.322 1.00 79.56 ? 73 LYS e CB 1 ? ? +41733 ATOM C CG . LYS Y 21 68 ? 41.067 40.715 -10.202 1.00 80.69 ? 73 LYS e CG 1 ? ? +41734 ATOM C CD . LYS Y 21 68 ? 42.524 40.501 -9.828 1.00 81.95 ? 73 LYS e CD 1 ? ? +41735 ATOM C CE . LYS Y 21 68 ? 42.942 41.286 -8.591 1.00 83.41 ? 73 LYS e CE 1 ? ? +41736 ATOM N NZ . LYS Y 21 68 ? 42.675 42.741 -8.700 1.00 84.56 ? 73 LYS e NZ 1 ? ? +41737 ATOM C C . LYS Y 21 68 ? 39.098 41.435 -12.468 1.00 79.53 ? 73 LYS e C 1 ? ? +41738 ATOM O O . LYS Y 21 68 ? 38.525 42.344 -11.876 1.00 79.34 ? 73 LYS e O 1 ? ? +41739 ATOM N N . GLN Y 21 69 ? 39.646 41.581 -13.681 1.00 80.68 ? 74 GLN e N 1 ? ? +41740 ATOM C CA . GLN Y 21 69 ? 39.629 42.847 -14.394 1.00 81.93 ? 74 GLN e CA 1 ? ? +41741 ATOM C CB . GLN Y 21 69 ? 40.578 42.773 -15.596 1.00 84.59 ? 74 GLN e CB 1 ? ? +41742 ATOM C CG . GLN Y 21 69 ? 40.744 44.085 -16.321 1.00 87.77 ? 74 GLN e CG 1 ? ? +41743 ATOM C CD . GLN Y 21 69 ? 41.793 43.987 -17.398 1.00 90.94 ? 74 GLN e CD 1 ? ? +41744 ATOM O OE1 . GLN Y 21 69 ? 43.013 43.946 -17.126 1.00 93.15 ? 74 GLN e OE1 1 ? ? +41745 ATOM N NE2 . GLN Y 21 69 ? 41.342 43.961 -18.657 1.00 91.53 ? 74 GLN e NE2 1 ? ? +41746 ATOM C C . GLN Y 21 69 ? 38.218 43.231 -14.834 1.00 79.69 ? 74 GLN e C 1 ? ? +41747 ATOM O O . GLN Y 21 69 ? 37.841 44.394 -14.759 1.00 79.79 ? 74 GLN e O 1 ? ? +41748 ATOM N N . GLN Y 21 70 ? 37.437 42.250 -15.299 1.00 77.86 ? 75 GLN e N 1 ? ? +41749 ATOM C CA . GLN Y 21 70 ? 36.048 42.497 -15.651 1.00 76.31 ? 75 GLN e CA 1 ? ? +41750 ATOM C CB . GLN Y 21 70 ? 35.354 41.213 -16.073 1.00 75.43 ? 75 GLN e CB 1 ? ? +41751 ATOM C CG . GLN Y 21 70 ? 35.480 40.927 -17.544 1.00 75.39 ? 75 GLN e CG 1 ? ? +41752 ATOM C CD . GLN Y 21 70 ? 34.674 39.721 -17.941 1.00 74.68 ? 75 GLN e CD 1 ? ? +41753 ATOM O OE1 . GLN Y 21 70 ? 33.971 39.096 -17.137 1.00 74.34 ? 75 GLN e OE1 1 ? ? +41754 ATOM N NE2 . GLN Y 21 70 ? 34.747 39.376 -19.205 1.00 74.95 ? 75 GLN e NE2 1 ? ? +41755 ATOM C C . GLN Y 21 70 ? 35.253 43.134 -14.516 1.00 75.77 ? 75 GLN e C 1 ? ? +41756 ATOM O O . GLN Y 21 70 ? 34.505 44.077 -14.753 1.00 76.01 ? 75 GLN e O 1 ? ? +41757 ATOM N N . VAL Y 21 71 ? 35.409 42.610 -13.295 1.00 75.33 ? 76 VAL e N 1 ? ? +41758 ATOM C CA . VAL Y 21 71 ? 34.676 43.127 -12.149 1.00 75.81 ? 76 VAL e CA 1 ? ? +41759 ATOM C CB . VAL Y 21 71 ? 34.845 42.254 -10.882 1.00 75.25 ? 76 VAL e CB 1 ? ? +41760 ATOM C CG1 . VAL Y 21 71 ? 34.128 42.868 -9.681 1.00 75.46 ? 76 VAL e CG1 1 ? ? +41761 ATOM C CG2 . VAL Y 21 71 ? 34.359 40.840 -11.120 1.00 74.45 ? 76 VAL e CG2 1 ? ? +41762 ATOM C C . VAL Y 21 71 ? 35.092 44.568 -11.869 1.00 77.74 ? 76 VAL e C 1 ? ? +41763 ATOM O O . VAL Y 21 71 ? 34.245 45.416 -11.585 1.00 78.45 ? 76 VAL e O 1 ? ? +41764 ATOM N N . GLU Y 21 72 ? 36.401 44.836 -11.944 1.00 79.48 ? 77 GLU e N 1 ? ? +41765 ATOM C CA . GLU Y 21 72 ? 36.915 46.177 -11.740 1.00 81.14 ? 77 GLU e CA 1 ? ? +41766 ATOM C CB . GLU Y 21 72 ? 38.453 46.166 -11.766 1.00 82.87 ? 77 GLU e CB 1 ? ? +41767 ATOM C CG . GLU Y 21 72 ? 39.001 45.365 -10.606 1.00 83.54 ? 77 GLU e CG 1 ? ? +41768 ATOM C CD . GLU Y 21 72 ? 40.480 45.061 -10.607 1.00 85.37 ? 77 GLU e CD 1 ? ? +41769 ATOM O OE1 . GLU Y 21 72 ? 41.230 45.672 -11.405 1.00 88.01 ? 77 GLU e OE1 1 ? ? +41770 ATOM O OE2 . GLU Y 21 72 ? 40.884 44.186 -9.808 1.00 85.05 ? 77 GLU e OE2 1 ? ? +41771 ATOM C C . GLU Y 21 72 ? 36.344 47.124 -12.790 1.00 81.17 ? 77 GLU e C 1 ? ? +41772 ATOM O O . GLU Y 21 72 ? 35.977 48.247 -12.468 1.00 81.34 ? 77 GLU e O 1 ? ? +41773 ATOM N N . THR Y 21 73 ? 36.267 46.651 -14.039 1.00 81.15 ? 78 THR e N 1 ? ? +41774 ATOM C CA . THR Y 21 73 ? 35.697 47.425 -15.129 1.00 81.74 ? 78 THR e CA 1 ? ? +41775 ATOM C CB . THR Y 21 73 ? 35.777 46.673 -16.455 1.00 81.29 ? 78 THR e CB 1 ? ? +41776 ATOM O OG1 . THR Y 21 73 ? 37.106 46.198 -16.638 1.00 81.97 ? 78 THR e OG1 1 ? ? +41777 ATOM C CG2 . THR Y 21 73 ? 35.368 47.543 -17.640 1.00 81.45 ? 78 THR e CG2 1 ? ? +41778 ATOM C C . THR Y 21 73 ? 34.246 47.808 -14.848 1.00 81.80 ? 78 THR e C 1 ? ? +41779 ATOM O O . THR Y 21 73 ? 33.873 48.965 -15.032 1.00 82.61 ? 78 THR e O 1 ? ? +41780 ATOM N N A PHE Y 21 74 ? 33.447 46.824 -14.418 0.50 80.99 ? 79 PHE e N 1 ? ? +41781 ATOM N N B PHE Y 21 74 ? 33.421 46.846 -14.413 0.50 81.11 ? 79 PHE e N 1 ? ? +41782 ATOM C CA A PHE Y 21 74 ? 32.055 47.065 -14.072 0.50 80.58 ? 79 PHE e CA 1 ? ? +41783 ATOM C CA B PHE Y 21 74 ? 32.036 47.155 -14.087 0.50 80.81 ? 79 PHE e CA 1 ? ? +41784 ATOM C C A PHE Y 21 74 ? 31.945 48.125 -12.973 0.50 82.46 ? 79 PHE e C 1 ? ? +41785 ATOM C C B PHE Y 21 74 ? 31.937 48.173 -12.959 0.50 82.61 ? 79 PHE e C 1 ? ? +41786 ATOM O O A PHE Y 21 74 ? 31.155 49.057 -13.087 0.50 83.18 ? 79 PHE e O 1 ? ? +41787 ATOM O O B PHE Y 21 74 ? 31.108 49.078 -13.016 0.50 83.29 ? 79 PHE e O 1 ? ? +41788 ATOM C CB A PHE Y 21 74 ? 31.346 45.756 -13.652 0.50 78.84 ? 79 PHE e CB 1 ? ? +41789 ATOM C CB B PHE Y 21 74 ? 31.214 45.958 -13.630 0.50 79.21 ? 79 PHE e CB 1 ? ? +41790 ATOM C CG A PHE Y 21 74 ? 31.190 44.694 -14.735 0.50 77.19 ? 79 PHE e CG 1 ? ? +41791 ATOM C CG B PHE Y 21 74 ? 29.913 46.431 -13.008 0.50 78.29 ? 79 PHE e CG 1 ? ? +41792 ATOM C CD1 A PHE Y 21 74 ? 30.787 45.036 -16.016 0.50 76.82 ? 79 PHE e CD1 1 ? ? +41793 ATOM C CD1 B PHE Y 21 74 ? 29.660 46.247 -11.659 0.50 77.59 ? 79 PHE e CD1 1 ? ? +41794 ATOM C CD2 A PHE Y 21 74 ? 31.414 43.353 -14.455 0.50 75.81 ? 79 PHE e CD2 1 ? ? +41795 ATOM C CD2 B PHE Y 21 74 ? 28.961 47.094 -13.768 0.50 77.84 ? 79 PHE e CD2 1 ? ? +41796 ATOM C CE1 A PHE Y 21 74 ? 30.635 44.060 -16.999 0.50 75.85 ? 79 PHE e CE1 1 ? ? +41797 ATOM C CE1 B PHE Y 21 74 ? 28.473 46.693 -11.091 0.50 77.14 ? 79 PHE e CE1 1 ? ? +41798 ATOM C CE2 A PHE Y 21 74 ? 31.255 42.382 -15.438 0.50 74.89 ? 79 PHE e CE2 1 ? ? +41799 ATOM C CE2 B PHE Y 21 74 ? 27.779 47.538 -13.194 0.50 77.31 ? 79 PHE e CE2 1 ? ? +41800 ATOM C CZ A PHE Y 21 74 ? 30.865 42.740 -16.702 0.50 74.93 ? 79 PHE e CZ 1 ? ? +41801 ATOM C CZ B PHE Y 21 74 ? 27.541 47.334 -11.861 0.50 77.08 ? 79 PHE e CZ 1 ? ? +41802 ATOM N N . LEU Y 21 75 ? 32.769 47.996 -11.927 1.00 83.90 ? 80 LEU e N 1 ? ? +41803 ATOM C CA . LEU Y 21 75 ? 32.742 48.903 -10.788 1.00 85.83 ? 80 LEU e CA 1 ? ? +41804 ATOM C CB . LEU Y 21 75 ? 33.627 48.359 -9.647 1.00 86.00 ? 80 LEU e CB 1 ? ? +41805 ATOM C CG . LEU Y 21 75 ? 33.067 47.140 -8.880 1.00 85.23 ? 80 LEU e CG 1 ? ? +41806 ATOM C CD1 . LEU Y 21 75 ? 33.918 46.812 -7.669 1.00 85.75 ? 80 LEU e CD1 1 ? ? +41807 ATOM C CD2 . LEU Y 21 75 ? 31.613 47.359 -8.419 1.00 84.65 ? 80 LEU e CD2 1 ? ? +41808 ATOM C C . LEU Y 21 75 ? 33.146 50.332 -11.158 1.00 89.23 ? 80 LEU e C 1 ? ? +41809 ATOM O O . LEU Y 21 75 ? 32.620 51.274 -10.575 1.00 89.72 ? 80 LEU e O 1 ? ? +41810 ATOM N N . GLU Y 21 76 ? 34.071 50.492 -12.118 1.00 93.06 ? 81 GLU e N 1 ? ? +41811 ATOM C CA . GLU Y 21 76 ? 34.394 51.797 -12.684 1.00 97.16 ? 81 GLU e CA 1 ? ? +41812 ATOM C CB . GLU Y 21 76 ? 35.436 51.724 -13.836 1.00 100.30 ? 81 GLU e CB 1 ? ? +41813 ATOM C CG . GLU Y 21 76 ? 36.839 51.286 -13.463 1.00 102.61 ? 81 GLU e CG 1 ? ? +41814 ATOM C CD . GLU Y 21 76 ? 37.519 52.186 -12.458 1.00 107.58 ? 81 GLU e CD 1 ? ? +41815 ATOM O OE1 . GLU Y 21 76 ? 37.509 53.423 -12.663 1.00 110.98 ? 81 GLU e OE1 1 ? ? +41816 ATOM O OE2 . GLU Y 21 76 ? 38.075 51.655 -11.469 1.00 111.23 ? 81 GLU e OE2 1 ? ? +41817 ATOM C C . GLU Y 21 76 ? 33.150 52.458 -13.265 1.00 98.21 ? 81 GLU e C 1 ? ? +41818 ATOM O O . GLU Y 21 76 ? 32.915 53.639 -13.037 1.00 98.21 ? 81 GLU e O 1 ? ? +41819 ATOM N N . GLN Y 21 77 ? 32.360 51.680 -14.016 1.00 100.75 ? 82 GLN e N 1 ? ? +41820 ATOM C CA . GLN Y 21 77 ? 31.207 52.199 -14.739 1.00 103.22 ? 82 GLN e CA 1 ? ? +41821 ATOM C CB . GLN Y 21 77 ? 30.718 51.157 -15.763 1.00 103.17 ? 82 GLN e CB 1 ? ? +41822 ATOM C CG . GLN Y 21 77 ? 31.689 50.930 -16.919 1.00 105.06 ? 82 GLN e CG 1 ? ? +41823 ATOM C CD . GLN Y 21 77 ? 31.142 49.930 -17.912 1.00 105.01 ? 82 GLN e CD 1 ? ? +41824 ATOM O OE1 . GLN Y 21 77 ? 30.189 49.195 -17.619 1.00 102.32 ? 82 GLN e OE1 1 ? ? +41825 ATOM N NE2 . GLN Y 21 77 ? 31.739 49.875 -19.108 1.00 105.69 ? 82 GLN e NE2 1 ? ? +41826 ATOM C C . GLN Y 21 77 ? 30.035 52.609 -13.845 1.00 105.07 ? 82 GLN e C 1 ? ? +41827 ATOM O O . GLN Y 21 77 ? 28.929 52.830 -14.336 1.00 108.18 ? 82 GLN e O 1 ? ? +41828 ATOM N N . LEU Y 21 78 ? 30.278 52.692 -12.531 1.00 105.75 ? 83 LEU e N 1 ? ? +41829 ATOM C CA . LEU Y 21 78 ? 29.342 53.303 -11.602 1.00 106.87 ? 83 LEU e CA 1 ? ? +41830 ATOM C CB . LEU Y 21 78 ? 29.375 52.557 -10.251 1.00 104.30 ? 83 LEU e CB 1 ? ? +41831 ATOM C CG . LEU Y 21 78 ? 28.879 51.096 -10.255 1.00 100.29 ? 83 LEU e CG 1 ? ? +41832 ATOM C CD1 . LEU Y 21 78 ? 28.742 50.578 -8.855 1.00 99.17 ? 83 LEU e CD1 1 ? ? +41833 ATOM C CD2 . LEU Y 21 78 ? 27.539 50.940 -10.978 1.00 98.33 ? 83 LEU e CD2 1 ? ? +41834 ATOM C C . LEU Y 21 78 ? 29.661 54.783 -11.397 1.00 111.76 ? 83 LEU e C 1 ? ? +41835 ATOM O O . LEU Y 21 78 ? 28.955 55.464 -10.655 1.00 111.93 ? 83 LEU e O 1 ? ? +41836 ATOM N N . LYS Y 21 79 ? 30.747 55.258 -12.030 1.00 117.30 ? 84 LYS e N 1 ? ? +41837 ATOM C CA . LYS Y 21 79 ? 31.065 56.676 -12.139 1.00 120.06 ? 84 LYS e CA 1 ? ? +41838 ATOM C CB . LYS Y 21 79 ? 30.162 57.328 -13.211 1.00 122.17 ? 84 LYS e CB 1 ? ? +41839 ATOM C CG . LYS Y 21 79 ? 30.474 56.882 -14.647 1.00 124.27 ? 84 LYS e CG 1 ? ? +41840 ATOM C CD . LYS Y 21 79 ? 29.203 56.499 -15.444 1.00 125.08 ? 84 LYS e CD 1 ? ? +41841 ATOM C CE . LYS Y 21 79 ? 29.426 56.363 -16.938 1.00 126.11 ? 84 LYS e CE 1 ? ? +41842 ATOM N NZ . LYS Y 21 79 ? 30.384 55.273 -17.275 1.00 126.64 ? 84 LYS e NZ 1 ? ? +41843 ATOM C C . LYS Y 21 79 ? 30.939 57.398 -10.791 1.00 120.85 ? 84 LYS e C 1 ? ? +41844 ATOM O O . LYS Y 21 79 ? 31.375 56.864 -9.775 1.00 120.35 ? 84 LYS e O 1 ? ? +41845 ATOM O OXT . LYS Y 21 79 ? 30.409 58.507 -10.716 1.00 121.44 ? 84 LYS e OXT 1 ? ? +41846 ATOM N N . ILE Z 22 1 ? 45.030 28.829 32.541 1.00 104.71 ? 15 ILE f N 1 ? ? +41847 ATOM C CA . ILE Z 22 1 ? 45.296 28.271 31.217 1.00 103.60 ? 15 ILE f CA 1 ? ? +41848 ATOM C CB . ILE Z 22 1 ? 46.572 27.348 31.267 1.00 105.26 ? 15 ILE f CB 1 ? ? +41849 ATOM C CG1 . ILE Z 22 1 ? 47.520 27.609 30.061 1.00 105.74 ? 15 ILE f CG1 1 ? ? +41850 ATOM C CG2 . ILE Z 22 1 ? 46.220 25.852 31.425 1.00 104.28 ? 15 ILE f CG2 1 ? ? +41851 ATOM C CD1 . ILE Z 22 1 ? 48.293 28.971 30.087 1.00 106.10 ? 15 ILE f CD1 1 ? ? +41852 ATOM C C . ILE Z 22 1 ? 44.003 27.595 30.753 1.00 100.86 ? 15 ILE f C 1 ? ? +41853 ATOM O O . ILE Z 22 1 ? 43.265 27.046 31.569 1.00 100.92 ? 15 ILE f O 1 ? ? +41854 ATOM N N A PHE Z 22 2 ? 43.739 27.654 29.443 0.50 98.97 ? 16 PHE f N 1 ? ? +41855 ATOM N N B PHE Z 22 2 ? 43.737 27.669 29.440 0.50 99.33 ? 16 PHE f N 1 ? ? +41856 ATOM C CA A PHE Z 22 2 ? 42.456 27.248 28.889 0.50 96.92 ? 16 PHE f CA 1 ? ? +41857 ATOM C CA B PHE Z 22 2 ? 42.468 27.252 28.859 0.50 97.49 ? 16 PHE f CA 1 ? ? +41858 ATOM C C A PHE Z 22 2 ? 42.468 25.822 28.338 0.50 95.05 ? 16 PHE f C 1 ? ? +41859 ATOM C C B PHE Z 22 2 ? 42.482 25.806 28.365 0.50 95.37 ? 16 PHE f C 1 ? ? +41860 ATOM O O A PHE Z 22 2 ? 43.470 25.373 27.785 0.50 94.93 ? 16 PHE f O 1 ? ? +41861 ATOM O O B PHE Z 22 2 ? 43.517 25.310 27.925 0.50 95.30 ? 16 PHE f O 1 ? ? +41862 ATOM C CB A PHE Z 22 2 ? 42.027 28.260 27.810 0.50 96.35 ? 16 PHE f CB 1 ? ? +41863 ATOM C CB B PHE Z 22 2 ? 42.083 28.209 27.708 0.50 97.32 ? 16 PHE f CB 1 ? ? +41864 ATOM C CG A PHE Z 22 2 ? 41.844 29.659 28.362 0.50 96.70 ? 16 PHE f CG 1 ? ? +41865 ATOM C CG B PHE Z 22 2 ? 43.243 28.755 26.902 0.50 97.95 ? 16 PHE f CG 1 ? ? +41866 ATOM C CD1 A PHE Z 22 2 ? 41.192 29.865 29.567 0.50 96.73 ? 16 PHE f CD1 1 ? ? +41867 ATOM C CD1 B PHE Z 22 2 ? 43.584 30.097 26.969 0.50 98.66 ? 16 PHE f CD1 1 ? ? +41868 ATOM C CD2 A PHE Z 22 2 ? 42.315 30.764 27.672 0.50 96.86 ? 16 PHE f CD2 1 ? ? +41869 ATOM C CD2 B PHE Z 22 2 ? 43.982 27.932 26.072 0.50 97.47 ? 16 PHE f CD2 1 ? ? +41870 ATOM C CE1 A PHE Z 22 2 ? 41.021 31.148 30.072 0.50 97.26 ? 16 PHE f CE1 1 ? ? +41871 ATOM C CE1 B PHE Z 22 2 ? 44.647 30.597 26.231 0.50 98.72 ? 16 PHE f CE1 1 ? ? +41872 ATOM C CE2 A PHE Z 22 2 ? 42.147 32.045 28.182 0.50 97.29 ? 16 PHE f CE2 1 ? ? +41873 ATOM C CE2 B PHE Z 22 2 ? 45.041 28.437 25.334 0.50 97.63 ? 16 PHE f CE2 1 ? ? +41874 ATOM C CZ A PHE Z 22 2 ? 41.503 32.229 29.380 0.50 97.57 ? 16 PHE f CZ 1 ? ? +41875 ATOM C CZ B PHE Z 22 2 ? 45.366 29.764 25.417 0.50 98.45 ? 16 PHE f CZ 1 ? ? +41876 ATOM N N . THR Z 22 3 ? 41.315 25.148 28.446 1.00 93.18 ? 17 THR f N 1 ? ? +41877 ATOM C CA . THR Z 22 3 ? 41.171 23.745 28.073 1.00 91.23 ? 17 THR f CA 1 ? ? +41878 ATOM C CB . THR Z 22 3 ? 40.189 23.019 29.019 1.00 90.91 ? 17 THR f CB 1 ? ? +41879 ATOM O OG1 . THR Z 22 3 ? 38.817 23.419 28.783 1.00 91.01 ? 17 THR f OG1 1 ? ? +41880 ATOM C CG2 . THR Z 22 3 ? 40.539 23.252 30.478 1.00 91.91 ? 17 THR f CG2 1 ? ? +41881 ATOM C C . THR Z 22 3 ? 40.718 23.600 26.624 1.00 88.55 ? 17 THR f C 1 ? ? +41882 ATOM O O . THR Z 22 3 ? 40.386 24.596 26.001 1.00 88.24 ? 17 THR f O 1 ? ? +41883 ATOM N N . VAL Z 22 4 ? 40.728 22.368 26.104 1.00 86.48 ? 18 VAL f N 1 ? ? +41884 ATOM C CA . VAL Z 22 4 ? 40.216 22.095 24.771 1.00 85.55 ? 18 VAL f CA 1 ? ? +41885 ATOM C CB . VAL Z 22 4 ? 40.517 20.635 24.350 1.00 85.02 ? 18 VAL f CB 1 ? ? +41886 ATOM C CG1 . VAL Z 22 4 ? 39.681 20.197 23.141 1.00 83.93 ? 18 VAL f CG1 1 ? ? +41887 ATOM C CG2 . VAL Z 22 4 ? 41.999 20.457 24.075 1.00 85.19 ? 18 VAL f CG2 1 ? ? +41888 ATOM C C . VAL Z 22 4 ? 38.722 22.412 24.676 1.00 84.50 ? 18 VAL f C 1 ? ? +41889 ATOM O O . VAL Z 22 4 ? 38.263 22.918 23.654 1.00 82.76 ? 18 VAL f O 1 ? ? +41890 ATOM N N . ARG Z 22 5 ? 37.972 22.112 25.744 1.00 84.56 ? 19 ARG f N 1 ? ? +41891 ATOM C CA . ARG Z 22 5 ? 36.565 22.468 25.800 1.00 84.82 ? 19 ARG f CA 1 ? ? +41892 ATOM C CB . ARG Z 22 5 ? 35.906 21.973 27.092 1.00 87.13 ? 19 ARG f CB 1 ? ? +41893 ATOM C CG . ARG Z 22 5 ? 34.395 22.291 27.147 1.00 87.53 ? 19 ARG f CG 1 ? ? +41894 ATOM C CD . ARG Z 22 5 ? 33.633 21.361 28.060 1.00 89.00 ? 19 ARG f CD 1 ? ? +41895 ATOM N NE . ARG Z 22 5 ? 33.935 21.550 29.476 1.00 91.76 ? 19 ARG f NE 1 ? ? +41896 ATOM C CZ . ARG Z 22 5 ? 33.299 22.388 30.284 1.00 94.69 ? 19 ARG f CZ 1 ? ? +41897 ATOM N NH1 . ARG Z 22 5 ? 32.416 23.256 29.826 1.00 97.15 ? 19 ARG f NH1 1 ? ? +41898 ATOM N NH2 . ARG Z 22 5 ? 33.553 22.353 31.588 1.00 95.15 ? 19 ARG f NH2 1 ? ? +41899 ATOM C C . ARG Z 22 5 ? 36.368 23.978 25.706 1.00 83.79 ? 19 ARG f C 1 ? ? +41900 ATOM O O . ARG Z 22 5 ? 35.457 24.453 25.022 1.00 83.05 ? 19 ARG f O 1 ? ? +41901 ATOM N N . TRP Z 22 6 ? 37.223 24.718 26.420 1.00 83.61 ? 20 TRP f N 1 ? ? +41902 ATOM C CA . TRP Z 22 6 ? 37.188 26.169 26.380 1.00 83.10 ? 20 TRP f CA 1 ? ? +41903 ATOM C CB . TRP Z 22 6 ? 38.291 26.761 27.272 1.00 84.05 ? 20 TRP f CB 1 ? ? +41904 ATOM C CG . TRP Z 22 6 ? 38.194 28.244 27.434 1.00 84.67 ? 20 TRP f CG 1 ? ? +41905 ATOM C CD1 . TRP Z 22 6 ? 37.674 28.912 28.497 1.00 85.42 ? 20 TRP f CD1 1 ? ? +41906 ATOM N NE1 . TRP Z 22 6 ? 37.771 30.265 28.296 1.00 85.96 ? 20 TRP f NE1 1 ? ? +41907 ATOM C CE2 . TRP Z 22 6 ? 38.374 30.499 27.093 1.00 85.87 ? 20 TRP f CE2 1 ? ? +41908 ATOM C CZ2 . TRP Z 22 6 ? 38.692 31.700 26.464 1.00 86.72 ? 20 TRP f CZ2 1 ? ? +41909 ATOM C CH2 . TRP Z 22 6 ? 39.310 31.626 25.242 1.00 86.92 ? 20 TRP f CH2 1 ? ? +41910 ATOM C CZ3 . TRP Z 22 6 ? 39.610 30.397 24.648 1.00 86.41 ? 20 TRP f CZ3 1 ? ? +41911 ATOM C CE3 . TRP Z 22 6 ? 39.288 29.204 25.269 1.00 85.63 ? 20 TRP f CE3 1 ? ? +41912 ATOM C CD2 . TRP Z 22 6 ? 38.659 29.244 26.520 1.00 85.14 ? 20 TRP f CD2 1 ? ? +41913 ATOM C C . TRP Z 22 6 ? 37.331 26.684 24.950 1.00 81.34 ? 20 TRP f C 1 ? ? +41914 ATOM O O . TRP Z 22 6 ? 36.559 27.536 24.514 1.00 80.29 ? 20 TRP f O 1 ? ? +41915 ATOM N N . VAL Z 22 7 ? 38.335 26.154 24.240 1.00 80.32 ? 21 VAL f N 1 ? ? +41916 ATOM C CA . VAL Z 22 7 ? 38.640 26.591 22.891 1.00 79.33 ? 21 VAL f CA 1 ? ? +41917 ATOM C CB . VAL Z 22 7 ? 39.974 26.004 22.357 1.00 79.27 ? 21 VAL f CB 1 ? ? +41918 ATOM C CG1 . VAL Z 22 7 ? 40.254 26.468 20.937 1.00 79.00 ? 21 VAL f CG1 1 ? ? +41919 ATOM C CG2 . VAL Z 22 7 ? 41.144 26.373 23.261 1.00 80.15 ? 21 VAL f CG2 1 ? ? +41920 ATOM C C . VAL Z 22 7 ? 37.468 26.239 21.987 1.00 77.83 ? 21 VAL f C 1 ? ? +41921 ATOM O O . VAL Z 22 7 ? 37.026 27.081 21.214 1.00 77.66 ? 21 VAL f O 1 ? ? +41922 ATOM N N . ALA Z 22 8 ? 36.966 25.006 22.099 1.00 77.03 ? 22 ALA f N 1 ? ? +41923 ATOM C CA . ALA Z 22 8 ? 35.845 24.561 21.285 1.00 76.26 ? 22 ALA f CA 1 ? ? +41924 ATOM C CB . ALA Z 22 8 ? 35.465 23.127 21.636 1.00 76.03 ? 22 ALA f CB 1 ? ? +41925 ATOM C C . ALA Z 22 8 ? 34.619 25.460 21.430 1.00 75.52 ? 22 ALA f C 1 ? ? +41926 ATOM O O . ALA Z 22 8 ? 33.993 25.825 20.434 1.00 75.08 ? 22 ALA f O 1 ? ? +41927 ATOM N N . VAL Z 22 9 ? 34.282 25.805 22.678 1.00 75.58 ? 23 VAL f N 1 ? ? +41928 ATOM C CA . VAL Z 22 9 ? 33.133 26.653 22.944 1.00 75.40 ? 23 VAL f CA 1 ? ? +41929 ATOM C CB . VAL Z 22 9 ? 32.827 26.713 24.455 1.00 76.26 ? 23 VAL f CB 1 ? ? +41930 ATOM C CG1 . VAL Z 22 9 ? 31.765 27.765 24.761 1.00 76.32 ? 23 VAL f CG1 1 ? ? +41931 ATOM C CG2 . VAL Z 22 9 ? 32.394 25.341 24.982 1.00 75.99 ? 23 VAL f CG2 1 ? ? +41932 ATOM C C . VAL Z 22 9 ? 33.345 28.051 22.366 1.00 75.17 ? 23 VAL f C 1 ? ? +41933 ATOM O O . VAL Z 22 9 ? 32.478 28.610 21.702 1.00 74.79 ? 23 VAL f O 1 ? ? +41934 ATOM N N . HIS Z 22 10 ? 34.522 28.611 22.616 1.00 75.60 ? 24 HIS f N 1 ? ? +41935 ATOM C CA . HIS Z 22 10 ? 34.765 30.004 22.296 1.00 75.78 ? 24 HIS f CA 1 ? ? +41936 ATOM C CB . HIS Z 22 10 ? 35.874 30.522 23.243 1.00 77.06 ? 24 HIS f CB 1 ? ? +41937 ATOM C CG . HIS Z 22 10 ? 35.317 31.031 24.544 1.00 77.97 ? 24 HIS f CG 1 ? ? +41938 ATOM N ND1 . HIS Z 22 10 ? 34.813 32.290 24.618 1.00 78.90 ? 24 HIS f ND1 1 ? ? +41939 ATOM C CE1 . HIS Z 22 10 ? 34.396 32.472 25.865 1.00 79.54 ? 24 HIS f CE1 1 ? ? +41940 ATOM N NE2 . HIS Z 22 10 ? 34.591 31.421 26.611 1.00 79.36 ? 24 HIS f NE2 1 ? ? +41941 ATOM C CD2 . HIS Z 22 10 ? 35.204 30.463 25.777 1.00 78.42 ? 24 HIS f CD2 1 ? ? +41942 ATOM C C . HIS Z 22 10 ? 34.985 30.262 20.801 1.00 74.82 ? 24 HIS f C 1 ? ? +41943 ATOM O O . HIS Z 22 10 ? 34.632 31.335 20.319 1.00 74.87 ? 24 HIS f O 1 ? ? +41944 ATOM N N . THR Z 22 11 ? 35.470 29.266 20.043 1.00 74.03 ? 25 THR f N 1 ? ? +41945 ATOM C CA . THR Z 22 11 ? 35.612 29.409 18.597 1.00 73.11 ? 25 THR f CA 1 ? ? +41946 ATOM C CB . THR Z 22 11 ? 36.474 28.287 17.983 1.00 73.02 ? 25 THR f CB 1 ? ? +41947 ATOM O OG1 . THR Z 22 11 ? 35.927 27.039 18.391 1.00 72.84 ? 25 THR f OG1 1 ? ? +41948 ATOM C CG2 . THR Z 22 11 ? 37.942 28.380 18.378 1.00 73.79 ? 25 THR f CG2 1 ? ? +41949 ATOM C C . THR Z 22 11 ? 34.276 29.447 17.861 1.00 71.64 ? 25 THR f C 1 ? ? +41950 ATOM O O . THR Z 22 11 ? 34.181 30.021 16.780 1.00 71.49 ? 25 THR f O 1 ? ? +41951 ATOM N N . LEU Z 22 12 ? 33.250 28.810 18.434 1.00 70.68 ? 26 LEU f N 1 ? ? +41952 ATOM C CA . LEU Z 22 12 ? 31.900 28.928 17.906 1.00 69.50 ? 26 LEU f CA 1 ? ? +41953 ATOM C CB . LEU Z 22 12 ? 31.057 27.708 18.271 1.00 68.93 ? 26 LEU f CB 1 ? ? +41954 ATOM C CG . LEU Z 22 12 ? 31.406 26.429 17.555 1.00 68.46 ? 26 LEU f CG 1 ? ? +41955 ATOM C CD1 . LEU Z 22 12 ? 30.441 25.339 17.907 1.00 67.97 ? 26 LEU f CD1 1 ? ? +41956 ATOM C CD2 . LEU Z 22 12 ? 31.407 26.616 16.043 1.00 68.00 ? 26 LEU f CD2 1 ? ? +41957 ATOM C C . LEU Z 22 12 ? 31.203 30.174 18.441 1.00 69.35 ? 26 LEU f C 1 ? ? +41958 ATOM O O . LEU Z 22 12 ? 30.577 30.905 17.677 1.00 69.13 ? 26 LEU f O 1 ? ? +41959 ATOM N N . ALA Z 22 13 ? 31.320 30.394 19.755 1.00 69.39 ? 27 ALA f N 1 ? ? +41960 ATOM C CA . ALA Z 22 13 ? 30.558 31.415 20.448 1.00 69.40 ? 27 ALA f CA 1 ? ? +41961 ATOM C CB . ALA Z 22 13 ? 30.688 31.214 21.941 1.00 70.01 ? 27 ALA f CB 1 ? ? +41962 ATOM C C . ALA Z 22 13 ? 30.962 32.840 20.076 1.00 69.54 ? 27 ALA f C 1 ? ? +41963 ATOM O O . ALA Z 22 13 ? 30.098 33.695 19.898 1.00 69.64 ? 27 ALA f O 1 ? ? +41964 ATOM N N . VAL Z 22 14 ? 32.270 33.092 19.958 1.00 69.58 ? 28 VAL f N 1 ? ? +41965 ATOM C CA . VAL Z 22 14 ? 32.762 34.437 19.699 1.00 69.84 ? 28 VAL f CA 1 ? ? +41966 ATOM C CB . VAL Z 22 14 ? 34.317 34.509 19.802 1.00 70.51 ? 28 VAL f CB 1 ? ? +41967 ATOM C CG1 . VAL Z 22 14 ? 34.887 35.755 19.124 1.00 71.05 ? 28 VAL f CG1 1 ? ? +41968 ATOM C CG2 . VAL Z 22 14 ? 34.762 34.442 21.253 1.00 71.18 ? 28 VAL f CG2 1 ? ? +41969 ATOM C C . VAL Z 22 14 ? 32.224 34.964 18.366 1.00 68.94 ? 28 VAL f C 1 ? ? +41970 ATOM O O . VAL Z 22 14 ? 31.604 36.021 18.326 1.00 68.97 ? 28 VAL f O 1 ? ? +41971 ATOM N N . PRO Z 22 15 ? 32.443 34.267 17.230 1.00 68.03 ? 29 PRO f N 1 ? ? +41972 ATOM C CA . PRO Z 22 15 ? 31.886 34.709 15.953 1.00 67.35 ? 29 PRO f CA 1 ? ? +41973 ATOM C CB . PRO Z 22 15 ? 32.351 33.629 14.977 1.00 66.82 ? 29 PRO f CB 1 ? ? +41974 ATOM C CG . PRO Z 22 15 ? 33.558 33.020 15.629 1.00 67.36 ? 29 PRO f CG 1 ? ? +41975 ATOM C CD . PRO Z 22 15 ? 33.265 33.051 17.092 1.00 67.85 ? 29 PRO f CD 1 ? ? +41976 ATOM C C . PRO Z 22 15 ? 30.367 34.828 15.952 1.00 66.64 ? 29 PRO f C 1 ? ? +41977 ATOM O O . PRO Z 22 15 ? 29.833 35.759 15.357 1.00 66.57 ? 29 PRO f O 1 ? ? +41978 ATOM N N . THR Z 22 16 ? 29.681 33.885 16.613 1.00 66.01 ? 30 THR f N 1 ? ? +41979 ATOM C CA . THR Z 22 16 ? 28.225 33.871 16.625 1.00 65.33 ? 30 THR f CA 1 ? ? +41980 ATOM C CB . THR Z 22 16 ? 27.653 32.732 17.495 1.00 64.93 ? 30 THR f CB 1 ? ? +41981 ATOM O OG1 . THR Z 22 16 ? 27.968 31.472 16.924 1.00 64.32 ? 30 THR f OG1 1 ? ? +41982 ATOM C CG2 . THR Z 22 16 ? 26.158 32.787 17.623 1.00 64.55 ? 30 THR f CG2 1 ? ? +41983 ATOM C C . THR Z 22 16 ? 27.697 35.230 17.073 1.00 65.82 ? 30 THR f C 1 ? ? +41984 ATOM O O . THR Z 22 16 ? 26.853 35.807 16.391 1.00 65.69 ? 30 THR f O 1 ? ? +41985 ATOM N N . ILE Z 22 17 ? 28.212 35.743 18.199 1.00 66.43 ? 31 ILE f N 1 ? ? +41986 ATOM C CA . ILE Z 22 17 ? 27.691 36.971 18.775 1.00 66.88 ? 31 ILE f CA 1 ? ? +41987 ATOM C CB . ILE Z 22 17 ? 28.196 37.194 20.218 1.00 67.81 ? 31 ILE f CB 1 ? ? +41988 ATOM C CG1 . ILE Z 22 17 ? 27.427 36.307 21.204 1.00 67.67 ? 31 ILE f CG1 1 ? ? +41989 ATOM C CG2 . ILE Z 22 17 ? 28.069 38.644 20.672 1.00 68.62 ? 31 ILE f CG2 1 ? ? +41990 ATOM C CD1 . ILE Z 22 17 ? 27.583 34.873 21.029 1.00 67.14 ? 31 ILE f CD1 1 ? ? +41991 ATOM C C . ILE Z 22 17 ? 27.988 38.145 17.848 1.00 66.98 ? 31 ILE f C 1 ? ? +41992 ATOM O O . ILE Z 22 17 ? 27.110 38.976 17.622 1.00 67.10 ? 31 ILE f O 1 ? ? +41993 ATOM N N . PHE Z 22 18 ? 29.215 38.191 17.314 1.00 66.92 ? 32 PHE f N 1 ? ? +41994 ATOM C CA . PHE Z 22 18 ? 29.601 39.202 16.347 1.00 66.96 ? 32 PHE f CA 1 ? ? +41995 ATOM C CB . PHE Z 22 18 ? 31.047 38.951 15.901 1.00 67.13 ? 32 PHE f CB 1 ? ? +41996 ATOM C CG . PHE Z 22 18 ? 31.596 39.918 14.884 1.00 67.38 ? 32 PHE f CG 1 ? ? +41997 ATOM C CD1 . PHE Z 22 18 ? 31.348 39.745 13.537 1.00 66.75 ? 32 PHE f CD1 1 ? ? +41998 ATOM C CD2 . PHE Z 22 18 ? 32.351 41.009 15.276 1.00 68.29 ? 32 PHE f CD2 1 ? ? +41999 ATOM C CE1 . PHE Z 22 18 ? 31.854 40.635 12.601 1.00 67.07 ? 32 PHE f CE1 1 ? ? +42000 ATOM C CE2 . PHE Z 22 18 ? 32.852 41.901 14.336 1.00 68.60 ? 32 PHE f CE2 1 ? ? +42001 ATOM C CZ . PHE Z 22 18 ? 32.606 41.706 13.006 1.00 67.98 ? 32 PHE f CZ 1 ? ? +42002 ATOM C C . PHE Z 22 18 ? 28.632 39.211 15.166 1.00 66.15 ? 32 PHE f C 1 ? ? +42003 ATOM O O . PHE Z 22 18 ? 28.159 40.268 14.754 1.00 66.33 ? 32 PHE f O 1 ? ? +42004 ATOM N N . PHE Z 22 19 ? 28.328 38.022 14.638 1.00 65.28 ? 33 PHE f N 1 ? ? +42005 ATOM C CA . PHE Z 22 19 ? 27.448 37.899 13.488 1.00 64.53 ? 33 PHE f CA 1 ? ? +42006 ATOM C CB . PHE Z 22 19 ? 27.455 36.469 12.937 1.00 63.64 ? 33 PHE f CB 1 ? ? +42007 ATOM C CG . PHE Z 22 19 ? 28.541 36.233 11.914 1.00 63.47 ? 33 PHE f CG 1 ? ? +42008 ATOM C CD1 . PHE Z 22 19 ? 29.876 36.435 12.235 1.00 64.05 ? 33 PHE f CD1 1 ? ? +42009 ATOM C CD2 . PHE Z 22 19 ? 28.228 35.813 10.634 1.00 62.71 ? 33 PHE f CD2 1 ? ? +42010 ATOM C CE1 . PHE Z 22 19 ? 30.874 36.222 11.298 1.00 63.98 ? 33 PHE f CE1 1 ? ? +42011 ATOM C CE2 . PHE Z 22 19 ? 29.226 35.606 9.698 1.00 62.67 ? 33 PHE f CE2 1 ? ? +42012 ATOM C CZ . PHE Z 22 19 ? 30.548 35.812 10.037 1.00 63.31 ? 33 PHE f CZ 1 ? ? +42013 ATOM C C . PHE Z 22 19 ? 26.009 38.311 13.781 1.00 64.43 ? 33 PHE f C 1 ? ? +42014 ATOM O O . PHE Z 22 19 ? 25.346 38.888 12.926 1.00 64.22 ? 33 PHE f O 1 ? ? +42015 ATOM N N . LEU Z 22 20 ? 25.532 37.985 14.984 1.00 64.63 ? 34 LEU f N 1 ? ? +42016 ATOM C CA . LEU Z 22 20 ? 24.188 38.351 15.399 1.00 64.59 ? 34 LEU f CA 1 ? ? +42017 ATOM C CB . LEU Z 22 20 ? 23.842 37.700 16.747 1.00 64.64 ? 34 LEU f CB 1 ? ? +42018 ATOM C CG . LEU Z 22 20 ? 23.503 36.220 16.713 1.00 63.88 ? 34 LEU f CG 1 ? ? +42019 ATOM C CD1 . LEU Z 22 20 ? 23.142 35.731 18.084 1.00 64.06 ? 34 LEU f CD1 1 ? ? +42020 ATOM C CD2 . LEU Z 22 20 ? 22.365 35.924 15.770 1.00 63.18 ? 34 LEU f CD2 1 ? ? +42021 ATOM C C . LEU Z 22 20 ? 24.046 39.867 15.509 1.00 65.35 ? 34 LEU f C 1 ? ? +42022 ATOM O O . LEU Z 22 20 ? 22.998 40.421 15.190 1.00 65.41 ? 34 LEU f O 1 ? ? +42023 ATOM N N . GLY Z 22 21 ? 25.099 40.531 15.982 1.00 66.09 ? 35 GLY f N 1 ? ? +42024 ATOM C CA . GLY Z 22 21 ? 25.122 41.980 16.026 1.00 66.83 ? 35 GLY f CA 1 ? ? +42025 ATOM C C . GLY Z 22 21 ? 25.086 42.598 14.634 1.00 66.72 ? 35 GLY f C 1 ? ? +42026 ATOM O O . GLY Z 22 21 ? 24.418 43.603 14.427 1.00 66.97 ? 35 GLY f O 1 ? ? +42027 ATOM N N . ALA Z 22 22 ? 25.819 41.991 13.695 1.00 66.47 ? 36 ALA f N 1 ? ? +42028 ATOM C CA . ALA Z 22 22 ? 25.843 42.441 12.312 1.00 66.29 ? 36 ALA f CA 1 ? ? +42029 ATOM C CB . ALA Z 22 22 ? 26.884 41.669 11.518 1.00 65.99 ? 36 ALA f CB 1 ? ? +42030 ATOM C C . ALA Z 22 22 ? 24.471 42.287 11.665 1.00 65.65 ? 36 ALA f C 1 ? ? +42031 ATOM O O . ALA Z 22 22 ? 24.006 43.190 10.983 1.00 65.81 ? 36 ALA f O 1 ? ? +42032 ATOM N N . ILE Z 22 23 ? 23.828 41.138 11.885 1.00 65.05 ? 37 ILE f N 1 ? ? +42033 ATOM C CA . ILE Z 22 23 ? 22.526 40.871 11.294 1.00 64.52 ? 37 ILE f CA 1 ? ? +42034 ATOM C CB . ILE Z 22 23 ? 22.189 39.362 11.379 1.00 63.76 ? 37 ILE f CB 1 ? ? +42035 ATOM C CG1 . ILE Z 22 23 ? 23.228 38.529 10.580 1.00 63.42 ? 37 ILE f CG1 1 ? ? +42036 ATOM C CG2 . ILE Z 22 23 ? 20.765 39.059 10.906 1.00 63.11 ? 37 ILE f CG2 1 ? ? +42037 ATOM C CD1 . ILE Z 22 23 ? 23.108 37.030 10.784 1.00 62.83 ? 37 ILE f CD1 1 ? ? +42038 ATOM C C . ILE Z 22 23 ? 21.460 41.766 11.926 1.00 64.98 ? 37 ILE f C 1 ? ? +42039 ATOM O O . ILE Z 22 23 ? 20.586 42.264 11.231 1.00 64.84 ? 37 ILE f O 1 ? ? +42040 ATOM N N . ALA Z 22 24 ? 21.551 41.992 13.238 1.00 65.66 ? 38 ALA f N 1 ? ? +42041 ATOM C CA . ALA Z 22 24 ? 20.669 42.931 13.906 1.00 66.26 ? 38 ALA f CA 1 ? ? +42042 ATOM C CB . ALA Z 22 24 ? 21.031 43.036 15.375 1.00 66.80 ? 38 ALA f CB 1 ? ? +42043 ATOM C C . ALA Z 22 24 ? 20.724 44.301 13.230 1.00 67.03 ? 38 ALA f C 1 ? ? +42044 ATOM O O . ALA Z 22 24 ? 19.684 44.881 12.919 1.00 67.11 ? 38 ALA f O 1 ? ? +42045 ATOM N N . ALA Z 22 25 ? 21.945 44.798 12.985 1.00 67.71 ? 39 ALA f N 1 ? ? +42046 ATOM C CA . ALA Z 22 25 ? 22.153 46.101 12.368 1.00 68.38 ? 39 ALA f CA 1 ? ? +42047 ATOM C CB . ALA Z 22 25 ? 23.646 46.400 12.251 1.00 68.90 ? 39 ALA f CB 1 ? ? +42048 ATOM C C . ALA Z 22 25 ? 21.502 46.202 10.992 1.00 68.04 ? 39 ALA f C 1 ? ? +42049 ATOM O O . ALA Z 22 25 ? 20.975 47.249 10.632 1.00 68.28 ? 39 ALA f O 1 ? ? +42050 ATOM N N . MET Z 22 26 ? 21.554 45.098 10.240 1.00 67.61 ? 40 MET f N 1 ? ? +42051 ATOM C CA . MET Z 22 26 ? 21.041 45.043 8.883 1.00 67.38 ? 40 MET f CA 1 ? ? +42052 ATOM C CB . MET Z 22 26 ? 21.335 43.660 8.274 1.00 66.54 ? 40 MET f CB 1 ? ? +42053 ATOM C CG . MET Z 22 26 ? 22.779 43.414 7.918 1.00 66.56 ? 40 MET f CG 1 ? ? +42054 ATOM S SD . MET Z 22 26 ? 23.006 41.670 7.486 1.00 65.54 ? 40 MET f SD 1 ? ? +42055 ATOM C CE . MET Z 22 26 ? 24.827 41.507 7.701 1.00 65.99 ? 40 MET f CE 1 ? ? +42056 ATOM C C . MET Z 22 26 ? 19.535 45.292 8.792 1.00 67.47 ? 40 MET f C 1 ? ? +42057 ATOM O O . MET Z 22 26 ? 19.048 45.698 7.743 1.00 67.28 ? 40 MET f O 1 ? ? +42058 ATOM N N . GLN Z 22 27 ? 18.805 45.051 9.889 1.00 67.90 ? 41 GLN f N 1 ? ? +42059 ATOM C CA . GLN Z 22 27 ? 17.356 45.194 9.888 1.00 68.15 ? 41 GLN f CA 1 ? ? +42060 ATOM C CB . GLN Z 22 27 ? 16.729 44.593 11.162 1.00 67.86 ? 41 GLN f CB 1 ? ? +42061 ATOM C CG . GLN Z 22 27 ? 17.114 43.152 11.455 1.00 67.15 ? 41 GLN f CG 1 ? ? +42062 ATOM C CD . GLN Z 22 27 ? 17.052 42.267 10.250 1.00 66.28 ? 41 GLN f CD 1 ? ? +42063 ATOM O OE1 . GLN Z 22 27 ? 16.086 42.286 9.492 1.00 65.80 ? 41 GLN f OE1 1 ? ? +42064 ATOM N NE2 . GLN Z 22 27 ? 18.098 41.477 10.030 1.00 66.02 ? 41 GLN f NE2 1 ? ? +42065 ATOM C C . GLN Z 22 27 ? 16.896 46.643 9.752 1.00 69.40 ? 41 GLN f C 1 ? ? +42066 ATOM O O . GLN Z 22 27 ? 15.726 46.891 9.466 1.00 69.32 ? 41 GLN f O 1 ? ? +42067 ATOM N N . PHE Z 22 28 ? 17.824 47.585 9.954 1.00 70.84 ? 42 PHE f N 1 ? ? +42068 ATOM C CA . PHE Z 22 28 ? 17.533 49.002 9.826 1.00 72.13 ? 42 PHE f CA 1 ? ? +42069 ATOM C CB . PHE Z 22 28 ? 18.079 49.718 11.059 1.00 73.03 ? 42 PHE f CB 1 ? ? +42070 ATOM C CG . PHE Z 22 28 ? 17.474 49.189 12.332 1.00 73.04 ? 42 PHE f CG 1 ? ? +42071 ATOM C CD1 . PHE Z 22 28 ? 16.197 49.574 12.725 1.00 73.26 ? 42 PHE f CD1 1 ? ? +42072 ATOM C CD2 . PHE Z 22 28 ? 18.154 48.267 13.108 1.00 72.86 ? 42 PHE f CD2 1 ? ? +42073 ATOM C CE1 . PHE Z 22 28 ? 15.632 49.072 13.895 1.00 73.30 ? 42 PHE f CE1 1 ? ? +42074 ATOM C CE2 . PHE Z 22 28 ? 17.589 47.766 14.274 1.00 72.97 ? 42 PHE f CE2 1 ? ? +42075 ATOM C CZ . PHE Z 22 28 ? 16.330 48.170 14.663 1.00 73.20 ? 42 PHE f CZ 1 ? ? +42076 ATOM C C . PHE Z 22 28 ? 18.085 49.632 8.549 1.00 72.97 ? 42 PHE f C 1 ? ? +42077 ATOM O O . PHE Z 22 28 ? 17.971 50.843 8.376 1.00 73.83 ? 42 PHE f O 1 ? ? +42078 ATOM N N . ILE Z 22 29 ? 18.651 48.816 7.648 1.00 73.22 ? 43 ILE f N 1 ? ? +42079 ATOM C CA . ILE Z 22 29 ? 19.146 49.305 6.372 1.00 74.13 ? 43 ILE f CA 1 ? ? +42080 ATOM C CB . ILE Z 22 29 ? 20.194 48.356 5.719 1.00 73.45 ? 43 ILE f CB 1 ? ? +42081 ATOM C CG1 . ILE Z 22 29 ? 21.440 48.202 6.585 1.00 73.97 ? 43 ILE f CG1 1 ? ? +42082 ATOM C CG2 . ILE Z 22 29 ? 20.578 48.841 4.322 1.00 73.32 ? 43 ILE f CG2 1 ? ? +42083 ATOM C CD1 . ILE Z 22 29 ? 22.340 47.057 6.169 1.00 73.51 ? 43 ILE f CD1 1 ? ? +42084 ATOM C C . ILE Z 22 29 ? 17.954 49.533 5.448 1.00 75.18 ? 43 ILE f C 1 ? ? +42085 ATOM O O . ILE Z 22 29 ? 17.097 48.666 5.306 1.00 74.18 ? 43 ILE f O 1 ? ? +42086 ATOM N N . GLN Z 22 30 ? 17.937 50.719 4.828 1.00 78.12 ? 44 GLN f N 1 ? ? +42087 ATOM C CA . GLN Z 22 30 ? 16.883 51.158 3.932 1.00 80.35 ? 44 GLN f CA 1 ? ? +42088 ATOM C CB . GLN Z 22 30 ? 16.358 52.533 4.364 1.00 83.07 ? 44 GLN f CB 1 ? ? +42089 ATOM C CG . GLN Z 22 30 ? 14.907 52.784 3.980 1.00 85.19 ? 44 GLN f CG 1 ? ? +42090 ATOM C CD . GLN Z 22 30 ? 13.956 52.148 4.969 1.00 86.62 ? 44 GLN f CD 1 ? ? +42091 ATOM O OE1 . GLN Z 22 30 ? 14.184 52.206 6.187 1.00 87.28 ? 44 GLN f OE1 1 ? ? +42092 ATOM N NE2 . GLN Z 22 30 ? 12.872 51.523 4.473 1.00 86.64 ? 44 GLN f NE2 1 ? ? +42093 ATOM C C . GLN Z 22 30 ? 17.509 51.257 2.546 1.00 80.69 ? 44 GLN f C 1 ? ? +42094 ATOM O O . GLN Z 22 30 ? 18.721 51.404 2.435 1.00 81.07 ? 44 GLN f O 1 ? ? +42095 ATOM N N . ARG Z 22 31 ? 16.685 51.203 1.494 1.00 81.14 ? 45 ARG f N 1 ? ? +42096 ATOM C CA . ARG Z 22 31 ? 17.176 51.353 0.132 1.00 81.51 ? 45 ARG f CA 1 ? ? +42097 ATOM C CB . ARG Z 22 31 ? 16.422 50.393 -0.816 1.00 79.54 ? 45 ARG f CB 1 ? ? +42098 ATOM C CG . ARG Z 22 31 ? 14.957 50.713 -1.008 1.00 78.44 ? 45 ARG f CG 1 ? ? +42099 ATOM C CD . ARG Z 22 31 ? 14.291 49.730 -1.927 1.00 76.99 ? 45 ARG f CD 1 ? ? +42100 ATOM N NE . ARG Z 22 31 ? 12.915 50.127 -2.196 1.00 76.51 ? 45 ARG f NE 1 ? ? +42101 ATOM C CZ . ARG Z 22 31 ? 12.525 50.837 -3.247 1.00 76.08 ? 45 ARG f CZ 1 ? ? +42102 ATOM N NH1 . ARG Z 22 31 ? 13.385 51.257 -4.162 1.00 76.01 ? 45 ARG f NH1 1 ? ? +42103 ATOM N NH2 . ARG Z 22 31 ? 11.240 51.153 -3.370 1.00 75.99 ? 45 ARG f NH2 1 ? ? +42104 ATOM C C . ARG Z 22 31 ? 17.057 52.823 -0.326 1.00 84.01 ? 45 ARG f C 1 ? ? +42105 ATOM O O . ARG Z 22 31 ? 17.671 53.232 -1.307 1.00 86.72 ? 45 ARG f O 1 ? ? +42106 ATOM O OXT . ARG Z 22 31 ? 16.346 53.604 0.297 1.00 87.69 ? 45 ARG f OXT 1 ? ? +42107 ATOM N N . ALA AA 7 1 ? 52.476 -32.017 2.526 1.00 78.14 ? 2 ALA h N 1 ? ? +42108 ATOM C CA . ALA AA 7 1 ? 52.693 -31.129 1.392 1.00 76.70 ? 2 ALA h CA 1 ? ? +42109 ATOM C CB . ALA AA 7 1 ? 53.624 -29.996 1.794 1.00 77.24 ? 2 ALA h CB 1 ? ? +42110 ATOM C C . ALA AA 7 1 ? 53.286 -31.927 0.236 1.00 75.47 ? 2 ALA h C 1 ? ? +42111 ATOM O O . ALA AA 7 1 ? 53.660 -33.080 0.423 1.00 76.69 ? 2 ALA h O 1 ? ? +42112 ATOM N N A ARG AA 7 2 ? 53.305 -31.326 -0.957 0.50 74.18 ? 3 ARG h N 1 ? ? +42113 ATOM N N B ARG AA 7 2 ? 53.398 -31.289 -0.935 0.50 73.99 ? 3 ARG h N 1 ? ? +42114 ATOM C CA A ARG AA 7 2 ? 53.999 -31.900 -2.097 0.50 73.70 ? 3 ARG h CA 1 ? ? +42115 ATOM C CA B ARG AA 7 2 ? 53.983 -31.908 -2.113 0.50 73.24 ? 3 ARG h CA 1 ? ? +42116 ATOM C C A ARG AA 7 2 ? 55.106 -30.957 -2.555 0.50 73.35 ? 3 ARG h C 1 ? ? +42117 ATOM C C B ARG AA 7 2 ? 55.073 -31.017 -2.704 0.50 73.03 ? 3 ARG h C 1 ? ? +42118 ATOM O O A ARG AA 7 2 ? 54.858 -29.785 -2.830 0.50 72.26 ? 3 ARG h O 1 ? ? +42119 ATOM O O B ARG AA 7 2 ? 54.781 -29.921 -3.182 0.50 71.81 ? 3 ARG h O 1 ? ? +42120 ATOM C CB A ARG AA 7 2 ? 53.028 -32.206 -3.252 0.50 73.29 ? 3 ARG h CB 1 ? ? +42121 ATOM C CB B ARG AA 7 2 ? 52.890 -32.179 -3.145 0.50 72.50 ? 3 ARG h CB 1 ? ? +42122 ATOM C CG A ARG AA 7 2 ? 53.694 -32.443 -4.602 0.50 73.75 ? 3 ARG h CG 1 ? ? +42123 ATOM C CG B ARG AA 7 2 ? 53.385 -32.670 -4.501 0.50 72.50 ? 3 ARG h CG 1 ? ? +42124 ATOM C CD A ARG AA 7 2 ? 52.890 -33.393 -5.471 0.50 73.74 ? 3 ARG h CD 1 ? ? +42125 ATOM C CD B ARG AA 7 2 ? 52.215 -32.890 -5.459 0.50 71.68 ? 3 ARG h CD 1 ? ? +42126 ATOM N NE A ARG AA 7 2 ? 53.168 -33.219 -6.893 0.50 73.99 ? 3 ARG h NE 1 ? ? +42127 ATOM N NE B ARG AA 7 2 ? 51.569 -34.181 -5.250 0.50 71.59 ? 3 ARG h NE 1 ? ? +42128 ATOM C CZ A ARG AA 7 2 ? 52.546 -33.876 -7.863 0.50 73.83 ? 3 ARG h CZ 1 ? ? +42129 ATOM C CZ B ARG AA 7 2 ? 50.471 -34.362 -4.530 0.50 71.32 ? 3 ARG h CZ 1 ? ? +42130 ATOM N NH1 A ARG AA 7 2 ? 51.696 -34.858 -7.600 0.50 73.70 ? 3 ARG h NH1 1 ? ? +42131 ATOM N NH1 B ARG AA 7 2 ? 49.965 -33.392 -3.784 0.50 70.73 ? 3 ARG h NH1 1 ? ? +42132 ATOM N NH2 A ARG AA 7 2 ? 52.787 -33.545 -9.129 0.50 73.42 ? 3 ARG h NH2 1 ? ? +42133 ATOM N NH2 B ARG AA 7 2 ? 49.884 -35.556 -4.533 0.50 71.51 ? 3 ARG h NH2 1 ? ? +42134 ATOM N N . ARG AA 7 3 ? 56.326 -31.497 -2.647 1.00 73.36 ? 4 ARG h N 1 ? ? +42135 ATOM C CA . ARG AA 7 3 ? 57.443 -30.786 -3.235 1.00 73.41 ? 4 ARG h CA 1 ? ? +42136 ATOM C CB . ARG AA 7 3 ? 58.773 -31.311 -2.689 1.00 75.70 ? 4 ARG h CB 1 ? ? +42137 ATOM C CG . ARG AA 7 3 ? 59.027 -30.926 -1.258 1.00 77.12 ? 4 ARG h CG 1 ? ? +42138 ATOM C CD . ARG AA 7 3 ? 60.287 -31.595 -0.764 1.00 79.42 ? 4 ARG h CD 1 ? ? +42139 ATOM N NE . ARG AA 7 3 ? 61.479 -31.079 -1.423 1.00 80.65 ? 4 ARG h NE 1 ? ? +42140 ATOM C CZ . ARG AA 7 3 ? 62.632 -31.728 -1.487 1.00 83.27 ? 4 ARG h CZ 1 ? ? +42141 ATOM N NH1 . ARG AA 7 3 ? 62.724 -33.010 -1.171 1.00 83.70 ? 4 ARG h NH1 1 ? ? +42142 ATOM N NH2 . ARG AA 7 3 ? 63.715 -31.085 -1.922 1.00 85.16 ? 4 ARG h NH2 1 ? ? +42143 ATOM C C . ARG AA 7 3 ? 57.385 -30.947 -4.748 1.00 71.53 ? 4 ARG h C 1 ? ? +42144 ATOM O O . ARG AA 7 3 ? 56.962 -31.988 -5.242 1.00 70.96 ? 4 ARG h O 1 ? ? +42145 ATOM N N . THR AA 7 4 ? 57.780 -29.890 -5.464 1.00 70.95 ? 5 THR h N 1 ? ? +42146 ATOM C CA . THR AA 7 4 ? 58.023 -29.953 -6.896 1.00 71.03 ? 5 THR h CA 1 ? ? +42147 ATOM C CB . THR AA 7 4 ? 56.932 -29.265 -7.698 1.00 70.14 ? 5 THR h CB 1 ? ? +42148 ATOM O OG1 . THR AA 7 4 ? 57.090 -27.849 -7.568 1.00 70.31 ? 5 THR h OG1 1 ? ? +42149 ATOM C CG2 . THR AA 7 4 ? 55.529 -29.696 -7.272 1.00 69.14 ? 5 THR h CG2 1 ? ? +42150 ATOM C C . THR AA 7 4 ? 59.369 -29.300 -7.187 1.00 72.82 ? 5 THR h C 1 ? ? +42151 ATOM O O . THR AA 7 4 ? 59.941 -28.628 -6.330 1.00 74.65 ? 5 THR h O 1 ? ? +42152 ATOM N N . TRP AA 7 5 ? 59.864 -29.517 -8.406 1.00 73.54 ? 6 TRP h N 1 ? ? +42153 ATOM C CA . TRP AA 7 5 ? 61.115 -28.926 -8.855 1.00 74.26 ? 6 TRP h CA 1 ? ? +42154 ATOM C CB . TRP AA 7 5 ? 61.418 -29.391 -10.302 1.00 75.54 ? 6 TRP h CB 1 ? ? +42155 ATOM C CG . TRP AA 7 5 ? 62.503 -28.635 -10.984 1.00 78.52 ? 6 TRP h CG 1 ? ? +42156 ATOM C CD1 . TRP AA 7 5 ? 63.847 -28.702 -10.725 1.00 80.79 ? 6 TRP h CD1 1 ? ? +42157 ATOM N NE1 . TRP AA 7 5 ? 64.530 -27.841 -11.557 1.00 82.01 ? 6 TRP h NE1 1 ? ? +42158 ATOM C CE2 . TRP AA 7 5 ? 63.624 -27.188 -12.366 1.00 81.27 ? 6 TRP h CE2 1 ? ? +42159 ATOM C CZ2 . TRP AA 7 5 ? 63.823 -26.224 -13.362 1.00 81.28 ? 6 TRP h CZ2 1 ? ? +42160 ATOM C CH2 . TRP AA 7 5 ? 62.708 -25.749 -14.013 1.00 80.10 ? 6 TRP h CH2 1 ? ? +42161 ATOM C CZ3 . TRP AA 7 5 ? 61.424 -26.212 -13.700 1.00 78.85 ? 6 TRP h CZ3 1 ? ? +42162 ATOM C CE3 . TRP AA 7 5 ? 61.227 -27.168 -12.720 1.00 78.56 ? 6 TRP h CE3 1 ? ? +42163 ATOM C CD2 . TRP AA 7 5 ? 62.337 -27.665 -12.026 1.00 79.21 ? 6 TRP h CD2 1 ? ? +42164 ATOM C C . TRP AA 7 5 ? 61.024 -27.406 -8.736 1.00 72.87 ? 6 TRP h C 1 ? ? +42165 ATOM O O . TRP AA 7 5 ? 61.865 -26.765 -8.108 1.00 72.85 ? 6 TRP h O 1 ? ? +42166 ATOM N N . LEU AA 7 6 ? 59.952 -26.840 -9.304 1.00 71.38 ? 7 LEU h N 1 ? ? +42167 ATOM C CA . LEU AA 7 6 ? 59.767 -25.398 -9.320 1.00 70.42 ? 7 LEU h CA 1 ? ? +42168 ATOM C CB . LEU AA 7 6 ? 58.617 -25.023 -10.260 1.00 68.99 ? 7 LEU h CB 1 ? ? +42169 ATOM C CG . LEU AA 7 6 ? 58.481 -23.530 -10.528 1.00 68.67 ? 7 LEU h CG 1 ? ? +42170 ATOM C CD1 . LEU AA 7 6 ? 59.680 -22.979 -11.327 1.00 69.14 ? 7 LEU h CD1 1 ? ? +42171 ATOM C CD2 . LEU AA 7 6 ? 57.200 -23.224 -11.281 1.00 67.49 ? 7 LEU h CD2 1 ? ? +42172 ATOM C C . LEU AA 7 6 ? 59.545 -24.839 -7.915 1.00 70.24 ? 7 LEU h C 1 ? ? +42173 ATOM O O . LEU AA 7 6 ? 60.109 -23.807 -7.557 1.00 70.95 ? 7 LEU h O 1 ? ? +42174 ATOM N N . GLY AA 7 7 ? 58.752 -25.549 -7.109 1.00 69.47 ? 8 GLY h N 1 ? ? +42175 ATOM C CA . GLY AA 7 7 ? 58.585 -25.212 -5.703 1.00 69.30 ? 8 GLY h CA 1 ? ? +42176 ATOM C C . GLY AA 7 7 ? 59.891 -25.088 -4.920 1.00 69.67 ? 8 GLY h C 1 ? ? +42177 ATOM O O . GLY AA 7 7 ? 60.053 -24.161 -4.134 1.00 69.25 ? 8 GLY h O 1 ? ? +42178 ATOM N N . ASP AA 7 8 ? 60.810 -26.034 -5.140 1.00 70.81 ? 9 ASP h N 1 ? ? +42179 ATOM C CA . ASP AA 7 8 ? 62.111 -26.023 -4.480 1.00 72.11 ? 9 ASP h CA 1 ? ? +42180 ATOM C CB . ASP AA 7 8 ? 62.866 -27.307 -4.781 1.00 73.37 ? 9 ASP h CB 1 ? ? +42181 ATOM C CG . ASP AA 7 8 ? 62.352 -28.532 -4.079 1.00 74.40 ? 9 ASP h CG 1 ? ? +42182 ATOM O OD1 . ASP AA 7 8 ? 61.727 -28.388 -3.016 1.00 75.03 ? 9 ASP h OD1 1 ? ? +42183 ATOM O OD2 . ASP AA 7 8 ? 62.571 -29.636 -4.594 1.00 76.38 ? 9 ASP h OD2 1 ? ? +42184 ATOM C C . ASP AA 7 8 ? 62.956 -24.822 -4.892 1.00 71.96 ? 9 ASP h C 1 ? ? +42185 ATOM O O . ASP AA 7 8 ? 63.621 -24.218 -4.062 1.00 72.54 ? 9 ASP h O 1 ? ? +42186 ATOM N N . ILE AA 7 9 ? 62.909 -24.472 -6.179 1.00 71.70 ? 10 ILE h N 1 ? ? +42187 ATOM C CA . ILE AA 7 9 ? 63.576 -23.282 -6.679 1.00 72.07 ? 10 ILE h CA 1 ? ? +42188 ATOM C CB . ILE AA 7 9 ? 63.525 -23.286 -8.233 1.00 72.60 ? 10 ILE h CB 1 ? ? +42189 ATOM C CG1 . ILE AA 7 9 ? 64.473 -24.393 -8.785 1.00 73.92 ? 10 ILE h CG1 1 ? ? +42190 ATOM C CG2 . ILE AA 7 9 ? 63.865 -21.914 -8.832 1.00 72.74 ? 10 ILE h CG2 1 ? ? +42191 ATOM C CD1 . ILE AA 7 9 ? 64.421 -24.573 -10.314 1.00 73.94 ? 10 ILE h CD1 1 ? ? +42192 ATOM C C . ILE AA 7 9 ? 63.009 -21.996 -6.077 1.00 71.13 ? 10 ILE h C 1 ? ? +42193 ATOM O O . ILE AA 7 9 ? 63.778 -21.127 -5.683 1.00 70.94 ? 10 ILE h O 1 ? ? +42194 ATOM N N . LEU AA 7 10 ? 61.673 -21.877 -6.005 1.00 69.77 ? 11 LEU h N 1 ? ? +42195 ATOM C CA . LEU AA 7 10 ? 61.046 -20.662 -5.505 1.00 69.14 ? 11 LEU h CA 1 ? ? +42196 ATOM C CB . LEU AA 7 10 ? 59.610 -20.569 -6.013 1.00 68.20 ? 11 LEU h CB 1 ? ? +42197 ATOM C CG . LEU AA 7 10 ? 59.414 -20.526 -7.517 1.00 67.63 ? 11 LEU h CG 1 ? ? +42198 ATOM C CD1 . LEU AA 7 10 ? 57.952 -20.628 -7.860 1.00 66.35 ? 11 LEU h CD1 1 ? ? +42199 ATOM C CD2 . LEU AA 7 10 ? 59.994 -19.261 -8.126 1.00 67.84 ? 11 LEU h CD2 1 ? ? +42200 ATOM C C . LEU AA 7 10 ? 61.024 -20.557 -3.978 1.00 69.45 ? 11 LEU h C 1 ? ? +42201 ATOM O O . LEU AA 7 10 ? 60.752 -19.487 -3.441 1.00 69.23 ? 11 LEU h O 1 ? ? +42202 ATOM N N . ARG AA 7 11 ? 61.326 -21.662 -3.286 1.00 70.07 ? 12 ARG h N 1 ? ? +42203 ATOM C CA . ARG AA 7 11 ? 61.256 -21.743 -1.833 1.00 70.66 ? 12 ARG h CA 1 ? ? +42204 ATOM C CB . ARG AA 7 11 ? 61.951 -23.060 -1.381 1.00 71.88 ? 12 ARG h CB 1 ? ? +42205 ATOM C CG . ARG AA 7 11 ? 62.189 -23.256 0.121 1.00 73.10 ? 12 ARG h CG 1 ? ? +42206 ATOM C CD . ARG AA 7 11 ? 60.960 -23.749 0.831 1.00 72.96 ? 12 ARG h CD 1 ? ? +42207 ATOM N NE . ARG AA 7 11 ? 59.958 -22.701 0.952 1.00 72.74 ? 12 ARG h NE 1 ? ? +42208 ATOM C CZ . ARG AA 7 11 ? 58.718 -22.892 1.379 1.00 72.23 ? 12 ARG h CZ 1 ? ? +42209 ATOM N NH1 . ARG AA 7 11 ? 58.274 -24.098 1.696 1.00 72.11 ? 12 ARG h NH1 1 ? ? +42210 ATOM N NH2 . ARG AA 7 11 ? 57.907 -21.843 1.502 1.00 71.73 ? 12 ARG h NH2 1 ? ? +42211 ATOM C C . ARG AA 7 11 ? 61.835 -20.540 -1.080 1.00 70.81 ? 12 ARG h C 1 ? ? +42212 ATOM O O . ARG AA 7 11 ? 61.177 -20.027 -0.178 1.00 70.29 ? 12 ARG h O 1 ? ? +42213 ATOM N N . PRO AA 7 12 ? 63.071 -20.058 -1.374 1.00 71.15 ? 13 PRO h N 1 ? ? +42214 ATOM C CA . PRO AA 7 12 ? 63.634 -18.915 -0.642 1.00 71.63 ? 13 PRO h CA 1 ? ? +42215 ATOM C CB . PRO AA 7 12 ? 65.016 -18.703 -1.300 1.00 72.17 ? 13 PRO h CB 1 ? ? +42216 ATOM C CG . PRO AA 7 12 ? 65.336 -20.000 -1.968 1.00 72.19 ? 13 PRO h CG 1 ? ? +42217 ATOM C CD . PRO AA 7 12 ? 64.009 -20.598 -2.373 1.00 71.38 ? 13 PRO h CD 1 ? ? +42218 ATOM C C . PRO AA 7 12 ? 62.768 -17.654 -0.700 1.00 70.78 ? 13 PRO h C 1 ? ? +42219 ATOM O O . PRO AA 7 12 ? 62.703 -16.889 0.260 1.00 71.05 ? 13 PRO h O 1 ? ? +42220 ATOM N N . LEU AA 7 13 ? 62.085 -17.450 -1.827 1.00 69.98 ? 14 LEU h N 1 ? ? +42221 ATOM C CA . LEU AA 7 13 ? 61.268 -16.262 -2.019 1.00 69.33 ? 14 LEU h CA 1 ? ? +42222 ATOM C CB . LEU AA 7 13 ? 60.909 -16.129 -3.505 1.00 68.41 ? 14 LEU h CB 1 ? ? +42223 ATOM C CG . LEU AA 7 13 ? 62.074 -16.095 -4.504 1.00 68.80 ? 14 LEU h CG 1 ? ? +42224 ATOM C CD1 . LEU AA 7 13 ? 61.571 -15.763 -5.878 1.00 67.96 ? 14 LEU h CD1 1 ? ? +42225 ATOM C CD2 . LEU AA 7 13 ? 63.129 -15.116 -4.108 1.00 69.66 ? 14 LEU h CD2 1 ? ? +42226 ATOM C C . LEU AA 7 13 ? 59.976 -16.247 -1.202 1.00 68.83 ? 14 LEU h C 1 ? ? +42227 ATOM O O . LEU AA 7 13 ? 59.262 -15.250 -1.214 1.00 68.53 ? 14 LEU h O 1 ? ? +42228 ATOM N N . ASN AA 7 14 ? 59.651 -17.356 -0.529 1.00 69.01 ? 15 ASN h N 1 ? ? +42229 ATOM C CA . ASN AA 7 14 ? 58.540 -17.360 0.409 1.00 69.00 ? 15 ASN h CA 1 ? ? +42230 ATOM C CB . ASN AA 7 14 ? 57.294 -18.030 -0.175 1.00 68.07 ? 15 ASN h CB 1 ? ? +42231 ATOM C CG . ASN AA 7 14 ? 56.061 -17.835 0.690 1.00 67.40 ? 15 ASN h CG 1 ? ? +42232 ATOM O OD1 . ASN AA 7 14 ? 55.796 -16.739 1.185 1.00 67.26 ? 15 ASN h OD1 1 ? ? +42233 ATOM N ND2 . ASN AA 7 14 ? 55.302 -18.899 0.915 1.00 67.06 ? 15 ASN h ND2 1 ? ? +42234 ATOM C C . ASN AA 7 14 ? 58.956 -18.038 1.706 1.00 70.31 ? 15 ASN h C 1 ? ? +42235 ATOM O O . ASN AA 7 14 ? 58.301 -18.972 2.166 1.00 70.64 ? 15 ASN h O 1 ? ? +42236 ATOM N N . SER AA 7 15 ? 60.037 -17.534 2.298 1.00 71.52 ? 16 SER h N 1 ? ? +42237 ATOM C CA . SER AA 7 15 ? 60.582 -18.138 3.497 1.00 72.70 ? 16 SER h CA 1 ? ? +42238 ATOM C CB . SER AA 7 15 ? 61.927 -18.775 3.170 1.00 73.53 ? 16 SER h CB 1 ? ? +42239 ATOM O OG . SER AA 7 15 ? 62.864 -17.763 2.836 1.00 74.00 ? 16 SER h OG 1 ? ? +42240 ATOM C C . SER AA 7 15 ? 60.761 -17.177 4.670 1.00 73.63 ? 16 SER h C 1 ? ? +42241 ATOM O O . SER AA 7 15 ? 61.177 -17.612 5.737 1.00 74.19 ? 16 SER h O 1 ? ? +42242 ATOM N N . GLU AA 7 16 ? 60.449 -15.887 4.492 1.00 73.80 ? 17 GLU h N 1 ? ? +42243 ATOM C CA . GLU AA 7 16 ? 60.690 -14.926 5.560 1.00 74.58 ? 17 GLU h CA 1 ? ? +42244 ATOM C CB . GLU AA 7 16 ? 61.617 -13.802 5.092 1.00 74.72 ? 17 GLU h CB 1 ? ? +42245 ATOM C CG . GLU AA 7 16 ? 62.920 -14.294 4.510 1.00 75.40 ? 17 GLU h CG 1 ? ? +42246 ATOM C CD . GLU AA 7 16 ? 63.972 -13.201 4.435 1.00 76.16 ? 17 GLU h CD 1 ? ? +42247 ATOM O OE1 . GLU AA 7 16 ? 64.584 -12.891 5.487 1.00 76.93 ? 17 GLU h OE1 1 ? ? +42248 ATOM O OE2 . GLU AA 7 16 ? 64.148 -12.622 3.334 1.00 75.56 ? 17 GLU h OE2 1 ? ? +42249 ATOM C C . GLU AA 7 16 ? 59.389 -14.344 6.108 1.00 74.41 ? 17 GLU h C 1 ? ? +42250 ATOM O O . GLU AA 7 16 ? 59.356 -13.203 6.560 1.00 74.81 ? 17 GLU h O 1 ? ? +42251 ATOM N N . TYR AA 7 17 ? 58.324 -15.150 6.088 1.00 74.16 ? 18 TYR h N 1 ? ? +42252 ATOM C CA . TYR AA 7 17 ? 57.058 -14.740 6.664 1.00 73.95 ? 18 TYR h CA 1 ? ? +42253 ATOM C CB . TYR AA 7 17 ? 56.123 -15.931 6.790 1.00 75.00 ? 18 TYR h CB 1 ? ? +42254 ATOM C CG . TYR AA 7 17 ? 54.787 -15.537 7.384 1.00 77.08 ? 18 TYR h CG 1 ? ? +42255 ATOM C CD1 . TYR AA 7 17 ? 53.883 -14.768 6.664 1.00 77.36 ? 18 TYR h CD1 1 ? ? +42256 ATOM C CD2 . TYR AA 7 17 ? 54.441 -15.902 8.682 1.00 78.70 ? 18 TYR h CD2 1 ? ? +42257 ATOM C CE1 . TYR AA 7 17 ? 52.658 -14.398 7.203 1.00 77.72 ? 18 TYR h CE1 1 ? ? +42258 ATOM C CE2 . TYR AA 7 17 ? 53.218 -15.531 9.235 1.00 78.55 ? 18 TYR h CE2 1 ? ? +42259 ATOM C CZ . TYR AA 7 17 ? 52.332 -14.774 8.491 1.00 78.59 ? 18 TYR h CZ 1 ? ? +42260 ATOM O OH . TYR AA 7 17 ? 51.109 -14.390 8.994 1.00 80.98 ? 18 TYR h OH 1 ? ? +42261 ATOM C C . TYR AA 7 17 ? 57.254 -14.131 8.048 1.00 73.43 ? 18 TYR h C 1 ? ? +42262 ATOM O O . TYR AA 7 17 ? 57.883 -14.738 8.901 1.00 74.74 ? 18 TYR h O 1 ? ? +42263 ATOM N N . GLY AA 7 18 ? 56.719 -12.928 8.259 1.00 72.14 ? 19 GLY h N 1 ? ? +42264 ATOM C CA . GLY AA 7 18 ? 56.673 -12.322 9.580 1.00 71.77 ? 19 GLY h CA 1 ? ? +42265 ATOM C C . GLY AA 7 18 ? 57.937 -11.587 10.022 1.00 72.23 ? 19 GLY h C 1 ? ? +42266 ATOM O O . GLY AA 7 18 ? 57.939 -10.950 11.076 1.00 72.34 ? 19 GLY h O 1 ? ? +42267 ATOM N N . LYS AA 7 19 ? 59.003 -11.659 9.216 1.00 72.09 ? 20 LYS h N 1 ? ? +42268 ATOM C CA . LYS AA 7 19 ? 60.264 -11.020 9.567 1.00 72.94 ? 20 LYS h CA 1 ? ? +42269 ATOM C CB . LYS AA 7 19 ? 61.450 -11.639 8.773 1.00 73.84 ? 20 LYS h CB 1 ? ? +42270 ATOM C CG . LYS AA 7 19 ? 62.806 -11.013 9.111 1.00 75.57 ? 20 LYS h CG 1 ? ? +42271 ATOM C CD . LYS AA 7 19 ? 64.012 -11.869 8.714 1.00 76.74 ? 20 LYS h CD 1 ? ? +42272 ATOM C CE . LYS AA 7 19 ? 65.303 -11.261 9.210 1.00 78.51 ? 20 LYS h CE 1 ? ? +42273 ATOM N NZ . LYS AA 7 19 ? 65.354 -11.174 10.709 1.00 79.64 ? 20 LYS h NZ 1 ? ? +42274 ATOM C C . LYS AA 7 19 ? 60.138 -9.515 9.330 1.00 72.04 ? 20 LYS h C 1 ? ? +42275 ATOM O O . LYS AA 7 19 ? 59.738 -9.088 8.255 1.00 71.41 ? 20 LYS h O 1 ? ? +42276 ATOM N N . VAL AA 7 20 ? 60.474 -8.724 10.357 1.00 72.12 ? 21 VAL h N 1 ? ? +42277 ATOM C CA . VAL AA 7 20 ? 60.362 -7.274 10.315 1.00 71.45 ? 21 VAL h CA 1 ? ? +42278 ATOM C CB . VAL AA 7 20 ? 59.225 -6.753 11.232 1.00 70.89 ? 21 VAL h CB 1 ? ? +42279 ATOM C CG1 . VAL AA 7 20 ? 57.869 -7.237 10.749 1.00 69.70 ? 21 VAL h CG1 1 ? ? +42280 ATOM C CG2 . VAL AA 7 20 ? 59.443 -7.147 12.694 1.00 71.66 ? 21 VAL h CG2 1 ? ? +42281 ATOM C C . VAL AA 7 20 ? 61.692 -6.641 10.710 1.00 72.06 ? 21 VAL h C 1 ? ? +42282 ATOM O O . VAL AA 7 20 ? 62.520 -7.286 11.338 1.00 72.81 ? 21 VAL h O 1 ? ? +42283 ATOM N N . ALA AA 7 21 ? 61.868 -5.373 10.325 1.00 71.71 ? 22 ALA h N 1 ? ? +42284 ATOM C CA . ALA AA 7 21 ? 62.952 -4.537 10.804 1.00 72.57 ? 22 ALA h CA 1 ? ? +42285 ATOM C CB . ALA AA 7 21 ? 63.265 -3.481 9.770 1.00 72.52 ? 22 ALA h CB 1 ? ? +42286 ATOM C C . ALA AA 7 21 ? 62.543 -3.888 12.125 1.00 72.64 ? 22 ALA h C 1 ? ? +42287 ATOM O O . ALA AA 7 21 ? 61.379 -3.537 12.304 1.00 71.97 ? 22 ALA h O 1 ? ? +42288 ATOM N N . PRO AA 7 22 ? 63.462 -3.692 13.097 1.00 73.48 ? 23 PRO h N 1 ? ? +42289 ATOM C CA . PRO AA 7 22 ? 63.074 -3.141 14.398 1.00 73.67 ? 23 PRO h CA 1 ? ? +42290 ATOM C CB . PRO AA 7 22 ? 64.389 -3.167 15.192 1.00 75.01 ? 23 PRO h CB 1 ? ? +42291 ATOM C CG . PRO AA 7 22 ? 65.288 -4.118 14.441 1.00 75.29 ? 23 PRO h CG 1 ? ? +42292 ATOM C CD . PRO AA 7 22 ? 64.904 -3.991 13.013 1.00 74.46 ? 23 PRO h CD 1 ? ? +42293 ATOM C C . PRO AA 7 22 ? 62.490 -1.726 14.343 1.00 73.21 ? 23 PRO h C 1 ? ? +42294 ATOM O O . PRO AA 7 22 ? 62.953 -0.886 13.575 1.00 73.34 ? 23 PRO h O 1 ? ? +42295 ATOM N N . GLY AA 7 23 ? 61.461 -1.479 15.162 1.00 72.61 ? 24 GLY h N 1 ? ? +42296 ATOM C CA . GLY AA 7 23 ? 60.930 -0.140 15.366 1.00 72.27 ? 24 GLY h CA 1 ? ? +42297 ATOM C C . GLY AA 7 23 ? 60.366 0.531 14.114 1.00 71.18 ? 24 GLY h C 1 ? ? +42298 ATOM O O . GLY AA 7 23 ? 59.579 -0.065 13.389 1.00 70.06 ? 24 GLY h O 1 ? ? +42299 ATOM N N . TRP AA 7 24 ? 60.795 1.777 13.879 1.00 71.41 ? 25 TRP h N 1 ? ? +42300 ATOM C CA . TRP AA 7 24 ? 60.340 2.587 12.762 1.00 70.62 ? 25 TRP h CA 1 ? ? +42301 ATOM C CB . TRP AA 7 24 ? 60.507 4.062 13.089 1.00 71.14 ? 25 TRP h CB 1 ? ? +42302 ATOM C CG . TRP AA 7 24 ? 59.628 4.533 14.190 1.00 71.20 ? 25 TRP h CG 1 ? ? +42303 ATOM C CD1 . TRP AA 7 24 ? 59.982 4.760 15.482 1.00 72.15 ? 25 TRP h CD1 1 ? ? +42304 ATOM N NE1 . TRP AA 7 24 ? 58.899 5.206 16.196 1.00 71.78 ? 25 TRP h NE1 1 ? ? +42305 ATOM C CE2 . TRP AA 7 24 ? 57.818 5.297 15.360 1.00 70.63 ? 25 TRP h CE2 1 ? ? +42306 ATOM C CZ2 . TRP AA 7 24 ? 56.512 5.702 15.613 1.00 69.93 ? 25 TRP h CZ2 1 ? ? +42307 ATOM C CH2 . TRP AA 7 24 ? 55.628 5.677 14.561 1.00 68.88 ? 25 TRP h CH2 1 ? ? +42308 ATOM C CZ3 . TRP AA 7 24 ? 56.023 5.268 13.286 1.00 68.52 ? 25 TRP h CZ3 1 ? ? +42309 ATOM C CE3 . TRP AA 7 24 ? 57.315 4.864 13.036 1.00 69.19 ? 25 TRP h CE3 1 ? ? +42310 ATOM C CD2 . TRP AA 7 24 ? 58.242 4.881 14.084 1.00 70.30 ? 25 TRP h CD2 1 ? ? +42311 ATOM C C . TRP AA 7 24 ? 61.056 2.324 11.443 1.00 70.43 ? 25 TRP h C 1 ? ? +42312 ATOM O O . TRP AA 7 24 ? 60.566 2.722 10.389 1.00 69.68 ? 25 TRP h O 1 ? ? +42313 ATOM N N . GLY AA 7 25 ? 62.214 1.663 11.498 1.00 71.04 ? 26 GLY h N 1 ? ? +42314 ATOM C CA . GLY AA 7 25 ? 62.960 1.361 10.289 1.00 71.03 ? 26 GLY h CA 1 ? ? +42315 ATOM C C . GLY AA 7 25 ? 63.009 2.545 9.328 1.00 70.88 ? 26 GLY h C 1 ? ? +42316 ATOM O O . GLY AA 7 25 ? 63.363 3.650 9.723 1.00 71.42 ? 26 GLY h O 1 ? ? +42317 ATOM N N . THR AA 7 26 ? 62.593 2.309 8.079 1.00 70.13 ? 27 THR h N 1 ? ? +42318 ATOM C CA . THR AA 7 26 ? 62.670 3.311 7.027 1.00 70.00 ? 27 THR h CA 1 ? ? +42319 ATOM C CB . THR AA 7 26 ? 62.935 2.592 5.699 1.00 69.52 ? 27 THR h CB 1 ? ? +42320 ATOM O OG1 . THR AA 7 26 ? 62.041 1.471 5.628 1.00 68.49 ? 27 THR h OG1 1 ? ? +42321 ATOM C CG2 . THR AA 7 26 ? 64.408 2.164 5.559 1.00 70.44 ? 27 THR h CG2 1 ? ? +42322 ATOM C C . THR AA 7 26 ? 61.432 4.203 6.899 1.00 69.24 ? 27 THR h C 1 ? ? +42323 ATOM O O . THR AA 7 26 ? 61.225 4.818 5.855 1.00 68.77 ? 27 THR h O 1 ? ? +42324 ATOM N N . THR AA 7 27 ? 60.634 4.289 7.971 1.00 69.13 ? 28 THR h N 1 ? ? +42325 ATOM C CA . THR AA 7 27 ? 59.392 5.048 7.945 1.00 68.46 ? 28 THR h CA 1 ? ? +42326 ATOM C CB . THR AA 7 27 ? 58.590 4.851 9.260 1.00 68.24 ? 28 THR h CB 1 ? ? +42327 ATOM O OG1 . THR AA 7 27 ? 58.233 3.475 9.413 1.00 67.64 ? 28 THR h OG1 1 ? ? +42328 ATOM C CG2 . THR AA 7 27 ? 57.347 5.700 9.308 1.00 67.54 ? 28 THR h CG2 1 ? ? +42329 ATOM C C . THR AA 7 27 ? 59.638 6.532 7.663 1.00 69.01 ? 28 THR h C 1 ? ? +42330 ATOM O O . THR AA 7 27 ? 58.891 7.139 6.899 1.00 68.26 ? 28 THR h O 1 ? ? +42331 ATOM N N . PRO AA 7 28 ? 60.675 7.175 8.249 1.00 70.32 ? 29 PRO h N 1 ? ? +42332 ATOM C CA . PRO AA 7 28 ? 60.955 8.579 7.944 1.00 70.85 ? 29 PRO h CA 1 ? ? +42333 ATOM C CB . PRO AA 7 28 ? 62.220 8.876 8.764 1.00 72.19 ? 29 PRO h CB 1 ? ? +42334 ATOM C CG . PRO AA 7 28 ? 62.259 7.806 9.834 1.00 72.33 ? 29 PRO h CG 1 ? ? +42335 ATOM C CD . PRO AA 7 28 ? 61.628 6.603 9.215 1.00 71.33 ? 29 PRO h CD 1 ? ? +42336 ATOM C C . PRO AA 7 28 ? 61.183 8.797 6.450 1.00 70.71 ? 29 PRO h C 1 ? ? +42337 ATOM O O . PRO AA 7 28 ? 60.606 9.697 5.852 1.00 70.37 ? 29 PRO h O 1 ? ? +42338 ATOM N N . LEU AA 7 29 ? 62.016 7.940 5.849 1.00 71.02 ? 30 LEU h N 1 ? ? +42339 ATOM C CA . LEU AA 7 29 ? 62.302 8.026 4.430 1.00 70.84 ? 30 LEU h CA 1 ? ? +42340 ATOM C CB . LEU AA 7 29 ? 63.336 6.975 4.046 1.00 71.54 ? 30 LEU h CB 1 ? ? +42341 ATOM C CG . LEU AA 7 29 ? 63.847 7.016 2.612 1.00 71.67 ? 30 LEU h CG 1 ? ? +42342 ATOM C CD1 . LEU AA 7 29 ? 64.360 8.408 2.236 1.00 72.35 ? 30 LEU h CD1 1 ? ? +42343 ATOM C CD2 . LEU AA 7 29 ? 64.982 5.999 2.420 1.00 72.37 ? 30 LEU h CD2 1 ? ? +42344 ATOM C C . LEU AA 7 29 ? 61.027 7.842 3.619 1.00 69.37 ? 30 LEU h C 1 ? ? +42345 ATOM O O . LEU AA 7 29 ? 60.767 8.609 2.699 1.00 68.99 ? 30 LEU h O 1 ? ? +42346 ATOM N N . MET AA 7 30 ? 60.222 6.839 3.989 1.00 68.57 ? 31 MET h N 1 ? ? +42347 ATOM C CA . MET AA 7 30 ? 58.943 6.603 3.331 1.00 67.18 ? 31 MET h CA 1 ? ? +42348 ATOM C CB . MET AA 7 30 ? 58.180 5.456 3.990 1.00 66.55 ? 31 MET h CB 1 ? ? +42349 ATOM C CG . MET AA 7 30 ? 56.816 5.232 3.358 1.00 65.45 ? 31 MET h CG 1 ? ? +42350 ATOM S SD . MET AA 7 30 ? 55.807 3.992 4.182 1.00 64.74 ? 31 MET h SD 1 ? ? +42351 ATOM C CE . MET AA 7 30 ? 55.219 4.934 5.528 1.00 64.96 ? 31 MET h CE 1 ? ? +42352 ATOM C C . MET AA 7 30 ? 58.094 7.870 3.351 1.00 66.82 ? 31 MET h C 1 ? ? +42353 ATOM O O . MET AA 7 30 ? 57.481 8.221 2.349 1.00 66.13 ? 31 MET h O 1 ? ? +42354 ATOM N N . ALA AA 7 31 ? 58.071 8.548 4.503 1.00 67.37 ? 32 ALA h N 1 ? ? +42355 ATOM C CA . ALA AA 7 31 ? 57.312 9.775 4.688 1.00 67.26 ? 32 ALA h CA 1 ? ? +42356 ATOM C CB . ALA AA 7 31 ? 57.519 10.308 6.097 1.00 68.02 ? 32 ALA h CB 1 ? ? +42357 ATOM C C . ALA AA 7 31 ? 57.680 10.856 3.678 1.00 67.54 ? 32 ALA h C 1 ? ? +42358 ATOM O O . ALA AA 7 31 ? 56.805 11.512 3.121 1.00 67.00 ? 32 ALA h O 1 ? ? +42359 ATOM N N . VAL AA 7 32 ? 58.984 11.033 3.464 1.00 68.55 ? 33 VAL h N 1 ? ? +42360 ATOM C CA . VAL AA 7 32 ? 59.491 12.013 2.519 1.00 69.01 ? 33 VAL h CA 1 ? ? +42361 ATOM C CB . VAL AA 7 32 ? 61.049 12.057 2.532 1.00 70.06 ? 33 VAL h CB 1 ? ? +42362 ATOM C CG1 . VAL AA 7 32 ? 61.585 12.943 1.414 1.00 70.37 ? 33 VAL h CG1 1 ? ? +42363 ATOM C CG2 . VAL AA 7 32 ? 61.569 12.514 3.893 1.00 70.94 ? 33 VAL h CG2 1 ? ? +42364 ATOM C C . VAL AA 7 32 ? 58.945 11.737 1.120 1.00 68.29 ? 33 VAL h C 1 ? ? +42365 ATOM O O . VAL AA 7 32 ? 58.396 12.631 0.491 1.00 67.87 ? 33 VAL h O 1 ? ? +42366 ATOM N N . PHE AA 7 33 ? 59.095 10.495 0.644 1.00 68.30 ? 34 PHE h N 1 ? ? +42367 ATOM C CA . PHE AA 7 33 ? 58.652 10.125 -0.692 1.00 67.84 ? 34 PHE h CA 1 ? ? +42368 ATOM C CB . PHE AA 7 33 ? 59.040 8.664 -1.034 1.00 67.75 ? 34 PHE h CB 1 ? ? +42369 ATOM C CG . PHE AA 7 33 ? 60.498 8.485 -1.384 1.00 68.91 ? 34 PHE h CG 1 ? ? +42370 ATOM C CD1 . PHE AA 7 33 ? 60.988 8.890 -2.616 1.00 69.21 ? 34 PHE h CD1 1 ? ? +42371 ATOM C CD2 . PHE AA 7 33 ? 61.389 7.954 -0.467 1.00 69.72 ? 34 PHE h CD2 1 ? ? +42372 ATOM C CE1 . PHE AA 7 33 ? 62.339 8.763 -2.919 1.00 70.11 ? 34 PHE h CE1 1 ? ? +42373 ATOM C CE2 . PHE AA 7 33 ? 62.733 7.816 -0.785 1.00 70.67 ? 34 PHE h CE2 1 ? ? +42374 ATOM C CZ . PHE AA 7 33 ? 63.199 8.220 -2.006 1.00 70.84 ? 34 PHE h CZ 1 ? ? +42375 ATOM C C . PHE AA 7 33 ? 57.147 10.339 -0.848 1.00 67.12 ? 34 PHE h C 1 ? ? +42376 ATOM O O . PHE AA 7 33 ? 56.689 10.747 -1.913 1.00 66.80 ? 34 PHE h O 1 ? ? +42377 ATOM N N . MET AA 7 34 ? 56.382 10.058 0.215 1.00 67.08 ? 35 MET h N 1 ? ? +42378 ATOM C CA . MET AA 7 34 ? 54.942 10.292 0.211 1.00 66.40 ? 35 MET h CA 1 ? ? +42379 ATOM C CB . MET AA 7 34 ? 54.307 9.790 1.512 1.00 66.67 ? 35 MET h CB 1 ? ? +42380 ATOM C CG . MET AA 7 34 ? 54.041 8.337 1.536 1.00 66.58 ? 35 MET h CG 1 ? ? +42381 ATOM S SD . MET AA 7 34 ? 53.131 7.862 3.044 1.00 67.14 ? 35 MET h SD 1 ? ? +42382 ATOM C CE . MET AA 7 34 ? 51.438 8.529 2.656 1.00 66.00 ? 35 MET h CE 1 ? ? +42383 ATOM C C . MET AA 7 34 ? 54.643 11.782 0.055 1.00 66.23 ? 35 MET h C 1 ? ? +42384 ATOM O O . MET AA 7 34 ? 53.756 12.164 -0.699 1.00 65.22 ? 35 MET h O 1 ? ? +42385 ATOM N N . GLY AA 7 35 ? 55.405 12.610 0.785 1.00 66.92 ? 36 GLY h N 1 ? ? +42386 ATOM C CA . GLY AA 7 35 ? 55.346 14.056 0.646 1.00 67.18 ? 36 GLY h CA 1 ? ? +42387 ATOM C C . GLY AA 7 35 ? 55.641 14.548 -0.769 1.00 67.12 ? 36 GLY h C 1 ? ? +42388 ATOM O O . GLY AA 7 35 ? 54.811 15.230 -1.365 1.00 66.59 ? 36 GLY h O 1 ? ? +42389 ATOM N N . LEU AA 7 36 ? 56.821 14.189 -1.300 1.00 67.60 ? 37 LEU h N 1 ? ? +42390 ATOM C CA . LEU AA 7 36 ? 57.172 14.512 -2.674 1.00 67.53 ? 37 LEU h CA 1 ? ? +42391 ATOM C CB . LEU AA 7 36 ? 58.479 13.834 -3.104 1.00 68.26 ? 37 LEU h CB 1 ? ? +42392 ATOM C CG . LEU AA 7 36 ? 59.795 14.521 -2.740 1.00 69.68 ? 37 LEU h CG 1 ? ? +42393 ATOM C CD1 . LEU AA 7 36 ? 59.832 15.966 -3.185 1.00 70.04 ? 37 LEU h CD1 1 ? ? +42394 ATOM C CD2 . LEU AA 7 36 ? 60.032 14.464 -1.290 1.00 70.40 ? 37 LEU h CD2 1 ? ? +42395 ATOM C C . LEU AA 7 36 ? 56.066 14.086 -3.644 1.00 66.30 ? 37 LEU h C 1 ? ? +42396 ATOM O O . LEU AA 7 36 ? 55.764 14.814 -4.586 1.00 65.88 ? 37 LEU h O 1 ? ? +42397 ATOM N N . PHE AA 7 37 ? 55.487 12.898 -3.419 1.00 65.67 ? 38 PHE h N 1 ? ? +42398 ATOM C CA . PHE AA 7 37 ? 54.495 12.340 -4.328 1.00 64.88 ? 38 PHE h CA 1 ? ? +42399 ATOM C CB . PHE AA 7 37 ? 54.210 10.858 -4.006 1.00 64.36 ? 38 PHE h CB 1 ? ? +42400 ATOM C CG . PHE AA 7 37 ? 53.320 10.137 -5.011 1.00 63.37 ? 38 PHE h CG 1 ? ? +42401 ATOM C CD1 . PHE AA 7 37 ? 53.659 10.082 -6.356 1.00 63.26 ? 38 PHE h CD1 1 ? ? +42402 ATOM C CD2 . PHE AA 7 37 ? 52.147 9.523 -4.607 1.00 62.61 ? 38 PHE h CD2 1 ? ? +42403 ATOM C CE1 . PHE AA 7 37 ? 52.836 9.437 -7.272 1.00 62.37 ? 38 PHE h CE1 1 ? ? +42404 ATOM C CE2 . PHE AA 7 37 ? 51.330 8.872 -5.529 1.00 61.78 ? 38 PHE h CE2 1 ? ? +42405 ATOM C CZ . PHE AA 7 37 ? 51.682 8.829 -6.852 1.00 61.63 ? 38 PHE h CZ 1 ? ? +42406 ATOM C C . PHE AA 7 37 ? 53.209 13.164 -4.296 1.00 64.46 ? 38 PHE h C 1 ? ? +42407 ATOM O O . PHE AA 7 37 ? 52.566 13.358 -5.321 1.00 63.95 ? 38 PHE h O 1 ? ? +42408 ATOM N N . LEU AA 7 38 ? 52.854 13.662 -3.111 1.00 64.91 ? 39 LEU h N 1 ? ? +42409 ATOM C CA . LEU AA 7 38 ? 51.695 14.522 -2.966 1.00 64.74 ? 39 LEU h CA 1 ? ? +42410 ATOM C CB . LEU AA 7 38 ? 51.460 14.863 -1.490 1.00 65.87 ? 39 LEU h CB 1 ? ? +42411 ATOM C CG . LEU AA 7 38 ? 50.120 15.583 -1.229 1.00 66.21 ? 39 LEU h CG 1 ? ? +42412 ATOM C CD1 . LEU AA 7 38 ? 49.720 15.494 0.232 1.00 66.68 ? 39 LEU h CD1 1 ? ? +42413 ATOM C CD2 . LEU AA 7 38 ? 50.177 17.066 -1.600 1.00 66.93 ? 39 LEU h CD2 1 ? ? +42414 ATOM C C . LEU AA 7 38 ? 51.863 15.798 -3.786 1.00 64.48 ? 39 LEU h C 1 ? ? +42415 ATOM O O . LEU AA 7 38 ? 50.953 16.181 -4.516 1.00 63.87 ? 39 LEU h O 1 ? ? +42416 ATOM N N . VAL AA 7 39 ? 53.031 16.443 -3.664 1.00 64.86 ? 40 VAL h N 1 ? ? +42417 ATOM C CA . VAL AA 7 39 ? 53.324 17.655 -4.417 1.00 64.89 ? 40 VAL h CA 1 ? ? +42418 ATOM C CB . VAL AA 7 39 ? 54.720 18.252 -4.036 1.00 66.05 ? 40 VAL h CB 1 ? ? +42419 ATOM C CG1 . VAL AA 7 39 ? 55.038 19.510 -4.840 1.00 66.48 ? 40 VAL h CG1 1 ? ? +42420 ATOM C CG2 . VAL AA 7 39 ? 54.812 18.552 -2.550 1.00 66.56 ? 40 VAL h CG2 1 ? ? +42421 ATOM C C . VAL AA 7 39 ? 53.228 17.378 -5.917 1.00 64.09 ? 40 VAL h C 1 ? ? +42422 ATOM O O . VAL AA 7 39 ? 52.688 18.184 -6.672 1.00 63.73 ? 40 VAL h O 1 ? ? +42423 ATOM N N . PHE AA 7 40 ? 53.752 16.227 -6.342 1.00 63.71 ? 41 PHE h N 1 ? ? +42424 ATOM C CA . PHE AA 7 40 ? 53.714 15.847 -7.740 1.00 63.20 ? 41 PHE h CA 1 ? ? +42425 ATOM C CB . PHE AA 7 40 ? 54.448 14.520 -7.927 1.00 63.24 ? 41 PHE h CB 1 ? ? +42426 ATOM C CG . PHE AA 7 40 ? 54.350 13.971 -9.314 1.00 62.87 ? 41 PHE h CG 1 ? ? +42427 ATOM C CD1 . PHE AA 7 40 ? 54.977 14.600 -10.369 1.00 63.41 ? 41 PHE h CD1 1 ? ? +42428 ATOM C CD2 . PHE AA 7 40 ? 53.602 12.843 -9.575 1.00 62.13 ? 41 PHE h CD2 1 ? ? +42429 ATOM C CE1 . PHE AA 7 40 ? 54.882 14.092 -11.657 1.00 63.04 ? 41 PHE h CE1 1 ? ? +42430 ATOM C CE2 . PHE AA 7 40 ? 53.487 12.345 -10.869 1.00 61.75 ? 41 PHE h CE2 1 ? ? +42431 ATOM C CZ . PHE AA 7 40 ? 54.124 12.972 -11.900 1.00 62.23 ? 41 PHE h CZ 1 ? ? +42432 ATOM C C . PHE AA 7 40 ? 52.270 15.766 -8.234 1.00 62.10 ? 41 PHE h C 1 ? ? +42433 ATOM O O . PHE AA 7 40 ? 51.921 16.353 -9.252 1.00 61.73 ? 41 PHE h O 1 ? ? +42434 ATOM N N . LEU AA 7 41 ? 51.426 15.045 -7.490 1.00 61.52 ? 42 LEU h N 1 ? ? +42435 ATOM C CA . LEU AA 7 41 ? 50.021 14.918 -7.839 1.00 60.70 ? 42 LEU h CA 1 ? ? +42436 ATOM C CB . LEU AA 7 41 ? 49.304 14.021 -6.836 1.00 60.38 ? 42 LEU h CB 1 ? ? +42437 ATOM C CG . LEU AA 7 41 ? 49.658 12.548 -6.898 1.00 60.31 ? 42 LEU h CG 1 ? ? +42438 ATOM C CD1 . LEU AA 7 41 ? 48.974 11.791 -5.794 1.00 60.01 ? 42 LEU h CD1 1 ? ? +42439 ATOM C CD2 . LEU AA 7 41 ? 49.257 11.944 -8.225 1.00 59.70 ? 42 LEU h CD2 1 ? ? +42440 ATOM C C . LEU AA 7 41 ? 49.312 16.267 -7.895 1.00 60.56 ? 42 LEU h C 1 ? ? +42441 ATOM O O . LEU AA 7 41 ? 48.500 16.496 -8.779 1.00 59.97 ? 42 LEU h O 1 ? ? +42442 ATOM N N . LEU AA 7 42 ? 49.633 17.148 -6.946 1.00 61.19 ? 43 LEU h N 1 ? ? +42443 ATOM C CA . LEU AA 7 42 ? 49.088 18.495 -6.931 1.00 61.30 ? 43 LEU h CA 1 ? ? +42444 ATOM C CB . LEU AA 7 42 ? 49.610 19.223 -5.698 1.00 62.18 ? 43 LEU h CB 1 ? ? +42445 ATOM C CG . LEU AA 7 42 ? 48.637 20.078 -4.952 1.00 62.23 ? 43 LEU h CG 1 ? ? +42446 ATOM C CD1 . LEU AA 7 42 ? 47.423 19.285 -4.452 1.00 61.50 ? 43 LEU h CD1 1 ? ? +42447 ATOM C CD2 . LEU AA 7 42 ? 49.296 20.695 -3.780 1.00 63.11 ? 43 LEU h CD2 1 ? ? +42448 ATOM C C . LEU AA 7 42 ? 49.457 19.262 -8.202 1.00 61.49 ? 43 LEU h C 1 ? ? +42449 ATOM O O . LEU AA 7 42 ? 48.608 19.924 -8.791 1.00 61.13 ? 43 LEU h O 1 ? ? +42450 ATOM N N . ILE AA 7 43 ? 50.730 19.164 -8.616 1.00 62.01 ? 44 ILE h N 1 ? ? +42451 ATOM C CA . ILE AA 7 43 ? 51.200 19.833 -9.819 1.00 62.18 ? 44 ILE h CA 1 ? ? +42452 ATOM C CB . ILE AA 7 43 ? 52.738 19.642 -10.010 1.00 62.93 ? 44 ILE h CB 1 ? ? +42453 ATOM C CG1 . ILE AA 7 43 ? 53.525 20.374 -8.938 1.00 63.87 ? 44 ILE h CG1 1 ? ? +42454 ATOM C CG2 . ILE AA 7 43 ? 53.157 20.081 -11.410 1.00 63.12 ? 44 ILE h CG2 1 ? ? +42455 ATOM C CD1 . ILE AA 7 43 ? 55.104 20.062 -8.929 1.00 64.81 ? 44 ILE h CD1 1 ? ? +42456 ATOM C C . ILE AA 7 43 ? 50.425 19.378 -11.058 1.00 61.25 ? 44 ILE h C 1 ? ? +42457 ATOM O O . ILE AA 7 43 ? 49.886 20.201 -11.791 1.00 60.99 ? 44 ILE h O 1 ? ? +42458 ATOM N N . ILE AA 7 44 ? 50.400 18.066 -11.304 1.00 60.75 ? 45 ILE h N 1 ? ? +42459 ATOM C CA . ILE AA 7 44 ? 49.821 17.545 -12.532 1.00 60.18 ? 45 ILE h CA 1 ? ? +42460 ATOM C CB . ILE AA 7 44 ? 50.178 16.048 -12.779 1.00 59.95 ? 45 ILE h CB 1 ? ? +42461 ATOM C CG1 . ILE AA 7 44 ? 49.516 15.130 -11.734 1.00 59.51 ? 45 ILE h CG1 1 ? ? +42462 ATOM C CG2 . ILE AA 7 44 ? 51.692 15.818 -12.866 1.00 60.75 ? 45 ILE h CG2 1 ? ? +42463 ATOM C CD1 . ILE AA 7 44 ? 49.732 13.687 -11.958 1.00 59.19 ? 45 ILE h CD1 1 ? ? +42464 ATOM C C . ILE AA 7 44 ? 48.303 17.761 -12.559 1.00 59.34 ? 45 ILE h C 1 ? ? +42465 ATOM O O . ILE AA 7 44 ? 47.717 17.883 -13.634 1.00 58.83 ? 45 ILE h O 1 ? ? +42466 ATOM N N . LEU AA 7 45 ? 47.688 17.812 -11.369 1.00 59.18 ? 46 LEU h N 1 ? ? +42467 ATOM C CA . LEU AA 7 45 ? 46.277 18.120 -11.226 1.00 58.52 ? 46 LEU h CA 1 ? ? +42468 ATOM C CB . LEU AA 7 45 ? 45.787 17.855 -9.796 1.00 58.34 ? 46 LEU h CB 1 ? ? +42469 ATOM C CG . LEU AA 7 45 ? 44.390 18.447 -9.451 1.00 57.88 ? 46 LEU h CG 1 ? ? +42470 ATOM C CD1 . LEU AA 7 45 ? 43.315 17.812 -10.249 1.00 56.98 ? 46 LEU h CD1 1 ? ? +42471 ATOM C CD2 . LEU AA 7 45 ? 44.045 18.277 -8.002 1.00 57.89 ? 46 LEU h CD2 1 ? ? +42472 ATOM C C . LEU AA 7 45 ? 46.024 19.579 -11.594 1.00 58.84 ? 46 LEU h C 1 ? ? +42473 ATOM O O . LEU AA 7 45 ? 45.089 19.883 -12.332 1.00 58.46 ? 46 LEU h O 1 ? ? +42474 ATOM N N . GLU AA 7 46 ? 46.839 20.483 -11.050 1.00 59.61 ? 47 GLU h N 1 ? ? +42475 ATOM C CA . GLU AA 7 46 ? 46.607 21.901 -11.266 1.00 59.97 ? 47 GLU h CA 1 ? ? +42476 ATOM C CB . GLU AA 7 46 ? 47.316 22.734 -10.185 1.00 60.80 ? 47 GLU h CB 1 ? ? +42477 ATOM C CG . GLU AA 7 46 ? 46.701 22.472 -8.813 1.00 60.59 ? 47 GLU h CG 1 ? ? +42478 ATOM C CD . GLU AA 7 46 ? 47.222 23.277 -7.650 1.00 61.39 ? 47 GLU h CD 1 ? ? +42479 ATOM O OE1 . GLU AA 7 46 ? 47.834 24.333 -7.892 1.00 62.23 ? 47 GLU h OE1 1 ? ? +42480 ATOM O OE2 . GLU AA 7 46 ? 47.042 22.845 -6.492 1.00 61.34 ? 47 GLU h OE2 1 ? ? +42481 ATOM C C . GLU AA 7 46 ? 46.975 22.343 -12.682 1.00 60.20 ? 47 GLU h C 1 ? ? +42482 ATOM O O . GLU AA 7 46 ? 46.483 23.367 -13.148 1.00 60.32 ? 47 GLU h O 1 ? ? +42483 ATOM N N . ILE AA 7 47 ? 47.815 21.558 -13.372 1.00 60.32 ? 48 ILE h N 1 ? ? +42484 ATOM C CA . ILE AA 7 47 ? 48.111 21.780 -14.781 1.00 60.37 ? 48 ILE h CA 1 ? ? +42485 ATOM C CB . ILE AA 7 47 ? 49.368 20.995 -15.243 1.00 60.64 ? 48 ILE h CB 1 ? ? +42486 ATOM C CG1 . ILE AA 7 47 ? 50.649 21.571 -14.646 1.00 61.72 ? 48 ILE h CG1 1 ? ? +42487 ATOM C CG2 . ILE AA 7 47 ? 49.441 20.956 -16.762 1.00 60.50 ? 48 ILE h CG2 1 ? ? +42488 ATOM C CD1 . ILE AA 7 47 ? 51.942 20.640 -14.824 1.00 62.10 ? 48 ILE h CD1 1 ? ? +42489 ATOM C C . ILE AA 7 47 ? 46.884 21.398 -15.609 1.00 59.47 ? 48 ILE h C 1 ? ? +42490 ATOM O O . ILE AA 7 47 ? 46.392 22.173 -16.420 1.00 59.48 ? 48 ILE h O 1 ? ? +42491 ATOM N N . TYR AA 7 48 ? 46.403 20.175 -15.424 1.00 58.79 ? 49 TYR h N 1 ? ? +42492 ATOM C CA . TYR AA 7 48 ? 45.165 19.764 -16.072 1.00 58.04 ? 49 TYR h CA 1 ? ? +42493 ATOM C CB . TYR AA 7 48 ? 44.781 18.369 -15.593 1.00 57.38 ? 49 TYR h CB 1 ? ? +42494 ATOM C CG . TYR AA 7 48 ? 44.165 17.489 -16.644 1.00 56.66 ? 49 TYR h CG 1 ? ? +42495 ATOM C CD1 . TYR AA 7 48 ? 43.205 17.981 -17.513 1.00 56.29 ? 49 TYR h CD1 1 ? ? +42496 ATOM C CD2 . TYR AA 7 48 ? 44.496 16.147 -16.735 1.00 56.38 ? 49 TYR h CD2 1 ? ? +42497 ATOM C CE1 . TYR AA 7 48 ? 42.591 17.165 -18.453 1.00 55.65 ? 49 TYR h CE1 1 ? ? +42498 ATOM C CE2 . TYR AA 7 48 ? 43.891 15.314 -17.673 1.00 55.76 ? 49 TYR h CE2 1 ? ? +42499 ATOM C CZ . TYR AA 7 48 ? 42.930 15.828 -18.532 1.00 55.38 ? 49 TYR h CZ 1 ? ? +42500 ATOM O OH . TYR AA 7 48 ? 42.296 15.035 -19.469 1.00 54.69 ? 49 TYR h OH 1 ? ? +42501 ATOM C C . TYR AA 7 48 ? 44.013 20.740 -15.813 1.00 57.79 ? 49 TYR h C 1 ? ? +42502 ATOM O O . TYR AA 7 48 ? 43.208 21.002 -16.699 1.00 57.44 ? 49 TYR h O 1 ? ? +42503 ATOM N N . ASN AA 7 49 ? 43.962 21.300 -14.600 1.00 58.10 ? 50 ASN h N 1 ? ? +42504 ATOM C CA . ASN AA 7 49 ? 42.901 22.210 -14.200 1.00 57.96 ? 50 ASN h CA 1 ? ? +42505 ATOM C CB . ASN AA 7 49 ? 42.828 22.248 -12.672 1.00 58.11 ? 50 ASN h CB 1 ? ? +42506 ATOM C CG . ASN AA 7 49 ? 41.541 22.856 -12.139 1.00 57.72 ? 50 ASN h CG 1 ? ? +42507 ATOM O OD1 . ASN AA 7 49 ? 41.530 23.885 -11.476 1.00 58.24 ? 50 ASN h OD1 1 ? ? +42508 ATOM N ND2 . ASN AA 7 49 ? 40.439 22.234 -12.408 1.00 56.88 ? 50 ASN h ND2 1 ? ? +42509 ATOM C C . ASN AA 7 49 ? 43.026 23.652 -14.690 1.00 58.61 ? 50 ASN h C 1 ? ? +42510 ATOM O O . ASN AA 7 49 ? 42.077 24.415 -14.555 1.00 58.41 ? 50 ASN h O 1 ? ? +42511 ATOM N N . SER AA 7 50 ? 44.210 24.036 -15.190 1.00 59.43 ? 51 SER h N 1 ? ? +42512 ATOM C CA . SER AA 7 50 ? 44.525 25.423 -15.509 1.00 60.20 ? 51 SER h CA 1 ? ? +42513 ATOM C CB . SER AA 7 50 ? 43.546 26.002 -16.532 1.00 59.87 ? 51 SER h CB 1 ? ? +42514 ATOM O OG . SER AA 7 50 ? 43.604 25.275 -17.739 1.00 59.50 ? 51 SER h OG 1 ? ? +42515 ATOM C C . SER AA 7 50 ? 44.570 26.356 -14.299 1.00 60.86 ? 51 SER h C 1 ? ? +42516 ATOM O O . SER AA 7 50 ? 44.398 27.566 -14.438 1.00 61.31 ? 51 SER h O 1 ? ? +42517 ATOM N N . THR AA 7 51 ? 44.811 25.793 -13.112 1.00 61.04 ? 52 THR h N 1 ? ? +42518 ATOM C CA . THR AA 7 51 ? 45.173 26.589 -11.952 1.00 61.91 ? 52 THR h CA 1 ? ? +42519 ATOM C CB . THR AA 7 51 ? 44.733 25.883 -10.669 1.00 61.53 ? 52 THR h CB 1 ? ? +42520 ATOM O OG1 . THR AA 7 51 ? 43.301 25.845 -10.596 1.00 60.69 ? 52 THR h OG1 1 ? ? +42521 ATOM C CG2 . THR AA 7 51 ? 45.307 26.564 -9.417 1.00 62.26 ? 52 THR h CG2 1 ? ? +42522 ATOM C C . THR AA 7 51 ? 46.681 26.878 -11.976 1.00 63.11 ? 52 THR h C 1 ? ? +42523 ATOM O O . THR AA 7 51 ? 47.129 27.923 -11.511 1.00 63.85 ? 52 THR h O 1 ? ? +42524 ATOM N N . LEU AA 7 52 ? 47.465 25.942 -12.520 1.00 63.38 ? 53 LEU h N 1 ? ? +42525 ATOM C CA . LEU AA 7 52 ? 48.881 26.168 -12.745 1.00 64.69 ? 53 LEU h CA 1 ? ? +42526 ATOM C CB . LEU AA 7 52 ? 49.721 25.040 -12.109 1.00 64.84 ? 53 LEU h CB 1 ? ? +42527 ATOM C CG . LEU AA 7 52 ? 51.218 25.144 -12.250 1.00 65.85 ? 53 LEU h CG 1 ? ? +42528 ATOM C CD1 . LEU AA 7 52 ? 51.761 26.456 -11.691 1.00 66.89 ? 53 LEU h CD1 1 ? ? +42529 ATOM C CD2 . LEU AA 7 52 ? 51.896 24.007 -11.541 1.00 65.96 ? 53 LEU h CD2 1 ? ? +42530 ATOM C C . LEU AA 7 52 ? 49.087 26.254 -14.253 1.00 65.07 ? 53 LEU h C 1 ? ? +42531 ATOM O O . LEU AA 7 52 ? 48.700 25.338 -14.974 1.00 64.67 ? 53 LEU h O 1 ? ? +42532 ATOM N N . ILE AA 7 53 ? 49.644 27.385 -14.705 1.00 66.16 ? 54 ILE h N 1 ? ? +42533 ATOM C CA . ILE AA 7 53 ? 49.858 27.663 -16.113 1.00 66.62 ? 54 ILE h CA 1 ? ? +42534 ATOM C CB . ILE AA 7 53 ? 48.985 28.871 -16.557 1.00 66.68 ? 54 ILE h CB 1 ? ? +42535 ATOM C CG1 . ILE AA 7 53 ? 47.483 28.630 -16.269 1.00 65.83 ? 54 ILE h CG1 1 ? ? +42536 ATOM C CG2 . ILE AA 7 53 ? 49.193 29.200 -18.031 1.00 66.86 ? 54 ILE h CG2 1 ? ? +42537 ATOM C CD1 . ILE AA 7 53 ? 46.650 29.884 -16.290 1.00 66.04 ? 54 ILE h CD1 1 ? ? +42538 ATOM C C . ILE AA 7 53 ? 51.347 27.913 -16.341 1.00 68.05 ? 54 ILE h C 1 ? ? +42539 ATOM O O . ILE AA 7 53 ? 51.923 28.836 -15.769 1.00 68.74 ? 54 ILE h O 1 ? ? +42540 ATOM N N . LEU AA 7 54 ? 51.952 27.079 -17.190 1.00 68.59 ? 55 LEU h N 1 ? ? +42541 ATOM C CA . LEU AA 7 54 ? 53.383 27.104 -17.444 1.00 69.91 ? 55 LEU h CA 1 ? ? +42542 ATOM C CB . LEU AA 7 54 ? 53.985 25.712 -17.248 1.00 69.72 ? 55 LEU h CB 1 ? ? +42543 ATOM C CG . LEU AA 7 54 ? 53.775 25.089 -15.869 1.00 69.60 ? 55 LEU h CG 1 ? ? +42544 ATOM C CD1 . LEU AA 7 54 ? 54.465 23.753 -15.766 1.00 69.62 ? 55 LEU h CD1 1 ? ? +42545 ATOM C CD2 . LEU AA 7 54 ? 54.269 25.996 -14.764 1.00 70.39 ? 55 LEU h CD2 1 ? ? +42546 ATOM C C . LEU AA 7 54 ? 53.664 27.573 -18.865 1.00 70.80 ? 55 LEU h C 1 ? ? +42547 ATOM O O . LEU AA 7 54 ? 52.857 27.362 -19.766 1.00 69.69 ? 55 LEU h O 1 ? ? +42548 ATOM N N . ASP AA 7 55 ? 54.829 28.210 -19.047 1.00 72.90 ? 56 ASP h N 1 ? ? +42549 ATOM C CA . ASP AA 7 55 ? 55.265 28.653 -20.360 1.00 74.08 ? 56 ASP h CA 1 ? ? +42550 ATOM C CB . ASP AA 7 55 ? 56.587 29.423 -20.283 1.00 76.10 ? 56 ASP h CB 1 ? ? +42551 ATOM C CG . ASP AA 7 55 ? 56.353 30.870 -19.962 1.00 77.60 ? 56 ASP h CG 1 ? ? +42552 ATOM O OD1 . ASP AA 7 55 ? 55.436 31.472 -20.579 1.00 77.99 ? 56 ASP h OD1 1 ? ? +42553 ATOM O OD2 . ASP AA 7 55 ? 57.078 31.411 -19.086 1.00 79.19 ? 56 ASP h OD2 1 ? ? +42554 ATOM C C . ASP AA 7 55 ? 55.429 27.479 -21.317 1.00 73.64 ? 56 ASP h C 1 ? ? +42555 ATOM O O . ASP AA 7 55 ? 56.073 26.489 -20.982 1.00 73.50 ? 56 ASP h O 1 ? ? +42556 ATOM N N . GLY AA 7 56 ? 54.830 27.608 -22.505 1.00 73.48 ? 57 GLY h N 1 ? ? +42557 ATOM C CA . GLY AA 7 56 ? 54.902 26.579 -23.526 1.00 73.34 ? 57 GLY h CA 1 ? ? +42558 ATOM C C . GLY AA 7 56 ? 54.102 25.314 -23.222 1.00 72.70 ? 57 GLY h C 1 ? ? +42559 ATOM O O . GLY AA 7 56 ? 54.255 24.310 -23.909 1.00 72.68 ? 57 GLY h O 1 ? ? +42560 ATOM N N . VAL AA 7 57 ? 53.243 25.355 -22.197 1.00 72.65 ? 58 VAL h N 1 ? ? +42561 ATOM C CA . VAL AA 7 57 ? 52.420 24.206 -21.857 1.00 71.78 ? 58 VAL h CA 1 ? ? +42562 ATOM C CB . VAL AA 7 57 ? 52.658 23.678 -20.433 1.00 71.49 ? 58 VAL h CB 1 ? ? +42563 ATOM C CG1 . VAL AA 7 57 ? 51.701 22.537 -20.089 1.00 70.17 ? 58 VAL h CG1 1 ? ? +42564 ATOM C CG2 . VAL AA 7 57 ? 54.118 23.245 -20.249 1.00 72.27 ? 58 VAL h CG2 1 ? ? +42565 ATOM C C . VAL AA 7 57 ? 50.971 24.608 -22.082 1.00 71.69 ? 58 VAL h C 1 ? ? +42566 ATOM O O . VAL AA 7 57 ? 50.338 25.187 -21.204 1.00 71.50 ? 58 VAL h O 1 ? ? +42567 ATOM N N . ASN AA 7 58 ? 50.481 24.274 -23.280 1.00 72.18 ? 59 ASN h N 1 ? ? +42568 ATOM C CA . ASN AA 7 58 ? 49.149 24.620 -23.725 1.00 72.67 ? 59 ASN h CA 1 ? ? +42569 ATOM C CB . ASN AA 7 58 ? 49.216 25.109 -25.168 1.00 74.09 ? 59 ASN h CB 1 ? ? +42570 ATOM C CG . ASN AA 7 58 ? 47.863 25.458 -25.718 1.00 75.32 ? 59 ASN h CG 1 ? ? +42571 ATOM O OD1 . ASN AA 7 58 ? 47.014 26.033 -25.025 1.00 76.47 ? 59 ASN h OD1 1 ? ? +42572 ATOM N ND2 . ASN AA 7 58 ? 47.595 25.078 -26.959 1.00 76.27 ? 59 ASN h ND2 1 ? ? +42573 ATOM C C . ASN AA 7 58 ? 48.213 23.420 -23.561 1.00 71.75 ? 59 ASN h C 1 ? ? +42574 ATOM O O . ASN AA 7 58 ? 48.251 22.473 -24.347 1.00 70.87 ? 59 ASN h O 1 ? ? +42575 ATOM N N . VAL AA 7 59 ? 47.374 23.481 -22.519 1.00 71.11 ? 60 VAL h N 1 ? ? +42576 ATOM C CA . VAL AA 7 59 ? 46.571 22.348 -22.109 1.00 69.98 ? 60 VAL h CA 1 ? ? +42577 ATOM C CB . VAL AA 7 59 ? 46.289 22.371 -20.604 1.00 69.53 ? 60 VAL h CB 1 ? ? +42578 ATOM C CG1 . VAL AA 7 59 ? 45.366 21.220 -20.195 1.00 68.51 ? 60 VAL h CG1 1 ? ? +42579 ATOM C CG2 . VAL AA 7 59 ? 47.594 22.327 -19.818 1.00 70.14 ? 60 VAL h CG2 1 ? ? +42580 ATOM C C . VAL AA 7 59 ? 45.313 22.345 -22.967 1.00 70.17 ? 60 VAL h C 1 ? ? +42581 ATOM O O . VAL AA 7 59 ? 44.262 22.838 -22.564 1.00 69.96 ? 60 VAL h O 1 ? ? +42582 ATOM N N . SER AA 7 60 ? 45.462 21.762 -24.159 1.00 70.65 ? 61 SER h N 1 ? ? +42583 ATOM C CA . SER AA 7 60 ? 44.453 21.797 -25.195 1.00 70.67 ? 61 SER h CA 1 ? ? +42584 ATOM C CB . SER AA 7 60 ? 44.434 23.161 -25.869 1.00 71.61 ? 61 SER h CB 1 ? ? +42585 ATOM O OG . SER AA 7 60 ? 43.479 23.171 -26.917 1.00 72.20 ? 61 SER h OG 1 ? ? +42586 ATOM C C . SER AA 7 60 ? 44.754 20.712 -26.218 1.00 70.85 ? 61 SER h C 1 ? ? +42587 ATOM O O . SER AA 7 60 ? 45.880 20.249 -26.314 1.00 71.29 ? 61 SER h O 1 ? ? +42588 ATOM N N . TRP AA 7 61 ? 43.737 20.318 -26.982 1.00 71.69 ? 62 TRP h N 1 ? ? +42589 ATOM C CA . TRP AA 7 61 ? 43.933 19.458 -28.136 1.00 72.74 ? 62 TRP h CA 1 ? ? +42590 ATOM C CB . TRP AA 7 61 ? 42.609 19.216 -28.868 1.00 70.79 ? 62 TRP h CB 1 ? ? +42591 ATOM C CG . TRP AA 7 61 ? 41.588 18.428 -28.116 1.00 67.94 ? 62 TRP h CG 1 ? ? +42592 ATOM C CD1 . TRP AA 7 61 ? 40.504 18.917 -27.468 1.00 66.89 ? 62 TRP h CD1 1 ? ? +42593 ATOM N NE1 . TRP AA 7 61 ? 39.774 17.889 -26.926 1.00 66.48 ? 62 TRP h NE1 1 ? ? +42594 ATOM C CE2 . TRP AA 7 61 ? 40.382 16.702 -27.225 1.00 66.17 ? 62 TRP h CE2 1 ? ? +42595 ATOM C CZ2 . TRP AA 7 61 ? 40.019 15.388 -26.904 1.00 65.27 ? 62 TRP h CZ2 1 ? ? +42596 ATOM C CH2 . TRP AA 7 61 ? 40.841 14.381 -27.355 1.00 65.35 ? 62 TRP h CH2 1 ? ? +42597 ATOM C CZ3 . TRP AA 7 61 ? 41.997 14.660 -28.100 1.00 65.51 ? 62 TRP h CZ3 1 ? ? +42598 ATOM C CE3 . TRP AA 7 61 ? 42.345 15.954 -28.419 1.00 65.94 ? 62 TRP h CE3 1 ? ? +42599 ATOM C CD2 . TRP AA 7 61 ? 41.531 17.005 -27.982 1.00 66.52 ? 62 TRP h CD2 1 ? ? +42600 ATOM C C . TRP AA 7 61 ? 44.925 20.098 -29.100 1.00 76.59 ? 62 TRP h C 1 ? ? +42601 ATOM O O . TRP AA 7 61 ? 45.659 19.397 -29.786 1.00 78.30 ? 62 TRP h O 1 ? ? +42602 ATOM N N . LYS AA 7 62 ? 44.944 21.437 -29.128 1.00 81.52 ? 63 LYS h N 1 ? ? +42603 ATOM C CA . LYS AA 7 62 ? 45.815 22.189 -30.019 1.00 86.82 ? 63 LYS h CA 1 ? ? +42604 ATOM C CB . LYS AA 7 62 ? 45.358 23.665 -30.040 1.00 88.96 ? 63 LYS h CB 1 ? ? +42605 ATOM C CG . LYS AA 7 62 ? 43.966 23.864 -30.662 1.00 89.89 ? 63 LYS h CG 1 ? ? +42606 ATOM C CD . LYS AA 7 62 ? 43.416 25.285 -30.502 1.00 92.63 ? 63 LYS h CD 1 ? ? +42607 ATOM C CE . LYS AA 7 62 ? 44.094 26.327 -31.383 1.00 96.31 ? 63 LYS h CE 1 ? ? +42608 ATOM N NZ . LYS AA 7 62 ? 43.826 26.099 -32.834 1.00 97.05 ? 63 LYS h NZ 1 ? ? +42609 ATOM C C . LYS AA 7 62 ? 47.302 22.083 -29.679 1.00 90.56 ? 63 LYS h C 1 ? ? +42610 ATOM O O . LYS AA 7 62 ? 48.114 22.827 -30.228 1.00 95.09 ? 63 LYS h O 1 ? ? +42611 ATOM N N . ALA AA 7 63 ? 47.660 21.151 -28.786 1.00 93.17 ? 64 ALA h N 1 ? ? +42612 ATOM C CA . ALA AA 7 63 ? 49.050 20.785 -28.569 1.00 96.31 ? 64 ALA h CA 1 ? ? +42613 ATOM C CB . ALA AA 7 63 ? 49.277 20.446 -27.110 1.00 95.74 ? 64 ALA h CB 1 ? ? +42614 ATOM C C . ALA AA 7 63 ? 49.492 19.621 -29.457 1.00 99.48 ? 64 ALA h C 1 ? ? +42615 ATOM O O . ALA AA 7 63 ? 50.679 19.282 -29.464 1.00 101.25 ? 64 ALA h O 1 ? ? +42616 ATOM N N . LEU AA 7 64 ? 48.536 19.057 -30.223 1.00 100.11 ? 65 LEU h N 1 ? ? +42617 ATOM C CA . LEU AA 7 64 ? 48.774 17.913 -31.100 1.00 100.67 ? 65 LEU h CA 1 ? ? +42618 ATOM C CB . LEU AA 7 64 ? 47.440 17.133 -31.337 1.00 100.70 ? 65 LEU h CB 1 ? ? +42619 ATOM C CG . LEU AA 7 64 ? 46.906 16.138 -30.241 1.00 100.35 ? 65 LEU h CG 1 ? ? +42620 ATOM C CD1 . LEU AA 7 64 ? 47.535 14.748 -30.357 1.00 99.73 ? 65 LEU h CD1 1 ? ? +42621 ATOM C CD2 . LEU AA 7 64 ? 47.140 16.650 -28.849 1.00 100.41 ? 65 LEU h CD2 1 ? ? +42622 ATOM C C . LEU AA 7 64 ? 49.402 18.353 -32.490 1.00 100.54 ? 65 LEU h C 1 ? ? +42623 ATOM O O . LEU AA 7 64 ? 49.829 19.506 -32.656 1.00 98.70 ? 65 LEU h O 1 ? ? +42624 ATOM O OXT . LEU AA 7 64 ? 49.489 17.547 -33.418 1.00 100.13 ? 65 LEU h OXT 1 ? ? +42625 HETATM N N . FME AB 8 1 ? -28.960 -2.061 -12.310 1.00 65.37 ? 1 FME i N 1 ? ? +42626 HETATM C CN . FME AB 8 1 ? -28.951 -3.366 -12.015 1.00 65.71 ? 1 FME i CN 1 ? ? +42627 HETATM O O1 . FME AB 8 1 ? -28.570 -3.863 -10.953 1.00 65.97 ? 1 FME i O1 1 ? ? +42628 HETATM C CA . FME AB 8 1 ? -28.444 -1.034 -11.420 1.00 64.55 ? 1 FME i CA 1 ? ? +42629 HETATM C CB . FME AB 8 1 ? -28.397 0.333 -12.123 1.00 64.03 ? 1 FME i CB 1 ? ? +42630 HETATM C CG . FME AB 8 1 ? -27.441 0.356 -13.296 1.00 63.02 ? 1 FME i CG 1 ? ? +42631 HETATM S SD . FME AB 8 1 ? -25.840 -0.351 -12.861 1.00 61.89 ? 1 FME i SD 1 ? ? +42632 HETATM C CE . FME AB 8 1 ? -24.864 0.166 -14.275 1.00 61.22 ? 1 FME i CE 1 ? ? +42633 HETATM C C . FME AB 8 1 ? -29.260 -0.939 -10.120 1.00 65.08 ? 1 FME i C 1 ? ? +42634 HETATM O O . FME AB 8 1 ? -28.612 -0.847 -9.055 1.00 63.62 ? 1 FME i O 1 ? ? +42635 ATOM N N . GLU AB 8 2 ? -30.610 -1.050 -10.246 1.00 67.63 ? 2 GLU i N 1 ? ? +42636 ATOM C CA . GLU AB 8 2 ? -31.366 -0.956 -8.992 1.00 68.90 ? 2 GLU i CA 1 ? ? +42637 ATOM C CB . GLU AB 8 2 ? -32.856 -0.826 -9.315 1.00 71.62 ? 2 GLU i CB 1 ? ? +42638 ATOM C CG . GLU AB 8 2 ? -33.718 -0.288 -8.178 1.00 75.00 ? 2 GLU i CG 1 ? ? +42639 ATOM C CD . GLU AB 8 2 ? -33.659 1.211 -7.888 1.00 77.17 ? 2 GLU i CD 1 ? ? +42640 ATOM O OE1 . GLU AB 8 2 ? -32.624 1.855 -8.197 1.00 76.27 ? 2 GLU i OE1 1 ? ? +42641 ATOM O OE2 . GLU AB 8 2 ? -34.680 1.740 -7.369 1.00 79.01 ? 2 GLU i OE2 1 ? ? +42642 ATOM C C . GLU AB 8 2 ? -31.067 -2.158 -8.091 1.00 67.07 ? 2 GLU i C 1 ? ? +42643 ATOM O O . GLU AB 8 2 ? -30.869 -2.003 -6.891 1.00 65.66 ? 2 GLU i O 1 ? ? +42644 ATOM N N . THR AB 8 3 ? -30.984 -3.354 -8.690 1.00 66.17 ? 3 THR i N 1 ? ? +42645 ATOM C CA . THR AB 8 3 ? -30.616 -4.562 -7.963 1.00 65.60 ? 3 THR i CA 1 ? ? +42646 ATOM C CB . THR AB 8 3 ? -30.629 -5.768 -8.926 1.00 65.85 ? 3 THR i CB 1 ? ? +42647 ATOM O OG1 . THR AB 8 3 ? -31.939 -5.830 -9.475 1.00 67.91 ? 3 THR i OG1 1 ? ? +42648 ATOM C CG2 . THR AB 8 3 ? -30.269 -7.101 -8.265 1.00 65.44 ? 3 THR i CG2 1 ? ? +42649 ATOM C C . THR AB 8 3 ? -29.256 -4.430 -7.283 1.00 63.56 ? 3 THR i C 1 ? ? +42650 ATOM O O . THR AB 8 3 ? -29.112 -4.744 -6.106 1.00 62.86 ? 3 THR i O 1 ? ? +42651 ATOM N N . LEU AB 8 4 ? -28.268 -3.961 -8.047 1.00 62.04 ? 4 LEU i N 1 ? ? +42652 ATOM C CA . LEU AB 8 4 ? -26.928 -3.761 -7.523 1.00 61.05 ? 4 LEU i CA 1 ? ? +42653 ATOM C CB . LEU AB 8 4 ? -26.017 -3.203 -8.615 1.00 60.38 ? 4 LEU i CB 1 ? ? +42654 ATOM C CG . LEU AB 8 4 ? -24.642 -2.855 -8.179 1.00 59.81 ? 4 LEU i CG 1 ? ? +42655 ATOM C CD1 . LEU AB 8 4 ? -23.910 -4.065 -7.678 1.00 59.47 ? 4 LEU i CD1 1 ? ? +42656 ATOM C CD2 . LEU AB 8 4 ? -23.896 -2.244 -9.292 1.00 59.48 ? 4 LEU i CD2 1 ? ? +42657 ATOM C C . LEU AB 8 4 ? -26.957 -2.810 -6.332 1.00 60.89 ? 4 LEU i C 1 ? ? +42658 ATOM O O . LEU AB 8 4 ? -26.340 -3.090 -5.304 1.00 60.74 ? 4 LEU i O 1 ? ? +42659 ATOM N N . LYS AB 8 5 ? -27.683 -1.694 -6.481 1.00 60.67 ? 5 LYS i N 1 ? ? +42660 ATOM C CA . LYS AB 8 5 ? -27.804 -0.716 -5.414 1.00 60.78 ? 5 LYS i CA 1 ? ? +42661 ATOM C CB . LYS AB 8 5 ? -28.660 0.472 -5.869 1.00 61.33 ? 5 LYS i CB 1 ? ? +42662 ATOM C CG . LYS AB 8 5 ? -28.832 1.558 -4.827 1.00 61.81 ? 5 LYS i CG 1 ? ? +42663 ATOM C CD . LYS AB 8 5 ? -29.745 2.656 -5.301 1.00 62.67 ? 5 LYS i CD 1 ? ? +42664 ATOM C CE . LYS AB 8 5 ? -29.844 3.760 -4.286 1.00 63.40 ? 5 LYS i CE 1 ? ? +42665 ATOM N NZ . LYS AB 8 5 ? -30.704 4.870 -4.781 1.00 64.26 ? 5 LYS i NZ 1 ? ? +42666 ATOM C C . LYS AB 8 5 ? -28.366 -1.356 -4.144 1.00 61.20 ? 5 LYS i C 1 ? ? +42667 ATOM O O . LYS AB 8 5 ? -27.749 -1.240 -3.090 1.00 61.50 ? 5 LYS i O 1 ? ? +42668 ATOM N N . ILE AB 8 6 ? -29.520 -2.035 -4.245 1.00 61.38 ? 6 ILE i N 1 ? ? +42669 ATOM C CA . ILE AB 8 6 ? -30.136 -2.683 -3.094 1.00 61.61 ? 6 ILE i CA 1 ? ? +42670 ATOM C CB . ILE AB 8 6 ? -31.488 -3.425 -3.447 1.00 62.35 ? 6 ILE i CB 1 ? ? +42671 ATOM C CG1 . ILE AB 8 6 ? -32.550 -2.475 -4.055 1.00 63.09 ? 6 ILE i CG1 1 ? ? +42672 ATOM C CG2 . ILE AB 8 6 ? -32.067 -4.168 -2.245 1.00 62.82 ? 6 ILE i CG2 1 ? ? +42673 ATOM C CD1 . ILE AB 8 6 ? -32.879 -1.226 -3.205 1.00 63.63 ? 6 ILE i CD1 1 ? ? +42674 ATOM C C . ILE AB 8 6 ? -29.158 -3.661 -2.445 1.00 60.64 ? 6 ILE i C 1 ? ? +42675 ATOM O O . ILE AB 8 6 ? -29.020 -3.669 -1.227 1.00 60.63 ? 6 ILE i O 1 ? ? +42676 ATOM N N . THR AB 8 7 ? -28.506 -4.497 -3.258 1.00 59.81 ? 7 THR i N 1 ? ? +42677 ATOM C CA . THR AB 8 7 ? -27.530 -5.452 -2.755 1.00 59.69 ? 7 THR i CA 1 ? ? +42678 ATOM C CB . THR AB 8 7 ? -26.921 -6.217 -3.936 1.00 59.36 ? 7 THR i CB 1 ? ? +42679 ATOM O OG1 . THR AB 8 7 ? -27.993 -6.868 -4.605 1.00 59.81 ? 7 THR i OG1 1 ? ? +42680 ATOM C CG2 . THR AB 8 7 ? -25.832 -7.234 -3.539 1.00 58.99 ? 7 THR i CG2 1 ? ? +42681 ATOM C C . THR AB 8 7 ? -26.454 -4.778 -1.900 1.00 59.43 ? 7 THR i C 1 ? ? +42682 ATOM O O . THR AB 8 7 ? -26.217 -5.199 -0.769 1.00 59.52 ? 7 THR i O 1 ? ? +42683 ATOM N N . VAL AB 8 8 ? -25.819 -3.722 -2.433 1.00 59.09 ? 8 VAL i N 1 ? ? +42684 ATOM C CA . VAL AB 8 8 ? -24.762 -3.034 -1.712 1.00 58.95 ? 8 VAL i CA 1 ? ? +42685 ATOM C CB . VAL AB 8 8 ? -24.007 -1.992 -2.593 1.00 58.62 ? 8 VAL i CB 1 ? ? +42686 ATOM C CG1 . VAL AB 8 8 ? -22.955 -1.210 -1.789 1.00 58.35 ? 8 VAL i CG1 1 ? ? +42687 ATOM C CG2 . VAL AB 8 8 ? -23.335 -2.669 -3.802 1.00 58.05 ? 8 VAL i CG2 1 ? ? +42688 ATOM C C . VAL AB 8 8 ? -25.317 -2.426 -0.424 1.00 59.60 ? 8 VAL i C 1 ? ? +42689 ATOM O O . VAL AB 8 8 ? -24.690 -2.544 0.628 1.00 59.55 ? 8 VAL i O 1 ? ? +42690 ATOM N N . TYR AB 8 9 ? -26.500 -1.799 -0.490 1.00 60.23 ? 9 TYR i N 1 ? ? +42691 ATOM C CA . TYR AB 8 9 ? -27.127 -1.258 0.707 1.00 60.92 ? 9 TYR i CA 1 ? ? +42692 ATOM C CB . TYR AB 8 9 ? -28.489 -0.597 0.394 1.00 62.40 ? 9 TYR i CB 1 ? ? +42693 ATOM C CG . TYR AB 8 9 ? -28.375 0.850 -0.030 1.00 63.37 ? 9 TYR i CG 1 ? ? +42694 ATOM C CD1 . TYR AB 8 9 ? -27.522 1.228 -1.054 1.00 63.87 ? 9 TYR i CD1 1 ? ? +42695 ATOM C CD2 . TYR AB 8 9 ? -29.110 1.844 0.602 1.00 64.79 ? 9 TYR i CD2 1 ? ? +42696 ATOM C CE1 . TYR AB 8 9 ? -27.400 2.559 -1.447 1.00 64.62 ? 9 TYR i CE1 1 ? ? +42697 ATOM C CE2 . TYR AB 8 9 ? -29.010 3.179 0.211 1.00 65.50 ? 9 TYR i CE2 1 ? ? +42698 ATOM C CZ . TYR AB 8 9 ? -28.152 3.531 -0.821 1.00 65.77 ? 9 TYR i CZ 1 ? ? +42699 ATOM O OH . TYR AB 8 9 ? -27.996 4.829 -1.248 1.00 67.28 ? 9 TYR i OH 1 ? ? +42700 ATOM C C . TYR AB 8 9 ? -27.294 -2.315 1.798 1.00 60.54 ? 9 TYR i C 1 ? ? +42701 ATOM O O . TYR AB 8 9 ? -27.057 -2.037 2.972 1.00 60.47 ? 9 TYR i O 1 ? ? +42702 ATOM N N . ILE AB 8 10 ? -27.703 -3.526 1.404 1.00 60.14 ? 10 ILE i N 1 ? ? +42703 ATOM C CA . ILE AB 8 10 ? -27.939 -4.600 2.354 1.00 60.13 ? 10 ILE i CA 1 ? ? +42704 ATOM C CB . ILE AB 8 10 ? -28.777 -5.733 1.701 1.00 60.38 ? 10 ILE i CB 1 ? ? +42705 ATOM C CG1 . ILE AB 8 10 ? -30.261 -5.343 1.634 1.00 61.27 ? 10 ILE i CG1 1 ? ? +42706 ATOM C CG2 . ILE AB 8 10 ? -28.597 -7.072 2.432 1.00 60.52 ? 10 ILE i CG2 1 ? ? +42707 ATOM C CD1 . ILE AB 8 10 ? -31.112 -6.251 0.734 1.00 61.52 ? 10 ILE i CD1 1 ? ? +42708 ATOM C C . ILE AB 8 10 ? -26.608 -5.099 2.915 1.00 59.22 ? 10 ILE i C 1 ? ? +42709 ATOM O O . ILE AB 8 10 ? -26.448 -5.244 4.120 1.00 59.56 ? 10 ILE i O 1 ? ? +42710 ATOM N N . VAL AB 8 11 ? -25.655 -5.372 2.031 1.00 58.12 ? 11 VAL i N 1 ? ? +42711 ATOM C CA . VAL AB 8 11 ? -24.341 -5.808 2.467 1.00 57.46 ? 11 VAL i CA 1 ? ? +42712 ATOM C CB . VAL AB 8 11 ? -23.452 -6.090 1.248 1.00 56.72 ? 11 VAL i CB 1 ? ? +42713 ATOM C CG1 . VAL AB 8 11 ? -21.989 -6.200 1.642 1.00 56.11 ? 11 VAL i CG1 1 ? ? +42714 ATOM C CG2 . VAL AB 8 11 ? -23.928 -7.362 0.536 1.00 56.84 ? 11 VAL i CG2 1 ? ? +42715 ATOM C C . VAL AB 8 11 ? -23.700 -4.814 3.439 1.00 57.13 ? 11 VAL i C 1 ? ? +42716 ATOM O O . VAL AB 8 11 ? -23.196 -5.210 4.486 1.00 57.20 ? 11 VAL i O 1 ? ? +42717 ATOM N N . VAL AB 8 12 ? -23.759 -3.519 3.120 1.00 56.75 ? 12 VAL i N 1 ? ? +42718 ATOM C CA . VAL AB 8 12 ? -23.147 -2.520 3.977 1.00 56.48 ? 12 VAL i CA 1 ? ? +42719 ATOM C CB . VAL AB 8 12 ? -23.098 -1.129 3.303 1.00 56.34 ? 12 VAL i CB 1 ? ? +42720 ATOM C CG1 . VAL AB 8 12 ? -22.732 -0.039 4.317 1.00 56.56 ? 12 VAL i CG1 1 ? ? +42721 ATOM C CG2 . VAL AB 8 12 ? -22.116 -1.125 2.124 1.00 55.50 ? 12 VAL i CG2 1 ? ? +42722 ATOM C C . VAL AB 8 12 ? -23.838 -2.513 5.339 1.00 56.93 ? 12 VAL i C 1 ? ? +42723 ATOM O O . VAL AB 8 12 ? -23.181 -2.652 6.363 1.00 56.99 ? 12 VAL i O 1 ? ? +42724 ATOM N N . THR AB 8 13 ? -25.170 -2.397 5.345 1.00 57.35 ? 13 THR i N 1 ? ? +42725 ATOM C CA . THR AB 8 13 ? -25.943 -2.436 6.581 1.00 57.89 ? 13 THR i CA 1 ? ? +42726 ATOM C CB . THR AB 8 13 ? -27.456 -2.413 6.260 1.00 58.36 ? 13 THR i CB 1 ? ? +42727 ATOM O OG1 . THR AB 8 13 ? -27.717 -1.225 5.523 1.00 58.15 ? 13 THR i OG1 1 ? ? +42728 ATOM C CG2 . THR AB 8 13 ? -28.329 -2.442 7.501 1.00 59.13 ? 13 THR i CG2 1 ? ? +42729 ATOM C C . THR AB 8 13 ? -25.575 -3.631 7.457 1.00 57.94 ? 13 THR i C 1 ? ? +42730 ATOM O O . THR AB 8 13 ? -25.353 -3.469 8.649 1.00 58.10 ? 13 THR i O 1 ? ? +42731 ATOM N N . PHE AB 8 14 ? -25.497 -4.821 6.854 1.00 57.89 ? 14 PHE i N 1 ? ? +42732 ATOM C CA . PHE AB 8 14 ? -25.132 -6.033 7.570 1.00 58.24 ? 14 PHE i CA 1 ? ? +42733 ATOM C CB . PHE AB 8 14 ? -25.063 -7.211 6.576 1.00 57.91 ? 14 PHE i CB 1 ? ? +42734 ATOM C CG . PHE AB 8 14 ? -24.695 -8.539 7.193 1.00 58.07 ? 14 PHE i CG 1 ? ? +42735 ATOM C CD1 . PHE AB 8 14 ? -25.554 -9.177 8.072 1.00 58.86 ? 14 PHE i CD1 1 ? ? +42736 ATOM C CD2 . PHE AB 8 14 ? -23.491 -9.153 6.887 1.00 57.61 ? 14 PHE i CD2 1 ? ? +42737 ATOM C CE1 . PHE AB 8 14 ? -25.214 -10.399 8.639 1.00 58.98 ? 14 PHE i CE1 1 ? ? +42738 ATOM C CE2 . PHE AB 8 14 ? -23.149 -10.382 7.453 1.00 57.70 ? 14 PHE i CE2 1 ? ? +42739 ATOM C CZ . PHE AB 8 14 ? -24.015 -10.995 8.328 1.00 58.37 ? 14 PHE i CZ 1 ? ? +42740 ATOM C C . PHE AB 8 14 ? -23.810 -5.886 8.331 1.00 58.25 ? 14 PHE i C 1 ? ? +42741 ATOM O O . PHE AB 8 14 ? -23.750 -6.078 9.546 1.00 58.71 ? 14 PHE i O 1 ? ? +42742 ATOM N N . PHE AB 8 15 ? -22.739 -5.518 7.618 1.00 57.80 ? 15 PHE i N 1 ? ? +42743 ATOM C CA . PHE AB 8 15 ? -21.423 -5.414 8.227 1.00 57.66 ? 15 PHE i CA 1 ? ? +42744 ATOM C CB . PHE AB 8 15 ? -20.347 -5.168 7.160 1.00 56.75 ? 15 PHE i CB 1 ? ? +42745 ATOM C CG . PHE AB 8 15 ? -19.939 -6.425 6.450 1.00 56.34 ? 15 PHE i CG 1 ? ? +42746 ATOM C CD1 . PHE AB 8 15 ? -19.145 -7.360 7.077 1.00 56.22 ? 15 PHE i CD1 1 ? ? +42747 ATOM C CD2 . PHE AB 8 15 ? -20.372 -6.687 5.160 1.00 56.20 ? 15 PHE i CD2 1 ? ? +42748 ATOM C CE1 . PHE AB 8 15 ? -18.770 -8.532 6.423 1.00 55.95 ? 15 PHE i CE1 1 ? ? +42749 ATOM C CE2 . PHE AB 8 15 ? -19.989 -7.853 4.503 1.00 55.92 ? 15 PHE i CE2 1 ? ? +42750 ATOM C CZ . PHE AB 8 15 ? -19.184 -8.768 5.138 1.00 55.74 ? 15 PHE i CZ 1 ? ? +42751 ATOM C C . PHE AB 8 15 ? -21.357 -4.335 9.304 1.00 58.41 ? 15 PHE i C 1 ? ? +42752 ATOM O O . PHE AB 8 15 ? -20.667 -4.514 10.308 1.00 58.63 ? 15 PHE i O 1 ? ? +42753 ATOM N N . VAL AB 8 16 ? -22.078 -3.224 9.098 1.00 58.91 ? 16 VAL i N 1 ? ? +42754 ATOM C CA . VAL AB 8 16 ? -22.077 -2.145 10.071 1.00 59.35 ? 16 VAL i CA 1 ? ? +42755 ATOM C CB . VAL AB 8 16 ? -22.664 -0.838 9.514 1.00 59.72 ? 16 VAL i CB 1 ? ? +42756 ATOM C CG1 . VAL AB 8 16 ? -22.561 0.275 10.548 1.00 60.35 ? 16 VAL i CG1 1 ? ? +42757 ATOM C CG2 . VAL AB 8 16 ? -21.971 -0.422 8.215 1.00 58.98 ? 16 VAL i CG2 1 ? ? +42758 ATOM C C . VAL AB 8 16 ? -22.796 -2.588 11.343 1.00 59.97 ? 16 VAL i C 1 ? ? +42759 ATOM O O . VAL AB 8 16 ? -22.348 -2.261 12.440 1.00 60.14 ? 16 VAL i O 1 ? ? +42760 ATOM N N . LEU AB 8 17 ? -23.899 -3.336 11.196 1.00 60.29 ? 17 LEU i N 1 ? ? +42761 ATOM C CA . LEU AB 8 17 ? -24.631 -3.839 12.348 1.00 60.96 ? 17 LEU i CA 1 ? ? +42762 ATOM C CB . LEU AB 8 17 ? -25.928 -4.567 11.919 1.00 61.40 ? 17 LEU i CB 1 ? ? +42763 ATOM C CG . LEU AB 8 17 ? -27.123 -3.705 11.460 1.00 61.82 ? 17 LEU i CG 1 ? ? +42764 ATOM C CD1 . LEU AB 8 17 ? -28.358 -4.550 11.302 1.00 62.49 ? 17 LEU i CD1 1 ? ? +42765 ATOM C CD2 . LEU AB 8 17 ? -27.464 -2.588 12.426 1.00 62.28 ? 17 LEU i CD2 1 ? ? +42766 ATOM C C . LEU AB 8 17 ? -23.758 -4.788 13.167 1.00 60.85 ? 17 LEU i C 1 ? ? +42767 ATOM O O . LEU AB 8 17 ? -23.792 -4.757 14.396 1.00 61.46 ? 17 LEU i O 1 ? ? +42768 ATOM N N . LEU AB 8 18 ? -22.961 -5.619 12.477 1.00 60.23 ? 18 LEU i N 1 ? ? +42769 ATOM C CA . LEU AB 8 18 ? -22.007 -6.501 13.139 1.00 59.85 ? 18 LEU i CA 1 ? ? +42770 ATOM C CB . LEU AB 8 18 ? -21.267 -7.369 12.120 1.00 59.18 ? 18 LEU i CB 1 ? ? +42771 ATOM C CG . LEU AB 8 18 ? -22.051 -8.486 11.488 1.00 59.35 ? 18 LEU i CG 1 ? ? +42772 ATOM C CD1 . LEU AB 8 18 ? -21.223 -9.172 10.412 1.00 58.71 ? 18 LEU i CD1 1 ? ? +42773 ATOM C CD2 . LEU AB 8 18 ? -22.471 -9.507 12.516 1.00 59.98 ? 18 LEU i CD2 1 ? ? +42774 ATOM C C . LEU AB 8 18 ? -20.976 -5.723 13.948 1.00 59.45 ? 18 LEU i C 1 ? ? +42775 ATOM O O . LEU AB 8 18 ? -20.620 -6.126 15.046 1.00 59.73 ? 18 LEU i O 1 ? ? +42776 ATOM N N . PHE AB 8 19 ? -20.485 -4.622 13.376 1.00 58.88 ? 19 PHE i N 1 ? ? +42777 ATOM C CA . PHE AB 8 19 ? -19.502 -3.778 14.036 1.00 58.56 ? 19 PHE i CA 1 ? ? +42778 ATOM C CB . PHE AB 8 19 ? -19.088 -2.626 13.104 1.00 57.95 ? 19 PHE i CB 1 ? ? +42779 ATOM C CG . PHE AB 8 19 ? -18.040 -1.702 13.659 1.00 57.69 ? 19 PHE i CG 1 ? ? +42780 ATOM C CD1 . PHE AB 8 19 ? -16.682 -2.015 13.554 1.00 57.12 ? 19 PHE i CD1 1 ? ? +42781 ATOM C CD2 . PHE AB 8 19 ? -18.401 -0.525 14.290 1.00 57.97 ? 19 PHE i CD2 1 ? ? +42782 ATOM C CE1 . PHE AB 8 19 ? -15.704 -1.150 14.055 1.00 56.92 ? 19 PHE i CE1 1 ? ? +42783 ATOM C CE2 . PHE AB 8 19 ? -17.432 0.329 14.806 1.00 57.95 ? 19 PHE i CE2 1 ? ? +42784 ATOM C CZ . PHE AB 8 19 ? -16.079 0.015 14.683 1.00 57.42 ? 19 PHE i CZ 1 ? ? +42785 ATOM C C . PHE AB 8 19 ? -20.093 -3.224 15.328 1.00 59.23 ? 19 PHE i C 1 ? ? +42786 ATOM O O . PHE AB 8 19 ? -19.529 -3.389 16.411 1.00 59.36 ? 19 PHE i O 1 ? ? +42787 ATOM N N . VAL AB 8 20 ? -21.252 -2.576 15.190 1.00 59.58 ? 20 VAL i N 1 ? ? +42788 ATOM C CA . VAL AB 8 20 ? -21.867 -1.879 16.304 1.00 60.22 ? 20 VAL i CA 1 ? ? +42789 ATOM C CB . VAL AB 8 20 ? -23.057 -1.025 15.811 1.00 60.64 ? 20 VAL i CB 1 ? ? +42790 ATOM C CG1 . VAL AB 8 20 ? -23.840 -0.433 16.969 1.00 61.42 ? 20 VAL i CG1 1 ? ? +42791 ATOM C CG2 . VAL AB 8 20 ? -22.562 0.078 14.867 1.00 60.15 ? 20 VAL i CG2 1 ? ? +42792 ATOM C C . VAL AB 8 20 ? -22.257 -2.845 17.417 1.00 60.68 ? 20 VAL i C 1 ? ? +42793 ATOM O O . VAL AB 8 20 ? -21.996 -2.577 18.583 1.00 60.89 ? 20 VAL i O 1 ? ? +42794 ATOM N N . PHE AB 8 21 ? -22.872 -3.972 17.055 1.00 60.91 ? 21 PHE i N 1 ? ? +42795 ATOM C CA . PHE AB 8 21 ? -23.341 -4.918 18.056 1.00 61.68 ? 21 PHE i CA 1 ? ? +42796 ATOM C CB . PHE AB 8 21 ? -24.419 -5.865 17.488 1.00 62.15 ? 21 PHE i CB 1 ? ? +42797 ATOM C CG . PHE AB 8 21 ? -25.803 -5.239 17.430 1.00 63.06 ? 21 PHE i CG 1 ? ? +42798 ATOM C CD1 . PHE AB 8 21 ? -26.575 -5.109 18.580 1.00 64.07 ? 21 PHE i CD1 1 ? ? +42799 ATOM C CD2 . PHE AB 8 21 ? -26.325 -4.761 16.232 1.00 62.92 ? 21 PHE i CD2 1 ? ? +42800 ATOM C CE1 . PHE AB 8 21 ? -27.849 -4.528 18.530 1.00 64.68 ? 21 PHE i CE1 1 ? ? +42801 ATOM C CE2 . PHE AB 8 21 ? -27.593 -4.180 16.191 1.00 63.55 ? 21 PHE i CE2 1 ? ? +42802 ATOM C CZ . PHE AB 8 21 ? -28.344 -4.065 17.338 1.00 64.42 ? 21 PHE i CZ 1 ? ? +42803 ATOM C C . PHE AB 8 21 ? -22.153 -5.666 18.651 1.00 61.30 ? 21 PHE i C 1 ? ? +42804 ATOM O O . PHE AB 8 21 ? -22.190 -6.050 19.816 1.00 61.68 ? 21 PHE i O 1 ? ? +42805 ATOM N N . GLY AB 8 22 ? -21.097 -5.837 17.842 1.00 60.56 ? 22 GLY i N 1 ? ? +42806 ATOM C CA . GLY AB 8 22 ? -19.862 -6.467 18.283 1.00 60.19 ? 22 GLY i CA 1 ? ? +42807 ATOM C C . GLY AB 8 22 ? -19.213 -5.708 19.436 1.00 60.48 ? 22 GLY i C 1 ? ? +42808 ATOM O O . GLY AB 8 22 ? -18.902 -6.292 20.470 1.00 60.77 ? 22 GLY i O 1 ? ? +42809 ATOM N N . PHE AB 8 23 ? -19.047 -4.395 19.256 1.00 60.53 ? 23 PHE i N 1 ? ? +42810 ATOM C CA . PHE AB 8 23 ? -18.481 -3.550 20.294 1.00 60.97 ? 23 PHE i CA 1 ? ? +42811 ATOM C CB . PHE AB 8 23 ? -18.022 -2.199 19.716 1.00 60.47 ? 23 PHE i CB 1 ? ? +42812 ATOM C CG . PHE AB 8 23 ? -16.591 -2.218 19.211 1.00 59.62 ? 23 PHE i CG 1 ? ? +42813 ATOM C CD1 . PHE AB 8 23 ? -15.537 -2.513 20.066 1.00 59.57 ? 23 PHE i CD1 1 ? ? +42814 ATOM C CD2 . PHE AB 8 23 ? -16.300 -1.946 17.888 1.00 58.97 ? 23 PHE i CD2 1 ? ? +42815 ATOM C CE1 . PHE AB 8 23 ? -14.222 -2.540 19.601 1.00 58.92 ? 23 PHE i CE1 1 ? ? +42816 ATOM C CE2 . PHE AB 8 23 ? -14.973 -1.973 17.429 1.00 58.34 ? 23 PHE i CE2 1 ? ? +42817 ATOM C CZ . PHE AB 8 23 ? -13.950 -2.274 18.290 1.00 58.26 ? 23 PHE i CZ 1 ? ? +42818 ATOM C C . PHE AB 8 23 ? -19.407 -3.326 21.487 1.00 62.38 ? 23 PHE i C 1 ? ? +42819 ATOM O O . PHE AB 8 23 ? -18.913 -3.031 22.572 1.00 62.91 ? 23 PHE i O 1 ? ? +42820 ATOM N N . LEU AB 8 24 ? -20.729 -3.478 21.295 1.00 63.30 ? 24 LEU i N 1 ? ? +42821 ATOM C CA . LEU AB 8 24 ? -21.687 -3.409 22.392 1.00 64.65 ? 24 LEU i CA 1 ? ? +42822 ATOM C CB . LEU AB 8 24 ? -23.117 -3.170 21.853 1.00 65.21 ? 24 LEU i CB 1 ? ? +42823 ATOM C CG . LEU AB 8 24 ? -23.438 -1.780 21.325 1.00 65.24 ? 24 LEU i CG 1 ? ? +42824 ATOM C CD1 . LEU AB 8 24 ? -24.843 -1.739 20.741 1.00 65.77 ? 24 LEU i CD1 1 ? ? +42825 ATOM C CD2 . LEU AB 8 24 ? -23.315 -0.737 22.412 1.00 65.71 ? 24 LEU i CD2 1 ? ? +42826 ATOM C C . LEU AB 8 24 ? -21.740 -4.666 23.261 1.00 65.36 ? 24 LEU i C 1 ? ? +42827 ATOM O O . LEU AB 8 24 ? -22.356 -4.652 24.330 1.00 66.51 ? 24 LEU i O 1 ? ? +42828 ATOM N N . SER AB 8 25 ? -21.113 -5.746 22.779 1.00 64.98 ? 25 SER i N 1 ? ? +42829 ATOM C CA . SER AB 8 25 ? -21.168 -7.045 23.428 1.00 65.40 ? 25 SER i CA 1 ? ? +42830 ATOM C CB . SER AB 8 25 ? -21.169 -8.142 22.367 1.00 65.09 ? 25 SER i CB 1 ? ? +42831 ATOM O OG . SER AB 8 25 ? -22.257 -7.987 21.467 1.00 65.24 ? 25 SER i OG 1 ? ? +42832 ATOM C C . SER AB 8 25 ? -20.020 -7.259 24.417 1.00 65.45 ? 25 SER i C 1 ? ? +42833 ATOM O O . SER AB 8 25 ? -19.236 -8.207 24.287 1.00 65.22 ? 25 SER i O 1 ? ? +42834 ATOM N N . GLY AB 8 26 ? -19.938 -6.360 25.405 1.00 65.69 ? 26 GLY i N 1 ? ? +42835 ATOM C CA . GLY AB 8 26 ? -19.008 -6.498 26.512 1.00 65.87 ? 26 GLY i CA 1 ? ? +42836 ATOM C C . GLY AB 8 26 ? -17.536 -6.447 26.112 1.00 65.10 ? 26 GLY i C 1 ? ? +42837 ATOM O O . GLY AB 8 26 ? -16.712 -7.187 26.645 1.00 64.99 ? 26 GLY i O 1 ? ? +42838 ATOM N N . ASP AB 8 27 ? -17.214 -5.549 25.180 1.00 64.50 ? 27 ASP i N 1 ? ? +42839 ATOM C CA . ASP AB 8 27 ? -15.871 -5.490 24.634 1.00 63.77 ? 27 ASP i CA 1 ? ? +42840 ATOM C CB . ASP AB 8 27 ? -15.785 -4.511 23.470 1.00 63.05 ? 27 ASP i CB 1 ? ? +42841 ATOM C CG . ASP AB 8 27 ? -14.476 -4.671 22.728 1.00 62.12 ? 27 ASP i CG 1 ? ? +42842 ATOM O OD1 . ASP AB 8 27 ? -14.279 -5.725 22.106 1.00 61.73 ? 27 ASP i OD1 1 ? ? +42843 ATOM O OD2 . ASP AB 8 27 ? -13.633 -3.760 22.809 1.00 61.73 ? 27 ASP i OD2 1 ? ? +42844 ATOM C C . ASP AB 8 27 ? -14.811 -5.133 25.676 1.00 64.01 ? 27 ASP i C 1 ? ? +42845 ATOM O O . ASP AB 8 27 ? -13.724 -5.713 25.656 1.00 63.74 ? 27 ASP i O 1 ? ? +42846 ATOM N N . PRO AB 8 28 ? -15.051 -4.170 26.598 1.00 64.52 ? 28 PRO i N 1 ? ? +42847 ATOM C CA . PRO AB 8 28 ? -14.055 -3.850 27.622 1.00 64.78 ? 28 PRO i CA 1 ? ? +42848 ATOM C CB . PRO AB 8 28 ? -14.785 -2.846 28.509 1.00 65.45 ? 28 PRO i CB 1 ? ? +42849 ATOM C CG . PRO AB 8 28 ? -15.806 -2.218 27.610 1.00 65.33 ? 28 PRO i CG 1 ? ? +42850 ATOM C CD . PRO AB 8 28 ? -16.245 -3.312 26.685 1.00 65.06 ? 28 PRO i CD 1 ? ? +42851 ATOM C C . PRO AB 8 28 ? -13.569 -5.073 28.400 1.00 65.17 ? 28 PRO i C 1 ? ? +42852 ATOM O O . PRO AB 8 28 ? -12.412 -5.125 28.808 1.00 64.97 ? 28 PRO i O 1 ? ? +42853 ATOM N N . ALA AB 8 29 ? -14.460 -6.058 28.584 1.00 65.70 ? 29 ALA i N 1 ? ? +42854 ATOM C CA . ALA AB 8 29 ? -14.144 -7.276 29.318 1.00 65.90 ? 29 ALA i CA 1 ? ? +42855 ATOM C CB . ALA AB 8 29 ? -15.448 -7.975 29.735 1.00 66.42 ? 29 ALA i CB 1 ? ? +42856 ATOM C C . ALA AB 8 29 ? -13.258 -8.253 28.545 1.00 65.12 ? 29 ALA i C 1 ? ? +42857 ATOM O O . ALA AB 8 29 ? -12.653 -9.136 29.145 1.00 65.00 ? 29 ALA i O 1 ? ? +42858 ATOM N N . ARG AB 8 30 ? -13.213 -8.117 27.214 1.00 64.62 ? 30 ARG i N 1 ? ? +42859 ATOM C CA . ARG AB 8 30 ? -12.435 -9.010 26.366 1.00 64.39 ? 30 ARG i CA 1 ? ? +42860 ATOM C CB . ARG AB 8 30 ? -13.005 -9.030 24.941 1.00 63.84 ? 30 ARG i CB 1 ? ? +42861 ATOM C CG . ARG AB 8 30 ? -14.414 -9.597 24.854 1.00 64.25 ? 30 ARG i CG 1 ? ? +42862 ATOM C CD . ARG AB 8 30 ? -14.891 -9.561 23.418 1.00 63.83 ? 30 ARG i CD 1 ? ? +42863 ATOM N NE . ARG AB 8 30 ? -16.316 -9.822 23.298 1.00 64.33 ? 30 ARG i NE 1 ? ? +42864 ATOM C CZ . ARG AB 8 30 ? -16.876 -10.999 23.508 1.00 64.85 ? 30 ARG i CZ 1 ? ? +42865 ATOM N NH1 . ARG AB 8 30 ? -16.175 -12.118 23.432 1.00 64.63 ? 30 ARG i NH1 1 ? ? +42866 ATOM N NH2 . ARG AB 8 30 ? -18.179 -11.059 23.770 1.00 65.73 ? 30 ARG i NH2 1 ? ? +42867 ATOM C C . ARG AB 8 30 ? -10.962 -8.603 26.347 1.00 64.08 ? 30 ARG i C 1 ? ? +42868 ATOM O O . ARG AB 8 30 ? -10.455 -8.110 25.347 1.00 63.26 ? 30 ARG i O 1 ? ? +42869 ATOM N N . ASN AB 8 31 ? -10.297 -8.800 27.485 1.00 65.02 ? 31 ASN i N 1 ? ? +42870 ATOM C CA . ASN AB 8 31 ? -8.893 -8.475 27.643 1.00 65.31 ? 31 ASN i CA 1 ? ? +42871 ATOM C CB . ASN AB 8 31 ? -8.719 -7.024 28.133 1.00 65.41 ? 31 ASN i CB 1 ? ? +42872 ATOM C CG . ASN AB 8 31 ? -9.066 -6.804 29.569 1.00 66.37 ? 31 ASN i CG 1 ? ? +42873 ATOM O OD1 . ASN AB 8 31 ? -10.187 -6.414 29.914 1.00 67.47 ? 31 ASN i OD1 1 ? ? +42874 ATOM N ND2 . ASN AB 8 31 ? -8.139 -7.055 30.453 1.00 66.60 ? 31 ASN i ND2 1 ? ? +42875 ATOM C C . ASN AB 8 31 ? -8.303 -9.528 28.580 1.00 66.32 ? 31 ASN i C 1 ? ? +42876 ATOM O O . ASN AB 8 31 ? -9.043 -10.236 29.260 1.00 66.63 ? 31 ASN i O 1 ? ? +42877 ATOM N N . PRO AB 8 32 ? -6.963 -9.706 28.607 1.00 66.95 ? 32 PRO i N 1 ? ? +42878 ATOM C CA . PRO AB 8 32 ? -6.352 -10.792 29.375 1.00 68.31 ? 32 PRO i CA 1 ? ? +42879 ATOM C CB . PRO AB 8 32 ? -5.016 -10.958 28.677 1.00 67.27 ? 32 PRO i CB 1 ? ? +42880 ATOM C CG . PRO AB 8 32 ? -4.699 -9.606 28.146 1.00 66.63 ? 32 PRO i CG 1 ? ? +42881 ATOM C CD . PRO AB 8 32 ? -5.981 -8.908 27.861 1.00 66.31 ? 32 PRO i CD 1 ? ? +42882 ATOM C C . PRO AB 8 32 ? -6.159 -10.583 30.880 1.00 70.89 ? 32 PRO i C 1 ? ? +42883 ATOM O O . PRO AB 8 32 ? -5.804 -11.533 31.570 1.00 70.93 ? 32 PRO i O 1 ? ? +42884 ATOM N N . LYS AB 8 33 ? -6.378 -9.353 31.378 1.00 73.88 ? 33 LYS i N 1 ? ? +42885 ATOM C CA . LYS AB 8 33 ? -6.257 -9.032 32.799 1.00 77.26 ? 33 LYS i CA 1 ? ? +42886 ATOM C CB . LYS AB 8 33 ? -5.385 -7.774 32.992 1.00 77.50 ? 33 LYS i CB 1 ? ? +42887 ATOM C CG . LYS AB 8 33 ? -3.933 -7.936 32.569 1.00 77.53 ? 33 LYS i CG 1 ? ? +42888 ATOM C CD . LYS AB 8 33 ? -3.160 -8.943 33.386 1.00 78.83 ? 33 LYS i CD 1 ? ? +42889 ATOM C CE . LYS AB 8 33 ? -1.724 -9.018 32.896 1.00 78.91 ? 33 LYS i CE 1 ? ? +42890 ATOM N NZ . LYS AB 8 33 ? -0.937 -10.092 33.562 1.00 79.11 ? 33 LYS i NZ 1 ? ? +42891 ATOM C C . LYS AB 8 33 ? -7.611 -8.865 33.495 1.00 81.09 ? 33 LYS i C 1 ? ? +42892 ATOM O O . LYS AB 8 33 ? -8.290 -9.858 33.723 1.00 83.08 ? 33 LYS i O 1 ? ? +42893 ATOM N N . ARG AB 8 34 ? -7.998 -7.628 33.848 1.00 84.93 ? 34 ARG i N 1 ? ? +42894 ATOM C CA . ARG AB 8 34 ? -9.244 -7.378 34.557 1.00 89.56 ? 34 ARG i CA 1 ? ? +42895 ATOM C CB . ARG AB 8 34 ? -9.215 -5.975 35.195 1.00 91.37 ? 34 ARG i CB 1 ? ? +42896 ATOM C CG . ARG AB 8 34 ? -8.175 -5.840 36.315 1.00 93.78 ? 34 ARG i CG 1 ? ? +42897 ATOM C CD . ARG AB 8 34 ? -8.394 -4.617 37.226 1.00 97.15 ? 34 ARG i CD 1 ? ? +42898 ATOM N NE . ARG AB 8 34 ? -9.806 -4.368 37.518 1.00 101.56 ? 34 ARG i NE 1 ? ? +42899 ATOM C CZ . ARG AB 8 34 ? -10.460 -4.780 38.604 1.00 105.22 ? 34 ARG i CZ 1 ? ? +42900 ATOM N NH1 . ARG AB 8 34 ? -9.881 -5.541 39.522 1.00 106.60 ? 34 ARG i NH1 1 ? ? +42901 ATOM N NH2 . ARG AB 8 34 ? -11.738 -4.438 38.756 1.00 105.51 ? 34 ARG i NH2 1 ? ? +42902 ATOM C C . ARG AB 8 34 ? -10.446 -7.518 33.624 1.00 92.35 ? 34 ARG i C 1 ? ? +42903 ATOM O O . ARG AB 8 34 ? -10.560 -6.772 32.654 1.00 91.95 ? 34 ARG i O 1 ? ? +42904 ATOM N N . LYS AB 8 35 ? -11.343 -8.474 33.932 1.00 96.56 ? 35 LYS i N 1 ? ? +42905 ATOM C CA . LYS AB 8 35 ? -12.483 -8.804 33.082 1.00 99.19 ? 35 LYS i CA 1 ? ? +42906 ATOM C CB . LYS AB 8 35 ? -12.493 -10.318 32.727 1.00 98.51 ? 35 LYS i CB 1 ? ? +42907 ATOM C CG . LYS AB 8 35 ? -11.181 -10.822 32.180 1.00 98.06 ? 35 LYS i CG 1 ? ? +42908 ATOM C CD . LYS AB 8 35 ? -11.164 -12.316 31.912 1.00 99.03 ? 35 LYS i CD 1 ? ? +42909 ATOM C CE . LYS AB 8 35 ? -9.747 -12.832 31.689 1.00 99.74 ? 35 LYS i CE 1 ? ? +42910 ATOM N NZ . LYS AB 8 35 ? -8.888 -12.649 32.895 1.00 100.68 ? 35 LYS i NZ 1 ? ? +42911 ATOM C C . LYS AB 8 35 ? -13.829 -8.445 33.714 1.00 101.99 ? 35 LYS i C 1 ? ? +42912 ATOM O O . LYS AB 8 35 ? -14.714 -9.291 33.816 1.00 103.05 ? 35 LYS i O 1 ? ? +42913 ATOM N N . ASP AB 8 36 ? -13.974 -7.184 34.127 1.00 104.53 ? 36 ASP i N 1 ? ? +42914 ATOM C CA . ASP AB 8 36 ? -15.240 -6.653 34.615 1.00 109.61 ? 36 ASP i CA 1 ? ? +42915 ATOM C CB . ASP AB 8 36 ? -15.619 -7.233 36.003 1.00 113.15 ? 36 ASP i CB 1 ? ? +42916 ATOM C CG . ASP AB 8 36 ? -14.464 -7.435 36.967 1.00 114.99 ? 36 ASP i CG 1 ? ? +42917 ATOM O OD1 . ASP AB 8 36 ? -13.588 -6.541 37.052 1.00 115.54 ? 36 ASP i OD1 1 ? ? +42918 ATOM O OD2 . ASP AB 8 36 ? -14.436 -8.484 37.638 1.00 115.76 ? 36 ASP i OD2 1 ? ? +42919 ATOM C C . ASP AB 8 36 ? -15.172 -5.127 34.667 1.00 110.35 ? 36 ASP i C 1 ? ? +42920 ATOM O O . ASP AB 8 36 ? -14.766 -4.550 35.680 1.00 113.15 ? 36 ASP i O 1 ? ? +42921 ATOM N N . LEU AB 8 37 ? -15.561 -4.481 33.553 1.00 106.40 ? 37 LEU i N 1 ? ? +42922 ATOM C CA . LEU AB 8 37 ? -15.468 -3.033 33.411 1.00 103.26 ? 37 LEU i CA 1 ? ? +42923 ATOM C CB . LEU AB 8 37 ? -14.409 -2.674 32.344 1.00 100.54 ? 37 LEU i CB 1 ? ? +42924 ATOM C CG . LEU AB 8 37 ? -12.923 -2.841 32.716 1.00 97.79 ? 37 LEU i CG 1 ? ? +42925 ATOM C CD1 . LEU AB 8 37 ? -12.538 -2.042 33.961 1.00 97.33 ? 37 LEU i CD1 1 ? ? +42926 ATOM C CD2 . LEU AB 8 37 ? -12.580 -4.266 32.913 1.00 98.27 ? 37 LEU i CD2 1 ? ? +42927 ATOM C C . LEU AB 8 37 ? -16.818 -2.394 33.068 1.00 101.51 ? 37 LEU i C 1 ? ? +42928 ATOM O O . LEU AB 8 37 ? -17.034 -1.909 31.952 1.00 97.93 ? 37 LEU i O 1 ? ? +42929 ATOM N N . GLU AB 8 38 ? -17.705 -2.379 34.077 1.00 101.17 ? 38 GLU i N 1 ? ? +42930 ATOM C CA . GLU AB 8 38 ? -19.005 -1.734 34.010 1.00 101.22 ? 38 GLU i CA 1 ? ? +42931 ATOM C CB . GLU AB 8 38 ? -20.093 -2.766 33.653 1.00 103.58 ? 38 GLU i CB 1 ? ? +42932 ATOM C CG . GLU AB 8 38 ? -20.661 -3.559 34.832 1.00 105.50 ? 38 GLU i CG 1 ? ? +42933 ATOM C CD . GLU AB 8 38 ? -21.774 -4.518 34.458 1.00 106.42 ? 38 GLU i CD 1 ? ? +42934 ATOM O OE1 . GLU AB 8 38 ? -21.477 -5.536 33.791 1.00 106.32 ? 38 GLU i OE1 1 ? ? +42935 ATOM O OE2 . GLU AB 8 38 ? -22.944 -4.250 34.821 1.00 105.32 ? 38 GLU i OE2 1 ? ? +42936 ATOM C C . GLU AB 8 38 ? -19.312 -1.035 35.357 1.00 99.61 ? 38 GLU i C 1 ? ? +42937 ATOM O O . GLU AB 8 38 ? -18.475 -1.037 36.258 1.00 98.92 ? 38 GLU i O 1 ? ? +42938 ATOM O OXT . GLU AB 8 38 ? -20.395 -0.483 35.540 1.00 97.89 ? 38 GLU i OXT 1 ? ? +42939 ATOM N N . MET AC 23 1 ? 33.911 35.759 42.100 1.00 128.27 ? 1 MET j N 1 ? ? +42940 ATOM C CA . MET AC 23 1 ? 34.250 34.447 42.648 1.00 129.59 ? 1 MET j CA 1 ? ? +42941 ATOM C CB . MET AC 23 1 ? 33.667 34.297 44.068 1.00 132.27 ? 1 MET j CB 1 ? ? +42942 ATOM C CG . MET AC 23 1 ? 33.738 32.864 44.661 1.00 135.14 ? 1 MET j CG 1 ? ? +42943 ATOM S SD . MET AC 23 1 ? 35.422 32.144 44.693 1.00 140.03 ? 1 MET j SD 1 ? ? +42944 ATOM C CE . MET AC 23 1 ? 35.090 30.403 44.423 1.00 136.60 ? 1 MET j CE 1 ? ? +42945 ATOM C C . MET AC 23 1 ? 33.741 33.338 41.728 1.00 127.50 ? 1 MET j C 1 ? ? +42946 ATOM O O . MET AC 23 1 ? 32.666 33.458 41.136 1.00 125.33 ? 1 MET j O 1 ? ? +42947 ATOM N N . SER AC 23 2 ? 34.527 32.252 41.651 1.00 125.57 ? 2 SER j N 1 ? ? +42948 ATOM C CA . SER AC 23 2 ? 34.264 31.125 40.768 1.00 121.71 ? 2 SER j CA 1 ? ? +42949 ATOM C CB . SER AC 23 2 ? 35.575 30.379 40.520 1.00 120.51 ? 2 SER j CB 1 ? ? +42950 ATOM O OG . SER AC 23 2 ? 36.589 31.267 40.085 1.00 119.66 ? 2 SER j OG 1 ? ? +42951 ATOM C C . SER AC 23 2 ? 33.226 30.121 41.274 1.00 120.21 ? 2 SER j C 1 ? ? +42952 ATOM O O . SER AC 23 2 ? 33.158 29.010 40.751 1.00 118.19 ? 2 SER j O 1 ? ? +42953 ATOM N N . GLU AC 23 3 ? 32.431 30.522 42.281 1.00 120.51 ? 3 GLU j N 1 ? ? +42954 ATOM C CA . GLU AC 23 3 ? 31.567 29.620 43.027 1.00 117.55 ? 3 GLU j CA 1 ? ? +42955 ATOM C CB . GLU AC 23 3 ? 31.172 30.236 44.387 1.00 119.07 ? 3 GLU j CB 1 ? ? +42956 ATOM C CG . GLU AC 23 3 ? 30.399 29.296 45.306 1.00 119.20 ? 3 GLU j CG 1 ? ? +42957 ATOM C CD . GLU AC 23 3 ? 31.217 28.607 46.380 1.00 121.21 ? 3 GLU j CD 1 ? ? +42958 ATOM O OE1 . GLU AC 23 3 ? 32.304 29.119 46.735 1.00 121.95 ? 3 GLU j OE1 1 ? ? +42959 ATOM O OE2 . GLU AC 23 3 ? 30.764 27.545 46.865 1.00 122.23 ? 3 GLU j OE2 1 ? ? +42960 ATOM C C . GLU AC 23 3 ? 30.299 29.321 42.235 1.00 113.20 ? 3 GLU j C 1 ? ? +42961 ATOM O O . GLU AC 23 3 ? 29.565 30.234 41.856 1.00 112.01 ? 3 GLU j O 1 ? ? +42962 ATOM N N . GLY AC 23 4 ? 30.043 28.028 42.014 1.00 110.35 ? 4 GLY j N 1 ? ? +42963 ATOM C CA . GLY AC 23 4 ? 28.886 27.592 41.250 1.00 107.95 ? 4 GLY j CA 1 ? ? +42964 ATOM C C . GLY AC 23 4 ? 27.618 27.602 42.097 1.00 106.33 ? 4 GLY j C 1 ? ? +42965 ATOM O O . GLY AC 23 4 ? 27.623 27.112 43.224 1.00 107.46 ? 4 GLY j O 1 ? ? +42966 ATOM N N . GLY AC 23 5 ? 26.542 28.192 41.555 1.00 103.86 ? 5 GLY j N 1 ? ? +42967 ATOM C CA . GLY AC 23 5 ? 25.237 28.179 42.197 1.00 102.46 ? 5 GLY j CA 1 ? ? +42968 ATOM C C . GLY AC 23 5 ? 24.705 29.538 42.652 1.00 102.07 ? 5 GLY j C 1 ? ? +42969 ATOM O O . GLY AC 23 5 ? 23.546 29.633 43.043 1.00 102.50 ? 5 GLY j O 1 ? ? +42970 ATOM N N . ARG AC 23 6 ? 25.544 30.581 42.586 1.00 101.09 ? 6 ARG j N 1 ? ? +42971 ATOM C CA . ARG AC 23 6 ? 25.179 31.894 43.101 1.00 99.79 ? 6 ARG j CA 1 ? ? +42972 ATOM C CB . ARG AC 23 6 ? 26.370 32.869 43.014 1.00 100.76 ? 6 ARG j CB 1 ? ? +42973 ATOM C CG . ARG AC 23 6 ? 27.636 32.402 43.745 1.00 102.43 ? 6 ARG j CG 1 ? ? +42974 ATOM C CD . ARG AC 23 6 ? 27.457 32.173 45.244 1.00 104.18 ? 6 ARG j CD 1 ? ? +42975 ATOM N NE . ARG AC 23 6 ? 27.287 33.417 45.987 1.00 106.37 ? 6 ARG j NE 1 ? ? +42976 ATOM C CZ . ARG AC 23 6 ? 28.249 34.305 46.231 1.00 108.26 ? 6 ARG j CZ 1 ? ? +42977 ATOM N NH1 . ARG AC 23 6 ? 29.507 34.098 45.864 1.00 107.96 ? 6 ARG j NH1 1 ? ? +42978 ATOM N NH2 . ARG AC 23 6 ? 27.941 35.426 46.881 1.00 109.53 ? 6 ARG j NH2 1 ? ? +42979 ATOM C C . ARG AC 23 6 ? 23.955 32.485 42.398 1.00 96.78 ? 6 ARG j C 1 ? ? +42980 ATOM O O . ARG AC 23 6 ? 23.059 32.989 43.070 1.00 97.49 ? 6 ARG j O 1 ? ? +42981 ATOM N N . ILE AC 23 7 ? 23.907 32.423 41.058 1.00 93.45 ? 7 ILE j N 1 ? ? +42982 ATOM C CA . ILE AC 23 7 ? 22.752 32.904 40.314 1.00 91.63 ? 7 ILE j CA 1 ? ? +42983 ATOM C CB . ILE AC 23 7 ? 23.147 33.726 39.055 1.00 91.31 ? 7 ILE j CB 1 ? ? +42984 ATOM C CG1 . ILE AC 23 7 ? 24.069 34.899 39.417 1.00 92.41 ? 7 ILE j CG1 1 ? ? +42985 ATOM C CG2 . ILE AC 23 7 ? 21.913 34.247 38.312 1.00 90.86 ? 7 ILE j CG2 1 ? ? +42986 ATOM C CD1 . ILE AC 23 7 ? 25.590 34.568 39.447 1.00 93.32 ? 7 ILE j CD1 1 ? ? +42987 ATOM C C . ILE AC 23 7 ? 21.844 31.729 39.953 1.00 89.15 ? 7 ILE j C 1 ? ? +42988 ATOM O O . ILE AC 23 7 ? 22.260 30.844 39.208 1.00 88.13 ? 7 ILE j O 1 ? ? +42989 ATOM N N . PRO AC 23 8 ? 20.578 31.692 40.441 1.00 87.29 ? 8 PRO j N 1 ? ? +42990 ATOM C CA . PRO AC 23 8 ? 19.699 30.541 40.214 1.00 85.95 ? 8 PRO j CA 1 ? ? +42991 ATOM C CB . PRO AC 23 8 ? 18.366 30.964 40.848 1.00 86.19 ? 8 PRO j CB 1 ? ? +42992 ATOM C CG . PRO AC 23 8 ? 18.725 32.065 41.803 1.00 87.32 ? 8 PRO j CG 1 ? ? +42993 ATOM C CD . PRO AC 23 8 ? 19.923 32.757 41.220 1.00 87.50 ? 8 PRO j CD 1 ? ? +42994 ATOM C C . PRO AC 23 8 ? 19.535 30.242 38.729 1.00 84.57 ? 8 PRO j C 1 ? ? +42995 ATOM O O . PRO AC 23 8 ? 19.401 31.166 37.933 1.00 85.04 ? 8 PRO j O 1 ? ? +42996 ATOM N N . LEU AC 23 9 ? 19.540 28.952 38.376 1.00 83.28 ? 9 LEU j N 1 ? ? +42997 ATOM C CA . LEU AC 23 9 ? 19.509 28.531 36.984 1.00 81.76 ? 9 LEU j CA 1 ? ? +42998 ATOM C CB . LEU AC 23 9 ? 19.649 26.992 36.897 1.00 81.29 ? 9 LEU j CB 1 ? ? +42999 ATOM C CG . LEU AC 23 9 ? 20.309 26.360 35.627 1.00 80.69 ? 9 LEU j CG 1 ? ? +43000 ATOM C CD1 . LEU AC 23 9 ? 20.991 27.370 34.690 1.00 80.74 ? 9 LEU j CD1 1 ? ? +43001 ATOM C CD2 . LEU AC 23 9 ? 21.325 25.303 35.997 1.00 80.94 ? 9 LEU j CD2 1 ? ? +43002 ATOM C C . LEU AC 23 9 ? 18.229 28.949 36.259 1.00 80.61 ? 9 LEU j C 1 ? ? +43003 ATOM O O . LEU AC 23 9 ? 18.252 29.218 35.059 1.00 79.88 ? 9 LEU j O 1 ? ? +43004 ATOM N N . TRP AC 23 10 ? 17.110 29.003 36.991 1.00 80.38 ? 10 TRP j N 1 ? ? +43005 ATOM C CA . TRP AC 23 10 ? 15.839 29.364 36.385 1.00 79.63 ? 10 TRP j CA 1 ? ? +43006 ATOM C CB . TRP AC 23 10 ? 14.650 29.053 37.319 1.00 79.73 ? 10 TRP j CB 1 ? ? +43007 ATOM C CG . TRP AC 23 10 ? 14.474 29.958 38.501 1.00 80.26 ? 10 TRP j CG 1 ? ? +43008 ATOM C CD1 . TRP AC 23 10 ? 15.031 29.822 39.738 1.00 80.79 ? 10 TRP j CD1 1 ? ? +43009 ATOM N NE1 . TRP AC 23 10 ? 14.618 30.850 40.554 1.00 81.61 ? 10 TRP j NE1 1 ? ? +43010 ATOM C CE2 . TRP AC 23 10 ? 13.772 31.670 39.851 1.00 81.00 ? 10 TRP j CE2 1 ? ? +43011 ATOM C CZ2 . TRP AC 23 10 ? 13.122 32.838 40.235 1.00 81.34 ? 10 TRP j CZ2 1 ? ? +43012 ATOM C CH2 . TRP AC 23 10 ? 12.348 33.465 39.297 1.00 80.90 ? 10 TRP j CH2 1 ? ? +43013 ATOM C CZ3 . TRP AC 23 10 ? 12.219 32.963 38.003 1.00 79.91 ? 10 TRP j CZ3 1 ? ? +43014 ATOM C CE3 . TRP AC 23 10 ? 12.871 31.815 37.614 1.00 79.50 ? 10 TRP j CE3 1 ? ? +43015 ATOM C CD2 . TRP AC 23 10 ? 13.667 31.144 38.549 1.00 80.25 ? 10 TRP j CD2 1 ? ? +43016 ATOM C C . TRP AC 23 10 ? 15.815 30.825 35.938 1.00 79.83 ? 10 TRP j C 1 ? ? +43017 ATOM O O . TRP AC 23 10 ? 15.149 31.153 34.962 1.00 79.39 ? 10 TRP j O 1 ? ? +43018 ATOM N N . ILE AC 23 11 ? 16.549 31.695 36.644 1.00 80.70 ? 11 ILE j N 1 ? ? +43019 ATOM C CA . ILE AC 23 11 ? 16.649 33.095 36.256 1.00 80.92 ? 11 ILE j CA 1 ? ? +43020 ATOM C CB . ILE AC 23 11 ? 17.151 33.980 37.428 1.00 81.57 ? 11 ILE j CB 1 ? ? +43021 ATOM C CG1 . ILE AC 23 11 ? 16.204 33.882 38.624 1.00 81.91 ? 11 ILE j CG1 1 ? ? +43022 ATOM C CG2 . ILE AC 23 11 ? 17.326 35.437 37.008 1.00 81.73 ? 11 ILE j CG2 1 ? ? +43023 ATOM C CD1 . ILE AC 23 11 ? 16.705 34.551 39.829 1.00 82.89 ? 11 ILE j CD1 1 ? ? +43024 ATOM C C . ILE AC 23 11 ? 17.525 33.221 35.010 1.00 80.76 ? 11 ILE j C 1 ? ? +43025 ATOM O O . ILE AC 23 11 ? 17.197 33.980 34.098 1.00 80.89 ? 11 ILE j O 1 ? ? +43026 ATOM N N . VAL AC 23 12 ? 18.620 32.451 34.973 1.00 80.58 ? 12 VAL j N 1 ? ? +43027 ATOM C CA . VAL AC 23 12 ? 19.520 32.431 33.830 1.00 80.14 ? 12 VAL j CA 1 ? ? +43028 ATOM C CB . VAL AC 23 12 ? 20.723 31.470 34.023 1.00 80.19 ? 12 VAL j CB 1 ? ? +43029 ATOM C CG1 . VAL AC 23 12 ? 21.690 31.597 32.854 1.00 80.02 ? 12 VAL j CG1 1 ? ? +43030 ATOM C CG2 . VAL AC 23 12 ? 21.445 31.685 35.346 1.00 81.09 ? 12 VAL j CG2 1 ? ? +43031 ATOM C C . VAL AC 23 12 ? 18.752 32.031 32.571 1.00 79.21 ? 12 VAL j C 1 ? ? +43032 ATOM O O . VAL AC 23 12 ? 18.827 32.707 31.543 1.00 79.05 ? 12 VAL j O 1 ? ? +43033 ATOM N N . ALA AC 23 13 ? 18.019 30.915 32.676 1.00 78.53 ? 13 ALA j N 1 ? ? +43034 ATOM C CA . ALA AC 23 13 ? 17.231 30.396 31.571 1.00 77.20 ? 13 ALA j CA 1 ? ? +43035 ATOM C CB . ALA AC 23 13 ? 16.568 29.091 31.971 1.00 76.95 ? 13 ALA j CB 1 ? ? +43036 ATOM C C . ALA AC 23 13 ? 16.181 31.399 31.098 1.00 76.69 ? 13 ALA j C 1 ? ? +43037 ATOM O O . ALA AC 23 13 ? 15.972 31.535 29.897 1.00 76.00 ? 13 ALA j O 1 ? ? +43038 ATOM N N . THR AC 23 14 ? 15.537 32.101 32.042 1.00 77.17 ? 14 THR j N 1 ? ? +43039 ATOM C CA . THR AC 23 14 ? 14.488 33.053 31.704 1.00 77.44 ? 14 THR j CA 1 ? ? +43040 ATOM C CB . THR AC 23 14 ? 13.672 33.454 32.959 1.00 78.09 ? 14 THR j CB 1 ? ? +43041 ATOM O OG1 . THR AC 23 14 ? 13.143 32.290 33.597 1.00 77.85 ? 14 THR j OG1 1 ? ? +43042 ATOM C CG2 . THR AC 23 14 ? 12.515 34.372 32.626 1.00 78.00 ? 14 THR j CG2 1 ? ? +43043 ATOM C C . THR AC 23 14 ? 15.048 34.289 30.996 1.00 77.90 ? 14 THR j C 1 ? ? +43044 ATOM O O . THR AC 23 14 ? 14.467 34.757 30.013 1.00 77.42 ? 14 THR j O 1 ? ? +43045 ATOM N N . VAL AC 23 15 ? 16.176 34.810 31.500 1.00 78.81 ? 15 VAL j N 1 ? ? +43046 ATOM C CA . VAL AC 23 15 ? 16.845 35.947 30.884 1.00 79.31 ? 15 VAL j CA 1 ? ? +43047 ATOM C CB . VAL AC 23 15 ? 17.965 36.508 31.806 1.00 80.32 ? 15 VAL j CB 1 ? ? +43048 ATOM C CG1 . VAL AC 23 15 ? 19.013 37.307 31.020 1.00 80.35 ? 15 VAL j CG1 1 ? ? +43049 ATOM C CG2 . VAL AC 23 15 ? 17.373 37.343 32.938 1.00 80.85 ? 15 VAL j CG2 1 ? ? +43050 ATOM C C . VAL AC 23 15 ? 17.406 35.603 29.506 1.00 78.81 ? 15 VAL j C 1 ? ? +43051 ATOM O O . VAL AC 23 15 ? 17.263 36.384 28.568 1.00 78.88 ? 15 VAL j O 1 ? ? +43052 ATOM N N . ALA AC 23 16 ? 18.067 34.446 29.399 1.00 78.63 ? 16 ALA j N 1 ? ? +43053 ATOM C CA . ALA AC 23 16 ? 18.574 33.975 28.120 1.00 78.28 ? 16 ALA j CA 1 ? ? +43054 ATOM C CB . ALA AC 23 16 ? 19.323 32.668 28.294 1.00 78.32 ? 16 ALA j CB 1 ? ? +43055 ATOM C C . ALA AC 23 16 ? 17.455 33.791 27.099 1.00 77.62 ? 16 ALA j C 1 ? ? +43056 ATOM O O . ALA AC 23 16 ? 17.600 34.191 25.945 1.00 77.35 ? 16 ALA j O 1 ? ? +43057 ATOM N N . GLY AC 23 17 ? 16.351 33.172 27.537 1.00 77.48 ? 17 GLY j N 1 ? ? +43058 ATOM C CA . GLY AC 23 17 ? 15.196 32.952 26.684 1.00 76.96 ? 17 GLY j CA 1 ? ? +43059 ATOM C C . GLY AC 23 17 ? 14.611 34.245 26.124 1.00 77.19 ? 17 GLY j C 1 ? ? +43060 ATOM O O . GLY AC 23 17 ? 14.368 34.348 24.926 1.00 76.26 ? 17 GLY j O 1 ? ? +43061 ATOM N N . MET AC 23 18 ? 14.400 35.230 27.001 1.00 78.74 ? 18 MET j N 1 ? ? +43062 ATOM C CA . MET AC 23 18 ? 13.856 36.512 26.585 1.00 79.94 ? 18 MET j CA 1 ? ? +43063 ATOM C CB . MET AC 23 18 ? 13.614 37.408 27.803 1.00 82.05 ? 18 MET j CB 1 ? ? +43064 ATOM C CG . MET AC 23 18 ? 12.392 37.021 28.576 1.00 83.38 ? 18 MET j CG 1 ? ? +43065 ATOM S SD . MET AC 23 18 ? 12.268 37.929 30.132 1.00 87.12 ? 18 MET j SD 1 ? ? +43066 ATOM C CE . MET AC 23 18 ? 11.315 39.376 29.582 1.00 87.30 ? 18 MET j CE 1 ? ? +43067 ATOM C C . MET AC 23 18 ? 14.796 37.193 25.593 1.00 79.33 ? 18 MET j C 1 ? ? +43068 ATOM O O . MET AC 23 18 ? 14.347 37.786 24.615 1.00 78.92 ? 18 MET j O 1 ? ? +43069 ATOM N N . GLY AC 23 19 ? 16.104 37.092 25.852 1.00 78.90 ? 19 GLY j N 1 ? ? +43070 ATOM C CA . GLY AC 23 19 ? 17.118 37.578 24.933 1.00 78.29 ? 19 GLY j CA 1 ? ? +43071 ATOM C C . GLY AC 23 19 ? 16.929 37.038 23.519 1.00 76.95 ? 19 GLY j C 1 ? ? +43072 ATOM O O . GLY AC 23 19 ? 16.913 37.802 22.560 1.00 77.11 ? 19 GLY j O 1 ? ? +43073 ATOM N N . VAL AC 23 20 ? 16.785 35.716 23.408 1.00 75.99 ? 20 VAL j N 1 ? ? +43074 ATOM C CA . VAL AC 23 20 ? 16.519 35.067 22.134 1.00 75.21 ? 20 VAL j CA 1 ? ? +43075 ATOM C CB . VAL AC 23 20 ? 16.494 33.535 22.335 1.00 74.87 ? 20 VAL j CB 1 ? ? +43076 ATOM C CG1 . VAL AC 23 20 ? 15.765 32.813 21.196 1.00 74.16 ? 20 VAL j CG1 1 ? ? +43077 ATOM C CG2 . VAL AC 23 20 ? 17.917 33.003 22.518 1.00 74.76 ? 20 VAL j CG2 1 ? ? +43078 ATOM C C . VAL AC 23 20 ? 15.244 35.572 21.455 1.00 74.81 ? 20 VAL j C 1 ? ? +43079 ATOM O O . VAL AC 23 20 ? 15.236 35.779 20.245 1.00 74.56 ? 20 VAL j O 1 ? ? +43080 ATOM N N . ILE AC 23 21 ? 14.169 35.772 22.227 1.00 74.65 ? 21 ILE j N 1 ? ? +43081 ATOM C CA . ILE AC 23 21 ? 12.912 36.246 21.669 1.00 74.21 ? 21 ILE j CA 1 ? ? +43082 ATOM C CB . ILE AC 23 21 ? 11.796 36.199 22.738 1.00 74.69 ? 21 ILE j CB 1 ? ? +43083 ATOM C CG1 . ILE AC 23 21 ? 11.594 34.772 23.245 1.00 74.42 ? 21 ILE j CG1 1 ? ? +43084 ATOM C CG2 . ILE AC 23 21 ? 10.468 36.788 22.235 1.00 74.75 ? 21 ILE j CG2 1 ? ? +43085 ATOM C CD1 . ILE AC 23 21 ? 10.784 34.720 24.517 1.00 75.06 ? 21 ILE j CD1 1 ? ? +43086 ATOM C C . ILE AC 23 21 ? 13.063 37.647 21.080 1.00 74.33 ? 21 ILE j C 1 ? ? +43087 ATOM O O . ILE AC 23 21 ? 12.512 37.932 20.024 1.00 74.23 ? 21 ILE j O 1 ? ? +43088 ATOM N N . VAL AC 23 22 ? 13.809 38.520 21.763 1.00 74.89 ? 22 VAL j N 1 ? ? +43089 ATOM C CA . VAL AC 23 22 ? 14.003 39.879 21.285 1.00 75.00 ? 22 VAL j CA 1 ? ? +43090 ATOM C CB . VAL AC 23 22 ? 14.702 40.769 22.336 1.00 75.19 ? 22 VAL j CB 1 ? ? +43091 ATOM C CG1 . VAL AC 23 22 ? 15.025 42.139 21.761 1.00 75.58 ? 22 VAL j CG1 1 ? ? +43092 ATOM C CG2 . VAL AC 23 22 ? 13.857 40.915 23.589 1.00 75.33 ? 22 VAL j CG2 1 ? ? +43093 ATOM C C . VAL AC 23 22 ? 14.752 39.891 19.953 1.00 75.12 ? 22 VAL j C 1 ? ? +43094 ATOM O O . VAL AC 23 22 ? 14.374 40.616 19.042 1.00 75.47 ? 22 VAL j O 1 ? ? +43095 ATOM N N . ILE AC 23 23 ? 15.806 39.082 19.826 1.00 75.40 ? 23 ILE j N 1 ? ? +43096 ATOM C CA . ILE AC 23 23 ? 16.631 39.116 18.626 1.00 75.65 ? 23 ILE j CA 1 ? ? +43097 ATOM C CB . ILE AC 23 23 ? 18.025 38.453 18.883 1.00 76.44 ? 23 ILE j CB 1 ? ? +43098 ATOM C CG1 . ILE AC 23 23 ? 18.989 38.655 17.699 1.00 76.71 ? 23 ILE j CG1 1 ? ? +43099 ATOM C CG2 . ILE AC 23 23 ? 17.904 36.973 19.235 1.00 76.24 ? 23 ILE j CG2 1 ? ? +43100 ATOM C CD1 . ILE AC 23 23 ? 19.928 39.870 17.843 1.00 77.83 ? 23 ILE j CD1 1 ? ? +43101 ATOM C C . ILE AC 23 23 ? 15.876 38.502 17.444 1.00 74.48 ? 23 ILE j C 1 ? ? +43102 ATOM O O . ILE AC 23 23 ? 15.903 39.036 16.336 1.00 74.37 ? 23 ILE j O 1 ? ? +43103 ATOM N N . VAL AC 23 24 ? 15.176 37.391 17.691 1.00 73.68 ? 24 VAL j N 1 ? ? +43104 ATOM C CA . VAL AC 23 24 ? 14.349 36.766 16.671 1.00 72.43 ? 24 VAL j CA 1 ? ? +43105 ATOM C CB . VAL AC 23 24 ? 13.800 35.408 17.165 1.00 72.86 ? 24 VAL j CB 1 ? ? +43106 ATOM C CG1 . VAL AC 23 24 ? 12.667 34.879 16.267 1.00 72.38 ? 24 VAL j CG1 1 ? ? +43107 ATOM C CG2 . VAL AC 23 24 ? 14.932 34.388 17.283 1.00 73.05 ? 24 VAL j CG2 1 ? ? +43108 ATOM C C . VAL AC 23 24 ? 13.220 37.695 16.237 1.00 71.40 ? 24 VAL j C 1 ? ? +43109 ATOM O O . VAL AC 23 24 ? 12.966 37.831 15.046 1.00 71.15 ? 24 VAL j O 1 ? ? +43110 ATOM N N . GLY AC 23 25 ? 12.537 38.310 17.210 1.00 70.75 ? 25 GLY j N 1 ? ? +43111 ATOM C CA . GLY AC 23 25 ? 11.501 39.292 16.932 1.00 70.06 ? 25 GLY j CA 1 ? ? +43112 ATOM C C . GLY AC 23 25 ? 11.986 40.405 16.009 1.00 69.67 ? 25 GLY j C 1 ? ? +43113 ATOM O O . GLY AC 23 25 ? 11.256 40.838 15.122 1.00 69.23 ? 25 GLY j O 1 ? ? +43114 ATOM N N . LEU AC 23 26 ? 13.234 40.843 16.219 1.00 69.44 ? 26 LEU j N 1 ? ? +43115 ATOM C CA . LEU AC 23 26 ? 13.840 41.895 15.420 1.00 69.24 ? 26 LEU j CA 1 ? ? +43116 ATOM C CB . LEU AC 23 26 ? 15.202 42.287 16.055 1.00 69.89 ? 26 LEU j CB 1 ? ? +43117 ATOM C CG . LEU AC 23 26 ? 15.884 43.510 15.479 1.00 70.39 ? 26 LEU j CG 1 ? ? +43118 ATOM C CD1 . LEU AC 23 26 ? 15.256 44.769 16.024 1.00 71.08 ? 26 LEU j CD1 1 ? ? +43119 ATOM C CD2 . LEU AC 23 26 ? 17.385 43.492 15.756 1.00 70.76 ? 26 LEU j CD2 1 ? ? +43120 ATOM C C . LEU AC 23 26 ? 14.026 41.469 13.963 1.00 68.00 ? 26 LEU j C 1 ? ? +43121 ATOM O O . LEU AC 23 26 ? 13.868 42.276 13.049 1.00 67.71 ? 26 LEU j O 1 ? ? +43122 ATOM N N . PHE AC 23 27 ? 14.361 40.192 13.755 1.00 67.06 ? 27 PHE j N 1 ? ? +43123 ATOM C CA . PHE AC 23 27 ? 14.559 39.653 12.419 1.00 66.30 ? 27 PHE j CA 1 ? ? +43124 ATOM C CB . PHE AC 23 27 ? 15.229 38.282 12.500 1.00 65.84 ? 27 PHE j CB 1 ? ? +43125 ATOM C CG . PHE AC 23 27 ? 16.640 38.233 13.039 1.00 66.29 ? 27 PHE j CG 1 ? ? +43126 ATOM C CD1 . PHE AC 23 27 ? 17.379 39.391 13.211 1.00 66.98 ? 27 PHE j CD1 1 ? ? +43127 ATOM C CD2 . PHE AC 23 27 ? 17.226 37.023 13.374 1.00 65.96 ? 27 PHE j CD2 1 ? ? +43128 ATOM C CE1 . PHE AC 23 27 ? 18.670 39.334 13.704 1.00 67.45 ? 27 PHE j CE1 1 ? ? +43129 ATOM C CE2 . PHE AC 23 27 ? 18.515 36.974 13.864 1.00 66.34 ? 27 PHE j CE2 1 ? ? +43130 ATOM C CZ . PHE AC 23 27 ? 19.231 38.125 14.027 1.00 67.14 ? 27 PHE j CZ 1 ? ? +43131 ATOM C C . PHE AC 23 27 ? 13.255 39.522 11.635 1.00 65.76 ? 27 PHE j C 1 ? ? +43132 ATOM O O . PHE AC 23 27 ? 13.232 39.736 10.425 1.00 65.37 ? 27 PHE j O 1 ? ? +43133 ATOM N N . PHE AC 23 28 ? 12.176 39.144 12.329 1.00 65.63 ? 28 PHE j N 1 ? ? +43134 ATOM C CA . PHE AC 23 28 ? 10.847 39.157 11.740 1.00 65.37 ? 28 PHE j CA 1 ? ? +43135 ATOM C CB . PHE AC 23 28 ? 9.835 38.431 12.625 1.00 65.36 ? 28 PHE j CB 1 ? ? +43136 ATOM C CG . PHE AC 23 28 ? 9.930 36.942 12.444 1.00 64.93 ? 28 PHE j CG 1 ? ? +43137 ATOM C CD1 . PHE AC 23 28 ? 9.546 36.345 11.253 1.00 64.43 ? 28 PHE j CD1 1 ? ? +43138 ATOM C CD2 . PHE AC 23 28 ? 10.441 36.141 13.446 1.00 65.08 ? 28 PHE j CD2 1 ? ? +43139 ATOM C CE1 . PHE AC 23 28 ? 9.655 34.972 11.082 1.00 63.95 ? 28 PHE j CE1 1 ? ? +43140 ATOM C CE2 . PHE AC 23 28 ? 10.539 34.766 13.274 1.00 64.56 ? 28 PHE j CE2 1 ? ? +43141 ATOM C CZ . PHE AC 23 28 ? 10.154 34.192 12.092 1.00 63.98 ? 28 PHE j CZ 1 ? ? +43142 ATOM C C . PHE AC 23 28 ? 10.381 40.578 11.444 1.00 65.81 ? 28 PHE j C 1 ? ? +43143 ATOM O O . PHE AC 23 28 ? 9.801 40.819 10.392 1.00 65.83 ? 28 PHE j O 1 ? ? +43144 ATOM N N . TYR AC 23 29 ? 10.647 41.519 12.358 1.00 66.34 ? 29 TYR j N 1 ? ? +43145 ATOM C CA . TYR AC 23 29 ? 10.409 42.921 12.067 1.00 66.84 ? 29 TYR j CA 1 ? ? +43146 ATOM C CB . TYR AC 23 29 ? 10.915 43.838 13.202 1.00 67.97 ? 29 TYR j CB 1 ? ? +43147 ATOM C CG . TYR AC 23 29 ? 10.933 45.294 12.788 1.00 68.83 ? 29 TYR j CG 1 ? ? +43148 ATOM C CD1 . TYR AC 23 29 ? 9.747 46.011 12.654 1.00 69.12 ? 29 TYR j CD1 1 ? ? +43149 ATOM C CD2 . TYR AC 23 29 ? 12.133 45.934 12.454 1.00 69.23 ? 29 TYR j CD2 1 ? ? +43150 ATOM C CE1 . TYR AC 23 29 ? 9.750 47.335 12.236 1.00 69.90 ? 29 TYR j CE1 1 ? ? +43151 ATOM C CE2 . TYR AC 23 29 ? 12.148 47.258 12.033 1.00 69.94 ? 29 TYR j CE2 1 ? ? +43152 ATOM C CZ . TYR AC 23 29 ? 10.951 47.955 11.929 1.00 70.49 ? 29 TYR j CZ 1 ? ? +43153 ATOM O OH . TYR AC 23 29 ? 10.928 49.263 11.519 1.00 71.50 ? 29 TYR j OH 1 ? ? +43154 ATOM C C . TYR AC 23 29 ? 11.062 43.309 10.739 1.00 66.57 ? 29 TYR j C 1 ? ? +43155 ATOM O O . TYR AC 23 29 ? 10.433 43.957 9.908 1.00 66.75 ? 29 TYR j O 1 ? ? +43156 ATOM N N . GLY AC 23 30 ? 12.318 42.896 10.531 1.00 66.12 ? 30 GLY j N 1 ? ? +43157 ATOM C CA . GLY AC 23 30 ? 13.079 43.305 9.363 1.00 65.93 ? 30 GLY j CA 1 ? ? +43158 ATOM C C . GLY AC 23 30 ? 12.611 42.724 8.032 1.00 65.22 ? 30 GLY j C 1 ? ? +43159 ATOM O O . GLY AC 23 30 ? 13.014 43.203 6.969 1.00 65.18 ? 30 GLY j O 1 ? ? +43160 ATOM N N . ALA AC 23 31 ? 11.771 41.683 8.112 1.00 64.70 ? 31 ALA j N 1 ? ? +43161 ATOM C CA . ALA AC 23 31 ? 11.092 41.111 6.957 1.00 63.88 ? 31 ALA j CA 1 ? ? +43162 ATOM C CB . ALA AC 23 31 ? 10.477 39.774 7.333 1.00 63.22 ? 31 ALA j CB 1 ? ? +43163 ATOM C C . ALA AC 23 31 ? 10.009 42.031 6.399 1.00 64.07 ? 31 ALA j C 1 ? ? +43164 ATOM O O . ALA AC 23 31 ? 9.566 41.845 5.271 1.00 63.75 ? 31 ALA j O 1 ? ? +43165 ATOM N N . TYR AC 23 32 ? 9.576 43.005 7.207 1.00 64.66 ? 32 TYR j N 1 ? ? +43166 ATOM C CA . TYR AC 23 32 ? 8.533 43.941 6.824 1.00 65.04 ? 32 TYR j CA 1 ? ? +43167 ATOM C CB . TYR AC 23 32 ? 7.439 43.914 7.885 1.00 65.37 ? 32 TYR j CB 1 ? ? +43168 ATOM C CG . TYR AC 23 32 ? 6.719 42.592 7.972 1.00 65.03 ? 32 TYR j CG 1 ? ? +43169 ATOM C CD1 . TYR AC 23 32 ? 5.724 42.259 7.064 1.00 64.85 ? 32 TYR j CD1 1 ? ? +43170 ATOM C CD2 . TYR AC 23 32 ? 7.042 41.663 8.955 1.00 65.05 ? 32 TYR j CD2 1 ? ? +43171 ATOM C CE1 . TYR AC 23 32 ? 5.046 41.047 7.144 1.00 64.49 ? 32 TYR j CE1 1 ? ? +43172 ATOM C CE2 . TYR AC 23 32 ? 6.378 40.440 9.040 1.00 64.67 ? 32 TYR j CE2 1 ? ? +43173 ATOM C CZ . TYR AC 23 32 ? 5.373 40.138 8.134 1.00 64.39 ? 32 TYR j CZ 1 ? ? +43174 ATOM O OH . TYR AC 23 32 ? 4.697 38.940 8.193 1.00 64.12 ? 32 TYR j OH 1 ? ? +43175 ATOM C C . TYR AC 23 32 ? 9.038 45.371 6.655 1.00 65.63 ? 32 TYR j C 1 ? ? +43176 ATOM O O . TYR AC 23 32 ? 8.250 46.277 6.405 1.00 66.07 ? 32 TYR j O 1 ? ? +43177 ATOM N N . ALA AC 23 33 ? 10.353 45.566 6.786 1.00 65.74 ? 33 ALA j N 1 ? ? +43178 ATOM C CA . ALA AC 23 33 ? 10.943 46.886 6.671 1.00 66.26 ? 33 ALA j CA 1 ? ? +43179 ATOM C CB . ALA AC 23 33 ? 10.991 47.552 8.031 1.00 66.90 ? 33 ALA j CB 1 ? ? +43180 ATOM C C . ALA AC 23 33 ? 12.337 46.834 6.045 1.00 66.21 ? 33 ALA j C 1 ? ? +43181 ATOM O O . ALA AC 23 33 ? 13.084 45.852 6.181 1.00 66.02 ? 33 ALA j O 1 ? ? +43182 ATOM N N . GLY AC 23 34 ? 12.654 47.924 5.343 1.00 66.49 ? 34 GLY j N 1 ? ? +43183 ATOM C CA . GLY AC 23 34 ? 13.936 48.093 4.692 1.00 66.52 ? 34 GLY j CA 1 ? ? +43184 ATOM C C . GLY AC 23 34 ? 14.149 47.048 3.607 1.00 65.73 ? 34 GLY j C 1 ? ? +43185 ATOM O O . GLY AC 23 34 ? 13.201 46.591 2.972 1.00 65.19 ? 34 GLY j O 1 ? ? +43186 ATOM N N . LEU AC 23 35 ? 15.413 46.662 3.426 1.00 65.68 ? 35 LEU j N 1 ? ? +43187 ATOM C CA . LEU AC 23 35 ? 15.759 45.613 2.490 1.00 64.90 ? 35 LEU j CA 1 ? ? +43188 ATOM C CB . LEU AC 23 35 ? 17.229 45.259 2.640 1.00 65.05 ? 35 LEU j CB 1 ? ? +43189 ATOM C CG . LEU AC 23 35 ? 18.201 46.338 2.273 1.00 65.73 ? 35 LEU j CG 1 ? ? +43190 ATOM C CD1 . LEU AC 23 35 ? 19.605 45.800 2.299 1.00 65.76 ? 35 LEU j CD1 1 ? ? +43191 ATOM C CD2 . LEU AC 23 35 ? 17.889 46.903 0.917 1.00 65.78 ? 35 LEU j CD2 1 ? ? +43192 ATOM C C . LEU AC 23 35 ? 14.910 44.370 2.738 1.00 64.04 ? 35 LEU j C 1 ? ? +43193 ATOM O O . LEU AC 23 35 ? 14.639 44.012 3.889 1.00 64.38 ? 35 LEU j O 1 ? ? +43194 ATOM N N . GLY AC 23 36 ? 14.500 43.747 1.630 1.00 63.20 ? 36 GLY j N 1 ? ? +43195 ATOM C CA . GLY AC 23 36 ? 13.845 42.457 1.647 1.00 62.34 ? 36 GLY j CA 1 ? ? +43196 ATOM C C . GLY AC 23 36 ? 12.357 42.504 1.976 1.00 62.11 ? 36 GLY j C 1 ? ? +43197 ATOM O O . GLY AC 23 36 ? 11.741 41.459 2.161 1.00 61.42 ? 36 GLY j O 1 ? ? +43198 ATOM N N . SER AC 23 37 ? 11.791 43.713 2.040 1.00 62.65 ? 37 SER j N 1 ? ? +43199 ATOM C CA . SER AC 23 37 ? 10.398 43.882 2.429 1.00 62.58 ? 37 SER j CA 1 ? ? +43200 ATOM C CB . SER AC 23 37 ? 10.238 45.128 3.289 1.00 63.33 ? 37 SER j CB 1 ? ? +43201 ATOM O OG . SER AC 23 37 ? 10.139 46.298 2.501 1.00 63.79 ? 37 SER j OG 1 ? ? +43202 ATOM C C . SER AC 23 37 ? 9.437 43.968 1.244 1.00 62.23 ? 37 SER j C 1 ? ? +43203 ATOM O O . SER AC 23 37 ? 8.227 43.982 1.444 1.00 62.31 ? 37 SER j O 1 ? ? +43204 ATOM N N . SER AC 23 38 ? 9.988 44.038 0.023 1.00 61.95 ? 38 SER j N 1 ? ? +43205 ATOM C CA . SER AC 23 38 ? 9.223 44.190 -1.210 1.00 61.62 ? 38 SER j CA 1 ? ? +43206 ATOM C CB . SER AC 23 38 ? 7.990 43.278 -1.230 1.00 61.02 ? 38 SER j CB 1 ? ? +43207 ATOM O OG . SER AC 23 38 ? 6.828 43.911 -0.720 1.00 61.30 ? 38 SER j OG 1 ? ? +43208 ATOM C C . SER AC 23 38 ? 8.789 45.627 -1.504 1.00 62.23 ? 38 SER j C 1 ? ? +43209 ATOM O O . SER AC 23 38 ? 8.337 45.910 -2.609 1.00 62.14 ? 38 SER j O 1 ? ? +43210 ATOM N N . LEU AC 23 39 ? 8.951 46.532 -0.529 1.00 62.86 ? 39 LEU j N 1 ? ? +43211 ATOM C CA . LEU AC 23 39 ? 8.456 47.897 -0.624 1.00 63.58 ? 39 LEU j CA 1 ? ? +43212 ATOM C CB . LEU AC 23 39 ? 7.917 48.350 0.733 1.00 64.00 ? 39 LEU j CB 1 ? ? +43213 ATOM C CG . LEU AC 23 39 ? 6.750 47.545 1.269 1.00 63.61 ? 39 LEU j CG 1 ? ? +43214 ATOM C CD1 . LEU AC 23 39 ? 6.380 47.992 2.663 1.00 64.14 ? 39 LEU j CD1 1 ? ? +43215 ATOM C CD2 . LEU AC 23 39 ? 5.544 47.653 0.345 1.00 63.52 ? 39 LEU j CD2 1 ? ? +43216 ATOM C C . LEU AC 23 39 ? 9.535 48.863 -1.042 1.00 64.24 ? 39 LEU j C 1 ? ? +43217 ATOM O O . LEU AC 23 39 ? 10.732 48.597 -0.856 1.00 64.18 ? 39 LEU j O 1 ? ? +43218 ATOM O OXT . LEU AC 23 39 ? 9.206 49.933 -1.553 1.00 64.78 ? 39 LEU j OXT 1 ? ? +43219 ATOM N N . LYS AD 10 1 ? -11.262 52.152 13.963 1.00 84.78 ? 10 LYS k N 1 ? ? +43220 ATOM C CA . LYS AD 10 1 ? -10.503 52.754 15.056 1.00 85.05 ? 10 LYS k CA 1 ? ? +43221 ATOM C CB . LYS AD 10 1 ? -10.200 54.242 14.787 1.00 86.32 ? 10 LYS k CB 1 ? ? +43222 ATOM C CG . LYS AD 10 1 ? -8.933 54.471 13.946 1.00 86.96 ? 10 LYS k CG 1 ? ? +43223 ATOM C CD . LYS AD 10 1 ? -9.116 54.236 12.424 1.00 87.37 ? 10 LYS k CD 1 ? ? +43224 ATOM C CE . LYS AD 10 1 ? -7.829 54.326 11.619 1.00 87.42 ? 10 LYS k CE 1 ? ? +43225 ATOM N NZ . LYS AD 10 1 ? -7.022 53.080 11.736 1.00 87.07 ? 10 LYS k NZ 1 ? ? +43226 ATOM C C . LYS AD 10 1 ? -11.288 52.593 16.351 1.00 84.72 ? 10 LYS k C 1 ? ? +43227 ATOM O O . LYS AD 10 1 ? -12.479 52.302 16.318 1.00 85.43 ? 10 LYS k O 1 ? ? +43228 ATOM N N . LEU AD 10 2 ? -10.604 52.766 17.485 1.00 84.17 ? 11 LEU k N 1 ? ? +43229 ATOM C CA . LEU AD 10 2 ? -11.272 52.892 18.769 1.00 84.36 ? 11 LEU k CA 1 ? ? +43230 ATOM C CB . LEU AD 10 2 ? -10.277 52.817 19.932 1.00 84.44 ? 11 LEU k CB 1 ? ? +43231 ATOM C CG . LEU AD 10 2 ? -9.466 51.544 20.072 1.00 83.45 ? 11 LEU k CG 1 ? ? +43232 ATOM C CD1 . LEU AD 10 2 ? -8.270 51.766 20.988 1.00 83.58 ? 11 LEU k CD1 1 ? ? +43233 ATOM C CD2 . LEU AD 10 2 ? -10.325 50.412 20.586 1.00 83.01 ? 11 LEU k CD2 1 ? ? +43234 ATOM C C . LEU AD 10 2 ? -11.958 54.255 18.788 1.00 84.99 ? 11 LEU k C 1 ? ? +43235 ATOM O O . LEU AD 10 2 ? -11.523 55.176 18.097 1.00 84.98 ? 11 LEU k O 1 ? ? +43236 ATOM N N . PRO AD 10 3 ? -13.049 54.443 19.564 1.00 85.65 ? 12 PRO k N 1 ? ? +43237 ATOM C CA . PRO AD 10 3 ? -13.599 55.785 19.753 1.00 86.88 ? 12 PRO k CA 1 ? ? +43238 ATOM C CB . PRO AD 10 3 ? -14.703 55.581 20.793 1.00 87.17 ? 12 PRO k CB 1 ? ? +43239 ATOM C CG . PRO AD 10 3 ? -15.060 54.102 20.694 1.00 86.38 ? 12 PRO k CG 1 ? ? +43240 ATOM C CD . PRO AD 10 3 ? -13.795 53.396 20.283 1.00 85.43 ? 12 PRO k CD 1 ? ? +43241 ATOM C C . PRO AD 10 3 ? -12.485 56.725 20.208 1.00 87.89 ? 12 PRO k C 1 ? ? +43242 ATOM O O . PRO AD 10 3 ? -11.522 56.287 20.833 1.00 87.67 ? 12 PRO k O 1 ? ? +43243 ATOM N N . GLU AD 10 4 ? -12.625 58.011 19.869 1.00 89.23 ? 13 GLU k N 1 ? ? +43244 ATOM C CA . GLU AD 10 4 ? -11.585 59.005 20.088 1.00 90.39 ? 13 GLU k CA 1 ? ? +43245 ATOM C CB . GLU AD 10 4 ? -12.093 60.384 19.582 1.00 92.77 ? 13 GLU k CB 1 ? ? +43246 ATOM C CG . GLU AD 10 4 ? -11.038 61.489 19.612 1.00 94.93 ? 13 GLU k CG 1 ? ? +43247 ATOM C CD . GLU AD 10 4 ? -9.812 61.239 18.740 1.00 95.98 ? 13 GLU k CD 1 ? ? +43248 ATOM O OE1 . GLU AD 10 4 ? -9.914 60.432 17.785 1.00 95.44 ? 13 GLU k OE1 1 ? ? +43249 ATOM O OE2 . GLU AD 10 4 ? -8.743 61.834 19.022 1.00 97.74 ? 13 GLU k OE2 1 ? ? +43250 ATOM C C . GLU AD 10 4 ? -11.125 59.096 21.546 1.00 89.93 ? 13 GLU k C 1 ? ? +43251 ATOM O O . GLU AD 10 4 ? -9.940 59.273 21.827 1.00 89.80 ? 13 GLU k O 1 ? ? +43252 ATOM N N . ALA AD 10 5 ? -12.079 58.949 22.471 1.00 89.53 ? 14 ALA k N 1 ? ? +43253 ATOM C CA . ALA AD 10 5 ? -11.817 59.026 23.899 1.00 89.53 ? 14 ALA k CA 1 ? ? +43254 ATOM C CB . ALA AD 10 5 ? -13.136 58.896 24.649 1.00 90.19 ? 14 ALA k CB 1 ? ? +43255 ATOM C C . ALA AD 10 5 ? -10.826 57.985 24.422 1.00 88.37 ? 14 ALA k C 1 ? ? +43256 ATOM O O . ALA AD 10 5 ? -10.125 58.249 25.395 1.00 88.67 ? 14 ALA k O 1 ? ? +43257 ATOM N N . TYR AD 10 6 ? -10.791 56.806 23.782 1.00 87.03 ? 15 TYR k N 1 ? ? +43258 ATOM C CA . TYR AD 10 6 ? -9.918 55.708 24.175 1.00 86.00 ? 15 TYR k CA 1 ? ? +43259 ATOM C CB . TYR AD 10 6 ? -10.627 54.356 23.951 1.00 84.98 ? 15 TYR k CB 1 ? ? +43260 ATOM C CG . TYR AD 10 6 ? -11.935 54.197 24.686 1.00 84.98 ? 15 TYR k CG 1 ? ? +43261 ATOM C CD1 . TYR AD 10 6 ? -13.117 54.696 24.159 1.00 85.45 ? 15 TYR k CD1 1 ? ? +43262 ATOM C CD2 . TYR AD 10 6 ? -11.989 53.566 25.917 1.00 84.82 ? 15 TYR k CD2 1 ? ? +43263 ATOM C CE1 . TYR AD 10 6 ? -14.324 54.563 24.836 1.00 85.80 ? 15 TYR k CE1 1 ? ? +43264 ATOM C CE2 . TYR AD 10 6 ? -13.189 53.426 26.605 1.00 85.28 ? 15 TYR k CE2 1 ? ? +43265 ATOM C CZ . TYR AD 10 6 ? -14.355 53.924 26.059 1.00 85.80 ? 15 TYR k CZ 1 ? ? +43266 ATOM O OH . TYR AD 10 6 ? -15.540 53.791 26.734 1.00 86.73 ? 15 TYR k OH 1 ? ? +43267 ATOM C C . TYR AD 10 6 ? -8.592 55.664 23.416 1.00 85.21 ? 15 TYR k C 1 ? ? +43268 ATOM O O . TYR AD 10 6 ? -7.774 54.778 23.656 1.00 84.23 ? 15 TYR k O 1 ? ? +43269 ATOM N N . ALA AD 10 7 ? -8.388 56.625 22.508 1.00 85.70 ? 16 ALA k N 1 ? ? +43270 ATOM C CA . ALA AD 10 7 ? -7.291 56.577 21.555 1.00 85.53 ? 16 ALA k CA 1 ? ? +43271 ATOM C CB . ALA AD 10 7 ? -7.369 57.772 20.619 1.00 85.91 ? 16 ALA k CB 1 ? ? +43272 ATOM C C . ALA AD 10 7 ? -5.896 56.513 22.177 1.00 85.94 ? 16 ALA k C 1 ? ? +43273 ATOM O O . ALA AD 10 7 ? -4.969 56.027 21.536 1.00 85.46 ? 16 ALA k O 1 ? ? +43274 ATOM N N . ILE AD 10 8 ? -5.742 57.009 23.411 1.00 87.26 ? 17 ILE k N 1 ? ? +43275 ATOM C CA . ILE AD 10 8 ? -4.436 57.020 24.058 1.00 87.58 ? 17 ILE k CA 1 ? ? +43276 ATOM C CB . ILE AD 10 8 ? -4.358 58.028 25.253 1.00 88.52 ? 17 ILE k CB 1 ? ? +43277 ATOM C CG1 . ILE AD 10 8 ? -5.067 57.491 26.510 1.00 88.95 ? 17 ILE k CG1 1 ? ? +43278 ATOM C CG2 . ILE AD 10 8 ? -4.891 59.407 24.848 1.00 89.20 ? 17 ILE k CG2 1 ? ? +43279 ATOM C CD1 . ILE AD 10 8 ? -4.988 58.367 27.727 1.00 89.94 ? 17 ILE k CD1 1 ? ? +43280 ATOM C C . ILE AD 10 8 ? -4.022 55.616 24.497 1.00 86.98 ? 17 ILE k C 1 ? ? +43281 ATOM O O . ILE AD 10 8 ? -2.836 55.366 24.695 1.00 87.34 ? 17 ILE k O 1 ? ? +43282 ATOM N N . PHE AD 10 9 ? -5.004 54.713 24.649 1.00 86.52 ? 18 PHE k N 1 ? ? +43283 ATOM C CA . PHE AD 10 9 ? -4.753 53.331 25.029 1.00 85.97 ? 18 PHE k CA 1 ? ? +43284 ATOM C CB . PHE AD 10 9 ? -5.927 52.799 25.866 1.00 86.68 ? 18 PHE k CB 1 ? ? +43285 ATOM C CG . PHE AD 10 9 ? -6.052 53.507 27.190 1.00 88.14 ? 18 PHE k CG 1 ? ? +43286 ATOM C CD1 . PHE AD 10 9 ? -5.160 53.244 28.225 1.00 88.48 ? 18 PHE k CD1 1 ? ? +43287 ATOM C CD2 . PHE AD 10 9 ? -7.019 54.479 27.384 1.00 89.04 ? 18 PHE k CD2 1 ? ? +43288 ATOM C CE1 . PHE AD 10 9 ? -5.255 53.922 29.434 1.00 89.35 ? 18 PHE k CE1 1 ? ? +43289 ATOM C CE2 . PHE AD 10 9 ? -7.112 55.154 28.596 1.00 90.16 ? 18 PHE k CE2 1 ? ? +43290 ATOM C CZ . PHE AD 10 9 ? -6.231 54.872 29.614 1.00 90.39 ? 18 PHE k CZ 1 ? ? +43291 ATOM C C . PHE AD 10 9 ? -4.527 52.417 23.827 1.00 84.90 ? 18 PHE k C 1 ? ? +43292 ATOM O O . PHE AD 10 9 ? -4.386 51.208 23.987 1.00 84.00 ? 18 PHE k O 1 ? ? +43293 ATOM N N . ASP AD 10 10 ? -4.472 53.010 22.629 1.00 85.17 ? 19 ASP k N 1 ? ? +43294 ATOM C CA . ASP AD 10 10 ? -4.330 52.266 21.389 1.00 84.43 ? 19 ASP k CA 1 ? ? +43295 ATOM C CB . ASP AD 10 10 ? -4.310 53.253 20.198 1.00 85.53 ? 19 ASP k CB 1 ? ? +43296 ATOM C CG . ASP AD 10 10 ? -4.766 52.699 18.883 1.00 86.13 ? 19 ASP k CG 1 ? ? +43297 ATOM O OD1 . ASP AD 10 10 ? -5.998 52.630 18.665 1.00 87.33 ? 19 ASP k OD1 1 ? ? +43298 ATOM O OD2 . ASP AD 10 10 ? -3.894 52.312 18.071 1.00 86.79 ? 19 ASP k OD2 1 ? ? +43299 ATOM C C . ASP AD 10 10 ? -3.085 51.377 21.400 1.00 83.19 ? 19 ASP k C 1 ? ? +43300 ATOM O O . ASP AD 10 10 ? -3.162 50.220 20.988 1.00 82.95 ? 19 ASP k O 1 ? ? +43301 ATOM N N . PRO AD 10 11 ? -1.902 51.870 21.849 1.00 82.20 ? 20 PRO k N 1 ? ? +43302 ATOM C CA . PRO AD 10 11 ? -0.704 51.028 21.947 1.00 81.03 ? 20 PRO k CA 1 ? ? +43303 ATOM C CB . PRO AD 10 11 ? 0.382 52.013 22.390 1.00 81.92 ? 20 PRO k CB 1 ? ? +43304 ATOM C CG . PRO AD 10 11 ? -0.152 53.367 21.999 1.00 82.69 ? 20 PRO k CG 1 ? ? +43305 ATOM C CD . PRO AD 10 11 ? -1.625 53.264 22.226 1.00 82.80 ? 20 PRO k CD 1 ? ? +43306 ATOM C C . PRO AD 10 11 ? -0.814 49.863 22.927 1.00 79.87 ? 20 PRO k C 1 ? ? +43307 ATOM O O . PRO AD 10 11 ? -0.118 48.866 22.769 1.00 79.30 ? 20 PRO k O 1 ? ? +43308 ATOM N N . LEU AD 10 12 ? -1.669 50.009 23.944 1.00 79.69 ? 21 LEU k N 1 ? ? +43309 ATOM C CA . LEU AD 10 12 ? -1.942 48.924 24.872 1.00 79.42 ? 21 LEU k CA 1 ? ? +43310 ATOM C CB . LEU AD 10 12 ? -2.584 49.487 26.159 1.00 80.17 ? 21 LEU k CB 1 ? ? +43311 ATOM C CG . LEU AD 10 12 ? -2.944 48.486 27.256 1.00 79.92 ? 21 LEU k CG 1 ? ? +43312 ATOM C CD1 . LEU AD 10 12 ? -1.713 47.785 27.807 1.00 79.73 ? 21 LEU k CD1 1 ? ? +43313 ATOM C CD2 . LEU AD 10 12 ? -3.678 49.174 28.377 1.00 80.59 ? 21 LEU k CD2 1 ? ? +43314 ATOM C C . LEU AD 10 12 ? -2.838 47.870 24.217 1.00 78.84 ? 21 LEU k C 1 ? ? +43315 ATOM O O . LEU AD 10 12 ? -2.578 46.670 24.339 1.00 78.14 ? 21 LEU k O 1 ? ? +43316 ATOM N N . VAL AD 10 13 ? -3.881 48.323 23.503 1.00 78.84 ? 22 VAL k N 1 ? ? +43317 ATOM C CA . VAL AD 10 13 ? -4.793 47.420 22.816 1.00 78.06 ? 22 VAL k CA 1 ? ? +43318 ATOM C CB . VAL AD 10 13 ? -5.970 48.203 22.163 1.00 78.35 ? 22 VAL k CB 1 ? ? +43319 ATOM C CG1 . VAL AD 10 13 ? -6.766 47.336 21.191 1.00 77.82 ? 22 VAL k CG1 1 ? ? +43320 ATOM C CG2 . VAL AD 10 13 ? -6.881 48.800 23.214 1.00 79.10 ? 22 VAL k CG2 1 ? ? +43321 ATOM C C . VAL AD 10 13 ? -4.055 46.561 21.787 1.00 77.08 ? 22 VAL k C 1 ? ? +43322 ATOM O O . VAL AD 10 13 ? -4.406 45.397 21.599 1.00 76.20 ? 22 VAL k O 1 ? ? +43323 ATOM N N . ASP AD 10 14 ? -3.035 47.144 21.136 1.00 77.26 ? 23 ASP k N 1 ? ? +43324 ATOM C CA . ASP AD 10 14 ? -2.220 46.445 20.149 1.00 76.65 ? 23 ASP k CA 1 ? ? +43325 ATOM C CB . ASP AD 10 14 ? -1.189 47.398 19.502 1.00 77.23 ? 23 ASP k CB 1 ? ? +43326 ATOM C CG . ASP AD 10 14 ? -1.717 48.439 18.532 1.00 78.25 ? 23 ASP k CG 1 ? ? +43327 ATOM O OD1 . ASP AD 10 14 ? -2.956 48.603 18.438 1.00 79.15 ? 23 ASP k OD1 1 ? ? +43328 ATOM O OD2 . ASP AD 10 14 ? -0.898 49.104 17.882 1.00 79.09 ? 23 ASP k OD2 1 ? ? +43329 ATOM C C . ASP AD 10 14 ? -1.460 45.243 20.708 1.00 75.87 ? 23 ASP k C 1 ? ? +43330 ATOM O O . ASP AD 10 14 ? -1.133 44.324 19.962 1.00 75.39 ? 23 ASP k O 1 ? ? +43331 ATOM N N . VAL AD 10 15 ? -1.165 45.264 22.016 1.00 76.22 ? 24 VAL k N 1 ? ? +43332 ATOM C CA . VAL AD 10 15 ? -0.355 44.235 22.648 1.00 75.80 ? 24 VAL k CA 1 ? ? +43333 ATOM C CB . VAL AD 10 15 ? 0.694 44.919 23.556 1.00 76.75 ? 24 VAL k CB 1 ? ? +43334 ATOM C CG1 . VAL AD 10 15 ? 0.170 45.209 24.952 1.00 77.65 ? 24 VAL k CG1 1 ? ? +43335 ATOM C CG2 . VAL AD 10 15 ? 1.939 44.074 23.652 1.00 76.98 ? 24 VAL k CG2 1 ? ? +43336 ATOM C C . VAL AD 10 15 ? -1.162 43.178 23.409 1.00 75.37 ? 24 VAL k C 1 ? ? +43337 ATOM O O . VAL AD 10 15 ? -0.664 42.082 23.652 1.00 74.58 ? 24 VAL k O 1 ? ? +43338 ATOM N N . LEU AD 10 16 ? -2.415 43.497 23.763 1.00 75.55 ? 25 LEU k N 1 ? ? +43339 ATOM C CA . LEU AD 10 16 ? -3.209 42.620 24.608 1.00 75.45 ? 25 LEU k CA 1 ? ? +43340 ATOM C CB . LEU AD 10 16 ? -4.600 43.216 24.852 1.00 76.31 ? 25 LEU k CB 1 ? ? +43341 ATOM C CG . LEU AD 10 16 ? -4.705 44.482 25.711 1.00 77.38 ? 25 LEU k CG 1 ? ? +43342 ATOM C CD1 . LEU AD 10 16 ? -5.963 44.430 26.579 1.00 77.89 ? 25 LEU k CD1 1 ? ? +43343 ATOM C CD2 . LEU AD 10 16 ? -3.494 44.704 26.601 1.00 77.73 ? 25 LEU k CD2 1 ? ? +43344 ATOM C C . LEU AD 10 16 ? -3.398 41.209 24.065 1.00 74.55 ? 25 LEU k C 1 ? ? +43345 ATOM O O . LEU AD 10 16 ? -3.332 40.259 24.834 1.00 74.27 ? 25 LEU k O 1 ? ? +43346 ATOM N N . PRO AD 10 17 ? -3.669 41.018 22.752 1.00 74.35 ? 26 PRO k N 1 ? ? +43347 ATOM C CA . PRO AD 10 17 ? -3.914 39.678 22.206 1.00 73.91 ? 26 PRO k CA 1 ? ? +43348 ATOM C CB . PRO AD 10 17 ? -4.024 39.937 20.694 1.00 73.28 ? 26 PRO k CB 1 ? ? +43349 ATOM C CG . PRO AD 10 17 ? -4.449 41.375 20.582 1.00 73.71 ? 26 PRO k CG 1 ? ? +43350 ATOM C CD . PRO AD 10 17 ? -3.785 42.072 21.727 1.00 74.37 ? 26 PRO k CD 1 ? ? +43351 ATOM C C . PRO AD 10 17 ? -2.849 38.619 22.501 1.00 73.58 ? 26 PRO k C 1 ? ? +43352 ATOM O O . PRO AD 10 17 ? -3.171 37.434 22.565 1.00 73.24 ? 26 PRO k O 1 ? ? +43353 ATOM N N . VAL AD 10 18 ? -1.596 39.057 22.681 1.00 73.68 ? 27 VAL k N 1 ? ? +43354 ATOM C CA . VAL AD 10 18 ? -0.473 38.168 22.941 1.00 73.47 ? 27 VAL k CA 1 ? ? +43355 ATOM C CB . VAL AD 10 18 ? 0.857 38.954 22.690 1.00 74.31 ? 27 VAL k CB 1 ? ? +43356 ATOM C CG1 . VAL AD 10 18 ? 2.099 38.175 23.137 1.00 74.32 ? 27 VAL k CG1 1 ? ? +43357 ATOM C CG2 . VAL AD 10 18 ? 0.981 39.378 21.226 1.00 74.08 ? 27 VAL k CG2 1 ? ? +43358 ATOM C C . VAL AD 10 18 ? -0.472 37.552 24.342 1.00 73.29 ? 27 VAL k C 1 ? ? +43359 ATOM O O . VAL AD 10 18 ? 0.115 36.498 24.548 1.00 72.79 ? 27 VAL k O 1 ? ? +43360 ATOM N N . ILE AD 10 19 ? -1.129 38.203 25.305 1.00 73.84 ? 28 ILE k N 1 ? ? +43361 ATOM C CA . ILE AD 10 19 ? -1.008 37.829 26.707 1.00 74.15 ? 28 ILE k CA 1 ? ? +43362 ATOM C CB . ILE AD 10 19 ? -1.845 38.783 27.586 1.00 74.96 ? 28 ILE k CB 1 ? ? +43363 ATOM C CG1 . ILE AD 10 19 ? -1.285 40.207 27.530 1.00 75.42 ? 28 ILE k CG1 1 ? ? +43364 ATOM C CG2 . ILE AD 10 19 ? -1.920 38.283 29.028 1.00 75.61 ? 28 ILE k CG2 1 ? ? +43365 ATOM C CD1 . ILE AD 10 19 ? -2.140 41.255 28.268 1.00 76.29 ? 28 ILE k CD1 1 ? ? +43366 ATOM C C . ILE AD 10 19 ? -1.342 36.365 27.005 1.00 73.81 ? 28 ILE k C 1 ? ? +43367 ATOM O O . ILE AD 10 19 ? -0.700 35.766 27.866 1.00 74.07 ? 28 ILE k O 1 ? ? +43368 ATOM N N . PRO AD 10 20 ? -2.347 35.737 26.347 1.00 73.31 ? 29 PRO k N 1 ? ? +43369 ATOM C CA . PRO AD 10 20 ? -2.599 34.303 26.532 1.00 72.62 ? 29 PRO k CA 1 ? ? +43370 ATOM C CB . PRO AD 10 20 ? -3.722 34.028 25.541 1.00 72.49 ? 29 PRO k CB 1 ? ? +43371 ATOM C CG . PRO AD 10 20 ? -4.442 35.368 25.411 1.00 73.20 ? 29 PRO k CG 1 ? ? +43372 ATOM C CD . PRO AD 10 20 ? -3.331 36.373 25.453 1.00 73.43 ? 29 PRO k CD 1 ? ? +43373 ATOM C C . PRO AD 10 20 ? -1.391 33.400 26.282 1.00 71.76 ? 29 PRO k C 1 ? ? +43374 ATOM O O . PRO AD 10 20 ? -1.171 32.433 27.001 1.00 71.28 ? 29 PRO k O 1 ? ? +43375 ATOM N N . VAL AD 10 21 ? -0.600 33.725 25.258 1.00 71.48 ? 30 VAL k N 1 ? ? +43376 ATOM C CA . VAL AD 10 21 ? 0.627 33.000 24.962 1.00 70.96 ? 30 VAL k CA 1 ? ? +43377 ATOM C CB . VAL AD 10 21 ? 1.266 33.517 23.650 1.00 70.76 ? 30 VAL k CB 1 ? ? +43378 ATOM C CG1 . VAL AD 10 21 ? 2.703 32.997 23.480 1.00 70.64 ? 30 VAL k CG1 1 ? ? +43379 ATOM C CG2 . VAL AD 10 21 ? 0.400 33.161 22.440 1.00 70.20 ? 30 VAL k CG2 1 ? ? +43380 ATOM C C . VAL AD 10 21 ? 1.630 33.086 26.112 1.00 71.36 ? 30 VAL k C 1 ? ? +43381 ATOM O O . VAL AD 10 21 ? 2.405 32.159 26.341 1.00 71.51 ? 30 VAL k O 1 ? ? +43382 ATOM N N . LEU AD 10 22 ? 1.630 34.219 26.820 1.00 71.68 ? 31 LEU k N 1 ? ? +43383 ATOM C CA . LEU AD 10 22 ? 2.543 34.428 27.930 1.00 71.75 ? 31 LEU k CA 1 ? ? +43384 ATOM C CB . LEU AD 10 22 ? 2.491 35.905 28.380 1.00 72.37 ? 31 LEU k CB 1 ? ? +43385 ATOM C CG . LEU AD 10 22 ? 2.974 36.966 27.367 1.00 72.07 ? 31 LEU k CG 1 ? ? +43386 ATOM C CD1 . LEU AD 10 22 ? 3.074 38.318 28.012 1.00 72.72 ? 31 LEU k CD1 1 ? ? +43387 ATOM C CD2 . LEU AD 10 22 ? 4.321 36.620 26.749 1.00 71.68 ? 31 LEU k CD2 1 ? ? +43388 ATOM C C . LEU AD 10 22 ? 2.249 33.499 29.107 1.00 71.81 ? 31 LEU k C 1 ? ? +43389 ATOM O O . LEU AD 10 22 ? 3.162 33.151 29.850 1.00 71.93 ? 31 LEU k O 1 ? ? +43390 ATOM N N . PHE AD 10 23 ? 0.981 33.092 29.266 1.00 71.69 ? 32 PHE k N 1 ? ? +43391 ATOM C CA . PHE AD 10 23 ? 0.606 32.148 30.307 1.00 71.71 ? 32 PHE k CA 1 ? ? +43392 ATOM C CB . PHE AD 10 23 ? -0.917 32.003 30.414 1.00 71.85 ? 32 PHE k CB 1 ? ? +43393 ATOM C CG . PHE AD 10 23 ? -1.537 33.051 31.301 1.00 72.88 ? 32 PHE k CG 1 ? ? +43394 ATOM C CD1 . PHE AD 10 23 ? -1.881 34.294 30.802 1.00 73.13 ? 32 PHE k CD1 1 ? ? +43395 ATOM C CD2 . PHE AD 10 23 ? -1.731 32.810 32.648 1.00 73.74 ? 32 PHE k CD2 1 ? ? +43396 ATOM C CE1 . PHE AD 10 23 ? -2.439 35.259 31.627 1.00 73.87 ? 32 PHE k CE1 1 ? ? +43397 ATOM C CE2 . PHE AD 10 23 ? -2.287 33.778 33.469 1.00 74.48 ? 32 PHE k CE2 1 ? ? +43398 ATOM C CZ . PHE AD 10 23 ? -2.638 34.995 32.954 1.00 74.61 ? 32 PHE k CZ 1 ? ? +43399 ATOM C C . PHE AD 10 23 ? 1.250 30.782 30.093 1.00 70.92 ? 32 PHE k C 1 ? ? +43400 ATOM O O . PHE AD 10 23 ? 1.677 30.148 31.051 1.00 71.06 ? 32 PHE k O 1 ? ? +43401 ATOM N N . LEU AD 10 24 ? 1.313 30.340 28.835 1.00 70.10 ? 33 LEU k N 1 ? ? +43402 ATOM C CA . LEU AD 10 24 ? 1.969 29.085 28.511 1.00 69.67 ? 33 LEU k CA 1 ? ? +43403 ATOM C CB . LEU AD 10 24 ? 1.746 28.711 27.034 1.00 68.89 ? 33 LEU k CB 1 ? ? +43404 ATOM C CG . LEU AD 10 24 ? 2.551 27.500 26.538 1.00 68.35 ? 33 LEU k CG 1 ? ? +43405 ATOM C CD1 . LEU AD 10 24 ? 2.060 26.237 27.182 1.00 68.39 ? 33 LEU k CD1 1 ? ? +43406 ATOM C CD2 . LEU AD 10 24 ? 2.515 27.382 25.031 1.00 67.64 ? 33 LEU k CD2 1 ? ? +43407 ATOM C C . LEU AD 10 24 ? 3.465 29.161 28.819 1.00 69.88 ? 33 LEU k C 1 ? ? +43408 ATOM O O . LEU AD 10 24 ? 4.038 28.225 29.381 1.00 69.84 ? 33 LEU k O 1 ? ? +43409 ATOM N N . ALA AD 10 25 ? 4.093 30.279 28.434 1.00 70.05 ? 34 ALA k N 1 ? ? +43410 ATOM C CA . ALA AD 10 25 ? 5.500 30.513 28.730 1.00 70.13 ? 34 ALA k CA 1 ? ? +43411 ATOM C CB . ALA AD 10 25 ? 5.976 31.784 28.045 1.00 70.23 ? 34 ALA k CB 1 ? ? +43412 ATOM C C . ALA AD 10 25 ? 5.763 30.596 30.234 1.00 70.72 ? 34 ALA k C 1 ? ? +43413 ATOM O O . ALA AD 10 25 ? 6.785 30.112 30.711 1.00 70.90 ? 34 ALA k O 1 ? ? +43414 ATOM N N . LEU AD 10 26 ? 4.828 31.200 30.979 1.00 71.07 ? 35 LEU k N 1 ? ? +43415 ATOM C CA . LEU AD 10 26 ? 4.971 31.335 32.419 1.00 71.79 ? 35 LEU k CA 1 ? ? +43416 ATOM C CB . LEU AD 10 26 ? 3.819 32.182 33.004 1.00 72.24 ? 35 LEU k CB 1 ? ? +43417 ATOM C CG . LEU AD 10 26 ? 3.946 32.543 34.494 1.00 73.01 ? 35 LEU k CG 1 ? ? +43418 ATOM C CD1 . LEU AD 10 26 ? 5.169 33.389 34.743 1.00 73.54 ? 35 LEU k CD1 1 ? ? +43419 ATOM C CD2 . LEU AD 10 26 ? 2.734 33.272 35.004 1.00 73.38 ? 35 LEU k CD2 1 ? ? +43420 ATOM C C . LEU AD 10 26 ? 5.027 29.975 33.113 1.00 71.99 ? 35 LEU k C 1 ? ? +43421 ATOM O O . LEU AD 10 26 ? 5.712 29.825 34.124 1.00 72.65 ? 35 LEU k O 1 ? ? +43422 ATOM N N . ALA AD 10 27 ? 4.303 28.987 32.570 1.00 71.56 ? 36 ALA k N 1 ? ? +43423 ATOM C CA . ALA AD 10 27 ? 4.304 27.644 33.128 1.00 71.34 ? 36 ALA k CA 1 ? ? +43424 ATOM C CB . ALA AD 10 27 ? 3.400 26.718 32.325 1.00 70.64 ? 36 ALA k CB 1 ? ? +43425 ATOM C C . ALA AD 10 27 ? 5.724 27.088 33.189 1.00 71.10 ? 36 ALA k C 1 ? ? +43426 ATOM O O . ALA AD 10 27 ? 6.076 26.415 34.152 1.00 71.39 ? 36 ALA k O 1 ? ? +43427 ATOM N N . PHE AD 10 28 ? 6.532 27.387 32.165 1.00 70.78 ? 37 PHE k N 1 ? ? +43428 ATOM C CA . PHE AD 10 28 ? 7.914 26.933 32.117 1.00 70.82 ? 37 PHE k CA 1 ? ? +43429 ATOM C CB . PHE AD 10 28 ? 8.472 27.016 30.690 1.00 70.21 ? 37 PHE k CB 1 ? ? +43430 ATOM C CG . PHE AD 10 28 ? 7.949 25.905 29.829 1.00 69.56 ? 37 PHE k CG 1 ? ? +43431 ATOM C CD1 . PHE AD 10 28 ? 6.653 25.940 29.330 1.00 69.57 ? 37 PHE k CD1 1 ? ? +43432 ATOM C CD2 . PHE AD 10 28 ? 8.725 24.795 29.568 1.00 69.22 ? 37 PHE k CD2 1 ? ? +43433 ATOM C CE1 . PHE AD 10 28 ? 6.163 24.896 28.558 1.00 68.99 ? 37 PHE k CE1 1 ? ? +43434 ATOM C CE2 . PHE AD 10 28 ? 8.234 23.752 28.795 1.00 68.69 ? 37 PHE k CE2 1 ? ? +43435 ATOM C CZ . PHE AD 10 28 ? 6.960 23.807 28.296 1.00 68.59 ? 37 PHE k CZ 1 ? ? +43436 ATOM C C . PHE AD 10 28 ? 8.828 27.684 33.082 1.00 71.63 ? 37 PHE k C 1 ? ? +43437 ATOM O O . PHE AD 10 28 ? 9.724 27.070 33.655 1.00 72.24 ? 37 PHE k O 1 ? ? +43438 ATOM N N . VAL AD 10 29 ? 8.594 28.992 33.265 1.00 71.97 ? 38 VAL k N 1 ? ? +43439 ATOM C CA . VAL AD 10 29 ? 9.314 29.765 34.268 1.00 72.60 ? 38 VAL k CA 1 ? ? +43440 ATOM C CB . VAL AD 10 29 ? 8.949 31.270 34.275 1.00 72.87 ? 38 VAL k CB 1 ? ? +43441 ATOM C CG1 . VAL AD 10 29 ? 9.721 32.011 35.355 1.00 73.69 ? 38 VAL k CG1 1 ? ? +43442 ATOM C CG2 . VAL AD 10 29 ? 9.176 31.908 32.920 1.00 72.40 ? 38 VAL k CG2 1 ? ? +43443 ATOM C C . VAL AD 10 29 ? 9.042 29.173 35.648 1.00 73.18 ? 38 VAL k C 1 ? ? +43444 ATOM O O . VAL AD 10 29 ? 9.968 28.937 36.421 1.00 74.04 ? 38 VAL k O 1 ? ? +43445 ATOM N N . TRP AD 10 30 ? 7.756 28.951 35.941 1.00 72.93 ? 39 TRP k N 1 ? ? +43446 ATOM C CA . TRP AD 10 30 ? 7.339 28.351 37.195 1.00 73.18 ? 39 TRP k CA 1 ? ? +43447 ATOM C CB . TRP AD 10 30 ? 5.819 28.259 37.223 1.00 73.09 ? 39 TRP k CB 1 ? ? +43448 ATOM C CG . TRP AD 10 30 ? 5.277 27.397 38.305 1.00 73.46 ? 39 TRP k CG 1 ? ? +43449 ATOM C CD1 . TRP AD 10 30 ? 5.515 27.495 39.643 1.00 74.26 ? 39 TRP k CD1 1 ? ? +43450 ATOM N NE1 . TRP AD 10 30 ? 4.816 26.524 40.317 1.00 74.43 ? 39 TRP k NE1 1 ? ? +43451 ATOM C CE2 . TRP AD 10 30 ? 4.111 25.777 39.410 1.00 73.77 ? 39 TRP k CE2 1 ? ? +43452 ATOM C CZ2 . TRP AD 10 30 ? 3.263 24.692 39.597 1.00 73.65 ? 39 TRP k CZ2 1 ? ? +43453 ATOM C CH2 . TRP AD 10 30 ? 2.684 24.146 38.484 1.00 72.84 ? 39 TRP k CH2 1 ? ? +43454 ATOM C CZ3 . TRP AD 10 30 ? 2.936 24.648 37.203 1.00 72.26 ? 39 TRP k CZ3 1 ? ? +43455 ATOM C CE3 . TRP AD 10 30 ? 3.778 25.720 37.014 1.00 72.42 ? 39 TRP k CE3 1 ? ? +43456 ATOM C CD2 . TRP AD 10 30 ? 4.380 26.308 38.132 1.00 73.18 ? 39 TRP k CD2 1 ? ? +43457 ATOM C C . TRP AD 10 30 ? 7.982 26.987 37.433 1.00 72.75 ? 39 TRP k C 1 ? ? +43458 ATOM O O . TRP AD 10 30 ? 8.561 26.750 38.488 1.00 73.22 ? 39 TRP k O 1 ? ? +43459 ATOM N N . GLN AD 10 31 ? 7.893 26.096 36.442 1.00 71.87 ? 40 GLN k N 1 ? ? +43460 ATOM C CA . GLN AD 10 31 ? 8.434 24.758 36.597 1.00 71.55 ? 40 GLN k CA 1 ? ? +43461 ATOM C CB . GLN AD 10 31 ? 8.030 23.842 35.431 1.00 70.74 ? 40 GLN k CB 1 ? ? +43462 ATOM C CG . GLN AD 10 31 ? 6.636 23.266 35.565 1.00 70.65 ? 40 GLN k CG 1 ? ? +43463 ATOM C CD . GLN AD 10 31 ? 6.432 22.504 36.849 1.00 71.26 ? 40 GLN k CD 1 ? ? +43464 ATOM O OE1 . GLN AD 10 31 ? 7.175 21.569 37.201 1.00 71.28 ? 40 GLN k OE1 1 ? ? +43465 ATOM N NE2 . GLN AD 10 31 ? 5.410 22.869 37.587 1.00 71.95 ? 40 GLN k NE2 1 ? ? +43466 ATOM C C . GLN AD 10 31 ? 9.952 24.759 36.752 1.00 71.56 ? 40 GLN k C 1 ? ? +43467 ATOM O O . GLN AD 10 31 ? 10.492 23.903 37.445 1.00 71.98 ? 40 GLN k O 1 ? ? +43468 ATOM N N . ALA AD 10 32 ? 10.638 25.706 36.101 1.00 71.19 ? 41 ALA k N 1 ? ? +43469 ATOM C CA . ALA AD 10 32 ? 12.079 25.841 36.253 1.00 71.08 ? 41 ALA k CA 1 ? ? +43470 ATOM C CB . ALA AD 10 32 ? 12.630 26.831 35.243 1.00 70.86 ? 41 ALA k CB 1 ? ? +43471 ATOM C C . ALA AD 10 32 ? 12.439 26.274 37.673 1.00 71.79 ? 41 ALA k C 1 ? ? +43472 ATOM O O . ALA AD 10 32 ? 13.440 25.823 38.226 1.00 72.08 ? 41 ALA k O 1 ? ? +43473 ATOM N N . ALA AD 10 33 ? 11.600 27.130 38.266 1.00 72.00 ? 42 ALA k N 1 ? ? +43474 ATOM C CA . ALA AD 10 33 ? 11.805 27.589 39.628 1.00 72.82 ? 42 ALA k CA 1 ? ? +43475 ATOM C CB . ALA AD 10 33 ? 10.858 28.733 39.941 1.00 73.23 ? 42 ALA k CB 1 ? ? +43476 ATOM C C . ALA AD 10 33 ? 11.654 26.496 40.682 1.00 73.15 ? 42 ALA k C 1 ? ? +43477 ATOM O O . ALA AD 10 33 ? 12.245 26.599 41.746 1.00 73.89 ? 42 ALA k O 1 ? ? +43478 ATOM N N . VAL AD 10 34 ? 10.846 25.465 40.413 1.00 72.86 ? 43 VAL k N 1 ? ? +43479 ATOM C CA . VAL AD 10 34 ? 10.689 24.367 41.358 1.00 73.29 ? 43 VAL k CA 1 ? ? +43480 ATOM C CB . VAL AD 10 34 ? 9.195 24.112 41.716 1.00 73.26 ? 43 VAL k CB 1 ? ? +43481 ATOM C CG1 . VAL AD 10 34 ? 8.549 25.372 42.284 1.00 73.89 ? 43 VAL k CG1 1 ? ? +43482 ATOM C CG2 . VAL AD 10 34 ? 8.399 23.575 40.524 1.00 72.32 ? 43 VAL k CG2 1 ? ? +43483 ATOM C C . VAL AD 10 34 ? 11.378 23.093 40.863 1.00 73.05 ? 43 VAL k C 1 ? ? +43484 ATOM O O . VAL AD 10 34 ? 11.080 22.005 41.351 1.00 73.12 ? 43 VAL k O 1 ? ? +43485 ATOM N N . GLY AD 10 35 ? 12.302 23.244 39.901 1.00 72.81 ? 44 GLY k N 1 ? ? +43486 ATOM C CA . GLY AD 10 35 ? 13.221 22.187 39.511 1.00 72.53 ? 44 GLY k CA 1 ? ? +43487 ATOM C C . GLY AD 10 35 ? 12.636 21.082 38.636 1.00 72.15 ? 44 GLY k C 1 ? ? +43488 ATOM O O . GLY AD 10 35 ? 13.235 20.013 38.524 1.00 71.91 ? 44 GLY k O 1 ? ? +43489 ATOM N N . PHE AD 10 36 ? 11.478 21.351 38.011 1.00 72.19 ? 45 PHE k N 1 ? ? +43490 ATOM C CA . PHE AD 10 36 ? 10.755 20.366 37.219 1.00 71.68 ? 45 PHE k CA 1 ? ? +43491 ATOM C CB . PHE AD 10 36 ? 11.518 20.043 35.927 1.00 71.30 ? 45 PHE k CB 1 ? ? +43492 ATOM C CG . PHE AD 10 36 ? 11.642 21.186 34.948 1.00 71.57 ? 45 PHE k CG 1 ? ? +43493 ATOM C CD1 . PHE AD 10 36 ? 10.572 21.555 34.145 1.00 71.46 ? 45 PHE k CD1 1 ? ? +43494 ATOM C CD2 . PHE AD 10 36 ? 12.834 21.886 34.820 1.00 71.98 ? 45 PHE k CD2 1 ? ? +43495 ATOM C CE1 . PHE AD 10 36 ? 10.695 22.602 33.235 1.00 71.38 ? 45 PHE k CE1 1 ? ? +43496 ATOM C CE2 . PHE AD 10 36 ? 12.953 22.933 33.912 1.00 71.78 ? 45 PHE k CE2 1 ? ? +43497 ATOM C CZ . PHE AD 10 36 ? 11.887 23.286 33.126 1.00 71.56 ? 45 PHE k CZ 1 ? ? +43498 ATOM C C . PHE AD 10 36 ? 10.505 19.087 38.015 1.00 71.82 ? 45 PHE k C 1 ? ? +43499 ATOM O O . PHE AD 10 36 ? 10.647 17.984 37.495 1.00 71.46 ? 45 PHE k O 1 ? ? +43500 ATOM N N . ARG AD 10 37 ? 10.133 19.246 39.287 1.00 72.57 ? 46 ARG k N 1 ? ? +43501 ATOM C CA . ARG AD 10 37 ? 9.953 18.115 40.181 1.00 73.07 ? 46 ARG k CA 1 ? ? +43502 ATOM C CB . ARG AD 10 37 ? 9.820 18.604 41.629 1.00 74.00 ? 46 ARG k CB 1 ? ? +43503 ATOM C CG . ARG AD 10 37 ? 8.558 19.405 41.880 1.00 74.34 ? 46 ARG k CG 1 ? ? +43504 ATOM C CD . ARG AD 10 37 ? 8.592 20.114 43.213 1.00 75.32 ? 46 ARG k CD 1 ? ? +43505 ATOM N NE . ARG AD 10 37 ? 7.501 21.074 43.331 1.00 75.51 ? 46 ARG k NE 1 ? ? +43506 ATOM C CZ . ARG AD 10 37 ? 7.325 21.889 44.359 1.00 76.31 ? 46 ARG k CZ 1 ? ? +43507 ATOM N NH1 . ARG AD 10 37 ? 8.161 21.900 45.382 1.00 77.13 ? 46 ARG k NH1 1 ? ? +43508 ATOM N NH2 . ARG AD 10 37 ? 6.265 22.694 44.375 1.00 76.59 ? 46 ARG k NH2 1 ? ? +43509 ATOM C C . ARG AD 10 37 ? 8.728 17.282 39.787 1.00 72.91 ? 46 ARG k C 1 ? ? +43510 ATOM O O . ARG AD 10 37 ? 7.789 17.802 39.156 1.00 72.79 ? 46 ARG k O 1 ? ? +43511 ATOM O OXT . ARG AD 10 37 ? 8.681 16.087 40.102 1.00 73.06 ? 46 ARG k OXT 1 ? ? +43512 ATOM N N . GLU AE 11 1 ? 44.167 -35.144 -2.745 1.00 114.56 ? 2 GLU l N 1 ? ? +43513 ATOM C CA . GLU AE 11 1 ? 44.326 -34.843 -1.317 1.00 118.04 ? 2 GLU l CA 1 ? ? +43514 ATOM C CB . GLU AE 11 1 ? 45.565 -33.947 -1.037 1.00 123.22 ? 2 GLU l CB 1 ? ? +43515 ATOM C CG . GLU AE 11 1 ? 46.840 -34.325 -1.780 1.00 129.22 ? 2 GLU l CG 1 ? ? +43516 ATOM C CD . GLU AE 11 1 ? 46.861 -33.957 -3.255 1.00 133.85 ? 2 GLU l CD 1 ? ? +43517 ATOM O OE1 . GLU AE 11 1 ? 46.492 -32.807 -3.588 1.00 130.79 ? 2 GLU l OE1 1 ? ? +43518 ATOM O OE2 . GLU AE 11 1 ? 47.261 -34.816 -4.075 1.00 139.84 ? 2 GLU l OE2 1 ? ? +43519 ATOM C C . GLU AE 11 1 ? 43.052 -34.145 -0.835 1.00 113.44 ? 2 GLU l C 1 ? ? +43520 ATOM O O . GLU AE 11 1 ? 42.588 -33.204 -1.479 1.00 105.79 ? 2 GLU l O 1 ? ? +43521 ATOM N N . PRO AE 11 2 ? 42.429 -34.580 0.292 1.00 110.33 ? 3 PRO l N 1 ? ? +43522 ATOM C CA . PRO AE 11 2 ? 41.199 -33.941 0.785 1.00 101.92 ? 3 PRO l CA 1 ? ? +43523 ATOM C CB . PRO AE 11 2 ? 40.639 -34.953 1.806 1.00 103.51 ? 3 PRO l CB 1 ? ? +43524 ATOM C CG . PRO AE 11 2 ? 41.548 -36.209 1.708 1.00 107.33 ? 3 PRO l CG 1 ? ? +43525 ATOM C CD . PRO AE 11 2 ? 42.861 -35.710 1.137 1.00 110.36 ? 3 PRO l CD 1 ? ? +43526 ATOM C C . PRO AE 11 2 ? 41.456 -32.574 1.425 1.00 94.62 ? 3 PRO l C 1 ? ? +43527 ATOM O O . PRO AE 11 2 ? 42.243 -32.467 2.363 1.00 95.13 ? 3 PRO l O 1 ? ? +43528 ATOM N N . ASN AE 11 3 ? 40.805 -31.531 0.895 1.00 86.62 ? 4 ASN l N 1 ? ? +43529 ATOM C CA . ASN AE 11 3 ? 41.090 -30.164 1.300 1.00 81.78 ? 4 ASN l CA 1 ? ? +43530 ATOM C CB . ASN AE 11 3 ? 40.659 -29.182 0.206 1.00 79.40 ? 4 ASN l CB 1 ? ? +43531 ATOM C CG . ASN AE 11 3 ? 41.146 -27.768 0.416 1.00 77.41 ? 4 ASN l CG 1 ? ? +43532 ATOM O OD1 . ASN AE 11 3 ? 40.821 -27.088 1.391 1.00 76.22 ? 4 ASN l OD1 1 ? ? +43533 ATOM N ND2 . ASN AE 11 3 ? 41.920 -27.272 -0.520 1.00 76.14 ? 4 ASN l ND2 1 ? ? +43534 ATOM C C . ASN AE 11 3 ? 40.396 -29.850 2.625 1.00 79.44 ? 4 ASN l C 1 ? ? +43535 ATOM O O . ASN AE 11 3 ? 39.178 -29.962 2.728 1.00 78.80 ? 4 ASN l O 1 ? ? +43536 ATOM N N . PRO AE 11 4 ? 41.133 -29.410 3.673 1.00 77.18 ? 5 PRO l N 1 ? ? +43537 ATOM C CA . PRO AE 11 4 ? 40.525 -29.151 4.983 1.00 75.98 ? 5 PRO l CA 1 ? ? +43538 ATOM C CB . PRO AE 11 4 ? 41.756 -29.136 5.911 1.00 76.06 ? 5 PRO l CB 1 ? ? +43539 ATOM C CG . PRO AE 11 4 ? 42.863 -28.624 5.046 1.00 75.94 ? 5 PRO l CG 1 ? ? +43540 ATOM C CD . PRO AE 11 4 ? 42.583 -29.134 3.652 1.00 75.94 ? 5 PRO l CD 1 ? ? +43541 ATOM C C . PRO AE 11 4 ? 39.728 -27.849 5.130 1.00 74.26 ? 5 PRO l C 1 ? ? +43542 ATOM O O . PRO AE 11 4 ? 39.126 -27.617 6.175 1.00 73.49 ? 5 PRO l O 1 ? ? +43543 ATOM N N . ASN AE 11 5 ? 39.740 -26.996 4.095 1.00 72.91 ? 6 ASN l N 1 ? ? +43544 ATOM C CA . ASN AE 11 5 ? 39.137 -25.672 4.155 1.00 72.06 ? 6 ASN l CA 1 ? ? +43545 ATOM C CB . ASN AE 11 5 ? 39.959 -24.672 3.328 1.00 71.01 ? 6 ASN l CB 1 ? ? +43546 ATOM C CG . ASN AE 11 5 ? 41.404 -24.585 3.746 1.00 71.73 ? 6 ASN l CG 1 ? ? +43547 ATOM O OD1 . ASN AE 11 5 ? 42.314 -24.966 3.009 1.00 71.59 ? 6 ASN l OD1 1 ? ? +43548 ATOM N ND2 . ASN AE 11 5 ? 41.658 -24.086 4.935 1.00 72.17 ? 6 ASN l ND2 1 ? ? +43549 ATOM C C . ASN AE 11 5 ? 37.686 -25.655 3.668 1.00 72.52 ? 6 ASN l C 1 ? ? +43550 ATOM O O . ASN AE 11 5 ? 37.027 -24.619 3.685 1.00 70.15 ? 6 ASN l O 1 ? ? +43551 ATOM N N . ARG AE 11 6 ? 37.187 -26.808 3.218 1.00 74.90 ? 7 ARG l N 1 ? ? +43552 ATOM C CA . ARG AE 11 6 ? 35.784 -26.930 2.869 1.00 78.54 ? 7 ARG l CA 1 ? ? +43553 ATOM C CB . ARG AE 11 6 ? 35.484 -28.337 2.338 1.00 84.52 ? 7 ARG l CB 1 ? ? +43554 ATOM C CG . ARG AE 11 6 ? 36.115 -28.598 0.947 1.00 90.82 ? 7 ARG l CG 1 ? ? +43555 ATOM C CD . ARG AE 11 6 ? 35.439 -29.734 0.152 1.00 96.18 ? 7 ARG l CD 1 ? ? +43556 ATOM N NE . ARG AE 11 6 ? 34.086 -29.393 -0.299 1.00 101.15 ? 7 ARG l NE 1 ? ? +43557 ATOM C CZ . ARG AE 11 6 ? 33.253 -30.231 -0.912 1.00 103.86 ? 7 ARG l CZ 1 ? ? +43558 ATOM N NH1 . ARG AE 11 6 ? 33.645 -31.430 -1.315 1.00 106.87 ? 7 ARG l NH1 1 ? ? +43559 ATOM N NH2 . ARG AE 11 6 ? 31.994 -29.853 -1.130 1.00 101.21 ? 7 ARG l NH2 1 ? ? +43560 ATOM C C . ARG AE 11 6 ? 34.896 -26.592 4.064 1.00 76.09 ? 7 ARG l C 1 ? ? +43561 ATOM O O . ARG AE 11 6 ? 35.286 -26.811 5.208 1.00 76.93 ? 7 ARG l O 1 ? ? +43562 ATOM N N . GLN AE 11 7 ? 33.716 -26.031 3.762 1.00 71.78 ? 8 GLN l N 1 ? ? +43563 ATOM C CA . GLN AE 11 7 ? 32.723 -25.608 4.739 1.00 69.54 ? 8 GLN l CA 1 ? ? +43564 ATOM C CB . GLN AE 11 7 ? 32.885 -24.111 5.068 1.00 71.01 ? 8 GLN l CB 1 ? ? +43565 ATOM C CG . GLN AE 11 7 ? 34.100 -23.688 5.878 1.00 72.77 ? 8 GLN l CG 1 ? ? +43566 ATOM C CD . GLN AE 11 7 ? 33.890 -23.860 7.345 1.00 74.41 ? 8 GLN l CD 1 ? ? +43567 ATOM O OE1 . GLN AE 11 7 ? 32.995 -24.566 7.787 1.00 75.79 ? 8 GLN l OE1 1 ? ? +43568 ATOM N NE2 . GLN AE 11 7 ? 34.727 -23.233 8.139 1.00 76.27 ? 8 GLN l NE2 1 ? ? +43569 ATOM C C . GLN AE 11 7 ? 31.337 -25.788 4.116 1.00 65.76 ? 8 GLN l C 1 ? ? +43570 ATOM O O . GLN AE 11 7 ? 31.161 -25.502 2.932 1.00 63.87 ? 8 GLN l O 1 ? ? +43571 ATOM N N . PRO AE 11 8 ? 30.297 -26.223 4.864 1.00 63.38 ? 9 PRO l N 1 ? ? +43572 ATOM C CA . PRO AE 11 8 ? 28.931 -26.230 4.332 1.00 61.83 ? 9 PRO l CA 1 ? ? +43573 ATOM C CB . PRO AE 11 8 ? 28.140 -27.012 5.382 1.00 62.46 ? 9 PRO l CB 1 ? ? +43574 ATOM C CG . PRO AE 11 8 ? 28.899 -26.810 6.650 1.00 63.61 ? 9 PRO l CG 1 ? ? +43575 ATOM C CD . PRO AE 11 8 ? 30.365 -26.720 6.247 1.00 64.06 ? 9 PRO l CD 1 ? ? +43576 ATOM C C . PRO AE 11 8 ? 28.361 -24.828 4.145 1.00 59.38 ? 9 PRO l C 1 ? ? +43577 ATOM O O . PRO AE 11 8 ? 28.656 -23.931 4.920 1.00 59.91 ? 9 PRO l O 1 ? ? +43578 ATOM N N . VAL AE 11 9 ? 27.559 -24.658 3.098 1.00 57.47 ? 10 VAL l N 1 ? ? +43579 ATOM C CA . VAL AE 11 9 ? 26.835 -23.425 2.826 1.00 56.27 ? 10 VAL l CA 1 ? ? +43580 ATOM C CB . VAL AE 11 9 ? 26.938 -23.065 1.336 1.00 55.83 ? 10 VAL l CB 1 ? ? +43581 ATOM C CG1 . VAL AE 11 9 ? 26.414 -21.661 1.074 1.00 55.53 ? 10 VAL l CG1 1 ? ? +43582 ATOM C CG2 . VAL AE 11 9 ? 28.378 -23.218 0.840 1.00 56.26 ? 10 VAL l CG2 1 ? ? +43583 ATOM C C . VAL AE 11 9 ? 25.367 -23.579 3.222 1.00 55.26 ? 10 VAL l C 1 ? ? +43584 ATOM O O . VAL AE 11 9 ? 24.790 -24.660 3.101 1.00 54.53 ? 10 VAL l O 1 ? ? +43585 ATOM N N . GLU AE 11 10 ? 24.770 -22.481 3.689 1.00 54.88 ? 11 GLU l N 1 ? ? +43586 ATOM C CA . GLU AE 11 10 ? 23.374 -22.486 4.078 1.00 54.49 ? 11 GLU l CA 1 ? ? +43587 ATOM C CB . GLU AE 11 10 ? 23.243 -22.512 5.592 1.00 55.34 ? 11 GLU l CB 1 ? ? +43588 ATOM C CG . GLU AE 11 10 ? 23.654 -21.218 6.256 1.00 55.93 ? 11 GLU l CG 1 ? ? +43589 ATOM C CD . GLU AE 11 10 ? 23.167 -21.123 7.680 1.00 56.71 ? 11 GLU l CD 1 ? ? +43590 ATOM O OE1 . GLU AE 11 10 ? 23.866 -21.659 8.575 1.00 57.18 ? 11 GLU l OE1 1 ? ? +43591 ATOM O OE2 . GLU AE 11 10 ? 22.064 -20.554 7.890 1.00 56.78 ? 11 GLU l OE2 1 ? ? +43592 ATOM C C . GLU AE 11 10 ? 22.636 -21.276 3.526 1.00 53.50 ? 11 GLU l C 1 ? ? +43593 ATOM O O . GLU AE 11 10 ? 23.231 -20.230 3.290 1.00 53.34 ? 11 GLU l O 1 ? ? +43594 ATOM N N . LEU AE 11 11 ? 21.335 -21.469 3.302 1.00 52.74 ? 12 LEU l N 1 ? ? +43595 ATOM C CA . LEU AE 11 11 ? 20.392 -20.391 3.070 1.00 52.05 ? 12 LEU l CA 1 ? ? +43596 ATOM C CB . LEU AE 11 11 ? 20.156 -20.148 1.593 1.00 51.81 ? 12 LEU l CB 1 ? ? +43597 ATOM C CG . LEU AE 11 11 ? 19.346 -18.892 1.305 1.00 52.01 ? 12 LEU l CG 1 ? ? +43598 ATOM C CD1 . LEU AE 11 11 ? 20.248 -17.718 1.041 1.00 52.29 ? 12 LEU l CD1 1 ? ? +43599 ATOM C CD2 . LEU AE 11 11 ? 18.425 -19.078 0.162 1.00 51.74 ? 12 LEU l CD2 1 ? ? +43600 ATOM C C . LEU AE 11 11 ? 19.090 -20.833 3.721 1.00 51.41 ? 12 LEU l C 1 ? ? +43601 ATOM O O . LEU AE 11 11 ? 18.506 -21.813 3.282 1.00 51.07 ? 12 LEU l O 1 ? ? +43602 ATOM N N . ASN AE 11 12 ? 18.671 -20.139 4.782 1.00 51.15 ? 13 ASN l N 1 ? ? +43603 ATOM C CA . ASN AE 11 12 ? 17.442 -20.497 5.467 1.00 51.14 ? 13 ASN l CA 1 ? ? +43604 ATOM C CB . ASN AE 11 12 ? 17.419 -19.956 6.884 1.00 51.57 ? 13 ASN l CB 1 ? ? +43605 ATOM C CG . ASN AE 11 12 ? 17.523 -18.464 7.001 1.00 51.59 ? 13 ASN l CG 1 ? ? +43606 ATOM O OD1 . ASN AE 11 12 ? 17.015 -17.688 6.186 1.00 51.38 ? 13 ASN l OD1 1 ? ? +43607 ATOM N ND2 . ASN AE 11 12 ? 18.187 -18.016 8.040 1.00 52.10 ? 13 ASN l ND2 1 ? ? +43608 ATOM C C . ASN AE 11 12 ? 16.228 -20.036 4.659 1.00 50.60 ? 13 ASN l C 1 ? ? +43609 ATOM O O . ASN AE 11 12 ? 16.368 -19.333 3.658 1.00 50.05 ? 13 ASN l O 1 ? ? +43610 ATOM N N . ARG AE 11 13 ? 15.034 -20.447 5.106 1.00 50.77 ? 14 ARG l N 1 ? ? +43611 ATOM C CA . ARG AE 11 13 ? 13.797 -20.201 4.376 1.00 50.31 ? 14 ARG l CA 1 ? ? +43612 ATOM C CB . ARG AE 11 13 ? 12.635 -20.985 4.986 1.00 50.92 ? 14 ARG l CB 1 ? ? +43613 ATOM C CG . ARG AE 11 13 ? 11.408 -21.026 4.087 1.00 51.04 ? 14 ARG l CG 1 ? ? +43614 ATOM C CD . ARG AE 11 13 ? 10.247 -21.646 4.780 1.00 51.70 ? 14 ARG l CD 1 ? ? +43615 ATOM N NE . ARG AE 11 13 ? 10.467 -23.046 5.117 1.00 52.54 ? 14 ARG l NE 1 ? ? +43616 ATOM C CZ . ARG AE 11 13 ? 9.598 -23.787 5.790 1.00 53.39 ? 14 ARG l CZ 1 ? ? +43617 ATOM N NH1 . ARG AE 11 13 ? 8.358 -23.377 5.995 1.00 53.75 ? 14 ARG l NH1 1 ? ? +43618 ATOM N NH2 . ARG AE 11 13 ? 9.973 -24.973 6.256 1.00 54.01 ? 14 ARG l NH2 1 ? ? +43619 ATOM C C . ARG AE 11 13 ? 13.420 -18.726 4.327 1.00 49.74 ? 14 ARG l C 1 ? ? +43620 ATOM O O . ARG AE 11 13 ? 12.925 -18.249 3.308 1.00 49.45 ? 14 ARG l O 1 ? ? +43621 ATOM N N A THR AE 11 14 ? 13.632 -18.015 5.440 0.40 49.89 ? 15 THR l N 1 ? ? +43622 ATOM N N B THR AE 11 14 ? 13.646 -18.010 5.433 0.60 49.94 ? 15 THR l N 1 ? ? +43623 ATOM C CA A THR AE 11 14 ? 13.356 -16.588 5.488 0.40 49.69 ? 15 THR l CA 1 ? ? +43624 ATOM C CA B THR AE 11 14 ? 13.342 -16.590 5.464 0.60 49.81 ? 15 THR l CA 1 ? ? +43625 ATOM C C A THR AE 11 14 ? 14.216 -15.826 4.483 0.40 49.19 ? 15 THR l C 1 ? ? +43626 ATOM C C B THR AE 11 14 ? 14.186 -15.878 4.414 0.60 49.23 ? 15 THR l C 1 ? ? +43627 ATOM O O A THR AE 11 14 ? 13.758 -14.867 3.868 0.40 48.88 ? 15 THR l O 1 ? ? +43628 ATOM O O B THR AE 11 14 ? 13.683 -15.017 3.698 0.60 48.83 ? 15 THR l O 1 ? ? +43629 ATOM C CB A THR AE 11 14 ? 13.578 -16.054 6.895 0.40 50.22 ? 15 THR l CB 1 ? ? +43630 ATOM C CB B THR AE 11 14 ? 13.568 -15.999 6.842 0.60 50.46 ? 15 THR l CB 1 ? ? +43631 ATOM O OG1 A THR AE 11 14 ? 12.673 -16.683 7.786 0.40 50.59 ? 15 THR l OG1 1 ? ? +43632 ATOM O OG1 B THR AE 11 14 ? 12.678 -16.589 7.768 0.60 51.01 ? 15 THR l OG1 1 ? ? +43633 ATOM C CG2 A THR AE 11 14 ? 13.384 -14.561 6.984 0.40 50.21 ? 15 THR l CG2 1 ? ? +43634 ATOM C CG2 B THR AE 11 14 ? 13.346 -14.513 6.876 0.60 50.48 ? 15 THR l CG2 1 ? ? +43635 ATOM N N . SER AE 11 15 ? 15.467 -16.267 4.332 1.00 49.14 ? 16 SER l N 1 ? ? +43636 ATOM C CA . SER AE 11 15 ? 16.405 -15.667 3.399 1.00 48.65 ? 16 SER l CA 1 ? ? +43637 ATOM C CB . SER AE 11 15 ? 17.809 -16.211 3.655 1.00 48.88 ? 16 SER l CB 1 ? ? +43638 ATOM O OG . SER AE 11 15 ? 18.220 -15.892 4.974 1.00 49.30 ? 16 SER l OG 1 ? ? +43639 ATOM C C . SER AE 11 15 ? 15.990 -15.906 1.954 1.00 47.82 ? 16 SER l C 1 ? ? +43640 ATOM O O . SER AE 11 15 ? 16.096 -15.008 1.127 1.00 47.41 ? 16 SER l O 1 ? ? +43641 ATOM N N . LEU AE 11 16 ? 15.496 -17.116 1.670 1.00 47.66 ? 17 LEU l N 1 ? ? +43642 ATOM C CA . LEU AE 11 16 ? 14.931 -17.427 0.365 1.00 47.21 ? 17 LEU l CA 1 ? ? +43643 ATOM C CB . LEU AE 11 16 ? 14.452 -18.881 0.321 1.00 47.31 ? 17 LEU l CB 1 ? ? +43644 ATOM C CG . LEU AE 11 16 ? 13.714 -19.312 -0.961 1.00 47.06 ? 17 LEU l CG 1 ? ? +43645 ATOM C CD1 . LEU AE 11 16 ? 14.695 -19.467 -2.140 1.00 46.82 ? 17 LEU l CD1 1 ? ? +43646 ATOM C CD2 . LEU AE 11 16 ? 12.895 -20.593 -0.723 1.00 47.17 ? 17 LEU l CD2 1 ? ? +43647 ATOM C C . LEU AE 11 16 ? 13.780 -16.477 0.030 1.00 46.95 ? 17 LEU l C 1 ? ? +43648 ATOM O O . LEU AE 11 16 ? 13.755 -15.894 -1.049 1.00 46.45 ? 17 LEU l O 1 ? ? +43649 ATOM N N . TYR AE 11 17 ? 12.838 -16.326 0.969 1.00 47.26 ? 18 TYR l N 1 ? ? +43650 ATOM C CA . TYR AE 11 17 ? 11.682 -15.460 0.777 1.00 47.25 ? 18 TYR l CA 1 ? ? +43651 ATOM C CB . TYR AE 11 17 ? 10.739 -15.535 1.999 1.00 47.80 ? 18 TYR l CB 1 ? ? +43652 ATOM C CG . TYR AE 11 17 ? 9.949 -16.815 2.142 1.00 48.19 ? 18 TYR l CG 1 ? ? +43653 ATOM C CD1 . TYR AE 11 17 ? 9.578 -17.558 1.031 1.00 48.11 ? 18 TYR l CD1 1 ? ? +43654 ATOM C CD2 . TYR AE 11 17 ? 9.551 -17.276 3.390 1.00 48.79 ? 18 TYR l CD2 1 ? ? +43655 ATOM C CE1 . TYR AE 11 17 ? 8.811 -18.714 1.156 1.00 48.28 ? 18 TYR l CE1 1 ? ? +43656 ATOM C CE2 . TYR AE 11 17 ? 8.810 -18.443 3.527 1.00 48.98 ? 18 TYR l CE2 1 ? ? +43657 ATOM C CZ . TYR AE 11 17 ? 8.445 -19.159 2.407 1.00 48.73 ? 18 TYR l CZ 1 ? ? +43658 ATOM O OH . TYR AE 11 17 ? 7.705 -20.303 2.535 1.00 49.04 ? 18 TYR l OH 1 ? ? +43659 ATOM C C . TYR AE 11 17 ? 12.104 -14.010 0.553 1.00 46.98 ? 18 TYR l C 1 ? ? +43660 ATOM O O . TYR AE 11 17 ? 11.623 -13.355 -0.367 1.00 46.77 ? 18 TYR l O 1 ? ? +43661 ATOM N N A LEU AE 11 18 ? 13.002 -13.512 1.412 0.40 47.16 ? 19 LEU l N 1 ? ? +43662 ATOM N N B LEU AE 11 18 ? 13.007 -13.522 1.409 0.60 47.19 ? 19 LEU l N 1 ? ? +43663 ATOM C CA A LEU AE 11 18 ? 13.547 -12.172 1.270 0.40 46.99 ? 19 LEU l CA 1 ? ? +43664 ATOM C CA B LEU AE 11 18 ? 13.545 -12.179 1.265 0.60 47.02 ? 19 LEU l CA 1 ? ? +43665 ATOM C C A LEU AE 11 18 ? 14.251 -12.008 -0.072 0.40 46.52 ? 19 LEU l C 1 ? ? +43666 ATOM C C B LEU AE 11 18 ? 14.213 -12.025 -0.096 0.60 46.52 ? 19 LEU l C 1 ? ? +43667 ATOM O O A LEU AE 11 18 ? 14.122 -10.978 -0.726 0.40 46.30 ? 19 LEU l O 1 ? ? +43668 ATOM O O B LEU AE 11 18 ? 14.029 -11.020 -0.781 0.60 46.26 ? 19 LEU l O 1 ? ? +43669 ATOM C CB A LEU AE 11 18 ? 14.519 -11.893 2.407 0.40 47.39 ? 19 LEU l CB 1 ? ? +43670 ATOM C CB B LEU AE 11 18 ? 14.537 -11.899 2.381 0.60 47.43 ? 19 LEU l CB 1 ? ? +43671 ATOM C CG A LEU AE 11 18 ? 13.877 -11.640 3.755 0.40 47.78 ? 19 LEU l CG 1 ? ? +43672 ATOM C CG B LEU AE 11 18 ? 13.923 -11.563 3.722 0.60 47.84 ? 19 LEU l CG 1 ? ? +43673 ATOM C CD1 A LEU AE 11 18 ? 14.906 -11.717 4.864 0.40 48.20 ? 19 LEU l CD1 1 ? ? +43674 ATOM C CD1 B LEU AE 11 18 ? 14.982 -11.558 4.811 0.60 48.28 ? 19 LEU l CD1 1 ? ? +43675 ATOM C CD2 A LEU AE 11 18 ? 13.187 -10.292 3.780 0.40 47.73 ? 19 LEU l CD2 1 ? ? +43676 ATOM C CD2 B LEU AE 11 18 ? 13.228 -10.216 3.676 0.60 47.79 ? 19 LEU l CD2 1 ? ? +43677 ATOM N N . GLY AE 11 19 ? 14.979 -13.049 -0.483 1.00 46.37 ? 20 GLY l N 1 ? ? +43678 ATOM C CA . GLY AE 11 19 ? 15.721 -13.011 -1.730 1.00 45.92 ? 20 GLY l CA 1 ? ? +43679 ATOM C C . GLY AE 11 19 ? 14.783 -12.966 -2.928 1.00 45.32 ? 20 GLY l C 1 ? ? +43680 ATOM O O . GLY AE 11 19 ? 14.928 -12.127 -3.808 1.00 45.02 ? 20 GLY l O 1 ? ? +43681 ATOM N N . LEU AE 11 20 ? 13.811 -13.880 -2.946 1.00 45.09 ? 21 LEU l N 1 ? ? +43682 ATOM C CA . LEU AE 11 20 ? 12.867 -13.945 -4.049 1.00 44.57 ? 21 LEU l CA 1 ? ? +43683 ATOM C CB . LEU AE 11 20 ? 11.929 -15.135 -3.880 1.00 44.60 ? 21 LEU l CB 1 ? ? +43684 ATOM C CG . LEU AE 11 20 ? 12.535 -16.484 -4.170 1.00 44.58 ? 21 LEU l CG 1 ? ? +43685 ATOM C CD1 . LEU AE 11 20 ? 11.537 -17.585 -3.909 1.00 44.69 ? 21 LEU l CD1 1 ? ? +43686 ATOM C CD2 . LEU AE 11 20 ? 13.033 -16.563 -5.600 1.00 44.22 ? 21 LEU l CD2 1 ? ? +43687 ATOM C C . LEU AE 11 20 ? 12.085 -12.642 -4.151 1.00 44.31 ? 21 LEU l C 1 ? ? +43688 ATOM O O . LEU AE 11 20 ? 11.844 -12.153 -5.251 1.00 44.04 ? 21 LEU l O 1 ? ? +43689 ATOM N N . LEU AE 11 21 ? 11.734 -12.053 -3.008 1.00 44.46 ? 22 LEU l N 1 ? ? +43690 ATOM C CA . LEU AE 11 21 ? 11.027 -10.784 -3.024 1.00 44.41 ? 22 LEU l CA 1 ? ? +43691 ATOM C CB . LEU AE 11 21 ? 10.681 -10.365 -1.614 1.00 44.93 ? 22 LEU l CB 1 ? ? +43692 ATOM C CG . LEU AE 11 21 ? 9.825 -9.133 -1.523 1.00 45.17 ? 22 LEU l CG 1 ? ? +43693 ATOM C CD1 . LEU AE 11 21 ? 8.432 -9.326 -2.207 1.00 45.02 ? 22 LEU l CD1 1 ? ? +43694 ATOM C CD2 . LEU AE 11 21 ? 9.622 -8.759 -0.072 1.00 45.66 ? 22 LEU l CD2 1 ? ? +43695 ATOM C C . LEU AE 11 21 ? 11.839 -9.680 -3.685 1.00 44.10 ? 22 LEU l C 1 ? ? +43696 ATOM O O . LEU AE 11 21 ? 11.335 -8.953 -4.534 1.00 43.78 ? 22 LEU l O 1 ? ? +43697 ATOM N N . LEU AE 11 22 ? 13.113 -9.572 -3.276 1.00 44.18 ? 23 LEU l N 1 ? ? +43698 ATOM C CA . LEU AE 11 22 ? 14.036 -8.610 -3.851 1.00 43.93 ? 23 LEU l CA 1 ? ? +43699 ATOM C CB . LEU AE 11 22 ? 15.410 -8.770 -3.208 1.00 44.19 ? 23 LEU l CB 1 ? ? +43700 ATOM C CG . LEU AE 11 22 ? 16.493 -7.890 -3.788 1.00 44.18 ? 23 LEU l CG 1 ? ? +43701 ATOM C CD1 . LEU AE 11 22 ? 16.225 -6.454 -3.443 1.00 44.35 ? 23 LEU l CD1 1 ? ? +43702 ATOM C CD2 . LEU AE 11 22 ? 17.848 -8.319 -3.303 1.00 44.42 ? 23 LEU l CD2 1 ? ? +43703 ATOM C C . LEU AE 11 22 ? 14.133 -8.766 -5.363 1.00 43.44 ? 23 LEU l C 1 ? ? +43704 ATOM O O . LEU AE 11 22 ? 13.966 -7.795 -6.096 1.00 43.30 ? 23 LEU l O 1 ? ? +43705 ATOM N N . ILE AE 11 23 ? 14.392 -9.989 -5.832 1.00 43.25 ? 24 ILE l N 1 ? ? +43706 ATOM C CA . ILE AE 11 23 ? 14.552 -10.223 -7.256 1.00 42.94 ? 24 ILE l CA 1 ? ? +43707 ATOM C CB . ILE AE 11 23 ? 14.931 -11.686 -7.524 1.00 42.90 ? 24 ILE l CB 1 ? ? +43708 ATOM C CG1 . ILE AE 11 23 ? 16.282 -12.092 -6.860 1.00 43.19 ? 24 ILE l CG1 1 ? ? +43709 ATOM C CG2 . ILE AE 11 23 ? 14.966 -11.969 -9.003 1.00 42.58 ? 24 ILE l CG2 1 ? ? +43710 ATOM C CD1 . ILE AE 11 23 ? 17.448 -11.099 -7.110 1.00 43.27 ? 24 ILE l CD1 1 ? ? +43711 ATOM C C . ILE AE 11 23 ? 13.279 -9.855 -8.016 1.00 42.82 ? 24 ILE l C 1 ? ? +43712 ATOM O O . ILE AE 11 23 ? 13.318 -9.116 -9.010 1.00 42.59 ? 24 ILE l O 1 ? ? +43713 ATOM N N . LEU AE 11 24 ? 12.140 -10.383 -7.531 1.00 42.96 ? 25 LEU l N 1 ? ? +43714 ATOM C CA . LEU AE 11 24 ? 10.872 -10.151 -8.190 1.00 42.89 ? 25 LEU l CA 1 ? ? +43715 ATOM C CB . LEU AE 11 24 ? 9.749 -10.899 -7.464 1.00 43.09 ? 25 LEU l CB 1 ? ? +43716 ATOM C CG . LEU AE 11 24 ? 9.803 -12.420 -7.568 1.00 43.08 ? 25 LEU l CG 1 ? ? +43717 ATOM C CD1 . LEU AE 11 24 ? 8.768 -13.067 -6.670 1.00 43.33 ? 25 LEU l CD1 1 ? ? +43718 ATOM C CD2 . LEU AE 11 24 ? 9.618 -12.867 -8.988 1.00 42.79 ? 25 LEU l CD2 1 ? ? +43719 ATOM C C . LEU AE 11 24 ? 10.577 -8.660 -8.261 1.00 42.97 ? 25 LEU l C 1 ? ? +43720 ATOM O O . LEU AE 11 24 ? 10.210 -8.167 -9.322 1.00 42.85 ? 25 LEU l O 1 ? ? +43721 ATOM N N . VAL AE 11 25 ? 10.771 -7.940 -7.152 1.00 43.33 ? 26 VAL l N 1 ? ? +43722 ATOM C CA . VAL AE 11 25 ? 10.478 -6.517 -7.137 1.00 43.53 ? 26 VAL l CA 1 ? ? +43723 ATOM C CB . VAL AE 11 25 ? 10.435 -5.968 -5.699 1.00 43.92 ? 26 VAL l CB 1 ? ? +43724 ATOM C CG1 . VAL AE 11 25 ? 10.515 -4.447 -5.686 1.00 44.13 ? 26 VAL l CG1 1 ? ? +43725 ATOM C CG2 . VAL AE 11 25 ? 9.180 -6.416 -4.972 1.00 44.03 ? 26 VAL l CG2 1 ? ? +43726 ATOM C C . VAL AE 11 25 ? 11.426 -5.726 -8.035 1.00 43.56 ? 26 VAL l C 1 ? ? +43727 ATOM O O . VAL AE 11 25 ? 10.978 -4.847 -8.770 1.00 43.46 ? 26 VAL l O 1 ? ? +43728 ATOM N N . LEU AE 11 26 ? 12.732 -6.036 -7.981 1.00 43.78 ? 27 LEU l N 1 ? ? +43729 ATOM C CA . LEU AE 11 26 ? 13.697 -5.397 -8.855 1.00 43.81 ? 27 LEU l CA 1 ? ? +43730 ATOM C CB . LEU AE 11 26 ? 15.105 -5.982 -8.623 1.00 43.98 ? 27 LEU l CB 1 ? ? +43731 ATOM C CG . LEU AE 11 26 ? 15.851 -5.480 -7.411 1.00 44.35 ? 27 LEU l CG 1 ? ? +43732 ATOM C CD1 . LEU AE 11 26 ? 17.231 -6.117 -7.310 1.00 44.42 ? 27 LEU l CD1 1 ? ? +43733 ATOM C CD2 . LEU AE 11 26 ? 15.979 -3.971 -7.444 1.00 44.53 ? 27 LEU l CD2 1 ? ? +43734 ATOM C C . LEU AE 11 26 ? 13.309 -5.584 -10.317 1.00 43.65 ? 27 LEU l C 1 ? ? +43735 ATOM O O . LEU AE 11 26 ? 13.383 -4.653 -11.106 1.00 43.58 ? 27 LEU l O 1 ? ? +43736 ATOM N N . ALA AE 11 27 ? 12.893 -6.801 -10.669 1.00 43.81 ? 28 ALA l N 1 ? ? +43737 ATOM C CA . ALA AE 11 27 ? 12.451 -7.098 -12.023 1.00 43.89 ? 28 ALA l CA 1 ? ? +43738 ATOM C CB . ALA AE 11 27 ? 12.234 -8.599 -12.169 1.00 43.88 ? 28 ALA l CB 1 ? ? +43739 ATOM C C . ALA AE 11 27 ? 11.168 -6.354 -12.402 1.00 44.15 ? 28 ALA l C 1 ? ? +43740 ATOM O O . ALA AE 11 27 ? 10.984 -5.951 -13.551 1.00 44.12 ? 28 ALA l O 1 ? ? +43741 ATOM N N . LEU AE 11 28 ? 10.271 -6.172 -11.432 1.00 44.48 ? 29 LEU l N 1 ? ? +43742 ATOM C CA . LEU AE 11 28 ? 9.054 -5.427 -11.698 1.00 44.79 ? 29 LEU l CA 1 ? ? +43743 ATOM C CB . LEU AE 11 28 ? 8.069 -5.605 -10.538 1.00 44.99 ? 29 LEU l CB 1 ? ? +43744 ATOM C CG . LEU AE 11 28 ? 6.653 -5.131 -10.790 1.00 45.08 ? 29 LEU l CG 1 ? ? +43745 ATOM C CD1 . LEU AE 11 28 ? 6.009 -5.873 -11.945 1.00 44.86 ? 29 LEU l CD1 1 ? ? +43746 ATOM C CD2 . LEU AE 11 28 ? 5.795 -5.315 -9.549 1.00 45.33 ? 29 LEU l CD2 1 ? ? +43747 ATOM C C . LEU AE 11 28 ? 9.423 -3.960 -11.920 1.00 45.08 ? 29 LEU l C 1 ? ? +43748 ATOM O O . LEU AE 11 28 ? 8.800 -3.255 -12.720 1.00 45.35 ? 29 LEU l O 1 ? ? +43749 ATOM N N . LEU AE 11 29 ? 10.455 -3.500 -11.211 1.00 45.15 ? 30 LEU l N 1 ? ? +43750 ATOM C CA . LEU AE 11 29 ? 10.868 -2.114 -11.341 1.00 45.34 ? 30 LEU l CA 1 ? ? +43751 ATOM C CB . LEU AE 11 29 ? 11.725 -1.708 -10.161 1.00 45.73 ? 30 LEU l CB 1 ? ? +43752 ATOM C CG . LEU AE 11 29 ? 12.423 -0.373 -10.273 1.00 45.99 ? 30 LEU l CG 1 ? ? +43753 ATOM C CD1 . LEU AE 11 29 ? 11.413 0.748 -10.305 1.00 46.16 ? 30 LEU l CD1 1 ? ? +43754 ATOM C CD2 . LEU AE 11 29 ? 13.427 -0.197 -9.149 1.00 46.27 ? 30 LEU l CD2 1 ? ? +43755 ATOM C C . LEU AE 11 29 ? 11.606 -1.845 -12.649 1.00 45.27 ? 30 LEU l C 1 ? ? +43756 ATOM O O . LEU AE 11 29 ? 11.403 -0.814 -13.269 1.00 45.48 ? 30 LEU l O 1 ? ? +43757 ATOM N N . PHE AE 11 30 ? 12.490 -2.750 -13.062 1.00 45.27 ? 31 PHE l N 1 ? ? +43758 ATOM C CA . PHE AE 11 30 ? 13.346 -2.498 -14.209 1.00 45.16 ? 31 PHE l CA 1 ? ? +43759 ATOM C CB . PHE AE 11 30 ? 14.725 -3.187 -14.015 1.00 45.36 ? 31 PHE l CB 1 ? ? +43760 ATOM C CG . PHE AE 11 30 ? 15.703 -2.325 -13.275 1.00 45.74 ? 31 PHE l CG 1 ? ? +43761 ATOM C CD1 . PHE AE 11 30 ? 16.388 -1.311 -13.921 1.00 45.96 ? 31 PHE l CD1 1 ? ? +43762 ATOM C CD2 . PHE AE 11 30 ? 15.909 -2.492 -11.924 1.00 46.06 ? 31 PHE l CD2 1 ? ? +43763 ATOM C CE1 . PHE AE 11 30 ? 17.287 -0.504 -13.229 1.00 46.23 ? 31 PHE l CE1 1 ? ? +43764 ATOM C CE2 . PHE AE 11 30 ? 16.819 -1.690 -11.237 1.00 46.39 ? 31 PHE l CE2 1 ? ? +43765 ATOM C CZ . PHE AE 11 30 ? 17.493 -0.698 -11.890 1.00 46.45 ? 31 PHE l CZ 1 ? ? +43766 ATOM C C . PHE AE 11 30 ? 12.742 -2.933 -15.539 1.00 44.70 ? 31 PHE l C 1 ? ? +43767 ATOM O O . PHE AE 11 30 ? 13.194 -2.486 -16.596 1.00 44.43 ? 31 PHE l O 1 ? ? +43768 ATOM N N . SER AE 11 31 ? 11.745 -3.828 -15.479 1.00 44.57 ? 32 SER l N 1 ? ? +43769 ATOM C CA . SER AE 11 31 ? 11.173 -4.415 -16.680 1.00 44.34 ? 32 SER l CA 1 ? ? +43770 ATOM C CB . SER AE 11 31 ? 10.019 -5.350 -16.347 1.00 44.46 ? 32 SER l CB 1 ? ? +43771 ATOM O OG . SER AE 11 31 ? 8.996 -4.689 -15.620 1.00 44.75 ? 32 SER l OG 1 ? ? +43772 ATOM C C . SER AE 11 31 ? 10.705 -3.361 -17.678 1.00 44.24 ? 32 SER l C 1 ? ? +43773 ATOM O O . SER AE 11 31 ? 10.956 -3.489 -18.876 1.00 44.27 ? 32 SER l O 1 ? ? +43774 ATOM N N . SER AE 11 32 ? 10.063 -2.303 -17.180 1.00 44.21 ? 33 SER l N 1 ? ? +43775 ATOM C CA . SER AE 11 32 ? 9.569 -1.256 -18.051 1.00 44.29 ? 33 SER l CA 1 ? ? +43776 ATOM C CB . SER AE 11 32 ? 8.760 -0.236 -17.254 1.00 44.54 ? 33 SER l CB 1 ? ? +43777 ATOM O OG . SER AE 11 32 ? 7.647 -0.841 -16.602 1.00 44.55 ? 33 SER l OG 1 ? ? +43778 ATOM C C . SER AE 11 32 ? 10.702 -0.585 -18.821 1.00 44.40 ? 33 SER l C 1 ? ? +43779 ATOM O O . SER AE 11 32 ? 10.557 -0.225 -19.978 1.00 44.52 ? 33 SER l O 1 ? ? +43780 ATOM N N . TYR AE 11 33 ? 11.850 -0.417 -18.173 1.00 44.69 ? 34 TYR l N 1 ? ? +43781 ATOM C CA . TYR AE 11 33 ? 12.989 0.226 -18.809 1.00 44.81 ? 34 TYR l CA 1 ? ? +43782 ATOM C CB . TYR AE 11 33 ? 13.969 0.728 -17.743 1.00 45.02 ? 34 TYR l CB 1 ? ? +43783 ATOM C CG . TYR AE 11 33 ? 13.293 1.692 -16.786 1.00 45.10 ? 34 TYR l CG 1 ? ? +43784 ATOM C CD1 . TYR AE 11 33 ? 13.154 3.036 -17.104 1.00 45.20 ? 34 TYR l CD1 1 ? ? +43785 ATOM C CD2 . TYR AE 11 33 ? 12.709 1.239 -15.609 1.00 45.07 ? 34 TYR l CD2 1 ? ? +43786 ATOM C CE1 . TYR AE 11 33 ? 12.513 3.918 -16.244 1.00 45.39 ? 34 TYR l CE1 1 ? ? +43787 ATOM C CE2 . TYR AE 11 33 ? 12.071 2.116 -14.734 1.00 45.21 ? 34 TYR l CE2 1 ? ? +43788 ATOM C CZ . TYR AE 11 33 ? 11.985 3.456 -15.056 1.00 45.40 ? 34 TYR l CZ 1 ? ? +43789 ATOM O OH . TYR AE 11 33 ? 11.365 4.341 -14.217 1.00 45.82 ? 34 TYR l OH 1 ? ? +43790 ATOM C C . TYR AE 11 33 ? 13.644 -0.696 -19.835 1.00 44.66 ? 34 TYR l C 1 ? ? +43791 ATOM O O . TYR AE 11 33 ? 14.094 -0.215 -20.864 1.00 44.81 ? 34 TYR l O 1 ? ? +43792 ATOM N N . PHE AE 11 34 ? 13.632 -2.015 -19.593 1.00 44.64 ? 35 PHE l N 1 ? ? +43793 ATOM C CA . PHE AE 11 34 ? 14.136 -2.982 -20.560 1.00 44.54 ? 35 PHE l CA 1 ? ? +43794 ATOM C CB . PHE AE 11 34 ? 14.190 -4.371 -19.935 1.00 44.76 ? 35 PHE l CB 1 ? ? +43795 ATOM C CG . PHE AE 11 34 ? 15.139 -4.528 -18.772 1.00 45.41 ? 35 PHE l CG 1 ? ? +43796 ATOM C CD1 . PHE AE 11 34 ? 16.126 -3.582 -18.519 1.00 45.82 ? 35 PHE l CD1 1 ? ? +43797 ATOM C CD2 . PHE AE 11 34 ? 15.038 -5.610 -17.920 1.00 45.62 ? 35 PHE l CD2 1 ? ? +43798 ATOM C CE1 . PHE AE 11 34 ? 16.984 -3.723 -17.444 1.00 46.08 ? 35 PHE l CE1 1 ? ? +43799 ATOM C CE2 . PHE AE 11 34 ? 15.911 -5.749 -16.850 1.00 45.90 ? 35 PHE l CE2 1 ? ? +43800 ATOM C CZ . PHE AE 11 34 ? 16.881 -4.806 -16.624 1.00 46.09 ? 35 PHE l CZ 1 ? ? +43801 ATOM C C . PHE AE 11 34 ? 13.316 -3.048 -21.844 1.00 44.31 ? 35 PHE l C 1 ? ? +43802 ATOM O O . PHE AE 11 34 ? 13.883 -3.154 -22.928 1.00 44.22 ? 35 PHE l O 1 ? ? +43803 ATOM N N . PHE AE 11 35 ? 11.976 -3.013 -21.718 1.00 44.16 ? 36 PHE l N 1 ? ? +43804 ATOM C CA . PHE AE 11 35 ? 11.105 -2.926 -22.881 1.00 43.91 ? 36 PHE l CA 1 ? ? +43805 ATOM C CB . PHE AE 11 35 ? 9.651 -3.259 -22.509 1.00 44.14 ? 36 PHE l CB 1 ? ? +43806 ATOM C CG . PHE AE 11 35 ? 9.382 -4.718 -22.226 1.00 44.25 ? 36 PHE l CG 1 ? ? +43807 ATOM C CD1 . PHE AE 11 35 ? 9.521 -5.672 -23.219 1.00 44.26 ? 36 PHE l CD1 1 ? ? +43808 ATOM C CD2 . PHE AE 11 35 ? 8.969 -5.133 -20.974 1.00 44.45 ? 36 PHE l CD2 1 ? ? +43809 ATOM C CE1 . PHE AE 11 35 ? 9.278 -7.012 -22.953 1.00 44.23 ? 36 PHE l CE1 1 ? ? +43810 ATOM C CE2 . PHE AE 11 35 ? 8.721 -6.475 -20.718 1.00 44.44 ? 36 PHE l CE2 1 ? ? +43811 ATOM C CZ . PHE AE 11 35 ? 8.879 -7.403 -21.709 1.00 44.35 ? 36 PHE l CZ 1 ? ? +43812 ATOM C C . PHE AE 11 35 ? 11.165 -1.543 -23.526 1.00 43.75 ? 36 PHE l C 1 ? ? +43813 ATOM O O . PHE AE 11 35 ? 10.967 -1.391 -24.729 1.00 43.62 ? 36 PHE l O 1 ? ? +43814 ATOM N N . ASN AE 11 36 ? 11.401 -0.521 -22.708 1.00 43.77 ? 37 ASN l N 1 ? ? +43815 ATOM C CA . ASN AE 11 36 ? 11.492 0.848 -23.185 1.00 43.96 ? 37 ASN l CA 1 ? ? +43816 ATOM C CB . ASN AE 11 36 ? 12.833 1.046 -23.871 1.00 44.12 ? 37 ASN l CB 1 ? ? +43817 ATOM C CG . ASN AE 11 36 ? 13.252 2.452 -23.881 1.00 44.51 ? 37 ASN l CG 1 ? ? +43818 ATOM O OD1 . ASN AE 11 36 ? 12.522 3.329 -23.450 1.00 44.81 ? 37 ASN l OD1 1 ? ? +43819 ATOM N ND2 . ASN AE 11 36 ? 14.443 2.713 -24.344 1.00 44.79 ? 37 ASN l ND2 1 ? ? +43820 ATOM C C . ASN AE 11 36 ? 10.288 1.226 -24.086 1.00 43.81 ? 37 ASN l C 1 ? ? +43821 ATOM O O . ASN AE 11 36 ? 10.418 1.772 -25.175 1.00 43.60 ? 37 ASN l O 1 ? ? +43822 ATOM O OXT . ASN AE 11 36 ? 9.156 0.979 -23.668 1.00 44.17 ? 37 ASN l OXT 1 ? ? +43823 HETATM N N . FME AF 24 1 ? 2.673 -1.737 -29.251 1.00 63.29 ? 1 FME m N 1 ? ? +43824 HETATM C CN . FME AF 24 1 ? 1.917 -1.580 -30.325 1.00 66.68 ? 1 FME m CN 1 ? ? +43825 HETATM O O1 . FME AF 24 1 ? 1.990 -0.635 -31.114 1.00 69.53 ? 1 FME m O1 1 ? ? +43826 HETATM C CA . FME AF 24 1 ? 3.696 -0.770 -28.901 1.00 61.80 ? 1 FME m CA 1 ? ? +43827 HETATM C CB . FME AF 24 1 ? 3.713 -0.495 -27.396 1.00 62.14 ? 1 FME m CB 1 ? ? +43828 HETATM C CG . FME AF 24 1 ? 2.346 -0.184 -26.832 1.00 62.57 ? 1 FME m CG 1 ? ? +43829 HETATM S SD . FME AF 24 1 ? 1.779 1.466 -27.254 1.00 62.81 ? 1 FME m SD 1 ? ? +43830 HETATM C CE . FME AF 24 1 ? 2.775 2.475 -26.163 1.00 61.97 ? 1 FME m CE 1 ? ? +43831 HETATM C C . FME AF 24 1 ? 5.070 -1.276 -29.365 1.00 59.05 ? 1 FME m C 1 ? ? +43832 HETATM O O . FME AF 24 1 ? 5.262 -2.495 -29.303 1.00 56.64 ? 1 FME m O 1 ? ? +43833 ATOM N N . GLU AF 24 2 ? 5.806 -0.435 -30.037 1.00 58.88 ? 2 GLU m N 1 ? ? +43834 ATOM C CA . GLU AF 24 2 ? 7.111 -0.956 -30.460 1.00 59.57 ? 2 GLU m CA 1 ? ? +43835 ATOM C CB . GLU AF 24 2 ? 7.655 -0.139 -31.626 1.00 63.14 ? 2 GLU m CB 1 ? ? +43836 ATOM C CG . GLU AF 24 2 ? 6.817 -0.292 -32.886 1.00 66.27 ? 2 GLU m CG 1 ? ? +43837 ATOM C CD . GLU AF 24 2 ? 7.383 0.443 -34.084 1.00 70.54 ? 2 GLU m CD 1 ? ? +43838 ATOM O OE1 . GLU AF 24 2 ? 8.619 0.376 -34.318 1.00 70.89 ? 2 GLU m OE1 1 ? ? +43839 ATOM O OE2 . GLU AF 24 2 ? 6.573 1.080 -34.800 1.00 73.39 ? 2 GLU m OE2 1 ? ? +43840 ATOM C C . GLU AF 24 2 ? 8.118 -0.934 -29.320 1.00 56.34 ? 2 GLU m C 1 ? ? +43841 ATOM O O . GLU AF 24 2 ? 8.917 -0.013 -29.215 1.00 55.77 ? 2 GLU m O 1 ? ? +43842 ATOM N N . VAL AF 24 3 ? 8.058 -1.961 -28.472 1.00 54.71 ? 3 VAL m N 1 ? ? +43843 ATOM C CA . VAL AF 24 3 ? 9.030 -2.132 -27.411 1.00 54.44 ? 3 VAL m CA 1 ? ? +43844 ATOM C CB . VAL AF 24 3 ? 8.499 -3.007 -26.290 1.00 54.66 ? 3 VAL m CB 1 ? ? +43845 ATOM C CG1 . VAL AF 24 3 ? 7.260 -2.386 -25.653 1.00 55.16 ? 3 VAL m CG1 1 ? ? +43846 ATOM C CG2 . VAL AF 24 3 ? 8.251 -4.428 -26.797 1.00 54.84 ? 3 VAL m CG2 1 ? ? +43847 ATOM C C . VAL AF 24 3 ? 10.309 -2.758 -27.950 1.00 53.81 ? 3 VAL m C 1 ? ? +43848 ATOM O O . VAL AF 24 3 ? 10.362 -3.210 -29.086 1.00 53.59 ? 3 VAL m O 1 ? ? +43849 ATOM N N . ASN AF 24 4 ? 11.328 -2.813 -27.096 1.00 53.80 ? 4 ASN m N 1 ? ? +43850 ATOM C CA . ASN AF 24 4 ? 12.532 -3.560 -27.396 1.00 53.63 ? 4 ASN m CA 1 ? ? +43851 ATOM C CB . ASN AF 24 4 ? 13.667 -3.019 -26.563 1.00 53.83 ? 4 ASN m CB 1 ? ? +43852 ATOM C CG . ASN AF 24 4 ? 14.931 -3.766 -26.776 1.00 54.59 ? 4 ASN m CG 1 ? ? +43853 ATOM O OD1 . ASN AF 24 4 ? 15.062 -4.605 -27.660 1.00 53.98 ? 4 ASN m OD1 1 ? ? +43854 ATOM N ND2 . ASN AF 24 4 ? 15.900 -3.483 -25.948 1.00 56.37 ? 4 ASN m ND2 1 ? ? +43855 ATOM C C . ASN AF 24 4 ? 12.264 -5.046 -27.149 1.00 53.55 ? 4 ASN m C 1 ? ? +43856 ATOM O O . ASN AF 24 4 ? 11.845 -5.428 -26.063 1.00 52.54 ? 4 ASN m O 1 ? ? +43857 ATOM N N A GLN AF 24 5 ? 12.516 -5.890 -28.155 0.50 54.15 ? 5 GLN m N 1 ? ? +43858 ATOM N N B GLN AF 24 5 ? 12.508 -5.852 -28.189 0.50 54.28 ? 5 GLN m N 1 ? ? +43859 ATOM C CA A GLN AF 24 5 ? 12.203 -7.313 -28.091 0.50 54.55 ? 5 GLN m CA 1 ? ? +43860 ATOM C CA B GLN AF 24 5 ? 12.262 -7.286 -28.179 0.50 54.80 ? 5 GLN m CA 1 ? ? +43861 ATOM C C A GLN AF 24 5 ? 13.150 -8.125 -27.203 0.50 54.14 ? 5 GLN m C 1 ? ? +43862 ATOM C C B GLN AF 24 5 ? 13.115 -8.042 -27.161 0.50 54.31 ? 5 GLN m C 1 ? ? +43863 ATOM O O A GLN AF 24 5 ? 12.787 -9.184 -26.691 0.50 54.58 ? 5 GLN m O 1 ? ? +43864 ATOM O O B GLN AF 24 5 ? 12.636 -8.963 -26.500 0.50 54.85 ? 5 GLN m O 1 ? ? +43865 ATOM C CB A GLN AF 24 5 ? 12.288 -7.920 -29.509 0.50 55.27 ? 5 GLN m CB 1 ? ? +43866 ATOM C CB B GLN AF 24 5 ? 12.529 -7.852 -29.602 0.50 55.66 ? 5 GLN m CB 1 ? ? +43867 ATOM C CG A GLN AF 24 5 ? 11.291 -7.376 -30.546 0.50 55.24 ? 5 GLN m CG 1 ? ? +43868 ATOM C CG B GLN AF 24 5 ? 13.672 -7.147 -30.404 0.50 55.56 ? 5 GLN m CG 1 ? ? +43869 ATOM C CD A GLN AF 24 5 ? 9.944 -7.981 -30.362 0.50 54.93 ? 5 GLN m CD 1 ? ? +43870 ATOM C CD B GLN AF 24 5 ? 13.199 -5.873 -31.080 0.50 55.92 ? 5 GLN m CD 1 ? ? +43871 ATOM O OE1 A GLN AF 24 5 ? 9.304 -7.745 -29.365 0.50 55.45 ? 5 GLN m OE1 1 ? ? +43872 ATOM O OE1 B GLN AF 24 5 ? 12.084 -5.797 -31.646 0.50 56.31 ? 5 GLN m OE1 1 ? ? +43873 ATOM N NE2 A GLN AF 24 5 ? 9.492 -8.779 -31.314 0.50 54.63 ? 5 GLN m NE2 1 ? ? +43874 ATOM N NE2 B GLN AF 24 5 ? 14.017 -4.835 -31.024 0.50 55.86 ? 5 GLN m NE2 1 ? ? +43875 ATOM N N . LEU AF 24 6 ? 14.384 -7.635 -27.035 1.00 53.28 ? 6 LEU m N 1 ? ? +43876 ATOM C CA . LEU AF 24 6 ? 15.295 -8.236 -26.075 1.00 52.45 ? 6 LEU m CA 1 ? ? +43877 ATOM C CB . LEU AF 24 6 ? 16.723 -7.713 -26.282 1.00 53.12 ? 6 LEU m CB 1 ? ? +43878 ATOM C CG . LEU AF 24 6 ? 17.416 -8.156 -27.554 1.00 53.39 ? 6 LEU m CG 1 ? ? +43879 ATOM C CD1 . LEU AF 24 6 ? 18.826 -7.679 -27.561 1.00 54.86 ? 6 LEU m CD1 1 ? ? +43880 ATOM C CD2 . LEU AF 24 6 ? 17.413 -9.666 -27.712 1.00 53.25 ? 6 LEU m CD2 1 ? ? +43881 ATOM C C . LEU AF 24 6 ? 14.873 -7.992 -24.626 1.00 50.99 ? 6 LEU m C 1 ? ? +43882 ATOM O O . LEU AF 24 6 ? 15.389 -8.634 -23.711 1.00 50.78 ? 6 LEU m O 1 ? ? +43883 ATOM N N . GLY AF 24 7 ? 13.945 -7.054 -24.415 1.00 49.81 ? 7 GLY m N 1 ? ? +43884 ATOM C CA . GLY AF 24 7 ? 13.361 -6.817 -23.108 1.00 49.02 ? 7 GLY m CA 1 ? ? +43885 ATOM C C . GLY AF 24 7 ? 12.755 -8.061 -22.469 1.00 48.26 ? 7 GLY m C 1 ? ? +43886 ATOM O O . GLY AF 24 7 ? 12.822 -8.233 -21.254 1.00 48.44 ? 7 GLY m O 1 ? ? +43887 ATOM N N . LEU AF 24 8 ? 12.188 -8.941 -23.293 1.00 47.49 ? 8 LEU m N 1 ? ? +43888 ATOM C CA . LEU AF 24 8 ? 11.570 -10.148 -22.775 1.00 47.20 ? 8 LEU m CA 1 ? ? +43889 ATOM C CB . LEU AF 24 8 ? 10.766 -10.832 -23.866 1.00 47.61 ? 8 LEU m CB 1 ? ? +43890 ATOM C CG . LEU AF 24 8 ? 10.075 -12.112 -23.456 1.00 48.09 ? 8 LEU m CG 1 ? ? +43891 ATOM C CD1 . LEU AF 24 8 ? 9.095 -11.867 -22.325 1.00 48.44 ? 8 LEU m CD1 1 ? ? +43892 ATOM C CD2 . LEU AF 24 8 ? 9.358 -12.728 -24.636 1.00 48.08 ? 8 LEU m CD2 1 ? ? +43893 ATOM C C . LEU AF 24 8 ? 12.607 -11.110 -22.207 1.00 46.33 ? 8 LEU m C 1 ? ? +43894 ATOM O O . LEU AF 24 8 ? 12.485 -11.562 -21.071 1.00 46.04 ? 8 LEU m O 1 ? ? +43895 ATOM N N . ILE AF 24 9 ? 13.637 -11.429 -22.996 1.00 45.78 ? 9 ILE m N 1 ? ? +43896 ATOM C CA . ILE AF 24 9 ? 14.649 -12.354 -22.515 1.00 45.20 ? 9 ILE m CA 1 ? ? +43897 ATOM C CB . ILE AF 24 9 ? 15.554 -12.901 -23.630 1.00 45.27 ? 9 ILE m CB 1 ? ? +43898 ATOM C CG1 . ILE AF 24 9 ? 16.458 -14.003 -23.046 1.00 45.64 ? 9 ILE m CG1 1 ? ? +43899 ATOM C CG2 . ILE AF 24 9 ? 16.367 -11.833 -24.300 1.00 45.27 ? 9 ILE m CG2 1 ? ? +43900 ATOM C CD1 . ILE AF 24 9 ? 16.928 -14.941 -23.995 1.00 45.75 ? 9 ILE m CD1 1 ? ? +43901 ATOM C C . ILE AF 24 9 ? 15.439 -11.728 -21.368 1.00 44.81 ? 9 ILE m C 1 ? ? +43902 ATOM O O . ILE AF 24 9 ? 15.770 -12.422 -20.405 1.00 45.00 ? 9 ILE m O 1 ? ? +43903 ATOM N N . ALA AF 24 10 ? 15.723 -10.423 -21.458 1.00 44.36 ? 10 ALA m N 1 ? ? +43904 ATOM C CA . ALA AF 24 10 ? 16.408 -9.716 -20.386 1.00 44.28 ? 10 ALA m CA 1 ? ? +43905 ATOM C CB . ALA AF 24 10 ? 16.584 -8.255 -20.748 1.00 44.33 ? 10 ALA m CB 1 ? ? +43906 ATOM C C . ALA AF 24 10 ? 15.678 -9.838 -19.051 1.00 44.18 ? 10 ALA m C 1 ? ? +43907 ATOM O O . ALA AF 24 10 ? 16.291 -10.185 -18.040 1.00 44.01 ? 10 ALA m O 1 ? ? +43908 ATOM N N . THR AF 24 11 ? 14.365 -9.538 -19.061 1.00 43.97 ? 11 THR m N 1 ? ? +43909 ATOM C CA . THR AF 24 11 ? 13.542 -9.654 -17.868 1.00 43.93 ? 11 THR m CA 1 ? ? +43910 ATOM C CB . THR AF 24 11 ? 12.111 -9.138 -18.134 1.00 43.93 ? 11 THR m CB 1 ? ? +43911 ATOM O OG1 . THR AF 24 11 ? 12.166 -7.778 -18.531 1.00 43.93 ? 11 THR m OG1 1 ? ? +43912 ATOM C CG2 . THR AF 24 11 ? 11.201 -9.272 -16.910 1.00 44.02 ? 11 THR m CG2 1 ? ? +43913 ATOM C C . THR AF 24 11 ? 13.521 -11.094 -17.369 1.00 43.96 ? 11 THR m C 1 ? ? +43914 ATOM O O . THR AF 24 11 ? 13.688 -11.336 -16.181 1.00 44.17 ? 11 THR m O 1 ? ? +43915 ATOM N N . ALA AF 24 12 ? 13.347 -12.049 -18.286 1.00 44.07 ? 12 ALA m N 1 ? ? +43916 ATOM C CA . ALA AF 24 12 ? 13.228 -13.453 -17.925 1.00 44.33 ? 12 ALA m CA 1 ? ? +43917 ATOM C CB . ALA AF 24 12 ? 12.950 -14.276 -19.167 1.00 44.22 ? 12 ALA m CB 1 ? ? +43918 ATOM C C . ALA AF 24 12 ? 14.464 -14.000 -17.213 1.00 44.65 ? 12 ALA m C 1 ? ? +43919 ATOM O O . ALA AF 24 12 ? 14.354 -14.641 -16.173 1.00 44.78 ? 12 ALA m O 1 ? ? +43920 ATOM N N . LEU AF 24 13 ? 15.643 -13.744 -17.782 1.00 45.14 ? 13 LEU m N 1 ? ? +43921 ATOM C CA . LEU AF 24 13 ? 16.895 -14.196 -17.176 1.00 45.67 ? 13 LEU m CA 1 ? ? +43922 ATOM C CB . LEU AF 24 13 ? 18.040 -14.025 -18.163 1.00 45.57 ? 13 LEU m CB 1 ? ? +43923 ATOM C CG . LEU AF 24 13 ? 17.930 -14.902 -19.410 1.00 45.63 ? 13 LEU m CG 1 ? ? +43924 ATOM C CD1 . LEU AF 24 13 ? 19.133 -14.766 -20.297 1.00 45.87 ? 13 LEU m CD1 1 ? ? +43925 ATOM C CD2 . LEU AF 24 13 ? 17.771 -16.355 -19.059 1.00 45.79 ? 13 LEU m CD2 1 ? ? +43926 ATOM C C . LEU AF 24 13 ? 17.181 -13.472 -15.865 1.00 46.32 ? 13 LEU m C 1 ? ? +43927 ATOM O O . LEU AF 24 13 ? 17.594 -14.103 -14.896 1.00 46.33 ? 13 LEU m O 1 ? ? +43928 ATOM N N . PHE AF 24 14 ? 16.900 -12.165 -15.837 1.00 47.41 ? 14 PHE m N 1 ? ? +43929 ATOM C CA . PHE AF 24 14 ? 17.016 -11.378 -14.620 1.00 48.80 ? 14 PHE m CA 1 ? ? +43930 ATOM C CB . PHE AF 24 14 ? 16.594 -9.922 -14.907 1.00 50.45 ? 14 PHE m CB 1 ? ? +43931 ATOM C CG . PHE AF 24 14 ? 16.798 -8.921 -13.781 1.00 52.24 ? 14 PHE m CG 1 ? ? +43932 ATOM C CD1 . PHE AF 24 14 ? 15.824 -8.735 -12.804 1.00 52.90 ? 14 PHE m CD1 1 ? ? +43933 ATOM C CD2 . PHE AF 24 14 ? 17.956 -8.169 -13.707 1.00 53.32 ? 14 PHE m CD2 1 ? ? +43934 ATOM C CE1 . PHE AF 24 14 ? 16.015 -7.826 -11.770 1.00 53.49 ? 14 PHE m CE1 1 ? ? +43935 ATOM C CE2 . PHE AF 24 14 ? 18.140 -7.248 -12.676 1.00 54.19 ? 14 PHE m CE2 1 ? ? +43936 ATOM C CZ . PHE AF 24 14 ? 17.169 -7.086 -11.713 1.00 54.50 ? 14 PHE m CZ 1 ? ? +43937 ATOM C C . PHE AF 24 14 ? 16.196 -11.977 -13.477 1.00 48.63 ? 14 PHE m C 1 ? ? +43938 ATOM O O . PHE AF 24 14 ? 16.674 -12.029 -12.349 1.00 49.31 ? 14 PHE m O 1 ? ? +43939 ATOM N N . VAL AF 24 15 ? 14.965 -12.433 -13.748 1.00 47.81 ? 15 VAL m N 1 ? ? +43940 ATOM C CA . VAL AF 24 15 ? 14.231 -13.161 -12.729 1.00 47.49 ? 15 VAL m CA 1 ? ? +43941 ATOM C CB . VAL AF 24 15 ? 12.712 -13.321 -13.058 1.00 47.02 ? 15 VAL m CB 1 ? ? +43942 ATOM C CG1 . VAL AF 24 15 ? 12.058 -14.285 -12.087 1.00 47.04 ? 15 VAL m CG1 1 ? ? +43943 ATOM C CG2 . VAL AF 24 15 ? 12.000 -11.991 -13.051 1.00 46.95 ? 15 VAL m CG2 1 ? ? +43944 ATOM C C . VAL AF 24 15 ? 14.835 -14.542 -12.463 1.00 47.27 ? 15 VAL m C 1 ? ? +43945 ATOM O O . VAL AF 24 15 ? 15.157 -14.867 -11.322 1.00 47.99 ? 15 VAL m O 1 ? ? +43946 ATOM N N A LEU AF 24 16 ? 14.966 -15.349 -13.522 0.50 46.87 ? 16 LEU m N 1 ? ? +43947 ATOM N N B LEU AF 24 16 ? 14.971 -15.354 -13.518 0.50 46.98 ? 16 LEU m N 1 ? ? +43948 ATOM C CA A LEU AF 24 16 ? 15.237 -16.772 -13.373 0.50 46.82 ? 16 LEU m CA 1 ? ? +43949 ATOM C CA B LEU AF 24 16 ? 15.254 -16.772 -13.358 0.50 47.01 ? 16 LEU m CA 1 ? ? +43950 ATOM C C A LEU AF 24 16 ? 16.611 -17.112 -12.782 0.50 47.02 ? 16 LEU m C 1 ? ? +43951 ATOM C C B LEU AF 24 16 ? 16.617 -17.092 -12.747 0.50 47.13 ? 16 LEU m C 1 ? ? +43952 ATOM O O A LEU AF 24 16 ? 16.701 -17.947 -11.884 0.50 47.09 ? 16 LEU m O 1 ? ? +43953 ATOM O O B LEU AF 24 16 ? 16.705 -17.909 -11.830 0.50 47.19 ? 16 LEU m O 1 ? ? +43954 ATOM C CB A LEU AF 24 16 ? 15.022 -17.450 -14.741 0.50 46.57 ? 16 LEU m CB 1 ? ? +43955 ATOM C CB B LEU AF 24 16 ? 15.175 -17.465 -14.709 0.50 46.91 ? 16 LEU m CB 1 ? ? +43956 ATOM C CG A LEU AF 24 16 ? 13.605 -18.127 -14.975 0.50 46.50 ? 16 LEU m CG 1 ? ? +43957 ATOM C CG B LEU AF 24 16 ? 15.221 -18.981 -14.621 0.50 47.11 ? 16 LEU m CG 1 ? ? +43958 ATOM C CD1 A LEU AF 24 16 ? 12.520 -17.497 -14.169 0.50 46.52 ? 16 LEU m CD1 1 ? ? +43959 ATOM C CD1 B LEU AF 24 16 ? 13.940 -19.510 -13.933 0.50 47.38 ? 16 LEU m CD1 1 ? ? +43960 ATOM C CD2 A LEU AF 24 16 ? 13.181 -18.076 -16.435 0.50 46.23 ? 16 LEU m CD2 1 ? ? +43961 ATOM C CD2 B LEU AF 24 16 ? 15.400 -19.602 -15.994 0.50 46.93 ? 16 LEU m CD2 1 ? ? +43962 ATOM N N . VAL AF 24 17 ? 17.678 -16.463 -13.268 1.00 46.93 ? 17 VAL m N 1 ? ? +43963 ATOM C CA . VAL AF 24 17 ? 19.024 -16.829 -12.852 1.00 47.34 ? 17 VAL m CA 1 ? ? +43964 ATOM C CB . VAL AF 24 17 ? 20.137 -16.115 -13.659 1.00 47.90 ? 17 VAL m CB 1 ? ? +43965 ATOM C CG1 . VAL AF 24 17 ? 21.514 -16.235 -12.988 1.00 48.58 ? 17 VAL m CG1 1 ? ? +43966 ATOM C CG2 . VAL AF 24 17 ? 20.193 -16.656 -15.071 1.00 47.87 ? 17 VAL m CG2 1 ? ? +43967 ATOM C C . VAL AF 24 17 ? 19.208 -16.655 -11.348 1.00 47.33 ? 17 VAL m C 1 ? ? +43968 ATOM O O . VAL AF 24 17 ? 19.563 -17.613 -10.670 1.00 47.48 ? 17 VAL m O 1 ? ? +43969 ATOM N N . PRO AF 24 18 ? 18.979 -15.456 -10.762 1.00 47.29 ? 18 PRO m N 1 ? ? +43970 ATOM C CA . PRO AF 24 18 ? 19.141 -15.288 -9.317 1.00 47.34 ? 18 PRO m CA 1 ? ? +43971 ATOM C CB . PRO AF 24 18 ? 18.950 -13.777 -9.106 1.00 47.49 ? 18 PRO m CB 1 ? ? +43972 ATOM C CG . PRO AF 24 18 ? 19.002 -13.163 -10.462 1.00 47.35 ? 18 PRO m CG 1 ? ? +43973 ATOM C CD . PRO AF 24 18 ? 18.600 -14.205 -11.437 1.00 47.09 ? 18 PRO m CD 1 ? ? +43974 ATOM C C . PRO AF 24 18 ? 18.144 -16.105 -8.495 1.00 47.11 ? 18 PRO m C 1 ? ? +43975 ATOM O O . PRO AF 24 18 ? 18.509 -16.615 -7.437 1.00 47.10 ? 18 PRO m O 1 ? ? +43976 ATOM N N . SER AF 24 19 ? 16.888 -16.224 -8.967 1.00 46.58 ? 19 SER m N 1 ? ? +43977 ATOM C CA . SER AF 24 19 ? 15.906 -16.984 -8.211 1.00 46.59 ? 19 SER m CA 1 ? ? +43978 ATOM C CB . SER AF 24 19 ? 14.537 -16.975 -8.883 1.00 46.46 ? 19 SER m CB 1 ? ? +43979 ATOM O OG . SER AF 24 19 ? 14.024 -15.665 -8.980 1.00 46.45 ? 19 SER m OG 1 ? ? +43980 ATOM C C . SER AF 24 19 ? 16.357 -18.432 -8.048 1.00 46.57 ? 19 SER m C 1 ? ? +43981 ATOM O O . SER AF 24 19 ? 16.296 -19.004 -6.969 1.00 46.52 ? 19 SER m O 1 ? ? +43982 ATOM N N . VAL AF 24 20 ? 16.793 -19.020 -9.154 1.00 46.74 ? 20 VAL m N 1 ? ? +43983 ATOM C CA . VAL AF 24 20 ? 17.254 -20.395 -9.166 1.00 47.46 ? 20 VAL m CA 1 ? ? +43984 ATOM C CB . VAL AF 24 20 ? 17.507 -20.799 -10.631 1.00 47.86 ? 20 VAL m CB 1 ? ? +43985 ATOM C CG1 . VAL AF 24 20 ? 18.437 -21.987 -10.722 1.00 48.56 ? 20 VAL m CG1 1 ? ? +43986 ATOM C CG2 . VAL AF 24 20 ? 16.204 -21.098 -11.335 1.00 47.81 ? 20 VAL m CG2 1 ? ? +43987 ATOM C C . VAL AF 24 20 ? 18.488 -20.618 -8.286 1.00 47.75 ? 20 VAL m C 1 ? ? +43988 ATOM O O . VAL AF 24 20 ? 18.603 -21.644 -7.616 1.00 48.16 ? 20 VAL m O 1 ? ? +43989 ATOM N N . PHE AF 24 21 ? 19.409 -19.654 -8.291 1.00 47.54 ? 21 PHE m N 1 ? ? +43990 ATOM C CA . PHE AF 24 21 ? 20.519 -19.661 -7.357 1.00 47.79 ? 21 PHE m CA 1 ? ? +43991 ATOM C CB . PHE AF 24 21 ? 21.319 -18.356 -7.518 1.00 47.92 ? 21 PHE m CB 1 ? ? +43992 ATOM C CG . PHE AF 24 21 ? 22.385 -18.152 -6.490 1.00 48.35 ? 21 PHE m CG 1 ? ? +43993 ATOM C CD1 . PHE AF 24 21 ? 23.484 -18.978 -6.446 1.00 48.57 ? 21 PHE m CD1 1 ? ? +43994 ATOM C CD2 . PHE AF 24 21 ? 22.278 -17.142 -5.549 1.00 48.66 ? 21 PHE m CD2 1 ? ? +43995 ATOM C CE1 . PHE AF 24 21 ? 24.475 -18.788 -5.482 1.00 49.04 ? 21 PHE m CE1 1 ? ? +43996 ATOM C CE2 . PHE AF 24 21 ? 23.264 -16.964 -4.577 1.00 49.11 ? 21 PHE m CE2 1 ? ? +43997 ATOM C CZ . PHE AF 24 21 ? 24.361 -17.780 -4.560 1.00 49.22 ? 21 PHE m CZ 1 ? ? +43998 ATOM C C . PHE AF 24 21 ? 20.033 -19.845 -5.921 1.00 47.87 ? 21 PHE m C 1 ? ? +43999 ATOM O O . PHE AF 24 21 ? 20.506 -20.722 -5.203 1.00 48.31 ? 21 PHE m O 1 ? ? +44000 ATOM N N . LEU AF 24 22 ? 19.083 -19.009 -5.496 1.00 47.59 ? 22 LEU m N 1 ? ? +44001 ATOM C CA . LEU AF 24 22 ? 18.557 -19.092 -4.141 1.00 47.72 ? 22 LEU m CA 1 ? ? +44002 ATOM C CB . LEU AF 24 22 ? 17.600 -17.931 -3.867 1.00 47.71 ? 22 LEU m CB 1 ? ? +44003 ATOM C CG . LEU AF 24 22 ? 18.211 -16.543 -3.879 1.00 47.66 ? 22 LEU m CG 1 ? ? +44004 ATOM C CD1 . LEU AF 24 22 ? 17.161 -15.504 -3.721 1.00 47.45 ? 22 LEU m CD1 1 ? ? +44005 ATOM C CD2 . LEU AF 24 22 ? 19.280 -16.399 -2.783 1.00 48.12 ? 22 LEU m CD2 1 ? ? +44006 ATOM C C . LEU AF 24 22 ? 17.847 -20.417 -3.861 1.00 47.61 ? 22 LEU m C 1 ? ? +44007 ATOM O O . LEU AF 24 22 ? 17.967 -20.944 -2.760 1.00 47.92 ? 22 LEU m O 1 ? ? +44008 ATOM N N . ILE AF 24 23 ? 17.135 -20.966 -4.855 1.00 47.22 ? 23 ILE m N 1 ? ? +44009 ATOM C CA . ILE AF 24 23 ? 16.435 -22.231 -4.683 1.00 47.30 ? 23 ILE m CA 1 ? ? +44010 ATOM C CB . ILE AF 24 23 ? 15.431 -22.484 -5.849 1.00 47.22 ? 23 ILE m CB 1 ? ? +44011 ATOM C CG1 . ILE AF 24 23 ? 14.293 -21.420 -5.877 1.00 47.22 ? 23 ILE m CG1 1 ? ? +44012 ATOM C CG2 . ILE AF 24 23 ? 14.809 -23.907 -5.771 1.00 47.34 ? 23 ILE m CG2 1 ? ? +44013 ATOM C CD1 . ILE AF 24 23 ? 13.454 -21.400 -7.138 1.00 46.88 ? 23 ILE m CD1 1 ? ? +44014 ATOM C C . ILE AF 24 23 ? 17.415 -23.389 -4.509 1.00 47.38 ? 23 ILE m C 1 ? ? +44015 ATOM O O . ILE AF 24 23 ? 17.236 -24.243 -3.644 1.00 47.62 ? 23 ILE m O 1 ? ? +44016 ATOM N N . ILE AF 24 24 ? 18.472 -23.419 -5.320 1.00 47.19 ? 24 ILE m N 1 ? ? +44017 ATOM C CA . ILE AF 24 24 ? 19.533 -24.397 -5.125 1.00 47.31 ? 24 ILE m CA 1 ? ? +44018 ATOM C CB . ILE AF 24 24 ? 20.665 -24.185 -6.152 1.00 47.19 ? 24 ILE m CB 1 ? ? +44019 ATOM C CG1 . ILE AF 24 24 ? 20.186 -24.525 -7.568 1.00 46.89 ? 24 ILE m CG1 1 ? ? +44020 ATOM C CG2 . ILE AF 24 24 ? 21.912 -24.982 -5.797 1.00 47.57 ? 24 ILE m CG2 1 ? ? +44021 ATOM C CD1 . ILE AF 24 24 ? 20.985 -23.866 -8.674 1.00 46.82 ? 24 ILE m CD1 1 ? ? +44022 ATOM C C . ILE AF 24 24 ? 20.047 -24.350 -3.688 1.00 47.72 ? 24 ILE m C 1 ? ? +44023 ATOM O O . ILE AF 24 24 ? 20.103 -25.376 -3.012 1.00 48.06 ? 24 ILE m O 1 ? ? +44024 ATOM N N . LEU AF 24 25 ? 20.416 -23.155 -3.220 1.00 47.83 ? 25 LEU m N 1 ? ? +44025 ATOM C CA . LEU AF 24 25 ? 21.014 -23.023 -1.902 1.00 48.31 ? 25 LEU m CA 1 ? ? +44026 ATOM C CB . LEU AF 24 25 ? 21.508 -21.593 -1.656 1.00 48.44 ? 25 LEU m CB 1 ? ? +44027 ATOM C CG . LEU AF 24 25 ? 22.805 -21.172 -2.386 1.00 48.43 ? 25 LEU m CG 1 ? ? +44028 ATOM C CD1 . LEU AF 24 25 ? 23.329 -19.857 -1.850 1.00 48.65 ? 25 LEU m CD1 1 ? ? +44029 ATOM C CD2 . LEU AF 24 25 ? 23.873 -22.195 -2.256 1.00 48.68 ? 25 LEU m CD2 1 ? ? +44030 ATOM C C . LEU AF 24 25 ? 20.035 -23.430 -0.808 1.00 48.53 ? 25 LEU m C 1 ? ? +44031 ATOM O O . LEU AF 24 25 ? 20.424 -24.098 0.152 1.00 48.91 ? 25 LEU m O 1 ? ? +44032 ATOM N N . TYR AF 24 26 ? 18.769 -23.024 -0.958 1.00 48.30 ? 26 TYR m N 1 ? ? +44033 ATOM C CA . TYR AF 24 26 ? 17.753 -23.372 0.022 1.00 48.51 ? 26 TYR m CA 1 ? ? +44034 ATOM C CB . TYR AF 24 26 ? 16.412 -22.691 -0.298 1.00 48.38 ? 26 TYR m CB 1 ? ? +44035 ATOM C CG . TYR AF 24 26 ? 15.335 -23.167 0.634 1.00 48.69 ? 26 TYR m CG 1 ? ? +44036 ATOM C CD1 . TYR AF 24 26 ? 15.403 -22.903 1.991 1.00 49.13 ? 26 TYR m CD1 1 ? ? +44037 ATOM C CD2 . TYR AF 24 26 ? 14.283 -23.953 0.173 1.00 48.74 ? 26 TYR m CD2 1 ? ? +44038 ATOM C CE1 . TYR AF 24 26 ? 14.435 -23.373 2.866 1.00 49.66 ? 26 TYR m CE1 1 ? ? +44039 ATOM C CE2 . TYR AF 24 26 ? 13.301 -24.421 1.038 1.00 49.14 ? 26 TYR m CE2 1 ? ? +44040 ATOM C CZ . TYR AF 24 26 ? 13.381 -24.129 2.385 1.00 49.68 ? 26 TYR m CZ 1 ? ? +44041 ATOM O OH . TYR AF 24 26 ? 12.427 -24.584 3.259 1.00 50.41 ? 26 TYR m OH 1 ? ? +44042 ATOM C C . TYR AF 24 26 ? 17.544 -24.880 0.115 1.00 48.64 ? 26 TYR m C 1 ? ? +44043 ATOM O O . TYR AF 24 26 ? 17.591 -25.454 1.197 1.00 48.87 ? 26 TYR m O 1 ? ? +44044 ATOM N N . VAL AF 24 27 ? 17.323 -25.525 -1.031 1.00 48.58 ? 27 VAL m N 1 ? ? +44045 ATOM C CA . VAL AF 24 27 ? 16.991 -26.938 -1.049 1.00 49.06 ? 27 VAL m CA 1 ? ? +44046 ATOM C CB . VAL AF 24 27 ? 16.554 -27.385 -2.463 1.00 48.85 ? 27 VAL m CB 1 ? ? +44047 ATOM C CG1 . VAL AF 24 27 ? 16.343 -28.897 -2.534 1.00 49.16 ? 27 VAL m CG1 1 ? ? +44048 ATOM C CG2 . VAL AF 24 27 ? 15.278 -26.672 -2.892 1.00 48.60 ? 27 VAL m CG2 1 ? ? +44049 ATOM C C . VAL AF 24 27 ? 18.130 -27.787 -0.491 1.00 49.73 ? 27 VAL m C 1 ? ? +44050 ATOM O O . VAL AF 24 27 ? 17.871 -28.721 0.262 1.00 50.14 ? 27 VAL m O 1 ? ? +44051 ATOM N N . GLN AF 24 28 ? 19.386 -27.449 -0.820 1.00 50.07 ? 28 GLN m N 1 ? ? +44052 ATOM C CA . GLN AF 24 28 ? 20.512 -28.213 -0.299 1.00 50.83 ? 28 GLN m CA 1 ? ? +44053 ATOM C CB . GLN AF 24 28 ? 21.794 -28.008 -1.142 1.00 50.49 ? 28 GLN m CB 1 ? ? +44054 ATOM C CG . GLN AF 24 28 ? 22.473 -26.651 -1.063 1.00 50.36 ? 28 GLN m CG 1 ? ? +44055 ATOM C CD . GLN AF 24 28 ? 23.341 -26.493 0.153 1.00 50.68 ? 28 GLN m CD 1 ? ? +44056 ATOM O OE1 . GLN AF 24 28 ? 24.099 -27.385 0.510 1.00 51.10 ? 28 GLN m OE1 1 ? ? +44057 ATOM N NE2 . GLN AF 24 28 ? 23.231 -25.365 0.833 1.00 50.64 ? 28 GLN m NE2 1 ? ? +44058 ATOM C C . GLN AF 24 28 ? 20.769 -27.954 1.183 1.00 51.89 ? 28 GLN m C 1 ? ? +44059 ATOM O O . GLN AF 24 28 ? 21.401 -28.778 1.834 1.00 52.52 ? 28 GLN m O 1 ? ? +44060 ATOM N N . THR AF 24 29 ? 20.275 -26.831 1.717 1.00 52.66 ? 29 THR m N 1 ? ? +44061 ATOM C CA . THR AF 24 29 ? 20.304 -26.596 3.154 1.00 54.00 ? 29 THR m CA 1 ? ? +44062 ATOM C CB . THR AF 24 29 ? 19.973 -25.133 3.489 1.00 53.67 ? 29 THR m CB 1 ? ? +44063 ATOM O OG1 . THR AF 24 29 ? 20.774 -24.272 2.674 1.00 53.08 ? 29 THR m OG1 1 ? ? +44064 ATOM C CG2 . THR AF 24 29 ? 20.177 -24.806 4.968 1.00 54.10 ? 29 THR m CG2 1 ? ? +44065 ATOM C C . THR AF 24 29 ? 19.337 -27.522 3.887 1.00 55.80 ? 29 THR m C 1 ? ? +44066 ATOM O O . THR AF 24 29 ? 19.718 -28.148 4.871 1.00 56.69 ? 29 THR m O 1 ? ? +44067 ATOM N N . GLU AF 24 30 ? 18.086 -27.582 3.399 1.00 57.43 ? 30 GLU m N 1 ? ? +44068 ATOM C CA . GLU AF 24 30 ? 17.056 -28.448 3.955 1.00 59.26 ? 30 GLU m CA 1 ? ? +44069 ATOM C CB . GLU AF 24 30 ? 15.762 -28.303 3.150 1.00 59.72 ? 30 GLU m CB 1 ? ? +44070 ATOM C CG . GLU AF 24 30 ? 15.008 -27.041 3.508 1.00 60.50 ? 30 GLU m CG 1 ? ? +44071 ATOM C CD . GLU AF 24 30 ? 14.327 -27.120 4.857 1.00 61.66 ? 30 GLU m CD 1 ? ? +44072 ATOM O OE1 . GLU AF 24 30 ? 13.154 -27.561 4.898 1.00 62.67 ? 30 GLU m OE1 1 ? ? +44073 ATOM O OE2 . GLU AF 24 30 ? 14.968 -26.772 5.875 1.00 62.69 ? 30 GLU m OE2 1 ? ? +44074 ATOM C C . GLU AF 24 30 ? 17.453 -29.919 3.993 1.00 60.74 ? 30 GLU m C 1 ? ? +44075 ATOM O O . GLU AF 24 30 ? 17.195 -30.601 4.974 1.00 61.01 ? 30 GLU m O 1 ? ? +44076 ATOM N N . SER AF 24 31 ? 18.096 -30.396 2.923 1.00 63.20 ? 31 SER m N 1 ? ? +44077 ATOM C CA . SER AF 24 31 ? 18.493 -31.793 2.830 1.00 64.49 ? 31 SER m CA 1 ? ? +44078 ATOM C CB . SER AF 24 31 ? 18.735 -32.172 1.372 1.00 64.02 ? 31 SER m CB 1 ? ? +44079 ATOM O OG . SER AF 24 31 ? 19.941 -31.617 0.872 1.00 64.22 ? 31 SER m OG 1 ? ? +44080 ATOM C C . SER AF 24 31 ? 19.713 -32.166 3.671 1.00 66.41 ? 31 SER m C 1 ? ? +44081 ATOM O O . SER AF 24 31 ? 20.037 -33.346 3.760 1.00 66.82 ? 31 SER m O 1 ? ? +44082 ATOM N N . GLN AF 24 32 ? 20.387 -31.175 4.274 1.00 69.12 ? 32 GLN m N 1 ? ? +44083 ATOM C CA . GLN AF 24 32 ? 21.449 -31.442 5.232 1.00 73.53 ? 32 GLN m CA 1 ? ? +44084 ATOM C CB . GLN AF 24 32 ? 22.248 -30.174 5.573 1.00 73.14 ? 32 GLN m CB 1 ? ? +44085 ATOM C CG . GLN AF 24 32 ? 23.206 -29.735 4.482 1.00 72.47 ? 32 GLN m CG 1 ? ? +44086 ATOM C CD . GLN AF 24 32 ? 23.767 -28.348 4.727 1.00 72.02 ? 32 GLN m CD 1 ? ? +44087 ATOM O OE1 . GLN AF 24 32 ? 24.052 -27.956 5.860 1.00 73.77 ? 32 GLN m OE1 1 ? ? +44088 ATOM N NE2 . GLN AF 24 32 ? 23.897 -27.550 3.676 1.00 70.82 ? 32 GLN m NE2 1 ? ? +44089 ATOM C C . GLN AF 24 32 ? 20.838 -32.041 6.492 1.00 79.96 ? 32 GLN m C 1 ? ? +44090 ATOM O O . GLN AF 24 32 ? 19.699 -31.720 6.829 1.00 84.98 ? 32 GLN m O 1 ? ? +44091 ATOM N N . GLN AF 24 33 ? 21.601 -32.932 7.136 1.00 90.99 ? 33 GLN m N 1 ? ? +44092 ATOM C CA . GLN AF 24 33 ? 21.090 -33.836 8.157 1.00 104.18 ? 33 GLN m CA 1 ? ? +44093 ATOM C CB . GLN AF 24 33 ? 22.163 -34.899 8.524 1.00 108.44 ? 33 GLN m CB 1 ? ? +44094 ATOM C CG . GLN AF 24 33 ? 22.282 -36.030 7.495 1.00 111.25 ? 33 GLN m CG 1 ? ? +44095 ATOM C CD . GLN AF 24 33 ? 21.097 -36.984 7.510 1.00 113.11 ? 33 GLN m CD 1 ? ? +44096 ATOM O OE1 . GLN AF 24 33 ? 20.340 -37.069 8.485 1.00 112.31 ? 33 GLN m OE1 1 ? ? +44097 ATOM N NE2 . GLN AF 24 33 ? 20.919 -37.744 6.433 1.00 113.81 ? 33 GLN m NE2 1 ? ? +44098 ATOM C C . GLN AF 24 33 ? 20.631 -33.107 9.419 1.00 111.58 ? 33 GLN m C 1 ? ? +44099 ATOM O O . GLN AF 24 33 ? 21.416 -32.384 10.033 1.00 111.00 ? 33 GLN m O 1 ? ? +44100 ATOM N N . LYS AF 24 34 ? 19.357 -33.336 9.788 1.00 116.46 ? 34 LYS m N 1 ? ? +44101 ATOM C CA . LYS AF 24 34 ? 18.720 -32.699 10.932 1.00 117.83 ? 34 LYS m CA 1 ? ? +44102 ATOM C CB . LYS AF 24 34 ? 19.511 -33.014 12.235 1.00 120.61 ? 34 LYS m CB 1 ? ? +44103 ATOM C CG . LYS AF 24 34 ? 18.794 -32.709 13.561 1.00 121.23 ? 34 LYS m CG 1 ? ? +44104 ATOM C CD . LYS AF 24 34 ? 19.647 -33.135 14.790 1.00 119.97 ? 34 LYS m CD 1 ? ? +44105 ATOM C CE . LYS AF 24 34 ? 18.990 -32.845 16.122 1.00 117.52 ? 34 LYS m CE 1 ? ? +44106 ATOM N NZ . LYS AF 24 34 ? 18.819 -31.391 16.346 1.00 116.31 ? 34 LYS m NZ 1 ? ? +44107 ATOM C C . LYS AF 24 34 ? 18.601 -31.187 10.633 1.00 117.66 ? 34 LYS m C 1 ? ? +44108 ATOM O O . LYS AF 24 34 ? 18.219 -30.817 9.516 1.00 114.86 ? 34 LYS m O 1 ? ? +44109 ATOM O OXT . LYS AF 24 34 ? 18.891 -30.347 11.483 1.00 117.52 ? 34 LYS m OXT 1 ? ? +44110 ATOM N N . THR AG 13 1 ? -45.706 24.676 -13.425 1.00 103.29 ? 4 THR o N 1 ? ? +44111 ATOM C CA . THR AG 13 1 ? -44.345 24.805 -13.946 1.00 102.26 ? 4 THR o CA 1 ? ? +44112 ATOM C CB . THR AG 13 1 ? -44.240 26.089 -14.833 1.00 104.84 ? 4 THR o CB 1 ? ? +44113 ATOM O OG1 . THR AG 13 1 ? -43.250 25.892 -15.847 1.00 104.47 ? 4 THR o OG1 1 ? ? +44114 ATOM C CG2 . THR AG 13 1 ? -43.918 27.353 -14.030 1.00 105.53 ? 4 THR o CG2 1 ? ? +44115 ATOM C C . THR AG 13 1 ? -43.361 24.743 -12.775 1.00 98.32 ? 4 THR o C 1 ? ? +44116 ATOM O O . THR AG 13 1 ? -43.748 24.865 -11.616 1.00 99.76 ? 4 THR o O 1 ? ? +44117 ATOM N N . LEU AG 13 2 ? -42.077 24.570 -13.094 1.00 93.81 ? 5 LEU o N 1 ? ? +44118 ATOM C CA . LEU AG 13 2 ? -41.074 24.162 -12.122 1.00 89.52 ? 5 LEU o CA 1 ? ? +44119 ATOM C CB . LEU AG 13 2 ? -40.407 22.871 -12.632 1.00 88.30 ? 5 LEU o CB 1 ? ? +44120 ATOM C CG . LEU AG 13 2 ? -41.319 21.657 -12.838 1.00 88.90 ? 5 LEU o CG 1 ? ? +44121 ATOM C CD1 . LEU AG 13 2 ? -40.621 20.571 -13.652 1.00 87.72 ? 5 LEU o CD1 1 ? ? +44122 ATOM C CD2 . LEU AG 13 2 ? -41.793 21.107 -11.499 1.00 89.33 ? 5 LEU o CD2 1 ? ? +44123 ATOM C C . LEU AG 13 2 ? -40.020 25.250 -11.931 1.00 85.72 ? 5 LEU o C 1 ? ? +44124 ATOM O O . LEU AG 13 2 ? -39.815 26.080 -12.815 1.00 86.16 ? 5 LEU o O 1 ? ? +44125 ATOM N N . THR AG 13 3 ? -39.349 25.223 -10.772 1.00 81.68 ? 6 THR o N 1 ? ? +44126 ATOM C CA . THR AG 13 3 ? -38.172 26.043 -10.532 1.00 78.45 ? 6 THR o CA 1 ? ? +44127 ATOM C CB . THR AG 13 3 ? -38.254 26.721 -9.186 1.00 78.49 ? 6 THR o CB 1 ? ? +44128 ATOM O OG1 . THR AG 13 3 ? -38.147 25.715 -8.183 1.00 77.93 ? 6 THR o OG1 1 ? ? +44129 ATOM C CG2 . THR AG 13 3 ? -39.538 27.519 -9.020 1.00 79.82 ? 6 THR o CG2 1 ? ? +44130 ATOM C C . THR AG 13 3 ? -36.917 25.182 -10.596 1.00 75.16 ? 6 THR o C 1 ? ? +44131 ATOM O O . THR AG 13 3 ? -37.008 23.953 -10.599 1.00 74.18 ? 6 THR o O 1 ? ? +44132 ATOM N N . TYR AG 13 4 ? -35.756 25.855 -10.613 1.00 73.04 ? 7 TYR o N 1 ? ? +44133 ATOM C CA . TYR AG 13 4 ? -34.450 25.213 -10.672 1.00 70.22 ? 7 TYR o CA 1 ? ? +44134 ATOM C CB . TYR AG 13 4 ? -33.340 26.254 -10.539 1.00 69.30 ? 7 TYR o CB 1 ? ? +44135 ATOM C CG . TYR AG 13 4 ? -31.934 25.687 -10.614 1.00 68.03 ? 7 TYR o CG 1 ? ? +44136 ATOM C CD1 . TYR AG 13 4 ? -31.401 25.246 -11.821 1.00 67.21 ? 7 TYR o CD1 1 ? ? +44137 ATOM C CD2 . TYR AG 13 4 ? -31.145 25.574 -9.478 1.00 67.18 ? 7 TYR o CD2 1 ? ? +44138 ATOM C CE1 . TYR AG 13 4 ? -30.122 24.721 -11.897 1.00 65.97 ? 7 TYR o CE1 1 ? ? +44139 ATOM C CE2 . TYR AG 13 4 ? -29.859 25.061 -9.547 1.00 66.15 ? 7 TYR o CE2 1 ? ? +44140 ATOM C CZ . TYR AG 13 4 ? -29.346 24.636 -10.762 1.00 65.60 ? 7 TYR o CZ 1 ? ? +44141 ATOM O OH . TYR AG 13 4 ? -28.063 24.115 -10.861 1.00 64.66 ? 7 TYR o OH 1 ? ? +44142 ATOM C C . TYR AG 13 4 ? -34.273 24.168 -9.580 1.00 69.49 ? 7 TYR o C 1 ? ? +44143 ATOM O O . TYR AG 13 4 ? -33.753 23.084 -9.828 1.00 68.68 ? 7 TYR o O 1 ? ? +44144 ATOM N N . ASP AG 13 5 ? -34.701 24.508 -8.363 1.00 70.16 ? 8 ASP o N 1 ? ? +44145 ATOM C CA . ASP AG 13 5 ? -34.590 23.598 -7.235 1.00 70.18 ? 8 ASP o CA 1 ? ? +44146 ATOM C CB . ASP AG 13 5 ? -34.918 24.331 -5.921 1.00 70.54 ? 8 ASP o CB 1 ? ? +44147 ATOM C CG . ASP AG 13 5 ? -33.859 25.326 -5.490 1.00 70.07 ? 8 ASP o CG 1 ? ? +44148 ATOM O OD1 . ASP AG 13 5 ? -32.725 24.895 -5.185 1.00 69.46 ? 8 ASP o OD1 1 ? ? +44149 ATOM O OD2 . ASP AG 13 5 ? -34.160 26.529 -5.466 1.00 70.69 ? 8 ASP o OD2 1 ? ? +44150 ATOM C C . ASP AG 13 5 ? -35.449 22.342 -7.389 1.00 70.73 ? 8 ASP o C 1 ? ? +44151 ATOM O O . ASP AG 13 5 ? -35.045 21.288 -6.896 1.00 70.92 ? 8 ASP o O 1 ? ? +44152 ATOM N N . ASP AG 13 6 ? -36.603 22.442 -8.080 1.00 70.90 ? 9 ASP o N 1 ? ? +44153 ATOM C CA . ASP AG 13 6 ? -37.361 21.256 -8.453 1.00 70.76 ? 9 ASP o CA 1 ? ? +44154 ATOM C CB . ASP AG 13 6 ? -38.715 21.609 -9.072 1.00 71.87 ? 9 ASP o CB 1 ? ? +44155 ATOM C CG . ASP AG 13 6 ? -39.595 22.472 -8.218 1.00 72.99 ? 9 ASP o CG 1 ? ? +44156 ATOM O OD1 . ASP AG 13 6 ? -39.754 22.149 -7.030 1.00 73.40 ? 9 ASP o OD1 1 ? ? +44157 ATOM O OD2 . ASP AG 13 6 ? -40.136 23.471 -8.746 1.00 73.61 ? 9 ASP o OD2 1 ? ? +44158 ATOM C C . ASP AG 13 6 ? -36.625 20.352 -9.447 1.00 69.63 ? 9 ASP o C 1 ? ? +44159 ATOM O O . ASP AG 13 6 ? -36.696 19.128 -9.345 1.00 69.52 ? 9 ASP o O 1 ? ? +44160 ATOM N N . ILE AG 13 7 ? -35.917 20.958 -10.408 1.00 68.78 ? 10 ILE o N 1 ? ? +44161 ATOM C CA . ILE AG 13 7 ? -35.276 20.225 -11.493 1.00 67.64 ? 10 ILE o CA 1 ? ? +44162 ATOM C CB . ILE AG 13 7 ? -35.312 21.119 -12.775 1.00 68.12 ? 10 ILE o CB 1 ? ? +44163 ATOM C CG1 . ILE AG 13 7 ? -36.740 21.309 -13.282 1.00 69.47 ? 10 ILE o CG1 1 ? ? +44164 ATOM C CG2 . ILE AG 13 7 ? -34.478 20.564 -13.882 1.00 67.57 ? 10 ILE o CG2 1 ? ? +44165 ATOM C CD1 . ILE AG 13 7 ? -36.884 22.444 -14.301 1.00 70.04 ? 10 ILE o CD1 1 ? ? +44166 ATOM C C . ILE AG 13 7 ? -33.852 19.743 -11.201 1.00 66.05 ? 10 ILE o C 1 ? ? +44167 ATOM O O . ILE AG 13 7 ? -33.435 18.712 -11.723 1.00 65.40 ? 10 ILE o O 1 ? ? +44168 ATOM N N . VAL AG 13 8 ? -33.092 20.488 -10.392 1.00 65.20 ? 11 VAL o N 1 ? ? +44169 ATOM C CA . VAL AG 13 8 ? -31.656 20.249 -10.300 1.00 64.04 ? 11 VAL o CA 1 ? ? +44170 ATOM C CB . VAL AG 13 8 ? -30.926 21.221 -9.331 1.00 63.78 ? 11 VAL o CB 1 ? ? +44171 ATOM C CG1 . VAL AG 13 8 ? -31.343 21.019 -7.885 1.00 64.09 ? 11 VAL o CG1 1 ? ? +44172 ATOM C CG2 . VAL AG 13 8 ? -29.419 21.090 -9.483 1.00 62.79 ? 11 VAL o CG2 1 ? ? +44173 ATOM C C . VAL AG 13 8 ? -31.332 18.803 -9.924 1.00 63.13 ? 11 VAL o C 1 ? ? +44174 ATOM O O . VAL AG 13 8 ? -31.940 18.245 -9.018 1.00 64.01 ? 11 VAL o O 1 ? ? +44175 ATOM N N . GLY AG 13 9 ? -30.388 18.194 -10.644 1.00 61.69 ? 12 GLY o N 1 ? ? +44176 ATOM C CA . GLY AG 13 9 ? -29.969 16.836 -10.348 1.00 60.76 ? 12 GLY o CA 1 ? ? +44177 ATOM C C . GLY AG 13 9 ? -30.804 15.721 -10.976 1.00 60.61 ? 12 GLY o C 1 ? ? +44178 ATOM O O . GLY AG 13 9 ? -30.367 14.576 -10.994 1.00 59.98 ? 12 GLY o O 1 ? ? +44179 ATOM N N . THR AG 13 10 ? -31.993 16.049 -11.494 1.00 61.11 ? 13 THR o N 1 ? ? +44180 ATOM C CA . THR AG 13 10 ? -32.942 15.030 -11.917 1.00 61.19 ? 13 THR o CA 1 ? ? +44181 ATOM C CB . THR AG 13 10 ? -34.377 15.546 -11.866 1.00 61.95 ? 13 THR o CB 1 ? ? +44182 ATOM O OG1 . THR AG 13 10 ? -34.575 16.500 -12.904 1.00 62.05 ? 13 THR o OG1 1 ? ? +44183 ATOM C CG2 . THR AG 13 10 ? -34.718 16.155 -10.535 1.00 62.45 ? 13 THR o CG2 1 ? ? +44184 ATOM C C . THR AG 13 10 ? -32.686 14.492 -13.321 1.00 60.76 ? 13 THR o C 1 ? ? +44185 ATOM O O . THR AG 13 10 ? -33.056 13.362 -13.614 1.00 60.84 ? 13 THR o O 1 ? ? +44186 ATOM N N . GLY AG 13 11 ? -32.096 15.313 -14.194 1.00 60.42 ? 14 GLY o N 1 ? ? +44187 ATOM C CA . GLY AG 13 11 ? -31.940 14.950 -15.592 1.00 60.18 ? 14 GLY o CA 1 ? ? +44188 ATOM C C . GLY AG 13 11 ? -32.958 15.621 -16.511 1.00 60.96 ? 14 GLY o C 1 ? ? +44189 ATOM O O . GLY AG 13 11 ? -32.819 15.577 -17.736 1.00 60.81 ? 14 GLY o O 1 ? ? +44190 ATOM N N . LEU AG 13 12 ? -33.999 16.222 -15.912 1.00 61.91 ? 15 LEU o N 1 ? ? +44191 ATOM C CA . LEU AG 13 12 ? -35.010 16.957 -16.655 1.00 62.64 ? 15 LEU o CA 1 ? ? +44192 ATOM C CB . LEU AG 13 12 ? -36.160 17.375 -15.717 1.00 63.52 ? 15 LEU o CB 1 ? ? +44193 ATOM C CG . LEU AG 13 12 ? -37.125 16.255 -15.203 1.00 63.79 ? 15 LEU o CG 1 ? ? +44194 ATOM C CD1 . LEU AG 13 12 ? -38.215 16.839 -14.334 1.00 64.57 ? 15 LEU o CD1 1 ? ? +44195 ATOM C CD2 . LEU AG 13 12 ? -37.736 15.462 -16.339 1.00 63.93 ? 15 LEU o CD2 1 ? ? +44196 ATOM C C . LEU AG 13 12 ? -34.440 18.185 -17.367 1.00 62.69 ? 15 LEU o C 1 ? ? +44197 ATOM O O . LEU AG 13 12 ? -34.950 18.582 -18.405 1.00 63.32 ? 15 LEU o O 1 ? ? +44198 ATOM N N . ALA AG 13 13 ? -33.371 18.779 -16.834 1.00 62.33 ? 16 ALA o N 1 ? ? +44199 ATOM C CA . ALA AG 13 13 ? -32.709 19.908 -17.477 1.00 62.25 ? 16 ALA o CA 1 ? ? +44200 ATOM C CB . ALA AG 13 13 ? -31.543 20.382 -16.623 1.00 61.84 ? 16 ALA o CB 1 ? ? +44201 ATOM C C . ALA AG 13 13 ? -32.204 19.629 -18.893 1.00 61.75 ? 16 ALA o C 1 ? ? +44202 ATOM O O . ALA AG 13 13 ? -32.067 20.557 -19.687 1.00 62.05 ? 16 ALA o O 1 ? ? +44203 ATOM N N . ASN AG 13 14 ? -31.927 18.353 -19.201 1.00 61.01 ? 17 ASN o N 1 ? ? +44204 ATOM C CA . ASN AG 13 14 ? -31.539 17.947 -20.543 1.00 60.45 ? 17 ASN o CA 1 ? ? +44205 ATOM C CB . ASN AG 13 14 ? -30.454 16.891 -20.445 1.00 59.17 ? 17 ASN o CB 1 ? ? +44206 ATOM C CG . ASN AG 13 14 ? -29.774 16.615 -21.752 1.00 58.44 ? 17 ASN o CG 1 ? ? +44207 ATOM O OD1 . ASN AG 13 14 ? -29.423 17.506 -22.497 1.00 58.32 ? 17 ASN o OD1 1 ? ? +44208 ATOM N ND2 . ASN AG 13 14 ? -29.585 15.373 -22.067 1.00 57.96 ? 17 ASN o ND2 1 ? ? +44209 ATOM C C . ASN AG 13 14 ? -32.684 17.423 -21.413 1.00 61.19 ? 17 ASN o C 1 ? ? +44210 ATOM O O . ASN AG 13 14 ? -32.441 16.827 -22.457 1.00 60.74 ? 17 ASN o O 1 ? ? +44211 ATOM N N . LYS AG 13 15 ? -33.936 17.627 -20.986 1.00 62.49 ? 18 LYS o N 1 ? ? +44212 ATOM C CA . LYS AG 13 15 ? -35.091 17.222 -21.780 1.00 63.53 ? 18 LYS o CA 1 ? ? +44213 ATOM C CB . LYS AG 13 15 ? -36.055 16.328 -20.969 1.00 64.16 ? 18 LYS o CB 1 ? ? +44214 ATOM C CG . LYS AG 13 15 ? -35.443 14.965 -20.619 1.00 63.73 ? 18 LYS o CG 1 ? ? +44215 ATOM C CD . LYS AG 13 15 ? -36.389 14.009 -19.913 1.00 64.54 ? 18 LYS o CD 1 ? ? +44216 ATOM C CE . LYS AG 13 15 ? -35.655 12.915 -19.140 1.00 64.24 ? 18 LYS o CE 1 ? ? +44217 ATOM N NZ . LYS AG 13 15 ? -34.595 12.210 -19.965 1.00 63.76 ? 18 LYS o NZ 1 ? ? +44218 ATOM C C . LYS AG 13 15 ? -35.823 18.450 -22.311 1.00 64.50 ? 18 LYS o C 1 ? ? +44219 ATOM O O . LYS AG 13 15 ? -35.890 19.476 -21.642 1.00 64.80 ? 18 LYS o O 1 ? ? +44220 ATOM N N . CYS AG 13 16 ? -36.355 18.334 -23.529 1.00 65.27 ? 19 CYS o N 1 ? ? +44221 ATOM C CA . CYS AG 13 16 ? -37.152 19.392 -24.127 1.00 66.71 ? 19 CYS o CA 1 ? ? +44222 ATOM C CB . CYS AG 13 16 ? -37.065 19.344 -25.651 1.00 66.32 ? 19 CYS o CB 1 ? ? +44223 ATOM S SG . CYS AG 13 16 ? -35.375 19.574 -26.300 1.00 64.77 ? 19 CYS o SG 1 ? ? +44224 ATOM C C . CYS AG 13 16 ? -38.593 19.268 -23.636 1.00 68.57 ? 19 CYS o C 1 ? ? +44225 ATOM O O . CYS AG 13 16 ? -39.024 18.184 -23.245 1.00 68.60 ? 19 CYS o O 1 ? ? +44226 ATOM N N . PRO AG 13 17 ? -39.369 20.370 -23.586 1.00 70.74 ? 20 PRO o N 1 ? ? +44227 ATOM C CA . PRO AG 13 17 ? -40.794 20.271 -23.278 1.00 72.94 ? 20 PRO o CA 1 ? ? +44228 ATOM C CB . PRO AG 13 17 ? -41.273 21.711 -23.428 1.00 73.24 ? 20 PRO o CB 1 ? ? +44229 ATOM C CG . PRO AG 13 17 ? -40.028 22.547 -23.199 1.00 72.13 ? 20 PRO o CG 1 ? ? +44230 ATOM C CD . PRO AG 13 17 ? -38.921 21.759 -23.782 1.00 70.94 ? 20 PRO o CD 1 ? ? +44231 ATOM C C . PRO AG 13 17 ? -41.521 19.312 -24.215 1.00 75.18 ? 20 PRO o C 1 ? ? +44232 ATOM O O . PRO AG 13 17 ? -41.048 19.024 -25.312 1.00 74.72 ? 20 PRO o O 1 ? ? +44233 ATOM N N . THR AG 13 18 ? -42.646 18.778 -23.741 1.00 79.10 ? 21 THR o N 1 ? ? +44234 ATOM C CA . THR AG 13 18 ? -43.559 18.042 -24.598 1.00 82.75 ? 21 THR o CA 1 ? ? +44235 ATOM C CB . THR AG 13 18 ? -43.754 16.593 -24.156 1.00 85.63 ? 21 THR o CB 1 ? ? +44236 ATOM O OG1 . THR AG 13 18 ? -44.271 15.873 -25.287 1.00 88.47 ? 21 THR o OG1 1 ? ? +44237 ATOM C CG2 . THR AG 13 18 ? -44.705 16.464 -22.936 1.00 86.85 ? 21 THR o CG2 1 ? ? +44238 ATOM C C . THR AG 13 18 ? -44.907 18.743 -24.615 1.00 83.17 ? 21 THR o C 1 ? ? +44239 ATOM O O . THR AG 13 18 ? -45.198 19.531 -23.727 1.00 82.79 ? 21 THR o O 1 ? ? +44240 ATOM N N . LEU AG 13 19 ? -45.704 18.436 -25.639 1.00 84.66 ? 22 LEU o N 1 ? ? +44241 ATOM C CA . LEU AG 13 19 ? -47.090 18.863 -25.719 1.00 86.87 ? 22 LEU o CA 1 ? ? +44242 ATOM C CB . LEU AG 13 19 ? -47.381 19.484 -27.084 1.00 86.30 ? 22 LEU o CB 1 ? ? +44243 ATOM C CG . LEU AG 13 19 ? -46.574 20.727 -27.452 1.00 85.17 ? 22 LEU o CG 1 ? ? +44244 ATOM C CD1 . LEU AG 13 19 ? -46.998 21.264 -28.823 1.00 86.08 ? 22 LEU o CD1 1 ? ? +44245 ATOM C CD2 . LEU AG 13 19 ? -46.708 21.831 -26.407 1.00 84.72 ? 22 LEU o CD2 1 ? ? +44246 ATOM C C . LEU AG 13 19 ? -47.946 17.622 -25.481 1.00 89.92 ? 22 LEU o C 1 ? ? +44247 ATOM O O . LEU AG 13 19 ? -47.454 16.500 -25.611 1.00 88.67 ? 22 LEU o O 1 ? ? +44248 ATOM N N . ASP AG 13 20 ? -49.214 17.824 -25.106 1.00 93.68 ? 23 ASP o N 1 ? ? +44249 ATOM C CA . ASP AG 13 20 ? -50.130 16.712 -24.913 1.00 97.89 ? 23 ASP o CA 1 ? ? +44250 ATOM C CB . ASP AG 13 20 ? -51.416 17.157 -24.190 1.00 99.84 ? 23 ASP o CB 1 ? ? +44251 ATOM C CG . ASP AG 13 20 ? -51.243 17.735 -22.812 1.00 99.80 ? 23 ASP o CG 1 ? ? +44252 ATOM O OD1 . ASP AG 13 20 ? -50.365 17.242 -22.062 1.00 98.63 ? 23 ASP o OD1 1 ? ? +44253 ATOM O OD2 . ASP AG 13 20 ? -52.013 18.643 -22.462 1.00 100.47 ? 23 ASP o OD2 1 ? ? +44254 ATOM C C . ASP AG 13 20 ? -50.511 16.090 -26.257 1.00 101.80 ? 23 ASP o C 1 ? ? +44255 ATOM O O . ASP AG 13 20 ? -50.258 16.669 -27.311 1.00 103.82 ? 23 ASP o O 1 ? ? +44256 ATOM N N . ASP AG 13 21 ? -51.146 14.913 -26.209 1.00 105.03 ? 24 ASP o N 1 ? ? +44257 ATOM C CA . ASP AG 13 21 ? -51.799 14.328 -27.370 1.00 107.40 ? 24 ASP o CA 1 ? ? +44258 ATOM C CB . ASP AG 13 21 ? -52.249 12.892 -27.073 1.00 107.91 ? 24 ASP o CB 1 ? ? +44259 ATOM C CG . ASP AG 13 21 ? -51.148 11.943 -26.734 1.00 108.18 ? 24 ASP o CG 1 ? ? +44260 ATOM O OD1 . ASP AG 13 21 ? -49.996 12.404 -26.554 1.00 105.71 ? 24 ASP o OD1 1 ? ? +44261 ATOM O OD2 . ASP AG 13 21 ? -51.425 10.744 -26.650 1.00 111.39 ? 24 ASP o OD2 1 ? ? +44262 ATOM C C . ASP AG 13 21 ? -53.022 15.112 -27.846 1.00 109.09 ? 24 ASP o C 1 ? ? +44263 ATOM O O . ASP AG 13 21 ? -53.492 14.881 -28.958 1.00 111.82 ? 24 ASP o O 1 ? ? +44264 ATOM N N . THR AG 13 22 ? -53.536 16.028 -27.011 1.00 109.28 ? 25 THR o N 1 ? ? +44265 ATOM C CA . THR AG 13 22 ? -54.629 16.903 -27.412 1.00 111.98 ? 25 THR o CA 1 ? ? +44266 ATOM C CB . THR AG 13 22 ? -55.210 17.737 -26.234 1.00 112.36 ? 25 THR o CB 1 ? ? +44267 ATOM O OG1 . THR AG 13 22 ? -54.468 18.956 -26.085 1.00 111.78 ? 25 THR o OG1 1 ? ? +44268 ATOM C CG2 . THR AG 13 22 ? -55.225 16.978 -24.927 1.00 112.04 ? 25 THR o CG2 1 ? ? +44269 ATOM C C . THR AG 13 22 ? -54.177 17.862 -28.513 1.00 112.86 ? 25 THR o C 1 ? ? +44270 ATOM O O . THR AG 13 22 ? -54.966 18.221 -29.391 1.00 116.20 ? 25 THR o O 1 ? ? +44271 ATOM N N . ALA AG 13 23 ? -52.897 18.266 -28.451 1.00 110.53 ? 26 ALA o N 1 ? ? +44272 ATOM C CA . ALA AG 13 23 ? -52.335 19.226 -29.384 1.00 108.99 ? 26 ALA o CA 1 ? ? +44273 ATOM C CB . ALA AG 13 23 ? -51.007 19.723 -28.854 1.00 106.27 ? 26 ALA o CB 1 ? ? +44274 ATOM C C . ALA AG 13 23 ? -52.175 18.644 -30.791 1.00 109.89 ? 26 ALA o C 1 ? ? +44275 ATOM O O . ALA AG 13 23 ? -51.089 18.209 -31.166 1.00 108.57 ? 26 ALA o O 1 ? ? +44276 ATOM N N . ARG AG 13 24 ? -53.273 18.661 -31.561 1.00 113.02 ? 27 ARG o N 1 ? ? +44277 ATOM C CA . ARG AG 13 24 ? -53.275 18.283 -32.965 1.00 113.43 ? 27 ARG o CA 1 ? ? +44278 ATOM C CB . ARG AG 13 24 ? -54.150 17.032 -33.176 1.00 118.39 ? 27 ARG o CB 1 ? ? +44279 ATOM C CG . ARG AG 13 24 ? -53.697 15.787 -32.416 1.00 122.63 ? 27 ARG o CG 1 ? ? +44280 ATOM C CD . ARG AG 13 24 ? -52.462 15.140 -33.048 1.00 127.80 ? 27 ARG o CD 1 ? ? +44281 ATOM N NE . ARG AG 13 24 ? -52.410 13.696 -32.830 1.00 131.85 ? 27 ARG o NE 1 ? ? +44282 ATOM C CZ . ARG AG 13 24 ? -52.656 12.778 -33.763 1.00 133.16 ? 27 ARG o CZ 1 ? ? +44283 ATOM N NH1 . ARG AG 13 24 ? -53.187 13.100 -34.934 1.00 133.15 ? 27 ARG o NH1 1 ? ? +44284 ATOM N NH2 . ARG AG 13 24 ? -52.374 11.503 -33.509 1.00 132.47 ? 27 ARG o NH2 1 ? ? +44285 ATOM C C . ARG AG 13 24 ? -53.791 19.419 -33.851 1.00 110.16 ? 27 ARG o C 1 ? ? +44286 ATOM O O . ARG AG 13 24 ? -54.078 19.197 -35.020 1.00 111.72 ? 27 ARG o O 1 ? ? +44287 ATOM N N . GLY AG 13 25 ? -53.870 20.635 -33.293 1.00 106.10 ? 28 GLY o N 1 ? ? +44288 ATOM C CA . GLY AG 13 25 ? -54.461 21.776 -33.970 1.00 103.77 ? 28 GLY o CA 1 ? ? +44289 ATOM C C . GLY AG 13 25 ? -53.603 22.363 -35.090 1.00 100.81 ? 28 GLY o C 1 ? ? +44290 ATOM O O . GLY AG 13 25 ? -52.773 21.675 -35.679 1.00 98.21 ? 28 GLY o O 1 ? ? +44291 ATOM N N . ALA AG 13 26 ? -53.825 23.651 -35.370 1.00 100.31 ? 29 ALA o N 1 ? ? +44292 ATOM C CA . ALA AG 13 26 ? -53.245 24.323 -36.519 1.00 99.84 ? 29 ALA o CA 1 ? ? +44293 ATOM C CB . ALA AG 13 26 ? -54.225 24.300 -37.689 1.00 101.54 ? 29 ALA o CB 1 ? ? +44294 ATOM C C . ALA AG 13 26 ? -52.903 25.762 -36.149 1.00 99.15 ? 29 ALA o C 1 ? ? +44295 ATOM O O . ALA AG 13 26 ? -53.721 26.453 -35.548 1.00 100.39 ? 29 ALA o O 1 ? ? +44296 ATOM N N . TYR AG 13 27 ? -51.694 26.205 -36.513 1.00 97.35 ? 30 TYR o N 1 ? ? +44297 ATOM C CA . TYR AG 13 27 ? -51.246 27.555 -36.208 1.00 96.61 ? 30 TYR o CA 1 ? ? +44298 ATOM C CB . TYR AG 13 27 ? -49.854 27.520 -35.575 1.00 94.21 ? 30 TYR o CB 1 ? ? +44299 ATOM C CG . TYR AG 13 27 ? -49.397 28.865 -35.063 1.00 93.28 ? 30 TYR o CG 1 ? ? +44300 ATOM C CD1 . TYR AG 13 27 ? -49.821 29.343 -33.829 1.00 92.95 ? 30 TYR o CD1 1 ? ? +44301 ATOM C CD2 . TYR AG 13 27 ? -48.547 29.663 -35.812 1.00 92.85 ? 30 TYR o CD2 1 ? ? +44302 ATOM C CE1 . TYR AG 13 27 ? -49.408 30.580 -33.354 1.00 92.97 ? 30 TYR o CE1 1 ? ? +44303 ATOM C CE2 . TYR AG 13 27 ? -48.123 30.903 -35.345 1.00 93.00 ? 30 TYR o CE2 1 ? ? +44304 ATOM C CZ . TYR AG 13 27 ? -48.562 31.362 -34.117 1.00 93.11 ? 30 TYR o CZ 1 ? ? +44305 ATOM O OH . TYR AG 13 27 ? -48.150 32.578 -33.628 1.00 93.40 ? 30 TYR o OH 1 ? ? +44306 ATOM C C . TYR AG 13 27 ? -51.233 28.430 -37.461 1.00 97.30 ? 30 TYR o C 1 ? ? +44307 ATOM O O . TYR AG 13 27 ? -50.339 28.293 -38.294 1.00 97.51 ? 30 TYR o O 1 ? ? +44308 ATOM N N . PRO AG 13 28 ? -52.200 29.364 -37.631 1.00 97.30 ? 31 PRO o N 1 ? ? +44309 ATOM C CA . PRO AG 13 28 ? -52.309 30.144 -38.866 1.00 98.07 ? 31 PRO o CA 1 ? ? +44310 ATOM C CB . PRO AG 13 28 ? -53.611 30.957 -38.661 1.00 98.93 ? 31 PRO o CB 1 ? ? +44311 ATOM C CG . PRO AG 13 28 ? -54.337 30.291 -37.521 1.00 98.90 ? 31 PRO o CG 1 ? ? +44312 ATOM C CD . PRO AG 13 28 ? -53.241 29.721 -36.654 1.00 97.98 ? 31 PRO o CD 1 ? ? +44313 ATOM C C . PRO AG 13 28 ? -51.111 31.057 -39.126 1.00 97.44 ? 31 PRO o C 1 ? ? +44314 ATOM O O . PRO AG 13 28 ? -50.668 31.780 -38.236 1.00 96.68 ? 31 PRO o O 1 ? ? +44315 ATOM N N . ILE AG 13 29 ? -50.590 30.999 -40.357 1.00 97.70 ? 32 ILE o N 1 ? ? +44316 ATOM C CA . ILE AG 13 29 ? -49.544 31.899 -40.808 1.00 98.09 ? 32 ILE o CA 1 ? ? +44317 ATOM C CB . ILE AG 13 29 ? -48.508 31.136 -41.676 1.00 97.27 ? 32 ILE o CB 1 ? ? +44318 ATOM C CG1 . ILE AG 13 29 ? -47.721 30.103 -40.866 1.00 95.84 ? 32 ILE o CG1 1 ? ? +44319 ATOM C CG2 . ILE AG 13 29 ? -47.568 32.085 -42.414 1.00 97.26 ? 32 ILE o CG2 1 ? ? +44320 ATOM C CD1 . ILE AG 13 29 ? -46.939 30.651 -39.790 1.00 95.04 ? 32 ILE o CD1 1 ? ? +44321 ATOM C C . ILE AG 13 29 ? -50.163 33.053 -41.591 1.00 99.95 ? 32 ILE o C 1 ? ? +44322 ATOM O O . ILE AG 13 29 ? -50.850 32.821 -42.579 1.00 100.12 ? 32 ILE o O 1 ? ? +44323 ATOM N N . ASP AG 13 30 ? -49.912 34.283 -41.130 1.00 102.50 ? 33 ASP o N 1 ? ? +44324 ATOM C CA . ASP AG 13 30 ? -50.306 35.498 -41.825 1.00 105.77 ? 33 ASP o CA 1 ? ? +44325 ATOM C CB . ASP AG 13 30 ? -50.790 36.548 -40.814 1.00 107.32 ? 33 ASP o CB 1 ? ? +44326 ATOM C CG . ASP AG 13 30 ? -51.273 37.847 -41.417 1.00 110.27 ? 33 ASP o CG 1 ? ? +44327 ATOM O OD1 . ASP AG 13 30 ? -51.090 38.039 -42.634 1.00 112.00 ? 33 ASP o OD1 1 ? ? +44328 ATOM O OD2 . ASP AG 13 30 ? -51.841 38.666 -40.675 1.00 112.76 ? 33 ASP o OD2 1 ? ? +44329 ATOM C C . ASP AG 13 30 ? -49.117 36.022 -42.629 1.00 106.98 ? 33 ASP o C 1 ? ? +44330 ATOM O O . ASP AG 13 30 ? -48.156 36.543 -42.059 1.00 107.79 ? 33 ASP o O 1 ? ? +44331 ATOM N N . SER AG 13 31 ? -49.212 35.898 -43.961 1.00 108.59 ? 34 SER o N 1 ? ? +44332 ATOM C CA . SER AG 13 31 ? -48.125 36.229 -44.868 1.00 109.40 ? 34 SER o CA 1 ? ? +44333 ATOM C CB . SER AG 13 31 ? -48.535 35.904 -46.302 1.00 111.11 ? 34 SER o CB 1 ? ? +44334 ATOM O OG . SER AG 13 31 ? -47.544 36.354 -47.205 1.00 112.42 ? 34 SER o OG 1 ? ? +44335 ATOM C C . SER AG 13 31 ? -47.670 37.686 -44.806 1.00 109.27 ? 34 SER o C 1 ? ? +44336 ATOM O O . SER AG 13 31 ? -46.606 38.020 -45.320 1.00 107.03 ? 34 SER o O 1 ? ? +44337 ATOM N N . SER AG 13 32 ? -48.496 38.550 -44.201 1.00 111.21 ? 35 SER o N 1 ? ? +44338 ATOM C CA . SER AG 13 32 ? -48.162 39.956 -44.042 1.00 112.15 ? 35 SER o CA 1 ? ? +44339 ATOM C CB . SER AG 13 32 ? -49.431 40.804 -44.020 1.00 113.06 ? 35 SER o CB 1 ? ? +44340 ATOM O OG . SER AG 13 32 ? -50.204 40.558 -42.856 1.00 113.72 ? 35 SER o OG 1 ? ? +44341 ATOM C C . SER AG 13 32 ? -47.347 40.251 -42.784 1.00 111.41 ? 35 SER o C 1 ? ? +44342 ATOM O O . SER AG 13 32 ? -46.971 41.403 -42.568 1.00 113.02 ? 35 SER o O 1 ? ? +44343 ATOM N N . GLN AG 13 33 ? -47.088 39.219 -41.965 1.00 109.35 ? 36 GLN o N 1 ? ? +44344 ATOM C CA . GLN AG 13 33 ? -46.406 39.409 -40.693 1.00 106.93 ? 36 GLN o CA 1 ? ? +44345 ATOM C CB . GLN AG 13 33 ? -47.294 38.940 -39.519 1.00 108.51 ? 36 GLN o CB 1 ? ? +44346 ATOM C CG . GLN AG 13 33 ? -46.973 39.695 -38.224 1.00 109.36 ? 36 GLN o CG 1 ? ? +44347 ATOM C CD . GLN AG 13 33 ? -48.167 39.768 -37.336 1.00 111.32 ? 36 GLN o CD 1 ? ? +44348 ATOM O OE1 . GLN AG 13 33 ? -48.575 38.760 -36.769 1.00 112.61 ? 36 GLN o OE1 1 ? ? +44349 ATOM N NE2 . GLN AG 13 33 ? -48.757 40.960 -37.198 1.00 112.78 ? 36 GLN o NE2 1 ? ? +44350 ATOM C C . GLN AG 13 33 ? -45.057 38.696 -40.680 1.00 101.10 ? 36 GLN o C 1 ? ? +44351 ATOM O O . GLN AG 13 33 ? -44.837 37.760 -41.440 1.00 98.71 ? 36 GLN o O 1 ? ? +44352 ATOM N N . THR AG 13 34 ? -44.145 39.171 -39.825 1.00 98.14 ? 37 THR o N 1 ? ? +44353 ATOM C CA . THR AG 13 34 ? -42.884 38.491 -39.567 1.00 96.79 ? 37 THR o CA 1 ? ? +44354 ATOM C CB . THR AG 13 34 ? -41.718 39.495 -39.463 1.00 97.08 ? 37 THR o CB 1 ? ? +44355 ATOM O OG1 . THR AG 13 34 ? -42.254 40.764 -39.072 1.00 98.79 ? 37 THR o OG1 1 ? ? +44356 ATOM C CG2 . THR AG 13 34 ? -40.911 39.628 -40.768 1.00 96.76 ? 37 THR o CG2 1 ? ? +44357 ATOM C C . THR AG 13 34 ? -42.975 37.652 -38.293 1.00 93.85 ? 37 THR o C 1 ? ? +44358 ATOM O O . THR AG 13 34 ? -43.398 38.147 -37.252 1.00 94.36 ? 37 THR o O 1 ? ? +44359 ATOM N N . TYR AG 13 35 ? -42.546 36.389 -38.391 1.00 90.59 ? 38 TYR o N 1 ? ? +44360 ATOM C CA . TYR AG 13 35 ? -42.593 35.455 -37.279 1.00 88.39 ? 38 TYR o CA 1 ? ? +44361 ATOM C CB . TYR AG 13 35 ? -43.337 34.184 -37.699 1.00 87.94 ? 38 TYR o CB 1 ? ? +44362 ATOM C CG . TYR AG 13 35 ? -44.821 34.369 -37.922 1.00 88.81 ? 38 TYR o CG 1 ? ? +44363 ATOM C CD1 . TYR AG 13 35 ? -45.307 34.867 -39.119 1.00 89.45 ? 38 TYR o CD1 1 ? ? +44364 ATOM C CD2 . TYR AG 13 35 ? -45.737 34.040 -36.936 1.00 88.85 ? 38 TYR o CD2 1 ? ? +44365 ATOM C CE1 . TYR AG 13 35 ? -46.667 35.025 -39.333 1.00 90.82 ? 38 TYR o CE1 1 ? ? +44366 ATOM C CE2 . TYR AG 13 35 ? -47.096 34.203 -37.131 1.00 90.03 ? 38 TYR o CE2 1 ? ? +44367 ATOM C CZ . TYR AG 13 35 ? -47.562 34.697 -38.333 1.00 91.19 ? 38 TYR o CZ 1 ? ? +44368 ATOM O OH . TYR AG 13 35 ? -48.917 34.862 -38.524 1.00 91.79 ? 38 TYR o OH 1 ? ? +44369 ATOM C C . TYR AG 13 35 ? -41.199 35.080 -36.776 1.00 86.39 ? 38 TYR o C 1 ? ? +44370 ATOM O O . TYR AG 13 35 ? -40.211 35.190 -37.499 1.00 84.99 ? 38 TYR o O 1 ? ? +44371 ATOM N N . ARG AG 13 36 ? -41.143 34.619 -35.524 1.00 85.23 ? 39 ARG o N 1 ? ? +44372 ATOM C CA . ARG AG 13 36 ? -39.894 34.265 -34.869 1.00 83.20 ? 39 ARG o CA 1 ? ? +44373 ATOM C CB . ARG AG 13 36 ? -39.520 35.394 -33.912 1.00 84.26 ? 39 ARG o CB 1 ? ? +44374 ATOM C CG . ARG AG 13 36 ? -38.087 35.417 -33.491 1.00 84.41 ? 39 ARG o CG 1 ? ? +44375 ATOM C CD . ARG AG 13 36 ? -37.755 36.703 -32.752 1.00 85.55 ? 39 ARG o CD 1 ? ? +44376 ATOM N NE . ARG AG 13 36 ? -36.381 36.694 -32.254 1.00 86.05 ? 39 ARG o NE 1 ? ? +44377 ATOM C CZ . ARG AG 13 36 ? -35.283 36.694 -33.011 1.00 85.66 ? 39 ARG o CZ 1 ? ? +44378 ATOM N NH1 . ARG AG 13 36 ? -35.333 36.932 -34.315 1.00 86.25 ? 39 ARG o NH1 1 ? ? +44379 ATOM N NH2 . ARG AG 13 36 ? -34.102 36.481 -32.438 1.00 84.24 ? 39 ARG o NH2 1 ? ? +44380 ATOM C C . ARG AG 13 36 ? -40.047 32.948 -34.114 1.00 80.90 ? 39 ARG o C 1 ? ? +44381 ATOM O O . ARG AG 13 36 ? -41.062 32.715 -33.462 1.00 81.68 ? 39 ARG o O 1 ? ? +44382 ATOM N N . ILE AG 13 37 ? -39.042 32.078 -34.235 1.00 78.51 ? 40 ILE o N 1 ? ? +44383 ATOM C CA . ILE AG 13 37 ? -38.918 30.918 -33.367 1.00 76.80 ? 40 ILE o CA 1 ? ? +44384 ATOM C CB . ILE AG 13 37 ? -38.237 29.713 -34.069 1.00 75.81 ? 40 ILE o CB 1 ? ? +44385 ATOM C CG1 . ILE AG 13 37 ? -39.110 29.234 -35.255 1.00 76.44 ? 40 ILE o CG1 1 ? ? +44386 ATOM C CG2 . ILE AG 13 37 ? -37.932 28.571 -33.072 1.00 74.79 ? 40 ILE o CG2 1 ? ? +44387 ATOM C CD1 . ILE AG 13 37 ? -38.673 27.975 -35.882 1.00 75.82 ? 40 ILE o CD1 1 ? ? +44388 ATOM C C . ILE AG 13 37 ? -38.172 31.380 -32.118 1.00 75.33 ? 40 ILE o C 1 ? ? +44389 ATOM O O . ILE AG 13 37 ? -36.975 31.642 -32.170 1.00 74.03 ? 40 ILE o O 1 ? ? +44390 ATOM N N . ALA AG 13 38 ? -38.915 31.509 -31.010 1.00 74.98 ? 41 ALA o N 1 ? ? +44391 ATOM C CA . ALA AG 13 38 ? -38.389 32.054 -29.769 1.00 73.92 ? 41 ALA o CA 1 ? ? +44392 ATOM C CB . ALA AG 13 38 ? -39.532 32.521 -28.880 1.00 74.73 ? 41 ALA o CB 1 ? ? +44393 ATOM C C . ALA AG 13 38 ? -37.526 31.042 -29.026 1.00 72.10 ? 41 ALA o C 1 ? ? +44394 ATOM O O . ALA AG 13 38 ? -36.579 31.430 -28.350 1.00 71.50 ? 41 ALA o O 1 ? ? +44395 ATOM N N . ARG AG 13 39 ? -37.886 29.758 -29.139 1.00 71.18 ? 42 ARG o N 1 ? ? +44396 ATOM C CA . ARG AG 13 39 ? -37.156 28.675 -28.498 1.00 69.78 ? 42 ARG o CA 1 ? ? +44397 ATOM C CB . ARG AG 13 39 ? -37.720 28.375 -27.104 1.00 69.69 ? 42 ARG o CB 1 ? ? +44398 ATOM C CG . ARG AG 13 39 ? -37.003 27.230 -26.407 1.00 68.57 ? 42 ARG o CG 1 ? ? +44399 ATOM C CD . ARG AG 13 39 ? -37.541 26.935 -25.033 1.00 68.54 ? 42 ARG o CD 1 ? ? +44400 ATOM N NE . ARG AG 13 39 ? -36.792 25.852 -24.406 1.00 67.57 ? 42 ARG o NE 1 ? ? +44401 ATOM C CZ . ARG AG 13 39 ? -37.071 25.331 -23.219 1.00 67.38 ? 42 ARG o CZ 1 ? ? +44402 ATOM N NH1 . ARG AG 13 39 ? -38.097 25.755 -22.503 1.00 68.12 ? 42 ARG o NH1 1 ? ? +44403 ATOM N NH2 . ARG AG 13 39 ? -36.323 24.338 -22.749 1.00 66.43 ? 42 ARG o NH2 1 ? ? +44404 ATOM C C . ARG AG 13 39 ? -37.253 27.415 -29.353 1.00 69.25 ? 42 ARG o C 1 ? ? +44405 ATOM O O . ARG AG 13 39 ? -38.359 26.944 -29.609 1.00 70.11 ? 42 ARG o O 1 ? ? +44406 ATOM N N . LEU AG 13 40 ? -36.100 26.903 -29.802 1.00 67.83 ? 43 LEU o N 1 ? ? +44407 ATOM C CA . LEU AG 13 40 ? -36.022 25.613 -30.463 1.00 67.11 ? 43 LEU o CA 1 ? ? +44408 ATOM C CB . LEU AG 13 40 ? -35.497 25.735 -31.898 1.00 66.93 ? 43 LEU o CB 1 ? ? +44409 ATOM C CG . LEU AG 13 40 ? -35.181 24.410 -32.608 1.00 66.33 ? 43 LEU o CG 1 ? ? +44410 ATOM C CD1 . LEU AG 13 40 ? -36.451 23.580 -32.815 1.00 66.97 ? 43 LEU o CD1 1 ? ? +44411 ATOM C CD2 . LEU AG 13 40 ? -34.523 24.655 -33.939 1.00 66.14 ? 43 LEU o CD2 1 ? ? +44412 ATOM C C . LEU AG 13 40 ? -35.123 24.692 -29.641 1.00 66.00 ? 43 LEU o C 1 ? ? +44413 ATOM O O . LEU AG 13 40 ? -34.001 25.052 -29.285 1.00 65.23 ? 43 LEU o O 1 ? ? +44414 ATOM N N . CYS AG 13 41 ? -35.643 23.495 -29.356 1.00 65.74 ? 44 CYS o N 1 ? ? +44415 ATOM C CA . CYS AG 13 41 ? -35.014 22.545 -28.458 1.00 64.79 ? 44 CYS o CA 1 ? ? +44416 ATOM C CB . CYS AG 13 41 ? -35.800 22.452 -27.152 1.00 65.25 ? 44 CYS o CB 1 ? ? +44417 ATOM S SG . CYS AG 13 41 ? -34.977 21.500 -25.843 1.00 64.50 ? 44 CYS o SG 1 ? ? +44418 ATOM C C . CYS AG 13 41 ? -34.946 21.203 -29.180 1.00 64.21 ? 44 CYS o C 1 ? ? +44419 ATOM O O . CYS AG 13 41 ? -35.954 20.735 -29.704 1.00 64.57 ? 44 CYS o O 1 ? ? +44420 ATOM N N . LEU AG 13 42 ? -33.746 20.613 -29.229 1.00 63.11 ? 45 LEU o N 1 ? ? +44421 ATOM C CA . LEU AG 13 42 ? -33.545 19.306 -29.825 1.00 62.63 ? 45 LEU o CA 1 ? ? +44422 ATOM C CB . LEU AG 13 42 ? -32.642 19.392 -31.057 1.00 62.30 ? 45 LEU o CB 1 ? ? +44423 ATOM C CG . LEU AG 13 42 ? -33.232 20.049 -32.275 1.00 62.95 ? 45 LEU o CG 1 ? ? +44424 ATOM C CD1 . LEU AG 13 42 ? -33.068 21.518 -32.205 1.00 63.36 ? 45 LEU o CD1 1 ? ? +44425 ATOM C CD2 . LEU AG 13 42 ? -32.597 19.519 -33.539 1.00 62.57 ? 45 LEU o CD2 1 ? ? +44426 ATOM C C . LEU AG 13 42 ? -32.905 18.368 -28.804 1.00 61.90 ? 45 LEU o C 1 ? ? +44427 ATOM O O . LEU AG 13 42 ? -31.842 18.660 -28.269 1.00 61.13 ? 45 LEU o O 1 ? ? +44428 ATOM N N . GLN AG 13 43 ? -33.574 17.239 -28.557 1.00 62.03 ? 46 GLN o N 1 ? ? +44429 ATOM C CA . GLN AG 13 43 ? -33.140 16.250 -27.592 1.00 61.39 ? 46 GLN o CA 1 ? ? +44430 ATOM C CB . GLN AG 13 43 ? -34.215 16.074 -26.525 1.00 62.07 ? 46 GLN o CB 1 ? ? +44431 ATOM C CG . GLN AG 13 43 ? -33.966 14.942 -25.544 1.00 61.68 ? 46 GLN o CG 1 ? ? +44432 ATOM C CD . GLN AG 13 43 ? -35.195 14.710 -24.723 1.00 62.35 ? 46 GLN o CD 1 ? ? +44433 ATOM O OE1 . GLN AG 13 43 ? -35.966 15.617 -24.456 1.00 63.17 ? 46 GLN o OE1 1 ? ? +44434 ATOM N NE2 . GLN AG 13 43 ? -35.397 13.510 -24.274 1.00 62.23 ? 46 GLN o NE2 1 ? ? +44435 ATOM C C . GLN AG 13 43 ? -32.877 14.937 -28.319 1.00 60.93 ? 46 GLN o C 1 ? ? +44436 ATOM O O . GLN AG 13 43 ? -33.804 14.268 -28.758 1.00 61.25 ? 46 GLN o O 1 ? ? +44437 ATOM N N . PRO AG 13 44 ? -31.602 14.523 -28.480 1.00 60.20 ? 47 PRO o N 1 ? ? +44438 ATOM C CA . PRO AG 13 44 ? -31.296 13.257 -29.141 1.00 59.84 ? 47 PRO o CA 1 ? ? +44439 ATOM C CB . PRO AG 13 44 ? -29.776 13.317 -29.335 1.00 58.96 ? 47 PRO o CB 1 ? ? +44440 ATOM C CG . PRO AG 13 44 ? -29.314 14.262 -28.295 1.00 58.78 ? 47 PRO o CG 1 ? ? +44441 ATOM C CD . PRO AG 13 44 ? -30.398 15.244 -28.036 1.00 59.59 ? 47 PRO o CD 1 ? ? +44442 ATOM C C . PRO AG 13 44 ? -31.730 12.111 -28.238 1.00 59.96 ? 47 PRO o C 1 ? ? +44443 ATOM O O . PRO AG 13 44 ? -31.663 12.241 -27.022 1.00 59.94 ? 47 PRO o O 1 ? ? +44444 ATOM N N . THR AG 13 45 ? -32.215 11.018 -28.837 1.00 60.26 ? 48 THR o N 1 ? ? +44445 ATOM C CA . THR AG 13 45 ? -32.545 9.821 -28.084 1.00 60.31 ? 48 THR o CA 1 ? ? +44446 ATOM C CB . THR AG 13 45 ? -34.031 9.461 -28.174 1.00 61.02 ? 48 THR o CB 1 ? ? +44447 ATOM O OG1 . THR AG 13 45 ? -34.317 9.089 -29.517 1.00 61.31 ? 48 THR o OG1 1 ? ? +44448 ATOM C CG2 . THR AG 13 45 ? -34.915 10.573 -27.735 1.00 61.65 ? 48 THR o CG2 1 ? ? +44449 ATOM C C . THR AG 13 45 ? -31.741 8.624 -28.559 1.00 59.93 ? 48 THR o C 1 ? ? +44450 ATOM O O . THR AG 13 45 ? -31.584 7.668 -27.815 1.00 60.17 ? 48 THR o O 1 ? ? +44451 ATOM N N . THR AG 13 46 ? -31.268 8.656 -29.807 1.00 60.05 ? 49 THR o N 1 ? ? +44452 ATOM C CA . THR AG 13 46 ? -30.477 7.560 -30.352 1.00 59.51 ? 49 THR o CA 1 ? ? +44453 ATOM C CB . THR AG 13 46 ? -31.418 6.652 -31.144 1.00 59.94 ? 49 THR o CB 1 ? ? +44454 ATOM O OG1 . THR AG 13 46 ? -32.606 6.480 -30.349 1.00 60.65 ? 49 THR o OG1 1 ? ? +44455 ATOM C CG2 . THR AG 13 46 ? -30.796 5.334 -31.508 1.00 59.32 ? 49 THR o CG2 1 ? ? +44456 ATOM C C . THR AG 13 46 ? -29.343 8.090 -31.224 1.00 59.07 ? 49 THR o C 1 ? ? +44457 ATOM O O . THR AG 13 46 ? -29.536 9.032 -31.990 1.00 59.32 ? 49 THR o O 1 ? ? +44458 ATOM N N . PHE AG 13 47 ? -28.165 7.473 -31.104 1.00 58.66 ? 50 PHE o N 1 ? ? +44459 ATOM C CA . PHE AG 13 47 ? -27.032 7.803 -31.952 1.00 58.32 ? 50 PHE o CA 1 ? ? +44460 ATOM C CB . PHE AG 13 47 ? -25.843 8.320 -31.133 1.00 57.53 ? 50 PHE o CB 1 ? ? +44461 ATOM C CG . PHE AG 13 47 ? -26.082 9.626 -30.417 1.00 57.61 ? 50 PHE o CG 1 ? ? +44462 ATOM C CD1 . PHE AG 13 47 ? -26.632 9.649 -29.152 1.00 57.59 ? 50 PHE o CD1 1 ? ? +44463 ATOM C CD2 . PHE AG 13 47 ? -25.794 10.834 -31.027 1.00 57.71 ? 50 PHE o CD2 1 ? ? +44464 ATOM C CE1 . PHE AG 13 47 ? -26.846 10.854 -28.493 1.00 57.73 ? 50 PHE o CE1 1 ? ? +44465 ATOM C CE2 . PHE AG 13 47 ? -26.045 12.038 -30.375 1.00 57.89 ? 50 PHE o CE2 1 ? ? +44466 ATOM C CZ . PHE AG 13 47 ? -26.553 12.038 -29.109 1.00 57.90 ? 50 PHE o CZ 1 ? ? +44467 ATOM C C . PHE AG 13 47 ? -26.641 6.549 -32.722 1.00 58.65 ? 50 PHE o C 1 ? ? +44468 ATOM O O . PHE AG 13 47 ? -26.324 5.529 -32.119 1.00 58.64 ? 50 PHE o O 1 ? ? +44469 ATOM N N . LEU AG 13 48 ? -26.662 6.635 -34.055 1.00 59.64 ? 51 LEU o N 1 ? ? +44470 ATOM C CA . LEU AG 13 48 ? -26.290 5.518 -34.905 1.00 60.28 ? 51 LEU o CA 1 ? ? +44471 ATOM C CB . LEU AG 13 48 ? -27.444 5.159 -35.859 1.00 60.97 ? 51 LEU o CB 1 ? ? +44472 ATOM C CG . LEU AG 13 48 ? -28.778 4.864 -35.178 1.00 61.73 ? 51 LEU o CG 1 ? ? +44473 ATOM C CD1 . LEU AG 13 48 ? -29.917 4.873 -36.153 1.00 62.76 ? 51 LEU o CD1 1 ? ? +44474 ATOM C CD2 . LEU AG 13 48 ? -28.746 3.551 -34.466 1.00 61.30 ? 51 LEU o CD2 1 ? ? +44475 ATOM C C . LEU AG 13 48 ? -25.044 5.908 -35.692 1.00 60.81 ? 51 LEU o C 1 ? ? +44476 ATOM O O . LEU AG 13 48 ? -24.956 7.022 -36.203 1.00 61.37 ? 51 LEU o O 1 ? ? +44477 ATOM N N . VAL AG 13 49 ? -24.088 4.982 -35.775 1.00 61.46 ? 52 VAL o N 1 ? ? +44478 ATOM C CA . VAL AG 13 49 ? -22.891 5.178 -36.568 1.00 62.65 ? 52 VAL o CA 1 ? ? +44479 ATOM C CB . VAL AG 13 49 ? -21.628 5.041 -35.694 1.00 61.94 ? 52 VAL o CB 1 ? ? +44480 ATOM C CG1 . VAL AG 13 49 ? -20.360 5.065 -36.541 1.00 61.66 ? 52 VAL o CG1 1 ? ? +44481 ATOM C CG2 . VAL AG 13 49 ? -21.583 6.122 -34.617 1.00 61.85 ? 52 VAL o CG2 1 ? ? +44482 ATOM C C . VAL AG 13 49 ? -22.890 4.180 -37.721 1.00 64.90 ? 52 VAL o C 1 ? ? +44483 ATOM O O . VAL AG 13 49 ? -23.141 2.997 -37.512 1.00 63.69 ? 52 VAL o O 1 ? ? +44484 ATOM N N . LYS AG 13 50 ? -22.605 4.679 -38.932 1.00 69.07 ? 53 LYS o N 1 ? ? +44485 ATOM C CA . LYS AG 13 50 ? -22.430 3.838 -40.104 1.00 73.43 ? 53 LYS o CA 1 ? ? +44486 ATOM C CB . LYS AG 13 50 ? -22.518 4.669 -41.387 1.00 75.35 ? 53 LYS o CB 1 ? ? +44487 ATOM C CG . LYS AG 13 50 ? -22.331 3.847 -42.654 1.00 77.93 ? 53 LYS o CG 1 ? ? +44488 ATOM C CD . LYS AG 13 50 ? -22.431 4.659 -43.948 1.00 80.33 ? 53 LYS o CD 1 ? ? +44489 ATOM C CE . LYS AG 13 50 ? -23.849 4.965 -44.325 1.00 83.53 ? 53 LYS o CE 1 ? ? +44490 ATOM N NZ . LYS AG 13 50 ? -23.971 5.224 -45.788 1.00 86.36 ? 53 LYS o NZ 1 ? ? +44491 ATOM C C . LYS AG 13 50 ? -21.082 3.124 -40.038 1.00 78.17 ? 53 LYS o C 1 ? ? +44492 ATOM O O . LYS AG 13 50 ? -20.054 3.760 -39.832 1.00 76.63 ? 53 LYS o O 1 ? ? +44493 ATOM N N . GLU AG 13 51 ? -21.096 1.796 -40.186 1.00 87.25 ? 54 GLU o N 1 ? ? +44494 ATOM C CA . GLU AG 13 51 ? -19.857 1.034 -40.218 1.00 95.18 ? 54 GLU o CA 1 ? ? +44495 ATOM C CB . GLU AG 13 51 ? -20.003 -0.336 -39.514 1.00 98.22 ? 54 GLU o CB 1 ? ? +44496 ATOM C CG . GLU AG 13 51 ? -21.019 -1.299 -40.103 1.00 103.43 ? 54 GLU o CG 1 ? ? +44497 ATOM C CD . GLU AG 13 51 ? -21.207 -2.595 -39.312 1.00 107.97 ? 54 GLU o CD 1 ? ? +44498 ATOM O OE1 . GLU AG 13 51 ? -20.425 -2.849 -38.365 1.00 104.01 ? 54 GLU o OE1 1 ? ? +44499 ATOM O OE2 . GLU AG 13 51 ? -22.159 -3.348 -39.635 1.00 111.33 ? 54 GLU o OE2 1 ? ? +44500 ATOM C C . GLU AG 13 51 ? -19.393 0.900 -41.667 1.00 102.26 ? 54 GLU o C 1 ? ? +44501 ATOM O O . GLU AG 13 51 ? -20.225 0.803 -42.568 1.00 105.18 ? 54 GLU o O 1 ? ? +44502 ATOM N N . GLU AG 13 52 ? -18.062 0.928 -41.858 1.00 108.65 ? 55 GLU o N 1 ? ? +44503 ATOM C CA . GLU AG 13 52 ? -17.417 0.736 -43.148 1.00 116.18 ? 55 GLU o CA 1 ? ? +44504 ATOM C CB . GLU AG 13 52 ? -15.990 1.338 -43.138 1.00 121.46 ? 55 GLU o CB 1 ? ? +44505 ATOM C CG . GLU AG 13 52 ? -15.900 2.833 -43.358 1.00 126.52 ? 55 GLU o CG 1 ? ? +44506 ATOM C CD . GLU AG 13 52 ? -16.186 3.698 -42.148 1.00 128.07 ? 55 GLU o CD 1 ? ? +44507 ATOM O OE1 . GLU AG 13 52 ? -16.844 3.222 -41.193 1.00 132.08 ? 55 GLU o OE1 1 ? ? +44508 ATOM O OE2 . GLU AG 13 52 ? -15.721 4.860 -42.151 1.00 121.70 ? 55 GLU o OE2 1 ? ? +44509 ATOM C C . GLU AG 13 52 ? -17.263 -0.734 -43.541 1.00 117.50 ? 55 GLU o C 1 ? ? +44510 ATOM O O . GLU AG 13 52 ? -16.565 -1.479 -42.856 1.00 110.59 ? 55 GLU o O 1 ? ? +44511 ATOM N N . PRO AG 13 53 ? -17.879 -1.201 -44.653 1.00 125.89 ? 56 PRO o N 1 ? ? +44512 ATOM C CA . PRO AG 13 53 ? -17.592 -2.541 -45.177 1.00 127.93 ? 56 PRO o CA 1 ? ? +44513 ATOM C CB . PRO AG 13 53 ? -18.649 -2.736 -46.275 1.00 128.36 ? 56 PRO o CB 1 ? ? +44514 ATOM C CG . PRO AG 13 53 ? -19.031 -1.324 -46.682 1.00 130.10 ? 56 PRO o CG 1 ? ? +44515 ATOM C CD . PRO AG 13 53 ? -18.889 -0.477 -45.447 1.00 129.45 ? 56 PRO o CD 1 ? ? +44516 ATOM C C . PRO AG 13 53 ? -16.165 -2.647 -45.715 1.00 130.16 ? 56 PRO o C 1 ? ? +44517 ATOM O O . PRO AG 13 53 ? -15.559 -1.647 -46.099 1.00 129.71 ? 56 PRO o O 1 ? ? +44518 ATOM N N . LYS AG 13 54 ? -15.633 -3.875 -45.720 1.00 132.84 ? 57 LYS o N 1 ? ? +44519 ATOM C CA . LYS AG 13 54 ? -14.290 -4.138 -46.217 1.00 132.06 ? 57 LYS o CA 1 ? ? +44520 ATOM C CB . LYS AG 13 54 ? -13.754 -5.473 -45.655 1.00 126.87 ? 57 LYS o CB 1 ? ? +44521 ATOM C CG . LYS AG 13 54 ? -13.460 -5.429 -44.164 1.00 120.81 ? 57 LYS o CG 1 ? ? +44522 ATOM C CD . LYS AG 13 54 ? -13.158 -6.798 -43.586 1.00 117.37 ? 57 LYS o CD 1 ? ? +44523 ATOM C CE . LYS AG 13 54 ? -11.688 -7.147 -43.560 1.00 113.80 ? 57 LYS o CE 1 ? ? +44524 ATOM N NZ . LYS AG 13 54 ? -11.461 -8.523 -43.007 1.00 109.30 ? 57 LYS o NZ 1 ? ? +44525 ATOM C C . LYS AG 13 54 ? -14.247 -4.149 -47.745 1.00 137.71 ? 57 LYS o C 1 ? ? +44526 ATOM O O . LYS AG 13 54 ? -13.286 -3.655 -48.331 1.00 138.86 ? 57 LYS o O 1 ? ? +44527 ATOM N N . ASN AG 13 55 ? -15.306 -4.685 -48.371 1.00 141.17 ? 58 ASN o N 1 ? ? +44528 ATOM C CA . ASN AG 13 55 ? -15.366 -4.899 -49.808 1.00 143.18 ? 58 ASN o CA 1 ? ? +44529 ATOM C CB . ASN AG 13 55 ? -16.371 -6.030 -50.131 1.00 141.96 ? 58 ASN o CB 1 ? ? +44530 ATOM C CG . ASN AG 13 55 ? -16.323 -7.213 -49.198 1.00 138.93 ? 58 ASN o CG 1 ? ? +44531 ATOM O OD1 . ASN AG 13 55 ? -15.341 -7.960 -49.141 1.00 124.56 ? 58 ASN o OD1 1 ? ? +44532 ATOM N ND2 . ASN AG 13 55 ? -17.389 -7.388 -48.430 1.00 142.33 ? 58 ASN o ND2 1 ? ? +44533 ATOM C C . ASN AG 13 55 ? -15.781 -3.655 -50.593 1.00 149.75 ? 58 ASN o C 1 ? ? +44534 ATOM O O . ASN AG 13 55 ? -15.566 -3.606 -51.804 1.00 152.63 ? 58 ASN o O 1 ? ? +44535 ATOM N N . LYS AG 13 56 ? -16.402 -2.687 -49.898 1.00 152.09 ? 59 LYS o N 1 ? ? +44536 ATOM C CA . LYS AG 13 56 ? -16.967 -1.487 -50.500 1.00 150.46 ? 59 LYS o CA 1 ? ? +44537 ATOM C CB . LYS AG 13 56 ? -15.978 -0.789 -51.470 1.00 147.12 ? 59 LYS o CB 1 ? ? +44538 ATOM C CG . LYS AG 13 56 ? -14.775 -0.118 -50.796 1.00 144.15 ? 59 LYS o CG 1 ? ? +44539 ATOM C CD . LYS AG 13 56 ? -15.059 1.321 -50.314 1.00 142.40 ? 59 LYS o CD 1 ? ? +44540 ATOM C CE . LYS AG 13 56 ? -15.493 2.249 -51.432 1.00 141.74 ? 59 LYS o CE 1 ? ? +44541 ATOM N NZ . LYS AG 13 56 ? -15.788 3.613 -50.935 1.00 140.90 ? 59 LYS o NZ 1 ? ? +44542 ATOM C C . LYS AG 13 56 ? -18.286 -1.730 -51.235 1.00 151.83 ? 59 LYS o C 1 ? ? +44543 ATOM O O . LYS AG 13 56 ? -19.168 -0.874 -51.192 1.00 153.97 ? 59 LYS o O 1 ? ? +44544 ATOM N N . ARG AG 13 57 ? -18.405 -2.873 -51.924 1.00 150.65 ? 60 ARG o N 1 ? ? +44545 ATOM C CA . ARG AG 13 57 ? -19.565 -3.148 -52.763 1.00 149.94 ? 60 ARG o CA 1 ? ? +44546 ATOM C CB . ARG AG 13 57 ? -19.194 -4.087 -53.936 1.00 150.50 ? 60 ARG o CB 1 ? ? +44547 ATOM C CG . ARG AG 13 57 ? -18.026 -3.575 -54.819 1.00 151.94 ? 60 ARG o CG 1 ? ? +44548 ATOM C CD . ARG AG 13 57 ? -18.206 -3.829 -56.316 1.00 152.38 ? 60 ARG o CD 1 ? ? +44549 ATOM N NE . ARG AG 13 57 ? -18.613 -5.196 -56.624 1.00 153.88 ? 60 ARG o NE 1 ? ? +44550 ATOM C CZ . ARG AG 13 57 ? -19.017 -5.611 -57.820 1.00 152.08 ? 60 ARG o CZ 1 ? ? +44551 ATOM N NH1 . ARG AG 13 57 ? -18.839 -4.877 -58.906 1.00 154.99 ? 60 ARG o NH1 1 ? ? +44552 ATOM N NH2 . ARG AG 13 57 ? -19.609 -6.798 -57.929 1.00 147.88 ? 60 ARG o NH2 1 ? ? +44553 ATOM C C . ARG AG 13 57 ? -20.727 -3.721 -51.951 1.00 145.92 ? 60 ARG o C 1 ? ? +44554 ATOM O O . ARG AG 13 57 ? -21.858 -3.752 -52.430 1.00 138.43 ? 60 ARG o O 1 ? ? +44555 ATOM N N . GLN AG 13 58 ? -20.434 -4.167 -50.721 1.00 145.47 ? 61 GLN o N 1 ? ? +44556 ATOM C CA . GLN AG 13 58 ? -21.463 -4.458 -49.735 1.00 144.77 ? 61 GLN o CA 1 ? ? +44557 ATOM C CB . GLN AG 13 58 ? -20.885 -5.299 -48.576 1.00 142.77 ? 61 GLN o CB 1 ? ? +44558 ATOM C CG . GLN AG 13 58 ? -20.323 -6.644 -49.032 1.00 141.41 ? 61 GLN o CG 1 ? ? +44559 ATOM C CD . GLN AG 13 58 ? -21.365 -7.508 -49.691 1.00 142.65 ? 61 GLN o CD 1 ? ? +44560 ATOM O OE1 . GLN AG 13 58 ? -21.323 -7.758 -50.899 1.00 143.39 ? 61 GLN o OE1 1 ? ? +44561 ATOM N NE2 . GLN AG 13 58 ? -22.332 -7.975 -48.915 1.00 140.47 ? 61 GLN o NE2 1 ? ? +44562 ATOM C C . GLN AG 13 58 ? -22.048 -3.145 -49.217 1.00 143.20 ? 61 GLN o C 1 ? ? +44563 ATOM O O . GLN AG 13 58 ? -21.321 -2.174 -49.020 1.00 142.14 ? 61 GLN o O 1 ? ? +44564 ATOM N N . GLU AG 13 59 ? -23.373 -3.128 -49.017 1.00 139.10 ? 62 GLU o N 1 ? ? +44565 ATOM C CA . GLU AG 13 59 ? -24.082 -1.990 -48.446 1.00 132.91 ? 62 GLU o CA 1 ? ? +44566 ATOM C CB . GLU AG 13 59 ? -25.613 -2.181 -48.667 1.00 127.02 ? 62 GLU o CB 1 ? ? +44567 ATOM C CG . GLU AG 13 59 ? -26.557 -1.482 -47.691 1.00 124.85 ? 62 GLU o CG 1 ? ? +44568 ATOM C CD . GLU AG 13 59 ? -28.033 -1.653 -48.024 1.00 122.42 ? 62 GLU o CD 1 ? ? +44569 ATOM O OE1 . GLU AG 13 59 ? -28.476 -1.137 -49.076 1.00 119.93 ? 62 GLU o OE1 1 ? ? +44570 ATOM O OE2 . GLU AG 13 59 ? -28.747 -2.313 -47.236 1.00 118.03 ? 62 GLU o OE2 1 ? ? +44571 ATOM C C . GLU AG 13 59 ? -23.714 -1.832 -46.970 1.00 130.96 ? 62 GLU o C 1 ? ? +44572 ATOM O O . GLU AG 13 59 ? -23.730 -2.804 -46.217 1.00 132.83 ? 62 GLU o O 1 ? ? +44573 ATOM N N . ALA AG 13 60 ? -23.384 -0.598 -46.566 1.00 125.13 ? 63 ALA o N 1 ? ? +44574 ATOM C CA . ALA AG 13 60 ? -23.047 -0.281 -45.186 1.00 118.06 ? 63 ALA o CA 1 ? ? +44575 ATOM C CB . ALA AG 13 60 ? -22.232 1.000 -45.151 1.00 116.44 ? 63 ALA o CB 1 ? ? +44576 ATOM C C . ALA AG 13 60 ? -24.299 -0.137 -44.319 1.00 113.62 ? 63 ALA o C 1 ? ? +44577 ATOM O O . ALA AG 13 60 ? -25.361 0.233 -44.815 1.00 110.03 ? 63 ALA o O 1 ? ? +44578 ATOM N N . GLU AG 13 61 ? -24.149 -0.413 -43.018 1.00 108.19 ? 64 GLU o N 1 ? ? +44579 ATOM C CA . GLU AG 13 61 ? -25.247 -0.335 -42.065 1.00 101.47 ? 64 GLU o CA 1 ? ? +44580 ATOM C CB . GLU AG 13 61 ? -25.483 -1.688 -41.411 1.00 107.55 ? 64 GLU o CB 1 ? ? +44581 ATOM C CG . GLU AG 13 61 ? -25.968 -2.803 -42.317 1.00 113.00 ? 64 GLU o CG 1 ? ? +44582 ATOM C CD . GLU AG 13 61 ? -25.870 -4.160 -41.646 1.00 116.02 ? 64 GLU o CD 1 ? ? +44583 ATOM O OE1 . GLU AG 13 61 ? -24.747 -4.517 -41.213 1.00 112.40 ? 64 GLU o OE1 1 ? ? +44584 ATOM O OE2 . GLU AG 13 61 ? -26.909 -4.859 -41.542 1.00 113.44 ? 64 GLU o OE2 1 ? ? +44585 ATOM C C . GLU AG 13 61 ? -24.949 0.640 -40.931 1.00 90.49 ? 64 GLU o C 1 ? ? +44586 ATOM O O . GLU AG 13 61 ? -23.789 0.797 -40.554 1.00 85.69 ? 64 GLU o O 1 ? ? +44587 ATOM N N . PHE AG 13 62 ? -26.013 1.234 -40.376 1.00 82.93 ? 65 PHE o N 1 ? ? +44588 ATOM C CA . PHE AG 13 62 ? -25.927 2.017 -39.156 1.00 78.96 ? 65 PHE o CA 1 ? ? +44589 ATOM C CB . PHE AG 13 62 ? -26.956 3.136 -39.186 1.00 78.17 ? 65 PHE o CB 1 ? ? +44590 ATOM C CG . PHE AG 13 62 ? -26.587 4.271 -40.100 1.00 78.46 ? 65 PHE o CG 1 ? ? +44591 ATOM C CD1 . PHE AG 13 62 ? -25.683 5.238 -39.698 1.00 78.16 ? 65 PHE o CD1 1 ? ? +44592 ATOM C CD2 . PHE AG 13 62 ? -27.156 4.385 -41.356 1.00 79.87 ? 65 PHE o CD2 1 ? ? +44593 ATOM C CE1 . PHE AG 13 62 ? -25.355 6.297 -40.537 1.00 78.91 ? 65 PHE o CE1 1 ? ? +44594 ATOM C CE2 . PHE AG 13 62 ? -26.824 5.443 -42.195 1.00 80.18 ? 65 PHE o CE2 1 ? ? +44595 ATOM C CZ . PHE AG 13 62 ? -25.931 6.395 -41.781 1.00 80.44 ? 65 PHE o CZ 1 ? ? +44596 ATOM C C . PHE AG 13 62 ? -26.137 1.131 -37.931 1.00 76.67 ? 65 PHE o C 1 ? ? +44597 ATOM O O . PHE AG 13 62 ? -27.148 0.450 -37.842 1.00 79.29 ? 65 PHE o O 1 ? ? +44598 ATOM N N . VAL AG 13 63 ? -25.180 1.149 -36.996 1.00 74.42 ? 66 VAL o N 1 ? ? +44599 ATOM C CA . VAL AG 13 63 ? -25.225 0.321 -35.801 1.00 72.67 ? 66 VAL o CA 1 ? ? +44600 ATOM C CB . VAL AG 13 63 ? -23.905 -0.418 -35.540 1.00 72.02 ? 66 VAL o CB 1 ? ? +44601 ATOM C CG1 . VAL AG 13 63 ? -23.580 -1.377 -36.675 1.00 72.22 ? 66 VAL o CG1 1 ? ? +44602 ATOM C CG2 . VAL AG 13 63 ? -22.748 0.550 -35.311 1.00 72.00 ? 66 VAL o CG2 1 ? ? +44603 ATOM C C . VAL AG 13 63 ? -25.561 1.188 -34.596 1.00 72.37 ? 66 VAL o C 1 ? ? +44604 ATOM O O . VAL AG 13 63 ? -25.232 2.374 -34.584 1.00 71.01 ? 66 VAL o O 1 ? ? +44605 ATOM N N . PRO AG 13 64 ? -26.215 0.625 -33.548 1.00 73.17 ? 67 PRO o N 1 ? ? +44606 ATOM C CA . PRO AG 13 64 ? -26.533 1.384 -32.335 1.00 70.87 ? 67 PRO o CA 1 ? ? +44607 ATOM C CB . PRO AG 13 64 ? -27.598 0.520 -31.644 1.00 72.20 ? 67 PRO o CB 1 ? ? +44608 ATOM C CG . PRO AG 13 64 ? -27.219 -0.895 -32.038 1.00 72.74 ? 67 PRO o CG 1 ? ? +44609 ATOM C CD . PRO AG 13 64 ? -26.691 -0.770 -33.474 1.00 73.88 ? 67 PRO o CD 1 ? ? +44610 ATOM C C . PRO AG 13 64 ? -25.269 1.554 -31.501 1.00 65.90 ? 67 PRO o C 1 ? ? +44611 ATOM O O . PRO AG 13 64 ? -24.354 0.752 -31.618 1.00 64.88 ? 67 PRO o O 1 ? ? +44612 ATOM N N . THR AG 13 65 ? -25.235 2.608 -30.680 1.00 63.21 ? 68 THR o N 1 ? ? +44613 ATOM C CA . THR AG 13 65 ? -24.088 2.922 -29.843 1.00 60.61 ? 68 THR o CA 1 ? ? +44614 ATOM C CB . THR AG 13 65 ? -23.295 4.084 -30.424 1.00 59.92 ? 68 THR o CB 1 ? ? +44615 ATOM O OG1 . THR AG 13 65 ? -24.134 5.241 -30.544 1.00 59.77 ? 68 THR o OG1 1 ? ? +44616 ATOM C CG2 . THR AG 13 65 ? -22.710 3.756 -31.782 1.00 59.88 ? 68 THR o CG2 1 ? ? +44617 ATOM C C . THR AG 13 65 ? -24.564 3.238 -28.433 1.00 59.91 ? 68 THR o C 1 ? ? +44618 ATOM O O . THR AG 13 65 ? -25.748 3.483 -28.224 1.00 60.97 ? 68 THR o O 1 ? ? +44619 ATOM N N . LYS AG 13 66 ? -23.632 3.235 -27.482 1.00 58.46 ? 69 LYS o N 1 ? ? +44620 ATOM C CA . LYS AG 13 66 ? -23.912 3.600 -26.105 1.00 58.02 ? 69 LYS o CA 1 ? ? +44621 ATOM C CB . LYS AG 13 66 ? -23.278 2.618 -25.154 1.00 58.70 ? 69 LYS o CB 1 ? ? +44622 ATOM C CG . LYS AG 13 66 ? -24.138 1.508 -24.722 1.00 60.35 ? 69 LYS o CG 1 ? ? +44623 ATOM C CD . LYS AG 13 66 ? -23.261 0.359 -24.271 1.00 61.37 ? 69 LYS o CD 1 ? ? +44624 ATOM C CE . LYS AG 13 66 ? -23.903 -0.449 -23.172 1.00 63.12 ? 69 LYS o CE 1 ? ? +44625 ATOM N NZ . LYS AG 13 66 ? -23.123 -1.690 -22.885 1.00 63.56 ? 69 LYS o NZ 1 ? ? +44626 ATOM C C . LYS AG 13 66 ? -23.346 4.977 -25.786 1.00 56.40 ? 69 LYS o C 1 ? ? +44627 ATOM O O . LYS AG 13 66 ? -22.193 5.249 -26.077 1.00 56.36 ? 69 LYS o O 1 ? ? +44628 ATOM N N . LEU AG 13 67 ? -24.154 5.821 -25.154 1.00 55.65 ? 70 LEU o N 1 ? ? +44629 ATOM C CA . LEU AG 13 67 ? -23.742 7.140 -24.718 1.00 54.65 ? 70 LEU o CA 1 ? ? +44630 ATOM C CB . LEU AG 13 67 ? -25.002 7.989 -24.486 1.00 55.24 ? 70 LEU o CB 1 ? ? +44631 ATOM C CG . LEU AG 13 67 ? -24.781 9.401 -24.002 1.00 55.32 ? 70 LEU o CG 1 ? ? +44632 ATOM C CD1 . LEU AG 13 67 ? -23.990 10.257 -25.036 1.00 55.08 ? 70 LEU o CD1 1 ? ? +44633 ATOM C CD2 . LEU AG 13 67 ? -26.101 10.052 -23.692 1.00 55.95 ? 70 LEU o CD2 1 ? ? +44634 ATOM C C . LEU AG 13 67 ? -22.925 7.051 -23.432 1.00 53.46 ? 70 LEU o C 1 ? ? +44635 ATOM O O . LEU AG 13 67 ? -23.411 6.527 -22.430 1.00 53.37 ? 70 LEU o O 1 ? ? +44636 ATOM N N . VAL AG 13 68 ? -21.702 7.603 -23.457 1.00 52.24 ? 71 VAL o N 1 ? ? +44637 ATOM C CA . VAL AG 13 68 ? -20.844 7.568 -22.283 1.00 51.43 ? 71 VAL o CA 1 ? ? +44638 ATOM C CB . VAL AG 13 68 ? -19.484 6.870 -22.588 1.00 50.60 ? 71 VAL o CB 1 ? ? +44639 ATOM C CG1 . VAL AG 13 68 ? -19.717 5.426 -22.991 1.00 50.45 ? 71 VAL o CG1 1 ? ? +44640 ATOM C CG2 . VAL AG 13 68 ? -18.678 7.608 -23.650 1.00 50.33 ? 71 VAL o CG2 1 ? ? +44641 ATOM C C . VAL AG 13 68 ? -20.626 8.934 -21.638 1.00 51.27 ? 71 VAL o C 1 ? ? +44642 ATOM O O . VAL AG 13 68 ? -19.998 9.013 -20.587 1.00 51.00 ? 71 VAL o O 1 ? ? +44643 ATOM N N . THR AG 13 69 ? -21.155 10.004 -22.243 1.00 51.43 ? 72 THR o N 1 ? ? +44644 ATOM C CA . THR AG 13 69 ? -20.988 11.343 -21.693 1.00 51.50 ? 72 THR o CA 1 ? ? +44645 ATOM C CB . THR AG 13 69 ? -20.428 12.264 -22.789 1.00 51.44 ? 72 THR o CB 1 ? ? +44646 ATOM O OG1 . THR AG 13 69 ? -21.222 12.141 -23.942 1.00 51.78 ? 72 THR o OG1 1 ? ? +44647 ATOM C CG2 . THR AG 13 69 ? -18.988 11.931 -23.150 1.00 50.76 ? 72 THR o CG2 1 ? ? +44648 ATOM C C . THR AG 13 69 ? -22.217 11.944 -20.997 1.00 52.03 ? 72 THR o C 1 ? ? +44649 ATOM O O . THR AG 13 69 ? -22.277 13.154 -20.803 1.00 52.29 ? 72 THR o O 1 ? ? +44650 ATOM N N A ARG AG 13 70 ? -23.165 11.083 -20.608 0.40 52.25 ? 73 ARG o N 1 ? ? +44651 ATOM N N B ARG AG 13 70 ? -23.178 11.081 -20.632 0.60 52.22 ? 73 ARG o N 1 ? ? +44652 ATOM C CA A ARG AG 13 70 ? -24.251 11.442 -19.709 0.40 52.85 ? 73 ARG o CA 1 ? ? +44653 ATOM C CA B ARG AG 13 70 ? -24.260 11.415 -19.715 0.60 52.81 ? 73 ARG o CA 1 ? ? +44654 ATOM C C A ARG AG 13 70 ? -25.209 12.472 -20.307 0.40 53.53 ? 73 ARG o C 1 ? ? +44655 ATOM C C B ARG AG 13 70 ? -25.232 12.436 -20.310 0.60 53.52 ? 73 ARG o C 1 ? ? +44656 ATOM O O A ARG AG 13 70 ? -25.199 12.707 -21.511 0.40 53.58 ? 73 ARG o O 1 ? ? +44657 ATOM O O B ARG AG 13 70 ? -25.239 12.637 -21.521 0.60 53.55 ? 73 ARG o O 1 ? ? +44658 ATOM C CB A ARG AG 13 70 ? -23.662 11.903 -18.366 0.40 52.68 ? 73 ARG o CB 1 ? ? +44659 ATOM C CB B ARG AG 13 70 ? -23.681 11.869 -18.366 0.60 52.64 ? 73 ARG o CB 1 ? ? +44660 ATOM C CG A ARG AG 13 70 ? -22.676 10.888 -17.789 0.40 52.03 ? 73 ARG o CG 1 ? ? +44661 ATOM C CG B ARG AG 13 70 ? -22.674 10.866 -17.786 0.60 51.98 ? 73 ARG o CG 1 ? ? +44662 ATOM C CD A ARG AG 13 70 ? -22.112 11.306 -16.452 0.40 51.92 ? 73 ARG o CD 1 ? ? +44663 ATOM C CD B ARG AG 13 70 ? -22.128 11.288 -16.440 0.60 51.86 ? 73 ARG o CD 1 ? ? +44664 ATOM N NE A ARG AG 13 70 ? -23.107 11.239 -15.390 0.40 52.41 ? 73 ARG o NE 1 ? ? +44665 ATOM N NE B ARG AG 13 70 ? -23.125 11.199 -15.381 0.60 52.35 ? 73 ARG o NE 1 ? ? +44666 ATOM C CZ A ARG AG 13 70 ? -22.870 11.541 -14.121 0.40 52.48 ? 73 ARG o CZ 1 ? ? +44667 ATOM C CZ B ARG AG 13 70 ? -22.922 11.560 -14.120 0.60 52.45 ? 73 ARG o CZ 1 ? ? +44668 ATOM N NH1 A ARG AG 13 70 ? -21.697 12.012 -13.728 0.40 52.13 ? 73 ARG o NH1 1 ? ? +44669 ATOM N NH1 B ARG AG 13 70 ? -21.782 12.110 -13.728 0.60 52.14 ? 73 ARG o NH1 1 ? ? +44670 ATOM N NH2 A ARG AG 13 70 ? -23.831 11.360 -13.221 0.40 52.94 ? 73 ARG o NH2 1 ? ? +44671 ATOM N NH2 B ARG AG 13 70 ? -23.884 11.359 -13.227 0.60 52.90 ? 73 ARG o NH2 1 ? ? +44672 ATOM N N . GLU AG 13 71 ? -26.075 13.043 -19.462 1.00 54.14 ? 74 GLU o N 1 ? ? +44673 ATOM C CA . GLU AG 13 71 ? -27.172 13.892 -19.918 1.00 54.91 ? 74 GLU o CA 1 ? ? +44674 ATOM C CB . GLU AG 13 71 ? -28.282 13.929 -18.843 1.00 55.75 ? 74 GLU o CB 1 ? ? +44675 ATOM C CG . GLU AG 13 71 ? -29.002 12.604 -18.659 1.00 56.04 ? 74 GLU o CG 1 ? ? +44676 ATOM C CD . GLU AG 13 71 ? -29.682 12.181 -19.942 1.00 56.57 ? 74 GLU o CD 1 ? ? +44677 ATOM O OE1 . GLU AG 13 71 ? -30.623 12.893 -20.362 1.00 57.47 ? 74 GLU o OE1 1 ? ? +44678 ATOM O OE2 . GLU AG 13 71 ? -29.247 11.184 -20.566 1.00 56.42 ? 74 GLU o OE2 1 ? ? +44679 ATOM C C . GLU AG 13 71 ? -26.726 15.308 -20.285 1.00 54.86 ? 74 GLU o C 1 ? ? +44680 ATOM O O . GLU AG 13 71 ? -27.130 16.290 -19.666 1.00 55.15 ? 74 GLU o O 1 ? ? +44681 ATOM N N . THR AG 13 72 ? -25.930 15.396 -21.353 1.00 54.42 ? 75 THR o N 1 ? ? +44682 ATOM C CA . THR AG 13 72 ? -25.265 16.627 -21.750 1.00 54.34 ? 75 THR o CA 1 ? ? +44683 ATOM C CB . THR AG 13 72 ? -23.762 16.530 -21.416 1.00 53.53 ? 75 THR o CB 1 ? ? +44684 ATOM O OG1 . THR AG 13 72 ? -23.204 15.430 -22.113 1.00 52.96 ? 75 THR o OG1 1 ? ? +44685 ATOM C CG2 . THR AG 13 72 ? -23.519 16.366 -19.949 1.00 53.32 ? 75 THR o CG2 1 ? ? +44686 ATOM C C . THR AG 13 72 ? -25.474 16.885 -23.235 1.00 54.52 ? 75 THR o C 1 ? ? +44687 ATOM O O . THR AG 13 72 ? -24.719 17.631 -23.845 1.00 54.38 ? 75 THR o O 1 ? ? +44688 ATOM N N . THR AG 13 73 ? -26.528 16.289 -23.799 1.00 54.91 ? 76 THR o N 1 ? ? +44689 ATOM C CA . THR AG 13 73 ? -26.626 16.121 -25.238 1.00 54.99 ? 76 THR o CA 1 ? ? +44690 ATOM C CB . THR AG 13 73 ? -27.062 14.683 -25.536 1.00 54.81 ? 76 THR o CB 1 ? ? +44691 ATOM O OG1 . THR AG 13 73 ? -28.351 14.410 -24.940 1.00 55.33 ? 76 THR o OG1 1 ? ? +44692 ATOM C CG2 . THR AG 13 73 ? -26.045 13.669 -25.045 1.00 53.99 ? 76 THR o CG2 1 ? ? +44693 ATOM C C . THR AG 13 73 ? -27.543 17.099 -25.968 1.00 55.84 ? 76 THR o C 1 ? ? +44694 ATOM O O . THR AG 13 73 ? -27.414 17.270 -27.175 1.00 55.86 ? 76 THR o O 1 ? ? +44695 ATOM N N . SER AG 13 74 ? -28.466 17.745 -25.253 1.00 56.64 ? 77 SER o N 1 ? ? +44696 ATOM C CA . SER AG 13 74 ? -29.528 18.481 -25.920 1.00 57.62 ? 77 SER o CA 1 ? ? +44697 ATOM C CB . SER AG 13 74 ? -30.789 18.540 -25.063 1.00 58.27 ? 77 SER o CB 1 ? ? +44698 ATOM O OG . SER AG 13 74 ? -31.255 17.225 -24.832 1.00 58.17 ? 77 SER o OG 1 ? ? +44699 ATOM C C . SER AG 13 74 ? -29.116 19.894 -26.312 1.00 58.01 ? 77 SER o C 1 ? ? +44700 ATOM O O . SER AG 13 74 ? -28.363 20.540 -25.597 1.00 57.71 ? 77 SER o O 1 ? ? +44701 ATOM N N . LEU AG 13 75 ? -29.648 20.339 -27.456 1.00 58.76 ? 78 LEU o N 1 ? ? +44702 ATOM C CA . LEU AG 13 75 ? -29.534 21.706 -27.929 1.00 59.38 ? 78 LEU o CA 1 ? ? +44703 ATOM C CB . LEU AG 13 75 ? -29.328 21.697 -29.455 1.00 59.34 ? 78 LEU o CB 1 ? ? +44704 ATOM C CG . LEU AG 13 75 ? -28.312 20.693 -29.985 1.00 58.49 ? 78 LEU o CG 1 ? ? +44705 ATOM C CD1 . LEU AG 13 75 ? -28.197 20.780 -31.473 1.00 58.63 ? 78 LEU o CD1 1 ? ? +44706 ATOM C CD2 . LEU AG 13 75 ? -26.962 20.892 -29.343 1.00 57.76 ? 78 LEU o CD2 1 ? ? +44707 ATOM C C . LEU AG 13 75 ? -30.811 22.455 -27.540 1.00 60.63 ? 78 LEU o C 1 ? ? +44708 ATOM O O . LEU AG 13 75 ? -31.897 21.888 -27.549 1.00 60.94 ? 78 LEU o O 1 ? ? +44709 ATOM N N . ASP AG 13 76 ? -30.667 23.729 -27.170 1.00 61.35 ? 79 ASP o N 1 ? ? +44710 ATOM C CA . ASP AG 13 76 ? -31.769 24.470 -26.595 1.00 62.55 ? 79 ASP o CA 1 ? ? +44711 ATOM C CB . ASP AG 13 76 ? -32.079 23.967 -25.165 1.00 62.43 ? 79 ASP o CB 1 ? ? +44712 ATOM C CG . ASP AG 13 76 ? -33.449 24.392 -24.640 1.00 63.24 ? 79 ASP o CG 1 ? ? +44713 ATOM O OD1 . ASP AG 13 76 ? -34.211 25.021 -25.405 1.00 63.79 ? 79 ASP o OD1 1 ? ? +44714 ATOM O OD2 . ASP AG 13 76 ? -33.741 24.116 -23.468 1.00 63.26 ? 79 ASP o OD2 1 ? ? +44715 ATOM C C . ASP AG 13 76 ? -31.493 25.970 -26.577 1.00 63.43 ? 79 ASP o C 1 ? ? +44716 ATOM O O . ASP AG 13 76 ? -30.359 26.405 -26.745 1.00 62.77 ? 79 ASP o O 1 ? ? +44717 ATOM N N . GLN AG 13 77 ? -32.580 26.734 -26.405 1.00 64.93 ? 80 GLN o N 1 ? ? +44718 ATOM C CA . GLN AG 13 77 ? -32.554 28.185 -26.370 1.00 66.06 ? 80 GLN o CA 1 ? ? +44719 ATOM C CB . GLN AG 13 77 ? -31.690 28.691 -25.187 1.00 66.19 ? 80 GLN o CB 1 ? ? +44720 ATOM C CG . GLN AG 13 77 ? -32.242 28.147 -23.857 1.00 66.70 ? 80 GLN o CG 1 ? ? +44721 ATOM C CD . GLN AG 13 77 ? -31.946 28.970 -22.628 1.00 67.19 ? 80 GLN o CD 1 ? ? +44722 ATOM O OE1 . GLN AG 13 77 ? -32.643 29.987 -22.329 1.00 68.58 ? 80 GLN o OE1 1 ? ? +44723 ATOM N NE2 . GLN AG 13 77 ? -30.977 28.501 -21.847 1.00 66.41 ? 80 GLN o NE2 1 ? ? +44724 ATOM C C . GLN AG 13 77 ? -32.124 28.711 -27.737 1.00 66.29 ? 80 GLN o C 1 ? ? +44725 ATOM O O . GLN AG 13 77 ? -31.593 29.811 -27.850 1.00 66.42 ? 80 GLN o O 1 ? ? +44726 ATOM N N . ILE AG 13 78 ? -32.426 27.925 -28.777 1.00 66.56 ? 81 ILE o N 1 ? ? +44727 ATOM C CA . ILE AG 13 78 ? -32.142 28.309 -30.145 1.00 67.04 ? 81 ILE o CA 1 ? ? +44728 ATOM C CB . ILE AG 13 78 ? -31.951 27.083 -31.073 1.00 66.24 ? 81 ILE o CB 1 ? ? +44729 ATOM C CG1 . ILE AG 13 78 ? -30.721 26.257 -30.637 1.00 65.18 ? 81 ILE o CG1 1 ? ? +44730 ATOM C CG2 . ILE AG 13 78 ? -31.837 27.504 -32.526 1.00 66.34 ? 81 ILE o CG2 1 ? ? +44731 ATOM C CD1 . ILE AG 13 78 ? -30.508 24.976 -31.367 1.00 64.63 ? 81 ILE o CD1 1 ? ? +44732 ATOM C C . ILE AG 13 78 ? -33.285 29.212 -30.583 1.00 69.11 ? 81 ILE o C 1 ? ? +44733 ATOM O O . ILE AG 13 78 ? -34.449 28.942 -30.303 1.00 69.95 ? 81 ILE o O 1 ? ? +44734 ATOM N N . GLN AG 13 79 ? -32.929 30.304 -31.259 1.00 70.48 ? 82 GLN o N 1 ? ? +44735 ATOM C CA . GLN AG 13 79 ? -33.914 31.226 -31.778 1.00 72.27 ? 82 GLN o CA 1 ? ? +44736 ATOM C CB . GLN AG 13 79 ? -34.170 32.328 -30.754 1.00 73.53 ? 82 GLN o CB 1 ? ? +44737 ATOM C CG . GLN AG 13 79 ? -32.941 33.141 -30.412 1.00 73.87 ? 82 GLN o CG 1 ? ? +44738 ATOM C CD . GLN AG 13 79 ? -33.241 34.271 -29.440 1.00 75.27 ? 82 GLN o CD 1 ? ? +44739 ATOM O OE1 . GLN AG 13 79 ? -34.396 34.513 -28.999 1.00 76.11 ? 82 GLN o OE1 1 ? ? +44740 ATOM N NE2 . GLN AG 13 79 ? -32.189 35.020 -29.115 1.00 75.42 ? 82 GLN o NE2 1 ? ? +44741 ATOM C C . GLN AG 13 79 ? -33.439 31.774 -33.119 1.00 72.73 ? 82 GLN o C 1 ? ? +44742 ATOM O O . GLN AG 13 79 ? -32.252 31.768 -33.417 1.00 71.61 ? 82 GLN o O 1 ? ? +44743 ATOM N N . GLY AG 13 80 ? -34.399 32.237 -33.920 1.00 74.60 ? 83 GLY o N 1 ? ? +44744 ATOM C CA . GLY AG 13 80 ? -34.123 32.792 -35.232 1.00 75.49 ? 83 GLY o CA 1 ? ? +44745 ATOM C C . GLY AG 13 80 ? -35.400 33.251 -35.928 1.00 77.14 ? 83 GLY o C 1 ? ? +44746 ATOM O O . GLY AG 13 80 ? -36.495 33.010 -35.434 1.00 77.39 ? 83 GLY o O 1 ? ? +44747 ATOM N N . GLU AG 13 81 ? -35.232 33.926 -37.068 1.00 78.80 ? 84 GLU o N 1 ? ? +44748 ATOM C CA . GLU AG 13 81 ? -36.346 34.421 -37.859 1.00 80.76 ? 84 GLU o CA 1 ? ? +44749 ATOM C CB . GLU AG 13 81 ? -35.853 35.464 -38.875 1.00 82.61 ? 84 GLU o CB 1 ? ? +44750 ATOM C CG . GLU AG 13 81 ? -36.962 36.123 -39.682 1.00 85.14 ? 84 GLU o CG 1 ? ? +44751 ATOM C CD . GLU AG 13 81 ? -36.511 37.218 -40.636 1.00 86.91 ? 84 GLU o CD 1 ? ? +44752 ATOM O OE1 . GLU AG 13 81 ? -35.294 37.288 -40.939 1.00 87.50 ? 84 GLU o OE1 1 ? ? +44753 ATOM O OE2 . GLU AG 13 81 ? -37.378 38.021 -41.063 1.00 88.56 ? 84 GLU o OE2 1 ? ? +44754 ATOM C C . GLU AG 13 81 ? -37.027 33.265 -38.585 1.00 80.53 ? 84 GLU o C 1 ? ? +44755 ATOM O O . GLU AG 13 81 ? -36.358 32.358 -39.073 1.00 79.83 ? 84 GLU o O 1 ? ? +44756 ATOM N N . LEU AG 13 82 ? -38.363 33.307 -38.622 1.00 81.54 ? 85 LEU o N 1 ? ? +44757 ATOM C CA . LEU AG 13 82 ? -39.153 32.400 -39.433 1.00 81.85 ? 85 LEU o CA 1 ? ? +44758 ATOM C CB . LEU AG 13 82 ? -40.199 31.681 -38.578 1.00 81.80 ? 85 LEU o CB 1 ? ? +44759 ATOM C CG . LEU AG 13 82 ? -41.047 30.651 -39.295 1.00 81.92 ? 85 LEU o CG 1 ? ? +44760 ATOM C CD1 . LEU AG 13 82 ? -40.197 29.475 -39.781 1.00 80.98 ? 85 LEU o CD1 1 ? ? +44761 ATOM C CD2 . LEU AG 13 82 ? -42.163 30.174 -38.395 1.00 82.23 ? 85 LEU o CD2 1 ? ? +44762 ATOM C C . LEU AG 13 82 ? -39.809 33.218 -40.540 1.00 83.50 ? 85 LEU o C 1 ? ? +44763 ATOM O O . LEU AG 13 82 ? -40.822 33.868 -40.309 1.00 84.57 ? 85 LEU o O 1 ? ? +44764 ATOM N N . LYS AG 13 83 ? -39.216 33.167 -41.739 1.00 84.17 ? 86 LYS o N 1 ? ? +44765 ATOM C CA . LYS AG 13 83 ? -39.670 33.941 -42.886 1.00 85.39 ? 86 LYS o CA 1 ? ? +44766 ATOM C CB . LYS AG 13 83 ? -38.500 34.207 -43.853 1.00 86.42 ? 86 LYS o CB 1 ? ? +44767 ATOM C CG . LYS AG 13 83 ? -37.490 35.203 -43.327 1.00 87.31 ? 86 LYS o CG 1 ? ? +44768 ATOM C CD . LYS AG 13 83 ? -36.453 35.637 -44.377 1.00 87.52 ? 86 LYS o CD 1 ? ? +44769 ATOM C CE . LYS AG 13 83 ? -35.219 34.800 -44.345 1.00 86.75 ? 86 LYS o CE 1 ? ? +44770 ATOM N NZ . LYS AG 13 83 ? -34.073 35.531 -44.944 1.00 87.26 ? 86 LYS o NZ 1 ? ? +44771 ATOM C C . LYS AG 13 83 ? -40.755 33.240 -43.692 1.00 85.00 ? 86 LYS o C 1 ? ? +44772 ATOM O O . LYS AG 13 83 ? -40.709 32.025 -43.858 1.00 84.36 ? 86 LYS o O 1 ? ? +44773 ATOM N N . VAL AG 13 84 ? -41.690 34.032 -44.226 1.00 85.20 ? 87 VAL o N 1 ? ? +44774 ATOM C CA . VAL AG 13 84 ? -42.630 33.554 -45.228 1.00 85.41 ? 87 VAL o CA 1 ? ? +44775 ATOM C CB . VAL AG 13 84 ? -44.065 34.086 -45.039 1.00 86.04 ? 87 VAL o CB 1 ? ? +44776 ATOM C CG1 . VAL AG 13 84 ? -45.037 33.201 -45.790 1.00 86.60 ? 87 VAL o CG1 1 ? ? +44777 ATOM C CG2 . VAL AG 13 84 ? -44.461 34.186 -43.569 1.00 85.92 ? 87 VAL o CG2 1 ? ? +44778 ATOM C C . VAL AG 13 84 ? -42.095 33.950 -46.605 1.00 85.45 ? 87 VAL o C 1 ? ? +44779 ATOM O O . VAL AG 13 84 ? -41.824 35.123 -46.850 1.00 86.04 ? 87 VAL o O 1 ? ? +44780 ATOM N N . ASN AG 13 85 ? -41.957 32.970 -47.504 1.00 84.83 ? 88 ASN o N 1 ? ? +44781 ATOM C CA . ASN AG 13 85 ? -41.454 33.221 -48.845 1.00 84.69 ? 88 ASN o CA 1 ? ? +44782 ATOM C CB . ASN AG 13 85 ? -40.588 32.051 -49.293 1.00 83.21 ? 88 ASN o CB 1 ? ? +44783 ATOM C CG . ASN AG 13 85 ? -39.405 31.850 -48.399 1.00 81.68 ? 88 ASN o CG 1 ? ? +44784 ATOM O OD1 . ASN AG 13 85 ? -39.171 30.762 -47.855 1.00 80.72 ? 88 ASN o OD1 1 ? ? +44785 ATOM N ND2 . ASN AG 13 85 ? -38.636 32.909 -48.223 1.00 81.41 ? 88 ASN o ND2 1 ? ? +44786 ATOM C C . ASN AG 13 85 ? -42.583 33.477 -49.843 1.00 86.17 ? 88 ASN o C 1 ? ? +44787 ATOM O O . ASN AG 13 85 ? -43.759 33.385 -49.494 1.00 86.84 ? 88 ASN o O 1 ? ? +44788 ATOM N N . SER AG 13 86 ? -42.192 33.830 -51.077 1.00 86.95 ? 89 SER o N 1 ? ? +44789 ATOM C CA . SER AG 13 86 ? -43.117 34.086 -52.176 1.00 88.32 ? 89 SER o CA 1 ? ? +44790 ATOM C CB . SER AG 13 86 ? -42.351 34.225 -53.493 1.00 89.04 ? 89 SER o CB 1 ? ? +44791 ATOM O OG . SER AG 13 86 ? -41.281 35.151 -53.423 1.00 89.29 ? 89 SER o OG 1 ? ? +44792 ATOM C C . SER AG 13 86 ? -44.151 32.979 -52.364 1.00 87.81 ? 89 SER o C 1 ? ? +44793 ATOM O O . SER AG 13 86 ? -45.331 33.254 -52.529 1.00 88.40 ? 89 SER o O 1 ? ? +44794 ATOM N N . ASP AG 13 87 ? -43.670 31.731 -52.345 1.00 86.70 ? 90 ASP o N 1 ? ? +44795 ATOM C CA . ASP AG 13 87 ? -44.470 30.551 -52.631 1.00 86.47 ? 90 ASP o CA 1 ? ? +44796 ATOM C CB . ASP AG 13 87 ? -43.555 29.459 -53.223 1.00 85.42 ? 90 ASP o CB 1 ? ? +44797 ATOM C CG . ASP AG 13 87 ? -42.420 29.063 -52.316 1.00 84.19 ? 90 ASP o CG 1 ? ? +44798 ATOM O OD1 . ASP AG 13 87 ? -41.836 29.957 -51.688 1.00 84.25 ? 90 ASP o OD1 1 ? ? +44799 ATOM O OD2 . ASP AG 13 87 ? -42.106 27.857 -52.250 1.00 83.68 ? 90 ASP o OD2 1 ? ? +44800 ATOM C C . ASP AG 13 87 ? -45.203 29.981 -51.416 1.00 85.97 ? 90 ASP o C 1 ? ? +44801 ATOM O O . ASP AG 13 87 ? -45.714 28.863 -51.476 1.00 86.25 ? 90 ASP o O 1 ? ? +44802 ATOM N N . GLY AG 13 88 ? -45.226 30.734 -50.309 1.00 85.15 ? 91 GLY o N 1 ? ? +44803 ATOM C CA . GLY AG 13 88 ? -45.908 30.302 -49.100 1.00 84.41 ? 91 GLY o CA 1 ? ? +44804 ATOM C C . GLY AG 13 88 ? -45.124 29.344 -48.199 1.00 82.56 ? 91 GLY o C 1 ? ? +44805 ATOM O O . GLY AG 13 88 ? -45.594 29.005 -47.117 1.00 82.45 ? 91 GLY o O 1 ? ? +44806 ATOM N N . SER AG 13 89 ? -43.939 28.903 -48.640 1.00 80.69 ? 92 SER o N 1 ? ? +44807 ATOM C CA . SER AG 13 89 ? -43.067 28.111 -47.789 1.00 79.08 ? 92 SER o CA 1 ? ? +44808 ATOM C CB . SER AG 13 89 ? -41.898 27.508 -48.564 1.00 78.09 ? 92 SER o CB 1 ? ? +44809 ATOM O OG . SER AG 13 89 ? -41.054 28.536 -49.058 1.00 77.96 ? 92 SER o OG 1 ? ? +44810 ATOM C C . SER AG 13 89 ? -42.528 28.979 -46.659 1.00 78.27 ? 92 SER o C 1 ? ? +44811 ATOM O O . SER AG 13 89 ? -42.472 30.199 -46.797 1.00 78.66 ? 92 SER o O 1 ? ? +44812 ATOM N N . LEU AG 13 90 ? -42.160 28.333 -45.546 1.00 76.91 ? 93 LEU o N 1 ? ? +44813 ATOM C CA . LEU AG 13 90 ? -41.560 29.019 -44.414 1.00 76.09 ? 93 LEU o CA 1 ? ? +44814 ATOM C CB . LEU AG 13 90 ? -42.240 28.643 -43.085 1.00 76.09 ? 93 LEU o CB 1 ? ? +44815 ATOM C CG . LEU AG 13 90 ? -43.769 28.552 -43.070 1.00 77.18 ? 93 LEU o CG 1 ? ? +44816 ATOM C CD1 . LEU AG 13 90 ? -44.279 28.463 -41.668 1.00 77.23 ? 93 LEU o CD1 1 ? ? +44817 ATOM C CD2 . LEU AG 13 90 ? -44.434 29.722 -43.763 1.00 78.35 ? 93 LEU o CD2 1 ? ? +44818 ATOM C C . LEU AG 13 90 ? -40.085 28.634 -44.375 1.00 74.46 ? 93 LEU o C 1 ? ? +44819 ATOM O O . LEU AG 13 90 ? -39.741 27.501 -44.700 1.00 73.50 ? 93 LEU o O 1 ? ? +44820 ATOM N N . THR AG 13 91 ? -39.226 29.587 -43.994 1.00 73.91 ? 94 THR o N 1 ? ? +44821 ATOM C CA . THR AG 13 91 ? -37.813 29.305 -43.807 1.00 72.84 ? 94 THR o CA 1 ? ? +44822 ATOM C CB . THR AG 13 91 ? -36.963 29.911 -44.931 1.00 72.73 ? 94 THR o CB 1 ? ? +44823 ATOM O OG1 . THR AG 13 91 ? -37.244 29.203 -46.143 1.00 72.87 ? 94 THR o OG1 1 ? ? +44824 ATOM C CG2 . THR AG 13 91 ? -35.445 29.841 -44.630 1.00 71.55 ? 94 THR o CG2 1 ? ? +44825 ATOM C C . THR AG 13 91 ? -37.355 29.785 -42.434 1.00 72.41 ? 94 THR o C 1 ? ? +44826 ATOM O O . THR AG 13 91 ? -37.512 30.958 -42.105 1.00 73.14 ? 94 THR o O 1 ? ? +44827 ATOM N N . PHE AG 13 92 ? -36.809 28.848 -41.646 1.00 71.31 ? 95 PHE o N 1 ? ? +44828 ATOM C CA . PHE AG 13 92 ? -36.177 29.163 -40.379 1.00 70.66 ? 95 PHE o CA 1 ? ? +44829 ATOM C CB . PHE AG 13 92 ? -36.346 28.013 -39.383 1.00 70.08 ? 95 PHE o CB 1 ? ? +44830 ATOM C CG . PHE AG 13 92 ? -35.561 28.210 -38.106 1.00 69.35 ? 95 PHE o CG 1 ? ? +44831 ATOM C CD1 . PHE AG 13 92 ? -35.860 29.249 -37.247 1.00 69.82 ? 95 PHE o CD1 1 ? ? +44832 ATOM C CD2 . PHE AG 13 92 ? -34.502 27.375 -37.786 1.00 68.26 ? 95 PHE o CD2 1 ? ? +44833 ATOM C CE1 . PHE AG 13 92 ? -35.141 29.432 -36.077 1.00 69.23 ? 95 PHE o CE1 1 ? ? +44834 ATOM C CE2 . PHE AG 13 92 ? -33.780 27.566 -36.618 1.00 67.68 ? 95 PHE o CE2 1 ? ? +44835 ATOM C CZ . PHE AG 13 92 ? -34.105 28.592 -35.769 1.00 68.19 ? 95 PHE o CZ 1 ? ? +44836 ATOM C C . PHE AG 13 92 ? -34.690 29.433 -40.595 1.00 69.81 ? 95 PHE o C 1 ? ? +44837 ATOM O O . PHE AG 13 92 ? -33.990 28.614 -41.189 1.00 69.01 ? 95 PHE o O 1 ? ? +44838 ATOM N N . VAL AG 13 93 ? -34.225 30.584 -40.095 1.00 69.90 ? 96 VAL o N 1 ? ? +44839 ATOM C CA . VAL AG 13 93 ? -32.814 30.935 -40.139 1.00 69.25 ? 96 VAL o CA 1 ? ? +44840 ATOM C CB . VAL AG 13 93 ? -32.538 32.222 -40.961 1.00 69.76 ? 96 VAL o CB 1 ? ? +44841 ATOM C CG1 . VAL AG 13 93 ? -31.040 32.535 -41.015 1.00 68.83 ? 96 VAL o CG1 1 ? ? +44842 ATOM C CG2 . VAL AG 13 93 ? -33.135 32.117 -42.365 1.00 70.42 ? 96 VAL o CG2 1 ? ? +44843 ATOM C C . VAL AG 13 93 ? -32.332 31.081 -38.702 1.00 68.72 ? 96 VAL o C 1 ? ? +44844 ATOM O O . VAL AG 13 93 ? -32.698 32.026 -38.010 1.00 69.34 ? 96 VAL o O 1 ? ? +44845 ATOM N N . GLU AG 13 94 ? -31.515 30.124 -38.263 1.00 67.82 ? 97 GLU o N 1 ? ? +44846 ATOM C CA . GLU AG 13 94 ? -30.987 30.149 -36.915 1.00 67.34 ? 97 GLU o CA 1 ? ? +44847 ATOM C CB . GLU AG 13 94 ? -30.214 28.886 -36.614 1.00 66.15 ? 97 GLU o CB 1 ? ? +44848 ATOM C CG . GLU AG 13 94 ? -29.875 28.755 -35.142 1.00 65.50 ? 97 GLU o CG 1 ? ? +44849 ATOM C CD . GLU AG 13 94 ? -28.427 28.439 -34.846 1.00 64.24 ? 97 GLU o CD 1 ? ? +44850 ATOM O OE1 . GLU AG 13 94 ? -27.624 28.387 -35.802 1.00 63.90 ? 97 GLU o OE1 1 ? ? +44851 ATOM O OE2 . GLU AG 13 94 ? -28.094 28.247 -33.656 1.00 63.52 ? 97 GLU o OE2 1 ? ? +44852 ATOM C C . GLU AG 13 94 ? -30.066 31.352 -36.736 1.00 67.67 ? 97 GLU o C 1 ? ? +44853 ATOM O O . GLU AG 13 94 ? -29.184 31.595 -37.557 1.00 67.56 ? 97 GLU o O 1 ? ? +44854 ATOM N N . GLU AG 13 95 ? -30.286 32.087 -35.639 1.00 68.17 ? 98 GLU o N 1 ? ? +44855 ATOM C CA . GLU AG 13 95 ? -29.542 33.288 -35.310 1.00 68.34 ? 98 GLU o CA 1 ? ? +44856 ATOM C CB . GLU AG 13 95 ? -30.549 34.383 -34.933 1.00 69.68 ? 98 GLU o CB 1 ? ? +44857 ATOM C CG . GLU AG 13 95 ? -29.981 35.653 -34.338 1.00 70.31 ? 98 GLU o CG 1 ? ? +44858 ATOM C CD . GLU AG 13 95 ? -31.054 36.588 -33.795 1.00 71.67 ? 98 GLU o CD 1 ? ? +44859 ATOM O OE1 . GLU AG 13 95 ? -31.874 37.098 -34.598 1.00 72.76 ? 98 GLU o OE1 1 ? ? +44860 ATOM O OE2 . GLU AG 13 95 ? -31.085 36.795 -32.558 1.00 71.78 ? 98 GLU o OE2 1 ? ? +44861 ATOM C C . GLU AG 13 95 ? -28.540 32.990 -34.192 1.00 67.30 ? 98 GLU o C 1 ? ? +44862 ATOM O O . GLU AG 13 95 ? -27.353 33.297 -34.325 1.00 67.02 ? 98 GLU o O 1 ? ? +44863 ATOM N N . ASP AG 13 96 ? -29.023 32.369 -33.103 1.00 66.70 ? 99 ASP o N 1 ? ? +44864 ATOM C CA . ASP AG 13 96 ? -28.195 32.061 -31.945 1.00 65.59 ? 99 ASP o CA 1 ? ? +44865 ATOM C CB . ASP AG 13 96 ? -27.953 33.356 -31.126 1.00 65.98 ? 99 ASP o CB 1 ? ? +44866 ATOM C CG . ASP AG 13 96 ? -26.876 33.299 -30.060 1.00 65.39 ? 99 ASP o CG 1 ? ? +44867 ATOM O OD1 . ASP AG 13 96 ? -26.033 32.341 -30.100 1.00 64.65 ? 99 ASP o OD1 1 ? ? +44868 ATOM O OD2 . ASP AG 13 96 ? -26.871 34.198 -29.176 1.00 65.74 ? 99 ASP o OD2 1 ? ? +44869 ATOM C C . ASP AG 13 96 ? -28.850 31.015 -31.044 1.00 64.86 ? 99 ASP o C 1 ? ? +44870 ATOM O O . ASP AG 13 96 ? -30.046 30.754 -31.169 1.00 65.42 ? 99 ASP o O 1 ? ? +44871 ATOM N N . GLY AG 13 97 ? -28.056 30.441 -30.131 1.00 63.46 ? 100 GLY o N 1 ? ? +44872 ATOM C CA . GLY AG 13 97 ? -28.556 29.566 -29.081 1.00 62.79 ? 100 GLY o CA 1 ? ? +44873 ATOM C C . GLY AG 13 97 ? -27.452 28.620 -28.619 1.00 61.42 ? 100 GLY o C 1 ? ? +44874 ATOM O O . GLY AG 13 97 ? -26.328 28.723 -29.084 1.00 60.86 ? 100 GLY o O 1 ? ? +44875 ATOM N N . ILE AG 13 98 ? -27.779 27.710 -27.700 1.00 60.72 ? 101 ILE o N 1 ? ? +44876 ATOM C CA . ILE AG 13 98 ? -26.882 26.634 -27.323 1.00 59.48 ? 101 ILE o CA 1 ? ? +44877 ATOM C CB . ILE AG 13 98 ? -27.189 26.178 -25.877 1.00 59.28 ? 101 ILE o CB 1 ? ? +44878 ATOM C CG1 . ILE AG 13 98 ? -26.985 27.331 -24.891 1.00 59.53 ? 101 ILE o CG1 1 ? ? +44879 ATOM C CG2 . ILE AG 13 98 ? -26.382 24.967 -25.467 1.00 58.42 ? 101 ILE o CG2 1 ? ? +44880 ATOM C CD1 . ILE AG 13 98 ? -27.706 27.142 -23.602 1.00 59.76 ? 101 ILE o CD1 1 ? ? +44881 ATOM C C . ILE AG 13 98 ? -27.044 25.562 -28.401 1.00 59.04 ? 101 ILE o C 1 ? ? +44882 ATOM O O . ILE AG 13 98 ? -27.789 24.605 -28.226 1.00 59.04 ? 101 ILE o O 1 ? ? +44883 ATOM N N . ASP AG 13 99 ? -26.338 25.752 -29.525 1.00 58.57 ? 102 ASP o N 1 ? ? +44884 ATOM C CA . ASP AG 13 99 ? -26.588 25.020 -30.757 1.00 58.31 ? 102 ASP o CA 1 ? ? +44885 ATOM C CB . ASP AG 13 99 ? -26.677 26.011 -31.922 1.00 58.83 ? 102 ASP o CB 1 ? ? +44886 ATOM C CG . ASP AG 13 99 ? -25.455 26.851 -32.232 1.00 58.59 ? 102 ASP o CG 1 ? ? +44887 ATOM O OD1 . ASP AG 13 99 ? -24.359 26.561 -31.674 1.00 57.85 ? 102 ASP o OD1 1 ? ? +44888 ATOM O OD2 . ASP AG 13 99 ? -25.589 27.801 -33.036 1.00 59.12 ? 102 ASP o OD2 1 ? ? +44889 ATOM C C . ASP AG 13 99 ? -25.555 23.943 -31.076 1.00 57.27 ? 102 ASP o C 1 ? ? +44890 ATOM O O . ASP AG 13 99 ? -25.465 23.485 -32.210 1.00 57.17 ? 102 ASP o O 1 ? ? +44891 ATOM N N . PHE AG 13 100 ? -24.792 23.537 -30.060 1.00 56.44 ? 103 PHE o N 1 ? ? +44892 ATOM C CA . PHE AG 13 100 ? -23.891 22.409 -30.181 1.00 55.49 ? 103 PHE o CA 1 ? ? +44893 ATOM C CB . PHE AG 13 100 ? -22.525 22.869 -30.696 1.00 55.12 ? 103 PHE o CB 1 ? ? +44894 ATOM C CG . PHE AG 13 100 ? -21.795 23.732 -29.700 1.00 55.01 ? 103 PHE o CG 1 ? ? +44895 ATOM C CD1 . PHE AG 13 100 ? -22.173 25.044 -29.491 1.00 55.67 ? 103 PHE o CD1 1 ? ? +44896 ATOM C CD2 . PHE AG 13 100 ? -20.791 23.214 -28.918 1.00 54.29 ? 103 PHE o CD2 1 ? ? +44897 ATOM C CE1 . PHE AG 13 100 ? -21.521 25.828 -28.557 1.00 55.55 ? 103 PHE o CE1 1 ? ? +44898 ATOM C CE2 . PHE AG 13 100 ? -20.157 24.004 -27.983 1.00 54.25 ? 103 PHE o CE2 1 ? ? +44899 ATOM C CZ . PHE AG 13 100 ? -20.527 25.303 -27.812 1.00 54.86 ? 103 PHE o CZ 1 ? ? +44900 ATOM C C . PHE AG 13 100 ? -23.716 21.739 -28.825 1.00 54.89 ? 103 PHE o C 1 ? ? +44901 ATOM O O . PHE AG 13 100 ? -23.819 22.394 -27.798 1.00 55.00 ? 103 PHE o O 1 ? ? +44902 ATOM N N . GLN AG 13 101 ? -23.438 20.434 -28.846 1.00 54.24 ? 104 GLN o N 1 ? ? +44903 ATOM C CA . GLN AG 13 101 ? -22.947 19.707 -27.683 1.00 53.66 ? 104 GLN o CA 1 ? ? +44904 ATOM C CB . GLN AG 13 101 ? -24.070 18.985 -26.918 1.00 53.90 ? 104 GLN o CB 1 ? ? +44905 ATOM C CG . GLN AG 13 101 ? -25.114 19.908 -26.307 1.00 54.66 ? 104 GLN o CG 1 ? ? +44906 ATOM C CD . GLN AG 13 101 ? -24.573 20.710 -25.171 1.00 54.59 ? 104 GLN o CD 1 ? ? +44907 ATOM O OE1 . GLN AG 13 101 ? -23.453 20.480 -24.698 1.00 53.95 ? 104 GLN o OE1 1 ? ? +44908 ATOM N NE2 . GLN AG 13 101 ? -25.375 21.668 -24.703 1.00 55.23 ? 104 GLN o NE2 1 ? ? +44909 ATOM C C . GLN AG 13 101 ? -21.958 18.649 -28.164 1.00 52.88 ? 104 GLN o C 1 ? ? +44910 ATOM O O . GLN AG 13 101 ? -22.277 17.907 -29.088 1.00 52.87 ? 104 GLN o O 1 ? ? +44911 ATOM N N . PRO AG 13 102 ? -20.740 18.532 -27.582 1.00 52.22 ? 105 PRO o N 1 ? ? +44912 ATOM C CA . PRO AG 13 102 ? -19.902 17.365 -27.844 1.00 51.50 ? 105 PRO o CA 1 ? ? +44913 ATOM C CB . PRO AG 13 102 ? -18.576 17.732 -27.173 1.00 51.04 ? 105 PRO o CB 1 ? ? +44914 ATOM C CG . PRO AG 13 102 ? -18.927 18.747 -26.147 1.00 51.44 ? 105 PRO o CG 1 ? ? +44915 ATOM C CD . PRO AG 13 102 ? -20.119 19.489 -26.650 1.00 52.17 ? 105 PRO o CD 1 ? ? +44916 ATOM C C . PRO AG 13 102 ? -20.555 16.113 -27.255 1.00 51.36 ? 105 PRO o C 1 ? ? +44917 ATOM O O . PRO AG 13 102 ? -21.055 16.139 -26.134 1.00 51.50 ? 105 PRO o O 1 ? ? +44918 ATOM N N . VAL AG 13 103 ? -20.557 15.025 -28.025 1.00 51.10 ? 106 VAL o N 1 ? ? +44919 ATOM C CA . VAL AG 13 103 ? -21.090 13.753 -27.575 1.00 51.06 ? 106 VAL o CA 1 ? ? +44920 ATOM C CB . VAL AG 13 103 ? -22.410 13.420 -28.300 1.00 51.58 ? 106 VAL o CB 1 ? ? +44921 ATOM C CG1 . VAL AG 13 103 ? -22.962 12.075 -27.866 1.00 51.47 ? 106 VAL o CG1 1 ? ? +44922 ATOM C CG2 . VAL AG 13 103 ? -23.430 14.526 -28.102 1.00 52.30 ? 106 VAL o CG2 1 ? ? +44923 ATOM C C . VAL AG 13 103 ? -20.055 12.668 -27.848 1.00 50.47 ? 106 VAL o C 1 ? ? +44924 ATOM O O . VAL AG 13 103 ? -19.440 12.669 -28.906 1.00 50.28 ? 106 VAL o O 1 ? ? +44925 ATOM N N . THR AG 13 104 ? -19.879 11.739 -26.908 1.00 50.31 ? 107 THR o N 1 ? ? +44926 ATOM C CA . THR AG 13 104 ? -19.083 10.566 -27.193 1.00 50.00 ? 107 THR o CA 1 ? ? +44927 ATOM C CB . THR AG 13 104 ? -17.790 10.519 -26.345 1.00 49.36 ? 107 THR o CB 1 ? ? +44928 ATOM O OG1 . THR AG 13 104 ? -17.061 11.720 -26.605 1.00 49.32 ? 107 THR o OG1 1 ? ? +44929 ATOM C CG2 . THR AG 13 104 ? -16.970 9.309 -26.655 1.00 48.71 ? 107 THR o CG2 1 ? ? +44930 ATOM C C . THR AG 13 104 ? -19.923 9.314 -27.012 1.00 50.44 ? 107 THR o C 1 ? ? +44931 ATOM O O . THR AG 13 104 ? -20.449 9.065 -25.936 1.00 50.60 ? 107 THR o O 1 ? ? +44932 ATOM N N . VAL AG 13 105 ? -20.019 8.535 -28.086 1.00 50.96 ? 108 VAL o N 1 ? ? +44933 ATOM C CA . VAL AG 13 105 ? -20.736 7.281 -28.064 1.00 51.68 ? 108 VAL o CA 1 ? ? +44934 ATOM C CB . VAL AG 13 105 ? -21.844 7.228 -29.135 1.00 52.22 ? 108 VAL o CB 1 ? ? +44935 ATOM C CG1 . VAL AG 13 105 ? -22.876 8.341 -28.919 1.00 52.82 ? 108 VAL o CG1 1 ? ? +44936 ATOM C CG2 . VAL AG 13 105 ? -21.253 7.267 -30.534 1.00 52.04 ? 108 VAL o CG2 1 ? ? +44937 ATOM C C . VAL AG 13 105 ? -19.729 6.163 -28.240 1.00 51.89 ? 108 VAL o C 1 ? ? +44938 ATOM O O . VAL AG 13 105 ? -18.652 6.364 -28.802 1.00 51.76 ? 108 VAL o O 1 ? ? +44939 ATOM N N . GLN AG 13 106 ? -20.094 4.985 -27.742 1.00 52.84 ? 109 GLN o N 1 ? ? +44940 ATOM C CA . GLN AG 13 106 ? -19.212 3.839 -27.815 1.00 53.22 ? 109 GLN o CA 1 ? ? +44941 ATOM C CB . GLN AG 13 106 ? -18.849 3.383 -26.413 1.00 53.03 ? 109 GLN o CB 1 ? ? +44942 ATOM C CG . GLN AG 13 106 ? -17.631 2.491 -26.383 1.00 52.45 ? 109 GLN o CG 1 ? ? +44943 ATOM C CD . GLN AG 13 106 ? -17.196 2.261 -24.972 1.00 52.09 ? 109 GLN o CD 1 ? ? +44944 ATOM O OE1 . GLN AG 13 106 ? -16.712 3.180 -24.291 1.00 51.91 ? 109 GLN o OE1 1 ? ? +44945 ATOM N NE2 . GLN AG 13 106 ? -17.391 1.043 -24.506 1.00 52.05 ? 109 GLN o NE2 1 ? ? +44946 ATOM C C . GLN AG 13 106 ? -19.881 2.732 -28.618 1.00 54.35 ? 109 GLN o C 1 ? ? +44947 ATOM O O . GLN AG 13 106 ? -21.063 2.451 -28.440 1.00 54.75 ? 109 GLN o O 1 ? ? +44948 ATOM N N . MET AG 13 107 ? -19.094 2.149 -29.525 1.00 55.57 ? 110 MET o N 1 ? ? +44949 ATOM C CA . MET AG 13 107 ? -19.501 1.015 -30.333 1.00 57.11 ? 110 MET o CA 1 ? ? +44950 ATOM C CB . MET AG 13 107 ? -18.821 1.073 -31.696 1.00 58.81 ? 110 MET o CB 1 ? ? +44951 ATOM C CG . MET AG 13 107 ? -19.214 2.266 -32.512 1.00 61.42 ? 110 MET o CG 1 ? ? +44952 ATOM S SD . MET AG 13 107 ? -18.866 2.085 -34.277 1.00 65.73 ? 110 MET o SD 1 ? ? +44953 ATOM C CE . MET AG 13 107 ? -17.182 1.348 -34.233 1.00 63.47 ? 110 MET o CE 1 ? ? +44954 ATOM C C . MET AG 13 107 ? -19.105 -0.293 -29.656 1.00 56.35 ? 110 MET o C 1 ? ? +44955 ATOM O O . MET AG 13 107 ? -18.262 -0.314 -28.762 1.00 55.48 ? 110 MET o O 1 ? ? +44956 ATOM N N . ALA AG 13 108 ? -19.728 -1.385 -30.110 1.00 56.40 ? 111 ALA o N 1 ? ? +44957 ATOM C CA . ALA AG 13 108 ? -19.412 -2.718 -29.639 1.00 56.14 ? 111 ALA o CA 1 ? ? +44958 ATOM C CB . ALA AG 13 108 ? -20.244 -3.739 -30.366 1.00 56.53 ? 111 ALA o CB 1 ? ? +44959 ATOM C C . ALA AG 13 108 ? -17.933 -2.965 -29.898 1.00 55.97 ? 111 ALA o C 1 ? ? +44960 ATOM O O . ALA AG 13 108 ? -17.462 -2.745 -31.002 1.00 56.70 ? 111 ALA o O 1 ? ? +44961 ATOM N N . GLY AG 13 109 ? -17.198 -3.392 -28.873 1.00 55.61 ? 112 GLY o N 1 ? ? +44962 ATOM C CA . GLY AG 13 109 ? -15.777 -3.659 -29.007 1.00 54.67 ? 112 GLY o CA 1 ? ? +44963 ATOM C C . GLY AG 13 109 ? -14.915 -2.555 -28.403 1.00 54.71 ? 112 GLY o C 1 ? ? +44964 ATOM O O . GLY AG 13 109 ? -13.689 -2.690 -28.341 1.00 54.27 ? 112 GLY o O 1 ? ? +44965 ATOM N N . GLY AG 13 110 ? -15.565 -1.443 -28.025 1.00 54.98 ? 113 GLY o N 1 ? ? +44966 ATOM C CA . GLY AG 13 110 ? -14.969 -0.416 -27.187 1.00 54.72 ? 113 GLY o CA 1 ? ? +44967 ATOM C C . GLY AG 13 110 ? -14.613 0.897 -27.880 1.00 55.21 ? 113 GLY o C 1 ? ? +44968 ATOM O O . GLY AG 13 110 ? -14.340 1.885 -27.206 1.00 55.56 ? 113 GLY o O 1 ? ? +44969 ATOM N N . GLU AG 13 111 ? -14.610 0.907 -29.218 1.00 56.00 ? 114 GLU o N 1 ? ? +44970 ATOM C CA . GLU AG 13 111 ? -14.235 2.095 -29.969 1.00 57.05 ? 114 GLU o CA 1 ? ? +44971 ATOM C CB . GLU AG 13 111 ? -14.216 1.783 -31.474 1.00 59.75 ? 114 GLU o CB 1 ? ? +44972 ATOM C CG . GLU AG 13 111 ? -13.709 2.937 -32.335 1.00 63.05 ? 114 GLU o CG 1 ? ? +44973 ATOM C CD . GLU AG 13 111 ? -13.804 2.743 -33.845 1.00 67.17 ? 114 GLU o CD 1 ? ? +44974 ATOM O OE1 . GLU AG 13 111 ? -14.394 1.730 -34.300 1.00 70.57 ? 114 GLU o OE1 1 ? ? +44975 ATOM O OE2 . GLU AG 13 111 ? -13.263 3.605 -34.575 1.00 70.46 ? 114 GLU o OE2 1 ? ? +44976 ATOM C C . GLU AG 13 111 ? -15.179 3.267 -29.676 1.00 56.12 ? 114 GLU o C 1 ? ? +44977 ATOM O O . GLU AG 13 111 ? -16.405 3.114 -29.722 1.00 55.91 ? 114 GLU o O 1 ? ? +44978 ATOM N N . ARG AG 13 112 ? -14.578 4.436 -29.390 1.00 54.14 ? 115 ARG o N 1 ? ? +44979 ATOM C CA . ARG AG 13 112 ? -15.305 5.642 -29.020 1.00 53.24 ? 115 ARG o CA 1 ? ? +44980 ATOM C CB . ARG AG 13 112 ? -14.638 6.305 -27.818 1.00 52.74 ? 115 ARG o CB 1 ? ? +44981 ATOM C CG . ARG AG 13 112 ? -14.868 5.540 -26.533 1.00 52.44 ? 115 ARG o CG 1 ? ? +44982 ATOM C CD . ARG AG 13 112 ? -13.799 5.785 -25.565 1.00 52.01 ? 115 ARG o CD 1 ? ? +44983 ATOM N NE . ARG AG 13 112 ? -14.032 5.152 -24.279 1.00 52.01 ? 115 ARG o NE 1 ? ? +44984 ATOM C CZ . ARG AG 13 112 ? -13.236 5.312 -23.233 1.00 51.91 ? 115 ARG o CZ 1 ? ? +44985 ATOM N NH1 . ARG AG 13 112 ? -12.098 5.979 -23.326 1.00 51.72 ? 115 ARG o NH1 1 ? ? +44986 ATOM N NH2 . ARG AG 13 112 ? -13.592 4.802 -22.059 1.00 52.23 ? 115 ARG o NH2 1 ? ? +44987 ATOM C C . ARG AG 13 112 ? -15.383 6.618 -30.187 1.00 52.73 ? 115 ARG o C 1 ? ? +44988 ATOM O O . ARG AG 13 112 ? -14.387 6.875 -30.847 1.00 52.00 ? 115 ARG o O 1 ? ? +44989 ATOM N N . ILE AG 13 113 ? -16.591 7.137 -30.440 1.00 52.80 ? 116 ILE o N 1 ? ? +44990 ATOM C CA . ILE AG 13 113 ? -16.834 8.033 -31.557 1.00 52.66 ? 116 ILE o CA 1 ? ? +44991 ATOM C CB . ILE AG 13 113 ? -17.899 7.498 -32.542 1.00 53.13 ? 116 ILE o CB 1 ? ? +44992 ATOM C CG1 . ILE AG 13 113 ? -17.650 6.064 -32.957 1.00 52.96 ? 116 ILE o CG1 1 ? ? +44993 ATOM C CG2 . ILE AG 13 113 ? -18.005 8.397 -33.773 1.00 53.43 ? 116 ILE o CG2 1 ? ? +44994 ATOM C CD1 . ILE AG 13 113 ? -16.475 5.901 -33.860 1.00 52.80 ? 116 ILE o CD1 1 ? ? +44995 ATOM C C . ILE AG 13 113 ? -17.272 9.375 -30.987 1.00 52.55 ? 116 ILE o C 1 ? ? +44996 ATOM O O . ILE AG 13 113 ? -18.440 9.551 -30.649 1.00 53.18 ? 116 ILE o O 1 ? ? +44997 ATOM N N . PRO AG 13 114 ? -16.355 10.353 -30.830 1.00 51.79 ? 117 PRO o N 1 ? ? +44998 ATOM C CA . PRO AG 13 114 ? -16.761 11.715 -30.504 1.00 51.86 ? 117 PRO o CA 1 ? ? +44999 ATOM C CB . PRO AG 13 114 ? -15.464 12.331 -29.970 1.00 51.55 ? 117 PRO o CB 1 ? ? +45000 ATOM C CG . PRO AG 13 114 ? -14.385 11.532 -30.544 1.00 51.07 ? 117 PRO o CG 1 ? ? +45001 ATOM C CD . PRO AG 13 114 ? -14.895 10.186 -30.878 1.00 51.05 ? 117 PRO o CD 1 ? ? +45002 ATOM C C . PRO AG 13 114 ? -17.344 12.432 -31.723 1.00 52.00 ? 117 PRO o C 1 ? ? +45003 ATOM O O . PRO AG 13 114 ? -16.840 12.298 -32.836 1.00 52.10 ? 117 PRO o O 1 ? ? +45004 ATOM N N . LEU AG 13 115 ? -18.427 13.181 -31.500 1.00 52.06 ? 118 LEU o N 1 ? ? +45005 ATOM C CA . LEU AG 13 115 ? -19.004 14.038 -32.521 1.00 52.26 ? 118 LEU o CA 1 ? ? +45006 ATOM C CB . LEU AG 13 115 ? -20.233 13.399 -33.204 1.00 52.58 ? 118 LEU o CB 1 ? ? +45007 ATOM C CG . LEU AG 13 115 ? -21.390 13.029 -32.275 1.00 52.84 ? 118 LEU o CG 1 ? ? +45008 ATOM C CD1 . LEU AG 13 115 ? -22.712 13.275 -32.917 1.00 53.57 ? 118 LEU o CD1 1 ? ? +45009 ATOM C CD2 . LEU AG 13 115 ? -21.287 11.581 -31.854 1.00 52.37 ? 118 LEU o CD2 1 ? ? +45010 ATOM C C . LEU AG 13 115 ? -19.406 15.366 -31.886 1.00 52.45 ? 118 LEU o C 1 ? ? +45011 ATOM O O . LEU AG 13 115 ? -19.584 15.457 -30.674 1.00 52.34 ? 118 LEU o O 1 ? ? +45012 ATOM N N . LEU AG 13 116 ? -19.523 16.393 -32.730 1.00 52.67 ? 119 LEU o N 1 ? ? +45013 ATOM C CA . LEU AG 13 116 ? -20.039 17.678 -32.311 1.00 53.08 ? 119 LEU o CA 1 ? ? +45014 ATOM C CB . LEU AG 13 116 ? -19.205 18.842 -32.857 1.00 53.10 ? 119 LEU o CB 1 ? ? +45015 ATOM C CG . LEU AG 13 116 ? -19.499 20.191 -32.215 1.00 53.56 ? 119 LEU o CG 1 ? ? +45016 ATOM C CD1 . LEU AG 13 116 ? -18.755 20.355 -30.941 1.00 53.16 ? 119 LEU o CD1 1 ? ? +45017 ATOM C CD2 . LEU AG 13 116 ? -19.180 21.339 -33.154 1.00 53.91 ? 119 LEU o CD2 1 ? ? +45018 ATOM C C . LEU AG 13 116 ? -21.460 17.722 -32.851 1.00 53.70 ? 119 LEU o C 1 ? ? +45019 ATOM O O . LEU AG 13 116 ? -21.665 18.115 -33.993 1.00 53.95 ? 119 LEU o O 1 ? ? +45020 ATOM N N . PHE AG 13 117 ? -22.414 17.274 -32.028 1.00 53.93 ? 120 PHE o N 1 ? ? +45021 ATOM C CA . PHE AG 13 117 ? -23.825 17.299 -32.386 1.00 54.64 ? 120 PHE o CA 1 ? ? +45022 ATOM C CB . PHE AG 13 117 ? -24.677 16.531 -31.360 1.00 54.78 ? 120 PHE o CB 1 ? ? +45023 ATOM C CG . PHE AG 13 117 ? -26.172 16.673 -31.541 1.00 55.64 ? 120 PHE o CG 1 ? ? +45024 ATOM C CD1 . PHE AG 13 117 ? -26.750 16.536 -32.786 1.00 56.08 ? 120 PHE o CD1 1 ? ? +45025 ATOM C CD2 . PHE AG 13 117 ? -26.995 16.923 -30.460 1.00 56.06 ? 120 PHE o CD2 1 ? ? +45026 ATOM C CE1 . PHE AG 13 117 ? -28.132 16.671 -32.955 1.00 56.91 ? 120 PHE o CE1 1 ? ? +45027 ATOM C CE2 . PHE AG 13 117 ? -28.377 17.035 -30.625 1.00 56.87 ? 120 PHE o CE2 1 ? ? +45028 ATOM C CZ . PHE AG 13 117 ? -28.939 16.908 -31.872 1.00 57.25 ? 120 PHE o CZ 1 ? ? +45029 ATOM C C . PHE AG 13 117 ? -24.256 18.755 -32.466 1.00 55.22 ? 120 PHE o C 1 ? ? +45030 ATOM O O . PHE AG 13 117 ? -24.146 19.470 -31.479 1.00 55.36 ? 120 PHE o O 1 ? ? +45031 ATOM N N . THR AG 13 118 ? -24.714 19.198 -33.636 1.00 55.62 ? 121 THR o N 1 ? ? +45032 ATOM C CA . THR AG 13 118 ? -24.949 20.619 -33.825 1.00 56.23 ? 121 THR o CA 1 ? ? +45033 ATOM C CB . THR AG 13 118 ? -23.600 21.315 -34.192 1.00 55.77 ? 121 THR o CB 1 ? ? +45034 ATOM O OG1 . THR AG 13 118 ? -23.734 22.740 -34.154 1.00 56.23 ? 121 THR o OG1 1 ? ? +45035 ATOM C CG2 . THR AG 13 118 ? -23.104 20.917 -35.545 1.00 55.57 ? 121 THR o CG2 1 ? ? +45036 ATOM C C . THR AG 13 118 ? -26.029 20.894 -34.866 1.00 57.06 ? 121 THR o C 1 ? ? +45037 ATOM O O . THR AG 13 118 ? -26.372 20.016 -35.649 1.00 57.05 ? 121 THR o O 1 ? ? +45038 ATOM N N . VAL AG 13 119 ? -26.549 22.123 -34.838 1.00 57.88 ? 122 VAL o N 1 ? ? +45039 ATOM C CA . VAL AG 13 119 ? -27.351 22.663 -35.921 1.00 58.85 ? 122 VAL o CA 1 ? ? +45040 ATOM C CB . VAL AG 13 119 ? -28.874 22.592 -35.602 1.00 59.60 ? 122 VAL o CB 1 ? ? +45041 ATOM C CG1 . VAL AG 13 119 ? -29.351 21.148 -35.543 1.00 59.38 ? 122 VAL o CG1 1 ? ? +45042 ATOM C CG2 . VAL AG 13 119 ? -29.215 23.327 -34.313 1.00 59.86 ? 122 VAL o CG2 1 ? ? +45043 ATOM C C . VAL AG 13 119 ? -26.909 24.089 -36.239 1.00 59.37 ? 122 VAL o C 1 ? ? +45044 ATOM O O . VAL AG 13 119 ? -27.709 24.907 -36.672 1.00 60.18 ? 122 VAL o O 1 ? ? +45045 ATOM N N . LYS AG 13 120 ? -25.616 24.367 -36.058 1.00 59.10 ? 123 LYS o N 1 ? ? +45046 ATOM C CA . LYS AG 13 120 ? -25.071 25.693 -36.304 1.00 59.58 ? 123 LYS o CA 1 ? ? +45047 ATOM C CB . LYS AG 13 120 ? -23.537 25.689 -36.129 1.00 58.84 ? 123 LYS o CB 1 ? ? +45048 ATOM C CG . LYS AG 13 120 ? -23.107 25.800 -34.688 1.00 58.52 ? 123 LYS o CG 1 ? ? +45049 ATOM C CD . LYS AG 13 120 ? -21.594 25.946 -34.541 1.00 57.98 ? 123 LYS o CD 1 ? ? +45050 ATOM C CE . LYS AG 13 120 ? -21.270 26.999 -33.513 1.00 58.16 ? 123 LYS o CE 1 ? ? +45051 ATOM N NZ . LYS AG 13 120 ? -21.568 26.522 -32.170 1.00 57.97 ? 123 LYS o NZ 1 ? ? +45052 ATOM C C . LYS AG 13 120 ? -25.412 26.202 -37.701 1.00 60.35 ? 123 LYS o C 1 ? ? +45053 ATOM O O . LYS AG 13 120 ? -25.187 25.501 -38.690 1.00 60.27 ? 123 LYS o O 1 ? ? +45054 ATOM N N . ASN AG 13 121 ? -25.926 27.433 -37.760 1.00 61.22 ? 124 ASN o N 1 ? ? +45055 ATOM C CA . ASN AG 13 121 ? -26.271 28.066 -39.020 1.00 62.14 ? 124 ASN o CA 1 ? ? +45056 ATOM C CB . ASN AG 13 121 ? -25.019 28.223 -39.895 1.00 61.82 ? 124 ASN o CB 1 ? ? +45057 ATOM C CG . ASN AG 13 121 ? -24.052 29.080 -39.180 1.00 61.76 ? 124 ASN o CG 1 ? ? +45058 ATOM O OD1 . ASN AG 13 121 ? -24.386 30.195 -38.811 1.00 62.49 ? 124 ASN o OD1 1 ? ? +45059 ATOM N ND2 . ASN AG 13 121 ? -22.857 28.588 -38.905 1.00 61.10 ? 124 ASN o ND2 1 ? ? +45060 ATOM C C . ASN AG 13 121 ? -27.366 27.313 -39.765 1.00 62.64 ? 124 ASN o C 1 ? ? +45061 ATOM O O . ASN AG 13 121 ? -27.387 27.297 -40.993 1.00 62.94 ? 124 ASN o O 1 ? ? +45062 ATOM N N . LEU AG 13 122 ? -28.275 26.703 -39.005 1.00 62.82 ? 125 LEU o N 1 ? ? +45063 ATOM C CA . LEU AG 13 122 ? -29.371 25.956 -39.592 1.00 63.32 ? 125 LEU o CA 1 ? ? +45064 ATOM C CB . LEU AG 13 122 ? -30.249 25.328 -38.504 1.00 63.39 ? 125 LEU o CB 1 ? ? +45065 ATOM C CG . LEU AG 13 122 ? -31.481 24.585 -38.999 1.00 63.95 ? 125 LEU o CG 1 ? ? +45066 ATOM C CD1 . LEU AG 13 122 ? -31.105 23.380 -39.835 1.00 63.47 ? 125 LEU o CD1 1 ? ? +45067 ATOM C CD2 . LEU AG 13 122 ? -32.339 24.160 -37.844 1.00 64.14 ? 125 LEU o CD2 1 ? ? +45068 ATOM C C . LEU AG 13 122 ? -30.195 26.890 -40.472 1.00 64.25 ? 125 LEU o C 1 ? ? +45069 ATOM O O . LEU AG 13 122 ? -30.498 28.008 -40.070 1.00 64.71 ? 125 LEU o O 1 ? ? +45070 ATOM N N . VAL AG 13 123 ? -30.465 26.432 -41.700 1.00 64.56 ? 126 VAL o N 1 ? ? +45071 ATOM C CA . VAL AG 13 123 ? -31.451 27.029 -42.577 1.00 65.66 ? 126 VAL o CA 1 ? ? +45072 ATOM C CB . VAL AG 13 123 ? -30.848 27.709 -43.817 1.00 65.92 ? 126 VAL o CB 1 ? ? +45073 ATOM C CG1 . VAL AG 13 123 ? -31.941 28.251 -44.739 1.00 66.98 ? 126 VAL o CG1 1 ? ? +45074 ATOM C CG2 . VAL AG 13 123 ? -29.900 28.821 -43.406 1.00 65.78 ? 126 VAL o CG2 1 ? ? +45075 ATOM C C . VAL AG 13 123 ? -32.381 25.882 -42.950 1.00 65.93 ? 126 VAL o C 1 ? ? +45076 ATOM O O . VAL AG 13 123 ? -31.927 24.883 -43.501 1.00 65.35 ? 126 VAL o O 1 ? ? +45077 ATOM N N . ALA AG 13 124 ? -33.671 26.032 -42.617 1.00 66.75 ? 127 ALA o N 1 ? ? +45078 ATOM C CA . ALA AG 13 124 ? -34.621 24.946 -42.771 1.00 67.03 ? 127 ALA o CA 1 ? ? +45079 ATOM C CB . ALA AG 13 124 ? -34.807 24.220 -41.455 1.00 66.57 ? 127 ALA o CB 1 ? ? +45080 ATOM C C . ALA AG 13 124 ? -35.957 25.468 -43.286 1.00 68.29 ? 127 ALA o C 1 ? ? +45081 ATOM O O . ALA AG 13 124 ? -36.545 26.367 -42.692 1.00 68.68 ? 127 ALA o O 1 ? ? +45082 ATOM N N . SER AG 13 125 ? -36.418 24.859 -44.384 1.00 68.91 ? 128 SER o N 1 ? ? +45083 ATOM C CA . SER AG 13 125 ? -37.623 25.270 -45.073 1.00 70.30 ? 128 SER o CA 1 ? ? +45084 ATOM C CB . SER AG 13 125 ? -37.312 25.633 -46.511 1.00 70.51 ? 128 SER o CB 1 ? ? +45085 ATOM O OG . SER AG 13 125 ? -36.562 26.826 -46.530 1.00 70.50 ? 128 SER o OG 1 ? ? +45086 ATOM C C . SER AG 13 125 ? -38.689 24.183 -45.053 1.00 71.12 ? 128 SER o C 1 ? ? +45087 ATOM O O . SER AG 13 125 ? -38.364 23.006 -44.914 1.00 70.32 ? 128 SER o O 1 ? ? +45088 ATOM N N . THR AG 13 126 ? -39.951 24.619 -45.187 1.00 72.82 ? 129 THR o N 1 ? ? +45089 ATOM C CA . THR AG 13 126 ? -41.080 23.728 -45.376 1.00 73.91 ? 129 THR o CA 1 ? ? +45090 ATOM C CB . THR AG 13 126 ? -42.321 24.294 -44.666 1.00 74.66 ? 129 THR o CB 1 ? ? +45091 ATOM O OG1 . THR AG 13 126 ? -42.636 25.572 -45.219 1.00 75.26 ? 129 THR o OG1 1 ? ? +45092 ATOM C CG2 . THR AG 13 126 ? -42.120 24.424 -43.159 1.00 74.13 ? 129 THR o CG2 1 ? ? +45093 ATOM C C . THR AG 13 126 ? -41.343 23.531 -46.865 1.00 75.32 ? 129 THR o C 1 ? ? +45094 ATOM O O . THR AG 13 126 ? -40.650 24.090 -47.712 1.00 75.03 ? 129 THR o O 1 ? ? +45095 ATOM N N . GLN AG 13 127 ? -42.361 22.721 -47.167 1.00 77.23 ? 130 GLN o N 1 ? ? +45096 ATOM C CA . GLN AG 13 127 ? -42.952 22.665 -48.496 1.00 79.24 ? 130 GLN o CA 1 ? ? +45097 ATOM C CB . GLN AG 13 127 ? -43.944 21.471 -48.611 1.00 80.39 ? 130 GLN o CB 1 ? ? +45098 ATOM C CG . GLN AG 13 127 ? -45.080 21.461 -47.548 1.00 81.73 ? 130 GLN o CG 1 ? ? +45099 ATOM C CD . GLN AG 13 127 ? -44.741 20.698 -46.262 1.00 81.78 ? 130 GLN o CD 1 ? ? +45100 ATOM O OE1 . GLN AG 13 127 ? -43.572 20.670 -45.738 1.00 80.50 ? 130 GLN o OE1 1 ? ? +45101 ATOM N NE2 . GLN AG 13 127 ? -45.787 20.061 -45.728 1.00 82.46 ? 130 GLN o NE2 1 ? ? +45102 ATOM C C . GLN AG 13 127 ? -43.641 23.999 -48.793 1.00 80.43 ? 130 GLN o C 1 ? ? +45103 ATOM O O . GLN AG 13 127 ? -43.827 24.800 -47.883 1.00 80.58 ? 130 GLN o O 1 ? ? +45104 ATOM N N . PRO AG 13 128 ? -44.007 24.301 -50.061 1.00 81.92 ? 131 PRO o N 1 ? ? +45105 ATOM C CA . PRO AG 13 128 ? -44.748 25.525 -50.381 1.00 84.00 ? 131 PRO o CA 1 ? ? +45106 ATOM C CB . PRO AG 13 128 ? -44.823 25.507 -51.918 1.00 84.16 ? 131 PRO o CB 1 ? ? +45107 ATOM C CG . PRO AG 13 128 ? -43.767 24.531 -52.356 1.00 82.84 ? 131 PRO o CG 1 ? ? +45108 ATOM C CD . PRO AG 13 128 ? -43.681 23.511 -51.259 1.00 81.85 ? 131 PRO o CD 1 ? ? +45109 ATOM C C . PRO AG 13 128 ? -46.156 25.615 -49.796 1.00 86.25 ? 131 PRO o C 1 ? ? +45110 ATOM O O . PRO AG 13 128 ? -46.698 24.634 -49.293 1.00 85.81 ? 131 PRO o O 1 ? ? +45111 ATOM N N . ASN AG 13 129 ? -46.724 26.821 -49.882 1.00 89.50 ? 132 ASN o N 1 ? ? +45112 ATOM C CA . ASN AG 13 129 ? -48.098 27.105 -49.497 1.00 92.88 ? 132 ASN o CA 1 ? ? +45113 ATOM C CB . ASN AG 13 129 ? -49.064 26.666 -50.594 1.00 94.82 ? 132 ASN o CB 1 ? ? +45114 ATOM C CG . ASN AG 13 129 ? -50.394 27.342 -50.448 1.00 98.17 ? 132 ASN o CG 1 ? ? +45115 ATOM O OD1 . ASN AG 13 129 ? -51.374 26.735 -50.000 1.00 100.21 ? 132 ASN o OD1 1 ? ? +45116 ATOM N ND2 . ASN AG 13 129 ? -50.454 28.642 -50.775 1.00 99.89 ? 132 ASN o ND2 1 ? ? +45117 ATOM C C . ASN AG 13 129 ? -48.494 26.484 -48.160 1.00 93.54 ? 132 ASN o C 1 ? ? +45118 ATOM O O . ASN AG 13 129 ? -49.385 25.642 -48.103 1.00 94.63 ? 132 ASN o O 1 ? ? +45119 ATOM N N . VAL AG 13 130 ? -47.816 26.906 -47.085 1.00 93.35 ? 133 VAL o N 1 ? ? +45120 ATOM C CA . VAL AG 13 130 ? -48.212 26.545 -45.735 1.00 92.84 ? 133 VAL o CA 1 ? ? +45121 ATOM C CB . VAL AG 13 130 ? -46.984 26.196 -44.861 1.00 91.64 ? 133 VAL o CB 1 ? ? +45122 ATOM C CG1 . VAL AG 13 130 ? -47.378 25.877 -43.417 1.00 91.39 ? 133 VAL o CG1 1 ? ? +45123 ATOM C CG2 . VAL AG 13 130 ? -46.193 25.048 -45.478 1.00 90.49 ? 133 VAL o CG2 1 ? ? +45124 ATOM C C . VAL AG 13 130 ? -49.026 27.705 -45.171 1.00 93.57 ? 133 VAL o C 1 ? ? +45125 ATOM O O . VAL AG 13 130 ? -48.473 28.607 -44.544 1.00 92.48 ? 133 VAL o O 1 ? ? +45126 ATOM N N . THR AG 13 131 ? -50.338 27.673 -45.442 1.00 95.24 ? 134 THR o N 1 ? ? +45127 ATOM C CA . THR AG 13 131 ? -51.280 28.632 -44.889 1.00 96.62 ? 134 THR o CA 1 ? ? +45128 ATOM C CB . THR AG 13 131 ? -52.718 28.377 -45.389 1.00 99.43 ? 134 THR o CB 1 ? ? +45129 ATOM O OG1 . THR AG 13 131 ? -53.222 27.189 -44.787 1.00 100.65 ? 134 THR o OG1 1 ? ? +45130 ATOM C CG2 . THR AG 13 131 ? -52.822 28.244 -46.901 1.00 100.33 ? 134 THR o CG2 1 ? ? +45131 ATOM C C . THR AG 13 131 ? -51.242 28.557 -43.364 1.00 95.85 ? 134 THR o C 1 ? ? +45132 ATOM O O . THR AG 13 131 ? -51.288 29.584 -42.685 1.00 96.13 ? 134 THR o O 1 ? ? +45133 ATOM N N . SER AG 13 132 ? -51.148 27.320 -42.853 1.00 94.80 ? 135 SER o N 1 ? ? +45134 ATOM C CA . SER AG 13 132 ? -51.151 27.028 -41.430 1.00 94.05 ? 135 SER o CA 1 ? ? +45135 ATOM C CB . SER AG 13 132 ? -52.549 26.576 -41.001 1.00 95.80 ? 135 SER o CB 1 ? ? +45136 ATOM O OG . SER AG 13 132 ? -52.608 26.213 -39.635 1.00 96.54 ? 135 SER o OG 1 ? ? +45137 ATOM C C . SER AG 13 132 ? -50.128 25.939 -41.119 1.00 91.54 ? 135 SER o C 1 ? ? +45138 ATOM O O . SER AG 13 132 ? -49.963 25.016 -41.914 1.00 91.83 ? 135 SER o O 1 ? ? +45139 ATOM N N . ILE AG 13 133 ? -49.447 26.053 -39.971 1.00 89.45 ? 136 ILE o N 1 ? ? +45140 ATOM C CA . ILE AG 13 133 ? -48.547 25.007 -39.512 1.00 87.81 ? 136 ILE o CA 1 ? ? +45141 ATOM C CB . ILE AG 13 133 ? -47.457 25.556 -38.550 1.00 87.03 ? 136 ILE o CB 1 ? ? +45142 ATOM C CG1 . ILE AG 13 133 ? -46.435 26.399 -39.344 1.00 86.97 ? 136 ILE o CG1 1 ? ? +45143 ATOM C CG2 . ILE AG 13 133 ? -46.763 24.427 -37.760 1.00 85.83 ? 136 ILE o CG2 1 ? ? +45144 ATOM C CD1 . ILE AG 13 133 ? -45.244 26.823 -38.580 1.00 86.00 ? 136 ILE o CD1 1 ? ? +45145 ATOM C C . ILE AG 13 133 ? -49.384 23.900 -38.879 1.00 87.25 ? 136 ILE o C 1 ? ? +45146 ATOM O O . ILE AG 13 133 ? -50.122 24.155 -37.928 1.00 87.39 ? 136 ILE o O 1 ? ? +45147 ATOM N N . THR AG 13 134 ? -49.258 22.682 -39.431 1.00 86.33 ? 137 THR o N 1 ? ? +45148 ATOM C CA . THR AG 13 134 ? -50.053 21.534 -39.022 1.00 86.33 ? 137 THR o CA 1 ? ? +45149 ATOM C CB . THR AG 13 134 ? -51.065 21.162 -40.123 1.00 87.00 ? 137 THR o CB 1 ? ? +45150 ATOM O OG1 . THR AG 13 134 ? -50.435 20.363 -41.116 1.00 85.97 ? 137 THR o OG1 1 ? ? +45151 ATOM C CG2 . THR AG 13 134 ? -51.651 22.378 -40.821 1.00 87.98 ? 137 THR o CG2 1 ? ? +45152 ATOM C C . THR AG 13 134 ? -49.135 20.354 -38.717 1.00 85.41 ? 137 THR o C 1 ? ? +45153 ATOM O O . THR AG 13 134 ? -47.917 20.462 -38.854 1.00 85.03 ? 137 THR o O 1 ? ? +45154 ATOM N N . THR AG 13 135 ? -49.731 19.213 -38.343 1.00 85.62 ? 138 THR o N 1 ? ? +45155 ATOM C CA . THR AG 13 135 ? -48.968 17.995 -38.083 1.00 84.88 ? 138 THR o CA 1 ? ? +45156 ATOM C CB . THR AG 13 135 ? -49.788 16.973 -37.294 1.00 85.11 ? 138 THR o CB 1 ? ? +45157 ATOM O OG1 . THR AG 13 135 ? -50.788 16.428 -38.151 1.00 86.37 ? 138 THR o OG1 1 ? ? +45158 ATOM C CG2 . THR AG 13 135 ? -50.438 17.575 -36.058 1.00 85.72 ? 138 THR o CG2 1 ? ? +45159 ATOM C C . THR AG 13 135 ? -48.457 17.346 -39.370 1.00 84.64 ? 138 THR o C 1 ? ? +45160 ATOM O O . THR AG 13 135 ? -47.757 16.342 -39.327 1.00 84.99 ? 138 THR o O 1 ? ? +45161 ATOM N N . SER AG 13 136 ? -48.860 17.904 -40.516 1.00 85.68 ? 139 SER o N 1 ? ? +45162 ATOM C CA . SER AG 13 136 ? -48.323 17.535 -41.818 1.00 85.00 ? 139 SER o CA 1 ? ? +45163 ATOM C CB . SER AG 13 136 ? -49.375 17.735 -42.912 1.00 86.50 ? 139 SER o CB 1 ? ? +45164 ATOM O OG . SER AG 13 136 ? -50.366 16.733 -42.867 1.00 88.00 ? 139 SER o OG 1 ? ? +45165 ATOM C C . SER AG 13 136 ? -47.093 18.350 -42.208 1.00 83.37 ? 139 SER o C 1 ? ? +45166 ATOM O O . SER AG 13 136 ? -46.414 17.992 -43.165 1.00 82.48 ? 139 SER o O 1 ? ? +45167 ATOM N N . THR AG 13 137 ? -46.847 19.457 -41.494 1.00 82.91 ? 140 THR o N 1 ? ? +45168 ATOM C CA . THR AG 13 137 ? -45.766 20.358 -41.843 1.00 82.97 ? 140 THR o CA 1 ? ? +45169 ATOM C CB . THR AG 13 137 ? -45.936 21.698 -41.130 1.00 83.81 ? 140 THR o CB 1 ? ? +45170 ATOM O OG1 . THR AG 13 137 ? -47.292 22.148 -41.250 1.00 84.93 ? 140 THR o OG1 1 ? ? +45171 ATOM C CG2 . THR AG 13 137 ? -44.996 22.771 -41.685 1.00 83.99 ? 140 THR o CG2 1 ? ? +45172 ATOM C C . THR AG 13 137 ? -44.421 19.691 -41.541 1.00 81.68 ? 140 THR o C 1 ? ? +45173 ATOM O O . THR AG 13 137 ? -44.276 18.982 -40.550 1.00 79.76 ? 140 THR o O 1 ? ? +45174 ATOM N N . ASP AG 13 138 ? -43.454 19.888 -42.438 1.00 81.92 ? 141 ASP o N 1 ? ? +45175 ATOM C CA . ASP AG 13 138 ? -42.146 19.271 -42.315 1.00 82.66 ? 141 ASP o CA 1 ? ? +45176 ATOM C CB . ASP AG 13 138 ? -42.057 18.019 -43.201 1.00 84.90 ? 141 ASP o CB 1 ? ? +45177 ATOM C CG . ASP AG 13 138 ? -42.613 16.731 -42.627 1.00 87.62 ? 141 ASP o CG 1 ? ? +45178 ATOM O OD1 . ASP AG 13 138 ? -42.862 16.666 -41.376 1.00 90.92 ? 141 ASP o OD1 1 ? ? +45179 ATOM O OD2 . ASP AG 13 138 ? -42.755 15.770 -43.395 1.00 88.86 ? 141 ASP o OD2 1 ? ? +45180 ATOM C C . ASP AG 13 138 ? -41.062 20.286 -42.675 1.00 80.53 ? 141 ASP o C 1 ? ? +45181 ATOM O O . ASP AG 13 138 ? -41.199 21.014 -43.652 1.00 81.52 ? 141 ASP o O 1 ? ? +45182 ATOM N N . PHE AG 13 139 ? -40.012 20.350 -41.851 1.00 77.86 ? 142 PHE o N 1 ? ? +45183 ATOM C CA . PHE AG 13 139 ? -38.858 21.187 -42.138 1.00 76.72 ? 142 PHE o CA 1 ? ? +45184 ATOM C CB . PHE AG 13 139 ? -38.447 22.000 -40.907 1.00 75.86 ? 142 PHE o CB 1 ? ? +45185 ATOM C CG . PHE AG 13 139 ? -39.356 23.143 -40.541 1.00 76.03 ? 142 PHE o CG 1 ? ? +45186 ATOM C CD1 . PHE AG 13 139 ? -40.556 22.916 -39.894 1.00 76.23 ? 142 PHE o CD1 1 ? ? +45187 ATOM C CD2 . PHE AG 13 139 ? -38.998 24.445 -40.823 1.00 76.17 ? 142 PHE o CD2 1 ? ? +45188 ATOM C CE1 . PHE AG 13 139 ? -41.385 23.973 -39.548 1.00 77.16 ? 142 PHE o CE1 1 ? ? +45189 ATOM C CE2 . PHE AG 13 139 ? -39.833 25.503 -40.481 1.00 77.00 ? 142 PHE o CE2 1 ? ? +45190 ATOM C CZ . PHE AG 13 139 ? -41.022 25.260 -39.846 1.00 77.46 ? 142 PHE o CZ 1 ? ? +45191 ATOM C C . PHE AG 13 139 ? -37.671 20.336 -42.584 1.00 75.55 ? 142 PHE o C 1 ? ? +45192 ATOM O O . PHE AG 13 139 ? -37.317 19.365 -41.921 1.00 74.33 ? 142 PHE o O 1 ? ? +45193 ATOM N N . LYS AG 13 140 ? -37.066 20.702 -43.719 1.00 75.92 ? 143 LYS o N 1 ? ? +45194 ATOM C CA . LYS AG 13 140 ? -35.824 20.085 -44.164 1.00 75.79 ? 143 LYS o CA 1 ? ? +45195 ATOM C CB . LYS AG 13 140 ? -35.994 19.307 -45.479 1.00 78.16 ? 143 LYS o CB 1 ? ? +45196 ATOM C CG . LYS AG 13 140 ? -36.847 18.064 -45.335 1.00 80.59 ? 143 LYS o CG 1 ? ? +45197 ATOM C CD . LYS AG 13 140 ? -37.031 17.280 -46.620 1.00 82.53 ? 143 LYS o CD 1 ? ? +45198 ATOM C CE . LYS AG 13 140 ? -38.092 16.213 -46.436 1.00 84.22 ? 143 LYS o CE 1 ? ? +45199 ATOM N NZ . LYS AG 13 140 ? -37.680 15.195 -45.397 1.00 84.14 ? 143 LYS o NZ 1 ? ? +45200 ATOM C C . LYS AG 13 140 ? -34.766 21.169 -44.324 1.00 74.04 ? 143 LYS o C 1 ? ? +45201 ATOM O O . LYS AG 13 140 ? -35.062 22.259 -44.803 1.00 74.19 ? 143 LYS o O 1 ? ? +45202 ATOM N N . GLY AG 13 141 ? -33.531 20.869 -43.912 1.00 72.06 ? 144 GLY o N 1 ? ? +45203 ATOM C CA . GLY AG 13 141 ? -32.511 21.902 -43.869 1.00 71.23 ? 144 GLY o CA 1 ? ? +45204 ATOM C C . GLY AG 13 141 ? -31.071 21.421 -43.766 1.00 69.94 ? 144 GLY o C 1 ? ? +45205 ATOM O O . GLY AG 13 141 ? -30.798 20.244 -43.553 1.00 68.94 ? 144 GLY o O 1 ? ? +45206 ATOM N N . GLU AG 13 142 ? -30.158 22.383 -43.915 1.00 70.00 ? 145 GLU o N 1 ? ? +45207 ATOM C CA . GLU AG 13 142 ? -28.727 22.160 -43.810 1.00 68.86 ? 145 GLU o CA 1 ? ? +45208 ATOM C CB . GLU AG 13 142 ? -28.031 22.526 -45.113 1.00 70.59 ? 145 GLU o CB 1 ? ? +45209 ATOM C CG . GLU AG 13 142 ? -28.160 21.485 -46.207 1.00 72.52 ? 145 GLU o CG 1 ? ? +45210 ATOM C CD . GLU AG 13 142 ? -27.562 21.920 -47.530 1.00 74.74 ? 145 GLU o CD 1 ? ? +45211 ATOM O OE1 . GLU AG 13 142 ? -27.555 23.147 -47.785 1.00 75.88 ? 145 GLU o OE1 1 ? ? +45212 ATOM O OE2 . GLU AG 13 142 ? -27.078 21.050 -48.295 1.00 76.52 ? 145 GLU o OE2 1 ? ? +45213 ATOM C C . GLU AG 13 142 ? -28.138 23.020 -42.700 1.00 67.04 ? 145 GLU o C 1 ? ? +45214 ATOM O O . GLU AG 13 142 ? -28.618 24.118 -42.430 1.00 67.14 ? 145 GLU o O 1 ? ? +45215 ATOM N N . PHE AG 13 143 ? -27.066 22.510 -42.095 1.00 65.01 ? 146 PHE o N 1 ? ? +45216 ATOM C CA . PHE AG 13 143 ? -26.319 23.245 -41.092 1.00 63.94 ? 146 PHE o CA 1 ? ? +45217 ATOM C CB . PHE AG 13 143 ? -26.778 22.834 -39.687 1.00 63.61 ? 146 PHE o CB 1 ? ? +45218 ATOM C CG . PHE AG 13 143 ? -26.770 21.349 -39.426 1.00 62.83 ? 146 PHE o CG 1 ? ? +45219 ATOM C CD1 . PHE AG 13 143 ? -27.850 20.560 -39.783 1.00 63.19 ? 146 PHE o CD1 1 ? ? +45220 ATOM C CD2 . PHE AG 13 143 ? -25.687 20.744 -38.827 1.00 61.94 ? 146 PHE o CD2 1 ? ? +45221 ATOM C CE1 . PHE AG 13 143 ? -27.845 19.204 -39.535 1.00 62.57 ? 146 PHE o CE1 1 ? ? +45222 ATOM C CE2 . PHE AG 13 143 ? -25.677 19.375 -38.595 1.00 61.44 ? 146 PHE o CE2 1 ? ? +45223 ATOM C CZ . PHE AG 13 143 ? -26.759 18.617 -38.950 1.00 61.91 ? 146 PHE o CZ 1 ? ? +45224 ATOM C C . PHE AG 13 143 ? -24.824 23.003 -41.277 1.00 62.57 ? 146 PHE o C 1 ? ? +45225 ATOM O O . PHE AG 13 143 ? -24.427 22.139 -42.054 1.00 61.88 ? 146 PHE o O 1 ? ? +45226 ATOM N N . ASN AG 13 144 ? -24.007 23.782 -40.555 1.00 61.96 ? 147 ASN o N 1 ? ? +45227 ATOM C CA . ASN AG 13 144 ? -22.562 23.609 -40.573 1.00 60.83 ? 147 ASN o CA 1 ? ? +45228 ATOM C CB . ASN AG 13 144 ? -21.847 24.946 -40.523 1.00 60.88 ? 147 ASN o CB 1 ? ? +45229 ATOM C CG . ASN AG 13 144 ? -22.047 25.755 -41.763 1.00 61.41 ? 147 ASN o CG 1 ? ? +45230 ATOM O OD1 . ASN AG 13 144 ? -22.027 25.245 -42.879 1.00 61.30 ? 147 ASN o OD1 1 ? ? +45231 ATOM N ND2 . ASN AG 13 144 ? -22.264 27.034 -41.590 1.00 61.97 ? 147 ASN o ND2 1 ? ? +45232 ATOM C C . ASN AG 13 144 ? -22.084 22.752 -39.409 1.00 59.85 ? 147 ASN o C 1 ? ? +45233 ATOM O O . ASN AG 13 144 ? -22.661 22.787 -38.323 1.00 60.05 ? 147 ASN o O 1 ? ? +45234 ATOM N N . VAL AG 13 145 ? -21.012 21.992 -39.658 1.00 58.79 ? 148 VAL o N 1 ? ? +45235 ATOM C CA . VAL AG 13 145 ? -20.400 21.157 -38.643 1.00 57.70 ? 148 VAL o CA 1 ? ? +45236 ATOM C CB . VAL AG 13 145 ? -20.610 19.649 -38.901 1.00 57.21 ? 148 VAL o CB 1 ? ? +45237 ATOM C CG1 . VAL AG 13 145 ? -19.997 18.810 -37.781 1.00 56.37 ? 148 VAL o CG1 1 ? ? +45238 ATOM C CG2 . VAL AG 13 145 ? -22.099 19.335 -39.073 1.00 57.72 ? 148 VAL o CG2 1 ? ? +45239 ATOM C C . VAL AG 13 145 ? -18.926 21.536 -38.588 1.00 57.00 ? 148 VAL o C 1 ? ? +45240 ATOM O O . VAL AG 13 145 ? -18.110 20.999 -39.336 1.00 56.56 ? 148 VAL o O 1 ? ? +45241 ATOM N N . PRO AG 13 146 ? -18.545 22.497 -37.721 1.00 56.81 ? 149 PRO o N 1 ? ? +45242 ATOM C CA . PRO AG 13 146 ? -17.134 22.844 -37.570 1.00 56.12 ? 149 PRO o CA 1 ? ? +45243 ATOM C CB . PRO AG 13 146 ? -17.148 24.093 -36.695 1.00 56.54 ? 149 PRO o CB 1 ? ? +45244 ATOM C CG . PRO AG 13 146 ? -18.476 24.027 -35.955 1.00 57.01 ? 149 PRO o CG 1 ? ? +45245 ATOM C CD . PRO AG 13 146 ? -19.441 23.306 -36.872 1.00 57.29 ? 149 PRO o CD 1 ? ? +45246 ATOM C C . PRO AG 13 146 ? -16.383 21.701 -36.912 1.00 55.13 ? 149 PRO o C 1 ? ? +45247 ATOM O O . PRO AG 13 146 ? -16.989 20.787 -36.350 1.00 55.05 ? 149 PRO o O 1 ? ? +45248 ATOM N N . SER AG 13 147 ? -15.052 21.769 -37.017 1.00 54.29 ? 150 SER o N 1 ? ? +45249 ATOM C CA . SER AG 13 147 ? -14.165 20.881 -36.300 1.00 53.19 ? 150 SER o CA 1 ? ? +45250 ATOM C CB . SER AG 13 147 ? -12.742 21.417 -36.407 1.00 52.96 ? 150 SER o CB 1 ? ? +45251 ATOM O OG . SER AG 13 147 ? -11.829 20.654 -35.647 1.00 52.28 ? 150 SER o OG 1 ? ? +45252 ATOM C C . SER AG 13 147 ? -14.575 20.746 -34.839 1.00 52.85 ? 150 SER o C 1 ? ? +45253 ATOM O O . SER AG 13 147 ? -14.895 21.719 -34.168 1.00 53.19 ? 150 SER o O 1 ? ? +45254 ATOM N N . TYR AG 13 148 ? -14.549 19.511 -34.357 1.00 52.23 ? 151 TYR o N 1 ? ? +45255 ATOM C CA . TYR AG 13 148 ? -14.877 19.172 -32.981 1.00 51.93 ? 151 TYR o CA 1 ? ? +45256 ATOM C CB . TYR AG 13 148 ? -14.734 17.657 -32.865 1.00 51.41 ? 151 TYR o CB 1 ? ? +45257 ATOM C CG . TYR AG 13 148 ? -14.955 17.068 -31.503 1.00 51.18 ? 151 TYR o CG 1 ? ? +45258 ATOM C CD1 . TYR AG 13 148 ? -16.239 16.870 -31.008 1.00 51.51 ? 151 TYR o CD1 1 ? ? +45259 ATOM C CD2 . TYR AG 13 148 ? -13.882 16.665 -30.721 1.00 50.59 ? 151 TYR o CD2 1 ? ? +45260 ATOM C CE1 . TYR AG 13 148 ? -16.446 16.305 -29.759 1.00 51.33 ? 151 TYR o CE1 1 ? ? +45261 ATOM C CE2 . TYR AG 13 148 ? -14.073 16.102 -29.475 1.00 50.42 ? 151 TYR o CE2 1 ? ? +45262 ATOM C CZ . TYR AG 13 148 ? -15.354 15.921 -28.998 1.00 50.83 ? 151 TYR o CZ 1 ? ? +45263 ATOM O OH . TYR AG 13 148 ? -15.514 15.363 -27.767 1.00 50.79 ? 151 TYR o OH 1 ? ? +45264 ATOM C C . TYR AG 13 148 ? -14.007 19.923 -31.972 1.00 51.60 ? 151 TYR o C 1 ? ? +45265 ATOM O O . TYR AG 13 148 ? -14.531 20.476 -31.010 1.00 51.92 ? 151 TYR o O 1 ? ? +45266 ATOM N N A ARG AG 13 149 ? -12.689 19.937 -32.213 0.40 51.11 ? 152 ARG o N 1 ? ? +45267 ATOM N N B ARG AG 13 149 ? -12.686 19.922 -32.197 0.60 51.05 ? 152 ARG o N 1 ? ? +45268 ATOM C CA A ARG AG 13 149 ? -11.770 20.813 -31.504 0.40 50.97 ? 152 ARG o CA 1 ? ? +45269 ATOM C CA B ARG AG 13 149 ? -11.775 20.816 -31.498 0.60 50.89 ? 152 ARG o CA 1 ? ? +45270 ATOM C C A ARG AG 13 149 ? -11.526 22.062 -32.348 0.40 51.36 ? 152 ARG o C 1 ? ? +45271 ATOM C C B ARG AG 13 149 ? -11.567 22.065 -32.349 0.60 51.30 ? 152 ARG o C 1 ? ? +45272 ATOM O O A ARG AG 13 149 ? -11.477 21.976 -33.569 0.40 51.48 ? 152 ARG o O 1 ? ? +45273 ATOM O O B ARG AG 13 149 ? -11.569 21.976 -33.574 0.60 51.35 ? 152 ARG o O 1 ? ? +45274 ATOM C CB A ARG AG 13 149 ? -10.422 20.113 -31.238 0.40 50.29 ? 152 ARG o CB 1 ? ? +45275 ATOM C CB B ARG AG 13 149 ? -10.397 20.165 -31.249 0.60 50.21 ? 152 ARG o CB 1 ? ? +45276 ATOM C CG A ARG AG 13 149 ? -10.516 18.672 -30.770 0.40 49.76 ? 152 ARG o CG 1 ? ? +45277 ATOM C CG B ARG AG 13 149 ? -10.417 18.741 -30.732 0.60 49.64 ? 152 ARG o CG 1 ? ? +45278 ATOM C CD A ARG AG 13 149 ? -11.016 18.542 -29.354 0.40 49.73 ? 152 ARG o CD 1 ? ? +45279 ATOM C CD B ARG AG 13 149 ? -10.906 18.626 -29.313 0.60 49.59 ? 152 ARG o CD 1 ? ? +45280 ATOM N NE A ARG AG 13 149 ? -10.750 17.208 -28.831 0.40 49.18 ? 152 ARG o NE 1 ? ? +45281 ATOM N NE B ARG AG 13 149 ? -10.749 17.260 -28.830 0.60 49.06 ? 152 ARG o NE 1 ? ? +45282 ATOM C CZ A ARG AG 13 149 ? -10.982 16.828 -27.585 0.40 49.05 ? 152 ARG o CZ 1 ? ? +45283 ATOM C CZ B ARG AG 13 149 ? -10.934 16.874 -27.577 0.60 48.90 ? 152 ARG o CZ 1 ? ? +45284 ATOM N NH1 A ARG AG 13 149 ? -11.804 17.502 -26.799 0.40 49.46 ? 152 ARG o NH1 1 ? ? +45285 ATOM N NH1 B ARG AG 13 149 ? -11.692 17.567 -26.743 0.60 49.30 ? 152 ARG o NH1 1 ? ? +45286 ATOM N NH2 A ARG AG 13 149 ? -10.382 15.738 -27.118 0.40 48.55 ? 152 ARG o NH2 1 ? ? +45287 ATOM N NH2 B ARG AG 13 149 ? -10.352 15.759 -27.151 0.60 48.40 ? 152 ARG o NH2 1 ? ? +45288 ATOM N N . THR AG 13 150 ? -11.369 23.218 -31.694 1.00 51.62 ? 153 THR o N 1 ? ? +45289 ATOM C CA . THR AG 13 150 ? -11.060 24.455 -32.395 1.00 52.05 ? 153 THR o CA 1 ? ? +45290 ATOM C CB . THR AG 13 150 ? -11.880 25.614 -31.850 1.00 52.67 ? 153 THR o CB 1 ? ? +45291 ATOM O OG1 . THR AG 13 150 ? -11.366 25.970 -30.590 1.00 52.55 ? 153 THR o OG1 1 ? ? +45292 ATOM C CG2 . THR AG 13 150 ? -13.382 25.295 -31.761 1.00 52.98 ? 153 THR o CG2 1 ? ? +45293 ATOM C C . THR AG 13 150 ? -9.543 24.678 -32.395 1.00 51.73 ? 153 THR o C 1 ? ? +45294 ATOM O O . THR AG 13 150 ? -8.787 23.854 -31.897 1.00 51.14 ? 153 THR o O 1 ? ? +45295 ATOM N N . ALA AG 13 151 ? -9.100 25.793 -32.982 1.00 52.15 ? 154 ALA o N 1 ? ? +45296 ATOM C CA . ALA AG 13 151 ? -7.725 25.939 -33.427 1.00 51.94 ? 154 ALA o CA 1 ? ? +45297 ATOM C CB . ALA AG 13 151 ? -7.564 27.233 -34.182 1.00 52.51 ? 154 ALA o CB 1 ? ? +45298 ATOM C C . ALA AG 13 151 ? -6.664 25.869 -32.334 1.00 51.60 ? 154 ALA o C 1 ? ? +45299 ATOM O O . ALA AG 13 151 ? -5.555 25.436 -32.610 1.00 51.30 ? 154 ALA o O 1 ? ? +45300 ATOM N N A ASN AG 13 152 ? -7.019 26.266 -31.105 0.40 51.72 ? 155 ASN o N 1 ? ? +45301 ATOM N N B ASN AG 13 152 ? -6.994 26.313 -31.116 0.60 51.74 ? 155 ASN o N 1 ? ? +45302 ATOM C CA A ASN AG 13 152 ? -6.071 26.309 -30.000 0.40 51.43 ? 155 ASN o CA 1 ? ? +45303 ATOM C CA B ASN AG 13 152 ? -6.024 26.361 -30.029 0.60 51.43 ? 155 ASN o CA 1 ? ? +45304 ATOM C C A ASN AG 13 152 ? -5.813 24.969 -29.320 0.40 50.79 ? 155 ASN o C 1 ? ? +45305 ATOM C C B ASN AG 13 152 ? -5.749 25.013 -29.374 0.60 50.76 ? 155 ASN o C 1 ? ? +45306 ATOM O O A ASN AG 13 152 ? -4.944 24.873 -28.460 0.40 50.54 ? 155 ASN o O 1 ? ? +45307 ATOM O O B ASN AG 13 152 ? -4.803 24.890 -28.602 0.60 50.51 ? 155 ASN o O 1 ? ? +45308 ATOM C CB A ASN AG 13 152 ? -6.554 27.277 -28.925 0.40 51.84 ? 155 ASN o CB 1 ? ? +45309 ATOM C CB B ASN AG 13 152 ? -6.483 27.322 -28.923 0.60 51.85 ? 155 ASN o CB 1 ? ? +45310 ATOM C CG A ASN AG 13 152 ? -6.303 28.726 -29.234 0.40 52.42 ? 155 ASN o CG 1 ? ? +45311 ATOM C CG B ASN AG 13 152 ? -6.200 28.777 -29.181 0.60 52.41 ? 155 ASN o CG 1 ? ? +45312 ATOM O OD1 A ASN AG 13 152 ? -5.740 29.095 -30.266 0.40 52.57 ? 155 ASN o OD1 1 ? ? +45313 ATOM O OD1 B ASN AG 13 152 ? -5.589 29.179 -30.176 0.60 52.55 ? 155 ASN o OD1 1 ? ? +45314 ATOM N ND2 A ASN AG 13 152 ? -6.708 29.582 -28.321 0.40 52.80 ? 155 ASN o ND2 1 ? ? +45315 ATOM N ND2 B ASN AG 13 152 ? -6.639 29.606 -28.260 0.60 52.79 ? 155 ASN o ND2 1 ? ? +45316 ATOM N N A PHE AG 13 153 ? -6.584 23.942 -29.685 0.40 50.58 ? 156 PHE o N 1 ? ? +45317 ATOM N N B PHE AG 13 153 ? -6.589 24.011 -29.652 0.60 50.57 ? 156 PHE o N 1 ? ? +45318 ATOM C CA A PHE AG 13 153 ? -6.477 22.647 -29.030 0.40 50.01 ? 156 PHE o CA 1 ? ? +45319 ATOM C CA B PHE AG 13 153 ? -6.448 22.709 -29.017 0.60 49.97 ? 156 PHE o CA 1 ? ? +45320 ATOM C C A PHE AG 13 153 ? -5.108 22.014 -29.269 0.40 49.51 ? 156 PHE o C 1 ? ? +45321 ATOM C C B PHE AG 13 153 ? -5.039 22.153 -29.219 0.60 49.48 ? 156 PHE o C 1 ? ? +45322 ATOM O O A PHE AG 13 153 ? -4.670 21.893 -30.408 0.40 49.48 ? 156 PHE o O 1 ? ? +45323 ATOM O O B PHE AG 13 153 ? -4.509 22.194 -30.326 0.60 49.49 ? 156 PHE o O 1 ? ? +45324 ATOM C CB A PHE AG 13 153 ? -7.570 21.704 -29.524 0.40 49.93 ? 156 PHE o CB 1 ? ? +45325 ATOM C CB B PHE AG 13 153 ? -7.485 21.727 -29.560 0.60 49.86 ? 156 PHE o CB 1 ? ? +45326 ATOM C CG A PHE AG 13 153 ? -7.640 20.403 -28.770 0.40 49.45 ? 156 PHE o CG 1 ? ? +45327 ATOM C CG B PHE AG 13 153 ? -7.554 20.416 -28.816 0.60 49.37 ? 156 PHE o CG 1 ? ? +45328 ATOM C CD1 A PHE AG 13 153 ? -8.320 20.314 -27.566 0.40 49.52 ? 156 PHE o CD1 1 ? ? +45329 ATOM C CD1 B PHE AG 13 153 ? -8.232 20.317 -27.609 0.60 49.43 ? 156 PHE o CD1 1 ? ? +45330 ATOM C CD2 A PHE AG 13 153 ? -7.013 19.271 -29.253 0.40 48.96 ? 156 PHE o CD2 1 ? ? +45331 ATOM C CD2 B PHE AG 13 153 ? -6.942 19.282 -29.318 0.60 48.88 ? 156 PHE o CD2 1 ? ? +45332 ATOM C CE1 A PHE AG 13 153 ? -8.381 19.110 -26.875 0.40 49.10 ? 156 PHE o CE1 1 ? ? +45333 ATOM C CE1 B PHE AG 13 153 ? -8.300 19.099 -26.930 0.60 49.01 ? 156 PHE o CE1 1 ? ? +45334 ATOM C CE2 A PHE AG 13 153 ? -7.073 18.074 -28.558 0.40 48.55 ? 156 PHE o CE2 1 ? ? +45335 ATOM C CE2 B PHE AG 13 153 ? -7.004 18.076 -28.633 0.60 48.46 ? 156 PHE o CE2 1 ? ? +45336 ATOM C CZ A PHE AG 13 153 ? -7.762 17.997 -27.378 0.40 48.62 ? 156 PHE o CZ 1 ? ? +45337 ATOM C CZ B PHE AG 13 153 ? -7.687 17.989 -27.449 0.60 48.52 ? 156 PHE o CZ 1 ? ? +45338 ATOM N N A LEU AG 13 154 ? -4.459 21.596 -28.178 0.40 49.16 ? 157 LEU o N 1 ? ? +45339 ATOM N N B LEU AG 13 154 ? -4.446 21.642 -28.135 0.60 49.12 ? 157 LEU o N 1 ? ? +45340 ATOM C CA A LEU AG 13 154 ? -3.153 20.962 -28.233 0.40 48.69 ? 157 LEU o CA 1 ? ? +45341 ATOM C CA B LEU AG 13 154 ? -3.121 21.046 -28.168 0.60 48.65 ? 157 LEU o CA 1 ? ? +45342 ATOM C C A LEU AG 13 154 ? -3.259 19.455 -28.006 0.40 48.15 ? 157 LEU o C 1 ? ? +45343 ATOM C C B LEU AG 13 154 ? -3.223 19.537 -27.956 0.60 48.10 ? 157 LEU o C 1 ? ? +45344 ATOM O O A LEU AG 13 154 ? -3.867 19.016 -27.032 0.40 48.10 ? 157 LEU o O 1 ? ? +45345 ATOM O O B LEU AG 13 154 ? -3.837 19.084 -26.990 0.60 48.05 ? 157 LEU o O 1 ? ? +45346 ATOM C CB A LEU AG 13 154 ? -2.258 21.575 -27.154 0.40 48.73 ? 157 LEU o CB 1 ? ? +45347 ATOM C CB B LEU AG 13 154 ? -2.247 21.681 -27.070 0.60 48.70 ? 157 LEU o CB 1 ? ? +45348 ATOM C CG A LEU AG 13 154 ? -1.956 23.061 -27.298 0.40 49.23 ? 157 LEU o CG 1 ? ? +45349 ATOM C CG B LEU AG 13 154 ? -1.932 23.185 -27.204 0.60 49.22 ? 157 LEU o CG 1 ? ? +45350 ATOM C CD1 A LEU AG 13 154 ? -1.041 23.555 -26.191 0.40 49.23 ? 157 LEU o CD1 1 ? ? +45351 ATOM C CD1 B LEU AG 13 154 ? -0.971 23.659 -26.111 0.60 49.19 ? 157 LEU o CD1 1 ? ? +45352 ATOM C CD2 A LEU AG 13 154 ? -1.333 23.359 -28.628 0.40 49.34 ? 157 LEU o CD2 1 ? ? +45353 ATOM C CD2 B LEU AG 13 154 ? -1.338 23.514 -28.546 0.60 49.33 ? 157 LEU o CD2 1 ? ? +45354 ATOM N N A ASP AG 13 155 ? -2.650 18.664 -28.900 0.40 47.78 ? 158 ASP o N 1 ? ? +45355 ATOM N N B ASP AG 13 155 ? -2.608 18.759 -28.860 0.60 47.72 ? 158 ASP o N 1 ? ? +45356 ATOM C CA A ASP AG 13 155 ? -2.634 17.218 -28.747 0.40 47.26 ? 158 ASP o CA 1 ? ? +45357 ATOM C CA B ASP AG 13 155 ? -2.616 17.307 -28.753 0.60 47.19 ? 158 ASP o CA 1 ? ? +45358 ATOM C C A ASP AG 13 155 ? -1.662 16.848 -27.628 0.40 46.87 ? 158 ASP o C 1 ? ? +45359 ATOM C C B ASP AG 13 155 ? -1.680 16.895 -27.615 0.60 46.79 ? 158 ASP o C 1 ? ? +45360 ATOM O O A ASP AG 13 155 ? -1.005 17.721 -27.068 0.40 46.99 ? 158 ASP o O 1 ? ? +45361 ATOM O O B ASP AG 13 155 ? -1.038 17.750 -27.016 0.60 46.90 ? 158 ASP o O 1 ? ? +45362 ATOM C CB A ASP AG 13 155 ? -2.321 16.497 -30.082 0.40 47.06 ? 158 ASP o CB 1 ? ? +45363 ATOM C CB B ASP AG 13 155 ? -2.287 16.640 -30.119 0.60 46.99 ? 158 ASP o CB 1 ? ? +45364 ATOM C CG A ASP AG 13 155 ? -0.884 16.463 -30.562 0.40 46.88 ? 158 ASP o CG 1 ? ? +45365 ATOM C CG B ASP AG 13 155 ? -0.838 16.409 -30.496 0.60 46.71 ? 158 ASP o CG 1 ? ? +45366 ATOM O OD1 A ASP AG 13 155 ? 0.009 16.902 -29.808 0.40 46.86 ? 158 ASP o OD1 1 ? ? +45367 ATOM O OD1 B ASP AG 13 155 ? 0.043 16.650 -29.649 0.60 46.63 ? 158 ASP o OD1 1 ? ? +45368 ATOM O OD2 A ASP AG 13 155 ? -0.651 15.990 -31.691 0.40 46.76 ? 158 ASP o OD2 1 ? ? +45369 ATOM O OD2 B ASP AG 13 155 ? -0.588 15.977 -31.636 0.60 46.57 ? 158 ASP o OD2 1 ? ? +45370 ATOM N N A PRO AG 13 156 ? -1.601 15.562 -27.218 0.40 46.43 ? 159 PRO o N 1 ? ? +45371 ATOM N N B PRO AG 13 156 ? -1.627 15.597 -27.237 0.60 46.36 ? 159 PRO o N 1 ? ? +45372 ATOM C CA A PRO AG 13 156 ? -0.802 15.145 -26.064 0.40 46.14 ? 159 PRO o CA 1 ? ? +45373 ATOM C CA B PRO AG 13 156 ? -0.819 15.140 -26.102 0.60 46.09 ? 159 PRO o CA 1 ? ? +45374 ATOM C C A PRO AG 13 156 ? 0.710 15.354 -26.164 0.40 46.00 ? 159 PRO o C 1 ? ? +45375 ATOM C C B PRO AG 13 156 ? 0.686 15.413 -26.163 0.60 45.99 ? 159 PRO o C 1 ? ? +45376 ATOM O O A PRO AG 13 156 ? 1.403 15.279 -25.154 0.40 45.83 ? 159 PRO o O 1 ? ? +45377 ATOM O O B PRO AG 13 156 ? 1.347 15.446 -25.129 0.60 45.83 ? 159 PRO o O 1 ? ? +45378 ATOM C CB A PRO AG 13 156 ? -1.140 13.650 -25.945 0.40 45.77 ? 159 PRO o CB 1 ? ? +45379 ATOM C CB B PRO AG 13 156 ? -1.092 13.630 -26.087 0.60 45.71 ? 159 PRO o CB 1 ? ? +45380 ATOM C CG A PRO AG 13 156 ? -2.446 13.494 -26.657 0.40 45.96 ? 159 PRO o CG 1 ? ? +45381 ATOM C CG B PRO AG 13 156 ? -2.409 13.482 -26.756 0.60 45.88 ? 159 PRO o CG 1 ? ? +45382 ATOM C CD A PRO AG 13 156 ? -2.374 14.451 -27.791 0.40 46.25 ? 159 PRO o CD 1 ? ? +45383 ATOM C CD B PRO AG 13 156 ? -2.400 14.501 -27.840 0.60 46.20 ? 159 PRO o CD 1 ? ? +45384 ATOM N N . LYS AG 13 157 ? 1.212 15.609 -27.378 1.00 46.06 ? 160 LYS o N 1 ? ? +45385 ATOM C CA . LYS AG 13 157 ? 2.615 15.950 -27.572 1.00 46.04 ? 160 LYS o CA 1 ? ? +45386 ATOM C CB . LYS AG 13 157 ? 3.233 15.125 -28.713 1.00 45.69 ? 160 LYS o CB 1 ? ? +45387 ATOM C CG . LYS AG 13 157 ? 3.428 13.660 -28.367 1.00 45.20 ? 160 LYS o CG 1 ? ? +45388 ATOM C CD . LYS AG 13 157 ? 4.210 13.440 -27.076 1.00 45.06 ? 160 LYS o CD 1 ? ? +45389 ATOM C CE . LYS AG 13 157 ? 5.619 14.024 -27.145 1.00 45.18 ? 160 LYS o CE 1 ? ? +45390 ATOM N NZ . LYS AG 13 157 ? 6.486 13.536 -26.046 1.00 45.01 ? 160 LYS o NZ 1 ? ? +45391 ATOM C C . LYS AG 13 157 ? 2.811 17.440 -27.829 1.00 46.60 ? 160 LYS o C 1 ? ? +45392 ATOM O O . LYS AG 13 157 ? 3.882 17.850 -28.252 1.00 46.68 ? 160 LYS o O 1 ? ? +45393 ATOM N N A GLY AG 13 158 ? 1.769 18.242 -27.574 0.40 47.02 ? 161 GLY o N 1 ? ? +45394 ATOM N N B GLY AG 13 158 ? 1.785 18.248 -27.542 0.60 47.02 ? 161 GLY o N 1 ? ? +45395 ATOM C CA A GLY AG 13 158 ? 1.883 19.690 -27.619 0.40 47.57 ? 161 GLY o CA 1 ? ? +45396 ATOM C CA B GLY AG 13 158 ? 1.905 19.694 -27.620 0.60 47.57 ? 161 GLY o CA 1 ? ? +45397 ATOM C C A GLY AG 13 158 ? 1.750 20.318 -29.007 0.40 47.95 ? 161 GLY o C 1 ? ? +45398 ATOM C C B GLY AG 13 158 ? 1.794 20.303 -29.019 0.60 47.94 ? 161 GLY o C 1 ? ? +45399 ATOM O O A GLY AG 13 158 ? 2.048 21.497 -29.180 0.40 48.39 ? 161 GLY o O 1 ? ? +45400 ATOM O O B GLY AG 13 158 ? 2.146 21.463 -29.213 0.60 48.37 ? 161 GLY o O 1 ? ? +45401 ATOM N N . ARG AG 13 159 ? 1.285 19.530 -29.984 1.00 47.84 ? 162 ARG o N 1 ? ? +45402 ATOM C CA . ARG AG 13 159 ? 1.100 20.015 -31.342 1.00 48.25 ? 162 ARG o CA 1 ? ? +45403 ATOM C CB . ARG AG 13 159 ? 1.366 18.891 -32.348 1.00 48.06 ? 162 ARG o CB 1 ? ? +45404 ATOM C CG . ARG AG 13 159 ? 2.731 18.250 -32.223 1.00 47.75 ? 162 ARG o CG 1 ? ? +45405 ATOM C CD . ARG AG 13 159 ? 2.843 17.029 -33.082 1.00 47.51 ? 162 ARG o CD 1 ? ? +45406 ATOM N NE . ARG AG 13 159 ? 2.058 15.926 -32.545 1.00 47.30 ? 162 ARG o NE 1 ? ? +45407 ATOM C CZ . ARG AG 13 159 ? 2.099 14.680 -32.996 1.00 47.11 ? 162 ARG o CZ 1 ? ? +45408 ATOM N NH1 . ARG AG 13 159 ? 2.986 14.301 -33.903 1.00 47.07 ? 162 ARG o NH1 1 ? ? +45409 ATOM N NH2 . ARG AG 13 159 ? 1.229 13.788 -32.523 1.00 46.99 ? 162 ARG o NH2 1 ? ? +45410 ATOM C C . ARG AG 13 159 ? -0.319 20.541 -31.545 1.00 48.69 ? 162 ARG o C 1 ? ? +45411 ATOM O O . ARG AG 13 159 ? -1.273 19.995 -31.008 1.00 48.47 ? 162 ARG o O 1 ? ? +45412 ATOM N N . GLY AG 13 160 ? -0.448 21.599 -32.346 1.00 49.28 ? 163 GLY o N 1 ? ? +45413 ATOM C CA . GLY AG 13 160 ? -1.735 22.216 -32.584 1.00 49.79 ? 163 GLY o CA 1 ? ? +45414 ATOM C C . GLY AG 13 160 ? -1.736 23.014 -33.877 1.00 50.35 ? 163 GLY o C 1 ? ? +45415 ATOM O O . GLY AG 13 160 ? -0.765 22.968 -34.616 1.00 50.40 ? 163 GLY o O 1 ? ? +45416 ATOM N N . LEU AG 13 161 ? -2.819 23.755 -34.114 1.00 50.95 ? 164 LEU o N 1 ? ? +45417 ATOM C CA . LEU AG 13 161 ? -2.988 24.541 -35.322 1.00 51.57 ? 164 LEU o CA 1 ? ? +45418 ATOM C CB . LEU AG 13 161 ? -4.457 24.441 -35.779 1.00 51.93 ? 164 LEU o CB 1 ? ? +45419 ATOM C CG . LEU AG 13 161 ? -4.844 25.152 -37.053 1.00 52.50 ? 164 LEU o CG 1 ? ? +45420 ATOM C CD1 . LEU AG 13 161 ? -3.914 24.799 -38.194 1.00 52.38 ? 164 LEU o CD1 1 ? ? +45421 ATOM C CD2 . LEU AG 13 161 ? -6.293 24.779 -37.432 1.00 52.70 ? 164 LEU o CD2 1 ? ? +45422 ATOM C C . LEU AG 13 161 ? -2.583 25.995 -35.093 1.00 52.16 ? 164 LEU o C 1 ? ? +45423 ATOM O O . LEU AG 13 161 ? -1.599 26.461 -35.661 1.00 52.31 ? 164 LEU o O 1 ? ? +45424 ATOM N N . ALA AG 13 162 ? -3.342 26.707 -34.252 1.00 52.57 ? 165 ALA o N 1 ? ? +45425 ATOM C CA . ALA AG 13 162 ? -3.085 28.112 -33.974 1.00 53.13 ? 165 ALA o CA 1 ? ? +45426 ATOM C CB . ALA AG 13 162 ? -4.380 28.822 -33.639 1.00 53.56 ? 165 ALA o CB 1 ? ? +45427 ATOM C C . ALA AG 13 162 ? -2.090 28.271 -32.830 1.00 53.05 ? 165 ALA o C 1 ? ? +45428 ATOM O O . ALA AG 13 162 ? -1.673 29.377 -32.506 1.00 53.51 ? 165 ALA o O 1 ? ? +45429 ATOM N N . SER AG 13 163 ? -1.742 27.148 -32.201 1.00 52.60 ? 166 SER o N 1 ? ? +45430 ATOM C CA . SER AG 13 163 ? -0.737 27.129 -31.161 1.00 52.46 ? 166 SER o CA 1 ? ? +45431 ATOM C CB . SER AG 13 163 ? -1.356 27.425 -29.801 1.00 52.64 ? 166 SER o CB 1 ? ? +45432 ATOM O OG . SER AG 13 163 ? -0.357 27.482 -28.791 1.00 52.51 ? 166 SER o OG 1 ? ? +45433 ATOM C C . SER AG 13 163 ? -0.070 25.763 -31.177 1.00 51.86 ? 166 SER o C 1 ? ? +45434 ATOM O O . SER AG 13 163 ? -0.513 24.862 -31.873 1.00 51.69 ? 166 SER o O 1 ? ? +45435 ATOM N N . GLY AG 13 164 ? 1.015 25.617 -30.424 1.00 51.71 ? 167 GLY o N 1 ? ? +45436 ATOM C CA . GLY AG 13 164 ? 1.656 24.324 -30.283 1.00 51.18 ? 167 GLY o CA 1 ? ? +45437 ATOM C C . GLY AG 13 164 ? 2.899 24.154 -31.149 1.00 51.24 ? 167 GLY o C 1 ? ? +45438 ATOM O O . GLY AG 13 164 ? 3.242 25.008 -31.960 1.00 51.52 ? 167 GLY o O 1 ? ? +45439 ATOM N N . TYR AG 13 165 ? 3.569 23.026 -30.924 1.00 51.02 ? 168 TYR o N 1 ? ? +45440 ATOM C CA . TYR AG 13 165 ? 4.697 22.590 -31.718 1.00 51.09 ? 168 TYR o CA 1 ? ? +45441 ATOM C CB . TYR AG 13 165 ? 5.343 21.375 -31.063 1.00 50.52 ? 168 TYR o CB 1 ? ? +45442 ATOM C CG . TYR AG 13 165 ? 5.792 21.549 -29.632 1.00 50.42 ? 168 TYR o CG 1 ? ? +45443 ATOM C CD1 . TYR AG 13 165 ? 6.680 22.554 -29.276 1.00 50.80 ? 168 TYR o CD1 1 ? ? +45444 ATOM C CD2 . TYR AG 13 165 ? 5.369 20.677 -28.643 1.00 50.03 ? 168 TYR o CD2 1 ? ? +45445 ATOM C CE1 . TYR AG 13 165 ? 7.119 22.694 -27.967 1.00 50.77 ? 168 TYR o CE1 1 ? ? +45446 ATOM C CE2 . TYR AG 13 165 ? 5.798 20.808 -27.333 1.00 50.02 ? 168 TYR o CE2 1 ? ? +45447 ATOM C CZ . TYR AG 13 165 ? 6.679 21.815 -26.998 1.00 50.40 ? 168 TYR o CZ 1 ? ? +45448 ATOM O OH . TYR AG 13 165 ? 7.105 21.939 -25.702 1.00 50.51 ? 168 TYR o OH 1 ? ? +45449 ATOM C C . TYR AG 13 165 ? 4.252 22.219 -33.128 1.00 51.41 ? 168 TYR o C 1 ? ? +45450 ATOM O O . TYR AG 13 165 ? 3.112 21.816 -33.331 1.00 51.49 ? 168 TYR o O 1 ? ? +45451 ATOM N N . ASP AG 13 166 ? 5.170 22.329 -34.096 1.00 51.83 ? 169 ASP o N 1 ? ? +45452 ATOM C CA . ASP AG 13 166 ? 4.866 21.965 -35.466 1.00 52.13 ? 169 ASP o CA 1 ? ? +45453 ATOM C CB . ASP AG 13 166 ? 5.212 23.114 -36.419 1.00 52.97 ? 169 ASP o CB 1 ? ? +45454 ATOM C CG . ASP AG 13 166 ? 6.686 23.408 -36.675 1.00 53.55 ? 169 ASP o CG 1 ? ? +45455 ATOM O OD1 . ASP AG 13 166 ? 7.557 22.851 -35.938 1.00 53.46 ? 169 ASP o OD1 1 ? ? +45456 ATOM O OD2 . ASP AG 13 166 ? 6.976 24.180 -37.613 1.00 54.34 ? 169 ASP o OD2 1 ? ? +45457 ATOM C C . ASP AG 13 166 ? 5.561 20.669 -35.882 1.00 51.67 ? 169 ASP o C 1 ? ? +45458 ATOM O O . ASP AG 13 166 ? 5.635 20.367 -37.066 1.00 51.96 ? 169 ASP o O 1 ? ? +45459 ATOM N N . SER AG 13 167 ? 6.048 19.890 -34.910 1.00 51.15 ? 170 SER o N 1 ? ? +45460 ATOM C CA . SER AG 13 167 ? 6.782 18.670 -35.208 1.00 50.65 ? 170 SER o CA 1 ? ? +45461 ATOM C CB . SER AG 13 167 ? 8.212 18.978 -35.642 1.00 50.88 ? 170 SER o CB 1 ? ? +45462 ATOM O OG . SER AG 13 167 ? 8.912 19.599 -34.584 1.00 51.18 ? 170 SER o OG 1 ? ? +45463 ATOM C C . SER AG 13 167 ? 6.795 17.732 -34.008 1.00 49.95 ? 170 SER o C 1 ? ? +45464 ATOM O O . SER AG 13 167 ? 6.323 18.102 -32.938 1.00 50.09 ? 170 SER o O 1 ? ? +45465 ATOM N N . ALA AG 13 168 ? 7.305 16.514 -34.221 1.00 49.26 ? 171 ALA o N 1 ? ? +45466 ATOM C CA . ALA AG 13 168 ? 7.392 15.513 -33.175 1.00 48.67 ? 171 ALA o CA 1 ? ? +45467 ATOM C CB . ALA AG 13 168 ? 7.309 14.126 -33.772 1.00 48.27 ? 171 ALA o CB 1 ? ? +45468 ATOM C C . ALA AG 13 168 ? 8.695 15.687 -32.406 1.00 48.64 ? 171 ALA o C 1 ? ? +45469 ATOM O O . ALA AG 13 168 ? 9.682 15.018 -32.708 1.00 48.55 ? 171 ALA o O 1 ? ? +45470 ATOM N N . ILE AG 13 169 ? 8.688 16.569 -31.400 1.00 48.84 ? 172 ILE o N 1 ? ? +45471 ATOM C CA . ILE AG 13 169 ? 9.924 16.982 -30.753 1.00 49.07 ? 172 ILE o CA 1 ? ? +45472 ATOM C CB . ILE AG 13 169 ? 9.721 18.207 -29.836 1.00 49.34 ? 172 ILE o CB 1 ? ? +45473 ATOM C CG1 . ILE AG 13 169 ? 8.875 17.881 -28.603 1.00 49.07 ? 172 ILE o CG1 1 ? ? +45474 ATOM C CG2 . ILE AG 13 169 ? 9.161 19.378 -30.648 1.00 49.80 ? 172 ILE o CG2 1 ? ? +45475 ATOM C CD1 . ILE AG 13 169 ? 8.934 18.938 -27.552 1.00 49.34 ? 172 ILE o CD1 1 ? ? +45476 ATOM C C . ILE AG 13 169 ? 10.651 15.871 -29.999 1.00 48.78 ? 172 ILE o C 1 ? ? +45477 ATOM O O . ILE AG 13 169 ? 11.858 15.974 -29.777 1.00 49.16 ? 172 ILE o O 1 ? ? +45478 ATOM N N . ALA AG 13 170 ? 9.922 14.818 -29.610 1.00 48.38 ? 173 ALA o N 1 ? ? +45479 ATOM C CA . ALA AG 13 170 ? 10.508 13.674 -28.925 1.00 47.96 ? 173 ALA o CA 1 ? ? +45480 ATOM C CB . ALA AG 13 170 ? 9.436 12.879 -28.195 1.00 47.51 ? 173 ALA o CB 1 ? ? +45481 ATOM C C . ALA AG 13 170 ? 11.291 12.746 -29.853 1.00 47.94 ? 173 ALA o C 1 ? ? +45482 ATOM O O . ALA AG 13 170 ? 12.025 11.891 -29.367 1.00 47.79 ? 173 ALA o O 1 ? ? +45483 ATOM N N . LEU AG 13 171 ? 11.124 12.917 -31.172 1.00 48.35 ? 174 LEU o N 1 ? ? +45484 ATOM C CA . LEU AG 13 171 ? 11.871 12.171 -32.176 1.00 48.42 ? 174 LEU o CA 1 ? ? +45485 ATOM C CB . LEU AG 13 171 ? 10.898 11.392 -33.050 1.00 48.43 ? 174 LEU o CB 1 ? ? +45486 ATOM C CG . LEU AG 13 171 ? 9.922 10.514 -32.265 1.00 48.31 ? 174 LEU o CG 1 ? ? +45487 ATOM C CD1 . LEU AG 13 171 ? 8.767 10.065 -33.112 1.00 48.39 ? 174 LEU o CD1 1 ? ? +45488 ATOM C CD2 . LEU AG 13 171 ? 10.623 9.334 -31.705 1.00 48.05 ? 174 LEU o CD2 1 ? ? +45489 ATOM C C . LEU AG 13 171 ? 12.710 13.135 -33.013 1.00 48.87 ? 174 LEU o C 1 ? ? +45490 ATOM O O . LEU AG 13 171 ? 12.430 13.358 -34.188 1.00 49.12 ? 174 LEU o O 1 ? ? +45491 ATOM N N . PRO AG 13 172 ? 13.770 13.739 -32.427 1.00 49.02 ? 175 PRO o N 1 ? ? +45492 ATOM C CA . PRO AG 13 172 ? 14.507 14.821 -33.084 1.00 49.64 ? 175 PRO o CA 1 ? ? +45493 ATOM C CB . PRO AG 13 172 ? 15.734 14.989 -32.182 1.00 49.69 ? 175 PRO o CB 1 ? ? +45494 ATOM C CG . PRO AG 13 172 ? 15.274 14.512 -30.857 1.00 49.38 ? 175 PRO o CG 1 ? ? +45495 ATOM C CD . PRO AG 13 172 ? 14.312 13.407 -31.102 1.00 48.82 ? 175 PRO o CD 1 ? ? +45496 ATOM C C . PRO AG 13 172 ? 14.943 14.583 -34.526 1.00 49.87 ? 175 PRO o C 1 ? ? +45497 ATOM O O . PRO AG 13 172 ? 14.918 15.493 -35.339 1.00 49.87 ? 175 PRO o O 1 ? ? +45498 ATOM N N . GLN AG 13 173 ? 15.372 13.358 -34.825 1.00 50.34 ? 176 GLN o N 1 ? ? +45499 ATOM C CA . GLN AG 13 173 ? 15.964 13.052 -36.115 1.00 51.14 ? 176 GLN o CA 1 ? ? +45500 ATOM C CB . GLN AG 13 173 ? 17.453 12.655 -35.923 1.00 50.96 ? 176 GLN o CB 1 ? ? +45501 ATOM C CG . GLN AG 13 173 ? 18.352 13.829 -35.570 1.00 51.13 ? 176 GLN o CG 1 ? ? +45502 ATOM C CD . GLN AG 13 173 ? 18.707 14.634 -36.791 1.00 51.59 ? 176 GLN o CD 1 ? ? +45503 ATOM O OE1 . GLN AG 13 173 ? 17.856 15.192 -37.475 1.00 51.59 ? 176 GLN o OE1 1 ? ? +45504 ATOM N NE2 . GLN AG 13 173 ? 19.993 14.711 -37.111 1.00 51.98 ? 176 GLN o NE2 1 ? ? +45505 ATOM C C . GLN AG 13 173 ? 15.196 11.959 -36.846 1.00 51.95 ? 176 GLN o C 1 ? ? +45506 ATOM O O . GLN AG 13 173 ? 15.756 11.272 -37.701 1.00 52.27 ? 176 GLN o O 1 ? ? +45507 ATOM N N . ALA AG 13 174 ? 13.910 11.805 -36.512 1.00 52.85 ? 177 ALA o N 1 ? ? +45508 ATOM C CA . ALA AG 13 174 ? 13.035 10.961 -37.303 1.00 54.05 ? 177 ALA o CA 1 ? ? +45509 ATOM C CB . ALA AG 13 174 ? 11.756 10.667 -36.542 1.00 54.21 ? 177 ALA o CB 1 ? ? +45510 ATOM C C . ALA AG 13 174 ? 12.718 11.662 -38.619 1.00 55.98 ? 177 ALA o C 1 ? ? +45511 ATOM O O . ALA AG 13 174 ? 12.738 12.884 -38.683 1.00 57.14 ? 177 ALA o O 1 ? ? +45512 ATOM N N . LYS AG 13 175 ? 12.416 10.886 -39.662 1.00 58.29 ? 178 LYS o N 1 ? ? +45513 ATOM C CA . LYS AG 13 175 ? 11.934 11.454 -40.912 1.00 61.23 ? 178 LYS o CA 1 ? ? +45514 ATOM C CB . LYS AG 13 175 ? 11.974 10.416 -42.052 1.00 62.70 ? 178 LYS o CB 1 ? ? +45515 ATOM C CG . LYS AG 13 175 ? 13.385 10.213 -42.565 1.00 64.70 ? 178 LYS o CG 1 ? ? +45516 ATOM C CD . LYS AG 13 175 ? 13.503 9.587 -43.962 1.00 65.76 ? 178 LYS o CD 1 ? ? +45517 ATOM C CE . LYS AG 13 175 ? 14.911 9.821 -44.502 1.00 66.39 ? 178 LYS o CE 1 ? ? +45518 ATOM N NZ . LYS AG 13 175 ? 15.973 9.350 -43.555 1.00 65.68 ? 178 LYS o NZ 1 ? ? +45519 ATOM C C . LYS AG 13 175 ? 10.532 12.039 -40.738 1.00 62.46 ? 178 LYS o C 1 ? ? +45520 ATOM O O . LYS AG 13 175 ? 9.596 11.334 -40.386 1.00 61.18 ? 178 LYS o O 1 ? ? +45521 ATOM N N . GLU AG 13 176 ? 10.420 13.345 -40.997 1.00 65.17 ? 179 GLU o N 1 ? ? +45522 ATOM C CA . GLU AG 13 176 ? 9.202 14.101 -40.776 1.00 67.68 ? 179 GLU o CA 1 ? ? +45523 ATOM C CB . GLU AG 13 176 ? 9.477 15.593 -41.019 1.00 70.10 ? 179 GLU o CB 1 ? ? +45524 ATOM C CG . GLU AG 13 176 ? 10.439 16.217 -40.028 1.00 72.55 ? 179 GLU o CG 1 ? ? +45525 ATOM C CD . GLU AG 13 176 ? 10.889 17.618 -40.399 1.00 77.35 ? 179 GLU o CD 1 ? ? +45526 ATOM O OE1 . GLU AG 13 176 ? 10.285 18.202 -41.331 1.00 78.36 ? 179 GLU o OE1 1 ? ? +45527 ATOM O OE2 . GLU AG 13 176 ? 11.862 18.123 -39.784 1.00 82.55 ? 179 GLU o OE2 1 ? ? +45528 ATOM C C . GLU AG 13 176 ? 8.048 13.658 -41.671 1.00 68.13 ? 179 GLU o C 1 ? ? +45529 ATOM O O . GLU AG 13 176 ? 6.898 13.652 -41.234 1.00 66.59 ? 179 GLU o O 1 ? ? +45530 ATOM N N . GLU AG 13 177 ? 8.379 13.287 -42.916 1.00 69.85 ? 180 GLU o N 1 ? ? +45531 ATOM C CA . GLU AG 13 177 ? 7.387 12.955 -43.931 1.00 72.08 ? 180 GLU o CA 1 ? ? +45532 ATOM C CB . GLU AG 13 177 ? 8.043 12.459 -45.249 1.00 73.27 ? 180 GLU o CB 1 ? ? +45533 ATOM C CG . GLU AG 13 177 ? 9.215 13.283 -45.775 1.00 75.92 ? 180 GLU o CG 1 ? ? +45534 ATOM C CD . GLU AG 13 177 ? 10.597 12.860 -45.277 1.00 76.74 ? 180 GLU o CD 1 ? ? +45535 ATOM O OE1 . GLU AG 13 177 ? 10.878 11.638 -45.275 1.00 76.22 ? 180 GLU o OE1 1 ? ? +45536 ATOM O OE2 . GLU AG 13 177 ? 11.405 13.747 -44.913 1.00 75.69 ? 180 GLU o OE2 1 ? ? +45537 ATOM C C . GLU AG 13 177 ? 6.384 11.892 -43.477 1.00 71.32 ? 180 GLU o C 1 ? ? +45538 ATOM O O . GLU AG 13 177 ? 5.215 11.952 -43.849 1.00 68.46 ? 180 GLU o O 1 ? ? +45539 ATOM N N . GLU AG 13 178 ? 6.855 10.921 -42.684 1.00 72.18 ? 181 GLU o N 1 ? ? +45540 ATOM C CA . GLU AG 13 178 ? 6.028 9.825 -42.201 1.00 73.93 ? 181 GLU o CA 1 ? ? +45541 ATOM C CB . GLU AG 13 178 ? 6.897 8.764 -41.499 1.00 79.69 ? 181 GLU o CB 1 ? ? +45542 ATOM C CG . GLU AG 13 178 ? 7.957 8.099 -42.357 1.00 85.74 ? 181 GLU o CG 1 ? ? +45543 ATOM C CD . GLU AG 13 178 ? 8.905 7.192 -41.587 1.00 92.76 ? 181 GLU o CD 1 ? ? +45544 ATOM O OE1 . GLU AG 13 178 ? 8.730 7.022 -40.355 1.00 98.76 ? 181 GLU o OE1 1 ? ? +45545 ATOM O OE2 . GLU AG 13 178 ? 9.835 6.650 -42.228 1.00 95.43 ? 181 GLU o OE2 1 ? ? +45546 ATOM C C . GLU AG 13 178 ? 4.972 10.280 -41.195 1.00 70.32 ? 181 GLU o C 1 ? ? +45547 ATOM O O . GLU AG 13 178 ? 3.995 9.571 -40.966 1.00 69.09 ? 181 GLU o O 1 ? ? +45548 ATOM N N . LEU AG 13 179 ? 5.212 11.446 -40.573 1.00 66.88 ? 182 LEU o N 1 ? ? +45549 ATOM C CA . LEU AG 13 179 ? 4.413 11.958 -39.470 1.00 63.56 ? 182 LEU o CA 1 ? ? +45550 ATOM C CB . LEU AG 13 179 ? 5.361 12.286 -38.306 1.00 62.71 ? 182 LEU o CB 1 ? ? +45551 ATOM C CG . LEU AG 13 179 ? 6.157 11.106 -37.764 1.00 62.07 ? 182 LEU o CG 1 ? ? +45552 ATOM C CD1 . LEU AG 13 179 ? 7.251 11.552 -36.824 1.00 61.53 ? 182 LEU o CD1 1 ? ? +45553 ATOM C CD2 . LEU AG 13 179 ? 5.245 10.129 -37.082 1.00 61.66 ? 182 LEU o CD2 1 ? ? +45554 ATOM C C . LEU AG 13 179 ? 3.612 13.207 -39.835 1.00 62.27 ? 182 LEU o C 1 ? ? +45555 ATOM O O . LEU AG 13 179 ? 2.997 13.821 -38.971 1.00 61.55 ? 182 LEU o O 1 ? ? +45556 ATOM N N . ALA AG 13 180 ? 3.608 13.576 -41.119 1.00 61.45 ? 183 ALA o N 1 ? ? +45557 ATOM C CA . ALA AG 13 180 ? 2.970 14.805 -41.558 1.00 61.97 ? 183 ALA o CA 1 ? ? +45558 ATOM C CB . ALA AG 13 180 ? 3.135 14.965 -43.058 1.00 62.15 ? 183 ALA o CB 1 ? ? +45559 ATOM C C . ALA AG 13 180 ? 1.485 14.869 -41.198 1.00 62.53 ? 183 ALA o C 1 ? ? +45560 ATOM O O . ALA AG 13 180 ? 0.967 15.923 -40.846 1.00 62.38 ? 183 ALA o O 1 ? ? +45561 ATOM N N . ARG AG 13 181 ? 0.786 13.738 -41.289 1.00 63.17 ? 184 ARG o N 1 ? ? +45562 ATOM C CA . ARG AG 13 181 ? -0.648 13.762 -41.075 1.00 64.24 ? 184 ARG o CA 1 ? ? +45563 ATOM C CB . ARG AG 13 181 ? -1.312 12.473 -41.554 1.00 67.55 ? 184 ARG o CB 1 ? ? +45564 ATOM C CG . ARG AG 13 181 ? -2.799 12.670 -41.752 1.00 72.04 ? 184 ARG o CG 1 ? ? +45565 ATOM C CD . ARG AG 13 181 ? -3.489 11.431 -42.308 1.00 76.33 ? 184 ARG o CD 1 ? ? +45566 ATOM N NE . ARG AG 13 181 ? -4.942 11.513 -42.157 1.00 80.28 ? 184 ARG o NE 1 ? ? +45567 ATOM C CZ . ARG AG 13 181 ? -5.834 11.205 -43.096 1.00 84.72 ? 184 ARG o CZ 1 ? ? +45568 ATOM N NH1 . ARG AG 13 181 ? -5.466 10.934 -44.338 1.00 86.58 ? 184 ARG o NH1 1 ? ? +45569 ATOM N NH2 . ARG AG 13 181 ? -7.130 11.198 -42.784 1.00 86.39 ? 184 ARG o NH2 1 ? ? +45570 ATOM C C . ARG AG 13 181 ? -0.980 14.023 -39.609 1.00 61.58 ? 184 ARG o C 1 ? ? +45571 ATOM O O . ARG AG 13 181 ? -2.061 14.524 -39.314 1.00 62.94 ? 184 ARG o O 1 ? ? +45572 ATOM N N . ALA AG 13 182 ? -0.054 13.679 -38.705 1.00 58.27 ? 185 ALA o N 1 ? ? +45573 ATOM C CA . ALA AG 13 182 ? -0.217 13.918 -37.280 1.00 56.32 ? 185 ALA o CA 1 ? ? +45574 ATOM C CB . ALA AG 13 182 ? 0.437 12.790 -36.509 1.00 56.07 ? 185 ALA o CB 1 ? ? +45575 ATOM C C . ALA AG 13 182 ? 0.356 15.255 -36.813 1.00 55.33 ? 185 ALA o C 1 ? ? +45576 ATOM O O . ALA AG 13 182 ? -0.061 15.792 -35.797 1.00 55.21 ? 185 ALA o O 1 ? ? +45577 ATOM N N . ASN AG 13 183 ? 1.345 15.778 -37.538 1.00 54.65 ? 186 ASN o N 1 ? ? +45578 ATOM C CA . ASN AG 13 183 ? 1.990 17.025 -37.166 1.00 54.08 ? 186 ASN o CA 1 ? ? +45579 ATOM C CB . ASN AG 13 183 ? 3.396 17.088 -37.732 1.00 53.66 ? 186 ASN o CB 1 ? ? +45580 ATOM C CG . ASN AG 13 183 ? 4.353 16.203 -37.011 1.00 52.75 ? 186 ASN o CG 1 ? ? +45581 ATOM O OD1 . ASN AG 13 183 ? 4.191 15.842 -35.854 1.00 52.11 ? 186 ASN o OD1 1 ? ? +45582 ATOM N ND2 . ASN AG 13 183 ? 5.383 15.845 -37.691 1.00 52.62 ? 186 ASN o ND2 1 ? ? +45583 ATOM C C . ASN AG 13 183 ? 1.217 18.244 -37.642 1.00 54.35 ? 186 ASN o C 1 ? ? +45584 ATOM O O . ASN AG 13 183 ? 1.181 19.256 -36.951 1.00 54.86 ? 186 ASN o O 1 ? ? +45585 ATOM N N . VAL AG 13 184 ? 0.611 18.134 -38.827 1.00 54.35 ? 187 VAL o N 1 ? ? +45586 ATOM C CA . VAL AG 13 184 ? -0.079 19.251 -39.442 1.00 54.68 ? 187 VAL o CA 1 ? ? +45587 ATOM C CB . VAL AG 13 184 ? 0.235 19.335 -40.945 1.00 54.87 ? 187 VAL o CB 1 ? ? +45588 ATOM C CG1 . VAL AG 13 184 ? -0.459 20.532 -41.562 1.00 55.56 ? 187 VAL o CG1 1 ? ? +45589 ATOM C CG2 . VAL AG 13 184 ? 1.745 19.387 -41.204 1.00 54.72 ? 187 VAL o CG2 1 ? ? +45590 ATOM C C . VAL AG 13 184 ? -1.575 19.133 -39.174 1.00 54.64 ? 187 VAL o C 1 ? ? +45591 ATOM O O . VAL AG 13 184 ? -2.269 18.339 -39.792 1.00 54.43 ? 187 VAL o O 1 ? ? +45592 ATOM N N . LYS AG 13 185 ? -2.062 19.943 -38.239 1.00 54.88 ? 188 LYS o N 1 ? ? +45593 ATOM C CA . LYS AG 13 185 ? -3.459 19.930 -37.860 1.00 54.75 ? 188 LYS o CA 1 ? ? +45594 ATOM C CB . LYS AG 13 185 ? -3.659 20.611 -36.513 1.00 54.38 ? 188 LYS o CB 1 ? ? +45595 ATOM C CG . LYS AG 13 185 ? -2.768 20.087 -35.413 1.00 53.63 ? 188 LYS o CG 1 ? ? +45596 ATOM C CD . LYS AG 13 185 ? -2.697 18.568 -35.328 1.00 52.92 ? 188 LYS o CD 1 ? ? +45597 ATOM C CE . LYS AG 13 185 ? -1.936 18.116 -34.124 1.00 52.29 ? 188 LYS o CE 1 ? ? +45598 ATOM N NZ . LYS AG 13 185 ? -1.941 16.649 -34.020 1.00 51.80 ? 188 LYS o NZ 1 ? ? +45599 ATOM C C . LYS AG 13 185 ? -4.257 20.644 -38.939 1.00 55.84 ? 188 LYS o C 1 ? ? +45600 ATOM O O . LYS AG 13 185 ? -3.808 21.651 -39.480 1.00 56.27 ? 188 LYS o O 1 ? ? +45601 ATOM N N . ARG AG 13 186 ? -5.444 20.103 -39.234 1.00 56.67 ? 189 ARG o N 1 ? ? +45602 ATOM C CA . ARG AG 13 186 ? -6.342 20.681 -40.217 1.00 57.86 ? 189 ARG o CA 1 ? ? +45603 ATOM C CB . ARG AG 13 186 ? -6.466 19.785 -41.434 1.00 59.53 ? 189 ARG o CB 1 ? ? +45604 ATOM C CG . ARG AG 13 186 ? -5.170 19.744 -42.232 1.00 62.00 ? 189 ARG o CG 1 ? ? +45605 ATOM C CD . ARG AG 13 186 ? -5.276 18.820 -43.420 1.00 64.74 ? 189 ARG o CD 1 ? ? +45606 ATOM N NE . ARG AG 13 186 ? -5.244 17.415 -43.024 1.00 67.20 ? 189 ARG o NE 1 ? ? +45607 ATOM C CZ . ARG AG 13 186 ? -5.635 16.405 -43.795 1.00 69.54 ? 189 ARG o CZ 1 ? ? +45608 ATOM N NH1 . ARG AG 13 186 ? -6.151 16.610 -44.996 1.00 70.51 ? 189 ARG o NH1 1 ? ? +45609 ATOM N NH2 . ARG AG 13 186 ? -5.512 15.158 -43.341 1.00 70.49 ? 189 ARG o NH2 1 ? ? +45610 ATOM C C . ARG AG 13 186 ? -7.698 20.897 -39.569 1.00 57.03 ? 189 ARG o C 1 ? ? +45611 ATOM O O . ARG AG 13 186 ? -8.141 20.055 -38.803 1.00 56.61 ? 189 ARG o O 1 ? ? +45612 ATOM N N . PHE AG 13 187 ? -8.325 22.034 -39.888 1.00 56.94 ? 190 PHE o N 1 ? ? +45613 ATOM C CA . PHE AG 13 187 ? -9.640 22.383 -39.374 1.00 56.80 ? 190 PHE o CA 1 ? ? +45614 ATOM C CB . PHE AG 13 187 ? -9.647 23.868 -38.977 1.00 56.97 ? 190 PHE o CB 1 ? ? +45615 ATOM C CG . PHE AG 13 187 ? -10.796 24.326 -38.130 1.00 57.08 ? 190 PHE o CG 1 ? ? +45616 ATOM C CD1 . PHE AG 13 187 ? -12.076 24.428 -38.662 1.00 57.62 ? 190 PHE o CD1 1 ? ? +45617 ATOM C CD2 . PHE AG 13 187 ? -10.604 24.674 -36.807 1.00 56.80 ? 190 PHE o CD2 1 ? ? +45618 ATOM C CE1 . PHE AG 13 187 ? -13.148 24.843 -37.872 1.00 57.84 ? 190 PHE o CE1 1 ? ? +45619 ATOM C CE2 . PHE AG 13 187 ? -11.671 25.097 -36.024 1.00 57.22 ? 190 PHE o CE2 1 ? ? +45620 ATOM C CZ . PHE AG 13 187 ? -12.943 25.176 -36.560 1.00 57.69 ? 190 PHE o CZ 1 ? ? +45621 ATOM C C . PHE AG 13 187 ? -10.667 22.072 -40.458 1.00 56.95 ? 190 PHE o C 1 ? ? +45622 ATOM O O . PHE AG 13 187 ? -10.693 22.725 -41.491 1.00 57.26 ? 190 PHE o O 1 ? ? +45623 ATOM N N . SER AG 13 188 ? -11.497 21.055 -40.244 1.00 56.93 ? 191 SER o N 1 ? ? +45624 ATOM C CA . SER AG 13 188 ? -12.539 20.754 -41.216 1.00 57.45 ? 191 SER o CA 1 ? ? +45625 ATOM C CB . SER AG 13 188 ? -12.852 19.263 -41.269 1.00 57.17 ? 191 SER o CB 1 ? ? +45626 ATOM O OG . SER AG 13 188 ? -13.354 18.810 -40.032 1.00 57.06 ? 191 SER o OG 1 ? ? +45627 ATOM C C . SER AG 13 188 ? -13.809 21.544 -40.931 1.00 57.86 ? 191 SER o C 1 ? ? +45628 ATOM O O . SER AG 13 188 ? -14.075 21.915 -39.794 1.00 57.60 ? 191 SER o O 1 ? ? +45629 ATOM N N . LEU AG 13 189 ? -14.564 21.814 -41.996 1.00 58.73 ? 192 LEU o N 1 ? ? +45630 ATOM C CA . LEU AG 13 189 ? -15.889 22.397 -41.889 1.00 59.54 ? 192 LEU o CA 1 ? ? +45631 ATOM C CB . LEU AG 13 189 ? -15.827 23.903 -42.132 1.00 60.35 ? 192 LEU o CB 1 ? ? +45632 ATOM C CG . LEU AG 13 189 ? -17.157 24.639 -42.169 1.00 61.53 ? 192 LEU o CG 1 ? ? +45633 ATOM C CD1 . LEU AG 13 189 ? -18.099 24.184 -41.097 1.00 61.61 ? 192 LEU o CD1 1 ? ? +45634 ATOM C CD2 . LEU AG 13 189 ? -16.970 26.119 -41.939 1.00 62.15 ? 192 LEU o CD2 1 ? ? +45635 ATOM C C . LEU AG 13 189 ? -16.765 21.700 -42.919 1.00 59.85 ? 192 LEU o C 1 ? ? +45636 ATOM O O . LEU AG 13 189 ? -16.585 21.913 -44.109 1.00 59.91 ? 192 LEU o O 1 ? ? +45637 ATOM N N . THR AG 13 190 ? -17.688 20.850 -42.447 1.00 60.21 ? 193 THR o N 1 ? ? +45638 ATOM C CA . THR AG 13 190 ? -18.548 20.056 -43.313 1.00 60.77 ? 193 THR o CA 1 ? ? +45639 ATOM C CB . THR AG 13 190 ? -18.309 18.566 -43.083 1.00 60.24 ? 193 THR o CB 1 ? ? +45640 ATOM O OG1 . THR AG 13 190 ? -18.484 18.282 -41.703 1.00 60.48 ? 193 THR o OG1 1 ? ? +45641 ATOM C CG2 . THR AG 13 190 ? -16.934 18.130 -43.495 1.00 59.63 ? 193 THR o CG2 1 ? ? +45642 ATOM C C . THR AG 13 190 ? -20.008 20.436 -43.082 1.00 61.50 ? 193 THR o C 1 ? ? +45643 ATOM O O . THR AG 13 190 ? -20.293 21.278 -42.244 1.00 61.46 ? 193 THR o O 1 ? ? +45644 ATOM N N . LYS AG 13 191 ? -20.912 19.812 -43.844 1.00 62.35 ? 194 LYS o N 1 ? ? +45645 ATOM C CA . LYS AG 13 191 ? -22.334 20.101 -43.792 1.00 63.45 ? 194 LYS o CA 1 ? ? +45646 ATOM C CB . LYS AG 13 191 ? -22.851 20.437 -45.188 1.00 64.88 ? 194 LYS o CB 1 ? ? +45647 ATOM C CG . LYS AG 13 191 ? -22.203 21.644 -45.844 1.00 66.12 ? 194 LYS o CG 1 ? ? +45648 ATOM C CD . LYS AG 13 191 ? -22.847 22.971 -45.436 1.00 67.90 ? 194 LYS o CD 1 ? ? +45649 ATOM C CE . LYS AG 13 191 ? -22.324 24.182 -46.210 1.00 69.07 ? 194 LYS o CE 1 ? ? +45650 ATOM N NZ . LYS AG 13 191 ? -20.853 24.427 -45.948 1.00 68.91 ? 194 LYS o NZ 1 ? ? +45651 ATOM C C . LYS AG 13 191 ? -23.104 18.897 -43.259 1.00 63.07 ? 194 LYS o C 1 ? ? +45652 ATOM O O . LYS AG 13 191 ? -22.667 17.760 -43.411 1.00 62.56 ? 194 LYS o O 1 ? ? +45653 ATOM N N . GLY AG 13 192 ? -24.248 19.164 -42.630 1.00 63.41 ? 195 GLY o N 1 ? ? +45654 ATOM C CA . GLY AG 13 192 ? -25.172 18.116 -42.240 1.00 63.80 ? 195 GLY o CA 1 ? ? +45655 ATOM C C . GLY AG 13 192 ? -26.593 18.429 -42.688 1.00 65.05 ? 195 GLY o C 1 ? ? +45656 ATOM O O . GLY AG 13 192 ? -26.887 19.572 -43.021 1.00 65.53 ? 195 GLY o O 1 ? ? +45657 ATOM N N . GLN AG 13 193 ? -27.453 17.399 -42.692 1.00 65.93 ? 196 GLN o N 1 ? ? +45658 ATOM C CA . GLN AG 13 193 ? -28.851 17.521 -43.082 1.00 67.29 ? 196 GLN o CA 1 ? ? +45659 ATOM C CB . GLN AG 13 193 ? -29.185 16.601 -44.276 1.00 69.31 ? 196 GLN o CB 1 ? ? +45660 ATOM C CG . GLN AG 13 193 ? -28.607 17.054 -45.618 1.00 71.74 ? 196 GLN o CG 1 ? ? +45661 ATOM C CD . GLN AG 13 193 ? -27.109 16.807 -45.692 1.00 75.26 ? 196 GLN o CD 1 ? ? +45662 ATOM O OE1 . GLN AG 13 193 ? -26.279 17.749 -45.843 1.00 78.61 ? 196 GLN o OE1 1 ? ? +45663 ATOM N NE2 . GLN AG 13 193 ? -26.715 15.534 -45.528 1.00 76.32 ? 196 GLN o NE2 1 ? ? +45664 ATOM C C . GLN AG 13 193 ? -29.732 17.165 -41.890 1.00 66.14 ? 196 GLN o C 1 ? ? +45665 ATOM O O . GLN AG 13 193 ? -29.399 16.254 -41.138 1.00 65.30 ? 196 GLN o O 1 ? ? +45666 ATOM N N . ILE AG 13 194 ? -30.842 17.897 -41.722 1.00 65.95 ? 197 ILE o N 1 ? ? +45667 ATOM C CA . ILE AG 13 194 ? -31.836 17.563 -40.715 1.00 65.61 ? 197 ILE o CA 1 ? ? +45668 ATOM C CB . ILE AG 13 194 ? -31.676 18.468 -39.461 1.00 65.08 ? 197 ILE o CB 1 ? ? +45669 ATOM C CG1 . ILE AG 13 194 ? -32.496 17.942 -38.283 1.00 64.96 ? 197 ILE o CG1 1 ? ? +45670 ATOM C CG2 . ILE AG 13 194 ? -32.020 19.906 -39.737 1.00 65.76 ? 197 ILE o CG2 1 ? ? +45671 ATOM C CD1 . ILE AG 13 194 ? -32.238 18.685 -36.983 1.00 64.72 ? 197 ILE o CD1 1 ? ? +45672 ATOM C C . ILE AG 13 194 ? -33.253 17.625 -41.288 1.00 66.57 ? 197 ILE o C 1 ? ? +45673 ATOM O O . ILE AG 13 194 ? -33.570 18.505 -42.089 1.00 66.65 ? 197 ILE o O 1 ? ? +45674 ATOM N N . SER AG 13 195 ? -34.078 16.651 -40.870 1.00 67.10 ? 198 SER o N 1 ? ? +45675 ATOM C CA . SER AG 13 195 ? -35.526 16.678 -41.034 1.00 68.34 ? 198 SER o CA 1 ? ? +45676 ATOM C CB . SER AG 13 195 ? -36.047 15.364 -41.597 1.00 68.33 ? 198 SER o CB 1 ? ? +45677 ATOM O OG . SER AG 13 195 ? -35.696 15.208 -42.959 1.00 68.37 ? 198 SER o OG 1 ? ? +45678 ATOM C C . SER AG 13 195 ? -36.205 16.902 -39.689 1.00 68.85 ? 198 SER o C 1 ? ? +45679 ATOM O O . SER AG 13 195 ? -35.905 16.189 -38.735 1.00 68.35 ? 198 SER o O 1 ? ? +45680 ATOM N N . LEU AG 13 196 ? -37.113 17.881 -39.631 1.00 69.98 ? 199 LEU o N 1 ? ? +45681 ATOM C CA . LEU AG 13 196 ? -37.985 18.042 -38.479 1.00 70.90 ? 199 LEU o CA 1 ? ? +45682 ATOM C CB . LEU AG 13 196 ? -37.881 19.447 -37.901 1.00 71.26 ? 199 LEU o CB 1 ? ? +45683 ATOM C CG . LEU AG 13 196 ? -36.553 19.699 -37.195 1.00 70.71 ? 199 LEU o CG 1 ? ? +45684 ATOM C CD1 . LEU AG 13 196 ? -35.484 20.118 -38.152 1.00 70.38 ? 199 LEU o CD1 1 ? ? +45685 ATOM C CD2 . LEU AG 13 196 ? -36.706 20.738 -36.140 1.00 71.21 ? 199 LEU o CD2 1 ? ? +45686 ATOM C C . LEU AG 13 196 ? -39.414 17.711 -38.896 1.00 72.11 ? 199 LEU o C 1 ? ? +45687 ATOM O O . LEU AG 13 196 ? -40.007 18.401 -39.724 1.00 72.45 ? 199 LEU o O 1 ? ? +45688 ATOM N N . ASN AG 13 197 ? -39.932 16.624 -38.320 1.00 72.82 ? 200 ASN o N 1 ? ? +45689 ATOM C CA . ASN AG 13 197 ? -41.292 16.177 -38.563 1.00 74.57 ? 200 ASN o CA 1 ? ? +45690 ATOM C CB . ASN AG 13 197 ? -41.266 14.660 -38.697 1.00 75.13 ? 200 ASN o CB 1 ? ? +45691 ATOM C CG . ASN AG 13 197 ? -42.581 14.003 -38.967 1.00 77.03 ? 200 ASN o CG 1 ? ? +45692 ATOM O OD1 . ASN AG 13 197 ? -43.676 14.587 -38.973 1.00 79.82 ? 200 ASN o OD1 1 ? ? +45693 ATOM N ND2 . ASN AG 13 197 ? -42.458 12.705 -39.205 1.00 76.94 ? 200 ASN o ND2 1 ? ? +45694 ATOM C C . ASN AG 13 197 ? -42.231 16.634 -37.447 1.00 74.44 ? 200 ASN o C 1 ? ? +45695 ATOM O O . ASN AG 13 197 ? -42.224 16.070 -36.359 1.00 73.63 ? 200 ASN o O 1 ? ? +45696 ATOM N N . VAL AG 13 198 ? -43.027 17.670 -37.719 1.00 75.57 ? 201 VAL o N 1 ? ? +45697 ATOM C CA . VAL AG 13 198 ? -44.030 18.134 -36.771 1.00 76.66 ? 201 VAL o CA 1 ? ? +45698 ATOM C CB . VAL AG 13 198 ? -44.691 19.466 -37.197 1.00 77.30 ? 201 VAL o CB 1 ? ? +45699 ATOM C CG1 . VAL AG 13 198 ? -45.668 19.958 -36.129 1.00 77.84 ? 201 VAL o CG1 1 ? ? +45700 ATOM C CG2 . VAL AG 13 198 ? -43.647 20.536 -37.512 1.00 76.79 ? 201 VAL o CG2 1 ? ? +45701 ATOM C C . VAL AG 13 198 ? -45.094 17.054 -36.566 1.00 77.50 ? 201 VAL o C 1 ? ? +45702 ATOM O O . VAL AG 13 198 ? -45.638 16.506 -37.527 1.00 79.33 ? 201 VAL o O 1 ? ? +45703 ATOM N N . ALA AG 13 199 ? -45.360 16.767 -35.286 1.00 77.39 ? 202 ALA o N 1 ? ? +45704 ATOM C CA . ALA AG 13 199 ? -46.297 15.736 -34.873 1.00 77.89 ? 202 ALA o CA 1 ? ? +45705 ATOM C CB . ALA AG 13 199 ? -45.543 14.614 -34.194 1.00 76.88 ? 202 ALA o CB 1 ? ? +45706 ATOM C C . ALA AG 13 199 ? -47.396 16.262 -33.948 1.00 78.92 ? 202 ALA o C 1 ? ? +45707 ATOM O O . ALA AG 13 199 ? -48.450 15.643 -33.842 1.00 79.20 ? 202 ALA o O 1 ? ? +45708 ATOM N N . LYS AG 13 200 ? -47.133 17.394 -33.279 1.00 79.33 ? 203 LYS o N 1 ? ? +45709 ATOM C CA . LYS AG 13 200 ? -48.098 18.039 -32.406 1.00 80.79 ? 203 LYS o CA 1 ? ? +45710 ATOM C CB . LYS AG 13 200 ? -47.811 17.709 -30.952 1.00 81.32 ? 203 LYS o CB 1 ? ? +45711 ATOM C CG . LYS AG 13 200 ? -47.942 16.235 -30.627 1.00 82.22 ? 203 LYS o CG 1 ? ? +45712 ATOM C CD . LYS AG 13 200 ? -47.594 15.949 -29.186 1.00 82.87 ? 203 LYS o CD 1 ? ? +45713 ATOM C CE . LYS AG 13 200 ? -47.755 14.492 -28.829 1.00 83.53 ? 203 LYS o CE 1 ? ? +45714 ATOM N NZ . LYS AG 13 200 ? -47.452 14.253 -27.385 1.00 83.64 ? 203 LYS o NZ 1 ? ? +45715 ATOM C C . LYS AG 13 200 ? -48.045 19.551 -32.576 1.00 81.00 ? 203 LYS o C 1 ? ? +45716 ATOM O O . LYS AG 13 200 ? -46.958 20.123 -32.617 1.00 79.61 ? 203 LYS o O 1 ? ? +45717 ATOM N N . VAL AG 13 201 ? -49.230 20.179 -32.659 1.00 82.03 ? 204 VAL o N 1 ? ? +45718 ATOM C CA . VAL AG 13 201 ? -49.329 21.623 -32.758 1.00 82.60 ? 204 VAL o CA 1 ? ? +45719 ATOM C CB . VAL AG 13 201 ? -49.699 22.091 -34.175 1.00 82.76 ? 204 VAL o CB 1 ? ? +45720 ATOM C CG1 . VAL AG 13 201 ? -49.609 23.612 -34.290 1.00 83.18 ? 204 VAL o CG1 1 ? ? +45721 ATOM C CG2 . VAL AG 13 201 ? -48.837 21.423 -35.225 1.00 81.89 ? 204 VAL o CG2 1 ? ? +45722 ATOM C C . VAL AG 13 201 ? -50.363 22.109 -31.752 1.00 84.48 ? 204 VAL o C 1 ? ? +45723 ATOM O O . VAL AG 13 201 ? -51.472 21.592 -31.701 1.00 85.12 ? 204 VAL o O 1 ? ? +45724 ATOM N N . ASP AG 13 202 ? -49.970 23.089 -30.939 1.00 85.48 ? 205 ASP o N 1 ? ? +45725 ATOM C CA . ASP AG 13 202 ? -50.908 23.842 -30.130 1.00 87.19 ? 205 ASP o CA 1 ? ? +45726 ATOM C CB . ASP AG 13 202 ? -50.382 24.055 -28.709 1.00 86.87 ? 205 ASP o CB 1 ? ? +45727 ATOM C CG . ASP AG 13 202 ? -51.375 24.707 -27.783 1.00 88.42 ? 205 ASP o CG 1 ? ? +45728 ATOM O OD1 . ASP AG 13 202 ? -52.080 25.622 -28.229 1.00 88.65 ? 205 ASP o OD1 1 ? ? +45729 ATOM O OD2 . ASP AG 13 202 ? -51.426 24.313 -26.601 1.00 89.09 ? 205 ASP o OD2 1 ? ? +45730 ATOM C C . ASP AG 13 202 ? -51.105 25.164 -30.865 1.00 89.09 ? 205 ASP o C 1 ? ? +45731 ATOM O O . ASP AG 13 202 ? -50.209 26.008 -30.857 1.00 88.43 ? 205 ASP o O 1 ? ? +45732 ATOM N N . GLY AG 13 203 ? -52.284 25.321 -31.488 1.00 90.79 ? 206 GLY o N 1 ? ? +45733 ATOM C CA . GLY AG 13 203 ? -52.572 26.463 -32.339 1.00 92.47 ? 206 GLY o CA 1 ? ? +45734 ATOM C C . GLY AG 13 203 ? -52.774 27.766 -31.570 1.00 94.57 ? 206 GLY o C 1 ? ? +45735 ATOM O O . GLY AG 13 203 ? -52.607 28.845 -32.133 1.00 96.07 ? 206 GLY o O 1 ? ? +45736 ATOM N N . ARG AG 13 204 ? -53.137 27.647 -30.288 1.00 95.91 ? 207 ARG o N 1 ? ? +45737 ATOM C CA . ARG AG 13 204 ? -53.415 28.777 -29.415 1.00 97.65 ? 207 ARG o CA 1 ? ? +45738 ATOM C CB . ARG AG 13 204 ? -54.392 28.321 -28.275 1.00 101.32 ? 207 ARG o CB 1 ? ? +45739 ATOM C CG . ARG AG 13 204 ? -54.028 26.924 -27.721 1.00 104.73 ? 207 ARG o CG 1 ? ? +45740 ATOM C CD . ARG AG 13 204 ? -54.970 26.225 -26.744 1.00 108.58 ? 207 ARG o CD 1 ? ? +45741 ATOM N NE . ARG AG 13 204 ? -54.409 24.943 -26.301 1.00 110.47 ? 207 ARG o NE 1 ? ? +45742 ATOM C CZ . ARG AG 13 204 ? -54.247 23.852 -27.060 1.00 111.80 ? 207 ARG o CZ 1 ? ? +45743 ATOM N NH1 . ARG AG 13 204 ? -54.788 23.748 -28.267 1.00 113.96 ? 207 ARG o NH1 1 ? ? +45744 ATOM N NH2 . ARG AG 13 204 ? -53.538 22.830 -26.583 1.00 109.92 ? 207 ARG o NH2 1 ? ? +45745 ATOM C C . ARG AG 13 204 ? -52.113 29.375 -28.869 1.00 94.50 ? 207 ARG o C 1 ? ? +45746 ATOM O O . ARG AG 13 204 ? -51.955 30.591 -28.827 1.00 94.65 ? 207 ARG o O 1 ? ? +45747 ATOM N N . THR AG 13 205 ? -51.164 28.524 -28.460 1.00 91.50 ? 208 THR o N 1 ? ? +45748 ATOM C CA . THR AG 13 205 ? -49.911 28.990 -27.883 1.00 89.30 ? 208 THR o CA 1 ? ? +45749 ATOM C CB . THR AG 13 205 ? -49.356 27.997 -26.839 1.00 88.49 ? 208 THR o CB 1 ? ? +45750 ATOM O OG1 . THR AG 13 205 ? -48.880 26.826 -27.502 1.00 87.77 ? 208 THR o OG1 1 ? ? +45751 ATOM C CG2 . THR AG 13 205 ? -50.385 27.609 -25.779 1.00 88.95 ? 208 THR o CG2 1 ? ? +45752 ATOM C C . THR AG 13 205 ? -48.832 29.248 -28.933 1.00 87.14 ? 208 THR o C 1 ? ? +45753 ATOM O O . THR AG 13 205 ? -47.934 30.050 -28.700 1.00 86.09 ? 208 THR o O 1 ? ? +45754 ATOM N N . GLY AG 13 206 ? -48.917 28.566 -30.081 1.00 85.89 ? 209 GLY o N 1 ? ? +45755 ATOM C CA . GLY AG 13 206 ? -47.870 28.634 -31.092 1.00 84.26 ? 209 GLY o CA 1 ? ? +45756 ATOM C C . GLY AG 13 206 ? -46.689 27.721 -30.783 1.00 81.85 ? 209 GLY o C 1 ? ? +45757 ATOM O O . GLY AG 13 206 ? -45.569 27.992 -31.190 1.00 81.32 ? 209 GLY o O 1 ? ? +45758 ATOM N N . GLU AG 13 207 ? -46.970 26.637 -30.053 1.00 80.43 ? 210 GLU o N 1 ? ? +45759 ATOM C CA . GLU AG 13 207 ? -45.982 25.631 -29.714 1.00 78.39 ? 210 GLU o CA 1 ? ? +45760 ATOM C CB . GLU AG 13 207 ? -46.139 25.174 -28.255 1.00 78.27 ? 210 GLU o CB 1 ? ? +45761 ATOM C CG . GLU AG 13 207 ? -45.780 26.234 -27.225 1.00 78.32 ? 210 GLU o CG 1 ? ? +45762 ATOM C CD . GLU AG 13 207 ? -46.228 25.932 -25.807 1.00 78.48 ? 210 GLU o CD 1 ? ? +45763 ATOM O OE1 . GLU AG 13 207 ? -47.448 26.063 -25.528 1.00 79.71 ? 210 GLU o OE1 1 ? ? +45764 ATOM O OE2 . GLU AG 13 207 ? -45.361 25.576 -24.974 1.00 76.88 ? 210 GLU o OE2 1 ? ? +45765 ATOM C C . GLU AG 13 207 ? -46.147 24.435 -30.644 1.00 77.58 ? 210 GLU o C 1 ? ? +45766 ATOM O O . GLU AG 13 207 ? -47.257 23.964 -30.868 1.00 77.72 ? 210 GLU o O 1 ? ? +45767 ATOM N N . ILE AG 13 208 ? -45.017 23.948 -31.164 1.00 76.20 ? 211 ILE o N 1 ? ? +45768 ATOM C CA . ILE AG 13 208 ? -44.971 22.716 -31.933 1.00 75.35 ? 211 ILE o CA 1 ? ? +45769 ATOM C CB . ILE AG 13 208 ? -44.617 23.001 -33.406 1.00 75.57 ? 211 ILE o CB 1 ? ? +45770 ATOM C CG1 . ILE AG 13 208 ? -43.239 23.712 -33.537 1.00 74.78 ? 211 ILE o CG1 1 ? ? +45771 ATOM C CG2 . ILE AG 13 208 ? -45.738 23.794 -34.052 1.00 76.84 ? 211 ILE o CG2 1 ? ? +45772 ATOM C CD1 . ILE AG 13 208 ? -42.755 23.939 -34.906 1.00 74.69 ? 211 ILE o CD1 1 ? ? +45773 ATOM C C . ILE AG 13 208 ? -43.973 21.762 -31.291 1.00 73.68 ? 211 ILE o C 1 ? ? +45774 ATOM O O . ILE AG 13 208 ? -43.054 22.199 -30.602 1.00 73.15 ? 211 ILE o O 1 ? ? +45775 ATOM N N . ALA AG 13 209 ? -44.183 20.463 -31.520 1.00 72.87 ? 212 ALA o N 1 ? ? +45776 ATOM C CA . ALA AG 13 209 ? -43.202 19.447 -31.183 1.00 71.30 ? 212 ALA o CA 1 ? ? +45777 ATOM C CB . ALA AG 13 209 ? -43.458 18.876 -29.803 1.00 71.17 ? 212 ALA o CB 1 ? ? +45778 ATOM C C . ALA AG 13 209 ? -43.252 18.338 -32.222 1.00 70.79 ? 212 ALA o C 1 ? ? +45779 ATOM O O . ALA AG 13 209 ? -44.220 18.214 -32.964 1.00 71.44 ? 212 ALA o O 1 ? ? +45780 ATOM N N . GLY AG 13 210 ? -42.189 17.536 -32.262 1.00 69.73 ? 213 GLY o N 1 ? ? +45781 ATOM C CA . GLY AG 13 210 ? -42.143 16.382 -33.138 1.00 69.42 ? 213 GLY o CA 1 ? ? +45782 ATOM C C . GLY AG 13 210 ? -40.864 15.575 -32.956 1.00 68.22 ? 213 GLY o C 1 ? ? +45783 ATOM O O . GLY AG 13 210 ? -40.249 15.632 -31.896 1.00 67.43 ? 213 GLY o O 1 ? ? +45784 ATOM N N . THR AG 13 211 ? -40.518 14.790 -33.984 1.00 67.94 ? 214 THR o N 1 ? ? +45785 ATOM C CA . THR AG 13 211 ? -39.277 14.045 -34.003 1.00 67.06 ? 214 THR o CA 1 ? ? +45786 ATOM C CB . THR AG 13 211 ? -39.490 12.563 -34.297 1.00 66.63 ? 214 THR o CB 1 ? ? +45787 ATOM O OG1 . THR AG 13 211 ? -39.956 12.425 -35.631 1.00 66.93 ? 214 THR o OG1 1 ? ? +45788 ATOM C CG2 . THR AG 13 211 ? -40.423 11.908 -33.301 1.00 66.94 ? 214 THR o CG2 1 ? ? +45789 ATOM C C . THR AG 13 211 ? -38.347 14.673 -35.032 1.00 67.21 ? 214 THR o C 1 ? ? +45790 ATOM O O . THR AG 13 211 ? -38.772 15.477 -35.858 1.00 67.58 ? 214 THR o O 1 ? ? +45791 ATOM N N . PHE AG 13 212 ? -37.066 14.292 -34.968 1.00 67.02 ? 215 PHE o N 1 ? ? +45792 ATOM C CA . PHE AG 13 212 ? -36.116 14.744 -35.968 1.00 67.23 ? 215 PHE o CA 1 ? ? +45793 ATOM C CB . PHE AG 13 212 ? -35.363 15.992 -35.500 1.00 66.90 ? 215 PHE o CB 1 ? ? +45794 ATOM C CG . PHE AG 13 212 ? -34.276 15.772 -34.486 1.00 65.75 ? 215 PHE o CG 1 ? ? +45795 ATOM C CD2 . PHE AG 13 212 ? -34.539 15.886 -33.134 1.00 65.71 ? 215 PHE o CD2 1 ? ? +45796 ATOM C CD1 . PHE AG 13 212 ? -32.978 15.530 -34.884 1.00 64.85 ? 215 PHE o CD1 1 ? ? +45797 ATOM C CE2 . PHE AG 13 212 ? -33.535 15.700 -32.197 1.00 64.98 ? 215 PHE o CE2 1 ? ? +45798 ATOM C CE1 . PHE AG 13 212 ? -31.969 15.354 -33.947 1.00 64.17 ? 215 PHE o CE1 1 ? ? +45799 ATOM C CZ . PHE AG 13 212 ? -32.250 15.437 -32.609 1.00 64.22 ? 215 PHE o CZ 1 ? ? +45800 ATOM C C . PHE AG 13 212 ? -35.144 13.639 -36.344 1.00 67.22 ? 215 PHE o C 1 ? ? +45801 ATOM O O . PHE AG 13 212 ? -34.968 12.679 -35.607 1.00 66.89 ? 215 PHE o O 1 ? ? +45802 ATOM N N . GLU AG 13 213 ? -34.555 13.779 -37.528 1.00 68.49 ? 216 GLU o N 1 ? ? +45803 ATOM C CA . GLU AG 13 213 ? -33.442 12.944 -37.932 1.00 69.21 ? 216 GLU o CA 1 ? ? +45804 ATOM C CB . GLU AG 13 213 ? -33.900 11.837 -38.896 1.00 71.94 ? 216 GLU o CB 1 ? ? +45805 ATOM C CG . GLU AG 13 213 ? -32.772 10.870 -39.228 1.00 73.92 ? 216 GLU o CG 1 ? ? +45806 ATOM C CD . GLU AG 13 213 ? -33.172 9.615 -39.958 1.00 77.44 ? 216 GLU o CD 1 ? ? +45807 ATOM O OE1 . GLU AG 13 213 ? -34.113 8.936 -39.487 1.00 82.95 ? 216 GLU o OE1 1 ? ? +45808 ATOM O OE2 . GLU AG 13 213 ? -32.517 9.283 -40.971 1.00 78.75 ? 216 GLU o OE2 1 ? ? +45809 ATOM C C . GLU AG 13 213 ? -32.385 13.855 -38.552 1.00 67.76 ? 216 GLU o C 1 ? ? +45810 ATOM O O . GLU AG 13 213 ? -32.700 14.693 -39.391 1.00 68.22 ? 216 GLU o O 1 ? ? +45811 ATOM N N . SER AG 13 214 ? -31.133 13.703 -38.116 1.00 66.06 ? 217 SER o N 1 ? ? +45812 ATOM C CA . SER AG 13 214 ? -30.058 14.522 -38.642 1.00 65.43 ? 217 SER o CA 1 ? ? +45813 ATOM C CB . SER AG 13 214 ? -29.726 15.657 -37.675 1.00 65.23 ? 217 SER o CB 1 ? ? +45814 ATOM O OG . SER AG 13 214 ? -28.652 15.392 -36.795 1.00 65.31 ? 217 SER o OG 1 ? ? +45815 ATOM C C . SER AG 13 214 ? -28.867 13.627 -38.969 1.00 64.57 ? 217 SER o C 1 ? ? +45816 ATOM O O . SER AG 13 214 ? -28.632 12.616 -38.316 1.00 63.54 ? 217 SER o O 1 ? ? +45817 ATOM N N . GLU AG 13 215 ? -28.146 13.996 -40.028 1.00 64.84 ? 218 GLU o N 1 ? ? +45818 ATOM C CA . GLU AG 13 215 ? -26.956 13.283 -40.451 1.00 64.17 ? 218 GLU o CA 1 ? ? +45819 ATOM C CB . GLU AG 13 215 ? -27.165 12.648 -41.828 1.00 66.05 ? 218 GLU o CB 1 ? ? +45820 ATOM C CG . GLU AG 13 215 ? -27.687 11.235 -41.702 1.00 67.85 ? 218 GLU o CG 1 ? ? +45821 ATOM C CD . GLU AG 13 215 ? -28.138 10.581 -42.994 1.00 70.04 ? 218 GLU o CD 1 ? ? +45822 ATOM O OE1 . GLU AG 13 215 ? -29.243 10.919 -43.496 1.00 71.20 ? 218 GLU o OE1 1 ? ? +45823 ATOM O OE2 . GLU AG 13 215 ? -27.375 9.715 -43.491 1.00 71.10 ? 218 GLU o OE2 1 ? ? +45824 ATOM C C . GLU AG 13 215 ? -25.769 14.233 -40.474 1.00 62.42 ? 218 GLU o C 1 ? ? +45825 ATOM O O . GLU AG 13 215 ? -25.882 15.349 -40.964 1.00 62.36 ? 218 GLU o O 1 ? ? +45826 ATOM N N . GLN AG 13 216 ? -24.637 13.763 -39.951 1.00 60.53 ? 219 GLN o N 1 ? ? +45827 ATOM C CA . GLN AG 13 216 ? -23.424 14.557 -39.948 1.00 59.55 ? 219 GLN o CA 1 ? ? +45828 ATOM C CB . GLN AG 13 216 ? -23.482 15.608 -38.841 1.00 59.51 ? 219 GLN o CB 1 ? ? +45829 ATOM C CG . GLN AG 13 216 ? -23.633 15.023 -37.449 1.00 59.09 ? 219 GLN o CG 1 ? ? +45830 ATOM C CD . GLN AG 13 216 ? -23.357 16.031 -36.378 1.00 58.88 ? 219 GLN o CD 1 ? ? +45831 ATOM O OE1 . GLN AG 13 216 ? -24.276 16.658 -35.852 1.00 59.60 ? 219 GLN o OE1 1 ? ? +45832 ATOM N NE2 . GLN AG 13 216 ? -22.127 16.231 -36.033 1.00 58.16 ? 219 GLN o NE2 1 ? ? +45833 ATOM C C . GLN AG 13 216 ? -22.197 13.672 -39.757 1.00 58.43 ? 219 GLN o C 1 ? ? +45834 ATOM O O . GLN AG 13 216 ? -22.313 12.494 -39.434 1.00 58.01 ? 219 GLN o O 1 ? ? +45835 ATOM N N . LEU AG 13 217 ? -21.017 14.263 -39.956 1.00 57.88 ? 220 LEU o N 1 ? ? +45836 ATOM C CA . LEU AG 13 217 ? -19.772 13.566 -39.711 1.00 56.93 ? 220 LEU o CA 1 ? ? +45837 ATOM C CB . LEU AG 13 217 ? -18.694 14.101 -40.646 1.00 56.90 ? 220 LEU o CB 1 ? ? +45838 ATOM C CG . LEU AG 13 217 ? -18.940 13.880 -42.150 1.00 57.20 ? 220 LEU o CG 1 ? ? +45839 ATOM C CD1 . LEU AG 13 217 ? -17.879 14.575 -42.976 1.00 57.09 ? 220 LEU o CD1 1 ? ? +45840 ATOM C CD2 . LEU AG 13 217 ? -18.969 12.404 -42.500 1.00 56.83 ? 220 LEU o CD2 1 ? ? +45841 ATOM C C . LEU AG 13 217 ? -19.355 13.733 -38.254 1.00 56.38 ? 220 LEU o C 1 ? ? +45842 ATOM O O . LEU AG 13 217 ? -19.677 14.731 -37.614 1.00 56.66 ? 220 LEU o O 1 ? ? +45843 ATOM N N . SER AG 13 218 ? -18.632 12.727 -37.754 1.00 55.70 ? 221 SER o N 1 ? ? +45844 ATOM C CA . SER AG 13 218 ? -18.041 12.757 -36.428 1.00 55.27 ? 221 SER o CA 1 ? ? +45845 ATOM C CB . SER AG 13 218 ? -17.943 11.336 -35.888 1.00 54.82 ? 221 SER o CB 1 ? ? +45846 ATOM O OG . SER AG 13 218 ? -16.972 10.590 -36.596 1.00 54.40 ? 221 SER o OG 1 ? ? +45847 ATOM C C . SER AG 13 218 ? -16.661 13.422 -36.434 1.00 54.80 ? 221 SER o C 1 ? ? +45848 ATOM O O . SER AG 13 218 ? -16.187 13.899 -37.459 1.00 54.65 ? 221 SER o O 1 ? ? +45849 ATOM N N . ASP AG 13 219 ? -16.041 13.490 -35.257 1.00 54.56 ? 222 ASP o N 1 ? ? +45850 ATOM C CA . ASP AG 13 219 ? -14.736 14.101 -35.111 1.00 54.63 ? 222 ASP o CA 1 ? ? +45851 ATOM C CB . ASP AG 13 219 ? -14.330 14.046 -33.638 1.00 54.30 ? 222 ASP o CB 1 ? ? +45852 ATOM C CG . ASP AG 13 219 ? -12.882 14.384 -33.355 1.00 53.74 ? 222 ASP o CG 1 ? ? +45853 ATOM O OD1 . ASP AG 13 219 ? -12.388 15.371 -33.918 1.00 53.91 ? 222 ASP o OD1 1 ? ? +45854 ATOM O OD2 . ASP AG 13 219 ? -12.261 13.679 -32.556 1.00 53.16 ? 222 ASP o OD2 1 ? ? +45855 ATOM C C . ASP AG 13 219 ? -13.698 13.397 -35.981 1.00 54.63 ? 222 ASP o C 1 ? ? +45856 ATOM O O . ASP AG 13 219 ? -13.724 12.179 -36.115 1.00 54.35 ? 222 ASP o O 1 ? ? +45857 ATOM N N . ASP AG 13 220 ? -12.805 14.178 -36.590 1.00 55.39 ? 223 ASP o N 1 ? ? +45858 ATOM C CA . ASP AG 13 220 ? -11.702 13.630 -37.363 1.00 55.85 ? 223 ASP o CA 1 ? ? +45859 ATOM C CB . ASP AG 13 220 ? -11.741 14.206 -38.782 1.00 56.51 ? 223 ASP o CB 1 ? ? +45860 ATOM C CG . ASP AG 13 220 ? -11.401 15.686 -38.906 1.00 57.25 ? 223 ASP o CG 1 ? ? +45861 ATOM O OD1 . ASP AG 13 220 ? -11.062 16.311 -37.887 1.00 57.48 ? 223 ASP o OD1 1 ? ? +45862 ATOM O OD2 . ASP AG 13 220 ? -11.464 16.211 -40.017 1.00 58.35 ? 223 ASP o OD2 1 ? ? +45863 ATOM C C . ASP AG 13 220 ? -10.342 13.889 -36.706 1.00 55.99 ? 223 ASP o C 1 ? ? +45864 ATOM O O . ASP AG 13 220 ? -9.307 13.603 -37.304 1.00 55.44 ? 223 ASP o O 1 ? ? +45865 ATOM N N . ASP AG 13 221 ? -10.366 14.429 -35.477 1.00 56.94 ? 224 ASP o N 1 ? ? +45866 ATOM C CA . ASP AG 13 221 ? -9.177 14.727 -34.698 1.00 57.82 ? 224 ASP o CA 1 ? ? +45867 ATOM C CB . ASP AG 13 221 ? -8.547 13.423 -34.220 1.00 58.31 ? 224 ASP o CB 1 ? ? +45868 ATOM C CG . ASP AG 13 221 ? -7.488 13.591 -33.162 1.00 58.54 ? 224 ASP o CG 1 ? ? +45869 ATOM O OD1 . ASP AG 13 221 ? -7.434 14.663 -32.552 1.00 59.31 ? 224 ASP o OD1 1 ? ? +45870 ATOM O OD2 . ASP AG 13 221 ? -6.706 12.655 -32.965 1.00 58.91 ? 224 ASP o OD2 1 ? ? +45871 ATOM C C . ASP AG 13 221 ? -8.189 15.560 -35.516 1.00 58.42 ? 224 ASP o C 1 ? ? +45872 ATOM O O . ASP AG 13 221 ? -7.024 15.209 -35.668 1.00 57.25 ? 224 ASP o O 1 ? ? +45873 ATOM N N . MET AG 13 222 ? -8.710 16.649 -36.074 1.00 60.18 ? 225 MET o N 1 ? ? +45874 ATOM C CA . MET AG 13 222 ? -7.938 17.666 -36.761 1.00 61.45 ? 225 MET o CA 1 ? ? +45875 ATOM C CB . MET AG 13 222 ? -7.031 18.378 -35.768 1.00 63.76 ? 225 MET o CB 1 ? ? +45876 ATOM C CG . MET AG 13 222 ? -7.799 18.935 -34.606 1.00 66.27 ? 225 MET o CG 1 ? ? +45877 ATOM S SD . MET AG 13 222 ? -7.082 20.449 -33.982 1.00 70.22 ? 225 MET o SD 1 ? ? +45878 ATOM C CE . MET AG 13 222 ? -8.130 21.610 -34.839 1.00 70.20 ? 225 MET o CE 1 ? ? +45879 ATOM C C . MET AG 13 222 ? -7.132 17.085 -37.913 1.00 60.48 ? 225 MET o C 1 ? ? +45880 ATOM O O . MET AG 13 222 ? -6.006 17.519 -38.167 1.00 60.53 ? 225 MET o O 1 ? ? +45881 ATOM N N . GLY AG 13 223 ? -7.733 16.112 -38.608 1.00 59.70 ? 226 GLY o N 1 ? ? +45882 ATOM C CA . GLY AG 13 223 ? -7.172 15.557 -39.831 1.00 58.95 ? 226 GLY o CA 1 ? ? +45883 ATOM C C . GLY AG 13 223 ? -6.400 14.251 -39.653 1.00 58.08 ? 226 GLY o C 1 ? ? +45884 ATOM O O . GLY AG 13 223 ? -5.878 13.703 -40.617 1.00 58.17 ? 226 GLY o O 1 ? ? +45885 ATOM N N . ALA AG 13 224 ? -6.331 13.751 -38.418 1.00 57.53 ? 227 ALA o N 1 ? ? +45886 ATOM C CA . ALA AG 13 224 ? -5.523 12.584 -38.112 1.00 57.23 ? 227 ALA o CA 1 ? ? +45887 ATOM C CB . ALA AG 13 224 ? -5.245 12.552 -36.621 1.00 57.29 ? 227 ALA o CB 1 ? ? +45888 ATOM C C . ALA AG 13 224 ? -6.142 11.253 -38.546 1.00 57.28 ? 227 ALA o C 1 ? ? +45889 ATOM O O . ALA AG 13 224 ? -5.431 10.261 -38.705 1.00 56.59 ? 227 ALA o O 1 ? ? +45890 ATOM N N . HIS AG 13 225 ? -7.471 11.210 -38.698 1.00 57.55 ? 228 HIS o N 1 ? ? +45891 ATOM C CA . HIS AG 13 225 ? -8.131 10.003 -39.166 1.00 57.71 ? 228 HIS o CA 1 ? ? +45892 ATOM C CB . HIS AG 13 225 ? -8.350 9.019 -38.002 1.00 57.14 ? 228 HIS o CB 1 ? ? +45893 ATOM C CG . HIS AG 13 225 ? -9.336 9.461 -36.964 1.00 57.32 ? 228 HIS o CG 1 ? ? +45894 ATOM N ND1 . HIS AG 13 225 ? -10.706 9.507 -37.233 1.00 57.71 ? 228 HIS o ND1 1 ? ? +45895 ATOM C CE1 . HIS AG 13 225 ? -11.286 9.917 -36.114 1.00 57.69 ? 228 HIS o CE1 1 ? ? +45896 ATOM N NE2 . HIS AG 13 225 ? -10.377 10.118 -35.149 1.00 57.54 ? 228 HIS o NE2 1 ? ? +45897 ATOM C CD2 . HIS AG 13 225 ? -9.134 9.827 -35.680 1.00 56.91 ? 228 HIS o CD2 1 ? ? +45898 ATOM C C . HIS AG 13 225 ? -9.432 10.372 -39.871 1.00 58.90 ? 228 HIS o C 1 ? ? +45899 ATOM O O . HIS AG 13 225 ? -9.847 11.524 -39.834 1.00 60.30 ? 228 HIS o O 1 ? ? +45900 ATOM N N . GLU AG 13 226 ? -10.052 9.402 -40.546 1.00 59.47 ? 229 GLU o N 1 ? ? +45901 ATOM C CA . GLU AG 13 226 ? -11.302 9.658 -41.247 1.00 60.58 ? 229 GLU o CA 1 ? ? +45902 ATOM C CB . GLU AG 13 226 ? -11.618 8.547 -42.277 1.00 62.44 ? 229 GLU o CB 1 ? ? +45903 ATOM C CG . GLU AG 13 226 ? -10.617 8.441 -43.415 1.00 64.16 ? 229 GLU o CG 1 ? ? +45904 ATOM C CD . GLU AG 13 226 ? -10.461 9.717 -44.224 1.00 66.53 ? 229 GLU o CD 1 ? ? +45905 ATOM O OE1 . GLU AG 13 226 ? -11.507 10.254 -44.659 1.00 66.75 ? 229 GLU o OE1 1 ? ? +45906 ATOM O OE2 . GLU AG 13 226 ? -9.306 10.175 -44.434 1.00 69.25 ? 229 GLU o OE2 1 ? ? +45907 ATOM C C . GLU AG 13 226 ? -12.449 9.764 -40.247 1.00 59.23 ? 229 GLU o C 1 ? ? +45908 ATOM O O . GLU AG 13 226 ? -12.496 9.026 -39.265 1.00 58.93 ? 229 GLU o O 1 ? ? +45909 ATOM N N . PRO AG 13 227 ? -13.425 10.669 -40.462 1.00 58.80 ? 230 PRO o N 1 ? ? +45910 ATOM C CA . PRO AG 13 227 ? -14.622 10.698 -39.622 1.00 58.43 ? 230 PRO o CA 1 ? ? +45911 ATOM C CB . PRO AG 13 227 ? -15.268 12.029 -39.989 1.00 59.19 ? 230 PRO o CB 1 ? ? +45912 ATOM C CG . PRO AG 13 227 ? -14.833 12.274 -41.422 1.00 59.55 ? 230 PRO o CG 1 ? ? +45913 ATOM C CD . PRO AG 13 227 ? -13.436 11.702 -41.511 1.00 59.04 ? 230 PRO o CD 1 ? ? +45914 ATOM C C . PRO AG 13 227 ? -15.537 9.521 -39.935 1.00 57.89 ? 230 PRO o C 1 ? ? +45915 ATOM O O . PRO AG 13 227 ? -15.369 8.872 -40.962 1.00 57.13 ? 230 PRO o O 1 ? ? +45916 ATOM N N . HIS AG 13 228 ? -16.492 9.259 -39.035 1.00 58.11 ? 231 HIS o N 1 ? ? +45917 ATOM C CA . HIS AG 13 228 ? -17.599 8.360 -39.316 1.00 58.46 ? 231 HIS o CA 1 ? ? +45918 ATOM C CB . HIS AG 13 228 ? -17.892 7.499 -38.099 1.00 58.60 ? 231 HIS o CB 1 ? ? +45919 ATOM C CG . HIS AG 13 228 ? -16.819 6.510 -37.763 1.00 58.17 ? 231 HIS o CG 1 ? ? +45920 ATOM N ND1 . HIS AG 13 228 ? -15.556 6.915 -37.377 1.00 58.25 ? 231 HIS o ND1 1 ? ? +45921 ATOM C CE1 . HIS AG 13 228 ? -14.870 5.809 -37.147 1.00 57.74 ? 231 HIS o CE1 1 ? ? +45922 ATOM N NE2 . HIS AG 13 228 ? -15.625 4.727 -37.374 1.00 57.92 ? 231 HIS o NE2 1 ? ? +45923 ATOM C CD2 . HIS AG 13 228 ? -16.862 5.163 -37.763 1.00 58.07 ? 231 HIS o CD2 1 ? ? +45924 ATOM C C . HIS AG 13 228 ? -18.830 9.169 -39.697 1.00 58.91 ? 231 HIS o C 1 ? ? +45925 ATOM O O . HIS AG 13 228 ? -18.949 10.330 -39.315 1.00 58.91 ? 231 HIS o O 1 ? ? +45926 ATOM N N . GLU AG 13 229 ? -19.751 8.551 -40.433 1.00 59.75 ? 232 GLU o N 1 ? ? +45927 ATOM C CA . GLU AG 13 229 ? -21.075 9.133 -40.604 1.00 60.83 ? 232 GLU o CA 1 ? ? +45928 ATOM C CB . GLU AG 13 229 ? -21.772 8.616 -41.850 1.00 62.52 ? 232 GLU o CB 1 ? ? +45929 ATOM C CG . GLU AG 13 229 ? -21.080 8.995 -43.140 1.00 63.98 ? 232 GLU o CG 1 ? ? +45930 ATOM C CD . GLU AG 13 229 ? -21.811 8.448 -44.350 1.00 66.32 ? 232 GLU o CD 1 ? ? +45931 ATOM O OE1 . GLU AG 13 229 ? -23.035 8.713 -44.486 1.00 68.47 ? 232 GLU o OE1 1 ? ? +45932 ATOM O OE2 . GLU AG 13 229 ? -21.170 7.715 -45.139 1.00 66.93 ? 232 GLU o OE2 1 ? ? +45933 ATOM C C . GLU AG 13 229 ? -21.921 8.815 -39.379 1.00 60.08 ? 232 GLU o C 1 ? ? +45934 ATOM O O . GLU AG 13 229 ? -21.914 7.688 -38.896 1.00 59.27 ? 232 GLU o O 1 ? ? +45935 ATOM N N . VAL AG 13 230 ? -22.632 9.827 -38.876 1.00 60.15 ? 233 VAL o N 1 ? ? +45936 ATOM C CA . VAL AG 13 230 ? -23.513 9.649 -37.733 1.00 60.09 ? 233 VAL o CA 1 ? ? +45937 ATOM C CB . VAL AG 13 230 ? -23.005 10.415 -36.495 1.00 59.57 ? 233 VAL o CB 1 ? ? +45938 ATOM C CG1 . VAL AG 13 230 ? -23.855 10.097 -35.262 1.00 59.78 ? 233 VAL o CG1 1 ? ? +45939 ATOM C CG2 . VAL AG 13 230 ? -21.544 10.103 -36.229 1.00 58.73 ? 233 VAL o CG2 1 ? ? +45940 ATOM C C . VAL AG 13 230 ? -24.939 10.055 -38.093 1.00 60.57 ? 233 VAL o C 1 ? ? +45941 ATOM O O . VAL AG 13 230 ? -25.155 11.057 -38.766 1.00 60.05 ? 233 VAL o O 1 ? ? +45942 ATOM N N . LYS AG 13 231 ? -25.895 9.240 -37.642 1.00 61.57 ? 234 LYS o N 1 ? ? +45943 ATOM C CA . LYS AG 13 231 ? -27.312 9.536 -37.790 1.00 63.29 ? 234 LYS o CA 1 ? ? +45944 ATOM C CB . LYS AG 13 231 ? -28.035 8.408 -38.510 1.00 64.67 ? 234 LYS o CB 1 ? ? +45945 ATOM C CG . LYS AG 13 231 ? -29.497 8.688 -38.734 1.00 67.24 ? 234 LYS o CG 1 ? ? +45946 ATOM C CD . LYS AG 13 231 ? -30.233 7.489 -39.448 1.00 68.97 ? 234 LYS o CD 1 ? ? +45947 ATOM C CE . LYS AG 13 231 ? -29.752 7.155 -40.876 1.00 69.51 ? 234 LYS o CE 1 ? ? +45948 ATOM N NZ . LYS AG 13 231 ? -30.319 8.109 -41.891 1.00 70.51 ? 234 LYS o NZ 1 ? ? +45949 ATOM C C . LYS AG 13 231 ? -27.874 9.740 -36.389 1.00 62.89 ? 234 LYS o C 1 ? ? +45950 ATOM O O . LYS AG 13 231 ? -27.662 8.898 -35.523 1.00 62.82 ? 234 LYS o O 1 ? ? +45951 ATOM N N . ILE AG 13 232 ? -28.553 10.870 -36.169 1.00 62.88 ? 235 ILE o N 1 ? ? +45952 ATOM C CA . ILE AG 13 232 ? -29.094 11.204 -34.862 1.00 62.78 ? 235 ILE o CA 1 ? ? +45953 ATOM C CB . ILE AG 13 232 ? -28.489 12.507 -34.333 1.00 62.71 ? 235 ILE o CB 1 ? ? +45954 ATOM C CG1 . ILE AG 13 232 ? -26.935 12.399 -34.309 1.00 62.10 ? 235 ILE o CG1 1 ? ? +45955 ATOM C CG2 . ILE AG 13 232 ? -29.052 12.878 -32.952 1.00 62.72 ? 235 ILE o CG2 1 ? ? +45956 ATOM C CD1 . ILE AG 13 232 ? -26.269 13.589 -34.746 1.00 62.14 ? 235 ILE o CD1 1 ? ? +45957 ATOM C C . ILE AG 13 232 ? -30.607 11.318 -34.947 1.00 63.54 ? 235 ILE o C 1 ? ? +45958 ATOM O O . ILE AG 13 232 ? -31.130 12.037 -35.791 1.00 64.12 ? 235 ILE o O 1 ? ? +45959 ATOM N N . GLN AG 13 233 ? -31.289 10.609 -34.045 1.00 63.65 ? 236 GLN o N 1 ? ? +45960 ATOM C CA . GLN AG 13 233 ? -32.735 10.673 -33.930 1.00 64.17 ? 236 GLN o CA 1 ? ? +45961 ATOM C CB . GLN AG 13 233 ? -33.356 9.299 -34.153 1.00 64.96 ? 236 GLN o CB 1 ? ? +45962 ATOM C CG . GLN AG 13 233 ? -33.199 8.850 -35.591 1.00 65.70 ? 236 GLN o CG 1 ? ? +45963 ATOM C CD . GLN AG 13 233 ? -33.291 7.365 -35.782 1.00 66.48 ? 236 GLN o CD 1 ? ? +45964 ATOM O OE1 . GLN AG 13 233 ? -32.869 6.567 -34.943 1.00 66.57 ? 236 GLN o OE1 1 ? ? +45965 ATOM N NE2 . GLN AG 13 233 ? -33.833 6.960 -36.915 1.00 67.65 ? 236 GLN o NE2 1 ? ? +45966 ATOM C C . GLN AG 13 233 ? -33.075 11.212 -32.550 1.00 63.42 ? 236 GLN o C 1 ? ? +45967 ATOM O O . GLN AG 13 233 ? -32.320 11.017 -31.600 1.00 62.80 ? 236 GLN o O 1 ? ? +45968 ATOM N N . GLY AG 13 234 ? -34.200 11.920 -32.470 1.00 63.37 ? 237 GLY o N 1 ? ? +45969 ATOM C CA . GLY AG 13 234 ? -34.678 12.453 -31.209 1.00 63.17 ? 237 GLY o CA 1 ? ? +45970 ATOM C C . GLY AG 13 234 ? -36.010 13.177 -31.356 1.00 63.80 ? 237 GLY o C 1 ? ? +45971 ATOM O O . GLY AG 13 234 ? -36.697 13.035 -32.371 1.00 64.05 ? 237 GLY o O 1 ? ? +45972 ATOM N N . VAL AG 13 235 ? -36.344 13.962 -30.329 1.00 63.84 ? 238 VAL o N 1 ? ? +45973 ATOM C CA . VAL AG 13 235 ? -37.540 14.784 -30.340 1.00 64.76 ? 238 VAL o CA 1 ? ? +45974 ATOM C CB . VAL AG 13 235 ? -38.478 14.410 -29.174 1.00 65.22 ? 238 VAL o CB 1 ? ? +45975 ATOM C CG1 . VAL AG 13 235 ? -38.813 12.925 -29.210 1.00 65.11 ? 238 VAL o CG1 1 ? ? +45976 ATOM C CG2 . VAL AG 13 235 ? -37.886 14.789 -27.823 1.00 64.85 ? 238 VAL o CG2 1 ? ? +45977 ATOM C C . VAL AG 13 235 ? -37.125 16.248 -30.302 1.00 64.67 ? 238 VAL o C 1 ? ? +45978 ATOM O O . VAL AG 13 235 ? -36.023 16.574 -29.862 1.00 63.94 ? 238 VAL o O 1 ? ? +45979 ATOM N N . PHE AG 13 236 ? -38.021 17.119 -30.767 1.00 65.43 ? 239 PHE o N 1 ? ? +45980 ATOM C CA . PHE AG 13 236 ? -37.803 18.551 -30.689 1.00 65.66 ? 239 PHE o CA 1 ? ? +45981 ATOM C CB . PHE AG 13 236 ? -37.365 19.116 -32.049 1.00 65.57 ? 239 PHE o CB 1 ? ? +45982 ATOM C CG . PHE AG 13 236 ? -38.470 19.282 -33.062 1.00 66.47 ? 239 PHE o CG 1 ? ? +45983 ATOM C CD1 . PHE AG 13 236 ? -39.272 20.407 -33.062 1.00 67.29 ? 239 PHE o CD1 1 ? ? +45984 ATOM C CD2 . PHE AG 13 236 ? -38.735 18.294 -33.986 1.00 66.48 ? 239 PHE o CD2 1 ? ? +45985 ATOM C CE1 . PHE AG 13 236 ? -40.274 20.549 -33.983 1.00 68.13 ? 239 PHE o CE1 1 ? ? +45986 ATOM C CE2 . PHE AG 13 236 ? -39.754 18.438 -34.895 1.00 67.23 ? 239 PHE o CE2 1 ? ? +45987 ATOM C CZ . PHE AG 13 236 ? -40.496 19.572 -34.907 1.00 68.14 ? 239 PHE o CZ 1 ? ? +45988 ATOM C C . PHE AG 13 236 ? -39.057 19.267 -30.196 1.00 66.80 ? 239 PHE o C 1 ? ? +45989 ATOM O O . PHE AG 13 236 ? -40.157 18.732 -30.286 1.00 67.22 ? 239 PHE o O 1 ? ? +45990 ATOM N N . TYR AG 13 237 ? -38.842 20.484 -29.689 1.00 67.23 ? 240 TYR o N 1 ? ? +45991 ATOM C CA . TYR AG 13 237 ? -39.893 21.409 -29.312 1.00 68.51 ? 240 TYR o CA 1 ? ? +45992 ATOM C CB . TYR AG 13 237 ? -40.068 21.404 -27.783 1.00 68.20 ? 240 TYR o CB 1 ? ? +45993 ATOM C CG . TYR AG 13 237 ? -40.799 22.598 -27.210 1.00 68.86 ? 240 TYR o CG 1 ? ? +45994 ATOM C CD1 . TYR AG 13 237 ? -40.128 23.779 -26.926 1.00 68.65 ? 240 TYR o CD1 1 ? ? +45995 ATOM C CD2 . TYR AG 13 237 ? -42.168 22.548 -26.951 1.00 69.60 ? 240 TYR o CD2 1 ? ? +45996 ATOM C CE1 . TYR AG 13 237 ? -40.797 24.879 -26.395 1.00 69.32 ? 240 TYR o CE1 1 ? ? +45997 ATOM C CE2 . TYR AG 13 237 ? -42.841 23.642 -26.422 1.00 70.26 ? 240 TYR o CE2 1 ? ? +45998 ATOM C CZ . TYR AG 13 237 ? -42.151 24.805 -26.150 1.00 70.07 ? 240 TYR o CZ 1 ? ? +45999 ATOM O OH . TYR AG 13 237 ? -42.781 25.888 -25.626 1.00 70.72 ? 240 TYR o OH 1 ? ? +46000 ATOM C C . TYR AG 13 237 ? -39.517 22.788 -29.846 1.00 69.31 ? 240 TYR o C 1 ? ? +46001 ATOM O O . TYR AG 13 237 ? -38.354 23.175 -29.807 1.00 68.57 ? 240 TYR o O 1 ? ? +46002 ATOM N N . ALA AG 13 238 ? -40.512 23.518 -30.350 1.00 71.11 ? 241 ALA o N 1 ? ? +46003 ATOM C CA . ALA AG 13 238 ? -40.324 24.900 -30.754 1.00 72.24 ? 241 ALA o CA 1 ? ? +46004 ATOM C CB . ALA AG 13 238 ? -40.083 24.984 -32.250 1.00 72.38 ? 241 ALA o CB 1 ? ? +46005 ATOM C C . ALA AG 13 238 ? -41.543 25.726 -30.357 1.00 74.06 ? 241 ALA o C 1 ? ? +46006 ATOM O O . ALA AG 13 238 ? -42.663 25.219 -30.376 1.00 74.47 ? 241 ALA o O 1 ? ? +46007 ATOM N N . SER AG 13 239 ? -41.304 26.979 -29.955 1.00 75.43 ? 242 SER o N 1 ? ? +46008 ATOM C CA . SER AG 13 239 ? -42.376 27.948 -29.799 1.00 77.86 ? 242 SER o CA 1 ? ? +46009 ATOM C CB . SER AG 13 239 ? -42.416 28.524 -28.386 1.00 78.33 ? 242 SER o CB 1 ? ? +46010 ATOM O OG . SER AG 13 239 ? -41.206 29.184 -28.069 1.00 78.41 ? 242 SER o OG 1 ? ? +46011 ATOM C C . SER AG 13 239 ? -42.226 29.053 -30.843 1.00 79.09 ? 242 SER o C 1 ? ? +46012 ATOM O O . SER AG 13 239 ? -41.172 29.675 -30.953 1.00 78.94 ? 242 SER o O 1 ? ? +46013 ATOM N N . ILE AG 13 240 ? -43.294 29.257 -31.616 1.00 80.75 ? 243 ILE o N 1 ? ? +46014 ATOM C CA . ILE AG 13 240 ? -43.377 30.320 -32.599 1.00 82.12 ? 243 ILE o CA 1 ? ? +46015 ATOM C CB . ILE AG 13 240 ? -44.120 29.840 -33.868 1.00 82.57 ? 243 ILE o CB 1 ? ? +46016 ATOM C CG1 . ILE AG 13 240 ? -43.545 28.524 -34.407 1.00 81.90 ? 243 ILE o CG1 1 ? ? +46017 ATOM C CG2 . ILE AG 13 240 ? -44.115 30.931 -34.943 1.00 83.12 ? 243 ILE o CG2 1 ? ? +46018 ATOM C CD1 . ILE AG 13 240 ? -44.499 27.787 -35.310 1.00 82.46 ? 243 ILE o CD1 1 ? ? +46019 ATOM C C . ILE AG 13 240 ? -44.116 31.487 -31.957 1.00 83.59 ? 243 ILE o C 1 ? ? +46020 ATOM O O . ILE AG 13 240 ? -45.025 31.270 -31.160 1.00 83.72 ? 243 ILE o O 1 ? ? +46021 ATOM N N . GLU AG 13 241 ? -43.716 32.711 -32.316 1.00 85.18 ? 244 GLU o N 1 ? ? +46022 ATOM C CA . GLU AG 13 241 ? -44.464 33.897 -31.938 1.00 87.44 ? 244 GLU o CA 1 ? ? +46023 ATOM C CB . GLU AG 13 241 ? -44.074 34.348 -30.525 1.00 87.97 ? 244 GLU o CB 1 ? ? +46024 ATOM C CG . GLU AG 13 241 ? -42.703 34.991 -30.433 1.00 88.59 ? 244 GLU o CG 1 ? ? +46025 ATOM C CD . GLU AG 13 241 ? -42.158 35.112 -29.030 1.00 89.43 ? 244 GLU o CD 1 ? ? +46026 ATOM O OE1 . GLU AG 13 241 ? -42.845 34.667 -28.082 1.00 90.58 ? 244 GLU o OE1 1 ? ? +46027 ATOM O OE2 . GLU AG 13 241 ? -41.036 35.644 -28.880 1.00 90.78 ? 244 GLU o OE2 1 ? ? +46028 ATOM C C . GLU AG 13 241 ? -44.244 35.006 -32.965 1.00 88.51 ? 244 GLU o C 1 ? ? +46029 ATOM O O . GLU AG 13 241 ? -43.191 35.068 -33.600 1.00 87.38 ? 244 GLU o O 1 ? ? +46030 ATOM N N . PRO AG 13 242 ? -45.242 35.892 -33.192 1.00 90.70 ? 245 PRO o N 1 ? ? +46031 ATOM C CA . PRO AG 13 242 ? -45.087 36.989 -34.147 1.00 91.98 ? 245 PRO o CA 1 ? ? +46032 ATOM C CB . PRO AG 13 242 ? -46.509 37.534 -34.285 1.00 92.87 ? 245 PRO o CB 1 ? ? +46033 ATOM C CG . PRO AG 13 242 ? -47.174 37.180 -32.998 1.00 92.73 ? 245 PRO o CG 1 ? ? +46034 ATOM C CD . PRO AG 13 242 ? -46.572 35.870 -32.560 1.00 91.69 ? 245 PRO o CD 1 ? ? +46035 ATOM C C . PRO AG 13 242 ? -44.088 38.024 -33.635 1.00 92.95 ? 245 PRO o C 1 ? ? +46036 ATOM O O . PRO AG 13 242 ? -44.089 38.349 -32.453 1.00 92.45 ? 245 PRO o O 1 ? ? +46037 ATOM N N . ALA AG 13 243 ? -43.242 38.524 -34.543 1.00 95.54 ? 246 ALA o N 1 ? ? +46038 ATOM C CA . ALA AG 13 243 ? -42.210 39.498 -34.210 1.00 97.87 ? 246 ALA o CA 1 ? ? +46039 ATOM C CB . ALA AG 13 243 ? -40.983 39.255 -35.058 1.00 96.89 ? 246 ALA o CB 1 ? ? +46040 ATOM C C . ALA AG 13 243 ? -42.677 40.963 -34.373 1.00 102.42 ? 246 ALA o C 1 ? ? +46041 ATOM O O . ALA AG 13 243 ? -43.816 41.225 -34.797 1.00 103.57 ? 246 ALA o O 1 ? ? +46042 ATOM O OXT . ALA AG 13 243 ? -41.911 41.881 -34.050 1.00 105.68 ? 246 ALA o OXT 1 ? ? +46043 HETATM N N . FME AH 14 1 ? 3.276 -9.134 -25.128 1.00 52.53 ? 1 FME t N 1 ? ? +46044 HETATM C CN . FME AH 14 1 ? 2.097 -8.858 -24.582 1.00 52.51 ? 1 FME t CN 1 ? ? +46045 HETATM O O1 . FME AH 14 1 ? 1.758 -9.161 -23.434 1.00 52.46 ? 1 FME t O1 1 ? ? +46046 HETATM C CA . FME AH 14 1 ? 4.271 -9.901 -24.399 1.00 52.57 ? 1 FME t CA 1 ? ? +46047 HETATM C CB . FME AH 14 1 ? 5.407 -10.378 -25.307 1.00 54.37 ? 1 FME t CB 1 ? ? +46048 HETATM C CG . FME AH 14 1 ? 6.481 -9.350 -25.489 1.00 57.13 ? 1 FME t CG 1 ? ? +46049 HETATM S SD . FME AH 14 1 ? 7.506 -9.758 -26.918 1.00 62.53 ? 1 FME t SD 1 ? ? +46050 HETATM C CE . FME AH 14 1 ? 8.946 -8.746 -26.579 1.00 64.90 ? 1 FME t CE 1 ? ? +46051 HETATM C C . FME AH 14 1 ? 4.825 -9.103 -23.214 1.00 50.18 ? 1 FME t C 1 ? ? +46052 HETATM O O . FME AH 14 1 ? 4.872 -9.706 -22.129 1.00 49.51 ? 1 FME t O 1 ? ? +46053 ATOM N N . GLU AH 14 2 ? 4.661 -7.803 -23.326 1.00 48.23 ? 2 GLU t N 1 ? ? +46054 ATOM C CA . GLU AH 14 2 ? 5.119 -7.096 -22.128 1.00 47.83 ? 2 GLU t CA 1 ? ? +46055 ATOM C CB . GLU AH 14 2 ? 5.677 -5.707 -22.486 1.00 48.79 ? 2 GLU t CB 1 ? ? +46056 ATOM C CG . GLU AH 14 2 ? 4.723 -4.726 -23.136 1.00 49.70 ? 2 GLU t CG 1 ? ? +46057 ATOM C CD . GLU AH 14 2 ? 4.369 -4.990 -24.583 1.00 50.95 ? 2 GLU t CD 1 ? ? +46058 ATOM O OE1 . GLU AH 14 2 ? 4.707 -6.071 -25.115 1.00 51.28 ? 2 GLU t OE1 1 ? ? +46059 ATOM O OE2 . GLU AH 14 2 ? 3.706 -4.114 -25.181 1.00 53.50 ? 2 GLU t OE2 1 ? ? +46060 ATOM C C . GLU AH 14 2 ? 4.038 -7.025 -21.046 1.00 46.68 ? 2 GLU t C 1 ? ? +46061 ATOM O O . GLU AH 14 2 ? 4.337 -7.184 -19.866 1.00 46.13 ? 2 GLU t O 1 ? ? +46062 ATOM N N . THR AH 14 3 ? 2.775 -6.851 -21.445 1.00 45.90 ? 3 THR t N 1 ? ? +46063 ATOM C CA . THR AH 14 3 ? 1.678 -6.898 -20.488 1.00 45.55 ? 3 THR t CA 1 ? ? +46064 ATOM C CB . THR AH 14 3 ? 0.339 -6.686 -21.197 1.00 46.00 ? 3 THR t CB 1 ? ? +46065 ATOM O OG1 . THR AH 14 3 ? 0.409 -5.474 -21.964 1.00 46.39 ? 3 THR t OG1 1 ? ? +46066 ATOM C CG2 . THR AH 14 3 ? -0.825 -6.645 -20.240 1.00 46.22 ? 3 THR t CG2 1 ? ? +46067 ATOM C C . THR AH 14 3 ? 1.711 -8.219 -19.727 1.00 44.82 ? 3 THR t C 1 ? ? +46068 ATOM O O . THR AH 14 3 ? 1.637 -8.251 -18.503 1.00 44.75 ? 3 THR t O 1 ? ? +46069 ATOM N N . ILE AH 14 4 ? 1.865 -9.320 -20.464 1.00 44.32 ? 4 ILE t N 1 ? ? +46070 ATOM C CA . ILE AH 14 4 ? 1.936 -10.637 -19.851 1.00 44.08 ? 4 ILE t CA 1 ? ? +46071 ATOM C CB . ILE AH 14 4 ? 2.076 -11.734 -20.933 1.00 44.30 ? 4 ILE t CB 1 ? ? +46072 ATOM C CG1 . ILE AH 14 4 ? 0.790 -11.838 -21.787 1.00 44.55 ? 4 ILE t CG1 1 ? ? +46073 ATOM C CG2 . ILE AH 14 4 ? 2.428 -13.086 -20.312 1.00 44.49 ? 4 ILE t CG2 1 ? ? +46074 ATOM C CD1 . ILE AH 14 4 ? 0.954 -12.528 -23.103 1.00 44.38 ? 4 ILE t CD1 1 ? ? +46075 ATOM C C . ILE AH 14 4 ? 3.072 -10.702 -18.835 1.00 43.54 ? 4 ILE t C 1 ? ? +46076 ATOM O O . ILE AH 14 4 ? 2.881 -11.191 -17.719 1.00 43.47 ? 4 ILE t O 1 ? ? +46077 ATOM N N . THR AH 14 5 ? 4.255 -10.217 -19.242 1.00 42.96 ? 5 THR t N 1 ? ? +46078 ATOM C CA . THR AH 14 5 ? 5.408 -10.210 -18.359 1.00 42.64 ? 5 THR t CA 1 ? ? +46079 ATOM C CB . THR AH 14 5 ? 6.644 -9.568 -19.023 1.00 42.39 ? 5 THR t CB 1 ? ? +46080 ATOM O OG1 . THR AH 14 5 ? 6.940 -10.242 -20.246 1.00 42.04 ? 5 THR t OG1 1 ? ? +46081 ATOM C CG2 . THR AH 14 5 ? 7.850 -9.593 -18.093 1.00 42.42 ? 5 THR t CG2 1 ? ? +46082 ATOM C C . THR AH 14 5 ? 5.094 -9.470 -17.066 1.00 42.72 ? 5 THR t C 1 ? ? +46083 ATOM O O . THR AH 14 5 ? 5.356 -9.981 -15.986 1.00 42.73 ? 5 THR t O 1 ? ? +46084 ATOM N N . TYR AH 14 6 ? 4.563 -8.250 -17.185 1.00 42.83 ? 6 TYR t N 1 ? ? +46085 ATOM C CA . TYR AH 14 6 ? 4.261 -7.450 -16.006 1.00 43.09 ? 6 TYR t CA 1 ? ? +46086 ATOM C CB . TYR AH 14 6 ? 3.692 -6.067 -16.357 1.00 43.17 ? 6 TYR t CB 1 ? ? +46087 ATOM C CG . TYR AH 14 6 ? 4.556 -5.216 -17.246 1.00 43.01 ? 6 TYR t CG 1 ? ? +46088 ATOM C CD1 . TYR AH 14 6 ? 5.935 -5.125 -17.039 1.00 42.96 ? 6 TYR t CD1 1 ? ? +46089 ATOM C CD2 . TYR AH 14 6 ? 3.998 -4.456 -18.263 1.00 42.95 ? 6 TYR t CD2 1 ? ? +46090 ATOM C CE1 . TYR AH 14 6 ? 6.736 -4.322 -17.851 1.00 42.87 ? 6 TYR t CE1 1 ? ? +46091 ATOM C CE2 . TYR AH 14 6 ? 4.782 -3.660 -19.079 1.00 42.97 ? 6 TYR t CE2 1 ? ? +46092 ATOM C CZ . TYR AH 14 6 ? 6.156 -3.597 -18.870 1.00 42.90 ? 6 TYR t CZ 1 ? ? +46093 ATOM O OH . TYR AH 14 6 ? 6.894 -2.808 -19.695 1.00 42.99 ? 6 TYR t OH 1 ? ? +46094 ATOM C C . TYR AH 14 6 ? 3.270 -8.139 -15.070 1.00 43.32 ? 6 TYR t C 1 ? ? +46095 ATOM O O . TYR AH 14 6 ? 3.436 -8.099 -13.853 1.00 43.49 ? 6 TYR t O 1 ? ? +46096 ATOM N N . VAL AH 14 7 ? 2.239 -8.769 -15.635 1.00 43.44 ? 7 VAL t N 1 ? ? +46097 ATOM C CA . VAL AH 14 7 ? 1.223 -9.402 -14.806 1.00 43.82 ? 7 VAL t CA 1 ? ? +46098 ATOM C CB . VAL AH 14 7 ? -0.101 -9.685 -15.582 1.00 43.79 ? 7 VAL t CB 1 ? ? +46099 ATOM C CG1 . VAL AH 14 7 ? -1.128 -10.373 -14.687 1.00 44.02 ? 7 VAL t CG1 1 ? ? +46100 ATOM C CG2 . VAL AH 14 7 ? -0.666 -8.407 -16.163 1.00 43.84 ? 7 VAL t CG2 1 ? ? +46101 ATOM C C . VAL AH 14 7 ? 1.799 -10.677 -14.190 1.00 44.01 ? 7 VAL t C 1 ? ? +46102 ATOM O O . VAL AH 14 7 ? 1.503 -11.021 -13.043 1.00 44.26 ? 7 VAL t O 1 ? ? +46103 ATOM N N . PHE AH 14 8 ? 2.614 -11.391 -14.968 1.00 44.03 ? 8 PHE t N 1 ? ? +46104 ATOM C CA . PHE AH 14 8 ? 3.273 -12.584 -14.459 1.00 44.34 ? 8 PHE t CA 1 ? ? +46105 ATOM C CB . PHE AH 14 8 ? 4.189 -13.177 -15.531 1.00 44.44 ? 8 PHE t CB 1 ? ? +46106 ATOM C CG . PHE AH 14 8 ? 5.058 -14.290 -15.033 1.00 44.70 ? 8 PHE t CG 1 ? ? +46107 ATOM C CD1 . PHE AH 14 8 ? 4.518 -15.504 -14.690 1.00 44.96 ? 8 PHE t CD1 1 ? ? +46108 ATOM C CD2 . PHE AH 14 8 ? 6.421 -14.108 -14.878 1.00 45.01 ? 8 PHE t CD2 1 ? ? +46109 ATOM C CE1 . PHE AH 14 8 ? 5.322 -16.527 -14.208 1.00 45.25 ? 8 PHE t CE1 1 ? ? +46110 ATOM C CE2 . PHE AH 14 8 ? 7.221 -15.130 -14.391 1.00 45.01 ? 8 PHE t CE2 1 ? ? +46111 ATOM C CZ . PHE AH 14 8 ? 6.665 -16.333 -14.058 1.00 45.19 ? 8 PHE t CZ 1 ? ? +46112 ATOM C C . PHE AH 14 8 ? 4.077 -12.309 -13.189 1.00 44.27 ? 8 PHE t C 1 ? ? +46113 ATOM O O . PHE AH 14 8 ? 3.941 -13.006 -12.189 1.00 44.58 ? 8 PHE t O 1 ? ? +46114 ATOM N N . ILE AH 14 9 ? 4.907 -11.272 -13.227 1.00 44.12 ? 9 ILE t N 1 ? ? +46115 ATOM C CA . ILE AH 14 9 ? 5.767 -10.951 -12.096 1.00 44.17 ? 9 ILE t CA 1 ? ? +46116 ATOM C CB . ILE AH 14 9 ? 6.789 -9.850 -12.464 1.00 43.98 ? 9 ILE t CB 1 ? ? +46117 ATOM C CG1 . ILE AH 14 9 ? 7.709 -10.312 -13.569 1.00 43.78 ? 9 ILE t CG1 1 ? ? +46118 ATOM C CG2 . ILE AH 14 9 ? 7.572 -9.435 -11.234 1.00 44.15 ? 9 ILE t CG2 1 ? ? +46119 ATOM C CD1 . ILE AH 14 9 ? 8.595 -9.159 -14.175 1.00 43.79 ? 9 ILE t CD1 1 ? ? +46120 ATOM C C . ILE AH 14 9 ? 4.936 -10.566 -10.873 1.00 44.24 ? 9 ILE t C 1 ? ? +46121 ATOM O O . ILE AH 14 9 ? 5.181 -11.039 -9.769 1.00 44.20 ? 9 ILE t O 1 ? ? +46122 ATOM N N . PHE AH 14 10 ? 3.956 -9.690 -11.082 1.00 44.41 ? 10 PHE t N 1 ? ? +46123 ATOM C CA . PHE AH 14 10 ? 2.985 -9.371 -10.041 1.00 44.71 ? 10 PHE t CA 1 ? ? +46124 ATOM C CB . PHE AH 14 10 ? 1.913 -8.500 -10.636 1.00 44.85 ? 10 PHE t CB 1 ? ? +46125 ATOM C CG . PHE AH 14 10 ? 0.820 -8.129 -9.675 1.00 45.42 ? 10 PHE t CG 1 ? ? +46126 ATOM C CD1 . PHE AH 14 10 ? 1.036 -7.185 -8.689 1.00 45.72 ? 10 PHE t CD1 1 ? ? +46127 ATOM C CD2 . PHE AH 14 10 ? -0.438 -8.732 -9.757 1.00 45.54 ? 10 PHE t CD2 1 ? ? +46128 ATOM C CE1 . PHE AH 14 10 ? 0.004 -6.826 -7.824 1.00 46.15 ? 10 PHE t CE1 1 ? ? +46129 ATOM C CE2 . PHE AH 14 10 ? -1.444 -8.385 -8.882 1.00 45.90 ? 10 PHE t CE2 1 ? ? +46130 ATOM C CZ . PHE AH 14 10 ? -1.233 -7.433 -7.927 1.00 46.14 ? 10 PHE t CZ 1 ? ? +46131 ATOM C C . PHE AH 14 10 ? 2.389 -10.620 -9.390 1.00 44.66 ? 10 PHE t C 1 ? ? +46132 ATOM O O . PHE AH 14 10 ? 2.385 -10.757 -8.170 1.00 44.88 ? 10 PHE t O 1 ? ? +46133 ATOM N N . ALA AH 14 11 ? 1.941 -11.563 -10.213 1.00 44.50 ? 11 ALA t N 1 ? ? +46134 ATOM C CA . ALA AH 14 11 ? 1.306 -12.772 -9.713 1.00 44.71 ? 11 ALA t CA 1 ? ? +46135 ATOM C CB . ALA AH 14 11 ? 0.789 -13.597 -10.876 1.00 44.57 ? 11 ALA t CB 1 ? ? +46136 ATOM C C . ALA AH 14 11 ? 2.246 -13.609 -8.851 1.00 44.87 ? 11 ALA t C 1 ? ? +46137 ATOM O O . ALA AH 14 11 ? 1.825 -14.176 -7.843 1.00 45.07 ? 11 ALA t O 1 ? ? +46138 ATOM N N . CYS AH 14 12 ? 3.519 -13.695 -9.271 1.00 44.70 ? 12 CYS t N 1 ? ? +46139 ATOM C CA . CYS AH 14 12 ? 4.541 -14.375 -8.488 1.00 44.80 ? 12 CYS t CA 1 ? ? +46140 ATOM C CB . CYS AH 14 12 ? 5.861 -14.405 -9.253 1.00 44.74 ? 12 CYS t CB 1 ? ? +46141 ATOM S SG . CYS AH 14 12 ? 5.832 -15.466 -10.721 1.00 44.89 ? 12 CYS t SG 1 ? ? +46142 ATOM C C . CYS AH 14 12 ? 4.725 -13.758 -7.102 1.00 44.89 ? 12 CYS t C 1 ? ? +46143 ATOM O O . CYS AH 14 12 ? 4.876 -14.474 -6.113 1.00 44.98 ? 12 CYS t O 1 ? ? +46144 ATOM N N . ILE AH 14 13 ? 4.704 -12.424 -7.043 1.00 44.87 ? 13 ILE t N 1 ? ? +46145 ATOM C CA . ILE AH 14 13 ? 4.822 -11.719 -5.781 1.00 45.18 ? 13 ILE t CA 1 ? ? +46146 ATOM C CB . ILE AH 14 13 ? 4.956 -10.205 -6.012 1.00 45.32 ? 13 ILE t CB 1 ? ? +46147 ATOM C CG1 . ILE AH 14 13 ? 6.220 -9.864 -6.811 1.00 45.26 ? 13 ILE t CG1 1 ? ? +46148 ATOM C CG2 . ILE AH 14 13 ? 4.957 -9.454 -4.681 1.00 45.70 ? 13 ILE t CG2 1 ? ? +46149 ATOM C CD1 . ILE AH 14 13 ? 6.330 -8.350 -7.178 1.00 45.32 ? 13 ILE t CD1 1 ? ? +46150 ATOM C C . ILE AH 14 13 ? 3.650 -12.044 -4.856 1.00 45.53 ? 13 ILE t C 1 ? ? +46151 ATOM O O . ILE AH 14 13 ? 3.867 -12.328 -3.679 1.00 45.89 ? 13 ILE t O 1 ? ? +46152 ATOM N N . ILE AH 14 14 ? 2.409 -12.008 -5.376 1.00 45.41 ? 14 ILE t N 1 ? ? +46153 ATOM C CA . ILE AH 14 14 ? 1.250 -12.325 -4.556 1.00 45.63 ? 14 ILE t CA 1 ? ? +46154 ATOM C CB . ILE AH 14 14 ? -0.109 -12.166 -5.303 1.00 45.68 ? 14 ILE t CB 1 ? ? +46155 ATOM C CG1 . ILE AH 14 14 ? -0.279 -10.758 -5.850 1.00 45.57 ? 14 ILE t CG1 1 ? ? +46156 ATOM C CG2 . ILE AH 14 14 ? -1.279 -12.542 -4.409 1.00 46.13 ? 14 ILE t CG2 1 ? ? +46157 ATOM C CD1 . ILE AH 14 14 ? -0.046 -9.659 -4.831 1.00 45.78 ? 14 ILE t CD1 1 ? ? +46158 ATOM C C . ILE AH 14 14 ? 1.401 -13.744 -4.024 1.00 45.72 ? 14 ILE t C 1 ? ? +46159 ATOM O O . ILE AH 14 14 ? 1.174 -13.975 -2.844 1.00 46.16 ? 14 ILE t O 1 ? ? +46160 ATOM N N . ALA AH 14 15 ? 1.799 -14.687 -4.888 1.00 45.42 ? 15 ALA t N 1 ? ? +46161 ATOM C CA . ALA AH 14 15 ? 2.039 -16.055 -4.457 1.00 45.58 ? 15 ALA t CA 1 ? ? +46162 ATOM C CB . ALA AH 14 15 ? 2.469 -16.907 -5.635 1.00 45.29 ? 15 ALA t CB 1 ? ? +46163 ATOM C C . ALA AH 14 15 ? 3.080 -16.133 -3.341 1.00 45.89 ? 15 ALA t C 1 ? ? +46164 ATOM O O . ALA AH 14 15 ? 2.876 -16.847 -2.364 1.00 46.18 ? 15 ALA t O 1 ? ? +46165 ATOM N N . LEU AH 14 16 ? 4.206 -15.412 -3.505 1.00 45.91 ? 16 LEU t N 1 ? ? +46166 ATOM C CA . LEU AH 14 16 ? 5.254 -15.380 -2.498 1.00 46.16 ? 16 LEU t CA 1 ? ? +46167 ATOM C CB . LEU AH 14 16 ? 6.382 -14.454 -2.958 1.00 45.92 ? 16 LEU t CB 1 ? ? +46168 ATOM C CG . LEU AH 14 16 ? 7.535 -14.253 -1.970 1.00 46.18 ? 16 LEU t CG 1 ? ? +46169 ATOM C CD1 . LEU AH 14 16 ? 8.171 -15.532 -1.610 1.00 46.27 ? 16 LEU t CD1 1 ? ? +46170 ATOM C CD2 . LEU AH 14 16 ? 8.623 -13.346 -2.552 1.00 46.01 ? 16 LEU t CD2 1 ? ? +46171 ATOM C C . LEU AH 14 16 ? 4.729 -14.919 -1.139 1.00 46.82 ? 16 LEU t C 1 ? ? +46172 ATOM O O . LEU AH 14 16 ? 5.108 -15.475 -0.113 1.00 46.90 ? 16 LEU t O 1 ? ? +46173 ATOM N N . PHE AH 14 17 ? 3.854 -13.900 -1.133 1.00 47.32 ? 17 PHE t N 1 ? ? +46174 ATOM C CA . PHE AH 14 17 ? 3.213 -13.453 0.097 1.00 48.11 ? 17 PHE t CA 1 ? ? +46175 ATOM C CB . PHE AH 14 17 ? 2.157 -12.353 -0.155 1.00 48.36 ? 17 PHE t CB 1 ? ? +46176 ATOM C CG . PHE AH 14 17 ? 2.650 -11.010 -0.643 1.00 48.30 ? 17 PHE t CG 1 ? ? +46177 ATOM C CD1 . PHE AH 14 17 ? 4.009 -10.731 -0.723 1.00 48.28 ? 17 PHE t CD1 1 ? ? +46178 ATOM C CD2 . PHE AH 14 17 ? 1.753 -10.019 -1.009 1.00 48.37 ? 17 PHE t CD2 1 ? ? +46179 ATOM C CE1 . PHE AH 14 17 ? 4.451 -9.491 -1.163 1.00 48.18 ? 17 PHE t CE1 1 ? ? +46180 ATOM C CE2 . PHE AH 14 17 ? 2.199 -8.786 -1.459 1.00 48.25 ? 17 PHE t CE2 1 ? ? +46181 ATOM C CZ . PHE AH 14 17 ? 3.540 -8.526 -1.525 1.00 48.24 ? 17 PHE t CZ 1 ? ? +46182 ATOM C C . PHE AH 14 17 ? 2.507 -14.605 0.799 1.00 48.58 ? 17 PHE t C 1 ? ? +46183 ATOM O O . PHE AH 14 17 ? 2.579 -14.737 2.017 1.00 48.65 ? 17 PHE t O 1 ? ? +46184 ATOM N N . PHE AH 14 18 ? 1.822 -15.431 0.006 1.00 49.03 ? 18 PHE t N 1 ? ? +46185 ATOM C CA . PHE AH 14 18 ? 1.063 -16.554 0.532 1.00 49.95 ? 18 PHE t CA 1 ? ? +46186 ATOM C CB . PHE AH 14 18 ? 0.362 -17.312 -0.598 1.00 49.92 ? 18 PHE t CB 1 ? ? +46187 ATOM C CG . PHE AH 14 18 ? -0.451 -18.466 -0.099 1.00 50.58 ? 18 PHE t CG 1 ? ? +46188 ATOM C CD1 . PHE AH 14 18 ? -1.685 -18.259 0.500 1.00 51.20 ? 18 PHE t CD1 1 ? ? +46189 ATOM C CD2 . PHE AH 14 18 ? 0.022 -19.761 -0.197 1.00 50.77 ? 18 PHE t CD2 1 ? ? +46190 ATOM C CE1 . PHE AH 14 18 ? -2.435 -19.333 0.963 1.00 51.49 ? 18 PHE t CE1 1 ? ? +46191 ATOM C CE2 . PHE AH 14 18 ? -0.738 -20.830 0.269 1.00 51.14 ? 18 PHE t CE2 1 ? ? +46192 ATOM C CZ . PHE AH 14 18 ? -1.951 -20.607 0.848 1.00 51.45 ? 18 PHE t CZ 1 ? ? +46193 ATOM C C . PHE AH 14 18 ? 1.952 -17.511 1.312 1.00 50.50 ? 18 PHE t C 1 ? ? +46194 ATOM O O . PHE AH 14 18 ? 1.634 -17.852 2.454 1.00 50.86 ? 18 PHE t O 1 ? ? +46195 ATOM N N . PHE AH 14 19 ? 3.059 -17.928 0.677 1.00 50.69 ? 19 PHE t N 1 ? ? +46196 ATOM C CA . PHE AH 14 19 ? 3.986 -18.861 1.297 1.00 51.11 ? 19 PHE t CA 1 ? ? +46197 ATOM C CB . PHE AH 14 19 ? 4.998 -19.381 0.293 1.00 51.65 ? 19 PHE t CB 1 ? ? +46198 ATOM C CG . PHE AH 14 19 ? 4.360 -20.242 -0.740 1.00 52.60 ? 19 PHE t CG 1 ? ? +46199 ATOM C CD1 . PHE AH 14 19 ? 3.996 -21.544 -0.448 1.00 53.69 ? 19 PHE t CD1 1 ? ? +46200 ATOM C CD2 . PHE AH 14 19 ? 4.066 -19.740 -1.992 1.00 53.17 ? 19 PHE t CD2 1 ? ? +46201 ATOM C CE1 . PHE AH 14 19 ? 3.348 -22.330 -1.403 1.00 54.12 ? 19 PHE t CE1 1 ? ? +46202 ATOM C CE2 . PHE AH 14 19 ? 3.429 -20.533 -2.949 1.00 53.39 ? 19 PHE t CE2 1 ? ? +46203 ATOM C CZ . PHE AH 14 19 ? 3.079 -21.819 -2.649 1.00 53.82 ? 19 PHE t CZ 1 ? ? +46204 ATOM C C . PHE AH 14 19 ? 4.702 -18.215 2.473 1.00 50.83 ? 19 PHE t C 1 ? ? +46205 ATOM O O . PHE AH 14 19 ? 4.971 -18.871 3.464 1.00 51.19 ? 19 PHE t O 1 ? ? +46206 ATOM N N . ALA AH 14 20 ? 5.006 -16.924 2.356 1.00 50.48 ? 20 ALA t N 1 ? ? +46207 ATOM C CA . ALA AH 14 20 ? 5.754 -16.226 3.388 1.00 50.48 ? 20 ALA t CA 1 ? ? +46208 ATOM C CB . ALA AH 14 20 ? 6.218 -14.876 2.877 1.00 50.15 ? 20 ALA t CB 1 ? ? +46209 ATOM C C . ALA AH 14 20 ? 4.933 -16.059 4.664 1.00 50.93 ? 20 ALA t C 1 ? ? +46210 ATOM O O . ALA AH 14 20 ? 5.486 -15.997 5.750 1.00 51.12 ? 20 ALA t O 1 ? ? +46211 ATOM N N . ILE AH 14 21 ? 3.603 -15.972 4.536 1.00 51.17 ? 21 ILE t N 1 ? ? +46212 ATOM C CA . ILE AH 14 21 ? 2.759 -15.836 5.711 1.00 51.60 ? 21 ILE t CA 1 ? ? +46213 ATOM C CB . ILE AH 14 21 ? 1.535 -14.987 5.385 1.00 51.70 ? 21 ILE t CB 1 ? ? +46214 ATOM C CG1 . ILE AH 14 21 ? 1.956 -13.531 5.242 1.00 51.52 ? 21 ILE t CG1 1 ? ? +46215 ATOM C CG2 . ILE AH 14 21 ? 0.411 -15.146 6.430 1.00 52.33 ? 21 ILE t CG2 1 ? ? +46216 ATOM C CD1 . ILE AH 14 21 ? 0.904 -12.663 4.601 1.00 51.52 ? 21 ILE t CD1 1 ? ? +46217 ATOM C C . ILE AH 14 21 ? 2.424 -17.208 6.281 1.00 52.10 ? 21 ILE t C 1 ? ? +46218 ATOM O O . ILE AH 14 21 ? 2.675 -17.465 7.452 1.00 52.58 ? 21 ILE t O 1 ? ? +46219 ATOM N N . PHE AH 14 22 ? 1.901 -18.101 5.445 1.00 52.41 ? 22 PHE t N 1 ? ? +46220 ATOM C CA . PHE AH 14 22 ? 1.359 -19.352 5.943 1.00 53.44 ? 22 PHE t CA 1 ? ? +46221 ATOM C CB . PHE AH 14 22 ? 0.144 -19.769 5.096 1.00 53.42 ? 22 PHE t CB 1 ? ? +46222 ATOM C CG . PHE AH 14 22 ? -0.995 -18.784 5.190 1.00 53.49 ? 22 PHE t CG 1 ? ? +46223 ATOM C CD1 . PHE AH 14 22 ? -1.768 -18.703 6.330 1.00 54.13 ? 22 PHE t CD1 1 ? ? +46224 ATOM C CD2 . PHE AH 14 22 ? -1.261 -17.911 4.155 1.00 53.23 ? 22 PHE t CD2 1 ? ? +46225 ATOM C CE1 . PHE AH 14 22 ? -2.814 -17.789 6.417 1.00 54.34 ? 22 PHE t CE1 1 ? ? +46226 ATOM C CE2 . PHE AH 14 22 ? -2.295 -16.991 4.250 1.00 53.48 ? 22 PHE t CE2 1 ? ? +46227 ATOM C CZ . PHE AH 14 22 ? -3.072 -16.941 5.376 1.00 54.01 ? 22 PHE t CZ 1 ? ? +46228 ATOM C C . PHE AH 14 22 ? 2.384 -20.478 6.013 1.00 54.00 ? 22 PHE t C 1 ? ? +46229 ATOM O O . PHE AH 14 22 ? 2.216 -21.407 6.784 1.00 54.60 ? 22 PHE t O 1 ? ? +46230 ATOM N N . PHE AH 14 23 ? 3.440 -20.414 5.207 1.00 54.57 ? 23 PHE t N 1 ? ? +46231 ATOM C CA . PHE AH 14 23 ? 4.477 -21.434 5.260 1.00 55.74 ? 23 PHE t CA 1 ? ? +46232 ATOM C CB . PHE AH 14 23 ? 4.541 -22.185 3.920 1.00 56.18 ? 23 PHE t CB 1 ? ? +46233 ATOM C CG . PHE AH 14 23 ? 3.287 -22.984 3.638 1.00 57.23 ? 23 PHE t CG 1 ? ? +46234 ATOM C CD1 . PHE AH 14 23 ? 3.003 -24.134 4.352 1.00 58.52 ? 23 PHE t CD1 1 ? ? +46235 ATOM C CD2 . PHE AH 14 23 ? 2.375 -22.563 2.688 1.00 57.32 ? 23 PHE t CD2 1 ? ? +46236 ATOM C CE1 . PHE AH 14 23 ? 1.851 -24.873 4.089 1.00 58.96 ? 23 PHE t CE1 1 ? ? +46237 ATOM C CE2 . PHE AH 14 23 ? 1.224 -23.294 2.440 1.00 57.82 ? 23 PHE t CE2 1 ? ? +46238 ATOM C CZ . PHE AH 14 23 ? 0.969 -24.448 3.139 1.00 58.53 ? 23 PHE t CZ 1 ? ? +46239 ATOM C C . PHE AH 14 23 ? 5.821 -20.830 5.668 1.00 56.11 ? 23 PHE t C 1 ? ? +46240 ATOM O O . PHE AH 14 23 ? 6.860 -21.151 5.093 1.00 55.40 ? 23 PHE t O 1 ? ? +46241 ATOM N N A ARG AH 14 24 ? 5.773 -19.961 6.686 0.40 56.79 ? 24 ARG t N 1 ? ? +46242 ATOM N N B ARG AH 14 24 ? 5.785 -19.948 6.675 0.60 56.62 ? 24 ARG t N 1 ? ? +46243 ATOM C CA A ARG AH 14 24 ? 6.963 -19.362 7.262 0.40 57.29 ? 24 ARG t CA 1 ? ? +46244 ATOM C CA B ARG AH 14 24 ? 6.986 -19.366 7.246 0.60 56.98 ? 24 ARG t CA 1 ? ? +46245 ATOM C C A ARG AH 14 24 ? 7.645 -20.355 8.193 0.40 58.78 ? 24 ARG t C 1 ? ? +46246 ATOM C C B ARG AH 14 24 ? 7.675 -20.387 8.142 0.60 58.47 ? 24 ARG t C 1 ? ? +46247 ATOM O O A ARG AH 14 24 ? 7.011 -21.309 8.640 0.40 59.23 ? 24 ARG t O 1 ? ? +46248 ATOM O O B ARG AH 14 24 ? 7.080 -21.394 8.496 0.60 58.84 ? 24 ARG t O 1 ? ? +46249 ATOM C CB A ARG AH 14 24 ? 6.598 -18.098 8.050 0.40 57.09 ? 24 ARG t CB 1 ? ? +46250 ATOM C CB B ARG AH 14 24 ? 6.658 -18.101 8.057 0.60 56.64 ? 24 ARG t CB 1 ? ? +46251 ATOM C CG A ARG AH 14 24 ? 5.769 -18.358 9.284 0.40 57.33 ? 24 ARG t CG 1 ? ? +46252 ATOM C CG B ARG AH 14 24 ? 5.839 -18.340 9.303 0.60 56.78 ? 24 ARG t CG 1 ? ? +46253 ATOM C CD A ARG AH 14 24 ? 5.606 -17.115 10.125 0.40 57.38 ? 24 ARG t CD 1 ? ? +46254 ATOM C CD B ARG AH 14 24 ? 5.674 -17.083 10.126 0.60 56.73 ? 24 ARG t CD 1 ? ? +46255 ATOM N NE A ARG AH 14 24 ? 4.898 -17.418 11.362 0.40 57.82 ? 24 ARG t NE 1 ? ? +46256 ATOM N NE B ARG AH 14 24 ? 4.950 -17.370 11.357 0.60 57.11 ? 24 ARG t NE 1 ? ? +46257 ATOM C CZ A ARG AH 14 24 ? 4.651 -16.545 12.326 0.40 58.02 ? 24 ARG t CZ 1 ? ? +46258 ATOM C CZ B ARG AH 14 24 ? 4.764 -16.508 12.346 0.60 57.27 ? 24 ARG t CZ 1 ? ? +46259 ATOM N NH1 A ARG AH 14 24 ? 5.076 -15.295 12.252 0.40 57.76 ? 24 ARG t NH1 1 ? ? +46260 ATOM N NH1 B ARG AH 14 24 ? 5.079 -15.231 12.219 0.60 56.92 ? 24 ARG t NH1 1 ? ? +46261 ATOM N NH2 A ARG AH 14 24 ? 3.958 -16.935 13.392 0.40 58.56 ? 24 ARG t NH2 1 ? ? +46262 ATOM N NH2 B ARG AH 14 24 ? 4.239 -16.939 13.491 0.60 57.84 ? 24 ARG t NH2 1 ? ? +46263 ATOM N N . GLU AH 14 25 ? 8.936 -20.116 8.490 1.00 60.37 ? 25 GLU t N 1 ? ? +46264 ATOM C CA . GLU AH 14 25 ? 9.622 -20.839 9.551 1.00 62.77 ? 25 GLU t CA 1 ? ? +46265 ATOM C CB . GLU AH 14 25 ? 11.125 -20.527 9.628 1.00 64.89 ? 25 GLU t CB 1 ? ? +46266 ATOM C CG . GLU AH 14 25 ? 11.964 -21.274 8.631 1.00 66.75 ? 25 GLU t CG 1 ? ? +46267 ATOM C CD . GLU AH 14 25 ? 13.455 -20.949 8.679 1.00 69.95 ? 25 GLU t CD 1 ? ? +46268 ATOM O OE1 . GLU AH 14 25 ? 13.818 -19.747 8.597 1.00 69.93 ? 25 GLU t OE1 1 ? ? +46269 ATOM O OE2 . GLU AH 14 25 ? 14.262 -21.911 8.747 1.00 71.96 ? 25 GLU t OE2 1 ? ? +46270 ATOM C C . GLU AH 14 25 ? 8.938 -20.370 10.829 1.00 63.97 ? 25 GLU t C 1 ? ? +46271 ATOM O O . GLU AH 14 25 ? 8.969 -19.181 11.134 1.00 64.41 ? 25 GLU t O 1 ? ? +46272 ATOM N N . PRO AH 14 26 ? 8.280 -21.262 11.603 1.00 65.62 ? 26 PRO t N 1 ? ? +46273 ATOM C CA . PRO AH 14 26 ? 7.574 -20.820 12.805 1.00 67.10 ? 26 PRO t CA 1 ? ? +46274 ATOM C CB . PRO AH 14 26 ? 6.813 -22.073 13.267 1.00 67.21 ? 26 PRO t CB 1 ? ? +46275 ATOM C CG . PRO AH 14 26 ? 7.559 -23.229 12.609 1.00 66.96 ? 26 PRO t CG 1 ? ? +46276 ATOM C CD . PRO AH 14 26 ? 8.191 -22.714 11.366 1.00 65.94 ? 26 PRO t CD 1 ? ? +46277 ATOM C C . PRO AH 14 26 ? 8.584 -20.326 13.837 1.00 68.60 ? 26 PRO t C 1 ? ? +46278 ATOM O O . PRO AH 14 26 ? 9.603 -20.983 14.051 1.00 69.42 ? 26 PRO t O 1 ? ? +46279 ATOM N N A PRO AH 14 27 ? 8.355 -19.158 14.482 0.40 69.09 ? 27 PRO t N 1 ? ? +46280 ATOM N N B PRO AH 14 27 ? 8.379 -19.141 14.456 0.60 69.30 ? 27 PRO t N 1 ? ? +46281 ATOM C CA A PRO AH 14 27 ? 9.198 -18.731 15.599 0.40 70.33 ? 27 PRO t CA 1 ? ? +46282 ATOM C CA B PRO AH 14 27 ? 9.223 -18.727 15.575 0.60 70.99 ? 27 PRO t CA 1 ? ? +46283 ATOM C C A PRO AH 14 27 ? 8.995 -19.604 16.836 0.40 72.31 ? 27 PRO t C 1 ? ? +46284 ATOM C C B PRO AH 14 27 ? 9.031 -19.673 16.759 0.60 73.78 ? 27 PRO t C 1 ? ? +46285 ATOM O O A PRO AH 14 27 ? 7.864 -19.827 17.267 0.40 72.41 ? 27 PRO t O 1 ? ? +46286 ATOM O O B PRO AH 14 27 ? 7.908 -20.072 17.060 0.60 73.51 ? 27 PRO t O 1 ? ? +46287 ATOM C CB A PRO AH 14 27 ? 8.776 -17.278 15.828 0.40 69.96 ? 27 PRO t CB 1 ? ? +46288 ATOM C CB B PRO AH 14 27 ? 8.767 -17.295 15.855 0.60 70.38 ? 27 PRO t CB 1 ? ? +46289 ATOM C CG A PRO AH 14 27 ? 7.391 -17.172 15.235 0.40 69.45 ? 27 PRO t CG 1 ? ? +46290 ATOM C CG B PRO AH 14 27 ? 7.385 -17.199 15.251 0.60 69.67 ? 27 PRO t CG 1 ? ? +46291 ATOM C CD A PRO AH 14 27 ? 7.319 -18.174 14.127 0.40 68.68 ? 27 PRO t CD 1 ? ? +46292 ATOM C CD B PRO AH 14 27 ? 7.359 -18.141 14.096 0.60 68.70 ? 27 PRO t CD 1 ? ? +46293 ATOM N N A ARG AH 14 28 ? 10.111 -20.096 17.390 0.40 74.32 ? 28 ARG t N 1 ? ? +46294 ATOM N N B ARG AH 14 28 ? 10.144 -20.053 17.398 0.60 77.06 ? 28 ARG t N 1 ? ? +46295 ATOM C CA A ARG AH 14 28 ? 10.092 -20.983 18.542 0.40 76.34 ? 28 ARG t CA 1 ? ? +46296 ATOM C CA B ARG AH 14 28 ? 10.126 -20.974 18.522 0.60 80.16 ? 28 ARG t CA 1 ? ? +46297 ATOM C C A ARG AH 14 28 ? 10.837 -20.342 19.708 0.40 78.47 ? 28 ARG t C 1 ? ? +46298 ATOM C C B ARG AH 14 28 ? 10.865 -20.348 19.698 0.60 83.25 ? 28 ARG t C 1 ? ? +46299 ATOM O O A ARG AH 14 28 ? 11.921 -19.800 19.522 0.40 78.82 ? 28 ARG t O 1 ? ? +46300 ATOM O O B ARG AH 14 28 ? 11.958 -19.817 19.522 0.60 84.01 ? 28 ARG t O 1 ? ? +46301 ATOM C CB A ARG AH 14 28 ? 10.744 -22.331 18.190 0.40 76.54 ? 28 ARG t CB 1 ? ? +46302 ATOM C CB B ARG AH 14 28 ? 10.786 -22.306 18.143 0.60 80.84 ? 28 ARG t CB 1 ? ? +46303 ATOM C CG A ARG AH 14 28 ? 9.967 -23.160 17.173 0.40 76.32 ? 28 ARG t CG 1 ? ? +46304 ATOM C CG B ARG AH 14 28 ? 9.978 -23.150 17.174 0.60 81.05 ? 28 ARG t CG 1 ? ? +46305 ATOM C CD A ARG AH 14 28 ? 8.771 -23.854 17.788 0.40 76.86 ? 28 ARG t CD 1 ? ? +46306 ATOM C CD B ARG AH 14 28 ? 8.805 -23.831 17.848 0.60 81.95 ? 28 ARG t CD 1 ? ? +46307 ATOM N NE A ARG AH 14 28 ? 7.965 -24.534 16.779 0.40 76.53 ? 28 ARG t NE 1 ? ? +46308 ATOM N NE B ARG AH 14 28 ? 7.984 -24.557 16.886 0.60 81.87 ? 28 ARG t NE 1 ? ? +46309 ATOM C CZ A ARG AH 14 28 ? 6.728 -24.186 16.452 0.40 76.44 ? 28 ARG t CZ 1 ? ? +46310 ATOM C CZ B ARG AH 14 28 ? 6.762 -24.198 16.512 0.60 81.93 ? 28 ARG t CZ 1 ? ? +46311 ATOM N NH1 A ARG AH 14 28 ? 6.161 -23.100 16.951 0.40 76.76 ? 28 ARG t NH1 1 ? ? +46312 ATOM N NH1 B ARG AH 14 28 ? 6.183 -23.110 16.992 0.60 82.49 ? 28 ARG t NH1 1 ? ? +46313 ATOM N NH2 A ARG AH 14 28 ? 6.038 -24.950 15.611 0.40 76.07 ? 28 ARG t NH2 1 ? ? +46314 ATOM N NH2 B ARG AH 14 28 ? 6.107 -24.946 15.628 0.60 81.45 ? 28 ARG t NH2 1 ? ? +46315 ATOM N N A ILE AH 14 29 ? 10.249 -20.413 20.908 0.40 81.31 ? 29 ILE t N 1 ? ? +46316 ATOM N N B ILE AH 14 29 ? 10.263 -20.418 20.890 0.60 87.57 ? 29 ILE t N 1 ? ? +46317 ATOM C CA A ILE AH 14 29 ? 10.862 -19.837 22.095 0.40 83.84 ? 29 ILE t CA 1 ? ? +46318 ATOM C CA B ILE AH 14 29 ? 10.870 -19.850 22.084 0.60 91.52 ? 29 ILE t CA 1 ? ? +46319 ATOM C C A ILE AH 14 29 ? 11.894 -20.787 22.702 0.40 86.66 ? 29 ILE t C 1 ? ? +46320 ATOM C C B ILE AH 14 29 ? 11.919 -20.813 22.641 0.60 95.74 ? 29 ILE t C 1 ? ? +46321 ATOM O O A ILE AH 14 29 ? 11.644 -21.985 22.824 0.40 86.95 ? 29 ILE t O 1 ? ? +46322 ATOM O O B ILE AH 14 29 ? 11.691 -22.021 22.682 0.60 95.99 ? 29 ILE t O 1 ? ? +46323 ATOM C CB A ILE AH 14 29 ? 9.792 -19.459 23.144 0.40 83.92 ? 29 ILE t CB 1 ? ? +46324 ATOM C CB B ILE AH 14 29 ? 9.793 -19.494 23.145 0.60 91.44 ? 29 ILE t CB 1 ? ? +46325 ATOM C CG1 A ILE AH 14 29 ? 8.680 -18.589 22.527 0.40 83.59 ? 29 ILE t CG1 1 ? ? +46326 ATOM C CG1 B ILE AH 14 29 ? 8.675 -18.619 22.544 0.60 91.27 ? 29 ILE t CG1 1 ? ? +46327 ATOM C CG2 A ILE AH 14 29 ? 10.438 -18.775 24.349 0.40 84.74 ? 29 ILE t CG2 1 ? ? +46328 ATOM C CG2 B ILE AH 14 29 ? 10.423 -18.813 24.365 0.60 92.63 ? 29 ILE t CG2 1 ? ? +46329 ATOM C CD1 A ILE AH 14 29 ? 7.633 -18.089 23.530 0.40 83.92 ? 29 ILE t CD1 1 ? ? +46330 ATOM C CD1 B ILE AH 14 29 ? 7.623 -18.140 23.557 0.60 91.55 ? 29 ILE t CD1 1 ? ? +46331 ATOM N N A THR AH 14 30 ? 13.059 -20.238 23.074 0.40 89.31 ? 30 THR t N 1 ? ? +46332 ATOM N N B THR AH 14 30 ? 13.077 -20.264 23.042 0.60 99.91 ? 30 THR t N 1 ? ? +46333 ATOM C CA A THR AH 14 30 ? 14.080 -20.997 23.785 0.40 92.33 ? 30 THR t CA 1 ? ? +46334 ATOM C CA B THR AH 14 30 ? 14.052 -20.990 23.844 0.60 104.52 ? 30 THR t CA 1 ? ? +46335 ATOM C C A THR AH 14 30 ? 14.708 -20.175 24.909 0.40 93.34 ? 30 THR t C 1 ? ? +46336 ATOM C C B THR AH 14 30 ? 14.583 -20.089 24.966 0.60 106.47 ? 30 THR t C 1 ? ? +46337 ATOM O O A THR AH 14 30 ? 15.374 -19.175 24.643 0.40 93.03 ? 30 THR t O 1 ? ? +46338 ATOM O O B THR AH 14 30 ? 13.910 -19.145 25.387 0.60 107.32 ? 30 THR t O 1 ? ? +46339 ATOM O OXT A THR AH 14 30 ? 14.556 -20.519 26.082 0.40 94.10 ? 30 THR t OXT 1 ? ? +46340 ATOM C CB A THR AH 14 30 ? 15.168 -21.515 22.826 0.40 93.46 ? 30 THR t CB 1 ? ? +46341 ATOM C CB B THR AH 14 30 ? 15.225 -21.545 22.997 0.60 106.13 ? 30 THR t CB 1 ? ? +46342 ATOM O OG1 A THR AH 14 30 ? 15.500 -20.487 21.894 0.40 93.71 ? 30 THR t OG1 1 ? ? +46343 ATOM O OG1 B THR AH 14 30 ? 15.899 -20.471 22.346 0.60 105.85 ? 30 THR t OG1 1 ? ? +46344 ATOM C CG2 A THR AH 14 30 ? 14.737 -22.771 22.072 0.40 93.56 ? 30 THR t CG2 1 ? ? +46345 ATOM C CG2 B THR AH 14 30 ? 14.773 -22.578 21.964 0.60 106.18 ? 30 THR t CG2 1 ? ? +46346 ATOM N N . GLU AI 25 1 ? 0.503 19.128 -49.952 1.00 96.15 ? 8 GLU u N 1 ? ? +46347 ATOM C CA . GLU AI 25 1 ? -0.948 19.174 -49.737 1.00 95.76 ? 8 GLU u CA 1 ? ? +46348 ATOM C CB . GLU AI 25 1 ? -1.569 17.791 -50.011 1.00 99.65 ? 8 GLU u CB 1 ? ? +46349 ATOM C CG . GLU AI 25 1 ? -3.090 17.812 -50.067 1.00 105.46 ? 8 GLU u CG 1 ? ? +46350 ATOM C CD . GLU AI 25 1 ? -3.762 16.473 -49.818 1.00 110.79 ? 8 GLU u CD 1 ? ? +46351 ATOM O OE1 . GLU AI 25 1 ? -3.216 15.440 -50.267 1.00 113.93 ? 8 GLU u OE1 1 ? ? +46352 ATOM O OE2 . GLU AI 25 1 ? -4.849 16.459 -49.196 1.00 113.68 ? 8 GLU u OE2 1 ? ? +46353 ATOM C C . GLU AI 25 1 ? -1.316 19.614 -48.318 1.00 89.23 ? 8 GLU u C 1 ? ? +46354 ATOM O O . GLU AI 25 1 ? -2.291 20.343 -48.134 1.00 89.25 ? 8 GLU u O 1 ? ? +46355 ATOM N N . LEU AI 25 2 ? -0.542 19.131 -47.330 1.00 80.57 ? 9 LEU u N 1 ? ? +46356 ATOM C CA . LEU AI 25 2 ? -0.784 19.394 -45.921 1.00 73.43 ? 9 LEU u CA 1 ? ? +46357 ATOM C CB . LEU AI 25 2 ? -0.329 18.211 -45.053 1.00 72.76 ? 9 LEU u CB 1 ? ? +46358 ATOM C CG . LEU AI 25 2 ? -1.093 16.928 -45.241 1.00 72.60 ? 9 LEU u CG 1 ? ? +46359 ATOM C CD1 . LEU AI 25 2 ? -0.584 15.865 -44.327 1.00 71.67 ? 9 LEU u CD1 1 ? ? +46360 ATOM C CD2 . LEU AI 25 2 ? -2.614 17.123 -45.000 1.00 73.60 ? 9 LEU u CD2 1 ? ? +46361 ATOM C C . LEU AI 25 2 ? -0.038 20.648 -45.485 1.00 69.16 ? 9 LEU u C 1 ? ? +46362 ATOM O O . LEU AI 25 2 ? 1.193 20.650 -45.400 1.00 68.83 ? 9 LEU u O 1 ? ? +46363 ATOM N N A VAL AI 25 3 ? -0.801 21.706 -45.189 0.50 67.44 ? 10 VAL u N 1 ? ? +46364 ATOM N N B VAL AI 25 3 ? -0.808 21.709 -45.221 0.50 67.30 ? 10 VAL u N 1 ? ? +46365 ATOM C CA A VAL AI 25 3 ? -0.238 22.965 -44.736 0.50 66.00 ? 10 VAL u CA 1 ? ? +46366 ATOM C CA B VAL AI 25 3 ? -0.274 22.965 -44.725 0.50 65.75 ? 10 VAL u CA 1 ? ? +46367 ATOM C C A VAL AI 25 3 ? -1.045 23.471 -43.543 0.50 64.05 ? 10 VAL u C 1 ? ? +46368 ATOM C C B VAL AI 25 3 ? -1.049 23.374 -43.477 0.50 63.85 ? 10 VAL u C 1 ? ? +46369 ATOM O O A VAL AI 25 3 ? -2.269 23.355 -43.530 0.50 64.11 ? 10 VAL u O 1 ? ? +46370 ATOM O O B VAL AI 25 3 ? -2.241 23.095 -43.357 0.50 63.78 ? 10 VAL u O 1 ? ? +46371 ATOM C CB A VAL AI 25 3 ? -0.235 24.004 -45.875 0.50 66.88 ? 10 VAL u CB 1 ? ? +46372 ATOM C CB B VAL AI 25 3 ? -0.338 24.075 -45.799 0.50 66.46 ? 10 VAL u CB 1 ? ? +46373 ATOM C CG1 A VAL AI 25 3 ? 1.145 24.624 -46.044 0.50 67.11 ? 10 VAL u CG1 1 ? ? +46374 ATOM C CG1 B VAL AI 25 3 ? 0.370 23.646 -47.079 0.50 66.37 ? 10 VAL u CG1 1 ? ? +46375 ATOM C CG2 A VAL AI 25 3 ? -0.713 23.396 -47.182 0.50 67.02 ? 10 VAL u CG2 1 ? ? +46376 ATOM C CG2 B VAL AI 25 3 ? -1.783 24.486 -46.080 0.50 66.90 ? 10 VAL u CG2 1 ? ? +46377 ATOM N N . ASN AI 25 4 ? -0.339 24.021 -42.547 1.00 62.31 ? 11 ASN u N 1 ? ? +46378 ATOM C CA . ASN AI 25 4 ? -0.963 24.722 -41.442 1.00 60.40 ? 11 ASN u CA 1 ? ? +46379 ATOM C CB . ASN AI 25 4 ? -0.025 24.855 -40.262 1.00 59.05 ? 11 ASN u CB 1 ? ? +46380 ATOM C CG . ASN AI 25 4 ? -0.569 25.712 -39.157 1.00 58.53 ? 11 ASN u CG 1 ? ? +46381 ATOM O OD1 . ASN AI 25 4 ? -1.114 26.779 -39.393 1.00 59.02 ? 11 ASN u OD1 1 ? ? +46382 ATOM N ND2 . ASN AI 25 4 ? -0.431 25.297 -37.930 1.00 57.71 ? 11 ASN u ND2 1 ? ? +46383 ATOM C C . ASN AI 25 4 ? -1.400 26.075 -41.994 1.00 59.85 ? 11 ASN u C 1 ? ? +46384 ATOM O O . ASN AI 25 4 ? -0.560 26.865 -42.407 1.00 59.96 ? 11 ASN u O 1 ? ? +46385 ATOM N N . VAL AI 25 5 ? -2.718 26.316 -41.998 1.00 59.00 ? 12 VAL u N 1 ? ? +46386 ATOM C CA . VAL AI 25 5 ? -3.300 27.464 -42.664 1.00 58.90 ? 12 VAL u CA 1 ? ? +46387 ATOM C CB . VAL AI 25 5 ? -4.812 27.231 -42.962 1.00 59.04 ? 12 VAL u CB 1 ? ? +46388 ATOM C CG1 . VAL AI 25 5 ? -5.002 26.058 -43.904 1.00 58.63 ? 12 VAL u CG1 1 ? ? +46389 ATOM C CG2 . VAL AI 25 5 ? -5.630 27.051 -41.681 1.00 58.82 ? 12 VAL u CG2 1 ? ? +46390 ATOM C C . VAL AI 25 5 ? -3.092 28.754 -41.879 1.00 58.83 ? 12 VAL u C 1 ? ? +46391 ATOM O O . VAL AI 25 5 ? -3.180 29.833 -42.453 1.00 59.42 ? 12 VAL u O 1 ? ? +46392 ATOM N N . VAL AI 25 6 ? -2.839 28.648 -40.570 1.00 58.19 ? 13 VAL u N 1 ? ? +46393 ATOM C CA . VAL AI 25 6 ? -2.590 29.823 -39.749 1.00 58.30 ? 13 VAL u CA 1 ? ? +46394 ATOM C CB . VAL AI 25 6 ? -2.780 29.538 -38.249 1.00 57.90 ? 13 VAL u CB 1 ? ? +46395 ATOM C CG1 . VAL AI 25 6 ? -2.413 30.755 -37.401 1.00 58.20 ? 13 VAL u CG1 1 ? ? +46396 ATOM C CG2 . VAL AI 25 6 ? -4.208 29.087 -37.960 1.00 58.01 ? 13 VAL u CG2 1 ? ? +46397 ATOM C C . VAL AI 25 6 ? -1.195 30.375 -40.031 1.00 58.38 ? 13 VAL u C 1 ? ? +46398 ATOM O O . VAL AI 25 6 ? -1.027 31.585 -40.157 1.00 59.06 ? 13 VAL u O 1 ? ? +46399 ATOM N N . ASP AI 25 7 ? -0.204 29.479 -40.135 1.00 57.73 ? 14 ASP u N 1 ? ? +46400 ATOM C CA . ASP AI 25 7 ? 1.142 29.861 -40.536 1.00 57.68 ? 14 ASP u CA 1 ? ? +46401 ATOM C CB . ASP AI 25 7 ? 2.078 28.663 -40.529 1.00 56.62 ? 14 ASP u CB 1 ? ? +46402 ATOM C CG . ASP AI 25 7 ? 2.335 28.147 -39.163 1.00 55.90 ? 14 ASP u CG 1 ? ? +46403 ATOM O OD1 . ASP AI 25 7 ? 2.401 28.957 -38.238 1.00 56.08 ? 14 ASP u OD1 1 ? ? +46404 ATOM O OD2 . ASP AI 25 7 ? 2.466 26.931 -39.011 1.00 55.27 ? 14 ASP u OD2 1 ? ? +46405 ATOM C C . ASP AI 25 7 ? 1.159 30.484 -41.925 1.00 58.63 ? 14 ASP u C 1 ? ? +46406 ATOM O O . ASP AI 25 7 ? 1.850 31.472 -42.159 1.00 59.02 ? 14 ASP u O 1 ? ? +46407 ATOM N N . GLU AI 25 8 ? 0.396 29.878 -42.838 1.00 59.21 ? 15 GLU u N 1 ? ? +46408 ATOM C CA . GLU AI 25 8 ? 0.261 30.380 -44.196 1.00 60.33 ? 15 GLU u CA 1 ? ? +46409 ATOM C CB . GLU AI 25 8 ? -0.618 29.440 -45.013 1.00 61.14 ? 15 GLU u CB 1 ? ? +46410 ATOM C CG . GLU AI 25 8 ? -0.458 29.615 -46.507 1.00 62.69 ? 15 GLU u CG 1 ? ? +46411 ATOM C CD . GLU AI 25 8 ? -1.248 28.596 -47.314 1.00 63.97 ? 15 GLU u CD 1 ? ? +46412 ATOM O OE1 . GLU AI 25 8 ? -2.463 28.816 -47.554 1.00 65.23 ? 15 GLU u OE1 1 ? ? +46413 ATOM O OE2 . GLU AI 25 8 ? -0.652 27.547 -47.659 1.00 64.78 ? 15 GLU u OE2 1 ? ? +46414 ATOM C C . GLU AI 25 8 ? -0.319 31.791 -44.213 1.00 60.71 ? 15 GLU u C 1 ? ? +46415 ATOM O O . GLU AI 25 8 ? 0.127 32.633 -44.984 1.00 61.76 ? 15 GLU u O 1 ? ? +46416 ATOM N N . LYS AI 25 9 ? -1.294 32.044 -43.336 1.00 60.27 ? 16 LYS u N 1 ? ? +46417 ATOM C CA . LYS AI 25 9 ? -1.955 33.336 -43.245 1.00 60.58 ? 16 LYS u CA 1 ? ? +46418 ATOM C CB . LYS AI 25 9 ? -3.129 33.256 -42.253 1.00 60.55 ? 16 LYS u CB 1 ? ? +46419 ATOM C CG . LYS AI 25 9 ? -4.219 34.264 -42.490 1.00 61.23 ? 16 LYS u CG 1 ? ? +46420 ATOM C CD . LYS AI 25 9 ? -4.992 33.955 -43.728 1.00 61.52 ? 16 LYS u CD 1 ? ? +46421 ATOM C CE . LYS AI 25 9 ? -6.354 34.558 -43.691 1.00 62.15 ? 16 LYS u CE 1 ? ? +46422 ATOM N NZ . LYS AI 25 9 ? -6.997 34.462 -45.016 1.00 62.62 ? 16 LYS u NZ 1 ? ? +46423 ATOM C C . LYS AI 25 9 ? -0.997 34.429 -42.788 1.00 60.50 ? 16 LYS u C 1 ? ? +46424 ATOM O O . LYS AI 25 9 ? -1.135 35.583 -43.186 1.00 60.88 ? 16 LYS u O 1 ? ? +46425 ATOM N N . LEU AI 25 10 ? -0.027 34.045 -41.946 1.00 59.91 ? 17 LEU u N 1 ? ? +46426 ATOM C CA . LEU AI 25 10 ? 1.010 34.961 -41.486 1.00 59.96 ? 17 LEU u CA 1 ? ? +46427 ATOM C CB . LEU AI 25 10 ? 1.887 34.289 -40.416 1.00 59.46 ? 17 LEU u CB 1 ? ? +46428 ATOM C CG . LEU AI 25 10 ? 1.279 34.089 -39.013 1.00 59.18 ? 17 LEU u CG 1 ? ? +46429 ATOM C CD1 . LEU AI 25 10 ? 2.295 33.446 -38.096 1.00 58.64 ? 17 LEU u CD1 1 ? ? +46430 ATOM C CD2 . LEU AI 25 10 ? 0.815 35.382 -38.413 1.00 59.81 ? 17 LEU u CD2 1 ? ? +46431 ATOM C C . LEU AI 25 10 ? 1.904 35.474 -42.614 1.00 59.94 ? 17 LEU u C 1 ? ? +46432 ATOM O O . LEU AI 25 10 ? 2.552 36.497 -42.447 1.00 60.45 ? 17 LEU u O 1 ? ? +46433 ATOM N N . GLY AI 25 11 ? 1.924 34.773 -43.755 1.00 59.50 ? 18 GLY u N 1 ? ? +46434 ATOM C CA . GLY AI 25 11 ? 2.586 35.258 -44.955 1.00 59.77 ? 18 GLY u CA 1 ? ? +46435 ATOM C C . GLY AI 25 11 ? 1.771 36.194 -45.845 1.00 60.46 ? 18 GLY u C 1 ? ? +46436 ATOM O O . GLY AI 25 11 ? 2.243 36.602 -46.894 1.00 60.78 ? 18 GLY u O 1 ? ? +46437 ATOM N N . THR AI 25 12 ? 0.534 36.510 -45.445 1.00 60.81 ? 19 THR u N 1 ? ? +46438 ATOM C CA . THR AI 25 12 ? -0.310 37.449 -46.174 1.00 61.52 ? 19 THR u CA 1 ? ? +46439 ATOM C CB . THR AI 25 12 ? -1.716 36.872 -46.394 1.00 61.35 ? 19 THR u CB 1 ? ? +46440 ATOM O OG1 . THR AI 25 12 ? -2.428 36.902 -45.161 1.00 61.24 ? 19 THR u OG1 1 ? ? +46441 ATOM C CG2 . THR AI 25 12 ? -1.685 35.466 -46.944 1.00 60.65 ? 19 THR u CG2 1 ? ? +46442 ATOM C C . THR AI 25 12 ? -0.337 38.765 -45.402 1.00 62.12 ? 19 THR u C 1 ? ? +46443 ATOM O O . THR AI 25 12 ? 0.395 38.927 -44.429 1.00 62.12 ? 19 THR u O 1 ? ? +46444 ATOM N N . ALA AI 25 13 ? -1.188 39.699 -45.839 1.00 62.86 ? 20 ALA u N 1 ? ? +46445 ATOM C CA . ALA AI 25 13 ? -1.306 40.988 -45.179 1.00 63.42 ? 20 ALA u CA 1 ? ? +46446 ATOM C CB . ALA AI 25 13 ? -2.225 41.902 -45.963 1.00 64.26 ? 20 ALA u CB 1 ? ? +46447 ATOM C C . ALA AI 25 13 ? -1.799 40.851 -43.741 1.00 63.16 ? 20 ALA u C 1 ? ? +46448 ATOM O O . ALA AI 25 13 ? -1.610 41.765 -42.944 1.00 63.62 ? 20 ALA u O 1 ? ? +46449 ATOM N N . TYR AI 25 14 ? -2.442 39.720 -43.417 1.00 62.55 ? 21 TYR u N 1 ? ? +46450 ATOM C CA . TYR AI 25 14 ? -2.814 39.394 -42.048 1.00 62.11 ? 21 TYR u CA 1 ? ? +46451 ATOM C CB . TYR AI 25 14 ? -3.396 37.989 -41.985 1.00 61.26 ? 21 TYR u CB 1 ? ? +46452 ATOM C CG . TYR AI 25 14 ? -3.703 37.487 -40.594 1.00 60.58 ? 21 TYR u CG 1 ? ? +46453 ATOM C CD1 . TYR AI 25 14 ? -4.917 37.760 -39.990 1.00 60.81 ? 21 TYR u CD1 1 ? ? +46454 ATOM C CD2 . TYR AI 25 14 ? -2.783 36.733 -39.888 1.00 59.86 ? 21 TYR u CD2 1 ? ? +46455 ATOM C CE1 . TYR AI 25 14 ? -5.221 37.282 -38.723 1.00 60.30 ? 21 TYR u CE1 1 ? ? +46456 ATOM C CE2 . TYR AI 25 14 ? -3.067 36.260 -38.612 1.00 59.42 ? 21 TYR u CE2 1 ? ? +46457 ATOM C CZ . TYR AI 25 14 ? -4.294 36.537 -38.035 1.00 59.58 ? 21 TYR u CZ 1 ? ? +46458 ATOM O OH . TYR AI 25 14 ? -4.621 36.090 -36.786 1.00 59.19 ? 21 TYR u OH 1 ? ? +46459 ATOM C C . TYR AI 25 14 ? -1.632 39.464 -41.085 1.00 62.10 ? 21 TYR u C 1 ? ? +46460 ATOM O O . TYR AI 25 14 ? -1.809 39.774 -39.913 1.00 62.15 ? 21 TYR u O 1 ? ? +46461 ATOM N N . GLY AI 25 15 ? -0.435 39.144 -41.589 1.00 62.26 ? 22 GLY u N 1 ? ? +46462 ATOM C CA . GLY AI 25 15 ? 0.787 39.203 -40.801 1.00 62.23 ? 22 GLY u CA 1 ? ? +46463 ATOM C C . GLY AI 25 15 ? 1.380 40.599 -40.600 1.00 63.13 ? 22 GLY u C 1 ? ? +46464 ATOM O O . GLY AI 25 15 ? 2.364 40.747 -39.888 1.00 62.84 ? 22 GLY u O 1 ? ? +46465 ATOM N N . GLU AI 25 16 ? 0.782 41.622 -41.221 1.00 64.30 ? 23 GLU u N 1 ? ? +46466 ATOM C CA . GLU AI 25 16 ? 1.303 42.980 -41.154 1.00 65.40 ? 23 GLU u CA 1 ? ? +46467 ATOM C CB . GLU AI 25 16 ? 1.800 43.449 -42.541 1.00 66.73 ? 23 GLU u CB 1 ? ? +46468 ATOM C CG . GLU AI 25 16 ? 2.507 42.414 -43.415 1.00 67.04 ? 23 GLU u CG 1 ? ? +46469 ATOM C CD . GLU AI 25 16 ? 2.726 42.832 -44.865 1.00 68.27 ? 23 GLU u CD 1 ? ? +46470 ATOM O OE1 . GLU AI 25 16 ? 2.517 44.023 -45.199 1.00 69.30 ? 23 GLU u OE1 1 ? ? +46471 ATOM O OE2 . GLU AI 25 16 ? 3.087 41.949 -45.678 1.00 68.69 ? 23 GLU u OE2 1 ? ? +46472 ATOM C C . GLU AI 25 16 ? 0.294 44.024 -40.669 1.00 65.59 ? 23 GLU u C 1 ? ? +46473 ATOM O O . GLU AI 25 16 ? 0.699 45.048 -40.128 1.00 66.11 ? 23 GLU u O 1 ? ? +46474 ATOM N N . LYS AI 25 17 ? -1.006 43.788 -40.897 1.00 65.21 ? 24 LYS u N 1 ? ? +46475 ATOM C CA . LYS AI 25 17 ? -2.043 44.761 -40.587 1.00 65.42 ? 24 LYS u CA 1 ? ? +46476 ATOM C CB . LYS AI 25 17 ? -2.536 45.430 -41.868 1.00 66.49 ? 24 LYS u CB 1 ? ? +46477 ATOM C CG . LYS AI 25 17 ? -1.472 46.202 -42.621 1.00 67.33 ? 24 LYS u CG 1 ? ? +46478 ATOM C CD . LYS AI 25 17 ? -2.036 46.889 -43.810 1.00 68.39 ? 24 LYS u CD 1 ? ? +46479 ATOM C CE . LYS AI 25 17 ? -0.965 47.578 -44.586 1.00 69.23 ? 24 LYS u CE 1 ? ? +46480 ATOM N NZ . LYS AI 25 17 ? -1.532 48.205 -45.807 1.00 70.33 ? 24 LYS u NZ 1 ? ? +46481 ATOM C C . LYS AI 25 17 ? -3.222 44.096 -39.890 1.00 64.35 ? 24 LYS u C 1 ? ? +46482 ATOM O O . LYS AI 25 17 ? -3.260 42.878 -39.777 1.00 63.65 ? 24 LYS u O 1 ? ? +46483 ATOM N N . ILE AI 25 18 ? -4.180 44.906 -39.433 1.00 64.31 ? 25 ILE u N 1 ? ? +46484 ATOM C CA . ILE AI 25 18 ? -5.431 44.396 -38.898 1.00 63.67 ? 25 ILE u CA 1 ? ? +46485 ATOM C CB . ILE AI 25 18 ? -6.181 45.448 -38.060 1.00 64.20 ? 25 ILE u CB 1 ? ? +46486 ATOM C CG1 . ILE AI 25 18 ? -5.346 45.928 -36.874 1.00 64.05 ? 25 ILE u CG1 1 ? ? +46487 ATOM C CG2 . ILE AI 25 18 ? -7.532 44.903 -37.601 1.00 64.09 ? 25 ILE u CG2 1 ? ? +46488 ATOM C CD1 . ILE AI 25 18 ? -6.047 46.885 -36.003 1.00 64.60 ? 25 ILE u CD1 1 ? ? +46489 ATOM C C . ILE AI 25 18 ? -6.310 43.917 -40.049 1.00 63.45 ? 25 ILE u C 1 ? ? +46490 ATOM O O . ILE AI 25 18 ? -6.786 44.725 -40.835 1.00 64.19 ? 25 ILE u O 1 ? ? +46491 ATOM N N . ASP AI 25 19 ? -6.514 42.600 -40.135 1.00 62.47 ? 26 ASP u N 1 ? ? +46492 ATOM C CA . ASP AI 25 19 ? -7.395 42.010 -41.128 1.00 62.37 ? 26 ASP u CA 1 ? ? +46493 ATOM C CB . ASP AI 25 19 ? -6.969 40.559 -41.402 1.00 61.47 ? 26 ASP u CB 1 ? ? +46494 ATOM C CG . ASP AI 25 19 ? -7.746 39.811 -42.464 1.00 61.48 ? 26 ASP u CG 1 ? ? +46495 ATOM O OD1 . ASP AI 25 19 ? -8.773 40.344 -42.941 1.00 62.15 ? 26 ASP u OD1 1 ? ? +46496 ATOM O OD2 . ASP AI 25 19 ? -7.329 38.687 -42.820 1.00 60.82 ? 26 ASP u OD2 1 ? ? +46497 ATOM C C . ASP AI 25 19 ? -8.839 42.095 -40.631 1.00 62.49 ? 26 ASP u C 1 ? ? +46498 ATOM O O . ASP AI 25 19 ? -9.197 41.481 -39.628 1.00 61.99 ? 26 ASP u O 1 ? ? +46499 ATOM N N . LEU AI 25 20 ? -9.667 42.861 -41.348 1.00 63.14 ? 27 LEU u N 1 ? ? +46500 ATOM C CA . LEU AI 25 20 ? -11.035 43.106 -40.925 1.00 63.43 ? 27 LEU u CA 1 ? ? +46501 ATOM C CB . LEU AI 25 20 ? -11.706 44.113 -41.856 1.00 64.41 ? 27 LEU u CB 1 ? ? +46502 ATOM C CG . LEU AI 25 20 ? -11.021 45.460 -41.998 1.00 65.07 ? 27 LEU u CG 1 ? ? +46503 ATOM C CD1 . LEU AI 25 20 ? -11.732 46.310 -43.004 1.00 66.00 ? 27 LEU u CD1 1 ? ? +46504 ATOM C CD2 . LEU AI 25 20 ? -10.947 46.170 -40.684 1.00 65.19 ? 27 LEU u CD2 1 ? ? +46505 ATOM C C . LEU AI 25 20 ? -11.860 41.824 -40.908 1.00 62.83 ? 27 LEU u C 1 ? ? +46506 ATOM O O . LEU AI 25 20 ? -12.854 41.750 -40.199 1.00 62.82 ? 27 LEU u O 1 ? ? +46507 ATOM N N . ASN AI 25 21 ? -11.419 40.821 -41.676 1.00 62.35 ? 28 ASN u N 1 ? ? +46508 ATOM C CA . ASN AI 25 21 ? -12.135 39.564 -41.820 1.00 61.91 ? 28 ASN u CA 1 ? ? +46509 ATOM C CB . ASN AI 25 21 ? -11.994 39.074 -43.256 1.00 61.95 ? 28 ASN u CB 1 ? ? +46510 ATOM C CG . ASN AI 25 21 ? -12.738 39.889 -44.269 1.00 62.84 ? 28 ASN u CG 1 ? ? +46511 ATOM O OD1 . ASN AI 25 21 ? -13.607 40.698 -43.951 1.00 63.51 ? 28 ASN u OD1 1 ? ? +46512 ATOM N ND2 . ASN AI 25 21 ? -12.416 39.681 -45.534 1.00 62.99 ? 28 ASN u ND2 1 ? ? +46513 ATOM C C . ASN AI 25 21 ? -11.690 38.420 -40.911 1.00 61.04 ? 28 ASN u C 1 ? ? +46514 ATOM O O . ASN AI 25 21 ? -12.320 37.363 -40.917 1.00 60.67 ? 28 ASN u O 1 ? ? +46515 ATOM N N . ASN AI 25 22 ? -10.587 38.610 -40.170 1.00 60.72 ? 29 ASN u N 1 ? ? +46516 ATOM C CA . ASN AI 25 22 ? -9.974 37.515 -39.437 1.00 59.79 ? 29 ASN u CA 1 ? ? +46517 ATOM C CB . ASN AI 25 22 ? -8.875 36.936 -40.300 1.00 59.48 ? 29 ASN u CB 1 ? ? +46518 ATOM C CG . ASN AI 25 22 ? -9.388 36.045 -41.383 1.00 59.44 ? 29 ASN u CG 1 ? ? +46519 ATOM O OD1 . ASN AI 25 22 ? -9.106 36.191 -42.594 1.00 59.79 ? 29 ASN u OD1 1 ? ? +46520 ATOM N ND2 . ASN AI 25 22 ? -10.135 35.068 -40.941 1.00 59.08 ? 29 ASN u ND2 1 ? ? +46521 ATOM C C . ASN AI 25 22 ? -9.407 37.847 -38.059 1.00 59.52 ? 29 ASN u C 1 ? ? +46522 ATOM O O . ASN AI 25 22 ? -9.481 37.027 -37.144 1.00 58.91 ? 29 ASN u O 1 ? ? +46523 ATOM N N . THR AI 25 23 ? -8.825 39.042 -37.918 1.00 59.98 ? 30 THR u N 1 ? ? +46524 ATOM C CA . THR AI 25 23 ? -8.041 39.367 -36.741 1.00 59.75 ? 30 THR u CA 1 ? ? +46525 ATOM C CB . THR AI 25 23 ? -7.262 40.662 -36.964 1.00 60.28 ? 30 THR u CB 1 ? ? +46526 ATOM O OG1 . THR AI 25 23 ? -6.422 40.469 -38.090 1.00 60.28 ? 30 THR u OG1 1 ? ? +46527 ATOM C CG2 . THR AI 25 23 ? -6.419 41.059 -35.769 1.00 60.09 ? 30 THR u CG2 1 ? ? +46528 ATOM C C . THR AI 25 23 ? -8.928 39.439 -35.506 1.00 59.77 ? 30 THR u C 1 ? ? +46529 ATOM O O . THR AI 25 23 ? -10.044 39.935 -35.569 1.00 60.29 ? 30 THR u O 1 ? ? +46530 ATOM N N . ASN AI 25 24 ? -8.395 38.946 -34.391 1.00 59.26 ? 31 ASN u N 1 ? ? +46531 ATOM C CA . ASN AI 25 24 ? -9.029 39.065 -33.097 1.00 59.38 ? 31 ASN u CA 1 ? ? +46532 ATOM C CB . ASN AI 25 24 ? -8.215 38.299 -32.086 1.00 58.66 ? 31 ASN u CB 1 ? ? +46533 ATOM C CG . ASN AI 25 24 ? -8.701 38.476 -30.696 1.00 58.68 ? 31 ASN u CG 1 ? ? +46534 ATOM O OD1 . ASN AI 25 24 ? -8.372 39.446 -30.027 1.00 59.11 ? 31 ASN u OD1 1 ? ? +46535 ATOM N ND2 . ASN AI 25 24 ? -9.487 37.548 -30.224 1.00 58.33 ? 31 ASN u ND2 1 ? ? +46536 ATOM C C . ASN AI 25 24 ? -9.200 40.528 -32.686 1.00 60.31 ? 31 ASN u C 1 ? ? +46537 ATOM O O . ASN AI 25 24 ? -8.343 41.361 -32.976 1.00 60.69 ? 31 ASN u O 1 ? ? +46538 ATOM N N . ILE AI 25 25 ? -10.313 40.806 -31.989 1.00 60.69 ? 32 ILE u N 1 ? ? +46539 ATOM C CA . ILE AI 25 25 ? -10.756 42.154 -31.673 1.00 61.51 ? 32 ILE u CA 1 ? ? +46540 ATOM C CB . ILE AI 25 25 ? -12.124 42.053 -30.962 1.00 61.64 ? 32 ILE u CB 1 ? ? +46541 ATOM C CG1 . ILE AI 25 25 ? -12.876 43.383 -31.004 1.00 62.53 ? 32 ILE u CG1 1 ? ? +46542 ATOM C CG2 . ILE AI 25 25 ? -11.954 41.541 -29.537 1.00 61.11 ? 32 ILE u CG2 1 ? ? +46543 ATOM C CD1 . ILE AI 25 25 ? -14.313 43.265 -30.635 1.00 62.79 ? 32 ILE u CD1 1 ? ? +46544 ATOM C C . ILE AI 25 25 ? -9.792 42.977 -30.821 1.00 61.71 ? 32 ILE u C 1 ? ? +46545 ATOM O O . ILE AI 25 25 ? -9.831 44.203 -30.852 1.00 62.38 ? 32 ILE u O 1 ? ? +46546 ATOM N N . ALA AI 25 26 ? -8.952 42.296 -30.035 1.00 61.24 ? 33 ALA u N 1 ? ? +46547 ATOM C CA . ALA AI 25 26 ? -7.973 42.968 -29.194 1.00 61.45 ? 33 ALA u CA 1 ? ? +46548 ATOM C CB . ALA AI 25 26 ? -7.286 41.969 -28.290 1.00 60.66 ? 33 ALA u CB 1 ? ? +46549 ATOM C C . ALA AI 25 26 ? -6.928 43.739 -30.000 1.00 61.92 ? 33 ALA u C 1 ? ? +46550 ATOM O O . ALA AI 25 26 ? -6.305 44.658 -29.481 1.00 62.39 ? 33 ALA u O 1 ? ? +46551 ATOM N N . ALA AI 25 27 ? -6.763 43.385 -31.277 1.00 62.02 ? 34 ALA u N 1 ? ? +46552 ATOM C CA . ALA AI 25 27 ? -5.833 44.073 -32.153 1.00 62.50 ? 34 ALA u CA 1 ? ? +46553 ATOM C CB . ALA AI 25 27 ? -5.778 43.363 -33.495 1.00 62.26 ? 34 ALA u CB 1 ? ? +46554 ATOM C C . ALA AI 25 27 ? -6.175 45.546 -32.361 1.00 63.71 ? 34 ALA u C 1 ? ? +46555 ATOM O O . ALA AI 25 27 ? -5.290 46.342 -32.649 1.00 64.15 ? 34 ALA u O 1 ? ? +46556 ATOM N N . PHE AI 25 28 ? -7.458 45.908 -32.218 1.00 64.37 ? 35 PHE u N 1 ? ? +46557 ATOM C CA . PHE AI 25 28 ? -7.917 47.265 -32.475 1.00 65.42 ? 35 PHE u CA 1 ? ? +46558 ATOM C CB . PHE AI 25 28 ? -9.445 47.265 -32.675 1.00 65.77 ? 35 PHE u CB 1 ? ? +46559 ATOM C CG . PHE AI 25 28 ? -9.906 46.605 -33.956 1.00 65.66 ? 35 PHE u CG 1 ? ? +46560 ATOM C CD1 . PHE AI 25 28 ? -9.956 47.316 -35.142 1.00 66.28 ? 35 PHE u CD1 1 ? ? +46561 ATOM C CD2 . PHE AI 25 28 ? -10.263 45.270 -33.978 1.00 64.96 ? 35 PHE u CD2 1 ? ? +46562 ATOM C CE1 . PHE AI 25 28 ? -10.378 46.706 -36.315 1.00 66.24 ? 35 PHE u CE1 1 ? ? +46563 ATOM C CE2 . PHE AI 25 28 ? -10.674 44.665 -35.155 1.00 64.91 ? 35 PHE u CE2 1 ? ? +46564 ATOM C CZ . PHE AI 25 28 ? -10.736 45.386 -36.313 1.00 65.54 ? 35 PHE u CZ 1 ? ? +46565 ATOM C C . PHE AI 25 28 ? -7.543 48.267 -31.383 1.00 66.00 ? 35 PHE u C 1 ? ? +46566 ATOM O O . PHE AI 25 28 ? -7.802 49.460 -31.519 1.00 66.98 ? 35 PHE u O 1 ? ? +46567 ATOM N N . ILE AI 25 29 ? -6.932 47.790 -30.296 1.00 65.63 ? 36 ILE u N 1 ? ? +46568 ATOM C CA . ILE AI 25 29 ? -6.409 48.675 -29.267 1.00 66.07 ? 36 ILE u CA 1 ? ? +46569 ATOM C CB . ILE AI 25 29 ? -6.213 47.869 -27.975 1.00 65.47 ? 36 ILE u CB 1 ? ? +46570 ATOM C CG1 . ILE AI 25 29 ? -7.577 47.432 -27.437 1.00 65.40 ? 36 ILE u CG1 1 ? ? +46571 ATOM C CG2 . ILE AI 25 29 ? -5.440 48.644 -26.914 1.00 65.71 ? 36 ILE u CG2 1 ? ? +46572 ATOM C CD1 . ILE AI 25 29 ? -7.515 46.399 -26.345 1.00 64.72 ? 36 ILE u CD1 1 ? ? +46573 ATOM C C . ILE AI 25 29 ? -5.136 49.391 -29.719 1.00 66.43 ? 36 ILE u C 1 ? ? +46574 ATOM O O . ILE AI 25 29 ? -4.737 50.380 -29.113 1.00 66.91 ? 36 ILE u O 1 ? ? +46575 ATOM N N . GLN AI 25 30 ? -4.527 48.908 -30.806 1.00 66.41 ? 37 GLN u N 1 ? ? +46576 ATOM C CA . GLN AI 25 30 ? -3.292 49.468 -31.332 1.00 66.92 ? 37 GLN u CA 1 ? ? +46577 ATOM C CB . GLN AI 25 30 ? -2.774 48.590 -32.466 1.00 67.00 ? 37 GLN u CB 1 ? ? +46578 ATOM C CG . GLN AI 25 30 ? -2.249 47.256 -32.002 1.00 66.64 ? 37 GLN u CG 1 ? ? +46579 ATOM C CD . GLN AI 25 30 ? -1.799 46.413 -33.175 1.00 66.89 ? 37 GLN u CD 1 ? ? +46580 ATOM O OE1 . GLN AI 25 30 ? -0.792 46.699 -33.839 1.00 67.64 ? 37 GLN u OE1 1 ? ? +46581 ATOM N NE2 . GLN AI 25 30 ? -2.533 45.344 -33.453 1.00 66.68 ? 37 GLN u NE2 1 ? ? +46582 ATOM C C . GLN AI 25 30 ? -3.403 50.893 -31.866 1.00 67.70 ? 37 GLN u C 1 ? ? +46583 ATOM O O . GLN AI 25 30 ? -2.387 51.563 -32.021 1.00 68.03 ? 37 GLN u O 1 ? ? +46584 ATOM N N . TYR AI 25 31 ? -4.627 51.338 -32.178 1.00 68.00 ? 38 TYR u N 1 ? ? +46585 ATOM C CA . TYR AI 25 31 ? -4.841 52.666 -32.729 1.00 68.69 ? 38 TYR u CA 1 ? ? +46586 ATOM C CB . TYR AI 25 31 ? -5.183 52.554 -34.216 1.00 68.87 ? 38 TYR u CB 1 ? ? +46587 ATOM C CG . TYR AI 25 31 ? -4.117 51.830 -35.006 1.00 68.20 ? 38 TYR u CG 1 ? ? +46588 ATOM C CD1 . TYR AI 25 31 ? -2.888 52.420 -35.254 1.00 68.38 ? 38 TYR u CD1 1 ? ? +46589 ATOM C CD2 . TYR AI 25 31 ? -4.327 50.541 -35.477 1.00 67.44 ? 38 TYR u CD2 1 ? ? +46590 ATOM C CE1 . TYR AI 25 31 ? -1.902 51.759 -35.972 1.00 67.95 ? 38 TYR u CE1 1 ? ? +46591 ATOM C CE2 . TYR AI 25 31 ? -3.346 49.868 -36.191 1.00 66.98 ? 38 TYR u CE2 1 ? ? +46592 ATOM C CZ . TYR AI 25 31 ? -2.133 50.482 -36.435 1.00 67.25 ? 38 TYR u CZ 1 ? ? +46593 ATOM O OH . TYR AI 25 31 ? -1.152 49.827 -37.133 1.00 67.02 ? 38 TYR u OH 1 ? ? +46594 ATOM C C . TYR AI 25 31 ? -5.924 53.411 -31.953 1.00 69.05 ? 38 TYR u C 1 ? ? +46595 ATOM O O . TYR AI 25 31 ? -6.772 52.792 -31.316 1.00 68.73 ? 38 TYR u O 1 ? ? +46596 ATOM N N . ARG AI 25 32 ? -5.854 54.747 -32.000 1.00 69.70 ? 39 ARG u N 1 ? ? +46597 ATOM C CA . ARG AI 25 32 ? -6.725 55.606 -31.222 1.00 70.26 ? 39 ARG u CA 1 ? ? +46598 ATOM C CB . ARG AI 25 32 ? -6.231 57.059 -31.298 1.00 71.43 ? 39 ARG u CB 1 ? ? +46599 ATOM C CG . ARG AI 25 32 ? -6.886 57.997 -30.279 1.00 72.34 ? 39 ARG u CG 1 ? ? +46600 ATOM C CD . ARG AI 25 32 ? -6.489 59.459 -30.461 1.00 73.57 ? 39 ARG u CD 1 ? ? +46601 ATOM N NE . ARG AI 25 32 ? -5.041 59.633 -30.524 1.00 73.83 ? 39 ARG u NE 1 ? ? +46602 ATOM C CZ . ARG AI 25 32 ? -4.210 59.466 -29.499 1.00 73.62 ? 39 ARG u CZ 1 ? ? +46603 ATOM N NH1 . ARG AI 25 32 ? -4.634 59.550 -28.248 1.00 73.52 ? 39 ARG u NH1 1 ? ? +46604 ATOM N NH2 . ARG AI 25 32 ? -2.923 59.215 -29.738 1.00 73.45 ? 39 ARG u NH2 1 ? ? +46605 ATOM C C . ARG AI 25 32 ? -8.164 55.526 -31.724 1.00 70.27 ? 39 ARG u C 1 ? ? +46606 ATOM O O . ARG AI 25 32 ? -8.411 55.584 -32.925 1.00 70.47 ? 39 ARG u O 1 ? ? +46607 ATOM N N . GLY AI 25 33 ? -9.104 55.368 -30.785 1.00 69.93 ? 40 GLY u N 1 ? ? +46608 ATOM C CA . GLY AI 25 33 ? -10.516 55.553 -31.066 1.00 70.20 ? 40 GLY u CA 1 ? ? +46609 ATOM C C . GLY AI 25 33 ? -11.262 54.377 -31.687 1.00 69.49 ? 40 GLY u C 1 ? ? +46610 ATOM O O . GLY AI 25 33 ? -12.435 54.521 -32.021 1.00 69.97 ? 40 GLY u O 1 ? ? +46611 ATOM N N . LEU AI 25 34 ? -10.599 53.223 -31.818 1.00 68.36 ? 41 LEU u N 1 ? ? +46612 ATOM C CA . LEU AI 25 34 ? -11.202 52.058 -32.443 1.00 67.78 ? 41 LEU u CA 1 ? ? +46613 ATOM C CB . LEU AI 25 34 ? -10.136 51.310 -33.244 1.00 67.24 ? 41 LEU u CB 1 ? ? +46614 ATOM C CG . LEU AI 25 34 ? -9.560 52.019 -34.454 1.00 67.83 ? 41 LEU u CG 1 ? ? +46615 ATOM C CD1 . LEU AI 25 34 ? -8.503 51.170 -35.137 1.00 67.20 ? 41 LEU u CD1 1 ? ? +46616 ATOM C CD2 . LEU AI 25 34 ? -10.628 52.339 -35.458 1.00 68.53 ? 41 LEU u CD2 1 ? ? +46617 ATOM C C . LEU AI 25 34 ? -11.842 51.066 -31.472 1.00 67.03 ? 41 LEU u C 1 ? ? +46618 ATOM O O . LEU AI 25 34 ? -12.736 50.324 -31.862 1.00 66.93 ? 41 LEU u O 1 ? ? +46619 ATOM N N . TYR AI 25 35 ? -11.380 51.041 -30.219 1.00 66.53 ? 42 TYR u N 1 ? ? +46620 ATOM C CA . TYR AI 25 35 ? -11.802 50.030 -29.262 1.00 65.74 ? 42 TYR u CA 1 ? ? +46621 ATOM C CB . TYR AI 25 35 ? -10.586 49.185 -28.861 1.00 64.72 ? 42 TYR u CB 1 ? ? +46622 ATOM C CG . TYR AI 25 35 ? -10.843 48.060 -27.883 1.00 63.84 ? 42 TYR u CG 1 ? ? +46623 ATOM C CD1 . TYR AI 25 35 ? -10.966 48.305 -26.523 1.00 63.76 ? 42 TYR u CD1 1 ? ? +46624 ATOM C CD2 . TYR AI 25 35 ? -10.937 46.745 -28.316 1.00 63.07 ? 42 TYR u CD2 1 ? ? +46625 ATOM C CE1 . TYR AI 25 35 ? -11.173 47.271 -25.619 1.00 63.04 ? 42 TYR u CE1 1 ? ? +46626 ATOM C CE2 . TYR AI 25 35 ? -11.164 45.706 -27.424 1.00 62.36 ? 42 TYR u CE2 1 ? ? +46627 ATOM C CZ . TYR AI 25 35 ? -11.281 45.974 -26.077 1.00 62.36 ? 42 TYR u CZ 1 ? ? +46628 ATOM O OH . TYR AI 25 35 ? -11.501 44.948 -25.205 1.00 61.72 ? 42 TYR u OH 1 ? ? +46629 ATOM C C . TYR AI 25 35 ? -12.427 50.681 -28.034 1.00 66.21 ? 42 TYR u C 1 ? ? +46630 ATOM O O . TYR AI 25 35 ? -11.902 51.675 -27.537 1.00 66.68 ? 42 TYR u O 1 ? ? +46631 ATOM N N . PRO AI 25 36 ? -13.540 50.142 -27.480 1.00 66.24 ? 43 PRO u N 1 ? ? +46632 ATOM C CA . PRO AI 25 36 ? -14.198 48.944 -28.005 1.00 65.83 ? 43 PRO u CA 1 ? ? +46633 ATOM C CB . PRO AI 25 36 ? -14.826 48.352 -26.738 1.00 65.51 ? 43 PRO u CB 1 ? ? +46634 ATOM C CG . PRO AI 25 36 ? -15.215 49.566 -25.921 1.00 66.22 ? 43 PRO u CG 1 ? ? +46635 ATOM C CD . PRO AI 25 36 ? -14.189 50.639 -26.252 1.00 66.62 ? 43 PRO u CD 1 ? ? +46636 ATOM C C . PRO AI 25 36 ? -15.281 49.138 -29.068 1.00 66.43 ? 43 PRO u C 1 ? ? +46637 ATOM O O . PRO AI 25 36 ? -15.615 48.185 -29.766 1.00 66.12 ? 43 PRO u O 1 ? ? +46638 ATOM N N . THR AI 25 37 ? -15.835 50.354 -29.190 1.00 67.41 ? 44 THR u N 1 ? ? +46639 ATOM C CA . THR AI 25 37 ? -17.103 50.532 -29.883 1.00 68.09 ? 44 THR u CA 1 ? ? +46640 ATOM C CB . THR AI 25 37 ? -17.675 51.931 -29.678 1.00 69.11 ? 44 THR u CB 1 ? ? +46641 ATOM O OG1 . THR AI 25 37 ? -17.651 52.250 -28.289 1.00 69.10 ? 44 THR u OG1 1 ? ? +46642 ATOM C CG2 . THR AI 25 37 ? -19.097 52.054 -30.179 1.00 69.73 ? 44 THR u CG2 1 ? ? +46643 ATOM C C . THR AI 25 37 ? -17.004 50.204 -31.370 1.00 68.21 ? 44 THR u C 1 ? ? +46644 ATOM O O . THR AI 25 37 ? -17.777 49.392 -31.866 1.00 68.18 ? 44 THR u O 1 ? ? +46645 ATOM N N . LEU AI 25 38 ? -16.062 50.831 -32.082 1.00 68.50 ? 45 LEU u N 1 ? ? +46646 ATOM C CA . LEU AI 25 38 ? -15.915 50.571 -33.505 1.00 68.59 ? 45 LEU u CA 1 ? ? +46647 ATOM C CB . LEU AI 25 38 ? -14.950 51.561 -34.137 1.00 69.04 ? 45 LEU u CB 1 ? ? +46648 ATOM C CG . LEU AI 25 38 ? -15.578 52.873 -34.529 1.00 70.13 ? 45 LEU u CG 1 ? ? +46649 ATOM C CD1 . LEU AI 25 38 ? -14.610 53.720 -35.301 1.00 70.56 ? 45 LEU u CD1 1 ? ? +46650 ATOM C CD2 . LEU AI 25 38 ? -16.832 52.650 -35.335 1.00 70.55 ? 45 LEU u CD2 1 ? ? +46651 ATOM C C . LEU AI 25 38 ? -15.456 49.147 -33.793 1.00 67.71 ? 45 LEU u C 1 ? ? +46652 ATOM O O . LEU AI 25 38 ? -15.896 48.537 -34.762 1.00 67.65 ? 45 LEU u O 1 ? ? +46653 ATOM N N . ALA AI 25 39 ? -14.567 48.626 -32.946 1.00 67.21 ? 46 ALA u N 1 ? ? +46654 ATOM C CA . ALA AI 25 39 ? -14.074 47.265 -33.084 1.00 66.45 ? 46 ALA u CA 1 ? ? +46655 ATOM C CB . ALA AI 25 39 ? -13.101 46.944 -31.963 1.00 65.79 ? 46 ALA u CB 1 ? ? +46656 ATOM C C . ALA AI 25 39 ? -15.225 46.263 -33.074 1.00 66.47 ? 46 ALA u C 1 ? ? +46657 ATOM O O . ALA AI 25 39 ? -15.260 45.333 -33.877 1.00 66.08 ? 46 ALA u O 1 ? ? +46658 ATOM N N . LYS AI 25 40 ? -16.157 46.465 -32.137 1.00 67.03 ? 47 LYS u N 1 ? ? +46659 ATOM C CA . LYS AI 25 40 ? -17.331 45.620 -32.020 1.00 67.12 ? 47 LYS u CA 1 ? ? +46660 ATOM C CB . LYS AI 25 40 ? -18.165 46.044 -30.798 1.00 67.74 ? 47 LYS u CB 1 ? ? +46661 ATOM C CG . LYS AI 25 40 ? -19.699 46.019 -30.949 1.00 68.57 ? 47 LYS u CG 1 ? ? +46662 ATOM C CD . LYS AI 25 40 ? -20.382 45.621 -29.650 1.00 68.66 ? 47 LYS u CD 1 ? ? +46663 ATOM C CE . LYS AI 25 40 ? -21.723 46.257 -29.439 1.00 69.79 ? 47 LYS u CE 1 ? ? +46664 ATOM N NZ . LYS AI 25 40 ? -22.337 45.748 -28.174 1.00 69.76 ? 47 LYS u NZ 1 ? ? +46665 ATOM C C . LYS AI 25 40 ? -18.138 45.646 -33.313 1.00 67.59 ? 47 LYS u C 1 ? ? +46666 ATOM O O . LYS AI 25 40 ? -18.497 44.590 -33.824 1.00 67.36 ? 47 LYS u O 1 ? ? +46667 ATOM N N . LEU AI 25 41 ? -18.409 46.850 -33.829 1.00 68.39 ? 48 LEU u N 1 ? ? +46668 ATOM C CA . LEU AI 25 41 ? -19.163 47.008 -35.064 1.00 68.88 ? 48 LEU u CA 1 ? ? +46669 ATOM C CB . LEU AI 25 41 ? -19.430 48.497 -35.318 1.00 69.94 ? 48 LEU u CB 1 ? ? +46670 ATOM C CG . LEU AI 25 41 ? -20.440 49.164 -34.364 1.00 70.60 ? 48 LEU u CG 1 ? ? +46671 ATOM C CD1 . LEU AI 25 41 ? -20.712 50.591 -34.758 1.00 71.61 ? 48 LEU u CD1 1 ? ? +46672 ATOM C CD2 . LEU AI 25 41 ? -21.757 48.406 -34.321 1.00 70.68 ? 48 LEU u CD2 1 ? ? +46673 ATOM C C . LEU AI 25 41 ? -18.451 46.375 -36.262 1.00 68.38 ? 48 LEU u C 1 ? ? +46674 ATOM O O . LEU AI 25 41 ? -19.082 45.700 -37.075 1.00 68.28 ? 48 LEU u O 1 ? ? +46675 ATOM N N . ILE AI 25 42 ? -17.129 46.575 -36.357 1.00 67.99 ? 49 ILE u N 1 ? ? +46676 ATOM C CA . ILE AI 25 42 ? -16.350 46.027 -37.458 1.00 67.49 ? 49 ILE u CA 1 ? ? +46677 ATOM C CB . ILE AI 25 42 ? -14.882 46.510 -37.403 1.00 67.24 ? 49 ILE u CB 1 ? ? +46678 ATOM C CG1 . ILE AI 25 42 ? -14.784 48.018 -37.656 1.00 68.18 ? 49 ILE u CG1 1 ? ? +46679 ATOM C CG2 . ILE AI 25 42 ? -13.984 45.740 -38.387 1.00 66.67 ? 49 ILE u CG2 1 ? ? +46680 ATOM C CD1 . ILE AI 25 42 ? -13.462 48.608 -37.201 1.00 68.01 ? 49 ILE u CD1 1 ? ? +46681 ATOM C C . ILE AI 25 42 ? -16.422 44.503 -37.488 1.00 66.62 ? 49 ILE u C 1 ? ? +46682 ATOM O O . ILE AI 25 42 ? -16.608 43.907 -38.547 1.00 66.61 ? 49 ILE u O 1 ? ? +46683 ATOM N N . VAL AI 25 43 ? -16.254 43.874 -36.322 1.00 66.02 ? 50 VAL u N 1 ? ? +46684 ATOM C CA . VAL AI 25 43 ? -16.215 42.422 -36.246 1.00 65.23 ? 50 VAL u CA 1 ? ? +46685 ATOM C CB . VAL AI 25 43 ? -15.586 41.958 -34.915 1.00 64.52 ? 50 VAL u CB 1 ? ? +46686 ATOM C CG1 . VAL AI 25 43 ? -15.719 40.451 -34.727 1.00 63.71 ? 50 VAL u CG1 1 ? ? +46687 ATOM C CG2 . VAL AI 25 43 ? -14.128 42.396 -34.834 1.00 64.29 ? 50 VAL u CG2 1 ? ? +46688 ATOM C C . VAL AI 25 43 ? -17.608 41.844 -36.467 1.00 65.38 ? 50 VAL u C 1 ? ? +46689 ATOM O O . VAL AI 25 43 ? -17.761 40.836 -37.144 1.00 65.04 ? 50 VAL u O 1 ? ? +46690 ATOM N N . LYS AI 25 44 ? -18.618 42.507 -35.909 1.00 66.14 ? 51 LYS u N 1 ? ? +46691 ATOM C CA . LYS AI 25 44 ? -19.997 42.077 -36.063 1.00 66.57 ? 51 LYS u CA 1 ? ? +46692 ATOM C CB . LYS AI 25 44 ? -20.943 43.020 -35.295 1.00 67.60 ? 51 LYS u CB 1 ? ? +46693 ATOM C CG . LYS AI 25 44 ? -22.171 42.352 -34.730 1.00 67.91 ? 51 LYS u CG 1 ? ? +46694 ATOM C CD . LYS AI 25 44 ? -21.796 41.385 -33.574 1.00 67.22 ? 51 LYS u CD 1 ? ? +46695 ATOM C CE . LYS AI 25 44 ? -22.998 41.019 -32.712 1.00 67.54 ? 51 LYS u CE 1 ? ? +46696 ATOM N NZ . LYS AI 25 44 ? -22.739 39.782 -31.921 1.00 66.69 ? 51 LYS u NZ 1 ? ? +46697 ATOM C C . LYS AI 25 44 ? -20.386 42.031 -37.539 1.00 66.77 ? 51 LYS u C 1 ? ? +46698 ATOM O O . LYS AI 25 44 ? -21.017 41.074 -37.976 1.00 66.57 ? 51 LYS u O 1 ? ? +46699 ATOM N N . ASN AI 25 45 ? -19.984 43.059 -38.306 1.00 67.15 ? 52 ASN u N 1 ? ? +46700 ATOM C CA . ASN AI 25 45 ? -20.419 43.216 -39.687 1.00 67.50 ? 52 ASN u CA 1 ? ? +46701 ATOM C CB . ASN AI 25 45 ? -20.664 44.673 -39.964 1.00 68.40 ? 52 ASN u CB 1 ? ? +46702 ATOM C CG . ASN AI 25 45 ? -21.872 45.171 -39.234 1.00 68.97 ? 52 ASN u CG 1 ? ? +46703 ATOM O OD1 . ASN AI 25 45 ? -22.990 45.072 -39.730 1.00 69.50 ? 52 ASN u OD1 1 ? ? +46704 ATOM N ND2 . ASN AI 25 45 ? -21.681 45.717 -38.051 1.00 68.93 ? 52 ASN u ND2 1 ? ? +46705 ATOM C C . ASN AI 25 45 ? -19.483 42.640 -40.750 1.00 66.95 ? 52 ASN u C 1 ? ? +46706 ATOM O O . ASN AI 25 45 ? -19.707 42.844 -41.939 1.00 67.51 ? 52 ASN u O 1 ? ? +46707 ATOM N N . ALA AI 25 46 ? -18.457 41.895 -40.335 1.00 65.95 ? 53 ALA u N 1 ? ? +46708 ATOM C CA . ALA AI 25 46 ? -17.599 41.195 -41.279 1.00 65.48 ? 53 ALA u CA 1 ? ? +46709 ATOM C CB . ALA AI 25 46 ? -16.326 40.726 -40.567 1.00 64.53 ? 53 ALA u CB 1 ? ? +46710 ATOM C C . ALA AI 25 46 ? -18.363 40.022 -41.900 1.00 65.22 ? 53 ALA u C 1 ? ? +46711 ATOM O O . ALA AI 25 46 ? -19.359 39.579 -41.340 1.00 65.22 ? 53 ALA u O 1 ? ? +46712 ATOM N N . PRO AI 25 47 ? -17.936 39.440 -43.045 1.00 64.98 ? 54 PRO u N 1 ? ? +46713 ATOM C CA . PRO AI 25 47 ? -16.749 39.881 -43.779 1.00 64.98 ? 54 PRO u CA 1 ? ? +46714 ATOM C CB . PRO AI 25 47 ? -16.347 38.617 -44.526 1.00 64.42 ? 54 PRO u CB 1 ? ? +46715 ATOM C CG . PRO AI 25 47 ? -17.698 37.947 -44.828 1.00 64.60 ? 54 PRO u CG 1 ? ? +46716 ATOM C CD . PRO AI 25 47 ? -18.562 38.249 -43.641 1.00 64.73 ? 54 PRO u CD 1 ? ? +46717 ATOM C C . PRO AI 25 47 ? -16.976 41.024 -44.762 1.00 65.87 ? 54 PRO u C 1 ? ? +46718 ATOM O O . PRO AI 25 47 ? -18.111 41.404 -45.027 1.00 66.58 ? 54 PRO u O 1 ? ? +46719 ATOM N N . TYR AI 25 48 ? -15.862 41.544 -45.294 1.00 65.87 ? 55 TYR u N 1 ? ? +46720 ATOM C CA . TYR AI 25 48 ? -15.844 42.665 -46.218 1.00 66.71 ? 55 TYR u CA 1 ? ? +46721 ATOM C CB . TYR AI 25 48 ? -15.155 43.880 -45.570 1.00 66.74 ? 55 TYR u CB 1 ? ? +46722 ATOM C CG . TYR AI 25 48 ? -15.716 44.260 -44.215 1.00 66.49 ? 55 TYR u CG 1 ? ? +46723 ATOM C CD1 . TYR AI 25 48 ? -16.767 45.154 -44.102 1.00 67.15 ? 55 TYR u CD1 1 ? ? +46724 ATOM C CD2 . TYR AI 25 48 ? -15.207 43.707 -43.051 1.00 65.54 ? 55 TYR u CD2 1 ? ? +46725 ATOM C CE1 . TYR AI 25 48 ? -17.289 45.501 -42.862 1.00 67.13 ? 55 TYR u CE1 1 ? ? +46726 ATOM C CE2 . TYR AI 25 48 ? -15.717 44.050 -41.806 1.00 65.51 ? 55 TYR u CE2 1 ? ? +46727 ATOM C CZ . TYR AI 25 48 ? -16.767 44.942 -41.715 1.00 66.31 ? 55 TYR u CZ 1 ? ? +46728 ATOM O OH . TYR AI 25 48 ? -17.298 45.285 -40.497 1.00 66.31 ? 55 TYR u OH 1 ? ? +46729 ATOM C C . TYR AI 25 48 ? -15.091 42.233 -47.471 1.00 66.92 ? 55 TYR u C 1 ? ? +46730 ATOM O O . TYR AI 25 48 ? -14.131 41.474 -47.368 1.00 66.29 ? 55 TYR u O 1 ? ? +46731 ATOM N N . GLU AI 25 49 ? -15.528 42.711 -48.645 1.00 68.12 ? 56 GLU u N 1 ? ? +46732 ATOM C CA . GLU AI 25 49 ? -14.836 42.405 -49.889 1.00 68.48 ? 56 GLU u CA 1 ? ? +46733 ATOM C CB . GLU AI 25 49 ? -15.727 42.629 -51.097 1.00 69.90 ? 56 GLU u CB 1 ? ? +46734 ATOM C CG . GLU AI 25 49 ? -16.663 41.496 -51.436 1.00 70.29 ? 56 GLU u CG 1 ? ? +46735 ATOM C CD . GLU AI 25 49 ? -17.495 41.817 -52.667 1.00 71.82 ? 56 GLU u CD 1 ? ? +46736 ATOM O OE1 . GLU AI 25 49 ? -16.923 41.842 -53.787 1.00 72.46 ? 56 GLU u OE1 1 ? ? +46737 ATOM O OE2 . GLU AI 25 49 ? -18.714 42.077 -52.508 1.00 72.84 ? 56 GLU u OE2 1 ? ? +46738 ATOM C C . GLU AI 25 49 ? -13.588 43.267 -50.060 1.00 68.36 ? 56 GLU u C 1 ? ? +46739 ATOM O O . GLU AI 25 49 ? -12.585 42.807 -50.598 1.00 67.92 ? 56 GLU u O 1 ? ? +46740 ATOM N N . SER AI 25 50 ? -13.680 44.527 -49.622 1.00 68.70 ? 57 SER u N 1 ? ? +46741 ATOM C CA . SER AI 25 50 ? -12.541 45.426 -49.621 1.00 68.65 ? 57 SER u CA 1 ? ? +46742 ATOM C CB . SER AI 25 50 ? -12.547 46.299 -50.863 1.00 69.54 ? 57 SER u CB 1 ? ? +46743 ATOM O OG . SER AI 25 50 ? -13.569 47.267 -50.753 1.00 70.44 ? 57 SER u OG 1 ? ? +46744 ATOM C C . SER AI 25 50 ? -12.545 46.276 -48.354 1.00 68.53 ? 57 SER u C 1 ? ? +46745 ATOM O O . SER AI 25 50 ? -13.559 46.358 -47.667 1.00 68.68 ? 57 SER u O 1 ? ? +46746 ATOM N N . VAL AI 25 51 ? -11.398 46.906 -48.074 1.00 68.21 ? 58 VAL u N 1 ? ? +46747 ATOM C CA . VAL AI 25 51 ? -11.196 47.664 -46.853 1.00 68.00 ? 58 VAL u CA 1 ? ? +46748 ATOM C CB . VAL AI 25 51 ? -9.742 48.214 -46.791 1.00 67.89 ? 58 VAL u CB 1 ? ? +46749 ATOM C CG1 . VAL AI 25 51 ? -9.535 49.102 -45.576 1.00 68.05 ? 58 VAL u CG1 1 ? ? +46750 ATOM C CG2 . VAL AI 25 51 ? -8.732 47.090 -46.802 1.00 66.93 ? 58 VAL u CG2 1 ? ? +46751 ATOM C C . VAL AI 25 51 ? -12.229 48.782 -46.732 1.00 68.75 ? 58 VAL u C 1 ? ? +46752 ATOM O O . VAL AI 25 51 ? -12.784 49.001 -45.661 1.00 68.62 ? 58 VAL u O 1 ? ? +46753 ATOM N N . GLU AI 25 52 ? -12.482 49.478 -47.844 1.00 69.51 ? 59 GLU u N 1 ? ? +46754 ATOM C CA . GLU AI 25 52 ? -13.347 50.650 -47.836 1.00 70.46 ? 59 GLU u CA 1 ? ? +46755 ATOM C CB . GLU AI 25 52 ? -13.252 51.458 -49.150 1.00 71.40 ? 59 GLU u CB 1 ? ? +46756 ATOM C CG . GLU AI 25 52 ? -13.396 50.679 -50.452 1.00 71.40 ? 59 GLU u CG 1 ? ? +46757 ATOM C CD . GLU AI 25 52 ? -12.091 50.131 -51.006 1.00 70.88 ? 59 GLU u CD 1 ? ? +46758 ATOM O OE1 . GLU AI 25 52 ? -11.264 49.662 -50.200 1.00 70.07 ? 59 GLU u OE1 1 ? ? +46759 ATOM O OE2 . GLU AI 25 52 ? -11.907 50.136 -52.243 1.00 71.33 ? 59 GLU u OE2 1 ? ? +46760 ATOM C C . GLU AI 25 52 ? -14.809 50.317 -47.528 1.00 70.51 ? 59 GLU u C 1 ? ? +46761 ATOM O O . GLU AI 25 52 ? -15.565 51.199 -47.130 1.00 71.18 ? 59 GLU u O 1 ? ? +46762 ATOM N N . ASP AI 25 53 ? -15.201 49.047 -47.686 1.00 69.82 ? 60 ASP u N 1 ? ? +46763 ATOM C CA . ASP AI 25 53 ? -16.552 48.615 -47.361 1.00 69.81 ? 60 ASP u CA 1 ? ? +46764 ATOM C CB . ASP AI 25 53 ? -16.757 47.134 -47.679 1.00 69.00 ? 60 ASP u CB 1 ? ? +46765 ATOM C CG . ASP AI 25 53 ? -16.806 46.783 -49.139 1.00 69.22 ? 60 ASP u CG 1 ? ? +46766 ATOM O OD1 . ASP AI 25 53 ? -16.958 47.690 -49.964 1.00 70.08 ? 60 ASP u OD1 1 ? ? +46767 ATOM O OD2 . ASP AI 25 53 ? -16.687 45.609 -49.453 1.00 68.64 ? 60 ASP u OD2 1 ? ? +46768 ATOM C C . ASP AI 25 53 ? -16.900 48.837 -45.894 1.00 69.66 ? 60 ASP u C 1 ? ? +46769 ATOM O O . ASP AI 25 53 ? -18.069 48.946 -45.546 1.00 70.08 ? 60 ASP u O 1 ? ? +46770 ATOM N N . VAL AI 25 54 ? -15.881 48.908 -45.038 1.00 69.17 ? 61 VAL u N 1 ? ? +46771 ATOM C CA . VAL AI 25 54 ? -16.093 49.126 -43.619 1.00 69.02 ? 61 VAL u CA 1 ? ? +46772 ATOM C CB . VAL AI 25 54 ? -14.745 49.042 -42.863 1.00 68.31 ? 61 VAL u CB 1 ? ? +46773 ATOM C CG1 . VAL AI 25 54 ? -13.937 50.322 -43.032 1.00 68.92 ? 61 VAL u CG1 1 ? ? +46774 ATOM C CG2 . VAL AI 25 54 ? -14.948 48.720 -41.392 1.00 67.77 ? 61 VAL u CG2 1 ? ? +46775 ATOM C C . VAL AI 25 54 ? -16.813 50.447 -43.355 1.00 70.08 ? 61 VAL u C 1 ? ? +46776 ATOM O O . VAL AI 25 54 ? -17.489 50.573 -42.342 1.00 70.09 ? 61 VAL u O 1 ? ? +46777 ATOM N N . LEU AI 25 55 ? -16.669 51.416 -44.270 1.00 71.06 ? 62 LEU u N 1 ? ? +46778 ATOM C CA . LEU AI 25 55 ? -17.314 52.718 -44.153 1.00 72.24 ? 62 LEU u CA 1 ? ? +46779 ATOM C CB . LEU AI 25 55 ? -16.797 53.683 -45.242 1.00 73.01 ? 62 LEU u CB 1 ? ? +46780 ATOM C CG . LEU AI 25 55 ? -15.320 53.999 -45.287 1.00 72.76 ? 62 LEU u CG 1 ? ? +46781 ATOM C CD1 . LEU AI 25 55 ? -15.005 54.869 -46.480 1.00 73.58 ? 62 LEU u CD1 1 ? ? +46782 ATOM C CD2 . LEU AI 25 55 ? -14.867 54.683 -44.030 1.00 72.72 ? 62 LEU u CD2 1 ? ? +46783 ATOM C C . LEU AI 25 55 ? -18.835 52.647 -44.312 1.00 72.98 ? 62 LEU u C 1 ? ? +46784 ATOM O O . LEU AI 25 55 ? -19.544 53.601 -43.989 1.00 73.76 ? 62 LEU u O 1 ? ? +46785 ATOM N N . ASN AI 25 56 ? -19.319 51.522 -44.859 1.00 72.85 ? 63 ASN u N 1 ? ? +46786 ATOM C CA . ASN AI 25 56 ? -20.726 51.336 -45.166 1.00 73.51 ? 63 ASN u CA 1 ? ? +46787 ATOM C CB . ASN AI 25 56 ? -20.865 50.600 -46.494 1.00 73.42 ? 63 ASN u CB 1 ? ? +46788 ATOM C CG . ASN AI 25 56 ? -20.392 51.393 -47.678 1.00 74.04 ? 63 ASN u CG 1 ? ? +46789 ATOM O OD1 . ASN AI 25 56 ? -20.299 52.612 -47.670 1.00 74.76 ? 63 ASN u OD1 1 ? ? +46790 ATOM N ND2 . ASN AI 25 56 ? -20.121 50.719 -48.747 1.00 73.85 ? 63 ASN u ND2 1 ? ? +46791 ATOM C C . ASN AI 25 56 ? -21.486 50.567 -44.088 1.00 73.30 ? 63 ASN u C 1 ? ? +46792 ATOM O O . ASN AI 25 56 ? -22.636 50.196 -44.305 1.00 73.76 ? 63 ASN u O 1 ? ? +46793 ATOM N N . ILE AI 25 57 ? -20.856 50.335 -42.931 1.00 72.85 ? 64 ILE u N 1 ? ? +46794 ATOM C CA . ILE AI 25 57 ? -21.536 49.673 -41.831 1.00 72.68 ? 64 ILE u CA 1 ? ? +46795 ATOM C CB . ILE AI 25 57 ? -20.615 49.432 -40.629 1.00 71.84 ? 64 ILE u CB 1 ? ? +46796 ATOM C CG1 . ILE AI 25 57 ? -19.519 48.465 -40.952 1.00 70.84 ? 64 ILE u CG1 1 ? ? +46797 ATOM C CG2 . ILE AI 25 57 ? -21.404 48.939 -39.421 1.00 71.64 ? 64 ILE u CG2 1 ? ? +46798 ATOM C CD1 . ILE AI 25 57 ? -18.476 48.458 -39.930 1.00 70.24 ? 64 ILE u CD1 1 ? ? +46799 ATOM C C . ILE AI 25 57 ? -22.739 50.519 -41.427 1.00 73.97 ? 64 ILE u C 1 ? ? +46800 ATOM O O . ILE AI 25 57 ? -22.590 51.711 -41.164 1.00 74.76 ? 64 ILE u O 1 ? ? +46801 ATOM N N . PRO AI 25 58 ? -23.971 49.955 -41.400 1.00 74.50 ? 65 PRO u N 1 ? ? +46802 ATOM C CA . PRO AI 25 58 ? -25.151 50.726 -41.005 1.00 75.60 ? 65 PRO u CA 1 ? ? +46803 ATOM C CB . PRO AI 25 58 ? -26.292 49.718 -41.158 1.00 75.49 ? 65 PRO u CB 1 ? ? +46804 ATOM C CG . PRO AI 25 58 ? -25.766 48.674 -42.092 1.00 74.79 ? 65 PRO u CG 1 ? ? +46805 ATOM C CD . PRO AI 25 58 ? -24.305 48.581 -41.804 1.00 73.93 ? 65 PRO u CD 1 ? ? +46806 ATOM C C . PRO AI 25 58 ? -25.065 51.252 -39.576 1.00 75.77 ? 65 PRO u C 1 ? ? +46807 ATOM O O . PRO AI 25 58 ? -24.615 50.545 -38.678 1.00 74.92 ? 65 PRO u O 1 ? ? +46808 ATOM N N . GLY AI 25 59 ? -25.490 52.505 -39.390 1.00 77.05 ? 66 GLY u N 1 ? ? +46809 ATOM C CA . GLY AI 25 59 ? -25.621 53.094 -38.068 1.00 77.46 ? 66 GLY u CA 1 ? ? +46810 ATOM C C . GLY AI 25 59 ? -24.369 53.760 -37.500 1.00 77.47 ? 66 GLY u C 1 ? ? +46811 ATOM O O . GLY AI 25 59 ? -24.404 54.254 -36.378 1.00 77.95 ? 66 GLY u O 1 ? ? +46812 ATOM N N . LEU AI 25 60 ? -23.272 53.793 -38.268 1.00 77.27 ? 67 LEU u N 1 ? ? +46813 ATOM C CA . LEU AI 25 60 ? -22.100 54.569 -37.891 1.00 77.08 ? 67 LEU u CA 1 ? ? +46814 ATOM C CB . LEU AI 25 60 ? -20.986 54.408 -38.932 1.00 76.64 ? 67 LEU u CB 1 ? ? +46815 ATOM C CG . LEU AI 25 60 ? -20.298 53.074 -38.965 1.00 75.39 ? 67 LEU u CG 1 ? ? +46816 ATOM C CD1 . LEU AI 25 60 ? -19.471 52.929 -40.200 1.00 75.22 ? 67 LEU u CD1 1 ? ? +46817 ATOM C CD2 . LEU AI 25 60 ? -19.433 52.917 -37.770 1.00 74.75 ? 67 LEU u CD2 1 ? ? +46818 ATOM C C . LEU AI 25 60 ? -22.462 56.048 -37.793 1.00 78.19 ? 67 LEU u C 1 ? ? +46819 ATOM O O . LEU AI 25 60 ? -23.238 56.541 -38.598 1.00 78.91 ? 67 LEU u O 1 ? ? +46820 ATOM N N . THR AI 25 61 ? -21.893 56.744 -36.803 1.00 78.34 ? 68 THR u N 1 ? ? +46821 ATOM C CA . THR AI 25 61 ? -22.017 58.189 -36.723 1.00 79.48 ? 68 THR u CA 1 ? ? +46822 ATOM C CB . THR AI 25 61 ? -21.769 58.688 -35.299 1.00 79.34 ? 68 THR u CB 1 ? ? +46823 ATOM O OG1 . THR AI 25 61 ? -20.401 58.469 -34.952 1.00 78.53 ? 68 THR u OG1 1 ? ? +46824 ATOM C CG2 . THR AI 25 61 ? -22.675 58.015 -34.287 1.00 79.00 ? 68 THR u CG2 1 ? ? +46825 ATOM C C . THR AI 25 61 ? -21.051 58.800 -37.733 1.00 80.07 ? 68 THR u C 1 ? ? +46826 ATOM O O . THR AI 25 61 ? -20.238 58.093 -38.318 1.00 79.49 ? 68 THR u O 1 ? ? +46827 ATOM N N . GLU AI 25 62 ? -21.160 60.115 -37.942 1.00 81.50 ? 69 GLU u N 1 ? ? +46828 ATOM C CA . GLU AI 25 62 ? -20.278 60.825 -38.852 1.00 82.20 ? 69 GLU u CA 1 ? ? +46829 ATOM C CB . GLU AI 25 62 ? -20.806 62.250 -39.093 1.00 83.74 ? 69 GLU u CB 1 ? ? +46830 ATOM C CG . GLU AI 25 62 ? -22.135 62.294 -39.827 1.00 84.74 ? 69 GLU u CG 1 ? ? +46831 ATOM C CD . GLU AI 25 62 ? -22.132 61.506 -41.121 1.00 84.98 ? 69 GLU u CD 1 ? ? +46832 ATOM O OE1 . GLU AI 25 62 ? -21.163 61.655 -41.895 1.00 85.33 ? 69 GLU u OE1 1 ? ? +46833 ATOM O OE2 . GLU AI 25 62 ? -23.081 60.728 -41.363 1.00 85.40 ? 69 GLU u OE2 1 ? ? +46834 ATOM C C . GLU AI 25 62 ? -18.845 60.850 -38.318 1.00 81.66 ? 69 GLU u C 1 ? ? +46835 ATOM O O . GLU AI 25 62 ? -17.891 60.713 -39.087 1.00 81.37 ? 69 GLU u O 1 ? ? +46836 ATOM N N . ARG AI 25 63 ? -18.702 60.999 -36.995 1.00 81.53 ? 70 ARG u N 1 ? ? +46837 ATOM C CA . ARG AI 25 63 ? -17.388 61.021 -36.380 1.00 81.38 ? 70 ARG u CA 1 ? ? +46838 ATOM C CB . ARG AI 25 63 ? -17.461 61.476 -34.912 1.00 82.42 ? 70 ARG u CB 1 ? ? +46839 ATOM C CG . ARG AI 25 63 ? -16.102 61.535 -34.188 1.00 83.09 ? 70 ARG u CG 1 ? ? +46840 ATOM C CD . ARG AI 25 63 ? -15.099 62.523 -34.816 1.00 84.93 ? 70 ARG u CD 1 ? ? +46841 ATOM N NE . ARG AI 25 63 ? -13.764 62.419 -34.221 1.00 85.65 ? 70 ARG u NE 1 ? ? +46842 ATOM C CZ . ARG AI 25 63 ? -12.609 62.516 -34.889 1.00 86.41 ? 70 ARG u CZ 1 ? ? +46843 ATOM N NH1 . ARG AI 25 63 ? -12.560 62.952 -36.141 1.00 87.30 ? 70 ARG u NH1 1 ? ? +46844 ATOM N NH2 . ARG AI 25 63 ? -11.473 62.197 -34.272 1.00 85.86 ? 70 ARG u NH2 1 ? ? +46845 ATOM C C . ARG AI 25 63 ? -16.718 59.655 -36.502 1.00 79.58 ? 70 ARG u C 1 ? ? +46846 ATOM O O . ARG AI 25 63 ? -15.512 59.572 -36.711 1.00 79.07 ? 70 ARG u O 1 ? ? +46847 ATOM N N . GLN AI 25 64 ? -17.509 58.584 -36.380 1.00 78.33 ? 71 GLN u N 1 ? ? +46848 ATOM C CA . GLN AI 25 64 ? -16.980 57.240 -36.517 1.00 76.78 ? 71 GLN u CA 1 ? ? +46849 ATOM C CB . GLN AI 25 64 ? -18.044 56.206 -36.152 1.00 76.62 ? 71 GLN u CB 1 ? ? +46850 ATOM C CG . GLN AI 25 64 ? -18.332 56.160 -34.666 1.00 76.59 ? 71 GLN u CG 1 ? ? +46851 ATOM C CD . GLN AI 25 64 ? -19.450 55.221 -34.312 1.00 76.48 ? 71 GLN u CD 1 ? ? +46852 ATOM O OE1 . GLN AI 25 64 ? -20.483 55.151 -34.978 1.00 77.23 ? 71 GLN u OE1 1 ? ? +46853 ATOM N NE2 . GLN AI 25 64 ? -19.270 54.472 -33.258 1.00 75.87 ? 71 GLN u NE2 1 ? ? +46854 ATOM C C . GLN AI 25 64 ? -16.448 56.991 -37.926 1.00 76.05 ? 71 GLN u C 1 ? ? +46855 ATOM O O . GLN AI 25 64 ? -15.401 56.379 -38.086 1.00 75.20 ? 71 GLN u O 1 ? ? +46856 ATOM N N . LYS AI 25 65 ? -17.170 57.469 -38.941 1.00 76.22 ? 72 LYS u N 1 ? ? +46857 ATOM C CA . LYS AI 25 65 ? -16.717 57.348 -40.318 1.00 75.86 ? 72 LYS u CA 1 ? ? +46858 ATOM C CB . LYS AI 25 65 ? -17.782 57.870 -41.287 1.00 76.78 ? 72 LYS u CB 1 ? ? +46859 ATOM C CG . LYS AI 25 65 ? -19.088 57.083 -41.299 1.00 76.61 ? 72 LYS u CG 1 ? ? +46860 ATOM C CD . LYS AI 25 65 ? -20.139 57.790 -42.119 1.00 77.67 ? 72 LYS u CD 1 ? ? +46861 ATOM C CE . LYS AI 25 65 ? -21.517 57.226 -41.978 1.00 77.70 ? 72 LYS u CE 1 ? ? +46862 ATOM N NZ . LYS AI 25 65 ? -22.454 57.969 -42.843 1.00 78.79 ? 72 LYS u NZ 1 ? ? +46863 ATOM C C . LYS AI 25 65 ? -15.408 58.101 -40.550 1.00 75.65 ? 72 LYS u C 1 ? ? +46864 ATOM O O . LYS AI 25 65 ? -14.582 57.668 -41.346 1.00 75.23 ? 72 LYS u O 1 ? ? +46865 ATOM N N . GLN AI 25 66 ? -15.232 59.235 -39.860 1.00 75.86 ? 73 GLN u N 1 ? ? +46866 ATOM C CA . GLN AI 25 66 ? -13.998 59.997 -39.936 1.00 75.79 ? 73 GLN u CA 1 ? ? +46867 ATOM C CB . GLN AI 25 66 ? -14.153 61.332 -39.229 1.00 76.67 ? 73 GLN u CB 1 ? ? +46868 ATOM C CG . GLN AI 25 66 ? -14.846 62.357 -40.075 1.00 77.92 ? 73 GLN u CG 1 ? ? +46869 ATOM C CD . GLN AI 25 66 ? -15.047 63.651 -39.344 1.00 78.82 ? 73 GLN u CD 1 ? ? +46870 ATOM O OE1 . GLN AI 25 66 ? -14.372 63.964 -38.353 1.00 78.73 ? 73 GLN u OE1 1 ? ? +46871 ATOM N NE2 . GLN AI 25 66 ? -15.985 64.430 -39.821 1.00 79.86 ? 73 GLN u NE2 1 ? ? +46872 ATOM C C . GLN AI 25 66 ? -12.830 59.222 -39.333 1.00 74.52 ? 73 GLN u C 1 ? ? +46873 ATOM O O . GLN AI 25 66 ? -11.756 59.145 -39.929 1.00 74.31 ? 73 GLN u O 1 ? ? +46874 ATOM N N . ILE AI 25 67 ? -13.055 58.636 -38.154 1.00 73.59 ? 74 ILE u N 1 ? ? +46875 ATOM C CA . ILE AI 25 67 ? -12.043 57.830 -37.491 1.00 72.42 ? 74 ILE u CA 1 ? ? +46876 ATOM C CB . ILE AI 25 67 ? -12.510 57.398 -36.078 1.00 71.96 ? 74 ILE u CB 1 ? ? +46877 ATOM C CG1 . ILE AI 25 67 ? -12.737 58.605 -35.158 1.00 72.69 ? 74 ILE u CG1 1 ? ? +46878 ATOM C CG2 . ILE AI 25 67 ? -11.523 56.442 -35.441 1.00 70.91 ? 74 ILE u CG2 1 ? ? +46879 ATOM C CD1 . ILE AI 25 67 ? -13.414 58.261 -33.840 1.00 72.37 ? 74 ILE u CD1 1 ? ? +46880 ATOM C C . ILE AI 25 67 ? -11.652 56.626 -38.345 1.00 71.46 ? 74 ILE u C 1 ? ? +46881 ATOM O O . ILE AI 25 67 ? -10.478 56.283 -38.434 1.00 70.99 ? 74 ILE u O 1 ? ? +46882 ATOM N N . LEU AI 25 68 ? -12.636 55.983 -38.979 1.00 71.19 ? 75 LEU u N 1 ? ? +46883 ATOM C CA . LEU AI 25 68 ? -12.364 54.859 -39.859 1.00 70.41 ? 75 LEU u CA 1 ? ? +46884 ATOM C CB . LEU AI 25 68 ? -13.666 54.199 -40.337 1.00 70.42 ? 75 LEU u CB 1 ? ? +46885 ATOM C CG . LEU AI 25 68 ? -14.424 53.395 -39.300 1.00 69.83 ? 75 LEU u CG 1 ? ? +46886 ATOM C CD1 . LEU AI 25 68 ? -15.748 52.942 -39.850 1.00 70.07 ? 75 LEU u CD1 1 ? ? +46887 ATOM C CD2 . LEU AI 25 68 ? -13.631 52.201 -38.836 1.00 68.70 ? 75 LEU u CD2 1 ? ? +46888 ATOM C C . LEU AI 25 68 ? -11.545 55.286 -41.071 1.00 70.68 ? 75 LEU u C 1 ? ? +46889 ATOM O O . LEU AI 25 68 ? -10.660 54.556 -41.490 1.00 70.10 ? 75 LEU u O 1 ? ? +46890 ATOM N N . ARG AI 25 69 ? -11.838 56.461 -41.633 1.00 71.59 ? 76 ARG u N 1 ? ? +46891 ATOM C CA . ARG AI 25 69 ? -11.084 56.964 -42.770 1.00 71.99 ? 76 ARG u CA 1 ? ? +46892 ATOM C CB . ARG AI 25 69 ? -11.747 58.222 -43.354 1.00 73.09 ? 76 ARG u CB 1 ? ? +46893 ATOM C CG . ARG AI 25 69 ? -12.843 57.902 -44.375 1.00 73.33 ? 76 ARG u CG 1 ? ? +46894 ATOM C CD . ARG AI 25 69 ? -13.240 59.085 -45.202 1.00 74.45 ? 76 ARG u CD 1 ? ? +46895 ATOM N NE . ARG AI 25 69 ? -14.108 59.999 -44.473 1.00 75.06 ? 76 ARG u NE 1 ? ? +46896 ATOM C CZ . ARG AI 25 69 ? -15.413 59.836 -44.299 1.00 75.20 ? 76 ARG u CZ 1 ? ? +46897 ATOM N NH1 . ARG AI 25 69 ? -16.044 58.758 -44.737 1.00 74.73 ? 76 ARG u NH1 1 ? ? +46898 ATOM N NH2 . ARG AI 25 69 ? -16.102 60.775 -43.657 1.00 75.85 ? 76 ARG u NH2 1 ? ? +46899 ATOM C C . ARG AI 25 69 ? -9.611 57.219 -42.434 1.00 71.81 ? 76 ARG u C 1 ? ? +46900 ATOM O O . ARG AI 25 69 ? -8.731 56.903 -43.231 1.00 71.63 ? 76 ARG u O 1 ? ? +46901 ATOM N N . GLU AI 25 70 ? -9.345 57.771 -41.245 1.00 71.87 ? 77 GLU u N 1 ? ? +46902 ATOM C CA . GLU AI 25 70 ? -7.984 57.976 -40.781 1.00 71.66 ? 77 GLU u CA 1 ? ? +46903 ATOM C CB . GLU AI 25 70 ? -7.972 58.632 -39.407 1.00 71.81 ? 77 GLU u CB 1 ? ? +46904 ATOM C CG . GLU AI 25 70 ? -8.188 60.121 -39.435 1.00 72.98 ? 77 GLU u CG 1 ? ? +46905 ATOM C CD . GLU AI 25 70 ? -8.034 60.766 -38.079 1.00 73.15 ? 77 GLU u CD 1 ? ? +46906 ATOM O OE1 . GLU AI 25 70 ? -7.651 60.051 -37.131 1.00 72.43 ? 77 GLU u OE1 1 ? ? +46907 ATOM O OE2 . GLU AI 25 70 ? -8.313 61.978 -37.953 1.00 74.16 ? 77 GLU u OE2 1 ? ? +46908 ATOM C C . GLU AI 25 70 ? -7.176 56.687 -40.671 1.00 70.62 ? 77 GLU u C 1 ? ? +46909 ATOM O O . GLU AI 25 70 ? -5.959 56.719 -40.809 1.00 70.50 ? 77 GLU u O 1 ? ? +46910 ATOM N N . ASN AI 25 71 ? -7.865 55.571 -40.401 1.00 69.94 ? 78 ASN u N 1 ? ? +46911 ATOM C CA . ASN AI 25 71 ? -7.226 54.301 -40.103 1.00 68.85 ? 78 ASN u CA 1 ? ? +46912 ATOM C CB . ASN AI 25 71 ? -7.859 53.729 -38.852 1.00 68.28 ? 78 ASN u CB 1 ? ? +46913 ATOM C CG . ASN AI 25 71 ? -7.497 54.496 -37.627 1.00 68.46 ? 78 ASN u CG 1 ? ? +46914 ATOM O OD1 . ASN AI 25 71 ? -6.364 54.442 -37.160 1.00 68.13 ? 78 ASN u OD1 1 ? ? +46915 ATOM N ND2 . ASN AI 25 71 ? -8.443 55.237 -37.088 1.00 69.03 ? 78 ASN u ND2 1 ? ? +46916 ATOM C C . ASN AI 25 71 ? -7.283 53.247 -41.209 1.00 68.48 ? 78 ASN u C 1 ? ? +46917 ATOM O O . ASN AI 25 71 ? -6.873 52.112 -40.990 1.00 67.57 ? 78 ASN u O 1 ? ? +46918 ATOM N N . LEU AI 25 72 ? -7.763 53.615 -42.402 1.00 69.23 ? 79 LEU u N 1 ? ? +46919 ATOM C CA . LEU AI 25 72 ? -7.892 52.652 -43.487 1.00 68.98 ? 79 LEU u CA 1 ? ? +46920 ATOM C CB . LEU AI 25 72 ? -8.534 53.271 -44.742 1.00 69.94 ? 79 LEU u CB 1 ? ? +46921 ATOM C CG . LEU AI 25 72 ? -10.030 53.624 -44.635 1.00 70.53 ? 79 LEU u CG 1 ? ? +46922 ATOM C CD1 . LEU AI 25 72 ? -10.609 54.014 -45.987 1.00 71.32 ? 79 LEU u CD1 1 ? ? +46923 ATOM C CD2 . LEU AI 25 72 ? -10.848 52.470 -44.053 1.00 69.81 ? 79 LEU u CD2 1 ? ? +46924 ATOM C C . LEU AI 25 72 ? -6.542 52.064 -43.865 1.00 68.46 ? 79 LEU u C 1 ? ? +46925 ATOM O O . LEU AI 25 72 ? -6.448 50.865 -44.110 1.00 67.69 ? 79 LEU u O 1 ? ? +46926 ATOM N N . GLU AI 25 73 ? -5.508 52.918 -43.888 1.00 68.98 ? 80 GLU u N 1 ? ? +46927 ATOM C CA . GLU AI 25 73 ? -4.143 52.503 -44.184 1.00 68.64 ? 80 GLU u CA 1 ? ? +46928 ATOM C CB . GLU AI 25 73 ? -3.185 53.712 -44.100 1.00 69.54 ? 80 GLU u CB 1 ? ? +46929 ATOM C CG . GLU AI 25 73 ? -3.176 54.433 -42.754 1.00 69.87 ? 80 GLU u CG 1 ? ? +46930 ATOM C CD . GLU AI 25 73 ? -2.089 55.486 -42.608 1.00 70.64 ? 80 GLU u CD 1 ? ? +46931 ATOM O OE1 . GLU AI 25 73 ? -0.895 55.118 -42.718 1.00 70.53 ? 80 GLU u OE1 1 ? ? +46932 ATOM O OE2 . GLU AI 25 73 ? -2.424 56.671 -42.381 1.00 71.51 ? 80 GLU u OE2 1 ? ? +46933 ATOM C C . GLU AI 25 73 ? -3.635 51.382 -43.279 1.00 67.40 ? 80 GLU u C 1 ? ? +46934 ATOM O O . GLU AI 25 73 ? -2.777 50.613 -43.690 1.00 66.87 ? 80 GLU u O 1 ? ? +46935 ATOM N N . HIS AI 25 74 ? -4.179 51.292 -42.058 1.00 67.00 ? 81 HIS u N 1 ? ? +46936 ATOM C CA . HIS AI 25 74 ? -3.822 50.249 -41.112 1.00 65.97 ? 81 HIS u CA 1 ? ? +46937 ATOM C CB . HIS AI 25 74 ? -4.018 50.747 -39.671 1.00 66.05 ? 81 HIS u CB 1 ? ? +46938 ATOM C CG . HIS AI 25 74 ? -3.223 51.971 -39.332 1.00 66.72 ? 81 HIS u CG 1 ? ? +46939 ATOM N ND1 . HIS AI 25 74 ? -1.863 52.026 -39.540 1.00 66.68 ? 81 HIS u ND1 1 ? ? +46940 ATOM C CE1 . HIS AI 25 74 ? -1.484 53.231 -39.151 1.00 67.36 ? 81 HIS u CE1 1 ? ? +46941 ATOM N NE2 . HIS AI 25 74 ? -2.523 53.937 -38.703 1.00 67.84 ? 81 HIS u NE2 1 ? ? +46942 ATOM C CD2 . HIS AI 25 74 ? -3.631 53.146 -38.819 1.00 67.45 ? 81 HIS u CD2 1 ? ? +46943 ATOM C C . HIS AI 25 74 ? -4.615 48.954 -41.266 1.00 65.19 ? 81 HIS u C 1 ? ? +46944 ATOM O O . HIS AI 25 74 ? -4.345 47.995 -40.551 1.00 64.36 ? 81 HIS u O 1 ? ? +46945 ATOM N N . PHE AI 25 75 ? -5.603 48.941 -42.173 1.00 65.50 ? 82 PHE u N 1 ? ? +46946 ATOM C CA . PHE AI 25 75 ? -6.479 47.793 -42.356 1.00 64.86 ? 82 PHE u CA 1 ? ? +46947 ATOM C CB . PHE AI 25 75 ? -7.951 48.231 -42.420 1.00 65.38 ? 82 PHE u CB 1 ? ? +46948 ATOM C CG . PHE AI 25 75 ? -8.512 48.938 -41.214 1.00 65.58 ? 82 PHE u CG 1 ? ? +46949 ATOM C CD1 . PHE AI 25 75 ? -7.938 48.784 -39.969 1.00 65.03 ? 82 PHE u CD1 1 ? ? +46950 ATOM C CD2 . PHE AI 25 75 ? -9.626 49.759 -41.328 1.00 66.38 ? 82 PHE u CD2 1 ? ? +46951 ATOM C CE1 . PHE AI 25 75 ? -8.463 49.431 -38.860 1.00 65.28 ? 82 PHE u CE1 1 ? ? +46952 ATOM C CE2 . PHE AI 25 75 ? -10.149 50.408 -40.215 1.00 66.61 ? 82 PHE u CE2 1 ? ? +46953 ATOM C CZ . PHE AI 25 75 ? -9.560 50.241 -38.989 1.00 66.08 ? 82 PHE u CZ 1 ? ? +46954 ATOM C C . PHE AI 25 75 ? -6.136 47.033 -43.633 1.00 64.61 ? 82 PHE u C 1 ? ? +46955 ATOM O O . PHE AI 25 75 ? -5.523 47.578 -44.545 1.00 65.02 ? 82 PHE u O 1 ? ? +46956 ATOM N N . THR AI 25 76 ? -6.548 45.763 -43.665 1.00 63.96 ? 83 THR u N 1 ? ? +46957 ATOM C CA . THR AI 25 76 ? -6.478 44.928 -44.851 1.00 63.80 ? 83 THR u CA 1 ? ? +46958 ATOM C CB . THR AI 25 76 ? -5.129 44.182 -44.919 1.00 63.09 ? 83 THR u CB 1 ? ? +46959 ATOM O OG1 . THR AI 25 76 ? -4.997 43.503 -46.163 1.00 62.98 ? 83 THR u OG1 1 ? ? +46960 ATOM C CG2 . THR AI 25 76 ? -4.981 43.166 -43.837 1.00 62.17 ? 83 THR u CG2 1 ? ? +46961 ATOM C C . THR AI 25 76 ? -7.664 43.972 -44.800 1.00 63.55 ? 83 THR u C 1 ? ? +46962 ATOM O O . THR AI 25 76 ? -8.345 43.885 -43.783 1.00 63.34 ? 83 THR u O 1 ? ? +46963 ATOM N N . VAL AI 25 77 ? -7.896 43.258 -45.901 1.00 63.68 ? 84 VAL u N 1 ? ? +46964 ATOM C CA . VAL AI 25 77 ? -8.824 42.144 -45.902 1.00 63.49 ? 84 VAL u CA 1 ? ? +46965 ATOM C CB . VAL AI 25 77 ? -10.199 42.498 -46.519 1.00 64.15 ? 84 VAL u CB 1 ? ? +46966 ATOM C CG1 . VAL AI 25 77 ? -10.918 43.542 -45.684 1.00 64.68 ? 84 VAL u CG1 1 ? ? +46967 ATOM C CG2 . VAL AI 25 77 ? -10.065 42.952 -47.956 1.00 64.79 ? 84 VAL u CG2 1 ? ? +46968 ATOM C C . VAL AI 25 77 ? -8.181 40.976 -46.636 1.00 63.22 ? 84 VAL u C 1 ? ? +46969 ATOM O O . VAL AI 25 77 ? -7.494 41.168 -47.633 1.00 63.51 ? 84 VAL u O 1 ? ? +46970 ATOM N N . THR AI 25 78 ? -8.394 39.768 -46.109 1.00 62.90 ? 85 THR u N 1 ? ? +46971 ATOM C CA . THR AI 25 78 ? -8.056 38.539 -46.808 1.00 62.68 ? 85 THR u CA 1 ? ? +46972 ATOM C CB . THR AI 25 78 ? -6.774 37.934 -46.254 1.00 61.92 ? 85 THR u CB 1 ? ? +46973 ATOM O OG1 . THR AI 25 78 ? -7.024 37.436 -44.940 1.00 61.33 ? 85 THR u OG1 1 ? ? +46974 ATOM C CG2 . THR AI 25 78 ? -5.631 38.935 -46.218 1.00 62.25 ? 85 THR u CG2 1 ? ? +46975 ATOM C C . THR AI 25 78 ? -9.247 37.599 -46.662 1.00 62.85 ? 85 THR u C 1 ? ? +46976 ATOM O O . THR AI 25 78 ? -10.152 37.873 -45.878 1.00 63.02 ? 85 THR u O 1 ? ? +46977 ATOM N N . GLU AI 25 79 ? -9.229 36.487 -47.400 1.00 63.07 ? 86 GLU u N 1 ? ? +46978 ATOM C CA . GLU AI 25 79 ? -10.315 35.526 -47.336 1.00 63.48 ? 86 GLU u CA 1 ? ? +46979 ATOM C CB . GLU AI 25 79 ? -10.063 34.322 -48.260 1.00 63.79 ? 86 GLU u CB 1 ? ? +46980 ATOM C CG . GLU AI 25 79 ? -10.492 34.538 -49.716 1.00 65.39 ? 86 GLU u CG 1 ? ? +46981 ATOM C CD . GLU AI 25 79 ? -11.967 34.916 -50.011 1.00 67.29 ? 86 GLU u CD 1 ? ? +46982 ATOM O OE1 . GLU AI 25 79 ? -12.805 35.033 -49.070 1.00 67.72 ? 86 GLU u OE1 1 ? ? +46983 ATOM O OE2 . GLU AI 25 79 ? -12.278 35.108 -51.216 1.00 68.66 ? 86 GLU u OE2 1 ? ? +46984 ATOM C C . GLU AI 25 79 ? -10.541 35.070 -45.896 1.00 62.84 ? 86 GLU u C 1 ? ? +46985 ATOM O O . GLU AI 25 79 ? -9.582 34.888 -45.149 1.00 62.34 ? 86 GLU u O 1 ? ? +46986 ATOM N N . VAL AI 25 80 ? -11.818 34.912 -45.510 1.00 62.80 ? 87 VAL u N 1 ? ? +46987 ATOM C CA . VAL AI 25 80 ? -12.170 34.354 -44.216 1.00 62.11 ? 87 VAL u CA 1 ? ? +46988 ATOM C CB . VAL AI 25 80 ? -13.690 34.188 -44.028 1.00 62.34 ? 87 VAL u CB 1 ? ? +46989 ATOM C CG1 . VAL AI 25 80 ? -14.008 33.337 -42.807 1.00 61.71 ? 87 VAL u CG1 1 ? ? +46990 ATOM C CG2 . VAL AI 25 80 ? -14.390 35.529 -43.932 1.00 63.23 ? 87 VAL u CG2 1 ? ? +46991 ATOM C C . VAL AI 25 80 ? -11.487 33.000 -44.048 1.00 61.29 ? 87 VAL u C 1 ? ? +46992 ATOM O O . VAL AI 25 80 ? -11.630 32.118 -44.892 1.00 61.05 ? 87 VAL u O 1 ? ? +46993 ATOM N N . GLU AI 25 81 ? -10.733 32.864 -42.951 1.00 60.86 ? 88 GLU u N 1 ? ? +46994 ATOM C CA . GLU AI 25 81 ? -10.130 31.605 -42.570 1.00 60.26 ? 88 GLU u CA 1 ? ? +46995 ATOM C CB . GLU AI 25 81 ? -8.668 31.796 -42.174 1.00 60.03 ? 88 GLU u CB 1 ? ? +46996 ATOM C CG . GLU AI 25 81 ? -8.022 30.534 -41.666 1.00 59.34 ? 88 GLU u CG 1 ? ? +46997 ATOM C CD . GLU AI 25 81 ? -8.259 29.329 -42.540 1.00 59.23 ? 88 GLU u CD 1 ? ? +46998 ATOM O OE1 . GLU AI 25 81 ? -7.815 29.352 -43.718 1.00 59.46 ? 88 GLU u OE1 1 ? ? +46999 ATOM O OE2 . GLU AI 25 81 ? -8.899 28.367 -42.042 1.00 58.97 ? 88 GLU u OE2 1 ? ? +47000 ATOM C C . GLU AI 25 81 ? -10.941 31.020 -41.423 1.00 60.07 ? 88 GLU u C 1 ? ? +47001 ATOM O O . GLU AI 25 81 ? -10.990 31.599 -40.341 1.00 60.17 ? 88 GLU u O 1 ? ? +47002 ATOM N N . THR AI 25 82 ? -11.563 29.864 -41.689 1.00 59.88 ? 89 THR u N 1 ? ? +47003 ATOM C CA . THR AI 25 82 ? -12.473 29.210 -40.763 1.00 59.53 ? 89 THR u CA 1 ? ? +47004 ATOM C CB . THR AI 25 82 ? -12.887 27.845 -41.328 1.00 59.36 ? 89 THR u CB 1 ? ? +47005 ATOM O OG1 . THR AI 25 82 ? -13.258 27.961 -42.691 1.00 59.98 ? 89 THR u OG1 1 ? ? +47006 ATOM C CG2 . THR AI 25 82 ? -14.007 27.259 -40.572 1.00 59.43 ? 89 THR u CG2 1 ? ? +47007 ATOM C C . THR AI 25 82 ? -11.850 29.005 -39.384 1.00 58.77 ? 89 THR u C 1 ? ? +47008 ATOM O O . THR AI 25 82 ? -12.509 29.185 -38.362 1.00 58.91 ? 89 THR u O 1 ? ? +47009 ATOM N N . ALA AI 25 83 ? -10.565 28.631 -39.368 1.00 57.89 ? 90 ALA u N 1 ? ? +47010 ATOM C CA . ALA AI 25 83 ? -9.878 28.314 -38.129 1.00 57.09 ? 90 ALA u CA 1 ? ? +47011 ATOM C CB . ALA AI 25 83 ? -8.517 27.699 -38.426 1.00 56.52 ? 90 ALA u CB 1 ? ? +47012 ATOM C C . ALA AI 25 83 ? -9.723 29.512 -37.197 1.00 57.23 ? 90 ALA u C 1 ? ? +47013 ATOM O O . ALA AI 25 83 ? -9.592 29.327 -35.988 1.00 57.12 ? 90 ALA u O 1 ? ? +47014 ATOM N N . LEU AI 25 84 ? -9.737 30.730 -37.752 1.00 57.60 ? 91 LEU u N 1 ? ? +47015 ATOM C CA . LEU AI 25 84 ? -9.558 31.933 -36.954 1.00 57.73 ? 91 LEU u CA 1 ? ? +47016 ATOM C CB . LEU AI 25 84 ? -8.765 32.970 -37.753 1.00 58.11 ? 91 LEU u CB 1 ? ? +47017 ATOM C CG . LEU AI 25 84 ? -7.275 32.665 -38.028 1.00 57.58 ? 91 LEU u CG 1 ? ? +47018 ATOM C CD1 . LEU AI 25 84 ? -6.634 33.783 -38.814 1.00 58.08 ? 91 LEU u CD1 1 ? ? +47019 ATOM C CD2 . LEU AI 25 84 ? -6.512 32.468 -36.772 1.00 57.07 ? 91 LEU u CD2 1 ? ? +47020 ATOM C C . LEU AI 25 84 ? -10.881 32.552 -36.499 1.00 58.23 ? 91 LEU u C 1 ? ? +47021 ATOM O O . LEU AI 25 84 ? -10.898 33.308 -35.532 1.00 58.52 ? 91 LEU u O 1 ? ? +47022 ATOM N N . VAL AI 25 85 ? -11.986 32.229 -37.184 1.00 58.29 ? 92 VAL u N 1 ? ? +47023 ATOM C CA . VAL AI 25 85 ? -13.263 32.863 -36.906 1.00 58.83 ? 92 VAL u CA 1 ? ? +47024 ATOM C CB . VAL AI 25 85 ? -13.914 33.431 -38.197 1.00 59.55 ? 92 VAL u CB 1 ? ? +47025 ATOM C CG1 . VAL AI 25 85 ? -12.988 34.415 -38.879 1.00 59.94 ? 92 VAL u CG1 1 ? ? +47026 ATOM C CG2 . VAL AI 25 85 ? -14.332 32.339 -39.175 1.00 59.37 ? 92 VAL u CG2 1 ? ? +47027 ATOM C C . VAL AI 25 85 ? -14.251 31.959 -36.172 1.00 58.52 ? 92 VAL u C 1 ? ? +47028 ATOM O O . VAL AI 25 85 ? -15.219 32.461 -35.603 1.00 58.99 ? 92 VAL u O 1 ? ? +47029 ATOM N N . GLU AI 25 86 ? -14.018 30.640 -36.207 1.00 57.74 ? 93 GLU u N 1 ? ? +47030 ATOM C CA . GLU AI 25 86 ? -14.842 29.704 -35.460 1.00 57.33 ? 93 GLU u CA 1 ? ? +47031 ATOM C CB . GLU AI 25 86 ? -14.645 28.255 -35.941 1.00 56.77 ? 93 GLU u CB 1 ? ? +47032 ATOM C CG . GLU AI 25 86 ? -15.345 27.951 -37.255 1.00 57.17 ? 93 GLU u CG 1 ? ? +47033 ATOM C CD . GLU AI 25 86 ? -16.851 28.038 -37.219 1.00 57.75 ? 93 GLU u CD 1 ? ? +47034 ATOM O OE1 . GLU AI 25 86 ? -17.448 27.882 -36.132 1.00 57.75 ? 93 GLU u OE1 1 ? ? +47035 ATOM O OE2 . GLU AI 25 86 ? -17.428 28.334 -38.285 1.00 58.47 ? 93 GLU u OE2 1 ? ? +47036 ATOM C C . GLU AI 25 86 ? -14.519 29.824 -33.977 1.00 56.91 ? 93 GLU u C 1 ? ? +47037 ATOM O O . GLU AI 25 86 ? -13.554 30.482 -33.591 1.00 56.86 ? 93 GLU u O 1 ? ? +47038 ATOM N N . GLY AI 25 87 ? -15.368 29.209 -33.150 1.00 56.58 ? 94 GLY u N 1 ? ? +47039 ATOM C CA . GLY AI 25 87 ? -15.213 29.253 -31.706 1.00 56.11 ? 94 GLY u CA 1 ? ? +47040 ATOM C C . GLY AI 25 87 ? -15.436 30.619 -31.064 1.00 56.44 ? 94 GLY u C 1 ? ? +47041 ATOM O O . GLY AI 25 87 ? -15.177 30.799 -29.885 1.00 56.21 ? 94 GLY u O 1 ? ? +47042 ATOM N N . GLY AI 25 88 ? -15.942 31.580 -31.831 1.00 57.00 ? 95 GLY u N 1 ? ? +47043 ATOM C CA . GLY AI 25 88 ? -16.020 32.955 -31.373 1.00 57.53 ? 95 GLY u CA 1 ? ? +47044 ATOM C C . GLY AI 25 88 ? -14.640 33.527 -31.076 1.00 57.24 ? 95 GLY u C 1 ? ? +47045 ATOM O O . GLY AI 25 88 ? -14.504 34.432 -30.260 1.00 57.51 ? 95 GLY u O 1 ? ? +47046 ATOM N N . ASP AI 25 89 ? -13.625 33.006 -31.773 1.00 56.73 ? 96 ASP u N 1 ? ? +47047 ATOM C CA . ASP AI 25 89 ? -12.241 33.310 -31.455 1.00 56.39 ? 96 ASP u CA 1 ? ? +47048 ATOM C CB . ASP AI 25 89 ? -11.275 32.301 -32.126 1.00 55.71 ? 96 ASP u CB 1 ? ? +47049 ATOM C CG . ASP AI 25 89 ? -11.165 30.986 -31.399 1.00 54.98 ? 96 ASP u CG 1 ? ? +47050 ATOM O OD1 . ASP AI 25 89 ? -11.826 30.832 -30.344 1.00 54.99 ? 96 ASP u OD1 1 ? ? +47051 ATOM O OD2 . ASP AI 25 89 ? -10.421 30.110 -31.876 1.00 54.48 ? 96 ASP u OD2 1 ? ? +47052 ATOM C C . ASP AI 25 89 ? -11.845 34.740 -31.813 1.00 56.97 ? 96 ASP u C 1 ? ? +47053 ATOM O O . ASP AI 25 89 ? -10.848 35.229 -31.298 1.00 56.96 ? 96 ASP u O 1 ? ? +47054 ATOM N N . ARG AI 25 90 ? -12.625 35.422 -32.664 1.00 57.54 ? 97 ARG u N 1 ? ? +47055 ATOM C CA . ARG AI 25 90 ? -12.365 36.824 -32.941 1.00 58.10 ? 97 ARG u CA 1 ? ? +47056 ATOM C CB . ARG AI 25 90 ? -13.123 37.327 -34.161 1.00 58.71 ? 97 ARG u CB 1 ? ? +47057 ATOM C CG . ARG AI 25 90 ? -12.668 36.710 -35.451 1.00 58.49 ? 97 ARG u CG 1 ? ? +47058 ATOM C CD . ARG AI 25 90 ? -13.102 37.502 -36.632 1.00 59.25 ? 97 ARG u CD 1 ? ? +47059 ATOM N NE . ARG AI 25 90 ? -12.433 38.792 -36.699 1.00 59.77 ? 97 ARG u NE 1 ? ? +47060 ATOM C CZ . ARG AI 25 90 ? -12.746 39.759 -37.549 1.00 60.63 ? 97 ARG u CZ 1 ? ? +47061 ATOM N NH1 . ARG AI 25 90 ? -13.818 39.685 -38.325 1.00 61.13 ? 97 ARG u NH1 1 ? ? +47062 ATOM N NH2 . ARG AI 25 90 ? -11.979 40.843 -37.604 1.00 61.05 ? 97 ARG u NH2 1 ? ? +47063 ATOM C C . ARG AI 25 90 ? -12.706 37.708 -31.750 1.00 58.48 ? 97 ARG u C 1 ? ? +47064 ATOM O O . ARG AI 25 90 ? -12.308 38.866 -31.729 1.00 59.05 ? 97 ARG u O 1 ? ? +47065 ATOM N N . TYR AI 25 91 ? -13.462 37.168 -30.786 1.00 58.29 ? 98 TYR u N 1 ? ? +47066 ATOM C CA . TYR AI 25 91 ? -13.811 37.898 -29.577 1.00 58.61 ? 98 TYR u CA 1 ? ? +47067 ATOM C CB . TYR AI 25 91 ? -15.293 37.657 -29.212 1.00 58.87 ? 98 TYR u CB 1 ? ? +47068 ATOM C CG . TYR AI 25 91 ? -16.238 38.159 -30.268 1.00 59.51 ? 98 TYR u CG 1 ? ? +47069 ATOM C CD1 . TYR AI 25 91 ? -16.550 39.508 -30.365 1.00 60.32 ? 98 TYR u CD1 1 ? ? +47070 ATOM C CD2 . TYR AI 25 91 ? -16.788 37.297 -31.201 1.00 59.39 ? 98 TYR u CD2 1 ? ? +47071 ATOM C CE1 . TYR AI 25 91 ? -17.412 39.980 -31.349 1.00 60.97 ? 98 TYR u CE1 1 ? ? +47072 ATOM C CE2 . TYR AI 25 91 ? -17.640 37.760 -32.198 1.00 60.05 ? 98 TYR u CE2 1 ? ? +47073 ATOM C CZ . TYR AI 25 91 ? -17.950 39.100 -32.266 1.00 60.84 ? 98 TYR u CZ 1 ? ? +47074 ATOM O OH . TYR AI 25 91 ? -18.795 39.545 -33.246 1.00 61.60 ? 98 TYR u OH 1 ? ? +47075 ATOM C C . TYR AI 25 91 ? -12.915 37.526 -28.400 1.00 58.03 ? 98 TYR u C 1 ? ? +47076 ATOM O O . TYR AI 25 91 ? -12.685 38.330 -27.506 1.00 58.29 ? 98 TYR u O 1 ? ? +47077 ATOM N N . ASN AI 25 92 ? -12.438 36.285 -28.396 1.00 57.34 ? 99 ASN u N 1 ? ? +47078 ATOM C CA . ASN AI 25 92 ? -11.609 35.779 -27.320 1.00 56.85 ? 99 ASN u CA 1 ? ? +47079 ATOM C CB . ASN AI 25 92 ? -12.448 35.399 -26.100 1.00 56.75 ? 99 ASN u CB 1 ? ? +47080 ATOM C CG . ASN AI 25 92 ? -11.624 34.995 -24.919 1.00 56.21 ? 99 ASN u CG 1 ? ? +47081 ATOM O OD1 . ASN AI 25 92 ? -10.572 34.366 -25.044 1.00 55.70 ? 99 ASN u OD1 1 ? ? +47082 ATOM N ND2 . ASN AI 25 92 ? -12.056 35.380 -23.747 1.00 56.39 ? 99 ASN u ND2 1 ? ? +47083 ATOM C C . ASN AI 25 92 ? -10.871 34.572 -27.876 1.00 56.24 ? 99 ASN u C 1 ? ? +47084 ATOM O O . ASN AI 25 92 ? -11.485 33.540 -28.113 1.00 55.92 ? 99 ASN u O 1 ? ? +47085 ATOM N N . ASN AI 25 93 ? -9.560 34.713 -28.094 1.00 56.20 ? 100 ASN u N 1 ? ? +47086 ATOM C CA . ASN AI 25 93 ? -8.785 33.674 -28.758 1.00 55.77 ? 100 ASN u CA 1 ? ? +47087 ATOM C CB . ASN AI 25 93 ? -7.968 34.274 -29.891 1.00 56.00 ? 100 ASN u CB 1 ? ? +47088 ATOM C CG . ASN AI 25 93 ? -6.956 35.287 -29.458 1.00 56.19 ? 100 ASN u CG 1 ? ? +47089 ATOM O OD1 . ASN AI 25 93 ? -6.744 35.520 -28.289 1.00 56.13 ? 100 ASN u OD1 1 ? ? +47090 ATOM N ND2 . ASN AI 25 93 ? -6.313 35.911 -30.409 1.00 56.50 ? 100 ASN u ND2 1 ? ? +47091 ATOM C C . ASN AI 25 93 ? -7.881 32.896 -27.810 1.00 55.30 ? 100 ASN u C 1 ? ? +47092 ATOM O O . ASN AI 25 93 ? -6.923 32.262 -28.234 1.00 54.85 ? 100 ASN u O 1 ? ? +47093 ATOM N N A GLY AI 25 94 ? -8.175 32.973 -26.510 0.40 55.39 ? 101 GLY u N 1 ? ? +47094 ATOM N N B GLY AI 25 94 ? -8.216 32.942 -26.520 0.60 55.44 ? 101 GLY u N 1 ? ? +47095 ATOM C CA A GLY AI 25 94 ? -7.451 32.208 -25.512 0.40 54.91 ? 101 GLY u CA 1 ? ? +47096 ATOM C CA B GLY AI 25 94 ? -7.483 32.197 -25.514 0.60 54.98 ? 101 GLY u CA 1 ? ? +47097 ATOM C C A GLY AI 25 94 ? -6.178 32.888 -25.022 0.40 55.01 ? 101 GLY u C 1 ? ? +47098 ATOM C C B GLY AI 25 94 ? -6.183 32.861 -25.084 0.60 55.12 ? 101 GLY u C 1 ? ? +47099 ATOM O O A GLY AI 25 94 ? -5.515 32.379 -24.123 0.40 54.63 ? 101 GLY u O 1 ? ? +47100 ATOM O O B GLY AI 25 94 ? -5.428 32.273 -24.317 0.60 54.68 ? 101 GLY u O 1 ? ? +47101 ATOM N N A LEU AI 25 95 ? -5.847 34.038 -25.617 0.40 55.67 ? 102 LEU u N 1 ? ? +47102 ATOM N N B LEU AI 25 95 ? -5.941 34.085 -25.571 0.60 55.88 ? 102 LEU u N 1 ? ? +47103 ATOM C CA A LEU AI 25 95 ? -4.648 34.776 -25.258 0.40 55.89 ? 102 LEU u CA 1 ? ? +47104 ATOM C CA B LEU AI 25 95 ? -4.742 34.835 -25.234 0.60 56.15 ? 102 LEU u CA 1 ? ? +47105 ATOM C C A LEU AI 25 95 ? -5.004 35.977 -24.396 0.40 56.49 ? 102 LEU u C 1 ? ? +47106 ATOM C C B LEU AI 25 95 ? -5.087 36.017 -24.337 0.60 56.75 ? 102 LEU u C 1 ? ? +47107 ATOM O O A LEU AI 25 95 ? -5.801 36.812 -24.802 0.40 57.06 ? 102 LEU u O 1 ? ? +47108 ATOM O O B LEU AI 25 95 ? -5.956 36.814 -24.665 0.60 57.34 ? 102 LEU u O 1 ? ? +47109 ATOM C CB A LEU AI 25 95 ? -3.917 35.290 -26.492 0.40 56.14 ? 102 LEU u CB 1 ? ? +47110 ATOM C CB B LEU AI 25 95 ? -4.033 35.349 -26.487 0.60 56.44 ? 102 LEU u CB 1 ? ? +47111 ATOM C CG A LEU AI 25 95 ? -2.993 34.311 -27.149 0.40 55.66 ? 102 LEU u CG 1 ? ? +47112 ATOM C CG B LEU AI 25 95 ? -3.098 34.374 -27.142 0.60 55.98 ? 102 LEU u CG 1 ? ? +47113 ATOM C CD1 A LEU AI 25 95 ? -3.762 33.189 -27.781 0.40 55.34 ? 102 LEU u CD1 1 ? ? +47114 ATOM C CD1 B LEU AI 25 95 ? -3.847 33.225 -27.785 0.60 55.66 ? 102 LEU u CD1 1 ? ? +47115 ATOM C CD2 A LEU AI 25 95 ? -2.117 35.008 -28.175 0.40 55.99 ? 102 LEU u CD2 1 ? ? +47116 ATOM C CD2 B LEU AI 25 95 ? -2.229 35.084 -28.176 0.60 56.35 ? 102 LEU u CD2 1 ? ? +47117 ATOM N N A TYR AI 25 96 ? -4.404 36.038 -23.210 0.40 56.45 ? 103 TYR u N 1 ? ? +47118 ATOM N N B TYR AI 25 96 ? -4.396 36.089 -23.199 0.60 56.72 ? 103 TYR u N 1 ? ? +47119 ATOM C CA A TYR AI 25 96 ? -4.531 37.189 -22.337 0.40 57.06 ? 103 TYR u CA 1 ? ? +47120 ATOM C CA B TYR AI 25 96 ? -4.456 37.216 -22.289 0.60 57.33 ? 103 TYR u CA 1 ? ? +47121 ATOM C C A TYR AI 25 96 ? -3.156 37.847 -22.300 0.40 57.37 ? 103 TYR u C 1 ? ? +47122 ATOM C C B TYR AI 25 96 ? -3.010 37.700 -22.202 0.60 57.67 ? 103 TYR u C 1 ? ? +47123 ATOM O O A TYR AI 25 96 ? -2.643 38.231 -23.348 0.40 57.67 ? 103 TYR u O 1 ? ? +47124 ATOM O O B TYR AI 25 96 ? -2.317 37.714 -23.216 0.60 57.84 ? 103 TYR u O 1 ? ? +47125 ATOM C CB A TYR AI 25 96 ? -5.060 36.737 -20.976 0.40 56.79 ? 103 TYR u CB 1 ? ? +47126 ATOM C CB B TYR AI 25 96 ? -5.067 36.759 -20.965 0.60 57.00 ? 103 TYR u CB 1 ? ? +47127 ATOM C CG A TYR AI 25 96 ? -6.434 36.107 -21.077 0.40 56.63 ? 103 TYR u CG 1 ? ? +47128 ATOM C CG B TYR AI 25 96 ? -6.423 36.112 -21.140 0.60 56.75 ? 103 TYR u CG 1 ? ? +47129 ATOM C CD1 A TYR AI 25 96 ? -7.573 36.890 -21.204 0.40 57.16 ? 103 TYR u CD1 1 ? ? +47130 ATOM C CD1 B TYR AI 25 96 ? -7.573 36.882 -21.252 0.60 57.24 ? 103 TYR u CD1 1 ? ? +47131 ATOM C CD2 A TYR AI 25 96 ? -6.590 34.728 -21.085 0.40 55.96 ? 103 TYR u CD2 1 ? ? +47132 ATOM C CD2 B TYR AI 25 96 ? -6.551 34.734 -21.234 0.60 56.02 ? 103 TYR u CD2 1 ? ? +47133 ATOM C CE1 A TYR AI 25 96 ? -8.835 36.319 -21.311 0.40 57.13 ? 103 TYR u CE1 1 ? ? +47134 ATOM C CE1 B TYR AI 25 96 ? -8.822 36.294 -21.417 0.60 57.16 ? 103 TYR u CE1 1 ? ? +47135 ATOM C CE2 A TYR AI 25 96 ? -7.848 34.145 -21.196 0.40 55.93 ? 103 TYR u CE2 1 ? ? +47136 ATOM C CE2 B TYR AI 25 96 ? -7.793 34.136 -21.411 0.60 55.95 ? 103 TYR u CE2 1 ? ? +47137 ATOM C CZ A TYR AI 25 96 ? -8.970 34.945 -21.303 0.40 56.51 ? 103 TYR u CZ 1 ? ? +47138 ATOM C CZ B TYR AI 25 96 ? -8.928 34.921 -21.500 0.60 56.52 ? 103 TYR u CZ 1 ? ? +47139 ATOM O OH A TYR AI 25 96 ? -10.219 34.379 -21.411 0.40 56.48 ? 103 TYR u OH 1 ? ? +47140 ATOM O OH B TYR AI 25 96 ? -10.159 34.341 -21.659 0.60 56.46 ? 103 TYR u OH 1 ? ? +47141 ATOM N N A LYS AI 25 97 ? -2.563 37.963 -21.109 0.40 57.47 ? 104 LYS u N 1 ? ? +47142 ATOM N N B LYS AI 25 97 ? -2.536 38.071 -21.010 0.60 58.00 ? 104 LYS u N 1 ? ? +47143 ATOM C CA A LYS AI 25 97 ? -1.170 38.360 -20.999 0.40 57.60 ? 104 LYS u CA 1 ? ? +47144 ATOM C CA B LYS AI 25 97 ? -1.130 38.393 -20.843 0.60 58.17 ? 104 LYS u CA 1 ? ? +47145 ATOM C C A LYS AI 25 97 ? -0.326 37.098 -20.851 0.40 57.00 ? 104 LYS u C 1 ? ? +47146 ATOM C C B LYS AI 25 97 ? -0.353 37.105 -20.585 0.60 57.63 ? 104 LYS u C 1 ? ? +47147 ATOM O O A LYS AI 25 97 ? -0.861 35.990 -20.975 0.40 56.55 ? 104 LYS u O 1 ? ? +47148 ATOM O O B LYS AI 25 97 ? -0.741 36.319 -19.719 0.60 57.32 ? 104 LYS u O 1 ? ? +47149 ATOM C CB A LYS AI 25 97 ? -0.949 39.310 -19.815 0.40 58.08 ? 104 LYS u CB 1 ? ? +47150 ATOM C CB B LYS AI 25 97 ? -0.934 39.385 -19.698 0.60 58.71 ? 104 LYS u CB 1 ? ? +47151 ATOM C CG A LYS AI 25 97 ? -1.449 40.731 -20.041 0.40 58.89 ? 104 LYS u CG 1 ? ? +47152 ATOM C CG B LYS AI 25 97 ? -1.423 40.789 -20.001 0.60 59.55 ? 104 LYS u CG 1 ? ? +47153 ATOM C CD A LYS AI 25 97 ? -0.566 41.526 -20.992 0.40 59.25 ? 104 LYS u CD 1 ? ? +47154 ATOM C CD B LYS AI 25 97 ? -0.482 41.551 -20.912 0.60 59.91 ? 104 LYS u CD 1 ? ? +47155 ATOM C CE A LYS AI 25 97 ? -0.982 42.973 -21.075 0.40 60.09 ? 104 LYS u CE 1 ? ? +47156 ATOM C CE B LYS AI 25 97 ? -0.883 42.994 -21.050 0.60 60.75 ? 104 LYS u CE 1 ? ? +47157 ATOM N NZ A LYS AI 25 97 ? -0.027 43.775 -21.877 0.40 60.49 ? 104 LYS u NZ 1 ? ? +47158 ATOM N NZ B LYS AI 25 97 ? 0.115 43.765 -21.827 0.60 61.15 ? 104 LYS u NZ 1 ? ? +47159 ATOM O OXT A LYS AI 25 97 ? 0.887 37.173 -20.606 0.40 57.04 ? 104 LYS u OXT 1 ? ? +47160 ATOM O OXT B LYS AI 25 97 ? 0.662 36.842 -21.243 0.60 57.61 ? 104 LYS u OXT 1 ? ? +47161 ATOM N N . ALA AJ 16 1 ? 22.247 52.520 -9.151 1.00 75.81 ? 1 ALA v N 1 ? ? +47162 ATOM C CA . ALA AJ 16 1 ? 21.081 53.218 -9.673 1.00 75.89 ? 1 ALA v CA 1 ? ? +47163 ATOM C CB . ALA AJ 16 1 ? 20.248 52.286 -10.531 1.00 75.19 ? 1 ALA v CB 1 ? ? +47164 ATOM C C . ALA AJ 16 1 ? 20.249 53.774 -8.522 1.00 76.24 ? 1 ALA v C 1 ? ? +47165 ATOM O O . ALA AJ 16 1 ? 20.106 53.129 -7.485 1.00 75.47 ? 1 ALA v O 1 ? ? +47166 ATOM N N . GLU AJ 16 2 ? 19.718 54.983 -8.726 1.00 77.39 ? 2 GLU v N 1 ? ? +47167 ATOM C CA . GLU AJ 16 2 ? 18.937 55.678 -7.720 1.00 78.21 ? 2 GLU v CA 1 ? ? +47168 ATOM C CB . GLU AJ 16 2 ? 19.773 56.800 -7.095 1.00 80.44 ? 2 GLU v CB 1 ? ? +47169 ATOM C CG . GLU AJ 16 2 ? 20.238 56.497 -5.686 1.00 81.71 ? 2 GLU v CG 1 ? ? +47170 ATOM C CD . GLU AJ 16 2 ? 21.362 57.391 -5.193 1.00 83.99 ? 2 GLU v CD 1 ? ? +47171 ATOM O OE1 . GLU AJ 16 2 ? 21.900 58.186 -6.002 1.00 84.86 ? 2 GLU v OE1 1 ? ? +47172 ATOM O OE2 . GLU AJ 16 2 ? 21.703 57.297 -3.990 1.00 85.49 ? 2 GLU v OE2 1 ? ? +47173 ATOM C C . GLU AJ 16 2 ? 17.648 56.241 -8.310 1.00 77.59 ? 2 GLU v C 1 ? ? +47174 ATOM O O . GLU AJ 16 2 ? 17.503 56.372 -9.524 1.00 77.12 ? 2 GLU v O 1 ? ? +47175 ATOM N N . LEU AJ 16 3 ? 16.712 56.560 -7.415 1.00 77.21 ? 3 LEU v N 1 ? ? +47176 ATOM C CA . LEU AJ 16 3 ? 15.476 57.220 -7.783 1.00 77.06 ? 3 LEU v CA 1 ? ? +47177 ATOM C CB . LEU AJ 16 3 ? 14.394 56.860 -6.766 1.00 76.31 ? 3 LEU v CB 1 ? ? +47178 ATOM C CG . LEU AJ 16 3 ? 13.001 57.212 -7.166 1.00 76.08 ? 3 LEU v CG 1 ? ? +47179 ATOM C CD1 . LEU AJ 16 3 ? 12.569 56.415 -8.349 1.00 75.26 ? 3 LEU v CD1 1 ? ? +47180 ATOM C CD2 . LEU AJ 16 3 ? 12.044 56.997 -6.013 1.00 75.96 ? 3 LEU v CD2 1 ? ? +47181 ATOM C C . LEU AJ 16 3 ? 15.765 58.718 -7.835 1.00 78.42 ? 3 LEU v C 1 ? ? +47182 ATOM O O . LEU AJ 16 3 ? 15.666 59.410 -6.824 1.00 78.90 ? 3 LEU v O 1 ? ? +47183 ATOM N N . THR AJ 16 4 ? 16.157 59.197 -9.024 1.00 79.13 ? 4 THR v N 1 ? ? +47184 ATOM C CA . THR AJ 16 4 ? 16.619 60.563 -9.202 1.00 80.43 ? 4 THR v CA 1 ? ? +47185 ATOM C CB . THR AJ 16 4 ? 17.692 60.605 -10.282 1.00 80.51 ? 4 THR v CB 1 ? ? +47186 ATOM O OG1 . THR AJ 16 4 ? 17.104 60.287 -11.542 1.00 80.25 ? 4 THR v OG1 1 ? ? +47187 ATOM C CG2 . THR AJ 16 4 ? 18.835 59.653 -9.998 1.00 80.06 ? 4 THR v CG2 1 ? ? +47188 ATOM C C . THR AJ 16 4 ? 15.460 61.491 -9.553 1.00 81.69 ? 4 THR v C 1 ? ? +47189 ATOM O O . THR AJ 16 4 ? 14.369 61.019 -9.872 1.00 82.03 ? 4 THR v O 1 ? ? +47190 ATOM N N . PRO AJ 16 5 ? 15.640 62.833 -9.487 1.00 83.20 ? 5 PRO v N 1 ? ? +47191 ATOM C CA . PRO AJ 16 5 ? 14.615 63.764 -9.968 1.00 83.91 ? 5 PRO v CA 1 ? ? +47192 ATOM C CB . PRO AJ 16 5 ? 15.243 65.140 -9.695 1.00 84.93 ? 5 PRO v CB 1 ? ? +47193 ATOM C CG . PRO AJ 16 5 ? 16.273 64.889 -8.608 1.00 84.84 ? 5 PRO v CG 1 ? ? +47194 ATOM C CD . PRO AJ 16 5 ? 16.806 63.523 -8.904 1.00 83.93 ? 5 PRO v CD 1 ? ? +47195 ATOM C C . PRO AJ 16 5 ? 14.247 63.578 -11.442 1.00 83.84 ? 5 PRO v C 1 ? ? +47196 ATOM O O . PRO AJ 16 5 ? 13.102 63.809 -11.829 1.00 83.61 ? 5 PRO v O 1 ? ? +47197 ATOM N N . GLU AJ 16 6 ? 15.219 63.142 -12.256 1.00 84.07 ? 6 GLU v N 1 ? ? +47198 ATOM C CA . GLU AJ 16 6 ? 14.992 62.902 -13.673 1.00 84.21 ? 6 GLU v CA 1 ? ? +47199 ATOM C CB . GLU AJ 16 6 ? 16.281 62.475 -14.393 1.00 85.03 ? 6 GLU v CB 1 ? ? +47200 ATOM C CG . GLU AJ 16 6 ? 17.384 63.529 -14.385 1.00 87.35 ? 6 GLU v CG 1 ? ? +47201 ATOM C CD . GLU AJ 16 6 ? 18.152 63.684 -13.079 1.00 88.82 ? 6 GLU v CD 1 ? ? +47202 ATOM O OE1 . GLU AJ 16 6 ? 18.807 62.703 -12.658 1.00 89.70 ? 6 GLU v OE1 1 ? ? +47203 ATOM O OE2 . GLU AJ 16 6 ? 18.101 64.781 -12.474 1.00 90.03 ? 6 GLU v OE2 1 ? ? +47204 ATOM C C . GLU AJ 16 6 ? 13.922 61.826 -13.847 1.00 82.69 ? 6 GLU v C 1 ? ? +47205 ATOM O O . GLU AJ 16 6 ? 12.969 62.000 -14.601 1.00 82.96 ? 6 GLU v O 1 ? ? +47206 ATOM N N . VAL AJ 16 7 ? 14.094 60.712 -13.129 1.00 80.95 ? 7 VAL v N 1 ? ? +47207 ATOM C CA . VAL AJ 16 7 ? 13.147 59.613 -13.159 1.00 79.08 ? 7 VAL v CA 1 ? ? +47208 ATOM C CB . VAL AJ 16 7 ? 13.706 58.421 -12.359 1.00 78.18 ? 7 VAL v CB 1 ? ? +47209 ATOM C CG1 . VAL AJ 16 7 ? 12.628 57.380 -12.044 1.00 77.27 ? 7 VAL v CG1 1 ? ? +47210 ATOM C CG2 . VAL AJ 16 7 ? 14.881 57.797 -13.108 1.00 77.92 ? 7 VAL v CG2 1 ? ? +47211 ATOM C C . VAL AJ 16 7 ? 11.776 60.053 -12.659 1.00 78.42 ? 7 VAL v C 1 ? ? +47212 ATOM O O . VAL AJ 16 7 ? 10.763 59.621 -13.196 1.00 78.36 ? 7 VAL v O 1 ? ? +47213 ATOM N N . LEU AJ 16 8 ? 11.757 60.913 -11.637 1.00 78.19 ? 8 LEU v N 1 ? ? +47214 ATOM C CA . LEU AJ 16 8 ? 10.516 61.366 -11.022 1.00 77.82 ? 8 LEU v CA 1 ? ? +47215 ATOM C CB . LEU AJ 16 8 ? 10.796 61.789 -9.561 1.00 78.06 ? 8 LEU v CB 1 ? ? +47216 ATOM C CG . LEU AJ 16 8 ? 11.167 60.683 -8.583 1.00 77.14 ? 8 LEU v CG 1 ? ? +47217 ATOM C CD1 . LEU AJ 16 8 ? 11.378 61.237 -7.203 1.00 77.66 ? 8 LEU v CD1 1 ? ? +47218 ATOM C CD2 . LEU AJ 16 8 ? 10.098 59.607 -8.524 1.00 76.24 ? 8 LEU v CD2 1 ? ? +47219 ATOM C C . LEU AJ 16 8 ? 9.846 62.537 -11.740 1.00 78.01 ? 8 LEU v C 1 ? ? +47220 ATOM O O . LEU AJ 16 8 ? 8.869 63.078 -11.234 1.00 77.90 ? 8 LEU v O 1 ? ? +47221 ATOM N N . THR AJ 16 9 ? 10.386 62.935 -12.901 1.00 78.16 ? 9 THR v N 1 ? ? +47222 ATOM C CA . THR AJ 16 9 ? 9.794 63.987 -13.709 1.00 78.80 ? 9 THR v CA 1 ? ? +47223 ATOM C CB . THR AJ 16 9 ? 10.880 64.878 -14.310 1.00 79.68 ? 9 THR v CB 1 ? ? +47224 ATOM O OG1 . THR AJ 16 9 ? 11.672 65.376 -13.240 1.00 80.34 ? 9 THR v OG1 1 ? ? +47225 ATOM C CG2 . THR AJ 16 9 ? 10.312 66.048 -15.116 1.00 80.48 ? 9 THR v CG2 1 ? ? +47226 ATOM C C . THR AJ 16 9 ? 8.910 63.350 -14.776 1.00 78.12 ? 9 THR v C 1 ? ? +47227 ATOM O O . THR AJ 16 9 ? 9.388 62.561 -15.582 1.00 77.33 ? 9 THR v O 1 ? ? +47228 ATOM N N . VAL AJ 16 10 ? 7.623 63.713 -14.771 1.00 78.27 ? 10 VAL v N 1 ? ? +47229 ATOM C CA . VAL AJ 16 10 ? 6.640 63.094 -15.644 1.00 77.74 ? 10 VAL v CA 1 ? ? +47230 ATOM C CB . VAL AJ 16 10 ? 5.767 62.085 -14.870 1.00 76.82 ? 10 VAL v CB 1 ? ? +47231 ATOM C CG1 . VAL AJ 16 10 ? 6.580 60.862 -14.460 1.00 75.99 ? 10 VAL v CG1 1 ? ? +47232 ATOM C CG2 . VAL AJ 16 10 ? 5.089 62.742 -13.662 1.00 77.21 ? 10 VAL v CG2 1 ? ? +47233 ATOM C C . VAL AJ 16 10 ? 5.787 64.172 -16.299 1.00 78.76 ? 10 VAL v C 1 ? ? +47234 ATOM O O . VAL AJ 16 10 ? 5.745 65.303 -15.822 1.00 79.87 ? 10 VAL v O 1 ? ? +47235 ATOM N N . PRO AJ 16 11 ? 5.091 63.865 -17.416 1.00 78.66 ? 11 PRO v N 1 ? ? +47236 ATOM C CA . PRO AJ 16 11 ? 4.155 64.817 -18.016 1.00 79.59 ? 11 PRO v CA 1 ? ? +47237 ATOM C CB . PRO AJ 16 11 ? 3.686 64.090 -19.282 1.00 78.97 ? 11 PRO v CB 1 ? ? +47238 ATOM C CG . PRO AJ 16 11 ? 4.677 62.987 -19.509 1.00 78.06 ? 11 PRO v CG 1 ? ? +47239 ATOM C CD . PRO AJ 16 11 ? 5.199 62.611 -18.174 1.00 77.66 ? 11 PRO v CD 1 ? ? +47240 ATOM C C . PRO AJ 16 11 ? 2.979 65.177 -17.106 1.00 80.34 ? 11 PRO v C 1 ? ? +47241 ATOM O O . PRO AJ 16 11 ? 2.304 64.297 -16.573 1.00 79.33 ? 11 PRO v O 1 ? ? +47242 ATOM N N . LEU AJ 16 12 ? 2.748 66.486 -16.945 1.00 82.30 ? 12 LEU v N 1 ? ? +47243 ATOM C CA . LEU AJ 16 12 ? 1.621 67.015 -16.190 1.00 83.46 ? 12 LEU v CA 1 ? ? +47244 ATOM C CB . LEU AJ 16 12 ? 1.960 68.444 -15.720 1.00 84.55 ? 12 LEU v CB 1 ? ? +47245 ATOM C CG . LEU AJ 16 12 ? 0.988 69.166 -14.777 1.00 85.21 ? 12 LEU v CG 1 ? ? +47246 ATOM C CD1 . LEU AJ 16 12 ? -0.375 69.381 -15.394 1.00 85.62 ? 12 LEU v CD1 1 ? ? +47247 ATOM C CD2 . LEU AJ 16 12 ? 0.857 68.432 -13.449 1.00 84.47 ? 12 LEU v CD2 1 ? ? +47248 ATOM C C . LEU AJ 16 12 ? 0.347 67.028 -17.031 1.00 84.44 ? 12 LEU v C 1 ? ? +47249 ATOM O O . LEU AJ 16 12 ? -0.716 66.658 -16.539 1.00 84.29 ? 12 LEU v O 1 ? ? +47250 ATOM N N . ASN AJ 16 13 ? 0.468 67.463 -18.292 1.00 85.96 ? 13 ASN v N 1 ? ? +47251 ATOM C CA . ASN AJ 16 13 ? -0.667 67.581 -19.196 1.00 87.44 ? 13 ASN v CA 1 ? ? +47252 ATOM C CB . ASN AJ 16 13 ? -1.212 69.012 -19.164 1.00 88.34 ? 13 ASN v CB 1 ? ? +47253 ATOM C CG . ASN AJ 16 13 ? -0.168 70.050 -19.461 1.00 88.91 ? 13 ASN v CG 1 ? ? +47254 ATOM O OD1 . ASN AJ 16 13 ? 0.622 69.915 -20.378 1.00 88.79 ? 13 ASN v OD1 1 ? ? +47255 ATOM N ND2 . ASN AJ 16 13 ? -0.111 71.106 -18.679 1.00 89.76 ? 13 ASN v ND2 1 ? ? +47256 ATOM C C . ASN AJ 16 13 ? -0.281 67.176 -20.616 1.00 89.17 ? 13 ASN v C 1 ? ? +47257 ATOM O O . ASN AJ 16 13 ? 0.865 66.817 -20.864 1.00 89.54 ? 13 ASN v O 1 ? ? +47258 ATOM N N . SER AJ 16 14 ? -1.251 67.231 -21.537 1.00 91.59 ? 14 SER v N 1 ? ? +47259 ATOM C CA . SER AJ 16 14 ? -1.024 66.945 -22.947 1.00 93.04 ? 14 SER v CA 1 ? ? +47260 ATOM C CB . SER AJ 16 14 ? -2.366 66.690 -23.624 1.00 93.26 ? 14 SER v CB 1 ? ? +47261 ATOM O OG . SER AJ 16 14 ? -3.243 67.761 -23.315 1.00 94.55 ? 14 SER v OG 1 ? ? +47262 ATOM C C . SER AJ 16 14 ? -0.282 68.051 -23.704 1.00 95.56 ? 14 SER v C 1 ? ? +47263 ATOM O O . SER AJ 16 14 ? 0.226 67.810 -24.795 1.00 95.15 ? 14 SER v O 1 ? ? +47264 ATOM N N . GLU AJ 16 15 ? -0.226 69.260 -23.129 1.00 98.85 ? 15 GLU v N 1 ? ? +47265 ATOM C CA . GLU AJ 16 15 ? 0.484 70.383 -23.727 1.00 101.40 ? 15 GLU v CA 1 ? ? +47266 ATOM C CB . GLU AJ 16 15 ? 0.009 71.731 -23.121 1.00 103.80 ? 15 GLU v CB 1 ? ? +47267 ATOM C CG . GLU AJ 16 15 ? -1.487 71.999 -23.131 1.00 105.13 ? 15 GLU v CG 1 ? ? +47268 ATOM C CD . GLU AJ 16 15 ? -2.057 72.511 -24.441 1.00 106.94 ? 15 GLU v CD 1 ? ? +47269 ATOM O OE1 . GLU AJ 16 15 ? -1.404 72.323 -25.493 1.00 107.82 ? 15 GLU v OE1 1 ? ? +47270 ATOM O OE2 . GLU AJ 16 15 ? -3.147 73.129 -24.409 1.00 107.71 ? 15 GLU v OE2 1 ? ? +47271 ATOM C C . GLU AJ 16 15 ? 2.002 70.306 -23.544 1.00 101.29 ? 15 GLU v C 1 ? ? +47272 ATOM O O . GLU AJ 16 15 ? 2.729 71.142 -24.073 1.00 102.51 ? 15 GLU v O 1 ? ? +47273 ATOM N N . GLY AJ 16 16 ? 2.477 69.330 -22.758 1.00 100.22 ? 16 GLY v N 1 ? ? +47274 ATOM C CA . GLY AJ 16 16 ? 3.898 69.031 -22.654 1.00 99.15 ? 16 GLY v CA 1 ? ? +47275 ATOM C C . GLY AJ 16 16 ? 4.570 69.452 -21.348 1.00 98.45 ? 16 GLY v C 1 ? ? +47276 ATOM O O . GLY AJ 16 16 ? 5.697 69.030 -21.081 1.00 99.52 ? 16 GLY v O 1 ? ? +47277 ATOM N N . LYS AJ 16 17 ? 3.884 70.264 -20.532 1.00 96.99 ? 17 LYS v N 1 ? ? +47278 ATOM C CA . LYS AJ 16 17 ? 4.468 70.719 -19.282 1.00 95.96 ? 17 LYS v CA 1 ? ? +47279 ATOM C CB . LYS AJ 16 17 ? 3.626 71.795 -18.585 1.00 97.64 ? 17 LYS v CB 1 ? ? +47280 ATOM C CG . LYS AJ 16 17 ? 4.526 72.627 -17.649 1.00 99.26 ? 17 LYS v CG 1 ? ? +47281 ATOM C CD . LYS AJ 16 17 ? 3.834 73.687 -16.831 1.00 100.60 ? 17 LYS v CD 1 ? ? +47282 ATOM C CE . LYS AJ 16 17 ? 4.752 74.158 -15.727 1.00 101.20 ? 17 LYS v CE 1 ? ? +47283 ATOM N NZ . LYS AJ 16 17 ? 4.452 75.550 -15.322 1.00 102.62 ? 17 LYS v NZ 1 ? ? +47284 ATOM C C . LYS AJ 16 17 ? 4.683 69.530 -18.347 1.00 92.86 ? 17 LYS v C 1 ? ? +47285 ATOM O O . LYS AJ 16 17 ? 3.885 68.597 -18.344 1.00 91.96 ? 17 LYS v O 1 ? ? +47286 ATOM N N . THR AJ 16 18 ? 5.785 69.568 -17.585 1.00 90.62 ? 18 THR v N 1 ? ? +47287 ATOM C CA . THR AJ 16 18 ? 6.158 68.496 -16.672 1.00 87.96 ? 18 THR v CA 1 ? ? +47288 ATOM C CB . THR AJ 16 18 ? 7.609 68.033 -16.939 1.00 87.49 ? 18 THR v CB 1 ? ? +47289 ATOM O OG1 . THR AJ 16 18 ? 8.525 69.018 -16.459 1.00 88.36 ? 18 THR v OG1 1 ? ? +47290 ATOM C CG2 . THR AJ 16 18 ? 7.877 67.769 -18.413 1.00 87.31 ? 18 THR v CG2 1 ? ? +47291 ATOM C C . THR AJ 16 18 ? 6.001 68.916 -15.213 1.00 86.73 ? 18 THR v C 1 ? ? +47292 ATOM O O . THR AJ 16 18 ? 5.921 70.098 -14.903 1.00 87.35 ? 18 THR v O 1 ? ? +47293 ATOM N N . ILE AJ 16 19 ? 5.931 67.919 -14.331 1.00 85.07 ? 19 ILE v N 1 ? ? +47294 ATOM C CA . ILE AJ 16 19 ? 5.981 68.119 -12.893 1.00 84.65 ? 19 ILE v CA 1 ? ? +47295 ATOM C CB . ILE AJ 16 19 ? 4.570 67.913 -12.258 1.00 84.34 ? 19 ILE v CB 1 ? ? +47296 ATOM C CG1 . ILE AJ 16 19 ? 4.492 68.371 -10.798 1.00 84.91 ? 19 ILE v CG1 1 ? ? +47297 ATOM C CG2 . ILE AJ 16 19 ? 4.083 66.479 -12.372 1.00 83.13 ? 19 ILE v CG2 1 ? ? +47298 ATOM C CD1 . ILE AJ 16 19 ? 5.162 67.451 -9.775 1.00 84.43 ? 19 ILE v CD1 1 ? ? +47299 ATOM C C . ILE AJ 16 19 ? 7.045 67.149 -12.387 1.00 83.60 ? 19 ILE v C 1 ? ? +47300 ATOM O O . ILE AJ 16 19 ? 7.235 66.079 -12.967 1.00 82.71 ? 19 ILE v O 1 ? ? +47301 ATOM N N . THR AJ 16 20 ? 7.760 67.544 -11.330 1.00 83.50 ? 20 THR v N 1 ? ? +47302 ATOM C CA . THR AJ 16 20 ? 8.723 66.661 -10.691 1.00 82.68 ? 20 THR v CA 1 ? ? +47303 ATOM C CB . THR AJ 16 20 ? 10.103 67.312 -10.625 1.00 82.77 ? 20 THR v CB 1 ? ? +47304 ATOM O OG1 . THR AJ 16 20 ? 10.501 67.648 -11.946 1.00 82.68 ? 20 THR v OG1 1 ? ? +47305 ATOM C CG2 . THR AJ 16 20 ? 11.138 66.405 -10.014 1.00 82.08 ? 20 THR v CG2 1 ? ? +47306 ATOM C C . THR AJ 16 20 ? 8.184 66.249 -9.325 1.00 82.71 ? 20 THR v C 1 ? ? +47307 ATOM O O . THR AJ 16 20 ? 7.947 67.093 -8.469 1.00 83.30 ? 20 THR v O 1 ? ? +47308 ATOM N N . LEU AJ 16 21 ? 7.991 64.939 -9.143 1.00 82.44 ? 21 LEU v N 1 ? ? +47309 ATOM C CA . LEU AJ 16 21 ? 7.470 64.391 -7.904 1.00 82.54 ? 21 LEU v CA 1 ? ? +47310 ATOM C CB . LEU AJ 16 21 ? 6.838 63.016 -8.159 1.00 81.55 ? 21 LEU v CB 1 ? ? +47311 ATOM C CG . LEU AJ 16 21 ? 5.789 62.938 -9.269 1.00 81.39 ? 21 LEU v CG 1 ? ? +47312 ATOM C CD1 . LEU AJ 16 21 ? 5.479 61.515 -9.619 1.00 80.43 ? 21 LEU v CD1 1 ? ? +47313 ATOM C CD2 . LEU AJ 16 21 ? 4.514 63.631 -8.876 1.00 82.08 ? 21 LEU v CD2 1 ? ? +47314 ATOM C C . LEU AJ 16 21 ? 8.608 64.241 -6.896 1.00 83.23 ? 21 LEU v C 1 ? ? +47315 ATOM O O . LEU AJ 16 21 ? 9.758 64.035 -7.284 1.00 82.87 ? 21 LEU v O 1 ? ? +47316 ATOM N N . THR AJ 16 22 ? 8.266 64.334 -5.605 1.00 84.42 ? 22 THR v N 1 ? ? +47317 ATOM C CA . THR AJ 16 22 ? 9.197 64.031 -4.531 1.00 85.47 ? 22 THR v CA 1 ? ? +47318 ATOM C CB . THR AJ 16 22 ? 8.771 64.696 -3.211 1.00 86.31 ? 22 THR v CB 1 ? ? +47319 ATOM O OG1 . THR AJ 16 22 ? 7.550 64.122 -2.762 1.00 86.38 ? 22 THR v OG1 1 ? ? +47320 ATOM C CG2 . THR AJ 16 22 ? 8.572 66.196 -3.335 1.00 87.16 ? 22 THR v CG2 1 ? ? +47321 ATOM C C . THR AJ 16 22 ? 9.271 62.517 -4.361 1.00 85.29 ? 22 THR v C 1 ? ? +47322 ATOM O O . THR AJ 16 22 ? 8.360 61.806 -4.785 1.00 84.94 ? 22 THR v O 1 ? ? +47323 ATOM N N . GLU AJ 16 23 ? 10.351 62.037 -3.730 1.00 86.30 ? 23 GLU v N 1 ? ? +47324 ATOM C CA . GLU AJ 16 23 ? 10.471 60.631 -3.368 1.00 86.25 ? 23 GLU v CA 1 ? ? +47325 ATOM C CB . GLU AJ 16 23 ? 11.839 60.365 -2.689 1.00 87.74 ? 23 GLU v CB 1 ? ? +47326 ATOM C CG . GLU AJ 16 23 ? 12.158 58.903 -2.368 1.00 88.19 ? 23 GLU v CG 1 ? ? +47327 ATOM C CD . GLU AJ 16 23 ? 13.625 58.595 -2.087 1.00 89.46 ? 23 GLU v CD 1 ? ? +47328 ATOM O OE1 . GLU AJ 16 23 ? 14.406 59.560 -1.908 1.00 90.66 ? 23 GLU v OE1 1 ? ? +47329 ATOM O OE2 . GLU AJ 16 23 ? 14.001 57.394 -2.056 1.00 90.74 ? 23 GLU v OE2 1 ? ? +47330 ATOM C C . GLU AJ 16 23 ? 9.295 60.229 -2.475 1.00 85.28 ? 23 GLU v C 1 ? ? +47331 ATOM O O . GLU AJ 16 23 ? 8.762 59.132 -2.599 1.00 83.98 ? 23 GLU v O 1 ? ? +47332 ATOM N N . LYS AJ 16 24 ? 8.861 61.146 -1.608 1.00 86.03 ? 24 LYS v N 1 ? ? +47333 ATOM C CA . LYS AJ 16 24 ? 7.762 60.883 -0.690 1.00 86.05 ? 24 LYS v CA 1 ? ? +47334 ATOM C CB . LYS AJ 16 24 ? 7.703 62.023 0.346 1.00 88.10 ? 24 LYS v CB 1 ? ? +47335 ATOM C CG . LYS AJ 16 24 ? 7.217 61.624 1.744 1.00 89.49 ? 24 LYS v CG 1 ? ? +47336 ATOM C CD . LYS AJ 16 24 ? 5.722 61.914 2.026 1.00 91.02 ? 24 LYS v CD 1 ? ? +47337 ATOM C CE . LYS AJ 16 24 ? 4.857 60.674 2.218 1.00 91.11 ? 24 LYS v CE 1 ? ? +47338 ATOM N NZ . LYS AJ 16 24 ? 3.483 61.035 2.704 1.00 92.07 ? 24 LYS v NZ 1 ? ? +47339 ATOM C C . LYS AJ 16 24 ? 6.429 60.710 -1.425 1.00 84.59 ? 24 LYS v C 1 ? ? +47340 ATOM O O . LYS AJ 16 24 ? 5.642 59.831 -1.085 1.00 83.62 ? 24 LYS v O 1 ? ? +47341 ATOM N N . GLN AJ 16 25 ? 6.183 61.544 -2.445 1.00 83.85 ? 25 GLN v N 1 ? ? +47342 ATOM C CA . GLN AJ 16 25 ? 4.991 61.418 -3.270 1.00 82.73 ? 25 GLN v CA 1 ? ? +47343 ATOM C CB . GLN AJ 16 25 ? 4.922 62.521 -4.331 1.00 83.38 ? 25 GLN v CB 1 ? ? +47344 ATOM C CG . GLN AJ 16 25 ? 4.441 63.863 -3.846 1.00 84.18 ? 25 GLN v CG 1 ? ? +47345 ATOM C CD . GLN AJ 16 25 ? 4.365 64.819 -5.004 1.00 84.80 ? 25 GLN v CD 1 ? ? +47346 ATOM O OE1 . GLN AJ 16 25 ? 3.638 64.593 -5.975 1.00 84.41 ? 25 GLN v OE1 1 ? ? +47347 ATOM N NE2 . GLN AJ 16 25 ? 5.113 65.906 -4.964 1.00 85.98 ? 25 GLN v NE2 1 ? ? +47348 ATOM C C . GLN AJ 16 25 ? 4.945 60.074 -3.993 1.00 81.03 ? 25 GLN v C 1 ? ? +47349 ATOM O O . GLN AJ 16 25 ? 3.909 59.412 -4.006 1.00 80.93 ? 25 GLN v O 1 ? ? +47350 ATOM N N . TYR AJ 16 26 ? 6.065 59.696 -4.622 1.00 79.70 ? 26 TYR v N 1 ? ? +47351 ATOM C CA . TYR AJ 16 26 ? 6.163 58.418 -5.309 1.00 77.89 ? 26 TYR v CA 1 ? ? +47352 ATOM C CB . TYR AJ 16 26 ? 7.579 58.181 -5.877 1.00 77.15 ? 26 TYR v CB 1 ? ? +47353 ATOM C CG . TYR AJ 16 26 ? 7.771 56.761 -6.361 1.00 75.81 ? 26 TYR v CG 1 ? ? +47354 ATOM C CD1 . TYR AJ 16 26 ? 7.215 56.330 -7.558 1.00 75.25 ? 26 TYR v CD1 1 ? ? +47355 ATOM C CD2 . TYR AJ 16 26 ? 8.453 55.832 -5.592 1.00 75.14 ? 26 TYR v CD2 1 ? ? +47356 ATOM C CE1 . TYR AJ 16 26 ? 7.368 55.019 -7.995 1.00 74.25 ? 26 TYR v CE1 1 ? ? +47357 ATOM C CE2 . TYR AJ 16 26 ? 8.601 54.517 -6.011 1.00 74.13 ? 26 TYR v CE2 1 ? ? +47358 ATOM C CZ . TYR AJ 16 26 ? 8.063 54.116 -7.214 1.00 73.64 ? 26 TYR v CZ 1 ? ? +47359 ATOM O OH . TYR AJ 16 26 ? 8.220 52.820 -7.617 1.00 72.75 ? 26 TYR v OH 1 ? ? +47360 ATOM C C . TYR AJ 16 26 ? 5.778 57.273 -4.375 1.00 77.07 ? 26 TYR v C 1 ? ? +47361 ATOM O O . TYR AJ 16 26 ? 4.944 56.442 -4.729 1.00 76.31 ? 26 TYR v O 1 ? ? +47362 ATOM N N . LEU AJ 16 27 ? 6.406 57.231 -3.190 1.00 77.27 ? 27 LEU v N 1 ? ? +47363 ATOM C CA . LEU AJ 16 27 ? 6.185 56.155 -2.236 1.00 76.80 ? 27 LEU v CA 1 ? ? +47364 ATOM C CB . LEU AJ 16 27 ? 7.134 56.250 -1.022 1.00 76.80 ? 27 LEU v CB 1 ? ? +47365 ATOM C CG . LEU AJ 16 27 ? 8.556 55.714 -1.182 1.00 76.70 ? 27 LEU v CG 1 ? ? +47366 ATOM C CD1 . LEU AJ 16 27 ? 8.589 54.389 -1.913 1.00 75.72 ? 27 LEU v CD1 1 ? ? +47367 ATOM C CD2 . LEU AJ 16 27 ? 9.448 56.685 -1.887 1.00 77.55 ? 27 LEU v CD2 1 ? ? +47368 ATOM C C . LEU AJ 16 27 ? 4.743 56.146 -1.733 1.00 77.01 ? 27 LEU v C 1 ? ? +47369 ATOM O O . LEU AJ 16 27 ? 4.188 55.079 -1.471 1.00 76.24 ? 27 LEU v O 1 ? ? +47370 ATOM N N . GLU AJ 16 28 ? 4.160 57.342 -1.590 1.00 78.25 ? 28 GLU v N 1 ? ? +47371 ATOM C CA . GLU AJ 16 28 ? 2.781 57.493 -1.150 1.00 79.11 ? 28 GLU v CA 1 ? ? +47372 ATOM C CB . GLU AJ 16 28 ? 2.512 58.991 -0.777 1.00 81.37 ? 28 GLU v CB 1 ? ? +47373 ATOM C CG . GLU AJ 16 28 ? 1.321 59.279 0.143 1.00 82.98 ? 28 GLU v CG 1 ? ? +47374 ATOM C CD . GLU AJ 16 28 ? 1.367 58.601 1.504 1.00 84.35 ? 28 GLU v CD 1 ? ? +47375 ATOM O OE1 . GLU AJ 16 28 ? 2.414 58.699 2.189 1.00 85.50 ? 28 GLU v OE1 1 ? ? +47376 ATOM O OE2 . GLU AJ 16 28 ? 0.354 57.965 1.885 1.00 85.51 ? 28 GLU v OE2 1 ? ? +47377 ATOM C C . GLU AJ 16 28 ? 1.846 56.970 -2.241 1.00 78.05 ? 28 GLU v C 1 ? ? +47378 ATOM O O . GLU AJ 16 28 ? 0.870 56.283 -1.954 1.00 77.84 ? 28 GLU v O 1 ? ? +47379 ATOM N N . GLY AJ 16 29 ? 2.180 57.277 -3.500 1.00 77.59 ? 29 GLY v N 1 ? ? +47380 ATOM C CA . GLY AJ 16 29 ? 1.445 56.765 -4.644 1.00 76.64 ? 29 GLY v CA 1 ? ? +47381 ATOM C C . GLY AJ 16 29 ? 1.473 55.245 -4.755 1.00 75.36 ? 29 GLY v C 1 ? ? +47382 ATOM O O . GLY AJ 16 29 ? 0.484 54.634 -5.150 1.00 74.95 ? 29 GLY v O 1 ? ? +47383 ATOM N N . LYS AJ 16 30 ? 2.625 54.646 -4.432 1.00 74.76 ? 30 LYS v N 1 ? ? +47384 ATOM C CA . LYS AJ 16 30 ? 2.764 53.200 -4.432 1.00 73.43 ? 30 LYS v CA 1 ? ? +47385 ATOM C CB . LYS AJ 16 30 ? 4.221 52.808 -4.145 1.00 73.34 ? 30 LYS v CB 1 ? ? +47386 ATOM C CG . LYS AJ 16 30 ? 4.497 51.314 -4.313 1.00 72.59 ? 30 LYS v CG 1 ? ? +47387 ATOM C CD . LYS AJ 16 30 ? 5.945 50.968 -4.078 1.00 72.58 ? 30 LYS v CD 1 ? ? +47388 ATOM C CE . LYS AJ 16 30 ? 6.218 49.528 -4.378 1.00 72.14 ? 30 LYS v CE 1 ? ? +47389 ATOM N NZ . LYS AJ 16 30 ? 7.682 49.242 -4.416 1.00 72.39 ? 30 LYS v NZ 1 ? ? +47390 ATOM C C . LYS AJ 16 30 ? 1.824 52.571 -3.405 1.00 72.60 ? 30 LYS v C 1 ? ? +47391 ATOM O O . LYS AJ 16 30 ? 1.165 51.581 -3.696 1.00 71.86 ? 30 LYS v O 1 ? ? +47392 ATOM N N . ARG AJ 16 31 ? 1.781 53.160 -2.206 1.00 72.75 ? 31 ARG v N 1 ? ? +47393 ATOM C CA . ARG AJ 16 31 ? 0.992 52.651 -1.098 1.00 72.42 ? 31 ARG v CA 1 ? ? +47394 ATOM C CB . ARG AJ 16 31 ? 1.288 53.456 0.190 1.00 73.70 ? 31 ARG v CB 1 ? ? +47395 ATOM C CG . ARG AJ 16 31 ? 0.658 52.863 1.436 1.00 74.20 ? 31 ARG v CG 1 ? ? +47396 ATOM C CD . ARG AJ 16 31 ? 0.779 53.775 2.657 1.00 75.42 ? 31 ARG v CD 1 ? ? +47397 ATOM N NE . ARG AJ 16 31 ? -0.169 54.883 2.616 1.00 76.83 ? 31 ARG v NE 1 ? ? +47398 ATOM C CZ . ARG AJ 16 31 ? -1.484 54.773 2.811 1.00 77.36 ? 31 ARG v CZ 1 ? ? +47399 ATOM N NH1 . ARG AJ 16 31 ? -2.076 53.594 2.946 1.00 76.92 ? 31 ARG v NH1 1 ? ? +47400 ATOM N NH2 . ARG AJ 16 31 ? -2.222 55.877 2.888 1.00 78.05 ? 31 ARG v NH2 1 ? ? +47401 ATOM C C . ARG AJ 16 31 ? -0.497 52.742 -1.412 1.00 71.74 ? 31 ARG v C 1 ? ? +47402 ATOM O O . ARG AJ 16 31 ? -1.252 51.807 -1.158 1.00 71.14 ? 31 ARG v O 1 ? ? +47403 ATOM N N . LEU AJ 16 32 ? -0.902 53.894 -1.949 1.00 71.76 ? 32 LEU v N 1 ? ? +47404 ATOM C CA . LEU AJ 16 32 ? -2.289 54.145 -2.302 1.00 71.40 ? 32 LEU v CA 1 ? ? +47405 ATOM C CB . LEU AJ 16 32 ? -2.444 55.616 -2.650 1.00 72.15 ? 32 LEU v CB 1 ? ? +47406 ATOM C CG . LEU AJ 16 32 ? -2.382 56.544 -1.479 1.00 72.74 ? 32 LEU v CG 1 ? ? +47407 ATOM C CD1 . LEU AJ 16 32 ? -2.127 57.971 -1.928 1.00 73.65 ? 32 LEU v CD1 1 ? ? +47408 ATOM C CD2 . LEU AJ 16 32 ? -3.664 56.475 -0.685 1.00 72.91 ? 32 LEU v CD2 1 ? ? +47409 ATOM C C . LEU AJ 16 32 ? -2.753 53.282 -3.472 1.00 70.42 ? 32 LEU v C 1 ? ? +47410 ATOM O O . LEU AJ 16 32 ? -3.899 52.843 -3.494 1.00 70.28 ? 32 LEU v O 1 ? ? +47411 ATOM N N . PHE AJ 16 33 ? -1.854 53.061 -4.437 1.00 69.85 ? 33 PHE v N 1 ? ? +47412 ATOM C CA . PHE AJ 16 33 ? -2.096 52.140 -5.536 1.00 69.06 ? 33 PHE v CA 1 ? ? +47413 ATOM C CB . PHE AJ 16 33 ? -0.921 52.173 -6.523 1.00 68.76 ? 33 PHE v CB 1 ? ? +47414 ATOM C CG . PHE AJ 16 33 ? -1.083 51.260 -7.707 1.00 67.95 ? 33 PHE v CG 1 ? ? +47415 ATOM C CD1 . PHE AJ 16 33 ? -1.801 51.658 -8.815 1.00 68.07 ? 33 PHE v CD1 1 ? ? +47416 ATOM C CD2 . PHE AJ 16 33 ? -0.538 49.989 -7.700 1.00 67.04 ? 33 PHE v CD2 1 ? ? +47417 ATOM C CE1 . PHE AJ 16 33 ? -1.944 50.812 -9.905 1.00 67.44 ? 33 PHE v CE1 1 ? ? +47418 ATOM C CE2 . PHE AJ 16 33 ? -0.698 49.145 -8.783 1.00 66.37 ? 33 PHE v CE2 1 ? ? +47419 ATOM C CZ . PHE AJ 16 33 ? -1.392 49.561 -9.879 1.00 66.58 ? 33 PHE v CZ 1 ? ? +47420 ATOM C C . PHE AJ 16 33 ? -2.319 50.709 -5.042 1.00 68.29 ? 33 PHE v C 1 ? ? +47421 ATOM O O . PHE AJ 16 33 ? -3.188 50.009 -5.549 1.00 68.02 ? 33 PHE v O 1 ? ? +47422 ATOM N N . GLN AJ 16 34 ? -1.524 50.270 -4.060 1.00 67.99 ? 34 GLN v N 1 ? ? +47423 ATOM C CA . GLN AJ 16 34 ? -1.706 48.958 -3.459 1.00 67.22 ? 34 GLN v CA 1 ? ? +47424 ATOM C CB . GLN AJ 16 34 ? -0.536 48.624 -2.527 1.00 67.35 ? 34 GLN v CB 1 ? ? +47425 ATOM C CG . GLN AJ 16 34 ? 0.739 48.352 -3.315 1.00 67.54 ? 34 GLN v CG 1 ? ? +47426 ATOM C CD . GLN AJ 16 34 ? 1.961 48.073 -2.470 1.00 67.79 ? 34 GLN v CD 1 ? ? +47427 ATOM O OE1 . GLN AJ 16 34 ? 1.912 48.031 -1.238 1.00 68.16 ? 34 GLN v OE1 1 ? ? +47428 ATOM N NE2 . GLN AJ 16 34 ? 3.099 47.888 -3.140 1.00 67.81 ? 34 GLN v NE2 1 ? ? +47429 ATOM C C . GLN AJ 16 34 ? -3.030 48.885 -2.705 1.00 67.20 ? 34 GLN v C 1 ? ? +47430 ATOM O O . GLN AJ 16 34 ? -3.722 47.871 -2.736 1.00 66.98 ? 34 GLN v O 1 ? ? +47431 ATOM N N . TYR AJ 16 35 ? -3.381 49.976 -2.025 1.00 67.54 ? 35 TYR v N 1 ? ? +47432 ATOM C CA . TYR AJ 16 35 ? -4.596 50.031 -1.229 1.00 67.55 ? 35 TYR v CA 1 ? ? +47433 ATOM C CB . TYR AJ 16 35 ? -4.573 51.328 -0.390 1.00 68.51 ? 35 TYR v CB 1 ? ? +47434 ATOM C CG . TYR AJ 16 35 ? -5.915 51.845 0.071 1.00 69.12 ? 35 TYR v CG 1 ? ? +47435 ATOM C CD1 . TYR AJ 16 35 ? -6.580 51.265 1.141 1.00 69.07 ? 35 TYR v CD1 1 ? ? +47436 ATOM C CD2 . TYR AJ 16 35 ? -6.505 52.932 -0.546 1.00 69.93 ? 35 TYR v CD2 1 ? ? +47437 ATOM C CE1 . TYR AJ 16 35 ? -7.808 51.752 1.577 1.00 69.69 ? 35 TYR v CE1 1 ? ? +47438 ATOM C CE2 . TYR AJ 16 35 ? -7.731 53.430 -0.122 1.00 70.58 ? 35 TYR v CE2 1 ? ? +47439 ATOM C CZ . TYR AJ 16 35 ? -8.385 52.837 0.941 1.00 70.46 ? 35 TYR v CZ 1 ? ? +47440 ATOM O OH . TYR AJ 16 35 ? -9.598 53.353 1.353 1.00 71.07 ? 35 TYR v OH 1 ? ? +47441 ATOM C C . TYR AJ 16 35 ? -5.852 49.917 -2.093 1.00 67.03 ? 35 TYR v C 1 ? ? +47442 ATOM O O . TYR AJ 16 35 ? -6.723 49.106 -1.799 1.00 66.72 ? 35 TYR v O 1 ? ? +47443 ATOM N N . ALA AJ 16 36 ? -5.904 50.689 -3.186 1.00 66.85 ? 36 ALA v N 1 ? ? +47444 ATOM C CA . ALA AJ 16 36 ? -7.130 50.882 -3.943 1.00 66.66 ? 36 ALA v CA 1 ? ? +47445 ATOM C CB . ALA AJ 16 36 ? -7.423 52.373 -4.037 1.00 67.50 ? 36 ALA v CB 1 ? ? +47446 ATOM C C . ALA AJ 16 36 ? -7.147 50.286 -5.350 1.00 65.78 ? 36 ALA v C 1 ? ? +47447 ATOM O O . ALA AJ 16 36 ? -8.205 50.205 -5.961 1.00 65.93 ? 36 ALA v O 1 ? ? +47448 ATOM N N . CYS AJ 16 37 ? -5.991 49.877 -5.875 1.00 64.86 ? 37 CYS v N 1 ? ? +47449 ATOM C CA . CYS AJ 16 37 ? -5.906 49.522 -7.282 1.00 64.24 ? 37 CYS v CA 1 ? ? +47450 ATOM C CB . CYS AJ 16 37 ? -5.060 50.553 -8.022 1.00 64.51 ? 37 CYS v CB 1 ? ? +47451 ATOM S SG . CYS AJ 16 37 ? -5.504 52.265 -7.687 1.00 65.43 ? 37 CYS v SG 1 ? ? +47452 ATOM C C . CYS AJ 16 37 ? -5.301 48.162 -7.614 1.00 63.29 ? 37 CYS v C 1 ? ? +47453 ATOM O O . CYS AJ 16 37 ? -5.679 47.567 -8.619 1.00 63.08 ? 37 CYS v O 1 ? ? +47454 ATOM N N . ALA AJ 16 38 ? -4.363 47.687 -6.782 1.00 62.78 ? 38 ALA v N 1 ? ? +47455 ATOM C CA . ALA AJ 16 38 ? -3.547 46.532 -7.120 1.00 61.84 ? 38 ALA v CA 1 ? ? +47456 ATOM C CB . ALA AJ 16 38 ? -2.416 46.379 -6.110 1.00 61.73 ? 38 ALA v CB 1 ? ? +47457 ATOM C C . ALA AJ 16 38 ? -4.332 45.228 -7.215 1.00 61.07 ? 38 ALA v C 1 ? ? +47458 ATOM O O . ALA AJ 16 38 ? -3.902 44.304 -7.904 1.00 60.51 ? 38 ALA v O 1 ? ? +47459 ATOM N N . SER AJ 16 39 ? -5.467 45.149 -6.512 1.00 61.05 ? 39 SER v N 1 ? ? +47460 ATOM C CA . SER AJ 16 39 ? -6.298 43.956 -6.550 1.00 60.41 ? 39 SER v CA 1 ? ? +47461 ATOM C CB . SER AJ 16 39 ? -7.569 44.149 -5.733 1.00 60.79 ? 39 SER v CB 1 ? ? +47462 ATOM O OG . SER AJ 16 39 ? -8.386 45.161 -6.293 1.00 61.41 ? 39 SER v OG 1 ? ? +47463 ATOM C C . SER AJ 16 39 ? -6.641 43.579 -7.990 1.00 60.05 ? 39 SER v C 1 ? ? +47464 ATOM O O . SER AJ 16 39 ? -6.698 42.399 -8.328 1.00 59.48 ? 39 SER v O 1 ? ? +47465 ATOM N N . CYS AJ 16 40 ? -6.857 44.591 -8.838 1.00 60.43 ? 40 CYS v N 1 ? ? +47466 ATOM C CA . CYS AJ 16 40 ? -7.031 44.372 -10.262 1.00 60.17 ? 40 CYS v CA 1 ? ? +47467 ATOM C CB . CYS AJ 16 40 ? -8.224 45.185 -10.762 1.00 60.73 ? 40 CYS v CB 1 ? ? +47468 ATOM S SG . CYS AJ 16 40 ? -9.818 44.693 -10.043 1.00 60.80 ? 40 CYS v SG 1 ? ? +47469 ATOM C C . CYS AJ 16 40 ? -5.790 44.681 -11.099 1.00 60.04 ? 40 CYS v C 1 ? ? +47470 ATOM O O . CYS AJ 16 40 ? -5.574 44.026 -12.110 1.00 59.65 ? 40 CYS v O 1 ? ? +47471 ATOM N N . HIS AJ 16 41 ? -4.969 45.652 -10.676 1.00 60.44 ? 41 HIS v N 1 ? ? +47472 ATOM C CA . HIS AJ 16 41 ? -3.915 46.175 -11.533 1.00 60.56 ? 41 HIS v CA 1 ? ? +47473 ATOM C CB . HIS AJ 16 41 ? -4.062 47.699 -11.658 1.00 61.38 ? 41 HIS v CB 1 ? ? +47474 ATOM C CG . HIS AJ 16 41 ? -5.230 48.164 -12.474 1.00 61.76 ? 41 HIS v CG 1 ? ? +47475 ATOM N ND1 . HIS AJ 16 41 ? -5.340 47.878 -13.811 1.00 61.55 ? 41 HIS v ND1 1 ? ? +47476 ATOM C CE1 . HIS AJ 16 41 ? -6.457 48.453 -14.218 1.00 62.05 ? 41 HIS v CE1 1 ? ? +47477 ATOM N NE2 . HIS AJ 16 41 ? -7.058 49.081 -13.220 1.00 62.54 ? 41 HIS v NE2 1 ? ? +47478 ATOM C CD2 . HIS AJ 16 41 ? -6.282 48.913 -12.108 1.00 62.34 ? 41 HIS v CD2 1 ? ? +47479 ATOM C C . HIS AJ 16 41 ? -2.477 45.861 -11.113 1.00 60.28 ? 41 HIS v C 1 ? ? +47480 ATOM O O . HIS AJ 16 41 ? -1.550 46.503 -11.594 1.00 60.54 ? 41 HIS v O 1 ? ? +47481 ATOM N N . VAL AJ 16 42 ? -2.284 44.864 -10.243 1.00 59.79 ? 42 VAL v N 1 ? ? +47482 ATOM C CA . VAL AJ 16 42 ? -0.950 44.455 -9.830 1.00 59.53 ? 42 VAL v CA 1 ? ? +47483 ATOM C CB . VAL AJ 16 42 ? -0.967 43.107 -9.063 1.00 58.89 ? 42 VAL v CB 1 ? ? +47484 ATOM C CG1 . VAL AJ 16 42 ? -1.627 41.995 -9.874 1.00 58.34 ? 42 VAL v CG1 1 ? ? +47485 ATOM C CG2 . VAL AJ 16 42 ? 0.443 42.692 -8.633 1.00 58.61 ? 42 VAL v CG2 1 ? ? +47486 ATOM C C . VAL AJ 16 42 ? 0.006 44.377 -11.020 1.00 59.35 ? 42 VAL v C 1 ? ? +47487 ATOM O O . VAL AJ 16 42 ? -0.315 43.761 -12.032 1.00 59.04 ? 42 VAL v O 1 ? ? +47488 ATOM N N . GLY AJ 16 43 ? 1.172 45.026 -10.893 1.00 59.60 ? 43 GLY v N 1 ? ? +47489 ATOM C CA . GLY AJ 16 43 ? 2.200 44.963 -11.916 1.00 59.43 ? 43 GLY v CA 1 ? ? +47490 ATOM C C . GLY AJ 16 43 ? 1.862 45.653 -13.237 1.00 59.81 ? 43 GLY v C 1 ? ? +47491 ATOM O O . GLY AJ 16 43 ? 2.582 45.489 -14.219 1.00 59.71 ? 43 GLY v O 1 ? ? +47492 ATOM N N . GLY AJ 16 44 ? 0.763 46.415 -13.264 1.00 60.32 ? 44 GLY v N 1 ? ? +47493 ATOM C CA . GLY AJ 16 44 ? 0.394 47.195 -14.434 1.00 60.74 ? 44 GLY v CA 1 ? ? +47494 ATOM C C . GLY AJ 16 44 ? -0.506 46.528 -15.470 1.00 60.45 ? 44 GLY v C 1 ? ? +47495 ATOM O O . GLY AJ 16 44 ? -0.782 47.117 -16.508 1.00 60.85 ? 44 GLY v O 1 ? ? +47496 ATOM N N A ILE AJ 16 45 ? -0.949 45.297 -15.193 0.40 59.80 ? 45 ILE v N 1 ? ? +47497 ATOM N N B ILE AJ 16 45 ? -0.967 45.309 -15.176 0.60 59.89 ? 45 ILE v N 1 ? ? +47498 ATOM C CA A ILE AJ 16 45 ? -1.953 44.633 -16.014 0.40 59.52 ? 45 ILE v CA 1 ? ? +47499 ATOM C CA B ILE AJ 16 45 ? -1.963 44.642 -16.000 0.60 59.66 ? 45 ILE v CA 1 ? ? +47500 ATOM C C A ILE AJ 16 45 ? -3.352 44.951 -15.486 0.40 59.83 ? 45 ILE v C 1 ? ? +47501 ATOM C C B ILE AJ 16 45 ? -3.360 44.939 -15.462 0.60 59.88 ? 45 ILE v C 1 ? ? +47502 ATOM O O A ILE AJ 16 45 ? -3.508 45.830 -14.644 0.40 60.30 ? 45 ILE v O 1 ? ? +47503 ATOM O O B ILE AJ 16 45 ? -3.517 45.766 -14.570 0.60 60.31 ? 45 ILE v O 1 ? ? +47504 ATOM C CB A ILE AJ 16 45 ? -1.673 43.111 -16.084 0.40 58.70 ? 45 ILE v CB 1 ? ? +47505 ATOM C CB B ILE AJ 16 45 ? -1.704 43.127 -16.055 0.60 58.94 ? 45 ILE v CB 1 ? ? +47506 ATOM C CG1 A ILE AJ 16 45 ? -1.768 42.449 -14.695 0.40 58.42 ? 45 ILE v CG1 1 ? ? +47507 ATOM C CG1 B ILE AJ 16 45 ? -1.878 42.489 -14.669 0.60 58.80 ? 45 ILE v CG1 1 ? ? +47508 ATOM C CG2 A ILE AJ 16 45 ? -0.316 42.847 -16.742 0.40 58.41 ? 45 ILE v CG2 1 ? ? +47509 ATOM C CG2 B ILE AJ 16 45 ? -0.340 42.830 -16.642 0.60 58.64 ? 45 ILE v CG2 1 ? ? +47510 ATOM C CD1 A ILE AJ 16 45 ? -2.112 41.044 -14.729 0.40 57.76 ? 45 ILE v CD1 1 ? ? +47511 ATOM C CD1 B ILE AJ 16 45 ? -2.203 41.110 -14.727 0.60 58.26 ? 45 ILE v CD1 1 ? ? +47512 ATOM N N . THR AJ 16 46 ? -4.367 44.261 -16.022 1.00 59.60 ? 46 THR v N 1 ? ? +47513 ATOM C CA . THR AJ 16 46 ? -5.738 44.362 -15.538 1.00 59.82 ? 46 THR v CA 1 ? ? +47514 ATOM C CB . THR AJ 16 46 ? -6.537 45.329 -16.397 1.00 60.48 ? 46 THR v CB 1 ? ? +47515 ATOM O OG1 . THR AJ 16 46 ? -5.807 46.551 -16.520 1.00 61.03 ? 46 THR v OG1 1 ? ? +47516 ATOM C CG2 . THR AJ 16 46 ? -7.921 45.598 -15.830 1.00 60.86 ? 46 THR v CG2 1 ? ? +47517 ATOM C C . THR AJ 16 46 ? -6.351 42.963 -15.530 1.00 59.13 ? 46 THR v C 1 ? ? +47518 ATOM O O . THR AJ 16 46 ? -6.585 42.384 -16.581 1.00 58.77 ? 46 THR v O 1 ? ? +47519 ATOM N N A LYS AJ 16 47 ? -6.596 42.430 -14.329 0.40 58.94 ? 47 LYS v N 1 ? ? +47520 ATOM N N B LYS AJ 16 47 ? -6.616 42.428 -14.336 0.60 58.99 ? 47 LYS v N 1 ? ? +47521 ATOM C CA A LYS AJ 16 47 ? -7.030 41.052 -14.178 0.40 58.37 ? 47 LYS v CA 1 ? ? +47522 ATOM C CA B LYS AJ 16 47 ? -7.036 41.044 -14.194 0.60 58.45 ? 47 LYS v CA 1 ? ? +47523 ATOM C C A LYS AJ 16 47 ? -8.422 40.786 -14.750 0.40 58.52 ? 47 LYS v C 1 ? ? +47524 ATOM C C B LYS AJ 16 47 ? -8.432 40.777 -14.749 0.60 58.55 ? 47 LYS v C 1 ? ? +47525 ATOM O O A LYS AJ 16 47 ? -8.676 39.706 -15.279 0.40 58.02 ? 47 LYS v O 1 ? ? +47526 ATOM O O B LYS AJ 16 47 ? -8.698 39.688 -15.256 0.60 58.05 ? 47 LYS v O 1 ? ? +47527 ATOM C CB A LYS AJ 16 47 ? -6.971 40.645 -12.702 0.40 58.23 ? 47 LYS v CB 1 ? ? +47528 ATOM C CB B LYS AJ 16 47 ? -6.964 40.621 -12.720 0.60 58.36 ? 47 LYS v CB 1 ? ? +47529 ATOM C CG A LYS AJ 16 47 ? -5.552 40.360 -12.249 0.40 57.87 ? 47 LYS v CG 1 ? ? +47530 ATOM C CG B LYS AJ 16 47 ? -5.533 40.476 -12.241 0.60 58.16 ? 47 LYS v CG 1 ? ? +47531 ATOM C CD A LYS AJ 16 47 ? -5.466 39.780 -10.861 0.40 57.67 ? 47 LYS v CD 1 ? ? +47532 ATOM C CD B LYS AJ 16 47 ? -5.403 39.821 -10.893 0.60 57.98 ? 47 LYS v CD 1 ? ? +47533 ATOM C CE A LYS AJ 16 47 ? -4.071 39.293 -10.564 0.40 57.27 ? 47 LYS v CE 1 ? ? +47534 ATOM C CE B LYS AJ 16 47 ? -3.987 39.336 -10.685 0.60 57.62 ? 47 LYS v CE 1 ? ? +47535 ATOM N NZ A LYS AJ 16 47 ? -3.934 38.814 -9.163 0.40 57.13 ? 47 LYS v NZ 1 ? ? +47536 ATOM N NZ B LYS AJ 16 47 ? -3.778 38.788 -9.324 0.60 57.49 ? 47 LYS v NZ 1 ? ? +47537 ATOM N N . THR AJ 16 48 ? -9.315 41.777 -14.657 1.00 59.21 ? 48 THR v N 1 ? ? +47538 ATOM C CA . THR AJ 16 48 ? -10.675 41.625 -15.140 1.00 59.45 ? 48 THR v CA 1 ? ? +47539 ATOM C CB . THR AJ 16 48 ? -11.638 42.374 -14.237 1.00 60.08 ? 48 THR v CB 1 ? ? +47540 ATOM O OG1 . THR AJ 16 48 ? -11.241 43.729 -14.131 1.00 60.70 ? 48 THR v OG1 1 ? ? +47541 ATOM C CG2 . THR AJ 16 48 ? -11.710 41.770 -12.859 1.00 59.81 ? 48 THR v CG2 1 ? ? +47542 ATOM C C . THR AJ 16 48 ? -10.834 42.033 -16.602 1.00 59.72 ? 48 THR v C 1 ? ? +47543 ATOM O O . THR AJ 16 48 ? -11.919 41.904 -17.156 1.00 59.97 ? 48 THR v O 1 ? ? +47544 ATOM N N . ASN AJ 16 49 ? -9.762 42.527 -17.225 1.00 59.70 ? 49 ASN v N 1 ? ? +47545 ATOM C CA . ASN AJ 16 49 ? -9.759 42.763 -18.660 1.00 59.83 ? 49 ASN v CA 1 ? ? +47546 ATOM C CB . ASN AJ 16 49 ? -10.581 43.984 -19.033 1.00 60.57 ? 49 ASN v CB 1 ? ? +47547 ATOM C CG . ASN AJ 16 49 ? -10.748 44.114 -20.522 1.00 60.70 ? 49 ASN v CG 1 ? ? +47548 ATOM O OD1 . ASN AJ 16 49 ? -10.105 43.414 -21.330 1.00 60.21 ? 49 ASN v OD1 1 ? ? +47549 ATOM N ND2 . ASN AJ 16 49 ? -11.612 45.006 -20.930 1.00 61.41 ? 49 ASN v ND2 1 ? ? +47550 ATOM C C . ASN AJ 16 49 ? -8.323 42.897 -19.164 1.00 59.66 ? 49 ASN v C 1 ? ? +47551 ATOM O O . ASN AJ 16 49 ? -7.857 44.001 -19.418 1.00 60.10 ? 49 ASN v O 1 ? ? +47552 ATOM N N A PRO AJ 16 50 ? -7.586 41.774 -19.330 0.40 59.02 ? 50 PRO v N 1 ? ? +47553 ATOM N N B PRO AJ 16 50 ? -7.589 41.773 -19.322 0.60 59.02 ? 50 PRO v N 1 ? ? +47554 ATOM C CA A PRO AJ 16 50 ? -6.163 41.812 -19.678 0.40 58.84 ? 50 PRO v CA 1 ? ? +47555 ATOM C CA B PRO AJ 16 50 ? -6.170 41.805 -19.679 0.60 58.84 ? 50 PRO v CA 1 ? ? +47556 ATOM C C A PRO AJ 16 50 ? -5.774 42.505 -20.984 0.40 59.28 ? 50 PRO v C 1 ? ? +47557 ATOM C C B PRO AJ 16 50 ? -5.782 42.543 -20.959 0.60 59.30 ? 50 PRO v C 1 ? ? +47558 ATOM O O A PRO AJ 16 50 ? -4.591 42.735 -21.226 0.40 59.22 ? 50 PRO v O 1 ? ? +47559 ATOM O O B PRO AJ 16 50 ? -4.607 42.849 -21.155 0.60 59.29 ? 50 PRO v O 1 ? ? +47560 ATOM C CB A PRO AJ 16 50 ? -5.803 40.325 -19.738 0.40 58.00 ? 50 PRO v CB 1 ? ? +47561 ATOM C CB B PRO AJ 16 50 ? -5.837 40.314 -19.782 0.60 58.01 ? 50 PRO v CB 1 ? ? +47562 ATOM C CG A PRO AJ 16 50 ? -6.834 39.646 -18.863 0.40 57.81 ? 50 PRO v CG 1 ? ? +47563 ATOM C CG B PRO AJ 16 50 ? -6.812 39.650 -18.845 0.60 57.79 ? 50 PRO v CG 1 ? ? +47564 ATOM C CD A PRO AJ 16 50 ? -8.081 40.399 -19.142 0.40 58.44 ? 50 PRO v CD 1 ? ? +47565 ATOM C CD B PRO AJ 16 50 ? -8.071 40.400 -19.091 0.60 58.44 ? 50 PRO v CD 1 ? ? +47566 ATOM N N . SER AJ 16 51 ? -6.765 42.834 -21.819 1.00 59.76 ? 51 SER v N 1 ? ? +47567 ATOM C CA . SER AJ 16 51 ? -6.515 43.576 -23.048 1.00 60.28 ? 51 SER v CA 1 ? ? +47568 ATOM C CB . SER AJ 16 51 ? -7.762 43.587 -23.926 1.00 60.52 ? 51 SER v CB 1 ? ? +47569 ATOM O OG . SER AJ 16 51 ? -7.953 42.289 -24.446 1.00 59.89 ? 51 SER v OG 1 ? ? +47570 ATOM C C . SER AJ 16 51 ? -6.046 45.014 -22.838 1.00 61.15 ? 51 SER v C 1 ? ? +47571 ATOM O O . SER AJ 16 51 ? -5.428 45.581 -23.727 1.00 61.42 ? 51 SER v O 1 ? ? +47572 ATOM N N . LEU AJ 16 52 ? -6.381 45.604 -21.684 1.00 61.73 ? 52 LEU v N 1 ? ? +47573 ATOM C CA . LEU AJ 16 52 ? -5.990 46.965 -21.356 1.00 62.61 ? 52 LEU v CA 1 ? ? +47574 ATOM C CB . LEU AJ 16 52 ? -7.219 47.793 -21.003 1.00 63.36 ? 52 LEU v CB 1 ? ? +47575 ATOM C CG . LEU AJ 16 52 ? -8.220 47.987 -22.136 1.00 63.81 ? 52 LEU v CG 1 ? ? +47576 ATOM C CD1 . LEU AJ 16 52 ? -9.440 48.736 -21.670 1.00 64.45 ? 52 LEU v CD1 1 ? ? +47577 ATOM C CD2 . LEU AJ 16 52 ? -7.574 48.710 -23.297 1.00 64.21 ? 52 LEU v CD2 1 ? ? +47578 ATOM C C . LEU AJ 16 52 ? -5.029 46.975 -20.174 1.00 62.61 ? 52 LEU v C 1 ? ? +47579 ATOM O O . LEU AJ 16 52 ? -5.360 46.480 -19.100 1.00 62.31 ? 52 LEU v O 1 ? ? +47580 ATOM N N . ASP AJ 16 53 ? -3.841 47.553 -20.387 1.00 63.04 ? 53 ASP v N 1 ? ? +47581 ATOM C CA . ASP AJ 16 53 ? -2.841 47.648 -19.337 1.00 63.11 ? 53 ASP v CA 1 ? ? +47582 ATOM C CB . ASP AJ 16 53 ? -1.556 46.944 -19.759 1.00 62.50 ? 53 ASP v CB 1 ? ? +47583 ATOM C CG . ASP AJ 16 53 ? -0.965 47.436 -21.048 1.00 62.78 ? 53 ASP v CG 1 ? ? +47584 ATOM O OD1 . ASP AJ 16 53 ? -0.950 48.651 -21.260 1.00 63.39 ? 53 ASP v OD1 1 ? ? +47585 ATOM O OD2 . ASP AJ 16 53 ? -0.487 46.598 -21.837 1.00 62.43 ? 53 ASP v OD2 1 ? ? +47586 ATOM C C . ASP AJ 16 53 ? -2.585 49.107 -18.975 1.00 64.26 ? 53 ASP v C 1 ? ? +47587 ATOM O O . ASP AJ 16 53 ? -3.202 50.012 -19.533 1.00 64.90 ? 53 ASP v O 1 ? ? +47588 ATOM N N . LEU AJ 16 54 ? -1.675 49.315 -18.018 1.00 64.73 ? 54 LEU v N 1 ? ? +47589 ATOM C CA . LEU AJ 16 54 ? -1.263 50.645 -17.598 1.00 65.74 ? 54 LEU v CA 1 ? ? +47590 ATOM C CB . LEU AJ 16 54 ? -1.279 50.696 -16.061 1.00 65.68 ? 54 LEU v CB 1 ? ? +47591 ATOM C CG . LEU AJ 16 54 ? -2.598 50.284 -15.396 1.00 65.51 ? 54 LEU v CG 1 ? ? +47592 ATOM C CD1 . LEU AJ 16 54 ? -2.569 50.523 -13.917 1.00 65.58 ? 54 LEU v CD1 1 ? ? +47593 ATOM C CD2 . LEU AJ 16 54 ? -3.773 51.018 -16.004 1.00 66.15 ? 54 LEU v CD2 1 ? ? +47594 ATOM C C . LEU AJ 16 54 ? 0.117 51.035 -18.130 1.00 66.28 ? 54 LEU v C 1 ? ? +47595 ATOM O O . LEU AJ 16 54 ? 0.806 51.851 -17.528 1.00 66.86 ? 54 LEU v O 1 ? ? +47596 ATOM N N . ARG AJ 16 55 ? 0.526 50.456 -19.263 1.00 66.49 ? 55 ARG v N 1 ? ? +47597 ATOM C CA . ARG AJ 16 55 ? 1.720 50.911 -19.952 1.00 67.30 ? 55 ARG v CA 1 ? ? +47598 ATOM C CB . ARG AJ 16 55 ? 2.071 50.007 -21.126 1.00 67.12 ? 55 ARG v CB 1 ? ? +47599 ATOM C CG . ARG AJ 16 55 ? 2.616 48.664 -20.753 1.00 66.62 ? 55 ARG v CG 1 ? ? +47600 ATOM C CD . ARG AJ 16 55 ? 3.038 47.945 -22.017 1.00 66.78 ? 55 ARG v CD 1 ? ? +47601 ATOM N NE . ARG AJ 16 55 ? 3.607 46.632 -21.735 1.00 66.80 ? 55 ARG v NE 1 ? ? +47602 ATOM C CZ . ARG AJ 16 55 ? 4.891 46.304 -21.881 1.00 67.39 ? 55 ARG v CZ 1 ? ? +47603 ATOM N NH1 . ARG AJ 16 55 ? 5.760 47.130 -22.455 1.00 68.40 ? 55 ARG v NH1 1 ? ? +47604 ATOM N NH2 . ARG AJ 16 55 ? 5.323 45.141 -21.389 1.00 66.59 ? 55 ARG v NH2 1 ? ? +47605 ATOM C C . ARG AJ 16 55 ? 1.509 52.332 -20.462 1.00 68.59 ? 55 ARG v C 1 ? ? +47606 ATOM O O . ARG AJ 16 55 ? 0.417 52.686 -20.899 1.00 69.21 ? 55 ARG v O 1 ? ? +47607 ATOM N N . THR AJ 16 56 ? 2.572 53.140 -20.400 1.00 69.52 ? 56 THR v N 1 ? ? +47608 ATOM C CA . THR AJ 16 56 ? 2.548 54.506 -20.894 1.00 70.50 ? 56 THR v CA 1 ? ? +47609 ATOM C CB . THR AJ 16 56 ? 3.952 55.103 -20.676 1.00 70.82 ? 56 THR v CB 1 ? ? +47610 ATOM O OG1 . THR AJ 16 56 ? 4.167 55.152 -19.270 1.00 70.76 ? 56 THR v OG1 1 ? ? +47611 ATOM C CG2 . THR AJ 16 56 ? 4.128 56.490 -21.268 1.00 71.79 ? 56 THR v CG2 1 ? ? +47612 ATOM C C . THR AJ 16 56 ? 2.063 54.561 -22.343 1.00 70.78 ? 56 THR v C 1 ? ? +47613 ATOM O O . THR AJ 16 56 ? 1.285 55.441 -22.700 1.00 71.33 ? 56 THR v O 1 ? ? +47614 ATOM N N . GLU AJ 16 57 ? 2.526 53.608 -23.159 1.00 70.45 ? 57 GLU v N 1 ? ? +47615 ATOM C CA . GLU AJ 16 57 ? 2.201 53.572 -24.575 1.00 70.81 ? 57 GLU v CA 1 ? ? +47616 ATOM C CB . GLU AJ 16 57 ? 2.976 52.463 -25.284 1.00 70.94 ? 57 GLU v CB 1 ? ? +47617 ATOM C CG . GLU AJ 16 57 ? 4.480 52.628 -25.249 1.00 71.92 ? 57 GLU v CG 1 ? ? +47618 ATOM C CD . GLU AJ 16 57 ? 5.171 52.208 -23.962 1.00 72.68 ? 57 GLU v CD 1 ? ? +47619 ATOM O OE1 . GLU AJ 16 57 ? 4.531 51.508 -23.140 1.00 72.50 ? 57 GLU v OE1 1 ? ? +47620 ATOM O OE2 . GLU AJ 16 57 ? 6.352 52.601 -23.769 1.00 74.13 ? 57 GLU v OE2 1 ? ? +47621 ATOM C C . GLU AJ 16 57 ? 0.708 53.347 -24.795 1.00 70.19 ? 57 GLU v C 1 ? ? +47622 ATOM O O . GLU AJ 16 57 ? 0.109 53.951 -25.678 1.00 70.75 ? 57 GLU v O 1 ? ? +47623 ATOM N N . THR AJ 16 58 ? 0.127 52.450 -23.997 1.00 69.01 ? 58 THR v N 1 ? ? +47624 ATOM C CA . THR AJ 16 58 ? -1.299 52.186 -24.025 1.00 68.52 ? 58 THR v CA 1 ? ? +47625 ATOM C CB . THR AJ 16 58 ? -1.639 51.002 -23.122 1.00 67.62 ? 58 THR v CB 1 ? ? +47626 ATOM O OG1 . THR AJ 16 58 ? -0.756 49.921 -23.434 1.00 66.56 ? 58 THR v OG1 1 ? ? +47627 ATOM C CG2 . THR AJ 16 58 ? -3.111 50.565 -23.263 1.00 67.50 ? 58 THR v CG2 1 ? ? +47628 ATOM C C . THR AJ 16 58 ? -2.091 53.413 -23.593 1.00 69.08 ? 58 THR v C 1 ? ? +47629 ATOM O O . THR AJ 16 58 ? -3.091 53.746 -24.211 1.00 69.37 ? 58 THR v O 1 ? ? +47630 ATOM N N . LEU AJ 16 59 ? -1.639 54.067 -22.518 1.00 69.22 ? 59 LEU v N 1 ? ? +47631 ATOM C CA . LEU AJ 16 59 ? -2.310 55.246 -21.992 1.00 69.79 ? 59 LEU v CA 1 ? ? +47632 ATOM C CB . LEU AJ 16 59 ? -1.649 55.663 -20.666 1.00 69.95 ? 59 LEU v CB 1 ? ? +47633 ATOM C CG . LEU AJ 16 59 ? -1.794 54.705 -19.498 1.00 69.30 ? 59 LEU v CG 1 ? ? +47634 ATOM C CD1 . LEU AJ 16 59 ? -0.930 55.138 -18.331 1.00 69.49 ? 59 LEU v CD1 1 ? ? +47635 ATOM C CD2 . LEU AJ 16 59 ? -3.222 54.614 -19.047 1.00 69.36 ? 59 LEU v CD2 1 ? ? +47636 ATOM C C . LEU AJ 16 59 ? -2.280 56.423 -22.968 1.00 70.42 ? 59 LEU v C 1 ? ? +47637 ATOM O O . LEU AJ 16 59 ? -3.203 57.235 -22.985 1.00 71.03 ? 59 LEU v O 1 ? ? +47638 ATOM N N . ALA AJ 16 60 ? -1.202 56.509 -23.762 1.00 70.30 ? 60 ALA v N 1 ? ? +47639 ATOM C CA . ALA AJ 16 60 ? -1.038 57.545 -24.770 1.00 70.88 ? 60 ALA v CA 1 ? ? +47640 ATOM C CB . ALA AJ 16 60 ? 0.341 57.458 -25.395 1.00 70.72 ? 60 ALA v CB 1 ? ? +47641 ATOM C C . ALA AJ 16 60 ? -2.098 57.461 -25.864 1.00 70.94 ? 60 ALA v C 1 ? ? +47642 ATOM O O . ALA AJ 16 60 ? -2.555 58.492 -26.351 1.00 71.85 ? 60 ALA v O 1 ? ? +47643 ATOM N N . LEU AJ 16 61 ? -2.481 56.234 -26.238 1.00 70.05 ? 61 LEU v N 1 ? ? +47644 ATOM C CA . LEU AJ 16 61 ? -3.450 56.022 -27.303 1.00 70.11 ? 61 LEU v CA 1 ? ? +47645 ATOM C CB . LEU AJ 16 61 ? -3.084 54.732 -28.031 1.00 69.22 ? 61 LEU v CB 1 ? ? +47646 ATOM C CG . LEU AJ 16 61 ? -1.833 54.764 -28.884 1.00 69.17 ? 61 LEU v CG 1 ? ? +47647 ATOM C CD1 . LEU AJ 16 61 ? -1.607 53.438 -29.538 1.00 68.37 ? 61 LEU v CD1 1 ? ? +47648 ATOM C CD2 . LEU AJ 16 61 ? -1.917 55.821 -29.947 1.00 70.07 ? 61 LEU v CD2 1 ? ? +47649 ATOM C C . LEU AJ 16 61 ? -4.904 55.963 -26.827 1.00 70.26 ? 61 LEU v C 1 ? ? +47650 ATOM O O . LEU AJ 16 61 ? -5.817 55.774 -27.629 1.00 70.42 ? 61 LEU v O 1 ? ? +47651 ATOM N N . ALA AJ 16 62 ? -5.116 56.142 -25.519 1.00 70.25 ? 62 ALA v N 1 ? ? +47652 ATOM C CA . ALA AJ 16 62 ? -6.449 56.250 -24.964 1.00 70.45 ? 62 ALA v CA 1 ? ? +47653 ATOM C CB . ALA AJ 16 62 ? -6.407 56.165 -23.455 1.00 70.18 ? 62 ALA v CB 1 ? ? +47654 ATOM C C . ALA AJ 16 62 ? -7.052 57.577 -25.411 1.00 71.72 ? 62 ALA v C 1 ? ? +47655 ATOM O O . ALA AJ 16 62 ? -6.320 58.471 -25.838 1.00 72.37 ? 62 ALA v O 1 ? ? +47656 ATOM N N . THR AJ 16 63 ? -8.390 57.678 -25.322 1.00 72.03 ? 63 THR v N 1 ? ? +47657 ATOM C CA . THR AJ 16 63 ? -9.110 58.899 -25.635 1.00 72.99 ? 63 THR v CA 1 ? ? +47658 ATOM C CB . THR AJ 16 63 ? -9.976 58.691 -26.871 1.00 73.24 ? 63 THR v CB 1 ? ? +47659 ATOM O OG1 . THR AJ 16 63 ? -9.152 58.242 -27.955 1.00 72.95 ? 63 THR v OG1 1 ? ? +47660 ATOM C CG2 . THR AJ 16 63 ? -10.719 59.961 -27.278 1.00 74.33 ? 63 THR v CG2 1 ? ? +47661 ATOM C C . THR AJ 16 63 ? -9.946 59.340 -24.435 1.00 73.33 ? 63 THR v C 1 ? ? +47662 ATOM O O . THR AJ 16 63 ? -10.805 58.594 -23.979 1.00 73.11 ? 63 THR v O 1 ? ? +47663 ATOM N N . PRO AJ 16 64 ? -9.719 60.535 -23.844 1.00 74.01 ? 64 PRO v N 1 ? ? +47664 ATOM C CA . PRO AJ 16 64 ? -8.579 61.390 -24.172 1.00 74.50 ? 64 PRO v CA 1 ? ? +47665 ATOM C CB . PRO AJ 16 64 ? -8.929 62.705 -23.496 1.00 75.40 ? 64 PRO v CB 1 ? ? +47666 ATOM C CG . PRO AJ 16 64 ? -9.790 62.314 -22.354 1.00 75.17 ? 64 PRO v CG 1 ? ? +47667 ATOM C CD . PRO AJ 16 64 ? -10.573 61.117 -22.803 1.00 74.47 ? 64 PRO v CD 1 ? ? +47668 ATOM C C . PRO AJ 16 64 ? -7.288 60.791 -23.623 1.00 73.97 ? 64 PRO v C 1 ? ? +47669 ATOM O O . PRO AJ 16 64 ? -7.333 59.865 -22.816 1.00 73.35 ? 64 PRO v O 1 ? ? +47670 ATOM N N . PRO AJ 16 65 ? -6.103 61.295 -24.029 1.00 74.24 ? 65 PRO v N 1 ? ? +47671 ATOM C CA . PRO AJ 16 65 ? -4.838 60.707 -23.587 1.00 73.66 ? 65 PRO v CA 1 ? ? +47672 ATOM C CB . PRO AJ 16 65 ? -3.785 61.642 -24.184 1.00 74.33 ? 65 PRO v CB 1 ? ? +47673 ATOM C CG . PRO AJ 16 65 ? -4.484 62.333 -25.333 1.00 75.03 ? 65 PRO v CG 1 ? ? +47674 ATOM C CD . PRO AJ 16 65 ? -5.923 62.447 -24.925 1.00 75.20 ? 65 PRO v CD 1 ? ? +47675 ATOM C C . PRO AJ 16 65 ? -4.739 60.620 -22.066 1.00 73.39 ? 65 PRO v C 1 ? ? +47676 ATOM O O . PRO AJ 16 65 ? -5.166 61.531 -21.361 1.00 74.12 ? 65 PRO v O 1 ? ? +47677 ATOM N N . ARG AJ 16 66 ? -4.187 59.505 -21.578 1.00 72.46 ? 66 ARG v N 1 ? ? +47678 ATOM C CA . ARG AJ 16 66 ? -4.038 59.270 -20.153 1.00 72.13 ? 66 ARG v CA 1 ? ? +47679 ATOM C CB . ARG AJ 16 66 ? -4.816 57.994 -19.777 1.00 71.23 ? 66 ARG v CB 1 ? ? +47680 ATOM C CG . ARG AJ 16 66 ? -6.292 57.971 -20.229 1.00 71.36 ? 66 ARG v CG 1 ? ? +47681 ATOM C CD . ARG AJ 16 66 ? -7.135 59.037 -19.566 1.00 72.08 ? 66 ARG v CD 1 ? ? +47682 ATOM N NE . ARG AJ 16 66 ? -8.551 58.924 -19.900 1.00 72.20 ? 66 ARG v NE 1 ? ? +47683 ATOM C CZ . ARG AJ 16 66 ? -9.505 59.689 -19.383 1.00 72.83 ? 66 ARG v CZ 1 ? ? +47684 ATOM N NH1 . ARG AJ 16 66 ? -9.220 60.685 -18.559 1.00 73.39 ? 66 ARG v NH1 1 ? ? +47685 ATOM N NH2 . ARG AJ 16 66 ? -10.777 59.443 -19.690 1.00 73.01 ? 66 ARG v NH2 1 ? ? +47686 ATOM C C . ARG AJ 16 66 ? -2.565 59.157 -19.747 1.00 72.07 ? 66 ARG v C 1 ? ? +47687 ATOM O O . ARG AJ 16 66 ? -2.262 58.734 -18.640 1.00 71.84 ? 66 ARG v O 1 ? ? +47688 ATOM N N . ASP AJ 16 67 ? -1.643 59.569 -20.630 1.00 72.48 ? 67 ASP v N 1 ? ? +47689 ATOM C CA . ASP AJ 16 67 ? -0.213 59.435 -20.380 1.00 72.27 ? 67 ASP v CA 1 ? ? +47690 ATOM C CB . ASP AJ 16 67 ? 0.526 59.119 -21.689 1.00 72.04 ? 67 ASP v CB 1 ? ? +47691 ATOM C CG . ASP AJ 16 67 ? 0.478 60.198 -22.737 1.00 72.92 ? 67 ASP v CG 1 ? ? +47692 ATOM O OD1 . ASP AJ 16 67 ? -0.529 60.922 -22.790 1.00 73.61 ? 67 ASP v OD1 1 ? ? +47693 ATOM O OD2 . ASP AJ 16 67 ? 1.429 60.288 -23.536 1.00 73.08 ? 67 ASP v OD2 1 ? ? +47694 ATOM C C . ASP AJ 16 67 ? 0.364 60.689 -19.729 1.00 73.34 ? 67 ASP v C 1 ? ? +47695 ATOM O O . ASP AJ 16 67 ? 1.462 61.125 -20.069 1.00 73.65 ? 67 ASP v O 1 ? ? +47696 ATOM N N . ASN AJ 16 68 ? -0.396 61.259 -18.787 1.00 74.06 ? 68 ASN v N 1 ? ? +47697 ATOM C CA . ASN AJ 16 68 ? -0.002 62.462 -18.075 1.00 75.06 ? 68 ASN v CA 1 ? ? +47698 ATOM C CB . ASN AJ 16 68 ? -0.179 63.693 -18.943 1.00 76.25 ? 68 ASN v CB 1 ? ? +47699 ATOM C CG . ASN AJ 16 68 ? -1.605 63.918 -19.400 1.00 76.82 ? 68 ASN v CG 1 ? ? +47700 ATOM O OD1 . ASN AJ 16 68 ? -2.469 64.408 -18.646 1.00 77.22 ? 68 ASN v OD1 1 ? ? +47701 ATOM N ND2 . ASN AJ 16 68 ? -1.870 63.606 -20.667 1.00 76.89 ? 68 ASN v ND2 1 ? ? +47702 ATOM C C . ASN AJ 16 68 ? -0.839 62.541 -16.805 1.00 75.19 ? 68 ASN v C 1 ? ? +47703 ATOM O O . ASN AJ 16 68 ? -1.833 61.834 -16.694 1.00 74.93 ? 68 ASN v O 1 ? ? +47704 ATOM N N . ILE AJ 16 69 ? -0.426 63.398 -15.863 1.00 75.85 ? 69 ILE v N 1 ? ? +47705 ATOM C CA . ILE AJ 16 69 ? -1.042 63.470 -14.546 1.00 75.96 ? 69 ILE v CA 1 ? ? +47706 ATOM C CB . ILE AJ 16 69 ? -0.251 64.450 -13.630 1.00 76.58 ? 69 ILE v CB 1 ? ? +47707 ATOM C CG1 . ILE AJ 16 69 ? 1.170 63.945 -13.336 1.00 76.04 ? 69 ILE v CG1 1 ? ? +47708 ATOM C CG2 . ILE AJ 16 69 ? -0.999 64.738 -12.326 1.00 76.86 ? 69 ILE v CG2 1 ? ? +47709 ATOM C CD1 . ILE AJ 16 69 ? 1.254 62.776 -12.451 1.00 75.16 ? 69 ILE v CD1 1 ? ? +47710 ATOM C C . ILE AJ 16 69 ? -2.513 63.873 -14.625 1.00 76.50 ? 69 ILE v C 1 ? ? +47711 ATOM O O . ILE AJ 16 69 ? -3.363 63.247 -14.001 1.00 76.32 ? 69 ILE v O 1 ? ? +47712 ATOM N N . GLU AJ 16 70 ? -2.807 64.931 -15.387 1.00 77.34 ? 70 GLU v N 1 ? ? +47713 ATOM C CA . GLU AJ 16 70 ? -4.167 65.433 -15.486 1.00 77.94 ? 70 GLU v CA 1 ? ? +47714 ATOM C CB . GLU AJ 16 70 ? -4.182 66.774 -16.223 1.00 79.19 ? 70 GLU v CB 1 ? ? +47715 ATOM C CG . GLU AJ 16 70 ? -3.682 67.883 -15.317 1.00 80.06 ? 70 GLU v CG 1 ? ? +47716 ATOM C CD . GLU AJ 16 70 ? -3.671 69.269 -15.906 1.00 81.10 ? 70 GLU v CD 1 ? ? +47717 ATOM O OE1 . GLU AJ 16 70 ? -3.791 69.399 -17.147 1.00 81.32 ? 70 GLU v OE1 1 ? ? +47718 ATOM O OE2 . GLU AJ 16 70 ? -3.548 70.227 -15.112 1.00 81.73 ? 70 GLU v OE2 1 ? ? +47719 ATOM C C . GLU AJ 16 70 ? -5.110 64.429 -16.140 1.00 77.21 ? 70 GLU v C 1 ? ? +47720 ATOM O O . GLU AJ 16 70 ? -6.262 64.318 -15.741 1.00 77.35 ? 70 GLU v O 1 ? ? +47721 ATOM N N . GLY AJ 16 71 ? -4.612 63.706 -17.144 1.00 76.48 ? 71 GLY v N 1 ? ? +47722 ATOM C CA . GLY AJ 16 71 ? -5.382 62.658 -17.790 1.00 75.75 ? 71 GLY v CA 1 ? ? +47723 ATOM C C . GLY AJ 16 71 ? -5.752 61.527 -16.835 1.00 74.88 ? 71 GLY v C 1 ? ? +47724 ATOM O O . GLY AJ 16 71 ? -6.873 61.026 -16.886 1.00 74.84 ? 71 GLY v O 1 ? ? +47725 ATOM N N . LEU AJ 16 72 ? -4.800 61.134 -15.974 1.00 74.17 ? 72 LEU v N 1 ? ? +47726 ATOM C CA . LEU AJ 16 72 ? -5.002 60.035 -15.044 1.00 73.18 ? 72 LEU v CA 1 ? ? +47727 ATOM C CB . LEU AJ 16 72 ? -3.668 59.495 -14.539 1.00 72.69 ? 72 LEU v CB 1 ? ? +47728 ATOM C CG . LEU AJ 16 72 ? -2.875 58.665 -15.520 1.00 72.15 ? 72 LEU v CG 1 ? ? +47729 ATOM C CD1 . LEU AJ 16 72 ? -1.574 58.175 -14.912 1.00 71.76 ? 72 LEU v CD1 1 ? ? +47730 ATOM C CD2 . LEU AJ 16 72 ? -3.666 57.479 -15.986 1.00 71.48 ? 72 LEU v CD2 1 ? ? +47731 ATOM C C . LEU AJ 16 72 ? -5.844 60.462 -13.850 1.00 73.36 ? 72 LEU v C 1 ? ? +47732 ATOM O O . LEU AJ 16 72 ? -6.628 59.674 -13.336 1.00 72.79 ? 72 LEU v O 1 ? ? +47733 ATOM N N . VAL AJ 16 73 ? -5.658 61.707 -13.409 1.00 74.15 ? 73 VAL v N 1 ? ? +47734 ATOM C CA . VAL AJ 16 73 ? -6.452 62.256 -12.326 1.00 74.68 ? 73 VAL v CA 1 ? ? +47735 ATOM C CB . VAL AJ 16 73 ? -5.891 63.614 -11.850 1.00 75.48 ? 73 VAL v CB 1 ? ? +47736 ATOM C CG1 . VAL AJ 16 73 ? -6.845 64.306 -10.865 1.00 76.09 ? 73 VAL v CG1 1 ? ? +47737 ATOM C CG2 . VAL AJ 16 73 ? -4.520 63.433 -11.234 1.00 75.15 ? 73 VAL v CG2 1 ? ? +47738 ATOM C C . VAL AJ 16 73 ? -7.911 62.358 -12.762 1.00 75.04 ? 73 VAL v C 1 ? ? +47739 ATOM O O . VAL AJ 16 73 ? -8.805 62.057 -11.983 1.00 74.95 ? 73 VAL v O 1 ? ? +47740 ATOM N N . ASP AJ 16 74 ? -8.130 62.785 -14.011 1.00 75.46 ? 74 ASP v N 1 ? ? +47741 ATOM C CA . ASP AJ 16 74 ? -9.459 62.859 -14.595 1.00 75.77 ? 74 ASP v CA 1 ? ? +47742 ATOM C CB . ASP AJ 16 74 ? -9.383 63.500 -15.988 1.00 76.50 ? 74 ASP v CB 1 ? ? +47743 ATOM C CG . ASP AJ 16 74 ? -10.708 63.616 -16.686 1.00 77.16 ? 74 ASP v CG 1 ? ? +47744 ATOM O OD1 . ASP AJ 16 74 ? -11.534 64.430 -16.247 1.00 78.19 ? 74 ASP v OD1 1 ? ? +47745 ATOM O OD2 . ASP AJ 16 74 ? -10.928 62.876 -17.663 1.00 77.00 ? 74 ASP v OD2 1 ? ? +47746 ATOM C C . ASP AJ 16 74 ? -10.108 61.481 -14.688 1.00 74.65 ? 74 ASP v C 1 ? ? +47747 ATOM O O . ASP AJ 16 74 ? -11.284 61.339 -14.376 1.00 74.90 ? 74 ASP v O 1 ? ? +47748 ATOM N N . TYR AJ 16 75 ? -9.330 60.477 -15.112 1.00 73.46 ? 75 TYR v N 1 ? ? +47749 ATOM C CA . TYR AJ 16 75 ? -9.797 59.102 -15.193 1.00 72.36 ? 75 TYR v CA 1 ? ? +47750 ATOM C CB . TYR AJ 16 75 ? -8.680 58.188 -15.739 1.00 71.39 ? 75 TYR v CB 1 ? ? +47751 ATOM C CG . TYR AJ 16 75 ? -9.175 56.803 -16.089 1.00 70.41 ? 75 TYR v CG 1 ? ? +47752 ATOM C CD1 . TYR AJ 16 75 ? -9.186 55.790 -15.146 1.00 69.64 ? 75 TYR v CD1 1 ? ? +47753 ATOM C CD2 . TYR AJ 16 75 ? -9.705 56.528 -17.341 1.00 70.28 ? 75 TYR v CD2 1 ? ? +47754 ATOM C CE1 . TYR AJ 16 75 ? -9.672 54.525 -15.450 1.00 68.88 ? 75 TYR v CE1 1 ? ? +47755 ATOM C CE2 . TYR AJ 16 75 ? -10.201 55.273 -17.655 1.00 69.56 ? 75 TYR v CE2 1 ? ? +47756 ATOM C CZ . TYR AJ 16 75 ? -10.186 54.269 -16.708 1.00 68.88 ? 75 TYR v CZ 1 ? ? +47757 ATOM O OH . TYR AJ 16 75 ? -10.673 53.019 -17.032 1.00 68.16 ? 75 TYR v OH 1 ? ? +47758 ATOM C C . TYR AJ 16 75 ? -10.296 58.555 -13.856 1.00 72.11 ? 75 TYR v C 1 ? ? +47759 ATOM O O . TYR AJ 16 75 ? -11.252 57.786 -13.816 1.00 71.92 ? 75 TYR v O 1 ? ? +47760 ATOM N N . MET AJ 16 76 ? -9.628 58.934 -12.761 1.00 72.19 ? 76 MET v N 1 ? ? +47761 ATOM C CA . MET AJ 16 76 ? -9.978 58.459 -11.431 1.00 71.87 ? 76 MET v CA 1 ? ? +47762 ATOM C CB . MET AJ 16 76 ? -8.783 58.611 -10.492 1.00 71.77 ? 76 MET v CB 1 ? ? +47763 ATOM C CG . MET AJ 16 76 ? -7.657 57.669 -10.811 1.00 70.96 ? 76 MET v CG 1 ? ? +47764 ATOM S SD . MET AJ 16 76 ? -6.308 57.854 -9.646 1.00 70.92 ? 76 MET v SD 1 ? ? +47765 ATOM C CE . MET AJ 16 76 ? -5.006 58.184 -10.740 1.00 70.98 ? 76 MET v CE 1 ? ? +47766 ATOM C C . MET AJ 16 76 ? -11.168 59.230 -10.870 1.00 72.63 ? 76 MET v C 1 ? ? +47767 ATOM O O . MET AJ 16 76 ? -11.741 58.836 -9.857 1.00 72.50 ? 76 MET v O 1 ? ? +47768 ATOM N N . LYS AJ 16 77 ? -11.507 60.349 -11.520 1.00 73.45 ? 77 LYS v N 1 ? ? +47769 ATOM C CA . LYS AJ 16 77 ? -12.711 61.096 -11.206 1.00 74.23 ? 77 LYS v CA 1 ? ? +47770 ATOM C CB . LYS AJ 16 77 ? -12.501 62.590 -11.438 1.00 75.22 ? 77 LYS v CB 1 ? ? +47771 ATOM C CG . LYS AJ 16 77 ? -11.593 63.246 -10.430 1.00 75.52 ? 77 LYS v CG 1 ? ? +47772 ATOM C CD . LYS AJ 16 77 ? -11.487 64.720 -10.675 1.00 76.54 ? 77 LYS v CD 1 ? ? +47773 ATOM C CE . LYS AJ 16 77 ? -10.405 65.366 -9.867 1.00 76.87 ? 77 LYS v CE 1 ? ? +47774 ATOM N NZ . LYS AJ 16 77 ? -10.224 66.775 -10.275 1.00 77.86 ? 77 LYS v NZ 1 ? ? +47775 ATOM C C . LYS AJ 16 77 ? -13.879 60.616 -12.057 1.00 74.19 ? 77 LYS v C 1 ? ? +47776 ATOM O O . LYS AJ 16 77 ? -14.979 60.425 -11.548 1.00 74.50 ? 77 LYS v O 1 ? ? +47777 ATOM N N . ASN AJ 16 78 ? -13.627 60.425 -13.355 1.00 73.99 ? 78 ASN v N 1 ? ? +47778 ATOM C CA . ASN AJ 16 78 ? -14.681 60.071 -14.284 1.00 74.08 ? 78 ASN v CA 1 ? ? +47779 ATOM C CB . ASN AJ 16 78 ? -15.324 61.332 -14.863 1.00 75.30 ? 78 ASN v CB 1 ? ? +47780 ATOM C CG . ASN AJ 16 78 ? -16.550 61.008 -15.674 1.00 75.60 ? 78 ASN v CG 1 ? ? +47781 ATOM O OD1 . ASN AJ 16 78 ? -17.321 60.103 -15.333 1.00 75.49 ? 78 ASN v OD1 1 ? ? +47782 ATOM N ND2 . ASN AJ 16 78 ? -16.738 61.687 -16.779 1.00 76.19 ? 78 ASN v ND2 1 ? ? +47783 ATOM C C . ASN AJ 16 78 ? -14.151 59.165 -15.387 1.00 73.17 ? 78 ASN v C 1 ? ? +47784 ATOM O O . ASN AJ 16 78 ? -13.879 59.626 -16.491 1.00 73.46 ? 78 ASN v O 1 ? ? +47785 ATOM N N . PRO AJ 16 79 ? -14.017 57.846 -15.126 1.00 72.15 ? 79 PRO v N 1 ? ? +47786 ATOM C CA . PRO AJ 16 79 ? -13.419 56.928 -16.093 1.00 71.39 ? 79 PRO v CA 1 ? ? +47787 ATOM C CB . PRO AJ 16 79 ? -13.221 55.654 -15.277 1.00 70.44 ? 79 PRO v CB 1 ? ? +47788 ATOM C CG . PRO AJ 16 79 ? -14.250 55.713 -14.212 1.00 70.71 ? 79 PRO v CG 1 ? ? +47789 ATOM C CD . PRO AJ 16 79 ? -14.452 57.164 -13.897 1.00 71.75 ? 79 PRO v CD 1 ? ? +47790 ATOM C C . PRO AJ 16 79 ? -14.300 56.688 -17.319 1.00 71.54 ? 79 PRO v C 1 ? ? +47791 ATOM O O . PRO AJ 16 79 ? -15.530 56.703 -17.235 1.00 71.88 ? 79 PRO v O 1 ? ? +47792 ATOM N N . THR AJ 16 80 ? -13.633 56.466 -18.457 1.00 71.20 ? 80 THR v N 1 ? ? +47793 ATOM C CA . THR AJ 16 80 ? -14.289 56.190 -19.720 1.00 71.14 ? 80 THR v CA 1 ? ? +47794 ATOM C CB . THR AJ 16 80 ? -14.146 57.380 -20.686 1.00 71.95 ? 80 THR v CB 1 ? ? +47795 ATOM O OG1 . THR AJ 16 80 ? -12.769 57.595 -20.991 1.00 71.87 ? 80 THR v OG1 1 ? ? +47796 ATOM C CG2 . THR AJ 16 80 ? -14.735 58.649 -20.129 1.00 72.90 ? 80 THR v CG2 1 ? ? +47797 ATOM C C . THR AJ 16 80 ? -13.691 54.916 -20.306 1.00 70.10 ? 80 THR v C 1 ? ? +47798 ATOM O O . THR AJ 16 80 ? -12.669 54.428 -19.830 1.00 69.40 ? 80 THR v O 1 ? ? +47799 ATOM N N . THR AJ 16 81 ? -14.361 54.382 -21.333 1.00 69.94 ? 81 THR v N 1 ? ? +47800 ATOM C CA . THR AJ 16 81 ? -13.803 53.329 -22.161 1.00 69.08 ? 81 THR v CA 1 ? ? +47801 ATOM C CB . THR AJ 16 81 ? -14.868 52.785 -23.102 1.00 69.06 ? 81 THR v CB 1 ? ? +47802 ATOM O OG1 . THR AJ 16 81 ? -15.430 53.884 -23.808 1.00 69.90 ? 81 THR v OG1 1 ? ? +47803 ATOM C CG2 . THR AJ 16 81 ? -15.959 52.035 -22.369 1.00 68.88 ? 81 THR v CG2 1 ? ? +47804 ATOM C C . THR AJ 16 81 ? -12.601 53.896 -22.909 1.00 69.19 ? 81 THR v C 1 ? ? +47805 ATOM O O . THR AJ 16 81 ? -12.352 55.097 -22.885 1.00 69.86 ? 81 THR v O 1 ? ? +47806 ATOM N N . TYR AJ 16 82 ? -11.871 53.016 -23.591 1.00 68.67 ? 82 TYR v N 1 ? ? +47807 ATOM C CA . TYR AJ 16 82 ? -10.601 53.370 -24.197 1.00 68.74 ? 82 TYR v CA 1 ? ? +47808 ATOM C CB . TYR AJ 16 82 ? -9.966 52.101 -24.747 1.00 67.84 ? 82 TYR v CB 1 ? ? +47809 ATOM C CG . TYR AJ 16 82 ? -8.501 52.237 -25.072 1.00 67.70 ? 82 TYR v CG 1 ? ? +47810 ATOM C CD1 . TYR AJ 16 82 ? -7.571 52.505 -24.080 1.00 67.58 ? 82 TYR v CD1 1 ? ? +47811 ATOM C CD2 . TYR AJ 16 82 ? -8.040 52.081 -26.371 1.00 67.68 ? 82 TYR v CD2 1 ? ? +47812 ATOM C CE1 . TYR AJ 16 82 ? -6.221 52.625 -24.373 1.00 67.48 ? 82 TYR v CE1 1 ? ? +47813 ATOM C CE2 . TYR AJ 16 82 ? -6.694 52.204 -26.676 1.00 67.54 ? 82 TYR v CE2 1 ? ? +47814 ATOM C CZ . TYR AJ 16 82 ? -5.786 52.475 -25.674 1.00 67.46 ? 82 TYR v CZ 1 ? ? +47815 ATOM O OH . TYR AJ 16 82 ? -4.450 52.571 -25.973 1.00 67.42 ? 82 TYR v OH 1 ? ? +47816 ATOM C C . TYR AJ 16 82 ? -10.741 54.419 -25.299 1.00 69.71 ? 82 TYR v C 1 ? ? +47817 ATOM O O . TYR AJ 16 82 ? -9.805 55.171 -25.565 1.00 69.97 ? 82 TYR v O 1 ? ? +47818 ATOM N N . ASP AJ 16 83 ? -11.920 54.451 -25.934 1.00 70.26 ? 83 ASP v N 1 ? ? +47819 ATOM C CA . ASP AJ 16 83 ? -12.232 55.403 -26.992 1.00 71.19 ? 83 ASP v CA 1 ? ? +47820 ATOM C CB . ASP AJ 16 83 ? -13.074 54.724 -28.095 1.00 70.97 ? 83 ASP v CB 1 ? ? +47821 ATOM C CG . ASP AJ 16 83 ? -14.324 53.998 -27.635 1.00 70.63 ? 83 ASP v CG 1 ? ? +47822 ATOM O OD1 . ASP AJ 16 83 ? -14.692 54.140 -26.452 1.00 70.61 ? 83 ASP v OD1 1 ? ? +47823 ATOM O OD2 . ASP AJ 16 83 ? -14.922 53.264 -28.457 1.00 70.33 ? 83 ASP v OD2 1 ? ? +47824 ATOM C C . ASP AJ 16 83 ? -12.953 56.652 -26.493 1.00 72.47 ? 83 ASP v C 1 ? ? +47825 ATOM O O . ASP AJ 16 83 ? -13.306 57.516 -27.281 1.00 73.24 ? 83 ASP v O 1 ? ? +47826 ATOM N N . GLY AJ 16 84 ? -13.166 56.744 -25.178 1.00 73.02 ? 84 GLY v N 1 ? ? +47827 ATOM C CA . GLY AJ 16 84 ? -13.817 57.891 -24.571 1.00 74.37 ? 84 GLY v CA 1 ? ? +47828 ATOM C C . GLY AJ 16 84 ? -15.327 57.955 -24.797 1.00 75.59 ? 84 GLY v C 1 ? ? +47829 ATOM O O . GLY AJ 16 84 ? -15.975 58.914 -24.376 1.00 76.36 ? 84 GLY v O 1 ? ? +47830 ATOM N N . GLU AJ 16 85 ? -15.884 56.920 -25.436 1.00 76.11 ? 85 GLU v N 1 ? ? +47831 ATOM C CA . GLU AJ 16 85 ? -17.253 56.962 -25.925 1.00 77.55 ? 85 GLU v CA 1 ? ? +47832 ATOM C CB . GLU AJ 16 85 ? -17.439 55.887 -27.014 1.00 77.68 ? 85 GLU v CB 1 ? ? +47833 ATOM C CG . GLU AJ 16 85 ? -18.467 56.205 -28.085 1.00 79.01 ? 85 GLU v CG 1 ? ? +47834 ATOM C CD . GLU AJ 16 85 ? -17.920 56.995 -29.252 1.00 80.00 ? 85 GLU v CD 1 ? ? +47835 ATOM O OE2 . GLU AJ 16 85 ? -17.968 58.245 -29.194 1.00 81.45 ? 85 GLU v OE2 1 ? ? +47836 ATOM O OE1 . GLU AJ 16 85 ? -17.421 56.363 -30.214 1.00 79.90 ? 85 GLU v OE1 1 ? ? +47837 ATOM C C . GLU AJ 16 85 ? -18.280 56.751 -24.811 1.00 77.90 ? 85 GLU v C 1 ? ? +47838 ATOM O O . GLU AJ 16 85 ? -19.425 57.164 -24.953 1.00 78.51 ? 85 GLU v O 1 ? ? +47839 ATOM N N . GLN AJ 16 86 ? -17.867 56.103 -23.714 1.00 77.93 ? 86 GLN v N 1 ? ? +47840 ATOM C CA . GLN AJ 16 86 ? -18.790 55.718 -22.655 1.00 78.38 ? 86 GLN v CA 1 ? ? +47841 ATOM C CB . GLN AJ 16 86 ? -19.224 54.258 -22.862 1.00 78.80 ? 86 GLN v CB 1 ? ? +47842 ATOM C CG . GLN AJ 16 86 ? -20.458 53.897 -22.066 1.00 80.13 ? 86 GLN v CG 1 ? ? +47843 ATOM C CD . GLN AJ 16 86 ? -20.988 52.530 -22.465 1.00 80.65 ? 86 GLN v CD 1 ? ? +47844 ATOM O OE1 . GLN AJ 16 86 ? -20.260 51.659 -23.005 1.00 80.00 ? 86 GLN v OE1 1 ? ? +47845 ATOM N NE2 . GLN AJ 16 86 ? -22.274 52.314 -22.183 1.00 81.66 ? 86 GLN v NE2 1 ? ? +47846 ATOM C C . GLN AJ 16 86 ? -18.189 55.880 -21.259 1.00 77.25 ? 86 GLN v C 1 ? ? +47847 ATOM O O . GLN AJ 16 86 ? -17.007 55.612 -21.065 1.00 76.40 ? 86 GLN v O 1 ? ? +47848 ATOM N N . GLU AJ 16 87 ? -19.019 56.313 -20.299 1.00 76.94 ? 87 GLU v N 1 ? ? +47849 ATOM C CA . GLU AJ 16 87 ? -18.612 56.494 -18.913 1.00 76.32 ? 87 GLU v CA 1 ? ? +47850 ATOM C CB . GLU AJ 16 87 ? -19.367 57.668 -18.292 1.00 77.26 ? 87 GLU v CB 1 ? ? +47851 ATOM C CG . GLU AJ 16 87 ? -19.159 58.960 -19.050 1.00 78.16 ? 87 GLU v CG 1 ? ? +47852 ATOM C CD . GLU AJ 16 87 ? -19.879 60.151 -18.467 1.00 79.25 ? 87 GLU v CD 1 ? ? +47853 ATOM O OE1 . GLU AJ 16 87 ? -21.052 59.994 -18.072 1.00 79.96 ? 87 GLU v OE1 1 ? ? +47854 ATOM O OE2 . GLU AJ 16 87 ? -19.293 61.252 -18.433 1.00 79.90 ? 87 GLU v OE2 1 ? ? +47855 ATOM C C . GLU AJ 16 87 ? -18.875 55.224 -18.111 1.00 75.12 ? 87 GLU v C 1 ? ? +47856 ATOM O O . GLU AJ 16 87 ? -19.968 54.672 -18.173 1.00 75.12 ? 87 GLU v O 1 ? ? +47857 ATOM N N . ILE AJ 16 88 ? -17.871 54.773 -17.353 1.00 74.02 ? 88 ILE v N 1 ? ? +47858 ATOM C CA . ILE AJ 16 88 ? -17.931 53.469 -16.715 1.00 72.98 ? 88 ILE v CA 1 ? ? +47859 ATOM C CB . ILE AJ 16 88 ? -16.856 52.534 -17.346 1.00 72.20 ? 88 ILE v CB 1 ? ? +47860 ATOM C CG1 . ILE AJ 16 88 ? -15.407 53.064 -17.095 1.00 72.10 ? 88 ILE v CG1 1 ? ? +47861 ATOM C CG2 . ILE AJ 16 88 ? -17.130 52.321 -18.834 1.00 72.20 ? 88 ILE v CG2 1 ? ? +47862 ATOM C CD1 . ILE AJ 16 88 ? -14.291 52.188 -17.592 1.00 71.17 ? 88 ILE v CD1 1 ? ? +47863 ATOM C C . ILE AJ 16 88 ? -17.800 53.545 -15.195 1.00 72.69 ? 88 ILE v C 1 ? ? +47864 ATOM O O . ILE AJ 16 88 ? -17.505 52.549 -14.546 1.00 71.87 ? 88 ILE v O 1 ? ? +47865 ATOM N N . ALA AJ 16 89 ? -18.078 54.716 -14.619 1.00 73.47 ? 89 ALA v N 1 ? ? +47866 ATOM C CA . ALA AJ 16 89 ? -17.993 54.891 -13.179 1.00 73.48 ? 89 ALA v CA 1 ? ? +47867 ATOM C CB . ALA AJ 16 89 ? -18.465 56.279 -12.818 1.00 74.39 ? 89 ALA v CB 1 ? ? +47868 ATOM C C . ALA AJ 16 89 ? -18.774 53.842 -12.384 1.00 73.17 ? 89 ALA v C 1 ? ? +47869 ATOM O O . ALA AJ 16 89 ? -18.401 53.521 -11.257 1.00 72.84 ? 89 ALA v O 1 ? ? +47870 ATOM N N . GLU AJ 16 90 ? -19.864 53.322 -12.968 1.00 73.26 ? 90 GLU v N 1 ? ? +47871 ATOM C CA . GLU AJ 16 90 ? -20.672 52.299 -12.321 1.00 72.87 ? 90 GLU v CA 1 ? ? +47872 ATOM C CB . GLU AJ 16 90 ? -21.946 52.032 -13.120 1.00 73.74 ? 90 GLU v CB 1 ? ? +47873 ATOM C CG . GLU AJ 16 90 ? -23.040 53.019 -12.821 1.00 75.49 ? 90 GLU v CG 1 ? ? +47874 ATOM C CD . GLU AJ 16 90 ? -24.425 52.405 -12.841 1.00 76.43 ? 90 GLU v CD 1 ? ? +47875 ATOM O OE1 . GLU AJ 16 90 ? -24.686 51.488 -12.022 1.00 76.59 ? 90 GLU v OE1 1 ? ? +47876 ATOM O OE2 . GLU AJ 16 90 ? -25.253 52.854 -13.666 1.00 77.51 ? 90 GLU v OE2 1 ? ? +47877 ATOM C C . GLU AJ 16 90 ? -19.968 50.961 -12.115 1.00 71.18 ? 90 GLU v C 1 ? ? +47878 ATOM O O . GLU AJ 16 90 ? -20.390 50.182 -11.267 1.00 70.80 ? 90 GLU v O 1 ? ? +47879 ATOM N N . VAL AJ 16 91 ? -18.927 50.689 -12.913 1.00 70.04 ? 91 VAL v N 1 ? ? +47880 ATOM C CA . VAL AJ 16 91 ? -18.182 49.442 -12.796 1.00 68.62 ? 91 VAL v CA 1 ? ? +47881 ATOM C CB . VAL AJ 16 91 ? -18.465 48.518 -14.007 1.00 68.11 ? 91 VAL v CB 1 ? ? +47882 ATOM C CG1 . VAL AJ 16 91 ? -19.940 48.162 -14.076 1.00 68.54 ? 91 VAL v CG1 1 ? ? +47883 ATOM C CG2 . VAL AJ 16 91 ? -18.000 49.133 -15.317 1.00 68.26 ? 91 VAL v CG2 1 ? ? +47884 ATOM C C . VAL AJ 16 91 ? -16.673 49.606 -12.609 1.00 67.81 ? 91 VAL v C 1 ? ? +47885 ATOM O O . VAL AJ 16 91 ? -15.965 48.606 -12.543 1.00 67.12 ? 91 VAL v O 1 ? ? +47886 ATOM N N . HIS AJ 16 92 ? -16.185 50.852 -12.525 1.00 67.97 ? 92 HIS v N 1 ? ? +47887 ATOM C CA . HIS AJ 16 92 ? -14.788 51.117 -12.226 1.00 67.39 ? 92 HIS v CA 1 ? ? +47888 ATOM C CB . HIS AJ 16 92 ? -14.022 51.647 -13.442 1.00 67.12 ? 92 HIS v CB 1 ? ? +47889 ATOM C CG . HIS AJ 16 92 ? -12.535 51.671 -13.242 1.00 66.40 ? 92 HIS v CG 1 ? ? +47890 ATOM N ND1 . HIS AJ 16 92 ? -11.923 52.646 -12.484 1.00 66.72 ? 92 HIS v ND1 1 ? ? +47891 ATOM C CE1 . HIS AJ 16 92 ? -10.627 52.380 -12.522 1.00 66.11 ? 92 HIS v CE1 1 ? ? +47892 ATOM N NE2 . HIS AJ 16 92 ? -10.380 51.296 -13.261 1.00 65.22 ? 92 HIS v NE2 1 ? ? +47893 ATOM C CD2 . HIS AJ 16 92 ? -11.589 50.846 -13.731 1.00 65.43 ? 92 HIS v CD2 1 ? ? +47894 ATOM C C . HIS AJ 16 92 ? -14.677 52.130 -11.098 1.00 68.09 ? 92 HIS v C 1 ? ? +47895 ATOM O O . HIS AJ 16 92 ? -15.313 53.173 -11.145 1.00 68.92 ? 92 HIS v O 1 ? ? +47896 ATOM N N . PRO AJ 16 93 ? -13.845 51.878 -10.067 1.00 67.99 ? 93 PRO v N 1 ? ? +47897 ATOM C CA . PRO AJ 16 93 ? -13.711 52.818 -8.954 1.00 68.74 ? 93 PRO v CA 1 ? ? +47898 ATOM C CB . PRO AJ 16 93 ? -12.610 52.194 -8.089 1.00 68.17 ? 93 PRO v CB 1 ? ? +47899 ATOM C CG . PRO AJ 16 93 ? -12.534 50.773 -8.510 1.00 67.25 ? 93 PRO v CG 1 ? ? +47900 ATOM C CD . PRO AJ 16 93 ? -12.987 50.693 -9.926 1.00 67.18 ? 93 PRO v CD 1 ? ? +47901 ATOM C C . PRO AJ 16 93 ? -13.340 54.230 -9.402 1.00 69.71 ? 93 PRO v C 1 ? ? +47902 ATOM O O . PRO AJ 16 93 ? -12.474 54.426 -10.259 1.00 69.66 ? 93 PRO v O 1 ? ? +47903 ATOM N N . SER AJ 16 94 ? -14.029 55.206 -8.807 1.00 70.75 ? 94 SER v N 1 ? ? +47904 ATOM C CA . SER AJ 16 94 ? -13.829 56.611 -9.114 1.00 71.78 ? 94 SER v CA 1 ? ? +47905 ATOM C CB . SER AJ 16 94 ? -14.517 56.990 -10.424 1.00 72.18 ? 94 SER v CB 1 ? ? +47906 ATOM O OG . SER AJ 16 94 ? -15.932 56.950 -10.319 1.00 72.48 ? 94 SER v OG 1 ? ? +47907 ATOM C C . SER AJ 16 94 ? -14.388 57.434 -7.961 1.00 72.67 ? 94 SER v C 1 ? ? +47908 ATOM O O . SER AJ 16 94 ? -15.104 56.901 -7.114 1.00 72.57 ? 94 SER v O 1 ? ? +47909 ATOM N N . LEU AJ 16 95 ? -14.046 58.725 -7.933 1.00 73.69 ? 95 LEU v N 1 ? ? +47910 ATOM C CA . LEU AJ 16 95 ? -14.600 59.637 -6.948 1.00 74.78 ? 95 LEU v CA 1 ? ? +47911 ATOM C CB . LEU AJ 16 95 ? -13.874 60.990 -6.970 1.00 75.46 ? 95 LEU v CB 1 ? ? +47912 ATOM C CG . LEU AJ 16 95 ? -12.398 60.961 -6.570 1.00 75.19 ? 95 LEU v CG 1 ? ? +47913 ATOM C CD1 . LEU AJ 16 95 ? -11.842 62.347 -6.419 1.00 75.97 ? 95 LEU v CD1 1 ? ? +47914 ATOM C CD2 . LEU AJ 16 95 ? -12.190 60.209 -5.283 1.00 74.81 ? 95 LEU v CD2 1 ? ? +47915 ATOM C C . LEU AJ 16 95 ? -16.087 59.837 -7.217 1.00 75.72 ? 95 LEU v C 1 ? ? +47916 ATOM O O . LEU AJ 16 95 ? -16.867 60.020 -6.286 1.00 76.40 ? 95 LEU v O 1 ? ? +47917 ATOM N N . ARG AJ 16 96 ? -16.463 59.796 -8.500 1.00 76.06 ? 96 ARG v N 1 ? ? +47918 ATOM C CA . ARG AJ 16 96 ? -17.852 59.903 -8.913 1.00 76.73 ? 96 ARG v CA 1 ? ? +47919 ATOM C CB . ARG AJ 16 96 ? -17.916 59.993 -10.443 1.00 77.13 ? 96 ARG v CB 1 ? ? +47920 ATOM C CG . ARG AJ 16 96 ? -19.297 60.184 -10.994 1.00 78.10 ? 96 ARG v CG 1 ? ? +47921 ATOM C CD . ARG AJ 16 96 ? -19.299 60.388 -12.478 1.00 78.60 ? 96 ARG v CD 1 ? ? +47922 ATOM N NE . ARG AJ 16 96 ? -20.663 60.519 -12.983 1.00 79.52 ? 96 ARG v NE 1 ? ? +47923 ATOM C CZ . ARG AJ 16 96 ? -20.974 60.642 -14.266 1.00 80.11 ? 96 ARG v CZ 1 ? ? +47924 ATOM N NH1 . ARG AJ 16 96 ? -20.089 60.395 -15.220 1.00 79.63 ? 96 ARG v NH1 1 ? ? +47925 ATOM N NH2 . ARG AJ 16 96 ? -22.201 61.037 -14.602 1.00 81.25 ? 96 ARG v NH2 1 ? ? +47926 ATOM C C . ARG AJ 16 96 ? -18.670 58.721 -8.403 1.00 76.14 ? 96 ARG v C 1 ? ? +47927 ATOM O O . ARG AJ 16 96 ? -19.865 58.855 -8.156 1.00 76.56 ? 96 ARG v O 1 ? ? +47928 ATOM N N . SER AJ 16 97 ? -18.006 57.569 -8.246 1.00 75.18 ? 97 SER v N 1 ? ? +47929 ATOM C CA . SER AJ 16 97 ? -18.651 56.349 -7.796 1.00 74.74 ? 97 SER v CA 1 ? ? +47930 ATOM C CB . SER AJ 16 97 ? -18.482 55.271 -8.863 1.00 73.87 ? 97 SER v CB 1 ? ? +47931 ATOM O OG . SER AJ 16 97 ? -17.124 54.970 -9.101 1.00 73.04 ? 97 SER v OG 1 ? ? +47932 ATOM C C . SER AJ 16 97 ? -18.121 55.874 -6.444 1.00 74.55 ? 97 SER v C 1 ? ? +47933 ATOM O O . SER AJ 16 97 ? -18.075 54.679 -6.176 1.00 73.93 ? 97 SER v O 1 ? ? +47934 ATOM N N . ALA AJ 16 98 ? -17.758 56.823 -5.575 1.00 75.31 ? 98 ALA v N 1 ? ? +47935 ATOM C CA . ALA AJ 16 98 ? -17.252 56.503 -4.250 1.00 75.22 ? 98 ALA v CA 1 ? ? +47936 ATOM C CB . ALA AJ 16 98 ? -16.602 57.732 -3.640 1.00 75.77 ? 98 ALA v CB 1 ? ? +47937 ATOM C C . ALA AJ 16 98 ? -18.340 55.960 -3.321 1.00 75.57 ? 98 ALA v C 1 ? ? +47938 ATOM O O . ALA AJ 16 98 ? -18.040 55.367 -2.293 1.00 75.28 ? 98 ALA v O 1 ? ? +47939 ATOM N N . ASP AJ 16 99 ? -19.608 56.169 -3.677 1.00 76.56 ? 99 ASP v N 1 ? ? +47940 ATOM C CA . ASP AJ 16 99 ? -20.707 55.577 -2.933 1.00 76.97 ? 99 ASP v CA 1 ? ? +47941 ATOM C CB . ASP AJ 16 99 ? -22.062 56.136 -3.411 1.00 78.00 ? 99 ASP v CB 1 ? ? +47942 ATOM C CG . ASP AJ 16 99 ? -22.355 55.950 -4.891 1.00 78.27 ? 99 ASP v CG 1 ? ? +47943 ATOM O OD1 . ASP AJ 16 99 ? -21.394 55.972 -5.696 1.00 78.16 ? 99 ASP v OD1 1 ? ? +47944 ATOM O OD2 . ASP AJ 16 99 ? -23.543 55.817 -5.251 1.00 78.96 ? 99 ASP v OD2 1 ? ? +47945 ATOM C C . ASP AJ 16 99 ? -20.683 54.051 -3.008 1.00 76.15 ? 99 ASP v C 1 ? ? +47946 ATOM O O . ASP AJ 16 99 ? -20.902 53.397 -1.996 1.00 76.36 ? 99 ASP v O 1 ? ? +47947 ATOM N N . ILE AJ 16 100 ? -20.387 53.484 -4.186 1.00 75.51 ? 100 ILE v N 1 ? ? +47948 ATOM C CA . ILE AJ 16 100 ? -20.416 52.034 -4.353 1.00 74.50 ? 100 ILE v CA 1 ? ? +47949 ATOM C CB . ILE AJ 16 100 ? -21.271 51.571 -5.581 1.00 74.51 ? 100 ILE v CB 1 ? ? +47950 ATOM C CG1 . ILE AJ 16 100 ? -20.624 51.866 -6.949 1.00 74.42 ? 100 ILE v CG1 1 ? ? +47951 ATOM C CG2 . ILE AJ 16 100 ? -22.685 52.124 -5.529 1.00 75.34 ? 100 ILE v CG2 1 ? ? +47952 ATOM C CD1 . ILE AJ 16 100 ? -20.369 53.115 -7.211 1.00 75.15 ? 100 ILE v CD1 1 ? ? +47953 ATOM C C . ILE AJ 16 100 ? -19.026 51.394 -4.396 1.00 73.53 ? 100 ILE v C 1 ? ? +47954 ATOM O O . ILE AJ 16 100 ? -18.918 50.169 -4.375 1.00 72.71 ? 100 ILE v O 1 ? ? +47955 ATOM N N . PHE AJ 16 101 ? -17.977 52.225 -4.465 1.00 73.57 ? 101 PHE v N 1 ? ? +47956 ATOM C CA . PHE AJ 16 101 ? -16.595 51.796 -4.280 1.00 72.73 ? 101 PHE v CA 1 ? ? +47957 ATOM C CB . PHE AJ 16 101 ? -15.752 52.082 -5.529 1.00 72.32 ? 101 PHE v CB 1 ? ? +47958 ATOM C CG . PHE AJ 16 101 ? -16.113 51.234 -6.725 1.00 71.57 ? 101 PHE v CG 1 ? ? +47959 ATOM C CD1 . PHE AJ 16 101 ? -15.670 49.925 -6.827 1.00 70.43 ? 101 PHE v CD1 1 ? ? +47960 ATOM C CD2 . PHE AJ 16 101 ? -16.915 51.739 -7.738 1.00 71.75 ? 101 PHE v CD2 1 ? ? +47961 ATOM C CE1 . PHE AJ 16 101 ? -16.016 49.146 -7.919 1.00 69.80 ? 101 PHE v CE1 1 ? ? +47962 ATOM C CE2 . PHE AJ 16 101 ? -17.242 50.961 -8.833 1.00 71.19 ? 101 PHE v CE2 1 ? ? +47963 ATOM C CZ . PHE AJ 16 101 ? -16.796 49.667 -8.916 1.00 70.23 ? 101 PHE v CZ 1 ? ? +47964 ATOM C C . PHE AJ 16 101 ? -16.022 52.538 -3.075 1.00 73.38 ? 101 PHE v C 1 ? ? +47965 ATOM O O . PHE AJ 16 101 ? -15.351 53.555 -3.228 1.00 73.70 ? 101 PHE v O 1 ? ? +47966 ATOM N N . PRO AJ 16 102 ? -16.298 52.076 -1.834 1.00 73.75 ? 102 PRO v N 1 ? ? +47967 ATOM C CA . PRO AJ 16 102 ? -16.010 52.859 -0.636 1.00 74.50 ? 102 PRO v CA 1 ? ? +47968 ATOM C CB . PRO AJ 16 102 ? -16.476 51.930 0.487 1.00 74.15 ? 102 PRO v CB 1 ? ? +47969 ATOM C CG . PRO AJ 16 102 ? -17.438 50.997 -0.152 1.00 73.74 ? 102 PRO v CG 1 ? ? +47970 ATOM C CD . PRO AJ 16 102 ? -16.922 50.784 -1.511 1.00 73.25 ? 102 PRO v CD 1 ? ? +47971 ATOM C C . PRO AJ 16 102 ? -14.555 53.273 -0.433 1.00 74.94 ? 102 PRO v C 1 ? ? +47972 ATOM O O . PRO AJ 16 102 ? -14.293 54.279 0.214 1.00 75.96 ? 102 PRO v O 1 ? ? +47973 ATOM N N . LYS AJ 16 103 ? -13.610 52.505 -0.980 1.00 74.78 ? 103 LYS v N 1 ? ? +47974 ATOM C CA . LYS AJ 16 103 ? -12.200 52.803 -0.785 1.00 75.24 ? 103 LYS v CA 1 ? ? +47975 ATOM C CB . LYS AJ 16 103 ? -11.340 51.718 -1.418 1.00 74.28 ? 103 LYS v CB 1 ? ? +47976 ATOM C CG . LYS AJ 16 103 ? -11.081 50.530 -0.526 1.00 73.63 ? 103 LYS v CG 1 ? ? +47977 ATOM C CD . LYS AJ 16 103 ? -10.835 49.279 -1.345 1.00 72.57 ? 103 LYS v CD 1 ? ? +47978 ATOM C CE . LYS AJ 16 103 ? -9.509 48.706 -1.074 1.00 71.97 ? 103 LYS v CE 1 ? ? +47979 ATOM N NZ . LYS AJ 16 103 ? -9.154 47.717 -2.109 1.00 71.40 ? 103 LYS v NZ 1 ? ? +47980 ATOM C C . LYS AJ 16 103 ? -11.777 54.147 -1.365 1.00 76.76 ? 103 LYS v C 1 ? ? +47981 ATOM O O . LYS AJ 16 103 ? -10.739 54.678 -0.979 1.00 76.90 ? 103 LYS v O 1 ? ? +47982 ATOM N N . MET AJ 16 104 ? -12.581 54.672 -2.299 1.00 78.44 ? 104 MET v N 1 ? ? +47983 ATOM C CA . MET AJ 16 104 ? -12.295 55.937 -2.956 1.00 79.93 ? 104 MET v CA 1 ? ? +47984 ATOM C CB . MET AJ 16 104 ? -13.001 55.974 -4.324 1.00 79.19 ? 104 MET v CB 1 ? ? +47985 ATOM C CG . MET AJ 16 104 ? -12.592 54.832 -5.251 1.00 77.66 ? 104 MET v CG 1 ? ? +47986 ATOM S SD . MET AJ 16 104 ? -10.834 54.787 -5.662 1.00 76.12 ? 104 MET v SD 1 ? ? +47987 ATOM C CE . MET AJ 16 104 ? -10.676 56.195 -6.595 1.00 76.82 ? 104 MET v CE 1 ? ? +47988 ATOM C C . MET AJ 16 104 ? -12.737 57.149 -2.134 1.00 82.52 ? 104 MET v C 1 ? ? +47989 ATOM O O . MET AJ 16 104 ? -12.411 58.278 -2.488 1.00 83.20 ? 104 MET v O 1 ? ? +47990 ATOM N N . ARG AJ 16 105 ? -13.492 56.907 -1.052 1.00 85.15 ? 105 ARG v N 1 ? ? +47991 ATOM C CA . ARG AJ 16 105 ? -14.116 57.973 -0.272 1.00 88.80 ? 105 ARG v CA 1 ? ? +47992 ATOM C CB . ARG AJ 16 105 ? -15.047 57.376 0.815 1.00 88.21 ? 105 ARG v CB 1 ? ? +47993 ATOM C CG . ARG AJ 16 105 ? -16.272 56.718 0.245 1.00 87.48 ? 105 ARG v CG 1 ? ? +47994 ATOM C CD . ARG AJ 16 105 ? -17.159 56.138 1.299 1.00 87.41 ? 105 ARG v CD 1 ? ? +47995 ATOM N NE . ARG AJ 16 105 ? -18.330 55.524 0.687 1.00 87.79 ? 105 ARG v NE 1 ? ? +47996 ATOM C CZ . ARG AJ 16 105 ? -19.081 54.592 1.260 1.00 88.13 ? 105 ARG v CZ 1 ? ? +47997 ATOM N NH1 . ARG AJ 16 105 ? -18.943 54.278 2.538 1.00 88.29 ? 105 ARG v NH1 1 ? ? +47998 ATOM N NH2 . ARG AJ 16 105 ? -19.995 53.959 0.530 1.00 88.22 ? 105 ARG v NH2 1 ? ? +47999 ATOM C C . ARG AJ 16 105 ? -13.134 58.919 0.422 1.00 90.83 ? 105 ARG v C 1 ? ? +48000 ATOM O O . ARG AJ 16 105 ? -13.287 60.134 0.366 1.00 90.88 ? 105 ARG v O 1 ? ? +48001 ATOM N N . ASN AJ 16 106 ? -12.124 58.339 1.077 1.00 93.17 ? 106 ASN v N 1 ? ? +48002 ATOM C CA . ASN AJ 16 106 ? -11.133 59.101 1.814 1.00 95.88 ? 106 ASN v CA 1 ? ? +48003 ATOM C CB . ASN AJ 16 106 ? -10.705 58.277 3.043 1.00 97.79 ? 106 ASN v CB 1 ? ? +48004 ATOM C CG . ASN AJ 16 106 ? -10.163 56.878 2.725 1.00 98.68 ? 106 ASN v CG 1 ? ? +48005 ATOM O OD1 . ASN AJ 16 106 ? -10.193 56.379 1.591 1.00 99.01 ? 106 ASN v OD1 1 ? ? +48006 ATOM N ND2 . ASN AJ 16 106 ? -9.643 56.212 3.740 1.00 99.41 ? 106 ASN v ND2 1 ? ? +48007 ATOM C C . ASN AJ 16 106 ? -9.917 59.491 0.973 1.00 95.53 ? 106 ASN v C 1 ? ? +48008 ATOM O O . ASN AJ 16 106 ? -8.835 59.685 1.524 1.00 97.02 ? 106 ASN v O 1 ? ? +48009 ATOM N N . LEU AJ 16 107 ? -10.093 59.578 -0.358 1.00 94.31 ? 107 LEU v N 1 ? ? +48010 ATOM C CA . LEU AJ 16 107 ? -9.019 59.965 -1.255 1.00 93.42 ? 107 LEU v CA 1 ? ? +48011 ATOM C CB . LEU AJ 16 107 ? -8.947 59.074 -2.513 1.00 92.44 ? 107 LEU v CB 1 ? ? +48012 ATOM C CG . LEU AJ 16 107 ? -8.625 57.588 -2.320 1.00 91.56 ? 107 LEU v CG 1 ? ? +48013 ATOM C CD1 . LEU AJ 16 107 ? -8.159 56.940 -3.628 1.00 90.72 ? 107 LEU v CD1 1 ? ? +48014 ATOM C CD2 . LEU AJ 16 107 ? -7.574 57.341 -1.254 1.00 91.58 ? 107 LEU v CD2 1 ? ? +48015 ATOM C C . LEU AJ 16 107 ? -9.248 61.424 -1.647 1.00 93.83 ? 107 LEU v C 1 ? ? +48016 ATOM O O . LEU AJ 16 107 ? -10.361 61.814 -1.999 1.00 94.08 ? 107 LEU v O 1 ? ? +48017 ATOM N N . THR AJ 16 108 ? -8.179 62.218 -1.555 1.00 93.56 ? 108 THR v N 1 ? ? +48018 ATOM C CA . THR AJ 16 108 ? -8.211 63.624 -1.914 1.00 94.15 ? 108 THR v CA 1 ? ? +48019 ATOM C CB . THR AJ 16 108 ? -7.493 64.498 -0.851 1.00 95.38 ? 108 THR v CB 1 ? ? +48020 ATOM O OG1 . THR AJ 16 108 ? -6.510 65.302 -1.503 1.00 96.84 ? 108 THR v OG1 1 ? ? +48021 ATOM C CG2 . THR AJ 16 108 ? -6.764 63.714 0.230 1.00 94.86 ? 108 THR v CG2 1 ? ? +48022 ATOM C C . THR AJ 16 108 ? -7.615 63.802 -3.306 1.00 93.27 ? 108 THR v C 1 ? ? +48023 ATOM O O . THR AJ 16 108 ? -7.033 62.876 -3.858 1.00 91.65 ? 108 THR v O 1 ? ? +48024 ATOM N N . GLU AJ 16 109 ? -7.759 65.015 -3.850 1.00 94.09 ? 109 GLU v N 1 ? ? +48025 ATOM C CA . GLU AJ 16 109 ? -7.104 65.407 -5.086 1.00 93.81 ? 109 GLU v CA 1 ? ? +48026 ATOM C CB . GLU AJ 16 109 ? -7.275 66.918 -5.300 1.00 95.83 ? 109 GLU v CB 1 ? ? +48027 ATOM C CG . GLU AJ 16 109 ? -6.653 67.453 -6.579 1.00 96.68 ? 109 GLU v CG 1 ? ? +48028 ATOM C CD . GLU AJ 16 109 ? -7.522 67.330 -7.805 1.00 97.30 ? 109 GLU v CD 1 ? ? +48029 ATOM O OE1 . GLU AJ 16 109 ? -8.710 66.951 -7.676 1.00 97.47 ? 109 GLU v OE1 1 ? ? +48030 ATOM O OE2 . GLU AJ 16 109 ? -7.015 67.650 -8.904 1.00 98.15 ? 109 GLU v OE2 1 ? ? +48031 ATOM C C . GLU AJ 16 109 ? -5.616 65.064 -5.078 1.00 92.46 ? 109 GLU v C 1 ? ? +48032 ATOM O O . GLU AJ 16 109 ? -5.103 64.566 -6.072 1.00 92.82 ? 109 GLU v O 1 ? ? +48033 ATOM N N . LYS AJ 16 110 ? -4.923 65.343 -3.968 1.00 91.33 ? 110 LYS v N 1 ? ? +48034 ATOM C CA . LYS AJ 16 110 ? -3.478 65.168 -3.930 1.00 90.61 ? 110 LYS v CA 1 ? ? +48035 ATOM C CB . LYS AJ 16 110 ? -2.811 65.877 -2.719 1.00 92.13 ? 110 LYS v CB 1 ? ? +48036 ATOM C CG . LYS AJ 16 110 ? -2.640 65.026 -1.451 1.00 92.32 ? 110 LYS v CG 1 ? ? +48037 ATOM C CD . LYS AJ 16 110 ? -1.884 65.777 -0.326 1.00 93.02 ? 110 LYS v CD 1 ? ? +48038 ATOM C CE . LYS AJ 16 110 ? -2.347 65.421 1.086 1.00 93.03 ? 110 LYS v CE 1 ? ? +48039 ATOM N NZ . LYS AJ 16 110 ? -2.747 63.986 1.239 1.00 92.11 ? 110 LYS v NZ 1 ? ? +48040 ATOM C C . LYS AJ 16 110 ? -3.130 63.683 -3.950 1.00 88.10 ? 110 LYS v C 1 ? ? +48041 ATOM O O . LYS AJ 16 110 ? -2.091 63.311 -4.480 1.00 88.67 ? 110 LYS v O 1 ? ? +48042 ATOM N N . ASP AJ 16 111 ? -4.003 62.842 -3.382 1.00 85.83 ? 111 ASP v N 1 ? ? +48043 ATOM C CA . ASP AJ 16 111 ? -3.826 61.396 -3.405 1.00 83.34 ? 111 ASP v CA 1 ? ? +48044 ATOM C CB . ASP AJ 16 111 ? -4.895 60.732 -2.514 1.00 83.46 ? 111 ASP v CB 1 ? ? +48045 ATOM C CG . ASP AJ 16 111 ? -4.743 61.027 -1.028 1.00 84.22 ? 111 ASP v CG 1 ? ? +48046 ATOM O OD1 . ASP AJ 16 111 ? -3.626 61.361 -0.605 1.00 84.95 ? 111 ASP v OD1 1 ? ? +48047 ATOM O OD2 . ASP AJ 16 111 ? -5.751 60.945 -0.293 1.00 84.79 ? 111 ASP v OD2 1 ? ? +48048 ATOM C C . ASP AJ 16 111 ? -3.887 60.831 -4.824 1.00 81.37 ? 111 ASP v C 1 ? ? +48049 ATOM O O . ASP AJ 16 111 ? -3.113 59.941 -5.184 1.00 80.33 ? 111 ASP v O 1 ? ? +48050 ATOM N N . LEU AJ 16 112 ? -4.820 61.356 -5.628 1.00 80.32 ? 112 LEU v N 1 ? ? +48051 ATOM C CA . LEU AJ 16 112 ? -4.955 60.957 -7.020 1.00 78.94 ? 112 LEU v CA 1 ? ? +48052 ATOM C CB . LEU AJ 16 112 ? -6.187 61.627 -7.643 1.00 79.50 ? 112 LEU v CB 1 ? ? +48053 ATOM C CG . LEU AJ 16 112 ? -7.534 60.900 -7.475 1.00 79.22 ? 112 LEU v CG 1 ? ? +48054 ATOM C CD1 . LEU AJ 16 112 ? -7.785 60.453 -6.064 1.00 79.16 ? 112 LEU v CD1 1 ? ? +48055 ATOM C CD2 . LEU AJ 16 112 ? -8.668 61.785 -7.897 1.00 80.03 ? 112 LEU v CD2 1 ? ? +48056 ATOM C C . LEU AJ 16 112 ? -3.702 61.308 -7.817 1.00 78.16 ? 112 LEU v C 1 ? ? +48057 ATOM O O . LEU AJ 16 112 ? -3.287 60.547 -8.681 1.00 77.52 ? 112 LEU v O 1 ? ? +48058 ATOM N N . VAL AJ 16 113 ? -3.111 62.468 -7.521 1.00 78.28 ? 113 VAL v N 1 ? ? +48059 ATOM C CA . VAL AJ 16 113 ? -1.885 62.892 -8.179 1.00 77.93 ? 113 VAL v CA 1 ? ? +48060 ATOM C CB . VAL AJ 16 113 ? -1.448 64.334 -7.810 1.00 78.72 ? 113 VAL v CB 1 ? ? +48061 ATOM C CG1 . VAL AJ 16 113 ? -0.234 64.751 -8.611 1.00 78.70 ? 113 VAL v CG1 1 ? ? +48062 ATOM C CG2 . VAL AJ 16 113 ? -2.584 65.333 -7.999 1.00 79.58 ? 113 VAL v CG2 1 ? ? +48063 ATOM C C . VAL AJ 16 113 ? -0.778 61.896 -7.852 1.00 76.79 ? 113 VAL v C 1 ? ? +48064 ATOM O O . VAL AJ 16 113 ? -0.023 61.497 -8.732 1.00 76.20 ? 113 VAL v O 1 ? ? +48065 ATOM N N . ALA AJ 16 114 ? -0.699 61.489 -6.583 1.00 76.36 ? 114 ALA v N 1 ? ? +48066 ATOM C CA . ALA AJ 16 114 ? 0.324 60.549 -6.153 1.00 75.57 ? 114 ALA v CA 1 ? ? +48067 ATOM C CB . ALA AJ 16 114 ? 0.264 60.354 -4.649 1.00 75.51 ? 114 ALA v CB 1 ? ? +48068 ATOM C C . ALA AJ 16 114 ? 0.188 59.214 -6.888 1.00 74.52 ? 114 ALA v C 1 ? ? +48069 ATOM O O . ALA AJ 16 114 ? 1.172 58.700 -7.422 1.00 74.21 ? 114 ALA v O 1 ? ? +48070 ATOM N N . ILE AJ 16 115 ? -1.038 58.673 -6.925 1.00 73.90 ? 115 ILE v N 1 ? ? +48071 ATOM C CA . ILE AJ 16 115 ? -1.313 57.429 -7.628 1.00 72.72 ? 115 ILE v CA 1 ? ? +48072 ATOM C CB . ILE AJ 16 115 ? -2.800 57.012 -7.464 1.00 72.78 ? 115 ILE v CB 1 ? ? +48073 ATOM C CG1 . ILE AJ 16 115 ? -3.141 56.699 -5.996 1.00 72.72 ? 115 ILE v CG1 1 ? ? +48074 ATOM C CG2 . ILE AJ 16 115 ? -3.141 55.823 -8.376 1.00 72.07 ? 115 ILE v CG2 1 ? ? +48075 ATOM C CD1 . ILE AJ 16 115 ? -4.631 56.442 -5.722 1.00 72.67 ? 115 ILE v CD1 1 ? ? +48076 ATOM C C . ILE AJ 16 115 ? -0.948 57.544 -9.106 1.00 72.34 ? 115 ILE v C 1 ? ? +48077 ATOM O O . ILE AJ 16 115 ? -0.331 56.646 -9.665 1.00 71.68 ? 115 ILE v O 1 ? ? +48078 ATOM N N . ALA AJ 16 116 ? -1.367 58.648 -9.734 1.00 72.81 ? 116 ALA v N 1 ? ? +48079 ATOM C CA . ALA AJ 16 116 ? -1.045 58.931 -11.123 1.00 72.69 ? 116 ALA v CA 1 ? ? +48080 ATOM C CB . ALA AJ 16 116 ? -1.650 60.260 -11.545 1.00 73.60 ? 116 ALA v CB 1 ? ? +48081 ATOM C C . ALA AJ 16 116 ? 0.463 58.965 -11.343 1.00 72.34 ? 116 ALA v C 1 ? ? +48082 ATOM O O . ALA AJ 16 116 ? 0.962 58.414 -12.318 1.00 71.73 ? 116 ALA v O 1 ? ? +48083 ATOM N N . GLY AJ 16 117 ? 1.172 59.630 -10.425 1.00 72.60 ? 117 GLY v N 1 ? ? +48084 ATOM C CA . GLY AJ 16 117 ? 2.622 59.693 -10.456 1.00 72.48 ? 117 GLY v CA 1 ? ? +48085 ATOM C C . GLY AJ 16 117 ? 3.258 58.310 -10.467 1.00 71.42 ? 117 GLY v C 1 ? ? +48086 ATOM O O . GLY AJ 16 117 ? 4.157 58.053 -11.262 1.00 71.29 ? 117 GLY v O 1 ? ? +48087 ATOM N N . HIS AJ 16 118 ? 2.770 57.425 -9.588 1.00 70.75 ? 118 HIS v N 1 ? ? +48088 ATOM C CA . HIS AJ 16 118 ? 3.292 56.073 -9.495 1.00 69.75 ? 118 HIS v CA 1 ? ? +48089 ATOM C CB . HIS AJ 16 118 ? 2.623 55.310 -8.348 1.00 69.47 ? 118 HIS v CB 1 ? ? +48090 ATOM C CG . HIS AJ 16 118 ? 3.025 53.870 -8.245 1.00 68.79 ? 118 HIS v CG 1 ? ? +48091 ATOM N ND1 . HIS AJ 16 118 ? 4.338 53.502 -8.023 1.00 68.81 ? 118 HIS v ND1 1 ? ? +48092 ATOM C CE1 . HIS AJ 16 118 ? 4.358 52.173 -7.995 1.00 67.98 ? 118 HIS v CE1 1 ? ? +48093 ATOM N NE2 . HIS AJ 16 118 ? 3.130 51.677 -8.168 1.00 67.67 ? 118 HIS v NE2 1 ? ? +48094 ATOM C CD2 . HIS AJ 16 118 ? 2.274 52.751 -8.332 1.00 68.23 ? 118 HIS v CD2 1 ? ? +48095 ATOM C C . HIS AJ 16 118 ? 3.133 55.326 -10.817 1.00 69.19 ? 118 HIS v C 1 ? ? +48096 ATOM O O . HIS AJ 16 118 ? 4.062 54.660 -11.264 1.00 68.92 ? 118 HIS v O 1 ? ? +48097 ATOM N N . ILE AJ 16 119 ? 1.963 55.461 -11.451 1.00 69.15 ? 119 ILE v N 1 ? ? +48098 ATOM C CA . ILE AJ 16 119 ? 1.677 54.754 -12.690 1.00 68.57 ? 119 ILE v CA 1 ? ? +48099 ATOM C CB . ILE AJ 16 119 ? 0.180 54.940 -13.084 1.00 68.71 ? 119 ILE v CB 1 ? ? +48100 ATOM C CG1 . ILE AJ 16 119 ? -0.758 54.305 -12.037 1.00 68.42 ? 119 ILE v CG1 1 ? ? +48101 ATOM C CG2 . ILE AJ 16 119 ? -0.116 54.396 -14.475 1.00 68.33 ? 119 ILE v CG2 1 ? ? +48102 ATOM C CD1 . ILE AJ 16 119 ? -2.272 54.531 -12.295 1.00 68.61 ? 119 ILE v CD1 1 ? ? +48103 ATOM C C . ILE AJ 16 119 ? 2.620 55.188 -13.813 1.00 68.77 ? 119 ILE v C 1 ? ? +48104 ATOM O O . ILE AJ 16 119 ? 2.994 54.386 -14.664 1.00 68.28 ? 119 ILE v O 1 ? ? +48105 ATOM N N . LEU AJ 16 120 ? 2.993 56.470 -13.821 1.00 69.66 ? 120 LEU v N 1 ? ? +48106 ATOM C CA . LEU AJ 16 120 ? 3.809 57.020 -14.891 1.00 70.07 ? 120 LEU v CA 1 ? ? +48107 ATOM C CB . LEU AJ 16 120 ? 3.500 58.503 -15.067 1.00 71.03 ? 120 LEU v CB 1 ? ? +48108 ATOM C CG . LEU AJ 16 120 ? 2.067 58.810 -15.506 1.00 71.20 ? 120 LEU v CG 1 ? ? +48109 ATOM C CD1 . LEU AJ 16 120 ? 1.794 60.285 -15.473 1.00 72.21 ? 120 LEU v CD1 1 ? ? +48110 ATOM C CD2 . LEU AJ 16 120 ? 1.784 58.271 -16.892 1.00 70.85 ? 120 LEU v CD2 1 ? ? +48111 ATOM C C . LEU AJ 16 120 ? 5.301 56.823 -14.636 1.00 70.15 ? 120 LEU v C 1 ? ? +48112 ATOM O O . LEU AJ 16 120 ? 6.080 56.752 -15.587 1.00 70.21 ? 120 LEU v O 1 ? ? +48113 ATOM N N . VAL AJ 16 121 ? 5.690 56.718 -13.358 1.00 70.27 ? 121 VAL v N 1 ? ? +48114 ATOM C CA . VAL AJ 16 121 ? 7.087 56.538 -12.998 1.00 70.38 ? 121 VAL v CA 1 ? ? +48115 ATOM C CB . VAL AJ 16 121 ? 7.372 57.062 -11.577 1.00 70.85 ? 121 VAL v CB 1 ? ? +48116 ATOM C CG1 . VAL AJ 16 121 ? 8.804 56.740 -11.162 1.00 70.85 ? 121 VAL v CG1 1 ? ? +48117 ATOM C CG2 . VAL AJ 16 121 ? 7.113 58.557 -11.465 1.00 71.78 ? 121 VAL v CG2 1 ? ? +48118 ATOM C C . VAL AJ 16 121 ? 7.530 55.083 -13.122 1.00 69.52 ? 121 VAL v C 1 ? ? +48119 ATOM O O . VAL AJ 16 121 ? 8.620 54.806 -13.616 1.00 69.30 ? 121 VAL v O 1 ? ? +48120 ATOM N N . GLU AJ 16 122 ? 6.670 54.158 -12.681 1.00 69.15 ? 122 GLU v N 1 ? ? +48121 ATOM C CA . GLU AJ 16 122 ? 7.030 52.753 -12.561 1.00 68.41 ? 122 GLU v CA 1 ? ? +48122 ATOM C CB . GLU AJ 16 122 ? 5.825 51.926 -12.056 1.00 67.99 ? 122 GLU v CB 1 ? ? +48123 ATOM C CG . GLU AJ 16 122 ? 6.241 50.674 -11.307 1.00 67.36 ? 122 GLU v CG 1 ? ? +48124 ATOM C CD . GLU AJ 16 122 ? 7.000 50.932 -10.015 1.00 67.64 ? 122 GLU v CD 1 ? ? +48125 ATOM O OE1 . GLU AJ 16 122 ? 7.114 52.107 -9.599 1.00 68.46 ? 122 GLU v OE1 1 ? ? +48126 ATOM O OE2 . GLU AJ 16 122 ? 7.483 49.946 -9.415 1.00 67.13 ? 122 GLU v OE2 1 ? ? +48127 ATOM C C . GLU AJ 16 122 ? 7.577 52.107 -13.834 1.00 67.96 ? 122 GLU v C 1 ? ? +48128 ATOM O O . GLU AJ 16 122 ? 8.525 51.341 -13.743 1.00 67.53 ? 122 GLU v O 1 ? ? +48129 ATOM N N . PRO AJ 16 123 ? 7.001 52.345 -15.038 1.00 68.26 ? 123 PRO v N 1 ? ? +48130 ATOM C CA . PRO AJ 16 123 ? 7.580 51.821 -16.279 1.00 68.06 ? 123 PRO v CA 1 ? ? +48131 ATOM C CB . PRO AJ 16 123 ? 6.603 52.295 -17.360 1.00 68.31 ? 123 PRO v CB 1 ? ? +48132 ATOM C CG . PRO AJ 16 123 ? 5.807 53.400 -16.729 1.00 68.90 ? 123 PRO v CG 1 ? ? +48133 ATOM C CD . PRO AJ 16 123 ? 5.758 53.102 -15.271 1.00 68.71 ? 123 PRO v CD 1 ? ? +48134 ATOM C C . PRO AJ 16 123 ? 8.993 52.320 -16.576 1.00 68.59 ? 123 PRO v C 1 ? ? +48135 ATOM O O . PRO AJ 16 123 ? 9.768 51.610 -17.211 1.00 68.20 ? 123 PRO v O 1 ? ? +48136 ATOM N N . LYS AJ 16 124 ? 9.316 53.540 -16.125 1.00 69.49 ? 124 LYS v N 1 ? ? +48137 ATOM C CA . LYS AJ 16 124 ? 10.661 54.074 -16.273 1.00 70.01 ? 124 LYS v CA 1 ? ? +48138 ATOM C CB . LYS AJ 16 124 ? 10.736 55.530 -15.808 1.00 71.09 ? 124 LYS v CB 1 ? ? +48139 ATOM C CG . LYS AJ 16 124 ? 9.851 56.494 -16.569 1.00 71.69 ? 124 LYS v CG 1 ? ? +48140 ATOM C CD . LYS AJ 16 124 ? 10.121 57.899 -16.107 1.00 72.75 ? 124 LYS v CD 1 ? ? +48141 ATOM C CE . LYS AJ 16 124 ? 9.533 58.920 -17.007 1.00 73.63 ? 124 LYS v CE 1 ? ? +48142 ATOM N NZ . LYS AJ 16 124 ? 9.944 60.272 -16.579 1.00 74.76 ? 124 LYS v NZ 1 ? ? +48143 ATOM C C . LYS AJ 16 124 ? 11.659 53.235 -15.478 1.00 69.49 ? 124 LYS v C 1 ? ? +48144 ATOM O O . LYS AJ 16 124 ? 12.813 53.105 -15.872 1.00 69.35 ? 124 LYS v O 1 ? ? +48145 ATOM N N . ILE AJ 16 125 ? 11.194 52.660 -14.365 1.00 69.12 ? 125 ILE v N 1 ? ? +48146 ATOM C CA . ILE AJ 16 125 ? 12.018 51.795 -13.541 1.00 68.77 ? 125 ILE v CA 1 ? ? +48147 ATOM C CB . ILE AJ 16 125 ? 11.556 51.827 -12.070 1.00 68.63 ? 125 ILE v CB 1 ? ? +48148 ATOM C CG1 . ILE AJ 16 125 ? 11.419 53.244 -11.530 1.00 69.37 ? 125 ILE v CG1 1 ? ? +48149 ATOM C CG2 . ILE AJ 16 125 ? 12.505 50.995 -11.203 1.00 68.26 ? 125 ILE v CG2 1 ? ? +48150 ATOM C CD1 . ILE AJ 16 125 ? 10.833 53.282 -10.152 1.00 69.47 ? 125 ILE v CD1 1 ? ? +48151 ATOM C C . ILE AJ 16 125 ? 12.025 50.355 -14.050 1.00 68.12 ? 125 ILE v C 1 ? ? +48152 ATOM O O . ILE AJ 16 125 ? 13.090 49.789 -14.289 1.00 68.12 ? 125 ILE v O 1 ? ? +48153 ATOM N N . LEU AJ 16 126 ? 10.832 49.764 -14.200 1.00 67.80 ? 126 LEU v N 1 ? ? +48154 ATOM C CA . LEU AJ 16 126 ? 10.695 48.338 -14.469 1.00 67.02 ? 126 LEU v CA 1 ? ? +48155 ATOM C CB . LEU AJ 16 126 ? 9.395 47.834 -13.836 1.00 66.52 ? 126 LEU v CB 1 ? ? +48156 ATOM C CG . LEU AJ 16 126 ? 9.349 47.840 -12.316 1.00 66.62 ? 126 LEU v CG 1 ? ? +48157 ATOM C CD1 . LEU AJ 16 126 ? 8.009 47.302 -11.808 1.00 66.24 ? 126 LEU v CD1 1 ? ? +48158 ATOM C CD2 . LEU AJ 16 126 ? 10.468 47.018 -11.718 1.00 66.25 ? 126 LEU v CD2 1 ? ? +48159 ATOM C C . LEU AJ 16 126 ? 10.700 47.935 -15.945 1.00 66.98 ? 126 LEU v C 1 ? ? +48160 ATOM O O . LEU AJ 16 126 ? 10.813 46.752 -16.254 1.00 66.16 ? 126 LEU v O 1 ? ? +48161 ATOM N N . GLY AJ 16 127 ? 10.587 48.909 -16.854 1.00 67.86 ? 127 GLY v N 1 ? ? +48162 ATOM C CA . GLY AJ 16 127 ? 10.541 48.615 -18.276 1.00 68.12 ? 127 GLY v CA 1 ? ? +48163 ATOM C C . GLY AJ 16 127 ? 9.383 47.688 -18.628 1.00 68.20 ? 127 GLY v C 1 ? ? +48164 ATOM O O . GLY AJ 16 127 ? 8.241 47.929 -18.232 1.00 68.83 ? 127 GLY v O 1 ? ? +48165 ATOM N N . ASP AJ 16 128 ? 9.690 46.608 -19.354 1.00 68.18 ? 128 ASP v N 1 ? ? +48166 ATOM C CA . ASP AJ 16 128 ? 8.667 45.693 -19.836 1.00 68.10 ? 128 ASP v CA 1 ? ? +48167 ATOM C CB . ASP AJ 16 128 ? 9.288 44.691 -20.820 1.00 68.53 ? 128 ASP v CB 1 ? ? +48168 ATOM C CG . ASP AJ 16 128 ? 9.613 45.305 -22.171 1.00 70.25 ? 128 ASP v CG 1 ? ? +48169 ATOM O OD1 . ASP AJ 16 128 ? 9.102 46.408 -22.467 1.00 72.08 ? 128 ASP v OD1 1 ? ? +48170 ATOM O OD2 . ASP AJ 16 128 ? 10.376 44.690 -22.932 1.00 71.24 ? 128 ASP v OD2 1 ? ? +48171 ATOM C C . ASP AJ 16 128 ? 7.918 44.958 -18.727 1.00 67.22 ? 128 ASP v C 1 ? ? +48172 ATOM O O . ASP AJ 16 128 ? 6.783 44.529 -18.927 1.00 67.05 ? 128 ASP v O 1 ? ? +48173 ATOM N N . LYS AJ 16 129 ? 8.547 44.820 -17.557 1.00 66.82 ? 129 LYS v N 1 ? ? +48174 ATOM C CA . LYS AJ 16 129 ? 7.891 44.197 -16.416 1.00 66.21 ? 129 LYS v CA 1 ? ? +48175 ATOM C CB . LYS AJ 16 129 ? 8.782 44.195 -15.165 1.00 66.90 ? 129 LYS v CB 1 ? ? +48176 ATOM C CG . LYS AJ 16 129 ? 9.967 43.257 -15.283 1.00 67.30 ? 129 LYS v CG 1 ? ? +48177 ATOM C CD . LYS AJ 16 129 ? 10.771 43.119 -13.995 1.00 68.08 ? 129 LYS v CD 1 ? ? +48178 ATOM C CE . LYS AJ 16 129 ? 12.112 42.474 -14.254 1.00 68.33 ? 129 LYS v CE 1 ? ? +48179 ATOM N NZ . LYS AJ 16 129 ? 11.963 41.143 -14.922 1.00 68.00 ? 129 LYS v NZ 1 ? ? +48180 ATOM C C . LYS AJ 16 129 ? 6.561 44.867 -16.082 1.00 65.45 ? 129 LYS v C 1 ? ? +48181 ATOM O O . LYS AJ 16 129 ? 5.617 44.180 -15.711 1.00 65.28 ? 129 LYS v O 1 ? ? +48182 ATOM N N . TRP AJ 16 130 ? 6.493 46.198 -16.206 1.00 65.07 ? 130 TRP v N 1 ? ? +48183 ATOM C CA . TRP AJ 16 130 ? 5.254 46.923 -15.970 1.00 64.59 ? 130 TRP v CA 1 ? ? +48184 ATOM C CB . TRP AJ 16 130 ? 5.503 48.417 -15.797 1.00 65.07 ? 130 TRP v CB 1 ? ? +48185 ATOM C CG . TRP AJ 16 130 ? 4.276 49.229 -15.492 1.00 65.13 ? 130 TRP v CG 1 ? ? +48186 ATOM C CD1 . TRP AJ 16 130 ? 3.613 50.068 -16.339 1.00 65.40 ? 130 TRP v CD1 1 ? ? +48187 ATOM N NE1 . TRP AJ 16 130 ? 2.562 50.655 -15.692 1.00 65.65 ? 130 TRP v NE1 1 ? ? +48188 ATOM C CE2 . TRP AJ 16 130 ? 2.530 50.212 -14.397 1.00 65.36 ? 130 TRP v CE2 1 ? ? +48189 ATOM C CZ2 . TRP AJ 16 130 ? 1.660 50.520 -13.357 1.00 65.56 ? 130 TRP v CZ2 1 ? ? +48190 ATOM C CH2 . TRP AJ 16 130 ? 1.886 49.919 -12.143 1.00 65.22 ? 130 TRP v CH2 1 ? ? +48191 ATOM C CZ3 . TRP AJ 16 130 ? 2.943 49.033 -11.954 1.00 64.67 ? 130 TRP v CZ3 1 ? ? +48192 ATOM C CE3 . TRP AJ 16 130 ? 3.805 48.725 -12.983 1.00 64.53 ? 130 TRP v CE3 1 ? ? +48193 ATOM C CD2 . TRP AJ 16 130 ? 3.606 49.321 -14.234 1.00 64.92 ? 130 TRP v CD2 1 ? ? +48194 ATOM C C . TRP AJ 16 130 ? 4.303 46.694 -17.138 1.00 64.09 ? 130 TRP v C 1 ? ? +48195 ATOM O O . TRP AJ 16 130 ? 4.622 47.059 -18.266 1.00 64.28 ? 130 TRP v O 1 ? ? +48196 ATOM N N . GLY AJ 16 131 ? 3.147 46.083 -16.845 1.00 63.29 ? 131 GLY v N 1 ? ? +48197 ATOM C CA . GLY AJ 16 131 ? 2.146 45.767 -17.854 1.00 62.81 ? 131 GLY v CA 1 ? ? +48198 ATOM C C . GLY AJ 16 131 ? 2.478 44.536 -18.695 1.00 61.70 ? 131 GLY v C 1 ? ? +48199 ATOM O O . GLY AJ 16 131 ? 1.757 44.211 -19.632 1.00 61.42 ? 131 GLY v O 1 ? ? +48200 ATOM N N . GLY AJ 16 132 ? 3.554 43.836 -18.326 1.00 60.96 ? 132 GLY v N 1 ? ? +48201 ATOM C CA . GLY AJ 16 132 ? 4.072 42.735 -19.117 1.00 60.13 ? 132 GLY v CA 1 ? ? +48202 ATOM C C . GLY AJ 16 132 ? 3.479 41.380 -18.752 1.00 59.18 ? 132 GLY v C 1 ? ? +48203 ATOM O O . GLY AJ 16 132 ? 3.487 40.468 -19.574 1.00 58.76 ? 132 GLY v O 1 ? ? +48204 ATOM N N . GLY AJ 16 133 ? 2.979 41.261 -17.517 1.00 58.87 ? 133 GLY v N 1 ? ? +48205 ATOM C CA . GLY AJ 16 133 ? 2.408 40.016 -17.034 1.00 58.04 ? 133 GLY v CA 1 ? ? +48206 ATOM C C . GLY AJ 16 133 ? 3.456 38.990 -16.609 1.00 57.31 ? 133 GLY v C 1 ? ? +48207 ATOM O O . GLY AJ 16 133 ? 4.636 39.315 -16.457 1.00 57.51 ? 133 GLY v O 1 ? ? +48208 ATOM N N A LYS AJ 16 134 ? 3.014 37.736 -16.464 0.40 56.56 ? 134 LYS v N 1 ? ? +48209 ATOM N N B LYS AJ 16 134 ? 2.999 37.744 -16.451 0.60 56.60 ? 134 LYS v N 1 ? ? +48210 ATOM C CA A LYS AJ 16 134 ? 3.831 36.682 -15.882 0.40 55.90 ? 134 LYS v CA 1 ? ? +48211 ATOM C CA B LYS AJ 16 134 ? 3.806 36.677 -15.880 0.60 55.95 ? 134 LYS v CA 1 ? ? +48212 ATOM C C A LYS AJ 16 134 ? 5.083 36.349 -16.691 0.40 55.54 ? 134 LYS v C 1 ? ? +48213 ATOM C C B LYS AJ 16 134 ? 5.055 36.326 -16.683 0.60 55.53 ? 134 LYS v C 1 ? ? +48214 ATOM O O A LYS AJ 16 134 ? 6.049 35.823 -16.146 0.40 55.24 ? 134 LYS v O 1 ? ? +48215 ATOM O O B LYS AJ 16 134 ? 5.982 35.731 -16.146 0.60 55.16 ? 134 LYS v O 1 ? ? +48216 ATOM C CB A LYS AJ 16 134 ? 2.989 35.414 -15.707 0.40 55.34 ? 134 LYS v CB 1 ? ? +48217 ATOM C CB B LYS AJ 16 134 ? 2.957 35.411 -15.713 0.60 55.44 ? 134 LYS v CB 1 ? ? +48218 ATOM C CG A LYS AJ 16 134 ? 2.598 34.747 -17.010 0.40 55.04 ? 134 LYS v CG 1 ? ? +48219 ATOM C CG B LYS AJ 16 134 ? 2.553 34.754 -17.024 0.60 55.19 ? 134 LYS v CG 1 ? ? +48220 ATOM C CD A LYS AJ 16 134 ? 1.726 33.515 -16.793 0.40 54.57 ? 134 LYS v CD 1 ? ? +48221 ATOM C CD B LYS AJ 16 134 ? 1.761 33.473 -16.823 0.60 54.75 ? 134 LYS v CD 1 ? ? +48222 ATOM C CE A LYS AJ 16 134 ? 0.344 33.855 -16.295 0.40 54.83 ? 134 LYS v CE 1 ? ? +48223 ATOM C CE B LYS AJ 16 134 ? 0.370 33.709 -16.298 0.60 54.98 ? 134 LYS v CE 1 ? ? +48224 ATOM N NZ A LYS AJ 16 134 ? -0.461 32.632 -16.080 0.40 54.41 ? 134 LYS v NZ 1 ? ? +48225 ATOM N NZ B LYS AJ 16 134 ? -0.393 32.443 -16.246 0.60 54.56 ? 134 LYS v NZ 1 ? ? +48226 ATOM N N A VAL AJ 16 135 ? 5.054 36.644 -17.994 0.40 55.56 ? 135 VAL v N 1 ? ? +48227 ATOM N N B VAL AJ 16 135 ? 5.057 36.652 -17.978 0.60 55.55 ? 135 VAL v N 1 ? ? +48228 ATOM C CA A VAL AJ 16 135 ? 6.190 36.384 -18.864 0.40 55.35 ? 135 VAL v CA 1 ? ? +48229 ATOM C CA B VAL AJ 16 135 ? 6.196 36.357 -18.830 0.60 55.33 ? 135 VAL v CA 1 ? ? +48230 ATOM C C A VAL AJ 16 135 ? 7.462 37.042 -18.332 0.40 55.60 ? 135 VAL v C 1 ? ? +48231 ATOM C C B VAL AJ 16 135 ? 7.464 37.027 -18.303 0.60 55.59 ? 135 VAL v C 1 ? ? +48232 ATOM O O A VAL AJ 16 135 ? 8.542 36.475 -18.462 0.40 55.35 ? 135 VAL v O 1 ? ? +48233 ATOM O O B VAL AJ 16 135 ? 8.543 36.452 -18.405 0.60 55.32 ? 135 VAL v O 1 ? ? +48234 ATOM C CB A VAL AJ 16 135 ? 5.920 36.832 -20.319 0.40 55.58 ? 135 VAL v CB 1 ? ? +48235 ATOM C CB B VAL AJ 16 135 ? 5.915 36.751 -20.295 0.60 55.52 ? 135 VAL v CB 1 ? ? +48236 ATOM C CG1 A VAL AJ 16 135 ? 7.203 36.825 -21.136 0.40 55.58 ? 135 VAL v CG1 1 ? ? +48237 ATOM C CG1 B VAL AJ 16 135 ? 7.183 36.716 -21.132 0.60 55.50 ? 135 VAL v CG1 1 ? ? +48238 ATOM C CG2 A VAL AJ 16 135 ? 4.855 35.967 -20.975 0.40 55.19 ? 135 VAL v CG2 1 ? ? +48239 ATOM C CG2 B VAL AJ 16 135 ? 4.847 35.860 -20.906 0.60 55.12 ? 135 VAL v CG2 1 ? ? +48240 ATOM N N . TYR AJ 16 136 ? 7.319 38.224 -17.719 1.00 56.15 ? 136 TYR v N 1 ? ? +48241 ATOM C CA . TYR AJ 16 136 ? 8.446 38.992 -17.211 1.00 56.46 ? 136 TYR v CA 1 ? ? +48242 ATOM C CB . TYR AJ 16 136 ? 8.310 40.441 -17.705 1.00 57.26 ? 136 TYR v CB 1 ? ? +48243 ATOM C CG . TYR AJ 16 136 ? 8.237 40.551 -19.202 1.00 57.41 ? 136 TYR v CG 1 ? ? +48244 ATOM C CD1 . TYR AJ 16 136 ? 9.389 40.564 -19.976 1.00 57.52 ? 136 TYR v CD1 1 ? ? +48245 ATOM C CD2 . TYR AJ 16 136 ? 7.015 40.611 -19.852 1.00 57.49 ? 136 TYR v CD2 1 ? ? +48246 ATOM C CE1 . TYR AJ 16 136 ? 9.325 40.652 -21.365 1.00 57.68 ? 136 TYR v CE1 1 ? ? +48247 ATOM C CE2 . TYR AJ 16 136 ? 6.935 40.684 -21.238 1.00 57.62 ? 136 TYR v CE2 1 ? ? +48248 ATOM C CZ . TYR AJ 16 136 ? 8.090 40.704 -21.993 1.00 57.74 ? 136 TYR v CZ 1 ? ? +48249 ATOM O OH . TYR AJ 16 136 ? 7.983 40.784 -23.362 1.00 57.97 ? 136 TYR v OH 1 ? ? +48250 ATOM C C . TYR AJ 16 136 ? 8.616 39.009 -15.690 1.00 56.38 ? 136 TYR v C 1 ? ? +48251 ATOM O O . TYR AJ 16 136 ? 9.345 39.846 -15.170 1.00 56.88 ? 136 TYR v O 1 ? ? +48252 ATOM N N A TYR AJ 16 137 ? 7.939 38.087 -14.995 0.40 55.87 ? 137 TYR v N 1 ? ? +48253 ATOM N N B TYR AJ 16 137 ? 7.948 38.095 -14.980 0.60 55.86 ? 137 TYR v N 1 ? ? +48254 ATOM C CA A TYR AJ 16 137 ? 8.061 37.965 -13.552 0.40 55.82 ? 137 TYR v CA 1 ? ? +48255 ATOM C CA B TYR AJ 16 137 ? 8.081 38.004 -13.534 0.60 55.83 ? 137 TYR v CA 1 ? ? +48256 ATOM C C A TYR AJ 16 137 ? 9.432 37.459 -13.156 0.40 55.63 ? 137 TYR v C 1 ? ? +48257 ATOM C C B TYR AJ 16 137 ? 9.462 37.510 -13.132 0.60 55.63 ? 137 TYR v C 1 ? ? +48258 ATOM O O A TYR AJ 16 137 ? 9.910 37.757 -12.070 0.40 55.83 ? 137 TYR v O 1 ? ? +48259 ATOM O O B TYR AJ 16 137 ? 9.863 37.666 -11.985 0.60 55.76 ? 137 TYR v O 1 ? ? +48260 ATOM C CB A TYR AJ 16 137 ? 7.018 36.994 -12.987 0.40 55.37 ? 137 TYR v CB 1 ? ? +48261 ATOM C CB B TYR AJ 16 137 ? 7.039 37.043 -12.947 0.60 55.37 ? 137 TYR v CB 1 ? ? +48262 ATOM C CG A TYR AJ 16 137 ? 5.628 37.561 -12.814 0.40 55.64 ? 137 TYR v CG 1 ? ? +48263 ATOM C CG B TYR AJ 16 137 ? 5.629 37.569 -12.809 0.60 55.63 ? 137 TYR v CG 1 ? ? +48264 ATOM C CD1 A TYR AJ 16 137 ? 5.316 38.839 -13.246 0.40 56.24 ? 137 TYR v CD1 1 ? ? +48265 ATOM C CD1 B TYR AJ 16 137 ? 5.277 38.824 -13.286 0.60 56.23 ? 137 TYR v CD1 1 ? ? +48266 ATOM C CD2 A TYR AJ 16 137 ? 4.627 36.818 -12.208 0.40 55.35 ? 137 TYR v CD2 1 ? ? +48267 ATOM C CD2 B TYR AJ 16 137 ? 4.646 36.811 -12.197 0.60 55.36 ? 137 TYR v CD2 1 ? ? +48268 ATOM C CE1 A TYR AJ 16 137 ? 4.041 39.365 -13.081 0.40 56.54 ? 137 TYR v CE1 1 ? ? +48269 ATOM C CE1 B TYR AJ 16 137 ? 3.980 39.309 -13.153 0.60 56.52 ? 137 TYR v CE1 1 ? ? +48270 ATOM C CE2 A TYR AJ 16 137 ? 3.349 37.331 -12.040 0.40 55.67 ? 137 TYR v CE2 1 ? ? +48271 ATOM C CE2 B TYR AJ 16 137 ? 3.346 37.282 -12.061 0.60 55.66 ? 137 TYR v CE2 1 ? ? +48272 ATOM C CZ A TYR AJ 16 137 ? 3.058 38.606 -12.476 0.40 56.25 ? 137 TYR v CZ 1 ? ? +48273 ATOM C CZ B TYR AJ 16 137 ? 3.016 38.533 -12.536 0.60 56.22 ? 137 TYR v CZ 1 ? ? +48274 ATOM O OH A TYR AJ 16 137 ? 1.791 39.098 -12.298 0.40 56.57 ? 137 TYR v OH 1 ? ? +48275 ATOM O OH B TYR AJ 16 137 ? 1.727 38.969 -12.383 0.60 56.52 ? 137 TYR v OH 1 ? ? +48276 ATOM O OXT A TYR AJ 16 137 ? 10.048 36.716 -13.908 0.40 55.25 ? 137 TYR v OXT 1 ? ? +48277 ATOM O OXT B TYR AJ 16 137 ? 10.162 36.921 -13.942 0.60 55.34 ? 137 TYR v OXT 1 ? ? +48278 ATOM N N . THR AK 17 1 ? 60.165 29.956 -17.526 1.00 85.46 ? 2 THR x N 1 ? ? +48279 ATOM C CA . THR AK 17 1 ? 60.193 31.084 -16.600 1.00 85.97 ? 2 THR x CA 1 ? ? +48280 ATOM C CB . THR AK 17 1 ? 59.860 32.391 -17.380 1.00 86.91 ? 2 THR x CB 1 ? ? +48281 ATOM O OG1 . THR AK 17 1 ? 58.805 32.123 -18.305 1.00 85.72 ? 2 THR x OG1 1 ? ? +48282 ATOM C CG2 . THR AK 17 1 ? 61.072 32.962 -18.141 1.00 88.11 ? 2 THR x CG2 1 ? ? +48283 ATOM C C . THR AK 17 1 ? 59.265 30.812 -15.414 1.00 83.85 ? 2 THR x C 1 ? ? +48284 ATOM O O . THR AK 17 1 ? 58.599 29.783 -15.368 1.00 82.99 ? 2 THR x O 1 ? ? +48285 ATOM N N . ILE AK 17 2 ? 59.253 31.735 -14.447 1.00 82.94 ? 3 ILE x N 1 ? ? +48286 ATOM C CA . ILE AK 17 2 ? 58.389 31.637 -13.280 1.00 81.01 ? 3 ILE x CA 1 ? ? +48287 ATOM C CB . ILE AK 17 2 ? 59.037 32.139 -11.956 1.00 81.76 ? 3 ILE x CB 1 ? ? +48288 ATOM C CG1 . ILE AK 17 2 ? 60.553 31.824 -11.845 1.00 82.99 ? 3 ILE x CG1 1 ? ? +48289 ATOM C CG2 . ILE AK 17 2 ? 58.240 31.637 -10.758 1.00 80.79 ? 3 ILE x CG2 1 ? ? +48290 ATOM C CD1 . ILE AK 17 2 ? 61.456 32.911 -12.554 1.00 84.26 ? 3 ILE x CD1 1 ? ? +48291 ATOM C C . ILE AK 17 2 ? 57.131 32.444 -13.588 1.00 79.38 ? 3 ILE x C 1 ? ? +48292 ATOM O O . ILE AK 17 2 ? 57.083 33.647 -13.331 1.00 79.80 ? 3 ILE x O 1 ? ? +48293 ATOM N N . THR AK 17 3 ? 56.115 31.777 -14.143 1.00 77.40 ? 4 THR x N 1 ? ? +48294 ATOM C CA . THR AK 17 3 ? 54.860 32.448 -14.444 1.00 76.16 ? 4 THR x CA 1 ? ? +48295 ATOM C CB . THR AK 17 3 ? 53.916 31.540 -15.217 1.00 74.92 ? 4 THR x CB 1 ? ? +48296 ATOM O OG1 . THR AK 17 3 ? 53.575 30.437 -14.388 1.00 74.53 ? 4 THR x OG1 1 ? ? +48297 ATOM C CG2 . THR AK 17 3 ? 54.513 31.033 -16.515 1.00 74.92 ? 4 THR x CG2 1 ? ? +48298 ATOM C C . THR AK 17 3 ? 54.211 32.945 -13.155 1.00 75.37 ? 4 THR x C 1 ? ? +48299 ATOM O O . THR AK 17 3 ? 54.502 32.440 -12.071 1.00 74.98 ? 4 THR x O 1 ? ? +48300 ATOM N N . PRO AK 17 4 ? 53.322 33.960 -13.237 1.00 75.00 ? 5 PRO x N 1 ? ? +48301 ATOM C CA . PRO AK 17 4 ? 52.543 34.401 -12.077 1.00 74.76 ? 5 PRO x CA 1 ? ? +48302 ATOM C CB . PRO AK 17 4 ? 51.485 35.334 -12.699 1.00 74.50 ? 5 PRO x CB 1 ? ? +48303 ATOM C CG . PRO AK 17 4 ? 52.125 35.838 -13.963 1.00 75.08 ? 5 PRO x CG 1 ? ? +48304 ATOM C CD . PRO AK 17 4 ? 53.002 34.713 -14.462 1.00 75.05 ? 5 PRO x CD 1 ? ? +48305 ATOM C C . PRO AK 17 4 ? 51.878 33.268 -11.289 1.00 73.42 ? 5 PRO x C 1 ? ? +48306 ATOM O O . PRO AK 17 4 ? 51.872 33.298 -10.060 1.00 73.47 ? 5 PRO x O 1 ? ? +48307 ATOM N N . SER AK 17 5 ? 51.334 32.267 -11.992 1.00 72.12 ? 6 SER x N 1 ? ? +48308 ATOM C CA . SER AK 17 5 ? 50.653 31.166 -11.324 1.00 71.30 ? 6 SER x CA 1 ? ? +48309 ATOM C CB . SER AK 17 5 ? 49.677 30.464 -12.264 1.00 70.23 ? 6 SER x CB 1 ? ? +48310 ATOM O OG . SER AK 17 5 ? 50.371 29.738 -13.262 1.00 70.43 ? 6 SER x OG 1 ? ? +48311 ATOM C C . SER AK 17 5 ? 51.607 30.152 -10.693 1.00 71.30 ? 6 SER x C 1 ? ? +48312 ATOM O O . SER AK 17 5 ? 51.266 29.513 -9.705 1.00 70.52 ? 6 SER x O 1 ? ? +48313 ATOM N N . LEU AK 17 6 ? 52.816 30.004 -11.240 1.00 72.16 ? 7 LEU x N 1 ? ? +48314 ATOM C CA . LEU AK 17 6 ? 53.812 29.158 -10.598 1.00 72.47 ? 7 LEU x CA 1 ? ? +48315 ATOM C CB . LEU AK 17 6 ? 55.027 28.941 -11.512 1.00 73.35 ? 7 LEU x CB 1 ? ? +48316 ATOM C CG . LEU AK 17 6 ? 56.112 27.988 -10.964 1.00 74.01 ? 7 LEU x CG 1 ? ? +48317 ATOM C CD1 . LEU AK 17 6 ? 55.520 26.617 -10.591 1.00 73.07 ? 7 LEU x CD1 1 ? ? +48318 ATOM C CD2 . LEU AK 17 6 ? 57.259 27.804 -11.962 1.00 74.55 ? 7 LEU x CD2 1 ? ? +48319 ATOM C C . LEU AK 17 6 ? 54.208 29.778 -9.258 1.00 72.94 ? 7 LEU x C 1 ? ? +48320 ATOM O O . LEU AK 17 6 ? 54.349 29.076 -8.257 1.00 72.48 ? 7 LEU x O 1 ? ? +48321 ATOM N N . LYS AK 17 7 ? 54.361 31.106 -9.251 1.00 73.85 ? 8 LYS x N 1 ? ? +48322 ATOM C CA . LYS AK 17 7 ? 54.565 31.864 -8.026 1.00 74.68 ? 8 LYS x CA 1 ? ? +48323 ATOM C CB . LYS AK 17 7 ? 54.778 33.359 -8.374 1.00 76.14 ? 8 LYS x CB 1 ? ? +48324 ATOM C CG . LYS AK 17 7 ? 54.495 34.388 -7.275 1.00 77.31 ? 8 LYS x CG 1 ? ? +48325 ATOM C CD . LYS AK 17 7 ? 54.734 35.829 -7.792 1.00 78.80 ? 8 LYS x CD 1 ? ? +48326 ATOM C CE . LYS AK 17 7 ? 54.785 36.903 -6.696 1.00 80.13 ? 8 LYS x CE 1 ? ? +48327 ATOM N NZ . LYS AK 17 7 ? 53.410 37.376 -6.287 1.00 79.73 ? 8 LYS x NZ 1 ? ? +48328 ATOM C C . LYS AK 17 7 ? 53.390 31.620 -7.079 1.00 73.38 ? 8 LYS x C 1 ? ? +48329 ATOM O O . LYS AK 17 7 ? 53.591 31.283 -5.915 1.00 73.42 ? 8 LYS x O 1 ? ? +48330 ATOM N N . GLY AK 17 8 ? 52.164 31.768 -7.597 1.00 72.19 ? 9 GLY x N 1 ? ? +48331 ATOM C CA . GLY AK 17 8 ? 50.957 31.444 -6.847 1.00 71.06 ? 9 GLY x CA 1 ? ? +48332 ATOM C C . GLY AK 17 8 ? 50.996 30.051 -6.222 1.00 70.26 ? 9 GLY x C 1 ? ? +48333 ATOM O O . GLY AK 17 8 ? 50.624 29.872 -5.064 1.00 69.78 ? 9 GLY x O 1 ? ? +48334 ATOM N N . PHE AK 17 9 ? 51.483 29.079 -7.002 1.00 70.00 ? 10 PHE x N 1 ? ? +48335 ATOM C CA . PHE AK 17 9 ? 51.653 27.714 -6.539 1.00 69.78 ? 10 PHE x CA 1 ? ? +48336 ATOM C CB . PHE AK 17 9 ? 52.115 26.807 -7.694 1.00 69.17 ? 10 PHE x CB 1 ? ? +48337 ATOM C CG . PHE AK 17 9 ? 52.281 25.359 -7.298 1.00 68.58 ? 10 PHE x CG 1 ? ? +48338 ATOM C CD1 . PHE AK 17 9 ? 51.177 24.551 -7.084 1.00 67.47 ? 10 PHE x CD1 1 ? ? +48339 ATOM C CD2 . PHE AK 17 9 ? 53.539 24.829 -7.062 1.00 69.19 ? 10 PHE x CD2 1 ? ? +48340 ATOM C CE1 . PHE AK 17 9 ? 51.331 23.232 -6.696 1.00 67.03 ? 10 PHE x CE1 1 ? ? +48341 ATOM C CE2 . PHE AK 17 9 ? 53.689 23.509 -6.668 1.00 68.75 ? 10 PHE x CE2 1 ? ? +48342 ATOM C CZ . PHE AK 17 9 ? 52.581 22.719 -6.492 1.00 67.70 ? 10 PHE x CZ 1 ? ? +48343 ATOM C C . PHE AK 17 9 ? 52.602 27.613 -5.347 1.00 71.38 ? 10 PHE x C 1 ? ? +48344 ATOM O O . PHE AK 17 9 ? 52.272 26.934 -4.380 1.00 71.46 ? 10 PHE x O 1 ? ? +48345 ATOM N N . PHE AK 17 10 ? 53.765 28.279 -5.396 1.00 73.12 ? 11 PHE x N 1 ? ? +48346 ATOM C CA . PHE AK 17 10 ? 54.687 28.223 -4.273 1.00 74.76 ? 11 PHE x CA 1 ? ? +48347 ATOM C CB . PHE AK 17 10 ? 56.064 28.844 -4.627 1.00 76.48 ? 11 PHE x CB 1 ? ? +48348 ATOM C CG . PHE AK 17 10 ? 56.834 27.999 -5.613 1.00 77.18 ? 11 PHE x CG 1 ? ? +48349 ATOM C CD1 . PHE AK 17 10 ? 57.056 26.651 -5.370 1.00 77.22 ? 11 PHE x CD1 1 ? ? +48350 ATOM C CD2 . PHE AK 17 10 ? 57.327 28.547 -6.788 1.00 78.06 ? 11 PHE x CD2 1 ? ? +48351 ATOM C CE1 . PHE AK 17 10 ? 57.742 25.865 -6.291 1.00 77.37 ? 11 PHE x CE1 1 ? ? +48352 ATOM C CE2 . PHE AK 17 10 ? 58.019 27.761 -7.701 1.00 78.35 ? 11 PHE x CE2 1 ? ? +48353 ATOM C CZ . PHE AK 17 10 ? 58.212 26.422 -7.452 1.00 78.01 ? 11 PHE x CZ 1 ? ? +48354 ATOM C C . PHE AK 17 10 ? 54.121 28.886 -3.019 1.00 75.18 ? 11 PHE x C 1 ? ? +48355 ATOM O O . PHE AK 17 10 ? 54.350 28.407 -1.912 1.00 75.86 ? 11 PHE x O 1 ? ? +48356 ATOM N N . ILE AK 17 11 ? 53.409 30.004 -3.189 1.00 75.29 ? 12 ILE x N 1 ? ? +48357 ATOM C CA . ILE AK 17 11 ? 52.771 30.667 -2.065 1.00 75.58 ? 12 ILE x CA 1 ? ? +48358 ATOM C CB . ILE AK 17 11 ? 52.055 31.973 -2.490 1.00 75.96 ? 12 ILE x CB 1 ? ? +48359 ATOM C CG1 . ILE AK 17 11 ? 53.098 33.070 -2.847 1.00 77.27 ? 12 ILE x CG1 1 ? ? +48360 ATOM C CG2 . ILE AK 17 11 ? 51.057 32.453 -1.410 1.00 75.78 ? 12 ILE x CG2 1 ? ? +48361 ATOM C CD1 . ILE AK 17 11 ? 52.469 34.452 -3.265 1.00 77.57 ? 12 ILE x CD1 1 ? ? +48362 ATOM C C . ILE AK 17 11 ? 51.806 29.699 -1.388 1.00 74.48 ? 12 ILE x C 1 ? ? +48363 ATOM O O . ILE AK 17 11 ? 51.828 29.560 -0.168 1.00 75.03 ? 12 ILE x O 1 ? ? +48364 ATOM N N . GLY AK 17 12 ? 50.964 29.042 -2.191 1.00 72.99 ? 13 GLY x N 1 ? ? +48365 ATOM C CA . GLY AK 17 12 ? 50.068 28.029 -1.671 1.00 71.99 ? 13 GLY x CA 1 ? ? +48366 ATOM C C . GLY AK 17 12 ? 50.807 26.955 -0.879 1.00 72.03 ? 13 GLY x C 1 ? ? +48367 ATOM O O . GLY AK 17 12 ? 50.392 26.577 0.214 1.00 71.88 ? 13 GLY x O 1 ? ? +48368 ATOM N N . LEU AK 17 13 ? 51.919 26.484 -1.444 1.00 72.38 ? 14 LEU x N 1 ? ? +48369 ATOM C CA . LEU AK 17 13 ? 52.680 25.400 -0.857 1.00 72.56 ? 14 LEU x CA 1 ? ? +48370 ATOM C CB . LEU AK 17 13 ? 53.750 24.941 -1.860 1.00 73.06 ? 14 LEU x CB 1 ? ? +48371 ATOM C CG . LEU AK 17 13 ? 54.290 23.538 -1.660 1.00 73.14 ? 14 LEU x CG 1 ? ? +48372 ATOM C CD1 . LEU AK 17 13 ? 53.190 22.484 -1.683 1.00 71.95 ? 14 LEU x CD1 1 ? ? +48373 ATOM C CD2 . LEU AK 17 13 ? 55.327 23.202 -2.725 1.00 73.69 ? 14 LEU x CD2 1 ? ? +48374 ATOM C C . LEU AK 17 13 ? 53.288 25.832 0.474 1.00 73.15 ? 14 LEU x C 1 ? ? +48375 ATOM O O . LEU AK 17 13 ? 53.170 25.111 1.457 1.00 73.24 ? 14 LEU x O 1 ? ? +48376 ATOM N N . LEU AK 17 14 ? 53.907 27.017 0.504 1.00 73.83 ? 15 LEU x N 1 ? ? +48377 ATOM C CA . LEU AK 17 14 ? 54.491 27.559 1.723 1.00 74.48 ? 15 LEU x CA 1 ? ? +48378 ATOM C CB . LEU AK 17 14 ? 55.220 28.890 1.457 1.00 75.76 ? 15 LEU x CB 1 ? ? +48379 ATOM C CG . LEU AK 17 14 ? 56.771 28.917 1.516 1.00 77.42 ? 15 LEU x CG 1 ? ? +48380 ATOM C CD1 . LEU AK 17 14 ? 57.262 29.719 2.742 1.00 78.46 ? 15 LEU x CD1 1 ? ? +48381 ATOM C CD2 . LEU AK 17 14 ? 57.420 27.512 1.503 1.00 77.48 ? 15 LEU x CD2 1 ? ? +48382 ATOM C C . LEU AK 17 14 ? 53.437 27.801 2.799 1.00 73.56 ? 15 LEU x C 1 ? ? +48383 ATOM O O . LEU AK 17 14 ? 53.679 27.536 3.971 1.00 73.76 ? 15 LEU x O 1 ? ? +48384 ATOM N N . SER AK 17 15 ? 52.274 28.323 2.390 1.00 72.39 ? 16 SER x N 1 ? ? +48385 ATOM C CA . SER AK 17 15 ? 51.164 28.552 3.303 1.00 71.62 ? 16 SER x CA 1 ? ? +48386 ATOM C CB . SER AK 17 15 ? 49.985 29.179 2.578 1.00 70.88 ? 16 SER x CB 1 ? ? +48387 ATOM O OG . SER AK 17 15 ? 50.227 30.546 2.312 1.00 71.53 ? 16 SER x OG 1 ? ? +48388 ATOM C C . SER AK 17 15 ? 50.706 27.272 3.991 1.00 70.74 ? 16 SER x C 1 ? ? +48389 ATOM O O . SER AK 17 15 ? 50.608 27.235 5.212 1.00 71.09 ? 16 SER x O 1 ? ? +48390 ATOM N N . GLY AK 17 16 ? 50.435 26.234 3.193 1.00 69.72 ? 17 GLY x N 1 ? ? +48391 ATOM C CA . GLY AK 17 16 ? 50.116 24.917 3.716 1.00 69.12 ? 17 GLY x CA 1 ? ? +48392 ATOM C C . GLY AK 17 16 ? 51.153 24.362 4.692 1.00 69.94 ? 17 GLY x C 1 ? ? +48393 ATOM O O . GLY AK 17 16 ? 50.803 23.863 5.762 1.00 69.79 ? 17 GLY x O 1 ? ? +48394 ATOM N N . ALA AK 17 17 ? 52.436 24.473 4.318 1.00 70.81 ? 18 ALA x N 1 ? ? +48395 ATOM C CA . ALA AK 17 17 ? 53.520 23.951 5.134 1.00 71.44 ? 18 ALA x CA 1 ? ? +48396 ATOM C CB . ALA AK 17 17 ? 54.841 24.080 4.413 1.00 72.12 ? 18 ALA x CB 1 ? ? +48397 ATOM C C . ALA AK 17 17 ? 53.563 24.673 6.475 1.00 72.26 ? 18 ALA x C 1 ? ? +48398 ATOM O O . ALA AK 17 17 ? 53.700 24.034 7.517 1.00 72.27 ? 18 ALA x O 1 ? ? +48399 ATOM N N . VAL AK 17 18 ? 53.415 26.004 6.432 1.00 72.97 ? 19 VAL x N 1 ? ? +48400 ATOM C CA . VAL AK 17 18 ? 53.458 26.816 7.637 1.00 73.92 ? 19 VAL x CA 1 ? ? +48401 ATOM C CB . VAL AK 17 18 ? 53.505 28.333 7.334 1.00 74.48 ? 19 VAL x CB 1 ? ? +48402 ATOM C CG1 . VAL AK 17 18 ? 53.090 29.164 8.553 1.00 74.90 ? 19 VAL x CG1 1 ? ? +48403 ATOM C CG2 . VAL AK 17 18 ? 54.893 28.744 6.855 1.00 75.42 ? 19 VAL x CG2 1 ? ? +48404 ATOM C C . VAL AK 17 18 ? 52.284 26.467 8.545 1.00 73.46 ? 19 VAL x C 1 ? ? +48405 ATOM O O . VAL AK 17 18 ? 52.475 26.289 9.744 1.00 74.18 ? 19 VAL x O 1 ? ? +48406 ATOM N N . VAL AK 17 19 ? 51.081 26.357 7.972 1.00 72.51 ? 20 VAL x N 1 ? ? +48407 ATOM C CA . VAL AK 17 19 ? 49.906 25.999 8.749 1.00 71.94 ? 20 VAL x CA 1 ? ? +48408 ATOM C CB . VAL AK 17 19 ? 48.595 26.108 7.900 1.00 70.92 ? 20 VAL x CB 1 ? ? +48409 ATOM C CG1 . VAL AK 17 19 ? 47.402 25.440 8.579 1.00 70.00 ? 20 VAL x CG1 1 ? ? +48410 ATOM C CG2 . VAL AK 17 19 ? 48.264 27.567 7.588 1.00 71.22 ? 20 VAL x CG2 1 ? ? +48411 ATOM C C . VAL AK 17 19 ? 50.097 24.623 9.384 1.00 71.99 ? 20 VAL x C 1 ? ? +48412 ATOM O O . VAL AK 17 19 ? 49.907 24.485 10.586 1.00 72.36 ? 20 VAL x O 1 ? ? +48413 ATOM N N . LEU AK 17 20 ? 50.506 23.621 8.598 1.00 72.06 ? 21 LEU x N 1 ? ? +48414 ATOM C CA . LEU AK 17 20 ? 50.775 22.299 9.146 1.00 72.61 ? 21 LEU x CA 1 ? ? +48415 ATOM C CB . LEU AK 17 20 ? 51.148 21.307 8.040 1.00 72.37 ? 21 LEU x CB 1 ? ? +48416 ATOM C CG . LEU AK 17 20 ? 50.014 20.718 7.176 1.00 71.51 ? 21 LEU x CG 1 ? ? +48417 ATOM C CD1 . LEU AK 17 20 ? 50.356 19.303 6.718 1.00 71.23 ? 21 LEU x CD1 1 ? ? +48418 ATOM C CD2 . LEU AK 17 20 ? 48.641 20.654 7.882 1.00 71.01 ? 21 LEU x CD2 1 ? ? +48419 ATOM C C . LEU AK 17 20 ? 51.905 22.292 10.176 1.00 74.40 ? 21 LEU x C 1 ? ? +48420 ATOM O O . LEU AK 17 20 ? 51.787 21.664 11.228 1.00 74.63 ? 21 LEU x O 1 ? ? +48421 ATOM N N . GLY AK 17 21 ? 53.012 22.976 9.861 1.00 75.82 ? 22 GLY x N 1 ? ? +48422 ATOM C CA . GLY AK 17 21 ? 54.142 23.064 10.769 1.00 77.40 ? 22 GLY x CA 1 ? ? +48423 ATOM C C . GLY AK 17 21 ? 53.745 23.570 12.153 1.00 78.51 ? 22 GLY x C 1 ? ? +48424 ATOM O O . GLY AK 17 21 ? 53.986 22.897 13.152 1.00 78.89 ? 22 GLY x O 1 ? ? +48425 ATOM N N . LEU AK 17 22 ? 53.132 24.761 12.195 1.00 79.37 ? 23 LEU x N 1 ? ? +48426 ATOM C CA . LEU AK 17 22 ? 52.688 25.358 13.445 1.00 80.35 ? 23 LEU x CA 1 ? ? +48427 ATOM C CB . LEU AK 17 22 ? 51.978 26.707 13.224 1.00 80.62 ? 23 LEU x CB 1 ? ? +48428 ATOM C CG . LEU AK 17 22 ? 52.877 27.939 12.984 1.00 81.82 ? 23 LEU x CG 1 ? ? +48429 ATOM C CD1 . LEU AK 17 22 ? 52.173 29.190 13.427 1.00 82.23 ? 23 LEU x CD1 1 ? ? +48430 ATOM C CD2 . LEU AK 17 22 ? 54.246 27.820 13.675 1.00 82.87 ? 23 LEU x CD2 1 ? ? +48431 ATOM C C . LEU AK 17 22 ? 51.747 24.417 14.193 1.00 79.85 ? 23 LEU x C 1 ? ? +48432 ATOM O O . LEU AK 17 22 ? 51.925 24.204 15.390 1.00 81.00 ? 23 LEU x O 1 ? ? +48433 ATOM N N . THR AK 17 23 ? 50.759 23.860 13.485 1.00 78.19 ? 24 THR x N 1 ? ? +48434 ATOM C CA . THR AK 17 23 ? 49.829 22.925 14.092 1.00 77.45 ? 24 THR x CA 1 ? ? +48435 ATOM C CB . THR AK 17 23 ? 48.878 22.323 13.043 1.00 76.31 ? 24 THR x CB 1 ? ? +48436 ATOM O OG1 . THR AK 17 23 ? 48.025 23.344 12.513 1.00 75.70 ? 24 THR x OG1 1 ? ? +48437 ATOM C CG2 . THR AK 17 23 ? 48.017 21.223 13.613 1.00 75.72 ? 24 THR x CG2 1 ? ? +48438 ATOM C C . THR AK 17 23 ? 50.596 21.846 14.850 1.00 77.85 ? 24 THR x C 1 ? ? +48439 ATOM O O . THR AK 17 23 ? 50.420 21.693 16.056 1.00 78.29 ? 24 THR x O 1 ? ? +48440 ATOM N N . PHE AK 17 24 ? 51.471 21.122 14.147 1.00 78.10 ? 25 PHE x N 1 ? ? +48441 ATOM C CA . PHE AK 17 24 ? 52.211 20.038 14.776 1.00 78.93 ? 25 PHE x CA 1 ? ? +48442 ATOM C CB . PHE AK 17 24 ? 52.967 19.181 13.738 1.00 79.14 ? 25 PHE x CB 1 ? ? +48443 ATOM C CG . PHE AK 17 24 ? 52.080 18.118 13.144 1.00 78.70 ? 25 PHE x CG 1 ? ? +48444 ATOM C CD1 . PHE AK 17 24 ? 51.679 17.018 13.896 1.00 78.75 ? 25 PHE x CD1 1 ? ? +48445 ATOM C CD2 . PHE AK 17 24 ? 51.590 18.244 11.859 1.00 78.44 ? 25 PHE x CD2 1 ? ? +48446 ATOM C CE1 . PHE AK 17 24 ? 50.827 16.057 13.356 1.00 77.88 ? 25 PHE x CE1 1 ? ? +48447 ATOM C CE2 . PHE AK 17 24 ? 50.743 17.274 11.315 1.00 77.51 ? 25 PHE x CE2 1 ? ? +48448 ATOM C CZ . PHE AK 17 24 ? 50.368 16.187 12.067 1.00 77.27 ? 25 PHE x CZ 1 ? ? +48449 ATOM C C . PHE AK 17 24 ? 53.154 20.527 15.873 1.00 80.01 ? 25 PHE x C 1 ? ? +48450 ATOM O O . PHE AK 17 24 ? 53.284 19.869 16.902 1.00 80.35 ? 25 PHE x O 1 ? ? +48451 ATOM N N . ALA AK 17 25 ? 53.784 21.688 15.666 1.00 80.64 ? 26 ALA x N 1 ? ? +48452 ATOM C CA . ALA AK 17 25 ? 54.663 22.263 16.673 1.00 81.84 ? 26 ALA x CA 1 ? ? +48453 ATOM C CB . ALA AK 17 25 ? 55.294 23.553 16.168 1.00 82.59 ? 26 ALA x CB 1 ? ? +48454 ATOM C C . ALA AK 17 25 ? 53.897 22.514 17.969 1.00 81.76 ? 26 ALA x C 1 ? ? +48455 ATOM O O . ALA AK 17 25 ? 54.337 22.107 19.036 1.00 82.25 ? 26 ALA x O 1 ? ? +48456 ATOM N N . VAL AK 17 26 ? 52.740 23.175 17.870 1.00 80.98 ? 27 VAL x N 1 ? ? +48457 ATOM C CA . VAL AK 17 26 ? 51.928 23.459 19.041 1.00 81.05 ? 27 VAL x CA 1 ? ? +48458 ATOM C CB . VAL AK 17 26 ? 50.719 24.350 18.666 1.00 80.82 ? 27 VAL x CB 1 ? ? +48459 ATOM C CG1 . VAL AK 17 26 ? 49.692 24.444 19.804 1.00 80.82 ? 27 VAL x CG1 1 ? ? +48460 ATOM C CG2 . VAL AK 17 26 ? 51.198 25.741 18.231 1.00 81.39 ? 27 VAL x CG2 1 ? ? +48461 ATOM C C . VAL AK 17 26 ? 51.506 22.163 19.732 1.00 80.31 ? 27 VAL x C 1 ? ? +48462 ATOM O O . VAL AK 17 26 ? 51.688 22.035 20.939 1.00 81.09 ? 27 VAL x O 1 ? ? +48463 ATOM N N . LEU AK 17 27 ? 50.964 21.206 18.966 1.00 78.83 ? 28 LEU x N 1 ? ? +48464 ATOM C CA . LEU AK 17 27 ? 50.512 19.936 19.520 1.00 77.97 ? 28 LEU x CA 1 ? ? +48465 ATOM C CB . LEU AK 17 27 ? 49.895 19.068 18.419 1.00 76.95 ? 28 LEU x CB 1 ? ? +48466 ATOM C CG . LEU AK 17 27 ? 48.539 19.525 17.900 1.00 76.29 ? 28 LEU x CG 1 ? ? +48467 ATOM C CD1 . LEU AK 17 27 ? 47.943 18.510 16.963 1.00 75.23 ? 28 LEU x CD1 1 ? ? +48468 ATOM C CD2 . LEU AK 17 27 ? 47.574 19.792 19.033 1.00 76.38 ? 28 LEU x CD2 1 ? ? +48469 ATOM C C . LEU AK 17 27 ? 51.625 19.153 20.216 1.00 78.40 ? 28 LEU x C 1 ? ? +48470 ATOM O O . LEU AK 17 27 ? 51.411 18.618 21.305 1.00 78.54 ? 28 LEU x O 1 ? ? +48471 ATOM N N . ILE AK 17 28 ? 52.808 19.087 19.586 1.00 78.36 ? 29 ILE x N 1 ? ? +48472 ATOM C CA . ILE AK 17 28 ? 53.952 18.425 20.194 1.00 78.74 ? 29 ILE x CA 1 ? ? +48473 ATOM C CB . ILE AK 17 28 ? 55.197 18.324 19.255 1.00 78.80 ? 29 ILE x CB 1 ? ? +48474 ATOM C CG1 . ILE AK 17 28 ? 54.904 17.482 18.009 1.00 77.81 ? 29 ILE x CG1 1 ? ? +48475 ATOM C CG2 . ILE AK 17 28 ? 56.369 17.735 19.998 1.00 79.63 ? 29 ILE x CG2 1 ? ? +48476 ATOM C CD1 . ILE AK 17 28 ? 55.894 17.618 16.881 1.00 77.94 ? 29 ILE x CD1 1 ? ? +48477 ATOM C C . ILE AK 17 28 ? 54.295 19.132 21.500 1.00 79.54 ? 29 ILE x C 1 ? ? +48478 ATOM O O . ILE AK 17 28 ? 54.536 18.478 22.503 1.00 79.77 ? 29 ILE x O 1 ? ? +48479 ATOM N N . ALA AK 17 29 ? 54.295 20.468 21.478 1.00 80.08 ? 30 ALA x N 1 ? ? +48480 ATOM C CA . ALA AK 17 29 ? 54.647 21.254 22.649 1.00 81.28 ? 30 ALA x CA 1 ? ? +48481 ATOM C CB . ALA AK 17 29 ? 54.601 22.739 22.339 1.00 81.56 ? 30 ALA x CB 1 ? ? +48482 ATOM C C . ALA AK 17 29 ? 53.718 20.937 23.814 1.00 81.36 ? 30 ALA x C 1 ? ? +48483 ATOM O O . ALA AK 17 29 ? 54.188 20.649 24.909 1.00 82.07 ? 30 ALA x O 1 ? ? +48484 ATOM N N . ILE AK 17 30 ? 52.406 20.988 23.553 1.00 80.90 ? 31 ILE x N 1 ? ? +48485 ATOM C CA . ILE AK 17 30 ? 51.389 20.716 24.556 1.00 81.11 ? 31 ILE x CA 1 ? ? +48486 ATOM C CB . ILE AK 17 30 ? 49.968 20.967 23.975 1.00 80.15 ? 31 ILE x CB 1 ? ? +48487 ATOM C CG1 . ILE AK 17 30 ? 49.761 22.449 23.662 1.00 80.53 ? 31 ILE x CG1 1 ? ? +48488 ATOM C CG2 . ILE AK 17 30 ? 48.861 20.442 24.906 1.00 79.69 ? 31 ILE x CG2 1 ? ? +48489 ATOM C CD1 . ILE AK 17 30 ? 48.459 22.754 22.941 1.00 79.63 ? 31 ILE x CD1 1 ? ? +48490 ATOM C C . ILE AK 17 30 ? 51.491 19.295 25.103 1.00 81.50 ? 31 ILE x C 1 ? ? +48491 ATOM O O . ILE AK 17 30 ? 51.392 19.092 26.309 1.00 81.92 ? 31 ILE x O 1 ? ? +48492 ATOM N N . SER AK 17 31 ? 51.656 18.320 24.201 1.00 81.60 ? 32 SER x N 1 ? ? +48493 ATOM C CA . SER AK 17 31 ? 51.762 16.923 24.588 1.00 82.10 ? 32 SER x CA 1 ? ? +48494 ATOM C CB . SER AK 17 31 ? 51.860 16.040 23.347 1.00 81.66 ? 32 SER x CB 1 ? ? +48495 ATOM O OG . SER AK 17 31 ? 53.124 16.181 22.706 1.00 83.10 ? 32 SER x OG 1 ? ? +48496 ATOM C C . SER AK 17 31 ? 52.956 16.670 25.511 1.00 83.61 ? 32 SER x C 1 ? ? +48497 ATOM O O . SER AK 17 31 ? 52.906 15.797 26.368 1.00 83.70 ? 32 SER x O 1 ? ? +48498 ATOM N N . GLN AK 17 32 ? 54.033 17.437 25.324 1.00 85.06 ? 33 GLN x N 1 ? ? +48499 ATOM C CA . GLN AK 17 32 ? 55.215 17.331 26.164 1.00 87.15 ? 33 GLN x CA 1 ? ? +48500 ATOM C CB . GLN AK 17 32 ? 56.420 17.996 25.469 1.00 87.19 ? 33 GLN x CB 1 ? ? +48501 ATOM C CG . GLN AK 17 32 ? 56.908 17.261 24.203 1.00 86.15 ? 33 GLN x CG 1 ? ? +48502 ATOM C CD . GLN AK 17 32 ? 57.664 15.991 24.510 1.00 86.22 ? 33 GLN x CD 1 ? ? +48503 ATOM O OE1 . GLN AK 17 32 ? 58.348 15.886 25.541 1.00 87.88 ? 33 GLN x OE1 1 ? ? +48504 ATOM N NE2 . GLN AK 17 32 ? 57.552 14.998 23.646 1.00 85.05 ? 33 GLN x NE2 1 ? ? +48505 ATOM C C . GLN AK 17 32 ? 55.001 17.940 27.548 1.00 89.46 ? 33 GLN x C 1 ? ? +48506 ATOM O O . GLN AK 17 32 ? 55.477 17.399 28.539 1.00 90.30 ? 33 GLN x O 1 ? ? +48507 ATOM N N . ILE AK 17 33 ? 54.280 19.061 27.622 1.00 91.78 ? 34 ILE x N 1 ? ? +48508 ATOM C CA . ILE AK 17 33 ? 53.983 19.690 28.900 1.00 94.71 ? 34 ILE x CA 1 ? ? +48509 ATOM C CB . ILE AK 17 33 ? 53.379 21.099 28.693 1.00 95.26 ? 34 ILE x CB 1 ? ? +48510 ATOM C CG1 . ILE AK 17 33 ? 54.402 22.065 28.097 1.00 96.29 ? 34 ILE x CG1 1 ? ? +48511 ATOM C CG2 . ILE AK 17 33 ? 52.781 21.650 30.002 1.00 95.70 ? 34 ILE x CG2 1 ? ? +48512 ATOM C CD1 . ILE AK 17 33 ? 53.775 23.360 27.600 1.00 96.33 ? 34 ILE x CD1 1 ? ? +48513 ATOM C C . ILE AK 17 33 ? 53.028 18.839 29.732 1.00 96.53 ? 34 ILE x C 1 ? ? +48514 ATOM O O . ILE AK 17 33 ? 53.309 18.530 30.885 1.00 98.53 ? 34 ILE x O 1 ? ? +48515 ATOM N N . ASP AK 17 34 ? 51.896 18.486 29.118 1.00 97.39 ? 35 ASP x N 1 ? ? +48516 ATOM C CA . ASP AK 17 34 ? 50.768 17.862 29.785 1.00 99.69 ? 35 ASP x CA 1 ? ? +48517 ATOM C CB . ASP AK 17 34 ? 49.499 18.472 29.156 1.00 99.13 ? 35 ASP x CB 1 ? ? +48518 ATOM C CG . ASP AK 17 34 ? 48.186 18.049 29.738 1.00 98.15 ? 35 ASP x CG 1 ? ? +48519 ATOM O OD1 . ASP AK 17 34 ? 48.193 17.457 30.837 1.00 98.83 ? 35 ASP x OD1 1 ? ? +48520 ATOM O OD2 . ASP AK 17 34 ? 47.153 18.297 29.088 1.00 97.70 ? 35 ASP x OD2 1 ? ? +48521 ATOM C C . ASP AK 17 34 ? 50.779 16.342 29.612 1.00 101.72 ? 35 ASP x C 1 ? ? +48522 ATOM O O . ASP AK 17 34 ? 49.866 15.777 29.005 1.00 98.45 ? 35 ASP x O 1 ? ? +48523 ATOM N N . LYS AK 17 35 ? 51.825 15.692 30.141 1.00 105.95 ? 36 LYS x N 1 ? ? +48524 ATOM C CA . LYS AK 17 35 ? 52.031 14.268 29.929 1.00 109.57 ? 36 LYS x CA 1 ? ? +48525 ATOM C CB . LYS AK 17 35 ? 53.449 13.850 30.313 1.00 108.76 ? 36 LYS x CB 1 ? ? +48526 ATOM C CG . LYS AK 17 35 ? 54.511 14.447 29.435 1.00 108.21 ? 36 LYS x CG 1 ? ? +48527 ATOM C CD . LYS AK 17 35 ? 55.713 13.526 29.250 1.00 108.44 ? 36 LYS x CD 1 ? ? +48528 ATOM C CE . LYS AK 17 35 ? 56.993 14.302 28.992 1.00 109.43 ? 36 LYS x CE 1 ? ? +48529 ATOM N NZ . LYS AK 17 35 ? 58.179 13.419 28.928 1.00 109.02 ? 36 LYS x NZ 1 ? ? +48530 ATOM C C . LYS AK 17 35 ? 51.038 13.404 30.702 1.00 115.93 ? 36 LYS x C 1 ? ? +48531 ATOM O O . LYS AK 17 35 ? 50.462 13.849 31.693 1.00 120.65 ? 36 LYS x O 1 ? ? +48532 ATOM N N . VAL AK 17 36 ? 50.852 12.163 30.231 1.00 119.36 ? 37 VAL x N 1 ? ? +48533 ATOM C CA . VAL AK 17 36 ? 50.022 11.192 30.927 1.00 121.62 ? 37 VAL x CA 1 ? ? +48534 ATOM C CB . VAL AK 17 36 ? 49.337 10.209 29.953 1.00 121.18 ? 37 VAL x CB 1 ? ? +48535 ATOM C CG1 . VAL AK 17 36 ? 48.352 9.309 30.686 1.00 121.82 ? 37 VAL x CG1 1 ? ? +48536 ATOM C CG2 . VAL AK 17 36 ? 48.634 10.947 28.818 1.00 118.92 ? 37 VAL x CG2 1 ? ? +48537 ATOM C C . VAL AK 17 36 ? 50.891 10.461 31.947 1.00 125.39 ? 37 VAL x C 1 ? ? +48538 ATOM O O . VAL AK 17 36 ? 52.061 10.189 31.681 1.00 128.36 ? 37 VAL x O 1 ? ? +48539 ATOM N N . GLN AK 17 37 ? 50.318 10.189 33.128 1.00 126.60 ? 38 GLN x N 1 ? ? +48540 ATOM C CA . GLN AK 17 37 ? 51.036 9.536 34.213 1.00 128.88 ? 38 GLN x CA 1 ? ? +48541 ATOM C CB . GLN AK 17 37 ? 50.779 10.221 35.590 1.00 129.49 ? 38 GLN x CB 1 ? ? +48542 ATOM C CG . GLN AK 17 37 ? 50.708 11.774 35.581 1.00 129.46 ? 38 GLN x CG 1 ? ? +48543 ATOM C CD . GLN AK 17 37 ? 52.054 12.469 35.502 1.00 130.63 ? 38 GLN x CD 1 ? ? +48544 ATOM O OE1 . GLN AK 17 37 ? 52.819 12.527 36.476 1.00 130.57 ? 38 GLN x OE1 1 ? ? +48545 ATOM N NE2 . GLN AK 17 37 ? 52.364 13.071 34.361 1.00 130.72 ? 38 GLN x NE2 1 ? ? +48546 ATOM C C . GLN AK 17 37 ? 50.562 8.083 34.226 1.00 127.57 ? 38 GLN x C 1 ? ? +48547 ATOM O O . GLN AK 17 37 ? 49.398 7.814 33.930 1.00 126.44 ? 38 GLN x O 1 ? ? +48548 ATOM N N . ARG AK 17 38 ? 51.471 7.147 34.543 1.00 126.74 ? 39 ARG x N 1 ? ? +48549 ATOM C CA . ARG AK 17 38 ? 51.146 5.729 34.630 1.00 123.87 ? 39 ARG x CA 1 ? ? +48550 ATOM C CB . ARG AK 17 38 ? 51.634 4.957 33.388 1.00 119.41 ? 39 ARG x CB 1 ? ? +48551 ATOM C CG . ARG AK 17 38 ? 50.950 5.311 32.073 1.00 115.40 ? 39 ARG x CG 1 ? ? +48552 ATOM C CD . ARG AK 17 38 ? 51.477 4.460 30.937 1.00 112.24 ? 39 ARG x CD 1 ? ? +48553 ATOM N NE . ARG AK 17 38 ? 50.762 4.720 29.692 1.00 109.45 ? 39 ARG x NE 1 ? ? +48554 ATOM C CZ . ARG AK 17 38 ? 51.117 5.624 28.789 1.00 107.29 ? 39 ARG x CZ 1 ? ? +48555 ATOM N NH1 . ARG AK 17 38 ? 52.099 6.481 29.012 1.00 109.41 ? 39 ARG x NH1 1 ? ? +48556 ATOM N NH2 . ARG AK 17 38 ? 50.456 5.685 27.638 1.00 105.16 ? 39 ARG x NH2 1 ? ? +48557 ATOM C C . ARG AK 17 38 ? 51.784 5.097 35.883 1.00 128.70 ? 39 ARG x C 1 ? ? +48558 ATOM O O . ARG AK 17 38 ? 51.695 3.883 36.072 1.00 129.56 ? 39 ARG x O 1 ? ? +48559 ATOM O OXT . ARG AK 17 38 ? 52.390 5.798 36.698 1.00 130.43 ? 39 ARG x OXT 1 ? ? +48560 ATOM N N . VAL AL 18 1 ? 5.049 53.869 19.621 1.00 100.67 ? 18 VAL y N 1 ? ? +48561 ATOM C CA . VAL AL 18 1 ? 5.944 52.760 19.240 1.00 100.40 ? 18 VAL y CA 1 ? ? +48562 ATOM C CB . VAL AL 18 1 ? 6.702 52.957 17.889 1.00 98.91 ? 18 VAL y CB 1 ? ? +48563 ATOM C CG1 . VAL AL 18 1 ? 6.358 51.826 16.910 1.00 97.39 ? 18 VAL y CG1 1 ? ? +48564 ATOM C CG2 . VAL AL 18 1 ? 6.476 54.347 17.266 1.00 99.02 ? 18 VAL y CG2 1 ? ? +48565 ATOM C C . VAL AL 18 1 ? 6.929 52.438 20.365 1.00 102.02 ? 18 VAL y C 1 ? ? +48566 ATOM O O . VAL AL 18 1 ? 7.164 51.269 20.652 1.00 102.30 ? 18 VAL y O 1 ? ? +48567 ATOM N N . ILE AL 18 2 ? 7.519 53.473 20.978 1.00 102.95 ? 19 ILE y N 1 ? ? +48568 ATOM C CA . ILE AL 18 2 ? 8.178 53.323 22.269 1.00 103.22 ? 19 ILE y CA 1 ? ? +48569 ATOM C CB . ILE AL 18 2 ? 8.973 54.607 22.659 1.00 103.55 ? 19 ILE y CB 1 ? ? +48570 ATOM C CG1 . ILE AL 18 2 ? 10.379 54.540 22.001 1.00 103.38 ? 19 ILE y CG1 1 ? ? +48571 ATOM C CG2 . ILE AL 18 2 ? 9.064 54.823 24.202 1.00 103.83 ? 19 ILE y CG2 1 ? ? +48572 ATOM C CD1 . ILE AL 18 2 ? 11.260 55.764 22.180 1.00 104.20 ? 19 ILE y CD1 1 ? ? +48573 ATOM C C . ILE AL 18 2 ? 7.156 52.911 23.328 1.00 104.27 ? 19 ILE y C 1 ? ? +48574 ATOM O O . ILE AL 18 2 ? 7.484 52.131 24.223 1.00 104.48 ? 19 ILE y O 1 ? ? +48575 ATOM N N . ALA AL 18 3 ? 5.929 53.441 23.209 1.00 104.43 ? 20 ALA y N 1 ? ? +48576 ATOM C CA . ALA AL 18 3 ? 4.838 53.086 24.102 1.00 103.82 ? 20 ALA y CA 1 ? ? +48577 ATOM C CB . ALA AL 18 3 ? 3.574 53.855 23.741 1.00 103.86 ? 20 ALA y CB 1 ? ? +48578 ATOM C C . ALA AL 18 3 ? 4.577 51.583 24.058 1.00 103.05 ? 20 ALA y C 1 ? ? +48579 ATOM O O . ALA AL 18 3 ? 4.542 50.935 25.100 1.00 103.68 ? 20 ALA y O 1 ? ? +48580 ATOM N N . GLN AL 18 4 ? 4.430 51.036 22.843 1.00 102.27 ? 21 GLN y N 1 ? ? +48581 ATOM C CA . GLN AL 18 4 ? 4.153 49.618 22.653 1.00 101.75 ? 21 GLN y CA 1 ? ? +48582 ATOM C CB . GLN AL 18 4 ? 4.032 49.289 21.144 1.00 100.36 ? 21 GLN y CB 1 ? ? +48583 ATOM C CG . GLN AL 18 4 ? 2.814 49.928 20.479 1.00 100.38 ? 21 GLN y CG 1 ? ? +48584 ATOM C CD . GLN AL 18 4 ? 2.809 49.821 18.974 1.00 99.38 ? 21 GLN y CD 1 ? ? +48585 ATOM O OE1 . GLN AL 18 4 ? 3.848 49.745 18.305 1.00 99.30 ? 21 GLN y OE1 1 ? ? +48586 ATOM N NE2 . GLN AL 18 4 ? 1.621 49.864 18.410 1.00 98.77 ? 21 GLN y NE2 1 ? ? +48587 ATOM C C . GLN AL 18 4 ? 5.216 48.727 23.297 1.00 101.72 ? 21 GLN y C 1 ? ? +48588 ATOM O O . GLN AL 18 4 ? 4.881 47.753 23.969 1.00 102.00 ? 21 GLN y O 1 ? ? +48589 ATOM N N . LEU AL 18 5 ? 6.495 49.070 23.084 1.00 101.08 ? 22 LEU y N 1 ? ? +48590 ATOM C CA . LEU AL 18 5 ? 7.613 48.302 23.616 1.00 100.23 ? 22 LEU y CA 1 ? ? +48591 ATOM C CB . LEU AL 18 5 ? 8.937 48.662 22.908 1.00 99.92 ? 22 LEU y CB 1 ? ? +48592 ATOM C CG . LEU AL 18 5 ? 9.061 48.208 21.427 1.00 98.68 ? 22 LEU y CG 1 ? ? +48593 ATOM C CD1 . LEU AL 18 5 ? 10.519 48.116 20.989 1.00 97.52 ? 22 LEU y CD1 1 ? ? +48594 ATOM C CD2 . LEU AL 18 5 ? 8.334 46.867 21.161 1.00 97.33 ? 22 LEU y CD2 1 ? ? +48595 ATOM C C . LEU AL 18 5 ? 7.778 48.467 25.126 1.00 100.22 ? 22 LEU y C 1 ? ? +48596 ATOM O O . LEU AL 18 5 ? 8.278 47.562 25.791 1.00 102.01 ? 22 LEU y O 1 ? ? +48597 ATOM N N . THR AL 18 6 ? 7.362 49.619 25.665 1.00 98.66 ? 23 THR y N 1 ? ? +48598 ATOM C CA . THR AL 18 6 ? 7.296 49.806 27.106 1.00 98.14 ? 23 THR y CA 1 ? ? +48599 ATOM C CB . THR AL 18 6 ? 7.090 51.274 27.470 1.00 98.18 ? 23 THR y CB 1 ? ? +48600 ATOM O OG1 . THR AL 18 6 ? 8.049 52.073 26.777 1.00 97.43 ? 23 THR y OG1 1 ? ? +48601 ATOM C CG2 . THR AL 18 6 ? 7.220 51.513 28.977 1.00 99.11 ? 23 THR y CG2 1 ? ? +48602 ATOM C C . THR AL 18 6 ? 6.194 48.940 27.718 1.00 98.95 ? 23 THR y C 1 ? ? +48603 ATOM O O . THR AL 18 6 ? 6.419 48.291 28.733 1.00 100.71 ? 23 THR y O 1 ? ? +48604 ATOM N N . MET AL 18 7 ? 5.007 48.941 27.097 1.00 98.45 ? 24 MET y N 1 ? ? +48605 ATOM C CA . MET AL 18 7 ? 3.863 48.178 27.574 1.00 98.03 ? 24 MET y CA 1 ? ? +48606 ATOM C CB . MET AL 18 7 ? 2.627 48.412 26.668 1.00 99.18 ? 24 MET y CB 1 ? ? +48607 ATOM C CG . MET AL 18 7 ? 2.093 49.836 26.699 1.00 100.47 ? 24 MET y CG 1 ? ? +48608 ATOM S SD . MET AL 18 7 ? 1.419 50.307 28.296 1.00 103.91 ? 24 MET y SD 1 ? ? +48609 ATOM C CE . MET AL 18 7 ? 2.963 50.657 29.311 1.00 104.74 ? 24 MET y CE 1 ? ? +48610 ATOM C C . MET AL 18 7 ? 4.173 46.684 27.628 1.00 96.45 ? 24 MET y C 1 ? ? +48611 ATOM O O . MET AL 18 7 ? 3.942 46.044 28.649 1.00 97.12 ? 24 MET y O 1 ? ? +48612 ATOM N N . ILE AL 18 8 ? 4.694 46.139 26.524 1.00 94.70 ? 25 ILE y N 1 ? ? +48613 ATOM C CA . ILE AL 18 8 ? 5.004 44.720 26.441 1.00 93.79 ? 25 ILE y CA 1 ? ? +48614 ATOM C CB . ILE AL 18 8 ? 5.367 44.279 24.975 1.00 93.62 ? 25 ILE y CB 1 ? ? +48615 ATOM C CG1 . ILE AL 18 8 ? 5.492 42.737 24.833 1.00 93.62 ? 25 ILE y CG1 1 ? ? +48616 ATOM C CG2 . ILE AL 18 8 ? 6.627 44.939 24.456 1.00 93.12 ? 25 ILE y CG2 1 ? ? +48617 ATOM C CD1 . ILE AL 18 8 ? 4.189 41.903 25.170 1.00 93.76 ? 25 ILE y CD1 1 ? ? +48618 ATOM C C . ILE AL 18 8 ? 6.094 44.336 27.444 1.00 93.30 ? 25 ILE y C 1 ? ? +48619 ATOM O O . ILE AL 18 8 ? 6.056 43.241 28.000 1.00 92.42 ? 25 ILE y O 1 ? ? +48620 ATOM N N . ALA AL 18 9 ? 7.054 45.241 27.677 1.00 93.40 ? 26 ALA y N 1 ? ? +48621 ATOM C CA . ALA AL 18 9 ? 8.098 45.014 28.664 1.00 93.61 ? 26 ALA y CA 1 ? ? +48622 ATOM C CB . ALA AL 18 9 ? 9.153 46.113 28.589 1.00 94.23 ? 26 ALA y CB 1 ? ? +48623 ATOM C C . ALA AL 18 9 ? 7.516 44.923 30.075 1.00 94.00 ? 26 ALA y C 1 ? ? +48624 ATOM O O . ALA AL 18 9 ? 7.884 44.028 30.829 1.00 92.01 ? 26 ALA y O 1 ? ? +48625 ATOM N N . MET AL 18 10 ? 6.598 45.840 30.416 1.00 95.93 ? 27 MET y N 1 ? ? +48626 ATOM C CA . MET AL 18 10 ? 5.961 45.868 31.726 1.00 97.99 ? 27 MET y CA 1 ? ? +48627 ATOM C CB . MET AL 18 10 ? 5.095 47.142 31.917 1.00 100.72 ? 27 MET y CB 1 ? ? +48628 ATOM C CG . MET AL 18 10 ? 5.878 48.449 31.958 1.00 103.99 ? 27 MET y CG 1 ? ? +48629 ATOM S SD . MET AL 18 10 ? 7.126 48.601 33.274 1.00 108.50 ? 27 MET y SD 1 ? ? +48630 ATOM C CE . MET AL 18 10 ? 7.962 50.139 32.739 1.00 109.24 ? 27 MET y CE 1 ? ? +48631 ATOM C C . MET AL 18 10 ? 5.069 44.645 31.927 1.00 97.05 ? 27 MET y C 1 ? ? +48632 ATOM O O . MET AL 18 10 ? 5.107 44.019 32.986 1.00 99.18 ? 27 MET y O 1 ? ? +48633 ATOM N N . ILE AL 18 11 ? 4.263 44.321 30.903 1.00 94.36 ? 28 ILE y N 1 ? ? +48634 ATOM C CA . ILE AL 18 11 ? 3.412 43.142 30.925 1.00 92.15 ? 28 ILE y CA 1 ? ? +48635 ATOM C CB . ILE AL 18 11 ? 2.413 43.165 29.739 1.00 91.22 ? 28 ILE y CB 1 ? ? +48636 ATOM C CG1 . ILE AL 18 11 ? 1.472 44.377 29.830 1.00 92.85 ? 28 ILE y CG1 1 ? ? +48637 ATOM C CG2 . ILE AL 18 11 ? 1.609 41.870 29.665 1.00 90.13 ? 28 ILE y CG2 1 ? ? +48638 ATOM C CD1 . ILE AL 18 11 ? 0.667 44.637 28.561 1.00 92.91 ? 28 ILE y CD1 1 ? ? +48639 ATOM C C . ILE AL 18 11 ? 4.268 41.876 30.927 1.00 90.59 ? 28 ILE y C 1 ? ? +48640 ATOM O O . ILE AL 18 11 ? 3.974 40.923 31.645 1.00 90.72 ? 28 ILE y O 1 ? ? +48641 ATOM N N . GLY AL 18 12 ? 5.335 41.881 30.120 1.00 89.23 ? 29 GLY y N 1 ? ? +48642 ATOM C CA . GLY AL 18 12 ? 6.219 40.736 29.986 1.00 87.79 ? 29 GLY y CA 1 ? ? +48643 ATOM C C . GLY AL 18 12 ? 6.974 40.365 31.260 1.00 87.88 ? 29 GLY y C 1 ? ? +48644 ATOM O O . GLY AL 18 12 ? 7.311 39.201 31.464 1.00 87.59 ? 29 GLY y O 1 ? ? +48645 ATOM N N . ILE AL 18 13 ? 7.243 41.364 32.108 1.00 88.33 ? 30 ILE y N 1 ? ? +48646 ATOM C CA . ILE AL 18 13 ? 8.027 41.152 33.316 1.00 88.25 ? 30 ILE y CA 1 ? ? +48647 ATOM C CB . ILE AL 18 13 ? 8.867 42.425 33.628 1.00 89.17 ? 30 ILE y CB 1 ? ? +48648 ATOM C CG1 . ILE AL 18 13 ? 10.235 42.060 34.257 1.00 89.08 ? 30 ILE y CG1 1 ? ? +48649 ATOM C CG2 . ILE AL 18 13 ? 8.059 43.473 34.444 1.00 90.02 ? 30 ILE y CG2 1 ? ? +48650 ATOM C CD1 . ILE AL 18 13 ? 10.219 41.554 35.665 1.00 89.80 ? 30 ILE y CD1 1 ? ? +48651 ATOM C C . ILE AL 18 13 ? 7.137 40.726 34.481 1.00 87.46 ? 30 ILE y C 1 ? ? +48652 ATOM O O . ILE AL 18 13 ? 7.600 40.052 35.396 1.00 87.58 ? 30 ILE y O 1 ? ? +48653 ATOM N N . ALA AL 18 14 ? 5.855 41.109 34.434 1.00 86.91 ? 31 ALA y N 1 ? ? +48654 ATOM C CA . ALA AL 18 14 ? 4.912 40.797 35.499 1.00 86.72 ? 31 ALA y CA 1 ? ? +48655 ATOM C CB . ALA AL 18 14 ? 3.506 41.224 35.099 1.00 86.28 ? 31 ALA y CB 1 ? ? +48656 ATOM C C . ALA AL 18 14 ? 4.911 39.319 35.885 1.00 85.98 ? 31 ALA y C 1 ? ? +48657 ATOM O O . ALA AL 18 14 ? 4.881 38.990 37.070 1.00 86.37 ? 31 ALA y O 1 ? ? +48658 ATOM N N . GLY AL 18 15 ? 4.948 38.439 34.876 1.00 84.70 ? 32 GLY y N 1 ? ? +48659 ATOM C CA . GLY AL 18 15 ? 4.937 37.001 35.092 1.00 83.91 ? 32 GLY y CA 1 ? ? +48660 ATOM C C . GLY AL 18 15 ? 6.121 36.509 35.919 1.00 84.29 ? 32 GLY y C 1 ? ? +48661 ATOM O O . GLY AL 18 15 ? 5.922 35.992 37.016 1.00 84.63 ? 32 GLY y O 1 ? ? +48662 ATOM N N . PRO AL 18 16 ? 7.376 36.642 35.418 1.00 84.49 ? 33 PRO y N 1 ? ? +48663 ATOM C CA . PRO AL 18 16 ? 8.566 36.262 36.182 1.00 85.33 ? 33 PRO y CA 1 ? ? +48664 ATOM C CB . PRO AL 18 16 ? 9.716 36.684 35.263 1.00 84.84 ? 33 PRO y CB 1 ? ? +48665 ATOM C CG . PRO AL 18 16 ? 9.134 36.686 33.897 1.00 83.85 ? 33 PRO y CG 1 ? ? +48666 ATOM C CD . PRO AL 18 16 ? 7.715 37.123 34.070 1.00 83.98 ? 33 PRO y CD 1 ? ? +48667 ATOM C C . PRO AL 18 16 ? 8.677 36.933 37.548 1.00 87.41 ? 33 PRO y C 1 ? ? +48668 ATOM O O . PRO AL 18 16 ? 9.163 36.322 38.498 1.00 88.09 ? 33 PRO y O 1 ? ? +48669 ATOM N N . MET AL 18 17 ? 8.218 38.189 37.630 1.00 88.90 ? 34 MET y N 1 ? ? +48670 ATOM C CA . MET AL 18 17 ? 8.236 38.955 38.866 1.00 90.78 ? 34 MET y CA 1 ? ? +48671 ATOM C CB . MET AL 18 17 ? 7.665 40.365 38.616 1.00 93.92 ? 34 MET y CB 1 ? ? +48672 ATOM C CG . MET AL 18 17 ? 7.790 41.329 39.778 1.00 97.80 ? 34 MET y CG 1 ? ? +48673 ATOM S SD . MET AL 18 17 ? 9.241 42.397 39.621 1.00 104.05 ? 34 MET y SD 1 ? ? +48674 ATOM C CE . MET AL 18 17 ? 8.437 43.934 39.021 1.00 103.26 ? 34 MET y CE 1 ? ? +48675 ATOM C C . MET AL 18 17 ? 7.428 38.239 39.946 1.00 89.66 ? 34 MET y C 1 ? ? +48676 ATOM O O . MET AL 18 17 ? 7.843 38.198 41.102 1.00 90.32 ? 34 MET y O 1 ? ? +48677 ATOM N N . ILE AL 18 18 ? 6.275 37.678 39.558 1.00 88.15 ? 35 ILE y N 1 ? ? +48678 ATOM C CA . ILE AL 18 18 ? 5.432 36.947 40.490 1.00 87.40 ? 35 ILE y CA 1 ? ? +48679 ATOM C CB . ILE AL 18 18 ? 4.071 36.528 39.868 1.00 86.50 ? 35 ILE y CB 1 ? ? +48680 ATOM C CG1 . ILE AL 18 18 ? 3.258 37.750 39.430 1.00 86.50 ? 35 ILE y CG1 1 ? ? +48681 ATOM C CG2 . ILE AL 18 18 ? 3.255 35.660 40.843 1.00 86.61 ? 35 ILE y CG2 1 ? ? +48682 ATOM C CD1 . ILE AL 18 18 ? 2.084 37.420 38.559 1.00 86.19 ? 35 ILE y CD1 1 ? ? +48683 ATOM C C . ILE AL 18 18 ? 6.212 35.745 41.012 1.00 86.57 ? 35 ILE y C 1 ? ? +48684 ATOM O O . ILE AL 18 18 ? 6.292 35.542 42.219 1.00 87.53 ? 35 ILE y O 1 ? ? +48685 ATOM N N . ILE AL 18 19 ? 6.804 34.968 40.099 1.00 85.00 ? 36 ILE y N 1 ? ? +48686 ATOM C CA . ILE AL 18 19 ? 7.551 33.783 40.486 1.00 84.72 ? 36 ILE y CA 1 ? ? +48687 ATOM C CB . ILE AL 18 19 ? 8.020 32.983 39.247 1.00 83.43 ? 36 ILE y CB 1 ? ? +48688 ATOM C CG1 . ILE AL 18 19 ? 6.821 32.518 38.391 1.00 82.45 ? 36 ILE y CG1 1 ? ? +48689 ATOM C CG2 . ILE AL 18 19 ? 8.912 31.800 39.645 1.00 83.44 ? 36 ILE y CG2 1 ? ? +48690 ATOM C CD1 . ILE AL 18 19 ? 5.690 31.871 39.180 1.00 82.64 ? 36 ILE y CD1 1 ? ? +48691 ATOM C C . ILE AL 18 19 ? 8.720 34.156 41.394 1.00 85.67 ? 36 ILE y C 1 ? ? +48692 ATOM O O . ILE AL 18 19 ? 8.988 33.454 42.364 1.00 86.18 ? 36 ILE y O 1 ? ? +48693 ATOM N N . PHE AL 18 20 ? 9.391 35.269 41.071 1.00 86.05 ? 37 PHE y N 1 ? ? +48694 ATOM C CA . PHE AL 18 20 ? 10.543 35.743 41.823 1.00 86.68 ? 37 PHE y CA 1 ? ? +48695 ATOM C CB . PHE AL 18 20 ? 11.206 36.910 41.072 1.00 87.16 ? 37 PHE y CB 1 ? ? +48696 ATOM C CG . PHE AL 18 20 ? 12.427 37.493 41.734 1.00 88.12 ? 37 PHE y CG 1 ? ? +48697 ATOM C CD1 . PHE AL 18 20 ? 13.623 36.796 41.754 1.00 88.30 ? 37 PHE y CD1 1 ? ? +48698 ATOM C CD2 . PHE AL 18 20 ? 12.377 38.740 42.342 1.00 88.93 ? 37 PHE y CD2 1 ? ? +48699 ATOM C CE1 . PHE AL 18 20 ? 14.756 37.344 42.356 1.00 89.34 ? 37 PHE y CE1 1 ? ? +48700 ATOM C CE2 . PHE AL 18 20 ? 13.507 39.288 42.941 1.00 89.77 ? 37 PHE y CE2 1 ? ? +48701 ATOM C CZ . PHE AL 18 20 ? 14.685 38.581 42.962 1.00 89.93 ? 37 PHE y CZ 1 ? ? +48702 ATOM C C . PHE AL 18 20 ? 10.165 36.169 43.240 1.00 87.09 ? 37 PHE y C 1 ? ? +48703 ATOM O O . PHE AL 18 20 ? 10.864 35.827 44.194 1.00 87.69 ? 37 PHE y O 1 ? ? +48704 ATOM N N . LEU AL 18 21 ? 9.055 36.911 43.362 1.00 86.91 ? 38 LEU y N 1 ? ? +48705 ATOM C CA . LEU AL 18 21 ? 8.557 37.346 44.658 1.00 87.44 ? 38 LEU y CA 1 ? ? +48706 ATOM C CB . LEU AL 18 21 ? 7.305 38.239 44.516 1.00 87.36 ? 38 LEU y CB 1 ? ? +48707 ATOM C CG . LEU AL 18 21 ? 7.520 39.670 43.978 1.00 87.57 ? 38 LEU y CG 1 ? ? +48708 ATOM C CD1 . LEU AL 18 21 ? 6.261 40.499 44.111 1.00 87.90 ? 38 LEU y CD1 1 ? ? +48709 ATOM C CD2 . LEU AL 18 21 ? 8.667 40.369 44.670 1.00 88.13 ? 38 LEU y CD2 1 ? ? +48710 ATOM C C . LEU AL 18 21 ? 8.230 36.153 45.553 1.00 87.37 ? 38 LEU y C 1 ? ? +48711 ATOM O O . LEU AL 18 21 ? 8.518 36.175 46.748 1.00 88.40 ? 38 LEU y O 1 ? ? +48712 ATOM N N . LEU AL 18 22 ? 7.630 35.114 44.967 1.00 86.46 ? 39 LEU y N 1 ? ? +48713 ATOM C CA . LEU AL 18 22 ? 7.268 33.926 45.722 1.00 86.35 ? 39 LEU y CA 1 ? ? +48714 ATOM C CB . LEU AL 18 22 ? 6.255 33.060 44.944 1.00 85.47 ? 39 LEU y CB 1 ? ? +48715 ATOM C CG . LEU AL 18 22 ? 4.797 33.549 45.007 1.00 85.49 ? 39 LEU y CG 1 ? ? +48716 ATOM C CD1 . LEU AL 18 22 ? 3.953 32.840 44.003 1.00 84.71 ? 39 LEU y CD1 1 ? ? +48717 ATOM C CD2 . LEU AL 18 22 ? 4.196 33.366 46.381 1.00 86.40 ? 39 LEU y CD2 1 ? ? +48718 ATOM C C . LEU AL 18 22 ? 8.497 33.100 46.085 1.00 86.37 ? 39 LEU y C 1 ? ? +48719 ATOM O O . LEU AL 18 22 ? 8.537 32.505 47.159 1.00 86.70 ? 39 LEU y O 1 ? ? +48720 ATOM N N . ALA AL 18 23 ? 9.489 33.063 45.188 1.00 86.35 ? 40 ALA y N 1 ? ? +48721 ATOM C CA . ALA AL 18 23 ? 10.736 32.356 45.442 1.00 86.69 ? 40 ALA y CA 1 ? ? +48722 ATOM C CB . ALA AL 18 23 ? 11.613 32.361 44.205 1.00 85.81 ? 40 ALA y CB 1 ? ? +48723 ATOM C C . ALA AL 18 23 ? 11.497 32.961 46.620 1.00 88.37 ? 40 ALA y C 1 ? ? +48724 ATOM O O . ALA AL 18 23 ? 11.971 32.227 47.489 1.00 88.64 ? 40 ALA y O 1 ? ? +48725 ATOM N N . VAL AL 18 24 ? 11.583 34.298 46.649 1.00 89.63 ? 41 VAL y N 1 ? ? +48726 ATOM C CA . VAL AL 18 24 ? 12.280 35.004 47.711 1.00 91.53 ? 41 VAL y CA 1 ? ? +48727 ATOM C CB . VAL AL 18 24 ? 12.423 36.514 47.406 1.00 92.39 ? 41 VAL y CB 1 ? ? +48728 ATOM C CG1 . VAL AL 18 24 ? 13.148 37.218 48.549 1.00 93.72 ? 41 VAL y CG1 1 ? ? +48729 ATOM C CG2 . VAL AL 18 24 ? 13.132 36.763 46.085 1.00 91.78 ? 41 VAL y CG2 1 ? ? +48730 ATOM C C . VAL AL 18 24 ? 11.604 34.821 49.069 1.00 92.82 ? 41 VAL y C 1 ? ? +48731 ATOM O O . VAL AL 18 24 ? 12.278 34.518 50.055 1.00 93.48 ? 41 VAL y O 1 ? ? +48732 ATOM N N . ARG AL 18 25 ? 10.275 35.012 49.129 1.00 93.43 ? 42 ARG y N 1 ? ? +48733 ATOM C CA . ARG AL 18 25 ? 9.568 34.859 50.394 1.00 94.67 ? 42 ARG y CA 1 ? ? +48734 ATOM C CB . ARG AL 18 25 ? 8.442 35.902 50.542 1.00 95.74 ? 42 ARG y CB 1 ? ? +48735 ATOM C CG . ARG AL 18 25 ? 7.249 35.733 49.638 1.00 96.05 ? 42 ARG y CG 1 ? ? +48736 ATOM C CD . ARG AL 18 25 ? 6.436 37.035 49.533 1.00 97.46 ? 42 ARG y CD 1 ? ? +48737 ATOM N NE . ARG AL 18 25 ? 5.906 37.481 50.820 1.00 98.89 ? 42 ARG y NE 1 ? ? +48738 ATOM C CZ . ARG AL 18 25 ? 5.446 38.704 51.066 1.00 99.56 ? 42 ARG y CZ 1 ? ? +48739 ATOM N NH1 . ARG AL 18 25 ? 5.297 39.595 50.098 1.00 98.90 ? 42 ARG y NH1 1 ? ? +48740 ATOM N NH2 . ARG AL 18 25 ? 5.140 39.045 52.317 1.00 100.72 ? 42 ARG y NH2 1 ? ? +48741 ATOM C C . ARG AL 18 25 ? 9.060 33.433 50.602 1.00 94.61 ? 42 ARG y C 1 ? ? +48742 ATOM O O . ARG AL 18 25 ? 8.104 33.226 51.345 1.00 94.96 ? 42 ARG y O 1 ? ? +48743 ATOM N N . ARG AL 18 26 ? 9.732 32.462 49.966 1.00 94.97 ? 43 ARG y N 1 ? ? +48744 ATOM C CA . ARG AL 18 26 ? 9.459 31.040 50.135 1.00 95.14 ? 43 ARG y CA 1 ? ? +48745 ATOM C CB . ARG AL 18 26 ? 10.157 30.520 51.393 1.00 97.06 ? 43 ARG y CB 1 ? ? +48746 ATOM C CG . ARG AL 18 26 ? 11.650 30.479 51.218 1.00 98.65 ? 43 ARG y CG 1 ? ? +48747 ATOM C CD . ARG AL 18 26 ? 12.354 29.841 52.384 1.00 101.11 ? 43 ARG y CD 1 ? ? +48748 ATOM N NE . ARG AL 18 26 ? 13.798 29.862 52.173 1.00 102.89 ? 43 ARG y NE 1 ? ? +48749 ATOM C CZ . ARG AL 18 26 ? 14.638 30.727 52.735 1.00 104.48 ? 43 ARG y CZ 1 ? ? +48750 ATOM N NH1 . ARG AL 18 26 ? 14.204 31.772 53.421 1.00 105.44 ? 43 ARG y NH1 1 ? ? +48751 ATOM N NH2 . ARG AL 18 26 ? 15.948 30.548 52.587 1.00 104.94 ? 43 ARG y NH2 1 ? ? +48752 ATOM C C . ARG AL 18 26 ? 7.970 30.714 50.185 1.00 94.39 ? 43 ARG y C 1 ? ? +48753 ATOM O O . ARG AL 18 26 ? 7.483 30.144 51.160 1.00 94.71 ? 43 ARG y O 1 ? ? +48754 ATOM N N . GLY AL 18 27 ? 7.271 31.076 49.104 1.00 93.35 ? 44 GLY y N 1 ? ? +48755 ATOM C CA . GLY AL 18 27 ? 5.839 30.860 48.995 1.00 92.82 ? 44 GLY y CA 1 ? ? +48756 ATOM C C . GLY AL 18 27 ? 5.505 29.454 48.510 1.00 91.69 ? 44 GLY y C 1 ? ? +48757 ATOM O O . GLY AL 18 27 ? 6.389 28.612 48.363 1.00 90.93 ? 44 GLY y O 1 ? ? +48758 ATOM N N . ASN AL 18 28 ? 4.219 29.229 48.236 1.00 91.66 ? 45 ASN y N 1 ? ? +48759 ATOM C CA . ASN AL 18 28 ? 3.722 27.903 47.915 1.00 91.14 ? 45 ASN y CA 1 ? ? +48760 ATOM C CB . ASN AL 18 28 ? 2.321 27.740 48.498 1.00 92.70 ? 45 ASN y CB 1 ? ? +48761 ATOM C CG . ASN AL 18 28 ? 2.028 26.308 48.802 1.00 94.32 ? 45 ASN y CG 1 ? ? +48762 ATOM O OD1 . ASN AL 18 28 ? 1.579 25.554 47.953 1.00 95.36 ? 45 ASN y OD1 1 ? ? +48763 ATOM N ND2 . ASN AL 18 28 ? 2.301 25.895 50.027 1.00 96.10 ? 45 ASN y ND2 1 ? ? +48764 ATOM C C . ASN AL 18 28 ? 3.767 27.640 46.408 1.00 88.71 ? 45 ASN y C 1 ? ? +48765 ATOM O O . ASN AL 18 28 ? 2.738 27.444 45.769 1.00 88.75 ? 45 ASN y O 1 ? ? +48766 ATOM N N . LEU AL 18 29 ? 4.985 27.654 45.854 1.00 86.70 ? 46 LEU y N 1 ? ? +48767 ATOM C CA . LEU AL 18 29 ? 5.228 27.373 44.449 1.00 84.70 ? 46 LEU y CA 1 ? ? +48768 ATOM C CB . LEU AL 18 29 ? 6.663 27.774 44.087 1.00 84.31 ? 46 LEU y CB 1 ? ? +48769 ATOM C CG . LEU AL 18 29 ? 6.958 29.263 44.018 1.00 84.56 ? 46 LEU y CG 1 ? ? +48770 ATOM C CD1 . LEU AL 18 29 ? 8.421 29.510 43.702 1.00 84.50 ? 46 LEU y CD1 1 ? ? +48771 ATOM C CD2 . LEU AL 18 29 ? 6.100 29.960 42.976 1.00 84.05 ? 46 LEU y CD2 1 ? ? +48772 ATOM C C . LEU AL 18 29 ? 5.043 25.891 44.146 1.00 83.73 ? 46 LEU y C 1 ? ? +48773 ATOM O O . LEU AL 18 29 ? 4.675 25.512 43.035 1.00 82.38 ? 46 LEU y O 1 ? ? +48774 ATOM O OXT . LEU AL 18 29 ? 5.289 25.063 45.012 1.00 83.67 ? 46 LEU y OXT 1 ? ? +48775 ATOM N N . MET AM 26 1 ? -13.835 67.051 30.980 1.00 117.44 ? 1 MET z N 1 ? ? +48776 ATOM C CA . MET AM 26 1 ? -14.586 65.822 31.193 1.00 117.28 ? 1 MET z CA 1 ? ? +48777 ATOM C CB . MET AM 26 1 ? -16.019 65.992 30.635 1.00 118.15 ? 1 MET z CB 1 ? ? +48778 ATOM C CG . MET AM 26 1 ? -16.897 64.737 30.685 1.00 118.81 ? 1 MET z CG 1 ? ? +48779 ATOM S SD . MET AM 26 1 ? -16.767 63.778 32.229 1.00 121.57 ? 1 MET z SD 1 ? ? +48780 ATOM C CE . MET AM 26 1 ? -17.795 64.697 33.299 1.00 120.76 ? 1 MET z CE 1 ? ? +48781 ATOM C C . MET AM 26 1 ? -13.864 64.626 30.570 1.00 115.06 ? 1 MET z C 1 ? ? +48782 ATOM O O . MET AM 26 1 ? -13.767 63.572 31.200 1.00 112.16 ? 1 MET z O 1 ? ? +48783 ATOM N N . THR AM 26 2 ? -13.341 64.806 29.347 1.00 114.71 ? 2 THR z N 1 ? ? +48784 ATOM C CA . THR AM 26 2 ? -12.508 63.795 28.709 1.00 114.36 ? 2 THR z CA 1 ? ? +48785 ATOM C CB . THR AM 26 2 ? -12.019 64.257 27.320 1.00 113.09 ? 2 THR z CB 1 ? ? +48786 ATOM O OG1 . THR AM 26 2 ? -13.143 64.565 26.505 1.00 112.39 ? 2 THR z OG1 1 ? ? +48787 ATOM C CG2 . THR AM 26 2 ? -11.179 63.196 26.612 1.00 112.05 ? 2 THR z CG2 1 ? ? +48788 ATOM C C . THR AM 26 2 ? -11.337 63.411 29.611 1.00 115.67 ? 2 THR z C 1 ? ? +48789 ATOM O O . THR AM 26 2 ? -10.947 62.248 29.654 1.00 116.25 ? 2 THR z O 1 ? ? +48790 ATOM N N . ILE AM 26 3 ? -10.778 64.406 30.310 1.00 117.21 ? 3 ILE z N 1 ? ? +48791 ATOM C CA . ILE AM 26 3 ? -9.739 64.201 31.310 1.00 117.01 ? 3 ILE z CA 1 ? ? +48792 ATOM C CB . ILE AM 26 3 ? -9.248 65.577 31.892 1.00 118.62 ? 3 ILE z CB 1 ? ? +48793 ATOM C CG1 . ILE AM 26 3 ? -8.385 65.402 33.181 1.00 119.30 ? 3 ILE z CG1 1 ? ? +48794 ATOM C CG2 . ILE AM 26 3 ? -10.407 66.575 32.160 1.00 119.29 ? 3 ILE z CG2 1 ? ? +48795 ATOM C CD1 . ILE AM 26 3 ? -9.155 64.886 34.503 1.00 119.69 ? 3 ILE z CD1 1 ? ? +48796 ATOM C C . ILE AM 26 3 ? -10.208 63.260 32.418 1.00 115.81 ? 3 ILE z C 1 ? ? +48797 ATOM O O . ILE AM 26 3 ? -9.524 62.289 32.732 1.00 114.17 ? 3 ILE z O 1 ? ? +48798 ATOM N N . LEU AM 26 4 ? -11.374 63.562 33.006 1.00 115.69 ? 4 LEU z N 1 ? ? +48799 ATOM C CA . LEU AM 26 4 ? -11.884 62.816 34.146 1.00 114.38 ? 4 LEU z CA 1 ? ? +48800 ATOM C CB . LEU AM 26 4 ? -13.177 63.471 34.675 1.00 114.30 ? 4 LEU z CB 1 ? ? +48801 ATOM C CG . LEU AM 26 4 ? -13.766 62.887 35.985 1.00 114.07 ? 4 LEU z CG 1 ? ? +48802 ATOM C CD1 . LEU AM 26 4 ? -12.867 63.157 37.188 1.00 114.16 ? 4 LEU z CD1 1 ? ? +48803 ATOM C CD2 . LEU AM 26 4 ? -15.154 63.428 36.247 1.00 113.95 ? 4 LEU z CD2 1 ? ? +48804 ATOM C C . LEU AM 26 4 ? -12.119 61.360 33.746 1.00 112.98 ? 4 LEU z C 1 ? ? +48805 ATOM O O . LEU AM 26 4 ? -11.865 60.447 34.535 1.00 112.18 ? 4 LEU z O 1 ? ? +48806 ATOM N N . PHE AM 26 5 ? -12.586 61.156 32.507 1.00 111.58 ? 5 PHE z N 1 ? ? +48807 ATOM C CA . PHE AM 26 5 ? -12.736 59.823 31.949 1.00 109.22 ? 5 PHE z CA 1 ? ? +48808 ATOM C CB . PHE AM 26 5 ? -13.353 59.896 30.550 1.00 108.05 ? 5 PHE z CB 1 ? ? +48809 ATOM C CG . PHE AM 26 5 ? -13.564 58.533 29.952 1.00 106.28 ? 5 PHE z CG 1 ? ? +48810 ATOM C CD1 . PHE AM 26 5 ? -14.607 57.726 30.378 1.00 105.83 ? 5 PHE z CD1 1 ? ? +48811 ATOM C CD2 . PHE AM 26 5 ? -12.720 58.053 28.970 1.00 104.66 ? 5 PHE z CD2 1 ? ? +48812 ATOM C CE1 . PHE AM 26 5 ? -14.799 56.468 29.831 1.00 104.28 ? 5 PHE z CE1 1 ? ? +48813 ATOM C CE2 . PHE AM 26 5 ? -12.927 56.795 28.414 1.00 103.41 ? 5 PHE z CE2 1 ? ? +48814 ATOM C CZ . PHE AM 26 5 ? -13.963 56.010 28.853 1.00 103.23 ? 5 PHE z CZ 1 ? ? +48815 ATOM C C . PHE AM 26 5 ? -11.394 59.095 31.877 1.00 108.63 ? 5 PHE z C 1 ? ? +48816 ATOM O O . PHE AM 26 5 ? -11.239 58.016 32.450 1.00 108.71 ? 5 PHE z O 1 ? ? +48817 ATOM N N . GLN AM 26 6 ? -10.433 59.719 31.180 1.00 108.50 ? 6 GLN z N 1 ? ? +48818 ATOM C CA . GLN AM 26 6 ? -9.101 59.164 30.975 1.00 107.28 ? 6 GLN z CA 1 ? ? +48819 ATOM C CB . GLN AM 26 6 ? -8.259 60.103 30.097 1.00 107.38 ? 6 GLN z CB 1 ? ? +48820 ATOM C CG . GLN AM 26 6 ? -8.698 60.144 28.643 1.00 106.75 ? 6 GLN z CG 1 ? ? +48821 ATOM C CD . GLN AM 26 6 ? -7.973 61.209 27.860 1.00 106.85 ? 6 GLN z CD 1 ? ? +48822 ATOM O OE1 . GLN AM 26 6 ? -7.308 62.089 28.415 1.00 107.91 ? 6 GLN z OE1 1 ? ? +48823 ATOM N NE2 . GLN AM 26 6 ? -8.097 61.169 26.547 1.00 106.30 ? 6 GLN z NE2 1 ? ? +48824 ATOM C C . GLN AM 26 6 ? -8.332 58.904 32.268 1.00 107.20 ? 6 GLN z C 1 ? ? +48825 ATOM O O . GLN AM 26 6 ? -7.484 58.020 32.302 1.00 107.20 ? 6 GLN z O 1 ? ? +48826 ATOM N N . LEU AM 26 7 ? -8.617 59.689 33.315 1.00 107.18 ? 7 LEU z N 1 ? ? +48827 ATOM C CA . LEU AM 26 7 ? -8.072 59.453 34.643 1.00 106.79 ? 7 LEU z CA 1 ? ? +48828 ATOM C CB . LEU AM 26 7 ? -8.364 60.670 35.553 1.00 108.72 ? 7 LEU z CB 1 ? ? +48829 ATOM C CG . LEU AM 26 7 ? -7.340 61.820 35.552 1.00 109.55 ? 7 LEU z CG 1 ? ? +48830 ATOM C CD1 . LEU AM 26 7 ? -6.269 61.581 36.589 1.00 109.75 ? 7 LEU z CD1 1 ? ? +48831 ATOM C CD2 . LEU AM 26 7 ? -6.669 62.025 34.188 1.00 109.06 ? 7 LEU z CD2 1 ? ? +48832 ATOM C C . LEU AM 26 7 ? -8.648 58.178 35.256 1.00 104.89 ? 7 LEU z C 1 ? ? +48833 ATOM O O . LEU AM 26 7 ? -7.890 57.283 35.627 1.00 104.60 ? 7 LEU z O 1 ? ? +48834 ATOM N N . ALA AM 26 8 ? -9.984 58.105 35.343 1.00 103.36 ? 8 ALA z N 1 ? ? +48835 ATOM C CA . ALA AM 26 8 ? -10.665 56.933 35.874 1.00 101.78 ? 8 ALA z CA 1 ? ? +48836 ATOM C CB . ALA AM 26 8 ? -12.178 57.098 35.752 1.00 101.75 ? 8 ALA z CB 1 ? ? +48837 ATOM C C . ALA AM 26 8 ? -10.217 55.652 35.169 1.00 100.13 ? 8 ALA z C 1 ? ? +48838 ATOM O O . ALA AM 26 8 ? -10.046 54.611 35.806 1.00 99.89 ? 8 ALA z O 1 ? ? +48839 ATOM N N . LEU AM 26 9 ? -10.035 55.743 33.845 1.00 98.59 ? 9 LEU z N 1 ? ? +48840 ATOM C CA . LEU AM 26 9 ? -9.639 54.596 33.047 1.00 96.77 ? 9 LEU z CA 1 ? ? +48841 ATOM C CB . LEU AM 26 9 ? -9.877 54.869 31.546 1.00 96.29 ? 9 LEU z CB 1 ? ? +48842 ATOM C CG . LEU AM 26 9 ? -9.734 53.655 30.612 1.00 95.48 ? 9 LEU z CG 1 ? ? +48843 ATOM C CD1 . LEU AM 26 9 ? -10.565 52.465 31.081 1.00 95.33 ? 9 LEU z CD1 1 ? ? +48844 ATOM C CD2 . LEU AM 26 9 ? -10.156 53.992 29.200 1.00 95.07 ? 9 LEU z CD2 1 ? ? +48845 ATOM C C . LEU AM 26 9 ? -8.176 54.232 33.282 1.00 95.82 ? 9 LEU z C 1 ? ? +48846 ATOM O O . LEU AM 26 9 ? -7.833 53.054 33.325 1.00 95.43 ? 9 LEU z O 1 ? ? +48847 ATOM N N . ALA AM 26 10 ? -7.314 55.245 33.421 1.00 95.26 ? 10 ALA z N 1 ? ? +48848 ATOM C CA . ALA AM 26 10 ? -5.918 55.010 33.754 1.00 94.28 ? 10 ALA z CA 1 ? ? +48849 ATOM C CB . ALA AM 26 10 ? -5.096 56.285 33.617 1.00 94.84 ? 10 ALA z CB 1 ? ? +48850 ATOM C C . ALA AM 26 10 ? -5.815 54.449 35.169 1.00 93.65 ? 10 ALA z C 1 ? ? +48851 ATOM O O . ALA AM 26 10 ? -4.981 53.582 35.420 1.00 92.98 ? 10 ALA z O 1 ? ? +48852 ATOM N N . ALA AM 26 11 ? -6.680 54.927 36.076 1.00 93.29 ? 11 ALA z N 1 ? ? +48853 ATOM C CA . ALA AM 26 11 ? -6.741 54.404 37.432 1.00 93.03 ? 11 ALA z CA 1 ? ? +48854 ATOM C CB . ALA AM 26 11 ? -7.759 55.176 38.262 1.00 93.97 ? 11 ALA z CB 1 ? ? +48855 ATOM C C . ALA AM 26 11 ? -7.077 52.914 37.424 1.00 91.72 ? 11 ALA z C 1 ? ? +48856 ATOM O O . ALA AM 26 11 ? -6.471 52.142 38.164 1.00 91.62 ? 11 ALA z O 1 ? ? +48857 ATOM N N . LEU AM 26 12 ? -8.032 52.524 36.569 1.00 90.73 ? 12 LEU z N 1 ? ? +48858 ATOM C CA . LEU AM 26 12 ? -8.413 51.129 36.410 1.00 89.78 ? 12 LEU z CA 1 ? ? +48859 ATOM C CB . LEU AM 26 12 ? -9.628 51.019 35.467 1.00 89.47 ? 12 LEU z CB 1 ? ? +48860 ATOM C CG . LEU AM 26 12 ? -10.124 49.607 35.140 1.00 88.64 ? 12 LEU z CG 1 ? ? +48861 ATOM C CD1 . LEU AM 26 12 ? -10.727 48.933 36.361 1.00 89.07 ? 12 LEU z CD1 1 ? ? +48862 ATOM C CD2 . LEU AM 26 12 ? -11.123 49.638 34.010 1.00 88.32 ? 12 LEU z CD2 1 ? ? +48863 ATOM C C . LEU AM 26 12 ? -7.256 50.279 35.886 1.00 88.61 ? 12 LEU z C 1 ? ? +48864 ATOM O O . LEU AM 26 12 ? -6.998 49.194 36.401 1.00 88.43 ? 12 LEU z O 1 ? ? +48865 ATOM N N . VAL AM 26 13 ? -6.555 50.783 34.866 1.00 88.12 ? 13 VAL z N 1 ? ? +48866 ATOM C CA . VAL AM 26 13 ? -5.407 50.084 34.308 1.00 87.37 ? 13 VAL z CA 1 ? ? +48867 ATOM C CB . VAL AM 26 13 ? -4.847 50.823 33.061 1.00 86.76 ? 13 VAL z CB 1 ? ? +48868 ATOM C CG1 . VAL AM 26 13 ? -3.514 50.238 32.616 1.00 85.96 ? 13 VAL z CG1 1 ? ? +48869 ATOM C CG2 . VAL AM 26 13 ? -5.840 50.801 31.911 1.00 86.40 ? 13 VAL z CG2 1 ? ? +48870 ATOM C C . VAL AM 26 13 ? -4.315 49.869 35.358 1.00 87.97 ? 13 VAL z C 1 ? ? +48871 ATOM O O . VAL AM 26 13 ? -3.768 48.773 35.451 1.00 87.42 ? 13 VAL z O 1 ? ? +48872 ATOM N N . ILE AM 26 14 ? -4.001 50.915 36.139 1.00 89.49 ? 14 ILE z N 1 ? ? +48873 ATOM C CA . ILE AM 26 14 ? -2.979 50.810 37.174 1.00 90.13 ? 14 ILE z CA 1 ? ? +48874 ATOM C CB . ILE AM 26 14 ? -2.460 52.147 37.844 1.00 91.45 ? 14 ILE z CB 1 ? ? +48875 ATOM C CG1 . ILE AM 26 14 ? -3.261 53.457 37.550 1.00 92.06 ? 14 ILE z CG1 1 ? ? +48876 ATOM C CG2 . ILE AM 26 14 ? -0.958 52.358 37.466 1.00 91.15 ? 14 ILE z CG2 1 ? ? +48877 ATOM C CD1 . ILE AM 26 14 ? -2.667 54.362 36.344 1.00 91.90 ? 14 ILE z CD1 1 ? ? +48878 ATOM C C . ILE AM 26 14 ? -3.415 49.819 38.254 1.00 90.29 ? 14 ILE z C 1 ? ? +48879 ATOM O O . ILE AM 26 14 ? -2.666 48.899 38.570 1.00 89.51 ? 14 ILE z O 1 ? ? +48880 ATOM N N . LEU AM 26 15 ? -4.624 50.001 38.800 1.00 90.98 ? 15 LEU z N 1 ? ? +48881 ATOM C CA . LEU AM 26 15 ? -5.150 49.097 39.812 1.00 91.40 ? 15 LEU z CA 1 ? ? +48882 ATOM C CB . LEU AM 26 15 ? -6.588 49.486 40.202 1.00 91.86 ? 15 LEU z CB 1 ? ? +48883 ATOM C CG . LEU AM 26 15 ? -7.312 48.524 41.169 1.00 91.98 ? 15 LEU z CG 1 ? ? +48884 ATOM C CD1 . LEU AM 26 15 ? -6.643 48.476 42.514 1.00 92.53 ? 15 LEU z CD1 1 ? ? +48885 ATOM C CD2 . LEU AM 26 15 ? -8.750 48.904 41.343 1.00 92.43 ? 15 LEU z CD2 1 ? ? +48886 ATOM C C . LEU AM 26 15 ? -5.119 47.645 39.335 1.00 91.36 ? 15 LEU z C 1 ? ? +48887 ATOM O O . LEU AM 26 15 ? -4.745 46.754 40.093 1.00 91.80 ? 15 LEU z O 1 ? ? +48888 ATOM N N . SER AM 26 16 ? -5.516 47.413 38.077 1.00 91.16 ? 16 SER z N 1 ? ? +48889 ATOM C CA . SER AM 26 16 ? -5.513 46.073 37.511 1.00 90.36 ? 16 SER z CA 1 ? ? +48890 ATOM C CB . SER AM 26 16 ? -6.072 46.079 36.092 1.00 89.77 ? 16 SER z CB 1 ? ? +48891 ATOM O OG . SER AM 26 16 ? -7.421 46.514 36.085 1.00 90.68 ? 16 SER z OG 1 ? ? +48892 ATOM C C . SER AM 26 16 ? -4.112 45.466 37.528 1.00 90.03 ? 16 SER z C 1 ? ? +48893 ATOM O O . SER AM 26 16 ? -3.941 44.326 37.949 1.00 90.21 ? 16 SER z O 1 ? ? +48894 ATOM N N . PHE AM 26 17 ? -3.114 46.243 37.090 1.00 89.73 ? 17 PHE z N 1 ? ? +48895 ATOM C CA . PHE AM 26 17 ? -1.735 45.781 37.029 1.00 89.39 ? 17 PHE z CA 1 ? ? +48896 ATOM C CB . PHE AM 26 17 ? -0.865 46.830 36.316 1.00 89.74 ? 17 PHE z CB 1 ? ? +48897 ATOM C CG . PHE AM 26 17 ? 0.577 46.439 36.091 1.00 89.94 ? 17 PHE z CG 1 ? ? +48898 ATOM C CD1 . PHE AM 26 17 ? 1.519 46.591 37.097 1.00 90.80 ? 17 PHE z CD1 1 ? ? +48899 ATOM C CD2 . PHE AM 26 17 ? 0.990 45.910 34.879 1.00 89.48 ? 17 PHE z CD2 1 ? ? +48900 ATOM C CE1 . PHE AM 26 17 ? 2.852 46.227 36.889 1.00 90.51 ? 17 PHE z CE1 1 ? ? +48901 ATOM C CE2 . PHE AM 26 17 ? 2.322 45.545 34.674 1.00 89.23 ? 17 PHE z CE2 1 ? ? +48902 ATOM C CZ . PHE AM 26 17 ? 3.244 45.704 35.680 1.00 89.74 ? 17 PHE z CZ 1 ? ? +48903 ATOM C C . PHE AM 26 17 ? -1.186 45.452 38.418 1.00 89.63 ? 17 PHE z C 1 ? ? +48904 ATOM O O . PHE AM 26 17 ? -0.376 44.543 38.559 1.00 89.55 ? 17 PHE z O 1 ? ? +48905 ATOM N N . VAL AM 26 18 ? -1.635 46.191 39.440 1.00 90.12 ? 18 VAL z N 1 ? ? +48906 ATOM C CA . VAL AM 26 18 ? -1.274 45.904 40.821 1.00 90.45 ? 18 VAL z CA 1 ? ? +48907 ATOM C CB . VAL AM 26 18 ? -1.633 47.115 41.745 1.00 90.99 ? 18 VAL z CB 1 ? ? +48908 ATOM C CG1 . VAL AM 26 18 ? -1.799 46.720 43.215 1.00 91.43 ? 18 VAL z CG1 1 ? ? +48909 ATOM C CG2 . VAL AM 26 18 ? -0.609 48.237 41.602 1.00 91.01 ? 18 VAL z CG2 1 ? ? +48910 ATOM C C . VAL AM 26 18 ? -1.927 44.601 41.282 1.00 90.47 ? 18 VAL z C 1 ? ? +48911 ATOM O O . VAL AM 26 18 ? -1.284 43.784 41.934 1.00 90.25 ? 18 VAL z O 1 ? ? +48912 ATOM N N . MET AM 26 19 ? -3.212 44.425 40.950 1.00 90.78 ? 19 MET z N 1 ? ? +48913 ATOM C CA . MET AM 26 19 ? -3.967 43.244 41.343 1.00 91.02 ? 19 MET z CA 1 ? ? +48914 ATOM C CB . MET AM 26 19 ? -5.443 43.425 40.967 1.00 92.26 ? 19 MET z CB 1 ? ? +48915 ATOM C CG . MET AM 26 19 ? -6.152 44.445 41.835 1.00 94.24 ? 19 MET z CG 1 ? ? +48916 ATOM S SD . MET AM 26 19 ? -6.641 43.767 43.427 1.00 96.94 ? 19 MET z SD 1 ? ? +48917 ATOM C CE . MET AM 26 19 ? -7.935 42.621 42.908 1.00 96.80 ? 19 MET z CE 1 ? ? +48918 ATOM C C . MET AM 26 19 ? -3.422 41.979 40.680 1.00 89.50 ? 19 MET z C 1 ? ? +48919 ATOM O O . MET AM 26 19 ? -3.443 40.901 41.272 1.00 89.63 ? 19 MET z O 1 ? ? +48920 ATOM N N . VAL AM 26 20 ? -2.945 42.123 39.439 1.00 87.82 ? 20 VAL z N 1 ? ? +48921 ATOM C CA . VAL AM 26 20 ? -2.401 41.009 38.681 1.00 86.12 ? 20 VAL z CA 1 ? ? +48922 ATOM C CB . VAL AM 26 20 ? -2.121 41.457 37.221 1.00 85.37 ? 20 VAL z CB 1 ? ? +48923 ATOM C CG1 . VAL AM 26 20 ? -0.959 40.693 36.578 1.00 84.62 ? 20 VAL z CG1 1 ? ? +48924 ATOM C CG2 . VAL AM 26 20 ? -3.394 41.343 36.385 1.00 84.99 ? 20 VAL z CG2 1 ? ? +48925 ATOM C C . VAL AM 26 20 ? -1.176 40.410 39.364 1.00 85.66 ? 20 VAL z C 1 ? ? +48926 ATOM O O . VAL AM 26 20 ? -1.015 39.194 39.375 1.00 85.21 ? 20 VAL z O 1 ? ? +48927 ATOM N N . ILE AM 26 21 ? -0.318 41.275 39.917 1.00 85.97 ? 21 ILE z N 1 ? ? +48928 ATOM C CA . ILE AM 26 21 ? 0.852 40.833 40.657 1.00 85.83 ? 21 ILE z CA 1 ? ? +48929 ATOM C CB . ILE AM 26 21 ? 1.973 41.908 40.612 1.00 86.16 ? 21 ILE z CB 1 ? ? +48930 ATOM C CG1 . ILE AM 26 21 ? 2.356 42.237 39.144 1.00 85.42 ? 21 ILE z CG1 1 ? ? +48931 ATOM C CG2 . ILE AM 26 21 ? 3.187 41.479 41.466 1.00 86.44 ? 21 ILE z CG2 1 ? ? +48932 ATOM C CD1 . ILE AM 26 21 ? 3.783 42.833 38.924 1.00 85.58 ? 21 ILE z CD1 1 ? ? +48933 ATOM C C . ILE AM 26 21 ? 0.461 40.479 42.091 1.00 86.23 ? 21 ILE z C 1 ? ? +48934 ATOM O O . ILE AM 26 21 ? 0.963 39.509 42.652 1.00 86.01 ? 21 ILE z O 1 ? ? +48935 ATOM N N . GLY AM 26 22 ? -0.448 41.271 42.669 1.00 86.75 ? 22 GLY z N 1 ? ? +48936 ATOM C CA . GLY AM 26 22 ? -0.769 41.180 44.082 1.00 87.48 ? 22 GLY z CA 1 ? ? +48937 ATOM C C . GLY AM 26 22 ? -1.478 39.891 44.488 1.00 87.32 ? 22 GLY z C 1 ? ? +48938 ATOM O O . GLY AM 26 22 ? -1.049 39.217 45.423 1.00 87.55 ? 22 GLY z O 1 ? ? +48939 ATOM N N . VAL AM 26 23 ? -2.569 39.569 43.780 1.00 86.77 ? 23 VAL z N 1 ? ? +48940 ATOM C CA . VAL AM 26 23 ? -3.441 38.470 44.165 1.00 86.60 ? 23 VAL z CA 1 ? ? +48941 ATOM C CB . VAL AM 26 23 ? -4.676 38.379 43.236 1.00 85.89 ? 23 VAL z CB 1 ? ? +48942 ATOM C CG1 . VAL AM 26 23 ? -5.443 37.080 43.454 1.00 85.62 ? 23 VAL z CG1 1 ? ? +48943 ATOM C CG2 . VAL AM 26 23 ? -5.589 39.583 43.432 1.00 86.64 ? 23 VAL z CG2 1 ? ? +48944 ATOM C C . VAL AM 26 23 ? -2.673 37.151 44.247 1.00 86.21 ? 23 VAL z C 1 ? ? +48945 ATOM O O . VAL AM 26 23 ? -2.684 36.496 45.288 1.00 86.38 ? 23 VAL z O 1 ? ? +48946 ATOM N N . PRO AM 26 24 ? -1.964 36.717 43.180 1.00 86.02 ? 24 PRO z N 1 ? ? +48947 ATOM C CA . PRO AM 26 24 ? -1.250 35.437 43.226 1.00 86.02 ? 24 PRO z CA 1 ? ? +48948 ATOM C CB . PRO AM 26 24 ? -0.598 35.336 41.840 1.00 84.97 ? 24 PRO z CB 1 ? ? +48949 ATOM C CG . PRO AM 26 24 ? -0.607 36.717 41.295 1.00 85.06 ? 24 PRO z CG 1 ? ? +48950 ATOM C CD . PRO AM 26 24 ? -1.798 37.418 41.894 1.00 85.65 ? 24 PRO z CD 1 ? ? +48951 ATOM C C . PRO AM 26 24 ? -0.221 35.351 44.354 1.00 87.18 ? 24 PRO z C 1 ? ? +48952 ATOM O O . PRO AM 26 24 ? -0.145 34.332 45.041 1.00 87.68 ? 24 PRO z O 1 ? ? +48953 ATOM N N . VAL AM 26 25 ? 0.554 36.430 44.537 1.00 87.73 ? 25 VAL z N 1 ? ? +48954 ATOM C CA . VAL AM 26 25 ? 1.550 36.495 45.597 1.00 88.56 ? 25 VAL z CA 1 ? ? +48955 ATOM C CB . VAL AM 26 25 ? 2.415 37.780 45.471 1.00 89.16 ? 25 VAL z CB 1 ? ? +48956 ATOM C CG1 . VAL AM 26 25 ? 2.938 38.292 46.826 1.00 90.36 ? 25 VAL z CG1 1 ? ? +48957 ATOM C CG2 . VAL AM 26 25 ? 3.571 37.550 44.495 1.00 88.45 ? 25 VAL z CG2 1 ? ? +48958 ATOM C C . VAL AM 26 25 ? 0.889 36.363 46.965 1.00 89.68 ? 25 VAL z C 1 ? ? +48959 ATOM O O . VAL AM 26 25 ? 1.404 35.659 47.828 1.00 90.00 ? 25 VAL z O 1 ? ? +48960 ATOM N N . ALA AM 26 26 ? -0.248 37.041 47.147 1.00 90.51 ? 26 ALA z N 1 ? ? +48961 ATOM C CA . ALA AM 26 26 ? -1.000 36.959 48.388 1.00 91.65 ? 26 ALA z CA 1 ? ? +48962 ATOM C CB . ALA AM 26 26 ? -2.127 37.978 48.383 1.00 92.33 ? 26 ALA z CB 1 ? ? +48963 ATOM C C . ALA AM 26 26 ? -1.553 35.553 48.626 1.00 91.59 ? 26 ALA z C 1 ? ? +48964 ATOM O O . ALA AM 26 26 ? -1.394 34.997 49.709 1.00 92.12 ? 26 ALA z O 1 ? ? +48965 ATOM N N . TYR AM 26 27 ? -2.200 34.979 47.606 1.00 91.42 ? 27 TYR z N 1 ? ? +48966 ATOM C CA . TYR AM 26 27 ? -2.809 33.666 47.742 1.00 91.68 ? 27 TYR z CA 1 ? ? +48967 ATOM C CB . TYR AM 26 27 ? -3.591 33.282 46.464 1.00 90.64 ? 27 TYR z CB 1 ? ? +48968 ATOM C CG . TYR AM 26 27 ? -5.006 33.823 46.368 1.00 90.52 ? 27 TYR z CG 1 ? ? +48969 ATOM C CD1 . TYR AM 26 27 ? -5.803 33.954 47.500 1.00 91.32 ? 27 TYR z CD1 1 ? ? +48970 ATOM C CD2 . TYR AM 26 27 ? -5.570 34.136 45.140 1.00 89.71 ? 27 TYR z CD2 1 ? ? +48971 ATOM C CE1 . TYR AM 26 27 ? -7.107 34.426 47.414 1.00 91.73 ? 27 TYR z CE1 1 ? ? +48972 ATOM C CE2 . TYR AM 26 27 ? -6.873 34.610 45.042 1.00 90.16 ? 27 TYR z CE2 1 ? ? +48973 ATOM C CZ . TYR AM 26 27 ? -7.639 34.750 46.180 1.00 90.97 ? 27 TYR z CZ 1 ? ? +48974 ATOM O OH . TYR AM 26 27 ? -8.922 35.213 46.070 1.00 91.42 ? 27 TYR z OH 1 ? ? +48975 ATOM C C . TYR AM 26 27 ? -1.796 32.568 48.072 1.00 92.37 ? 27 TYR z C 1 ? ? +48976 ATOM O O . TYR AM 26 27 ? -2.132 31.608 48.760 1.00 92.79 ? 27 TYR z O 1 ? ? +48977 ATOM N N . ALA AM 26 28 ? -0.562 32.718 47.580 1.00 92.79 ? 28 ALA z N 1 ? ? +48978 ATOM C CA . ALA AM 26 28 ? 0.462 31.702 47.752 1.00 93.71 ? 28 ALA z CA 1 ? ? +48979 ATOM C CB . ALA AM 26 28 ? 1.171 31.467 46.425 1.00 92.69 ? 28 ALA z CB 1 ? ? +48980 ATOM C C . ALA AM 26 28 ? 1.479 32.052 48.837 1.00 96.25 ? 28 ALA z C 1 ? ? +48981 ATOM O O . ALA AM 26 28 ? 2.509 31.389 48.940 1.00 95.77 ? 28 ALA z O 1 ? ? +48982 ATOM N N . SER AM 26 29 ? 1.188 33.083 49.644 1.00 100.06 ? 29 SER z N 1 ? ? +48983 ATOM C CA . SER AM 26 29 ? 2.040 33.428 50.777 1.00 103.46 ? 29 SER z CA 1 ? ? +48984 ATOM C CB . SER AM 26 29 ? 2.414 34.906 50.742 1.00 103.44 ? 29 SER z CB 1 ? ? +48985 ATOM O OG . SER AM 26 29 ? 3.456 35.122 49.803 1.00 102.69 ? 29 SER z OG 1 ? ? +48986 ATOM C C . SER AM 26 29 ? 1.457 33.069 52.147 1.00 107.85 ? 29 SER z C 1 ? ? +48987 ATOM O O . SER AM 26 29 ? 0.319 33.425 52.445 1.00 108.94 ? 29 SER z O 1 ? ? +48988 ATOM N N . PRO AM 26 30 ? 2.233 32.387 53.030 1.00 112.60 ? 30 PRO z N 1 ? ? +48989 ATOM C CA . PRO AM 26 30 ? 1.704 31.939 54.322 1.00 114.87 ? 30 PRO z CA 1 ? ? +48990 ATOM C CB . PRO AM 26 30 ? 2.798 30.991 54.846 1.00 114.64 ? 30 PRO z CB 1 ? ? +48991 ATOM C CG . PRO AM 26 30 ? 4.062 31.384 54.113 1.00 113.17 ? 30 PRO z CG 1 ? ? +48992 ATOM C CD . PRO AM 26 30 ? 3.663 32.063 52.839 1.00 112.05 ? 30 PRO z CD 1 ? ? +48993 ATOM C C . PRO AM 26 30 ? 1.410 33.097 55.278 1.00 117.41 ? 30 PRO z C 1 ? ? +48994 ATOM O O . PRO AM 26 30 ? 0.245 33.433 55.500 1.00 116.82 ? 30 PRO z O 1 ? ? +48995 ATOM N N . GLN AM 26 31 ? 2.474 33.713 55.812 1.00 121.08 ? 31 GLN z N 1 ? ? +48996 ATOM C CA . GLN AM 26 31 ? 2.335 34.844 56.716 1.00 125.30 ? 31 GLN z CA 1 ? ? +48997 ATOM C CB . GLN AM 26 31 ? 3.673 35.236 57.394 1.00 126.98 ? 31 GLN z CB 1 ? ? +48998 ATOM C CG . GLN AM 26 31 ? 4.859 35.522 56.449 1.00 127.49 ? 31 GLN z CG 1 ? ? +48999 ATOM C CD . GLN AM 26 31 ? 5.587 34.271 55.982 1.00 127.12 ? 31 GLN z CD 1 ? ? +49000 ATOM O OE1 . GLN AM 26 31 ? 5.844 33.329 56.754 1.00 127.63 ? 31 GLN z OE1 1 ? ? +49001 ATOM N NE2 . GLN AM 26 31 ? 5.932 34.227 54.697 1.00 125.43 ? 31 GLN z NE2 1 ? ? +49002 ATOM C C . GLN AM 26 31 ? 1.746 36.043 55.979 1.00 127.65 ? 31 GLN z C 1 ? ? +49003 ATOM O O . GLN AM 26 31 ? 1.888 36.189 54.765 1.00 125.70 ? 31 GLN z O 1 ? ? +49004 ATOM N N . ASP AM 26 32 ? 1.093 36.907 56.761 1.00 132.29 ? 32 ASP z N 1 ? ? +49005 ATOM C CA . ASP AM 26 32 ? 0.423 38.093 56.259 1.00 134.11 ? 32 ASP z CA 1 ? ? +49006 ATOM C CB . ASP AM 26 32 ? 1.458 39.073 55.656 1.00 134.01 ? 32 ASP z CB 1 ? ? +49007 ATOM C CG . ASP AM 26 32 ? 1.090 40.549 55.758 1.00 134.37 ? 32 ASP z CG 1 ? ? +49008 ATOM O OD1 . ASP AM 26 32 ? 0.647 40.981 56.851 1.00 132.32 ? 32 ASP z OD1 1 ? ? +49009 ATOM O OD2 . ASP AM 26 32 ? 1.247 41.271 54.752 1.00 134.34 ? 32 ASP z OD2 1 ? ? +49010 ATOM C C . ASP AM 26 32 ? -0.659 37.672 55.267 1.00 133.65 ? 32 ASP z C 1 ? ? +49011 ATOM O O . ASP AM 26 32 ? -0.757 38.223 54.179 1.00 134.48 ? 32 ASP z O 1 ? ? +49012 ATOM N N . TRP AM 26 33 ? -1.441 36.644 55.634 1.00 131.81 ? 33 TRP z N 1 ? ? +49013 ATOM C CA . TRP AM 26 33 ? -2.625 36.272 54.873 1.00 130.96 ? 33 TRP z CA 1 ? ? +49014 ATOM C CB . TRP AM 26 33 ? -2.940 34.769 54.972 1.00 130.09 ? 33 TRP z CB 1 ? ? +49015 ATOM C CG . TRP AM 26 33 ? -4.354 34.439 54.586 1.00 130.11 ? 33 TRP z CG 1 ? ? +49016 ATOM C CD1 . TRP AM 26 33 ? -5.320 33.937 55.403 1.00 130.95 ? 33 TRP z CD1 1 ? ? +49017 ATOM N NE1 . TRP AM 26 33 ? -6.496 33.790 54.710 1.00 130.79 ? 33 TRP z NE1 1 ? ? +49018 ATOM C CE2 . TRP AM 26 33 ? -6.312 34.208 53.416 1.00 129.63 ? 33 TRP z CE2 1 ? ? +49019 ATOM C CZ2 . TRP AM 26 33 ? -7.206 34.255 52.339 1.00 128.48 ? 33 TRP z CZ2 1 ? ? +49020 ATOM C CH2 . TRP AM 26 33 ? -6.730 34.725 51.140 1.00 126.74 ? 33 TRP z CH2 1 ? ? +49021 ATOM C CZ3 . TRP AM 26 33 ? -5.409 35.156 51.000 1.00 126.85 ? 33 TRP z CZ3 1 ? ? +49022 ATOM C CE3 . TRP AM 26 33 ? -4.522 35.110 52.064 1.00 128.27 ? 33 TRP z CE3 1 ? ? +49023 ATOM C CD2 . TRP AM 26 33 ? -4.971 34.625 53.300 1.00 129.41 ? 33 TRP z CD2 1 ? ? +49024 ATOM C C . TRP AM 26 33 ? -3.831 37.104 55.307 1.00 131.81 ? 33 TRP z C 1 ? ? +49025 ATOM O O . TRP AM 26 33 ? -4.637 37.503 54.465 1.00 132.67 ? 33 TRP z O 1 ? ? +49026 ATOM N N . ASP AM 26 34 ? -3.937 37.389 56.611 1.00 132.60 ? 34 ASP z N 1 ? ? +49027 ATOM C CA . ASP AM 26 34 ? -5.067 38.135 57.153 1.00 132.79 ? 34 ASP z CA 1 ? ? +49028 ATOM C CB . ASP AM 26 34 ? -5.107 38.008 58.687 1.00 132.96 ? 34 ASP z CB 1 ? ? +49029 ATOM C CG . ASP AM 26 34 ? -5.546 36.654 59.195 1.00 132.47 ? 34 ASP z CG 1 ? ? +49030 ATOM O OD1 . ASP AM 26 34 ? -6.611 36.183 58.763 1.00 131.93 ? 34 ASP z OD1 1 ? ? +49031 ATOM O OD2 . ASP AM 26 34 ? -4.829 36.072 60.042 1.00 132.56 ? 34 ASP z OD2 1 ? ? +49032 ATOM C C . ASP AM 26 34 ? -5.076 39.620 56.785 1.00 133.31 ? 34 ASP z C 1 ? ? +49033 ATOM O O . ASP AM 26 34 ? -6.144 40.229 56.691 1.00 133.69 ? 34 ASP z O 1 ? ? +49034 ATOM N N . ARG AM 26 35 ? -3.879 40.200 56.613 1.00 132.43 ? 35 ARG z N 1 ? ? +49035 ATOM C CA . ARG AM 26 35 ? -3.739 41.528 56.039 1.00 131.49 ? 35 ARG z CA 1 ? ? +49036 ATOM C CB . ARG AM 26 35 ? -2.309 42.078 56.246 1.00 132.95 ? 35 ARG z CB 1 ? ? +49037 ATOM C CG . ARG AM 26 35 ? -2.021 43.447 55.599 1.00 134.03 ? 35 ARG z CG 1 ? ? +49038 ATOM C CD . ARG AM 26 35 ? -0.531 43.814 55.610 1.00 134.46 ? 35 ARG z CD 1 ? ? +49039 ATOM N NE . ARG AM 26 35 ? -0.196 44.960 54.765 1.00 134.35 ? 35 ARG z NE 1 ? ? +49040 ATOM C CZ . ARG AM 26 35 ? -0.335 46.237 55.109 1.00 134.41 ? 35 ARG z CZ 1 ? ? +49041 ATOM N NH1 . ARG AM 26 35 ? -0.857 46.590 56.274 1.00 135.20 ? 35 ARG z NH1 1 ? ? +49042 ATOM N NH2 . ARG AM 26 35 ? 0.060 47.184 54.261 1.00 133.55 ? 35 ARG z NH2 1 ? ? +49043 ATOM C C . ARG AM 26 35 ? -4.085 41.440 54.554 1.00 128.76 ? 35 ARG z C 1 ? ? +49044 ATOM O O . ARG AM 26 35 ? -4.845 42.261 54.046 1.00 129.01 ? 35 ARG z O 1 ? ? +49045 ATOM N N . SER AM 26 36 ? -3.522 40.427 53.877 1.00 124.81 ? 36 SER z N 1 ? ? +49046 ATOM C CA . SER AM 26 36 ? -3.727 40.228 52.454 1.00 120.89 ? 36 SER z CA 1 ? ? +49047 ATOM C CB . SER AM 26 36 ? -2.882 39.065 51.963 1.00 119.41 ? 36 SER z CB 1 ? ? +49048 ATOM O OG . SER AM 26 36 ? -1.511 39.401 52.090 1.00 118.54 ? 36 SER z OG 1 ? ? +49049 ATOM C C . SER AM 26 36 ? -5.194 40.031 52.086 1.00 119.27 ? 36 SER z C 1 ? ? +49050 ATOM O O . SER AM 26 36 ? -5.661 40.636 51.124 1.00 119.33 ? 36 SER z O 1 ? ? +49051 ATOM N N . LYS AM 26 37 ? -5.906 39.204 52.864 1.00 118.31 ? 37 LYS z N 1 ? ? +49052 ATOM C CA . LYS AM 26 37 ? -7.309 38.914 52.599 1.00 118.27 ? 37 LYS z CA 1 ? ? +49053 ATOM C CB . LYS AM 26 37 ? -7.890 37.959 53.667 1.00 120.03 ? 37 LYS z CB 1 ? ? +49054 ATOM C CG . LYS AM 26 37 ? -9.419 38.001 53.793 1.00 121.27 ? 37 LYS z CG 1 ? ? +49055 ATOM C CD . LYS AM 26 37 ? -10.003 37.063 54.842 1.00 122.83 ? 37 LYS z CD 1 ? ? +49056 ATOM C CE . LYS AM 26 37 ? -10.383 35.693 54.308 1.00 122.80 ? 37 LYS z CE 1 ? ? +49057 ATOM N NZ . LYS AM 26 37 ? -11.577 35.132 55.019 1.00 124.08 ? 37 LYS z NZ 1 ? ? +49058 ATOM C C . LYS AM 26 37 ? -8.129 40.201 52.514 1.00 117.62 ? 37 LYS z C 1 ? ? +49059 ATOM O O . LYS AM 26 37 ? -8.972 40.336 51.627 1.00 117.58 ? 37 LYS z O 1 ? ? +49060 ATOM N N . GLN AM 26 38 ? -7.868 41.138 53.436 1.00 116.73 ? 38 GLN z N 1 ? ? +49061 ATOM C CA . GLN AM 26 38 ? -8.619 42.384 53.473 1.00 115.83 ? 38 GLN z CA 1 ? ? +49062 ATOM C CB . GLN AM 26 38 ? -8.571 43.034 54.875 1.00 117.66 ? 38 GLN z CB 1 ? ? +49063 ATOM C CG . GLN AM 26 38 ? -7.210 43.443 55.402 1.00 118.38 ? 38 GLN z CG 1 ? ? +49064 ATOM C CD . GLN AM 26 38 ? -7.310 44.215 56.711 1.00 120.02 ? 38 GLN z CD 1 ? ? +49065 ATOM O OE1 . GLN AM 26 38 ? -6.312 44.452 57.398 1.00 120.72 ? 38 GLN z OE1 1 ? ? +49066 ATOM N NE2 . GLN AM 26 38 ? -8.512 44.626 57.107 1.00 120.97 ? 38 GLN z NE2 1 ? ? +49067 ATOM C C . GLN AM 26 38 ? -8.197 43.348 52.362 1.00 112.79 ? 38 GLN z C 1 ? ? +49068 ATOM O O . GLN AM 26 38 ? -9.048 44.048 51.814 1.00 112.00 ? 38 GLN z O 1 ? ? +49069 ATOM N N . LEU AM 26 39 ? -6.905 43.365 52.002 1.00 111.06 ? 39 LEU z N 1 ? ? +49070 ATOM C CA . LEU AM 26 39 ? -6.443 44.147 50.860 1.00 110.37 ? 39 LEU z CA 1 ? ? +49071 ATOM C CB . LEU AM 26 39 ? -4.923 44.040 50.619 1.00 110.12 ? 39 LEU z CB 1 ? ? +49072 ATOM C CG . LEU AM 26 39 ? -3.971 44.621 51.645 1.00 111.52 ? 39 LEU z CG 1 ? ? +49073 ATOM C CD1 . LEU AM 26 39 ? -2.975 43.587 52.081 1.00 112.51 ? 39 LEU z CD1 1 ? ? +49074 ATOM C CD2 . LEU AM 26 39 ? -3.219 45.814 51.115 1.00 111.11 ? 39 LEU z CD2 1 ? ? +49075 ATOM C C . LEU AM 26 39 ? -7.094 43.715 49.545 1.00 109.33 ? 39 LEU z C 1 ? ? +49076 ATOM O O . LEU AM 26 39 ? -7.437 44.549 48.704 1.00 108.93 ? 39 LEU z O 1 ? ? +49077 ATOM N N . ILE AM 26 40 ? -7.207 42.397 49.353 1.00 107.91 ? 40 ILE z N 1 ? ? +49078 ATOM C CA . ILE AM 26 40 ? -7.805 41.842 48.151 1.00 105.88 ? 40 ILE z CA 1 ? ? +49079 ATOM C CB . ILE AM 26 40 ? -7.477 40.339 48.039 1.00 105.05 ? 40 ILE z CB 1 ? ? +49080 ATOM C CG1 . ILE AM 26 40 ? -5.941 40.088 47.913 1.00 104.68 ? 40 ILE z CG1 1 ? ? +49081 ATOM C CG2 . ILE AM 26 40 ? -8.222 39.715 46.882 1.00 104.70 ? 40 ILE z CG2 1 ? ? +49082 ATOM C CD1 . ILE AM 26 40 ? -5.112 41.238 47.199 1.00 104.67 ? 40 ILE z CD1 1 ? ? +49083 ATOM C C . ILE AM 26 40 ? -9.305 42.131 48.098 1.00 105.99 ? 40 ILE z C 1 ? ? +49084 ATOM O O . ILE AM 26 40 ? -9.831 42.437 47.032 1.00 106.41 ? 40 ILE z O 1 ? ? +49085 ATOM N N . PHE AM 26 41 ? -9.989 42.037 49.244 1.00 106.38 ? 41 PHE z N 1 ? ? +49086 ATOM C CA . PHE AM 26 41 ? -11.355 42.527 49.346 1.00 107.82 ? 41 PHE z CA 1 ? ? +49087 ATOM C CB . PHE AM 26 41 ? -11.902 42.448 50.786 1.00 111.70 ? 41 PHE z CB 1 ? ? +49088 ATOM C CG . PHE AM 26 41 ? -12.607 41.167 51.175 1.00 114.47 ? 41 PHE z CG 1 ? ? +49089 ATOM C CD1 . PHE AM 26 41 ? -13.839 40.831 50.625 1.00 115.33 ? 41 PHE z CD1 1 ? ? +49090 ATOM C CD2 . PHE AM 26 41 ? -12.049 40.310 52.108 1.00 115.78 ? 41 PHE z CD2 1 ? ? +49091 ATOM C CE1 . PHE AM 26 41 ? -14.489 39.650 50.999 1.00 116.01 ? 41 PHE z CE1 1 ? ? +49092 ATOM C CE2 . PHE AM 26 41 ? -12.702 39.135 52.484 1.00 116.69 ? 41 PHE z CE2 1 ? ? +49093 ATOM C CZ . PHE AM 26 41 ? -13.915 38.809 51.925 1.00 116.20 ? 41 PHE z CZ 1 ? ? +49094 ATOM C C . PHE AM 26 41 ? -11.425 43.970 48.851 1.00 106.08 ? 41 PHE z C 1 ? ? +49095 ATOM O O . PHE AM 26 41 ? -12.227 44.281 47.971 1.00 105.29 ? 41 PHE z O 1 ? ? +49096 ATOM N N . LEU AM 26 42 ? -10.571 44.836 49.417 1.00 104.89 ? 42 LEU z N 1 ? ? +49097 ATOM C CA . LEU AM 26 42 ? -10.473 46.235 49.020 1.00 104.11 ? 42 LEU z CA 1 ? ? +49098 ATOM C CB . LEU AM 26 42 ? -9.249 46.949 49.659 1.00 104.39 ? 42 LEU z CB 1 ? ? +49099 ATOM C CG . LEU AM 26 42 ? -9.384 47.940 50.825 1.00 105.05 ? 42 LEU z CG 1 ? ? +49100 ATOM C CD1 . LEU AM 26 42 ? -8.801 49.312 50.411 1.00 105.04 ? 42 LEU z CD1 1 ? ? +49101 ATOM C CD2 . LEU AM 26 42 ? -10.795 48.055 51.335 1.00 105.48 ? 42 LEU z CD2 1 ? ? +49102 ATOM C C . LEU AM 26 42 ? -10.287 46.409 47.515 1.00 102.90 ? 42 LEU z C 1 ? ? +49103 ATOM O O . LEU AM 26 42 ? -11.071 47.095 46.863 1.00 103.94 ? 42 LEU z O 1 ? ? +49104 ATOM N N . GLY AM 26 43 ? -9.207 45.817 46.989 1.00 101.14 ? 43 GLY z N 1 ? ? +49105 ATOM C CA . GLY AM 26 43 ? -8.868 45.947 45.584 1.00 99.77 ? 43 GLY z CA 1 ? ? +49106 ATOM C C . GLY AM 26 43 ? -10.038 45.545 44.691 1.00 99.08 ? 43 GLY z C 1 ? ? +49107 ATOM O O . GLY AM 26 43 ? -10.373 46.259 43.748 1.00 99.51 ? 43 GLY z O 1 ? ? +49108 ATOM N N . SER AM 26 44 ? -10.653 44.400 45.022 1.00 98.02 ? 44 SER z N 1 ? ? +49109 ATOM C CA . SER AM 26 44 ? -11.808 43.881 44.305 1.00 96.49 ? 44 SER z CA 1 ? ? +49110 ATOM C CB . SER AM 26 44 ? -12.303 42.589 44.952 1.00 96.32 ? 44 SER z CB 1 ? ? +49111 ATOM O OG . SER AM 26 44 ? -11.301 41.584 44.909 1.00 95.28 ? 44 SER z OG 1 ? ? +49112 ATOM C C . SER AM 26 44 ? -12.951 44.891 44.216 1.00 95.66 ? 44 SER z C 1 ? ? +49113 ATOM O O . SER AM 26 44 ? -13.397 45.218 43.120 1.00 95.39 ? 44 SER z O 1 ? ? +49114 ATOM N N . GLY AM 26 45 ? -13.410 45.382 45.371 1.00 95.47 ? 45 GLY z N 1 ? ? +49115 ATOM C CA . GLY AM 26 45 ? -14.434 46.414 45.416 1.00 95.45 ? 45 GLY z CA 1 ? ? +49116 ATOM C C . GLY AM 26 45 ? -14.078 47.651 44.593 1.00 94.95 ? 45 GLY z C 1 ? ? +49117 ATOM O O . GLY AM 26 45 ? -14.899 48.139 43.819 1.00 94.67 ? 45 GLY z O 1 ? ? +49118 ATOM N N . LEU AM 26 46 ? -12.841 48.137 44.769 1.00 94.35 ? 46 LEU z N 1 ? ? +49119 ATOM C CA . LEU AM 26 46 ? -12.309 49.284 44.043 1.00 94.01 ? 46 LEU z CA 1 ? ? +49120 ATOM C CB . LEU AM 26 46 ? -10.813 49.486 44.437 1.00 94.26 ? 46 LEU z CB 1 ? ? +49121 ATOM C CG . LEU AM 26 46 ? -10.232 50.881 44.800 1.00 95.07 ? 46 LEU z CG 1 ? ? +49122 ATOM C CD1 . LEU AM 26 46 ? -11.184 52.047 44.502 1.00 95.79 ? 46 LEU z CD1 1 ? ? +49123 ATOM C CD2 . LEU AM 26 46 ? -9.795 50.907 46.260 1.00 95.76 ? 46 LEU z CD2 1 ? ? +49124 ATOM C C . LEU AM 26 46 ? -12.338 49.065 42.529 1.00 92.71 ? 46 LEU z C 1 ? ? +49125 ATOM O O . LEU AM 26 46 ? -12.659 49.974 41.762 1.00 93.23 ? 46 LEU z O 1 ? ? +49126 ATOM N N . TRP AM 26 47 ? -11.944 47.853 42.116 1.00 90.85 ? 47 TRP z N 1 ? ? +49127 ATOM C CA . TRP AM 26 47 ? -11.884 47.485 40.711 1.00 89.21 ? 47 TRP z CA 1 ? ? +49128 ATOM C CB . TRP AM 26 47 ? -11.238 46.102 40.557 1.00 87.82 ? 47 TRP z CB 1 ? ? +49129 ATOM C CG . TRP AM 26 47 ? -10.873 45.736 39.150 1.00 86.08 ? 47 TRP z CG 1 ? ? +49130 ATOM C CD1 . TRP AM 26 47 ? -9.721 46.044 38.488 1.00 85.30 ? 47 TRP z CD1 1 ? ? +49131 ATOM N NE1 . TRP AM 26 47 ? -9.756 45.530 37.211 1.00 84.26 ? 47 TRP z NE1 1 ? ? +49132 ATOM C CE2 . TRP AM 26 47 ? -10.955 44.889 37.025 1.00 84.09 ? 47 TRP z CE2 1 ? ? +49133 ATOM C CZ2 . TRP AM 26 47 ? -11.461 44.221 35.912 1.00 83.23 ? 47 TRP z CZ2 1 ? ? +49134 ATOM C CH2 . TRP AM 26 47 ? -12.712 43.662 36.024 1.00 83.17 ? 47 TRP z CH2 1 ? ? +49135 ATOM C CZ3 . TRP AM 26 47 ? -13.456 43.763 37.200 1.00 83.87 ? 47 TRP z CZ3 1 ? ? +49136 ATOM C CE3 . TRP AM 26 47 ? -12.959 44.422 38.302 1.00 84.71 ? 47 TRP z CE3 1 ? ? +49137 ATOM C CD2 . TRP AM 26 47 ? -11.683 44.999 38.228 1.00 84.99 ? 47 TRP z CD2 1 ? ? +49138 ATOM C C . TRP AM 26 47 ? -13.272 47.491 40.077 1.00 89.12 ? 47 TRP z C 1 ? ? +49139 ATOM O O . TRP AM 26 47 ? -13.465 48.080 39.017 1.00 88.59 ? 47 TRP z O 1 ? ? +49140 ATOM N N . ILE AM 26 48 ? -14.224 46.828 40.746 1.00 89.49 ? 48 ILE z N 1 ? ? +49141 ATOM C CA . ILE AM 26 48 ? -15.609 46.789 40.308 1.00 89.71 ? 48 ILE z CA 1 ? ? +49142 ATOM C CB . ILE AM 26 48 ? -16.451 45.903 41.261 1.00 89.94 ? 48 ILE z CB 1 ? ? +49143 ATOM C CG1 . ILE AM 26 48 ? -16.003 44.432 41.220 1.00 89.07 ? 48 ILE z CG1 1 ? ? +49144 ATOM C CG2 . ILE AM 26 48 ? -17.950 46.018 40.958 1.00 90.29 ? 48 ILE z CG2 1 ? ? +49145 ATOM C CD1 . ILE AM 26 48 ? -16.146 43.713 42.608 1.00 89.72 ? 48 ILE z CD1 1 ? ? +49146 ATOM C C . ILE AM 26 48 ? -16.176 48.201 40.218 1.00 90.77 ? 48 ILE z C 1 ? ? +49147 ATOM O O . ILE AM 26 48 ? -16.874 48.529 39.258 1.00 90.65 ? 48 ILE z O 1 ? ? +49148 ATOM N N . ALA AM 26 49 ? -15.863 49.024 41.227 1.00 91.87 ? 49 ALA z N 1 ? ? +49149 ATOM C CA . ALA AM 26 49 ? -16.340 50.396 41.286 1.00 92.71 ? 49 ALA z CA 1 ? ? +49150 ATOM C CB . ALA AM 26 49 ? -15.899 51.054 42.589 1.00 93.56 ? 49 ALA z CB 1 ? ? +49151 ATOM C C . ALA AM 26 49 ? -15.858 51.214 40.091 1.00 92.33 ? 49 ALA z C 1 ? ? +49152 ATOM O O . ALA AM 26 49 ? -16.660 51.897 39.455 1.00 92.89 ? 49 ALA z O 1 ? ? +49153 ATOM N N . LEU AM 26 50 ? -14.553 51.135 39.796 1.00 91.54 ? 50 LEU z N 1 ? ? +49154 ATOM C CA . LEU AM 26 50 ? -13.974 51.848 38.669 1.00 91.28 ? 50 LEU z CA 1 ? ? +49155 ATOM C CB . LEU AM 26 50 ? -12.452 51.642 38.636 1.00 91.13 ? 50 LEU z CB 1 ? ? +49156 ATOM C CG . LEU AM 26 50 ? -11.645 52.389 39.684 1.00 92.07 ? 50 LEU z CG 1 ? ? +49157 ATOM C CD1 . LEU AM 26 50 ? -10.165 52.059 39.563 1.00 91.74 ? 50 LEU z CD1 1 ? ? +49158 ATOM C CD2 . LEU AM 26 50 ? -11.829 53.891 39.548 1.00 92.74 ? 50 LEU z CD2 1 ? ? +49159 ATOM C C . LEU AM 26 50 ? -14.571 51.396 37.338 1.00 90.42 ? 50 LEU z C 1 ? ? +49160 ATOM O O . LEU AM 26 50 ? -14.780 52.217 36.451 1.00 90.28 ? 50 LEU z O 1 ? ? +49161 ATOM N N . VAL AM 26 51 ? -14.825 50.086 37.205 1.00 89.70 ? 51 VAL z N 1 ? ? +49162 ATOM C CA . VAL AM 26 51 ? -15.421 49.536 35.998 1.00 88.60 ? 51 VAL z CA 1 ? ? +49163 ATOM C CB . VAL AM 26 51 ? -15.543 47.987 36.043 1.00 87.68 ? 51 VAL z CB 1 ? ? +49164 ATOM C CG1 . VAL AM 26 51 ? -16.419 47.448 34.918 1.00 87.05 ? 51 VAL z CG1 1 ? ? +49165 ATOM C CG2 . VAL AM 26 51 ? -14.174 47.334 36.006 1.00 86.98 ? 51 VAL z CG2 1 ? ? +49166 ATOM C C . VAL AM 26 51 ? -16.777 50.196 35.765 1.00 89.04 ? 51 VAL z C 1 ? ? +49167 ATOM O O . VAL AM 26 51 ? -17.042 50.690 34.672 1.00 88.81 ? 51 VAL z O 1 ? ? +49168 ATOM N N . LEU AM 26 52 ? -17.630 50.205 36.795 1.00 89.70 ? 52 LEU z N 1 ? ? +49169 ATOM C CA . LEU AM 26 52 ? -18.942 50.818 36.669 1.00 90.36 ? 52 LEU z CA 1 ? ? +49170 ATOM C CB . LEU AM 26 52 ? -19.785 50.519 37.920 1.00 90.81 ? 52 LEU z CB 1 ? ? +49171 ATOM C CG . LEU AM 26 52 ? -20.272 49.045 37.977 1.00 90.05 ? 52 LEU z CG 1 ? ? +49172 ATOM C CD1 . LEU AM 26 52 ? -20.792 48.659 39.341 1.00 90.55 ? 52 LEU z CD1 1 ? ? +49173 ATOM C CD2 . LEU AM 26 52 ? -21.355 48.784 36.951 1.00 89.60 ? 52 LEU z CD2 1 ? ? +49174 ATOM C C . LEU AM 26 52 ? -18.809 52.314 36.390 1.00 91.25 ? 52 LEU z C 1 ? ? +49175 ATOM O O . LEU AM 26 52 ? -19.507 52.834 35.526 1.00 91.41 ? 52 LEU z O 1 ? ? +49176 ATOM N N . VAL AM 26 53 ? -17.877 52.983 37.083 1.00 91.86 ? 53 VAL z N 1 ? ? +49177 ATOM C CA . VAL AM 26 53 ? -17.635 54.407 36.889 1.00 92.59 ? 53 VAL z CA 1 ? ? +49178 ATOM C CB . VAL AM 26 53 ? -16.587 54.943 37.909 1.00 93.04 ? 53 VAL z CB 1 ? ? +49179 ATOM C CG1 . VAL AM 26 53 ? -15.834 56.176 37.390 1.00 93.31 ? 53 VAL z CG1 1 ? ? +49180 ATOM C CG2 . VAL AM 26 53 ? -17.247 55.228 39.254 1.00 93.74 ? 53 VAL z CG2 1 ? ? +49181 ATOM C C . VAL AM 26 53 ? -17.249 54.722 35.444 1.00 92.25 ? 53 VAL z C 1 ? ? +49182 ATOM O O . VAL AM 26 53 ? -17.868 55.584 34.826 1.00 92.69 ? 53 VAL z O 1 ? ? +49183 ATOM N N . VAL AM 26 54 ? -16.235 54.024 34.914 1.00 91.76 ? 54 VAL z N 1 ? ? +49184 ATOM C CA . VAL AM 26 54 ? -15.849 54.157 33.516 1.00 91.35 ? 54 VAL z CA 1 ? ? +49185 ATOM C CB . VAL AM 26 54 ? -14.635 53.253 33.169 1.00 90.36 ? 54 VAL z CB 1 ? ? +49186 ATOM C CG1 . VAL AM 26 54 ? -14.408 53.168 31.663 1.00 89.80 ? 54 VAL z CG1 1 ? ? +49187 ATOM C CG2 . VAL AM 26 54 ? -13.374 53.729 33.869 1.00 90.59 ? 54 VAL z CG2 1 ? ? +49188 ATOM C C . VAL AM 26 54 ? -17.021 53.845 32.587 1.00 91.28 ? 54 VAL z C 1 ? ? +49189 ATOM O O . VAL AM 26 54 ? -17.220 54.535 31.591 1.00 91.34 ? 54 VAL z O 1 ? ? +49190 ATOM N N . GLY AM 26 55 ? -17.777 52.791 32.921 1.00 91.45 ? 55 GLY z N 1 ? ? +49191 ATOM C CA . GLY AM 26 55 ? -18.922 52.364 32.133 1.00 91.21 ? 55 GLY z CA 1 ? ? +49192 ATOM C C . GLY AM 26 55 ? -19.987 53.444 31.968 1.00 92.00 ? 55 GLY z C 1 ? ? +49193 ATOM O O . GLY AM 26 55 ? -20.568 53.584 30.892 1.00 91.72 ? 55 GLY z O 1 ? ? +49194 ATOM N N . VAL AM 26 56 ? -20.232 54.201 33.045 1.00 93.43 ? 56 VAL z N 1 ? ? +49195 ATOM C CA . VAL AM 26 56 ? -21.212 55.275 33.031 1.00 94.51 ? 56 VAL z CA 1 ? ? +49196 ATOM C CB . VAL AM 26 56 ? -21.759 55.579 34.446 1.00 95.01 ? 56 VAL z CB 1 ? ? +49197 ATOM C CG1 . VAL AM 26 56 ? -22.676 56.798 34.432 1.00 95.83 ? 56 VAL z CG1 1 ? ? +49198 ATOM C CG2 . VAL AM 26 56 ? -22.484 54.365 35.028 1.00 94.71 ? 56 VAL z CG2 1 ? ? +49199 ATOM C C . VAL AM 26 56 ? -20.613 56.518 32.378 1.00 95.58 ? 56 VAL z C 1 ? ? +49200 ATOM O O . VAL AM 26 56 ? -21.278 57.167 31.581 1.00 95.55 ? 56 VAL z O 1 ? ? +49201 ATOM N N . LEU AM 26 57 ? -19.355 56.833 32.711 1.00 96.95 ? 57 LEU z N 1 ? ? +49202 ATOM C CA . LEU AM 26 57 ? -18.669 57.984 32.142 1.00 98.51 ? 57 LEU z CA 1 ? ? +49203 ATOM C CB . LEU AM 26 57 ? -17.306 58.223 32.830 1.00 98.89 ? 57 LEU z CB 1 ? ? +49204 ATOM C CG . LEU AM 26 57 ? -17.233 59.318 33.903 1.00 100.04 ? 57 LEU z CG 1 ? ? +49205 ATOM C CD1 . LEU AM 26 57 ? -17.923 58.892 35.180 1.00 100.44 ? 57 LEU z CD1 1 ? ? +49206 ATOM C CD2 . LEU AM 26 57 ? -15.770 59.708 34.152 1.00 100.04 ? 57 LEU z CD2 1 ? ? +49207 ATOM C C . LEU AM 26 57 ? -18.431 57.877 30.636 1.00 99.26 ? 57 LEU z C 1 ? ? +49208 ATOM O O . LEU AM 26 57 ? -18.247 58.898 29.978 1.00 99.80 ? 57 LEU z O 1 ? ? +49209 ATOM N N . ASN AM 26 58 ? -18.404 56.645 30.105 1.00 100.21 ? 58 ASN z N 1 ? ? +49210 ATOM C CA . ASN AM 26 58 ? -18.350 56.421 28.664 1.00 100.55 ? 58 ASN z CA 1 ? ? +49211 ATOM C CB . ASN AM 26 58 ? -18.571 54.933 28.352 1.00 98.60 ? 58 ASN z CB 1 ? ? +49212 ATOM C CG . ASN AM 26 58 ? -18.689 54.617 26.887 1.00 97.09 ? 58 ASN z CG 1 ? ? +49213 ATOM O OD1 . ASN AM 26 58 ? -17.715 54.638 26.133 1.00 95.17 ? 58 ASN z OD1 1 ? ? +49214 ATOM N ND2 . ASN AM 26 58 ? -19.892 54.277 26.452 1.00 97.47 ? 58 ASN z ND2 1 ? ? +49215 ATOM C C . ASN AM 26 58 ? -19.386 57.303 27.967 1.00 103.62 ? 58 ASN z C 1 ? ? +49216 ATOM O O . ASN AM 26 58 ? -19.171 57.797 26.867 1.00 103.21 ? 58 ASN z O 1 ? ? +49217 ATOM N N . PHE AM 26 59 ? -20.500 57.515 28.678 1.00 107.37 ? 59 PHE z N 1 ? ? +49218 ATOM C CA . PHE AM 26 59 ? -21.493 58.535 28.383 1.00 111.01 ? 59 PHE z CA 1 ? ? +49219 ATOM C CB . PHE AM 26 59 ? -22.924 57.957 28.512 1.00 110.40 ? 59 PHE z CB 1 ? ? +49220 ATOM C CG . PHE AM 26 59 ? -23.098 56.515 28.079 1.00 108.49 ? 59 PHE z CG 1 ? ? +49221 ATOM C CD1 . PHE AM 26 59 ? -22.580 55.469 28.839 1.00 107.30 ? 59 PHE z CD1 1 ? ? +49222 ATOM C CD2 . PHE AM 26 59 ? -23.779 56.203 26.918 1.00 107.89 ? 59 PHE z CD2 1 ? ? +49223 ATOM C CE1 . PHE AM 26 59 ? -22.740 54.150 28.437 1.00 105.85 ? 59 PHE z CE1 1 ? ? +49224 ATOM C CE2 . PHE AM 26 59 ? -23.933 54.880 26.520 1.00 106.65 ? 59 PHE z CE2 1 ? ? +49225 ATOM C CZ . PHE AM 26 59 ? -23.412 53.863 27.281 1.00 105.44 ? 59 PHE z CZ 1 ? ? +49226 ATOM C C . PHE AM 26 59 ? -21.321 59.702 29.366 1.00 116.76 ? 59 PHE z C 1 ? ? +49227 ATOM O O . PHE AM 26 59 ? -21.835 59.665 30.486 1.00 118.55 ? 59 PHE z O 1 ? ? +49228 ATOM N N . PHE AM 26 60 ? -20.646 60.782 28.957 1.00 120.69 ? 60 PHE z N 1 ? ? +49229 ATOM C CA . PHE AM 26 60 ? -20.346 61.096 27.571 1.00 123.92 ? 60 PHE z CA 1 ? ? +49230 ATOM C CB . PHE AM 26 60 ? -20.989 62.463 27.217 1.00 130.82 ? 60 PHE z CB 1 ? ? +49231 ATOM C CG . PHE AM 26 60 ? -22.331 62.412 26.495 1.00 138.05 ? 60 PHE z CG 1 ? ? +49232 ATOM C CD1 . PHE AM 26 60 ? -23.007 61.207 26.312 1.00 140.71 ? 60 PHE z CD1 1 ? ? +49233 ATOM C CD2 . PHE AM 26 60 ? -22.897 63.566 25.969 1.00 139.00 ? 60 PHE z CD2 1 ? ? +49234 ATOM C CE1 . PHE AM 26 60 ? -24.226 61.169 25.639 1.00 141.34 ? 60 PHE z CE1 1 ? ? +49235 ATOM C CE2 . PHE AM 26 60 ? -24.116 63.521 25.296 1.00 138.98 ? 60 PHE z CE2 1 ? ? +49236 ATOM C CZ . PHE AM 26 60 ? -24.773 62.324 25.137 1.00 140.27 ? 60 PHE z CZ 1 ? ? +49237 ATOM C C . PHE AM 26 60 ? -18.843 61.021 27.314 1.00 122.52 ? 60 PHE z C 1 ? ? +49238 ATOM O O . PHE AM 26 60 ? -18.154 60.250 27.967 1.00 123.30 ? 60 PHE z O 1 ? ? +49239 ATOM N N . VAL AM 26 61 ? -18.351 61.809 26.350 1.00 121.79 ? 61 VAL z N 1 ? ? +49240 ATOM C CA . VAL AM 26 61 ? -17.066 61.627 25.687 1.00 121.57 ? 61 VAL z CA 1 ? ? +49241 ATOM C CB . VAL AM 26 61 ? -15.871 61.167 26.592 1.00 121.58 ? 61 VAL z CB 1 ? ? +49242 ATOM C CG1 . VAL AM 26 61 ? -15.845 61.919 27.922 1.00 122.60 ? 61 VAL z CG1 1 ? ? +49243 ATOM C CG2 . VAL AM 26 61 ? -15.846 59.652 26.803 1.00 120.65 ? 61 VAL z CG2 1 ? ? +49244 ATOM C C . VAL AM 26 61 ? -17.198 60.705 24.470 1.00 120.59 ? 61 VAL z C 1 ? ? +49245 ATOM O O . VAL AM 26 61 ? -16.320 60.727 23.610 1.00 120.52 ? 61 VAL z O 1 ? ? +49246 ATOM N N . VAL AM 26 62 ? -18.267 59.893 24.413 1.00 120.47 ? 62 VAL z N 1 ? ? +49247 ATOM C CA . VAL AM 26 62 ? -18.557 59.057 23.257 1.00 120.31 ? 62 VAL z CA 1 ? ? +49248 ATOM C CB . VAL AM 26 62 ? -18.618 57.547 23.614 1.00 120.30 ? 62 VAL z CB 1 ? ? +49249 ATOM C CG1 . VAL AM 26 62 ? -19.517 56.759 22.664 1.00 119.66 ? 62 VAL z CG1 1 ? ? +49250 ATOM C CG2 . VAL AM 26 62 ? -17.224 56.929 23.672 1.00 120.15 ? 62 VAL z CG2 1 ? ? +49251 ATOM C C . VAL AM 26 62 ? -19.857 59.526 22.650 1.00 121.85 ? 62 VAL z C 1 ? ? +49252 ATOM O O . VAL AM 26 62 ? -19.829 60.055 21.553 1.00 122.87 ? 62 VAL z O 1 ? ? +49253 ATOM O OXT . VAL AM 26 62 ? -20.930 59.388 23.245 1.00 121.49 ? 62 VAL z OXT 1 ? ? +49254 HETATM C C2 A PL9 AN 28 . ? 18.412 -64.415 -26.089 0.40 113.42 ? 414 PL9 A C2 1 ? ? +49255 HETATM C C2 B PL9 AN 28 . ? 18.312 -64.439 -26.000 0.60 79.51 ? 414 PL9 A C2 1 ? ? +49256 HETATM C C3 A PL9 AN 28 . ? 18.783 -63.097 -25.942 0.40 112.64 ? 414 PL9 A C3 1 ? ? +49257 HETATM C C3 B PL9 AN 28 . ? 18.808 -63.148 -25.904 0.60 79.10 ? 414 PL9 A C3 1 ? ? +49258 HETATM C C4 A PL9 AN 28 . ? 19.371 -62.664 -24.719 0.40 111.51 ? 414 PL9 A C4 1 ? ? +49259 HETATM C C4 B PL9 AN 28 . ? 19.416 -62.722 -24.680 0.60 76.99 ? 414 PL9 A C4 1 ? ? +49260 HETATM C C5 A PL9 AN 28 . ? 19.571 -63.623 -23.596 0.40 112.55 ? 414 PL9 A C5 1 ? ? +49261 HETATM C C5 B PL9 AN 28 . ? 19.524 -63.653 -23.515 0.60 77.72 ? 414 PL9 A C5 1 ? ? +49262 HETATM C C6 A PL9 AN 28 . ? 19.177 -64.941 -23.738 0.40 113.54 ? 414 PL9 A C6 1 ? ? +49263 HETATM C C6 B PL9 AN 28 . ? 18.996 -64.939 -23.608 0.60 78.87 ? 414 PL9 A C6 1 ? ? +49264 HETATM C C1 A PL9 AN 28 . ? 18.579 -65.388 -25.017 0.40 114.08 ? 414 PL9 A C1 1 ? ? +49265 HETATM C C1 B PL9 AN 28 . ? 18.376 -65.380 -24.890 0.60 79.66 ? 414 PL9 A C1 1 ? ? +49266 HETATM C C7 A PL9 AN 28 . ? 18.569 -62.116 -27.073 0.40 112.00 ? 414 PL9 A C7 1 ? ? +49267 HETATM C C7 B PL9 AN 28 . ? 18.668 -62.170 -27.053 0.60 80.42 ? 414 PL9 A C7 1 ? ? +49268 HETATM C C8 A PL9 AN 28 . ? 18.448 -62.782 -28.415 0.40 112.67 ? 414 PL9 A C8 1 ? ? +49269 HETATM C C8 B PL9 AN 28 . ? 18.513 -62.819 -28.402 0.60 83.31 ? 414 PL9 A C8 1 ? ? +49270 HETATM C C9 A PL9 AN 28 . ? 19.065 -62.439 -29.532 0.40 113.91 ? 414 PL9 A C9 1 ? ? +49271 HETATM C C9 B PL9 AN 28 . ? 19.113 -62.478 -29.532 0.60 87.33 ? 414 PL9 A C9 1 ? ? +49272 HETATM C C10 A PL9 AN 28 . ? 19.924 -61.214 -29.635 0.40 114.82 ? 414 PL9 A C10 1 ? ? +49273 HETATM C C10 B PL9 AN 28 . ? 19.987 -61.263 -29.636 0.60 84.56 ? 414 PL9 A C10 1 ? ? +49274 HETATM C C11 A PL9 AN 28 . ? 18.998 -63.287 -30.771 0.40 113.69 ? 414 PL9 A C11 1 ? ? +49275 HETATM C C11 B PL9 AN 28 . ? 19.027 -63.303 -30.789 0.60 90.92 ? 414 PL9 A C11 1 ? ? +49276 HETATM C C12 A PL9 AN 28 . ? 17.849 -64.271 -30.788 0.40 113.05 ? 414 PL9 A C12 1 ? ? +49277 HETATM C C12 B PL9 AN 28 . ? 18.027 -64.445 -30.810 0.60 93.60 ? 414 PL9 A C12 1 ? ? +49278 HETATM C C13 A PL9 AN 28 . ? 16.954 -64.041 -31.965 0.40 112.46 ? 414 PL9 A C13 1 ? ? +49279 HETATM C C13 B PL9 AN 28 . ? 16.981 -64.256 -31.864 0.60 97.00 ? 414 PL9 A C13 1 ? ? +49280 HETATM C C14 A PL9 AN 28 . ? 16.414 -64.944 -32.778 0.40 110.79 ? 414 PL9 A C14 1 ? ? +49281 HETATM C C14 B PL9 AN 28 . ? 16.884 -64.852 -33.051 0.60 99.66 ? 414 PL9 A C14 1 ? ? +49282 HETATM C C15 A PL9 AN 28 . ? 16.573 -66.424 -32.606 0.40 111.11 ? 414 PL9 A C15 1 ? ? +49283 HETATM C C15 B PL9 AN 28 . ? 17.918 -65.800 -33.602 0.60 98.44 ? 414 PL9 A C15 1 ? ? +49284 HETATM C C16 A PL9 AN 28 . ? 15.607 -64.522 -33.972 0.40 108.45 ? 414 PL9 A C16 1 ? ? +49285 HETATM C C16 B PL9 AN 28 . ? 15.696 -64.591 -33.938 0.60 100.81 ? 414 PL9 A C16 1 ? ? +49286 HETATM C C17 A PL9 AN 28 . ? 15.002 -65.688 -34.716 0.40 107.61 ? 414 PL9 A C17 1 ? ? +49287 HETATM C C17 B PL9 AN 28 . ? 15.072 -65.828 -34.551 0.60 102.50 ? 414 PL9 A C17 1 ? ? +49288 HETATM C C18 A PL9 AN 28 . ? 13.530 -65.784 -34.476 0.40 105.65 ? 414 PL9 A C18 1 ? ? +49289 HETATM C C18 B PL9 AN 28 . ? 13.586 -65.880 -34.374 0.60 102.67 ? 414 PL9 A C18 1 ? ? +49290 HETATM C C19 A PL9 AN 28 . ? 12.603 -66.338 -35.252 0.40 103.67 ? 414 PL9 A C19 1 ? ? +49291 HETATM C C19 B PL9 AN 28 . ? 12.646 -65.758 -35.306 0.60 102.67 ? 414 PL9 A C19 1 ? ? +49292 HETATM C C20 A PL9 AN 28 . ? 12.905 -67.082 -36.519 0.40 104.09 ? 414 PL9 A C20 1 ? ? +49293 HETATM C C20 B PL9 AN 28 . ? 12.949 -65.471 -36.751 0.60 104.83 ? 414 PL9 A C20 1 ? ? +49294 HETATM C C21 A PL9 AN 28 . ? 11.146 -66.219 -34.912 0.40 100.81 ? 414 PL9 A C21 1 ? ? +49295 HETATM C C21 B PL9 AN 28 . ? 11.190 -65.930 -34.967 0.60 100.00 ? 414 PL9 A C21 1 ? ? +49296 HETATM C C22 A PL9 AN 28 . ? 10.335 -65.559 -36.001 0.40 98.91 ? 414 PL9 A C22 1 ? ? +49297 HETATM C C22 B PL9 AN 28 . ? 10.273 -65.530 -36.097 0.60 98.50 ? 414 PL9 A C22 1 ? ? +49298 HETATM C C23 A PL9 AN 28 . ? 8.866 -65.720 -35.770 0.40 98.03 ? 414 PL9 A C23 1 ? ? +49299 HETATM C C23 B PL9 AN 28 . ? 8.820 -65.749 -35.831 0.60 98.60 ? 414 PL9 A C23 1 ? ? +49300 HETATM C C24 A PL9 AN 28 . ? 7.874 -65.465 -36.615 0.40 96.20 ? 414 PL9 A C24 1 ? ? +49301 HETATM C C24 B PL9 AN 28 . ? 7.824 -65.602 -36.697 0.60 98.04 ? 414 PL9 A C24 1 ? ? +49302 HETATM C C25 A PL9 AN 28 . ? 8.076 -64.900 -37.989 0.40 96.63 ? 414 PL9 A C25 1 ? ? +49303 HETATM C C25 B PL9 AN 28 . ? 8.030 -65.171 -38.118 0.60 97.71 ? 414 PL9 A C25 1 ? ? +49304 HETATM C C26 A PL9 AN 28 . ? 6.449 -65.769 -36.256 0.40 95.19 ? 414 PL9 A C26 1 ? ? +49305 HETATM C C26 B PL9 AN 28 . ? 6.397 -65.870 -36.311 0.60 98.49 ? 414 PL9 A C26 1 ? ? +49306 HETATM C C27 A PL9 AN 28 . ? 5.702 -66.382 -37.417 0.40 93.73 ? 414 PL9 A C27 1 ? ? +49307 HETATM C C27 B PL9 AN 28 . ? 5.557 -66.338 -37.479 0.60 98.10 ? 414 PL9 A C27 1 ? ? +49308 HETATM C C28 A PL9 AN 28 . ? 4.330 -66.848 -37.054 0.40 92.45 ? 414 PL9 A C28 1 ? ? +49309 HETATM C C28 B PL9 AN 28 . ? 4.243 -66.901 -37.056 0.60 98.45 ? 414 PL9 A C28 1 ? ? +49310 HETATM C C29 A PL9 AN 28 . ? 3.741 -67.971 -37.445 0.40 91.92 ? 414 PL9 A C29 1 ? ? +49311 HETATM C C29 B PL9 AN 28 . ? 3.597 -67.924 -37.602 0.60 100.12 ? 414 PL9 A C29 1 ? ? +49312 HETATM C C30 A PL9 AN 28 . ? 4.399 -68.964 -38.351 0.40 92.83 ? 414 PL9 A C30 1 ? ? +49313 HETATM C C30 B PL9 AN 28 . ? 4.122 -68.682 -38.785 0.60 102.90 ? 414 PL9 A C30 1 ? ? +49314 HETATM C C31 A PL9 AN 28 . ? 2.369 -68.359 -36.975 0.40 91.36 ? 414 PL9 A C31 1 ? ? +49315 HETATM C C31 B PL9 AN 28 . ? 2.278 -68.402 -37.063 0.60 100.51 ? 414 PL9 A C31 1 ? ? +49316 HETATM C C32 A PL9 AN 28 . ? 2.276 -69.864 -36.950 0.40 91.62 ? 414 PL9 A C32 1 ? ? +49317 HETATM C C32 B PL9 AN 28 . ? 2.231 -69.910 -36.951 0.60 101.48 ? 414 PL9 A C32 1 ? ? +49318 HETATM C C33 A PL9 AN 28 . ? 0.925 -70.428 -36.654 0.40 91.15 ? 414 PL9 A C33 1 ? ? +49319 HETATM C C33 B PL9 AN 28 . ? 0.884 -70.476 -36.628 0.60 101.29 ? 414 PL9 A C33 1 ? ? +49320 HETATM C C34 A PL9 AN 28 . ? 0.454 -71.604 -37.052 0.40 90.73 ? 414 PL9 A C34 1 ? ? +49321 HETATM C C34 B PL9 AN 28 . ? 0.374 -71.628 -37.050 0.60 101.83 ? 414 PL9 A C34 1 ? ? +49322 HETATM C C35 A PL9 AN 28 . ? 1.154 -72.460 -38.060 0.40 91.20 ? 414 PL9 A C35 1 ? ? +49323 HETATM C C35 B PL9 AN 28 . ? 1.005 -72.467 -38.120 0.60 103.25 ? 414 PL9 A C35 1 ? ? +49324 HETATM C C36 A PL9 AN 28 . ? -0.759 -72.223 -36.421 0.40 90.66 ? 414 PL9 A C36 1 ? ? +49325 HETATM C C36 B PL9 AN 28 . ? -0.829 -72.238 -36.389 0.60 102.48 ? 414 PL9 A C36 1 ? ? +49326 HETATM C C37 A PL9 AN 28 . ? -0.352 -73.118 -35.271 0.40 90.66 ? 414 PL9 A C37 1 ? ? +49327 HETATM C C37 B PL9 AN 28 . ? -0.408 -73.119 -35.233 0.60 102.95 ? 414 PL9 A C37 1 ? ? +49328 HETATM C C38 A PL9 AN 28 . ? -1.498 -73.596 -34.440 0.40 91.25 ? 414 PL9 A C38 1 ? ? +49329 HETATM C C38 B PL9 AN 28 . ? -1.554 -73.580 -34.388 0.60 104.46 ? 414 PL9 A C38 1 ? ? +49330 HETATM C C39 A PL9 AN 28 . ? -1.490 -73.876 -33.140 0.40 91.29 ? 414 PL9 A C39 1 ? ? +49331 HETATM C C39 B PL9 AN 28 . ? -1.532 -73.921 -33.102 0.60 105.31 ? 414 PL9 A C39 1 ? ? +49332 HETATM C C40 A PL9 AN 28 . ? -0.268 -73.748 -32.281 0.40 90.22 ? 414 PL9 A C40 1 ? ? +49333 HETATM C C40 B PL9 AN 28 . ? -0.286 -73.886 -32.263 0.60 102.81 ? 414 PL9 A C40 1 ? ? +49334 HETATM C C41 A PL9 AN 28 . ? -2.734 -74.330 -32.428 0.40 91.90 ? 414 PL9 A C41 1 ? ? +49335 HETATM C C41 B PL9 AN 28 . ? -2.779 -74.374 -32.390 0.60 106.80 ? 414 PL9 A C41 1 ? ? +49336 HETATM C C42 A PL9 AN 28 . ? -3.242 -73.317 -31.423 0.40 91.34 ? 414 PL9 A C42 1 ? ? +49337 HETATM C C42 B PL9 AN 28 . ? -3.310 -73.384 -31.365 0.60 106.67 ? 414 PL9 A C42 1 ? ? +49338 HETATM C C43 A PL9 AN 28 . ? -4.301 -72.435 -32.006 0.40 90.85 ? 414 PL9 A C43 1 ? ? +49339 HETATM C C43 B PL9 AN 28 . ? -4.344 -72.466 -31.943 0.60 106.43 ? 414 PL9 A C43 1 ? ? +49340 HETATM C C44 A PL9 AN 28 . ? -5.458 -72.072 -31.462 0.40 91.04 ? 414 PL9 A C44 1 ? ? +49341 HETATM C C44 B PL9 AN 28 . ? -5.585 -72.243 -31.515 0.60 107.48 ? 414 PL9 A C44 1 ? ? +49342 HETATM C C45 A PL9 AN 28 . ? -5.865 -72.420 -30.063 0.40 91.26 ? 414 PL9 A C45 1 ? ? +49343 HETATM C C45 B PL9 AN 28 . ? -6.123 -72.770 -30.220 0.60 106.59 ? 414 PL9 A C45 1 ? ? +49344 HETATM C C46 A PL9 AN 28 . ? -6.479 -71.311 -32.260 0.40 91.16 ? 414 PL9 A C46 1 ? ? +49345 HETATM C C46 B PL9 AN 28 . ? -6.574 -71.466 -32.343 0.60 108.56 ? 414 PL9 A C46 1 ? ? +49346 HETATM C C47 A PL9 AN 28 . ? -6.244 -71.427 -33.753 0.40 91.15 ? 414 PL9 A C47 1 ? ? +49347 HETATM C C47 B PL9 AN 28 . ? -6.305 -71.511 -33.841 0.60 109.29 ? 414 PL9 A C47 1 ? ? +49348 HETATM C C48 A PL9 AN 28 . ? -7.503 -71.394 -34.565 0.40 91.88 ? 414 PL9 A C48 1 ? ? +49349 HETATM C C48 B PL9 AN 28 . ? -7.538 -71.445 -34.693 0.60 110.38 ? 414 PL9 A C48 1 ? ? +49350 HETATM C C49 A PL9 AN 28 . ? -7.621 -71.382 -35.885 0.40 92.49 ? 414 PL9 A C49 1 ? ? +49351 HETATM C C49 B PL9 AN 28 . ? -7.620 -71.469 -36.018 0.60 111.35 ? 414 PL9 A C49 1 ? ? +49352 HETATM C C50 A PL9 AN 28 . ? -8.950 -71.337 -36.577 0.40 92.02 ? 414 PL9 A C50 1 ? ? +49353 HETATM C C50 B PL9 AN 28 . ? -8.929 -71.399 -36.743 0.60 109.01 ? 414 PL9 A C50 1 ? ? +49354 HETATM C C51 A PL9 AN 28 . ? -6.432 -71.404 -36.809 0.40 91.77 ? 414 PL9 A C51 1 ? ? +49355 HETATM C C51 B PL9 AN 28 . ? -6.413 -71.555 -36.917 0.60 109.51 ? 414 PL9 A C51 1 ? ? +49356 HETATM C C52 A PL9 AN 28 . ? 20.192 -63.101 -22.340 0.40 111.02 ? 414 PL9 A C52 1 ? ? +49357 HETATM C C52 B PL9 AN 28 . ? 20.172 -63.131 -22.270 0.60 76.29 ? 414 PL9 A C52 1 ? ? +49358 HETATM C C53 A PL9 AN 28 . ? 19.335 -65.940 -22.638 0.40 113.33 ? 414 PL9 A C53 1 ? ? +49359 HETATM C C53 B PL9 AN 28 . ? 19.017 -65.897 -22.459 0.60 78.68 ? 414 PL9 A C53 1 ? ? +49360 HETATM O O1 A PL9 AN 28 . ? 19.714 -61.495 -24.578 0.40 108.84 ? 414 PL9 A O1 1 ? ? +49361 HETATM O O1 B PL9 AN 28 . ? 19.827 -61.572 -24.568 0.60 74.22 ? 414 PL9 A O1 1 ? ? +49362 HETATM O O2 A PL9 AN 28 . ? 18.224 -66.560 -25.181 0.40 115.16 ? 414 PL9 A O2 1 ? ? +49363 HETATM O O2 B PL9 AN 28 . ? 17.908 -66.514 -25.021 0.60 80.14 ? 414 PL9 A O2 1 ? ? +49364 HETATM O O6 . SQD AO 29 . ? 4.994 -26.577 4.744 1.00 105.43 ? 620 SQD B O6 1 ? ? +49365 HETATM C C44 . SQD AO 29 . ? 4.374 -27.138 3.566 1.00 102.46 ? 620 SQD B C44 1 ? ? +49366 HETATM C C45 . SQD AO 29 . ? 4.964 -26.649 2.235 1.00 99.13 ? 620 SQD B C45 1 ? ? +49367 HETATM C C46 . SQD AO 29 . ? 6.462 -26.414 2.281 1.00 95.92 ? 620 SQD B C46 1 ? ? +49368 HETATM O O47 . SQD AO 29 . ? 4.658 -27.737 1.311 1.00 99.47 ? 620 SQD B O47 1 ? ? +49369 HETATM C C7 . SQD AO 29 . ? 4.765 -27.613 -0.034 1.00 94.38 ? 620 SQD B C7 1 ? ? +49370 HETATM O O49 . SQD AO 29 . ? 4.644 -28.591 -0.723 1.00 98.89 ? 620 SQD B O49 1 ? ? +49371 HETATM C C8 . SQD AO 29 . ? 5.054 -26.319 -0.732 1.00 88.23 ? 620 SQD B C8 1 ? ? +49372 HETATM C C9 . SQD AO 29 . ? 6.113 -26.469 -1.790 1.00 84.12 ? 620 SQD B C9 1 ? ? +49373 HETATM C C10 . SQD AO 29 . ? 5.579 -26.343 -3.210 1.00 80.83 ? 620 SQD B C10 1 ? ? +49374 HETATM C C11 . SQD AO 29 . ? 6.231 -25.253 -4.024 1.00 78.75 ? 620 SQD B C11 1 ? ? +49375 HETATM C C12 . SQD AO 29 . ? 5.310 -24.604 -5.023 1.00 78.10 ? 620 SQD B C12 1 ? ? +49376 HETATM C C13 . SQD AO 29 . ? 5.996 -23.725 -6.038 1.00 78.01 ? 620 SQD B C13 1 ? ? +49377 HETATM C C14 . SQD AO 29 . ? 5.145 -23.354 -7.228 1.00 77.84 ? 620 SQD B C14 1 ? ? +49378 HETATM C C15 . SQD AO 29 . ? 3.784 -22.812 -6.857 1.00 79.69 ? 620 SQD B C15 1 ? ? +49379 HETATM C C16 . SQD AO 29 . ? 2.962 -22.308 -8.020 1.00 80.00 ? 620 SQD B C16 1 ? ? +49380 HETATM C C17 . SQD AO 29 . ? 1.513 -22.086 -7.677 1.00 80.45 ? 620 SQD B C17 1 ? ? +49381 HETATM C C18 . SQD AO 29 . ? 0.642 -21.726 -8.858 1.00 80.40 ? 620 SQD B C18 1 ? ? +49382 HETATM C C19 . SQD AO 29 . ? -0.831 -21.969 -8.629 1.00 79.53 ? 620 SQD B C19 1 ? ? +49383 HETATM C C20 . SQD AO 29 . ? -1.674 -21.877 -9.873 1.00 78.70 ? 620 SQD B C20 1 ? ? +49384 HETATM C C21 . SQD AO 29 . ? -3.118 -22.279 -9.665 1.00 77.35 ? 620 SQD B C21 1 ? ? +49385 HETATM C C22 . SQD AO 29 . ? -3.907 -21.303 -8.821 1.00 77.53 ? 620 SQD B C22 1 ? ? +49386 HETATM O O48 . SQD AO 29 . ? 6.795 -25.116 1.739 1.00 91.99 ? 620 SQD B O48 1 ? ? +49387 HETATM C C23 . SQD AO 29 . ? 8.043 -24.711 1.954 1.00 89.61 ? 620 SQD B C23 1 ? ? +49388 HETATM O O10 . SQD AO 29 . ? 8.828 -25.331 2.619 1.00 96.09 ? 620 SQD B O10 1 ? ? +49389 HETATM C C24 . SQD AO 29 . ? 8.355 -23.410 1.266 1.00 86.11 ? 620 SQD B C24 1 ? ? +49390 HETATM C C25 . SQD AO 29 . ? 8.677 -23.566 -0.185 1.00 83.47 ? 620 SQD B C25 1 ? ? +49391 HETATM C C26 . SQD AO 29 . ? 9.027 -22.250 -0.868 1.00 83.78 ? 620 SQD B C26 1 ? ? +49392 HETATM C C27 . SQD AO 29 . ? 8.101 -21.901 -2.007 1.00 85.09 ? 620 SQD B C27 1 ? ? +49393 HETATM C C28 . SQD AO 29 . ? 8.437 -20.649 -2.791 1.00 84.87 ? 620 SQD B C28 1 ? ? +49394 HETATM C C29 . SQD AO 29 . ? 7.400 -20.358 -3.852 1.00 87.20 ? 620 SQD B C29 1 ? ? +49395 HETATM C C30 . SQD AO 29 . ? 7.446 -18.986 -4.479 1.00 87.24 ? 620 SQD B C30 1 ? ? +49396 HETATM C C31 . SQD AO 29 . ? 6.350 -18.769 -5.520 1.00 86.38 ? 620 SQD B C31 1 ? ? +49397 HETATM C C32 . SQD AO 29 . ? 6.722 -17.902 -6.701 1.00 86.90 ? 620 SQD B C32 1 ? ? +49398 HETATM C C33 . SQD AO 29 . ? 8.197 -17.882 -7.035 1.00 89.64 ? 620 SQD B C33 1 ? ? +49399 HETATM C C34 . SQD AO 29 . ? 8.524 -17.375 -8.418 1.00 91.77 ? 620 SQD B C34 1 ? ? +49400 HETATM C C35 . SQD AO 29 . ? 9.933 -17.682 -8.875 1.00 93.02 ? 620 SQD B C35 1 ? ? +49401 HETATM C C36 . SQD AO 29 . ? 10.068 -17.965 -10.354 1.00 94.66 ? 620 SQD B C36 1 ? ? +49402 HETATM C C37 . SQD AO 29 . ? 10.954 -19.141 -10.676 1.00 98.23 ? 620 SQD B C37 1 ? ? +49403 HETATM C C38 . SQD AO 29 . ? 10.329 -20.480 -10.348 1.00 99.09 ? 620 SQD B C38 1 ? ? +49404 HETATM C C1 . SQD AO 29 . ? 6.037 -27.340 5.293 1.00 104.23 ? 620 SQD B C1 1 ? ? +49405 HETATM C C2 . SQD AO 29 . ? 6.367 -26.866 6.694 1.00 102.81 ? 620 SQD B C2 1 ? ? +49406 HETATM O O2 . SQD AO 29 . ? 6.632 -25.467 6.690 1.00 99.32 ? 620 SQD B O2 1 ? ? +49407 HETATM C C3 . SQD AO 29 . ? 7.543 -27.682 7.246 1.00 102.52 ? 620 SQD B C3 1 ? ? +49408 HETATM O O3 . SQD AO 29 . ? 7.284 -27.927 8.628 1.00 106.24 ? 620 SQD B O3 1 ? ? +49409 HETATM C C4 . SQD AO 29 . ? 7.843 -29.026 6.532 1.00 101.67 ? 620 SQD B C4 1 ? ? +49410 HETATM O O4 . SQD AO 29 . ? 9.081 -28.888 5.849 1.00 99.12 ? 620 SQD B O4 1 ? ? +49411 HETATM C C5 . SQD AO 29 . ? 6.820 -29.529 5.469 1.00 102.50 ? 620 SQD B C5 1 ? ? +49412 HETATM C C6 . SQD AO 29 . ? 6.321 -30.947 5.689 1.00 100.60 ? 620 SQD B C6 1 ? ? +49413 HETATM O O5 . SQD AO 29 . ? 5.660 -28.689 5.396 1.00 104.73 ? 620 SQD B O5 1 ? ? +49414 HETATM S S . SQD AO 29 . ? 5.304 -31.624 4.398 1.00 96.47 ? 620 SQD B S 1 ? ? +49415 HETATM O O7 . SQD AO 29 . ? 6.070 -31.673 3.191 1.00 95.03 ? 620 SQD B O7 1 ? ? +49416 HETATM O O8 . SQD AO 29 . ? 5.041 -33.059 4.938 1.00 91.96 ? 620 SQD B O8 1 ? ? +49417 HETATM O O9 . SQD AO 29 . ? 4.098 -30.866 4.365 1.00 95.22 ? 620 SQD B O9 1 ? ? +49418 HETATM C C1 . BCR AP 30 . ? 47.444 -79.151 -77.092 1.00 69.19 ? 515 BCR C C1 1 ? ? +49419 HETATM C C2 . BCR AP 30 . ? 46.274 -79.120 -78.077 1.00 68.99 ? 515 BCR C C2 1 ? ? +49420 HETATM C C3 . BCR AP 30 . ? 44.942 -79.228 -77.422 1.00 68.38 ? 515 BCR C C3 1 ? ? +49421 HETATM C C4 . BCR AP 30 . ? 44.832 -80.492 -76.581 1.00 68.62 ? 515 BCR C C4 1 ? ? +49422 HETATM C C5 . BCR AP 30 . ? 46.046 -80.774 -75.741 1.00 68.99 ? 515 BCR C C5 1 ? ? +49423 HETATM C C6 . BCR AP 30 . ? 47.232 -80.154 -75.966 1.00 69.29 ? 515 BCR C C6 1 ? ? +49424 HETATM C C7 . BCR AP 30 . ? 48.421 -80.438 -75.200 1.00 69.79 ? 515 BCR C C7 1 ? ? +49425 HETATM C C8 . BCR AP 30 . ? 48.512 -80.668 -73.868 1.00 69.82 ? 515 BCR C C8 1 ? ? +49426 HETATM C C9 . BCR AP 30 . ? 49.674 -81.003 -73.172 1.00 70.54 ? 515 BCR C C9 1 ? ? +49427 HETATM C C10 . BCR AP 30 . ? 49.757 -80.718 -71.803 1.00 70.30 ? 515 BCR C C10 1 ? ? +49428 HETATM C C11 . BCR AP 30 . ? 50.830 -80.852 -70.958 1.00 70.78 ? 515 BCR C C11 1 ? ? +49429 HETATM C C33 . BCR AP 30 . ? 45.784 -81.821 -74.690 1.00 68.98 ? 515 BCR C C33 1 ? ? +49430 HETATM C C31 . BCR AP 30 . ? 47.584 -77.741 -76.494 1.00 68.55 ? 515 BCR C C31 1 ? ? +49431 HETATM C C32 . BCR AP 30 . ? 48.722 -79.457 -77.891 1.00 69.99 ? 515 BCR C C32 1 ? ? +49432 HETATM C C34 . BCR AP 30 . ? 50.832 -81.708 -73.800 1.00 71.46 ? 515 BCR C C34 1 ? ? +49433 HETATM C C12 . BCR AP 30 . ? 50.873 -80.455 -69.637 1.00 70.50 ? 515 BCR C C12 1 ? ? +49434 HETATM C C13 . BCR AP 30 . ? 51.926 -80.572 -68.707 1.00 70.84 ? 515 BCR C C13 1 ? ? +49435 HETATM C C14 . BCR AP 30 . ? 51.782 -80.134 -67.382 1.00 70.27 ? 515 BCR C C14 1 ? ? +49436 HETATM C C15 . BCR AP 30 . ? 52.651 -80.289 -66.324 1.00 70.51 ? 515 BCR C C15 1 ? ? +49437 HETATM C C16 . BCR AP 30 . ? 52.553 -79.868 -65.022 1.00 69.92 ? 515 BCR C C16 1 ? ? +49438 HETATM C C17 . BCR AP 30 . ? 53.412 -80.100 -63.982 1.00 70.17 ? 515 BCR C C17 1 ? ? +49439 HETATM C C18 . BCR AP 30 . ? 53.363 -79.615 -62.672 1.00 69.76 ? 515 BCR C C18 1 ? ? +49440 HETATM C C19 . BCR AP 30 . ? 54.379 -79.891 -61.748 1.00 70.26 ? 515 BCR C C19 1 ? ? +49441 HETATM C C20 . BCR AP 30 . ? 54.553 -79.378 -60.490 1.00 69.96 ? 515 BCR C C20 1 ? ? +49442 HETATM C C21 . BCR AP 30 . ? 55.554 -79.714 -59.634 1.00 70.59 ? 515 BCR C C21 1 ? ? +49443 HETATM C C22 . BCR AP 30 . ? 55.894 -79.138 -58.416 1.00 70.44 ? 515 BCR C C22 1 ? ? +49444 HETATM C C23 . BCR AP 30 . ? 56.955 -79.664 -57.690 1.00 71.30 ? 515 BCR C C23 1 ? ? +49445 HETATM C C24 . BCR AP 30 . ? 57.572 -79.051 -56.657 1.00 71.43 ? 515 BCR C C24 1 ? ? +49446 HETATM C C25 . BCR AP 30 . ? 58.688 -79.535 -55.894 1.00 72.33 ? 515 BCR C C25 1 ? ? +49447 HETATM C C26 . BCR AP 30 . ? 58.877 -80.843 -55.622 1.00 73.10 ? 515 BCR C C26 1 ? ? +49448 HETATM C C27 . BCR AP 30 . ? 60.145 -81.336 -54.983 1.00 74.14 ? 515 BCR C C27 1 ? ? +49449 HETATM C C28 . BCR AP 30 . ? 61.318 -80.369 -55.117 1.00 74.36 ? 515 BCR C C28 1 ? ? +49450 HETATM C C29 . BCR AP 30 . ? 60.894 -78.992 -54.759 1.00 73.47 ? 515 BCR C C29 1 ? ? +49451 HETATM C C30 . BCR AP 30 . ? 59.741 -78.474 -55.621 1.00 72.59 ? 515 BCR C C30 1 ? ? +49452 HETATM C C35 . BCR AP 30 . ? 53.229 -81.165 -69.144 1.00 71.69 ? 515 BCR C C35 1 ? ? +49453 HETATM C C36 . BCR AP 30 . ? 52.195 -78.787 -62.240 1.00 68.74 ? 515 BCR C C36 1 ? ? +49454 HETATM C C37 . BCR AP 30 . ? 55.094 -77.985 -57.955 1.00 69.29 ? 515 BCR C C37 1 ? ? +49455 HETATM C C38 . BCR AP 30 . ? 57.901 -81.946 -55.924 1.00 73.10 ? 515 BCR C C38 1 ? ? +49456 HETATM C C39 . BCR AP 30 . ? 60.343 -78.003 -56.956 1.00 72.99 ? 515 BCR C C39 1 ? ? +49457 HETATM C C40 . BCR AP 30 . ? 59.117 -77.255 -54.922 1.00 71.68 ? 515 BCR C C40 1 ? ? +49458 HETATM CA CA . CA AQ 31 . ? 2.644 -64.437 -77.882 1.00 98.11 2 104 CA F CA 1 ? ? +49459 HETATM C CHA A PHO AR 32 . ? 2.657 0.797 8.043 0.40 47.60 ? 406 PHO a CHA 1 ? ? +49460 HETATM C CHA B PHO AR 32 . ? 2.653 0.764 8.054 0.60 47.61 ? 406 PHO a CHA 1 ? ? +49461 HETATM C CHB A PHO AR 32 . ? 3.254 1.668 3.365 0.40 46.20 ? 406 PHO a CHB 1 ? ? +49462 HETATM C CHB B PHO AR 32 . ? 3.246 1.635 3.363 0.60 46.25 ? 406 PHO a CHB 1 ? ? +49463 HETATM C CHC A PHO AR 32 . ? 5.656 5.748 4.556 0.40 46.82 ? 406 PHO a CHC 1 ? ? +49464 HETATM C CHC B PHO AR 32 . ? 5.642 5.723 4.530 0.60 46.86 ? 406 PHO a CHC 1 ? ? +49465 HETATM C CHD A PHO AR 32 . ? 5.241 4.841 9.250 0.40 48.20 ? 406 PHO a CHD 1 ? ? +49466 HETATM C CHD B PHO AR 32 . ? 5.271 4.797 9.227 0.60 48.19 ? 406 PHO a CHD 1 ? ? +49467 HETATM N NA A PHO AR 32 . ? 3.106 1.466 5.810 0.40 46.97 ? 406 PHO a NA 1 ? ? +49468 HETATM N NA B PHO AR 32 . ? 3.091 1.448 5.814 0.60 47.01 ? 406 PHO a NA 1 ? ? +49469 HETATM C C1A A PHO AR 32 . ? 2.555 0.585 6.692 0.40 47.22 ? 406 PHO a C1A 1 ? ? +49470 HETATM C C1A B PHO AR 32 . ? 2.543 0.562 6.695 0.60 47.25 ? 406 PHO a C1A 1 ? ? +49471 HETATM C C2A A PHO AR 32 . ? 1.860 -0.569 6.015 0.40 47.05 ? 406 PHO a C2A 1 ? ? +49472 HETATM C C2A B PHO AR 32 . ? 1.837 -0.578 6.006 0.60 47.10 ? 406 PHO a C2A 1 ? ? +49473 HETATM C C3A A PHO AR 32 . ? 2.291 -0.406 4.559 0.40 46.54 ? 406 PHO a C3A 1 ? ? +49474 HETATM C C3A B PHO AR 32 . ? 2.340 -0.447 4.571 0.60 46.58 ? 406 PHO a C3A 1 ? ? +49475 HETATM C C4A A PHO AR 32 . ? 2.899 0.979 4.539 0.40 46.54 ? 406 PHO a C4A 1 ? ? +49476 HETATM C C4A B PHO AR 32 . ? 2.903 0.953 4.543 0.60 46.59 ? 406 PHO a C4A 1 ? ? +49477 HETATM C CMA A PHO AR 32 . ? 3.279 -1.447 4.045 0.40 46.23 ? 406 PHO a CMA 1 ? ? +49478 HETATM C CMA B PHO AR 32 . ? 3.386 -1.471 4.148 0.60 46.30 ? 406 PHO a CMA 1 ? ? +49479 HETATM C CAA A PHO AR 32 . ? 0.343 -0.541 6.173 0.40 47.37 ? 406 PHO a CAA 1 ? ? +49480 HETATM C CAA B PHO AR 32 . ? 0.317 -0.494 6.094 0.60 47.43 ? 406 PHO a CAA 1 ? ? +49481 HETATM C CBA A PHO AR 32 . ? -0.332 -1.724 5.490 0.40 47.26 ? 406 PHO a CBA 1 ? ? +49482 HETATM C CBA B PHO AR 32 . ? -0.371 -1.717 5.500 0.60 47.37 ? 406 PHO a CBA 1 ? ? +49483 HETATM C CGA A PHO AR 32 . ? -1.791 -1.482 5.232 0.40 47.51 ? 406 PHO a CGA 1 ? ? +49484 HETATM C CGA B PHO AR 32 . ? -1.858 -1.546 5.382 0.60 47.69 ? 406 PHO a CGA 1 ? ? +49485 HETATM O O1A A PHO AR 32 . ? -2.356 -0.434 5.405 0.40 47.74 ? 406 PHO a O1A 1 ? ? +49486 HETATM O O1A B PHO AR 32 . ? -2.473 -0.581 5.761 0.60 47.98 ? 406 PHO a O1A 1 ? ? +49487 HETATM O O2A A PHO AR 32 . ? -2.406 -2.582 4.799 0.40 47.57 ? 406 PHO a O2A 1 ? ? +49488 HETATM O O2A B PHO AR 32 . ? -2.425 -2.628 4.825 0.60 47.76 ? 406 PHO a O2A 1 ? ? +49489 HETATM N NB A PHO AR 32 . ? 4.436 3.614 4.289 0.40 46.52 ? 406 PHO a NB 1 ? ? +49490 HETATM N NB B PHO AR 32 . ? 4.426 3.589 4.262 0.60 46.58 ? 406 PHO a NB 1 ? ? +49491 HETATM C C1B A PHO AR 32 . ? 3.919 2.871 3.246 0.40 46.20 ? 406 PHO a C1B 1 ? ? +49492 HETATM C C1B B PHO AR 32 . ? 3.908 2.841 3.224 0.60 46.28 ? 406 PHO a C1B 1 ? ? +49493 HETATM C C2B A PHO AR 32 . ? 4.190 3.592 2.048 0.40 45.92 ? 406 PHO a C2B 1 ? ? +49494 HETATM C C2B B PHO AR 32 . ? 4.180 3.558 2.019 0.60 46.01 ? 406 PHO a C2B 1 ? ? +49495 HETATM C C3B A PHO AR 32 . ? 4.892 4.756 2.402 0.40 46.13 ? 406 PHO a C3B 1 ? ? +49496 HETATM C C3B B PHO AR 32 . ? 4.902 4.718 2.366 0.60 46.21 ? 406 PHO a C3B 1 ? ? +49497 HETATM C C4B A PHO AR 32 . ? 5.027 4.762 3.805 0.40 46.50 ? 406 PHO a C4B 1 ? ? +49498 HETATM C C4B B PHO AR 32 . ? 5.016 4.735 3.775 0.60 46.56 ? 406 PHO a C4B 1 ? ? +49499 HETATM C CMB A PHO AR 32 . ? 3.811 3.136 0.670 0.40 45.53 ? 406 PHO a CMB 1 ? ? +49500 HETATM C CMB B PHO AR 32 . ? 3.821 3.079 0.643 0.60 45.68 ? 406 PHO a CMB 1 ? ? +49501 HETATM C CAB A PHO AR 32 . ? 5.370 5.817 1.531 0.40 46.04 ? 406 PHO a CAB 1 ? ? +49502 HETATM C CAB B PHO AR 32 . ? 5.389 5.815 1.532 0.60 46.12 ? 406 PHO a CAB 1 ? ? +49503 HETATM C CBB A PHO AR 32 . ? 5.102 5.949 0.268 0.40 45.75 ? 406 PHO a CBB 1 ? ? +49504 HETATM C CBB B PHO AR 32 . ? 4.993 6.140 0.339 0.60 45.89 ? 406 PHO a CBB 1 ? ? +49505 HETATM N NC A PHO AR 32 . ? 5.283 4.955 6.827 0.40 47.41 ? 406 PHO a NC 1 ? ? +49506 HETATM N NC B PHO AR 32 . ? 5.288 4.925 6.801 0.60 47.40 ? 406 PHO a NC 1 ? ? +49507 HETATM C C1C A PHO AR 32 . ? 5.805 5.839 5.925 0.40 47.22 ? 406 PHO a C1C 1 ? ? +49508 HETATM C C1C B PHO AR 32 . ? 5.803 5.811 5.899 0.60 47.24 ? 406 PHO a C1C 1 ? ? +49509 HETATM C C2C A PHO AR 32 . ? 6.566 6.876 6.607 0.40 47.56 ? 406 PHO a C2C 1 ? ? +49510 HETATM C C2C B PHO AR 32 . ? 6.575 6.844 6.577 0.60 47.57 ? 406 PHO a C2C 1 ? ? +49511 HETATM C C3C A PHO AR 32 . ? 6.459 6.629 7.938 0.40 47.96 ? 406 PHO a C3C 1 ? ? +49512 HETATM C C3C B PHO AR 32 . ? 6.500 6.575 7.908 0.60 47.96 ? 406 PHO a C3C 1 ? ? +49513 HETATM C C4C A PHO AR 32 . ? 5.625 5.441 8.058 0.40 47.85 ? 406 PHO a C4C 1 ? ? +49514 HETATM C C4C B PHO AR 32 . ? 5.647 5.401 8.031 0.60 47.86 ? 406 PHO a C4C 1 ? ? +49515 HETATM C CMC A PHO AR 32 . ? 7.325 7.993 5.950 0.40 47.52 ? 406 PHO a CMC 1 ? ? +49516 HETATM C CMC B PHO AR 32 . ? 7.323 7.967 5.915 0.60 47.52 ? 406 PHO a CMC 1 ? ? +49517 HETATM C CAC A PHO AR 32 . ? 7.068 7.402 9.074 0.40 48.44 ? 406 PHO a CAC 1 ? ? +49518 HETATM C CAC B PHO AR 32 . ? 7.155 7.310 9.045 0.60 48.44 ? 406 PHO a CAC 1 ? ? +49519 HETATM C CBC A PHO AR 32 . ? 6.023 8.075 9.953 0.40 48.86 ? 406 PHO a CBC 1 ? ? +49520 HETATM C CBC B PHO AR 32 . ? 6.155 8.051 9.921 0.60 48.89 ? 406 PHO a CBC 1 ? ? +49521 HETATM N ND A PHO AR 32 . ? 4.074 2.988 8.259 0.40 47.76 ? 406 PHO a ND 1 ? ? +49522 HETATM N ND B PHO AR 32 . ? 4.096 2.939 8.260 0.60 47.75 ? 406 PHO a ND 1 ? ? +49523 HETATM C C1D A PHO AR 32 . ? 4.497 3.674 9.377 0.40 48.16 ? 406 PHO a C1D 1 ? ? +49524 HETATM C C1D B PHO AR 32 . ? 4.518 3.638 9.370 0.60 48.15 ? 406 PHO a C1D 1 ? ? +49525 HETATM C C2D A PHO AR 32 . ? 4.046 2.990 10.533 0.40 48.51 ? 406 PHO a C2D 1 ? ? +49526 HETATM C C2D B PHO AR 32 . ? 4.041 2.978 10.534 0.60 48.51 ? 406 PHO a C2D 1 ? ? +49527 HETATM C C3D A PHO AR 32 . ? 3.308 1.856 10.059 0.40 48.29 ? 406 PHO a C3D 1 ? ? +49528 HETATM C C3D B PHO AR 32 . ? 3.296 1.846 10.064 0.60 48.29 ? 406 PHO a C3D 1 ? ? +49529 HETATM C C4D A PHO AR 32 . ? 3.355 1.894 8.668 0.40 47.83 ? 406 PHO a C4D 1 ? ? +49530 HETATM C C4D B PHO AR 32 . ? 3.358 1.860 8.675 0.60 47.83 ? 406 PHO a C4D 1 ? ? +49531 HETATM C CMD A PHO AR 32 . ? 4.291 3.390 11.958 0.40 49.03 ? 406 PHO a CMD 1 ? ? +49532 HETATM C CMD B PHO AR 32 . ? 4.273 3.386 11.960 0.60 49.02 ? 406 PHO a CMD 1 ? ? +49533 HETATM C CAD A PHO AR 32 . ? 2.557 0.658 10.461 0.40 48.40 ? 406 PHO a CAD 1 ? ? +49534 HETATM C CAD B PHO AR 32 . ? 2.529 0.665 10.476 0.60 48.41 ? 406 PHO a CAD 1 ? ? +49535 HETATM O OBD A PHO AR 32 . ? 2.351 0.235 11.580 0.40 48.79 ? 406 PHO a OBD 1 ? ? +49536 HETATM O OBD B PHO AR 32 . ? 2.293 0.276 11.600 0.60 48.81 ? 406 PHO a OBD 1 ? ? +49537 HETATM C CBD A PHO AR 32 . ? 2.032 -0.014 9.173 0.40 47.96 ? 406 PHO a CBD 1 ? ? +49538 HETATM C CBD B PHO AR 32 . ? 2.042 -0.049 9.195 0.60 47.96 ? 406 PHO a CBD 1 ? ? +49539 HETATM C CGD A PHO AR 32 . ? 2.358 -1.486 9.131 0.40 47.82 ? 406 PHO a CGD 1 ? ? +49540 HETATM C CGD B PHO AR 32 . ? 2.386 -1.521 9.226 0.60 47.86 ? 406 PHO a CGD 1 ? ? +49541 HETATM O O1D A PHO AR 32 . ? 1.538 -2.362 9.127 0.40 47.84 ? 406 PHO a O1D 1 ? ? +49542 HETATM O O1D B PHO AR 32 . ? 1.589 -2.398 9.419 0.60 47.93 ? 406 PHO a O1D 1 ? ? +49543 HETATM O O2D A PHO AR 32 . ? 3.669 -1.710 9.099 0.40 47.72 ? 406 PHO a O2D 1 ? ? +49544 HETATM O O2D B PHO AR 32 . ? 3.683 -1.741 9.020 0.60 47.70 ? 406 PHO a O2D 1 ? ? +49545 HETATM C CED A PHO AR 32 . ? 4.073 -3.100 9.050 0.40 47.59 ? 406 PHO a CED 1 ? ? +49546 HETATM C CED B PHO AR 32 . ? 4.116 -3.124 9.036 0.60 47.59 ? 406 PHO a CED 1 ? ? +49547 HETATM C C1 A PHO AR 32 . ? -3.799 -2.438 4.454 0.40 47.83 ? 406 PHO a C1 1 ? ? +49548 HETATM C C1 B PHO AR 32 . ? -3.832 -2.570 4.498 0.60 48.06 ? 406 PHO a C1 1 ? ? +49549 HETATM C C2 A PHO AR 32 . ? -3.947 -2.509 2.968 0.40 47.53 ? 406 PHO a C2 1 ? ? +49550 HETATM C C2 B PHO AR 32 . ? -3.992 -2.626 3.009 0.60 47.81 ? 406 PHO a C2 1 ? ? +49551 HETATM C C3 A PHO AR 32 . ? -3.559 -3.546 2.231 0.40 47.33 ? 406 PHO a C3 1 ? ? +49552 HETATM C C3 B PHO AR 32 . ? -3.604 -3.630 2.221 0.60 47.63 ? 406 PHO a C3 1 ? ? +49553 HETATM C C4 A PHO AR 32 . ? -3.019 -4.814 2.824 0.40 47.29 ? 406 PHO a C4 1 ? ? +49554 HETATM C C4 B PHO AR 32 . ? -3.064 -4.929 2.754 0.60 47.58 ? 406 PHO a C4 1 ? ? +49555 HETATM C C5 A PHO AR 32 . ? -3.612 -3.514 0.728 0.40 47.05 ? 406 PHO a C5 1 ? ? +49556 HETATM C C5 B PHO AR 32 . ? -3.651 -3.547 0.715 0.60 47.40 ? 406 PHO a C5 1 ? ? +49557 HETATM C C6 A PHO AR 32 . ? -4.386 -2.351 0.168 0.40 47.20 ? 406 PHO a C6 1 ? ? +49558 HETATM C C6 B PHO AR 32 . ? -4.358 -2.335 0.154 0.60 47.55 ? 406 PHO a C6 1 ? ? +49559 HETATM C C7 A PHO AR 32 . ? -4.377 -2.306 -1.354 0.40 46.89 ? 406 PHO a C7 1 ? ? +49560 HETATM C C7 B PHO AR 32 . ? -4.344 -2.291 -1.370 0.60 47.24 ? 406 PHO a C7 1 ? ? +49561 HETATM C C8 A PHO AR 32 . ? -5.042 -1.086 -2.002 0.40 47.03 ? 406 PHO a C8 1 ? ? +49562 HETATM C C8 B PHO AR 32 . ? -5.082 -1.118 -2.026 0.60 47.38 ? 406 PHO a C8 1 ? ? +49563 HETATM C C9 A PHO AR 32 . ? -6.563 -1.155 -1.914 0.40 47.37 ? 406 PHO a C9 1 ? ? +49564 HETATM C C9 B PHO AR 32 . ? -6.599 -1.271 -1.920 0.60 47.70 ? 406 PHO a C9 1 ? ? +49565 HETATM C C10 A PHO AR 32 . ? -4.568 -0.905 -3.447 0.40 46.66 ? 406 PHO a C10 1 ? ? +49566 HETATM C C10 B PHO AR 32 . ? -4.627 -0.929 -3.479 0.60 47.00 ? 406 PHO a C10 1 ? ? +49567 HETATM C C11 A PHO AR 32 . ? -5.195 0.238 -4.206 0.40 46.79 ? 406 PHO a C11 1 ? ? +49568 HETATM C C11 B PHO AR 32 . ? -5.266 0.211 -4.238 0.60 47.15 ? 406 PHO a C11 1 ? ? +49569 HETATM C C12 A PHO AR 32 . ? -5.151 1.567 -3.492 0.40 47.10 ? 406 PHO a C12 1 ? ? +49570 HETATM C C12 B PHO AR 32 . ? -5.189 1.569 -3.572 0.60 47.45 ? 406 PHO a C12 1 ? ? +49571 HETATM C C13 A PHO AR 32 . ? -3.759 2.173 -3.299 0.40 46.96 ? 406 PHO a C13 1 ? ? +49572 HETATM C C13 B PHO AR 32 . ? -3.780 2.117 -3.318 0.60 47.32 ? 406 PHO a C13 1 ? ? +49573 HETATM C C14 A PHO AR 32 . ? -3.824 3.486 -2.536 0.40 47.30 ? 406 PHO a C14 1 ? ? +49574 HETATM C C14 B PHO AR 32 . ? -3.826 3.377 -2.465 0.60 47.68 ? 406 PHO a C14 1 ? ? +49575 HETATM C C15 A PHO AR 32 . ? -3.025 2.338 -4.629 0.40 46.59 ? 406 PHO a C15 1 ? ? +49576 HETATM C C15 B PHO AR 32 . ? -3.027 2.342 -4.634 0.60 46.96 ? 406 PHO a C15 1 ? ? +49577 HETATM C C16 A PHO AR 32 . ? -1.675 2.990 -4.538 0.40 46.46 ? 406 PHO a C16 1 ? ? +49578 HETATM C C16 B PHO AR 32 . ? -1.732 3.093 -4.536 0.60 46.86 ? 406 PHO a C16 1 ? ? +49579 HETATM C C17 A PHO AR 32 . ? -0.982 3.182 -5.862 0.40 46.13 ? 406 PHO a C17 1 ? ? +49580 HETATM C C17 B PHO AR 32 . ? -0.988 3.195 -5.840 0.60 46.53 ? 406 PHO a C17 1 ? ? +49581 HETATM C C18 A PHO AR 32 . ? 0.415 3.813 -5.783 0.40 46.06 ? 406 PHO a C18 1 ? ? +49582 HETATM C C18 B PHO AR 32 . ? 0.415 3.820 -5.749 0.60 46.48 ? 406 PHO a C18 1 ? ? +49583 HETATM C C19 A PHO AR 32 . ? 0.339 5.285 -5.401 0.40 46.37 ? 406 PHO a C19 1 ? ? +49584 HETATM C C19 B PHO AR 32 . ? 0.344 5.307 -5.430 0.60 46.81 ? 406 PHO a C19 1 ? ? +49585 HETATM C C20 A PHO AR 32 . ? 1.171 3.645 -7.089 0.40 45.69 ? 406 PHO a C20 1 ? ? +49586 HETATM C C20 B PHO AR 32 . ? 1.199 3.594 -7.030 0.60 46.09 ? 406 PHO a C20 1 ? ? +49587 HETATM MG MG . CLA AS 33 . ? 32.042 -18.962 -6.067 1.00 51.31 ? 614 CLA b MG 1 ? ? +49588 HETATM C CHA . CLA AS 33 . ? 31.803 -21.948 -4.300 1.00 51.81 ? 614 CLA b CHA 1 ? ? +49589 HETATM C CHB . CLA AS 33 . ? 35.127 -19.904 -7.102 1.00 51.96 ? 614 CLA b CHB 1 ? ? +49590 HETATM C CHC . CLA AS 33 . ? 31.789 -16.877 -8.944 1.00 50.10 ? 614 CLA b CHC 1 ? ? +49591 HETATM C CHD . CLA AS 33 . ? 28.472 -18.725 -5.940 1.00 50.25 ? 614 CLA b CHD 1 ? ? +49592 HETATM N NA . CLA AS 33 . ? 33.230 -20.590 -5.792 1.00 51.90 ? 614 CLA b NA 1 ? ? +49593 HETATM C C1A . CLA AS 33 . ? 33.038 -21.623 -5.025 1.00 52.18 ? 614 CLA b C1A 1 ? ? +49594 HETATM C C2A . CLA AS 33 . ? 34.219 -22.481 -4.765 1.00 53.09 ? 614 CLA b C2A 1 ? ? +49595 HETATM C C3A . CLA AS 33 . ? 35.293 -21.699 -5.475 1.00 53.01 ? 614 CLA b C3A 1 ? ? +49596 HETATM C C4A . CLA AS 33 . ? 34.503 -20.657 -6.200 1.00 52.23 ? 614 CLA b C4A 1 ? ? +49597 HETATM C CMA . CLA AS 33 . ? 36.271 -21.044 -4.506 1.00 53.53 ? 614 CLA b CMA 1 ? ? +49598 HETATM C CAA . CLA AS 33 . ? 34.039 -23.911 -5.253 1.00 53.60 ? 614 CLA b CAA 1 ? ? +49599 HETATM C CBA . CLA AS 33 . ? 33.514 -24.010 -6.678 1.00 53.90 ? 614 CLA b CBA 1 ? ? +49600 HETATM C CGA . CLA AS 33 . ? 31.993 -23.947 -6.794 1.00 54.92 ? 614 CLA b CGA 1 ? ? +49601 HETATM O O1A . CLA AS 33 . ? 31.187 -24.534 -6.085 1.00 54.82 ? 614 CLA b O1A 1 ? ? +49602 HETATM O O2A . CLA AS 33 . ? 31.428 -23.131 -7.824 1.00 56.56 ? 614 CLA b O2A 1 ? ? +49603 HETATM N NB . CLA AS 33 . ? 33.185 -18.525 -7.731 1.00 51.06 ? 614 CLA b NB 1 ? ? +49604 HETATM C C1B . CLA AS 33 . ? 34.490 -18.890 -7.934 1.00 51.44 ? 614 CLA b C1B 1 ? ? +49605 HETATM C C2B . CLA AS 33 . ? 35.179 -18.358 -9.137 1.00 51.24 ? 614 CLA b C2B 1 ? ? +49606 HETATM C C3B . CLA AS 33 . ? 34.150 -17.489 -9.664 1.00 50.73 ? 614 CLA b C3B 1 ? ? +49607 HETATM C C4B . CLA AS 33 . ? 33.025 -17.610 -8.710 1.00 50.64 ? 614 CLA b C4B 1 ? ? +49608 HETATM C CMB . CLA AS 33 . ? 36.541 -18.653 -9.664 1.00 51.72 ? 614 CLA b CMB 1 ? ? +49609 HETATM C CAB . CLA AS 33 . ? 34.169 -16.547 -10.804 1.00 50.56 ? 614 CLA b CAB 1 ? ? +49610 HETATM C CBB . CLA AS 33 . ? 35.257 -16.071 -11.348 1.00 50.84 ? 614 CLA b CBB 1 ? ? +49611 HETATM N NC . CLA AS 33 . ? 30.516 -18.069 -7.192 1.00 50.39 ? 614 CLA b NC 1 ? ? +49612 HETATM C C1C . CLA AS 33 . ? 30.571 -17.190 -8.235 1.00 49.95 ? 614 CLA b C1C 1 ? ? +49613 HETATM C C2C . CLA AS 33 . ? 29.307 -16.630 -8.767 1.00 49.41 ? 614 CLA b C2C 1 ? ? +49614 HETATM C C3C . CLA AS 33 . ? 28.346 -17.192 -7.859 1.00 49.62 ? 614 CLA b C3C 1 ? ? +49615 HETATM C C4C . CLA AS 33 . ? 29.184 -17.969 -6.944 1.00 50.06 ? 614 CLA b C4C 1 ? ? +49616 HETATM C CMC . CLA AS 33 . ? 29.044 -15.701 -9.922 1.00 48.97 ? 614 CLA b CMC 1 ? ? +49617 HETATM C CAC . CLA AS 33 . ? 26.848 -16.977 -7.817 1.00 49.68 ? 614 CLA b CAC 1 ? ? +49618 HETATM C CBC . CLA AS 33 . ? 26.171 -18.029 -8.648 1.00 49.45 ? 614 CLA b CBC 1 ? ? +49619 HETATM N ND . CLA AS 33 . ? 30.496 -20.184 -5.590 1.00 50.79 ? 614 CLA b ND 1 ? ? +49620 HETATM C C1D . CLA AS 33 . ? 29.145 -19.767 -5.223 1.00 50.70 ? 614 CLA b C1D 1 ? ? +49621 HETATM C C2D . CLA AS 33 . ? 28.471 -20.681 -4.255 1.00 50.85 ? 614 CLA b C2D 1 ? ? +49622 HETATM C C3D . CLA AS 33 . ? 29.611 -21.521 -3.895 1.00 51.10 ? 614 CLA b C3D 1 ? ? +49623 HETATM C C4D . CLA AS 33 . ? 30.678 -21.106 -4.579 1.00 51.15 ? 614 CLA b C4D 1 ? ? +49624 HETATM C CMD . CLA AS 33 . ? 27.115 -20.805 -3.632 1.00 50.67 ? 614 CLA b CMD 1 ? ? +49625 HETATM C CAD . CLA AS 33 . ? 29.989 -22.658 -3.034 1.00 51.63 ? 614 CLA b CAD 1 ? ? +49626 HETATM O OBD . CLA AS 33 . ? 29.259 -23.289 -2.191 1.00 51.58 ? 614 CLA b OBD 1 ? ? +49627 HETATM C CBD . CLA AS 33 . ? 31.435 -22.978 -3.281 1.00 51.97 ? 614 CLA b CBD 1 ? ? +49628 HETATM C CGD . CLA AS 33 . ? 32.159 -22.982 -1.997 1.00 52.46 ? 614 CLA b CGD 1 ? ? +49629 HETATM O O1D . CLA AS 33 . ? 33.154 -23.604 -1.898 1.00 53.60 ? 614 CLA b O1D 1 ? ? +49630 HETATM O O2D . CLA AS 33 . ? 31.729 -22.333 -0.805 1.00 52.65 ? 614 CLA b O2D 1 ? ? +49631 HETATM C CED . CLA AS 33 . ? 32.267 -22.694 0.464 1.00 53.18 ? 614 CLA b CED 1 ? ? +49632 HETATM C C1 . CLA AS 33 . ? 30.027 -22.893 -7.844 1.00 58.29 ? 614 CLA b C1 1 ? ? +49633 HETATM C C2 . CLA AS 33 . ? 29.675 -22.786 -9.300 1.00 59.65 ? 614 CLA b C2 1 ? ? +49634 HETATM C C3 . CLA AS 33 . ? 29.345 -21.634 -9.858 1.00 62.53 ? 614 CLA b C3 1 ? ? +49635 HETATM C C4 . CLA AS 33 . ? 29.249 -20.397 -9.037 1.00 62.31 ? 614 CLA b C4 1 ? ? +49636 HETATM C C5 . CLA AS 33 . ? 29.011 -21.646 -11.317 1.00 67.70 ? 614 CLA b C5 1 ? ? +49637 HETATM C C6 . CLA AS 33 . ? 28.454 -20.305 -11.772 1.00 72.80 ? 614 CLA b C6 1 ? ? +49638 HETATM C C7 . CLA AS 33 . ? 27.846 -20.450 -13.153 1.00 78.26 ? 614 CLA b C7 1 ? ? +49639 HETATM C C8 . CLA AS 33 . ? 27.007 -19.253 -13.610 1.00 89.03 ? 614 CLA b C8 1 ? ? +49640 HETATM C C9 . CLA AS 33 . ? 26.488 -18.183 -12.649 1.00 93.21 ? 614 CLA b C9 1 ? ? +49641 HETATM C C10 . CLA AS 33 . ? 26.808 -19.043 -15.106 1.00 96.19 ? 614 CLA b C10 1 ? ? +49642 HETATM C C11 . CLA AS 33 . ? 27.656 -19.960 -15.977 1.00 102.62 ? 614 CLA b C11 1 ? ? +49643 HETATM C C12 . CLA AS 33 . ? 28.336 -19.184 -17.097 1.00 108.47 ? 614 CLA b C12 1 ? ? +49644 HETATM C C13 . CLA AS 33 . ? 28.180 -19.922 -18.423 1.00 107.83 ? 614 CLA b C13 1 ? ? +49645 HETATM C C14 . CLA AS 33 . ? 29.461 -19.761 -19.243 1.00 106.67 ? 614 CLA b C14 1 ? ? +49646 HETATM C C15 . CLA AS 33 . ? 26.889 -19.511 -19.162 1.00 107.16 ? 614 CLA b C15 1 ? ? +49647 HETATM C C16 . CLA AS 33 . ? 26.139 -18.212 -18.773 1.00 107.62 ? 614 CLA b C16 1 ? ? +49648 HETATM C C17 . CLA AS 33 . ? 24.757 -18.271 -19.447 1.00 110.61 ? 614 CLA b C17 1 ? ? +49649 HETATM C C18 . CLA AS 33 . ? 23.924 -17.022 -19.773 1.00 107.79 ? 614 CLA b C18 1 ? ? +49650 HETATM C C19 . CLA AS 33 . ? 23.328 -16.184 -18.653 1.00 107.86 ? 614 CLA b C19 1 ? ? +49651 HETATM C C20 . CLA AS 33 . ? 23.817 -16.571 -21.228 1.00 105.02 ? 614 CLA b C20 1 ? ? +49652 HETATM MG MG . CLA AT 33 . ? -6.647 26.104 25.683 1.00 64.94 ? 511 CLA c MG 1 ? ? +49653 HETATM C CHA . CLA AT 33 . ? -3.704 24.933 27.053 1.00 65.11 ? 511 CLA c CHA 1 ? ? +49654 HETATM C CHB . CLA AT 33 . ? -7.650 23.013 25.069 1.00 64.07 ? 511 CLA c CHB 1 ? ? +49655 HETATM C CHC . CLA AT 33 . ? -9.120 27.400 23.551 1.00 64.66 ? 511 CLA c CHC 1 ? ? +49656 HETATM C CHD . CLA AT 33 . ? -5.135 29.468 25.571 1.00 65.69 ? 511 CLA c CHD 1 ? ? +49657 HETATM N NA . CLA AT 33 . ? -5.775 24.307 25.880 1.00 64.60 ? 511 CLA c NA 1 ? ? +49658 HETATM C C1A . CLA AT 33 . ? -4.719 23.985 26.572 1.00 64.76 ? 511 CLA c C1A 1 ? ? +49659 HETATM C C2A . CLA AT 33 . ? -4.567 22.521 26.876 1.00 64.64 ? 511 CLA c C2A 1 ? ? +49660 HETATM C C3A . CLA AT 33 . ? -5.692 21.951 26.057 1.00 64.21 ? 511 CLA c C3A 1 ? ? +49661 HETATM C C4A . CLA AT 33 . ? -6.422 23.171 25.585 1.00 64.27 ? 511 CLA c C4A 1 ? ? +49662 HETATM C CMA . CLA AT 33 . ? -5.216 21.078 24.912 1.00 63.43 ? 511 CLA c CMA 1 ? ? +49663 HETATM C CAA . CLA AT 33 . ? -4.733 22.255 28.365 1.00 65.60 ? 511 CLA c CAA 1 ? ? +49664 HETATM C CBA . CLA AT 33 . ? -4.788 20.793 28.792 1.00 65.82 ? 511 CLA c CBA 1 ? ? +49665 HETATM C CGA . CLA AT 33 . ? -3.447 20.108 28.729 1.00 66.13 ? 511 CLA c CGA 1 ? ? +49666 HETATM O O1A . CLA AT 33 . ? -2.745 19.902 29.704 1.00 66.50 ? 511 CLA c O1A 1 ? ? +49667 HETATM O O2A . CLA AT 33 . ? -2.936 19.626 27.484 1.00 66.46 ? 511 CLA c O2A 1 ? ? +49668 HETATM N NB . CLA AT 33 . ? -8.096 25.360 24.439 1.00 64.40 ? 511 CLA c NB 1 ? ? +49669 HETATM C C1B . CLA AT 33 . ? -8.466 24.057 24.422 1.00 64.09 ? 511 CLA c C1B 1 ? ? +49670 HETATM C C2B . CLA AT 33 . ? -9.634 23.698 23.570 1.00 63.63 ? 511 CLA c C2B 1 ? ? +49671 HETATM C C3B . CLA AT 33 . ? -10.056 25.022 23.112 1.00 63.85 ? 511 CLA c C3B 1 ? ? +49672 HETATM C C4B . CLA AT 33 . ? -9.093 25.954 23.752 1.00 64.32 ? 511 CLA c C4B 1 ? ? +49673 HETATM C CMB . CLA AT 33 . ? -10.198 22.327 23.348 1.00 63.24 ? 511 CLA c CMB 1 ? ? +49674 HETATM C CAB . CLA AT 33 . ? -11.217 25.423 22.271 1.00 63.85 ? 511 CLA c CAB 1 ? ? +49675 HETATM C CBB . CLA AT 33 . ? -12.215 24.623 21.942 1.00 63.68 ? 511 CLA c CBB 1 ? ? +49676 HETATM N NC . CLA AT 33 . ? -6.974 27.946 24.742 1.00 64.99 ? 511 CLA c NC 1 ? ? +49677 HETATM C C1C . CLA AT 33 . ? -8.064 28.311 24.009 1.00 64.98 ? 511 CLA c C1C 1 ? ? +49678 HETATM C C2C . CLA AT 33 . ? -8.138 29.719 23.540 1.00 65.29 ? 511 CLA c C2C 1 ? ? +49679 HETATM C C3C . CLA AT 33 . ? -6.970 30.325 24.139 1.00 65.42 ? 511 CLA c C3C 1 ? ? +49680 HETATM C C4C . CLA AT 33 . ? -6.393 29.189 24.884 1.00 65.36 ? 511 CLA c C4C 1 ? ? +49681 HETATM C CMC . CLA AT 33 . ? -9.175 30.393 22.676 1.00 65.41 ? 511 CLA c CMC 1 ? ? +49682 HETATM C CAC . CLA AT 33 . ? -6.541 31.764 24.043 1.00 65.79 ? 511 CLA c CAC 1 ? ? +49683 HETATM C CBC . CLA AT 33 . ? -5.696 31.988 22.819 1.00 65.37 ? 511 CLA c CBC 1 ? ? +49684 HETATM N ND . CLA AT 33 . ? -4.873 27.038 26.201 1.00 65.25 ? 511 CLA c ND 1 ? ? +49685 HETATM C C1D . CLA AT 33 . ? -4.337 28.379 26.069 1.00 65.52 ? 511 CLA c C1D 1 ? ? +49686 HETATM C C2D . CLA AT 33 . ? -3.064 28.465 26.843 1.00 65.76 ? 511 CLA c C2D 1 ? ? +49687 HETATM C C3D . CLA AT 33 . ? -2.845 27.045 27.192 1.00 65.53 ? 511 CLA c C3D 1 ? ? +49688 HETATM C C4D . CLA AT 33 . ? -3.814 26.297 26.637 1.00 65.18 ? 511 CLA c C4D 1 ? ? +49689 HETATM C CMD . CLA AT 33 . ? -2.098 29.548 27.208 1.00 66.22 ? 511 CLA c CMD 1 ? ? +49690 HETATM C CAD . CLA AT 33 . ? -1.867 26.138 27.846 1.00 65.63 ? 511 CLA c CAD 1 ? ? +49691 HETATM O OBD . CLA AT 33 . ? -0.762 26.460 28.419 1.00 65.86 ? 511 CLA c OBD 1 ? ? +49692 HETATM C CBD . CLA AT 33 . ? -2.415 24.749 27.784 1.00 65.37 ? 511 CLA c CBD 1 ? ? +49693 HETATM C CGD . CLA AT 33 . ? -1.468 23.901 27.058 1.00 64.94 ? 511 CLA c CGD 1 ? ? +49694 HETATM O O1D . CLA AT 33 . ? -0.835 23.041 27.613 1.00 65.09 ? 511 CLA c O1D 1 ? ? +49695 HETATM O O2D . CLA AT 33 . ? -1.297 24.127 25.658 1.00 64.72 ? 511 CLA c O2D 1 ? ? +49696 HETATM C CED . CLA AT 33 . ? -0.054 23.788 25.060 1.00 64.39 ? 511 CLA c CED 1 ? ? +49697 HETATM C C1 . CLA AT 33 . ? -1.530 19.588 27.355 1.00 67.17 ? 511 CLA c C1 1 ? ? +49698 HETATM C C2 . CLA AT 33 . ? -1.210 19.817 25.897 1.00 67.42 ? 511 CLA c C2 1 ? ? +49699 HETATM C C3 . CLA AT 33 . ? -1.078 18.790 25.060 1.00 67.94 ? 511 CLA c C3 1 ? ? +49700 HETATM C C4 . CLA AT 33 . ? -1.219 17.400 25.584 1.00 68.52 ? 511 CLA c C4 1 ? ? +49701 HETATM C C5 . CLA AT 33 . ? -0.762 18.989 23.606 1.00 67.81 ? 511 CLA c C5 1 ? ? +49702 HETATM C C6 . CLA AT 33 . ? -1.797 19.842 22.885 1.00 68.18 ? 511 CLA c C6 1 ? ? +49703 HETATM C C7 . CLA AT 33 . ? -1.264 19.926 21.471 1.00 68.34 ? 511 CLA c C7 1 ? ? +49704 HETATM C C8 . CLA AT 33 . ? -1.844 20.923 20.496 1.00 68.94 ? 511 CLA c C8 1 ? ? +49705 HETATM C C9 . CLA AT 33 . ? -2.205 20.463 19.102 1.00 68.91 ? 511 CLA c C9 1 ? ? +49706 HETATM C C10 . CLA AT 33 . ? -2.094 22.336 20.943 1.00 69.56 ? 511 CLA c C10 1 ? ? +49707 HETATM C C11 . CLA AT 33 . ? -3.543 22.714 21.149 1.00 69.93 ? 511 CLA c C11 1 ? ? +49708 HETATM C C12 . CLA AT 33 . ? -3.438 24.156 21.590 1.00 70.27 ? 511 CLA c C12 1 ? ? +49709 HETATM C C13 . CLA AT 33 . ? -4.698 24.655 22.241 1.00 70.72 ? 511 CLA c C13 1 ? ? +49710 HETATM C C14 . CLA AT 33 . ? -5.935 24.220 21.460 1.00 70.47 ? 511 CLA c C14 1 ? ? +49711 HETATM C C15 . CLA AT 33 . ? -4.598 26.175 22.309 1.00 71.25 ? 511 CLA c C15 1 ? ? +49712 HETATM C C16 . CLA AT 33 . ? -3.198 26.715 22.641 1.00 70.89 ? 511 CLA c C16 1 ? ? +49713 HETATM C C17 . CLA AT 33 . ? -3.257 28.234 22.552 1.00 71.36 ? 511 CLA c C17 1 ? ? +49714 HETATM C C18 . CLA AT 33 . ? -1.921 28.955 22.639 1.00 71.33 ? 511 CLA c C18 1 ? ? +49715 HETATM C C19 . CLA AT 33 . ? -1.919 30.434 22.974 1.00 72.00 ? 511 CLA c C19 1 ? ? +49716 HETATM C C20 . CLA AT 33 . ? -0.597 28.213 22.588 1.00 71.26 ? 511 CLA c C20 1 ? ? +49717 HETATM C C1 . LMG AU 34 . ? 2.998 -16.757 -32.737 1.00 70.41 ? 621 LMG B C1 1 ? ? +49718 HETATM O O1 . LMG AU 34 . ? 2.893 -18.144 -32.524 1.00 68.07 ? 621 LMG B O1 1 ? ? +49719 HETATM C C2 . LMG AU 34 . ? 3.862 -16.529 -33.976 1.00 69.56 ? 621 LMG B C2 1 ? ? +49720 HETATM O O2 . LMG AU 34 . ? 5.209 -16.900 -33.700 1.00 72.13 ? 621 LMG B O2 1 ? ? +49721 HETATM C C3 . LMG AU 34 . ? 3.830 -15.078 -34.448 1.00 68.40 ? 621 LMG B C3 1 ? ? +49722 HETATM O O3 . LMG AU 34 . ? 4.340 -15.049 -35.776 1.00 64.85 ? 621 LMG B O3 1 ? ? +49723 HETATM C C4 . LMG AU 34 . ? 2.421 -14.487 -34.434 1.00 72.46 ? 621 LMG B C4 1 ? ? +49724 HETATM O O4 . LMG AU 34 . ? 1.638 -15.033 -35.498 1.00 72.99 ? 621 LMG B O4 1 ? ? +49725 HETATM C C5 . LMG AU 34 . ? 1.703 -14.783 -33.116 1.00 72.84 ? 621 LMG B C5 1 ? ? +49726 HETATM O O5 . LMG AU 34 . ? -0.461 -14.836 -32.015 1.00 73.91 ? 621 LMG B O5 1 ? ? +49727 HETATM C C6 . LMG AU 34 . ? 0.272 -14.291 -33.101 1.00 73.03 ? 621 LMG B C6 1 ? ? +49728 HETATM O O6 . LMG AU 34 . ? 1.691 -16.215 -32.912 1.00 72.08 ? 621 LMG B O6 1 ? ? +49729 HETATM C C7 . LMG AU 34 . ? 3.198 -18.591 -31.190 1.00 67.52 ? 621 LMG B C7 1 ? ? +49730 HETATM C C8 . LMG AU 34 . ? 4.171 -19.745 -31.342 1.00 68.66 ? 621 LMG B C8 1 ? ? +49731 HETATM C C9 . LMG AU 34 . ? 5.624 -19.315 -31.189 1.00 69.82 ? 621 LMG B C9 1 ? ? +49732 HETATM O O7 . LMG AU 34 . ? 3.985 -20.837 -30.398 1.00 66.33 ? 621 LMG B O7 1 ? ? +49733 HETATM C C10 . LMG AU 34 . ? 2.767 -21.258 -30.054 1.00 64.46 ? 621 LMG B C10 1 ? ? +49734 HETATM O O9 . LMG AU 34 . ? 1.760 -20.697 -30.338 1.00 66.25 ? 621 LMG B O9 1 ? ? +49735 HETATM C C11 . LMG AU 34 . ? 2.900 -22.587 -29.382 1.00 62.86 ? 621 LMG B C11 1 ? ? +49736 HETATM C C12 . LMG AU 34 . ? 1.953 -22.823 -28.287 1.00 61.45 ? 621 LMG B C12 1 ? ? +49737 HETATM C C13 . LMG AU 34 . ? 1.789 -24.307 -28.017 1.00 61.11 ? 621 LMG B C13 1 ? ? +49738 HETATM C C14 . LMG AU 34 . ? 0.991 -25.045 -29.064 1.00 60.29 ? 621 LMG B C14 1 ? ? +49739 HETATM C C15 . LMG AU 34 . ? 0.911 -26.526 -28.854 1.00 59.79 ? 621 LMG B C15 1 ? ? +49740 HETATM C C16 . LMG AU 34 . ? 0.178 -27.281 -29.938 1.00 59.67 ? 621 LMG B C16 1 ? ? +49741 HETATM C C17 . LMG AU 34 . ? 0.735 -28.650 -30.250 1.00 59.51 ? 621 LMG B C17 1 ? ? +49742 HETATM C C18 . LMG AU 34 . ? 1.117 -29.444 -29.029 1.00 60.42 ? 621 LMG B C18 1 ? ? +49743 HETATM C C19 . LMG AU 34 . ? 1.467 -30.880 -29.286 1.00 61.05 ? 621 LMG B C19 1 ? ? +49744 HETATM C C20 . LMG AU 34 . ? 2.904 -31.199 -29.037 1.00 61.37 ? 621 LMG B C20 1 ? ? +49745 HETATM C C21 . LMG AU 34 . ? 3.166 -32.645 -28.733 1.00 62.67 ? 621 LMG B C21 1 ? ? +49746 HETATM C C22 . LMG AU 34 . ? 4.636 -32.994 -28.681 1.00 63.21 ? 621 LMG B C22 1 ? ? +49747 HETATM C C23 . LMG AU 34 . ? 4.954 -34.221 -27.869 1.00 63.96 ? 621 LMG B C23 1 ? ? +49748 HETATM C C24 . LMG AU 34 . ? 6.182 -34.975 -28.342 1.00 64.20 ? 621 LMG B C24 1 ? ? +49749 HETATM C C25 . LMG AU 34 . ? 6.817 -35.869 -27.290 1.00 64.35 ? 621 LMG B C25 1 ? ? +49750 HETATM O O8 . LMG AU 34 . ? 6.472 -20.490 -31.139 1.00 71.39 ? 621 LMG B O8 1 ? ? +49751 HETATM C C28 . LMG AU 34 . ? 7.785 -20.289 -31.258 1.00 78.66 ? 621 LMG B C28 1 ? ? +49752 HETATM O O10 . LMG AU 34 . ? 8.277 -19.204 -31.392 1.00 89.29 ? 621 LMG B O10 1 ? ? +49753 HETATM C C29 . LMG AU 34 . ? 8.627 -21.547 -31.204 1.00 77.94 ? 621 LMG B C29 1 ? ? +49754 HETATM C C30 . LMG AU 34 . ? 7.874 -22.819 -31.347 1.00 77.87 ? 621 LMG B C30 1 ? ? +49755 HETATM C C31 . LMG AU 34 . ? 7.252 -23.272 -30.042 1.00 79.37 ? 621 LMG B C31 1 ? ? +49756 HETATM C C32 . LMG AU 34 . ? 8.223 -23.881 -29.068 1.00 78.50 ? 621 LMG B C32 1 ? ? +49757 HETATM C C33 . LMG AU 34 . ? 7.553 -24.727 -28.011 1.00 78.11 ? 621 LMG B C33 1 ? ? +49758 HETATM C C34 . LMG AU 34 . ? 8.471 -25.237 -26.941 1.00 76.20 ? 621 LMG B C34 1 ? ? +49759 HETATM C C35 . LMG AU 34 . ? 9.437 -24.214 -26.444 1.00 76.29 ? 621 LMG B C35 1 ? ? +49760 HETATM C C36 . LMG AU 34 . ? 10.167 -24.625 -25.214 1.00 76.12 ? 621 LMG B C36 1 ? ? +49761 HETATM C C37 . LMG AU 34 . ? 9.664 -23.977 -23.967 1.00 76.94 ? 621 LMG B C37 1 ? ? +49762 HETATM C C38 . LMG AU 34 . ? 10.402 -24.423 -22.741 1.00 80.32 ? 621 LMG B C38 1 ? ? +49763 HETATM C C39 . LMG AU 34 . ? 9.591 -24.370 -21.490 1.00 82.29 ? 621 LMG B C39 1 ? ? +49764 HETATM C C40 . LMG AU 34 . ? 9.006 -23.021 -21.214 1.00 82.80 ? 621 LMG B C40 1 ? ? +49765 HETATM C C41 . LMG AU 34 . ? 8.033 -23.001 -20.076 1.00 85.64 ? 621 LMG B C41 1 ? ? +49766 HETATM C C42 . LMG AU 34 . ? 8.425 -23.845 -18.881 1.00 87.68 ? 621 LMG B C42 1 ? ? +49767 HETATM C C43 . LMG AU 34 . ? 7.553 -23.637 -17.654 1.00 89.07 ? 621 LMG B C43 1 ? ? +49768 HETATM C C1 . BCR AV 30 . ? 56.924 -53.043 -38.090 1.00 65.00 ? 516 BCR C C1 1 ? ? +49769 HETATM C C2 . BCR AV 30 . ? 57.369 -52.587 -36.694 1.00 65.27 ? 516 BCR C C2 1 ? ? +49770 HETATM C C3 . BCR AV 30 . ? 58.199 -51.355 -36.709 1.00 65.37 ? 516 BCR C C3 1 ? ? +49771 HETATM C C4 . BCR AV 30 . ? 57.416 -50.215 -37.346 1.00 64.74 ? 516 BCR C C4 1 ? ? +49772 HETATM C C5 . BCR AV 30 . ? 56.781 -50.594 -38.654 1.00 64.27 ? 516 BCR C C5 1 ? ? +49773 HETATM C C6 . BCR AV 30 . ? 56.695 -51.883 -39.041 1.00 64.27 ? 516 BCR C C6 1 ? ? +49774 HETATM C C7 . BCR AV 30 . ? 56.276 -52.271 -40.351 1.00 63.90 ? 516 BCR C C7 1 ? ? +49775 HETATM C C8 . BCR AV 30 . ? 56.662 -51.725 -41.536 1.00 63.73 ? 516 BCR C C8 1 ? ? +49776 HETATM C C9 . BCR AV 30 . ? 56.113 -52.010 -42.789 1.00 63.08 ? 516 BCR C C9 1 ? ? +49777 HETATM C C10 . BCR AV 30 . ? 56.830 -51.699 -43.966 1.00 62.95 ? 516 BCR C C10 1 ? ? +49778 HETATM C C11 . BCR AV 30 . ? 56.424 -51.844 -45.275 1.00 62.38 ? 516 BCR C C11 1 ? ? +49779 HETATM C C33 . BCR AV 30 . ? 56.286 -49.414 -39.445 1.00 63.90 ? 516 BCR C C33 1 ? ? +49780 HETATM C C31 . BCR AV 30 . ? 55.658 -53.909 -37.968 1.00 64.27 ? 516 BCR C C31 1 ? ? +49781 HETATM C C32 . BCR AV 30 . ? 58.059 -53.915 -38.654 1.00 66.34 ? 516 BCR C C32 1 ? ? +49782 HETATM C C34 . BCR AV 30 . ? 54.736 -52.586 -42.934 1.00 61.97 ? 516 BCR C C34 1 ? ? +49783 HETATM C C12 . BCR AV 30 . ? 57.111 -51.597 -46.434 1.00 62.21 ? 516 BCR C C12 1 ? ? +49784 HETATM C C13 . BCR AV 30 . ? 56.644 -51.689 -47.746 1.00 61.55 ? 516 BCR C C13 1 ? ? +49785 HETATM C C14 . BCR AV 30 . ? 57.524 -51.525 -48.812 1.00 61.65 ? 516 BCR C C14 1 ? ? +49786 HETATM C C15 . BCR AV 30 . ? 57.305 -51.610 -50.161 1.00 61.46 ? 516 BCR C C15 1 ? ? +49787 HETATM C C16 . BCR AV 30 . ? 58.204 -51.481 -51.194 1.00 61.90 ? 516 BCR C C16 1 ? ? +49788 HETATM C C17 . BCR AV 30 . ? 57.989 -51.515 -52.547 1.00 61.77 ? 516 BCR C C17 1 ? ? +49789 HETATM C C18 . BCR AV 30 . ? 58.904 -51.422 -53.609 1.00 62.35 ? 516 BCR C C18 1 ? ? +49790 HETATM C C19 . BCR AV 30 . ? 58.443 -51.435 -54.940 1.00 62.05 ? 516 BCR C C19 1 ? ? +49791 HETATM C C20 . BCR AV 30 . ? 59.130 -51.290 -56.130 1.00 62.46 ? 516 BCR C C20 1 ? ? +49792 HETATM C C21 . BCR AV 30 . ? 58.541 -51.383 -57.370 1.00 62.15 ? 516 BCR C C21 1 ? ? +49793 HETATM C C22 . BCR AV 30 . ? 59.070 -51.171 -58.648 1.00 62.52 ? 516 BCR C C22 1 ? ? +49794 HETATM C C23 . BCR AV 30 . ? 58.226 -51.335 -59.743 1.00 62.16 ? 516 BCR C C23 1 ? ? +49795 HETATM C C24 . BCR AV 30 . ? 58.358 -50.735 -60.946 1.00 62.25 ? 516 BCR C C24 1 ? ? +49796 HETATM C C25 . BCR AV 30 . ? 57.520 -50.882 -62.108 1.00 61.82 ? 516 BCR C C25 1 ? ? +49797 HETATM C C26 . BCR AV 30 . ? 57.008 -52.063 -62.518 1.00 61.78 ? 516 BCR C C26 1 ? ? +49798 HETATM C C27 . BCR AV 30 . ? 56.017 -52.130 -63.649 1.00 61.46 ? 516 BCR C C27 1 ? ? +49799 HETATM C C28 . BCR AV 30 . ? 55.331 -50.804 -63.963 1.00 60.90 ? 516 BCR C C28 1 ? ? +49800 HETATM C C29 . BCR AV 30 . ? 56.317 -49.699 -64.012 1.00 61.25 ? 516 BCR C C29 1 ? ? +49801 HETATM C C30 . BCR AV 30 . ? 57.115 -49.553 -62.718 1.00 61.42 ? 516 BCR C C30 1 ? ? +49802 HETATM C C35 . BCR AV 30 . ? 55.169 -51.921 -48.004 1.00 60.77 ? 516 BCR C C35 1 ? ? +49803 HETATM C C36 . BCR AV 30 . ? 60.385 -51.337 -53.325 1.00 63.32 ? 516 BCR C C36 1 ? ? +49804 HETATM C C37 . BCR AV 30 . ? 60.521 -50.858 -58.776 1.00 63.38 ? 516 BCR C C37 1 ? ? +49805 HETATM C C38 . BCR AV 30 . ? 57.347 -53.416 -61.949 1.00 61.92 ? 516 BCR C C38 1 ? ? +49806 HETATM C C39 . BCR AV 30 . ? 56.249 -48.787 -61.710 1.00 60.57 ? 516 BCR C C39 1 ? ? +49807 HETATM C C40 . BCR AV 30 . ? 58.356 -48.705 -63.039 1.00 62.20 ? 516 BCR C C40 1 ? ? +49808 HETATM C C1 . BCR AW 30 . ? -16.869 -52.136 -20.277 1.00 57.34 ? 101 BCR H C1 1 ? ? +49809 HETATM C C2 . BCR AW 30 . ? -15.864 -52.741 -19.292 1.00 57.30 ? 101 BCR H C2 1 ? ? +49810 HETATM C C3 . BCR AW 30 . ? -16.137 -54.160 -18.956 1.00 58.01 ? 101 BCR H C3 1 ? ? +49811 HETATM C C4 . BCR AW 30 . ? -17.544 -54.316 -18.404 1.00 58.83 ? 101 BCR H C4 1 ? ? +49812 HETATM C C5 . BCR AW 30 . ? -18.610 -53.539 -19.130 1.00 58.93 ? 101 BCR H C5 1 ? ? +49813 HETATM C C6 . BCR AW 30 . ? -18.307 -52.544 -19.993 1.00 58.39 ? 101 BCR H C6 1 ? ? +49814 HETATM C C7 . BCR AW 30 . ? -19.299 -51.738 -20.677 1.00 58.84 ? 101 BCR H C7 1 ? ? +49815 HETATM C C8 . BCR AW 30 . ? -20.513 -52.114 -21.151 1.00 59.93 ? 101 BCR H C8 1 ? ? +49816 HETATM C C9 . BCR AW 30 . ? -21.398 -51.297 -21.882 1.00 60.39 ? 101 BCR H C9 1 ? ? +49817 HETATM C C10 . BCR AW 30 . ? -22.419 -51.889 -22.637 1.00 61.36 ? 101 BCR H C10 1 ? ? +49818 HETATM C C11 . BCR AW 30 . ? -23.301 -51.306 -23.518 1.00 61.95 ? 101 BCR H C11 1 ? ? +49819 HETATM C C33 . BCR AW 30 . ? -19.998 -53.983 -18.755 1.00 59.66 ? 101 BCR H C33 1 ? ? +49820 HETATM C C31 . BCR AW 30 . ? -16.494 -52.607 -21.690 1.00 57.13 ? 101 BCR H C31 1 ? ? +49821 HETATM C C32 . BCR AW 30 . ? -16.705 -50.608 -20.240 1.00 56.59 ? 101 BCR H C32 1 ? ? +49822 HETATM C C34 . BCR AW 30 . ? -21.301 -49.806 -21.907 1.00 59.81 ? 101 BCR H C34 1 ? ? +49823 HETATM C C12 . BCR AW 30 . ? -24.049 -51.998 -24.446 1.00 62.95 ? 101 BCR H C12 1 ? ? +49824 HETATM C C13 . BCR AW 30 . ? -24.931 -51.517 -25.417 1.00 63.51 ? 101 BCR H C13 1 ? ? +49825 HETATM C C14 . BCR AW 30 . ? -25.422 -52.361 -26.433 1.00 64.06 ? 101 BCR H C14 1 ? ? +49826 HETATM C C15 . BCR AW 30 . ? -26.183 -52.068 -27.541 1.00 64.42 ? 101 BCR H C15 1 ? ? +49827 HETATM C C16 . BCR AW 30 . ? -26.484 -52.878 -28.611 1.00 65.00 ? 101 BCR H C16 1 ? ? +49828 HETATM C C17 . BCR AW 30 . ? -27.254 -52.616 -29.716 1.00 65.51 ? 101 BCR H C17 1 ? ? +49829 HETATM C C18 . BCR AW 30 . ? -27.514 -53.410 -30.849 1.00 66.23 ? 101 BCR H C18 1 ? ? +49830 HETATM C C19 . BCR AW 30 . ? -28.383 -52.961 -31.879 1.00 67.16 ? 101 BCR H C19 1 ? ? +49831 HETATM C C20 . BCR AW 30 . ? -28.727 -53.578 -33.072 1.00 68.01 ? 101 BCR H C20 1 ? ? +49832 HETATM C C21 . BCR AW 30 . ? -29.562 -53.118 -34.076 1.00 68.48 ? 101 BCR H C21 1 ? ? +49833 HETATM C C22 . BCR AW 30 . ? -29.940 -53.752 -35.277 1.00 69.01 ? 101 BCR H C22 1 ? ? +49834 HETATM C C23 . BCR AW 30 . ? -30.761 -53.100 -36.205 1.00 69.47 ? 101 BCR H C23 1 ? ? +49835 HETATM C C24 . BCR AW 30 . ? -31.448 -53.691 -37.227 1.00 70.13 ? 101 BCR H C24 1 ? ? +49836 HETATM C C25 . BCR AW 30 . ? -32.358 -53.070 -38.166 1.00 70.56 ? 101 BCR H C25 1 ? ? +49837 HETATM C C26 . BCR AW 30 . ? -32.190 -51.822 -38.661 1.00 69.83 ? 101 BCR H C26 1 ? ? +49838 HETATM C C27 . BCR AW 30 . ? -33.246 -51.158 -39.506 1.00 70.58 ? 101 BCR H C27 1 ? ? +49839 HETATM C C28 . BCR AW 30 . ? -34.632 -51.804 -39.431 1.00 71.68 ? 101 BCR H C28 1 ? ? +49840 HETATM C C29 . BCR AW 30 . ? -34.527 -53.290 -39.473 1.00 72.25 ? 101 BCR H C29 1 ? ? +49841 HETATM C C30 . BCR AW 30 . ? -33.633 -53.877 -38.374 1.00 71.99 ? 101 BCR H C30 1 ? ? +49842 HETATM C C35 . BCR AW 30 . ? -25.351 -50.094 -25.360 1.00 63.45 ? 101 BCR H C35 1 ? ? +49843 HETATM C C36 . BCR AW 30 . ? -26.866 -54.744 -30.971 1.00 65.88 ? 101 BCR H C36 1 ? ? +49844 HETATM C C37 . BCR AW 30 . ? -29.424 -55.130 -35.520 1.00 69.08 ? 101 BCR H C37 1 ? ? +49845 HETATM C C38 . BCR AW 30 . ? -30.975 -50.957 -38.454 1.00 68.52 ? 101 BCR H C38 1 ? ? +49846 HETATM C C39 . BCR AW 30 . ? -33.303 -55.337 -38.736 1.00 72.28 ? 101 BCR H C39 1 ? ? +49847 HETATM C C40 . BCR AW 30 . ? -34.439 -53.894 -37.064 1.00 72.64 ? 101 BCR H C40 1 ? ? +49848 HETATM MG MG . CLA AX 33 . ? -18.588 -1.244 -1.046 1.00 50.23 ? 407 CLA a MG 1 ? ? +49849 HETATM C CHA . CLA AX 33 . ? -19.786 1.294 -2.998 1.00 50.65 ? 407 CLA a CHA 1 ? ? +49850 HETATM C CHB . CLA AX 33 . ? -18.826 0.765 1.664 1.00 51.35 ? 407 CLA a CHB 1 ? ? +49851 HETATM C CHC . CLA AX 33 . ? -18.491 -4.049 1.018 1.00 50.34 ? 407 CLA a CHC 1 ? ? +49852 HETATM C CHD . CLA AX 33 . ? -19.485 -3.548 -3.699 1.00 49.63 ? 407 CLA a CHD 1 ? ? +49853 HETATM N NA . CLA AX 33 . ? -19.255 0.632 -0.703 1.00 51.06 ? 407 CLA a NA 1 ? ? +49854 HETATM C C1A . CLA AX 33 . ? -19.621 1.527 -1.561 1.00 51.36 ? 407 CLA a C1A 1 ? ? +49855 HETATM C C2A . CLA AX 33 . ? -19.726 2.919 -1.024 1.00 52.33 ? 407 CLA a C2A 1 ? ? +49856 HETATM C C3A . CLA AX 33 . ? -19.128 2.758 0.339 1.00 52.01 ? 407 CLA a C3A 1 ? ? +49857 HETATM C C4A . CLA AX 33 . ? -19.087 1.273 0.466 1.00 51.49 ? 407 CLA a C4A 1 ? ? +49858 HETATM C CMA . CLA AX 33 . ? -17.750 3.384 0.444 1.00 51.61 ? 407 CLA a CMA 1 ? ? +49859 HETATM C CAA . CLA AX 33 . ? -21.178 3.422 -0.945 1.00 54.20 ? 407 CLA a CAA 1 ? ? +49860 HETATM C CBA . CLA AX 33 . ? -22.057 2.530 -0.086 1.00 56.11 ? 407 CLA a CBA 1 ? ? +49861 HETATM C CGA . CLA AX 33 . ? -23.462 3.075 0.047 1.00 59.25 ? 407 CLA a CGA 1 ? ? +49862 HETATM O O1A . CLA AX 33 . ? -23.865 3.993 -0.630 1.00 60.04 ? 407 CLA a O1A 1 ? ? +49863 HETATM O O2A . CLA AX 33 . ? -24.410 2.519 0.978 1.00 63.96 ? 407 CLA a O2A 1 ? ? +49864 HETATM N NB . CLA AX 33 . ? -18.710 -1.583 0.979 1.00 50.66 ? 407 CLA a NB 1 ? ? +49865 HETATM C C1B . CLA AX 33 . ? -18.665 -0.659 1.962 1.00 51.03 ? 407 CLA a C1B 1 ? ? +49866 HETATM C C2B . CLA AX 33 . ? -18.616 -1.163 3.363 1.00 51.27 ? 407 CLA a C2B 1 ? ? +49867 HETATM C C3B . CLA AX 33 . ? -18.572 -2.608 3.137 1.00 51.06 ? 407 CLA a C3B 1 ? ? +49868 HETATM C C4B . CLA AX 33 . ? -18.550 -2.736 1.665 1.00 50.64 ? 407 CLA a C4B 1 ? ? +49869 HETATM C CMB . CLA AX 33 . ? -18.695 -0.363 4.641 1.00 51.71 ? 407 CLA a CMB 1 ? ? +49870 HETATM C CAB . CLA AX 33 . ? -18.421 -3.734 4.095 1.00 51.23 ? 407 CLA a CAB 1 ? ? +49871 HETATM C CBB . CLA AX 33 . ? -18.030 -3.556 5.349 1.00 51.46 ? 407 CLA a CBB 1 ? ? +49872 HETATM N NC . CLA AX 33 . ? -18.956 -3.289 -1.277 1.00 49.97 ? 407 CLA a NC 1 ? ? +49873 HETATM C C1C . CLA AX 33 . ? -18.761 -4.283 -0.391 1.00 50.02 ? 407 CLA a C1C 1 ? ? +49874 HETATM C C2C . CLA AX 33 . ? -18.989 -5.673 -0.833 1.00 49.94 ? 407 CLA a C2C 1 ? ? +49875 HETATM C C3C . CLA AX 33 . ? -19.266 -5.512 -2.240 1.00 49.72 ? 407 CLA a C3C 1 ? ? +49876 HETATM C C4C . CLA AX 33 . ? -19.179 -4.058 -2.383 1.00 49.73 ? 407 CLA a C4C 1 ? ? +49877 HETATM C CMC . CLA AX 33 . ? -18.923 -6.956 -0.060 1.00 50.10 ? 407 CLA a CMC 1 ? ? +49878 HETATM C CAC . CLA AX 33 . ? -19.587 -6.554 -3.284 1.00 49.59 ? 407 CLA a CAC 1 ? ? +49879 HETATM C CBC . CLA AX 33 . ? -21.104 -6.775 -3.354 1.00 50.22 ? 407 CLA a CBC 1 ? ? +49880 HETATM N ND . CLA AX 33 . ? -19.715 -1.221 -2.746 1.00 50.22 ? 407 CLA a ND 1 ? ? +49881 HETATM C C1D . CLA AX 33 . ? -19.605 -2.136 -3.891 1.00 49.76 ? 407 CLA a C1D 1 ? ? +49882 HETATM C C2D . CLA AX 33 . ? -19.826 -1.508 -5.208 1.00 49.64 ? 407 CLA a C2D 1 ? ? +49883 HETATM C C3D . CLA AX 33 . ? -19.890 -0.114 -4.787 1.00 49.94 ? 407 CLA a C3D 1 ? ? +49884 HETATM C C4D . CLA AX 33 . ? -19.698 -0.055 -3.465 1.00 50.20 ? 407 CLA a C4D 1 ? ? +49885 HETATM C CMD . CLA AX 33 . ? -19.950 -2.006 -6.610 1.00 49.40 ? 407 CLA a CMD 1 ? ? +49886 HETATM C CAD . CLA AX 33 . ? -20.039 1.260 -5.293 1.00 50.12 ? 407 CLA a CAD 1 ? ? +49887 HETATM O OBD . CLA AX 33 . ? -20.174 1.604 -6.503 1.00 49.98 ? 407 CLA a OBD 1 ? ? +49888 HETATM C CBD . CLA AX 33 . ? -19.979 2.213 -4.153 1.00 50.49 ? 407 CLA a CBD 1 ? ? +49889 HETATM C CGD . CLA AX 33 . ? -18.874 3.166 -4.416 1.00 50.17 ? 407 CLA a CGD 1 ? ? +49890 HETATM O O1D . CLA AX 33 . ? -17.673 2.878 -4.314 1.00 49.71 ? 407 CLA a O1D 1 ? ? +49891 HETATM O O2D . CLA AX 33 . ? -19.261 4.468 -4.888 1.00 50.46 ? 407 CLA a O2D 1 ? ? +49892 HETATM C CED . CLA AX 33 . ? -18.204 5.312 -5.358 1.00 50.13 ? 407 CLA a CED 1 ? ? +49893 HETATM C C1 . CLA AX 33 . ? -24.955 3.414 1.931 1.00 69.02 ? 407 CLA a C1 1 ? ? +49894 HETATM C C2 . CLA AX 33 . ? -25.414 2.578 3.095 1.00 74.01 ? 407 CLA a C2 1 ? ? +49895 HETATM C C3 . CLA AX 33 . ? -25.898 3.125 4.223 1.00 82.30 ? 407 CLA a C3 1 ? ? +49896 HETATM C C4 . CLA AX 33 . ? -26.029 4.625 4.382 1.00 82.88 ? 407 CLA a C4 1 ? ? +49897 HETATM C C5 . CLA AX 33 . ? -26.339 2.154 5.298 1.00 89.26 ? 407 CLA a C5 1 ? ? +49898 HETATM C C6 . CLA AX 33 . ? -26.088 2.639 6.725 1.00 94.68 ? 407 CLA a C6 1 ? ? +49899 HETATM C C7 . CLA AX 33 . ? -26.812 1.697 7.690 1.00 101.29 ? 407 CLA a C7 1 ? ? +49900 HETATM C C8 . CLA AX 33 . ? -27.179 2.285 9.059 1.00 108.10 ? 407 CLA a C8 1 ? ? +49901 HETATM C C9 . CLA AX 33 . ? -27.480 1.302 10.198 1.00 108.36 ? 407 CLA a C9 1 ? ? +49902 HETATM C C10 . CLA AX 33 . ? -27.052 3.774 9.365 1.00 113.59 ? 407 CLA a C10 1 ? ? +49903 HETATM C C11 . CLA AX 33 . ? -25.866 4.232 10.211 1.00 117.85 ? 407 CLA a C11 1 ? ? +49904 HETATM C C12 . CLA AX 33 . ? -24.597 4.482 9.388 1.00 119.58 ? 407 CLA a C12 1 ? ? +49905 HETATM C C13 . CLA AX 33 . ? -23.731 5.546 10.069 1.00 122.59 ? 407 CLA a C13 1 ? ? +49906 HETATM C C14 . CLA AX 33 . ? -22.534 5.944 9.203 1.00 122.59 ? 407 CLA a C14 1 ? ? +49907 HETATM C C15 . CLA AX 33 . ? -23.300 5.094 11.483 1.00 124.88 ? 407 CLA a C15 1 ? ? +49908 HETATM C C16 . CLA AX 33 . ? -22.305 3.927 11.540 1.00 122.10 ? 407 CLA a C16 1 ? ? +49909 HETATM C C17 . CLA AX 33 . ? -21.905 3.495 12.962 1.00 118.54 ? 407 CLA a C17 1 ? ? +49910 HETATM C C18 . CLA AX 33 . ? -20.844 4.265 13.762 1.00 114.55 ? 407 CLA a C18 1 ? ? +49911 HETATM C C19 . CLA AX 33 . ? -19.402 3.793 13.790 1.00 112.04 ? 407 CLA a C19 1 ? ? +49912 HETATM C C20 . CLA AX 33 . ? -21.186 5.515 14.498 1.00 115.77 ? 407 CLA a C20 1 ? ? +49913 HETATM MG MG . CLA AY 33 . ? 53.672 -13.905 -7.998 1.00 57.62 ? 615 CLA b MG 1 ? ? +49914 HETATM C CHA . CLA AY 33 . ? 50.326 -14.191 -9.038 1.00 55.60 ? 615 CLA b CHA 1 ? ? +49915 HETATM C CHB . CLA AY 33 . ? 54.602 -13.667 -11.227 1.00 57.69 ? 615 CLA b CHB 1 ? ? +49916 HETATM C CHC . CLA AY 33 . ? 56.899 -15.014 -7.160 1.00 59.70 ? 615 CLA b CHC 1 ? ? +49917 HETATM C CHD . CLA AY 33 . ? 52.616 -15.385 -4.805 1.00 57.75 ? 615 CLA b CHD 1 ? ? +49918 HETATM N NA . CLA AY 33 . ? 52.696 -13.881 -9.757 1.00 56.97 ? 615 CLA b NA 1 ? ? +49919 HETATM C C1A . CLA AY 33 . ? 51.396 -13.841 -9.985 1.00 56.41 ? 615 CLA b C1A 1 ? ? +49920 HETATM C C2A . CLA AY 33 . ? 50.973 -13.516 -11.394 1.00 56.38 ? 615 CLA b C2A 1 ? ? +49921 HETATM C C3A . CLA AY 33 . ? 52.316 -13.343 -12.044 1.00 56.70 ? 615 CLA b C3A 1 ? ? +49922 HETATM C C4A . CLA AY 33 . ? 53.292 -13.669 -10.940 1.00 57.22 ? 615 CLA b C4A 1 ? ? +49923 HETATM C CMA . CLA AY 33 . ? 52.394 -14.271 -13.248 1.00 56.50 ? 615 CLA b CMA 1 ? ? +49924 HETATM C CAA . CLA AY 33 . ? 50.007 -12.326 -11.558 1.00 56.66 ? 615 CLA b CAA 1 ? ? +49925 HETATM C CBA . CLA AY 33 . ? 49.938 -11.716 -12.966 1.00 57.09 ? 615 CLA b CBA 1 ? ? +49926 HETATM C CGA . CLA AY 33 . ? 49.145 -12.566 -13.916 1.00 57.33 ? 615 CLA b CGA 1 ? ? +49927 HETATM O O1A . CLA AY 33 . ? 48.497 -13.517 -13.538 1.00 57.01 ? 615 CLA b O1A 1 ? ? +49928 HETATM O O2A . CLA AY 33 . ? 49.167 -12.244 -15.324 1.00 59.30 ? 615 CLA b O2A 1 ? ? +49929 HETATM N NB . CLA AY 33 . ? 55.437 -14.324 -9.000 1.00 58.54 ? 615 CLA b NB 1 ? ? +49930 HETATM C C1B . CLA AY 33 . ? 55.670 -14.063 -10.308 1.00 58.42 ? 615 CLA b C1B 1 ? ? +49931 HETATM C C2B . CLA AY 33 . ? 57.034 -14.365 -10.816 1.00 59.06 ? 615 CLA b C2B 1 ? ? +49932 HETATM C C3B . CLA AY 33 . ? 57.702 -14.777 -9.599 1.00 59.74 ? 615 CLA b C3B 1 ? ? +49933 HETATM C C4B . CLA AY 33 . ? 56.672 -14.657 -8.545 1.00 59.25 ? 615 CLA b C4B 1 ? ? +49934 HETATM C CMB . CLA AY 33 . ? 57.607 -14.235 -12.210 1.00 59.09 ? 615 CLA b CMB 1 ? ? +49935 HETATM C CAB . CLA AY 33 . ? 59.152 -15.150 -9.592 1.00 60.81 ? 615 CLA b CAB 1 ? ? +49936 HETATM C CBB . CLA AY 33 . ? 59.829 -15.491 -8.526 1.00 61.57 ? 615 CLA b CBB 1 ? ? +49937 HETATM N NC . CLA AY 33 . ? 54.502 -14.983 -6.412 1.00 58.44 ? 615 CLA b NC 1 ? ? +49938 HETATM C C1C . CLA AY 33 . ? 55.828 -15.239 -6.194 1.00 59.30 ? 615 CLA b C1C 1 ? ? +49939 HETATM C C2C . CLA AY 33 . ? 56.210 -15.937 -4.947 1.00 59.83 ? 615 CLA b C2C 1 ? ? +49940 HETATM C C3C . CLA AY 33 . ? 54.942 -16.047 -4.254 1.00 59.16 ? 615 CLA b C3C 1 ? ? +49941 HETATM C C4C . CLA AY 33 . ? 54.024 -15.377 -5.190 1.00 58.44 ? 615 CLA b C4C 1 ? ? +49942 HETATM C CMC . CLA AY 33 . ? 57.571 -16.392 -4.477 1.00 60.79 ? 615 CLA b CMC 1 ? ? +49943 HETATM C CAC . CLA AY 33 . ? 54.683 -16.643 -2.892 1.00 59.38 ? 615 CLA b CAC 1 ? ? +49944 HETATM C CBC . CLA AY 33 . ? 54.382 -18.117 -2.987 1.00 59.14 ? 615 CLA b CBC 1 ? ? +49945 HETATM N ND . CLA AY 33 . ? 51.913 -14.563 -7.092 1.00 56.88 ? 615 CLA b ND 1 ? ? +49946 HETATM C C1D . CLA AY 33 . ? 51.623 -15.199 -5.817 1.00 56.93 ? 615 CLA b C1D 1 ? ? +49947 HETATM C C2D . CLA AY 33 . ? 50.158 -15.315 -5.626 1.00 56.18 ? 615 CLA b C2D 1 ? ? +49948 HETATM C C3D . CLA AY 33 . ? 49.695 -14.918 -6.969 1.00 55.56 ? 615 CLA b C3D 1 ? ? +49949 HETATM C C4D . CLA AY 33 . ? 50.733 -14.660 -7.756 1.00 55.96 ? 615 CLA b C4D 1 ? ? +49950 HETATM C CMD . CLA AY 33 . ? 49.263 -15.768 -4.505 1.00 56.06 ? 615 CLA b CMD 1 ? ? +49951 HETATM C CAD . CLA AY 33 . ? 48.460 -14.785 -7.789 1.00 54.77 ? 615 CLA b CAD 1 ? ? +49952 HETATM O OBD . CLA AY 33 . ? 47.281 -15.017 -7.380 1.00 54.14 ? 615 CLA b OBD 1 ? ? +49953 HETATM C CBD . CLA AY 33 . ? 48.826 -14.287 -9.160 1.00 54.69 ? 615 CLA b CBD 1 ? ? +49954 HETATM C CGD . CLA AY 33 . ? 48.249 -15.194 -10.192 1.00 54.06 ? 615 CLA b CGD 1 ? ? +49955 HETATM O O1D . CLA AY 33 . ? 48.848 -16.133 -10.640 1.00 54.18 ? 615 CLA b O1D 1 ? ? +49956 HETATM O O2D . CLA AY 33 . ? 46.895 -14.982 -10.658 1.00 53.32 ? 615 CLA b O2D 1 ? ? +49957 HETATM C CED . CLA AY 33 . ? 46.433 -15.710 -11.788 1.00 52.74 ? 615 CLA b CED 1 ? ? +49958 HETATM C C1 . CLA AY 33 . ? 48.400 -12.962 -16.297 1.00 60.68 ? 615 CLA b C1 1 ? ? +49959 HETATM C C2 . CLA AY 33 . ? 49.138 -14.223 -16.696 1.00 62.98 ? 615 CLA b C2 1 ? ? +49960 HETATM C C3 . CLA AY 33 . ? 49.772 -14.392 -17.874 1.00 65.80 ? 615 CLA b C3 1 ? ? +49961 HETATM C C4 . CLA AY 33 . ? 49.821 -13.344 -18.943 1.00 65.41 ? 615 CLA b C4 1 ? ? +49962 HETATM C C5 . CLA AY 33 . ? 50.461 -15.697 -18.128 1.00 68.90 ? 615 CLA b C5 1 ? ? +49963 HETATM C C6 . CLA AY 33 . ? 51.936 -15.415 -18.034 1.00 72.67 ? 615 CLA b C6 1 ? ? +49964 HETATM C C7 . CLA AY 33 . ? 52.759 -16.623 -18.460 1.00 76.86 ? 615 CLA b C7 1 ? ? +49965 HETATM C C8 . CLA AY 33 . ? 53.425 -17.381 -17.306 1.00 81.92 ? 615 CLA b C8 1 ? ? +49966 HETATM C C9 . CLA AY 33 . ? 53.354 -16.927 -15.834 1.00 84.26 ? 615 CLA b C9 1 ? ? +49967 HETATM C C10 . CLA AY 33 . ? 53.999 -18.748 -17.641 1.00 83.06 ? 615 CLA b C10 1 ? ? +49968 HETATM C C11 . CLA AY 33 . ? 53.905 -19.701 -16.456 1.00 83.15 ? 615 CLA b C11 1 ? ? +49969 HETATM C C12 . CLA AY 33 . ? 54.898 -20.846 -16.525 1.00 83.21 ? 615 CLA b C12 1 ? ? +49970 HETATM C C13 . CLA AY 33 . ? 55.387 -21.259 -15.137 1.00 82.92 ? 615 CLA b C13 1 ? ? +49971 HETATM C C14 . CLA AY 33 . ? 56.050 -22.632 -15.244 1.00 83.41 ? 615 CLA b C14 1 ? ? +49972 HETATM C C15 . CLA AY 33 . ? 54.254 -21.227 -14.080 1.00 81.22 ? 615 CLA b C15 1 ? ? +49973 HETATM C C16 . CLA AY 33 . ? 54.707 -20.738 -12.703 1.00 81.79 ? 615 CLA b C16 1 ? ? +49974 HETATM C C17 . CLA AY 33 . ? 55.456 -19.426 -12.859 1.00 82.10 ? 615 CLA b C17 1 ? ? +49975 HETATM C C18 . CLA AY 33 . ? 55.584 -18.458 -11.715 1.00 81.34 ? 615 CLA b C18 1 ? ? +49976 HETATM C C19 . CLA AY 33 . ? 54.528 -17.398 -11.620 1.00 81.20 ? 615 CLA b C19 1 ? ? +49977 HETATM C C20 . CLA AY 33 . ? 56.686 -18.213 -10.714 1.00 81.98 ? 615 CLA b C20 1 ? ? +49978 HETATM MG MG . CLA AZ 33 . ? -0.830 22.438 35.098 1.00 67.62 ? 512 CLA c MG 1 ? ? +49979 HETATM C CHA . CLA AZ 33 . ? -0.037 21.902 38.427 1.00 69.38 ? 512 CLA c CHA 1 ? ? +49980 HETATM C CHB . CLA AZ 33 . ? -3.402 24.442 36.090 1.00 69.02 ? 512 CLA c CHB 1 ? ? +49981 HETATM C CHC . CLA AZ 33 . ? -0.771 24.205 32.034 1.00 66.48 ? 512 CLA c CHC 1 ? ? +49982 HETATM C CHD . CLA AZ 33 . ? 2.601 21.518 34.276 1.00 66.71 ? 512 CLA c CHD 1 ? ? +49983 HETATM N NA . CLA AZ 33 . ? -1.526 23.142 36.882 1.00 68.97 ? 512 CLA c NA 1 ? ? +49984 HETATM C C1A . CLA AZ 33 . ? -1.185 22.758 38.085 1.00 69.60 ? 512 CLA c C1A 1 ? ? +49985 HETATM C C2A . CLA AZ 33 . ? -2.149 23.106 39.176 1.00 70.60 ? 512 CLA c C2A 1 ? ? +49986 HETATM C C3A . CLA AZ 33 . ? -3.091 24.050 38.468 1.00 70.36 ? 512 CLA c C3A 1 ? ? +49987 HETATM C C4A . CLA AZ 33 . ? -2.651 23.885 37.039 1.00 69.36 ? 512 CLA c C4A 1 ? ? +49988 HETATM C CMA . CLA AZ 33 . ? -4.547 23.684 38.747 1.00 70.58 ? 512 CLA c CMA 1 ? ? +49989 HETATM C CAA . CLA AZ 33 . ? -1.544 23.709 40.437 1.00 71.78 ? 512 CLA c CAA 1 ? ? +49990 HETATM C CBA . CLA AZ 33 . ? -0.534 24.808 40.117 1.00 72.19 ? 512 CLA c CBA 1 ? ? +49991 HETATM C CGA . CLA AZ 33 . ? 0.085 25.376 41.375 1.00 73.50 ? 512 CLA c CGA 1 ? ? +49992 HETATM O O1A . CLA AZ 33 . ? -0.395 25.158 42.477 1.00 74.43 ? 512 CLA c O1A 1 ? ? +49993 HETATM O O2A . CLA AZ 33 . ? 1.279 26.205 41.278 1.00 73.95 ? 512 CLA c O2A 1 ? ? +49994 HETATM N NB . CLA AZ 33 . ? -1.845 24.035 34.239 1.00 67.73 ? 512 CLA c NB 1 ? ? +49995 HETATM C C1B . CLA AZ 33 . ? -2.944 24.667 34.720 1.00 68.24 ? 512 CLA c C1B 1 ? ? +49996 HETATM C C2B . CLA AZ 33 . ? -3.583 25.723 33.875 1.00 68.17 ? 512 CLA c C2B 1 ? ? +49997 HETATM C C3B . CLA AZ 33 . ? -2.742 25.632 32.693 1.00 67.39 ? 512 CLA c C3B 1 ? ? +49998 HETATM C C4B . CLA AZ 33 . ? -1.798 24.548 32.995 1.00 67.16 ? 512 CLA c C4B 1 ? ? +49999 HETATM C CMB . CLA AZ 33 . ? -4.775 26.614 34.179 1.00 68.67 ? 512 CLA c CMB 1 ? ? +50000 HETATM C CAB . CLA AZ 33 . ? -2.854 26.309 31.384 1.00 67.10 ? 512 CLA c CAB 1 ? ? +50001 HETATM C CBB . CLA AZ 33 . ? -3.969 26.892 30.979 1.00 67.31 ? 512 CLA c CBB 1 ? ? +50002 HETATM N NC . CLA AZ 33 . ? 0.561 22.814 33.567 1.00 66.78 ? 512 CLA c NC 1 ? ? +50003 HETATM C C1C . CLA AZ 33 . ? 0.404 23.447 32.381 1.00 66.30 ? 512 CLA c C1C 1 ? ? +50004 HETATM C C2C . CLA AZ 33 . ? 1.541 23.473 31.432 1.00 65.76 ? 512 CLA c C2C 1 ? ? +50005 HETATM C C3C . CLA AZ 33 . ? 2.537 22.661 32.102 1.00 65.90 ? 512 CLA c C3C 1 ? ? +50006 HETATM C C4C . CLA AZ 33 . ? 1.821 22.287 33.328 1.00 66.46 ? 512 CLA c C4C 1 ? ? +50007 HETATM C CMC . CLA AZ 33 . ? 1.670 24.140 30.094 1.00 65.33 ? 512 CLA c CMC 1 ? ? +50008 HETATM C CAC . CLA AZ 33 . ? 3.919 22.269 31.633 1.00 65.61 ? 512 CLA c CAC 1 ? ? +50009 HETATM C CBC . CLA AZ 33 . ? 4.955 23.251 32.088 1.00 66.11 ? 512 CLA c CBC 1 ? ? +50010 HETATM N ND . CLA AZ 33 . ? 0.949 22.183 36.087 1.00 67.95 ? 512 CLA c ND 1 ? ? +50011 HETATM C C1D . CLA AZ 33 . ? 2.109 21.385 35.623 1.00 67.47 ? 512 CLA c C1D 1 ? ? +50012 HETATM C C2D . CLA AZ 33 . ? 2.800 20.608 36.695 1.00 67.86 ? 512 CLA c C2D 1 ? ? +50013 HETATM C C3D . CLA AZ 33 . ? 1.863 20.838 37.793 1.00 68.54 ? 512 CLA c C3D 1 ? ? +50014 HETATM C C4D . CLA AZ 33 . ? 0.860 21.619 37.350 1.00 68.56 ? 512 CLA c C4D 1 ? ? +50015 HETATM C CMD . CLA AZ 33 . ? 4.031 19.753 36.812 1.00 67.71 ? 512 CLA c CMD 1 ? ? +50016 HETATM C CAD . CLA AZ 33 . ? 1.649 20.490 39.210 1.00 69.23 ? 512 CLA c CAD 1 ? ? +50017 HETATM O OBD . CLA AZ 33 . ? 2.401 19.732 39.909 1.00 69.33 ? 512 CLA c OBD 1 ? ? +50018 HETATM C CBD . CLA AZ 33 . ? 0.391 21.167 39.671 1.00 69.81 ? 512 CLA c CBD 1 ? ? +50019 HETATM C CGD . CLA AZ 33 . ? -0.609 20.162 40.173 1.00 69.91 ? 512 CLA c CGD 1 ? ? +50020 HETATM O O1D . CLA AZ 33 . ? -1.117 19.337 39.438 1.00 69.40 ? 512 CLA c O1D 1 ? ? +50021 HETATM O O2D . CLA AZ 33 . ? -0.978 20.150 41.572 1.00 70.72 ? 512 CLA c O2D 1 ? ? +50022 HETATM C CED . CLA AZ 33 . ? -1.568 18.998 42.167 1.00 70.94 ? 512 CLA c CED 1 ? ? +50023 HETATM C C1 . CLA AZ 33 . ? 1.461 27.315 42.141 1.00 74.96 ? 512 CLA c C1 1 ? ? +50024 HETATM C C2 . CLA AZ 33 . ? 2.071 28.420 41.316 1.00 75.07 ? 512 CLA c C2 1 ? ? +50025 HETATM C C3 . CLA AZ 33 . ? 2.285 29.630 41.840 1.00 76.17 ? 512 CLA c C3 1 ? ? +50026 HETATM C C4 . CLA AZ 33 . ? 1.934 29.898 43.274 1.00 77.14 ? 512 CLA c C4 1 ? ? +50027 HETATM C C5 . CLA AZ 33 . ? 2.878 30.722 40.983 1.00 76.39 ? 512 CLA c C5 1 ? ? +50028 HETATM C C6 . CLA AZ 33 . ? 1.787 31.679 40.483 1.00 76.93 ? 512 CLA c C6 1 ? ? +50029 HETATM C C7 . CLA AZ 33 . ? 0.666 30.904 39.801 1.00 76.68 ? 512 CLA c C7 1 ? ? +50030 HETATM C C8 . CLA AZ 33 . ? -0.417 31.665 39.049 1.00 76.88 ? 512 CLA c C8 1 ? ? +50031 HETATM C C9 . CLA AZ 33 . ? -1.869 31.250 39.274 1.00 77.22 ? 512 CLA c C9 1 ? ? +50032 HETATM C C10 . CLA AZ 33 . ? -0.048 32.847 38.184 1.00 76.99 ? 512 CLA c C10 1 ? ? +50033 HETATM C C11 . CLA AZ 33 . ? -1.285 33.569 37.663 1.00 77.26 ? 512 CLA c C11 1 ? ? +50034 HETATM C C12 . CLA AZ 33 . ? -0.948 34.982 37.224 1.00 77.70 ? 512 CLA c C12 1 ? ? +50035 HETATM C C13 . CLA AZ 33 . ? -2.190 35.725 36.733 1.00 77.89 ? 512 CLA c C13 1 ? ? +50036 HETATM C C14 . CLA AZ 33 . ? -1.753 36.875 35.834 1.00 77.85 ? 512 CLA c C14 1 ? ? +50037 HETATM C C15 . CLA AZ 33 . ? -2.995 36.206 37.929 1.00 78.99 ? 512 CLA c C15 1 ? ? +50038 HETATM C C16 . CLA AZ 33 . ? -4.291 36.915 37.547 1.00 79.61 ? 512 CLA c C16 1 ? ? +50039 HETATM C C17 . CLA AZ 33 . ? -4.921 37.366 38.853 1.00 80.86 ? 512 CLA c C17 1 ? ? +50040 HETATM C C18 . CLA AZ 33 . ? -6.314 37.973 38.802 1.00 81.60 ? 512 CLA c C18 1 ? ? +50041 HETATM C C19 . CLA AZ 33 . ? -6.543 39.267 39.566 1.00 82.84 ? 512 CLA c C19 1 ? ? +50042 HETATM C C20 . CLA AZ 33 . ? -7.410 37.426 37.901 1.00 81.27 ? 512 CLA c C20 1 ? ? +50043 HETATM C C1 . BCR BA 30 . ? -3.467 44.814 32.381 1.00 77.76 ? 101 BCR y C1 1 ? ? +50044 HETATM C C2 . BCR BA 30 . ? -4.219 46.146 32.322 1.00 78.29 ? 101 BCR y C2 1 ? ? +50045 HETATM C C3 . BCR BA 30 . ? -4.746 46.456 30.980 1.00 77.86 ? 101 BCR y C3 1 ? ? +50046 HETATM C C4 . BCR BA 30 . ? -5.671 45.353 30.489 1.00 77.27 ? 101 BCR y C4 1 ? ? +50047 HETATM C C5 . BCR BA 30 . ? -5.303 43.963 30.928 1.00 76.85 ? 101 BCR y C5 1 ? ? +50048 HETATM C C6 . BCR BA 30 . ? -4.271 43.680 31.756 1.00 77.11 ? 101 BCR y C6 1 ? ? +50049 HETATM C C7 . BCR BA 30 . ? -3.897 42.280 31.943 1.00 76.61 ? 101 BCR y C7 1 ? ? +50050 HETATM C C8 . BCR BA 30 . ? -2.670 41.760 32.253 1.00 76.33 ? 101 BCR y C8 1 ? ? +50051 HETATM C C9 . BCR BA 30 . ? -2.337 40.396 32.373 1.00 75.75 ? 101 BCR y C9 1 ? ? +50052 HETATM C C10 . BCR BA 30 . ? -0.984 40.036 32.422 1.00 75.41 ? 101 BCR y C10 1 ? ? +50053 HETATM C C11 . BCR BA 30 . ? -0.401 38.792 32.464 1.00 74.96 ? 101 BCR y C11 1 ? ? +50054 HETATM C C33 . BCR BA 30 . ? -6.168 42.915 30.280 1.00 76.07 ? 101 BCR y C33 1 ? ? +50055 HETATM C C31 . BCR BA 30 . ? -3.192 44.532 33.868 1.00 78.26 ? 101 BCR y C31 1 ? ? +50056 HETATM C C32 . BCR BA 30 . ? -2.125 44.990 31.648 1.00 77.53 ? 101 BCR y C32 1 ? ? +50057 HETATM C C34 . BCR BA 30 . ? -3.350 39.301 32.473 1.00 75.40 ? 101 BCR y C34 1 ? ? +50058 HETATM C C12 . BCR BA 30 . ? 0.957 38.581 32.303 1.00 74.81 ? 101 BCR y C12 1 ? ? +50059 HETATM C C13 . BCR BA 30 . ? 1.678 37.380 32.209 1.00 74.28 ? 101 BCR y C13 1 ? ? +50060 HETATM C C14 . BCR BA 30 . ? 3.031 37.379 31.848 1.00 74.04 ? 101 BCR y C14 1 ? ? +50061 HETATM C C15 . BCR BA 30 . ? 3.875 36.318 31.607 1.00 73.56 ? 101 BCR y C15 1 ? ? +50062 HETATM C C16 . BCR BA 30 . ? 5.168 36.322 31.140 1.00 73.32 ? 101 BCR y C16 1 ? ? +50063 HETATM C C17 . BCR BA 30 . ? 5.996 35.257 30.925 1.00 73.03 ? 101 BCR y C17 1 ? ? +50064 HETATM C C18 . BCR BA 30 . ? 7.317 35.206 30.443 1.00 73.17 ? 101 BCR y C18 1 ? ? +50065 HETATM C C19 . BCR BA 30 . ? 7.934 33.977 30.224 1.00 72.90 ? 101 BCR y C19 1 ? ? +50066 HETATM C C20 . BCR BA 30 . ? 9.143 33.695 29.649 1.00 73.02 ? 101 BCR y C20 1 ? ? +50067 HETATM C C21 . BCR BA 30 . ? 9.671 32.433 29.632 1.00 73.04 ? 101 BCR y C21 1 ? ? +50068 HETATM C C22 . BCR BA 30 . ? 10.896 31.972 29.150 1.00 73.23 ? 101 BCR y C22 1 ? ? +50069 HETATM C C23 . BCR BA 30 . ? 11.288 30.682 29.504 1.00 73.19 ? 101 BCR y C23 1 ? ? +50070 HETATM C C24 . BCR BA 30 . ? 12.367 30.001 29.055 1.00 73.05 ? 101 BCR y C24 1 ? ? +50071 HETATM C C25 . BCR BA 30 . ? 12.855 28.719 29.509 1.00 73.00 ? 101 BCR y C25 1 ? ? +50072 HETATM C C26 . BCR BA 30 . ? 12.775 28.294 30.789 1.00 73.19 ? 101 BCR y C26 1 ? ? +50073 HETATM C C27 . BCR BA 30 . ? 12.983 26.851 31.156 1.00 73.33 ? 101 BCR y C27 1 ? ? +50074 HETATM C C28 . BCR BA 30 . ? 13.116 25.907 29.966 1.00 72.78 ? 101 BCR y C28 1 ? ? +50075 HETATM C C29 . BCR BA 30 . ? 13.933 26.519 28.887 1.00 72.69 ? 101 BCR y C29 1 ? ? +50076 HETATM C C30 . BCR BA 30 . ? 13.355 27.840 28.376 1.00 72.86 ? 101 BCR y C30 1 ? ? +50077 HETATM C C35 . BCR BA 30 . ? 0.989 36.083 32.485 1.00 74.05 ? 101 BCR y C35 1 ? ? +50078 HETATM C C36 . BCR BA 30 . ? 8.084 36.461 30.202 1.00 73.59 ? 101 BCR y C36 1 ? ? +50079 HETATM C C37 . BCR BA 30 . ? 11.719 32.897 28.313 1.00 73.47 ? 101 BCR y C37 1 ? ? +50080 HETATM C C38 . BCR BA 30 . ? 12.474 29.158 31.983 1.00 73.50 ? 101 BCR y C38 1 ? ? +50081 HETATM C C39 . BCR BA 30 . ? 12.177 27.513 27.445 1.00 72.16 ? 101 BCR y C39 1 ? ? +50082 HETATM C C40 . BCR BA 30 . ? 14.445 28.565 27.562 1.00 73.05 ? 101 BCR y C40 1 ? ? +50083 HETATM C CHA A PHO BB 32 . ? 10.448 -58.928 -32.100 0.40 47.67 ? 416 PHO A CHA 1 ? ? +50084 HETATM C CHA B PHO BB 32 . ? 10.424 -58.967 -32.109 0.60 48.14 ? 416 PHO A CHA 1 ? ? +50085 HETATM C CHB A PHO BB 32 . ? 10.681 -58.419 -36.830 0.40 47.13 ? 416 PHO A CHB 1 ? ? +50086 HETATM C CHB B PHO BB 32 . ? 10.692 -58.460 -36.829 0.60 47.64 ? 416 PHO A CHB 1 ? ? +50087 HETATM C CHC A PHO BB 32 . ? 12.479 -53.945 -36.156 0.40 45.46 ? 416 PHO A CHC 1 ? ? +50088 HETATM C CHC B PHO BB 32 . ? 12.423 -53.961 -36.191 0.60 45.84 ? 416 PHO A CHC 1 ? ? +50089 HETATM C CHD A PHO BB 32 . ? 12.411 -54.457 -31.390 0.40 45.95 ? 416 PHO A CHD 1 ? ? +50090 HETATM C CHD B PHO BB 32 . ? 12.361 -54.484 -31.417 0.60 46.32 ? 416 PHO A CHD 1 ? ? +50091 HETATM N NA A PHO BB 32 . ? 10.641 -58.363 -34.386 0.40 47.29 ? 416 PHO A NA 1 ? ? +50092 HETATM N NA B PHO BB 32 . ? 10.638 -58.386 -34.387 0.60 47.84 ? 416 PHO A NA 1 ? ? +50093 HETATM C C1A A PHO BB 32 . ? 10.265 -59.234 -33.407 0.40 47.73 ? 416 PHO A C1A 1 ? ? +50094 HETATM C C1A B PHO BB 32 . ? 10.252 -59.263 -33.416 0.60 48.26 ? 416 PHO A C1A 1 ? ? +50095 HETATM C C2A A PHO BB 32 . ? 9.649 -60.505 -33.930 0.40 48.29 ? 416 PHO A C2A 1 ? ? +50096 HETATM C C2A B PHO BB 32 . ? 9.633 -60.528 -33.948 0.60 48.91 ? 416 PHO A C2A 1 ? ? +50097 HETATM C C3A A PHO BB 32 . ? 10.051 -60.458 -35.400 0.40 48.12 ? 416 PHO A C3A 1 ? ? +50098 HETATM C C3A B PHO BB 32 . ? 10.040 -60.475 -35.415 0.60 48.78 ? 416 PHO A C3A 1 ? ? +50099 HETATM C C4A A PHO BB 32 . ? 10.463 -59.013 -35.584 0.40 47.47 ? 416 PHO A C4A 1 ? ? +50100 HETATM C C4A B PHO BB 32 . ? 10.469 -59.035 -35.584 0.60 48.04 ? 416 PHO A C4A 1 ? ? +50101 HETATM C CMA A PHO BB 32 . ? 11.176 -61.411 -35.794 0.40 48.39 ? 416 PHO A CMA 1 ? ? +50102 HETATM C CMA B PHO BB 32 . ? 11.151 -61.437 -35.829 0.60 49.13 ? 416 PHO A CMA 1 ? ? +50103 HETATM C CAA A PHO BB 32 . ? 8.142 -60.561 -33.690 0.40 48.55 ? 416 PHO A CAA 1 ? ? +50104 HETATM C CAA B PHO BB 32 . ? 8.127 -60.560 -33.701 0.60 49.17 ? 416 PHO A CAA 1 ? ? +50105 HETATM C CBA A PHO BB 32 . ? 7.492 -61.791 -34.309 0.40 49.14 ? 416 PHO A CBA 1 ? ? +50106 HETATM C CBA B PHO BB 32 . ? 7.457 -61.838 -34.189 0.60 49.82 ? 416 PHO A CBA 1 ? ? +50107 HETATM C CGA A PHO BB 32 . ? 5.995 -61.675 -34.377 0.40 49.37 ? 416 PHO A CGA 1 ? ? +50108 HETATM C CGA B PHO BB 32 . ? 5.964 -61.697 -34.291 0.60 50.08 ? 416 PHO A CGA 1 ? ? +50109 HETATM O O1A A PHO BB 32 . ? 5.364 -60.679 -34.140 0.40 49.07 ? 416 PHO A O1A 1 ? ? +50110 HETATM O O1A B PHO BB 32 . ? 5.343 -60.688 -34.071 0.60 49.75 ? 416 PHO A O1A 1 ? ? +50111 HETATM O O2A A PHO BB 32 . ? 5.440 -62.824 -34.734 0.40 50.02 ? 416 PHO A O2A 1 ? ? +50112 HETATM O O2A B PHO BB 32 . ? 5.407 -62.845 -34.658 0.60 50.82 ? 416 PHO A O2A 1 ? ? +50113 HETATM N NB A PHO BB 32 . ? 11.550 -56.232 -36.158 0.40 46.25 ? 416 PHO A NB 1 ? ? +50114 HETATM N NB B PHO BB 32 . ? 11.514 -56.253 -36.185 0.60 46.67 ? 416 PHO A NB 1 ? ? +50115 HETATM C C1B A PHO BB 32 . ? 11.160 -57.163 -37.098 0.40 46.58 ? 416 PHO A C1B 1 ? ? +50116 HETATM C C1B B PHO BB 32 . ? 11.159 -57.205 -37.115 0.60 47.04 ? 416 PHO A C1B 1 ? ? +50117 HETATM C C2B A PHO BB 32 . ? 11.350 -56.579 -38.379 0.40 46.32 ? 416 PHO A C2B 1 ? ? +50118 HETATM C C2B B PHO BB 32 . ? 11.370 -56.651 -38.407 0.60 46.77 ? 416 PHO A C2B 1 ? ? +50119 HETATM C C3B A PHO BB 32 . ? 11.872 -55.298 -38.190 0.40 45.86 ? 416 PHO A C3B 1 ? ? +50120 HETATM C C3B B PHO BB 32 . ? 11.883 -55.358 -38.236 0.60 46.29 ? 416 PHO A C3B 1 ? ? +50121 HETATM C C4B A PHO BB 32 . ? 11.981 -55.083 -36.789 0.40 45.83 ? 416 PHO A C4B 1 ? ? +50122 HETATM C C4B B PHO BB 32 . ? 11.946 -55.111 -36.828 0.60 46.22 ? 416 PHO A C4B 1 ? ? +50123 HETATM C CMB A PHO BB 32 . ? 11.056 -57.258 -39.684 0.40 46.53 ? 416 PHO A CMB 1 ? ? +50124 HETATM C CMB B PHO BB 32 . ? 11.121 -57.375 -39.697 0.60 47.00 ? 416 PHO A CMB 1 ? ? +50125 HETATM C CAB A PHO BB 32 . ? 12.199 -54.355 -39.250 0.40 45.53 ? 416 PHO A CAB 1 ? ? +50126 HETATM C CAB B PHO BB 32 . ? 12.234 -54.400 -39.287 0.60 45.96 ? 416 PHO A CAB 1 ? ? +50127 HETATM C CBB A PHO BB 32 . ? 11.960 -54.511 -40.523 0.40 45.59 ? 416 PHO A CBB 1 ? ? +50128 HETATM C CBB B PHO BB 32 . ? 11.963 -54.463 -40.565 0.60 45.97 ? 416 PHO A CBB 1 ? ? +50129 HETATM N NC A PHO BB 32 . ? 12.305 -54.558 -33.801 0.40 45.81 ? 416 PHO A NC 1 ? ? +50130 HETATM N NC B PHO BB 32 . ? 12.246 -54.564 -33.831 0.60 46.16 ? 416 PHO A NC 1 ? ? +50131 HETATM C C1C A PHO BB 32 . ? 12.695 -53.717 -34.806 0.40 45.44 ? 416 PHO A C1C 1 ? ? +50132 HETATM C C1C B PHO BB 32 . ? 12.642 -53.727 -34.835 0.60 45.80 ? 416 PHO A C1C 1 ? ? +50133 HETATM C C2C A PHO BB 32 . ? 13.433 -52.586 -34.263 0.40 45.08 ? 416 PHO A C2C 1 ? ? +50134 HETATM C C2C B PHO BB 32 . ? 13.401 -52.610 -34.289 0.60 45.41 ? 416 PHO A C2C 1 ? ? +50135 HETATM C C3C A PHO BB 32 . ? 13.414 -52.717 -32.910 0.40 45.22 ? 416 PHO A C3C 1 ? ? +50136 HETATM C C3C B PHO BB 32 . ? 13.343 -52.719 -32.932 0.60 45.57 ? 416 PHO A C3C 1 ? ? +50137 HETATM C C4C A PHO BB 32 . ? 12.665 -53.934 -32.640 0.40 45.66 ? 416 PHO A C4C 1 ? ? +50138 HETATM C C4C B PHO BB 32 . ? 12.606 -53.946 -32.666 0.60 46.02 ? 416 PHO A C4C 1 ? ? +50139 HETATM C CMC A PHO BB 32 . ? 14.107 -51.507 -35.060 0.40 44.70 ? 416 PHO A CMC 1 ? ? +50140 HETATM C CMC B PHO BB 32 . ? 14.123 -51.563 -35.087 0.60 45.03 ? 416 PHO A CMC 1 ? ? +50141 HETATM C CAC A PHO BB 32 . ? 14.064 -51.834 -31.880 0.40 45.03 ? 416 PHO A CAC 1 ? ? +50142 HETATM C CAC B PHO BB 32 . ? 13.969 -51.824 -31.894 0.60 45.37 ? 416 PHO A CAC 1 ? ? +50143 HETATM C CBC A PHO BB 32 . ? 13.078 -51.286 -30.855 0.40 44.98 ? 416 PHO A CBC 1 ? ? +50144 HETATM C CBC B PHO BB 32 . ? 12.970 -51.259 -30.888 0.60 45.32 ? 416 PHO A CBC 1 ? ? +50145 HETATM N ND A PHO BB 32 . ? 11.450 -56.523 -32.165 0.40 46.68 ? 416 PHO A ND 1 ? ? +50146 HETATM N ND B PHO BB 32 . ? 11.401 -56.559 -32.178 0.60 47.08 ? 416 PHO A ND 1 ? ? +50147 HETATM C C1D A PHO BB 32 . ? 11.873 -55.710 -31.135 0.40 46.45 ? 416 PHO A C1D 1 ? ? +50148 HETATM C C1D B PHO BB 32 . ? 11.829 -55.741 -31.156 0.60 46.85 ? 416 PHO A C1D 1 ? ? +50149 HETATM C C2D A PHO BB 32 . ? 11.711 -56.396 -29.906 0.40 46.83 ? 416 PHO A C2D 1 ? ? +50150 HETATM C C2D B PHO BB 32 . ? 11.684 -56.431 -29.921 0.60 47.25 ? 416 PHO A C2D 1 ? ? +50151 HETATM C C3D A PHO BB 32 . ? 11.133 -57.665 -30.233 0.40 47.29 ? 416 PHO A C3D 1 ? ? +50152 HETATM C C3D B PHO BB 32 . ? 11.112 -57.707 -30.245 0.60 47.73 ? 416 PHO A C3D 1 ? ? +50153 HETATM C C4D A PHO BB 32 . ? 10.992 -57.693 -31.619 0.40 47.19 ? 416 PHO A C4D 1 ? ? +50154 HETATM C C4D B PHO BB 32 . ? 10.955 -57.731 -31.628 0.60 47.62 ? 416 PHO A C4D 1 ? ? +50155 HETATM C CMD A PHO BB 32 . ? 12.061 -55.870 -28.545 0.40 46.76 ? 416 PHO A CMD 1 ? ? +50156 HETATM C CMD B PHO BB 32 . ? 12.044 -55.911 -28.558 0.60 47.17 ? 416 PHO A CMD 1 ? ? +50157 HETATM C CAD A PHO BB 32 . ? 10.663 -58.952 -29.695 0.40 47.88 ? 416 PHO A CAD 1 ? ? +50158 HETATM C CAD B PHO BB 32 . ? 10.659 -59.003 -29.708 0.60 48.33 ? 416 PHO A CAD 1 ? ? +50159 HETATM O OBD A PHO BB 32 . ? 10.663 -59.341 -28.544 0.40 48.16 ? 416 PHO A OBD 1 ? ? +50160 HETATM O OBD B PHO BB 32 . ? 10.669 -59.397 -28.559 0.60 48.62 ? 416 PHO A OBD 1 ? ? +50161 HETATM C CBD A PHO BB 32 . ? 10.193 -59.806 -30.889 0.40 48.15 ? 416 PHO A CBD 1 ? ? +50162 HETATM C CBD B PHO BB 32 . ? 10.203 -59.862 -30.903 0.60 48.61 ? 416 PHO A CBD 1 ? ? +50163 HETATM C CGD A PHO BB 32 . ? 10.983 -61.082 -30.915 0.40 48.63 ? 416 PHO A CGD 1 ? ? +50164 HETATM C CGD B PHO BB 32 . ? 11.019 -61.127 -30.944 0.60 49.11 ? 416 PHO A CGD 1 ? ? +50165 HETATM O O1D A PHO BB 32 . ? 10.645 -62.101 -30.380 0.40 49.11 ? 416 PHO A O1D 1 ? ? +50166 HETATM O O1D B PHO BB 32 . ? 10.658 -62.182 -30.502 0.60 49.58 ? 416 PHO A O1D 1 ? ? +50167 HETATM O O2D A PHO BB 32 . ? 12.148 -60.925 -31.546 0.40 48.53 ? 416 PHO A O2D 1 ? ? +50168 HETATM O O2D B PHO BB 32 . ? 12.222 -60.917 -31.489 0.60 49.05 ? 416 PHO A O2D 1 ? ? +50169 HETATM C CED A PHO BB 32 . ? 13.078 -62.033 -31.469 0.40 48.93 ? 416 PHO A CED 1 ? ? +50170 HETATM C CED B PHO BB 32 . ? 13.154 -62.027 -31.484 0.60 49.46 ? 416 PHO A CED 1 ? ? +50171 HETATM C C1 A PHO BB 32 . ? 4.007 -62.827 -34.867 0.40 50.34 ? 416 PHO A C1 1 ? ? +50172 HETATM C C1 B PHO BB 32 . ? 3.982 -62.860 -34.864 0.60 51.10 ? 416 PHO A C1 1 ? ? +50173 HETATM C C2 A PHO BB 32 . ? 3.629 -62.511 -36.280 0.40 50.28 ? 416 PHO A C2 1 ? ? +50174 HETATM C C2 B PHO BB 32 . ? 3.664 -62.393 -36.257 0.60 50.94 ? 416 PHO A C2 1 ? ? +50175 HETATM C C3 A PHO BB 32 . ? 2.824 -61.510 -36.616 0.40 50.10 ? 416 PHO A C3 1 ? ? +50176 HETATM C C3 B PHO BB 32 . ? 2.799 -61.434 -36.575 0.60 50.76 ? 416 PHO A C3 1 ? ? +50177 HETATM C C4 A PHO BB 32 . ? 2.159 -60.631 -35.601 0.40 49.94 ? 416 PHO A C4 1 ? ? +50178 HETATM C C4 B PHO BB 32 . ? 2.005 -60.677 -35.549 0.60 50.69 ? 416 PHO A C4 1 ? ? +50179 HETATM C C5 A PHO BB 32 . ? 2.566 -61.144 -38.047 0.40 50.02 ? 416 PHO A C5 1 ? ? +50180 HETATM C C5 B PHO BB 32 . ? 2.560 -61.032 -38.003 0.60 50.63 ? 416 PHO A C5 1 ? ? +50181 HETATM C C6 A PHO BB 32 . ? 2.843 -59.703 -38.314 0.40 49.47 ? 416 PHO A C6 1 ? ? +50182 HETATM C C6 B PHO BB 32 . ? 2.781 -59.572 -38.248 0.60 50.06 ? 416 PHO A C6 1 ? ? +50183 HETATM C C7 A PHO BB 32 . ? 2.378 -59.209 -39.668 0.40 49.41 ? 416 PHO A C7 1 ? ? +50184 HETATM C C7 B PHO BB 32 . ? 2.357 -59.107 -39.627 0.60 49.96 ? 416 PHO A C7 1 ? ? +50185 HETATM C C8 A PHO BB 32 . ? 2.898 -57.832 -40.047 0.40 48.85 ? 416 PHO A C8 1 ? ? +50186 HETATM C C8 B PHO BB 32 . ? 2.871 -57.730 -40.029 0.60 49.39 ? 416 PHO A C8 1 ? ? +50187 HETATM C C9 A PHO BB 32 . ? 2.739 -56.848 -38.898 0.40 48.55 ? 416 PHO A C9 1 ? ? +50188 HETATM C C9 B PHO BB 32 . ? 2.675 -56.711 -38.915 0.60 49.08 ? 416 PHO A C9 1 ? ? +50189 HETATM C C10 A PHO BB 32 . ? 2.248 -57.317 -41.330 0.40 48.85 ? 416 PHO A C10 1 ? ? +50190 HETATM C C10 B PHO BB 32 . ? 2.246 -57.249 -41.345 0.60 49.35 ? 416 PHO A C10 1 ? ? +50191 HETATM C C11 A PHO BB 32 . ? 2.344 -58.240 -42.518 0.40 49.21 ? 416 PHO A C11 1 ? ? +50192 HETATM C C11 B PHO BB 32 . ? 2.364 -58.191 -42.521 0.60 49.69 ? 416 PHO A C11 1 ? ? +50193 HETATM C C12 A PHO BB 32 . ? 3.759 -58.532 -42.942 0.40 49.08 ? 416 PHO A C12 1 ? ? +50194 HETATM C C12 B PHO BB 32 . ? 3.787 -58.496 -42.908 0.60 49.55 ? 416 PHO A C12 1 ? ? +50195 HETATM C C13 A PHO BB 32 . ? 3.909 -59.489 -44.118 0.40 49.44 ? 416 PHO A C13 1 ? ? +50196 HETATM C C13 B PHO BB 32 . ? 3.964 -59.441 -44.089 0.60 49.86 ? 416 PHO A C13 1 ? ? +50197 HETATM C C14 A PHO BB 32 . ? 3.608 -60.918 -43.704 0.40 50.01 ? 416 PHO A C14 1 ? ? +50198 HETATM C C14 B PHO BB 32 . ? 3.624 -60.867 -43.698 0.60 50.42 ? 416 PHO A C14 1 ? ? +50199 HETATM C C15 A PHO BB 32 . ? 5.293 -59.366 -44.759 0.40 49.22 ? 416 PHO A C15 1 ? ? +50200 HETATM C C15 B PHO BB 32 . ? 5.379 -59.337 -44.677 0.60 49.64 ? 416 PHO A C15 1 ? ? +50201 HETATM C C16 A PHO BB 32 . ? 5.597 -58.034 -45.399 0.40 48.75 ? 416 PHO A C16 1 ? ? +50202 HETATM C C16 B PHO BB 32 . ? 5.712 -58.024 -45.344 0.60 49.16 ? 416 PHO A C16 1 ? ? +50203 HETATM C C17 A PHO BB 32 . ? 6.956 -57.949 -46.047 0.40 48.56 ? 416 PHO A C17 1 ? ? +50204 HETATM C C17 B PHO BB 32 . ? 7.026 -57.994 -46.078 0.60 48.97 ? 416 PHO A C17 1 ? ? +50205 HETATM C C18 A PHO BB 32 . ? 7.157 -56.760 -46.982 0.40 48.20 ? 416 PHO A C18 1 ? ? +50206 HETATM C C18 B PHO BB 32 . ? 7.162 -56.880 -47.111 0.60 48.65 ? 416 PHO A C18 1 ? ? +50207 HETATM C C19 A PHO BB 32 . ? 8.511 -56.822 -47.669 0.40 48.11 ? 416 PHO A C19 1 ? ? +50208 HETATM C C19 B PHO BB 32 . ? 8.507 -56.941 -47.815 0.60 48.56 ? 416 PHO A C19 1 ? ? +50209 HETATM C C20 A PHO BB 32 . ? 6.999 -55.444 -46.239 0.40 47.76 ? 416 PHO A C20 1 ? ? +50210 HETATM C C20 B PHO BB 32 . ? 6.959 -55.512 -46.478 0.60 48.20 ? 416 PHO A C20 1 ? ? +50211 HETATM C C1 . HTG BC 35 . ? -13.277 -6.478 -23.098 1.00 97.06 ? 622 HTG B C1 1 ? ? +50212 HETATM S S1 . HTG BC 35 . ? -14.496 -6.675 -21.744 1.00 88.63 ? 622 HTG B S1 1 ? ? +50213 HETATM C C2 . HTG BC 35 . ? -13.618 -7.399 -24.296 1.00 94.16 ? 622 HTG B C2 1 ? ? +50214 HETATM O O2 . HTG BC 35 . ? -13.114 -8.709 -24.060 1.00 89.34 ? 622 HTG B O2 1 ? ? +50215 HETATM C C3 . HTG BC 35 . ? -13.008 -6.919 -25.612 1.00 93.46 ? 622 HTG B C3 1 ? ? +50216 HETATM O O3 . HTG BC 35 . ? -13.644 -7.589 -26.698 1.00 87.81 ? 622 HTG B O3 1 ? ? +50217 HETATM C C4 . HTG BC 35 . ? -13.150 -5.429 -25.810 1.00 96.78 ? 622 HTG B C4 1 ? ? +50218 HETATM O O4 . HTG BC 35 . ? -12.422 -5.030 -26.967 1.00 95.12 ? 622 HTG B O4 1 ? ? +50219 HETATM C C5 . HTG BC 35 . ? -12.627 -4.665 -24.603 1.00 99.52 ? 622 HTG B C5 1 ? ? +50220 HETATM O O5 . HTG BC 35 . ? -13.312 -5.091 -23.414 1.00 101.66 ? 622 HTG B O5 1 ? ? +50221 HETATM C C6 . HTG BC 35 . ? -12.892 -3.172 -24.709 1.00 102.48 ? 622 HTG B C6 1 ? ? +50222 HETATM O O6 . HTG BC 35 . ? -14.292 -2.883 -24.551 1.00 104.25 ? 622 HTG B O6 1 ? ? +50223 HETATM C C1' . HTG BC 35 . ? -13.431 -6.347 -20.305 1.00 88.63 ? 622 HTG B C1' 1 ? ? +50224 HETATM C C2' . HTG BC 35 . ? -13.625 -7.446 -19.298 1.00 88.63 ? 622 HTG B C2' 1 ? ? +50225 HETATM C C3' . HTG BC 35 . ? -12.627 -7.394 -18.183 1.00 87.24 ? 622 HTG B C3' 1 ? ? +50226 HETATM C C4' . HTG BC 35 . ? -11.653 -8.533 -18.212 1.00 87.91 ? 622 HTG B C4' 1 ? ? +50227 HETATM C C5' . HTG BC 35 . ? -11.467 -9.227 -16.895 1.00 88.39 ? 622 HTG B C5' 1 ? ? +50228 HETATM C C6' . HTG BC 35 . ? -12.715 -9.832 -16.333 1.00 86.97 ? 622 HTG B C6' 1 ? ? +50229 HETATM C C7' . HTG BC 35 . ? -12.410 -11.012 -15.449 1.00 86.89 ? 622 HTG B C7' 1 ? ? +50230 HETATM C C1A A DGD BD 36 . ? 43.847 -41.873 -55.084 0.40 60.81 ? 517 DGD C C1A 1 ? ? +50231 HETATM C C1A B DGD BD 36 . ? 43.828 -41.831 -55.137 0.60 62.30 ? 517 DGD C C1A 1 ? ? +50232 HETATM C C2A A DGD BD 36 . ? 43.916 -42.052 -53.585 0.40 62.67 ? 517 DGD C C2A 1 ? ? +50233 HETATM C C2A B DGD BD 36 . ? 43.873 -42.009 -53.637 0.60 65.28 ? 517 DGD C C2A 1 ? ? +50234 HETATM C C3A A DGD BD 36 . ? 44.679 -40.912 -52.934 0.40 64.80 ? 517 DGD C C3A 1 ? ? +50235 HETATM C C3A B DGD BD 36 . ? 44.675 -40.908 -52.974 0.60 69.03 ? 517 DGD C C3A 1 ? ? +50236 HETATM C C4A A DGD BD 36 . ? 44.804 -41.156 -51.435 0.40 66.76 ? 517 DGD C C4A 1 ? ? +50237 HETATM C C4A B DGD BD 36 . ? 44.803 -41.167 -51.477 0.60 72.94 ? 517 DGD C C4A 1 ? ? +50238 HETATM C C5A A DGD BD 36 . ? 45.738 -42.329 -51.164 0.40 69.46 ? 517 DGD C C5A 1 ? ? +50239 HETATM C C5A B DGD BD 36 . ? 45.712 -42.357 -51.208 0.60 77.85 ? 517 DGD C C5A 1 ? ? +50240 HETATM C C6A A DGD BD 36 . ? 46.407 -42.191 -49.802 0.40 71.86 ? 517 DGD C C6A 1 ? ? +50241 HETATM C C6A B DGD BD 36 . ? 46.308 -42.294 -49.812 0.60 82.81 ? 517 DGD C C6A 1 ? ? +50242 HETATM C C7A A DGD BD 36 . ? 47.643 -43.077 -49.733 0.40 74.93 ? 517 DGD C C7A 1 ? ? +50243 HETATM C C7A B DGD BD 36 . ? 47.569 -43.138 -49.792 0.60 88.96 ? 517 DGD C C7A 1 ? ? +50244 HETATM C C8A A DGD BD 36 . ? 48.168 -43.190 -48.304 0.40 77.64 ? 517 DGD C C8A 1 ? ? +50245 HETATM C C8A B DGD BD 36 . ? 48.120 -43.277 -48.381 0.60 95.28 ? 517 DGD C C8A 1 ? ? +50246 HETATM C C9A A DGD BD 36 . ? 49.250 -42.149 -48.013 0.40 79.83 ? 517 DGD C C9A 1 ? ? +50247 HETATM C C9A B DGD BD 36 . ? 49.182 -42.226 -48.036 0.60 100.18 ? 517 DGD C C9A 1 ? ? +50248 HETATM C CAA A DGD BD 36 . ? 50.364 -42.747 -47.166 0.40 81.94 ? 517 DGD C CAA 1 ? ? +50249 HETATM C CAA B DGD BD 36 . ? 50.318 -42.814 -47.204 0.60 104.43 ? 517 DGD C CAA 1 ? ? +50250 HETATM C CBA A DGD BD 36 . ? 49.785 -43.706 -46.129 0.40 83.45 ? 517 DGD C CBA 1 ? ? +50251 HETATM C CBA B DGD BD 36 . ? 49.831 -43.719 -46.064 0.60 108.40 ? 517 DGD C CBA 1 ? ? +50252 HETATM C CCA A DGD BD 36 . ? 50.701 -44.913 -45.935 0.40 86.01 ? 517 DGD C CCA 1 ? ? +50253 HETATM C CCA B DGD BD 36 . ? 50.694 -44.975 -45.952 0.60 113.79 ? 517 DGD C CCA 1 ? ? +50254 HETATM C CDA A DGD BD 36 . ? 49.929 -46.103 -45.365 0.40 86.74 ? 517 DGD C CDA 1 ? ? +50255 HETATM C CDA B DGD BD 36 . ? 49.954 -46.132 -45.280 0.60 115.64 ? 517 DGD C CDA 1 ? ? +50256 HETATM C CEA A DGD BD 36 . ? 50.889 -47.142 -44.788 0.40 87.55 ? 517 DGD C CEA 1 ? ? +50257 HETATM C CEA B DGD BD 36 . ? 50.955 -47.174 -44.773 0.60 115.99 ? 517 DGD C CEA 1 ? ? +50258 HETATM C CFA A DGD BD 36 . ? 50.346 -48.563 -44.917 0.40 87.50 ? 517 DGD C CFA 1 ? ? +50259 HETATM C CFA B DGD BD 36 . ? 50.460 -48.613 -44.918 0.60 115.58 ? 517 DGD C CFA 1 ? ? +50260 HETATM C CGA A DGD BD 36 . ? 51.464 -49.589 -44.761 0.40 88.17 ? 517 DGD C CGA 1 ? ? +50261 HETATM C CGA B DGD BD 36 . ? 51.609 -49.611 -44.784 0.60 115.05 ? 517 DGD C CGA 1 ? ? +50262 HETATM O O1A A DGD BD 36 . ? 43.674 -40.786 -55.630 0.40 59.85 ? 517 DGD C O1A 1 ? ? +50263 HETATM O O1A B DGD BD 36 . ? 43.659 -40.748 -55.705 0.60 60.67 ? 517 DGD C O1A 1 ? ? +50264 HETATM C C1B A DGD BD 36 . ? 46.966 -44.980 -56.614 0.40 59.22 ? 517 DGD C C1B 1 ? ? +50265 HETATM C C1B B DGD BD 36 . ? 47.072 -45.039 -56.706 0.60 60.76 ? 517 DGD C C1B 1 ? ? +50266 HETATM C C2B A DGD BD 36 . ? 47.398 -46.350 -56.175 0.40 59.90 ? 517 DGD C C2B 1 ? ? +50267 HETATM C C2B B DGD BD 36 . ? 47.412 -46.392 -56.151 0.60 61.90 ? 517 DGD C C2B 1 ? ? +50268 HETATM C C3B A DGD BD 36 . ? 46.265 -46.942 -55.364 0.40 59.96 ? 517 DGD C C3B 1 ? ? +50269 HETATM C C3B B DGD BD 36 . ? 46.281 -46.892 -55.271 0.60 62.46 ? 517 DGD C C3B 1 ? ? +50270 HETATM C C4B A DGD BD 36 . ? 46.291 -46.387 -53.947 0.40 60.29 ? 517 DGD C C4B 1 ? ? +50271 HETATM C C4B B DGD BD 36 . ? 46.388 -46.317 -53.864 0.60 63.33 ? 517 DGD C C4B 1 ? ? +50272 HETATM C C5B A DGD BD 36 . ? 45.437 -47.270 -53.050 0.40 60.52 ? 517 DGD C C5B 1 ? ? +50273 HETATM C C5B B DGD BD 36 . ? 45.496 -47.112 -52.919 0.60 64.04 ? 517 DGD C C5B 1 ? ? +50274 HETATM C C6B A DGD BD 36 . ? 44.019 -46.740 -52.955 0.40 60.39 ? 517 DGD C C6B 1 ? ? +50275 HETATM C C6B B DGD BD 36 . ? 44.063 -46.600 -52.916 0.60 64.43 ? 517 DGD C C6B 1 ? ? +50276 HETATM C C7B A DGD BD 36 . ? 43.698 -46.413 -51.503 0.40 60.61 ? 517 DGD C C7B 1 ? ? +50277 HETATM C C7B B DGD BD 36 . ? 43.598 -46.297 -51.492 0.60 65.15 ? 517 DGD C C7B 1 ? ? +50278 HETATM C C8B A DGD BD 36 . ? 42.498 -47.214 -51.017 0.40 60.71 ? 517 DGD C C8B 1 ? ? +50279 HETATM C C8B B DGD BD 36 . ? 42.648 -47.372 -50.980 0.60 65.77 ? 517 DGD C C8B 1 ? ? +50280 HETATM C C9B A DGD BD 36 . ? 42.505 -47.305 -49.494 0.40 60.94 ? 517 DGD C C9B 1 ? ? +50281 HETATM C C9B B DGD BD 36 . ? 42.591 -47.366 -49.456 0.60 66.15 ? 517 DGD C C9B 1 ? ? +50282 HETATM C CAB A DGD BD 36 . ? 41.347 -48.173 -49.006 0.40 60.86 ? 517 DGD C CAB 1 ? ? +50283 HETATM C CAB B DGD BD 36 . ? 41.448 -48.253 -48.961 0.60 66.17 ? 517 DGD C CAB 1 ? ? +50284 HETATM C CBB A DGD BD 36 . ? 41.263 -48.142 -47.486 0.40 60.82 ? 517 DGD C CBB 1 ? ? +50285 HETATM C CBB B DGD BD 36 . ? 41.352 -48.206 -47.444 0.60 66.15 ? 517 DGD C CBB 1 ? ? +50286 HETATM C CCB A DGD BD 36 . ? 40.089 -48.941 -46.935 0.40 60.67 ? 517 DGD C CCB 1 ? ? +50287 HETATM C CCB B DGD BD 36 . ? 40.162 -48.989 -46.900 0.60 66.02 ? 517 DGD C CCB 1 ? ? +50288 HETATM C CDB A DGD BD 36 . ? 40.202 -48.901 -45.418 0.40 60.91 ? 517 DGD C CDB 1 ? ? +50289 HETATM C CDB B DGD BD 36 . ? 40.265 -48.952 -45.382 0.60 66.44 ? 517 DGD C CDB 1 ? ? +50290 HETATM C CEB A DGD BD 36 . ? 39.113 -49.679 -44.688 0.40 60.94 ? 517 DGD C CEB 1 ? ? +50291 HETATM C CEB B DGD BD 36 . ? 39.099 -49.622 -44.657 0.60 66.62 ? 517 DGD C CEB 1 ? ? +50292 HETATM C CFB A DGD BD 36 . ? 39.325 -49.494 -43.186 0.40 61.05 ? 517 DGD C CFB 1 ? ? +50293 HETATM C CFB B DGD BD 36 . ? 39.355 -49.503 -43.151 0.60 66.79 ? 517 DGD C CFB 1 ? ? +50294 HETATM C CGB A DGD BD 36 . ? 38.346 -50.326 -42.369 0.40 60.91 ? 517 DGD C CGB 1 ? ? +50295 HETATM C CGB B DGD BD 36 . ? 38.434 -50.383 -42.318 0.60 66.42 ? 517 DGD C CGB 1 ? ? +50296 HETATM O O1B A DGD BD 36 . ? 47.669 -44.001 -56.432 0.40 59.47 ? 517 DGD C O1B 1 ? ? +50297 HETATM O O1B B DGD BD 36 . ? 47.913 -44.153 -56.730 0.60 61.03 ? 517 DGD C O1B 1 ? ? +50298 HETATM O O1G A DGD BD 36 . ? 44.005 -43.068 -55.889 0.40 59.02 ? 517 DGD C O1G 1 ? ? +50299 HETATM O O1G B DGD BD 36 . ? 44.018 -43.056 -55.893 0.60 59.84 ? 517 DGD C O1G 1 ? ? +50300 HETATM C C1G A DGD BD 36 . ? 44.162 -42.945 -57.292 0.40 58.02 ? 517 DGD C C1G 1 ? ? +50301 HETATM C C1G B DGD BD 36 . ? 44.118 -43.043 -57.306 0.60 58.51 ? 517 DGD C C1G 1 ? ? +50302 HETATM C C2G A DGD BD 36 . ? 45.537 -43.462 -57.669 0.40 57.77 ? 517 DGD C C2G 1 ? ? +50303 HETATM C C2G B DGD BD 36 . ? 45.519 -43.479 -57.678 0.60 58.05 ? 517 DGD C C2G 1 ? ? +50304 HETATM O O2G A DGD BD 36 . ? 45.687 -44.811 -57.258 0.40 58.29 ? 517 DGD C O2G 1 ? ? +50305 HETATM O O2G B DGD BD 36 . ? 45.740 -44.805 -57.221 0.60 59.05 ? 517 DGD C O2G 1 ? ? +50306 HETATM C C3G A DGD BD 36 . ? 45.664 -43.332 -59.171 0.40 57.13 ? 517 DGD C C3G 1 ? ? +50307 HETATM C C3G B DGD BD 36 . ? 45.634 -43.386 -59.182 0.60 57.01 ? 517 DGD C C3G 1 ? ? +50308 HETATM O O3G A DGD BD 36 . ? 45.448 -41.955 -59.416 0.40 55.92 ? 517 DGD C O3G 1 ? ? +50309 HETATM O O3G B DGD BD 36 . ? 45.509 -42.001 -59.436 0.60 55.49 ? 517 DGD C O3G 1 ? ? +50310 HETATM C C1D A DGD BD 36 . ? 45.030 -41.651 -60.727 0.40 55.20 ? 517 DGD C C1D 1 ? ? +50311 HETATM C C1D B DGD BD 36 . ? 45.017 -41.661 -60.704 0.60 54.47 ? 517 DGD C C1D 1 ? ? +50312 HETATM C C2D A DGD BD 36 . ? 44.870 -40.141 -60.766 0.40 54.74 ? 517 DGD C C2D 1 ? ? +50313 HETATM C C2D B DGD BD 36 . ? 44.865 -40.151 -60.699 0.60 53.94 ? 517 DGD C C2D 1 ? ? +50314 HETATM O O2D A DGD BD 36 . ? 43.831 -39.756 -59.858 0.40 54.11 ? 517 DGD C O2D 1 ? ? +50315 HETATM O O2D B DGD BD 36 . ? 43.843 -39.783 -59.764 0.60 53.30 ? 517 DGD C O2D 1 ? ? +50316 HETATM C C3D A DGD BD 36 . ? 44.600 -39.674 -62.183 0.40 54.69 ? 517 DGD C C3D 1 ? ? +50317 HETATM C C3D B DGD BD 36 . ? 44.604 -39.660 -62.113 0.60 53.81 ? 517 DGD C C3D 1 ? ? +50318 HETATM O O3D A DGD BD 36 . ? 44.599 -38.254 -62.268 0.40 54.55 ? 517 DGD C O3D 1 ? ? +50319 HETATM O O3D B DGD BD 36 . ? 44.598 -38.245 -62.199 0.60 53.64 ? 517 DGD C O3D 1 ? ? +50320 HETATM C C4D A DGD BD 36 . ? 45.711 -40.185 -63.066 0.40 55.34 ? 517 DGD C C4D 1 ? ? +50321 HETATM C C4D B DGD BD 36 . ? 45.722 -40.135 -63.006 0.60 54.43 ? 517 DGD C C4D 1 ? ? +50322 HETATM O O4D A DGD BD 36 . ? 46.968 -39.651 -62.613 0.40 55.76 ? 517 DGD C O4D 1 ? ? +50323 HETATM O O4D B DGD BD 36 . ? 46.984 -39.609 -62.537 0.60 54.85 ? 517 DGD C O4D 1 ? ? +50324 HETATM C C5D A DGD BD 36 . ? 45.754 -41.700 -62.994 0.40 55.44 ? 517 DGD C C5D 1 ? ? +50325 HETATM C C5D B DGD BD 36 . ? 45.751 -41.653 -62.983 0.60 54.49 ? 517 DGD C C5D 1 ? ? +50326 HETATM O O5D A DGD BD 36 . ? 46.283 -42.367 -65.232 0.40 55.83 ? 517 DGD C O5D 1 ? ? +50327 HETATM O O5D B DGD BD 36 . ? 46.328 -42.339 -65.190 0.60 54.68 ? 517 DGD C O5D 1 ? ? +50328 HETATM C C6D A DGD BD 36 . ? 46.836 -42.221 -63.927 0.40 55.98 ? 517 DGD C C6D 1 ? ? +50329 HETATM C C6D B DGD BD 36 . ? 46.862 -42.171 -63.880 0.60 54.95 ? 517 DGD C C6D 1 ? ? +50330 HETATM O O6D A DGD BD 36 . ? 46.007 -42.114 -61.652 0.40 55.54 ? 517 DGD C O6D 1 ? ? +50331 HETATM O O6D B DGD BD 36 . ? 45.964 -42.125 -61.655 0.60 54.71 ? 517 DGD C O6D 1 ? ? +50332 HETATM C C1E A DGD BD 36 . ? 47.013 -41.616 -66.191 0.40 56.09 ? 517 DGD C C1E 1 ? ? +50333 HETATM C C1E B DGD BD 36 . ? 47.070 -41.685 -66.210 0.60 54.85 ? 517 DGD C C1E 1 ? ? +50334 HETATM C C2E A DGD BD 36 . ? 46.026 -41.017 -67.156 0.40 55.79 ? 517 DGD C C2E 1 ? ? +50335 HETATM C C2E B DGD BD 36 . ? 46.072 -41.082 -67.159 0.60 54.49 ? 517 DGD C C2E 1 ? ? +50336 HETATM O O2E A DGD BD 36 . ? 45.234 -40.055 -66.458 0.40 55.22 ? 517 DGD C O2E 1 ? ? +50337 HETATM O O2E B DGD BD 36 . ? 45.296 -40.137 -66.427 0.60 53.92 ? 517 DGD C O2E 1 ? ? +50338 HETATM C C3E A DGD BD 36 . ? 45.153 -42.131 -67.703 0.40 55.61 ? 517 DGD C C3E 1 ? ? +50339 HETATM C C3E B DGD BD 36 . ? 45.175 -42.173 -67.721 0.60 54.24 ? 517 DGD C C3E 1 ? ? +50340 HETATM O O3E A DGD BD 36 . ? 44.267 -41.592 -68.689 0.40 55.41 ? 517 DGD C O3E 1 ? ? +50341 HETATM O O3E B DGD BD 36 . ? 44.280 -41.597 -68.674 0.60 53.97 ? 517 DGD C O3E 1 ? ? +50342 HETATM C C4E A DGD BD 36 . ? 46.017 -43.201 -68.342 0.40 56.25 ? 517 DGD C C4E 1 ? ? +50343 HETATM C C4E B DGD BD 36 . ? 46.021 -43.229 -68.398 0.60 54.91 ? 517 DGD C C4E 1 ? ? +50344 HETATM O O4E A DGD BD 36 . ? 46.472 -42.689 -69.598 0.40 56.74 ? 517 DGD C O4E 1 ? ? +50345 HETATM O O4E B DGD BD 36 . ? 46.514 -42.657 -69.614 0.60 55.40 ? 517 DGD C O4E 1 ? ? +50346 HETATM C C5E A DGD BD 36 . ? 47.214 -43.605 -67.473 0.40 56.60 ? 517 DGD C C5E 1 ? ? +50347 HETATM C C5E B DGD BD 36 . ? 47.176 -43.709 -67.503 0.60 55.26 ? 517 DGD C C5E 1 ? ? +50348 HETATM O O6E A DGD BD 36 . ? 47.881 -42.480 -66.909 0.40 56.70 ? 517 DGD C O6E 1 ? ? +50349 HETATM O O6E B DGD BD 36 . ? 47.885 -42.630 -66.896 0.60 55.41 ? 517 DGD C O6E 1 ? ? +50350 HETATM C C6E A DGD BD 36 . ? 48.238 -44.381 -68.283 0.40 57.30 ? 517 DGD C C6E 1 ? ? +50351 HETATM C C6E B DGD BD 36 . ? 48.206 -44.525 -68.261 0.60 55.93 ? 517 DGD C C6E 1 ? ? +50352 HETATM O O5E A DGD BD 36 . ? 47.565 -45.424 -68.981 0.40 57.35 ? 517 DGD C O5E 1 ? ? +50353 HETATM O O5E B DGD BD 36 . ? 47.522 -45.476 -69.067 0.60 55.98 ? 517 DGD C O5E 1 ? ? +50354 HETATM C C1A . DGD BE 36 . ? -11.760 -45.053 -40.392 1.00 53.04 ? 102 DGD H C1A 1 ? ? +50355 HETATM C C2A . DGD BE 36 . ? -11.480 -46.513 -40.270 1.00 54.25 ? 102 DGD H C2A 1 ? ? +50356 HETATM C C3A . DGD BE 36 . ? -11.074 -46.843 -38.854 1.00 55.30 ? 102 DGD H C3A 1 ? ? +50357 HETATM C C4A . DGD BE 36 . ? -10.525 -48.266 -38.791 1.00 56.97 ? 102 DGD H C4A 1 ? ? +50358 HETATM C C5A . DGD BE 36 . ? -10.035 -48.591 -37.382 1.00 58.07 ? 102 DGD H C5A 1 ? ? +50359 HETATM C C6A . DGD BE 36 . ? -9.340 -49.940 -37.351 1.00 59.35 ? 102 DGD H C6A 1 ? ? +50360 HETATM C C7A . DGD BE 36 . ? -9.397 -50.510 -35.933 1.00 60.61 ? 102 DGD H C7A 1 ? ? +50361 HETATM C C8A . DGD BE 36 . ? -8.399 -51.648 -35.741 1.00 61.20 ? 102 DGD H C8A 1 ? ? +50362 HETATM C C9A . DGD BE 36 . ? -7.887 -51.708 -34.309 1.00 61.34 ? 102 DGD H C9A 1 ? ? +50363 HETATM C CAA . DGD BE 36 . ? -6.375 -51.977 -34.291 1.00 61.18 ? 102 DGD H CAA 1 ? ? +50364 HETATM C CBA . DGD BE 36 . ? -5.854 -51.597 -32.912 1.00 60.98 ? 102 DGD H CBA 1 ? ? +50365 HETATM C CCA . DGD BE 36 . ? -4.357 -51.721 -32.871 1.00 60.79 ? 102 DGD H CCA 1 ? ? +50366 HETATM C CDA . DGD BE 36 . ? -3.828 -51.537 -31.445 1.00 60.75 ? 102 DGD H CDA 1 ? ? +50367 HETATM C CEA . DGD BE 36 . ? -3.950 -50.103 -30.915 1.00 59.84 ? 102 DGD H CEA 1 ? ? +50368 HETATM C CFA . DGD BE 36 . ? -2.682 -49.693 -30.152 1.00 58.83 ? 102 DGD H CFA 1 ? ? +50369 HETATM C CGA . DGD BE 36 . ? -2.422 -48.187 -30.156 1.00 57.43 ? 102 DGD H CGA 1 ? ? +50370 HETATM O O1A . DGD BE 36 . ? -11.621 -44.284 -39.471 1.00 52.28 ? 102 DGD H O1A 1 ? ? +50371 HETATM C C1B . DGD BE 36 . ? -14.638 -43.845 -39.503 1.00 52.83 ? 102 DGD H C1B 1 ? ? +50372 HETATM C C2B . DGD BE 36 . ? -14.748 -43.736 -38.010 1.00 53.17 ? 102 DGD H C2B 1 ? ? +50373 HETATM C C3B . DGD BE 36 . ? -14.341 -42.331 -37.592 1.00 53.16 ? 102 DGD H C3B 1 ? ? +50374 HETATM C C4B . DGD BE 36 . ? -14.519 -42.079 -36.096 1.00 53.86 ? 102 DGD H C4B 1 ? ? +50375 HETATM C C5B . DGD BE 36 . ? -13.626 -42.944 -35.215 1.00 54.53 ? 102 DGD H C5B 1 ? ? +50376 HETATM C C6B . DGD BE 36 . ? -12.171 -42.652 -35.541 1.00 54.80 ? 102 DGD H C6B 1 ? ? +50377 HETATM C C7B . DGD BE 36 . ? -11.304 -43.134 -34.404 1.00 55.76 ? 102 DGD H C7B 1 ? ? +50378 HETATM C C8B . DGD BE 36 . ? -10.324 -44.194 -34.852 1.00 56.67 ? 102 DGD H C8B 1 ? ? +50379 HETATM C C9B . DGD BE 36 . ? -9.281 -43.592 -35.780 1.00 57.53 ? 102 DGD H C9B 1 ? ? +50380 HETATM C CAB . DGD BE 36 . ? -8.393 -42.580 -35.078 1.00 58.33 ? 102 DGD H CAB 1 ? ? +50381 HETATM C CBB . DGD BE 36 . ? -7.220 -42.187 -35.957 1.00 59.13 ? 102 DGD H CBB 1 ? ? +50382 HETATM C CCB . DGD BE 36 . ? -7.092 -40.672 -36.083 1.00 60.23 ? 102 DGD H CCB 1 ? ? +50383 HETATM C CDB . DGD BE 36 . ? -6.657 -40.310 -37.500 1.00 60.76 ? 102 DGD H CDB 1 ? ? +50384 HETATM C CEB . DGD BE 36 . ? -6.617 -38.805 -37.732 1.00 60.02 ? 102 DGD H CEB 1 ? ? +50385 HETATM C CFB . DGD BE 36 . ? -5.316 -38.409 -38.377 1.00 59.74 ? 102 DGD H CFB 1 ? ? +50386 HETATM C CGB . DGD BE 36 . ? -4.127 -38.410 -37.414 1.00 59.23 ? 102 DGD H CGB 1 ? ? +50387 HETATM O O1B . DGD BE 36 . ? -14.750 -44.889 -40.120 1.00 52.99 ? 102 DGD H O1B 1 ? ? +50388 HETATM O O1G . DGD BE 36 . ? -12.222 -44.545 -41.650 1.00 52.71 ? 102 DGD H O1G 1 ? ? +50389 HETATM C C1G . DGD BE 36 . ? -12.558 -43.162 -41.786 1.00 52.44 ? 102 DGD H C1G 1 ? ? +50390 HETATM C C2G . DGD BE 36 . ? -14.067 -42.897 -41.590 1.00 52.86 ? 102 DGD H C2G 1 ? ? +50391 HETATM O O2G . DGD BE 36 . ? -14.395 -42.644 -40.234 1.00 52.44 ? 102 DGD H O2G 1 ? ? +50392 HETATM C C3G . DGD BE 36 . ? -14.442 -41.643 -42.342 1.00 52.96 ? 102 DGD H C3G 1 ? ? +50393 HETATM O O3G . DGD BE 36 . ? -14.403 -41.973 -43.718 1.00 53.58 ? 102 DGD H O3G 1 ? ? +50394 HETATM C C1D . DGD BE 36 . ? -13.852 -40.936 -44.499 1.00 54.06 ? 102 DGD H C1D 1 ? ? +50395 HETATM C C2D . DGD BE 36 . ? -13.772 -41.425 -45.916 1.00 54.48 ? 102 DGD H C2D 1 ? ? +50396 HETATM O O2D . DGD BE 36 . ? -12.993 -42.611 -45.950 1.00 54.31 ? 102 DGD H O2D 1 ? ? +50397 HETATM C C3D . DGD BE 36 . ? -13.118 -40.357 -46.754 1.00 54.52 ? 102 DGD H C3D 1 ? ? +50398 HETATM O O3D . DGD BE 36 . ? -13.041 -40.863 -48.077 1.00 54.96 ? 102 DGD H O3D 1 ? ? +50399 HETATM C C4D . DGD BE 36 . ? -13.887 -39.052 -46.673 1.00 54.95 ? 102 DGD H C4D 1 ? ? +50400 HETATM O O4D . DGD BE 36 . ? -15.175 -39.222 -47.279 1.00 56.06 ? 102 DGD H O4D 1 ? ? +50401 HETATM C C5D . DGD BE 36 . ? -14.034 -38.657 -45.213 1.00 55.36 ? 102 DGD H C5D 1 ? ? +50402 HETATM O O5D . DGD BE 36 . ? -16.232 -37.726 -45.382 1.00 59.47 ? 102 DGD H O5D 1 ? ? +50403 HETATM C C6D . DGD BE 36 . ? -14.883 -37.402 -45.016 1.00 56.69 ? 102 DGD H C6D 1 ? ? +50404 HETATM O O6D . DGD BE 36 . ? -14.629 -39.744 -44.477 1.00 54.93 ? 102 DGD H O6D 1 ? ? +50405 HETATM C C1E . DGD BE 36 . ? -17.181 -36.654 -45.178 1.00 61.89 ? 102 DGD H C1E 1 ? ? +50406 HETATM C C2E . DGD BE 36 . ? -18.603 -37.155 -45.475 1.00 63.04 ? 102 DGD H C2E 1 ? ? +50407 HETATM O O2E . DGD BE 36 . ? -18.768 -38.443 -44.889 1.00 63.19 ? 102 DGD H O2E 1 ? ? +50408 HETATM C C3E . DGD BE 36 . ? -18.868 -37.284 -46.975 1.00 64.76 ? 102 DGD H C3E 1 ? ? +50409 HETATM O O3E . DGD BE 36 . ? -20.254 -37.527 -47.316 1.00 65.55 ? 102 DGD H O3E 1 ? ? +50410 HETATM C C4E . DGD BE 36 . ? -18.446 -35.993 -47.653 1.00 65.71 ? 102 DGD H C4E 1 ? ? +50411 HETATM O O4E . DGD BE 36 . ? -19.279 -34.923 -47.140 1.00 67.53 ? 102 DGD H O4E 1 ? ? +50412 HETATM C C5E . DGD BE 36 . ? -16.964 -35.774 -47.391 1.00 64.41 ? 102 DGD H C5E 1 ? ? +50413 HETATM O O6E . DGD BE 36 . ? -16.822 -35.513 -45.998 1.00 62.78 ? 102 DGD H O6E 1 ? ? +50414 HETATM C C6E . DGD BE 36 . ? -16.374 -34.650 -48.206 1.00 64.89 ? 102 DGD H C6E 1 ? ? +50415 HETATM O O5E . DGD BE 36 . ? -16.530 -33.429 -47.497 1.00 65.91 ? 102 DGD H O5E 1 ? ? +50416 HETATM C C1 . BCR BF 30 . ? -15.532 -11.747 7.978 1.00 53.94 ? 408 BCR a C1 1 ? ? +50417 HETATM C C2 . BCR BF 30 . ? -16.249 -11.955 9.308 1.00 54.70 ? 408 BCR a C2 1 ? ? +50418 HETATM C C3 . BCR BF 30 . ? -17.622 -11.388 9.313 1.00 55.23 ? 408 BCR a C3 1 ? ? +50419 HETATM C C4 . BCR BF 30 . ? -18.474 -12.059 8.246 1.00 55.20 ? 408 BCR a C4 1 ? ? +50420 HETATM C C5 . BCR BF 30 . ? -17.782 -12.189 6.918 1.00 54.44 ? 408 BCR a C5 1 ? ? +50421 HETATM C C6 . BCR BF 30 . ? -16.447 -12.001 6.796 1.00 53.74 ? 408 BCR a C6 1 ? ? +50422 HETATM C C7 . BCR BF 30 . ? -15.750 -12.045 5.536 1.00 52.92 ? 408 BCR a C7 1 ? ? +50423 HETATM C C8 . BCR BF 30 . ? -16.166 -11.526 4.352 1.00 52.52 ? 408 BCR a C8 1 ? ? +50424 HETATM C C9 . BCR BF 30 . ? -15.482 -11.542 3.141 1.00 51.74 ? 408 BCR a C9 1 ? ? +50425 HETATM C C10 . BCR BF 30 . ? -15.867 -10.666 2.112 1.00 51.33 ? 408 BCR a C10 1 ? ? +50426 HETATM C C11 . BCR BF 30 . ? -15.339 -10.562 0.836 1.00 50.65 ? 408 BCR a C11 1 ? ? +50427 HETATM C C33 . BCR BF 30 . ? -18.733 -12.537 5.800 1.00 54.37 ? 408 BCR a C33 1 ? ? +50428 HETATM C C31 . BCR BF 30 . ? -14.285 -12.647 7.928 1.00 53.59 ? 408 BCR a C31 1 ? ? +50429 HETATM C C32 . BCR BF 30 . ? -15.062 -10.284 7.941 1.00 53.78 ? 408 BCR a C32 1 ? ? +50430 HETATM C C34 . BCR BF 30 . ? -14.332 -12.478 2.866 1.00 51.27 ? 408 BCR a C34 1 ? ? +50431 HETATM C C12 . BCR BF 30 . ? -15.619 -9.571 -0.072 1.00 50.31 ? 408 BCR a C12 1 ? ? +50432 HETATM C C13 . BCR BF 30 . ? -15.212 -9.429 -1.401 1.00 49.61 ? 408 BCR a C13 1 ? ? +50433 HETATM C C14 . BCR BF 30 . ? -15.597 -8.297 -2.148 1.00 49.41 ? 408 BCR a C14 1 ? ? +50434 HETATM C C15 . BCR BF 30 . ? -15.323 -7.952 -3.453 1.00 48.86 ? 408 BCR a C15 1 ? ? +50435 HETATM C C16 . BCR BF 30 . ? -15.700 -6.843 -4.185 1.00 48.69 ? 408 BCR a C16 1 ? ? +50436 HETATM C C17 . BCR BF 30 . ? -15.275 -6.501 -5.448 1.00 48.18 ? 408 BCR a C17 1 ? ? +50437 HETATM C C18 . BCR BF 30 . ? -15.609 -5.411 -6.251 1.00 48.08 ? 408 BCR a C18 1 ? ? +50438 HETATM C C19 . BCR BF 30 . ? -14.999 -5.222 -7.495 1.00 47.56 ? 408 BCR a C19 1 ? ? +50439 HETATM C C20 . BCR BF 30 . ? -15.299 -4.329 -8.482 1.00 47.52 ? 408 BCR a C20 1 ? ? +50440 HETATM C C21 . BCR BF 30 . ? -14.737 -4.225 -9.727 1.00 47.12 ? 408 BCR a C21 1 ? ? +50441 HETATM C C22 . BCR BF 30 . ? -15.240 -3.597 -10.885 1.00 47.20 ? 408 BCR a C22 1 ? ? +50442 HETATM C C23 . BCR BF 30 . ? -14.457 -3.531 -12.037 1.00 46.80 ? 408 BCR a C23 1 ? ? +50443 HETATM C C24 . BCR BF 30 . ? -14.935 -3.359 -13.300 1.00 46.87 ? 408 BCR a C24 1 ? ? +50444 HETATM C C25 . BCR BF 30 . ? -14.193 -3.164 -14.533 1.00 46.50 ? 408 BCR a C25 1 ? ? +50445 HETATM C C26 . BCR BF 30 . ? -13.055 -2.440 -14.610 1.00 46.14 ? 408 BCR a C26 1 ? ? +50446 HETATM C C27 . BCR BF 30 . ? -12.316 -2.315 -15.908 1.00 45.82 ? 408 BCR a C27 1 ? ? +50447 HETATM C C28 . BCR BF 30 . ? -12.574 -3.476 -16.864 1.00 45.74 ? 408 BCR a C28 1 ? ? +50448 HETATM C C29 . BCR BF 30 . ? -14.040 -3.715 -17.025 1.00 46.16 ? 408 BCR a C29 1 ? ? +50449 HETATM C C30 . BCR BF 30 . ? -14.740 -3.981 -15.695 1.00 46.53 ? 408 BCR a C30 1 ? ? +50450 HETATM C C35 . BCR BF 30 . ? -14.415 -10.507 -2.039 1.00 49.14 ? 408 BCR a C35 1 ? ? +50451 HETATM C C36 . BCR BF 30 . ? -16.656 -4.447 -5.780 1.00 48.63 ? 408 BCR a C36 1 ? ? +50452 HETATM C C37 . BCR BF 30 . ? -16.638 -3.031 -10.849 1.00 47.74 ? 408 BCR a C37 1 ? ? +50453 HETATM C C38 . BCR BF 30 . ? -12.419 -1.667 -13.489 1.00 46.06 ? 408 BCR a C38 1 ? ? +50454 HETATM C C39 . BCR BF 30 . ? -14.525 -5.475 -15.415 1.00 46.40 ? 408 BCR a C39 1 ? ? +50455 HETATM C C40 . BCR BF 30 . ? -16.254 -3.733 -15.854 1.00 47.16 ? 408 BCR a C40 1 ? ? +50456 HETATM MG MG . CLA BG 33 . ? 51.464 -22.596 -11.470 1.00 59.30 ? 616 CLA b MG 1 ? ? +50457 HETATM C CHA . CLA BG 33 . ? 53.226 -25.549 -11.828 1.00 60.77 ? 616 CLA b CHA 1 ? ? +50458 HETATM C CHB . CLA BG 33 . ? 50.746 -22.686 -14.779 1.00 58.50 ? 616 CLA b CHB 1 ? ? +50459 HETATM C CHC . CLA BG 33 . ? 50.883 -19.172 -11.401 1.00 58.04 ? 616 CLA b CHC 1 ? ? +50460 HETATM C CHD . CLA BG 33 . ? 53.307 -22.062 -8.325 1.00 60.48 ? 616 CLA b CHD 1 ? ? +50461 HETATM N NA . CLA BG 33 . ? 51.873 -23.879 -12.981 1.00 60.09 ? 616 CLA b NA 1 ? ? +50462 HETATM C C1A . CLA BG 33 . ? 52.401 -25.063 -12.928 1.00 60.79 ? 616 CLA b C1A 1 ? ? +50463 HETATM C C2A . CLA BG 33 . ? 52.141 -25.933 -14.135 1.00 61.61 ? 616 CLA b C2A 1 ? ? +50464 HETATM C C3A . CLA BG 33 . ? 51.504 -24.955 -15.090 1.00 60.41 ? 616 CLA b C3A 1 ? ? +50465 HETATM C C4A . CLA BG 33 . ? 51.365 -23.738 -14.234 1.00 59.82 ? 616 CLA b C4A 1 ? ? +50466 HETATM C CMA . CLA BG 33 . ? 52.397 -24.692 -16.301 1.00 60.80 ? 616 CLA b CMA 1 ? ? +50467 HETATM C CAA . CLA BG 33 . ? 51.255 -27.147 -13.875 1.00 62.95 ? 616 CLA b CAA 1 ? ? +50468 HETATM C CBA . CLA BG 33 . ? 50.850 -27.909 -15.152 1.00 64.41 ? 616 CLA b CBA 1 ? ? +50469 HETATM C CGA . CLA BG 33 . ? 51.954 -28.819 -15.650 1.00 68.44 ? 616 CLA b CGA 1 ? ? +50470 HETATM O O1A . CLA BG 33 . ? 52.762 -29.265 -14.868 1.00 69.43 ? 616 CLA b O1A 1 ? ? +50471 HETATM O O2A . CLA BG 33 . ? 52.129 -29.204 -17.046 1.00 74.41 ? 616 CLA b O2A 1 ? ? +50472 HETATM N NB . CLA BG 33 . ? 50.971 -21.138 -12.853 1.00 58.31 ? 616 CLA b NB 1 ? ? +50473 HETATM C C1B . CLA BG 33 . ? 50.593 -21.381 -14.136 1.00 57.87 ? 616 CLA b C1B 1 ? ? +50474 HETATM C C2B . CLA BG 33 . ? 50.194 -20.229 -14.951 1.00 57.06 ? 616 CLA b C2B 1 ? ? +50475 HETATM C C3B . CLA BG 33 . ? 50.231 -19.173 -13.970 1.00 57.14 ? 616 CLA b C3B 1 ? ? +50476 HETATM C C4B . CLA BG 33 . ? 50.673 -19.829 -12.698 1.00 57.78 ? 616 CLA b C4B 1 ? ? +50477 HETATM C CMB . CLA BG 33 . ? 49.835 -20.157 -16.402 1.00 56.58 ? 616 CLA b CMB 1 ? ? +50478 HETATM C CAB . CLA BG 33 . ? 49.861 -17.792 -14.361 1.00 56.78 ? 616 CLA b CAB 1 ? ? +50479 HETATM C CBB . CLA BG 33 . ? 49.818 -16.796 -13.517 1.00 57.07 ? 616 CLA b CBB 1 ? ? +50480 HETATM N NC . CLA BG 33 . ? 52.027 -21.027 -10.220 1.00 59.33 ? 616 CLA b NC 1 ? ? +50481 HETATM C C1C . CLA BG 33 . ? 51.584 -19.754 -10.275 1.00 58.71 ? 616 CLA b C1C 1 ? ? +50482 HETATM C C2C . CLA BG 33 . ? 52.014 -18.844 -9.185 1.00 59.33 ? 616 CLA b C2C 1 ? ? +50483 HETATM C C3C . CLA BG 33 . ? 52.728 -19.698 -8.271 1.00 59.93 ? 616 CLA b C3C 1 ? ? +50484 HETATM C C4C . CLA BG 33 . ? 52.621 -20.982 -8.971 1.00 59.83 ? 616 CLA b C4C 1 ? ? +50485 HETATM C CMC . CLA BG 33 . ? 51.756 -17.383 -8.993 1.00 59.38 ? 616 CLA b CMC 1 ? ? +50486 HETATM C CAC . CLA BG 33 . ? 53.389 -19.336 -6.965 1.00 60.89 ? 616 CLA b CAC 1 ? ? +50487 HETATM C CBC . CLA BG 33 . ? 54.782 -18.734 -7.175 1.00 61.59 ? 616 CLA b CBC 1 ? ? +50488 HETATM N ND . CLA BG 33 . ? 52.874 -23.558 -10.303 1.00 60.11 ? 616 CLA b ND 1 ? ? +50489 HETATM C C1D . CLA BG 33 . ? 53.602 -23.224 -9.096 1.00 60.69 ? 616 CLA b C1D 1 ? ? +50490 HETATM C C2D . CLA BG 33 . ? 54.452 -24.379 -8.649 1.00 61.49 ? 616 CLA b C2D 1 ? ? +50491 HETATM C C3D . CLA BG 33 . ? 54.260 -25.279 -9.804 1.00 61.38 ? 616 CLA b C3D 1 ? ? +50492 HETATM C C4D . CLA BG 33 . ? 53.524 -24.653 -10.747 1.00 60.78 ? 616 CLA b C4D 1 ? ? +50493 HETATM C CMD . CLA BG 33 . ? 55.309 -24.712 -7.459 1.00 62.25 ? 616 CLA b CMD 1 ? ? +50494 HETATM C CAD . CLA BG 33 . ? 54.729 -26.562 -10.366 1.00 61.71 ? 616 CLA b CAD 1 ? ? +50495 HETATM O OBD . CLA BG 33 . ? 55.462 -27.404 -9.779 1.00 62.52 ? 616 CLA b OBD 1 ? ? +50496 HETATM C CBD . CLA BG 33 . ? 54.046 -26.791 -11.676 1.00 61.36 ? 616 CLA b CBD 1 ? ? +50497 HETATM C CGD . CLA BG 33 . ? 54.951 -27.070 -12.829 1.00 61.41 ? 616 CLA b CGD 1 ? ? +50498 HETATM O O1D . CLA BG 33 . ? 55.168 -28.221 -13.143 1.00 61.26 ? 616 CLA b O1D 1 ? ? +50499 HETATM O O2D . CLA BG 33 . ? 55.520 -26.014 -13.620 1.00 61.71 ? 616 CLA b O2D 1 ? ? +50500 HETATM C CED . CLA BG 33 . ? 56.773 -26.317 -14.242 1.00 62.82 ? 616 CLA b CED 1 ? ? +50501 HETATM C C1 . CLA BG 33 . ? 53.474 -29.402 -17.514 1.00 79.87 ? 616 CLA b C1 1 ? ? +50502 HETATM C C2 . CLA BG 33 . ? 53.919 -28.369 -18.540 1.00 85.22 ? 616 CLA b C2 1 ? ? +50503 HETATM C C3 . CLA BG 33 . ? 55.217 -27.939 -18.655 1.00 94.42 ? 616 CLA b C3 1 ? ? +50504 HETATM C C4 . CLA BG 33 . ? 56.347 -28.423 -17.776 1.00 95.11 ? 616 CLA b C4 1 ? ? +50505 HETATM C C5 . CLA BG 33 . ? 55.586 -26.904 -19.701 1.00 99.33 ? 616 CLA b C5 1 ? ? +50506 HETATM C C6 . CLA BG 33 . ? 54.817 -25.611 -19.438 1.00 102.75 ? 616 CLA b C6 1 ? ? +50507 HETATM C C7 . CLA BG 33 . ? 55.683 -24.355 -19.312 1.00 105.23 ? 616 CLA b C7 1 ? ? +50508 HETATM C C8 . CLA BG 33 . ? 55.210 -23.288 -20.303 1.00 107.81 ? 616 CLA b C8 1 ? ? +50509 HETATM C C9 . CLA BG 33 . ? 53.731 -23.133 -20.618 1.00 107.17 ? 616 CLA b C9 1 ? ? +50510 HETATM C C10 . CLA BG 33 . ? 56.267 -22.342 -20.803 1.00 113.45 ? 616 CLA b C10 1 ? ? +50511 HETATM C C11 . CLA BG 33 . ? 55.658 -21.150 -21.561 1.00 115.30 ? 616 CLA b C11 1 ? ? +50512 HETATM C C12 . CLA BG 33 . ? 56.727 -20.149 -22.002 1.00 118.19 ? 616 CLA b C12 1 ? ? +50513 HETATM C C13 . CLA BG 33 . ? 57.314 -19.406 -20.796 1.00 120.74 ? 616 CLA b C13 1 ? ? +50514 HETATM C C14 . CLA BG 33 . ? 56.285 -18.426 -20.231 1.00 122.27 ? 616 CLA b C14 1 ? ? +50515 HETATM C C15 . CLA BG 33 . ? 58.614 -18.700 -21.163 1.00 120.94 ? 616 CLA b C15 1 ? ? +50516 HETATM C C16 . CLA BG 33 . ? 59.453 -18.361 -19.930 1.00 121.30 ? 616 CLA b C16 1 ? ? +50517 HETATM C C17 . CLA BG 33 . ? 60.739 -17.624 -20.332 1.00 120.76 ? 616 CLA b C17 1 ? ? +50518 HETATM C C18 . CLA BG 33 . ? 61.695 -17.294 -19.167 1.00 121.29 ? 616 CLA b C18 1 ? ? +50519 HETATM C C19 . CLA BG 33 . ? 61.266 -17.425 -17.701 1.00 121.53 ? 616 CLA b C19 1 ? ? +50520 HETATM C C20 . CLA BG 33 . ? 63.174 -16.997 -19.450 1.00 120.90 ? 616 CLA b C20 1 ? ? +50521 HETATM MG MG . CLA BH 33 . ? -20.793 23.311 35.231 1.00 76.35 ? 513 CLA c MG 1 ? ? +50522 HETATM C CHA . CLA BH 33 . ? -18.398 25.204 33.533 1.00 74.91 ? 513 CLA c CHA 1 ? ? +50523 HETATM C CHB . CLA BH 33 . ? -23.059 25.673 34.497 1.00 77.77 ? 513 CLA c CHB 1 ? ? +50524 HETATM C CHC . CLA BH 33 . ? -22.794 22.340 37.988 1.00 78.46 ? 513 CLA c CHC 1 ? ? +50525 HETATM C CHD . CLA BH 33 . ? -18.039 21.606 36.956 1.00 75.58 ? 513 CLA c CHD 1 ? ? +50526 HETATM N NA . CLA BH 33 . ? -20.738 25.083 34.247 1.00 76.45 ? 513 CLA c NA 1 ? ? +50527 HETATM C C1A . CLA BH 33 . ? -19.806 25.615 33.508 1.00 75.93 ? 513 CLA c C1A 1 ? ? +50528 HETATM C C2A . CLA BH 33 . ? -20.216 26.801 32.663 1.00 76.60 ? 513 CLA c C2A 1 ? ? +50529 HETATM C C3A . CLA BH 33 . ? -21.647 26.978 33.105 1.00 77.19 ? 513 CLA c C3A 1 ? ? +50530 HETATM C C4A . CLA BH 33 . ? -21.833 25.832 34.035 1.00 77.16 ? 513 CLA c C4A 1 ? ? +50531 HETATM C CMA . CLA BH 33 . ? -21.916 28.333 33.762 1.00 78.05 ? 513 CLA c CMA 1 ? ? +50532 HETATM C CAA . CLA BH 33 . ? -20.140 26.645 31.138 1.00 76.84 ? 513 CLA c CAA 1 ? ? +50533 HETATM C CBA . CLA BH 33 . ? -20.781 27.857 30.430 1.00 78.33 ? 513 CLA c CBA 1 ? ? +50534 HETATM C CGA . CLA BH 33 . ? -20.666 27.857 28.919 1.00 79.16 ? 513 CLA c CGA 1 ? ? +50535 HETATM O O1A . CLA BH 33 . ? -19.599 28.038 28.361 1.00 79.13 ? 513 CLA c O1A 1 ? ? +50536 HETATM O O2A . CLA BH 33 . ? -21.867 27.654 28.113 1.00 81.33 ? 513 CLA c O2A 1 ? ? +50537 HETATM N NB . CLA BH 33 . ? -22.564 23.917 36.130 1.00 77.75 ? 513 CLA c NB 1 ? ? +50538 HETATM C C1B . CLA BH 33 . ? -23.416 24.824 35.610 1.00 78.25 ? 513 CLA c C1B 1 ? ? +50539 HETATM C C2B . CLA BH 33 . ? -24.690 25.105 36.309 1.00 79.66 ? 513 CLA c C2B 1 ? ? +50540 HETATM C C3B . CLA BH 33 . ? -24.617 24.104 37.358 1.00 79.98 ? 513 CLA c C3B 1 ? ? +50541 HETATM C C4B . CLA BH 33 . ? -23.313 23.401 37.138 1.00 78.59 ? 513 CLA c C4B 1 ? ? +50542 HETATM C CMB . CLA BH 33 . ? -25.785 26.102 35.999 1.00 80.42 ? 513 CLA c CMB 1 ? ? +50543 HETATM C CAB . CLA BH 33 . ? -25.705 23.999 38.364 1.00 81.47 ? 513 CLA c CAB 1 ? ? +50544 HETATM C CBB . CLA BH 33 . ? -25.628 23.254 39.438 1.00 82.19 ? 513 CLA c CBB 1 ? ? +50545 HETATM N NC . CLA BH 33 . ? -20.461 22.282 37.023 1.00 76.91 ? 513 CLA c NC 1 ? ? +50546 HETATM C C1C . CLA BH 33 . ? -21.395 21.898 37.955 1.00 77.85 ? 513 CLA c C1C 1 ? ? +50547 HETATM C C2C . CLA BH 33 . ? -20.930 21.085 39.106 1.00 78.06 ? 513 CLA c C2C 1 ? ? +50548 HETATM C C3C . CLA BH 33 . ? -19.532 20.878 38.783 1.00 77.40 ? 513 CLA c C3C 1 ? ? +50549 HETATM C C4C . CLA BH 33 . ? -19.386 21.576 37.496 1.00 76.46 ? 513 CLA c C4C 1 ? ? +50550 HETATM C CMC . CLA BH 33 . ? -21.697 20.563 40.293 1.00 78.96 ? 513 CLA c CMC 1 ? ? +50551 HETATM C CAC . CLA BH 33 . ? -18.503 20.085 39.552 1.00 77.72 ? 513 CLA c CAC 1 ? ? +50552 HETATM C CBC . CLA BH 33 . ? -17.600 20.990 40.348 1.00 78.13 ? 513 CLA c CBC 1 ? ? +50553 HETATM N ND . CLA BH 33 . ? -18.730 23.345 35.248 1.00 75.29 ? 513 CLA c ND 1 ? ? +50554 HETATM C C1D . CLA BH 33 . ? -17.716 22.629 36.003 1.00 75.10 ? 513 CLA c C1D 1 ? ? +50555 HETATM C C2D . CLA BH 33 . ? -16.373 22.887 35.388 1.00 74.33 ? 513 CLA c C2D 1 ? ? +50556 HETATM C C3D . CLA BH 33 . ? -16.714 23.946 34.412 1.00 74.21 ? 513 CLA c C3D 1 ? ? +50557 HETATM C C4D . CLA BH 33 . ? -18.015 24.263 34.546 1.00 74.92 ? 513 CLA c C4D 1 ? ? +50558 HETATM C CMD . CLA BH 33 . ? -14.966 22.387 35.579 1.00 73.86 ? 513 CLA c CMD 1 ? ? +50559 HETATM C CAD . CLA BH 33 . ? -16.103 24.872 33.423 1.00 73.71 ? 513 CLA c CAD 1 ? ? +50560 HETATM O OBD . CLA BH 33 . ? -14.874 24.945 33.089 1.00 73.13 ? 513 CLA c OBD 1 ? ? +50561 HETATM C CBD . CLA BH 33 . ? -17.182 25.688 32.797 1.00 73.93 ? 513 CLA c CBD 1 ? ? +50562 HETATM C CGD . CLA BH 33 . ? -16.887 27.139 32.871 1.00 74.09 ? 513 CLA c CGD 1 ? ? +50563 HETATM O O1D . CLA BH 33 . ? -16.533 27.719 31.875 1.00 73.47 ? 513 CLA c O1D 1 ? ? +50564 HETATM O O2D . CLA BH 33 . ? -17.009 27.868 34.106 1.00 75.06 ? 513 CLA c O2D 1 ? ? +50565 HETATM C CED . CLA BH 33 . ? -16.352 29.124 34.238 1.00 75.36 ? 513 CLA c CED 1 ? ? +50566 HETATM C C1 . CLA BH 33 . ? -22.062 28.213 26.806 1.00 82.32 ? 513 CLA c C1 1 ? ? +50567 HETATM C C2 . CLA BH 33 . ? -23.431 28.850 26.798 1.00 83.94 ? 513 CLA c C2 1 ? ? +50568 HETATM C C3 . CLA BH 33 . ? -23.587 30.126 27.148 1.00 86.11 ? 513 CLA c C3 1 ? ? +50569 HETATM C C4 . CLA BH 33 . ? -22.387 30.942 27.535 1.00 85.69 ? 513 CLA c C4 1 ? ? +50570 HETATM C C5 . CLA BH 33 . ? -24.967 30.748 27.173 1.00 89.08 ? 513 CLA c C5 1 ? ? +50571 HETATM C C6 . CLA BH 33 . ? -25.266 31.323 28.557 1.00 91.44 ? 513 CLA c C6 1 ? ? +50572 HETATM C C7 . CLA BH 33 . ? -26.503 30.720 29.215 1.00 94.38 ? 513 CLA c C7 1 ? ? +50573 HETATM C C8 . CLA BH 33 . ? -26.424 30.827 30.741 1.00 97.73 ? 513 CLA c C8 1 ? ? +50574 HETATM C C9 . CLA BH 33 . ? -25.443 31.782 31.436 1.00 98.61 ? 513 CLA c C9 1 ? ? +50575 HETATM C C10 . CLA BH 33 . ? -27.539 30.155 31.538 1.00 100.57 ? 513 CLA c C10 1 ? ? +50576 HETATM C C11 . CLA BH 33 . ? -27.486 30.556 33.011 1.00 104.24 ? 513 CLA c C11 1 ? ? +50577 HETATM C C12 . CLA BH 33 . ? -28.197 29.561 33.917 1.00 107.61 ? 513 CLA c C12 1 ? ? +50578 HETATM C C13 . CLA BH 33 . ? -29.701 29.820 34.031 1.00 110.86 ? 513 CLA c C13 1 ? ? +50579 HETATM C C14 . CLA BH 33 . ? -30.032 31.203 34.602 1.00 111.14 ? 513 CLA c C14 1 ? ? +50580 HETATM C C15 . CLA BH 33 . ? -30.344 28.756 34.918 1.00 113.64 ? 513 CLA c C15 1 ? ? +50581 HETATM C C16 . CLA BH 33 . ? -29.753 27.339 34.786 1.00 114.68 ? 513 CLA c C16 1 ? ? +50582 HETATM C C17 . CLA BH 33 . ? -30.884 26.308 34.893 1.00 116.08 ? 513 CLA c C17 1 ? ? +50583 HETATM C C18 . CLA BH 33 . ? -30.562 24.956 35.552 1.00 114.90 ? 513 CLA c C18 1 ? ? +50584 HETATM C C19 . CLA BH 33 . ? -29.129 24.413 35.670 1.00 112.89 ? 513 CLA c C19 1 ? ? +50585 HETATM C C20 . CLA BH 33 . ? -31.668 24.170 36.297 1.00 114.98 ? 513 CLA c C20 1 ? ? +50586 HETATM C C1 . HTG BI 35 . ? 60.545 8.211 14.377 1.00 105.57 ? 411 HTG d C1 1 ? ? +50587 HETATM S S1 . HTG BI 35 . ? 59.729 8.829 12.882 1.00 105.73 ? 411 HTG d S1 1 ? ? +50588 HETATM C C2 . HTG BI 35 . ? 62.054 8.508 14.314 1.00 105.52 ? 411 HTG d C2 1 ? ? +50589 HETATM O O2 . HTG BI 35 . ? 62.671 7.860 13.210 1.00 105.29 ? 411 HTG d O2 1 ? ? +50590 HETATM C C3 . HTG BI 35 . ? 62.719 8.017 15.595 1.00 106.21 ? 411 HTG d C3 1 ? ? +50591 HETATM O O3 . HTG BI 35 . ? 64.125 8.250 15.567 1.00 107.53 ? 411 HTG d O3 1 ? ? +50592 HETATM C C4 . HTG BI 35 . ? 62.081 8.702 16.776 1.00 106.55 ? 411 HTG d C4 1 ? ? +50593 HETATM O O4 . HTG BI 35 . ? 62.691 8.282 17.993 1.00 106.25 ? 411 HTG d O4 1 ? ? +50594 HETATM C C5 . HTG BI 35 . ? 60.579 8.365 16.770 1.00 107.56 ? 411 HTG d C5 1 ? ? +50595 HETATM O O5 . HTG BI 35 . ? 59.977 8.812 15.536 1.00 107.48 ? 411 HTG d O5 1 ? ? +50596 HETATM C C6 . HTG BI 35 . ? 59.815 9.023 17.911 1.00 106.95 ? 411 HTG d C6 1 ? ? +50597 HETATM O O6 . HTG BI 35 . ? 58.537 8.405 18.139 1.00 103.28 ? 411 HTG d O6 1 ? ? +50598 HETATM C C1' . HTG BI 35 . ? 57.946 8.688 13.285 1.00 100.82 ? 411 HTG d C1' 1 ? ? +50599 HETATM C C2' . HTG BI 35 . ? 57.096 8.856 12.038 1.00 98.54 ? 411 HTG d C2' 1 ? ? +50600 HETATM C C3' . HTG BI 35 . ? 56.205 10.081 12.089 1.00 98.32 ? 411 HTG d C3' 1 ? ? +50601 HETATM C C4' . HTG BI 35 . ? 55.528 10.417 10.776 1.00 96.51 ? 411 HTG d C4' 1 ? ? +50602 HETATM C C1 . LMG BJ 34 . ? 55.198 -93.887 -51.542 1.00 134.67 ? 101 LMG Z C1 1 ? ? +50603 HETATM O O1 . LMG BJ 34 . ? 54.454 -93.053 -52.396 1.00 129.87 ? 101 LMG Z O1 1 ? ? +50604 HETATM C C2 . LMG BJ 34 . ? 55.416 -93.193 -50.189 1.00 134.32 ? 101 LMG Z C2 1 ? ? +50605 HETATM O O2 . LMG BJ 34 . ? 56.782 -93.353 -49.812 1.00 134.81 ? 101 LMG Z O2 1 ? ? +50606 HETATM C C3 . LMG BJ 34 . ? 54.546 -93.681 -49.004 1.00 133.03 ? 101 LMG Z C3 1 ? ? +50607 HETATM O O3 . LMG BJ 34 . ? 53.427 -92.809 -48.820 1.00 132.10 ? 101 LMG Z O3 1 ? ? +50608 HETATM C C4 . LMG BJ 34 . ? 54.086 -95.119 -49.159 1.00 133.09 ? 101 LMG Z C4 1 ? ? +50609 HETATM O O4 . LMG BJ 34 . ? 53.121 -95.453 -48.165 1.00 130.88 ? 101 LMG Z O4 1 ? ? +50610 HETATM C C5 . LMG BJ 34 . ? 53.488 -95.320 -50.528 1.00 133.90 ? 101 LMG Z C5 1 ? ? +50611 HETATM O O5 . LMG BJ 34 . ? 51.332 -94.375 -49.895 1.00 128.33 ? 101 LMG Z O5 1 ? ? +50612 HETATM C C6 . LMG BJ 34 . ? 52.366 -94.356 -50.880 1.00 131.53 ? 101 LMG Z C6 1 ? ? +50613 HETATM O O6 . LMG BJ 34 . ? 54.558 -95.159 -51.482 1.00 135.98 ? 101 LMG Z O6 1 ? ? +50614 HETATM C C7 . LMG BJ 34 . ? 55.065 -92.854 -53.686 1.00 127.89 ? 101 LMG Z C7 1 ? ? +50615 HETATM C C8 . LMG BJ 34 . ? 54.052 -92.605 -54.783 1.00 127.17 ? 101 LMG Z C8 1 ? ? +50616 HETATM C C9 . LMG BJ 34 . ? 54.717 -92.703 -56.146 1.00 130.50 ? 101 LMG Z C9 1 ? ? +50617 HETATM O O7 . LMG BJ 34 . ? 52.970 -93.552 -54.500 1.00 125.29 ? 101 LMG Z O7 1 ? ? +50618 HETATM C C10 . LMG BJ 34 . ? 51.708 -93.370 -54.964 1.00 118.75 ? 101 LMG Z C10 1 ? ? +50619 HETATM O O9 . LMG BJ 34 . ? 50.820 -94.092 -54.584 1.00 117.82 ? 101 LMG Z O9 1 ? ? +50620 HETATM C C11 . LMG BJ 34 . ? 51.392 -92.297 -55.972 1.00 114.39 ? 101 LMG Z C11 1 ? ? +50621 HETATM C C12 . LMG BJ 34 . ? 50.914 -92.853 -57.292 1.00 112.52 ? 101 LMG Z C12 1 ? ? +50622 HETATM C C13 . LMG BJ 34 . ? 51.870 -92.601 -58.457 1.00 110.78 ? 101 LMG Z C13 1 ? ? +50623 HETATM C C14 . LMG BJ 34 . ? 52.287 -91.154 -58.637 1.00 108.60 ? 101 LMG Z C14 1 ? ? +50624 HETATM C C15 . LMG BJ 34 . ? 53.034 -90.865 -59.922 1.00 106.84 ? 101 LMG Z C15 1 ? ? +50625 HETATM C C16 . LMG BJ 34 . ? 53.499 -89.428 -60.066 1.00 104.24 ? 101 LMG Z C16 1 ? ? +50626 HETATM C C17 . LMG BJ 34 . ? 52.378 -88.416 -60.237 1.00 101.06 ? 101 LMG Z C17 1 ? ? +50627 HETATM C C18 . LMG BJ 34 . ? 51.691 -88.461 -61.582 1.00 98.13 ? 101 LMG Z C18 1 ? ? +50628 HETATM C C19 . LMG BJ 34 . ? 50.529 -87.506 -61.730 1.00 94.28 ? 101 LMG Z C19 1 ? ? +50629 HETATM C C20 . LMG BJ 34 . ? 49.802 -87.649 -63.039 1.00 92.30 ? 101 LMG Z C20 1 ? ? +50630 HETATM C C21 . LMG BJ 34 . ? 48.493 -86.916 -63.110 1.00 90.26 ? 101 LMG Z C21 1 ? ? +50631 HETATM C C22 . LMG BJ 34 . ? 47.307 -87.687 -62.580 1.00 89.26 ? 101 LMG Z C22 1 ? ? +50632 HETATM C C23 . LMG BJ 34 . ? 45.977 -86.994 -62.800 1.00 87.93 ? 101 LMG Z C23 1 ? ? +50633 HETATM C C24 . LMG BJ 34 . ? 44.770 -87.904 -62.709 1.00 87.51 ? 101 LMG Z C24 1 ? ? +50634 HETATM C C25 . LMG BJ 34 . ? 43.431 -87.208 -62.850 1.00 86.07 ? 101 LMG Z C25 1 ? ? +50635 HETATM O O8 . LMG BJ 34 . ? 55.617 -91.575 -56.296 1.00 132.30 ? 101 LMG Z O8 1 ? ? +50636 HETATM C C28 . LMG BJ 34 . ? 56.387 -91.514 -57.386 1.00 127.46 ? 101 LMG Z C28 1 ? ? +50637 HETATM O O10 . LMG BJ 34 . ? 56.430 -92.370 -58.232 1.00 125.38 ? 101 LMG Z O10 1 ? ? +50638 HETATM C C29 . LMG BJ 34 . ? 57.182 -90.236 -57.426 1.00 124.25 ? 101 LMG Z C29 1 ? ? +50639 HETATM C C1B . LMT BK 37 . ? 27.209 -11.193 -44.602 1.00 118.85 ? 417 LMT A C1B 1 ? ? +50640 HETATM C C2B . LMT BK 37 . ? 25.849 -11.436 -43.950 1.00 117.25 ? 417 LMT A C2B 1 ? ? +50641 HETATM C C3B . LMT BK 37 . ? 25.388 -12.870 -44.211 1.00 114.62 ? 417 LMT A C3B 1 ? ? +50642 HETATM C C4B . LMT BK 37 . ? 25.287 -13.109 -45.708 1.00 112.65 ? 417 LMT A C4B 1 ? ? +50643 HETATM C C5B . LMT BK 37 . ? 26.625 -12.802 -46.383 1.00 115.23 ? 417 LMT A C5B 1 ? ? +50644 HETATM C C6B . LMT BK 37 . ? 26.503 -12.834 -47.895 1.00 115.88 ? 417 LMT A C6B 1 ? ? +50645 HETATM O O1B . LMT BK 37 . ? 28.219 -11.972 -43.975 1.00 120.05 ? 417 LMT A O1B 1 ? ? +50646 HETATM O O2B . LMT BK 37 . ? 25.901 -11.127 -42.559 1.00 117.26 ? 417 LMT A O2B 1 ? ? +50647 HETATM O O3B . LMT BK 37 . ? 24.128 -13.123 -43.581 1.00 107.21 ? 417 LMT A O3B 1 ? ? +50648 HETATM O O4' . LMT BK 37 . ? 24.923 -14.469 -45.984 1.00 107.39 ? 417 LMT A O4' 1 ? ? +50649 HETATM O O5B . LMT BK 37 . ? 27.122 -11.472 -46.014 1.00 118.36 ? 417 LMT A O5B 1 ? ? +50650 HETATM O O6B . LMT BK 37 . ? 27.286 -11.821 -48.524 1.00 120.49 ? 417 LMT A O6B 1 ? ? +50651 HETATM C C1' . LMT BK 37 . ? 31.488 -11.883 -41.387 1.00 114.22 ? 417 LMT A C1' 1 ? ? +50652 HETATM C C2' . LMT BK 37 . ? 30.154 -11.437 -40.791 1.00 117.83 ? 417 LMT A C2' 1 ? ? +50653 HETATM C C3' . LMT BK 37 . ? 28.982 -11.794 -41.710 1.00 118.01 ? 417 LMT A C3' 1 ? ? +50654 HETATM C C4' . LMT BK 37 . ? 29.228 -11.348 -43.152 1.00 119.37 ? 417 LMT A C4' 1 ? ? +50655 HETATM C C5' . LMT BK 37 . ? 30.625 -11.771 -43.626 1.00 120.06 ? 417 LMT A C5' 1 ? ? +50656 HETATM C C6' . LMT BK 37 . ? 31.012 -11.189 -44.968 1.00 122.82 ? 417 LMT A C6' 1 ? ? +50657 HETATM O O1' . LMT BK 37 . ? 32.549 -11.435 -40.575 1.00 108.75 ? 417 LMT A O1' 1 ? ? +50658 HETATM O O2' . LMT BK 37 . ? 29.935 -12.044 -39.519 1.00 119.91 ? 417 LMT A O2' 1 ? ? +50659 HETATM O O3' . LMT BK 37 . ? 27.805 -11.182 -41.180 1.00 115.02 ? 417 LMT A O3' 1 ? ? +50660 HETATM O O5' . LMT BK 37 . ? 31.638 -11.326 -42.681 1.00 116.53 ? 417 LMT A O5' 1 ? ? +50661 HETATM O O6' . LMT BK 37 . ? 31.353 -9.804 -44.863 1.00 125.19 ? 417 LMT A O6' 1 ? ? +50662 HETATM C C1 . LMT BK 37 . ? 33.153 -12.460 -39.760 1.00 102.96 ? 417 LMT A C1 1 ? ? +50663 HETATM C C2 . LMT BK 37 . ? 34.151 -11.895 -38.778 1.00 97.80 ? 417 LMT A C2 1 ? ? +50664 HETATM C C3 . LMT BK 37 . ? 34.008 -12.468 -37.378 1.00 94.83 ? 417 LMT A C3 1 ? ? +50665 HETATM C C4 . LMT BK 37 . ? 34.381 -13.932 -37.277 1.00 95.18 ? 417 LMT A C4 1 ? ? +50666 HETATM C C5 . LMT BK 37 . ? 33.850 -14.654 -36.050 1.00 94.06 ? 417 LMT A C5 1 ? ? +50667 HETATM C C6 . LMT BK 37 . ? 34.421 -16.053 -35.863 1.00 95.70 ? 417 LMT A C6 1 ? ? +50668 HETATM C C7 . LMT BK 37 . ? 34.027 -16.728 -34.567 1.00 98.35 ? 417 LMT A C7 1 ? ? +50669 HETATM C C8 . LMT BK 37 . ? 34.811 -17.992 -34.226 1.00 102.92 ? 417 LMT A C8 1 ? ? +50670 HETATM C C9 . LMT BK 37 . ? 34.343 -18.682 -32.947 1.00 108.66 ? 417 LMT A C9 1 ? ? +50671 HETATM C C10 . LMT BK 37 . ? 35.401 -19.468 -32.177 1.00 110.16 ? 417 LMT A C10 1 ? ? +50672 HETATM C C11 . LMT BK 37 . ? 34.965 -19.893 -30.777 1.00 110.63 ? 417 LMT A C11 1 ? ? +50673 HETATM C C12 . LMT BK 37 . ? 35.280 -21.327 -30.396 1.00 109.43 ? 417 LMT A C12 1 ? ? +50674 HETATM C C1 . HTG BL 35 . ? -3.042 -10.990 -55.318 1.00 99.82 ? 623 HTG B C1 1 ? ? +50675 HETATM S S1 . HTG BL 35 . ? -4.114 -11.608 -56.660 1.00 96.05 ? 623 HTG B S1 1 ? ? +50676 HETATM C C2 . HTG BL 35 . ? -3.944 -10.295 -54.271 1.00 97.22 ? 623 HTG B C2 1 ? ? +50677 HETATM O O2 . HTG BL 35 . ? -4.417 -9.059 -54.797 1.00 91.73 ? 623 HTG B O2 1 ? ? +50678 HETATM C C3 . HTG BL 35 . ? -3.181 -10.013 -52.976 1.00 97.12 ? 623 HTG B C3 1 ? ? +50679 HETATM O O3 . HTG BL 35 . ? -4.064 -9.473 -51.991 1.00 91.07 ? 623 HTG B O3 1 ? ? +50680 HETATM C C4 . HTG BL 35 . ? -2.478 -11.285 -52.492 1.00 97.95 ? 623 HTG B C4 1 ? ? +50681 HETATM O O4 . HTG BL 35 . ? -1.776 -11.113 -51.254 1.00 97.19 ? 623 HTG B O4 1 ? ? +50682 HETATM C C5 . HTG BL 35 . ? -1.512 -11.683 -53.599 1.00 97.24 ? 623 HTG B C5 1 ? ? +50683 HETATM O O5 . HTG BL 35 . ? -2.277 -12.059 -54.758 1.00 100.98 ? 623 HTG B O5 1 ? ? +50684 HETATM C C6 . HTG BL 35 . ? -0.614 -12.852 -53.244 1.00 94.56 ? 623 HTG B C6 1 ? ? +50685 HETATM O O6 . HTG BL 35 . ? 0.579 -12.810 -54.024 1.00 90.67 ? 623 HTG B O6 1 ? ? +50686 HETATM C C1' . HTG BL 35 . ? -2.873 -12.099 -57.932 1.00 93.19 ? 623 HTG B C1' 1 ? ? +50687 HETATM C C2' . HTG BL 35 . ? -1.902 -11.023 -58.380 1.00 92.44 ? 623 HTG B C2' 1 ? ? +50688 HETATM C C3' . HTG BL 35 . ? -2.514 -10.029 -59.353 1.00 93.13 ? 623 HTG B C3' 1 ? ? +50689 HETATM C C4' . HTG BL 35 . ? -1.508 -9.398 -60.298 1.00 95.42 ? 623 HTG B C4' 1 ? ? +50690 HETATM C C5' . HTG BL 35 . ? -0.612 -8.347 -59.664 1.00 97.59 ? 623 HTG B C5' 1 ? ? +50691 HETATM C C6' . HTG BL 35 . ? 0.851 -8.718 -59.491 1.00 97.56 ? 623 HTG B C6' 1 ? ? +50692 HETATM C C7' . HTG BL 35 . ? 1.623 -8.956 -60.778 1.00 97.69 ? 623 HTG B C7' 1 ? ? +50693 HETATM C C1A A DGD BM 36 . ? 23.521 -65.784 -61.955 0.40 67.84 ? 518 DGD C C1A 1 ? ? +50694 HETATM C C1A B DGD BM 36 . ? 23.457 -65.794 -61.892 0.60 73.97 ? 518 DGD C C1A 1 ? ? +50695 HETATM C C2A A DGD BM 36 . ? 22.659 -66.881 -61.385 0.40 70.26 ? 518 DGD C C2A 1 ? ? +50696 HETATM C C2A B DGD BM 36 . ? 22.584 -66.926 -61.406 0.60 78.53 ? 518 DGD C C2A 1 ? ? +50697 HETATM C C3A A DGD BM 36 . ? 23.117 -67.219 -59.969 0.40 72.28 ? 518 DGD C C3A 1 ? ? +50698 HETATM C C3A B DGD BM 36 . ? 23.002 -67.373 -60.011 0.60 82.80 ? 518 DGD C C3A 1 ? ? +50699 HETATM C C4A A DGD BM 36 . ? 22.414 -66.353 -58.928 0.40 74.13 ? 518 DGD C C4A 1 ? ? +50700 HETATM C C4A B DGD BM 36 . ? 22.377 -66.483 -58.934 0.60 87.20 ? 518 DGD C C4A 1 ? ? +50701 HETATM C C5A A DGD BM 36 . ? 22.933 -66.673 -57.531 0.40 76.62 ? 518 DGD C C5A 1 ? ? +50702 HETATM C C5A B DGD BM 36 . ? 22.937 -66.781 -57.547 0.60 92.84 ? 518 DGD C C5A 1 ? ? +50703 HETATM C C6A A DGD BM 36 . ? 24.459 -66.606 -57.529 0.40 79.57 ? 518 DGD C C6A 1 ? ? +50704 HETATM C C6A B DGD BM 36 . ? 24.455 -66.567 -57.503 0.60 99.60 ? 518 DGD C C6A 1 ? ? +50705 HETATM C C7A A DGD BM 36 . ? 25.060 -66.925 -56.161 0.40 82.45 ? 518 DGD C C7A 1 ? ? +50706 HETATM C C7A B DGD BM 36 . ? 25.088 -66.917 -56.158 0.60 106.42 ? 518 DGD C C7A 1 ? ? +50707 HETATM C C8A A DGD BM 36 . ? 24.477 -66.038 -55.063 0.40 84.45 ? 518 DGD C C8A 1 ? ? +50708 HETATM C C8A B DGD BM 36 . ? 24.596 -65.999 -55.044 0.60 111.94 ? 518 DGD C C8A 1 ? ? +50709 HETATM C C9A A DGD BM 36 . ? 25.026 -66.436 -53.692 0.40 86.17 ? 518 DGD C C9A 1 ? ? +50710 HETATM C C9A B DGD BM 36 . ? 25.051 -66.500 -53.669 0.60 115.50 ? 518 DGD C C9A 1 ? ? +50711 HETATM C CAA A DGD BM 36 . ? 23.987 -66.184 -52.600 0.40 86.92 ? 518 DGD C CAA 1 ? ? +50712 HETATM C CAA B DGD BM 36 . ? 24.019 -66.211 -52.579 0.60 117.67 ? 518 DGD C CAA 1 ? ? +50713 HETATM C CBA A DGD BM 36 . ? 22.596 -66.642 -53.037 0.40 87.51 ? 518 DGD C CBA 1 ? ? +50714 HETATM C CBA B DGD BM 36 . ? 22.624 -66.707 -52.962 0.60 118.63 ? 518 DGD C CBA 1 ? ? +50715 HETATM C CCA A DGD BM 36 . ? 21.626 -66.664 -51.855 0.40 87.56 ? 518 DGD C CCA 1 ? ? +50716 HETATM C CCA B DGD BM 36 . ? 21.664 -66.697 -51.776 0.60 118.16 ? 518 DGD C CCA 1 ? ? +50717 HETATM C CDA A DGD BM 36 . ? 20.411 -67.525 -52.168 0.40 87.60 ? 518 DGD C CDA 1 ? ? +50718 HETATM C CDA B DGD BM 36 . ? 20.380 -67.444 -52.123 0.60 117.28 ? 518 DGD C CDA 1 ? ? +50719 HETATM C CEA A DGD BM 36 . ? 19.589 -66.892 -53.281 0.40 87.61 ? 518 DGD C CEA 1 ? ? +50720 HETATM C CEA B DGD BM 36 . ? 19.607 -66.806 -53.276 0.60 116.97 ? 518 DGD C CEA 1 ? ? +50721 HETATM C CFA A DGD BM 36 . ? 19.244 -65.457 -52.915 0.40 87.03 ? 518 DGD C CFA 1 ? ? +50722 HETATM C CFA B DGD BM 36 . ? 19.190 -65.373 -52.952 0.60 115.86 ? 518 DGD C CFA 1 ? ? +50723 HETATM C CGA A DGD BM 36 . ? 20.328 -64.519 -53.417 0.40 86.19 ? 518 DGD C CGA 1 ? ? +50724 HETATM C CGA B DGD BM 36 . ? 20.052 -64.338 -53.658 0.60 113.67 ? 518 DGD C CGA 1 ? ? +50725 HETATM O O1A A DGD BM 36 . ? 24.352 -65.211 -61.273 0.40 67.17 ? 518 DGD C O1A 1 ? ? +50726 HETATM O O1A B DGD BM 36 . ? 24.209 -65.185 -61.148 0.60 72.69 ? 518 DGD C O1A 1 ? ? +50727 HETATM C C1B A DGD BM 36 . ? 27.406 -65.579 -63.649 0.40 63.80 ? 518 DGD C C1B 1 ? ? +50728 HETATM C C1B B DGD BM 36 . ? 27.468 -65.555 -63.691 0.60 66.57 ? 518 DGD C C1B 1 ? ? +50729 HETATM C C2B A DGD BM 36 . ? 28.302 -66.403 -62.772 0.40 64.16 ? 518 DGD C C2B 1 ? ? +50730 HETATM C C2B B DGD BM 36 . ? 28.341 -66.395 -62.815 0.60 67.04 ? 518 DGD C C2B 1 ? ? +50731 HETATM C C3B A DGD BM 36 . ? 28.751 -65.561 -61.596 0.40 63.85 ? 518 DGD C C3B 1 ? ? +50732 HETATM C C3B B DGD BM 36 . ? 28.797 -65.533 -61.664 0.60 66.88 ? 518 DGD C C3B 1 ? ? +50733 HETATM C C4B A DGD BM 36 . ? 29.758 -66.334 -60.766 0.40 64.40 ? 518 DGD C C4B 1 ? ? +50734 HETATM C C4B B DGD BM 36 . ? 29.771 -66.311 -60.800 0.60 67.70 ? 518 DGD C C4B 1 ? ? +50735 HETATM C C5B A DGD BM 36 . ? 30.349 -65.427 -59.704 0.40 64.20 ? 518 DGD C C5B 1 ? ? +50736 HETATM C C5B B DGD BM 36 . ? 30.328 -65.437 -59.693 0.60 67.72 ? 518 DGD C C5B 1 ? ? +50737 HETATM C C6B A DGD BM 36 . ? 31.007 -64.220 -60.349 0.40 64.24 ? 518 DGD C C6B 1 ? ? +50738 HETATM C C6B B DGD BM 36 . ? 31.027 -64.219 -60.267 0.60 68.14 ? 518 DGD C C6B 1 ? ? +50739 HETATM C C7B A DGD BM 36 . ? 31.535 -63.299 -59.262 0.40 64.10 ? 518 DGD C C7B 1 ? ? +50740 HETATM C C7B B DGD BM 36 . ? 31.531 -63.330 -59.151 0.60 68.38 ? 518 DGD C C7B 1 ? ? +50741 HETATM C C8B A DGD BM 36 . ? 31.539 -61.849 -59.710 0.40 63.74 ? 518 DGD C C8B 1 ? ? +50742 HETATM C C8B B DGD BM 36 . ? 31.549 -61.888 -59.616 0.60 68.14 ? 518 DGD C C8B 1 ? ? +50743 HETATM C C9B A DGD BM 36 . ? 32.144 -61.022 -58.593 0.40 63.53 ? 518 DGD C C9B 1 ? ? +50744 HETATM C C9B B DGD BM 36 . ? 32.135 -61.054 -58.499 0.60 68.09 ? 518 DGD C C9B 1 ? ? +50745 HETATM C CAB A DGD BM 36 . ? 31.654 -59.585 -58.620 0.40 62.98 ? 518 DGD C CAB 1 ? ? +50746 HETATM C CAB B DGD BM 36 . ? 31.676 -59.609 -58.580 0.60 67.54 ? 518 DGD C CAB 1 ? ? +50747 HETATM C CBB A DGD BM 36 . ? 31.617 -59.062 -57.190 0.40 62.60 ? 518 DGD C CBB 1 ? ? +50748 HETATM C CBB B DGD BM 36 . ? 31.648 -59.043 -57.168 0.60 67.09 ? 518 DGD C CBB 1 ? ? +50749 HETATM C CCB A DGD BM 36 . ? 31.414 -57.556 -57.156 0.40 62.09 ? 518 DGD C CCB 1 ? ? +50750 HETATM C CCB B DGD BM 36 . ? 31.286 -57.568 -57.194 0.60 66.52 ? 518 DGD C CCB 1 ? ? +50751 HETATM C CDB A DGD BM 36 . ? 30.787 -57.159 -55.834 0.40 61.56 ? 518 DGD C CDB 1 ? ? +50752 HETATM C CDB B DGD BM 36 . ? 30.655 -57.148 -55.880 0.60 65.91 ? 518 DGD C CDB 1 ? ? +50753 HETATM C CEB A DGD BM 36 . ? 29.416 -57.802 -55.734 0.40 61.38 ? 518 DGD C CEB 1 ? ? +50754 HETATM C CEB B DGD BM 36 . ? 29.305 -57.828 -55.697 0.60 65.72 ? 518 DGD C CEB 1 ? ? +50755 HETATM C CFB A DGD BM 36 . ? 28.318 -56.762 -55.637 0.40 60.77 ? 518 DGD C CFB 1 ? ? +50756 HETATM C CFB B DGD BM 36 . ? 28.170 -56.836 -55.566 0.60 65.05 ? 518 DGD C CFB 1 ? ? +50757 HETATM C CGB A DGD BM 36 . ? 27.028 -57.464 -55.229 0.40 60.88 ? 518 DGD C CGB 1 ? ? +50758 HETATM C CGB B DGD BM 36 . ? 26.904 -57.592 -55.168 0.60 65.33 ? 518 DGD C CGB 1 ? ? +50759 HETATM O O1B A DGD BM 36 . ? 27.835 -64.653 -64.309 0.40 63.55 ? 518 DGD C O1B 1 ? ? +50760 HETATM O O1B B DGD BM 36 . ? 27.934 -64.641 -64.341 0.60 66.17 ? 518 DGD C O1B 1 ? ? +50761 HETATM O O1G A DGD BM 36 . ? 23.360 -65.390 -63.339 0.40 65.55 ? 518 DGD C O1G 1 ? ? +50762 HETATM O O1G B DGD BM 36 . ? 23.380 -65.416 -63.287 0.60 69.70 ? 518 DGD C O1G 1 ? ? +50763 HETATM C C1G A DGD BM 36 . ? 24.201 -64.377 -63.883 0.40 64.03 ? 518 DGD C C1G 1 ? ? +50764 HETATM C C1G B DGD BM 36 . ? 24.208 -64.387 -63.826 0.60 67.34 ? 518 DGD C C1G 1 ? ? +50765 HETATM C C2G A DGD BM 36 . ? 25.312 -65.080 -64.636 0.40 63.57 ? 518 DGD C C2G 1 ? ? +50766 HETATM C C2G B DGD BM 36 . ? 25.295 -65.066 -64.635 0.60 66.33 ? 518 DGD C C2G 1 ? ? +50767 HETATM O O2G A DGD BM 36 . ? 26.003 -65.899 -63.706 0.40 63.71 ? 518 DGD C O2G 1 ? ? +50768 HETATM O O2G B DGD BM 36 . ? 26.058 -65.853 -63.731 0.60 66.41 ? 518 DGD C O2G 1 ? ? +50769 HETATM C C3G A DGD BM 36 . ? 24.722 -65.965 -65.732 0.40 63.25 ? 518 DGD C C3G 1 ? ? +50770 HETATM C C3G B DGD BM 36 . ? 24.698 -65.989 -65.699 0.60 65.62 ? 518 DGD C C3G 1 ? ? +50771 HETATM O O3G A DGD BM 36 . ? 23.634 -65.320 -66.401 0.40 62.02 ? 518 DGD C O3G 1 ? ? +50772 HETATM O O3G B DGD BM 36 . ? 23.638 -65.365 -66.443 0.60 63.91 ? 518 DGD C O3G 1 ? ? +50773 HETATM C C1D A DGD BM 36 . ? 24.122 -64.504 -67.464 0.40 60.95 ? 518 DGD C C1D 1 ? ? +50774 HETATM C C1D B DGD BM 36 . ? 24.128 -64.516 -67.484 0.60 62.33 ? 518 DGD C C1D 1 ? ? +50775 HETATM C C2D A DGD BM 36 . ? 23.067 -64.344 -68.547 0.40 60.80 ? 518 DGD C C2D 1 ? ? +50776 HETATM C C2D B DGD BM 36 . ? 23.054 -64.290 -68.532 0.60 62.04 ? 518 DGD C C2D 1 ? ? +50777 HETATM O O2D A DGD BM 36 . ? 22.878 -65.607 -69.188 0.40 61.48 ? 518 DGD C O2D 1 ? ? +50778 HETATM O O2D B DGD BM 36 . ? 22.775 -65.531 -69.176 0.60 62.84 ? 518 DGD C O2D 1 ? ? +50779 HETATM C C3D A DGD BM 36 . ? 23.492 -63.341 -69.609 0.40 60.41 ? 518 DGD C C3D 1 ? ? +50780 HETATM C C3D B DGD BM 36 . ? 23.530 -63.317 -69.595 0.60 61.50 ? 518 DGD C C3D 1 ? ? +50781 HETATM O O3D A DGD BM 36 . ? 22.359 -62.997 -70.409 0.40 60.51 ? 518 DGD C O3D 1 ? ? +50782 HETATM O O3D B DGD BM 36 . ? 22.441 -62.969 -70.450 0.60 61.70 ? 518 DGD C O3D 1 ? ? +50783 HETATM C C4D A DGD BM 36 . ? 24.091 -62.083 -68.994 0.40 59.62 ? 518 DGD C C4D 1 ? ? +50784 HETATM C C4D B DGD BM 36 . ? 24.119 -62.063 -68.967 0.60 60.54 ? 518 DGD C C4D 1 ? ? +50785 HETATM O O4D A DGD BM 36 . ? 23.058 -61.292 -68.400 0.40 59.08 ? 518 DGD C O4D 1 ? ? +50786 HETATM O O4D B DGD BM 36 . ? 23.083 -61.284 -68.361 0.60 59.97 ? 518 DGD C O4D 1 ? ? +50787 HETATM C C5D A DGD BM 36 . ? 25.132 -62.455 -67.941 0.40 59.27 ? 518 DGD C C5D 1 ? ? +50788 HETATM C C5D B DGD BM 36 . ? 25.172 -62.448 -67.923 0.60 60.06 ? 518 DGD C C5D 1 ? ? +50789 HETATM O O5D A DGD BM 36 . ? 26.185 -60.312 -68.285 0.40 57.55 ? 518 DGD C O5D 1 ? ? +50790 HETATM O O5D B DGD BM 36 . ? 26.240 -60.297 -68.179 0.60 57.77 ? 518 DGD C O5D 1 ? ? +50791 HETATM C C6D A DGD BM 36 . ? 25.772 -61.239 -67.288 0.40 58.21 ? 518 DGD C C6D 1 ? ? +50792 HETATM C C6D B DGD BM 36 . ? 25.810 -61.258 -67.223 0.60 58.71 ? 518 DGD C C6D 1 ? ? +50793 HETATM O O6D A DGD BM 36 . ? 24.483 -63.230 -66.946 0.40 59.86 ? 518 DGD C O6D 1 ? ? +50794 HETATM O O6D B DGD BM 36 . ? 24.529 -63.258 -66.948 0.60 60.98 ? 518 DGD C O6D 1 ? ? +50795 HETATM C C1E A DGD BM 36 . ? 27.497 -60.596 -68.752 0.40 57.40 ? 518 DGD C C1E 1 ? ? +50796 HETATM C C1E B DGD BM 36 . ? 27.504 -60.601 -68.762 0.60 57.48 ? 518 DGD C C1E 1 ? ? +50797 HETATM C C2E A DGD BM 36 . ? 28.308 -59.300 -68.777 0.40 57.00 ? 518 DGD C C2E 1 ? ? +50798 HETATM C C2E B DGD BM 36 . ? 28.346 -59.321 -68.785 0.60 57.02 ? 518 DGD C C2E 1 ? ? +50799 HETATM O O2E A DGD BM 36 . ? 28.254 -58.685 -67.482 0.40 56.47 ? 518 DGD C O2E 1 ? ? +50800 HETATM O O2E B DGD BM 36 . ? 28.346 -58.709 -67.482 0.60 56.47 ? 518 DGD C O2E 1 ? ? +50801 HETATM C C3E A DGD BM 36 . ? 27.736 -58.343 -69.817 0.40 56.80 ? 518 DGD C C3E 1 ? ? +50802 HETATM C C3E B DGD BM 36 . ? 27.783 -58.338 -69.807 0.60 56.75 ? 518 DGD C C3E 1 ? ? +50803 HETATM O O3E A DGD BM 36 . ? 28.570 -57.197 -69.988 0.40 56.66 ? 518 DGD C O3E 1 ? ? +50804 HETATM O O3E B DGD BM 36 . ? 28.615 -57.187 -69.955 0.60 56.53 ? 518 DGD C O3E 1 ? ? +50805 HETATM C C4E A DGD BM 36 . ? 27.561 -59.046 -71.154 0.40 57.22 ? 518 DGD C C4E 1 ? ? +50806 HETATM C C4E B DGD BM 36 . ? 27.598 -59.008 -71.160 0.60 57.16 ? 518 DGD C C4E 1 ? ? +50807 HETATM O O4E A DGD BM 36 . ? 28.841 -59.358 -71.707 0.40 57.53 ? 518 DGD C O4E 1 ? ? +50808 HETATM O O4E B DGD BM 36 . ? 28.864 -59.368 -71.709 0.60 57.46 ? 518 DGD C O4E 1 ? ? +50809 HETATM C C5E A DGD BM 36 . ? 26.748 -60.318 -70.974 0.40 57.42 ? 518 DGD C C5E 1 ? ? +50810 HETATM C C5E B DGD BM 36 . ? 26.722 -60.243 -71.001 0.60 57.36 ? 518 DGD C C5E 1 ? ? +50811 HETATM O O6E A DGD BM 36 . ? 27.406 -61.177 -70.051 0.40 57.65 ? 518 DGD C O6E 1 ? ? +50812 HETATM O O6E B DGD BM 36 . ? 27.310 -61.146 -70.069 0.60 57.60 ? 518 DGD C O6E 1 ? ? +50813 HETATM C C6E A DGD BM 36 . ? 26.553 -61.037 -72.300 0.40 57.93 ? 518 DGD C C6E 1 ? ? +50814 HETATM C C6E B DGD BM 36 . ? 26.499 -60.962 -72.322 0.60 57.85 ? 518 DGD C C6E 1 ? ? +50815 HETATM O O5E A DGD BM 36 . ? 27.799 -61.580 -72.736 0.40 58.42 ? 518 DGD C O5E 1 ? ? +50816 HETATM O O5E B DGD BM 36 . ? 27.696 -61.632 -72.715 0.60 58.35 ? 518 DGD C O5E 1 ? ? +50817 HETATM O O6 A SQD BN 29 . ? 13.140 11.926 29.215 0.40 73.36 ? 409 SQD a O6 1 ? ? +50818 HETATM O O6 B SQD BN 29 . ? 13.249 11.914 29.164 0.60 77.17 ? 409 SQD a O6 1 ? ? +50819 HETATM C C44 A SQD BN 29 . ? 11.705 11.924 29.101 0.40 74.03 ? 409 SQD a C44 1 ? ? +50820 HETATM C C44 B SQD BN 29 . ? 11.816 12.000 29.047 0.60 78.67 ? 409 SQD a C44 1 ? ? +50821 HETATM C C45 A SQD BN 29 . ? 11.296 11.691 27.679 0.40 74.08 ? 409 SQD a C45 1 ? ? +50822 HETATM C C45 B SQD BN 29 . ? 11.369 11.744 27.634 0.60 79.58 ? 409 SQD a C45 1 ? ? +50823 HETATM C C46 A SQD BN 29 . ? 9.920 12.245 27.380 0.40 74.35 ? 409 SQD a C46 1 ? ? +50824 HETATM C C46 B SQD BN 29 . ? 9.956 12.224 27.381 0.60 80.42 ? 409 SQD a C46 1 ? ? +50825 HETATM O O47 A SQD BN 29 . ? 12.334 12.293 26.858 0.40 74.60 ? 409 SQD a O47 1 ? ? +50826 HETATM O O47 B SQD BN 29 . ? 12.312 12.398 26.734 0.60 80.63 ? 409 SQD a O47 1 ? ? +50827 HETATM C C7 A SQD BN 29 . ? 12.687 11.655 25.731 0.40 75.06 ? 409 SQD a C7 1 ? ? +50828 HETATM C C7 B SQD BN 29 . ? 13.079 11.623 25.943 0.60 82.07 ? 409 SQD a C7 1 ? ? +50829 HETATM O O49 A SQD BN 29 . ? 12.124 10.658 25.357 0.40 74.52 ? 409 SQD a O49 1 ? ? +50830 HETATM O O49 B SQD BN 29 . ? 12.999 10.425 25.963 0.60 81.37 ? 409 SQD a O49 1 ? ? +50831 HETATM C C8 A SQD BN 29 . ? 13.841 12.302 25.016 0.40 75.63 ? 409 SQD a C8 1 ? ? +50832 HETATM C C8 B SQD BN 29 . ? 14.052 12.331 25.037 0.60 83.28 ? 409 SQD a C8 1 ? ? +50833 HETATM C C9 A SQD BN 29 . ? 13.505 13.639 24.440 0.40 76.48 ? 409 SQD a C9 1 ? ? +50834 HETATM C C9 B SQD BN 29 . ? 13.567 13.649 24.518 0.60 85.14 ? 409 SQD a C9 1 ? ? +50835 HETATM C C10 A SQD BN 29 . ? 12.558 13.541 23.251 0.40 76.85 ? 409 SQD a C10 1 ? ? +50836 HETATM C C10 B SQD BN 29 . ? 12.564 13.511 23.379 0.60 86.66 ? 409 SQD a C10 1 ? ? +50837 HETATM C C11 A SQD BN 29 . ? 12.275 14.859 22.570 0.40 77.61 ? 409 SQD a C11 1 ? ? +50838 HETATM C C11 B SQD BN 29 . ? 12.334 14.792 22.602 0.60 88.20 ? 409 SQD a C11 1 ? ? +50839 HETATM C C12 A SQD BN 29 . ? 10.808 15.137 22.347 0.40 78.09 ? 409 SQD a C12 1 ? ? +50840 HETATM C C12 B SQD BN 29 . ? 10.885 15.086 22.282 0.60 89.11 ? 409 SQD a C12 1 ? ? +50841 HETATM C C13 A SQD BN 29 . ? 10.222 14.438 21.145 0.40 77.84 ? 409 SQD a C13 1 ? ? +50842 HETATM C C13 B SQD BN 29 . ? 10.337 14.319 21.102 0.60 88.90 ? 409 SQD a C13 1 ? ? +50843 HETATM C C14 A SQD BN 29 . ? 9.171 15.242 20.421 0.40 77.96 ? 409 SQD a C14 1 ? ? +50844 HETATM C C14 B SQD BN 29 . ? 9.263 15.054 20.337 0.60 88.94 ? 409 SQD a C14 1 ? ? +50845 HETATM C C15 A SQD BN 29 . ? 9.725 16.118 19.327 0.40 77.80 ? 409 SQD a C15 1 ? ? +50846 HETATM C C15 B SQD BN 29 . ? 9.790 15.996 19.288 0.60 88.21 ? 409 SQD a C15 1 ? ? +50847 HETATM C C16 A SQD BN 29 . ? 10.274 15.352 18.150 0.40 77.25 ? 409 SQD a C16 1 ? ? +50848 HETATM C C16 B SQD BN 29 . ? 10.424 15.308 18.108 0.60 86.93 ? 409 SQD a C16 1 ? ? +50849 HETATM C C17 A SQD BN 29 . ? 10.751 16.222 17.016 0.40 77.16 ? 409 SQD a C17 1 ? ? +50850 HETATM C C17 B SQD BN 29 . ? 10.839 16.239 17.003 0.60 86.29 ? 409 SQD a C17 1 ? ? +50851 HETATM C C18 A SQD BN 29 . ? 9.655 16.998 16.328 0.40 77.18 ? 409 SQD a C18 1 ? ? +50852 HETATM C C18 B SQD BN 29 . ? 9.694 16.956 16.331 0.60 85.89 ? 409 SQD a C18 1 ? ? +50853 HETATM C C19 A SQD BN 29 . ? 10.025 17.499 14.955 0.40 76.85 ? 409 SQD a C19 1 ? ? +50854 HETATM C C19 B SQD BN 29 . ? 10.042 17.548 14.991 0.60 85.04 ? 409 SQD a C19 1 ? ? +50855 HETATM C C20 A SQD BN 29 . ? 10.384 16.409 13.980 0.40 76.35 ? 409 SQD a C20 1 ? ? +50856 HETATM C C20 B SQD BN 29 . ? 10.339 16.527 13.925 0.60 83.87 ? 409 SQD a C20 1 ? ? +50857 HETATM C C21 A SQD BN 29 . ? 10.382 16.855 12.546 0.40 75.95 ? 409 SQD a C21 1 ? ? +50858 HETATM C C21 B SQD BN 29 . ? 10.307 17.079 12.530 0.60 82.79 ? 409 SQD a C21 1 ? ? +50859 HETATM C C22 A SQD BN 29 . ? 11.227 18.083 12.324 0.40 76.47 ? 409 SQD a C22 1 ? ? +50860 HETATM C C22 B SQD BN 29 . ? 11.300 18.197 12.333 0.60 83.10 ? 409 SQD a C22 1 ? ? +50861 HETATM O O48 A SQD BN 29 . ? 9.873 13.641 27.744 0.40 75.38 ? 409 SQD a O48 1 ? ? +50862 HETATM O O48 B SQD BN 29 . ? 9.863 13.626 27.718 0.60 82.28 ? 409 SQD a O48 1 ? ? +50863 HETATM C C23 A SQD BN 29 . ? 9.308 14.436 26.843 0.40 76.09 ? 409 SQD a C23 1 ? ? +50864 HETATM C C23 B SQD BN 29 . ? 9.275 14.417 26.826 0.60 84.52 ? 409 SQD a C23 1 ? ? +50865 HETATM O O10 A SQD BN 29 . ? 8.892 14.034 25.790 0.40 75.64 ? 409 SQD a O10 1 ? ? +50866 HETATM O O10 B SQD BN 29 . ? 8.853 14.023 25.769 0.60 84.27 ? 409 SQD a O10 1 ? ? +50867 HETATM C C24 A SQD BN 29 . ? 9.254 15.871 27.295 0.40 77.31 ? 409 SQD a C24 1 ? ? +50868 HETATM C C24 B SQD BN 29 . ? 9.206 15.845 27.303 0.60 86.88 ? 409 SQD a C24 1 ? ? +50869 HETATM C C25 A SQD BN 29 . ? 8.913 16.811 26.178 0.40 77.70 ? 409 SQD a C25 1 ? ? +50870 HETATM C C25 B SQD BN 29 . ? 8.961 16.823 26.192 0.60 88.53 ? 409 SQD a C25 1 ? ? +50871 HETATM C C26 A SQD BN 29 . ? 8.450 18.179 26.650 0.40 78.92 ? 409 SQD a C26 1 ? ? +50872 HETATM C C26 B SQD BN 29 . ? 8.494 18.189 26.669 0.60 90.94 ? 409 SQD a C26 1 ? ? +50873 HETATM C C27 A SQD BN 29 . ? 8.585 19.252 25.594 0.40 79.52 ? 409 SQD a C27 1 ? ? +50874 HETATM C C27 B SQD BN 29 . ? 8.801 19.298 25.690 0.60 92.89 ? 409 SQD a C27 1 ? ? +50875 HETATM C C28 A SQD BN 29 . ? 7.926 20.566 25.930 0.40 80.78 ? 409 SQD a C28 1 ? ? +50876 HETATM C C28 B SQD BN 29 . ? 7.986 20.553 25.864 0.60 95.13 ? 409 SQD a C28 1 ? ? +50877 HETATM C C29 A SQD BN 29 . ? 8.290 21.688 24.986 0.40 81.62 ? 409 SQD a C29 1 ? ? +50878 HETATM C C29 B SQD BN 29 . ? 8.303 21.623 24.845 0.60 97.21 ? 409 SQD a C29 1 ? ? +50879 HETATM C C30 A SQD BN 29 . ? 7.113 22.502 24.508 0.40 82.77 ? 409 SQD a C30 1 ? ? +50880 HETATM C C30 B SQD BN 29 . ? 7.150 22.538 24.520 0.60 100.07 ? 409 SQD a C30 1 ? ? +50881 HETATM C C31 A SQD BN 29 . ? 7.414 23.409 23.338 0.40 83.47 ? 409 SQD a C31 1 ? ? +50882 HETATM C C31 B SQD BN 29 . ? 7.384 23.436 23.324 0.60 102.01 ? 409 SQD a C31 1 ? ? +50883 HETATM C C32 A SQD BN 29 . ? 6.543 24.642 23.275 0.40 84.59 ? 409 SQD a C32 1 ? ? +50884 HETATM C C32 B SQD BN 29 . ? 6.500 24.666 23.276 0.60 104.06 ? 409 SQD a C32 1 ? ? +50885 HETATM C C33 A SQD BN 29 . ? 6.714 25.579 24.441 0.40 85.87 ? 409 SQD a C33 1 ? ? +50886 HETATM C C33 B SQD BN 29 . ? 6.675 25.633 24.426 0.60 106.03 ? 409 SQD a C33 1 ? ? +50887 HETATM C C34 A SQD BN 29 . ? 8.135 26.024 24.668 0.40 86.68 ? 409 SQD a C34 1 ? ? +50888 HETATM C C34 B SQD BN 29 . ? 8.092 26.107 24.642 0.60 107.57 ? 409 SQD a C34 1 ? ? +50889 HETATM C C35 A SQD BN 29 . ? 8.291 27.041 25.771 0.40 88.11 ? 409 SQD a C35 1 ? ? +50890 HETATM C C35 B SQD BN 29 . ? 8.246 27.099 25.770 0.60 109.89 ? 409 SQD a C35 1 ? ? +50891 HETATM C C36 A SQD BN 29 . ? 7.653 28.377 25.475 0.40 88.82 ? 409 SQD a C36 1 ? ? +50892 HETATM C C36 B SQD BN 29 . ? 7.693 28.475 25.473 0.60 111.08 ? 409 SQD a C36 1 ? ? +50893 HETATM C C37 A SQD BN 29 . ? 8.566 29.353 24.775 0.40 89.15 ? 409 SQD a C37 1 ? ? +50894 HETATM C C37 B SQD BN 29 . ? 8.633 29.370 24.703 0.60 111.51 ? 409 SQD a C37 1 ? ? +50895 HETATM C C38 A SQD BN 29 . ? 9.359 30.222 25.721 0.40 89.86 ? 409 SQD a C38 1 ? ? +50896 HETATM C C38 B SQD BN 29 . ? 9.527 30.212 25.582 0.60 111.86 ? 409 SQD a C38 1 ? ? +50897 HETATM C C1 A SQD BN 29 . ? 13.566 11.011 30.177 0.40 72.86 ? 409 SQD a C1 1 ? ? +50898 HETATM C C1 B SQD BN 29 . ? 13.638 10.991 30.136 0.60 75.85 ? 409 SQD a C1 1 ? ? +50899 HETATM C C2 A SQD BN 29 . ? 15.062 10.778 30.137 0.40 72.65 ? 409 SQD a C2 1 ? ? +50900 HETATM C C2 B SQD BN 29 . ? 15.134 10.757 30.163 0.60 75.37 ? 409 SQD a C2 1 ? ? +50901 HETATM O O2 A SQD BN 29 . ? 15.521 10.579 28.805 0.40 72.08 ? 409 SQD a O2 1 ? ? +50902 HETATM O O2 B SQD BN 29 . ? 15.668 10.607 28.853 0.60 74.73 ? 409 SQD a O2 1 ? ? +50903 HETATM C C3 A SQD BN 29 . ? 15.323 9.592 31.038 0.40 72.80 ? 409 SQD a C3 1 ? ? +50904 HETATM C C3 B SQD BN 29 . ? 15.339 9.539 31.036 0.60 75.36 ? 409 SQD a C3 1 ? ? +50905 HETATM O O3 A SQD BN 29 . ? 16.725 9.360 31.124 0.40 73.36 ? 409 SQD a O3 1 ? ? +50906 HETATM O O3 B SQD BN 29 . ? 16.731 9.283 31.174 0.60 76.28 ? 409 SQD a O3 1 ? ? +50907 HETATM C C4 A SQD BN 29 . ? 14.724 9.811 32.432 0.40 73.40 ? 409 SQD a C4 1 ? ? +50908 HETATM C C4 B SQD BN 29 . ? 14.683 9.718 32.411 0.60 75.88 ? 409 SQD a C4 1 ? ? +50909 HETATM O O4 A SQD BN 29 . ? 14.631 8.556 33.096 0.40 73.90 ? 409 SQD a O4 1 ? ? +50910 HETATM O O4 B SQD BN 29 . ? 14.498 8.436 32.999 0.60 76.48 ? 409 SQD a O4 1 ? ? +50911 HETATM C C5 A SQD BN 29 . ? 13.309 10.404 32.387 0.40 73.06 ? 409 SQD a C5 1 ? ? +50912 HETATM C C5 B SQD BN 29 . ? 13.294 10.370 32.346 0.60 75.38 ? 409 SQD a C5 1 ? ? +50913 HETATM C C6 A SQD BN 29 . ? 12.783 10.950 33.700 0.40 73.33 ? 409 SQD a C6 1 ? ? +50914 HETATM C C6 B SQD BN 29 . ? 12.772 10.932 33.653 0.60 75.28 ? 409 SQD a C6 1 ? ? +50915 HETATM O O5 A SQD BN 29 . ? 13.255 11.489 31.460 0.40 73.10 ? 409 SQD a O5 1 ? ? +50916 HETATM O O5 B SQD BN 29 . ? 13.287 11.458 31.415 0.60 75.75 ? 409 SQD a O5 1 ? ? +50917 HETATM S S A SQD BN 29 . ? 11.090 11.455 33.573 0.40 72.66 ? 409 SQD a S 1 ? ? +50918 HETATM S S B SQD BN 29 . ? 11.098 11.497 33.526 0.60 74.18 ? 409 SQD a S 1 ? ? +50919 HETATM O O7 A SQD BN 29 . ? 10.579 11.585 34.893 0.40 73.51 ? 409 SQD a O7 1 ? ? +50920 HETATM O O7 B SQD BN 29 . ? 10.650 11.810 34.837 0.60 75.12 ? 409 SQD a O7 1 ? ? +50921 HETATM O O8 A SQD BN 29 . ? 11.201 12.843 32.905 0.40 72.27 ? 409 SQD a O8 1 ? ? +50922 HETATM O O8 B SQD BN 29 . ? 11.237 12.789 32.695 0.60 73.53 ? 409 SQD a O8 1 ? ? +50923 HETATM O O9 A SQD BN 29 . ? 10.443 10.548 32.684 0.40 71.92 ? 409 SQD a O9 1 ? ? +50924 HETATM O O9 B SQD BN 29 . ? 10.371 10.527 32.778 0.60 73.44 ? 409 SQD a O9 1 ? ? +50925 HETATM C C1 . BCR BO 30 . ? 22.484 -8.861 -23.154 1.00 49.45 ? 617 BCR b C1 1 ? ? +50926 HETATM C C2 . BCR BO 30 . ? 21.204 -8.069 -23.462 1.00 49.22 ? 617 BCR b C2 1 ? ? +50927 HETATM C C3 . BCR BO 30 . ? 20.051 -8.499 -22.660 1.00 48.91 ? 617 BCR b C3 1 ? ? +50928 HETATM C C4 . BCR BO 30 . ? 19.752 -9.960 -22.942 1.00 48.77 ? 617 BCR b C4 1 ? ? +50929 HETATM C C5 . BCR BO 30 . ? 20.970 -10.830 -22.917 1.00 48.91 ? 617 BCR b C5 1 ? ? +50930 HETATM C C6 . BCR BO 30 . ? 22.224 -10.356 -23.045 1.00 49.43 ? 617 BCR b C6 1 ? ? +50931 HETATM C C7 . BCR BO 30 . ? 23.268 -11.314 -22.883 1.00 49.55 ? 617 BCR b C7 1 ? ? +50932 HETATM C C8 . BCR BO 30 . ? 24.234 -11.339 -21.945 1.00 49.67 ? 617 BCR b C8 1 ? ? +50933 HETATM C C9 . BCR BO 30 . ? 25.252 -12.278 -21.917 1.00 49.76 ? 617 BCR b C9 1 ? ? +50934 HETATM C C10 . BCR BO 30 . ? 25.907 -12.604 -20.715 1.00 49.94 ? 617 BCR b C10 1 ? ? +50935 HETATM C C11 . BCR BO 30 . ? 27.002 -13.432 -20.526 1.00 49.80 ? 617 BCR b C11 1 ? ? +50936 HETATM C C33 . BCR BO 30 . ? 20.669 -12.279 -22.665 1.00 48.55 ? 617 BCR b C33 1 ? ? +50937 HETATM C C31 . BCR BO 30 . ? 23.107 -8.305 -21.864 1.00 49.83 ? 617 BCR b C31 1 ? ? +50938 HETATM C C32 . BCR BO 30 . ? 23.452 -8.592 -24.311 1.00 49.52 ? 617 BCR b C32 1 ? ? +50939 HETATM C C34 . BCR BO 30 . ? 25.762 -12.896 -23.184 1.00 49.56 ? 617 BCR b C34 1 ? ? +50940 HETATM C C12 . BCR BO 30 . ? 27.583 -13.778 -19.345 1.00 49.64 ? 617 BCR b C12 1 ? ? +50941 HETATM C C13 . BCR BO 30 . ? 28.608 -14.712 -19.100 1.00 49.60 ? 617 BCR b C13 1 ? ? +50942 HETATM C C14 . BCR BO 30 . ? 29.035 -14.965 -17.785 1.00 49.61 ? 617 BCR b C14 1 ? ? +50943 HETATM C C15 . BCR BO 30 . ? 29.860 -15.935 -17.290 1.00 49.68 ? 617 BCR b C15 1 ? ? +50944 HETATM C C16 . BCR BO 30 . ? 30.210 -16.196 -15.989 1.00 49.75 ? 617 BCR b C16 1 ? ? +50945 HETATM C C17 . BCR BO 30 . ? 31.041 -17.187 -15.565 1.00 50.00 ? 617 BCR b C17 1 ? ? +50946 HETATM C C18 . BCR BO 30 . ? 31.326 -17.635 -14.289 1.00 50.11 ? 617 BCR b C18 1 ? ? +50947 HETATM C C19 . BCR BO 30 . ? 32.221 -18.694 -14.107 1.00 50.79 ? 617 BCR b C19 1 ? ? +50948 HETATM C C20 . BCR BO 30 . ? 32.603 -19.372 -12.964 1.00 51.20 ? 617 BCR b C20 1 ? ? +50949 HETATM C C21 . BCR BO 30 . ? 33.537 -20.390 -12.924 1.00 51.40 ? 617 BCR b C21 1 ? ? +50950 HETATM C C22 . BCR BO 30 . ? 33.836 -21.250 -11.872 1.00 51.71 ? 617 BCR b C22 1 ? ? +50951 HETATM C C23 . BCR BO 30 . ? 34.833 -22.214 -12.012 1.00 51.95 ? 617 BCR b C23 1 ? ? +50952 HETATM C C24 . BCR BO 30 . ? 35.371 -22.944 -11.006 1.00 52.27 ? 617 BCR b C24 1 ? ? +50953 HETATM C C25 . BCR BO 30 . ? 36.391 -23.964 -11.106 1.00 52.56 ? 617 BCR b C25 1 ? ? +50954 HETATM C C26 . BCR BO 30 . ? 36.524 -24.802 -12.159 1.00 52.31 ? 617 BCR b C26 1 ? ? +50955 HETATM C C27 . BCR BO 30 . ? 37.721 -25.703 -12.288 1.00 52.85 ? 617 BCR b C27 1 ? ? +50956 HETATM C C28 . BCR BO 30 . ? 38.497 -25.895 -10.992 1.00 53.55 ? 617 BCR b C28 1 ? ? +50957 HETATM C C29 . BCR BO 30 . ? 38.700 -24.611 -10.275 1.00 53.64 ? 617 BCR b C29 1 ? ? +50958 HETATM C C30 . BCR BO 30 . ? 37.391 -23.881 -9.970 1.00 53.16 ? 617 BCR b C30 1 ? ? +50959 HETATM C C35 . BCR BO 30 . ? 29.228 -15.436 -20.239 1.00 49.36 ? 617 BCR b C35 1 ? ? +50960 HETATM C C36 . BCR BO 30 . ? 30.706 -16.978 -13.125 1.00 49.88 ? 617 BCR b C36 1 ? ? +50961 HETATM C C37 . BCR BO 30 . ? 32.994 -21.143 -10.647 1.00 51.67 ? 617 BCR b C37 1 ? ? +50962 HETATM C C38 . BCR BO 30 . ? 35.562 -24.939 -13.310 1.00 51.17 ? 617 BCR b C38 1 ? ? +50963 HETATM C C39 . BCR BO 30 . ? 37.749 -22.409 -9.709 1.00 53.32 ? 617 BCR b C39 1 ? ? +50964 HETATM C C40 . BCR BO 30 . ? 36.774 -24.470 -8.691 1.00 53.28 ? 617 BCR b C40 1 ? ? +50965 HETATM MG MG . CLA BP 33 . ? -15.739 28.780 42.981 1.00 82.89 ? 514 CLA c MG 1 ? ? +50966 HETATM C CHA . CLA BP 33 . ? -16.491 28.813 46.289 1.00 85.72 ? 514 CLA c CHA 1 ? ? +50967 HETATM C CHB . CLA BP 33 . ? -17.478 25.902 42.669 1.00 82.43 ? 514 CLA c CHB 1 ? ? +50968 HETATM C CHC . CLA BP 33 . ? -16.447 29.439 39.554 1.00 81.06 ? 514 CLA c CHC 1 ? ? +50969 HETATM C CHD . CLA BP 33 . ? -15.042 32.334 43.195 1.00 83.72 ? 514 CLA c CHD 1 ? ? +50970 HETATM N NA . CLA BP 33 . ? -16.902 27.654 44.195 1.00 83.79 ? 514 CLA c NA 1 ? ? +50971 HETATM C C1A . CLA BP 33 . ? -17.103 27.779 45.468 1.00 85.12 ? 514 CLA c C1A 1 ? ? +50972 HETATM C C2A . CLA BP 33 . ? -17.871 26.693 46.161 1.00 85.93 ? 514 CLA c C2A 1 ? ? +50973 HETATM C C3A . CLA BP 33 . ? -18.027 25.714 45.028 1.00 84.55 ? 514 CLA c C3A 1 ? ? +50974 HETATM C C4A . CLA BP 33 . ? -17.417 26.459 43.873 1.00 83.43 ? 514 CLA c C4A 1 ? ? +50975 HETATM C CMA . CLA BP 33 . ? -17.325 24.391 45.300 1.00 83.98 ? 514 CLA c CMA 1 ? ? +50976 HETATM C CAA . CLA BP 33 . ? -19.186 27.164 46.798 1.00 87.96 ? 514 CLA c CAA 1 ? ? +50977 HETATM C CBA . CLA BP 33 . ? -19.979 28.147 45.933 1.00 88.94 ? 514 CLA c CBA 1 ? ? +50978 HETATM C CGA . CLA BP 33 . ? -21.386 28.323 46.443 1.00 91.36 ? 514 CLA c CGA 1 ? ? +50979 HETATM O O1A . CLA BP 33 . ? -21.842 27.588 47.295 1.00 91.79 ? 514 CLA c O1A 1 ? ? +50980 HETATM O O2A . CLA BP 33 . ? -22.219 29.391 45.914 1.00 94.97 ? 514 CLA c O2A 1 ? ? +50981 HETATM N NB . CLA BP 33 . ? -16.793 27.891 41.432 1.00 81.80 ? 514 CLA c NB 1 ? ? +50982 HETATM C C1B . CLA BP 33 . ? -17.346 26.655 41.425 1.00 81.62 ? 514 CLA c C1B 1 ? ? +50983 HETATM C C2B . CLA BP 33 . ? -17.956 26.145 40.156 1.00 80.78 ? 514 CLA c C2B 1 ? ? +50984 HETATM C C3B . CLA BP 33 . ? -17.629 27.249 39.256 1.00 80.51 ? 514 CLA c C3B 1 ? ? +50985 HETATM C C4B . CLA BP 33 . ? -16.897 28.195 40.120 1.00 81.12 ? 514 CLA c C4B 1 ? ? +50986 HETATM C CMB . CLA BP 33 . ? -18.670 24.839 39.908 1.00 80.52 ? 514 CLA c CMB 1 ? ? +50987 HETATM C CAB . CLA BP 33 . ? -17.886 27.465 37.802 1.00 79.84 ? 514 CLA c CAB 1 ? ? +50988 HETATM C CBB . CLA BP 33 . ? -18.467 26.586 37.012 1.00 79.42 ? 514 CLA c CBB 1 ? ? +50989 HETATM N NC . CLA BP 33 . ? -15.781 30.459 41.707 1.00 82.42 ? 514 CLA c NC 1 ? ? +50990 HETATM C C1C . CLA BP 33 . ? -15.990 30.539 40.366 1.00 81.72 ? 514 CLA c C1C 1 ? ? +50991 HETATM C C2C . CLA BP 33 . ? -15.879 31.850 39.686 1.00 81.65 ? 514 CLA c C2C 1 ? ? +50992 HETATM C C3C . CLA BP 33 . ? -15.444 32.710 40.769 1.00 82.40 ? 514 CLA c C3C 1 ? ? +50993 HETATM C C4C . CLA BP 33 . ? -15.375 31.763 41.900 1.00 82.75 ? 514 CLA c C4C 1 ? ? +50994 HETATM C CMC . CLA BP 33 . ? -16.132 32.200 38.242 1.00 80.97 ? 514 CLA c CMC 1 ? ? +50995 HETATM C CAC . CLA BP 33 . ? -15.131 34.185 40.730 1.00 82.87 ? 514 CLA c CAC 1 ? ? +50996 HETATM C CBC . CLA BP 33 . ? -16.357 34.981 41.136 1.00 83.54 ? 514 CLA c CBC 1 ? ? +50997 HETATM N ND . CLA BP 33 . ? -16.107 30.312 44.275 1.00 84.39 ? 514 CLA c ND 1 ? ? +50998 HETATM C C1D . CLA BP 33 . ? -15.299 31.547 44.375 1.00 84.51 ? 514 CLA c C1D 1 ? ? +50999 HETATM C C2D . CLA BP 33 . ? -14.920 31.944 45.762 1.00 85.63 ? 514 CLA c C2D 1 ? ? +51000 HETATM C C3D . CLA BP 33 . ? -15.428 30.784 46.490 1.00 85.87 ? 514 CLA c C3D 1 ? ? +51001 HETATM C C4D . CLA BP 33 . ? -15.958 29.935 45.602 1.00 85.21 ? 514 CLA c C4D 1 ? ? +51002 HETATM C CMD . CLA BP 33 . ? -14.225 33.096 46.426 1.00 86.50 ? 514 CLA c CMD 1 ? ? +51003 HETATM C CAD . CLA BP 33 . ? -15.517 30.203 47.848 1.00 86.77 ? 514 CLA c CAD 1 ? ? +51004 HETATM O OBD . CLA BP 33 . ? -15.093 30.704 48.944 1.00 87.57 ? 514 CLA c OBD 1 ? ? +51005 HETATM C CBD . CLA BP 33 . ? -16.222 28.902 47.752 1.00 86.93 ? 514 CLA c CBD 1 ? ? +51006 HETATM C CGD . CLA BP 33 . ? -15.351 27.833 48.314 1.00 87.39 ? 514 CLA c CGD 1 ? ? +51007 HETATM O O1D . CLA BP 33 . ? -14.398 27.374 47.707 1.00 86.42 ? 514 CLA c O1D 1 ? ? +51008 HETATM O O2D . CLA BP 33 . ? -15.669 27.345 49.640 1.00 89.28 ? 514 CLA c O2D 1 ? ? +51009 HETATM C CED . CLA BP 33 . ? -14.606 26.853 50.451 1.00 89.91 ? 514 CLA c CED 1 ? ? +51010 HETATM C C1 . CLA BP 33 . ? -23.649 29.362 46.005 1.00 97.73 ? 514 CLA c C1 1 ? ? +51011 HETATM C C2 . CLA BP 33 . ? -24.279 29.707 44.672 1.00 99.29 ? 514 CLA c C2 1 ? ? +51012 HETATM C C3 . CLA BP 33 . ? -24.414 30.977 44.249 1.00 102.31 ? 514 CLA c C3 1 ? ? +51013 HETATM C C4 . CLA BP 33 . ? -23.930 32.116 45.104 1.00 102.44 ? 514 CLA c C4 1 ? ? +51014 HETATM C C5 . CLA BP 33 . ? -25.061 31.239 42.899 1.00 104.43 ? 514 CLA c C5 1 ? ? +51015 HETATM C C6 . CLA BP 33 . ? -24.385 32.415 42.198 1.00 106.16 ? 514 CLA c C6 1 ? ? +51016 HETATM C C7 . CLA BP 33 . ? -24.580 32.360 40.691 1.00 107.38 ? 514 CLA c C7 1 ? ? +51017 HETATM C C8 . CLA BP 33 . ? -24.344 33.730 40.014 1.00 109.39 ? 514 CLA c C8 1 ? ? +51018 HETATM C C9 . CLA BP 33 . ? -23.661 34.896 40.740 1.00 110.32 ? 514 CLA c C9 1 ? ? +51019 HETATM C C10 . CLA BP 33 . ? -24.551 33.826 38.497 1.00 109.54 ? 514 CLA c C10 1 ? ? +51020 HETATM C C11 . CLA BP 33 . ? -24.991 32.517 37.848 1.00 109.96 ? 514 CLA c C11 1 ? ? +51021 HETATM C C12 . CLA BP 33 . ? -25.680 32.762 36.498 1.00 109.72 ? 514 CLA c C12 1 ? ? +51022 HETATM C C13 . CLA BP 33 . ? -25.021 31.959 35.376 1.00 108.22 ? 514 CLA c C13 1 ? ? +51023 HETATM C C14 . CLA BP 33 . ? -25.166 30.449 35.614 1.00 107.81 ? 514 CLA c C14 1 ? ? +51024 HETATM C C15 . CLA BP 33 . ? -23.556 32.385 35.254 1.00 106.32 ? 514 CLA c C15 1 ? ? +51025 HETATM C C16 . CLA BP 33 . ? -23.018 32.199 33.845 1.00 104.25 ? 514 CLA c C16 1 ? ? +51026 HETATM C C17 . CLA BP 33 . ? -21.564 32.644 33.836 1.00 103.18 ? 514 CLA c C17 1 ? ? +51027 HETATM C C18 . CLA BP 33 . ? -20.916 32.705 32.470 1.00 100.76 ? 514 CLA c C18 1 ? ? +51028 HETATM C C19 . CLA BP 33 . ? -19.401 32.694 32.386 1.00 99.67 ? 514 CLA c C19 1 ? ? +51029 HETATM C C20 . CLA BP 33 . ? -21.742 32.959 31.218 1.00 99.44 ? 514 CLA c C20 1 ? ? +51030 HETATM C C1 . LMG BQ 34 . ? 16.572 39.107 7.396 1.00 65.23 ? 412 LMG d C1 1 ? ? +51031 HETATM O O1 . LMG BQ 34 . ? 16.500 38.482 8.647 1.00 66.39 ? 412 LMG d O1 1 ? ? +51032 HETATM C C2 . LMG BQ 34 . ? 15.167 39.520 6.971 1.00 64.74 ? 412 LMG d C2 1 ? ? +51033 HETATM O O2 . LMG BQ 34 . ? 14.338 38.363 6.866 1.00 63.84 ? 412 LMG d O2 1 ? ? +51034 HETATM C C3 . LMG BQ 34 . ? 15.225 40.322 5.673 1.00 64.51 ? 412 LMG d C3 1 ? ? +51035 HETATM O O3 . LMG BQ 34 . ? 13.934 40.835 5.365 1.00 64.45 ? 412 LMG d O3 1 ? ? +51036 HETATM C C4 . LMG BQ 34 . ? 16.215 41.479 5.765 1.00 65.04 ? 412 LMG d C4 1 ? ? +51037 HETATM O O4 . LMG BQ 34 . ? 15.675 42.533 6.586 1.00 65.36 ? 412 LMG d O4 1 ? ? +51038 HETATM C C5 . LMG BQ 34 . ? 17.570 40.952 6.285 1.00 65.07 ? 412 LMG d C5 1 ? ? +51039 HETATM O O5 . LMG BQ 34 . ? 18.933 42.697 5.373 1.00 65.58 ? 412 LMG d O5 1 ? ? +51040 HETATM C C6 . LMG BQ 34 . ? 18.582 42.032 6.566 1.00 65.63 ? 412 LMG d C6 1 ? ? +51041 HETATM O O6 . LMG BQ 34 . ? 17.394 40.246 7.517 1.00 65.43 ? 412 LMG d O6 1 ? ? +51042 HETATM C C7 . LMG BQ 34 . ? 17.731 37.901 9.105 1.00 67.85 ? 412 LMG d C7 1 ? ? +51043 HETATM C C8 . LMG BQ 34 . ? 17.655 36.394 9.196 1.00 68.52 ? 412 LMG d C8 1 ? ? +51044 HETATM C C9 . LMG BQ 34 . ? 18.892 35.825 9.857 1.00 69.58 ? 412 LMG d C9 1 ? ? +51045 HETATM O O7 . LMG BQ 34 . ? 16.463 36.024 9.950 1.00 69.38 ? 412 LMG d O7 1 ? ? +51046 HETATM C C10 . LMG BQ 34 . ? 15.519 35.291 9.338 1.00 70.74 ? 412 LMG d C10 1 ? ? +51047 HETATM O O9 . LMG BQ 34 . ? 15.646 34.877 8.221 1.00 69.82 ? 412 LMG d O9 1 ? ? +51048 HETATM C C11 . LMG BQ 34 . ? 14.273 35.070 10.137 1.00 72.94 ? 412 LMG d C11 1 ? ? +51049 HETATM C C12 . LMG BQ 34 . ? 14.462 34.191 11.332 1.00 75.42 ? 412 LMG d C12 1 ? ? +51050 HETATM C C13 . LMG BQ 34 . ? 15.405 33.030 11.084 1.00 77.48 ? 412 LMG d C13 1 ? ? +51051 HETATM C C14 . LMG BQ 34 . ? 15.042 31.759 11.822 1.00 79.86 ? 412 LMG d C14 1 ? ? +51052 HETATM C C15 . LMG BQ 34 . ? 16.015 30.641 11.576 1.00 82.22 ? 412 LMG d C15 1 ? ? +51053 HETATM C C16 . LMG BQ 34 . ? 15.524 29.261 11.916 1.00 85.11 ? 412 LMG d C16 1 ? ? +51054 HETATM C C17 . LMG BQ 34 . ? 16.625 28.238 11.813 1.00 89.94 ? 412 LMG d C17 1 ? ? +51055 HETATM C C18 . LMG BQ 34 . ? 16.188 26.794 11.668 1.00 93.13 ? 412 LMG d C18 1 ? ? +51056 HETATM C C19 . LMG BQ 34 . ? 17.165 25.955 10.857 1.00 96.63 ? 412 LMG d C19 1 ? ? +51057 HETATM C C20 . LMG BQ 34 . ? 17.349 24.531 11.328 1.00 98.59 ? 412 LMG d C20 1 ? ? +51058 HETATM C C21 . LMG BQ 34 . ? 18.727 23.967 11.090 1.00 102.00 ? 412 LMG d C21 1 ? ? +51059 HETATM C C22 . LMG BQ 34 . ? 19.845 24.668 11.840 1.00 108.64 ? 412 LMG d C22 1 ? ? +51060 HETATM C C23 . LMG BQ 34 . ? 19.736 24.616 13.359 1.00 114.63 ? 412 LMG d C23 1 ? ? +51061 HETATM C C24 . LMG BQ 34 . ? 20.757 25.476 14.094 1.00 119.00 ? 412 LMG d C24 1 ? ? +51062 HETATM C C25 . LMG BQ 34 . ? 20.746 25.336 15.607 1.00 119.65 ? 412 LMG d C25 1 ? ? +51063 HETATM O O8 . LMG BQ 34 . ? 18.717 34.409 10.076 1.00 70.19 ? 412 LMG d O8 1 ? ? +51064 HETATM C C28 . LMG BQ 34 . ? 19.707 33.774 10.695 1.00 72.23 ? 412 LMG d C28 1 ? ? +51065 HETATM O O10 . LMG BQ 34 . ? 20.733 34.297 11.032 1.00 72.49 ? 412 LMG d O10 1 ? ? +51066 HETATM C C29 . LMG BQ 34 . ? 19.395 32.329 10.901 1.00 73.38 ? 412 LMG d C29 1 ? ? +51067 HETATM C C30 . LMG BQ 34 . ? 20.623 31.487 11.092 1.00 75.10 ? 412 LMG d C30 1 ? ? +51068 HETATM C C31 . LMG BQ 34 . ? 20.447 30.068 10.575 1.00 76.55 ? 412 LMG d C31 1 ? ? +51069 HETATM C C32 . LMG BQ 34 . ? 20.911 28.996 11.520 1.00 78.51 ? 412 LMG d C32 1 ? ? +51070 HETATM C C33 . LMG BQ 34 . ? 22.397 28.975 11.761 1.00 80.82 ? 412 LMG d C33 1 ? ? +51071 HETATM C C34 . LMG BQ 34 . ? 22.812 27.986 12.819 1.00 83.61 ? 412 LMG d C34 1 ? ? +51072 HETATM C C35 . LMG BQ 34 . ? 24.290 27.971 13.110 1.00 87.41 ? 412 LMG d C35 1 ? ? +51073 HETATM C C36 . LMG BQ 34 . ? 24.705 26.962 14.159 1.00 90.47 ? 412 LMG d C36 1 ? ? +51074 HETATM C C37 . LMG BQ 34 . ? 26.072 27.213 14.778 1.00 93.18 ? 412 LMG d C37 1 ? ? +51075 HETATM C C38 . LMG BQ 34 . ? 26.083 28.195 15.942 1.00 95.69 ? 412 LMG d C38 1 ? ? +51076 HETATM C C39 . LMG BQ 34 . ? 25.145 27.853 17.090 1.00 96.99 ? 412 LMG d C39 1 ? ? +51077 HETATM C C40 . LMG BQ 34 . ? 25.452 28.558 18.405 1.00 99.32 ? 412 LMG d C40 1 ? ? +51078 HETATM C C41 . LMG BQ 34 . ? 26.681 28.043 19.138 1.00 100.14 ? 412 LMG d C41 1 ? ? +51079 HETATM C C42 . LMG BQ 34 . ? 26.839 28.570 20.557 1.00 100.41 ? 412 LMG d C42 1 ? ? +51080 HETATM C C43 . LMG BQ 34 . ? 27.757 27.747 21.440 1.00 99.52 ? 412 LMG d C43 1 ? ? +51081 HETATM C C1 . LMG BR 34 . ? -12.391 32.084 52.231 1.00 132.94 ? 101 LMG z C1 1 ? ? +51082 HETATM O O1 . LMG BR 34 . ? -12.544 32.569 50.927 1.00 128.84 ? 101 LMG z O1 1 ? ? +51083 HETATM C C2 . LMG BR 34 . ? -12.766 30.605 52.265 1.00 132.47 ? 101 LMG z C2 1 ? ? +51084 HETATM O O2 . LMG BR 34 . ? -14.103 30.448 52.741 1.00 130.81 ? 101 LMG z O2 1 ? ? +51085 HETATM C C3 . LMG BR 34 . ? -11.773 29.846 53.134 1.00 131.99 ? 101 LMG z C3 1 ? ? +51086 HETATM O O3 . LMG BR 34 . ? -10.584 29.590 52.384 1.00 128.99 ? 101 LMG z O3 1 ? ? +51087 HETATM C C4 . LMG BR 34 . ? -11.466 30.651 54.392 1.00 133.88 ? 101 LMG z C4 1 ? ? +51088 HETATM O O4 . LMG BR 34 . ? -10.616 29.914 55.265 1.00 134.00 ? 101 LMG z O4 1 ? ? +51089 HETATM C C5 . LMG BR 34 . ? -10.803 31.980 54.019 1.00 134.05 ? 101 LMG z C5 1 ? ? +51090 HETATM O O5 . LMG BR 34 . ? -8.651 31.210 53.199 1.00 133.06 ? 101 LMG z O5 1 ? ? +51091 HETATM C C6 . LMG BR 34 . ? -9.305 31.990 54.203 1.00 133.90 ? 101 LMG z C6 1 ? ? +51092 HETATM O O6 . LMG BR 34 . ? -11.039 32.263 52.621 1.00 133.77 ? 101 LMG z O6 1 ? ? +51093 HETATM C C7 . LMG BR 34 . ? -12.088 33.922 50.745 1.00 125.58 ? 101 LMG z C7 1 ? ? +51094 HETATM C C8 . LMG BR 34 . ? -12.938 34.545 49.665 1.00 123.15 ? 101 LMG z C8 1 ? ? +51095 HETATM C C9 . LMG BR 34 . ? -14.382 34.699 50.101 1.00 124.61 ? 101 LMG z C9 1 ? ? +51096 HETATM O O7 . LMG BR 34 . ? -12.417 35.850 49.284 1.00 120.59 ? 101 LMG z O7 1 ? ? +51097 HETATM C C10 . LMG BR 34 . ? -11.209 35.939 48.701 1.00 118.27 ? 101 LMG z C10 1 ? ? +51098 HETATM O O9 . LMG BR 34 . ? -10.447 35.010 48.610 1.00 117.46 ? 101 LMG z O9 1 ? ? +51099 HETATM C C11 . LMG BR 34 . ? -10.932 37.308 48.119 1.00 117.49 ? 101 LMG z C11 1 ? ? +51100 HETATM C C12 . LMG BR 34 . ? -12.075 38.296 48.245 1.00 117.13 ? 101 LMG z C12 1 ? ? +51101 HETATM C C13 . LMG BR 34 . ? -12.583 38.830 46.903 1.00 115.53 ? 101 LMG z C13 1 ? ? +51102 HETATM C C14 . LMG BR 34 . ? -13.630 37.959 46.222 1.00 113.59 ? 101 LMG z C14 1 ? ? +51103 HETATM C C15 . LMG BR 34 . ? -13.958 38.345 44.783 1.00 110.96 ? 101 LMG z C15 1 ? ? +51104 HETATM C C16 . LMG BR 34 . ? -15.177 39.245 44.618 1.00 109.30 ? 101 LMG z C16 1 ? ? +51105 HETATM C C17 . LMG BR 34 . ? -15.969 39.025 43.338 1.00 105.71 ? 101 LMG z C17 1 ? ? +51106 HETATM C C18 . LMG BR 34 . ? -15.140 39.003 42.064 1.00 101.87 ? 101 LMG z C18 1 ? ? +51107 HETATM C C19 . LMG BR 34 . ? -14.355 40.267 41.791 1.00 99.58 ? 101 LMG z C19 1 ? ? +51108 HETATM C C20 . LMG BR 34 . ? -13.354 40.144 40.669 1.00 96.75 ? 101 LMG z C20 1 ? ? +51109 HETATM C C21 . LMG BR 34 . ? -12.499 41.367 40.460 1.00 95.31 ? 101 LMG z C21 1 ? ? +51110 HETATM C C22 . LMG BR 34 . ? -11.027 41.081 40.314 1.00 93.76 ? 101 LMG z C22 1 ? ? +51111 HETATM C C23 . LMG BR 34 . ? -10.300 42.044 39.412 1.00 92.82 ? 101 LMG z C23 1 ? ? +51112 HETATM C C24 . LMG BR 34 . ? -8.858 41.697 39.183 1.00 91.65 ? 101 LMG z C24 1 ? ? +51113 HETATM C C25 . LMG BR 34 . ? -8.098 42.687 38.337 1.00 91.66 ? 101 LMG z C25 1 ? ? +51114 HETATM O O8 . LMG BR 34 . ? -15.081 35.615 49.220 1.00 125.63 ? 101 LMG z O8 1 ? ? +51115 HETATM C C28 . LMG BR 34 . ? -16.395 35.767 49.422 1.00 125.67 ? 101 LMG z C28 1 ? ? +51116 HETATM O O10 . LMG BR 34 . ? -17.014 35.175 50.269 1.00 125.74 ? 101 LMG z O10 1 ? ? +51117 HETATM C C29 . LMG BR 34 . ? -17.016 36.786 48.489 1.00 124.41 ? 101 LMG z C29 1 ? ? +51118 HETATM C C30 . LMG BR 34 . ? -17.047 36.366 47.044 1.00 122.77 ? 101 LMG z C30 1 ? ? +51119 HETATM C C31 . LMG BR 34 . ? -17.948 37.244 46.186 1.00 120.85 ? 101 LMG z C31 1 ? ? +51120 HETATM C C1 . GOL BS 38 . ? 20.722 -17.872 -39.834 1.00 71.79 ? 418 GOL A C1 1 ? ? +51121 HETATM O O1 . GOL BS 38 . ? 21.983 -18.108 -39.194 1.00 78.34 ? 418 GOL A O1 1 ? ? +51122 HETATM C C2 . GOL BS 38 . ? 19.863 -19.119 -39.933 1.00 69.01 ? 418 GOL A C2 1 ? ? +51123 HETATM O O2 . GOL BS 38 . ? 19.412 -19.476 -38.621 1.00 67.74 ? 418 GOL A O2 1 ? ? +51124 HETATM C C3 . GOL BS 38 . ? 18.667 -18.952 -40.865 1.00 68.38 ? 418 GOL A C3 1 ? ? +51125 HETATM O O3 . GOL BS 38 . ? 18.308 -20.145 -41.569 1.00 63.18 ? 418 GOL A O3 1 ? ? +51126 HETATM C C1 . GOL BT 38 . ? -8.618 -30.664 -55.866 1.00 69.20 ? 624 GOL B C1 1 ? ? +51127 HETATM O O1 . GOL BT 38 . ? -9.475 -30.768 -56.999 1.00 70.86 ? 624 GOL B O1 1 ? ? +51128 HETATM C C2 . GOL BT 38 . ? -7.868 -31.953 -55.651 1.00 69.01 ? 624 GOL B C2 1 ? ? +51129 HETATM O O2 . GOL BT 38 . ? -8.768 -33.036 -55.874 1.00 68.42 ? 624 GOL B O2 1 ? ? +51130 HETATM C C3 . GOL BT 38 . ? -6.651 -32.068 -56.547 1.00 69.62 ? 624 GOL B C3 1 ? ? +51131 HETATM O O3 . GOL BT 38 . ? -6.314 -33.424 -56.839 1.00 71.23 ? 624 GOL B O3 1 ? ? +51132 HETATM C C1A . DGD BU 36 . ? 16.352 -61.849 -59.063 1.00 62.85 ? 519 DGD C C1A 1 ? ? +51133 HETATM C C2A . DGD BU 36 . ? 16.123 -61.158 -57.741 1.00 64.60 ? 519 DGD C C2A 1 ? ? +51134 HETATM C C3A . DGD BU 36 . ? 17.161 -61.658 -56.736 1.00 66.68 ? 519 DGD C C3A 1 ? ? +51135 HETATM C C4A . DGD BU 36 . ? 16.769 -61.244 -55.324 1.00 67.79 ? 519 DGD C C4A 1 ? ? +51136 HETATM C C5A . DGD BU 36 . ? 17.980 -61.273 -54.400 1.00 69.51 ? 519 DGD C C5A 1 ? ? +51137 HETATM C C6A . DGD BU 36 . ? 17.579 -60.690 -53.056 1.00 70.82 ? 519 DGD C C6A 1 ? ? +51138 HETATM C C7A . DGD BU 36 . ? 18.801 -60.168 -52.313 1.00 72.36 ? 519 DGD C C7A 1 ? ? +51139 HETATM C C8A . DGD BU 36 . ? 18.483 -59.979 -50.834 1.00 73.46 ? 519 DGD C C8A 1 ? ? +51140 HETATM C C9A . DGD BU 36 . ? 19.710 -60.285 -49.984 1.00 74.62 ? 519 DGD C C9A 1 ? ? +51141 HETATM C CAA . DGD BU 36 . ? 19.668 -59.497 -48.676 1.00 75.80 ? 519 DGD C CAA 1 ? ? +51142 HETATM C CBA . DGD BU 36 . ? 18.299 -59.536 -47.983 1.00 75.96 ? 519 DGD C CBA 1 ? ? +51143 HETATM C CCA . DGD BU 36 . ? 18.423 -59.244 -46.486 1.00 76.45 ? 519 DGD C CCA 1 ? ? +51144 HETATM C CDA . DGD BU 36 . ? 17.576 -60.183 -45.649 1.00 77.12 ? 519 DGD C CDA 1 ? ? +51145 HETATM C CEA . DGD BU 36 . ? 18.267 -60.510 -44.332 1.00 78.06 ? 519 DGD C CEA 1 ? ? +51146 HETATM C CFA . DGD BU 36 . ? 17.261 -61.169 -43.379 1.00 79.81 ? 519 DGD C CFA 1 ? ? +51147 HETATM C CGA . DGD BU 36 . ? 17.761 -62.468 -42.741 1.00 79.80 ? 519 DGD C CGA 1 ? ? +51148 HETATM O O1A . DGD BU 36 . ? 15.639 -62.765 -59.411 1.00 63.67 ? 519 DGD C O1A 1 ? ? +51149 HETATM C C1B . DGD BU 36 . ? 20.900 -61.609 -61.466 1.00 58.50 ? 519 DGD C C1B 1 ? ? +51150 HETATM C C2B . DGD BU 36 . ? 21.933 -62.646 -61.127 1.00 60.63 ? 519 DGD C C2B 1 ? ? +51151 HETATM C C3B . DGD BU 36 . ? 23.290 -62.060 -60.778 1.00 61.94 ? 519 DGD C C3B 1 ? ? +51152 HETATM C C4B . DGD BU 36 . ? 23.262 -61.346 -59.436 1.00 63.19 ? 519 DGD C C4B 1 ? ? +51153 HETATM C C5B . DGD BU 36 . ? 22.430 -62.059 -58.392 1.00 64.49 ? 519 DGD C C5B 1 ? ? +51154 HETATM C C6B . DGD BU 36 . ? 22.948 -61.715 -57.014 1.00 66.16 ? 519 DGD C C6B 1 ? ? +51155 HETATM C C7B . DGD BU 36 . ? 21.924 -62.149 -55.993 1.00 68.89 ? 519 DGD C C7B 1 ? ? +51156 HETATM C C8B . DGD BU 36 . ? 22.176 -61.614 -54.598 1.00 71.71 ? 519 DGD C C8B 1 ? ? +51157 HETATM C C9B . DGD BU 36 . ? 23.621 -61.199 -54.315 1.00 74.46 ? 519 DGD C C9B 1 ? ? +51158 HETATM C CAB . DGD BU 36 . ? 23.856 -61.122 -52.811 1.00 77.27 ? 519 DGD C CAB 1 ? ? +51159 HETATM C CBB . DGD BU 36 . ? 23.463 -62.437 -52.135 1.00 80.92 ? 519 DGD C CBB 1 ? ? +51160 HETATM C CCB . DGD BU 36 . ? 23.895 -62.543 -50.676 1.00 84.45 ? 519 DGD C CCB 1 ? ? +51161 HETATM C CDB . DGD BU 36 . ? 25.360 -62.155 -50.499 1.00 88.37 ? 519 DGD C CDB 1 ? ? +51162 HETATM C CEB . DGD BU 36 . ? 25.922 -62.735 -49.203 1.00 91.45 ? 519 DGD C CEB 1 ? ? +51163 HETATM C CFB . DGD BU 36 . ? 26.372 -64.193 -49.330 1.00 93.37 ? 519 DGD C CFB 1 ? ? +51164 HETATM C CGB . DGD BU 36 . ? 27.775 -64.413 -48.760 1.00 93.53 ? 519 DGD C CGB 1 ? ? +51165 HETATM O O1B . DGD BU 36 . ? 21.150 -60.476 -61.760 1.00 56.87 ? 519 DGD C O1B 1 ? ? +51166 HETATM O O1G . DGD BU 36 . ? 17.437 -61.451 -59.929 1.00 59.59 ? 519 DGD C O1G 1 ? ? +51167 HETATM C C1G . DGD BU 36 . ? 17.263 -61.531 -61.330 1.00 58.19 ? 519 DGD C C1G 1 ? ? +51168 HETATM C C2G . DGD BU 36 . ? 18.575 -61.095 -61.926 1.00 57.10 ? 519 DGD C C2G 1 ? ? +51169 HETATM O O2G . DGD BU 36 . ? 19.536 -62.033 -61.459 1.00 57.96 ? 519 DGD C O2G 1 ? ? +51170 HETATM C C3G . DGD BU 36 . ? 18.484 -61.118 -63.433 1.00 56.11 ? 519 DGD C C3G 1 ? ? +51171 HETATM O O3G . DGD BU 36 . ? 17.535 -60.149 -63.767 1.00 54.44 ? 519 DGD C O3G 1 ? ? +51172 HETATM C C1D . DGD BU 36 . ? 17.230 -60.096 -65.136 1.00 53.74 ? 519 DGD C C1D 1 ? ? +51173 HETATM C C2D . DGD BU 36 . ? 15.773 -59.574 -65.219 1.00 53.36 ? 519 DGD C C2D 1 ? ? +51174 HETATM O O2D . DGD BU 36 . ? 14.857 -60.556 -64.783 1.00 53.35 ? 519 DGD C O2D 1 ? ? +51175 HETATM C C3D . DGD BU 36 . ? 15.381 -59.186 -66.629 1.00 53.41 ? 519 DGD C C3D 1 ? ? +51176 HETATM O O3D . DGD BU 36 . ? 14.104 -58.556 -66.586 1.00 53.31 ? 519 DGD C O3D 1 ? ? +51177 HETATM C C4D . DGD BU 36 . ? 16.454 -58.250 -67.200 1.00 53.08 ? 519 DGD C C4D 1 ? ? +51178 HETATM O O4D . DGD BU 36 . ? 16.351 -56.993 -66.512 1.00 52.49 ? 519 DGD C O4D 1 ? ? +51179 HETATM C C5D . DGD BU 36 . ? 17.854 -58.909 -67.074 1.00 53.08 ? 519 DGD C C5D 1 ? ? +51180 HETATM O O5D . DGD BU 36 . ? 18.633 -57.544 -68.894 1.00 52.89 ? 519 DGD C O5D 1 ? ? +51181 HETATM C C6D . DGD BU 36 . ? 18.982 -58.058 -67.611 1.00 52.81 ? 519 DGD C C6D 1 ? ? +51182 HETATM O O6D . DGD BU 36 . ? 18.174 -59.209 -65.723 1.00 53.08 ? 519 DGD C O6D 1 ? ? +51183 HETATM C C1E . DGD BU 36 . ? 19.715 -57.303 -69.791 1.00 52.87 ? 519 DGD C C1E 1 ? ? +51184 HETATM C C2E . DGD BU 36 . ? 19.165 -56.518 -70.988 1.00 52.86 ? 519 DGD C C2E 1 ? ? +51185 HETATM O O2E . DGD BU 36 . ? 18.568 -55.289 -70.588 1.00 52.24 ? 519 DGD C O2E 1 ? ? +51186 HETATM C C3E . DGD BU 36 . ? 18.134 -57.323 -71.744 1.00 53.31 ? 519 DGD C C3E 1 ? ? +51187 HETATM O O3E . DGD BU 36 . ? 17.801 -56.671 -72.968 1.00 53.64 ? 519 DGD C O3E 1 ? ? +51188 HETATM C C4E . DGD BU 36 . ? 18.686 -58.672 -72.126 1.00 53.85 ? 519 DGD C C4E 1 ? ? +51189 HETATM O O4E . DGD BU 36 . ? 19.657 -58.528 -73.165 1.00 54.22 ? 519 DGD C O4E 1 ? ? +51190 HETATM C C5E . DGD BU 36 . ? 19.325 -59.358 -70.923 1.00 53.71 ? 519 DGD C C5E 1 ? ? +51191 HETATM O O6E . DGD BU 36 . ? 20.295 -58.543 -70.241 1.00 53.30 ? 519 DGD C O6E 1 ? ? +51192 HETATM C C6E . DGD BU 36 . ? 19.946 -60.673 -71.333 1.00 54.11 ? 519 DGD C C6E 1 ? ? +51193 HETATM O O5E . DGD BU 36 . ? 20.371 -61.255 -70.104 1.00 54.02 ? 519 DGD C O5E 1 ? ? +51194 HETATM O O6 . SQD BV 29 . ? -8.324 -20.363 9.864 1.00 108.10 ? 410 SQD a O6 1 ? ? +51195 HETATM C C44 . SQD BV 29 . ? -6.974 -20.364 9.358 1.00 97.62 ? 410 SQD a C44 1 ? ? +51196 HETATM C C45 . SQD BV 29 . ? -6.579 -18.931 9.070 1.00 93.22 ? 410 SQD a C45 1 ? ? +51197 HETATM C C46 . SQD BV 29 . ? -6.069 -18.675 7.663 1.00 90.92 ? 410 SQD a C46 1 ? ? +51198 HETATM O O47 . SQD BV 29 . ? -7.730 -18.073 9.307 1.00 90.57 ? 410 SQD a O47 1 ? ? +51199 HETATM C C7 . SQD BV 29 . ? -7.570 -16.986 10.076 1.00 86.72 ? 410 SQD a C7 1 ? ? +51200 HETATM O O49 . SQD BV 29 . ? -6.527 -16.724 10.612 1.00 87.90 ? 410 SQD a O49 1 ? ? +51201 HETATM C C8 . SQD BV 29 . ? -8.808 -16.143 10.172 1.00 84.94 ? 410 SQD a C8 1 ? ? +51202 HETATM C C9 . SQD BV 29 . ? -9.252 -15.571 8.856 1.00 83.55 ? 410 SQD a C9 1 ? ? +51203 HETATM C C10 . SQD BV 29 . ? -8.302 -14.513 8.312 1.00 82.34 ? 410 SQD a C10 1 ? ? +51204 HETATM C C11 . SQD BV 29 . ? -8.738 -13.896 7.006 1.00 81.64 ? 410 SQD a C11 1 ? ? +51205 HETATM C C12 . SQD BV 29 . ? -7.790 -12.837 6.509 1.00 81.12 ? 410 SQD a C12 1 ? ? +51206 HETATM C C13 . SQD BV 29 . ? -8.164 -12.185 5.194 1.00 80.07 ? 410 SQD a C13 1 ? ? +51207 HETATM C C14 . SQD BV 29 . ? -7.340 -10.955 4.898 1.00 78.14 ? 410 SQD a C14 1 ? ? +51208 HETATM C C15 . SQD BV 29 . ? -7.783 -10.148 3.717 1.00 76.79 ? 410 SQD a C15 1 ? ? +51209 HETATM C C16 . SQD BV 29 . ? -6.810 -9.055 3.350 1.00 76.17 ? 410 SQD a C16 1 ? ? +51210 HETATM C C17 . SQD BV 29 . ? -7.276 -8.159 2.238 1.00 76.96 ? 410 SQD a C17 1 ? ? +51211 HETATM C C18 . SQD BV 29 . ? -6.172 -7.470 1.487 1.00 76.78 ? 410 SQD a C18 1 ? ? +51212 HETATM C C19 . SQD BV 29 . ? -5.523 -8.311 0.420 1.00 77.24 ? 410 SQD a C19 1 ? ? +51213 HETATM C C20 . SQD BV 29 . ? -4.151 -7.827 0.021 1.00 80.10 ? 410 SQD a C20 1 ? ? +51214 HETATM C C21 . SQD BV 29 . ? -3.253 -8.866 -0.601 1.00 81.98 ? 410 SQD a C21 1 ? ? +51215 HETATM C C22 . SQD BV 29 . ? -3.884 -9.602 -1.767 1.00 83.32 ? 410 SQD a C22 1 ? ? +51216 HETATM O O48 . SQD BV 29 . ? -6.953 -19.219 6.653 1.00 90.48 ? 410 SQD a O48 1 ? ? +51217 HETATM C C23 . SQD BV 29 . ? -7.272 -18.436 5.615 1.00 91.38 ? 410 SQD a C23 1 ? ? +51218 HETATM O O10 . SQD BV 29 . ? -7.002 -17.266 5.549 1.00 90.25 ? 410 SQD a O10 1 ? ? +51219 HETATM C C24 . SQD BV 29 . ? -7.936 -19.214 4.501 1.00 93.38 ? 410 SQD a C24 1 ? ? +51220 HETATM C C25 . SQD BV 29 . ? -9.300 -18.721 4.094 1.00 95.59 ? 410 SQD a C25 1 ? ? +51221 HETATM C C26 . SQD BV 29 . ? -9.863 -19.496 2.901 1.00 99.08 ? 410 SQD a C26 1 ? ? +51222 HETATM C C27 . SQD BV 29 . ? -11.385 -19.576 2.803 1.00 102.05 ? 410 SQD a C27 1 ? ? +51223 HETATM C C28 . SQD BV 29 . ? -12.001 -18.509 1.926 1.00 106.14 ? 410 SQD a C28 1 ? ? +51224 HETATM C C29 . SQD BV 29 . ? -13.324 -18.869 1.287 1.00 110.74 ? 410 SQD a C29 1 ? ? +51225 HETATM C C30 . SQD BV 29 . ? -14.097 -17.670 0.761 1.00 114.14 ? 410 SQD a C30 1 ? ? +51226 HETATM C C31 . SQD BV 29 . ? -13.379 -16.896 -0.333 1.00 119.68 ? 410 SQD a C31 1 ? ? +51227 HETATM C C32 . SQD BV 29 . ? -13.927 -15.510 -0.607 1.00 123.14 ? 410 SQD a C32 1 ? ? +51228 HETATM C C33 . SQD BV 29 . ? -13.173 -14.742 -1.682 1.00 124.98 ? 410 SQD a C33 1 ? ? +51229 HETATM C C34 . SQD BV 29 . ? -13.860 -14.721 -3.035 1.00 127.31 ? 410 SQD a C34 1 ? ? +51230 HETATM C C35 . SQD BV 29 . ? -13.090 -14.003 -4.127 1.00 127.03 ? 410 SQD a C35 1 ? ? +51231 HETATM C C36 . SQD BV 29 . ? -13.908 -13.686 -5.370 1.00 126.86 ? 410 SQD a C36 1 ? ? +51232 HETATM C C37 . SQD BV 29 . ? -13.225 -12.771 -6.368 1.00 126.05 ? 410 SQD a C37 1 ? ? +51233 HETATM C C38 . SQD BV 29 . ? -14.086 -12.345 -7.541 1.00 122.51 ? 410 SQD a C38 1 ? ? +51234 HETATM C C1 . SQD BV 29 . ? -8.527 -21.050 11.072 1.00 113.73 ? 410 SQD a C1 1 ? ? +51235 HETATM C C2 . SQD BV 29 . ? -9.990 -20.909 11.475 1.00 109.58 ? 410 SQD a C2 1 ? ? +51236 HETATM O O2 . SQD BV 29 . ? -10.380 -19.541 11.447 1.00 104.30 ? 410 SQD a O2 1 ? ? +51237 HETATM C C3 . SQD BV 29 . ? -10.189 -21.484 12.860 1.00 112.59 ? 410 SQD a C3 1 ? ? +51238 HETATM O O3 . SQD BV 29 . ? -11.570 -21.749 13.073 1.00 113.71 ? 410 SQD a O3 1 ? ? +51239 HETATM C C4 . SQD BV 29 . ? -9.370 -22.756 13.075 1.00 117.77 ? 410 SQD a C4 1 ? ? +51240 HETATM O O4 . SQD BV 29 . ? -8.249 -22.458 13.909 1.00 120.08 ? 410 SQD a O4 1 ? ? +51241 HETATM C C5 . SQD BV 29 . ? -8.849 -23.389 11.759 1.00 120.53 ? 410 SQD a C5 1 ? ? +51242 HETATM C C6 . SQD BV 29 . ? -9.908 -24.116 10.944 1.00 120.19 ? 410 SQD a C6 1 ? ? +51243 HETATM O O5 . SQD BV 29 . ? -8.187 -22.416 10.894 1.00 120.37 ? 410 SQD a O5 1 ? ? +51244 HETATM S S . SQD BV 29 . ? -9.325 -25.061 9.560 1.00 118.12 ? 410 SQD a S 1 ? ? +51245 HETATM O O7 . SQD BV 29 . ? -7.893 -25.033 9.547 1.00 116.06 ? 410 SQD a O7 1 ? ? +51246 HETATM O O8 . SQD BV 29 . ? -9.795 -26.488 9.935 1.00 121.70 ? 410 SQD a O8 1 ? ? +51247 HETATM O O9 . SQD BV 29 . ? -10.026 -24.581 8.411 1.00 115.49 ? 410 SQD a O9 1 ? ? +51248 HETATM C C1 . BCR BW 30 . ? 27.029 -5.921 -16.638 1.00 53.27 ? 618 BCR b C1 1 ? ? +51249 HETATM C C2 . BCR BW 30 . ? 25.784 -5.040 -16.804 1.00 53.30 ? 618 BCR b C2 1 ? ? +51250 HETATM C C3 . BCR BW 30 . ? 24.958 -5.376 -18.001 1.00 52.85 ? 618 BCR b C3 1 ? ? +51251 HETATM C C4 . BCR BW 30 . ? 24.520 -6.832 -17.950 1.00 52.43 ? 618 BCR b C4 1 ? ? +51252 HETATM C C5 . BCR BW 30 . ? 25.629 -7.784 -17.592 1.00 52.29 ? 618 BCR b C5 1 ? ? +51253 HETATM C C6 . BCR BW 30 . ? 26.814 -7.353 -17.103 1.00 52.68 ? 618 BCR b C6 1 ? ? +51254 HETATM C C7 . BCR BW 30 . ? 27.943 -8.242 -16.892 1.00 52.01 ? 618 BCR b C7 1 ? ? +51255 HETATM C C8 . BCR BW 30 . ? 28.294 -9.334 -17.632 1.00 51.47 ? 618 BCR b C8 1 ? ? +51256 HETATM C C9 . BCR BW 30 . ? 29.425 -10.145 -17.444 1.00 51.54 ? 618 BCR b C9 1 ? ? +51257 HETATM C C10 . BCR BW 30 . ? 29.853 -10.985 -18.489 1.00 51.48 ? 618 BCR b C10 1 ? ? +51258 HETATM C C11 . BCR BW 30 . ? 30.930 -11.844 -18.535 1.00 51.82 ? 618 BCR b C11 1 ? ? +51259 HETATM C C33 . BCR BW 30 . ? 25.273 -9.223 -17.851 1.00 51.96 ? 618 BCR b C33 1 ? ? +51260 HETATM C C31 . BCR BW 30 . ? 27.444 -5.884 -15.157 1.00 53.69 ? 618 BCR b C31 1 ? ? +51261 HETATM C C32 . BCR BW 30 . ? 28.153 -5.282 -17.466 1.00 53.64 ? 618 BCR b C32 1 ? ? +51262 HETATM C C34 . BCR BW 30 . ? 30.194 -10.184 -16.161 1.00 51.47 ? 618 BCR b C34 1 ? ? +51263 HETATM C C12 . BCR BW 30 . ? 31.370 -12.587 -19.608 1.00 51.84 ? 618 BCR b C12 1 ? ? +51264 HETATM C C13 . BCR BW 30 . ? 32.481 -13.457 -19.699 1.00 52.47 ? 618 BCR b C13 1 ? ? +51265 HETATM C C14 . BCR BW 30 . ? 32.779 -14.147 -20.887 1.00 52.69 ? 618 BCR b C14 1 ? ? +51266 HETATM C C15 . BCR BW 30 . ? 33.742 -15.101 -21.128 1.00 53.17 ? 618 BCR b C15 1 ? ? +51267 HETATM C C16 . BCR BW 30 . ? 33.948 -15.852 -22.266 1.00 53.35 ? 618 BCR b C16 1 ? ? +51268 HETATM C C17 . BCR BW 30 . ? 34.838 -16.872 -22.475 1.00 53.98 ? 618 BCR b C17 1 ? ? +51269 HETATM C C18 . BCR BW 30 . ? 35.057 -17.674 -23.616 1.00 54.86 ? 618 BCR b C18 1 ? ? +51270 HETATM C C19 . BCR BW 30 . ? 36.086 -18.666 -23.627 1.00 55.72 ? 618 BCR b C19 1 ? ? +51271 HETATM C C20 . BCR BW 30 . ? 36.393 -19.620 -24.583 1.00 56.20 ? 618 BCR b C20 1 ? ? +51272 HETATM C C21 . BCR BW 30 . ? 37.361 -20.591 -24.439 1.00 57.66 ? 618 BCR b C21 1 ? ? +51273 HETATM C C22 . BCR BW 30 . ? 37.758 -21.620 -25.306 1.00 58.68 ? 618 BCR b C22 1 ? ? +51274 HETATM C C23 . BCR BW 30 . ? 38.862 -22.442 -24.964 1.00 60.63 ? 618 BCR b C23 1 ? ? +51275 HETATM C C24 . BCR BW 30 . ? 39.557 -23.277 -25.812 1.00 62.01 ? 618 BCR b C24 1 ? ? +51276 HETATM C C25 . BCR BW 30 . ? 40.658 -24.189 -25.512 1.00 63.54 ? 618 BCR b C25 1 ? ? +51277 HETATM C C26 . BCR BW 30 . ? 40.811 -24.844 -24.338 1.00 63.88 ? 618 BCR b C26 1 ? ? +51278 HETATM C C27 . BCR BW 30 . ? 42.090 -25.564 -23.995 1.00 64.86 ? 618 BCR b C27 1 ? ? +51279 HETATM C C28 . BCR BW 30 . ? 43.287 -25.191 -24.864 1.00 64.48 ? 618 BCR b C28 1 ? ? +51280 HETATM C C29 . BCR BW 30 . ? 42.909 -25.166 -26.295 1.00 64.98 ? 618 BCR b C29 1 ? ? +51281 HETATM C C30 . BCR BW 30 . ? 41.727 -24.232 -26.598 1.00 66.20 ? 618 BCR b C30 1 ? ? +51282 HETATM C C35 . BCR BW 30 . ? 33.364 -13.647 -18.515 1.00 52.23 ? 618 BCR b C35 1 ? ? +51283 HETATM C C36 . BCR BW 30 . ? 34.205 -17.475 -24.826 1.00 53.83 ? 618 BCR b C36 1 ? ? +51284 HETATM C C37 . BCR BW 30 . ? 36.938 -21.834 -26.530 1.00 57.88 ? 618 BCR b C37 1 ? ? +51285 HETATM C C38 . BCR BW 30 . ? 39.791 -24.927 -23.238 1.00 63.56 ? 618 BCR b C38 1 ? ? +51286 HETATM C C39 . BCR BW 30 . ? 41.080 -24.645 -27.936 1.00 66.54 ? 618 BCR b C39 1 ? ? +51287 HETATM C C40 . BCR BW 30 . ? 42.341 -22.831 -26.774 1.00 66.84 ? 618 BCR b C40 1 ? ? +51288 HETATM C C1 . BCR BX 30 . ? -19.600 49.833 28.466 1.00 79.31 ? 515 BCR c C1 1 ? ? +51289 HETATM C C2 . BCR BX 30 . ? -18.990 50.966 27.638 1.00 79.32 ? 515 BCR c C2 1 ? ? +51290 HETATM C C3 . BCR BX 30 . ? -17.533 50.792 27.391 1.00 78.68 ? 515 BCR c C3 1 ? ? +51291 HETATM C C4 . BCR BX 30 . ? -16.753 50.681 28.695 1.00 78.90 ? 515 BCR c C4 1 ? ? +51292 HETATM C C5 . BCR BX 30 . ? -17.414 49.823 29.736 1.00 79.15 ? 515 BCR c C5 1 ? ? +51293 HETATM C C6 . BCR BX 30 . ? -18.695 49.405 29.609 1.00 79.34 ? 515 BCR c C6 1 ? ? +51294 HETATM C C7 . BCR BX 30 . ? -19.359 48.549 30.568 1.00 79.58 ? 515 BCR c C7 1 ? ? +51295 HETATM C C8 . BCR BX 30 . ? -18.843 47.477 31.224 1.00 79.25 ? 515 BCR c C8 1 ? ? +51296 HETATM C C9 . BCR BX 30 . ? -19.559 46.618 32.053 1.00 79.48 ? 515 BCR c C9 1 ? ? +51297 HETATM C C10 . BCR BX 30 . ? -19.044 45.362 32.397 1.00 78.80 ? 515 BCR c C10 1 ? ? +51298 HETATM C C11 . BCR BX 30 . ? -19.605 44.409 33.213 1.00 78.94 ? 515 BCR c C11 1 ? ? +51299 HETATM C C33 . BCR BX 30 . ? -16.499 49.519 30.892 1.00 79.30 ? 515 BCR c C33 1 ? ? +51300 HETATM C C31 . BCR BX 30 . ? -19.824 48.628 27.537 1.00 78.48 ? 515 BCR c C31 1 ? ? +51301 HETATM C C32 . BCR BX 30 . ? -20.973 50.297 28.981 1.00 80.08 ? 515 BCR c C32 1 ? ? +51302 HETATM C C34 . BCR BX 30 . ? -20.899 46.990 32.606 1.00 80.40 ? 515 BCR c C34 1 ? ? +51303 HETATM C C12 . BCR BX 30 . ? -19.146 43.136 33.430 1.00 78.31 ? 515 BCR c C12 1 ? ? +51304 HETATM C C13 . BCR BX 30 . ? -19.613 42.166 34.332 1.00 78.37 ? 515 BCR c C13 1 ? ? +51305 HETATM C C14 . BCR BX 30 . ? -19.054 40.884 34.350 1.00 77.59 ? 515 BCR c C14 1 ? ? +51306 HETATM C C15 . BCR BX 30 . ? -19.350 39.810 35.141 1.00 77.59 ? 515 BCR c C15 1 ? ? +51307 HETATM C C16 . BCR BX 30 . ? -18.881 38.525 35.031 1.00 76.86 ? 515 BCR c C16 1 ? ? +51308 HETATM C C17 . BCR BX 30 . ? -19.211 37.427 35.786 1.00 76.90 ? 515 BCR c C17 1 ? ? +51309 HETATM C C18 . BCR BX 30 . ? -18.876 36.078 35.598 1.00 76.17 ? 515 BCR c C18 1 ? ? +51310 HETATM C C19 . BCR BX 30 . ? -19.342 35.104 36.494 1.00 76.34 ? 515 BCR c C19 1 ? ? +51311 HETATM C C20 . BCR BX 30 . ? -19.242 33.738 36.444 1.00 75.84 ? 515 BCR c C20 1 ? ? +51312 HETATM C C21 . BCR BX 30 . ? -19.698 32.894 37.428 1.00 76.29 ? 515 BCR c C21 1 ? ? +51313 HETATM C C22 . BCR BX 30 . ? -19.770 31.501 37.428 1.00 75.99 ? 515 BCR c C22 1 ? ? +51314 HETATM C C23 . BCR BX 30 . ? -20.270 30.809 38.540 1.00 76.66 ? 515 BCR c C23 1 ? ? +51315 HETATM C C24 . BCR BX 30 . ? -20.615 29.488 38.560 1.00 76.51 ? 515 BCR c C24 1 ? ? +51316 HETATM C C25 . BCR BX 30 . ? -21.222 28.725 39.636 1.00 77.17 ? 515 BCR c C25 1 ? ? +51317 HETATM C C26 . BCR BX 30 . ? -20.977 28.926 40.951 1.00 77.81 ? 515 BCR c C26 1 ? ? +51318 HETATM C C27 . BCR BX 30 . ? -21.666 28.094 41.993 1.00 78.52 ? 515 BCR c C27 1 ? ? +51319 HETATM C C28 . BCR BX 30 . ? -23.057 27.647 41.563 1.00 78.78 ? 515 BCR c C28 1 ? ? +51320 HETATM C C29 . BCR BX 30 . ? -23.011 26.986 40.232 1.00 77.87 ? 515 BCR c C29 1 ? ? +51321 HETATM C C30 . BCR BX 30 . ? -22.355 27.839 39.139 1.00 77.27 ? 515 BCR c C30 1 ? ? +51322 HETATM C C35 . BCR BX 30 . ? -20.707 42.510 35.283 1.00 79.18 ? 515 BCR c C35 1 ? ? +51323 HETATM C C36 . BCR BX 30 . ? -18.011 35.683 34.443 1.00 75.16 ? 515 BCR c C36 1 ? ? +51324 HETATM C C37 . BCR BX 30 . ? -19.291 30.805 36.208 1.00 75.04 ? 515 BCR c C37 1 ? ? +51325 HETATM C C38 . BCR BX 30 . ? -20.035 29.942 41.537 1.00 77.93 ? 515 BCR c C38 1 ? ? +51326 HETATM C C39 . BCR BX 30 . ? -23.459 28.725 38.528 1.00 77.65 ? 515 BCR c C39 1 ? ? +51327 HETATM C C40 . BCR BX 30 . ? -21.839 26.885 38.048 1.00 76.22 ? 515 BCR c C40 1 ? ? +51328 HETATM C C1 . GOL BY 38 . ? 12.606 23.838 -23.941 1.00 71.12 ? 413 GOL d C1 1 ? ? +51329 HETATM O O1 . GOL BY 38 . ? 13.503 22.737 -23.820 1.00 68.77 ? 413 GOL d O1 1 ? ? +51330 HETATM C C2 . GOL BY 38 . ? 11.207 23.393 -24.321 1.00 71.82 ? 413 GOL d C2 1 ? ? +51331 HETATM O O2 . GOL BY 38 . ? 10.241 24.249 -23.716 1.00 71.79 ? 413 GOL d O2 1 ? ? +51332 HETATM C C3 . GOL BY 38 . ? 10.948 23.368 -25.814 1.00 72.30 ? 413 GOL d C3 1 ? ? +51333 HETATM O O3 . GOL BY 38 . ? 9.696 22.748 -26.096 1.00 70.95 ? 413 GOL d O3 1 ? ? +51334 HETATM O O1 A LHG BZ 39 . ? 18.219 -48.243 -14.876 0.40 57.06 ? 419 LHG A O1 1 ? ? +51335 HETATM O O1 B LHG BZ 39 . ? 18.195 -48.287 -15.132 0.60 57.68 ? 419 LHG A O1 1 ? ? +51336 HETATM C C1 A LHG BZ 39 . ? 17.195 -47.262 -15.020 0.40 56.50 ? 419 LHG A C1 1 ? ? +51337 HETATM C C1 B LHG BZ 39 . ? 17.215 -47.257 -15.044 0.60 57.00 ? 419 LHG A C1 1 ? ? +51338 HETATM C C2 A LHG BZ 39 . ? 16.049 -47.539 -14.074 0.40 56.67 ? 419 LHG A C2 1 ? ? +51339 HETATM C C2 B LHG BZ 39 . ? 16.115 -47.640 -14.082 0.60 57.22 ? 419 LHG A C2 1 ? ? +51340 HETATM O O2 A LHG BZ 39 . ? 16.504 -48.309 -12.963 0.40 57.88 ? 419 LHG A O2 1 ? ? +51341 HETATM O O2 B LHG BZ 39 . ? 16.610 -48.543 -13.094 0.60 58.78 ? 419 LHG A O2 1 ? ? +51342 HETATM C C3 A LHG BZ 39 . ? 14.902 -48.290 -14.703 0.40 56.16 ? 419 LHG A C3 1 ? ? +51343 HETATM C C3 B LHG BZ 39 . ? 14.925 -48.307 -14.726 0.60 56.45 ? 419 LHG A C3 1 ? ? +51344 HETATM O O3 A LHG BZ 39 . ? 13.783 -48.115 -13.804 0.40 55.86 ? 419 LHG A O3 1 ? ? +51345 HETATM O O3 B LHG BZ 39 . ? 13.940 -48.343 -13.669 0.60 56.13 ? 419 LHG A O3 1 ? ? +51346 HETATM P P A LHG BZ 39 . ? 12.462 -49.001 -13.991 0.40 55.34 ? 419 LHG A P 1 ? ? +51347 HETATM P P B LHG BZ 39 . ? 12.465 -48.906 -13.943 0.60 55.19 ? 419 LHG A P 1 ? ? +51348 HETATM O O4 A LHG BZ 39 . ? 12.846 -50.433 -14.229 0.40 56.05 ? 419 LHG A O4 1 ? ? +51349 HETATM O O4 B LHG BZ 39 . ? 12.527 -50.397 -14.071 0.60 55.94 ? 419 LHG A O4 1 ? ? +51350 HETATM O O5 A LHG BZ 39 . ? 11.535 -48.642 -12.864 0.40 55.69 ? 419 LHG A O5 1 ? ? +51351 HETATM O O5 B LHG BZ 39 . ? 11.569 -48.273 -12.916 0.60 55.57 ? 419 LHG A O5 1 ? ? +51352 HETATM O O6 A LHG BZ 39 . ? 11.889 -48.456 -15.380 0.40 55.07 ? 419 LHG A O6 1 ? ? +51353 HETATM O O6 B LHG BZ 39 . ? 12.130 -48.350 -15.401 0.60 55.12 ? 419 LHG A O6 1 ? ? +51354 HETATM C C4 A LHG BZ 39 . ? 11.454 -47.084 -15.456 0.40 54.98 ? 419 LHG A C4 1 ? ? +51355 HETATM C C4 B LHG BZ 39 . ? 11.490 -47.070 -15.510 0.60 55.46 ? 419 LHG A C4 1 ? ? +51356 HETATM C C5 A LHG BZ 39 . ? 11.725 -46.605 -16.859 0.40 54.88 ? 419 LHG A C5 1 ? ? +51357 HETATM C C5 B LHG BZ 39 . ? 11.711 -46.585 -16.916 0.60 55.76 ? 419 LHG A C5 1 ? ? +51358 HETATM C C6 A LHG BZ 39 . ? 11.095 -47.467 -17.926 0.40 54.88 ? 419 LHG A C6 1 ? ? +51359 HETATM C C6 B LHG BZ 39 . ? 11.068 -47.450 -17.972 0.60 55.86 ? 419 LHG A C6 1 ? ? +51360 HETATM O O7 A LHG BZ 39 . ? 11.212 -45.256 -16.968 0.40 55.31 ? 419 LHG A O7 1 ? ? +51361 HETATM O O7 B LHG BZ 39 . ? 11.168 -45.245 -16.952 0.60 56.88 ? 419 LHG A O7 1 ? ? +51362 HETATM C C7 A LHG BZ 39 . ? 12.069 -44.254 -16.735 0.40 56.53 ? 419 LHG A C7 1 ? ? +51363 HETATM C C7 B LHG BZ 39 . ? 11.988 -44.235 -17.272 0.60 59.32 ? 419 LHG A C7 1 ? ? +51364 HETATM O O9 A LHG BZ 39 . ? 13.235 -44.433 -16.495 0.40 56.37 ? 419 LHG A O9 1 ? ? +51365 HETATM O O9 B LHG BZ 39 . ? 13.093 -44.376 -17.729 0.60 58.67 ? 419 LHG A O9 1 ? ? +51366 HETATM C C8 A LHG BZ 39 . ? 11.402 -42.917 -16.791 0.40 57.19 ? 419 LHG A C8 1 ? ? +51367 HETATM C C8 B LHG BZ 39 . ? 11.380 -42.923 -16.900 0.60 61.14 ? 419 LHG A C8 1 ? ? +51368 HETATM C C9 A LHG BZ 39 . ? 12.303 -41.848 -17.284 0.40 57.71 ? 419 LHG A C9 1 ? ? +51369 HETATM C C9 B LHG BZ 39 . ? 12.167 -41.770 -17.384 0.60 62.77 ? 419 LHG A C9 1 ? ? +51370 HETATM C C10 A LHG BZ 39 . ? 12.255 -41.702 -18.796 0.40 58.46 ? 419 LHG A C10 1 ? ? +51371 HETATM C C10 B LHG BZ 39 . ? 12.177 -41.685 -18.900 0.60 64.81 ? 419 LHG A C10 1 ? ? +51372 HETATM O O8 A LHG BZ 39 . ? 11.304 -46.819 -19.197 0.40 54.49 ? 419 LHG A O8 1 ? ? +51373 HETATM O O8 B LHG BZ 39 . ? 11.278 -46.809 -19.248 0.60 55.73 ? 419 LHG A O8 1 ? ? +51374 HETATM C C23 A LHG BZ 39 . ? 11.202 -47.592 -20.270 0.40 54.65 ? 419 LHG A C23 1 ? ? +51375 HETATM C C23 B LHG BZ 39 . ? 11.247 -47.586 -20.324 0.60 56.24 ? 419 LHG A C23 1 ? ? +51376 HETATM O O10 A LHG BZ 39 . ? 10.896 -48.752 -20.205 0.40 55.19 ? 419 LHG A O10 1 ? ? +51377 HETATM O O10 B LHG BZ 39 . ? 10.976 -48.756 -20.276 0.60 56.92 ? 419 LHG A O10 1 ? ? +51378 HETATM C C24 A LHG BZ 39 . ? 11.520 -46.832 -21.532 0.40 54.20 ? 419 LHG A C24 1 ? ? +51379 HETATM C C24 B LHG BZ 39 . ? 11.602 -46.817 -21.575 0.60 55.97 ? 419 LHG A C24 1 ? ? +51380 HETATM C C11 A LHG BZ 39 . ? 12.881 -40.432 -19.281 0.40 59.21 ? 419 LHG A C11 1 ? ? +51381 HETATM C C11 B LHG BZ 39 . ? 12.987 -40.549 -19.413 0.60 67.22 ? 419 LHG A C11 1 ? ? +51382 HETATM C C12 A LHG BZ 39 . ? 12.712 -40.182 -20.745 0.40 60.23 ? 419 LHG A C12 1 ? ? +51383 HETATM C C12 B LHG BZ 39 . ? 12.672 -40.168 -20.818 0.60 70.17 ? 419 LHG A C12 1 ? ? +51384 HETATM C C13 A LHG BZ 39 . ? 13.658 -39.146 -21.270 0.40 61.44 ? 419 LHG A C13 1 ? ? +51385 HETATM C C13 B LHG BZ 39 . ? 13.640 -39.174 -21.375 0.60 73.82 ? 419 LHG A C13 1 ? ? +51386 HETATM C C14 A LHG BZ 39 . ? 13.399 -37.772 -20.718 0.40 62.67 ? 419 LHG A C14 1 ? ? +51387 HETATM C C14 B LHG BZ 39 . ? 13.449 -37.785 -20.831 0.60 77.62 ? 419 LHG A C14 1 ? ? +51388 HETATM C C15 A LHG BZ 39 . ? 12.580 -36.915 -21.638 0.40 63.69 ? 419 LHG A C15 1 ? ? +51389 HETATM C C15 B LHG BZ 39 . ? 12.771 -36.869 -21.802 0.60 81.17 ? 419 LHG A C15 1 ? ? +51390 HETATM C C16 A LHG BZ 39 . ? 12.445 -35.479 -21.210 0.40 64.53 ? 419 LHG A C16 1 ? ? +51391 HETATM C C16 B LHG BZ 39 . ? 12.682 -35.435 -21.367 0.60 83.72 ? 419 LHG A C16 1 ? ? +51392 HETATM C C17 A LHG BZ 39 . ? 11.733 -34.627 -22.228 0.40 65.46 ? 419 LHG A C17 1 ? ? +51393 HETATM C C17 B LHG BZ 39 . ? 11.962 -34.581 -22.371 0.60 86.79 ? 419 LHG A C17 1 ? ? +51394 HETATM C C18 A LHG BZ 39 . ? 11.566 -33.187 -21.826 0.40 65.56 ? 419 LHG A C18 1 ? ? +51395 HETATM C C18 B LHG BZ 39 . ? 11.663 -33.188 -21.905 0.60 87.86 ? 419 LHG A C18 1 ? ? +51396 HETATM C C19 A LHG BZ 39 . ? 12.853 -32.418 -21.738 0.40 64.52 ? 419 LHG A C19 1 ? ? +51397 HETATM C C19 B LHG BZ 39 . ? 12.881 -32.358 -21.621 0.60 85.74 ? 419 LHG A C19 1 ? ? +51398 HETATM C C20 A LHG BZ 39 . ? 12.668 -30.936 -21.921 0.40 64.36 ? 419 LHG A C20 1 ? ? +51399 HETATM C C20 B LHG BZ 39 . ? 12.681 -30.887 -21.884 0.60 86.44 ? 419 LHG A C20 1 ? ? +51400 HETATM C C21 A LHG BZ 39 . ? 11.413 -30.401 -21.271 0.40 64.23 ? 419 LHG A C21 1 ? ? +51401 HETATM C C21 B LHG BZ 39 . ? 11.403 -30.310 -21.313 0.60 86.78 ? 419 LHG A C21 1 ? ? +51402 HETATM C C22 A LHG BZ 39 . ? 11.293 -28.896 -21.326 0.40 64.05 ? 419 LHG A C22 1 ? ? +51403 HETATM C C22 B LHG BZ 39 . ? 11.280 -28.820 -21.518 0.60 87.30 ? 419 LHG A C22 1 ? ? +51404 HETATM C C25 A LHG BZ 39 . ? 10.301 -46.276 -22.189 0.40 54.09 ? 419 LHG A C25 1 ? ? +51405 HETATM C C25 B LHG BZ 39 . ? 10.395 -46.394 -22.340 0.60 56.14 ? 419 LHG A C25 1 ? ? +51406 HETATM C C26 A LHG BZ 39 . ? 10.593 -45.247 -23.270 0.40 53.66 ? 419 LHG A C26 1 ? ? +51407 HETATM C C26 B LHG BZ 39 . ? 10.630 -45.227 -23.288 0.60 55.83 ? 419 LHG A C26 1 ? ? +51408 HETATM C C27 A LHG BZ 39 . ? 9.397 -44.969 -24.157 0.40 53.64 ? 419 LHG A C27 1 ? ? +51409 HETATM C C27 B LHG BZ 39 . ? 9.393 -44.883 -24.100 0.60 55.95 ? 419 LHG A C27 1 ? ? +51410 HETATM C C28 A LHG BZ 39 . ? 9.330 -43.576 -24.735 0.40 53.37 ? 419 LHG A C28 1 ? ? +51411 HETATM C C28 B LHG BZ 39 . ? 9.342 -43.483 -24.666 0.60 55.92 ? 419 LHG A C28 1 ? ? +51412 HETATM C C29 A LHG BZ 39 . ? 7.957 -42.934 -24.650 0.40 53.40 ? 419 LHG A C29 1 ? ? +51413 HETATM C C29 B LHG BZ 39 . ? 7.960 -42.844 -24.628 0.60 56.04 ? 419 LHG A C29 1 ? ? +51414 HETATM C C30 A LHG BZ 39 . ? 7.917 -41.480 -25.068 0.40 53.14 ? 419 LHG A C30 1 ? ? +51415 HETATM C C30 B LHG BZ 39 . ? 7.907 -41.408 -25.121 0.60 55.93 ? 419 LHG A C30 1 ? ? +51416 HETATM C C31 A LHG BZ 39 . ? 8.666 -40.542 -24.142 0.40 53.12 ? 419 LHG A C31 1 ? ? +51417 HETATM C C31 B LHG BZ 39 . ? 8.576 -40.392 -24.208 0.60 56.12 ? 419 LHG A C31 1 ? ? +51418 HETATM C C32 A LHG BZ 39 . ? 7.878 -40.111 -22.926 0.40 53.22 ? 419 LHG A C32 1 ? ? +51419 HETATM C C32 B LHG BZ 39 . ? 7.802 -40.089 -22.941 0.60 56.36 ? 419 LHG A C32 1 ? ? +51420 HETATM C C33 A LHG BZ 39 . ? 8.723 -39.735 -21.728 0.40 53.00 ? 419 LHG A C33 1 ? ? +51421 HETATM C C33 B LHG BZ 39 . ? 8.649 -39.691 -21.747 0.60 56.06 ? 419 LHG A C33 1 ? ? +51422 HETATM C C34 A LHG BZ 39 . ? 7.952 -39.647 -20.433 0.40 52.96 ? 419 LHG A C34 1 ? ? +51423 HETATM C C34 B LHG BZ 39 . ? 7.914 -39.755 -20.426 0.60 55.90 ? 419 LHG A C34 1 ? ? +51424 HETATM C C35 A LHG BZ 39 . ? 8.633 -40.284 -19.243 0.40 52.98 ? 419 LHG A C35 1 ? ? +51425 HETATM C C35 B LHG BZ 39 . ? 8.763 -40.113 -19.227 0.60 55.71 ? 419 LHG A C35 1 ? ? +51426 HETATM C C36 A LHG BZ 39 . ? 8.198 -39.725 -17.906 0.40 52.96 ? 419 LHG A C36 1 ? ? +51427 HETATM C C36 B LHG BZ 39 . ? 8.231 -39.598 -17.903 0.60 55.58 ? 419 LHG A C36 1 ? ? +51428 HETATM C C37 A LHG BZ 39 . ? 7.913 -40.771 -16.857 0.40 53.36 ? 419 LHG A C37 1 ? ? +51429 HETATM C C37 B LHG BZ 39 . ? 8.118 -40.641 -16.818 0.60 55.93 ? 419 LHG A C37 1 ? ? +51430 HETATM C C38 A LHG BZ 39 . ? 7.873 -40.246 -15.439 0.40 53.40 ? 419 LHG A C38 1 ? ? +51431 HETATM C C38 B LHG BZ 39 . ? 7.878 -40.085 -15.431 0.60 55.89 ? 419 LHG A C38 1 ? ? +51432 HETATM C C1 . HTG CA 35 . ? -22.168 -7.874 -16.857 1.00 77.57 ? 625 HTG B C1 1 ? ? +51433 HETATM S S1 . HTG CA 35 . ? -21.531 -8.161 -15.196 1.00 78.37 ? 625 HTG B S1 1 ? ? +51434 HETATM C C2 . HTG CA 35 . ? -23.670 -8.119 -16.853 1.00 78.00 ? 625 HTG B C2 1 ? ? +51435 HETATM O O2 . HTG CA 35 . ? -23.974 -9.385 -16.275 1.00 78.64 ? 625 HTG B O2 1 ? ? +51436 HETATM C C3 . HTG CA 35 . ? -24.160 -8.084 -18.294 1.00 77.25 ? 625 HTG B C3 1 ? ? +51437 HETATM O O3 . HTG CA 35 . ? -25.570 -8.260 -18.347 1.00 77.30 ? 625 HTG B O3 1 ? ? +51438 HETATM C C4 . HTG CA 35 . ? -23.772 -6.783 -18.971 1.00 77.09 ? 625 HTG B C4 1 ? ? +51439 HETATM O O4 . HTG CA 35 . ? -23.872 -6.948 -20.385 1.00 75.86 ? 625 HTG B O4 1 ? ? +51440 HETATM C C5 . HTG CA 35 . ? -22.323 -6.332 -18.673 1.00 77.34 ? 625 HTG B C5 1 ? ? +51441 HETATM O O5 . HTG CA 35 . ? -21.930 -6.547 -17.302 1.00 77.54 ? 625 HTG B O5 1 ? ? +51442 HETATM C C6 . HTG CA 35 . ? -22.163 -4.850 -18.945 1.00 77.35 ? 625 HTG B C6 1 ? ? +51443 HETATM O O6 . HTG CA 35 . ? -22.734 -4.524 -20.209 1.00 76.92 ? 625 HTG B O6 1 ? ? +51444 HETATM C C1' . HTG CA 35 . ? -19.777 -7.709 -15.359 1.00 77.62 ? 625 HTG B C1' 1 ? ? +51445 HETATM C C2' . HTG CA 35 . ? -19.211 -7.462 -13.985 1.00 77.90 ? 625 HTG B C2' 1 ? ? +51446 HETATM C C3' . HTG CA 35 . ? -17.831 -8.030 -13.813 1.00 78.43 ? 625 HTG B C3' 1 ? ? +51447 HETATM C C4' . HTG CA 35 . ? -17.179 -7.629 -12.519 1.00 78.82 ? 625 HTG B C4' 1 ? ? +51448 HETATM C C5' . HTG CA 35 . ? -16.167 -8.626 -12.027 1.00 81.59 ? 625 HTG B C5' 1 ? ? +51449 HETATM C C6' . HTG CA 35 . ? -15.343 -8.195 -10.839 1.00 83.34 ? 625 HTG B C6' 1 ? ? +51450 HETATM C C7' . HTG CA 35 . ? -15.101 -9.306 -9.838 1.00 84.63 ? 625 HTG B C7' 1 ? ? +51451 HETATM C C1 . LMG CB 34 . ? 26.034 -66.794 -70.806 1.00 69.57 ? 520 LMG C C1 1 ? ? +51452 HETATM O O1 . LMG CB 34 . ? 26.346 -67.940 -70.063 1.00 72.79 ? 520 LMG C O1 1 ? ? +51453 HETATM C C2 . LMG CB 34 . ? 27.149 -65.778 -70.563 1.00 68.40 ? 520 LMG C C2 1 ? ? +51454 HETATM O O2 . LMG CB 34 . ? 27.115 -65.297 -69.221 1.00 67.09 ? 520 LMG C O2 1 ? ? +51455 HETATM C C3 . LMG CB 34 . ? 27.040 -64.629 -71.533 1.00 67.81 ? 520 LMG C C3 1 ? ? +51456 HETATM O O3 . LMG CB 34 . ? 28.124 -63.733 -71.336 1.00 67.74 ? 520 LMG C O3 1 ? ? +51457 HETATM C C4 . LMG CB 34 . ? 27.021 -65.153 -72.954 1.00 68.50 ? 520 LMG C C4 1 ? ? +51458 HETATM O O4 . LMG CB 34 . ? 28.207 -65.896 -73.252 1.00 68.09 ? 520 LMG C O4 1 ? ? +51459 HETATM C C5 . LMG CB 34 . ? 25.809 -66.053 -73.098 1.00 68.90 ? 520 LMG C C5 1 ? ? +51460 HETATM O O5 . LMG CB 34 . ? 24.906 -67.833 -74.468 1.00 70.55 ? 520 LMG C O5 1 ? ? +51461 HETATM C C6 . LMG CB 34 . ? 25.661 -66.624 -74.488 1.00 69.62 ? 520 LMG C C6 1 ? ? +51462 HETATM O O6 . LMG CB 34 . ? 25.946 -67.164 -72.177 1.00 69.06 ? 520 LMG C O6 1 ? ? +51463 HETATM C C7 . LMG CB 34 . ? 25.237 -68.752 -69.640 1.00 74.94 ? 520 LMG C C7 1 ? ? +51464 HETATM C C8 . LMG CB 34 . ? 25.789 -69.635 -68.547 1.00 77.77 ? 520 LMG C C8 1 ? ? +51465 HETATM C C9 . LMG CB 34 . ? 25.742 -68.964 -67.195 1.00 78.19 ? 520 LMG C C9 1 ? ? +51466 HETATM O O7 . LMG CB 34 . ? 25.028 -70.864 -68.441 1.00 82.14 ? 520 LMG C O7 1 ? ? +51467 HETATM C C10 . LMG CB 34 . ? 25.343 -71.889 -69.247 1.00 87.04 ? 520 LMG C C10 1 ? ? +51468 HETATM O O9 . LMG CB 34 . ? 26.152 -71.811 -70.134 1.00 88.59 ? 520 LMG C O9 1 ? ? +51469 HETATM C C11 . LMG CB 34 . ? 24.598 -73.128 -68.850 1.00 89.58 ? 520 LMG C C11 1 ? ? +51470 HETATM C C12 . LMG CB 34 . ? 24.838 -73.512 -67.420 1.00 92.09 ? 520 LMG C C12 1 ? ? +51471 HETATM C C13 . LMG CB 34 . ? 23.963 -74.665 -66.967 1.00 95.14 ? 520 LMG C C13 1 ? ? +51472 HETATM C C14 . LMG CB 34 . ? 23.594 -74.628 -65.506 1.00 96.42 ? 520 LMG C C14 1 ? ? +51473 HETATM C C15 . LMG CB 34 . ? 24.771 -74.646 -64.563 1.00 97.19 ? 520 LMG C C15 1 ? ? +51474 HETATM C C16 . LMG CB 34 . ? 24.383 -74.907 -63.131 1.00 98.36 ? 520 LMG C C16 1 ? ? +51475 HETATM C C17 . LMG CB 34 . ? 25.549 -75.103 -62.197 1.00 100.44 ? 520 LMG C C17 1 ? ? +51476 HETATM C C18 . LMG CB 34 . ? 25.174 -75.727 -60.868 1.00 101.19 ? 520 LMG C C18 1 ? ? +51477 HETATM C C19 . LMG CB 34 . ? 25.138 -74.768 -59.699 1.00 100.27 ? 520 LMG C C19 1 ? ? +51478 HETATM C C20 . LMG CB 34 . ? 25.883 -75.258 -58.482 1.00 100.93 ? 520 LMG C C20 1 ? ? +51479 HETATM C C21 . LMG CB 34 . ? 26.064 -74.219 -57.407 1.00 101.21 ? 520 LMG C C21 1 ? ? +51480 HETATM C C22 . LMG CB 34 . ? 26.767 -74.727 -56.167 1.00 102.33 ? 520 LMG C C22 1 ? ? +51481 HETATM C C23 . LMG CB 34 . ? 26.765 -73.757 -55.006 1.00 103.05 ? 520 LMG C C23 1 ? ? +51482 HETATM C C24 . LMG CB 34 . ? 25.384 -73.381 -54.514 1.00 104.35 ? 520 LMG C C24 1 ? ? +51483 HETATM C C25 . LMG CB 34 . ? 25.348 -72.577 -53.230 1.00 103.99 ? 520 LMG C C25 1 ? ? +51484 HETATM O O8 . LMG CB 34 . ? 26.328 -69.817 -66.181 1.00 80.07 ? 520 LMG C O8 1 ? ? +51485 HETATM C C28 . LMG CB 34 . ? 25.643 -69.921 -65.042 1.00 82.78 ? 520 LMG C C28 1 ? ? +51486 HETATM O O10 . LMG CB 34 . ? 24.544 -69.461 -64.900 1.00 83.04 ? 520 LMG C O10 1 ? ? +51487 HETATM C C29 . LMG CB 34 . ? 26.401 -70.621 -63.933 1.00 84.56 ? 520 LMG C C29 1 ? ? +51488 HETATM C C30 . LMG CB 34 . ? 26.144 -69.999 -62.574 1.00 85.64 ? 520 LMG C C30 1 ? ? +51489 HETATM C C31 . LMG CB 34 . ? 26.777 -70.752 -61.407 1.00 87.64 ? 520 LMG C C31 1 ? ? +51490 HETATM C C32 . LMG CB 34 . ? 27.197 -69.866 -60.238 1.00 88.67 ? 520 LMG C C32 1 ? ? +51491 HETATM C C33 . LMG CB 34 . ? 26.975 -70.470 -58.861 1.00 90.73 ? 520 LMG C C33 1 ? ? +51492 HETATM C C34 . LMG CB 34 . ? 28.090 -70.217 -57.871 1.00 92.94 ? 520 LMG C C34 1 ? ? +51493 HETATM C C35 . LMG CB 34 . ? 28.146 -68.801 -57.323 1.00 94.40 ? 520 LMG C C35 1 ? ? +51494 HETATM C C36 . LMG CB 34 . ? 29.238 -68.562 -56.278 1.00 95.13 ? 520 LMG C C36 1 ? ? +51495 HETATM C C37 . LMG CB 34 . ? 29.883 -67.189 -56.332 1.00 94.33 ? 520 LMG C C37 1 ? ? +51496 HETATM C C38 . LMG CB 34 . ? 31.144 -67.038 -55.508 1.00 94.44 ? 520 LMG C C38 1 ? ? +51497 HETATM C C39 . LMG CB 34 . ? 32.250 -66.259 -56.205 1.00 97.20 ? 520 LMG C C39 1 ? ? +51498 HETATM C C40 . LMG CB 34 . ? 33.159 -65.457 -55.288 1.00 97.59 ? 520 LMG C C40 1 ? ? +51499 HETATM C C41 . LMG CB 34 . ? 34.130 -64.542 -56.009 1.00 96.89 ? 520 LMG C C41 1 ? ? +51500 HETATM C C42 . LMG CB 34 . ? 34.661 -63.396 -55.171 1.00 95.96 ? 520 LMG C C42 1 ? ? +51501 HETATM C C43 . LMG CB 34 . ? 33.713 -62.226 -55.023 1.00 93.14 ? 520 LMG C C43 1 ? ? +51502 HETATM MG MG . MG CC 40 . ? 10.302 -65.590 -66.328 1.00 56.80 2 102 MG J MG 1 ? ? +51503 HETATM O O1 A OEX CD 41 . ? -5.672 23.745 -11.126 0.40 54.45 ? 411 OEX a O1 1 ? ? +51504 HETATM O O1 B OEX CD 41 . ? -5.688 23.662 -11.065 0.60 53.60 ? 411 OEX a O1 1 ? ? +51505 HETATM CA CA1 A OEX CD 41 . ? -5.786 22.200 -9.438 0.40 54.80 ? 411 OEX a CA1 1 ? ? +51506 HETATM CA CA1 B OEX CD 41 . ? -5.895 22.216 -9.284 0.60 53.89 ? 411 OEX a CA1 1 ? ? +51507 HETATM MN MN1 A OEX CD 41 . ? -4.233 24.075 -12.273 0.40 53.69 ? 411 OEX a MN1 1 ? ? +51508 HETATM MN MN1 B OEX CD 41 . ? -4.246 23.925 -12.215 0.60 52.82 ? 411 OEX a MN1 1 ? ? +51509 HETATM O O2 A OEX CD 41 . ? -8.013 22.787 -11.910 0.40 54.79 ? 411 OEX a O2 1 ? ? +51510 HETATM O O2 B OEX CD 41 . ? -7.891 22.640 -11.648 0.60 53.93 ? 411 OEX a O2 1 ? ? +51511 HETATM MN MN2 A OEX CD 41 . ? -7.181 24.576 -11.797 0.40 54.83 ? 411 OEX a MN2 1 ? ? +51512 HETATM MN MN2 B OEX CD 41 . ? -7.140 24.446 -11.870 0.60 53.92 ? 411 OEX a MN2 1 ? ? +51513 HETATM O O3 A OEX CD 41 . ? -5.953 23.547 -12.641 0.40 54.32 ? 411 OEX a O3 1 ? ? +51514 HETATM O O3 B OEX CD 41 . ? -5.939 23.359 -12.625 0.60 53.52 ? 411 OEX a O3 1 ? ? +51515 HETATM MN MN3 A OEX CD 41 . ? -6.708 21.946 -13.111 0.40 54.33 ? 411 OEX a MN3 1 ? ? +51516 HETATM MN MN3 B OEX CD 41 . ? -6.737 21.742 -12.956 0.60 53.63 ? 411 OEX a MN3 1 ? ? +51517 HETATM O O4 A OEX CD 41 . ? -7.447 20.142 -13.327 0.40 54.85 ? 411 OEX a O4 1 ? ? +51518 HETATM O O4 B OEX CD 41 . ? -7.480 19.932 -13.010 0.60 54.39 ? 411 OEX a O4 1 ? ? +51519 HETATM MN MN4 A OEX CD 41 . ? -6.230 19.247 -12.067 0.40 55.74 ? 411 OEX a MN4 1 ? ? +51520 HETATM MN MN4 B OEX CD 41 . ? -6.045 19.130 -11.932 0.60 55.89 ? 411 OEX a MN4 1 ? ? +51521 HETATM O O5 A OEX CD 41 . ? -6.208 21.081 -11.503 0.40 54.84 ? 411 OEX a O5 1 ? ? +51522 HETATM O O5 B OEX CD 41 . ? -6.171 20.970 -11.330 0.60 54.37 ? 411 OEX a O5 1 ? ? +51523 HETATM C C1 . BCR CE 30 . ? 53.641 -13.491 -27.021 1.00 64.24 ? 619 BCR b C1 1 ? ? +51524 HETATM C C2 . BCR CE 30 . ? 54.619 -13.215 -28.167 1.00 64.93 ? 619 BCR b C2 1 ? ? +51525 HETATM C C3 . BCR CE 30 . ? 55.990 -12.958 -27.716 1.00 65.86 ? 619 BCR b C3 1 ? ? +51526 HETATM C C4 . BCR CE 30 . ? 56.509 -14.158 -26.933 1.00 66.23 ? 619 BCR b C4 1 ? ? +51527 HETATM C C5 . BCR CE 30 . ? 55.569 -14.638 -25.864 1.00 65.51 ? 619 BCR b C5 1 ? ? +51528 HETATM C C6 . BCR CE 30 . ? 54.243 -14.342 -25.913 1.00 64.40 ? 619 BCR b C6 1 ? ? +51529 HETATM C C7 . BCR CE 30 . ? 53.251 -14.722 -24.901 1.00 63.41 ? 619 BCR b C7 1 ? ? +51530 HETATM C C8 . BCR CE 30 . ? 53.289 -15.740 -23.999 1.00 63.10 ? 619 BCR b C8 1 ? ? +51531 HETATM C C9 . BCR CE 30 . ? 52.302 -16.057 -23.048 1.00 62.13 ? 619 BCR b C9 1 ? ? +51532 HETATM C C10 . BCR CE 30 . ? 52.276 -17.361 -22.545 1.00 61.76 ? 619 BCR b C10 1 ? ? +51533 HETATM C C11 . BCR CE 30 . ? 51.360 -17.964 -21.720 1.00 60.96 ? 619 BCR b C11 1 ? ? +51534 HETATM C C33 . BCR CE 30 . ? 56.287 -15.413 -24.789 1.00 65.48 ? 619 BCR b C33 1 ? ? +51535 HETATM C C31 . BCR CE 30 . ? 52.421 -14.202 -27.630 1.00 63.22 ? 619 BCR b C31 1 ? ? +51536 HETATM C C32 . BCR CE 30 . ? 53.180 -12.137 -26.456 1.00 64.36 ? 619 BCR b C32 1 ? ? +51537 HETATM C C34 . BCR CE 30 . ? 51.319 -15.090 -22.476 1.00 61.55 ? 619 BCR b C34 1 ? ? +51538 HETATM C C12 . BCR CE 30 . ? 51.395 -19.282 -21.328 1.00 60.74 ? 619 BCR b C12 1 ? ? +51539 HETATM C C13 . BCR CE 30 . ? 50.473 -20.005 -20.554 1.00 60.40 ? 619 BCR b C13 1 ? ? +51540 HETATM C C14 . BCR CE 30 . ? 50.647 -21.372 -20.292 1.00 60.29 ? 619 BCR b C14 1 ? ? +51541 HETATM C C15 . BCR CE 30 . ? 49.820 -22.226 -19.600 1.00 59.99 ? 619 BCR b C15 1 ? ? +51542 HETATM C C16 . BCR CE 30 . ? 49.892 -23.595 -19.429 1.00 59.60 ? 619 BCR b C16 1 ? ? +51543 HETATM C C17 . BCR CE 30 . ? 49.042 -24.449 -18.768 1.00 58.32 ? 619 BCR b C17 1 ? ? +51544 HETATM C C18 . BCR CE 30 . ? 49.129 -25.836 -18.604 1.00 57.99 ? 619 BCR b C18 1 ? ? +51545 HETATM C C19 . BCR CE 30 . ? 48.198 -26.537 -17.817 1.00 57.44 ? 619 BCR b C19 1 ? ? +51546 HETATM C C20 . BCR CE 30 . ? 48.155 -27.882 -17.522 1.00 57.20 ? 619 BCR b C20 1 ? ? +51547 HETATM C C21 . BCR CE 30 . ? 47.207 -28.517 -16.784 1.00 56.57 ? 619 BCR b C21 1 ? ? +51548 HETATM C C22 . BCR CE 30 . ? 47.054 -29.879 -16.479 1.00 56.58 ? 619 BCR b C22 1 ? ? +51549 HETATM C C23 . BCR CE 30 . ? 45.803 -30.284 -15.979 1.00 56.09 ? 619 BCR b C23 1 ? ? +51550 HETATM C C24 . BCR CE 30 . ? 45.513 -31.446 -15.368 1.00 56.14 ? 619 BCR b C24 1 ? ? +51551 HETATM C C25 . BCR CE 30 . ? 44.221 -31.941 -14.964 1.00 55.70 ? 619 BCR b C25 1 ? ? +51552 HETATM C C26 . BCR CE 30 . ? 43.062 -31.680 -15.614 1.00 55.14 ? 619 BCR b C26 1 ? ? +51553 HETATM C C27 . BCR CE 30 . ? 41.736 -32.110 -15.045 1.00 54.48 ? 619 BCR b C27 1 ? ? +51554 HETATM C C28 . BCR CE 30 . ? 41.768 -32.342 -13.542 1.00 54.84 ? 619 BCR b C28 1 ? ? +51555 HETATM C C29 . BCR CE 30 . ? 42.917 -33.204 -13.165 1.00 55.66 ? 619 BCR b C29 1 ? ? +51556 HETATM C C30 . BCR CE 30 . ? 44.281 -32.679 -13.637 1.00 56.19 ? 619 BCR b C30 1 ? ? +51557 HETATM C C35 . BCR CE 30 . ? 49.266 -19.309 -20.020 1.00 59.57 ? 619 BCR b C35 1 ? ? +51558 HETATM C C36 . BCR CE 30 . ? 50.204 -26.600 -19.301 1.00 58.29 ? 619 BCR b C36 1 ? ? +51559 HETATM C C37 . BCR CE 30 . ? 48.194 -30.808 -16.764 1.00 56.74 ? 619 BCR b C37 1 ? ? +51560 HETATM C C38 . BCR CE 30 . ? 42.924 -30.974 -16.937 1.00 54.80 ? 619 BCR b C38 1 ? ? +51561 HETATM C C39 . BCR CE 30 . ? 45.237 -33.883 -13.739 1.00 56.79 ? 619 BCR b C39 1 ? ? +51562 HETATM C C40 . BCR CE 30 . ? 44.834 -31.726 -12.564 1.00 56.64 ? 619 BCR b C40 1 ? ? +51563 HETATM C C1 . BCR CF 30 . ? -19.348 2.729 21.298 1.00 69.09 ? 516 BCR c C1 1 ? ? +51564 HETATM C C2 . BCR CF 30 . ? -19.228 1.220 21.526 1.00 69.13 ? 516 BCR c C2 1 ? ? +51565 HETATM C C3 . BCR CF 30 . ? -20.352 0.446 20.943 1.00 69.53 ? 516 BCR c C3 1 ? ? +51566 HETATM C C4 . BCR CF 30 . ? -20.449 0.692 19.442 1.00 69.04 ? 516 BCR c C4 1 ? ? +51567 HETATM C C5 . BCR CF 30 . ? -20.377 2.145 19.069 1.00 68.93 ? 516 BCR c C5 1 ? ? +51568 HETATM C C6 . BCR CF 30 . ? -19.945 3.077 19.947 1.00 68.65 ? 516 BCR c C6 1 ? ? +51569 HETATM C C7 . BCR CF 30 . ? -19.938 4.495 19.672 1.00 68.02 ? 516 BCR c C7 1 ? ? +51570 HETATM C C8 . BCR CF 30 . ? -20.855 5.215 18.980 1.00 67.46 ? 516 BCR c C8 1 ? ? +51571 HETATM C C9 . BCR CF 30 . ? -20.770 6.570 18.686 1.00 66.66 ? 516 BCR c C9 1 ? ? +51572 HETATM C C10 . BCR CF 30 . ? -21.906 7.286 18.256 1.00 66.53 ? 516 BCR c C10 1 ? ? +51573 HETATM C C11 . BCR CF 30 . ? -22.020 8.601 17.862 1.00 66.11 ? 516 BCR c C11 1 ? ? +51574 HETATM C C33 . BCR CF 30 . ? -20.827 2.409 17.657 1.00 69.07 ? 516 BCR c C33 1 ? ? +51575 HETATM C C31 . BCR CF 30 . ? -17.951 3.348 21.455 1.00 68.60 ? 516 BCR c C31 1 ? ? +51576 HETATM C C32 . BCR CF 30 . ? -20.252 3.317 22.393 1.00 70.36 ? 516 BCR c C32 1 ? ? +51577 HETATM C C34 . BCR CF 30 . ? -19.480 7.291 18.782 1.00 65.83 ? 516 BCR c C34 1 ? ? +51578 HETATM C C12 . BCR CF 30 . ? -23.187 9.263 17.563 1.00 66.16 ? 516 BCR c C12 1 ? ? +51579 HETATM C C13 . BCR CF 30 . ? -23.369 10.586 17.142 1.00 65.80 ? 516 BCR c C13 1 ? ? +51580 HETATM C C14 . BCR CF 30 . ? -24.641 11.146 17.028 1.00 65.95 ? 516 BCR c C14 1 ? ? +51581 HETATM C C15 . BCR CF 30 . ? -24.997 12.416 16.660 1.00 65.84 ? 516 BCR c C15 1 ? ? +51582 HETATM C C16 . BCR CF 30 . ? -26.232 13.012 16.571 1.00 66.21 ? 516 BCR c C16 1 ? ? +51583 HETATM C C17 . BCR CF 30 . ? -26.502 14.285 16.155 1.00 66.13 ? 516 BCR c C17 1 ? ? +51584 HETATM C C18 . BCR CF 30 . ? -27.722 14.951 16.011 1.00 66.64 ? 516 BCR c C18 1 ? ? +51585 HETATM C C19 . BCR CF 30 . ? -27.729 16.283 15.567 1.00 66.50 ? 516 BCR c C19 1 ? ? +51586 HETATM C C20 . BCR CF 30 . ? -28.773 17.136 15.327 1.00 66.87 ? 516 BCR c C20 1 ? ? +51587 HETATM C C21 . BCR CF 30 . ? -28.629 18.415 14.837 1.00 66.68 ? 516 BCR c C21 1 ? ? +51588 HETATM C C22 . BCR CF 30 . ? -29.605 19.276 14.323 1.00 67.00 ? 516 BCR c C22 1 ? ? +51589 HETATM C C23 . BCR CF 30 . ? -29.211 20.512 13.801 1.00 66.66 ? 516 BCR c C23 1 ? ? +51590 HETATM C C24 . BCR CF 30 . ? -29.879 21.223 12.862 1.00 66.72 ? 516 BCR c C24 1 ? ? +51591 HETATM C C25 . BCR CF 30 . ? -29.574 22.538 12.349 1.00 66.53 ? 516 BCR c C25 1 ? ? +51592 HETATM C C26 . BCR CF 30 . ? -29.071 23.538 13.106 1.00 66.63 ? 516 BCR c C26 1 ? ? +51593 HETATM C C27 . BCR CF 30 . ? -28.670 24.851 12.498 1.00 66.60 ? 516 BCR c C27 1 ? ? +51594 HETATM C C28 . BCR CF 30 . ? -28.377 24.770 11.007 1.00 66.06 ? 516 BCR c C28 1 ? ? +51595 HETATM C C29 . BCR CF 30 . ? -29.462 24.048 10.298 1.00 66.25 ? 516 BCR c C29 1 ? ? +51596 HETATM C C30 . BCR CF 30 . ? -29.727 22.643 10.842 1.00 66.17 ? 516 BCR c C30 1 ? ? +51597 HETATM C C35 . BCR CF 30 . ? -22.175 11.412 16.799 1.00 65.36 ? 516 BCR c C35 1 ? ? +51598 HETATM C C36 . BCR CF 30 . ? -29.001 14.259 16.352 1.00 67.20 ? 516 BCR c C36 1 ? ? +51599 HETATM C C37 . BCR CF 30 . ? -31.029 18.827 14.414 1.00 67.66 ? 516 BCR c C37 1 ? ? +51600 HETATM C C38 . BCR CF 30 . ? -28.871 23.498 14.597 1.00 66.87 ? 516 BCR c C38 1 ? ? +51601 HETATM C C39 . BCR CF 30 . ? -28.733 21.686 10.170 1.00 65.23 ? 516 BCR c C39 1 ? ? +51602 HETATM C C40 . BCR CF 30 . ? -31.153 22.245 10.415 1.00 66.73 ? 516 BCR c C40 1 ? ? +51603 HETATM O O1 A LHG CG 39 . ? 22.354 -9.926 7.697 0.40 63.47 ? 414 LHG d O1 1 ? ? +51604 HETATM O O1 B LHG CG 39 . ? 22.307 -10.290 8.077 0.60 65.32 ? 414 LHG d O1 1 ? ? +51605 HETATM C C1 A LHG CG 39 . ? 23.761 -10.139 7.746 0.40 63.63 ? 414 LHG d C1 1 ? ? +51606 HETATM C C1 B LHG CG 39 . ? 23.714 -10.167 7.902 0.60 65.78 ? 414 LHG d C1 1 ? ? +51607 HETATM C C2 A LHG CG 39 . ? 24.225 -10.317 9.173 0.40 64.10 ? 414 LHG d C2 1 ? ? +51608 HETATM C C2 B LHG CG 39 . ? 24.415 -10.231 9.239 0.60 66.51 ? 414 LHG d C2 1 ? ? +51609 HETATM O O2 A LHG CG 39 . ? 23.527 -9.382 9.997 0.40 65.15 ? 414 LHG d O2 1 ? ? +51610 HETATM O O2 B LHG CG 39 . ? 24.128 -9.038 9.965 0.60 68.77 ? 414 LHG d O2 1 ? ? +51611 HETATM C C3 A LHG CG 39 . ? 25.722 -10.165 9.352 0.40 63.90 ? 414 LHG d C3 1 ? ? +51612 HETATM C C3 B LHG CG 39 . ? 25.915 -10.407 9.158 0.60 65.93 ? 414 LHG d C3 1 ? ? +51613 HETATM O O3 A LHG CG 39 . ? 26.322 -9.455 8.230 0.40 62.76 ? 414 LHG d O3 1 ? ? +51614 HETATM O O3 B LHG CG 39 . ? 26.488 -9.584 8.103 0.60 64.34 ? 414 LHG d O3 1 ? ? +51615 HETATM P P A LHG CG 39 . ? 27.823 -8.888 8.364 0.40 62.22 ? 414 LHG d P 1 ? ? +51616 HETATM P P B LHG CG 39 . ? 27.983 -9.009 8.265 0.60 63.10 ? 414 LHG d P 1 ? ? +51617 HETATM O O4 A LHG CG 39 . ? 27.959 -8.204 9.695 0.40 62.75 ? 414 LHG d O4 1 ? ? +51618 HETATM O O4 B LHG CG 39 . ? 28.126 -8.379 9.619 0.60 63.51 ? 414 LHG d O4 1 ? ? +51619 HETATM O O5 A LHG CG 39 . ? 28.821 -9.940 7.969 0.40 61.99 ? 414 LHG d O5 1 ? ? +51620 HETATM O O5 B LHG CG 39 . ? 29.003 -10.017 7.812 0.60 62.87 ? 414 LHG d O5 1 ? ? +51621 HETATM O O6 A LHG CG 39 . ? 27.830 -7.736 7.246 0.40 61.92 ? 414 LHG d O6 1 ? ? +51622 HETATM O O6 B LHG CG 39 . ? 27.946 -7.806 7.205 0.60 63.42 ? 414 LHG d O6 1 ? ? +51623 HETATM C C4 A LHG CG 39 . ? 27.766 -8.116 5.847 0.40 61.47 ? 414 LHG d C4 1 ? ? +51624 HETATM C C4 B LHG CG 39 . ? 27.841 -8.118 5.790 0.60 63.62 ? 414 LHG d C4 1 ? ? +51625 HETATM C C5 A LHG CG 39 . ? 26.991 -7.108 5.031 0.40 61.15 ? 414 LHG d C5 1 ? ? +51626 HETATM C C5 B LHG CG 39 . ? 27.004 -7.100 5.053 0.60 63.80 ? 414 LHG d C5 1 ? ? +51627 HETATM C C6 A LHG CG 39 . ? 27.512 -5.693 5.142 0.40 61.48 ? 414 LHG d C6 1 ? ? +51628 HETATM C C6 B LHG CG 39 . ? 27.463 -5.672 5.235 0.60 64.51 ? 414 LHG d C6 1 ? ? +51629 HETATM O O7 A LHG CG 39 . ? 27.085 -7.559 3.656 0.40 61.03 ? 414 LHG d O7 1 ? ? +51630 HETATM O O7 B LHG CG 39 . ? 27.086 -7.467 3.651 0.60 64.11 ? 414 LHG d O7 1 ? ? +51631 HETATM C C7 A LHG CG 39 . ? 25.990 -8.094 3.094 0.40 61.54 ? 414 LHG d C7 1 ? ? +51632 HETATM C C7 B LHG CG 39 . ? 26.039 -8.100 3.094 0.60 65.74 ? 414 LHG d C7 1 ? ? +51633 HETATM O O9 A LHG CG 39 . ? 24.909 -8.099 3.621 0.40 61.06 ? 414 LHG d O9 1 ? ? +51634 HETATM O O9 B LHG CG 39 . ? 24.987 -8.261 3.652 0.60 64.70 ? 414 LHG d O9 1 ? ? +51635 HETATM C C8 A LHG CG 39 . ? 26.281 -8.726 1.768 0.40 61.71 ? 414 LHG d C8 1 ? ? +51636 HETATM C C8 B LHG CG 39 . ? 26.348 -8.633 1.727 0.60 66.62 ? 414 LHG d C8 1 ? ? +51637 HETATM C C9 A LHG CG 39 . ? 25.062 -8.940 0.946 0.40 61.52 ? 414 LHG d C9 1 ? ? +51638 HETATM C C9 B LHG CG 39 . ? 25.135 -8.857 0.893 0.60 66.85 ? 414 LHG d C9 1 ? ? +51639 HETATM C C10 A LHG CG 39 . ? 24.484 -7.635 0.425 0.40 61.86 ? 414 LHG d C10 1 ? ? +51640 HETATM C C10 B LHG CG 39 . ? 24.527 -7.555 0.401 0.60 67.82 ? 414 LHG d C10 1 ? ? +51641 HETATM O O8 A LHG CG 39 . ? 26.725 -4.818 4.303 0.40 61.10 ? 414 LHG d O8 1 ? ? +51642 HETATM O O8 B LHG CG 39 . ? 26.662 -4.805 4.400 0.60 64.54 ? 414 LHG d O8 1 ? ? +51643 HETATM C C23 A LHG CG 39 . ? 26.535 -3.593 4.786 0.40 61.82 ? 414 LHG d C23 1 ? ? +51644 HETATM C C23 B LHG CG 39 . ? 26.690 -3.511 4.706 0.60 66.20 ? 414 LHG d C23 1 ? ? +51645 HETATM O O10 A LHG CG 39 . ? 27.012 -3.225 5.824 0.40 62.79 ? 414 LHG d O10 1 ? ? +51646 HETATM O O10 B LHG CG 39 . ? 27.406 -3.058 5.557 0.60 67.82 ? 414 LHG d O10 1 ? ? +51647 HETATM C C24 A LHG CG 39 . ? 25.632 -2.749 3.919 0.40 61.64 ? 414 LHG d C24 1 ? ? +51648 HETATM C C24 B LHG CG 39 . ? 25.700 -2.696 3.909 0.60 66.48 ? 414 LHG d C24 1 ? ? +51649 HETATM C C11 A LHG CG 39 . ? 23.329 -7.826 -0.516 0.40 62.32 ? 414 LHG d C11 1 ? ? +51650 HETATM C C11 B LHG CG 39 . ? 23.397 -7.755 -0.566 0.60 69.43 ? 414 LHG d C11 1 ? ? +51651 HETATM C C12 A LHG CG 39 . ? 23.044 -6.636 -1.389 0.40 62.96 ? 414 LHG d C12 1 ? ? +51652 HETATM C C12 B LHG CG 39 . ? 23.088 -6.549 -1.407 0.60 71.22 ? 414 LHG d C12 1 ? ? +51653 HETATM C C13 A LHG CG 39 . ? 21.983 -6.880 -2.423 0.40 63.24 ? 414 LHG d C13 1 ? ? +51654 HETATM C C13 B LHG CG 39 . ? 22.025 -6.782 -2.440 0.60 72.53 ? 414 LHG d C13 1 ? ? +51655 HETATM C C14 A LHG CG 39 . ? 22.446 -7.702 -3.597 0.40 63.99 ? 414 LHG d C14 1 ? ? +51656 HETATM C C14 B LHG CG 39 . ? 22.478 -7.618 -3.608 0.60 74.71 ? 414 LHG d C14 1 ? ? +51657 HETATM C C15 A LHG CG 39 . ? 21.364 -7.969 -4.615 0.40 64.51 ? 414 LHG d C15 1 ? ? +51658 HETATM C C15 B LHG CG 39 . ? 21.415 -7.816 -4.662 0.60 76.66 ? 414 LHG d C15 1 ? ? +51659 HETATM C C16 A LHG CG 39 . ? 21.863 -8.216 -6.019 0.40 64.73 ? 414 LHG d C16 1 ? ? +51660 HETATM C C16 B LHG CG 39 . ? 21.944 -8.094 -6.048 0.60 77.52 ? 414 LHG d C16 1 ? ? +51661 HETATM C C17 A LHG CG 39 . ? 20.767 -8.258 -7.050 0.40 64.61 ? 414 LHG d C17 1 ? ? +51662 HETATM C C17 B LHG CG 39 . ? 20.867 -8.181 -7.096 0.60 77.59 ? 414 LHG d C17 1 ? ? +51663 HETATM C C18 A LHG CG 39 . ? 21.257 -8.269 -8.470 0.40 65.04 ? 414 LHG d C18 1 ? ? +51664 HETATM C C18 B LHG CG 39 . ? 21.384 -8.270 -8.505 0.60 78.81 ? 414 LHG d C18 1 ? ? +51665 HETATM C C19 A LHG CG 39 . ? 20.837 -9.483 -9.256 0.40 65.40 ? 414 LHG d C19 1 ? ? +51666 HETATM C C19 B LHG CG 39 . ? 20.851 -9.443 -9.289 0.60 79.84 ? 414 LHG d C19 1 ? ? +51667 HETATM C C20 A LHG CG 39 . ? 20.988 -9.329 -10.753 0.40 65.87 ? 414 LHG d C20 1 ? ? +51668 HETATM C C20 B LHG CG 39 . ? 21.046 -9.323 -10.787 0.60 81.16 ? 414 LHG d C20 1 ? ? +51669 HETATM C C21 A LHG CG 39 . ? 21.468 -10.568 -11.472 0.40 65.96 ? 414 LHG d C21 1 ? ? +51670 HETATM C C21 B LHG CG 39 . ? 21.427 -10.609 -11.486 0.60 80.93 ? 414 LHG d C21 1 ? ? +51671 HETATM C C22 A LHG CG 39 . ? 20.996 -10.654 -12.904 0.40 65.96 ? 414 LHG d C22 1 ? ? +51672 HETATM C C22 B LHG CG 39 . ? 21.042 -10.659 -12.946 0.60 80.86 ? 414 LHG d C22 1 ? ? +51673 HETATM C C25 A LHG CG 39 . ? 25.900 -2.871 2.450 0.40 61.64 ? 414 LHG d C25 1 ? ? +51674 HETATM C C25 B LHG CG 39 . ? 25.800 -2.905 2.425 0.60 67.08 ? 414 LHG d C25 1 ? ? +51675 HETATM C C26 A LHG CG 39 . ? 25.343 -1.705 1.641 0.40 61.56 ? 414 LHG d C26 1 ? ? +51676 HETATM C C26 B LHG CG 39 . ? 25.236 -1.748 1.599 0.60 67.33 ? 414 LHG d C26 1 ? ? +51677 HETATM C C27 A LHG CG 39 . ? 26.286 -1.198 0.573 0.40 61.70 ? 414 LHG d C27 1 ? ? +51678 HETATM C C27 B LHG CG 39 . ? 26.190 -1.226 0.542 0.60 67.89 ? 414 LHG d C27 1 ? ? +51679 HETATM C C28 A LHG CG 39 . ? 25.655 -0.966 -0.784 0.40 61.05 ? 414 LHG d C28 1 ? ? +51680 HETATM C C28 B LHG CG 39 . ? 25.580 -0.978 -0.824 0.60 67.26 ? 414 LHG d C28 1 ? ? +51681 HETATM C C29 A LHG CG 39 . ? 26.660 -0.916 -1.922 0.40 60.85 ? 414 LHG d C29 1 ? ? +51682 HETATM C C29 B LHG CG 39 . ? 26.603 -0.980 -1.956 0.60 67.12 ? 414 LHG d C29 1 ? ? +51683 HETATM C C30 A LHG CG 39 . ? 26.100 -1.254 -3.292 0.40 60.25 ? 414 LHG d C30 1 ? ? +51684 HETATM C C30 B LHG CG 39 . ? 26.046 -1.244 -3.349 0.60 66.57 ? 414 LHG d C30 1 ? ? +51685 HETATM C C31 A LHG CG 39 . ? 25.475 -2.631 -3.408 0.40 59.86 ? 414 LHG d C31 1 ? ? +51686 HETATM C C31 B LHG CG 39 . ? 25.455 -2.628 -3.571 0.60 66.15 ? 414 LHG d C31 1 ? ? +51687 HETATM C C32 A LHG CG 39 . ? 26.366 -3.677 -4.047 0.40 59.69 ? 414 LHG d C32 1 ? ? +51688 HETATM C C32 B LHG CG 39 . ? 26.457 -3.693 -3.974 0.60 66.15 ? 414 LHG d C32 1 ? ? +51689 HETATM C C33 A LHG CG 39 . ? 25.960 -5.107 -3.749 0.40 59.29 ? 414 LHG d C33 1 ? ? +51690 HETATM C C33 B LHG CG 39 . ? 25.954 -5.114 -3.798 0.60 65.49 ? 414 LHG d C33 1 ? ? +51691 HETATM C C34 A LHG CG 39 . ? 27.087 -6.117 -3.837 0.40 59.02 ? 414 LHG d C34 1 ? ? +51692 HETATM C C34 B LHG CG 39 . ? 27.025 -6.189 -3.869 0.60 64.75 ? 414 LHG d C34 1 ? ? +51693 HETATM C C35 A LHG CG 39 . ? 27.500 -6.708 -2.509 0.40 59.04 ? 414 LHG d C35 1 ? ? +51694 HETATM C C35 B LHG CG 39 . ? 27.476 -6.732 -2.527 0.60 64.34 ? 414 LHG d C35 1 ? ? +51695 HETATM C C36 A LHG CG 39 . ? 27.802 -8.189 -2.547 0.40 58.75 ? 414 LHG d C36 1 ? ? +51696 HETATM C C36 B LHG CG 39 . ? 27.798 -8.211 -2.523 0.60 63.77 ? 414 LHG d C36 1 ? ? +51697 HETATM C C37 A LHG CG 39 . ? 28.859 -8.627 -1.562 0.40 59.12 ? 414 LHG d C37 1 ? ? +51698 HETATM C C37 B LHG CG 39 . ? 28.884 -8.607 -1.550 0.60 64.00 ? 414 LHG d C37 1 ? ? +51699 HETATM C C38 A LHG CG 39 . ? 29.022 -10.123 -1.450 0.40 58.94 ? 414 LHG d C38 1 ? ? +51700 HETATM C C38 B LHG CG 39 . ? 29.088 -10.096 -1.421 0.60 63.60 ? 414 LHG d C38 1 ? ? +51701 HETATM C C1B . LMT CH 37 . ? 64.882 -49.910 -27.666 1.00 124.97 ? 420 LMT A C1B 1 ? ? +51702 HETATM C C2B . LMT CH 37 . ? 64.756 -49.054 -26.416 1.00 123.30 ? 420 LMT A C2B 1 ? ? +51703 HETATM C C3B . LMT CH 37 . ? 63.988 -49.797 -25.340 1.00 121.46 ? 420 LMT A C3B 1 ? ? +51704 HETATM C C4B . LMT CH 37 . ? 63.582 -51.214 -25.738 1.00 120.16 ? 420 LMT A C4B 1 ? ? +51705 HETATM C C5B . LMT CH 37 . ? 64.696 -52.000 -26.451 1.00 120.64 ? 420 LMT A C5B 1 ? ? +51706 HETATM C C6B . LMT CH 37 . ? 64.148 -53.119 -27.315 1.00 116.70 ? 420 LMT A C6B 1 ? ? +51707 HETATM O O1B . LMT CH 37 . ? 65.630 -49.185 -28.617 1.00 127.21 ? 420 LMT A O1B 1 ? ? +51708 HETATM O O2B . LMT CH 37 . ? 66.040 -48.677 -25.924 1.00 122.41 ? 420 LMT A O2B 1 ? ? +51709 HETATM O O3B . LMT CH 37 . ? 62.813 -49.043 -25.062 1.00 121.59 ? 420 LMT A O3B 1 ? ? +51710 HETATM O O4' . LMT CH 37 . ? 63.219 -51.932 -24.560 1.00 120.41 ? 420 LMT A O4' 1 ? ? +51711 HETATM O O5B . LMT CH 37 . ? 65.493 -51.150 -27.327 1.00 126.46 ? 420 LMT A O5B 1 ? ? +51712 HETATM O O6B . LMT CH 37 . ? 63.929 -54.313 -26.566 1.00 114.88 ? 420 LMT A O6B 1 ? ? +51713 HETATM C C1' . LMT CH 37 . ? 66.783 -49.906 -32.431 1.00 143.54 ? 420 LMT A C1' 1 ? ? +51714 HETATM C C2' . LMT CH 37 . ? 66.623 -51.173 -31.598 1.00 141.39 ? 420 LMT A C2' 1 ? ? +51715 HETATM C C3' . LMT CH 37 . ? 65.856 -50.890 -30.326 1.00 136.94 ? 420 LMT A C3' 1 ? ? +51716 HETATM C C4' . LMT CH 37 . ? 66.576 -49.857 -29.460 1.00 134.43 ? 420 LMT A C4' 1 ? ? +51717 HETATM C C5' . LMT CH 37 . ? 67.235 -48.767 -30.304 1.00 136.05 ? 420 LMT A C5' 1 ? ? +51718 HETATM C C6' . LMT CH 37 . ? 68.740 -48.944 -30.458 1.00 136.15 ? 420 LMT A C6' 1 ? ? +51719 HETATM O O1' . LMT CH 37 . ? 68.068 -49.896 -32.999 1.00 153.25 ? 420 LMT A O1' 1 ? ? +51720 HETATM O O2' . LMT CH 37 . ? 65.940 -52.180 -32.342 1.00 140.42 ? 420 LMT A O2' 1 ? ? +51721 HETATM O O3' . LMT CH 37 . ? 65.709 -52.133 -29.644 1.00 135.12 ? 420 LMT A O3' 1 ? ? +51722 HETATM O O5' . LMT CH 37 . ? 66.623 -48.735 -31.637 1.00 137.57 ? 420 LMT A O5' 1 ? ? +51723 HETATM O O6' . LMT CH 37 . ? 69.461 -48.531 -29.292 1.00 130.26 ? 420 LMT A O6' 1 ? ? +51724 HETATM C C1 . LMT CH 37 . ? 68.175 -50.548 -34.278 1.00 152.18 ? 420 LMT A C1 1 ? ? +51725 HETATM C C2 . LMT CH 37 . ? 67.943 -49.544 -35.375 1.00 147.84 ? 420 LMT A C2 1 ? ? +51726 HETATM C C3 . LMT CH 37 . ? 66.905 -49.983 -36.389 1.00 142.06 ? 420 LMT A C3 1 ? ? +51727 HETATM C C4 . LMT CH 37 . ? 67.493 -50.359 -37.731 1.00 138.80 ? 420 LMT A C4 1 ? ? +51728 HETATM C C5 . LMT CH 37 . ? 66.461 -50.584 -38.819 1.00 135.55 ? 420 LMT A C5 1 ? ? +51729 HETATM C C6 . LMT CH 37 . ? 66.417 -49.508 -39.887 1.00 131.30 ? 420 LMT A C6 1 ? ? +51730 HETATM C C7 . LMT CH 37 . ? 65.035 -48.990 -40.205 1.00 126.03 ? 420 LMT A C7 1 ? ? +51731 HETATM C C8 . LMT CH 37 . ? 64.972 -47.505 -40.471 1.00 123.93 ? 420 LMT A C8 1 ? ? +51732 HETATM C C9 . LMT CH 37 . ? 63.569 -46.966 -40.567 1.00 123.10 ? 420 LMT A C9 1 ? ? +51733 HETATM C C10 . LMT CH 37 . ? 63.422 -45.706 -41.385 1.00 123.67 ? 420 LMT A C10 1 ? ? +51734 HETATM C C11 . LMT CH 37 . ? 61.972 -45.286 -41.554 1.00 125.12 ? 420 LMT A C11 1 ? ? +51735 HETATM C C12 . LMT CH 37 . ? 61.750 -44.028 -42.369 1.00 124.42 ? 420 LMT A C12 1 ? ? +51736 HETATM C C1 . LMG CI 34 . ? 48.643 -73.723 -84.950 1.00 134.61 ? 521 LMG C C1 1 ? ? +51737 HETATM O O1 . LMG CI 34 . ? 49.810 -72.986 -84.655 1.00 131.55 ? 521 LMG C O1 1 ? ? +51738 HETATM C C2 . LMG CI 34 . ? 47.521 -72.797 -85.399 1.00 132.96 ? 521 LMG C C2 1 ? ? +51739 HETATM O O2 . LMG CI 34 . ? 47.393 -71.662 -84.546 1.00 129.93 ? 521 LMG C O2 1 ? ? +51740 HETATM C C3 . LMG CI 34 . ? 46.244 -73.615 -85.458 1.00 133.16 ? 521 LMG C C3 1 ? ? +51741 HETATM O O3 . LMG CI 34 . ? 45.151 -72.777 -85.834 1.00 130.28 ? 521 LMG C O3 1 ? ? +51742 HETATM C C4 . LMG CI 34 . ? 46.391 -74.788 -86.429 1.00 135.28 ? 521 LMG C C4 1 ? ? +51743 HETATM O O4 . LMG CI 34 . ? 46.251 -74.326 -87.771 1.00 138.09 ? 521 LMG C O4 1 ? ? +51744 HETATM C C5 . LMG CI 34 . ? 47.746 -75.536 -86.282 1.00 136.15 ? 521 LMG C C5 1 ? ? +51745 HETATM O O5 . LMG CI 34 . ? 47.140 -77.320 -87.825 1.00 133.20 ? 521 LMG C O5 1 ? ? +51746 HETATM C C6 . LMG CI 34 . ? 48.110 -76.313 -87.533 1.00 135.49 ? 521 LMG C C6 1 ? ? +51747 HETATM O O6 . LMG CI 34 . ? 48.877 -74.641 -86.006 1.00 137.99 ? 521 LMG C O6 1 ? ? +51748 HETATM C C7 . LMG CI 34 . ? 50.857 -73.715 -83.972 1.00 126.93 ? 521 LMG C C7 1 ? ? +51749 HETATM C C8 . LMG CI 34 . ? 50.908 -73.475 -82.448 1.00 124.16 ? 521 LMG C C8 1 ? ? +51750 HETATM C C9 . LMG CI 34 . ? 51.339 -74.717 -81.690 1.00 123.61 ? 521 LMG C C9 1 ? ? +51751 HETATM O O7 . LMG CI 34 . ? 51.859 -72.454 -82.007 1.00 121.80 ? 521 LMG C O7 1 ? ? +51752 HETATM C C10 . LMG CI 34 . ? 51.403 -71.281 -81.508 1.00 116.80 ? 521 LMG C C10 1 ? ? +51753 HETATM O O9 . LMG CI 34 . ? 50.263 -70.896 -81.603 1.00 116.24 ? 521 LMG C O9 1 ? ? +51754 HETATM C C11 . LMG CI 34 . ? 52.454 -70.513 -80.741 1.00 112.01 ? 521 LMG C C11 1 ? ? +51755 HETATM C C12 . LMG CI 34 . ? 51.896 -69.693 -79.598 1.00 105.10 ? 521 LMG C C12 1 ? ? +51756 HETATM C C13 . LMG CI 34 . ? 51.049 -70.504 -78.618 1.00 99.60 ? 521 LMG C C13 1 ? ? +51757 HETATM C C14 . LMG CI 34 . ? 50.775 -69.805 -77.301 1.00 95.79 ? 521 LMG C C14 1 ? ? +51758 HETATM C C15 . LMG CI 34 . ? 51.656 -70.229 -76.136 1.00 93.07 ? 521 LMG C C15 1 ? ? +51759 HETATM C C16 . LMG CI 34 . ? 50.905 -70.368 -74.830 1.00 90.38 ? 521 LMG C C16 1 ? ? +51760 HETATM C C17 . LMG CI 34 . ? 51.761 -70.624 -73.607 1.00 88.67 ? 521 LMG C C17 1 ? ? +51761 HETATM C C18 . LMG CI 34 . ? 50.966 -70.698 -72.317 1.00 86.72 ? 521 LMG C C18 1 ? ? +51762 HETATM C C19 . LMG CI 34 . ? 51.774 -71.056 -71.085 1.00 86.14 ? 521 LMG C C19 1 ? ? +51763 HETATM C C20 . LMG CI 34 . ? 51.364 -72.351 -70.393 1.00 85.34 ? 521 LMG C C20 1 ? ? +51764 HETATM C C21 . LMG CI 34 . ? 50.686 -72.181 -69.038 1.00 83.73 ? 521 LMG C C21 1 ? ? +51765 HETATM C C22 . LMG CI 34 . ? 51.328 -72.964 -67.910 1.00 83.08 ? 521 LMG C C22 1 ? ? +51766 HETATM C C23 . LMG CI 34 . ? 50.385 -73.386 -66.803 1.00 82.23 ? 521 LMG C C23 1 ? ? +51767 HETATM C C24 . LMG CI 34 . ? 51.078 -73.999 -65.595 1.00 82.62 ? 521 LMG C C24 1 ? ? +51768 HETATM C C25 . LMG CI 34 . ? 50.165 -74.335 -64.429 1.00 81.16 ? 521 LMG C C25 1 ? ? +51769 HETATM O O8 . LMG CI 34 . ? 51.394 -74.451 -80.265 1.00 123.59 ? 521 LMG C O8 1 ? ? +51770 HETATM C C28 . LMG CI 34 . ? 52.024 -75.356 -79.508 1.00 121.70 ? 521 LMG C C28 1 ? ? +51771 HETATM O O10 . LMG CI 34 . ? 52.542 -76.342 -79.960 1.00 123.92 ? 521 LMG C O10 1 ? ? +51772 HETATM C C29 . LMG CI 34 . ? 52.013 -75.001 -78.034 1.00 119.65 ? 521 LMG C C29 1 ? ? +51773 HETATM C C30 . LMG CI 34 . ? 51.995 -76.205 -77.115 1.00 118.44 ? 521 LMG C C30 1 ? ? +51774 HETATM C C31 . LMG CI 34 . ? 52.662 -75.952 -75.764 1.00 117.00 ? 521 LMG C C31 1 ? ? +51775 HETATM C C32 . LMG CI 34 . ? 52.731 -77.167 -74.854 1.00 114.72 ? 521 LMG C C32 1 ? ? +51776 HETATM C C33 . LMG CI 34 . ? 53.283 -76.875 -73.476 1.00 112.75 ? 521 LMG C C33 1 ? ? +51777 HETATM C C34 . LMG CI 34 . ? 53.314 -78.062 -72.534 1.00 111.64 ? 521 LMG C C34 1 ? ? +51778 HETATM C C35 . LMG CI 34 . ? 54.067 -77.813 -71.243 1.00 110.97 ? 521 LMG C C35 1 ? ? +51779 HETATM C C36 . LMG CI 34 . ? 53.517 -76.676 -70.408 1.00 109.52 ? 521 LMG C C36 1 ? ? +51780 HETATM C C37 . LMG CI 34 . ? 54.483 -76.105 -69.395 1.00 109.91 ? 521 LMG C C37 1 ? ? +51781 HETATM C C38 . LMG CI 34 . ? 54.356 -76.705 -68.016 1.00 110.69 ? 521 LMG C C38 1 ? ? +51782 HETATM C C39 . LMG CI 34 . ? 54.951 -75.866 -66.913 1.00 110.83 ? 521 LMG C C39 1 ? ? +51783 HETATM C C40 . LMG CI 34 . ? 54.929 -76.522 -65.556 1.00 111.53 ? 521 LMG C C40 1 ? ? +51784 HETATM C C41 . LMG CI 34 . ? 55.873 -77.701 -65.393 1.00 113.57 ? 521 LMG C C41 1 ? ? +51785 HETATM C C42 . LMG CI 34 . ? 57.337 -77.332 -65.242 1.00 112.89 ? 521 LMG C C42 1 ? ? +51786 HETATM C C43 . LMG CI 34 . ? 58.295 -78.480 -65.469 1.00 112.14 ? 521 LMG C C43 1 ? ? +51787 HETATM C C2 A PL9 CJ 28 . ? 22.250 6.388 20.735 0.40 121.21 ? 412 PL9 a C2 1 ? ? +51788 HETATM C C2 B PL9 CJ 28 . ? 22.402 6.347 20.662 0.60 90.48 ? 412 PL9 a C2 1 ? ? +51789 HETATM C C3 A PL9 CJ 28 . ? 21.660 5.624 19.751 0.40 120.22 ? 412 PL9 a C3 1 ? ? +51790 HETATM C C3 B PL9 CJ 28 . ? 21.663 5.612 19.749 0.60 89.41 ? 412 PL9 a C3 1 ? ? +51791 HETATM C C4 A PL9 CJ 28 . ? 21.542 4.218 19.932 0.40 120.86 ? 412 PL9 a C4 1 ? ? +51792 HETATM C C4 B PL9 CJ 28 . ? 21.511 4.201 19.947 0.60 88.30 ? 412 PL9 a C4 1 ? ? +51793 HETATM C C5 A PL9 CJ 28 . ? 22.078 3.566 21.159 0.40 122.11 ? 412 PL9 a C5 1 ? ? +51794 HETATM C C5 B PL9 CJ 28 . ? 22.052 3.542 21.175 0.60 89.91 ? 412 PL9 a C5 1 ? ? +51795 HETATM C C6 A PL9 CJ 28 . ? 22.703 4.327 22.124 0.40 122.74 ? 412 PL9 a C6 1 ? ? +51796 HETATM C C6 B PL9 CJ 28 . ? 22.810 4.280 22.075 0.60 91.05 ? 412 PL9 a C6 1 ? ? +51797 HETATM C C1 A PL9 CJ 28 . ? 22.795 5.792 21.949 0.40 122.50 ? 412 PL9 a C1 1 ? ? +51798 HETATM C C1 B PL9 CJ 28 . ? 23.025 5.728 21.828 0.60 91.23 ? 412 PL9 a C1 1 ? ? +51799 HETATM C C7 A PL9 CJ 28 . ? 21.141 6.265 18.484 0.40 118.25 ? 412 PL9 a C7 1 ? ? +51800 HETATM C C7 B PL9 CJ 28 . ? 21.075 6.257 18.510 0.60 89.39 ? 412 PL9 a C7 1 ? ? +51801 HETATM C C8 A PL9 CJ 28 . ? 20.687 7.685 18.673 0.40 118.24 ? 412 PL9 a C8 1 ? ? +51802 HETATM C C8 B PL9 CJ 28 . ? 20.668 7.696 18.681 0.60 91.91 ? 412 PL9 a C8 1 ? ? +51803 HETATM C C9 A PL9 CJ 28 . ? 20.378 8.560 17.733 0.40 117.27 ? 412 PL9 a C9 1 ? ? +51804 HETATM C C9 B PL9 CJ 28 . ? 20.044 8.460 17.800 0.60 94.26 ? 412 PL9 a C9 1 ? ? +51805 HETATM C C10 A PL9 CJ 28 . ? 20.562 8.295 16.268 0.40 116.29 ? 412 PL9 a C10 1 ? ? +51806 HETATM C C10 B PL9 CJ 28 . ? 19.691 7.985 16.425 0.60 90.24 ? 412 PL9 a C10 1 ? ? +51807 HETATM C C11 A PL9 CJ 28 . ? 19.781 9.894 18.083 0.40 117.45 ? 412 PL9 a C11 1 ? ? +51808 HETATM C C11 B PL9 CJ 28 . ? 19.598 9.856 18.139 0.60 98.16 ? 412 PL9 a C11 1 ? ? +51809 HETATM C C12 A PL9 CJ 28 . ? 20.802 10.869 18.629 0.40 117.67 ? 412 PL9 a C12 1 ? ? +51810 HETATM C C12 B PL9 CJ 28 . ? 20.709 10.785 18.609 0.60 101.77 ? 412 PL9 a C12 1 ? ? +51811 HETATM C C13 A PL9 CJ 28 . ? 21.225 11.859 17.591 0.40 116.73 ? 412 PL9 a C13 1 ? ? +51812 HETATM C C13 B PL9 CJ 28 . ? 21.035 11.830 17.584 0.60 104.37 ? 412 PL9 a C13 1 ? ? +51813 HETATM C C14 A PL9 CJ 28 . ? 21.201 13.186 17.664 0.40 115.16 ? 412 PL9 a C14 1 ? ? +51814 HETATM C C14 B PL9 CJ 28 . ? 21.269 13.128 17.760 0.60 106.81 ? 412 PL9 a C14 1 ? ? +51815 HETATM C C15 A PL9 CJ 28 . ? 20.796 13.943 18.896 0.40 115.26 ? 412 PL9 a C15 1 ? ? +51816 HETATM C C15 B PL9 CJ 28 . ? 21.326 13.788 19.113 0.60 106.48 ? 412 PL9 a C15 1 ? ? +51817 HETATM C C16 A PL9 CJ 28 . ? 21.555 14.030 16.471 0.40 113.26 ? 412 PL9 a C16 1 ? ? +51818 HETATM C C16 B PL9 CJ 28 . ? 21.459 14.028 16.565 0.60 108.03 ? 412 PL9 a C16 1 ? ? +51819 HETATM C C17 A PL9 CJ 28 . ? 21.989 15.442 16.808 0.40 111.87 ? 412 PL9 a C17 1 ? ? +51820 HETATM C C17 B PL9 CJ 28 . ? 21.947 15.453 16.803 0.60 108.62 ? 412 PL9 a C17 1 ? ? +51821 HETATM C C18 A PL9 CJ 28 . ? 23.442 15.673 16.536 0.40 109.60 ? 412 PL9 a C18 1 ? ? +51822 HETATM C C18 B PL9 CJ 28 . ? 23.421 15.612 16.578 0.60 108.03 ? 412 PL9 a C18 1 ? ? +51823 HETATM C C19 A PL9 CJ 28 . ? 24.316 16.358 17.267 0.40 108.41 ? 412 PL9 a C19 1 ? ? +51824 HETATM C C19 B PL9 CJ 28 . ? 24.295 16.337 17.272 0.60 108.97 ? 412 PL9 a C19 1 ? ? +51825 HETATM C C20 A PL9 CJ 28 . ? 23.971 17.047 18.554 0.40 108.44 ? 412 PL9 a C20 1 ? ? +51826 HETATM C C20 B PL9 CJ 28 . ? 23.954 17.127 18.500 0.60 109.06 ? 412 PL9 a C20 1 ? ? +51827 HETATM C C21 A PL9 CJ 28 . ? 25.745 16.503 16.828 0.40 107.19 ? 412 PL9 a C21 1 ? ? +51828 HETATM C C21 B PL9 CJ 28 . ? 25.722 16.458 16.819 0.60 109.28 ? 412 PL9 a C21 1 ? ? +51829 HETATM C C22 A PL9 CJ 28 . ? 25.910 17.540 15.743 0.40 105.33 ? 412 PL9 a C22 1 ? ? +51830 HETATM C C22 B PL9 CJ 28 . ? 25.880 17.546 15.792 0.60 108.27 ? 412 PL9 a C22 1 ? ? +51831 HETATM C C23 A PL9 CJ 28 . ? 27.335 17.699 15.327 0.40 104.18 ? 412 PL9 a C23 1 ? ? +51832 HETATM C C23 B PL9 CJ 28 . ? 27.305 17.773 15.408 0.60 108.18 ? 412 PL9 a C23 1 ? ? +51833 HETATM C C24 A PL9 CJ 28 . ? 27.842 18.607 14.501 0.40 102.44 ? 412 PL9 a C24 1 ? ? +51834 HETATM C C24 B PL9 CJ 28 . ? 27.783 18.712 14.600 0.60 107.66 ? 412 PL9 a C24 1 ? ? +51835 HETATM C C25 A PL9 CJ 28 . ? 27.018 19.664 13.823 0.40 101.96 ? 412 PL9 a C25 1 ? ? +51836 HETATM C C25 B PL9 CJ 28 . ? 26.918 19.756 13.952 0.60 105.38 ? 412 PL9 a C25 1 ? ? +51837 HETATM C C26 A PL9 CJ 28 . ? 29.310 18.638 14.189 0.40 100.82 ? 412 PL9 a C26 1 ? ? +51838 HETATM C C26 B PL9 CJ 28 . ? 29.246 18.769 14.256 0.60 107.39 ? 412 PL9 a C26 1 ? ? +51839 HETATM C C27 A PL9 CJ 28 . ? 29.836 20.050 14.109 0.40 99.93 ? 412 PL9 a C27 1 ? ? +51840 HETATM C C27 B PL9 CJ 28 . ? 29.796 20.178 14.131 0.60 107.73 ? 412 PL9 a C27 1 ? ? +51841 HETATM C C28 A PL9 CJ 28 . ? 31.295 20.159 14.417 0.40 98.14 ? 412 PL9 a C28 1 ? ? +51842 HETATM C C28 B PL9 CJ 28 . ? 31.260 20.286 14.429 0.60 106.72 ? 412 PL9 a C28 1 ? ? +51843 HETATM C C29 A PL9 CJ 28 . ? 32.032 21.263 14.417 0.40 96.13 ? 412 PL9 a C29 1 ? ? +51844 HETATM C C29 B PL9 CJ 28 . ? 32.091 21.256 14.062 0.60 105.39 ? 412 PL9 a C29 1 ? ? +51845 HETATM C C30 A PL9 CJ 28 . ? 31.485 22.614 14.072 0.40 96.36 ? 412 PL9 a C30 1 ? ? +51846 HETATM C C30 B PL9 CJ 28 . ? 31.687 22.389 13.159 0.60 104.95 ? 412 PL9 a C30 1 ? ? +51847 HETATM C C31 A PL9 CJ 28 . ? 33.489 21.246 14.781 0.40 95.15 ? 412 PL9 a C31 1 ? ? +51848 HETATM C C31 B PL9 CJ 28 . ? 33.510 21.300 14.561 0.60 105.29 ? 412 PL9 a C31 1 ? ? +51849 HETATM C C32 A PL9 CJ 28 . ? 33.992 22.660 14.932 0.40 94.43 ? 412 PL9 a C32 1 ? ? +51850 HETATM C C32 B PL9 CJ 28 . ? 33.905 22.657 15.105 0.60 105.15 ? 412 PL9 a C32 1 ? ? +51851 HETATM C C33 A PL9 CJ 28 . ? 35.362 22.765 15.517 0.40 93.78 ? 412 PL9 a C33 1 ? ? +51852 HETATM C C33 B PL9 CJ 28 . ? 35.282 22.715 15.689 0.60 104.89 ? 412 PL9 a C33 1 ? ? +51853 HETATM C C34 A PL9 CJ 28 . ? 35.775 23.617 16.448 0.40 93.11 ? 412 PL9 a C34 1 ? ? +51854 HETATM C C34 B PL9 CJ 28 . ? 35.797 23.673 16.453 0.60 105.15 ? 412 PL9 a C34 1 ? ? +51855 HETATM C C35 A PL9 CJ 28 . ? 34.860 24.567 17.155 0.40 92.87 ? 412 PL9 a C35 1 ? ? +51856 HETATM C C35 B PL9 CJ 28 . ? 34.995 24.823 16.984 0.60 104.59 ? 412 PL9 a C35 1 ? ? +51857 HETATM C C36 A PL9 CJ 28 . ? 37.220 23.693 16.851 0.40 93.14 ? 412 PL9 a C36 1 ? ? +51858 HETATM C C36 B PL9 CJ 28 . ? 37.256 23.682 16.816 0.60 106.02 ? 412 PL9 a C36 1 ? ? +51859 HETATM C C37 A PL9 CJ 28 . ? 37.510 22.741 17.982 0.40 92.97 ? 412 PL9 a C37 1 ? ? +51860 HETATM C C37 B PL9 CJ 28 . ? 37.558 22.643 17.864 0.60 106.66 ? 412 PL9 a C37 1 ? ? +51861 HETATM C C38 A PL9 CJ 28 . ? 38.939 22.741 18.415 0.40 93.19 ? 412 PL9 a C38 1 ? ? +51862 HETATM C C38 B PL9 CJ 28 . ? 38.992 22.607 18.289 0.60 107.56 ? 412 PL9 a C38 1 ? ? +51863 HETATM C C39 A PL9 CJ 28 . ? 39.598 21.751 19.004 0.40 93.17 ? 412 PL9 a C39 1 ? ? +51864 HETATM C C39 B PL9 CJ 28 . ? 39.584 21.688 19.047 0.60 109.00 ? 412 PL9 a C39 1 ? ? +51865 HETATM C C40 A PL9 CJ 28 . ? 38.984 20.414 19.295 0.40 92.48 ? 412 PL9 a C40 1 ? ? +51866 HETATM C C40 B PL9 CJ 28 . ? 38.873 20.471 19.568 0.60 108.44 ? 412 PL9 a C40 1 ? ? +51867 HETATM C C41 A PL9 CJ 28 . ? 41.028 21.907 19.436 0.40 93.65 ? 412 PL9 a C41 1 ? ? +51868 HETATM C C41 B PL9 CJ 28 . ? 41.021 21.827 19.470 0.60 110.16 ? 412 PL9 a C41 1 ? ? +51869 HETATM C C42 A PL9 CJ 28 . ? 41.909 20.780 18.941 0.40 93.41 ? 412 PL9 a C42 1 ? ? +51870 HETATM C C42 B PL9 CJ 28 . ? 41.943 20.739 18.944 0.60 110.79 ? 412 PL9 a C42 1 ? ? +51871 HETATM C C43 A PL9 CJ 28 . ? 42.259 20.931 17.492 0.40 92.55 ? 412 PL9 a C43 1 ? ? +51872 HETATM C C43 B PL9 CJ 28 . ? 42.267 20.905 17.489 0.60 110.38 ? 412 PL9 a C43 1 ? ? +51873 HETATM C C44 A PL9 CJ 28 . ? 43.201 20.292 16.804 0.40 91.65 ? 412 PL9 a C44 1 ? ? +51874 HETATM C C44 B PL9 CJ 28 . ? 43.212 20.294 16.778 0.60 109.61 ? 412 PL9 a C44 1 ? ? +51875 HETATM C C45 A PL9 CJ 28 . ? 44.043 19.190 17.372 0.40 91.40 ? 412 PL9 a C45 1 ? ? +51876 HETATM C C45 B PL9 CJ 28 . ? 44.081 19.195 17.314 0.60 108.52 ? 412 PL9 a C45 1 ? ? +51877 HETATM C C46 A PL9 CJ 28 . ? 43.527 20.684 15.391 0.40 90.75 ? 412 PL9 a C46 1 ? ? +51878 HETATM C C46 B PL9 CJ 28 . ? 43.515 20.723 15.368 0.60 108.92 ? 412 PL9 a C46 1 ? ? +51879 HETATM C C47 A PL9 CJ 28 . ? 44.028 22.111 15.298 0.40 91.30 ? 412 PL9 a C47 1 ? ? +51880 HETATM C C47 B PL9 CJ 28 . ? 43.994 22.161 15.299 0.60 110.03 ? 412 PL9 a C47 1 ? ? +51881 HETATM C C48 A PL9 CJ 28 . ? 44.472 22.497 13.921 0.40 90.73 ? 412 PL9 a C48 1 ? ? +51882 HETATM C C48 B PL9 CJ 28 . ? 44.473 22.567 13.938 0.60 109.59 ? 412 PL9 a C48 1 ? ? +51883 HETATM C C49 A PL9 CJ 28 . ? 44.288 23.649 13.294 0.40 90.42 ? 412 PL9 a C49 1 ? ? +51884 HETATM C C49 B PL9 CJ 28 . ? 44.383 23.751 13.345 0.60 109.32 ? 412 PL9 a C49 1 ? ? +51885 HETATM C C50 A PL9 CJ 28 . ? 44.815 23.907 11.916 0.40 89.31 ? 412 PL9 a C50 1 ? ? +51886 HETATM C C50 B PL9 CJ 28 . ? 44.942 24.011 11.978 0.60 106.78 ? 412 PL9 a C50 1 ? ? +51887 HETATM C C51 A PL9 CJ 28 . ? 43.529 24.794 13.900 0.40 90.54 ? 412 PL9 a C51 1 ? ? +51888 HETATM C C51 B PL9 CJ 28 . ? 43.711 24.940 13.974 0.60 109.45 ? 412 PL9 a C51 1 ? ? +51889 HETATM C C52 A PL9 CJ 28 . ? 21.920 2.084 21.282 0.40 121.40 ? 412 PL9 a C52 1 ? ? +51890 HETATM C C52 B PL9 CJ 28 . ? 21.778 2.082 21.356 0.60 89.62 ? 412 PL9 a C52 1 ? ? +51891 HETATM C C53 A PL9 CJ 28 . ? 23.289 3.721 23.357 0.40 123.62 ? 412 PL9 a C53 1 ? ? +51892 HETATM C C53 B PL9 CJ 28 . ? 23.435 3.666 23.286 0.60 91.75 ? 412 PL9 a C53 1 ? ? +51893 HETATM O O1 A PL9 CJ 28 . ? 21.006 3.529 19.070 0.40 118.63 ? 412 PL9 a O1 1 ? ? +51894 HETATM O O1 B PL9 CJ 28 . ? 20.939 3.520 19.103 0.60 85.14 ? 412 PL9 a O1 1 ? ? +51895 HETATM O O2 A PL9 CJ 28 . ? 23.327 6.500 22.808 0.40 124.29 ? 412 PL9 a O2 1 ? ? +51896 HETATM O O2 B PL9 CJ 28 . ? 23.719 6.403 22.590 0.60 92.71 ? 412 PL9 a O2 1 ? ? +51897 HETATM O O6 . SQD CK 29 . ? 36.208 -32.482 -8.238 1.00 111.54 ? 620 SQD b O6 1 ? ? +51898 HETATM C C44 . SQD CK 29 . ? 36.323 -31.040 -8.284 1.00 109.89 ? 620 SQD b C44 1 ? ? +51899 HETATM C C45 . SQD CK 29 . ? 35.062 -30.307 -8.768 1.00 105.59 ? 620 SQD b C45 1 ? ? +51900 HETATM C C46 . SQD CK 29 . ? 33.777 -30.938 -8.283 1.00 103.32 ? 620 SQD b C46 1 ? ? +51901 HETATM O O47 . SQD CK 29 . ? 35.047 -28.953 -8.221 1.00 106.24 ? 620 SQD b O47 1 ? ? +51902 HETATM C C7 . SQD CK 29 . ? 34.348 -27.934 -8.785 1.00 101.86 ? 620 SQD b C7 1 ? ? +51903 HETATM O O49 . SQD CK 29 . ? 34.291 -26.903 -8.172 1.00 104.97 ? 620 SQD b O49 1 ? ? +51904 HETATM C C8 . SQD CK 29 . ? 33.636 -27.981 -10.114 1.00 98.04 ? 620 SQD b C8 1 ? ? +51905 HETATM C C9 . SQD CK 29 . ? 32.419 -27.070 -10.165 1.00 96.13 ? 620 SQD b C9 1 ? ? +51906 HETATM C C10 . SQD CK 29 . ? 32.287 -26.277 -11.462 1.00 94.70 ? 620 SQD b C10 1 ? ? +51907 HETATM C C11 . SQD CK 29 . ? 30.862 -25.889 -11.809 1.00 90.60 ? 620 SQD b C11 1 ? ? +51908 HETATM C C12 . SQD CK 29 . ? 30.727 -24.697 -12.744 1.00 90.75 ? 620 SQD b C12 1 ? ? +51909 HETATM C C13 . SQD CK 29 . ? 31.305 -24.906 -14.126 1.00 92.03 ? 620 SQD b C13 1 ? ? +51910 HETATM C C14 . SQD CK 29 . ? 31.269 -23.689 -15.029 1.00 92.06 ? 620 SQD b C14 1 ? ? +51911 HETATM C C15 . SQD CK 29 . ? 32.462 -23.581 -15.965 1.00 95.29 ? 620 SQD b C15 1 ? ? +51912 HETATM C C16 . SQD CK 29 . ? 32.116 -23.517 -17.434 1.00 98.16 ? 620 SQD b C16 1 ? ? +51913 HETATM C C17 . SQD CK 29 . ? 32.188 -22.132 -18.027 1.00 98.63 ? 620 SQD b C17 1 ? ? +51914 HETATM C C18 . SQD CK 29 . ? 33.594 -21.623 -18.221 1.00 95.86 ? 620 SQD b C18 1 ? ? +51915 HETATM C C19 . SQD CK 29 . ? 33.704 -20.497 -19.221 1.00 94.19 ? 620 SQD b C19 1 ? ? +51916 HETATM C C20 . SQD CK 29 . ? 35.096 -19.926 -19.357 1.00 91.26 ? 620 SQD b C20 1 ? ? +51917 HETATM C C21 . SQD CK 29 . ? 36.183 -20.945 -19.499 1.00 90.36 ? 620 SQD b C21 1 ? ? +51918 HETATM C C22 . SQD CK 29 . ? 37.472 -20.362 -20.002 1.00 91.47 ? 620 SQD b C22 1 ? ? +51919 HETATM O O48 . SQD CK 29 . ? 33.089 -31.514 -9.410 1.00 100.47 ? 620 SQD b O48 1 ? ? +51920 HETATM C C23 . SQD CK 29 . ? 31.796 -31.745 -9.239 1.00 94.29 ? 620 SQD b C23 1 ? ? +51921 HETATM O O10 . SQD CK 29 . ? 31.237 -31.646 -8.181 1.00 102.11 ? 620 SQD b O10 1 ? ? +51922 HETATM C C24 . SQD CK 29 . ? 31.128 -32.018 -10.541 1.00 88.78 ? 620 SQD b C24 1 ? ? +51923 HETATM C C25 . SQD CK 29 . ? 30.958 -30.777 -11.343 1.00 85.04 ? 620 SQD b C25 1 ? ? +51924 HETATM C C26 . SQD CK 29 . ? 29.735 -30.808 -12.231 1.00 83.07 ? 620 SQD b C26 1 ? ? +51925 HETATM C C27 . SQD CK 29 . ? 29.575 -29.571 -13.067 1.00 81.76 ? 620 SQD b C27 1 ? ? +51926 HETATM C C28 . SQD CK 29 . ? 28.970 -29.814 -14.418 1.00 80.74 ? 620 SQD b C28 1 ? ? +51927 HETATM C C29 . SQD CK 29 . ? 28.073 -28.710 -14.903 1.00 81.02 ? 620 SQD b C29 1 ? ? +51928 HETATM C C30 . SQD CK 29 . ? 28.711 -27.797 -15.910 1.00 81.48 ? 620 SQD b C30 1 ? ? +51929 HETATM C C31 . SQD CK 29 . ? 28.755 -28.355 -17.311 1.00 81.95 ? 620 SQD b C31 1 ? ? +51930 HETATM C C32 . SQD CK 29 . ? 29.154 -27.343 -18.369 1.00 81.39 ? 620 SQD b C32 1 ? ? +51931 HETATM C C33 . SQD CK 29 . ? 28.166 -26.228 -18.584 1.00 78.78 ? 620 SQD b C33 1 ? ? +51932 HETATM C C34 . SQD CK 29 . ? 26.745 -26.696 -18.640 1.00 79.01 ? 620 SQD b C34 1 ? ? +51933 HETATM C C35 . SQD CK 29 . ? 25.720 -25.595 -18.763 1.00 80.40 ? 620 SQD b C35 1 ? ? +51934 HETATM C C36 . SQD CK 29 . ? 24.358 -25.943 -18.176 1.00 79.30 ? 620 SQD b C36 1 ? ? +51935 HETATM C C37 . SQD CK 29 . ? 23.435 -24.769 -18.015 1.00 77.98 ? 620 SQD b C37 1 ? ? +51936 HETATM C C38 . SQD CK 29 . ? 23.098 -24.118 -19.332 1.00 77.57 ? 620 SQD b C38 1 ? ? +51937 HETATM C C1 . SQD CK 29 . ? 35.675 -32.987 -7.040 1.00 109.82 ? 620 SQD b C1 1 ? ? +51938 HETATM C C2 . SQD CK 29 . ? 35.734 -34.500 -6.970 1.00 107.11 ? 620 SQD b C2 1 ? ? +51939 HETATM O O2 . SQD CK 29 . ? 35.326 -35.089 -8.203 1.00 100.94 ? 620 SQD b O2 1 ? ? +51940 HETATM C C3 . SQD CK 29 . ? 34.871 -34.917 -5.777 1.00 107.00 ? 620 SQD b C3 1 ? ? +51941 HETATM O O3 . SQD CK 29 . ? 35.098 -36.300 -5.503 1.00 108.50 ? 620 SQD b O3 1 ? ? +51942 HETATM C C4 . SQD CK 29 . ? 35.125 -34.081 -4.498 1.00 107.36 ? 620 SQD b C4 1 ? ? +51943 HETATM O O4 . SQD CK 29 . ? 33.894 -34.007 -3.769 1.00 104.49 ? 620 SQD b O4 1 ? ? +51944 HETATM C C5 . SQD CK 29 . ? 35.609 -32.616 -4.736 1.00 108.68 ? 620 SQD b C5 1 ? ? +51945 HETATM C C6 . SQD CK 29 . ? 36.465 -32.025 -3.627 1.00 107.49 ? 620 SQD b C6 1 ? ? +51946 HETATM O O5 . SQD CK 29 . ? 36.397 -32.509 -5.933 1.00 110.59 ? 620 SQD b O5 1 ? ? +51947 HETATM S S . SQD CK 29 . ? 37.166 -30.414 -3.901 1.00 102.84 ? 620 SQD b S 1 ? ? +51948 HETATM O O7 . SQD CK 29 . ? 38.001 -30.493 -5.058 1.00 101.99 ? 620 SQD b O7 1 ? ? +51949 HETATM O O8 . SQD CK 29 . ? 35.935 -29.507 -4.201 1.00 100.76 ? 620 SQD b O8 1 ? ? +51950 HETATM O O9 . SQD CK 29 . ? 37.763 -30.020 -2.665 1.00 101.25 ? 620 SQD b O9 1 ? ? +51951 HETATM C C1A A DGD CL 36 . ? -17.183 16.219 1.591 0.40 63.88 ? 517 DGD c C1A 1 ? ? +51952 HETATM C C1A B DGD CL 36 . ? -17.186 16.298 1.534 0.60 66.67 ? 517 DGD c C1A 1 ? ? +51953 HETATM C C2A A DGD CL 36 . ? -17.280 15.016 2.499 0.40 65.04 ? 517 DGD c C2A 1 ? ? +51954 HETATM C C2A B DGD CL 36 . ? -17.242 15.102 2.463 0.60 68.80 ? 517 DGD c C2A 1 ? ? +51955 HETATM C C3A A DGD CL 36 . ? -17.020 13.721 1.746 0.40 65.68 ? 517 DGD c C3A 1 ? ? +51956 HETATM C C3A B DGD CL 36 . ? -17.031 13.769 1.754 0.60 70.45 ? 517 DGD c C3A 1 ? ? +51957 HETATM C C4A A DGD CL 36 . ? -16.550 12.635 2.711 0.40 66.78 ? 517 DGD c C4A 1 ? ? +51958 HETATM C C4A B DGD CL 36 . ? -16.529 12.692 2.718 0.60 72.74 ? 517 DGD c C4A 1 ? ? +51959 HETATM C C5A A DGD CL 36 . ? -17.549 12.427 3.842 0.40 68.87 ? 517 DGD c C5A 1 ? ? +51960 HETATM C C5A B DGD CL 36 . ? -17.482 12.463 3.884 0.60 76.39 ? 517 DGD c C5A 1 ? ? +51961 HETATM C C6A A DGD CL 36 . ? -17.026 11.412 4.855 0.40 70.35 ? 517 DGD c C6A 1 ? ? +51962 HETATM C C6A B DGD CL 36 . ? -16.924 11.422 4.847 0.60 79.71 ? 517 DGD c C6A 1 ? ? +51963 HETATM C C7A A DGD CL 36 . ? -18.109 11.001 5.858 0.40 72.54 ? 517 DGD c C7A 1 ? ? +51964 HETATM C C7A B DGD CL 36 . ? -17.981 10.972 5.864 0.60 83.98 ? 517 DGD c C7A 1 ? ? +51965 HETATM C C8A A DGD CL 36 . ? -18.542 9.549 5.642 0.40 74.10 ? 517 DGD c C8A 1 ? ? +51966 HETATM C C8A B DGD CL 36 . ? -18.497 9.560 5.565 0.60 87.68 ? 517 DGD c C8A 1 ? ? +51967 HETATM C C9A A DGD CL 36 . ? -19.308 8.965 6.833 0.40 76.10 ? 517 DGD c C9A 1 ? ? +51968 HETATM C C9A B DGD CL 36 . ? -19.265 8.946 6.739 0.60 91.37 ? 517 DGD c C9A 1 ? ? +51969 HETATM C CAA A DGD CL 36 . ? -18.369 8.215 7.778 0.40 77.10 ? 517 DGD c CAA 1 ? ? +51970 HETATM C CAA B DGD CL 36 . ? -18.302 8.286 7.727 0.60 93.55 ? 517 DGD c CAA 1 ? ? +51971 HETATM C CBA A DGD CL 36 . ? -19.057 7.940 9.113 0.40 78.88 ? 517 DGD c CBA 1 ? ? +51972 HETATM C CBA B DGD CL 36 . ? -18.996 7.996 9.059 0.60 96.67 ? 517 DGD c CBA 1 ? ? +51973 HETATM C CCA A DGD CL 36 . ? -18.273 8.551 10.274 0.40 79.78 ? 517 DGD c CCA 1 ? ? +51974 HETATM C CCA B DGD CL 36 . ? -18.246 8.599 10.253 0.60 98.25 ? 517 DGD c CCA 1 ? ? +51975 HETATM C CDA A DGD CL 36 . ? -19.176 9.416 11.153 0.40 81.16 ? 517 DGD c CDA 1 ? ? +51976 HETATM C CDA B DGD CL 36 . ? -19.186 9.374 11.187 0.60 100.15 ? 517 DGD c CDA 1 ? ? +51977 HETATM C CEA A DGD CL 36 . ? -18.662 9.487 12.590 0.40 81.55 ? 517 DGD c CEA 1 ? ? +51978 HETATM C CEA B DGD CL 36 . ? -18.668 9.446 12.625 0.60 100.23 ? 517 DGD c CEA 1 ? ? +51979 HETATM C CFA A DGD CL 36 . ? -18.676 8.107 13.237 0.40 81.40 ? 517 DGD c CFA 1 ? ? +51980 HETATM C CFA B DGD CL 36 . ? -18.702 8.079 13.309 0.60 99.41 ? 517 DGD c CFA 1 ? ? +51981 HETATM C CGA A DGD CL 36 . ? -17.878 8.090 14.530 0.40 81.30 ? 517 DGD c CGA 1 ? ? +51982 HETATM C CGA B DGD CL 36 . ? -18.101 8.123 14.705 0.60 98.48 ? 517 DGD c CGA 1 ? ? +51983 HETATM O O1A A DGD CL 36 . ? -17.150 16.131 0.370 0.40 63.56 ? 517 DGD c O1A 1 ? ? +51984 HETATM O O1A B DGD CL 36 . ? -17.312 16.240 0.313 0.60 66.29 ? 517 DGD c O1A 1 ? ? +51985 HETATM C C1B A DGD CL 36 . ? -19.518 18.173 4.853 0.40 62.62 ? 517 DGD c C1B 1 ? ? +51986 HETATM C C1B B DGD CL 36 . ? -19.580 18.234 4.913 0.60 63.26 ? 517 DGD c C1B 1 ? ? +51987 HETATM C C2B A DGD CL 36 . ? -19.375 18.368 6.336 0.40 63.16 ? 517 DGD c C2B 1 ? ? +51988 HETATM C C2B B DGD CL 36 . ? -19.273 18.403 6.374 0.60 63.74 ? 517 DGD c C2B 1 ? ? +51989 HETATM C C3B A DGD CL 36 . ? -18.899 17.046 6.911 0.40 63.01 ? 517 DGD c C3B 1 ? ? +51990 HETATM C C3B B DGD CL 36 . ? -18.863 17.058 6.952 0.60 63.64 ? 517 DGD c C3B 1 ? ? +51991 HETATM C C4B A DGD CL 36 . ? -17.679 16.577 6.140 0.40 62.43 ? 517 DGD c C4B 1 ? ? +51992 HETATM C C4B B DGD CL 36 . ? -17.670 16.474 6.214 0.60 63.07 ? 517 DGD c C4B 1 ? ? +51993 HETATM C C5B A DGD CL 36 . ? -16.486 16.480 7.072 0.40 62.44 ? 517 DGD c C5B 1 ? ? +51994 HETATM C C5B B DGD CL 36 . ? -16.479 16.371 7.140 0.60 63.15 ? 517 DGD c C5B 1 ? ? +51995 HETATM C C6B A DGD CL 36 . ? -15.239 16.024 6.325 0.40 61.86 ? 517 DGD c C6B 1 ? ? +51996 HETATM C C6B B DGD CL 36 . ? -15.249 15.922 6.362 0.60 62.56 ? 517 DGD c C6B 1 ? ? +51997 HETATM C C7B A DGD CL 36 . ? -14.263 15.421 7.321 0.40 61.90 ? 517 DGD c C7B 1 ? ? +51998 HETATM C C7B B DGD CL 36 . ? -14.216 15.401 7.346 0.60 62.68 ? 517 DGD c C7B 1 ? ? +51999 HETATM C C8B A DGD CL 36 . ? -13.080 14.747 6.644 0.40 61.37 ? 517 DGD c C8B 1 ? ? +52000 HETATM C C8B B DGD CL 36 . ? -13.050 14.709 6.659 0.60 62.15 ? 517 DGD c C8B 1 ? ? +52001 HETATM C C9B A DGD CL 36 . ? -12.463 13.743 7.604 0.40 61.43 ? 517 DGD c C9B 1 ? ? +52002 HETATM C C9B B DGD CL 36 . ? -12.448 13.688 7.612 0.60 62.22 ? 517 DGD c C9B 1 ? ? +52003 HETATM C CAB A DGD CL 36 . ? -10.963 13.650 7.386 0.40 61.21 ? 517 DGD c CAB 1 ? ? +52004 HETATM C CAB B DGD CL 36 . ? -10.948 13.574 7.416 0.60 62.08 ? 517 DGD c CAB 1 ? ? +52005 HETATM C CBB A DGD CL 36 . ? -10.272 13.232 8.672 0.40 61.58 ? 517 DGD c CBB 1 ? ? +52006 HETATM C CBB B DGD CL 36 . ? -10.287 13.152 8.711 0.60 62.69 ? 517 DGD c CBB 1 ? ? +52007 HETATM C CCB A DGD CL 36 . ? -8.887 12.652 8.416 0.40 61.35 ? 517 DGD c CCB 1 ? ? +52008 HETATM C CCB B DGD CL 36 . ? -8.836 12.728 8.508 0.60 62.74 ? 517 DGD c CCB 1 ? ? +52009 HETATM C CDB A DGD CL 36 . ? -8.454 11.845 9.635 0.40 61.71 ? 517 DGD c CDB 1 ? ? +52010 HETATM C CDB B DGD CL 36 . ? -8.458 11.751 9.614 0.60 63.25 ? 517 DGD c CDB 1 ? ? +52011 HETATM C CEB A DGD CL 36 . ? -7.017 11.356 9.531 0.40 61.43 ? 517 DGD c CEB 1 ? ? +52012 HETATM C CEB B DGD CL 36 . ? -7.060 11.179 9.445 0.60 63.16 ? 517 DGD c CEB 1 ? ? +52013 HETATM C CFB A DGD CL 36 . ? -6.871 10.052 10.314 0.40 61.59 ? 517 DGD c CFB 1 ? ? +52014 HETATM C CFB B DGD CL 36 . ? -6.900 9.958 10.361 0.60 63.48 ? 517 DGD c CFB 1 ? ? +52015 HETATM C CGB A DGD CL 36 . ? -5.472 9.920 10.916 0.40 61.32 ? 517 DGD c CGB 1 ? ? +52016 HETATM C CGB B DGD CL 36 . ? -5.513 9.892 11.009 0.60 63.14 ? 517 DGD c CGB 1 ? ? +52017 HETATM O O1B A DGD CL 36 . ? -20.233 17.289 4.420 0.40 62.51 ? 517 DGD c O1B 1 ? ? +52018 HETATM O O1B B DGD CL 36 . ? -20.465 17.474 4.567 0.60 63.22 ? 517 DGD c O1B 1 ? ? +52019 HETATM O O1G A DGD CL 36 . ? -17.139 17.530 2.204 0.40 62.62 ? 517 DGD c O1G 1 ? ? +52020 HETATM O O1G B DGD CL 36 . ? -16.986 17.588 2.157 0.60 64.26 ? 517 DGD c O1G 1 ? ? +52021 HETATM C C1G A DGD CL 36 . ? -17.973 18.558 1.693 0.40 61.98 ? 517 DGD c C1G 1 ? ? +52022 HETATM C C1G B DGD CL 36 . ? -17.778 18.700 1.773 0.60 63.03 ? 517 DGD c C1G 1 ? ? +52023 HETATM C C2G A DGD CL 36 . ? -19.183 18.776 2.596 0.40 61.82 ? 517 DGD c C2G 1 ? ? +52024 HETATM C C2G B DGD CL 36 . ? -19.072 18.769 2.585 0.60 62.40 ? 517 DGD c C2G 1 ? ? +52025 HETATM O O2G A DGD CL 36 . ? -18.785 19.023 3.936 0.40 62.17 ? 517 DGD c O2G 1 ? ? +52026 HETATM O O2G B DGD CL 36 . ? -18.771 18.975 3.958 0.60 62.76 ? 517 DGD c O2G 1 ? ? +52027 HETATM C C3G A DGD CL 36 . ? -19.930 19.972 2.039 0.40 61.45 ? 517 DGD c C3G 1 ? ? +52028 HETATM C C3G B DGD CL 36 . ? -19.884 19.939 2.059 0.60 61.69 ? 517 DGD c C3G 1 ? ? +52029 HETATM O O3G A DGD CL 36 . ? -20.210 19.646 0.684 0.40 60.35 ? 517 DGD c O3G 1 ? ? +52030 HETATM O O3G B DGD CL 36 . ? -20.201 19.630 0.704 0.60 60.30 ? 517 DGD c O3G 1 ? ? +52031 HETATM C C1D A DGD CL 36 . ? -20.372 20.775 -0.160 0.40 59.82 ? 517 DGD c C1D 1 ? ? +52032 HETATM C C1D B DGD CL 36 . ? -20.334 20.755 -0.150 0.60 59.49 ? 517 DGD c C1D 1 ? ? +52033 HETATM C C2D A DGD CL 36 . ? -20.546 20.267 -1.594 0.40 59.27 ? 517 DGD c C2D 1 ? ? +52034 HETATM C C2D B DGD CL 36 . ? -20.470 20.262 -1.598 0.60 58.83 ? 517 DGD c C2D 1 ? ? +52035 HETATM O O2D A DGD CL 36 . ? -19.291 19.759 -2.086 0.40 58.50 ? 517 DGD c O2D 1 ? ? +52036 HETATM O O2D B DGD CL 36 . ? -19.204 19.782 -2.096 0.60 58.00 ? 517 DGD c O2D 1 ? ? +52037 HETATM C C3D A DGD CL 36 . ? -21.064 21.357 -2.522 0.40 59.39 ? 517 DGD c C3D 1 ? ? +52038 HETATM C C3D B DGD CL 36 . ? -21.010 21.361 -2.513 0.60 58.90 ? 517 DGD c C3D 1 ? ? +52039 HETATM O O3D A DGD CL 36 . ? -21.575 20.796 -3.731 0.40 59.26 ? 517 DGD c O3D 1 ? ? +52040 HETATM O O3D B DGD CL 36 . ? -21.487 20.839 -3.751 0.60 58.78 ? 517 DGD c O3D 1 ? ? +52041 HETATM C C4D A DGD CL 36 . ? -22.218 22.067 -1.872 0.40 60.00 ? 517 DGD c C4D 1 ? ? +52042 HETATM C C4D B DGD CL 36 . ? -22.193 22.023 -1.873 0.60 59.46 ? 517 DGD c C4D 1 ? ? +52043 HETATM O O4D A DGD CL 36 . ? -23.221 21.070 -1.716 0.40 60.19 ? 517 DGD c O4D 1 ? ? +52044 HETATM O O4D B DGD CL 36 . ? -23.157 20.987 -1.732 0.60 59.61 ? 517 DGD c O4D 1 ? ? +52045 HETATM C C5D A DGD CL 36 . ? -21.849 22.610 -0.509 0.40 60.11 ? 517 DGD c C5D 1 ? ? +52046 HETATM C C5D B DGD CL 36 . ? -21.830 22.573 -0.512 0.60 59.55 ? 517 DGD c C5D 1 ? ? +52047 HETATM O O5D A DGD CL 36 . ? -22.987 24.696 -0.315 0.40 60.61 ? 517 DGD c O5D 1 ? ? +52048 HETATM O O5D B DGD CL 36 . ? -22.960 24.628 -0.404 0.60 59.88 ? 517 DGD c O5D 1 ? ? +52049 HETATM C C6D A DGD CL 36 . ? -23.017 23.346 0.122 0.40 60.67 ? 517 DGD c C6D 1 ? ? +52050 HETATM C C6D B DGD CL 36 . ? -22.987 23.312 0.126 0.60 60.04 ? 517 DGD c C6D 1 ? ? +52051 HETATM O O6D A DGD CL 36 . ? -21.498 21.513 0.318 0.40 60.19 ? 517 DGD c O6D 1 ? ? +52052 HETATM O O6D B DGD CL 36 . ? -21.472 21.486 0.319 0.60 59.75 ? 517 DGD c O6D 1 ? ? +52053 HETATM C C1E A DGD CL 36 . ? -24.198 25.036 -0.972 0.40 60.80 ? 517 DGD c C1E 1 ? ? +52054 HETATM C C1E B DGD CL 36 . ? -24.177 25.043 -1.008 0.60 60.04 ? 517 DGD c C1E 1 ? ? +52055 HETATM C C2E A DGD CL 36 . ? -23.838 25.872 -2.178 0.40 60.58 ? 517 DGD c C2E 1 ? ? +52056 HETATM C C2E B DGD CL 36 . ? -23.803 25.916 -2.182 0.60 59.79 ? 517 DGD c C2E 1 ? ? +52057 HETATM O O2E A DGD CL 36 . ? -23.081 25.109 -3.112 0.40 59.82 ? 517 DGD c O2E 1 ? ? +52058 HETATM O O2E B DGD CL 36 . ? -23.059 25.182 -3.144 0.60 59.04 ? 517 DGD c O2E 1 ? ? +52059 HETATM C C3E A DGD CL 36 . ? -23.036 27.061 -1.701 0.40 60.62 ? 517 DGD c C3E 1 ? ? +52060 HETATM C C3E B DGD CL 36 . ? -22.991 27.083 -1.674 0.60 59.81 ? 517 DGD c C3E 1 ? ? +52061 HETATM O O3E A DGD CL 36 . ? -22.768 27.900 -2.820 0.40 60.58 ? 517 DGD c O3E 1 ? ? +52062 HETATM O O3E B DGD CL 36 . ? -22.731 27.927 -2.780 0.60 59.72 ? 517 DGD c O3E 1 ? ? +52063 HETATM C C4E A DGD CL 36 . ? -23.837 27.836 -0.671 0.40 61.41 ? 517 DGD c C4E 1 ? ? +52064 HETATM C C4E B DGD CL 36 . ? -23.767 27.859 -0.627 0.60 60.61 ? 517 DGD c C4E 1 ? ? +52065 HETATM O O4E A DGD CL 36 . ? -24.929 28.461 -1.352 0.40 62.02 ? 517 DGD c O4E 1 ? ? +52066 HETATM O O4E B DGD CL 36 . ? -24.830 28.543 -1.296 0.60 61.22 ? 517 DGD c O4E 1 ? ? +52067 HETATM C C5E A DGD CL 36 . ? -24.378 26.940 0.437 0.40 61.54 ? 517 DGD c C5E 1 ? ? +52068 HETATM C C5E B DGD CL 36 . ? -24.330 26.948 0.464 0.60 60.77 ? 517 DGD c C5E 1 ? ? +52069 HETATM O O6E A DGD CL 36 . ? -25.035 25.798 -0.104 0.40 61.45 ? 517 DGD c O6E 1 ? ? +52070 HETATM O O6E B DGD CL 36 . ? -24.972 25.797 -0.089 0.60 60.66 ? 517 DGD c O6E 1 ? ? +52071 HETATM C C6E A DGD CL 36 . ? -25.346 27.726 1.309 0.40 62.38 ? 517 DGD c C6E 1 ? ? +52072 HETATM C C6E B DGD CL 36 . ? -25.316 27.703 1.345 0.60 61.63 ? 517 DGD c C6E 1 ? ? +52073 HETATM O O5E A DGD CL 36 . ? -24.713 28.956 1.691 0.40 62.58 ? 517 DGD c O5E 1 ? ? +52074 HETATM O O5E B DGD CL 36 . ? -24.700 28.923 1.793 0.60 61.87 ? 517 DGD c O5E 1 ? ? +52075 HETATM C C1B . LMT CM 37 . ? 21.657 54.265 9.960 1.00 160.73 ? 101 LMT e C1B 1 ? ? +52076 HETATM C C2B . LMT CM 37 . ? 21.170 55.254 8.907 1.00 161.81 ? 101 LMT e C2B 1 ? ? +52077 HETATM C C3B . LMT CM 37 . ? 20.500 54.523 7.746 1.00 162.17 ? 101 LMT e C3B 1 ? ? +52078 HETATM C C4B . LMT CM 37 . ? 21.399 53.423 7.188 1.00 160.62 ? 101 LMT e C4B 1 ? ? +52079 HETATM C C5B . LMT CM 37 . ? 21.888 52.504 8.315 1.00 157.24 ? 101 LMT e C5B 1 ? ? +52080 HETATM C C6B . LMT CM 37 . ? 22.909 51.487 7.855 1.00 151.08 ? 101 LMT e C6B 1 ? ? +52081 HETATM O O1B . LMT CM 37 . ? 20.542 53.633 10.559 1.00 159.32 ? 101 LMT e O1B 1 ? ? +52082 HETATM O O2B . LMT CM 37 . ? 20.277 56.197 9.493 1.00 161.20 ? 101 LMT e O2B 1 ? ? +52083 HETATM O O3B . LMT CM 37 . ? 20.182 55.469 6.725 1.00 163.20 ? 101 LMT e O3B 1 ? ? +52084 HETATM O O4' . LMT CM 37 . ? 20.684 52.646 6.224 1.00 155.57 ? 101 LMT e O4' 1 ? ? +52085 HETATM O O5B . LMT CM 37 . ? 22.519 53.294 9.358 1.00 159.95 ? 101 LMT e O5B 1 ? ? +52086 HETATM O O6B . LMT CM 37 . ? 23.145 50.506 8.867 1.00 144.76 ? 101 LMT e O6B 1 ? ? +52087 HETATM C C1' . LMT CM 37 . ? 19.029 52.612 14.282 1.00 143.31 ? 101 LMT e C1' 1 ? ? +52088 HETATM C C2' . LMT CM 37 . ? 18.384 53.825 13.621 1.00 145.05 ? 101 LMT e C2' 1 ? ? +52089 HETATM C C3' . LMT CM 37 . ? 18.750 53.849 12.138 1.00 147.75 ? 101 LMT e C3' 1 ? ? +52090 HETATM C C4' . LMT CM 37 . ? 20.269 53.799 11.962 1.00 151.94 ? 101 LMT e C4' 1 ? ? +52091 HETATM C C5' . LMT CM 37 . ? 20.857 52.617 12.736 1.00 150.02 ? 101 LMT e C5' 1 ? ? +52092 HETATM C C6' . LMT CM 37 . ? 22.371 52.563 12.730 1.00 150.25 ? 101 LMT e C6' 1 ? ? +52093 HETATM O O1' . LMT CM 37 . ? 18.718 52.598 15.653 1.00 139.06 ? 101 LMT e O1' 1 ? ? +52094 HETATM O O2' . LMT CM 37 . ? 16.970 53.817 13.808 1.00 140.88 ? 101 LMT e O2' 1 ? ? +52095 HETATM O O3' . LMT CM 37 . ? 18.193 55.018 11.534 1.00 144.70 ? 101 LMT e O3' 1 ? ? +52096 HETATM O O5' . LMT CM 37 . ? 20.437 52.685 14.124 1.00 146.30 ? 101 LMT e O5' 1 ? ? +52097 HETATM O O6' . LMT CM 37 . ? 22.839 51.395 12.045 1.00 148.68 ? 101 LMT e O6' 1 ? ? +52098 HETATM C C1 . LMT CM 37 . ? 18.172 51.358 16.147 1.00 133.81 ? 101 LMT e C1 1 ? ? +52099 HETATM C C2 . LMT CM 37 . ? 18.630 51.132 17.565 1.00 130.73 ? 101 LMT e C2 1 ? ? +52100 HETATM C C3 . LMT CM 37 . ? 17.827 50.073 18.303 1.00 126.72 ? 101 LMT e C3 1 ? ? +52101 HETATM C C4 . LMT CM 37 . ? 18.454 48.689 18.272 1.00 125.27 ? 101 LMT e C4 1 ? ? +52102 HETATM C C5 . LMT CM 37 . ? 18.302 47.891 19.555 1.00 123.43 ? 101 LMT e C5 1 ? ? +52103 HETATM C C6 . LMT CM 37 . ? 18.362 46.383 19.375 1.00 120.55 ? 101 LMT e C6 1 ? ? +52104 HETATM C C7 . LMT CM 37 . ? 19.368 45.667 20.254 1.00 120.11 ? 101 LMT e C7 1 ? ? +52105 HETATM C C8 . LMT CM 37 . ? 18.757 44.724 21.263 1.00 121.29 ? 101 LMT e C8 1 ? ? +52106 HETATM C C9 . LMT CM 37 . ? 19.710 43.674 21.790 1.00 123.89 ? 101 LMT e C9 1 ? ? +52107 HETATM C C10 . LMT CM 37 . ? 19.077 42.651 22.717 1.00 124.27 ? 101 LMT e C10 1 ? ? +52108 HETATM C C11 . LMT CM 37 . ? 19.985 41.518 23.166 1.00 124.06 ? 101 LMT e C11 1 ? ? +52109 HETATM C C12 . LMT CM 37 . ? 21.385 41.927 23.590 1.00 123.27 ? 101 LMT e C12 1 ? ? +52110 HETATM MG MG . CLA CN 33 . ? -32.445 -47.280 -31.441 1.00 78.67 ? 601 CLA B MG 1 ? ? +52111 HETATM C CHA . CLA CN 33 . ? -35.785 -47.805 -32.231 1.00 79.75 ? 601 CLA B CHA 1 ? ? +52112 HETATM C CHB . CLA CN 33 . ? -33.353 -47.010 -28.159 1.00 77.19 ? 601 CLA B CHB 1 ? ? +52113 HETATM C CHC . CLA CN 33 . ? -29.251 -48.293 -30.404 1.00 73.31 ? 601 CLA B CHC 1 ? ? +52114 HETATM C CHD . CLA CN 33 . ? -31.613 -48.911 -34.616 1.00 75.19 ? 601 CLA B CHD 1 ? ? +52115 HETATM N NA . CLA CN 33 . ? -34.178 -47.409 -30.388 1.00 79.52 ? 601 CLA B NA 1 ? ? +52116 HETATM C C1A . CLA CN 33 . ? -35.401 -47.517 -30.836 1.00 80.85 ? 601 CLA B C1A 1 ? ? +52117 HETATM C C2A . CLA CN 33 . ? -36.475 -47.131 -29.854 1.00 83.54 ? 601 CLA B C2A 1 ? ? +52118 HETATM C C3A . CLA CN 33 . ? -35.684 -46.765 -28.628 1.00 81.26 ? 601 CLA B C3A 1 ? ? +52119 HETATM C C4A . CLA CN 33 . ? -34.295 -47.101 -29.077 1.00 79.15 ? 601 CLA B C4A 1 ? ? +52120 HETATM C CMA . CLA CN 33 . ? -35.784 -45.291 -28.252 1.00 80.22 ? 601 CLA B CMA 1 ? ? +52121 HETATM C CAA . CLA CN 33 . ? -37.467 -48.254 -29.605 1.00 88.89 ? 601 CLA B CAA 1 ? ? +52122 HETATM C CBA . CLA CN 33 . ? -36.860 -49.469 -28.897 1.00 93.85 ? 601 CLA B CBA 1 ? ? +52123 HETATM C CGA . CLA CN 33 . ? -37.328 -50.801 -29.460 1.00 104.32 ? 601 CLA B CGA 1 ? ? +52124 HETATM O O1A . CLA CN 33 . ? -36.831 -51.827 -28.990 1.00 106.01 ? 601 CLA B O1A 1 ? ? +52125 HETATM O O2A . CLA CN 33 . ? -38.356 -50.874 -30.530 1.00 119.17 ? 601 CLA B O2A 1 ? ? +52126 HETATM N NB . CLA CN 33 . ? -31.502 -47.632 -29.636 1.00 75.72 ? 601 CLA B NB 1 ? ? +52127 HETATM C C1B . CLA CN 33 . ? -31.970 -47.363 -28.391 1.00 75.77 ? 601 CLA B C1B 1 ? ? +52128 HETATM C C2B . CLA CN 33 . ? -31.079 -47.593 -27.226 1.00 74.57 ? 601 CLA B C2B 1 ? ? +52129 HETATM C C3B . CLA CN 33 . ? -29.857 -47.992 -27.903 1.00 74.27 ? 601 CLA B C3B 1 ? ? +52130 HETATM C C4B . CLA CN 33 . ? -30.201 -47.932 -29.355 1.00 74.63 ? 601 CLA B C4B 1 ? ? +52131 HETATM C CMB . CLA CN 33 . ? -31.324 -47.423 -25.751 1.00 74.57 ? 601 CLA B CMB 1 ? ? +52132 HETATM C CAB . CLA CN 33 . ? -28.591 -48.289 -27.179 1.00 73.10 ? 601 CLA B CAB 1 ? ? +52133 HETATM C CBB . CLA CN 33 . ? -27.425 -48.418 -27.770 1.00 72.79 ? 601 CLA B CBB 1 ? ? +52134 HETATM N NC . CLA CN 33 . ? -30.883 -48.371 -32.280 1.00 75.11 ? 601 CLA B NC 1 ? ? +52135 HETATM C C1C . CLA CN 33 . ? -29.634 -48.588 -31.770 1.00 73.59 ? 601 CLA B C1C 1 ? ? +52136 HETATM C C2C . CLA CN 33 . ? -28.624 -49.277 -32.613 1.00 73.17 ? 601 CLA B C2C 1 ? ? +52137 HETATM C C3C . CLA CN 33 . ? -29.346 -49.447 -33.854 1.00 73.49 ? 601 CLA B C3C 1 ? ? +52138 HETATM C C4C . CLA CN 33 . ? -30.645 -48.819 -33.554 1.00 74.43 ? 601 CLA B C4C 1 ? ? +52139 HETATM C CMC . CLA CN 33 . ? -27.190 -49.683 -32.343 1.00 71.97 ? 601 CLA B CMC 1 ? ? +52140 HETATM C CAC . CLA CN 33 . ? -28.834 -50.027 -35.151 1.00 73.27 ? 601 CLA B CAC 1 ? ? +52141 HETATM C CBC . CLA CN 33 . ? -28.387 -48.837 -36.015 1.00 72.24 ? 601 CLA B CBC 1 ? ? +52142 HETATM N ND . CLA CN 33 . ? -33.381 -48.426 -32.869 1.00 78.64 ? 601 CLA B ND 1 ? ? +52143 HETATM C C1D . CLA CN 33 . ? -32.979 -48.635 -34.282 1.00 77.18 ? 601 CLA B C1D 1 ? ? +52144 HETATM C C2D . CLA CN 33 . ? -34.110 -48.703 -35.248 1.00 76.63 ? 601 CLA B C2D 1 ? ? +52145 HETATM C C3D . CLA CN 33 . ? -35.193 -48.308 -34.359 1.00 78.20 ? 601 CLA B C3D 1 ? ? +52146 HETATM C C4D . CLA CN 33 . ? -34.712 -48.099 -33.129 1.00 78.26 ? 601 CLA B C4D 1 ? ? +52147 HETATM C CMD . CLA CN 33 . ? -34.311 -48.986 -36.708 1.00 76.62 ? 601 CLA B CMD 1 ? ? +52148 HETATM C CAD . CLA CN 33 . ? -36.663 -48.106 -34.375 1.00 79.87 ? 601 CLA B CAD 1 ? ? +52149 HETATM O OBD . CLA CN 33 . ? -37.394 -48.199 -35.420 1.00 79.07 ? 601 CLA B OBD 1 ? ? +52150 HETATM C CBD . CLA CN 33 . ? -37.088 -47.720 -32.991 1.00 80.66 ? 601 CLA B CBD 1 ? ? +52151 HETATM C CGD . CLA CN 33 . ? -37.633 -46.322 -32.981 1.00 80.52 ? 601 CLA B CGD 1 ? ? +52152 HETATM O O1D . CLA CN 33 . ? -38.582 -46.065 -32.285 1.00 82.00 ? 601 CLA B O1D 1 ? ? +52153 HETATM O O2D . CLA CN 33 . ? -37.048 -45.251 -33.772 1.00 78.92 ? 601 CLA B O2D 1 ? ? +52154 HETATM C CED . CLA CN 33 . ? -37.698 -44.005 -33.991 1.00 78.62 ? 601 CLA B CED 1 ? ? +52155 HETATM C C1 . CLA CN 33 . ? -38.321 -51.861 -31.585 1.00 124.16 ? 601 CLA B C1 1 ? ? +52156 HETATM C C2 . CLA CN 33 . ? -38.864 -51.435 -32.960 1.00 124.64 ? 601 CLA B C2 1 ? ? +52157 HETATM C C3 . CLA CN 33 . ? -38.349 -51.877 -34.147 1.00 122.01 ? 601 CLA B C3 1 ? ? +52158 HETATM C C4 . CLA CN 33 . ? -38.930 -51.429 -35.467 1.00 121.30 ? 601 CLA B C4 1 ? ? +52159 HETATM C C5 . CLA CN 33 . ? -37.168 -52.827 -34.212 1.00 117.33 ? 601 CLA B C5 1 ? ? +52160 HETATM C C6 . CLA CN 33 . ? -35.868 -52.064 -34.456 1.00 114.10 ? 601 CLA B C6 1 ? ? +52161 HETATM C C7 . CLA CN 33 . ? -35.233 -51.441 -33.214 1.00 113.38 ? 601 CLA B C7 1 ? ? +52162 HETATM C C8 . CLA CN 33 . ? -34.338 -52.341 -32.348 1.00 110.76 ? 601 CLA B C8 1 ? ? +52163 HETATM C C9 . CLA CN 33 . ? -34.001 -53.792 -32.702 1.00 110.30 ? 601 CLA B C9 1 ? ? +52164 HETATM C C10 . CLA CN 33 . ? -33.614 -51.672 -31.205 1.00 107.62 ? 601 CLA B C10 1 ? ? +52165 HETATM C C11 . CLA CN 33 . ? -32.384 -52.335 -30.638 1.00 105.63 ? 601 CLA B C11 1 ? ? +52166 HETATM C C12 . CLA CN 33 . ? -31.808 -51.413 -29.570 1.00 105.56 ? 601 CLA B C12 1 ? ? +52167 HETATM C C13 . CLA CN 33 . ? -32.046 -51.946 -28.159 1.00 108.57 ? 601 CLA B C13 1 ? ? +52168 HETATM C C14 . CLA CN 33 . ? -33.391 -51.463 -27.593 1.00 112.26 ? 601 CLA B C14 1 ? ? +52169 HETATM C C15 . CLA CN 33 . ? -30.866 -51.554 -27.265 1.00 108.86 ? 601 CLA B C15 1 ? ? +52170 HETATM C C16 . CLA CN 33 . ? -30.979 -52.164 -25.862 1.00 109.66 ? 601 CLA B C16 1 ? ? +52171 HETATM C C17 . CLA CN 33 . ? -29.681 -52.778 -25.303 1.00 107.92 ? 601 CLA B C17 1 ? ? +52172 HETATM C C18 . CLA CN 33 . ? -29.037 -51.937 -24.202 1.00 107.52 ? 601 CLA B C18 1 ? ? +52173 HETATM C C19 . CLA CN 33 . ? -29.635 -50.629 -23.707 1.00 107.52 ? 601 CLA B C19 1 ? ? +52174 HETATM C C20 . CLA CN 33 . ? -27.796 -52.253 -23.407 1.00 108.36 ? 601 CLA B C20 1 ? ? +52175 HETATM C C1 . GOL CO 38 . ? -4.646 -49.005 -2.639 1.00 80.87 ? 627 GOL B C1 1 ? ? +52176 HETATM O O1 . GOL CO 38 . ? -3.382 -49.242 -3.255 1.00 79.21 ? 627 GOL B O1 1 ? ? +52177 HETATM C C2 . GOL CO 38 . ? -4.752 -47.610 -2.042 1.00 80.38 ? 627 GOL B C2 1 ? ? +52178 HETATM O O2 . GOL CO 38 . ? -3.586 -47.292 -1.282 1.00 81.81 ? 627 GOL B O2 1 ? ? +52179 HETATM C C3 . GOL CO 38 . ? -5.981 -47.432 -1.176 1.00 77.93 ? 627 GOL B C3 1 ? ? +52180 HETATM O O3 . GOL CO 38 . ? -6.518 -48.691 -0.786 1.00 76.65 ? 627 GOL B O3 1 ? ? +52181 HETATM C C1 . HTG CP 35 . ? 56.054 -67.242 -79.767 1.00 121.84 ? 522 HTG C C1 1 ? ? +52182 HETATM S S1 . HTG CP 35 . ? 55.719 -67.698 -78.037 1.00 127.82 ? 522 HTG C S1 1 ? ? +52183 HETATM C C2 . HTG CP 35 . ? 55.100 -66.104 -80.151 1.00 117.72 ? 522 HTG C C2 1 ? ? +52184 HETATM O O2 . HTG CP 35 . ? 53.748 -66.545 -80.074 1.00 113.31 ? 522 HTG C O2 1 ? ? +52185 HETATM C C3 . HTG CP 35 . ? 55.400 -65.641 -81.575 1.00 116.11 ? 522 HTG C C3 1 ? ? +52186 HETATM O O3 . HTG CP 35 . ? 54.571 -64.537 -81.937 1.00 113.35 ? 522 HTG C O3 1 ? ? +52187 HETATM C C4 . HTG CP 35 . ? 56.864 -65.271 -81.715 1.00 114.80 ? 522 HTG C C4 1 ? ? +52188 HETATM O O4 . HTG CP 35 . ? 57.162 -64.922 -83.062 1.00 114.08 ? 522 HTG C O4 1 ? ? +52189 HETATM C C5 . HTG CP 35 . ? 57.735 -66.454 -81.297 1.00 115.07 ? 522 HTG C C5 1 ? ? +52190 HETATM O O5 . HTG CP 35 . ? 57.412 -66.842 -79.946 1.00 118.84 ? 522 HTG C O5 1 ? ? +52191 HETATM C C6 . HTG CP 35 . ? 59.221 -66.125 -81.337 1.00 113.69 ? 522 HTG C C6 1 ? ? +52192 HETATM O O6 . HTG CP 35 . ? 59.981 -67.184 -81.918 1.00 112.79 ? 522 HTG C O6 1 ? ? +52193 HETATM C C1' . HTG CP 35 . ? 56.268 -69.450 -77.995 1.00 129.74 ? 522 HTG C C1' 1 ? ? +52194 HETATM C C2' . HTG CP 35 . ? 55.677 -70.177 -76.802 1.00 130.11 ? 522 HTG C C2' 1 ? ? +52195 HETATM C C3' . HTG CP 35 . ? 55.758 -71.686 -76.915 1.00 130.09 ? 522 HTG C C3' 1 ? ? +52196 HETATM C C4' . HTG CP 35 . ? 55.111 -72.414 -75.749 1.00 128.77 ? 522 HTG C C4' 1 ? ? +52197 HETATM C C5' . HTG CP 35 . ? 55.897 -72.359 -74.449 1.00 127.04 ? 522 HTG C C5' 1 ? ? +52198 HETATM C C6' . HTG CP 35 . ? 55.237 -73.038 -73.266 1.00 124.76 ? 522 HTG C C6' 1 ? ? +52199 HETATM C C7' . HTG CP 35 . ? 55.937 -72.823 -71.939 1.00 121.39 ? 522 HTG C C7' 1 ? ? +52200 HETATM C C1 . BCR CQ 30 . ? 38.146 -80.895 -72.552 1.00 64.70 ? 102 BCR K C1 1 ? ? +52201 HETATM C C2 . BCR CQ 30 . ? 38.089 -80.088 -73.853 1.00 64.61 ? 102 BCR K C2 1 ? ? +52202 HETATM C C3 . BCR CQ 30 . ? 39.385 -79.445 -74.227 1.00 64.77 ? 102 BCR K C3 1 ? ? +52203 HETATM C C4 . BCR CQ 30 . ? 40.537 -80.446 -74.261 1.00 65.52 ? 102 BCR K C4 1 ? ? +52204 HETATM C C5 . BCR CQ 30 . ? 40.600 -81.319 -73.040 1.00 65.62 ? 102 BCR K C5 1 ? ? +52205 HETATM C C6 . BCR CQ 30 . ? 39.519 -81.485 -72.244 1.00 65.19 ? 102 BCR K C6 1 ? ? +52206 HETATM C C7 . BCR CQ 30 . ? 39.552 -82.302 -71.051 1.00 65.24 ? 102 BCR K C7 1 ? ? +52207 HETATM C C8 . BCR CQ 30 . ? 40.503 -82.311 -70.076 1.00 65.19 ? 102 BCR K C8 1 ? ? +52208 HETATM C C9 . BCR CQ 30 . ? 40.465 -83.085 -68.924 1.00 65.23 ? 102 BCR K C9 1 ? ? +52209 HETATM C C10 . BCR CQ 30 . ? 41.017 -82.583 -67.733 1.00 64.85 ? 102 BCR K C10 1 ? ? +52210 HETATM C C11 . BCR CQ 30 . ? 40.952 -83.094 -66.451 1.00 64.86 ? 102 BCR K C11 1 ? ? +52211 HETATM C C33 . BCR CQ 30 . ? 41.949 -81.961 -72.841 1.00 66.24 ? 102 BCR K C33 1 ? ? +52212 HETATM C C31 . BCR CQ 30 . ? 37.068 -81.988 -72.641 1.00 64.99 ? 102 BCR K C31 1 ? ? +52213 HETATM C C32 . BCR CQ 30 . ? 37.748 -79.953 -71.408 1.00 63.97 ? 102 BCR K C32 1 ? ? +52214 HETATM C C34 . BCR CQ 30 . ? 39.912 -84.467 -68.923 1.00 65.73 ? 102 BCR K C34 1 ? ? +52215 HETATM C C12 . BCR CQ 30 . ? 41.317 -82.435 -65.293 1.00 64.45 ? 102 BCR K C12 1 ? ? +52216 HETATM C C13 . BCR CQ 30 . ? 41.242 -82.852 -63.947 1.00 64.40 ? 102 BCR K C13 1 ? ? +52217 HETATM C C14 . BCR CQ 30 . ? 41.598 -81.993 -62.890 1.00 63.95 ? 102 BCR K C14 1 ? ? +52218 HETATM C C15 . BCR CQ 30 . ? 41.626 -82.225 -61.526 1.00 63.90 ? 102 BCR K C15 1 ? ? +52219 HETATM C C16 . BCR CQ 30 . ? 41.889 -81.344 -60.481 1.00 63.40 ? 102 BCR K C16 1 ? ? +52220 HETATM C C17 . BCR CQ 30 . ? 41.842 -81.571 -59.119 1.00 63.26 ? 102 BCR K C17 1 ? ? +52221 HETATM C C18 . BCR CQ 30 . ? 41.929 -80.667 -58.045 1.00 62.67 ? 102 BCR K C18 1 ? ? +52222 HETATM C C19 . BCR CQ 30 . ? 41.736 -81.109 -56.710 1.00 62.61 ? 102 BCR K C19 1 ? ? +52223 HETATM C C20 . BCR CQ 30 . ? 41.571 -80.387 -55.543 1.00 62.05 ? 102 BCR K C20 1 ? ? +52224 HETATM C C21 . BCR CQ 30 . ? 41.358 -80.896 -54.271 1.00 62.09 ? 102 BCR K C21 1 ? ? +52225 HETATM C C22 . BCR CQ 30 . ? 41.025 -80.206 -53.090 1.00 61.57 ? 102 BCR K C22 1 ? ? +52226 HETATM C C23 . BCR CQ 30 . ? 40.776 -80.862 -51.885 1.00 61.81 ? 102 BCR K C23 1 ? ? +52227 HETATM C C24 . BCR CQ 30 . ? 40.065 -80.339 -50.842 1.00 61.36 ? 102 BCR K C24 1 ? ? +52228 HETATM C C25 . BCR CQ 30 . ? 39.837 -80.914 -49.529 1.00 61.61 ? 102 BCR K C25 1 ? ? +52229 HETATM C C26 . BCR CQ 30 . ? 40.756 -81.689 -48.913 1.00 62.27 ? 102 BCR K C26 1 ? ? +52230 HETATM C C27 . BCR CQ 30 . ? 40.458 -82.383 -47.615 1.00 62.54 ? 102 BCR K C27 1 ? ? +52231 HETATM C C28 . BCR CQ 30 . ? 38.973 -82.547 -47.337 1.00 62.21 ? 102 BCR K C28 1 ? ? +52232 HETATM C C29 . BCR CQ 30 . ? 38.248 -81.266 -47.565 1.00 61.36 ? 102 BCR K C29 1 ? ? +52233 HETATM C C30 . BCR CQ 30 . ? 38.428 -80.706 -48.979 1.00 61.15 ? 102 BCR K C30 1 ? ? +52234 HETATM C C35 . BCR CQ 30 . ? 40.786 -84.234 -63.635 1.00 64.91 ? 102 BCR K C35 1 ? ? +52235 HETATM C C36 . BCR CQ 30 . ? 42.227 -79.231 -58.321 1.00 62.10 ? 102 BCR K C36 1 ? ? +52236 HETATM C C37 . BCR CQ 30 . ? 41.004 -78.721 -53.142 1.00 60.80 ? 102 BCR K C37 1 ? ? +52237 HETATM C C38 . BCR CQ 30 . ? 42.152 -81.953 -49.413 1.00 62.87 ? 102 BCR K C38 1 ? ? +52238 HETATM C C39 . BCR CQ 30 . ? 38.065 -79.211 -48.942 1.00 60.32 ? 102 BCR K C39 1 ? ? +52239 HETATM C C40 . BCR CQ 30 . ? 37.407 -81.416 -49.883 1.00 61.26 ? 102 BCR K C40 1 ? ? +52240 HETATM C C1B . LMT CR 37 . ? 49.820 2.319 23.953 1.00 134.19 ? 621 LMT b C1B 1 ? ? +52241 HETATM O O1B . LMT CR 37 . ? 50.731 2.445 22.885 1.00 135.95 ? 621 LMT b O1B 1 ? ? +52242 HETATM C C1' . LMT CR 37 . ? 51.599 2.513 19.010 1.00 121.44 ? 621 LMT b C1' 1 ? ? +52243 HETATM C C2' . LMT CR 37 . ? 50.611 3.447 19.710 1.00 124.95 ? 621 LMT b C2' 1 ? ? +52244 HETATM C C3' . LMT CR 37 . ? 49.683 2.694 20.700 1.00 128.07 ? 621 LMT b C3' 1 ? ? +52245 HETATM C C4' . LMT CR 37 . ? 50.446 1.763 21.651 1.00 131.99 ? 621 LMT b C4' 1 ? ? +52246 HETATM C C5' . LMT CR 37 . ? 51.767 1.298 21.040 1.00 131.38 ? 621 LMT b C5' 1 ? ? +52247 HETATM C C6' . LMT CR 37 . ? 52.206 -0.076 21.502 1.00 131.84 ? 621 LMT b C6' 1 ? ? +52248 HETATM O O1' . LMT CR 37 . ? 51.220 2.349 17.672 1.00 114.05 ? 621 LMT b O1' 1 ? ? +52249 HETATM O O2' . LMT CR 37 . ? 51.327 4.500 20.354 1.00 125.04 ? 621 LMT b O2' 1 ? ? +52250 HETATM O O3' . LMT CR 37 . ? 48.709 1.963 19.951 1.00 123.08 ? 621 LMT b O3' 1 ? ? +52251 HETATM O O5' . LMT CR 37 . ? 51.617 1.233 19.613 1.00 125.78 ? 621 LMT b O5' 1 ? ? +52252 HETATM O O6' . LMT CR 37 . ? 52.469 -0.938 20.398 1.00 131.46 ? 621 LMT b O6' 1 ? ? +52253 HETATM C C1 . LMT CR 37 . ? 52.191 2.756 16.691 1.00 106.58 ? 621 LMT b C1 1 ? ? +52254 HETATM C C2 . LMT CR 37 . ? 51.398 3.112 15.479 1.00 103.05 ? 621 LMT b C2 1 ? ? +52255 HETATM C C3 . LMT CR 37 . ? 52.218 3.545 14.294 1.00 99.79 ? 621 LMT b C3 1 ? ? +52256 HETATM C C4 . LMT CR 37 . ? 51.372 4.267 13.267 1.00 97.52 ? 621 LMT b C4 1 ? ? +52257 HETATM C C5 . LMT CR 37 . ? 51.936 4.320 11.867 1.00 95.48 ? 621 LMT b C5 1 ? ? +52258 HETATM C C6 . LMT CR 37 . ? 51.469 5.518 11.076 1.00 93.36 ? 621 LMT b C6 1 ? ? +52259 HETATM C C7 . LMT CR 37 . ? 52.120 5.685 9.727 1.00 92.45 ? 621 LMT b C7 1 ? ? +52260 HETATM C C8 . LMT CR 37 . ? 52.184 7.118 9.261 1.00 92.30 ? 621 LMT b C8 1 ? ? +52261 HETATM C C9 . LMT CR 37 . ? 52.899 7.329 7.945 1.00 91.94 ? 621 LMT b C9 1 ? ? +52262 HETATM C C10 . LMT CR 37 . ? 53.530 8.701 7.790 1.00 92.32 ? 621 LMT b C10 1 ? ? +52263 HETATM C C11 . LMT CR 37 . ? 53.132 9.440 6.530 1.00 91.36 ? 621 LMT b C11 1 ? ? +52264 HETATM C C12 . LMT CR 37 . ? 53.608 10.877 6.485 1.00 91.22 ? 621 LMT b C12 1 ? ? +52265 HETATM C C1A A DGD CS 36 . ? 4.307 37.235 12.721 0.40 75.31 ? 518 DGD c C1A 1 ? ? +52266 HETATM C C1A B DGD CS 36 . ? 4.415 37.186 12.612 0.60 81.58 ? 518 DGD c C1A 1 ? ? +52267 HETATM C C2A A DGD CS 36 . ? 5.612 37.278 13.469 0.40 77.62 ? 518 DGD c C2A 1 ? ? +52268 HETATM C C2A B DGD CS 36 . ? 5.684 37.281 13.412 0.60 85.87 ? 518 DGD c C2A 1 ? ? +52269 HETATM C C3A A DGD CS 36 . ? 5.597 36.217 14.561 0.40 79.75 ? 518 DGD c C3A 1 ? ? +52270 HETATM C C3A B DGD CS 36 . ? 5.688 36.232 14.516 0.60 90.39 ? 518 DGD c C3A 1 ? ? +52271 HETATM C C4A A DGD CS 36 . ? 6.262 34.931 14.089 0.40 81.59 ? 518 DGD c C4A 1 ? ? +52272 HETATM C C4A B DGD CS 36 . ? 6.271 34.923 14.001 0.60 95.14 ? 518 DGD c C4A 1 ? ? +52273 HETATM C C5A A DGD CS 36 . ? 6.088 33.836 15.136 0.40 84.26 ? 518 DGD c C5A 1 ? ? +52274 HETATM C C5A B DGD CS 36 . ? 6.157 33.850 15.077 0.60 101.46 ? 518 DGD c C5A 1 ? ? +52275 HETATM C C6A A DGD CS 36 . ? 6.553 32.472 14.629 0.40 86.30 ? 518 DGD c C6A 1 ? ? +52276 HETATM C C6A B DGD CS 36 . ? 6.549 32.461 14.569 0.60 107.19 ? 518 DGD c C6A 1 ? ? +52277 HETATM C C7A A DGD CS 36 . ? 5.571 31.391 15.074 0.40 89.06 ? 518 DGD c C7A 1 ? ? +52278 HETATM C C7A B DGD CS 36 . ? 5.560 31.399 15.063 0.60 114.11 ? 518 DGD c C7A 1 ? ? +52279 HETATM C C8A A DGD CS 36 . ? 6.285 30.094 15.441 0.40 91.58 ? 518 DGD c C8A 1 ? ? +52280 HETATM C C8A B DGD CS 36 . ? 6.236 30.074 15.413 0.60 120.62 ? 518 DGD c C8A 1 ? ? +52281 HETATM C C9A A DGD CS 36 . ? 5.851 29.611 16.825 0.40 94.70 ? 518 DGD c C9A 1 ? ? +52282 HETATM C C9A B DGD CS 36 . ? 5.843 29.596 16.813 0.60 127.58 ? 518 DGD c C9A 1 ? ? +52283 HETATM C CAA A DGD CS 36 . ? 6.635 28.372 17.255 0.40 96.68 ? 518 DGD c CAA 1 ? ? +52284 HETATM C CAA B DGD CS 36 . ? 6.661 28.375 17.236 0.60 132.61 ? 518 DGD c CAA 1 ? ? +52285 HETATM C CBA A DGD CS 36 . ? 7.983 28.749 17.858 0.40 98.88 ? 518 DGD c CBA 1 ? ? +52286 HETATM C CBA B DGD CS 36 . ? 8.033 28.749 17.808 0.60 137.31 ? 518 DGD c CBA 1 ? ? +52287 HETATM C CCA A DGD CS 36 . ? 9.125 28.351 16.925 0.40 100.08 ? 518 DGD c CCA 1 ? ? +52288 HETATM C CCA B DGD CS 36 . ? 9.188 28.369 16.872 0.60 140.01 ? 518 DGD c CCA 1 ? ? +52289 HETATM C CDA A DGD CS 36 . ? 9.731 29.571 16.234 0.40 100.72 ? 518 DGD c CDA 1 ? ? +52290 HETATM C CDA B DGD CS 36 . ? 9.784 29.572 16.132 0.60 140.06 ? 518 DGD c CDA 1 ? ? +52291 HETATM C CEA A DGD CS 36 . ? 9.885 29.327 14.735 0.40 100.34 ? 518 DGD c CEA 1 ? ? +52292 HETATM C CEA B DGD CS 36 . ? 9.773 29.364 14.616 0.60 138.75 ? 518 DGD c CEA 1 ? ? +52293 HETATM C CFA A DGD CS 36 . ? 10.199 30.617 13.986 0.40 100.37 ? 518 DGD c CFA 1 ? ? +52294 HETATM C CFA B DGD CS 36 . ? 10.195 30.624 13.862 0.60 137.51 ? 518 DGD c CFA 1 ? ? +52295 HETATM C CGA A DGD CS 36 . ? 11.573 30.522 13.329 0.40 99.30 ? 518 DGD c CGA 1 ? ? +52296 HETATM C CGA B DGD CS 36 . ? 11.630 30.514 13.351 0.60 134.41 ? 518 DGD c CGA 1 ? ? +52297 HETATM O O1A A DGD CS 36 . ? 3.455 36.407 13.003 0.40 75.08 ? 518 DGD c O1A 1 ? ? +52298 HETATM O O1A B DGD CS 36 . ? 3.663 36.232 12.743 0.60 80.97 ? 518 DGD c O1A 1 ? ? +52299 HETATM C C1B A DGD CS 36 . ? 0.360 37.692 13.267 0.40 68.97 ? 518 DGD c C1B 1 ? ? +52300 HETATM C C1B B DGD CS 36 . ? 0.276 37.717 13.231 0.60 70.83 ? 518 DGD c C1B 1 ? ? +52301 HETATM C C2B A DGD CS 36 . ? -0.013 37.147 14.615 0.40 69.05 ? 518 DGD c C2B 1 ? ? +52302 HETATM C C2B B DGD CS 36 . ? -0.032 37.141 14.584 0.60 70.88 ? 518 DGD c C2B 1 ? ? +52303 HETATM C C3B A DGD CS 36 . ? -0.928 35.955 14.403 0.40 68.52 ? 518 DGD c C3B 1 ? ? +52304 HETATM C C3B B DGD CS 36 . ? -0.937 35.928 14.422 0.60 70.40 ? 518 DGD c C3B 1 ? ? +52305 HETATM C C4B A DGD CS 36 . ? -0.268 34.695 14.911 0.40 68.13 ? 518 DGD c C4B 1 ? ? +52306 HETATM C C4B B DGD CS 36 . ? -0.263 34.655 14.888 0.60 70.07 ? 518 DGD c C4B 1 ? ? +52307 HETATM C C5B A DGD CS 36 . ? -1.261 33.905 15.740 0.40 68.11 ? 518 DGD c C5B 1 ? ? +52308 HETATM C C5B B DGD CS 36 . ? -1.213 33.839 15.749 0.60 70.09 ? 518 DGD c C5B 1 ? ? +52309 HETATM C C6B A DGD CS 36 . ? -2.399 33.414 14.855 0.40 67.68 ? 518 DGD c C6B 1 ? ? +52310 HETATM C C6B B DGD CS 36 . ? -2.402 33.325 14.945 0.60 69.76 ? 518 DGD c C6B 1 ? ? +52311 HETATM C C7B A DGD CS 36 . ? -1.905 32.427 13.810 0.40 66.79 ? 518 DGD c C7B 1 ? ? +52312 HETATM C C7B B DGD CS 36 . ? -1.964 32.389 13.834 0.60 68.85 ? 518 DGD c C7B 1 ? ? +52313 HETATM C C8B A DGD CS 36 . ? -3.040 31.520 13.356 0.40 66.36 ? 518 DGD c C8B 1 ? ? +52314 HETATM C C8B B DGD CS 36 . ? -3.132 31.551 13.345 0.60 68.45 ? 518 DGD c C8B 1 ? ? +52315 HETATM C C9B A DGD CS 36 . ? -2.689 30.889 12.018 0.40 65.63 ? 518 DGD c C9B 1 ? ? +52316 HETATM C C9B B DGD CS 36 . ? -2.725 30.878 12.049 0.60 67.74 ? 518 DGD c C9B 1 ? ? +52317 HETATM C CAB A DGD CS 36 . ? -3.368 29.541 11.847 0.40 65.16 ? 518 DGD c CAB 1 ? ? +52318 HETATM C CAB B DGD CS 36 . ? -3.425 29.545 11.874 0.60 67.30 ? 518 DGD c CAB 1 ? ? +52319 HETATM C CBB A DGD CS 36 . ? -2.808 28.852 10.609 0.40 64.43 ? 518 DGD c CBB 1 ? ? +52320 HETATM C CBB B DGD CS 36 . ? -2.899 28.899 10.601 0.60 66.58 ? 518 DGD c CBB 1 ? ? +52321 HETATM C CCB A DGD CS 36 . ? -2.968 27.340 10.697 0.40 63.93 ? 518 DGD c CCB 1 ? ? +52322 HETATM C CCB B DGD CS 36 . ? -2.885 27.376 10.698 0.60 65.98 ? 518 DGD c CCB 1 ? ? +52323 HETATM C CDB A DGD CS 36 . ? -2.187 26.644 9.590 0.40 63.21 ? 518 DGD c CDB 1 ? ? +52324 HETATM C CDB B DGD CS 36 . ? -2.108 26.737 9.547 0.60 65.14 ? 518 DGD c CDB 1 ? ? +52325 HETATM C CEB A DGD CS 36 . ? -0.838 27.320 9.397 0.40 63.16 ? 518 DGD c CEB 1 ? ? +52326 HETATM C CEB B DGD CS 36 . ? -0.742 27.392 9.376 0.60 64.95 ? 518 DGD c CEB 1 ? ? +52327 HETATM C CFB A DGD CS 36 . ? 0.104 26.463 8.564 0.40 62.49 ? 518 DGD c CFB 1 ? ? +52328 HETATM C CFB B DGD CS 36 . ? 0.234 26.506 8.622 0.60 64.18 ? 518 DGD c CFB 1 ? ? +52329 HETATM C CGB A DGD CS 36 . ? 1.447 27.169 8.417 0.40 62.59 ? 518 DGD c CGB 1 ? ? +52330 HETATM C CGB B DGD CS 36 . ? 1.597 27.187 8.519 0.60 64.24 ? 518 DGD c CGB 1 ? ? +52331 HETATM O O1B A DGD CS 36 . ? -0.424 37.668 12.340 0.40 68.68 ? 518 DGD c O1B 1 ? ? +52332 HETATM O O1B B DGD CS 36 . ? -0.568 37.753 12.359 0.60 70.52 ? 518 DGD c O1B 1 ? ? +52333 HETATM O O1G A DGD CS 36 . ? 4.044 38.180 11.651 0.40 72.81 ? 518 DGD c O1G 1 ? ? +52334 HETATM O O1G B DGD CS 36 . ? 4.071 38.242 11.674 0.60 77.31 ? 518 DGD c O1G 1 ? ? +52335 HETATM C C1G A DGD CS 36 . ? 2.794 38.125 10.956 0.40 70.72 ? 518 DGD c C1G 1 ? ? +52336 HETATM C C1G B DGD CS 36 . ? 2.839 38.196 10.939 0.60 74.00 ? 518 DGD c C1G 1 ? ? +52337 HETATM C C2G A DGD CS 36 . ? 1.741 38.857 11.773 0.40 69.97 ? 518 DGD c C2G 1 ? ? +52338 HETATM C C2G B DGD CS 36 . ? 1.736 38.890 11.726 0.60 72.39 ? 518 DGD c C2G 1 ? ? +52339 HETATM O O2G A DGD CS 36 . ? 1.666 38.257 13.054 0.40 69.50 ? 518 DGD c O2G 1 ? ? +52340 HETATM O O2G B DGD CS 36 . ? 1.595 38.238 12.979 0.60 71.56 ? 518 DGD c O2G 1 ? ? +52341 HETATM C C3G A DGD CS 36 . ? 2.142 40.312 11.945 0.40 69.92 ? 518 DGD c C3G 1 ? ? +52342 HETATM C C3G B DGD CS 36 . ? 2.089 40.344 11.991 0.60 72.02 ? 518 DGD c C3G 1 ? ? +52343 HETATM O O3G A DGD CS 36 . ? 2.578 40.843 10.698 0.40 69.00 ? 518 DGD c O3G 1 ? ? +52344 HETATM O O3G B DGD CS 36 . ? 2.554 40.980 10.799 0.60 70.77 ? 518 DGD c O3G 1 ? ? +52345 HETATM C C1D A DGD CS 36 . ? 1.481 41.379 9.964 0.40 68.31 ? 518 DGD c C1D 1 ? ? +52346 HETATM C C1D B DGD CS 36 . ? 1.503 41.469 9.965 0.60 69.62 ? 518 DGD c C1D 1 ? ? +52347 HETATM C C2D A DGD CS 36 . ? 1.965 42.526 9.092 0.40 68.35 ? 518 DGD c C2D 1 ? ? +52348 HETATM C C2D B DGD CS 36 . ? 2.059 42.514 9.017 0.60 69.48 ? 518 DGD c C2D 1 ? ? +52349 HETATM O O2D A DGD CS 36 . ? 2.288 43.625 9.947 0.40 69.10 ? 518 DGD c O2D 1 ? ? +52350 HETATM O O2D B DGD CS 36 . ? 2.489 43.639 9.777 0.60 70.28 ? 518 DGD c O2D 1 ? ? +52351 HETATM C C3D A DGD CS 36 . ? 0.909 42.978 8.099 0.40 68.12 ? 518 DGD c C3D 1 ? ? +52352 HETATM C C3D B DGD CS 36 . ? 1.000 42.964 8.030 0.60 69.10 ? 518 DGD c C3D 1 ? ? +52353 HETATM O O3D A DGD CS 36 . ? 1.526 43.805 7.111 0.40 68.31 ? 518 DGD c O3D 1 ? ? +52354 HETATM O O3D B DGD CS 36 . ? 1.620 43.775 7.031 0.60 69.30 ? 518 DGD c O3D 1 ? ? +52355 HETATM C C4D A DGD CS 36 . ? 0.254 41.798 7.408 0.40 67.24 ? 518 DGD c C4D 1 ? ? +52356 HETATM C C4D B DGD CS 36 . ? 0.343 41.772 7.364 0.60 68.13 ? 518 DGD c C4D 1 ? ? +52357 HETATM O O4D A DGD CS 36 . ? 1.208 41.190 6.535 0.40 66.80 ? 518 DGD c O4D 1 ? ? +52358 HETATM O O4D B DGD CS 36 . ? 1.309 41.122 6.533 0.60 67.77 ? 518 DGD c O4D 1 ? ? +52359 HETATM C C5D A DGD CS 36 . ? -0.209 40.771 8.422 0.40 66.91 ? 518 DGD c C5D 1 ? ? +52360 HETATM C C5D B DGD CS 36 . ? -0.156 40.785 8.404 0.60 67.78 ? 518 DGD c C5D 1 ? ? +52361 HETATM O O5D A DGD CS 36 . ? -1.788 39.939 6.791 0.40 65.55 ? 518 DGD c O5D 1 ? ? +52362 HETATM O O5D B DGD CS 36 . ? -1.748 39.836 6.835 0.60 66.04 ? 518 DGD c O5D 1 ? ? +52363 HETATM C C6D A DGD CS 36 . ? -0.820 39.549 7.753 0.40 65.92 ? 518 DGD c C6D 1 ? ? +52364 HETATM C C6D B DGD CS 36 . ? -0.735 39.524 7.778 0.60 66.63 ? 518 DGD c C6D 1 ? ? +52365 HETATM O O6D A DGD CS 36 . ? 0.921 40.341 9.167 0.40 67.24 ? 518 DGD c O6D 1 ? ? +52366 HETATM O O6D B DGD CS 36 . ? 0.949 40.395 9.209 0.60 68.34 ? 518 DGD c O6D 1 ? ? +52367 HETATM C C1E A DGD CS 36 . ? -3.064 40.121 7.396 0.40 65.63 ? 518 DGD c C1E 1 ? ? +52368 HETATM C C1E B DGD CS 36 . ? -3.021 40.091 7.428 0.60 66.05 ? 518 DGD c C1E 1 ? ? +52369 HETATM C C2E A DGD CS 36 . ? -4.107 39.391 6.555 0.40 65.14 ? 518 DGD c C2E 1 ? ? +52370 HETATM C C2E B DGD CS 36 . ? -4.062 39.365 6.577 0.60 65.50 ? 518 DGD c C2E 1 ? ? +52371 HETATM O O2E A DGD CS 36 . ? -3.683 38.041 6.340 0.40 64.49 ? 518 DGD c O2E 1 ? ? +52372 HETATM O O2E B DGD CS 36 . ? -3.626 38.028 6.300 0.60 64.81 ? 518 DGD c O2E 1 ? ? +52373 HETATM C C3E A DGD CS 36 . ? -4.275 40.048 5.195 0.40 65.06 ? 518 DGD c C3E 1 ? ? +52374 HETATM C C3E B DGD CS 36 . ? -4.239 40.043 5.228 0.60 65.41 ? 518 DGD c C3E 1 ? ? +52375 HETATM O O3E A DGD CS 36 . ? -5.411 39.485 4.537 0.40 64.87 ? 518 DGD c O3E 1 ? ? +52376 HETATM O O3E B DGD CS 36 . ? -5.331 39.444 4.528 0.60 65.10 ? 518 DGD c O3E 1 ? ? +52377 HETATM C C4E A DGD CS 36 . ? -4.434 41.556 5.326 0.40 65.74 ? 518 DGD c C4E 1 ? ? +52378 HETATM C C4E B DGD CS 36 . ? -4.449 41.544 5.381 0.60 66.13 ? 518 DGD c C4E 1 ? ? +52379 HETATM O O4E A DGD CS 36 . ? -5.705 41.864 5.910 0.40 66.13 ? 518 DGD c O4E 1 ? ? +52380 HETATM O O4E B DGD CS 36 . ? -5.713 41.801 6.008 0.60 66.48 ? 518 DGD c O4E 1 ? ? +52381 HETATM C C5E A DGD CS 36 . ? -3.301 42.113 6.179 0.40 66.04 ? 518 DGD c C5E 1 ? ? +52382 HETATM C C5E B DGD CS 36 . ? -3.290 42.115 6.195 0.60 66.46 ? 518 DGD c C5E 1 ? ? +52383 HETATM O O6E A DGD CS 36 . ? -3.357 41.514 7.469 0.40 66.16 ? 518 DGD c O6E 1 ? ? +52384 HETATM O O6E B DGD CS 36 . ? -3.271 41.499 7.483 0.60 66.55 ? 518 DGD c O6E 1 ? ? +52385 HETATM C C6E A DGD CS 36 . ? -3.397 43.619 6.315 0.40 66.79 ? 518 DGD c C6E 1 ? ? +52386 HETATM C C6E B DGD CS 36 . ? -3.379 43.618 6.361 0.60 67.24 ? 518 DGD c C6E 1 ? ? +52387 HETATM O O5E A DGD CS 36 . ? -4.647 43.936 6.930 0.40 67.30 ? 518 DGD c O5E 1 ? ? +52388 HETATM O O5E B DGD CS 36 . ? -4.608 43.935 7.012 0.60 67.82 ? 518 DGD c O5E 1 ? ? +52389 HETATM C CHA . HEM CT 42 . ? 34.219 30.539 29.686 1.00 81.92 ? 101 HEM f CHA 1 ? ? +52390 HETATM C CHB . HEM CT 42 . ? 36.470 34.598 28.297 1.00 83.49 ? 101 HEM f CHB 1 ? ? +52391 HETATM C CHC . HEM CT 42 . ? 33.116 35.160 24.775 1.00 79.67 ? 101 HEM f CHC 1 ? ? +52392 HETATM C CHD . HEM CT 42 . ? 30.625 31.452 26.629 1.00 78.00 ? 101 HEM f CHD 1 ? ? +52393 HETATM C C1A . HEM CT 42 . ? 35.110 31.589 29.616 1.00 83.08 ? 101 HEM f C1A 1 ? ? +52394 HETATM C C2A . HEM CT 42 . ? 36.188 31.807 30.515 1.00 85.05 ? 101 HEM f C2A 1 ? ? +52395 HETATM C C3A . HEM CT 42 . ? 36.814 32.946 30.115 1.00 84.96 ? 101 HEM f C3A 1 ? ? +52396 HETATM C C4A . HEM CT 42 . ? 36.131 33.447 28.983 1.00 83.68 ? 101 HEM f C4A 1 ? ? +52397 HETATM C CMA . HEM CT 42 . ? 38.031 33.562 30.758 1.00 86.38 ? 101 HEM f CMA 1 ? ? +52398 HETATM C CAA . HEM CT 42 . ? 36.592 30.926 31.682 1.00 86.89 ? 101 HEM f CAA 1 ? ? +52399 HETATM C CBA . HEM CT 42 . ? 36.438 31.637 33.043 1.00 89.08 ? 101 HEM f CBA 1 ? ? +52400 HETATM C CGA . HEM CT 42 . ? 35.023 31.628 33.588 1.00 90.07 ? 101 HEM f CGA 1 ? ? +52401 HETATM O O1A . HEM CT 42 . ? 34.033 31.806 32.826 1.00 90.02 ? 101 HEM f O1A 1 ? ? +52402 HETATM O O2A . HEM CT 42 . ? 34.860 31.469 34.829 1.00 91.27 ? 101 HEM f O2A 1 ? ? +52403 HETATM C C1B . HEM CT 42 . ? 35.757 35.072 27.183 1.00 82.44 ? 101 HEM f C1B 1 ? ? +52404 HETATM C C2B . HEM CT 42 . ? 36.213 36.155 26.355 1.00 82.44 ? 101 HEM f C2B 1 ? ? +52405 HETATM C C3B . HEM CT 42 . ? 35.272 36.337 25.361 1.00 81.74 ? 101 HEM f C3B 1 ? ? +52406 HETATM C C4B . HEM CT 42 . ? 34.238 35.303 25.608 1.00 80.77 ? 101 HEM f C4B 1 ? ? +52407 HETATM C CMB . HEM CT 42 . ? 37.475 36.956 26.543 1.00 82.98 ? 101 HEM f CMB 1 ? ? +52408 HETATM C CAB . HEM CT 42 . ? 35.232 37.267 24.199 1.00 81.77 ? 101 HEM f CAB 1 ? ? +52409 HETATM C CBB . HEM CT 42 . ? 36.272 37.995 23.781 1.00 82.54 ? 101 HEM f CBB 1 ? ? +52410 HETATM C C1C . HEM CT 42 . ? 32.112 34.220 24.987 1.00 78.75 ? 101 HEM f C1C 1 ? ? +52411 HETATM C C2C . HEM CT 42 . ? 30.877 34.202 24.344 1.00 77.98 ? 101 HEM f C2C 1 ? ? +52412 HETATM C C3C . HEM CT 42 . ? 30.145 33.144 24.864 1.00 77.47 ? 101 HEM f C3C 1 ? ? +52413 HETATM C C4C . HEM CT 42 . ? 30.960 32.530 25.863 1.00 78.04 ? 101 HEM f C4C 1 ? ? +52414 HETATM C CMC . HEM CT 42 . ? 30.412 35.153 23.266 1.00 77.71 ? 101 HEM f CMC 1 ? ? +52415 HETATM C CAC . HEM CT 42 . ? 28.746 32.863 24.457 1.00 76.62 ? 101 HEM f CAC 1 ? ? +52416 HETATM C CBC . HEM CT 42 . ? 27.887 32.157 25.194 1.00 76.39 ? 101 HEM f CBC 1 ? ? +52417 HETATM C C1D . HEM CT 42 . ? 31.447 30.897 27.592 1.00 78.61 ? 101 HEM f C1D 1 ? ? +52418 HETATM C C2D . HEM CT 42 . ? 31.129 29.605 28.224 1.00 78.77 ? 101 HEM f C2D 1 ? ? +52419 HETATM C C3D . HEM CT 42 . ? 32.128 29.372 29.079 1.00 80.03 ? 101 HEM f C3D 1 ? ? +52420 HETATM C C4D . HEM CT 42 . ? 33.057 30.488 28.935 1.00 80.48 ? 101 HEM f C4D 1 ? ? +52421 HETATM C CMD . HEM CT 42 . ? 29.939 28.700 27.992 1.00 77.82 ? 101 HEM f CMD 1 ? ? +52422 HETATM C CAD . HEM CT 42 . ? 32.358 28.144 29.920 1.00 81.04 ? 101 HEM f CAD 1 ? ? +52423 HETATM C CBD . HEM CT 42 . ? 33.397 27.405 29.009 1.00 81.25 ? 101 HEM f CBD 1 ? ? +52424 HETATM C CGD . HEM CT 42 . ? 34.148 26.196 29.535 1.00 81.74 ? 101 HEM f CGD 1 ? ? +52425 HETATM O O1D . HEM CT 42 . ? 34.322 25.208 28.781 1.00 81.13 ? 101 HEM f O1D 1 ? ? +52426 HETATM O O2D . HEM CT 42 . ? 34.646 26.181 30.679 1.00 82.60 ? 101 HEM f O2D 1 ? ? +52427 HETATM N NA . HEM CT 42 . ? 35.074 32.617 28.701 1.00 82.51 ? 101 HEM f NA 1 ? ? +52428 HETATM N NB . HEM CT 42 . ? 34.582 34.594 26.720 1.00 81.20 ? 101 HEM f NB 1 ? ? +52429 HETATM N NC . HEM CT 42 . ? 32.138 33.211 25.924 1.00 78.87 ? 101 HEM f NC 1 ? ? +52430 HETATM N ND . HEM CT 42 . ? 32.596 31.375 28.054 1.00 79.61 ? 101 HEM f ND 1 ? ? +52431 HETATM FE FE . HEM CT 42 . ? 33.486 32.935 27.536 1.00 80.47 ? 101 HEM f FE 1 ? ? +52432 HETATM MG MG . CLA CU 33 . ? -23.755 -42.979 -27.760 1.00 53.49 ? 602 CLA B MG 1 ? ? +52433 HETATM C CHA . CLA CU 33 . ? -20.844 -42.870 -29.652 1.00 51.93 ? 602 CLA B CHA 1 ? ? +52434 HETATM C CHB . CLA CU 33 . ? -25.472 -41.871 -30.508 1.00 53.98 ? 602 CLA B CHB 1 ? ? +52435 HETATM C CHC . CLA CU 33 . ? -26.772 -44.364 -26.504 1.00 55.62 ? 602 CLA B CHC 1 ? ? +52436 HETATM C CHD . CLA CU 33 . ? -22.074 -45.394 -25.611 1.00 53.55 ? 602 CLA B CHD 1 ? ? +52437 HETATM N NA . CLA CU 33 . ? -23.275 -42.440 -29.643 1.00 53.10 ? 602 CLA B NA 1 ? ? +52438 HETATM C C1A . CLA CU 33 . ? -22.095 -42.336 -30.197 1.00 52.50 ? 602 CLA B C1A 1 ? ? +52439 HETATM C C2A . CLA CU 33 . ? -22.043 -41.482 -31.422 1.00 52.35 ? 602 CLA B C2A 1 ? ? +52440 HETATM C C3A . CLA CU 33 . ? -23.452 -40.948 -31.493 1.00 52.83 ? 602 CLA B C3A 1 ? ? +52441 HETATM C C4A . CLA CU 33 . ? -24.142 -41.831 -30.495 1.00 53.38 ? 602 CLA B C4A 1 ? ? +52442 HETATM C CMA . CLA CU 33 . ? -23.579 -39.480 -31.097 1.00 52.50 ? 602 CLA B CMA 1 ? ? +52443 HETATM C CAA . CLA CU 33 . ? -21.684 -42.323 -32.647 1.00 52.66 ? 602 CLA B CAA 1 ? ? +52444 HETATM C CBA . CLA CU 33 . ? -21.382 -41.491 -33.896 1.00 52.58 ? 602 CLA B CBA 1 ? ? +52445 HETATM C CGA . CLA CU 33 . ? -19.893 -41.241 -33.983 1.00 52.18 ? 602 CLA B CGA 1 ? ? +52446 HETATM O O1A . CLA CU 33 . ? -19.433 -40.150 -34.236 1.00 51.60 ? 602 CLA B O1A 1 ? ? +52447 HETATM O O2A . CLA CU 33 . ? -19.014 -42.345 -33.769 1.00 52.93 ? 602 CLA B O2A 1 ? ? +52448 HETATM N NB . CLA CU 33 . ? -25.722 -43.127 -28.404 1.00 54.52 ? 602 CLA B NB 1 ? ? +52449 HETATM C C1B . CLA CU 33 . ? -26.275 -42.545 -29.497 1.00 54.63 ? 602 CLA B C1B 1 ? ? +52450 HETATM C C2B . CLA CU 33 . ? -27.758 -42.707 -29.710 1.00 55.49 ? 602 CLA B C2B 1 ? ? +52451 HETATM C C3B . CLA CU 33 . ? -28.107 -43.450 -28.498 1.00 55.97 ? 602 CLA B C3B 1 ? ? +52452 HETATM C C4B . CLA CU 33 . ? -26.824 -43.625 -27.772 1.00 55.33 ? 602 CLA B C4B 1 ? ? +52453 HETATM C CMB . CLA CU 33 . ? -28.543 -42.170 -30.875 1.00 55.72 ? 602 CLA B CMB 1 ? ? +52454 HETATM C CAB . CLA CU 33 . ? -29.378 -44.028 -28.047 1.00 56.96 ? 602 CLA B CAB 1 ? ? +52455 HETATM C CBB . CLA CU 33 . ? -30.387 -44.155 -28.865 1.00 57.63 ? 602 CLA B CBB 1 ? ? +52456 HETATM N NC . CLA CU 33 . ? -24.261 -44.521 -26.456 1.00 54.28 ? 602 CLA B NC 1 ? ? +52457 HETATM C C1C . CLA CU 33 . ? -25.513 -44.849 -25.957 1.00 55.18 ? 602 CLA B C1C 1 ? ? +52458 HETATM C C2C . CLA CU 33 . ? -25.597 -45.915 -24.924 1.00 55.67 ? 602 CLA B C2C 1 ? ? +52459 HETATM C C3C . CLA CU 33 . ? -24.195 -46.194 -24.698 1.00 54.99 ? 602 CLA B C3C 1 ? ? +52460 HETATM C C4C . CLA CU 33 . ? -23.516 -45.278 -25.605 1.00 54.20 ? 602 CLA B C4C 1 ? ? +52461 HETATM C CMC . CLA CU 33 . ? -26.745 -46.545 -24.229 1.00 56.60 ? 602 CLA B CMC 1 ? ? +52462 HETATM C CAC . CLA CU 33 . ? -23.611 -47.134 -23.691 1.00 55.14 ? 602 CLA B CAC 1 ? ? +52463 HETATM C CBC . CLA CU 33 . ? -23.292 -46.277 -22.454 1.00 54.85 ? 602 CLA B CBC 1 ? ? +52464 HETATM N ND . CLA CU 33 . ? -22.070 -44.140 -27.807 1.00 53.01 ? 602 CLA B ND 1 ? ? +52465 HETATM C C1D . CLA CU 33 . ? -21.350 -44.747 -26.666 1.00 52.87 ? 602 CLA B C1D 1 ? ? +52466 HETATM C C2D . CLA CU 33 . ? -19.894 -44.834 -26.841 1.00 52.18 ? 602 CLA B C2D 1 ? ? +52467 HETATM C C3D . CLA CU 33 . ? -19.764 -44.046 -28.055 1.00 51.80 ? 602 CLA B C3D 1 ? ? +52468 HETATM C C4D . CLA CU 33 . ? -20.955 -43.592 -28.424 1.00 52.24 ? 602 CLA B C4D 1 ? ? +52469 HETATM C CMD . CLA CU 33 . ? -18.746 -45.447 -26.117 1.00 51.91 ? 602 CLA B CMD 1 ? ? +52470 HETATM C CAD . CLA CU 33 . ? -18.753 -43.524 -28.982 1.00 51.13 ? 602 CLA B CAD 1 ? ? +52471 HETATM O OBD . CLA CU 33 . ? -17.513 -43.693 -28.891 1.00 50.71 ? 602 CLA B OBD 1 ? ? +52472 HETATM C CBD . CLA CU 33 . ? -19.403 -42.720 -30.040 1.00 51.16 ? 602 CLA B CBD 1 ? ? +52473 HETATM C CGD . CLA CU 33 . ? -18.876 -41.327 -29.899 1.00 50.47 ? 602 CLA B CGD 1 ? ? +52474 HETATM O O1D . CLA CU 33 . ? -18.953 -40.682 -28.857 1.00 50.29 ? 602 CLA B O1D 1 ? ? +52475 HETATM O O2D . CLA CU 33 . ? -18.234 -40.689 -31.007 1.00 49.97 ? 602 CLA B O2D 1 ? ? +52476 HETATM C CED . CLA CU 33 . ? -18.073 -39.289 -30.866 1.00 49.56 ? 602 CLA B CED 1 ? ? +52477 HETATM C C1 . CLA CU 33 . ? -17.577 -42.118 -33.684 1.00 53.25 ? 602 CLA B C1 1 ? ? +52478 HETATM C C2 . CLA CU 33 . ? -16.985 -43.208 -32.813 1.00 54.05 ? 602 CLA B C2 1 ? ? +52479 HETATM C C3 . CLA CU 33 . ? -16.907 -44.464 -33.276 1.00 55.55 ? 602 CLA B C3 1 ? ? +52480 HETATM C C4 . CLA CU 33 . ? -17.339 -44.825 -34.668 1.00 55.79 ? 602 CLA B C4 1 ? ? +52481 HETATM C C5 . CLA CU 33 . ? -16.389 -45.550 -32.395 1.00 56.93 ? 602 CLA B C5 1 ? ? +52482 HETATM C C6 . CLA CU 33 . ? -15.095 -45.985 -33.022 1.00 57.85 ? 602 CLA B C6 1 ? ? +52483 HETATM C C7 . CLA CU 33 . ? -14.238 -46.623 -31.958 1.00 59.05 ? 602 CLA B C7 1 ? ? +52484 HETATM C C8 . CLA CU 33 . ? -13.147 -47.463 -32.586 1.00 59.90 ? 602 CLA B C8 1 ? ? +52485 HETATM C C9 . CLA CU 33 . ? -12.785 -47.356 -34.060 1.00 59.94 ? 602 CLA B C9 1 ? ? +52486 HETATM C C10 . CLA CU 33 . ? -12.376 -48.263 -31.564 1.00 60.79 ? 602 CLA B C10 1 ? ? +52487 HETATM C C11 . CLA CU 33 . ? -10.908 -48.425 -31.856 1.00 61.50 ? 602 CLA B C11 1 ? ? +52488 HETATM C C12 . CLA CU 33 . ? -10.111 -47.568 -30.902 1.00 61.36 ? 602 CLA B C12 1 ? ? +52489 HETATM C C13 . CLA CU 33 . ? -8.660 -47.971 -31.046 1.00 61.54 ? 602 CLA B C13 1 ? ? +52490 HETATM C C14 . CLA CU 33 . ? -8.047 -48.028 -29.666 1.00 61.97 ? 602 CLA B C14 1 ? ? +52491 HETATM C C15 . CLA CU 33 . ? -8.026 -46.903 -31.902 1.00 61.83 ? 602 CLA B C15 1 ? ? +52492 HETATM C C16 . CLA CU 33 . ? -6.617 -47.270 -32.290 1.00 62.37 ? 602 CLA B C16 1 ? ? +52493 HETATM C C17 . CLA CU 33 . ? -6.575 -47.551 -33.784 1.00 62.96 ? 602 CLA B C17 1 ? ? +52494 HETATM C C18 . CLA CU 33 . ? -5.627 -46.688 -34.563 1.00 62.33 ? 602 CLA B C18 1 ? ? +52495 HETATM C C19 . CLA CU 33 . ? -5.761 -46.635 -36.071 1.00 62.62 ? 602 CLA B C19 1 ? ? +52496 HETATM C C20 . CLA CU 33 . ? -4.708 -45.741 -33.843 1.00 63.34 ? 602 CLA B C20 1 ? ? +52497 HETATM C C1B . LMT CV 37 . ? -4.641 -70.552 -10.261 1.00 115.92 ? 628 LMT B C1B 1 ? ? +52498 HETATM C C2B . LMT CV 37 . ? -3.124 -70.671 -10.436 1.00 115.21 ? 628 LMT B C2B 1 ? ? +52499 HETATM C C3B . LMT CV 37 . ? -2.736 -71.809 -11.391 1.00 115.05 ? 628 LMT B C3B 1 ? ? +52500 HETATM C C4B . LMT CV 37 . ? -3.495 -73.096 -11.082 1.00 116.14 ? 628 LMT B C4B 1 ? ? +52501 HETATM C C5B . LMT CV 37 . ? -4.993 -72.833 -10.965 1.00 116.52 ? 628 LMT B C5B 1 ? ? +52502 HETATM C C6B . LMT CV 37 . ? -5.790 -74.058 -10.566 1.00 116.79 ? 628 LMT B C6B 1 ? ? +52503 HETATM O O1B . LMT CV 37 . ? -5.220 -70.009 -11.430 1.00 113.54 ? 628 LMT B O1B 1 ? ? +52504 HETATM O O2B . LMT CV 37 . ? -2.577 -69.436 -10.898 1.00 111.02 ? 628 LMT B O2B 1 ? ? +52505 HETATM O O3B . LMT CV 37 . ? -1.330 -72.050 -11.295 1.00 112.78 ? 628 LMT B O3B 1 ? ? +52506 HETATM O O4' . LMT CV 37 . ? -3.276 -74.036 -12.128 1.00 115.45 ? 628 LMT B O4' 1 ? ? +52507 HETATM O O5B . LMT CV 37 . ? -5.218 -71.827 -9.953 1.00 116.56 ? 628 LMT B O5B 1 ? ? +52508 HETATM O O6B . LMT CV 37 . ? -6.268 -74.766 -11.713 1.00 115.70 ? 628 LMT B O6B 1 ? ? +52509 HETATM C C1' . LMT CV 37 . ? -8.121 -67.286 -12.367 1.00 110.88 ? 628 LMT B C1' 1 ? ? +52510 HETATM C C2' . LMT CV 37 . ? -7.918 -67.406 -10.860 1.00 112.69 ? 628 LMT B C2' 1 ? ? +52511 HETATM C C3' . LMT CV 37 . ? -6.699 -68.300 -10.519 1.00 111.18 ? 628 LMT B C3' 1 ? ? +52512 HETATM C C4' . LMT CV 37 . ? -6.577 -69.535 -11.423 1.00 111.92 ? 628 LMT B C4' 1 ? ? +52513 HETATM C C5' . LMT CV 37 . ? -6.895 -69.215 -12.883 1.00 111.43 ? 628 LMT B C5' 1 ? ? +52514 HETATM C C6' . LMT CV 37 . ? -6.946 -70.415 -13.813 1.00 109.50 ? 628 LMT B C6' 1 ? ? +52515 HETATM O O1' . LMT CV 37 . ? -9.324 -66.625 -12.649 1.00 105.14 ? 628 LMT B O1' 1 ? ? +52516 HETATM O O2' . LMT CV 37 . ? -7.744 -66.107 -10.289 1.00 114.83 ? 628 LMT B O2' 1 ? ? +52517 HETATM O O3' . LMT CV 37 . ? -6.817 -68.698 -9.153 1.00 107.30 ? 628 LMT B O3' 1 ? ? +52518 HETATM O O5' . LMT CV 37 . ? -8.175 -68.574 -12.943 1.00 112.45 ? 628 LMT B O5' 1 ? ? +52519 HETATM O O6' . LMT CV 37 . ? -7.146 -71.652 -13.133 1.00 107.43 ? 628 LMT B O6' 1 ? ? +52520 HETATM C C1 . LMT CV 37 . ? -9.466 -66.259 -14.035 1.00 98.04 ? 628 LMT B C1 1 ? ? +52521 HETATM C C2 . LMT CV 37 . ? -9.818 -64.817 -14.133 1.00 93.11 ? 628 LMT B C2 1 ? ? +52522 HETATM C C3 . LMT CV 37 . ? -9.800 -64.312 -15.541 1.00 89.97 ? 628 LMT B C3 1 ? ? +52523 HETATM C C4 . LMT CV 37 . ? -11.087 -63.660 -15.946 1.00 89.16 ? 628 LMT B C4 1 ? ? +52524 HETATM C C5 . LMT CV 37 . ? -11.006 -62.929 -17.257 1.00 88.24 ? 628 LMT B C5 1 ? ? +52525 HETATM C C6 . LMT CV 37 . ? -12.199 -62.087 -17.572 1.00 87.66 ? 628 LMT B C6 1 ? ? +52526 HETATM C C7 . LMT CV 37 . ? -13.494 -62.861 -17.620 1.00 89.85 ? 628 LMT B C7 1 ? ? +52527 HETATM C C8 . LMT CV 37 . ? -14.298 -62.728 -18.895 1.00 90.78 ? 628 LMT B C8 1 ? ? +52528 HETATM C C9 . LMT CV 37 . ? -13.800 -61.704 -19.883 1.00 90.23 ? 628 LMT B C9 1 ? ? +52529 HETATM C C10 . LMT CV 37 . ? -14.835 -61.253 -20.877 1.00 91.81 ? 628 LMT B C10 1 ? ? +52530 HETATM C C11 . LMT CV 37 . ? -15.355 -62.332 -21.789 1.00 94.09 ? 628 LMT B C11 1 ? ? +52531 HETATM C C12 . LMT CV 37 . ? -15.802 -61.809 -23.137 1.00 93.92 ? 628 LMT B C12 1 ? ? +52532 HETATM C C1 A GOL CW 38 . ? 26.738 -44.822 -71.157 0.40 55.16 ? 523 GOL C C1 1 ? ? +52533 HETATM C C1 B GOL CW 38 . ? 26.752 -44.890 -71.249 0.60 49.79 ? 523 GOL C C1 1 ? ? +52534 HETATM O O1 A GOL CW 38 . ? 27.571 -45.500 -72.094 0.40 55.48 ? 523 GOL C O1 1 ? ? +52535 HETATM O O1 B GOL CW 38 . ? 27.552 -45.857 -71.922 0.60 50.18 ? 523 GOL C O1 1 ? ? +52536 HETATM C C2 A GOL CW 38 . ? 25.277 -45.179 -71.350 0.40 55.17 ? 523 GOL C C2 1 ? ? +52537 HETATM C C2 B GOL CW 38 . ? 25.273 -45.137 -71.490 0.60 49.74 ? 523 GOL C C2 1 ? ? +52538 HETATM O O2 A GOL CW 38 . ? 24.872 -44.882 -72.688 0.40 55.38 ? 523 GOL C O2 1 ? ? +52539 HETATM O O2 B GOL CW 38 . ? 24.900 -44.666 -72.787 0.60 49.99 ? 523 GOL C O2 1 ? ? +52540 HETATM C C3 A GOL CW 38 . ? 24.362 -44.479 -70.367 0.40 54.77 ? 523 GOL C C3 1 ? ? +52541 HETATM C C3 B GOL CW 38 . ? 24.384 -44.507 -70.437 0.60 49.27 ? 523 GOL C C3 1 ? ? +52542 HETATM O O3 A GOL CW 38 . ? 23.017 -44.944 -70.472 0.40 55.02 ? 523 GOL C O3 1 ? ? +52543 HETATM O O3 B GOL CW 38 . ? 23.052 -45.017 -70.499 0.60 49.34 ? 523 GOL C O3 1 ? ? +52544 HETATM O O1 A LHG CX 39 . ? 17.470 -39.931 -9.644 0.40 51.57 ? 101 LHG L O1 1 ? ? +52545 HETATM O O1 B LHG CX 39 . ? 17.500 -40.007 -9.614 0.60 52.30 ? 101 LHG L O1 1 ? ? +52546 HETATM C C1 A LHG CX 39 . ? 18.343 -40.758 -10.409 0.40 51.74 ? 101 LHG L C1 1 ? ? +52547 HETATM C C1 B LHG CX 39 . ? 18.344 -40.847 -10.399 0.60 52.50 ? 101 LHG L C1 1 ? ? +52548 HETATM C C2 A LHG CX 39 . ? 19.216 -41.623 -9.522 0.40 52.32 ? 101 LHG L C2 1 ? ? +52549 HETATM C C2 B LHG CX 39 . ? 19.323 -41.617 -9.535 0.60 53.11 ? 101 LHG L C2 1 ? ? +52550 HETATM O O2 A LHG CX 39 . ? 20.305 -40.863 -8.998 0.40 52.39 ? 101 LHG L O2 1 ? ? +52551 HETATM O O2 B LHG CX 39 . ? 20.465 -40.813 -9.241 0.60 53.08 ? 101 LHG L O2 1 ? ? +52552 HETATM C C3 A LHG CX 39 . ? 19.791 -42.820 -10.239 0.40 52.49 ? 101 LHG L C3 1 ? ? +52553 HETATM C C3 B LHG CX 39 . ? 19.829 -42.889 -10.172 0.60 53.29 ? 101 LHG L C3 1 ? ? +52554 HETATM O O3 A LHG CX 39 . ? 18.738 -43.763 -10.548 0.40 52.44 ? 101 LHG L O3 1 ? ? +52555 HETATM O O3 B LHG CX 39 . ? 18.743 -43.789 -10.495 0.60 53.12 ? 101 LHG L O3 1 ? ? +52556 HETATM P P A LHG CX 39 . ? 18.894 -44.678 -11.855 0.40 52.43 ? 101 LHG L P 1 ? ? +52557 HETATM P P B LHG CX 39 . ? 18.872 -44.670 -11.828 0.60 53.08 ? 101 LHG L P 1 ? ? +52558 HETATM O O4 A LHG CX 39 . ? 20.337 -45.059 -12.051 0.40 52.32 ? 101 LHG L O4 1 ? ? +52559 HETATM O O4 B LHG CX 39 . ? 20.293 -45.126 -12.031 0.60 52.85 ? 101 LHG L O4 1 ? ? +52560 HETATM O O5 A LHG CX 39 . ? 17.834 -45.744 -11.817 0.40 52.79 ? 101 LHG L O5 1 ? ? +52561 HETATM O O5 B LHG CX 39 . ? 17.754 -45.672 -11.877 0.60 53.50 ? 101 LHG L O5 1 ? ? +52562 HETATM O O6 A LHG CX 39 . ? 18.521 -43.654 -13.028 0.40 52.00 ? 101 LHG L O6 1 ? ? +52563 HETATM O O6 B LHG CX 39 . ? 18.544 -43.577 -12.948 0.60 52.68 ? 101 LHG L O6 1 ? ? +52564 HETATM C C4 A LHG CX 39 . ? 19.506 -43.407 -14.056 0.40 52.09 ? 101 LHG L C4 1 ? ? +52565 HETATM C C4 B LHG CX 39 . ? 19.527 -43.335 -13.972 0.60 52.93 ? 101 LHG L C4 1 ? ? +52566 HETATM C C5 A LHG CX 39 . ? 19.034 -42.279 -14.938 0.40 51.66 ? 101 LHG L C5 1 ? ? +52567 HETATM C C5 B LHG CX 39 . ? 19.016 -42.225 -14.850 0.60 52.49 ? 101 LHG L C5 1 ? ? +52568 HETATM C C6 A LHG CX 39 . ? 20.161 -41.609 -15.683 0.40 51.52 ? 101 LHG L C6 1 ? ? +52569 HETATM C C6 B LHG CX 39 . ? 20.116 -41.557 -15.633 0.60 52.37 ? 101 LHG L C6 1 ? ? +52570 HETATM O O7 A LHG CX 39 . ? 18.083 -42.882 -15.849 0.40 51.84 ? 101 LHG L O7 1 ? ? +52571 HETATM O O7 B LHG CX 39 . ? 18.047 -42.873 -15.707 0.60 52.80 ? 101 LHG L O7 1 ? ? +52572 HETATM C C7 A LHG CX 39 . ? 16.896 -42.279 -16.011 0.40 51.96 ? 101 LHG L C7 1 ? ? +52573 HETATM C C7 B LHG CX 39 . ? 16.884 -42.253 -15.967 0.60 53.11 ? 101 LHG L C7 1 ? ? +52574 HETATM O O9 A LHG CX 39 . ? 16.622 -41.199 -15.555 0.40 51.71 ? 101 LHG L O9 1 ? ? +52575 HETATM O O9 B LHG CX 39 . ? 16.586 -41.133 -15.635 0.60 52.66 ? 101 LHG L O9 1 ? ? +52576 HETATM C C8 A LHG CX 39 . ? 15.952 -43.142 -16.778 0.40 52.29 ? 101 LHG L C8 1 ? ? +52577 HETATM C C8 B LHG CX 39 . ? 15.992 -43.164 -16.735 0.60 53.64 ? 101 LHG L C8 1 ? ? +52578 HETATM C C9 A LHG CX 39 . ? 15.742 -42.674 -18.166 0.40 52.19 ? 101 LHG L C9 1 ? ? +52579 HETATM C C9 B LHG CX 39 . ? 15.796 -42.719 -18.126 0.60 53.71 ? 101 LHG L C9 1 ? ? +52580 HETATM C C10 A LHG CX 39 . ? 17.013 -42.749 -18.991 0.40 52.47 ? 101 LHG L C10 1 ? ? +52581 HETATM C C10 B LHG CX 39 . ? 17.076 -42.772 -18.936 0.60 54.19 ? 101 LHG L C10 1 ? ? +52582 HETATM O O8 A LHG CX 39 . ? 19.610 -40.635 -16.588 0.40 51.16 ? 101 LHG L O8 1 ? ? +52583 HETATM O O8 B LHG CX 39 . ? 19.549 -40.582 -16.529 0.60 52.07 ? 101 LHG L O8 1 ? ? +52584 HETATM C C23 A LHG CX 39 . ? 19.081 -39.558 -16.024 0.40 51.45 ? 101 LHG L C23 1 ? ? +52585 HETATM C C23 B LHG CX 39 . ? 19.103 -39.451 -15.992 0.60 52.66 ? 101 LHG L C23 1 ? ? +52586 HETATM O O10 A LHG CX 39 . ? 19.006 -39.411 -14.831 0.40 51.35 ? 101 LHG L O10 1 ? ? +52587 HETATM O O10 B LHG CX 39 . ? 19.071 -39.239 -14.805 0.60 52.33 ? 101 LHG L O10 1 ? ? +52588 HETATM C C24 A LHG CX 39 . ? 18.625 -38.582 -17.068 0.40 51.50 ? 101 LHG L C24 1 ? ? +52589 HETATM C C24 B LHG CX 39 . ? 18.673 -38.496 -17.064 0.60 53.10 ? 101 LHG L C24 1 ? ? +52590 HETATM C C11 A LHG CX 39 . ? 17.228 -41.540 -19.852 0.40 52.47 ? 101 LHG L C11 1 ? ? +52591 HETATM C C11 B LHG CX 39 . ? 17.219 -41.610 -19.866 0.60 54.47 ? 101 LHG L C11 1 ? ? +52592 HETATM C C12 A LHG CX 39 . ? 18.394 -41.652 -20.784 0.40 52.64 ? 101 LHG L C12 1 ? ? +52593 HETATM C C12 B LHG CX 39 . ? 18.474 -41.640 -20.677 0.60 54.81 ? 101 LHG L C12 1 ? ? +52594 HETATM C C13 A LHG CX 39 . ? 18.826 -40.339 -21.357 0.40 52.58 ? 101 LHG L C13 1 ? ? +52595 HETATM C C13 B LHG CX 39 . ? 18.917 -40.291 -21.143 0.60 55.04 ? 101 LHG L C13 1 ? ? +52596 HETATM C C14 A LHG CX 39 . ? 20.312 -40.188 -21.446 0.40 52.86 ? 101 LHG L C14 1 ? ? +52597 HETATM C C14 B LHG CX 39 . ? 20.375 -40.226 -21.474 0.60 55.50 ? 101 LHG L C14 1 ? ? +52598 HETATM C C15 A LHG CX 39 . ? 20.841 -40.313 -22.841 0.40 52.88 ? 101 LHG L C15 1 ? ? +52599 HETATM C C15 B LHG CX 39 . ? 20.673 -40.013 -22.930 0.60 55.49 ? 101 LHG L C15 1 ? ? +52600 HETATM C C16 A LHG CX 39 . ? 21.756 -39.196 -23.233 0.40 52.80 ? 101 LHG L C16 1 ? ? +52601 HETATM C C16 B LHG CX 39 . ? 21.716 -38.961 -23.155 0.60 55.64 ? 101 LHG L C16 1 ? ? +52602 HETATM C C17 A LHG CX 39 . ? 22.151 -39.225 -24.679 0.40 52.71 ? 101 LHG L C17 1 ? ? +52603 HETATM C C17 B LHG CX 39 . ? 22.406 -39.051 -24.484 0.60 55.73 ? 101 LHG L C17 1 ? ? +52604 HETATM C C18 A LHG CX 39 . ? 21.748 -38.004 -25.454 0.40 52.16 ? 101 LHG L C18 1 ? ? +52605 HETATM C C18 B LHG CX 39 . ? 21.821 -38.165 -25.550 0.60 55.06 ? 101 LHG L C18 1 ? ? +52606 HETATM C C19 A LHG CX 39 . ? 22.696 -37.659 -26.565 0.40 51.96 ? 101 LHG L C19 1 ? ? +52607 HETATM C C19 B LHG CX 39 . ? 22.793 -37.823 -26.643 0.60 54.79 ? 101 LHG L C19 1 ? ? +52608 HETATM C C20 A LHG CX 39 . ? 22.190 -38.036 -27.925 0.40 51.81 ? 101 LHG L C20 1 ? ? +52609 HETATM C C20 B LHG CX 39 . ? 22.263 -38.039 -28.026 0.60 54.60 ? 101 LHG L C20 1 ? ? +52610 HETATM C C21 A LHG CX 39 . ? 23.259 -38.264 -28.950 0.40 51.89 ? 101 LHG L C21 1 ? ? +52611 HETATM C C21 B LHG CX 39 . ? 23.327 -38.114 -29.075 0.60 54.72 ? 101 LHG L C21 1 ? ? +52612 HETATM C C22 A LHG CX 39 . ? 22.718 -38.234 -30.358 0.40 51.78 ? 101 LHG L C22 1 ? ? +52613 HETATM C C22 B LHG CX 39 . ? 22.774 -38.444 -30.437 0.60 54.72 ? 101 LHG L C22 1 ? ? +52614 HETATM C C25 A LHG CX 39 . ? 17.606 -37.614 -16.577 0.40 51.90 ? 101 LHG L C25 1 ? ? +52615 HETATM C C25 B LHG CX 39 . ? 17.630 -37.528 -16.622 0.60 53.94 ? 101 LHG L C25 1 ? ? +52616 HETATM C C26 A LHG CX 39 . ? 16.660 -37.169 -17.677 0.40 52.19 ? 101 LHG L C26 1 ? ? +52617 HETATM C C26 B LHG CX 39 . ? 16.699 -37.122 -17.756 0.60 54.69 ? 101 LHG L C26 1 ? ? +52618 HETATM C C27 A LHG CX 39 . ? 16.279 -35.715 -17.612 0.40 52.47 ? 101 LHG L C27 1 ? ? +52619 HETATM C C27 B LHG CX 39 . ? 16.294 -35.668 -17.757 0.60 55.34 ? 101 LHG L C27 1 ? ? +52620 HETATM C C28 A LHG CX 39 . ? 14.914 -35.470 -17.046 0.40 53.04 ? 101 LHG L C28 1 ? ? +52621 HETATM C C28 B LHG CX 39 . ? 14.897 -35.415 -17.283 0.60 56.25 ? 101 LHG L C28 1 ? ? +52622 HETATM C C29 A LHG CX 39 . ? 14.280 -34.207 -17.538 0.40 53.33 ? 101 LHG L C29 1 ? ? +52623 HETATM C C29 B LHG CX 39 . ? 14.385 -34.051 -17.631 0.60 57.03 ? 101 LHG L C29 1 ? ? +52624 HETATM C C30 A LHG CX 39 . ? 13.283 -33.601 -16.586 0.40 53.96 ? 101 LHG L C30 1 ? ? +52625 HETATM C C30 B LHG CX 39 . ? 13.332 -33.533 -16.686 0.60 58.26 ? 101 LHG L C30 1 ? ? +52626 HETATM C C31 A LHG CX 39 . ? 12.657 -32.347 -17.127 0.40 54.19 ? 101 LHG L C31 1 ? ? +52627 HETATM C C31 B LHG CX 39 . ? 12.629 -32.304 -17.194 0.60 58.94 ? 101 LHG L C31 1 ? ? +52628 HETATM C C32 A LHG CX 39 . ? 11.784 -31.583 -16.166 0.40 54.59 ? 101 LHG L C32 1 ? ? +52629 HETATM C C32 B LHG CX 39 . ? 11.812 -31.559 -16.165 0.60 59.61 ? 101 LHG L C32 1 ? ? +52630 HETATM C C33 A LHG CX 39 . ? 11.190 -30.356 -16.802 0.40 54.78 ? 101 LHG L C33 1 ? ? +52631 HETATM C C33 B LHG CX 39 . ? 11.423 -30.174 -16.617 0.60 60.16 ? 101 LHG L C33 1 ? ? +52632 HETATM C C34 A LHG CX 39 . ? 10.211 -29.600 -15.959 0.40 55.39 ? 101 LHG L C34 1 ? ? +52633 HETATM C C34 B LHG CX 39 . ? 10.201 -29.607 -15.958 0.60 61.15 ? 101 LHG L C34 1 ? ? +52634 HETATM C C35 A LHG CX 39 . ? 9.464 -28.555 -16.739 0.40 55.85 ? 101 LHG L C35 1 ? ? +52635 HETATM C C35 B LHG CX 39 . ? 9.459 -28.619 -16.815 0.60 62.22 ? 101 LHG L C35 1 ? ? +52636 HETATM C C36 A LHG CX 39 . ? 8.193 -28.079 -16.095 0.40 56.67 ? 101 LHG L C36 1 ? ? +52637 HETATM C C36 B LHG CX 39 . ? 8.163 -28.141 -16.218 0.60 63.70 ? 101 LHG L C36 1 ? ? +52638 HETATM C C37 A LHG CX 39 . ? 7.284 -27.382 -17.071 0.40 57.13 ? 101 LHG L C37 1 ? ? +52639 HETATM C C37 B LHG CX 39 . ? 7.270 -27.444 -17.210 0.60 64.82 ? 101 LHG L C37 1 ? ? +52640 HETATM C C38 A LHG CX 39 . ? 5.904 -27.073 -16.533 0.40 57.55 ? 101 LHG L C38 1 ? ? +52641 HETATM C C38 B LHG CX 39 . ? 5.885 -27.122 -16.685 0.60 65.49 ? 101 LHG L C38 1 ? ? +52642 HETATM C CHA A PHO CY 32 . ? 25.611 11.617 10.742 0.40 54.32 ? 414 PHO a CHA 1 ? ? +52643 HETATM C CHA B PHO CY 32 . ? 25.646 11.563 10.712 0.60 54.36 ? 414 PHO a CHA 1 ? ? +52644 HETATM C CHB A PHO CY 32 . ? 23.494 15.457 8.891 0.40 54.05 ? 414 PHO a CHB 1 ? ? +52645 HETATM C CHB B PHO CY 32 . ? 23.514 15.415 8.901 0.60 54.13 ? 414 PHO a CHB 1 ? ? +52646 HETATM C CHC A PHO CY 32 . ? 20.955 12.528 5.937 0.40 52.01 ? 414 PHO a CHC 1 ? ? +52647 HETATM C CHC B PHO CY 32 . ? 20.967 12.541 5.909 0.60 52.05 ? 414 PHO a CHC 1 ? ? +52648 HETATM C CHD A PHO CY 32 . ? 22.953 8.612 7.861 0.40 52.22 ? 414 PHO a CHD 1 ? ? +52649 HETATM C CHD B PHO CY 32 . ? 23.006 8.606 7.763 0.60 52.22 ? 414 PHO a CHD 1 ? ? +52650 HETATM N NA A PHO CY 32 . ? 24.441 13.322 9.606 0.40 53.96 ? 414 PHO a NA 1 ? ? +52651 HETATM N NA B PHO CY 32 . ? 24.475 13.274 9.584 0.60 54.03 ? 414 PHO a NA 1 ? ? +52652 HETATM C C1A A PHO CY 32 . ? 25.369 12.938 10.525 0.40 54.41 ? 414 PHO a C1A 1 ? ? +52653 HETATM C C1A B PHO CY 32 . ? 25.400 12.888 10.506 0.60 54.48 ? 414 PHO a C1A 1 ? ? +52654 HETATM C C2A A PHO CY 32 . ? 26.060 14.098 11.192 0.40 55.04 ? 414 PHO a C2A 1 ? ? +52655 HETATM C C2A B PHO CY 32 . ? 26.084 14.048 11.182 0.60 55.15 ? 414 PHO a C2A 1 ? ? +52656 HETATM C C3A A PHO CY 32 . ? 25.117 15.247 10.870 0.40 54.98 ? 414 PHO a C3A 1 ? ? +52657 HETATM C C3A B PHO CY 32 . ? 25.176 15.214 10.817 0.60 55.06 ? 414 PHO a C3A 1 ? ? +52658 HETATM C C4A A PHO CY 32 . ? 24.313 14.684 9.718 0.40 54.29 ? 414 PHO a C4A 1 ? ? +52659 HETATM C C4A B PHO CY 32 . ? 24.345 14.633 9.699 0.60 54.36 ? 414 PHO a C4A 1 ? ? +52660 HETATM C CMA A PHO CY 32 . ? 24.201 15.704 12.001 0.40 55.27 ? 414 PHO a CMA 1 ? ? +52661 HETATM C CMA B PHO CY 32 . ? 24.275 15.769 11.916 0.60 55.36 ? 414 PHO a CMA 1 ? ? +52662 HETATM C CAA A PHO CY 32 . ? 27.479 14.302 10.669 0.40 55.25 ? 414 PHO a CAA 1 ? ? +52663 HETATM C CAA B PHO CY 32 . ? 27.520 14.217 10.695 0.60 55.42 ? 414 PHO a CAA 1 ? ? +52664 HETATM C CBA A PHO CY 32 . ? 28.213 15.417 11.402 0.40 55.95 ? 414 PHO a CBA 1 ? ? +52665 HETATM C CBA B PHO CY 32 . ? 28.265 15.326 11.428 0.60 56.17 ? 414 PHO a CBA 1 ? ? +52666 HETATM C CGA A PHO CY 32 . ? 29.500 15.793 10.732 0.40 56.18 ? 414 PHO a CGA 1 ? ? +52667 HETATM C CGA B PHO CY 32 . ? 29.531 15.724 10.736 0.60 56.43 ? 414 PHO a CGA 1 ? ? +52668 HETATM O O1A A PHO CY 32 . ? 29.934 15.291 9.727 0.40 55.86 ? 414 PHO a O1A 1 ? ? +52669 HETATM O O1A B PHO CY 32 . ? 29.946 15.247 9.709 0.60 56.11 ? 414 PHO a O1A 1 ? ? +52670 HETATM O O2A A PHO CY 32 . ? 30.124 16.761 11.396 0.40 56.80 ? 414 PHO a O2A 1 ? ? +52671 HETATM O O2A B PHO CY 32 . ? 30.158 16.685 11.420 0.60 57.16 ? 414 PHO a O2A 1 ? ? +52672 HETATM N NB A PHO CY 32 . ? 22.376 13.725 7.558 0.40 53.01 ? 414 PHO a NB 1 ? ? +52673 HETATM N NB B PHO CY 32 . ? 22.396 13.717 7.532 0.60 53.07 ? 414 PHO a NB 1 ? ? +52674 HETATM C C1B A PHO CY 32 . ? 22.636 15.034 7.906 0.40 53.46 ? 414 PHO a C1B 1 ? ? +52675 HETATM C C1B B PHO CY 32 . ? 22.642 15.017 7.918 0.60 53.53 ? 414 PHO a C1B 1 ? ? +52676 HETATM C C2B A PHO CY 32 . ? 21.858 15.861 7.055 0.40 53.27 ? 414 PHO a C2B 1 ? ? +52677 HETATM C C2B B PHO CY 32 . ? 21.836 15.866 7.110 0.60 53.35 ? 414 PHO a C2B 1 ? ? +52678 HETATM C C3B A PHO CY 32 . ? 21.116 15.023 6.205 0.40 52.69 ? 414 PHO a C3B 1 ? ? +52679 HETATM C C3B B PHO CY 32 . ? 21.074 15.043 6.249 0.60 52.76 ? 414 PHO a C3B 1 ? ? +52680 HETATM C C4B A PHO CY 32 . ? 21.466 13.683 6.523 0.40 52.53 ? 414 PHO a C4B 1 ? ? +52681 HETATM C C4B B PHO CY 32 . ? 21.469 13.694 6.511 0.60 52.58 ? 414 PHO a C4B 1 ? ? +52682 HETATM C CMB A PHO CY 32 . ? 21.850 17.361 7.102 0.40 53.67 ? 414 PHO a CMB 1 ? ? +52683 HETATM C CMB B PHO CY 32 . ? 21.810 17.364 7.224 0.60 53.81 ? 414 PHO a CMB 1 ? ? +52684 HETATM C CAB A PHO CY 32 . ? 20.187 15.437 5.159 0.40 52.30 ? 414 PHO a CAB 1 ? ? +52685 HETATM C CAB B PHO CY 32 . ? 20.110 15.426 5.207 0.60 52.36 ? 414 PHO a CAB 1 ? ? +52686 HETATM C CBB A PHO CY 32 . ? 19.953 16.664 4.789 0.40 52.47 ? 414 PHO a CBB 1 ? ? +52687 HETATM C CBB B PHO CY 32 . ? 19.888 16.616 4.721 0.60 52.47 ? 414 PHO a CBB 1 ? ? +52688 HETATM N NC A PHO CY 32 . ? 22.222 10.782 7.075 0.40 52.22 ? 414 PHO a NC 1 ? ? +52689 HETATM N NC B PHO CY 32 . ? 22.280 10.780 6.976 0.60 52.21 ? 414 PHO a NC 1 ? ? +52690 HETATM C C1C A PHO CY 32 . ? 21.233 11.205 6.230 0.40 51.88 ? 414 PHO a C1C 1 ? ? +52691 HETATM C C1C B PHO CY 32 . ? 21.257 11.210 6.177 0.60 51.89 ? 414 PHO a C1C 1 ? ? +52692 HETATM C C2C A PHO CY 32 . ? 20.473 10.069 5.726 0.40 51.33 ? 414 PHO a C2C 1 ? ? +52693 HETATM C C2C B PHO CY 32 . ? 20.472 10.077 5.700 0.60 51.32 ? 414 PHO a C2C 1 ? ? +52694 HETATM C C3C A PHO CY 32 . ? 21.041 8.952 6.252 0.40 51.39 ? 414 PHO a C3C 1 ? ? +52695 HETATM C C3C B PHO CY 32 . ? 21.068 8.954 6.186 0.60 51.39 ? 414 PHO a C3C 1 ? ? +52696 HETATM C C4C A PHO CY 32 . ? 22.138 9.417 7.088 0.40 51.94 ? 414 PHO a C4C 1 ? ? +52697 HETATM C C4C B PHO CY 32 . ? 22.185 9.416 6.998 0.60 51.93 ? 414 PHO a C4C 1 ? ? +52698 HETATM C CMC A PHO CY 32 . ? 19.285 10.127 4.811 0.40 50.81 ? 414 PHO a CMC 1 ? ? +52699 HETATM C CMC B PHO CY 32 . ? 19.242 10.144 4.841 0.60 50.80 ? 414 PHO a CMC 1 ? ? +52700 HETATM C CAC A PHO CY 32 . ? 20.621 7.523 6.055 0.40 51.01 ? 414 PHO a CAC 1 ? ? +52701 HETATM C CAC B PHO CY 32 . ? 20.651 7.523 5.987 0.60 51.01 ? 414 PHO a CAC 1 ? ? +52702 HETATM C CBC A PHO CY 32 . ? 21.709 6.668 5.420 0.40 50.91 ? 414 PHO a CBC 1 ? ? +52703 HETATM C CBC B PHO CY 32 . ? 21.691 6.696 5.242 0.60 50.86 ? 414 PHO a CBC 1 ? ? +52704 HETATM N ND A PHO CY 32 . ? 24.054 10.397 9.038 0.40 53.18 ? 414 PHO a ND 1 ? ? +52705 HETATM N ND B PHO CY 32 . ? 24.107 10.369 8.978 0.60 53.21 ? 414 PHO a ND 1 ? ? +52706 HETATM C C1D A PHO CY 32 . ? 23.860 9.051 8.817 0.40 52.82 ? 414 PHO a C1D 1 ? ? +52707 HETATM C C1D B PHO CY 32 . ? 23.914 9.027 8.729 0.60 52.84 ? 414 PHO a C1D 1 ? ? +52708 HETATM C C2D A PHO CY 32 . ? 24.669 8.311 9.719 0.40 53.16 ? 414 PHO a C2D 1 ? ? +52709 HETATM C C2D B PHO CY 32 . ? 24.722 8.269 9.623 0.60 53.17 ? 414 PHO a C2D 1 ? ? +52710 HETATM C C3D A PHO CY 32 . ? 25.385 9.278 10.494 0.40 53.76 ? 414 PHO a C3D 1 ? ? +52711 HETATM C C3D B PHO CY 32 . ? 25.430 9.225 10.422 0.60 53.77 ? 414 PHO a C3D 1 ? ? +52712 HETATM C C4D A PHO CY 32 . ? 24.979 10.534 10.039 0.40 53.74 ? 414 PHO a C4D 1 ? ? +52713 HETATM C C4D B PHO CY 32 . ? 25.027 10.489 9.986 0.60 53.77 ? 414 PHO a C4D 1 ? ? +52714 HETATM C CMD A PHO CY 32 . ? 24.749 6.816 9.819 0.40 52.92 ? 414 PHO a CMD 1 ? ? +52715 HETATM C CMD B PHO CY 32 . ? 24.805 6.772 9.702 0.60 52.91 ? 414 PHO a CMD 1 ? ? +52716 HETATM C CAD A PHO CY 32 . ? 26.365 9.472 11.576 0.40 54.42 ? 414 PHO a CAD 1 ? ? +52717 HETATM C CAD B PHO CY 32 . ? 26.407 9.404 11.509 0.60 54.44 ? 414 PHO a CAD 1 ? ? +52718 HETATM O OBD A PHO CY 32 . ? 26.946 8.634 12.234 0.40 54.69 ? 414 PHO a OBD 1 ? ? +52719 HETATM O OBD B PHO CY 32 . ? 27.009 8.556 12.137 0.60 54.74 ? 414 PHO a OBD 1 ? ? +52720 HETATM C CBD A PHO CY 32 . ? 26.536 10.992 11.776 0.40 54.82 ? 414 PHO a CBD 1 ? ? +52721 HETATM C CBD B PHO CY 32 . ? 26.543 10.919 11.762 0.60 54.84 ? 414 PHO a CBD 1 ? ? +52722 HETATM C CGD A PHO CY 32 . ? 26.144 11.411 13.163 0.40 55.33 ? 414 PHO a CGD 1 ? ? +52723 HETATM C CGD B PHO CY 32 . ? 26.115 11.274 13.158 0.60 55.33 ? 414 PHO a CGD 1 ? ? +52724 HETATM O O1D A PHO CY 32 . ? 26.925 11.634 14.047 0.40 55.87 ? 414 PHO a O1D 1 ? ? +52725 HETATM O O1D B PHO CY 32 . ? 26.878 11.455 14.068 0.60 55.83 ? 414 PHO a O1D 1 ? ? +52726 HETATM O O2D A PHO CY 32 . ? 24.817 11.512 13.287 0.40 55.15 ? 414 PHO a O2D 1 ? ? +52727 HETATM O O2D B PHO CY 32 . ? 24.782 11.388 13.249 0.60 55.17 ? 414 PHO a O2D 1 ? ? +52728 HETATM C CED A PHO CY 32 . ? 24.316 11.904 14.589 0.40 55.59 ? 414 PHO a CED 1 ? ? +52729 HETATM C CED B PHO CY 32 . ? 24.232 11.771 14.534 0.60 55.58 ? 414 PHO a CED 1 ? ? +52730 HETATM C C1 A PHO CY 32 . ? 31.371 17.224 10.845 0.40 57.07 ? 414 PHO a C1 1 ? ? +52731 HETATM C C1 B PHO CY 32 . ? 31.397 17.196 10.892 0.60 57.36 ? 414 PHO a C1 1 ? ? +52732 HETATM C C2 A PHO CY 32 . ? 31.123 18.435 10.015 0.40 56.98 ? 414 PHO a C2 1 ? ? +52733 HETATM C C2 B PHO CY 32 . ? 31.105 18.357 10.003 0.60 57.19 ? 414 PHO a C2 1 ? ? +52734 HETATM C C3 A PHO CY 32 . ? 31.405 18.501 8.721 0.40 56.65 ? 414 PHO a C3 1 ? ? +52735 HETATM C C3 B PHO CY 32 . ? 31.511 18.482 8.746 0.60 56.89 ? 414 PHO a C3 1 ? ? +52736 HETATM C C4 A PHO CY 32 . ? 32.110 17.401 7.993 0.40 56.33 ? 414 PHO a C4 1 ? ? +52737 HETATM C C4 B PHO CY 32 . ? 32.405 17.484 8.075 0.60 56.68 ? 414 PHO a C4 1 ? ? +52738 HETATM C C5 A PHO CY 32 . ? 30.988 19.671 7.878 0.40 56.58 ? 414 PHO a C5 1 ? ? +52739 HETATM C C5 B PHO CY 32 . ? 31.076 19.641 7.891 0.60 56.80 ? 414 PHO a C5 1 ? ? +52740 HETATM C C6 A PHO CY 32 . ? 30.158 19.270 6.704 0.40 55.81 ? 414 PHO a C6 1 ? ? +52741 HETATM C C6 B PHO CY 32 . ? 30.244 19.229 6.719 0.60 56.04 ? 414 PHO a C6 1 ? ? +52742 HETATM C C7 A PHO CY 32 . ? 30.030 20.345 5.643 0.40 55.78 ? 414 PHO a C7 1 ? ? +52743 HETATM C C7 B PHO CY 32 . ? 30.005 20.337 5.712 0.60 55.99 ? 414 PHO a C7 1 ? ? +52744 HETATM C C8 A PHO CY 32 . ? 29.078 20.009 4.503 0.40 55.03 ? 414 PHO a C8 1 ? ? +52745 HETATM C C8 B PHO CY 32 . ? 29.071 19.973 4.559 0.60 55.22 ? 414 PHO a C8 1 ? ? +52746 HETATM C C9 A PHO CY 32 . ? 29.434 18.679 3.864 0.40 54.58 ? 414 PHO a C9 1 ? ? +52747 HETATM C C9 B PHO CY 32 . ? 29.471 18.653 3.924 0.60 54.78 ? 414 PHO a C9 1 ? ? +52748 HETATM C C10 A PHO CY 32 . ? 29.015 21.126 3.468 0.40 55.07 ? 414 PHO a C10 1 ? ? +52749 HETATM C C10 B PHO CY 32 . ? 28.979 21.076 3.505 0.60 55.23 ? 414 PHO a C10 1 ? ? +52750 HETATM C C11 A PHO CY 32 . ? 28.686 22.488 4.012 0.40 55.53 ? 414 PHO a C11 1 ? ? +52751 HETATM C C11 B PHO CY 32 . ? 28.660 22.454 4.014 0.60 55.69 ? 414 PHO a C11 1 ? ? +52752 HETATM C C12 A PHO CY 32 . ? 27.284 22.618 4.523 0.40 55.25 ? 414 PHO a C12 1 ? ? +52753 HETATM C C12 B PHO CY 32 . ? 27.289 22.597 4.592 0.60 55.43 ? 414 PHO a C12 1 ? ? +52754 HETATM C C13 A PHO CY 32 . ? 26.910 24.004 5.019 0.40 55.72 ? 414 PHO a C13 1 ? ? +52755 HETATM C C13 B PHO CY 32 . ? 26.929 24.004 5.033 0.60 55.90 ? 414 PHO a C13 1 ? ? +52756 HETATM C C14 A PHO CY 32 . ? 27.713 24.385 6.253 0.40 56.42 ? 414 PHO a C14 1 ? ? +52757 HETATM C C14 B PHO CY 32 . ? 27.743 24.422 6.248 0.60 56.61 ? 414 PHO a C14 1 ? ? +52758 HETATM C C15 A PHO CY 32 . ? 25.407 24.113 5.260 0.40 55.38 ? 414 PHO a C15 1 ? ? +52759 HETATM C C15 B PHO CY 32 . ? 25.428 24.136 5.277 0.60 55.58 ? 414 PHO a C15 1 ? ? +52760 HETATM C C16 A PHO CY 32 . ? 24.559 24.146 4.016 0.40 54.85 ? 414 PHO a C16 1 ? ? +52761 HETATM C C16 B PHO CY 32 . ? 24.573 24.195 4.039 0.60 55.06 ? 414 PHO a C16 1 ? ? +52762 HETATM C C17 A PHO CY 32 . ? 23.077 24.282 4.287 0.40 54.62 ? 414 PHO a C17 1 ? ? +52763 HETATM C C17 B PHO CY 32 . ? 23.089 24.282 4.331 0.60 54.82 ? 414 PHO a C17 1 ? ? +52764 HETATM C C18 A PHO CY 32 . ? 22.211 24.548 3.059 0.40 54.21 ? 414 PHO a C18 1 ? ? +52765 HETATM C C18 B PHO CY 32 . ? 22.199 24.568 3.126 0.60 54.43 ? 414 PHO a C18 1 ? ? +52766 HETATM C C19 A PHO CY 32 . ? 20.761 24.786 3.446 0.40 54.08 ? 414 PHO a C19 1 ? ? +52767 HETATM C C19 B PHO CY 32 . ? 20.757 24.796 3.545 0.60 54.32 ? 414 PHO a C19 1 ? ? +52768 HETATM C C20 A PHO CY 32 . ? 22.316 23.409 2.058 0.40 53.60 ? 414 PHO a C20 1 ? ? +52769 HETATM C C20 B PHO CY 32 . ? 22.283 23.446 2.102 0.60 53.84 ? 414 PHO a C20 1 ? ? +52770 HETATM C C1 . HTG CZ 35 . ? 36.965 -12.015 -41.444 1.00 93.69 ? 622 HTG b C1 1 ? ? +52771 HETATM S S1 . HTG CZ 35 . ? 38.586 -12.814 -41.124 1.00 88.12 ? 622 HTG b S1 1 ? ? +52772 HETATM C C2 . HTG CZ 35 . ? 36.862 -10.512 -41.074 1.00 90.81 ? 622 HTG b C2 1 ? ? +52773 HETATM O O2 . HTG CZ 35 . ? 36.890 -10.310 -39.663 1.00 83.04 ? 622 HTG b O2 1 ? ? +52774 HETATM C C3 . HTG CZ 35 . ? 35.554 -9.902 -41.579 1.00 91.91 ? 622 HTG b C3 1 ? ? +52775 HETATM O O3 . HTG CZ 35 . ? 35.622 -8.480 -41.471 1.00 88.19 ? 622 HTG b O3 1 ? ? +52776 HETATM C C4 . HTG CZ 35 . ? 35.231 -10.279 -43.020 1.00 94.88 ? 622 HTG b C4 1 ? ? +52777 HETATM O O4 . HTG CZ 35 . ? 33.870 -9.931 -43.285 1.00 93.81 ? 622 HTG b O4 1 ? ? +52778 HETATM C C5 . HTG CZ 35 . ? 35.442 -11.784 -43.284 1.00 97.29 ? 622 HTG b C5 1 ? ? +52779 HETATM O O5 . HTG CZ 35 . ? 36.747 -12.186 -42.837 1.00 98.50 ? 622 HTG b O5 1 ? ? +52780 HETATM C C6 . HTG CZ 35 . ? 35.387 -12.151 -44.760 1.00 100.02 ? 622 HTG b C6 1 ? ? +52781 HETATM O O6 . HTG CZ 35 . ? 35.589 -13.559 -44.966 1.00 99.87 ? 622 HTG b O6 1 ? ? +52782 HETATM C C1' . HTG CZ 35 . ? 38.070 -14.547 -40.859 1.00 86.28 ? 622 HTG b C1' 1 ? ? +52783 HETATM C C2' . HTG CZ 35 . ? 37.626 -14.831 -39.439 1.00 85.32 ? 622 HTG b C2' 1 ? ? +52784 HETATM C C3' . HTG CZ 35 . ? 38.665 -15.581 -38.635 1.00 85.80 ? 622 HTG b C3' 1 ? ? +52785 HETATM C C4' . HTG CZ 35 . ? 38.073 -16.522 -37.619 1.00 85.06 ? 622 HTG b C4' 1 ? ? +52786 HETATM C C5' . HTG CZ 35 . ? 38.396 -16.176 -36.195 1.00 85.57 ? 622 HTG b C5' 1 ? ? +52787 HETATM C C6' . HTG CZ 35 . ? 39.628 -16.861 -35.686 1.00 87.67 ? 622 HTG b C6' 1 ? ? +52788 HETATM C C7' . HTG CZ 35 . ? 40.005 -16.425 -34.294 1.00 88.60 ? 622 HTG b C7' 1 ? ? +52789 HETATM C C1A . DGD DA 36 . ? 10.942 34.920 7.206 1.00 68.42 ? 519 DGD c C1A 1 ? ? +52790 HETATM C C2A . DGD DA 36 . ? 11.403 33.540 6.866 1.00 69.47 ? 519 DGD c C2A 1 ? ? +52791 HETATM C C3A . DGD DA 36 . ? 10.931 32.628 7.982 1.00 71.03 ? 519 DGD c C3A 1 ? ? +52792 HETATM C C4A . DGD DA 36 . ? 11.788 31.370 8.024 1.00 72.34 ? 519 DGD c C4A 1 ? ? +52793 HETATM C C5A . DGD DA 36 . ? 11.067 30.286 8.818 1.00 73.61 ? 519 DGD c C5A 1 ? ? +52794 HETATM C C6A . DGD DA 36 . ? 11.794 28.953 8.694 1.00 74.10 ? 519 DGD c C6A 1 ? ? +52795 HETATM C C7A . DGD DA 36 . ? 10.833 27.813 8.971 1.00 74.68 ? 519 DGD c C7A 1 ? ? +52796 HETATM C C8A . DGD DA 36 . ? 11.537 26.486 8.789 1.00 75.28 ? 519 DGD c C8A 1 ? ? +52797 HETATM C C9A . DGD DA 36 . ? 10.846 25.407 9.613 1.00 76.54 ? 519 DGD c C9A 1 ? ? +52798 HETATM C CAA . DGD DA 36 . ? 11.356 24.019 9.233 1.00 77.99 ? 519 DGD c CAA 1 ? ? +52799 HETATM C CBA . DGD DA 36 . ? 12.849 23.888 9.552 1.00 80.22 ? 519 DGD c CBA 1 ? ? +52800 HETATM C CCA . DGD DA 36 . ? 13.273 22.422 9.605 1.00 81.27 ? 519 DGD c CCA 1 ? ? +52801 HETATM C CDA . DGD DA 36 . ? 14.575 22.244 10.384 1.00 81.93 ? 519 DGD c CDA 1 ? ? +52802 HETATM C CEA . DGD DA 36 . ? 14.521 20.985 11.247 1.00 82.18 ? 519 DGD c CEA 1 ? ? +52803 HETATM C CFA . DGD DA 36 . ? 15.886 20.705 11.896 1.00 83.55 ? 519 DGD c CFA 1 ? ? +52804 HETATM C CGA . DGD DA 36 . ? 15.811 20.399 13.401 1.00 82.74 ? 519 DGD c CGA 1 ? ? +52805 HETATM O O1A . DGD DA 36 . ? 11.733 35.760 7.611 1.00 69.23 ? 519 DGD c O1A 1 ? ? +52806 HETATM C C1B . DGD DA 36 . ? 5.908 35.862 8.040 1.00 66.76 ? 519 DGD c C1B 1 ? ? +52807 HETATM C C2B . DGD DA 36 . ? 5.422 35.783 9.452 1.00 68.94 ? 519 DGD c C2B 1 ? ? +52808 HETATM C C3B . DGD DA 36 . ? 4.241 34.845 9.612 1.00 70.53 ? 519 DGD c C3B 1 ? ? +52809 HETATM C C4B . DGD DA 36 . ? 4.596 33.397 9.364 1.00 72.00 ? 519 DGD c C4B 1 ? ? +52810 HETATM C C5B . DGD DA 36 . ? 5.806 32.890 10.142 1.00 74.43 ? 519 DGD c C5B 1 ? ? +52811 HETATM C C6B . DGD DA 36 . ? 5.689 31.374 10.135 1.00 77.24 ? 519 DGD c C6B 1 ? ? +52812 HETATM C C7B . DGD DA 36 . ? 6.815 30.608 10.810 1.00 81.63 ? 519 DGD c C7B 1 ? ? +52813 HETATM C C8B . DGD DA 36 . ? 6.481 29.120 10.680 1.00 86.17 ? 519 DGD c C8B 1 ? ? +52814 HETATM C C9B . DGD DA 36 . ? 7.344 28.217 11.563 1.00 91.73 ? 519 DGD c C9B 1 ? ? +52815 HETATM C CAB . DGD DA 36 . ? 6.624 26.896 11.854 1.00 95.53 ? 519 DGD c CAB 1 ? ? +52816 HETATM C CBB . DGD DA 36 . ? 7.195 26.191 13.086 1.00 100.04 ? 519 DGD c CBB 1 ? ? +52817 HETATM C CCB . DGD DA 36 . ? 6.162 25.228 13.677 1.00 103.61 ? 519 DGD c CCB 1 ? ? +52818 HETATM C CDB . DGD DA 36 . ? 6.520 24.786 15.098 1.00 107.59 ? 519 DGD c CDB 1 ? ? +52819 HETATM C CEB . DGD DA 36 . ? 5.387 25.088 16.087 1.00 111.34 ? 519 DGD c CEB 1 ? ? +52820 HETATM C CFB . DGD DA 36 . ? 5.532 24.366 17.435 1.00 114.11 ? 519 DGD c CFB 1 ? ? +52821 HETATM C CGB . DGD DA 36 . ? 6.685 24.877 18.311 1.00 115.49 ? 519 DGD c CGB 1 ? ? +52822 HETATM O O1B . DGD DA 36 . ? 5.259 35.524 7.088 1.00 65.01 ? 519 DGD c O1B 1 ? ? +52823 HETATM O O1G . DGD DA 36 . ? 9.542 35.230 7.067 1.00 66.11 ? 519 DGD c O1G 1 ? ? +52824 HETATM C C1G . DGD DA 36 . ? 9.203 36.503 6.576 1.00 65.58 ? 519 DGD c C1G 1 ? ? +52825 HETATM C C2G . DGD DA 36 . ? 7.698 36.547 6.521 1.00 65.11 ? 519 DGD c C2G 1 ? ? +52826 HETATM O O2G . DGD DA 36 . ? 7.241 36.373 7.856 1.00 66.44 ? 519 DGD c O2G 1 ? ? +52827 HETATM C C3G . DGD DA 36 . ? 7.227 37.893 5.999 1.00 64.50 ? 519 DGD c C3G 1 ? ? +52828 HETATM O O3G . DGD DA 36 . ? 7.882 38.107 4.758 1.00 63.06 ? 519 DGD c O3G 1 ? ? +52829 HETATM C C1D . DGD DA 36 . ? 7.468 39.305 4.140 1.00 62.49 ? 519 DGD c C1D 1 ? ? +52830 HETATM C C2D . DGD DA 36 . ? 8.496 39.540 3.078 1.00 62.01 ? 519 DGD c C2D 1 ? ? +52831 HETATM O O2D . DGD DA 36 . ? 9.669 39.803 3.797 1.00 62.35 ? 519 DGD c O2D 1 ? ? +52832 HETATM C C3D . DGD DA 36 . ? 8.159 40.745 2.251 1.00 62.18 ? 519 DGD c C3D 1 ? ? +52833 HETATM O O3D . DGD DA 36 . ? 9.116 40.825 1.202 1.00 62.05 ? 519 DGD c O3D 1 ? ? +52834 HETATM C C4D . DGD DA 36 . ? 6.748 40.603 1.711 1.00 61.82 ? 519 DGD c C4D 1 ? ? +52835 HETATM O O4D . DGD DA 36 . ? 6.748 39.490 0.823 1.00 61.08 ? 519 DGD c O4D 1 ? ? +52836 HETATM C C5D . DGD DA 36 . ? 5.771 40.353 2.856 1.00 61.86 ? 519 DGD c C5D 1 ? ? +52837 HETATM O O5D . DGD DA 36 . ? 3.963 40.948 1.334 1.00 61.31 ? 519 DGD c O5D 1 ? ? +52838 HETATM C C6D . DGD DA 36 . ? 4.321 40.127 2.436 1.00 61.43 ? 519 DGD c C6D 1 ? ? +52839 HETATM O O6D . DGD DA 36 . ? 6.184 39.175 3.546 1.00 61.91 ? 519 DGD c O6D 1 ? ? +52840 HETATM C C1E . DGD DA 36 . ? 2.674 41.548 1.412 1.00 61.36 ? 519 DGD c C1E 1 ? ? +52841 HETATM C C2E . DGD DA 36 . ? 2.506 42.384 0.152 1.00 61.51 ? 519 DGD c C2E 1 ? ? +52842 HETATM O O2E . DGD DA 36 . ? 2.806 41.599 -1.001 1.00 60.91 ? 519 DGD c O2E 1 ? ? +52843 HETATM C C3E . DGD DA 36 . ? 3.425 43.594 0.175 1.00 62.06 ? 519 DGD c C3E 1 ? ? +52844 HETATM O O3E . DGD DA 36 . ? 3.210 44.383 -0.990 1.00 62.29 ? 519 DGD c O3E 1 ? ? +52845 HETATM C C4E . DGD DA 36 . ? 3.132 44.411 1.414 1.00 62.69 ? 519 DGD c C4E 1 ? ? +52846 HETATM O O4E . DGD DA 36 . ? 1.780 44.825 1.364 1.00 63.06 ? 519 DGD c O4E 1 ? ? +52847 HETATM C C5E . DGD DA 36 . ? 3.327 43.537 2.638 1.00 62.46 ? 519 DGD c C5E 1 ? ? +52848 HETATM O O6E . DGD DA 36 . ? 2.517 42.358 2.585 1.00 61.87 ? 519 DGD c O6E 1 ? ? +52849 HETATM C C6E . DGD DA 36 . ? 3.006 44.304 3.907 1.00 63.10 ? 519 DGD c C6E 1 ? ? +52850 HETATM O O5E . DGD DA 36 . ? 2.748 43.310 4.904 1.00 62.88 ? 519 DGD c O5E 1 ? ? +52851 HETATM O O6 . SQD DB 29 . ? 46.461 22.031 29.162 1.00 144.67 ? 102 SQD f O6 1 ? ? +52852 HETATM C C44 . SQD DB 29 . ? 46.436 21.656 27.770 1.00 141.19 ? 102 SQD f C44 1 ? ? +52853 HETATM C C45 . SQD DB 29 . ? 46.289 22.863 26.855 1.00 139.23 ? 102 SQD f C45 1 ? ? +52854 HETATM C C46 . SQD DB 29 . ? 44.966 22.876 26.116 1.00 131.82 ? 102 SQD f C46 1 ? ? +52855 HETATM O O47 . SQD DB 29 . ? 46.445 24.054 27.684 1.00 143.48 ? 102 SQD f O47 1 ? ? +52856 HETATM C C7 . SQD DB 29 . ? 46.938 25.208 27.180 1.00 145.47 ? 102 SQD f C7 1 ? ? +52857 HETATM O O49 . SQD DB 29 . ? 47.076 26.133 27.930 1.00 144.79 ? 102 SQD f O49 1 ? ? +52858 HETATM C C8 . SQD DB 29 . ? 47.311 25.352 25.718 1.00 145.41 ? 102 SQD f C8 1 ? ? +52859 HETATM C C9 . SQD DB 29 . ? 48.102 26.610 25.418 1.00 145.16 ? 102 SQD f C9 1 ? ? +52860 HETATM C C10 . SQD DB 29 . ? 48.178 26.939 23.929 1.00 141.90 ? 102 SQD f C10 1 ? ? +52861 HETATM C C11 . SQD DB 29 . ? 49.379 27.770 23.525 1.00 138.83 ? 102 SQD f C11 1 ? ? +52862 HETATM O O48 . SQD DB 29 . ? 45.217 22.772 24.695 1.00 127.79 ? 102 SQD f O48 1 ? ? +52863 HETATM C C23 . SQD DB 29 . ? 44.554 23.607 23.895 1.00 127.45 ? 102 SQD f C23 1 ? ? +52864 HETATM O O10 . SQD DB 29 . ? 43.752 24.413 24.289 1.00 129.63 ? 102 SQD f O10 1 ? ? +52865 HETATM C C24 . SQD DB 29 . ? 44.946 23.434 22.452 1.00 126.60 ? 102 SQD f C24 1 ? ? +52866 HETATM C C25 . SQD DB 29 . ? 43.781 23.420 21.507 1.00 126.74 ? 102 SQD f C25 1 ? ? +52867 HETATM C C26 . SQD DB 29 . ? 44.094 24.071 20.169 1.00 127.76 ? 102 SQD f C26 1 ? ? +52868 HETATM C C27 . SQD DB 29 . ? 45.115 23.332 19.335 1.00 130.06 ? 102 SQD f C27 1 ? ? +52869 HETATM C C28 . SQD DB 29 . ? 46.249 24.197 18.829 1.00 132.05 ? 102 SQD f C28 1 ? ? +52870 HETATM C C29 . SQD DB 29 . ? 45.906 25.016 17.608 1.00 130.46 ? 102 SQD f C29 1 ? ? +52871 HETATM C C30 . SQD DB 29 . ? 47.078 25.755 17.008 1.00 130.15 ? 102 SQD f C30 1 ? ? +52872 HETATM C C31 . SQD DB 29 . ? 46.908 26.078 15.545 1.00 129.13 ? 102 SQD f C31 1 ? ? +52873 HETATM C C32 . SQD DB 29 . ? 47.973 26.989 14.978 1.00 129.20 ? 102 SQD f C32 1 ? ? +52874 HETATM C C33 . SQD DB 29 . ? 47.961 27.098 13.470 1.00 128.16 ? 102 SQD f C33 1 ? ? +52875 HETATM C C34 . SQD DB 29 . ? 46.678 27.646 12.886 1.00 126.59 ? 102 SQD f C34 1 ? ? +52876 HETATM C C35 . SQD DB 29 . ? 46.751 29.094 12.465 1.00 126.69 ? 102 SQD f C35 1 ? ? +52877 HETATM C C36 . SQD DB 29 . ? 45.486 29.614 11.811 1.00 127.51 ? 102 SQD f C36 1 ? ? +52878 HETATM C C37 . SQD DB 29 . ? 44.230 29.532 12.652 1.00 126.15 ? 102 SQD f C37 1 ? ? +52879 HETATM C C38 . SQD DB 29 . ? 43.096 30.409 12.162 1.00 125.46 ? 102 SQD f C38 1 ? ? +52880 HETATM C C1 . SQD DB 29 . ? 45.965 21.036 30.015 1.00 147.86 ? 102 SQD f C1 1 ? ? +52881 HETATM C C2 . SQD DB 29 . ? 46.113 21.475 31.469 1.00 150.75 ? 102 SQD f C2 1 ? ? +52882 HETATM O O2 . SQD DB 29 . ? 47.491 21.643 31.793 1.00 156.05 ? 102 SQD f O2 1 ? ? +52883 HETATM C C3 . SQD DB 29 . ? 45.442 20.452 32.378 1.00 149.46 ? 102 SQD f C3 1 ? ? +52884 HETATM O O3 . SQD DB 29 . ? 45.546 20.842 33.749 1.00 144.46 ? 102 SQD f O3 1 ? ? +52885 HETATM C C4 . SQD DB 29 . ? 43.987 20.297 31.971 1.00 149.09 ? 102 SQD f C4 1 ? ? +52886 HETATM O O4 . SQD DB 29 . ? 43.353 19.314 32.784 1.00 155.09 ? 102 SQD f O4 1 ? ? +52887 HETATM C C5 . SQD DB 29 . ? 43.910 19.875 30.511 1.00 143.34 ? 102 SQD f C5 1 ? ? +52888 HETATM C C6 . SQD DB 29 . ? 42.497 19.816 29.963 1.00 135.58 ? 102 SQD f C6 1 ? ? +52889 HETATM O O5 . SQD DB 29 . ? 44.603 20.831 29.686 1.00 145.82 ? 102 SQD f O5 1 ? ? +52890 HETATM S S . SQD DB 29 . ? 42.410 19.372 28.254 1.00 128.92 ? 102 SQD f S 1 ? ? +52891 HETATM O O7 . SQD DB 29 . ? 43.094 20.373 27.499 1.00 126.42 ? 102 SQD f O7 1 ? ? +52892 HETATM O O8 . SQD DB 29 . ? 43.245 18.070 28.210 1.00 126.02 ? 102 SQD f O8 1 ? ? +52893 HETATM O O9 . SQD DB 29 . ? 41.029 19.106 27.978 1.00 128.81 ? 102 SQD f O9 1 ? ? +52894 HETATM MG MG . CLA DC 33 . ? -20.484 -36.299 -23.826 1.00 48.88 ? 603 CLA B MG 1 ? ? +52895 HETATM C CHA . CLA DC 33 . ? -19.411 -33.693 -25.770 1.00 47.69 ? 603 CLA B CHA 1 ? ? +52896 HETATM C CHB . CLA DC 33 . ? -19.526 -38.443 -26.291 1.00 48.72 ? 603 CLA B CHB 1 ? ? +52897 HETATM C CHC . CLA DC 33 . ? -20.361 -38.929 -21.506 1.00 49.68 ? 603 CLA B CHC 1 ? ? +52898 HETATM C CHD . CLA DC 33 . ? -20.357 -34.116 -20.973 1.00 48.63 ? 603 CLA B CHD 1 ? ? +52899 HETATM N NA . CLA DC 33 . ? -19.645 -36.123 -25.646 1.00 48.29 ? 603 CLA B NA 1 ? ? +52900 HETATM C C1A . CLA DC 33 . ? -19.389 -35.051 -26.304 1.00 47.95 ? 603 CLA B C1A 1 ? ? +52901 HETATM C C2A . CLA DC 33 . ? -18.992 -35.244 -27.739 1.00 47.85 ? 603 CLA B C2A 1 ? ? +52902 HETATM C C3A . CLA DC 33 . ? -19.289 -36.686 -27.955 1.00 48.19 ? 603 CLA B C3A 1 ? ? +52903 HETATM C C4A . CLA DC 33 . ? -19.473 -37.135 -26.529 1.00 48.37 ? 603 CLA B C4A 1 ? ? +52904 HETATM C CMA . CLA DC 33 . ? -20.573 -36.873 -28.796 1.00 48.81 ? 603 CLA B CMA 1 ? ? +52905 HETATM C CAA . CLA DC 33 . ? -17.509 -34.922 -27.924 1.00 47.35 ? 603 CLA B CAA 1 ? ? +52906 HETATM C CBA . CLA DC 33 . ? -16.610 -35.619 -26.898 1.00 47.39 ? 603 CLA B CBA 1 ? ? +52907 HETATM C CGA . CLA DC 33 . ? -16.194 -36.958 -27.422 1.00 47.80 ? 603 CLA B CGA 1 ? ? +52908 HETATM O O1A . CLA DC 33 . ? -15.973 -37.142 -28.620 1.00 47.69 ? 603 CLA B O1A 1 ? ? +52909 HETATM O O2A . CLA DC 33 . ? -16.060 -38.026 -26.474 1.00 48.75 ? 603 CLA B O2A 1 ? ? +52910 HETATM N NB . CLA DC 33 . ? -19.996 -38.294 -23.862 1.00 49.10 ? 603 CLA B NB 1 ? ? +52911 HETATM C C1B . CLA DC 33 . ? -19.739 -39.035 -24.966 1.00 49.06 ? 603 CLA B C1B 1 ? ? +52912 HETATM C C2B . CLA DC 33 . ? -19.546 -40.483 -24.777 1.00 49.35 ? 603 CLA B C2B 1 ? ? +52913 HETATM C C3B . CLA DC 33 . ? -19.759 -40.615 -23.344 1.00 49.62 ? 603 CLA B C3B 1 ? ? +52914 HETATM C C4B . CLA DC 33 . ? -20.078 -39.239 -22.903 1.00 49.47 ? 603 CLA B C4B 1 ? ? +52915 HETATM C CMB . CLA DC 33 . ? -19.167 -41.463 -25.841 1.00 49.33 ? 603 CLA B CMB 1 ? ? +52916 HETATM C CAB . CLA DC 33 . ? -19.769 -41.818 -22.475 1.00 50.04 ? 603 CLA B CAB 1 ? ? +52917 HETATM C CBB . CLA DC 33 . ? -19.757 -43.063 -22.922 1.00 50.34 ? 603 CLA B CBB 1 ? ? +52918 HETATM N NC . CLA DC 33 . ? -20.328 -36.483 -21.757 1.00 49.05 ? 603 CLA B NC 1 ? ? +52919 HETATM C C1C . CLA DC 33 . ? -20.399 -37.584 -20.975 1.00 49.43 ? 603 CLA B C1C 1 ? ? +52920 HETATM C C2C . CLA DC 33 . ? -20.393 -37.405 -19.505 1.00 49.57 ? 603 CLA B C2C 1 ? ? +52921 HETATM C C3C . CLA DC 33 . ? -20.406 -35.977 -19.360 1.00 49.26 ? 603 CLA B C3C 1 ? ? +52922 HETATM C C4C . CLA DC 33 . ? -20.422 -35.548 -20.769 1.00 48.99 ? 603 CLA B C4C 1 ? ? +52923 HETATM C CMC . CLA DC 33 . ? -20.381 -38.404 -18.395 1.00 49.96 ? 603 CLA B CMC 1 ? ? +52924 HETATM C CAC . CLA DC 33 . ? -20.410 -35.138 -18.097 1.00 49.24 ? 603 CLA B CAC 1 ? ? +52925 HETATM C CBC . CLA DC 33 . ? -18.999 -34.760 -17.720 1.00 48.55 ? 603 CLA B CBC 1 ? ? +52926 HETATM N ND . CLA DC 33 . ? -19.758 -34.462 -23.388 1.00 48.18 ? 603 CLA B ND 1 ? ? +52927 HETATM C C1D . CLA DC 33 . ? -20.092 -33.580 -22.273 1.00 48.26 ? 603 CLA B C1D 1 ? ? +52928 HETATM C C2D . CLA DC 33 . ? -19.831 -32.151 -22.585 1.00 47.84 ? 603 CLA B C2D 1 ? ? +52929 HETATM C C3D . CLA DC 33 . ? -19.589 -32.266 -24.019 1.00 47.62 ? 603 CLA B C3D 1 ? ? +52930 HETATM C C4D . CLA DC 33 . ? -19.709 -33.544 -24.392 1.00 47.89 ? 603 CLA B C4D 1 ? ? +52931 HETATM C CMD . CLA DC 33 . ? -19.885 -30.841 -21.857 1.00 47.69 ? 603 CLA B CMD 1 ? ? +52932 HETATM C CAD . CLA DC 33 . ? -19.304 -31.445 -25.204 1.00 47.27 ? 603 CLA B CAD 1 ? ? +52933 HETATM O OBD . CLA DC 33 . ? -19.145 -30.172 -25.230 1.00 47.02 ? 603 CLA B OBD 1 ? ? +52934 HETATM C CBD . CLA DC 33 . ? -19.155 -32.349 -26.382 1.00 47.30 ? 603 CLA B CBD 1 ? ? +52935 HETATM C CGD . CLA DC 33 . ? -20.087 -31.888 -27.462 1.00 47.62 ? 603 CLA B CGD 1 ? ? +52936 HETATM O O1D . CLA DC 33 . ? -19.683 -31.472 -28.540 1.00 47.34 ? 603 CLA B O1D 1 ? ? +52937 HETATM O O2D . CLA DC 33 . ? -21.502 -31.852 -27.280 1.00 48.31 ? 603 CLA B O2D 1 ? ? +52938 HETATM C CED . CLA DC 33 . ? -22.242 -31.017 -28.190 1.00 48.50 ? 603 CLA B CED 1 ? ? +52939 HETATM C C1 . CLA DC 33 . ? -15.734 -39.359 -26.893 1.00 49.63 ? 603 CLA B C1 1 ? ? +52940 HETATM C C2 . CLA DC 33 . ? -15.524 -40.217 -25.660 1.00 50.55 ? 603 CLA B C2 1 ? ? +52941 HETATM C C3 . CLA DC 33 . ? -15.335 -41.558 -25.657 1.00 51.91 ? 603 CLA B C3 1 ? ? +52942 HETATM C C4 . CLA DC 33 . ? -15.249 -42.365 -26.928 1.00 51.85 ? 603 CLA B C4 1 ? ? +52943 HETATM C C5 . CLA DC 33 . ? -15.139 -42.225 -24.303 1.00 53.35 ? 603 CLA B C5 1 ? ? +52944 HETATM C C6 . CLA DC 33 . ? -15.793 -43.589 -24.178 1.00 55.30 ? 603 CLA B C6 1 ? ? +52945 HETATM C C7 . CLA DC 33 . ? -15.941 -43.898 -22.680 1.00 57.07 ? 603 CLA B C7 1 ? ? +52946 HETATM C C8 . CLA DC 33 . ? -15.702 -45.332 -22.195 1.00 58.74 ? 603 CLA B C8 1 ? ? +52947 HETATM C C9 . CLA DC 33 . ? -16.594 -45.954 -21.142 1.00 59.72 ? 603 CLA B C9 1 ? ? +52948 HETATM C C10 . CLA DC 33 . ? -14.663 -46.165 -22.902 1.00 59.71 ? 603 CLA B C10 1 ? ? +52949 HETATM C C11 . CLA DC 33 . ? -14.815 -47.672 -22.774 1.00 61.11 ? 603 CLA B C11 1 ? ? +52950 HETATM C C12 . CLA DC 33 . ? -13.489 -48.202 -23.271 1.00 61.56 ? 603 CLA B C12 1 ? ? +52951 HETATM C C13 . CLA DC 33 . ? -13.432 -49.710 -23.364 1.00 62.81 ? 603 CLA B C13 1 ? ? +52952 HETATM C C14 . CLA DC 33 . ? -11.987 -50.130 -23.044 1.00 63.09 ? 603 CLA B C14 1 ? ? +52953 HETATM C C15 . CLA DC 33 . ? -13.843 -50.099 -24.774 1.00 63.33 ? 603 CLA B C15 1 ? ? +52954 HETATM C C16 . CLA DC 33 . ? -13.586 -51.582 -25.030 1.00 64.54 ? 603 CLA B C16 1 ? ? +52955 HETATM C C17 . CLA DC 33 . ? -14.677 -52.096 -25.932 1.00 66.04 ? 603 CLA B C17 1 ? ? +52956 HETATM C C18 . CLA DC 33 . ? -14.862 -53.600 -26.112 1.00 67.69 ? 603 CLA B C18 1 ? ? +52957 HETATM C C19 . CLA DC 33 . ? -14.304 -54.291 -27.356 1.00 67.72 ? 603 CLA B C19 1 ? ? +52958 HETATM C C20 . CLA DC 33 . ? -15.482 -54.394 -24.967 1.00 68.96 ? 603 CLA B C20 1 ? ? +52959 HETATM C C1 . GOL DD 38 . ? -15.228 -3.437 -21.329 1.00 75.07 ? 629 GOL B C1 1 ? ? +52960 HETATM O O1 . GOL DD 38 . ? -14.950 -2.220 -22.016 1.00 77.69 ? 629 GOL B O1 1 ? ? +52961 HETATM C C2 . GOL DD 38 . ? -16.674 -3.862 -21.482 1.00 74.76 ? 629 GOL B C2 1 ? ? +52962 HETATM O O2 . GOL DD 38 . ? -17.444 -2.807 -22.059 1.00 73.23 ? 629 GOL B O2 1 ? ? +52963 HETATM C C3 . GOL DD 38 . ? -17.325 -4.280 -20.181 1.00 75.45 ? 629 GOL B C3 1 ? ? +52964 HETATM O O3 . GOL DD 38 . ? -18.560 -3.594 -19.962 1.00 76.13 ? 629 GOL B O3 1 ? ? +52965 HETATM CA CA . CA DE 31 . ? 68.147 -68.342 -44.014 1.00 69.23 2 524 CA C CA 1 ? ? +52966 HETATM C C1B . LMT DF 37 . ? 28.943 -31.550 2.289 1.00 90.86 ? 101 LMT M C1B 1 ? ? +52967 HETATM C C2B . LMT DF 37 . ? 28.932 -33.084 2.341 1.00 90.07 ? 101 LMT M C2B 1 ? ? +52968 HETATM C C3B . LMT DF 37 . ? 27.682 -33.693 3.026 1.00 90.60 ? 101 LMT M C3B 1 ? ? +52969 HETATM C C4B . LMT DF 37 . ? 27.299 -32.957 4.301 1.00 93.17 ? 101 LMT M C4B 1 ? ? +52970 HETATM C C5B . LMT DF 37 . ? 27.249 -31.464 4.027 1.00 95.64 ? 101 LMT M C5B 1 ? ? +52971 HETATM C C6B . LMT DF 37 . ? 26.860 -30.650 5.246 1.00 96.49 ? 101 LMT M C6B 1 ? ? +52972 HETATM O O1B . LMT DF 37 . ? 28.062 -31.083 1.270 1.00 87.94 ? 101 LMT M O1B 1 ? ? +52973 HETATM O O2B . LMT DF 37 . ? 28.996 -33.625 1.024 1.00 87.80 ? 101 LMT M O2B 1 ? ? +52974 HETATM O O3B . LMT DF 37 . ? 27.896 -35.075 3.325 1.00 86.33 ? 101 LMT M O3B 1 ? ? +52975 HETATM O O4' . LMT DF 37 . ? 26.013 -33.386 4.756 1.00 93.60 ? 101 LMT M O4' 1 ? ? +52976 HETATM O O5B . LMT DF 37 . ? 28.570 -31.025 3.574 1.00 95.31 ? 101 LMT M O5B 1 ? ? +52977 HETATM O O6B . LMT DF 37 . ? 27.687 -30.953 6.370 1.00 96.72 ? 101 LMT M O6B 1 ? ? +52978 HETATM C C1' . LMT DF 37 . ? 27.379 -28.356 -1.820 1.00 79.97 ? 101 LMT M C1' 1 ? ? +52979 HETATM C C2' . LMT DF 37 . ? 28.435 -29.431 -2.054 1.00 81.78 ? 101 LMT M C2' 1 ? ? +52980 HETATM C C3' . LMT DF 37 . ? 28.322 -30.542 -1.029 1.00 83.66 ? 101 LMT M C3' 1 ? ? +52981 HETATM C C4' . LMT DF 37 . ? 28.376 -29.979 0.391 1.00 85.56 ? 101 LMT M C4' 1 ? ? +52982 HETATM C C5' . LMT DF 37 . ? 27.332 -28.854 0.526 1.00 85.18 ? 101 LMT M C5' 1 ? ? +52983 HETATM C C6' . LMT DF 37 . ? 27.376 -28.099 1.829 1.00 83.55 ? 101 LMT M C6' 1 ? ? +52984 HETATM O O1' . LMT DF 37 . ? 27.591 -27.330 -2.747 1.00 74.15 ? 101 LMT M O1' 1 ? ? +52985 HETATM O O2' . LMT DF 37 . ? 28.297 -29.987 -3.355 1.00 83.49 ? 101 LMT M O2' 1 ? ? +52986 HETATM O O3' . LMT DF 37 . ? 29.364 -31.483 -1.275 1.00 85.42 ? 101 LMT M O3' 1 ? ? +52987 HETATM O O5' . LMT DF 37 . ? 27.513 -27.840 -0.510 1.00 82.93 ? 101 LMT M O5' 1 ? ? +52988 HETATM O O6' . LMT DF 37 . ? 26.631 -26.887 1.706 1.00 80.95 ? 101 LMT M O6' 1 ? ? +52989 HETATM C C1 . LMT DF 37 . ? 26.629 -26.266 -2.741 1.00 70.94 ? 101 LMT M C1 1 ? ? +52990 HETATM C C2 . LMT DF 37 . ? 27.089 -25.287 -3.778 1.00 69.85 ? 101 LMT M C2 1 ? ? +52991 HETATM C C3 . LMT DF 37 . ? 26.053 -24.964 -4.816 1.00 68.98 ? 101 LMT M C3 1 ? ? +52992 HETATM C C4 . LMT DF 37 . ? 26.571 -24.043 -5.887 1.00 68.51 ? 101 LMT M C4 1 ? ? +52993 HETATM C C5 . LMT DF 37 . ? 25.858 -24.148 -7.197 1.00 68.49 ? 101 LMT M C5 1 ? ? +52994 HETATM C C6 . LMT DF 37 . ? 25.413 -22.830 -7.770 1.00 69.44 ? 101 LMT M C6 1 ? ? +52995 HETATM C C7 . LMT DF 37 . ? 24.761 -22.959 -9.119 1.00 70.13 ? 101 LMT M C7 1 ? ? +52996 HETATM C C8 . LMT DF 37 . ? 24.094 -21.715 -9.623 1.00 71.39 ? 101 LMT M C8 1 ? ? +52997 HETATM C C9 . LMT DF 37 . ? 23.370 -21.925 -10.929 1.00 73.78 ? 101 LMT M C9 1 ? ? +52998 HETATM C C10 . LMT DF 37 . ? 22.987 -20.654 -11.641 1.00 75.17 ? 101 LMT M C10 1 ? ? +52999 HETATM C C11 . LMT DF 37 . ? 21.812 -20.797 -12.577 1.00 75.59 ? 101 LMT M C11 1 ? ? +53000 HETATM C C12 . LMT DF 37 . ? 22.165 -21.372 -13.931 1.00 76.35 ? 101 LMT M C12 1 ? ? +53001 HETATM C C1 . LMG DG 34 . ? -26.385 8.341 -2.587 1.00 93.77 ? 415 LMG a C1 1 ? ? +53002 HETATM O O1 . LMG DG 34 . ? -26.121 7.953 -1.267 1.00 92.40 ? 415 LMG a O1 1 ? ? +53003 HETATM C C2 . LMG DG 34 . ? -26.944 7.154 -3.355 1.00 93.24 ? 415 LMG a C2 1 ? ? +53004 HETATM O O2 . LMG DG 34 . ? -25.999 6.086 -3.339 1.00 92.70 ? 415 LMG a O2 1 ? ? +53005 HETATM C C3 . LMG DG 34 . ? -27.301 7.580 -4.771 1.00 93.53 ? 415 LMG a C3 1 ? ? +53006 HETATM O O3 . LMG DG 34 . ? -27.964 6.501 -5.428 1.00 91.70 ? 415 LMG a O3 1 ? ? +53007 HETATM C C4 . LMG DG 34 . ? -28.182 8.828 -4.780 1.00 97.63 ? 415 LMG a C4 1 ? ? +53008 HETATM O O4 . LMG DG 34 . ? -29.510 8.515 -4.323 1.00 101.74 ? 415 LMG a O4 1 ? ? +53009 HETATM C C5 . LMG DG 34 . ? -27.587 9.932 -3.892 1.00 98.07 ? 415 LMG a C5 1 ? ? +53010 HETATM O O5 . LMG DG 34 . ? -27.809 12.325 -3.460 1.00 100.51 ? 415 LMG a O5 1 ? ? +53011 HETATM C C6 . LMG DG 34 . ? -28.520 11.114 -3.710 1.00 100.43 ? 415 LMG a C6 1 ? ? +53012 HETATM O O6 . LMG DG 34 . ? -27.326 9.398 -2.577 1.00 95.95 ? 415 LMG a O6 1 ? ? +53013 HETATM C C7 . LMG DG 34 . ? -25.072 8.725 -0.661 1.00 91.16 ? 415 LMG a C7 1 ? ? +53014 HETATM C C8 . LMG DG 34 . ? -25.119 8.672 0.848 1.00 91.14 ? 415 LMG a C8 1 ? ? +53015 HETATM C C9 . LMG DG 34 . ? -26.506 8.516 1.433 1.00 92.17 ? 415 LMG a C9 1 ? ? +53016 HETATM O O7 . LMG DG 34 . ? -24.298 7.562 1.303 1.00 89.24 ? 415 LMG a O7 1 ? ? +53017 HETATM C C10 . LMG DG 34 . ? -22.989 7.781 1.463 1.00 87.17 ? 415 LMG a C10 1 ? ? +53018 HETATM O O9 . LMG DG 34 . ? -22.485 8.841 1.213 1.00 86.47 ? 415 LMG a O9 1 ? ? +53019 HETATM C C11 . LMG DG 34 . ? -22.259 6.581 1.980 1.00 87.07 ? 415 LMG a C11 1 ? ? +53020 HETATM C C12 . LMG DG 34 . ? -21.007 6.926 2.717 1.00 85.13 ? 415 LMG a C12 1 ? ? +53021 HETATM C C13 . LMG DG 34 . ? -19.800 6.968 1.805 1.00 83.84 ? 415 LMG a C13 1 ? ? +53022 HETATM C C14 . LMG DG 34 . ? -18.489 7.175 2.521 1.00 83.25 ? 415 LMG a C14 1 ? ? +53023 HETATM C C15 . LMG DG 34 . ? -17.288 7.020 1.631 1.00 82.45 ? 415 LMG a C15 1 ? ? +53024 HETATM C C16 . LMG DG 34 . ? -16.085 7.812 2.061 1.00 82.27 ? 415 LMG a C16 1 ? ? +53025 HETATM C C17 . LMG DG 34 . ? -15.352 7.214 3.217 1.00 81.75 ? 415 LMG a C17 1 ? ? +53026 HETATM C C18 . LMG DG 34 . ? -13.992 7.806 3.432 1.00 82.55 ? 415 LMG a C18 1 ? ? +53027 HETATM C C19 . LMG DG 34 . ? -13.338 7.378 4.717 1.00 83.61 ? 415 LMG a C19 1 ? ? +53028 HETATM C C20 . LMG DG 34 . ? -13.946 7.994 5.946 1.00 84.86 ? 415 LMG a C20 1 ? ? +53029 HETATM C C21 . LMG DG 34 . ? -13.796 7.165 7.199 1.00 85.69 ? 415 LMG a C21 1 ? ? +53030 HETATM C C22 . LMG DG 34 . ? -14.435 7.787 8.413 1.00 87.58 ? 415 LMG a C22 1 ? ? +53031 HETATM C C23 . LMG DG 34 . ? -13.735 9.021 8.928 1.00 88.01 ? 415 LMG a C23 1 ? ? +53032 HETATM C C24 . LMG DG 34 . ? -12.674 8.738 9.958 1.00 88.58 ? 415 LMG a C24 1 ? ? +53033 HETATM C C25 . LMG DG 34 . ? -11.446 9.607 9.843 1.00 87.97 ? 415 LMG a C25 1 ? ? +53034 HETATM O O8 . LMG DG 34 . ? -26.379 8.819 2.839 1.00 92.28 ? 415 LMG a O8 1 ? ? +53035 HETATM C C28 . LMG DG 34 . ? -27.484 8.907 3.567 1.00 95.68 ? 415 LMG a C28 1 ? ? +53036 HETATM O O10 . LMG DG 34 . ? -28.594 8.699 3.126 1.00 100.98 ? 415 LMG a O10 1 ? ? +53037 HETATM C C29 . LMG DG 34 . ? -27.146 9.315 4.984 1.00 93.53 ? 415 LMG a C29 1 ? ? +53038 HETATM C C30 . LMG DG 34 . ? -25.906 10.164 5.091 1.00 89.91 ? 415 LMG a C30 1 ? ? +53039 HETATM C C31 . LMG DG 34 . ? -25.787 10.872 6.434 1.00 88.75 ? 415 LMG a C31 1 ? ? +53040 HETATM C C32 . LMG DG 34 . ? -24.435 10.746 7.102 1.00 86.80 ? 415 LMG a C32 1 ? ? +53041 HETATM C C33 . LMG DG 34 . ? -23.610 12.011 7.093 1.00 86.05 ? 415 LMG a C33 1 ? ? +53042 HETATM C C34 . LMG DG 34 . ? -22.477 12.013 8.092 1.00 85.20 ? 415 LMG a C34 1 ? ? +53043 HETATM C C35 . LMG DG 34 . ? -21.445 13.096 7.874 1.00 83.83 ? 415 LMG a C35 1 ? ? +53044 HETATM C C36 . LMG DG 34 . ? -20.106 12.822 8.522 1.00 82.08 ? 415 LMG a C36 1 ? ? +53045 HETATM C C37 . LMG DG 34 . ? -19.795 13.677 9.731 1.00 82.27 ? 415 LMG a C37 1 ? ? +53046 HETATM C C38 . LMG DG 34 . ? -18.324 14.025 9.887 1.00 82.35 ? 415 LMG a C38 1 ? ? +53047 HETATM C C39 . LMG DG 34 . ? -17.435 12.840 10.184 1.00 81.49 ? 415 LMG a C39 1 ? ? +53048 HETATM C C40 . LMG DG 34 . ? -15.996 13.174 10.440 1.00 81.01 ? 415 LMG a C40 1 ? ? +53049 HETATM C C41 . LMG DG 34 . ? -15.267 12.136 11.269 1.00 81.27 ? 415 LMG a C41 1 ? ? +53050 HETATM C C42 . LMG DG 34 . ? -13.857 12.530 11.659 1.00 81.33 ? 415 LMG a C42 1 ? ? +53051 HETATM C C43 . LMG DG 34 . ? -13.053 11.430 12.322 1.00 81.00 ? 415 LMG a C43 1 ? ? +53052 HETATM C C1 . HTG DH 35 . ? 67.492 12.519 -20.745 1.00 137.65 ? 623 HTG b C1 1 ? ? +53053 HETATM S S1 . HTG DH 35 . ? 66.349 11.151 -20.376 1.00 132.56 ? 623 HTG b S1 1 ? ? +53054 HETATM C C2 . HTG DH 35 . ? 67.113 12.928 -22.179 1.00 137.84 ? 623 HTG b C2 1 ? ? +53055 HETATM O O2 . HTG DH 35 . ? 67.588 11.931 -23.079 1.00 138.28 ? 623 HTG b O2 1 ? ? +53056 HETATM C C3 . HTG DH 35 . ? 67.702 14.276 -22.598 1.00 138.58 ? 623 HTG b C3 1 ? ? +53057 HETATM O O3 . HTG DH 35 . ? 66.999 14.764 -23.740 1.00 135.76 ? 623 HTG b O3 1 ? ? +53058 HETATM C C4 . HTG DH 35 . ? 67.629 15.314 -21.497 1.00 139.44 ? 623 HTG b C4 1 ? ? +53059 HETATM O O4 . HTG DH 35 . ? 68.363 16.484 -21.858 1.00 139.77 ? 623 HTG b O4 1 ? ? +53060 HETATM C C5 . HTG DH 35 . ? 68.200 14.726 -20.222 1.00 140.00 ? 623 HTG b C5 1 ? ? +53061 HETATM O O5 . HTG DH 35 . ? 67.385 13.606 -19.834 1.00 140.49 ? 623 HTG b O5 1 ? ? +53062 HETATM C C6 . HTG DH 35 . ? 68.217 15.714 -19.069 1.00 138.88 ? 623 HTG b C6 1 ? ? +53063 HETATM O O6 . HTG DH 35 . ? 69.302 16.631 -19.193 1.00 138.79 ? 623 HTG b O6 1 ? ? +53064 HETATM C C1' . HTG DH 35 . ? 66.389 11.015 -18.554 1.00 124.97 ? 623 HTG b C1' 1 ? ? +53065 HETATM C C2' . HTG DH 35 . ? 65.167 10.252 -18.067 1.00 118.64 ? 623 HTG b C2' 1 ? ? +53066 HETATM C C3' . HTG DH 35 . ? 65.469 9.278 -16.947 1.00 115.89 ? 623 HTG b C3' 1 ? ? +53067 HETATM C C4' . HTG DH 35 . ? 64.452 9.308 -15.831 1.00 113.14 ? 623 HTG b C4' 1 ? ? +53068 HETATM C C5' . HTG DH 35 . ? 64.650 8.240 -14.773 1.00 111.61 ? 623 HTG b C5' 1 ? ? +53069 HETATM C C6' . HTG DH 35 . ? 64.130 8.589 -13.393 1.00 109.10 ? 623 HTG b C6' 1 ? ? +53070 HETATM C C7' . HTG DH 35 . ? 64.887 7.940 -12.255 1.00 108.02 ? 623 HTG b C7' 1 ? ? +53071 HETATM C C1 . LMG DI 34 . ? -0.982 44.857 11.683 1.00 78.22 ? 520 LMG c C1 1 ? ? +53072 HETATM O O1 . LMG DI 34 . ? -0.674 44.570 13.017 1.00 80.86 ? 520 LMG c O1 1 ? ? +53073 HETATM C C2 . LMG DI 34 . ? -2.085 43.904 11.235 1.00 76.73 ? 520 LMG c C2 1 ? ? +53074 HETATM O O2 . LMG DI 34 . ? -1.627 42.553 11.255 1.00 75.15 ? 520 LMG c O2 1 ? ? +53075 HETATM C C3 . LMG DI 34 . ? -2.581 44.279 9.856 1.00 76.25 ? 520 LMG c C3 1 ? ? +53076 HETATM O O3 . LMG DI 34 . ? -3.696 43.453 9.533 1.00 75.91 ? 520 LMG c O3 1 ? ? +53077 HETATM C C4 . LMG DI 34 . ? -2.971 45.746 9.795 1.00 77.25 ? 520 LMG c C4 1 ? ? +53078 HETATM O O4 . LMG DI 34 . ? -4.141 45.968 10.586 1.00 77.48 ? 520 LMG c O4 1 ? ? +53079 HETATM C C5 . LMG DI 34 . ? -1.808 46.608 10.291 1.00 77.95 ? 520 LMG c C5 1 ? ? +53080 HETATM O O5 . LMG DI 34 . ? -0.940 48.843 10.525 1.00 80.15 ? 520 LMG c O5 1 ? ? +53081 HETATM C C6 . LMG DI 34 . ? -2.136 48.078 10.372 1.00 79.06 ? 520 LMG c C6 1 ? ? +53082 HETATM O O6 . LMG DI 34 . ? -1.427 46.198 11.616 1.00 78.15 ? 520 LMG c O6 1 ? ? +53083 HETATM C C7 . LMG DI 34 . ? 0.632 44.983 13.457 1.00 83.65 ? 520 LMG c C7 1 ? ? +53084 HETATM C C8 . LMG DI 34 . ? 0.877 44.252 14.754 1.00 85.84 ? 520 LMG c C8 1 ? ? +53085 HETATM C C9 . LMG DI 34 . ? 1.136 42.784 14.517 1.00 85.62 ? 520 LMG c C9 1 ? ? +53086 HETATM O O7 . LMG DI 34 . ? 2.013 44.848 15.436 1.00 88.71 ? 520 LMG c O7 1 ? ? +53087 HETATM C C10 . LMG DI 34 . ? 1.775 45.693 16.452 1.00 92.08 ? 520 LMG c C10 1 ? ? +53088 HETATM O O9 . LMG DI 34 . ? 0.664 45.952 16.835 1.00 92.10 ? 520 LMG c O9 1 ? ? +53089 HETATM C C11 . LMG DI 34 . ? 3.029 46.272 17.049 1.00 94.27 ? 520 LMG c C11 1 ? ? +53090 HETATM C C12 . LMG DI 34 . ? 3.266 45.832 18.458 1.00 96.74 ? 520 LMG c C12 1 ? ? +53091 HETATM C C13 . LMG DI 34 . ? 4.316 44.743 18.567 1.00 98.57 ? 520 LMG c C13 1 ? ? +53092 HETATM C C14 . LMG DI 34 . ? 4.071 43.763 19.685 1.00 101.11 ? 520 LMG c C14 1 ? ? +53093 HETATM C C15 . LMG DI 34 . ? 5.172 42.750 19.856 1.00 102.46 ? 520 LMG c C15 1 ? ? +53094 HETATM C C16 . LMG DI 34 . ? 4.903 41.713 20.913 1.00 104.82 ? 520 LMG c C16 1 ? ? +53095 HETATM C C17 . LMG DI 34 . ? 5.714 40.454 20.754 1.00 106.07 ? 520 LMG c C17 1 ? ? +53096 HETATM C C18 . LMG DI 34 . ? 5.630 39.506 21.922 1.00 108.46 ? 520 LMG c C18 1 ? ? +53097 HETATM C C19 . LMG DI 34 . ? 5.996 38.089 21.571 1.00 110.62 ? 520 LMG c C19 1 ? ? +53098 HETATM C C20 . LMG DI 34 . ? 5.923 37.113 22.716 1.00 113.67 ? 520 LMG c C20 1 ? ? +53099 HETATM C C21 . LMG DI 34 . ? 6.305 35.707 22.323 1.00 116.28 ? 520 LMG c C21 1 ? ? +53100 HETATM C C22 . LMG DI 34 . ? 6.381 34.723 23.469 1.00 120.17 ? 520 LMG c C22 1 ? ? +53101 HETATM C C23 . LMG DI 34 . ? 6.594 33.284 23.041 1.00 121.70 ? 520 LMG c C23 1 ? ? +53102 HETATM C C24 . LMG DI 34 . ? 7.922 33.027 22.351 1.00 122.58 ? 520 LMG c C24 1 ? ? +53103 HETATM C C25 . LMG DI 34 . ? 7.974 31.769 21.515 1.00 120.48 ? 520 LMG c C25 1 ? ? +53104 HETATM O O8 . LMG DI 34 . ? 1.194 42.084 15.779 1.00 86.23 ? 520 LMG c O8 1 ? ? +53105 HETATM C C28 . LMG DI 34 . ? 2.322 41.429 16.012 1.00 88.80 ? 520 LMG c C28 1 ? ? +53106 HETATM O O10 . LMG DI 34 . ? 3.298 41.536 15.321 1.00 90.11 ? 520 LMG c O10 1 ? ? +53107 HETATM C C29 . LMG DI 34 . ? 2.212 40.483 17.170 1.00 90.31 ? 520 LMG c C29 1 ? ? +53108 HETATM C C30 . LMG DI 34 . ? 2.738 39.117 16.830 1.00 91.07 ? 520 LMG c C30 1 ? ? +53109 HETATM C C31 . LMG DI 34 . ? 3.423 38.425 17.991 1.00 92.46 ? 520 LMG c C31 1 ? ? +53110 HETATM C C32 . LMG DI 34 . ? 3.524 36.930 17.821 1.00 92.35 ? 520 LMG c C32 1 ? ? +53111 HETATM C C33 . LMG DI 34 . ? 2.262 36.185 18.165 1.00 92.64 ? 520 LMG c C33 1 ? ? +53112 HETATM C C34 . LMG DI 34 . ? 2.471 35.041 19.125 1.00 93.40 ? 520 LMG c C34 1 ? ? +53113 HETATM C C35 . LMG DI 34 . ? 2.796 33.721 18.461 1.00 92.82 ? 520 LMG c C35 1 ? ? +53114 HETATM C C36 . LMG DI 34 . ? 1.586 32.833 18.208 1.00 92.89 ? 520 LMG c C36 1 ? ? +53115 HETATM C C37 . LMG DI 34 . ? 1.726 31.410 18.700 1.00 92.58 ? 520 LMG c C37 1 ? ? +53116 HETATM C C38 . LMG DI 34 . ? 0.419 30.726 19.028 1.00 92.70 ? 520 LMG c C38 1 ? ? +53117 HETATM C C39 . LMG DI 34 . ? -0.437 30.392 17.825 1.00 92.28 ? 520 LMG c C39 1 ? ? +53118 HETATM C C40 . LMG DI 34 . ? -1.626 29.491 18.119 1.00 92.44 ? 520 LMG c C40 1 ? ? +53119 HETATM C C41 . LMG DI 34 . ? -2.426 29.091 16.890 1.00 91.38 ? 520 LMG c C41 1 ? ? +53120 HETATM C C42 . LMG DI 34 . ? -3.154 27.766 16.998 1.00 89.86 ? 520 LMG c C42 1 ? ? +53121 HETATM C C43 . LMG DI 34 . ? -3.334 27.043 15.678 1.00 87.61 ? 520 LMG c C43 1 ? ? +53122 HETATM CA CA . CA DJ 31 . ? 16.354 55.704 -1.478 1.00 98.92 2 103 CA f CA 1 ? ? +53123 HETATM MG MG . CLA DK 33 . ? -7.580 -32.592 -25.123 1.00 46.20 ? 604 CLA B MG 1 ? ? +53124 HETATM C CHA . CLA DK 33 . ? -11.080 -32.368 -25.094 1.00 47.40 ? 604 CLA B CHA 1 ? ? +53125 HETATM C CHB . CLA DK 33 . ? -7.409 -29.188 -24.716 1.00 46.06 ? 604 CLA B CHB 1 ? ? +53126 HETATM C CHC . CLA DK 33 . ? -4.402 -32.883 -23.691 1.00 45.47 ? 604 CLA B CHC 1 ? ? +53127 HETATM C CHD . CLA DK 33 . ? -7.963 -36.124 -24.416 1.00 46.86 ? 604 CLA B CHD 1 ? ? +53128 HETATM N NA . CLA DK 33 . ? -8.946 -31.080 -24.878 1.00 46.73 ? 604 CLA B NA 1 ? ? +53129 HETATM C C1A . CLA DK 33 . ? -10.254 -31.144 -25.021 1.00 47.42 ? 604 CLA B C1A 1 ? ? +53130 HETATM C C2A . CLA DK 33 . ? -10.930 -29.814 -25.284 1.00 47.94 ? 604 CLA B C2A 1 ? ? +53131 HETATM C C3A . CLA DK 33 . ? -9.797 -28.836 -25.052 1.00 47.14 ? 604 CLA B C3A 1 ? ? +53132 HETATM C C4A . CLA DK 33 . ? -8.630 -29.759 -24.853 1.00 46.60 ? 604 CLA B C4A 1 ? ? +53133 HETATM C CMA . CLA DK 33 . ? -9.646 -27.836 -26.201 1.00 46.91 ? 604 CLA B CMA 1 ? ? +53134 HETATM C CAA . CLA DK 33 . ? -12.114 -29.474 -24.388 1.00 49.15 ? 604 CLA B CAA 1 ? ? +53135 HETATM C CBA . CLA DK 33 . ? -11.850 -29.831 -22.924 1.00 50.08 ? 604 CLA B CBA 1 ? ? +53136 HETATM C CGA . CLA DK 33 . ? -12.996 -29.388 -22.033 1.00 51.67 ? 604 CLA B CGA 1 ? ? +53137 HETATM O O1A . CLA DK 33 . ? -13.748 -28.467 -22.287 1.00 51.59 ? 604 CLA B O1A 1 ? ? +53138 HETATM O O2A . CLA DK 33 . ? -13.199 -30.098 -20.808 1.00 54.37 ? 604 CLA B O2A 1 ? ? +53139 HETATM N NB . CLA DK 33 . ? -6.208 -31.293 -24.308 1.00 45.76 ? 604 CLA B NB 1 ? ? +53140 HETATM C C1B . CLA DK 33 . ? -6.211 -29.941 -24.336 1.00 45.63 ? 604 CLA B C1B 1 ? ? +53141 HETATM C C2B . CLA DK 33 . ? -5.010 -29.256 -23.799 1.00 45.27 ? 604 CLA B C2B 1 ? ? +53142 HETATM C C3B . CLA DK 33 . ? -4.154 -30.390 -23.488 1.00 45.28 ? 604 CLA B C3B 1 ? ? +53143 HETATM C C4B . CLA DK 33 . ? -4.953 -31.551 -23.884 1.00 45.53 ? 604 CLA B C4B 1 ? ? +53144 HETATM C CMB . CLA DK 33 . ? -4.750 -27.789 -23.635 1.00 45.07 ? 604 CLA B CMB 1 ? ? +53145 HETATM C CAB . CLA DK 33 . ? -2.746 -30.454 -23.005 1.00 45.04 ? 604 CLA B CAB 1 ? ? +53146 HETATM C CBB . CLA DK 33 . ? -1.957 -29.414 -23.107 1.00 44.66 ? 604 CLA B CBB 1 ? ? +53147 HETATM N NC . CLA DK 33 . ? -6.515 -34.119 -24.206 1.00 46.08 ? 604 CLA B NC 1 ? ? +53148 HETATM C C1C . CLA DK 33 . ? -5.201 -34.087 -23.787 1.00 45.79 ? 604 CLA B C1C 1 ? ? +53149 HETATM C C2C . CLA DK 33 . ? -4.587 -35.321 -23.273 1.00 45.77 ? 604 CLA B C2C 1 ? ? +53150 HETATM C C3C . CLA DK 33 . ? -5.625 -36.285 -23.499 1.00 46.14 ? 604 CLA B C3C 1 ? ? +53151 HETATM C C4C . CLA DK 33 . ? -6.703 -35.464 -24.114 1.00 46.31 ? 604 CLA B C4C 1 ? ? +53152 HETATM C CMC . CLA DK 33 . ? -3.247 -35.575 -22.671 1.00 45.53 ? 604 CLA B CMC 1 ? ? +53153 HETATM C CAC . CLA DK 33 . ? -5.550 -37.756 -23.169 1.00 46.39 ? 604 CLA B CAC 1 ? ? +53154 HETATM C CBC . CLA DK 33 . ? -4.687 -38.523 -24.163 1.00 46.19 ? 604 CLA B CBC 1 ? ? +53155 HETATM N ND . CLA DK 33 . ? -9.097 -33.867 -24.557 1.00 46.98 ? 604 CLA B ND 1 ? ? +53156 HETATM C C1D . CLA DK 33 . ? -9.124 -35.328 -24.706 1.00 47.09 ? 604 CLA B C1D 1 ? ? +53157 HETATM C C2D . CLA DK 33 . ? -10.494 -35.868 -24.841 1.00 47.56 ? 604 CLA B C2D 1 ? ? +53158 HETATM C C3D . CLA DK 33 . ? -11.237 -34.628 -25.020 1.00 47.61 ? 604 CLA B C3D 1 ? ? +53159 HETATM C C4D . CLA DK 33 . ? -10.384 -33.598 -24.990 1.00 47.20 ? 604 CLA B C4D 1 ? ? +53160 HETATM C CMD . CLA DK 33 . ? -11.075 -37.239 -24.905 1.00 47.97 ? 604 CLA B CMD 1 ? ? +53161 HETATM C CAD . CLA DK 33 . ? -12.616 -34.148 -25.298 1.00 48.05 ? 604 CLA B CAD 1 ? ? +53162 HETATM O OBD . CLA DK 33 . ? -13.666 -34.862 -25.451 1.00 48.38 ? 604 CLA B OBD 1 ? ? +53163 HETATM C CBD . CLA DK 33 . ? -12.557 -32.659 -25.354 1.00 47.85 ? 604 CLA B CBD 1 ? ? +53164 HETATM C CGD . CLA DK 33 . ? -13.132 -32.285 -26.674 1.00 47.77 ? 604 CLA B CGD 1 ? ? +53165 HETATM O O1D . CLA DK 33 . ? -14.228 -31.776 -26.708 1.00 48.17 ? 604 CLA B O1D 1 ? ? +53166 HETATM O O2D . CLA DK 33 . ? -12.444 -32.530 -27.918 1.00 47.28 ? 604 CLA B O2D 1 ? ? +53167 HETATM C CED . CLA DK 33 . ? -13.080 -32.360 -29.167 1.00 47.46 ? 604 CLA B CED 1 ? ? +53168 HETATM C C1 . CLA DK 33 . ? -13.831 -29.459 -19.725 1.00 56.63 ? 604 CLA B C1 1 ? ? +53169 HETATM C C2 . CLA DK 33 . ? -13.898 -30.442 -18.590 1.00 58.93 ? 604 CLA B C2 1 ? ? +53170 HETATM C C3 . CLA DK 33 . ? -15.060 -30.962 -18.222 1.00 62.90 ? 604 CLA B C3 1 ? ? +53171 HETATM C C4 . CLA DK 33 . ? -16.373 -30.607 -18.893 1.00 64.26 ? 604 CLA B C4 1 ? ? +53172 HETATM C C5 . CLA DK 33 . ? -15.092 -31.910 -17.063 1.00 65.59 ? 604 CLA B C5 1 ? ? +53173 HETATM C C6 . CLA DK 33 . ? -16.267 -31.461 -16.184 1.00 67.41 ? 604 CLA B C6 1 ? ? +53174 HETATM C C7 . CLA DK 33 . ? -16.073 -32.043 -14.799 1.00 69.44 ? 604 CLA B C7 1 ? ? +53175 HETATM C C8 . CLA DK 33 . ? -17.130 -31.621 -13.831 1.00 70.86 ? 604 CLA B C8 1 ? ? +53176 HETATM C C9 . CLA DK 33 . ? -18.139 -30.569 -14.269 1.00 72.46 ? 604 CLA B C9 1 ? ? +53177 HETATM C C10 . CLA DK 33 . ? -17.239 -32.237 -12.457 1.00 72.94 ? 604 CLA B C10 1 ? ? +53178 HETATM C C11 . CLA DK 33 . ? -18.663 -32.287 -11.914 1.00 75.47 ? 604 CLA B C11 1 ? ? +53179 HETATM C C12 . CLA DK 33 . ? -18.750 -33.075 -10.614 1.00 77.73 ? 604 CLA B C12 1 ? ? +53180 HETATM C C13 . CLA DK 33 . ? -20.042 -32.667 -9.930 1.00 80.91 ? 604 CLA B C13 1 ? ? +53181 HETATM C C14 . CLA DK 33 . ? -19.849 -31.363 -9.158 1.00 82.61 ? 604 CLA B C14 1 ? ? +53182 HETATM C C15 . CLA DK 33 . ? -20.596 -33.783 -9.047 1.00 82.57 ? 604 CLA B C15 1 ? ? +53183 HETATM C C16 . CLA DK 33 . ? -22.101 -33.562 -8.749 1.00 83.32 ? 604 CLA B C16 1 ? ? +53184 HETATM C C17 . CLA DK 33 . ? -22.953 -33.728 -10.018 1.00 83.77 ? 604 CLA B C17 1 ? ? +53185 HETATM C C18 . CLA DK 33 . ? -24.428 -33.249 -9.997 1.00 84.48 ? 604 CLA B C18 1 ? ? +53186 HETATM C C19 . CLA DK 33 . ? -25.486 -34.051 -10.750 1.00 84.10 ? 604 CLA B C19 1 ? ? +53187 HETATM C C20 . CLA DK 33 . ? -24.945 -32.158 -9.067 1.00 84.70 ? 604 CLA B C20 1 ? ? +53188 HETATM C C1B . LMT DL 37 . ? -6.597 -1.489 -28.400 1.00 122.65 ? 630 LMT B C1B 1 ? ? +53189 HETATM C C2B . LMT DL 37 . ? -5.335 -0.652 -28.170 1.00 120.88 ? 630 LMT B C2B 1 ? ? +53190 HETATM C C3B . LMT DL 37 . ? -5.646 0.685 -27.515 1.00 118.36 ? 630 LMT B C3B 1 ? ? +53191 HETATM C C4B . LMT DL 37 . ? -6.691 1.409 -28.346 1.00 118.90 ? 630 LMT B C4B 1 ? ? +53192 HETATM C C5B . LMT DL 37 . ? -7.961 0.580 -28.334 1.00 120.30 ? 630 LMT B C5B 1 ? ? +53193 HETATM C C6B . LMT DL 37 . ? -9.095 1.255 -29.088 1.00 117.65 ? 630 LMT B C6B 1 ? ? +53194 HETATM O O1B . LMT DL 37 . ? -6.992 -2.129 -27.196 1.00 121.14 ? 630 LMT B O1B 1 ? ? +53195 HETATM O O2B . LMT DL 37 . ? -4.393 -1.386 -27.393 1.00 121.92 ? 630 LMT B O2B 1 ? ? +53196 HETATM O O3B . LMT DL 37 . ? -4.450 1.455 -27.391 1.00 112.98 ? 630 LMT B O3B 1 ? ? +53197 HETATM O O4' . LMT DL 37 . ? -6.978 2.711 -27.841 1.00 118.82 ? 630 LMT B O4' 1 ? ? +53198 HETATM O O5B . LMT DL 37 . ? -7.684 -0.705 -28.964 1.00 124.96 ? 630 LMT B O5B 1 ? ? +53199 HETATM O O6B . LMT DL 37 . ? -10.177 0.378 -29.406 1.00 115.41 ? 630 LMT B O6B 1 ? ? +53200 HETATM C C1' . LMT DL 37 . ? -8.231 -5.294 -24.999 1.00 114.77 ? 630 LMT B C1' 1 ? ? +53201 HETATM C C2' . LMT DL 37 . ? -7.050 -5.607 -25.914 1.00 116.82 ? 630 LMT B C2' 1 ? ? +53202 HETATM C C3' . LMT DL 37 . ? -6.394 -4.304 -26.342 1.00 118.33 ? 630 LMT B C3' 1 ? ? +53203 HETATM C C4' . LMT DL 37 . ? -7.341 -3.528 -27.251 1.00 120.85 ? 630 LMT B C4' 1 ? ? +53204 HETATM C C5' . LMT DL 37 . ? -8.812 -3.712 -26.841 1.00 120.69 ? 630 LMT B C5' 1 ? ? +53205 HETATM C C6' . LMT DL 37 . ? -9.599 -4.702 -27.690 1.00 117.79 ? 630 LMT B C6' 1 ? ? +53206 HETATM O O1' . LMT DL 37 . ? -9.110 -6.392 -24.951 1.00 107.84 ? 630 LMT B O1' 1 ? ? +53207 HETATM O O2' . LMT DL 37 . ? -6.104 -6.455 -25.263 1.00 112.31 ? 630 LMT B O2' 1 ? ? +53208 HETATM O O3' . LMT DL 37 . ? -5.156 -4.581 -27.004 1.00 116.23 ? 630 LMT B O3' 1 ? ? +53209 HETATM O O5' . LMT DL 37 . ? -8.948 -4.141 -25.434 1.00 118.85 ? 630 LMT B O5' 1 ? ? +53210 HETATM O O6' . LMT DL 37 . ? -8.807 -5.425 -28.637 1.00 115.64 ? 630 LMT B O6' 1 ? ? +53211 HETATM C C1 . LMT DL 37 . ? -9.472 -6.805 -23.617 1.00 102.21 ? 630 LMT B C1 1 ? ? +53212 HETATM C C2 . LMT DL 37 . ? -10.024 -8.203 -23.632 1.00 97.97 ? 630 LMT B C2 1 ? ? +53213 HETATM C C3 . LMT DL 37 . ? -10.127 -8.832 -22.256 1.00 94.56 ? 630 LMT B C3 1 ? ? +53214 HETATM C C4 . LMT DL 37 . ? -8.786 -9.202 -21.637 1.00 92.30 ? 630 LMT B C4 1 ? ? +53215 HETATM C C5 . LMT DL 37 . ? -8.595 -8.666 -20.240 1.00 92.10 ? 630 LMT B C5 1 ? ? +53216 HETATM C C6 . LMT DL 37 . ? -7.613 -9.418 -19.368 1.00 93.54 ? 630 LMT B C6 1 ? ? +53217 HETATM C C7 . LMT DL 37 . ? -7.413 -8.778 -18.000 1.00 98.39 ? 630 LMT B C7 1 ? ? +53218 HETATM C C8 . LMT DL 37 . ? -7.809 -9.625 -16.797 1.00 103.37 ? 630 LMT B C8 1 ? ? +53219 HETATM C C9 . LMT DL 37 . ? -6.652 -10.375 -16.153 1.00 109.67 ? 630 LMT B C9 1 ? ? +53220 HETATM C C10 . LMT DL 37 . ? -6.824 -10.718 -14.679 1.00 113.36 ? 630 LMT B C10 1 ? ? +53221 HETATM C C11 . LMT DL 37 . ? -5.617 -11.426 -14.080 1.00 115.18 ? 630 LMT B C11 1 ? ? +53222 HETATM C C12 . LMT DL 37 . ? -5.627 -11.553 -12.572 1.00 116.49 ? 630 LMT B C12 1 ? ? +53223 HETATM C C A BCT DM 43 . ? 26.019 -58.930 -20.034 0.40 50.78 ? 401 BCT D C 1 ? ? +53224 HETATM C C B BCT DM 43 . ? 25.745 -59.428 -20.122 0.60 51.32 ? 401 BCT D C 1 ? ? +53225 HETATM O O1 A BCT DM 43 . ? 25.019 -59.540 -20.414 0.40 50.78 ? 401 BCT D O1 1 ? ? +53226 HETATM O O1 B BCT DM 43 . ? 24.649 -59.687 -20.620 0.60 51.09 ? 401 BCT D O1 1 ? ? +53227 HETATM O O2 A BCT DM 43 . ? 26.510 -58.047 -20.717 0.40 50.38 ? 401 BCT D O2 1 ? ? +53228 HETATM O O2 B BCT DM 43 . ? 26.509 -58.645 -20.667 0.60 51.02 ? 401 BCT D O2 1 ? ? +53229 HETATM O O3 A BCT DM 43 . ? 26.586 -59.234 -18.839 0.40 51.19 ? 401 BCT D O3 1 ? ? +53230 HETATM O O3 B BCT DM 43 . ? 26.117 -60.015 -18.954 0.60 51.83 ? 401 BCT D O3 1 ? ? +53231 HETATM C C1 . GOL DN 38 . ? 0.665 -3.439 -26.060 1.00 122.79 ? 416 GOL a C1 1 ? ? +53232 HETATM O O1 . GOL DN 38 . ? 0.995 -3.582 -27.440 1.00 121.44 ? 416 GOL a O1 1 ? ? +53233 HETATM C C2 . GOL DN 38 . ? -0.641 -2.696 -25.838 1.00 121.45 ? 416 GOL a C2 1 ? ? +53234 HETATM O O2 . GOL DN 38 . ? -0.726 -2.311 -24.464 1.00 115.03 ? 416 GOL a O2 1 ? ? +53235 HETATM C C3 . GOL DN 38 . ? -0.819 -1.481 -26.732 1.00 120.00 ? 416 GOL a C3 1 ? ? +53236 HETATM O O3 . GOL DN 38 . ? -2.163 -1.007 -26.744 1.00 120.38 ? 416 GOL a O3 1 ? ? +53237 HETATM C C1 . GOL DO 38 . ? 47.198 -16.617 4.430 1.00 91.41 ? 624 GOL b C1 1 ? ? +53238 HETATM O O1 . GOL DO 38 . ? 47.215 -17.600 3.399 1.00 90.81 ? 624 GOL b O1 1 ? ? +53239 HETATM C C2 . GOL DO 38 . ? 48.250 -15.545 4.212 1.00 92.98 ? 624 GOL b C2 1 ? ? +53240 HETATM O O2 . GOL DO 38 . ? 49.563 -16.064 4.441 1.00 90.20 ? 624 GOL b O2 1 ? ? +53241 HETATM C C3 . GOL DO 38 . ? 48.030 -14.316 5.073 1.00 93.65 ? 624 GOL b C3 1 ? ? +53242 HETATM O O3 . GOL DO 38 . ? 46.658 -14.143 5.428 1.00 92.16 ? 624 GOL b O3 1 ? ? +53243 HETATM C C1 . LMG DP 34 . ? -24.584 53.840 21.164 1.00 135.75 ? 521 LMG c C1 1 ? ? +53244 HETATM O O1 . LMG DP 34 . ? -25.591 52.878 21.349 1.00 136.33 ? 521 LMG c O1 1 ? ? +53245 HETATM C C2 . LMG DP 34 . ? -24.516 54.258 19.707 1.00 134.02 ? 521 LMG c C2 1 ? ? +53246 HETATM O O2 . LMG DP 34 . ? -24.590 53.119 18.855 1.00 130.88 ? 521 LMG c O2 1 ? ? +53247 HETATM C C3 . LMG DP 34 . ? -23.228 55.011 19.502 1.00 133.06 ? 521 LMG c C3 1 ? ? +53248 HETATM O O3 . LMG DP 34 . ? -23.204 55.565 18.185 1.00 132.09 ? 521 LMG c O3 1 ? ? +53249 HETATM C C4 . LMG DP 34 . ? -23.010 56.112 20.549 1.00 135.13 ? 521 LMG c C4 1 ? ? +53250 HETATM O O4 . LMG DP 34 . ? -23.218 57.372 19.911 1.00 135.54 ? 521 LMG c O4 1 ? ? +53251 HETATM C C5 . LMG DP 34 . ? -23.900 56.064 21.852 1.00 137.93 ? 521 LMG c C5 1 ? ? +53252 HETATM O O5 . LMG DP 34 . ? -24.529 57.873 23.365 1.00 140.71 ? 521 LMG c O5 1 ? ? +53253 HETATM C C6 . LMG DP 34 . ? -24.709 57.333 22.054 1.00 139.81 ? 521 LMG c C6 1 ? ? +53254 HETATM O O6 . LMG DP 34 . ? -24.879 54.981 21.936 1.00 137.18 ? 521 LMG c O6 1 ? ? +53255 HETATM C C7 . LMG DP 34 . ? -25.694 52.390 22.702 1.00 136.59 ? 521 LMG c C7 1 ? ? +53256 HETATM C C8 . LMG DP 34 . ? -26.098 50.915 22.788 1.00 136.67 ? 521 LMG c C8 1 ? ? +53257 HETATM C C9 . LMG DP 34 . ? -26.902 50.647 24.049 1.00 138.40 ? 521 LMG c C9 1 ? ? +53258 HETATM O O7 . LMG DP 34 . ? -26.787 50.682 21.518 1.00 135.00 ? 521 LMG c O7 1 ? ? +53259 HETATM C C10 . LMG DP 34 . ? -27.008 49.439 21.028 1.00 129.77 ? 521 LMG c C10 1 ? ? +53260 HETATM O O9 . LMG DP 34 . ? -27.442 49.319 19.910 1.00 129.44 ? 521 LMG c O9 1 ? ? +53261 HETATM C C11 . LMG DP 34 . ? -26.757 48.209 21.865 1.00 125.56 ? 521 LMG c C11 1 ? ? +53262 HETATM C C12 . LMG DP 34 . ? -25.612 47.358 21.405 1.00 120.23 ? 521 LMG c C12 1 ? ? +53263 HETATM C C13 . LMG DP 34 . ? -25.801 45.901 21.800 1.00 116.29 ? 521 LMG c C13 1 ? ? +53264 HETATM C C14 . LMG DP 34 . ? -24.536 45.156 22.143 1.00 112.74 ? 521 LMG c C14 1 ? ? +53265 HETATM C C15 . LMG DP 34 . ? -24.783 43.841 22.854 1.00 109.46 ? 521 LMG c C15 1 ? ? +53266 HETATM C C16 . LMG DP 34 . ? -23.543 43.018 23.101 1.00 105.71 ? 521 LMG c C16 1 ? ? +53267 HETATM C C17 . LMG DP 34 . ? -23.724 41.896 24.102 1.00 103.77 ? 521 LMG c C17 1 ? ? +53268 HETATM C C18 . LMG DP 34 . ? -22.433 41.208 24.484 1.00 101.29 ? 521 LMG c C18 1 ? ? +53269 HETATM C C19 . LMG DP 34 . ? -22.482 40.403 25.766 1.00 99.74 ? 521 LMG c C19 1 ? ? +53270 HETATM C C20 . LMG DP 34 . ? -21.193 39.668 26.053 1.00 97.56 ? 521 LMG c C20 1 ? ? +53271 HETATM C C21 . LMG DP 34 . ? -21.219 38.737 27.247 1.00 96.22 ? 521 LMG c C21 1 ? ? +53272 HETATM C C22 . LMG DP 34 . ? -19.853 38.168 27.587 1.00 94.41 ? 521 LMG c C22 1 ? ? +53273 HETATM C C23 . LMG DP 34 . ? -19.835 37.149 28.708 1.00 93.51 ? 521 LMG c C23 1 ? ? +53274 HETATM C C24 . LMG DP 34 . ? -18.453 36.610 29.027 1.00 92.02 ? 521 LMG c C24 1 ? ? +53275 HETATM C C25 . LMG DP 34 . ? -18.399 35.632 30.178 1.00 91.36 ? 521 LMG c C25 1 ? ? +53276 HETATM O O8 . LMG DP 34 . ? -26.677 49.306 24.555 1.00 139.18 ? 521 LMG c O8 1 ? ? +53277 HETATM C C28 . LMG DP 34 . ? -25.872 49.146 25.610 1.00 139.77 ? 521 LMG c C28 1 ? ? +53278 HETATM O O10 . LMG DP 34 . ? -25.230 50.040 26.097 1.00 142.38 ? 521 LMG c O10 1 ? ? +53279 HETATM C C29 . LMG DP 34 . ? -25.917 47.725 26.143 1.00 137.33 ? 521 LMG c C29 1 ? ? +53280 HETATM C C30 . LMG DP 34 . ? -24.592 47.186 26.644 1.00 134.66 ? 521 LMG c C30 1 ? ? +53281 HETATM C C31 . LMG DP 34 . ? -24.283 47.555 28.095 1.00 133.65 ? 521 LMG c C31 1 ? ? +53282 HETATM C C32 . LMG DP 34 . ? -23.386 46.570 28.835 1.00 133.21 ? 521 LMG c C32 1 ? ? +53283 HETATM C C33 . LMG DP 34 . ? -24.025 45.224 29.116 1.00 133.16 ? 521 LMG c C33 1 ? ? +53284 HETATM C C34 . LMG DP 34 . ? -23.418 44.439 30.265 1.00 132.77 ? 521 LMG c C34 1 ? ? +53285 HETATM C C35 . LMG DP 34 . ? -23.848 42.984 30.296 1.00 132.38 ? 521 LMG c C35 1 ? ? +53286 HETATM C C36 . LMG DP 34 . ? -23.121 42.118 31.300 1.00 133.15 ? 521 LMG c C36 1 ? ? +53287 HETATM C C37 . LMG DP 34 . ? -23.092 40.645 30.938 1.00 133.66 ? 521 LMG c C37 1 ? ? +53288 HETATM C C38 . LMG DP 34 . ? -22.393 39.755 31.948 1.00 133.46 ? 521 LMG c C38 1 ? ? +53289 HETATM C C39 . LMG DP 34 . ? -22.278 38.301 31.529 1.00 131.71 ? 521 LMG c C39 1 ? ? +53290 HETATM C C40 . LMG DP 34 . ? -21.945 37.337 32.648 1.00 131.90 ? 521 LMG c C40 1 ? ? +53291 HETATM C C41 . LMG DP 34 . ? -22.859 37.444 33.852 1.00 134.69 ? 521 LMG c C41 1 ? ? +53292 HETATM C C42 . LMG DP 34 . ? -22.956 36.194 34.703 1.00 135.33 ? 521 LMG c C42 1 ? ? +53293 HETATM C C43 . LMG DP 34 . ? -23.880 36.329 35.899 1.00 134.25 ? 521 LMG c C43 1 ? ? +53294 HETATM C C1 . BCR DQ 30 . ? 52.605 5.221 -1.837 1.00 61.45 ? 101 BCR h C1 1 ? ? +53295 HETATM C C2 . BCR DQ 30 . ? 52.282 4.367 -0.607 1.00 61.35 ? 101 BCR h C2 1 ? ? +53296 HETATM C C3 . BCR DQ 30 . ? 53.065 4.751 0.590 1.00 62.25 ? 101 BCR h C3 1 ? ? +53297 HETATM C C4 . BCR DQ 30 . ? 54.565 4.711 0.313 1.00 63.09 ? 101 BCR h C4 1 ? ? +53298 HETATM C C5 . BCR DQ 30 . ? 54.982 5.284 -1.012 1.00 63.10 ? 101 BCR h C5 1 ? ? +53299 HETATM C C6 . BCR DQ 30 . ? 54.093 5.514 -2.002 1.00 62.40 ? 101 BCR h C6 1 ? ? +53300 HETATM C C7 . BCR DQ 30 . ? 54.496 6.014 -3.295 1.00 62.58 ? 101 BCR h C7 1 ? ? +53301 HETATM C C8 . BCR DQ 30 . ? 55.532 6.860 -3.584 1.00 63.50 ? 101 BCR h C8 1 ? ? +53302 HETATM C C9 . BCR DQ 30 . ? 55.876 7.325 -4.859 1.00 63.63 ? 101 BCR h C9 1 ? ? +53303 HETATM C C10 . BCR DQ 30 . ? 56.649 8.494 -4.991 1.00 64.54 ? 101 BCR h C10 1 ? ? +53304 HETATM C C11 . BCR DQ 30 . ? 56.918 9.234 -6.126 1.00 64.82 ? 101 BCR h C11 1 ? ? +53305 HETATM C C33 . BCR DQ 30 . ? 56.468 5.518 -1.101 1.00 64.12 ? 101 BCR h C33 1 ? ? +53306 HETATM C C31 . BCR DQ 30 . ? 51.851 6.549 -1.681 1.00 61.36 ? 101 BCR h C31 1 ? ? +53307 HETATM C C32 . BCR DQ 30 . ? 52.022 4.500 -3.064 1.00 60.61 ? 101 BCR h C32 1 ? ? +53308 HETATM C C34 . BCR DQ 30 . ? 55.467 6.623 -6.105 1.00 62.75 ? 101 BCR h C34 1 ? ? +53309 HETATM C C12 . BCR DQ 30 . ? 57.330 10.555 -6.133 1.00 65.63 ? 101 BCR h C12 1 ? ? +53310 HETATM C C13 . BCR DQ 30 . ? 57.586 11.432 -7.215 1.00 66.04 ? 101 BCR h C13 1 ? ? +53311 HETATM C C14 . BCR DQ 30 . ? 57.807 12.809 -6.989 1.00 66.61 ? 101 BCR h C14 1 ? ? +53312 HETATM C C15 . BCR DQ 30 . ? 58.047 13.837 -7.870 1.00 66.90 ? 101 BCR h C15 1 ? ? +53313 HETATM C C16 . BCR DQ 30 . ? 58.193 15.179 -7.586 1.00 67.58 ? 101 BCR h C16 1 ? ? +53314 HETATM C C17 . BCR DQ 30 . ? 58.448 16.236 -8.430 1.00 68.08 ? 101 BCR h C17 1 ? ? +53315 HETATM C C18 . BCR DQ 30 . ? 58.501 17.608 -8.152 1.00 68.83 ? 101 BCR h C18 1 ? ? +53316 HETATM C C19 . BCR DQ 30 . ? 58.746 18.565 -9.167 1.00 69.32 ? 101 BCR h C19 1 ? ? +53317 HETATM C C20 . BCR DQ 30 . ? 58.714 19.950 -9.110 1.00 69.98 ? 101 BCR h C20 1 ? ? +53318 HETATM C C21 . BCR DQ 30 . ? 58.896 20.827 -10.173 1.00 70.42 ? 101 BCR h C21 1 ? ? +53319 HETATM C C22 . BCR DQ 30 . ? 58.921 22.234 -10.182 1.00 71.10 ? 101 BCR h C22 1 ? ? +53320 HETATM C C23 . BCR DQ 30 . ? 59.199 22.947 -11.362 1.00 71.64 ? 101 BCR h C23 1 ? ? +53321 HETATM C C24 . BCR DQ 30 . ? 59.624 24.246 -11.418 1.00 72.78 ? 101 BCR h C24 1 ? ? +53322 HETATM C C25 . BCR DQ 30 . ? 59.938 25.054 -12.592 1.00 73.49 ? 101 BCR h C25 1 ? ? +53323 HETATM C C26 . BCR DQ 30 . ? 59.271 24.978 -13.767 1.00 72.93 ? 101 BCR h C26 1 ? ? +53324 HETATM C C27 . BCR DQ 30 . ? 59.684 25.786 -14.967 1.00 73.47 ? 101 BCR h C27 1 ? ? +53325 HETATM C C28 . BCR DQ 30 . ? 61.128 26.278 -14.936 1.00 74.78 ? 101 BCR h C28 1 ? ? +53326 HETATM C C29 . BCR DQ 30 . ? 61.452 26.850 -13.602 1.00 75.48 ? 101 BCR h C29 1 ? ? +53327 HETATM C C30 . BCR DQ 30 . ? 61.201 25.886 -12.435 1.00 75.09 ? 101 BCR h C30 1 ? ? +53328 HETATM C C35 . BCR DQ 30 . ? 57.641 10.893 -8.605 1.00 65.76 ? 101 BCR h C35 1 ? ? +53329 HETATM C C36 . BCR DQ 30 . ? 58.290 18.060 -6.748 1.00 69.16 ? 101 BCR h C36 1 ? ? +53330 HETATM C C37 . BCR DQ 30 . ? 58.620 22.929 -8.896 1.00 71.21 ? 101 BCR h C37 1 ? ? +53331 HETATM C C38 . BCR DQ 30 . ? 58.038 24.150 -14.021 1.00 71.59 ? 101 BCR h C38 1 ? ? +53332 HETATM C C39 . BCR DQ 30 . ? 61.135 26.707 -11.135 1.00 75.62 ? 101 BCR h C39 1 ? ? +53333 HETATM C C40 . BCR DQ 30 . ? 62.412 24.945 -12.347 1.00 75.82 ? 101 BCR h C40 1 ? ? +53334 HETATM MG MG . CLA DR 33 . ? -14.448 -25.462 -17.918 1.00 47.87 ? 605 CLA B MG 1 ? ? +53335 HETATM C CHA . CLA DR 33 . ? -13.667 -25.524 -21.297 1.00 47.24 ? 605 CLA B CHA 1 ? ? +53336 HETATM C CHB . CLA DR 33 . ? -17.728 -25.144 -18.748 1.00 48.94 ? 605 CLA B CHB 1 ? ? +53337 HETATM C CHC . CLA DR 33 . ? -15.440 -26.817 -14.804 1.00 48.82 ? 605 CLA B CHC 1 ? ? +53338 HETATM C CHD . CLA DR 33 . ? -11.250 -27.085 -17.328 1.00 46.91 ? 605 CLA B CHD 1 ? ? +53339 HETATM N NA . CLA DR 33 . ? -15.500 -25.346 -19.641 1.00 48.06 ? 605 CLA B NA 1 ? ? +53340 HETATM C C1A . CLA DR 33 . ? -15.050 -25.250 -20.855 1.00 47.76 ? 605 CLA B C1A 1 ? ? +53341 HETATM C C2A . CLA DR 33 . ? -16.058 -24.829 -21.889 1.00 48.05 ? 605 CLA B C2A 1 ? ? +53342 HETATM C C3A . CLA DR 33 . ? -17.300 -24.617 -21.054 1.00 48.58 ? 605 CLA B C3A 1 ? ? +53343 HETATM C C4A . CLA DR 33 . ? -16.833 -25.091 -19.712 1.00 48.55 ? 605 CLA B C4A 1 ? ? +53344 HETATM C CMA . CLA DR 33 . ? -17.702 -23.148 -21.023 1.00 48.59 ? 605 CLA B CMA 1 ? ? +53345 HETATM C CAA . CLA DR 33 . ? -16.281 -25.895 -22.953 1.00 48.27 ? 605 CLA B CAA 1 ? ? +53346 HETATM C CBA . CLA DR 33 . ? -16.759 -27.195 -22.312 1.00 48.83 ? 605 CLA B CBA 1 ? ? +53347 HETATM C CGA . CLA DR 33 . ? -16.488 -28.411 -23.144 1.00 49.01 ? 605 CLA B CGA 1 ? ? +53348 HETATM O O1A . CLA DR 33 . ? -16.332 -28.415 -24.356 1.00 48.90 ? 605 CLA B O1A 1 ? ? +53349 HETATM O O2A . CLA DR 33 . ? -16.462 -29.652 -22.440 1.00 49.61 ? 605 CLA B O2A 1 ? ? +53350 HETATM N NB . CLA DR 33 . ? -16.237 -25.947 -16.977 1.00 48.69 ? 605 CLA B NB 1 ? ? +53351 HETATM C C1B . CLA DR 33 . ? -17.469 -25.628 -17.413 1.00 49.08 ? 605 CLA B C1B 1 ? ? +53352 HETATM C C2B . CLA DR 33 . ? -18.614 -25.962 -16.543 1.00 49.81 ? 605 CLA B C2B 1 ? ? +53353 HETATM C C3B . CLA DR 33 . ? -17.934 -26.466 -15.382 1.00 49.74 ? 605 CLA B C3B 1 ? ? +53354 HETATM C C4B . CLA DR 33 . ? -16.490 -26.364 -15.711 1.00 49.04 ? 605 CLA B C4B 1 ? ? +53355 HETATM C CMB . CLA DR 33 . ? -20.094 -25.795 -16.743 1.00 50.49 ? 605 CLA B CMB 1 ? ? +53356 HETATM C CAB . CLA DR 33 . ? -18.670 -26.869 -14.179 1.00 50.40 ? 605 CLA B CAB 1 ? ? +53357 HETATM C CBB . CLA DR 33 . ? -18.086 -26.999 -13.016 1.00 50.48 ? 605 CLA B CBB 1 ? ? +53358 HETATM N NC . CLA DR 33 . ? -13.591 -26.697 -16.466 1.00 47.89 ? 605 CLA B NC 1 ? ? +53359 HETATM C C1C . CLA DR 33 . ? -14.059 -27.043 -15.237 1.00 48.29 ? 605 CLA B C1C 1 ? ? +53360 HETATM C C2C . CLA DR 33 . ? -13.148 -27.826 -14.364 1.00 48.17 ? 605 CLA B C2C 1 ? ? +53361 HETATM C C3C . CLA DR 33 . ? -11.904 -27.881 -15.111 1.00 47.67 ? 605 CLA B C3C 1 ? ? +53362 HETATM C C4C . CLA DR 33 . ? -12.279 -27.129 -16.317 1.00 47.47 ? 605 CLA B C4C 1 ? ? +53363 HETATM C CMC . CLA DR 33 . ? -13.382 -28.405 -13.013 1.00 48.64 ? 605 CLA B CMC 1 ? ? +53364 HETATM C CAC . CLA DR 33 . ? -10.573 -28.525 -14.732 1.00 47.31 ? 605 CLA B CAC 1 ? ? +53365 HETATM C CBC . CLA DR 33 . ? -10.507 -29.961 -15.176 1.00 47.49 ? 605 CLA B CBC 1 ? ? +53366 HETATM N ND . CLA DR 33 . ? -12.952 -26.366 -19.028 1.00 47.36 ? 605 CLA B ND 1 ? ? +53367 HETATM C C1D . CLA DR 33 . ? -11.564 -26.654 -18.655 1.00 46.78 ? 605 CLA B C1D 1 ? ? +53368 HETATM C C2D . CLA DR 33 . ? -10.654 -26.714 -19.823 1.00 46.35 ? 605 CLA B C2D 1 ? ? +53369 HETATM C C3D . CLA DR 33 . ? -11.530 -26.202 -20.864 1.00 46.47 ? 605 CLA B C3D 1 ? ? +53370 HETATM C C4D . CLA DR 33 . ? -12.710 -25.931 -20.308 1.00 47.00 ? 605 CLA B C4D 1 ? ? +53371 HETATM C CMD . CLA DR 33 . ? -9.212 -27.038 -20.072 1.00 45.88 ? 605 CLA B CMD 1 ? ? +53372 HETATM C CAD . CLA DR 33 . ? -11.586 -25.849 -22.298 1.00 46.39 ? 605 CLA B CAD 1 ? ? +53373 HETATM O OBD . CLA DR 33 . ? -10.637 -25.890 -23.152 1.00 45.96 ? 605 CLA B OBD 1 ? ? +53374 HETATM C CBD . CLA DR 33 . ? -12.970 -25.348 -22.600 1.00 46.84 ? 605 CLA B CBD 1 ? ? +53375 HETATM C CGD . CLA DR 33 . ? -12.888 -23.872 -22.859 1.00 46.76 ? 605 CLA B CGD 1 ? ? +53376 HETATM O O1D . CLA DR 33 . ? -13.399 -23.335 -23.822 1.00 47.03 ? 605 CLA B O1D 1 ? ? +53377 HETATM O O2D . CLA DR 33 . ? -12.169 -23.021 -21.940 1.00 46.62 ? 605 CLA B O2D 1 ? ? +53378 HETATM C CED . CLA DR 33 . ? -12.198 -21.597 -22.074 1.00 46.51 ? 605 CLA B CED 1 ? ? +53379 HETATM C C1 . CLA DR 33 . ? -16.274 -30.811 -23.224 1.00 50.13 ? 605 CLA B C1 1 ? ? +53380 HETATM C C2 . CLA DR 33 . ? -16.366 -31.963 -22.279 1.00 50.96 ? 605 CLA B C2 1 ? ? +53381 HETATM C C3 . CLA DR 33 . ? -16.455 -33.237 -22.668 1.00 51.76 ? 605 CLA B C3 1 ? ? +53382 HETATM C C4 . CLA DR 33 . ? -16.427 -33.639 -24.118 1.00 51.46 ? 605 CLA B C4 1 ? ? +53383 HETATM C C5 . CLA DR 33 . ? -16.514 -34.224 -21.535 1.00 52.81 ? 605 CLA B C5 1 ? ? +53384 HETATM C C6 . CLA DR 33 . ? -16.496 -35.667 -22.004 1.00 53.58 ? 605 CLA B C6 1 ? ? +53385 HETATM C C7 . CLA DR 33 . ? -16.636 -36.564 -20.787 1.00 54.45 ? 605 CLA B C7 1 ? ? +53386 HETATM C C8 . CLA DR 33 . ? -16.415 -38.036 -21.102 1.00 54.94 ? 605 CLA B C8 1 ? ? +53387 HETATM C C9 . CLA DR 33 . ? -16.084 -38.542 -22.493 1.00 55.03 ? 605 CLA B C9 1 ? ? +53388 HETATM C C10 . CLA DR 33 . ? -16.377 -38.914 -19.871 1.00 55.33 ? 605 CLA B C10 1 ? ? +53389 HETATM C C11 . CLA DR 33 . ? -15.924 -40.331 -20.171 1.00 55.23 ? 605 CLA B C11 1 ? ? +53390 HETATM C C12 . CLA DR 33 . ? -15.915 -41.124 -18.876 1.00 55.35 ? 605 CLA B C12 1 ? ? +53391 HETATM C C13 . CLA DR 33 . ? -17.320 -41.381 -18.323 1.00 55.68 ? 605 CLA B C13 1 ? ? +53392 HETATM C C14 . CLA DR 33 . ? -17.173 -41.398 -16.814 1.00 55.86 ? 605 CLA B C14 1 ? ? +53393 HETATM C C15 . CLA DR 33 . ? -17.860 -42.679 -18.889 1.00 55.94 ? 605 CLA B C15 1 ? ? +53394 HETATM C C16 . CLA DR 33 . ? -19.182 -43.179 -18.269 1.00 56.64 ? 605 CLA B C16 1 ? ? +53395 HETATM C C17 . CLA DR 33 . ? -20.311 -42.215 -18.565 1.00 56.71 ? 605 CLA B C17 1 ? ? +53396 HETATM C C18 . CLA DR 33 . ? -21.683 -42.822 -18.870 1.00 57.38 ? 605 CLA B C18 1 ? ? +53397 HETATM C C19 . CLA DR 33 . ? -21.937 -44.289 -19.219 1.00 57.92 ? 605 CLA B C19 1 ? ? +53398 HETATM C C20 . CLA DR 33 . ? -22.896 -41.932 -18.603 1.00 57.78 ? 605 CLA B C20 1 ? ? +53399 HETATM C C1B . LMT DS 37 . ? 0.085 -5.519 -31.273 1.00 123.66 ? 631 LMT B C1B 1 ? ? +53400 HETATM O O1B . LMT DS 37 . ? -1.151 -5.686 -30.615 1.00 136.80 ? 631 LMT B O1B 1 ? ? +53401 HETATM C C1' . LMT DS 37 . ? -2.424 -7.506 -27.035 1.00 119.30 ? 631 LMT B C1' 1 ? ? +53402 HETATM C C2' . LMT DS 37 . ? -2.009 -6.037 -26.996 1.00 128.51 ? 631 LMT B C2' 1 ? ? +53403 HETATM C C3' . LMT DS 37 . ? -2.059 -5.444 -28.393 1.00 134.66 ? 631 LMT B C3' 1 ? ? +53404 HETATM C C4' . LMT DS 37 . ? -1.173 -6.281 -29.304 1.00 136.87 ? 631 LMT B C4' 1 ? ? +53405 HETATM C C5' . LMT DS 37 . ? -1.720 -7.708 -29.386 1.00 134.14 ? 631 LMT B C5' 1 ? ? +53406 HETATM C C6' . LMT DS 37 . ? -0.672 -8.783 -29.209 1.00 135.78 ? 631 LMT B C6' 1 ? ? +53407 HETATM O O1' . LMT DS 37 . ? -1.385 -8.293 -26.521 1.00 100.29 ? 631 LMT B O1' 1 ? ? +53408 HETATM O O2' . LMT DS 37 . ? -2.848 -5.316 -26.096 1.00 133.59 ? 631 LMT B O2' 1 ? ? +53409 HETATM O O3' . LMT DS 37 . ? -1.641 -4.079 -28.377 1.00 134.64 ? 631 LMT B O3' 1 ? ? +53410 HETATM O O5' . LMT DS 37 . ? -2.735 -7.934 -28.358 1.00 126.11 ? 631 LMT B O5' 1 ? ? +53411 HETATM O O6' . LMT DS 37 . ? -0.140 -9.192 -30.467 1.00 139.41 ? 631 LMT B O6' 1 ? ? +53412 HETATM C C1 . LMT DS 37 . ? -1.359 -8.354 -25.085 1.00 86.98 ? 631 LMT B C1 1 ? ? +53413 HETATM C C2 . LMT DS 37 . ? -1.840 -9.694 -24.650 1.00 80.48 ? 631 LMT B C2 1 ? ? +53414 HETATM C C3 . LMT DS 37 . ? -2.676 -9.622 -23.407 1.00 76.31 ? 631 LMT B C3 1 ? ? +53415 HETATM C C4 . LMT DS 37 . ? -2.626 -10.869 -22.585 1.00 73.94 ? 631 LMT B C4 1 ? ? +53416 HETATM C C5 . LMT DS 37 . ? -3.798 -11.021 -21.668 1.00 74.85 ? 631 LMT B C5 1 ? ? +53417 HETATM C C6 . LMT DS 37 . ? -3.436 -11.240 -20.236 1.00 75.76 ? 631 LMT B C6 1 ? ? +53418 HETATM C C7 . LMT DS 37 . ? -3.381 -12.688 -19.829 1.00 76.65 ? 631 LMT B C7 1 ? ? +53419 HETATM C C8 . LMT DS 37 . ? -3.356 -12.889 -18.332 1.00 76.99 ? 631 LMT B C8 1 ? ? +53420 HETATM C C9 . LMT DS 37 . ? -2.972 -14.276 -17.890 1.00 76.79 ? 631 LMT B C9 1 ? ? +53421 HETATM C C10 . LMT DS 37 . ? -2.391 -14.334 -16.497 1.00 77.31 ? 631 LMT B C10 1 ? ? +53422 HETATM C C11 . LMT DS 37 . ? -0.884 -14.426 -16.452 1.00 75.96 ? 631 LMT B C11 1 ? ? +53423 HETATM C C12 . LMT DS 37 . ? -0.372 -14.519 -15.040 1.00 76.61 ? 631 LMT B C12 1 ? ? +53424 HETATM MG MG A CLA DT 33 . ? 13.971 -43.331 -41.856 0.40 43.00 ? 402 CLA D MG 1 ? ? +53425 HETATM MG MG B CLA DT 33 . ? 14.021 -43.448 -41.912 0.60 42.93 ? 402 CLA D MG 1 ? ? +53426 HETATM C CHA A CLA DT 33 . ? 11.101 -45.123 -41.068 0.40 43.54 ? 402 CLA D CHA 1 ? ? +53427 HETATM C CHA B CLA DT 33 . ? 11.099 -45.116 -41.010 0.60 43.52 ? 402 CLA D CHA 1 ? ? +53428 HETATM C CHB A CLA DT 33 . ? 15.690 -45.437 -39.736 0.40 43.44 ? 402 CLA D CHB 1 ? ? +53429 HETATM C CHB B CLA DT 33 . ? 15.733 -45.473 -39.745 0.60 43.35 ? 402 CLA D CHB 1 ? ? +53430 HETATM C CHC A CLA DT 33 . ? 17.012 -42.579 -43.484 0.40 42.90 ? 402 CLA D CHC 1 ? ? +53431 HETATM C CHC B CLA DT 33 . ? 17.023 -42.676 -43.558 0.60 42.79 ? 402 CLA D CHC 1 ? ? +53432 HETATM C CHD A CLA DT 33 . ? 12.372 -42.471 -45.015 0.40 43.01 ? 402 CLA D CHD 1 ? ? +53433 HETATM C CHD B CLA DT 33 . ? 12.342 -42.544 -44.992 0.60 42.91 ? 402 CLA D CHD 1 ? ? +53434 HETATM N NA A CLA DT 33 . ? 13.514 -44.857 -40.616 0.40 43.42 ? 402 CLA D NA 1 ? ? +53435 HETATM N NA B CLA DT 33 . ? 13.535 -44.909 -40.613 0.60 43.38 ? 402 CLA D NA 1 ? ? +53436 HETATM C C1A A CLA DT 33 . ? 12.336 -45.346 -40.323 0.40 43.64 ? 402 CLA D C1A 1 ? ? +53437 HETATM C C1A B CLA DT 33 . ? 12.344 -45.358 -40.285 0.60 43.62 ? 402 CLA D C1A 1 ? ? +53438 HETATM C C2A A CLA DT 33 . ? 12.226 -46.065 -39.014 0.40 43.93 ? 402 CLA D C2A 1 ? ? +53439 HETATM C C2A B CLA DT 33 . ? 12.252 -46.067 -38.972 0.60 43.96 ? 402 CLA D C2A 1 ? ? +53440 HETATM C C3A A CLA DT 33 . ? 13.635 -45.945 -38.514 0.40 43.77 ? 402 CLA D C3A 1 ? ? +53441 HETATM C C3A B CLA DT 33 . ? 13.667 -45.928 -38.487 0.60 43.75 ? 402 CLA D C3A 1 ? ? +53442 HETATM C C4A A CLA DT 33 . ? 14.358 -45.398 -39.712 0.40 43.54 ? 402 CLA D C4A 1 ? ? +53443 HETATM C C4A B CLA DT 33 . ? 14.392 -45.425 -39.705 0.60 43.51 ? 402 CLA D C4A 1 ? ? +53444 HETATM C CMA A CLA DT 33 . ? 13.737 -44.972 -37.340 0.40 43.54 ? 402 CLA D CMA 1 ? ? +53445 HETATM C CMA B CLA DT 33 . ? 13.773 -44.930 -37.334 0.60 43.53 ? 402 CLA D CMA 1 ? ? +53446 HETATM C CAA A CLA DT 33 . ? 11.767 -47.504 -39.182 0.40 44.56 ? 402 CLA D CAA 1 ? ? +53447 HETATM C CAA B CLA DT 33 . ? 11.824 -47.514 -39.141 0.60 44.67 ? 402 CLA D CAA 1 ? ? +53448 HETATM C CBA A CLA DT 33 . ? 11.775 -48.289 -37.877 0.40 45.01 ? 402 CLA D CBA 1 ? ? +53449 HETATM C CBA B CLA DT 33 . ? 11.725 -48.279 -37.831 0.60 45.22 ? 402 CLA D CBA 1 ? ? +53450 HETATM C CGA A CLA DT 33 . ? 11.487 -49.745 -38.162 0.40 45.70 ? 402 CLA D CGA 1 ? ? +53451 HETATM C CGA B CLA DT 33 . ? 11.541 -49.739 -38.149 0.60 46.04 ? 402 CLA D CGA 1 ? ? +53452 HETATM O O1A A CLA DT 33 . ? 12.256 -50.622 -37.834 0.40 46.04 ? 402 CLA D O1A 1 ? ? +53453 HETATM O O1A B CLA DT 33 . ? 12.449 -50.528 -38.027 0.60 46.44 ? 402 CLA D O1A 1 ? ? +53454 HETATM O O2A A CLA DT 33 . ? 10.289 -50.160 -38.842 0.40 46.31 ? 402 CLA D O2A 1 ? ? +53455 HETATM O O2A B CLA DT 33 . ? 10.287 -50.240 -38.627 0.60 46.86 ? 402 CLA D O2A 1 ? ? +53456 HETATM N NB A CLA DT 33 . ? 15.951 -43.931 -41.669 0.40 43.12 ? 402 CLA D NB 1 ? ? +53457 HETATM N NB B CLA DT 33 . ? 16.008 -44.024 -41.716 0.60 43.01 ? 402 CLA D NB 1 ? ? +53458 HETATM C C1B A CLA DT 33 . ? 16.512 -44.722 -40.713 0.40 43.25 ? 402 CLA D C1B 1 ? ? +53459 HETATM C C1B B CLA DT 33 . ? 16.567 -44.780 -40.737 0.60 43.15 ? 402 CLA D C1B 1 ? ? +53460 HETATM C C2B A CLA DT 33 . ? 18.003 -44.900 -40.755 0.40 43.31 ? 402 CLA D C2B 1 ? ? +53461 HETATM C C2B B CLA DT 33 . ? 18.070 -44.931 -40.761 0.60 43.18 ? 402 CLA D C2B 1 ? ? +53462 HETATM C C3B A CLA DT 33 . ? 18.331 -44.045 -41.888 0.40 43.18 ? 402 CLA D C3B 1 ? ? +53463 HETATM C C3B B CLA DT 33 . ? 18.391 -44.104 -41.926 0.60 43.07 ? 402 CLA D C3B 1 ? ? +53464 HETATM C C4B A CLA DT 33 . ? 17.048 -43.466 -42.322 0.40 43.03 ? 402 CLA D C4B 1 ? ? +53465 HETATM C C4B B CLA DT 33 . ? 17.095 -43.552 -42.378 0.60 42.91 ? 402 CLA D C4B 1 ? ? +53466 HETATM C CMB A CLA DT 33 . ? 18.892 -45.728 -39.867 0.40 43.48 ? 402 CLA D CMB 1 ? ? +53467 HETATM C CMB B CLA DT 33 . ? 18.936 -45.743 -39.829 0.60 43.32 ? 402 CLA D CMB 1 ? ? +53468 HETATM C CAB A CLA DT 33 . ? 19.644 -43.721 -42.489 0.40 43.22 ? 402 CLA D CAB 1 ? ? +53469 HETATM C CAB B CLA DT 33 . ? 19.683 -43.714 -42.543 0.60 43.12 ? 402 CLA D CAB 1 ? ? +53470 HETATM C CBB A CLA DT 33 . ? 20.756 -44.175 -41.956 0.40 43.40 ? 402 CLA D CBB 1 ? ? +53471 HETATM C CBB B CLA DT 33 . ? 20.842 -43.924 -41.966 0.60 43.24 ? 402 CLA D CBB 1 ? ? +53472 HETATM N NC A CLA DT 33 . ? 14.542 -42.739 -43.775 0.40 42.94 ? 402 CLA D NC 1 ? ? +53473 HETATM N NC B CLA DT 33 . ? 14.543 -42.836 -43.826 0.60 42.83 ? 402 CLA D NC 1 ? ? +53474 HETATM C C1C A CLA DT 33 . ? 15.778 -42.355 -44.224 0.40 42.93 ? 402 CLA D C1C 1 ? ? +53475 HETATM C C1C B CLA DT 33 . ? 15.776 -42.441 -44.278 0.60 42.82 ? 402 CLA D C1C 1 ? ? +53476 HETATM C C2C A CLA DT 33 . ? 15.904 -41.834 -45.607 0.40 42.92 ? 402 CLA D C2C 1 ? ? +53477 HETATM C C2C B CLA DT 33 . ? 15.877 -41.878 -45.643 0.60 42.79 ? 402 CLA D C2C 1 ? ? +53478 HETATM C C3C A CLA DT 33 . ? 14.520 -41.818 -46.032 0.40 42.94 ? 402 CLA D C3C 1 ? ? +53479 HETATM C C3C B CLA DT 33 . ? 14.486 -41.852 -46.043 0.60 42.78 ? 402 CLA D C3C 1 ? ? +53480 HETATM C C4C A CLA DT 33 . ? 13.811 -42.310 -44.848 0.40 42.94 ? 402 CLA D C4C 1 ? ? +53481 HETATM C C4C B CLA DT 33 . ? 13.791 -42.383 -44.868 0.60 42.83 ? 402 CLA D C4C 1 ? ? +53482 HETATM C CMC A CLA DT 33 . ? 17.126 -41.393 -46.364 0.40 42.93 ? 402 CLA D CMC 1 ? ? +53483 HETATM C CMC B CLA DT 33 . ? 17.089 -41.412 -46.403 0.60 42.81 ? 402 CLA D CMC 1 ? ? +53484 HETATM C CAC A CLA DT 33 . ? 13.892 -41.316 -47.295 0.40 42.99 ? 402 CLA D CAC 1 ? ? +53485 HETATM C CAC B CLA DT 33 . ? 13.856 -41.309 -47.290 0.60 42.81 ? 402 CLA D CAC 1 ? ? +53486 HETATM C CBC A CLA DT 33 . ? 13.163 -40.058 -46.792 0.40 42.76 ? 402 CLA D CBC 1 ? ? +53487 HETATM C CBC B CLA DT 33 . ? 13.189 -40.015 -46.766 0.60 42.55 ? 402 CLA D CBC 1 ? ? +53488 HETATM N ND A CLA DT 33 . ? 12.336 -43.946 -42.951 0.40 43.24 ? 402 CLA D ND 1 ? ? +53489 HETATM N ND B CLA DT 33 . ? 12.311 -43.997 -42.928 0.60 43.17 ? 402 CLA D ND 1 ? ? +53490 HETATM C C1D A CLA DT 33 . ? 11.631 -43.198 -44.014 0.40 43.11 ? 402 CLA D C1D 1 ? ? +53491 HETATM C C1D B CLA DT 33 . ? 11.610 -43.241 -43.976 0.60 43.03 ? 402 CLA D C1D 1 ? ? +53492 HETATM C C2D A CLA DT 33 . ? 10.154 -43.428 -44.033 0.40 43.27 ? 402 CLA D C2D 1 ? ? +53493 HETATM C C2D B CLA DT 33 . ? 10.134 -43.450 -43.984 0.60 43.23 ? 402 CLA D C2D 1 ? ? +53494 HETATM C C3D A CLA DT 33 . ? 10.006 -44.190 -42.799 0.40 43.42 ? 402 CLA D C3D 1 ? ? +53495 HETATM C C3D B CLA DT 33 . ? 9.987 -44.190 -42.738 0.60 43.38 ? 402 CLA D C3D 1 ? ? +53496 HETATM C C4D A CLA DT 33 . ? 11.213 -44.296 -42.223 0.40 43.34 ? 402 CLA D C4D 1 ? ? +53497 HETATM C C4D B CLA DT 33 . ? 11.199 -44.303 -42.173 0.60 43.29 ? 402 CLA D C4D 1 ? ? +53498 HETATM C CMD A CLA DT 33 . ? 8.986 -43.054 -44.893 0.40 43.32 ? 402 CLA D CMD 1 ? ? +53499 HETATM C CMD B CLA DT 33 . ? 8.976 -43.060 -44.844 0.60 43.27 ? 402 CLA D CMD 1 ? ? +53500 HETATM C CAD A CLA DT 33 . ? 8.976 -44.836 -41.953 0.40 43.65 ? 402 CLA D CAD 1 ? ? +53501 HETATM C CAD B CLA DT 33 . ? 8.960 -44.815 -41.878 0.60 43.63 ? 402 CLA D CAD 1 ? ? +53502 HETATM O OBD A CLA DT 33 . ? 7.714 -44.867 -42.165 0.40 43.77 ? 402 CLA D OBD 1 ? ? +53503 HETATM O OBD B CLA DT 33 . ? 7.696 -44.838 -42.064 0.60 43.75 ? 402 CLA D OBD 1 ? ? +53504 HETATM C CBD A CLA DT 33 . ? 9.667 -45.429 -40.771 0.40 43.70 ? 402 CLA D CBD 1 ? ? +53505 HETATM C CBD B CLA DT 33 . ? 9.661 -45.397 -40.700 0.60 43.70 ? 402 CLA D CBD 1 ? ? +53506 HETATM C CGD A CLA DT 33 . ? 9.154 -44.700 -39.565 0.40 43.54 ? 402 CLA D CGD 1 ? ? +53507 HETATM C CGD B CLA DT 33 . ? 9.142 -44.638 -39.518 0.60 43.52 ? 402 CLA D CGD 1 ? ? +53508 HETATM O O1D A CLA DT 33 . ? 9.595 -43.606 -39.231 0.40 43.21 ? 402 CLA D O1D 1 ? ? +53509 HETATM O O1D B CLA DT 33 . ? 9.547 -43.516 -39.213 0.60 43.15 ? 402 CLA D O1D 1 ? ? +53510 HETATM O O2D A CLA DT 33 . ? 8.083 -45.292 -38.791 0.40 43.76 ? 402 CLA D O2D 1 ? ? +53511 HETATM O O2D B CLA DT 33 . ? 8.088 -45.263 -38.750 0.60 43.73 ? 402 CLA D O2D 1 ? ? +53512 HETATM C CED A CLA DT 33 . ? 7.529 -44.554 -37.700 0.40 43.65 ? 402 CLA D CED 1 ? ? +53513 HETATM C CED B CLA DT 33 . ? 7.522 -44.541 -37.659 0.60 43.64 ? 402 CLA D CED 1 ? ? +53514 HETATM C C1 A CLA DT 33 . ? 10.134 -51.530 -39.222 0.40 47.03 ? 402 CLA D C1 1 ? ? +53515 HETATM C C1 B CLA DT 33 . ? 10.165 -51.557 -39.170 0.60 47.72 ? 402 CLA D C1 1 ? ? +53516 HETATM C C2 A CLA DT 33 . ? 8.665 -51.913 -39.144 0.40 47.56 ? 402 CLA D C2 1 ? ? +53517 HETATM C C2 B CLA DT 33 . ? 8.699 -51.959 -39.070 0.60 48.40 ? 402 CLA D C2 1 ? ? +53518 HETATM C C3 A CLA DT 33 . ? 8.120 -52.211 -37.955 0.40 48.04 ? 402 CLA D C3 1 ? ? +53519 HETATM C C3 B CLA DT 33 . ? 8.151 -52.274 -37.881 0.60 49.07 ? 402 CLA D C3 1 ? ? +53520 HETATM C C4 A CLA DT 33 . ? 9.001 -52.152 -36.745 0.40 48.01 ? 402 CLA D C4 1 ? ? +53521 HETATM C C4 B CLA DT 33 . ? 9.009 -52.244 -36.647 0.60 49.07 ? 402 CLA D C4 1 ? ? +53522 HETATM C C5 A CLA DT 33 . ? 6.661 -52.591 -37.820 0.40 48.56 ? 402 CLA D C5 1 ? ? +53523 HETATM C C5 B CLA DT 33 . ? 6.689 -52.659 -37.777 0.60 49.70 ? 402 CLA D C5 1 ? ? +53524 HETATM C C6 A CLA DT 33 . ? 6.500 -53.866 -36.989 0.40 49.17 ? 402 CLA D C6 1 ? ? +53525 HETATM C C6 B CLA DT 33 . ? 6.480 -53.955 -36.990 0.60 50.42 ? 402 CLA D C6 1 ? ? +53526 HETATM C C7 A CLA DT 33 . ? 7.100 -54.994 -37.805 0.40 49.64 ? 402 CLA D C7 1 ? ? +53527 HETATM C C7 B CLA DT 33 . ? 7.109 -55.082 -37.779 0.60 51.03 ? 402 CLA D C7 1 ? ? +53528 HETATM C C8 A CLA DT 33 . ? 7.138 -56.407 -37.227 0.40 50.31 ? 402 CLA D C8 1 ? ? +53529 HETATM C C8 B CLA DT 33 . ? 7.159 -56.475 -37.166 0.60 51.81 ? 402 CLA D C8 1 ? ? +53530 HETATM C C9 A CLA DT 33 . ? 6.970 -56.765 -35.761 0.40 50.52 ? 402 CLA D C9 1 ? ? +53531 HETATM C C9 B CLA DT 33 . ? 6.921 -56.804 -35.705 0.60 52.03 ? 402 CLA D C9 1 ? ? +53532 HETATM C C10 A CLA DT 33 . ? 7.202 -57.470 -38.312 0.40 50.91 ? 402 CLA D C10 1 ? ? +53533 HETATM C C10 B CLA DT 33 . ? 7.347 -57.538 -38.228 0.60 52.59 ? 402 CLA D C10 1 ? ? +53534 HETATM C C11 A CLA DT 33 . ? 6.895 -58.903 -37.932 0.40 51.74 ? 402 CLA D C11 1 ? ? +53535 HETATM C C11 B CLA DT 33 . ? 6.924 -58.954 -37.925 0.60 53.64 ? 402 CLA D C11 1 ? ? +53536 HETATM C C12 A CLA DT 33 . ? 7.090 -59.659 -39.237 0.40 52.27 ? 402 CLA D C12 1 ? ? +53537 HETATM C C12 B CLA DT 33 . ? 7.113 -59.673 -39.252 0.60 54.49 ? 402 CLA D C12 1 ? ? +53538 HETATM C C13 A CLA DT 33 . ? 6.914 -61.158 -39.123 0.40 53.23 ? 402 CLA D C13 1 ? ? +53539 HETATM C C13 B CLA DT 33 . ? 6.969 -61.171 -39.147 0.60 55.83 ? 402 CLA D C13 1 ? ? +53540 HETATM C C14 A CLA DT 33 . ? 8.080 -61.798 -38.388 0.40 53.50 ? 402 CLA D C14 1 ? ? +53541 HETATM C C14 B CLA DT 33 . ? 8.176 -61.763 -38.447 0.60 56.37 ? 402 CLA D C14 1 ? ? +53542 HETATM C C15 A CLA DT 33 . ? 6.778 -61.733 -40.530 0.40 53.74 ? 402 CLA D C15 1 ? ? +53543 HETATM C C15 B CLA DT 33 . ? 6.834 -61.768 -40.542 0.60 56.63 ? 402 CLA D C15 1 ? ? +53544 HETATM C C16 A CLA DT 33 . ? 8.028 -61.699 -41.434 0.40 53.80 ? 402 CLA D C16 1 ? ? +53545 HETATM C C16 B CLA DT 33 . ? 8.075 -61.687 -41.464 0.60 56.86 ? 402 CLA D C16 1 ? ? +53546 HETATM C C17 A CLA DT 33 . ? 7.478 -62.139 -42.796 0.40 54.32 ? 402 CLA D C17 1 ? ? +53547 HETATM C C17 B CLA DT 33 . ? 7.555 -62.182 -42.820 0.60 57.69 ? 402 CLA D C17 1 ? ? +53548 HETATM C C18 A CLA DT 33 . ? 8.343 -62.172 -44.064 0.40 54.34 ? 402 CLA D C18 1 ? ? +53549 HETATM C C18 B CLA DT 33 . ? 8.448 -62.217 -44.064 0.60 57.78 ? 402 CLA D C18 1 ? ? +53550 HETATM C C19 A CLA DT 33 . ? 9.314 -61.062 -44.436 0.40 53.83 ? 402 CLA D C19 1 ? ? +53551 HETATM C C19 B CLA DT 33 . ? 9.425 -61.106 -44.402 0.60 57.27 ? 402 CLA D C19 1 ? ? +53552 HETATM C C20 A CLA DT 33 . ? 8.349 -63.476 -44.870 0.40 54.98 ? 402 CLA D C20 1 ? ? +53553 HETATM C C20 B CLA DT 33 . ? 8.452 -63.513 -44.881 0.60 58.56 ? 402 CLA D C20 1 ? ? +53554 HETATM CA CA . CA DU 31 . ? 53.202 2.365 -77.854 1.00 94.84 2 301 CA O CA 1 ? ? +53555 HETATM C C1 . GOL DV 38 . ? 4.239 0.974 -23.004 1.00 74.63 ? 417 GOL a C1 1 ? ? +53556 HETATM O O1 . GOL DV 38 . ? 5.380 1.662 -23.512 1.00 69.52 ? 417 GOL a O1 1 ? ? +53557 HETATM C C2 . GOL DV 38 . ? 4.220 -0.512 -23.332 1.00 76.53 ? 417 GOL a C2 1 ? ? +53558 HETATM O O2 . GOL DV 38 . ? 5.156 -1.228 -22.520 1.00 78.15 ? 417 GOL a O2 1 ? ? +53559 HETATM C C3 . GOL DV 38 . ? 2.839 -1.113 -23.157 1.00 81.80 ? 417 GOL a C3 1 ? ? +53560 HETATM O O3 . GOL DV 38 . ? 2.724 -2.422 -23.713 1.00 86.82 ? 417 GOL a O3 1 ? ? +53561 HETATM C C1 . HTG DW 35 . ? 47.498 -14.817 -41.429 1.00 76.78 ? 625 HTG b C1 1 ? ? +53562 HETATM S S1 . HTG DW 35 . ? 47.504 -16.359 -40.493 1.00 77.17 ? 625 HTG b S1 1 ? ? +53563 HETATM C C2 . HTG DW 35 . ? 48.911 -14.410 -41.805 1.00 77.43 ? 625 HTG b C2 1 ? ? +53564 HETATM O O2 . HTG DW 35 . ? 49.752 -14.366 -40.659 1.00 76.58 ? 625 HTG b O2 1 ? ? +53565 HETATM C C3 . HTG DW 35 . ? 48.828 -13.041 -42.465 1.00 78.30 ? 625 HTG b C3 1 ? ? +53566 HETATM O O3 . HTG DW 35 . ? 50.124 -12.586 -42.835 1.00 78.29 ? 625 HTG b O3 1 ? ? +53567 HETATM C C4 . HTG DW 35 . ? 47.935 -13.100 -43.692 1.00 79.04 ? 625 HTG b C4 1 ? ? +53568 HETATM O O4 . HTG DW 35 . ? 47.670 -11.773 -44.145 1.00 80.11 ? 625 HTG b O4 1 ? ? +53569 HETATM C C5 . HTG DW 35 . ? 46.589 -13.806 -43.419 1.00 78.13 ? 625 HTG b C5 1 ? ? +53570 HETATM O O5 . HTG DW 35 . ? 46.739 -14.990 -42.614 1.00 75.94 ? 625 HTG b O5 1 ? ? +53571 HETATM C C6 . HTG DW 35 . ? 45.936 -14.272 -44.708 1.00 79.38 ? 625 HTG b C6 1 ? ? +53572 HETATM O O6 . HTG DW 35 . ? 45.486 -13.169 -45.478 1.00 81.14 ? 625 HTG b O6 1 ? ? +53573 HETATM C C1' . HTG DW 35 . ? 45.728 -16.692 -40.366 1.00 72.71 ? 625 HTG b C1' 1 ? ? +53574 HETATM C C2' . HTG DW 35 . ? 45.516 -18.155 -40.082 1.00 72.18 ? 625 HTG b C2' 1 ? ? +53575 HETATM C C3' . HTG DW 35 . ? 44.998 -18.413 -38.695 1.00 71.59 ? 625 HTG b C3' 1 ? ? +53576 HETATM C C4' . HTG DW 35 . ? 44.397 -19.774 -38.556 1.00 71.53 ? 625 HTG b C4' 1 ? ? +53577 HETATM C C5' . HTG DW 35 . ? 44.046 -20.140 -37.148 1.00 72.50 ? 625 HTG b C5' 1 ? ? +53578 HETATM C C6' . HTG DW 35 . ? 43.793 -21.607 -36.958 1.00 74.42 ? 625 HTG b C6' 1 ? ? +53579 HETATM C C7' . HTG DW 35 . ? 43.885 -22.042 -35.518 1.00 76.46 ? 625 HTG b C7' 1 ? ? +53580 HETATM C C1 . HTG DX 35 . ? -30.929 45.396 20.421 1.00 119.70 ? 522 HTG c C1 1 ? ? +53581 HETATM S S1 . HTG DX 35 . ? -29.914 44.100 21.187 1.00 120.79 ? 522 HTG c S1 1 ? ? +53582 HETATM C C2 . HTG DX 35 . ? -30.302 45.676 19.046 1.00 119.07 ? 522 HTG c C2 1 ? ? +53583 HETATM O O2 . HTG DX 35 . ? -29.011 46.255 19.206 1.00 118.63 ? 522 HTG c O2 1 ? ? +53584 HETATM C C3 . HTG DX 35 . ? -31.180 46.626 18.234 1.00 118.49 ? 522 HTG c C3 1 ? ? +53585 HETATM O O3 . HTG DX 35 . ? -30.651 46.786 16.919 1.00 116.01 ? 522 HTG c O3 1 ? ? +53586 HETATM C C4 . HTG DX 35 . ? -32.602 46.108 18.171 1.00 117.63 ? 522 HTG c C4 1 ? ? +53587 HETATM O O4 . HTG DX 35 . ? -33.448 47.023 17.469 1.00 117.48 ? 522 HTG c O4 1 ? ? +53588 HETATM C C5 . HTG DX 35 . ? -33.123 45.911 19.592 1.00 117.32 ? 522 HTG c C5 1 ? ? +53589 HETATM O O5 . HTG DX 35 . ? -32.284 44.975 20.297 1.00 117.18 ? 522 HTG c O5 1 ? ? +53590 HETATM C C6 . HTG DX 35 . ? -34.539 45.359 19.612 1.00 116.68 ? 522 HTG c C6 1 ? ? +53591 HETATM O O6 . HTG DX 35 . ? -35.317 45.967 20.635 1.00 117.68 ? 522 HTG c O6 1 ? ? +53592 HETATM C C1' . HTG DX 35 . ? -30.159 44.396 22.980 1.00 118.68 ? 522 HTG c C1' 1 ? ? +53593 HETATM C C2' . HTG DX 35 . ? -28.844 44.223 23.721 1.00 117.59 ? 522 HTG c C2' 1 ? ? +53594 HETATM C C3' . HTG DX 35 . ? -28.980 43.535 25.072 1.00 116.69 ? 522 HTG c C3' 1 ? ? +53595 HETATM C C4' . HTG DX 35 . ? -27.658 43.012 25.613 1.00 115.34 ? 522 HTG c C4' 1 ? ? +53596 HETATM C C5' . HTG DX 35 . ? -27.702 42.500 27.041 1.00 114.68 ? 522 HTG c C5' 1 ? ? +53597 HETATM C C6' . HTG DX 35 . ? -26.491 41.689 27.470 1.00 113.39 ? 522 HTG c C6' 1 ? ? +53598 HETATM C C7' . HTG DX 35 . ? -26.729 40.199 27.624 1.00 111.44 ? 522 HTG c C7' 1 ? ? +53599 HETATM C C1A . DGD DY 36 . ? 38.817 18.658 -12.289 1.00 61.23 ? 102 DGD h C1A 1 ? ? +53600 HETATM C C2A . DGD DY 36 . ? 38.989 19.018 -10.836 1.00 62.17 ? 102 DGD h C2A 1 ? ? +53601 HETATM C C3A . DGD DY 36 . ? 39.186 17.765 -9.991 1.00 62.39 ? 102 DGD h C3A 1 ? ? +53602 HETATM C C4A . DGD DY 36 . ? 39.120 18.094 -8.513 1.00 63.35 ? 102 DGD h C4A 1 ? ? +53603 HETATM C C5A . DGD DY 36 . ? 39.095 16.816 -7.687 1.00 63.90 ? 102 DGD h C5A 1 ? ? +53604 HETATM C C6A . DGD DY 36 . ? 39.287 17.178 -6.222 1.00 65.48 ? 102 DGD h C6A 1 ? ? +53605 HETATM C C7A . DGD DY 36 . ? 39.003 15.987 -5.319 1.00 66.31 ? 102 DGD h C7A 1 ? ? +53606 HETATM C C8A . DGD DY 36 . ? 39.268 16.343 -3.849 1.00 67.53 ? 102 DGD h C8A 1 ? ? +53607 HETATM C C9A . DGD DY 36 . ? 38.244 15.669 -2.919 1.00 67.24 ? 102 DGD h C9A 1 ? ? +53608 HETATM C CAA . DGD DY 36 . ? 38.510 14.169 -2.779 1.00 66.92 ? 102 DGD h CAA 1 ? ? +53609 HETATM C CBA . DGD DY 36 . ? 37.939 13.625 -1.475 1.00 66.68 ? 102 DGD h CBA 1 ? ? +53610 HETATM C CCA . DGD DY 36 . ? 36.725 12.737 -1.706 1.00 66.19 ? 102 DGD h CCA 1 ? ? +53611 HETATM C CDA . DGD DY 36 . ? 37.083 11.253 -1.806 1.00 65.76 ? 102 DGD h CDA 1 ? ? +53612 HETATM C CEA . DGD DY 36 . ? 36.008 10.399 -1.136 1.00 64.89 ? 102 DGD h CEA 1 ? ? +53613 HETATM C CFA . DGD DY 36 . ? 36.076 8.951 -1.603 1.00 64.24 ? 102 DGD h CFA 1 ? ? +53614 HETATM C CGA . DGD DY 36 . ? 35.409 8.743 -2.958 1.00 63.56 ? 102 DGD h CGA 1 ? ? +53615 HETATM O O1A . DGD DY 36 . ? 38.837 17.509 -12.662 1.00 60.45 ? 102 DGD h O1A 1 ? ? +53616 HETATM C C1B . DGD DY 36 . ? 41.313 17.976 -14.183 1.00 63.51 ? 102 DGD h C1B 1 ? ? +53617 HETATM C C2B . DGD DY 36 . ? 42.060 16.677 -13.992 1.00 64.23 ? 102 DGD h C2B 1 ? ? +53618 HETATM C C3B . DGD DY 36 . ? 41.127 15.561 -14.414 1.00 64.30 ? 102 DGD h C3B 1 ? ? +53619 HETATM C C4B . DGD DY 36 . ? 41.822 14.211 -14.521 1.00 65.14 ? 102 DGD h C4B 1 ? ? +53620 HETATM C C5B . DGD DY 36 . ? 41.676 13.392 -13.246 1.00 65.82 ? 102 DGD h C5B 1 ? ? +53621 HETATM C C6B . DGD DY 36 . ? 40.265 13.461 -12.686 1.00 65.53 ? 102 DGD h C6B 1 ? ? +53622 HETATM C C7B . DGD DY 36 . ? 40.073 12.412 -11.610 1.00 66.28 ? 102 DGD h C7B 1 ? ? +53623 HETATM C C8B . DGD DY 36 . ? 38.970 12.804 -10.628 1.00 67.15 ? 102 DGD h C8B 1 ? ? +53624 HETATM C C9B . DGD DY 36 . ? 37.688 13.314 -11.303 1.00 67.28 ? 102 DGD h C9B 1 ? ? +53625 HETATM C CAB . DGD DY 36 . ? 36.743 12.187 -11.661 1.00 67.52 ? 102 DGD h CAB 1 ? ? +53626 HETATM C CBB . DGD DY 36 . ? 35.411 12.773 -12.109 1.00 68.34 ? 102 DGD h CBB 1 ? ? +53627 HETATM C CCB . DGD DY 36 . ? 34.712 11.975 -13.205 1.00 68.50 ? 102 DGD h CCB 1 ? ? +53628 HETATM C CDB . DGD DY 36 . ? 34.342 12.960 -14.312 1.00 69.30 ? 102 DGD h CDB 1 ? ? +53629 HETATM C CEB . DGD DY 36 . ? 33.321 12.465 -15.312 1.00 67.93 ? 102 DGD h CEB 1 ? ? +53630 HETATM C CFB . DGD DY 36 . ? 31.968 12.403 -14.659 1.00 67.60 ? 102 DGD h CFB 1 ? ? +53631 HETATM C CGB . DGD DY 36 . ? 31.684 10.964 -14.262 1.00 68.02 ? 102 DGD h CGB 1 ? ? +53632 HETATM O O1B . DGD DY 36 . ? 41.445 18.919 -13.414 1.00 63.54 ? 102 DGD h O1B 1 ? ? +53633 HETATM O O1G . DGD DY 36 . ? 38.668 19.667 -13.306 1.00 61.35 ? 102 DGD h O1G 1 ? ? +53634 HETATM C C1G . DGD DY 36 . ? 38.458 19.258 -14.660 1.00 61.32 ? 102 DGD h C1G 1 ? ? +53635 HETATM C C2G . DGD DY 36 . ? 39.753 19.307 -15.450 1.00 62.15 ? 102 DGD h C2G 1 ? ? +53636 HETATM O O2G . DGD DY 36 . ? 40.414 18.065 -15.314 1.00 62.34 ? 102 DGD h O2G 1 ? ? +53637 HETATM C C3G . DGD DY 36 . ? 39.454 19.500 -16.921 1.00 62.13 ? 102 DGD h C3G 1 ? ? +53638 HETATM O O3G . DGD DY 36 . ? 39.134 20.866 -17.124 1.00 62.96 ? 102 DGD h O3G 1 ? ? +53639 HETATM C C1D . DGD DY 36 . ? 38.034 21.054 -18.002 1.00 63.08 ? 102 DGD h C1D 1 ? ? +53640 HETATM C C2D . DGD DY 36 . ? 37.522 22.478 -17.931 1.00 63.64 ? 102 DGD h C2D 1 ? ? +53641 HETATM O O2D . DGD DY 36 . ? 37.056 22.749 -16.612 1.00 63.77 ? 102 DGD h O2D 1 ? ? +53642 HETATM C C3D . DGD DY 36 . ? 36.346 22.614 -18.883 1.00 63.49 ? 102 DGD h C3D 1 ? ? +53643 HETATM O O3D . DGD DY 36 . ? 35.860 23.951 -18.854 1.00 63.97 ? 102 DGD h O3D 1 ? ? +53644 HETATM C C4D . DGD DY 36 . ? 36.745 22.208 -20.293 1.00 63.41 ? 102 DGD h C4D 1 ? ? +53645 HETATM O O4D . DGD DY 36 . ? 37.661 23.193 -20.755 1.00 64.02 ? 102 DGD h O4D 1 ? ? +53646 HETATM C C5D . DGD DY 36 . ? 37.320 20.794 -20.270 1.00 63.39 ? 102 DGD h C5D 1 ? ? +53647 HETATM O O5D . DGD DY 36 . ? 38.920 21.120 -21.996 1.00 66.61 ? 102 DGD h O5D 1 ? ? +53648 HETATM C C6D . DGD DY 36 . ? 37.773 20.329 -21.641 1.00 64.07 ? 102 DGD h C6D 1 ? ? +53649 HETATM O O6D . DGD DY 36 . ? 38.420 20.775 -19.348 1.00 63.59 ? 102 DGD h O6D 1 ? ? +53650 HETATM C C1E . DGD DY 36 . ? 39.622 20.614 -23.134 1.00 67.93 ? 102 DGD h C1E 1 ? ? +53651 HETATM C C2E . DGD DY 36 . ? 40.913 21.422 -23.353 1.00 69.35 ? 102 DGD h C2E 1 ? ? +53652 HETATM O O2E . DGD DY 36 . ? 41.702 21.542 -22.158 1.00 70.00 ? 102 DGD h O2E 1 ? ? +53653 HETATM C C3E . DGD DY 36 . ? 40.597 22.833 -23.825 1.00 70.14 ? 102 DGD h C3E 1 ? ? +53654 HETATM O O3E . DGD DY 36 . ? 41.815 23.517 -24.129 1.00 71.03 ? 102 DGD h O3E 1 ? ? +53655 HETATM C C4E . DGD DY 36 . ? 39.710 22.774 -25.061 1.00 70.02 ? 102 DGD h C4E 1 ? ? +53656 HETATM O O4E . DGD DY 36 . ? 40.444 22.187 -26.164 1.00 69.88 ? 102 DGD h O4E 1 ? ? +53657 HETATM C C5E . DGD DY 36 . ? 38.432 21.998 -24.687 1.00 69.03 ? 102 DGD h C5E 1 ? ? +53658 HETATM O O6E . DGD DY 36 . ? 38.747 20.653 -24.282 1.00 68.25 ? 102 DGD h O6E 1 ? ? +53659 HETATM C C6E . DGD DY 36 . ? 37.409 21.984 -25.807 1.00 68.41 ? 102 DGD h C6E 1 ? ? +53660 HETATM O O5E . DGD DY 36 . ? 37.591 20.798 -26.581 1.00 68.40 ? 102 DGD h O5E 1 ? ? +53661 HETATM MG MG . CLA DZ 33 . ? -24.958 -25.930 -19.663 1.00 53.06 ? 606 CLA B MG 1 ? ? +53662 HETATM C CHA . CLA DZ 33 . ? -24.834 -22.399 -19.458 1.00 52.80 ? 606 CLA B CHA 1 ? ? +53663 HETATM C CHB . CLA DZ 33 . ? -21.572 -25.841 -20.182 1.00 51.45 ? 606 CLA B CHB 1 ? ? +53664 HETATM C CHC . CLA DZ 33 . ? -24.483 -29.141 -18.088 1.00 53.48 ? 606 CLA B CHC 1 ? ? +53665 HETATM C CHD . CLA DZ 33 . ? -28.046 -25.801 -17.895 1.00 54.77 ? 606 CLA B CHD 1 ? ? +53666 HETATM N NA . CLA DZ 33 . ? -23.524 -24.458 -19.802 1.00 52.34 ? 606 CLA B NA 1 ? ? +53667 HETATM C C1A . CLA DZ 33 . ? -23.632 -23.144 -19.802 1.00 52.33 ? 606 CLA B C1A 1 ? ? +53668 HETATM C C2A . CLA DZ 33 . ? -22.430 -22.372 -20.337 1.00 51.83 ? 606 CLA B C2A 1 ? ? +53669 HETATM C C3A . CLA DZ 33 . ? -21.428 -23.473 -20.595 1.00 51.23 ? 606 CLA B C3A 1 ? ? +53670 HETATM C C4A . CLA DZ 33 . ? -22.213 -24.685 -20.159 1.00 51.76 ? 606 CLA B C4A 1 ? ? +53671 HETATM C CMA . CLA DZ 33 . ? -21.108 -23.521 -22.074 1.00 50.92 ? 606 CLA B CMA 1 ? ? +53672 HETATM C CAA . CLA DZ 33 . ? -21.893 -21.260 -19.440 1.00 51.83 ? 606 CLA B CAA 1 ? ? +53673 HETATM C CBA . CLA DZ 33 . ? -21.680 -21.752 -18.017 1.00 52.37 ? 606 CLA B CBA 1 ? ? +53674 HETATM C CGA . CLA DZ 33 . ? -20.228 -21.899 -17.610 1.00 52.43 ? 606 CLA B CGA 1 ? ? +53675 HETATM O O1A . CLA DZ 33 . ? -19.255 -21.711 -18.335 1.00 51.78 ? 606 CLA B O1A 1 ? ? +53676 HETATM O O2A . CLA DZ 33 . ? -19.967 -22.270 -16.256 1.00 53.71 ? 606 CLA B O2A 1 ? ? +53677 HETATM N NB . CLA DZ 33 . ? -23.389 -27.228 -19.173 1.00 52.55 ? 606 CLA B NB 1 ? ? +53678 HETATM C C1B . CLA DZ 33 . ? -22.095 -27.056 -19.583 1.00 51.86 ? 606 CLA B C1B 1 ? ? +53679 HETATM C C2B . CLA DZ 33 . ? -21.108 -28.092 -19.251 1.00 51.61 ? 606 CLA B C2B 1 ? ? +53680 HETATM C C3B . CLA DZ 33 . ? -21.954 -29.081 -18.619 1.00 52.28 ? 606 CLA B C3B 1 ? ? +53681 HETATM C C4B . CLA DZ 33 . ? -23.323 -28.492 -18.650 1.00 52.70 ? 606 CLA B C4B 1 ? ? +53682 HETATM C CMB . CLA DZ 33 . ? -19.617 -28.159 -19.502 1.00 50.91 ? 606 CLA B CMB 1 ? ? +53683 HETATM C CAB . CLA DZ 33 . ? -21.271 -30.308 -18.118 1.00 52.35 ? 606 CLA B CAB 1 ? ? +53684 HETATM C CBB . CLA DZ 33 . ? -21.824 -31.228 -17.401 1.00 53.04 ? 606 CLA B CBB 1 ? ? +53685 HETATM N NC . CLA DZ 33 . ? -25.993 -27.148 -18.301 1.00 53.91 ? 606 CLA B NC 1 ? ? +53686 HETATM C C1C . CLA DZ 33 . ? -25.752 -28.420 -17.858 1.00 54.01 ? 606 CLA B C1C 1 ? ? +53687 HETATM C C2C . CLA DZ 33 . ? -26.762 -29.025 -16.956 1.00 54.62 ? 606 CLA B C2C 1 ? ? +53688 HETATM C C3C . CLA DZ 33 . ? -27.800 -28.042 -16.902 1.00 55.16 ? 606 CLA B C3C 1 ? ? +53689 HETATM C C4C . CLA DZ 33 . ? -27.261 -27.007 -17.795 1.00 54.55 ? 606 CLA B C4C 1 ? ? +53690 HETATM C CMC . CLA DZ 33 . ? -26.784 -30.337 -16.254 1.00 54.94 ? 606 CLA B CMC 1 ? ? +53691 HETATM C CAC . CLA DZ 33 . ? -29.141 -28.126 -16.185 1.00 56.14 ? 606 CLA B CAC 1 ? ? +53692 HETATM C CBC . CLA DZ 33 . ? -29.089 -27.484 -14.821 1.00 56.25 ? 606 CLA B CBC 1 ? ? +53693 HETATM N ND . CLA DZ 33 . ? -26.014 -24.519 -18.622 1.00 53.53 ? 606 CLA B ND 1 ? ? +53694 HETATM C C1D . CLA DZ 33 . ? -27.463 -24.573 -18.318 1.00 54.28 ? 606 CLA B C1D 1 ? ? +53695 HETATM C C2D . CLA DZ 33 . ? -28.112 -23.235 -18.240 1.00 54.54 ? 606 CLA B C2D 1 ? ? +53696 HETATM C C3D . CLA DZ 33 . ? -27.012 -22.417 -18.751 1.00 53.87 ? 606 CLA B C3D 1 ? ? +53697 HETATM C C4D . CLA DZ 33 . ? -25.959 -23.212 -19.052 1.00 53.39 ? 606 CLA B C4D 1 ? ? +53698 HETATM C CMD . CLA DZ 33 . ? -29.447 -22.644 -17.892 1.00 55.32 ? 606 CLA B CMD 1 ? ? +53699 HETATM C CAD . CLA DZ 33 . ? -26.666 -21.018 -19.095 1.00 53.62 ? 606 CLA B CAD 1 ? ? +53700 HETATM O OBD . CLA DZ 33 . ? -27.421 -20.011 -18.993 1.00 53.83 ? 606 CLA B OBD 1 ? ? +53701 HETATM C CBD . CLA DZ 33 . ? -25.232 -20.949 -19.573 1.00 52.95 ? 606 CLA B CBD 1 ? ? +53702 HETATM C CGD . CLA DZ 33 . ? -25.228 -20.343 -20.940 1.00 52.95 ? 606 CLA B CGD 1 ? ? +53703 HETATM O O1D . CLA DZ 33 . ? -26.097 -20.530 -21.745 1.00 53.48 ? 606 CLA B O1D 1 ? ? +53704 HETATM O O2D . CLA DZ 33 . ? -24.223 -19.450 -21.391 1.00 52.63 ? 606 CLA B O2D 1 ? ? +53705 HETATM C CED . CLA DZ 33 . ? -24.393 -18.839 -22.673 1.00 52.67 ? 606 CLA B CED 1 ? ? +53706 HETATM C C1 . CLA DZ 33 . ? -18.607 -22.419 -15.869 1.00 54.38 ? 606 CLA B C1 1 ? ? +53707 HETATM C C2 . CLA DZ 33 . ? -18.613 -22.564 -14.380 1.00 55.92 ? 606 CLA B C2 1 ? ? +53708 HETATM C C3 . CLA DZ 33 . ? -17.518 -22.762 -13.653 1.00 57.79 ? 606 CLA B C3 1 ? ? +53709 HETATM C C4 . CLA DZ 33 . ? -16.172 -22.852 -14.292 1.00 57.06 ? 606 CLA B C4 1 ? ? +53710 HETATM C C5 . CLA DZ 33 . ? -17.671 -22.898 -12.159 1.00 60.64 ? 606 CLA B C5 1 ? ? +53711 HETATM C C6 . CLA DZ 33 . ? -17.561 -21.572 -11.410 1.00 62.99 ? 606 CLA B C6 1 ? ? +53712 HETATM C C7 . CLA DZ 33 . ? -17.825 -21.860 -9.939 1.00 66.39 ? 606 CLA B C7 1 ? ? +53713 HETATM C C8 . CLA DZ 33 . ? -17.231 -20.878 -8.945 1.00 70.21 ? 606 CLA B C8 1 ? ? +53714 HETATM C C9 . CLA DZ 33 . ? -16.474 -19.658 -9.425 1.00 70.25 ? 606 CLA B C9 1 ? ? +53715 HETATM C C10 . CLA DZ 33 . ? -17.593 -20.978 -7.457 1.00 76.74 ? 606 CLA B C10 1 ? ? +53716 HETATM C C11 . CLA DZ 33 . ? -19.059 -20.707 -7.068 1.00 84.89 ? 606 CLA B C11 1 ? ? +53717 HETATM C C12 . CLA DZ 33 . ? -19.167 -20.218 -5.615 1.00 91.74 ? 606 CLA B C12 1 ? ? +53718 HETATM C C13 . CLA DZ 33 . ? -20.014 -21.136 -4.713 1.00 98.56 ? 606 CLA B C13 1 ? ? +53719 HETATM C C14 . CLA DZ 33 . ? -21.506 -21.079 -5.074 1.00 98.51 ? 606 CLA B C14 1 ? ? +53720 HETATM C C15 . CLA DZ 33 . ? -19.784 -20.777 -3.235 1.00 104.69 ? 606 CLA B C15 1 ? ? +53721 HETATM C C16 . CLA DZ 33 . ? -18.343 -20.955 -2.697 1.00 109.18 ? 606 CLA B C16 1 ? ? +53722 HETATM C C17 . CLA DZ 33 . ? -18.248 -20.132 -1.412 1.00 113.41 ? 606 CLA B C17 1 ? ? +53723 HETATM C C18 . CLA DZ 33 . ? -17.115 -20.355 -0.405 1.00 116.80 ? 606 CLA B C18 1 ? ? +53724 HETATM C C19 . CLA DZ 33 . ? -17.501 -20.556 1.063 1.00 121.07 ? 606 CLA B C19 1 ? ? +53725 HETATM C C20 . CLA DZ 33 . ? -15.671 -20.499 -0.861 1.00 116.48 ? 606 CLA B C20 1 ? ? +53726 HETATM C C1 . LMG EA 34 . ? 52.519 -32.699 -52.871 1.00 88.31 ? 501 LMG C C1 1 ? ? +53727 HETATM O O1 . LMG EA 34 . ? 53.017 -33.810 -52.193 1.00 86.90 ? 501 LMG C O1 1 ? ? +53728 HETATM C C2 . LMG EA 34 . ? 53.208 -31.401 -52.480 1.00 87.25 ? 501 LMG C C2 1 ? ? +53729 HETATM O O2 . LMG EA 34 . ? 52.961 -31.139 -51.101 1.00 84.71 ? 501 LMG C O2 1 ? ? +53730 HETATM C C3 . LMG EA 34 . ? 52.672 -30.247 -53.358 1.00 88.93 ? 501 LMG C C3 1 ? ? +53731 HETATM O O3 . LMG EA 34 . ? 53.506 -29.098 -53.196 1.00 88.40 ? 501 LMG C O3 1 ? ? +53732 HETATM C C4 . LMG EA 34 . ? 52.536 -30.645 -54.845 1.00 92.22 ? 501 LMG C C4 1 ? ? +53733 HETATM O O4 . LMG EA 34 . ? 53.806 -30.768 -55.473 1.00 92.62 ? 501 LMG C O4 1 ? ? +53734 HETATM C C5 . LMG EA 34 . ? 51.808 -31.986 -54.926 1.00 94.80 ? 501 LMG C C5 1 ? ? +53735 HETATM O O5 . LMG EA 34 . ? 50.419 -33.496 -56.178 1.00 94.25 ? 501 LMG C O5 1 ? ? +53736 HETATM C C6 . LMG EA 34 . ? 51.498 -32.545 -56.298 1.00 96.16 ? 501 LMG C C6 1 ? ? +53737 HETATM O O6 . LMG EA 34 . ? 52.659 -32.918 -54.255 1.00 90.79 ? 501 LMG C O6 1 ? ? +53738 HETATM C C7 . LMG EA 34 . ? 52.009 -34.838 -52.156 1.00 86.80 ? 501 LMG C C7 1 ? ? +53739 HETATM C C8 . LMG EA 34 . ? 52.486 -36.136 -51.599 1.00 87.02 ? 501 LMG C C8 1 ? ? +53740 HETATM C C9 . LMG EA 34 . ? 53.988 -36.294 -51.639 1.00 89.26 ? 501 LMG C C9 1 ? ? +53741 HETATM O O7 . LMG EA 34 . ? 51.993 -36.190 -50.235 1.00 84.29 ? 501 LMG C O7 1 ? ? +53742 HETATM C C10 . LMG EA 34 . ? 51.055 -37.096 -49.941 1.00 83.82 ? 501 LMG C C10 1 ? ? +53743 HETATM O O9 . LMG EA 34 . ? 50.587 -37.856 -50.748 1.00 84.36 ? 501 LMG C O9 1 ? ? +53744 HETATM C C11 . LMG EA 34 . ? 50.687 -37.031 -48.494 1.00 83.67 ? 501 LMG C C11 1 ? ? +53745 HETATM C C12 . LMG EA 34 . ? 50.072 -38.295 -47.987 1.00 82.48 ? 501 LMG C C12 1 ? ? +53746 HETATM C C13 . LMG EA 34 . ? 48.567 -38.319 -48.172 1.00 80.76 ? 501 LMG C C13 1 ? ? +53747 HETATM C C14 . LMG EA 34 . ? 47.777 -37.977 -46.931 1.00 80.13 ? 501 LMG C C14 1 ? ? +53748 HETATM C C15 . LMG EA 34 . ? 46.832 -39.061 -46.465 1.00 78.33 ? 501 LMG C C15 1 ? ? +53749 HETATM C C16 . LMG EA 34 . ? 45.435 -38.920 -46.989 1.00 75.94 ? 501 LMG C C16 1 ? ? +53750 HETATM C C17 . LMG EA 34 . ? 44.642 -40.187 -46.928 1.00 75.45 ? 501 LMG C C17 1 ? ? +53751 HETATM C C18 . LMG EA 34 . ? 44.510 -40.733 -45.540 1.00 75.73 ? 501 LMG C C18 1 ? ? +53752 HETATM C C19 . LMG EA 34 . ? 43.755 -42.023 -45.461 1.00 76.23 ? 501 LMG C C19 1 ? ? +53753 HETATM C C20 . LMG EA 34 . ? 44.527 -43.147 -44.842 1.00 77.23 ? 501 LMG C C20 1 ? ? +53754 HETATM C C21 . LMG EA 34 . ? 45.416 -43.882 -45.806 1.00 79.89 ? 501 LMG C C21 1 ? ? +53755 HETATM C C22 . LMG EA 34 . ? 45.229 -45.372 -45.783 1.00 82.32 ? 501 LMG C C22 1 ? ? +53756 HETATM C C23 . LMG EA 34 . ? 45.419 -45.998 -44.419 1.00 84.15 ? 501 LMG C C23 1 ? ? +53757 HETATM C C24 . LMG EA 34 . ? 45.144 -47.483 -44.383 1.00 85.85 ? 501 LMG C C24 1 ? ? +53758 HETATM C C25 . LMG EA 34 . ? 43.677 -47.849 -44.436 1.00 85.07 ? 501 LMG C C25 1 ? ? +53759 HETATM O O8 . LMG EA 34 . ? 54.261 -37.702 -51.791 1.00 89.99 ? 501 LMG C O8 1 ? ? +53760 HETATM C C28 . LMG EA 34 . ? 55.468 -38.036 -52.231 1.00 92.56 ? 501 LMG C C28 1 ? ? +53761 HETATM O O10 . LMG EA 34 . ? 56.335 -37.232 -52.494 1.00 92.32 ? 501 LMG C O10 1 ? ? +53762 HETATM C C29 . LMG EA 34 . ? 55.573 -39.529 -52.339 1.00 92.81 ? 501 LMG C C29 1 ? ? +53763 HETATM C C30 . LMG EA 34 . ? 54.866 -40.250 -51.233 1.00 91.39 ? 501 LMG C C30 1 ? ? +53764 HETATM C C31 . LMG EA 34 . ? 54.691 -41.725 -51.522 1.00 90.43 ? 501 LMG C C31 1 ? ? +53765 HETATM C C32 . LMG EA 34 . ? 53.321 -42.089 -52.000 1.00 88.53 ? 501 LMG C C32 1 ? ? +53766 HETATM C C33 . LMG EA 34 . ? 53.058 -43.561 -51.985 1.00 87.55 ? 501 LMG C C33 1 ? ? +53767 HETATM C C34 . LMG EA 34 . ? 51.609 -43.937 -51.872 1.00 85.11 ? 501 LMG C C34 1 ? ? +53768 HETATM C C35 . LMG EA 34 . ? 51.433 -45.378 -51.513 1.00 84.34 ? 501 LMG C C35 1 ? ? +53769 HETATM C C36 . LMG EA 34 . ? 50.015 -45.841 -51.363 1.00 81.38 ? 501 LMG C C36 1 ? ? +53770 HETATM C C37 . LMG EA 34 . ? 49.915 -47.339 -51.276 1.00 80.63 ? 501 LMG C C37 1 ? ? +53771 HETATM C C38 . LMG EA 34 . ? 48.527 -47.863 -51.093 1.00 78.81 ? 501 LMG C C38 1 ? ? +53772 HETATM C C39 . LMG EA 34 . ? 48.203 -48.234 -49.674 1.00 78.33 ? 501 LMG C C39 1 ? ? +53773 HETATM C C40 . LMG EA 34 . ? 46.844 -48.850 -49.503 1.00 77.89 ? 501 LMG C C40 1 ? ? +53774 HETATM C C41 . LMG EA 34 . ? 46.334 -48.839 -48.089 1.00 77.77 ? 501 LMG C C41 1 ? ? +53775 HETATM C C42 . LMG EA 34 . ? 46.551 -50.124 -47.336 1.00 78.69 ? 501 LMG C C42 1 ? ? +53776 HETATM C C43 . LMG EA 34 . ? 45.493 -50.409 -46.291 1.00 79.53 ? 501 LMG C C43 1 ? ? +53777 HETATM MG MG . CLA EB 33 . ? -10.286 -62.744 -39.802 1.00 53.45 ? 403 CLA D MG 1 ? ? +53778 HETATM C CHA . CLA EB 33 . ? -11.953 -60.480 -41.715 1.00 53.32 ? 403 CLA D CHA 1 ? ? +53779 HETATM C CHB . CLA EB 33 . ? -10.363 -60.605 -37.215 1.00 52.73 ? 403 CLA D CHB 1 ? ? +53780 HETATM C CHC . CLA EB 33 . ? -9.707 -65.376 -37.523 1.00 54.29 ? 403 CLA D CHC 1 ? ? +53781 HETATM C CHD . CLA EB 33 . ? -11.147 -65.314 -42.224 1.00 54.82 ? 403 CLA D CHD 1 ? ? +53782 HETATM N NA . CLA EB 33 . ? -11.148 -60.947 -39.467 1.00 53.20 ? 403 CLA D NA 1 ? ? +53783 HETATM C C1A . CLA EB 33 . ? -11.671 -60.135 -40.321 1.00 53.25 ? 403 CLA D C1A 1 ? ? +53784 HETATM C C2A . CLA EB 33 . ? -11.924 -58.722 -39.830 1.00 53.14 ? 403 CLA D C2A 1 ? ? +53785 HETATM C C3A . CLA EB 33 . ? -11.236 -58.760 -38.500 1.00 52.67 ? 403 CLA D C3A 1 ? ? +53786 HETATM C C4A . CLA EB 33 . ? -10.938 -60.222 -38.356 1.00 52.92 ? 403 CLA D C4A 1 ? ? +53787 HETATM C CMA . CLA EB 33 . ? -9.966 -57.917 -38.529 1.00 51.86 ? 403 CLA D CMA 1 ? ? +53788 HETATM C CAA . CLA EB 33 . ? -13.387 -58.312 -39.662 1.00 54.13 ? 403 CLA D CAA 1 ? ? +53789 HETATM C CBA . CLA EB 33 . ? -14.102 -59.373 -38.820 1.00 55.46 ? 403 CLA D CBA 1 ? ? +53790 HETATM C CGA . CLA EB 33 . ? -15.480 -59.025 -38.361 1.00 56.76 ? 403 CLA D CGA 1 ? ? +53791 HETATM O O1A . CLA EB 33 . ? -16.084 -58.051 -38.738 1.00 56.85 ? 403 CLA D O1A 1 ? ? +53792 HETATM O O2A . CLA EB 33 . ? -16.099 -59.908 -37.431 1.00 58.89 ? 403 CLA D O2A 1 ? ? +53793 HETATM N NB . CLA EB 33 . ? -10.109 -62.993 -37.740 1.00 53.43 ? 403 CLA D NB 1 ? ? +53794 HETATM C C1B . CLA EB 33 . ? -10.028 -61.979 -36.846 1.00 53.02 ? 403 CLA D C1B 1 ? ? +53795 HETATM C C2B . CLA EB 33 . ? -9.763 -62.289 -35.433 1.00 53.01 ? 403 CLA D C2B 1 ? ? +53796 HETATM C C3B . CLA EB 33 . ? -9.564 -63.704 -35.512 1.00 53.56 ? 403 CLA D C3B 1 ? ? +53797 HETATM C C4B . CLA EB 33 . ? -9.762 -64.038 -36.958 1.00 53.72 ? 403 CLA D C4B 1 ? ? +53798 HETATM C CMB . CLA EB 33 . ? -9.700 -61.404 -34.229 1.00 52.66 ? 403 CLA D CMB 1 ? ? +53799 HETATM C CAB . CLA EB 33 . ? -9.302 -64.470 -34.267 1.00 53.87 ? 403 CLA D CAB 1 ? ? +53800 HETATM C CBB . CLA EB 33 . ? -9.270 -65.777 -34.208 1.00 54.49 ? 403 CLA D CBB 1 ? ? +53801 HETATM N NC . CLA EB 33 . ? -10.445 -64.818 -39.866 1.00 54.30 ? 403 CLA D NC 1 ? ? +53802 HETATM C C1C . CLA EB 33 . ? -10.113 -65.716 -38.899 1.00 54.60 ? 403 CLA D C1C 1 ? ? +53803 HETATM C C2C . CLA EB 33 . ? -10.228 -67.155 -39.252 1.00 55.34 ? 403 CLA D C2C 1 ? ? +53804 HETATM C C3C . CLA EB 33 . ? -10.642 -67.135 -40.641 1.00 55.42 ? 403 CLA D C3C 1 ? ? +53805 HETATM C C4C . CLA EB 33 . ? -10.685 -65.687 -40.903 1.00 54.78 ? 403 CLA D C4C 1 ? ? +53806 HETATM C CMC . CLA EB 33 . ? -9.970 -68.362 -38.399 1.00 55.96 ? 403 CLA D CMC 1 ? ? +53807 HETATM C CAC . CLA EB 33 . ? -10.900 -68.294 -41.567 1.00 56.05 ? 403 CLA D CAC 1 ? ? +53808 HETATM C CBC . CLA EB 33 . ? -12.378 -68.593 -41.685 1.00 56.82 ? 403 CLA D CBC 1 ? ? +53809 HETATM N ND . CLA EB 33 . ? -11.531 -62.961 -41.385 1.00 54.04 ? 403 CLA D ND 1 ? ? +53810 HETATM C C1D . CLA EB 33 . ? -11.450 -63.940 -42.487 1.00 54.39 ? 403 CLA D C1D 1 ? ? +53811 HETATM C C2D . CLA EB 33 . ? -11.932 -63.395 -43.787 1.00 54.43 ? 403 CLA D C2D 1 ? ? +53812 HETATM C C3D . CLA EB 33 . ? -12.096 -61.982 -43.416 1.00 53.94 ? 403 CLA D C3D 1 ? ? +53813 HETATM C C4D . CLA EB 33 . ? -11.727 -61.826 -42.136 1.00 53.71 ? 403 CLA D C4D 1 ? ? +53814 HETATM C CMD . CLA EB 33 . ? -12.195 -63.929 -45.171 1.00 54.83 ? 403 CLA D CMD 1 ? ? +53815 HETATM C CAD . CLA EB 33 . ? -12.496 -60.669 -43.965 1.00 53.64 ? 403 CLA D CAD 1 ? ? +53816 HETATM O OBD . CLA EB 33 . ? -12.847 -60.408 -45.171 1.00 53.76 ? 403 CLA D OBD 1 ? ? +53817 HETATM C CBD . CLA EB 33 . ? -12.352 -59.658 -42.886 1.00 53.17 ? 403 CLA D CBD 1 ? ? +53818 HETATM C CGD . CLA EB 33 . ? -11.215 -58.770 -43.296 1.00 52.40 ? 403 CLA D CGD 1 ? ? +53819 HETATM O O1D . CLA EB 33 . ? -10.071 -59.130 -43.162 1.00 52.10 ? 403 CLA D O1D 1 ? ? +53820 HETATM O O2D . CLA EB 33 . ? -11.418 -57.470 -43.885 1.00 52.04 ? 403 CLA D O2D 1 ? ? +53821 HETATM C CED . CLA EB 33 . ? -10.543 -56.959 -44.873 1.00 51.56 ? 403 CLA D CED 1 ? ? +53822 HETATM C C1 . CLA EB 33 . ? -17.433 -59.676 -36.987 1.00 60.93 ? 403 CLA D C1 1 ? ? +53823 HETATM C C2 . CLA EB 33 . ? -17.782 -60.830 -36.085 1.00 62.96 ? 403 CLA D C2 1 ? ? +53824 HETATM C C3 . CLA EB 33 . ? -17.561 -60.805 -34.759 1.00 65.29 ? 403 CLA D C3 1 ? ? +53825 HETATM C C4 . CLA EB 33 . ? -16.962 -59.605 -34.086 1.00 64.57 ? 403 CLA D C4 1 ? ? +53826 HETATM C C5 . CLA EB 33 . ? -17.934 -62.026 -33.962 1.00 68.87 ? 403 CLA D C5 1 ? ? +53827 HETATM C C6 . CLA EB 33 . ? -18.386 -61.687 -32.547 1.00 72.14 ? 403 CLA D C6 1 ? ? +53828 HETATM C C7 . CLA EB 33 . ? -19.792 -62.238 -32.279 1.00 77.01 ? 403 CLA D C7 1 ? ? +53829 HETATM C C8 . CLA EB 33 . ? -20.184 -62.182 -30.796 1.00 81.39 ? 403 CLA D C8 1 ? ? +53830 HETATM C C9 . CLA EB 33 . ? -19.338 -61.438 -29.764 1.00 80.57 ? 403 CLA D C9 1 ? ? +53831 HETATM C C10 . CLA EB 33 . ? -21.551 -62.759 -30.390 1.00 87.70 ? 403 CLA D C10 1 ? ? +53832 HETATM C C11 . CLA EB 33 . ? -22.853 -62.098 -30.870 1.00 93.68 ? 403 CLA D C11 1 ? ? +53833 HETATM C C12 . CLA EB 33 . ? -23.315 -62.609 -32.239 1.00 99.82 ? 403 CLA D C12 1 ? ? +53834 HETATM C C13 . CLA EB 33 . ? -24.659 -63.353 -32.216 1.00 107.10 ? 403 CLA D C13 1 ? ? +53835 HETATM C C14 . CLA EB 33 . ? -24.576 -64.711 -31.514 1.00 107.59 ? 403 CLA D C14 1 ? ? +53836 HETATM C C15 . CLA EB 33 . ? -25.127 -63.558 -33.659 1.00 114.09 ? 403 CLA D C15 1 ? ? +53837 HETATM C C16 . CLA EB 33 . ? -26.377 -62.762 -34.038 1.00 118.66 ? 403 CLA D C16 1 ? ? +53838 HETATM C C17 . CLA EB 33 . ? -26.478 -62.763 -35.566 1.00 122.69 ? 403 CLA D C17 1 ? ? +53839 HETATM C C18 . CLA EB 33 . ? -27.774 -62.209 -36.182 1.00 126.05 ? 403 CLA D C18 1 ? ? +53840 HETATM C C19 . CLA EB 33 . ? -28.380 -62.922 -37.398 1.00 125.43 ? 403 CLA D C19 1 ? ? +53841 HETATM C C20 . CLA EB 33 . ? -28.591 -61.141 -35.445 1.00 126.95 ? 403 CLA D C20 1 ? ? +53842 HETATM C C1 . GOL EC 38 . ? 54.184 -20.144 -77.719 1.00 76.63 ? 302 GOL O C1 1 ? ? +53843 HETATM O O1 . GOL EC 38 . ? 54.129 -20.725 -76.416 1.00 75.00 ? 302 GOL O O1 1 ? ? +53844 HETATM C C2 . GOL EC 38 . ? 55.289 -20.738 -78.568 1.00 78.46 ? 302 GOL O C2 1 ? ? +53845 HETATM O O2 . GOL EC 38 . ? 54.731 -21.231 -79.787 1.00 79.12 ? 302 GOL O O2 1 ? ? +53846 HETATM C C3 . GOL EC 38 . ? 56.421 -19.772 -78.863 1.00 79.81 ? 302 GOL O C3 1 ? ? +53847 HETATM O O3 . GOL EC 38 . ? 56.012 -18.707 -79.715 1.00 79.88 ? 302 GOL O O3 1 ? ? +53848 HETATM O O1 A LHG ED 39 . ? 32.332 17.661 31.957 0.40 120.77 ? 418 LHG a O1 1 ? ? +53849 HETATM O O1 B LHG ED 39 . ? 32.387 17.643 31.993 0.60 142.30 ? 418 LHG a O1 1 ? ? +53850 HETATM C C1 A LHG ED 39 . ? 31.275 17.918 32.877 0.40 121.25 ? 418 LHG a C1 1 ? ? +53851 HETATM C C1 B LHG ED 39 . ? 31.344 17.988 32.901 0.60 143.61 ? 418 LHG a C1 1 ? ? +53852 HETATM C C2 A LHG ED 39 . ? 29.957 18.148 32.169 0.40 120.86 ? 418 LHG a C2 1 ? ? +53853 HETATM C C2 B LHG ED 39 . ? 30.023 18.183 32.189 0.60 144.03 ? 418 LHG a C2 1 ? ? +53854 HETATM O O2 A LHG ED 39 . ? 30.142 19.060 31.087 0.40 120.45 ? 418 LHG a O2 1 ? ? +53855 HETATM O O2 B LHG ED 39 . ? 30.183 19.107 31.112 0.60 143.01 ? 418 LHG a O2 1 ? ? +53856 HETATM C C3 A LHG ED 39 . ? 28.878 18.684 33.082 0.40 122.28 ? 418 LHG a C3 1 ? ? +53857 HETATM C C3 B LHG ED 39 . ? 28.924 18.680 33.102 0.60 147.34 ? 418 LHG a C3 1 ? ? +53858 HETATM O O3 A LHG ED 39 . ? 27.565 18.498 32.487 0.40 124.33 ? 418 LHG a O3 1 ? ? +53859 HETATM O O3 B LHG ED 39 . ? 27.630 18.550 32.450 0.60 153.89 ? 418 LHG a O3 1 ? ? +53860 HETATM P P A LHG ED 39 . ? 26.533 19.730 32.469 0.40 124.65 ? 418 LHG a P 1 ? ? +53861 HETATM P P B LHG ED 39 . ? 26.574 19.758 32.537 0.60 156.84 ? 418 LHG a P 1 ? ? +53862 HETATM O O4 A LHG ED 39 . ? 25.706 19.656 33.723 0.40 125.61 ? 418 LHG a O4 1 ? ? +53863 HETATM O O4 B LHG ED 39 . ? 25.795 19.604 33.814 0.60 157.97 ? 418 LHG a O4 1 ? ? +53864 HETATM O O5 A LHG ED 39 . ? 27.338 20.965 32.181 0.40 123.06 ? 418 LHG a O5 1 ? ? +53865 HETATM O O5 B LHG ED 39 . ? 27.319 21.036 32.273 0.60 153.38 ? 418 LHG a O5 1 ? ? +53866 HETATM O O6 A LHG ED 39 . ? 25.594 19.396 31.206 0.40 121.91 ? 418 LHG a O6 1 ? ? +53867 HETATM O O6 B LHG ED 39 . ? 25.589 19.447 31.304 0.60 154.25 ? 418 LHG a O6 1 ? ? +53868 HETATM C C4 A LHG ED 39 . ? 25.824 20.084 29.943 0.40 121.64 ? 418 LHG a C4 1 ? ? +53869 HETATM C C4 B LHG ED 39 . ? 25.774 20.156 30.047 0.60 154.98 ? 418 LHG a C4 1 ? ? +53870 HETATM C C5 A LHG ED 39 . ? 25.033 19.432 28.830 0.40 121.29 ? 418 LHG a C5 1 ? ? +53871 HETATM C C5 B LHG ED 39 . ? 25.017 19.477 28.925 0.60 155.73 ? 418 LHG a C5 1 ? ? +53872 HETATM C C6 A LHG ED 39 . ? 23.566 19.253 29.154 0.40 121.23 ? 418 LHG a C6 1 ? ? +53873 HETATM C C6 B LHG ED 39 . ? 23.551 19.253 29.232 0.60 155.27 ? 418 LHG a C6 1 ? ? +53874 HETATM O O7 A LHG ED 39 . ? 25.121 20.263 27.639 0.40 121.44 ? 418 LHG a O7 1 ? ? +53875 HETATM O O7 B LHG ED 39 . ? 25.102 20.320 27.741 0.60 158.12 ? 418 LHG a O7 1 ? ? +53876 HETATM C C7 A LHG ED 39 . ? 26.330 20.491 27.101 0.40 121.19 ? 418 LHG a C7 1 ? ? +53877 HETATM C C7 B LHG ED 39 . ? 26.268 20.408 27.077 0.60 159.07 ? 418 LHG a C7 1 ? ? +53878 HETATM O O9 A LHG ED 39 . ? 27.332 19.994 27.543 0.40 121.24 ? 418 LHG a O9 1 ? ? +53879 HETATM O O9 B LHG ED 39 . ? 27.257 19.800 27.397 0.60 157.85 ? 418 LHG a O9 1 ? ? +53880 HETATM C C8 A LHG ED 39 . ? 26.268 21.444 25.933 0.40 120.16 ? 418 LHG a C8 1 ? ? +53881 HETATM C C8 B LHG ED 39 . ? 26.183 21.355 25.909 0.60 159.02 ? 418 LHG a C8 1 ? ? +53882 HETATM C C9 A LHG ED 39 . ? 27.259 21.146 24.845 0.40 118.91 ? 418 LHG a C9 1 ? ? +53883 HETATM C C9 B LHG ED 39 . ? 27.227 21.108 24.863 0.60 158.22 ? 418 LHG a C9 1 ? ? +53884 HETATM C C10 A LHG ED 39 . ? 26.849 21.732 23.498 0.40 116.93 ? 418 LHG a C10 1 ? ? +53885 HETATM C C10 B LHG ED 39 . ? 26.920 21.803 23.542 0.60 155.68 ? 418 LHG a C10 1 ? ? +53886 HETATM O O8 A LHG ED 39 . ? 23.186 17.879 28.918 0.40 120.60 ? 418 LHG a O8 1 ? ? +53887 HETATM O O8 B LHG ED 39 . ? 23.180 17.903 28.861 0.60 153.79 ? 418 LHG a O8 1 ? ? +53888 HETATM C C23 A LHG ED 39 . ? 22.432 17.640 27.847 0.40 120.18 ? 418 LHG a C23 1 ? ? +53889 HETATM C C23 B LHG ED 39 . ? 22.288 17.682 27.887 0.60 152.61 ? 418 LHG a C23 1 ? ? +53890 HETATM O O10 A LHG ED 39 . ? 21.986 16.555 27.584 0.40 119.73 ? 418 LHG a O10 1 ? ? +53891 HETATM O O10 B LHG ED 39 . ? 21.787 16.604 27.704 0.60 152.30 ? 418 LHG a O10 1 ? ? +53892 HETATM C C24 A LHG ED 39 . ? 22.241 18.871 27.002 0.40 119.96 ? 418 LHG a C24 1 ? ? +53893 HETATM C C24 B LHG ED 39 . ? 22.035 18.852 26.962 0.60 151.69 ? 418 LHG a C24 1 ? ? +53894 HETATM C C11 A LHG ED 39 . ? 27.959 21.779 22.470 0.40 114.77 ? 418 LHG a C11 1 ? ? +53895 HETATM C C11 B LHG ED 39 . ? 28.066 21.786 22.557 0.60 151.86 ? 418 LHG a C11 1 ? ? +53896 HETATM C C12 A LHG ED 39 . ? 29.146 22.624 22.871 0.40 112.56 ? 418 LHG a C12 1 ? ? +53897 HETATM C C12 B LHG ED 39 . ? 29.227 22.684 22.920 0.60 146.67 ? 418 LHG a C12 1 ? ? +53898 HETATM C C13 A LHG ED 39 . ? 30.483 22.008 22.539 0.40 110.40 ? 418 LHG a C13 1 ? ? +53899 HETATM C C13 B LHG ED 39 . ? 30.578 22.113 22.571 0.60 142.13 ? 418 LHG a C13 1 ? ? +53900 HETATM C C14 A LHG ED 39 . ? 30.683 21.721 21.071 0.40 107.75 ? 418 LHG a C14 1 ? ? +53901 HETATM C C14 B LHG ED 39 . ? 30.738 21.771 21.112 0.60 137.88 ? 418 LHG a C14 1 ? ? +53902 HETATM C C15 A LHG ED 39 . ? 32.098 21.355 20.704 0.40 106.63 ? 418 LHG a C15 1 ? ? +53903 HETATM C C15 B LHG ED 39 . ? 32.130 21.346 20.728 0.60 135.73 ? 418 LHG a C15 1 ? ? +53904 HETATM C C16 A LHG ED 39 . ? 32.281 20.950 19.263 0.40 104.71 ? 418 LHG a C16 1 ? ? +53905 HETATM C C16 B LHG ED 39 . ? 32.297 20.979 19.271 0.60 132.78 ? 418 LHG a C16 1 ? ? +53906 HETATM C C17 A LHG ED 39 . ? 31.448 19.765 18.846 0.40 103.08 ? 418 LHG a C17 1 ? ? +53907 HETATM C C17 B LHG ED 39 . ? 31.498 19.777 18.822 0.60 130.26 ? 418 LHG a C17 1 ? ? +53908 HETATM C C18 A LHG ED 39 . ? 31.919 18.447 19.414 0.40 102.38 ? 418 LHG a C18 1 ? ? +53909 HETATM C C18 B LHG ED 39 . ? 31.924 18.469 19.452 0.60 128.28 ? 418 LHG a C18 1 ? ? +53910 HETATM C C19 A LHG ED 39 . ? 31.039 17.275 19.063 0.40 100.28 ? 418 LHG a C19 1 ? ? +53911 HETATM C C19 B LHG ED 39 . ? 31.094 17.273 19.045 0.60 124.08 ? 418 LHG a C19 1 ? ? +53912 HETATM C C20 A LHG ED 39 . ? 30.958 16.990 17.585 0.40 98.16 ? 418 LHG a C20 1 ? ? +53913 HETATM C C20 B LHG ED 39 . ? 31.022 17.017 17.558 0.60 120.07 ? 418 LHG a C20 1 ? ? +53914 HETATM C C21 A LHG ED 39 . ? 32.281 16.654 16.953 0.40 96.97 ? 418 LHG a C21 1 ? ? +53915 HETATM C C21 B LHG ED 39 . ? 32.340 16.680 16.913 0.60 116.81 ? 418 LHG a C21 1 ? ? +53916 HETATM C C22 A LHG ED 39 . ? 32.222 16.579 15.449 0.40 95.78 ? 418 LHG a C22 1 ? ? +53917 HETATM C C22 B LHG ED 39 . ? 32.242 16.556 15.415 0.60 114.47 ? 418 LHG a C22 1 ? ? +53918 HETATM C C25 A LHG ED 39 . ? 23.053 18.854 25.740 0.40 119.77 ? 418 LHG a C25 1 ? ? +53919 HETATM C C25 B LHG ED 39 . ? 22.932 18.866 25.756 0.60 151.26 ? 418 LHG a C25 1 ? ? +53920 HETATM C C26 A LHG ED 39 . ? 22.294 19.395 24.538 0.40 119.25 ? 418 LHG a C26 1 ? ? +53921 HETATM C C26 B LHG ED 39 . ? 22.230 19.372 24.506 0.60 150.08 ? 418 LHG a C26 1 ? ? +53922 HETATM C C27 A LHG ED 39 . ? 21.474 18.363 23.798 0.40 118.33 ? 418 LHG a C27 1 ? ? +53923 HETATM C C27 B LHG ED 39 . ? 21.392 18.330 23.801 0.60 148.15 ? 418 LHG a C27 1 ? ? +53924 HETATM C C28 A LHG ED 39 . ? 22.285 17.425 22.934 0.40 117.41 ? 418 LHG a C28 1 ? ? +53925 HETATM C C28 B LHG ED 39 . ? 22.175 17.398 22.899 0.60 145.80 ? 418 LHG a C28 1 ? ? +53926 HETATM C C29 A LHG ED 39 . ? 21.962 17.496 21.458 0.40 116.26 ? 418 LHG a C29 1 ? ? +53927 HETATM C C29 B LHG ED 39 . ? 21.845 17.495 21.420 0.60 142.90 ? 418 LHG a C29 1 ? ? +53928 HETATM C C30 A LHG ED 39 . ? 22.112 18.872 20.849 0.40 115.68 ? 418 LHG a C30 1 ? ? +53929 HETATM C C30 B LHG ED 39 . ? 21.893 18.891 20.820 0.60 140.68 ? 418 LHG a C30 1 ? ? +53930 HETATM C C31 A LHG ED 39 . ? 23.457 19.515 21.085 0.40 116.09 ? 418 LHG a C31 1 ? ? +53931 HETATM C C31 B LHG ED 39 . ? 23.191 19.632 21.021 0.60 140.02 ? 418 LHG a C31 1 ? ? +53932 HETATM CA CA . CA EE 31 . ? -27.988 11.531 36.943 1.00 75.14 2 523 CA c CA 1 ? ? +53933 HETATM FE FE A FE2 EF 44 . ? 25.119 -58.454 -22.042 0.40 50.03 ? 401 FE2 A FE 1 ? ? +53934 HETATM FE FE B FE2 EF 44 . ? 25.129 -58.434 -22.054 0.60 50.35 ? 401 FE2 A FE 1 ? ? +53935 HETATM MG MG . CLA EG 33 . ? -2.627 -22.806 -28.114 1.00 46.02 ? 607 CLA B MG 1 ? ? +53936 HETATM C CHA . CLA EG 33 . ? -1.427 -20.494 -30.377 1.00 44.83 ? 607 CLA B CHA 1 ? ? +53937 HETATM C CHB . CLA EG 33 . ? -3.394 -24.851 -30.663 1.00 46.41 ? 607 CLA B CHB 1 ? ? +53938 HETATM C CHC . CLA EG 33 . ? -2.262 -25.668 -26.004 1.00 45.71 ? 607 CLA B CHC 1 ? ? +53939 HETATM C CHD . CLA EG 33 . ? -0.623 -21.145 -25.600 1.00 44.64 ? 607 CLA B CHD 1 ? ? +53940 HETATM N NA . CLA EG 33 . ? -2.408 -22.726 -30.127 1.00 45.72 ? 607 CLA B NA 1 ? ? +53941 HETATM C C1A . CLA EG 33 . ? -2.027 -21.738 -30.865 1.00 45.51 ? 607 CLA B C1A 1 ? ? +53942 HETATM C C2A . CLA EG 33 . ? -2.350 -21.845 -32.324 1.00 46.06 ? 607 CLA B C2A 1 ? ? +53943 HETATM C C3A . CLA EG 33 . ? -3.179 -23.098 -32.359 1.00 46.11 ? 607 CLA B C3A 1 ? ? +53944 HETATM C C4A . CLA EG 33 . ? -2.962 -23.618 -30.960 1.00 46.06 ? 607 CLA B C4A 1 ? ? +53945 HETATM C CMA . CLA EG 33 . ? -4.643 -22.837 -32.720 1.00 46.48 ? 607 CLA B CMA 1 ? ? +53946 HETATM C CAA . CLA EG 33 . ? -1.084 -21.944 -33.192 1.00 46.38 ? 607 CLA B CAA 1 ? ? +53947 HETATM C CBA . CLA EG 33 . ? -0.294 -23.148 -32.713 1.00 46.94 ? 607 CLA B CBA 1 ? ? +53948 HETATM C CGA . CLA EG 33 . ? 1.150 -23.180 -33.084 1.00 47.78 ? 607 CLA B CGA 1 ? ? +53949 HETATM O O1A . CLA EG 33 . ? 1.743 -22.335 -33.719 1.00 48.17 ? 607 CLA B O1A 1 ? ? +53950 HETATM O O2A . CLA EG 33 . ? 1.853 -24.345 -32.673 1.00 49.15 ? 607 CLA B O2A 1 ? ? +53951 HETATM N NB . CLA EG 33 . ? -2.756 -24.864 -28.308 1.00 46.06 ? 607 CLA B NB 1 ? ? +53952 HETATM C C1B . CLA EG 33 . ? -3.212 -25.535 -29.381 1.00 46.21 ? 607 CLA B C1B 1 ? ? +53953 HETATM C C2B . CLA EG 33 . ? -3.359 -26.997 -29.261 1.00 46.18 ? 607 CLA B C2B 1 ? ? +53954 HETATM C C3B . CLA EG 33 . ? -2.971 -27.189 -27.884 1.00 46.39 ? 607 CLA B C3B 1 ? ? +53955 HETATM C C4B . CLA EG 33 . ? -2.702 -25.846 -27.382 1.00 46.02 ? 607 CLA B C4B 1 ? ? +53956 HETATM C CMB . CLA EG 33 . ? -3.731 -27.989 -30.299 1.00 46.31 ? 607 CLA B CMB 1 ? ? +53957 HETATM C CAB . CLA EG 33 . ? -2.972 -28.401 -27.041 1.00 47.05 ? 607 CLA B CAB 1 ? ? +53958 HETATM C CBB . CLA EG 33 . ? -3.710 -29.451 -27.359 1.00 47.54 ? 607 CLA B CBB 1 ? ? +53959 HETATM N NC . CLA EG 33 . ? -1.612 -23.311 -26.308 1.00 45.18 ? 607 CLA B NC 1 ? ? +53960 HETATM C C1C . CLA EG 33 . ? -1.662 -24.436 -25.540 1.00 45.19 ? 607 CLA B C1C 1 ? ? +53961 HETATM C C2C . CLA EG 33 . ? -0.987 -24.445 -24.224 1.00 44.93 ? 607 CLA B C2C 1 ? ? +53962 HETATM C C3C . CLA EG 33 . ? -0.507 -23.097 -24.104 1.00 44.69 ? 607 CLA B C3C 1 ? ? +53963 HETATM C C4C . CLA EG 33 . ? -0.992 -22.515 -25.367 1.00 44.81 ? 607 CLA B C4C 1 ? ? +53964 HETATM C CMC . CLA EG 33 . ? -0.820 -25.550 -23.227 1.00 45.16 ? 607 CLA B CMC 1 ? ? +53965 HETATM C CAC . CLA EG 33 . ? 0.279 -22.472 -22.992 1.00 44.60 ? 607 CLA B CAC 1 ? ? +53966 HETATM C CBC . CLA EG 33 . ? 1.759 -22.582 -23.338 1.00 44.43 ? 607 CLA B CBC 1 ? ? +53967 HETATM N ND . CLA EG 33 . ? -1.110 -21.445 -28.056 1.00 44.80 ? 607 CLA B ND 1 ? ? +53968 HETATM C C1D . CLA EG 33 . ? -0.758 -20.603 -26.916 1.00 44.59 ? 607 CLA B C1D 1 ? ? +53969 HETATM C C2D . CLA EG 33 . ? -0.264 -19.258 -27.277 1.00 44.49 ? 607 CLA B C2D 1 ? ? +53970 HETATM C C3D . CLA EG 33 . ? -0.592 -19.271 -28.682 1.00 44.38 ? 607 CLA B C3D 1 ? ? +53971 HETATM C C4D . CLA EG 33 . ? -1.152 -20.437 -28.982 1.00 44.59 ? 607 CLA B C4D 1 ? ? +53972 HETATM C CMD . CLA EG 33 . ? 0.368 -18.099 -26.555 1.00 44.52 ? 607 CLA B CMD 1 ? ? +53973 HETATM C CAD . CLA EG 33 . ? -0.511 -18.435 -29.881 1.00 44.31 ? 607 CLA B CAD 1 ? ? +53974 HETATM O OBD . CLA EG 33 . ? -0.103 -17.242 -29.923 1.00 44.03 ? 607 CLA B OBD 1 ? ? +53975 HETATM C CBD . CLA EG 33 . ? -1.092 -19.189 -31.038 1.00 44.61 ? 607 CLA B CBD 1 ? ? +53976 HETATM C CGD . CLA EG 33 . ? -2.215 -18.367 -31.622 1.00 44.70 ? 607 CLA B CGD 1 ? ? +53977 HETATM O O1D . CLA EG 33 . ? -2.438 -18.258 -32.822 1.00 44.50 ? 607 CLA B O1D 1 ? ? +53978 HETATM O O2D . CLA EG 33 . ? -3.000 -17.585 -30.719 1.00 45.05 ? 607 CLA B O2D 1 ? ? +53979 HETATM C CED . CLA EG 33 . ? -4.048 -16.777 -31.268 1.00 45.62 ? 607 CLA B CED 1 ? ? +53980 HETATM C C1 . CLA EG 33 . ? 3.218 -24.490 -32.963 1.00 50.29 ? 607 CLA B C1 1 ? ? +53981 HETATM C C2 . CLA EG 33 . ? 3.519 -25.857 -32.443 1.00 51.48 ? 607 CLA B C2 1 ? ? +53982 HETATM C C3 . CLA EG 33 . ? 4.745 -26.372 -32.421 1.00 53.10 ? 607 CLA B C3 1 ? ? +53983 HETATM C C4 . CLA EG 33 . ? 5.917 -25.588 -32.940 1.00 52.69 ? 607 CLA B C4 1 ? ? +53984 HETATM C C5 . CLA EG 33 . ? 4.856 -27.778 -31.896 1.00 54.94 ? 607 CLA B C5 1 ? ? +53985 HETATM C C6 . CLA EG 33 . ? 5.878 -27.902 -30.802 1.00 56.80 ? 607 CLA B C6 1 ? ? +53986 HETATM C C7 . CLA EG 33 . ? 6.607 -29.224 -30.999 1.00 58.50 ? 607 CLA B C7 1 ? ? +53987 HETATM C C8 . CLA EG 33 . ? 7.664 -29.472 -29.934 1.00 60.40 ? 607 CLA B C8 1 ? ? +53988 HETATM C C9 . CLA EG 33 . ? 8.094 -28.365 -28.964 1.00 61.23 ? 607 CLA B C9 1 ? ? +53989 HETATM C C10 . CLA EG 33 . ? 8.062 -30.905 -29.705 1.00 62.53 ? 607 CLA B C10 1 ? ? +53990 HETATM C C11 . CLA EG 33 . ? 8.786 -31.132 -28.380 1.00 65.46 ? 607 CLA B C11 1 ? ? +53991 HETATM C C12 . CLA EG 33 . ? 9.602 -32.415 -28.515 1.00 68.28 ? 607 CLA B C12 1 ? ? +53992 HETATM C C13 . CLA EG 33 . ? 10.337 -32.818 -27.247 1.00 68.34 ? 607 CLA B C13 1 ? ? +53993 HETATM C C14 . CLA EG 33 . ? 11.421 -31.819 -26.896 1.00 67.84 ? 607 CLA B C14 1 ? ? +53994 HETATM C C15 . CLA EG 33 . ? 10.920 -34.182 -27.538 1.00 69.06 ? 607 CLA B C15 1 ? ? +53995 HETATM C C16 . CLA EG 33 . ? 11.200 -34.957 -26.265 1.00 70.50 ? 607 CLA B C16 1 ? ? +53996 HETATM C C17 . CLA EG 33 . ? 12.170 -36.049 -26.664 1.00 70.26 ? 607 CLA B C17 1 ? ? +53997 HETATM C C18 . CLA EG 33 . ? 12.328 -37.234 -25.746 1.00 70.69 ? 607 CLA B C18 1 ? ? +53998 HETATM C C19 . CLA EG 33 . ? 13.658 -37.949 -25.751 1.00 70.87 ? 607 CLA B C19 1 ? ? +53999 HETATM C C20 . CLA EG 33 . ? 11.290 -37.850 -24.802 1.00 73.26 ? 607 CLA B C20 1 ? ? +54000 HETATM MG MG . CLA EH 33 . ? 54.297 -57.148 -63.270 1.00 60.68 ? 502 CLA C MG 1 ? ? +54001 HETATM C CHA . CLA EH 33 . ? 51.715 -57.278 -65.528 1.00 60.01 ? 502 CLA C CHA 1 ? ? +54002 HETATM C CHB . CLA EH 33 . ? 53.074 -54.152 -62.147 1.00 59.22 ? 502 CLA C CHB 1 ? ? +54003 HETATM C CHC . CLA EH 33 . ? 55.886 -57.570 -60.140 1.00 61.04 ? 502 CLA C CHC 1 ? ? +54004 HETATM C CHD . CLA EH 33 . ? 54.533 -60.783 -63.559 1.00 61.67 ? 502 CLA C CHD 1 ? ? +54005 HETATM N NA . CLA EH 33 . ? 52.676 -55.981 -63.670 1.00 59.72 ? 502 CLA C NA 1 ? ? +54006 HETATM C C1A . CLA EH 33 . ? 51.821 -56.111 -64.645 1.00 59.55 ? 502 CLA C C1A 1 ? ? +54007 HETATM C C2A . CLA EH 33 . ? 50.961 -54.908 -64.938 1.00 58.94 ? 502 CLA C C2A 1 ? ? +54008 HETATM C C3A . CLA EH 33 . ? 51.471 -53.914 -63.931 1.00 58.70 ? 502 CLA C C3A 1 ? ? +54009 HETATM C C4A . CLA EH 33 . ? 52.456 -54.741 -63.163 1.00 59.22 ? 502 CLA C C4A 1 ? ? +54010 HETATM C CMA . CLA EH 33 . ? 52.137 -52.728 -64.625 1.00 58.92 ? 502 CLA C CMA 1 ? ? +54011 HETATM C CAA . CLA EH 33 . ? 49.453 -55.128 -64.809 1.00 58.26 ? 502 CLA C CAA 1 ? ? +54012 HETATM C CBA . CLA EH 33 . ? 49.077 -55.963 -63.608 1.00 58.08 ? 502 CLA C CBA 1 ? ? +54013 HETATM C CGA . CLA EH 33 . ? 48.793 -55.101 -62.417 1.00 57.77 ? 502 CLA C CGA 1 ? ? +54014 HETATM O O1A . CLA EH 33 . ? 47.885 -54.279 -62.383 1.00 57.23 ? 502 CLA C O1A 1 ? ? +54015 HETATM O O2A . CLA EH 33 . ? 49.630 -55.282 -61.255 1.00 58.41 ? 502 CLA C O2A 1 ? ? +54016 HETATM N NB . CLA EH 33 . ? 54.415 -56.107 -61.478 1.00 60.16 ? 502 CLA C NB 1 ? ? +54017 HETATM C C1B . CLA EH 33 . ? 53.969 -54.850 -61.236 1.00 59.66 ? 502 CLA C C1B 1 ? ? +54018 HETATM C C2B . CLA EH 33 . ? 54.285 -54.233 -59.932 1.00 59.47 ? 502 CLA C C2B 1 ? ? +54019 HETATM C C3B . CLA EH 33 . ? 55.092 -55.252 -59.328 1.00 60.05 ? 502 CLA C C3B 1 ? ? +54020 HETATM C C4B . CLA EH 33 . ? 55.167 -56.320 -60.362 1.00 60.44 ? 502 CLA C C4B 1 ? ? +54021 HETATM C CMB . CLA EH 33 . ? 53.903 -52.906 -59.365 1.00 58.98 ? 502 CLA C CMB 1 ? ? +54022 HETATM C CAB . CLA EH 33 . ? 55.694 -55.061 -57.984 1.00 60.23 ? 502 CLA C CAB 1 ? ? +54023 HETATM C CBB . CLA EH 33 . ? 56.579 -55.863 -57.442 1.00 60.84 ? 502 CLA C CBB 1 ? ? +54024 HETATM N NC . CLA EH 33 . ? 54.996 -58.769 -62.121 1.00 61.12 ? 502 CLA C NC 1 ? ? +54025 HETATM C C1C . CLA EH 33 . ? 55.683 -58.762 -60.946 1.00 61.28 ? 502 CLA C C1C 1 ? ? +54026 HETATM C C2C . CLA EH 33 . ? 56.152 -60.058 -60.381 1.00 61.78 ? 502 CLA C C2C 1 ? ? +54027 HETATM C C3C . CLA EH 33 . ? 55.759 -60.998 -61.421 1.00 61.93 ? 502 CLA C C3C 1 ? ? +54028 HETATM C C4C . CLA EH 33 . ? 55.123 -60.110 -62.410 1.00 61.56 ? 502 CLA C C4C 1 ? ? +54029 HETATM C CMC . CLA EH 33 . ? 56.883 -60.352 -59.084 1.00 62.04 ? 502 CLA C CMC 1 ? ? +54030 HETATM C CAC . CLA EH 33 . ? 55.945 -62.494 -61.476 1.00 62.41 ? 502 CLA C CAC 1 ? ? +54031 HETATM C CBC . CLA EH 33 . ? 54.738 -63.177 -60.867 1.00 61.90 ? 502 CLA C CBC 1 ? ? +54032 HETATM N ND . CLA EH 33 . ? 53.176 -58.706 -64.000 1.00 60.62 ? 502 CLA C ND 1 ? ? +54033 HETATM C C1D . CLA EH 33 . ? 53.655 -60.040 -64.419 1.00 61.17 ? 502 CLA C C1D 1 ? ? +54034 HETATM C C2D . CLA EH 33 . ? 53.046 -60.577 -65.663 1.00 61.17 ? 502 CLA C C2D 1 ? ? +54035 HETATM C C3D . CLA EH 33 . ? 52.313 -59.396 -66.072 1.00 60.78 ? 502 CLA C C3D 1 ? ? +54036 HETATM C C4D . CLA EH 33 . ? 52.507 -58.424 -65.179 1.00 60.49 ? 502 CLA C C4D 1 ? ? +54037 HETATM C CMD . CLA EH 33 . ? 53.078 -61.836 -66.464 1.00 61.61 ? 502 CLA C CMD 1 ? ? +54038 HETATM C CAD . CLA EH 33 . ? 51.415 -58.906 -67.136 1.00 60.61 ? 502 CLA C CAD 1 ? ? +54039 HETATM O OBD . CLA EH 33 . ? 51.080 -59.599 -68.154 1.00 60.81 ? 502 CLA C OBD 1 ? ? +54040 HETATM C CBD . CLA EH 33 . ? 51.025 -57.492 -66.833 1.00 60.17 ? 502 CLA C CBD 1 ? ? +54041 HETATM C CGD . CLA EH 33 . ? 51.571 -56.581 -67.870 1.00 60.77 ? 502 CLA C CGD 1 ? ? +54042 HETATM O O1D . CLA EH 33 . ? 52.735 -56.238 -67.852 1.00 61.67 ? 502 CLA C O1D 1 ? ? +54043 HETATM O O2D . CLA EH 33 . ? 50.814 -56.103 -68.987 1.00 60.91 ? 502 CLA C O2D 1 ? ? +54044 HETATM C CED . CLA EH 33 . ? 51.567 -56.024 -70.215 1.00 61.56 ? 502 CLA C CED 1 ? ? +54045 HETATM C C1 . CLA EH 33 . ? 49.449 -54.473 -60.095 1.00 58.27 ? 502 CLA C C1 1 ? ? +54046 HETATM C C2 . CLA EH 33 . ? 50.628 -54.697 -59.187 1.00 58.98 ? 502 CLA C C2 1 ? ? +54047 HETATM C C3 . CLA EH 33 . ? 50.509 -54.934 -57.881 1.00 59.24 ? 502 CLA C C3 1 ? ? +54048 HETATM C C4 . CLA EH 33 . ? 49.172 -55.013 -57.219 1.00 58.61 ? 502 CLA C C4 1 ? ? +54049 HETATM C C5 . CLA EH 33 . ? 51.742 -55.166 -57.056 1.00 60.25 ? 502 CLA C C5 1 ? ? +54050 HETATM C C6 . CLA EH 33 . ? 52.081 -54.004 -56.137 1.00 60.47 ? 502 CLA C C6 1 ? ? +54051 HETATM C C7 . CLA EH 33 . ? 53.233 -54.481 -55.243 1.00 61.51 ? 502 CLA C C7 1 ? ? +54052 HETATM C C8 . CLA EH 33 . ? 53.989 -53.380 -54.501 1.00 62.08 ? 502 CLA C C8 1 ? ? +54053 HETATM C C9 . CLA EH 33 . ? 53.869 -51.902 -54.888 1.00 61.88 ? 502 CLA C C9 1 ? ? +54054 HETATM C C10 . CLA EH 33 . ? 54.732 -53.581 -53.178 1.00 62.75 ? 502 CLA C C10 1 ? ? +54055 HETATM C C11 . CLA EH 33 . ? 54.293 -54.764 -52.308 1.00 62.77 ? 502 CLA C C11 1 ? ? +54056 HETATM C C12 . CLA EH 33 . ? 55.365 -55.026 -51.246 1.00 63.44 ? 502 CLA C C12 1 ? ? +54057 HETATM C C13 . CLA EH 33 . ? 54.957 -56.169 -50.330 1.00 63.58 ? 502 CLA C C13 1 ? ? +54058 HETATM C C14 . CLA EH 33 . ? 53.978 -55.696 -49.274 1.00 62.89 ? 502 CLA C C14 1 ? ? +54059 HETATM C C15 . CLA EH 33 . ? 56.154 -56.820 -49.661 1.00 64.83 ? 502 CLA C C15 1 ? ? +54060 HETATM C C16 . CLA EH 33 . ? 57.114 -55.867 -48.960 1.00 65.41 ? 502 CLA C C16 1 ? ? +54061 HETATM C C17 . CLA EH 33 . ? 57.829 -56.668 -47.879 1.00 66.48 ? 502 CLA C C17 1 ? ? +54062 HETATM C C18 . CLA EH 33 . ? 58.792 -55.846 -47.028 1.00 67.56 ? 502 CLA C C18 1 ? ? +54063 HETATM C C19 . CLA EH 33 . ? 59.680 -56.582 -46.025 1.00 68.61 ? 502 CLA C C19 1 ? ? +54064 HETATM C C20 . CLA EH 33 . ? 59.190 -54.442 -47.403 1.00 68.06 ? 502 CLA C C20 1 ? ? +54065 HETATM C C1 . BCR EI 30 . ? -8.136 -67.558 -46.431 1.00 59.13 ? 404 BCR D C1 1 ? ? +54066 HETATM C C2 . BCR EI 30 . ? -9.250 -66.564 -46.781 1.00 59.03 ? 404 BCR D C2 1 ? ? +54067 HETATM C C3 . BCR EI 30 . ? -9.003 -65.795 -48.031 1.00 58.69 ? 404 BCR D C3 1 ? ? +54068 HETATM C C4 . BCR EI 30 . ? -7.649 -65.084 -48.017 1.00 57.82 ? 404 BCR D C4 1 ? ? +54069 HETATM C C5 . BCR EI 30 . ? -6.521 -65.931 -47.503 1.00 57.68 ? 404 BCR D C5 1 ? ? +54070 HETATM C C6 . BCR EI 30 . ? -6.747 -67.092 -46.847 1.00 58.30 ? 404 BCR D C6 1 ? ? +54071 HETATM C C7 . BCR EI 30 . ? -5.694 -67.947 -46.371 1.00 58.33 ? 404 BCR D C7 1 ? ? +54072 HETATM C C8 . BCR EI 30 . ? -4.469 -68.141 -46.912 1.00 58.14 ? 404 BCR D C8 1 ? ? +54073 HETATM C C9 . BCR EI 30 . ? -3.406 -68.822 -46.317 1.00 58.08 ? 404 BCR D C9 1 ? ? +54074 HETATM C C10 . BCR EI 30 . ? -2.283 -69.121 -47.074 1.00 58.00 ? 404 BCR D C10 1 ? ? +54075 HETATM C C11 . BCR EI 30 . ? -1.094 -69.677 -46.673 1.00 58.09 ? 404 BCR D C11 1 ? ? +54076 HETATM C C33 . BCR EI 30 . ? -5.176 -65.308 -47.758 1.00 56.94 ? 404 BCR D C33 1 ? ? +54077 HETATM C C31 . BCR EI 30 . ? -8.434 -68.902 -47.119 1.00 60.00 ? 404 BCR D C31 1 ? ? +54078 HETATM C C32 . BCR EI 30 . ? -8.218 -67.784 -44.911 1.00 59.20 ? 404 BCR D C32 1 ? ? +54079 HETATM C C34 . BCR EI 30 . ? -3.390 -69.211 -44.882 1.00 58.03 ? 404 BCR D C34 1 ? ? +54080 HETATM C C12 . BCR EI 30 . ? -0.020 -69.842 -47.521 1.00 58.11 ? 404 BCR D C12 1 ? ? +54081 HETATM C C13 . BCR EI 30 . ? 1.320 -70.105 -47.242 1.00 57.90 ? 404 BCR D C13 1 ? ? +54082 HETATM C C14 . BCR EI 30 . ? 2.271 -70.085 -48.282 1.00 57.99 ? 404 BCR D C14 1 ? ? +54083 HETATM C C15 . BCR EI 30 . ? 3.638 -70.249 -48.253 1.00 58.07 ? 404 BCR D C15 1 ? ? +54084 HETATM C C16 . BCR EI 30 . ? 4.558 -70.123 -49.271 1.00 58.31 ? 404 BCR D C16 1 ? ? +54085 HETATM C C17 . BCR EI 30 . ? 5.917 -70.211 -49.155 1.00 58.76 ? 404 BCR D C17 1 ? ? +54086 HETATM C C18 . BCR EI 30 . ? 6.941 -70.015 -50.095 1.00 59.23 ? 404 BCR D C18 1 ? ? +54087 HETATM C C19 . BCR EI 30 . ? 8.277 -70.137 -49.691 1.00 60.01 ? 404 BCR D C19 1 ? ? +54088 HETATM C C20 . BCR EI 30 . ? 9.446 -70.012 -50.409 1.00 60.91 ? 404 BCR D C20 1 ? ? +54089 HETATM C C21 . BCR EI 30 . ? 10.710 -69.996 -49.854 1.00 61.76 ? 404 BCR D C21 1 ? ? +54090 HETATM C C22 . BCR EI 30 . ? 11.955 -69.883 -50.476 1.00 63.04 ? 404 BCR D C22 1 ? ? +54091 HETATM C C23 . BCR EI 30 . ? 13.096 -69.742 -49.693 1.00 64.85 ? 404 BCR D C23 1 ? ? +54092 HETATM C C24 . BCR EI 30 . ? 14.400 -69.818 -50.090 1.00 67.20 ? 404 BCR D C24 1 ? ? +54093 HETATM C C25 . BCR EI 30 . ? 15.602 -69.414 -49.339 1.00 69.08 ? 404 BCR D C25 1 ? ? +54094 HETATM C C26 . BCR EI 30 . ? 15.608 -68.450 -48.393 1.00 70.27 ? 404 BCR D C26 1 ? ? +54095 HETATM C C27 . BCR EI 30 . ? 16.847 -68.185 -47.587 1.00 70.46 ? 404 BCR D C27 1 ? ? +54096 HETATM C C28 . BCR EI 30 . ? 17.645 -69.456 -47.340 1.00 70.66 ? 404 BCR D C28 1 ? ? +54097 HETATM C C29 . BCR EI 30 . ? 18.014 -70.075 -48.636 1.00 70.42 ? 404 BCR D C29 1 ? ? +54098 HETATM C C30 . BCR EI 30 . ? 16.846 -70.238 -49.618 1.00 70.09 ? 404 BCR D C30 1 ? ? +54099 HETATM C C35 . BCR EI 30 . ? 1.731 -70.364 -45.839 1.00 57.70 ? 404 BCR D C35 1 ? ? +54100 HETATM C C36 . BCR EI 30 . ? 6.615 -69.636 -51.500 1.00 59.01 ? 404 BCR D C36 1 ? ? +54101 HETATM C C37 . BCR EI 30 . ? 11.985 -69.867 -51.957 1.00 62.89 ? 404 BCR D C37 1 ? ? +54102 HETATM C C38 . BCR EI 30 . ? 14.447 -67.565 -48.025 1.00 71.28 ? 404 BCR D C38 1 ? ? +54103 HETATM C C39 . BCR EI 30 . ? 16.458 -71.728 -49.588 1.00 70.98 ? 404 BCR D C39 1 ? ? +54104 HETATM C C40 . BCR EI 30 . ? 17.368 -69.875 -51.017 1.00 69.98 ? 404 BCR D C40 1 ? ? +54105 HETATM C C1 . GOL EJ 38 . ? 6.277 -21.407 -63.439 1.00 85.97 ? 303 GOL O C1 1 ? ? +54106 HETATM O O1 . GOL EJ 38 . ? 7.214 -22.386 -63.889 1.00 82.86 ? 303 GOL O O1 1 ? ? +54107 HETATM C C2 . GOL EJ 38 . ? 5.867 -21.599 -61.991 1.00 87.80 ? 303 GOL O C2 1 ? ? +54108 HETATM O O2 . GOL EJ 38 . ? 5.527 -20.336 -61.417 1.00 85.75 ? 303 GOL O O2 1 ? ? +54109 HETATM C C3 . GOL EJ 38 . ? 4.706 -22.561 -61.824 1.00 91.07 ? 303 GOL O C3 1 ? ? +54110 HETATM O O3 . GOL EJ 38 . ? 4.842 -23.355 -60.646 1.00 92.04 ? 303 GOL O O3 1 ? ? +54111 HETATM MG MG . CLA EK 33 . ? 61.108 17.021 -15.581 1.00 84.83 ? 601 CLA b MG 1 ? ? +54112 HETATM C CHA . CLA EK 33 . ? 63.916 18.683 -16.589 1.00 84.91 ? 601 CLA b CHA 1 ? ? +54113 HETATM C CHB . CLA EK 33 . ? 63.056 14.252 -15.086 1.00 83.84 ? 601 CLA b CHB 1 ? ? +54114 HETATM C CHC . CLA EK 33 . ? 58.862 15.735 -13.155 1.00 79.74 ? 601 CLA b CHC 1 ? ? +54115 HETATM C CHD . CLA EK 33 . ? 59.554 20.272 -14.829 1.00 81.30 ? 601 CLA b CHD 1 ? ? +54116 HETATM N NA . CLA EK 33 . ? 63.073 16.547 -15.776 1.00 85.26 ? 601 CLA b NA 1 ? ? +54117 HETATM C C1A . CLA EK 33 . ? 64.032 17.259 -16.266 1.00 85.90 ? 601 CLA b C1A 1 ? ? +54118 HETATM C C2A . CLA EK 33 . ? 65.273 16.498 -16.678 1.00 88.38 ? 601 CLA b C2A 1 ? ? +54119 HETATM C C3A . CLA EK 33 . ? 64.901 15.085 -16.315 1.00 87.01 ? 601 CLA b C3A 1 ? ? +54120 HETATM C C4A . CLA EK 33 . ? 63.581 15.306 -15.664 1.00 85.18 ? 601 CLA b C4A 1 ? ? +54121 HETATM C CMA . CLA EK 33 . ? 64.777 14.137 -17.509 1.00 86.36 ? 601 CLA b CMA 1 ? ? +54122 HETATM C CAA . CLA EK 33 . ? 66.590 16.937 -16.023 1.00 91.29 ? 601 CLA b CAA 1 ? ? +54123 HETATM C CBA . CLA EK 33 . ? 66.534 16.916 -14.499 1.00 93.86 ? 601 CLA b CBA 1 ? ? +54124 HETATM C CGA . CLA EK 33 . ? 67.509 17.866 -13.837 1.00 99.24 ? 601 CLA b CGA 1 ? ? +54125 HETATM O O1A . CLA EK 33 . ? 67.240 18.193 -12.688 1.00 98.63 ? 601 CLA b O1A 1 ? ? +54126 HETATM O O2A . CLA EK 33 . ? 68.743 18.341 -14.518 1.00 108.65 ? 601 CLA b O2A 1 ? ? +54127 HETATM N NB . CLA EK 33 . ? 60.991 15.367 -14.338 1.00 81.99 ? 601 CLA b NB 1 ? ? +54128 HETATM C C1B . CLA EK 33 . ? 61.811 14.285 -14.347 1.00 82.36 ? 601 CLA b C1B 1 ? ? +54129 HETATM C C2B . CLA EK 33 . ? 61.512 13.148 -13.444 1.00 81.27 ? 601 CLA b C2B 1 ? ? +54130 HETATM C C3B . CLA EK 33 . ? 60.267 13.598 -12.841 1.00 80.53 ? 601 CLA b C3B 1 ? ? +54131 HETATM C C4B . CLA EK 33 . ? 60.006 14.915 -13.504 1.00 80.84 ? 601 CLA b C4B 1 ? ? +54132 HETATM C CMB . CLA EK 33 . ? 62.278 11.874 -13.229 1.00 81.53 ? 601 CLA b CMB 1 ? ? +54133 HETATM C CAB . CLA EK 33 . ? 59.495 12.749 -11.892 1.00 79.31 ? 601 CLA b CAB 1 ? ? +54134 HETATM C CBB . CLA EK 33 . ? 58.226 12.945 -11.598 1.00 78.82 ? 601 CLA b CBB 1 ? ? +54135 HETATM N NC . CLA EK 33 . ? 59.638 17.808 -14.288 1.00 81.54 ? 601 CLA b NC 1 ? ? +54136 HETATM C C1C . CLA EK 33 . ? 58.765 17.148 -13.470 1.00 79.89 ? 601 CLA b C1C 1 ? ? +54137 HETATM C C2C . CLA EK 33 . ? 57.718 17.924 -12.754 1.00 78.81 ? 601 CLA b C2C 1 ? ? +54138 HETATM C C3C . CLA EK 33 . ? 57.919 19.256 -13.256 1.00 78.96 ? 601 CLA b C3C 1 ? ? +54139 HETATM C C4C . CLA EK 33 . ? 59.045 19.061 -14.199 1.00 80.54 ? 601 CLA b C4C 1 ? ? +54140 HETATM C CMC . CLA EK 33 . ? 56.667 17.486 -11.769 1.00 77.93 ? 601 CLA b CMC 1 ? ? +54141 HETATM C CAC . CLA EK 33 . ? 57.104 20.487 -12.948 1.00 78.21 ? 601 CLA b CAC 1 ? ? +54142 HETATM C CBC . CLA EK 33 . ? 56.189 20.668 -14.153 1.00 76.89 ? 601 CLA b CBC 1 ? ? +54143 HETATM N ND . CLA EK 33 . ? 61.668 18.969 -15.359 1.00 83.34 ? 601 CLA b ND 1 ? ? +54144 HETATM C C1D . CLA EK 33 . ? 60.838 20.193 -15.482 1.00 82.38 ? 601 CLA b C1D 1 ? ? +54145 HETATM C C2D . CLA EK 33 . ? 61.527 21.325 -16.155 1.00 82.86 ? 601 CLA b C2D 1 ? ? +54146 HETATM C C3D . CLA EK 33 . ? 62.741 20.626 -16.589 1.00 84.38 ? 601 CLA b C3D 1 ? ? +54147 HETATM C C4D . CLA EK 33 . ? 62.686 19.340 -16.223 1.00 84.19 ? 601 CLA b C4D 1 ? ? +54148 HETATM C CMD . CLA EK 33 . ? 61.280 22.777 -16.444 1.00 82.91 ? 601 CLA b CMD 1 ? ? +54149 HETATM C CAD . CLA EK 33 . ? 63.998 20.867 -17.338 1.00 85.36 ? 601 CLA b CAD 1 ? ? +54150 HETATM O OBD . CLA EK 33 . ? 64.326 21.992 -17.849 1.00 86.02 ? 601 CLA b OBD 1 ? ? +54151 HETATM C CBD . CLA EK 33 . ? 64.801 19.606 -17.369 1.00 85.23 ? 601 CLA b CBD 1 ? ? +54152 HETATM C CGD . CLA EK 33 . ? 65.050 19.123 -18.768 1.00 84.26 ? 601 CLA b CGD 1 ? ? +54153 HETATM O O1D . CLA EK 33 . ? 66.141 18.698 -19.088 1.00 84.75 ? 601 CLA b O1D 1 ? ? +54154 HETATM O O2D . CLA EK 33 . ? 64.040 19.129 -19.798 1.00 82.64 ? 601 CLA b O2D 1 ? ? +54155 HETATM C CED . CLA EK 33 . ? 64.332 18.387 -20.981 1.00 82.30 ? 601 CLA b CED 1 ? ? +54156 HETATM C C1 . CLA EK 33 . ? 69.297 19.691 -14.586 1.00 114.11 ? 601 CLA b C1 1 ? ? +54157 HETATM C C2 . CLA EK 33 . ? 68.260 20.772 -14.298 1.00 117.12 ? 601 CLA b C2 1 ? ? +54158 HETATM C C3 . CLA EK 33 . ? 67.987 21.898 -15.018 1.00 118.64 ? 601 CLA b C3 1 ? ? +54159 HETATM C C4 . CLA EK 33 . ? 68.736 22.248 -16.279 1.00 119.08 ? 601 CLA b C4 1 ? ? +54160 HETATM C C5 . CLA EK 33 . ? 66.874 22.819 -14.520 1.00 117.00 ? 601 CLA b C5 1 ? ? +54161 HETATM C C6 . CLA EK 33 . ? 65.539 22.068 -14.316 1.00 114.78 ? 601 CLA b C6 1 ? ? +54162 HETATM C C7 . CLA EK 33 . ? 65.451 21.463 -12.898 1.00 113.81 ? 601 CLA b C7 1 ? ? +54163 HETATM C C8 . CLA EK 33 . ? 64.161 20.751 -12.438 1.00 112.69 ? 601 CLA b C8 1 ? ? +54164 HETATM C C9 . CLA EK 33 . ? 62.943 21.545 -11.978 1.00 111.41 ? 601 CLA b C9 1 ? ? +54165 HETATM C C10 . CLA EK 33 . ? 63.962 19.256 -12.610 1.00 111.16 ? 601 CLA b C10 1 ? ? +54166 HETATM C C11 . CLA EK 33 . ? 63.370 18.699 -11.305 1.00 107.92 ? 601 CLA b C11 1 ? ? +54167 HETATM C C12 . CLA EK 33 . ? 62.674 17.355 -11.436 1.00 105.32 ? 601 CLA b C12 1 ? ? +54168 HETATM C C13 . CLA EK 33 . ? 63.283 16.299 -10.507 1.00 106.00 ? 601 CLA b C13 1 ? ? +54169 HETATM C C14 . CLA EK 33 . ? 64.304 15.463 -11.281 1.00 108.41 ? 601 CLA b C14 1 ? ? +54170 HETATM C C15 . CLA EK 33 . ? 62.181 15.435 -9.897 1.00 103.81 ? 601 CLA b C15 1 ? ? +54171 HETATM C C16 . CLA EK 33 . ? 62.649 14.507 -8.767 1.00 103.98 ? 601 CLA b C16 1 ? ? +54172 HETATM C C17 . CLA EK 33 . ? 61.822 13.209 -8.757 1.00 101.66 ? 601 CLA b C17 1 ? ? +54173 HETATM C C18 . CLA EK 33 . ? 62.350 12.044 -7.895 1.00 101.15 ? 601 CLA b C18 1 ? ? +54174 HETATM C C19 . CLA EK 33 . ? 63.671 12.124 -7.119 1.00 103.99 ? 601 CLA b C19 1 ? ? +54175 HETATM C C20 . CLA EK 33 . ? 61.433 10.839 -7.580 1.00 99.11 ? 601 CLA b C20 1 ? ? +54176 HETATM C C1B . LMT EL 37 . ? 22.456 -8.918 -41.175 1.00 133.36 ? 627 LMT b C1B 1 ? ? +54177 HETATM O O1B . LMT EL 37 . ? 23.772 -9.285 -40.827 1.00 142.20 ? 627 LMT b O1B 1 ? ? +54178 HETATM C C1' . LMT EL 37 . ? 25.678 -11.076 -37.529 1.00 116.27 ? 627 LMT b C1' 1 ? ? +54179 HETATM C C2' . LMT EL 37 . ? 24.592 -11.885 -38.237 1.00 127.10 ? 627 LMT b C2' 1 ? ? +54180 HETATM C C3' . LMT EL 37 . ? 24.248 -11.303 -39.611 1.00 138.20 ? 627 LMT b C3' 1 ? ? +54181 HETATM C C4' . LMT EL 37 . ? 24.010 -9.803 -39.507 1.00 140.53 ? 627 LMT b C4' 1 ? ? +54182 HETATM C C5' . LMT EL 37 . ? 25.228 -9.130 -38.875 1.00 134.54 ? 627 LMT b C5' 1 ? ? +54183 HETATM C C6' . LMT EL 37 . ? 25.085 -7.632 -38.700 1.00 135.68 ? 627 LMT b C6' 1 ? ? +54184 HETATM O O1' . LMT EL 37 . ? 25.683 -11.450 -36.180 1.00 99.26 ? 627 LMT b O1' 1 ? ? +54185 HETATM O O2' . LMT EL 37 . ? 25.007 -13.243 -38.361 1.00 123.82 ? 627 LMT b O2' 1 ? ? +54186 HETATM O O3' . LMT EL 37 . ? 23.086 -11.962 -40.125 1.00 138.12 ? 627 LMT b O3' 1 ? ? +54187 HETATM O O5' . LMT EL 37 . ? 25.426 -9.681 -37.560 1.00 123.08 ? 627 LMT b O5' 1 ? ? +54188 HETATM O O6' . LMT EL 37 . ? 24.253 -7.299 -37.586 1.00 134.56 ? 627 LMT b O6' 1 ? ? +54189 HETATM C C1 . LMT EL 37 . ? 26.669 -12.431 -35.823 1.00 88.79 ? 627 LMT b C1 1 ? ? +54190 HETATM C C2 . LMT EL 37 . ? 27.133 -12.126 -34.443 1.00 83.36 ? 627 LMT b C2 1 ? ? +54191 HETATM C C3 . LMT EL 37 . ? 27.770 -13.308 -33.765 1.00 80.69 ? 627 LMT b C3 1 ? ? +54192 HETATM C C4 . LMT EL 37 . ? 29.234 -13.462 -34.062 1.00 77.93 ? 627 LMT b C4 1 ? ? +54193 HETATM C C5 . LMT EL 37 . ? 29.870 -14.622 -33.357 1.00 77.83 ? 627 LMT b C5 1 ? ? +54194 HETATM C C6 . LMT EL 37 . ? 30.583 -14.235 -32.090 1.00 81.31 ? 627 LMT b C6 1 ? ? +54195 HETATM C C7 . LMT EL 37 . ? 31.434 -15.326 -31.475 1.00 82.08 ? 627 LMT b C7 1 ? ? +54196 HETATM C C8 . LMT EL 37 . ? 31.091 -15.634 -30.034 1.00 81.72 ? 627 LMT b C8 1 ? ? +54197 HETATM C C9 . LMT EL 37 . ? 32.165 -16.392 -29.277 1.00 82.68 ? 627 LMT b C9 1 ? ? +54198 HETATM C C10 . LMT EL 37 . ? 31.699 -17.685 -28.651 1.00 82.12 ? 627 LMT b C10 1 ? ? +54199 HETATM C C11 . LMT EL 37 . ? 30.508 -17.558 -27.728 1.00 80.77 ? 627 LMT b C11 1 ? ? +54200 HETATM C C12 . LMT EL 37 . ? 30.266 -18.807 -26.924 1.00 80.83 ? 627 LMT b C12 1 ? ? +54201 HETATM CA CA . CA EM 31 . ? 6.300 14.981 47.285 1.00 87.66 2 524 CA c CA 1 ? ? +54202 HETATM CL CL A CL EN 45 . ? 22.571 -31.107 -56.516 0.40 41.79 ? 402 CL A CL 1 ? ? +54203 HETATM CL CL B CL EN 45 . ? 22.360 -31.374 -56.015 0.60 41.69 ? 402 CL A CL 1 ? ? +54204 HETATM MG MG . CLA EO 33 . ? -4.757 -52.983 -22.231 1.00 51.52 ? 608 CLA B MG 1 ? ? +54205 HETATM C CHA . CLA EO 33 . ? -5.769 -54.423 -19.330 1.00 52.70 ? 608 CLA B CHA 1 ? ? +54206 HETATM C CHB . CLA EO 33 . ? -2.227 -55.276 -22.414 1.00 51.79 ? 608 CLA B CHB 1 ? ? +54207 HETATM C CHC . CLA EO 33 . ? -4.384 -52.457 -25.737 1.00 50.90 ? 608 CLA B CHC 1 ? ? +54208 HETATM C CHD . CLA EO 33 . ? -8.075 -51.655 -22.668 1.00 51.85 ? 608 CLA B CHD 1 ? ? +54209 HETATM N NA . CLA EO 33 . ? -4.138 -54.576 -21.141 1.00 52.13 ? 608 CLA B NA 1 ? ? +54210 HETATM C C1A . CLA EO 33 . ? -4.587 -54.996 -19.998 1.00 52.59 ? 608 CLA B C1A 1 ? ? +54211 HETATM C C2A . CLA EO 33 . ? -3.669 -55.920 -19.246 1.00 52.94 ? 608 CLA B C2A 1 ? ? +54212 HETATM C C3A . CLA EO 33 . ? -2.479 -55.946 -20.146 1.00 52.47 ? 608 CLA B C3A 1 ? ? +54213 HETATM C C4A . CLA EO 33 . ? -2.988 -55.237 -21.339 1.00 52.09 ? 608 CLA B C4A 1 ? ? +54214 HETATM C CMA . CLA EO 33 . ? -1.312 -55.122 -19.593 1.00 52.04 ? 608 CLA B CMA 1 ? ? +54215 HETATM C CAA . CLA EO 33 . ? -4.195 -57.305 -18.916 1.00 53.90 ? 608 CLA B CAA 1 ? ? +54216 HETATM C CBA . CLA EO 33 . ? -4.562 -58.153 -20.124 1.00 54.33 ? 608 CLA B CBA 1 ? ? +54217 HETATM C CGA . CLA EO 33 . ? -5.780 -57.605 -20.841 1.00 54.52 ? 608 CLA B CGA 1 ? ? +54218 HETATM O O1A . CLA EO 33 . ? -6.752 -57.154 -20.263 1.00 54.59 ? 608 CLA B O1A 1 ? ? +54219 HETATM O O2A . CLA EO 33 . ? -5.745 -57.609 -22.278 1.00 54.75 ? 608 CLA B O2A 1 ? ? +54220 HETATM N NB . CLA EO 33 . ? -3.588 -53.742 -23.780 1.00 51.44 ? 608 CLA B NB 1 ? ? +54221 HETATM C C1B . CLA EO 33 . ? -2.533 -54.592 -23.664 1.00 51.52 ? 608 CLA B C1B 1 ? ? +54222 HETATM C C2B . CLA EO 33 . ? -1.749 -54.927 -24.880 1.00 51.37 ? 608 CLA B C2B 1 ? ? +54223 HETATM C C3B . CLA EO 33 . ? -2.431 -54.105 -25.873 1.00 51.12 ? 608 CLA B C3B 1 ? ? +54224 HETATM C C4B . CLA EO 33 . ? -3.464 -53.380 -25.085 1.00 51.14 ? 608 CLA B C4B 1 ? ? +54225 HETATM C CMB . CLA EO 33 . ? -0.585 -55.878 -25.002 1.00 51.41 ? 608 CLA B CMB 1 ? ? +54226 HETATM C CAB . CLA EO 33 . ? -2.079 -53.879 -27.305 1.00 50.94 ? 608 CLA B CAB 1 ? ? +54227 HETATM C CBB . CLA EO 33 . ? -0.871 -54.149 -27.813 1.00 50.74 ? 608 CLA B CBB 1 ? ? +54228 HETATM N NC . CLA EO 33 . ? -5.949 -52.299 -23.809 1.00 51.40 ? 608 CLA B NC 1 ? ? +54229 HETATM C C1C . CLA EO 33 . ? -5.610 -52.035 -25.105 1.00 51.08 ? 608 CLA B C1C 1 ? ? +54230 HETATM C C2C . CLA EO 33 . ? -6.603 -51.420 -25.986 1.00 51.07 ? 608 CLA B C2C 1 ? ? +54231 HETATM C C3C . CLA EO 33 . ? -7.703 -51.187 -25.070 1.00 51.44 ? 608 CLA B C3C 1 ? ? +54232 HETATM C C4C . CLA EO 33 . ? -7.174 -51.691 -23.798 1.00 51.52 ? 608 CLA B C4C 1 ? ? +54233 HETATM C CMC . CLA EO 33 . ? -6.527 -51.095 -27.453 1.00 50.83 ? 608 CLA B CMC 1 ? ? +54234 HETATM C CAC . CLA EO 33 . ? -9.032 -50.556 -25.359 1.00 51.70 ? 608 CLA B CAC 1 ? ? +54235 HETATM C CBC . CLA EO 33 . ? -8.863 -49.096 -25.038 1.00 51.23 ? 608 CLA B CBC 1 ? ? +54236 HETATM N ND . CLA EO 33 . ? -6.627 -53.288 -21.466 1.00 52.13 ? 608 CLA B ND 1 ? ? +54237 HETATM C C1D . CLA EO 33 . ? -7.708 -52.317 -21.454 1.00 52.06 ? 608 CLA B C1D 1 ? ? +54238 HETATM C C2D . CLA EO 33 . ? -8.433 -52.200 -20.158 1.00 52.50 ? 608 CLA B C2D 1 ? ? +54239 HETATM C C3D . CLA EO 33 . ? -7.594 -53.060 -19.315 1.00 52.62 ? 608 CLA B C3D 1 ? ? +54240 HETATM C C4D . CLA EO 33 . ? -6.612 -53.538 -20.095 1.00 52.40 ? 608 CLA B C4D 1 ? ? +54241 HETATM C CMD . CLA EO 33 . ? -9.651 -51.460 -19.663 1.00 52.76 ? 608 CLA B CMD 1 ? ? +54242 HETATM C CAD . CLA EO 33 . ? -7.437 -53.578 -17.926 1.00 52.99 ? 608 CLA B CAD 1 ? ? +54243 HETATM O OBD . CLA EO 33 . ? -8.145 -53.362 -16.873 1.00 53.35 ? 608 CLA B OBD 1 ? ? +54244 HETATM C CBD . CLA EO 33 . ? -6.248 -54.481 -17.909 1.00 53.04 ? 608 CLA B CBD 1 ? ? +54245 HETATM C CGD . CLA EO 33 . ? -5.300 -54.052 -16.839 1.00 52.70 ? 608 CLA B CGD 1 ? ? +54246 HETATM O O1D . CLA EO 33 . ? -4.622 -53.065 -16.924 1.00 52.04 ? 608 CLA B O1D 1 ? ? +54247 HETATM O O2D . CLA EO 33 . ? -5.224 -54.807 -15.627 1.00 53.19 ? 608 CLA B O2D 1 ? ? +54248 HETATM C CED . CLA EO 33 . ? -4.297 -54.310 -14.674 1.00 53.04 ? 608 CLA B CED 1 ? ? +54249 HETATM C C1 . CLA EO 33 . ? -6.798 -57.006 -22.997 1.00 55.07 ? 608 CLA B C1 1 ? ? +54250 HETATM C C2 . CLA EO 33 . ? -7.081 -57.828 -24.227 1.00 55.51 ? 608 CLA B C2 1 ? ? +54251 HETATM C C3 . CLA EO 33 . ? -6.812 -57.376 -25.453 1.00 55.43 ? 608 CLA B C3 1 ? ? +54252 HETATM C C4 . CLA EO 33 . ? -6.211 -56.035 -25.684 1.00 54.58 ? 608 CLA B C4 1 ? ? +54253 HETATM C C5 . CLA EO 33 . ? -7.160 -58.223 -26.649 1.00 56.27 ? 608 CLA B C5 1 ? ? +54254 HETATM C C6 . CLA EO 33 . ? -8.467 -57.698 -27.267 1.00 56.77 ? 608 CLA B C6 1 ? ? +54255 HETATM C C7 . CLA EO 33 . ? -8.700 -58.345 -28.621 1.00 57.31 ? 608 CLA B C7 1 ? ? +54256 HETATM C C8 . CLA EO 33 . ? -10.140 -58.360 -29.144 1.00 58.32 ? 608 CLA B C8 1 ? ? +54257 HETATM C C9 . CLA EO 33 . ? -11.386 -58.015 -28.314 1.00 58.64 ? 608 CLA B C9 1 ? ? +54258 HETATM C C10 . CLA EO 33 . ? -10.244 -58.617 -30.648 1.00 58.80 ? 608 CLA B C10 1 ? ? +54259 HETATM C C11 . CLA EO 33 . ? -11.462 -57.972 -31.287 1.00 59.33 ? 608 CLA B C11 1 ? ? +54260 HETATM C C12 . CLA EO 33 . ? -11.545 -58.266 -32.775 1.00 59.85 ? 608 CLA B C12 1 ? ? +54261 HETATM C C13 . CLA EO 33 . ? -12.609 -57.385 -33.400 1.00 60.53 ? 608 CLA B C13 1 ? ? +54262 HETATM C C14 . CLA EO 33 . ? -13.997 -57.923 -33.099 1.00 61.32 ? 608 CLA B C14 1 ? ? +54263 HETATM C C15 . CLA EO 33 . ? -12.405 -57.257 -34.903 1.00 61.10 ? 608 CLA B C15 1 ? ? +54264 HETATM C C16 . CLA EO 33 . ? -13.086 -56.000 -35.472 1.00 61.47 ? 608 CLA B C16 1 ? ? +54265 HETATM C C17 . CLA EO 33 . ? -12.112 -55.325 -36.431 1.00 61.40 ? 608 CLA B C17 1 ? ? +54266 HETATM C C18 . CLA EO 33 . ? -12.656 -54.248 -37.363 1.00 61.52 ? 608 CLA B C18 1 ? ? +54267 HETATM C C19 . CLA EO 33 . ? -13.906 -54.503 -38.184 1.00 62.68 ? 608 CLA B C19 1 ? ? +54268 HETATM C C20 . CLA EO 33 . ? -12.058 -52.871 -37.300 1.00 60.97 ? 608 CLA B C20 1 ? ? +54269 HETATM MG MG . CLA EP 33 . ? 42.354 -61.274 -58.275 1.00 55.14 ? 503 CLA C MG 1 ? ? +54270 HETATM C CHA . CLA EP 33 . ? 44.302 -59.957 -60.709 1.00 55.76 ? 503 CLA C CHA 1 ? ? +54271 HETATM C CHB . CLA EP 33 . ? 41.072 -63.483 -60.542 1.00 55.70 ? 503 CLA C CHB 1 ? ? +54272 HETATM C CHC . CLA EP 33 . ? 41.102 -63.206 -55.706 1.00 55.10 ? 503 CLA C CHC 1 ? ? +54273 HETATM C CHD . CLA EP 33 . ? 44.597 -59.841 -55.780 1.00 55.16 ? 503 CLA C CHD 1 ? ? +54274 HETATM N NA . CLA EP 33 . ? 42.653 -61.691 -60.229 1.00 55.60 ? 503 CLA C NA 1 ? ? +54275 HETATM C C1A . CLA EP 33 . ? 43.365 -61.017 -61.062 1.00 55.80 ? 503 CLA C C1A 1 ? ? +54276 HETATM C C2A . CLA EP 33 . ? 43.162 -61.329 -62.513 1.00 56.09 ? 503 CLA C C2A 1 ? ? +54277 HETATM C C3A . CLA EP 33 . ? 42.120 -62.417 -62.453 1.00 56.01 ? 503 CLA C C3A 1 ? ? +54278 HETATM C C4A . CLA EP 33 . ? 41.935 -62.563 -60.969 1.00 55.73 ? 503 CLA C C4A 1 ? ? +54279 HETATM C CMA . CLA EP 33 . ? 40.844 -62.055 -63.234 1.00 55.61 ? 503 CLA C CMA 1 ? ? +54280 HETATM C CAA . CLA EP 33 . ? 44.445 -61.774 -63.220 1.00 56.94 ? 503 CLA C CAA 1 ? ? +54281 HETATM C CBA . CLA EP 33 . ? 45.100 -62.893 -62.435 1.00 57.50 ? 503 CLA C CBA 1 ? ? +54282 HETATM C CGA . CLA EP 33 . ? 46.489 -63.128 -62.919 1.00 58.35 ? 503 CLA C CGA 1 ? ? +54283 HETATM O O1A . CLA EP 33 . ? 46.792 -62.973 -64.086 1.00 58.69 ? 503 CLA C O1A 1 ? ? +54284 HETATM O O2A . CLA EP 33 . ? 47.439 -63.578 -61.940 1.00 58.93 ? 503 CLA C O2A 1 ? ? +54285 HETATM N NB . CLA EP 33 . ? 41.353 -63.065 -58.143 1.00 55.38 ? 503 CLA C NB 1 ? ? +54286 HETATM C C1B . CLA EP 33 . ? 40.780 -63.781 -59.142 1.00 55.57 ? 503 CLA C C1B 1 ? ? +54287 HETATM C C2B . CLA EP 33 . ? 39.926 -64.948 -58.762 1.00 55.76 ? 503 CLA C C2B 1 ? ? +54288 HETATM C C3B . CLA EP 33 . ? 39.999 -64.832 -57.309 1.00 55.66 ? 503 CLA C C3B 1 ? ? +54289 HETATM C C4B . CLA EP 33 . ? 40.813 -63.630 -57.065 1.00 55.36 ? 503 CLA C C4B 1 ? ? +54290 HETATM C CMB . CLA EP 33 . ? 39.214 -65.973 -59.625 1.00 56.02 ? 503 CLA C CMB 1 ? ? +54291 HETATM C CAB . CLA EP 33 . ? 39.304 -65.597 -56.238 1.00 55.79 ? 503 CLA C CAB 1 ? ? +54292 HETATM C CBB . CLA EP 33 . ? 38.192 -66.287 -56.458 1.00 55.81 ? 503 CLA C CBB 1 ? ? +54293 HETATM N NC . CLA EP 33 . ? 42.791 -61.514 -56.250 1.00 55.04 ? 503 CLA C NC 1 ? ? +54294 HETATM C C1C . CLA EP 33 . ? 42.114 -62.247 -55.347 1.00 54.95 ? 503 CLA C C1C 1 ? ? +54295 HETATM C C2C . CLA EP 33 . ? 42.494 -62.158 -53.925 1.00 54.87 ? 503 CLA C C2C 1 ? ? +54296 HETATM C C3C . CLA EP 33 . ? 43.542 -61.156 -53.939 1.00 54.84 ? 503 CLA C C3C 1 ? ? +54297 HETATM C C4C . CLA EP 33 . ? 43.585 -60.798 -55.373 1.00 54.97 ? 503 CLA C C4C 1 ? ? +54298 HETATM C CMC . CLA EP 33 . ? 41.949 -62.906 -52.742 1.00 54.87 ? 503 CLA C CMC 1 ? ? +54299 HETATM C CAC . CLA EP 33 . ? 44.297 -60.595 -52.767 1.00 54.75 ? 503 CLA C CAC 1 ? ? +54300 HETATM C CBC . CLA EP 33 . ? 43.469 -59.414 -52.269 1.00 54.03 ? 503 CLA C CBC 1 ? ? +54301 HETATM N ND . CLA EP 33 . ? 44.207 -60.458 -58.225 1.00 55.59 ? 503 CLA C ND 1 ? ? +54302 HETATM C C1D . CLA EP 33 . ? 44.766 -59.576 -57.185 1.00 55.40 ? 503 CLA C C1D 1 ? ? +54303 HETATM C C2D . CLA EP 33 . ? 45.665 -58.532 -57.740 1.00 55.64 ? 503 CLA C C2D 1 ? ? +54304 HETATM C C3D . CLA EP 33 . ? 45.400 -58.698 -59.185 1.00 55.75 ? 503 CLA C C3D 1 ? ? +54305 HETATM C C4D . CLA EP 33 . ? 44.499 -59.685 -59.331 1.00 55.60 ? 503 CLA C C4D 1 ? ? +54306 HETATM C CMD . CLA EP 33 . ? 46.586 -57.503 -57.146 1.00 55.68 ? 503 CLA C CMD 1 ? ? +54307 HETATM C CAD . CLA EP 33 . ? 45.777 -58.168 -60.524 1.00 55.95 ? 503 CLA C CAD 1 ? ? +54308 HETATM O OBD . CLA EP 33 . ? 46.573 -57.175 -60.777 1.00 56.13 ? 503 CLA C OBD 1 ? ? +54309 HETATM C CBD . CLA EP 33 . ? 44.992 -58.944 -61.539 1.00 55.93 ? 503 CLA C CBD 1 ? ? +54310 HETATM C CGD . CLA EP 33 . ? 43.946 -58.026 -62.111 1.00 55.32 ? 503 CLA C CGD 1 ? ? +54311 HETATM O O1D . CLA EP 33 . ? 43.375 -58.154 -63.188 1.00 55.25 ? 503 CLA C O1D 1 ? ? +54312 HETATM O O2D . CLA EP 33 . ? 43.578 -56.887 -61.328 1.00 54.75 ? 503 CLA C O2D 1 ? ? +54313 HETATM C CED . CLA EP 33 . ? 42.579 -56.019 -61.864 1.00 54.36 ? 503 CLA C CED 1 ? ? +54314 HETATM C C1 . CLA EP 33 . ? 48.843 -63.543 -62.195 1.00 59.87 ? 503 CLA C C1 1 ? ? +54315 HETATM C C2 . CLA EP 33 . ? 49.331 -64.966 -62.293 1.00 60.66 ? 503 CLA C C2 1 ? ? +54316 HETATM C C3 . CLA EP 33 . ? 50.335 -65.432 -61.548 1.00 61.38 ? 503 CLA C C3 1 ? ? +54317 HETATM C C4 . CLA EP 33 . ? 51.059 -64.546 -60.577 1.00 61.31 ? 503 CLA C C4 1 ? ? +54318 HETATM C C5 . CLA EP 33 . ? 50.749 -66.877 -61.719 1.00 62.17 ? 503 CLA C C5 1 ? ? +54319 HETATM C C6 . CLA EP 33 . ? 52.038 -66.959 -62.527 1.00 63.02 ? 503 CLA C C6 1 ? ? +54320 HETATM C C7 . CLA EP 33 . ? 51.919 -66.183 -63.829 1.00 62.98 ? 503 CLA C C7 1 ? ? +54321 HETATM C C8 . CLA EP 33 . ? 53.189 -65.837 -64.585 1.00 63.65 ? 503 CLA C C8 1 ? ? +54322 HETATM C C9 . CLA EP 33 . ? 54.555 -65.663 -63.941 1.00 64.25 ? 503 CLA C C9 1 ? ? +54323 HETATM C C10 . CLA EP 33 . ? 52.976 -65.659 -66.080 1.00 63.85 ? 503 CLA C C10 1 ? ? +54324 HETATM C C11 . CLA EP 33 . ? 54.183 -65.616 -67.011 1.00 64.71 ? 503 CLA C C11 1 ? ? +54325 HETATM C C12 . CLA EP 33 . ? 53.630 -65.226 -68.383 1.00 64.65 ? 503 CLA C C12 1 ? ? +54326 HETATM C C13 . CLA EP 33 . ? 54.689 -64.925 -69.420 1.00 65.39 ? 503 CLA C C13 1 ? ? +54327 HETATM C C14 . CLA EP 33 . ? 54.051 -64.237 -70.604 1.00 65.13 ? 503 CLA C C14 1 ? ? +54328 HETATM C C15 . CLA EP 33 . ? 55.357 -66.252 -69.749 1.00 66.46 ? 503 CLA C C15 1 ? ? +54329 HETATM C C16 . CLA EP 33 . ? 55.600 -66.603 -71.220 1.00 67.18 ? 503 CLA C C16 1 ? ? +54330 HETATM C C17 . CLA EP 33 . ? 57.072 -66.331 -71.490 1.00 68.04 ? 503 CLA C C17 1 ? ? +54331 HETATM C C18 . CLA EP 33 . ? 57.799 -67.071 -72.573 1.00 68.96 ? 503 CLA C C18 1 ? ? +54332 HETATM C C19 . CLA EP 33 . ? 59.056 -67.727 -72.112 1.00 69.83 ? 503 CLA C C19 1 ? ? +54333 HETATM C C20 . CLA EP 33 . ? 57.351 -66.786 -73.991 1.00 69.04 ? 503 CLA C C20 1 ? ? +54334 HETATM C C2 A PL9 EQ 28 . ? 30.839 -51.635 -23.632 0.40 47.61 ? 405 PL9 D C2 1 ? ? +54335 HETATM C C2 B PL9 EQ 28 . ? 30.809 -51.635 -23.499 0.60 47.53 ? 405 PL9 D C2 1 ? ? +54336 HETATM C C3 A PL9 EQ 28 . ? 31.378 -50.478 -23.125 0.40 47.52 ? 405 PL9 D C3 1 ? ? +54337 HETATM C C3 B PL9 EQ 28 . ? 31.365 -50.514 -22.929 0.60 47.47 ? 405 PL9 D C3 1 ? ? +54338 HETATM C C4 A PL9 EQ 28 . ? 31.651 -50.393 -21.743 0.40 47.75 ? 405 PL9 D C4 1 ? ? +54339 HETATM C C4 B PL9 EQ 28 . ? 31.664 -50.529 -21.540 0.60 47.73 ? 405 PL9 D C4 1 ? ? +54340 HETATM C C5 A PL9 EQ 28 . ? 31.532 -51.586 -20.873 0.40 48.20 ? 405 PL9 D C5 1 ? ? +54341 HETATM C C5 B PL9 EQ 28 . ? 31.616 -51.797 -20.771 0.60 48.22 ? 405 PL9 D C5 1 ? ? +54342 HETATM C C6 A PL9 EQ 28 . ? 30.984 -52.744 -21.372 0.40 48.33 ? 405 PL9 D C6 1 ? ? +54343 HETATM C C6 B PL9 EQ 28 . ? 30.985 -52.896 -21.315 0.60 48.31 ? 405 PL9 D C6 1 ? ? +54344 HETATM C C1 A PL9 EQ 28 . ? 30.588 -52.800 -22.788 0.40 48.04 ? 405 PL9 D C1 1 ? ? +54345 HETATM C C1 B PL9 EQ 28 . ? 30.557 -52.849 -22.724 0.60 47.97 ? 405 PL9 D C1 1 ? ? +54346 HETATM C C7 A PL9 EQ 28 . ? 31.647 -49.284 -24.013 0.40 47.20 ? 405 PL9 D C7 1 ? ? +54347 HETATM C C7 B PL9 EQ 28 . ? 31.627 -49.272 -23.755 0.60 47.16 ? 405 PL9 D C7 1 ? ? +54348 HETATM C C8 A PL9 EQ 28 . ? 30.400 -48.559 -24.442 0.40 46.76 ? 405 PL9 D C8 1 ? ? +54349 HETATM C C8 B PL9 EQ 28 . ? 30.376 -48.556 -24.196 0.60 46.73 ? 405 PL9 D C8 1 ? ? +54350 HETATM C C9 A PL9 EQ 28 . ? 30.101 -47.281 -24.266 0.40 46.51 ? 405 PL9 D C9 1 ? ? +54351 HETATM C C9 B PL9 EQ 28 . ? 30.098 -47.259 -24.131 0.60 46.50 ? 405 PL9 D C9 1 ? ? +54352 HETATM C C10 A PL9 EQ 28 . ? 31.005 -46.312 -23.566 0.40 46.52 ? 405 PL9 D C10 1 ? ? +54353 HETATM C C10 B PL9 EQ 28 . ? 30.997 -46.245 -23.488 0.60 46.47 ? 405 PL9 D C10 1 ? ? +54354 HETATM C C11 A PL9 EQ 28 . ? 28.800 -46.709 -24.760 0.40 46.16 ? 405 PL9 D C11 1 ? ? +54355 HETATM C C11 B PL9 EQ 28 . ? 28.821 -46.708 -24.714 0.60 46.18 ? 405 PL9 D C11 1 ? ? +54356 HETATM C C12 A PL9 EQ 28 . ? 28.956 -45.617 -25.798 0.40 45.90 ? 405 PL9 D C12 1 ? ? +54357 HETATM C C12 B PL9 EQ 28 . ? 28.995 -45.760 -25.888 0.60 45.97 ? 405 PL9 D C12 1 ? ? +54358 HETATM C C13 A PL9 EQ 28 . ? 27.676 -45.249 -26.489 0.40 45.63 ? 405 PL9 D C13 1 ? ? +54359 HETATM C C13 B PL9 EQ 28 . ? 27.704 -45.347 -26.541 0.60 45.74 ? 405 PL9 D C13 1 ? ? +54360 HETATM C C14 A PL9 EQ 28 . ? 27.533 -44.478 -27.563 0.40 45.49 ? 405 PL9 D C14 1 ? ? +54361 HETATM C C14 B PL9 EQ 28 . ? 27.549 -44.525 -27.577 0.60 45.63 ? 405 PL9 D C14 1 ? ? +54362 HETATM C C15 A PL9 EQ 28 . ? 28.688 -43.807 -28.248 0.40 45.47 ? 405 PL9 D C15 1 ? ? +54363 HETATM C C15 B PL9 EQ 28 . ? 28.702 -43.818 -28.234 0.60 45.62 ? 405 PL9 D C15 1 ? ? +54364 HETATM C C16 A PL9 EQ 28 . ? 26.191 -44.229 -28.194 0.40 45.29 ? 405 PL9 D C16 1 ? ? +54365 HETATM C C16 B PL9 EQ 28 . ? 26.206 -44.256 -28.207 0.60 45.47 ? 405 PL9 D C16 1 ? ? +54366 HETATM C C17 A PL9 EQ 28 . ? 24.986 -44.605 -27.349 0.40 45.44 ? 405 PL9 D C17 1 ? ? +54367 HETATM C C17 B PL9 EQ 28 . ? 24.963 -44.637 -27.407 0.60 45.64 ? 405 PL9 D C17 1 ? ? +54368 HETATM C C18 A PL9 EQ 28 . ? 23.705 -44.168 -27.993 0.40 45.24 ? 405 PL9 D C18 1 ? ? +54369 HETATM C C18 B PL9 EQ 28 . ? 23.700 -44.142 -28.053 0.60 45.46 ? 405 PL9 D C18 1 ? ? +54370 HETATM C C19 A PL9 EQ 28 . ? 23.091 -42.996 -27.868 0.40 45.17 ? 405 PL9 D C19 1 ? ? +54371 HETATM C C19 B PL9 EQ 28 . ? 23.123 -42.950 -27.923 0.60 45.45 ? 405 PL9 D C19 1 ? ? +54372 HETATM C C20 A PL9 EQ 28 . ? 23.522 -41.924 -26.916 0.40 45.00 ? 405 PL9 D C20 1 ? ? +54373 HETATM C C20 B PL9 EQ 28 . ? 23.588 -41.892 -26.966 0.60 45.24 ? 405 PL9 D C20 1 ? ? +54374 HETATM C C21 A PL9 EQ 28 . ? 21.907 -42.645 -28.721 0.40 45.17 ? 405 PL9 D C21 1 ? ? +54375 HETATM C C21 B PL9 EQ 28 . ? 21.942 -42.560 -28.767 0.60 45.55 ? 405 PL9 D C21 1 ? ? +54376 HETATM C C22 A PL9 EQ 28 . ? 20.714 -42.214 -27.902 0.40 45.28 ? 405 PL9 D C22 1 ? ? +54377 HETATM C C22 B PL9 EQ 28 . ? 20.736 -42.183 -27.935 0.60 45.75 ? 405 PL9 D C22 1 ? ? +54378 HETATM C C23 A PL9 EQ 28 . ? 19.475 -42.066 -28.727 0.40 45.37 ? 405 PL9 D C23 1 ? ? +54379 HETATM C C23 B PL9 EQ 28 . ? 19.463 -42.111 -28.719 0.60 45.99 ? 405 PL9 D C23 1 ? ? +54380 HETATM C C24 A PL9 EQ 28 . ? 18.226 -41.958 -28.296 0.40 45.70 ? 405 PL9 D C24 1 ? ? +54381 HETATM C C24 B PL9 EQ 28 . ? 18.228 -42.012 -28.242 0.60 46.53 ? 405 PL9 D C24 1 ? ? +54382 HETATM C C25 A PL9 EQ 28 . ? 17.863 -41.960 -26.844 0.40 45.74 ? 405 PL9 D C25 1 ? ? +54383 HETATM C C25 B PL9 EQ 28 . ? 17.927 -41.982 -26.775 0.60 46.49 ? 405 PL9 D C25 1 ? ? +54384 HETATM C C26 A PL9 EQ 28 . ? 17.078 -41.841 -29.259 0.40 45.98 ? 405 PL9 D C26 1 ? ? +54385 HETATM C C26 B PL9 EQ 28 . ? 17.040 -41.923 -29.162 0.60 47.06 ? 405 PL9 D C26 1 ? ? +54386 HETATM C C27 A PL9 EQ 28 . ? 16.392 -40.485 -29.247 0.40 46.05 ? 405 PL9 D C27 1 ? ? +54387 HETATM C C27 B PL9 EQ 28 . ? 16.410 -40.539 -29.244 0.60 47.37 ? 405 PL9 D C27 1 ? ? +54388 HETATM C C28 A PL9 EQ 28 . ? 17.271 -39.363 -29.717 0.40 46.21 ? 405 PL9 D C28 1 ? ? +54389 HETATM C C28 B PL9 EQ 28 . ? 17.401 -39.462 -29.592 0.60 47.81 ? 405 PL9 D C28 1 ? ? +54390 HETATM C C29 A PL9 EQ 28 . ? 17.665 -38.293 -29.033 0.40 46.60 ? 405 PL9 D C29 1 ? ? +54391 HETATM C C29 B PL9 EQ 28 . ? 17.601 -38.293 -28.985 0.60 48.52 ? 405 PL9 D C29 1 ? ? +54392 HETATM C C30 A PL9 EQ 28 . ? 17.342 -38.063 -27.588 0.40 46.69 ? 405 PL9 D C30 1 ? ? +54393 HETATM C C30 B PL9 EQ 28 . ? 16.831 -37.836 -27.780 0.60 48.64 ? 405 PL9 D C30 1 ? ? +54394 HETATM C C31 A PL9 EQ 28 . ? 18.465 -37.200 -29.681 0.40 46.86 ? 405 PL9 D C31 1 ? ? +54395 HETATM C C31 B PL9 EQ 28 . ? 18.643 -37.319 -29.460 0.60 49.10 ? 405 PL9 D C31 1 ? ? +54396 HETATM C C32 A PL9 EQ 28 . ? 19.364 -37.681 -30.798 0.40 47.29 ? 405 PL9 D C32 1 ? ? +54397 HETATM C C32 B PL9 EQ 28 . ? 19.259 -37.632 -30.807 0.60 49.64 ? 405 PL9 D C32 1 ? ? +54398 HETATM C C33 A PL9 EQ 28 . ? 20.137 -36.554 -31.408 0.40 47.49 ? 405 PL9 D C33 1 ? ? +54399 HETATM C C33 B PL9 EQ 28 . ? 20.015 -36.466 -31.364 0.60 50.03 ? 405 PL9 D C33 1 ? ? +54400 HETATM C C34 A PL9 EQ 28 . ? 20.113 -36.140 -32.671 0.40 47.89 ? 405 PL9 D C34 1 ? ? +54401 HETATM C C34 B PL9 EQ 28 . ? 20.068 -36.049 -32.625 0.60 50.74 ? 405 PL9 D C34 1 ? ? +54402 HETATM C C35 A PL9 EQ 28 . ? 19.412 -36.874 -33.775 0.40 47.99 ? 405 PL9 D C35 1 ? ? +54403 HETATM C C35 B PL9 EQ 28 . ? 19.457 -36.783 -33.787 0.60 50.91 ? 405 PL9 D C35 1 ? ? +54404 HETATM C C36 A PL9 EQ 28 . ? 20.716 -34.824 -33.069 0.40 48.19 ? 405 PL9 D C36 1 ? ? +54405 HETATM C C36 B PL9 EQ 28 . ? 20.695 -34.730 -32.971 0.60 51.31 ? 405 PL9 D C36 1 ? ? +54406 HETATM C C37 A PL9 EQ 28 . ? 22.225 -34.780 -33.010 0.40 48.48 ? 405 PL9 D C37 1 ? ? +54407 HETATM C C37 B PL9 EQ 28 . ? 22.206 -34.737 -32.978 0.60 51.60 ? 405 PL9 D C37 1 ? ? +54408 HETATM C C38 A PL9 EQ 28 . ? 22.746 -33.433 -33.398 0.40 48.63 ? 405 PL9 D C38 1 ? ? +54409 HETATM C C38 B PL9 EQ 28 . ? 22.733 -33.379 -33.317 0.60 51.89 ? 405 PL9 D C38 1 ? ? +54410 HETATM C C39 A PL9 EQ 28 . ? 23.977 -32.964 -33.234 0.40 49.15 ? 405 PL9 D C39 1 ? ? +54411 HETATM C C39 B PL9 EQ 28 . ? 23.993 -32.962 -33.279 0.60 52.71 ? 405 PL9 D C39 1 ? ? +54412 HETATM C C40 A PL9 EQ 28 . ? 25.056 -33.711 -32.505 0.40 49.60 ? 405 PL9 D C40 1 ? ? +54413 HETATM C C40 B PL9 EQ 28 . ? 25.142 -33.822 -32.829 0.60 53.33 ? 405 PL9 D C40 1 ? ? +54414 HETATM C C41 A PL9 EQ 28 . ? 24.412 -31.665 -33.847 0.40 49.21 ? 405 PL9 D C41 1 ? ? +54415 HETATM C C41 B PL9 EQ 28 . ? 24.367 -31.574 -33.713 0.60 52.81 ? 405 PL9 D C41 1 ? ? +54416 HETATM C C42 A PL9 EQ 28 . ? 25.537 -31.915 -34.817 0.40 49.63 ? 405 PL9 D C42 1 ? ? +54417 HETATM C C42 B PL9 EQ 28 . ? 25.219 -31.568 -34.956 0.60 53.32 ? 405 PL9 D C42 1 ? ? +54418 HETATM C C43 A PL9 EQ 28 . ? 26.620 -30.885 -34.797 0.40 49.82 ? 405 PL9 D C43 1 ? ? +54419 HETATM C C43 B PL9 EQ 28 . ? 26.506 -30.820 -34.801 0.60 53.56 ? 405 PL9 D C43 1 ? ? +54420 HETATM C C44 A PL9 EQ 28 . ? 27.137 -30.247 -35.841 0.40 50.01 ? 405 PL9 D C44 1 ? ? +54421 HETATM C C44 B PL9 EQ 28 . ? 27.236 -30.266 -35.761 0.60 53.76 ? 405 PL9 D C44 1 ? ? +54422 HETATM C C45 A PL9 EQ 28 . ? 26.603 -30.382 -37.234 0.40 49.87 ? 405 PL9 D C45 1 ? ? +54423 HETATM C C45 B PL9 EQ 28 . ? 26.876 -30.333 -37.216 0.60 53.73 ? 405 PL9 D C45 1 ? ? +54424 HETATM C C46 A PL9 EQ 28 . ? 28.340 -29.361 -35.695 0.40 50.37 ? 405 PL9 D C46 1 ? ? +54425 HETATM C C46 B PL9 EQ 28 . ? 28.484 -29.496 -35.437 0.60 54.14 ? 405 PL9 D C46 1 ? ? +54426 HETATM C C47 A PL9 EQ 28 . ? 28.148 -28.262 -34.680 0.40 50.38 ? 405 PL9 D C47 1 ? ? +54427 HETATM C C47 B PL9 EQ 28 . ? 28.196 -28.203 -34.711 0.60 54.05 ? 405 PL9 D C47 1 ? ? +54428 HETATM C C48 A PL9 EQ 28 . ? 29.329 -27.350 -34.619 0.40 50.74 ? 405 PL9 D C48 1 ? ? +54429 HETATM C C48 B PL9 EQ 28 . ? 29.391 -27.307 -34.679 0.60 54.41 ? 405 PL9 D C48 1 ? ? +54430 HETATM C C49 A PL9 EQ 28 . ? 29.341 -26.053 -34.361 0.40 50.81 ? 405 PL9 D C49 1 ? ? +54431 HETATM C C49 B PL9 EQ 28 . ? 29.465 -26.051 -34.268 0.60 54.40 ? 405 PL9 D C49 1 ? ? +54432 HETATM C C50 A PL9 EQ 28 . ? 30.597 -25.237 -34.412 0.40 50.95 ? 405 PL9 D C50 1 ? ? +54433 HETATM C C50 B PL9 EQ 28 . ? 30.729 -25.253 -34.378 0.60 54.10 ? 405 PL9 D C50 1 ? ? +54434 HETATM C C51 A PL9 EQ 28 . ? 28.096 -25.297 -33.991 0.40 50.42 ? 405 PL9 D C51 1 ? ? +54435 HETATM C C51 B PL9 EQ 28 . ? 28.300 -25.325 -33.650 0.60 53.81 ? 405 PL9 D C51 1 ? ? +54436 HETATM C C52 A PL9 EQ 28 . ? 32.001 -51.453 -19.460 0.40 48.54 ? 405 PL9 D C52 1 ? ? +54437 HETATM C C52 B PL9 EQ 28 . ? 32.230 -51.801 -19.407 0.60 48.66 ? 405 PL9 D C52 1 ? ? +54438 HETATM C C53 A PL9 EQ 28 . ? 30.769 -53.959 -20.530 0.40 48.81 ? 405 PL9 D C53 1 ? ? +54439 HETATM C C53 B PL9 EQ 28 . ? 30.737 -54.155 -20.548 0.60 48.78 ? 405 PL9 D C53 1 ? ? +54440 HETATM O O1 A PL9 EQ 28 . ? 32.021 -49.333 -21.257 0.40 47.63 ? 405 PL9 D O1 1 ? ? +54441 HETATM O O1 B PL9 EQ 28 . ? 32.022 -49.505 -20.975 0.60 47.64 ? 405 PL9 D O1 1 ? ? +54442 HETATM O O2 A PL9 EQ 28 . ? 30.066 -53.821 -23.257 0.40 48.19 ? 405 PL9 D O2 1 ? ? +54443 HETATM O O2 B PL9 EQ 28 . ? 30.007 -53.828 -23.245 0.60 48.10 ? 405 PL9 D O2 1 ? ? +54444 HETATM C C1B . LMT ER 37 . ? 17.940 -6.869 -36.120 1.00 154.03 ? 101 LMT T C1B 1 ? ? +54445 HETATM C C2B . LMT ER 37 . ? 16.548 -6.247 -36.036 1.00 151.43 ? 101 LMT T C2B 1 ? ? +54446 HETATM C C3B . LMT ER 37 . ? 15.491 -7.245 -36.475 1.00 148.90 ? 101 LMT T C3B 1 ? ? +54447 HETATM C C4B . LMT ER 37 . ? 15.813 -7.758 -37.866 1.00 151.50 ? 101 LMT T C4B 1 ? ? +54448 HETATM C C5B . LMT ER 37 . ? 17.193 -8.411 -37.848 1.00 155.40 ? 101 LMT T C5B 1 ? ? +54449 HETATM C C6B . LMT ER 37 . ? 17.634 -8.928 -39.202 1.00 154.96 ? 101 LMT T C6B 1 ? ? +54450 HETATM O O1B . LMT ER 37 . ? 18.070 -7.862 -35.124 1.00 153.09 ? 101 LMT T O1B 1 ? ? +54451 HETATM O O2B . LMT ER 37 . ? 16.288 -5.787 -34.711 1.00 151.67 ? 101 LMT T O2B 1 ? ? +54452 HETATM O O3B . LMT ER 37 . ? 14.205 -6.631 -36.454 1.00 142.31 ? 101 LMT T O3B 1 ? ? +54453 HETATM O O4' . LMT ER 37 . ? 14.831 -8.702 -38.289 1.00 148.34 ? 101 LMT T O4' 1 ? ? +54454 HETATM O O5B . LMT ER 37 . ? 18.176 -7.431 -37.420 1.00 156.48 ? 101 LMT T O5B 1 ? ? +54455 HETATM O O6B . LMT ER 37 . ? 16.526 -9.102 -40.094 1.00 152.79 ? 101 LMT T O6B 1 ? ? +54456 HETATM C C1' . LMT ER 37 . ? 20.568 -8.374 -31.790 1.00 127.58 ? 101 LMT T C1' 1 ? ? +54457 HETATM C C2' . LMT ER 37 . ? 19.884 -7.019 -31.961 1.00 136.50 ? 101 LMT T C2' 1 ? ? +54458 HETATM C C3' . LMT ER 37 . ? 18.729 -7.092 -32.953 1.00 139.34 ? 101 LMT T C3' 1 ? ? +54459 HETATM C C4' . LMT ER 37 . ? 19.192 -7.776 -34.231 1.00 144.06 ? 101 LMT T C4' 1 ? ? +54460 HETATM C C5' . LMT ER 37 . ? 19.735 -9.158 -33.878 1.00 138.36 ? 101 LMT T C5' 1 ? ? +54461 HETATM C C6' . LMT ER 37 . ? 20.162 -10.001 -35.064 1.00 132.17 ? 101 LMT T C6' 1 ? ? +54462 HETATM O O1' . LMT ER 37 . ? 21.758 -8.191 -31.078 1.00 108.96 ? 101 LMT T O1' 1 ? ? +54463 HETATM O O2' . LMT ER 37 . ? 19.392 -6.562 -30.705 1.00 143.38 ? 101 LMT T O2' 1 ? ? +54464 HETATM O O3' . LMT ER 37 . ? 18.242 -5.777 -33.215 1.00 139.89 ? 101 LMT T O3' 1 ? ? +54465 HETATM O O5' . LMT ER 37 . ? 20.893 -8.966 -33.038 1.00 133.09 ? 101 LMT T O5' 1 ? ? +54466 HETATM O O6' . LMT ER 37 . ? 21.567 -10.253 -35.059 1.00 129.61 ? 101 LMT T O6' 1 ? ? +54467 HETATM C C1 . LMT ER 37 . ? 22.245 -9.393 -30.463 1.00 98.83 ? 101 LMT T C1 1 ? ? +54468 HETATM C C2 . LMT ER 37 . ? 22.058 -9.268 -28.995 1.00 93.22 ? 101 LMT T C2 1 ? ? +54469 HETATM C C3 . LMT ER 37 . ? 22.828 -10.304 -28.230 1.00 88.65 ? 101 LMT T C3 1 ? ? +54470 HETATM C C4 . LMT ER 37 . ? 22.022 -11.525 -27.917 1.00 84.15 ? 101 LMT T C4 1 ? ? +54471 HETATM C C5 . LMT ER 37 . ? 22.690 -12.453 -26.956 1.00 82.47 ? 101 LMT T C5 1 ? ? +54472 HETATM C C6 . LMT ER 37 . ? 22.361 -13.892 -27.177 1.00 83.30 ? 101 LMT T C6 1 ? ? +54473 HETATM C C7 . LMT ER 37 . ? 22.554 -14.752 -25.962 1.00 86.89 ? 101 LMT T C7 1 ? ? +54474 HETATM C C8 . LMT ER 37 . ? 22.228 -16.207 -26.187 1.00 89.53 ? 101 LMT T C8 1 ? ? +54475 HETATM C C9 . LMT ER 37 . ? 22.731 -17.143 -25.106 1.00 90.72 ? 101 LMT T C9 1 ? ? +54476 HETATM C C10 . LMT ER 37 . ? 21.690 -17.532 -24.082 1.00 89.25 ? 101 LMT T C10 1 ? ? +54477 HETATM C C11 . LMT ER 37 . ? 20.544 -18.352 -24.614 1.00 87.49 ? 101 LMT T C11 1 ? ? +54478 HETATM C C12 . LMT ER 37 . ? 20.925 -19.768 -24.971 1.00 86.66 ? 101 LMT T C12 1 ? ? +54479 HETATM MG MG . CLA ES 33 . ? 53.680 9.799 -14.880 1.00 59.82 ? 602 CLA b MG 1 ? ? +54480 HETATM C CHA . CLA ES 33 . ? 50.288 10.611 -14.454 1.00 58.13 ? 602 CLA b CHA 1 ? ? +54481 HETATM C CHB . CLA ES 33 . ? 53.813 12.131 -17.327 1.00 60.44 ? 602 CLA b CHB 1 ? ? +54482 HETATM C CHC . CLA ES 33 . ? 57.184 10.098 -14.438 1.00 62.27 ? 602 CLA b CHC 1 ? ? +54483 HETATM C CHD . CLA ES 33 . ? 53.615 8.418 -11.479 1.00 59.78 ? 602 CLA b CHD 1 ? ? +54484 HETATM N NA . CLA ES 33 . ? 52.365 11.087 -15.724 1.00 59.44 ? 602 CLA b NA 1 ? ? +54485 HETATM C C1A . CLA ES 33 . ? 51.060 11.207 -15.547 1.00 58.74 ? 602 CLA b C1A 1 ? ? +54486 HETATM C C2A . CLA ES 33 . ? 50.335 11.935 -16.631 1.00 58.51 ? 602 CLA b C2A 1 ? ? +54487 HETATM C C3A . CLA ES 33 . ? 51.408 12.119 -17.662 1.00 58.98 ? 602 CLA b C3A 1 ? ? +54488 HETATM C C4A . CLA ES 33 . ? 52.629 11.790 -16.843 1.00 59.70 ? 602 CLA b C4A 1 ? ? +54489 HETATM C CMA . CLA ES 33 . ? 51.293 11.190 -18.858 1.00 58.42 ? 602 CLA b CMA 1 ? ? +54490 HETATM C CAA . CLA ES 33 . ? 49.856 13.283 -16.136 1.00 58.99 ? 602 CLA b CAA 1 ? ? +54491 HETATM C CBA . CLA ES 33 . ? 48.886 13.904 -17.128 1.00 58.86 ? 602 CLA b CBA 1 ? ? +54492 HETATM C CGA . CLA ES 33 . ? 47.479 13.422 -16.832 1.00 58.32 ? 602 CLA b CGA 1 ? ? +54493 HETATM O O1A . CLA ES 33 . ? 46.730 13.109 -17.736 1.00 57.66 ? 602 CLA b O1A 1 ? ? +54494 HETATM O O2A . CLA ES 33 . ? 47.063 13.339 -15.450 1.00 59.02 ? 602 CLA b O2A 1 ? ? +54495 HETATM N NB . CLA ES 33 . ? 55.211 10.926 -15.679 1.00 61.07 ? 602 CLA b NB 1 ? ? +54496 HETATM C C1B . CLA ES 33 . ? 55.096 11.754 -16.745 1.00 61.15 ? 602 CLA b C1B 1 ? ? +54497 HETATM C C2B . CLA ES 33 . ? 56.312 12.403 -17.257 1.00 62.05 ? 602 CLA b C2B 1 ? ? +54498 HETATM C C3B . CLA ES 33 . ? 57.313 11.806 -16.403 1.00 62.71 ? 602 CLA b C3B 1 ? ? +54499 HETATM C C4B . CLA ES 33 . ? 56.573 10.899 -15.495 1.00 62.00 ? 602 CLA b C4B 1 ? ? +54500 HETATM C CMB . CLA ES 33 . ? 56.476 13.395 -18.373 1.00 62.33 ? 602 CLA b CMB 1 ? ? +54501 HETATM C CAB . CLA ES 33 . ? 58.722 12.215 -16.544 1.00 64.03 ? 602 CLA b CAB 1 ? ? +54502 HETATM C CBB . CLA ES 33 . ? 59.673 11.868 -15.721 1.00 64.91 ? 602 CLA b CBB 1 ? ? +54503 HETATM N NC . CLA ES 33 . ? 55.039 9.412 -13.339 1.00 60.73 ? 602 CLA b NC 1 ? ? +54504 HETATM C C1C . CLA ES 33 . ? 56.397 9.471 -13.375 1.00 61.69 ? 602 CLA b C1C 1 ? ? +54505 HETATM C C2C . CLA ES 33 . ? 57.125 9.024 -12.162 1.00 62.23 ? 602 CLA b C2C 1 ? ? +54506 HETATM C C3C . CLA ES 33 . ? 56.074 8.534 -11.309 1.00 61.49 ? 602 CLA b C3C 1 ? ? +54507 HETATM C C4C . CLA ES 33 . ? 54.880 8.759 -12.131 1.00 60.63 ? 602 CLA b C4C 1 ? ? +54508 HETATM C CMC . CLA ES 33 . ? 58.579 8.996 -11.842 1.00 63.29 ? 602 CLA b CMC 1 ? ? +54509 HETATM C CAC . CLA ES 33 . ? 56.206 7.898 -9.950 1.00 61.67 ? 602 CLA b CAC 1 ? ? +54510 HETATM C CBC . CLA ES 33 . ? 56.116 6.388 -10.157 1.00 61.15 ? 602 CLA b CBC 1 ? ? +54511 HETATM N ND . CLA ES 33 . ? 52.435 9.820 -13.234 1.00 59.25 ? 602 CLA b ND 1 ? ? +54512 HETATM C C1D . CLA ES 33 . ? 52.401 8.896 -12.085 1.00 59.10 ? 602 CLA b C1D 1 ? ? +54513 HETATM C C2D . CLA ES 33 . ? 51.026 8.728 -11.527 1.00 58.32 ? 602 CLA b C2D 1 ? ? +54514 HETATM C C3D . CLA ES 33 . ? 50.234 9.429 -12.531 1.00 57.94 ? 602 CLA b C3D 1 ? ? +54515 HETATM C C4D . CLA ES 33 . ? 51.055 9.883 -13.479 1.00 58.43 ? 602 CLA b C4D 1 ? ? +54516 HETATM C CMD . CLA ES 33 . ? 50.416 8.047 -10.344 1.00 57.97 ? 602 CLA b CMD 1 ? ? +54517 HETATM C CAD . CLA ES 33 . ? 48.828 9.777 -12.868 1.00 57.29 ? 602 CLA b CAD 1 ? ? +54518 HETATM O OBD . CLA ES 33 . ? 47.780 9.434 -12.212 1.00 56.76 ? 602 CLA b OBD 1 ? ? +54519 HETATM C CBD . CLA ES 33 . ? 48.824 10.543 -14.150 1.00 57.37 ? 602 CLA b CBD 1 ? ? +54520 HETATM C CGD . CLA ES 33 . ? 48.014 9.770 -15.155 1.00 56.66 ? 602 CLA b CGD 1 ? ? +54521 HETATM O O1D . CLA ES 33 . ? 48.151 8.578 -15.342 1.00 56.38 ? 602 CLA b O1D 1 ? ? +54522 HETATM O O2D . CLA ES 33 . ? 46.987 10.379 -15.958 1.00 56.30 ? 602 CLA b O2D 1 ? ? +54523 HETATM C CED . CLA ES 33 . ? 46.282 9.504 -16.830 1.00 55.55 ? 602 CLA b CED 1 ? ? +54524 HETATM C C1 . CLA ES 33 . ? 45.710 13.091 -15.068 1.00 59.25 ? 602 CLA b C1 1 ? ? +54525 HETATM C C2 . CLA ES 33 . ? 45.744 12.638 -13.626 1.00 59.99 ? 602 CLA b C2 1 ? ? +54526 HETATM C C3 . CLA ES 33 . ? 45.767 13.523 -12.611 1.00 61.32 ? 602 CLA b C3 1 ? ? +54527 HETATM C C4 . CLA ES 33 . ? 45.715 15.008 -12.814 1.00 61.51 ? 602 CLA b C4 1 ? ? +54528 HETATM C C5 . CLA ES 33 . ? 45.826 13.007 -11.201 1.00 62.39 ? 602 CLA b C5 1 ? ? +54529 HETATM C C6 . CLA ES 33 . ? 44.496 13.245 -10.511 1.00 62.65 ? 602 CLA b C6 1 ? ? +54530 HETATM C C7 . CLA ES 33 . ? 44.627 12.732 -9.090 1.00 63.65 ? 602 CLA b C7 1 ? ? +54531 HETATM C C8 . CLA ES 33 . ? 43.455 13.094 -8.211 1.00 64.18 ? 602 CLA b C8 1 ? ? +54532 HETATM C C9 . CLA ES 33 . ? 42.279 13.860 -8.785 1.00 63.78 ? 602 CLA b C9 1 ? ? +54533 HETATM C C10 . CLA ES 33 . ? 43.431 12.710 -6.747 1.00 65.15 ? 602 CLA b C10 1 ? ? +54534 HETATM C C11 . CLA ES 33 . ? 42.024 12.318 -6.260 1.00 64.84 ? 602 CLA b C11 1 ? ? +54535 HETATM C C12 . CLA ES 33 . ? 41.494 10.979 -6.763 1.00 64.24 ? 602 CLA b C12 1 ? ? +54536 HETATM C C13 . CLA ES 33 . ? 40.677 10.377 -5.620 1.00 64.21 ? 602 CLA b C13 1 ? ? +54537 HETATM C C14 . CLA ES 33 . ? 40.338 8.918 -5.842 1.00 63.98 ? 602 CLA b C14 1 ? ? +54538 HETATM C C15 . CLA ES 33 . ? 39.413 11.165 -5.383 1.00 64.14 ? 602 CLA b C15 1 ? ? +54539 HETATM C C16 . CLA ES 33 . ? 38.439 11.250 -6.565 1.00 64.12 ? 602 CLA b C16 1 ? ? +54540 HETATM C C17 . CLA ES 33 . ? 37.254 11.983 -5.969 1.00 64.34 ? 602 CLA b C17 1 ? ? +54541 HETATM C C18 . CLA ES 33 . ? 36.092 12.482 -6.802 1.00 64.33 ? 602 CLA b C18 1 ? ? +54542 HETATM C C19 . CLA ES 33 . ? 36.058 13.931 -7.252 1.00 64.95 ? 602 CLA b C19 1 ? ? +54543 HETATM C C20 . CLA ES 33 . ? 35.090 11.403 -7.211 1.00 64.00 ? 602 CLA b C20 1 ? ? +54544 HETATM C C1 . GOL ET 38 . ? 26.602 25.109 -26.412 1.00 76.80 ? 628 GOL b C1 1 ? ? +54545 HETATM O O1 . GOL ET 38 . ? 27.687 26.030 -26.368 1.00 76.58 ? 628 GOL b O1 1 ? ? +54546 HETATM C C2 . GOL ET 38 . ? 25.457 25.647 -27.243 1.00 77.63 ? 628 GOL b C2 1 ? ? +54547 HETATM O O2 . GOL ET 38 . ? 24.946 26.851 -26.661 1.00 78.60 ? 628 GOL b O2 1 ? ? +54548 HETATM C C3 . GOL ET 38 . ? 25.842 25.880 -28.688 1.00 77.19 ? 628 GOL b C3 1 ? ? +54549 HETATM O O3 . GOL ET 38 . ? 27.091 26.552 -28.795 1.00 78.96 ? 628 GOL b O3 1 ? ? +54550 HETATM MG MG . MG EU 40 . ? 14.561 44.290 6.018 1.00 65.67 2 102 MG j MG 1 ? ? +54551 HETATM CL CL A CL EV 45 . ? 28.448 -32.360 -69.011 0.40 45.81 ? 403 CL A CL 1 ? ? +54552 HETATM CL CL B CL EV 45 . ? 28.473 -32.314 -68.937 0.60 45.79 ? 403 CL A CL 1 ? ? +54553 HETATM MG MG . CLA EW 33 . ? -19.540 -52.506 -14.687 1.00 58.14 ? 609 CLA B MG 1 ? ? +54554 HETATM C CHA . CLA EW 33 . ? -18.048 -55.504 -13.758 1.00 58.79 ? 609 CLA B CHA 1 ? ? +54555 HETATM C CHB . CLA EW 33 . ? -16.352 -51.302 -15.177 1.00 56.01 ? 609 CLA B CHB 1 ? ? +54556 HETATM C CHC . CLA EW 33 . ? -20.727 -50.106 -16.961 1.00 57.38 ? 609 CLA B CHC 1 ? ? +54557 HETATM C CHD . CLA EW 33 . ? -22.490 -54.420 -15.607 1.00 60.15 ? 609 CLA B CHD 1 ? ? +54558 HETATM N NA . CLA EW 33 . ? -17.632 -53.191 -14.464 1.00 57.46 ? 609 CLA B NA 1 ? ? +54559 HETATM C C1A . CLA EW 33 . ? -17.220 -54.319 -13.966 1.00 57.84 ? 609 CLA B C1A 1 ? ? +54560 HETATM C C2A . CLA EW 33 . ? -15.832 -54.310 -13.382 1.00 57.47 ? 609 CLA B C2A 1 ? ? +54561 HETATM C C3A . CLA EW 33 . ? -15.364 -52.922 -13.718 1.00 56.54 ? 609 CLA B C3A 1 ? ? +54562 HETATM C C4A . CLA EW 33 . ? -16.524 -52.436 -14.535 1.00 56.69 ? 609 CLA B C4A 1 ? ? +54563 HETATM C CMA . CLA EW 33 . ? -15.110 -52.062 -12.489 1.00 56.31 ? 609 CLA B CMA 1 ? ? +54564 HETATM C CAA . CLA EW 33 . ? -14.890 -55.375 -13.939 1.00 57.50 ? 609 CLA B CAA 1 ? ? +54565 HETATM C CBA . CLA EW 33 . ? -14.685 -55.175 -15.438 1.00 57.09 ? 609 CLA B CBA 1 ? ? +54566 HETATM C CGA . CLA EW 33 . ? -13.912 -56.295 -16.054 1.00 57.21 ? 609 CLA B CGA 1 ? ? +54567 HETATM O O1A . CLA EW 33 . ? -13.765 -57.355 -15.495 1.00 57.66 ? 609 CLA B O1A 1 ? ? +54568 HETATM O O2A . CLA EW 33 . ? -13.362 -56.094 -17.367 1.00 57.00 ? 609 CLA B O2A 1 ? ? +54569 HETATM N NB . CLA EW 33 . ? -18.713 -51.029 -15.873 1.00 56.88 ? 609 CLA B NB 1 ? ? +54570 HETATM C C1B . CLA EW 33 . ? -17.424 -50.608 -15.867 1.00 56.12 ? 609 CLA B C1B 1 ? ? +54571 HETATM C C2B . CLA EW 33 . ? -17.062 -49.472 -16.720 1.00 55.40 ? 609 CLA B C2B 1 ? ? +54572 HETATM C C3B . CLA EW 33 . ? -18.350 -49.107 -17.266 1.00 55.82 ? 609 CLA B C3B 1 ? ? +54573 HETATM C C4B . CLA EW 33 . ? -19.297 -50.075 -16.653 1.00 56.69 ? 609 CLA B C4B 1 ? ? +54574 HETATM C CMB . CLA EW 33 . ? -15.717 -48.839 -16.953 1.00 54.45 ? 609 CLA B CMB 1 ? ? +54575 HETATM C CAB . CLA EW 33 . ? -18.452 -47.942 -18.198 1.00 55.49 ? 609 CLA B CAB 1 ? ? +54576 HETATM C CBB . CLA EW 33 . ? -19.577 -47.435 -18.659 1.00 55.87 ? 609 CLA B CBB 1 ? ? +54577 HETATM N NC . CLA EW 33 . ? -21.187 -52.333 -15.984 1.00 58.61 ? 609 CLA B NC 1 ? ? +54578 HETATM C C1C . CLA EW 33 . ? -21.579 -51.273 -16.732 1.00 58.26 ? 609 CLA B C1C 1 ? ? +54579 HETATM C C2C . CLA EW 33 . ? -22.859 -51.383 -17.497 1.00 58.83 ? 609 CLA B C2C 1 ? ? +54580 HETATM C C3C . CLA EW 33 . ? -23.359 -52.660 -17.090 1.00 59.63 ? 609 CLA B C3C 1 ? ? +54581 HETATM C C4C . CLA EW 33 . ? -22.319 -53.090 -16.147 1.00 59.40 ? 609 CLA B C4C 1 ? ? +54582 HETATM C CMC . CLA EW 33 . ? -23.514 -50.430 -18.457 1.00 58.68 ? 609 CLA B CMC 1 ? ? +54583 HETATM C CAC . CLA EW 33 . ? -24.664 -53.330 -17.448 1.00 60.69 ? 609 CLA B CAC 1 ? ? +54584 HETATM C CBC . CLA EW 33 . ? -25.636 -53.020 -16.309 1.00 61.29 ? 609 CLA B CBC 1 ? ? +54585 HETATM N ND . CLA EW 33 . ? -20.050 -54.470 -14.987 1.00 59.00 ? 609 CLA B ND 1 ? ? +54586 HETATM C C1D . CLA EW 33 . ? -21.384 -55.069 -14.948 1.00 59.95 ? 609 CLA B C1D 1 ? ? +54587 HETATM C C2D . CLA EW 33 . ? -21.443 -56.434 -14.350 1.00 60.67 ? 609 CLA B C2D 1 ? ? +54588 HETATM C C3D . CLA EW 33 . ? -20.077 -56.522 -13.849 1.00 60.13 ? 609 CLA B C3D 1 ? ? +54589 HETATM C C4D . CLA EW 33 . ? -19.442 -55.380 -14.133 1.00 59.30 ? 609 CLA B C4D 1 ? ? +54590 HETATM C CMD . CLA EW 33 . ? -22.480 -57.516 -14.166 1.00 61.70 ? 609 CLA B CMD 1 ? ? +54591 HETATM C CAD . CLA EW 33 . ? -19.155 -57.436 -13.132 1.00 60.29 ? 609 CLA B CAD 1 ? ? +54592 HETATM O OBD . CLA EW 33 . ? -19.433 -58.585 -12.637 1.00 61.09 ? 609 CLA B OBD 1 ? ? +54593 HETATM C CBD . CLA EW 33 . ? -17.852 -56.747 -12.966 1.00 59.43 ? 609 CLA B CBD 1 ? ? +54594 HETATM C CGD . CLA EW 33 . ? -17.793 -56.388 -11.509 1.00 59.65 ? 609 CLA B CGD 1 ? ? +54595 HETATM O O1D . CLA EW 33 . ? -16.769 -56.426 -10.849 1.00 59.46 ? 609 CLA B O1D 1 ? ? +54596 HETATM O O2D . CLA EW 33 . ? -19.022 -55.976 -10.858 1.00 60.19 ? 609 CLA B O2D 1 ? ? +54597 HETATM C CED . CLA EW 33 . ? -19.040 -55.483 -9.527 1.00 60.33 ? 609 CLA B CED 1 ? ? +54598 HETATM C C1 . CLA EW 33 . ? -12.804 -57.190 -18.061 1.00 57.51 ? 609 CLA B C1 1 ? ? +54599 HETATM C C2 . CLA EW 33 . ? -12.141 -56.592 -19.265 1.00 57.24 ? 609 CLA B C2 1 ? ? +54600 HETATM C C3 . CLA EW 33 . ? -10.816 -56.281 -19.274 1.00 57.10 ? 609 CLA B C3 1 ? ? +54601 HETATM C C4 . CLA EW 33 . ? -9.939 -56.532 -18.093 1.00 56.93 ? 609 CLA B C4 1 ? ? +54602 HETATM C C5 . CLA EW 33 . ? -10.147 -55.667 -20.476 1.00 57.04 ? 609 CLA B C5 1 ? ? +54603 HETATM C C6 . CLA EW 33 . ? -11.023 -55.605 -21.724 1.00 57.78 ? 609 CLA B C6 1 ? ? +54604 HETATM C C7 . CLA EW 33 . ? -10.139 -55.073 -22.831 1.00 57.78 ? 609 CLA B C7 1 ? ? +54605 HETATM C C8 . CLA EW 33 . ? -10.576 -55.268 -24.272 1.00 58.59 ? 609 CLA B C8 1 ? ? +54606 HETATM C C9 . CLA EW 33 . ? -11.723 -56.169 -24.667 1.00 59.84 ? 609 CLA B C9 1 ? ? +54607 HETATM C C10 . CLA EW 33 . ? -9.895 -54.362 -25.261 1.00 58.50 ? 609 CLA B C10 1 ? ? +54608 HETATM C C11 . CLA EW 33 . ? -10.555 -54.056 -26.596 1.00 59.03 ? 609 CLA B C11 1 ? ? +54609 HETATM C C12 . CLA EW 33 . ? -9.398 -53.776 -27.554 1.00 59.02 ? 609 CLA B C12 1 ? ? +54610 HETATM C C13 . CLA EW 33 . ? -9.809 -53.822 -29.011 1.00 59.61 ? 609 CLA B C13 1 ? ? +54611 HETATM C C14 . CLA EW 33 . ? -8.563 -53.615 -29.879 1.00 58.97 ? 609 CLA B C14 1 ? ? +54612 HETATM C C15 . CLA EW 33 . ? -10.883 -52.781 -29.287 1.00 59.76 ? 609 CLA B C15 1 ? ? +54613 HETATM C C16 . CLA EW 33 . ? -11.454 -53.051 -30.665 1.00 60.34 ? 609 CLA B C16 1 ? ? +54614 HETATM C C17 . CLA EW 33 . ? -12.849 -52.475 -30.706 1.00 61.11 ? 609 CLA B C17 1 ? ? +54615 HETATM C C18 . CLA EW 33 . ? -13.471 -52.382 -32.083 1.00 61.54 ? 609 CLA B C18 1 ? ? +54616 HETATM C C19 . CLA EW 33 . ? -12.626 -52.352 -33.339 1.00 61.35 ? 609 CLA B C19 1 ? ? +54617 HETATM C C20 . CLA EW 33 . ? -14.993 -52.337 -32.195 1.00 62.32 ? 609 CLA B C20 1 ? ? +54618 HETATM MG MG . CLA EX 33 . ? 48.831 -69.143 -65.290 1.00 62.46 ? 504 CLA C MG 1 ? ? +54619 HETATM C CHA . CLA EX 33 . ? 46.942 -66.285 -65.882 1.00 60.37 ? 504 CLA C CHA 1 ? ? +54620 HETATM C CHB . CLA EX 33 . ? 50.846 -68.234 -67.844 1.00 63.61 ? 504 CLA C CHB 1 ? ? +54621 HETATM C CHC . CLA EX 33 . ? 51.600 -70.909 -63.881 1.00 64.28 ? 504 CLA C CHC 1 ? ? +54622 HETATM C CHD . CLA EX 33 . ? 47.452 -69.127 -61.923 1.00 61.11 ? 504 CLA C CHD 1 ? ? +54623 HETATM N NA . CLA EX 33 . ? 48.962 -67.526 -66.544 1.00 62.12 ? 504 CLA C NA 1 ? ? +54624 HETATM C C1A . CLA EX 33 . ? 48.095 -66.556 -66.740 1.00 61.33 ? 504 CLA C C1A 1 ? ? +54625 HETATM C C2A . CLA EX 33 . ? 48.235 -65.803 -68.046 1.00 61.51 ? 504 CLA C C2A 1 ? ? +54626 HETATM C C3A . CLA EX 33 . ? 49.555 -66.339 -68.564 1.00 62.34 ? 504 CLA C C3A 1 ? ? +54627 HETATM C C4A . CLA EX 33 . ? 49.836 -67.430 -67.573 1.00 62.67 ? 504 CLA C C4A 1 ? ? +54628 HETATM C CMA . CLA EX 33 . ? 49.411 -66.863 -69.996 1.00 62.73 ? 504 CLA C CMA 1 ? ? +54629 HETATM C CAA . CLA EX 33 . ? 48.204 -64.271 -68.005 1.00 61.10 ? 504 CLA C CAA 1 ? ? +54630 HETATM C CBA . CLA EX 33 . ? 49.242 -63.641 -67.078 1.00 61.22 ? 504 CLA C CBA 1 ? ? +54631 HETATM C CGA . CLA EX 33 . ? 48.791 -62.309 -66.536 1.00 60.70 ? 504 CLA C CGA 1 ? ? +54632 HETATM O O1A . CLA EX 33 . ? 47.934 -61.605 -67.049 1.00 60.32 ? 504 CLA C O1A 1 ? ? +54633 HETATM O O2A . CLA EX 33 . ? 49.404 -61.841 -65.323 1.00 60.82 ? 504 CLA C O2A 1 ? ? +54634 HETATM N NB . CLA EX 33 . ? 50.841 -69.485 -65.732 1.00 63.66 ? 504 CLA C NB 1 ? ? +54635 HETATM C C1B . CLA EX 33 . ? 51.439 -69.135 -66.884 1.00 64.15 ? 504 CLA C C1B 1 ? ? +54636 HETATM C C2B . CLA EX 33 . ? 52.844 -69.511 -67.108 1.00 65.34 ? 504 CLA C C2B 1 ? ? +54637 HETATM C C3B . CLA EX 33 . ? 53.102 -70.296 -65.925 1.00 65.66 ? 504 CLA C C3B 1 ? ? +54638 HETATM C C4B . CLA EX 33 . ? 51.802 -70.272 -65.174 1.00 64.44 ? 504 CLA C C4B 1 ? ? +54639 HETATM C CMB . CLA EX 33 . ? 53.783 -69.207 -68.247 1.00 66.06 ? 504 CLA C CMB 1 ? ? +54640 HETATM C CAB . CLA EX 33 . ? 54.451 -70.916 -65.756 1.00 66.95 ? 504 CLA C CAB 1 ? ? +54641 HETATM C CBB . CLA EX 33 . ? 54.779 -71.672 -64.747 1.00 67.64 ? 504 CLA C CBB 1 ? ? +54642 HETATM N NC . CLA EX 33 . ? 49.398 -69.819 -63.382 1.00 62.63 ? 504 CLA C NC 1 ? ? +54643 HETATM C C1C . CLA EX 33 . ? 50.470 -70.582 -63.007 1.00 63.44 ? 504 CLA C C1C 1 ? ? +54644 HETATM C C2C . CLA EX 33 . ? 50.540 -70.975 -61.570 1.00 63.43 ? 504 CLA C C2C 1 ? ? +54645 HETATM C C3C . CLA EX 33 . ? 49.311 -70.460 -60.998 1.00 62.48 ? 504 CLA C C3C 1 ? ? +54646 HETATM C C4C . CLA EX 33 . ? 48.702 -69.830 -62.181 1.00 62.11 ? 504 CLA C C4C 1 ? ? +54647 HETATM C CMC . CLA EX 33 . ? 51.594 -71.743 -60.844 1.00 64.28 ? 504 CLA C CMC 1 ? ? +54648 HETATM C CAC . CLA EX 33 . ? 48.793 -70.548 -59.584 1.00 62.09 ? 504 CLA C CAC 1 ? ? +54649 HETATM C CBC . CLA EX 33 . ? 49.069 -69.245 -58.867 1.00 61.68 ? 504 CLA C CBC 1 ? ? +54650 HETATM N ND . CLA EX 33 . ? 47.802 -67.844 -64.056 1.00 61.11 ? 504 CLA C ND 1 ? ? +54651 HETATM C C1D . CLA EX 33 . ? 46.966 -68.218 -62.905 1.00 60.59 ? 504 CLA C C1D 1 ? ? +54652 HETATM C C2D . CLA EX 33 . ? 45.713 -67.453 -62.760 1.00 59.78 ? 504 CLA C C2D 1 ? ? +54653 HETATM C C3D . CLA EX 33 . ? 45.761 -66.710 -64.012 1.00 59.69 ? 504 CLA C C3D 1 ? ? +54654 HETATM C C4D . CLA EX 33 . ? 46.854 -67.057 -64.685 1.00 60.38 ? 504 CLA C C4D 1 ? ? +54655 HETATM C CMD . CLA EX 33 . ? 44.580 -67.360 -61.770 1.00 59.16 ? 504 CLA C CMD 1 ? ? +54656 HETATM C CAD . CLA EX 33 . ? 44.958 -65.758 -64.800 1.00 59.17 ? 504 CLA C CAD 1 ? ? +54657 HETATM O OBD . CLA EX 33 . ? 43.833 -65.245 -64.435 1.00 58.45 ? 504 CLA C OBD 1 ? ? +54658 HETATM C CBD . CLA EX 33 . ? 45.717 -65.446 -66.055 1.00 59.59 ? 504 CLA C CBD 1 ? ? +54659 HETATM C CGD . CLA EX 33 . ? 44.916 -65.795 -67.274 1.00 59.54 ? 504 CLA C CGD 1 ? ? +54660 HETATM O O1D . CLA EX 33 . ? 44.669 -64.961 -68.136 1.00 59.32 ? 504 CLA C O1D 1 ? ? +54661 HETATM O O2D . CLA EX 33 . ? 44.422 -67.145 -67.448 1.00 59.70 ? 504 CLA C O2D 1 ? ? +54662 HETATM C CED . CLA EX 33 . ? 44.278 -67.602 -68.786 1.00 60.06 ? 504 CLA C CED 1 ? ? +54663 HETATM C C1 . CLA EX 33 . ? 48.998 -60.607 -64.767 1.00 60.40 ? 504 CLA C C1 1 ? ? +54664 HETATM C C2 . CLA EX 33 . ? 50.011 -60.147 -63.744 1.00 60.74 ? 504 CLA C C2 1 ? ? +54665 HETATM C C3 . CLA EX 33 . ? 49.721 -59.846 -62.472 1.00 60.62 ? 504 CLA C C3 1 ? ? +54666 HETATM C C4 . CLA EX 33 . ? 48.311 -59.946 -61.965 1.00 59.88 ? 504 CLA C C4 1 ? ? +54667 HETATM C C5 . CLA EX 33 . ? 50.826 -59.346 -61.567 1.00 61.17 ? 504 CLA C C5 1 ? ? +54668 HETATM C C6 . CLA EX 33 . ? 51.476 -60.461 -60.808 1.00 62.10 ? 504 CLA C C6 1 ? ? +54669 HETATM C C7 . CLA EX 33 . ? 52.440 -59.848 -59.797 1.00 62.79 ? 504 CLA C C7 1 ? ? +54670 HETATM C C8 . CLA EX 33 . ? 51.821 -59.440 -58.466 1.00 62.46 ? 504 CLA C C8 1 ? ? +54671 HETATM C C9 . CLA EX 33 . ? 52.644 -58.651 -57.463 1.00 62.70 ? 504 CLA C C9 1 ? ? +54672 HETATM C C10 . CLA EX 33 . ? 50.402 -59.812 -58.116 1.00 61.87 ? 504 CLA C C10 1 ? ? +54673 HETATM C C11 . CLA EX 33 . ? 50.639 -61.060 -57.265 1.00 62.47 ? 504 CLA C C11 1 ? ? +54674 HETATM C C12 . CLA EX 33 . ? 49.549 -62.110 -57.335 1.00 62.40 ? 504 CLA C C12 1 ? ? +54675 HETATM C C13 . CLA EX 33 . ? 48.255 -61.594 -56.726 1.00 61.96 ? 504 CLA C C13 1 ? ? +54676 HETATM C C14 . CLA EX 33 . ? 48.402 -61.231 -55.244 1.00 61.82 ? 504 CLA C C14 1 ? ? +54677 HETATM C C15 . CLA EX 33 . ? 47.169 -62.655 -56.897 1.00 61.97 ? 504 CLA C C15 1 ? ? +54678 HETATM C C16 . CLA EX 33 . ? 46.690 -62.782 -58.342 1.00 61.93 ? 504 CLA C C16 1 ? ? +54679 HETATM C C17 . CLA EX 33 . ? 45.346 -63.514 -58.435 1.00 61.44 ? 504 CLA C C17 1 ? ? +54680 HETATM C C18 . CLA EX 33 . ? 45.464 -65.038 -58.502 1.00 61.94 ? 504 CLA C C18 1 ? ? +54681 HETATM C C19 . CLA EX 33 . ? 46.801 -65.773 -58.693 1.00 62.73 ? 504 CLA C C19 1 ? ? +54682 HETATM C C20 . CLA EX 33 . ? 44.233 -65.861 -58.150 1.00 61.80 ? 504 CLA C C20 1 ? ? +54683 HETATM O O1 A LHG EY 39 . ? 23.128 -43.766 -12.146 0.40 52.99 ? 406 LHG D O1 1 ? ? +54684 HETATM O O1 B LHG EY 39 . ? 22.650 -44.390 -11.985 0.60 53.97 ? 406 LHG D O1 1 ? ? +54685 HETATM C C1 A LHG EY 39 . ? 23.601 -44.588 -13.207 0.40 52.88 ? 406 LHG D C1 1 ? ? +54686 HETATM C C1 B LHG EY 39 . ? 23.272 -44.978 -13.121 0.60 53.63 ? 406 LHG D C1 1 ? ? +54687 HETATM C C2 A LHG EY 39 . ? 24.754 -45.452 -12.748 0.40 53.41 ? 406 LHG D C2 1 ? ? +54688 HETATM C C2 B LHG EY 39 . ? 24.728 -45.243 -12.834 0.60 53.89 ? 406 LHG D C2 1 ? ? +54689 HETATM O O2 A LHG EY 39 . ? 25.698 -44.676 -12.009 0.40 53.67 ? 406 LHG D O2 1 ? ? +54690 HETATM O O2 B LHG EY 39 . ? 25.400 -43.992 -12.716 0.60 53.96 ? 406 LHG D O2 1 ? ? +54691 HETATM C C3 A LHG EY 39 . ? 25.467 -46.127 -13.896 0.40 53.36 ? 406 LHG D C3 1 ? ? +54692 HETATM C C3 B LHG EY 39 . ? 25.405 -46.082 -13.889 0.60 53.73 ? 406 LHG D C3 1 ? ? +54693 HETATM O O3 A LHG EY 39 . ? 26.461 -45.246 -14.487 0.40 52.92 ? 406 LHG D O3 1 ? ? +54694 HETATM O O3 B LHG EY 39 . ? 26.274 -45.269 -14.726 0.60 53.01 ? 406 LHG D O3 1 ? ? +54695 HETATM P P A LHG EY 39 . ? 27.756 -45.907 -15.168 0.40 52.88 ? 406 LHG D P 1 ? ? +54696 HETATM P P B LHG EY 39 . ? 27.675 -45.893 -15.198 0.60 52.73 ? 406 LHG D P 1 ? ? +54697 HETATM O O4 A LHG EY 39 . ? 28.925 -45.482 -14.325 0.40 53.35 ? 406 LHG D O4 1 ? ? +54698 HETATM O O4 B LHG EY 39 . ? 28.678 -45.377 -14.204 0.60 53.19 ? 406 LHG D O4 1 ? ? +54699 HETATM O O5 A LHG EY 39 . ? 27.494 -47.364 -15.419 0.40 53.07 ? 406 LHG D O5 1 ? ? +54700 HETATM O O5 B LHG EY 39 . ? 27.524 -47.368 -15.422 0.60 52.91 ? 406 LHG D O5 1 ? ? +54701 HETATM O O6 A LHG EY 39 . ? 27.832 -45.185 -16.598 0.40 52.47 ? 406 LHG D O6 1 ? ? +54702 HETATM O O6 B LHG EY 39 . ? 27.880 -45.247 -16.651 0.60 52.32 ? 406 LHG D O6 1 ? ? +54703 HETATM C C4 A LHG EY 39 . ? 28.616 -43.975 -16.727 0.40 52.48 ? 406 LHG D C4 1 ? ? +54704 HETATM C C4 B LHG EY 39 . ? 28.639 -44.024 -16.772 0.60 52.35 ? 406 LHG D C4 1 ? ? +54705 HETATM C C5 A LHG EY 39 . ? 27.999 -43.075 -17.770 0.40 52.04 ? 406 LHG D C5 1 ? ? +54706 HETATM C C5 B LHG EY 39 . ? 28.016 -43.134 -17.818 0.60 51.93 ? 406 LHG D C5 1 ? ? +54707 HETATM C C6 A LHG EY 39 . ? 28.623 -41.699 -17.810 0.40 52.00 ? 406 LHG D C6 1 ? ? +54708 HETATM C C6 B LHG EY 39 . ? 28.675 -41.778 -17.894 0.60 51.95 ? 406 LHG D C6 1 ? ? +54709 HETATM O O7 A LHG EY 39 . ? 28.151 -43.713 -19.064 0.40 51.99 ? 406 LHG D O7 1 ? ? +54710 HETATM O O7 B LHG EY 39 . ? 28.135 -43.801 -19.101 0.60 51.95 ? 406 LHG D O7 1 ? ? +54711 HETATM C C7 A LHG EY 39 . ? 27.038 -44.088 -19.708 0.40 52.15 ? 406 LHG D C7 1 ? ? +54712 HETATM C C7 B LHG EY 39 . ? 27.019 -44.164 -19.748 0.60 52.34 ? 406 LHG D C7 1 ? ? +54713 HETATM O O9 A LHG EY 39 . ? 25.936 -43.946 -19.241 0.40 51.92 ? 406 LHG D O9 1 ? ? +54714 HETATM O O9 B LHG EY 39 . ? 25.903 -44.035 -19.303 0.60 52.04 ? 406 LHG D O9 1 ? ? +54715 HETATM C C8 A LHG EY 39 . ? 27.328 -44.662 -21.065 0.40 52.33 ? 406 LHG D C8 1 ? ? +54716 HETATM C C8 B LHG EY 39 . ? 27.339 -44.693 -21.117 0.60 52.65 ? 406 LHG D C8 1 ? ? +54717 HETATM C C9 A LHG EY 39 . ? 26.420 -44.133 -22.133 0.40 52.06 ? 406 LHG D C9 1 ? ? +54718 HETATM C C9 B LHG EY 39 . ? 26.421 -44.168 -22.179 0.60 52.51 ? 406 LHG D C9 1 ? ? +54719 HETATM C C10 A LHG EY 39 . ? 26.653 -42.656 -22.411 0.40 51.94 ? 406 LHG D C10 1 ? ? +54720 HETATM C C10 B LHG EY 39 . ? 26.603 -42.675 -22.402 0.60 52.58 ? 406 LHG D C10 1 ? ? +54721 HETATM O O8 A LHG EY 39 . ? 27.877 -40.874 -18.729 0.40 51.85 ? 406 LHG D O8 1 ? ? +54722 HETATM O O8 B LHG EY 39 . ? 27.940 -40.951 -18.821 0.60 51.92 ? 406 LHG D O8 1 ? ? +54723 HETATM C C23 A LHG EY 39 . ? 28.260 -39.606 -18.809 0.40 51.95 ? 406 LHG D C23 1 ? ? +54724 HETATM C C23 B LHG EY 39 . ? 28.214 -39.650 -18.793 0.60 52.13 ? 406 LHG D C23 1 ? ? +54725 HETATM O O10 A LHG EY 39 . ? 29.187 -39.167 -18.185 0.40 52.30 ? 406 LHG D O10 1 ? ? +54726 HETATM O O10 B LHG EY 39 . ? 29.022 -39.170 -18.045 0.60 52.50 ? 406 LHG D O10 1 ? ? +54727 HETATM C C24 A LHG EY 39 . ? 27.399 -38.821 -19.761 0.40 51.60 ? 406 LHG D C24 1 ? ? +54728 HETATM C C24 B LHG EY 39 . ? 27.404 -38.885 -19.806 0.60 51.81 ? 406 LHG D C24 1 ? ? +54729 HETATM C C11 A LHG EY 39 . ? 26.214 -42.214 -23.776 0.40 51.81 ? 406 LHG D C11 1 ? ? +54730 HETATM C C11 B LHG EY 39 . ? 26.198 -42.200 -23.765 0.60 52.67 ? 406 LHG D C11 1 ? ? +54731 HETATM C C12 A LHG EY 39 . ? 26.895 -40.968 -24.267 0.40 51.86 ? 406 LHG D C12 1 ? ? +54732 HETATM C C12 B LHG EY 39 . ? 26.917 -40.965 -24.226 0.60 52.95 ? 406 LHG D C12 1 ? ? +54733 HETATM C C13 A LHG EY 39 . ? 27.361 -41.053 -25.693 0.40 52.05 ? 406 LHG D C13 1 ? ? +54734 HETATM C C13 B LHG EY 39 . ? 27.521 -41.094 -25.593 0.60 53.44 ? 406 LHG D C13 1 ? ? +54735 HETATM C C14 A LHG EY 39 . ? 28.270 -39.933 -26.105 0.40 52.23 ? 406 LHG D C14 1 ? ? +54736 HETATM C C14 B LHG EY 39 . ? 28.217 -39.853 -26.067 0.60 53.76 ? 406 LHG D C14 1 ? ? +54737 HETATM C C15 A LHG EY 39 . ? 27.887 -39.285 -27.405 0.40 52.07 ? 406 LHG D C15 1 ? ? +54738 HETATM C C15 B LHG EY 39 . ? 27.652 -39.268 -27.330 0.60 53.72 ? 406 LHG D C15 1 ? ? +54739 HETATM C C16 A LHG EY 39 . ? 27.875 -37.781 -27.358 0.40 52.05 ? 406 LHG D C16 1 ? ? +54740 HETATM C C16 B LHG EY 39 . ? 27.794 -37.773 -27.427 0.60 54.00 ? 406 LHG D C16 1 ? ? +54741 HETATM C C17 A LHG EY 39 . ? 27.052 -37.141 -28.447 0.40 51.93 ? 406 LHG D C17 1 ? ? +54742 HETATM C C17 B LHG EY 39 . ? 27.047 -37.166 -28.589 0.60 54.11 ? 406 LHG D C17 1 ? ? +54743 HETATM C C18 A LHG EY 39 . ? 26.993 -35.637 -28.376 0.40 51.82 ? 406 LHG D C18 1 ? ? +54744 HETATM C C18 B LHG EY 39 . ? 26.867 -35.669 -28.508 0.60 54.12 ? 406 LHG D C18 1 ? ? +54745 HETATM C C19 A LHG EY 39 . ? 27.624 -34.951 -29.553 0.40 51.90 ? 406 LHG D C19 1 ? ? +54746 HETATM C C19 B LHG EY 39 . ? 27.716 -34.901 -29.477 0.60 54.41 ? 406 LHG D C19 1 ? ? +54747 HETATM C C20 A LHG EY 39 . ? 27.073 -33.581 -29.836 0.40 51.82 ? 406 LHG D C20 1 ? ? +54748 HETATM C C20 B LHG EY 39 . ? 27.241 -33.501 -29.742 0.60 54.58 ? 406 LHG D C20 1 ? ? +54749 HETATM C C21 A LHG EY 39 . ? 27.971 -32.751 -30.715 0.40 52.08 ? 406 LHG D C21 1 ? ? +54750 HETATM C C21 B LHG EY 39 . ? 28.177 -32.733 -30.641 0.60 55.15 ? 406 LHG D C21 1 ? ? +54751 HETATM C C22 A LHG EY 39 . ? 27.543 -31.306 -30.791 0.40 52.06 ? 406 LHG D C22 1 ? ? +54752 HETATM C C22 B LHG EY 39 . ? 27.850 -31.261 -30.710 0.60 55.48 ? 406 LHG D C22 1 ? ? +54753 HETATM C C25 A LHG EY 39 . ? 28.140 -37.722 -20.465 0.40 51.63 ? 406 LHG D C25 1 ? ? +54754 HETATM C C25 B LHG EY 39 . ? 28.168 -37.776 -20.475 0.60 52.00 ? 406 LHG D C25 1 ? ? +54755 HETATM C C26 A LHG EY 39 . ? 29.215 -38.249 -21.400 0.40 52.01 ? 406 LHG D C26 1 ? ? +54756 HETATM C C26 B LHG EY 39 . ? 29.238 -38.290 -21.426 0.60 52.48 ? 406 LHG D C26 1 ? ? +54757 HETATM C C27 A LHG EY 39 . ? 30.040 -37.185 -22.074 0.40 52.06 ? 406 LHG D C27 1 ? ? +54758 HETATM C C27 B LHG EY 39 . ? 30.020 -37.217 -22.135 0.60 52.60 ? 406 LHG D C27 1 ? ? +54759 HETATM C C28 A LHG EY 39 . ? 31.300 -37.705 -22.719 0.40 52.56 ? 406 LHG D C28 1 ? ? +54760 HETATM C C28 B LHG EY 39 . ? 31.295 -37.709 -22.775 0.60 53.18 ? 406 LHG D C28 1 ? ? +54761 HETATM C C29 A LHG EY 39 . ? 31.124 -38.160 -24.144 0.40 52.58 ? 406 LHG D C29 1 ? ? +54762 HETATM C C29 B LHG EY 39 . ? 31.127 -38.218 -24.181 0.60 53.27 ? 406 LHG D C29 1 ? ? +54763 HETATM C C30 A LHG EY 39 . ? 32.369 -38.747 -24.756 0.40 53.13 ? 406 LHG D C30 1 ? ? +54764 HETATM C C30 B LHG EY 39 . ? 32.381 -38.809 -24.766 0.60 53.89 ? 406 LHG D C30 1 ? ? +54765 HETATM C C31 A LHG EY 39 . ? 33.306 -37.739 -25.377 0.40 53.36 ? 406 LHG D C31 1 ? ? +54766 HETATM C C31 B LHG EY 39 . ? 33.363 -37.799 -25.310 0.60 54.25 ? 406 LHG D C31 1 ? ? +54767 HETATM C C32 A LHG EY 39 . ? 34.679 -38.296 -25.689 0.40 54.03 ? 406 LHG D C32 1 ? ? +54768 HETATM C C32 B LHG EY 39 . ? 34.726 -38.383 -25.636 0.60 55.00 ? 406 LHG D C32 1 ? ? +54769 HETATM C C33 A LHG EY 39 . ? 35.500 -37.444 -26.616 0.40 54.29 ? 406 LHG D C33 1 ? ? +54770 HETATM C C33 B LHG EY 39 . ? 35.555 -37.530 -26.552 0.60 55.43 ? 406 LHG D C33 1 ? ? +54771 HETATM C C34 A LHG EY 39 . ? 36.958 -37.832 -26.679 0.40 55.10 ? 406 LHG D C34 1 ? ? +54772 HETATM C C34 B LHG EY 39 . ? 37.015 -37.915 -26.610 0.60 56.41 ? 406 LHG D C34 1 ? ? +54773 HETATM C C35 A LHG EY 39 . ? 37.191 -39.260 -27.107 0.40 55.55 ? 406 LHG D C35 1 ? ? +54774 HETATM C C35 B LHG EY 39 . ? 37.265 -39.262 -27.244 0.60 56.97 ? 406 LHG D C35 1 ? ? +54775 HETATM C C36 A LHG EY 39 . ? 38.594 -39.546 -27.596 0.40 56.02 ? 406 LHG D C36 1 ? ? +54776 HETATM C C36 B LHG EY 39 . ? 38.692 -39.492 -27.708 0.60 57.42 ? 406 LHG D C36 1 ? ? +54777 HETATM C C37 A LHG EY 39 . ? 39.675 -39.036 -26.706 0.40 56.41 ? 406 LHG D C37 1 ? ? +54778 HETATM C C37 B LHG EY 39 . ? 39.741 -39.223 -26.691 0.60 57.93 ? 406 LHG D C37 1 ? ? +54779 HETATM C C38 A LHG EY 39 . ? 41.001 -39.688 -26.981 0.40 57.20 ? 406 LHG D C38 1 ? ? +54780 HETATM C C38 B LHG EY 39 . ? 41.114 -39.564 -27.199 0.60 58.88 ? 406 LHG D C38 1 ? ? +54781 HETATM C C1 . BCR EZ 30 . ? 38.278 -33.477 -23.920 1.00 60.18 ? 102 BCR T C1 1 ? ? +54782 HETATM C C2 . BCR EZ 30 . ? 38.590 -34.960 -24.168 1.00 60.20 ? 102 BCR T C2 1 ? ? +54783 HETATM C C3 . BCR EZ 30 . ? 39.988 -35.222 -24.589 1.00 60.38 ? 102 BCR T C3 1 ? ? +54784 HETATM C C4 . BCR EZ 30 . ? 40.943 -34.649 -23.564 1.00 60.27 ? 102 BCR T C4 1 ? ? +54785 HETATM C C5 . BCR EZ 30 . ? 40.697 -33.195 -23.314 1.00 59.53 ? 102 BCR T C5 1 ? ? +54786 HETATM C C6 . BCR EZ 30 . ? 39.467 -32.651 -23.444 1.00 59.29 ? 102 BCR T C6 1 ? ? +54787 HETATM C C7 . BCR EZ 30 . ? 39.329 -31.260 -23.100 1.00 58.84 ? 102 BCR T C7 1 ? ? +54788 HETATM C C8 . BCR EZ 30 . ? 38.243 -30.468 -23.093 1.00 58.08 ? 102 BCR T C8 1 ? ? +54789 HETATM C C9 . BCR EZ 30 . ? 38.289 -29.146 -22.651 1.00 58.32 ? 102 BCR T C9 1 ? ? +54790 HETATM C C10 . BCR EZ 30 . ? 37.156 -28.336 -22.721 1.00 57.62 ? 102 BCR T C10 1 ? ? +54791 HETATM C C11 . BCR EZ 30 . ? 37.006 -27.022 -22.363 1.00 57.59 ? 102 BCR T C11 1 ? ? +54792 HETATM C C33 . BCR EZ 30 . ? 41.930 -32.446 -22.874 1.00 58.70 ? 102 BCR T C33 1 ? ? +54793 HETATM C C31 . BCR EZ 30 . ? 37.158 -33.470 -22.864 1.00 60.74 ? 102 BCR T C31 1 ? ? +54794 HETATM C C32 . BCR EZ 30 . ? 37.717 -32.888 -25.227 1.00 60.18 ? 102 BCR T C32 1 ? ? +54795 HETATM C C34 . BCR EZ 30 . ? 39.556 -28.530 -22.102 1.00 59.26 ? 102 BCR T C34 1 ? ? +54796 HETATM C C12 . BCR EZ 30 . ? 35.850 -26.306 -22.562 1.00 57.57 ? 102 BCR T C12 1 ? ? +54797 HETATM C C13 . BCR EZ 30 . ? 35.619 -24.943 -22.350 1.00 56.85 ? 102 BCR T C13 1 ? ? +54798 HETATM C C14 . BCR EZ 30 . ? 34.372 -24.373 -22.658 1.00 54.68 ? 102 BCR T C14 1 ? ? +54799 HETATM C C15 . BCR EZ 30 . ? 34.000 -23.056 -22.648 1.00 54.27 ? 102 BCR T C15 1 ? ? +54800 HETATM C C16 . BCR EZ 30 . ? 32.754 -22.482 -22.792 1.00 53.81 ? 102 BCR T C16 1 ? ? +54801 HETATM C C17 . BCR EZ 30 . ? 32.409 -21.154 -22.851 1.00 53.37 ? 102 BCR T C17 1 ? ? +54802 HETATM C C18 . BCR EZ 30 . ? 31.138 -20.541 -23.025 1.00 52.85 ? 102 BCR T C18 1 ? ? +54803 HETATM C C19 . BCR EZ 30 . ? 31.082 -19.152 -23.249 1.00 52.40 ? 102 BCR T C19 1 ? ? +54804 HETATM C C20 . BCR EZ 30 . ? 30.029 -18.350 -23.547 1.00 51.81 ? 102 BCR T C20 1 ? ? +54805 HETATM C C21 . BCR EZ 30 . ? 30.106 -17.013 -23.856 1.00 51.50 ? 102 BCR T C21 1 ? ? +54806 HETATM C C22 . BCR EZ 30 . ? 29.066 -16.107 -24.177 1.00 51.04 ? 102 BCR T C22 1 ? ? +54807 HETATM C C23 . BCR EZ 30 . ? 29.426 -14.818 -24.576 1.00 50.99 ? 102 BCR T C23 1 ? ? +54808 HETATM C C24 . BCR EZ 30 . ? 28.636 -13.871 -25.147 1.00 50.46 ? 102 BCR T C24 1 ? ? +54809 HETATM C C25 . BCR EZ 30 . ? 29.022 -12.541 -25.550 1.00 50.20 ? 102 BCR T C25 1 ? ? +54810 HETATM C C26 . BCR EZ 30 . ? 29.994 -11.848 -24.912 1.00 50.06 ? 102 BCR T C26 1 ? ? +54811 HETATM C C27 . BCR EZ 30 . ? 30.582 -10.595 -25.486 1.00 50.12 ? 102 BCR T C27 1 ? ? +54812 HETATM C C28 . BCR EZ 30 . ? 30.254 -10.405 -26.954 1.00 50.21 ? 102 BCR T C28 1 ? ? +54813 HETATM C C29 . BCR EZ 30 . ? 28.781 -10.638 -27.179 1.00 49.94 ? 102 BCR T C29 1 ? ? +54814 HETATM C C30 . BCR EZ 30 . ? 28.336 -12.058 -26.819 1.00 49.99 ? 102 BCR T C30 1 ? ? +54815 HETATM C C35 . BCR EZ 30 . ? 36.724 -24.097 -21.764 1.00 56.26 ? 102 BCR T C35 1 ? ? +54816 HETATM C C36 . BCR EZ 30 . ? 29.878 -21.344 -22.936 1.00 51.71 ? 102 BCR T C36 1 ? ? +54817 HETATM C C37 . BCR EZ 30 . ? 27.645 -16.565 -24.019 1.00 50.09 ? 102 BCR T C37 1 ? ? +54818 HETATM C C38 . BCR EZ 30 . ? 30.585 -12.212 -23.578 1.00 49.83 ? 102 BCR T C38 1 ? ? +54819 HETATM C C39 . BCR EZ 30 . ? 28.712 -12.986 -27.986 1.00 49.93 ? 102 BCR T C39 1 ? ? +54820 HETATM C C40 . BCR EZ 30 . ? 26.798 -12.080 -26.675 1.00 49.88 ? 102 BCR T C40 1 ? ? +54821 HETATM MG MG . CLA FA 33 . ? 50.557 2.771 -18.359 1.00 55.31 ? 603 CLA b MG 1 ? ? +54822 HETATM C CHA . CLA FA 33 . ? 48.094 3.037 -20.753 1.00 53.92 ? 603 CLA b CHA 1 ? ? +54823 HETATM C CHB . CLA FA 33 . ? 49.176 5.495 -16.768 1.00 55.31 ? 603 CLA b CHB 1 ? ? +54824 HETATM C CHC . CLA FA 33 . ? 51.928 1.802 -15.234 1.00 56.30 ? 603 CLA b CHC 1 ? ? +54825 HETATM C CHD . CLA FA 33 . ? 50.969 -0.654 -19.329 1.00 54.81 ? 603 CLA b CHD 1 ? ? +54826 HETATM N NA . CLA FA 33 . ? 48.975 4.008 -18.669 1.00 54.67 ? 603 CLA b NA 1 ? ? +54827 HETATM C C1A . CLA FA 33 . ? 48.210 4.057 -19.699 1.00 54.20 ? 603 CLA b C1A 1 ? ? +54828 HETATM C C2A . CLA FA 33 . ? 47.381 5.299 -19.800 1.00 54.12 ? 603 CLA b C2A 1 ? ? +54829 HETATM C C3A . CLA FA 33 . ? 47.944 6.172 -18.730 1.00 54.63 ? 603 CLA b C3A 1 ? ? +54830 HETATM C C4A . CLA FA 33 . ? 48.740 5.147 -17.978 1.00 54.87 ? 603 CLA b C4A 1 ? ? +54831 HETATM C CMA . CLA FA 33 . ? 48.694 7.356 -19.317 1.00 55.26 ? 603 CLA b CMA 1 ? ? +54832 HETATM C CAA . CLA FA 33 . ? 45.906 5.047 -19.507 1.00 53.50 ? 603 CLA b CAA 1 ? ? +54833 HETATM C CBA . CLA FA 33 . ? 45.663 4.244 -18.232 1.00 53.49 ? 603 CLA b CBA 1 ? ? +54834 HETATM C CGA . CLA FA 33 . ? 45.564 5.109 -17.023 1.00 54.09 ? 603 CLA b CGA 1 ? ? +54835 HETATM O O1A . CLA FA 33 . ? 45.269 6.273 -17.098 1.00 54.23 ? 603 CLA b O1A 1 ? ? +54836 HETATM O O2A . CLA FA 33 . ? 45.836 4.556 -15.735 1.00 55.12 ? 603 CLA b O2A 1 ? ? +54837 HETATM N NB . CLA FA 33 . ? 50.518 3.474 -16.390 1.00 55.66 ? 603 CLA b NB 1 ? ? +54838 HETATM C C1B . CLA FA 33 . ? 50.016 4.658 -15.919 1.00 55.67 ? 603 CLA b C1B 1 ? ? +54839 HETATM C C2B . CLA FA 33 . ? 50.237 5.001 -14.477 1.00 56.06 ? 603 CLA b C2B 1 ? ? +54840 HETATM C C3B . CLA FA 33 . ? 51.042 3.851 -14.050 1.00 56.35 ? 603 CLA b C3B 1 ? ? +54841 HETATM C C4B . CLA FA 33 . ? 51.207 3.057 -15.292 1.00 56.10 ? 603 CLA b C4B 1 ? ? +54842 HETATM C CMB . CLA FA 33 . ? 49.754 6.185 -13.677 1.00 56.17 ? 603 CLA b CMB 1 ? ? +54843 HETATM C CAB . CLA FA 33 . ? 51.732 3.565 -12.750 1.00 56.91 ? 603 CLA b CAB 1 ? ? +54844 HETATM C CBB . CLA FA 33 . ? 52.062 4.515 -11.881 1.00 57.41 ? 603 CLA b CBB 1 ? ? +54845 HETATM N NC . CLA FA 33 . ? 51.202 0.993 -17.482 1.00 55.42 ? 603 CLA b NC 1 ? ? +54846 HETATM C C1C . CLA FA 33 . ? 51.826 0.788 -16.274 1.00 55.94 ? 603 CLA b C1C 1 ? ? +54847 HETATM C C2C . CLA FA 33 . ? 52.310 -0.585 -15.945 1.00 56.02 ? 603 CLA b C2C 1 ? ? +54848 HETATM C C3C . CLA FA 33 . ? 52.026 -1.301 -17.173 1.00 55.60 ? 603 CLA b C3C 1 ? ? +54849 HETATM C C4C . CLA FA 33 . ? 51.431 -0.239 -18.025 1.00 55.27 ? 603 CLA b C4C 1 ? ? +54850 HETATM C CMC . CLA FA 33 . ? 52.930 -1.137 -14.688 1.00 56.49 ? 603 CLA b CMC 1 ? ? +54851 HETATM C CAC . CLA FA 33 . ? 52.313 -2.750 -17.504 1.00 55.55 ? 603 CLA b CAC 1 ? ? +54852 HETATM C CBC . CLA FA 33 . ? 51.126 -3.620 -17.203 1.00 54.76 ? 603 CLA b CBC 1 ? ? +54853 HETATM N ND . CLA FA 33 . ? 49.564 1.418 -19.506 1.00 54.40 ? 603 CLA b ND 1 ? ? +54854 HETATM C C1D . CLA FA 33 . ? 50.081 0.181 -20.084 1.00 54.39 ? 603 CLA b C1D 1 ? ? +54855 HETATM C C2D . CLA FA 33 . ? 49.369 -0.245 -21.318 1.00 53.78 ? 603 CLA b C2D 1 ? ? +54856 HETATM C C3D . CLA FA 33 . ? 48.610 0.975 -21.592 1.00 53.67 ? 603 CLA b C3D 1 ? ? +54857 HETATM C C4D . CLA FA 33 . ? 48.870 1.843 -20.609 1.00 54.04 ? 603 CLA b C4D 1 ? ? +54858 HETATM C CMD . CLA FA 33 . ? 49.390 -1.446 -22.218 1.00 53.49 ? 603 CLA b CMD 1 ? ? +54859 HETATM C CAD . CLA FA 33 . ? 47.599 1.581 -22.521 1.00 53.31 ? 603 CLA b CAD 1 ? ? +54860 HETATM O OBD . CLA FA 33 . ? 47.092 1.094 -23.598 1.00 52.78 ? 603 CLA b OBD 1 ? ? +54861 HETATM C CBD . CLA FA 33 . ? 47.262 2.948 -22.010 1.00 53.55 ? 603 CLA b CBD 1 ? ? +54862 HETATM C CGD . CLA FA 33 . ? 47.582 3.935 -23.102 1.00 53.97 ? 603 CLA b CGD 1 ? ? +54863 HETATM O O1D . CLA FA 33 . ? 46.760 4.674 -23.621 1.00 53.72 ? 603 CLA b O1D 1 ? ? +54864 HETATM O O2D . CLA FA 33 . ? 48.909 4.013 -23.620 1.00 54.78 ? 603 CLA b O2D 1 ? ? +54865 HETATM C CED . CLA FA 33 . ? 49.105 4.693 -24.860 1.00 55.07 ? 603 CLA b CED 1 ? ? +54866 HETATM C C1 . CLA FA 33 . ? 46.007 5.407 -14.607 1.00 56.46 ? 603 CLA b C1 1 ? ? +54867 HETATM C C2 . CLA FA 33 . ? 46.632 4.614 -13.491 1.00 57.51 ? 603 CLA b C2 1 ? ? +54868 HETATM C C3 . CLA FA 33 . ? 46.710 5.038 -12.224 1.00 58.98 ? 603 CLA b C3 1 ? ? +54869 HETATM C C4 . CLA FA 33 . ? 46.191 6.379 -11.813 1.00 58.93 ? 603 CLA b C4 1 ? ? +54870 HETATM C C5 . CLA FA 33 . ? 47.383 4.101 -11.239 1.00 60.64 ? 603 CLA b C5 1 ? ? +54871 HETATM C C6 . CLA FA 33 . ? 47.684 4.716 -9.868 1.00 62.08 ? 603 CLA b C6 1 ? ? +54872 HETATM C C7 . CLA FA 33 . ? 48.791 3.874 -9.277 1.00 63.58 ? 603 CLA b C7 1 ? ? +54873 HETATM C C8 . CLA FA 33 . ? 49.309 4.162 -7.899 1.00 65.37 ? 603 CLA b C8 1 ? ? +54874 HETATM C C9 . CLA FA 33 . ? 50.799 4.124 -7.732 1.00 66.30 ? 603 CLA b C9 1 ? ? +54875 HETATM C C10 . CLA FA 33 . ? 48.402 4.059 -6.700 1.00 66.43 ? 603 CLA b C10 1 ? ? +54876 HETATM C C11 . CLA FA 33 . ? 48.400 5.411 -5.939 1.00 67.93 ? 603 CLA b C11 1 ? ? +54877 HETATM C C12 . CLA FA 33 . ? 47.410 5.406 -4.769 1.00 68.86 ? 603 CLA b C12 1 ? ? +54878 HETATM C C13 . CLA FA 33 . ? 47.823 6.364 -3.654 1.00 70.96 ? 603 CLA b C13 1 ? ? +54879 HETATM C C14 . CLA FA 33 . ? 47.122 5.963 -2.359 1.00 71.12 ? 603 CLA b C14 1 ? ? +54880 HETATM C C15 . CLA FA 33 . ? 47.496 7.805 -4.057 1.00 71.90 ? 603 CLA b C15 1 ? ? +54881 HETATM C C16 . CLA FA 33 . ? 47.649 8.847 -2.939 1.00 72.66 ? 603 CLA b C16 1 ? ? +54882 HETATM C C17 . CLA FA 33 . ? 49.076 8.851 -2.426 1.00 74.39 ? 603 CLA b C17 1 ? ? +54883 HETATM C C18 . CLA FA 33 . ? 49.491 10.201 -1.813 1.00 75.94 ? 603 CLA b C18 1 ? ? +54884 HETATM C C19 . CLA FA 33 . ? 48.618 11.462 -1.893 1.00 76.28 ? 603 CLA b C19 1 ? ? +54885 HETATM C C20 . CLA FA 33 . ? 50.694 10.394 -0.904 1.00 76.90 ? 603 CLA b C20 1 ? ? +54886 HETATM O O1 A LHG FB 39 . ? 22.811 -17.659 3.645 0.40 54.83 ? 629 LHG b O1 1 ? ? +54887 HETATM O O1 B LHG FB 39 . ? 22.910 -17.709 3.635 0.60 55.76 ? 629 LHG b O1 1 ? ? +54888 HETATM C C1 A LHG FB 39 . ? 22.005 -16.873 4.522 0.40 54.95 ? 629 LHG b C1 1 ? ? +54889 HETATM C C1 B LHG FB 39 . ? 22.100 -16.918 4.504 0.60 55.91 ? 629 LHG b C1 1 ? ? +54890 HETATM C C2 A LHG FB 39 . ? 21.967 -17.454 5.919 0.40 55.41 ? 629 LHG b C2 1 ? ? +54891 HETATM C C2 B LHG FB 39 . ? 22.052 -17.492 5.905 0.60 56.32 ? 629 LHG b C2 1 ? ? +54892 HETATM O O2 A LHG FB 39 . ? 21.217 -18.668 5.923 0.40 55.32 ? 629 LHG b O2 1 ? ? +54893 HETATM O O2 B LHG FB 39 . ? 21.260 -18.679 5.920 0.60 56.20 ? 629 LHG b O2 1 ? ? +54894 HETATM C C3 A LHG FB 39 . ? 21.374 -16.509 6.940 0.40 55.64 ? 629 LHG b C3 1 ? ? +54895 HETATM C C3 B LHG FB 39 . ? 21.504 -16.519 6.925 0.60 56.54 ? 629 LHG b C3 1 ? ? +54896 HETATM O O3 A LHG FB 39 . ? 22.380 -15.559 7.379 0.40 55.80 ? 629 LHG b O3 1 ? ? +54897 HETATM O O3 B LHG FB 39 . ? 22.498 -15.500 7.206 0.60 56.55 ? 629 LHG b O3 1 ? ? +54898 HETATM P P A LHG FB 39 . ? 21.941 -14.057 7.733 0.40 55.81 ? 629 LHG b P 1 ? ? +54899 HETATM P P B LHG FB 39 . ? 22.037 -14.056 7.733 0.60 56.63 ? 629 LHG b P 1 ? ? +54900 HETATM O O4 A LHG FB 39 . ? 20.717 -14.100 8.605 0.40 55.63 ? 629 LHG b O4 1 ? ? +54901 HETATM O O4 B LHG FB 39 . ? 20.799 -14.192 8.575 0.60 56.32 ? 629 LHG b O4 1 ? ? +54902 HETATM O O5 A LHG FB 39 . ? 23.154 -13.283 8.173 0.40 56.28 ? 629 LHG b O5 1 ? ? +54903 HETATM O O5 B LHG FB 39 . ? 23.238 -13.332 8.276 0.60 57.23 ? 629 LHG b O5 1 ? ? +54904 HETATM O O6 A LHG FB 39 . ? 21.523 -13.464 6.304 0.40 55.62 ? 629 LHG b O6 1 ? ? +54905 HETATM O O6 B LHG FB 39 . ? 21.669 -13.289 6.376 0.60 56.66 ? 629 LHG b O6 1 ? ? +54906 HETATM C C4 A LHG FB 39 . ? 20.182 -12.939 6.134 0.40 55.57 ? 629 LHG b C4 1 ? ? +54907 HETATM C C4 B LHG FB 39 . ? 20.283 -12.946 6.127 0.60 56.74 ? 629 LHG b C4 1 ? ? +54908 HETATM C C5 A LHG FB 39 . ? 20.004 -12.440 4.719 0.40 55.22 ? 629 LHG b C5 1 ? ? +54909 HETATM C C5 B LHG FB 39 . ? 20.144 -12.448 4.709 0.60 56.49 ? 629 LHG b C5 1 ? ? +54910 HETATM C C6 A LHG FB 39 . ? 18.552 -12.311 4.310 0.40 54.91 ? 629 LHG b C6 1 ? ? +54911 HETATM C C6 B LHG FB 39 . ? 18.698 -12.261 4.291 0.60 56.22 ? 629 LHG b C6 1 ? ? +54912 HETATM O O7 A LHG FB 39 . ? 20.662 -11.148 4.642 0.40 55.47 ? 629 LHG b O7 1 ? ? +54913 HETATM O O7 B LHG FB 39 . ? 20.881 -11.196 4.668 0.60 56.83 ? 629 LHG b O7 1 ? ? +54914 HETATM C C7 A LHG FB 39 . ? 21.600 -10.979 3.704 0.40 55.43 ? 629 LHG b C7 1 ? ? +54915 HETATM C C7 B LHG FB 39 . ? 21.623 -10.916 3.588 0.60 56.92 ? 629 LHG b C7 1 ? ? +54916 HETATM O O9 A LHG FB 39 . ? 21.928 -11.870 2.967 0.40 55.38 ? 629 LHG b O9 1 ? ? +54917 HETATM O O9 B LHG FB 39 . ? 21.796 -11.681 2.678 0.60 56.82 ? 629 LHG b O9 1 ? ? +54918 HETATM C C8 A LHG FB 39 . ? 22.147 -9.583 3.682 0.40 55.61 ? 629 LHG b C8 1 ? ? +54919 HETATM C C8 B LHG FB 39 . ? 22.159 -9.522 3.626 0.60 57.27 ? 629 LHG b C8 1 ? ? +54920 HETATM C C9 A LHG FB 39 . ? 21.573 -8.740 2.594 0.40 55.36 ? 629 LHG b C9 1 ? ? +54921 HETATM C C9 B LHG FB 39 . ? 21.557 -8.640 2.593 0.60 57.19 ? 629 LHG b C9 1 ? ? +54922 HETATM C C10 A LHG FB 39 . ? 20.199 -8.190 2.950 0.40 55.47 ? 629 LHG b C10 1 ? ? +54923 HETATM C C10 B LHG FB 39 . ? 20.106 -8.300 2.900 0.60 57.42 ? 629 LHG b C10 1 ? ? +54924 HETATM O O8 A LHG FB 39 . ? 18.472 -11.826 2.952 0.40 54.50 ? 629 LHG b O8 1 ? ? +54925 HETATM O O8 B LHG FB 39 . ? 18.614 -11.806 2.920 0.60 55.83 ? 629 LHG b O8 1 ? ? +54926 HETATM C C23 A LHG FB 39 . ? 18.989 -12.619 2.021 0.40 54.73 ? 629 LHG b C23 1 ? ? +54927 HETATM C C23 B LHG FB 39 . ? 18.920 -12.687 1.972 0.60 56.39 ? 629 LHG b C23 1 ? ? +54928 HETATM O O10 A LHG FB 39 . ? 19.570 -13.641 2.272 0.40 54.84 ? 629 LHG b O10 1 ? ? +54929 HETATM O O10 B LHG FB 39 . ? 19.347 -13.789 2.191 0.60 56.39 ? 629 LHG b O10 1 ? ? +54930 HETATM C C24 A LHG FB 39 . ? 18.741 -12.099 0.637 0.40 54.74 ? 629 LHG b C24 1 ? ? +54931 HETATM C C24 B LHG FB 39 . ? 18.671 -12.153 0.596 0.60 56.80 ? 629 LHG b C24 1 ? ? +54932 HETATM C C11 A LHG FB 39 . ? 19.384 -7.754 1.765 0.40 55.10 ? 629 LHG b C11 1 ? ? +54933 HETATM C C11 B LHG FB 39 . ? 19.326 -7.791 1.723 0.60 57.17 ? 629 LHG b C11 1 ? ? +54934 HETATM C C12 A LHG FB 39 . ? 17.952 -8.197 1.824 0.40 55.20 ? 629 LHG b C12 1 ? ? +54935 HETATM C C12 B LHG FB 39 . ? 17.874 -8.164 1.761 0.60 57.60 ? 629 LHG b C12 1 ? ? +54936 HETATM C C13 A LHG FB 39 . ? 16.983 -7.222 1.218 0.40 55.11 ? 629 LHG b C13 1 ? ? +54937 HETATM C C13 B LHG FB 39 . ? 16.962 -7.148 1.139 0.60 57.81 ? 629 LHG b C13 1 ? ? +54938 HETATM C C14 A LHG FB 39 . ? 15.558 -7.699 1.213 0.40 55.02 ? 629 LHG b C14 1 ? ? +54939 HETATM C C14 B LHG FB 39 . ? 15.568 -7.655 0.892 0.60 57.81 ? 629 LHG b C14 1 ? ? +54940 HETATM C C15 A LHG FB 39 . ? 14.557 -6.590 1.310 0.40 55.17 ? 629 LHG b C15 1 ? ? +54941 HETATM C C15 B LHG FB 39 . ? 14.494 -6.700 1.307 0.60 58.34 ? 629 LHG b C15 1 ? ? +54942 HETATM C C16 A LHG FB 39 . ? 13.397 -6.731 0.365 0.40 55.10 ? 629 LHG b C16 1 ? ? +54943 HETATM C C16 B LHG FB 39 . ? 13.260 -6.758 0.448 0.60 58.76 ? 629 LHG b C16 1 ? ? +54944 HETATM C C17 A LHG FB 39 . ? 13.387 -5.714 -0.748 0.40 55.00 ? 629 LHG b C17 1 ? ? +54945 HETATM C C17 B LHG FB 39 . ? 13.265 -5.758 -0.681 0.60 58.98 ? 629 LHG b C17 1 ? ? +54946 HETATM C C18 A LHG FB 39 . ? 12.196 -5.820 -1.659 0.40 54.75 ? 629 LHG b C18 1 ? ? +54947 HETATM C C18 B LHG FB 39 . ? 12.079 -5.866 -1.594 0.60 58.85 ? 629 LHG b C18 1 ? ? +54948 HETATM C C19 A LHG FB 39 . ? 11.026 -4.981 -1.231 0.40 54.98 ? 629 LHG b C19 1 ? ? +54949 HETATM C C19 B LHG FB 39 . ? 10.926 -4.992 -1.195 0.60 59.24 ? 629 LHG b C19 1 ? ? +54950 HETATM C C20 A LHG FB 39 . ? 11.111 -3.548 -1.683 0.40 54.97 ? 629 LHG b C20 1 ? ? +54951 HETATM C C20 B LHG FB 39 . ? 11.099 -3.548 -1.579 0.60 59.26 ? 629 LHG b C20 1 ? ? +54952 HETATM C C21 A LHG FB 39 . ? 9.873 -2.748 -1.389 0.40 55.11 ? 629 LHG b C21 1 ? ? +54953 HETATM C C21 B LHG FB 39 . ? 9.817 -2.768 -1.543 0.60 59.38 ? 629 LHG b C21 1 ? ? +54954 HETATM C C22 A LHG FB 39 . ? 10.005 -1.294 -1.765 0.40 55.20 ? 629 LHG b C22 1 ? ? +54955 HETATM C C22 B LHG FB 39 . ? 9.982 -1.342 -2.002 0.60 59.48 ? 629 LHG b C22 1 ? ? +54956 HETATM C C25 A LHG FB 39 . ? 19.787 -12.536 -0.339 0.40 55.05 ? 629 LHG b C25 1 ? ? +54957 HETATM C C25 B LHG FB 39 . ? 19.762 -12.516 -0.358 0.60 57.53 ? 629 LHG b C25 1 ? ? +54958 HETATM C C26 A LHG FB 39 . ? 19.450 -12.180 -1.774 0.40 54.99 ? 629 LHG b C26 1 ? ? +54959 HETATM C C26 B LHG FB 39 . ? 19.475 -12.103 -1.787 0.60 57.82 ? 629 LHG b C26 1 ? ? +54960 HETATM C C27 A LHG FB 39 . ? 20.662 -11.962 -2.641 0.40 55.53 ? 629 LHG b C27 1 ? ? +54961 HETATM C C27 B LHG FB 39 . ? 20.714 -11.992 -2.635 0.60 58.94 ? 629 LHG b C27 1 ? ? +54962 HETATM C C28 A LHG FB 39 . ? 20.478 -12.363 -4.077 0.40 55.79 ? 629 LHG b C28 1 ? ? +54963 HETATM C C28 B LHG FB 39 . ? 20.514 -12.358 -4.076 0.60 59.86 ? 629 LHG b C28 1 ? ? +54964 HETATM C C29 A LHG FB 39 . ? 21.709 -12.194 -4.932 0.40 56.48 ? 629 LHG b C29 1 ? ? +54965 HETATM C C29 B LHG FB 39 . ? 21.745 -12.196 -4.936 0.60 61.28 ? 629 LHG b C29 1 ? ? +54966 HETATM C C30 A LHG FB 39 . ? 22.004 -13.381 -5.817 0.40 57.11 ? 629 LHG b C30 1 ? ? +54967 HETATM C C30 B LHG FB 39 . ? 22.024 -13.374 -5.844 0.60 62.74 ? 629 LHG b C30 1 ? ? +54968 HETATM C C31 A LHG FB 39 . ? 22.866 -13.076 -7.020 0.40 57.70 ? 629 LHG b C31 1 ? ? +54969 HETATM C C31 B LHG FB 39 . ? 22.823 -13.043 -7.084 0.60 64.12 ? 629 LHG b C31 1 ? ? +54970 HETATM C C32 A LHG FB 39 . ? 23.053 -14.248 -7.950 0.40 58.11 ? 629 LHG b C32 1 ? ? +54971 HETATM C C32 B LHG FB 39 . ? 22.975 -14.194 -8.045 0.60 65.12 ? 629 LHG b C32 1 ? ? +54972 HETATM C C33 A LHG FB 39 . ? 23.373 -13.871 -9.375 0.40 58.79 ? 629 LHG b C33 1 ? ? +54973 HETATM C C33 B LHG FB 39 . ? 23.502 -13.806 -9.407 0.60 67.00 ? 629 LHG b C33 1 ? ? +54974 HETATM C C34 A LHG FB 39 . ? 24.437 -14.736 -10.011 0.40 59.80 ? 629 LHG b C34 1 ? ? +54975 HETATM C C34 B LHG FB 39 . ? 24.398 -14.848 -10.038 0.60 69.10 ? 629 LHG b C34 1 ? ? +54976 HETATM C C35 A LHG FB 39 . ? 24.449 -14.709 -11.518 0.40 60.20 ? 629 LHG b C35 1 ? ? +54977 HETATM C C35 B LHG FB 39 . ? 24.480 -14.785 -11.544 0.60 70.28 ? 629 LHG b C35 1 ? ? +54978 HETATM C C36 A LHG FB 39 . ? 25.283 -13.597 -12.103 0.40 61.24 ? 629 LHG b C36 1 ? ? +54979 HETATM C C36 B LHG FB 39 . ? 25.347 -13.666 -12.072 0.60 72.46 ? 629 LHG b C36 1 ? ? +54980 HETATM C C37 A LHG FB 39 . ? 26.173 -13.999 -13.257 0.40 61.68 ? 629 LHG b C37 1 ? ? +54981 HETATM C C37 B LHG FB 39 . ? 26.176 -14.013 -13.291 0.60 73.27 ? 629 LHG b C37 1 ? ? +54982 HETATM C C38 A LHG FB 39 . ? 26.522 -12.840 -14.166 0.40 61.95 ? 629 LHG b C38 1 ? ? +54983 HETATM C C38 B LHG FB 39 . ? 26.533 -12.804 -14.131 0.60 73.85 ? 629 LHG b C38 1 ? ? +54984 HETATM C C1 A GOL FC 38 . ? -4.990 35.491 -8.439 0.40 79.71 ? 526 GOL c C1 1 ? ? +54985 HETATM C C1 B GOL FC 38 . ? -4.920 35.580 -8.504 0.60 61.14 ? 526 GOL c C1 1 ? ? +54986 HETATM O O1 A GOL FC 38 . ? -3.700 36.043 -8.692 0.40 80.56 ? 526 GOL c O1 1 ? ? +54987 HETATM O O1 B GOL FC 38 . ? -3.617 36.145 -8.630 0.60 61.45 ? 526 GOL c O1 1 ? ? +54988 HETATM C C2 A GOL FC 38 . ? -5.906 36.498 -7.779 0.40 79.93 ? 526 GOL c C2 1 ? ? +54989 HETATM C C2 B GOL FC 38 . ? -5.864 36.523 -7.792 0.60 61.65 ? 526 GOL c C2 1 ? ? +54990 HETATM O O2 A GOL FC 38 . ? -6.076 37.630 -8.631 0.40 80.49 ? 526 GOL c O2 1 ? ? +54991 HETATM O O2 B GOL FC 38 . ? -6.027 37.718 -8.553 0.60 62.14 ? 526 GOL c O2 1 ? ? +54992 HETATM C C3 A GOL FC 38 . ? -7.261 35.931 -7.418 0.40 79.45 ? 526 GOL c C3 1 ? ? +54993 HETATM C C3 B GOL FC 38 . ? -7.224 35.924 -7.515 0.60 61.53 ? 526 GOL c C3 1 ? ? +54994 HETATM O O3 A GOL FC 38 . ? -7.989 36.831 -6.588 0.40 79.79 ? 526 GOL c O3 1 ? ? +54995 HETATM O O3 B GOL FC 38 . ? -7.902 36.663 -6.504 0.60 61.99 ? 526 GOL c O3 1 ? ? +54996 HETATM C C1 . BCR FD 30 . ? -8.941 49.159 28.030 1.00 77.02 ? 101 BCR k C1 1 ? ? +54997 HETATM C C2 . BCR FD 30 . ? -9.604 50.026 26.953 1.00 77.11 ? 101 BCR k C2 1 ? ? +54998 HETATM C C3 . BCR FD 30 . ? -11.034 49.681 26.690 1.00 77.06 ? 101 BCR k C3 1 ? ? +54999 HETATM C C4 . BCR FD 30 . ? -11.858 49.775 27.963 1.00 77.72 ? 101 BCR k C4 1 ? ? +55000 HETATM C C5 . BCR FD 30 . ? -11.231 49.050 29.115 1.00 77.75 ? 101 BCR k C5 1 ? ? +55001 HETATM C C6 . BCR FD 30 . ? -9.922 48.703 29.103 1.00 77.44 ? 101 BCR k C6 1 ? ? +55002 HETATM C C7 . BCR FD 30 . ? -9.303 47.963 30.171 1.00 77.51 ? 101 BCR k C7 1 ? ? +55003 HETATM C C8 . BCR FD 30 . ? -9.817 46.918 30.870 1.00 77.53 ? 101 BCR k C8 1 ? ? +55004 HETATM C C9 . BCR FD 30 . ? -9.127 46.240 31.872 1.00 77.61 ? 101 BCR k C9 1 ? ? +55005 HETATM C C10 . BCR FD 30 . ? -9.355 44.873 32.044 1.00 76.97 ? 101 BCR k C10 1 ? ? +55006 HETATM C C11 . BCR FD 30 . ? -8.630 43.971 32.788 1.00 76.65 ? 101 BCR k C11 1 ? ? +55007 HETATM C C33 . BCR FD 30 . ? -12.201 48.796 30.237 1.00 78.37 ? 101 BCR k C33 1 ? ? +55008 HETATM C C31 . BCR FD 30 . ? -7.782 49.965 28.642 1.00 77.49 ? 101 BCR k C31 1 ? ? +55009 HETATM C C32 . BCR FD 30 . ? -8.329 47.929 27.341 1.00 76.06 ? 101 BCR k C32 1 ? ? +55010 HETATM C C34 . BCR FD 30 . ? -8.174 46.911 32.810 1.00 78.30 ? 101 BCR k C34 1 ? ? +55011 HETATM C C12 . BCR FD 30 . ? -8.726 42.601 32.711 1.00 75.80 ? 101 BCR k C12 1 ? ? +55012 HETATM C C13 . BCR FD 30 . ? -7.988 41.632 33.387 1.00 75.27 ? 101 BCR k C13 1 ? ? +55013 HETATM C C14 . BCR FD 30 . ? -8.100 40.273 33.069 1.00 74.38 ? 101 BCR k C14 1 ? ? +55014 HETATM C C15 . BCR FD 30 . ? -7.476 39.193 33.639 1.00 73.91 ? 101 BCR k C15 1 ? ? +55015 HETATM C C16 . BCR FD 30 . ? -7.521 37.862 33.298 1.00 73.09 ? 101 BCR k C16 1 ? ? +55016 HETATM C C17 . BCR FD 30 . ? -6.899 36.813 33.927 1.00 72.75 ? 101 BCR k C17 1 ? ? +55017 HETATM C C18 . BCR FD 30 . ? -6.799 35.473 33.554 1.00 71.86 ? 101 BCR k C18 1 ? ? +55018 HETATM C C19 . BCR FD 30 . ? -6.075 34.554 34.320 1.00 71.63 ? 101 BCR k C19 1 ? ? +55019 HETATM C C20 . BCR FD 30 . ? -5.720 33.268 34.009 1.00 70.85 ? 101 BCR k C20 1 ? ? +55020 HETATM C C21 . BCR FD 30 . ? -4.910 32.433 34.738 1.00 70.65 ? 101 BCR k C21 1 ? ? +55021 HETATM C C22 . BCR FD 30 . ? -4.313 31.233 34.337 1.00 69.84 ? 101 BCR k C22 1 ? ? +55022 HETATM C C23 . BCR FD 30 . ? -3.492 30.511 35.184 1.00 69.88 ? 101 BCR k C23 1 ? ? +55023 HETATM C C24 . BCR FD 30 . ? -2.627 29.551 34.792 1.00 69.24 ? 101 BCR k C24 1 ? ? +55024 HETATM C C25 . BCR FD 30 . ? -1.763 28.751 35.619 1.00 69.34 ? 101 BCR k C25 1 ? ? +55025 HETATM C C26 . BCR FD 30 . ? -2.108 28.296 36.841 1.00 69.83 ? 101 BCR k C26 1 ? ? +55026 HETATM C C27 . BCR FD 30 . ? -1.109 27.570 37.696 1.00 70.10 ? 101 BCR k C27 1 ? ? +55027 HETATM C C28 . BCR FD 30 . ? 0.345 27.900 37.370 1.00 69.87 ? 101 BCR k C28 1 ? ? +55028 HETATM C C29 . BCR FD 30 . ? 0.603 27.802 35.919 1.00 69.04 ? 101 BCR k C29 1 ? ? +55029 HETATM C C30 . BCR FD 30 . ? -0.352 28.642 35.064 1.00 68.94 ? 101 BCR k C30 1 ? ? +55030 HETATM C C35 . BCR FD 30 . ? -7.055 42.060 34.463 1.00 75.79 ? 101 BCR k C35 1 ? ? +55031 HETATM C C36 . BCR FD 30 . ? -7.458 35.019 32.311 1.00 71.14 ? 101 BCR k C36 1 ? ? +55032 HETATM C C37 . BCR FD 30 . ? -4.618 30.731 32.975 1.00 68.99 ? 101 BCR k C37 1 ? ? +55033 HETATM C C38 . BCR FD 30 . ? -3.465 28.416 37.482 1.00 70.32 ? 101 BCR k C38 1 ? ? +55034 HETATM C C39 . BCR FD 30 . ? -0.397 28.018 33.660 1.00 68.14 ? 101 BCR k C39 1 ? ? +55035 HETATM C C40 . BCR FD 30 . ? 0.256 30.049 34.944 1.00 69.24 ? 101 BCR k C40 1 ? ? +55036 HETATM MG MG A CLA FE 33 . ? 20.508 -46.432 -46.797 0.40 44.80 ? 404 CLA A MG 1 ? ? +55037 HETATM MG MG B CLA FE 33 . ? 20.484 -46.269 -46.715 0.60 43.73 ? 404 CLA A MG 1 ? ? +55038 HETATM C CHA A CLA FE 33 . ? 23.744 -45.531 -45.887 0.40 44.80 ? 404 CLA A CHA 1 ? ? +55039 HETATM C CHA B CLA FE 33 . ? 23.777 -45.566 -45.909 0.60 43.84 ? 404 CLA A CHA 1 ? ? +55040 HETATM C CHB A CLA FE 33 . ? 20.099 -47.664 -43.608 0.40 44.87 ? 404 CLA A CHB 1 ? ? +55041 HETATM C CHB B CLA FE 33 . ? 20.070 -47.577 -43.567 0.60 43.83 ? 404 CLA A CHB 1 ? ? +55042 HETATM C CHC A CLA FE 33 . ? 17.041 -45.642 -46.775 0.40 44.49 ? 404 CLA A CHC 1 ? ? +55043 HETATM C CHC B CLA FE 33 . ? 17.042 -45.594 -46.782 0.60 43.45 ? 404 CLA A CHC 1 ? ? +55044 HETATM C CHD A CLA FE 33 . ? 20.716 -43.977 -49.492 0.40 44.55 ? 404 CLA A CHD 1 ? ? +55045 HETATM C CHD B CLA FE 33 . ? 20.738 -43.831 -49.430 0.60 43.50 ? 404 CLA A CHD 1 ? ? +55046 HETATM N NA A CLA FE 33 . ? 21.639 -46.561 -45.117 0.40 44.85 ? 404 CLA A NA 1 ? ? +55047 HETATM N NA B CLA FE 33 . ? 21.643 -46.495 -45.072 0.60 43.84 ? 404 CLA A NA 1 ? ? +55048 HETATM C C1A A CLA FE 33 . ? 22.899 -46.232 -44.931 0.40 44.85 ? 404 CLA A C1A 1 ? ? +55049 HETATM C C1A B CLA FE 33 . ? 22.934 -46.240 -44.929 0.60 43.87 ? 404 CLA A C1A 1 ? ? +55050 HETATM C C2A A CLA FE 33 . ? 23.540 -46.751 -43.686 0.40 44.98 ? 404 CLA A C2A 1 ? ? +55051 HETATM C C2A B CLA FE 33 . ? 23.567 -46.804 -43.704 0.60 44.02 ? 404 CLA A C2A 1 ? ? +55052 HETATM C C3A A CLA FE 33 . ? 22.466 -47.663 -43.167 0.40 45.05 ? 404 CLA A C3A 1 ? ? +55053 HETATM C C3A B CLA FE 33 . ? 22.463 -47.673 -43.170 0.60 44.07 ? 404 CLA A C3A 1 ? ? +55054 HETATM C C4A A CLA FE 33 . ? 21.294 -47.268 -44.014 0.40 44.91 ? 404 CLA A C4A 1 ? ? +55055 HETATM C C4A B CLA FE 33 . ? 21.281 -47.213 -43.977 0.60 43.90 ? 404 CLA A C4A 1 ? ? +55056 HETATM C CMA A CLA FE 33 . ? 22.757 -49.140 -43.377 0.40 45.42 ? 404 CLA A CMA 1 ? ? +55057 HETATM C CMA B CLA FE 33 . ? 22.714 -49.159 -43.367 0.60 44.44 ? 404 CLA A CMA 1 ? ? +55058 HETATM C CAA A CLA FE 33 . ? 23.864 -45.593 -42.758 0.40 44.77 ? 404 CLA A CAA 1 ? ? +55059 HETATM C CAA B CLA FE 33 . ? 23.926 -45.691 -42.740 0.60 43.85 ? 404 CLA A CAA 1 ? ? +55060 HETATM C CBA A CLA FE 33 . ? 24.468 -46.026 -41.426 0.40 44.97 ? 404 CLA A CBA 1 ? ? +55061 HETATM C CBA B CLA FE 33 . ? 24.606 -46.215 -41.477 0.60 44.09 ? 404 CLA A CBA 1 ? ? +55062 HETATM C CGA A CLA FE 33 . ? 25.983 -45.895 -41.455 0.40 45.23 ? 404 CLA A CGA 1 ? ? +55063 HETATM C CGA B CLA FE 33 . ? 26.108 -46.366 -41.673 0.60 44.43 ? 404 CLA A CGA 1 ? ? +55064 HETATM O O1A A CLA FE 33 . ? 26.543 -45.050 -42.137 0.40 45.13 ? 404 CLA A O1A 1 ? ? +55065 HETATM O O1A B CLA FE 33 . ? 26.678 -46.136 -42.735 0.60 44.48 ? 404 CLA A O1A 1 ? ? +55066 HETATM O O2A A CLA FE 33 . ? 26.829 -46.771 -40.672 0.40 45.65 ? 404 CLA A O2A 1 ? ? +55067 HETATM O O2A B CLA FE 33 . ? 26.930 -46.790 -40.566 0.60 44.74 ? 404 CLA A O2A 1 ? ? +55068 HETATM N NB A CLA FE 33 . ? 18.915 -46.584 -45.463 0.40 44.66 ? 404 CLA A NB 1 ? ? +55069 HETATM N NB B CLA FE 33 . ? 18.879 -46.488 -45.413 0.60 43.62 ? 404 CLA A NB 1 ? ? +55070 HETATM C C1B A CLA FE 33 . ? 18.884 -47.208 -44.254 0.40 44.73 ? 404 CLA A C1B 1 ? ? +55071 HETATM C C1B B CLA FE 33 . ? 18.849 -47.143 -44.228 0.60 43.70 ? 404 CLA A C1B 1 ? ? +55072 HETATM C C2B A CLA FE 33 . ? 17.601 -47.268 -43.507 0.40 44.68 ? 404 CLA A C2B 1 ? ? +55073 HETATM C C2B B CLA FE 33 . ? 17.550 -47.274 -43.521 0.60 43.65 ? 404 CLA A C2B 1 ? ? +55074 HETATM C C3B A CLA FE 33 . ? 16.725 -46.659 -44.489 0.40 44.58 ? 404 CLA A C3B 1 ? ? +55075 HETATM C C3B B CLA FE 33 . ? 16.662 -46.668 -44.502 0.60 43.56 ? 404 CLA A C3B 1 ? ? +55076 HETATM C C4B A CLA FE 33 . ? 17.601 -46.319 -45.624 0.40 44.57 ? 404 CLA A C4B 1 ? ? +55077 HETATM C C4B B CLA FE 33 . ? 17.564 -46.276 -45.610 0.60 43.53 ? 404 CLA A C4B 1 ? ? +55078 HETATM C CMB A CLA FE 33 . ? 17.288 -47.850 -42.149 0.40 44.78 ? 404 CLA A CMB 1 ? ? +55079 HETATM C CMB B CLA FE 33 . ? 17.287 -47.911 -42.178 0.60 43.77 ? 404 CLA A CMB 1 ? ? +55080 HETATM C CAB A CLA FE 33 . ? 15.276 -46.387 -44.358 0.40 44.58 ? 404 CLA A CAB 1 ? ? +55081 HETATM C CAB B CLA FE 33 . ? 15.183 -46.464 -44.454 0.60 43.57 ? 404 CLA A CAB 1 ? ? +55082 HETATM C CBB A CLA FE 33 . ? 14.704 -46.588 -43.183 0.40 44.61 ? 404 CLA A CBB 1 ? ? +55083 HETATM C CBB B CLA FE 33 . ? 14.437 -46.787 -43.407 0.60 43.61 ? 404 CLA A CBB 1 ? ? +55084 HETATM N NC A CLA FE 33 . ? 19.226 -45.116 -47.831 0.40 44.56 ? 404 CLA A NC 1 ? ? +55085 HETATM N NC B CLA FE 33 . ? 19.229 -44.980 -47.794 0.60 43.49 ? 404 CLA A NC 1 ? ? +55086 HETATM C C1C A CLA FE 33 . ? 17.865 -44.996 -47.778 0.40 44.46 ? 404 CLA A C1C 1 ? ? +55087 HETATM C C1C B CLA FE 33 . ? 17.866 -44.918 -47.773 0.60 43.41 ? 404 CLA A C1C 1 ? ? +55088 HETATM C C2C A CLA FE 33 . ? 17.185 -44.050 -48.697 0.40 44.32 ? 404 CLA A C2C 1 ? ? +55089 HETATM C C2C B CLA FE 33 . ? 17.186 -44.009 -48.719 0.60 43.29 ? 404 CLA A C2C 1 ? ? +55090 HETATM C C3C A CLA FE 33 . ? 18.276 -43.561 -49.505 0.40 44.33 ? 404 CLA A C3C 1 ? ? +55091 HETATM C C3C B CLA FE 33 . ? 18.267 -43.485 -49.504 0.60 43.28 ? 404 CLA A C3C 1 ? ? +55092 HETATM C C4C A CLA FE 33 . ? 19.418 -44.317 -48.940 0.40 44.50 ? 404 CLA A C4C 1 ? ? +55093 HETATM C C4C B CLA FE 33 . ? 19.428 -44.189 -48.909 0.60 43.43 ? 404 CLA A C4C 1 ? ? +55094 HETATM C CMC A CLA FE 33 . ? 15.725 -43.705 -48.804 0.40 44.27 ? 404 CLA A CMC 1 ? ? +55095 HETATM C CMC B CLA FE 33 . ? 15.722 -43.716 -48.871 0.60 43.25 ? 404 CLA A CMC 1 ? ? +55096 HETATM C CAC A CLA FE 33 . ? 18.274 -42.617 -50.686 0.40 44.33 ? 404 CLA A CAC 1 ? ? +55097 HETATM C CAC B CLA FE 33 . ? 18.207 -42.551 -50.690 0.60 43.25 ? 404 CLA A CAC 1 ? ? +55098 HETATM C CBC A CLA FE 33 . ? 17.738 -41.232 -50.439 0.40 44.07 ? 404 CLA A CBC 1 ? ? +55099 HETATM C CBC B CLA FE 33 . ? 17.817 -41.130 -50.390 0.60 42.99 ? 404 CLA A CBC 1 ? ? +55100 HETATM N ND A CLA FE 33 . ? 21.725 -44.876 -47.336 0.40 44.65 ? 404 CLA A ND 1 ? ? +55101 HETATM N ND B CLA FE 33 . ? 21.758 -44.790 -47.306 0.60 43.63 ? 404 CLA A ND 1 ? ? +55102 HETATM C C1D A CLA FE 33 . ? 21.874 -44.281 -48.690 0.40 44.63 ? 404 CLA A C1D 1 ? ? +55103 HETATM C C1D B CLA FE 33 . ? 21.895 -44.189 -48.658 0.60 43.60 ? 404 CLA A C1D 1 ? ? +55104 HETATM C C2D A CLA FE 33 . ? 23.275 -43.855 -48.994 0.40 44.68 ? 404 CLA A C2D 1 ? ? +55105 HETATM C C2D B CLA FE 33 . ? 23.302 -43.817 -48.981 0.60 43.66 ? 404 CLA A C2D 1 ? ? +55106 HETATM C C3D A CLA FE 33 . ? 23.965 -44.395 -47.829 0.40 44.73 ? 404 CLA A C3D 1 ? ? +55107 HETATM C C3D B CLA FE 33 . ? 23.989 -44.399 -47.844 0.60 43.75 ? 404 CLA A C3D 1 ? ? +55108 HETATM C C4D A CLA FE 33 . ? 23.087 -45.030 -47.054 0.40 44.72 ? 404 CLA A C4D 1 ? ? +55109 HETATM C C4D B CLA FE 33 . ? 23.118 -45.017 -47.055 0.60 43.73 ? 404 CLA A C4D 1 ? ? +55110 HETATM C CMD A CLA FE 33 . ? 23.993 -43.124 -50.088 0.40 44.76 ? 404 CLA A CMD 1 ? ? +55111 HETATM C CMD B CLA FE 33 . ? 24.026 -43.102 -50.074 0.60 43.74 ? 404 CLA A CMD 1 ? ? +55112 HETATM C CAD A CLA FE 33 . ? 25.322 -44.534 -47.258 0.40 44.92 ? 404 CLA A CAD 1 ? ? +55113 HETATM C CAD B CLA FE 33 . ? 25.349 -44.584 -47.312 0.60 43.96 ? 404 CLA A CAD 1 ? ? +55114 HETATM O OBD A CLA FE 33 . ? 26.390 -44.068 -47.783 0.40 44.99 ? 404 CLA A OBD 1 ? ? +55115 HETATM O OBD B CLA FE 33 . ? 26.407 -44.145 -47.868 0.60 44.02 ? 404 CLA A OBD 1 ? ? +55116 HETATM C CBD A CLA FE 33 . ? 25.221 -45.279 -45.952 0.40 44.98 ? 404 CLA A CBD 1 ? ? +55117 HETATM C CBD B CLA FE 33 . ? 25.260 -45.359 -46.022 0.60 44.03 ? 404 CLA A CBD 1 ? ? +55118 HETATM C CGD A CLA FE 33 . ? 26.129 -46.482 -45.935 0.40 45.33 ? 404 CLA A CGD 1 ? ? +55119 HETATM C CGD B CLA FE 33 . ? 26.149 -46.567 -46.109 0.60 44.39 ? 404 CLA A CGD 1 ? ? +55120 HETATM O O1D A CLA FE 33 . ? 25.761 -47.639 -46.067 0.40 45.56 ? 404 CLA A O1D 1 ? ? +55121 HETATM O O1D B CLA FE 33 . ? 25.852 -47.651 -46.598 0.60 44.63 ? 404 CLA A O1D 1 ? ? +55122 HETATM O O2D A CLA FE 33 . ? 27.532 -46.255 -45.748 0.40 45.46 ? 404 CLA A O2D 1 ? ? +55123 HETATM O O2D B CLA FE 33 . ? 27.454 -46.386 -45.572 0.60 44.48 ? 404 CLA A O2D 1 ? ? +55124 HETATM C CED A CLA FE 33 . ? 28.403 -47.375 -45.758 0.40 45.88 ? 404 CLA A CED 1 ? ? +55125 HETATM C CED B CLA FE 33 . ? 28.395 -47.422 -45.737 0.60 44.88 ? 404 CLA A CED 1 ? ? +55126 HETATM C C1 A CLA FE 33 . ? 28.242 -46.659 -40.848 0.40 45.96 ? 404 CLA A C1 1 ? ? +55127 HETATM C C1 B CLA FE 33 . ? 28.350 -46.752 -40.709 0.60 45.07 ? 404 CLA A C1 1 ? ? +55128 HETATM C C2 A CLA FE 33 . ? 28.861 -45.816 -39.752 0.40 45.93 ? 404 CLA A C2 1 ? ? +55129 HETATM C C2 B CLA FE 33 . ? 28.959 -45.816 -39.687 0.60 45.03 ? 404 CLA A C2 1 ? ? +55130 HETATM C C3 A CLA FE 33 . ? 29.358 -44.598 -39.999 0.40 45.84 ? 404 CLA A C3 1 ? ? +55131 HETATM C C3 B CLA FE 33 . ? 29.363 -44.568 -39.961 0.60 44.92 ? 404 CLA A C3 1 ? ? +55132 HETATM C C4 A CLA FE 33 . ? 29.304 -44.028 -41.372 0.40 45.69 ? 404 CLA A C4 1 ? ? +55133 HETATM C C4 B CLA FE 33 . ? 29.255 -43.974 -41.315 0.60 44.76 ? 404 CLA A C4 1 ? ? +55134 HETATM C C5 A CLA FE 33 . ? 29.954 -43.797 -38.871 0.40 45.97 ? 404 CLA A C5 1 ? ? +55135 HETATM C C5 B CLA FE 33 . ? 29.942 -43.736 -38.852 0.60 45.09 ? 404 CLA A C5 1 ? ? +55136 HETATM C C6 A CLA FE 33 . ? 31.486 -43.639 -38.964 0.40 46.38 ? 404 CLA A C6 1 ? ? +55137 HETATM C C6 B CLA FE 33 . ? 31.484 -43.623 -38.938 0.60 45.55 ? 404 CLA A C6 1 ? ? +55138 HETATM C C7 A CLA FE 33 . ? 31.911 -43.010 -37.643 0.40 46.50 ? 404 CLA A C7 1 ? ? +55139 HETATM C C7 B CLA FE 33 . ? 31.944 -43.061 -37.604 0.60 45.73 ? 404 CLA A C7 1 ? ? +55140 HETATM C C8 A CLA FE 33 . ? 33.412 -42.908 -37.351 0.40 47.01 ? 404 CLA A C8 1 ? ? +55141 HETATM C C8 B CLA FE 33 . ? 33.453 -42.904 -37.361 0.60 46.30 ? 404 CLA A C8 1 ? ? +55142 HETATM C C9 A CLA FE 33 . ? 34.453 -43.744 -38.091 0.40 47.45 ? 404 CLA A C9 1 ? ? +55143 HETATM C C9 B CLA FE 33 . ? 34.515 -43.702 -38.122 0.60 46.74 ? 404 CLA A C9 1 ? ? +55144 HETATM C C10 A CLA FE 33 . ? 33.943 -41.810 -36.438 0.40 47.10 ? 404 CLA A C10 1 ? ? +55145 HETATM C C10 B CLA FE 33 . ? 33.968 -41.789 -36.462 0.60 46.43 ? 404 CLA A C10 1 ? ? +55146 HETATM C C11 A CLA FE 33 . ? 33.122 -40.525 -36.358 0.40 46.84 ? 404 CLA A C11 1 ? ? +55147 HETATM C C11 B CLA FE 33 . ? 33.050 -40.590 -36.256 0.60 46.24 ? 404 CLA A C11 1 ? ? +55148 HETATM C C12 A CLA FE 33 . ? 33.356 -39.837 -35.017 0.40 46.99 ? 404 CLA A C12 1 ? ? +55149 HETATM C C12 B CLA FE 33 . ? 33.528 -39.765 -35.078 0.60 46.51 ? 404 CLA A C12 1 ? ? +55150 HETATM C C13 A CLA FE 33 . ? 32.643 -38.493 -34.897 0.40 46.81 ? 404 CLA A C13 1 ? ? +55151 HETATM C C13 B CLA FE 33 . ? 32.729 -38.480 -34.898 0.60 46.41 ? 404 CLA A C13 1 ? ? +55152 HETATM C C14 A CLA FE 33 . ? 33.078 -37.496 -35.963 0.40 46.74 ? 404 CLA A C14 1 ? ? +55153 HETATM C C14 B CLA FE 33 . ? 33.035 -37.430 -35.960 0.60 46.29 ? 404 CLA A C14 1 ? ? +55154 HETATM C C15 A CLA FE 33 . ? 32.920 -37.878 -33.532 0.40 47.11 ? 404 CLA A C15 1 ? ? +55155 HETATM C C15 B CLA FE 33 . ? 33.053 -37.905 -33.526 0.60 46.85 ? 404 CLA A C15 1 ? ? +55156 HETATM C C16 A CLA FE 33 . ? 32.176 -38.597 -32.419 0.40 47.33 ? 404 CLA A C16 1 ? ? +55157 HETATM C C16 B CLA FE 33 . ? 32.257 -38.600 -32.430 0.60 47.15 ? 404 CLA A C16 1 ? ? +55158 HETATM C C17 A CLA FE 33 . ? 31.608 -37.572 -31.443 0.40 47.32 ? 404 CLA A C17 1 ? ? +55159 HETATM C C17 B CLA FE 33 . ? 31.697 -37.582 -31.441 0.60 47.26 ? 404 CLA A C17 1 ? ? +55160 HETATM C C18 A CLA FE 33 . ? 32.450 -37.479 -30.197 0.40 47.75 ? 404 CLA A C18 1 ? ? +55161 HETATM C C18 B CLA FE 33 . ? 32.542 -37.445 -30.202 0.60 47.76 ? 404 CLA A C18 1 ? ? +55162 HETATM C C19 A CLA FE 33 . ? 33.826 -38.092 -30.165 0.40 48.32 ? 404 CLA A C19 1 ? ? +55163 HETATM C C19 B CLA FE 33 . ? 33.996 -37.854 -30.188 0.60 48.36 ? 404 CLA A C19 1 ? ? +55164 HETATM C C20 A CLA FE 33 . ? 31.961 -36.992 -28.886 0.40 47.77 ? 404 CLA A C20 1 ? ? +55165 HETATM C C20 B CLA FE 33 . ? 31.916 -37.076 -28.902 0.60 47.84 ? 404 CLA A C20 1 ? ? +55166 HETATM MG MG . CLA FF 33 . ? -11.988 -47.684 -14.053 1.00 55.48 ? 610 CLA B MG 1 ? ? +55167 HETATM C CHA . CLA FF 33 . ? -12.947 -44.451 -13.312 1.00 52.52 ? 610 CLA B CHA 1 ? ? +55168 HETATM C CHB . CLA FF 33 . ? -12.772 -47.218 -17.247 1.00 52.88 ? 610 CLA B CHB 1 ? ? +55169 HETATM C CHC . CLA FF 33 . ? -11.769 -51.093 -14.509 1.00 54.03 ? 610 CLA B CHC 1 ? ? +55170 HETATM C CHD . CLA FF 33 . ? -12.176 -48.409 -10.449 1.00 54.12 ? 610 CLA B CHD 1 ? ? +55171 HETATM N NA . CLA FF 33 . ? -12.726 -46.136 -15.085 1.00 53.32 ? 610 CLA B NA 1 ? ? +55172 HETATM C C1A . CLA FF 33 . ? -12.874 -44.908 -14.709 1.00 52.79 ? 610 CLA B C1A 1 ? ? +55173 HETATM C C2A . CLA FF 33 . ? -13.025 -43.950 -15.842 1.00 52.61 ? 610 CLA B C2A 1 ? ? +55174 HETATM C C3A . CLA FF 33 . ? -13.215 -44.861 -17.018 1.00 52.66 ? 610 CLA B C3A 1 ? ? +55175 HETATM C C4A . CLA FF 33 . ? -12.899 -46.182 -16.417 1.00 52.96 ? 610 CLA B C4A 1 ? ? +55176 HETATM C CMA . CLA FF 33 . ? -14.633 -44.798 -17.567 1.00 53.28 ? 610 CLA B CMA 1 ? ? +55177 HETATM C CAA . CLA FF 33 . ? -11.789 -43.094 -16.085 1.00 52.36 ? 610 CLA B CAA 1 ? ? +55178 HETATM C CBA . CLA FF 33 . ? -12.020 -42.050 -17.199 1.00 52.34 ? 610 CLA B CBA 1 ? ? +55179 HETATM C CGA . CLA FF 33 . ? -12.265 -40.729 -16.537 1.00 52.61 ? 610 CLA B CGA 1 ? ? +55180 HETATM O O1A . CLA FF 33 . ? -12.158 -40.629 -15.337 1.00 53.44 ? 610 CLA B O1A 1 ? ? +55181 HETATM O O2A . CLA FF 33 . ? -12.674 -39.539 -17.208 1.00 52.68 ? 610 CLA B O2A 1 ? ? +55182 HETATM N NB . CLA FF 33 . ? -12.295 -48.983 -15.588 1.00 53.69 ? 610 CLA B NB 1 ? ? +55183 HETATM C C1B . CLA FF 33 . ? -12.491 -48.602 -16.865 1.00 53.17 ? 610 CLA B C1B 1 ? ? +55184 HETATM C C2B . CLA FF 33 . ? -12.551 -49.665 -17.872 1.00 53.17 ? 610 CLA B C2B 1 ? ? +55185 HETATM C C3B . CLA FF 33 . ? -12.269 -50.815 -17.049 1.00 53.70 ? 610 CLA B C3B 1 ? ? +55186 HETATM C C4B . CLA FF 33 . ? -12.058 -50.289 -15.684 1.00 53.71 ? 610 CLA B C4B 1 ? ? +55187 HETATM C CMB . CLA FF 33 . ? -12.858 -49.618 -19.336 1.00 52.99 ? 610 CLA B CMB 1 ? ? +55188 HETATM C CAB . CLA FF 33 . ? -12.174 -52.174 -17.630 1.00 54.15 ? 610 CLA B CAB 1 ? ? +55189 HETATM C CBB . CLA FF 33 . ? -11.638 -53.206 -17.011 1.00 54.48 ? 610 CLA B CBB 1 ? ? +55190 HETATM N NC . CLA FF 33 . ? -12.058 -49.321 -12.783 1.00 54.23 ? 610 CLA B NC 1 ? ? +55191 HETATM C C1C . CLA FF 33 . ? -11.838 -50.603 -13.146 1.00 54.20 ? 610 CLA B C1C 1 ? ? +55192 HETATM C C2C . CLA FF 33 . ? -11.770 -51.607 -12.086 1.00 54.69 ? 610 CLA B C2C 1 ? ? +55193 HETATM C C3C . CLA FF 33 . ? -11.910 -50.823 -10.873 1.00 54.83 ? 610 CLA B C3C 1 ? ? +55194 HETATM C C4C . CLA FF 33 . ? -12.000 -49.465 -11.424 1.00 54.27 ? 610 CLA B C4C 1 ? ? +55195 HETATM C CMC . CLA FF 33 . ? -11.632 -53.090 -12.220 1.00 55.17 ? 610 CLA B CMC 1 ? ? +55196 HETATM C CAC . CLA FF 33 . ? -11.994 -51.289 -9.429 1.00 55.48 ? 610 CLA B CAC 1 ? ? +55197 HETATM C CBC . CLA FF 33 . ? -10.608 -51.520 -8.896 1.00 55.33 ? 610 CLA B CBC 1 ? ? +55198 HETATM N ND . CLA FF 33 . ? -12.414 -46.729 -12.281 1.00 53.54 ? 610 CLA B ND 1 ? ? +55199 HETATM C C1D . CLA FF 33 . ? -12.523 -47.108 -10.896 1.00 53.68 ? 610 CLA B C1D 1 ? ? +55200 HETATM C C2D . CLA FF 33 . ? -12.706 -45.910 -10.041 1.00 53.37 ? 610 CLA B C2D 1 ? ? +55201 HETATM C C3D . CLA FF 33 . ? -12.908 -44.889 -11.072 1.00 52.85 ? 610 CLA B C3D 1 ? ? +55202 HETATM C C4D . CLA FF 33 . ? -12.869 -45.443 -12.279 1.00 52.96 ? 610 CLA B C4D 1 ? ? +55203 HETATM C CMD . CLA FF 33 . ? -12.813 -45.602 -8.576 1.00 53.69 ? 610 CLA B CMD 1 ? ? +55204 HETATM C CAD . CLA FF 33 . ? -13.247 -43.469 -11.224 1.00 52.48 ? 610 CLA B CAD 1 ? ? +55205 HETATM O OBD . CLA FF 33 . ? -13.444 -42.664 -10.250 1.00 52.43 ? 610 CLA B OBD 1 ? ? +55206 HETATM C CBD . CLA FF 33 . ? -13.295 -43.141 -12.688 1.00 52.23 ? 610 CLA B CBD 1 ? ? +55207 HETATM C CGD . CLA FF 33 . ? -14.660 -42.671 -13.110 1.00 52.54 ? 610 CLA B CGD 1 ? ? +55208 HETATM O O1D . CLA FF 33 . ? -14.856 -41.567 -13.562 1.00 52.23 ? 610 CLA B O1D 1 ? ? +55209 HETATM O O2D . CLA FF 33 . ? -15.809 -43.527 -13.012 1.00 53.34 ? 610 CLA B O2D 1 ? ? +55210 HETATM C CED . CLA FF 33 . ? -17.046 -43.019 -13.480 1.00 53.72 ? 610 CLA B CED 1 ? ? +55211 HETATM C C1 . CLA FF 33 . ? -13.097 -38.444 -16.364 1.00 52.75 ? 610 CLA B C1 1 ? ? +55212 HETATM C C2 . CLA FF 33 . ? -14.535 -38.525 -15.877 1.00 53.31 ? 610 CLA B C2 1 ? ? +55213 HETATM C C3 . CLA FF 33 . ? -15.417 -37.508 -16.072 1.00 53.43 ? 610 CLA B C3 1 ? ? +55214 HETATM C C4 . CLA FF 33 . ? -15.046 -36.255 -16.805 1.00 52.90 ? 610 CLA B C4 1 ? ? +55215 HETATM C C5 . CLA FF 33 . ? -16.834 -37.589 -15.547 1.00 54.20 ? 610 CLA B C5 1 ? ? +55216 HETATM C C6 . CLA FF 33 . ? -17.035 -36.511 -14.497 1.00 54.27 ? 610 CLA B C6 1 ? ? +55217 HETATM C C7 . CLA FF 33 . ? -16.161 -36.770 -13.297 1.00 54.27 ? 610 CLA B C7 1 ? ? +55218 HETATM C C8 . CLA FF 33 . ? -16.720 -37.621 -12.165 1.00 55.03 ? 610 CLA B C8 1 ? ? +55219 HETATM C C9 . CLA FF 33 . ? -18.171 -37.990 -12.018 1.00 55.82 ? 610 CLA B C9 1 ? ? +55220 HETATM C C10 . CLA FF 33 . ? -15.695 -38.018 -11.128 1.00 55.15 ? 610 CLA B C10 1 ? ? +55221 HETATM C C11 . CLA FF 33 . ? -14.263 -38.280 -11.644 1.00 54.55 ? 610 CLA B C11 1 ? ? +55222 HETATM C C12 . CLA FF 33 . ? -13.522 -39.088 -10.589 1.00 54.91 ? 610 CLA B C12 1 ? ? +55223 HETATM C C13 . CLA FF 33 . ? -11.998 -39.082 -10.701 1.00 54.47 ? 610 CLA B C13 1 ? ? +55224 HETATM C C14 . CLA FF 33 . ? -11.528 -39.278 -12.133 1.00 53.97 ? 610 CLA B C14 1 ? ? +55225 HETATM C C15 . CLA FF 33 . ? -11.439 -40.222 -9.854 1.00 55.21 ? 610 CLA B C15 1 ? ? +55226 HETATM C C16 . CLA FF 33 . ? -10.372 -39.754 -8.897 1.00 55.54 ? 610 CLA B C16 1 ? ? +55227 HETATM C C17 . CLA FF 33 . ? -9.102 -40.607 -8.808 1.00 55.69 ? 610 CLA B C17 1 ? ? +55228 HETATM C C18 . CLA FF 33 . ? -9.208 -42.016 -8.230 1.00 56.50 ? 610 CLA B C18 1 ? ? +55229 HETATM C C19 . CLA FF 33 . ? -8.648 -42.276 -6.836 1.00 56.92 ? 610 CLA B C19 1 ? ? +55230 HETATM C C20 . CLA FF 33 . ? -9.972 -43.153 -8.900 1.00 57.03 ? 610 CLA B C20 1 ? ? +55231 HETATM MG MG . CLA FG 33 . ? 33.549 -64.869 -63.911 1.00 58.61 ? 505 CLA C MG 1 ? ? +55232 HETATM C CHA . CLA FG 33 . ? 30.688 -64.467 -65.814 1.00 58.25 ? 505 CLA C CHA 1 ? ? +55233 HETATM C CHB . CLA FG 33 . ? 33.766 -61.456 -63.662 1.00 57.57 ? 505 CLA C CHB 1 ? ? +55234 HETATM C CHC . CLA FG 33 . ? 35.325 -65.085 -60.838 1.00 58.26 ? 505 CLA C CHC 1 ? ? +55235 HETATM C CHD . CLA FG 33 . ? 32.349 -68.173 -63.106 1.00 59.07 ? 505 CLA C CHD 1 ? ? +55236 HETATM N NA . CLA FG 33 . ? 32.413 -63.276 -64.494 1.00 58.16 ? 505 CLA C NA 1 ? ? +55237 HETATM C C1A . CLA FG 33 . ? 31.379 -63.276 -65.298 1.00 58.28 ? 505 CLA C C1A 1 ? ? +55238 HETATM C C2A . CLA FG 33 . ? 30.896 -61.936 -65.791 1.00 58.30 ? 505 CLA C C2A 1 ? ? +55239 HETATM C C3A . CLA FG 33 . ? 31.984 -61.045 -65.244 1.00 57.76 ? 505 CLA C C3A 1 ? ? +55240 HETATM C C4A . CLA FG 33 . ? 32.767 -61.977 -64.375 1.00 57.79 ? 505 CLA C C4A 1 ? ? +55241 HETATM C CMA . CLA FG 33 . ? 32.877 -60.462 -66.337 1.00 58.14 ? 505 CLA C CMA 1 ? ? +55242 HETATM C CAA . CLA FG 33 . ? 29.475 -61.566 -65.316 1.00 58.52 ? 505 CLA C CAA 1 ? ? +55243 HETATM C CBA . CLA FG 33 . ? 29.377 -61.716 -63.807 1.00 59.10 ? 505 CLA C CBA 1 ? ? +55244 HETATM C CGA . CLA FG 33 . ? 28.001 -61.630 -63.222 1.00 60.04 ? 505 CLA C CGA 1 ? ? +55245 HETATM O O1A . CLA FG 33 . ? 26.999 -61.398 -63.870 1.00 60.57 ? 505 CLA C O1A 1 ? ? +55246 HETATM O O2A . CLA FG 33 . ? 27.893 -61.856 -61.801 1.00 61.90 ? 505 CLA C O2A 1 ? ? +55247 HETATM N NB . CLA FG 33 . ? 34.333 -63.552 -62.517 1.00 58.09 ? 505 CLA C NB 1 ? ? +55248 HETATM C C1B . CLA FG 33 . ? 34.457 -62.199 -62.618 1.00 57.60 ? 505 CLA C C1B 1 ? ? +55249 HETATM C C2B . CLA FG 33 . ? 35.200 -61.471 -61.558 1.00 57.31 ? 505 CLA C C2B 1 ? ? +55250 HETATM C C3B . CLA FG 33 . ? 35.609 -62.604 -60.722 1.00 57.83 ? 505 CLA C C3B 1 ? ? +55251 HETATM C C4B . CLA FG 33 . ? 35.111 -63.788 -61.437 1.00 58.05 ? 505 CLA C C4B 1 ? ? +55252 HETATM C CMB . CLA FG 33 . ? 35.454 -59.991 -61.423 1.00 56.76 ? 505 CLA C CMB 1 ? ? +55253 HETATM C CAB . CLA FG 33 . ? 36.529 -62.682 -59.549 1.00 58.03 ? 505 CLA C CAB 1 ? ? +55254 HETATM C CBB . CLA FG 33 . ? 37.519 -61.820 -59.460 1.00 58.01 ? 505 CLA C CBB 1 ? ? +55255 HETATM N NC . CLA FG 33 . ? 33.757 -66.259 -62.330 1.00 58.79 ? 505 CLA C NC 1 ? ? +55256 HETATM C C1C . CLA FG 33 . ? 34.568 -66.249 -61.225 1.00 58.55 ? 505 CLA C C1C 1 ? ? +55257 HETATM C C2C . CLA FG 33 . ? 34.563 -67.421 -60.309 1.00 58.63 ? 505 CLA C C2C 1 ? ? +55258 HETATM C C3C . CLA FG 33 . ? 33.679 -68.326 -61.013 1.00 58.90 ? 505 CLA C C3C 1 ? ? +55259 HETATM C C4C . CLA FG 33 . ? 33.306 -67.553 -62.206 1.00 58.91 ? 505 CLA C C4C 1 ? ? +55260 HETATM C CMC . CLA FG 33 . ? 35.277 -67.659 -59.001 1.00 58.56 ? 505 CLA C CMC 1 ? ? +55261 HETATM C CAC . CLA FG 33 . ? 33.266 -69.722 -60.649 1.00 59.37 ? 505 CLA C CAC 1 ? ? +55262 HETATM C CBC . CLA FG 33 . ? 31.967 -69.707 -59.874 1.00 59.05 ? 505 CLA C CBC 1 ? ? +55263 HETATM N ND . CLA FG 33 . ? 31.789 -65.921 -64.051 1.00 58.48 ? 505 CLA C ND 1 ? ? +55264 HETATM C C1D . CLA FG 33 . ? 31.674 -67.380 -64.077 1.00 58.81 ? 505 CLA C C1D 1 ? ? +55265 HETATM C C2D . CLA FG 33 . ? 30.660 -67.920 -65.019 1.00 59.13 ? 505 CLA C C2D 1 ? ? +55266 HETATM C C3D . CLA FG 33 . ? 30.313 -66.686 -65.727 1.00 58.87 ? 505 CLA C C3D 1 ? ? +55267 HETATM C C4D . CLA FG 33 . ? 31.047 -65.698 -65.199 1.00 58.47 ? 505 CLA C C4D 1 ? ? +55268 HETATM C CMD . CLA FG 33 . ? 30.074 -69.273 -65.336 1.00 59.55 ? 505 CLA C CMD 1 ? ? +55269 HETATM C CAD . CLA FG 33 . ? 29.422 -66.155 -66.801 1.00 58.79 ? 505 CLA C CAD 1 ? ? +55270 HETATM O OBD . CLA FG 33 . ? 28.595 -66.823 -67.544 1.00 58.97 ? 505 CLA C OBD 1 ? ? +55271 HETATM C CBD . CLA FG 33 . ? 29.671 -64.680 -66.900 1.00 58.24 ? 505 CLA C CBD 1 ? ? +55272 HETATM C CGD . CLA FG 33 . ? 30.169 -64.357 -68.267 1.00 58.05 ? 505 CLA C CGD 1 ? ? +55273 HETATM O O1D . CLA FG 33 . ? 29.879 -63.331 -68.858 1.00 57.50 ? 505 CLA C O1D 1 ? ? +55274 HETATM O O2D . CLA FG 33 . ? 31.006 -65.306 -68.941 1.00 58.35 ? 505 CLA C O2D 1 ? ? +55275 HETATM C CED . CLA FG 33 . ? 31.479 -64.898 -70.221 1.00 58.67 ? 505 CLA C CED 1 ? ? +55276 HETATM C C1 . CLA FG 33 . ? 26.641 -61.874 -61.130 1.00 63.59 ? 505 CLA C C1 1 ? ? +55277 HETATM C C2 . CLA FG 33 . ? 26.881 -61.338 -59.743 1.00 65.25 ? 505 CLA C C2 1 ? ? +55278 HETATM C C3 . CLA FG 33 . ? 26.896 -62.136 -58.668 1.00 69.31 ? 505 CLA C C3 1 ? ? +55279 HETATM C C4 . CLA FG 33 . ? 26.634 -63.608 -58.808 1.00 70.13 ? 505 CLA C C4 1 ? ? +55280 HETATM C C5 . CLA FG 33 . ? 27.156 -61.522 -57.318 1.00 73.06 ? 505 CLA C C5 1 ? ? +55281 HETATM C C6 . CLA FG 33 . ? 27.946 -62.430 -56.368 1.00 77.93 ? 505 CLA C C6 1 ? ? +55282 HETATM C C7 . CLA FG 33 . ? 27.818 -61.833 -54.962 1.00 81.82 ? 505 CLA C C7 1 ? ? +55283 HETATM C C8 . CLA FG 33 . ? 28.267 -62.710 -53.798 1.00 85.41 ? 505 CLA C C8 1 ? ? +55284 HETATM C C9 . CLA FG 33 . ? 28.140 -64.236 -53.821 1.00 87.42 ? 505 CLA C C9 1 ? ? +55285 HETATM C C10 . CLA FG 33 . ? 29.036 -62.108 -52.646 1.00 87.89 ? 505 CLA C C10 1 ? ? +55286 HETATM C C11 . CLA FG 33 . ? 30.379 -62.692 -52.203 1.00 90.58 ? 505 CLA C C11 1 ? ? +55287 HETATM C C12 . CLA FG 33 . ? 31.018 -61.672 -51.255 1.00 91.07 ? 505 CLA C C12 1 ? ? +55288 HETATM C C13 . CLA FG 33 . ? 32.205 -62.221 -50.481 1.00 92.76 ? 505 CLA C C13 1 ? ? +55289 HETATM C C14 . CLA FG 33 . ? 33.209 -62.904 -51.412 1.00 93.38 ? 505 CLA C C14 1 ? ? +55290 HETATM C C15 . CLA FG 33 . ? 31.697 -63.118 -49.338 1.00 93.64 ? 505 CLA C C15 1 ? ? +55291 HETATM C C16 . CLA FG 33 . ? 32.038 -62.519 -47.960 1.00 93.16 ? 505 CLA C C16 1 ? ? +55292 HETATM C C17 . CLA FG 33 . ? 31.168 -63.033 -46.801 1.00 90.14 ? 505 CLA C C17 1 ? ? +55293 HETATM C C18 . CLA FG 33 . ? 31.799 -62.939 -45.396 1.00 87.12 ? 505 CLA C C18 1 ? ? +55294 HETATM C C19 . CLA FG 33 . ? 33.174 -62.383 -45.066 1.00 86.73 ? 505 CLA C C19 1 ? ? +55295 HETATM C C20 . CLA FG 33 . ? 30.923 -63.390 -44.243 1.00 87.28 ? 505 CLA C C20 1 ? ? +55296 HETATM O O1 A LHG FH 39 . ? 38.829 -70.468 -31.944 0.40 61.50 ? 407 LHG D O1 1 ? ? +55297 HETATM O O1 B LHG FH 39 . ? 39.073 -70.459 -31.862 0.60 61.63 ? 407 LHG D O1 1 ? ? +55298 HETATM C C1 A LHG FH 39 . ? 39.533 -69.758 -32.960 0.40 61.20 ? 407 LHG D C1 1 ? ? +55299 HETATM C C1 B LHG FH 39 . ? 39.651 -69.727 -32.939 0.60 61.24 ? 407 LHG D C1 1 ? ? +55300 HETATM C C2 A LHG FH 39 . ? 39.626 -68.277 -32.657 0.40 60.58 ? 407 LHG D C2 1 ? ? +55301 HETATM C C2 B LHG FH 39 . ? 39.709 -68.239 -32.657 0.60 60.57 ? 407 LHG D C2 1 ? ? +55302 HETATM O O2 A LHG FH 39 . ? 40.407 -68.065 -31.478 0.40 60.79 ? 407 LHG D O2 1 ? ? +55303 HETATM O O2 B LHG FH 39 . ? 40.486 -67.993 -31.481 0.60 60.70 ? 407 LHG D O2 1 ? ? +55304 HETATM C C3 A LHG FH 39 . ? 38.272 -67.618 -32.505 0.40 59.90 ? 407 LHG D C3 1 ? ? +55305 HETATM C C3 B LHG FH 39 . ? 38.339 -67.606 -32.532 0.60 59.87 ? 407 LHG D C3 1 ? ? +55306 HETATM O O3 A LHG FH 39 . ? 37.522 -68.244 -31.433 0.40 60.21 ? 407 LHG D O3 1 ? ? +55307 HETATM O O3 B LHG FH 39 . ? 37.561 -68.256 -31.494 0.60 60.17 ? 407 LHG D O3 1 ? ? +55308 HETATM P P A LHG FH 39 . ? 37.490 -67.540 -29.992 0.40 60.31 ? 407 LHG D P 1 ? ? +55309 HETATM P P B LHG FH 39 . ? 37.504 -67.599 -30.032 0.60 60.29 ? 407 LHG D P 1 ? ? +55310 HETATM O O4 A LHG FH 39 . ? 36.723 -68.409 -29.038 0.40 60.74 ? 407 LHG D O4 1 ? ? +55311 HETATM O O4 B LHG FH 39 . ? 36.717 -68.499 -29.128 0.60 60.84 ? 407 LHG D O4 1 ? ? +55312 HETATM O O5 A LHG FH 39 . ? 38.886 -67.111 -29.644 0.40 60.83 ? 407 LHG D O5 1 ? ? +55313 HETATM O O5 B LHG FH 39 . ? 38.882 -67.174 -29.624 0.60 60.96 ? 407 LHG D O5 1 ? ? +55314 HETATM O O6 A LHG FH 39 . ? 36.642 -66.206 -30.259 0.40 60.19 ? 407 LHG D O6 1 ? ? +55315 HETATM O O6 B LHG FH 39 . ? 36.680 -66.246 -30.274 0.60 60.54 ? 407 LHG D O6 1 ? ? +55316 HETATM C C4 A LHG FH 39 . ? 35.204 -66.298 -30.442 0.40 60.47 ? 407 LHG D C4 1 ? ? +55317 HETATM C C4 B LHG FH 39 . ? 35.240 -66.300 -30.446 0.60 61.14 ? 407 LHG D C4 1 ? ? +55318 HETATM C C5 A LHG FH 39 . ? 34.742 -65.170 -31.339 0.40 60.29 ? 407 LHG D C5 1 ? ? +55319 HETATM C C5 B LHG FH 39 . ? 34.801 -65.168 -31.350 0.60 61.24 ? 407 LHG D C5 1 ? ? +55320 HETATM C C6 A LHG FH 39 . ? 35.316 -63.822 -30.963 0.40 59.84 ? 407 LHG D C6 1 ? ? +55321 HETATM C C6 B LHG FH 39 . ? 35.371 -63.822 -30.962 0.60 60.69 ? 407 LHG D C6 1 ? ? +55322 HETATM O O7 A LHG FH 39 . ? 35.143 -65.450 -32.707 0.40 61.37 ? 407 LHG D O7 1 ? ? +55323 HETATM O O7 B LHG FH 39 . ? 35.221 -65.442 -32.715 0.60 62.98 ? 407 LHG D O7 1 ? ? +55324 HETATM C C7 A LHG FH 39 . ? 34.496 -66.415 -33.374 0.40 62.84 ? 407 LHG D C7 1 ? ? +55325 HETATM C C7 B LHG FH 39 . ? 34.511 -66.317 -33.441 0.60 65.43 ? 407 LHG D C7 1 ? ? +55326 HETATM O O9 A LHG FH 39 . ? 33.583 -67.030 -32.893 0.40 62.74 ? 407 LHG D O9 1 ? ? +55327 HETATM O O9 B LHG FH 39 . ? 33.528 -66.856 -33.014 0.60 65.03 ? 407 LHG D O9 1 ? ? +55328 HETATM C C8 A LHG FH 39 . ? 35.049 -66.638 -34.751 0.40 63.99 ? 407 LHG D C8 1 ? ? +55329 HETATM C C8 B LHG FH 39 . ? 35.057 -66.574 -34.813 0.60 67.60 ? 407 LHG D C8 1 ? ? +55330 HETATM C C9 A LHG FH 39 . ? 34.077 -67.285 -35.681 0.40 65.15 ? 407 LHG D C9 1 ? ? +55331 HETATM C C9 B LHG FH 39 . ? 34.173 -67.471 -35.605 0.60 70.17 ? 407 LHG D C9 1 ? ? +55332 HETATM C C10 A LHG FH 39 . ? 34.720 -67.706 -36.995 0.40 66.93 ? 407 LHG D C10 1 ? ? +55333 HETATM C C10 B LHG FH 39 . ? 34.702 -67.778 -36.996 0.60 73.70 ? 407 LHG D C10 1 ? ? +55334 HETATM O O8 A LHG FH 39 . ? 34.714 -62.817 -31.807 0.40 59.06 ? 407 LHG D O8 1 ? ? +55335 HETATM O O8 B LHG FH 39 . ? 34.764 -62.813 -31.800 0.60 59.76 ? 407 LHG D O8 1 ? ? +55336 HETATM C C23 A LHG FH 39 . ? 34.797 -61.566 -31.367 0.40 58.92 ? 407 LHG D C23 1 ? ? +55337 HETATM C C23 B LHG FH 39 . ? 34.883 -61.552 -31.393 0.60 59.79 ? 407 LHG D C23 1 ? ? +55338 HETATM O O10 A LHG FH 39 . ? 35.443 -61.255 -30.402 0.40 58.97 ? 407 LHG D O10 1 ? ? +55339 HETATM O O10 B LHG FH 39 . ? 35.574 -61.219 -30.467 0.60 59.67 ? 407 LHG D O10 1 ? ? +55340 HETATM C C24 A LHG FH 39 . ? 33.928 -60.633 -32.171 0.40 58.60 ? 407 LHG D C24 1 ? ? +55341 HETATM C C24 B LHG FH 39 . ? 33.979 -60.628 -32.170 0.60 59.68 ? 407 LHG D C24 1 ? ? +55342 HETATM C C11 A LHG FH 39 . ? 33.776 -68.378 -37.959 0.40 68.75 ? 407 LHG D C11 1 ? ? +55343 HETATM C C11 B LHG FH 39 . ? 33.675 -68.435 -37.879 0.60 77.81 ? 407 LHG D C11 1 ? ? +55344 HETATM C C12 A LHG FH 39 . ? 32.501 -67.614 -38.189 0.40 70.25 ? 407 LHG D C12 1 ? ? +55345 HETATM C C12 B LHG FH 39 . ? 32.522 -67.528 -38.218 0.60 82.09 ? 407 LHG D C12 1 ? ? +55346 HETATM C C13 A LHG FH 39 . ? 31.923 -67.760 -39.576 0.40 72.23 ? 407 LHG D C13 1 ? ? +55347 HETATM C C13 B LHG FH 39 . ? 31.827 -67.822 -39.524 0.60 87.38 ? 407 LHG D C13 1 ? ? +55348 HETATM C C14 A LHG FH 39 . ? 30.727 -66.865 -39.838 0.40 73.57 ? 407 LHG D C14 1 ? ? +55349 HETATM C C14 B LHG FH 39 . ? 30.652 -66.900 -39.802 0.60 91.72 ? 407 LHG D C14 1 ? ? +55350 HETATM C C15 A LHG FH 39 . ? 30.199 -66.931 -41.251 0.40 75.04 ? 407 LHG D C15 1 ? ? +55351 HETATM C C15 B LHG FH 39 . ? 30.127 -66.959 -41.217 0.60 95.72 ? 407 LHG D C15 1 ? ? +55352 HETATM C C16 A LHG FH 39 . ? 28.693 -66.912 -41.347 0.40 76.19 ? 407 LHG D C16 1 ? ? +55353 HETATM C C16 B LHG FH 39 . ? 28.622 -66.892 -41.317 0.60 98.90 ? 407 LHG D C16 1 ? ? +55354 HETATM C C17 A LHG FH 39 . ? 28.169 -66.618 -42.729 0.40 77.31 ? 407 LHG D C17 1 ? ? +55355 HETATM C C17 B LHG FH 39 . ? 28.108 -66.613 -42.705 0.60 101.94 ? 407 LHG D C17 1 ? ? +55356 HETATM C C18 A LHG FH 39 . ? 27.935 -65.154 -43.001 0.40 77.86 ? 407 LHG D C18 1 ? ? +55357 HETATM C C18 B LHG FH 39 . ? 28.027 -65.148 -43.046 0.60 104.02 ? 407 LHG D C18 1 ? ? +55358 HETATM C C19 A LHG FH 39 . ? 27.396 -64.863 -44.381 0.40 78.72 ? 407 LHG D C19 1 ? ? +55359 HETATM C C19 B LHG FH 39 . ? 27.439 -64.857 -44.407 0.60 106.36 ? 407 LHG D C19 1 ? ? +55360 HETATM C C20 A LHG FH 39 . ? 26.240 -63.899 -44.396 0.40 78.93 ? 407 LHG D C20 1 ? ? +55361 HETATM C C20 B LHG FH 39 . ? 26.336 -63.834 -44.389 0.60 107.63 ? 407 LHG D C20 1 ? ? +55362 HETATM C C21 A LHG FH 39 . ? 25.689 -63.621 -45.768 0.40 79.61 ? 407 LHG D C21 1 ? ? +55363 HETATM C C21 B LHG FH 39 . ? 25.766 -63.512 -45.742 0.60 109.89 ? 407 LHG D C21 1 ? ? +55364 HETATM C C22 A LHG FH 39 . ? 24.436 -62.778 -45.738 0.40 79.80 ? 407 LHG D C22 1 ? ? +55365 HETATM C C22 B LHG FH 39 . ? 24.527 -62.651 -45.664 0.60 111.38 ? 407 LHG D C22 1 ? ? +55366 HETATM C C25 A LHG FH 39 . ? 34.693 -59.591 -32.925 0.40 58.64 ? 407 LHG D C25 1 ? ? +55367 HETATM C C25 B LHG FH 39 . ? 34.708 -59.578 -32.952 0.60 59.89 ? 407 LHG D C25 1 ? ? +55368 HETATM C C26 A LHG FH 39 . ? 33.796 -58.583 -33.619 0.40 58.42 ? 407 LHG D C26 1 ? ? +55369 HETATM C C26 B LHG FH 39 . ? 33.784 -58.579 -33.630 0.60 59.94 ? 407 LHG D C26 1 ? ? +55370 HETATM C C27 A LHG FH 39 . ? 32.847 -59.187 -34.631 0.40 58.95 ? 407 LHG D C27 1 ? ? +55371 HETATM C C27 B LHG FH 39 . ? 32.823 -59.180 -34.640 0.60 60.90 ? 407 LHG D C27 1 ? ? +55372 HETATM C C28 A LHG FH 39 . ? 33.499 -59.604 -35.925 0.40 59.71 ? 407 LHG D C28 1 ? ? +55373 HETATM C C28 B LHG FH 39 . ? 33.453 -59.568 -35.959 0.60 62.04 ? 407 LHG D C28 1 ? ? +55374 HETATM C C29 A LHG FH 39 . ? 32.784 -60.718 -36.653 0.40 60.58 ? 407 LHG D C29 1 ? ? +55375 HETATM C C29 B LHG FH 39 . ? 32.808 -60.755 -36.648 0.60 63.45 ? 407 LHG D C29 1 ? ? +55376 HETATM C C30 A LHG FH 39 . ? 33.710 -61.722 -37.297 0.40 61.94 ? 407 LHG D C30 1 ? ? +55377 HETATM C C30 B LHG FH 39 . ? 33.799 -61.760 -37.195 0.60 65.51 ? 407 LHG D C30 1 ? ? +55378 HETATM C C31 A LHG FH 39 . ? 33.066 -63.046 -37.628 0.40 63.13 ? 407 LHG D C31 1 ? ? +55379 HETATM C C31 B LHG FH 39 . ? 33.193 -63.071 -37.644 0.60 67.45 ? 407 LHG D C31 1 ? ? +55380 HETATM C C32 A LHG FH 39 . ? 32.580 -63.161 -39.055 0.40 63.93 ? 407 LHG D C32 1 ? ? +55381 HETATM C C32 B LHG FH 39 . ? 32.550 -63.038 -39.017 0.60 69.05 ? 407 LHG D C32 1 ? ? +55382 HETATM C C33 A LHG FH 39 . ? 33.610 -62.792 -40.100 0.40 64.81 ? 407 LHG D C33 1 ? ? +55383 HETATM C C33 B LHG FH 39 . ? 33.481 -62.654 -40.153 0.60 70.57 ? 407 LHG D C33 1 ? ? +55384 HETATM C C34 A LHG FH 39 . ? 33.169 -63.039 -41.525 0.40 65.62 ? 407 LHG D C34 1 ? ? +55385 HETATM C C34 B LHG FH 39 . ? 32.990 -63.060 -41.531 0.60 72.15 ? 407 LHG D C34 1 ? ? +55386 HETATM C C35 A LHG FH 39 . ? 33.595 -64.380 -42.079 0.40 67.14 ? 407 LHG D C35 1 ? ? +55387 HETATM C C35 B LHG FH 39 . ? 33.635 -64.307 -42.107 0.60 74.73 ? 407 LHG D C35 1 ? ? +55388 HETATM C C36 A LHG FH 39 . ? 33.773 -65.463 -41.030 0.40 68.37 ? 407 LHG D C36 1 ? ? +55389 HETATM C C36 B LHG FH 39 . ? 33.868 -65.436 -41.114 0.60 76.96 ? 407 LHG D C36 1 ? ? +55390 HETATM C C37 A LHG FH 39 . ? 34.257 -66.791 -41.572 0.40 69.68 ? 407 LHG D C37 1 ? ? +55391 HETATM C C37 B LHG FH 39 . ? 34.340 -66.731 -41.744 0.60 78.86 ? 407 LHG D C37 1 ? ? +55392 HETATM C C38 A LHG FH 39 . ? 35.007 -67.655 -40.578 0.40 70.41 ? 407 LHG D C38 1 ? ? +55393 HETATM C C38 B LHG FH 39 . ? 35.237 -67.582 -40.868 0.60 79.41 ? 407 LHG D C38 1 ? ? +55394 HETATM FE FE . HEC FI 46 . ? 22.254 -45.299 -86.197 1.00 53.86 ? 201 HEC V FE 1 ? ? +55395 HETATM C CHA . HEC FI 46 . ? 21.218 -42.321 -87.586 1.00 54.11 ? 201 HEC V CHA 1 ? ? +55396 HETATM C CHB . HEC FI 46 . ? 19.693 -46.957 -87.753 1.00 54.64 ? 201 HEC V CHB 1 ? ? +55397 HETATM C CHC . HEC FI 46 . ? 23.662 -48.302 -85.198 1.00 53.90 ? 201 HEC V CHC 1 ? ? +55398 HETATM C CHD . HEC FI 46 . ? 24.497 -43.583 -84.193 1.00 52.93 ? 201 HEC V CHD 1 ? ? +55399 HETATM N NA . HEC FI 46 . ? 20.691 -44.733 -87.437 1.00 54.27 ? 201 HEC V NA 1 ? ? +55400 HETATM C C1A . HEC FI 46 . ? 20.419 -43.513 -87.898 1.00 54.34 ? 201 HEC V C1A 1 ? ? +55401 HETATM C C2A . HEC FI 46 . ? 19.240 -43.442 -88.778 1.00 54.71 ? 201 HEC V C2A 1 ? ? +55402 HETATM C C3A . HEC FI 46 . ? 18.777 -44.826 -88.826 1.00 54.88 ? 201 HEC V C3A 1 ? ? +55403 HETATM C C4A . HEC FI 46 . ? 19.753 -45.514 -87.963 1.00 54.55 ? 201 HEC V C4A 1 ? ? +55404 HETATM C CMA . HEC FI 46 . ? 17.588 -45.391 -89.569 1.00 55.31 ? 201 HEC V CMA 1 ? ? +55405 HETATM C CAA . HEC FI 46 . ? 18.622 -42.248 -89.424 1.00 54.93 ? 201 HEC V CAA 1 ? ? +55406 HETATM C CBA . HEC FI 46 . ? 17.668 -41.735 -88.349 1.00 54.39 ? 201 HEC V CBA 1 ? ? +55407 HETATM C CGA . HEC FI 46 . ? 16.720 -40.706 -88.915 1.00 54.65 ? 201 HEC V CGA 1 ? ? +55408 HETATM O O1A . HEC FI 46 . ? 16.916 -40.333 -90.091 1.00 55.25 ? 201 HEC V O1A 1 ? ? +55409 HETATM O O2A . HEC FI 46 . ? 15.781 -40.279 -88.200 1.00 54.30 ? 201 HEC V O2A 1 ? ? +55410 HETATM N NB . HEC FI 46 . ? 21.783 -47.291 -86.446 1.00 54.18 ? 201 HEC V NB 1 ? ? +55411 HETATM C C1B . HEC FI 46 . ? 20.707 -47.787 -87.085 1.00 54.51 ? 201 HEC V C1B 1 ? ? +55412 HETATM C C2B . HEC FI 46 . ? 20.606 -49.254 -87.125 1.00 54.75 ? 201 HEC V C2B 1 ? ? +55413 HETATM C C3B . HEC FI 46 . ? 21.796 -49.629 -86.373 1.00 54.53 ? 201 HEC V C3B 1 ? ? +55414 HETATM C C4B . HEC FI 46 . ? 22.447 -48.359 -86.015 1.00 54.19 ? 201 HEC V C4B 1 ? ? +55415 HETATM C CMB . HEC FI 46 . ? 19.553 -50.099 -87.779 1.00 55.19 ? 201 HEC V CMB 1 ? ? +55416 HETATM C CAB . HEC FI 46 . ? 22.290 -51.031 -86.055 1.00 54.65 ? 201 HEC V CAB 1 ? ? +55417 HETATM C CBB . HEC FI 46 . ? 22.657 -51.751 -87.348 1.00 55.35 ? 201 HEC V CBB 1 ? ? +55418 HETATM N NC . HEC FI 46 . ? 23.816 -45.849 -84.915 1.00 53.47 ? 201 HEC V NC 1 ? ? +55419 HETATM C C1C . HEC FI 46 . ? 24.243 -47.088 -84.617 1.00 53.52 ? 201 HEC V C1C 1 ? ? +55420 HETATM C C2C . HEC FI 46 . ? 25.330 -47.165 -83.619 1.00 53.19 ? 201 HEC V C2C 1 ? ? +55421 HETATM C C3C . HEC FI 46 . ? 25.572 -45.747 -83.349 1.00 52.90 ? 201 HEC V C3C 1 ? ? +55422 HETATM C C4C . HEC FI 46 . ? 24.581 -45.039 -84.165 1.00 53.08 ? 201 HEC V C4C 1 ? ? +55423 HETATM C CMC . HEC FI 46 . ? 26.000 -48.390 -83.081 1.00 53.22 ? 201 HEC V CMC 1 ? ? +55424 HETATM C CAC . HEC FI 46 . ? 26.557 -45.133 -82.369 1.00 52.50 ? 201 HEC V CAC 1 ? ? +55425 HETATM C CBC . HEC FI 46 . ? 28.011 -45.540 -82.556 1.00 52.77 ? 201 HEC V CBC 1 ? ? +55426 HETATM N ND . HEC FI 46 . ? 22.741 -43.295 -85.940 1.00 53.55 ? 201 HEC V ND 1 ? ? +55427 HETATM C C1D . HEC FI 46 . ? 23.682 -42.765 -85.115 1.00 53.19 ? 201 HEC V C1D 1 ? ? +55428 HETATM C C2D . HEC FI 46 . ? 23.856 -41.289 -85.219 1.00 53.10 ? 201 HEC V C2D 1 ? ? +55429 HETATM C C3D . HEC FI 46 . ? 22.873 -40.949 -86.238 1.00 53.49 ? 201 HEC V C3D 1 ? ? +55430 HETATM C C4D . HEC FI 46 . ? 22.284 -42.243 -86.615 1.00 53.71 ? 201 HEC V C4D 1 ? ? +55431 HETATM C CMD . HEC FI 46 . ? 24.763 -40.348 -84.486 1.00 52.77 ? 201 HEC V CMD 1 ? ? +55432 HETATM C CAD . HEC FI 46 . ? 22.589 -39.604 -86.816 1.00 53.70 ? 201 HEC V CAD 1 ? ? +55433 HETATM C CBD . HEC FI 46 . ? 23.438 -39.595 -88.092 1.00 54.38 ? 201 HEC V CBD 1 ? ? +55434 HETATM C CGD . HEC FI 46 . ? 23.350 -38.266 -88.783 1.00 54.67 ? 201 HEC V CGD 1 ? ? +55435 HETATM O O1D . HEC FI 46 . ? 22.426 -38.005 -89.568 1.00 54.99 ? 201 HEC V O1D 1 ? ? +55436 HETATM O O2D . HEC FI 46 . ? 24.243 -37.449 -88.532 1.00 54.70 ? 201 HEC V O2D 1 ? ? +55437 HETATM MG MG . CLA FJ 33 . ? 37.538 -0.900 -16.997 1.00 50.26 ? 604 CLA b MG 1 ? ? +55438 HETATM C CHA . CLA FJ 33 . ? 40.535 -0.141 -18.501 1.00 51.84 ? 604 CLA b CHA 1 ? ? +55439 HETATM C CHB . CLA FJ 33 . ? 36.650 -2.772 -19.720 1.00 49.55 ? 604 CLA b CHB 1 ? ? +55440 HETATM C CHC . CLA FJ 33 . ? 35.293 -2.827 -15.071 1.00 49.12 ? 604 CLA b CHC 1 ? ? +55441 HETATM C CHD . CLA FJ 33 . ? 39.074 -0.062 -13.811 1.00 51.23 ? 604 CLA b CHD 1 ? ? +55442 HETATM N NA . CLA FJ 33 . ? 38.431 -1.418 -18.750 1.00 50.69 ? 604 CLA b NA 1 ? ? +55443 HETATM C C1A . CLA FJ 33 . ? 39.531 -0.931 -19.250 1.00 51.52 ? 604 CLA b C1A 1 ? ? +55444 HETATM C C2A . CLA FJ 33 . ? 39.706 -1.136 -20.730 1.00 51.90 ? 604 CLA b C2A 1 ? ? +55445 HETATM C C3A . CLA FJ 33 . ? 38.616 -2.115 -21.031 1.00 50.82 ? 604 CLA b C3A 1 ? ? +55446 HETATM C C4A . CLA FJ 33 . ? 37.841 -2.124 -19.745 1.00 50.39 ? 604 CLA b C4A 1 ? ? +55447 HETATM C CMA . CLA FJ 33 . ? 37.813 -1.663 -22.241 1.00 50.58 ? 604 CLA b CMA 1 ? ? +55448 HETATM C CAA . CLA FJ 33 . ? 41.061 -1.703 -21.168 1.00 53.29 ? 604 CLA b CAA 1 ? ? +55449 HETATM C CBA . CLA FJ 33 . ? 41.496 -2.854 -20.276 1.00 54.30 ? 604 CLA b CBA 1 ? ? +55450 HETATM C CGA . CLA FJ 33 . ? 42.654 -3.586 -20.858 1.00 55.83 ? 604 CLA b CGA 1 ? ? +55451 HETATM O O1A . CLA FJ 33 . ? 43.008 -3.458 -22.013 1.00 56.08 ? 604 CLA b O1A 1 ? ? +55452 HETATM O O2A . CLA FJ 33 . ? 43.319 -4.484 -19.962 1.00 58.50 ? 604 CLA b O2A 1 ? ? +55453 HETATM N NB . CLA FJ 33 . ? 36.267 -2.517 -17.331 1.00 49.43 ? 604 CLA b NB 1 ? ? +55454 HETATM C C1B . CLA FJ 33 . ? 35.926 -3.088 -18.505 1.00 49.18 ? 604 CLA b C1B 1 ? ? +55455 HETATM C C2B . CLA FJ 33 . ? 34.860 -4.151 -18.485 1.00 48.81 ? 604 CLA b C2B 1 ? ? +55456 HETATM C C3B . CLA FJ 33 . ? 34.512 -4.160 -17.072 1.00 48.83 ? 604 CLA b C3B 1 ? ? +55457 HETATM C C4B . CLA FJ 33 . ? 35.373 -3.098 -16.498 1.00 49.10 ? 604 CLA b C4B 1 ? ? +55458 HETATM C CMB . CLA FJ 33 . ? 34.328 -5.018 -19.598 1.00 48.39 ? 604 CLA b CMB 1 ? ? +55459 HETATM C CAB . CLA FJ 33 . ? 33.455 -4.912 -16.333 1.00 48.65 ? 604 CLA b CAB 1 ? ? +55460 HETATM C CBB . CLA FJ 33 . ? 32.402 -5.471 -16.921 1.00 48.30 ? 604 CLA b CBB 1 ? ? +55461 HETATM N NC . CLA FJ 33 . ? 37.291 -1.365 -14.953 1.00 50.11 ? 604 CLA b NC 1 ? ? +55462 HETATM C C1C . CLA FJ 33 . ? 36.272 -2.064 -14.338 1.00 49.59 ? 604 CLA b C1C 1 ? ? +55463 HETATM C C2C . CLA FJ 33 . ? 36.268 -2.175 -12.864 1.00 49.59 ? 604 CLA b C2C 1 ? ? +55464 HETATM C C3C . CLA FJ 33 . ? 37.411 -1.349 -12.500 1.00 50.15 ? 604 CLA b C3C 1 ? ? +55465 HETATM C C4C . CLA FJ 33 . ? 37.887 -0.878 -13.812 1.00 50.42 ? 604 CLA b C4C 1 ? ? +55466 HETATM C CMC . CLA FJ 33 . ? 35.376 -2.935 -11.934 1.00 49.25 ? 604 CLA b CMC 1 ? ? +55467 HETATM C CAC . CLA FJ 33 . ? 37.913 -1.018 -11.123 1.00 50.46 ? 604 CLA b CAC 1 ? ? +55468 HETATM C CBC . CLA FJ 33 . ? 36.929 -0.075 -10.451 1.00 50.36 ? 604 CLA b CBC 1 ? ? +55469 HETATM N ND . CLA FJ 33 . ? 39.405 -0.574 -16.260 1.00 51.12 ? 604 CLA b ND 1 ? ? +55470 HETATM C C1D . CLA FJ 33 . ? 39.763 0.149 -15.039 1.00 51.52 ? 604 CLA b C1D 1 ? ? +55471 HETATM C C2D . CLA FJ 33 . ? 41.036 0.903 -15.123 1.00 52.38 ? 604 CLA b C2D 1 ? ? +55472 HETATM C C3D . CLA FJ 33 . ? 41.295 0.767 -16.552 1.00 52.40 ? 604 CLA b C3D 1 ? ? +55473 HETATM C C4D . CLA FJ 33 . ? 40.282 0.058 -17.105 1.00 51.70 ? 604 CLA b C4D 1 ? ? +55474 HETATM C CMD . CLA FJ 33 . ? 41.908 1.671 -14.184 1.00 53.13 ? 604 CLA b CMD 1 ? ? +55475 HETATM C CAD . CLA FJ 33 . ? 42.264 1.176 -17.591 1.00 52.84 ? 604 CLA b CAD 1 ? ? +55476 HETATM O OBD . CLA FJ 33 . ? 43.328 1.880 -17.451 1.00 53.63 ? 604 CLA b OBD 1 ? ? +55477 HETATM C CBD . CLA FJ 33 . ? 41.821 0.571 -18.877 1.00 52.46 ? 604 CLA b CBD 1 ? ? +55478 HETATM C CGD . CLA FJ 33 . ? 41.790 1.661 -19.886 1.00 52.48 ? 604 CLA b CGD 1 ? ? +55479 HETATM O O1D . CLA FJ 33 . ? 42.604 1.653 -20.784 1.00 52.71 ? 604 CLA b O1D 1 ? ? +55480 HETATM O O2D . CLA FJ 33 . ? 40.829 2.727 -19.778 1.00 52.09 ? 604 CLA b O2D 1 ? ? +55481 HETATM C CED . CLA FJ 33 . ? 41.015 3.888 -20.559 1.00 52.39 ? 604 CLA b CED 1 ? ? +55482 HETATM C C1 . CLA FJ 33 . ? 44.306 -5.398 -20.396 1.00 61.07 ? 604 CLA b C1 1 ? ? +55483 HETATM C C2 . CLA FJ 33 . ? 45.094 -5.784 -19.186 1.00 63.61 ? 604 CLA b C2 1 ? ? +55484 HETATM C C3 . CLA FJ 33 . ? 46.388 -5.637 -19.220 1.00 69.81 ? 604 CLA b C3 1 ? ? +55485 HETATM C C4 . CLA FJ 33 . ? 47.083 -5.142 -20.463 1.00 71.84 ? 604 CLA b C4 1 ? ? +55486 HETATM C C5 . CLA FJ 33 . ? 47.242 -6.032 -18.036 1.00 74.67 ? 604 CLA b C5 1 ? ? +55487 HETATM C C6 . CLA FJ 33 . ? 47.554 -7.520 -18.179 1.00 75.89 ? 604 CLA b C6 1 ? ? +55488 HETATM C C7 . CLA FJ 33 . ? 48.678 -7.933 -17.260 1.00 77.16 ? 604 CLA b C7 1 ? ? +55489 HETATM C C8 . CLA FJ 33 . ? 49.766 -8.657 -18.017 1.00 77.78 ? 604 CLA b C8 1 ? ? +55490 HETATM C C9 . CLA FJ 33 . ? 50.055 -8.346 -19.480 1.00 78.20 ? 604 CLA b C9 1 ? ? +55491 HETATM C C10 . CLA FJ 33 . ? 50.626 -9.505 -17.093 1.00 78.25 ? 604 CLA b C10 1 ? ? +55492 HETATM C C11 . CLA FJ 33 . ? 52.040 -9.765 -17.532 1.00 80.27 ? 604 CLA b C11 1 ? ? +55493 HETATM C C12 . CLA FJ 33 . ? 52.828 -10.050 -16.260 1.00 82.49 ? 604 CLA b C12 1 ? ? +55494 HETATM C C13 . CLA FJ 33 . ? 53.963 -11.017 -16.548 1.00 84.78 ? 604 CLA b C13 1 ? ? +55495 HETATM C C14 . CLA FJ 33 . ? 53.497 -12.449 -16.374 1.00 85.83 ? 604 CLA b C14 1 ? ? +55496 HETATM C C15 . CLA FJ 33 . ? 55.145 -10.732 -15.635 1.00 87.64 ? 604 CLA b C15 1 ? ? +55497 HETATM C C16 . CLA FJ 33 . ? 56.445 -11.301 -16.201 1.00 89.66 ? 604 CLA b C16 1 ? ? +55498 HETATM C C17 . CLA FJ 33 . ? 56.684 -10.859 -17.650 1.00 89.81 ? 604 CLA b C17 1 ? ? +55499 HETATM C C18 . CLA FJ 33 . ? 57.989 -10.097 -17.952 1.00 90.00 ? 604 CLA b C18 1 ? ? +55500 HETATM C C19 . CLA FJ 33 . ? 58.793 -9.379 -16.868 1.00 89.86 ? 604 CLA b C19 1 ? ? +55501 HETATM C C20 . CLA FJ 33 . ? 58.593 -10.237 -19.349 1.00 89.55 ? 604 CLA b C20 1 ? ? +55502 HETATM C C1B . LMT FK 37 . ? -24.125 -10.075 26.016 1.00 130.36 ? 501 LMT c C1B 1 ? ? +55503 HETATM C C2B . LMT FK 37 . ? -22.814 -10.148 26.795 1.00 128.04 ? 501 LMT c C2B 1 ? ? +55504 HETATM C C3B . LMT FK 37 . ? -21.665 -10.661 25.926 1.00 125.47 ? 501 LMT c C3B 1 ? ? +55505 HETATM C C4B . LMT FK 37 . ? -22.033 -11.938 25.180 1.00 125.98 ? 501 LMT c C4B 1 ? ? +55506 HETATM C C5B . LMT FK 37 . ? -23.387 -11.783 24.462 1.00 127.28 ? 501 LMT c C5B 1 ? ? +55507 HETATM C C6B . LMT FK 37 . ? -23.899 -13.079 23.864 1.00 126.46 ? 501 LMT c C6B 1 ? ? +55508 HETATM O O1B . LMT FK 37 . ? -24.080 -9.047 25.043 1.00 131.30 ? 501 LMT c O1B 1 ? ? +55509 HETATM O O2B . LMT FK 37 . ? -22.490 -8.870 27.341 1.00 127.16 ? 501 LMT c O2B 1 ? ? +55510 HETATM O O3B . LMT FK 37 . ? -20.530 -10.900 26.759 1.00 120.67 ? 501 LMT c O3B 1 ? ? +55511 HETATM O O4' . LMT FK 37 . ? -20.998 -12.235 24.232 1.00 118.23 ? 501 LMT c O4' 1 ? ? +55512 HETATM O O5B . LMT FK 37 . ? -24.396 -11.337 25.402 1.00 129.76 ? 501 LMT c O5B 1 ? ? +55513 HETATM O O6B . LMT FK 37 . ? -25.313 -13.045 23.667 1.00 128.83 ? 501 LMT c O6B 1 ? ? +55514 HETATM C C1' . LMT FK 37 . ? -26.443 -5.658 24.160 1.00 131.26 ? 501 LMT c C1' 1 ? ? +55515 HETATM C C2' . LMT FK 37 . ? -26.054 -5.917 25.615 1.00 131.87 ? 501 LMT c C2' 1 ? ? +55516 HETATM C C3' . LMT FK 37 . ? -24.871 -6.871 25.705 1.00 129.80 ? 501 LMT c C3' 1 ? ? +55517 HETATM C C4' . LMT FK 37 . ? -25.195 -8.143 24.937 1.00 129.73 ? 501 LMT c C4' 1 ? ? +55518 HETATM C C5' . LMT FK 37 . ? -25.471 -7.765 23.482 1.00 128.98 ? 501 LMT c C5' 1 ? ? +55519 HETATM C C6' . LMT FK 37 . ? -25.791 -8.931 22.567 1.00 128.03 ? 501 LMT c C6' 1 ? ? +55520 HETATM O O1' . LMT FK 37 . ? -27.663 -4.958 24.138 1.00 127.33 ? 501 LMT c O1' 1 ? ? +55521 HETATM O O2' . LMT FK 37 . ? -25.724 -4.695 26.267 1.00 135.63 ? 501 LMT c O2' 1 ? ? +55522 HETATM O O3' . LMT FK 37 . ? -24.563 -7.145 27.073 1.00 127.24 ? 501 LMT c O3' 1 ? ? +55523 HETATM O O5' . LMT FK 37 . ? -26.614 -6.875 23.443 1.00 131.95 ? 501 LMT c O5' 1 ? ? +55524 HETATM O O6' . LMT FK 37 . ? -26.526 -9.961 23.225 1.00 127.89 ? 501 LMT c O6' 1 ? ? +55525 HETATM C C1 . LMT FK 37 . ? -27.840 -4.090 23.003 1.00 126.12 ? 501 LMT c C1 1 ? ? +55526 HETATM C C2 . LMT FK 37 . ? -29.086 -3.260 23.172 1.00 127.78 ? 501 LMT c C2 1 ? ? +55527 HETATM C C3 . LMT FK 37 . ? -28.814 -1.767 23.248 1.00 129.95 ? 501 LMT c C3 1 ? ? +55528 HETATM C C4 . LMT FK 37 . ? -29.351 -0.975 22.069 1.00 132.80 ? 501 LMT c C4 1 ? ? +55529 HETATM C C5 . LMT FK 37 . ? -28.402 0.080 21.526 1.00 135.74 ? 501 LMT c C5 1 ? ? +55530 HETATM C C6 . LMT FK 37 . ? -29.060 1.390 21.150 1.00 139.31 ? 501 LMT c C6 1 ? ? +55531 HETATM C C7 . LMT FK 37 . ? -29.821 1.362 19.843 1.00 141.50 ? 501 LMT c C7 1 ? ? +55532 HETATM C C8 . LMT FK 37 . ? -30.332 2.717 19.399 1.00 142.56 ? 501 LMT c C8 1 ? ? +55533 HETATM C C9 . LMT FK 37 . ? -31.389 2.674 18.316 1.00 140.35 ? 501 LMT c C9 1 ? ? +55534 HETATM C C10 . LMT FK 37 . ? -31.527 3.964 17.537 1.00 137.27 ? 501 LMT c C10 1 ? ? +55535 HETATM C C11 . LMT FK 37 . ? -32.503 3.922 16.386 1.00 133.89 ? 501 LMT c C11 1 ? ? +55536 HETATM C C12 . LMT FK 37 . ? -31.845 3.948 15.024 1.00 130.68 ? 501 LMT c C12 1 ? ? +55537 HETATM C C1 . GOL FL 38 . ? -4.439 45.762 0.015 1.00 88.15 ? 527 GOL c C1 1 ? ? +55538 HETATM O O1 . GOL FL 38 . ? -4.176 46.499 1.208 1.00 89.36 ? 527 GOL c O1 1 ? ? +55539 HETATM C C2 . GOL FL 38 . ? -5.904 45.385 -0.091 1.00 87.71 ? 527 GOL c C2 1 ? ? +55540 HETATM O O2 . GOL FL 38 . ? -6.707 46.474 0.366 1.00 87.77 ? 527 GOL c O2 1 ? ? +55541 HETATM C C3 . GOL FL 38 . ? -6.324 44.978 -1.492 1.00 86.83 ? 527 GOL c C3 1 ? ? +55542 HETATM O O3 . GOL FL 38 . ? -6.930 43.686 -1.514 1.00 85.45 ? 527 GOL c O3 1 ? ? +55543 HETATM C C1 A GOL FM 38 . ? 13.742 -18.657 12.878 0.40 118.13 ? 801 GOL l C1 1 ? ? +55544 HETATM C C1 B GOL FM 38 . ? 13.540 -18.730 12.991 0.60 107.32 ? 801 GOL l C1 1 ? ? +55545 HETATM O O1 A GOL FM 38 . ? 12.875 -18.277 13.944 0.40 119.49 ? 801 GOL l O1 1 ? ? +55546 HETATM O O1 B GOL FM 38 . ? 12.517 -18.378 13.921 0.60 108.05 ? 801 GOL l O1 1 ? ? +55547 HETATM C C2 A GOL FM 38 . ? 13.846 -17.574 11.824 0.40 116.41 ? 801 GOL l C2 1 ? ? +55548 HETATM C C2 B GOL FM 38 . ? 13.831 -17.608 12.015 0.60 105.09 ? 801 GOL l C2 1 ? ? +55549 HETATM O O2 A GOL FM 38 . ? 14.918 -17.873 10.931 0.40 114.29 ? 801 GOL l O2 1 ? ? +55550 HETATM O O2 B GOL FM 38 . ? 15.046 -17.881 11.318 0.60 102.64 ? 801 GOL l O2 1 ? ? +55551 HETATM C C3 A GOL FM 38 . ? 12.565 -17.381 11.039 0.40 115.16 ? 801 GOL l C3 1 ? ? +55552 HETATM C C3 B GOL FM 38 . ? 12.710 -17.375 11.021 0.60 103.14 ? 801 GOL l C3 1 ? ? +55553 HETATM O O3 A GOL FM 38 . ? 12.506 -16.091 10.435 0.40 112.74 ? 801 GOL l O3 1 ? ? +55554 HETATM O O3 B GOL FM 38 . ? 12.882 -16.152 10.309 0.60 98.41 ? 801 GOL l O3 1 ? ? +55555 HETATM MG MG A CLA FN 33 . ? 24.929 -38.440 -40.584 0.40 45.61 ? 405 CLA A MG 1 ? ? +55556 HETATM MG MG B CLA FN 33 . ? 24.920 -38.634 -40.451 0.60 46.88 ? 405 CLA A MG 1 ? ? +55557 HETATM C CHA A CLA FN 33 . ? 22.102 -38.316 -38.630 0.40 44.87 ? 405 CLA A CHA 1 ? ? +55558 HETATM C CHA B CLA FN 33 . ? 22.070 -38.332 -38.598 0.60 45.37 ? 405 CLA A CHA 1 ? ? +55559 HETATM C CHB A CLA FN 33 . ? 26.764 -37.711 -37.777 0.40 45.50 ? 405 CLA A CHB 1 ? ? +55560 HETATM C CHB B CLA FN 33 . ? 26.766 -37.770 -37.744 0.60 46.13 ? 405 CLA A CHB 1 ? ? +55561 HETATM C CHC A CLA FN 33 . ? 27.853 -40.052 -41.873 0.40 46.11 ? 405 CLA A CHC 1 ? ? +55562 HETATM C CHC B CLA FN 33 . ? 27.808 -40.244 -41.769 0.60 46.61 ? 405 CLA A CHC 1 ? ? +55563 HETATM C CHD A CLA FN 33 . ? 23.052 -40.471 -42.929 0.40 45.43 ? 405 CLA A CHD 1 ? ? +55564 HETATM C CHD B CLA FN 33 . ? 22.999 -40.550 -42.859 0.60 45.82 ? 405 CLA A CHD 1 ? ? +55565 HETATM N NA A CLA FN 33 . ? 24.538 -38.153 -38.623 0.40 45.33 ? 405 CLA A NA 1 ? ? +55566 HETATM N NA B CLA FN 33 . ? 24.513 -38.248 -38.529 0.60 46.12 ? 405 CLA A NA 1 ? ? +55567 HETATM C C1A A CLA FN 33 . ? 23.394 -38.078 -38.006 0.40 45.11 ? 405 CLA A C1A 1 ? ? +55568 HETATM C C1A B CLA FN 33 . ? 23.359 -38.120 -37.951 0.60 45.74 ? 405 CLA A C1A 1 ? ? +55569 HETATM C C2A A CLA FN 33 . ? 23.410 -37.489 -36.627 0.40 45.12 ? 405 CLA A C2A 1 ? ? +55570 HETATM C C2A B CLA FN 33 . ? 23.391 -37.517 -36.584 0.60 45.78 ? 405 CLA A C2A 1 ? ? +55571 HETATM C C3A A CLA FN 33 . ? 24.843 -37.063 -36.512 0.40 45.19 ? 405 CLA A C3A 1 ? ? +55572 HETATM C C3A B CLA FN 33 . ? 24.835 -37.102 -36.457 0.60 45.87 ? 405 CLA A C3A 1 ? ? +55573 HETATM C C4A A CLA FN 33 . ? 25.444 -37.703 -37.721 0.40 45.39 ? 405 CLA A C4A 1 ? ? +55574 HETATM C C4A B CLA FN 33 . ? 25.438 -37.763 -37.657 0.60 46.12 ? 405 CLA A C4A 1 ? ? +55575 HETATM C CMA A CLA FN 33 . ? 25.020 -35.559 -36.610 0.40 45.00 ? 405 CLA A CMA 1 ? ? +55576 HETATM C CMA B CLA FN 33 . ? 25.041 -35.598 -36.523 0.60 45.65 ? 405 CLA A CMA 1 ? ? +55577 HETATM C CAA A CLA FN 33 . ? 23.057 -38.478 -35.534 0.40 45.41 ? 405 CLA A CAA 1 ? ? +55578 HETATM C CAA B CLA FN 33 . ? 23.002 -38.515 -35.512 0.60 46.07 ? 405 CLA A CAA 1 ? ? +55579 HETATM C CBA A CLA FN 33 . ? 23.723 -39.792 -35.884 0.40 45.89 ? 405 CLA A CBA 1 ? ? +55580 HETATM C CBA B CLA FN 33 . ? 23.719 -39.836 -35.754 0.60 46.57 ? 405 CLA A CBA 1 ? ? +55581 HETATM C CGA A CLA FN 33 . ? 23.755 -40.756 -34.731 0.40 46.33 ? 405 CLA A CGA 1 ? ? +55582 HETATM C CGA B CLA FN 33 . ? 23.624 -40.822 -34.624 0.60 47.06 ? 405 CLA A CGA 1 ? ? +55583 HETATM O O1A A CLA FN 33 . ? 23.255 -40.504 -33.637 0.40 46.36 ? 405 CLA A O1A 1 ? ? +55584 HETATM O O1A B CLA FN 33 . ? 23.009 -40.634 -33.568 0.60 47.05 ? 405 CLA A O1A 1 ? ? +55585 HETATM O O2A A CLA FN 33 . ? 24.389 -42.038 -34.963 0.40 46.97 ? 405 CLA A O2A 1 ? ? +55586 HETATM O O2A B CLA FN 33 . ? 24.305 -42.072 -34.886 0.60 47.76 ? 405 CLA A O2A 1 ? ? +55587 HETATM N NB A CLA FN 33 . ? 26.890 -38.834 -39.949 0.40 45.82 ? 405 CLA A NB 1 ? ? +55588 HETATM N NB B CLA FN 33 . ? 26.899 -38.994 -39.861 0.60 46.60 ? 405 CLA A NB 1 ? ? +55589 HETATM C C1B A CLA FN 33 . ? 27.508 -38.376 -38.829 0.40 45.75 ? 405 CLA A C1B 1 ? ? +55590 HETATM C C1B B CLA FN 33 . ? 27.515 -38.466 -38.779 0.60 46.39 ? 405 CLA A C1B 1 ? ? +55591 HETATM C C2B A CLA FN 33 . ? 28.949 -38.694 -38.616 0.40 46.07 ? 405 CLA A C2B 1 ? ? +55592 HETATM C C2B B CLA FN 33 . ? 28.970 -38.734 -38.592 0.60 46.65 ? 405 CLA A C2B 1 ? ? +55593 HETATM C C3B A CLA FN 33 . ? 29.238 -39.409 -39.841 0.40 46.26 ? 405 CLA A C3B 1 ? ? +55594 HETATM C C3B B CLA FN 33 . ? 29.266 -39.497 -39.790 0.60 46.85 ? 405 CLA A C3B 1 ? ? +55595 HETATM C C4B A CLA FN 33 . ? 27.962 -39.383 -40.592 0.40 46.01 ? 405 CLA A C4B 1 ? ? +55596 HETATM C C4B B CLA FN 33 . ? 27.969 -39.540 -40.512 0.60 46.59 ? 405 CLA A C4B 1 ? ? +55597 HETATM C CMB A CLA FN 33 . ? 29.870 -38.363 -37.465 0.40 46.16 ? 405 CLA A CMB 1 ? ? +55598 HETATM C CMB B CLA FN 33 . ? 29.896 -38.325 -37.471 0.60 46.66 ? 405 CLA A CMB 1 ? ? +55599 HETATM C CAB A CLA FN 33 . ? 30.582 -39.930 -40.221 0.40 46.66 ? 405 CLA A CAB 1 ? ? +55600 HETATM C CAB B CLA FN 33 . ? 30.652 -39.957 -40.130 0.60 47.26 ? 405 CLA A CAB 1 ? ? +55601 HETATM C CBB A CLA FN 33 . ? 30.848 -40.340 -41.449 0.40 46.79 ? 405 CLA A CBB 1 ? ? +55602 HETATM C CBB B CLA FN 33 . ? 31.046 -40.310 -41.346 0.60 47.37 ? 405 CLA A CBB 1 ? ? +55603 HETATM N NC A CLA FN 33 . ? 25.340 -39.915 -41.990 0.40 45.69 ? 405 CLA A NC 1 ? ? +55604 HETATM N NC B CLA FN 33 . ? 25.292 -40.078 -41.884 0.60 46.26 ? 405 CLA A NC 1 ? ? +55605 HETATM C C1C A CLA FN 33 . ? 26.552 -40.372 -42.465 0.40 46.00 ? 405 CLA A C1C 1 ? ? +55606 HETATM C C1C B CLA FN 33 . ? 26.501 -40.532 -42.362 0.60 46.51 ? 405 CLA A C1C 1 ? ? +55607 HETATM C C2C A CLA FN 33 . ? 26.526 -41.360 -43.577 0.40 46.11 ? 405 CLA A C2C 1 ? ? +55608 HETATM C C2C B CLA FN 33 . ? 26.484 -41.468 -43.511 0.60 46.46 ? 405 CLA A C2C 1 ? ? +55609 HETATM C C3C A CLA FN 33 . ? 25.113 -41.445 -43.854 0.40 45.87 ? 405 CLA A C3C 1 ? ? +55610 HETATM C C3C B CLA FN 33 . ? 25.074 -41.520 -43.810 0.60 46.14 ? 405 CLA A C3C 1 ? ? +55611 HETATM C C4C A CLA FN 33 . ? 24.512 -40.509 -42.907 0.40 45.65 ? 405 CLA A C4C 1 ? ? +55612 HETATM C C4C B CLA FN 33 . ? 24.463 -40.625 -42.829 0.60 46.04 ? 405 CLA A C4C 1 ? ? +55613 HETATM C CMC A CLA FN 33 . ? 27.612 -42.098 -44.298 0.40 46.40 ? 405 CLA A CMC 1 ? ? +55614 HETATM C CMC B CLA FN 33 . ? 27.585 -42.173 -44.239 0.60 46.68 ? 405 CLA A CMC 1 ? ? +55615 HETATM C CAC A CLA FN 33 . ? 24.454 -42.216 -44.939 0.40 45.96 ? 405 CLA A CAC 1 ? ? +55616 HETATM C CAC B CLA FN 33 . ? 24.450 -42.250 -44.939 0.60 46.12 ? 405 CLA A CAC 1 ? ? +55617 HETATM C CBC A CLA FN 33 . ? 24.785 -41.335 -46.146 0.40 45.91 ? 405 CLA A CBC 1 ? ? +55618 HETATM C CBC B CLA FN 33 . ? 24.777 -41.353 -46.144 0.60 46.02 ? 405 CLA A CBC 1 ? ? +55619 HETATM N ND A CLA FN 33 . ? 23.165 -39.509 -40.614 0.40 45.36 ? 405 CLA A ND 1 ? ? +55620 HETATM N ND B CLA FN 33 . ? 23.092 -39.587 -40.554 0.60 46.02 ? 405 CLA A ND 1 ? ? +55621 HETATM C C1D A CLA FN 33 . ? 22.377 -39.871 -41.814 0.40 45.19 ? 405 CLA A C1D 1 ? ? +55622 HETATM C C1D B CLA FN 33 . ? 22.322 -39.922 -41.768 0.60 45.63 ? 405 CLA A C1D 1 ? ? +55623 HETATM C C2D A CLA FN 33 . ? 20.894 -39.679 -41.699 0.40 45.02 ? 405 CLA A C2D 1 ? ? +55624 HETATM C C2D B CLA FN 33 . ? 20.842 -39.696 -41.671 0.60 45.37 ? 405 CLA A C2D 1 ? ? +55625 HETATM C C3D A CLA FN 33 . ? 20.863 -39.022 -40.389 0.40 44.87 ? 405 CLA A C3D 1 ? ? +55626 HETATM C C3D B CLA FN 33 . ? 20.816 -39.026 -40.368 0.60 45.31 ? 405 CLA A C3D 1 ? ? +55627 HETATM C C4D A CLA FN 33 . ? 22.119 -38.898 -39.935 0.40 44.98 ? 405 CLA A C4D 1 ? ? +55628 HETATM C C4D B CLA FN 33 . ? 22.068 -38.925 -39.899 0.60 45.48 ? 405 CLA A C4D 1 ? ? +55629 HETATM C CMD A CLA FN 33 . ? 19.678 -39.963 -42.548 0.40 44.92 ? 405 CLA A CMD 1 ? ? +55630 HETATM C CMD B CLA FN 33 . ? 19.636 -39.961 -42.537 0.60 45.14 ? 405 CLA A CMD 1 ? ? +55631 HETATM C CAD A CLA FN 33 . ? 19.939 -38.413 -39.407 0.40 44.68 ? 405 CLA A CAD 1 ? ? +55632 HETATM C CAD B CLA FN 33 . ? 19.908 -38.386 -39.399 0.60 45.12 ? 405 CLA A CAD 1 ? ? +55633 HETATM O OBD A CLA FN 33 . ? 18.680 -38.316 -39.512 0.40 44.64 ? 405 CLA A OBD 1 ? ? +55634 HETATM O OBD B CLA FN 33 . ? 18.661 -38.250 -39.503 0.60 45.18 ? 405 CLA A OBD 1 ? ? +55635 HETATM C CBD A CLA FN 33 . ? 20.724 -37.896 -38.247 0.40 44.67 ? 405 CLA A CBD 1 ? ? +55636 HETATM C CBD B CLA FN 33 . ? 20.696 -37.875 -38.241 0.60 45.12 ? 405 CLA A CBD 1 ? ? +55637 HETATM C CGD A CLA FN 33 . ? 20.581 -36.401 -38.177 0.40 44.31 ? 405 CLA A CGD 1 ? ? +55638 HETATM C CGD B CLA FN 33 . ? 20.568 -36.376 -38.201 0.60 44.63 ? 405 CLA A CGD 1 ? ? +55639 HETATM O O1D A CLA FN 33 . ? 20.618 -35.695 -39.167 0.40 44.17 ? 405 CLA A O1D 1 ? ? +55640 HETATM O O1D B CLA FN 33 . ? 20.680 -35.672 -39.187 0.60 44.41 ? 405 CLA A O1D 1 ? ? +55641 HETATM O O2D A CLA FN 33 . ? 20.376 -35.725 -36.924 0.40 44.19 ? 405 CLA A O2D 1 ? ? +55642 HETATM O O2D B CLA FN 33 . ? 20.275 -35.704 -36.968 0.60 44.42 ? 405 CLA A O2D 1 ? ? +55643 HETATM C CED A CLA FN 33 . ? 20.421 -34.299 -36.951 0.40 44.06 ? 405 CLA A CED 1 ? ? +55644 HETATM C CED B CLA FN 33 . ? 20.276 -34.278 -36.983 0.60 44.26 ? 405 CLA A CED 1 ? ? +55645 HETATM C C1 A CLA FN 33 . ? 24.588 -42.935 -33.866 0.40 47.54 ? 405 CLA A C1 1 ? ? +55646 HETATM C C1 B CLA FN 33 . ? 24.542 -43.015 -33.834 0.60 48.45 ? 405 CLA A C1 1 ? ? +55647 HETATM C C2 A CLA FN 33 . ? 25.871 -42.582 -33.142 0.40 47.86 ? 405 CLA A C2 1 ? ? +55648 HETATM C C2 B CLA FN 33 . ? 25.825 -42.674 -33.097 0.60 48.80 ? 405 CLA A C2 1 ? ? +55649 HETATM C C3 A CLA FN 33 . ? 25.853 -42.194 -31.856 0.40 48.19 ? 405 CLA A C3 1 ? ? +55650 HETATM C C3 B CLA FN 33 . ? 25.846 -42.221 -31.828 0.60 49.28 ? 405 CLA A C3 1 ? ? +55651 HETATM C C4 A CLA FN 33 . ? 24.545 -42.112 -31.114 0.40 48.02 ? 405 CLA A C4 1 ? ? +55652 HETATM C C4 B CLA FN 33 . ? 24.577 -42.020 -31.035 0.60 49.09 ? 405 CLA A C4 1 ? ? +55653 HETATM C C5 A CLA FN 33 . ? 27.147 -41.833 -31.152 0.40 48.65 ? 405 CLA A C5 1 ? ? +55654 HETATM C C5 B CLA FN 33 . ? 27.175 -41.885 -31.173 0.60 49.89 ? 405 CLA A C5 1 ? ? +55655 HETATM C C6 A CLA FN 33 . ? 27.278 -40.314 -31.043 0.40 48.68 ? 405 CLA A C6 1 ? ? +55656 HETATM C C6 B CLA FN 33 . ? 27.308 -40.370 -31.035 0.60 50.11 ? 405 CLA A C6 1 ? ? +55657 HETATM C C7 A CLA FN 33 . ? 27.585 -39.757 -32.423 0.40 48.90 ? 405 CLA A C7 1 ? ? +55658 HETATM C C7 B CLA FN 33 . ? 27.704 -39.751 -32.367 0.60 50.63 ? 405 CLA A C7 1 ? ? +55659 HETATM C C8 A CLA FN 33 . ? 27.187 -38.308 -32.749 0.40 48.94 ? 405 CLA A C8 1 ? ? +55660 HETATM C C8 B CLA FN 33 . ? 27.250 -38.318 -32.707 0.60 50.95 ? 405 CLA A C8 1 ? ? +55661 HETATM C C9 A CLA FN 33 . ? 26.027 -37.584 -32.071 0.40 48.72 ? 405 CLA A C9 1 ? ? +55662 HETATM C C9 B CLA FN 33 . ? 26.125 -37.570 -31.986 0.60 50.87 ? 405 CLA A C9 1 ? ? +55663 HETATM C C10 A CLA FN 33 . ? 28.172 -37.618 -33.690 0.40 49.23 ? 405 CLA A C10 1 ? ? +55664 HETATM C C10 B CLA FN 33 . ? 28.147 -37.642 -33.744 0.60 51.39 ? 405 CLA A C10 1 ? ? +55665 HETATM C C11 A CLA FN 33 . ? 28.467 -36.134 -33.480 0.40 49.36 ? 405 CLA A C11 1 ? ? +55666 HETATM C C11 B CLA FN 33 . ? 28.455 -36.166 -33.541 0.60 51.68 ? 405 CLA A C11 1 ? ? +55667 HETATM C C12 A CLA FN 33 . ? 28.873 -35.509 -34.822 0.40 49.56 ? 405 CLA A C12 1 ? ? +55668 HETATM C C12 B CLA FN 33 . ? 28.916 -35.555 -34.867 0.60 52.03 ? 405 CLA A C12 1 ? ? +55669 HETATM C C13 A CLA FN 33 . ? 29.377 -34.078 -34.676 0.40 49.80 ? 405 CLA A C13 1 ? ? +55670 HETATM C C13 B CLA FN 33 . ? 29.372 -34.114 -34.693 0.60 52.50 ? 405 CLA A C13 1 ? ? +55671 HETATM C C14 A CLA FN 33 . ? 29.664 -33.467 -36.039 0.40 49.94 ? 405 CLA A C14 1 ? ? +55672 HETATM C C14 B CLA FN 33 . ? 29.623 -33.480 -36.052 0.60 52.81 ? 405 CLA A C14 1 ? ? +55673 HETATM C C15 A CLA FN 33 . ? 30.659 -34.063 -33.845 0.40 50.27 ? 405 CLA A C15 1 ? ? +55674 HETATM C C15 B CLA FN 33 . ? 30.659 -34.068 -33.860 0.60 53.08 ? 405 CLA A C15 1 ? ? +55675 HETATM C C16 A CLA FN 33 . ? 31.115 -32.641 -33.560 0.40 50.33 ? 405 CLA A C16 1 ? ? +55676 HETATM C C16 B CLA FN 33 . ? 31.035 -32.637 -33.527 0.60 53.15 ? 405 CLA A C16 1 ? ? +55677 HETATM C C17 A CLA FN 33 . ? 31.747 -32.564 -32.175 0.40 50.61 ? 405 CLA A C17 1 ? ? +55678 HETATM C C17 B CLA FN 33 . ? 31.767 -32.550 -32.190 0.60 53.47 ? 405 CLA A C17 1 ? ? +55679 HETATM C C18 A CLA FN 33 . ? 33.203 -32.161 -32.251 0.40 50.93 ? 405 CLA A C18 1 ? ? +55680 HETATM C C18 B CLA FN 33 . ? 33.224 -32.168 -32.285 0.60 53.66 ? 405 CLA A C18 1 ? ? +55681 HETATM C C19 A CLA FN 33 . ? 34.173 -32.521 -31.136 0.40 51.39 ? 405 CLA A C19 1 ? ? +55682 HETATM C C19 B CLA FN 33 . ? 34.182 -32.594 -31.190 0.60 54.25 ? 405 CLA A C19 1 ? ? +55683 HETATM C C20 A CLA FN 33 . ? 33.739 -31.606 -33.561 0.40 51.11 ? 405 CLA A C20 1 ? ? +55684 HETATM C C20 B CLA FN 33 . ? 33.793 -31.507 -33.528 0.60 53.92 ? 405 CLA A C20 1 ? ? +55685 HETATM MG MG . CLA FO 33 . ? 2.784 -43.015 -15.180 1.00 47.14 ? 611 CLA B MG 1 ? ? +55686 HETATM C CHA . CLA FO 33 . ? 5.665 -43.457 -13.327 1.00 47.26 ? 611 CLA B CHA 1 ? ? +55687 HETATM C CHB . CLA FO 33 . ? 1.287 -41.654 -12.446 1.00 47.70 ? 611 CLA B CHB 1 ? ? +55688 HETATM C CHC . CLA FO 33 . ? 0.357 -41.394 -17.186 1.00 46.76 ? 611 CLA B CHC 1 ? ? +55689 HETATM C CHD . CLA FO 33 . ? 4.766 -43.345 -18.159 1.00 46.45 ? 611 CLA B CHD 1 ? ? +55690 HETATM N NA . CLA FO 33 . ? 3.371 -42.506 -13.303 1.00 47.39 ? 611 CLA B NA 1 ? ? +55691 HETATM C C1A . CLA FO 33 . ? 4.485 -42.837 -12.700 1.00 47.49 ? 611 CLA B C1A 1 ? ? +55692 HETATM C C2A . CLA FO 33 . ? 4.501 -42.691 -11.205 1.00 47.94 ? 611 CLA B C2A 1 ? ? +55693 HETATM C C3A . CLA FO 33 . ? 3.073 -42.224 -10.942 1.00 47.98 ? 611 CLA B C3A 1 ? ? +55694 HETATM C C4A . CLA FO 33 . ? 2.534 -42.073 -12.328 1.00 47.64 ? 611 CLA B C4A 1 ? ? +55695 HETATM C CMA . CLA FO 33 . ? 2.278 -43.255 -10.146 1.00 48.57 ? 611 CLA B CMA 1 ? ? +55696 HETATM C CAA . CLA FO 33 . ? 5.605 -41.759 -10.680 1.00 47.86 ? 611 CLA B CAA 1 ? ? +55697 HETATM C CBA . CLA FO 33 . ? 5.657 -40.474 -11.487 1.00 47.61 ? 611 CLA B CBA 1 ? ? +55698 HETATM C CGA . CLA FO 33 . ? 6.704 -39.464 -11.090 1.00 47.75 ? 611 CLA B CGA 1 ? ? +55699 HETATM O O1A . CLA FO 33 . ? 7.181 -39.330 -9.968 1.00 48.02 ? 611 CLA B O1A 1 ? ? +55700 HETATM O O2A . CLA FO 33 . ? 7.143 -38.592 -12.147 1.00 47.86 ? 611 CLA B O2A 1 ? ? +55701 HETATM N NB . CLA FO 33 . ? 1.154 -41.733 -14.896 1.00 47.22 ? 611 CLA B NB 1 ? ? +55702 HETATM C C1B . CLA FO 33 . ? 0.608 -41.371 -13.714 1.00 47.44 ? 611 CLA B C1B 1 ? ? +55703 HETATM C C2B . CLA FO 33 . ? -0.635 -40.548 -13.740 1.00 47.48 ? 611 CLA B C2B 1 ? ? +55704 HETATM C C3B . CLA FO 33 . ? -0.855 -40.448 -15.175 1.00 47.18 ? 611 CLA B C3B 1 ? ? +55705 HETATM C C4B . CLA FO 33 . ? 0.224 -41.265 -15.755 1.00 47.00 ? 611 CLA B C4B 1 ? ? +55706 HETATM C CMB . CLA FO 33 . ? -1.405 -39.981 -12.579 1.00 47.73 ? 611 CLA B CMB 1 ? ? +55707 HETATM C CAB . CLA FO 33 . ? -2.024 -39.891 -15.919 1.00 47.17 ? 611 CLA B CAB 1 ? ? +55708 HETATM C CBB . CLA FO 33 . ? -3.223 -39.815 -15.366 1.00 47.48 ? 611 CLA B CBB 1 ? ? +55709 HETATM N NC . CLA FO 33 . ? 2.634 -42.442 -17.160 1.00 46.59 ? 611 CLA B NC 1 ? ? +55710 HETATM C C1C . CLA FO 33 . ? 1.571 -41.891 -17.836 1.00 46.60 ? 611 CLA B C1C 1 ? ? +55711 HETATM C C2C . CLA FO 33 . ? 1.711 -41.716 -19.306 1.00 46.25 ? 611 CLA B C2C 1 ? ? +55712 HETATM C C3C . CLA FO 33 . ? 3.000 -42.315 -19.554 1.00 46.27 ? 611 CLA B C3C 1 ? ? +55713 HETATM C C4C . CLA FO 33 . ? 3.417 -42.770 -18.223 1.00 46.47 ? 611 CLA B C4C 1 ? ? +55714 HETATM C CMC . CLA FO 33 . ? 0.803 -41.096 -20.316 1.00 46.09 ? 611 CLA B CMC 1 ? ? +55715 HETATM C CAC . CLA FO 33 . ? 3.728 -42.486 -20.863 1.00 46.18 ? 611 CLA B CAC 1 ? ? +55716 HETATM C CBC . CLA FO 33 . ? 4.700 -41.386 -21.119 1.00 45.84 ? 611 CLA B CBC 1 ? ? +55717 HETATM N ND . CLA FO 33 . ? 4.786 -43.008 -15.662 1.00 46.86 ? 611 CLA B ND 1 ? ? +55718 HETATM C C1D . CLA FO 33 . ? 5.388 -43.575 -16.881 1.00 46.63 ? 611 CLA B C1D 1 ? ? +55719 HETATM C C2D . CLA FO 33 . ? 6.711 -44.196 -16.655 1.00 46.71 ? 611 CLA B C2D 1 ? ? +55720 HETATM C C3D . CLA FO 33 . ? 6.770 -44.133 -15.198 1.00 46.93 ? 611 CLA B C3D 1 ? ? +55721 HETATM C C4D . CLA FO 33 . ? 5.640 -43.596 -14.747 1.00 47.00 ? 611 CLA B C4D 1 ? ? +55722 HETATM C CMD . CLA FO 33 . ? 7.778 -44.780 -17.524 1.00 46.58 ? 611 CLA B CMD 1 ? ? +55723 HETATM C CAD . CLA FO 33 . ? 7.617 -44.496 -14.048 1.00 47.18 ? 611 CLA B CAD 1 ? ? +55724 HETATM O OBD . CLA FO 33 . ? 8.766 -45.086 -14.106 1.00 47.30 ? 611 CLA B OBD 1 ? ? +55725 HETATM C CBD . CLA FO 33 . ? 6.917 -44.069 -12.783 1.00 47.31 ? 611 CLA B CBD 1 ? ? +55726 HETATM C CGD . CLA FO 33 . ? 6.749 -45.258 -11.884 1.00 47.70 ? 611 CLA B CGD 1 ? ? +55727 HETATM O O1D . CLA FO 33 . ? 6.232 -46.276 -12.311 1.00 47.92 ? 611 CLA B O1D 1 ? ? +55728 HETATM O O2D . CLA FO 33 . ? 7.238 -45.243 -10.508 1.00 47.81 ? 611 CLA B O2D 1 ? ? +55729 HETATM C CED . CLA FO 33 . ? 7.373 -46.471 -9.807 1.00 48.31 ? 611 CLA B CED 1 ? ? +55730 HETATM C C1 . CLA FO 33 . ? 8.022 -37.515 -11.858 1.00 48.17 ? 611 CLA B C1 1 ? ? +55731 HETATM C C2 . CLA FO 33 . ? 8.207 -36.725 -13.131 1.00 48.20 ? 611 CLA B C2 1 ? ? +55732 HETATM C C3 . CLA FO 33 . ? 8.931 -35.597 -13.160 1.00 48.59 ? 611 CLA B C3 1 ? ? +55733 HETATM C C4 . CLA FO 33 . ? 9.564 -35.095 -11.898 1.00 48.83 ? 611 CLA B C4 1 ? ? +55734 HETATM C C5 . CLA FO 33 . ? 9.160 -34.761 -14.394 1.00 48.78 ? 611 CLA B C5 1 ? ? +55735 HETATM C C6 . CLA FO 33 . ? 8.589 -35.313 -15.692 1.00 49.40 ? 611 CLA B C6 1 ? ? +55736 HETATM C C7 . CLA FO 33 . ? 8.507 -34.135 -16.650 1.00 49.88 ? 611 CLA B C7 1 ? ? +55737 HETATM C C8 . CLA FO 33 . ? 8.303 -34.425 -18.140 1.00 50.75 ? 611 CLA B C8 1 ? ? +55738 HETATM C C9 . CLA FO 33 . ? 8.498 -35.830 -18.687 1.00 51.34 ? 611 CLA B C9 1 ? ? +55739 HETATM C C10 . CLA FO 33 . ? 7.757 -33.241 -19.013 1.00 51.39 ? 611 CLA B C10 1 ? ? +55740 HETATM C C11 . CLA FO 33 . ? 6.772 -32.262 -18.387 1.00 52.39 ? 611 CLA B C11 1 ? ? +55741 HETATM C C12 . CLA FO 33 . ? 5.305 -32.541 -18.683 1.00 53.16 ? 611 CLA B C12 1 ? ? +55742 HETATM C C13 . CLA FO 33 . ? 4.485 -31.268 -18.489 1.00 54.02 ? 611 CLA B C13 1 ? ? +55743 HETATM C C14 . CLA FO 33 . ? 4.904 -30.549 -17.213 1.00 54.65 ? 611 CLA B C14 1 ? ? +55744 HETATM C C15 . CLA FO 33 . ? 3.004 -31.588 -18.323 1.00 54.57 ? 611 CLA B C15 1 ? ? +55745 HETATM C C16 . CLA FO 33 . ? 2.345 -31.927 -19.640 1.00 55.02 ? 611 CLA B C16 1 ? ? +55746 HETATM C C17 . CLA FO 33 . ? 0.964 -32.428 -19.259 1.00 55.82 ? 611 CLA B C17 1 ? ? +55747 HETATM C C18 . CLA FO 33 . ? 0.155 -33.029 -20.381 1.00 56.48 ? 611 CLA B C18 1 ? ? +55748 HETATM C C19 . CLA FO 33 . ? 0.123 -32.307 -21.714 1.00 57.25 ? 611 CLA B C19 1 ? ? +55749 HETATM C C20 . CLA FO 33 . ? -0.367 -34.468 -20.265 1.00 57.05 ? 611 CLA B C20 1 ? ? +55750 HETATM MG MG . CLA FP 33 . ? 48.951 -54.524 -39.543 1.00 56.80 ? 506 CLA C MG 1 ? ? +55751 HETATM C CHA . CLA FP 33 . ? 51.376 -55.432 -37.178 1.00 57.77 ? 506 CLA C CHA 1 ? ? +55752 HETATM C CHB . CLA FP 33 . ? 47.396 -52.797 -37.038 1.00 55.88 ? 506 CLA C CHB 1 ? ? +55753 HETATM C CHC . CLA FP 33 . ? 47.359 -52.435 -41.927 1.00 55.97 ? 506 CLA C CHC 1 ? ? +55754 HETATM C CHD . CLA FP 33 . ? 51.434 -55.172 -42.096 1.00 58.16 ? 506 CLA C CHD 1 ? ? +55755 HETATM N NA . CLA FP 33 . ? 49.211 -54.273 -37.552 1.00 57.05 ? 506 CLA C NA 1 ? ? +55756 HETATM C C1A . CLA FP 33 . ? 50.112 -54.821 -36.765 1.00 57.40 ? 506 CLA C C1A 1 ? ? +55757 HETATM C C2A . CLA FP 33 . ? 49.659 -54.978 -35.338 1.00 57.55 ? 506 CLA C C2A 1 ? ? +55758 HETATM C C3A . CLA FP 33 . ? 48.335 -54.222 -35.333 1.00 56.69 ? 506 CLA C C3A 1 ? ? +55759 HETATM C C4A . CLA FP 33 . ? 48.294 -53.700 -36.732 1.00 56.51 ? 506 CLA C C4A 1 ? ? +55760 HETATM C CMA . CLA FP 33 . ? 47.165 -55.132 -35.050 1.00 56.37 ? 506 CLA C CMA 1 ? ? +55761 HETATM C CAA . CLA FP 33 . ? 50.623 -54.494 -34.261 1.00 58.21 ? 506 CLA C CAA 1 ? ? +55762 HETATM C CBA . CLA FP 33 . ? 50.948 -53.007 -34.287 1.00 58.33 ? 506 CLA C CBA 1 ? ? +55763 HETATM C CGA . CLA FP 33 . ? 51.870 -52.643 -35.414 1.00 59.19 ? 506 CLA C CGA 1 ? ? +55764 HETATM O O1A . CLA FP 33 . ? 52.979 -53.143 -35.547 1.00 60.13 ? 506 CLA C O1A 1 ? ? +55765 HETATM O O2A . CLA FP 33 . ? 51.427 -51.650 -36.343 1.00 59.73 ? 506 CLA C O2A 1 ? ? +55766 HETATM N NB . CLA FP 33 . ? 47.679 -52.893 -39.502 1.00 56.10 ? 506 CLA C NB 1 ? ? +55767 HETATM C C1B . CLA FP 33 . ? 47.069 -52.383 -38.400 1.00 55.79 ? 506 CLA C C1B 1 ? ? +55768 HETATM C C2B . CLA FP 33 . ? 46.088 -51.282 -38.594 1.00 55.29 ? 506 CLA C C2B 1 ? ? +55769 HETATM C C3B . CLA FP 33 . ? 46.088 -51.155 -40.034 1.00 55.55 ? 506 CLA C C3B 1 ? ? +55770 HETATM C C4B . CLA FP 33 . ? 47.036 -52.211 -40.513 1.00 55.88 ? 506 CLA C C4B 1 ? ? +55771 HETATM C CMB . CLA FP 33 . ? 45.289 -50.498 -37.582 1.00 54.78 ? 506 CLA C CMB 1 ? ? +55772 HETATM C CAB . CLA FP 33 . ? 45.191 -50.157 -40.688 1.00 55.85 ? 506 CLA C CAB 1 ? ? +55773 HETATM C CBB . CLA FP 33 . ? 44.990 -50.036 -41.987 1.00 56.29 ? 506 CLA C CBB 1 ? ? +55774 HETATM N NC . CLA FP 33 . ? 49.355 -53.905 -41.500 1.00 57.02 ? 506 CLA C NC 1 ? ? +55775 HETATM C C1C . CLA FP 33 . ? 48.549 -53.191 -42.342 1.00 56.78 ? 506 CLA C C1C 1 ? ? +55776 HETATM C C2C . CLA FP 33 . ? 49.010 -53.030 -43.747 1.00 57.08 ? 506 CLA C C2C 1 ? ? +55777 HETATM C C3C . CLA FP 33 . ? 50.221 -53.819 -43.800 1.00 57.67 ? 506 CLA C C3C 1 ? ? +55778 HETATM C C4C . CLA FP 33 . ? 50.268 -54.357 -42.422 1.00 57.59 ? 506 CLA C C4C 1 ? ? +55779 HETATM C CMC . CLA FP 33 . ? 48.361 -52.256 -44.866 1.00 56.81 ? 506 CLA C CMC 1 ? ? +55780 HETATM C CAC . CLA FP 33 . ? 51.066 -54.145 -45.007 1.00 58.48 ? 506 CLA C CAC 1 ? ? +55781 HETATM C CBC . CLA FP 33 . ? 52.346 -53.421 -45.257 1.00 59.21 ? 506 CLA C CBC 1 ? ? +55782 HETATM N ND . CLA FP 33 . ? 51.000 -54.900 -39.617 1.00 57.66 ? 506 CLA C ND 1 ? ? +55783 HETATM C C1D . CLA FP 33 . ? 51.777 -55.482 -40.720 1.00 58.13 ? 506 CLA C C1D 1 ? ? +55784 HETATM C C2D . CLA FP 33 . ? 53.029 -56.153 -40.247 1.00 58.75 ? 506 CLA C C2D 1 ? ? +55785 HETATM C C3D . CLA FP 33 . ? 52.799 -56.143 -38.797 1.00 58.58 ? 506 CLA C C3D 1 ? ? +55786 HETATM C C4D . CLA FP 33 . ? 51.607 -55.570 -38.572 1.00 57.90 ? 506 CLA C C4D 1 ? ? +55787 HETATM C CMD . CLA FP 33 . ? 54.235 -56.783 -40.879 1.00 59.49 ? 506 CLA C CMD 1 ? ? +55788 HETATM C CAD . CLA FP 33 . ? 53.396 -56.571 -37.500 1.00 58.87 ? 506 CLA C CAD 1 ? ? +55789 HETATM O OBD . CLA FP 33 . ? 54.488 -57.206 -37.256 1.00 59.33 ? 506 CLA C OBD 1 ? ? +55790 HETATM C CBD . CLA FP 33 . ? 52.437 -56.157 -36.430 1.00 58.30 ? 506 CLA C CBD 1 ? ? +55791 HETATM C CGD . CLA FP 33 . ? 51.915 -57.399 -35.763 1.00 58.08 ? 506 CLA C CGD 1 ? ? +55792 HETATM O O1D . CLA FP 33 . ? 51.871 -57.504 -34.551 1.00 58.11 ? 506 CLA C O1D 1 ? ? +55793 HETATM O O2D . CLA FP 33 . ? 51.482 -58.552 -36.507 1.00 57.79 ? 506 CLA C O2D 1 ? ? +55794 HETATM C CED . CLA FP 33 . ? 51.244 -59.727 -35.730 1.00 58.01 ? 506 CLA C CED 1 ? ? +55795 HETATM C C1 . CLA FP 33 . ? 52.047 -51.557 -37.602 1.00 61.21 ? 506 CLA C C1 1 ? ? +55796 HETATM C C2 . CLA FP 33 . ? 51.343 -50.540 -38.462 1.00 61.61 ? 506 CLA C C2 1 ? ? +55797 HETATM C C3 . CLA FP 33 . ? 51.428 -50.614 -39.803 1.00 63.36 ? 506 CLA C C3 1 ? ? +55798 HETATM C C4 . CLA FP 33 . ? 52.217 -51.712 -40.461 1.00 64.03 ? 506 CLA C C4 1 ? ? +55799 HETATM C C5 . CLA FP 33 . ? 50.760 -49.611 -40.705 1.00 64.49 ? 506 CLA C C5 1 ? ? +55800 HETATM C C6 . CLA FP 33 . ? 49.639 -48.853 -39.994 1.00 65.59 ? 506 CLA C C6 1 ? ? +55801 HETATM C C7 . CLA FP 33 . ? 48.863 -48.066 -41.049 1.00 67.20 ? 506 CLA C C7 1 ? ? +55802 HETATM C C8 . CLA FP 33 . ? 48.276 -46.710 -40.676 1.00 69.01 ? 506 CLA C C8 1 ? ? +55803 HETATM C C9 . CLA FP 33 . ? 46.964 -46.229 -41.216 1.00 68.88 ? 506 CLA C C9 1 ? ? +55804 HETATM C C10 . CLA FP 33 . ? 48.941 -45.726 -39.740 1.00 72.19 ? 506 CLA C C10 1 ? ? +55805 HETATM C C11 . CLA FP 33 . ? 49.799 -44.953 -40.720 1.00 75.02 ? 506 CLA C C11 1 ? ? +55806 HETATM C C12 . CLA FP 33 . ? 50.735 -43.966 -40.035 1.00 76.94 ? 506 CLA C C12 1 ? ? +55807 HETATM C C13 . CLA FP 33 . ? 51.662 -43.373 -41.090 1.00 77.68 ? 506 CLA C C13 1 ? ? +55808 HETATM C C14 . CLA FP 33 . ? 53.084 -43.424 -40.587 1.00 77.56 ? 506 CLA C C14 1 ? ? +55809 HETATM C C15 . CLA FP 33 . ? 51.198 -41.956 -41.442 1.00 79.01 ? 506 CLA C C15 1 ? ? +55810 HETATM C C16 . CLA FP 33 . ? 51.619 -41.544 -42.854 1.00 79.92 ? 506 CLA C C16 1 ? ? +55811 HETATM C C17 . CLA FP 33 . ? 51.014 -40.187 -43.211 1.00 80.06 ? 506 CLA C C17 1 ? ? +55812 HETATM C C18 . CLA FP 33 . ? 51.873 -39.289 -44.111 1.00 80.57 ? 506 CLA C C18 1 ? ? +55813 HETATM C C19 . CLA FP 33 . ? 53.228 -39.706 -44.677 1.00 82.47 ? 506 CLA C C19 1 ? ? +55814 HETATM C C20 . CLA FP 33 . ? 51.257 -37.960 -44.633 1.00 80.96 ? 506 CLA C C20 1 ? ? +55815 HETATM C C1 . HTG FQ 35 . ? 36.664 -45.138 -96.517 1.00 106.91 ? 202 HTG V C1 1 ? ? +55816 HETATM C C2 . HTG FQ 35 . ? 37.461 -45.760 -95.378 1.00 106.91 ? 202 HTG V C2 1 ? ? +55817 HETATM O O2 . HTG FQ 35 . ? 38.845 -45.709 -95.703 1.00 106.23 ? 202 HTG V O2 1 ? ? +55818 HETATM C C3 . HTG FQ 35 . ? 37.053 -47.217 -95.162 1.00 107.08 ? 202 HTG V C3 1 ? ? +55819 HETATM O O3 . HTG FQ 35 . ? 37.667 -47.708 -93.973 1.00 107.46 ? 202 HTG V O3 1 ? ? +55820 HETATM C C4 . HTG FQ 35 . ? 35.539 -47.386 -95.071 1.00 105.57 ? 202 HTG V C4 1 ? ? +55821 HETATM O O4 . HTG FQ 35 . ? 35.192 -48.771 -95.158 1.00 101.79 ? 202 HTG V O4 1 ? ? +55822 HETATM C C5 . HTG FQ 35 . ? 34.842 -46.630 -96.203 1.00 105.75 ? 202 HTG V C5 1 ? ? +55823 HETATM O O5 . HTG FQ 35 . ? 35.280 -45.260 -96.231 1.00 105.75 ? 202 HTG V O5 1 ? ? +55824 HETATM C C6 . HTG FQ 35 . ? 33.334 -46.603 -96.047 1.00 105.89 ? 202 HTG V C6 1 ? ? +55825 HETATM O O6 . HTG FQ 35 . ? 32.709 -46.077 -97.215 1.00 107.91 ? 202 HTG V O6 1 ? ? +55826 HETATM MG MG . CLA FR 33 . ? 44.627 -8.519 -23.628 1.00 50.44 ? 605 CLA b MG 1 ? ? +55827 HETATM C CHA . CLA FR 33 . ? 42.668 -5.708 -24.330 1.00 50.00 ? 605 CLA b CHA 1 ? ? +55828 HETATM C CHB . CLA FR 33 . ? 47.094 -7.133 -25.412 1.00 51.66 ? 605 CLA b CHB 1 ? ? +55829 HETATM C CHC . CLA FR 33 . ? 46.981 -10.409 -21.829 1.00 51.41 ? 605 CLA b CHC 1 ? ? +55830 HETATM C CHD . CLA FR 33 . ? 42.398 -9.090 -20.827 1.00 49.65 ? 605 CLA b CHD 1 ? ? +55831 HETATM N NA . CLA FR 33 . ? 44.853 -6.783 -24.645 1.00 50.77 ? 605 CLA b NA 1 ? ? +55832 HETATM C C1A . CLA FR 33 . ? 43.983 -5.851 -24.923 1.00 50.57 ? 605 CLA b C1A 1 ? ? +55833 HETATM C C2A . CLA FR 33 . ? 44.351 -4.848 -25.968 1.00 50.92 ? 605 CLA b C2A 1 ? ? +55834 HETATM C C3A . CLA FR 33 . ? 45.685 -5.405 -26.393 1.00 51.32 ? 605 CLA b C3A 1 ? ? +55835 HETATM C C4A . CLA FR 33 . ? 45.913 -6.519 -25.414 1.00 51.25 ? 605 CLA b C4A 1 ? ? +55836 HETATM C CMA . CLA FR 33 . ? 45.672 -5.906 -27.827 1.00 51.12 ? 605 CLA b CMA 1 ? ? +55837 HETATM C CAA . CLA FR 33 . ? 44.419 -3.419 -25.445 1.00 51.49 ? 605 CLA b CAA 1 ? ? +55838 HETATM C CBA . CLA FR 33 . ? 45.425 -3.286 -24.300 1.00 52.40 ? 605 CLA b CBA 1 ? ? +55839 HETATM C CGA . CLA FR 33 . ? 45.212 -2.059 -23.474 1.00 52.95 ? 605 CLA b CGA 1 ? ? +55840 HETATM O O1A . CLA FR 33 . ? 44.691 -1.038 -23.928 1.00 53.17 ? 605 CLA b O1A 1 ? ? +55841 HETATM O O2A . CLA FR 33 . ? 45.667 -2.160 -22.119 1.00 53.72 ? 605 CLA b O2A 1 ? ? +55842 HETATM N NB . CLA FR 33 . ? 46.680 -8.708 -23.578 1.00 51.28 ? 605 CLA b NB 1 ? ? +55843 HETATM C C1B . CLA FR 33 . ? 47.530 -8.158 -24.461 1.00 51.69 ? 605 CLA b C1B 1 ? ? +55844 HETATM C C2B . CLA FR 33 . ? 48.973 -8.498 -24.327 1.00 52.33 ? 605 CLA b C2B 1 ? ? +55845 HETATM C C3B . CLA FR 33 . ? 48.916 -9.462 -23.249 1.00 52.29 ? 605 CLA b C3B 1 ? ? +55846 HETATM C C4B . CLA FR 33 . ? 47.479 -9.573 -22.912 1.00 51.59 ? 605 CLA b C4B 1 ? ? +55847 HETATM C CMB . CLA FR 33 . ? 50.140 -8.016 -25.124 1.00 52.87 ? 605 CLA b CMB 1 ? ? +55848 HETATM C CAB . CLA FR 33 . ? 50.086 -10.191 -22.745 1.00 52.92 ? 605 CLA b CAB 1 ? ? +55849 HETATM C CBB . CLA FR 33 . ? 50.012 -11.238 -21.951 1.00 52.87 ? 605 CLA b CBB 1 ? ? +55850 HETATM N NC . CLA FR 33 . ? 44.691 -9.463 -21.772 1.00 50.50 ? 605 CLA b NC 1 ? ? +55851 HETATM C C1C . CLA FR 33 . ? 45.654 -10.262 -21.247 1.00 50.93 ? 605 CLA b C1C 1 ? ? +55852 HETATM C C2C . CLA FR 33 . ? 45.377 -10.908 -19.938 1.00 50.92 ? 605 CLA b C2C 1 ? ? +55853 HETATM C C3C . CLA FR 33 . ? 44.007 -10.509 -19.657 1.00 50.42 ? 605 CLA b C3C 1 ? ? +55854 HETATM C C4C . CLA FR 33 . ? 43.700 -9.710 -20.850 1.00 50.16 ? 605 CLA b C4C 1 ? ? +55855 HETATM C CMC . CLA FR 33 . ? 46.247 -11.779 -19.094 1.00 51.42 ? 605 CLA b CMC 1 ? ? +55856 HETATM C CAC . CLA FR 33 . ? 43.107 -10.871 -18.489 1.00 50.16 ? 605 CLA b CAC 1 ? ? +55857 HETATM C CBC . CLA FR 33 . ? 43.112 -9.859 -17.370 1.00 50.44 ? 605 CLA b CBC 1 ? ? +55858 HETATM N ND . CLA FR 33 . ? 43.134 -7.499 -22.614 1.00 50.09 ? 605 CLA b ND 1 ? ? +55859 HETATM C C1D . CLA FR 33 . ? 42.088 -8.048 -21.750 1.00 49.50 ? 605 CLA b C1D 1 ? ? +55860 HETATM C C2D . CLA FR 33 . ? 40.836 -7.262 -21.733 1.00 49.05 ? 605 CLA b C2D 1 ? ? +55861 HETATM C C3D . CLA FR 33 . ? 41.111 -6.355 -22.833 1.00 49.24 ? 605 CLA b C3D 1 ? ? +55862 HETATM C C4D . CLA FR 33 . ? 42.314 -6.662 -23.334 1.00 49.70 ? 605 CLA b C4D 1 ? ? +55863 HETATM C CMD . CLA FR 33 . ? 39.543 -7.285 -20.984 1.00 48.59 ? 605 CLA b CMD 1 ? ? +55864 HETATM C CAD . CLA FR 33 . ? 40.521 -5.245 -23.626 1.00 49.13 ? 605 CLA b CAD 1 ? ? +55865 HETATM O OBD . CLA FR 33 . ? 39.370 -4.733 -23.493 1.00 48.74 ? 605 CLA b OBD 1 ? ? +55866 HETATM C CBD . CLA FR 33 . ? 41.516 -4.830 -24.665 1.00 49.62 ? 605 CLA b CBD 1 ? ? +55867 HETATM C CGD . CLA FR 33 . ? 40.996 -5.222 -26.019 1.00 49.25 ? 605 CLA b CGD 1 ? ? +55868 HETATM O O1D . CLA FR 33 . ? 41.126 -4.526 -27.001 1.00 49.36 ? 605 CLA b O1D 1 ? ? +55869 HETATM O O2D . CLA FR 33 . ? 40.306 -6.478 -26.189 1.00 48.78 ? 605 CLA b O2D 1 ? ? +55870 HETATM C CED . CLA FR 33 . ? 39.990 -6.959 -27.484 1.00 48.54 ? 605 CLA b CED 1 ? ? +55871 HETATM C C1 . CLA FR 33 . ? 45.409 -1.155 -21.167 1.00 54.53 ? 605 CLA b C1 1 ? ? +55872 HETATM C C2 . CLA FR 33 . ? 46.127 -1.593 -19.933 1.00 55.50 ? 605 CLA b C2 1 ? ? +55873 HETATM C C3 . CLA FR 33 . ? 46.379 -0.775 -18.917 1.00 56.65 ? 605 CLA b C3 1 ? ? +55874 HETATM C C4 . CLA FR 33 . ? 45.923 0.652 -18.983 1.00 56.67 ? 605 CLA b C4 1 ? ? +55875 HETATM C C5 . CLA FR 33 . ? 47.200 -1.337 -17.759 1.00 57.68 ? 605 CLA b C5 1 ? ? +55876 HETATM C C6 . CLA FR 33 . ? 47.219 -0.453 -16.517 1.00 58.15 ? 605 CLA b C6 1 ? ? +55877 HETATM C C7 . CLA FR 33 . ? 48.253 -0.955 -15.522 1.00 58.77 ? 605 CLA b C7 1 ? ? +55878 HETATM C C8 . CLA FR 33 . ? 48.181 -0.149 -14.257 1.00 58.90 ? 605 CLA b C8 1 ? ? +55879 HETATM C C9 . CLA FR 33 . ? 47.083 0.852 -14.008 1.00 58.39 ? 605 CLA b C9 1 ? ? +55880 HETATM C C10 . CLA FR 33 . ? 49.298 -0.059 -13.256 1.00 59.55 ? 605 CLA b C10 1 ? ? +55881 HETATM C C11 . CLA FR 33 . ? 48.920 0.092 -11.787 1.00 59.46 ? 605 CLA b C11 1 ? ? +55882 HETATM C C12 . CLA FR 33 . ? 49.595 -0.979 -10.941 1.00 59.62 ? 605 CLA b C12 1 ? ? +55883 HETATM C C13 . CLA FR 33 . ? 51.121 -0.934 -10.952 1.00 60.20 ? 605 CLA b C13 1 ? ? +55884 HETATM C C14 . CLA FR 33 . ? 51.580 -2.145 -10.159 1.00 60.41 ? 605 CLA b C14 1 ? ? +55885 HETATM C C15 . CLA FR 33 . ? 51.630 0.376 -10.376 1.00 60.87 ? 605 CLA b C15 1 ? ? +55886 HETATM C C16 . CLA FR 33 . ? 53.164 0.441 -10.117 1.00 61.91 ? 605 CLA b C16 1 ? ? +55887 HETATM C C17 . CLA FR 33 . ? 53.873 0.669 -11.442 1.00 62.09 ? 605 CLA b C17 1 ? ? +55888 HETATM C C18 . CLA FR 33 . ? 55.214 1.366 -11.431 1.00 63.29 ? 605 CLA b C18 1 ? ? +55889 HETATM C C19 . CLA FR 33 . ? 55.670 2.273 -10.293 1.00 64.15 ? 605 CLA b C19 1 ? ? +55890 HETATM C C20 . CLA FR 33 . ? 56.259 0.941 -12.455 1.00 63.75 ? 605 CLA b C20 1 ? ? +55891 HETATM MG MG . CLA FS 33 . ? -25.585 27.065 16.230 1.00 63.91 ? 502 CLA c MG 1 ? ? +55892 HETATM C CHA . CLA FS 33 . ? -24.227 29.743 14.643 1.00 63.85 ? 502 CLA c CHA 1 ? ? +55893 HETATM C CHB . CLA FS 33 . ? -24.966 25.118 13.471 1.00 62.31 ? 502 CLA c CHB 1 ? ? +55894 HETATM C CHC . CLA FS 33 . ? -25.728 24.119 18.177 1.00 63.66 ? 502 CLA c CHC 1 ? ? +55895 HETATM C CHD . CLA FS 33 . ? -25.148 28.823 19.383 1.00 65.18 ? 502 CLA c CHD 1 ? ? +55896 HETATM N NA . CLA FS 33 . ? -24.654 27.316 14.455 1.00 63.20 ? 502 CLA c NA 1 ? ? +55897 HETATM C C1A . CLA FS 33 . ? -24.264 28.445 13.942 1.00 63.34 ? 502 CLA c C1A 1 ? ? +55898 HETATM C C2A . CLA FS 33 . ? -23.891 28.397 12.477 1.00 62.89 ? 502 CLA c C2A 1 ? ? +55899 HETATM C C3A . CLA FS 33 . ? -24.177 26.959 12.110 1.00 62.35 ? 502 CLA c C3A 1 ? ? +55900 HETATM C C4A . CLA FS 33 . ? -24.597 26.398 13.440 1.00 62.63 ? 502 CLA c C4A 1 ? ? +55901 HETATM C CMA . CLA FS 33 . ? -25.282 26.884 11.053 1.00 62.51 ? 502 CLA c CMA 1 ? ? +55902 HETATM C CAA . CLA FS 33 . ? -22.466 28.820 12.143 1.00 62.62 ? 502 CLA c CAA 1 ? ? +55903 HETATM C CBA . CLA FS 33 . ? -21.428 28.280 13.117 1.00 62.61 ? 502 CLA c CBA 1 ? ? +55904 HETATM C CGA . CLA FS 33 . ? -20.914 26.932 12.686 1.00 62.24 ? 502 CLA c CGA 1 ? ? +55905 HETATM O O1A . CLA FS 33 . ? -20.245 26.758 11.685 1.00 61.70 ? 502 CLA c O1A 1 ? ? +55906 HETATM O O2A . CLA FS 33 . ? -21.212 25.794 13.511 1.00 62.94 ? 502 CLA c O2A 1 ? ? +55907 HETATM N NB . CLA FS 33 . ? -25.334 25.020 15.930 1.00 63.07 ? 502 CLA c NB 1 ? ? +55908 HETATM C C1B . CLA FS 33 . ? -25.221 24.402 14.718 1.00 62.50 ? 502 CLA c C1B 1 ? ? +55909 HETATM C C2B . CLA FS 33 . ? -25.210 22.939 14.685 1.00 62.01 ? 502 CLA c C2B 1 ? ? +55910 HETATM C C3B . CLA FS 33 . ? -25.423 22.640 16.077 1.00 62.47 ? 502 CLA c C3B 1 ? ? +55911 HETATM C C4B . CLA FS 33 . ? -25.530 23.957 16.749 1.00 63.06 ? 502 CLA c C4B 1 ? ? +55912 HETATM C CMB . CLA FS 33 . ? -25.075 22.014 13.521 1.00 61.37 ? 502 CLA c CMB 1 ? ? +55913 HETATM C CAB . CLA FS 33 . ? -25.496 21.242 16.555 1.00 62.40 ? 502 CLA c CAB 1 ? ? +55914 HETATM C CBB . CLA FS 33 . ? -25.704 20.892 17.805 1.00 62.86 ? 502 CLA c CBB 1 ? ? +55915 HETATM N NC . CLA FS 33 . ? -25.422 26.578 18.265 1.00 64.23 ? 502 CLA c NC 1 ? ? +55916 HETATM C C1C . CLA FS 33 . ? -25.602 25.383 18.882 1.00 64.17 ? 502 CLA c C1C 1 ? ? +55917 HETATM C C2C . CLA FS 33 . ? -25.529 25.338 20.368 1.00 64.62 ? 502 CLA c C2C 1 ? ? +55918 HETATM C C3C . CLA FS 33 . ? -25.365 26.732 20.723 1.00 65.06 ? 502 CLA c C3C 1 ? ? +55919 HETATM C C4C . CLA FS 33 . ? -25.361 27.376 19.390 1.00 64.80 ? 502 CLA c C4C 1 ? ? +55920 HETATM C CMC . CLA FS 33 . ? -25.622 24.163 21.299 1.00 64.69 ? 502 CLA c CMC 1 ? ? +55921 HETATM C CAC . CLA FS 33 . ? -25.232 27.364 22.088 1.00 65.70 ? 502 CLA c CAC 1 ? ? +55922 HETATM C CBC . CLA FS 33 . ? -23.763 27.441 22.454 1.00 65.26 ? 502 CLA c CBC 1 ? ? +55923 HETATM N ND . CLA FS 33 . ? -24.602 28.702 16.936 1.00 64.22 ? 502 CLA c ND 1 ? ? +55924 HETATM C C1D . CLA FS 33 . ? -24.890 29.496 18.142 1.00 64.91 ? 502 CLA c C1D 1 ? ? +55925 HETATM C C2D . CLA FS 33 . ? -24.642 30.955 17.970 1.00 65.27 ? 502 CLA c C2D 1 ? ? +55926 HETATM C C3D . CLA FS 33 . ? -24.413 30.978 16.533 1.00 64.77 ? 502 CLA c C3D 1 ? ? +55927 HETATM C C4D . CLA FS 33 . ? -24.538 29.744 16.040 1.00 64.29 ? 502 CLA c C4D 1 ? ? +55928 HETATM C CMD . CLA FS 33 . ? -24.636 32.203 18.808 1.00 65.99 ? 502 CLA c CMD 1 ? ? +55929 HETATM C CAD . CLA FS 33 . ? -24.116 31.910 15.446 1.00 64.72 ? 502 CLA c CAD 1 ? ? +55930 HETATM O OBD . CLA FS 33 . ? -24.000 33.168 15.600 1.00 65.22 ? 502 CLA c OBD 1 ? ? +55931 HETATM C CBD . CLA FS 33 . ? -24.017 31.147 14.163 1.00 64.13 ? 502 CLA c CBD 1 ? ? +55932 HETATM C CGD . CLA FS 33 . ? -25.108 31.565 13.215 1.00 64.61 ? 502 CLA c CGD 1 ? ? +55933 HETATM O O1D . CLA FS 33 . ? -26.182 30.975 13.176 1.00 64.90 ? 502 CLA c O1D 1 ? ? +55934 HETATM O O2D . CLA FS 33 . ? -24.942 32.700 12.323 1.00 64.78 ? 502 CLA c O2D 1 ? ? +55935 HETATM C CED . CLA FS 33 . ? -26.147 33.413 12.006 1.00 65.52 ? 502 CLA c CED 1 ? ? +55936 HETATM C C1 . CLA FS 33 . ? -20.898 24.486 13.040 1.00 62.86 ? 502 CLA c C1 1 ? ? +55937 HETATM C C2 . CLA FS 33 . ? -21.584 23.484 13.941 1.00 63.57 ? 502 CLA c C2 1 ? ? +55938 HETATM C C3 . CLA FS 33 . ? -20.951 22.469 14.537 1.00 63.79 ? 502 CLA c C3 1 ? ? +55939 HETATM C C4 . CLA FS 33 . ? -19.472 22.270 14.353 1.00 63.07 ? 502 CLA c C4 1 ? ? +55940 HETATM C C5 . CLA FS 33 . ? -21.753 21.542 15.412 1.00 64.68 ? 502 CLA c C5 1 ? ? +55941 HETATM C C6 . CLA FS 33 . ? -21.711 20.120 14.885 1.00 64.79 ? 502 CLA c C6 1 ? ? +55942 HETATM C C7 . CLA FS 33 . ? -22.408 19.234 15.914 1.00 66.02 ? 502 CLA c C7 1 ? ? +55943 HETATM C C8 . CLA FS 33 . ? -23.055 17.957 15.375 1.00 66.69 ? 502 CLA c C8 1 ? ? +55944 HETATM C C9 . CLA FS 33 . ? -23.468 17.785 13.912 1.00 66.50 ? 502 CLA c C9 1 ? ? +55945 HETATM C C10 . CLA FS 33 . ? -23.198 16.723 16.267 1.00 67.58 ? 502 CLA c C10 1 ? ? +55946 HETATM C C11 . CLA FS 33 . ? -22.086 16.386 17.254 1.00 67.89 ? 502 CLA c C11 1 ? ? +55947 HETATM C C12 . CLA FS 33 . ? -22.639 15.390 18.284 1.00 68.81 ? 502 CLA c C12 1 ? ? +55948 HETATM C C13 . CLA FS 33 . ? -21.715 15.205 19.489 1.00 69.10 ? 502 CLA c C13 1 ? ? +55949 HETATM C C14 . CLA FS 33 . ? -20.505 14.375 19.110 1.00 68.23 ? 502 CLA c C14 1 ? ? +55950 HETATM C C15 . CLA FS 33 . ? -22.476 14.600 20.673 1.00 70.09 ? 502 CLA c C15 1 ? ? +55951 HETATM C C16 . CLA FS 33 . ? -22.995 13.186 20.428 1.00 70.32 ? 502 CLA c C16 1 ? ? +55952 HETATM C C17 . CLA FS 33 . ? -23.604 12.656 21.725 1.00 71.32 ? 502 CLA c C17 1 ? ? +55953 HETATM C C18 . CLA FS 33 . ? -23.866 11.142 21.808 1.00 71.43 ? 502 CLA c C18 1 ? ? +55954 HETATM C C19 . CLA FS 33 . ? -25.148 10.647 22.476 1.00 72.35 ? 502 CLA c C19 1 ? ? +55955 HETATM C C20 . CLA FS 33 . ? -23.056 10.114 21.026 1.00 70.77 ? 502 CLA c C20 1 ? ? +55956 HETATM C C1 . GOL FT 38 . ? -38.106 20.316 -19.155 1.00 109.55 ? 528 GOL c C1 1 ? ? +55957 HETATM O O1 . GOL FT 38 . ? -38.054 19.681 -17.881 1.00 110.81 ? 528 GOL c O1 1 ? ? +55958 HETATM C C2 . GOL FT 38 . ? -37.315 21.607 -19.164 1.00 108.60 ? 528 GOL c C2 1 ? ? +55959 HETATM O O2 . GOL FT 38 . ? -36.898 21.899 -20.497 1.00 109.05 ? 528 GOL c O2 1 ? ? +55960 HETATM C C3 . GOL FT 38 . ? -38.076 22.784 -18.582 1.00 109.35 ? 528 GOL c C3 1 ? ? +55961 HETATM O O3 . GOL FT 38 . ? -37.804 23.999 -19.276 1.00 108.13 ? 528 GOL c O3 1 ? ? +55962 HETATM C C1 . LMG FU 34 . ? 21.212 -3.439 -29.092 1.00 69.21 ? 101 LMG m C1 1 ? ? +55963 HETATM O O1 . LMG FU 34 . ? 21.829 -3.060 -27.888 1.00 67.92 ? 101 LMG m O1 1 ? ? +55964 HETATM C C2 . LMG FU 34 . ? 19.930 -2.632 -29.298 1.00 69.23 ? 101 LMG m C2 1 ? ? +55965 HETATM O O2 . LMG FU 34 . ? 18.971 -2.927 -28.281 1.00 68.35 ? 101 LMG m O2 1 ? ? +55966 HETATM C C3 . LMG FU 34 . ? 19.311 -2.931 -30.661 1.00 69.98 ? 101 LMG m C3 1 ? ? +55967 HETATM O O3 . LMG FU 34 . ? 18.288 -1.960 -30.908 1.00 70.82 ? 101 LMG m O3 1 ? ? +55968 HETATM C C4 . LMG FU 34 . ? 20.342 -2.936 -31.801 1.00 71.52 ? 101 LMG m C4 1 ? ? +55969 HETATM O O4 . LMG FU 34 . ? 20.652 -1.596 -32.183 1.00 74.63 ? 101 LMG m O4 1 ? ? +55970 HETATM C C5 . LMG FU 34 . ? 21.659 -3.664 -31.423 1.00 71.26 ? 101 LMG m C5 1 ? ? +55971 HETATM O O5 . LMG FU 34 . ? 24.025 -4.003 -32.020 1.00 72.41 ? 101 LMG m O5 1 ? ? +55972 HETATM C C6 . LMG FU 34 . ? 22.776 -3.424 -32.421 1.00 72.16 ? 101 LMG m C6 1 ? ? +55973 HETATM O O6 . LMG FU 34 . ? 22.128 -3.196 -30.145 1.00 69.66 ? 101 LMG m O6 1 ? ? +55974 HETATM C C7 . LMG FU 34 . ? 22.155 -4.152 -27.008 1.00 67.93 ? 101 LMG m C7 1 ? ? +55975 HETATM C C8 . LMG FU 34 . ? 21.547 -3.857 -25.659 1.00 68.98 ? 101 LMG m C8 1 ? ? +55976 HETATM C C9 . LMG FU 34 . ? 20.207 -4.542 -25.459 1.00 73.03 ? 101 LMG m C9 1 ? ? +55977 HETATM O O7 . LMG FU 34 . ? 22.346 -4.301 -24.537 1.00 66.65 ? 101 LMG m O7 1 ? ? +55978 HETATM C C10 . LMG FU 34 . ? 23.658 -4.045 -24.497 1.00 65.28 ? 101 LMG m C10 1 ? ? +55979 HETATM O O9 . LMG FU 34 . ? 24.288 -3.505 -25.357 1.00 66.54 ? 101 LMG m O9 1 ? ? +55980 HETATM C C11 . LMG FU 34 . ? 24.149 -4.497 -23.167 1.00 63.91 ? 101 LMG m C11 1 ? ? +55981 HETATM C C12 . LMG FU 34 . ? 25.601 -4.544 -23.044 1.00 63.02 ? 101 LMG m C12 1 ? ? +55982 HETATM C C13 . LMG FU 34 . ? 26.058 -4.134 -21.667 1.00 63.92 ? 101 LMG m C13 1 ? ? +55983 HETATM C C14 . LMG FU 34 . ? 26.425 -2.687 -21.558 1.00 64.56 ? 101 LMG m C14 1 ? ? +55984 HETATM C C15 . LMG FU 34 . ? 26.827 -2.285 -20.180 1.00 65.30 ? 101 LMG m C15 1 ? ? +55985 HETATM C C16 . LMG FU 34 . ? 27.578 -0.993 -20.121 1.00 66.33 ? 101 LMG m C16 1 ? ? +55986 HETATM C C17 . LMG FU 34 . ? 27.260 -0.164 -18.912 1.00 66.46 ? 101 LMG m C17 1 ? ? +55987 HETATM C C18 . LMG FU 34 . ? 27.619 -0.810 -17.602 1.00 66.10 ? 101 LMG m C18 1 ? ? +55988 HETATM C C19 . LMG FU 34 . ? 27.053 -0.081 -16.422 1.00 67.16 ? 101 LMG m C19 1 ? ? +55989 HETATM C C20 . LMG FU 34 . ? 27.027 -0.864 -15.144 1.00 67.61 ? 101 LMG m C20 1 ? ? +55990 HETATM C C21 . LMG FU 34 . ? 26.099 -0.288 -14.116 1.00 68.43 ? 101 LMG m C21 1 ? ? +55991 HETATM C C22 . LMG FU 34 . ? 26.165 -0.980 -12.789 1.00 69.99 ? 101 LMG m C22 1 ? ? +55992 HETATM C C23 . LMG FU 34 . ? 24.998 -0.696 -11.866 1.00 70.13 ? 101 LMG m C23 1 ? ? +55993 HETATM C C24 . LMG FU 34 . ? 25.288 -1.050 -10.422 1.00 70.63 ? 101 LMG m C24 1 ? ? +55994 HETATM C C25 . LMG FU 34 . ? 24.165 -0.776 -9.455 1.00 70.19 ? 101 LMG m C25 1 ? ? +55995 HETATM O O8 . LMG FU 34 . ? 19.654 -4.103 -24.194 1.00 76.12 ? 101 LMG m O8 1 ? ? +55996 HETATM C C28 . LMG FU 34 . ? 18.418 -4.496 -23.917 1.00 74.56 ? 101 LMG m C28 1 ? ? +55997 HETATM O O10 . LMG FU 34 . ? 17.792 -5.190 -24.662 1.00 75.60 ? 101 LMG m O10 1 ? ? +55998 HETATM C C29 . LMG FU 34 . ? 17.931 -3.949 -22.587 1.00 73.97 ? 101 LMG m C29 1 ? ? +55999 HETATM C C30 . LMG FU 34 . ? 18.469 -4.674 -21.380 1.00 73.22 ? 101 LMG m C30 1 ? ? +56000 HETATM C C31 . LMG FU 34 . ? 19.895 -4.277 -21.021 1.00 73.37 ? 101 LMG m C31 1 ? ? +56001 HETATM C C32 . LMG FU 34 . ? 20.316 -4.626 -19.607 1.00 72.66 ? 101 LMG m C32 1 ? ? +56002 HETATM C C33 . LMG FU 34 . ? 20.314 -6.100 -19.304 1.00 71.64 ? 101 LMG m C33 1 ? ? +56003 HETATM C C34 . LMG FU 34 . ? 20.590 -6.439 -17.864 1.00 71.83 ? 101 LMG m C34 1 ? ? +56004 HETATM C C35 . LMG FU 34 . ? 19.873 -7.669 -17.372 1.00 71.94 ? 101 LMG m C35 1 ? ? +56005 HETATM C C36 . LMG FU 34 . ? 20.112 -8.898 -18.201 1.00 72.41 ? 101 LMG m C36 1 ? ? +56006 HETATM C C37 . LMG FU 34 . ? 19.571 -10.157 -17.583 1.00 74.44 ? 101 LMG m C37 1 ? ? +56007 HETATM C C38 . LMG FU 34 . ? 20.622 -11.091 -17.054 1.00 78.32 ? 101 LMG m C38 1 ? ? +56008 HETATM C C39 . LMG FU 34 . ? 21.602 -11.541 -18.105 1.00 83.03 ? 101 LMG m C39 1 ? ? +56009 HETATM C C40 . LMG FU 34 . ? 22.096 -12.955 -17.940 1.00 88.30 ? 101 LMG m C40 1 ? ? +56010 HETATM C C41 . LMG FU 34 . ? 23.455 -13.069 -17.283 1.00 92.23 ? 101 LMG m C41 1 ? ? +56011 HETATM C C42 . LMG FU 34 . ? 23.450 -13.827 -15.980 1.00 96.69 ? 101 LMG m C42 1 ? ? +56012 HETATM C C43 . LMG FU 34 . ? 22.753 -13.110 -14.845 1.00 100.75 ? 101 LMG m C43 1 ? ? +56013 HETATM MG MG A CLA FV 33 . ? 10.935 -53.603 -44.938 0.40 60.34 ? 406 CLA A MG 1 ? ? +56014 HETATM MG MG B CLA FV 33 . ? 10.951 -53.589 -44.856 0.60 58.01 ? 406 CLA A MG 1 ? ? +56015 HETATM C CHA A CLA FV 33 . ? 14.175 -54.419 -45.616 0.40 57.56 ? 406 CLA A CHA 1 ? ? +56016 HETATM C CHA B CLA FV 33 . ? 14.165 -54.416 -45.651 0.60 55.48 ? 406 CLA A CHA 1 ? ? +56017 HETATM C CHB A CLA FV 33 . ? 10.440 -56.827 -43.883 0.40 59.49 ? 406 CLA A CHB 1 ? ? +56018 HETATM C CHB B CLA FV 33 . ? 10.440 -56.813 -43.845 0.60 57.34 ? 406 CLA A CHB 1 ? ? +56019 HETATM C CHC A CLA FV 33 . ? 8.114 -52.658 -43.030 0.40 58.31 ? 406 CLA A CHC 1 ? ? +56020 HETATM C CHC B CLA FV 33 . ? 8.167 -52.639 -42.943 0.60 55.85 ? 406 CLA A CHC 1 ? ? +56021 HETATM C CHD A CLA FV 33 . ? 12.018 -50.140 -44.619 0.40 56.34 ? 406 CLA A CHD 1 ? ? +56022 HETATM C CHD B CLA FV 33 . ? 12.056 -50.131 -44.591 0.60 53.87 ? 406 CLA A CHD 1 ? ? +56023 HETATM N NA A CLA FV 33 . ? 12.070 -55.250 -44.674 0.40 59.05 ? 406 CLA A NA 1 ? ? +56024 HETATM N NA B CLA FV 33 . ? 12.071 -55.250 -44.653 0.60 56.94 ? 406 CLA A NA 1 ? ? +56025 HETATM C C1A A CLA FV 33 . ? 13.306 -55.439 -45.027 0.40 58.69 ? 406 CLA A C1A 1 ? ? +56026 HETATM C C1A B CLA FV 33 . ? 13.295 -55.438 -45.050 0.60 56.73 ? 406 CLA A C1A 1 ? ? +56027 HETATM C C2A A CLA FV 33 . ? 13.803 -56.853 -45.002 0.40 59.34 ? 406 CLA A C2A 1 ? ? +56028 HETATM C C2A B CLA FV 33 . ? 13.777 -56.859 -45.030 0.60 57.54 ? 406 CLA A C2A 1 ? ? +56029 HETATM C C3A A CLA FV 33 . ? 12.526 -57.588 -44.726 0.40 59.41 ? 406 CLA A C3A 1 ? ? +56030 HETATM C C3A B CLA FV 33 . ? 12.506 -57.598 -44.725 0.60 57.47 ? 406 CLA A C3A 1 ? ? +56031 HETATM C C4A A CLA FV 33 . ? 11.607 -56.473 -44.374 0.40 59.22 ? 406 CLA A C4A 1 ? ? +56032 HETATM C C4A B CLA FV 33 . ? 11.603 -56.473 -44.357 0.60 57.16 ? 406 CLA A C4A 1 ? ? +56033 HETATM C CMA A CLA FV 33 . ? 11.988 -58.325 -45.943 0.40 59.53 ? 406 CLA A CMA 1 ? ? +56034 HETATM C CMA B CLA FV 33 . ? 11.969 -58.377 -45.918 0.60 57.59 ? 406 CLA A CMA 1 ? ? +56035 HETATM C CAA A CLA FV 33 . ? 14.856 -57.099 -43.928 0.40 59.83 ? 406 CLA A CAA 1 ? ? +56036 HETATM C CAA B CLA FV 33 . ? 14.861 -57.112 -43.986 0.60 58.33 ? 406 CLA A CAA 1 ? ? +56037 HETATM C CBA A CLA FV 33 . ? 14.365 -56.513 -42.611 0.40 60.19 ? 406 CLA A CBA 1 ? ? +56038 HETATM C CBA B CLA FV 33 . ? 14.535 -56.437 -42.654 0.60 58.99 ? 406 CLA A CBA 1 ? ? +56039 HETATM C CGA A CLA FV 33 . ? 15.359 -56.621 -41.479 0.40 60.63 ? 406 CLA A CGA 1 ? ? +56040 HETATM C CGA B CLA FV 33 . ? 15.346 -56.945 -41.491 0.60 59.89 ? 406 CLA A CGA 1 ? ? +56041 HETATM O O1A A CLA FV 33 . ? 16.556 -56.687 -41.661 0.40 60.39 ? 406 CLA A O1A 1 ? ? +56042 HETATM O O1A B CLA FV 33 . ? 16.366 -57.583 -41.622 0.60 59.76 ? 406 CLA A O1A 1 ? ? +56043 HETATM O O2A A CLA FV 33 . ? 14.846 -56.614 -40.125 0.40 62.03 ? 406 CLA A O2A 1 ? ? +56044 HETATM O O2A B CLA FV 33 . ? 14.857 -56.641 -40.167 0.60 62.04 ? 406 CLA A O2A 1 ? ? +56045 HETATM N NB A CLA FV 33 . ? 9.580 -54.539 -43.678 0.40 59.21 ? 406 CLA A NB 1 ? ? +56046 HETATM N NB B CLA FV 33 . ? 9.598 -54.523 -43.594 0.60 56.91 ? 406 CLA A NB 1 ? ? +56047 HETATM C C1B A CLA FV 33 . ? 9.446 -55.870 -43.444 0.40 59.26 ? 406 CLA A C1B 1 ? ? +56048 HETATM C C1B B CLA FV 33 . ? 9.458 -55.854 -43.388 0.60 57.03 ? 406 CLA A C1B 1 ? ? +56049 HETATM C C2B A CLA FV 33 . ? 8.336 -56.333 -42.583 0.40 59.35 ? 406 CLA A C2B 1 ? ? +56050 HETATM C C2B B CLA FV 33 . ? 8.353 -56.332 -42.544 0.60 57.16 ? 406 CLA A C2B 1 ? ? +56051 HETATM C C3B A CLA FV 33 . ? 7.669 -55.082 -42.327 0.40 59.13 ? 406 CLA A C3B 1 ? ? +56052 HETATM C C3B B CLA FV 33 . ? 7.677 -55.092 -42.254 0.60 56.98 ? 406 CLA A C3B 1 ? ? +56053 HETATM C C4B A CLA FV 33 . ? 8.452 -54.072 -43.084 0.40 58.81 ? 406 CLA A C4B 1 ? ? +56054 HETATM C C4B B CLA FV 33 . ? 8.470 -54.063 -42.993 0.60 56.47 ? 406 CLA A C4B 1 ? ? +56055 HETATM C CMB A CLA FV 33 . ? 7.936 -57.700 -42.111 0.40 59.86 ? 406 CLA A CMB 1 ? ? +56056 HETATM C CMB B CLA FV 33 . ? 7.980 -57.723 -42.124 0.60 57.70 ? 406 CLA A CMB 1 ? ? +56057 HETATM C CAB A CLA FV 33 . ? 6.403 -54.985 -41.556 0.40 59.02 ? 406 CLA A CAB 1 ? ? +56058 HETATM C CAB B CLA FV 33 . ? 6.394 -55.086 -41.485 0.60 57.01 ? 406 CLA A CAB 1 ? ? +56059 HETATM C CBB A CLA FV 33 . ? 5.673 -53.896 -41.619 0.40 58.63 ? 406 CLA A CBB 1 ? ? +56060 HETATM C CBB B CLA FV 33 . ? 5.518 -54.111 -41.550 0.60 56.81 ? 406 CLA A CBB 1 ? ? +56061 HETATM N NC A CLA FV 33 . ? 10.264 -51.853 -44.015 0.40 57.66 ? 406 CLA A NC 1 ? ? +56062 HETATM N NC B CLA FV 33 . ? 10.310 -51.831 -43.944 0.60 55.11 ? 406 CLA A NC 1 ? ? +56063 HETATM C C1C A CLA FV 33 . ? 9.075 -51.612 -43.385 0.40 57.72 ? 406 CLA A C1C 1 ? ? +56064 HETATM C C1C B CLA FV 33 . ? 9.128 -51.598 -43.310 0.60 55.16 ? 406 CLA A C1C 1 ? ? +56065 HETATM C C2C A CLA FV 33 . ? 8.811 -50.223 -42.913 0.40 57.04 ? 406 CLA A C2C 1 ? ? +56066 HETATM C C2C B CLA FV 33 . ? 8.850 -50.214 -42.849 0.60 54.40 ? 406 CLA A C2C 1 ? ? +56067 HETATM C C3C A CLA FV 33 . ? 9.972 -49.506 -43.400 0.40 56.32 ? 406 CLA A C3C 1 ? ? +56068 HETATM C C3C B CLA FV 33 . ? 9.999 -49.485 -43.344 0.60 53.57 ? 406 CLA A C3C 1 ? ? +56069 HETATM C C4C A CLA FV 33 . ? 10.734 -50.563 -44.079 0.40 56.65 ? 406 CLA A C4C 1 ? ? +56070 HETATM C C4C B CLA FV 33 . ? 10.771 -50.539 -44.025 0.60 54.08 ? 406 CLA A C4C 1 ? ? +56071 HETATM C CMC A CLA FV 33 . ? 7.657 -49.637 -42.146 0.40 57.03 ? 406 CLA A CMC 1 ? ? +56072 HETATM C CMC B CLA FV 33 . ? 7.685 -49.653 -42.080 0.60 54.37 ? 406 CLA A CMC 1 ? ? +56073 HETATM C CAC A CLA FV 33 . ? 10.284 -48.040 -43.305 0.40 55.62 ? 406 CLA A CAC 1 ? ? +56074 HETATM C CAC B CLA FV 33 . ? 10.258 -48.008 -43.236 0.60 52.74 ? 406 CLA A CAC 1 ? ? +56075 HETATM C CBC A CLA FV 33 . ? 9.418 -47.340 -44.342 0.40 55.46 ? 406 CLA A CBC 1 ? ? +56076 HETATM C CBC B CLA FV 33 . ? 9.462 -47.327 -44.341 0.60 52.51 ? 406 CLA A CBC 1 ? ? +56077 HETATM N ND A CLA FV 33 . ? 12.697 -52.565 -44.697 0.40 57.58 ? 406 CLA A ND 1 ? ? +56078 HETATM N ND B CLA FV 33 . ? 12.727 -52.556 -44.699 0.60 55.30 ? 406 CLA A ND 1 ? ? +56079 HETATM C C1D A CLA FV 33 . ? 12.929 -51.152 -45.078 0.40 56.38 ? 406 CLA A C1D 1 ? ? +56080 HETATM C C1D B CLA FV 33 . ? 12.955 -51.142 -45.073 0.60 53.98 ? 406 CLA A C1D 1 ? ? +56081 HETATM C C2D A CLA FV 33 . ? 14.155 -50.885 -45.884 0.40 55.69 ? 406 CLA A C2D 1 ? ? +56082 HETATM C C2D B CLA FV 33 . ? 14.175 -50.876 -45.885 0.60 53.44 ? 406 CLA A C2D 1 ? ? +56083 HETATM C C3D A CLA FV 33 . ? 14.603 -52.260 -46.087 0.40 56.36 ? 406 CLA A C3D 1 ? ? +56084 HETATM C C3D B CLA FV 33 . ? 14.614 -52.250 -46.108 0.60 54.22 ? 406 CLA A C3D 1 ? ? +56085 HETATM C C4D A CLA FV 33 . ? 13.725 -53.075 -45.482 0.40 57.01 ? 406 CLA A C4D 1 ? ? +56086 HETATM C C4D B CLA FV 33 . ? 13.737 -53.067 -45.505 0.60 54.81 ? 406 CLA A C4D 1 ? ? +56087 HETATM C CMD A CLA FV 33 . ? 14.874 -49.685 -46.437 0.40 55.00 ? 406 CLA A CMD 1 ? ? +56088 HETATM C CMD B CLA FV 33 . ? 14.895 -49.675 -46.429 0.60 52.74 ? 406 CLA A CMD 1 ? ? +56089 HETATM C CAD A CLA FV 33 . ? 15.681 -53.055 -46.738 0.40 56.71 ? 406 CLA A CAD 1 ? ? +56090 HETATM C CAD B CLA FV 33 . ? 15.687 -53.044 -46.773 0.60 54.68 ? 406 CLA A CAD 1 ? ? +56091 HETATM O OBD A CLA FV 33 . ? 16.674 -52.604 -47.431 0.40 56.08 ? 406 CLA A OBD 1 ? ? +56092 HETATM O OBD B CLA FV 33 . ? 16.682 -52.604 -47.477 0.60 54.20 ? 406 CLA A OBD 1 ? ? +56093 HETATM C CBD A CLA FV 33 . ? 15.406 -54.502 -46.461 0.40 57.35 ? 406 CLA A CBD 1 ? ? +56094 HETATM C CBD B CLA FV 33 . ? 15.399 -54.491 -46.498 0.60 55.34 ? 406 CLA A CBD 1 ? ? +56095 HETATM C CGD A CLA FV 33 . ? 15.160 -55.246 -47.735 0.40 57.58 ? 406 CLA A CGD 1 ? ? +56096 HETATM C CGD B CLA FV 33 . ? 15.194 -55.219 -47.786 0.60 55.60 ? 406 CLA A CGD 1 ? ? +56097 HETATM O O1D A CLA FV 33 . ? 14.352 -54.838 -48.545 0.40 57.70 ? 406 CLA A O1D 1 ? ? +56098 HETATM O O1D B CLA FV 33 . ? 14.515 -54.742 -48.672 0.60 55.83 ? 406 CLA A O1D 1 ? ? +56099 HETATM O O2D A CLA FV 33 . ? 15.864 -56.465 -48.056 0.40 57.93 ? 406 CLA A O2D 1 ? ? +56100 HETATM O O2D B CLA FV 33 . ? 15.798 -56.503 -48.024 0.60 55.98 ? 406 CLA A O2D 1 ? ? +56101 HETATM C CED A CLA FV 33 . ? 15.540 -57.096 -49.291 0.40 58.39 ? 406 CLA A CED 1 ? ? +56102 HETATM C CED B CLA FV 33 . ? 15.561 -57.114 -49.288 0.60 56.47 ? 406 CLA A CED 1 ? ? +56103 HETATM C C1 A CLA FV 33 . ? 15.596 -57.145 -39.042 0.40 63.60 ? 406 CLA A C1 1 ? ? +56104 HETATM C C1 B CLA FV 33 . ? 15.535 -57.070 -38.998 0.60 64.50 ? 406 CLA A C1 1 ? ? +56105 HETATM C C2 A CLA FV 33 . ? 14.832 -58.308 -38.451 0.40 64.97 ? 406 CLA A C2 1 ? ? +56106 HETATM C C2 B CLA FV 33 . ? 14.821 -58.269 -38.415 0.60 66.62 ? 406 CLA A C2 1 ? ? +56107 HETATM C C3 A CLA FV 33 . ? 15.449 -59.467 -38.189 0.40 67.07 ? 406 CLA A C3 1 ? ? +56108 HETATM C C3 B CLA FV 33 . ? 15.441 -59.436 -38.162 0.60 70.08 ? 406 CLA A C3 1 ? ? +56109 HETATM C C4 A CLA FV 33 . ? 16.912 -59.605 -38.474 0.40 66.89 ? 406 CLA A C4 1 ? ? +56110 HETATM C C4 B CLA FV 33 . ? 16.899 -59.634 -38.441 0.60 69.72 ? 406 CLA A C4 1 ? ? +56111 HETATM C C5 A CLA FV 33 . ? 14.671 -60.620 -37.601 0.40 69.56 ? 406 CLA A C5 1 ? ? +56112 HETATM C C5 B CLA FV 33 . ? 14.644 -60.579 -37.583 0.60 74.32 ? 406 CLA A C5 1 ? ? +56113 HETATM C C6 A CLA FV 33 . ? 14.300 -61.618 -38.698 0.40 71.79 ? 406 CLA A C6 1 ? ? +56114 HETATM C C6 B CLA FV 33 . ? 14.276 -61.588 -38.671 0.60 78.38 ? 406 CLA A C6 1 ? ? +56115 HETATM C C7 A CLA FV 33 . ? 13.489 -60.892 -39.772 0.40 73.92 ? 406 CLA A C7 1 ? ? +56116 HETATM C C7 B CLA FV 33 . ? 13.469 -60.901 -39.782 0.60 82.81 ? 406 CLA A C7 1 ? ? +56117 HETATM C C8 A CLA FV 33 . ? 12.696 -61.759 -40.762 0.40 76.19 ? 406 CLA A C8 1 ? ? +56118 HETATM C C8 B CLA FV 33 . ? 12.687 -61.777 -40.775 0.60 87.04 ? 406 CLA A C8 1 ? ? +56119 HETATM C C9 A CLA FV 33 . ? 12.858 -61.478 -42.261 0.40 75.95 ? 406 CLA A C9 1 ? ? +56120 HETATM C C9 B CLA FV 33 . ? 12.841 -61.486 -42.275 0.60 86.29 ? 406 CLA A C9 1 ? ? +56121 HETATM C C10 A CLA FV 33 . ? 11.988 -63.006 -40.201 0.40 78.98 ? 406 CLA A C10 1 ? ? +56122 HETATM C C10 B CLA FV 33 . ? 11.981 -63.027 -40.222 0.60 92.85 ? 406 CLA A C10 1 ? ? +56123 HETATM C C11 A CLA FV 33 . ? 11.976 -64.300 -41.014 0.40 81.72 ? 406 CLA A C11 1 ? ? +56124 HETATM C C11 B CLA FV 33 . ? 11.968 -64.308 -41.050 0.60 98.77 ? 406 CLA A C11 1 ? ? +56125 HETATM C C12 A CLA FV 33 . ? 10.769 -65.123 -40.535 0.40 84.31 ? 406 CLA A C12 1 ? ? +56126 HETATM C C12 B CLA FV 33 . ? 10.772 -65.141 -40.570 0.60 104.74 ? 406 CLA A C12 1 ? ? +56127 HETATM C C13 A CLA FV 33 . ? 10.700 -66.536 -41.119 0.40 86.40 ? 406 CLA A C13 1 ? ? +56128 HETATM C C13 B CLA FV 33 . ? 10.708 -66.546 -41.174 0.60 109.36 ? 406 CLA A C13 1 ? ? +56129 HETATM C C14 A CLA FV 33 . ? 10.632 -66.495 -42.643 0.40 86.51 ? 406 CLA A C14 1 ? ? +56130 HETATM C C14 B CLA FV 33 . ? 10.617 -66.516 -42.699 0.60 109.67 ? 406 CLA A C14 1 ? ? +56131 HETATM C C15 A CLA FV 33 . ? 9.496 -67.287 -40.536 0.40 87.27 ? 406 CLA A C15 1 ? ? +56132 HETATM C C15 B CLA FV 33 . ? 9.514 -67.308 -40.577 0.60 111.07 ? 406 CLA A C15 1 ? ? +56133 HETATM C C16 A CLA FV 33 . ? 9.830 -68.744 -40.200 0.40 88.35 ? 406 CLA A C16 1 ? ? +56134 HETATM C C16 B CLA FV 33 . ? 9.864 -68.747 -40.194 0.60 112.60 ? 406 CLA A C16 1 ? ? +56135 HETATM C C17 A CLA FV 33 . ? 9.036 -69.244 -38.995 0.40 88.87 ? 406 CLA A C17 1 ? ? +56136 HETATM C C17 B CLA FV 33 . ? 9.090 -69.235 -38.968 0.60 112.84 ? 406 CLA A C17 1 ? ? +56137 HETATM C C18 A CLA FV 33 . ? 9.850 -70.275 -38.203 0.40 89.64 ? 406 CLA A C18 1 ? ? +56138 HETATM C C18 B CLA FV 33 . ? 9.905 -70.271 -38.175 0.60 113.00 ? 406 CLA A C18 1 ? ? +56139 HETATM C C19 A CLA FV 33 . ? 9.356 -70.710 -36.819 0.40 90.19 ? 406 CLA A C19 1 ? ? +56140 HETATM C C19 B CLA FV 33 . ? 9.419 -70.657 -36.775 0.60 112.75 ? 406 CLA A C19 1 ? ? +56141 HETATM C C20 A CLA FV 33 . ? 10.929 -71.098 -38.917 0.40 89.47 ? 406 CLA A C20 1 ? ? +56142 HETATM C C20 B CLA FV 33 . ? 10.971 -71.130 -38.871 0.60 112.07 ? 406 CLA A C20 1 ? ? +56143 HETATM MG MG . CLA FW 33 . ? -3.269 -39.246 -10.764 1.00 50.13 ? 612 CLA B MG 1 ? ? +56144 HETATM C CHA . CLA FW 33 . ? -6.325 -39.758 -12.272 1.00 50.80 ? 612 CLA B CHA 1 ? ? +56145 HETATM C CHB . CLA FW 33 . ? -3.243 -36.112 -11.482 1.00 49.16 ? 612 CLA B CHB 1 ? ? +56146 HETATM C CHC . CLA FW 33 . ? -0.390 -39.138 -8.941 1.00 49.38 ? 612 CLA B CHC 1 ? ? +56147 HETATM C CHD . CLA FW 33 . ? -3.730 -42.679 -9.252 1.00 51.22 ? 612 CLA B CHD 1 ? ? +56148 HETATM N NA . CLA FW 33 . ? -4.597 -38.151 -11.728 1.00 49.97 ? 612 CLA B NA 1 ? ? +56149 HETATM C C1A . CLA FW 33 . ? -5.691 -38.447 -12.317 1.00 50.23 ? 612 CLA B C1A 1 ? ? +56150 HETATM C C2A . CLA FW 33 . ? -6.219 -37.344 -13.182 1.00 49.89 ? 612 CLA B C2A 1 ? ? +56151 HETATM C C3A . CLA FW 33 . ? -5.122 -36.313 -13.084 1.00 49.28 ? 612 CLA B C3A 1 ? ? +56152 HETATM C C4A . CLA FW 33 . ? -4.258 -36.871 -12.004 1.00 49.46 ? 612 CLA B C4A 1 ? ? +56153 HETATM C CMA . CLA FW 33 . ? -4.401 -36.159 -14.412 1.00 48.78 ? 612 CLA B CMA 1 ? ? +56154 HETATM C CAA . CLA FW 33 . ? -7.539 -36.831 -12.661 1.00 50.25 ? 612 CLA B CAA 1 ? ? +56155 HETATM C CBA . CLA FW 33 . ? -7.365 -36.364 -11.232 1.00 50.49 ? 612 CLA B CBA 1 ? ? +56156 HETATM C CGA . CLA FW 33 . ? -8.691 -35.995 -10.697 1.00 51.03 ? 612 CLA B CGA 1 ? ? +56157 HETATM O O1A . CLA FW 33 . ? -9.278 -36.762 -9.969 1.00 51.79 ? 612 CLA B O1A 1 ? ? +56158 HETATM O O2A . CLA FW 33 . ? -9.273 -34.736 -11.035 1.00 51.22 ? 612 CLA B O2A 1 ? ? +56159 HETATM N NB . CLA FW 33 . ? -1.974 -37.797 -10.189 1.00 49.42 ? 612 CLA B NB 1 ? ? +56160 HETATM C C1B . CLA FW 33 . ? -2.071 -36.550 -10.661 1.00 49.01 ? 612 CLA B C1B 1 ? ? +56161 HETATM C C2B . CLA FW 33 . ? -0.992 -35.656 -10.198 1.00 48.59 ? 612 CLA B C2B 1 ? ? +56162 HETATM C C3B . CLA FW 33 . ? -0.148 -36.601 -9.428 1.00 48.77 ? 612 CLA B C3B 1 ? ? +56163 HETATM C C4B . CLA FW 33 . ? -0.828 -37.895 -9.548 1.00 49.08 ? 612 CLA B C4B 1 ? ? +56164 HETATM C CMB . CLA FW 33 . ? -0.866 -34.190 -10.517 1.00 48.22 ? 612 CLA B CMB 1 ? ? +56165 HETATM C CAB . CLA FW 33 . ? 1.136 -36.389 -8.687 1.00 48.48 ? 612 CLA B CAB 1 ? ? +56166 HETATM C CBB . CLA FW 33 . ? 1.666 -35.196 -8.587 1.00 48.06 ? 612 CLA B CBB 1 ? ? +56167 HETATM N NC . CLA FW 33 . ? -2.390 -40.604 -9.403 1.00 50.34 ? 612 CLA B NC 1 ? ? +56168 HETATM C C1C . CLA FW 33 . ? -1.144 -40.383 -8.856 1.00 49.95 ? 612 CLA B C1C 1 ? ? +56169 HETATM C C2C . CLA FW 33 . ? -0.564 -41.426 -7.988 1.00 50.32 ? 612 CLA B C2C 1 ? ? +56170 HETATM C C3C . CLA FW 33 . ? -1.546 -42.468 -8.074 1.00 50.75 ? 612 CLA B C3C 1 ? ? +56171 HETATM C C4C . CLA FW 33 . ? -2.559 -41.886 -8.971 1.00 50.72 ? 612 CLA B C4C 1 ? ? +56172 HETATM C CMC . CLA FW 33 . ? 0.729 -41.474 -7.214 1.00 50.30 ? 612 CLA B CMC 1 ? ? +56173 HETATM C CAC . CLA FW 33 . ? -1.492 -43.824 -7.430 1.00 51.28 ? 612 CLA B CAC 1 ? ? +56174 HETATM C CBC . CLA FW 33 . ? -1.049 -44.815 -8.502 1.00 51.15 ? 612 CLA B CBC 1 ? ? +56175 HETATM N ND . CLA FW 33 . ? -4.700 -40.679 -10.470 1.00 50.76 ? 612 CLA B ND 1 ? ? +56176 HETATM C C1D . CLA FW 33 . ? -4.647 -42.119 -10.178 1.00 51.17 ? 612 CLA B C1D 1 ? ? +56177 HETATM C C2D . CLA FW 33 . ? -5.794 -42.891 -10.707 1.00 51.58 ? 612 CLA B C2D 1 ? ? +56178 HETATM C C3D . CLA FW 33 . ? -6.401 -41.885 -11.561 1.00 51.45 ? 612 CLA B C3D 1 ? ? +56179 HETATM C C4D . CLA FW 33 . ? -5.655 -40.762 -11.490 1.00 50.92 ? 612 CLA B C4D 1 ? ? +56180 HETATM C CMD . CLA FW 33 . ? -6.287 -44.296 -10.558 1.00 52.10 ? 612 CLA B CMD 1 ? ? +56181 HETATM C CAD . CLA FW 33 . ? -7.529 -41.725 -12.514 1.00 51.70 ? 612 CLA B CAD 1 ? ? +56182 HETATM O OBD . CLA FW 33 . ? -8.376 -42.634 -12.838 1.00 52.21 ? 612 CLA B OBD 1 ? ? +56183 HETATM C CBD . CLA FW 33 . ? -7.522 -40.315 -13.009 1.00 51.31 ? 612 CLA B CBD 1 ? ? +56184 HETATM C CGD . CLA FW 33 . ? -7.432 -40.227 -14.508 1.00 51.14 ? 612 CLA B CGD 1 ? ? +56185 HETATM O O1D . CLA FW 33 . ? -8.172 -39.524 -15.203 1.00 51.56 ? 612 CLA B O1D 1 ? ? +56186 HETATM O O2D . CLA FW 33 . ? -6.461 -41.002 -15.204 1.00 50.74 ? 612 CLA B O2D 1 ? ? +56187 HETATM C CED . CLA FW 33 . ? -6.560 -41.024 -16.616 1.00 50.54 ? 612 CLA B CED 1 ? ? +56188 HETATM C C1 . CLA FW 33 . ? -10.691 -34.597 -10.887 1.00 52.09 ? 612 CLA B C1 1 ? ? +56189 HETATM C C2 . CLA FW 33 . ? -11.340 -35.096 -12.158 1.00 52.41 ? 612 CLA B C2 1 ? ? +56190 HETATM C C3 . CLA FW 33 . ? -11.889 -34.268 -13.052 1.00 52.58 ? 612 CLA B C3 1 ? ? +56191 HETATM C C4 . CLA FW 33 . ? -11.886 -32.790 -12.806 1.00 52.43 ? 612 CLA B C4 1 ? ? +56192 HETATM C C5 . CLA FW 33 . ? -12.513 -34.809 -14.318 1.00 52.90 ? 612 CLA B C5 1 ? ? +56193 HETATM C C6 . CLA FW 33 . ? -11.679 -34.298 -15.498 1.00 52.65 ? 612 CLA B C6 1 ? ? +56194 HETATM C C7 . CLA FW 33 . ? -10.339 -35.027 -15.538 1.00 52.41 ? 612 CLA B C7 1 ? ? +56195 HETATM C C8 . CLA FW 33 . ? -9.166 -34.366 -16.228 1.00 51.76 ? 612 CLA B C8 1 ? ? +56196 HETATM C C9 . CLA FW 33 . ? -8.044 -35.329 -16.597 1.00 51.68 ? 612 CLA B C9 1 ? ? +56197 HETATM C C10 . CLA FW 33 . ? -9.204 -32.853 -16.610 1.00 51.54 ? 612 CLA B C10 1 ? ? +56198 HETATM C C11 . CLA FW 33 . ? -8.804 -32.450 -18.022 1.00 51.06 ? 612 CLA B C11 1 ? ? +56199 HETATM C C12 . CLA FW 33 . ? -10.012 -32.416 -18.967 1.00 51.24 ? 612 CLA B C12 1 ? ? +56200 HETATM C C13 . CLA FW 33 . ? -9.510 -32.790 -20.354 1.00 50.87 ? 612 CLA B C13 1 ? ? +56201 HETATM C C14 . CLA FW 33 . ? -8.636 -31.655 -20.867 1.00 50.43 ? 612 CLA B C14 1 ? ? +56202 HETATM C C15 . CLA FW 33 . ? -10.642 -33.108 -21.315 1.00 51.02 ? 612 CLA B C15 1 ? ? +56203 HETATM C C16 . CLA FW 33 . ? -11.393 -34.381 -20.940 1.00 51.48 ? 612 CLA B C16 1 ? ? +56204 HETATM C C17 . CLA FW 33 . ? -10.514 -35.611 -20.959 1.00 51.36 ? 612 CLA B C17 1 ? ? +56205 HETATM C C18 . CLA FW 33 . ? -11.190 -36.925 -20.612 1.00 51.96 ? 612 CLA B C18 1 ? ? +56206 HETATM C C19 . CLA FW 33 . ? -12.370 -36.975 -19.682 1.00 52.82 ? 612 CLA B C19 1 ? ? +56207 HETATM C C20 . CLA FW 33 . ? -10.847 -38.186 -21.356 1.00 52.10 ? 612 CLA B C20 1 ? ? +56208 HETATM MG MG . CLA FX 33 . ? 64.088 -59.136 -46.856 1.00 68.06 ? 507 CLA C MG 1 ? ? +56209 HETATM C CHA . CLA FX 33 . ? 65.383 -57.632 -43.958 1.00 68.57 ? 507 CLA C CHA 1 ? ? +56210 HETATM C CHB . CLA FX 33 . ? 61.249 -59.835 -45.119 1.00 66.71 ? 507 CLA C CHB 1 ? ? +56211 HETATM C CHC . CLA FX 33 . ? 62.305 -59.339 -49.851 1.00 66.93 ? 507 CLA C CHC 1 ? ? +56212 HETATM C CHD . CLA FX 33 . ? 66.545 -57.186 -48.743 1.00 69.03 ? 507 CLA C CHD 1 ? ? +56213 HETATM N NA . CLA FX 33 . ? 63.444 -58.828 -44.967 1.00 68.01 ? 507 CLA C NA 1 ? ? +56214 HETATM C C1A . CLA FX 33 . ? 64.082 -58.328 -43.939 1.00 68.57 ? 507 CLA C C1A 1 ? ? +56215 HETATM C C2A . CLA FX 33 . ? 63.512 -58.654 -42.590 1.00 69.04 ? 507 CLA C C2A 1 ? ? +56216 HETATM C C3A . CLA FX 33 . ? 62.378 -59.561 -42.965 1.00 68.23 ? 507 CLA C C3A 1 ? ? +56217 HETATM C C4A . CLA FX 33 . ? 62.326 -59.391 -44.463 1.00 67.71 ? 507 CLA C C4A 1 ? ? +56218 HETATM C CMA . CLA FX 33 . ? 62.613 -60.996 -42.496 1.00 68.72 ? 507 CLA C CMA 1 ? ? +56219 HETATM C CAA . CLA FX 33 . ? 63.057 -57.416 -41.829 1.00 69.72 ? 507 CLA C CAA 1 ? ? +56220 HETATM C CBA . CLA FX 33 . ? 61.901 -56.763 -42.568 1.00 70.15 ? 507 CLA C CBA 1 ? ? +56221 HETATM C CGA . CLA FX 33 . ? 61.515 -55.401 -42.070 1.00 71.78 ? 507 CLA C CGA 1 ? ? +56222 HETATM O O1A . CLA FX 33 . ? 61.809 -54.970 -40.970 1.00 72.73 ? 507 CLA C O1A 1 ? ? +56223 HETATM O O2A . CLA FX 33 . ? 60.753 -54.578 -42.963 1.00 74.35 ? 507 CLA C O2A 1 ? ? +56224 HETATM N NB . CLA FX 33 . ? 62.124 -59.467 -47.392 1.00 66.92 ? 507 CLA C NB 1 ? ? +56225 HETATM C C1B . CLA FX 33 . ? 61.112 -59.844 -46.579 1.00 66.31 ? 507 CLA C C1B 1 ? ? +56226 HETATM C C2B . CLA FX 33 . ? 59.819 -60.150 -47.223 1.00 65.49 ? 507 CLA C C2B 1 ? ? +56227 HETATM C C3B . CLA FX 33 . ? 60.161 -59.974 -48.628 1.00 65.59 ? 507 CLA C C3B 1 ? ? +56228 HETATM C C4B . CLA FX 33 . ? 61.577 -59.618 -48.618 1.00 66.44 ? 507 CLA C C4B 1 ? ? +56229 HETATM C CMB . CLA FX 33 . ? 58.526 -60.540 -46.563 1.00 64.80 ? 507 CLA C CMB 1 ? ? +56230 HETATM C CAB . CLA FX 33 . ? 59.324 -60.143 -49.845 1.00 65.33 ? 507 CLA C CAB 1 ? ? +56231 HETATM C CBB . CLA FX 33 . ? 58.066 -60.561 -49.842 1.00 64.60 ? 507 CLA C CBB 1 ? ? +56232 HETATM N NC . CLA FX 33 . ? 64.330 -58.380 -48.799 1.00 67.81 ? 507 CLA C NC 1 ? ? +56233 HETATM C C1C . CLA FX 33 . ? 63.607 -58.669 -49.896 1.00 67.38 ? 507 CLA C C1C 1 ? ? +56234 HETATM C C2C . CLA FX 33 . ? 64.062 -58.121 -51.198 1.00 67.41 ? 507 CLA C C2C 1 ? ? +56235 HETATM C C3C . CLA FX 33 . ? 65.318 -57.478 -50.882 1.00 67.99 ? 507 CLA C C3C 1 ? ? +56236 HETATM C C4C . CLA FX 33 . ? 65.397 -57.759 -49.432 1.00 68.31 ? 507 CLA C C4C 1 ? ? +56237 HETATM C CMC . CLA FX 33 . ? 63.406 -58.228 -52.538 1.00 67.06 ? 507 CLA C CMC 1 ? ? +56238 HETATM C CAC . CLA FX 33 . ? 66.286 -56.778 -51.814 1.00 68.35 ? 507 CLA C CAC 1 ? ? +56239 HETATM C CBC . CLA FX 33 . ? 66.072 -55.297 -51.923 1.00 67.81 ? 507 CLA C CBC 1 ? ? +56240 HETATM N ND . CLA FX 33 . ? 65.384 -57.549 -46.520 1.00 68.60 ? 507 CLA C ND 1 ? ? +56241 HETATM C C1D . CLA FX 33 . ? 66.587 -57.163 -47.296 1.00 69.08 ? 507 CLA C C1D 1 ? ? +56242 HETATM C C2D . CLA FX 33 . ? 67.694 -56.560 -46.463 1.00 69.80 ? 507 CLA C C2D 1 ? ? +56243 HETATM C C3D . CLA FX 33 . ? 67.139 -56.825 -45.129 1.00 69.34 ? 507 CLA C C3D 1 ? ? +56244 HETATM C C4D . CLA FX 33 . ? 65.972 -57.465 -45.257 1.00 68.81 ? 507 CLA C C4D 1 ? ? +56245 HETATM C CMD . CLA FX 33 . ? 69.064 -55.927 -46.665 1.00 70.57 ? 507 CLA C CMD 1 ? ? +56246 HETATM C CAD . CLA FX 33 . ? 67.453 -56.656 -43.688 1.00 69.42 ? 507 CLA C CAD 1 ? ? +56247 HETATM O OBD . CLA FX 33 . ? 68.525 -56.162 -43.198 1.00 69.97 ? 507 CLA C OBD 1 ? ? +56248 HETATM C CBD . CLA FX 33 . ? 66.350 -57.244 -42.881 1.00 68.69 ? 507 CLA C CBD 1 ? ? +56249 HETATM C CGD . CLA FX 33 . ? 66.995 -58.434 -42.219 1.00 69.04 ? 507 CLA C CGD 1 ? ? +56250 HETATM O O1D . CLA FX 33 . ? 67.013 -58.618 -41.019 1.00 68.81 ? 507 CLA C O1D 1 ? ? +56251 HETATM O O2D . CLA FX 33 . ? 67.666 -59.403 -43.054 1.00 69.52 ? 507 CLA C O2D 1 ? ? +56252 HETATM C CED . CLA FX 33 . ? 68.339 -60.537 -42.519 1.00 70.36 ? 507 CLA C CED 1 ? ? +56253 HETATM C C1 . CLA FX 33 . ? 60.142 -53.409 -42.468 1.00 77.74 ? 507 CLA C C1 1 ? ? +56254 HETATM C C2 . CLA FX 33 . ? 60.411 -52.296 -43.448 1.00 81.43 ? 507 CLA C C2 1 ? ? +56255 HETATM C C3 . CLA FX 33 . ? 61.189 -51.251 -43.138 1.00 88.40 ? 507 CLA C C3 1 ? ? +56256 HETATM C C4 . CLA FX 33 . ? 61.839 -51.187 -41.776 1.00 89.69 ? 507 CLA C C4 1 ? ? +56257 HETATM C C5 . CLA FX 33 . ? 61.399 -50.167 -44.190 1.00 94.01 ? 507 CLA C C5 1 ? ? +56258 HETATM C C6 . CLA FX 33 . ? 61.342 -48.740 -43.628 1.00 98.92 ? 507 CLA C C6 1 ? ? +56259 HETATM C C7 . CLA FX 33 . ? 59.983 -48.389 -43.029 1.00 104.87 ? 507 CLA C C7 1 ? ? +56260 HETATM C C8 . CLA FX 33 . ? 59.024 -47.449 -43.783 1.00 112.05 ? 507 CLA C C8 1 ? ? +56261 HETATM C C9 . CLA FX 33 . ? 59.338 -45.943 -43.832 1.00 113.32 ? 507 CLA C C9 1 ? ? +56262 HETATM C C10 . CLA FX 33 . ? 57.930 -48.208 -44.571 1.00 116.70 ? 507 CLA C C10 1 ? ? +56263 HETATM C C11 . CLA FX 33 . ? 57.216 -47.386 -45.654 1.00 120.57 ? 507 CLA C C11 1 ? ? +56264 HETATM C C12 . CLA FX 33 . ? 55.838 -47.986 -45.979 1.00 124.03 ? 507 CLA C C12 1 ? ? +56265 HETATM C C13 . CLA FX 33 . ? 55.075 -47.300 -47.131 1.00 121.88 ? 507 CLA C C13 1 ? ? +56266 HETATM C C14 . CLA FX 33 . ? 53.597 -47.684 -47.101 1.00 117.23 ? 507 CLA C C14 1 ? ? +56267 HETATM C C15 . CLA FX 33 . ? 55.745 -47.627 -48.465 1.00 119.95 ? 507 CLA C C15 1 ? ? +56268 HETATM C C16 . CLA FX 33 . ? 54.812 -47.547 -49.673 1.00 116.39 ? 507 CLA C C16 1 ? ? +56269 HETATM C C17 . CLA FX 33 . ? 55.550 -47.861 -50.973 1.00 115.17 ? 507 CLA C C17 1 ? ? +56270 HETATM C C18 . CLA FX 33 . ? 56.783 -47.012 -51.359 1.00 113.71 ? 507 CLA C C18 1 ? ? +56271 HETATM C C19 . CLA FX 33 . ? 56.702 -45.483 -51.421 1.00 113.45 ? 507 CLA C C19 1 ? ? +56272 HETATM C C20 . CLA FX 33 . ? 58.144 -47.723 -51.426 1.00 113.25 ? 507 CLA C C20 1 ? ? +56273 HETATM C C1 A GOL FY 38 . ? 18.409 -41.559 -71.083 0.40 60.59 ? 203 GOL V C1 1 ? ? +56274 HETATM C C1 B GOL FY 38 . ? 18.554 -41.416 -71.221 0.60 65.85 ? 203 GOL V C1 1 ? ? +56275 HETATM O O1 A GOL FY 38 . ? 19.408 -41.280 -70.102 0.40 60.08 ? 203 GOL V O1 1 ? ? +56276 HETATM O O1 B GOL FY 38 . ? 19.574 -41.120 -70.267 0.60 65.33 ? 203 GOL V O1 1 ? ? +56277 HETATM C C2 A GOL FY 38 . ? 18.370 -40.519 -72.188 0.40 60.59 ? 203 GOL V C2 1 ? ? +56278 HETATM C C2 B GOL FY 38 . ? 18.455 -40.367 -72.314 0.60 65.42 ? 203 GOL V C2 1 ? ? +56279 HETATM O O2 A GOL FY 38 . ? 19.369 -40.791 -73.172 0.40 60.86 ? 203 GOL V O2 1 ? ? +56280 HETATM O O2 B GOL FY 38 . ? 19.520 -40.515 -73.255 0.60 65.20 ? 203 GOL V O2 1 ? ? +56281 HETATM C C3 A GOL FY 38 . ? 17.015 -40.426 -72.857 0.40 60.49 ? 203 GOL V C3 1 ? ? +56282 HETATM C C3 B GOL FY 38 . ? 17.126 -40.398 -73.043 0.60 65.00 ? 203 GOL V C3 1 ? ? +56283 HETATM O O3 A GOL FY 38 . ? 16.360 -39.198 -72.550 0.40 59.92 ? 203 GOL V O3 1 ? ? +56284 HETATM O O3 B GOL FY 38 . ? 16.306 -39.289 -72.682 0.60 63.97 ? 203 GOL V O3 1 ? ? +56285 HETATM MG MG . CLA FZ 33 . ? 53.369 -4.165 -27.774 1.00 55.88 ? 606 CLA b MG 1 ? ? +56286 HETATM C CHA . CLA FZ 33 . ? 52.478 -5.790 -30.797 1.00 55.46 ? 606 CLA b CHA 1 ? ? +56287 HETATM C CHB . CLA FZ 33 . ? 50.165 -4.403 -26.820 1.00 54.23 ? 606 CLA b CHB 1 ? ? +56288 HETATM C CHC . CLA FZ 33 . ? 54.365 -4.371 -24.304 1.00 56.52 ? 606 CLA b CHC 1 ? ? +56289 HETATM C CHD . CLA FZ 33 . ? 56.811 -4.963 -28.519 1.00 57.99 ? 606 CLA b CHD 1 ? ? +56290 HETATM N NA . CLA FZ 33 . ? 51.685 -4.992 -28.593 1.00 54.97 ? 606 CLA b NA 1 ? ? +56291 HETATM C C1A . CLA FZ 33 . ? 51.467 -5.513 -29.770 1.00 54.98 ? 606 CLA b C1A 1 ? ? +56292 HETATM C C2A . CLA FZ 33 . ? 50.010 -5.641 -30.168 1.00 54.57 ? 606 CLA b C2A 1 ? ? +56293 HETATM C C3A . CLA FZ 33 . ? 49.280 -5.148 -28.940 1.00 54.02 ? 606 CLA b C3A 1 ? ? +56294 HETATM C C4A . CLA FZ 33 . ? 50.461 -4.817 -28.047 1.00 54.51 ? 606 CLA b C4A 1 ? ? +56295 HETATM C CMA . CLA FZ 33 . ? 48.436 -3.917 -29.223 1.00 53.70 ? 606 CLA b CMA 1 ? ? +56296 HETATM C CAA . CLA FZ 33 . ? 49.611 -7.037 -30.590 1.00 54.63 ? 606 CLA b CAA 1 ? ? +56297 HETATM C CBA . CLA FZ 33 . ? 50.082 -8.078 -29.590 1.00 55.36 ? 606 CLA b CBA 1 ? ? +56298 HETATM C CGA . CLA FZ 33 . ? 48.931 -8.755 -28.892 1.00 55.74 ? 606 CLA b CGA 1 ? ? +56299 HETATM O O1A . CLA FZ 33 . ? 47.747 -8.415 -29.034 1.00 55.55 ? 606 CLA b O1A 1 ? ? +56300 HETATM O O2A . CLA FZ 33 . ? 49.263 -9.869 -28.038 1.00 57.24 ? 606 CLA b O2A 1 ? ? +56301 HETATM N NB . CLA FZ 33 . ? 52.485 -4.385 -25.918 1.00 55.35 ? 606 CLA b NB 1 ? ? +56302 HETATM C C1B . CLA FZ 33 . ? 51.123 -4.350 -25.732 1.00 54.74 ? 606 CLA b C1B 1 ? ? +56303 HETATM C C2B . CLA FZ 33 . ? 50.585 -4.442 -24.367 1.00 54.39 ? 606 CLA b C2B 1 ? ? +56304 HETATM C C3B . CLA FZ 33 . ? 51.823 -4.446 -23.617 1.00 55.11 ? 606 CLA b C3B 1 ? ? +56305 HETATM C C4B . CLA FZ 33 . ? 52.933 -4.365 -24.632 1.00 55.68 ? 606 CLA b C4B 1 ? ? +56306 HETATM C CMB . CLA FZ 33 . ? 49.167 -4.493 -23.850 1.00 53.62 ? 606 CLA b CMB 1 ? ? +56307 HETATM C CAB . CLA FZ 33 . ? 51.721 -4.541 -22.138 1.00 55.20 ? 606 CLA b CAB 1 ? ? +56308 HETATM C CBB . CLA FZ 33 . ? 52.731 -4.709 -21.346 1.00 55.97 ? 606 CLA b CBB 1 ? ? +56309 HETATM N NC . CLA FZ 33 . ? 55.131 -4.598 -26.682 1.00 57.01 ? 606 CLA b NC 1 ? ? +56310 HETATM C C1C . CLA FZ 33 . ? 55.383 -4.550 -25.329 1.00 57.16 ? 606 CLA b C1C 1 ? ? +56311 HETATM C C2C . CLA FZ 33 . ? 56.786 -4.810 -24.894 1.00 58.14 ? 606 CLA b C2C 1 ? ? +56312 HETATM C C3C . CLA FZ 33 . ? 57.507 -4.967 -26.138 1.00 58.45 ? 606 CLA b C3C 1 ? ? +56313 HETATM C C4C . CLA FZ 33 . ? 56.428 -4.764 -27.129 1.00 57.75 ? 606 CLA b C4C 1 ? ? +56314 HETATM C CMC . CLA FZ 33 . ? 57.388 -4.871 -23.514 1.00 58.68 ? 606 CLA b CMC 1 ? ? +56315 HETATM C CAC . CLA FZ 33 . ? 58.982 -5.233 -26.328 1.00 59.35 ? 606 CLA b CAC 1 ? ? +56316 HETATM C CBC . CLA FZ 33 . ? 59.266 -6.707 -26.230 1.00 59.32 ? 606 CLA b CBC 1 ? ? +56317 HETATM N ND . CLA FZ 33 . ? 54.383 -5.363 -29.096 1.00 56.42 ? 606 CLA b ND 1 ? ? +56318 HETATM C C1D . CLA FZ 33 . ? 55.798 -5.247 -29.510 1.00 57.38 ? 606 CLA b C1D 1 ? ? +56319 HETATM C C2D . CLA FZ 33 . ? 56.045 -5.676 -30.928 1.00 57.54 ? 606 CLA b C2D 1 ? ? +56320 HETATM C C3D . CLA FZ 33 . ? 54.687 -5.829 -31.372 1.00 56.69 ? 606 CLA b C3D 1 ? ? +56321 HETATM C C4D . CLA FZ 33 . ? 53.845 -5.552 -30.370 1.00 56.22 ? 606 CLA b C4D 1 ? ? +56322 HETATM C CMD . CLA FZ 33 . ? 57.196 -5.861 -31.873 1.00 58.39 ? 606 CLA b CMD 1 ? ? +56323 HETATM C CAD . CLA FZ 33 . ? 53.926 -6.173 -32.580 1.00 56.41 ? 606 CLA b CAD 1 ? ? +56324 HETATM O OBD . CLA FZ 33 . ? 54.472 -6.451 -33.707 1.00 56.91 ? 606 CLA b OBD 1 ? ? +56325 HETATM C CBD . CLA FZ 33 . ? 52.446 -6.164 -32.262 1.00 55.47 ? 606 CLA b CBD 1 ? ? +56326 HETATM C CGD . CLA FZ 33 . ? 51.790 -5.236 -33.223 1.00 55.37 ? 606 CLA b CGD 1 ? ? +56327 HETATM O O1D . CLA FZ 33 . ? 52.218 -4.157 -33.519 1.00 55.94 ? 606 CLA b O1D 1 ? ? +56328 HETATM O O2D . CLA FZ 33 . ? 50.601 -5.573 -33.917 1.00 54.99 ? 606 CLA b O2D 1 ? ? +56329 HETATM C CED . CLA FZ 33 . ? 50.059 -4.565 -34.758 1.00 55.00 ? 606 CLA b CED 1 ? ? +56330 HETATM C C1 . CLA FZ 33 . ? 48.276 -10.542 -27.281 1.00 58.14 ? 606 CLA b C1 1 ? ? +56331 HETATM C C2 . CLA FZ 33 . ? 48.945 -11.710 -26.609 1.00 59.94 ? 606 CLA b C2 1 ? ? +56332 HETATM C C3 . CLA FZ 33 . ? 48.266 -12.539 -25.810 1.00 61.98 ? 606 CLA b C3 1 ? ? +56333 HETATM C C4 . CLA FZ 33 . ? 46.787 -12.319 -25.571 1.00 60.54 ? 606 CLA b C4 1 ? ? +56334 HETATM C C5 . CLA FZ 33 . ? 49.031 -13.690 -25.179 1.00 64.78 ? 606 CLA b C5 1 ? ? +56335 HETATM C C6 . CLA FZ 33 . ? 48.979 -14.891 -26.122 1.00 67.40 ? 606 CLA b C6 1 ? ? +56336 HETATM C C7 . CLA FZ 33 . ? 49.806 -16.067 -25.610 1.00 71.50 ? 606 CLA b C7 1 ? ? +56337 HETATM C C8 . CLA FZ 33 . ? 49.319 -17.454 -26.021 1.00 75.67 ? 606 CLA b C8 1 ? ? +56338 HETATM C C9 . CLA FZ 33 . ? 48.061 -17.641 -26.825 1.00 76.61 ? 606 CLA b C9 1 ? ? +56339 HETATM C C10 . CLA FZ 33 . ? 50.124 -18.737 -25.759 1.00 82.08 ? 606 CLA b C10 1 ? ? +56340 HETATM C C11 . CLA FZ 33 . ? 51.569 -18.830 -26.252 1.00 90.70 ? 606 CLA b C11 1 ? ? +56341 HETATM C C12 . CLA FZ 33 . ? 52.076 -20.276 -26.109 1.00 98.26 ? 606 CLA b C12 1 ? ? +56342 HETATM C C13 . CLA FZ 33 . ? 53.265 -20.510 -25.150 1.00 106.93 ? 606 CLA b C13 1 ? ? +56343 HETATM C C14 . CLA FZ 33 . ? 54.499 -19.643 -25.447 1.00 106.23 ? 606 CLA b C14 1 ? ? +56344 HETATM C C15 . CLA FZ 33 . ? 53.684 -21.995 -25.129 1.00 114.53 ? 606 CLA b C15 1 ? ? +56345 HETATM C C16 . CLA FZ 33 . ? 52.536 -23.016 -25.276 1.00 117.78 ? 606 CLA b C16 1 ? ? +56346 HETATM C C17 . CLA FZ 33 . ? 52.172 -23.726 -23.971 1.00 121.96 ? 606 CLA b C17 1 ? ? +56347 HETATM C C18 . CLA FZ 33 . ? 52.354 -25.250 -24.079 1.00 125.52 ? 606 CLA b C18 1 ? ? +56348 HETATM C C19 . CLA FZ 33 . ? 53.547 -25.850 -24.841 1.00 123.34 ? 606 CLA b C19 1 ? ? +56349 HETATM C C20 . CLA FZ 33 . ? 51.519 -26.132 -23.152 1.00 127.07 ? 606 CLA b C20 1 ? ? +56350 HETATM MG MG . CLA GA 33 . ? -12.129 27.421 16.758 1.00 60.45 ? 503 CLA c MG 1 ? ? +56351 HETATM C CHA . CLA GA 33 . ? -15.145 28.462 15.646 1.00 61.28 ? 503 CLA c CHA 1 ? ? +56352 HETATM C CHB . CLA GA 33 . ? -11.281 30.637 17.510 1.00 61.56 ? 503 CLA c CHB 1 ? ? +56353 HETATM C CHC . CLA GA 33 . ? -9.528 26.302 18.798 1.00 60.14 ? 503 CLA c CHC 1 ? ? +56354 HETATM C CHD . CLA GA 33 . ? -13.550 24.083 17.193 1.00 59.96 ? 503 CLA c CHD 1 ? ? +56355 HETATM N NA . CLA GA 33 . ? -13.044 29.219 16.682 1.00 61.28 ? 503 CLA c NA 1 ? ? +56356 HETATM C C1A . CLA GA 33 . ? -14.178 29.474 16.108 1.00 61.53 ? 503 CLA c C1A 1 ? ? +56357 HETATM C C2A . CLA GA 33 . ? -14.468 30.923 15.856 1.00 62.04 ? 503 CLA c C2A 1 ? ? +56358 HETATM C C3A . CLA GA 33 . ? -13.249 31.593 16.420 1.00 62.05 ? 503 CLA c C3A 1 ? ? +56359 HETATM C C4A . CLA GA 33 . ? -12.469 30.412 16.942 1.00 61.62 ? 503 CLA c C4A 1 ? ? +56360 HETATM C CMA . CLA GA 33 . ? -12.518 32.396 15.347 1.00 61.81 ? 503 CLA c CMA 1 ? ? +56361 HETATM C CAA . CLA GA 33 . ? -15.742 31.399 16.547 1.00 62.93 ? 503 CLA c CAA 1 ? ? +56362 HETATM C CBA . CLA GA 33 . ? -15.711 31.082 18.036 1.00 63.43 ? 503 CLA c CBA 1 ? ? +56363 HETATM C CGA . CLA GA 33 . ? -17.083 31.189 18.629 1.00 64.21 ? 503 CLA c CGA 1 ? ? +56364 HETATM O O1A . CLA GA 33 . ? -17.848 32.062 18.299 1.00 64.56 ? 503 CLA c O1A 1 ? ? +56365 HETATM O O2A . CLA GA 33 . ? -17.454 30.228 19.637 1.00 64.62 ? 503 CLA c O2A 1 ? ? +56366 HETATM N NB . CLA GA 33 . ? -10.723 28.292 17.984 1.00 60.79 ? 503 CLA c NB 1 ? ? +56367 HETATM C C1B . CLA GA 33 . ? -10.417 29.606 18.082 1.00 61.21 ? 503 CLA c C1B 1 ? ? +56368 HETATM C C2B . CLA GA 33 . ? -9.239 29.974 18.921 1.00 61.42 ? 503 CLA c C2B 1 ? ? +56369 HETATM C C3B . CLA GA 33 . ? -8.765 28.659 19.323 1.00 61.06 ? 503 CLA c C3B 1 ? ? +56370 HETATM C C4B . CLA GA 33 . ? -9.682 27.734 18.634 1.00 60.61 ? 503 CLA c C4B 1 ? ? +56371 HETATM C CMB . CLA GA 33 . ? -8.730 31.349 19.247 1.00 61.96 ? 503 CLA c CMB 1 ? ? +56372 HETATM C CAB . CLA GA 33 . ? -7.549 28.244 20.077 1.00 61.15 ? 503 CLA c CAB 1 ? ? +56373 HETATM C CBB . CLA GA 33 . ? -6.497 29.027 20.229 1.00 61.33 ? 503 CLA c CBB 1 ? ? +56374 HETATM N NC . CLA GA 33 . ? -11.686 25.657 17.782 1.00 60.06 ? 503 CLA c NC 1 ? ? +56375 HETATM C C1C . CLA GA 33 . ? -10.553 25.342 18.454 1.00 59.91 ? 503 CLA c C1C 1 ? ? +56376 HETATM C C2C . CLA GA 33 . ? -10.403 23.984 18.997 1.00 59.62 ? 503 CLA c C2C 1 ? ? +56377 HETATM C C3C . CLA GA 33 . ? -11.590 23.348 18.503 1.00 59.54 ? 503 CLA c C3C 1 ? ? +56378 HETATM C C4C . CLA GA 33 . ? -12.246 24.412 17.748 1.00 59.81 ? 503 CLA c C4C 1 ? ? +56379 HETATM C CMC . CLA GA 33 . ? -9.311 23.361 19.818 1.00 59.54 ? 503 CLA c CMC 1 ? ? +56380 HETATM C CAC . CLA GA 33 . ? -11.986 21.916 18.656 1.00 59.29 ? 503 CLA c CAC 1 ? ? +56381 HETATM C CBC . CLA GA 33 . ? -11.372 21.258 17.428 1.00 58.48 ? 503 CLA c CBC 1 ? ? +56382 HETATM N ND . CLA GA 33 . ? -13.969 26.547 16.828 1.00 60.70 ? 503 CLA c ND 1 ? ? +56383 HETATM C C1D . CLA GA 33 . ? -14.307 25.137 16.594 1.00 60.27 ? 503 CLA c C1D 1 ? ? +56384 HETATM C C2D . CLA GA 33 . ? -15.550 24.931 15.833 1.00 60.38 ? 503 CLA c C2D 1 ? ? +56385 HETATM C C3D . CLA GA 33 . ? -15.841 26.314 15.460 1.00 60.73 ? 503 CLA c C3D 1 ? ? +56386 HETATM C C4D . CLA GA 33 . ? -14.861 27.090 15.929 1.00 60.80 ? 503 CLA c C4D 1 ? ? +56387 HETATM C CMD . CLA GA 33 . ? -16.389 23.746 15.480 1.00 60.28 ? 503 CLA c CMD 1 ? ? +56388 HETATM C CAD . CLA GA 33 . ? -16.806 27.143 14.700 1.00 61.04 ? 503 CLA c CAD 1 ? ? +56389 HETATM O OBD . CLA GA 33 . ? -17.832 26.719 14.065 1.00 61.00 ? 503 CLA c OBD 1 ? ? +56390 HETATM C CBD . CLA GA 33 . ? -16.335 28.559 14.759 1.00 61.39 ? 503 CLA c CBD 1 ? ? +56391 HETATM C CGD . CLA GA 33 . ? -15.834 28.969 13.403 1.00 60.97 ? 503 CLA c CGD 1 ? ? +56392 HETATM O O1D . CLA GA 33 . ? -15.853 30.106 12.959 1.00 61.20 ? 503 CLA c O1D 1 ? ? +56393 HETATM O O2D . CLA GA 33 . ? -15.255 27.985 12.529 1.00 60.30 ? 503 CLA c O2D 1 ? ? +56394 HETATM C CED . CLA GA 33 . ? -15.198 28.360 11.161 1.00 60.05 ? 503 CLA c CED 1 ? ? +56395 HETATM C C1 . CLA GA 33 . ? -18.778 30.153 20.094 1.00 65.38 ? 503 CLA c C1 1 ? ? +56396 HETATM C C2 . CLA GA 33 . ? -18.866 30.703 21.493 1.00 66.27 ? 503 CLA c C2 1 ? ? +56397 HETATM C C3 . CLA GA 33 . ? -19.375 29.980 22.498 1.00 66.88 ? 503 CLA c C3 1 ? ? +56398 HETATM C C4 . CLA GA 33 . ? -19.892 28.589 22.281 1.00 66.59 ? 503 CLA c C4 1 ? ? +56399 HETATM C C5 . CLA GA 33 . ? -19.516 30.586 23.871 1.00 67.98 ? 503 CLA c C5 1 ? ? +56400 HETATM C C6 . CLA GA 33 . ? -21.012 30.906 24.106 1.00 68.91 ? 503 CLA c C6 1 ? ? +56401 HETATM C C7 . CLA GA 33 . ? -21.519 31.905 23.063 1.00 69.13 ? 503 CLA c C7 1 ? ? +56402 HETATM C C8 . CLA GA 33 . ? -23.024 32.074 22.810 1.00 69.84 ? 503 CLA c C8 1 ? ? +56403 HETATM C C9 . CLA GA 33 . ? -24.118 31.088 23.224 1.00 70.12 ? 503 CLA c C9 1 ? ? +56404 HETATM C C10 . CLA GA 33 . ? -23.344 33.475 22.283 1.00 70.42 ? 503 CLA c C10 1 ? ? +56405 HETATM C C11 . CLA GA 33 . ? -24.789 33.949 22.297 1.00 71.33 ? 503 CLA c C11 1 ? ? +56406 HETATM C C12 . CLA GA 33 . ? -24.843 35.190 21.416 1.00 71.61 ? 503 CLA c C12 1 ? ? +56407 HETATM C C13 . CLA GA 33 . ? -26.257 35.675 21.155 1.00 72.47 ? 503 CLA c C13 1 ? ? +56408 HETATM C C14 . CLA GA 33 . ? -26.382 36.210 19.739 1.00 72.24 ? 503 CLA c C14 1 ? ? +56409 HETATM C C15 . CLA GA 33 . ? -26.574 36.766 22.156 1.00 73.62 ? 503 CLA c C15 1 ? ? +56410 HETATM C C16 . CLA GA 33 . ? -28.032 37.208 22.093 1.00 74.64 ? 503 CLA c C16 1 ? ? +56411 HETATM C C17 . CLA GA 33 . ? -28.242 38.200 23.223 1.00 75.63 ? 503 CLA c C17 1 ? ? +56412 HETATM C C18 . CLA GA 33 . ? -29.654 38.713 23.400 1.00 76.73 ? 503 CLA c C18 1 ? ? +56413 HETATM C C19 . CLA GA 33 . ? -29.890 40.220 23.420 1.00 77.57 ? 503 CLA c C19 1 ? ? +56414 HETATM C C20 . CLA GA 33 . ? -30.845 37.769 23.353 1.00 77.11 ? 503 CLA c C20 1 ? ? +56415 HETATM C C A BCT GB 43 . ? 17.025 -2.275 20.653 0.40 54.69 ? 401 BCT d C 1 ? ? +56416 HETATM C C B BCT GB 43 . ? 16.417 -2.671 20.592 0.60 55.11 ? 401 BCT d C 1 ? ? +56417 HETATM O O1 A BCT GB 43 . ? 16.160 -2.746 19.926 0.40 54.18 ? 401 BCT d O1 1 ? ? +56418 HETATM O O1 B BCT GB 43 . ? 15.391 -2.578 19.950 0.60 54.62 ? 401 BCT d O1 1 ? ? +56419 HETATM O O2 A BCT GB 43 . ? 17.582 -1.229 20.362 0.40 54.63 ? 401 BCT d O2 1 ? ? +56420 HETATM O O2 B BCT GB 43 . ? 17.313 -1.842 20.440 0.60 55.13 ? 401 BCT d O2 1 ? ? +56421 HETATM O O3 A BCT GB 43 . ? 17.373 -2.919 21.797 0.40 55.23 ? 401 BCT d O3 1 ? ? +56422 HETATM O O3 B BCT GB 43 . ? 16.569 -3.716 21.455 0.60 55.49 ? 401 BCT d O3 1 ? ? +56423 HETATM C CHA A PHO GC 32 . ? 32.583 -46.241 -32.138 0.40 46.11 ? 407 PHO A CHA 1 ? ? +56424 HETATM C CHA B PHO GC 32 . ? 32.606 -46.244 -32.131 0.60 45.68 ? 407 PHO A CHA 1 ? ? +56425 HETATM C CHB A PHO GC 32 . ? 30.084 -42.688 -34.130 0.40 44.70 ? 407 PHO A CHB 1 ? ? +56426 HETATM C CHB B PHO GC 32 . ? 30.071 -42.699 -34.099 0.60 44.33 ? 407 PHO A CHB 1 ? ? +56427 HETATM C CHC A PHO GC 32 . ? 27.292 -46.005 -36.360 0.40 44.75 ? 407 PHO A CHC 1 ? ? +56428 HETATM C CHC B PHO GC 32 . ? 27.276 -45.996 -36.351 0.60 44.35 ? 407 PHO A CHC 1 ? ? +56429 HETATM C CHD A PHO GC 32 . ? 29.629 -49.619 -34.221 0.40 46.12 ? 407 PHO A CHD 1 ? ? +56430 HETATM C CHD B PHO GC 32 . ? 29.632 -49.606 -34.216 0.60 45.68 ? 407 PHO A CHD 1 ? ? +56431 HETATM N NA A PHO GC 32 . ? 31.146 -44.702 -33.216 0.40 45.39 ? 407 PHO A NA 1 ? ? +56432 HETATM N NA B PHO GC 32 . ? 31.141 -44.711 -33.186 0.60 44.99 ? 407 PHO A NA 1 ? ? +56433 HETATM C C1A A PHO GC 32 . ? 32.206 -44.952 -32.399 0.40 45.75 ? 407 PHO A C1A 1 ? ? +56434 HETATM C C1A B PHO GC 32 . ? 32.214 -44.952 -32.381 0.60 45.36 ? 407 PHO A C1A 1 ? ? +56435 HETATM C C2A A PHO GC 32 . ? 32.867 -43.698 -31.884 0.40 45.73 ? 407 PHO A C2A 1 ? ? +56436 HETATM C C2A B PHO GC 32 . ? 32.871 -43.690 -31.879 0.60 45.36 ? 407 PHO A C2A 1 ? ? +56437 HETATM C C3A A PHO GC 32 . ? 31.819 -42.641 -32.214 0.40 45.21 ? 407 PHO A C3A 1 ? ? +56438 HETATM C C3A B PHO GC 32 . ? 31.800 -42.647 -32.188 0.60 44.83 ? 407 PHO A C3A 1 ? ? +56439 HETATM C C4A A PHO GC 32 . ? 30.980 -43.341 -33.261 0.40 45.07 ? 407 PHO A C4A 1 ? ? +56440 HETATM C C4A B PHO GC 32 . ? 30.967 -43.354 -33.233 0.60 44.68 ? 407 PHO A C4A 1 ? ? +56441 HETATM C CMA A PHO GC 32 . ? 30.982 -42.168 -31.029 0.40 45.01 ? 407 PHO A CMA 1 ? ? +56442 HETATM C CMA B PHO GC 32 . ? 30.968 -42.191 -30.994 0.60 44.63 ? 407 PHO A CMA 1 ? ? +56443 HETATM C CAA A PHO GC 32 . ? 34.224 -43.427 -32.529 0.40 46.03 ? 407 PHO A CAA 1 ? ? +56444 HETATM C CAA B PHO GC 32 . ? 34.213 -43.422 -32.556 0.60 45.66 ? 407 PHO A CAA 1 ? ? +56445 HETATM C CBA A PHO GC 32 . ? 34.930 -42.232 -31.901 0.40 46.10 ? 407 PHO A CBA 1 ? ? +56446 HETATM C CBA B PHO GC 32 . ? 34.941 -42.223 -31.963 0.60 45.78 ? 407 PHO A CBA 1 ? ? +56447 HETATM C CGA A PHO GC 32 . ? 36.091 -41.722 -32.725 0.40 46.37 ? 407 PHO A CGA 1 ? ? +56448 HETATM C CGA B PHO GC 32 . ? 36.262 -41.925 -32.648 0.60 46.17 ? 407 PHO A CGA 1 ? ? +56449 HETATM O O1A A PHO GC 32 . ? 36.366 -42.090 -33.842 0.40 46.49 ? 407 PHO A O1A 1 ? ? +56450 HETATM O O1A B PHO GC 32 . ? 36.734 -42.564 -33.561 0.60 46.44 ? 407 PHO A O1A 1 ? ? +56451 HETATM O O2A A PHO GC 32 . ? 36.799 -40.797 -32.066 0.40 46.47 ? 407 PHO A O2A 1 ? ? +56452 HETATM O O2A B PHO GC 32 . ? 36.876 -40.868 -32.079 0.60 46.26 ? 407 PHO A O2A 1 ? ? +56453 HETATM N NB A PHO GC 32 . ? 28.847 -44.588 -35.067 0.40 44.76 ? 407 PHO A NB 1 ? ? +56454 HETATM N NB B PHO GC 32 . ? 28.829 -44.586 -35.058 0.60 44.39 ? 407 PHO A NB 1 ? ? +56455 HETATM C C1B A PHO GC 32 . ? 29.144 -43.245 -34.969 0.40 44.56 ? 407 PHO A C1B 1 ? ? +56456 HETATM C C1B B PHO GC 32 . ? 29.126 -43.245 -34.945 0.60 44.19 ? 407 PHO A C1B 1 ? ? +56457 HETATM C C2B A PHO GC 32 . ? 28.304 -42.562 -35.901 0.40 44.23 ? 407 PHO A C2B 1 ? ? +56458 HETATM C C2B B PHO GC 32 . ? 28.280 -42.550 -35.871 0.60 43.89 ? 407 PHO A C2B 1 ? ? +56459 HETATM C C3B A PHO GC 32 . ? 27.490 -43.525 -36.530 0.40 44.27 ? 407 PHO A C3B 1 ? ? +56460 HETATM C C3B B PHO GC 32 . ? 27.444 -43.507 -36.497 0.60 43.89 ? 407 PHO A C3B 1 ? ? +56461 HETATM C C4B A PHO GC 32 . ? 27.847 -44.785 -36.000 0.40 44.60 ? 407 PHO A C4B 1 ? ? +56462 HETATM C C4B B PHO GC 32 . ? 27.824 -44.774 -35.987 0.60 44.22 ? 407 PHO A C4B 1 ? ? +56463 HETATM C CMB A PHO GC 32 . ? 28.301 -41.077 -36.121 0.40 43.93 ? 407 PHO A CMB 1 ? ? +56464 HETATM C CMB B PHO GC 32 . ? 28.270 -41.061 -36.057 0.60 43.59 ? 407 PHO A CMB 1 ? ? +56465 HETATM C CAB A PHO GC 32 . ? 26.491 -43.325 -37.570 0.40 44.06 ? 407 PHO A CAB 1 ? ? +56466 HETATM C CAB B PHO GC 32 . ? 26.440 -43.351 -37.554 0.60 43.69 ? 407 PHO A CAB 1 ? ? +56467 HETATM C CBB A PHO GC 32 . ? 26.229 -42.203 -38.183 0.40 43.80 ? 407 PHO A CBB 1 ? ? +56468 HETATM C CBB B PHO GC 32 . ? 26.243 -42.320 -38.334 0.60 43.46 ? 407 PHO A CBB 1 ? ? +56469 HETATM N NC A PHO GC 32 . ? 28.684 -47.563 -35.111 0.40 45.39 ? 407 PHO A NC 1 ? ? +56470 HETATM N NC B PHO GC 32 . ? 28.686 -47.549 -35.124 0.60 44.96 ? 407 PHO A NC 1 ? ? +56471 HETATM C C1C A PHO GC 32 . ? 27.645 -47.274 -35.949 0.40 45.11 ? 407 PHO A C1C 1 ? ? +56472 HETATM C C1C B PHO GC 32 . ? 27.636 -47.263 -35.949 0.60 44.69 ? 407 PHO A C1C 1 ? ? +56473 HETATM C C2C A PHO GC 32 . ? 26.960 -48.493 -36.353 0.40 45.27 ? 407 PHO A C2C 1 ? ? +56474 HETATM C C2C B PHO GC 32 . ? 26.955 -48.485 -36.353 0.60 44.84 ? 407 PHO A C2C 1 ? ? +56475 HETATM C C3C A PHO GC 32 . ? 27.636 -49.527 -35.788 0.40 45.66 ? 407 PHO A C3C 1 ? ? +56476 HETATM C C3C B PHO GC 32 . ? 27.641 -49.517 -35.795 0.60 45.23 ? 407 PHO A C3C 1 ? ? +56477 HETATM C C4C A PHO GC 32 . ? 28.697 -48.925 -34.994 0.40 45.73 ? 407 PHO A C4C 1 ? ? +56478 HETATM C C4C B PHO GC 32 . ? 28.698 -48.910 -34.998 0.60 45.29 ? 407 PHO A C4C 1 ? ? +56479 HETATM C CMC A PHO GC 32 . ? 25.757 -48.579 -37.247 0.40 45.04 ? 407 PHO A CMC 1 ? ? +56480 HETATM C CMC B PHO GC 32 . ? 25.750 -48.572 -37.246 0.60 44.61 ? 407 PHO A CMC 1 ? ? +56481 HETATM C CAC A PHO GC 32 . ? 27.362 -50.997 -35.939 0.40 46.01 ? 407 PHO A CAC 1 ? ? +56482 HETATM C CAC B PHO GC 32 . ? 27.383 -50.989 -35.949 0.60 45.59 ? 407 PHO A CAC 1 ? ? +56483 HETATM C CBC A PHO GC 32 . ? 28.472 -51.722 -36.689 0.40 46.39 ? 407 PHO A CBC 1 ? ? +56484 HETATM C CBC B PHO GC 32 . ? 28.459 -51.681 -36.777 0.60 45.94 ? 407 PHO A CBC 1 ? ? +56485 HETATM N ND A PHO GC 32 . ? 30.795 -47.684 -33.397 0.40 45.90 ? 407 PHO A ND 1 ? ? +56486 HETATM N ND B PHO GC 32 . ? 30.808 -47.680 -33.384 0.60 45.45 ? 407 PHO A ND 1 ? ? +56487 HETATM C C1D A PHO GC 32 . ? 30.658 -49.053 -33.478 0.40 46.21 ? 407 PHO A C1D 1 ? ? +56488 HETATM C C1D B PHO GC 32 . ? 30.669 -49.049 -33.473 0.60 45.75 ? 407 PHO A C1D 1 ? ? +56489 HETATM C C2D A PHO GC 32 . ? 31.706 -49.670 -32.742 0.40 46.65 ? 407 PHO A C2D 1 ? ? +56490 HETATM C C2D B PHO GC 32 . ? 31.730 -49.673 -32.754 0.60 46.20 ? 407 PHO A C2D 1 ? ? +56491 HETATM C C3D A PHO GC 32 . ? 32.490 -48.606 -32.199 0.40 46.62 ? 407 PHO A C3D 1 ? ? +56492 HETATM C C3D B PHO GC 32 . ? 32.518 -48.611 -32.210 0.60 46.17 ? 407 PHO A C3D 1 ? ? +56493 HETATM C C4D A PHO GC 32 . ? 31.892 -47.414 -32.620 0.40 46.17 ? 407 PHO A C4D 1 ? ? +56494 HETATM C C4D B PHO GC 32 . ? 31.913 -47.415 -32.617 0.60 45.73 ? 407 PHO A C4D 1 ? ? +56495 HETATM C CMD A PHO GC 32 . ? 31.937 -51.143 -32.573 0.40 47.08 ? 407 PHO A CMD 1 ? ? +56496 HETATM C CMD B PHO GC 32 . ? 31.972 -51.145 -32.592 0.60 46.62 ? 407 PHO A CMD 1 ? ? +56497 HETATM C CAD A PHO GC 32 . ? 33.668 -48.279 -31.374 0.40 46.90 ? 407 PHO A CAD 1 ? ? +56498 HETATM C CAD B PHO GC 32 . ? 33.709 -48.289 -31.401 0.60 46.44 ? 407 PHO A CAD 1 ? ? +56499 HETATM O OBD A PHO GC 32 . ? 34.435 -49.032 -30.810 0.40 47.33 ? 407 PHO A OBD 1 ? ? +56500 HETATM O OBD B PHO GC 32 . ? 34.496 -49.047 -30.871 0.60 46.87 ? 407 PHO A OBD 1 ? ? +56501 HETATM C CBD A PHO GC 32 . ? 33.799 -46.743 -31.353 0.40 46.58 ? 407 PHO A CBD 1 ? ? +56502 HETATM C CBD B PHO GC 32 . ? 33.832 -46.754 -31.355 0.60 46.13 ? 407 PHO A CBD 1 ? ? +56503 HETATM C CGD A PHO GC 32 . ? 33.843 -46.240 -29.937 0.40 46.60 ? 407 PHO A CGD 1 ? ? +56504 HETATM C CGD B PHO GC 32 . ? 33.881 -46.271 -29.931 0.60 46.15 ? 407 PHO A CGD 1 ? ? +56505 HETATM O O1D A PHO GC 32 . ? 34.847 -45.878 -29.385 0.40 46.79 ? 407 PHO A O1D 1 ? ? +56506 HETATM O O1D B PHO GC 32 . ? 34.886 -45.894 -29.390 0.60 46.31 ? 407 PHO A O1D 1 ? ? +56507 HETATM O O2D A PHO GC 32 . ? 32.631 -46.244 -29.372 0.40 46.29 ? 407 PHO A O2D 1 ? ? +56508 HETATM O O2D B PHO GC 32 . ? 32.666 -46.286 -29.363 0.60 45.84 ? 407 PHO A O2D 1 ? ? +56509 HETATM C CED A PHO GC 32 . ? 32.563 -45.801 -27.996 0.40 46.31 ? 407 PHO A CED 1 ? ? +56510 HETATM C CED B PHO GC 32 . ? 32.574 -45.811 -27.998 0.60 45.83 ? 407 PHO A CED 1 ? ? +56511 HETATM C C1 A PHO GC 32 . ? 37.854 -40.160 -32.811 0.40 46.63 ? 407 PHO A C1 1 ? ? +56512 HETATM C C1 B PHO GC 32 . ? 37.939 -40.223 -32.813 0.60 46.43 ? 407 PHO A C1 1 ? ? +56513 HETATM C C2 A PHO GC 32 . ? 37.424 -38.797 -33.268 0.40 46.23 ? 407 PHO A C2 1 ? ? +56514 HETATM C C2 B PHO GC 32 . ? 37.487 -38.865 -33.291 0.60 46.04 ? 407 PHO A C2 1 ? ? +56515 HETATM C C3 A PHO GC 32 . ? 37.044 -37.825 -32.445 0.40 45.99 ? 407 PHO A C3 1 ? ? +56516 HETATM C C3 B PHO GC 32 . ? 37.219 -37.825 -32.503 0.60 45.84 ? 407 PHO A C3 1 ? ? +56517 HETATM C C4 A PHO GC 32 . ? 36.999 -38.000 -30.956 0.40 46.07 ? 407 PHO A C4 1 ? ? +56518 HETATM C C4 B PHO GC 32 . ? 37.389 -37.883 -31.012 0.60 46.05 ? 407 PHO A C4 1 ? ? +56519 HETATM C C5 A PHO GC 32 . ? 36.616 -36.473 -32.947 0.40 45.63 ? 407 PHO A C5 1 ? ? +56520 HETATM C C5 B PHO GC 32 . ? 36.689 -36.509 -33.019 0.60 45.47 ? 407 PHO A C5 1 ? ? +56521 HETATM C C6 A PHO GC 32 . ? 36.432 -36.402 -34.433 0.40 45.50 ? 407 PHO A C6 1 ? ? +56522 HETATM C C6 B PHO GC 32 . ? 36.507 -36.422 -34.506 0.60 45.32 ? 407 PHO A C6 1 ? ? +56523 HETATM C C7 A PHO GC 32 . ? 35.994 -35.027 -34.907 0.40 45.19 ? 407 PHO A C7 1 ? ? +56524 HETATM C C7 B PHO GC 32 . ? 35.961 -35.073 -34.941 0.60 44.98 ? 407 PHO A C7 1 ? ? +56525 HETATM C C8 A PHO GC 32 . ? 35.952 -34.821 -36.422 0.40 45.13 ? 407 PHO A C8 1 ? ? +56526 HETATM C C8 B PHO GC 32 . ? 35.988 -34.789 -36.443 0.60 44.93 ? 407 PHO A C8 1 ? ? +56527 HETATM C C9 A PHO GC 32 . ? 37.320 -34.459 -36.975 0.40 45.53 ? 407 PHO A C9 1 ? ? +56528 HETATM C C9 B PHO GC 32 . ? 37.382 -34.401 -36.906 0.60 45.35 ? 407 PHO A C9 1 ? ? +56529 HETATM C C10 A PHO GC 32 . ? 34.906 -33.780 -36.820 0.40 44.68 ? 407 PHO A C10 1 ? ? +56530 HETATM C C10 B PHO GC 32 . ? 34.955 -33.725 -36.831 0.60 44.48 ? 407 PHO A C10 1 ? ? +56531 HETATM C C11 A PHO GC 32 . ? 34.981 -33.303 -38.246 0.40 44.67 ? 407 PHO A C11 1 ? ? +56532 HETATM C C11 B PHO GC 32 . ? 34.975 -33.279 -38.274 0.60 44.44 ? 407 PHO A C11 1 ? ? +56533 HETATM C C12 A PHO GC 32 . ? 34.888 -34.414 -39.255 0.40 44.77 ? 407 PHO A C12 1 ? ? +56534 HETATM C C12 B PHO GC 32 . ? 34.891 -34.394 -39.284 0.60 44.56 ? 407 PHO A C12 1 ? ? +56535 HETATM C C13 A PHO GC 32 . ? 33.579 -35.193 -39.227 0.40 44.50 ? 407 PHO A C13 1 ? ? +56536 HETATM C C13 B PHO GC 32 . ? 33.596 -35.197 -39.250 0.60 44.30 ? 407 PHO A C13 1 ? ? +56537 HETATM C C14 A PHO GC 32 . ? 33.684 -36.495 -39.999 0.40 44.70 ? 407 PHO A C14 1 ? ? +56538 HETATM C C14 B PHO GC 32 . ? 33.740 -36.519 -39.981 0.60 44.53 ? 407 PHO A C14 1 ? ? +56539 HETATM C C15 A PHO GC 32 . ? 32.419 -34.342 -39.728 0.40 44.12 ? 407 PHO A C15 1 ? ? +56540 HETATM C C15 B PHO GC 32 . ? 32.437 -34.378 -39.798 0.60 43.94 ? 407 PHO A C15 1 ? ? +56541 HETATM C C16 A PHO GC 32 . ? 31.100 -35.051 -39.809 0.40 43.89 ? 407 PHO A C16 1 ? ? +56542 HETATM C C16 B PHO GC 32 . ? 31.107 -35.057 -39.760 0.60 43.71 ? 407 PHO A C16 1 ? ? +56543 HETATM C C17 A PHO GC 32 . ? 29.903 -34.137 -39.787 0.40 43.52 ? 407 PHO A C17 1 ? ? +56544 HETATM C C17 B PHO GC 32 . ? 29.936 -34.110 -39.793 0.60 43.35 ? 407 PHO A C17 1 ? ? +56545 HETATM C C18 A PHO GC 32 . ? 28.564 -34.855 -39.752 0.40 43.35 ? 407 PHO A C18 1 ? ? +56546 HETATM C C18 B PHO GC 32 . ? 28.581 -34.787 -39.749 0.60 43.19 ? 407 PHO A C18 1 ? ? +56547 HETATM C C19 A PHO GC 32 . ? 28.419 -35.779 -40.951 0.40 43.46 ? 407 PHO A C19 1 ? ? +56548 HETATM C C19 B PHO GC 32 . ? 28.419 -35.745 -40.919 0.60 43.32 ? 407 PHO A C19 1 ? ? +56549 HETATM C C20 A PHO GC 32 . ? 27.398 -33.873 -39.683 0.40 43.05 ? 407 PHO A C20 1 ? ? +56550 HETATM C C20 B PHO GC 32 . ? 27.442 -33.769 -39.722 0.60 42.91 ? 407 PHO A C20 1 ? ? +56551 HETATM MG MG . CLA GD 33 . ? -2.122 -32.717 -16.639 1.00 47.98 ? 613 CLA B MG 1 ? ? +56552 HETATM C CHA . CLA GD 33 . ? 0.891 -33.010 -14.979 1.00 47.52 ? 613 CLA B CHA 1 ? ? +56553 HETATM C CHB . CLA GD 33 . ? -2.336 -36.006 -16.970 1.00 48.75 ? 613 CLA B CHB 1 ? ? +56554 HETATM C CHC . CLA GD 33 . ? -4.644 -32.263 -19.019 1.00 48.06 ? 613 CLA B CHC 1 ? ? +56555 HETATM C CHD . CLA GD 33 . ? -1.397 -29.165 -17.149 1.00 47.07 ? 613 CLA B CHD 1 ? ? +56556 HETATM N NA . CLA GD 33 . ? -0.862 -34.238 -16.218 1.00 48.21 ? 613 CLA B NA 1 ? ? +56557 HETATM C C1A . CLA GD 33 . ? 0.171 -34.224 -15.418 1.00 48.09 ? 613 CLA B C1A 1 ? ? +56558 HETATM C C2A . CLA GD 33 . ? 0.649 -35.595 -14.998 1.00 48.60 ? 613 CLA B C2A 1 ? ? +56559 HETATM C C3A . CLA GD 33 . ? -0.251 -36.493 -15.811 1.00 48.79 ? 613 CLA B C3A 1 ? ? +56560 HETATM C C4A . CLA GD 33 . ? -1.201 -35.522 -16.426 1.00 48.55 ? 613 CLA B C4A 1 ? ? +56561 HETATM C CMA . CLA GD 33 . ? 0.488 -37.331 -16.860 1.00 48.72 ? 613 CLA B CMA 1 ? ? +56562 HETATM C CAA . CLA GD 33 . ? 0.558 -35.840 -13.482 1.00 49.20 ? 613 CLA B CAA 1 ? ? +56563 HETATM C CBA . CLA GD 33 . ? 0.880 -37.255 -13.018 1.00 49.88 ? 613 CLA B CBA 1 ? ? +56564 HETATM C CGA . CLA GD 33 . ? 2.348 -37.607 -13.154 1.00 50.46 ? 613 CLA B CGA 1 ? ? +56565 HETATM O O1A . CLA GD 33 . ? 3.141 -37.526 -12.237 1.00 50.79 ? 613 CLA B O1A 1 ? ? +56566 HETATM O O2A . CLA GD 33 . ? 2.893 -38.101 -14.382 1.00 51.28 ? 613 CLA B O2A 1 ? ? +56567 HETATM N NB . CLA GD 33 . ? -3.245 -33.892 -17.860 1.00 48.08 ? 613 CLA B NB 1 ? ? +56568 HETATM C C1B . CLA GD 33 . ? -3.310 -35.224 -17.755 1.00 48.48 ? 613 CLA B C1B 1 ? ? +56569 HETATM C C2B . CLA GD 33 . ? -4.313 -35.912 -18.604 1.00 48.78 ? 613 CLA B C2B 1 ? ? +56570 HETATM C C3B . CLA GD 33 . ? -4.980 -34.767 -19.229 1.00 48.69 ? 613 CLA B C3B 1 ? ? +56571 HETATM C C4B . CLA GD 33 . ? -4.277 -33.608 -18.647 1.00 48.27 ? 613 CLA B C4B 1 ? ? +56572 HETATM C CMB . CLA GD 33 . ? -4.552 -37.394 -18.720 1.00 49.10 ? 613 CLA B CMB 1 ? ? +56573 HETATM C CAB . CLA GD 33 . ? -6.164 -34.716 -20.148 1.00 48.78 ? 613 CLA B CAB 1 ? ? +56574 HETATM C CBB . CLA GD 33 . ? -6.935 -35.766 -20.365 1.00 49.01 ? 613 CLA B CBB 1 ? ? +56575 HETATM N NC . CLA GD 33 . ? -2.794 -31.129 -17.838 1.00 47.62 ? 613 CLA B NC 1 ? ? +56576 HETATM C C1C . CLA GD 33 . ? -3.868 -31.093 -18.665 1.00 47.69 ? 613 CLA B C1C 1 ? ? +56577 HETATM C C2C . CLA GD 33 . ? -4.207 -29.817 -19.327 1.00 47.48 ? 613 CLA B C2C 1 ? ? +56578 HETATM C C3C . CLA GD 33 . ? -3.263 -28.914 -18.766 1.00 46.99 ? 613 CLA B C3C 1 ? ? +56579 HETATM C C4C . CLA GD 33 . ? -2.515 -29.787 -17.848 1.00 47.23 ? 613 CLA B C4C 1 ? ? +56580 HETATM C CMC . CLA GD 33 . ? -5.308 -29.496 -20.303 1.00 47.82 ? 613 CLA B CMC 1 ? ? +56581 HETATM C CAC . CLA GD 33 . ? -3.125 -27.452 -19.026 1.00 46.73 ? 613 CLA B CAC 1 ? ? +56582 HETATM C CBC . CLA GD 33 . ? -2.101 -27.213 -20.095 1.00 46.36 ? 613 CLA B CBC 1 ? ? +56583 HETATM N ND . CLA GD 33 . ? -0.641 -31.356 -16.174 1.00 47.39 ? 613 CLA B ND 1 ? ? +56584 HETATM C C1D . CLA GD 33 . ? -0.423 -29.967 -16.474 1.00 46.99 ? 613 CLA B C1D 1 ? ? +56585 HETATM C C2D . CLA GD 33 . ? 0.703 -29.468 -15.646 1.00 46.74 ? 613 CLA B C2D 1 ? ? +56586 HETATM C C3D . CLA GD 33 . ? 1.212 -30.732 -15.066 1.00 47.00 ? 613 CLA B C3D 1 ? ? +56587 HETATM C C4D . CLA GD 33 . ? 0.506 -31.768 -15.566 1.00 47.24 ? 613 CLA B C4D 1 ? ? +56588 HETATM C CMD . CLA GD 33 . ? 1.289 -28.108 -15.415 1.00 46.43 ? 613 CLA B CMD 1 ? ? +56589 HETATM C CAD . CLA GD 33 . ? 2.354 -31.270 -14.282 1.00 47.13 ? 613 CLA B CAD 1 ? ? +56590 HETATM O OBD . CLA GD 33 . ? 3.291 -30.591 -13.701 1.00 46.78 ? 613 CLA B OBD 1 ? ? +56591 HETATM C CBD . CLA GD 33 . ? 2.116 -32.752 -14.133 1.00 47.40 ? 613 CLA B CBD 1 ? ? +56592 HETATM C CGD . CLA GD 33 . ? 3.343 -33.559 -14.375 1.00 47.03 ? 613 CLA B CGD 1 ? ? +56593 HETATM O O1D . CLA GD 33 . ? 3.592 -34.005 -15.462 1.00 46.76 ? 613 CLA B O1D 1 ? ? +56594 HETATM O O2D . CLA GD 33 . ? 4.194 -33.819 -13.246 1.00 46.98 ? 613 CLA B O2D 1 ? ? +56595 HETATM C CED . CLA GD 33 . ? 5.505 -34.304 -13.507 1.00 47.06 ? 613 CLA B CED 1 ? ? +56596 HETATM C C1 . CLA GD 33 . ? 4.295 -38.221 -14.497 1.00 52.50 ? 613 CLA B C1 1 ? ? +56597 HETATM C C2 . CLA GD 33 . ? 4.658 -37.590 -15.814 1.00 53.23 ? 613 CLA B C2 1 ? ? +56598 HETATM C C3 . CLA GD 33 . ? 4.512 -38.277 -16.950 1.00 54.79 ? 613 CLA B C3 1 ? ? +56599 HETATM C C4 . CLA GD 33 . ? 4.041 -39.686 -16.894 1.00 54.83 ? 613 CLA B C4 1 ? ? +56600 HETATM C C5 . CLA GD 33 . ? 4.869 -37.626 -18.259 1.00 56.16 ? 613 CLA B C5 1 ? ? +56601 HETATM C C6 . CLA GD 33 . ? 3.702 -37.484 -19.220 1.00 57.78 ? 613 CLA B C6 1 ? ? +56602 HETATM C C7 . CLA GD 33 . ? 4.329 -37.004 -20.510 1.00 59.84 ? 613 CLA B C7 1 ? ? +56603 HETATM C C8 . CLA GD 33 . ? 3.453 -36.721 -21.715 1.00 62.29 ? 613 CLA B C8 1 ? ? +56604 HETATM C C9 . CLA GD 33 . ? 2.009 -37.197 -21.808 1.00 62.89 ? 613 CLA B C9 1 ? ? +56605 HETATM C C10 . CLA GD 33 . ? 4.010 -35.853 -22.818 1.00 65.92 ? 613 CLA B C10 1 ? ? +56606 HETATM C C11 . CLA GD 33 . ? 5.373 -35.215 -22.521 1.00 69.91 ? 613 CLA B C11 1 ? ? +56607 HETATM C C12 . CLA GD 33 . ? 5.771 -34.309 -23.686 1.00 75.44 ? 613 CLA B C12 1 ? ? +56608 HETATM C C13 . CLA GD 33 . ? 7.276 -34.010 -23.835 1.00 82.27 ? 613 CLA B C13 1 ? ? +56609 HETATM C C14 . CLA GD 33 . ? 8.168 -35.225 -23.551 1.00 84.49 ? 613 CLA B C14 1 ? ? +56610 HETATM C C15 . CLA GD 33 . ? 7.759 -32.843 -22.958 1.00 86.88 ? 613 CLA B C15 1 ? ? +56611 HETATM C C16 . CLA GD 33 . ? 6.932 -31.553 -23.060 1.00 90.25 ? 613 CLA B C16 1 ? ? +56612 HETATM C C17 . CLA GD 33 . ? 7.300 -30.717 -24.286 1.00 92.86 ? 613 CLA B C17 1 ? ? +56613 HETATM C C18 . CLA GD 33 . ? 8.041 -29.403 -23.981 1.00 95.21 ? 613 CLA B C18 1 ? ? +56614 HETATM C C19 . CLA GD 33 . ? 8.079 -28.784 -22.569 1.00 92.94 ? 613 CLA B C19 1 ? ? +56615 HETATM C C20 . CLA GD 33 . ? 8.996 -28.869 -25.061 1.00 97.74 ? 613 CLA B C20 1 ? ? +56616 HETATM MG MG . CLA GE 33 . ? 55.790 -62.792 -45.014 1.00 68.96 ? 508 CLA C MG 1 ? ? +56617 HETATM C CHA . CLA GE 33 . ? 55.850 -64.663 -47.999 1.00 65.90 ? 508 CLA C CHA 1 ? ? +56618 HETATM C CHB . CLA GE 33 . ? 54.588 -60.174 -46.651 1.00 64.53 ? 508 CLA C CHB 1 ? ? +56619 HETATM C CHC . CLA GE 33 . ? 57.325 -60.643 -42.670 1.00 66.08 ? 508 CLA C CHC 1 ? ? +56620 HETATM C CHD . CLA GE 33 . ? 57.862 -65.390 -43.518 1.00 67.37 ? 508 CLA C CHD 1 ? ? +56621 HETATM N NA . CLA GE 33 . ? 55.342 -62.452 -46.950 1.00 66.23 ? 508 CLA C NA 1 ? ? +56622 HETATM C C1A . CLA GE 33 . ? 55.303 -63.282 -47.972 1.00 65.86 ? 508 CLA C C1A 1 ? ? +56623 HETATM C C2A . CLA GE 33 . ? 54.581 -62.739 -49.192 1.00 65.36 ? 508 CLA C C2A 1 ? ? +56624 HETATM C C3A . CLA GE 33 . ? 54.138 -61.369 -48.718 1.00 64.58 ? 508 CLA C C3A 1 ? ? +56625 HETATM C C4A . CLA GE 33 . ? 54.736 -61.304 -47.340 1.00 65.05 ? 508 CLA C C4A 1 ? ? +56626 HETATM C CMA . CLA GE 33 . ? 54.598 -60.233 -49.624 1.00 64.44 ? 508 CLA C CMA 1 ? ? +56627 HETATM C CAA . CLA GE 33 . ? 53.404 -63.613 -49.664 1.00 65.18 ? 508 CLA C CAA 1 ? ? +56628 HETATM C CBA . CLA GE 33 . ? 52.642 -63.035 -50.862 1.00 64.91 ? 508 CLA C CBA 1 ? ? +56629 HETATM C CGA . CLA GE 33 . ? 53.540 -62.723 -52.040 1.00 65.65 ? 508 CLA C CGA 1 ? ? +56630 HETATM O O1A . CLA GE 33 . ? 54.471 -63.452 -52.346 1.00 66.33 ? 508 CLA C O1A 1 ? ? +56631 HETATM O O2A . CLA GE 33 . ? 53.309 -61.530 -52.837 1.00 65.77 ? 508 CLA C O2A 1 ? ? +56632 HETATM N NB . CLA GE 33 . ? 55.979 -60.778 -44.726 1.00 66.09 ? 508 CLA C NB 1 ? ? +56633 HETATM C C1B . CLA GE 33 . ? 55.305 -59.840 -45.425 1.00 65.00 ? 508 CLA C C1B 1 ? ? +56634 HETATM C C2B . CLA GE 33 . ? 55.494 -58.422 -45.019 1.00 64.51 ? 508 CLA C C2B 1 ? ? +56635 HETATM C C3B . CLA GE 33 . ? 56.334 -58.601 -43.827 1.00 64.96 ? 508 CLA C C3B 1 ? ? +56636 HETATM C C4B . CLA GE 33 . ? 56.524 -60.058 -43.728 1.00 65.63 ? 508 CLA C C4B 1 ? ? +56637 HETATM C CMB . CLA GE 33 . ? 54.913 -57.186 -45.661 1.00 63.71 ? 508 CLA C CMB 1 ? ? +56638 HETATM C CAB . CLA GE 33 . ? 56.941 -57.610 -42.901 1.00 64.96 ? 508 CLA C CAB 1 ? ? +56639 HETATM C CBB . CLA GE 33 . ? 56.967 -56.319 -43.155 1.00 64.58 ? 508 CLA C CBB 1 ? ? +56640 HETATM N NC . CLA GE 33 . ? 57.273 -62.971 -43.533 1.00 67.03 ? 508 CLA C NC 1 ? ? +56641 HETATM C C1C . CLA GE 33 . ? 57.683 -62.046 -42.627 1.00 66.65 ? 508 CLA C C1C 1 ? ? +56642 HETATM C C2C . CLA GE 33 . ? 58.652 -62.432 -41.583 1.00 67.26 ? 508 CLA C C2C 1 ? ? +56643 HETATM C C3C . CLA GE 33 . ? 58.804 -63.852 -41.821 1.00 67.68 ? 508 CLA C C3C 1 ? ? +56644 HETATM C C4C . CLA GE 33 . ? 57.871 -64.061 -42.957 1.00 67.12 ? 508 CLA C C4C 1 ? ? +56645 HETATM C CMC . CLA GE 33 . ? 59.308 -61.582 -40.528 1.00 67.46 ? 508 CLA C CMC 1 ? ? +56646 HETATM C CAC . CLA GE 33 . ? 59.687 -64.833 -41.068 1.00 68.34 ? 508 CLA C CAC 1 ? ? +56647 HETATM C CBC . CLA GE 33 . ? 61.044 -64.919 -41.728 1.00 69.05 ? 508 CLA C CBC 1 ? ? +56648 HETATM N ND . CLA GE 33 . ? 56.630 -64.592 -45.579 1.00 67.09 ? 508 CLA C ND 1 ? ? +56649 HETATM C C1D . CLA GE 33 . ? 57.474 -65.558 -44.892 1.00 67.25 ? 508 CLA C C1D 1 ? ? +56650 HETATM C C2D . CLA GE 33 . ? 57.608 -66.814 -45.710 1.00 67.60 ? 508 CLA C C2D 1 ? ? +56651 HETATM C C3D . CLA GE 33 . ? 56.934 -66.390 -46.954 1.00 67.07 ? 508 CLA C C3D 1 ? ? +56652 HETATM C C4D . CLA GE 33 . ? 56.571 -65.115 -46.842 1.00 66.65 ? 508 CLA C C4D 1 ? ? +56653 HETATM C CMD . CLA GE 33 . ? 58.227 -68.184 -45.567 1.00 68.27 ? 508 CLA C CMD 1 ? ? +56654 HETATM C CAD . CLA GE 33 . ? 56.618 -66.832 -48.333 1.00 66.80 ? 508 CLA C CAD 1 ? ? +56655 HETATM O OBD . CLA GE 33 . ? 56.873 -67.977 -48.831 1.00 67.28 ? 508 CLA C OBD 1 ? ? +56656 HETATM C CBD . CLA GE 33 . ? 55.862 -65.751 -49.032 1.00 65.82 ? 508 CLA C CBD 1 ? ? +56657 HETATM C CGD . CLA GE 33 . ? 56.454 -65.412 -50.353 1.00 65.59 ? 508 CLA C CGD 1 ? ? +56658 HETATM O O1D . CLA GE 33 . ? 56.274 -66.129 -51.318 1.00 65.38 ? 508 CLA C O1D 1 ? ? +56659 HETATM O O2D . CLA GE 33 . ? 57.250 -64.229 -50.512 1.00 65.40 ? 508 CLA C O2D 1 ? ? +56660 HETATM C CED . CLA GE 33 . ? 58.196 -64.226 -51.559 1.00 65.96 ? 508 CLA C CED 1 ? ? +56661 HETATM C C1 . CLA GE 33 . ? 54.087 -61.322 -54.017 1.00 66.48 ? 508 CLA C C1 1 ? ? +56662 HETATM C C2 . CLA GE 33 . ? 55.455 -60.853 -53.610 1.00 67.37 ? 508 CLA C C2 1 ? ? +56663 HETATM C C3 . CLA GE 33 . ? 55.969 -59.670 -53.986 1.00 68.13 ? 508 CLA C C3 1 ? ? +56664 HETATM C C4 . CLA GE 33 . ? 55.189 -58.721 -54.857 1.00 67.87 ? 508 CLA C C4 1 ? ? +56665 HETATM C C5 . CLA GE 33 . ? 57.345 -59.329 -53.488 1.00 69.13 ? 508 CLA C C5 1 ? ? +56666 HETATM C C6 . CLA GE 33 . ? 57.790 -57.967 -53.989 1.00 69.49 ? 508 CLA C C6 1 ? ? +56667 HETATM C C7 . CLA GE 33 . ? 59.242 -57.768 -53.608 1.00 70.68 ? 508 CLA C C7 1 ? ? +56668 HETATM C C8 . CLA GE 33 . ? 59.636 -56.334 -53.314 1.00 70.93 ? 508 CLA C C8 1 ? ? +56669 HETATM C C9 . CLA GE 33 . ? 58.915 -55.146 -53.926 1.00 70.25 ? 508 CLA C C9 1 ? ? +56670 HETATM C C10 . CLA GE 33 . ? 60.704 -56.155 -52.251 1.00 72.26 ? 508 CLA C C10 1 ? ? +56671 HETATM C C11 . CLA GE 33 . ? 60.841 -54.842 -51.514 1.00 72.75 ? 508 CLA C C11 1 ? ? +56672 HETATM C C12 . CLA GE 33 . ? 62.261 -54.808 -50.973 1.00 74.52 ? 508 CLA C C12 1 ? ? +56673 HETATM C C13 . CLA GE 33 . ? 62.363 -53.945 -49.728 1.00 75.58 ? 508 CLA C C13 1 ? ? +56674 HETATM C C14 . CLA GE 33 . ? 62.482 -52.489 -50.137 1.00 75.81 ? 508 CLA C C14 1 ? ? +56675 HETATM C C15 . CLA GE 33 . ? 63.583 -54.350 -48.907 1.00 77.37 ? 508 CLA C C15 1 ? ? +56676 HETATM C C16 . CLA GE 33 . ? 63.459 -53.895 -47.455 1.00 77.78 ? 508 CLA C C16 1 ? ? +56677 HETATM C C17 . CLA GE 33 . ? 64.866 -53.656 -46.928 1.00 79.32 ? 508 CLA C C17 1 ? ? +56678 HETATM C C18 . CLA GE 33 . ? 64.997 -53.408 -45.425 1.00 80.10 ? 508 CLA C C18 1 ? ? +56679 HETATM C C19 . CLA GE 33 . ? 66.081 -52.463 -44.902 1.00 81.19 ? 508 CLA C C19 1 ? ? +56680 HETATM C C20 . CLA GE 33 . ? 63.975 -53.975 -44.454 1.00 79.41 ? 508 CLA C C20 1 ? ? +56681 HETATM C C1 . HTG GF 35 . ? -18.053 -69.688 -15.255 1.00 109.04 ? 410 HTG D C1 1 ? ? +56682 HETATM S S1 . HTG GF 35 . ? -18.162 -68.423 -16.549 1.00 110.58 ? 410 HTG D S1 1 ? ? +56683 HETATM C C2 . HTG GF 35 . ? -19.462 -70.126 -14.867 1.00 108.49 ? 410 HTG D C2 1 ? ? +56684 HETATM O O2 . HTG GF 35 . ? -20.183 -69.027 -14.324 1.00 108.31 ? 410 HTG D O2 1 ? ? +56685 HETATM C C3 . HTG GF 35 . ? -19.382 -71.229 -13.817 1.00 108.94 ? 410 HTG D C3 1 ? ? +56686 HETATM O O3 . HTG GF 35 . ? -20.679 -71.673 -13.433 1.00 109.45 ? 410 HTG D O3 1 ? ? +56687 HETATM C C4 . HTG GF 35 . ? -18.564 -72.383 -14.338 1.00 110.22 ? 410 HTG D C4 1 ? ? +56688 HETATM O O4 . HTG GF 35 . ? -18.509 -73.415 -13.347 1.00 110.13 ? 410 HTG D O4 1 ? ? +56689 HETATM C C5 . HTG GF 35 . ? -17.167 -71.840 -14.698 1.00 110.30 ? 410 HTG D C5 1 ? ? +56690 HETATM O O5 . HTG GF 35 . ? -17.303 -70.811 -15.700 1.00 110.95 ? 410 HTG D O5 1 ? ? +56691 HETATM C C6 . HTG GF 35 . ? -16.218 -72.888 -15.263 1.00 108.54 ? 410 HTG D C6 1 ? ? +56692 HETATM O O6 . HTG GF 35 . ? -14.944 -72.865 -14.614 1.00 106.60 ? 410 HTG D O6 1 ? ? +56693 HETATM C C1' . HTG GF 35 . ? -16.418 -67.939 -16.787 1.00 103.24 ? 410 HTG D C1' 1 ? ? +56694 HETATM C C2' . HTG GF 35 . ? -16.319 -66.676 -17.620 1.00 101.88 ? 410 HTG D C2' 1 ? ? +56695 HETATM C C3' . HTG GF 35 . ? -15.850 -66.937 -19.040 1.00 102.00 ? 410 HTG D C3' 1 ? ? +56696 HETATM C C4' . HTG GF 35 . ? -16.179 -65.827 -20.012 1.00 100.04 ? 410 HTG D C4' 1 ? ? +56697 HETATM MG MG . CLA GG 33 . ? 29.592 -3.652 -24.523 1.00 52.46 ? 607 CLA b MG 1 ? ? +56698 HETATM C CHA . CLA GG 33 . ? 27.120 -2.865 -26.869 1.00 48.51 ? 607 CLA b CHA 1 ? ? +56699 HETATM C CHB . CLA GG 33 . ? 29.858 -0.336 -23.849 1.00 50.44 ? 607 CLA b CHB 1 ? ? +56700 HETATM C CHC . CLA GG 33 . ? 30.716 -4.355 -21.275 1.00 50.01 ? 607 CLA b CHC 1 ? ? +56701 HETATM C CHD . CLA GG 33 . ? 28.285 -6.993 -24.508 1.00 48.50 ? 607 CLA b CHD 1 ? ? +56702 HETATM N NA . CLA GG 33 . ? 28.665 -1.956 -25.172 1.00 50.19 ? 607 CLA b NA 1 ? ? +56703 HETATM C C1A . CLA GG 33 . ? 27.796 -1.798 -26.133 1.00 49.39 ? 607 CLA b C1A 1 ? ? +56704 HETATM C C2A . CLA GG 33 . ? 27.534 -0.373 -26.567 1.00 49.72 ? 607 CLA b C2A 1 ? ? +56705 HETATM C C3A . CLA GG 33 . ? 28.577 0.373 -25.768 1.00 49.82 ? 607 CLA b C3A 1 ? ? +56706 HETATM C C4A . CLA GG 33 . ? 29.067 -0.701 -24.851 1.00 50.02 ? 607 CLA b C4A 1 ? ? +56707 HETATM C CMA . CLA GG 33 . ? 29.667 0.952 -26.659 1.00 50.12 ? 607 CLA b CMA 1 ? ? +56708 HETATM C CAA . CLA GG 33 . ? 26.091 0.092 -26.307 1.00 49.72 ? 607 CLA b CAA 1 ? ? +56709 HETATM C CBA . CLA GG 33 . ? 25.805 -0.077 -24.826 1.00 50.16 ? 607 CLA b CBA 1 ? ? +56710 HETATM C CGA . CLA GG 33 . ? 24.380 0.002 -24.369 1.00 50.86 ? 607 CLA b CGA 1 ? ? +56711 HETATM O O1A . CLA GG 33 . ? 23.379 0.065 -25.067 1.00 50.19 ? 607 CLA b O1A 1 ? ? +56712 HETATM O O2A . CLA GG 33 . ? 24.278 -0.019 -22.940 1.00 52.71 ? 607 CLA b O2A 1 ? ? +56713 HETATM N NB . CLA GG 33 . ? 30.126 -2.568 -22.859 1.00 50.42 ? 607 CLA b NB 1 ? ? +56714 HETATM C C1B . CLA GG 33 . ? 30.315 -1.231 -22.783 1.00 50.41 ? 607 CLA b C1B 1 ? ? +56715 HETATM C C2B . CLA GG 33 . ? 30.813 -0.676 -21.505 1.00 50.49 ? 607 CLA b C2B 1 ? ? +56716 HETATM C C3B . CLA GG 33 . ? 31.007 -1.894 -20.757 1.00 50.67 ? 607 CLA b C3B 1 ? ? +56717 HETATM C C4B . CLA GG 33 . ? 30.630 -2.965 -21.686 1.00 50.27 ? 607 CLA b C4B 1 ? ? +56718 HETATM C CMB . CLA GG 33 . ? 31.036 0.749 -21.110 1.00 50.82 ? 607 CLA b CMB 1 ? ? +56719 HETATM C CAB . CLA GG 33 . ? 31.592 -2.111 -19.415 1.00 51.49 ? 607 CLA b CAB 1 ? ? +56720 HETATM C CBB . CLA GG 33 . ? 32.285 -1.196 -18.756 1.00 52.03 ? 607 CLA b CBB 1 ? ? +56721 HETATM N NC . CLA GG 33 . ? 29.482 -5.257 -23.192 1.00 49.71 ? 607 CLA b NC 1 ? ? +56722 HETATM C C1C . CLA GG 33 . ? 30.084 -5.432 -21.988 1.00 49.55 ? 607 CLA b C1C 1 ? ? +56723 HETATM C C2C . CLA GG 33 . ? 29.961 -6.731 -21.281 1.00 49.07 ? 607 CLA b C2C 1 ? ? +56724 HETATM C C3C . CLA GG 33 . ? 29.238 -7.515 -22.259 1.00 48.92 ? 607 CLA b C3C 1 ? ? +56725 HETATM C C4C . CLA GG 33 . ? 29.040 -6.547 -23.355 1.00 49.01 ? 607 CLA b C4C 1 ? ? +56726 HETATM C CMC . CLA GG 33 . ? 30.451 -7.152 -19.918 1.00 49.15 ? 607 CLA b CMC 1 ? ? +56727 HETATM C CAC . CLA GG 33 . ? 28.773 -8.940 -22.158 1.00 48.90 ? 607 CLA b CAC 1 ? ? +56728 HETATM C CBC . CLA GG 33 . ? 27.363 -8.982 -21.593 1.00 48.54 ? 607 CLA b CBC 1 ? ? +56729 HETATM N ND . CLA GG 33 . ? 27.917 -4.584 -25.216 1.00 49.02 ? 607 CLA b ND 1 ? ? +56730 HETATM C C1D . CLA GG 33 . ? 27.786 -6.024 -25.439 1.00 48.47 ? 607 CLA b C1D 1 ? ? +56731 HETATM C C2D . CLA GG 33 . ? 26.847 -6.371 -26.530 1.00 48.26 ? 607 CLA b C2D 1 ? ? +56732 HETATM C C3D . CLA GG 33 . ? 26.646 -5.041 -27.107 1.00 48.17 ? 607 CLA b C3D 1 ? ? +56733 HETATM C C4D . CLA GG 33 . ? 27.368 -4.174 -26.394 1.00 48.32 ? 607 CLA b C4D 1 ? ? +56734 HETATM C CMD . CLA GG 33 . ? 26.238 -7.638 -27.090 1.00 48.13 ? 607 CLA b CMD 1 ? ? +56735 HETATM C CAD . CLA GG 33 . ? 25.873 -4.334 -28.180 1.00 47.99 ? 607 CLA b CAD 1 ? ? +56736 HETATM O OBD . CLA GG 33 . ? 25.121 -4.858 -29.092 1.00 47.30 ? 607 CLA b OBD 1 ? ? +56737 HETATM C CBD . CLA GG 33 . ? 26.199 -2.876 -28.070 1.00 48.22 ? 607 CLA b CBD 1 ? ? +56738 HETATM C CGD . CLA GG 33 . ? 26.792 -2.440 -29.377 1.00 48.13 ? 607 CLA b CGD 1 ? ? +56739 HETATM O O1D . CLA GG 33 . ? 26.611 -1.347 -29.894 1.00 47.95 ? 607 CLA b O1D 1 ? ? +56740 HETATM O O2D . CLA GG 33 . ? 27.596 -3.394 -30.094 1.00 47.97 ? 607 CLA b O2D 1 ? ? +56741 HETATM C CED . CLA GG 33 . ? 28.070 -3.000 -31.368 1.00 48.27 ? 607 CLA b CED 1 ? ? +56742 HETATM C C1 . CLA GG 33 . ? 23.030 -0.223 -22.314 1.00 54.32 ? 607 CLA b C1 1 ? ? +56743 HETATM C C2 . CLA GG 33 . ? 23.284 -0.149 -20.835 1.00 55.85 ? 607 CLA b C2 1 ? ? +56744 HETATM C C3 . CLA GG 33 . ? 22.294 -0.214 -19.942 1.00 58.18 ? 607 CLA b C3 1 ? ? +56745 HETATM C C4 . CLA GG 33 . ? 20.867 -0.352 -20.381 1.00 58.01 ? 607 CLA b C4 1 ? ? +56746 HETATM C C5 . CLA GG 33 . ? 22.645 -0.079 -18.476 1.00 60.63 ? 607 CLA b C5 1 ? ? +56747 HETATM C C6 . CLA GG 33 . ? 22.237 -1.270 -17.628 1.00 62.22 ? 607 CLA b C6 1 ? ? +56748 HETATM C C7 . CLA GG 33 . ? 21.773 -0.702 -16.289 1.00 63.54 ? 607 CLA b C7 1 ? ? +56749 HETATM C C8 . CLA GG 33 . ? 21.189 -1.701 -15.301 1.00 64.76 ? 607 CLA b C8 1 ? ? +56750 HETATM C C9 . CLA GG 33 . ? 20.328 -2.871 -15.751 1.00 65.86 ? 607 CLA b C9 1 ? ? +56751 HETATM C C10 . CLA GG 33 . ? 21.676 -1.607 -13.884 1.00 67.20 ? 607 CLA b C10 1 ? ? +56752 HETATM C C11 . CLA GG 33 . ? 21.385 -2.820 -13.012 1.00 69.32 ? 607 CLA b C11 1 ? ? +56753 HETATM C C12 . CLA GG 33 . ? 20.975 -2.329 -11.621 1.00 70.14 ? 607 CLA b C12 1 ? ? +56754 HETATM C C13 . CLA GG 33 . ? 21.021 -3.417 -10.553 1.00 69.13 ? 607 CLA b C13 1 ? ? +56755 HETATM C C14 . CLA GG 33 . ? 20.143 -4.593 -10.994 1.00 69.87 ? 607 CLA b C14 1 ? ? +56756 HETATM C C15 . CLA GG 33 . ? 20.583 -2.790 -9.230 1.00 67.00 ? 607 CLA b C15 1 ? ? +56757 HETATM C C16 . CLA GG 33 . ? 21.134 -3.519 -8.013 1.00 65.56 ? 607 CLA b C16 1 ? ? +56758 HETATM C C17 . CLA GG 33 . ? 20.263 -3.208 -6.809 1.00 64.58 ? 607 CLA b C17 1 ? ? +56759 HETATM C C18 . CLA GG 33 . ? 20.828 -3.600 -5.464 1.00 64.68 ? 607 CLA b C18 1 ? ? +56760 HETATM C C19 . CLA GG 33 . ? 19.915 -3.646 -4.263 1.00 64.74 ? 607 CLA b C19 1 ? ? +56761 HETATM C C20 . CLA GG 33 . ? 22.283 -3.941 -5.307 1.00 66.71 ? 607 CLA b C20 1 ? ? +56762 HETATM MG MG . CLA GH 33 . ? -18.704 35.240 24.014 1.00 70.23 ? 504 CLA c MG 1 ? ? +56763 HETATM C CHA . CLA GH 33 . ? -17.976 34.959 20.624 1.00 68.25 ? 504 CLA c CHA 1 ? ? +56764 HETATM C CHB . CLA GH 33 . ? -21.644 36.664 23.194 1.00 71.56 ? 504 CLA c CHB 1 ? ? +56765 HETATM C CHC . CLA GH 33 . ? -20.270 33.984 26.969 1.00 71.89 ? 504 CLA c CHC 1 ? ? +56766 HETATM C CHD . CLA GH 33 . ? -16.192 32.674 24.581 1.00 68.85 ? 504 CLA c CHD 1 ? ? +56767 HETATM N NA . CLA GH 33 . ? -19.677 35.627 22.263 1.00 69.92 ? 504 CLA c NA 1 ? ? +56768 HETATM C C1A . CLA GH 33 . ? -19.249 35.556 21.026 1.00 69.07 ? 504 CLA c C1A 1 ? ? +56769 HETATM C C2A . CLA GH 33 . ? -20.013 36.396 20.018 1.00 69.21 ? 504 CLA c C2A 1 ? ? +56770 HETATM C C3A . CLA GH 33 . ? -21.216 36.827 20.828 1.00 70.26 ? 504 CLA c C3A 1 ? ? +56771 HETATM C C4A . CLA GH 33 . ? -20.832 36.333 22.200 1.00 70.58 ? 504 CLA c C4A 1 ? ? +56772 HETATM C CMA . CLA GH 33 . ? -21.424 38.345 20.765 1.00 70.91 ? 504 CLA c CMA 1 ? ? +56773 HETATM C CAA . CLA GH 33 . ? -20.358 35.769 18.654 1.00 68.34 ? 504 CLA c CAA 1 ? ? +56774 HETATM C CBA . CLA GH 33 . ? -21.080 34.425 18.758 1.00 67.93 ? 504 CLA c CBA 1 ? ? +56775 HETATM C CGA . CLA GH 33 . ? -20.672 33.438 17.684 1.00 66.79 ? 504 CLA c CGA 1 ? ? +56776 HETATM O O1A . CLA GH 33 . ? -20.057 33.767 16.685 1.00 66.16 ? 504 CLA c O1A 1 ? ? +56777 HETATM O O2A . CLA GH 33 . ? -21.047 32.047 17.845 1.00 66.23 ? 504 CLA c O2A 1 ? ? +56778 HETATM N NB . CLA GH 33 . ? -20.592 35.282 24.906 1.00 71.48 ? 504 CLA c NB 1 ? ? +56779 HETATM C C1B . CLA GH 33 . ? -21.649 36.016 24.488 1.00 71.99 ? 504 CLA c C1B 1 ? ? +56780 HETATM C C2B . CLA GH 33 . ? -22.923 35.995 25.271 1.00 72.96 ? 504 CLA c C2B 1 ? ? +56781 HETATM C C3B . CLA GH 33 . ? -22.528 35.186 26.393 1.00 73.11 ? 504 CLA c C3B 1 ? ? +56782 HETATM C C4B . CLA GH 33 . ? -21.081 34.843 26.110 1.00 72.17 ? 504 CLA c C4B 1 ? ? +56783 HETATM C CMB . CLA GH 33 . ? -24.262 36.659 25.053 1.00 73.70 ? 504 CLA c CMB 1 ? ? +56784 HETATM C CAB . CLA GH 33 . ? -23.513 34.948 27.497 1.00 74.20 ? 504 CLA c CAB 1 ? ? +56785 HETATM C CBB . CLA GH 33 . ? -23.229 34.377 28.646 1.00 74.69 ? 504 CLA c CBB 1 ? ? +56786 HETATM N NC . CLA GH 33 . ? -18.337 33.701 25.396 1.00 70.28 ? 504 CLA c NC 1 ? ? +56787 HETATM C C1C . CLA GH 33 . ? -18.994 33.386 26.555 1.00 71.04 ? 504 CLA c C1C 1 ? ? +56788 HETATM C C2C . CLA GH 33 . ? -18.437 32.267 27.379 1.00 70.86 ? 504 CLA c C2C 1 ? ? +56789 HETATM C C3C . CLA GH 33 . ? -17.226 31.899 26.670 1.00 70.04 ? 504 CLA c C3C 1 ? ? +56790 HETATM C C4C . CLA GH 33 . ? -17.253 32.856 25.550 1.00 69.74 ? 504 CLA c C4C 1 ? ? +56791 HETATM C CMC . CLA GH 33 . ? -18.943 31.658 28.650 1.00 71.50 ? 504 CLA c CMC 1 ? ? +56792 HETATM C CAC . CLA GH 33 . ? -16.184 30.845 27.001 1.00 69.64 ? 504 CLA c CAC 1 ? ? +56793 HETATM C CBC . CLA GH 33 . ? -16.546 29.531 26.348 1.00 69.15 ? 504 CLA c CBC 1 ? ? +56794 HETATM N ND . CLA GH 33 . ? -17.657 33.872 22.913 1.00 68.92 ? 504 CLA c ND 1 ? ? +56795 HETATM C C1D . CLA GH 33 . ? -16.368 33.245 23.285 1.00 68.42 ? 504 CLA c C1D 1 ? ? +56796 HETATM C C2D . CLA GH 33 . ? -15.387 33.109 22.185 1.00 67.55 ? 504 CLA c C2D 1 ? ? +56797 HETATM C C3D . CLA GH 33 . ? -16.088 33.841 21.161 1.00 67.59 ? 504 CLA c C3D 1 ? ? +56798 HETATM C C4D . CLA GH 33 . ? -17.248 34.290 21.656 1.00 68.32 ? 504 CLA c C4D 1 ? ? +56799 HETATM C CMD . CLA GH 33 . ? -14.047 32.501 21.943 1.00 66.97 ? 504 CLA c CMD 1 ? ? +56800 HETATM C CAD . CLA GH 33 . ? -15.921 34.269 19.767 1.00 67.13 ? 504 CLA c CAD 1 ? ? +56801 HETATM O OBD . CLA GH 33 . ? -14.881 34.023 19.046 1.00 66.59 ? 504 CLA c OBD 1 ? ? +56802 HETATM C CBD . CLA GH 33 . ? -17.150 35.033 19.384 1.00 67.47 ? 504 CLA c CBD 1 ? ? +56803 HETATM C CGD . CLA GH 33 . ? -16.764 36.410 19.053 1.00 67.55 ? 504 CLA c CGD 1 ? ? +56804 HETATM O O1D . CLA GH 33 . ? -16.787 36.787 17.911 1.00 67.30 ? 504 CLA c O1D 1 ? ? +56805 HETATM O O2D . CLA GH 33 . ? -16.329 37.294 20.087 1.00 68.05 ? 504 CLA c O2D 1 ? ? +56806 HETATM C CED . CLA GH 33 . ? -16.070 38.646 19.732 1.00 68.42 ? 504 CLA c CED 1 ? ? +56807 HETATM C C1 . CLA GH 33 . ? -20.819 31.178 16.758 1.00 65.43 ? 504 CLA c C1 1 ? ? +56808 HETATM C C2 . CLA GH 33 . ? -21.400 29.812 17.046 1.00 65.31 ? 504 CLA c C2 1 ? ? +56809 HETATM C C3 . CLA GH 33 . ? -20.688 28.672 17.020 1.00 64.80 ? 504 CLA c C3 1 ? ? +56810 HETATM C C4 . CLA GH 33 . ? -19.220 28.671 16.708 1.00 64.13 ? 504 CLA c C4 1 ? ? +56811 HETATM C C5 . CLA GH 33 . ? -21.383 27.356 17.277 1.00 64.85 ? 504 CLA c C5 1 ? ? +56812 HETATM C C6 . CLA GH 33 . ? -21.579 27.070 18.754 1.00 65.39 ? 504 CLA c C6 1 ? ? +56813 HETATM C C7 . CLA GH 33 . ? -22.196 25.682 18.931 1.00 65.31 ? 504 CLA c C7 1 ? ? +56814 HETATM C C8 . CLA GH 33 . ? -21.256 24.486 18.818 1.00 64.57 ? 504 CLA c C8 1 ? ? +56815 HETATM C C9 . CLA GH 33 . ? -21.849 23.081 18.774 1.00 64.53 ? 504 CLA c C9 1 ? ? +56816 HETATM C C10 . CLA GH 33 . ? -19.756 24.656 18.720 1.00 63.86 ? 504 CLA c C10 1 ? ? +56817 HETATM C C11 . CLA GH 33 . ? -19.375 24.448 20.183 1.00 64.10 ? 504 CLA c C11 1 ? ? +56818 HETATM C C12 . CLA GH 33 . ? -18.124 25.207 20.567 1.00 63.97 ? 504 CLA c C12 1 ? ? +56819 HETATM C C13 . CLA GH 33 . ? -16.906 24.724 19.781 1.00 63.01 ? 504 CLA c C13 1 ? ? +56820 HETATM C C14 . CLA GH 33 . ? -16.640 23.246 20.010 1.00 62.66 ? 504 CLA c C14 1 ? ? +56821 HETATM C C15 . CLA GH 33 . ? -15.683 25.516 20.186 1.00 62.91 ? 504 CLA c C15 1 ? ? +56822 HETATM C C16 . CLA GH 33 . ? -15.786 26.972 19.783 1.00 63.15 ? 504 CLA c C16 1 ? ? +56823 HETATM C C17 . CLA GH 33 . ? -14.430 27.657 19.927 1.00 63.02 ? 504 CLA c C17 1 ? ? +56824 HETATM C C18 . CLA GH 33 . ? -14.136 28.293 21.269 1.00 63.60 ? 504 CLA c C18 1 ? ? +56825 HETATM C C19 . CLA GH 33 . ? -15.141 28.433 22.396 1.00 64.43 ? 504 CLA c C19 1 ? ? +56826 HETATM C C20 . CLA GH 33 . ? -12.789 28.963 21.523 1.00 63.52 ? 504 CLA c C20 1 ? ? +56827 HETATM MG MG A CLA GI 33 . ? 4.270 6.861 -4.228 0.40 52.44 ? 402 CLA d MG 1 ? ? +56828 HETATM MG MG B CLA GI 33 . ? 4.330 6.792 -4.054 0.60 52.68 ? 402 CLA d MG 1 ? ? +56829 HETATM C CHA A CLA GI 33 . ? 7.500 5.830 -4.843 0.40 50.91 ? 402 CLA d CHA 1 ? ? +56830 HETATM C CHA B CLA GI 33 . ? 7.517 5.771 -4.841 0.60 50.43 ? 402 CLA d CHA 1 ? ? +56831 HETATM C CHB A CLA GI 33 . ? 3.507 3.654 -3.371 0.40 51.60 ? 402 CLA d CHB 1 ? ? +56832 HETATM C CHB B CLA GI 33 . ? 3.513 3.617 -3.312 0.60 51.27 ? 402 CLA d CHB 1 ? ? +56833 HETATM C CHC A CLA GI 33 . ? 1.620 7.941 -2.101 0.40 52.89 ? 402 CLA d CHC 1 ? ? +56834 HETATM C CHC B CLA GI 33 . ? 1.740 7.906 -1.908 0.60 52.18 ? 402 CLA d CHC 1 ? ? +56835 HETATM C CHD A CLA GI 33 . ? 5.545 10.242 -3.912 0.40 52.35 ? 402 CLA d CHD 1 ? ? +56836 HETATM C CHD B CLA GI 33 . ? 5.607 10.178 -3.876 0.60 51.60 ? 402 CLA d CHD 1 ? ? +56837 HETATM N NA A CLA GI 33 . ? 5.293 5.126 -4.035 0.40 51.55 ? 402 CLA d NA 1 ? ? +56838 HETATM N NA B CLA GI 33 . ? 5.337 5.053 -3.946 0.60 51.36 ? 402 CLA d NA 1 ? ? +56839 HETATM C C1A A CLA GI 33 . ? 6.529 4.856 -4.355 0.40 51.07 ? 402 CLA d C1A 1 ? ? +56840 HETATM C C1A B CLA GI 33 . ? 6.560 4.795 -4.317 0.60 50.77 ? 402 CLA d C1A 1 ? ? +56841 HETATM C C2A A CLA GI 33 . ? 6.890 3.398 -4.450 0.40 50.73 ? 402 CLA d C2A 1 ? ? +56842 HETATM C C2A B CLA GI 33 . ? 6.915 3.338 -4.393 0.60 50.51 ? 402 CLA d C2A 1 ? ? +56843 HETATM C C3A A CLA GI 33 . ? 5.537 2.763 -4.275 0.40 50.82 ? 402 CLA d C3A 1 ? ? +56844 HETATM C C3A B CLA GI 33 . ? 5.552 2.698 -4.233 0.60 50.56 ? 402 CLA d C3A 1 ? ? +56845 HETATM C C4A A CLA GI 33 . ? 4.708 3.928 -3.839 0.40 51.30 ? 402 CLA d C4A 1 ? ? +56846 HETATM C C4A B CLA GI 33 . ? 4.726 3.864 -3.779 0.60 51.02 ? 402 CLA d C4A 1 ? ? +56847 HETATM C CMA A CLA GI 33 . ? 5.000 2.178 -5.569 0.40 50.41 ? 402 CLA d CMA 1 ? ? +56848 HETATM C CMA B CLA GI 33 . ? 5.020 2.099 -5.525 0.60 50.13 ? 402 CLA d CMA 1 ? ? +56849 HETATM C CAA A CLA GI 33 . ? 7.866 2.930 -3.388 0.40 50.72 ? 402 CLA d CAA 1 ? ? +56850 HETATM C CAA B CLA GI 33 . ? 7.891 2.915 -3.310 0.60 50.57 ? 402 CLA d CAA 1 ? ? +56851 HETATM C CBA A CLA GI 33 . ? 7.510 3.644 -2.100 0.40 51.04 ? 402 CLA d CBA 1 ? ? +56852 HETATM C CBA B CLA GI 33 . ? 7.429 3.469 -1.971 0.60 50.99 ? 402 CLA d CBA 1 ? ? +56853 HETATM C CGA A CLA GI 33 . ? 8.134 2.995 -0.900 0.40 51.17 ? 402 CLA d CGA 1 ? ? +56854 HETATM C CGA B CLA GI 33 . ? 8.225 2.961 -0.819 0.60 51.23 ? 402 CLA d CGA 1 ? ? +56855 HETATM O O1A A CLA GI 33 . ? 8.870 2.036 -1.027 0.40 50.99 ? 402 CLA d O1A 1 ? ? +56856 HETATM O O1A B CLA GI 33 . ? 9.061 2.102 -0.982 0.60 51.09 ? 402 CLA d O1A 1 ? ? +56857 HETATM O O2A A CLA GI 33 . ? 7.829 3.545 0.410 0.40 51.57 ? 402 CLA d O2A 1 ? ? +56858 HETATM O O2A B CLA GI 33 . ? 7.940 3.535 0.483 0.60 51.82 ? 402 CLA d O2A 1 ? ? +56859 HETATM N NB A CLA GI 33 . ? 2.878 5.990 -2.956 0.40 52.41 ? 402 CLA d NB 1 ? ? +56860 HETATM N NB B CLA GI 33 . ? 2.927 5.947 -2.789 0.60 52.07 ? 402 CLA d NB 1 ? ? +56861 HETATM C C1B A CLA GI 33 . ? 2.616 4.661 -2.813 0.40 52.14 ? 402 CLA d C1B 1 ? ? +56862 HETATM C C1B B CLA GI 33 . ? 2.638 4.623 -2.710 0.60 51.75 ? 402 CLA d C1B 1 ? ? +56863 HETATM C C2B A CLA GI 33 . ? 1.486 4.248 -1.929 0.40 52.35 ? 402 CLA d C2B 1 ? ? +56864 HETATM C C2B B CLA GI 33 . ? 1.491 4.204 -1.851 0.60 51.85 ? 402 CLA d C2B 1 ? ? +56865 HETATM C C3B A CLA GI 33 . ? 0.962 5.537 -1.549 0.40 52.72 ? 402 CLA d C3B 1 ? ? +56866 HETATM C C3B B CLA GI 33 . ? 0.981 5.483 -1.411 0.60 52.24 ? 402 CLA d C3B 1 ? ? +56867 HETATM C C4B A CLA GI 33 . ? 1.824 6.515 -2.265 0.40 52.67 ? 402 CLA d C4B 1 ? ? +56868 HETATM C C4B B CLA GI 33 . ? 1.880 6.474 -2.083 0.60 52.15 ? 402 CLA d C4B 1 ? ? +56869 HETATM C CMB A CLA GI 33 . ? 0.972 2.892 -1.529 0.40 52.35 ? 402 CLA d CMB 1 ? ? +56870 HETATM C CMB B CLA GI 33 . ? 0.963 2.832 -1.525 0.60 51.80 ? 402 CLA d CMB 1 ? ? +56871 HETATM C CAB A CLA GI 33 . ? -0.242 5.731 -0.705 0.40 53.09 ? 402 CLA d CAB 1 ? ? +56872 HETATM C CAB B CLA GI 33 . ? -0.245 5.587 -0.565 0.60 52.61 ? 402 CLA d CAB 1 ? ? +56873 HETATM C CBB A CLA GI 33 . ? -0.822 6.912 -0.633 0.40 53.41 ? 402 CLA d CBB 1 ? ? +56874 HETATM C CBB B CLA GI 33 . ? -0.959 6.687 -0.435 0.60 52.96 ? 402 CLA d CBB 1 ? ? +56875 HETATM N NC A CLA GI 33 . ? 3.741 8.615 -3.221 0.40 52.63 ? 402 CLA d NC 1 ? ? +56876 HETATM N NC B CLA GI 33 . ? 3.835 8.562 -3.082 0.60 52.03 ? 402 CLA d NC 1 ? ? +56877 HETATM C C1C A CLA GI 33 . ? 2.615 8.922 -2.506 0.40 52.84 ? 402 CLA d C1C 1 ? ? +56878 HETATM C C1C B CLA GI 33 . ? 2.722 8.875 -2.357 0.60 52.07 ? 402 CLA d C1C 1 ? ? +56879 HETATM C C2C A CLA GI 33 . ? 2.462 10.313 -2.006 0.40 53.08 ? 402 CLA d C2C 1 ? ? +56880 HETATM C C2C B CLA GI 33 . ? 2.552 10.272 -1.903 0.60 52.11 ? 402 CLA d C2C 1 ? ? +56881 HETATM C C3C A CLA GI 33 . ? 3.626 10.960 -2.563 0.40 53.03 ? 402 CLA d C3C 1 ? ? +56882 HETATM C C3C B CLA GI 33 . ? 3.693 10.919 -2.504 0.60 52.02 ? 402 CLA d C3C 1 ? ? +56883 HETATM C C4C A CLA GI 33 . ? 4.273 9.878 -3.309 0.40 52.67 ? 402 CLA d C4C 1 ? ? +56884 HETATM C C4C B CLA GI 33 . ? 4.354 9.827 -3.222 0.60 51.85 ? 402 CLA d C4C 1 ? ? +56885 HETATM C CMC A CLA GI 33 . ? 1.397 10.947 -1.159 0.40 53.50 ? 402 CLA d CMC 1 ? ? +56886 HETATM C CMC B CLA GI 33 . ? 1.484 10.902 -1.061 0.60 52.46 ? 402 CLA d CMC 1 ? ? +56887 HETATM C CAC A CLA GI 33 . ? 4.038 12.397 -2.504 0.40 53.36 ? 402 CLA d CAC 1 ? ? +56888 HETATM C CAC B CLA GI 33 . ? 4.055 12.368 -2.485 0.60 52.14 ? 402 CLA d CAC 1 ? ? +56889 HETATM C CBC A CLA GI 33 . ? 3.048 13.101 -3.433 0.40 53.38 ? 402 CLA d CBC 1 ? ? +56890 HETATM C CBC B CLA GI 33 . ? 3.038 13.030 -3.428 0.60 52.09 ? 402 CLA d CBC 1 ? ? +56891 HETATM N ND A CLA GI 33 . ? 6.087 7.782 -3.994 0.40 51.84 ? 402 CLA d ND 1 ? ? +56892 HETATM N ND B CLA GI 33 . ? 6.152 7.727 -3.957 0.60 51.41 ? 402 CLA d ND 1 ? ? +56893 HETATM C C1D A CLA GI 33 . ? 6.410 9.181 -4.349 0.40 51.85 ? 402 CLA d C1D 1 ? ? +56894 HETATM C C1D B CLA GI 33 . ? 6.455 9.121 -4.337 0.60 51.22 ? 402 CLA d C1D 1 ? ? +56895 HETATM C C2D A CLA GI 33 . ? 7.725 9.376 -5.038 0.40 51.52 ? 402 CLA d C2D 1 ? ? +56896 HETATM C C2D B CLA GI 33 . ? 7.751 9.318 -5.055 0.60 50.77 ? 402 CLA d C2D 1 ? ? +56897 HETATM C C3D A CLA GI 33 . ? 8.097 7.972 -5.223 0.40 51.19 ? 402 CLA d C3D 1 ? ? +56898 HETATM C C3D B CLA GI 33 . ? 8.117 7.914 -5.246 0.60 50.60 ? 402 CLA d C3D 1 ? ? +56899 HETATM C C4D A CLA GI 33 . ? 7.117 7.199 -4.722 0.40 51.23 ? 402 CLA d C4D 1 ? ? +56900 HETATM C C4D B CLA GI 33 . ? 7.146 7.142 -4.722 0.60 50.69 ? 402 CLA d C4D 1 ? ? +56901 HETATM C CMD A CLA GI 33 . ? 8.571 10.530 -5.507 0.40 51.56 ? 402 CLA d CMD 1 ? ? +56902 HETATM C CMD B CLA GI 33 . ? 8.585 10.473 -5.541 0.60 50.68 ? 402 CLA d CMD 1 ? ? +56903 HETATM C CAD A CLA GI 33 . ? 9.165 7.121 -5.812 0.40 50.77 ? 402 CLA d CAD 1 ? ? +56904 HETATM C CAD B CLA GI 33 . ? 9.170 7.061 -5.857 0.60 50.17 ? 402 CLA d CAD 1 ? ? +56905 HETATM O OBD A CLA GI 33 . ? 10.213 7.533 -6.412 0.40 50.55 ? 402 CLA d OBD 1 ? ? +56906 HETATM O OBD B CLA GI 33 . ? 10.194 7.466 -6.490 0.60 49.95 ? 402 CLA d OBD 1 ? ? +56907 HETATM C CBD A CLA GI 33 . ? 8.790 5.688 -5.608 0.40 50.69 ? 402 CLA d CBD 1 ? ? +56908 HETATM C CBD B CLA GI 33 . ? 8.785 5.632 -5.647 0.60 50.14 ? 402 CLA d CBD 1 ? ? +56909 HETATM C CGD A CLA GI 33 . ? 8.618 4.992 -6.935 0.40 50.22 ? 402 CLA d CGD 1 ? ? +56910 HETATM C CGD B CLA GI 33 . ? 8.529 4.964 -6.977 0.60 49.62 ? 402 CLA d CGD 1 ? ? +56911 HETATM O O1D A CLA GI 33 . ? 8.198 5.566 -7.925 0.40 50.18 ? 402 CLA d O1D 1 ? ? +56912 HETATM O O1D B CLA GI 33 . ? 7.848 5.471 -7.855 0.60 49.55 ? 402 CLA d O1D 1 ? ? +56913 HETATM O O2D A CLA GI 33 . ? 8.939 3.598 -7.118 0.40 49.85 ? 402 CLA d O2D 1 ? ? +56914 HETATM O O2D B CLA GI 33 . ? 9.064 3.668 -7.291 0.60 49.16 ? 402 CLA d O2D 1 ? ? +56915 HETATM C CED A CLA GI 33 . ? 8.566 2.990 -8.352 0.40 49.54 ? 402 CLA d CED 1 ? ? +56916 HETATM C CED B CLA GI 33 . ? 8.620 3.034 -8.487 0.60 48.84 ? 402 CLA d CED 1 ? ? +56917 HETATM C C1 A CLA GI 33 . ? 8.243 2.923 1.622 0.40 51.88 ? 402 CLA d C1 1 ? ? +56918 HETATM C C1 B CLA GI 33 . ? 8.292 2.910 1.713 0.60 52.31 ? 402 CLA d C1 1 ? ? +56919 HETATM C C2 A CLA GI 33 . ? 7.247 1.861 2.036 0.40 51.93 ? 402 CLA d C2 1 ? ? +56920 HETATM C C2 B CLA GI 33 . ? 7.312 1.813 2.073 0.60 52.47 ? 402 CLA d C2 1 ? ? +56921 HETATM C C3 A CLA GI 33 . ? 7.598 0.568 2.057 0.40 51.92 ? 402 CLA d C3 1 ? ? +56922 HETATM C C3 B CLA GI 33 . ? 7.639 0.512 2.041 0.60 52.76 ? 402 CLA d C3 1 ? ? +56923 HETATM C C4 A CLA GI 33 . ? 8.992 0.169 1.675 0.40 51.71 ? 402 CLA d C4 1 ? ? +56924 HETATM C C4 B CLA GI 33 . ? 9.013 0.064 1.643 0.60 52.48 ? 402 CLA d C4 1 ? ? +56925 HETATM C C5 A CLA GI 33 . ? 6.606 -0.498 2.465 0.40 52.13 ? 402 CLA d C5 1 ? ? +56926 HETATM C C5 B CLA GI 33 . ? 6.615 -0.539 2.405 0.60 53.26 ? 402 CLA d C5 1 ? ? +56927 HETATM C C6 A CLA GI 33 . ? 6.118 -1.319 1.262 0.40 51.95 ? 402 CLA d C6 1 ? ? +56928 HETATM C C6 B CLA GI 33 . ? 6.173 -1.361 1.186 0.60 53.44 ? 402 CLA d C6 1 ? ? +56929 HETATM C C7 A CLA GI 33 . ? 5.276 -0.433 0.359 0.40 52.05 ? 402 CLA d C7 1 ? ? +56930 HETATM C C7 B CLA GI 33 . ? 5.203 -0.577 0.312 0.60 53.89 ? 402 CLA d C7 1 ? ? +56931 HETATM C C8 A CLA GI 33 . ? 5.152 -0.684 -1.137 0.40 51.90 ? 402 CLA d C8 1 ? ? +56932 HETATM C C8 B CLA GI 33 . ? 5.143 -0.801 -1.193 0.60 54.14 ? 402 CLA d C8 1 ? ? +56933 HETATM C C9 A CLA GI 33 . ? 6.282 -1.141 -2.019 0.40 51.60 ? 402 CLA d C9 1 ? ? +56934 HETATM C C9 B CLA GI 33 . ? 6.285 -1.291 -2.050 0.60 53.93 ? 402 CLA d C9 1 ? ? +56935 HETATM C C10 A CLA GI 33 . ? 3.851 -0.126 -1.735 0.40 52.17 ? 402 CLA d C10 1 ? ? +56936 HETATM C C10 B CLA GI 33 . ? 3.869 -0.211 -1.832 0.60 54.78 ? 402 CLA d C10 1 ? ? +56937 HETATM C C11 A CLA GI 33 . ? 3.237 -1.116 -2.746 0.40 52.20 ? 402 CLA d C11 1 ? ? +56938 HETATM C C11 B CLA GI 33 . ? 3.209 -1.196 -2.818 0.60 55.29 ? 402 CLA d C11 1 ? ? +56939 HETATM C C12 A CLA GI 33 . ? 1.981 -0.520 -3.384 0.40 52.68 ? 402 CLA d C12 1 ? ? +56940 HETATM C C12 B CLA GI 33 . ? 1.979 -0.537 -3.432 0.60 56.47 ? 402 CLA d C12 1 ? ? +56941 HETATM C C13 A CLA GI 33 . ? 1.357 -1.347 -4.509 0.40 52.81 ? 402 CLA d C13 1 ? ? +56942 HETATM C C13 B CLA GI 33 . ? 1.321 -1.303 -4.577 0.60 57.26 ? 402 CLA d C13 1 ? ? +56943 HETATM C C14 A CLA GI 33 . ? 0.648 -0.461 -5.526 0.40 52.82 ? 402 CLA d C14 1 ? ? +56944 HETATM C C14 B CLA GI 33 . ? 0.630 -0.354 -5.548 0.60 57.37 ? 402 CLA d C14 1 ? ? +56945 HETATM C C15 A CLA GI 33 . ? 0.327 -2.319 -3.944 0.40 53.39 ? 402 CLA d C15 1 ? ? +56946 HETATM C C15 B CLA GI 33 . ? 0.267 -2.270 -4.041 0.60 58.50 ? 402 CLA d C15 1 ? ? +56947 HETATM C C16 A CLA GI 33 . ? -0.129 -3.310 -5.006 0.40 53.45 ? 402 CLA d C16 1 ? ? +56948 HETATM C C16 B CLA GI 33 . ? 0.022 -3.403 -5.029 0.60 59.16 ? 402 CLA d C16 1 ? ? +56949 HETATM C C17 A CLA GI 33 . ? -0.418 -4.654 -4.354 0.40 53.83 ? 402 CLA d C17 1 ? ? +56950 HETATM C C17 B CLA GI 33 . ? -0.370 -4.691 -4.315 0.60 59.93 ? 402 CLA d C17 1 ? ? +56951 HETATM C C18 A CLA GI 33 . ? -1.897 -4.961 -4.249 0.40 54.55 ? 402 CLA d C18 1 ? ? +56952 HETATM C C18 B CLA GI 33 . ? -1.853 -4.973 -4.275 0.60 61.27 ? 402 CLA d C18 1 ? ? +56953 HETATM C C19 A CLA GI 33 . ? -2.402 -5.777 -3.067 0.40 55.09 ? 402 CLA d C19 1 ? ? +56954 HETATM C C19 B CLA GI 33 . ? -2.389 -5.854 -3.158 0.60 62.19 ? 402 CLA d C19 1 ? ? +56955 HETATM C C20 A CLA GI 33 . ? -2.923 -4.247 -5.125 0.40 54.98 ? 402 CLA d C20 1 ? ? +56956 HETATM C C20 B CLA GI 33 . ? -2.872 -4.229 -5.137 0.60 62.41 ? 402 CLA d C20 1 ? ? +56957 HETATM C C1B . LMT GJ 37 . ? 15.248 -34.792 4.198 1.00 91.65 ? 103 LMT m C1B 1 ? ? +56958 HETATM C C2B . LMT GJ 37 . ? 15.610 -34.231 5.576 1.00 91.02 ? 103 LMT m C2B 1 ? ? +56959 HETATM C C3B . LMT GJ 37 . ? 17.124 -34.154 5.775 1.00 94.22 ? 103 LMT m C3B 1 ? ? +56960 HETATM C C4B . LMT GJ 37 . ? 17.773 -35.494 5.467 1.00 95.24 ? 103 LMT m C4B 1 ? ? +56961 HETATM C C5B . LMT GJ 37 . ? 17.400 -35.900 4.048 1.00 93.44 ? 103 LMT m C5B 1 ? ? +56962 HETATM C C6B . LMT GJ 37 . ? 18.010 -37.220 3.607 1.00 91.96 ? 103 LMT m C6B 1 ? ? +56963 HETATM O O1B . LMT GJ 37 . ? 15.559 -33.857 3.178 1.00 90.77 ? 103 LMT m O1B 1 ? ? +56964 HETATM O O2B . LMT GJ 37 . ? 15.050 -32.936 5.765 1.00 87.51 ? 103 LMT m O2B 1 ? ? +56965 HETATM O O3B . LMT GJ 37 . ? 17.433 -33.750 7.112 1.00 96.45 ? 103 LMT m O3B 1 ? ? +56966 HETATM O O4' . LMT GJ 37 . ? 19.196 -35.413 5.583 1.00 96.47 ? 103 LMT m O4' 1 ? ? +56967 HETATM O O5B . LMT GJ 37 . ? 15.952 -36.020 3.971 1.00 92.82 ? 103 LMT m O5B 1 ? ? +56968 HETATM O O6B . LMT GJ 37 . ? 18.152 -38.154 4.678 1.00 90.28 ? 103 LMT m O6B 1 ? ? +56969 HETATM C C1' . LMT GJ 37 . ? 14.058 -32.061 -0.297 1.00 83.65 ? 103 LMT m C1' 1 ? ? +56970 HETATM C C2' . LMT GJ 37 . ? 13.449 -31.598 1.023 1.00 85.23 ? 103 LMT m C2' 1 ? ? +56971 HETATM C C3' . LMT GJ 37 . ? 14.207 -32.117 2.258 1.00 87.54 ? 103 LMT m C3' 1 ? ? +56972 HETATM C C4' . LMT GJ 37 . ? 14.626 -33.576 2.115 1.00 88.69 ? 103 LMT m C4' 1 ? ? +56973 HETATM C C5' . LMT GJ 37 . ? 15.291 -33.789 0.756 1.00 87.00 ? 103 LMT m C5' 1 ? ? +56974 HETATM C C6' . LMT GJ 37 . ? 15.704 -35.210 0.476 1.00 85.47 ? 103 LMT m C6' 1 ? ? +56975 HETATM O O1' . LMT GJ 37 . ? 13.120 -31.859 -1.314 1.00 80.35 ? 103 LMT m O1' 1 ? ? +56976 HETATM O O2' . LMT GJ 37 . ? 13.440 -30.173 1.051 1.00 85.88 ? 103 LMT m O2' 1 ? ? +56977 HETATM O O3' . LMT GJ 37 . ? 13.372 -31.958 3.403 1.00 88.58 ? 103 LMT m O3' 1 ? ? +56978 HETATM O O5' . LMT GJ 37 . ? 14.359 -33.438 -0.274 1.00 85.71 ? 103 LMT m O5' 1 ? ? +56979 HETATM O O6' . LMT GJ 37 . ? 15.841 -35.424 -0.931 1.00 82.47 ? 103 LMT m O6' 1 ? ? +56980 HETATM C C1 . LMT GJ 37 . ? 13.679 -31.785 -2.637 1.00 77.05 ? 103 LMT m C1 1 ? ? +56981 HETATM C C2 . LMT GJ 37 . ? 13.000 -30.644 -3.306 1.00 75.14 ? 103 LMT m C2 1 ? ? +56982 HETATM C C3 . LMT GJ 37 . ? 13.158 -30.628 -4.796 1.00 72.86 ? 103 LMT m C3 1 ? ? +56983 HETATM C C4 . LMT GJ 37 . ? 12.383 -29.504 -5.420 1.00 71.71 ? 103 LMT m C4 1 ? ? +56984 HETATM C C5 . LMT GJ 37 . ? 12.569 -29.364 -6.889 1.00 71.37 ? 103 LMT m C5 1 ? ? +56985 HETATM C C6 . LMT GJ 37 . ? 11.926 -28.136 -7.455 1.00 72.46 ? 103 LMT m C6 1 ? ? +56986 HETATM C C7 . LMT GJ 37 . ? 12.462 -27.735 -8.798 1.00 73.54 ? 103 LMT m C7 1 ? ? +56987 HETATM C C8 . LMT GJ 37 . ? 11.848 -26.486 -9.340 1.00 75.19 ? 103 LMT m C8 1 ? ? +56988 HETATM C C9 . LMT GJ 37 . ? 12.191 -26.207 -10.780 1.00 77.67 ? 103 LMT m C9 1 ? ? +56989 HETATM C C10 . LMT GJ 37 . ? 12.637 -24.786 -11.028 1.00 80.57 ? 103 LMT m C10 1 ? ? +56990 HETATM C C11 . LMT GJ 37 . ? 12.410 -24.258 -12.419 1.00 81.96 ? 103 LMT m C11 1 ? ? +56991 HETATM C C12 . LMT GJ 37 . ? 12.213 -22.757 -12.457 1.00 82.81 ? 103 LMT m C12 1 ? ? +56992 HETATM MG MG . CLA GK 33 . ? 48.498 -32.050 -41.132 1.00 48.25 ? 408 CLA A MG 1 ? ? +56993 HETATM C CHA . CLA GK 33 . ? 48.340 -31.129 -44.419 1.00 48.43 ? 408 CLA A CHA 1 ? ? +56994 HETATM C CHB . CLA GK 33 . ? 49.320 -35.197 -42.124 1.00 49.10 ? 408 CLA A CHB 1 ? ? +56995 HETATM C CHC . CLA GK 33 . ? 49.868 -32.764 -37.959 1.00 48.78 ? 408 CLA A CHC 1 ? ? +56996 HETATM C CHD . CLA GK 33 . ? 48.864 -28.548 -40.241 1.00 48.12 ? 408 CLA A CHD 1 ? ? +56997 HETATM N NA . CLA GK 33 . ? 48.806 -32.979 -42.893 1.00 48.82 ? 408 CLA A NA 1 ? ? +56998 HETATM C C1A . CLA GK 33 . ? 48.612 -32.527 -44.091 1.00 48.97 ? 408 CLA A C1A 1 ? ? +56999 HETATM C C2A . CLA GK 33 . ? 48.577 -33.562 -45.174 1.00 49.63 ? 408 CLA A C2A 1 ? ? +57000 HETATM C C3A . CLA GK 33 . ? 48.526 -34.825 -44.376 1.00 49.35 ? 408 CLA A C3A 1 ? ? +57001 HETATM C C4A . CLA GK 33 . ? 48.964 -34.309 -43.035 1.00 49.13 ? 408 CLA A C4A 1 ? ? +57002 HETATM C CMA . CLA GK 33 . ? 47.087 -35.426 -44.328 1.00 48.72 ? 408 CLA A CMA 1 ? ? +57003 HETATM C CAA . CLA GK 33 . ? 49.774 -33.570 -46.098 1.00 51.30 ? 408 CLA A CAA 1 ? ? +57004 HETATM C CBA . CLA GK 33 . ? 51.085 -33.615 -45.323 1.00 53.13 ? 408 CLA A CBA 1 ? ? +57005 HETATM C CGA . CLA GK 33 . ? 52.223 -33.780 -46.281 1.00 55.74 ? 408 CLA A CGA 1 ? ? +57006 HETATM O O1A . CLA GK 33 . ? 52.122 -33.418 -47.435 1.00 56.10 ? 408 CLA A O1A 1 ? ? +57007 HETATM O O2A . CLA GK 33 . ? 53.464 -34.360 -45.818 1.00 60.39 ? 408 CLA A O2A 1 ? ? +57008 HETATM N NB . CLA GK 33 . ? 49.456 -33.640 -40.229 1.00 48.77 ? 408 CLA A NB 1 ? ? +57009 HETATM C C1B . CLA GK 33 . ? 49.607 -34.884 -40.730 1.00 49.01 ? 408 CLA A C1B 1 ? ? +57010 HETATM C C2B . CLA GK 33 . ? 50.225 -35.921 -39.857 1.00 49.31 ? 408 CLA A C2B 1 ? ? +57011 HETATM C C3B . CLA GK 33 . ? 50.393 -35.165 -38.627 1.00 49.26 ? 408 CLA A C3B 1 ? ? +57012 HETATM C C4B . CLA GK 33 . ? 49.837 -33.831 -38.944 1.00 48.89 ? 408 CLA A C4B 1 ? ? +57013 HETATM C CMB . CLA GK 33 . ? 50.549 -37.355 -40.193 1.00 49.62 ? 408 CLA A CMB 1 ? ? +57014 HETATM C CAB . CLA GK 33 . ? 50.897 -35.607 -37.297 1.00 49.54 ? 408 CLA A CAB 1 ? ? +57015 HETATM C CBB . CLA GK 33 . ? 51.007 -36.869 -36.949 1.00 49.71 ? 408 CLA A CBB 1 ? ? +57016 HETATM N NC . CLA GK 33 . ? 49.239 -30.931 -39.530 1.00 48.41 ? 408 CLA A NC 1 ? ? +57017 HETATM C C1C . CLA GK 33 . ? 49.666 -31.372 -38.312 1.00 48.59 ? 408 CLA A C1C 1 ? ? +57018 HETATM C C2C . CLA GK 33 . ? 49.986 -30.363 -37.302 1.00 48.69 ? 408 CLA A C2C 1 ? ? +57019 HETATM C C3C . CLA GK 33 . ? 49.683 -29.113 -37.975 1.00 48.47 ? 408 CLA A C3C 1 ? ? +57020 HETATM C C4C . CLA GK 33 . ? 49.197 -29.580 -39.276 1.00 48.28 ? 408 CLA A C4C 1 ? ? +57021 HETATM C CMC . CLA GK 33 . ? 50.525 -30.552 -35.911 1.00 49.03 ? 408 CLA A CMC 1 ? ? +57022 HETATM C CAC . CLA GK 33 . ? 49.841 -27.703 -37.472 1.00 48.49 ? 408 CLA A CAC 1 ? ? +57023 HETATM C CBC . CLA GK 33 . ? 51.178 -27.135 -37.907 1.00 49.16 ? 408 CLA A CBC 1 ? ? +57024 HETATM N ND . CLA GK 33 . ? 48.884 -30.300 -42.061 1.00 48.35 ? 408 CLA A ND 1 ? ? +57025 HETATM C C1D . CLA GK 33 . ? 48.608 -28.937 -41.592 1.00 48.09 ? 408 CLA A C1D 1 ? ? +57026 HETATM C C2D . CLA GK 33 . ? 48.262 -28.006 -42.684 1.00 47.97 ? 408 CLA A C2D 1 ? ? +57027 HETATM C C3D . CLA GK 33 . ? 48.120 -28.949 -43.802 1.00 48.03 ? 408 CLA A C3D 1 ? ? +57028 HETATM C C4D . CLA GK 33 . ? 48.369 -30.176 -43.341 1.00 48.21 ? 408 CLA A C4D 1 ? ? +57029 HETATM C CMD . CLA GK 33 . ? 48.004 -26.537 -42.789 1.00 47.84 ? 408 CLA A CMD 1 ? ? +57030 HETATM C CAD . CLA GK 33 . ? 47.811 -29.058 -45.248 1.00 48.01 ? 408 CLA A CAD 1 ? ? +57031 HETATM O OBD . CLA GK 33 . ? 47.457 -28.118 -46.029 1.00 47.89 ? 408 CLA A OBD 1 ? ? +57032 HETATM C CBD . CLA GK 33 . ? 47.885 -30.479 -45.671 1.00 48.17 ? 408 CLA A CBD 1 ? ? +57033 HETATM C CGD . CLA GK 33 . ? 46.469 -30.903 -46.053 1.00 47.56 ? 408 CLA A CGD 1 ? ? +57034 HETATM O O1D . CLA GK 33 . ? 45.564 -31.159 -45.236 1.00 47.05 ? 408 CLA A O1D 1 ? ? +57035 HETATM O O2D . CLA GK 33 . ? 46.176 -30.976 -47.466 1.00 47.55 ? 408 CLA A O2D 1 ? ? +57036 HETATM C CED . CLA GK 33 . ? 44.822 -31.212 -47.889 1.00 47.02 ? 408 CLA A CED 1 ? ? +57037 HETATM C C1 . CLA GK 33 . ? 54.476 -34.614 -46.775 1.00 65.40 ? 408 CLA A C1 1 ? ? +57038 HETATM C C2 . CLA GK 33 . ? 54.914 -36.050 -46.648 1.00 70.12 ? 408 CLA A C2 1 ? ? +57039 HETATM C C3 . CLA GK 33 . ? 55.869 -36.371 -45.767 1.00 78.87 ? 408 CLA A C3 1 ? ? +57040 HETATM C C4 . CLA GK 33 . ? 56.482 -35.292 -44.897 1.00 79.72 ? 408 CLA A C4 1 ? ? +57041 HETATM C C5 . CLA GK 33 . ? 56.288 -37.827 -45.672 1.00 86.16 ? 408 CLA A C5 1 ? ? +57042 HETATM C C6 . CLA GK 33 . ? 57.604 -38.036 -44.904 1.00 91.63 ? 408 CLA A C6 1 ? ? +57043 HETATM C C7 . CLA GK 33 . ? 57.636 -39.294 -44.028 1.00 97.55 ? 408 CLA A C7 1 ? ? +57044 HETATM C C8 . CLA GK 33 . ? 58.846 -40.059 -44.550 1.00 105.29 ? 408 CLA A C8 1 ? ? +57045 HETATM C C9 . CLA GK 33 . ? 60.151 -40.050 -43.773 1.00 105.47 ? 408 CLA A C9 1 ? ? +57046 HETATM C C10 . CLA GK 33 . ? 58.704 -40.906 -45.804 1.00 113.62 ? 408 CLA A C10 1 ? ? +57047 HETATM C C11 . CLA GK 33 . ? 57.268 -41.209 -46.286 1.00 118.47 ? 408 CLA A C11 1 ? ? +57048 HETATM C C12 . CLA GK 33 . ? 56.538 -42.330 -45.549 1.00 121.37 ? 408 CLA A C12 1 ? ? +57049 HETATM C C13 . CLA GK 33 . ? 55.489 -43.006 -46.444 1.00 125.00 ? 408 CLA A C13 1 ? ? +57050 HETATM C C14 . CLA GK 33 . ? 54.640 -41.997 -47.221 1.00 124.50 ? 408 CLA A C14 1 ? ? +57051 HETATM C C15 . CLA GK 33 . ? 54.539 -43.914 -45.651 1.00 130.53 ? 408 CLA A C15 1 ? ? +57052 HETATM C C16 . CLA GK 33 . ? 55.110 -44.487 -44.350 1.00 133.07 ? 408 CLA A C16 1 ? ? +57053 HETATM C C17 . CLA GK 33 . ? 54.159 -45.526 -43.745 1.00 133.04 ? 408 CLA A C17 1 ? ? +57054 HETATM C C18 . CLA GK 33 . ? 54.806 -46.356 -42.631 1.00 127.12 ? 408 CLA A C18 1 ? ? +57055 HETATM C C19 . CLA GK 33 . ? 56.159 -45.977 -42.028 1.00 124.74 ? 408 CLA A C19 1 ? ? +57056 HETATM C C20 . CLA GK 33 . ? 53.974 -47.472 -41.955 1.00 125.07 ? 408 CLA A C20 1 ? ? +57057 HETATM MG MG . CLA GL 33 . ? 6.020 -33.301 -8.085 1.00 48.59 ? 614 CLA B MG 1 ? ? +57058 HETATM C CHA . CLA GL 33 . ? 7.660 -33.619 -5.022 1.00 49.84 ? 614 CLA B CHA 1 ? ? +57059 HETATM C CHB . CLA GL 33 . ? 3.116 -32.782 -6.381 1.00 49.62 ? 614 CLA B CHB 1 ? ? +57060 HETATM C CHC . CLA GL 33 . ? 4.606 -31.582 -10.831 1.00 47.55 ? 614 CLA B CHC 1 ? ? +57061 HETATM C CHD . CLA GL 33 . ? 9.244 -32.582 -9.575 1.00 47.67 ? 614 CLA B CHD 1 ? ? +57062 HETATM N NA . CLA GL 33 . ? 5.488 -33.172 -6.144 1.00 49.73 ? 614 CLA B NA 1 ? ? +57063 HETATM C C1A . CLA GL 33 . ? 6.208 -33.410 -5.072 1.00 50.34 ? 614 CLA B C1A 1 ? ? +57064 HETATM C C2A . CLA GL 33 . ? 5.450 -33.539 -3.791 1.00 51.43 ? 614 CLA B C2A 1 ? ? +57065 HETATM C C3A . CLA GL 33 . ? 4.023 -33.454 -4.267 1.00 50.99 ? 614 CLA B C3A 1 ? ? +57066 HETATM C C4A . CLA GL 33 . ? 4.205 -33.104 -5.707 1.00 50.12 ? 614 CLA B C4A 1 ? ? +57067 HETATM C CMA . CLA GL 33 . ? 3.287 -34.768 -4.086 1.00 51.43 ? 614 CLA B CMA 1 ? ? +57068 HETATM C CAA . CLA GL 33 . ? 5.779 -32.443 -2.793 1.00 52.70 ? 614 CLA B CAA 1 ? ? +57069 HETATM C CBA . CLA GL 33 . ? 5.635 -31.029 -3.353 1.00 53.59 ? 614 CLA B CBA 1 ? ? +57070 HETATM C CGA . CLA GL 33 . ? 6.920 -30.568 -4.001 1.00 55.45 ? 614 CLA B CGA 1 ? ? +57071 HETATM O O1A . CLA GL 33 . ? 8.019 -30.693 -3.446 1.00 55.77 ? 614 CLA B O1A 1 ? ? +57072 HETATM O O2A . CLA GL 33 . ? 6.862 -29.945 -5.311 1.00 58.51 ? 614 CLA B O2A 1 ? ? +57073 HETATM N NB . CLA GL 33 . ? 4.240 -32.321 -8.511 1.00 48.58 ? 614 CLA B NB 1 ? ? +57074 HETATM C C1B . CLA GL 33 . ? 3.113 -32.300 -7.752 1.00 48.96 ? 614 CLA B C1B 1 ? ? +57075 HETATM C C2B . CLA GL 33 . ? 1.894 -31.646 -8.300 1.00 48.90 ? 614 CLA B C2B 1 ? ? +57076 HETATM C C3B . CLA GL 33 . ? 2.386 -31.270 -9.616 1.00 48.35 ? 614 CLA B C3B 1 ? ? +57077 HETATM C C4B . CLA GL 33 . ? 3.774 -31.793 -9.661 1.00 48.09 ? 614 CLA B C4B 1 ? ? +57078 HETATM C CMB . CLA GL 33 . ? 0.549 -31.444 -7.635 1.00 49.37 ? 614 CLA B CMB 1 ? ? +57079 HETATM C CAB . CLA GL 33 . ? 1.661 -30.682 -10.767 1.00 48.14 ? 614 CLA B CAB 1 ? ? +57080 HETATM C CBB . CLA GL 33 . ? 0.349 -30.772 -10.888 1.00 48.45 ? 614 CLA B CBB 1 ? ? +57081 HETATM N NC . CLA GL 33 . ? 6.734 -32.286 -9.753 1.00 47.65 ? 614 CLA B NC 1 ? ? +57082 HETATM C C1C . CLA GL 33 . ? 6.064 -31.751 -10.801 1.00 47.37 ? 614 CLA B C1C 1 ? ? +57083 HETATM C C2C . CLA GL 33 . ? 6.857 -31.175 -11.917 1.00 46.77 ? 614 CLA B C2C 1 ? ? +57084 HETATM C C3C . CLA GL 33 . ? 8.206 -31.467 -11.537 1.00 46.90 ? 614 CLA B C3C 1 ? ? +57085 HETATM C C4C . CLA GL 33 . ? 8.012 -32.176 -10.262 1.00 47.47 ? 614 CLA B C4C 1 ? ? +57086 HETATM C CMC . CLA GL 33 . ? 6.424 -30.469 -13.171 1.00 46.41 ? 614 CLA B CMC 1 ? ? +57087 HETATM C CAC . CLA GL 33 . ? 9.480 -31.157 -12.304 1.00 46.62 ? 614 CLA B CAC 1 ? ? +57088 HETATM C CBC . CLA GL 33 . ? 9.961 -29.747 -12.049 1.00 46.38 ? 614 CLA B CBC 1 ? ? +57089 HETATM N ND . CLA GL 33 . ? 7.939 -32.860 -7.454 1.00 48.78 ? 614 CLA B ND 1 ? ? +57090 HETATM C C1D . CLA GL 33 . ? 9.195 -32.979 -8.203 1.00 48.20 ? 614 CLA B C1D 1 ? ? +57091 HETATM C C2D . CLA GL 33 . ? 10.360 -33.266 -7.337 1.00 48.74 ? 614 CLA B C2D 1 ? ? +57092 HETATM C C3D . CLA GL 33 . ? 9.669 -33.528 -6.073 1.00 49.15 ? 614 CLA B C3D 1 ? ? +57093 HETATM C C4D . CLA GL 33 . ? 8.365 -33.405 -6.252 1.00 49.18 ? 614 CLA B C4D 1 ? ? +57094 HETATM C CMD . CLA GL 33 . ? 11.858 -33.391 -7.499 1.00 48.76 ? 614 CLA B CMD 1 ? ? +57095 HETATM C CAD . CLA GL 33 . ? 9.907 -33.920 -4.678 1.00 49.75 ? 614 CLA B CAD 1 ? ? +57096 HETATM O OBD . CLA GL 33 . ? 11.032 -34.155 -4.159 1.00 50.04 ? 614 CLA B OBD 1 ? ? +57097 HETATM C CBD . CLA GL 33 . ? 8.622 -33.962 -3.926 1.00 50.11 ? 614 CLA B CBD 1 ? ? +57098 HETATM C CGD . CLA GL 33 . ? 8.488 -35.276 -3.236 1.00 50.62 ? 614 CLA B CGD 1 ? ? +57099 HETATM O O1D . CLA GL 33 . ? 7.644 -35.471 -2.396 1.00 51.43 ? 614 CLA B O1D 1 ? ? +57100 HETATM O O2D . CLA GL 33 . ? 9.380 -36.362 -3.512 1.00 50.61 ? 614 CLA B O2D 1 ? ? +57101 HETATM C CED . CLA GL 33 . ? 9.312 -37.557 -2.745 1.00 51.11 ? 614 CLA B CED 1 ? ? +57102 HETATM C C1 . CLA GL 33 . ? 8.086 -29.545 -5.936 1.00 61.68 ? 614 CLA B C1 1 ? ? +57103 HETATM C C2 . CLA GL 33 . ? 7.834 -29.298 -7.406 1.00 64.71 ? 614 CLA B C2 1 ? ? +57104 HETATM C C3 . CLA GL 33 . ? 7.567 -28.081 -7.871 1.00 70.20 ? 614 CLA B C3 1 ? ? +57105 HETATM C C4 . CLA GL 33 . ? 7.510 -26.919 -6.925 1.00 71.46 ? 614 CLA B C4 1 ? ? +57106 HETATM C C5 . CLA GL 33 . ? 7.306 -27.885 -9.339 1.00 74.77 ? 614 CLA B C5 1 ? ? +57107 HETATM C C6 . CLA GL 33 . ? 8.033 -26.642 -9.844 1.00 80.00 ? 614 CLA B C6 1 ? ? +57108 HETATM C C7 . CLA GL 33 . ? 7.064 -25.690 -10.563 1.00 86.03 ? 614 CLA B C7 1 ? ? +57109 HETATM C C8 . CLA GL 33 . ? 7.578 -25.215 -11.929 1.00 91.21 ? 614 CLA B C8 1 ? ? +57110 HETATM C C9 . CLA GL 33 . ? 8.681 -25.874 -12.748 1.00 91.12 ? 614 CLA B C9 1 ? ? +57111 HETATM C C10 . CLA GL 33 . ? 6.823 -24.014 -12.585 1.00 96.99 ? 614 CLA B C10 1 ? ? +57112 HETATM C C11 . CLA GL 33 . ? 6.997 -22.745 -11.770 1.00 101.54 ? 614 CLA B C11 1 ? ? +57113 HETATM C C12 . CLA GL 33 . ? 5.641 -22.130 -11.410 1.00 104.83 ? 614 CLA B C12 1 ? ? +57114 HETATM C C13 . CLA GL 33 . ? 5.356 -20.857 -12.212 1.00 104.36 ? 614 CLA B C13 1 ? ? +57115 HETATM C C14 . CLA GL 33 . ? 4.000 -20.270 -11.804 1.00 102.70 ? 614 CLA B C14 1 ? ? +57116 HETATM C C15 . CLA GL 33 . ? 5.419 -21.125 -13.726 1.00 105.98 ? 614 CLA B C15 1 ? ? +57117 HETATM C C16 . CLA GL 33 . ? 6.535 -20.347 -14.440 1.00 102.04 ? 614 CLA B C16 1 ? ? +57118 HETATM C C17 . CLA GL 33 . ? 6.681 -20.826 -15.885 1.00 100.87 ? 614 CLA B C17 1 ? ? +57119 HETATM C C18 . CLA GL 33 . ? 6.860 -19.806 -17.037 1.00 99.33 ? 614 CLA B C18 1 ? ? +57120 HETATM C C19 . CLA GL 33 . ? 6.233 -18.419 -17.084 1.00 100.79 ? 614 CLA B C19 1 ? ? +57121 HETATM C C20 . CLA GL 33 . ? 7.812 -20.321 -18.111 1.00 94.94 ? 614 CLA B C20 1 ? ? +57122 HETATM MG MG . CLA GM 33 . ? 41.741 -66.531 -41.156 1.00 56.75 ? 509 CLA C MG 1 ? ? +57123 HETATM C CHA . CLA GM 33 . ? 40.390 -68.450 -38.696 1.00 57.02 ? 509 CLA C CHA 1 ? ? +57124 HETATM C CHB . CLA GM 33 . ? 43.563 -69.282 -42.205 1.00 58.56 ? 509 CLA C CHB 1 ? ? +57125 HETATM C CHC . CLA GM 33 . ? 42.178 -65.154 -44.394 1.00 56.31 ? 509 CLA C CHC 1 ? ? +57126 HETATM C CHD . CLA GM 33 . ? 38.900 -64.288 -40.872 1.00 54.86 ? 509 CLA C CHD 1 ? ? +57127 HETATM N NA . CLA GM 33 . ? 41.880 -68.492 -40.639 1.00 57.70 ? 509 CLA C NA 1 ? ? +57128 HETATM C C1A . CLA GM 33 . ? 41.384 -69.049 -39.587 1.00 57.86 ? 509 CLA C C1A 1 ? ? +57129 HETATM C C2A . CLA GM 33 . ? 41.924 -70.410 -39.242 1.00 58.96 ? 509 CLA C C2A 1 ? ? +57130 HETATM C C3A . CLA GM 33 . ? 43.022 -70.594 -40.256 1.00 59.16 ? 509 CLA C C3A 1 ? ? +57131 HETATM C C4A . CLA GM 33 . ? 42.793 -69.391 -41.123 1.00 58.45 ? 509 CLA C C4A 1 ? ? +57132 HETATM C CMA . CLA GM 33 . ? 44.413 -70.588 -39.621 1.00 59.69 ? 509 CLA C CMA 1 ? ? +57133 HETATM C CAA . CLA GM 33 . ? 40.841 -71.476 -39.353 1.00 59.58 ? 509 CLA C CAA 1 ? ? +57134 HETATM C CBA . CLA GM 33 . ? 40.162 -71.349 -40.720 1.00 59.76 ? 509 CLA C CBA 1 ? ? +57135 HETATM C CGA . CLA GM 33 . ? 39.110 -72.380 -40.993 1.00 60.56 ? 509 CLA C CGA 1 ? ? +57136 HETATM O O1A . CLA GM 33 . ? 39.235 -73.563 -40.686 1.00 61.14 ? 509 CLA C O1A 1 ? ? +57137 HETATM O O2A . CLA GM 33 . ? 37.933 -71.914 -41.685 1.00 61.11 ? 509 CLA C O2A 1 ? ? +57138 HETATM N NB . CLA GM 33 . ? 42.634 -67.105 -42.950 1.00 57.21 ? 509 CLA C NB 1 ? ? +57139 HETATM C C1B . CLA GM 33 . ? 43.431 -68.192 -43.172 1.00 57.93 ? 509 CLA C C1B 1 ? ? +57140 HETATM C C2B . CLA GM 33 . ? 44.058 -68.343 -44.500 1.00 58.18 ? 509 CLA C C2B 1 ? ? +57141 HETATM C C3B . CLA GM 33 . ? 43.611 -67.106 -45.145 1.00 57.49 ? 509 CLA C C3B 1 ? ? +57142 HETATM C C4B . CLA GM 33 . ? 42.829 -66.416 -44.098 1.00 56.95 ? 509 CLA C C4B 1 ? ? +57143 HETATM C CMB . CLA GM 33 . ? 44.912 -69.484 -44.965 1.00 59.02 ? 509 CLA C CMB 1 ? ? +57144 HETATM C CAB . CLA GM 33 . ? 43.926 -66.534 -46.488 1.00 57.39 ? 509 CLA C CAB 1 ? ? +57145 HETATM C CBB . CLA GM 33 . ? 44.908 -66.967 -47.254 1.00 57.89 ? 509 CLA C CBB 1 ? ? +57146 HETATM N NC . CLA GM 33 . ? 40.736 -65.111 -42.355 1.00 55.91 ? 509 CLA C NC 1 ? ? +57147 HETATM C C1C . CLA GM 33 . ? 41.091 -64.606 -43.576 1.00 55.84 ? 509 CLA C C1C 1 ? ? +57148 HETATM C C2C . CLA GM 33 . ? 40.252 -63.513 -44.153 1.00 55.16 ? 509 CLA C C2C 1 ? ? +57149 HETATM C C3C . CLA GM 33 . ? 39.286 -63.254 -43.090 1.00 54.86 ? 509 CLA C C3C 1 ? ? +57150 HETATM C C4C . CLA GM 33 . ? 39.710 -64.226 -42.067 1.00 55.17 ? 509 CLA C C4C 1 ? ? +57151 HETATM C CMC . CLA GM 33 . ? 40.413 -62.847 -45.499 1.00 54.97 ? 509 CLA C CMC 1 ? ? +57152 HETATM C CAC . CLA GM 33 . ? 38.187 -62.215 -42.997 1.00 54.56 ? 509 CLA C CAC 1 ? ? +57153 HETATM C CBC . CLA GM 33 . ? 36.746 -62.654 -43.177 1.00 54.58 ? 509 CLA C CBC 1 ? ? +57154 HETATM N ND . CLA GM 33 . ? 39.894 -66.528 -40.288 1.00 56.14 ? 509 CLA C ND 1 ? ? +57155 HETATM C C1D . CLA GM 33 . ? 39.066 -65.367 -39.942 1.00 55.29 ? 509 CLA C C1D 1 ? ? +57156 HETATM C C2D . CLA GM 33 . ? 38.315 -65.540 -38.668 1.00 55.18 ? 509 CLA C C2D 1 ? ? +57157 HETATM C C3D . CLA GM 33 . ? 38.904 -66.794 -38.183 1.00 55.84 ? 509 CLA C C3D 1 ? ? +57158 HETATM C C4D . CLA GM 33 . ? 39.832 -67.197 -39.076 1.00 56.31 ? 509 CLA C C4D 1 ? ? +57159 HETATM C CMD . CLA GM 33 . ? 37.260 -64.766 -37.926 1.00 54.64 ? 509 CLA C CMD 1 ? ? +57160 HETATM C CAD . CLA GM 33 . ? 38.840 -67.771 -37.066 1.00 56.20 ? 509 CLA C CAD 1 ? ? +57161 HETATM O OBD . CLA GM 33 . ? 38.137 -67.678 -35.993 1.00 55.91 ? 509 CLA C OBD 1 ? ? +57162 HETATM C CBD . CLA GM 33 . ? 39.890 -68.820 -37.340 1.00 56.94 ? 509 CLA C CBD 1 ? ? +57163 HETATM C CGD . CLA GM 33 . ? 41.032 -68.589 -36.374 1.00 57.00 ? 509 CLA C CGD 1 ? ? +57164 HETATM O O1D . CLA GM 33 . ? 41.309 -67.503 -35.904 1.00 56.41 ? 509 CLA C O1D 1 ? ? +57165 HETATM O O2D . CLA GM 33 . ? 41.862 -69.684 -35.951 1.00 57.73 ? 509 CLA C O2D 1 ? ? +57166 HETATM C CED . CLA GM 33 . ? 43.143 -69.446 -35.365 1.00 58.11 ? 509 CLA C CED 1 ? ? +57167 HETATM C C1 . CLA GM 33 . ? 36.969 -72.872 -42.006 1.00 62.40 ? 509 CLA C C1 1 ? ? +57168 HETATM C C2 . CLA GM 33 . ? 36.127 -72.360 -43.133 1.00 63.25 ? 509 CLA C C2 1 ? ? +57169 HETATM C C3 . CLA GM 33 . ? 34.803 -72.178 -42.991 1.00 64.98 ? 509 CLA C C3 1 ? ? +57170 HETATM C C4 . CLA GM 33 . ? 34.066 -72.463 -41.723 1.00 64.44 ? 509 CLA C C4 1 ? ? +57171 HETATM C C5 . CLA GM 33 . ? 34.022 -71.712 -44.183 1.00 67.29 ? 509 CLA C C5 1 ? ? +57172 HETATM C C6 . CLA GM 33 . ? 33.755 -70.220 -44.216 1.00 68.97 ? 509 CLA C C6 1 ? ? +57173 HETATM C C7 . CLA GM 33 . ? 32.720 -70.075 -45.317 1.00 71.58 ? 509 CLA C C7 1 ? ? +57174 HETATM C C8 . CLA GM 33 . ? 32.421 -68.667 -45.818 1.00 74.53 ? 509 CLA C C8 1 ? ? +57175 HETATM C C9 . CLA GM 33 . ? 32.611 -67.422 -44.955 1.00 74.06 ? 509 CLA C C9 1 ? ? +57176 HETATM C C10 . CLA GM 33 . ? 32.082 -68.643 -47.310 1.00 78.25 ? 509 CLA C C10 1 ? ? +57177 HETATM C C11 . CLA GM 33 . ? 32.260 -67.276 -47.949 1.00 80.98 ? 509 CLA C C11 1 ? ? +57178 HETATM C C12 . CLA GM 33 . ? 31.275 -67.112 -49.100 1.00 86.12 ? 509 CLA C C12 1 ? ? +57179 HETATM C C13 . CLA GM 33 . ? 31.872 -67.469 -50.453 1.00 92.55 ? 509 CLA C C13 1 ? ? +57180 HETATM C C14 . CLA GM 33 . ? 33.149 -66.670 -50.711 1.00 94.22 ? 509 CLA C C14 1 ? ? +57181 HETATM C C15 . CLA GM 33 . ? 30.871 -67.197 -51.572 1.00 97.23 ? 509 CLA C C15 1 ? ? +57182 HETATM C C16 . CLA GM 33 . ? 29.506 -67.841 -51.345 1.00 103.96 ? 509 CLA C C16 1 ? ? +57183 HETATM C C17 . CLA GM 33 . ? 29.564 -69.364 -51.519 1.00 111.24 ? 509 CLA C C17 1 ? ? +57184 HETATM C C18 . CLA GM 33 . ? 28.226 -70.034 -51.927 1.00 117.17 ? 509 CLA C C18 1 ? ? +57185 HETATM C C19 . CLA GM 33 . ? 28.056 -71.532 -51.641 1.00 118.61 ? 509 CLA C C19 1 ? ? +57186 HETATM C C20 . CLA GM 33 . ? 26.983 -69.199 -52.329 1.00 117.12 ? 509 CLA C C20 1 ? ? +57187 HETATM C C1 . LMG GN 34 . ? 10.190 -65.122 -60.567 1.00 57.13 ? 411 LMG D C1 1 ? ? +57188 HETATM O O1 . LMG GN 34 . ? 10.895 -65.899 -59.643 1.00 58.43 ? 411 LMG D O1 1 ? ? +57189 HETATM C C2 . LMG GN 34 . ? 11.206 -64.531 -61.528 1.00 56.50 ? 411 LMG D C2 1 ? ? +57190 HETATM O O2 . LMG GN 34 . ? 12.033 -63.622 -60.815 1.00 55.83 ? 411 LMG D O2 1 ? ? +57191 HETATM C C3 . LMG GN 34 . ? 10.542 -63.833 -62.699 1.00 56.28 ? 411 LMG D C3 1 ? ? +57192 HETATM O O3 . LMG GN 34 . ? 11.550 -63.608 -63.681 1.00 56.12 ? 411 LMG D O3 1 ? ? +57193 HETATM C C4 . LMG GN 34 . ? 9.383 -64.624 -63.309 1.00 56.63 ? 411 LMG D C4 1 ? ? +57194 HETATM O O4 . LMG GN 34 . ? 9.860 -65.657 -64.193 1.00 56.94 ? 411 LMG D O4 1 ? ? +57195 HETATM C C5 . LMG GN 34 . ? 8.495 -65.205 -62.206 1.00 56.74 ? 411 LMG D C5 1 ? ? +57196 HETATM O O5 . LMG GN 34 . ? 6.494 -65.468 -63.530 1.00 56.85 ? 411 LMG D O5 1 ? ? +57197 HETATM C C6 . LMG GN 34 . ? 7.439 -66.156 -62.727 1.00 57.17 ? 411 LMG D C6 1 ? ? +57198 HETATM O O6 . LMG GN 34 . ? 9.278 -65.940 -61.266 1.00 57.20 ? 411 LMG D O6 1 ? ? +57199 HETATM C C7 . LMG GN 34 . ? 10.109 -66.402 -58.550 1.00 60.19 ? 411 LMG D C7 1 ? ? +57200 HETATM C C8 . LMG GN 34 . ? 10.695 -65.931 -57.237 1.00 61.18 ? 411 LMG D C8 1 ? ? +57201 HETATM C C9 . LMG GN 34 . ? 10.082 -66.647 -56.057 1.00 62.18 ? 411 LMG D C9 1 ? ? +57202 HETATM O O7 . LMG GN 34 . ? 12.131 -66.168 -57.204 1.00 61.98 ? 411 LMG D O7 1 ? ? +57203 HETATM C C10 . LMG GN 34 . ? 12.962 -65.119 -57.133 1.00 63.54 ? 411 LMG D C10 1 ? ? +57204 HETATM O O9 . LMG GN 34 . ? 12.598 -63.980 -57.094 1.00 62.44 ? 411 LMG D O9 1 ? ? +57205 HETATM C C11 . LMG GN 34 . ? 14.405 -65.504 -57.079 1.00 66.13 ? 411 LMG D C11 1 ? ? +57206 HETATM C C12 . LMG GN 34 . ? 15.009 -65.284 -55.733 1.00 68.41 ? 411 LMG D C12 1 ? ? +57207 HETATM C C13 . LMG GN 34 . ? 14.331 -66.107 -54.652 1.00 71.50 ? 411 LMG D C13 1 ? ? +57208 HETATM C C14 . LMG GN 34 . ? 15.053 -66.094 -53.332 1.00 75.17 ? 411 LMG D C14 1 ? ? +57209 HETATM C C15 . LMG GN 34 . ? 14.535 -65.067 -52.370 1.00 77.71 ? 411 LMG D C15 1 ? ? +57210 HETATM C C16 . LMG GN 34 . ? 15.378 -64.878 -51.132 1.00 81.60 ? 411 LMG D C16 1 ? ? +57211 HETATM C C17 . LMG GN 34 . ? 14.860 -63.783 -50.236 1.00 85.50 ? 411 LMG D C17 1 ? ? +57212 HETATM C C18 . LMG GN 34 . ? 15.352 -63.803 -48.805 1.00 89.77 ? 411 LMG D C18 1 ? ? +57213 HETATM C C19 . LMG GN 34 . ? 14.355 -63.198 -47.843 1.00 94.05 ? 411 LMG D C19 1 ? ? +57214 HETATM C C20 . LMG GN 34 . ? 14.865 -62.966 -46.445 1.00 97.52 ? 411 LMG D C20 1 ? ? +57215 HETATM C C21 . LMG GN 34 . ? 13.786 -63.035 -45.386 1.00 102.35 ? 411 LMG D C21 1 ? ? +57216 HETATM C C22 . LMG GN 34 . ? 13.819 -64.299 -44.549 1.00 107.33 ? 411 LMG D C22 1 ? ? +57217 HETATM C C23 . LMG GN 34 . ? 13.428 -65.566 -45.284 1.00 111.27 ? 411 LMG D C23 1 ? ? +57218 HETATM C C24 . LMG GN 34 . ? 13.877 -66.852 -44.604 1.00 112.57 ? 411 LMG D C24 1 ? ? +57219 HETATM C C25 . LMG GN 34 . ? 13.059 -68.083 -44.958 1.00 112.04 ? 411 LMG D C25 1 ? ? +57220 HETATM O O8 . LMG GN 34 . ? 10.587 -66.062 -54.837 1.00 62.64 ? 411 LMG D O8 1 ? ? +57221 HETATM C C28 . LMG GN 34 . ? 10.032 -66.508 -53.717 1.00 64.45 ? 411 LMG D C28 1 ? ? +57222 HETATM O O10 . LMG GN 34 . ? 9.178 -67.350 -53.702 1.00 64.57 ? 411 LMG D O10 1 ? ? +57223 HETATM C C29 . LMG GN 34 . ? 10.578 -65.838 -52.495 1.00 65.62 ? 411 LMG D C29 1 ? ? +57224 HETATM C C30 . LMG GN 34 . ? 9.856 -66.258 -51.259 1.00 68.27 ? 411 LMG D C30 1 ? ? +57225 HETATM C C31 . LMG GN 34 . ? 10.299 -65.525 -50.009 1.00 70.80 ? 411 LMG D C31 1 ? ? +57226 HETATM C C32 . LMG GN 34 . ? 9.328 -65.656 -48.853 1.00 74.76 ? 411 LMG D C32 1 ? ? +57227 HETATM C C33 . LMG GN 34 . ? 9.834 -66.477 -47.682 1.00 79.64 ? 411 LMG D C33 1 ? ? +57228 HETATM C C34 . LMG GN 34 . ? 8.732 -66.966 -46.763 1.00 85.22 ? 411 LMG D C34 1 ? ? +57229 HETATM C C35 . LMG GN 34 . ? 9.136 -68.047 -45.774 1.00 90.03 ? 411 LMG D C35 1 ? ? +57230 HETATM C C36 . LMG GN 34 . ? 8.085 -68.335 -44.697 1.00 93.14 ? 411 LMG D C36 1 ? ? +57231 HETATM C C37 . LMG GN 34 . ? 7.115 -69.463 -45.007 1.00 93.95 ? 411 LMG D C37 1 ? ? +57232 HETATM C C38 . LMG GN 34 . ? 7.262 -70.688 -44.119 1.00 97.31 ? 411 LMG D C38 1 ? ? +57233 HETATM C C39 . LMG GN 34 . ? 8.326 -71.683 -44.570 1.00 100.20 ? 411 LMG D C39 1 ? ? +57234 HETATM C C40 . LMG GN 34 . ? 8.341 -73.005 -43.804 1.00 102.94 ? 411 LMG D C40 1 ? ? +57235 HETATM C C41 . LMG GN 34 . ? 8.696 -74.229 -44.647 1.00 104.71 ? 411 LMG D C41 1 ? ? +57236 HETATM C C42 . LMG GN 34 . ? 9.020 -75.494 -43.856 1.00 103.96 ? 411 LMG D C42 1 ? ? +57237 HETATM C C43 . LMG GN 34 . ? 9.666 -76.602 -44.669 1.00 100.86 ? 411 LMG D C43 1 ? ? +57238 HETATM C C1 . BCR GO 30 . ? 36.063 -84.535 -65.181 1.00 69.38 ? 101 BCR Y C1 1 ? ? +57239 HETATM C C2 . BCR GO 30 . ? 36.340 -84.864 -66.651 1.00 69.76 ? 101 BCR Y C2 1 ? ? +57240 HETATM C C3 . BCR GO 30 . ? 36.129 -83.709 -67.555 1.00 69.24 ? 101 BCR Y C3 1 ? ? +57241 HETATM C C4 . BCR GO 30 . ? 37.038 -82.557 -67.161 1.00 68.74 ? 101 BCR Y C4 1 ? ? +57242 HETATM C C5 . BCR GO 30 . ? 37.233 -82.387 -65.680 1.00 68.46 ? 101 BCR Y C5 1 ? ? +57243 HETATM C C6 . BCR GO 30 . ? 36.755 -83.247 -64.752 1.00 68.63 ? 101 BCR Y C6 1 ? ? +57244 HETATM C C7 . BCR GO 30 . ? 36.843 -82.888 -63.341 1.00 68.08 ? 101 BCR Y C7 1 ? ? +57245 HETATM C C8 . BCR GO 30 . ? 36.045 -83.311 -62.312 1.00 67.83 ? 101 BCR Y C8 1 ? ? +57246 HETATM C C9 . BCR GO 30 . ? 36.124 -82.941 -60.968 1.00 67.32 ? 101 BCR Y C9 1 ? ? +57247 HETATM C C10 . BCR GO 30 . ? 34.984 -83.087 -60.175 1.00 67.20 ? 101 BCR Y C10 1 ? ? +57248 HETATM C C11 . BCR GO 30 . ? 34.762 -82.686 -58.881 1.00 66.94 ? 101 BCR Y C11 1 ? ? +57249 HETATM C C33 . BCR GO 30 . ? 37.979 -81.122 -65.349 1.00 67.97 ? 101 BCR Y C33 1 ? ? +57250 HETATM C C31 . BCR GO 30 . ? 36.583 -85.727 -64.361 1.00 70.07 ? 101 BCR Y C31 1 ? ? +57251 HETATM C C32 . BCR GO 30 . ? 34.537 -84.428 -64.995 1.00 69.00 ? 101 BCR Y C32 1 ? ? +57252 HETATM C C34 . BCR GO 30 . ? 37.356 -82.441 -60.313 1.00 67.16 ? 101 BCR Y C34 1 ? ? +57253 HETATM C C12 . BCR GO 30 . ? 33.557 -82.764 -58.235 1.00 66.74 ? 101 BCR Y C12 1 ? ? +57254 HETATM C C13 . BCR GO 30 . ? 33.218 -82.371 -56.939 1.00 66.53 ? 101 BCR Y C13 1 ? ? +57255 HETATM C C14 . BCR GO 30 . ? 31.886 -82.386 -56.524 1.00 66.48 ? 101 BCR Y C14 1 ? ? +57256 HETATM C C15 . BCR GO 30 . ? 31.343 -81.983 -55.341 1.00 66.35 ? 101 BCR Y C15 1 ? ? +57257 HETATM C C16 . BCR GO 30 . ? 30.022 -81.863 -54.996 1.00 66.39 ? 101 BCR Y C16 1 ? ? +57258 HETATM C C17 . BCR GO 30 . ? 29.499 -81.385 -53.825 1.00 66.41 ? 101 BCR Y C17 1 ? ? +57259 HETATM C C18 . BCR GO 30 . ? 28.164 -81.164 -53.452 1.00 66.60 ? 101 BCR Y C18 1 ? ? +57260 HETATM C C19 . BCR GO 30 . ? 27.861 -80.679 -52.176 1.00 66.40 ? 101 BCR Y C19 1 ? ? +57261 HETATM C C20 . BCR GO 30 . ? 26.643 -80.434 -51.610 1.00 66.22 ? 101 BCR Y C20 1 ? ? +57262 HETATM C C21 . BCR GO 30 . ? 26.453 -80.109 -50.299 1.00 66.09 ? 101 BCR Y C21 1 ? ? +57263 HETATM C C22 . BCR GO 30 . ? 25.269 -79.799 -49.625 1.00 66.22 ? 101 BCR Y C22 1 ? ? +57264 HETATM C C23 . BCR GO 30 . ? 25.342 -79.646 -48.234 1.00 66.51 ? 101 BCR Y C23 1 ? ? +57265 HETATM C C24 . BCR GO 30 . ? 24.389 -79.152 -47.407 1.00 66.17 ? 101 BCR Y C24 1 ? ? +57266 HETATM C C25 . BCR GO 30 . ? 24.410 -79.095 -45.965 1.00 66.13 ? 101 BCR Y C25 1 ? ? +57267 HETATM C C26 . BCR GO 30 . ? 25.054 -79.994 -45.186 1.00 66.64 ? 101 BCR Y C26 1 ? ? +57268 HETATM C C27 . BCR GO 30 . ? 25.364 -79.699 -43.744 1.00 66.92 ? 101 BCR Y C27 1 ? ? +57269 HETATM C C28 . BCR GO 30 . ? 25.112 -78.249 -43.344 1.00 66.30 ? 101 BCR Y C28 1 ? ? +57270 HETATM C C29 . BCR GO 30 . ? 23.802 -77.781 -43.887 1.00 65.96 ? 101 BCR Y C29 1 ? ? +57271 HETATM C C30 . BCR GO 30 . ? 23.727 -77.857 -45.413 1.00 65.87 ? 101 BCR Y C30 1 ? ? +57272 HETATM C C35 . BCR GO 30 . ? 34.281 -81.931 -55.995 1.00 66.13 ? 101 BCR Y C35 1 ? ? +57273 HETATM C C36 . BCR GO 30 . ? 27.057 -81.456 -54.413 1.00 66.67 ? 101 BCR Y C36 1 ? ? +57274 HETATM C C37 . BCR GO 30 . ? 24.015 -79.664 -50.435 1.00 65.66 ? 101 BCR Y C37 1 ? ? +57275 HETATM C C38 . BCR GO 30 . ? 25.563 -81.339 -45.628 1.00 66.77 ? 101 BCR Y C38 1 ? ? +57276 HETATM C C39 . BCR GO 30 . ? 24.417 -76.604 -45.977 1.00 65.37 ? 101 BCR Y C39 1 ? ? +57277 HETATM C C40 . BCR GO 30 . ? 22.245 -77.831 -45.828 1.00 66.03 ? 101 BCR Y C40 1 ? ? +57278 HETATM MG MG . CLA GP 33 . ? 41.239 4.360 2.830 1.00 57.71 ? 608 CLA b MG 1 ? ? +57279 HETATM C CHA . CLA GP 33 . ? 43.604 2.629 4.581 1.00 59.28 ? 608 CLA b CHA 1 ? ? +57280 HETATM C CHB . CLA GP 33 . ? 39.509 4.828 5.773 1.00 58.02 ? 608 CLA b CHB 1 ? ? +57281 HETATM C CHC . CLA GP 33 . ? 39.492 7.081 1.474 1.00 57.21 ? 608 CLA b CHC 1 ? ? +57282 HETATM C CHD . CLA GP 33 . ? 43.696 4.941 0.240 1.00 58.15 ? 608 CLA b CHD 1 ? ? +57283 HETATM N NA . CLA GP 33 . ? 41.520 3.906 4.789 1.00 58.55 ? 608 CLA b NA 1 ? ? +57284 HETATM C C1A . CLA GP 33 . ? 42.451 3.160 5.312 1.00 59.02 ? 608 CLA b C1A 1 ? ? +57285 HETATM C C2A . CLA GP 33 . ? 42.156 2.614 6.680 1.00 59.27 ? 608 CLA b C2A 1 ? ? +57286 HETATM C C3A . CLA GP 33 . ? 40.747 3.110 6.900 1.00 58.73 ? 608 CLA b C3A 1 ? ? +57287 HETATM C C4A . CLA GP 33 . ? 40.578 4.049 5.754 1.00 58.42 ? 608 CLA b C4A 1 ? ? +57288 HETATM C CMA . CLA GP 33 . ? 39.714 1.989 6.832 1.00 58.00 ? 608 CLA b CMA 1 ? ? +57289 HETATM C CAA . CLA GP 33 . ? 43.124 3.021 7.786 1.00 60.29 ? 608 CLA b CAA 1 ? ? +57290 HETATM C CBA . CLA GP 33 . ? 43.198 4.516 8.055 1.00 60.84 ? 608 CLA b CBA 1 ? ? +57291 HETATM C CGA . CLA GP 33 . ? 43.875 5.204 6.900 1.00 61.27 ? 608 CLA b CGA 1 ? ? +57292 HETATM O O1A . CLA GP 33 . ? 44.877 4.727 6.360 1.00 61.88 ? 608 CLA b O1A 1 ? ? +57293 HETATM O O2A . CLA GP 33 . ? 43.346 6.469 6.434 1.00 61.36 ? 608 CLA b O2A 1 ? ? +57294 HETATM N NB . CLA GP 33 . ? 39.832 5.724 3.511 1.00 57.65 ? 608 CLA b NB 1 ? ? +57295 HETATM C C1B . CLA GP 33 . ? 39.136 5.708 4.678 1.00 57.63 ? 608 CLA b C1B 1 ? ? +57296 HETATM C C2B . CLA GP 33 . ? 38.080 6.730 4.888 1.00 57.38 ? 608 CLA b C2B 1 ? ? +57297 HETATM C C3B . CLA GP 33 . ? 38.121 7.399 3.598 1.00 57.28 ? 608 CLA b C3B 1 ? ? +57298 HETATM C C4B . CLA GP 33 . ? 39.152 6.669 2.832 1.00 57.39 ? 608 CLA b C4B 1 ? ? +57299 HETATM C CMB . CLA GP 33 . ? 37.245 6.947 6.119 1.00 57.37 ? 608 CLA b CMB 1 ? ? +57300 HETATM C CAB . CLA GP 33 . ? 37.275 8.471 3.023 1.00 57.19 ? 608 CLA b CAB 1 ? ? +57301 HETATM C CBB . CLA GP 33 . ? 36.092 8.798 3.514 1.00 57.01 ? 608 CLA b CBB 1 ? ? +57302 HETATM N NC . CLA GP 33 . ? 41.542 5.717 1.280 1.00 57.68 ? 608 CLA b NC 1 ? ? +57303 HETATM C C1C . CLA GP 33 . ? 40.700 6.669 0.795 1.00 57.39 ? 608 CLA b C1C 1 ? ? +57304 HETATM C C2C . CLA GP 33 . ? 41.105 7.432 -0.419 1.00 57.43 ? 608 CLA b C2C 1 ? ? +57305 HETATM C C3C . CLA GP 33 . ? 42.369 6.789 -0.750 1.00 57.75 ? 608 CLA b C3C 1 ? ? +57306 HETATM C C4C . CLA GP 33 . ? 42.496 5.753 0.283 1.00 57.85 ? 608 CLA b C4C 1 ? ? +57307 HETATM C CMC . CLA GP 33 . ? 40.434 8.582 -1.146 1.00 57.11 ? 608 CLA b CMC 1 ? ? +57308 HETATM C CAC . CLA GP 33 . ? 43.270 7.064 -1.904 1.00 57.99 ? 608 CLA b CAC 1 ? ? +57309 HETATM C CBC . CLA GP 33 . ? 42.817 6.102 -2.983 1.00 57.32 ? 608 CLA b CBC 1 ? ? +57310 HETATM N ND . CLA GP 33 . ? 43.256 4.224 2.606 1.00 58.60 ? 608 CLA b ND 1 ? ? +57311 HETATM C C1D . CLA GP 33 . ? 43.975 4.065 1.336 1.00 58.51 ? 608 CLA b C1D 1 ? ? +57312 HETATM C C2D . CLA GP 33 . ? 45.111 3.090 1.379 1.00 59.13 ? 608 CLA b C2D 1 ? ? +57313 HETATM C C3D . CLA GP 33 . ? 44.886 2.535 2.722 1.00 59.31 ? 608 CLA b C3D 1 ? ? +57314 HETATM C C4D . CLA GP 33 . ? 43.802 3.123 3.248 1.00 58.92 ? 608 CLA b C4D 1 ? ? +57315 HETATM C CMD . CLA GP 33 . ? 46.224 2.639 0.461 1.00 59.28 ? 608 CLA b CMD 1 ? ? +57316 HETATM C CAD . CLA GP 33 . ? 45.422 1.520 3.666 1.00 59.68 ? 608 CLA b CAD 1 ? ? +57317 HETATM O OBD . CLA GP 33 . ? 46.387 0.728 3.452 1.00 59.87 ? 608 CLA b OBD 1 ? ? +57318 HETATM C CBD . CLA GP 33 . ? 44.595 1.537 4.906 1.00 59.79 ? 608 CLA b CBD 1 ? ? +57319 HETATM C CGD . CLA GP 33 . ? 43.999 0.185 5.152 1.00 59.49 ? 608 CLA b CGD 1 ? ? +57320 HETATM O O1D . CLA GP 33 . ? 43.049 -0.259 4.517 1.00 58.73 ? 608 CLA b O1D 1 ? ? +57321 HETATM O O2D . CLA GP 33 . ? 44.587 -0.627 6.185 1.00 60.15 ? 608 CLA b O2D 1 ? ? +57322 HETATM C CED . CLA GP 33 . ? 43.930 -1.852 6.525 1.00 59.84 ? 608 CLA b CED 1 ? ? +57323 HETATM C C1 . CLA GP 33 . ? 43.754 7.052 5.197 1.00 61.54 ? 608 CLA b C1 1 ? ? +57324 HETATM C C2 . CLA GP 33 . ? 43.870 8.540 5.422 1.00 62.32 ? 608 CLA b C2 1 ? ? +57325 HETATM C C3 . CLA GP 33 . ? 43.066 9.423 4.809 1.00 62.40 ? 608 CLA b C3 1 ? ? +57326 HETATM C C4 . CLA GP 33 . ? 42.005 8.990 3.862 1.00 61.38 ? 608 CLA b C4 1 ? ? +57327 HETATM C C5 . CLA GP 33 . ? 43.222 10.897 5.069 1.00 63.44 ? 608 CLA b C5 1 ? ? +57328 HETATM C C6 . CLA GP 33 . ? 43.903 11.557 3.870 1.00 64.06 ? 608 CLA b C6 1 ? ? +57329 HETATM C C7 . CLA GP 33 . ? 43.928 13.054 4.110 1.00 64.89 ? 608 CLA b C7 1 ? ? +57330 HETATM C C8 . CLA GP 33 . ? 44.963 13.888 3.389 1.00 65.86 ? 608 CLA b C8 1 ? ? +57331 HETATM C C9 . CLA GP 33 . ? 46.311 13.311 2.930 1.00 66.63 ? 608 CLA b C9 1 ? ? +57332 HETATM C C10 . CLA GP 33 . ? 44.480 15.317 3.021 1.00 66.14 ? 608 CLA b C10 1 ? ? +57333 HETATM C C11 . CLA GP 33 . ? 45.215 15.931 1.853 1.00 66.61 ? 608 CLA b C11 1 ? ? +57334 HETATM C C12 . CLA GP 33 . ? 44.691 17.315 1.526 1.00 66.89 ? 608 CLA b C12 1 ? ? +57335 HETATM C C13 . CLA GP 33 . ? 45.401 17.834 0.284 1.00 67.30 ? 608 CLA b C13 1 ? ? +57336 HETATM C C14 . CLA GP 33 . ? 46.851 18.180 0.567 1.00 68.27 ? 608 CLA b C14 1 ? ? +57337 HETATM C C15 . CLA GP 33 . ? 44.670 19.046 -0.269 1.00 67.38 ? 608 CLA b C15 1 ? ? +57338 HETATM C C16 . CLA GP 33 . ? 44.582 18.996 -1.794 1.00 67.12 ? 608 CLA b C16 1 ? ? +57339 HETATM C C17 . CLA GP 33 . ? 43.240 19.594 -2.211 1.00 66.50 ? 608 CLA b C17 1 ? ? +57340 HETATM C C18 . CLA GP 33 . ? 43.054 19.945 -3.682 1.00 66.21 ? 608 CLA b C18 1 ? ? +57341 HETATM C C19 . CLA GP 33 . ? 44.137 20.678 -4.460 1.00 67.02 ? 608 CLA b C19 1 ? ? +57342 HETATM C C20 . CLA GP 33 . ? 41.853 19.415 -4.447 1.00 65.58 ? 608 CLA b C20 1 ? ? +57343 HETATM MG MG . CLA GQ 33 . ? -5.349 36.145 14.863 1.00 72.02 ? 505 CLA c MG 1 ? ? +57344 HETATM C CHA . CLA GQ 33 . ? -3.682 38.364 12.856 1.00 68.66 ? 505 CLA c CHA 1 ? ? +57345 HETATM C CHB . CLA GQ 33 . ? -6.437 34.509 12.093 1.00 67.53 ? 505 CLA c CHB 1 ? ? +57346 HETATM C CHC . CLA GQ 33 . ? -5.696 33.124 16.635 1.00 67.95 ? 505 CLA c CHC 1 ? ? +57347 HETATM C CHD . CLA GQ 33 . ? -3.250 37.210 17.625 1.00 69.53 ? 505 CLA c CHD 1 ? ? +57348 HETATM N NA . CLA GQ 33 . ? -4.999 36.277 12.877 1.00 69.04 ? 505 CLA c NA 1 ? ? +57349 HETATM C C1A . CLA GQ 33 . ? -4.360 37.214 12.241 1.00 68.75 ? 505 CLA c C1A 1 ? ? +57350 HETATM C C2A . CLA GQ 33 . ? -4.463 37.184 10.748 1.00 68.34 ? 505 CLA c C2A 1 ? ? +57351 HETATM C C3A . CLA GQ 33 . ? -5.481 36.087 10.537 1.00 67.66 ? 505 CLA c C3A 1 ? ? +57352 HETATM C C4A . CLA GQ 33 . ? -5.648 35.565 11.927 1.00 67.97 ? 505 CLA c C4A 1 ? ? +57353 HETATM C CMA . CLA GQ 33 . ? -6.806 36.596 9.965 1.00 67.81 ? 505 CLA c CMA 1 ? ? +57354 HETATM C CAA . CLA GQ 33 . ? -3.109 36.974 10.076 1.00 68.35 ? 505 CLA c CAA 1 ? ? +57355 HETATM C CBA . CLA GQ 33 . ? -2.495 35.642 10.466 1.00 68.61 ? 505 CLA c CBA 1 ? ? +57356 HETATM C CGA . CLA GQ 33 . ? -1.044 35.483 10.101 1.00 69.19 ? 505 CLA c CGA 1 ? ? +57357 HETATM O O1A . CLA GQ 33 . ? -0.409 36.228 9.383 1.00 69.27 ? 505 CLA c O1A 1 ? ? +57358 HETATM O O2A . CLA GQ 33 . ? -0.400 34.327 10.650 1.00 71.38 ? 505 CLA c O2A 1 ? ? +57359 HETATM N NB . CLA GQ 33 . ? -5.886 34.196 14.452 1.00 68.16 ? 505 CLA c NB 1 ? ? +57360 HETATM C C1B . CLA GQ 33 . ? -6.442 33.716 13.313 1.00 67.31 ? 505 CLA c C1B 1 ? ? +57361 HETATM C C2B . CLA GQ 33 . ? -6.916 32.309 13.268 1.00 66.10 ? 505 CLA c C2B 1 ? ? +57362 HETATM C C3B . CLA GQ 33 . ? -6.639 31.929 14.638 1.00 66.44 ? 505 CLA c C3B 1 ? ? +57363 HETATM C C4B . CLA GQ 33 . ? -6.104 33.150 15.253 1.00 67.46 ? 505 CLA c C4B 1 ? ? +57364 HETATM C CMB . CLA GQ 33 . ? -7.506 31.544 12.115 1.00 65.39 ? 505 CLA c CMB 1 ? ? +57365 HETATM C CAB . CLA GQ 33 . ? -6.957 30.698 15.390 1.00 66.45 ? 505 CLA c CAB 1 ? ? +57366 HETATM C CBB . CLA GQ 33 . ? -7.940 29.900 15.027 1.00 66.32 ? 505 CLA c CBB 1 ? ? +57367 HETATM N NC . CLA GQ 33 . ? -4.622 35.337 16.654 1.00 69.09 ? 505 CLA c NC 1 ? ? +57368 HETATM C C1C . CLA GQ 33 . ? -4.913 34.166 17.260 1.00 68.35 ? 505 CLA c C1C 1 ? ? +57369 HETATM C C2C . CLA GQ 33 . ? -4.325 33.863 18.586 1.00 68.40 ? 505 CLA c C2C 1 ? ? +57370 HETATM C C3C . CLA GQ 33 . ? -3.612 35.087 18.885 1.00 68.91 ? 505 CLA c C3C 1 ? ? +57371 HETATM C C4C . CLA GQ 33 . ? -3.901 35.904 17.687 1.00 69.16 ? 505 CLA c C4C 1 ? ? +57372 HETATM C CMC . CLA GQ 33 . ? -4.453 32.626 19.432 1.00 68.32 ? 505 CLA c CMC 1 ? ? +57373 HETATM C CAC . CLA GQ 33 . ? -2.811 35.434 20.108 1.00 69.35 ? 505 CLA c CAC 1 ? ? +57374 HETATM C CBC . CLA GQ 33 . ? -1.340 35.188 19.864 1.00 69.14 ? 505 CLA c CBC 1 ? ? +57375 HETATM N ND . CLA GQ 33 . ? -3.625 37.213 15.121 1.00 69.66 ? 505 CLA c ND 1 ? ? +57376 HETATM C C1D . CLA GQ 33 . ? -3.204 37.908 16.362 1.00 69.60 ? 505 CLA c C1D 1 ? ? +57377 HETATM C C2D . CLA GQ 33 . ? -2.596 39.250 16.138 1.00 69.62 ? 505 CLA c C2D 1 ? ? +57378 HETATM C C3D . CLA GQ 33 . ? -2.833 39.383 14.694 1.00 69.26 ? 505 CLA c C3D 1 ? ? +57379 HETATM C C4D . CLA GQ 33 . ? -3.471 38.291 14.263 1.00 69.09 ? 505 CLA c C4D 1 ? ? +57380 HETATM C CMD . CLA GQ 33 . ? -1.939 40.301 16.986 1.00 70.20 ? 505 CLA c CMD 1 ? ? +57381 HETATM C CAD . CLA GQ 33 . ? -2.659 40.314 13.555 1.00 69.20 ? 505 CLA c CAD 1 ? ? +57382 HETATM O OBD . CLA GQ 33 . ? -2.121 41.475 13.593 1.00 69.66 ? 505 CLA c OBD 1 ? ? +57383 HETATM C CBD . CLA GQ 33 . ? -3.211 39.679 12.319 1.00 68.61 ? 505 CLA c CBD 1 ? ? +57384 HETATM C CGD . CLA GQ 33 . ? -4.264 40.570 11.737 1.00 68.56 ? 505 CLA c CGD 1 ? ? +57385 HETATM O O1D . CLA GQ 33 . ? -4.365 40.732 10.533 1.00 68.10 ? 505 CLA c O1D 1 ? ? +57386 HETATM O O2D . CLA GQ 33 . ? -5.154 41.297 12.615 1.00 69.02 ? 505 CLA c O2D 1 ? ? +57387 HETATM C CED . CLA GQ 33 . ? -6.218 42.069 12.071 1.00 69.40 ? 505 CLA c CED 1 ? ? +57388 HETATM C C1 . CLA GQ 33 . ? 0.950 33.975 10.389 1.00 73.53 ? 505 CLA c C1 1 ? ? +57389 HETATM C C2 . CLA GQ 33 . ? 0.965 32.513 10.742 1.00 75.61 ? 505 CLA c C2 1 ? ? +57390 HETATM C C3 . CLA GQ 33 . ? 1.605 32.012 11.803 1.00 79.17 ? 505 CLA c C3 1 ? ? +57391 HETATM C C4 . CLA GQ 33 . ? 2.400 32.893 12.712 1.00 79.85 ? 505 CLA c C4 1 ? ? +57392 HETATM C C5 . CLA GQ 33 . ? 1.489 30.533 12.053 1.00 82.88 ? 505 CLA c C5 1 ? ? +57393 HETATM C C6 . CLA GQ 33 . ? 2.829 29.927 12.407 1.00 86.97 ? 505 CLA c C6 1 ? ? +57394 HETATM C C7 . CLA GQ 33 . ? 2.731 28.406 12.466 1.00 90.65 ? 505 CLA c C7 1 ? ? +57395 HETATM C C8 . CLA GQ 33 . ? 2.505 27.836 13.877 1.00 94.22 ? 505 CLA c C8 1 ? ? +57396 HETATM C C9 . CLA GQ 33 . ? 2.600 28.726 15.127 1.00 94.89 ? 505 CLA c C9 1 ? ? +57397 HETATM C C10 . CLA GQ 33 . ? 1.995 26.416 13.891 1.00 95.96 ? 505 CLA c C10 1 ? ? +57398 HETATM C C11 . CLA GQ 33 . ? 1.131 25.962 15.060 1.00 98.11 ? 505 CLA c C11 1 ? ? +57399 HETATM C C12 . CLA GQ 33 . ? 1.056 24.427 15.059 1.00 99.33 ? 505 CLA c C12 1 ? ? +57400 HETATM C C13 . CLA GQ 33 . ? 0.194 23.791 16.168 1.00 100.86 ? 505 CLA c C13 1 ? ? +57401 HETATM C C14 . CLA GQ 33 . ? -0.811 24.776 16.770 1.00 100.75 ? 505 CLA c C14 1 ? ? +57402 HETATM C C15 . CLA GQ 33 . ? 1.078 23.158 17.258 1.00 103.91 ? 505 CLA c C15 1 ? ? +57403 HETATM C C16 . CLA GQ 33 . ? 1.363 21.656 17.071 1.00 104.16 ? 505 CLA c C16 1 ? ? +57404 HETATM C C17 . CLA GQ 33 . ? 2.432 21.190 18.077 1.00 102.60 ? 505 CLA c C17 1 ? ? +57405 HETATM C C18 . CLA GQ 33 . ? 2.600 19.679 18.321 1.00 99.80 ? 505 CLA c C18 1 ? ? +57406 HETATM C C19 . CLA GQ 33 . ? 1.501 18.648 18.071 1.00 98.29 ? 505 CLA c C19 1 ? ? +57407 HETATM C C20 . CLA GQ 33 . ? 4.000 19.158 18.621 1.00 100.64 ? 505 CLA c C20 1 ? ? +57408 HETATM MG MG A CLA GR 33 . ? 14.733 12.757 -4.566 0.40 47.43 ? 403 CLA d MG 1 ? ? +57409 HETATM MG MG B CLA GR 33 . ? 14.722 12.822 -4.489 0.60 47.38 ? 403 CLA d MG 1 ? ? +57410 HETATM C CHA A CLA GR 33 . ? 18.063 13.523 -3.831 0.40 48.19 ? 403 CLA d CHA 1 ? ? +57411 HETATM C CHA B CLA GR 33 . ? 18.108 13.459 -3.836 0.60 48.17 ? 403 CLA d CHA 1 ? ? +57412 HETATM C CHB A CLA GR 33 . ? 14.550 11.366 -1.426 0.40 47.79 ? 403 CLA d CHB 1 ? ? +57413 HETATM C CHB B CLA GR 33 . ? 14.545 11.375 -1.401 0.60 47.76 ? 403 CLA d CHB 1 ? ? +57414 HETATM C CHC A CLA GR 33 . ? 11.255 13.079 -4.589 0.40 47.25 ? 403 CLA d CHC 1 ? ? +57415 HETATM C CHC B CLA GR 33 . ? 11.286 13.151 -4.561 0.60 47.20 ? 403 CLA d CHC 1 ? ? +57416 HETATM C CHD A CLA GR 33 . ? 14.780 15.555 -6.907 0.40 47.69 ? 403 CLA d CHD 1 ? ? +57417 HETATM C CHD B CLA GR 33 . ? 14.865 15.576 -6.872 0.60 47.63 ? 403 CLA d CHD 1 ? ? +57418 HETATM N NA A CLA GR 33 . ? 16.002 12.433 -3.016 0.40 47.89 ? 403 CLA d NA 1 ? ? +57419 HETATM N NA B CLA GR 33 . ? 16.023 12.434 -2.980 0.60 47.88 ? 403 CLA d NA 1 ? ? +57420 HETATM C C1A A CLA GR 33 . ? 17.282 12.665 -2.941 0.40 48.15 ? 403 CLA d C1A 1 ? ? +57421 HETATM C C1A B CLA GR 33 . ? 17.316 12.621 -2.930 0.60 48.14 ? 403 CLA d C1A 1 ? ? +57422 HETATM C C2A A CLA GR 33 . ? 18.038 11.847 -1.938 0.40 48.39 ? 403 CLA d C2A 1 ? ? +57423 HETATM C C2A B CLA GR 33 . ? 18.047 11.795 -1.916 0.60 48.42 ? 403 CLA d C2A 1 ? ? +57424 HETATM C C3A A CLA GR 33 . ? 16.930 11.033 -1.343 0.40 48.11 ? 403 CLA d C3A 1 ? ? +57425 HETATM C C3A B CLA GR 33 . ? 16.918 11.001 -1.324 0.60 48.12 ? 403 CLA d C3A 1 ? ? +57426 HETATM C C4A A CLA GR 33 . ? 15.726 11.670 -1.944 0.40 47.92 ? 403 CLA d C4A 1 ? ? +57427 HETATM C C4A B CLA GR 33 . ? 15.729 11.664 -1.918 0.60 47.91 ? 403 CLA d C4A 1 ? ? +57428 HETATM C CMA A CLA GR 33 . ? 17.019 9.573 -1.776 0.40 47.72 ? 403 CLA d CMA 1 ? ? +57429 HETATM C CMA B CLA GR 33 . ? 16.970 9.537 -1.745 0.60 47.71 ? 403 CLA d CMA 1 ? ? +57430 HETATM C CAA A CLA GR 33 . ? 18.782 12.702 -0.916 0.40 49.12 ? 403 CLA d CAA 1 ? ? +57431 HETATM C CAA B CLA GR 33 . ? 18.781 12.648 -0.884 0.60 49.21 ? 403 CLA d CAA 1 ? ? +57432 HETATM C CBA A CLA GR 33 . ? 19.417 11.868 0.193 0.40 49.45 ? 403 CLA d CBA 1 ? ? +57433 HETATM C CBA B CLA GR 33 . ? 19.493 11.829 0.188 0.60 49.62 ? 403 CLA d CBA 1 ? ? +57434 HETATM C CGA A CLA GR 33 . ? 20.016 12.768 1.250 0.40 50.21 ? 403 CLA d CGA 1 ? ? +57435 HETATM C CGA B CLA GR 33 . ? 19.972 12.766 1.265 0.60 50.46 ? 403 CLA d CGA 1 ? ? +57436 HETATM O O1A A CLA GR 33 . ? 20.030 12.460 2.427 0.40 50.47 ? 403 CLA d O1A 1 ? ? +57437 HETATM O O1A B CLA GR 33 . ? 19.803 12.533 2.444 0.60 50.76 ? 403 CLA d O1A 1 ? ? +57438 HETATM O O2A A CLA GR 33 . ? 20.620 14.035 0.914 0.40 50.84 ? 403 CLA d O2A 1 ? ? +57439 HETATM O O2A B CLA GR 33 . ? 20.660 13.981 0.911 0.60 51.22 ? 403 CLA d O2A 1 ? ? +57440 HETATM N NB A CLA GR 33 . ? 13.210 12.343 -3.242 0.40 47.46 ? 403 CLA d NB 1 ? ? +57441 HETATM N NB B CLA GR 33 . ? 13.203 12.393 -3.184 0.60 47.41 ? 403 CLA d NB 1 ? ? +57442 HETATM C C1B A CLA GR 33 . ? 13.271 11.700 -2.051 0.40 47.56 ? 403 CLA d C1B 1 ? ? +57443 HETATM C C1B B CLA GR 33 . ? 13.259 11.721 -2.014 0.60 47.51 ? 403 CLA d C1B 1 ? ? +57444 HETATM C C2B A CLA GR 33 . ? 11.996 11.436 -1.336 0.40 47.49 ? 403 CLA d C2B 1 ? ? +57445 HETATM C C2B B CLA GR 33 . ? 11.981 11.434 -1.320 0.60 47.40 ? 403 CLA d C2B 1 ? ? +57446 HETATM C C3B A CLA GR 33 . ? 11.042 11.971 -2.301 0.40 47.40 ? 403 CLA d C3B 1 ? ? +57447 HETATM C C3B B CLA GR 33 . ? 11.031 11.999 -2.278 0.60 47.34 ? 403 CLA d C3B 1 ? ? +57448 HETATM C C4B A CLA GR 33 . ? 11.871 12.432 -3.432 0.40 47.35 ? 403 CLA d C4B 1 ? ? +57449 HETATM C C4B B CLA GR 33 . ? 11.871 12.484 -3.392 0.60 47.30 ? 403 CLA d C4B 1 ? ? +57450 HETATM C CMB A CLA GR 33 . ? 11.771 10.789 -0.003 0.40 47.64 ? 403 CLA d CMB 1 ? ? +57451 HETATM C CMB B CLA GR 33 . ? 11.775 10.760 0.001 0.60 47.54 ? 403 CLA d CMB 1 ? ? +57452 HETATM C CAB A CLA GR 33 . ? 9.554 12.010 -2.239 0.40 47.35 ? 403 CLA d CAB 1 ? ? +57453 HETATM C CAB B CLA GR 33 . ? 9.539 12.029 -2.279 0.60 47.29 ? 403 CLA d CAB 1 ? ? +57454 HETATM C CBB A CLA GR 33 . ? 8.916 11.455 -1.229 0.40 47.41 ? 403 CLA d CBB 1 ? ? +57455 HETATM C CBB B CLA GR 33 . ? 8.824 11.355 -1.409 0.60 47.30 ? 403 CLA d CBB 1 ? ? +57456 HETATM N NC A CLA GR 33 . ? 13.377 14.037 -5.474 0.40 47.46 ? 403 CLA d NC 1 ? ? +57457 HETATM N NC B CLA GR 33 . ? 13.419 14.108 -5.439 0.60 47.40 ? 403 CLA d NC 1 ? ? +57458 HETATM C C1C A CLA GR 33 . ? 12.014 13.943 -5.481 0.40 47.35 ? 403 CLA d C1C 1 ? ? +57459 HETATM C C1C B CLA GR 33 . ? 12.058 14.004 -5.459 0.60 47.29 ? 403 CLA d C1C 1 ? ? +57460 HETATM C C2C A CLA GR 33 . ? 11.247 14.896 -6.314 0.40 47.41 ? 403 CLA d C2C 1 ? ? +57461 HETATM C C2C B CLA GR 33 . ? 11.304 14.929 -6.326 0.60 47.32 ? 403 CLA d C2C 1 ? ? +57462 HETATM C C3C A CLA GR 33 . ? 12.317 15.605 -6.978 0.40 47.52 ? 403 CLA d C3C 1 ? ? +57463 HETATM C C3C B CLA GR 33 . ? 12.381 15.626 -6.992 0.60 47.43 ? 403 CLA d C3C 1 ? ? +57464 HETATM C C4C A CLA GR 33 . ? 13.528 14.972 -6.454 0.40 47.52 ? 403 CLA d C4C 1 ? ? +57465 HETATM C C4C B CLA GR 33 . ? 13.592 15.019 -6.435 0.60 47.45 ? 403 CLA d C4C 1 ? ? +57466 HETATM C CMC A CLA GR 33 . ? 9.763 15.066 -6.461 0.40 47.41 ? 403 CLA d CMC 1 ? ? +57467 HETATM C CMC B CLA GR 33 . ? 9.821 15.077 -6.487 0.60 47.32 ? 403 CLA d CMC 1 ? ? +57468 HETATM C CAC A CLA GR 33 . ? 12.290 16.655 -8.031 0.40 47.67 ? 403 CLA d CAC 1 ? ? +57469 HETATM C CAC B CLA GR 33 . ? 12.344 16.652 -8.069 0.60 47.55 ? 403 CLA d CAC 1 ? ? +57470 HETATM C CBC A CLA GR 33 . ? 12.724 15.848 -9.264 0.40 47.30 ? 403 CLA d CBC 1 ? ? +57471 HETATM C CBC B CLA GR 33 . ? 12.787 15.833 -9.297 0.60 47.16 ? 403 CLA d CBC 1 ? ? +57472 HETATM N ND A CLA GR 33 . ? 15.939 14.373 -4.989 0.40 47.87 ? 403 CLA d ND 1 ? ? +57473 HETATM N ND B CLA GR 33 . ? 15.998 14.372 -4.964 0.60 47.83 ? 403 CLA d ND 1 ? ? +57474 HETATM C C1D A CLA GR 33 . ? 15.994 15.167 -6.237 0.40 47.82 ? 403 CLA d C1D 1 ? ? +57475 HETATM C C1D B CLA GR 33 . ? 16.062 15.157 -6.211 0.60 47.78 ? 403 CLA d C1D 1 ? ? +57476 HETATM C C2D A CLA GR 33 . ? 17.368 15.637 -6.590 0.40 48.05 ? 403 CLA d C2D 1 ? ? +57477 HETATM C C2D B CLA GR 33 . ? 17.433 15.606 -6.576 0.60 48.01 ? 403 CLA d C2D 1 ? ? +57478 HETATM C C3D A CLA GR 33 . ? 18.150 14.920 -5.591 0.40 48.17 ? 403 CLA d C3D 1 ? ? +57479 HETATM C C3D B CLA GR 33 . ? 18.208 14.870 -5.590 0.60 48.15 ? 403 CLA d C3D 1 ? ? +57480 HETATM C C4D A CLA GR 33 . ? 17.312 14.178 -4.856 0.40 48.01 ? 403 CLA d C4D 1 ? ? +57481 HETATM C C4D B CLA GR 33 . ? 17.365 14.138 -4.851 0.60 47.97 ? 403 CLA d C4D 1 ? ? +57482 HETATM C CMD A CLA GR 33 . ? 18.001 16.521 -7.616 0.40 48.19 ? 403 CLA d CMD 1 ? ? +57483 HETATM C CMD B CLA GR 33 . ? 18.060 16.485 -7.606 0.60 48.16 ? 403 CLA d CMD 1 ? ? +57484 HETATM C CAD A CLA GR 33 . ? 19.552 14.701 -5.144 0.40 48.43 ? 403 CLA d CAD 1 ? ? +57485 HETATM C CAD B CLA GR 33 . ? 19.608 14.629 -5.160 0.60 48.40 ? 403 CLA d CAD 1 ? ? +57486 HETATM O OBD A CLA GR 33 . ? 20.612 15.201 -5.663 0.40 48.66 ? 403 CLA d OBD 1 ? ? +57487 HETATM O OBD B CLA GR 33 . ? 20.671 15.108 -5.687 0.60 48.63 ? 403 CLA d OBD 1 ? ? +57488 HETATM C CBD A CLA GR 33 . ? 19.540 13.748 -3.999 0.40 48.42 ? 403 CLA d CBD 1 ? ? +57489 HETATM C CBD B CLA GR 33 . ? 19.590 13.672 -4.023 0.60 48.40 ? 403 CLA d CBD 1 ? ? +57490 HETATM C CGD A CLA GR 33 . ? 20.292 12.533 -4.464 0.40 48.15 ? 403 CLA d CGD 1 ? ? +57491 HETATM C CGD B CLA GR 33 . ? 20.349 12.483 -4.536 0.60 48.12 ? 403 CLA d CGD 1 ? ? +57492 HETATM O O1D A CLA GR 33 . ? 19.754 11.669 -5.133 0.40 47.75 ? 403 CLA d O1D 1 ? ? +57493 HETATM O O1D B CLA GR 33 . ? 19.837 11.655 -5.272 0.60 47.71 ? 403 CLA d O1D 1 ? ? +57494 HETATM O O2D A CLA GR 33 . ? 21.699 12.338 -4.184 0.40 48.40 ? 403 CLA d O2D 1 ? ? +57495 HETATM O O2D B CLA GR 33 . ? 21.746 12.288 -4.226 0.60 48.37 ? 403 CLA d O2D 1 ? ? +57496 HETATM C CED A CLA GR 33 . ? 22.371 11.252 -4.819 0.40 48.14 ? 403 CLA d CED 1 ? ? +57497 HETATM C CED B CLA GR 33 . ? 22.421 11.180 -4.811 0.60 48.10 ? 403 CLA d CED 1 ? ? +57498 HETATM C C1 A CLA GR 33 . ? 21.177 14.761 2.011 0.40 51.64 ? 403 CLA d C1 1 ? ? +57499 HETATM C C1 B CLA GR 33 . ? 21.186 14.787 1.965 0.60 52.15 ? 403 CLA d C1 1 ? ? +57500 HETATM C C2 A CLA GR 33 . ? 22.628 15.174 1.804 0.40 52.15 ? 403 CLA d C2 1 ? ? +57501 HETATM C C2 B CLA GR 33 . ? 22.662 15.131 1.802 0.60 52.71 ? 403 CLA d C2 1 ? ? +57502 HETATM C C3 A CLA GR 33 . ? 23.635 14.423 2.273 0.40 52.52 ? 403 CLA d C3 1 ? ? +57503 HETATM C C3 B CLA GR 33 . ? 23.653 14.370 2.295 0.60 53.20 ? 403 CLA d C3 1 ? ? +57504 HETATM C C4 A CLA GR 33 . ? 23.299 13.147 2.976 0.40 52.33 ? 403 CLA d C4 1 ? ? +57505 HETATM C C4 B CLA GR 33 . ? 23.323 13.098 3.010 0.60 52.99 ? 403 CLA d C4 1 ? ? +57506 HETATM C C5 A CLA GR 33 . ? 25.084 14.839 2.064 0.40 53.14 ? 403 CLA d C5 1 ? ? +57507 HETATM C C5 B CLA GR 33 . ? 25.108 14.783 2.087 0.60 53.95 ? 403 CLA d C5 1 ? ? +57508 HETATM C C6 A CLA GR 33 . ? 25.936 14.737 3.332 0.40 53.84 ? 403 CLA d C6 1 ? ? +57509 HETATM C C6 B CLA GR 33 . ? 25.992 14.774 3.341 0.60 54.81 ? 403 CLA d C6 1 ? ? +57510 HETATM C C7 A CLA GR 33 . ? 25.431 15.789 4.295 0.40 54.44 ? 403 CLA d C7 1 ? ? +57511 HETATM C C7 B CLA GR 33 . ? 25.311 15.542 4.454 0.60 55.47 ? 403 CLA d C7 1 ? ? +57512 HETATM C C8 A CLA GR 33 . ? 26.008 15.871 5.699 0.40 55.17 ? 403 CLA d C8 1 ? ? +57513 HETATM C C8 B CLA GR 33 . ? 26.045 15.815 5.755 0.60 56.36 ? 403 CLA d C8 1 ? ? +57514 HETATM C C9 A CLA GR 33 . ? 26.786 14.769 6.376 0.40 55.26 ? 403 CLA d C9 1 ? ? +57515 HETATM C C9 B CLA GR 33 . ? 26.942 14.793 6.398 0.60 56.48 ? 403 CLA d C9 1 ? ? +57516 HETATM C C10 A CLA GR 33 . ? 25.653 17.057 6.461 0.40 55.84 ? 403 CLA d C10 1 ? ? +57517 HETATM C C10 B CLA GR 33 . ? 25.698 17.050 6.443 0.60 57.23 ? 403 CLA d C10 1 ? ? +57518 HETATM C C11 A CLA GR 33 . ? 26.570 17.565 7.561 0.40 56.77 ? 403 CLA d C11 1 ? ? +57519 HETATM C C11 B CLA GR 33 . ? 26.613 17.609 7.520 0.60 58.41 ? 403 CLA d C11 1 ? ? +57520 HETATM C C12 A CLA GR 33 . ? 25.869 18.804 8.117 0.40 57.32 ? 403 CLA d C12 1 ? ? +57521 HETATM C C12 B CLA GR 33 . ? 25.854 18.761 8.169 0.60 59.24 ? 403 CLA d C12 1 ? ? +57522 HETATM C C13 A CLA GR 33 . ? 26.703 19.567 9.130 0.40 58.33 ? 403 CLA d C13 1 ? ? +57523 HETATM C C13 B CLA GR 33 . ? 26.689 19.555 9.154 0.60 60.56 ? 403 CLA d C13 1 ? ? +57524 HETATM C C14 A CLA GR 33 . ? 26.542 19.034 10.545 0.40 58.65 ? 403 CLA d C14 1 ? ? +57525 HETATM C C14 B CLA GR 33 . ? 26.500 19.082 10.586 0.60 61.07 ? 403 CLA d C14 1 ? ? +57526 HETATM C C15 A CLA GR 33 . ? 26.339 21.046 9.055 0.40 58.87 ? 403 CLA d C15 1 ? ? +57527 HETATM C C15 B CLA GR 33 . ? 26.350 21.034 9.029 0.60 61.32 ? 403 CLA d C15 1 ? ? +57528 HETATM C C16 A CLA GR 33 . ? 24.967 21.479 9.583 0.40 58.98 ? 403 CLA d C16 1 ? ? +57529 HETATM C C16 B CLA GR 33 . ? 24.972 21.499 9.524 0.60 61.60 ? 403 CLA d C16 1 ? ? +57530 HETATM C C17 A CLA GR 33 . ? 24.862 22.917 9.071 0.40 59.46 ? 403 CLA d C17 1 ? ? +57531 HETATM C C17 B CLA GR 33 . ? 24.847 22.920 8.965 0.60 62.33 ? 403 CLA d C17 1 ? ? +57532 HETATM C C18 A CLA GR 33 . ? 23.576 23.739 9.202 0.40 59.68 ? 403 CLA d C18 1 ? ? +57533 HETATM C C18 B CLA GR 33 . ? 23.601 23.785 9.178 0.60 62.92 ? 403 CLA d C18 1 ? ? +57534 HETATM C C19 A CLA GR 33 . ? 22.176 23.184 8.957 0.40 59.21 ? 403 CLA d C19 1 ? ? +57535 HETATM C C19 B CLA GR 33 . ? 22.185 23.279 8.937 0.60 62.65 ? 403 CLA d C19 1 ? ? +57536 HETATM C C20 A CLA GR 33 . ? 23.716 25.140 9.781 0.40 60.43 ? 403 CLA d C20 1 ? ? +57537 HETATM C C20 B CLA GR 33 . ? 23.803 25.162 9.798 0.60 63.78 ? 403 CLA d C20 1 ? ? +57538 HETATM CA CA . CA GS 31 . ? -46.127 14.356 -38.976 1.00 88.42 2 301 CA o CA 1 ? ? +57539 HETATM C C1 . BCR GT 30 . ? 51.790 -36.311 -28.107 1.00 54.61 ? 409 BCR A C1 1 ? ? +57540 HETATM C C2 . BCR GT 30 . ? 52.977 -37.219 -27.808 1.00 55.39 ? 409 BCR A C2 1 ? ? +57541 HETATM C C3 . BCR GT 30 . ? 54.105 -37.030 -28.762 1.00 55.90 ? 409 BCR A C3 1 ? ? +57542 HETATM C C4 . BCR GT 30 . ? 54.630 -35.604 -28.724 1.00 55.89 ? 409 BCR A C4 1 ? ? +57543 HETATM C C5 . BCR GT 30 . ? 53.542 -34.578 -28.776 1.00 54.98 ? 409 BCR A C5 1 ? ? +57544 HETATM C C6 . BCR GT 30 . ? 52.249 -34.929 -28.551 1.00 54.41 ? 409 BCR A C6 1 ? ? +57545 HETATM C C7 . BCR GT 30 . ? 51.141 -34.016 -28.688 1.00 53.40 ? 409 BCR A C7 1 ? ? +57546 HETATM C C8 . BCR GT 30 . ? 51.001 -33.048 -29.608 1.00 53.00 ? 409 BCR A C8 1 ? ? +57547 HETATM C C9 . BCR GT 30 . ? 49.917 -32.216 -29.758 1.00 52.26 ? 409 BCR A C9 1 ? ? +57548 HETATM C C10 . BCR GT 30 . ? 49.731 -31.587 -30.991 1.00 51.88 ? 409 BCR A C10 1 ? ? +57549 HETATM C C11 . BCR GT 30 . ? 48.742 -30.715 -31.344 1.00 51.17 ? 409 BCR A C11 1 ? ? +57550 HETATM C C33 . BCR GT 30 . ? 54.058 -33.208 -29.129 1.00 54.79 ? 409 BCR A C33 1 ? ? +57551 HETATM C C31 . BCR GT 30 . ? 50.859 -36.241 -26.880 1.00 54.33 ? 409 BCR A C31 1 ? ? +57552 HETATM C C32 . BCR GT 30 . ? 51.000 -36.972 -29.244 1.00 54.34 ? 409 BCR A C32 1 ? ? +57553 HETATM C C34 . BCR GT 30 . ? 48.914 -31.953 -28.679 1.00 51.81 ? 409 BCR A C34 1 ? ? +57554 HETATM C C12 . BCR GT 30 . ? 48.435 -30.213 -32.584 1.00 50.77 ? 409 BCR A C12 1 ? ? +57555 HETATM C C13 . BCR GT 30 . ? 47.461 -29.252 -32.917 1.00 50.03 ? 409 BCR A C13 1 ? ? +57556 HETATM C C14 . BCR GT 30 . ? 47.184 -28.925 -34.239 1.00 49.68 ? 409 BCR A C14 1 ? ? +57557 HETATM C C15 . BCR GT 30 . ? 46.307 -28.008 -34.751 1.00 49.09 ? 409 BCR A C15 1 ? ? +57558 HETATM C C16 . BCR GT 30 . ? 46.078 -27.705 -36.073 1.00 48.83 ? 409 BCR A C16 1 ? ? +57559 HETATM C C17 . BCR GT 30 . ? 45.175 -26.839 -36.626 1.00 48.26 ? 409 BCR A C17 1 ? ? +57560 HETATM C C18 . BCR GT 30 . ? 44.951 -26.531 -37.967 1.00 48.08 ? 409 BCR A C18 1 ? ? +57561 HETATM C C19 . BCR GT 30 . ? 43.998 -25.578 -38.323 1.00 47.67 ? 409 BCR A C19 1 ? ? +57562 HETATM C C20 . BCR GT 30 . ? 43.773 -24.965 -39.529 1.00 47.62 ? 409 BCR A C20 1 ? ? +57563 HETATM C C21 . BCR GT 30 . ? 42.658 -24.197 -39.821 1.00 47.14 ? 409 BCR A C21 1 ? ? +57564 HETATM C C22 . BCR GT 30 . ? 42.444 -23.325 -40.894 1.00 47.05 ? 409 BCR A C22 1 ? ? +57565 HETATM C C23 . BCR GT 30 . ? 41.233 -22.629 -41.012 1.00 46.56 ? 409 BCR A C23 1 ? ? +57566 HETATM C C24 . BCR GT 30 . ? 41.114 -21.508 -41.759 1.00 46.64 ? 409 BCR A C24 1 ? ? +57567 HETATM C C25 . BCR GT 30 . ? 39.973 -20.693 -41.965 1.00 46.28 ? 409 BCR A C25 1 ? ? +57568 HETATM C C26 . BCR GT 30 . ? 38.724 -21.188 -42.052 1.00 45.83 ? 409 BCR A C26 1 ? ? +57569 HETATM C C27 . BCR GT 30 . ? 37.521 -20.283 -42.091 1.00 45.50 ? 409 BCR A C27 1 ? ? +57570 HETATM C C28 . BCR GT 30 . ? 37.797 -18.849 -41.651 1.00 45.66 ? 409 BCR A C28 1 ? ? +57571 HETATM C C29 . BCR GT 30 . ? 39.079 -18.332 -42.223 1.00 46.23 ? 409 BCR A C29 1 ? ? +57572 HETATM C C30 . BCR GT 30 . ? 40.279 -19.210 -41.874 1.00 46.59 ? 409 BCR A C30 1 ? ? +57573 HETATM C C35 . BCR GT 30 . ? 46.762 -28.530 -31.833 1.00 49.65 ? 409 BCR A C35 1 ? ? +57574 HETATM C C36 . BCR GT 30 . ? 45.674 -27.275 -39.024 1.00 48.36 ? 409 BCR A C36 1 ? ? +57575 HETATM C C37 . BCR GT 30 . ? 43.558 -23.160 -41.879 1.00 47.41 ? 409 BCR A C37 1 ? ? +57576 HETATM C C38 . BCR GT 30 . ? 38.380 -22.652 -42.129 1.00 45.59 ? 409 BCR A C38 1 ? ? +57577 HETATM C C39 . BCR GT 30 . ? 40.680 -18.876 -40.430 1.00 46.71 ? 409 BCR A C39 1 ? ? +57578 HETATM C C40 . BCR GT 30 . ? 41.437 -18.829 -42.809 1.00 47.22 ? 409 BCR A C40 1 ? ? +57579 HETATM MG MG . CLA GU 33 . ? -15.278 -39.251 -5.056 1.00 53.82 ? 615 CLA B MG 1 ? ? +57580 HETATM C CHA . CLA GU 33 . ? -12.643 -37.297 -6.306 1.00 52.44 ? 615 CLA B CHA 1 ? ? +57581 HETATM C CHB . CLA GU 33 . ? -17.421 -36.750 -5.895 1.00 54.00 ? 615 CLA B CHB 1 ? ? +57582 HETATM C CHC . CLA GU 33 . ? -17.567 -40.240 -2.531 1.00 55.67 ? 615 CLA B CHC 1 ? ? +57583 HETATM C CHD . CLA GU 33 . ? -12.782 -41.093 -3.167 1.00 53.98 ? 615 CLA B CHD 1 ? ? +57584 HETATM N NA . CLA GU 33 . ? -15.077 -37.429 -5.942 1.00 53.36 ? 615 CLA B NA 1 ? ? +57585 HETATM C C1A . CLA GU 33 . ? -14.034 -36.880 -6.499 1.00 52.85 ? 615 CLA B C1A 1 ? ? +57586 HETATM C C2A . CLA GU 33 . ? -14.303 -35.651 -7.335 1.00 52.78 ? 615 CLA B C2A 1 ? ? +57587 HETATM C C3A . CLA GU 33 . ? -15.813 -35.513 -7.217 1.00 53.07 ? 615 CLA B C3A 1 ? ? +57588 HETATM C C4A . CLA GU 33 . ? -16.144 -36.632 -6.274 1.00 53.57 ? 615 CLA B C4A 1 ? ? +57589 HETATM C CMA . CLA GU 33 . ? -16.183 -34.123 -6.715 1.00 52.96 ? 615 CLA B CMA 1 ? ? +57590 HETATM C CAA . CLA GU 33 . ? -13.791 -35.757 -8.781 1.00 52.84 ? 615 CLA B CAA 1 ? ? +57591 HETATM C CBA . CLA GU 33 . ? -14.332 -34.768 -9.824 1.00 53.11 ? 615 CLA B CBA 1 ? ? +57592 HETATM C CGA . CLA GU 33 . ? -13.821 -33.378 -9.627 1.00 53.38 ? 615 CLA B CGA 1 ? ? +57593 HETATM O O1A . CLA GU 33 . ? -12.849 -33.133 -8.920 1.00 53.42 ? 615 CLA B O1A 1 ? ? +57594 HETATM O O2A . CLA GU 33 . ? -14.514 -32.331 -10.325 1.00 54.59 ? 615 CLA B O2A 1 ? ? +57595 HETATM N NB . CLA GU 33 . ? -17.123 -38.599 -4.298 1.00 54.64 ? 615 CLA B NB 1 ? ? +57596 HETATM C C1B . CLA GU 33 . ? -17.902 -37.635 -4.846 1.00 54.61 ? 615 CLA B C1B 1 ? ? +57597 HETATM C C2B . CLA GU 33 . ? -19.225 -37.362 -4.219 1.00 55.30 ? 615 CLA B C2B 1 ? ? +57598 HETATM C C3B . CLA GU 33 . ? -19.268 -38.401 -3.211 1.00 55.84 ? 615 CLA B C3B 1 ? ? +57599 HETATM C C4B . CLA GU 33 . ? -17.971 -39.136 -3.384 1.00 55.34 ? 615 CLA B C4B 1 ? ? +57600 HETATM C CMB . CLA GU 33 . ? -20.283 -36.335 -4.541 1.00 55.41 ? 615 CLA B CMB 1 ? ? +57601 HETATM C CAB . CLA GU 33 . ? -20.472 -38.559 -2.338 1.00 56.72 ? 615 CLA B CAB 1 ? ? +57602 HETATM C CBB . CLA GU 33 . ? -20.660 -39.531 -1.474 1.00 57.37 ? 615 CLA B CBB 1 ? ? +57603 HETATM N NC . CLA GU 33 . ? -15.178 -40.336 -3.265 1.00 54.52 ? 615 CLA B NC 1 ? ? +57604 HETATM C C1C . CLA GU 33 . ? -16.194 -40.728 -2.438 1.00 55.29 ? 615 CLA B C1C 1 ? ? +57605 HETATM C C2C . CLA GU 33 . ? -15.833 -41.592 -1.280 1.00 55.72 ? 615 CLA B C2C 1 ? ? +57606 HETATM C C3C . CLA GU 33 . ? -14.420 -41.840 -1.483 1.00 55.13 ? 615 CLA B C3C 1 ? ? +57607 HETATM C C4C . CLA GU 33 . ? -14.170 -41.101 -2.724 1.00 54.51 ? 615 CLA B C4C 1 ? ? +57608 HETATM C CMC . CLA GU 33 . ? -16.678 -42.133 -0.164 1.00 56.59 ? 615 CLA B CMC 1 ? ? +57609 HETATM C CAC . CLA GU 33 . ? -13.494 -42.684 -0.645 1.00 55.30 ? 615 CLA B CAC 1 ? ? +57610 HETATM C CBC . CLA GU 33 . ? -12.990 -41.917 0.554 1.00 55.29 ? 615 CLA B CBC 1 ? ? +57611 HETATM N ND . CLA GU 33 . ? -13.210 -39.263 -4.833 1.00 53.23 ? 615 CLA B ND 1 ? ? +57612 HETATM C C1D . CLA GU 33 . ? -12.317 -40.037 -3.999 1.00 53.32 ? 615 CLA B C1D 1 ? ? +57613 HETATM C C2D . CLA GU 33 . ? -10.894 -39.760 -4.348 1.00 52.84 ? 615 CLA B C2D 1 ? ? +57614 HETATM C C3D . CLA GU 33 . ? -11.076 -38.618 -5.284 1.00 52.40 ? 615 CLA B C3D 1 ? ? +57615 HETATM C C4D . CLA GU 33 . ? -12.394 -38.305 -5.337 1.00 52.70 ? 615 CLA B C4D 1 ? ? +57616 HETATM C CMD . CLA GU 33 . ? -9.560 -40.313 -3.938 1.00 52.65 ? 615 CLA B CMD 1 ? ? +57617 HETATM C CAD . CLA GU 33 . ? -10.327 -37.620 -6.085 1.00 51.77 ? 615 CLA B CAD 1 ? ? +57618 HETATM O OBD . CLA GU 33 . ? -9.066 -37.493 -6.268 1.00 51.30 ? 615 CLA B OBD 1 ? ? +57619 HETATM C CBD . CLA GU 33 . ? -11.322 -36.754 -6.779 1.00 51.80 ? 615 CLA B CBD 1 ? ? +57620 HETATM C CGD . CLA GU 33 . ? -10.987 -35.341 -6.461 1.00 51.54 ? 615 CLA B CGD 1 ? ? +57621 HETATM O O1D . CLA GU 33 . ? -11.240 -34.788 -5.410 1.00 51.84 ? 615 CLA B O1D 1 ? ? +57622 HETATM O O2D . CLA GU 33 . ? -10.282 -34.623 -7.466 1.00 51.08 ? 615 CLA B O2D 1 ? ? +57623 HETATM C CED . CLA GU 33 . ? -9.939 -33.273 -7.175 1.00 50.91 ? 615 CLA B CED 1 ? ? +57624 HETATM C C1 . CLA GU 33 . ? -14.132 -30.969 -10.253 1.00 55.88 ? 615 CLA B C1 1 ? ? +57625 HETATM C C2 . CLA GU 33 . ? -14.663 -30.305 -9.006 1.00 58.02 ? 615 CLA B C2 1 ? ? +57626 HETATM C C3 . CLA GU 33 . ? -15.510 -29.262 -9.036 1.00 61.10 ? 615 CLA B C3 1 ? ? +57627 HETATM C C4 . CLA GU 33 . ? -16.012 -28.674 -10.328 1.00 60.45 ? 615 CLA B C4 1 ? ? +57628 HETATM C C5 . CLA GU 33 . ? -15.957 -28.663 -7.727 1.00 64.96 ? 615 CLA B C5 1 ? ? +57629 HETATM C C6 . CLA GU 33 . ? -17.109 -29.450 -7.159 1.00 69.75 ? 615 CLA B C6 1 ? ? +57630 HETATM C C7 . CLA GU 33 . ? -17.740 -28.642 -6.029 1.00 74.84 ? 615 CLA B C7 1 ? ? +57631 HETATM C C8 . CLA GU 33 . ? -17.902 -29.394 -4.709 1.00 79.97 ? 615 CLA B C8 1 ? ? +57632 HETATM C C9 . CLA GU 33 . ? -18.019 -30.931 -4.660 1.00 82.18 ? 615 CLA B C9 1 ? ? +57633 HETATM C C10 . CLA GU 33 . ? -17.803 -28.670 -3.386 1.00 80.71 ? 615 CLA B C10 1 ? ? +57634 HETATM C C11 . CLA GU 33 . ? -17.058 -29.341 -2.247 1.00 80.17 ? 615 CLA B C11 1 ? ? +57635 HETATM C C12 . CLA GU 33 . ? -17.894 -29.180 -0.976 1.00 80.45 ? 615 CLA B C12 1 ? ? +57636 HETATM C C13 . CLA GU 33 . ? -17.831 -30.386 -0.069 1.00 79.38 ? 615 CLA B C13 1 ? ? +57637 HETATM C C14 . CLA GU 33 . ? -18.303 -29.949 1.311 1.00 80.70 ? 615 CLA B C14 1 ? ? +57638 HETATM C C15 . CLA GU 33 . ? -16.426 -31.010 -0.057 1.00 77.60 ? 615 CLA B C15 1 ? ? +57639 HETATM C C16 . CLA GU 33 . ? -16.468 -32.533 0.044 1.00 77.84 ? 615 CLA B C16 1 ? ? +57640 HETATM C C17 . CLA GU 33 . ? -17.300 -33.075 -1.114 1.00 78.04 ? 615 CLA B C17 1 ? ? +57641 HETATM C C18 . CLA GU 33 . ? -17.382 -34.574 -1.370 1.00 77.81 ? 615 CLA B C18 1 ? ? +57642 HETATM C C19 . CLA GU 33 . ? -16.595 -35.194 -2.498 1.00 76.37 ? 615 CLA B C19 1 ? ? +57643 HETATM C C20 . CLA GU 33 . ? -18.198 -35.449 -0.434 1.00 79.87 ? 615 CLA B C20 1 ? ? +57644 HETATM MG MG . CLA GV 33 . ? 48.261 -70.982 -46.262 1.00 62.63 ? 510 CLA C MG 1 ? ? +57645 HETATM C CHA . CLA GV 33 . ? 49.590 -68.231 -47.875 1.00 62.18 ? 510 CLA C CHA 1 ? ? +57646 HETATM C CHB . CLA GV 33 . ? 46.132 -71.536 -48.714 1.00 62.14 ? 510 CLA C CHB 1 ? ? +57647 HETATM C CHC . CLA GV 33 . ? 46.309 -72.955 -44.070 1.00 62.70 ? 510 CLA C CHC 1 ? ? +57648 HETATM C CHD . CLA GV 33 . ? 50.175 -70.083 -43.300 1.00 63.16 ? 510 CLA C CHD 1 ? ? +57649 HETATM N NA . CLA GV 33 . ? 47.755 -69.919 -47.888 1.00 62.08 ? 510 CLA C NA 1 ? ? +57650 HETATM C C1A . CLA GV 33 . ? 48.429 -68.964 -48.464 1.00 62.09 ? 510 CLA C C1A 1 ? ? +57651 HETATM C C2A . CLA GV 33 . ? 48.029 -68.702 -49.893 1.00 62.04 ? 510 CLA C C2A 1 ? ? +57652 HETATM C C3A . CLA GV 33 . ? 46.844 -69.628 -50.065 1.00 61.71 ? 510 CLA C C3A 1 ? ? +57653 HETATM C C4A . CLA GV 33 . ? 46.866 -70.400 -48.782 1.00 61.96 ? 510 CLA C C4A 1 ? ? +57654 HETATM C CMA . CLA GV 33 . ? 45.531 -68.898 -50.297 1.00 60.83 ? 510 CLA C CMA 1 ? ? +57655 HETATM C CAA . CLA GV 33 . ? 49.153 -68.998 -50.905 1.00 63.12 ? 510 CLA C CAA 1 ? ? +57656 HETATM C CBA . CLA GV 33 . ? 48.723 -68.850 -52.373 1.00 63.49 ? 510 CLA C CBA 1 ? ? +57657 HETATM C CGA . CLA GV 33 . ? 48.601 -67.412 -52.806 1.00 63.63 ? 510 CLA C CGA 1 ? ? +57658 HETATM O O1A . CLA GV 33 . ? 48.718 -66.483 -52.020 1.00 63.58 ? 510 CLA C O1A 1 ? ? +57659 HETATM O O2A . CLA GV 33 . ? 48.331 -67.087 -54.194 1.00 64.39 ? 510 CLA C O2A 1 ? ? +57660 HETATM N NB . CLA GV 33 . ? 46.487 -72.003 -46.318 1.00 62.45 ? 510 CLA C NB 1 ? ? +57661 HETATM C C1B . CLA GV 33 . ? 45.823 -72.261 -47.469 1.00 62.25 ? 510 CLA C C1B 1 ? ? +57662 HETATM C C2B . CLA GV 33 . ? 44.655 -73.158 -47.375 1.00 62.12 ? 510 CLA C C2B 1 ? ? +57663 HETATM C C3B . CLA GV 33 . ? 44.729 -73.544 -45.970 1.00 62.37 ? 510 CLA C C3B 1 ? ? +57664 HETATM C C4B . CLA GV 33 . ? 45.904 -72.844 -45.456 1.00 62.53 ? 510 CLA C C4B 1 ? ? +57665 HETATM C CMB . CLA GV 33 . ? 43.723 -73.544 -48.479 1.00 62.05 ? 510 CLA C CMB 1 ? ? +57666 HETATM C CAB . CLA GV 33 . ? 43.932 -74.495 -45.170 1.00 62.70 ? 510 CLA C CAB 1 ? ? +57667 HETATM C CBB . CLA GV 33 . ? 43.165 -75.402 -45.738 1.00 62.91 ? 510 CLA C CBB 1 ? ? +57668 HETATM N NC . CLA GV 33 . ? 48.195 -71.344 -44.204 1.00 62.66 ? 510 CLA C NC 1 ? ? +57669 HETATM C C1C . CLA GV 33 . ? 47.418 -72.212 -43.504 1.00 62.78 ? 510 CLA C C1C 1 ? ? +57670 HETATM C C2C . CLA GV 33 . ? 47.649 -72.382 -42.043 1.00 63.01 ? 510 CLA C C2C 1 ? ? +57671 HETATM C C3C . CLA GV 33 . ? 48.795 -71.533 -41.824 1.00 63.08 ? 510 CLA C C3C 1 ? ? +57672 HETATM C C4C . CLA GV 33 . ? 49.067 -71.026 -43.189 1.00 62.98 ? 510 CLA C C4C 1 ? ? +57673 HETATM C CMC . CLA GV 33 . ? 46.916 -73.217 -41.016 1.00 63.12 ? 510 CLA C CMC 1 ? ? +57674 HETATM C CAC . CLA GV 33 . ? 49.524 -71.309 -40.521 1.00 63.40 ? 510 CLA C CAC 1 ? ? +57675 HETATM C CBC . CLA GV 33 . ? 48.813 -70.327 -39.622 1.00 62.72 ? 510 CLA C CBC 1 ? ? +57676 HETATM N ND . CLA GV 33 . ? 49.603 -69.535 -45.697 1.00 62.63 ? 510 CLA C ND 1 ? ? +57677 HETATM C C1D . CLA GV 33 . ? 50.309 -69.249 -44.470 1.00 62.85 ? 510 CLA C C1D 1 ? ? +57678 HETATM C C2D . CLA GV 33 . ? 51.357 -68.214 -44.732 1.00 62.79 ? 510 CLA C C2D 1 ? ? +57679 HETATM C C3D . CLA GV 33 . ? 51.021 -67.811 -46.116 1.00 62.49 ? 510 CLA C C3D 1 ? ? +57680 HETATM C C4D . CLA GV 33 . ? 49.916 -68.479 -46.501 1.00 62.32 ? 510 CLA C C4D 1 ? ? +57681 HETATM C CMD . CLA GV 33 . ? 52.462 -67.613 -43.926 1.00 63.11 ? 510 CLA C CMD 1 ? ? +57682 HETATM C CAD . CLA GV 33 . ? 51.405 -66.865 -47.198 1.00 62.40 ? 510 CLA C CAD 1 ? ? +57683 HETATM O OBD . CLA GV 33 . ? 52.350 -65.977 -47.166 1.00 62.45 ? 510 CLA C OBD 1 ? ? +57684 HETATM C CBD . CLA GV 33 . ? 50.474 -67.111 -48.357 1.00 62.11 ? 510 CLA C CBD 1 ? ? +57685 HETATM C CGD . CLA GV 33 . ? 49.649 -65.903 -48.582 1.00 61.13 ? 510 CLA C CGD 1 ? ? +57686 HETATM O O1D . CLA GV 33 . ? 49.843 -65.027 -49.404 1.00 60.81 ? 510 CLA C O1D 1 ? ? +57687 HETATM O O2D . CLA GV 33 . ? 48.543 -65.793 -47.714 1.00 60.71 ? 510 CLA C O2D 1 ? ? +57688 HETATM C CED . CLA GV 33 . ? 47.949 -64.514 -47.610 1.00 60.17 ? 510 CLA C CED 1 ? ? +57689 HETATM C C1 . CLA GV 33 . ? 48.470 -65.719 -54.594 1.00 64.67 ? 510 CLA C C1 1 ? ? +57690 HETATM C C2 . CLA GV 33 . ? 49.923 -65.273 -54.572 1.00 65.67 ? 510 CLA C C2 1 ? ? +57691 HETATM C C3 . CLA GV 33 . ? 50.724 -65.604 -55.586 1.00 67.01 ? 510 CLA C C3 1 ? ? +57692 HETATM C C4 . CLA GV 33 . ? 50.207 -66.416 -56.741 1.00 67.28 ? 510 CLA C C4 1 ? ? +57693 HETATM C C5 . CLA GV 33 . ? 52.159 -65.160 -55.620 1.00 68.17 ? 510 CLA C C5 1 ? ? +57694 HETATM C C6 . CLA GV 33 . ? 53.073 -66.332 -55.321 1.00 69.47 ? 510 CLA C C6 1 ? ? +57695 HETATM C C7 . CLA GV 33 . ? 53.399 -66.375 -53.838 1.00 70.09 ? 510 CLA C C7 1 ? ? +57696 HETATM C C8 . CLA GV 33 . ? 53.881 -67.788 -53.664 1.00 71.16 ? 510 CLA C C8 1 ? ? +57697 HETATM C C9 . CLA GV 33 . ? 55.344 -68.065 -54.014 1.00 72.52 ? 510 CLA C C9 1 ? ? +57698 HETATM C C10 . CLA GV 33 . ? 52.921 -68.792 -53.026 1.00 71.66 ? 510 CLA C C10 1 ? ? +57699 HETATM C C11 . CLA GV 33 . ? 53.527 -69.737 -51.998 1.00 72.85 ? 510 CLA C C11 1 ? ? +57700 HETATM C C12 . CLA GV 33 . ? 53.520 -69.164 -50.586 1.00 73.04 ? 510 CLA C C12 1 ? ? +57701 HETATM C C13 . CLA GV 33 . ? 53.516 -70.321 -49.600 1.00 73.90 ? 510 CLA C C13 1 ? ? +57702 HETATM C C14 . CLA GV 33 . ? 52.122 -70.926 -49.462 1.00 73.50 ? 510 CLA C C14 1 ? ? +57703 HETATM C C15 . CLA GV 33 . ? 54.037 -69.886 -48.238 1.00 74.50 ? 510 CLA C C15 1 ? ? +57704 HETATM C C16 . CLA GV 33 . ? 54.346 -71.156 -47.466 1.00 75.73 ? 510 CLA C C16 1 ? ? +57705 HETATM C C17 . CLA GV 33 . ? 55.303 -70.944 -46.310 1.00 76.52 ? 510 CLA C C17 1 ? ? +57706 HETATM C C18 . CLA GV 33 . ? 55.274 -72.112 -45.324 1.00 77.20 ? 510 CLA C C18 1 ? ? +57707 HETATM C C19 . CLA GV 33 . ? 54.172 -73.189 -45.353 1.00 77.19 ? 510 CLA C C19 1 ? ? +57708 HETATM C C20 . CLA GV 33 . ? 56.532 -72.336 -44.493 1.00 77.94 ? 510 CLA C C20 1 ? ? +57709 HETATM C C1 . GOL GW 38 . ? 7.264 -28.256 -59.596 1.00 66.07 ? 412 GOL D C1 1 ? ? +57710 HETATM O O1 . GOL GW 38 . ? 7.194 -27.313 -58.528 1.00 66.58 ? 412 GOL D O1 1 ? ? +57711 HETATM C C2 . GOL GW 38 . ? 6.794 -29.636 -59.174 1.00 64.76 ? 412 GOL D C2 1 ? ? +57712 HETATM O O2 . GOL GW 38 . ? 7.820 -30.259 -58.408 1.00 63.48 ? 412 GOL D O2 1 ? ? +57713 HETATM C C3 . GOL GW 38 . ? 5.500 -29.652 -58.377 1.00 64.02 ? 412 GOL D C3 1 ? ? +57714 HETATM O O3 . GOL GW 38 . ? 5.518 -30.614 -57.319 1.00 61.59 ? 412 GOL D O3 1 ? ? +57715 HETATM FE FE A FE2 GX 44 . ? 16.215 -1.029 18.960 0.40 53.75 ? 401 FE2 a FE 1 ? ? +57716 HETATM FE FE B FE2 GX 44 . ? 16.249 -1.117 18.934 0.60 54.17 ? 401 FE2 a FE 1 ? ? +57717 HETATM MG MG . CLA GY 33 . ? 57.237 1.196 -0.992 1.00 63.51 ? 609 CLA b MG 1 ? ? +57718 HETATM C CHA . CLA GY 33 . ? 57.022 1.219 2.475 1.00 64.41 ? 609 CLA b CHA 1 ? ? +57719 HETATM C CHB . CLA GY 33 . ? 53.912 0.322 -0.984 1.00 61.28 ? 609 CLA b CHB 1 ? ? +57720 HETATM C CHC . CLA GY 33 . ? 56.776 2.532 -4.245 1.00 62.55 ? 609 CLA b CHC 1 ? ? +57721 HETATM C CHD . CLA GY 33 . ? 60.001 3.508 -0.696 1.00 65.78 ? 609 CLA b CHD 1 ? ? +57722 HETATM N NA . CLA GY 33 . ? 55.778 0.806 0.397 1.00 62.94 ? 609 CLA b NA 1 ? ? +57723 HETATM C C1A . CLA GY 33 . ? 55.891 0.714 1.693 1.00 63.44 ? 609 CLA b C1A 1 ? ? +57724 HETATM C C2A . CLA GY 33 . ? 54.886 -0.178 2.378 1.00 63.02 ? 609 CLA b C2A 1 ? ? +57725 HETATM C C3A . CLA GY 33 . ? 54.002 -0.548 1.231 1.00 61.92 ? 609 CLA b C3A 1 ? ? +57726 HETATM C C4A . CLA GY 33 . ? 54.585 0.277 0.136 1.00 62.02 ? 609 CLA b C4A 1 ? ? +57727 HETATM C CMA . CLA GY 33 . ? 54.068 -2.035 0.906 1.00 61.62 ? 609 CLA b CMA 1 ? ? +57728 HETATM C CAA . CLA GY 33 . ? 54.122 0.439 3.544 1.00 63.30 ? 609 CLA b CAA 1 ? ? +57729 HETATM C CBA . CLA GY 33 . ? 53.391 1.674 3.064 1.00 63.23 ? 609 CLA b CBA 1 ? ? +57730 HETATM C CGA . CLA GY 33 . ? 52.733 2.432 4.160 1.00 63.69 ? 609 CLA b CGA 1 ? ? +57731 HETATM O O1A . CLA GY 33 . ? 52.895 2.212 5.338 1.00 64.07 ? 609 CLA b O1A 1 ? ? +57732 HETATM O O2A . CLA GY 33 . ? 51.885 3.490 3.720 1.00 64.12 ? 609 CLA b O2A 1 ? ? +57733 HETATM N NB . CLA GY 33 . ? 55.652 1.428 -2.336 1.00 62.16 ? 609 CLA b NB 1 ? ? +57734 HETATM C C1B . CLA GY 33 . ? 54.412 0.916 -2.210 1.00 61.30 ? 609 CLA b C1B 1 ? ? +57735 HETATM C C2B . CLA GY 33 . ? 53.460 1.100 -3.309 1.00 60.46 ? 609 CLA b C2B 1 ? ? +57736 HETATM C C3B . CLA GY 33 . ? 54.295 1.762 -4.283 1.00 60.87 ? 609 CLA b C3B 1 ? ? +57737 HETATM C C4B . CLA GY 33 . ? 55.618 1.877 -3.630 1.00 61.85 ? 609 CLA b C4B 1 ? ? +57738 HETATM C CMB . CLA GY 33 . ? 52.016 0.695 -3.401 1.00 59.43 ? 609 CLA b CMB 1 ? ? +57739 HETATM C CAB . CLA GY 33 . ? 53.756 2.117 -5.622 1.00 60.43 ? 609 CLA b CAB 1 ? ? +57740 HETATM C CBB . CLA GY 33 . ? 54.509 2.486 -6.636 1.00 60.87 ? 609 CLA b CBB 1 ? ? +57741 HETATM N NC . CLA GY 33 . ? 58.144 2.684 -2.156 1.00 63.99 ? 609 CLA b NC 1 ? ? +57742 HETATM C C1C . CLA GY 33 . ? 57.925 3.012 -3.458 1.00 63.55 ? 609 CLA b C1C 1 ? ? +57743 HETATM C C2C . CLA GY 33 . ? 58.822 4.046 -4.061 1.00 64.18 ? 609 CLA b C2C 1 ? ? +57744 HETATM C C3C . CLA GY 33 . ? 59.756 4.312 -3.007 1.00 65.17 ? 609 CLA b C3C 1 ? ? +57745 HETATM C C4C . CLA GY 33 . ? 59.294 3.402 -1.950 1.00 64.90 ? 609 CLA b C4C 1 ? ? +57746 HETATM C CMC . CLA GY 33 . ? 58.839 4.677 -5.425 1.00 63.96 ? 609 CLA b CMC 1 ? ? +57747 HETATM C CAC . CLA GY 33 . ? 60.948 5.227 -3.041 1.00 66.29 ? 609 CLA b CAC 1 ? ? +57748 HETATM C CBC . CLA GY 33 . ? 62.142 4.301 -3.312 1.00 66.92 ? 609 CLA b CBC 1 ? ? +57749 HETATM N ND . CLA GY 33 . ? 58.079 2.368 0.465 1.00 64.61 ? 609 CLA b ND 1 ? ? +57750 HETATM C C1D . CLA GY 33 . ? 59.441 2.924 0.490 1.00 65.61 ? 609 CLA b C1D 1 ? ? +57751 HETATM C C2D . CLA GY 33 . ? 60.060 2.968 1.850 1.00 66.45 ? 609 CLA b C2D 1 ? ? +57752 HETATM C C3D . CLA GY 33 . ? 59.042 2.229 2.598 1.00 65.88 ? 609 CLA b C3D 1 ? ? +57753 HETATM C C4D . CLA GY 33 . ? 58.082 1.851 1.747 1.00 64.92 ? 609 CLA b C4D 1 ? ? +57754 HETATM C CMD . CLA GY 33 . ? 61.323 3.500 2.488 1.00 67.72 ? 609 CLA b CMD 1 ? ? +57755 HETATM C CAD . CLA GY 33 . ? 58.718 1.719 3.954 1.00 66.07 ? 609 CLA b CAD 1 ? ? +57756 HETATM O OBD . CLA GY 33 . ? 59.416 1.808 5.020 1.00 66.99 ? 609 CLA b OBD 1 ? ? +57757 HETATM C CBD . CLA GY 33 . ? 57.441 0.979 3.877 1.00 65.10 ? 609 CLA b CBD 1 ? ? +57758 HETATM C CGD . CLA GY 33 . ? 57.769 -0.475 3.982 1.00 65.22 ? 609 CLA b CGD 1 ? ? +57759 HETATM O O1D . CLA GY 33 . ? 57.102 -1.273 4.626 1.00 64.94 ? 609 CLA b O1D 1 ? ? +57760 HETATM O O2D . CLA GY 33 . ? 58.918 -0.955 3.239 1.00 65.73 ? 609 CLA b O2D 1 ? ? +57761 HETATM C CED . CLA GY 33 . ? 59.448 -2.268 3.420 1.00 65.97 ? 609 CLA b CED 1 ? ? +57762 HETATM C C1 . CLA GY 33 . ? 51.097 4.188 4.660 1.00 64.83 ? 609 CLA b C1 1 ? ? +57763 HETATM C C2 . CLA GY 33 . ? 49.976 4.844 3.911 1.00 64.61 ? 609 CLA b C2 1 ? ? +57764 HETATM C C3 . CLA GY 33 . ? 48.707 4.571 4.225 1.00 64.93 ? 609 CLA b C3 1 ? ? +57765 HETATM C C4 . CLA GY 33 . ? 48.379 3.609 5.318 1.00 64.90 ? 609 CLA b C4 1 ? ? +57766 HETATM C C5 . CLA GY 33 . ? 47.546 5.195 3.503 1.00 65.25 ? 609 CLA b C5 1 ? ? +57767 HETATM C C6 . CLA GY 33 . ? 47.882 6.456 2.709 1.00 66.44 ? 609 CLA b C6 1 ? ? +57768 HETATM C C7 . CLA GY 33 . ? 46.562 6.976 2.193 1.00 66.99 ? 609 CLA b C7 1 ? ? +57769 HETATM C C8 . CLA GY 33 . ? 46.423 8.453 1.827 1.00 68.58 ? 609 CLA b C8 1 ? ? +57770 HETATM C C9 . CLA GY 33 . ? 47.530 9.469 2.050 1.00 69.23 ? 609 CLA b C9 1 ? ? +57771 HETATM C C10 . CLA GY 33 . ? 45.118 8.733 1.073 1.00 69.45 ? 609 CLA b C10 1 ? ? +57772 HETATM C C11 . CLA GY 33 . ? 45.042 9.983 0.211 1.00 70.97 ? 609 CLA b C11 1 ? ? +57773 HETATM C C12 . CLA GY 33 . ? 43.570 10.385 0.083 1.00 71.62 ? 609 CLA b C12 1 ? ? +57774 HETATM C C13 . CLA GY 33 . ? 43.395 11.799 -0.468 1.00 73.49 ? 609 CLA b C13 1 ? ? +57775 HETATM C C14 . CLA GY 33 . ? 41.914 12.160 -0.528 1.00 73.04 ? 609 CLA b C14 1 ? ? +57776 HETATM C C15 . CLA GY 33 . ? 44.060 11.981 -1.830 1.00 75.26 ? 609 CLA b C15 1 ? ? +57777 HETATM C C16 . CLA GY 33 . ? 44.320 13.461 -2.109 1.00 77.78 ? 609 CLA b C16 1 ? ? +57778 HETATM C C17 . CLA GY 33 . ? 45.092 13.563 -3.412 1.00 79.55 ? 609 CLA b C17 1 ? ? +57779 HETATM C C18 . CLA GY 33 . ? 45.114 14.907 -4.146 1.00 81.27 ? 609 CLA b C18 1 ? ? +57780 HETATM C C19 . CLA GY 33 . ? 43.959 15.899 -4.060 1.00 81.71 ? 609 CLA b C19 1 ? ? +57781 HETATM C C20 . CLA GY 33 . ? 46.446 15.193 -4.841 1.00 81.63 ? 609 CLA b C20 1 ? ? +57782 HETATM MG MG . CLA GZ 33 . ? -12.707 6.572 19.197 1.00 59.66 ? 506 CLA c MG 1 ? ? +57783 HETATM C CHA . CLA GZ 33 . ? -13.713 4.270 21.624 1.00 60.49 ? 506 CLA c CHA 1 ? ? +57784 HETATM C CHB . CLA GZ 33 . ? -10.841 4.059 17.832 1.00 58.67 ? 506 CLA c CHB 1 ? ? +57785 HETATM C CHC . CLA GZ 33 . ? -12.690 8.231 16.108 1.00 59.02 ? 506 CLA c CHC 1 ? ? +57786 HETATM C CHD . CLA GZ 33 . ? -15.768 8.449 19.913 1.00 61.10 ? 506 CLA c CHD 1 ? ? +57787 HETATM N NA . CLA GZ 33 . ? -12.284 4.642 19.652 1.00 59.71 ? 506 CLA c NA 1 ? ? +57788 HETATM C C1A . CLA GZ 33 . ? -12.617 3.949 20.698 1.00 60.21 ? 506 CLA c C1A 1 ? ? +57789 HETATM C C2A . CLA GZ 33 . ? -11.644 2.858 21.081 1.00 60.40 ? 506 CLA c C2A 1 ? ? +57790 HETATM C C3A . CLA GZ 33 . ? -10.669 2.892 19.935 1.00 59.56 ? 506 CLA c C3A 1 ? ? +57791 HETATM C C4A . CLA GZ 33 . ? -11.324 3.912 19.054 1.00 59.32 ? 506 CLA c C4A 1 ? ? +57792 HETATM C CMA . CLA GZ 33 . ? -9.269 3.346 20.352 1.00 59.37 ? 506 CLA c CMA 1 ? ? +57793 HETATM C CAA . CLA GZ 33 . ? -12.234 1.472 21.297 1.00 61.18 ? 506 CLA c CAA 1 ? ? +57794 HETATM C CBA . CLA GZ 33 . ? -12.916 0.858 20.079 1.00 61.49 ? 506 CLA c CBA 1 ? ? +57795 HETATM C CGA . CLA GZ 33 . ? -14.229 1.559 19.812 1.00 62.78 ? 506 CLA c CGA 1 ? ? +57796 HETATM O O1A . CLA GZ 33 . ? -15.143 1.588 20.615 1.00 63.10 ? 506 CLA c O1A 1 ? ? +57797 HETATM O O2A . CLA GZ 33 . ? -14.376 2.248 18.555 1.00 64.23 ? 506 CLA c O2A 1 ? ? +57798 HETATM N NB . CLA GZ 33 . ? -11.963 6.212 17.304 1.00 58.81 ? 506 CLA c NB 1 ? ? +57799 HETATM C C1B . CLA GZ 33 . ? -11.145 5.185 16.953 1.00 58.44 ? 506 CLA c C1B 1 ? ? +57800 HETATM C C2B . CLA GZ 33 . ? -10.642 5.143 15.581 1.00 57.82 ? 506 CLA c C2B 1 ? ? +57801 HETATM C C3B . CLA GZ 33 . ? -11.193 6.364 15.040 1.00 58.06 ? 506 CLA c C3B 1 ? ? +57802 HETATM C C4B . CLA GZ 33 . ? -11.922 6.986 16.188 1.00 58.57 ? 506 CLA c C4B 1 ? ? +57803 HETATM C CMB . CLA GZ 33 . ? -9.768 4.123 14.917 1.00 57.40 ? 506 CLA c CMB 1 ? ? +57804 HETATM C CAB . CLA GZ 33 . ? -10.905 6.741 13.621 1.00 57.91 ? 506 CLA c CAB 1 ? ? +57805 HETATM C CBB . CLA GZ 33 . ? -11.331 7.835 13.033 1.00 58.22 ? 506 CLA c CBB 1 ? ? +57806 HETATM N NC . CLA GZ 33 . ? -13.973 7.943 18.238 1.00 59.95 ? 506 CLA c NC 1 ? ? +57807 HETATM C C1C . CLA GZ 33 . ? -13.742 8.600 17.068 1.00 59.65 ? 506 CLA c C1C 1 ? ? +57808 HETATM C C2C . CLA GZ 33 . ? -14.706 9.650 16.659 1.00 59.90 ? 506 CLA c C2C 1 ? ? +57809 HETATM C C3C . CLA GZ 33 . ? -15.629 9.706 17.785 1.00 60.67 ? 506 CLA c C3C 1 ? ? +57810 HETATM C C4C . CLA GZ 33 . ? -15.035 8.693 18.685 1.00 60.48 ? 506 CLA c C4C 1 ? ? +57811 HETATM C CMC . CLA GZ 33 . ? -14.735 10.473 15.403 1.00 59.61 ? 506 CLA c CMC 1 ? ? +57812 HETATM C CAC . CLA GZ 33 . ? -16.791 10.658 18.031 1.00 61.39 ? 506 CLA c CAC 1 ? ? +57813 HETATM C CBC . CLA GZ 33 . ? -18.167 10.162 17.785 1.00 61.87 ? 506 CLA c CBC 1 ? ? +57814 HETATM N ND . CLA GZ 33 . ? -14.472 6.294 20.230 1.00 60.43 ? 506 CLA c ND 1 ? ? +57815 HETATM C C1D . CLA GZ 33 . ? -15.437 7.301 20.718 1.00 61.00 ? 506 CLA c C1D 1 ? ? +57816 HETATM C C2D . CLA GZ 33 . ? -16.143 6.895 21.966 1.00 61.56 ? 506 CLA c C2D 1 ? ? +57817 HETATM C C3D . CLA GZ 33 . ? -15.365 5.681 22.312 1.00 61.29 ? 506 CLA c C3D 1 ? ? +57818 HETATM C C4D . CLA GZ 33 . ? -14.421 5.487 21.373 1.00 60.64 ? 506 CLA c C4D 1 ? ? +57819 HETATM C CMD . CLA GZ 33 . ? -17.259 7.465 22.797 1.00 62.29 ? 506 CLA c CMD 1 ? ? +57820 HETATM C CAD . CLA GZ 33 . ? -15.243 4.586 23.318 1.00 61.44 ? 506 CLA c CAD 1 ? ? +57821 HETATM O OBD . CLA GZ 33 . ? -15.902 4.406 24.390 1.00 61.93 ? 506 CLA c OBD 1 ? ? +57822 HETATM C CBD . CLA GZ 33 . ? -14.137 3.676 22.923 1.00 60.85 ? 506 CLA c CBD 1 ? ? +57823 HETATM C CGD . CLA GZ 33 . ? -13.098 3.753 24.011 1.00 60.75 ? 506 CLA c CGD 1 ? ? +57824 HETATM O O1D . CLA GZ 33 . ? -12.631 2.757 24.527 1.00 60.72 ? 506 CLA c O1D 1 ? ? +57825 HETATM O O2D . CLA GZ 33 . ? -12.623 4.999 24.554 1.00 60.61 ? 506 CLA c O2D 1 ? ? +57826 HETATM C CED . CLA GZ 33 . ? -11.935 4.925 25.790 1.00 60.93 ? 506 CLA c CED 1 ? ? +57827 HETATM C C1 . CLA GZ 33 . ? -15.613 2.824 18.212 1.00 66.04 ? 506 CLA c C1 1 ? ? +57828 HETATM C C2 . CLA GZ 33 . ? -15.485 3.361 16.808 1.00 66.83 ? 506 CLA c C2 1 ? ? +57829 HETATM C C3 . CLA GZ 33 . ? -15.856 4.615 16.485 1.00 69.11 ? 506 CLA c C3 1 ? ? +57830 HETATM C C4 . CLA GZ 33 . ? -16.426 5.555 17.500 1.00 69.70 ? 506 CLA c C4 1 ? ? +57831 HETATM C C5 . CLA GZ 33 . ? -15.747 5.125 15.077 1.00 70.87 ? 506 CLA c C5 1 ? ? +57832 HETATM C C6 . CLA GZ 33 . ? -14.699 4.383 14.261 1.00 72.50 ? 506 CLA c C6 1 ? ? +57833 HETATM C C7 . CLA GZ 33 . ? -14.486 5.163 12.970 1.00 74.59 ? 506 CLA c C7 1 ? ? +57834 HETATM C C8 . CLA GZ 33 . ? -14.236 4.373 11.692 1.00 76.52 ? 506 CLA c C8 1 ? ? +57835 HETATM C C9 . CLA GZ 33 . ? -13.457 4.974 10.551 1.00 77.59 ? 506 CLA c C9 1 ? ? +57836 HETATM C C10 . CLA GZ 33 . ? -14.733 2.972 11.506 1.00 78.30 ? 506 CLA c C10 1 ? ? +57837 HETATM C C11 . CLA GZ 33 . ? -16.067 3.315 10.868 1.00 80.74 ? 506 CLA c C11 1 ? ? +57838 HETATM C C12 . CLA GZ 33 . ? -16.877 2.107 10.470 1.00 82.32 ? 506 CLA c C12 1 ? ? +57839 HETATM C C13 . CLA GZ 33 . ? -18.294 2.558 10.133 1.00 84.20 ? 506 CLA c C13 1 ? ? +57840 HETATM C C14 . CLA GZ 33 . ? -19.294 1.756 10.953 1.00 84.99 ? 506 CLA c C14 1 ? ? +57841 HETATM C C15 . CLA GZ 33 . ? -18.514 2.390 8.629 1.00 85.80 ? 506 CLA c C15 1 ? ? +57842 HETATM C C16 . CLA GZ 33 . ? -19.427 3.453 8.025 1.00 87.13 ? 506 CLA c C16 1 ? ? +57843 HETATM C C17 . CLA GZ 33 . ? -19.400 3.311 6.500 1.00 86.71 ? 506 CLA c C17 1 ? ? +57844 HETATM C C18 . CLA GZ 33 . ? -20.699 3.625 5.765 1.00 86.61 ? 506 CLA c C18 1 ? ? +57845 HETATM C C19 . CLA GZ 33 . ? -22.013 3.883 6.480 1.00 89.74 ? 506 CLA c C19 1 ? ? +57846 HETATM C C20 . CLA GZ 33 . ? -20.646 3.705 4.253 1.00 85.76 ? 506 CLA c C20 1 ? ? +57847 HETATM MG MG . CLA HA 33 . ? 42.156 25.024 3.872 1.00 60.27 ? 404 CLA d MG 1 ? ? +57848 HETATM C CHA . CLA HA 33 . ? 42.436 26.228 0.645 1.00 60.10 ? 404 CLA d CHA 1 ? ? +57849 HETATM C CHB . CLA HA 33 . ? 42.604 21.906 2.758 1.00 59.23 ? 404 CLA d CHB 1 ? ? +57850 HETATM C CHC . CLA HA 33 . ? 43.216 23.999 7.098 1.00 61.23 ? 404 CLA d CHC 1 ? ? +57851 HETATM C CHD . CLA HA 33 . ? 42.618 28.409 5.040 1.00 62.01 ? 404 CLA d CHD 1 ? ? +57852 HETATM N NA . CLA HA 33 . ? 42.543 24.223 2.067 1.00 59.90 ? 404 CLA d NA 1 ? ? +57853 HETATM C C1A . CLA HA 33 . ? 42.559 24.784 0.891 1.00 59.95 ? 404 CLA d C1A 1 ? ? +57854 HETATM C C2A . CLA HA 33 . ? 42.591 23.832 -0.272 1.00 59.71 ? 404 CLA d C2A 1 ? ? +57855 HETATM C C3A . CLA HA 33 . ? 42.360 22.512 0.421 1.00 59.10 ? 404 CLA d C3A 1 ? ? +57856 HETATM C C4A . CLA HA 33 . ? 42.534 22.891 1.860 1.00 59.47 ? 404 CLA d C4A 1 ? ? +57857 HETATM C CMA . CLA HA 33 . ? 40.965 21.911 0.190 1.00 58.16 ? 404 CLA d CMA 1 ? ? +57858 HETATM C CAA . CLA HA 33 . ? 43.911 23.868 -1.040 1.00 60.83 ? 404 CLA d CAA 1 ? ? +57859 HETATM C CBA . CLA HA 33 . ? 45.130 23.567 -0.141 1.00 62.20 ? 404 CLA d CBA 1 ? ? +57860 HETATM C CGA . CLA HA 33 . ? 46.429 23.544 -0.891 1.00 63.66 ? 404 CLA d CGA 1 ? ? +57861 HETATM O O1A . CLA HA 33 . ? 46.502 23.571 -2.106 1.00 63.46 ? 404 CLA d O1A 1 ? ? +57862 HETATM O O2A . CLA HA 33 . ? 47.660 23.504 -0.122 1.00 66.43 ? 404 CLA d O2A 1 ? ? +57863 HETATM N NB . CLA HA 33 . ? 42.850 23.291 4.784 1.00 60.20 ? 404 CLA d NB 1 ? ? +57864 HETATM C C1B . CLA HA 33 . ? 42.843 22.069 4.193 1.00 59.66 ? 404 CLA d C1B 1 ? ? +57865 HETATM C C2B . CLA HA 33 . ? 43.253 20.898 4.997 1.00 59.62 ? 404 CLA d C2B 1 ? ? +57866 HETATM C C3B . CLA HA 33 . ? 43.446 21.523 6.283 1.00 60.29 ? 404 CLA d C3B 1 ? ? +57867 HETATM C C4B . CLA HA 33 . ? 43.141 22.971 6.072 1.00 60.55 ? 404 CLA d C4B 1 ? ? +57868 HETATM C CMB . CLA HA 33 . ? 43.408 19.455 4.606 1.00 59.11 ? 404 CLA d CMB 1 ? ? +57869 HETATM C CAB . CLA HA 33 . ? 43.861 20.709 7.451 1.00 60.62 ? 404 CLA d CAB 1 ? ? +57870 HETATM C CBB . CLA HA 33 . ? 44.019 21.193 8.663 1.00 61.28 ? 404 CLA d CBB 1 ? ? +57871 HETATM N NC . CLA HA 33 . ? 42.833 25.956 5.611 1.00 61.36 ? 404 CLA d NC 1 ? ? +57872 HETATM C C1C . CLA HA 33 . ? 43.107 25.420 6.826 1.00 61.65 ? 404 CLA d C1C 1 ? ? +57873 HETATM C C2C . CLA HA 33 . ? 43.403 26.358 7.921 1.00 62.60 ? 404 CLA d C2C 1 ? ? +57874 HETATM C C3C . CLA HA 33 . ? 43.216 27.661 7.307 1.00 62.73 ? 404 CLA d C3C 1 ? ? +57875 HETATM C C4C . CLA HA 33 . ? 42.823 27.288 5.951 1.00 61.95 ? 404 CLA d C4C 1 ? ? +57876 HETATM C CMC . CLA HA 33 . ? 43.817 26.089 9.338 1.00 63.33 ? 404 CLA d CMC 1 ? ? +57877 HETATM C CAC . CLA HA 33 . ? 43.367 29.043 7.909 1.00 63.54 ? 404 CLA d CAC 1 ? ? +57878 HETATM C CBC . CLA HA 33 . ? 44.806 29.485 7.899 1.00 64.48 ? 404 CLA d CBC 1 ? ? +57879 HETATM N ND . CLA HA 33 . ? 42.730 26.820 3.098 1.00 60.95 ? 404 CLA d ND 1 ? ? +57880 HETATM C C1D . CLA HA 33 . ? 42.468 28.167 3.633 1.00 61.45 ? 404 CLA d C1D 1 ? ? +57881 HETATM C C2D . CLA HA 33 . ? 42.318 29.220 2.585 1.00 61.52 ? 404 CLA d C2D 1 ? ? +57882 HETATM C C3D . CLA HA 33 . ? 42.281 28.361 1.400 1.00 60.90 ? 404 CLA d C3D 1 ? ? +57883 HETATM C C4D . CLA HA 33 . ? 42.384 27.087 1.788 1.00 60.58 ? 404 CLA d C4D 1 ? ? +57884 HETATM C CMD . CLA HA 33 . ? 42.178 30.718 2.513 1.00 62.05 ? 404 CLA d CMD 1 ? ? +57885 HETATM C CAD . CLA HA 33 . ? 42.135 28.407 -0.077 1.00 60.53 ? 404 CLA d CAD 1 ? ? +57886 HETATM O OBD . CLA HA 33 . ? 41.939 29.447 -0.804 1.00 60.71 ? 404 CLA d OBD 1 ? ? +57887 HETATM C CBD . CLA HA 33 . ? 42.149 27.011 -0.584 1.00 59.90 ? 404 CLA d CBD 1 ? ? +57888 HETATM C CGD . CLA HA 33 . ? 40.739 26.721 -1.065 1.00 58.97 ? 404 CLA d CGD 1 ? ? +57889 HETATM O O1D . CLA HA 33 . ? 39.852 26.249 -0.351 1.00 58.50 ? 404 CLA d O1D 1 ? ? +57890 HETATM O O2D . CLA HA 33 . ? 40.368 27.040 -2.420 1.00 58.59 ? 404 CLA d O2D 1 ? ? +57891 HETATM C CED . CLA HA 33 . ? 39.000 26.956 -2.765 1.00 57.87 ? 404 CLA d CED 1 ? ? +57892 HETATM C C1 . CLA HA 33 . ? 48.839 22.992 -0.708 1.00 68.41 ? 404 CLA d C1 1 ? ? +57893 HETATM C C2 . CLA HA 33 . ? 49.857 22.854 0.385 1.00 70.97 ? 404 CLA d C2 1 ? ? +57894 HETATM C C3 . CLA HA 33 . ? 50.252 21.664 0.864 1.00 73.74 ? 404 CLA d C3 1 ? ? +57895 HETATM C C4 . CLA HA 33 . ? 49.669 20.391 0.320 1.00 72.88 ? 404 CLA d C4 1 ? ? +57896 HETATM C C5 . CLA HA 33 . ? 51.285 21.678 1.967 1.00 77.51 ? 404 CLA d C5 1 ? ? +57897 HETATM C C6 . CLA HA 33 . ? 52.081 20.383 2.128 1.00 80.40 ? 404 CLA d C6 1 ? ? +57898 HETATM C C7 . CLA HA 33 . ? 53.511 20.579 1.633 1.00 85.80 ? 404 CLA d C7 1 ? ? +57899 HETATM C C8 . CLA HA 33 . ? 54.682 20.024 2.467 1.00 90.55 ? 404 CLA d C8 1 ? ? +57900 HETATM C C9 . CLA HA 33 . ? 54.546 19.663 3.955 1.00 91.88 ? 404 CLA d C9 1 ? ? +57901 HETATM C C10 . CLA HA 33 . ? 55.922 19.648 1.639 1.00 94.18 ? 404 CLA d C10 1 ? ? +57902 HETATM C C11 . CLA HA 33 . ? 56.557 18.269 1.851 1.00 97.35 ? 404 CLA d C11 1 ? ? +57903 HETATM C C12 . CLA HA 33 . ? 58.030 18.285 1.414 1.00 99.17 ? 404 CLA d C12 1 ? ? +57904 HETATM C C13 . CLA HA 33 . ? 58.755 16.969 1.677 1.00 101.41 ? 404 CLA d C13 1 ? ? +57905 HETATM C C14 . CLA HA 33 . ? 58.307 16.314 2.991 1.00 100.70 ? 404 CLA d C14 1 ? ? +57906 HETATM C C15 . CLA HA 33 . ? 60.272 17.206 1.674 1.00 106.24 ? 404 CLA d C15 1 ? ? +57907 HETATM C C16 . CLA HA 33 . ? 60.869 17.777 0.369 1.00 109.62 ? 404 CLA d C16 1 ? ? +57908 HETATM C C17 . CLA HA 33 . ? 62.267 18.340 0.681 1.00 114.20 ? 404 CLA d C17 1 ? ? +57909 HETATM C C18 . CLA HA 33 . ? 63.335 18.545 -0.423 1.00 117.35 ? 404 CLA d C18 1 ? ? +57910 HETATM C C19 . CLA HA 33 . ? 64.090 17.344 -1.012 1.00 115.38 ? 404 CLA d C19 1 ? ? +57911 HETATM C C20 . CLA HA 33 . ? 63.448 20.006 -1.016 1.00 118.88 ? 404 CLA d C20 1 ? ? +57912 HETATM C C1 . GOL HB 38 . ? 11.074 22.904 -31.822 1.00 100.49 ? 302 GOL o C1 1 ? ? +57913 HETATM O O1 . GOL HB 38 . ? 12.382 22.657 -32.341 1.00 99.15 ? 302 GOL o O1 1 ? ? +57914 HETATM C C2 . GOL HB 38 . ? 10.117 23.412 -32.885 1.00 101.03 ? 302 GOL o C2 1 ? ? +57915 HETATM O O2 . GOL HB 38 . ? 9.341 22.341 -33.425 1.00 100.07 ? 302 GOL o O2 1 ? ? +57916 HETATM C C3 . GOL HB 38 . ? 9.177 24.485 -32.378 1.00 101.76 ? 302 GOL o C3 1 ? ? +57917 HETATM O O3 . GOL HB 38 . ? 7.846 24.271 -32.839 1.00 102.35 ? 302 GOL o O3 1 ? ? +57918 HETATM O O6 A SQD HC 29 . ? 28.333 -71.916 -31.259 0.40 71.81 ? 410 SQD A O6 1 ? ? +57919 HETATM O O6 B SQD HC 29 . ? 28.295 -71.917 -31.259 0.60 75.27 ? 410 SQD A O6 1 ? ? +57920 HETATM C C44 A SQD HC 29 . ? 29.608 -71.446 -31.726 0.40 73.46 ? 410 SQD A C44 1 ? ? +57921 HETATM C C44 B SQD HC 29 . ? 29.562 -71.427 -31.728 0.60 77.96 ? 410 SQD A C44 1 ? ? +57922 HETATM C C45 A SQD HC 29 . ? 29.557 -70.050 -32.260 0.40 74.22 ? 410 SQD A C45 1 ? ? +57923 HETATM C C45 B SQD HC 29 . ? 29.492 -70.042 -32.283 0.60 79.71 ? 410 SQD A C45 1 ? ? +57924 HETATM C C46 A SQD HC 29 . ? 30.729 -69.759 -33.166 0.40 75.04 ? 410 SQD A C46 1 ? ? +57925 HETATM C C46 B SQD HC 29 . ? 30.655 -69.764 -33.206 0.60 81.53 ? 410 SQD A C46 1 ? ? +57926 HETATM O O47 A SQD HC 29 . ? 28.408 -69.831 -33.109 0.40 74.83 ? 410 SQD A O47 1 ? ? +57927 HETATM O O47 B SQD HC 29 . ? 28.362 -69.833 -33.161 0.60 80.71 ? 410 SQD A O47 1 ? ? +57928 HETATM C C7 A SQD HC 29 . ? 27.716 -68.700 -32.941 0.40 76.14 ? 410 SQD A C7 1 ? ? +57929 HETATM C C7 B SQD HC 29 . ? 27.393 -68.975 -32.821 0.60 82.97 ? 410 SQD A C7 1 ? ? +57930 HETATM O O49 A SQD HC 29 . ? 27.867 -67.967 -32.000 0.40 75.48 ? 410 SQD A O49 1 ? ? +57931 HETATM O O49 B SQD HC 29 . ? 27.215 -68.506 -31.730 0.60 81.65 ? 410 SQD A O49 1 ? ? +57932 HETATM C C8 A SQD HC 29 . ? 26.854 -68.500 -34.153 0.40 76.93 ? 410 SQD A C8 1 ? ? +57933 HETATM C C8 B SQD HC 29 . ? 26.694 -68.678 -34.114 0.60 84.39 ? 410 SQD A C8 1 ? ? +57934 HETATM C C9 A SQD HC 29 . ? 25.647 -67.670 -33.936 0.40 77.65 ? 410 SQD A C9 1 ? ? +57935 HETATM C C9 B SQD HC 29 . ? 25.500 -67.810 -34.003 0.60 85.92 ? 410 SQD A C9 1 ? ? +57936 HETATM C C10 A SQD HC 29 . ? 24.806 -67.594 -35.204 0.40 79.24 ? 410 SQD A C10 1 ? ? +57937 HETATM C C10 B SQD HC 29 . ? 24.714 -67.768 -35.311 0.60 88.52 ? 410 SQD A C10 1 ? ? +57938 HETATM C C11 A SQD HC 29 . ? 25.627 -67.403 -36.458 0.40 79.90 ? 410 SQD A C11 1 ? ? +57939 HETATM C C11 B SQD HC 29 . ? 25.556 -67.512 -36.550 0.60 89.00 ? 410 SQD A C11 1 ? ? +57940 HETATM C C12 A SQD HC 29 . ? 26.294 -66.054 -36.533 0.40 80.07 ? 410 SQD A C12 1 ? ? +57941 HETATM C C12 B SQD HC 29 . ? 26.199 -66.149 -36.572 0.60 88.93 ? 410 SQD A C12 1 ? ? +57942 HETATM C C13 A SQD HC 29 . ? 27.319 -65.910 -37.628 0.40 80.50 ? 410 SQD A C13 1 ? ? +57943 HETATM C C13 B SQD HC 29 . ? 27.119 -65.901 -37.747 0.60 88.70 ? 410 SQD A C13 1 ? ? +57944 HETATM C C14 A SQD HC 29 . ? 27.520 -64.482 -38.058 0.40 79.89 ? 410 SQD A C14 1 ? ? +57945 HETATM C C14 B SQD HC 29 . ? 27.492 -64.449 -37.958 0.60 86.94 ? 410 SQD A C14 1 ? ? +57946 HETATM C C15 A SQD HC 29 . ? 26.287 -63.630 -37.892 0.40 78.64 ? 410 SQD A C15 1 ? ? +57947 HETATM C C15 B SQD HC 29 . ? 26.322 -63.486 -37.972 0.60 84.19 ? 410 SQD A C15 1 ? ? +57948 HETATM C C16 A SQD HC 29 . ? 25.422 -63.570 -39.117 0.40 78.13 ? 410 SQD A C16 1 ? ? +57949 HETATM C C16 B SQD HC 29 . ? 25.445 -63.602 -39.184 0.60 82.56 ? 410 SQD A C16 1 ? ? +57950 HETATM C C17 A SQD HC 29 . ? 26.083 -62.891 -40.285 0.40 78.18 ? 410 SQD A C17 1 ? ? +57951 HETATM C C17 B SQD HC 29 . ? 26.033 -62.961 -40.414 0.60 81.71 ? 410 SQD A C17 1 ? ? +57952 HETATM C C18 A SQD HC 29 . ? 25.359 -61.666 -40.772 0.40 77.12 ? 410 SQD A C18 1 ? ? +57953 HETATM C C18 B SQD HC 29 . ? 25.346 -61.690 -40.843 0.60 79.09 ? 410 SQD A C18 1 ? ? +57954 HETATM C C19 A SQD HC 29 . ? 24.349 -61.951 -41.844 0.40 77.10 ? 410 SQD A C19 1 ? ? +57955 HETATM C C19 B SQD HC 29 . ? 24.250 -61.908 -41.844 0.60 77.99 ? 410 SQD A C19 1 ? ? +57956 HETATM C C20 A SQD HC 29 . ? 23.809 -60.717 -42.512 0.40 76.77 ? 410 SQD A C20 1 ? ? +57957 HETATM C C20 B SQD HC 29 . ? 23.829 -60.659 -42.567 0.60 76.45 ? 410 SQD A C20 1 ? ? +57958 HETATM C C21 A SQD HC 29 . ? 23.527 -59.591 -41.558 0.40 76.08 ? 410 SQD A C21 1 ? ? +57959 HETATM C C21 B SQD HC 29 . ? 23.416 -59.542 -41.654 0.60 74.29 ? 410 SQD A C21 1 ? ? +57960 HETATM C C22 A SQD HC 29 . ? 22.705 -58.490 -42.173 0.40 75.49 ? 410 SQD A C22 1 ? ? +57961 HETATM C C22 B SQD HC 29 . ? 22.605 -58.490 -42.354 0.60 72.45 ? 410 SQD A C22 1 ? ? +57962 HETATM O O48 A SQD HC 29 . ? 30.612 -70.631 -34.312 0.40 76.00 ? 410 SQD A O48 1 ? ? +57963 HETATM O O48 B SQD HC 29 . ? 30.491 -70.638 -34.345 0.60 83.44 ? 410 SQD A O48 1 ? ? +57964 HETATM C C23 A SQD HC 29 . ? 30.151 -70.071 -35.423 0.40 76.21 ? 410 SQD A C23 1 ? ? +57965 HETATM C C23 B SQD HC 29 . ? 30.323 -70.071 -35.534 0.60 85.24 ? 410 SQD A C23 1 ? ? +57966 HETATM O O10 A SQD HC 29 . ? 29.892 -68.900 -35.501 0.40 75.16 ? 410 SQD A O10 1 ? ? +57967 HETATM O O10 B SQD HC 29 . ? 30.385 -68.883 -35.716 0.60 83.26 ? 410 SQD A O10 1 ? ? +57968 HETATM C C24 A SQD HC 29 . ? 30.003 -71.070 -36.540 0.40 77.52 ? 410 SQD A C24 1 ? ? +57969 HETATM C C24 B SQD HC 29 . ? 30.036 -71.099 -36.596 0.60 88.34 ? 410 SQD A C24 1 ? ? +57970 HETATM C C25 A SQD HC 29 . ? 30.112 -70.440 -37.892 0.40 78.30 ? 410 SQD A C25 1 ? ? +57971 HETATM C C25 B SQD HC 29 . ? 30.175 -70.544 -37.971 0.60 91.23 ? 410 SQD A C25 1 ? ? +57972 HETATM C C26 A SQD HC 29 . ? 29.436 -71.229 -39.003 0.40 79.91 ? 410 SQD A C26 1 ? ? +57973 HETATM C C26 B SQD HC 29 . ? 29.470 -71.343 -39.050 0.60 95.43 ? 410 SQD A C26 1 ? ? +57974 HETATM C C27 A SQD HC 29 . ? 29.457 -70.489 -40.323 0.40 80.83 ? 410 SQD A C27 1 ? ? +57975 HETATM C C27 B SQD HC 29 . ? 29.461 -70.595 -40.360 0.60 98.93 ? 410 SQD A C27 1 ? ? +57976 HETATM C C28 A SQD HC 29 . ? 28.826 -71.193 -41.501 0.40 81.90 ? 410 SQD A C28 1 ? ? +57977 HETATM C C28 B SQD HC 29 . ? 28.804 -71.278 -41.526 0.60 102.18 ? 410 SQD A C28 1 ? ? +57978 HETATM C C29 A SQD HC 29 . ? 28.781 -70.320 -42.733 0.40 82.53 ? 410 SQD A C29 1 ? ? +57979 HETATM C C29 B SQD HC 29 . ? 28.735 -70.383 -42.737 0.60 105.21 ? 410 SQD A C29 1 ? ? +57980 HETATM C C30 A SQD HC 29 . ? 28.324 -70.999 -44.000 0.40 83.72 ? 410 SQD A C30 1 ? ? +57981 HETATM C C30 B SQD HC 29 . ? 28.290 -71.053 -44.005 0.60 108.64 ? 410 SQD A C30 1 ? ? +57982 HETATM C C31 A SQD HC 29 . ? 28.565 -70.169 -45.242 0.40 84.08 ? 410 SQD A C31 1 ? ? +57983 HETATM C C31 B SQD HC 29 . ? 28.552 -70.231 -45.247 0.60 110.56 ? 410 SQD A C31 1 ? ? +57984 HETATM C C32 A SQD HC 29 . ? 28.048 -70.782 -46.518 0.40 84.25 ? 410 SQD A C32 1 ? ? +57985 HETATM C C32 B SQD HC 29 . ? 28.031 -70.843 -46.522 0.60 110.92 ? 410 SQD A C32 1 ? ? +57986 HETATM C C33 A SQD HC 29 . ? 28.628 -72.136 -46.832 0.40 84.67 ? 410 SQD A C33 1 ? ? +57987 HETATM C C33 B SQD HC 29 . ? 28.622 -72.190 -46.847 0.60 111.03 ? 410 SQD A C33 1 ? ? +57988 HETATM C C34 A SQD HC 29 . ? 27.925 -72.848 -47.955 0.40 84.67 ? 410 SQD A C34 1 ? ? +57989 HETATM C C34 B SQD HC 29 . ? 27.944 -72.887 -47.988 0.60 110.72 ? 410 SQD A C34 1 ? ? +57990 HETATM C C35 A SQD HC 29 . ? 28.479 -74.208 -48.269 0.40 85.16 ? 410 SQD A C35 1 ? ? +57991 HETATM C C35 B SQD HC 29 . ? 28.515 -74.238 -48.304 0.60 110.96 ? 410 SQD A C35 1 ? ? +57992 HETATM C C36 A SQD HC 29 . ? 27.876 -74.834 -49.496 0.40 85.12 ? 410 SQD A C36 1 ? ? +57993 HETATM C C36 B SQD HC 29 . ? 27.883 -74.892 -49.499 0.60 110.57 ? 410 SQD A C36 1 ? ? +57994 HETATM C C37 A SQD HC 29 . ? 26.600 -75.591 -49.238 0.40 85.14 ? 410 SQD A C37 1 ? ? +57995 HETATM C C37 B SQD HC 29 . ? 26.608 -75.633 -49.193 0.60 110.26 ? 410 SQD A C37 1 ? ? +57996 HETATM C C38 A SQD HC 29 . ? 25.954 -76.115 -50.499 0.40 85.25 ? 410 SQD A C38 1 ? ? +57997 HETATM C C38 B SQD HC 29 . ? 25.929 -76.170 -50.430 0.60 110.21 ? 410 SQD A C38 1 ? ? +57998 HETATM C C1 A SQD HC 29 . ? 28.496 -72.543 -30.026 0.40 70.78 ? 410 SQD A C1 1 ? ? +57999 HETATM C C1 B SQD HC 29 . ? 28.460 -72.553 -30.030 0.60 73.38 ? 410 SQD A C1 1 ? ? +58000 HETATM C C2 A SQD HC 29 . ? 27.183 -72.848 -29.336 0.40 70.37 ? 410 SQD A C2 1 ? ? +58001 HETATM C C2 B SQD HC 29 . ? 27.152 -72.929 -29.367 0.60 72.69 ? 410 SQD A C2 1 ? ? +58002 HETATM O O2 A SQD HC 29 . ? 26.283 -71.747 -29.422 0.40 69.89 ? 410 SQD A O2 1 ? ? +58003 HETATM O O2 B SQD HC 29 . ? 26.190 -71.883 -29.476 0.60 72.25 ? 410 SQD A O2 1 ? ? +58004 HETATM C C3 A SQD HC 29 . ? 27.555 -73.214 -27.914 0.40 70.41 ? 410 SQD A C3 1 ? ? +58005 HETATM C C3 B SQD HC 29 . ? 27.522 -73.267 -27.937 0.60 72.58 ? 410 SQD A C3 1 ? ? +58006 HETATM O O3 A SQD HC 29 . ? 26.385 -73.590 -27.190 0.40 70.90 ? 410 SQD A O3 1 ? ? +58007 HETATM O O3 B SQD HC 29 . ? 26.361 -73.698 -27.229 0.60 73.46 ? 410 SQD A O3 1 ? ? +58008 HETATM C C4 A SQD HC 29 . ? 28.599 -74.340 -27.887 0.40 70.61 ? 410 SQD A C4 1 ? ? +58009 HETATM C C4 B SQD HC 29 . ? 28.630 -74.333 -27.880 0.60 72.46 ? 410 SQD A C4 1 ? ? +58010 HETATM O O4 A SQD HC 29 . ? 29.210 -74.364 -26.603 0.40 70.75 ? 410 SQD A O4 1 ? ? +58011 HETATM O O4 B SQD HC 29 . ? 29.244 -74.278 -26.599 0.60 72.39 ? 410 SQD A O4 1 ? ? +58012 HETATM C C5 A SQD HC 29 . ? 29.723 -74.161 -28.934 0.40 70.17 ? 410 SQD A C5 1 ? ? +58013 HETATM C C5 B SQD HC 29 . ? 29.749 -74.134 -28.932 0.60 71.81 ? 410 SQD A C5 1 ? ? +58014 HETATM C C6 A SQD HC 29 . ? 30.544 -75.403 -29.221 0.40 69.91 ? 410 SQD A C6 1 ? ? +58015 HETATM C C6 B SQD HC 29 . ? 30.594 -75.360 -29.214 0.60 70.97 ? 410 SQD A C6 1 ? ? +58016 HETATM O O5 A SQD HC 29 . ? 29.177 -73.758 -30.195 0.40 70.56 ? 410 SQD A O5 1 ? ? +58017 HETATM O O5 B SQD HC 29 . ? 29.197 -73.738 -30.197 0.60 72.68 ? 410 SQD A O5 1 ? ? +58018 HETATM S S A SQD HC 29 . ? 31.963 -75.125 -30.245 0.40 68.77 ? 410 SQD A S 1 ? ? +58019 HETATM S S B SQD HC 29 . ? 31.929 -75.118 -30.352 0.60 69.19 ? 410 SQD A S 1 ? ? +58020 HETATM O O7 A SQD HC 29 . ? 32.936 -76.071 -29.818 0.40 69.64 ? 410 SQD A O7 1 ? ? +58021 HETATM O O7 B SQD HC 29 . ? 32.579 -76.376 -30.447 0.60 70.00 ? 410 SQD A O7 1 ? ? +58022 HETATM O O8 A SQD HC 29 . ? 31.491 -75.463 -31.674 0.40 68.35 ? 410 SQD A O8 1 ? ? +58023 HETATM O O8 B SQD HC 29 . ? 31.249 -74.817 -31.692 0.60 68.47 ? 410 SQD A O8 1 ? ? +58024 HETATM O O9 A SQD HC 29 . ? 32.290 -73.742 -30.174 0.40 67.99 ? 410 SQD A O9 1 ? ? +58025 HETATM O O9 B SQD HC 29 . ? 32.677 -73.980 -29.932 0.60 68.67 ? 410 SQD A O9 1 ? ? +58026 HETATM MG MG . CLA HD 33 . ? -12.551 -32.052 0.791 1.00 52.24 ? 616 CLA B MG 1 ? ? +58027 HETATM C CHA . CLA HD 33 . ? -13.437 -30.877 3.921 1.00 53.98 ? 616 CLA B CHA 1 ? ? +58028 HETATM C CHB . CLA HD 33 . ? -13.055 -29.000 -0.472 1.00 51.70 ? 616 CLA B CHB 1 ? ? +58029 HETATM C CHC . CLA HD 33 . ? -12.743 -33.452 -2.371 1.00 51.13 ? 616 CLA B CHC 1 ? ? +58030 HETATM C CHD . CLA HD 33 . ? -13.153 -35.485 1.983 1.00 53.39 ? 616 CLA B CHD 1 ? ? +58031 HETATM N NA . CLA HD 33 . ? -13.095 -30.271 1.572 1.00 52.93 ? 616 CLA B NA 1 ? ? +58032 HETATM C C1A . CLA HD 33 . ? -13.246 -29.929 2.824 1.00 53.83 ? 616 CLA B C1A 1 ? ? +58033 HETATM C C2A . CLA HD 33 . ? -13.286 -28.454 3.100 1.00 54.62 ? 616 CLA B C2A 1 ? ? +58034 HETATM C C3A . CLA HD 33 . ? -13.287 -27.898 1.697 1.00 53.39 ? 616 CLA B C3A 1 ? ? +58035 HETATM C C4A . CLA HD 33 . ? -13.141 -29.134 0.854 1.00 52.66 ? 616 CLA B C4A 1 ? ? +58036 HETATM C CMA . CLA HD 33 . ? -14.567 -27.118 1.384 1.00 53.65 ? 616 CLA B CMA 1 ? ? +58037 HETATM C CAA . CLA HD 33 . ? -12.083 -28.016 3.945 1.00 56.41 ? 616 CLA B CAA 1 ? ? +58038 HETATM C CBA . CLA HD 33 . ? -11.919 -26.508 4.211 1.00 58.48 ? 616 CLA B CBA 1 ? ? +58039 HETATM C CGA . CLA HD 33 . ? -13.038 -25.973 5.099 1.00 62.65 ? 616 CLA B CGA 1 ? ? +58040 HETATM O O1A . CLA HD 33 . ? -13.488 -26.602 6.035 1.00 63.75 ? 616 CLA B O1A 1 ? ? +58041 HETATM O O2A . CLA HD 33 . ? -13.610 -24.673 4.837 1.00 69.00 ? 616 CLA B O2A 1 ? ? +58042 HETATM N NB . CLA HD 33 . ? -12.910 -31.386 -1.091 1.00 51.39 ? 616 CLA B NB 1 ? ? +58043 HETATM C C1B . CLA HD 33 . ? -12.985 -30.091 -1.455 1.00 51.18 ? 616 CLA B C1B 1 ? ? +58044 HETATM C C2B . CLA HD 33 . ? -13.148 -29.812 -2.901 1.00 50.56 ? 616 CLA B C2B 1 ? ? +58045 HETATM C C3B . CLA HD 33 . ? -13.066 -31.170 -3.426 1.00 50.52 ? 616 CLA B C3B 1 ? ? +58046 HETATM C C4B . CLA HD 33 . ? -12.852 -32.017 -2.256 1.00 50.96 ? 616 CLA B C4B 1 ? ? +58047 HETATM C CMB . CLA HD 33 . ? -13.323 -28.467 -3.557 1.00 50.20 ? 616 CLA B CMB 1 ? ? +58048 HETATM C CAB . CLA HD 33 . ? -13.090 -31.691 -4.800 1.00 50.23 ? 616 CLA B CAB 1 ? ? +58049 HETATM C CBB . CLA HD 33 . ? -13.074 -30.909 -5.847 1.00 49.84 ? 616 CLA B CBB 1 ? ? +58050 HETATM N NC . CLA HD 33 . ? -12.939 -33.946 0.019 1.00 52.14 ? 616 CLA B NC 1 ? ? +58051 HETATM C C1C . CLA HD 33 . ? -12.845 -34.345 -1.260 1.00 51.66 ? 616 CLA B C1C 1 ? ? +58052 HETATM C C2C . CLA HD 33 . ? -13.027 -35.767 -1.586 1.00 51.95 ? 616 CLA B C2C 1 ? ? +58053 HETATM C C3C . CLA HD 33 . ? -13.138 -36.375 -0.294 1.00 52.60 ? 616 CLA B C3C 1 ? ? +58054 HETATM C C4C . CLA HD 33 . ? -13.007 -35.194 0.579 1.00 52.63 ? 616 CLA B C4C 1 ? ? +58055 HETATM C CMC . CLA HD 33 . ? -13.077 -36.463 -2.903 1.00 51.77 ? 616 CLA B CMC 1 ? ? +58056 HETATM C CAC . CLA HD 33 . ? -13.356 -37.832 0.051 1.00 53.20 ? 616 CLA B CAC 1 ? ? +58057 HETATM C CBC . CLA HD 33 . ? -14.831 -38.195 -0.028 1.00 53.82 ? 616 CLA B CBC 1 ? ? +58058 HETATM N ND . CLA HD 33 . ? -13.103 -33.035 2.502 1.00 53.27 ? 616 CLA B ND 1 ? ? +58059 HETATM C C1D . CLA HD 33 . ? -13.405 -34.395 2.861 1.00 53.73 ? 616 CLA B C1D 1 ? ? +58060 HETATM C C2D . CLA HD 33 . ? -13.653 -34.469 4.316 1.00 54.49 ? 616 CLA B C2D 1 ? ? +58061 HETATM C C3D . CLA HD 33 . ? -13.687 -33.028 4.661 1.00 54.44 ? 616 CLA B C3D 1 ? ? +58062 HETATM C C4D . CLA HD 33 . ? -13.531 -32.260 3.570 1.00 53.88 ? 616 CLA B C4D 1 ? ? +58063 HETATM C CMD . CLA HD 33 . ? -13.894 -35.584 5.280 1.00 55.25 ? 616 CLA B CMD 1 ? ? +58064 HETATM C CAD . CLA HD 33 . ? -13.924 -32.144 5.804 1.00 54.95 ? 616 CLA B CAD 1 ? ? +58065 HETATM O OBD . CLA HD 33 . ? -14.199 -32.563 6.981 1.00 55.69 ? 616 CLA B OBD 1 ? ? +58066 HETATM C CBD . CLA HD 33 . ? -13.786 -30.722 5.361 1.00 54.60 ? 616 CLA B CBD 1 ? ? +58067 HETATM C CGD . CLA HD 33 . ? -15.045 -29.971 5.626 1.00 55.19 ? 616 CLA B CGD 1 ? ? +58068 HETATM O O1D . CLA HD 33 . ? -15.164 -29.373 6.671 1.00 55.45 ? 616 CLA B O1D 1 ? ? +58069 HETATM O O2D . CLA HD 33 . ? -16.149 -29.923 4.698 1.00 55.68 ? 616 CLA B O2D 1 ? ? +58070 HETATM C CED . CLA HD 33 . ? -17.401 -29.457 5.248 1.00 56.59 ? 616 CLA B CED 1 ? ? +58071 HETATM C C1 . CLA HD 33 . ? -14.589 -24.093 5.687 1.00 75.02 ? 616 CLA B C1 1 ? ? +58072 HETATM C C2 . CLA HD 33 . ? -15.869 -24.912 5.767 1.00 81.44 ? 616 CLA B C2 1 ? ? +58073 HETATM C C3 . CLA HD 33 . ? -16.937 -24.794 4.941 1.00 90.31 ? 616 CLA B C3 1 ? ? +58074 HETATM C C4 . CLA HD 33 . ? -18.147 -25.674 5.181 1.00 90.52 ? 616 CLA B C4 1 ? ? +58075 HETATM C C5 . CLA HD 33 . ? -16.991 -23.826 3.771 1.00 97.29 ? 616 CLA B C5 1 ? ? +58076 HETATM C C6 . CLA HD 33 . ? -17.263 -24.592 2.469 1.00 104.56 ? 616 CLA B C6 1 ? ? +58077 HETATM C C7 . CLA HD 33 . ? -18.571 -24.206 1.771 1.00 111.55 ? 616 CLA B C7 1 ? ? +58078 HETATM C C8 . CLA HD 33 . ? -18.591 -24.647 0.294 1.00 117.56 ? 616 CLA B C8 1 ? ? +58079 HETATM C C9 . CLA HD 33 . ? -17.762 -25.810 -0.221 1.00 117.71 ? 616 CLA B C9 1 ? ? +58080 HETATM C C10 . CLA HD 33 . ? -19.589 -23.822 -0.582 1.00 125.21 ? 616 CLA B C10 1 ? ? +58081 HETATM C C11 . CLA HD 33 . ? -20.508 -24.768 -1.400 1.00 131.00 ? 616 CLA B C11 1 ? ? +58082 HETATM C C12 . CLA HD 33 . ? -20.834 -24.192 -2.782 1.00 135.57 ? 616 CLA B C12 1 ? ? +58083 HETATM C C13 . CLA HD 33 . ? -21.978 -24.854 -3.575 1.00 138.37 ? 616 CLA B C13 1 ? ? +58084 HETATM C C14 . CLA HD 33 . ? -23.344 -24.422 -3.035 1.00 137.22 ? 616 CLA B C14 1 ? ? +58085 HETATM C C15 . CLA HD 33 . ? -21.822 -26.384 -3.660 1.00 141.34 ? 616 CLA B C15 1 ? ? +58086 HETATM C C16 . CLA HD 33 . ? -22.294 -26.935 -5.012 1.00 141.96 ? 616 CLA B C16 1 ? ? +58087 HETATM C C17 . CLA HD 33 . ? -21.691 -28.274 -5.477 1.00 140.88 ? 616 CLA B C17 1 ? ? +58088 HETATM C C18 . CLA HD 33 . ? -22.054 -28.388 -6.959 1.00 134.97 ? 616 CLA B C18 1 ? ? +58089 HETATM C C19 . CLA HD 33 . ? -20.987 -28.389 -8.042 1.00 130.25 ? 616 CLA B C19 1 ? ? +58090 HETATM C C20 . CLA HD 33 . ? -23.519 -28.441 -7.341 1.00 135.15 ? 616 CLA B C20 1 ? ? +58091 HETATM MG MG . CLA HE 33 . ? 41.076 -69.877 -52.269 1.00 58.35 ? 511 CLA C MG 1 ? ? +58092 HETATM C CHA . CLA HE 33 . ? 39.332 -71.341 -49.724 1.00 58.66 ? 511 CLA C CHA 1 ? ? +58093 HETATM C CHB . CLA HE 33 . ? 42.535 -67.760 -50.149 1.00 57.95 ? 511 CLA C CHB 1 ? ? +58094 HETATM C CHC . CLA HE 33 . ? 42.060 -67.881 -54.967 1.00 57.89 ? 511 CLA C CHC 1 ? ? +58095 HETATM C CHD . CLA HE 33 . ? 38.922 -71.628 -54.676 1.00 58.38 ? 511 CLA C CHD 1 ? ? +58096 HETATM N NA . CLA HE 33 . ? 40.874 -69.495 -50.310 1.00 58.25 ? 511 CLA C NA 1 ? ? +58097 HETATM C C1A . CLA HE 33 . ? 40.282 -70.238 -49.427 1.00 58.57 ? 511 CLA C C1A 1 ? ? +58098 HETATM C C2A . CLA HE 33 . ? 40.670 -69.928 -48.005 1.00 58.75 ? 511 CLA C C2A 1 ? ? +58099 HETATM C C3A . CLA HE 33 . ? 41.493 -68.671 -48.175 1.00 58.25 ? 511 CLA C C3A 1 ? ? +58100 HETATM C C4A . CLA HE 33 . ? 41.629 -68.598 -49.654 1.00 58.10 ? 511 CLA C C4A 1 ? ? +58101 HETATM C CMA . CLA HE 33 . ? 40.829 -67.428 -47.607 1.00 57.57 ? 511 CLA C CMA 1 ? ? +58102 HETATM C CAA . CLA HE 33 . ? 41.433 -71.100 -47.388 1.00 60.00 ? 511 CLA C CAA 1 ? ? +58103 HETATM C CBA . CLA HE 33 . ? 42.034 -70.836 -46.005 1.00 60.55 ? 511 CLA C CBA 1 ? ? +58104 HETATM C CGA . CLA HE 33 . ? 40.993 -70.821 -44.917 1.00 60.76 ? 511 CLA C CGA 1 ? ? +58105 HETATM O O1A . CLA HE 33 . ? 40.716 -71.784 -44.241 1.00 61.22 ? 511 CLA C O1A 1 ? ? +58106 HETATM O O2A . CLA HE 33 . ? 40.274 -69.637 -44.602 1.00 61.17 ? 511 CLA C O2A 1 ? ? +58107 HETATM N NB . CLA HE 33 . ? 42.040 -68.091 -52.538 1.00 57.83 ? 511 CLA C NB 1 ? ? +58108 HETATM C C1B . CLA HE 33 . ? 42.702 -67.432 -51.567 1.00 57.78 ? 511 CLA C C1B 1 ? ? +58109 HETATM C C2B . CLA HE 33 . ? 43.504 -66.247 -51.967 1.00 57.59 ? 511 CLA C C2B 1 ? ? +58110 HETATM C C3B . CLA HE 33 . ? 43.347 -66.299 -53.414 1.00 57.66 ? 511 CLA C C3B 1 ? ? +58111 HETATM C C4B . CLA HE 33 . ? 42.491 -67.485 -53.637 1.00 57.80 ? 511 CLA C C4B 1 ? ? +58112 HETATM C CMB . CLA HE 33 . ? 44.288 -65.306 -51.095 1.00 57.47 ? 511 CLA C CMB 1 ? ? +58113 HETATM C CAB . CLA HE 33 . ? 43.927 -65.434 -54.476 1.00 57.69 ? 511 CLA C CAB 1 ? ? +58114 HETATM C CBB . CLA HE 33 . ? 44.896 -64.561 -54.283 1.00 57.71 ? 511 CLA C CBB 1 ? ? +58115 HETATM N NC . CLA HE 33 . ? 40.550 -69.736 -54.286 1.00 57.99 ? 511 CLA C NC 1 ? ? +58116 HETATM C C1C . CLA HE 33 . ? 41.109 -68.948 -55.238 1.00 57.91 ? 511 CLA C C1C 1 ? ? +58117 HETATM C C2C . CLA HE 33 . ? 40.668 -69.088 -56.637 1.00 57.93 ? 511 CLA C C2C 1 ? ? +58118 HETATM C C3C . CLA HE 33 . ? 39.758 -70.199 -56.549 1.00 58.23 ? 511 CLA C C3C 1 ? ? +58119 HETATM C C4C . CLA HE 33 . ? 39.806 -70.544 -55.108 1.00 58.19 ? 511 CLA C C4C 1 ? ? +58120 HETATM C CMC . CLA HE 33 . ? 41.060 -68.311 -57.854 1.00 57.86 ? 511 CLA C CMC 1 ? ? +58121 HETATM C CAC . CLA HE 33 . ? 38.965 -70.829 -57.674 1.00 58.53 ? 511 CLA C CAC 1 ? ? +58122 HETATM C CBC . CLA HE 33 . ? 37.613 -70.158 -57.819 1.00 57.97 ? 511 CLA C CBC 1 ? ? +58123 HETATM N ND . CLA HE 33 . ? 39.513 -71.212 -52.267 1.00 58.42 ? 511 CLA C ND 1 ? ? +58124 HETATM C C1D . CLA HE 33 . ? 38.685 -71.829 -53.281 1.00 58.42 ? 511 CLA C C1D 1 ? ? +58125 HETATM C C2D . CLA HE 33 . ? 37.856 -72.884 -52.630 1.00 58.79 ? 511 CLA C C2D 1 ? ? +58126 HETATM C C3D . CLA HE 33 . ? 38.130 -72.619 -51.198 1.00 58.77 ? 511 CLA C C3D 1 ? ? +58127 HETATM C C4D . CLA HE 33 . ? 38.938 -71.558 -51.090 1.00 58.51 ? 511 CLA C C4D 1 ? ? +58128 HETATM C CMD . CLA HE 33 . ? 36.889 -73.950 -53.055 1.00 59.10 ? 511 CLA C CMD 1 ? ? +58129 HETATM C CAD . CLA HE 33 . ? 37.750 -73.060 -49.840 1.00 58.96 ? 511 CLA C CAD 1 ? ? +58130 HETATM O OBD . CLA HE 33 . ? 36.928 -73.997 -49.562 1.00 59.15 ? 511 CLA C OBD 1 ? ? +58131 HETATM C CBD . CLA HE 33 . ? 38.524 -72.244 -48.842 1.00 58.94 ? 511 CLA C CBD 1 ? ? +58132 HETATM C CGD . CLA HE 33 . ? 37.596 -71.471 -47.971 1.00 58.53 ? 511 CLA C CGD 1 ? ? +58133 HETATM O O1D . CLA HE 33 . ? 37.540 -71.593 -46.760 1.00 58.77 ? 511 CLA C O1D 1 ? ? +58134 HETATM O O2D . CLA HE 33 . ? 36.722 -70.536 -48.581 1.00 57.94 ? 511 CLA C O2D 1 ? ? +58135 HETATM C CED . CLA HE 33 . ? 35.913 -69.804 -47.665 1.00 57.67 ? 511 CLA C CED 1 ? ? +58136 HETATM C C1 . CLA HE 33 . ? 38.926 -69.876 -44.205 1.00 62.23 ? 511 CLA C C1 1 ? ? +58137 HETATM C C2 . CLA HE 33 . ? 38.087 -68.715 -44.680 1.00 62.30 ? 511 CLA C C2 1 ? ? +58138 HETATM C C3 . CLA HE 33 . ? 37.694 -67.756 -43.839 1.00 63.17 ? 511 CLA C C3 1 ? ? +58139 HETATM C C4 . CLA HE 33 . ? 38.071 -67.851 -42.398 1.00 63.59 ? 511 CLA C C4 1 ? ? +58140 HETATM C C5 . CLA HE 33 . ? 36.876 -66.579 -44.308 1.00 63.76 ? 511 CLA C C5 1 ? ? +58141 HETATM C C6 . CLA HE 33 . ? 37.173 -66.159 -45.741 1.00 64.81 ? 511 CLA C C6 1 ? ? +58142 HETATM C C7 . CLA HE 33 . ? 36.502 -64.825 -46.031 1.00 65.17 ? 511 CLA C C7 1 ? ? +58143 HETATM C C8 . CLA HE 33 . ? 36.438 -64.405 -47.504 1.00 66.65 ? 511 CLA C C8 1 ? ? +58144 HETATM C C9 . CLA HE 33 . ? 36.630 -62.921 -47.824 1.00 67.32 ? 511 CLA C C9 1 ? ? +58145 HETATM C C10 . CLA HE 33 . ? 36.403 -65.542 -48.571 1.00 67.48 ? 511 CLA C C10 1 ? ? +58146 HETATM C C11 . CLA HE 33 . ? 37.059 -65.137 -49.895 1.00 67.71 ? 511 CLA C C11 1 ? ? +58147 HETATM C C12 . CLA HE 33 . ? 38.296 -66.001 -50.075 1.00 68.75 ? 511 CLA C C12 1 ? ? +58148 HETATM C C13 . CLA HE 33 . ? 38.427 -66.747 -51.393 1.00 69.36 ? 511 CLA C C13 1 ? ? +58149 HETATM C C14 . CLA HE 33 . ? 39.307 -65.950 -52.352 1.00 69.67 ? 511 CLA C C14 1 ? ? +58150 HETATM C C15 . CLA HE 33 . ? 37.068 -67.080 -51.979 1.00 69.55 ? 511 CLA C C15 1 ? ? +58151 HETATM C C16 . CLA HE 33 . ? 36.954 -68.550 -52.354 1.00 70.89 ? 511 CLA C C16 1 ? ? +58152 HETATM C C17 . CLA HE 33 . ? 36.206 -68.598 -53.679 1.00 71.74 ? 511 CLA C C17 1 ? ? +58153 HETATM C C18 . CLA HE 33 . ? 35.076 -69.609 -53.856 1.00 72.74 ? 511 CLA C C18 1 ? ? +58154 HETATM C C19 . CLA HE 33 . ? 35.038 -70.345 -55.189 1.00 73.56 ? 511 CLA C C19 1 ? ? +58155 HETATM C C20 . CLA HE 33 . ? 34.166 -70.046 -52.710 1.00 72.84 ? 511 CLA C C20 1 ? ? +58156 HETATM O O1 A LHG HF 39 . ? 10.925 -81.830 -27.811 0.40 93.44 ? 101 LHG E O1 1 ? ? +58157 HETATM O O1 B LHG HF 39 . ? 10.823 -82.013 -27.911 0.60 111.83 ? 101 LHG E O1 1 ? ? +58158 HETATM C C1 A LHG HF 39 . ? 12.019 -82.501 -28.431 0.40 93.55 ? 101 LHG E C1 1 ? ? +58159 HETATM C C1 B LHG HF 39 . ? 12.045 -82.553 -28.406 0.60 112.44 ? 101 LHG E C1 1 ? ? +58160 HETATM C C2 A LHG HF 39 . ? 12.570 -81.714 -29.602 0.40 92.78 ? 101 LHG E C2 1 ? ? +58161 HETATM C C2 B LHG HF 39 . ? 12.536 -81.804 -29.629 0.60 112.11 ? 101 LHG E C2 1 ? ? +58162 HETATM O O2 A LHG HF 39 . ? 11.630 -81.722 -30.676 0.40 92.52 ? 101 LHG E O2 1 ? ? +58163 HETATM O O2 B LHG HF 39 . ? 11.598 -81.957 -30.693 0.60 111.64 ? 101 LHG E O2 1 ? ? +58164 HETATM C C3 A LHG HF 39 . ? 13.901 -82.241 -30.098 0.40 92.64 ? 101 LHG E C3 1 ? ? +58165 HETATM C C3 B LHG HF 39 . ? 13.907 -82.256 -30.091 0.60 112.09 ? 101 LHG E C3 1 ? ? +58166 HETATM O O3 A LHG HF 39 . ? 14.073 -82.007 -31.528 0.40 91.61 ? 101 LHG E O3 1 ? ? +58167 HETATM O O3 B LHG HF 39 . ? 14.082 -82.071 -31.532 0.60 110.91 ? 101 LHG E O3 1 ? ? +58168 HETATM P P A LHG HF 39 . ? 15.555 -81.990 -32.155 0.40 90.58 ? 101 LHG E P 1 ? ? +58169 HETATM P P B LHG HF 39 . ? 15.560 -81.997 -32.166 0.60 109.28 ? 101 LHG E P 1 ? ? +58170 HETATM O O4 A LHG HF 39 . ? 16.535 -81.982 -31.014 0.40 91.24 ? 101 LHG E O4 1 ? ? +58171 HETATM O O4 B LHG HF 39 . ? 16.579 -82.060 -31.059 0.60 110.12 ? 101 LHG E O4 1 ? ? +58172 HETATM O O5 A LHG HF 39 . ? 15.657 -83.065 -33.202 0.40 90.60 ? 101 LHG E O5 1 ? ? +58173 HETATM O O5 B LHG HF 39 . ? 15.652 -82.989 -33.293 0.60 108.63 ? 101 LHG E O5 1 ? ? +58174 HETATM O O6 A LHG HF 39 . ? 15.598 -80.572 -32.914 0.40 89.31 ? 101 LHG E O6 1 ? ? +58175 HETATM O O6 B LHG HF 39 . ? 15.560 -80.529 -32.826 0.60 108.24 ? 101 LHG E O6 1 ? ? +58176 HETATM C C4 A LHG HF 39 . ? 16.741 -79.689 -32.742 0.40 88.56 ? 101 LHG E C4 1 ? ? +58177 HETATM C C4 B LHG HF 39 . ? 16.744 -79.690 -32.727 0.60 107.57 ? 101 LHG E C4 1 ? ? +58178 HETATM C C5 A LHG HF 39 . ? 16.475 -78.341 -33.376 0.40 87.99 ? 101 LHG E C5 1 ? ? +58179 HETATM C C5 B LHG HF 39 . ? 16.530 -78.334 -33.369 0.60 107.54 ? 101 LHG E C5 1 ? ? +58180 HETATM C C6 A LHG HF 39 . ? 17.664 -77.776 -34.121 0.40 88.48 ? 101 LHG E C6 1 ? ? +58181 HETATM C C6 B LHG HF 39 . ? 17.775 -77.795 -34.040 0.60 109.02 ? 101 LHG E C6 1 ? ? +58182 HETATM O O7 A LHG HF 39 . ? 15.388 -78.427 -34.340 0.40 87.04 ? 101 LHG E O7 1 ? ? +58183 HETATM O O7 B LHG HF 39 . ? 15.498 -78.362 -34.401 0.60 105.98 ? 101 LHG E O7 1 ? ? +58184 HETATM C C7 A LHG HF 39 . ? 14.359 -77.574 -34.202 0.40 85.55 ? 101 LHG E C7 1 ? ? +58185 HETATM C C7 B LHG HF 39 . ? 14.314 -77.765 -34.163 0.60 103.90 ? 101 LHG E C7 1 ? ? +58186 HETATM O O9 A LHG HF 39 . ? 14.235 -76.879 -33.227 0.40 86.21 ? 101 LHG E O9 1 ? ? +58187 HETATM O O9 B LHG HF 39 . ? 13.981 -77.375 -33.072 0.60 104.93 ? 101 LHG E O9 1 ? ? +58188 HETATM C C8 A LHG HF 39 . ? 13.450 -77.500 -35.398 0.40 84.16 ? 101 LHG E C8 1 ? ? +58189 HETATM C C8 B LHG HF 39 . ? 13.478 -77.556 -35.402 0.60 101.58 ? 101 LHG E C8 1 ? ? +58190 HETATM C C9 A LHG HF 39 . ? 13.354 -76.117 -35.972 0.40 82.35 ? 101 LHG E C9 1 ? ? +58191 HETATM C C9 B LHG HF 39 . ? 13.339 -76.106 -35.793 0.60 99.13 ? 101 LHG E C9 1 ? ? +58192 HETATM C C10 A LHG HF 39 . ? 12.087 -75.892 -36.787 0.40 81.24 ? 101 LHG E C10 1 ? ? +58193 HETATM C C10 B LHG HF 39 . ? 12.137 -75.830 -36.691 0.60 97.41 ? 101 LHG E C10 1 ? ? +58194 HETATM O O8 A LHG HF 39 . ? 18.384 -76.873 -33.254 0.40 89.41 ? 101 LHG E O8 1 ? ? +58195 HETATM O O8 B LHG HF 39 . ? 18.365 -76.782 -33.190 0.60 111.23 ? 101 LHG E O8 1 ? ? +58196 HETATM C C23 A LHG HF 39 . ? 18.513 -75.612 -33.664 0.40 90.47 ? 101 LHG E C23 1 ? ? +58197 HETATM C C23 B LHG HF 39 . ? 18.560 -75.538 -33.645 0.60 114.37 ? 101 LHG E C23 1 ? ? +58198 HETATM O O10 A LHG HF 39 . ? 19.169 -74.797 -33.070 0.40 90.45 ? 101 LHG E O10 1 ? ? +58199 HETATM O O10 B LHG HF 39 . ? 19.222 -74.734 -33.043 0.60 114.95 ? 101 LHG E O10 1 ? ? +58200 HETATM C C24 A LHG HF 39 . ? 17.724 -75.325 -34.917 0.40 91.20 ? 101 LHG E C24 1 ? ? +58201 HETATM C C24 B LHG HF 39 . ? 17.825 -75.191 -34.926 0.60 116.00 ? 101 LHG E C24 1 ? ? +58202 HETATM C C11 A LHG HF 39 . ? 10.808 -76.204 -36.048 0.40 81.00 ? 101 LHG E C11 1 ? ? +58203 HETATM C C11 B LHG HF 39 . ? 10.803 -76.195 -36.076 0.60 97.23 ? 101 LHG E C11 1 ? ? +58204 HETATM C C12 A LHG HF 39 . ? 9.572 -75.542 -36.619 0.40 79.75 ? 101 LHG E C12 1 ? ? +58205 HETATM C C12 B LHG HF 39 . ? 9.606 -75.457 -36.640 0.60 95.28 ? 101 LHG E C12 1 ? ? +58206 HETATM C C13 A LHG HF 39 . ? 8.338 -75.702 -35.762 0.40 79.39 ? 101 LHG E C13 1 ? ? +58207 HETATM C C13 B LHG HF 39 . ? 8.325 -75.706 -35.872 0.60 94.70 ? 101 LHG E C13 1 ? ? +58208 HETATM C C14 A LHG HF 39 . ? 7.161 -74.864 -36.196 0.40 78.75 ? 101 LHG E C14 1 ? ? +58209 HETATM C C14 B LHG HF 39 . ? 7.162 -74.830 -36.275 0.60 94.27 ? 101 LHG E C14 1 ? ? +58210 HETATM C C15 A LHG HF 39 . ? 7.204 -73.438 -35.707 0.40 77.69 ? 101 LHG E C15 1 ? ? +58211 HETATM C C15 B LHG HF 39 . ? 7.226 -73.424 -35.731 0.60 93.45 ? 101 LHG E C15 1 ? ? +58212 HETATM C C16 A LHG HF 39 . ? 5.853 -72.773 -35.632 0.40 77.56 ? 101 LHG E C16 1 ? ? +58213 HETATM C C16 B LHG HF 39 . ? 5.878 -72.765 -35.553 0.60 93.95 ? 101 LHG E C16 1 ? ? +58214 HETATM C C17 A LHG HF 39 . ? 5.889 -71.342 -35.149 0.40 76.26 ? 101 LHG E C17 1 ? ? +58215 HETATM C C17 B LHG HF 39 . ? 5.935 -71.305 -35.156 0.60 92.25 ? 101 LHG E C17 1 ? ? +58216 HETATM C C18 A LHG HF 39 . ? 6.607 -71.152 -33.836 0.40 75.47 ? 101 LHG E C18 1 ? ? +58217 HETATM C C18 B LHG HF 39 . ? 6.731 -71.025 -33.901 0.60 90.71 ? 101 LHG E C18 1 ? ? +58218 HETATM C C19 A LHG HF 39 . ? 6.683 -69.715 -33.374 0.40 74.03 ? 101 LHG E C19 1 ? ? +58219 HETATM C C19 B LHG HF 39 . ? 6.715 -69.578 -33.461 0.60 88.22 ? 101 LHG E C19 1 ? ? +58220 HETATM C C20 A LHG HF 39 . ? 5.466 -69.249 -32.619 0.40 73.68 ? 101 LHG E C20 1 ? ? +58221 HETATM C C20 B LHG HF 39 . ? 5.506 -69.194 -32.650 0.60 87.50 ? 101 LHG E C20 1 ? ? +58222 HETATM C C21 A LHG HF 39 . ? 5.579 -67.869 -32.029 0.40 72.55 ? 101 LHG E C21 1 ? ? +58223 HETATM C C21 B LHG HF 39 . ? 5.587 -67.843 -31.989 0.60 85.77 ? 101 LHG E C21 1 ? ? +58224 HETATM C C22 A LHG HF 39 . ? 5.415 -66.770 -33.049 0.40 71.64 ? 101 LHG E C22 1 ? ? +58225 HETATM C C22 B LHG HF 39 . ? 5.293 -66.698 -32.924 0.60 84.42 ? 101 LHG E C22 1 ? ? +58226 HETATM C C25 A LHG HF 39 . ? 16.829 -74.118 -34.797 0.40 91.32 ? 101 LHG E C25 1 ? ? +58227 HETATM C C25 B LHG HF 39 . ? 16.932 -73.982 -34.798 0.60 116.90 ? 101 LHG E C25 1 ? ? +58228 HETATM C C26 A LHG HF 39 . ? 17.008 -73.119 -35.936 0.40 91.18 ? 101 LHG E C26 1 ? ? +58229 HETATM C C26 B LHG HF 39 . ? 17.028 -73.028 -35.985 0.60 117.14 ? 101 LHG E C26 1 ? ? +58230 HETATM C C27 A LHG HF 39 . ? 17.656 -71.808 -35.535 0.40 90.55 ? 101 LHG E C27 1 ? ? +58231 HETATM C C27 B LHG HF 39 . ? 17.660 -71.682 -35.674 0.60 116.39 ? 101 LHG E C27 1 ? ? +58232 HETATM C C28 A LHG HF 39 . ? 16.684 -70.707 -35.163 0.40 90.67 ? 101 LHG E C28 1 ? ? +58233 HETATM C C28 B LHG HF 39 . ? 16.692 -70.609 -35.215 0.60 117.32 ? 101 LHG E C28 1 ? ? +58234 HETATM C C29 A LHG HF 39 . ? 15.651 -70.391 -36.223 0.40 90.79 ? 101 LHG E C29 1 ? ? +58235 HETATM C C29 B LHG HF 39 . ? 15.672 -70.184 -36.254 0.60 118.15 ? 101 LHG E C29 1 ? ? +58236 HETATM C C30 A LHG HF 39 . ? 14.573 -69.426 -35.781 0.40 90.87 ? 101 LHG E C30 1 ? ? +58237 HETATM C C30 B LHG HF 39 . ? 14.503 -69.396 -35.701 0.60 119.04 ? 101 LHG E C30 1 ? ? +58238 HETATM C C31 A LHG HF 39 . ? 13.517 -69.147 -36.828 0.40 90.33 ? 101 LHG E C31 1 ? ? +58239 HETATM C C31 B LHG HF 39 . ? 13.334 -69.256 -36.652 0.60 117.71 ? 101 LHG E C31 1 ? ? +58240 HETATM CL CL A CL HG 45 . ? -1.174 18.161 -16.347 0.40 46.40 ? 402 CL a CL 1 ? ? +58241 HETATM CL CL B CL HG 45 . ? -1.075 18.100 -16.213 0.60 50.72 ? 402 CL a CL 1 ? ? +58242 HETATM MG MG . CLA HH 33 . ? 49.457 -3.238 -2.077 1.00 62.21 ? 610 CLA b MG 1 ? ? +58243 HETATM C CHA . CLA HH 33 . ? 49.816 -4.929 -5.083 1.00 58.44 ? 610 CLA b CHA 1 ? ? +58244 HETATM C CHB . CLA HH 33 . ? 48.875 -0.424 -3.744 1.00 58.99 ? 610 CLA b CHB 1 ? ? +58245 HETATM C CHC . CLA HH 33 . ? 49.966 -1.530 0.879 1.00 60.29 ? 610 CLA b CHC 1 ? ? +58246 HETATM C CHD . CLA HH 33 . ? 51.132 -6.070 -0.455 1.00 60.22 ? 610 CLA b CHD 1 ? ? +58247 HETATM N NA . CLA HH 33 . ? 49.327 -2.769 -4.039 1.00 59.64 ? 610 CLA b NA 1 ? ? +58248 HETATM C C1A . CLA HH 33 . ? 49.328 -3.547 -5.071 1.00 58.77 ? 610 CLA b C1A 1 ? ? +58249 HETATM C C2A . CLA HH 33 . ? 48.810 -2.920 -6.310 1.00 58.37 ? 610 CLA b C2A 1 ? ? +58250 HETATM C C3A . CLA HH 33 . ? 48.703 -1.481 -5.919 1.00 58.44 ? 610 CLA b C3A 1 ? ? +58251 HETATM C C4A . CLA HH 33 . ? 48.996 -1.537 -4.465 1.00 59.00 ? 610 CLA b C4A 1 ? ? +58252 HETATM C CMA . CLA HH 33 . ? 49.668 -0.607 -6.672 1.00 59.06 ? 610 CLA b CMA 1 ? ? +58253 HETATM C CAA . CLA HH 33 . ? 47.421 -3.467 -6.644 1.00 58.02 ? 610 CLA b CAA 1 ? ? +58254 HETATM C CBA . CLA HH 33 . ? 46.881 -2.880 -7.954 1.00 57.95 ? 610 CLA b CBA 1 ? ? +58255 HETATM C CGA . CLA HH 33 . ? 46.993 -3.944 -8.996 1.00 58.20 ? 610 CLA b CGA 1 ? ? +58256 HETATM O O1A . CLA HH 33 . ? 47.026 -5.087 -8.627 1.00 58.90 ? 610 CLA b O1A 1 ? ? +58257 HETATM O O2A . CLA HH 33 . ? 47.088 -3.714 -10.415 1.00 58.43 ? 610 CLA b O2A 1 ? ? +58258 HETATM N NB . CLA HH 33 . ? 49.522 -1.296 -1.498 1.00 60.03 ? 610 CLA b NB 1 ? ? +58259 HETATM C C1B . CLA HH 33 . ? 49.125 -0.286 -2.303 1.00 59.43 ? 610 CLA b C1B 1 ? ? +58260 HETATM C C2B . CLA HH 33 . ? 49.093 1.042 -1.685 1.00 59.51 ? 610 CLA b C2B 1 ? ? +58261 HETATM C C3B . CLA HH 33 . ? 49.447 0.715 -0.306 1.00 59.94 ? 610 CLA b C3B 1 ? ? +58262 HETATM C C4B . CLA HH 33 . ? 49.596 -0.750 -0.282 1.00 59.90 ? 610 CLA b C4B 1 ? ? +58263 HETATM C CMB . CLA HH 33 . ? 48.795 2.374 -2.319 1.00 59.37 ? 610 CLA b CMB 1 ? ? +58264 HETATM C CAB . CLA HH 33 . ? 49.465 1.724 0.772 1.00 60.39 ? 610 CLA b CAB 1 ? ? +58265 HETATM C CBB . CLA HH 33 . ? 49.307 1.401 2.041 1.00 60.64 ? 610 CLA b CBB 1 ? ? +58266 HETATM N NC . CLA HH 33 . ? 50.409 -3.682 -0.291 1.00 60.53 ? 610 CLA b NC 1 ? ? +58267 HETATM C C1C . CLA HH 33 . ? 50.402 -2.912 0.821 1.00 60.47 ? 610 CLA b C1C 1 ? ? +58268 HETATM C C2C . CLA HH 33 . ? 50.997 -3.464 2.037 1.00 60.94 ? 610 CLA b C2C 1 ? ? +58269 HETATM C C3C . CLA HH 33 . ? 51.343 -4.810 1.644 1.00 61.01 ? 610 CLA b C3C 1 ? ? +58270 HETATM C C4C . CLA HH 33 . ? 50.896 -4.834 0.254 1.00 60.46 ? 610 CLA b C4C 1 ? ? +58271 HETATM C CMC . CLA HH 33 . ? 51.224 -2.798 3.351 1.00 61.61 ? 610 CLA b CMC 1 ? ? +58272 HETATM C CAC . CLA HH 33 . ? 52.038 -5.896 2.433 1.00 61.71 ? 610 CLA b CAC 1 ? ? +58273 HETATM C CBC . CLA HH 33 . ? 51.082 -6.612 3.351 1.00 61.40 ? 610 CLA b CBC 1 ? ? +58274 HETATM N ND . CLA HH 33 . ? 50.249 -5.056 -2.583 1.00 59.74 ? 610 CLA b ND 1 ? ? +58275 HETATM C C1D . CLA HH 33 . ? 50.948 -6.099 -1.870 1.00 59.77 ? 610 CLA b C1D 1 ? ? +58276 HETATM C C2D . CLA HH 33 . ? 51.141 -7.288 -2.744 1.00 59.39 ? 610 CLA b C2D 1 ? ? +58277 HETATM C C3D . CLA HH 33 . ? 50.683 -6.767 -4.037 1.00 58.73 ? 610 CLA b C3D 1 ? ? +58278 HETATM C C4D . CLA HH 33 . ? 50.345 -5.492 -3.876 1.00 59.00 ? 610 CLA b C4D 1 ? ? +58279 HETATM C CMD . CLA HH 33 . ? 51.713 -8.663 -2.566 1.00 59.74 ? 610 CLA b CMD 1 ? ? +58280 HETATM C CAD . CLA HH 33 . ? 50.587 -7.081 -5.472 1.00 58.22 ? 610 CLA b CAD 1 ? ? +58281 HETATM O OBD . CLA HH 33 . ? 50.887 -8.179 -6.052 1.00 58.07 ? 610 CLA b OBD 1 ? ? +58282 HETATM C CBD . CLA HH 33 . ? 50.013 -5.902 -6.177 1.00 58.02 ? 610 CLA b CBD 1 ? ? +58283 HETATM C CGD . CLA HH 33 . ? 50.984 -5.450 -7.193 1.00 58.38 ? 610 CLA b CGD 1 ? ? +58284 HETATM O O1D . CLA HH 33 . ? 50.703 -5.501 -8.357 1.00 58.14 ? 610 CLA b O1D 1 ? ? +58285 HETATM O O2D . CLA HH 33 . ? 52.295 -4.983 -6.823 1.00 59.52 ? 610 CLA b O2D 1 ? ? +58286 HETATM C CED . CLA HH 33 . ? 53.103 -4.391 -7.824 1.00 59.82 ? 610 CLA b CED 1 ? ? +58287 HETATM C C1 . CLA HH 33 . ? 47.431 -4.836 -11.246 1.00 58.23 ? 610 CLA b C1 1 ? ? +58288 HETATM C C2 . CLA HH 33 . ? 48.902 -4.867 -11.637 1.00 58.89 ? 610 CLA b C2 1 ? ? +58289 HETATM C C3 . CLA HH 33 . ? 49.259 -4.867 -12.941 1.00 58.84 ? 610 CLA b C3 1 ? ? +58290 HETATM C C4 . CLA HH 33 . ? 48.192 -4.799 -13.994 1.00 58.11 ? 610 CLA b C4 1 ? ? +58291 HETATM C C5 . CLA HH 33 . ? 50.711 -4.931 -13.406 1.00 59.46 ? 610 CLA b C5 1 ? ? +58292 HETATM C C6 . CLA HH 33 . ? 51.049 -6.290 -13.999 1.00 59.35 ? 610 CLA b C6 1 ? ? +58293 HETATM C C7 . CLA HH 33 . ? 50.712 -7.421 -13.038 1.00 59.37 ? 610 CLA b C7 1 ? ? +58294 HETATM C C8 . CLA HH 33 . ? 51.842 -7.935 -12.142 1.00 60.61 ? 610 CLA b C8 1 ? ? +58295 HETATM C C9 . CLA HH 33 . ? 53.341 -7.612 -12.267 1.00 61.33 ? 610 CLA b C9 1 ? ? +58296 HETATM C C10 . CLA HH 33 . ? 51.457 -8.787 -10.922 1.00 61.07 ? 610 CLA b C10 1 ? ? +58297 HETATM C C11 . CLA HH 33 . ? 50.029 -8.606 -10.415 1.00 60.66 ? 610 CLA b C11 1 ? ? +58298 HETATM C C12 . CLA HH 33 . ? 49.849 -9.368 -9.104 1.00 61.39 ? 610 CLA b C12 1 ? ? +58299 HETATM C C13 . CLA HH 33 . ? 48.395 -9.560 -8.709 1.00 61.41 ? 610 CLA b C13 1 ? ? +58300 HETATM C C14 . CLA HH 33 . ? 47.595 -8.307 -9.005 1.00 61.32 ? 610 CLA b C14 1 ? ? +58301 HETATM C C15 . CLA HH 33 . ? 48.218 -9.797 -7.220 1.00 62.51 ? 610 CLA b C15 1 ? ? +58302 HETATM C C16 . CLA HH 33 . ? 48.635 -11.172 -6.745 1.00 63.64 ? 610 CLA b C16 1 ? ? +58303 HETATM C C17 . CLA HH 33 . ? 47.659 -11.716 -5.689 1.00 64.00 ? 610 CLA b C17 1 ? ? +58304 HETATM C C18 . CLA HH 33 . ? 47.893 -11.269 -4.229 1.00 65.30 ? 610 CLA b C18 1 ? ? +58305 HETATM C C19 . CLA HH 33 . ? 47.878 -12.312 -3.107 1.00 65.89 ? 610 CLA b C19 1 ? ? +58306 HETATM C C20 . CLA HH 33 . ? 48.313 -9.896 -3.825 1.00 65.87 ? 610 CLA b C20 1 ? ? +58307 HETATM MG MG . CLA HI 33 . ? -27.807 11.092 26.789 1.00 71.34 ? 507 CLA c MG 1 ? ? +58308 HETATM C CHA . CLA HI 33 . ? -28.206 7.678 26.752 1.00 71.70 ? 507 CLA c CHA 1 ? ? +58309 HETATM C CHB . CLA HI 33 . ? -24.412 10.614 26.827 1.00 69.73 ? 507 CLA c CHB 1 ? ? +58310 HETATM C CHC . CLA HI 33 . ? -27.244 14.255 25.320 1.00 70.39 ? 507 CLA c CHC 1 ? ? +58311 HETATM C CHD . CLA HI 33 . ? -31.163 11.370 25.383 1.00 72.53 ? 507 CLA c CHD 1 ? ? +58312 HETATM N NA . CLA HI 33 . ? -26.553 9.501 26.806 1.00 71.07 ? 507 CLA c NA 1 ? ? +58313 HETATM C C1A . CLA HI 33 . ? -26.855 8.243 26.900 1.00 71.47 ? 507 CLA c C1A 1 ? ? +58314 HETATM C C2A . CLA HI 33 . ? -25.731 7.352 27.355 1.00 71.68 ? 507 CLA c C2A 1 ? ? +58315 HETATM C C3A . CLA HI 33 . ? -24.600 8.328 27.550 1.00 70.81 ? 507 CLA c C3A 1 ? ? +58316 HETATM C C4A . CLA HI 33 . ? -25.214 9.576 27.003 1.00 70.57 ? 507 CLA c C4A 1 ? ? +58317 HETATM C CMA . CLA HI 33 . ? -24.206 8.497 29.007 1.00 71.32 ? 507 CLA c CMA 1 ? ? +58318 HETATM C CAA . CLA HI 33 . ? -25.423 6.282 26.322 1.00 72.15 ? 507 CLA c CAA 1 ? ? +58319 HETATM C CBA . CLA HI 33 . ? -24.762 6.929 25.106 1.00 72.78 ? 507 CLA c CBA 1 ? ? +58320 HETATM C CGA . CLA HI 33 . ? -24.532 6.009 23.933 1.00 73.85 ? 507 CLA c CGA 1 ? ? +58321 HETATM O O1A . CLA HI 33 . ? -24.383 4.801 24.022 1.00 73.96 ? 507 CLA c O1A 1 ? ? +58322 HETATM O O2A . CLA HI 33 . ? -24.499 6.663 22.651 1.00 76.65 ? 507 CLA c O2A 1 ? ? +58323 HETATM N NB . CLA HI 33 . ? -26.154 12.195 26.147 1.00 69.98 ? 507 CLA c NB 1 ? ? +58324 HETATM C C1B . CLA HI 33 . ? -24.850 11.916 26.332 1.00 69.39 ? 507 CLA c C1B 1 ? ? +58325 HETATM C C2B . CLA HI 33 . ? -23.843 12.911 25.882 1.00 68.68 ? 507 CLA c C2B 1 ? ? +58326 HETATM C C3B . CLA HI 33 . ? -24.702 13.980 25.418 1.00 68.76 ? 507 CLA c C3B 1 ? ? +58327 HETATM C C4B . CLA HI 33 . ? -26.064 13.463 25.679 1.00 69.72 ? 507 CLA c C4B 1 ? ? +58328 HETATM C CMB . CLA HI 33 . ? -22.341 12.808 25.944 1.00 68.02 ? 507 CLA c CMB 1 ? ? +58329 HETATM C CAB . CLA HI 33 . ? -24.359 15.316 24.859 1.00 68.39 ? 507 CLA c CAB 1 ? ? +58330 HETATM C CBB . CLA HI 33 . ? -23.143 15.817 24.753 1.00 67.83 ? 507 CLA c CBB 1 ? ? +58331 HETATM N NC . CLA HI 33 . ? -28.910 12.440 25.603 1.00 71.34 ? 507 CLA c NC 1 ? ? +58332 HETATM C C1C . CLA HI 33 . ? -28.583 13.695 25.210 1.00 71.02 ? 507 CLA c C1C 1 ? ? +58333 HETATM C C2C . CLA HI 33 . ? -29.599 14.501 24.489 1.00 71.35 ? 507 CLA c C2C 1 ? ? +58334 HETATM C C3C . CLA HI 33 . ? -30.771 13.656 24.503 1.00 71.90 ? 507 CLA c C3C 1 ? ? +58335 HETATM C C4C . CLA HI 33 . ? -30.244 12.485 25.248 1.00 71.91 ? 507 CLA c C4C 1 ? ? +58336 HETATM C CMC . CLA HI 33 . ? -29.500 15.881 23.919 1.00 71.28 ? 507 CLA c CMC 1 ? ? +58337 HETATM C CAC . CLA HI 33 . ? -32.158 13.969 23.968 1.00 72.39 ? 507 CLA c CAC 1 ? ? +58338 HETATM C CBC . CLA HI 33 . ? -32.498 13.300 22.669 1.00 71.94 ? 507 CLA c CBC 1 ? ? +58339 HETATM N ND . CLA HI 33 . ? -29.190 9.856 25.912 1.00 71.65 ? 507 CLA c ND 1 ? ? +58340 HETATM C C1D . CLA HI 33 . ? -30.650 10.086 25.797 1.00 72.40 ? 507 CLA c C1D 1 ? ? +58341 HETATM C C2D . CLA HI 33 . ? -31.482 8.850 25.951 1.00 72.86 ? 507 CLA c C2D 1 ? ? +58342 HETATM C C3D . CLA HI 33 . ? -30.421 7.927 26.353 1.00 72.43 ? 507 CLA c C3D 1 ? ? +58343 HETATM C C4D . CLA HI 33 . ? -29.260 8.589 26.435 1.00 71.91 ? 507 CLA c C4D 1 ? ? +58344 HETATM C CMD . CLA HI 33 . ? -32.929 8.451 25.803 1.00 73.50 ? 507 CLA c CMD 1 ? ? +58345 HETATM C CAD . CLA HI 33 . ? -30.216 6.525 26.754 1.00 72.59 ? 507 CLA c CAD 1 ? ? +58346 HETATM O OBD . CLA HI 33 . ? -31.127 5.630 26.854 1.00 73.31 ? 507 CLA c OBD 1 ? ? +58347 HETATM C CBD . CLA HI 33 . ? -28.778 6.341 27.088 1.00 72.01 ? 507 CLA c CBD 1 ? ? +58348 HETATM C CGD . CLA HI 33 . ? -28.707 6.158 28.569 1.00 72.69 ? 507 CLA c CGD 1 ? ? +58349 HETATM O O1D . CLA HI 33 . ? -28.185 5.198 29.109 1.00 72.64 ? 507 CLA c O1D 1 ? ? +58350 HETATM O O2D . CLA HI 33 . ? -29.309 7.190 29.386 1.00 73.42 ? 507 CLA c O2D 1 ? ? +58351 HETATM C CED . CLA HI 33 . ? -29.557 7.005 30.777 1.00 74.35 ? 507 CLA c CED 1 ? ? +58352 HETATM C C1 . CLA HI 33 . ? -23.971 6.073 21.480 1.00 79.09 ? 507 CLA c C1 1 ? ? +58353 HETATM C C2 . CLA HI 33 . ? -25.089 5.924 20.482 1.00 82.39 ? 507 CLA c C2 1 ? ? +58354 HETATM C C3 . CLA HI 33 . ? -25.620 4.732 20.199 1.00 87.88 ? 507 CLA c C3 1 ? ? +58355 HETATM C C4 . CLA HI 33 . ? -25.132 3.484 20.872 1.00 86.77 ? 507 CLA c C4 1 ? ? +58356 HETATM C C5 . CLA HI 33 . ? -26.744 4.643 19.189 1.00 95.20 ? 507 CLA c C5 1 ? ? +58357 HETATM C C6 . CLA HI 33 . ? -26.202 4.341 17.791 1.00 100.33 ? 507 CLA c C6 1 ? ? +58358 HETATM C C7 . CLA HI 33 . ? -25.660 5.620 17.168 1.00 105.91 ? 507 CLA c C7 1 ? ? +58359 HETATM C C8 . CLA HI 33 . ? -24.944 5.468 15.818 1.00 111.83 ? 507 CLA c C8 1 ? ? +58360 HETATM C C9 . CLA HI 33 . ? -24.842 4.128 15.069 1.00 111.43 ? 507 CLA c C9 1 ? ? +58361 HETATM C C10 . CLA HI 33 . ? -24.574 6.902 15.267 1.00 116.55 ? 507 CLA c C10 1 ? ? +58362 HETATM C C11 . CLA HI 33 . ? -24.929 7.387 13.850 1.00 118.57 ? 507 CLA c C11 1 ? ? +58363 HETATM C C12 . CLA HI 33 . ? -24.398 8.836 13.757 1.00 120.51 ? 507 CLA c C12 1 ? ? +58364 HETATM C C13 . CLA HI 33 . ? -23.928 9.360 12.390 1.00 117.33 ? 507 CLA c C13 1 ? ? +58365 HETATM C C14 . CLA HI 33 . ? -22.628 8.695 11.960 1.00 115.32 ? 507 CLA c C14 1 ? ? +58366 HETATM C C15 . CLA HI 33 . ? -23.659 10.869 12.399 1.00 113.33 ? 507 CLA c C15 1 ? ? +58367 HETATM C C16 . CLA HI 33 . ? -24.874 11.689 12.830 1.00 110.64 ? 507 CLA c C16 1 ? ? +58368 HETATM C C17 . CLA HI 33 . ? -25.771 11.962 11.635 1.00 108.73 ? 507 CLA c C17 1 ? ? +58369 HETATM C C18 . CLA HI 33 . ? -27.230 11.472 11.682 1.00 110.25 ? 507 CLA c C18 1 ? ? +58370 HETATM C C19 . CLA HI 33 . ? -27.789 10.931 10.370 1.00 108.42 ? 507 CLA c C19 1 ? ? +58371 HETATM C C20 . CLA HI 33 . ? -28.071 11.339 12.967 1.00 111.23 ? 507 CLA c C20 1 ? ? +58372 HETATM C C1 . BCR HJ 30 . ? 39.123 32.201 6.924 1.00 70.74 ? 405 BCR d C1 1 ? ? +58373 HETATM C C2 . BCR HJ 30 . ? 39.732 32.277 5.520 1.00 70.71 ? 405 BCR d C2 1 ? ? +58374 HETATM C C3 . BCR HJ 30 . ? 38.950 33.122 4.573 1.00 70.47 ? 405 BCR d C3 1 ? ? +58375 HETATM C C4 . BCR HJ 30 . ? 37.509 32.639 4.460 1.00 69.39 ? 405 BCR d C4 1 ? ? +58376 HETATM C C5 . BCR HJ 30 . ? 36.883 32.240 5.767 1.00 69.06 ? 405 BCR d C5 1 ? ? +58377 HETATM C C6 . BCR HJ 30 . ? 37.601 32.116 6.906 1.00 69.64 ? 405 BCR d C6 1 ? ? +58378 HETATM C C7 . BCR HJ 30 . ? 37.006 31.761 8.174 1.00 69.30 ? 405 BCR d C7 1 ? ? +58379 HETATM C C8 . BCR HJ 30 . ? 35.756 32.030 8.615 1.00 68.88 ? 405 BCR d C8 1 ? ? +58380 HETATM C C9 . BCR HJ 30 . ? 35.159 31.541 9.781 1.00 68.58 ? 405 BCR d C9 1 ? ? +58381 HETATM C C10 . BCR HJ 30 . ? 33.910 32.042 10.179 1.00 68.24 ? 405 BCR d C10 1 ? ? +58382 HETATM C C11 . BCR HJ 30 . ? 33.092 31.653 11.212 1.00 68.12 ? 405 BCR d C11 1 ? ? +58383 HETATM C C33 . BCR HJ 30 . ? 35.413 31.951 5.626 1.00 68.39 ? 405 BCR d C33 1 ? ? +58384 HETATM C C31 . BCR HJ 30 . ? 39.570 33.450 7.704 1.00 71.81 ? 405 BCR d C31 1 ? ? +58385 HETATM C C32 . BCR HJ 30 . ? 39.729 30.973 7.623 1.00 70.71 ? 405 BCR d C32 1 ? ? +58386 HETATM C C34 . BCR HJ 30 . ? 35.786 30.482 10.621 1.00 68.47 ? 405 BCR d C34 1 ? ? +58387 HETATM C C12 . BCR HJ 30 . ? 31.868 32.216 11.473 1.00 68.10 ? 405 BCR d C12 1 ? ? +58388 HETATM C C13 . BCR HJ 30 . ? 30.849 31.793 12.332 1.00 67.93 ? 405 BCR d C13 1 ? ? +58389 HETATM C C14 . BCR HJ 30 . ? 29.623 32.470 12.394 1.00 67.95 ? 405 BCR d C14 1 ? ? +58390 HETATM C C15 . BCR HJ 30 . ? 28.490 32.164 13.106 1.00 67.98 ? 405 BCR d C15 1 ? ? +58391 HETATM C C16 . BCR HJ 30 . ? 27.233 32.722 13.056 1.00 68.16 ? 405 BCR d C16 1 ? ? +58392 HETATM C C17 . BCR HJ 30 . ? 26.096 32.320 13.716 1.00 68.57 ? 405 BCR d C17 1 ? ? +58393 HETATM C C18 . BCR HJ 30 . ? 24.754 32.760 13.584 1.00 69.19 ? 405 BCR d C18 1 ? ? +58394 HETATM C C19 . BCR HJ 30 . ? 23.747 32.181 14.361 1.00 70.01 ? 405 BCR d C19 1 ? ? +58395 HETATM C C20 . BCR HJ 30 . ? 22.404 32.444 14.412 1.00 71.23 ? 405 BCR d C20 1 ? ? +58396 HETATM C C21 . BCR HJ 30 . ? 21.492 31.667 15.092 1.00 72.35 ? 405 BCR d C21 1 ? ? +58397 HETATM C C22 . BCR HJ 30 . ? 20.110 31.810 15.239 1.00 73.95 ? 405 BCR d C22 1 ? ? +58398 HETATM C C23 . BCR HJ 30 . ? 19.415 30.787 15.850 1.00 76.73 ? 405 BCR d C23 1 ? ? +58399 HETATM C C24 . BCR HJ 30 . ? 18.140 30.817 16.289 1.00 80.46 ? 405 BCR d C24 1 ? ? +58400 HETATM C C25 . BCR HJ 30 . ? 17.345 29.704 16.766 1.00 84.37 ? 405 BCR d C25 1 ? ? +58401 HETATM C C26 . BCR HJ 30 . ? 17.457 28.442 16.302 1.00 86.71 ? 405 BCR d C26 1 ? ? +58402 HETATM C C27 . BCR HJ 30 . ? 16.713 27.324 16.978 1.00 86.96 ? 405 BCR d C27 1 ? ? +58403 HETATM C C28 . BCR HJ 30 . ? 16.570 27.554 18.478 1.00 87.33 ? 405 BCR d C28 1 ? ? +58404 HETATM C C29 . BCR HJ 30 . ? 15.881 28.841 18.712 1.00 87.01 ? 405 BCR d C29 1 ? ? +58405 HETATM C C30 . BCR HJ 30 . ? 16.549 30.034 18.015 1.00 87.07 ? 405 BCR d C30 1 ? ? +58406 HETATM C C35 . BCR HJ 30 . ? 31.052 30.573 13.157 1.00 67.79 ? 405 BCR d C35 1 ? ? +58407 HETATM C C36 . BCR HJ 30 . ? 24.401 33.809 12.583 1.00 68.65 ? 405 BCR d C36 1 ? ? +58408 HETATM C C37 . BCR HJ 30 . ? 19.462 33.027 14.691 1.00 73.33 ? 405 BCR d C37 1 ? ? +58409 HETATM C C38 . BCR HJ 30 . ? 18.334 27.993 15.160 1.00 86.85 ? 405 BCR d C38 1 ? ? +58410 HETATM C C39 . BCR HJ 30 . ? 17.515 30.683 19.028 1.00 87.32 ? 405 BCR d C39 1 ? ? +58411 HETATM C C40 . BCR HJ 30 . ? 15.427 31.020 17.651 1.00 87.31 ? 405 BCR d C40 1 ? ? +58412 HETATM C C1B . LMT HK 37 . ? 2.154 -8.451 -32.685 1.00 141.19 ? 101 LMT t C1B 1 ? ? +58413 HETATM O O1B . LMT HK 37 . ? 3.253 -9.151 -32.138 1.00 146.36 ? 101 LMT t O1B 1 ? ? +58414 HETATM O O5B . LMT HK 37 . ? 2.135 -8.555 -34.104 1.00 131.27 ? 101 LMT t O5B 1 ? ? +58415 HETATM C C1' . LMT HK 37 . ? 3.475 -12.064 -29.050 1.00 129.13 ? 101 LMT t C1' 1 ? ? +58416 HETATM C C2' . LMT HK 37 . ? 3.308 -12.522 -30.500 1.00 132.45 ? 101 LMT t C2' 1 ? ? +58417 HETATM C C3' . LMT HK 37 . ? 3.718 -11.442 -31.495 1.00 137.25 ? 101 LMT t C3' 1 ? ? +58418 HETATM C C4' . LMT HK 37 . ? 2.987 -10.159 -31.147 1.00 145.66 ? 101 LMT t C4' 1 ? ? +58419 HETATM C C5' . LMT HK 37 . ? 3.473 -9.744 -29.765 1.00 145.62 ? 101 LMT t C5' 1 ? ? +58420 HETATM C C6' . LMT HK 37 . ? 2.969 -8.395 -29.298 1.00 147.59 ? 101 LMT t C6' 1 ? ? +58421 HETATM O O1' . LMT HK 37 . ? 2.701 -12.906 -28.240 1.00 116.60 ? 101 LMT t O1' 1 ? ? +58422 HETATM O O2' . LMT HK 37 . ? 4.080 -13.695 -30.733 1.00 124.19 ? 101 LMT t O2' 1 ? ? +58423 HETATM O O3' . LMT HK 37 . ? 3.436 -11.854 -32.831 1.00 136.72 ? 101 LMT t O3' 1 ? ? +58424 HETATM O O5' . LMT HK 37 . ? 3.005 -10.737 -28.824 1.00 140.84 ? 101 LMT t O5' 1 ? ? +58425 HETATM O O6' . LMT HK 37 . ? 3.322 -8.144 -27.937 1.00 144.89 ? 101 LMT t O6' 1 ? ? +58426 HETATM C C1 . LMT HK 37 . ? 3.309 -14.156 -27.878 1.00 105.00 ? 101 LMT t C1 1 ? ? +58427 HETATM C C2 . LMT HK 37 . ? 3.166 -14.312 -26.404 1.00 102.65 ? 101 LMT t C2 1 ? ? +58428 HETATM C C3 . LMT HK 37 . ? 4.398 -14.853 -25.761 1.00 101.26 ? 101 LMT t C3 1 ? ? +58429 HETATM C C4 . LMT HK 37 . ? 4.348 -14.830 -24.263 1.00 103.05 ? 101 LMT t C4 1 ? ? +58430 HETATM C C5 . LMT HK 37 . ? 5.698 -15.046 -23.624 1.00 105.92 ? 101 LMT t C5 1 ? ? +58431 HETATM C C6 . LMT HK 37 . ? 5.646 -15.407 -22.163 1.00 106.34 ? 101 LMT t C6 1 ? ? +58432 HETATM C C7 . LMT HK 37 . ? 5.931 -14.258 -21.230 1.00 104.28 ? 101 LMT t C7 1 ? ? +58433 HETATM C C8 . LMT HK 37 . ? 6.141 -14.675 -19.800 1.00 101.66 ? 101 LMT t C8 1 ? ? +58434 HETATM C C9 . LMT HK 37 . ? 7.371 -15.523 -19.584 1.00 97.12 ? 101 LMT t C9 1 ? ? +58435 HETATM C C10 . LMT HK 37 . ? 8.125 -15.207 -18.324 1.00 94.03 ? 101 LMT t C10 1 ? ? +58436 HETATM C C11 . LMT HK 37 . ? 8.809 -13.867 -18.337 1.00 91.42 ? 101 LMT t C11 1 ? ? +58437 HETATM C C12 . LMT HK 37 . ? 9.340 -13.453 -16.987 1.00 90.23 ? 101 LMT t C12 1 ? ? +58438 HETATM C C1 . GOL HL 38 . ? 41.228 -14.745 -43.477 1.00 75.55 ? 411 GOL A C1 1 ? ? +58439 HETATM O O1 . GOL HL 38 . ? 40.286 -14.051 -42.661 1.00 74.73 ? 411 GOL A O1 1 ? ? +58440 HETATM C C2 . GOL HL 38 . ? 40.884 -14.626 -44.947 1.00 74.46 ? 411 GOL A C2 1 ? ? +58441 HETATM O O2 . GOL HL 38 . ? 42.090 -14.383 -45.674 1.00 78.13 ? 411 GOL A O2 1 ? ? +58442 HETATM C C3 . GOL HL 38 . ? 39.847 -13.555 -45.227 1.00 72.60 ? 411 GOL A C3 1 ? ? +58443 HETATM O O3 . GOL HL 38 . ? 38.598 -13.847 -44.602 1.00 70.57 ? 411 GOL A O3 1 ? ? +58444 HETATM C C1 . BCR HM 30 . ? 5.394 -19.880 -25.896 1.00 47.80 ? 617 BCR B C1 1 ? ? +58445 HETATM C C2 . BCR HM 30 . ? 6.325 -19.516 -27.047 1.00 47.74 ? 617 BCR B C2 1 ? ? +58446 HETATM C C3 . BCR HM 30 . ? 7.715 -19.952 -26.811 1.00 47.88 ? 617 BCR B C3 1 ? ? +58447 HETATM C C4 . BCR HM 30 . ? 8.268 -19.278 -25.565 1.00 47.94 ? 617 BCR B C4 1 ? ? +58448 HETATM C C5 . BCR HM 30 . ? 7.352 -19.390 -24.382 1.00 48.11 ? 617 BCR B C5 1 ? ? +58449 HETATM C C6 . BCR HM 30 . ? 6.038 -19.688 -24.539 1.00 47.63 ? 617 BCR B C6 1 ? ? +58450 HETATM C C7 . BCR HM 30 . ? 5.109 -19.782 -23.458 1.00 47.14 ? 617 BCR B C7 1 ? ? +58451 HETATM C C8 . BCR HM 30 . ? 5.275 -20.423 -22.284 1.00 47.00 ? 617 BCR B C8 1 ? ? +58452 HETATM C C9 . BCR HM 30 . ? 4.362 -20.436 -21.232 1.00 47.01 ? 617 BCR B C9 1 ? ? +58453 HETATM C C10 . BCR HM 30 . ? 4.407 -21.461 -20.267 1.00 46.70 ? 617 BCR B C10 1 ? ? +58454 HETATM C C11 . BCR HM 30 . ? 3.665 -21.600 -19.117 1.00 46.46 ? 617 BCR B C11 1 ? ? +58455 HETATM C C33 . BCR HM 30 . ? 8.053 -19.117 -23.075 1.00 47.82 ? 617 BCR B C33 1 ? ? +58456 HETATM C C31 . BCR HM 30 . ? 5.022 -21.362 -26.050 1.00 48.01 ? 617 BCR B C31 1 ? ? +58457 HETATM C C32 . BCR HM 30 . ? 4.115 -19.041 -26.035 1.00 48.34 ? 617 BCR B C32 1 ? ? +58458 HETATM C C34 . BCR HM 30 . ? 3.330 -19.361 -21.056 1.00 47.22 ? 617 BCR B C34 1 ? ? +58459 HETATM C C12 . BCR HM 30 . ? 3.736 -22.642 -18.232 1.00 46.38 ? 617 BCR B C12 1 ? ? +58460 HETATM C C13 . BCR HM 30 . ? 3.165 -22.755 -16.957 1.00 46.45 ? 617 BCR B C13 1 ? ? +58461 HETATM C C14 . BCR HM 30 . ? 3.383 -23.878 -16.149 1.00 46.34 ? 617 BCR B C14 1 ? ? +58462 HETATM C C15 . BCR HM 30 . ? 3.009 -24.077 -14.851 1.00 46.41 ? 617 BCR B C15 1 ? ? +58463 HETATM C C16 . BCR HM 30 . ? 3.227 -25.147 -14.026 1.00 46.50 ? 617 BCR B C16 1 ? ? +58464 HETATM C C17 . BCR HM 30 . ? 2.792 -25.346 -12.739 1.00 46.65 ? 617 BCR B C17 1 ? ? +58465 HETATM C C18 . BCR HM 30 . ? 3.092 -26.396 -11.870 1.00 46.82 ? 617 BCR B C18 1 ? ? +58466 HETATM C C19 . BCR HM 30 . ? 2.587 -26.420 -10.568 1.00 47.05 ? 617 BCR B C19 1 ? ? +58467 HETATM C C20 . BCR HM 30 . ? 2.881 -27.270 -9.538 1.00 47.37 ? 617 BCR B C20 1 ? ? +58468 HETATM C C21 . BCR HM 30 . ? 2.396 -27.094 -8.281 1.00 48.01 ? 617 BCR B C21 1 ? ? +58469 HETATM C C22 . BCR HM 30 . ? 2.714 -27.758 -7.105 1.00 48.67 ? 617 BCR B C22 1 ? ? +58470 HETATM C C23 . BCR HM 30 . ? 2.011 -27.443 -5.945 1.00 49.28 ? 617 BCR B C23 1 ? ? +58471 HETATM C C24 . BCR HM 30 . ? 2.045 -28.165 -4.805 1.00 50.07 ? 617 BCR B C24 1 ? ? +58472 HETATM C C25 . BCR HM 30 . ? 1.377 -27.888 -3.564 1.00 50.88 ? 617 BCR B C25 1 ? ? +58473 HETATM C C26 . BCR HM 30 . ? 1.140 -26.631 -3.128 1.00 51.08 ? 617 BCR B C26 1 ? ? +58474 HETATM C C27 . BCR HM 30 . ? 0.248 -26.373 -1.944 1.00 51.56 ? 617 BCR B C27 1 ? ? +58475 HETATM C C28 . BCR HM 30 . ? 0.086 -27.582 -1.028 1.00 52.04 ? 617 BCR B C28 1 ? ? +58476 HETATM C C29 . BCR HM 30 . ? -0.214 -28.811 -1.811 1.00 51.93 ? 617 BCR B C29 1 ? ? +58477 HETATM C C30 . BCR HM 30 . ? 0.861 -29.129 -2.849 1.00 51.46 ? 617 BCR B C30 1 ? ? +58478 HETATM C C35 . BCR HM 30 . ? 2.334 -21.631 -16.429 1.00 46.44 ? 617 BCR B C35 1 ? ? +58479 HETATM C C36 . BCR HM 30 . ? 3.981 -27.496 -12.339 1.00 46.61 ? 617 BCR B C36 1 ? ? +58480 HETATM C C37 . BCR HM 30 . ? 3.871 -28.696 -7.134 1.00 48.74 ? 617 BCR B C37 1 ? ? +58481 HETATM C C38 . BCR HM 30 . ? 1.694 -25.374 -3.744 1.00 50.46 ? 617 BCR B C38 1 ? ? +58482 HETATM C C39 . BCR HM 30 . ? 0.225 -30.112 -3.845 1.00 51.46 ? 617 BCR B C39 1 ? ? +58483 HETATM C C40 . BCR HM 30 . ? 2.024 -29.841 -2.144 1.00 51.68 ? 617 BCR B C40 1 ? ? +58484 HETATM MG MG . CLA HN 33 . ? 40.402 -78.055 -43.898 1.00 62.31 ? 512 CLA C MG 1 ? ? +58485 HETATM C CHA . CLA HN 33 . ? 41.147 -80.913 -42.073 1.00 64.40 ? 512 CLA C CHA 1 ? ? +58486 HETATM C CHB . CLA HN 33 . ? 42.613 -79.071 -46.306 1.00 63.64 ? 512 CLA C CHB 1 ? ? +58487 HETATM C CHC . CLA HN 33 . ? 38.738 -76.108 -46.346 1.00 60.82 ? 512 CLA C CHC 1 ? ? +58488 HETATM C CHD . CLA HN 33 . ? 37.303 -77.798 -42.016 1.00 61.28 ? 512 CLA C CHD 1 ? ? +58489 HETATM N NA . CLA HN 33 . ? 41.575 -79.717 -44.205 1.00 63.80 ? 512 CLA C NA 1 ? ? +58490 HETATM C C1A . CLA HN 33 . ? 41.831 -80.696 -43.370 1.00 64.50 ? 512 CLA C C1A 1 ? ? +58491 HETATM C C2A . CLA HN 33 . ? 43.000 -81.568 -43.737 1.00 65.58 ? 512 CLA C C2A 1 ? ? +58492 HETATM C C3A . CLA HN 33 . ? 43.355 -81.056 -45.116 1.00 65.18 ? 512 CLA C C3A 1 ? ? +58493 HETATM C C4A . CLA HN 33 . ? 42.454 -79.863 -45.234 1.00 64.11 ? 512 CLA C C4A 1 ? ? +58494 HETATM C CMA . CLA HN 33 . ? 44.846 -80.691 -45.249 1.00 65.52 ? 512 CLA C CMA 1 ? ? +58495 HETATM C CAA . CLA HN 33 . ? 42.779 -83.086 -43.679 1.00 66.76 ? 512 CLA C CAA 1 ? ? +58496 HETATM C CBA . CLA HN 33 . ? 41.461 -83.530 -44.312 1.00 66.98 ? 512 CLA C CBA 1 ? ? +58497 HETATM C CGA . CLA HN 33 . ? 41.108 -84.986 -44.090 1.00 68.08 ? 512 CLA C CGA 1 ? ? +58498 HETATM O O1A . CLA HN 33 . ? 41.866 -85.800 -43.596 1.00 68.88 ? 512 CLA C O1A 1 ? ? +58499 HETATM O O2A . CLA HN 33 . ? 39.789 -85.430 -44.497 1.00 68.67 ? 512 CLA C O2A 1 ? ? +58500 HETATM N NB . CLA HN 33 . ? 40.595 -77.698 -45.936 1.00 62.15 ? 512 CLA C NB 1 ? ? +58501 HETATM C C1B . CLA HN 33 . ? 41.618 -78.086 -46.752 1.00 62.73 ? 512 CLA C C1B 1 ? ? +58502 HETATM C C2B . CLA HN 33 . ? 41.615 -77.607 -48.168 1.00 62.43 ? 512 CLA C C2B 1 ? ? +58503 HETATM C C3B . CLA HN 33 . ? 40.440 -76.746 -48.141 1.00 61.63 ? 512 CLA C C3B 1 ? ? +58504 HETATM C C4B . CLA HN 33 . ? 39.954 -76.823 -46.743 1.00 61.55 ? 512 CLA C C4B 1 ? ? +58505 HETATM C CMB . CLA HN 33 . ? 42.569 -77.921 -49.292 1.00 62.88 ? 512 CLA C CMB 1 ? ? +58506 HETATM C CAB . CLA HN 33 . ? 39.879 -75.842 -49.184 1.00 61.18 ? 512 CLA C CAB 1 ? ? +58507 HETATM C CBB . CLA HN 33 . ? 40.583 -75.389 -50.218 1.00 61.23 ? 512 CLA C CBB 1 ? ? +58508 HETATM N NC . CLA HN 33 . ? 38.478 -77.217 -44.144 1.00 61.31 ? 512 CLA C NC 1 ? ? +58509 HETATM C C1C . CLA HN 33 . ? 38.012 -76.397 -45.120 1.00 60.69 ? 512 CLA C C1C 1 ? ? +58510 HETATM C C2C . CLA HN 33 . ? 36.635 -75.867 -44.979 1.00 60.10 ? 512 CLA C C2C 1 ? ? +58511 HETATM C C3C . CLA HN 33 . ? 36.224 -76.364 -43.690 1.00 60.28 ? 512 CLA C C3C 1 ? ? +58512 HETATM C C4C . CLA HN 33 . ? 37.420 -77.102 -43.274 1.00 60.89 ? 512 CLA C C4C 1 ? ? +58513 HETATM C CMC . CLA HN 33 . ? 35.836 -75.001 -45.903 1.00 59.56 ? 512 CLA C CMC 1 ? ? +58514 HETATM C CAC . CLA HN 33 . ? 34.928 -76.130 -42.951 1.00 60.02 ? 512 CLA C CAC 1 ? ? +58515 HETATM C CBC . CLA HN 33 . ? 33.949 -77.265 -43.143 1.00 60.40 ? 512 CLA C CBC 1 ? ? +58516 HETATM N ND . CLA HN 33 . ? 39.277 -79.227 -42.664 1.00 62.65 ? 512 CLA C ND 1 ? ? +58517 HETATM C C1D . CLA HN 33 . ? 38.287 -78.773 -41.674 1.00 62.13 ? 512 CLA C C1D 1 ? ? +58518 HETATM C C2D . CLA HN 33 . ? 38.275 -79.549 -40.410 1.00 62.75 ? 512 CLA C C2D 1 ? ? +58519 HETATM C C3D . CLA HN 33 . ? 39.473 -80.372 -40.616 1.00 63.54 ? 512 CLA C C3D 1 ? ? +58520 HETATM C C4D . CLA HN 33 . ? 40.000 -80.072 -41.814 1.00 63.48 ? 512 CLA C C4D 1 ? ? +58521 HETATM C CMD . CLA HN 33 . ? 37.436 -79.589 -39.161 1.00 62.72 ? 512 CLA C CMD 1 ? ? +58522 HETATM C CAD . CLA HN 33 . ? 40.285 -81.421 -39.959 1.00 64.45 ? 512 CLA C CAD 1 ? ? +58523 HETATM O OBD . CLA HN 33 . ? 40.075 -81.911 -38.792 1.00 64.67 ? 512 CLA C OBD 1 ? ? +58524 HETATM C CBD . CLA HN 33 . ? 41.412 -81.796 -40.878 1.00 65.05 ? 512 CLA C CBD 1 ? ? +58525 HETATM C CGD . CLA HN 33 . ? 42.716 -81.561 -40.172 1.00 65.49 ? 512 CLA C CGD 1 ? ? +58526 HETATM O O1D . CLA HN 33 . ? 43.166 -80.468 -39.897 1.00 65.02 ? 512 CLA C O1D 1 ? ? +58527 HETATM O O2D . CLA HN 33 . ? 43.472 -82.706 -39.767 1.00 66.81 ? 512 CLA C O2D 1 ? ? +58528 HETATM C CED . CLA HN 33 . ? 44.678 -82.573 -39.018 1.00 67.38 ? 512 CLA C CED 1 ? ? +58529 HETATM C C1 . CLA HN 33 . ? 39.593 -86.754 -44.983 1.00 69.67 ? 512 CLA C C1 1 ? ? +58530 HETATM C C2 . CLA HN 33 . ? 38.464 -86.722 -45.988 1.00 69.53 ? 512 CLA C C2 1 ? ? +58531 HETATM C C3 . CLA HN 33 . ? 38.330 -87.671 -46.931 1.00 70.27 ? 512 CLA C C3 1 ? ? +58532 HETATM C C4 . CLA HN 33 . ? 39.301 -88.809 -47.033 1.00 71.21 ? 512 CLA C C4 1 ? ? +58533 HETATM C C5 . CLA HN 33 . ? 37.187 -87.581 -47.920 1.00 70.09 ? 512 CLA C C5 1 ? ? +58534 HETATM C C6 . CLA HN 33 . ? 37.715 -87.268 -49.316 1.00 70.09 ? 512 CLA C C6 1 ? ? +58535 HETATM C C7 . CLA HN 33 . ? 38.758 -86.171 -49.203 1.00 69.80 ? 512 CLA C C7 1 ? ? +58536 HETATM C C8 . CLA HN 33 . ? 39.319 -85.589 -50.487 1.00 69.72 ? 512 CLA C C8 1 ? ? +58537 HETATM C C9 . CLA HN 33 . ? 40.842 -85.459 -50.611 1.00 70.10 ? 512 CLA C C9 1 ? ? +58538 HETATM C C10 . CLA HN 33 . ? 38.392 -85.148 -51.636 1.00 69.27 ? 512 CLA C C10 1 ? ? +58539 HETATM C C11 . CLA HN 33 . ? 39.151 -84.932 -52.948 1.00 69.56 ? 512 CLA C C11 1 ? ? +58540 HETATM C C12 . CLA HN 33 . ? 38.313 -85.216 -54.192 1.00 69.55 ? 512 CLA C C12 1 ? ? +58541 HETATM C C13 . CLA HN 33 . ? 39.025 -84.787 -55.481 1.00 69.51 ? 512 CLA C C13 1 ? ? +58542 HETATM C C14 . CLA HN 33 . ? 38.002 -84.398 -56.536 1.00 69.04 ? 512 CLA C C14 1 ? ? +58543 HETATM C C15 . CLA HN 33 . ? 39.937 -85.913 -55.973 1.00 70.42 ? 512 CLA C C15 1 ? ? +58544 HETATM C C16 . CLA HN 33 . ? 40.955 -85.497 -57.031 1.00 70.46 ? 512 CLA C C16 1 ? ? +58545 HETATM C C17 . CLA HN 33 . ? 41.819 -86.717 -57.312 1.00 71.42 ? 512 CLA C C17 1 ? ? +58546 HETATM C C18 . CLA HN 33 . ? 42.967 -86.488 -58.296 1.00 71.90 ? 512 CLA C C18 1 ? ? +58547 HETATM C C19 . CLA HN 33 . ? 43.500 -87.689 -59.070 1.00 72.95 ? 512 CLA C C19 1 ? ? +58548 HETATM C C20 . CLA HN 33 . ? 43.397 -85.044 -58.682 1.00 71.38 ? 512 CLA C C20 1 ? ? +58549 HETATM C C1B . LMT HO 37 . ? 3.234 -74.925 -71.649 1.00 162.29 ? 101 LMT F C1B 1 ? ? +58550 HETATM C C2B . LMT HO 37 . ? 3.369 -74.202 -72.986 1.00 166.39 ? 101 LMT F C2B 1 ? ? +58551 HETATM C C3B . LMT HO 37 . ? 3.814 -72.758 -72.771 1.00 166.09 ? 101 LMT F C3B 1 ? ? +58552 HETATM C C4B . LMT HO 37 . ? 2.851 -72.059 -71.827 1.00 162.73 ? 101 LMT F C4B 1 ? ? +58553 HETATM C C5B . LMT HO 37 . ? 2.797 -72.830 -70.508 1.00 159.30 ? 101 LMT F C5B 1 ? ? +58554 HETATM C C6B . LMT HO 37 . ? 1.831 -72.240 -69.505 1.00 152.87 ? 101 LMT F C6B 1 ? ? +58555 HETATM O O1B . LMT HO 37 . ? 4.514 -75.058 -71.067 1.00 155.42 ? 101 LMT F O1B 1 ? ? +58556 HETATM O O2B . LMT HO 37 . ? 4.283 -74.897 -73.829 1.00 172.18 ? 101 LMT F O2B 1 ? ? +58557 HETATM O O3B . LMT HO 37 . ? 3.881 -72.066 -74.017 1.00 167.49 ? 101 LMT F O3B 1 ? ? +58558 HETATM O O4' . LMT HO 37 . ? 3.269 -70.714 -71.597 1.00 158.60 ? 101 LMT F O4' 1 ? ? +58559 HETATM O O5B . LMT HO 37 . ? 2.367 -74.194 -70.771 1.00 162.69 ? 101 LMT F O5B 1 ? ? +58560 HETATM O O6B . LMT HO 37 . ? 1.961 -72.866 -68.228 1.00 148.45 ? 101 LMT F O6B 1 ? ? +58561 HETATM C C1' . LMT HO 37 . ? 7.228 -77.668 -69.372 1.00 133.24 ? 101 LMT F C1' 1 ? ? +58562 HETATM C C2' . LMT HO 37 . ? 7.350 -77.517 -70.882 1.00 136.33 ? 101 LMT F C2' 1 ? ? +58563 HETATM C C3' . LMT HO 37 . ? 6.488 -76.357 -71.402 1.00 141.99 ? 101 LMT F C3' 1 ? ? +58564 HETATM C C4' . LMT HO 37 . ? 5.081 -76.352 -70.796 1.00 144.63 ? 101 LMT F C4' 1 ? ? +58565 HETATM C C5' . LMT HO 37 . ? 5.127 -76.550 -69.281 1.00 138.58 ? 101 LMT F C5' 1 ? ? +58566 HETATM C C6' . LMT HO 37 . ? 3.762 -76.677 -68.630 1.00 133.13 ? 101 LMT F C6' 1 ? ? +58567 HETATM O O1' . LMT HO 37 . ? 7.888 -78.844 -68.991 1.00 127.68 ? 101 LMT F O1' 1 ? ? +58568 HETATM O O2' . LMT HO 37 . ? 8.721 -77.322 -71.226 1.00 130.65 ? 101 LMT F O2' 1 ? ? +58569 HETATM O O3' . LMT HO 37 . ? 6.419 -76.453 -72.824 1.00 142.41 ? 101 LMT F O3' 1 ? ? +58570 HETATM O O5' . LMT HO 37 . ? 5.865 -77.759 -68.990 1.00 136.77 ? 101 LMT F O5' 1 ? ? +58571 HETATM O O6' . LMT HO 37 . ? 3.484 -75.574 -67.758 1.00 126.00 ? 101 LMT F O6' 1 ? ? +58572 HETATM C C1 . LMT HO 37 . ? 9.219 -78.652 -68.478 1.00 123.62 ? 101 LMT F C1 1 ? ? +58573 HETATM C C2 . LMT HO 37 . ? 9.333 -79.399 -67.187 1.00 122.51 ? 101 LMT F C2 1 ? ? +58574 HETATM C C3 . LMT HO 37 . ? 10.569 -79.043 -66.404 1.00 121.20 ? 101 LMT F C3 1 ? ? +58575 HETATM C C4 . LMT HO 37 . ? 10.714 -79.841 -65.131 1.00 120.35 ? 101 LMT F C4 1 ? ? +58576 HETATM C C5 . LMT HO 37 . ? 11.390 -79.097 -64.004 1.00 118.57 ? 101 LMT F C5 1 ? ? +58577 HETATM C C6 . LMT HO 37 . ? 11.769 -79.969 -62.836 1.00 117.31 ? 101 LMT F C6 1 ? ? +58578 HETATM C C7 . LMT HO 37 . ? 11.525 -79.350 -61.483 1.00 117.77 ? 101 LMT F C7 1 ? ? +58579 HETATM C C8 . LMT HO 37 . ? 11.563 -80.343 -60.344 1.00 119.12 ? 101 LMT F C8 1 ? ? +58580 HETATM C C9 . LMT HO 37 . ? 12.193 -79.827 -59.071 1.00 120.19 ? 101 LMT F C9 1 ? ? +58581 HETATM C C10 . LMT HO 37 . ? 12.628 -80.915 -58.113 1.00 120.53 ? 101 LMT F C10 1 ? ? +58582 HETATM C C11 . LMT HO 37 . ? 13.153 -80.426 -56.786 1.00 119.28 ? 101 LMT F C11 1 ? ? +58583 HETATM C C12 . LMT HO 37 . ? 14.106 -81.388 -56.114 1.00 118.99 ? 101 LMT F C12 1 ? ? +58584 HETATM CL CL A CL HP 45 . ? -10.988 28.025 -17.052 0.40 51.86 ? 403 CL a CL 1 ? ? +58585 HETATM CL CL B CL HP 45 . ? -11.184 28.297 -16.927 0.60 52.63 ? 403 CL a CL 1 ? ? +58586 HETATM MG MG . CLA HQ 33 . ? 34.626 -7.929 -0.873 1.00 51.65 ? 611 CLA b MG 1 ? ? +58587 HETATM C CHA . CLA HQ 33 . ? 32.864 -10.112 1.096 1.00 51.52 ? 611 CLA b CHA 1 ? ? +58588 HETATM C CHB . CLA HQ 33 . ? 36.651 -10.497 -1.841 1.00 52.40 ? 611 CLA b CHB 1 ? ? +58589 HETATM C CHC . CLA HQ 33 . ? 35.509 -6.227 -3.844 1.00 51.59 ? 611 CLA b CHC 1 ? ? +58590 HETATM C CHD . CLA HQ 33 . ? 31.855 -5.687 -0.725 1.00 50.93 ? 611 CLA b CHD 1 ? ? +58591 HETATM N NA . CLA HQ 33 . ? 34.681 -9.923 -0.543 1.00 51.85 ? 611 CLA b NA 1 ? ? +58592 HETATM C C1A . CLA HQ 33 . ? 33.973 -10.614 0.299 1.00 51.82 ? 611 CLA b C1A 1 ? ? +58593 HETATM C C2A . CLA HQ 33 . ? 34.498 -11.969 0.644 1.00 52.26 ? 611 CLA b C2A 1 ? ? +58594 HETATM C C3A . CLA HQ 33 . ? 35.777 -12.023 -0.185 1.00 52.37 ? 611 CLA b C3A 1 ? ? +58595 HETATM C C4A . CLA HQ 33 . ? 35.700 -10.732 -0.933 1.00 52.18 ? 611 CLA b C4A 1 ? ? +58596 HETATM C CMA . CLA HQ 33 . ? 37.039 -12.102 0.662 1.00 52.99 ? 611 CLA b CMA 1 ? ? +58597 HETATM C CAA . CLA HQ 33 . ? 33.523 -13.100 0.368 1.00 52.01 ? 611 CLA b CAA 1 ? ? +58598 HETATM C CBA . CLA HQ 33 . ? 33.048 -12.956 -1.055 1.00 51.85 ? 611 CLA b CBA 1 ? ? +58599 HETATM C CGA . CLA HQ 33 . ? 31.929 -13.891 -1.432 1.00 51.95 ? 611 CLA b CGA 1 ? ? +58600 HETATM O O1A . CLA HQ 33 . ? 31.871 -15.067 -1.119 1.00 51.95 ? 611 CLA b O1A 1 ? ? +58601 HETATM O O2A . CLA HQ 33 . ? 30.892 -13.371 -2.262 1.00 52.44 ? 611 CLA b O2A 1 ? ? +58602 HETATM N NB . CLA HQ 33 . ? 35.766 -8.315 -2.556 1.00 51.91 ? 611 CLA b NB 1 ? ? +58603 HETATM C C1B . CLA HQ 33 . ? 36.658 -9.336 -2.735 1.00 52.24 ? 611 CLA b C1B 1 ? ? +58604 HETATM C C2B . CLA HQ 33 . ? 37.532 -9.332 -3.946 1.00 52.37 ? 611 CLA b C2B 1 ? ? +58605 HETATM C C3B . CLA HQ 33 . ? 37.127 -8.049 -4.519 1.00 52.15 ? 611 CLA b C3B 1 ? ? +58606 HETATM C C4B . CLA HQ 33 . ? 36.140 -7.505 -3.566 1.00 51.95 ? 611 CLA b C4B 1 ? ? +58607 HETATM C CMB . CLA HQ 33 . ? 38.540 -10.376 -4.404 1.00 52.69 ? 611 CLA b CMB 1 ? ? +58608 HETATM C CAB . CLA HQ 33 . ? 37.648 -7.306 -5.685 1.00 52.27 ? 611 CLA b CAB 1 ? ? +58609 HETATM C CBB . CLA HQ 33 . ? 38.898 -7.503 -6.086 1.00 52.88 ? 611 CLA b CBB 1 ? ? +58610 HETATM N NC . CLA HQ 33 . ? 33.866 -6.376 -2.035 1.00 51.22 ? 611 CLA b NC 1 ? ? +58611 HETATM C C1C . CLA HQ 33 . ? 34.357 -5.750 -3.126 1.00 51.19 ? 611 CLA b C1C 1 ? ? +58612 HETATM C C2C . CLA HQ 33 . ? 33.627 -4.587 -3.679 1.00 50.73 ? 611 CLA b C2C 1 ? ? +58613 HETATM C C3C . CLA HQ 33 . ? 32.564 -4.420 -2.730 1.00 50.67 ? 611 CLA b C3C 1 ? ? +58614 HETATM C C4C . CLA HQ 33 . ? 32.841 -5.507 -1.779 1.00 50.95 ? 611 CLA b C4C 1 ? ? +58615 HETATM C CMC . CLA HQ 33 . ? 33.908 -3.760 -4.896 1.00 50.63 ? 611 CLA b CMC 1 ? ? +58616 HETATM C CAC . CLA HQ 33 . ? 31.430 -3.413 -2.701 1.00 50.53 ? 611 CLA b CAC 1 ? ? +58617 HETATM C CBC . CLA HQ 33 . ? 30.259 -3.855 -3.546 1.00 49.83 ? 611 CLA b CBC 1 ? ? +58618 HETATM N ND . CLA HQ 33 . ? 32.664 -8.017 -0.313 1.00 51.15 ? 611 CLA b ND 1 ? ? +58619 HETATM C C1D . CLA HQ 33 . ? 31.849 -6.878 0.070 1.00 51.02 ? 611 CLA b C1D 1 ? ? +58620 HETATM C C2D . CLA HQ 33 . ? 30.919 -7.139 1.205 1.00 51.19 ? 611 CLA b C2D 1 ? ? +58621 HETATM C C3D . CLA HQ 33 . ? 31.377 -8.472 1.608 1.00 51.23 ? 611 CLA b C3D 1 ? ? +58622 HETATM C C4D . CLA HQ 33 . ? 32.400 -8.801 0.794 1.00 51.32 ? 611 CLA b C4D 1 ? ? +58623 HETATM C CMD . CLA HQ 33 . ? 29.810 -6.384 1.884 1.00 51.20 ? 611 CLA b CMD 1 ? ? +58624 HETATM C CAD . CLA HQ 33 . ? 31.134 -9.557 2.589 1.00 51.30 ? 611 CLA b CAD 1 ? ? +58625 HETATM O OBD . CLA HQ 33 . ? 30.309 -9.585 3.569 1.00 51.18 ? 611 CLA b OBD 1 ? ? +58626 HETATM C CBD . CLA HQ 33 . ? 32.134 -10.644 2.289 1.00 51.51 ? 611 CLA b CBD 1 ? ? +58627 HETATM C CGD . CLA HQ 33 . ? 32.969 -10.867 3.487 1.00 51.96 ? 611 CLA b CGD 1 ? ? +58628 HETATM O O1D . CLA HQ 33 . ? 33.580 -9.961 3.992 1.00 52.27 ? 611 CLA b O1D 1 ? ? +58629 HETATM O O2D . CLA HQ 33 . ? 33.012 -12.161 4.117 1.00 52.19 ? 611 CLA b O2D 1 ? ? +58630 HETATM C CED . CLA HQ 33 . ? 33.727 -12.279 5.352 1.00 52.91 ? 611 CLA b CED 1 ? ? +58631 HETATM C C1 . CLA HQ 33 . ? 29.884 -14.290 -2.659 1.00 53.25 ? 611 CLA b C1 1 ? ? +58632 HETATM C C2 . CLA HQ 33 . ? 29.047 -13.608 -3.694 1.00 53.77 ? 611 CLA b C2 1 ? ? +58633 HETATM C C3 . CLA HQ 33 . ? 28.173 -14.298 -4.420 1.00 55.12 ? 611 CLA b C3 1 ? ? +58634 HETATM C C4 . CLA HQ 33 . ? 27.985 -15.767 -4.207 1.00 55.10 ? 611 CLA b C4 1 ? ? +58635 HETATM C C5 . CLA HQ 33 . ? 27.336 -13.659 -5.486 1.00 56.76 ? 611 CLA b C5 1 ? ? +58636 HETATM C C6 . CLA HQ 33 . ? 27.430 -12.142 -5.564 1.00 58.72 ? 611 CLA b C6 1 ? ? +58637 HETATM C C7 . CLA HQ 33 . ? 26.898 -11.768 -6.938 1.00 61.13 ? 611 CLA b C7 1 ? ? +58638 HETATM C C8 . CLA HQ 33 . ? 26.452 -10.311 -7.181 1.00 63.98 ? 611 CLA b C8 1 ? ? +58639 HETATM C C9 . CLA HQ 33 . ? 26.205 -9.341 -6.022 1.00 65.08 ? 611 CLA b C9 1 ? ? +58640 HETATM C C10 . CLA HQ 33 . ? 26.461 -9.705 -8.595 1.00 65.58 ? 611 CLA b C10 1 ? ? +58641 HETATM C C11 . CLA HQ 33 . ? 27.219 -10.461 -9.687 1.00 66.87 ? 611 CLA b C11 1 ? ? +58642 HETATM C C12 . CLA HQ 33 . ? 28.393 -9.645 -10.216 1.00 68.96 ? 611 CLA b C12 1 ? ? +58643 HETATM C C13 . CLA HQ 33 . ? 28.873 -10.245 -11.533 1.00 69.99 ? 611 CLA b C13 1 ? ? +58644 HETATM C C14 . CLA HQ 33 . ? 29.571 -11.582 -11.303 1.00 70.74 ? 611 CLA b C14 1 ? ? +58645 HETATM C C15 . CLA HQ 33 . ? 29.779 -9.271 -12.273 1.00 70.44 ? 611 CLA b C15 1 ? ? +58646 HETATM C C16 . CLA HQ 33 . ? 31.024 -8.880 -11.487 1.00 70.34 ? 611 CLA b C16 1 ? ? +58647 HETATM C C17 . CLA HQ 33 . ? 32.107 -8.334 -12.401 1.00 70.80 ? 611 CLA b C17 1 ? ? +58648 HETATM C C18 . CLA HQ 33 . ? 32.155 -6.856 -12.081 1.00 71.45 ? 611 CLA b C18 1 ? ? +58649 HETATM C C19 . CLA HQ 33 . ? 33.162 -6.329 -11.072 1.00 72.18 ? 611 CLA b C19 1 ? ? +58650 HETATM C C20 . CLA HQ 33 . ? 31.347 -5.922 -12.954 1.00 72.08 ? 611 CLA b C20 1 ? ? +58651 HETATM MG MG . CLA HR 33 . ? -18.660 13.071 27.334 1.00 72.49 ? 508 CLA c MG 1 ? ? +58652 HETATM C CHA . CLA HR 33 . ? -19.343 16.460 28.083 1.00 69.51 ? 508 CLA c CHA 1 ? ? +58653 HETATM C CHB . CLA HR 33 . ? -18.956 13.808 24.087 1.00 67.56 ? 508 CLA c CHB 1 ? ? +58654 HETATM C CHC . CLA HR 33 . ? -19.622 9.758 26.691 1.00 68.15 ? 508 CLA c CHC 1 ? ? +58655 HETATM C CHD . CLA HR 33 . ? -19.339 12.316 30.838 1.00 70.65 ? 508 CLA c CHD 1 ? ? +58656 HETATM N NA . CLA HR 33 . ? -19.077 14.772 26.291 1.00 69.40 ? 508 CLA c NA 1 ? ? +58657 HETATM C C1A . CLA HR 33 . ? -19.183 16.016 26.692 1.00 69.08 ? 508 CLA c C1A 1 ? ? +58658 HETATM C C2A . CLA HR 33 . ? -19.200 17.055 25.603 1.00 68.63 ? 508 CLA c C2A 1 ? ? +58659 HETATM C C3A . CLA HR 33 . ? -18.965 16.209 24.374 1.00 67.88 ? 508 CLA c C3A 1 ? ? +58660 HETATM C C4A . CLA HR 33 . ? -19.024 14.823 24.942 1.00 68.17 ? 508 CLA c C4A 1 ? ? +58661 HETATM C CMA . CLA HR 33 . ? -19.957 16.481 23.248 1.00 67.79 ? 508 CLA c CMA 1 ? ? +58662 HETATM C CAA . CLA HR 33 . ? -18.166 18.165 25.787 1.00 68.52 ? 508 CLA c CAA 1 ? ? +58663 HETATM C CBA . CLA HR 33 . ? -18.082 19.159 24.629 1.00 68.24 ? 508 CLA c CBA 1 ? ? +58664 HETATM C CGA . CLA HR 33 . ? -19.402 19.803 24.318 1.00 68.81 ? 508 CLA c CGA 1 ? ? +58665 HETATM O O1A . CLA HR 33 . ? -20.193 20.103 25.193 1.00 69.55 ? 508 CLA c O1A 1 ? ? +58666 HETATM O O2A . CLA HR 33 . ? -19.736 20.077 22.939 1.00 68.75 ? 508 CLA c O2A 1 ? ? +58667 HETATM N NB . CLA HR 33 . ? -19.250 11.970 25.696 1.00 68.53 ? 508 CLA c NB 1 ? ? +58668 HETATM C C1B . CLA HR 33 . ? -19.184 12.408 24.421 1.00 67.54 ? 508 CLA c C1B 1 ? ? +58669 HETATM C C2B . CLA HR 33 . ? -19.546 11.464 23.349 1.00 66.80 ? 508 CLA c C2B 1 ? ? +58670 HETATM C C3B . CLA HR 33 . ? -19.746 10.273 24.125 1.00 66.99 ? 508 CLA c C3B 1 ? ? +58671 HETATM C C4B . CLA HR 33 . ? -19.509 10.656 25.540 1.00 67.74 ? 508 CLA c C4B 1 ? ? +58672 HETATM C CMB . CLA HR 33 . ? -19.672 11.611 21.855 1.00 66.26 ? 508 CLA c CMB 1 ? ? +58673 HETATM C CAB . CLA HR 33 . ? -20.191 9.042 23.448 1.00 66.84 ? 508 CLA c CAB 1 ? ? +58674 HETATM C CBB . CLA HR 33 . ? -20.730 8.062 24.110 1.00 67.54 ? 508 CLA c CBB 1 ? ? +58675 HETATM N NC . CLA HR 33 . ? -19.370 11.472 28.477 1.00 69.82 ? 508 CLA c NC 1 ? ? +58676 HETATM C C1C . CLA HR 33 . ? -19.603 10.194 28.082 1.00 68.99 ? 508 CLA c C1C 1 ? ? +58677 HETATM C C2C . CLA HR 33 . ? -19.973 9.205 29.116 1.00 69.36 ? 508 CLA c C2C 1 ? ? +58678 HETATM C C3C . CLA HR 33 . ? -19.877 9.969 30.331 1.00 70.14 ? 508 CLA c C3C 1 ? ? +58679 HETATM C C4C . CLA HR 33 . ? -19.443 11.281 29.829 1.00 70.06 ? 508 CLA c C4C 1 ? ? +58680 HETATM C CMC . CLA HR 33 . ? -20.344 7.760 29.009 1.00 69.31 ? 508 CLA c CMC 1 ? ? +58681 HETATM C CAC . CLA HR 33 . ? -20.148 9.502 31.742 1.00 71.01 ? 508 CLA c CAC 1 ? ? +58682 HETATM C CBC . CLA HR 33 . ? -21.622 9.653 32.059 1.00 71.68 ? 508 CLA c CBC 1 ? ? +58683 HETATM N ND . CLA HR 33 . ? -19.151 14.104 29.060 1.00 70.46 ? 508 CLA c ND 1 ? ? +58684 HETATM C C1D . CLA HR 33 . ? -19.457 13.683 30.419 1.00 70.64 ? 508 CLA c C1D 1 ? ? +58685 HETATM C C2D . CLA HR 33 . ? -19.615 14.882 31.290 1.00 71.01 ? 508 CLA c C2D 1 ? ? +58686 HETATM C C3D . CLA HR 33 . ? -19.584 15.951 30.282 1.00 70.56 ? 508 CLA c C3D 1 ? ? +58687 HETATM C C4D . CLA HR 33 . ? -19.496 15.428 29.060 1.00 70.08 ? 508 CLA c C4D 1 ? ? +58688 HETATM C CMD . CLA HR 33 . ? -19.846 15.190 32.742 1.00 71.96 ? 508 CLA c CMD 1 ? ? +58689 HETATM C CAD . CLA HR 33 . ? -19.724 17.415 30.161 1.00 70.69 ? 508 CLA c CAD 1 ? ? +58690 HETATM O OBD . CLA HR 33 . ? -19.918 18.231 31.127 1.00 71.44 ? 508 CLA c OBD 1 ? ? +58691 HETATM C CBD . CLA HR 33 . ? -19.547 17.801 28.730 1.00 69.94 ? 508 CLA c CBD 1 ? ? +58692 HETATM C CGD . CLA HR 33 . ? -20.695 18.647 28.275 1.00 70.10 ? 508 CLA c CGD 1 ? ? +58693 HETATM O O1D . CLA HR 33 . ? -20.709 19.841 28.532 1.00 70.21 ? 508 CLA c O1D 1 ? ? +58694 HETATM O O2D . CLA HR 33 . ? -21.792 18.062 27.536 1.00 69.94 ? 508 CLA c O2D 1 ? ? +58695 HETATM C CED . CLA HR 33 . ? -22.950 18.838 27.318 1.00 70.48 ? 508 CLA c CED 1 ? ? +58696 HETATM C C1 . CLA HR 33 . ? -20.954 20.752 22.643 1.00 69.75 ? 508 CLA c C1 1 ? ? +58697 HETATM C C2 . CLA HR 33 . ? -22.150 19.845 22.857 1.00 70.36 ? 508 CLA c C2 1 ? ? +58698 HETATM C C3 . CLA HR 33 . ? -23.042 19.600 21.885 1.00 70.98 ? 508 CLA c C3 1 ? ? +58699 HETATM C C4 . CLA HR 33 . ? -22.905 20.236 20.531 1.00 70.69 ? 508 CLA c C4 1 ? ? +58700 HETATM C C5 . CLA HR 33 . ? -24.215 18.703 22.211 1.00 72.04 ? 508 CLA c C5 1 ? ? +58701 HETATM C C6 . CLA HR 33 . ? -25.089 18.299 21.027 1.00 72.14 ? 508 CLA c C6 1 ? ? +58702 HETATM C C7 . CLA HR 33 . ? -26.234 17.464 21.570 1.00 73.16 ? 508 CLA c C7 1 ? ? +58703 HETATM C C8 . CLA HR 33 . ? -26.978 16.588 20.561 1.00 73.38 ? 508 CLA c C8 1 ? ? +58704 HETATM C C9 . CLA HR 33 . ? -26.909 16.825 19.057 1.00 73.01 ? 508 CLA c C9 1 ? ? +58705 HETATM C C10 . CLA HR 33 . ? -27.626 15.332 21.158 1.00 74.05 ? 508 CLA c C10 1 ? ? +58706 HETATM C C11 . CLA HR 33 . ? -27.785 14.069 20.332 1.00 73.80 ? 508 CLA c C11 1 ? ? +58707 HETATM C C12 . CLA HR 33 . ? -28.240 13.004 21.320 1.00 74.76 ? 508 CLA c C12 1 ? ? +58708 HETATM C C13 . CLA HR 33 . ? -28.523 11.651 20.709 1.00 75.28 ? 508 CLA c C13 1 ? ? +58709 HETATM C C14 . CLA HR 33 . ? -29.490 11.777 19.535 1.00 76.03 ? 508 CLA c C14 1 ? ? +58710 HETATM C C15 . CLA HR 33 . ? -29.163 10.797 21.796 1.00 76.46 ? 508 CLA c C15 1 ? ? +58711 HETATM C C16 . CLA HR 33 . ? -28.919 9.327 21.552 1.00 76.37 ? 508 CLA c C16 1 ? ? +58712 HETATM C C17 . CLA HR 33 . ? -29.810 8.511 22.480 1.00 77.60 ? 508 CLA c C17 1 ? ? +58713 HETATM C C18 . CLA HR 33 . ? -29.268 7.102 22.735 1.00 77.75 ? 508 CLA c C18 1 ? ? +58714 HETATM C C19 . CLA HR 33 . ? -30.256 6.041 23.225 1.00 78.84 ? 508 CLA c C19 1 ? ? +58715 HETATM C C20 . CLA HR 33 . ? -27.894 6.642 22.261 1.00 76.72 ? 508 CLA c C20 1 ? ? +58716 HETATM C C2 A PL9 HS 28 . ? 8.879 -3.926 14.718 0.40 51.14 ? 406 PL9 d C2 1 ? ? +58717 HETATM C C2 B PL9 HS 28 . ? 8.900 -4.081 14.655 0.60 50.68 ? 406 PL9 d C2 1 ? ? +58718 HETATM C C3 A PL9 HS 28 . ? 8.256 -4.976 14.078 0.40 50.88 ? 406 PL9 d C3 1 ? ? +58719 HETATM C C3 B PL9 HS 28 . ? 8.289 -5.168 14.059 0.60 50.44 ? 406 PL9 d C3 1 ? ? +58720 HETATM C C4 A PL9 HS 28 . ? 8.452 -6.293 14.561 0.40 51.02 ? 406 PL9 d C4 1 ? ? +58721 HETATM C C4 B PL9 HS 28 . ? 8.494 -6.466 14.621 0.60 50.63 ? 406 PL9 d C4 1 ? ? +58722 HETATM C C5 A PL9 HS 28 . ? 9.167 -6.527 15.844 0.40 51.54 ? 406 PL9 d C5 1 ? ? +58723 HETATM C C5 B PL9 HS 28 . ? 9.168 -6.616 15.945 0.60 51.17 ? 406 PL9 d C5 1 ? ? +58724 HETATM C C6 A PL9 HS 28 . ? 9.769 -5.476 16.493 0.40 51.81 ? 406 PL9 d C6 1 ? ? +58725 HETATM C C6 B PL9 HS 28 . ? 9.778 -5.526 16.529 0.60 51.41 ? 406 PL9 d C6 1 ? ? +58726 HETATM C C1 A PL9 HS 28 . ? 9.688 -4.126 15.917 0.40 51.62 ? 406 PL9 d C1 1 ? ? +58727 HETATM C C1 B PL9 HS 28 . ? 9.706 -4.215 15.867 0.60 51.17 ? 406 PL9 d C1 1 ? ? +58728 HETATM C C7 A PL9 HS 28 . ? 7.389 -4.747 12.858 0.40 50.47 ? 406 PL9 d C7 1 ? ? +58729 HETATM C C7 B PL9 HS 28 . ? 7.424 -4.997 12.825 0.60 50.04 ? 406 PL9 d C7 1 ? ? +58730 HETATM C C8 A PL9 HS 28 . ? 8.159 -4.415 11.609 0.40 50.06 ? 406 PL9 d C8 1 ? ? +58731 HETATM C C8 B PL9 HS 28 . ? 8.166 -4.559 11.589 0.60 49.65 ? 406 PL9 d C8 1 ? ? +58732 HETATM C C9 A PL9 HS 28 . ? 8.075 -5.020 10.435 0.40 49.68 ? 406 PL9 d C9 1 ? ? +58733 HETATM C C9 B PL9 HS 28 . ? 8.257 -5.188 10.423 0.60 49.27 ? 406 PL9 d C9 1 ? ? +58734 HETATM C C10 A PL9 HS 28 . ? 7.144 -6.167 10.184 0.40 49.61 ? 406 PL9 d C10 1 ? ? +58735 HETATM C C10 B PL9 HS 28 . ? 7.655 -6.538 10.167 0.60 49.20 ? 406 PL9 d C10 1 ? ? +58736 HETATM C C11 A PL9 HS 28 . ? 8.913 -4.598 9.261 0.40 49.30 ? 406 PL9 d C11 1 ? ? +58737 HETATM C C11 B PL9 HS 28 . ? 8.983 -4.588 9.251 0.60 48.92 ? 406 PL9 d C11 1 ? ? +58738 HETATM C C12 A PL9 HS 28 . ? 8.101 -4.212 8.046 0.40 48.97 ? 406 PL9 d C12 1 ? ? +58739 HETATM C C12 B PL9 HS 28 . ? 8.091 -4.069 8.145 0.60 48.66 ? 406 PL9 d C12 1 ? ? +58740 HETATM C C13 A PL9 HS 28 . ? 8.858 -3.352 7.079 0.40 48.75 ? 406 PL9 d C13 1 ? ? +58741 HETATM C C13 B PL9 HS 28 . ? 8.850 -3.282 7.115 0.60 48.41 ? 406 PL9 d C13 1 ? ? +58742 HETATM C C14 A PL9 HS 28 . ? 8.372 -2.639 6.067 0.40 48.52 ? 406 PL9 d C14 1 ? ? +58743 HETATM C C14 B PL9 HS 28 . ? 8.369 -2.626 6.059 0.60 48.17 ? 406 PL9 d C14 1 ? ? +58744 HETATM C C15 A PL9 HS 28 . ? 6.914 -2.570 5.727 0.40 48.42 ? 406 PL9 d C15 1 ? ? +58745 HETATM C C15 B PL9 HS 28 . ? 6.907 -2.549 5.731 0.60 48.11 ? 406 PL9 d C15 1 ? ? +58746 HETATM C C16 A PL9 HS 28 . ? 9.273 -1.835 5.174 0.40 48.35 ? 406 PL9 d C16 1 ? ? +58747 HETATM C C16 B PL9 HS 28 . ? 9.274 -1.903 5.098 0.60 47.99 ? 406 PL9 d C16 1 ? ? +58748 HETATM C C17 A PL9 HS 28 . ? 10.740 -2.234 5.205 0.40 48.38 ? 406 PL9 d C17 1 ? ? +58749 HETATM C C17 B PL9 HS 28 . ? 10.773 -2.173 5.212 0.60 48.05 ? 406 PL9 d C17 1 ? ? +58750 HETATM C C18 A PL9 HS 28 . ? 11.520 -1.511 4.149 0.40 48.19 ? 406 PL9 d C18 1 ? ? +58751 HETATM C C18 B PL9 HS 28 . ? 11.540 -1.499 4.109 0.60 47.85 ? 406 PL9 d C18 1 ? ? +58752 HETATM C C19 A PL9 HS 28 . ? 11.851 -1.942 2.935 0.40 47.91 ? 406 PL9 d C19 1 ? ? +58753 HETATM C C19 B PL9 HS 28 . ? 11.831 -1.967 2.897 0.60 47.60 ? 406 PL9 d C19 1 ? ? +58754 HETATM C C20 A PL9 HS 28 . ? 11.584 -3.332 2.443 0.40 47.59 ? 406 PL9 d C20 1 ? ? +58755 HETATM C C20 B PL9 HS 28 . ? 11.514 -3.363 2.444 0.60 47.27 ? 406 PL9 d C20 1 ? ? +58756 HETATM C C21 A PL9 HS 28 . ? 12.507 -1.029 1.939 0.40 47.93 ? 406 PL9 d C21 1 ? ? +58757 HETATM C C21 B PL9 HS 28 . ? 12.489 -1.096 1.863 0.60 47.64 ? 406 PL9 d C21 1 ? ? +58758 HETATM C C22 A PL9 HS 28 . ? 13.700 -1.657 1.239 0.40 47.90 ? 406 PL9 d C22 1 ? ? +58759 HETATM C C22 B PL9 HS 28 . ? 13.713 -1.727 1.204 0.60 47.67 ? 406 PL9 d C22 1 ? ? +58760 HETATM C C23 A PL9 HS 28 . ? 14.488 -0.666 0.441 0.40 48.03 ? 406 PL9 d C23 1 ? ? +58761 HETATM C C23 B PL9 HS 28 . ? 14.559 -0.747 0.450 0.60 47.87 ? 406 PL9 d C23 1 ? ? +58762 HETATM C C24 A PL9 HS 28 . ? 15.761 -0.742 0.067 0.40 48.31 ? 406 PL9 d C24 1 ? ? +58763 HETATM C C24 B PL9 HS 28 . ? 15.828 -0.877 0.074 0.60 48.22 ? 406 PL9 d C24 1 ? ? +58764 HETATM C C25 A PL9 HS 28 . ? 16.652 -1.898 0.395 0.40 48.33 ? 406 PL9 d C25 1 ? ? +58765 HETATM C C25 B PL9 HS 28 . ? 16.657 -2.085 0.376 0.60 48.22 ? 406 PL9 d C25 1 ? ? +58766 HETATM C C26 A PL9 HS 28 . ? 16.407 0.359 -0.725 0.40 48.55 ? 406 PL9 d C26 1 ? ? +58767 HETATM C C26 B PL9 HS 28 . ? 16.534 0.207 -0.693 0.60 48.55 ? 406 PL9 d C26 1 ? ? +58768 HETATM C C27 A PL9 HS 28 . ? 16.772 -0.054 -2.133 0.40 48.43 ? 406 PL9 d C27 1 ? ? +58769 HETATM C C27 B PL9 HS 28 . ? 16.864 -0.157 -2.126 0.60 48.53 ? 406 PL9 d C27 1 ? ? +58770 HETATM C C28 A PL9 HS 28 . ? 15.560 -0.402 -2.936 0.40 48.38 ? 406 PL9 d C28 1 ? ? +58771 HETATM C C28 B PL9 HS 28 . ? 15.623 -0.466 -2.901 0.60 48.60 ? 406 PL9 d C28 1 ? ? +58772 HETATM C C29 A PL9 HS 28 . ? 15.361 -1.474 -3.695 0.40 48.47 ? 406 PL9 d C29 1 ? ? +58773 HETATM C C29 B PL9 HS 28 . ? 15.365 -1.521 -3.672 0.60 48.84 ? 406 PL9 d C29 1 ? ? +58774 HETATM C C30 A PL9 HS 28 . ? 16.404 -2.524 -3.941 0.40 48.39 ? 406 PL9 d C30 1 ? ? +58775 HETATM C C30 B PL9 HS 28 . ? 16.376 -2.585 -3.996 0.60 48.73 ? 406 PL9 d C30 1 ? ? +58776 HETATM C C31 A PL9 HS 28 . ? 14.031 -1.728 -4.346 0.40 48.46 ? 406 PL9 d C31 1 ? ? +58777 HETATM C C31 B PL9 HS 28 . ? 13.994 -1.756 -4.246 0.60 48.94 ? 406 PL9 d C31 1 ? ? +58778 HETATM C C32 A PL9 HS 28 . ? 13.041 -0.599 -4.164 0.40 48.84 ? 406 PL9 d C32 1 ? ? +58779 HETATM C C32 B PL9 HS 28 . ? 13.087 -0.546 -4.271 0.60 49.40 ? 406 PL9 d C32 1 ? ? +58780 HETATM C C33 A PL9 HS 28 . ? 11.801 -0.830 -4.971 0.40 48.91 ? 406 PL9 d C33 1 ? ? +58781 HETATM C C33 B PL9 HS 28 . ? 11.874 -0.785 -5.115 0.60 49.65 ? 406 PL9 d C33 1 ? ? +58782 HETATM C C34 A PL9 HS 28 . ? 11.142 0.034 -5.735 0.40 49.14 ? 406 PL9 d C34 1 ? ? +58783 HETATM C C34 B PL9 HS 28 . ? 11.119 0.104 -5.754 0.60 50.07 ? 406 PL9 d C34 1 ? ? +58784 HETATM C C35 A PL9 HS 28 . ? 11.454 1.495 -5.817 0.40 49.29 ? 406 PL9 d C35 1 ? ? +58785 HETATM C C35 B PL9 HS 28 . ? 11.282 1.588 -5.655 0.60 50.18 ? 406 PL9 d C35 1 ? ? +58786 HETATM C C36 A PL9 HS 28 . ? 10.062 -0.436 -6.661 0.40 49.17 ? 406 PL9 d C36 1 ? ? +58787 HETATM C C36 B PL9 HS 28 . ? 10.054 -0.348 -6.705 0.60 50.29 ? 406 PL9 d C36 1 ? ? +58788 HETATM C C37 A PL9 HS 28 . ? 8.672 -0.328 -6.108 0.40 49.45 ? 406 PL9 d C37 1 ? ? +58789 HETATM C C37 B PL9 HS 28 . ? 8.693 -0.453 -6.097 0.60 50.65 ? 406 PL9 d C37 1 ? ? +58790 HETATM C C38 A PL9 HS 28 . ? 7.677 -0.685 -7.166 0.40 49.47 ? 406 PL9 d C38 1 ? ? +58791 HETATM C C38 B PL9 HS 28 . ? 7.721 -0.867 -7.155 0.60 50.86 ? 406 PL9 d C38 1 ? ? +58792 HETATM C C39 A PL9 HS 28 . ? 6.685 -1.561 -7.082 0.40 49.71 ? 406 PL9 d C39 1 ? ? +58793 HETATM C C39 B PL9 HS 28 . ? 6.589 -1.541 -7.005 0.60 51.42 ? 406 PL9 d C39 1 ? ? +58794 HETATM C C40 A PL9 HS 28 . ? 6.399 -2.377 -5.853 0.40 50.16 ? 406 PL9 d C40 1 ? ? +58795 HETATM C C40 B PL9 HS 28 . ? 6.051 -1.994 -5.672 0.60 52.03 ? 406 PL9 d C40 1 ? ? +58796 HETATM C C41 A PL9 HS 28 . ? 5.725 -1.757 -8.218 0.40 49.59 ? 406 PL9 d C41 1 ? ? +58797 HETATM C C41 B PL9 HS 28 . ? 5.733 -1.878 -8.190 0.60 51.32 ? 406 PL9 d C41 1 ? ? +58798 HETATM C C42 A PL9 HS 28 . ? 4.439 -1.021 -7.958 0.40 49.75 ? 406 PL9 d C42 1 ? ? +58799 HETATM C C42 B PL9 HS 28 . ? 4.525 -0.988 -8.255 0.60 51.40 ? 406 PL9 d C42 1 ? ? +58800 HETATM C C43 A PL9 HS 28 . ? 3.225 -1.728 -8.461 0.40 49.67 ? 406 PL9 d C43 1 ? ? +58801 HETATM C C43 B PL9 HS 28 . ? 3.266 -1.711 -8.597 0.60 51.33 ? 406 PL9 d C43 1 ? ? +58802 HETATM C C44 A PL9 HS 28 . ? 2.164 -1.178 -9.041 0.40 49.71 ? 406 PL9 d C44 1 ? ? +58803 HETATM C C44 B PL9 HS 28 . ? 2.129 -1.172 -9.022 0.60 51.43 ? 406 PL9 d C44 1 ? ? +58804 HETATM C C45 A PL9 HS 28 . ? 2.095 0.276 -9.393 0.40 49.71 ? 406 PL9 d C45 1 ? ? +58805 HETATM C C45 B PL9 HS 28 . ? 1.972 0.298 -9.271 0.60 51.38 ? 406 PL9 d C45 1 ? ? +58806 HETATM C C46 A PL9 HS 28 . ? 0.926 -1.978 -9.337 0.40 49.80 ? 406 PL9 d C46 1 ? ? +58807 HETATM C C46 B PL9 HS 28 . ? 0.901 -2.012 -9.253 0.60 51.63 ? 406 PL9 d C46 1 ? ? +58808 HETATM C C47 A PL9 HS 28 . ? 1.210 -3.239 -10.123 0.40 49.56 ? 406 PL9 d C47 1 ? ? +58809 HETATM C C47 B PL9 HS 28 . ? 1.155 -3.182 -10.181 0.60 51.41 ? 406 PL9 d C47 1 ? ? +58810 HETATM C C48 A PL9 HS 28 . ? -0.010 -4.036 -10.454 0.40 49.62 ? 406 PL9 d C48 1 ? ? +58811 HETATM C C48 B PL9 HS 28 . ? -0.060 -3.992 -10.503 0.60 51.52 ? 406 PL9 d C48 1 ? ? +58812 HETATM C C49 A PL9 HS 28 . ? -0.198 -4.827 -11.498 0.40 49.41 ? 406 PL9 d C49 1 ? ? +58813 HETATM C C49 B PL9 HS 28 . ? -0.224 -4.842 -11.506 0.60 51.31 ? 406 PL9 d C49 1 ? ? +58814 HETATM C C50 A PL9 HS 28 . ? -1.472 -5.579 -11.732 0.40 49.53 ? 406 PL9 d C50 1 ? ? +58815 HETATM C C50 B PL9 HS 28 . ? -1.504 -5.585 -11.743 0.60 51.44 ? 406 PL9 d C50 1 ? ? +58816 HETATM C C51 A PL9 HS 28 . ? 0.854 -5.023 -12.548 0.40 48.98 ? 406 PL9 d C51 1 ? ? +58817 HETATM C C51 B PL9 HS 28 . ? 0.857 -5.118 -12.510 0.60 50.81 ? 406 PL9 d C51 1 ? ? +58818 HETATM C C52 A PL9 HS 28 . ? 9.220 -7.928 16.365 0.40 51.74 ? 406 PL9 d C52 1 ? ? +58819 HETATM C C52 B PL9 HS 28 . ? 9.178 -7.973 16.576 0.60 51.42 ? 406 PL9 d C52 1 ? ? +58820 HETATM C C53 A PL9 HS 28 . ? 10.508 -5.654 17.778 0.40 52.35 ? 406 PL9 d C53 1 ? ? +58821 HETATM C C53 B PL9 HS 28 . ? 10.501 -5.617 17.833 0.60 51.95 ? 406 PL9 d C53 1 ? ? +58822 HETATM O O1 A PL9 HS 28 . ? 8.009 -7.251 13.937 0.40 50.78 ? 406 PL9 d O1 1 ? ? +58823 HETATM O O1 B PL9 HS 28 . ? 8.087 -7.466 14.038 0.60 50.40 ? 406 PL9 d O1 1 ? ? +58824 HETATM O O2 A PL9 HS 28 . ? 10.267 -3.175 16.457 0.40 51.90 ? 406 PL9 d O2 1 ? ? +58825 HETATM O O2 B PL9 HS 28 . ? 10.280 -3.237 16.356 0.60 51.43 ? 406 PL9 d O2 1 ? ? +58826 HETATM C C1 . BCR HT 30 . ? -2.502 -13.170 1.493 1.00 66.37 ? 102 BCR t C1 1 ? ? +58827 HETATM C C2 . BCR HT 30 . ? -2.398 -12.379 2.803 1.00 66.58 ? 102 BCR t C2 1 ? ? +58828 HETATM C C3 . BCR HT 30 . ? -3.701 -12.069 3.413 1.00 66.59 ? 102 BCR t C3 1 ? ? +58829 HETATM C C4 . BCR HT 30 . ? -4.418 -13.371 3.696 1.00 66.71 ? 102 BCR t C4 1 ? ? +58830 HETATM C C5 . BCR HT 30 . ? -4.509 -14.264 2.493 1.00 66.09 ? 102 BCR t C5 1 ? ? +58831 HETATM C C6 . BCR HT 30 . ? -3.641 -14.186 1.464 1.00 65.09 ? 102 BCR t C6 1 ? ? +58832 HETATM C C7 . BCR HT 30 . ? -3.827 -15.092 0.349 1.00 64.12 ? 102 BCR t C7 1 ? ? +58833 HETATM C C8 . BCR HT 30 . ? -3.133 -15.151 -0.819 1.00 63.06 ? 102 BCR t C8 1 ? ? +58834 HETATM C C9 . BCR HT 30 . ? -3.299 -16.102 -1.822 1.00 62.28 ? 102 BCR t C9 1 ? ? +58835 HETATM C C10 . BCR HT 30 . ? -2.501 -16.037 -2.971 1.00 61.30 ? 102 BCR t C10 1 ? ? +58836 HETATM C C11 . BCR HT 30 . ? -2.480 -16.861 -4.072 1.00 60.97 ? 102 BCR t C11 1 ? ? +58837 HETATM C C33 . BCR HT 30 . ? -5.659 -15.235 2.566 1.00 65.68 ? 102 BCR t C33 1 ? ? +58838 HETATM C C31 . BCR HT 30 . ? -1.139 -13.865 1.306 1.00 65.85 ? 102 BCR t C31 1 ? ? +58839 HETATM C C32 . BCR HT 30 . ? -2.679 -12.133 0.371 1.00 66.92 ? 102 BCR t C32 1 ? ? +58840 HETATM C C34 . BCR HT 30 . ? -4.311 -17.199 -1.732 1.00 62.51 ? 102 BCR t C34 1 ? ? +58841 HETATM C C12 . BCR HT 30 . ? -1.728 -16.673 -5.204 1.00 60.13 ? 102 BCR t C12 1 ? ? +58842 HETATM C C13 . BCR HT 30 . ? -1.739 -17.380 -6.416 1.00 59.69 ? 102 BCR t C13 1 ? ? +58843 HETATM C C14 . BCR HT 30 . ? -0.933 -16.963 -7.490 1.00 58.24 ? 102 BCR t C14 1 ? ? +58844 HETATM C C15 . BCR HT 30 . ? -0.922 -17.394 -8.791 1.00 57.06 ? 102 BCR t C15 1 ? ? +58845 HETATM C C16 . BCR HT 30 . ? -0.040 -17.135 -9.817 1.00 56.01 ? 102 BCR t C16 1 ? ? +58846 HETATM C C17 . BCR HT 30 . ? -0.147 -17.538 -11.127 1.00 55.08 ? 102 BCR t C17 1 ? ? +58847 HETATM C C18 . BCR HT 30 . ? 0.779 -17.465 -12.171 1.00 53.79 ? 102 BCR t C18 1 ? ? +58848 HETATM C C19 . BCR HT 30 . ? 0.384 -17.838 -13.458 1.00 52.70 ? 102 BCR t C19 1 ? ? +58849 HETATM C C20 . BCR HT 30 . ? 1.056 -17.737 -14.639 1.00 52.16 ? 102 BCR t C20 1 ? ? +58850 HETATM C C21 . BCR HT 30 . ? 0.568 -18.096 -15.868 1.00 51.63 ? 102 BCR t C21 1 ? ? +58851 HETATM C C22 . BCR HT 30 . ? 1.125 -17.882 -17.139 1.00 51.14 ? 102 BCR t C22 1 ? ? +58852 HETATM C C23 . BCR HT 30 . ? 0.330 -18.187 -18.238 1.00 50.64 ? 102 BCR t C23 1 ? ? +58853 HETATM C C24 . BCR HT 30 . ? 0.521 -17.819 -19.533 1.00 50.26 ? 102 BCR t C24 1 ? ? +58854 HETATM C C25 . BCR HT 30 . ? -0.309 -18.152 -20.679 1.00 49.77 ? 102 BCR t C25 1 ? ? +58855 HETATM C C26 . BCR HT 30 . ? -1.094 -19.253 -20.730 1.00 49.72 ? 102 BCR t C26 1 ? ? +58856 HETATM C C27 . BCR HT 30 . ? -2.105 -19.457 -21.821 1.00 49.87 ? 102 BCR t C27 1 ? ? +58857 HETATM C C28 . BCR HT 30 . ? -2.474 -18.171 -22.537 1.00 49.76 ? 102 BCR t C28 1 ? ? +58858 HETATM C C29 . BCR HT 30 . ? -1.235 -17.447 -22.934 1.00 49.39 ? 102 BCR t C29 1 ? ? +58859 HETATM C C30 . BCR HT 30 . ? -0.349 -17.072 -21.745 1.00 49.41 ? 102 BCR t C30 1 ? ? +58860 HETATM C C35 . BCR HT 30 . ? -2.588 -18.609 -6.557 1.00 60.41 ? 102 BCR t C35 1 ? ? +58861 HETATM C C36 . BCR HT 30 . ? 2.199 -17.076 -11.891 1.00 53.25 ? 102 BCR t C36 1 ? ? +58862 HETATM C C37 . BCR HT 30 . ? 2.557 -17.395 -17.221 1.00 51.20 ? 102 BCR t C37 1 ? ? +58863 HETATM C C38 . BCR HT 30 . ? -1.085 -20.383 -19.738 1.00 49.48 ? 102 BCR t C38 1 ? ? +58864 HETATM C C39 . BCR HT 30 . ? -0.913 -15.784 -21.127 1.00 49.64 ? 102 BCR t C39 1 ? ? +58865 HETATM C C40 . BCR HT 30 . ? 1.064 -16.765 -22.266 1.00 48.95 ? 102 BCR t C40 1 ? ? +58866 HETATM O O6 . SQD HU 29 . ? 48.254 -36.214 -17.603 1.00 98.52 ? 412 SQD A O6 1 ? ? +58867 HETATM C C44 . SQD HU 29 . ? 46.910 -36.164 -17.092 1.00 92.92 ? 412 SQD A C44 1 ? ? +58868 HETATM C C45 . SQD HU 29 . ? 45.999 -36.492 -18.253 1.00 89.85 ? 412 SQD A C45 1 ? ? +58869 HETATM C C46 . SQD HU 29 . ? 44.994 -35.406 -18.594 1.00 87.54 ? 412 SQD A C46 1 ? ? +58870 HETATM O O47 . SQD HU 29 . ? 46.917 -36.825 -19.340 1.00 85.06 ? 412 SQD A O47 1 ? ? +58871 HETATM C C7 . SQD HU 29 . ? 46.852 -38.053 -19.886 1.00 81.15 ? 412 SQD A C7 1 ? ? +58872 HETATM O O49 . SQD HU 29 . ? 46.027 -38.881 -19.596 1.00 83.58 ? 412 SQD A O49 1 ? ? +58873 HETATM C C8 . SQD HU 29 . ? 47.907 -38.287 -20.912 1.00 78.80 ? 412 SQD A C8 1 ? ? +58874 HETATM C C9 . SQD HU 29 . ? 47.798 -37.386 -22.081 1.00 77.15 ? 412 SQD A C9 1 ? ? +58875 HETATM C C10 . SQD HU 29 . ? 46.376 -37.271 -22.589 1.00 75.83 ? 412 SQD A C10 1 ? ? +58876 HETATM C C11 . SQD HU 29 . ? 46.240 -36.504 -23.865 1.00 75.22 ? 412 SQD A C11 1 ? ? +58877 HETATM C C12 . SQD HU 29 . ? 44.922 -36.749 -24.553 1.00 74.16 ? 412 SQD A C12 1 ? ? +58878 HETATM C C13 . SQD HU 29 . ? 44.694 -35.894 -25.761 1.00 73.88 ? 412 SQD A C13 1 ? ? +58879 HETATM C C14 . SQD HU 29 . ? 43.672 -36.448 -26.716 1.00 74.57 ? 412 SQD A C14 1 ? ? +58880 HETATM C C15 . SQD HU 29 . ? 43.021 -35.391 -27.553 1.00 74.40 ? 412 SQD A C15 1 ? ? +58881 HETATM C C16 . SQD HU 29 . ? 41.977 -35.896 -28.505 1.00 74.12 ? 412 SQD A C16 1 ? ? +58882 HETATM C C17 . SQD HU 29 . ? 41.845 -35.037 -29.734 1.00 74.21 ? 412 SQD A C17 1 ? ? +58883 HETATM C C18 . SQD HU 29 . ? 40.466 -34.966 -30.289 1.00 74.75 ? 412 SQD A C18 1 ? ? +58884 HETATM C C19 . SQD HU 29 . ? 39.469 -34.326 -29.365 1.00 74.98 ? 412 SQD A C19 1 ? ? +58885 HETATM C C20 . SQD HU 29 . ? 38.549 -33.356 -30.048 1.00 74.94 ? 412 SQD A C20 1 ? ? +58886 HETATM C C21 . SQD HU 29 . ? 37.354 -32.975 -29.232 1.00 74.56 ? 412 SQD A C21 1 ? ? +58887 HETATM C C22 . SQD HU 29 . ? 36.523 -34.166 -28.857 1.00 75.54 ? 412 SQD A C22 1 ? ? +58888 HETATM O O48 . SQD HU 29 . ? 45.626 -34.124 -18.841 1.00 87.92 ? 412 SQD A O48 1 ? ? +58889 HETATM C C23 . SQD HU 29 . ? 45.244 -33.458 -19.939 1.00 89.48 ? 412 SQD A C23 1 ? ? +58890 HETATM O O10 . SQD HU 29 . ? 44.553 -33.929 -20.802 1.00 88.40 ? 412 SQD A O10 1 ? ? +58891 HETATM C C24 . SQD HU 29 . ? 45.715 -32.023 -19.947 1.00 92.71 ? 412 SQD A C24 1 ? ? +58892 HETATM C C25 . SQD HU 29 . ? 46.620 -31.667 -21.100 1.00 97.21 ? 412 SQD A C25 1 ? ? +58893 HETATM C C26 . SQD HU 29 . ? 46.920 -30.169 -21.181 1.00 100.88 ? 412 SQD A C26 1 ? ? +58894 HETATM C C27 . SQD HU 29 . ? 48.248 -29.809 -21.824 1.00 105.48 ? 412 SQD A C27 1 ? ? +58895 HETATM C C28 . SQD HU 29 . ? 48.302 -28.417 -22.426 1.00 109.08 ? 412 SQD A C28 1 ? ? +58896 HETATM C C29 . SQD HU 29 . ? 47.789 -28.321 -23.851 1.00 112.87 ? 412 SQD A C29 1 ? ? +58897 HETATM C C30 . SQD HU 29 . ? 48.701 -27.576 -24.803 1.00 117.08 ? 412 SQD A C30 1 ? ? +58898 HETATM C C31 . SQD HU 29 . ? 48.382 -27.780 -26.272 1.00 120.45 ? 412 SQD A C31 1 ? ? +58899 HETATM C C32 . SQD HU 29 . ? 47.089 -27.141 -26.753 1.00 118.28 ? 412 SQD A C32 1 ? ? +58900 HETATM C C33 . SQD HU 29 . ? 47.163 -26.598 -28.166 1.00 118.96 ? 412 SQD A C33 1 ? ? +58901 HETATM C C34 . SQD HU 29 . ? 46.026 -25.680 -28.562 1.00 118.15 ? 412 SQD A C34 1 ? ? +58902 HETATM C C35 . SQD HU 29 . ? 46.289 -24.860 -29.814 1.00 116.96 ? 412 SQD A C35 1 ? ? +58903 HETATM C C36 . SQD HU 29 . ? 45.174 -23.912 -30.176 1.00 116.39 ? 412 SQD A C36 1 ? ? +58904 HETATM C C37 . SQD HU 29 . ? 45.051 -23.527 -31.630 1.00 114.49 ? 412 SQD A C37 1 ? ? +58905 HETATM C C38 . SQD HU 29 . ? 43.692 -22.924 -31.936 1.00 114.14 ? 412 SQD A C38 1 ? ? +58906 HETATM C C1 . SQD HU 29 . ? 49.232 -36.609 -16.683 1.00 105.84 ? 412 SQD A C1 1 ? ? +58907 HETATM C C2 . SQD HU 29 . ? 50.251 -37.519 -17.355 1.00 106.23 ? 412 SQD A C2 1 ? ? +58908 HETATM O O2 . SQD HU 29 . ? 49.618 -38.582 -18.064 1.00 108.93 ? 412 SQD A O2 1 ? ? +58909 HETATM C C3 . SQD HU 29 . ? 51.180 -38.025 -16.278 1.00 105.53 ? 412 SQD A C3 1 ? ? +58910 HETATM O O3 . SQD HU 29 . ? 52.150 -38.902 -16.841 1.00 104.87 ? 412 SQD A O3 1 ? ? +58911 HETATM C C4 . SQD HU 29 . ? 51.844 -36.852 -15.576 1.00 106.67 ? 412 SQD A C4 1 ? ? +58912 HETATM O O4 . SQD HU 29 . ? 52.510 -37.328 -14.422 1.00 110.13 ? 412 SQD A O4 1 ? ? +58913 HETATM C C5 . SQD HU 29 . ? 50.823 -35.810 -15.121 1.00 108.70 ? 412 SQD A C5 1 ? ? +58914 HETATM C C6 . SQD HU 29 . ? 51.455 -34.520 -14.634 1.00 112.65 ? 412 SQD A C6 1 ? ? +58915 HETATM O O5 . SQD HU 29 . ? 49.919 -35.472 -16.196 1.00 107.69 ? 412 SQD A O5 1 ? ? +58916 HETATM S S . SQD HU 29 . ? 50.533 -33.655 -13.396 1.00 114.44 ? 412 SQD A S 1 ? ? +58917 HETATM O O7 . SQD HU 29 . ? 49.348 -33.172 -14.026 1.00 111.37 ? 412 SQD A O7 1 ? ? +58918 HETATM O O8 . SQD HU 29 . ? 50.190 -34.742 -12.346 1.00 111.71 ? 412 SQD A O8 1 ? ? +58919 HETATM O O9 . SQD HU 29 . ? 51.437 -32.723 -12.798 1.00 120.53 ? 412 SQD A O9 1 ? ? +58920 HETATM C C1 . BCR HV 30 . ? 3.270 -28.210 -24.576 1.00 56.49 ? 618 BCR B C1 1 ? ? +58921 HETATM C C2 . BCR HV 30 . ? 4.077 -28.118 -25.873 1.00 56.63 ? 618 BCR B C2 1 ? ? +58922 HETATM C C3 . BCR HV 30 . ? 4.414 -26.727 -26.277 1.00 56.09 ? 618 BCR B C3 1 ? ? +58923 HETATM C C4 . BCR HV 30 . ? 5.142 -25.982 -25.166 1.00 55.34 ? 618 BCR B C4 1 ? ? +58924 HETATM C C5 . BCR HV 30 . ? 4.557 -26.195 -23.798 1.00 55.11 ? 618 BCR B C5 1 ? ? +58925 HETATM C C6 . BCR HV 30 . ? 3.605 -27.125 -23.567 1.00 55.41 ? 618 BCR B C6 1 ? ? +58926 HETATM C C7 . BCR HV 30 . ? 2.885 -27.228 -22.300 1.00 54.71 ? 618 BCR B C7 1 ? ? +58927 HETATM C C8 . BCR HV 30 . ? 2.528 -26.212 -21.454 1.00 53.55 ? 618 BCR B C8 1 ? ? +58928 HETATM C C9 . BCR HV 30 . ? 1.817 -26.311 -20.261 1.00 52.27 ? 618 BCR B C9 1 ? ? +58929 HETATM C C10 . BCR HV 30 . ? 1.316 -25.147 -19.668 1.00 51.86 ? 618 BCR B C10 1 ? ? +58930 HETATM C C11 . BCR HV 30 . ? 0.474 -25.009 -18.575 1.00 51.90 ? 618 BCR B C11 1 ? ? +58931 HETATM C C33 . BCR HV 30 . ? 5.125 -25.259 -22.766 1.00 54.63 ? 618 BCR B C33 1 ? ? +58932 HETATM C C31 . BCR HV 30 . ? 3.540 -29.595 -23.963 1.00 57.13 ? 618 BCR B C31 1 ? ? +58933 HETATM C C32 . BCR HV 30 . ? 1.781 -28.113 -24.953 1.00 57.36 ? 618 BCR B C32 1 ? ? +58934 HETATM C C34 . BCR HV 30 . ? 1.598 -27.597 -19.566 1.00 51.84 ? 618 BCR B C34 1 ? ? +58935 HETATM C C12 . BCR HV 30 . ? -0.125 -23.860 -18.077 1.00 50.95 ? 618 BCR B C12 1 ? ? +58936 HETATM C C13 . BCR HV 30 . ? -0.917 -23.708 -16.929 1.00 50.14 ? 618 BCR B C13 1 ? ? +58937 HETATM C C14 . BCR HV 30 . ? -1.408 -22.457 -16.536 1.00 49.53 ? 618 BCR B C14 1 ? ? +58938 HETATM C C15 . BCR HV 30 . ? -2.217 -22.116 -15.469 1.00 49.14 ? 618 BCR B C15 1 ? ? +58939 HETATM C C16 . BCR HV 30 . ? -2.746 -20.888 -15.108 1.00 48.54 ? 618 BCR B C16 1 ? ? +58940 HETATM C C17 . BCR HV 30 . ? -3.345 -20.541 -13.922 1.00 48.40 ? 618 BCR B C17 1 ? ? +58941 HETATM C C18 . BCR HV 30 . ? -3.673 -19.288 -13.430 1.00 48.48 ? 618 BCR B C18 1 ? ? +58942 HETATM C C19 . BCR HV 30 . ? -4.282 -19.121 -12.182 1.00 49.31 ? 618 BCR B C19 1 ? ? +58943 HETATM C C20 . BCR HV 30 . ? -4.699 -17.961 -11.545 1.00 50.17 ? 618 BCR B C20 1 ? ? +58944 HETATM C C21 . BCR HV 30 . ? -5.324 -17.913 -10.315 1.00 51.44 ? 618 BCR B C21 1 ? ? +58945 HETATM C C22 . BCR HV 30 . ? -5.792 -16.817 -9.560 1.00 52.64 ? 618 BCR B C22 1 ? ? +58946 HETATM C C23 . BCR HV 30 . ? -6.438 -17.057 -8.316 1.00 54.22 ? 618 BCR B C23 1 ? ? +58947 HETATM C C24 . BCR HV 30 . ? -7.228 -16.178 -7.604 1.00 55.53 ? 618 BCR B C24 1 ? ? +58948 HETATM C C25 . BCR HV 30 . ? -7.781 -16.323 -6.262 1.00 56.70 ? 618 BCR B C25 1 ? ? +58949 HETATM C C26 . BCR HV 30 . ? -7.155 -16.975 -5.255 1.00 57.15 ? 618 BCR B C26 1 ? ? +58950 HETATM C C27 . BCR HV 30 . ? -7.839 -17.151 -3.932 1.00 57.80 ? 618 BCR B C27 1 ? ? +58951 HETATM C C28 . BCR HV 30 . ? -9.349 -17.297 -4.072 1.00 58.40 ? 618 BCR B C28 1 ? ? +58952 HETATM C C29 . BCR HV 30 . ? -9.933 -16.161 -4.827 1.00 58.40 ? 618 BCR B C29 1 ? ? +58953 HETATM C C30 . BCR HV 30 . ? -9.231 -15.856 -6.158 1.00 58.32 ? 618 BCR B C30 1 ? ? +58954 HETATM C C35 . BCR HV 30 . ? -1.243 -24.907 -16.115 1.00 49.91 ? 618 BCR B C35 1 ? ? +58955 HETATM C C36 . BCR HV 30 . ? -3.319 -18.096 -14.226 1.00 48.04 ? 618 BCR B C36 1 ? ? +58956 HETATM C C37 . BCR HV 30 . ? -5.513 -15.446 -10.094 1.00 52.04 ? 618 BCR B C37 1 ? ? +58957 HETATM C C38 . BCR HV 30 . ? -5.781 -17.597 -5.303 1.00 57.22 ? 618 BCR B C38 1 ? ? +58958 HETATM C C39 . BCR HV 30 . ? -9.330 -14.335 -6.391 1.00 59.22 ? 618 BCR B C39 1 ? ? +58959 HETATM C C40 . BCR HV 30 . ? -10.064 -16.543 -7.251 1.00 58.11 ? 618 BCR B C40 1 ? ? +58960 HETATM MG MG . CLA HW 33 . ? 58.058 -73.491 -52.238 1.00 67.31 ? 513 CLA C MG 1 ? ? +58961 HETATM C CHA . CLA HW 33 . ? 54.785 -73.371 -53.543 1.00 65.82 ? 513 CLA C CHA 1 ? ? +58962 HETATM C CHB . CLA HW 33 . ? 59.249 -73.211 -55.335 1.00 68.36 ? 513 CLA C CHB 1 ? ? +58963 HETATM C CHC . CLA HW 33 . ? 61.104 -75.046 -51.196 1.00 69.52 ? 513 CLA C CHC 1 ? ? +58964 HETATM C CHD . CLA HW 33 . ? 56.606 -74.870 -49.184 1.00 66.98 ? 513 CLA C CHD 1 ? ? +58965 HETATM N NA . CLA HW 33 . ? 57.200 -73.365 -54.069 1.00 67.33 ? 513 CLA C NA 1 ? ? +58966 HETATM C C1A . CLA HW 33 . ? 55.940 -73.189 -54.419 1.00 66.83 ? 513 CLA C C1A 1 ? ? +58967 HETATM C C2A . CLA HW 33 . ? 55.687 -72.855 -55.868 1.00 67.22 ? 513 CLA C C2A 1 ? ? +58968 HETATM C C3A . CLA HW 33 . ? 57.099 -72.894 -56.410 1.00 67.75 ? 513 CLA C C3A 1 ? ? +58969 HETATM C C4A . CLA HW 33 . ? 57.925 -73.187 -55.191 1.00 67.87 ? 513 CLA C C4A 1 ? ? +58970 HETATM C CMA . CLA HW 33 . ? 57.263 -73.970 -57.473 1.00 68.40 ? 513 CLA C CMA 1 ? ? +58971 HETATM C CAA . CLA HW 33 . ? 55.019 -71.508 -56.155 1.00 67.22 ? 513 CLA C CAA 1 ? ? +58972 HETATM C CBA . CLA HW 33 . ? 54.629 -71.412 -57.632 1.00 68.09 ? 513 CLA C CBA 1 ? ? +58973 HETATM C CGA . CLA HW 33 . ? 54.203 -70.010 -58.026 1.00 68.83 ? 513 CLA C CGA 1 ? ? +58974 HETATM O O1A . CLA HW 33 . ? 53.059 -69.603 -57.888 1.00 69.18 ? 513 CLA C O1A 1 ? ? +58975 HETATM O O2A . CLA HW 33 . ? 55.145 -69.073 -58.589 1.00 70.98 ? 513 CLA C O2A 1 ? ? +58976 HETATM N NB . CLA HW 33 . ? 59.854 -74.094 -53.097 1.00 68.66 ? 513 CLA C NB 1 ? ? +58977 HETATM C C1B . CLA HW 33 . ? 60.197 -73.774 -54.367 1.00 68.90 ? 513 CLA C C1B 1 ? ? +58978 HETATM C C2B . CLA HW 33 . ? 61.540 -74.177 -54.842 1.00 69.80 ? 513 CLA C C2B 1 ? ? +58979 HETATM C C3B . CLA HW 33 . ? 62.109 -74.722 -53.618 1.00 70.35 ? 513 CLA C C3B 1 ? ? +58980 HETATM C C4B . CLA HW 33 . ? 61.018 -74.603 -52.591 1.00 69.43 ? 513 CLA C C4B 1 ? ? +58981 HETATM C CMB . CLA HW 33 . ? 62.160 -73.994 -56.207 1.00 70.15 ? 513 CLA C CMB 1 ? ? +58982 HETATM C CAB . CLA HW 33 . ? 63.486 -75.301 -53.651 1.00 71.59 ? 513 CLA C CAB 1 ? ? +58983 HETATM C CBB . CLA HW 33 . ? 63.982 -76.074 -52.721 1.00 72.30 ? 513 CLA C CBB 1 ? ? +58984 HETATM N NC . CLA HW 33 . ? 58.652 -74.692 -50.626 1.00 68.01 ? 513 CLA C NC 1 ? ? +58985 HETATM C C1C . CLA HW 33 . ? 59.928 -75.134 -50.312 1.00 68.87 ? 513 CLA C C1C 1 ? ? +58986 HETATM C C2C . CLA HW 33 . ? 60.071 -75.884 -49.036 1.00 69.18 ? 513 CLA C C2C 1 ? ? +58987 HETATM C C3C . CLA HW 33 . ? 58.746 -75.823 -48.450 1.00 68.35 ? 513 CLA C C3C 1 ? ? +58988 HETATM C C4C . CLA HW 33 . ? 58.015 -75.040 -49.462 1.00 67.71 ? 513 CLA C C4C 1 ? ? +58989 HETATM C CMC . CLA HW 33 . ? 61.270 -76.520 -48.424 1.00 70.13 ? 513 CLA C CMC 1 ? ? +58990 HETATM C CAC . CLA HW 33 . ? 58.255 -76.381 -47.128 1.00 68.25 ? 513 CLA C CAC 1 ? ? +58991 HETATM C CBC . CLA HW 33 . ? 57.568 -77.711 -47.310 1.00 68.43 ? 513 CLA C CBC 1 ? ? +58992 HETATM N ND . CLA HW 33 . ? 56.181 -73.975 -51.513 1.00 66.55 ? 513 CLA C ND 1 ? ? +58993 HETATM C C1D . CLA HW 33 . ? 55.717 -74.556 -50.265 1.00 66.48 ? 513 CLA C C1D 1 ? ? +58994 HETATM C C2D . CLA HW 33 . ? 54.227 -74.474 -50.178 1.00 65.66 ? 513 CLA C C2D 1 ? ? +58995 HETATM C C3D . CLA HW 33 . ? 53.932 -73.998 -51.540 1.00 65.41 ? 513 CLA C C3D 1 ? ? +58996 HETATM C C4D . CLA HW 33 . ? 55.054 -73.935 -52.265 1.00 65.97 ? 513 CLA C C4D 1 ? ? +58997 HETATM C CMD . CLA HW 33 . ? 53.168 -74.757 -49.152 1.00 65.23 ? 513 CLA C CMD 1 ? ? +58998 HETATM C CAD . CLA HW 33 . ? 52.784 -73.706 -52.419 1.00 64.76 ? 513 CLA C CAD 1 ? ? +58999 HETATM O OBD . CLA HW 33 . ? 51.570 -73.767 -52.045 1.00 64.09 ? 513 CLA C OBD 1 ? ? +59000 HETATM C CBD . CLA HW 33 . ? 53.307 -73.243 -53.745 1.00 64.92 ? 513 CLA C CBD 1 ? ? +59001 HETATM C CGD . CLA HW 33 . ? 52.767 -74.006 -54.896 1.00 64.99 ? 513 CLA C CGD 1 ? ? +59002 HETATM O O1D . CLA HW 33 . ? 52.058 -73.457 -55.702 1.00 64.34 ? 513 CLA C O1D 1 ? ? +59003 HETATM O O2D . CLA HW 33 . ? 53.085 -75.394 -55.083 1.00 65.85 ? 513 CLA C O2D 1 ? ? +59004 HETATM C CED . CLA HW 33 . ? 52.282 -76.146 -55.976 1.00 65.86 ? 513 CLA C CED 1 ? ? +59005 HETATM C C1 . CLA HW 33 . ? 54.711 -68.022 -59.458 1.00 71.85 ? 513 CLA C C1 1 ? ? +59006 HETATM C C2 . CLA HW 33 . ? 55.843 -67.746 -60.427 1.00 73.63 ? 513 CLA C C2 1 ? ? +59007 HETATM C C3 . CLA HW 33 . ? 55.920 -68.395 -61.594 1.00 75.50 ? 513 CLA C C3 1 ? ? +59008 HETATM C C4 . CLA HW 33 . ? 54.848 -69.390 -61.936 1.00 75.10 ? 513 CLA C C4 1 ? ? +59009 HETATM C C5 . CLA HW 33 . ? 57.078 -68.108 -62.528 1.00 77.63 ? 513 CLA C C5 1 ? ? +59010 HETATM C C6 . CLA HW 33 . ? 57.644 -69.397 -63.109 1.00 80.03 ? 513 CLA C C6 1 ? ? +59011 HETATM C C7 . CLA HW 33 . ? 58.834 -69.952 -62.324 1.00 83.14 ? 513 CLA C C7 1 ? ? +59012 HETATM C C8 . CLA HW 33 . ? 58.916 -71.483 -62.438 1.00 86.08 ? 513 CLA C C8 1 ? ? +59013 HETATM C C9 . CLA HW 33 . ? 58.113 -72.240 -63.484 1.00 86.34 ? 513 CLA C C9 1 ? ? +59014 HETATM C C10 . CLA HW 33 . ? 59.959 -72.316 -61.697 1.00 89.41 ? 513 CLA C C10 1 ? ? +59015 HETATM C C11 . CLA HW 33 . ? 61.407 -71.846 -61.638 1.00 91.97 ? 513 CLA C C11 1 ? ? +59016 HETATM C C12 . CLA HW 33 . ? 62.109 -72.738 -60.607 1.00 94.63 ? 513 CLA C C12 1 ? ? +59017 HETATM C C13 . CLA HW 33 . ? 63.447 -73.285 -61.100 1.00 98.41 ? 513 CLA C C13 1 ? ? +59018 HETATM C C14 . CLA HW 33 . ? 63.222 -74.520 -61.977 1.00 98.81 ? 513 CLA C C14 1 ? ? +59019 HETATM C C15 . CLA HW 33 . ? 64.341 -73.630 -59.908 1.00 100.80 ? 513 CLA C C15 1 ? ? +59020 HETATM C C16 . CLA HW 33 . ? 64.793 -72.465 -59.002 1.00 101.73 ? 513 CLA C C16 1 ? ? +59021 HETATM C C17 . CLA HW 33 . ? 65.696 -73.114 -57.944 1.00 103.85 ? 513 CLA C C17 1 ? ? +59022 HETATM C C18 . CLA HW 33 . ? 66.153 -72.379 -56.687 1.00 104.17 ? 513 CLA C C18 1 ? ? +59023 HETATM C C19 . CLA HW 33 . ? 67.577 -72.595 -56.186 1.00 104.31 ? 513 CLA C C19 1 ? ? +59024 HETATM C C20 . CLA HW 33 . ? 65.167 -71.578 -55.923 1.00 103.45 ? 513 CLA C C20 1 ? ? +59025 HETATM C CHA . HEM HX 42 . ? 5.076 -85.654 -39.788 1.00 70.37 ? 102 HEM F CHA 1 ? ? +59026 HETATM C CHB . HEM HX 42 . ? 1.513 -86.608 -42.877 1.00 72.02 ? 102 HEM F CHB 1 ? ? +59027 HETATM C CHC . HEM HX 42 . ? 3.148 -83.034 -45.721 1.00 69.09 ? 102 HEM F CHC 1 ? ? +59028 HETATM C CHD . HEM HX 42 . ? 7.003 -82.446 -42.830 1.00 67.62 ? 102 HEM F CHD 1 ? ? +59029 HETATM C C1A . HEM HX 42 . ? 3.997 -86.258 -40.405 1.00 71.11 ? 102 HEM F C1A 1 ? ? +59030 HETATM C C2A . HEM HX 42 . ? 3.417 -87.495 -40.038 1.00 72.09 ? 102 HEM F C2A 1 ? ? +59031 HETATM C C3A . HEM HX 42 . ? 2.423 -87.767 -40.915 1.00 72.33 ? 102 HEM F C3A 1 ? ? +59032 HETATM C C4A . HEM HX 42 . ? 2.373 -86.685 -41.813 1.00 71.74 ? 102 HEM F C4A 1 ? ? +59033 HETATM C CMA . HEM HX 42 . ? 1.528 -88.982 -40.905 1.00 73.15 ? 102 HEM F CMA 1 ? ? +59034 HETATM C CAA . HEM HX 42 . ? 3.864 -88.400 -38.917 1.00 72.93 ? 102 HEM F CAA 1 ? ? +59035 HETATM C CBA . HEM HX 42 . ? 5.040 -89.171 -39.581 1.00 73.06 ? 102 HEM F CBA 1 ? ? +59036 HETATM C CGA . HEM HX 42 . ? 5.581 -90.348 -38.814 1.00 73.75 ? 102 HEM F CGA 1 ? ? +59037 HETATM O O1A . HEM HX 42 . ? 5.987 -91.352 -39.447 1.00 74.13 ? 102 HEM F O1A 1 ? ? +59038 HETATM O O2A . HEM HX 42 . ? 5.636 -90.328 -37.564 1.00 73.99 ? 102 HEM F O2A 1 ? ? +59039 HETATM C C1B . HEM HX 42 . ? 1.663 -85.680 -43.900 1.00 71.37 ? 102 HEM F C1B 1 ? ? +59040 HETATM C C2B . HEM HX 42 . ? 0.684 -85.535 -44.932 1.00 71.62 ? 102 HEM F C2B 1 ? ? +59041 HETATM C C3B . HEM HX 42 . ? 1.118 -84.531 -45.757 1.00 71.05 ? 102 HEM F C3B 1 ? ? +59042 HETATM C C4B . HEM HX 42 . ? 2.401 -84.071 -45.158 1.00 69.95 ? 102 HEM F C4B 1 ? ? +59043 HETATM C CMB . HEM HX 42 . ? -0.583 -86.332 -45.078 1.00 72.54 ? 102 HEM F CMB 1 ? ? +59044 HETATM C CAB . HEM HX 42 . ? 0.480 -83.915 -46.960 1.00 70.93 ? 102 HEM F CAB 1 ? ? +59045 HETATM C CBB . HEM HX 42 . ? -0.785 -84.104 -47.322 1.00 71.40 ? 102 HEM F CBB 1 ? ? +59046 HETATM C C1C . HEM HX 42 . ? 4.371 -82.569 -45.215 1.00 68.50 ? 102 HEM F C1C 1 ? ? +59047 HETATM C C2C . HEM HX 42 . ? 5.214 -81.637 -45.839 1.00 67.36 ? 102 HEM F C2C 1 ? ? +59048 HETATM C C3C . HEM HX 42 . ? 6.314 -81.452 -45.025 1.00 67.11 ? 102 HEM F C3C 1 ? ? +59049 HETATM C C4C . HEM HX 42 . ? 6.154 -82.321 -43.895 1.00 67.83 ? 102 HEM F C4C 1 ? ? +59050 HETATM C CMC . HEM HX 42 . ? 4.969 -80.939 -47.150 1.00 67.00 ? 102 HEM F CMC 1 ? ? +59051 HETATM C CAC . HEM HX 42 . ? 7.461 -80.611 -45.419 1.00 66.36 ? 102 HEM F CAC 1 ? ? +59052 HETATM C CBC . HEM HX 42 . ? 8.679 -80.921 -45.001 1.00 66.41 ? 102 HEM F CBC 1 ? ? +59053 HETATM C C1D . HEM HX 42 . ? 6.742 -83.268 -41.741 1.00 68.07 ? 102 HEM F C1D 1 ? ? +59054 HETATM C C2D . HEM HX 42 . ? 7.570 -83.227 -40.524 1.00 67.86 ? 102 HEM F C2D 1 ? ? +59055 HETATM C C3D . HEM HX 42 . ? 7.035 -84.136 -39.701 1.00 68.44 ? 102 HEM F C3D 1 ? ? +59056 HETATM C C4D . HEM HX 42 . ? 5.868 -84.685 -40.382 1.00 69.32 ? 102 HEM F C4D 1 ? ? +59057 HETATM C CMD . HEM HX 42 . ? 8.783 -82.371 -40.217 1.00 67.14 ? 102 HEM F CMD 1 ? ? +59058 HETATM C CAD . HEM HX 42 . ? 7.431 -84.435 -38.283 1.00 68.44 ? 102 HEM F CAD 1 ? ? +59059 HETATM C CBD . HEM HX 42 . ? 6.308 -83.611 -37.554 1.00 67.99 ? 102 HEM F CBD 1 ? ? +59060 HETATM C CGD . HEM HX 42 . ? 6.289 -83.500 -36.038 1.00 67.83 ? 102 HEM F CGD 1 ? ? +59061 HETATM O O1D . HEM HX 42 . ? 6.148 -82.379 -35.506 1.00 66.84 ? 102 HEM F O1D 1 ? ? +59062 HETATM O O2D . HEM HX 42 . ? 6.358 -84.501 -35.293 1.00 68.55 ? 102 HEM F O2D 1 ? ? +59063 HETATM N NA . HEM HX 42 . ? 3.361 -85.783 -41.517 1.00 70.88 ? 102 HEM F NA 1 ? ? +59064 HETATM N NB . HEM HX 42 . ? 2.670 -84.815 -44.059 1.00 70.33 ? 102 HEM F NB 1 ? ? +59065 HETATM N NC . HEM HX 42 . ? 4.961 -82.989 -44.033 1.00 68.68 ? 102 HEM F NC 1 ? ? +59066 HETATM N ND . HEM HX 42 . ? 5.752 -84.154 -41.591 1.00 69.05 ? 102 HEM F ND 1 ? ? +59067 HETATM FE FE . HEM HX 42 . ? 4.357 -84.576 -42.754 1.00 70.41 ? 102 HEM F FE 1 ? ? +59068 HETATM MG MG A CLA HY 33 . ? 7.918 16.753 -0.901 0.40 49.70 ? 404 CLA a MG 1 ? ? +59069 HETATM MG MG B CLA HY 33 . ? 7.977 16.612 -1.009 0.60 48.85 ? 404 CLA a MG 1 ? ? +59070 HETATM C CHA A CLA HY 33 . ? 5.125 14.760 -0.225 0.40 49.48 ? 404 CLA a CHA 1 ? ? +59071 HETATM C CHA B CLA HY 33 . ? 5.148 14.755 -0.171 0.60 48.82 ? 404 CLA a CHA 1 ? ? +59072 HETATM C CHB A CLA HY 33 . ? 9.760 14.568 0.998 0.40 49.67 ? 404 CLA a CHB 1 ? ? +59073 HETATM C CHB B CLA HY 33 . ? 9.836 14.508 0.935 0.60 48.86 ? 404 CLA a CHB 1 ? ? +59074 HETATM C CHC A CLA HY 33 . ? 10.841 17.241 -2.895 0.40 49.44 ? 404 CLA a CHC 1 ? ? +59075 HETATM C CHC B CLA HY 33 . ? 10.876 17.225 -2.933 0.60 48.62 ? 404 CLA a CHC 1 ? ? +59076 HETATM C CHD A CLA HY 33 . ? 6.118 17.992 -3.805 0.40 49.40 ? 404 CLA a CHD 1 ? ? +59077 HETATM C CHD B CLA HY 33 . ? 6.119 17.874 -3.869 0.60 48.58 ? 404 CLA a CHD 1 ? ? +59078 HETATM N NA A CLA HY 33 . ? 7.548 15.047 0.137 0.40 49.63 ? 404 CLA a NA 1 ? ? +59079 HETATM N NA B CLA HY 33 . ? 7.599 14.963 0.102 0.60 48.85 ? 404 CLA a NA 1 ? ? +59080 HETATM C C1A A CLA HY 33 . ? 6.417 14.427 0.370 0.40 49.58 ? 404 CLA a C1A 1 ? ? +59081 HETATM C C1A B CLA HY 33 . ? 6.450 14.400 0.395 0.60 48.86 ? 404 CLA a C1A 1 ? ? +59082 HETATM C C2A A CLA HY 33 . ? 6.449 13.388 1.455 0.40 49.72 ? 404 CLA a C2A 1 ? ? +59083 HETATM C C2A B CLA HY 33 . ? 6.497 13.394 1.505 0.60 49.01 ? 404 CLA a C2A 1 ? ? +59084 HETATM C C3A A CLA HY 33 . ? 7.848 13.558 1.991 0.40 49.80 ? 404 CLA a C3A 1 ? ? +59085 HETATM C C3A B CLA HY 33 . ? 7.918 13.547 1.999 0.60 49.06 ? 404 CLA a C3A 1 ? ? +59086 HETATM C C4A A CLA HY 33 . ? 8.446 14.452 0.962 0.40 49.70 ? 404 CLA a C4A 1 ? ? +59087 HETATM C C4A B CLA HY 33 . ? 8.516 14.384 0.924 0.60 48.92 ? 404 CLA a C4A 1 ? ? +59088 HETATM C CMA A CLA HY 33 . ? 7.926 14.271 3.336 0.40 50.30 ? 404 CLA a CMA 1 ? ? +59089 HETATM C CMA B CLA HY 33 . ? 8.019 14.298 3.323 0.60 49.57 ? 404 CLA a CMA 1 ? ? +59090 HETATM C CAA A CLA HY 33 . ? 6.184 12.006 0.866 0.40 49.44 ? 404 CLA a CAA 1 ? ? +59091 HETATM C CAA B CLA HY 33 . ? 6.211 12.006 0.949 0.60 48.74 ? 404 CLA a CAA 1 ? ? +59092 HETATM C CBA A CLA HY 33 . ? 6.229 10.879 1.892 0.40 49.60 ? 404 CLA a CBA 1 ? ? +59093 HETATM C CBA B CLA HY 33 . ? 6.224 10.920 2.015 0.60 48.92 ? 404 CLA a CBA 1 ? ? +59094 HETATM C CGA A CLA HY 33 . ? 4.836 10.588 2.391 0.40 49.87 ? 404 CLA a CGA 1 ? ? +59095 HETATM C CGA B CLA HY 33 . ? 4.893 10.862 2.703 0.60 49.29 ? 404 CLA a CGA 1 ? ? +59096 HETATM O O1A A CLA HY 33 . ? 3.860 10.841 1.713 0.40 49.81 ? 404 CLA a O1A 1 ? ? +59097 HETATM O O1A B CLA HY 33 . ? 4.039 11.709 2.539 0.60 49.50 ? 404 CLA a O1A 1 ? ? +59098 HETATM O O2A A CLA HY 33 . ? 4.632 9.992 3.693 0.40 50.38 ? 404 CLA a O2A 1 ? ? +59099 HETATM O O2A B CLA HY 33 . ? 4.647 9.759 3.592 0.60 49.59 ? 404 CLA a O2A 1 ? ? +59100 HETATM N NB A CLA HY 33 . ? 9.874 16.035 -0.958 0.40 49.54 ? 404 CLA a NB 1 ? ? +59101 HETATM N NB B CLA HY 33 . ? 9.955 15.962 -1.032 0.60 48.71 ? 404 CLA a NB 1 ? ? +59102 HETATM C C1B A CLA HY 33 . ? 10.500 15.237 -0.051 0.40 49.55 ? 404 CLA a C1B 1 ? ? +59103 HETATM C C1B B CLA HY 33 . ? 10.582 15.200 -0.102 0.60 48.74 ? 404 CLA a C1B 1 ? ? +59104 HETATM C C2B A CLA HY 33 . ? 11.933 14.899 -0.246 0.40 49.47 ? 404 CLA a C2B 1 ? ? +59105 HETATM C C2B B CLA HY 33 . ? 12.034 14.928 -0.257 0.60 48.67 ? 404 CLA a C2B 1 ? ? +59106 HETATM C C3B A CLA HY 33 . ? 12.207 15.725 -1.412 0.40 49.45 ? 404 CLA a C3B 1 ? ? +59107 HETATM C C3B B CLA HY 33 . ? 12.316 15.755 -1.428 0.60 48.64 ? 404 CLA a C3B 1 ? ? +59108 HETATM C C4B A CLA HY 33 . ? 10.928 16.378 -1.733 0.40 49.47 ? 404 CLA a C4B 1 ? ? +59109 HETATM C C4B B CLA HY 33 . ? 11.011 16.357 -1.775 0.60 48.64 ? 404 CLA a C4B 1 ? ? +59110 HETATM C CMB A CLA HY 33 . ? 12.813 14.007 0.586 0.40 49.49 ? 404 CLA a CMB 1 ? ? +59111 HETATM C CMB B CLA HY 33 . ? 12.885 14.070 0.631 0.60 48.69 ? 404 CLA a CMB 1 ? ? +59112 HETATM C CAB A CLA HY 33 . ? 13.444 15.852 -2.199 0.40 49.45 ? 404 CLA a CAB 1 ? ? +59113 HETATM C CAB B CLA HY 33 . ? 13.571 15.984 -2.182 0.60 48.65 ? 404 CLA a CAB 1 ? ? +59114 HETATM C CBB A CLA HY 33 . ? 14.407 14.974 -2.026 0.40 49.39 ? 404 CLA a CBB 1 ? ? +59115 HETATM C CBB B CLA HY 33 . ? 14.681 15.319 -1.952 0.60 48.66 ? 404 CLA a CBB 1 ? ? +59116 HETATM N NC A CLA HY 33 . ? 8.366 17.401 -2.856 0.40 49.42 ? 404 CLA a NC 1 ? ? +59117 HETATM N NC B CLA HY 33 . ? 8.388 17.310 -2.943 0.60 48.58 ? 404 CLA a NC 1 ? ? +59118 HETATM C C1C A CLA HY 33 . ? 9.563 17.640 -3.465 0.40 49.41 ? 404 CLA a C1C 1 ? ? +59119 HETATM C C1C B CLA HY 33 . ? 9.586 17.599 -3.512 0.60 48.58 ? 404 CLA a C1C 1 ? ? +59120 HETATM C C2C A CLA HY 33 . ? 9.571 18.201 -4.845 0.40 49.29 ? 404 CLA a C2C 1 ? ? +59121 HETATM C C2C B CLA HY 33 . ? 9.594 18.203 -4.867 0.60 48.48 ? 404 CLA a C2C 1 ? ? +59122 HETATM C C3C A CLA HY 33 . ? 8.169 18.426 -5.100 0.40 49.27 ? 404 CLA a C3C 1 ? ? +59123 HETATM C C3C B CLA HY 33 . ? 8.203 18.397 -5.151 0.60 48.44 ? 404 CLA a C3C 1 ? ? +59124 HETATM C C4C A CLA HY 33 . ? 7.571 17.973 -3.826 0.40 49.39 ? 404 CLA a C4C 1 ? ? +59125 HETATM C C4C B CLA HY 33 . ? 7.582 17.890 -3.903 0.60 48.55 ? 404 CLA a C4C 1 ? ? +59126 HETATM C CMC A CLA HY 33 . ? 10.728 18.512 -5.756 0.40 49.31 ? 404 CLA a CMC 1 ? ? +59127 HETATM C CMC B CLA HY 33 . ? 10.754 18.566 -5.747 0.60 48.53 ? 404 CLA a CMC 1 ? ? +59128 HETATM C CAC A CLA HY 33 . ? 7.453 19.039 -6.284 0.40 49.24 ? 404 CLA a CAC 1 ? ? +59129 HETATM C CAC B CLA HY 33 . ? 7.579 19.052 -6.362 0.60 48.39 ? 404 CLA a CAC 1 ? ? +59130 HETATM C CBC A CLA HY 33 . ? 7.746 18.415 -7.620 0.40 48.86 ? 404 CLA a CBC 1 ? ? +59131 HETATM C CBC B CLA HY 33 . ? 7.553 18.241 -7.620 0.60 47.96 ? 404 CLA a CBC 1 ? ? +59132 HETATM N ND A CLA HY 33 . ? 6.237 16.238 -1.978 0.40 49.38 ? 404 CLA a ND 1 ? ? +59133 HETATM N ND B CLA HY 33 . ? 6.235 16.156 -2.006 0.60 48.61 ? 404 CLA a ND 1 ? ? +59134 HETATM C C1D A CLA HY 33 . ? 5.456 17.136 -2.859 0.40 49.38 ? 404 CLA a C1D 1 ? ? +59135 HETATM C C1D B CLA HY 33 . ? 5.463 17.056 -2.886 0.60 48.60 ? 404 CLA a C1D 1 ? ? +59136 HETATM C C2D A CLA HY 33 . ? 3.984 16.897 -2.825 0.40 49.42 ? 404 CLA a C2D 1 ? ? +59137 HETATM C C2D B CLA HY 33 . ? 3.993 16.839 -2.809 0.60 48.68 ? 404 CLA a C2D 1 ? ? +59138 HETATM C C3D A CLA HY 33 . ? 3.912 15.935 -1.730 0.40 49.45 ? 404 CLA a C3D 1 ? ? +59139 HETATM C C3D B CLA HY 33 . ? 3.922 15.915 -1.686 0.60 48.76 ? 404 CLA a C3D 1 ? ? +59140 HETATM C C4D A CLA HY 33 . ? 5.157 15.746 -1.260 0.40 49.45 ? 404 CLA a C4D 1 ? ? +59141 HETATM C C4D B CLA HY 33 . ? 5.170 15.711 -1.237 0.60 48.74 ? 404 CLA a C4D 1 ? ? +59142 HETATM C CMD A CLA HY 33 . ? 2.773 17.405 -3.549 0.40 49.51 ? 404 CLA a CMD 1 ? ? +59143 HETATM C CMD B CLA HY 33 . ? 2.776 17.352 -3.506 0.60 48.76 ? 404 CLA a CMD 1 ? ? +59144 HETATM C CAD A CLA HY 33 . ? 2.940 15.166 -0.913 0.40 49.54 ? 404 CLA a CAD 1 ? ? +59145 HETATM C CAD B CLA HY 33 . ? 2.952 15.180 -0.836 0.60 48.93 ? 404 CLA a CAD 1 ? ? +59146 HETATM O OBD A CLA HY 33 . ? 1.662 15.142 -1.053 0.40 49.63 ? 404 CLA a OBD 1 ? ? +59147 HETATM O OBD B CLA HY 33 . ? 1.670 15.175 -0.939 0.60 49.02 ? 404 CLA a OBD 1 ? ? +59148 HETATM C CBD A CLA HY 33 . ? 3.712 14.355 0.087 0.40 49.55 ? 404 CLA a CBD 1 ? ? +59149 HETATM C CBD B CLA HY 33 . ? 3.728 14.392 0.177 0.60 48.95 ? 404 CLA a CBD 1 ? ? +59150 HETATM C CGD A CLA HY 33 . ? 3.214 14.596 1.481 0.40 49.97 ? 404 CLA a CGD 1 ? ? +59151 HETATM C CGD B CLA HY 33 . ? 3.184 14.743 1.521 0.60 49.36 ? 404 CLA a CGD 1 ? ? +59152 HETATM O O1D A CLA HY 33 . ? 3.752 15.364 2.254 0.40 50.35 ? 404 CLA a O1D 1 ? ? +59153 HETATM O O1D B CLA HY 33 . ? 3.493 15.747 2.139 0.60 49.78 ? 404 CLA a O1D 1 ? ? +59154 HETATM O O2D A CLA HY 33 . ? 2.036 13.888 1.931 0.40 49.98 ? 404 CLA a O2D 1 ? ? +59155 HETATM O O2D B CLA HY 33 . ? 2.198 13.843 2.065 0.60 49.34 ? 404 CLA a O2D 1 ? ? +59156 HETATM C CED A CLA HY 33 . ? 1.542 14.133 3.245 0.40 50.43 ? 404 CLA a CED 1 ? ? +59157 HETATM C CED B CLA HY 33 . ? 1.647 14.116 3.342 0.60 49.77 ? 404 CLA a CED 1 ? ? +59158 HETATM C C1 A CLA HY 33 . ? 3.308 9.671 4.105 0.40 50.65 ? 404 CLA a C1 1 ? ? +59159 HETATM C C1 B CLA HY 33 . ? 3.368 9.544 4.163 0.60 49.88 ? 404 CLA a C1 1 ? ? +59160 HETATM C C2 A CLA HY 33 . ? 3.006 8.196 3.959 0.40 50.50 ? 404 CLA a C2 1 ? ? +59161 HETATM C C2 B CLA HY 33 . ? 2.999 8.095 3.973 0.60 49.70 ? 404 CLA a C2 1 ? ? +59162 HETATM C C3 A CLA HY 33 . ? 2.144 7.780 3.015 0.40 50.44 ? 404 CLA a C3 1 ? ? +59163 HETATM C C3 B CLA HY 33 . ? 2.150 7.711 3.004 0.60 49.66 ? 404 CLA a C3 1 ? ? +59164 HETATM C C4 A CLA HY 33 . ? 1.505 8.782 2.093 0.40 50.44 ? 404 CLA a C4 1 ? ? +59165 HETATM C C4 B CLA HY 33 . ? 1.509 8.690 2.054 0.60 49.63 ? 404 CLA a C4 1 ? ? +59166 HETATM C C5 A CLA HY 33 . ? 1.828 6.308 2.875 0.40 50.34 ? 404 CLA a C5 1 ? ? +59167 HETATM C C5 B CLA HY 33 . ? 1.816 6.250 2.875 0.60 49.58 ? 404 CLA a C5 1 ? ? +59168 HETATM C C6 A CLA HY 33 . ? 0.392 5.938 3.294 0.40 50.64 ? 404 CLA a C6 1 ? ? +59169 HETATM C C6 B CLA HY 33 . ? 0.372 5.931 3.311 0.60 49.93 ? 404 CLA a C6 1 ? ? +59170 HETATM C C7 A CLA HY 33 . ? 0.354 4.409 3.271 0.40 50.55 ? 404 CLA a C7 1 ? ? +59171 HETATM C C7 B CLA HY 33 . ? 0.309 4.407 3.293 0.60 49.91 ? 404 CLA a C7 1 ? ? +59172 HETATM C C8 A CLA HY 33 . ? -0.908 3.711 3.773 0.40 50.84 ? 404 CLA a C8 1 ? ? +59173 HETATM C C8 B CLA HY 33 . ? -0.963 3.714 3.778 0.60 50.25 ? 404 CLA a C8 1 ? ? +59174 HETATM C C9 A CLA HY 33 . ? -1.982 4.476 4.533 0.40 51.28 ? 404 CLA a C9 1 ? ? +59175 HETATM C C9 B CLA HY 33 . ? -1.990 4.456 4.618 0.60 50.69 ? 404 CLA a C9 1 ? ? +59176 HETATM C C10 A CLA HY 33 . ? -1.190 2.298 3.323 0.40 50.75 ? 404 CLA a C10 1 ? ? +59177 HETATM C C10 B CLA HY 33 . ? -1.286 2.331 3.272 0.60 50.25 ? 404 CLA a C10 1 ? ? +59178 HETATM C C11 A CLA HY 33 . ? -0.915 1.945 1.870 0.40 50.49 ? 404 CLA a C11 1 ? ? +59179 HETATM C C11 B CLA HY 33 . ? -0.847 1.965 1.865 0.60 50.11 ? 404 CLA a C11 1 ? ? +59180 HETATM C C12 A CLA HY 33 . ? -0.817 0.423 1.778 0.40 50.58 ? 404 CLA a C12 1 ? ? +59181 HETATM C C12 B CLA HY 33 . ? -0.895 0.454 1.717 0.60 50.37 ? 404 CLA a C12 1 ? ? +59182 HETATM C C13 A CLA HY 33 . ? -0.435 -0.066 0.387 0.40 50.50 ? 404 CLA a C13 1 ? ? +59183 HETATM C C13 B CLA HY 33 . ? -0.520 0.000 0.312 0.60 50.47 ? 404 CLA a C13 1 ? ? +59184 HETATM C C14 A CLA HY 33 . ? -1.442 0.399 -0.655 0.40 50.51 ? 404 CLA a C14 1 ? ? +59185 HETATM C C14 B CLA HY 33 . ? -1.585 0.389 -0.707 0.60 50.53 ? 404 CLA a C14 1 ? ? +59186 HETATM C C15 A CLA HY 33 . ? -0.396 -1.588 0.334 0.40 50.76 ? 404 CLA a C15 1 ? ? +59187 HETATM C C15 B CLA HY 33 . ? -0.419 -1.514 0.252 0.60 50.91 ? 404 CLA a C15 1 ? ? +59188 HETATM C C16 A CLA HY 33 . ? 0.740 -2.224 1.113 0.40 51.09 ? 404 CLA a C16 1 ? ? +59189 HETATM C C16 B CLA HY 33 . ? 0.722 -2.102 1.053 0.60 51.44 ? 404 CLA a C16 1 ? ? +59190 HETATM C C17 A CLA HY 33 . ? 0.420 -3.700 1.327 0.40 51.44 ? 404 CLA a C17 1 ? ? +59191 HETATM C C17 B CLA HY 33 . ? 0.456 -3.590 1.277 0.60 52.03 ? 404 CLA a C17 1 ? ? +59192 HETATM C C18 A CLA HY 33 . ? 1.686 -4.492 1.068 0.40 51.57 ? 404 CLA a C18 1 ? ? +59193 HETATM C C18 B CLA HY 33 . ? 1.712 -4.416 1.079 0.60 52.44 ? 404 CLA a C18 1 ? ? +59194 HETATM C C19 A CLA HY 33 . ? 1.692 -6.002 1.264 0.40 51.79 ? 404 CLA a C19 1 ? ? +59195 HETATM C C19 B CLA HY 33 . ? 1.565 -5.926 1.106 0.60 52.76 ? 404 CLA a C19 1 ? ? +59196 HETATM C C20 A CLA HY 33 . ? 2.840 -3.760 0.381 0.40 51.50 ? 404 CLA a C20 1 ? ? +59197 HETATM C C20 B CLA HY 33 . ? 3.038 -3.773 0.653 0.60 52.54 ? 404 CLA a C20 1 ? ? +59198 HETATM MG MG . CLA HZ 33 . ? 41.312 -12.373 -5.332 1.00 51.38 ? 612 CLA b MG 1 ? ? +59199 HETATM C CHA . CLA HZ 33 . ? 42.899 -9.429 -6.361 1.00 52.26 ? 612 CLA b CHA 1 ? ? +59200 HETATM C CHB . CLA HZ 33 . ? 39.700 -12.593 -8.151 1.00 49.95 ? 612 CLA b CHB 1 ? ? +59201 HETATM C CHC . CLA HZ 33 . ? 38.972 -14.481 -3.708 1.00 50.63 ? 612 CLA b CHC 1 ? ? +59202 HETATM C CHD . CLA HZ 33 . ? 42.581 -11.696 -1.973 1.00 52.88 ? 612 CLA b CHD 1 ? ? +59203 HETATM N NA . CLA HZ 33 . ? 41.205 -11.153 -6.924 1.00 51.05 ? 612 CLA b NA 1 ? ? +59204 HETATM C C1A . CLA HZ 33 . ? 41.975 -10.148 -7.246 1.00 51.42 ? 612 CLA b C1A 1 ? ? +59205 HETATM C C2A . CLA HZ 33 . ? 41.940 -9.770 -8.693 1.00 51.07 ? 612 CLA b C2A 1 ? ? +59206 HETATM C C3A . CLA HZ 33 . ? 40.753 -10.556 -9.157 1.00 50.31 ? 612 CLA b C3A 1 ? ? +59207 HETATM C C4A . CLA HZ 33 . ? 40.495 -11.501 -8.014 1.00 50.40 ? 612 CLA b C4A 1 ? ? +59208 HETATM C CMA . CLA HZ 33 . ? 39.637 -9.563 -9.402 1.00 49.90 ? 612 CLA b CMA 1 ? ? +59209 HETATM C CAA . CLA HZ 33 . ? 43.215 -10.139 -9.453 1.00 51.53 ? 612 CLA b CAA 1 ? ? +59210 HETATM C CBA . CLA HZ 33 . ? 43.554 -11.615 -9.356 1.00 51.69 ? 612 CLA b CBA 1 ? ? +59211 HETATM C CGA . CLA HZ 33 . ? 44.878 -11.915 -10.013 1.00 52.35 ? 612 CLA b CGA 1 ? ? +59212 HETATM O O1A . CLA HZ 33 . ? 45.915 -12.047 -9.382 1.00 52.99 ? 612 CLA b O1A 1 ? ? +59213 HETATM O O2A . CLA HZ 33 . ? 44.938 -12.100 -11.431 1.00 52.39 ? 612 CLA b O2A 1 ? ? +59214 HETATM N NB . CLA HZ 33 . ? 39.567 -13.314 -5.795 1.00 50.37 ? 612 CLA b NB 1 ? ? +59215 HETATM C C1B . CLA HZ 33 . ? 39.141 -13.422 -7.058 1.00 49.88 ? 612 CLA b C1B 1 ? ? +59216 HETATM C C2B . CLA HZ 33 . ? 37.954 -14.290 -7.247 1.00 49.36 ? 612 CLA b C2B 1 ? ? +59217 HETATM C C3B . CLA HZ 33 . ? 37.751 -14.828 -5.897 1.00 49.64 ? 612 CLA b C3B 1 ? ? +59218 HETATM C C4B . CLA HZ 33 . ? 38.835 -14.218 -5.128 1.00 50.19 ? 612 CLA b C4B 1 ? ? +59219 HETATM C CMB . CLA HZ 33 . ? 37.227 -14.540 -8.518 1.00 48.83 ? 612 CLA b CMB 1 ? ? +59220 HETATM C CAB . CLA HZ 33 . ? 36.797 -15.828 -5.332 1.00 49.53 ? 612 CLA b CAB 1 ? ? +59221 HETATM C CBB . CLA HZ 33 . ? 36.132 -16.689 -6.086 1.00 49.12 ? 612 CLA b CBB 1 ? ? +59222 HETATM N NC . CLA HZ 33 . ? 40.836 -12.877 -3.341 1.00 51.64 ? 612 CLA b NC 1 ? ? +59223 HETATM C C1C . CLA HZ 33 . ? 39.943 -13.804 -2.869 1.00 51.34 ? 612 CLA b C1C 1 ? ? +59224 HETATM C C2C . CLA HZ 33 . ? 39.897 -14.068 -1.410 1.00 51.75 ? 612 CLA b C2C 1 ? ? +59225 HETATM C C3C . CLA HZ 33 . ? 40.956 -13.228 -0.910 1.00 52.44 ? 612 CLA b C3C 1 ? ? +59226 HETATM C C4C . CLA HZ 33 . ? 41.487 -12.633 -2.156 1.00 52.30 ? 612 CLA b C4C 1 ? ? +59227 HETATM C CMC . CLA HZ 33 . ? 39.010 -14.951 -0.587 1.00 51.65 ? 612 CLA b CMC 1 ? ? +59228 HETATM C CAC . CLA HZ 33 . ? 41.460 -13.099 0.519 1.00 53.21 ? 612 CLA b CAC 1 ? ? +59229 HETATM C CBC . CLA HZ 33 . ? 40.845 -11.953 1.282 1.00 53.22 ? 612 CLA b CBC 1 ? ? +59230 HETATM N ND . CLA HZ 33 . ? 42.500 -10.982 -4.373 1.00 52.22 ? 612 CLA b ND 1 ? ? +59231 HETATM C C1D . CLA HZ 33 . ? 42.902 -10.775 -3.008 1.00 52.79 ? 612 CLA b C1D 1 ? ? +59232 HETATM C C2D . CLA HZ 33 . ? 43.933 -9.688 -2.928 1.00 53.46 ? 612 CLA b C2D 1 ? ? +59233 HETATM C C3D . CLA HZ 33 . ? 43.889 -9.175 -4.311 1.00 53.22 ? 612 CLA b C3D 1 ? ? +59234 HETATM C C4D . CLA HZ 33 . ? 42.927 -9.841 -4.989 1.00 52.48 ? 612 CLA b C4D 1 ? ? +59235 HETATM C CMD . CLA HZ 33 . ? 44.824 -9.144 -1.856 1.00 54.22 ? 612 CLA b CMD 1 ? ? +59236 HETATM C CAD . CLA HZ 33 . ? 44.434 -8.123 -5.187 1.00 53.50 ? 612 CLA b CAD 1 ? ? +59237 HETATM O OBD . CLA HZ 33 . ? 45.294 -7.256 -4.852 1.00 54.16 ? 612 CLA b OBD 1 ? ? +59238 HETATM C CBD . CLA HZ 33 . ? 43.851 -8.269 -6.561 1.00 53.07 ? 612 CLA b CBD 1 ? ? +59239 HETATM C CGD . CLA HZ 33 . ? 43.284 -6.963 -7.044 1.00 53.20 ? 612 CLA b CGD 1 ? ? +59240 HETATM O O1D . CLA HZ 33 . ? 43.638 -6.320 -8.045 1.00 53.50 ? 612 CLA b O1D 1 ? ? +59241 HETATM O O2D . CLA HZ 33 . ? 42.285 -6.388 -6.233 1.00 53.37 ? 612 CLA b O2D 1 ? ? +59242 HETATM C CED . CLA HZ 33 . ? 41.790 -5.123 -6.654 1.00 53.45 ? 612 CLA b CED 1 ? ? +59243 HETATM C C1 . CLA HZ 33 . ? 46.149 -11.878 -12.126 1.00 53.12 ? 612 CLA b C1 1 ? ? +59244 HETATM C C2 . CLA HZ 33 . ? 46.404 -10.396 -12.193 1.00 53.55 ? 612 CLA b C2 1 ? ? +59245 HETATM C C3 . CLA HZ 33 . ? 46.383 -9.760 -13.354 1.00 53.84 ? 612 CLA b C3 1 ? ? +59246 HETATM C C4 . CLA HZ 33 . ? 46.062 -10.525 -14.608 1.00 53.46 ? 612 CLA b C4 1 ? ? +59247 HETATM C C5 . CLA HZ 33 . ? 46.626 -8.269 -13.405 1.00 54.53 ? 612 CLA b C5 1 ? ? +59248 HETATM C C6 . CLA HZ 33 . ? 45.333 -7.557 -13.844 1.00 54.41 ? 612 CLA b C6 1 ? ? +59249 HETATM C C7 . CLA HZ 33 . ? 44.200 -7.779 -12.832 1.00 54.34 ? 612 CLA b C7 1 ? ? +59250 HETATM C C8 . CLA HZ 33 . ? 42.796 -7.580 -13.305 1.00 53.94 ? 612 CLA b C8 1 ? ? +59251 HETATM C C9 . CLA HZ 33 . ? 41.780 -7.266 -12.237 1.00 54.02 ? 612 CLA b C9 1 ? ? +59252 HETATM C C10 . CLA HZ 33 . ? 42.417 -7.796 -14.756 1.00 53.87 ? 612 CLA b C10 1 ? ? +59253 HETATM C C11 . CLA HZ 33 . ? 41.320 -6.902 -15.336 1.00 53.56 ? 612 CLA b C11 1 ? ? +59254 HETATM C C12 . CLA HZ 33 . ? 41.964 -5.777 -16.134 1.00 54.16 ? 612 CLA b C12 1 ? ? +59255 HETATM C C13 . CLA HZ 33 . ? 41.118 -4.511 -16.100 1.00 54.33 ? 612 CLA b C13 1 ? ? +59256 HETATM C C14 . CLA HZ 33 . ? 39.836 -4.721 -16.925 1.00 53.93 ? 612 CLA b C14 1 ? ? +59257 HETATM C C15 . CLA HZ 33 . ? 41.919 -3.304 -16.572 1.00 54.92 ? 612 CLA b C15 1 ? ? +59258 HETATM C C16 . CLA HZ 33 . ? 43.116 -2.967 -15.664 1.00 56.06 ? 612 CLA b C16 1 ? ? +59259 HETATM C C17 . CLA HZ 33 . ? 42.644 -2.468 -14.311 1.00 56.39 ? 612 CLA b C17 1 ? ? +59260 HETATM C C18 . CLA HZ 33 . ? 43.715 -2.300 -13.265 1.00 57.55 ? 612 CLA b C18 1 ? ? +59261 HETATM C C19 . CLA HZ 33 . ? 45.044 -3.008 -13.269 1.00 58.23 ? 612 CLA b C19 1 ? ? +59262 HETATM C C20 . CLA HZ 33 . ? 43.468 -1.553 -12.015 1.00 58.08 ? 612 CLA b C20 1 ? ? +59263 HETATM MG MG . CLA IA 33 . ? -3.851 14.909 26.445 1.00 62.42 ? 509 CLA c MG 1 ? ? +59264 HETATM C CHA . CLA IA 33 . ? -1.181 13.915 28.348 1.00 62.54 ? 509 CLA c CHA 1 ? ? +59265 HETATM C CHB . CLA IA 33 . ? -5.207 16.459 29.172 1.00 64.40 ? 509 CLA c CHB 1 ? ? +59266 HETATM C CHC . CLA IA 33 . ? -5.739 17.071 24.394 1.00 62.28 ? 509 CLA c CHC 1 ? ? +59267 HETATM C CHD . CLA IA 33 . ? -1.780 14.326 23.474 1.00 60.60 ? 509 CLA c CHD 1 ? ? +59268 HETATM N NA . CLA IA 33 . ? -3.281 15.228 28.359 1.00 63.35 ? 509 CLA c NA 1 ? ? +59269 HETATM C C1A . CLA IA 33 . ? -2.276 14.685 28.978 1.00 63.44 ? 509 CLA c C1A 1 ? ? +59270 HETATM C C2A . CLA IA 33 . ? -2.305 14.806 30.478 1.00 64.43 ? 509 CLA c C2A 1 ? ? +59271 HETATM C C3A . CLA IA 33 . ? -3.619 15.491 30.725 1.00 64.69 ? 509 CLA c C3A 1 ? ? +59272 HETATM C C4A . CLA IA 33 . ? -4.060 15.780 29.320 1.00 64.13 ? 509 CLA c C4A 1 ? ? +59273 HETATM C CMA . CLA IA 33 . ? -4.597 14.593 31.483 1.00 65.11 ? 509 CLA c CMA 1 ? ? +59274 HETATM C CAA . CLA IA 33 . ? -1.142 15.616 31.029 1.00 65.10 ? 509 CLA c CAA 1 ? ? +59275 HETATM C CBA . CLA IA 33 . ? -0.998 16.851 30.154 1.00 65.31 ? 509 CLA c CBA 1 ? ? +59276 HETATM C CGA . CLA IA 33 . ? 0.120 17.742 30.548 1.00 66.01 ? 509 CLA c CGA 1 ? ? +59277 HETATM O O1A . CLA IA 33 . ? 0.421 17.893 31.703 1.00 66.48 ? 509 CLA c O1A 1 ? ? +59278 HETATM O O2A . CLA IA 33 . ? 0.786 18.438 29.487 1.00 66.97 ? 509 CLA c O2A 1 ? ? +59279 HETATM N NB . CLA IA 33 . ? -5.176 16.492 26.718 1.00 63.14 ? 509 CLA c NB 1 ? ? +59280 HETATM C C1B . CLA IA 33 . ? -5.726 16.914 27.888 1.00 63.81 ? 509 CLA c C1B 1 ? ? +59281 HETATM C C2B . CLA IA 33 . ? -6.730 17.996 27.851 1.00 64.26 ? 509 CLA c C2B 1 ? ? +59282 HETATM C C3B . CLA IA 33 . ? -6.843 18.182 26.403 1.00 63.67 ? 509 CLA c C3B 1 ? ? +59283 HETATM C C4B . CLA IA 33 . ? -5.923 17.176 25.830 1.00 62.92 ? 509 CLA c C4B 1 ? ? +59284 HETATM C CMB . CLA IA 33 . ? -7.451 18.665 29.001 1.00 65.28 ? 509 CLA c CMB 1 ? ? +59285 HETATM C CAB . CLA IA 33 . ? -7.797 19.034 25.623 1.00 63.62 ? 509 CLA c CAB 1 ? ? +59286 HETATM C CBB . CLA IA 33 . ? -8.918 19.500 26.154 1.00 64.07 ? 509 CLA c CBB 1 ? ? +59287 HETATM N NC . CLA IA 33 . ? -3.755 15.576 24.455 1.00 61.69 ? 509 CLA c NC 1 ? ? +59288 HETATM C C1C . CLA IA 33 . ? -4.634 16.351 23.766 1.00 61.70 ? 509 CLA c C1C 1 ? ? +59289 HETATM C C2C . CLA IA 33 . ? -4.383 16.584 22.323 1.00 61.06 ? 509 CLA c C2C 1 ? ? +59290 HETATM C C3C . CLA IA 33 . ? -3.229 15.769 22.054 1.00 60.87 ? 509 CLA c C3C 1 ? ? +59291 HETATM C C4C . CLA IA 33 . ? -2.976 15.168 23.384 1.00 61.10 ? 509 CLA c C4C 1 ? ? +59292 HETATM C CMC . CLA IA 33 . ? -5.137 17.434 21.352 1.00 61.00 ? 509 CLA c CMC 1 ? ? +59293 HETATM C CAC . CLA IA 33 . ? -2.537 15.506 20.737 1.00 60.61 ? 509 CLA c CAC 1 ? ? +59294 HETATM C CBC . CLA IA 33 . ? -1.309 16.298 20.432 1.00 60.90 ? 509 CLA c CBC 1 ? ? +59295 HETATM N ND . CLA IA 33 . ? -1.867 14.574 25.995 1.00 61.74 ? 509 CLA c ND 1 ? ? +59296 HETATM C C1D . CLA IA 33 . ? -1.299 13.960 24.777 1.00 60.88 ? 509 CLA c C1D 1 ? ? +59297 HETATM C C2D . CLA IA 33 . ? -0.100 13.125 25.035 1.00 60.67 ? 509 CLA c C2D 1 ? ? +59298 HETATM C C3D . CLA IA 33 . ? -0.112 13.120 26.499 1.00 61.33 ? 509 CLA c C3D 1 ? ? +59299 HETATM C C4D . CLA IA 33 . ? -1.166 13.826 26.922 1.00 61.78 ? 509 CLA c C4D 1 ? ? +59300 HETATM C CMD . CLA IA 33 . ? 0.923 12.412 24.194 1.00 60.05 ? 509 CLA c CMD 1 ? ? +59301 HETATM C CAD . CLA IA 33 . ? 0.617 12.579 27.671 1.00 61.80 ? 509 CLA c CAD 1 ? ? +59302 HETATM O OBD . CLA IA 33 . ? 1.649 11.797 27.631 1.00 61.63 ? 509 CLA c OBD 1 ? ? +59303 HETATM C CBD . CLA IA 33 . ? -0.125 13.027 28.903 1.00 62.48 ? 509 CLA c CBD 1 ? ? +59304 HETATM C CGD . CLA IA 33 . ? -0.801 11.809 29.505 1.00 62.45 ? 509 CLA c CGD 1 ? ? +59305 HETATM O O1D . CLA IA 33 . ? -1.098 10.831 28.848 1.00 61.89 ? 509 CLA c O1D 1 ? ? +59306 HETATM O O2D . CLA IA 33 . ? -1.146 11.701 30.899 1.00 63.08 ? 509 CLA c O2D 1 ? ? +59307 HETATM C CED . CLA IA 33 . ? -2.022 10.668 31.338 1.00 63.24 ? 509 CLA c CED 1 ? ? +59308 HETATM C C1 . CLA IA 33 . ? 1.761 19.408 29.792 1.00 68.95 ? 509 CLA c C1 1 ? ? +59309 HETATM C C2 . CLA IA 33 . ? 1.862 20.457 28.713 1.00 70.19 ? 509 CLA c C2 1 ? ? +59310 HETATM C C3 . CLA IA 33 . ? 2.997 20.662 28.025 1.00 72.32 ? 509 CLA c C3 1 ? ? +59311 HETATM C C4 . CLA IA 33 . ? 4.227 19.844 28.274 1.00 72.12 ? 509 CLA c C4 1 ? ? +59312 HETATM C C5 . CLA IA 33 . ? 3.043 21.744 26.979 1.00 74.61 ? 509 CLA c C5 1 ? ? +59313 HETATM C C6 . CLA IA 33 . ? 3.337 21.133 25.624 1.00 76.26 ? 509 CLA c C6 1 ? ? +59314 HETATM C C7 . CLA IA 33 . ? 3.370 22.247 24.595 1.00 79.26 ? 509 CLA c C7 1 ? ? +59315 HETATM C C8 . CLA IA 33 . ? 3.592 21.768 23.166 1.00 82.85 ? 509 CLA c C8 1 ? ? +59316 HETATM C C9 . CLA IA 33 . ? 3.862 20.335 22.771 1.00 83.60 ? 509 CLA c C9 1 ? ? +59317 HETATM C C10 . CLA IA 33 . ? 3.485 22.868 22.091 1.00 86.12 ? 509 CLA c C10 1 ? ? +59318 HETATM C C11 . CLA IA 33 . ? 2.346 23.853 22.128 1.00 90.32 ? 509 CLA c C11 1 ? ? +59319 HETATM C C12 . CLA IA 33 . ? 2.642 24.683 20.891 1.00 93.91 ? 509 CLA c C12 1 ? ? +59320 HETATM C C13 . CLA IA 33 . ? 1.715 25.860 20.668 1.00 98.34 ? 509 CLA c C13 1 ? ? +59321 HETATM C C14 . CLA IA 33 . ? 0.326 25.349 20.305 1.00 98.45 ? 509 CLA c C14 1 ? ? +59322 HETATM C C15 . CLA IA 33 . ? 2.296 26.728 19.547 1.00 104.52 ? 509 CLA c C15 1 ? ? +59323 HETATM C C16 . CLA IA 33 . ? 3.810 27.026 19.659 1.00 109.29 ? 509 CLA c C16 1 ? ? +59324 HETATM C C17 . CLA IA 33 . ? 4.106 27.763 20.985 1.00 112.42 ? 509 CLA c C17 1 ? ? +59325 HETATM C C18 . CLA IA 33 . ? 5.337 28.686 21.096 1.00 114.16 ? 509 CLA c C18 1 ? ? +59326 HETATM C C19 . CLA IA 33 . ? 6.633 28.154 21.719 1.00 114.77 ? 509 CLA c C19 1 ? ? +59327 HETATM C C20 . CLA IA 33 . ? 5.351 30.029 20.371 1.00 114.51 ? 509 CLA c C20 1 ? ? +59328 HETATM O O1 A LHG IB 39 . ? 18.270 -15.280 8.636 0.40 58.53 ? 407 LHG d O1 1 ? ? +59329 HETATM O O1 B LHG IB 39 . ? 18.375 -15.132 8.452 0.60 60.38 ? 407 LHG d O1 1 ? ? +59330 HETATM C C1 A LHG IB 39 . ? 17.644 -14.120 9.176 0.40 58.08 ? 407 LHG d C1 1 ? ? +59331 HETATM C C1 B LHG IB 39 . ? 17.769 -14.060 9.168 0.60 59.45 ? 407 LHG d C1 1 ? ? +59332 HETATM C C2 A LHG IB 39 . ? 16.603 -14.505 10.199 0.40 58.08 ? 407 LHG d C2 1 ? ? +59333 HETATM C C2 B LHG IB 39 . ? 16.671 -14.578 10.061 0.60 59.07 ? 407 LHG d C2 1 ? ? +59334 HETATM O O2 A LHG IB 39 . ? 15.743 -15.493 9.636 0.40 58.24 ? 407 LHG d O2 1 ? ? +59335 HETATM O O2 B LHG IB 39 . ? 15.811 -15.395 9.270 0.60 59.14 ? 407 LHG d O2 1 ? ? +59336 HETATM C C3 A LHG IB 39 . ? 15.782 -13.332 10.681 0.40 57.65 ? 407 LHG d C3 1 ? ? +59337 HETATM C C3 B LHG IB 39 . ? 15.881 -13.478 10.732 0.60 58.41 ? 407 LHG d C3 1 ? ? +59338 HETATM O O3 A LHG IB 39 . ? 14.392 -13.512 10.306 0.40 56.64 ? 407 LHG d O3 1 ? ? +59339 HETATM O O3 B LHG IB 39 . ? 14.562 -13.358 10.138 0.60 57.02 ? 407 LHG d O3 1 ? ? +59340 HETATM P P A LHG IB 39 . ? 13.249 -12.866 11.228 0.40 56.29 ? 407 LHG d P 1 ? ? +59341 HETATM P P B LHG IB 39 . ? 13.344 -12.855 11.053 0.60 56.42 ? 407 LHG d P 1 ? ? +59342 HETATM O O4 A LHG IB 39 . ? 12.377 -13.993 11.702 0.40 56.54 ? 407 LHG d O4 1 ? ? +59343 HETATM O O4 B LHG IB 39 . ? 12.537 -14.069 11.411 0.60 56.81 ? 407 LHG d O4 1 ? ? +59344 HETATM O O5 A LHG IB 39 . ? 13.833 -11.905 12.228 0.40 56.51 ? 407 LHG d O5 1 ? ? +59345 HETATM O O5 B LHG IB 39 . ? 13.796 -11.920 12.141 0.60 56.58 ? 407 LHG d O5 1 ? ? +59346 HETATM O O6 A LHG IB 39 . ? 12.434 -11.989 10.162 0.40 55.57 ? 407 LHG d O6 1 ? ? +59347 HETATM O O6 B LHG IB 39 . ? 12.528 -11.955 10.009 0.60 55.74 ? 407 LHG d O6 1 ? ? +59348 HETATM C C4 A LHG IB 39 . ? 11.347 -12.600 9.428 0.40 55.02 ? 407 LHG d C4 1 ? ? +59349 HETATM C C4 B LHG IB 39 . ? 11.371 -12.508 9.346 0.60 55.20 ? 407 LHG d C4 1 ? ? +59350 HETATM C C5 A LHG IB 39 . ? 11.292 -11.970 8.058 0.40 54.37 ? 407 LHG d C5 1 ? ? +59351 HETATM C C5 B LHG IB 39 . ? 11.299 -11.879 7.979 0.60 54.58 ? 407 LHG d C5 1 ? ? +59352 HETATM C C6 A LHG IB 39 . ? 10.364 -12.684 7.105 0.40 53.90 ? 407 LHG d C6 1 ? ? +59353 HETATM C C6 B LHG IB 39 . ? 10.322 -12.566 7.058 0.60 54.08 ? 407 LHG d C6 1 ? ? +59354 HETATM O O7 A LHG IB 39 . ? 10.844 -10.597 8.201 0.40 54.46 ? 407 LHG d O7 1 ? ? +59355 HETATM O O7 B LHG IB 39 . ? 10.893 -10.492 8.130 0.60 54.79 ? 407 LHG d O7 1 ? ? +59356 HETATM C C7 A LHG IB 39 . ? 11.705 -9.620 7.884 0.40 54.57 ? 407 LHG d C7 1 ? ? +59357 HETATM C C7 B LHG IB 39 . ? 11.768 -9.520 7.830 0.60 55.09 ? 407 LHG d C7 1 ? ? +59358 HETATM O O9 A LHG IB 39 . ? 12.824 -9.846 7.512 0.40 54.31 ? 407 LHG d O9 1 ? ? +59359 HETATM O O9 B LHG IB 39 . ? 12.901 -9.726 7.493 0.60 54.74 ? 407 LHG d O9 1 ? ? +59360 HETATM C C8 A LHG IB 39 . ? 11.112 -8.249 8.023 0.40 54.86 ? 407 LHG d C8 1 ? ? +59361 HETATM C C8 B LHG IB 39 . ? 11.146 -8.156 7.926 0.60 55.60 ? 407 LHG d C8 1 ? ? +59362 HETATM C C9 A LHG IB 39 . ? 11.519 -7.315 6.932 0.40 54.70 ? 407 LHG d C9 1 ? ? +59363 HETATM C C9 B LHG IB 39 . ? 11.618 -7.209 6.872 0.60 55.67 ? 407 LHG d C9 1 ? ? +59364 HETATM C C10 A LHG IB 39 . ? 10.848 -7.639 5.604 0.40 54.44 ? 407 LHG d C10 1 ? ? +59365 HETATM C C10 B LHG IB 39 . ? 11.018 -7.508 5.504 0.60 55.63 ? 407 LHG d C10 1 ? ? +59366 HETATM O O8 A LHG IB 39 . ? 10.375 -11.963 5.857 0.40 53.39 ? 407 LHG d O8 1 ? ? +59367 HETATM O O8 B LHG IB 39 . ? 10.382 -11.892 5.785 0.60 53.57 ? 407 LHG d O8 1 ? ? +59368 HETATM C C23 A LHG IB 39 . ? 9.819 -12.581 4.825 0.40 52.95 ? 407 LHG d C23 1 ? ? +59369 HETATM C C23 B LHG IB 39 . ? 9.834 -12.520 4.755 0.60 53.13 ? 407 LHG d C23 1 ? ? +59370 HETATM O O10 A LHG IB 39 . ? 9.265 -13.642 4.923 0.40 52.97 ? 407 LHG d O10 1 ? ? +59371 HETATM O O10 B LHG IB 39 . ? 9.248 -13.562 4.859 0.60 53.13 ? 407 LHG d O10 1 ? ? +59372 HETATM C C24 A LHG IB 39 . ? 10.012 -11.801 3.560 0.40 52.52 ? 407 LHG d C24 1 ? ? +59373 HETATM C C24 B LHG IB 39 . ? 10.070 -11.766 3.481 0.60 52.74 ? 407 LHG d C24 1 ? ? +59374 HETATM C C11 A LHG IB 39 . ? 9.682 -6.754 5.289 0.40 54.62 ? 407 LHG d C11 1 ? ? +59375 HETATM C C11 B LHG IB 39 . ? 9.705 -6.844 5.260 0.60 56.05 ? 407 LHG d C11 1 ? ? +59376 HETATM C C12 A LHG IB 39 . ? 9.342 -6.661 3.828 0.40 54.43 ? 407 LHG d C12 1 ? ? +59377 HETATM C C12 B LHG IB 39 . ? 9.336 -6.731 3.812 0.60 56.15 ? 407 LHG d C12 1 ? ? +59378 HETATM C C13 A LHG IB 39 . ? 7.967 -6.104 3.568 0.40 54.69 ? 407 LHG d C13 1 ? ? +59379 HETATM C C13 B LHG IB 39 . ? 7.977 -6.131 3.581 0.60 56.69 ? 407 LHG d C13 1 ? ? +59380 HETATM C C14 A LHG IB 39 . ? 7.765 -5.564 2.178 0.40 54.64 ? 407 LHG d C14 1 ? ? +59381 HETATM C C14 B LHG IB 39 . ? 7.786 -5.579 2.196 0.60 56.95 ? 407 LHG d C14 1 ? ? +59382 HETATM C C15 A LHG IB 39 . ? 6.320 -5.289 1.839 0.40 55.01 ? 407 LHG d C15 1 ? ? +59383 HETATM C C15 B LHG IB 39 . ? 6.339 -5.395 1.798 0.60 57.70 ? 407 LHG d C15 1 ? ? +59384 HETATM C C16 A LHG IB 39 . ? 5.914 -5.744 0.462 0.40 54.81 ? 407 LHG d C16 1 ? ? +59385 HETATM C C16 B LHG IB 39 . ? 6.032 -5.857 0.398 0.60 57.63 ? 407 LHG d C16 1 ? ? +59386 HETATM C C17 A LHG IB 39 . ? 6.626 -5.033 -0.647 0.40 54.71 ? 407 LHG d C17 1 ? ? +59387 HETATM C C17 B LHG IB 39 . ? 6.676 -5.024 -0.665 0.60 57.84 ? 407 LHG d C17 1 ? ? +59388 HETATM C C18 A LHG IB 39 . ? 6.356 -5.604 -2.009 0.40 54.65 ? 407 LHG d C18 1 ? ? +59389 HETATM C C18 B LHG IB 39 . ? 6.471 -5.550 -2.055 0.60 58.14 ? 407 LHG d C18 1 ? ? +59390 HETATM C C19 A LHG IB 39 . ? 5.170 -4.995 -2.689 0.40 54.96 ? 407 LHG d C19 1 ? ? +59391 HETATM C C19 B LHG IB 39 . ? 5.243 -5.024 -2.720 0.60 58.72 ? 407 LHG d C19 1 ? ? +59392 HETATM C C20 A LHG IB 39 . ? 5.120 -5.190 -4.182 0.40 55.03 ? 407 LHG d C20 1 ? ? +59393 HETATM C C20 B LHG IB 39 . ? 5.160 -5.271 -4.203 0.60 59.20 ? 407 LHG d C20 1 ? ? +59394 HETATM C C21 A LHG IB 39 . ? 3.705 -5.039 -4.702 0.40 55.76 ? 407 LHG d C21 1 ? ? +59395 HETATM C C21 B LHG IB 39 . ? 3.786 -4.880 -4.714 0.60 60.90 ? 407 LHG d C21 1 ? ? +59396 HETATM C C22 A LHG IB 39 . ? 3.544 -5.318 -6.177 0.40 55.79 ? 407 LHG d C22 1 ? ? +59397 HETATM C C22 B LHG IB 39 . ? 3.494 -5.249 -6.148 0.60 61.36 ? 407 LHG d C22 1 ? ? +59398 HETATM C C25 A LHG IB 39 . ? 8.867 -11.930 2.611 0.40 52.28 ? 407 LHG d C25 1 ? ? +59399 HETATM C C25 B LHG IB 39 . ? 8.919 -11.844 2.533 0.60 52.59 ? 407 LHG d C25 1 ? ? +59400 HETATM C C26 A LHG IB 39 . ? 7.677 -11.076 3.004 0.40 52.34 ? 407 LHG d C26 1 ? ? +59401 HETATM C C26 B LHG IB 39 . ? 7.693 -11.101 3.024 0.60 52.70 ? 407 LHG d C26 1 ? ? +59402 HETATM C C27 A LHG IB 39 . ? 6.481 -11.270 2.113 0.40 52.27 ? 407 LHG d C27 1 ? ? +59403 HETATM C C27 B LHG IB 39 . ? 6.496 -11.278 2.132 0.60 52.76 ? 407 LHG d C27 1 ? ? +59404 HETATM C C28 A LHG IB 39 . ? 5.184 -10.803 2.716 0.40 52.56 ? 407 LHG d C28 1 ? ? +59405 HETATM C C28 B LHG IB 39 . ? 5.191 -10.865 2.758 0.60 53.14 ? 407 LHG d C28 1 ? ? +59406 HETATM C C29 A LHG IB 39 . ? 5.143 -9.324 2.979 0.40 52.77 ? 407 LHG d C29 1 ? ? +59407 HETATM C C29 B LHG IB 39 . ? 5.079 -9.383 2.975 0.60 53.44 ? 407 LHG d C29 1 ? ? +59408 HETATM C C30 A LHG IB 39 . ? 3.916 -8.869 3.714 0.40 53.20 ? 407 LHG d C30 1 ? ? +59409 HETATM C C30 B LHG IB 39 . ? 3.854 -8.972 3.732 0.60 53.97 ? 407 LHG d C30 1 ? ? +59410 HETATM C C31 A LHG IB 39 . ? 2.641 -9.065 2.942 0.40 53.21 ? 407 LHG d C31 1 ? ? +59411 HETATM C C31 B LHG IB 39 . ? 2.580 -9.122 2.952 0.60 54.07 ? 407 LHG d C31 1 ? ? +59412 HETATM C C32 A LHG IB 39 . ? 1.436 -8.497 3.621 0.40 53.73 ? 407 LHG d C32 1 ? ? +59413 HETATM C C32 B LHG IB 39 . ? 1.393 -8.575 3.668 0.60 54.75 ? 407 LHG d C32 1 ? ? +59414 HETATM C C33 A LHG IB 39 . ? 0.145 -9.034 3.098 0.40 53.97 ? 407 LHG d C33 1 ? ? +59415 HETATM C C33 B LHG IB 39 . ? 0.093 -9.000 3.083 0.60 55.18 ? 407 LHG d C33 1 ? ? +59416 HETATM C C34 A LHG IB 39 . ? -1.062 -8.330 3.638 0.40 54.50 ? 407 LHG d C34 1 ? ? +59417 HETATM C C34 B LHG IB 39 . ? -1.078 -8.221 3.596 0.60 55.86 ? 407 LHG d C34 1 ? ? +59418 HETATM C C35 A LHG IB 39 . ? -1.259 -8.496 5.121 0.40 55.10 ? 407 LHG d C35 1 ? ? +59419 HETATM C C35 B LHG IB 39 . ? -1.240 -8.258 5.094 0.60 56.56 ? 407 LHG d C35 1 ? ? +59420 HETATM C C36 A LHG IB 39 . ? -2.423 -7.709 5.668 0.40 55.53 ? 407 LHG d C36 1 ? ? +59421 HETATM C C36 B LHG IB 39 . ? -2.517 -7.613 5.581 0.60 57.02 ? 407 LHG d C36 1 ? ? +59422 HETATM C C37 A LHG IB 39 . ? -3.461 -8.538 6.366 0.40 55.90 ? 407 LHG d C37 1 ? ? +59423 HETATM C C37 B LHG IB 39 . ? -3.512 -8.559 6.185 0.60 57.33 ? 407 LHG d C37 1 ? ? +59424 HETATM C C38 A LHG IB 39 . ? -4.662 -7.734 6.795 0.40 56.34 ? 407 LHG d C38 1 ? ? +59425 HETATM C C38 B LHG IB 39 . ? -4.741 -7.852 6.694 0.60 57.87 ? 407 LHG d C38 1 ? ? +59426 HETATM FE FE . HEC IC 46 . ? -8.662 50.237 -13.379 1.00 63.56 ? 201 HEC v FE 1 ? ? +59427 HETATM C CHA . HEC IC 46 . ? -8.993 50.494 -16.770 1.00 63.69 ? 201 HEC v CHA 1 ? ? +59428 HETATM C CHB . HEC IC 46 . ? -6.546 52.998 -13.340 1.00 64.83 ? 201 HEC v CHB 1 ? ? +59429 HETATM C CHC . HEC IC 46 . ? -8.734 50.246 -9.922 1.00 63.75 ? 201 HEC v CHC 1 ? ? +59430 HETATM C CHD . HEC IC 46 . ? -10.399 47.217 -13.391 1.00 62.09 ? 201 HEC v CHD 1 ? ? +59431 HETATM N NA . HEC IC 46 . ? -7.889 51.515 -14.808 1.00 64.05 ? 201 HEC v NA 1 ? ? +59432 HETATM C C1A . HEC IC 46 . ? -8.112 51.477 -16.122 1.00 64.06 ? 201 HEC v C1A 1 ? ? +59433 HETATM C C2A . HEC IC 46 . ? -7.419 52.526 -16.885 1.00 64.58 ? 201 HEC v C2A 1 ? ? +59434 HETATM C C3A . HEC IC 46 . ? -6.673 53.261 -15.870 1.00 64.90 ? 201 HEC v C3A 1 ? ? +59435 HETATM C C4A . HEC IC 46 . ? -7.048 52.545 -14.636 1.00 64.56 ? 201 HEC v C4A 1 ? ? +59436 HETATM C CMA . HEC IC 46 . ? -5.772 54.447 -16.048 1.00 65.50 ? 201 HEC v CMA 1 ? ? +59437 HETATM C CAA . HEC IC 46 . ? -7.403 52.755 -18.356 1.00 64.75 ? 201 HEC v CAA 1 ? ? +59438 HETATM C CBA . HEC IC 46 . ? -6.208 51.921 -18.796 1.00 64.04 ? 201 HEC v CBA 1 ? ? +59439 HETATM C CGA . HEC IC 46 . ? -5.934 52.070 -20.255 1.00 64.16 ? 201 HEC v CGA 1 ? ? +59440 HETATM O O1A . HEC IC 46 . ? -6.498 52.957 -20.886 1.00 64.80 ? 201 HEC v O1A 1 ? ? +59441 HETATM O O2A . HEC IC 46 . ? -5.122 51.296 -20.783 1.00 63.75 ? 201 HEC v O2A 1 ? ? +59442 HETATM N NB . HEC IC 46 . ? -7.803 51.427 -11.901 1.00 64.20 ? 201 HEC v NB 1 ? ? +59443 HETATM C C1B . HEC IC 46 . ? -6.979 52.486 -12.041 1.00 64.71 ? 201 HEC v C1B 1 ? ? +59444 HETATM C C2B . HEC IC 46 . ? -6.532 53.125 -10.776 1.00 65.20 ? 201 HEC v C2B 1 ? ? +59445 HETATM C C3B . HEC IC 46 . ? -7.202 52.301 -9.775 1.00 64.92 ? 201 HEC v C3B 1 ? ? +59446 HETATM C C4B . HEC IC 46 . ? -7.952 51.305 -10.567 1.00 64.27 ? 201 HEC v C4B 1 ? ? +59447 HETATM C CMB . HEC IC 46 . ? -5.637 54.308 -10.585 1.00 65.85 ? 201 HEC v CMB 1 ? ? +59448 HETATM C CAB . HEC IC 46 . ? -7.165 52.442 -8.260 1.00 65.33 ? 201 HEC v CAB 1 ? ? +59449 HETATM C CBB . HEC IC 46 . ? -7.775 53.773 -7.839 1.00 66.25 ? 201 HEC v CBB 1 ? ? +59450 HETATM N NC . HEC IC 46 . ? -9.428 48.958 -11.923 1.00 62.97 ? 201 HEC v NC 1 ? ? +59451 HETATM C C1C . HEC IC 46 . ? -9.372 49.106 -10.580 1.00 63.11 ? 201 HEC v C1C 1 ? ? +59452 HETATM C C2C . HEC IC 46 . ? -9.975 48.027 -9.761 1.00 62.66 ? 201 HEC v C2C 1 ? ? +59453 HETATM C C3C . HEC IC 46 . ? -10.469 47.129 -10.813 1.00 62.19 ? 201 HEC v C3C 1 ? ? +59454 HETATM C C4C . HEC IC 46 . ? -10.055 47.777 -12.086 1.00 62.40 ? 201 HEC v C4C 1 ? ? +59455 HETATM C CMC . HEC IC 46 . ? -10.021 47.909 -8.259 1.00 62.71 ? 201 HEC v CMC 1 ? ? +59456 HETATM C CAC . HEC IC 46 . ? -11.140 45.768 -10.629 1.00 61.59 ? 201 HEC v CAC 1 ? ? +59457 HETATM C CBC . HEC IC 46 . ? -12.342 45.807 -9.704 1.00 61.90 ? 201 HEC v CBC 1 ? ? +59458 HETATM N ND . HEC IC 46 . ? -9.545 49.042 -14.816 1.00 62.98 ? 201 HEC v ND 1 ? ? +59459 HETATM C C1D . HEC IC 46 . ? -10.215 47.886 -14.672 1.00 62.43 ? 201 HEC v C1D 1 ? ? +59460 HETATM C C2D . HEC IC 46 . ? -10.794 47.346 -15.921 1.00 62.29 ? 201 HEC v C2D 1 ? ? +59461 HETATM C C3D . HEC IC 46 . ? -10.352 48.334 -16.922 1.00 62.77 ? 201 HEC v C3D 1 ? ? +59462 HETATM C C4D . HEC IC 46 . ? -9.629 49.331 -16.125 1.00 63.17 ? 201 HEC v C4D 1 ? ? +59463 HETATM C CMD . HEC IC 46 . ? -11.596 46.089 -16.103 1.00 61.80 ? 201 HEC v CMD 1 ? ? +59464 HETATM C CAD . HEC IC 46 . ? -10.628 48.443 -18.386 1.00 62.97 ? 201 HEC v CAD 1 ? ? +59465 HETATM C CBD . HEC IC 46 . ? -11.914 49.290 -18.377 1.00 63.76 ? 201 HEC v CBD 1 ? ? +59466 HETATM C CGD . HEC IC 46 . ? -12.472 49.445 -19.760 1.00 64.07 ? 201 HEC v CGD 1 ? ? +59467 HETATM O O1D . HEC IC 46 . ? -12.154 50.420 -20.468 1.00 64.59 ? 201 HEC v O1D 1 ? ? +59468 HETATM O O2D . HEC IC 46 . ? -13.249 48.554 -20.135 1.00 63.91 ? 201 HEC v O2D 1 ? ? +59469 HETATM O O1 A OEX ID 41 . ? 27.013 -37.029 -61.192 0.40 48.73 ? 413 OEX A O1 1 ? ? +59470 HETATM O O1 B OEX ID 41 . ? 27.063 -37.040 -61.143 0.60 47.90 ? 413 OEX A O1 1 ? ? +59471 HETATM CA CA1 A OEX ID 41 . ? 28.026 -37.832 -59.305 0.40 48.79 ? 413 OEX A CA1 1 ? ? +59472 HETATM CA CA1 B OEX ID 41 . ? 28.208 -37.932 -59.377 0.60 47.85 ? 413 OEX A CA1 1 ? ? +59473 HETATM MN MN1 A OEX ID 41 . ? 25.189 -36.509 -61.309 0.40 47.87 ? 413 OEX A MN1 1 ? ? +59474 HETATM MN MN1 B OEX ID 41 . ? 25.251 -36.445 -61.234 0.60 47.01 ? 413 OEX A MN1 1 ? ? +59475 HETATM O O2 A OEX ID 41 . ? 29.018 -35.268 -61.501 0.40 49.35 ? 413 OEX A O2 1 ? ? +59476 HETATM O O2 B OEX ID 41 . ? 29.067 -35.512 -61.262 0.60 48.54 ? 413 OEX A O2 1 ? ? +59477 HETATM MN MN2 A OEX ID 41 . ? 27.835 -36.281 -62.717 0.40 49.00 ? 413 OEX A MN2 1 ? ? +59478 HETATM MN MN2 B OEX ID 41 . ? 27.858 -36.247 -62.631 0.60 48.15 ? 413 OEX A MN2 1 ? ? +59479 HETATM O O3 A OEX ID 41 . ? 26.689 -35.476 -61.566 0.40 48.76 ? 413 OEX A O3 1 ? ? +59480 HETATM O O3 B OEX ID 41 . ? 26.766 -35.434 -61.454 0.60 47.99 ? 413 OEX A O3 1 ? ? +59481 HETATM MN MN3 A OEX ID 41 . ? 27.619 -34.219 -60.610 0.40 49.05 ? 413 OEX A MN3 1 ? ? +59482 HETATM MN MN3 B OEX ID 41 . ? 27.769 -34.272 -60.459 0.60 48.38 ? 413 OEX A MN3 1 ? ? +59483 HETATM O O4 A OEX ID 41 . ? 28.662 -33.198 -59.310 0.40 49.72 ? 413 OEX A O4 1 ? ? +59484 HETATM O O4 B OEX ID 41 . ? 28.846 -33.375 -59.097 0.60 49.36 ? 413 OEX A O4 1 ? ? +59485 HETATM MN MN4 A OEX ID 41 . ? 28.036 -34.253 -57.769 0.40 50.77 ? 413 OEX A MN4 1 ? ? +59486 HETATM MN MN4 B OEX ID 41 . ? 28.005 -34.353 -57.609 0.60 51.17 ? 413 OEX A MN4 1 ? ? +59487 HETATM O O5 A OEX ID 41 . ? 27.862 -35.465 -59.205 0.40 49.38 ? 413 OEX A O5 1 ? ? +59488 HETATM O O5 B OEX ID 41 . ? 27.945 -35.563 -59.089 0.60 48.94 ? 413 OEX A O5 1 ? ? +59489 HETATM C C1 . BCR IE 30 . ? -22.706 -22.784 -11.088 1.00 64.48 ? 619 BCR B C1 1 ? ? +59490 HETATM C C2 . BCR IE 30 . ? -24.146 -22.384 -11.431 1.00 64.80 ? 619 BCR B C2 1 ? ? +59491 HETATM C C3 . BCR IE 30 . ? -24.964 -22.087 -10.237 1.00 65.28 ? 619 BCR B C3 1 ? ? +59492 HETATM C C4 . BCR IE 30 . ? -25.003 -23.307 -9.324 1.00 65.86 ? 619 BCR B C4 1 ? ? +59493 HETATM C C5 . BCR IE 30 . ? -23.644 -23.875 -9.022 1.00 65.48 ? 619 BCR B C5 1 ? ? +59494 HETATM C C6 . BCR IE 30 . ? -22.591 -23.633 -9.833 1.00 64.35 ? 619 BCR B C6 1 ? ? +59495 HETATM C C7 . BCR IE 30 . ? -21.263 -24.172 -9.608 1.00 63.86 ? 619 BCR B C7 1 ? ? +59496 HETATM C C8 . BCR IE 30 . ? -20.648 -24.419 -8.422 1.00 63.39 ? 619 BCR B C8 1 ? ? +59497 HETATM C C9 . BCR IE 30 . ? -19.331 -24.850 -8.256 1.00 62.49 ? 619 BCR B C9 1 ? ? +59498 HETATM C C10 . BCR IE 30 . ? -18.703 -24.724 -7.003 1.00 61.53 ? 619 BCR B C10 1 ? ? +59499 HETATM C C11 . BCR IE 30 . ? -17.386 -24.934 -6.641 1.00 59.85 ? 619 BCR B C11 1 ? ? +59500 HETATM C C33 . BCR IE 30 . ? -23.615 -24.714 -7.774 1.00 65.85 ? 619 BCR B C33 1 ? ? +59501 HETATM C C31 . BCR IE 30 . ? -21.901 -21.492 -10.867 1.00 64.42 ? 619 BCR B C31 1 ? ? +59502 HETATM C C32 . BCR IE 30 . ? -22.104 -23.510 -12.305 1.00 64.24 ? 619 BCR B C32 1 ? ? +59503 HETATM C C34 . BCR IE 30 . ? -18.560 -25.492 -9.354 1.00 62.58 ? 619 BCR B C34 1 ? ? +59504 HETATM C C12 . BCR IE 30 . ? -16.918 -24.709 -5.370 1.00 59.09 ? 619 BCR B C12 1 ? ? +59505 HETATM C C13 . BCR IE 30 . ? -15.651 -24.908 -4.812 1.00 57.92 ? 619 BCR B C13 1 ? ? +59506 HETATM C C14 . BCR IE 30 . ? -15.438 -24.612 -3.455 1.00 57.77 ? 619 BCR B C14 1 ? ? +59507 HETATM C C15 . BCR IE 30 . ? -14.287 -24.625 -2.710 1.00 57.45 ? 619 BCR B C15 1 ? ? +59508 HETATM C C16 . BCR IE 30 . ? -14.055 -24.288 -1.388 1.00 57.34 ? 619 BCR B C16 1 ? ? +59509 HETATM C C17 . BCR IE 30 . ? -12.846 -24.276 -0.732 1.00 56.70 ? 619 BCR B C17 1 ? ? +59510 HETATM C C18 . BCR IE 30 . ? -12.520 -23.927 0.588 1.00 56.62 ? 619 BCR B C18 1 ? ? +59511 HETATM C C19 . BCR IE 30 . ? -11.184 -23.950 1.021 1.00 56.08 ? 619 BCR B C19 1 ? ? +59512 HETATM C C20 . BCR IE 30 . ? -10.674 -23.691 2.277 1.00 56.24 ? 619 BCR B C20 1 ? ? +59513 HETATM C C21 . BCR IE 30 . ? -9.330 -23.652 2.593 1.00 55.73 ? 619 BCR B C21 1 ? ? +59514 HETATM C C22 . BCR IE 30 . ? -8.692 -23.433 3.819 1.00 55.82 ? 619 BCR B C22 1 ? ? +59515 HETATM C C23 . BCR IE 30 . ? -7.291 -23.365 3.861 1.00 55.61 ? 619 BCR B C23 1 ? ? +59516 HETATM C C24 . BCR IE 30 . ? -6.508 -23.364 4.972 1.00 55.76 ? 619 BCR B C24 1 ? ? +59517 HETATM C C25 . BCR IE 30 . ? -5.074 -23.203 5.051 1.00 55.62 ? 619 BCR B C25 1 ? ? +59518 HETATM C C26 . BCR IE 30 . ? -4.341 -22.485 4.170 1.00 55.02 ? 619 BCR B C26 1 ? ? +59519 HETATM C C27 . BCR IE 30 . ? -2.840 -22.433 4.251 1.00 54.73 ? 619 BCR B C27 1 ? ? +59520 HETATM C C28 . BCR IE 30 . ? -2.199 -23.512 5.115 1.00 54.97 ? 619 BCR B C28 1 ? ? +59521 HETATM C C29 . BCR IE 30 . ? -2.957 -23.711 6.363 1.00 55.71 ? 619 BCR B C29 1 ? ? +59522 HETATM C C30 . BCR IE 30 . ? -4.427 -24.060 6.124 1.00 56.14 ? 619 BCR B C30 1 ? ? +59523 HETATM C C35 . BCR IE 30 . ? -14.547 -25.441 -5.653 1.00 57.24 ? 619 BCR B C35 1 ? ? +59524 HETATM C C36 . BCR IE 30 . ? -13.589 -23.512 1.535 1.00 56.71 ? 619 BCR B C36 1 ? ? +59525 HETATM C C37 . BCR IE 30 . ? -9.545 -23.224 5.020 1.00 56.20 ? 619 BCR B C37 1 ? ? +59526 HETATM C C38 . BCR IE 30 . ? -4.885 -21.645 3.045 1.00 54.46 ? 619 BCR B C38 1 ? ? +59527 HETATM C C39 . BCR IE 30 . ? -5.155 -23.895 7.467 1.00 57.09 ? 619 BCR B C39 1 ? ? +59528 HETATM C C40 . BCR IE 30 . ? -4.519 -25.534 5.700 1.00 56.21 ? 619 BCR B C40 1 ? ? +59529 HETATM MG MG . CLA IF 33 . ? 55.108 -83.769 -52.756 1.00 75.42 ? 514 CLA C MG 1 ? ? +59530 HETATM C CHA . CLA IF 33 . ? 57.034 -86.447 -51.941 1.00 78.85 ? 514 CLA C CHA 1 ? ? +59531 HETATM C CHB . CLA IF 33 . ? 57.365 -81.723 -51.121 1.00 75.96 ? 514 CLA C CHB 1 ? ? +59532 HETATM C CHC . CLA IF 33 . ? 54.152 -80.928 -54.667 1.00 73.22 ? 514 CLA C CHC 1 ? ? +59533 HETATM C CHD . CLA IF 33 . ? 53.721 -85.716 -55.522 1.00 75.71 ? 514 CLA C CHD 1 ? ? +59534 HETATM N NA . CLA IF 33 . ? 56.903 -83.989 -51.814 1.00 77.12 ? 514 CLA C NA 1 ? ? +59535 HETATM C C1A . CLA IF 33 . ? 57.485 -85.108 -51.514 1.00 78.52 ? 514 CLA C C1A 1 ? ? +59536 HETATM C C2A . CLA IF 33 . ? 58.624 -85.015 -50.551 1.00 79.86 ? 514 CLA C C2A 1 ? ? +59537 HETATM C C3A . CLA IF 33 . ? 58.628 -83.550 -50.200 1.00 78.26 ? 514 CLA C C3A 1 ? ? +59538 HETATM C C4A . CLA IF 33 . ? 57.571 -83.033 -51.124 1.00 77.01 ? 514 CLA C C4A 1 ? ? +59539 HETATM C CMA . CLA IF 33 . ? 58.332 -83.291 -48.725 1.00 77.75 ? 514 CLA C CMA 1 ? ? +59540 HETATM C CAA . CLA IF 33 . ? 59.929 -85.486 -51.191 1.00 82.43 ? 514 CLA C CAA 1 ? ? +59541 HETATM C CBA . CLA IF 33 . ? 60.130 -84.814 -52.549 1.00 83.93 ? 514 CLA C CBA 1 ? ? +59542 HETATM C CGA . CLA IF 33 . ? 61.499 -85.062 -53.097 1.00 87.54 ? 514 CLA C CGA 1 ? ? +59543 HETATM O O1A . CLA IF 33 . ? 62.383 -85.539 -52.419 1.00 89.70 ? 514 CLA C O1A 1 ? ? +59544 HETATM O O2A . CLA IF 33 . ? 61.793 -84.731 -54.472 1.00 92.18 ? 514 CLA C O2A 1 ? ? +59545 HETATM N NB . CLA IF 33 . ? 55.656 -81.761 -52.902 1.00 74.67 ? 514 CLA C NB 1 ? ? +59546 HETATM C C1B . CLA IF 33 . ? 56.501 -81.052 -52.090 1.00 74.86 ? 514 CLA C C1B 1 ? ? +59547 HETATM C C2B . CLA IF 33 . ? 56.664 -79.585 -52.313 1.00 73.98 ? 514 CLA C C2B 1 ? ? +59548 HETATM C C3B . CLA IF 33 . ? 55.688 -79.397 -53.397 1.00 73.54 ? 514 CLA C C3B 1 ? ? +59549 HETATM C C4B . CLA IF 33 . ? 55.120 -80.742 -53.615 1.00 73.73 ? 514 CLA C C4B 1 ? ? +59550 HETATM C CMB . CLA IF 33 . ? 57.579 -78.626 -51.582 1.00 73.87 ? 514 CLA C CMB 1 ? ? +59551 HETATM C CAB . CLA IF 33 . ? 55.241 -78.174 -54.129 1.00 72.95 ? 514 CLA C CAB 1 ? ? +59552 HETATM C CBB . CLA IF 33 . ? 55.602 -76.948 -53.794 1.00 72.70 ? 514 CLA C CBB 1 ? ? +59553 HETATM N NC . CLA IF 33 . ? 54.214 -83.409 -54.635 1.00 74.67 ? 514 CLA C NC 1 ? ? +59554 HETATM C C1C . CLA IF 33 . ? 53.819 -82.233 -55.204 1.00 73.64 ? 514 CLA C C1C 1 ? ? +59555 HETATM C C2C . CLA IF 33 . ? 53.113 -82.268 -56.510 1.00 73.15 ? 514 CLA C C2C 1 ? ? +59556 HETATM C C3C . CLA IF 33 . ? 52.979 -83.687 -56.739 1.00 73.98 ? 514 CLA C C3C 1 ? ? +59557 HETATM C C4C . CLA IF 33 . ? 53.622 -84.264 -55.547 1.00 74.70 ? 514 CLA C C4C 1 ? ? +59558 HETATM C CMC . CLA IF 33 . ? 52.652 -81.147 -57.399 1.00 72.30 ? 514 CLA C CMC 1 ? ? +59559 HETATM C CAC . CLA IF 33 . ? 52.356 -84.382 -57.915 1.00 74.27 ? 514 CLA C CAC 1 ? ? +59560 HETATM C CBC . CLA IF 33 . ? 53.412 -84.506 -58.995 1.00 74.96 ? 514 CLA C CBC 1 ? ? +59561 HETATM N ND . CLA IF 33 . ? 55.530 -85.482 -53.785 1.00 76.91 ? 514 CLA C ND 1 ? ? +59562 HETATM C C1D . CLA IF 33 . ? 54.581 -86.326 -54.543 1.00 76.79 ? 514 CLA C C1D 1 ? ? +59563 HETATM C C2D . CLA IF 33 . ? 54.718 -87.797 -54.313 1.00 77.99 ? 514 CLA C C2D 1 ? ? +59564 HETATM C C3D . CLA IF 33 . ? 55.708 -87.783 -53.237 1.00 78.60 ? 514 CLA C C3D 1 ? ? +59565 HETATM C C4D . CLA IF 33 . ? 56.015 -86.499 -52.962 1.00 78.12 ? 514 CLA C C4D 1 ? ? +59566 HETATM C CMD . CLA IF 33 . ? 54.116 -89.059 -54.857 1.00 78.68 ? 514 CLA C CMD 1 ? ? +59567 HETATM C CAD . CLA IF 33 . ? 56.465 -88.679 -52.321 1.00 79.57 ? 514 CLA C CAD 1 ? ? +59568 HETATM O OBD . CLA IF 33 . ? 56.395 -89.955 -52.266 1.00 80.20 ? 514 CLA C OBD 1 ? ? +59569 HETATM C CBD . CLA IF 33 . ? 57.336 -87.833 -51.446 1.00 79.76 ? 514 CLA C CBD 1 ? ? +59570 HETATM C CGD . CLA IF 33 . ? 56.949 -88.080 -50.026 1.00 79.93 ? 514 CLA C CGD 1 ? ? +59571 HETATM O O1D . CLA IF 33 . ? 56.177 -87.359 -49.408 1.00 79.64 ? 514 CLA C O1D 1 ? ? +59572 HETATM O O2D . CLA IF 33 . ? 57.512 -89.234 -49.377 1.00 81.03 ? 514 CLA C O2D 1 ? ? +59573 HETATM C CED . CLA IF 33 . ? 56.914 -89.845 -48.236 1.00 81.11 ? 514 CLA C CED 1 ? ? +59574 HETATM C C1 . CLA IF 33 . ? 63.142 -84.548 -54.898 1.00 96.31 ? 514 CLA C C1 1 ? ? +59575 HETATM C C2 . CLA IF 33 . ? 63.144 -83.479 -55.967 1.00 99.38 ? 514 CLA C C2 1 ? ? +59576 HETATM C C3 . CLA IF 33 . ? 62.873 -83.751 -57.259 1.00 103.19 ? 514 CLA C C3 1 ? ? +59577 HETATM C C4 . CLA IF 33 . ? 62.569 -85.157 -57.699 1.00 103.13 ? 514 CLA C C4 1 ? ? +59578 HETATM C C5 . CLA IF 33 . ? 62.882 -82.618 -58.267 1.00 105.51 ? 514 CLA C C5 1 ? ? +59579 HETATM C C6 . CLA IF 33 . ? 61.536 -82.562 -58.982 1.00 107.42 ? 514 CLA C C6 1 ? ? +59580 HETATM C C7 . CLA IF 33 . ? 61.503 -81.433 -60.005 1.00 109.14 ? 514 CLA C C7 1 ? ? +59581 HETATM C C8 . CLA IF 33 . ? 60.368 -81.642 -61.018 1.00 109.86 ? 514 CLA C C8 1 ? ? +59582 HETATM C C9 . CLA IF 33 . ? 59.152 -82.549 -60.760 1.00 108.95 ? 514 CLA C C9 1 ? ? +59583 HETATM C C10 . CLA IF 33 . ? 60.323 -80.691 -62.214 1.00 110.15 ? 514 CLA C C10 1 ? ? +59584 HETATM C C11 . CLA IF 33 . ? 59.635 -79.348 -61.984 1.00 109.94 ? 514 CLA C C11 1 ? ? +59585 HETATM C C12 . CLA IF 33 . ? 60.475 -78.304 -61.224 1.00 109.53 ? 514 CLA C C12 1 ? ? +59586 HETATM C C13 . CLA IF 33 . ? 59.875 -76.885 -61.324 1.00 107.77 ? 514 CLA C C13 1 ? ? +59587 HETATM C C14 . CLA IF 33 . ? 60.315 -76.013 -60.145 1.00 107.31 ? 514 CLA C C14 1 ? ? +59588 HETATM C C15 . CLA IF 33 . ? 58.343 -76.970 -61.400 1.00 104.88 ? 514 CLA C C15 1 ? ? +59589 HETATM C C16 . CLA IF 33 . ? 57.603 -75.655 -61.617 1.00 102.23 ? 514 CLA C C16 1 ? ? +59590 HETATM C C17 . CLA IF 33 . ? 56.173 -75.930 -61.157 1.00 100.29 ? 514 CLA C C17 1 ? ? +59591 HETATM C C18 . CLA IF 33 . ? 55.076 -74.972 -61.588 1.00 96.39 ? 514 CLA C C18 1 ? ? +59592 HETATM C C19 . CLA IF 33 . ? 53.981 -74.632 -60.592 1.00 94.40 ? 514 CLA C C19 1 ? ? +59593 HETATM C C20 . CLA IF 33 . ? 55.188 -74.255 -62.907 1.00 95.91 ? 514 CLA C C20 1 ? ? +59594 HETATM O O6 . SQD IG 29 . ? -2.726 -85.348 -28.753 1.00 95.69 ? 103 SQD F O6 1 ? ? +59595 HETATM C C44 . SQD IG 29 . ? -4.084 -84.969 -28.441 1.00 100.31 ? 103 SQD F C44 1 ? ? +59596 HETATM C C45 . SQD IG 29 . ? -4.917 -84.513 -29.617 1.00 103.22 ? 103 SQD F C45 1 ? ? +59597 HETATM C C46 . SQD IG 29 . ? -4.082 -83.828 -30.674 1.00 103.15 ? 103 SQD F C46 1 ? ? +59598 HETATM O O47 . SQD IG 29 . ? -5.630 -85.666 -30.157 1.00 106.51 ? 103 SQD F O47 1 ? ? +59599 HETATM C C7 . SQD IG 29 . ? -6.894 -85.562 -30.644 1.00 109.66 ? 103 SQD F C7 1 ? ? +59600 HETATM O O49 . SQD IG 29 . ? -7.404 -86.573 -31.045 1.00 110.37 ? 103 SQD F O49 1 ? ? +59601 HETATM C C8 . SQD IG 29 . ? -7.679 -84.256 -30.713 1.00 110.87 ? 103 SQD F C8 1 ? ? +59602 HETATM C C9 . SQD IG 29 . ? -9.186 -84.453 -30.875 1.00 111.80 ? 103 SQD F C9 1 ? ? +59603 HETATM C C10 . SQD IG 29 . ? -9.883 -83.327 -31.639 1.00 110.92 ? 103 SQD F C10 1 ? ? +59604 HETATM C C11 . SQD IG 29 . ? -11.380 -83.520 -31.814 1.00 108.71 ? 103 SQD F C11 1 ? ? +59605 HETATM O O48 . SQD IG 29 . ? -4.214 -82.412 -30.436 1.00 104.50 ? 103 SQD F O48 1 ? ? +59606 HETATM C C23 . SQD IG 29 . ? -4.050 -81.604 -31.477 1.00 107.62 ? 103 SQD F C23 1 ? ? +59607 HETATM O O10 . SQD IG 29 . ? -3.701 -81.999 -32.561 1.00 107.04 ? 103 SQD F O10 1 ? ? +59608 HETATM C C24 . SQD IG 29 . ? -4.385 -80.179 -31.091 1.00 108.65 ? 103 SQD F C24 1 ? ? +59609 HETATM C C25 . SQD IG 29 . ? -4.329 -79.187 -32.223 1.00 109.48 ? 103 SQD F C25 1 ? ? +59610 HETATM C C26 . SQD IG 29 . ? -5.701 -78.696 -32.663 1.00 112.23 ? 103 SQD F C26 1 ? ? +59611 HETATM C C27 . SQD IG 29 . ? -5.918 -77.216 -32.480 1.00 114.01 ? 103 SQD F C27 1 ? ? +59612 HETATM C C28 . SQD IG 29 . ? -7.127 -76.689 -33.206 1.00 115.77 ? 103 SQD F C28 1 ? ? +59613 HETATM C C29 . SQD IG 29 . ? -7.506 -75.272 -32.835 1.00 117.11 ? 103 SQD F C29 1 ? ? +59614 HETATM C C30 . SQD IG 29 . ? -8.534 -74.638 -33.746 1.00 117.12 ? 103 SQD F C30 1 ? ? +59615 HETATM C C31 . SQD IG 29 . ? -9.814 -75.433 -33.892 1.00 118.80 ? 103 SQD F C31 1 ? ? +59616 HETATM C C32 . SQD IG 29 . ? -10.201 -75.767 -35.318 1.00 120.26 ? 103 SQD F C32 1 ? ? +59617 HETATM C C33 . SQD IG 29 . ? -11.514 -75.162 -35.757 1.00 122.41 ? 103 SQD F C33 1 ? ? +59618 HETATM C C34 . SQD IG 29 . ? -11.587 -73.660 -35.579 1.00 122.83 ? 103 SQD F C34 1 ? ? +59619 HETATM C C35 . SQD IG 29 . ? -12.171 -72.897 -36.749 1.00 122.37 ? 103 SQD F C35 1 ? ? +59620 HETATM C C36 . SQD IG 29 . ? -11.594 -73.262 -38.098 1.00 120.04 ? 103 SQD F C36 1 ? ? +59621 HETATM C C37 . SQD IG 29 . ? -11.604 -72.147 -39.111 1.00 117.68 ? 103 SQD F C37 1 ? ? +59622 HETATM C C38 . SQD IG 29 . ? -10.946 -72.527 -40.414 1.00 116.54 ? 103 SQD F C38 1 ? ? +59623 HETATM C C1 . SQD IG 29 . ? -1.941 -85.402 -27.593 1.00 92.22 ? 103 SQD F C1 1 ? ? +59624 HETATM C C2 . SQD IG 29 . ? -1.415 -86.792 -27.283 1.00 91.81 ? 103 SQD F C2 1 ? ? +59625 HETATM O O2 . SQD IG 29 . ? -2.395 -87.802 -27.501 1.00 92.82 ? 103 SQD F O2 1 ? ? +59626 HETATM C C3 . SQD IG 29 . ? -0.949 -86.748 -25.837 1.00 90.79 ? 103 SQD F C3 1 ? ? +59627 HETATM O O3 . SQD IG 29 . ? -0.264 -87.957 -25.524 1.00 91.96 ? 103 SQD F O3 1 ? ? +59628 HETATM C C4 . SQD IG 29 . ? -0.037 -85.541 -25.541 1.00 88.55 ? 103 SQD F C4 1 ? ? +59629 HETATM O O4 . SQD IG 29 . ? -0.175 -85.229 -24.154 1.00 87.14 ? 103 SQD F O4 1 ? ? +59630 HETATM C C5 . SQD IG 29 . ? -0.371 -84.253 -26.343 1.00 87.19 ? 103 SQD F C5 1 ? ? +59631 HETATM C C6 . SQD IG 29 . ? 0.775 -83.265 -26.456 1.00 84.69 ? 103 SQD F C6 1 ? ? +59632 HETATM O O5 . SQD IG 29 . ? -0.817 -84.562 -27.682 1.00 89.24 ? 103 SQD F O5 1 ? ? +59633 HETATM S S . SQD IG 29 . ? 0.345 -81.702 -27.173 1.00 82.49 ? 103 SQD F S 1 ? ? +59634 HETATM O O7 . SQD IG 29 . ? -0.358 -81.976 -28.385 1.00 82.52 ? 103 SQD F O7 1 ? ? +59635 HETATM O O8 . SQD IG 29 . ? -0.643 -81.094 -26.168 1.00 82.42 ? 103 SQD F O8 1 ? ? +59636 HETATM O O9 . SQD IG 29 . ? 1.536 -80.898 -27.229 1.00 81.73 ? 103 SQD F O9 1 ? ? +59637 HETATM MG MG A CLA IH 33 . ? 18.965 20.562 2.360 0.40 64.89 ? 405 CLA a MG 1 ? ? +59638 HETATM MG MG B CLA IH 33 . ? 18.997 20.467 2.357 0.60 62.39 ? 405 CLA a MG 1 ? ? +59639 HETATM C CHA A CLA IH 33 . ? 16.015 20.628 4.105 0.40 61.83 ? 405 CLA a CHA 1 ? ? +59640 HETATM C CHA B CLA IH 33 . ? 16.035 20.641 4.089 0.60 59.55 ? 405 CLA a CHA 1 ? ? +59641 HETATM C CHB A CLA IH 33 . ? 20.618 21.074 5.305 0.40 63.78 ? 405 CLA a CHB 1 ? ? +59642 HETATM C CHB B CLA IH 33 . ? 20.660 21.008 5.278 0.60 61.35 ? 405 CLA a CHB 1 ? ? +59643 HETATM C CHC A CLA IH 33 . ? 21.977 19.148 1.061 0.40 62.05 ? 405 CLA a CHC 1 ? ? +59644 HETATM C CHC B CLA IH 33 . ? 21.967 19.012 1.056 0.60 59.43 ? 405 CLA a CHC 1 ? ? +59645 HETATM C CHD A CLA IH 33 . ? 17.260 18.552 -0.141 0.40 60.23 ? 405 CLA a CHD 1 ? ? +59646 HETATM C CHD B CLA IH 33 . ? 17.240 18.504 -0.127 0.60 57.85 ? 405 CLA a CHD 1 ? ? +59647 HETATM N NA A CLA IH 33 . ? 18.447 20.710 4.313 0.40 63.41 ? 405 CLA a NA 1 ? ? +59648 HETATM N NA B CLA IH 33 . ? 18.474 20.683 4.299 0.60 61.11 ? 405 CLA a NA 1 ? ? +59649 HETATM C C1A A CLA IH 33 . ? 17.265 20.775 4.847 0.40 62.89 ? 405 CLA a C1A 1 ? ? +59650 HETATM C C1A B CLA IH 33 . ? 17.293 20.787 4.825 0.60 60.72 ? 405 CLA a C1A 1 ? ? +59651 HETATM C C2A A CLA IH 33 . ? 17.188 21.211 6.280 0.40 63.67 ? 405 CLA a C2A 1 ? ? +59652 HETATM C C2A B CLA IH 33 . ? 17.233 21.235 6.252 0.60 61.68 ? 405 CLA a C2A 1 ? ? +59653 HETATM C C3A A CLA IH 33 . ? 18.625 21.529 6.553 0.40 63.97 ? 405 CLA a C3A 1 ? ? +59654 HETATM C C3A B CLA IH 33 . ? 18.670 21.558 6.523 0.60 61.86 ? 405 CLA a C3A 1 ? ? +59655 HETATM C C4A A CLA IH 33 . ? 19.293 21.050 5.304 0.40 63.78 ? 405 CLA a C4A 1 ? ? +59656 HETATM C C4A B CLA IH 33 . ? 19.330 21.030 5.283 0.60 61.54 ? 405 CLA a C4A 1 ? ? +59657 HETATM C CMA A CLA IH 33 . ? 18.886 23.020 6.733 0.40 64.39 ? 405 CLA a CMA 1 ? ? +59658 HETATM C CMA B CLA IH 33 . ? 18.936 23.052 6.701 0.60 62.28 ? 405 CLA a CMA 1 ? ? +59659 HETATM C CAA A CLA IH 33 . ? 16.640 20.138 7.214 0.40 64.03 ? 405 CLA a CAA 1 ? ? +59660 HETATM C CAA B CLA IH 33 . ? 16.687 20.170 7.198 0.60 62.38 ? 405 CLA a CAA 1 ? ? +59661 HETATM C CBA A CLA IH 33 . ? 17.302 18.815 6.860 0.40 64.07 ? 405 CLA a CBA 1 ? ? +59662 HETATM C CBA B CLA IH 33 . ? 17.243 18.791 6.844 0.60 62.72 ? 405 CLA a CBA 1 ? ? +59663 HETATM C CGA A CLA IH 33 . ? 17.196 17.794 7.959 0.40 64.70 ? 405 CLA a CGA 1 ? ? +59664 HETATM C CGA B CLA IH 33 . ? 17.162 17.804 7.971 0.60 63.80 ? 405 CLA a CGA 1 ? ? +59665 HETATM O O1A A CLA IH 33 . ? 16.486 17.962 8.928 0.40 65.04 ? 405 CLA a O1A 1 ? ? +59666 HETATM O O1A B CLA IH 33 . ? 16.500 18.001 8.967 0.60 64.27 ? 405 CLA a O1A 1 ? ? +59667 HETATM O O2A A CLA IH 33 . ? 17.954 16.570 7.862 0.40 66.01 ? 405 CLA a O2A 1 ? ? +59668 HETATM O O2A B CLA IH 33 . ? 17.897 16.573 7.850 0.60 65.99 ? 405 CLA a O2A 1 ? ? +59669 HETATM N NB A CLA IH 33 . ? 20.896 20.159 3.049 0.40 63.41 ? 405 CLA a NB 1 ? ? +59670 HETATM N NB B CLA IH 33 . ? 20.931 20.047 3.038 0.60 60.88 ? 405 CLA a NB 1 ? ? +59671 HETATM C C1B A CLA IH 33 . ? 21.437 20.530 4.238 0.40 63.44 ? 405 CLA a C1B 1 ? ? +59672 HETATM C C1B B CLA IH 33 . ? 21.470 20.437 4.216 0.60 60.89 ? 405 CLA a C1B 1 ? ? +59673 HETATM C C2B A CLA IH 33 . ? 22.868 20.221 4.501 0.40 63.54 ? 405 CLA a C2B 1 ? ? +59674 HETATM C C2B B CLA IH 33 . ? 22.897 20.133 4.481 0.60 60.98 ? 405 CLA a C2B 1 ? ? +59675 HETATM C C3B A CLA IH 33 . ? 23.243 19.632 3.231 0.40 62.99 ? 405 CLA a C3B 1 ? ? +59676 HETATM C C3B B CLA IH 33 . ? 23.283 19.517 3.226 0.60 60.48 ? 405 CLA a C3B 1 ? ? +59677 HETATM C C4B A CLA IH 33 . ? 22.011 19.703 2.406 0.40 62.73 ? 405 CLA a C4B 1 ? ? +59678 HETATM C C4B B CLA IH 33 . ? 22.045 19.576 2.396 0.60 60.15 ? 405 CLA a C4B 1 ? ? +59679 HETATM C CMB A CLA IH 33 . ? 23.716 20.466 5.727 0.40 64.04 ? 405 CLA a CMB 1 ? ? +59680 HETATM C CMB B CLA IH 33 . ? 23.723 20.408 5.714 0.60 61.43 ? 405 CLA a CMB 1 ? ? +59681 HETATM C CAB A CLA IH 33 . ? 24.621 19.193 2.890 0.40 63.00 ? 405 CLA a CAB 1 ? ? +59682 HETATM C CAB B CLA IH 33 . ? 24.692 19.105 2.955 0.60 60.60 ? 405 CLA a CAB 1 ? ? +59683 HETATM C CBB A CLA IH 33 . ? 24.971 18.934 1.644 0.40 62.53 ? 405 CLA a CBB 1 ? ? +59684 HETATM C CBB B CLA IH 33 . ? 25.191 18.912 1.746 0.60 60.21 ? 405 CLA a CBB 1 ? ? +59685 HETATM N NC A CLA IH 33 . ? 19.477 19.176 0.874 0.40 61.82 ? 405 CLA a NC 1 ? ? +59686 HETATM N NC B CLA IH 33 . ? 19.464 19.070 0.873 0.60 59.28 ? 405 CLA a NC 1 ? ? +59687 HETATM C C1C A CLA IH 33 . ? 20.713 18.794 0.406 0.40 61.60 ? 405 CLA a C1C 1 ? ? +59688 HETATM C C1C B CLA IH 33 . ? 20.695 18.678 0.407 0.60 59.02 ? 405 CLA a C1C 1 ? ? +59689 HETATM C C2C A CLA IH 33 . ? 20.745 17.846 -0.750 0.40 60.69 ? 405 CLA a C2C 1 ? ? +59690 HETATM C C2C B CLA IH 33 . ? 20.721 17.739 -0.750 0.60 58.10 ? 405 CLA a C2C 1 ? ? +59691 HETATM C C3C A CLA IH 33 . ? 19.338 17.707 -1.075 0.40 60.05 ? 405 CLA a C3C 1 ? ? +59692 HETATM C C3C B CLA IH 33 . ? 19.314 17.614 -1.082 0.60 57.50 ? 405 CLA a C3C 1 ? ? +59693 HETATM C C4C A CLA IH 33 . ? 18.703 18.571 -0.083 0.40 60.61 ? 405 CLA a C4C 1 ? ? +59694 HETATM C C4C B CLA IH 33 . ? 18.683 18.483 -0.090 0.60 58.12 ? 405 CLA a C4C 1 ? ? +59695 HETATM C CMC A CLA IH 33 . ? 21.887 17.183 -1.470 0.40 60.46 ? 405 CLA a CMC 1 ? ? +59696 HETATM C CMC B CLA IH 33 . ? 21.863 17.072 -1.464 0.60 57.85 ? 405 CLA a CMC 1 ? ? +59697 HETATM C CAC A CLA IH 33 . ? 18.670 16.935 -2.178 0.40 59.26 ? 405 CLA a CAC 1 ? ? +59698 HETATM C CAC B CLA IH 33 . ? 18.689 16.834 -2.206 0.60 56.72 ? 405 CLA a CAC 1 ? ? +59699 HETATM C CBC A CLA IH 33 . ? 18.907 17.738 -3.451 0.40 59.17 ? 405 CLA a CBC 1 ? ? +59700 HETATM C CBC B CLA IH 33 . ? 18.906 17.670 -3.461 0.60 56.65 ? 405 CLA a CBC 1 ? ? +59701 HETATM N ND A CLA IH 33 . ? 17.247 19.448 2.206 0.40 61.86 ? 405 CLA a ND 1 ? ? +59702 HETATM N ND B CLA IH 33 . ? 17.240 19.422 2.207 0.60 59.49 ? 405 CLA a ND 1 ? ? +59703 HETATM C C1D A CLA IH 33 . ? 16.538 19.137 0.946 0.40 60.65 ? 405 CLA a C1D 1 ? ? +59704 HETATM C C1D B CLA IH 33 . ? 16.534 19.113 0.951 0.60 58.29 ? 405 CLA a C1D 1 ? ? +59705 HETATM C C2D A CLA IH 33 . ? 15.066 19.390 0.923 0.40 60.11 ? 405 CLA a C2D 1 ? ? +59706 HETATM C C2D B CLA IH 33 . ? 15.067 19.366 0.929 0.60 57.80 ? 405 CLA a C2D 1 ? ? +59707 HETATM C C3D A CLA IH 33 . ? 14.932 20.015 2.231 0.40 60.62 ? 405 CLA a C3D 1 ? ? +59708 HETATM C C3D B CLA IH 33 . ? 14.932 20.010 2.228 0.60 58.31 ? 405 CLA a C3D 1 ? ? +59709 HETATM C C4D A CLA IH 33 . ? 16.146 20.068 2.799 0.40 61.40 ? 405 CLA a C4D 1 ? ? +59710 HETATM C C4D B CLA IH 33 . ? 16.148 20.070 2.787 0.60 59.08 ? 405 CLA a C4D 1 ? ? +59711 HETATM C CMD A CLA IH 33 . ? 13.924 19.178 -0.033 0.40 59.52 ? 405 CLA a CMD 1 ? ? +59712 HETATM C CMD B CLA IH 33 . ? 13.941 19.132 -0.036 0.60 57.22 ? 405 CLA a CMD 1 ? ? +59713 HETATM C CAD A CLA IH 33 . ? 13.920 20.623 3.127 0.40 60.79 ? 405 CLA a CAD 1 ? ? +59714 HETATM C CAD B CLA IH 33 . ? 13.930 20.633 3.122 0.60 58.49 ? 405 CLA a CAD 1 ? ? +59715 HETATM O OBD A CLA IH 33 . ? 12.672 20.767 2.878 0.40 60.23 ? 405 CLA a OBD 1 ? ? +59716 HETATM O OBD B CLA IH 33 . ? 12.682 20.787 2.887 0.60 57.94 ? 405 CLA a OBD 1 ? ? +59717 HETATM C CBD A CLA IH 33 . ? 14.611 21.064 4.376 0.40 61.43 ? 405 CLA a CBD 1 ? ? +59718 HETATM C CBD B CLA IH 33 . ? 14.635 21.084 4.360 0.60 59.13 ? 405 CLA a CBD 1 ? ? +59719 HETATM C CGD A CLA IH 33 . ? 14.491 22.544 4.521 0.40 61.63 ? 405 CLA a CGD 1 ? ? +59720 HETATM C CGD B CLA IH 33 . ? 14.530 22.562 4.493 0.60 59.30 ? 405 CLA a CGD 1 ? ? +59721 HETATM O O1D A CLA IH 33 . ? 14.675 23.283 3.573 0.40 61.63 ? 405 CLA a O1D 1 ? ? +59722 HETATM O O1D B CLA IH 33 . ? 14.852 23.302 3.581 0.60 59.40 ? 405 CLA a O1D 1 ? ? +59723 HETATM O O2D A CLA IH 33 . ? 14.154 23.154 5.783 0.40 61.93 ? 405 CLA a O2D 1 ? ? +59724 HETATM O O2D B CLA IH 33 . ? 14.048 23.153 5.714 0.60 59.45 ? 405 CLA a O2D 1 ? ? +59725 HETATM C CED A CLA IH 33 . ? 14.112 24.578 5.814 0.40 62.46 ? 405 CLA a CED 1 ? ? +59726 HETATM C CED B CLA IH 33 . ? 13.961 24.573 5.782 0.60 60.00 ? 405 CLA a CED 1 ? ? +59727 HETATM C C1 A CLA IH 33 . ? 17.930 15.637 8.941 0.40 67.51 ? 405 CLA a C1 1 ? ? +59728 HETATM C C1 B CLA IH 33 . ? 17.908 15.611 8.907 0.60 68.48 ? 405 CLA a C1 1 ? ? +59729 HETATM C C2 A CLA IH 33 . ? 19.106 15.816 9.883 0.40 69.33 ? 405 CLA a C2 1 ? ? +59730 HETATM C C2 B CLA IH 33 . ? 19.052 15.814 9.892 0.60 71.27 ? 405 CLA a C2 1 ? ? +59731 HETATM C C3 A CLA IH 33 . ? 18.901 15.863 11.211 0.40 71.50 ? 405 CLA a C3 1 ? ? +59732 HETATM C C3 B CLA IH 33 . ? 18.879 15.788 11.233 0.60 74.67 ? 405 CLA a C3 1 ? ? +59733 HETATM C C4 A CLA IH 33 . ? 17.500 15.736 11.727 0.40 71.40 ? 405 CLA a C4 1 ? ? +59734 HETATM C C4 B CLA IH 33 . ? 17.519 15.558 11.821 0.60 74.22 ? 405 CLA a C4 1 ? ? +59735 HETATM C C5 A CLA IH 33 . ? 20.046 16.035 12.184 0.40 73.68 ? 405 CLA a C5 1 ? ? +59736 HETATM C C5 B CLA IH 33 . ? 20.048 15.989 12.175 0.60 78.44 ? 405 CLA a C5 1 ? ? +59737 HETATM C C6 A CLA IH 33 . ? 20.214 17.508 12.576 0.40 76.34 ? 405 CLA a C6 1 ? ? +59738 HETATM C C6 B CLA IH 33 . ? 20.210 17.462 12.578 0.60 83.32 ? 405 CLA a C6 1 ? ? +59739 HETATM C C7 A CLA IH 33 . ? 20.715 18.258 11.339 0.40 78.38 ? 405 CLA a C7 1 ? ? +59740 HETATM C C7 B CLA IH 33 . ? 20.771 18.238 11.377 0.60 87.84 ? 405 CLA a C7 1 ? ? +59741 HETATM C C8 A CLA IH 33 . ? 21.208 19.710 11.469 0.40 80.91 ? 405 CLA a C8 1 ? ? +59742 HETATM C C8 B CLA IH 33 . ? 21.209 19.706 11.511 0.60 92.80 ? 405 CLA a C8 1 ? ? +59743 HETATM C C9 A CLA IH 33 . ? 20.441 20.824 10.757 0.40 80.92 ? 405 CLA a C9 1 ? ? +59744 HETATM C C9 B CLA IH 33 . ? 20.380 20.790 10.825 0.60 92.07 ? 405 CLA a C9 1 ? ? +59745 HETATM C C10 A CLA IH 33 . ? 22.345 20.051 12.434 0.40 83.32 ? 405 CLA a C10 1 ? ? +59746 HETATM C C10 B CLA IH 33 . ? 22.377 20.068 12.428 0.60 98.47 ? 405 CLA a C10 1 ? ? +59747 HETATM C C11 A CLA IH 33 . ? 22.297 21.372 13.211 0.40 86.03 ? 405 CLA a C11 1 ? ? +59748 HETATM C C11 B CLA IH 33 . ? 22.325 21.369 13.239 0.60 104.99 ? 405 CLA a C11 1 ? ? +59749 HETATM C C12 A CLA IH 33 . ? 23.648 21.525 13.926 0.40 88.49 ? 405 CLA a C12 1 ? ? +59750 HETATM C C12 B CLA IH 33 . ? 23.693 21.540 13.921 0.60 111.34 ? 405 CLA a C12 1 ? ? +59751 HETATM C C13 A CLA IH 33 . ? 24.066 22.968 14.225 0.40 90.99 ? 405 CLA a C13 1 ? ? +59752 HETATM C C13 B CLA IH 33 . ? 24.079 22.990 14.243 0.60 117.77 ? 405 CLA a C13 1 ? ? +59753 HETATM C C14 A CLA IH 33 . ? 25.555 23.183 13.943 0.40 91.49 ? 405 CLA a C14 1 ? ? +59754 HETATM C C14 B CLA IH 33 . ? 25.555 23.262 13.923 0.60 118.55 ? 405 CLA a C14 1 ? ? +59755 HETATM C C15 A CLA IH 33 . ? 23.725 23.325 15.674 0.40 93.19 ? 405 CLA a C15 1 ? ? +59756 HETATM C C15 B CLA IH 33 . ? 23.721 23.321 15.699 0.60 123.43 ? 405 CLA a C15 1 ? ? +59757 HETATM C C16 A CLA IH 33 . ? 24.783 22.887 16.699 0.40 95.20 ? 405 CLA a C16 1 ? ? +59758 HETATM C C16 B CLA IH 33 . ? 24.732 22.861 16.762 0.60 128.71 ? 405 CLA a C16 1 ? ? +59759 HETATM C C17 A CLA IH 33 . ? 24.639 23.758 17.953 0.40 96.81 ? 405 CLA a C17 1 ? ? +59760 HETATM C C17 B CLA IH 33 . ? 24.595 23.746 18.006 0.60 132.12 ? 405 CLA a C17 1 ? ? +59761 HETATM C C18 A CLA IH 33 . ? 25.343 23.262 19.223 0.40 97.56 ? 405 CLA a C18 1 ? ? +59762 HETATM C C18 B CLA IH 33 . ? 25.341 23.271 19.257 0.60 133.39 ? 405 CLA a C18 1 ? ? +59763 HETATM C C19 A CLA IH 33 . ? 25.724 21.792 19.436 0.40 97.29 ? 405 CLA a C19 1 ? ? +59764 HETATM C C19 B CLA IH 33 . ? 25.738 21.800 19.453 0.60 133.17 ? 405 CLA a C19 1 ? ? +59765 HETATM C C20 A CLA IH 33 . ? 25.919 24.164 20.272 0.40 98.34 ? 405 CLA a C20 1 ? ? +59766 HETATM C C20 B CLA IH 33 . ? 25.901 24.207 20.284 0.60 133.78 ? 405 CLA a C20 1 ? ? +59767 HETATM MG MG . CLA II 33 . ? 35.875 -9.515 -12.157 1.00 50.14 ? 613 CLA b MG 1 ? ? +59768 HETATM C CHA . CLA II 33 . ? 33.966 -11.687 -10.333 1.00 49.81 ? 613 CLA b CHA 1 ? ? +59769 HETATM C CHB . CLA II 33 . ? 36.819 -7.915 -9.516 1.00 50.92 ? 613 CLA b CHB 1 ? ? +59770 HETATM C CHC . CLA II 33 . ? 37.155 -7.035 -14.280 1.00 49.92 ? 613 CLA b CHC 1 ? ? +59771 HETATM C CHD . CLA II 33 . ? 34.211 -10.803 -15.195 1.00 48.81 ? 613 CLA b CHD 1 ? ? +59772 HETATM N NA . CLA II 33 . ? 35.318 -9.676 -10.246 1.00 50.40 ? 613 CLA b NA 1 ? ? +59773 HETATM C C1A . CLA II 33 . ? 34.711 -10.647 -9.648 1.00 50.27 ? 613 CLA b C1A 1 ? ? +59774 HETATM C C2A . CLA II 33 . ? 34.782 -10.609 -8.149 1.00 50.95 ? 613 CLA b C2A 1 ? ? +59775 HETATM C C3A . CLA II 33 . ? 35.556 -9.325 -7.939 1.00 51.18 ? 613 CLA b C3A 1 ? ? +59776 HETATM C C4A . CLA II 33 . ? 35.910 -8.898 -9.327 1.00 50.81 ? 613 CLA b C4A 1 ? ? +59777 HETATM C CMA . CLA II 33 . ? 34.716 -8.268 -7.232 1.00 51.27 ? 613 CLA b CMA 1 ? ? +59778 HETATM C CAA . CLA II 33 . ? 35.452 -11.843 -7.544 1.00 51.77 ? 613 CLA b CAA 1 ? ? +59779 HETATM C CBA . CLA II 33 . ? 35.746 -11.769 -6.044 1.00 52.76 ? 613 CLA b CBA 1 ? ? +59780 HETATM C CGA . CLA II 33 . ? 34.476 -11.891 -5.243 1.00 53.55 ? 613 CLA b CGA 1 ? ? +59781 HETATM O O1A . CLA II 33 . ? 34.155 -12.909 -4.671 1.00 53.94 ? 613 CLA b O1A 1 ? ? +59782 HETATM O O2A . CLA II 33 . ? 33.590 -10.784 -5.094 1.00 54.43 ? 613 CLA b O2A 1 ? ? +59783 HETATM N NB . CLA II 33 . ? 36.786 -7.710 -11.987 1.00 50.24 ? 613 CLA b NB 1 ? ? +59784 HETATM C C1B . CLA II 33 . ? 37.204 -7.262 -10.792 1.00 50.68 ? 613 CLA b C1B 1 ? ? +59785 HETATM C C2B . CLA II 33 . ? 37.999 -6.008 -10.828 1.00 51.08 ? 613 CLA b C2B 1 ? ? +59786 HETATM C C3B . CLA II 33 . ? 38.059 -5.750 -12.271 1.00 50.86 ? 613 CLA b C3B 1 ? ? +59787 HETATM C C4B . CLA II 33 . ? 37.340 -6.885 -12.865 1.00 50.19 ? 613 CLA b C4B 1 ? ? +59788 HETATM C CMB . CLA II 33 . ? 38.569 -5.253 -9.662 1.00 51.57 ? 613 CLA b CMB 1 ? ? +59789 HETATM C CAB . CLA II 33 . ? 38.751 -4.668 -13.039 1.00 51.12 ? 613 CLA b CAB 1 ? ? +59790 HETATM C CBB . CLA II 33 . ? 39.570 -3.815 -12.487 1.00 51.62 ? 613 CLA b CBB 1 ? ? +59791 HETATM N NC . CLA II 33 . ? 35.625 -9.034 -14.183 1.00 49.57 ? 613 CLA b NC 1 ? ? +59792 HETATM C C1C . CLA II 33 . ? 36.309 -8.069 -14.875 1.00 49.70 ? 613 CLA b C1C 1 ? ? +59793 HETATM C C2C . CLA II 33 . ? 36.068 -7.951 -16.332 1.00 49.50 ? 613 CLA b C2C 1 ? ? +59794 HETATM C C3C . CLA II 33 . ? 35.212 -9.070 -16.606 1.00 49.05 ? 613 CLA b C3C 1 ? ? +59795 HETATM C C4C . CLA II 33 . ? 35.073 -9.664 -15.265 1.00 49.12 ? 613 CLA b C4C 1 ? ? +59796 HETATM C CMC . CLA II 33 . ? 36.620 -6.944 -17.299 1.00 49.80 ? 613 CLA b CMC 1 ? ? +59797 HETATM C CAC . CLA II 33 . ? 34.655 -9.512 -17.935 1.00 48.84 ? 613 CLA b CAC 1 ? ? +59798 HETATM C CBC . CLA II 33 . ? 33.272 -8.952 -18.212 1.00 48.44 ? 613 CLA b CBC 1 ? ? +59799 HETATM N ND . CLA II 33 . ? 34.478 -10.899 -12.709 1.00 49.29 ? 613 CLA b ND 1 ? ? +59800 HETATM C C1D . CLA II 33 . ? 33.827 -11.298 -13.922 1.00 48.87 ? 613 CLA b C1D 1 ? ? +59801 HETATM C C2D . CLA II 33 . ? 32.995 -12.504 -13.682 1.00 48.69 ? 613 CLA b C2D 1 ? ? +59802 HETATM C C3D . CLA II 33 . ? 33.073 -12.591 -12.221 1.00 49.10 ? 613 CLA b C3D 1 ? ? +59803 HETATM C C4D . CLA II 33 . ? 33.794 -11.555 -11.748 1.00 49.38 ? 613 CLA b C4D 1 ? ? +59804 HETATM C CMD . CLA II 33 . ? 32.190 -13.446 -14.517 1.00 48.40 ? 613 CLA b CMD 1 ? ? +59805 HETATM C CAD . CLA II 33 . ? 32.511 -13.347 -11.091 1.00 49.18 ? 613 CLA b CAD 1 ? ? +59806 HETATM O OBD . CLA II 33 . ? 31.768 -14.370 -11.175 1.00 48.93 ? 613 CLA b OBD 1 ? ? +59807 HETATM C CBD . CLA II 33 . ? 33.091 -12.812 -9.827 1.00 49.74 ? 613 CLA b CBD 1 ? ? +59808 HETATM C CGD . CLA II 33 . ? 32.046 -12.491 -8.790 1.00 49.67 ? 613 CLA b CGD 1 ? ? +59809 HETATM O O1D . CLA II 33 . ? 31.445 -11.432 -8.732 1.00 49.66 ? 613 CLA b O1D 1 ? ? +59810 HETATM O O2D . CLA II 33 . ? 31.819 -13.497 -7.774 1.00 49.88 ? 613 CLA b O2D 1 ? ? +59811 HETATM C CED . CLA II 33 . ? 30.567 -13.687 -7.133 1.00 49.92 ? 613 CLA b CED 1 ? ? +59812 HETATM C C1 . CLA II 33 . ? 32.367 -11.019 -4.430 1.00 55.75 ? 613 CLA b C1 1 ? ? +59813 HETATM C C2 . CLA II 33 . ? 31.362 -10.176 -5.177 1.00 56.43 ? 613 CLA b C2 1 ? ? +59814 HETATM C C3 . CLA II 33 . ? 31.234 -8.881 -4.902 1.00 58.22 ? 613 CLA b C3 1 ? ? +59815 HETATM C C4 . CLA II 33 . ? 32.018 -8.214 -3.833 1.00 58.78 ? 613 CLA b C4 1 ? ? +59816 HETATM C C5 . CLA II 33 . ? 30.242 -8.068 -5.657 1.00 60.31 ? 613 CLA b C5 1 ? ? +59817 HETATM C C6 . CLA II 33 . ? 30.921 -7.001 -6.503 1.00 62.26 ? 613 CLA b C6 1 ? ? +59818 HETATM C C7 . CLA II 33 . ? 29.791 -6.218 -7.135 1.00 63.68 ? 613 CLA b C7 1 ? ? +59819 HETATM C C8 . CLA II 33 . ? 30.163 -5.111 -8.100 1.00 65.90 ? 613 CLA b C8 1 ? ? +59820 HETATM C C9 . CLA II 33 . ? 31.568 -4.568 -8.223 1.00 66.74 ? 613 CLA b C9 1 ? ? +59821 HETATM C C10 . CLA II 33 . ? 29.128 -4.538 -9.064 1.00 69.39 ? 613 CLA b C10 1 ? ? +59822 HETATM C C11 . CLA II 33 . ? 27.807 -5.320 -9.096 1.00 71.54 ? 613 CLA b C11 1 ? ? +59823 HETATM C C12 . CLA II 33 . ? 26.691 -4.350 -9.417 1.00 75.30 ? 613 CLA b C12 1 ? ? +59824 HETATM C C13 . CLA II 33 . ? 25.378 -5.025 -9.795 1.00 79.92 ? 613 CLA b C13 1 ? ? +59825 HETATM C C14 . CLA II 33 . ? 24.817 -5.851 -8.638 1.00 80.39 ? 613 CLA b C14 1 ? ? +59826 HETATM C C15 . CLA II 33 . ? 25.625 -5.833 -11.059 1.00 83.06 ? 613 CLA b C15 1 ? ? +59827 HETATM C C16 . CLA II 33 . ? 24.364 -6.545 -11.499 1.00 86.26 ? 613 CLA b C16 1 ? ? +59828 HETATM C C17 . CLA II 33 . ? 24.692 -7.344 -12.752 1.00 89.55 ? 613 CLA b C17 1 ? ? +59829 HETATM C C18 . CLA II 33 . ? 23.549 -7.499 -13.747 1.00 92.58 ? 613 CLA b C18 1 ? ? +59830 HETATM C C19 . CLA II 33 . ? 23.510 -8.802 -14.540 1.00 94.34 ? 613 CLA b C19 1 ? ? +59831 HETATM C C20 . CLA II 33 . ? 22.402 -6.451 -13.801 1.00 92.16 ? 613 CLA b C20 1 ? ? +59832 HETATM MG MG . CLA IJ 33 . ? -10.459 19.551 31.199 1.00 66.97 ? 510 CLA c MG 1 ? ? +59833 HETATM C CHA . CLA IJ 33 . ? -12.926 19.467 28.772 1.00 66.30 ? 510 CLA c CHA 1 ? ? +59834 HETATM C CHB . CLA IJ 33 . ? -9.331 22.418 30.123 1.00 67.05 ? 510 CLA c CHB 1 ? ? +59835 HETATM C CHC . CLA IJ 33 . ? -7.422 18.930 32.863 1.00 66.87 ? 510 CLA c CHC 1 ? ? +59836 HETATM C CHD . CLA IJ 33 . ? -11.269 16.074 31.991 1.00 66.76 ? 510 CLA c CHD 1 ? ? +59837 HETATM N NA . CLA IJ 33 . ? -10.920 20.663 29.592 1.00 66.79 ? 510 CLA c NA 1 ? ? +59838 HETATM C C1A . CLA IJ 33 . ? -11.967 20.596 28.816 1.00 66.70 ? 510 CLA c C1A 1 ? ? +59839 HETATM C C2A . CLA IJ 33 . ? -12.223 21.845 28.014 1.00 67.11 ? 510 CLA c C2A 1 ? ? +59840 HETATM C C3A . CLA IJ 33 . ? -11.015 22.679 28.357 1.00 67.00 ? 510 CLA c C3A 1 ? ? +59841 HETATM C C4A . CLA IJ 33 . ? -10.336 21.860 29.415 1.00 66.96 ? 510 CLA c C4A 1 ? ? +59842 HETATM C CMA . CLA IJ 33 . ? -10.142 22.939 27.139 1.00 66.37 ? 510 CLA c CMA 1 ? ? +59843 HETATM C CAA . CLA IJ 33 . ? -13.493 22.602 28.419 1.00 68.48 ? 510 CLA c CAA 1 ? ? +59844 HETATM C CBA . CLA IJ 33 . ? -13.754 23.893 27.617 1.00 69.03 ? 510 CLA c CBA 1 ? ? +59845 HETATM C CGA . CLA IJ 33 . ? -14.237 23.552 26.234 1.00 68.98 ? 510 CLA c CGA 1 ? ? +59846 HETATM O O1A . CLA IJ 33 . ? -14.669 22.451 25.988 1.00 69.46 ? 510 CLA c O1A 1 ? ? +59847 HETATM O O2A . CLA IJ 33 . ? -14.144 24.495 25.150 1.00 69.24 ? 510 CLA c O2A 1 ? ? +59848 HETATM N NB . CLA IJ 33 . ? -8.635 20.450 31.407 1.00 66.84 ? 510 CLA c NB 1 ? ? +59849 HETATM C C1B . CLA IJ 33 . ? -8.403 21.715 31.020 1.00 66.89 ? 510 CLA c C1B 1 ? ? +59850 HETATM C C2B . CLA IJ 33 . ? -7.089 22.289 31.386 1.00 66.83 ? 510 CLA c C2B 1 ? ? +59851 HETATM C C3B . CLA IJ 33 . ? -6.530 21.205 32.185 1.00 66.84 ? 510 CLA c C3B 1 ? ? +59852 HETATM C C4B . CLA IJ 33 . ? -7.587 20.190 32.186 1.00 66.83 ? 510 CLA c C4B 1 ? ? +59853 HETATM C CMB . CLA IJ 33 . ? -6.536 23.634 31.033 1.00 66.94 ? 510 CLA c CMB 1 ? ? +59854 HETATM C CAB . CLA IJ 33 . ? -5.256 21.102 32.935 1.00 66.93 ? 510 CLA c CAB 1 ? ? +59855 HETATM C CBB . CLA IJ 33 . ? -4.488 22.146 33.153 1.00 67.11 ? 510 CLA c CBB 1 ? ? +59856 HETATM N NC . CLA IJ 33 . ? -9.550 17.897 32.115 1.00 66.74 ? 510 CLA c NC 1 ? ? +59857 HETATM C C1C . CLA IJ 33 . ? -8.380 17.847 32.800 1.00 66.79 ? 510 CLA c C1C 1 ? ? +59858 HETATM C C2C . CLA IJ 33 . ? -7.983 16.582 33.465 1.00 66.85 ? 510 CLA c C2C 1 ? ? +59859 HETATM C C3C . CLA IJ 33 . ? -9.133 15.740 33.216 1.00 66.73 ? 510 CLA c C3C 1 ? ? +59860 HETATM C C4C . CLA IJ 33 . ? -10.016 16.650 32.457 1.00 66.74 ? 510 CLA c C4C 1 ? ? +59861 HETATM C CMC . CLA IJ 33 . ? -6.728 16.249 34.232 1.00 66.91 ? 510 CLA c CMC 1 ? ? +59862 HETATM C CAC . CLA IJ 33 . ? -9.349 14.318 33.665 1.00 66.81 ? 510 CLA c CAC 1 ? ? +59863 HETATM C CBC . CLA IJ 33 . ? -8.582 13.366 32.782 1.00 66.06 ? 510 CLA c CBC 1 ? ? +59864 HETATM N ND . CLA IJ 33 . ? -11.793 18.109 30.591 1.00 66.55 ? 510 CLA c ND 1 ? ? +59865 HETATM C C1D . CLA IJ 33 . ? -12.013 16.734 30.962 1.00 66.47 ? 510 CLA c C1D 1 ? ? +59866 HETATM C C2D . CLA IJ 33 . ? -13.270 16.258 30.350 1.00 66.39 ? 510 CLA c C2D 1 ? ? +59867 HETATM C C3D . CLA IJ 33 . ? -13.596 17.390 29.462 1.00 66.32 ? 510 CLA c C3D 1 ? ? +59868 HETATM C C4D . CLA IJ 33 . ? -12.610 18.281 29.526 1.00 66.27 ? 510 CLA c C4D 1 ? ? +59869 HETATM C CMD . CLA IJ 33 . ? -14.097 15.017 30.472 1.00 66.62 ? 510 CLA c CMD 1 ? ? +59870 HETATM C CAD . CLA IJ 33 . ? -14.570 17.851 28.440 1.00 66.24 ? 510 CLA c CAD 1 ? ? +59871 HETATM O OBD . CLA IJ 33 . ? -15.606 17.192 28.053 1.00 66.35 ? 510 CLA c OBD 1 ? ? +59872 HETATM C CBD . CLA IJ 33 . ? -14.155 19.213 27.965 1.00 66.05 ? 510 CLA c CBD 1 ? ? +59873 HETATM C CGD . CLA IJ 33 . ? -13.838 19.183 26.516 1.00 65.08 ? 510 CLA c CGD 1 ? ? +59874 HETATM O O1D . CLA IJ 33 . ? -14.632 19.538 25.667 1.00 64.81 ? 510 CLA c O1D 1 ? ? +59875 HETATM O O2D . CLA IJ 33 . ? -12.546 18.695 26.105 1.00 64.34 ? 510 CLA c O2D 1 ? ? +59876 HETATM C CED . CLA IJ 33 . ? -12.298 18.519 24.723 1.00 63.59 ? 510 CLA c CED 1 ? ? +59877 HETATM C C1 . CLA IJ 33 . ? -15.241 24.940 24.357 1.00 69.72 ? 510 CLA c C1 1 ? ? +59878 HETATM C C2 . CLA IJ 33 . ? -16.472 24.041 24.338 1.00 70.04 ? 510 CLA c C2 1 ? ? +59879 HETATM C C3 . CLA IJ 33 . ? -17.691 24.544 24.593 1.00 70.94 ? 510 CLA c C3 1 ? ? +59880 HETATM C C4 . CLA IJ 33 . ? -17.853 25.996 24.910 1.00 71.46 ? 510 CLA c C4 1 ? ? +59881 HETATM C C5 . CLA IJ 33 . ? -18.927 23.667 24.558 1.00 71.76 ? 510 CLA c C5 1 ? ? +59882 HETATM C C6 . CLA IJ 33 . ? -19.583 23.450 25.930 1.00 72.87 ? 510 CLA c C6 1 ? ? +59883 HETATM C C7 . CLA IJ 33 . ? -18.500 23.472 26.987 1.00 73.32 ? 510 CLA c C7 1 ? ? +59884 HETATM C C8 . CLA IJ 33 . ? -18.789 22.969 28.381 1.00 74.40 ? 510 CLA c C8 1 ? ? +59885 HETATM C C9 . CLA IJ 33 . ? -19.818 23.633 29.266 1.00 75.67 ? 510 CLA c C9 1 ? ? +59886 HETATM C C10 . CLA IJ 33 . ? -17.887 21.924 28.881 1.00 74.47 ? 510 CLA c C10 1 ? ? +59887 HETATM C C11 . CLA IJ 33 . ? -17.561 22.029 30.353 1.00 75.15 ? 510 CLA c C11 1 ? ? +59888 HETATM C C12 . CLA IJ 33 . ? -17.127 20.656 30.853 1.00 75.18 ? 510 CLA c C12 1 ? ? +59889 HETATM C C13 . CLA IJ 33 . ? -16.132 20.792 31.992 1.00 75.85 ? 510 CLA c C13 1 ? ? +59890 HETATM C C14 . CLA IJ 33 . ? -14.922 21.655 31.635 1.00 75.52 ? 510 CLA c C14 1 ? ? +59891 HETATM C C15 . CLA IJ 33 . ? -15.643 19.417 32.410 1.00 75.83 ? 510 CLA c C15 1 ? ? +59892 HETATM C C16 . CLA IJ 33 . ? -16.777 18.589 32.986 1.00 76.51 ? 510 CLA c C16 1 ? ? +59893 HETATM C C17 . CLA IJ 33 . ? -16.192 17.447 33.805 1.00 76.70 ? 510 CLA c C17 1 ? ? +59894 HETATM C C18 . CLA IJ 33 . ? -15.923 17.617 35.295 1.00 77.56 ? 510 CLA c C18 1 ? ? +59895 HETATM C C19 . CLA IJ 33 . ? -14.664 18.272 35.839 1.00 77.78 ? 510 CLA c C19 1 ? ? +59896 HETATM C C20 . CLA IJ 33 . ? -16.968 17.039 36.241 1.00 78.43 ? 510 CLA c C20 1 ? ? +59897 HETATM O O1 A LHG IK 39 . ? 3.003 9.424 31.824 0.40 67.01 ? 408 LHG d O1 1 ? ? +59898 HETATM O O1 B LHG IK 39 . ? 3.027 9.392 31.802 0.60 66.84 ? 408 LHG d O1 1 ? ? +59899 HETATM C C1 A LHG IK 39 . ? 1.926 9.753 30.952 0.40 66.54 ? 408 LHG d C1 1 ? ? +59900 HETATM C C1 B LHG IK 39 . ? 1.973 9.777 30.925 0.60 66.33 ? 408 LHG d C1 1 ? ? +59901 HETATM C C2 A LHG IK 39 . ? 1.763 8.729 29.850 0.40 65.88 ? 408 LHG d C2 1 ? ? +59902 HETATM C C2 B LHG IK 39 . ? 1.761 8.765 29.820 0.60 65.66 ? 408 LHG d C2 1 ? ? +59903 HETATM O O2 A LHG IK 39 . ? 1.681 7.421 30.412 0.40 65.84 ? 408 LHG d O2 1 ? ? +59904 HETATM O O2 B LHG IK 39 . ? 1.583 7.468 30.382 0.60 65.55 ? 408 LHG d O2 1 ? ? +59905 HETATM C C3 A LHG IK 39 . ? 2.881 8.757 28.831 0.40 65.53 ? 408 LHG d C3 1 ? ? +59906 HETATM C C3 B LHG IK 39 . ? 2.889 8.722 28.812 0.60 65.36 ? 408 LHG d C3 1 ? ? +59907 HETATM O O3 A LHG IK 39 . ? 4.106 8.201 29.393 0.40 66.07 ? 408 LHG d O3 1 ? ? +59908 HETATM O O3 B LHG IK 39 . ? 4.101 8.158 29.400 0.60 65.99 ? 408 LHG d O3 1 ? ? +59909 HETATM P P A LHG IK 39 . ? 4.440 6.645 29.181 0.40 66.03 ? 408 LHG d P 1 ? ? +59910 HETATM P P B LHG IK 39 . ? 4.463 6.611 29.161 0.60 65.91 ? 408 LHG d P 1 ? ? +59911 HETATM O O4 A LHG IK 39 . ? 5.737 6.346 29.880 0.40 66.52 ? 408 LHG d O4 1 ? ? +59912 HETATM O O4 B LHG IK 39 . ? 5.773 6.342 29.845 0.60 66.51 ? 408 LHG d O4 1 ? ? +59913 HETATM O O5 A LHG IK 39 . ? 3.220 5.823 29.486 0.40 66.22 ? 408 LHG d O5 1 ? ? +59914 HETATM O O5 B LHG IK 39 . ? 3.279 5.735 29.450 0.60 66.09 ? 408 LHG d O5 1 ? ? +59915 HETATM O O6 A LHG IK 39 . ? 4.678 6.531 27.598 0.40 66.04 ? 408 LHG d O6 1 ? ? +59916 HETATM O O6 B LHG IK 39 . ? 4.675 6.517 27.574 0.60 66.35 ? 408 LHG d O6 1 ? ? +59917 HETATM C C4 A LHG IK 39 . ? 5.922 7.013 27.029 0.40 66.56 ? 408 LHG d C4 1 ? ? +59918 HETATM C C4 B LHG IK 39 . ? 5.920 6.971 26.987 0.60 67.23 ? 408 LHG d C4 1 ? ? +59919 HETATM C C5 A LHG IK 39 . ? 5.693 7.470 25.605 0.40 66.58 ? 408 LHG d C5 1 ? ? +59920 HETATM C C5 B LHG IK 39 . ? 5.671 7.429 25.567 0.60 67.67 ? 408 LHG d C5 1 ? ? +59921 HETATM C C6 A LHG IK 39 . ? 4.982 6.447 24.748 0.40 66.03 ? 408 LHG d C6 1 ? ? +59922 HETATM C C6 B LHG IK 39 . ? 4.946 6.402 24.727 0.60 67.12 ? 408 LHG d C6 1 ? ? +59923 HETATM O O7 A LHG IK 39 . ? 4.899 8.688 25.600 0.40 67.73 ? 408 LHG d O7 1 ? ? +59924 HETATM O O7 B LHG IK 39 . ? 4.880 8.652 25.557 0.60 69.33 ? 408 LHG d O7 1 ? ? +59925 HETATM C C7 A LHG IK 39 . ? 5.518 9.836 25.913 0.40 69.48 ? 408 LHG d C7 1 ? ? +59926 HETATM C C7 B LHG IK 39 . ? 5.491 9.812 25.852 0.60 72.18 ? 408 LHG d C7 1 ? ? +59927 HETATM O O9 A LHG IK 39 . ? 6.674 9.877 26.239 0.40 69.42 ? 408 LHG d O9 1 ? ? +59928 HETATM O O9 B LHG IK 39 . ? 6.647 9.882 26.176 0.60 71.85 ? 408 LHG d O9 1 ? ? +59929 HETATM C C8 A LHG IK 39 . ? 4.645 11.047 25.797 0.40 70.83 ? 408 LHG d C8 1 ? ? +59930 HETATM C C8 B LHG IK 39 . ? 4.616 11.019 25.723 0.60 74.63 ? 408 LHG d C8 1 ? ? +59931 HETATM C C9 A LHG IK 39 . ? 5.396 12.322 25.995 0.40 72.39 ? 408 LHG d C9 1 ? ? +59932 HETATM C C9 B LHG IK 39 . ? 5.354 12.282 26.008 0.60 77.47 ? 408 LHG d C9 1 ? ? +59933 HETATM C C10 A LHG IK 39 . ? 4.539 13.553 25.742 0.40 74.05 ? 408 LHG d C10 1 ? ? +59934 HETATM C C10 B LHG IK 39 . ? 4.509 13.530 25.806 0.60 80.83 ? 408 LHG d C10 1 ? ? +59935 HETATM O O8 A LHG IK 39 . ? 5.084 6.864 23.370 0.40 65.33 ? 408 LHG d O8 1 ? ? +59936 HETATM O O8 B LHG IK 39 . ? 5.083 6.773 23.338 0.60 66.39 ? 408 LHG d O8 1 ? ? +59937 HETATM C C23 A LHG IK 39 . ? 4.797 5.943 22.459 0.40 65.04 ? 408 LHG d C23 1 ? ? +59938 HETATM C C23 B LHG IK 39 . ? 4.761 5.851 22.438 0.60 66.34 ? 408 LHG d C23 1 ? ? +59939 HETATM O O10 A LHG IK 39 . ? 4.406 4.842 22.738 0.40 64.82 ? 408 LHG d O10 1 ? ? +59940 HETATM O O10 B LHG IK 39 . ? 4.299 4.779 22.724 0.60 65.92 ? 408 LHG d O10 1 ? ? +59941 HETATM C C24 A LHG IK 39 . ? 5.045 6.454 21.069 0.40 64.88 ? 408 LHG d C24 1 ? ? +59942 HETATM C C24 B LHG IK 39 . ? 5.068 6.318 21.047 0.60 66.51 ? 408 LHG d C24 1 ? ? +59943 HETATM C C11 A LHG IK 39 . ? 4.980 14.774 26.508 0.40 76.29 ? 408 LHG d C11 1 ? ? +59944 HETATM C C11 B LHG IK 39 . ? 5.056 14.743 26.525 0.60 84.83 ? 408 LHG d C11 1 ? ? +59945 HETATM C C12 A LHG IK 39 . ? 5.014 16.036 25.687 0.40 77.68 ? 408 LHG d C12 1 ? ? +59946 HETATM C C12 B LHG IK 39 . ? 5.102 16.008 25.707 0.60 88.00 ? 408 LHG d C12 1 ? ? +59947 HETATM C C13 A LHG IK 39 . ? 5.789 15.903 24.400 0.40 79.06 ? 408 LHG d C13 1 ? ? +59948 HETATM C C13 B LHG IK 39 . ? 5.863 15.893 24.407 0.60 91.78 ? 408 LHG d C13 1 ? ? +59949 HETATM C C14 A LHG IK 39 . ? 6.123 17.221 23.752 0.40 80.79 ? 408 LHG d C14 1 ? ? +59950 HETATM C C14 B LHG IK 39 . ? 6.199 17.225 23.785 0.60 95.83 ? 408 LHG d C14 1 ? ? +59951 HETATM C C15 A LHG IK 39 . ? 6.608 17.126 22.324 0.40 81.73 ? 408 LHG d C15 1 ? ? +59952 HETATM C C15 B LHG IK 39 . ? 6.748 17.151 22.381 0.60 98.84 ? 408 LHG d C15 1 ? ? +59953 HETATM C C16 A LHG IK 39 . ? 7.002 18.464 21.755 0.40 83.19 ? 408 LHG d C16 1 ? ? +59954 HETATM C C16 B LHG IK 39 . ? 7.035 18.507 21.790 0.60 102.26 ? 408 LHG d C16 1 ? ? +59955 HETATM C C17 A LHG IK 39 . ? 7.262 18.492 20.275 0.40 83.84 ? 408 LHG d C17 1 ? ? +59956 HETATM C C17 B LHG IK 39 . ? 7.229 18.529 20.300 0.60 104.71 ? 408 LHG d C17 1 ? ? +59957 HETATM C C18 A LHG IK 39 . ? 7.432 19.891 19.741 0.40 85.15 ? 408 LHG d C18 1 ? ? +59958 HETATM C C18 B LHG IK 39 . ? 7.358 19.921 19.738 0.60 107.82 ? 408 LHG d C18 1 ? ? +59959 HETATM C C19 A LHG IK 39 . ? 7.885 19.971 18.308 0.40 85.79 ? 408 LHG d C19 1 ? ? +59960 HETATM C C19 B LHG IK 39 . ? 7.763 19.974 18.289 0.60 110.14 ? 408 LHG d C19 1 ? ? +59961 HETATM C C20 A LHG IK 39 . ? 8.043 21.384 17.805 0.40 86.92 ? 408 LHG d C20 1 ? ? +59962 HETATM C C20 B LHG IK 39 . ? 7.959 21.374 17.766 0.60 112.77 ? 408 LHG d C20 1 ? ? +59963 HETATM C C21 A LHG IK 39 . ? 8.181 21.504 16.311 0.40 86.79 ? 408 LHG d C21 1 ? ? +59964 HETATM C C21 B LHG IK 39 . ? 8.126 21.467 16.272 0.60 113.13 ? 408 LHG d C21 1 ? ? +59965 HETATM C C22 A LHG IK 39 . ? 9.470 20.922 15.783 0.40 86.55 ? 408 LHG d C22 1 ? ? +59966 HETATM C C22 B LHG IK 39 . ? 9.473 20.986 15.788 0.60 112.94 ? 408 LHG d C22 1 ? ? +59967 HETATM C C25 A LHG IK 39 . ? 3.824 6.433 20.207 0.40 65.12 ? 408 LHG d C25 1 ? ? +59968 HETATM C C25 B LHG IK 39 . ? 3.847 6.461 20.193 0.60 67.19 ? 408 LHG d C25 1 ? ? +59969 HETATM C C26 A LHG IK 39 . ? 4.092 6.923 18.797 0.40 65.08 ? 408 LHG d C26 1 ? ? +59970 HETATM C C26 B LHG IK 39 . ? 4.158 6.885 18.769 0.60 67.54 ? 408 LHG d C26 1 ? ? +59971 HETATM C C27 A LHG IK 39 . ? 4.712 8.293 18.731 0.40 65.81 ? 408 LHG d C27 1 ? ? +59972 HETATM C C27 B LHG IK 39 . ? 4.754 8.264 18.642 0.60 68.69 ? 408 LHG d C27 1 ? ? +59973 HETATM C C28 A LHG IK 39 . ? 3.716 9.411 18.623 0.40 66.61 ? 408 LHG d C28 1 ? ? +59974 HETATM C C28 B LHG IK 39 . ? 3.744 9.373 18.636 0.60 69.99 ? 408 LHG d C28 1 ? ? +59975 HETATM C C29 A LHG IK 39 . ? 4.263 10.757 19.009 0.40 67.68 ? 408 LHG d C29 1 ? ? +59976 HETATM C C29 B LHG IK 39 . ? 4.308 10.721 19.005 0.60 71.72 ? 408 LHG d C29 1 ? ? +59977 HETATM C C30 A LHG IK 39 . ? 3.499 11.427 20.114 0.40 69.26 ? 408 LHG d C30 1 ? ? +59978 HETATM C C30 B LHG IK 39 . ? 3.647 11.354 20.196 0.60 74.29 ? 408 LHG d C30 1 ? ? +59979 HETATM C C31 A LHG IK 39 . ? 4.372 12.098 21.138 0.40 70.66 ? 408 LHG d C31 1 ? ? +59980 HETATM C C31 B LHG IK 39 . ? 4.567 12.191 21.052 0.60 76.55 ? 408 LHG d C31 1 ? ? +59981 HETATM C C32 A LHG IK 39 . ? 4.538 13.577 20.916 0.40 71.71 ? 408 LHG d C32 1 ? ? +59982 HETATM C C32 B LHG IK 39 . ? 4.668 13.639 20.638 0.60 78.53 ? 408 LHG d C32 1 ? ? +59983 HETATM C C33 A LHG IK 39 . ? 3.239 14.299 20.656 0.40 72.62 ? 408 LHG d C33 1 ? ? +59984 HETATM C C33 B LHG IK 39 . ? 3.337 14.351 20.518 0.60 80.47 ? 408 LHG d C33 1 ? ? +59985 HETATM C C34 A LHG IK 39 . ? 3.402 15.739 20.246 0.40 73.53 ? 408 LHG d C34 1 ? ? +59986 HETATM C C34 B LHG IK 39 . ? 3.451 15.851 20.385 0.60 82.34 ? 408 LHG d C34 1 ? ? +59987 HETATM C C35 A LHG IK 39 . ? 2.355 16.646 20.824 0.40 74.69 ? 408 LHG d C35 1 ? ? +59988 HETATM C C35 B LHG IK 39 . ? 2.215 16.612 20.785 0.60 84.05 ? 408 LHG d C35 1 ? ? +59989 HETATM C C36 A LHG IK 39 . ? 2.010 16.330 22.261 0.40 75.83 ? 408 LHG d C36 1 ? ? +59990 HETATM C C36 B LHG IK 39 . ? 1.803 16.434 22.233 0.60 86.03 ? 408 LHG d C36 1 ? ? +59991 HETATM C C37 A LHG IK 39 . ? 2.883 17.007 23.290 0.40 76.47 ? 408 LHG d C37 1 ? ? +59992 HETATM C C37 B LHG IK 39 . ? 2.735 17.030 23.259 0.60 86.79 ? 408 LHG d C37 1 ? ? +59993 HETATM C C38 A LHG IK 39 . ? 2.325 16.964 24.699 0.40 77.26 ? 408 LHG d C38 1 ? ? +59994 HETATM C C38 B LHG IK 39 . ? 2.134 17.116 24.653 0.60 87.67 ? 408 LHG d C38 1 ? ? +59995 HETATM C C1 A GOL IL 38 . ? -0.669 38.062 -15.547 0.40 92.65 ? 202 GOL v C1 1 ? ? +59996 HETATM C C1 B GOL IL 38 . ? -0.572 37.948 -15.451 0.60 72.31 ? 202 GOL v C1 1 ? ? +59997 HETATM O O1 A GOL IL 38 . ? -0.027 37.371 -16.615 0.40 91.42 ? 202 GOL v O1 1 ? ? +59998 HETATM O O1 B GOL IL 38 . ? -0.109 37.127 -16.521 0.60 71.52 ? 202 GOL v O1 1 ? ? +59999 HETATM C C2 A GOL IL 38 . ? -1.466 37.122 -14.668 0.40 93.06 ? 202 GOL v C2 1 ? ? +60000 HETATM C C2 B GOL IL 38 . ? -1.399 37.168 -14.448 0.60 72.59 ? 202 GOL v C2 1 ? ? +60001 HETATM O O2 A GOL IL 38 . ? -2.376 37.870 -13.863 0.40 93.51 ? 202 GOL v O2 1 ? ? +60002 HETATM O O2 B GOL IL 38 . ? -2.136 38.074 -13.628 0.60 73.09 ? 202 GOL v O2 1 ? ? +60003 HETATM C C3 A GOL IL 38 . ? -0.607 36.255 -13.772 0.40 93.47 ? 202 GOL v C3 1 ? ? +60004 HETATM C C3 B GOL IL 38 . ? -0.584 36.261 -13.550 0.60 72.58 ? 202 GOL v C3 1 ? ? +60005 HETATM O O3 A GOL IL 38 . ? -1.404 35.505 -12.858 0.40 93.55 ? 202 GOL v O3 1 ? ? +60006 HETATM O O3 B GOL IL 38 . ? -1.430 35.426 -12.760 0.60 72.56 ? 202 GOL v O3 1 ? ? +60007 HETATM O O A HOH IM 47 . ? 27.026 -35.619 -57.276 0.40 15.79 ? 544 HOH A O 1 ? ? +60008 HETATM O O B HOH IM 47 . ? 27.174 -34.770 -56.089 0.60 20.32 ? 544 HOH A O 1 ? ? +60009 HETATM O O A HOH IM 47 . ? 28.773 -32.689 -57.423 0.40 17.22 ? 548 HOH A O 1 ? ? +60010 HETATM O O B HOH IM 47 . ? 28.643 -33.347 -56.288 0.60 22.39 ? 548 HOH A O 1 ? ? +60011 HETATM O O A HOH IM 47 . ? 25.062 -37.328 -42.396 0.40 10.17 ? 584 HOH A O 1 ? ? +60012 HETATM O O B HOH IM 47 . ? 25.105 -36.690 -40.981 0.60 18.70 ? 584 HOH A O 1 ? ? +60013 HETATM O O . HOH IM 47 . ? 10.458 -53.492 -46.749 1.00 38.73 ? 626 HOH A O 1 ? ? +60014 HETATM O O . HOH IN 47 . ? -2.222 51.151 17.053 1.00 66.49 ? 201 HOH k O 1 ? ? +60015 HETATM O O . HOH IO 47 . ? -9.931 -47.317 -14.218 1.00 31.62 ? 710 HOH B O 1 ? ? +60016 HETATM O O . HOH IO 47 . ? -14.026 -11.783 -36.863 1.00 54.73 ? 727 HOH B O 1 ? ? +60017 HETATM O O . HOH IO 47 . ? -5.231 -64.705 -10.718 1.00 73.13 ? 738 HOH B O 1 ? ? +60018 HETATM O O . HOH IO 47 . ? -31.949 -45.510 -32.023 1.00 50.68 ? 747 HOH B O 1 ? ? +60019 HETATM O O . HOH IO 47 . ? -33.378 -41.938 -37.790 1.00 57.42 ? 810 HOH B O 1 ? ? +60020 HETATM O O . HOH IP 47 . ? 54.098 -63.305 -44.335 1.00 39.26 ? 629 HOH C O 1 ? ? +60021 HETATM O O . HOH IP 47 . ? 38.247 -31.118 -87.514 1.00 60.81 ? 703 HOH C O 1 ? ? +60022 HETATM O O . HOH IP 47 . ? 72.176 -58.087 -35.046 1.00 69.30 ? 748 HOH C O 1 ? ? +60023 HETATM O O . HOH IP 47 . ? 70.643 -55.556 -34.331 1.00 67.61 ? 750 HOH C O 1 ? ? +60024 HETATM O O . HOH IP 47 . ? 37.161 -30.851 -89.711 1.00 73.09 ? 762 HOH C O 1 ? ? +60025 HETATM O O . HOH IQ 47 . ? 13.547 -11.762 -26.326 1.00 50.79 ? 208 HOH m O 1 ? ? +60026 HETATM O O . HOH IR 47 . ? -45.309 16.117 -40.329 1.00 56.06 ? 401 HOH o O 1 ? ? +60027 HETATM O O . HOH IS 47 . ? 18.525 56.442 -2.680 1.00 67.05 ? 313 HOH v O 1 ? ? +60028 HETATM O O . HOH IT 47 . ? 27.249 -74.287 -75.098 1.00 69.67 ? 201 HOH K O 1 ? ? +60029 HETATM O O . HOH IU 47 . ? 12.971 -13.874 -27.612 1.00 59.43 ? 205 HOH M O 1 ? ? +60030 HETATM O O . HOH IU 47 . ? 29.954 -32.143 -4.241 1.00 68.21 ? 207 HOH M O 1 ? ? +60031 HETATM O O . HOH IV 47 . ? 54.728 1.348 -76.236 1.00 62.53 ? 417 HOH O O 1 ? ? +60032 HETATM O O . HOH IW 47 . ? 20.084 -29.617 -96.461 1.00 52.28 ? 305 HOH V O 1 ? ? +60033 HETATM O O . HOH IW 47 . ? 31.369 -41.423 -100.409 1.00 81.60 ? 342 HOH V O 1 ? ? +60034 HETATM O O . HOH IW 47 . ? 29.276 -42.854 -103.653 1.00 103.57 ? 372 HOH V O 1 ? ? +60035 HETATM O O A HOH IX 47 . ? -6.708 17.654 -11.460 0.40 15.01 ? 539 HOH a O 1 ? ? +60036 HETATM O O B HOH IX 47 . ? -6.518 17.701 -12.878 0.60 19.29 ? 539 HOH a O 1 ? ? +60037 HETATM O O A HOH IX 47 . ? 3.544 7.888 -5.898 0.40 16.09 ? 562 HOH a O 1 ? ? +60038 HETATM O O B HOH IX 47 . ? 3.676 6.366 -5.998 0.60 24.10 ? 562 HOH a O 1 ? ? +60039 HETATM O O A HOH IX 47 . ? -4.722 20.122 -12.016 0.40 19.99 ? 568 HOH a O 1 ? ? +60040 HETATM O O B HOH IX 47 . ? -4.431 18.465 -11.546 0.60 22.26 ? 568 HOH a O 1 ? ? +60041 HETATM O O . HOH IX 47 . ? 18.691 22.305 1.560 1.00 39.68 ? 608 HOH a O 1 ? ? +60042 HETATM O O . HOH IY 47 . ? 60.221 16.265 -17.193 1.00 55.27 ? 706 HOH b O 1 ? ? +60043 HETATM O O . HOH IY 47 . ? 58.353 20.561 -22.552 1.00 59.84 ? 758 HOH b O 1 ? ? +60044 HETATM O O . HOH IY 47 . ? 47.534 -3.818 -1.916 1.00 34.97 ? 774 HOH b O 1 ? ? +60045 HETATM O O . HOH IY 47 . ? 9.742 1.086 -37.750 1.00 71.19 ? 841 HOH b O 1 ? ? +60046 HETATM O O . HOH IY 47 . ? 30.989 -3.884 -25.948 1.00 37.73 ? 869 HOH b O 1 ? ? +60047 HETATM O O . HOH IY 47 . ? 65.155 10.412 -25.700 1.00 69.66 ? 889 HOH b O 1 ? ? +60048 HETATM O O . HOH IZ 47 . ? -31.563 18.102 -14.614 1.00 55.43 ? 609 HOH c O 1 ? ? +60049 HETATM O O . HOH IZ 47 . ? -16.772 13.207 27.366 1.00 42.53 ? 626 HOH c O 1 ? ? +60050 HETATM O O . HOH IZ 47 . ? -37.402 25.206 4.583 1.00 79.62 ? 729 HOH c O 1 ? ? +60051 HETATM O O . HOH IZ 47 . ? 5.901 14.638 49.521 1.00 56.88 ? 730 HOH c O 1 ? ? +60052 HETATM O O . HOH IZ 47 . ? -7.066 37.163 15.165 1.00 46.80 ? 732 HOH c O 1 ? ? +60053 HETATM O O . HOH IZ 47 . ? -34.862 28.316 -20.394 1.00 72.38 ? 752 HOH c O 1 ? ? +# +loop_ +_pdbx_refine_tls_group.id +_pdbx_refine_tls_group.pdbx_refine_id +_pdbx_refine_tls_group.refine_tls_id +_pdbx_refine_tls_group.beg_auth_asym_id +_pdbx_refine_tls_group.beg_auth_seq_id +_pdbx_refine_tls_group.end_auth_asym_id +_pdbx_refine_tls_group.end_auth_seq_id +_pdbx_refine_tls_group.beg_label_asym_id +_pdbx_refine_tls_group.end_label_asym_id +1 'X-RAY DIFFRACTION' 1 A 1 A 344 ? ? +2 'X-RAY DIFFRACTION' 1 A 401 A 414 ? ? +3 'X-RAY DIFFRACTION' 1 A 416 A 420 ? ? +4 'X-RAY DIFFRACTION' 1 B 2 B 506 ? ? +5 'X-RAY DIFFRACTION' 1 B 601 B 625 ? ? +6 'X-RAY DIFFRACTION' 1 B 627 B 631 ? ? +7 'X-RAY DIFFRACTION' 1 C 19 C 473 ? ? +8 'X-RAY DIFFRACTION' 1 C 501 C 524 ? ? +9 'X-RAY DIFFRACTION' 1 D 11 D 352 ? ? +10 'X-RAY DIFFRACTION' 1 D 401 D 407 ? ? +11 'X-RAY DIFFRACTION' 1 D 410 D 412 ? ? +12 'X-RAY DIFFRACTION' 1 E 1 E 84 ? ? +13 'X-RAY DIFFRACTION' 1 E 101 E 101 ? ? +14 'X-RAY DIFFRACTION' 1 F 2 F 45 ? ? +15 'X-RAY DIFFRACTION' 1 F 101 F 104 ? ? +16 'X-RAY DIFFRACTION' 1 H 2 H 66 ? ? +17 'X-RAY DIFFRACTION' 1 H 101 H 102 ? ? +18 'X-RAY DIFFRACTION' 1 I 1 I 38 ? ? +19 'X-RAY DIFFRACTION' 1 J 1 J 39 ? ? +20 'X-RAY DIFFRACTION' 1 J 102 J 102 ? ? +21 'X-RAY DIFFRACTION' 1 K 10 K 46 ? ? +22 'X-RAY DIFFRACTION' 1 K 102 K 102 ? ? +23 'X-RAY DIFFRACTION' 1 L 1 L 37 ? ? +24 'X-RAY DIFFRACTION' 1 L 101 L 101 ? ? +25 'X-RAY DIFFRACTION' 1 M 1 M 36 ? ? +26 'X-RAY DIFFRACTION' 1 M 101 M 101 ? ? +27 'X-RAY DIFFRACTION' 1 O 3 O 246 ? ? +28 'X-RAY DIFFRACTION' 1 O 301 O 303 ? ? +29 'X-RAY DIFFRACTION' 1 R 2 R 35 ? ? +30 'X-RAY DIFFRACTION' 1 T 1 T 32 ? ? +31 'X-RAY DIFFRACTION' 1 T 101 T 102 ? ? +32 'X-RAY DIFFRACTION' 1 U 1 U 104 ? ? +33 'X-RAY DIFFRACTION' 1 V 1 V 137 ? ? +34 'X-RAY DIFFRACTION' 1 V 201 V 203 ? ? +35 'X-RAY DIFFRACTION' 1 X 2 X 41 ? ? +36 'X-RAY DIFFRACTION' 1 Y 17 Y 46 ? ? +37 'X-RAY DIFFRACTION' 1 Y 101 Y 101 ? ? +38 'X-RAY DIFFRACTION' 1 Z 1 Z 62 ? ? +39 'X-RAY DIFFRACTION' 1 Z 101 Z 101 ? ? +40 'X-RAY DIFFRACTION' 1 a 1 a 344 ? ? +41 'X-RAY DIFFRACTION' 1 a 401 a 412 ? ? +42 'X-RAY DIFFRACTION' 1 a 414 a 418 ? ? +43 'X-RAY DIFFRACTION' 1 b 2 b 506 ? ? +44 'X-RAY DIFFRACTION' 1 b 601 b 625 ? ? +45 'X-RAY DIFFRACTION' 1 b 627 b 629 ? ? +46 'X-RAY DIFFRACTION' 1 c 19 c 473 ? ? +47 'X-RAY DIFFRACTION' 1 c 501 c 524 ? ? +48 'X-RAY DIFFRACTION' 1 c 526 c 528 ? ? +49 'X-RAY DIFFRACTION' 1 d 11 d 352 ? ? +50 'X-RAY DIFFRACTION' 1 d 401 d 408 ? ? +51 'X-RAY DIFFRACTION' 1 d 411 d 414 ? ? +52 'X-RAY DIFFRACTION' 1 e 1 e 84 ? ? +53 'X-RAY DIFFRACTION' 1 e 101 e 101 ? ? +54 'X-RAY DIFFRACTION' 1 f 2 f 45 ? ? +55 'X-RAY DIFFRACTION' 1 f 101 f 103 ? ? +56 'X-RAY DIFFRACTION' 1 h 2 h 66 ? ? +57 'X-RAY DIFFRACTION' 1 h 101 h 102 ? ? +58 'X-RAY DIFFRACTION' 1 i 1 i 38 ? ? +59 'X-RAY DIFFRACTION' 1 j 1 j 39 ? ? +60 'X-RAY DIFFRACTION' 1 j 102 j 102 ? ? +61 'X-RAY DIFFRACTION' 1 k 10 k 46 ? ? +62 'X-RAY DIFFRACTION' 1 k 101 k 101 ? ? +63 'X-RAY DIFFRACTION' 1 l 1 l 37 ? ? +64 'X-RAY DIFFRACTION' 1 l 801 l 801 ? ? +65 'X-RAY DIFFRACTION' 1 m 1 m 36 ? ? +66 'X-RAY DIFFRACTION' 1 m 101 m 101 ? ? +67 'X-RAY DIFFRACTION' 1 m 103 m 103 ? ? +68 'X-RAY DIFFRACTION' 1 o 3 o 246 ? ? +69 'X-RAY DIFFRACTION' 1 o 301 o 302 ? ? +70 'X-RAY DIFFRACTION' 1 t 1 t 32 ? ? +71 'X-RAY DIFFRACTION' 1 t 101 t 102 ? ? +72 'X-RAY DIFFRACTION' 1 u 1 u 104 ? ? +73 'X-RAY DIFFRACTION' 1 v 1 v 137 ? ? +74 'X-RAY DIFFRACTION' 1 v 201 v 202 ? ? +75 'X-RAY DIFFRACTION' 1 x 2 x 41 ? ? +76 'X-RAY DIFFRACTION' 1 y 17 y 46 ? ? +77 'X-RAY DIFFRACTION' 1 y 101 y 101 ? ? +78 'X-RAY DIFFRACTION' 1 z 1 z 62 ? ? +79 'X-RAY DIFFRACTION' 1 z 101 z 101 ? ? +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ALA 1 11 11 ALA ALA A . n +A 1 2 ASN 2 12 12 ASN ASN A . n +A 1 3 LEU 3 13 13 LEU LEU A . n +A 1 4 TRP 4 14 14 TRP TRP A . n +A 1 5 GLU 5 15 15 GLU GLU A . n +A 1 6 ARG 6 16 16 ARG ARG A . n +A 1 7 PHE 7 17 17 PHE PHE A . n +A 1 8 CYS 8 18 18 CYS CYS A . n +A 1 9 ASN 9 19 19 ASN ASN A . n +A 1 10 TRP 10 20 20 TRP TRP A . n +A 1 11 VAL 11 21 21 VAL VAL A . n +A 1 12 THR 12 22 22 THR THR A . n +A 1 13 SER 13 23 23 SER SER A . n +A 1 14 THR 14 24 24 THR THR A . n +A 1 15 ASP 15 25 25 ASP ASP A . n +A 1 16 ASN 16 26 26 ASN ASN A . n +A 1 17 ARG 17 27 27 ARG ARG A . n +A 1 18 LEU 18 28 28 LEU LEU A . n +A 1 19 TYR 19 29 29 TYR TYR A . n +A 1 20 VAL 20 30 30 VAL VAL A . n +A 1 21 GLY 21 31 31 GLY GLY A . n +A 1 22 TRP 22 32 32 TRP TRP A . n +A 1 23 PHE 23 33 33 PHE PHE A . n +A 1 24 GLY 24 34 34 GLY GLY A . n +A 1 25 VAL 25 35 35 VAL VAL A . n +A 1 26 ILE 26 36 36 ILE ILE A . n +A 1 27 MET 27 37 37 MET MET A . n +A 1 28 ILE 28 38 38 ILE ILE A . n +A 1 29 PRO 29 39 39 PRO PRO A . n +A 1 30 THR 30 40 40 THR THR A . n +A 1 31 LEU 31 41 41 LEU LEU A . n +A 1 32 LEU 32 42 42 LEU LEU A . n +A 1 33 ALA 33 43 43 ALA ALA A . n +A 1 34 ALA 34 44 44 ALA ALA A . n +A 1 35 THR 35 45 45 THR THR A . n +A 1 36 ILE 36 46 46 ILE ILE A . n +A 1 37 CYS 37 47 47 CYS CYS A . n +A 1 38 PHE 38 48 48 PHE PHE A . n +A 1 39 VAL 39 49 49 VAL VAL A . n +A 1 40 ILE 40 50 50 ILE ILE A . n +A 1 41 ALA 41 51 51 ALA ALA A . n +A 1 42 PHE 42 52 52 PHE PHE A . n +A 1 43 ILE 43 53 53 ILE ILE A . n +A 1 44 ALA 44 54 54 ALA ALA A . n +A 1 45 ALA 45 55 55 ALA ALA A . n +A 1 46 PRO 46 56 56 PRO PRO A . n +A 1 47 PRO 47 57 57 PRO PRO A . n +A 1 48 VAL 48 58 58 VAL VAL A . n +A 1 49 ASP 49 59 59 ASP ASP A . n +A 1 50 ILE 50 60 60 ILE ILE A . n +A 1 51 ASP 51 61 61 ASP ASP A . n +A 1 52 GLY 52 62 62 GLY GLY A . n +A 1 53 ILE 53 63 63 ILE ILE A . n +A 1 54 ARG 54 64 64 ARG ARG A . n +A 1 55 GLU 55 65 65 GLU GLU A . n +A 1 56 PRO 56 66 66 PRO PRO A . n +A 1 57 VAL 57 67 67 VAL VAL A . n +A 1 58 SER 58 68 68 SER SER A . n +A 1 59 GLY 59 69 69 GLY GLY A . n +A 1 60 SER 60 70 70 SER SER A . n +A 1 61 LEU 61 71 71 LEU LEU A . n +A 1 62 LEU 62 72 72 LEU LEU A . n +A 1 63 TYR 63 73 73 TYR TYR A . n +A 1 64 GLY 64 74 74 GLY GLY A . n +A 1 65 ASN 65 75 75 ASN ASN A . n +A 1 66 ASN 66 76 76 ASN ASN A . n +A 1 67 ILE 67 77 77 ILE ILE A . n +A 1 68 ILE 68 78 78 ILE ILE A . n +A 1 69 THR 69 79 79 THR THR A . n +A 1 70 GLY 70 80 80 GLY GLY A . n +A 1 71 ALA 71 81 81 ALA ALA A . n +A 1 72 VAL 72 82 82 VAL VAL A . n +A 1 73 VAL 73 83 83 VAL VAL A . n +A 1 74 PRO 74 84 84 PRO PRO A . n +A 1 75 SER 75 85 85 SER SER A . n +A 1 76 SER 76 86 86 SER SER A . n +A 1 77 ASN 77 87 87 ASN ASN A . n +A 1 78 ALA 78 88 88 ALA ALA A . n +A 1 79 ILE 79 89 89 ILE ILE A . n +A 1 80 GLY 80 90 90 GLY GLY A . n +A 1 81 LEU 81 91 91 LEU LEU A . n +A 1 82 HIS 82 92 92 HIS HIS A . n +A 1 83 PHE 83 93 93 PHE PHE A . n +A 1 84 TYR 84 94 94 TYR TYR A . n +A 1 85 PRO 85 95 95 PRO PRO A . n +A 1 86 ILE 86 96 96 ILE ILE A . n +A 1 87 TRP 87 97 97 TRP TRP A . n +A 1 88 GLU 88 98 98 GLU GLU A . n +A 1 89 ALA 89 99 99 ALA ALA A . n +A 1 90 ALA 90 100 100 ALA ALA A . n +A 1 91 SER 91 101 101 SER SER A . n +A 1 92 LEU 92 102 102 LEU LEU A . n +A 1 93 ASP 93 103 103 ASP ASP A . n +A 1 94 GLU 94 104 104 GLU GLU A . n +A 1 95 TRP 95 105 105 TRP TRP A . n +A 1 96 LEU 96 106 106 LEU LEU A . n +A 1 97 TYR 97 107 107 TYR TYR A . n +A 1 98 ASN 98 108 108 ASN ASN A . n +A 1 99 GLY 99 109 109 GLY GLY A . n +A 1 100 GLY 100 110 110 GLY GLY A . n +A 1 101 PRO 101 111 111 PRO PRO A . n +A 1 102 TYR 102 112 112 TYR TYR A . n +A 1 103 GLN 103 113 113 GLN GLN A . n +A 1 104 LEU 104 114 114 LEU LEU A . n +A 1 105 ILE 105 115 115 ILE ILE A . n +A 1 106 ILE 106 116 116 ILE ILE A . n +A 1 107 PHE 107 117 117 PHE PHE A . n +A 1 108 HIS 108 118 118 HIS HIS A . n +A 1 109 PHE 109 119 119 PHE PHE A . n +A 1 110 LEU 110 120 120 LEU LEU A . n +A 1 111 LEU 111 121 121 LEU LEU A . n +A 1 112 GLY 112 122 122 GLY GLY A . n +A 1 113 ALA 113 123 123 ALA ALA A . n +A 1 114 SER 114 124 124 SER SER A . n +A 1 115 CYS 115 125 125 CYS CYS A . n +A 1 116 TYR 116 126 126 TYR TYR A . n +A 1 117 MET 117 127 127 MET MET A . n +A 1 118 GLY 118 128 128 GLY GLY A . n +A 1 119 ARG 119 129 129 ARG ARG A . n +A 1 120 GLN 120 130 130 GLN GLN A . n +A 1 121 TRP 121 131 131 TRP TRP A . n +A 1 122 GLU 122 132 132 GLU GLU A . n +A 1 123 LEU 123 133 133 LEU LEU A . n +A 1 124 SER 124 134 134 SER SER A . n +A 1 125 TYR 125 135 135 TYR TYR A . n +A 1 126 ARG 126 136 136 ARG ARG A . n +A 1 127 LEU 127 137 137 LEU LEU A . n +A 1 128 GLY 128 138 138 GLY GLY A . n +A 1 129 MET 129 139 139 MET MET A . n +A 1 130 ARG 130 140 140 ARG ARG A . n +A 1 131 PRO 131 141 141 PRO PRO A . n +A 1 132 TRP 132 142 142 TRP TRP A . n +A 1 133 ILE 133 143 143 ILE ILE A . n +A 1 134 CYS 134 144 144 CYS CYS A . n +A 1 135 VAL 135 145 145 VAL VAL A . n +A 1 136 ALA 136 146 146 ALA ALA A . n +A 1 137 TYR 137 147 147 TYR TYR A . n +A 1 138 SER 138 148 148 SER SER A . n +A 1 139 ALA 139 149 149 ALA ALA A . n +A 1 140 PRO 140 150 150 PRO PRO A . n +A 1 141 LEU 141 151 151 LEU LEU A . n +A 1 142 ALA 142 152 152 ALA ALA A . n +A 1 143 SER 143 153 153 SER SER A . n +A 1 144 ALA 144 154 154 ALA ALA A . n +A 1 145 PHE 145 155 155 PHE PHE A . n +A 1 146 ALA 146 156 156 ALA ALA A . n +A 1 147 VAL 147 157 157 VAL VAL A . n +A 1 148 PHE 148 158 158 PHE PHE A . n +A 1 149 LEU 149 159 159 LEU LEU A . n +A 1 150 ILE 150 160 160 ILE ILE A . n +A 1 151 TYR 151 161 161 TYR TYR A . n +A 1 152 PRO 152 162 162 PRO PRO A . n +A 1 153 ILE 153 163 163 ILE ILE A . n +A 1 154 GLY 154 164 164 GLY GLY A . n +A 1 155 GLN 155 165 165 GLN GLN A . n +A 1 156 GLY 156 166 166 GLY GLY A . n +A 1 157 SER 157 167 167 SER SER A . n +A 1 158 PHE 158 168 168 PHE PHE A . n +A 1 159 SER 159 169 169 SER SER A . n +A 1 160 ASP 160 170 170 ASP ASP A . n +A 1 161 GLY 161 171 171 GLY GLY A . n +A 1 162 MET 162 172 172 MET MET A . n +A 1 163 PRO 163 173 173 PRO PRO A . n +A 1 164 LEU 164 174 174 LEU LEU A . n +A 1 165 GLY 165 175 175 GLY GLY A . n +A 1 166 ILE 166 176 176 ILE ILE A . n +A 1 167 SER 167 177 177 SER SER A . n +A 1 168 GLY 168 178 178 GLY GLY A . n +A 1 169 THR 169 179 179 THR THR A . n +A 1 170 PHE 170 180 180 PHE PHE A . n +A 1 171 ASN 171 181 181 ASN ASN A . n +A 1 172 PHE 172 182 182 PHE PHE A . n +A 1 173 MET 173 183 183 MET MET A . n +A 1 174 ILE 174 184 184 ILE ILE A . n +A 1 175 VAL 175 185 185 VAL VAL A . n +A 1 176 PHE 176 186 186 PHE PHE A . n +A 1 177 GLN 177 187 187 GLN GLN A . n +A 1 178 ALA 178 188 188 ALA ALA A . n +A 1 179 GLU 179 189 189 GLU GLU A . n +A 1 180 HIS 180 190 190 HIS HIS A . n +A 1 181 ASN 181 191 191 ASN ASN A . n +A 1 182 ILE 182 192 192 ILE ILE A . n +A 1 183 LEU 183 193 193 LEU LEU A . n +A 1 184 MET 184 194 194 MET MET A . n +A 1 185 HIS 185 195 195 HIS HIS A . n +A 1 186 PRO 186 196 196 PRO PRO A . n +A 1 187 PHE 187 197 197 PHE PHE A . n +A 1 188 HIS 188 198 198 HIS HIS A . n +A 1 189 GLN 189 199 199 GLN GLN A . n +A 1 190 LEU 190 200 200 LEU LEU A . n +A 1 191 GLY 191 201 201 GLY GLY A . n +A 1 192 VAL 192 202 202 VAL VAL A . n +A 1 193 ALA 193 203 203 ALA ALA A . n +A 1 194 GLY 194 204 204 GLY GLY A . n +A 1 195 VAL 195 205 205 VAL VAL A . n +A 1 196 PHE 196 206 206 PHE PHE A . n +A 1 197 GLY 197 207 207 GLY GLY A . n +A 1 198 GLY 198 208 208 GLY GLY A . n +A 1 199 ALA 199 209 209 ALA ALA A . n +A 1 200 LEU 200 210 210 LEU LEU A . n +A 1 201 PHE 201 211 211 PHE PHE A . n +A 1 202 CYS 202 212 212 CYS CYS A . n +A 1 203 ALA 203 213 213 ALA ALA A . n +A 1 204 MET 204 214 214 MET MET A . n +A 1 205 HIS 205 215 215 HIS HIS A . n +A 1 206 GLY 206 216 216 GLY GLY A . n +A 1 207 SER 207 217 217 SER SER A . n +A 1 208 LEU 208 218 218 LEU LEU A . n +A 1 209 VAL 209 219 219 VAL VAL A . n +A 1 210 THR 210 220 220 THR THR A . n +A 1 211 SER 211 221 221 SER SER A . n +A 1 212 SER 212 222 222 SER SER A . n +A 1 213 LEU 213 223 223 LEU LEU A . n +A 1 214 ILE 214 224 224 ILE ILE A . n +A 1 215 ARG 215 225 225 ARG ARG A . n +A 1 216 GLU 216 226 226 GLU GLU A . n +A 1 217 THR 217 227 227 THR THR A . n +A 1 218 THR 218 228 228 THR THR A . n +A 1 219 GLU 219 229 229 GLU GLU A . n +A 1 220 THR 220 230 230 THR THR A . n +A 1 221 GLU 221 231 231 GLU GLU A . n +A 1 222 SER 222 232 232 SER SER A . n +A 1 223 ALA 223 233 233 ALA ALA A . n +A 1 224 ASN 224 234 234 ASN ASN A . n +A 1 225 TYR 225 235 235 TYR TYR A . n +A 1 226 GLY 226 236 236 GLY GLY A . n +A 1 227 TYR 227 237 237 TYR TYR A . n +A 1 228 LYS 228 238 238 LYS LYS A . n +A 1 229 PHE 229 239 239 PHE PHE A . n +A 1 230 GLY 230 240 240 GLY GLY A . n +A 1 231 GLN 231 241 241 GLN GLN A . n +A 1 232 GLU 232 242 242 GLU GLU A . n +A 1 233 GLU 233 243 243 GLU GLU A . n +A 1 234 GLU 234 244 244 GLU GLU A . n +A 1 235 THR 235 245 245 THR THR A . n +A 1 236 TYR 236 246 246 TYR TYR A . n +A 1 237 ASN 237 247 247 ASN ASN A . n +A 1 238 ILE 238 248 248 ILE ILE A . n +A 1 239 VAL 239 249 249 VAL VAL A . n +A 1 240 ALA 240 250 250 ALA ALA A . n +A 1 241 ALA 241 251 251 ALA ALA A . n +A 1 242 HIS 242 252 252 HIS HIS A . n +A 1 243 GLY 243 253 253 GLY GLY A . n +A 1 244 TYR 244 254 254 TYR TYR A . n +A 1 245 PHE 245 255 255 PHE PHE A . n +A 1 246 GLY 246 256 256 GLY GLY A . n +A 1 247 ARG 247 257 257 ARG ARG A . n +A 1 248 LEU 248 258 258 LEU LEU A . n +A 1 249 ILE 249 259 259 ILE ILE A . n +A 1 250 PHE 250 260 260 PHE PHE A . n +A 1 251 GLN 251 261 261 GLN GLN A . n +A 1 252 TYR 252 262 262 TYR TYR A . n +A 1 253 ALA 253 263 263 ALA ALA A . n +A 1 254 SER 254 264 264 SER SER A . n +A 1 255 PHE 255 265 265 PHE PHE A . n +A 1 256 ASN 256 266 266 ASN ASN A . n +A 1 257 ASN 257 267 267 ASN ASN A . n +A 1 258 SER 258 268 268 SER SER A . n +A 1 259 ARG 259 269 269 ARG ARG A . n +A 1 260 SER 260 270 270 SER SER A . n +A 1 261 LEU 261 271 271 LEU LEU A . n +A 1 262 HIS 262 272 272 HIS HIS A . n +A 1 263 PHE 263 273 273 PHE PHE A . n +A 1 264 PHE 264 274 274 PHE PHE A . n +A 1 265 LEU 265 275 275 LEU LEU A . n +A 1 266 ALA 266 276 276 ALA ALA A . n +A 1 267 ALA 267 277 277 ALA ALA A . n +A 1 268 TRP 268 278 278 TRP TRP A . n +A 1 269 PRO 269 279 279 PRO PRO A . n +A 1 270 VAL 270 280 280 VAL VAL A . n +A 1 271 VAL 271 281 281 VAL VAL A . n +A 1 272 GLY 272 282 282 GLY GLY A . n +A 1 273 VAL 273 283 283 VAL VAL A . n +A 1 274 TRP 274 284 284 TRP TRP A . n +A 1 275 PHE 275 285 285 PHE PHE A . n +A 1 276 ALA 276 286 286 ALA ALA A . n +A 1 277 ALA 277 287 287 ALA ALA A . n +A 1 278 LEU 278 288 288 LEU LEU A . n +A 1 279 GLY 279 289 289 GLY GLY A . n +A 1 280 ILE 280 290 290 ILE ILE A . n +A 1 281 SER 281 291 291 SER SER A . n +A 1 282 THR 282 292 292 THR THR A . n +A 1 283 MET 283 293 293 MET MET A . n +A 1 284 ALA 284 294 294 ALA ALA A . n +A 1 285 PHE 285 295 295 PHE PHE A . n +A 1 286 ASN 286 296 296 ASN ASN A . n +A 1 287 LEU 287 297 297 LEU LEU A . n +A 1 288 ASN 288 298 298 ASN ASN A . n +A 1 289 GLY 289 299 299 GLY GLY A . n +A 1 290 PHE 290 300 300 PHE PHE A . n +A 1 291 ASN 291 301 301 ASN ASN A . n +A 1 292 PHE 292 302 302 PHE PHE A . n +A 1 293 ASN 293 303 303 ASN ASN A . n +A 1 294 HIS 294 304 304 HIS HIS A . n +A 1 295 SER 295 305 305 SER SER A . n +A 1 296 VAL 296 306 306 VAL VAL A . n +A 1 297 ILE 297 307 307 ILE ILE A . n +A 1 298 ASP 298 308 308 ASP ASP A . n +A 1 299 ALA 299 309 309 ALA ALA A . n +A 1 300 LYS 300 310 310 LYS LYS A . n +A 1 301 GLY 301 311 311 GLY GLY A . n +A 1 302 ASN 302 312 312 ASN ASN A . n +A 1 303 VAL 303 313 313 VAL VAL A . n +A 1 304 ILE 304 314 314 ILE ILE A . n +A 1 305 ASN 305 315 315 ASN ASN A . n +A 1 306 THR 306 316 316 THR THR A . n +A 1 307 TRP 307 317 317 TRP TRP A . n +A 1 308 ALA 308 318 318 ALA ALA A . n +A 1 309 ASP 309 319 319 ASP ASP A . n +A 1 310 ILE 310 320 320 ILE ILE A . n +A 1 311 ILE 311 321 321 ILE ILE A . n +A 1 312 ASN 312 322 322 ASN ASN A . n +A 1 313 ARG 313 323 323 ARG ARG A . n +A 1 314 ALA 314 324 324 ALA ALA A . n +A 1 315 ASN 315 325 325 ASN ASN A . n +A 1 316 LEU 316 326 326 LEU LEU A . n +A 1 317 GLY 317 327 327 GLY GLY A . n +A 1 318 MET 318 328 328 MET MET A . n +A 1 319 GLU 319 329 329 GLU GLU A . n +A 1 320 VAL 320 330 330 VAL VAL A . n +A 1 321 MET 321 331 331 MET MET A . n +A 1 322 HIS 322 332 332 HIS HIS A . n +A 1 323 GLU 323 333 333 GLU GLU A . n +A 1 324 ARG 324 334 334 ARG ARG A . n +A 1 325 ASN 325 335 335 ASN ASN A . n +A 1 326 ALA 326 336 336 ALA ALA A . n +A 1 327 HIS 327 337 337 HIS HIS A . n +A 1 328 ASN 328 338 338 ASN ASN A . n +A 1 329 PHE 329 339 339 PHE PHE A . n +A 1 330 PRO 330 340 340 PRO PRO A . n +A 1 331 LEU 331 341 341 LEU LEU A . n +A 1 332 ASP 332 342 342 ASP ASP A . n +A 1 333 LEU 333 343 343 LEU LEU A . n +A 1 334 ALA 334 344 344 ALA ALA A . n +B 2 1 GLY 1 2 2 GLY GLY B . n +B 2 2 LEU 2 3 3 LEU LEU B . n +B 2 3 PRO 3 4 4 PRO PRO B . n +B 2 4 TRP 4 5 5 TRP TRP B . n +B 2 5 TYR 5 6 6 TYR TYR B . n +B 2 6 ARG 6 7 7 ARG ARG B . n +B 2 7 VAL 7 8 8 VAL VAL B . n +B 2 8 HIS 8 9 9 HIS HIS B . n +B 2 9 THR 9 10 10 THR THR B . n +B 2 10 VAL 10 11 11 VAL VAL B . n +B 2 11 LEU 11 12 12 LEU LEU B . n +B 2 12 ILE 12 13 13 ILE ILE B . n +B 2 13 ASN 13 14 14 ASN ASN B . n +B 2 14 ASP 14 15 15 ASP ASP B . n +B 2 15 PRO 15 16 16 PRO PRO B . n +B 2 16 GLY 16 17 17 GLY GLY B . n +B 2 17 ARG 17 18 18 ARG ARG B . n +B 2 18 LEU 18 19 19 LEU LEU B . n +B 2 19 ILE 19 20 20 ILE ILE B . n +B 2 20 ALA 20 21 21 ALA ALA B . n +B 2 21 ALA 21 22 22 ALA ALA B . n +B 2 22 HIS 22 23 23 HIS HIS B . n +B 2 23 LEU 23 24 24 LEU LEU B . n +B 2 24 MET 24 25 25 MET MET B . n +B 2 25 HIS 25 26 26 HIS HIS B . n +B 2 26 THR 26 27 27 THR THR B . n +B 2 27 ALA 27 28 28 ALA ALA B . n +B 2 28 LEU 28 29 29 LEU LEU B . n +B 2 29 VAL 29 30 30 VAL VAL B . n +B 2 30 ALA 30 31 31 ALA ALA B . n +B 2 31 GLY 31 32 32 GLY GLY B . n +B 2 32 TRP 32 33 33 TRP TRP B . n +B 2 33 ALA 33 34 34 ALA ALA B . n +B 2 34 GLY 34 35 35 GLY GLY B . n +B 2 35 SER 35 36 36 SER SER B . n +B 2 36 MET 36 37 37 MET MET B . n +B 2 37 ALA 37 38 38 ALA ALA B . n +B 2 38 LEU 38 39 39 LEU LEU B . n +B 2 39 TYR 39 40 40 TYR TYR B . n +B 2 40 GLU 40 41 41 GLU GLU B . n +B 2 41 LEU 41 42 42 LEU LEU B . n +B 2 42 ALA 42 43 43 ALA ALA B . n +B 2 43 THR 43 44 44 THR THR B . n +B 2 44 PHE 44 45 45 PHE PHE B . n +B 2 45 ASP 45 46 46 ASP ASP B . n +B 2 46 PRO 46 47 47 PRO PRO B . n +B 2 47 SER 47 48 48 SER SER B . n +B 2 48 ASP 48 49 49 ASP ASP B . n +B 2 49 PRO 49 50 50 PRO PRO B . n +B 2 50 VAL 50 51 51 VAL VAL B . n +B 2 51 LEU 51 52 52 LEU LEU B . n +B 2 52 ASN 52 53 53 ASN ASN B . n +B 2 53 PRO 53 54 54 PRO PRO B . n +B 2 54 MET 54 55 55 MET MET B . n +B 2 55 TRP 55 56 56 TRP TRP B . n +B 2 56 ARG 56 57 57 ARG ARG B . n +B 2 57 GLN 57 58 58 GLN GLN B . n +B 2 58 GLY 58 59 59 GLY GLY B . n +B 2 59 MET 59 60 60 MET MET B . n +B 2 60 PHE 60 61 61 PHE PHE B . n +B 2 61 VAL 61 62 62 VAL VAL B . n +B 2 62 LEU 62 63 63 LEU LEU B . n +B 2 63 PRO 63 64 64 PRO PRO B . n +B 2 64 PHE 64 65 65 PHE PHE B . n +B 2 65 MET 65 66 66 MET MET B . n +B 2 66 ALA 66 67 67 ALA ALA B . n +B 2 67 ARG 67 68 68 ARG ARG B . n +B 2 68 LEU 68 69 69 LEU LEU B . n +B 2 69 GLY 69 70 70 GLY GLY B . n +B 2 70 VAL 70 71 71 VAL VAL B . n +B 2 71 THR 71 72 72 THR THR B . n +B 2 72 GLY 72 73 73 GLY GLY B . n +B 2 73 SER 73 74 74 SER SER B . n +B 2 74 TRP 74 75 75 TRP TRP B . n +B 2 75 SER 75 76 76 SER SER B . n +B 2 76 GLY 76 77 77 GLY GLY B . n +B 2 77 TRP 77 78 78 TRP TRP B . n +B 2 78 SER 78 79 79 SER SER B . n +B 2 79 ILE 79 80 80 ILE ILE B . n +B 2 80 THR 80 81 81 THR THR B . n +B 2 81 GLY 81 82 82 GLY GLY B . n +B 2 82 GLU 82 83 83 GLU GLU B . n +B 2 83 THR 83 84 84 THR THR B . n +B 2 84 GLY 84 85 85 GLY GLY B . n +B 2 85 ILE 85 86 86 ILE ILE B . n +B 2 86 ASP 86 87 87 ASP ASP B . n +B 2 87 PRO 87 88 88 PRO PRO B . n +B 2 88 GLY 88 89 89 GLY GLY B . n +B 2 89 PHE 89 90 90 PHE PHE B . n +B 2 90 TRP 90 91 91 TRP TRP B . n +B 2 91 SER 91 92 92 SER SER B . n +B 2 92 PHE 92 93 93 PHE PHE B . n +B 2 93 GLU 93 94 94 GLU GLU B . n +B 2 94 GLY 94 95 95 GLY GLY B . n +B 2 95 VAL 95 96 96 VAL VAL B . n +B 2 96 ALA 96 97 97 ALA ALA B . n +B 2 97 LEU 97 98 98 LEU LEU B . n +B 2 98 ALA 98 99 99 ALA ALA B . n +B 2 99 HIS 99 100 100 HIS HIS B . n +B 2 100 ILE 100 101 101 ILE ILE B . n +B 2 101 VAL 101 102 102 VAL VAL B . n +B 2 102 LEU 102 103 103 LEU LEU B . n +B 2 103 SER 103 104 104 SER SER B . n +B 2 104 GLY 104 105 105 GLY GLY B . n +B 2 105 LEU 105 106 106 LEU LEU B . n +B 2 106 LEU 106 107 107 LEU LEU B . n +B 2 107 PHE 107 108 108 PHE PHE B . n +B 2 108 LEU 108 109 109 LEU LEU B . n +B 2 109 ALA 109 110 110 ALA ALA B . n +B 2 110 ALA 110 111 111 ALA ALA B . n +B 2 111 CYS 111 112 112 CYS CYS B . n +B 2 112 TRP 112 113 113 TRP TRP B . n +B 2 113 HIS 113 114 114 HIS HIS B . n +B 2 114 TRP 114 115 115 TRP TRP B . n +B 2 115 VAL 115 116 116 VAL VAL B . n +B 2 116 TYR 116 117 117 TYR TYR B . n +B 2 117 TRP 117 118 118 TRP TRP B . n +B 2 118 ASP 118 119 119 ASP ASP B . n +B 2 119 LEU 119 120 120 LEU LEU B . n +B 2 120 GLU 120 121 121 GLU GLU B . n +B 2 121 LEU 121 122 122 LEU LEU B . n +B 2 122 PHE 122 123 123 PHE PHE B . n +B 2 123 ARG 123 124 124 ARG ARG B . n +B 2 124 ASP 124 125 125 ASP ASP B . n +B 2 125 PRO 125 126 126 PRO PRO B . n +B 2 126 ARG 126 127 127 ARG ARG B . n +B 2 127 THR 127 128 128 THR THR B . n +B 2 128 GLY 128 129 129 GLY GLY B . n +B 2 129 GLU 129 130 130 GLU GLU B . n +B 2 130 PRO 130 131 131 PRO PRO B . n +B 2 131 ALA 131 132 132 ALA ALA B . n +B 2 132 LEU 132 133 133 LEU LEU B . n +B 2 133 ASP 133 134 134 ASP ASP B . n +B 2 134 LEU 134 135 135 LEU LEU B . n +B 2 135 PRO 135 136 136 PRO PRO B . n +B 2 136 LYS 136 137 137 LYS LYS B . n +B 2 137 MET 137 138 138 MET MET B . n +B 2 138 PHE 138 139 139 PHE PHE B . n +B 2 139 GLY 139 140 140 GLY GLY B . n +B 2 140 ILE 140 141 141 ILE ILE B . n +B 2 141 HIS 141 142 142 HIS HIS B . n +B 2 142 LEU 142 143 143 LEU LEU B . n +B 2 143 PHE 143 144 144 PHE PHE B . n +B 2 144 LEU 144 145 145 LEU LEU B . n +B 2 145 ALA 145 146 146 ALA ALA B . n +B 2 146 GLY 146 147 147 GLY GLY B . n +B 2 147 LEU 147 148 148 LEU LEU B . n +B 2 148 LEU 148 149 149 LEU LEU B . n +B 2 149 CYS 149 150 150 CYS CYS B . n +B 2 150 PHE 150 151 151 PHE PHE B . n +B 2 151 GLY 151 152 152 GLY GLY B . n +B 2 152 PHE 152 153 153 PHE PHE B . n +B 2 153 GLY 153 154 154 GLY GLY B . n +B 2 154 ALA 154 155 155 ALA ALA B . n +B 2 155 PHE 155 156 156 PHE PHE B . n +B 2 156 HIS 156 157 157 HIS HIS B . n +B 2 157 LEU 157 158 158 LEU LEU B . n +B 2 158 THR 158 159 159 THR THR B . n +B 2 159 GLY 159 160 160 GLY GLY B . n +B 2 160 LEU 160 161 161 LEU LEU B . n +B 2 161 PHE 161 162 162 PHE PHE B . n +B 2 162 GLY 162 163 163 GLY GLY B . n +B 2 163 PRO 163 164 164 PRO PRO B . n +B 2 164 GLY 164 165 165 GLY GLY B . n +B 2 165 MET 165 166 166 MET MET B . n +B 2 166 TRP 166 167 167 TRP TRP B . n +B 2 167 VAL 167 168 168 VAL VAL B . n +B 2 168 SER 168 169 169 SER SER B . n +B 2 169 ASP 169 170 170 ASP ASP B . n +B 2 170 PRO 170 171 171 PRO PRO B . n +B 2 171 TYR 171 172 172 TYR TYR B . n +B 2 172 GLY 172 173 173 GLY GLY B . n +B 2 173 LEU 173 174 174 LEU LEU B . n +B 2 174 THR 174 175 175 THR THR B . n +B 2 175 GLY 175 176 176 GLY GLY B . n +B 2 176 SER 176 177 177 SER SER B . n +B 2 177 VAL 177 178 178 VAL VAL B . n +B 2 178 GLN 178 179 179 GLN GLN B . n +B 2 179 PRO 179 180 180 PRO PRO B . n +B 2 180 VAL 180 181 181 VAL VAL B . n +B 2 181 ALA 181 182 182 ALA ALA B . n +B 2 182 PRO 182 183 183 PRO PRO B . n +B 2 183 GLU 183 184 184 GLU GLU B . n +B 2 184 TRP 184 185 185 TRP TRP B . n +B 2 185 GLY 185 186 186 GLY GLY B . n +B 2 186 PRO 186 187 187 PRO PRO B . n +B 2 187 ASP 187 188 188 ASP ASP B . n +B 2 188 GLY 188 189 189 GLY GLY B . n +B 2 189 PHE 189 190 190 PHE PHE B . n +B 2 190 ASN 190 191 191 ASN ASN B . n +B 2 191 PRO 191 192 192 PRO PRO B . n +B 2 192 TYR 192 193 193 TYR TYR B . n +B 2 193 ASN 193 194 194 ASN ASN B . n +B 2 194 PRO 194 195 195 PRO PRO B . n +B 2 195 GLY 195 196 196 GLY GLY B . n +B 2 196 GLY 196 197 197 GLY GLY B . n +B 2 197 VAL 197 198 198 VAL VAL B . n +B 2 198 VAL 198 199 199 VAL VAL B . n +B 2 199 ALA 199 200 200 ALA ALA B . n +B 2 200 HIS 200 201 201 HIS HIS B . n +B 2 201 HIS 201 202 202 HIS HIS B . n +B 2 202 ILE 202 203 203 ILE ILE B . n +B 2 203 ALA 203 204 204 ALA ALA B . n +B 2 204 ALA 204 205 205 ALA ALA B . n +B 2 205 GLY 205 206 206 GLY GLY B . n +B 2 206 ILE 206 207 207 ILE ILE B . n +B 2 207 VAL 207 208 208 VAL VAL B . n +B 2 208 GLY 208 209 209 GLY GLY B . n +B 2 209 ILE 209 210 210 ILE ILE B . n +B 2 210 ILE 210 211 211 ILE ILE B . n +B 2 211 ALA 211 212 212 ALA ALA B . n +B 2 212 GLY 212 213 213 GLY GLY B . n +B 2 213 LEU 213 214 214 LEU LEU B . n +B 2 214 PHE 214 215 215 PHE PHE B . n +B 2 215 HIS 215 216 216 HIS HIS B . n +B 2 216 ILE 216 217 217 ILE ILE B . n +B 2 217 LEU 217 218 218 LEU LEU B . n +B 2 218 VAL 218 219 219 VAL VAL B . n +B 2 219 ARG 219 220 220 ARG ARG B . n +B 2 220 PRO 220 221 221 PRO PRO B . n +B 2 221 PRO 221 222 222 PRO PRO B . n +B 2 222 GLN 222 223 223 GLN GLN B . n +B 2 223 ARG 223 224 224 ARG ARG B . n +B 2 224 LEU 224 225 225 LEU LEU B . n +B 2 225 TYR 225 226 226 TYR TYR B . n +B 2 226 LYS 226 227 227 LYS LYS B . n +B 2 227 ALA 227 228 228 ALA ALA B . n +B 2 228 LEU 228 229 229 LEU LEU B . n +B 2 229 ARG 229 230 230 ARG ARG B . n +B 2 230 MET 230 231 231 MET MET B . n +B 2 231 GLY 231 232 232 GLY GLY B . n +B 2 232 ASN 232 233 233 ASN ASN B . n +B 2 233 ILE 233 234 234 ILE ILE B . n +B 2 234 GLU 234 235 235 GLU GLU B . n +B 2 235 THR 235 236 236 THR THR B . n +B 2 236 VAL 236 237 237 VAL VAL B . n +B 2 237 LEU 237 238 238 LEU LEU B . n +B 2 238 SER 238 239 239 SER SER B . n +B 2 239 SER 239 240 240 SER SER B . n +B 2 240 SER 240 241 241 SER SER B . n +B 2 241 ILE 241 242 242 ILE ILE B . n +B 2 242 ALA 242 243 243 ALA ALA B . n +B 2 243 ALA 243 244 244 ALA ALA B . n +B 2 244 VAL 244 245 245 VAL VAL B . n +B 2 245 PHE 245 246 246 PHE PHE B . n +B 2 246 PHE 246 247 247 PHE PHE B . n +B 2 247 ALA 247 248 248 ALA ALA B . n +B 2 248 ALA 248 249 249 ALA ALA B . n +B 2 249 PHE 249 250 250 PHE PHE B . n +B 2 250 VAL 250 251 251 VAL VAL B . n +B 2 251 VAL 251 252 252 VAL VAL B . n +B 2 252 ALA 252 253 253 ALA ALA B . n +B 2 253 GLY 253 254 254 GLY GLY B . n +B 2 254 THR 254 255 255 THR THR B . n +B 2 255 MET 255 256 256 MET MET B . n +B 2 256 TRP 256 257 257 TRP TRP B . n +B 2 257 TYR 257 258 258 TYR TYR B . n +B 2 258 GLY 258 259 259 GLY GLY B . n +B 2 259 SER 259 260 260 SER SER B . n +B 2 260 ALA 260 261 261 ALA ALA B . n +B 2 261 THR 261 262 262 THR THR B . n +B 2 262 THR 262 263 263 THR THR B . n +B 2 263 PRO 263 264 264 PRO PRO B . n +B 2 264 ILE 264 265 265 ILE ILE B . n +B 2 265 GLU 265 266 266 GLU GLU B . n +B 2 266 LEU 266 267 267 LEU LEU B . n +B 2 267 PHE 267 268 268 PHE PHE B . n +B 2 268 GLY 268 269 269 GLY GLY B . n +B 2 269 PRO 269 270 270 PRO PRO B . n +B 2 270 THR 270 271 271 THR THR B . n +B 2 271 ARG 271 272 272 ARG ARG B . n +B 2 272 TYR 272 273 273 TYR TYR B . n +B 2 273 GLN 273 274 274 GLN GLN B . n +B 2 274 TRP 274 275 275 TRP TRP B . n +B 2 275 ASP 275 276 276 ASP ASP B . n +B 2 276 SER 276 277 277 SER SER B . n +B 2 277 SER 277 278 278 SER SER B . n +B 2 278 TYR 278 279 279 TYR TYR B . n +B 2 279 PHE 279 280 280 PHE PHE B . n +B 2 280 GLN 280 281 281 GLN GLN B . n +B 2 281 GLN 281 282 282 GLN GLN B . n +B 2 282 GLU 282 283 283 GLU GLU B . n +B 2 283 ILE 283 284 284 ILE ILE B . n +B 2 284 ASN 284 285 285 ASN ASN B . n +B 2 285 ARG 285 286 286 ARG ARG B . n +B 2 286 ARG 286 287 287 ARG ARG B . n +B 2 287 VAL 287 288 288 VAL VAL B . n +B 2 288 GLN 288 289 289 GLN GLN B . n +B 2 289 ALA 289 290 290 ALA ALA B . n +B 2 290 SER 290 291 291 SER SER B . n +B 2 291 LEU 291 292 292 LEU LEU B . n +B 2 292 ALA 292 293 293 ALA ALA B . n +B 2 293 SER 293 294 294 SER SER B . n +B 2 294 GLY 294 295 295 GLY GLY B . n +B 2 295 ALA 295 296 296 ALA ALA B . n +B 2 296 THR 296 297 297 THR THR B . n +B 2 297 LEU 297 298 298 LEU LEU B . n +B 2 298 GLU 298 299 299 GLU GLU B . n +B 2 299 GLU 299 300 300 GLU GLU B . n +B 2 300 ALA 300 301 301 ALA ALA B . n +B 2 301 TRP 301 302 302 TRP TRP B . n +B 2 302 SER 302 303 303 SER SER B . n +B 2 303 ALA 303 304 304 ALA ALA B . n +B 2 304 ILE 304 305 305 ILE ILE B . n +B 2 305 PRO 305 306 306 PRO PRO B . n +B 2 306 GLU 306 307 307 GLU GLU B . n +B 2 307 LYS 307 308 308 LYS LYS B . n +B 2 308 LEU 308 309 309 LEU LEU B . n +B 2 309 ALA 309 310 310 ALA ALA B . n +B 2 310 PHE 310 311 311 PHE PHE B . n +B 2 311 TYR 311 312 312 TYR TYR B . n +B 2 312 ASP 312 313 313 ASP ASP B . n +B 2 313 TYR 313 314 314 TYR TYR B . n +B 2 314 ILE 314 315 315 ILE ILE B . n +B 2 315 GLY 315 316 316 GLY GLY B . n +B 2 316 ASN 316 317 317 ASN ASN B . n +B 2 317 ASN 317 318 318 ASN ASN B . n +B 2 318 PRO 318 319 319 PRO PRO B . n +B 2 319 ALA 319 320 320 ALA ALA B . n +B 2 320 LYS 320 321 321 LYS LYS B . n +B 2 321 GLY 321 322 322 GLY GLY B . n +B 2 322 GLY 322 323 323 GLY GLY B . n +B 2 323 LEU 323 324 324 LEU LEU B . n +B 2 324 PHE 324 325 325 PHE PHE B . n +B 2 325 ARG 325 326 326 ARG ARG B . n +B 2 326 THR 326 327 327 THR THR B . n +B 2 327 GLY 327 328 328 GLY GLY B . n +B 2 328 PRO 328 329 329 PRO PRO B . n +B 2 329 MET 329 330 330 MET MET B . n +B 2 330 ASN 330 331 331 ASN ASN B . n +B 2 331 LYS 331 332 332 LYS LYS B . n +B 2 332 GLY 332 333 333 GLY GLY B . n +B 2 333 ASP 333 334 334 ASP ASP B . n +B 2 334 GLY 334 335 335 GLY GLY B . n +B 2 335 ILE 335 336 336 ILE ILE B . n +B 2 336 ALA 336 337 337 ALA ALA B . n +B 2 337 GLN 337 338 338 GLN GLN B . n +B 2 338 ALA 338 339 339 ALA ALA B . n +B 2 339 TRP 339 340 340 TRP TRP B . n +B 2 340 LYS 340 341 341 LYS LYS B . n +B 2 341 GLY 341 342 342 GLY GLY B . n +B 2 342 HIS 342 343 343 HIS HIS B . n +B 2 343 ALA 343 344 344 ALA ALA B . n +B 2 344 VAL 344 345 345 VAL VAL B . n +B 2 345 PHE 345 346 346 PHE PHE B . n +B 2 346 ARG 346 347 347 ARG ARG B . n +B 2 347 ASN 347 348 348 ASN ASN B . n +B 2 348 LYS 348 349 349 LYS LYS B . n +B 2 349 GLU 349 350 350 GLU GLU B . n +B 2 350 GLY 350 351 351 GLY GLY B . n +B 2 351 GLU 351 352 352 GLU GLU B . n +B 2 352 GLU 352 353 353 GLU GLU B . n +B 2 353 LEU 353 354 354 LEU LEU B . n +B 2 354 PHE 354 355 355 PHE PHE B . n +B 2 355 VAL 355 356 356 VAL VAL B . n +B 2 356 ARG 356 357 357 ARG ARG B . n +B 2 357 ARG 357 358 358 ARG ARG B . n +B 2 358 MET 358 359 359 MET MET B . n +B 2 359 PRO 359 360 360 PRO PRO B . n +B 2 360 ALA 360 361 361 ALA ALA B . n +B 2 361 PHE 361 362 362 PHE PHE B . n +B 2 362 PHE 362 363 363 PHE PHE B . n +B 2 363 GLU 363 364 364 GLU GLU B . n +B 2 364 SER 364 365 365 SER SER B . n +B 2 365 PHE 365 366 366 PHE PHE B . n +B 2 366 PRO 366 367 367 PRO PRO B . n +B 2 367 VAL 367 368 368 VAL VAL B . n +B 2 368 ILE 368 369 369 ILE ILE B . n +B 2 369 LEU 369 370 370 LEU LEU B . n +B 2 370 THR 370 371 371 THR THR B . n +B 2 371 ASP 371 372 372 ASP ASP B . n +B 2 372 LYS 372 373 373 LYS LYS B . n +B 2 373 ASN 373 374 374 ASN ASN B . n +B 2 374 GLY 374 375 375 GLY GLY B . n +B 2 375 VAL 375 376 376 VAL VAL B . n +B 2 376 VAL 376 377 377 VAL VAL B . n +B 2 377 LYS 377 378 378 LYS LYS B . n +B 2 378 ALA 378 379 379 ALA ALA B . n +B 2 379 ASP 379 380 380 ASP ASP B . n +B 2 380 ILE 380 381 381 ILE ILE B . n +B 2 381 PRO 381 382 382 PRO PRO B . n +B 2 382 PHE 382 383 383 PHE PHE B . n +B 2 383 ARG 383 384 384 ARG ARG B . n +B 2 384 ARG 384 385 385 ARG ARG B . n +B 2 385 ALA 385 386 386 ALA ALA B . n +B 2 386 GLU 386 387 387 GLU GLU B . n +B 2 387 SER 387 388 388 SER SER B . n +B 2 388 LYS 388 389 389 LYS LYS B . n +B 2 389 TYR 389 390 390 TYR TYR B . n +B 2 390 SER 390 391 391 SER SER B . n +B 2 391 PHE 391 392 392 PHE PHE B . n +B 2 392 GLU 392 393 393 GLU GLU B . n +B 2 393 GLN 393 394 394 GLN GLN B . n +B 2 394 GLN 394 395 395 GLN GLN B . n +B 2 395 GLY 395 396 396 GLY GLY B . n +B 2 396 VAL 396 397 397 VAL VAL B . n +B 2 397 THR 397 398 398 THR THR B . n +B 2 398 VAL 398 399 399 VAL VAL B . n +B 2 399 SER 399 400 400 SER SER B . n +B 2 400 PHE 400 401 401 PHE PHE B . n +B 2 401 TYR 401 402 402 TYR TYR B . n +B 2 402 GLY 402 403 403 GLY GLY B . n +B 2 403 GLY 403 404 404 GLY GLY B . n +B 2 404 GLU 404 405 405 GLU GLU B . n +B 2 405 LEU 405 406 406 LEU LEU B . n +B 2 406 ASN 406 407 407 ASN ASN B . n +B 2 407 GLY 407 408 408 GLY GLY B . n +B 2 408 GLN 408 409 409 GLN GLN B . n +B 2 409 THR 409 410 410 THR THR B . n +B 2 410 PHE 410 411 411 PHE PHE B . n +B 2 411 THR 411 412 412 THR THR B . n +B 2 412 ASP 412 413 413 ASP ASP B . n +B 2 413 PRO 413 414 414 PRO PRO B . n +B 2 414 PRO 414 415 415 PRO PRO B . n +B 2 415 THR 415 416 416 THR THR B . n +B 2 416 VAL 416 417 417 VAL VAL B . n +B 2 417 LYS 417 418 418 LYS LYS B . n +B 2 418 SER 418 419 419 SER SER B . n +B 2 419 TYR 419 420 420 TYR TYR B . n +B 2 420 ALA 420 421 421 ALA ALA B . n +B 2 421 ARG 421 422 422 ARG ARG B . n +B 2 422 LYS 422 423 423 LYS LYS B . n +B 2 423 ALA 423 424 424 ALA ALA B . n +B 2 424 ILE 424 425 425 ILE ILE B . n +B 2 425 PHE 425 426 426 PHE PHE B . n +B 2 426 GLY 426 427 427 GLY GLY B . n +B 2 427 GLU 427 428 428 GLU GLU B . n +B 2 428 ILE 428 429 429 ILE ILE B . n +B 2 429 PHE 429 430 430 PHE PHE B . n +B 2 430 GLU 430 431 431 GLU GLU B . n +B 2 431 PHE 431 432 432 PHE PHE B . n +B 2 432 ASP 432 433 433 ASP ASP B . n +B 2 433 THR 433 434 434 THR THR B . n +B 2 434 GLU 434 435 435 GLU GLU B . n +B 2 435 THR 435 436 436 THR THR B . n +B 2 436 LEU 436 437 437 LEU LEU B . n +B 2 437 ASN 437 438 438 ASN ASN B . n +B 2 438 SER 438 439 439 SER SER B . n +B 2 439 ASP 439 440 440 ASP ASP B . n +B 2 440 GLY 440 441 441 GLY GLY B . n +B 2 441 ILE 441 442 442 ILE ILE B . n +B 2 442 PHE 442 443 443 PHE PHE B . n +B 2 443 ARG 443 444 444 ARG ARG B . n +B 2 444 THR 444 445 445 THR THR B . n +B 2 445 SER 445 446 446 SER SER B . n +B 2 446 PRO 446 447 447 PRO PRO B . n +B 2 447 ARG 447 448 448 ARG ARG B . n +B 2 448 GLY 448 449 449 GLY GLY B . n +B 2 449 TRP 449 450 450 TRP TRP B . n +B 2 450 PHE 450 451 451 PHE PHE B . n +B 2 451 THR 451 452 452 THR THR B . n +B 2 452 PHE 452 453 453 PHE PHE B . n +B 2 453 ALA 453 454 454 ALA ALA B . n +B 2 454 HIS 454 455 455 HIS HIS B . n +B 2 455 ALA 455 456 456 ALA ALA B . n +B 2 456 VAL 456 457 457 VAL VAL B . n +B 2 457 PHE 457 458 458 PHE PHE B . n +B 2 458 ALA 458 459 459 ALA ALA B . n +B 2 459 LEU 459 460 460 LEU LEU B . n +B 2 460 LEU 460 461 461 LEU LEU B . n +B 2 461 PHE 461 462 462 PHE PHE B . n +B 2 462 PHE 462 463 463 PHE PHE B . n +B 2 463 PHE 463 464 464 PHE PHE B . n +B 2 464 GLY 464 465 465 GLY GLY B . n +B 2 465 HIS 465 466 466 HIS HIS B . n +B 2 466 ILE 466 467 467 ILE ILE B . n +B 2 467 TRP 467 468 468 TRP TRP B . n +B 2 468 HIS 468 469 469 HIS HIS B . n +B 2 469 GLY 469 470 470 GLY GLY B . n +B 2 470 ALA 470 471 471 ALA ALA B . n +B 2 471 ARG 471 472 472 ARG ARG B . n +B 2 472 THR 472 473 473 THR THR B . n +B 2 473 LEU 473 474 474 LEU LEU B . n +B 2 474 PHE 474 475 475 PHE PHE B . n +B 2 475 ARG 475 476 476 ARG ARG B . n +B 2 476 ASP 476 477 477 ASP ASP B . n +B 2 477 VAL 477 478 478 VAL VAL B . n +B 2 478 PHE 478 479 479 PHE PHE B . n +B 2 479 SER 479 480 480 SER SER B . n +B 2 480 GLY 480 481 481 GLY GLY B . n +B 2 481 ILE 481 482 482 ILE ILE B . n +B 2 482 ASP 482 483 483 ASP ASP B . n +B 2 483 PRO 483 484 484 PRO PRO B . n +B 2 484 GLU 484 485 485 GLU GLU B . n +B 2 485 LEU 485 486 486 LEU LEU B . n +B 2 486 SER 486 487 487 SER SER B . n +B 2 487 PRO 487 488 488 PRO PRO B . n +B 2 488 GLU 488 489 489 GLU GLU B . n +B 2 489 GLN 489 490 490 GLN GLN B . n +B 2 490 VAL 490 491 491 VAL VAL B . n +B 2 491 GLU 491 492 492 GLU GLU B . n +B 2 492 TRP 492 493 493 TRP TRP B . n +B 2 493 GLY 493 494 494 GLY GLY B . n +B 2 494 PHE 494 495 495 PHE PHE B . n +B 2 495 TYR 495 496 496 TYR TYR B . n +B 2 496 GLN 496 497 497 GLN GLN B . n +B 2 497 LYS 497 498 498 LYS LYS B . n +B 2 498 VAL 498 499 499 VAL VAL B . n +B 2 499 GLY 499 500 500 GLY GLY B . n +B 2 500 ASP 500 501 501 ASP ASP B . n +B 2 501 VAL 501 502 502 VAL VAL B . n +B 2 502 THR 502 503 503 THR THR B . n +B 2 503 THR 503 504 504 THR THR B . n +B 2 504 ARG 504 505 505 ARG ARG B . n +C 3 1 ALA 1 23 23 ALA ALA C . n +C 3 2 THR 2 24 24 THR THR C . n +C 3 3 ASN 3 25 25 ASN ASN C . n +C 3 4 ARG 4 26 26 ARG ARG C . n +C 3 5 ASP 5 27 27 ASP ASP C . n +C 3 6 GLN 6 28 28 GLN GLN C . n +C 3 7 GLU 7 29 29 GLU GLU C . n +C 3 8 SER 8 30 30 SER SER C . n +C 3 9 SER 9 31 31 SER SER C . n +C 3 10 GLY 10 32 32 GLY GLY C . n +C 3 11 PHE 11 33 33 PHE PHE C . n +C 3 12 ALA 12 34 34 ALA ALA C . n +C 3 13 TRP 13 35 35 TRP TRP C . n +C 3 14 TRP 14 36 36 TRP TRP C . n +C 3 15 ALA 15 37 37 ALA ALA C . n +C 3 16 GLY 16 38 38 GLY GLY C . n +C 3 17 ASN 17 39 39 ASN ASN C . n +C 3 18 ALA 18 40 40 ALA ALA C . n +C 3 19 ARG 19 41 41 ARG ARG C . n +C 3 20 LEU 20 42 42 LEU LEU C . n +C 3 21 ILE 21 43 43 ILE ILE C . n +C 3 22 ASN 22 44 44 ASN ASN C . n +C 3 23 LEU 23 45 45 LEU LEU C . n +C 3 24 SER 24 46 46 SER SER C . n +C 3 25 GLY 25 47 47 GLY GLY C . n +C 3 26 LYS 26 48 48 LYS LYS C . n +C 3 27 LEU 27 49 49 LEU LEU C . n +C 3 28 LEU 28 50 50 LEU LEU C . n +C 3 29 GLY 29 51 51 GLY GLY C . n +C 3 30 ALA 30 52 52 ALA ALA C . n +C 3 31 HIS 31 53 53 HIS HIS C . n +C 3 32 VAL 32 54 54 VAL VAL C . n +C 3 33 ALA 33 55 55 ALA ALA C . n +C 3 34 HIS 34 56 56 HIS HIS C . n +C 3 35 ALA 35 57 57 ALA ALA C . n +C 3 36 GLY 36 58 58 GLY GLY C . n +C 3 37 LEU 37 59 59 LEU LEU C . n +C 3 38 ILE 38 60 60 ILE ILE C . n +C 3 39 VAL 39 61 61 VAL VAL C . n +C 3 40 PHE 40 62 62 PHE PHE C . n +C 3 41 TRP 41 63 63 TRP TRP C . n +C 3 42 ALA 42 64 64 ALA ALA C . n +C 3 43 GLY 43 65 65 GLY GLY C . n +C 3 44 ALA 44 66 66 ALA ALA C . n +C 3 45 MET 45 67 67 MET MET C . n +C 3 46 THR 46 68 68 THR THR C . n +C 3 47 LEU 47 69 69 LEU LEU C . n +C 3 48 PHE 48 70 70 PHE PHE C . n +C 3 49 GLU 49 71 71 GLU GLU C . n +C 3 50 LEU 50 72 72 LEU LEU C . n +C 3 51 ALA 51 73 73 ALA ALA C . n +C 3 52 HIS 52 74 74 HIS HIS C . n +C 3 53 PHE 53 75 75 PHE PHE C . n +C 3 54 ILE 54 76 76 ILE ILE C . n +C 3 55 PRO 55 77 77 PRO PRO C . n +C 3 56 GLU 56 78 78 GLU GLU C . n +C 3 57 LYS 57 79 79 LYS LYS C . n +C 3 58 PRO 58 80 80 PRO PRO C . n +C 3 59 MET 59 81 81 MET MET C . n +C 3 60 TYR 60 82 82 TYR TYR C . n +C 3 61 GLU 61 83 83 GLU GLU C . n +C 3 62 GLN 62 84 84 GLN GLN C . n +C 3 63 GLY 63 85 85 GLY GLY C . n +C 3 64 LEU 64 86 86 LEU LEU C . n +C 3 65 ILE 65 87 87 ILE ILE C . n +C 3 66 LEU 66 88 88 LEU LEU C . n +C 3 67 ILE 67 89 89 ILE ILE C . n +C 3 68 PRO 68 90 90 PRO PRO C . n +C 3 69 HIS 69 91 91 HIS HIS C . n +C 3 70 ILE 70 92 92 ILE ILE C . n +C 3 71 ALA 71 93 93 ALA ALA C . n +C 3 72 THR 72 94 94 THR THR C . n +C 3 73 LEU 73 95 95 LEU LEU C . n +C 3 74 GLY 74 96 96 GLY GLY C . n +C 3 75 TRP 75 97 97 TRP TRP C . n +C 3 76 GLY 76 98 98 GLY GLY C . n +C 3 77 VAL 77 99 99 VAL VAL C . n +C 3 78 GLY 78 100 100 GLY GLY C . n +C 3 79 PRO 79 101 101 PRO PRO C . n +C 3 80 GLY 80 102 102 GLY GLY C . n +C 3 81 GLY 81 103 103 GLY GLY C . n +C 3 82 GLU 82 104 104 GLU GLU C . n +C 3 83 VAL 83 105 105 VAL VAL C . n +C 3 84 VAL 84 106 106 VAL VAL C . n +C 3 85 ASP 85 107 107 ASP ASP C . n +C 3 86 THR 86 108 108 THR THR C . n +C 3 87 PHE 87 109 109 PHE PHE C . n +C 3 88 PRO 88 110 110 PRO PRO C . n +C 3 89 PHE 89 111 111 PHE PHE C . n +C 3 90 PHE 90 112 112 PHE PHE C . n +C 3 91 VAL 91 113 113 VAL VAL C . n +C 3 92 VAL 92 114 114 VAL VAL C . n +C 3 93 GLY 93 115 115 GLY GLY C . n +C 3 94 VAL 94 116 116 VAL VAL C . n +C 3 95 VAL 95 117 117 VAL VAL C . n +C 3 96 HIS 96 118 118 HIS HIS C . n +C 3 97 LEU 97 119 119 LEU LEU C . n +C 3 98 ILE 98 120 120 ILE ILE C . n +C 3 99 SER 99 121 121 SER SER C . n +C 3 100 SER 100 122 122 SER SER C . n +C 3 101 ALA 101 123 123 ALA ALA C . n +C 3 102 VAL 102 124 124 VAL VAL C . n +C 3 103 LEU 103 125 125 LEU LEU C . n +C 3 104 GLY 104 126 126 GLY GLY C . n +C 3 105 PHE 105 127 127 PHE PHE C . n +C 3 106 GLY 106 128 128 GLY GLY C . n +C 3 107 GLY 107 129 129 GLY GLY C . n +C 3 108 VAL 108 130 130 VAL VAL C . n +C 3 109 TYR 109 131 131 TYR TYR C . n +C 3 110 HIS 110 132 132 HIS HIS C . n +C 3 111 ALA 111 133 133 ALA ALA C . n +C 3 112 ILE 112 134 134 ILE ILE C . n +C 3 113 ARG 113 135 135 ARG ARG C . n +C 3 114 GLY 114 136 136 GLY GLY C . n +C 3 115 PRO 115 137 137 PRO PRO C . n +C 3 116 GLU 116 138 138 GLU GLU C . n +C 3 117 THR 117 139 139 THR THR C . n +C 3 118 LEU 118 140 140 LEU LEU C . n +C 3 119 GLU 119 141 141 GLU GLU C . n +C 3 120 GLU 120 142 142 GLU GLU C . n +C 3 121 TYR 121 143 143 TYR TYR C . n +C 3 122 SER 122 144 144 SER SER C . n +C 3 123 SER 123 145 145 SER SER C . n +C 3 124 PHE 124 146 146 PHE PHE C . n +C 3 125 PHE 125 147 147 PHE PHE C . n +C 3 126 GLY 126 148 148 GLY GLY C . n +C 3 127 TYR 127 149 149 TYR TYR C . n +C 3 128 ASP 128 150 150 ASP ASP C . n +C 3 129 TRP 129 151 151 TRP TRP C . n +C 3 130 LYS 130 152 152 LYS LYS C . n +C 3 131 ASP 131 153 153 ASP ASP C . n +C 3 132 LYS 132 154 154 LYS LYS C . n +C 3 133 ASN 133 155 155 ASN ASN C . n +C 3 134 LYS 134 156 156 LYS LYS C . n +C 3 135 MET 135 157 157 MET MET C . n +C 3 136 THR 136 158 158 THR THR C . n +C 3 137 THR 137 159 159 THR THR C . n +C 3 138 ILE 138 160 160 ILE ILE C . n +C 3 139 LEU 139 161 161 LEU LEU C . n +C 3 140 GLY 140 162 162 GLY GLY C . n +C 3 141 PHE 141 163 163 PHE PHE C . n +C 3 142 HIS 142 164 164 HIS HIS C . n +C 3 143 LEU 143 165 165 LEU LEU C . n +C 3 144 ILE 144 166 166 ILE ILE C . n +C 3 145 VAL 145 167 167 VAL VAL C . n +C 3 146 LEU 146 168 168 LEU LEU C . n +C 3 147 GLY 147 169 169 GLY GLY C . n +C 3 148 ILE 148 170 170 ILE ILE C . n +C 3 149 GLY 149 171 171 GLY GLY C . n +C 3 150 ALA 150 172 172 ALA ALA C . n +C 3 151 LEU 151 173 173 LEU LEU C . n +C 3 152 LEU 152 174 174 LEU LEU C . n +C 3 153 LEU 153 175 175 LEU LEU C . n +C 3 154 VAL 154 176 176 VAL VAL C . n +C 3 155 ALA 155 177 177 ALA ALA C . n +C 3 156 LYS 156 178 178 LYS LYS C . n +C 3 157 ALA 157 179 179 ALA ALA C . n +C 3 158 MET 158 180 180 MET MET C . n +C 3 159 PHE 159 181 181 PHE PHE C . n +C 3 160 PHE 160 182 182 PHE PHE C . n +C 3 161 GLY 161 183 183 GLY GLY C . n +C 3 162 GLY 162 184 184 GLY GLY C . n +C 3 163 LEU 163 185 185 LEU LEU C . n +C 3 164 TYR 164 186 186 TYR TYR C . n +C 3 165 ASP 165 187 187 ASP ASP C . n +C 3 166 THR 166 188 188 THR THR C . n +C 3 167 TRP 167 189 189 TRP TRP C . n +C 3 168 ALA 168 190 190 ALA ALA C . n +C 3 169 PRO 169 191 191 PRO PRO C . n +C 3 170 GLY 170 192 192 GLY GLY C . n +C 3 171 GLY 171 193 193 GLY GLY C . n +C 3 172 GLY 172 194 194 GLY GLY C . n +C 3 173 ASP 173 195 195 ASP ASP C . n +C 3 174 VAL 174 196 196 VAL VAL C . n +C 3 175 ARG 175 197 197 ARG ARG C . n +C 3 176 VAL 176 198 198 VAL VAL C . n +C 3 177 ILE 177 199 199 ILE ILE C . n +C 3 178 THR 178 200 200 THR THR C . n +C 3 179 ASN 179 201 201 ASN ASN C . n +C 3 180 PRO 180 202 202 PRO PRO C . n +C 3 181 THR 181 203 203 THR THR C . n +C 3 182 LEU 182 204 204 LEU LEU C . n +C 3 183 ASP 183 205 205 ASP ASP C . n +C 3 184 PRO 184 206 206 PRO PRO C . n +C 3 185 ARG 185 207 207 ARG ARG C . n +C 3 186 VAL 186 208 208 VAL VAL C . n +C 3 187 ILE 187 209 209 ILE ILE C . n +C 3 188 PHE 188 210 210 PHE PHE C . n +C 3 189 GLY 189 211 211 GLY GLY C . n +C 3 190 TYR 190 212 212 TYR TYR C . n +C 3 191 LEU 191 213 213 LEU LEU C . n +C 3 192 LEU 192 214 214 LEU LEU C . n +C 3 193 LYS 193 215 215 LYS LYS C . n +C 3 194 SER 194 216 216 SER SER C . n +C 3 195 PRO 195 217 217 PRO PRO C . n +C 3 196 PHE 196 218 218 PHE PHE C . n +C 3 197 GLY 197 219 219 GLY GLY C . n +C 3 198 GLY 198 220 220 GLY GLY C . n +C 3 199 GLU 199 221 221 GLU GLU C . n +C 3 200 GLY 200 222 222 GLY GLY C . n +C 3 201 TRP 201 223 223 TRP TRP C . n +C 3 202 ILE 202 224 224 ILE ILE C . n +C 3 203 VAL 203 225 225 VAL VAL C . n +C 3 204 SER 204 226 226 SER SER C . n +C 3 205 VAL 205 227 227 VAL VAL C . n +C 3 206 ASN 206 228 228 ASN ASN C . n +C 3 207 ASN 207 229 229 ASN ASN C . n +C 3 208 LEU 208 230 230 LEU LEU C . n +C 3 209 GLU 209 231 231 GLU GLU C . n +C 3 210 ASP 210 232 232 ASP ASP C . n +C 3 211 VAL 211 233 233 VAL VAL C . n +C 3 212 VAL 212 234 234 VAL VAL C . n +C 3 213 GLY 213 235 235 GLY GLY C . n +C 3 214 GLY 214 236 236 GLY GLY C . n +C 3 215 HIS 215 237 237 HIS HIS C . n +C 3 216 ILE 216 238 238 ILE ILE C . n +C 3 217 TRP 217 239 239 TRP TRP C . n +C 3 218 ILE 218 240 240 ILE ILE C . n +C 3 219 GLY 219 241 241 GLY GLY C . n +C 3 220 LEU 220 242 242 LEU LEU C . n +C 3 221 ILE 221 243 243 ILE ILE C . n +C 3 222 CYS 222 244 244 CYS CYS C . n +C 3 223 ILE 223 245 245 ILE ILE C . n +C 3 224 ALA 224 246 246 ALA ALA C . n +C 3 225 GLY 225 247 247 GLY GLY C . n +C 3 226 GLY 226 248 248 GLY GLY C . n +C 3 227 ILE 227 249 249 ILE ILE C . n +C 3 228 TRP 228 250 250 TRP TRP C . n +C 3 229 HIS 229 251 251 HIS HIS C . n +C 3 230 ILE 230 252 252 ILE ILE C . n +C 3 231 LEU 231 253 253 LEU LEU C . n +C 3 232 THR 232 254 254 THR THR C . n +C 3 233 THR 233 255 255 THR THR C . n +C 3 234 PRO 234 256 256 PRO PRO C . n +C 3 235 PHE 235 257 257 PHE PHE C . n +C 3 236 GLY 236 258 258 GLY GLY C . n +C 3 237 TRP 237 259 259 TRP TRP C . n +C 3 238 ALA 238 260 260 ALA ALA C . n +C 3 239 ARG 239 261 261 ARG ARG C . n +C 3 240 ARG 240 262 262 ARG ARG C . n +C 3 241 ALA 241 263 263 ALA ALA C . n +C 3 242 PHE 242 264 264 PHE PHE C . n +C 3 243 ILE 243 265 265 ILE ILE C . n +C 3 244 TRP 244 266 266 TRP TRP C . n +C 3 245 SER 245 267 267 SER SER C . n +C 3 246 GLY 246 268 268 GLY GLY C . n +C 3 247 GLU 247 269 269 GLU GLU C . n +C 3 248 ALA 248 270 270 ALA ALA C . n +C 3 249 TYR 249 271 271 TYR TYR C . n +C 3 250 LEU 250 272 272 LEU LEU C . n +C 3 251 SER 251 273 273 SER SER C . n +C 3 252 TYR 252 274 274 TYR TYR C . n +C 3 253 SER 253 275 275 SER SER C . n +C 3 254 LEU 254 276 276 LEU LEU C . n +C 3 255 GLY 255 277 277 GLY GLY C . n +C 3 256 ALA 256 278 278 ALA ALA C . n +C 3 257 LEU 257 279 279 LEU LEU C . n +C 3 258 SER 258 280 280 SER SER C . n +C 3 259 MET 259 281 281 MET MET C . n +C 3 260 MET 260 282 282 MET MET C . n +C 3 261 GLY 261 283 283 GLY GLY C . n +C 3 262 PHE 262 284 284 PHE PHE C . n +C 3 263 ILE 263 285 285 ILE ILE C . n +C 3 264 ALA 264 286 286 ALA ALA C . n +C 3 265 THR 265 287 287 THR THR C . n +C 3 266 CYS 266 288 288 CYS CYS C . n +C 3 267 PHE 267 289 289 PHE PHE C . n +C 3 268 VAL 268 290 290 VAL VAL C . n +C 3 269 TRP 269 291 291 TRP TRP C . n +C 3 270 PHE 270 292 292 PHE PHE C . n +C 3 271 ASN 271 293 293 ASN ASN C . n +C 3 272 ASN 272 294 294 ASN ASN C . n +C 3 273 THR 273 295 295 THR THR C . n +C 3 274 VAL 274 296 296 VAL VAL C . n +C 3 275 TYR 275 297 297 TYR TYR C . n +C 3 276 PRO 276 298 298 PRO PRO C . n +C 3 277 SER 277 299 299 SER SER C . n +C 3 278 GLU 278 300 300 GLU GLU C . n +C 3 279 PHE 279 301 301 PHE PHE C . n +C 3 280 TYR 280 302 302 TYR TYR C . n +C 3 281 GLY 281 303 303 GLY GLY C . n +C 3 282 PRO 282 304 304 PRO PRO C . n +C 3 283 THR 283 305 305 THR THR C . n +C 3 284 GLY 284 306 306 GLY GLY C . n +C 3 285 PRO 285 307 307 PRO PRO C . n +C 3 286 GLU 286 308 308 GLU GLU C . n +C 3 287 ALA 287 309 309 ALA ALA C . n +C 3 288 SER 288 310 310 SER SER C . n +C 3 289 GLN 289 311 311 GLN GLN C . n +C 3 290 ALA 290 312 312 ALA ALA C . n +C 3 291 GLN 291 313 313 GLN GLN C . n +C 3 292 ALA 292 314 314 ALA ALA C . n +C 3 293 MET 293 315 315 MET MET C . n +C 3 294 THR 294 316 316 THR THR C . n +C 3 295 PHE 295 317 317 PHE PHE C . n +C 3 296 LEU 296 318 318 LEU LEU C . n +C 3 297 ILE 297 319 319 ILE ILE C . n +C 3 298 ARG 298 320 320 ARG ARG C . n +C 3 299 ASP 299 321 321 ASP ASP C . n +C 3 300 GLN 300 322 322 GLN GLN C . n +C 3 301 LYS 301 323 323 LYS LYS C . n +C 3 302 LEU 302 324 324 LEU LEU C . n +C 3 303 GLY 303 325 325 GLY GLY C . n +C 3 304 ALA 304 326 326 ALA ALA C . n +C 3 305 ASN 305 327 327 ASN ASN C . n +C 3 306 VAL 306 328 328 VAL VAL C . n +C 3 307 GLY 307 329 329 GLY GLY C . n +C 3 308 SER 308 330 330 SER SER C . n +C 3 309 ALA 309 331 331 ALA ALA C . n +C 3 310 GLN 310 332 332 GLN GLN C . n +C 3 311 GLY 311 333 333 GLY GLY C . n +C 3 312 PRO 312 334 334 PRO PRO C . n +C 3 313 THR 313 335 335 THR THR C . n +C 3 314 GLY 314 336 336 GLY GLY C . n +C 3 315 LEU 315 337 337 LEU LEU C . n +C 3 316 GLY 316 338 338 GLY GLY C . n +C 3 317 LYS 317 339 339 LYS LYS C . n +C 3 318 TYR 318 340 340 TYR TYR C . n +C 3 319 LEU 319 341 341 LEU LEU C . n +C 3 320 MET 320 342 342 MET MET C . n +C 3 321 ARG 321 343 343 ARG ARG C . n +C 3 322 SER 322 344 344 SER SER C . n +C 3 323 PRO 323 345 345 PRO PRO C . n +C 3 324 THR 324 346 346 THR THR C . n +C 3 325 GLY 325 347 347 GLY GLY C . n +C 3 326 GLU 326 348 348 GLU GLU C . n +C 3 327 ILE 327 349 349 ILE ILE C . n +C 3 328 ILE 328 350 350 ILE ILE C . n +C 3 329 PHE 329 351 351 PHE PHE C . n +C 3 330 GLY 330 352 352 GLY GLY C . n +C 3 331 GLY 331 353 353 GLY GLY C . n +C 3 332 GLU 332 354 354 GLU GLU C . n +C 3 333 THR 333 355 355 THR THR C . n +C 3 334 MET 334 356 356 MET MET C . n +C 3 335 ARG 335 357 357 ARG ARG C . n +C 3 336 PHE 336 358 358 PHE PHE C . n +C 3 337 TRP 337 359 359 TRP TRP C . n +C 3 338 ASP 338 360 360 ASP ASP C . n +C 3 339 PHE 339 361 361 PHE PHE C . n +C 3 340 ARG 340 362 362 ARG ARG C . n +C 3 341 GLY 341 363 363 GLY GLY C . n +C 3 342 PRO 342 364 364 PRO PRO C . n +C 3 343 TRP 343 365 365 TRP TRP C . n +C 3 344 LEU 344 366 366 LEU LEU C . n +C 3 345 GLU 345 367 367 GLU GLU C . n +C 3 346 PRO 346 368 368 PRO PRO C . n +C 3 347 LEU 347 369 369 LEU LEU C . n +C 3 348 ARG 348 370 370 ARG ARG C . n +C 3 349 GLY 349 371 371 GLY GLY C . n +C 3 350 PRO 350 372 372 PRO PRO C . n +C 3 351 ASN 351 373 373 ASN ASN C . n +C 3 352 GLY 352 374 374 GLY GLY C . n +C 3 353 LEU 353 375 375 LEU LEU C . n +C 3 354 ASP 354 376 376 ASP ASP C . n +C 3 355 LEU 355 377 377 LEU LEU C . n +C 3 356 ASN 356 378 378 ASN ASN C . n +C 3 357 LYS 357 379 379 LYS LYS C . n +C 3 358 ILE 358 380 380 ILE ILE C . n +C 3 359 LYS 359 381 381 LYS LYS C . n +C 3 360 ASN 360 382 382 ASN ASN C . n +C 3 361 ASP 361 383 383 ASP ASP C . n +C 3 362 ILE 362 384 384 ILE ILE C . n +C 3 363 GLN 363 385 385 GLN GLN C . n +C 3 364 PRO 364 386 386 PRO PRO C . n +C 3 365 TRP 365 387 387 TRP TRP C . n +C 3 366 GLN 366 388 388 GLN GLN C . n +C 3 367 GLU 367 389 389 GLU GLU C . n +C 3 368 ARG 368 390 390 ARG ARG C . n +C 3 369 ARG 369 391 391 ARG ARG C . n +C 3 370 ALA 370 392 392 ALA ALA C . n +C 3 371 ALA 371 393 393 ALA ALA C . n +C 3 372 GLU 372 394 394 GLU GLU C . n +C 3 373 TYR 373 395 395 TYR TYR C . n +C 3 374 MET 374 396 396 MET MET C . n +C 3 375 THR 375 397 397 THR THR C . n +C 3 376 HIS 376 398 398 HIS HIS C . n +C 3 377 ALA 377 399 399 ALA ALA C . n +C 3 378 PRO 378 400 400 PRO PRO C . n +C 3 379 LEU 379 401 401 LEU LEU C . n +C 3 380 GLY 380 402 402 GLY GLY C . n +C 3 381 SER 381 403 403 SER SER C . n +C 3 382 LEU 382 404 404 LEU LEU C . n +C 3 383 ASN 383 405 405 ASN ASN C . n +C 3 384 SER 384 406 406 SER SER C . n +C 3 385 VAL 385 407 407 VAL VAL C . n +C 3 386 GLY 386 408 408 GLY GLY C . n +C 3 387 GLY 387 409 409 GLY GLY C . n +C 3 388 VAL 388 410 410 VAL VAL C . n +C 3 389 ALA 389 411 411 ALA ALA C . n +C 3 390 THR 390 412 412 THR THR C . n +C 3 391 GLU 391 413 413 GLU GLU C . n +C 3 392 ILE 392 414 414 ILE ILE C . n +C 3 393 ASN 393 415 415 ASN ASN C . n +C 3 394 SER 394 416 416 SER SER C . n +C 3 395 VAL 395 417 417 VAL VAL C . n +C 3 396 ASN 396 418 418 ASN ASN C . n +C 3 397 PHE 397 419 419 PHE PHE C . n +C 3 398 VAL 398 420 420 VAL VAL C . n +C 3 399 SER 399 421 421 SER SER C . n +C 3 400 PRO 400 422 422 PRO PRO C . n +C 3 401 ARG 401 423 423 ARG ARG C . n +C 3 402 SER 402 424 424 SER SER C . n +C 3 403 TRP 403 425 425 TRP TRP C . n +C 3 404 LEU 404 426 426 LEU LEU C . n +C 3 405 ALA 405 427 427 ALA ALA C . n +C 3 406 THR 406 428 428 THR THR C . n +C 3 407 SER 407 429 429 SER SER C . n +C 3 408 HIS 408 430 430 HIS HIS C . n +C 3 409 PHE 409 431 431 PHE PHE C . n +C 3 410 VAL 410 432 432 VAL VAL C . n +C 3 411 LEU 411 433 433 LEU LEU C . n +C 3 412 ALA 412 434 434 ALA ALA C . n +C 3 413 PHE 413 435 435 PHE PHE C . n +C 3 414 PHE 414 436 436 PHE PHE C . n +C 3 415 PHE 415 437 437 PHE PHE C . n +C 3 416 LEU 416 438 438 LEU LEU C . n +C 3 417 VAL 417 439 439 VAL VAL C . n +C 3 418 GLY 418 440 440 GLY GLY C . n +C 3 419 HIS 419 441 441 HIS HIS C . n +C 3 420 LEU 420 442 442 LEU LEU C . n +C 3 421 TRP 421 443 443 TRP TRP C . n +C 3 422 HIS 422 444 444 HIS HIS C . n +C 3 423 ALA 423 445 445 ALA ALA C . n +C 3 424 GLY 424 446 446 GLY GLY C . n +C 3 425 ARG 425 447 447 ARG ARG C . n +C 3 426 ALA 426 448 448 ALA ALA C . n +C 3 427 ARG 427 449 449 ARG ARG C . n +C 3 428 ALA 428 450 450 ALA ALA C . n +C 3 429 ALA 429 451 451 ALA ALA C . n +C 3 430 ALA 430 452 452 ALA ALA C . n +C 3 431 ALA 431 453 453 ALA ALA C . n +C 3 432 GLY 432 454 454 GLY GLY C . n +C 3 433 PHE 433 455 455 PHE PHE C . n +C 3 434 GLU 434 456 456 GLU GLU C . n +C 3 435 LYS 435 457 457 LYS LYS C . n +C 3 436 GLY 436 458 458 GLY GLY C . n +C 3 437 ILE 437 459 459 ILE ILE C . n +C 3 438 ASP 438 460 460 ASP ASP C . n +C 3 439 ARG 439 461 461 ARG ARG C . n +C 3 440 GLU 440 462 462 GLU GLU C . n +C 3 441 SER 441 463 463 SER SER C . n +C 3 442 GLU 442 464 464 GLU GLU C . n +C 3 443 PRO 443 465 465 PRO PRO C . n +C 3 444 VAL 444 466 466 VAL VAL C . n +C 3 445 LEU 445 467 467 LEU LEU C . n +C 3 446 SER 446 468 468 SER SER C . n +C 3 447 MET 447 469 469 MET MET C . n +C 3 448 PRO 448 470 470 PRO PRO C . n +C 3 449 SER 449 471 471 SER SER C . n +C 3 450 LEU 450 472 472 LEU LEU C . n +C 3 451 ASP 451 473 473 ASP ASP C . n +D 4 1 GLU 1 11 11 GLU GLU D . n +D 4 2 ARG 2 12 12 ARG ARG D . n +D 4 3 GLY 3 13 13 GLY GLY D . n +D 4 4 TRP 4 14 14 TRP TRP D . n +D 4 5 PHE 5 15 15 PHE PHE D . n +D 4 6 ASP 6 16 16 ASP ASP D . n +D 4 7 ILE 7 17 17 ILE ILE D . n +D 4 8 LEU 8 18 18 LEU LEU D . n +D 4 9 ASP 9 19 19 ASP ASP D . n +D 4 10 ASP 10 20 20 ASP ASP D . n +D 4 11 TRP 11 21 21 TRP TRP D . n +D 4 12 LEU 12 22 22 LEU LEU D . n +D 4 13 LYS 13 23 23 LYS LYS D . n +D 4 14 ARG 14 24 24 ARG ARG D . n +D 4 15 ASP 15 25 25 ASP ASP D . n +D 4 16 ARG 16 26 26 ARG ARG D . n +D 4 17 PHE 17 27 27 PHE PHE D . n +D 4 18 VAL 18 28 28 VAL VAL D . n +D 4 19 PHE 19 29 29 PHE PHE D . n +D 4 20 VAL 20 30 30 VAL VAL D . n +D 4 21 GLY 21 31 31 GLY GLY D . n +D 4 22 TRP 22 32 32 TRP TRP D . n +D 4 23 SER 23 33 33 SER SER D . n +D 4 24 GLY 24 34 34 GLY GLY D . n +D 4 25 ILE 25 35 35 ILE ILE D . n +D 4 26 LEU 26 36 36 LEU LEU D . n +D 4 27 LEU 27 37 37 LEU LEU D . n +D 4 28 PHE 28 38 38 PHE PHE D . n +D 4 29 PRO 29 39 39 PRO PRO D . n +D 4 30 CYS 30 40 40 CYS CYS D . n +D 4 31 ALA 31 41 41 ALA ALA D . n +D 4 32 TYR 32 42 42 TYR TYR D . n +D 4 33 LEU 33 43 43 LEU LEU D . n +D 4 34 ALA 34 44 44 ALA ALA D . n +D 4 35 LEU 35 45 45 LEU LEU D . n +D 4 36 GLY 36 46 46 GLY GLY D . n +D 4 37 GLY 37 47 47 GLY GLY D . n +D 4 38 TRP 38 48 48 TRP TRP D . n +D 4 39 LEU 39 49 49 LEU LEU D . n +D 4 40 THR 40 50 50 THR THR D . n +D 4 41 GLY 41 51 51 GLY GLY D . n +D 4 42 THR 42 52 52 THR THR D . n +D 4 43 THR 43 53 53 THR THR D . n +D 4 44 PHE 44 54 54 PHE PHE D . n +D 4 45 VAL 45 55 55 VAL VAL D . n +D 4 46 THR 46 56 56 THR THR D . n +D 4 47 SER 47 57 57 SER SER D . n +D 4 48 TRP 48 58 58 TRP TRP D . n +D 4 49 TYR 49 59 59 TYR TYR D . n +D 4 50 THR 50 60 60 THR THR D . n +D 4 51 HIS 51 61 61 HIS HIS D . n +D 4 52 GLY 52 62 62 GLY GLY D . n +D 4 53 LEU 53 63 63 LEU LEU D . n +D 4 54 ALA 54 64 64 ALA ALA D . n +D 4 55 SER 55 65 65 SER SER D . n +D 4 56 SER 56 66 66 SER SER D . n +D 4 57 TYR 57 67 67 TYR TYR D . n +D 4 58 LEU 58 68 68 LEU LEU D . n +D 4 59 GLU 59 69 69 GLU GLU D . n +D 4 60 GLY 60 70 70 GLY GLY D . n +D 4 61 CYS 61 71 71 CYS CYS D . n +D 4 62 ASN 62 72 72 ASN ASN D . n +D 4 63 PHE 63 73 73 PHE PHE D . n +D 4 64 LEU 64 74 74 LEU LEU D . n +D 4 65 THR 65 75 75 THR THR D . n +D 4 66 VAL 66 76 76 VAL VAL D . n +D 4 67 ALA 67 77 77 ALA ALA D . n +D 4 68 VAL 68 78 78 VAL VAL D . n +D 4 69 SER 69 79 79 SER SER D . n +D 4 70 THR 70 80 80 THR THR D . n +D 4 71 PRO 71 81 81 PRO PRO D . n +D 4 72 ALA 72 82 82 ALA ALA D . n +D 4 73 ASN 73 83 83 ASN ASN D . n +D 4 74 SER 74 84 84 SER SER D . n +D 4 75 MET 75 85 85 MET MET D . n +D 4 76 GLY 76 86 86 GLY GLY D . n +D 4 77 HIS 77 87 87 HIS HIS D . n +D 4 78 SER 78 88 88 SER SER D . n +D 4 79 LEU 79 89 89 LEU LEU D . n +D 4 80 LEU 80 90 90 LEU LEU D . n +D 4 81 LEU 81 91 91 LEU LEU D . n +D 4 82 LEU 82 92 92 LEU LEU D . n +D 4 83 TRP 83 93 93 TRP TRP D . n +D 4 84 GLY 84 94 94 GLY GLY D . n +D 4 85 PRO 85 95 95 PRO PRO D . n +D 4 86 GLU 86 96 96 GLU GLU D . n +D 4 87 ALA 87 97 97 ALA ALA D . n +D 4 88 GLN 88 98 98 GLN GLN D . n +D 4 89 GLY 89 99 99 GLY GLY D . n +D 4 90 ASP 90 100 100 ASP ASP D . n +D 4 91 PHE 91 101 101 PHE PHE D . n +D 4 92 THR 92 102 102 THR THR D . n +D 4 93 ARG 93 103 103 ARG ARG D . n +D 4 94 TRP 94 104 104 TRP TRP D . n +D 4 95 CYS 95 105 105 CYS CYS D . n +D 4 96 GLN 96 106 106 GLN GLN D . n +D 4 97 LEU 97 107 107 LEU LEU D . n +D 4 98 GLY 98 108 108 GLY GLY D . n +D 4 99 GLY 99 109 109 GLY GLY D . n +D 4 100 LEU 100 110 110 LEU LEU D . n +D 4 101 TRP 101 111 111 TRP TRP D . n +D 4 102 THR 102 112 112 THR THR D . n +D 4 103 PHE 103 113 113 PHE PHE D . n +D 4 104 ILE 104 114 114 ILE ILE D . n +D 4 105 ALA 105 115 115 ALA ALA D . n +D 4 106 LEU 106 116 116 LEU LEU D . n +D 4 107 HIS 107 117 117 HIS HIS D . n +D 4 108 GLY 108 118 118 GLY GLY D . n +D 4 109 ALA 109 119 119 ALA ALA D . n +D 4 110 PHE 110 120 120 PHE PHE D . n +D 4 111 GLY 111 121 121 GLY GLY D . n +D 4 112 LEU 112 122 122 LEU LEU D . n +D 4 113 ILE 113 123 123 ILE ILE D . n +D 4 114 GLY 114 124 124 GLY GLY D . n +D 4 115 PHE 115 125 125 PHE PHE D . n +D 4 116 MET 116 126 126 MET MET D . n +D 4 117 LEU 117 127 127 LEU LEU D . n +D 4 118 ARG 118 128 128 ARG ARG D . n +D 4 119 GLN 119 129 129 GLN GLN D . n +D 4 120 PHE 120 130 130 PHE PHE D . n +D 4 121 GLU 121 131 131 GLU GLU D . n +D 4 122 ILE 122 132 132 ILE ILE D . n +D 4 123 ALA 123 133 133 ALA ALA D . n +D 4 124 ARG 124 134 134 ARG ARG D . n +D 4 125 LEU 125 135 135 LEU LEU D . n +D 4 126 VAL 126 136 136 VAL VAL D . n +D 4 127 GLY 127 137 137 GLY GLY D . n +D 4 128 VAL 128 138 138 VAL VAL D . n +D 4 129 ARG 129 139 139 ARG ARG D . n +D 4 130 PRO 130 140 140 PRO PRO D . n +D 4 131 TYR 131 141 141 TYR TYR D . n +D 4 132 ASN 132 142 142 ASN ASN D . n +D 4 133 ALA 133 143 143 ALA ALA D . n +D 4 134 ILE 134 144 144 ILE ILE D . n +D 4 135 ALA 135 145 145 ALA ALA D . n +D 4 136 PHE 136 146 146 PHE PHE D . n +D 4 137 SER 137 147 147 SER SER D . n +D 4 138 ALA 138 148 148 ALA ALA D . n +D 4 139 PRO 139 149 149 PRO PRO D . n +D 4 140 ILE 140 150 150 ILE ILE D . n +D 4 141 ALA 141 151 151 ALA ALA D . n +D 4 142 VAL 142 152 152 VAL VAL D . n +D 4 143 PHE 143 153 153 PHE PHE D . n +D 4 144 VAL 144 154 154 VAL VAL D . n +D 4 145 SER 145 155 155 SER SER D . n +D 4 146 VAL 146 156 156 VAL VAL D . n +D 4 147 PHE 147 157 157 PHE PHE D . n +D 4 148 LEU 148 158 158 LEU LEU D . n +D 4 149 ILE 149 159 159 ILE ILE D . n +D 4 150 TYR 150 160 160 TYR TYR D . n +D 4 151 PRO 151 161 161 PRO PRO D . n +D 4 152 LEU 152 162 162 LEU LEU D . n +D 4 153 GLY 153 163 163 GLY GLY D . n +D 4 154 GLN 154 164 164 GLN GLN D . n +D 4 155 SER 155 165 165 SER SER D . n +D 4 156 SER 156 166 166 SER SER D . n +D 4 157 TRP 157 167 167 TRP TRP D . n +D 4 158 PHE 158 168 168 PHE PHE D . n +D 4 159 PHE 159 169 169 PHE PHE D . n +D 4 160 ALA 160 170 170 ALA ALA D . n +D 4 161 PRO 161 171 171 PRO PRO D . n +D 4 162 SER 162 172 172 SER SER D . n +D 4 163 PHE 163 173 173 PHE PHE D . n +D 4 164 GLY 164 174 174 GLY GLY D . n +D 4 165 VAL 165 175 175 VAL VAL D . n +D 4 166 ALA 166 176 176 ALA ALA D . n +D 4 167 ALA 167 177 177 ALA ALA D . n +D 4 168 ILE 168 178 178 ILE ILE D . n +D 4 169 PHE 169 179 179 PHE PHE D . n +D 4 170 ARG 170 180 180 ARG ARG D . n +D 4 171 PHE 171 181 181 PHE PHE D . n +D 4 172 LEU 172 182 182 LEU LEU D . n +D 4 173 LEU 173 183 183 LEU LEU D . n +D 4 174 PHE 174 184 184 PHE PHE D . n +D 4 175 PHE 175 185 185 PHE PHE D . n +D 4 176 GLN 176 186 186 GLN GLN D . n +D 4 177 GLY 177 187 187 GLY GLY D . n +D 4 178 PHE 178 188 188 PHE PHE D . n +D 4 179 HIS 179 189 189 HIS HIS D . n +D 4 180 ASN 180 190 190 ASN ASN D . n +D 4 181 TRP 181 191 191 TRP TRP D . n +D 4 182 THR 182 192 192 THR THR D . n +D 4 183 LEU 183 193 193 LEU LEU D . n +D 4 184 ASN 184 194 194 ASN ASN D . n +D 4 185 PRO 185 195 195 PRO PRO D . n +D 4 186 PHE 186 196 196 PHE PHE D . n +D 4 187 HIS 187 197 197 HIS HIS D . n +D 4 188 MET 188 198 198 MET MET D . n +D 4 189 MET 189 199 199 MET MET D . n +D 4 190 GLY 190 200 200 GLY GLY D . n +D 4 191 VAL 191 201 201 VAL VAL D . n +D 4 192 ALA 192 202 202 ALA ALA D . n +D 4 193 GLY 193 203 203 GLY GLY D . n +D 4 194 VAL 194 204 204 VAL VAL D . n +D 4 195 LEU 195 205 205 LEU LEU D . n +D 4 196 GLY 196 206 206 GLY GLY D . n +D 4 197 GLY 197 207 207 GLY GLY D . n +D 4 198 ALA 198 208 208 ALA ALA D . n +D 4 199 LEU 199 209 209 LEU LEU D . n +D 4 200 LEU 200 210 210 LEU LEU D . n +D 4 201 CYS 201 211 211 CYS CYS D . n +D 4 202 ALA 202 212 212 ALA ALA D . n +D 4 203 ILE 203 213 213 ILE ILE D . n +D 4 204 HIS 204 214 214 HIS HIS D . n +D 4 205 GLY 205 215 215 GLY GLY D . n +D 4 206 ALA 206 216 216 ALA ALA D . n +D 4 207 THR 207 217 217 THR THR D . n +D 4 208 VAL 208 218 218 VAL VAL D . n +D 4 209 GLU 209 219 219 GLU GLU D . n +D 4 210 ASN 210 220 220 ASN ASN D . n +D 4 211 THR 211 221 221 THR THR D . n +D 4 212 LEU 212 222 222 LEU LEU D . n +D 4 213 PHE 213 223 223 PHE PHE D . n +D 4 214 GLN 214 224 224 GLN GLN D . n +D 4 215 ASP 215 225 225 ASP ASP D . n +D 4 216 GLY 216 226 226 GLY GLY D . n +D 4 217 GLU 217 227 227 GLU GLU D . n +D 4 218 GLY 218 228 228 GLY GLY D . n +D 4 219 ALA 219 229 229 ALA ALA D . n +D 4 220 SER 220 230 230 SER SER D . n +D 4 221 THR 221 231 231 THR THR D . n +D 4 222 PHE 222 232 232 PHE PHE D . n +D 4 223 ARG 223 233 233 ARG ARG D . n +D 4 224 ALA 224 234 234 ALA ALA D . n +D 4 225 PHE 225 235 235 PHE PHE D . n +D 4 226 ASN 226 236 236 ASN ASN D . n +D 4 227 PRO 227 237 237 PRO PRO D . n +D 4 228 THR 228 238 238 THR THR D . n +D 4 229 GLN 229 239 239 GLN GLN D . n +D 4 230 ALA 230 240 240 ALA ALA D . n +D 4 231 GLU 231 241 241 GLU GLU D . n +D 4 232 GLU 232 242 242 GLU GLU D . n +D 4 233 THR 233 243 243 THR THR D . n +D 4 234 TYR 234 244 244 TYR TYR D . n +D 4 235 SER 235 245 245 SER SER D . n +D 4 236 MET 236 246 246 MET MET D . n +D 4 237 VAL 237 247 247 VAL VAL D . n +D 4 238 THR 238 248 248 THR THR D . n +D 4 239 ALA 239 249 249 ALA ALA D . n +D 4 240 ASN 240 250 250 ASN ASN D . n +D 4 241 ARG 241 251 251 ARG ARG D . n +D 4 242 PHE 242 252 252 PHE PHE D . n +D 4 243 TRP 243 253 253 TRP TRP D . n +D 4 244 SER 244 254 254 SER SER D . n +D 4 245 GLN 245 255 255 GLN GLN D . n +D 4 246 ILE 246 256 256 ILE ILE D . n +D 4 247 PHE 247 257 257 PHE PHE D . n +D 4 248 GLY 248 258 258 GLY GLY D . n +D 4 249 ILE 249 259 259 ILE ILE D . n +D 4 250 ALA 250 260 260 ALA ALA D . n +D 4 251 PHE 251 261 261 PHE PHE D . n +D 4 252 SER 252 262 262 SER SER D . n +D 4 253 ASN 253 263 263 ASN ASN D . n +D 4 254 LYS 254 264 264 LYS LYS D . n +D 4 255 ARG 255 265 265 ARG ARG D . n +D 4 256 TRP 256 266 266 TRP TRP D . n +D 4 257 LEU 257 267 267 LEU LEU D . n +D 4 258 HIS 258 268 268 HIS HIS D . n +D 4 259 PHE 259 269 269 PHE PHE D . n +D 4 260 PHE 260 270 270 PHE PHE D . n +D 4 261 MET 261 271 271 MET MET D . n +D 4 262 LEU 262 272 272 LEU LEU D . n +D 4 263 PHE 263 273 273 PHE PHE D . n +D 4 264 VAL 264 274 274 VAL VAL D . n +D 4 265 PRO 265 275 275 PRO PRO D . n +D 4 266 VAL 266 276 276 VAL VAL D . n +D 4 267 THR 267 277 277 THR THR D . n +D 4 268 GLY 268 278 278 GLY GLY D . n +D 4 269 LEU 269 279 279 LEU LEU D . n +D 4 270 TRP 270 280 280 TRP TRP D . n +D 4 271 MET 271 281 281 MET MET D . n +D 4 272 SER 272 282 282 SER SER D . n +D 4 273 ALA 273 283 283 ALA ALA D . n +D 4 274 ILE 274 284 284 ILE ILE D . n +D 4 275 GLY 275 285 285 GLY GLY D . n +D 4 276 VAL 276 286 286 VAL VAL D . n +D 4 277 VAL 277 287 287 VAL VAL D . n +D 4 278 GLY 278 288 288 GLY GLY D . n +D 4 279 LEU 279 289 289 LEU LEU D . n +D 4 280 ALA 280 290 290 ALA ALA D . n +D 4 281 LEU 281 291 291 LEU LEU D . n +D 4 282 ASN 282 292 292 ASN ASN D . n +D 4 283 LEU 283 293 293 LEU LEU D . n +D 4 284 ARG 284 294 294 ARG ARG D . n +D 4 285 SER 285 295 295 SER SER D . n +D 4 286 TYR 286 296 296 TYR TYR D . n +D 4 287 ASP 287 297 297 ASP ASP D . n +D 4 288 PHE 288 298 298 PHE PHE D . n +D 4 289 ILE 289 299 299 ILE ILE D . n +D 4 290 SER 290 300 300 SER SER D . n +D 4 291 GLN 291 301 301 GLN GLN D . n +D 4 292 GLU 292 302 302 GLU GLU D . n +D 4 293 ILE 293 303 303 ILE ILE D . n +D 4 294 ARG 294 304 304 ARG ARG D . n +D 4 295 ALA 295 305 305 ALA ALA D . n +D 4 296 ALA 296 306 306 ALA ALA D . n +D 4 297 GLU 297 307 307 GLU GLU D . n +D 4 298 ASP 298 308 308 ASP ASP D . n +D 4 299 PRO 299 309 309 PRO PRO D . n +D 4 300 GLU 300 310 310 GLU GLU D . n +D 4 301 PHE 301 311 311 PHE PHE D . n +D 4 302 GLU 302 312 312 GLU GLU D . n +D 4 303 THR 303 313 313 THR THR D . n +D 4 304 PHE 304 314 314 PHE PHE D . n +D 4 305 TYR 305 315 315 TYR TYR D . n +D 4 306 THR 306 316 316 THR THR D . n +D 4 307 LYS 307 317 317 LYS LYS D . n +D 4 308 ASN 308 318 318 ASN ASN D . n +D 4 309 LEU 309 319 319 LEU LEU D . n +D 4 310 LEU 310 320 320 LEU LEU D . n +D 4 311 LEU 311 321 321 LEU LEU D . n +D 4 312 ASN 312 322 322 ASN ASN D . n +D 4 313 GLU 313 323 323 GLU GLU D . n +D 4 314 GLY 314 324 324 GLY GLY D . n +D 4 315 ILE 315 325 325 ILE ILE D . n +D 4 316 ARG 316 326 326 ARG ARG D . n +D 4 317 ALA 317 327 327 ALA ALA D . n +D 4 318 TRP 318 328 328 TRP TRP D . n +D 4 319 MET 319 329 329 MET MET D . n +D 4 320 ALA 320 330 330 ALA ALA D . n +D 4 321 PRO 321 331 331 PRO PRO D . n +D 4 322 GLN 322 332 332 GLN GLN D . n +D 4 323 ASP 323 333 333 ASP ASP D . n +D 4 324 GLN 324 334 334 GLN GLN D . n +D 4 325 PRO 325 335 335 PRO PRO D . n +D 4 326 HIS 326 336 336 HIS HIS D . n +D 4 327 GLU 327 337 337 GLU GLU D . n +D 4 328 ASN 328 338 338 ASN ASN D . n +D 4 329 PHE 329 339 339 PHE PHE D . n +D 4 330 VAL 330 340 340 VAL VAL D . n +D 4 331 PHE 331 341 341 PHE PHE D . n +D 4 332 PRO 332 342 342 PRO PRO D . n +D 4 333 GLU 333 343 343 GLU GLU D . n +D 4 334 GLU 334 344 344 GLU GLU D . n +D 4 335 VAL 335 345 345 VAL VAL D . n +D 4 336 LEU 336 346 346 LEU LEU D . n +D 4 337 PRO 337 347 347 PRO PRO D . n +D 4 338 ARG 338 348 348 ARG ARG D . n +D 4 339 GLY 339 349 349 GLY GLY D . n +D 4 340 ASN 340 350 350 ASN ASN D . n +D 4 341 ALA 341 351 351 ALA ALA D . n +D 4 342 LEU 342 352 352 LEU LEU D . n +E 5 1 THR 1 4 4 THR THR E . n +E 5 2 THR 2 5 5 THR THR E . n +E 5 3 GLY 3 6 6 GLY GLY E . n +E 5 4 GLU 4 7 7 GLU GLU E . n +E 5 5 ARG 5 8 8 ARG ARG E . n +E 5 6 PRO 6 9 9 PRO PRO E . n +E 5 7 PHE 7 10 10 PHE PHE E . n +E 5 8 SER 8 11 11 SER SER E . n +E 5 9 ASP 9 12 12 ASP ASP E . n +E 5 10 ILE 10 13 13 ILE ILE E . n +E 5 11 ILE 11 14 14 ILE ILE E . n +E 5 12 THR 12 15 15 THR THR E . n +E 5 13 SER 13 16 16 SER SER E . n +E 5 14 VAL 14 17 17 VAL VAL E . n +E 5 15 ARG 15 18 18 ARG ARG E . n +E 5 16 TYR 16 19 19 TYR TYR E . n +E 5 17 TRP 17 20 20 TRP TRP E . n +E 5 18 VAL 18 21 21 VAL VAL E . n +E 5 19 ILE 19 22 22 ILE ILE E . n +E 5 20 HIS 20 23 23 HIS HIS E . n +E 5 21 SER 21 24 24 SER SER E . n +E 5 22 ILE 22 25 25 ILE ILE E . n +E 5 23 THR 23 26 26 THR THR E . n +E 5 24 ILE 24 27 27 ILE ILE E . n +E 5 25 PRO 25 28 28 PRO PRO E . n +E 5 26 ALA 26 29 29 ALA ALA E . n +E 5 27 LEU 27 30 30 LEU LEU E . n +E 5 28 PHE 28 31 31 PHE PHE E . n +E 5 29 ILE 29 32 32 ILE ILE E . n +E 5 30 ALA 30 33 33 ALA ALA E . n +E 5 31 GLY 31 34 34 GLY GLY E . n +E 5 32 TRP 32 35 35 TRP TRP E . n +E 5 33 LEU 33 36 36 LEU LEU E . n +E 5 34 PHE 34 37 37 PHE PHE E . n +E 5 35 VAL 35 38 38 VAL VAL E . n +E 5 36 SER 36 39 39 SER SER E . n +E 5 37 THR 37 40 40 THR THR E . n +E 5 38 GLY 38 41 41 GLY GLY E . n +E 5 39 LEU 39 42 42 LEU LEU E . n +E 5 40 ALA 40 43 43 ALA ALA E . n +E 5 41 TYR 41 44 44 TYR TYR E . n +E 5 42 ASP 42 45 45 ASP ASP E . n +E 5 43 VAL 43 46 46 VAL VAL E . n +E 5 44 PHE 44 47 47 PHE PHE E . n +E 5 45 GLY 45 48 48 GLY GLY E . n +E 5 46 THR 46 49 49 THR THR E . n +E 5 47 PRO 47 50 50 PRO PRO E . n +E 5 48 ARG 48 51 51 ARG ARG E . n +E 5 49 PRO 49 52 52 PRO PRO E . n +E 5 50 ASP 50 53 53 ASP ASP E . n +E 5 51 SER 51 54 54 SER SER E . n +E 5 52 TYR 52 55 55 TYR TYR E . n +E 5 53 TYR 53 56 56 TYR TYR E . n +E 5 54 ALA 54 57 57 ALA ALA E . n +E 5 55 GLN 55 58 58 GLN GLN E . n +E 5 56 GLU 56 59 59 GLU GLU E . n +E 5 57 GLN 57 60 60 GLN GLN E . n +E 5 58 ARG 58 61 61 ARG ARG E . n +E 5 59 SER 59 62 62 SER SER E . n +E 5 60 ILE 60 63 63 ILE ILE E . n +E 5 61 PRO 61 64 64 PRO PRO E . n +E 5 62 LEU 62 65 65 LEU LEU E . n +E 5 63 VAL 63 66 66 VAL VAL E . n +E 5 64 THR 64 67 67 THR THR E . n +E 5 65 ASP 65 68 68 ASP ASP E . n +E 5 66 ARG 66 69 69 ARG ARG E . n +E 5 67 PHE 67 70 70 PHE PHE E . n +E 5 68 GLU 68 71 71 GLU GLU E . n +E 5 69 ALA 69 72 72 ALA ALA E . n +E 5 70 LYS 70 73 73 LYS LYS E . n +E 5 71 GLN 71 74 74 GLN GLN E . n +E 5 72 GLN 72 75 75 GLN GLN E . n +E 5 73 VAL 73 76 76 VAL VAL E . n +E 5 74 GLU 74 77 77 GLU GLU E . n +E 5 75 THR 75 78 78 THR THR E . n +E 5 76 PHE 76 79 79 PHE PHE E . n +E 5 77 LEU 77 80 80 LEU LEU E . n +E 5 78 GLU 78 81 81 GLU GLU E . n +E 5 79 GLN 79 82 82 GLN GLN E . n +E 5 80 LEU 80 83 83 LEU LEU E . n +E 5 81 LYS 81 84 84 LYS LYS E . n +F 6 1 SER 1 12 12 SER SER F . n +F 6 2 TYR 2 13 13 TYR TYR F . n +F 6 3 PRO 3 14 14 PRO PRO F . n +F 6 4 ILE 4 15 15 ILE ILE F . n +F 6 5 PHE 5 16 16 PHE PHE F . n +F 6 6 THR 6 17 17 THR THR F . n +F 6 7 VAL 7 18 18 VAL VAL F . n +F 6 8 ARG 8 19 19 ARG ARG F . n +F 6 9 TRP 9 20 20 TRP TRP F . n +F 6 10 VAL 10 21 21 VAL VAL F . n +F 6 11 ALA 11 22 22 ALA ALA F . n +F 6 12 VAL 12 23 23 VAL VAL F . n +F 6 13 HIS 13 24 24 HIS HIS F . n +F 6 14 THR 14 25 25 THR THR F . n +F 6 15 LEU 15 26 26 LEU LEU F . n +F 6 16 ALA 16 27 27 ALA ALA F . n +F 6 17 VAL 17 28 28 VAL VAL F . n +F 6 18 PRO 18 29 29 PRO PRO F . n +F 6 19 THR 19 30 30 THR THR F . n +F 6 20 ILE 20 31 31 ILE ILE F . n +F 6 21 PHE 21 32 32 PHE PHE F . n +F 6 22 PHE 22 33 33 PHE PHE F . n +F 6 23 LEU 23 34 34 LEU LEU F . n +F 6 24 GLY 24 35 35 GLY GLY F . n +F 6 25 ALA 25 36 36 ALA ALA F . n +F 6 26 ILE 26 37 37 ILE ILE F . n +F 6 27 ALA 27 38 38 ALA ALA F . n +F 6 28 ALA 28 39 39 ALA ALA F . n +F 6 29 MET 29 40 40 MET MET F . n +F 6 30 GLN 30 41 41 GLN GLN F . n +F 6 31 PHE 31 42 42 PHE PHE F . n +F 6 32 ILE 32 43 43 ILE ILE F . n +F 6 33 GLN 33 44 44 GLN GLN F . n +F 6 34 ARG 34 45 45 ARG ARG F . n +G 7 1 ALA 1 2 2 ALA ALA H . n +G 7 2 ARG 2 3 3 ARG ARG H . n +G 7 3 ARG 3 4 4 ARG ARG H . n +G 7 4 THR 4 5 5 THR THR H . n +G 7 5 TRP 5 6 6 TRP TRP H . n +G 7 6 LEU 6 7 7 LEU LEU H . n +G 7 7 GLY 7 8 8 GLY GLY H . n +G 7 8 ASP 8 9 9 ASP ASP H . n +G 7 9 ILE 9 10 10 ILE ILE H . n +G 7 10 LEU 10 11 11 LEU LEU H . n +G 7 11 ARG 11 12 12 ARG ARG H . n +G 7 12 PRO 12 13 13 PRO PRO H . n +G 7 13 LEU 13 14 14 LEU LEU H . n +G 7 14 ASN 14 15 15 ASN ASN H . n +G 7 15 SER 15 16 16 SER SER H . n +G 7 16 GLU 16 17 17 GLU GLU H . n +G 7 17 TYR 17 18 18 TYR TYR H . n +G 7 18 GLY 18 19 19 GLY GLY H . n +G 7 19 LYS 19 20 20 LYS LYS H . n +G 7 20 VAL 20 21 21 VAL VAL H . n +G 7 21 ALA 21 22 22 ALA ALA H . n +G 7 22 PRO 22 23 23 PRO PRO H . n +G 7 23 GLY 23 24 24 GLY GLY H . n +G 7 24 TRP 24 25 25 TRP TRP H . n +G 7 25 GLY 25 26 26 GLY GLY H . n +G 7 26 THR 26 27 27 THR THR H . n +G 7 27 THR 27 28 28 THR THR H . n +G 7 28 PRO 28 29 29 PRO PRO H . n +G 7 29 LEU 29 30 30 LEU LEU H . n +G 7 30 MET 30 31 31 MET MET H . n +G 7 31 ALA 31 32 32 ALA ALA H . n +G 7 32 VAL 32 33 33 VAL VAL H . n +G 7 33 PHE 33 34 34 PHE PHE H . n +G 7 34 MET 34 35 35 MET MET H . n +G 7 35 GLY 35 36 36 GLY GLY H . n +G 7 36 LEU 36 37 37 LEU LEU H . n +G 7 37 PHE 37 38 38 PHE PHE H . n +G 7 38 LEU 38 39 39 LEU LEU H . n +G 7 39 VAL 39 40 40 VAL VAL H . n +G 7 40 PHE 40 41 41 PHE PHE H . n +G 7 41 LEU 41 42 42 LEU LEU H . n +G 7 42 LEU 42 43 43 LEU LEU H . n +G 7 43 ILE 43 44 44 ILE ILE H . n +G 7 44 ILE 44 45 45 ILE ILE H . n +G 7 45 LEU 45 46 46 LEU LEU H . n +G 7 46 GLU 46 47 47 GLU GLU H . n +G 7 47 ILE 47 48 48 ILE ILE H . n +G 7 48 TYR 48 49 49 TYR TYR H . n +G 7 49 ASN 49 50 50 ASN ASN H . n +G 7 50 SER 50 51 51 SER SER H . n +G 7 51 THR 51 52 52 THR THR H . n +G 7 52 LEU 52 53 53 LEU LEU H . n +G 7 53 ILE 53 54 54 ILE ILE H . n +G 7 54 LEU 54 55 55 LEU LEU H . n +G 7 55 ASP 55 56 56 ASP ASP H . n +G 7 56 GLY 56 57 57 GLY GLY H . n +G 7 57 VAL 57 58 58 VAL VAL H . n +G 7 58 ASN 58 59 59 ASN ASN H . n +G 7 59 VAL 59 60 60 VAL VAL H . n +G 7 60 SER 60 61 61 SER SER H . n +G 7 61 TRP 61 62 62 TRP TRP H . n +G 7 62 LYS 62 63 63 LYS LYS H . n +G 7 63 ALA 63 64 64 ALA ALA H . n +G 7 64 LEU 64 65 65 LEU LEU H . n +H 8 1 FME 1 1 1 FME FME I . n +H 8 2 GLU 2 2 2 GLU GLU I . n +H 8 3 THR 3 3 3 THR THR I . n +H 8 4 LEU 4 4 4 LEU LEU I . n +H 8 5 LYS 5 5 5 LYS LYS I . n +H 8 6 ILE 6 6 6 ILE ILE I . n +H 8 7 THR 7 7 7 THR THR I . n +H 8 8 VAL 8 8 8 VAL VAL I . n +H 8 9 TYR 9 9 9 TYR TYR I . n +H 8 10 ILE 10 10 10 ILE ILE I . n +H 8 11 VAL 11 11 11 VAL VAL I . n +H 8 12 VAL 12 12 12 VAL VAL I . n +H 8 13 THR 13 13 13 THR THR I . n +H 8 14 PHE 14 14 14 PHE PHE I . n +H 8 15 PHE 15 15 15 PHE PHE I . n +H 8 16 VAL 16 16 16 VAL VAL I . n +H 8 17 LEU 17 17 17 LEU LEU I . n +H 8 18 LEU 18 18 18 LEU LEU I . n +H 8 19 PHE 19 19 19 PHE PHE I . n +H 8 20 VAL 20 20 20 VAL VAL I . n +H 8 21 PHE 21 21 21 PHE PHE I . n +H 8 22 GLY 22 22 22 GLY GLY I . n +H 8 23 PHE 23 23 23 PHE PHE I . n +H 8 24 LEU 24 24 24 LEU LEU I . n +H 8 25 SER 25 25 25 SER SER I . n +H 8 26 GLY 26 26 26 GLY GLY I . n +H 8 27 ASP 27 27 27 ASP ASP I . n +H 8 28 PRO 28 28 28 PRO PRO I . n +H 8 29 ALA 29 29 29 ALA ALA I . n +H 8 30 ARG 30 30 30 ARG ARG I . n +H 8 31 ASN 31 31 31 ASN ASN I . n +H 8 32 PRO 32 32 32 PRO PRO I . n +H 8 33 LYS 33 33 33 LYS LYS I . n +H 8 34 ARG 34 34 34 ARG ARG I . n +H 8 35 LYS 35 35 35 LYS LYS I . n +H 8 36 ASP 36 36 36 ASP ASP I . n +H 8 37 LEU 37 37 37 LEU LEU I . n +H 8 38 GLU 38 38 38 GLU GLU I . n +I 9 1 SER 1 2 2 SER SER J . n +I 9 2 GLU 2 3 3 GLU GLU J . n +I 9 3 GLY 3 4 4 GLY GLY J . n +I 9 4 GLY 4 5 5 GLY GLY J . n +I 9 5 ARG 5 6 6 ARG ARG J . n +I 9 6 ILE 6 7 7 ILE ILE J . n +I 9 7 PRO 7 8 8 PRO PRO J . n +I 9 8 LEU 8 9 9 LEU LEU J . n +I 9 9 TRP 9 10 10 TRP TRP J . n +I 9 10 ILE 10 11 11 ILE ILE J . n +I 9 11 VAL 11 12 12 VAL VAL J . n +I 9 12 ALA 12 13 13 ALA ALA J . n +I 9 13 THR 13 14 14 THR THR J . n +I 9 14 VAL 14 15 15 VAL VAL J . n +I 9 15 ALA 15 16 16 ALA ALA J . n +I 9 16 GLY 16 17 17 GLY GLY J . n +I 9 17 MET 17 18 18 MET MET J . n +I 9 18 GLY 18 19 19 GLY GLY J . n +I 9 19 VAL 19 20 20 VAL VAL J . n +I 9 20 ILE 20 21 21 ILE ILE J . n +I 9 21 VAL 21 22 22 VAL VAL J . n +I 9 22 ILE 22 23 23 ILE ILE J . n +I 9 23 VAL 23 24 24 VAL VAL J . n +I 9 24 GLY 24 25 25 GLY GLY J . n +I 9 25 LEU 25 26 26 LEU LEU J . n +I 9 26 PHE 26 27 27 PHE PHE J . n +I 9 27 PHE 27 28 28 PHE PHE J . n +I 9 28 TYR 28 29 29 TYR TYR J . n +I 9 29 GLY 29 30 30 GLY GLY J . n +I 9 30 ALA 30 31 31 ALA ALA J . n +I 9 31 TYR 31 32 32 TYR TYR J . n +I 9 32 ALA 32 33 33 ALA ALA J . n +I 9 33 GLY 33 34 34 GLY GLY J . n +I 9 34 LEU 34 35 35 LEU LEU J . n +I 9 35 GLY 35 36 36 GLY GLY J . n +I 9 36 SER 36 37 37 SER SER J . n +I 9 37 SER 37 38 38 SER SER J . n +I 9 38 LEU 38 39 39 LEU LEU J . n +J 10 1 LYS 1 10 10 LYS LYS K . n +J 10 2 LEU 2 11 11 LEU LEU K . n +J 10 3 PRO 3 12 12 PRO PRO K . n +J 10 4 GLU 4 13 13 GLU GLU K . n +J 10 5 ALA 5 14 14 ALA ALA K . n +J 10 6 TYR 6 15 15 TYR TYR K . n +J 10 7 ALA 7 16 16 ALA ALA K . n +J 10 8 ILE 8 17 17 ILE ILE K . n +J 10 9 PHE 9 18 18 PHE PHE K . n +J 10 10 ASP 10 19 19 ASP ASP K . n +J 10 11 PRO 11 20 20 PRO PRO K . n +J 10 12 LEU 12 21 21 LEU LEU K . n +J 10 13 VAL 13 22 22 VAL VAL K . n +J 10 14 ASP 14 23 23 ASP ASP K . n +J 10 15 VAL 15 24 24 VAL VAL K . n +J 10 16 LEU 16 25 25 LEU LEU K . n +J 10 17 PRO 17 26 26 PRO PRO K . n +J 10 18 VAL 18 27 27 VAL VAL K . n +J 10 19 ILE 19 28 28 ILE ILE K . n +J 10 20 PRO 20 29 29 PRO PRO K . n +J 10 21 VAL 21 30 30 VAL VAL K . n +J 10 22 LEU 22 31 31 LEU LEU K . n +J 10 23 PHE 23 32 32 PHE PHE K . n +J 10 24 LEU 24 33 33 LEU LEU K . n +J 10 25 ALA 25 34 34 ALA ALA K . n +J 10 26 LEU 26 35 35 LEU LEU K . n +J 10 27 ALA 27 36 36 ALA ALA K . n +J 10 28 PHE 28 37 37 PHE PHE K . n +J 10 29 VAL 29 38 38 VAL VAL K . n +J 10 30 TRP 30 39 39 TRP TRP K . n +J 10 31 GLN 31 40 40 GLN GLN K . n +J 10 32 ALA 32 41 41 ALA ALA K . n +J 10 33 ALA 33 42 42 ALA ALA K . n +J 10 34 VAL 34 43 43 VAL VAL K . n +J 10 35 GLY 35 44 44 GLY GLY K . n +J 10 36 PHE 36 45 45 PHE PHE K . n +J 10 37 ARG 37 46 46 ARG ARG K . n +K 11 1 GLU 1 2 2 GLU GLU L . n +K 11 2 PRO 2 3 3 PRO PRO L . n +K 11 3 ASN 3 4 4 ASN ASN L . n +K 11 4 PRO 4 5 5 PRO PRO L . n +K 11 5 ASN 5 6 6 ASN ASN L . n +K 11 6 ARG 6 7 7 ARG ARG L . n +K 11 7 GLN 7 8 8 GLN GLN L . n +K 11 8 PRO 8 9 9 PRO PRO L . n +K 11 9 VAL 9 10 10 VAL VAL L . n +K 11 10 GLU 10 11 11 GLU GLU L . n +K 11 11 LEU 11 12 12 LEU LEU L . n +K 11 12 ASN 12 13 13 ASN ASN L . n +K 11 13 ARG 13 14 14 ARG ARG L . n +K 11 14 THR 14 15 15 THR THR L . n +K 11 15 SER 15 16 16 SER SER L . n +K 11 16 LEU 16 17 17 LEU LEU L . n +K 11 17 TYR 17 18 18 TYR TYR L . n +K 11 18 LEU 18 19 19 LEU LEU L . n +K 11 19 GLY 19 20 20 GLY GLY L . n +K 11 20 LEU 20 21 21 LEU LEU L . n +K 11 21 LEU 21 22 22 LEU LEU L . n +K 11 22 LEU 22 23 23 LEU LEU L . n +K 11 23 ILE 23 24 24 ILE ILE L . n +K 11 24 LEU 24 25 25 LEU LEU L . n +K 11 25 VAL 25 26 26 VAL VAL L . n +K 11 26 LEU 26 27 27 LEU LEU L . n +K 11 27 ALA 27 28 28 ALA ALA L . n +K 11 28 LEU 28 29 29 LEU LEU L . n +K 11 29 LEU 29 30 30 LEU LEU L . n +K 11 30 PHE 30 31 31 PHE PHE L . n +K 11 31 SER 31 32 32 SER SER L . n +K 11 32 SER 32 33 33 SER SER L . n +K 11 33 TYR 33 34 34 TYR TYR L . n +K 11 34 PHE 34 35 35 PHE PHE L . n +K 11 35 PHE 35 36 36 PHE PHE L . n +K 11 36 ASN 36 37 37 ASN ASN L . n +L 12 1 FME 1 1 1 FME FME M . n +L 12 2 GLU 2 2 2 GLU GLU M . n +L 12 3 VAL 3 3 3 VAL VAL M . n +L 12 4 ASN 4 4 4 ASN ASN M . n +L 12 5 GLN 5 5 5 GLN GLN M . n +L 12 6 LEU 6 6 6 LEU LEU M . n +L 12 7 GLY 7 7 7 GLY GLY M . n +L 12 8 LEU 8 8 8 LEU LEU M . n +L 12 9 ILE 9 9 9 ILE ILE M . n +L 12 10 ALA 10 10 10 ALA ALA M . n +L 12 11 THR 11 11 11 THR THR M . n +L 12 12 ALA 12 12 12 ALA ALA M . n +L 12 13 LEU 13 13 13 LEU LEU M . n +L 12 14 PHE 14 14 14 PHE PHE M . n +L 12 15 VAL 15 15 15 VAL VAL M . n +L 12 16 LEU 16 16 16 LEU LEU M . n +L 12 17 VAL 17 17 17 VAL VAL M . n +L 12 18 PRO 18 18 18 PRO PRO M . n +L 12 19 SER 19 19 19 SER SER M . n +L 12 20 VAL 20 20 20 VAL VAL M . n +L 12 21 PHE 21 21 21 PHE PHE M . n +L 12 22 LEU 22 22 22 LEU LEU M . n +L 12 23 ILE 23 23 23 ILE ILE M . n +L 12 24 ILE 24 24 24 ILE ILE M . n +L 12 25 LEU 25 25 25 LEU LEU M . n +L 12 26 TYR 26 26 26 TYR TYR M . n +L 12 27 VAL 27 27 27 VAL VAL M . n +L 12 28 GLN 28 28 28 GLN GLN M . n +L 12 29 THR 29 29 29 THR THR M . n +L 12 30 GLU 30 30 30 GLU GLU M . n +L 12 31 SER 31 31 31 SER SER M . n +L 12 32 GLN 32 32 32 GLN GLN M . n +L 12 33 GLN 33 33 33 GLN GLN M . n +M 13 1 THR 1 4 4 THR THR O . n +M 13 2 LEU 2 5 5 LEU LEU O . n +M 13 3 THR 3 6 6 THR THR O . n +M 13 4 TYR 4 7 7 TYR TYR O . n +M 13 5 ASP 5 8 8 ASP ASP O . n +M 13 6 ASP 6 9 9 ASP ASP O . n +M 13 7 ILE 7 10 10 ILE ILE O . n +M 13 8 VAL 8 11 11 VAL VAL O . n +M 13 9 GLY 9 12 12 GLY GLY O . n +M 13 10 THR 10 13 13 THR THR O . n +M 13 11 GLY 11 14 14 GLY GLY O . n +M 13 12 LEU 12 15 15 LEU LEU O . n +M 13 13 ALA 13 16 16 ALA ALA O . n +M 13 14 ASN 14 17 17 ASN ASN O . n +M 13 15 LYS 15 18 18 LYS LYS O . n +M 13 16 CYS 16 19 19 CYS CYS O . n +M 13 17 PRO 17 20 20 PRO PRO O . n +M 13 18 THR 18 21 21 THR THR O . n +M 13 19 LEU 19 22 22 LEU LEU O . n +M 13 20 ASP 20 23 23 ASP ASP O . n +M 13 21 ASP 21 24 24 ASP ASP O . n +M 13 22 THR 22 25 25 THR THR O . n +M 13 23 ALA 23 26 26 ALA ALA O . n +M 13 24 ARG 24 27 27 ARG ARG O . n +M 13 25 GLY 25 28 28 GLY GLY O . n +M 13 26 ALA 26 29 29 ALA ALA O . n +M 13 27 TYR 27 30 30 TYR TYR O . n +M 13 28 PRO 28 31 31 PRO PRO O . n +M 13 29 ILE 29 32 32 ILE ILE O . n +M 13 30 ASP 30 33 33 ASP ASP O . n +M 13 31 SER 31 34 34 SER SER O . n +M 13 32 SER 32 35 35 SER SER O . n +M 13 33 GLN 33 36 36 GLN GLN O . n +M 13 34 THR 34 37 37 THR THR O . n +M 13 35 TYR 35 38 38 TYR TYR O . n +M 13 36 ARG 36 39 39 ARG ARG O . n +M 13 37 ILE 37 40 40 ILE ILE O . n +M 13 38 ALA 38 41 41 ALA ALA O . n +M 13 39 ARG 39 42 42 ARG ARG O . n +M 13 40 LEU 40 43 43 LEU LEU O . n +M 13 41 CYS 41 44 44 CYS CYS O . n +M 13 42 LEU 42 45 45 LEU LEU O . n +M 13 43 GLN 43 46 46 GLN GLN O . n +M 13 44 PRO 44 47 47 PRO PRO O . n +M 13 45 THR 45 48 48 THR THR O . n +M 13 46 THR 46 49 49 THR THR O . n +M 13 47 PHE 47 50 50 PHE PHE O . n +M 13 48 LEU 48 51 51 LEU LEU O . n +M 13 49 VAL 49 52 52 VAL VAL O . n +M 13 50 LYS 50 53 53 LYS LYS O . n +M 13 51 GLU 51 54 54 GLU GLU O . n +M 13 52 GLU 52 55 55 GLU GLU O . n +M 13 53 PRO 53 56 56 PRO PRO O . n +M 13 54 LYS 54 57 57 LYS LYS O . n +M 13 55 ASN 55 58 58 ASN ASN O . n +M 13 56 LYS 56 59 59 LYS LYS O . n +M 13 57 ARG 57 60 60 ARG ARG O . n +M 13 58 GLN 58 61 61 GLN GLN O . n +M 13 59 GLU 59 62 62 GLU GLU O . n +M 13 60 ALA 60 63 63 ALA ALA O . n +M 13 61 GLU 61 64 64 GLU GLU O . n +M 13 62 PHE 62 65 65 PHE PHE O . n +M 13 63 VAL 63 66 66 VAL VAL O . n +M 13 64 PRO 64 67 67 PRO PRO O . n +M 13 65 THR 65 68 68 THR THR O . n +M 13 66 LYS 66 69 69 LYS LYS O . n +M 13 67 LEU 67 70 70 LEU LEU O . n +M 13 68 VAL 68 71 71 VAL VAL O . n +M 13 69 THR 69 72 72 THR THR O . n +M 13 70 ARG 70 73 73 ARG ARG O . n +M 13 71 GLU 71 74 74 GLU GLU O . n +M 13 72 THR 72 75 75 THR THR O . n +M 13 73 THR 73 76 76 THR THR O . n +M 13 74 SER 74 77 77 SER SER O . n +M 13 75 LEU 75 78 78 LEU LEU O . n +M 13 76 ASP 76 79 79 ASP ASP O . n +M 13 77 GLN 77 80 80 GLN GLN O . n +M 13 78 ILE 78 81 81 ILE ILE O . n +M 13 79 GLN 79 82 82 GLN GLN O . n +M 13 80 GLY 80 83 83 GLY GLY O . n +M 13 81 GLU 81 84 84 GLU GLU O . n +M 13 82 LEU 82 85 85 LEU LEU O . n +M 13 83 LYS 83 86 86 LYS LYS O . n +M 13 84 VAL 84 87 87 VAL VAL O . n +M 13 85 ASN 85 88 88 ASN ASN O . n +M 13 86 SER 86 89 89 SER SER O . n +M 13 87 ASP 87 90 90 ASP ASP O . n +M 13 88 GLY 88 91 91 GLY GLY O . n +M 13 89 SER 89 92 92 SER SER O . n +M 13 90 LEU 90 93 93 LEU LEU O . n +M 13 91 THR 91 94 94 THR THR O . n +M 13 92 PHE 92 95 95 PHE PHE O . n +M 13 93 VAL 93 96 96 VAL VAL O . n +M 13 94 GLU 94 97 97 GLU GLU O . n +M 13 95 GLU 95 98 98 GLU GLU O . n +M 13 96 ASP 96 99 99 ASP ASP O . n +M 13 97 GLY 97 100 100 GLY GLY O . n +M 13 98 ILE 98 101 101 ILE ILE O . n +M 13 99 ASP 99 102 102 ASP ASP O . n +M 13 100 PHE 100 103 103 PHE PHE O . n +M 13 101 GLN 101 104 104 GLN GLN O . n +M 13 102 PRO 102 105 105 PRO PRO O . n +M 13 103 VAL 103 106 106 VAL VAL O . n +M 13 104 THR 104 107 107 THR THR O . n +M 13 105 VAL 105 108 108 VAL VAL O . n +M 13 106 GLN 106 109 109 GLN GLN O . n +M 13 107 MET 107 110 110 MET MET O . n +M 13 108 ALA 108 111 111 ALA ALA O . n +M 13 109 GLY 109 112 112 GLY GLY O . n +M 13 110 GLY 110 113 113 GLY GLY O . n +M 13 111 GLU 111 114 114 GLU GLU O . n +M 13 112 ARG 112 115 115 ARG ARG O . n +M 13 113 ILE 113 116 116 ILE ILE O . n +M 13 114 PRO 114 117 117 PRO PRO O . n +M 13 115 LEU 115 118 118 LEU LEU O . n +M 13 116 LEU 116 119 119 LEU LEU O . n +M 13 117 PHE 117 120 120 PHE PHE O . n +M 13 118 THR 118 121 121 THR THR O . n +M 13 119 VAL 119 122 122 VAL VAL O . n +M 13 120 LYS 120 123 123 LYS LYS O . n +M 13 121 ASN 121 124 124 ASN ASN O . n +M 13 122 LEU 122 125 125 LEU LEU O . n +M 13 123 VAL 123 126 126 VAL VAL O . n +M 13 124 ALA 124 127 127 ALA ALA O . n +M 13 125 SER 125 128 128 SER SER O . n +M 13 126 THR 126 129 129 THR THR O . n +M 13 127 GLN 127 130 130 GLN GLN O . n +M 13 128 PRO 128 131 131 PRO PRO O . n +M 13 129 ASN 129 132 132 ASN ASN O . n +M 13 130 VAL 130 133 133 VAL VAL O . n +M 13 131 THR 131 134 134 THR THR O . n +M 13 132 SER 132 135 135 SER SER O . n +M 13 133 ILE 133 136 136 ILE ILE O . n +M 13 134 THR 134 137 137 THR THR O . n +M 13 135 THR 135 138 138 THR THR O . n +M 13 136 SER 136 139 139 SER SER O . n +M 13 137 THR 137 140 140 THR THR O . n +M 13 138 ASP 138 141 141 ASP ASP O . n +M 13 139 PHE 139 142 142 PHE PHE O . n +M 13 140 LYS 140 143 143 LYS LYS O . n +M 13 141 GLY 141 144 144 GLY GLY O . n +M 13 142 GLU 142 145 145 GLU GLU O . n +M 13 143 PHE 143 146 146 PHE PHE O . n +M 13 144 ASN 144 147 147 ASN ASN O . n +M 13 145 VAL 145 148 148 VAL VAL O . n +M 13 146 PRO 146 149 149 PRO PRO O . n +M 13 147 SER 147 150 150 SER SER O . n +M 13 148 TYR 148 151 151 TYR TYR O . n +M 13 149 ARG 149 152 152 ARG ARG O . n +M 13 150 THR 150 153 153 THR THR O . n +M 13 151 ALA 151 154 154 ALA ALA O . n +M 13 152 ASN 152 155 155 ASN ASN O . n +M 13 153 PHE 153 156 156 PHE PHE O . n +M 13 154 LEU 154 157 157 LEU LEU O . n +M 13 155 ASP 155 158 158 ASP ASP O . n +M 13 156 PRO 156 159 159 PRO PRO O . n +M 13 157 LYS 157 160 160 LYS LYS O . n +M 13 158 GLY 158 161 161 GLY GLY O . n +M 13 159 ARG 159 162 162 ARG ARG O . n +M 13 160 GLY 160 163 163 GLY GLY O . n +M 13 161 LEU 161 164 164 LEU LEU O . n +M 13 162 ALA 162 165 165 ALA ALA O . n +M 13 163 SER 163 166 166 SER SER O . n +M 13 164 GLY 164 167 167 GLY GLY O . n +M 13 165 TYR 165 168 168 TYR TYR O . n +M 13 166 ASP 166 169 169 ASP ASP O . n +M 13 167 SER 167 170 170 SER SER O . n +M 13 168 ALA 168 171 171 ALA ALA O . n +M 13 169 ILE 169 172 172 ILE ILE O . n +M 13 170 ALA 170 173 173 ALA ALA O . n +M 13 171 LEU 171 174 174 LEU LEU O . n +M 13 172 PRO 172 175 175 PRO PRO O . n +M 13 173 GLN 173 176 176 GLN GLN O . n +M 13 174 ALA 174 177 177 ALA ALA O . n +M 13 175 LYS 175 178 178 LYS LYS O . n +M 13 176 GLU 176 179 179 GLU GLU O . n +M 13 177 GLU 177 180 180 GLU GLU O . n +M 13 178 GLU 178 181 181 GLU GLU O . n +M 13 179 LEU 179 182 182 LEU LEU O . n +M 13 180 ALA 180 183 183 ALA ALA O . n +M 13 181 ARG 181 184 184 ARG ARG O . n +M 13 182 ALA 182 185 185 ALA ALA O . n +M 13 183 ASN 183 186 186 ASN ASN O . n +M 13 184 VAL 184 187 187 VAL VAL O . n +M 13 185 LYS 185 188 188 LYS LYS O . n +M 13 186 ARG 186 189 189 ARG ARG O . n +M 13 187 PHE 187 190 190 PHE PHE O . n +M 13 188 SER 188 191 191 SER SER O . n +M 13 189 LEU 189 192 192 LEU LEU O . n +M 13 190 THR 190 193 193 THR THR O . n +M 13 191 LYS 191 194 194 LYS LYS O . n +M 13 192 GLY 192 195 195 GLY GLY O . n +M 13 193 GLN 193 196 196 GLN GLN O . n +M 13 194 ILE 194 197 197 ILE ILE O . n +M 13 195 SER 195 198 198 SER SER O . n +M 13 196 LEU 196 199 199 LEU LEU O . n +M 13 197 ASN 197 200 200 ASN ASN O . n +M 13 198 VAL 198 201 201 VAL VAL O . n +M 13 199 ALA 199 202 202 ALA ALA O . n +M 13 200 LYS 200 203 203 LYS LYS O . n +M 13 201 VAL 201 204 204 VAL VAL O . n +M 13 202 ASP 202 205 205 ASP ASP O . n +M 13 203 GLY 203 206 206 GLY GLY O . n +M 13 204 ARG 204 207 207 ARG ARG O . n +M 13 205 THR 205 208 208 THR THR O . n +M 13 206 GLY 206 209 209 GLY GLY O . n +M 13 207 GLU 207 210 210 GLU GLU O . n +M 13 208 ILE 208 211 211 ILE ILE O . n +M 13 209 ALA 209 212 212 ALA ALA O . n +M 13 210 GLY 210 213 213 GLY GLY O . n +M 13 211 THR 211 214 214 THR THR O . n +M 13 212 PHE 212 215 215 PHE PHE O . n +M 13 213 GLU 213 216 216 GLU GLU O . n +M 13 214 SER 214 217 217 SER SER O . n +M 13 215 GLU 215 218 218 GLU GLU O . n +M 13 216 GLN 216 219 219 GLN GLN O . n +M 13 217 LEU 217 220 220 LEU LEU O . n +M 13 218 SER 218 221 221 SER SER O . n +M 13 219 ASP 219 222 222 ASP ASP O . n +M 13 220 ASP 220 223 223 ASP ASP O . n +M 13 221 ASP 221 224 224 ASP ASP O . n +M 13 222 MET 222 225 225 MET MET O . n +M 13 223 GLY 223 226 226 GLY GLY O . n +M 13 224 ALA 224 227 227 ALA ALA O . n +M 13 225 HIS 225 228 228 HIS HIS O . n +M 13 226 GLU 226 229 229 GLU GLU O . n +M 13 227 PRO 227 230 230 PRO PRO O . n +M 13 228 HIS 228 231 231 HIS HIS O . n +M 13 229 GLU 229 232 232 GLU GLU O . n +M 13 230 VAL 230 233 233 VAL VAL O . n +M 13 231 LYS 231 234 234 LYS LYS O . n +M 13 232 ILE 232 235 235 ILE ILE O . n +M 13 233 GLN 233 236 236 GLN GLN O . n +M 13 234 GLY 234 237 237 GLY GLY O . n +M 13 235 VAL 235 238 238 VAL VAL O . n +M 13 236 PHE 236 239 239 PHE PHE O . n +M 13 237 TYR 237 240 240 TYR TYR O . n +M 13 238 ALA 238 241 241 ALA ALA O . n +M 13 239 SER 239 242 242 SER SER O . n +M 13 240 ILE 240 243 243 ILE ILE O . n +M 13 241 GLU 241 244 244 GLU GLU O . n +M 13 242 PRO 242 245 245 PRO PRO O . n +M 13 243 ALA 243 246 246 ALA ALA O . n +N 27 1 ASP 1 2 2 ASP ASP R . n +N 27 2 TRP 2 3 3 TRP TRP R . n +N 27 3 ARG 3 4 4 ARG ARG R . n +N 27 4 VAL 4 5 5 VAL VAL R . n +N 27 5 LEU 5 6 6 LEU LEU R . n +N 27 6 VAL 6 7 7 VAL VAL R . n +N 27 7 VAL 7 8 8 VAL VAL R . n +N 27 8 LEU 8 9 9 LEU LEU R . n +N 27 9 LEU 9 10 10 LEU LEU R . n +N 27 10 PRO 10 11 11 PRO PRO R . n +N 27 11 VAL 11 12 12 VAL VAL R . n +N 27 12 LEU 12 13 13 LEU LEU R . n +N 27 13 LEU 13 14 14 LEU LEU R . n +N 27 14 ALA 14 15 15 ALA ALA R . n +N 27 15 ALA 15 16 16 ALA ALA R . n +N 27 16 GLY 16 17 17 GLY GLY R . n +N 27 17 TRP 17 18 18 TRP TRP R . n +N 27 18 ALA 18 19 19 ALA ALA R . n +N 27 19 VAL 19 20 20 VAL VAL R . n +N 27 20 ARG 20 21 21 ARG ARG R . n +N 27 21 ASN 21 22 22 ASN ASN R . n +N 27 22 ILE 22 23 23 ILE ILE R . n +N 27 23 LEU 23 24 24 LEU LEU R . n +N 27 24 PRO 24 25 25 PRO PRO R . n +N 27 25 TYR 25 26 26 TYR TYR R . n +N 27 26 ALA 26 27 27 ALA ALA R . n +N 27 27 VAL 27 28 28 VAL VAL R . n +N 27 28 LYS 28 29 29 LYS LYS R . n +N 27 29 GLN 29 30 30 GLN GLN R . n +N 27 30 VAL 30 31 31 VAL VAL R . n +N 27 31 GLN 31 32 32 GLN GLN R . n +N 27 32 LYS 32 33 33 LYS LYS R . n +N 27 33 LEU 33 34 34 LEU LEU R . n +N 27 34 LEU 34 35 35 LEU LEU R . n +O 14 1 FME 1 1 1 FME FME T . n +O 14 2 GLU 2 2 2 GLU GLU T . n +O 14 3 THR 3 3 3 THR THR T . n +O 14 4 ILE 4 4 4 ILE ILE T . n +O 14 5 THR 5 5 5 THR THR T . n +O 14 6 TYR 6 6 6 TYR TYR T . n +O 14 7 VAL 7 7 7 VAL VAL T . n +O 14 8 PHE 8 8 8 PHE PHE T . n +O 14 9 ILE 9 9 9 ILE ILE T . n +O 14 10 PHE 10 10 10 PHE PHE T . n +O 14 11 ALA 11 11 11 ALA ALA T . n +O 14 12 CYS 12 12 12 CYS CYS T . n +O 14 13 ILE 13 13 13 ILE ILE T . n +O 14 14 ILE 14 14 14 ILE ILE T . n +O 14 15 ALA 15 15 15 ALA ALA T . n +O 14 16 LEU 16 16 16 LEU LEU T . n +O 14 17 PHE 17 17 17 PHE PHE T . n +O 14 18 PHE 18 18 18 PHE PHE T . n +O 14 19 PHE 19 19 19 PHE PHE T . n +O 14 20 ALA 20 20 20 ALA ALA T . n +O 14 21 ILE 21 21 21 ILE ILE T . n +O 14 22 PHE 22 22 22 PHE PHE T . n +O 14 23 PHE 23 23 23 PHE PHE T . n +O 14 24 ARG 24 24 24 ARG ARG T . n +O 14 25 GLU 25 25 25 GLU GLU T . n +O 14 26 PRO 26 26 26 PRO PRO T . n +O 14 27 PRO 27 27 27 PRO PRO T . n +O 14 28 ARG 28 28 28 ARG ARG T . n +O 14 29 ILE 29 29 29 ILE ILE T . n +O 14 30 THR 30 30 30 THR THR T . n +P 15 1 LEU 1 9 9 LEU LEU U . n +P 15 2 VAL 2 10 10 VAL VAL U . n +P 15 3 ASN 3 11 11 ASN ASN U . n +P 15 4 VAL 4 12 12 VAL VAL U . n +P 15 5 VAL 5 13 13 VAL VAL U . n +P 15 6 ASP 6 14 14 ASP ASP U . n +P 15 7 GLU 7 15 15 GLU GLU U . n +P 15 8 LYS 8 16 16 LYS LYS U . n +P 15 9 LEU 9 17 17 LEU LEU U . n +P 15 10 GLY 10 18 18 GLY GLY U . n +P 15 11 THR 11 19 19 THR THR U . n +P 15 12 ALA 12 20 20 ALA ALA U . n +P 15 13 TYR 13 21 21 TYR TYR U . n +P 15 14 GLY 14 22 22 GLY GLY U . n +P 15 15 GLU 15 23 23 GLU GLU U . n +P 15 16 LYS 16 24 24 LYS LYS U . n +P 15 17 ILE 17 25 25 ILE ILE U . n +P 15 18 ASP 18 26 26 ASP ASP U . n +P 15 19 LEU 19 27 27 LEU LEU U . n +P 15 20 ASN 20 28 28 ASN ASN U . n +P 15 21 ASN 21 29 29 ASN ASN U . n +P 15 22 THR 22 30 30 THR THR U . n +P 15 23 ASN 23 31 31 ASN ASN U . n +P 15 24 ILE 24 32 32 ILE ILE U . n +P 15 25 ALA 25 33 33 ALA ALA U . n +P 15 26 ALA 26 34 34 ALA ALA U . n +P 15 27 PHE 27 35 35 PHE PHE U . n +P 15 28 ILE 28 36 36 ILE ILE U . n +P 15 29 GLN 29 37 37 GLN GLN U . n +P 15 30 TYR 30 38 38 TYR TYR U . n +P 15 31 ARG 31 39 39 ARG ARG U . n +P 15 32 GLY 32 40 40 GLY GLY U . n +P 15 33 LEU 33 41 41 LEU LEU U . n +P 15 34 TYR 34 42 42 TYR TYR U . n +P 15 35 PRO 35 43 43 PRO PRO U . n +P 15 36 THR 36 44 44 THR THR U . n +P 15 37 LEU 37 45 45 LEU LEU U . n +P 15 38 ALA 38 46 46 ALA ALA U . n +P 15 39 LYS 39 47 47 LYS LYS U . n +P 15 40 LEU 40 48 48 LEU LEU U . n +P 15 41 ILE 41 49 49 ILE ILE U . n +P 15 42 VAL 42 50 50 VAL VAL U . n +P 15 43 LYS 43 51 51 LYS LYS U . n +P 15 44 ASN 44 52 52 ASN ASN U . n +P 15 45 ALA 45 53 53 ALA ALA U . n +P 15 46 PRO 46 54 54 PRO PRO U . n +P 15 47 TYR 47 55 55 TYR TYR U . n +P 15 48 GLU 48 56 56 GLU GLU U . n +P 15 49 SER 49 57 57 SER SER U . n +P 15 50 VAL 50 58 58 VAL VAL U . n +P 15 51 GLU 51 59 59 GLU GLU U . n +P 15 52 ASP 52 60 60 ASP ASP U . n +P 15 53 VAL 53 61 61 VAL VAL U . n +P 15 54 LEU 54 62 62 LEU LEU U . n +P 15 55 ASN 55 63 63 ASN ASN U . n +P 15 56 ILE 56 64 64 ILE ILE U . n +P 15 57 PRO 57 65 65 PRO PRO U . n +P 15 58 GLY 58 66 66 GLY GLY U . n +P 15 59 LEU 59 67 67 LEU LEU U . n +P 15 60 THR 60 68 68 THR THR U . n +P 15 61 GLU 61 69 69 GLU GLU U . n +P 15 62 ARG 62 70 70 ARG ARG U . n +P 15 63 GLN 63 71 71 GLN GLN U . n +P 15 64 LYS 64 72 72 LYS LYS U . n +P 15 65 GLN 65 73 73 GLN GLN U . n +P 15 66 ILE 66 74 74 ILE ILE U . n +P 15 67 LEU 67 75 75 LEU LEU U . n +P 15 68 ARG 68 76 76 ARG ARG U . n +P 15 69 GLU 69 77 77 GLU GLU U . n +P 15 70 ASN 70 78 78 ASN ASN U . n +P 15 71 LEU 71 79 79 LEU LEU U . n +P 15 72 GLU 72 80 80 GLU GLU U . n +P 15 73 HIS 73 81 81 HIS HIS U . n +P 15 74 PHE 74 82 82 PHE PHE U . n +P 15 75 THR 75 83 83 THR THR U . n +P 15 76 VAL 76 84 84 VAL VAL U . n +P 15 77 THR 77 85 85 THR THR U . n +P 15 78 GLU 78 86 86 GLU GLU U . n +P 15 79 VAL 79 87 87 VAL VAL U . n +P 15 80 GLU 80 88 88 GLU GLU U . n +P 15 81 THR 81 89 89 THR THR U . n +P 15 82 ALA 82 90 90 ALA ALA U . n +P 15 83 LEU 83 91 91 LEU LEU U . n +P 15 84 VAL 84 92 92 VAL VAL U . n +P 15 85 GLU 85 93 93 GLU GLU U . n +P 15 86 GLY 86 94 94 GLY GLY U . n +P 15 87 GLY 87 95 95 GLY GLY U . n +P 15 88 ASP 88 96 96 ASP ASP U . n +P 15 89 ARG 89 97 97 ARG ARG U . n +P 15 90 TYR 90 98 98 TYR TYR U . n +P 15 91 ASN 91 99 99 ASN ASN U . n +P 15 92 ASN 92 100 100 ASN ASN U . n +P 15 93 GLY 93 101 101 GLY GLY U . n +P 15 94 LEU 94 102 102 LEU LEU U . n +P 15 95 TYR 95 103 103 TYR TYR U . n +P 15 96 LYS 96 104 104 LYS LYS U . n +Q 16 1 ALA 1 1 1 ALA ALA V . n +Q 16 2 GLU 2 2 2 GLU GLU V . n +Q 16 3 LEU 3 3 3 LEU LEU V . n +Q 16 4 THR 4 4 4 THR THR V . n +Q 16 5 PRO 5 5 5 PRO PRO V . n +Q 16 6 GLU 6 6 6 GLU GLU V . n +Q 16 7 VAL 7 7 7 VAL VAL V . n +Q 16 8 LEU 8 8 8 LEU LEU V . n +Q 16 9 THR 9 9 9 THR THR V . n +Q 16 10 VAL 10 10 10 VAL VAL V . n +Q 16 11 PRO 11 11 11 PRO PRO V . n +Q 16 12 LEU 12 12 12 LEU LEU V . n +Q 16 13 ASN 13 13 13 ASN ASN V . n +Q 16 14 SER 14 14 14 SER SER V . n +Q 16 15 GLU 15 15 15 GLU GLU V . n +Q 16 16 GLY 16 16 16 GLY GLY V . n +Q 16 17 LYS 17 17 17 LYS LYS V . n +Q 16 18 THR 18 18 18 THR THR V . n +Q 16 19 ILE 19 19 19 ILE ILE V . n +Q 16 20 THR 20 20 20 THR THR V . n +Q 16 21 LEU 21 21 21 LEU LEU V . n +Q 16 22 THR 22 22 22 THR THR V . n +Q 16 23 GLU 23 23 23 GLU GLU V . n +Q 16 24 LYS 24 24 24 LYS LYS V . n +Q 16 25 GLN 25 25 25 GLN GLN V . n +Q 16 26 TYR 26 26 26 TYR TYR V . n +Q 16 27 LEU 27 27 27 LEU LEU V . n +Q 16 28 GLU 28 28 28 GLU GLU V . n +Q 16 29 GLY 29 29 29 GLY GLY V . n +Q 16 30 LYS 30 30 30 LYS LYS V . n +Q 16 31 ARG 31 31 31 ARG ARG V . n +Q 16 32 LEU 32 32 32 LEU LEU V . n +Q 16 33 PHE 33 33 33 PHE PHE V . n +Q 16 34 GLN 34 34 34 GLN GLN V . n +Q 16 35 TYR 35 35 35 TYR TYR V . n +Q 16 36 ALA 36 36 36 ALA ALA V . n +Q 16 37 CYS 37 37 37 CYS CYS V . n +Q 16 38 ALA 38 38 38 ALA ALA V . n +Q 16 39 SER 39 39 39 SER SER V . n +Q 16 40 CYS 40 40 40 CYS CYS V . n +Q 16 41 HIS 41 41 41 HIS HIS V . n +Q 16 42 VAL 42 42 42 VAL VAL V . n +Q 16 43 GLY 43 43 43 GLY GLY V . n +Q 16 44 GLY 44 44 44 GLY GLY V . n +Q 16 45 ILE 45 45 45 ILE ILE V . n +Q 16 46 THR 46 46 46 THR THR V . n +Q 16 47 LYS 47 47 47 LYS LYS V . n +Q 16 48 THR 48 48 48 THR THR V . n +Q 16 49 ASN 49 49 49 ASN ASN V . n +Q 16 50 PRO 50 50 50 PRO PRO V . n +Q 16 51 SER 51 51 51 SER SER V . n +Q 16 52 LEU 52 52 52 LEU LEU V . n +Q 16 53 ASP 53 53 53 ASP ASP V . n +Q 16 54 LEU 54 54 54 LEU LEU V . n +Q 16 55 ARG 55 55 55 ARG ARG V . n +Q 16 56 THR 56 56 56 THR THR V . n +Q 16 57 GLU 57 57 57 GLU GLU V . n +Q 16 58 THR 58 58 58 THR THR V . n +Q 16 59 LEU 59 59 59 LEU LEU V . n +Q 16 60 ALA 60 60 60 ALA ALA V . n +Q 16 61 LEU 61 61 61 LEU LEU V . n +Q 16 62 ALA 62 62 62 ALA ALA V . n +Q 16 63 THR 63 63 63 THR THR V . n +Q 16 64 PRO 64 64 64 PRO PRO V . n +Q 16 65 PRO 65 65 65 PRO PRO V . n +Q 16 66 ARG 66 66 66 ARG ARG V . n +Q 16 67 ASP 67 67 67 ASP ASP V . n +Q 16 68 ASN 68 68 68 ASN ASN V . n +Q 16 69 ILE 69 69 69 ILE ILE V . n +Q 16 70 GLU 70 70 70 GLU GLU V . n +Q 16 71 GLY 71 71 71 GLY GLY V . n +Q 16 72 LEU 72 72 72 LEU LEU V . n +Q 16 73 VAL 73 73 73 VAL VAL V . n +Q 16 74 ASP 74 74 74 ASP ASP V . n +Q 16 75 TYR 75 75 75 TYR TYR V . n +Q 16 76 MET 76 76 76 MET MET V . n +Q 16 77 LYS 77 77 77 LYS LYS V . n +Q 16 78 ASN 78 78 78 ASN ASN V . n +Q 16 79 PRO 79 79 79 PRO PRO V . n +Q 16 80 THR 80 80 80 THR THR V . n +Q 16 81 THR 81 81 81 THR THR V . n +Q 16 82 TYR 82 82 82 TYR TYR V . n +Q 16 83 ASP 83 83 83 ASP ASP V . n +Q 16 84 GLY 84 84 84 GLY GLY V . n +Q 16 85 GLU 85 85 85 GLU GLU V . n +Q 16 86 GLN 86 86 86 GLN GLN V . n +Q 16 87 GLU 87 87 87 GLU GLU V . n +Q 16 88 ILE 88 88 88 ILE ILE V . n +Q 16 89 ALA 89 89 89 ALA ALA V . n +Q 16 90 GLU 90 90 90 GLU GLU V . n +Q 16 91 VAL 91 91 91 VAL VAL V . n +Q 16 92 HIS 92 92 92 HIS HIS V . n +Q 16 93 PRO 93 93 93 PRO PRO V . n +Q 16 94 SER 94 94 94 SER SER V . n +Q 16 95 LEU 95 95 95 LEU LEU V . n +Q 16 96 ARG 96 96 96 ARG ARG V . n +Q 16 97 SER 97 97 97 SER SER V . n +Q 16 98 ALA 98 98 98 ALA ALA V . n +Q 16 99 ASP 99 99 99 ASP ASP V . n +Q 16 100 ILE 100 100 100 ILE ILE V . n +Q 16 101 PHE 101 101 101 PHE PHE V . n +Q 16 102 PRO 102 102 102 PRO PRO V . n +Q 16 103 LYS 103 103 103 LYS LYS V . n +Q 16 104 MET 104 104 104 MET MET V . n +Q 16 105 ARG 105 105 105 ARG ARG V . n +Q 16 106 ASN 106 106 106 ASN ASN V . n +Q 16 107 LEU 107 107 107 LEU LEU V . n +Q 16 108 THR 108 108 108 THR THR V . n +Q 16 109 GLU 109 109 109 GLU GLU V . n +Q 16 110 LYS 110 110 110 LYS LYS V . n +Q 16 111 ASP 111 111 111 ASP ASP V . n +Q 16 112 LEU 112 112 112 LEU LEU V . n +Q 16 113 VAL 113 113 113 VAL VAL V . n +Q 16 114 ALA 114 114 114 ALA ALA V . n +Q 16 115 ILE 115 115 115 ILE ILE V . n +Q 16 116 ALA 116 116 116 ALA ALA V . n +Q 16 117 GLY 117 117 117 GLY GLY V . n +Q 16 118 HIS 118 118 118 HIS HIS V . n +Q 16 119 ILE 119 119 119 ILE ILE V . n +Q 16 120 LEU 120 120 120 LEU LEU V . n +Q 16 121 VAL 121 121 121 VAL VAL V . n +Q 16 122 GLU 122 122 122 GLU GLU V . n +Q 16 123 PRO 123 123 123 PRO PRO V . n +Q 16 124 LYS 124 124 124 LYS LYS V . n +Q 16 125 ILE 125 125 125 ILE ILE V . n +Q 16 126 LEU 126 126 126 LEU LEU V . n +Q 16 127 GLY 127 127 127 GLY GLY V . n +Q 16 128 ASP 128 128 128 ASP ASP V . n +Q 16 129 LYS 129 129 129 LYS LYS V . n +Q 16 130 TRP 130 130 130 TRP TRP V . n +Q 16 131 GLY 131 131 131 GLY GLY V . n +Q 16 132 GLY 132 132 132 GLY GLY V . n +Q 16 133 GLY 133 133 133 GLY GLY V . n +Q 16 134 LYS 134 134 134 LYS LYS V . n +Q 16 135 VAL 135 135 135 VAL VAL V . n +Q 16 136 TYR 136 136 136 TYR TYR V . n +Q 16 137 TYR 137 137 137 TYR TYR V . n +R 17 1 THR 1 2 2 THR THR X . n +R 17 2 ILE 2 3 3 ILE ILE X . n +R 17 3 THR 3 4 4 THR THR X . n +R 17 4 PRO 4 5 5 PRO PRO X . n +R 17 5 SER 5 6 6 SER SER X . n +R 17 6 LEU 6 7 7 LEU LEU X . n +R 17 7 LYS 7 8 8 LYS LYS X . n +R 17 8 GLY 8 9 9 GLY GLY X . n +R 17 9 PHE 9 10 10 PHE PHE X . n +R 17 10 PHE 10 11 11 PHE PHE X . n +R 17 11 ILE 11 12 12 ILE ILE X . n +R 17 12 GLY 12 13 13 GLY GLY X . n +R 17 13 LEU 13 14 14 LEU LEU X . n +R 17 14 LEU 14 15 15 LEU LEU X . n +R 17 15 SER 15 16 16 SER SER X . n +R 17 16 GLY 16 17 17 GLY GLY X . n +R 17 17 ALA 17 18 18 ALA ALA X . n +R 17 18 VAL 18 19 19 VAL VAL X . n +R 17 19 VAL 19 20 20 VAL VAL X . n +R 17 20 LEU 20 21 21 LEU LEU X . n +R 17 21 GLY 21 22 22 GLY GLY X . n +R 17 22 LEU 22 23 23 LEU LEU X . n +R 17 23 THR 23 24 24 THR THR X . n +R 17 24 PHE 24 25 25 PHE PHE X . n +R 17 25 ALA 25 26 26 ALA ALA X . n +R 17 26 VAL 26 27 27 VAL VAL X . n +R 17 27 LEU 27 28 28 LEU LEU X . n +R 17 28 ILE 28 29 29 ILE ILE X . n +R 17 29 ALA 29 30 30 ALA ALA X . n +R 17 30 ILE 30 31 31 ILE ILE X . n +R 17 31 SER 31 32 32 SER SER X . n +R 17 32 GLN 32 33 33 GLN GLN X . n +R 17 33 ILE 33 34 34 ILE ILE X . n +R 17 34 ASP 34 35 35 ASP ASP X . n +R 17 35 LYS 35 36 36 LYS LYS X . n +R 17 36 VAL 36 37 37 VAL VAL X . n +R 17 37 GLN 37 38 38 GLN GLN X . n +R 17 38 ARG 38 39 39 ARG ARG X . n +S 18 1 VAL 1 18 18 VAL VAL Y . n +S 18 2 ILE 2 19 19 ILE ILE Y . n +S 18 3 ALA 3 20 20 ALA ALA Y . n +S 18 4 GLN 4 21 21 GLN GLN Y . n +S 18 5 LEU 5 22 22 LEU LEU Y . n +S 18 6 THR 6 23 23 THR THR Y . n +S 18 7 MET 7 24 24 MET MET Y . n +S 18 8 ILE 8 25 25 ILE ILE Y . n +S 18 9 ALA 9 26 26 ALA ALA Y . n +S 18 10 MET 10 27 27 MET MET Y . n +S 18 11 ILE 11 28 28 ILE ILE Y . n +S 18 12 GLY 12 29 29 GLY GLY Y . n +S 18 13 ILE 13 30 30 ILE ILE Y . n +S 18 14 ALA 14 31 31 ALA ALA Y . n +S 18 15 GLY 15 32 32 GLY GLY Y . n +S 18 16 PRO 16 33 33 PRO PRO Y . n +S 18 17 MET 17 34 34 MET MET Y . n +S 18 18 ILE 18 35 35 ILE ILE Y . n +S 18 19 ILE 19 36 36 ILE ILE Y . n +S 18 20 PHE 20 37 37 PHE PHE Y . n +S 18 21 LEU 21 38 38 LEU LEU Y . n +S 18 22 LEU 22 39 39 LEU LEU Y . n +S 18 23 ALA 23 40 40 ALA ALA Y . n +S 18 24 VAL 24 41 41 VAL VAL Y . n +S 18 25 ARG 25 42 42 ARG ARG Y . n +S 18 26 ARG 26 43 43 ARG ARG Y . n +S 18 27 GLY 27 44 44 GLY GLY Y . n +S 18 28 ASN 28 45 45 ASN ASN Y . n +S 18 29 LEU 29 46 46 LEU LEU Y . n +T 26 1 MET 1 1 1 MET MET Z . n +T 26 2 THR 2 2 2 THR THR Z . n +T 26 3 ILE 3 3 3 ILE ILE Z . n +T 26 4 LEU 4 4 4 LEU LEU Z . n +T 26 5 PHE 5 5 5 PHE PHE Z . n +T 26 6 GLN 6 6 6 GLN GLN Z . n +T 26 7 LEU 7 7 7 LEU LEU Z . n +T 26 8 ALA 8 8 8 ALA ALA Z . n +T 26 9 LEU 9 9 9 LEU LEU Z . n +T 26 10 ALA 10 10 10 ALA ALA Z . n +T 26 11 ALA 11 11 11 ALA ALA Z . n +T 26 12 LEU 12 12 12 LEU LEU Z . n +T 26 13 VAL 13 13 13 VAL VAL Z . n +T 26 14 ILE 14 14 14 ILE ILE Z . n +T 26 15 LEU 15 15 15 LEU LEU Z . n +T 26 16 SER 16 16 16 SER SER Z . n +T 26 17 PHE 17 17 17 PHE PHE Z . n +T 26 18 VAL 18 18 18 VAL VAL Z . n +T 26 19 MET 19 19 19 MET MET Z . n +T 26 20 VAL 20 20 20 VAL VAL Z . n +T 26 21 ILE 21 21 21 ILE ILE Z . n +T 26 22 GLY 22 22 22 GLY GLY Z . n +T 26 23 VAL 23 23 23 VAL VAL Z . n +T 26 24 PRO 24 24 24 PRO PRO Z . n +T 26 25 VAL 25 25 25 VAL VAL Z . n +T 26 26 ALA 26 26 26 ALA ALA Z . n +T 26 27 TYR 27 27 27 TYR TYR Z . n +T 26 28 ALA 28 28 28 ALA ALA Z . n +T 26 29 SER 29 29 29 SER SER Z . n +T 26 30 PRO 30 30 30 PRO PRO Z . n +T 26 31 GLN 31 31 31 GLN GLN Z . n +T 26 32 ASP 32 32 32 ASP ASP Z . n +T 26 33 TRP 33 33 33 TRP TRP Z . n +T 26 34 ASP 34 34 34 ASP ASP Z . n +T 26 35 ARG 35 35 35 ARG ARG Z . n +T 26 36 SER 36 36 36 SER SER Z . n +T 26 37 LYS 37 37 37 LYS LYS Z . n +T 26 38 GLN 38 38 38 GLN GLN Z . n +T 26 39 LEU 39 39 39 LEU LEU Z . n +T 26 40 ILE 40 40 40 ILE ILE Z . n +T 26 41 PHE 41 41 41 PHE PHE Z . n +T 26 42 LEU 42 42 42 LEU LEU Z . n +T 26 43 GLY 43 43 43 GLY GLY Z . n +T 26 44 SER 44 44 44 SER SER Z . n +T 26 45 GLY 45 45 45 GLY GLY Z . n +T 26 46 LEU 46 46 46 LEU LEU Z . n +T 26 47 TRP 47 47 47 TRP TRP Z . n +T 26 48 ILE 48 48 48 ILE ILE Z . n +T 26 49 ALA 49 49 49 ALA ALA Z . n +T 26 50 LEU 50 50 50 LEU LEU Z . n +T 26 51 VAL 51 51 51 VAL VAL Z . n +T 26 52 LEU 52 52 52 LEU LEU Z . n +T 26 53 VAL 53 53 53 VAL VAL Z . n +T 26 54 VAL 54 54 54 VAL VAL Z . n +T 26 55 GLY 55 55 55 GLY GLY Z . n +T 26 56 VAL 56 56 56 VAL VAL Z . n +T 26 57 LEU 57 57 57 LEU LEU Z . n +T 26 58 ASN 58 58 58 ASN ASN Z . n +T 26 59 PHE 59 59 59 PHE PHE Z . n +T 26 60 PHE 60 60 60 PHE PHE Z . n +T 26 61 VAL 61 61 61 VAL VAL Z . n +T 26 62 VAL 62 62 62 VAL VAL Z . n +U 1 1 ALA 1 11 11 ALA ALA a . n +U 1 2 ASN 2 12 12 ASN ASN a . n +U 1 3 LEU 3 13 13 LEU LEU a . n +U 1 4 TRP 4 14 14 TRP TRP a . n +U 1 5 GLU 5 15 15 GLU GLU a . n +U 1 6 ARG 6 16 16 ARG ARG a . n +U 1 7 PHE 7 17 17 PHE PHE a . n +U 1 8 CYS 8 18 18 CYS CYS a . n +U 1 9 ASN 9 19 19 ASN ASN a . n +U 1 10 TRP 10 20 20 TRP TRP a . n +U 1 11 VAL 11 21 21 VAL VAL a . n +U 1 12 THR 12 22 22 THR THR a . n +U 1 13 SER 13 23 23 SER SER a . n +U 1 14 THR 14 24 24 THR THR a . n +U 1 15 ASP 15 25 25 ASP ASP a . n +U 1 16 ASN 16 26 26 ASN ASN a . n +U 1 17 ARG 17 27 27 ARG ARG a . n +U 1 18 LEU 18 28 28 LEU LEU a . n +U 1 19 TYR 19 29 29 TYR TYR a . n +U 1 20 VAL 20 30 30 VAL VAL a . n +U 1 21 GLY 21 31 31 GLY GLY a . n +U 1 22 TRP 22 32 32 TRP TRP a . n +U 1 23 PHE 23 33 33 PHE PHE a . n +U 1 24 GLY 24 34 34 GLY GLY a . n +U 1 25 VAL 25 35 35 VAL VAL a . n +U 1 26 ILE 26 36 36 ILE ILE a . n +U 1 27 MET 27 37 37 MET MET a . n +U 1 28 ILE 28 38 38 ILE ILE a . n +U 1 29 PRO 29 39 39 PRO PRO a . n +U 1 30 THR 30 40 40 THR THR a . n +U 1 31 LEU 31 41 41 LEU LEU a . n +U 1 32 LEU 32 42 42 LEU LEU a . n +U 1 33 ALA 33 43 43 ALA ALA a . n +U 1 34 ALA 34 44 44 ALA ALA a . n +U 1 35 THR 35 45 45 THR THR a . n +U 1 36 ILE 36 46 46 ILE ILE a . n +U 1 37 CYS 37 47 47 CYS CYS a . n +U 1 38 PHE 38 48 48 PHE PHE a . n +U 1 39 VAL 39 49 49 VAL VAL a . n +U 1 40 ILE 40 50 50 ILE ILE a . n +U 1 41 ALA 41 51 51 ALA ALA a . n +U 1 42 PHE 42 52 52 PHE PHE a . n +U 1 43 ILE 43 53 53 ILE ILE a . n +U 1 44 ALA 44 54 54 ALA ALA a . n +U 1 45 ALA 45 55 55 ALA ALA a . n +U 1 46 PRO 46 56 56 PRO PRO a . n +U 1 47 PRO 47 57 57 PRO PRO a . n +U 1 48 VAL 48 58 58 VAL VAL a . n +U 1 49 ASP 49 59 59 ASP ASP a . n +U 1 50 ILE 50 60 60 ILE ILE a . n +U 1 51 ASP 51 61 61 ASP ASP a . n +U 1 52 GLY 52 62 62 GLY GLY a . n +U 1 53 ILE 53 63 63 ILE ILE a . n +U 1 54 ARG 54 64 64 ARG ARG a . n +U 1 55 GLU 55 65 65 GLU GLU a . n +U 1 56 PRO 56 66 66 PRO PRO a . n +U 1 57 VAL 57 67 67 VAL VAL a . n +U 1 58 SER 58 68 68 SER SER a . n +U 1 59 GLY 59 69 69 GLY GLY a . n +U 1 60 SER 60 70 70 SER SER a . n +U 1 61 LEU 61 71 71 LEU LEU a . n +U 1 62 LEU 62 72 72 LEU LEU a . n +U 1 63 TYR 63 73 73 TYR TYR a . n +U 1 64 GLY 64 74 74 GLY GLY a . n +U 1 65 ASN 65 75 75 ASN ASN a . n +U 1 66 ASN 66 76 76 ASN ASN a . n +U 1 67 ILE 67 77 77 ILE ILE a . n +U 1 68 ILE 68 78 78 ILE ILE a . n +U 1 69 THR 69 79 79 THR THR a . n +U 1 70 GLY 70 80 80 GLY GLY a . n +U 1 71 ALA 71 81 81 ALA ALA a . n +U 1 72 VAL 72 82 82 VAL VAL a . n +U 1 73 VAL 73 83 83 VAL VAL a . n +U 1 74 PRO 74 84 84 PRO PRO a . n +U 1 75 SER 75 85 85 SER SER a . n +U 1 76 SER 76 86 86 SER SER a . n +U 1 77 ASN 77 87 87 ASN ASN a . n +U 1 78 ALA 78 88 88 ALA ALA a . n +U 1 79 ILE 79 89 89 ILE ILE a . n +U 1 80 GLY 80 90 90 GLY GLY a . n +U 1 81 LEU 81 91 91 LEU LEU a . n +U 1 82 HIS 82 92 92 HIS HIS a . n +U 1 83 PHE 83 93 93 PHE PHE a . n +U 1 84 TYR 84 94 94 TYR TYR a . n +U 1 85 PRO 85 95 95 PRO PRO a . n +U 1 86 ILE 86 96 96 ILE ILE a . n +U 1 87 TRP 87 97 97 TRP TRP a . n +U 1 88 GLU 88 98 98 GLU GLU a . n +U 1 89 ALA 89 99 99 ALA ALA a . n +U 1 90 ALA 90 100 100 ALA ALA a . n +U 1 91 SER 91 101 101 SER SER a . n +U 1 92 LEU 92 102 102 LEU LEU a . n +U 1 93 ASP 93 103 103 ASP ASP a . n +U 1 94 GLU 94 104 104 GLU GLU a . n +U 1 95 TRP 95 105 105 TRP TRP a . n +U 1 96 LEU 96 106 106 LEU LEU a . n +U 1 97 TYR 97 107 107 TYR TYR a . n +U 1 98 ASN 98 108 108 ASN ASN a . n +U 1 99 GLY 99 109 109 GLY GLY a . n +U 1 100 GLY 100 110 110 GLY GLY a . n +U 1 101 PRO 101 111 111 PRO PRO a . n +U 1 102 TYR 102 112 112 TYR TYR a . n +U 1 103 GLN 103 113 113 GLN GLN a . n +U 1 104 LEU 104 114 114 LEU LEU a . n +U 1 105 ILE 105 115 115 ILE ILE a . n +U 1 106 ILE 106 116 116 ILE ILE a . n +U 1 107 PHE 107 117 117 PHE PHE a . n +U 1 108 HIS 108 118 118 HIS HIS a . n +U 1 109 PHE 109 119 119 PHE PHE a . n +U 1 110 LEU 110 120 120 LEU LEU a . n +U 1 111 LEU 111 121 121 LEU LEU a . n +U 1 112 GLY 112 122 122 GLY GLY a . n +U 1 113 ALA 113 123 123 ALA ALA a . n +U 1 114 SER 114 124 124 SER SER a . n +U 1 115 CYS 115 125 125 CYS CYS a . n +U 1 116 TYR 116 126 126 TYR TYR a . n +U 1 117 MET 117 127 127 MET MET a . n +U 1 118 GLY 118 128 128 GLY GLY a . n +U 1 119 ARG 119 129 129 ARG ARG a . n +U 1 120 GLN 120 130 130 GLN GLN a . n +U 1 121 TRP 121 131 131 TRP TRP a . n +U 1 122 GLU 122 132 132 GLU GLU a . n +U 1 123 LEU 123 133 133 LEU LEU a . n +U 1 124 SER 124 134 134 SER SER a . n +U 1 125 TYR 125 135 135 TYR TYR a . n +U 1 126 ARG 126 136 136 ARG ARG a . n +U 1 127 LEU 127 137 137 LEU LEU a . n +U 1 128 GLY 128 138 138 GLY GLY a . n +U 1 129 MET 129 139 139 MET MET a . n +U 1 130 ARG 130 140 140 ARG ARG a . n +U 1 131 PRO 131 141 141 PRO PRO a . n +U 1 132 TRP 132 142 142 TRP TRP a . n +U 1 133 ILE 133 143 143 ILE ILE a . n +U 1 134 CYS 134 144 144 CYS CYS a . n +U 1 135 VAL 135 145 145 VAL VAL a . n +U 1 136 ALA 136 146 146 ALA ALA a . n +U 1 137 TYR 137 147 147 TYR TYR a . n +U 1 138 SER 138 148 148 SER SER a . n +U 1 139 ALA 139 149 149 ALA ALA a . n +U 1 140 PRO 140 150 150 PRO PRO a . n +U 1 141 LEU 141 151 151 LEU LEU a . n +U 1 142 ALA 142 152 152 ALA ALA a . n +U 1 143 SER 143 153 153 SER SER a . n +U 1 144 ALA 144 154 154 ALA ALA a . n +U 1 145 PHE 145 155 155 PHE PHE a . n +U 1 146 ALA 146 156 156 ALA ALA a . n +U 1 147 VAL 147 157 157 VAL VAL a . n +U 1 148 PHE 148 158 158 PHE PHE a . n +U 1 149 LEU 149 159 159 LEU LEU a . n +U 1 150 ILE 150 160 160 ILE ILE a . n +U 1 151 TYR 151 161 161 TYR TYR a . n +U 1 152 PRO 152 162 162 PRO PRO a . n +U 1 153 ILE 153 163 163 ILE ILE a . n +U 1 154 GLY 154 164 164 GLY GLY a . n +U 1 155 GLN 155 165 165 GLN GLN a . n +U 1 156 GLY 156 166 166 GLY GLY a . n +U 1 157 SER 157 167 167 SER SER a . n +U 1 158 PHE 158 168 168 PHE PHE a . n +U 1 159 SER 159 169 169 SER SER a . n +U 1 160 ASP 160 170 170 ASP ASP a . n +U 1 161 GLY 161 171 171 GLY GLY a . n +U 1 162 MET 162 172 172 MET MET a . n +U 1 163 PRO 163 173 173 PRO PRO a . n +U 1 164 LEU 164 174 174 LEU LEU a . n +U 1 165 GLY 165 175 175 GLY GLY a . n +U 1 166 ILE 166 176 176 ILE ILE a . n +U 1 167 SER 167 177 177 SER SER a . n +U 1 168 GLY 168 178 178 GLY GLY a . n +U 1 169 THR 169 179 179 THR THR a . n +U 1 170 PHE 170 180 180 PHE PHE a . n +U 1 171 ASN 171 181 181 ASN ASN a . n +U 1 172 PHE 172 182 182 PHE PHE a . n +U 1 173 MET 173 183 183 MET MET a . n +U 1 174 ILE 174 184 184 ILE ILE a . n +U 1 175 VAL 175 185 185 VAL VAL a . n +U 1 176 PHE 176 186 186 PHE PHE a . n +U 1 177 GLN 177 187 187 GLN GLN a . n +U 1 178 ALA 178 188 188 ALA ALA a . n +U 1 179 GLU 179 189 189 GLU GLU a . n +U 1 180 HIS 180 190 190 HIS HIS a . n +U 1 181 ASN 181 191 191 ASN ASN a . n +U 1 182 ILE 182 192 192 ILE ILE a . n +U 1 183 LEU 183 193 193 LEU LEU a . n +U 1 184 MET 184 194 194 MET MET a . n +U 1 185 HIS 185 195 195 HIS HIS a . n +U 1 186 PRO 186 196 196 PRO PRO a . n +U 1 187 PHE 187 197 197 PHE PHE a . n +U 1 188 HIS 188 198 198 HIS HIS a . n +U 1 189 GLN 189 199 199 GLN GLN a . n +U 1 190 LEU 190 200 200 LEU LEU a . n +U 1 191 GLY 191 201 201 GLY GLY a . n +U 1 192 VAL 192 202 202 VAL VAL a . n +U 1 193 ALA 193 203 203 ALA ALA a . n +U 1 194 GLY 194 204 204 GLY GLY a . n +U 1 195 VAL 195 205 205 VAL VAL a . n +U 1 196 PHE 196 206 206 PHE PHE a . n +U 1 197 GLY 197 207 207 GLY GLY a . n +U 1 198 GLY 198 208 208 GLY GLY a . n +U 1 199 ALA 199 209 209 ALA ALA a . n +U 1 200 LEU 200 210 210 LEU LEU a . n +U 1 201 PHE 201 211 211 PHE PHE a . n +U 1 202 CYS 202 212 212 CYS CYS a . n +U 1 203 ALA 203 213 213 ALA ALA a . n +U 1 204 MET 204 214 214 MET MET a . n +U 1 205 HIS 205 215 215 HIS HIS a . n +U 1 206 GLY 206 216 216 GLY GLY a . n +U 1 207 SER 207 217 217 SER SER a . n +U 1 208 LEU 208 218 218 LEU LEU a . n +U 1 209 VAL 209 219 219 VAL VAL a . n +U 1 210 THR 210 220 220 THR THR a . n +U 1 211 SER 211 221 221 SER SER a . n +U 1 212 SER 212 222 222 SER SER a . n +U 1 213 LEU 213 223 223 LEU LEU a . n +U 1 214 ILE 214 224 224 ILE ILE a . n +U 1 215 ARG 215 225 225 ARG ARG a . n +U 1 216 GLU 216 226 226 GLU GLU a . n +U 1 217 THR 217 227 227 THR THR a . n +U 1 218 THR 218 228 228 THR THR a . n +U 1 219 GLU 219 229 229 GLU GLU a . n +U 1 220 THR 220 230 230 THR THR a . n +U 1 221 GLU 221 231 231 GLU GLU a . n +U 1 222 SER 222 232 232 SER SER a . n +U 1 223 ALA 223 233 233 ALA ALA a . n +U 1 224 ASN 224 234 234 ASN ASN a . n +U 1 225 TYR 225 235 235 TYR TYR a . n +U 1 226 GLY 226 236 236 GLY GLY a . n +U 1 227 TYR 227 237 237 TYR TYR a . n +U 1 228 LYS 228 238 238 LYS LYS a . n +U 1 229 PHE 229 239 239 PHE PHE a . n +U 1 230 GLY 230 240 240 GLY GLY a . n +U 1 231 GLN 231 241 241 GLN GLN a . n +U 1 232 GLU 232 242 242 GLU GLU a . n +U 1 233 GLU 233 243 243 GLU GLU a . n +U 1 234 GLU 234 244 244 GLU GLU a . n +U 1 235 THR 235 245 245 THR THR a . n +U 1 236 TYR 236 246 246 TYR TYR a . n +U 1 237 ASN 237 247 247 ASN ASN a . n +U 1 238 ILE 238 248 248 ILE ILE a . n +U 1 239 VAL 239 249 249 VAL VAL a . n +U 1 240 ALA 240 250 250 ALA ALA a . n +U 1 241 ALA 241 251 251 ALA ALA a . n +U 1 242 HIS 242 252 252 HIS HIS a . n +U 1 243 GLY 243 253 253 GLY GLY a . n +U 1 244 TYR 244 254 254 TYR TYR a . n +U 1 245 PHE 245 255 255 PHE PHE a . n +U 1 246 GLY 246 256 256 GLY GLY a . n +U 1 247 ARG 247 257 257 ARG ARG a . n +U 1 248 LEU 248 258 258 LEU LEU a . n +U 1 249 ILE 249 259 259 ILE ILE a . n +U 1 250 PHE 250 260 260 PHE PHE a . n +U 1 251 GLN 251 261 261 GLN GLN a . n +U 1 252 TYR 252 262 262 TYR TYR a . n +U 1 253 ALA 253 263 263 ALA ALA a . n +U 1 254 SER 254 264 264 SER SER a . n +U 1 255 PHE 255 265 265 PHE PHE a . n +U 1 256 ASN 256 266 266 ASN ASN a . n +U 1 257 ASN 257 267 267 ASN ASN a . n +U 1 258 SER 258 268 268 SER SER a . n +U 1 259 ARG 259 269 269 ARG ARG a . n +U 1 260 SER 260 270 270 SER SER a . n +U 1 261 LEU 261 271 271 LEU LEU a . n +U 1 262 HIS 262 272 272 HIS HIS a . n +U 1 263 PHE 263 273 273 PHE PHE a . n +U 1 264 PHE 264 274 274 PHE PHE a . n +U 1 265 LEU 265 275 275 LEU LEU a . n +U 1 266 ALA 266 276 276 ALA ALA a . n +U 1 267 ALA 267 277 277 ALA ALA a . n +U 1 268 TRP 268 278 278 TRP TRP a . n +U 1 269 PRO 269 279 279 PRO PRO a . n +U 1 270 VAL 270 280 280 VAL VAL a . n +U 1 271 VAL 271 281 281 VAL VAL a . n +U 1 272 GLY 272 282 282 GLY GLY a . n +U 1 273 VAL 273 283 283 VAL VAL a . n +U 1 274 TRP 274 284 284 TRP TRP a . n +U 1 275 PHE 275 285 285 PHE PHE a . n +U 1 276 ALA 276 286 286 ALA ALA a . n +U 1 277 ALA 277 287 287 ALA ALA a . n +U 1 278 LEU 278 288 288 LEU LEU a . n +U 1 279 GLY 279 289 289 GLY GLY a . n +U 1 280 ILE 280 290 290 ILE ILE a . n +U 1 281 SER 281 291 291 SER SER a . n +U 1 282 THR 282 292 292 THR THR a . n +U 1 283 MET 283 293 293 MET MET a . n +U 1 284 ALA 284 294 294 ALA ALA a . n +U 1 285 PHE 285 295 295 PHE PHE a . n +U 1 286 ASN 286 296 296 ASN ASN a . n +U 1 287 LEU 287 297 297 LEU LEU a . n +U 1 288 ASN 288 298 298 ASN ASN a . n +U 1 289 GLY 289 299 299 GLY GLY a . n +U 1 290 PHE 290 300 300 PHE PHE a . n +U 1 291 ASN 291 301 301 ASN ASN a . n +U 1 292 PHE 292 302 302 PHE PHE a . n +U 1 293 ASN 293 303 303 ASN ASN a . n +U 1 294 HIS 294 304 304 HIS HIS a . n +U 1 295 SER 295 305 305 SER SER a . n +U 1 296 VAL 296 306 306 VAL VAL a . n +U 1 297 ILE 297 307 307 ILE ILE a . n +U 1 298 ASP 298 308 308 ASP ASP a . n +U 1 299 ALA 299 309 309 ALA ALA a . n +U 1 300 LYS 300 310 310 LYS LYS a . n +U 1 301 GLY 301 311 311 GLY GLY a . n +U 1 302 ASN 302 312 312 ASN ASN a . n +U 1 303 VAL 303 313 313 VAL VAL a . n +U 1 304 ILE 304 314 314 ILE ILE a . n +U 1 305 ASN 305 315 315 ASN ASN a . n +U 1 306 THR 306 316 316 THR THR a . n +U 1 307 TRP 307 317 317 TRP TRP a . n +U 1 308 ALA 308 318 318 ALA ALA a . n +U 1 309 ASP 309 319 319 ASP ASP a . n +U 1 310 ILE 310 320 320 ILE ILE a . n +U 1 311 ILE 311 321 321 ILE ILE a . n +U 1 312 ASN 312 322 322 ASN ASN a . n +U 1 313 ARG 313 323 323 ARG ARG a . n +U 1 314 ALA 314 324 324 ALA ALA a . n +U 1 315 ASN 315 325 325 ASN ASN a . n +U 1 316 LEU 316 326 326 LEU LEU a . n +U 1 317 GLY 317 327 327 GLY GLY a . n +U 1 318 MET 318 328 328 MET MET a . n +U 1 319 GLU 319 329 329 GLU GLU a . n +U 1 320 VAL 320 330 330 VAL VAL a . n +U 1 321 MET 321 331 331 MET MET a . n +U 1 322 HIS 322 332 332 HIS HIS a . n +U 1 323 GLU 323 333 333 GLU GLU a . n +U 1 324 ARG 324 334 334 ARG ARG a . n +U 1 325 ASN 325 335 335 ASN ASN a . n +U 1 326 ALA 326 336 336 ALA ALA a . n +U 1 327 HIS 327 337 337 HIS HIS a . n +U 1 328 ASN 328 338 338 ASN ASN a . n +U 1 329 PHE 329 339 339 PHE PHE a . n +U 1 330 PRO 330 340 340 PRO PRO a . n +U 1 331 LEU 331 341 341 LEU LEU a . n +U 1 332 ASP 332 342 342 ASP ASP a . n +U 1 333 LEU 333 343 343 LEU LEU a . n +U 1 334 ALA 334 344 344 ALA ALA a . n +V 2 1 GLY 1 2 2 GLY GLY b . n +V 2 2 LEU 2 3 3 LEU LEU b . n +V 2 3 PRO 3 4 4 PRO PRO b . n +V 2 4 TRP 4 5 5 TRP TRP b . n +V 2 5 TYR 5 6 6 TYR TYR b . n +V 2 6 ARG 6 7 7 ARG ARG b . n +V 2 7 VAL 7 8 8 VAL VAL b . n +V 2 8 HIS 8 9 9 HIS HIS b . n +V 2 9 THR 9 10 10 THR THR b . n +V 2 10 VAL 10 11 11 VAL VAL b . n +V 2 11 LEU 11 12 12 LEU LEU b . n +V 2 12 ILE 12 13 13 ILE ILE b . n +V 2 13 ASN 13 14 14 ASN ASN b . n +V 2 14 ASP 14 15 15 ASP ASP b . n +V 2 15 PRO 15 16 16 PRO PRO b . n +V 2 16 GLY 16 17 17 GLY GLY b . n +V 2 17 ARG 17 18 18 ARG ARG b . n +V 2 18 LEU 18 19 19 LEU LEU b . n +V 2 19 ILE 19 20 20 ILE ILE b . n +V 2 20 ALA 20 21 21 ALA ALA b . n +V 2 21 ALA 21 22 22 ALA ALA b . n +V 2 22 HIS 22 23 23 HIS HIS b . n +V 2 23 LEU 23 24 24 LEU LEU b . n +V 2 24 MET 24 25 25 MET MET b . n +V 2 25 HIS 25 26 26 HIS HIS b . n +V 2 26 THR 26 27 27 THR THR b . n +V 2 27 ALA 27 28 28 ALA ALA b . n +V 2 28 LEU 28 29 29 LEU LEU b . n +V 2 29 VAL 29 30 30 VAL VAL b . n +V 2 30 ALA 30 31 31 ALA ALA b . n +V 2 31 GLY 31 32 32 GLY GLY b . n +V 2 32 TRP 32 33 33 TRP TRP b . n +V 2 33 ALA 33 34 34 ALA ALA b . n +V 2 34 GLY 34 35 35 GLY GLY b . n +V 2 35 SER 35 36 36 SER SER b . n +V 2 36 MET 36 37 37 MET MET b . n +V 2 37 ALA 37 38 38 ALA ALA b . n +V 2 38 LEU 38 39 39 LEU LEU b . n +V 2 39 TYR 39 40 40 TYR TYR b . n +V 2 40 GLU 40 41 41 GLU GLU b . n +V 2 41 LEU 41 42 42 LEU LEU b . n +V 2 42 ALA 42 43 43 ALA ALA b . n +V 2 43 THR 43 44 44 THR THR b . n +V 2 44 PHE 44 45 45 PHE PHE b . n +V 2 45 ASP 45 46 46 ASP ASP b . n +V 2 46 PRO 46 47 47 PRO PRO b . n +V 2 47 SER 47 48 48 SER SER b . n +V 2 48 ASP 48 49 49 ASP ASP b . n +V 2 49 PRO 49 50 50 PRO PRO b . n +V 2 50 VAL 50 51 51 VAL VAL b . n +V 2 51 LEU 51 52 52 LEU LEU b . n +V 2 52 ASN 52 53 53 ASN ASN b . n +V 2 53 PRO 53 54 54 PRO PRO b . n +V 2 54 MET 54 55 55 MET MET b . n +V 2 55 TRP 55 56 56 TRP TRP b . n +V 2 56 ARG 56 57 57 ARG ARG b . n +V 2 57 GLN 57 58 58 GLN GLN b . n +V 2 58 GLY 58 59 59 GLY GLY b . n +V 2 59 MET 59 60 60 MET MET b . n +V 2 60 PHE 60 61 61 PHE PHE b . n +V 2 61 VAL 61 62 62 VAL VAL b . n +V 2 62 LEU 62 63 63 LEU LEU b . n +V 2 63 PRO 63 64 64 PRO PRO b . n +V 2 64 PHE 64 65 65 PHE PHE b . n +V 2 65 MET 65 66 66 MET MET b . n +V 2 66 ALA 66 67 67 ALA ALA b . n +V 2 67 ARG 67 68 68 ARG ARG b . n +V 2 68 LEU 68 69 69 LEU LEU b . n +V 2 69 GLY 69 70 70 GLY GLY b . n +V 2 70 VAL 70 71 71 VAL VAL b . n +V 2 71 THR 71 72 72 THR THR b . n +V 2 72 GLY 72 73 73 GLY GLY b . n +V 2 73 SER 73 74 74 SER SER b . n +V 2 74 TRP 74 75 75 TRP TRP b . n +V 2 75 SER 75 76 76 SER SER b . n +V 2 76 GLY 76 77 77 GLY GLY b . n +V 2 77 TRP 77 78 78 TRP TRP b . n +V 2 78 SER 78 79 79 SER SER b . n +V 2 79 ILE 79 80 80 ILE ILE b . n +V 2 80 THR 80 81 81 THR THR b . n +V 2 81 GLY 81 82 82 GLY GLY b . n +V 2 82 GLU 82 83 83 GLU GLU b . n +V 2 83 THR 83 84 84 THR THR b . n +V 2 84 GLY 84 85 85 GLY GLY b . n +V 2 85 ILE 85 86 86 ILE ILE b . n +V 2 86 ASP 86 87 87 ASP ASP b . n +V 2 87 PRO 87 88 88 PRO PRO b . n +V 2 88 GLY 88 89 89 GLY GLY b . n +V 2 89 PHE 89 90 90 PHE PHE b . n +V 2 90 TRP 90 91 91 TRP TRP b . n +V 2 91 SER 91 92 92 SER SER b . n +V 2 92 PHE 92 93 93 PHE PHE b . n +V 2 93 GLU 93 94 94 GLU GLU b . n +V 2 94 GLY 94 95 95 GLY GLY b . n +V 2 95 VAL 95 96 96 VAL VAL b . n +V 2 96 ALA 96 97 97 ALA ALA b . n +V 2 97 LEU 97 98 98 LEU LEU b . n +V 2 98 ALA 98 99 99 ALA ALA b . n +V 2 99 HIS 99 100 100 HIS HIS b . n +V 2 100 ILE 100 101 101 ILE ILE b . n +V 2 101 VAL 101 102 102 VAL VAL b . n +V 2 102 LEU 102 103 103 LEU LEU b . n +V 2 103 SER 103 104 104 SER SER b . n +V 2 104 GLY 104 105 105 GLY GLY b . n +V 2 105 LEU 105 106 106 LEU LEU b . n +V 2 106 LEU 106 107 107 LEU LEU b . n +V 2 107 PHE 107 108 108 PHE PHE b . n +V 2 108 LEU 108 109 109 LEU LEU b . n +V 2 109 ALA 109 110 110 ALA ALA b . n +V 2 110 ALA 110 111 111 ALA ALA b . n +V 2 111 CYS 111 112 112 CYS CYS b . n +V 2 112 TRP 112 113 113 TRP TRP b . n +V 2 113 HIS 113 114 114 HIS HIS b . n +V 2 114 TRP 114 115 115 TRP TRP b . n +V 2 115 VAL 115 116 116 VAL VAL b . n +V 2 116 TYR 116 117 117 TYR TYR b . n +V 2 117 TRP 117 118 118 TRP TRP b . n +V 2 118 ASP 118 119 119 ASP ASP b . n +V 2 119 LEU 119 120 120 LEU LEU b . n +V 2 120 GLU 120 121 121 GLU GLU b . n +V 2 121 LEU 121 122 122 LEU LEU b . n +V 2 122 PHE 122 123 123 PHE PHE b . n +V 2 123 ARG 123 124 124 ARG ARG b . n +V 2 124 ASP 124 125 125 ASP ASP b . n +V 2 125 PRO 125 126 126 PRO PRO b . n +V 2 126 ARG 126 127 127 ARG ARG b . n +V 2 127 THR 127 128 128 THR THR b . n +V 2 128 GLY 128 129 129 GLY GLY b . n +V 2 129 GLU 129 130 130 GLU GLU b . n +V 2 130 PRO 130 131 131 PRO PRO b . n +V 2 131 ALA 131 132 132 ALA ALA b . n +V 2 132 LEU 132 133 133 LEU LEU b . n +V 2 133 ASP 133 134 134 ASP ASP b . n +V 2 134 LEU 134 135 135 LEU LEU b . n +V 2 135 PRO 135 136 136 PRO PRO b . n +V 2 136 LYS 136 137 137 LYS LYS b . n +V 2 137 MET 137 138 138 MET MET b . n +V 2 138 PHE 138 139 139 PHE PHE b . n +V 2 139 GLY 139 140 140 GLY GLY b . n +V 2 140 ILE 140 141 141 ILE ILE b . n +V 2 141 HIS 141 142 142 HIS HIS b . n +V 2 142 LEU 142 143 143 LEU LEU b . n +V 2 143 PHE 143 144 144 PHE PHE b . n +V 2 144 LEU 144 145 145 LEU LEU b . n +V 2 145 ALA 145 146 146 ALA ALA b . n +V 2 146 GLY 146 147 147 GLY GLY b . n +V 2 147 LEU 147 148 148 LEU LEU b . n +V 2 148 LEU 148 149 149 LEU LEU b . n +V 2 149 CYS 149 150 150 CYS CYS b . n +V 2 150 PHE 150 151 151 PHE PHE b . n +V 2 151 GLY 151 152 152 GLY GLY b . n +V 2 152 PHE 152 153 153 PHE PHE b . n +V 2 153 GLY 153 154 154 GLY GLY b . n +V 2 154 ALA 154 155 155 ALA ALA b . n +V 2 155 PHE 155 156 156 PHE PHE b . n +V 2 156 HIS 156 157 157 HIS HIS b . n +V 2 157 LEU 157 158 158 LEU LEU b . n +V 2 158 THR 158 159 159 THR THR b . n +V 2 159 GLY 159 160 160 GLY GLY b . n +V 2 160 LEU 160 161 161 LEU LEU b . n +V 2 161 PHE 161 162 162 PHE PHE b . n +V 2 162 GLY 162 163 163 GLY GLY b . n +V 2 163 PRO 163 164 164 PRO PRO b . n +V 2 164 GLY 164 165 165 GLY GLY b . n +V 2 165 MET 165 166 166 MET MET b . n +V 2 166 TRP 166 167 167 TRP TRP b . n +V 2 167 VAL 167 168 168 VAL VAL b . n +V 2 168 SER 168 169 169 SER SER b . n +V 2 169 ASP 169 170 170 ASP ASP b . n +V 2 170 PRO 170 171 171 PRO PRO b . n +V 2 171 TYR 171 172 172 TYR TYR b . n +V 2 172 GLY 172 173 173 GLY GLY b . n +V 2 173 LEU 173 174 174 LEU LEU b . n +V 2 174 THR 174 175 175 THR THR b . n +V 2 175 GLY 175 176 176 GLY GLY b . n +V 2 176 SER 176 177 177 SER SER b . n +V 2 177 VAL 177 178 178 VAL VAL b . n +V 2 178 GLN 178 179 179 GLN GLN b . n +V 2 179 PRO 179 180 180 PRO PRO b . n +V 2 180 VAL 180 181 181 VAL VAL b . n +V 2 181 ALA 181 182 182 ALA ALA b . n +V 2 182 PRO 182 183 183 PRO PRO b . n +V 2 183 GLU 183 184 184 GLU GLU b . n +V 2 184 TRP 184 185 185 TRP TRP b . n +V 2 185 GLY 185 186 186 GLY GLY b . n +V 2 186 PRO 186 187 187 PRO PRO b . n +V 2 187 ASP 187 188 188 ASP ASP b . n +V 2 188 GLY 188 189 189 GLY GLY b . n +V 2 189 PHE 189 190 190 PHE PHE b . n +V 2 190 ASN 190 191 191 ASN ASN b . n +V 2 191 PRO 191 192 192 PRO PRO b . n +V 2 192 TYR 192 193 193 TYR TYR b . n +V 2 193 ASN 193 194 194 ASN ASN b . n +V 2 194 PRO 194 195 195 PRO PRO b . n +V 2 195 GLY 195 196 196 GLY GLY b . n +V 2 196 GLY 196 197 197 GLY GLY b . n +V 2 197 VAL 197 198 198 VAL VAL b . n +V 2 198 VAL 198 199 199 VAL VAL b . n +V 2 199 ALA 199 200 200 ALA ALA b . n +V 2 200 HIS 200 201 201 HIS HIS b . n +V 2 201 HIS 201 202 202 HIS HIS b . n +V 2 202 ILE 202 203 203 ILE ILE b . n +V 2 203 ALA 203 204 204 ALA ALA b . n +V 2 204 ALA 204 205 205 ALA ALA b . n +V 2 205 GLY 205 206 206 GLY GLY b . n +V 2 206 ILE 206 207 207 ILE ILE b . n +V 2 207 VAL 207 208 208 VAL VAL b . n +V 2 208 GLY 208 209 209 GLY GLY b . n +V 2 209 ILE 209 210 210 ILE ILE b . n +V 2 210 ILE 210 211 211 ILE ILE b . n +V 2 211 ALA 211 212 212 ALA ALA b . n +V 2 212 GLY 212 213 213 GLY GLY b . n +V 2 213 LEU 213 214 214 LEU LEU b . n +V 2 214 PHE 214 215 215 PHE PHE b . n +V 2 215 HIS 215 216 216 HIS HIS b . n +V 2 216 ILE 216 217 217 ILE ILE b . n +V 2 217 LEU 217 218 218 LEU LEU b . n +V 2 218 VAL 218 219 219 VAL VAL b . n +V 2 219 ARG 219 220 220 ARG ARG b . n +V 2 220 PRO 220 221 221 PRO PRO b . n +V 2 221 PRO 221 222 222 PRO PRO b . n +V 2 222 GLN 222 223 223 GLN GLN b . n +V 2 223 ARG 223 224 224 ARG ARG b . n +V 2 224 LEU 224 225 225 LEU LEU b . n +V 2 225 TYR 225 226 226 TYR TYR b . n +V 2 226 LYS 226 227 227 LYS LYS b . n +V 2 227 ALA 227 228 228 ALA ALA b . n +V 2 228 LEU 228 229 229 LEU LEU b . n +V 2 229 ARG 229 230 230 ARG ARG b . n +V 2 230 MET 230 231 231 MET MET b . n +V 2 231 GLY 231 232 232 GLY GLY b . n +V 2 232 ASN 232 233 233 ASN ASN b . n +V 2 233 ILE 233 234 234 ILE ILE b . n +V 2 234 GLU 234 235 235 GLU GLU b . n +V 2 235 THR 235 236 236 THR THR b . n +V 2 236 VAL 236 237 237 VAL VAL b . n +V 2 237 LEU 237 238 238 LEU LEU b . n +V 2 238 SER 238 239 239 SER SER b . n +V 2 239 SER 239 240 240 SER SER b . n +V 2 240 SER 240 241 241 SER SER b . n +V 2 241 ILE 241 242 242 ILE ILE b . n +V 2 242 ALA 242 243 243 ALA ALA b . n +V 2 243 ALA 243 244 244 ALA ALA b . n +V 2 244 VAL 244 245 245 VAL VAL b . n +V 2 245 PHE 245 246 246 PHE PHE b . n +V 2 246 PHE 246 247 247 PHE PHE b . n +V 2 247 ALA 247 248 248 ALA ALA b . n +V 2 248 ALA 248 249 249 ALA ALA b . n +V 2 249 PHE 249 250 250 PHE PHE b . n +V 2 250 VAL 250 251 251 VAL VAL b . n +V 2 251 VAL 251 252 252 VAL VAL b . n +V 2 252 ALA 252 253 253 ALA ALA b . n +V 2 253 GLY 253 254 254 GLY GLY b . n +V 2 254 THR 254 255 255 THR THR b . n +V 2 255 MET 255 256 256 MET MET b . n +V 2 256 TRP 256 257 257 TRP TRP b . n +V 2 257 TYR 257 258 258 TYR TYR b . n +V 2 258 GLY 258 259 259 GLY GLY b . n +V 2 259 SER 259 260 260 SER SER b . n +V 2 260 ALA 260 261 261 ALA ALA b . n +V 2 261 THR 261 262 262 THR THR b . n +V 2 262 THR 262 263 263 THR THR b . n +V 2 263 PRO 263 264 264 PRO PRO b . n +V 2 264 ILE 264 265 265 ILE ILE b . n +V 2 265 GLU 265 266 266 GLU GLU b . n +V 2 266 LEU 266 267 267 LEU LEU b . n +V 2 267 PHE 267 268 268 PHE PHE b . n +V 2 268 GLY 268 269 269 GLY GLY b . n +V 2 269 PRO 269 270 270 PRO PRO b . n +V 2 270 THR 270 271 271 THR THR b . n +V 2 271 ARG 271 272 272 ARG ARG b . n +V 2 272 TYR 272 273 273 TYR TYR b . n +V 2 273 GLN 273 274 274 GLN GLN b . n +V 2 274 TRP 274 275 275 TRP TRP b . n +V 2 275 ASP 275 276 276 ASP ASP b . n +V 2 276 SER 276 277 277 SER SER b . n +V 2 277 SER 277 278 278 SER SER b . n +V 2 278 TYR 278 279 279 TYR TYR b . n +V 2 279 PHE 279 280 280 PHE PHE b . n +V 2 280 GLN 280 281 281 GLN GLN b . n +V 2 281 GLN 281 282 282 GLN GLN b . n +V 2 282 GLU 282 283 283 GLU GLU b . n +V 2 283 ILE 283 284 284 ILE ILE b . n +V 2 284 ASN 284 285 285 ASN ASN b . n +V 2 285 ARG 285 286 286 ARG ARG b . n +V 2 286 ARG 286 287 287 ARG ARG b . n +V 2 287 VAL 287 288 288 VAL VAL b . n +V 2 288 GLN 288 289 289 GLN GLN b . n +V 2 289 ALA 289 290 290 ALA ALA b . n +V 2 290 SER 290 291 291 SER SER b . n +V 2 291 LEU 291 292 292 LEU LEU b . n +V 2 292 ALA 292 293 293 ALA ALA b . n +V 2 293 SER 293 294 294 SER SER b . n +V 2 294 GLY 294 295 295 GLY GLY b . n +V 2 295 ALA 295 296 296 ALA ALA b . n +V 2 296 THR 296 297 297 THR THR b . n +V 2 297 LEU 297 298 298 LEU LEU b . n +V 2 298 GLU 298 299 299 GLU GLU b . n +V 2 299 GLU 299 300 300 GLU GLU b . n +V 2 300 ALA 300 301 301 ALA ALA b . n +V 2 301 TRP 301 302 302 TRP TRP b . n +V 2 302 SER 302 303 303 SER SER b . n +V 2 303 ALA 303 304 304 ALA ALA b . n +V 2 304 ILE 304 305 305 ILE ILE b . n +V 2 305 PRO 305 306 306 PRO PRO b . n +V 2 306 GLU 306 307 307 GLU GLU b . n +V 2 307 LYS 307 308 308 LYS LYS b . n +V 2 308 LEU 308 309 309 LEU LEU b . n +V 2 309 ALA 309 310 310 ALA ALA b . n +V 2 310 PHE 310 311 311 PHE PHE b . n +V 2 311 TYR 311 312 312 TYR TYR b . n +V 2 312 ASP 312 313 313 ASP ASP b . n +V 2 313 TYR 313 314 314 TYR TYR b . n +V 2 314 ILE 314 315 315 ILE ILE b . n +V 2 315 GLY 315 316 316 GLY GLY b . n +V 2 316 ASN 316 317 317 ASN ASN b . n +V 2 317 ASN 317 318 318 ASN ASN b . n +V 2 318 PRO 318 319 319 PRO PRO b . n +V 2 319 ALA 319 320 320 ALA ALA b . n +V 2 320 LYS 320 321 321 LYS LYS b . n +V 2 321 GLY 321 322 322 GLY GLY b . n +V 2 322 GLY 322 323 323 GLY GLY b . n +V 2 323 LEU 323 324 324 LEU LEU b . n +V 2 324 PHE 324 325 325 PHE PHE b . n +V 2 325 ARG 325 326 326 ARG ARG b . n +V 2 326 THR 326 327 327 THR THR b . n +V 2 327 GLY 327 328 328 GLY GLY b . n +V 2 328 PRO 328 329 329 PRO PRO b . n +V 2 329 MET 329 330 330 MET MET b . n +V 2 330 ASN 330 331 331 ASN ASN b . n +V 2 331 LYS 331 332 332 LYS LYS b . n +V 2 332 GLY 332 333 333 GLY GLY b . n +V 2 333 ASP 333 334 334 ASP ASP b . n +V 2 334 GLY 334 335 335 GLY GLY b . n +V 2 335 ILE 335 336 336 ILE ILE b . n +V 2 336 ALA 336 337 337 ALA ALA b . n +V 2 337 GLN 337 338 338 GLN GLN b . n +V 2 338 ALA 338 339 339 ALA ALA b . n +V 2 339 TRP 339 340 340 TRP TRP b . n +V 2 340 LYS 340 341 341 LYS LYS b . n +V 2 341 GLY 341 342 342 GLY GLY b . n +V 2 342 HIS 342 343 343 HIS HIS b . n +V 2 343 ALA 343 344 344 ALA ALA b . n +V 2 344 VAL 344 345 345 VAL VAL b . n +V 2 345 PHE 345 346 346 PHE PHE b . n +V 2 346 ARG 346 347 347 ARG ARG b . n +V 2 347 ASN 347 348 348 ASN ASN b . n +V 2 348 LYS 348 349 349 LYS LYS b . n +V 2 349 GLU 349 350 350 GLU GLU b . n +V 2 350 GLY 350 351 351 GLY GLY b . n +V 2 351 GLU 351 352 352 GLU GLU b . n +V 2 352 GLU 352 353 353 GLU GLU b . n +V 2 353 LEU 353 354 354 LEU LEU b . n +V 2 354 PHE 354 355 355 PHE PHE b . n +V 2 355 VAL 355 356 356 VAL VAL b . n +V 2 356 ARG 356 357 357 ARG ARG b . n +V 2 357 ARG 357 358 358 ARG ARG b . n +V 2 358 MET 358 359 359 MET MET b . n +V 2 359 PRO 359 360 360 PRO PRO b . n +V 2 360 ALA 360 361 361 ALA ALA b . n +V 2 361 PHE 361 362 362 PHE PHE b . n +V 2 362 PHE 362 363 363 PHE PHE b . n +V 2 363 GLU 363 364 364 GLU GLU b . n +V 2 364 SER 364 365 365 SER SER b . n +V 2 365 PHE 365 366 366 PHE PHE b . n +V 2 366 PRO 366 367 367 PRO PRO b . n +V 2 367 VAL 367 368 368 VAL VAL b . n +V 2 368 ILE 368 369 369 ILE ILE b . n +V 2 369 LEU 369 370 370 LEU LEU b . n +V 2 370 THR 370 371 371 THR THR b . n +V 2 371 ASP 371 372 372 ASP ASP b . n +V 2 372 LYS 372 373 373 LYS LYS b . n +V 2 373 ASN 373 374 374 ASN ASN b . n +V 2 374 GLY 374 375 375 GLY GLY b . n +V 2 375 VAL 375 376 376 VAL VAL b . n +V 2 376 VAL 376 377 377 VAL VAL b . n +V 2 377 LYS 377 378 378 LYS LYS b . n +V 2 378 ALA 378 379 379 ALA ALA b . n +V 2 379 ASP 379 380 380 ASP ASP b . n +V 2 380 ILE 380 381 381 ILE ILE b . n +V 2 381 PRO 381 382 382 PRO PRO b . n +V 2 382 PHE 382 383 383 PHE PHE b . n +V 2 383 ARG 383 384 384 ARG ARG b . n +V 2 384 ARG 384 385 385 ARG ARG b . n +V 2 385 ALA 385 386 386 ALA ALA b . n +V 2 386 GLU 386 387 387 GLU GLU b . n +V 2 387 SER 387 388 388 SER SER b . n +V 2 388 LYS 388 389 389 LYS LYS b . n +V 2 389 TYR 389 390 390 TYR TYR b . n +V 2 390 SER 390 391 391 SER SER b . n +V 2 391 PHE 391 392 392 PHE PHE b . n +V 2 392 GLU 392 393 393 GLU GLU b . n +V 2 393 GLN 393 394 394 GLN GLN b . n +V 2 394 GLN 394 395 395 GLN GLN b . n +V 2 395 GLY 395 396 396 GLY GLY b . n +V 2 396 VAL 396 397 397 VAL VAL b . n +V 2 397 THR 397 398 398 THR THR b . n +V 2 398 VAL 398 399 399 VAL VAL b . n +V 2 399 SER 399 400 400 SER SER b . n +V 2 400 PHE 400 401 401 PHE PHE b . n +V 2 401 TYR 401 402 402 TYR TYR b . n +V 2 402 GLY 402 403 403 GLY GLY b . n +V 2 403 GLY 403 404 404 GLY GLY b . n +V 2 404 GLU 404 405 405 GLU GLU b . n +V 2 405 LEU 405 406 406 LEU LEU b . n +V 2 406 ASN 406 407 407 ASN ASN b . n +V 2 407 GLY 407 408 408 GLY GLY b . n +V 2 408 GLN 408 409 409 GLN GLN b . n +V 2 409 THR 409 410 410 THR THR b . n +V 2 410 PHE 410 411 411 PHE PHE b . n +V 2 411 THR 411 412 412 THR THR b . n +V 2 412 ASP 412 413 413 ASP ASP b . n +V 2 413 PRO 413 414 414 PRO PRO b . n +V 2 414 PRO 414 415 415 PRO PRO b . n +V 2 415 THR 415 416 416 THR THR b . n +V 2 416 VAL 416 417 417 VAL VAL b . n +V 2 417 LYS 417 418 418 LYS LYS b . n +V 2 418 SER 418 419 419 SER SER b . n +V 2 419 TYR 419 420 420 TYR TYR b . n +V 2 420 ALA 420 421 421 ALA ALA b . n +V 2 421 ARG 421 422 422 ARG ARG b . n +V 2 422 LYS 422 423 423 LYS LYS b . n +V 2 423 ALA 423 424 424 ALA ALA b . n +V 2 424 ILE 424 425 425 ILE ILE b . n +V 2 425 PHE 425 426 426 PHE PHE b . n +V 2 426 GLY 426 427 427 GLY GLY b . n +V 2 427 GLU 427 428 428 GLU GLU b . n +V 2 428 ILE 428 429 429 ILE ILE b . n +V 2 429 PHE 429 430 430 PHE PHE b . n +V 2 430 GLU 430 431 431 GLU GLU b . n +V 2 431 PHE 431 432 432 PHE PHE b . n +V 2 432 ASP 432 433 433 ASP ASP b . n +V 2 433 THR 433 434 434 THR THR b . n +V 2 434 GLU 434 435 435 GLU GLU b . n +V 2 435 THR 435 436 436 THR THR b . n +V 2 436 LEU 436 437 437 LEU LEU b . n +V 2 437 ASN 437 438 438 ASN ASN b . n +V 2 438 SER 438 439 439 SER SER b . n +V 2 439 ASP 439 440 440 ASP ASP b . n +V 2 440 GLY 440 441 441 GLY GLY b . n +V 2 441 ILE 441 442 442 ILE ILE b . n +V 2 442 PHE 442 443 443 PHE PHE b . n +V 2 443 ARG 443 444 444 ARG ARG b . n +V 2 444 THR 444 445 445 THR THR b . n +V 2 445 SER 445 446 446 SER SER b . n +V 2 446 PRO 446 447 447 PRO PRO b . n +V 2 447 ARG 447 448 448 ARG ARG b . n +V 2 448 GLY 448 449 449 GLY GLY b . n +V 2 449 TRP 449 450 450 TRP TRP b . n +V 2 450 PHE 450 451 451 PHE PHE b . n +V 2 451 THR 451 452 452 THR THR b . n +V 2 452 PHE 452 453 453 PHE PHE b . n +V 2 453 ALA 453 454 454 ALA ALA b . n +V 2 454 HIS 454 455 455 HIS HIS b . n +V 2 455 ALA 455 456 456 ALA ALA b . n +V 2 456 VAL 456 457 457 VAL VAL b . n +V 2 457 PHE 457 458 458 PHE PHE b . n +V 2 458 ALA 458 459 459 ALA ALA b . n +V 2 459 LEU 459 460 460 LEU LEU b . n +V 2 460 LEU 460 461 461 LEU LEU b . n +V 2 461 PHE 461 462 462 PHE PHE b . n +V 2 462 PHE 462 463 463 PHE PHE b . n +V 2 463 PHE 463 464 464 PHE PHE b . n +V 2 464 GLY 464 465 465 GLY GLY b . n +V 2 465 HIS 465 466 466 HIS HIS b . n +V 2 466 ILE 466 467 467 ILE ILE b . n +V 2 467 TRP 467 468 468 TRP TRP b . n +V 2 468 HIS 468 469 469 HIS HIS b . n +V 2 469 GLY 469 470 470 GLY GLY b . n +V 2 470 ALA 470 471 471 ALA ALA b . n +V 2 471 ARG 471 472 472 ARG ARG b . n +V 2 472 THR 472 473 473 THR THR b . n +V 2 473 LEU 473 474 474 LEU LEU b . n +V 2 474 PHE 474 475 475 PHE PHE b . n +V 2 475 ARG 475 476 476 ARG ARG b . n +V 2 476 ASP 476 477 477 ASP ASP b . n +V 2 477 VAL 477 478 478 VAL VAL b . n +V 2 478 PHE 478 479 479 PHE PHE b . n +V 2 479 SER 479 480 480 SER SER b . n +V 2 480 GLY 480 481 481 GLY GLY b . n +V 2 481 ILE 481 482 482 ILE ILE b . n +V 2 482 ASP 482 483 483 ASP ASP b . n +V 2 483 PRO 483 484 484 PRO PRO b . n +V 2 484 GLU 484 485 485 GLU GLU b . n +V 2 485 LEU 485 486 486 LEU LEU b . n +V 2 486 SER 486 487 487 SER SER b . n +V 2 487 PRO 487 488 488 PRO PRO b . n +V 2 488 GLU 488 489 489 GLU GLU b . n +V 2 489 GLN 489 490 490 GLN GLN b . n +V 2 490 VAL 490 491 491 VAL VAL b . n +V 2 491 GLU 491 492 492 GLU GLU b . n +V 2 492 TRP 492 493 493 TRP TRP b . n +V 2 493 GLY 493 494 494 GLY GLY b . n +V 2 494 PHE 494 495 495 PHE PHE b . n +V 2 495 TYR 495 496 496 TYR TYR b . n +V 2 496 GLN 496 497 497 GLN GLN b . n +V 2 497 LYS 497 498 498 LYS LYS b . n +V 2 498 VAL 498 499 499 VAL VAL b . n +V 2 499 GLY 499 500 500 GLY GLY b . n +V 2 500 ASP 500 501 501 ASP ASP b . n +V 2 501 VAL 501 502 502 VAL VAL b . n +V 2 502 THR 502 503 503 THR THR b . n +V 2 503 THR 503 504 504 THR THR b . n +V 2 504 ARG 504 505 505 ARG ARG b . n +W 19 1 ASN 1 19 19 ASN ASN c . n +W 19 2 SER 2 20 20 SER SER c . n +W 19 3 ILE 3 21 21 ILE ILE c . n +W 19 4 PHE 4 22 22 PHE PHE c . n +W 19 5 ALA 5 23 23 ALA ALA c . n +W 19 6 THR 6 24 24 THR THR c . n +W 19 7 ASN 7 25 25 ASN ASN c . n +W 19 8 ARG 8 26 26 ARG ARG c . n +W 19 9 ASP 9 27 27 ASP ASP c . n +W 19 10 GLN 10 28 28 GLN GLN c . n +W 19 11 GLU 11 29 29 GLU GLU c . n +W 19 12 SER 12 30 30 SER SER c . n +W 19 13 SER 13 31 31 SER SER c . n +W 19 14 GLY 14 32 32 GLY GLY c . n +W 19 15 PHE 15 33 33 PHE PHE c . n +W 19 16 ALA 16 34 34 ALA ALA c . n +W 19 17 TRP 17 35 35 TRP TRP c . n +W 19 18 TRP 18 36 36 TRP TRP c . n +W 19 19 ALA 19 37 37 ALA ALA c . n +W 19 20 GLY 20 38 38 GLY GLY c . n +W 19 21 ASN 21 39 39 ASN ASN c . n +W 19 22 ALA 22 40 40 ALA ALA c . n +W 19 23 ARG 23 41 41 ARG ARG c . n +W 19 24 LEU 24 42 42 LEU LEU c . n +W 19 25 ILE 25 43 43 ILE ILE c . n +W 19 26 ASN 26 44 44 ASN ASN c . n +W 19 27 LEU 27 45 45 LEU LEU c . n +W 19 28 SER 28 46 46 SER SER c . n +W 19 29 GLY 29 47 47 GLY GLY c . n +W 19 30 LYS 30 48 48 LYS LYS c . n +W 19 31 LEU 31 49 49 LEU LEU c . n +W 19 32 LEU 32 50 50 LEU LEU c . n +W 19 33 GLY 33 51 51 GLY GLY c . n +W 19 34 ALA 34 52 52 ALA ALA c . n +W 19 35 HIS 35 53 53 HIS HIS c . n +W 19 36 VAL 36 54 54 VAL VAL c . n +W 19 37 ALA 37 55 55 ALA ALA c . n +W 19 38 HIS 38 56 56 HIS HIS c . n +W 19 39 ALA 39 57 57 ALA ALA c . n +W 19 40 GLY 40 58 58 GLY GLY c . n +W 19 41 LEU 41 59 59 LEU LEU c . n +W 19 42 ILE 42 60 60 ILE ILE c . n +W 19 43 VAL 43 61 61 VAL VAL c . n +W 19 44 PHE 44 62 62 PHE PHE c . n +W 19 45 TRP 45 63 63 TRP TRP c . n +W 19 46 ALA 46 64 64 ALA ALA c . n +W 19 47 GLY 47 65 65 GLY GLY c . n +W 19 48 ALA 48 66 66 ALA ALA c . n +W 19 49 MET 49 67 67 MET MET c . n +W 19 50 THR 50 68 68 THR THR c . n +W 19 51 LEU 51 69 69 LEU LEU c . n +W 19 52 PHE 52 70 70 PHE PHE c . n +W 19 53 GLU 53 71 71 GLU GLU c . n +W 19 54 LEU 54 72 72 LEU LEU c . n +W 19 55 ALA 55 73 73 ALA ALA c . n +W 19 56 HIS 56 74 74 HIS HIS c . n +W 19 57 PHE 57 75 75 PHE PHE c . n +W 19 58 ILE 58 76 76 ILE ILE c . n +W 19 59 PRO 59 77 77 PRO PRO c . n +W 19 60 GLU 60 78 78 GLU GLU c . n +W 19 61 LYS 61 79 79 LYS LYS c . n +W 19 62 PRO 62 80 80 PRO PRO c . n +W 19 63 MET 63 81 81 MET MET c . n +W 19 64 TYR 64 82 82 TYR TYR c . n +W 19 65 GLU 65 83 83 GLU GLU c . n +W 19 66 GLN 66 84 84 GLN GLN c . n +W 19 67 GLY 67 85 85 GLY GLY c . n +W 19 68 LEU 68 86 86 LEU LEU c . n +W 19 69 ILE 69 87 87 ILE ILE c . n +W 19 70 LEU 70 88 88 LEU LEU c . n +W 19 71 ILE 71 89 89 ILE ILE c . n +W 19 72 PRO 72 90 90 PRO PRO c . n +W 19 73 HIS 73 91 91 HIS HIS c . n +W 19 74 ILE 74 92 92 ILE ILE c . n +W 19 75 ALA 75 93 93 ALA ALA c . n +W 19 76 THR 76 94 94 THR THR c . n +W 19 77 LEU 77 95 95 LEU LEU c . n +W 19 78 GLY 78 96 96 GLY GLY c . n +W 19 79 TRP 79 97 97 TRP TRP c . n +W 19 80 GLY 80 98 98 GLY GLY c . n +W 19 81 VAL 81 99 99 VAL VAL c . n +W 19 82 GLY 82 100 100 GLY GLY c . n +W 19 83 PRO 83 101 101 PRO PRO c . n +W 19 84 GLY 84 102 102 GLY GLY c . n +W 19 85 GLY 85 103 103 GLY GLY c . n +W 19 86 GLU 86 104 104 GLU GLU c . n +W 19 87 VAL 87 105 105 VAL VAL c . n +W 19 88 VAL 88 106 106 VAL VAL c . n +W 19 89 ASP 89 107 107 ASP ASP c . n +W 19 90 THR 90 108 108 THR THR c . n +W 19 91 PHE 91 109 109 PHE PHE c . n +W 19 92 PRO 92 110 110 PRO PRO c . n +W 19 93 PHE 93 111 111 PHE PHE c . n +W 19 94 PHE 94 112 112 PHE PHE c . n +W 19 95 VAL 95 113 113 VAL VAL c . n +W 19 96 VAL 96 114 114 VAL VAL c . n +W 19 97 GLY 97 115 115 GLY GLY c . n +W 19 98 VAL 98 116 116 VAL VAL c . n +W 19 99 VAL 99 117 117 VAL VAL c . n +W 19 100 HIS 100 118 118 HIS HIS c . n +W 19 101 LEU 101 119 119 LEU LEU c . n +W 19 102 ILE 102 120 120 ILE ILE c . n +W 19 103 SER 103 121 121 SER SER c . n +W 19 104 SER 104 122 122 SER SER c . n +W 19 105 ALA 105 123 123 ALA ALA c . n +W 19 106 VAL 106 124 124 VAL VAL c . n +W 19 107 LEU 107 125 125 LEU LEU c . n +W 19 108 GLY 108 126 126 GLY GLY c . n +W 19 109 PHE 109 127 127 PHE PHE c . n +W 19 110 GLY 110 128 128 GLY GLY c . n +W 19 111 GLY 111 129 129 GLY GLY c . n +W 19 112 VAL 112 130 130 VAL VAL c . n +W 19 113 TYR 113 131 131 TYR TYR c . n +W 19 114 HIS 114 132 132 HIS HIS c . n +W 19 115 ALA 115 133 133 ALA ALA c . n +W 19 116 ILE 116 134 134 ILE ILE c . n +W 19 117 ARG 117 135 135 ARG ARG c . n +W 19 118 GLY 118 136 136 GLY GLY c . n +W 19 119 PRO 119 137 137 PRO PRO c . n +W 19 120 GLU 120 138 138 GLU GLU c . n +W 19 121 THR 121 139 139 THR THR c . n +W 19 122 LEU 122 140 140 LEU LEU c . n +W 19 123 GLU 123 141 141 GLU GLU c . n +W 19 124 GLU 124 142 142 GLU GLU c . n +W 19 125 TYR 125 143 143 TYR TYR c . n +W 19 126 SER 126 144 144 SER SER c . n +W 19 127 SER 127 145 145 SER SER c . n +W 19 128 PHE 128 146 146 PHE PHE c . n +W 19 129 PHE 129 147 147 PHE PHE c . n +W 19 130 GLY 130 148 148 GLY GLY c . n +W 19 131 TYR 131 149 149 TYR TYR c . n +W 19 132 ASP 132 150 150 ASP ASP c . n +W 19 133 TRP 133 151 151 TRP TRP c . n +W 19 134 LYS 134 152 152 LYS LYS c . n +W 19 135 ASP 135 153 153 ASP ASP c . n +W 19 136 LYS 136 154 154 LYS LYS c . n +W 19 137 ASN 137 155 155 ASN ASN c . n +W 19 138 LYS 138 156 156 LYS LYS c . n +W 19 139 MET 139 157 157 MET MET c . n +W 19 140 THR 140 158 158 THR THR c . n +W 19 141 THR 141 159 159 THR THR c . n +W 19 142 ILE 142 160 160 ILE ILE c . n +W 19 143 LEU 143 161 161 LEU LEU c . n +W 19 144 GLY 144 162 162 GLY GLY c . n +W 19 145 PHE 145 163 163 PHE PHE c . n +W 19 146 HIS 146 164 164 HIS HIS c . n +W 19 147 LEU 147 165 165 LEU LEU c . n +W 19 148 ILE 148 166 166 ILE ILE c . n +W 19 149 VAL 149 167 167 VAL VAL c . n +W 19 150 LEU 150 168 168 LEU LEU c . n +W 19 151 GLY 151 169 169 GLY GLY c . n +W 19 152 ILE 152 170 170 ILE ILE c . n +W 19 153 GLY 153 171 171 GLY GLY c . n +W 19 154 ALA 154 172 172 ALA ALA c . n +W 19 155 LEU 155 173 173 LEU LEU c . n +W 19 156 LEU 156 174 174 LEU LEU c . n +W 19 157 LEU 157 175 175 LEU LEU c . n +W 19 158 VAL 158 176 176 VAL VAL c . n +W 19 159 ALA 159 177 177 ALA ALA c . n +W 19 160 LYS 160 178 178 LYS LYS c . n +W 19 161 ALA 161 179 179 ALA ALA c . n +W 19 162 MET 162 180 180 MET MET c . n +W 19 163 PHE 163 181 181 PHE PHE c . n +W 19 164 PHE 164 182 182 PHE PHE c . n +W 19 165 GLY 165 183 183 GLY GLY c . n +W 19 166 GLY 166 184 184 GLY GLY c . n +W 19 167 LEU 167 185 185 LEU LEU c . n +W 19 168 TYR 168 186 186 TYR TYR c . n +W 19 169 ASP 169 187 187 ASP ASP c . n +W 19 170 THR 170 188 188 THR THR c . n +W 19 171 TRP 171 189 189 TRP TRP c . n +W 19 172 ALA 172 190 190 ALA ALA c . n +W 19 173 PRO 173 191 191 PRO PRO c . n +W 19 174 GLY 174 192 192 GLY GLY c . n +W 19 175 GLY 175 193 193 GLY GLY c . n +W 19 176 GLY 176 194 194 GLY GLY c . n +W 19 177 ASP 177 195 195 ASP ASP c . n +W 19 178 VAL 178 196 196 VAL VAL c . n +W 19 179 ARG 179 197 197 ARG ARG c . n +W 19 180 VAL 180 198 198 VAL VAL c . n +W 19 181 ILE 181 199 199 ILE ILE c . n +W 19 182 THR 182 200 200 THR THR c . n +W 19 183 ASN 183 201 201 ASN ASN c . n +W 19 184 PRO 184 202 202 PRO PRO c . n +W 19 185 THR 185 203 203 THR THR c . n +W 19 186 LEU 186 204 204 LEU LEU c . n +W 19 187 ASP 187 205 205 ASP ASP c . n +W 19 188 PRO 188 206 206 PRO PRO c . n +W 19 189 ARG 189 207 207 ARG ARG c . n +W 19 190 VAL 190 208 208 VAL VAL c . n +W 19 191 ILE 191 209 209 ILE ILE c . n +W 19 192 PHE 192 210 210 PHE PHE c . n +W 19 193 GLY 193 211 211 GLY GLY c . n +W 19 194 TYR 194 212 212 TYR TYR c . n +W 19 195 LEU 195 213 213 LEU LEU c . n +W 19 196 LEU 196 214 214 LEU LEU c . n +W 19 197 LYS 197 215 215 LYS LYS c . n +W 19 198 SER 198 216 216 SER SER c . n +W 19 199 PRO 199 217 217 PRO PRO c . n +W 19 200 PHE 200 218 218 PHE PHE c . n +W 19 201 GLY 201 219 219 GLY GLY c . n +W 19 202 GLY 202 220 220 GLY GLY c . n +W 19 203 GLU 203 221 221 GLU GLU c . n +W 19 204 GLY 204 222 222 GLY GLY c . n +W 19 205 TRP 205 223 223 TRP TRP c . n +W 19 206 ILE 206 224 224 ILE ILE c . n +W 19 207 VAL 207 225 225 VAL VAL c . n +W 19 208 SER 208 226 226 SER SER c . n +W 19 209 VAL 209 227 227 VAL VAL c . n +W 19 210 ASN 210 228 228 ASN ASN c . n +W 19 211 ASN 211 229 229 ASN ASN c . n +W 19 212 LEU 212 230 230 LEU LEU c . n +W 19 213 GLU 213 231 231 GLU GLU c . n +W 19 214 ASP 214 232 232 ASP ASP c . n +W 19 215 VAL 215 233 233 VAL VAL c . n +W 19 216 VAL 216 234 234 VAL VAL c . n +W 19 217 GLY 217 235 235 GLY GLY c . n +W 19 218 GLY 218 236 236 GLY GLY c . n +W 19 219 HIS 219 237 237 HIS HIS c . n +W 19 220 ILE 220 238 238 ILE ILE c . n +W 19 221 TRP 221 239 239 TRP TRP c . n +W 19 222 ILE 222 240 240 ILE ILE c . n +W 19 223 GLY 223 241 241 GLY GLY c . n +W 19 224 LEU 224 242 242 LEU LEU c . n +W 19 225 ILE 225 243 243 ILE ILE c . n +W 19 226 CYS 226 244 244 CYS CYS c . n +W 19 227 ILE 227 245 245 ILE ILE c . n +W 19 228 ALA 228 246 246 ALA ALA c . n +W 19 229 GLY 229 247 247 GLY GLY c . n +W 19 230 GLY 230 248 248 GLY GLY c . n +W 19 231 ILE 231 249 249 ILE ILE c . n +W 19 232 TRP 232 250 250 TRP TRP c . n +W 19 233 HIS 233 251 251 HIS HIS c . n +W 19 234 ILE 234 252 252 ILE ILE c . n +W 19 235 LEU 235 253 253 LEU LEU c . n +W 19 236 THR 236 254 254 THR THR c . n +W 19 237 THR 237 255 255 THR THR c . n +W 19 238 PRO 238 256 256 PRO PRO c . n +W 19 239 PHE 239 257 257 PHE PHE c . n +W 19 240 GLY 240 258 258 GLY GLY c . n +W 19 241 TRP 241 259 259 TRP TRP c . n +W 19 242 ALA 242 260 260 ALA ALA c . n +W 19 243 ARG 243 261 261 ARG ARG c . n +W 19 244 ARG 244 262 262 ARG ARG c . n +W 19 245 ALA 245 263 263 ALA ALA c . n +W 19 246 PHE 246 264 264 PHE PHE c . n +W 19 247 ILE 247 265 265 ILE ILE c . n +W 19 248 TRP 248 266 266 TRP TRP c . n +W 19 249 SER 249 267 267 SER SER c . n +W 19 250 GLY 250 268 268 GLY GLY c . n +W 19 251 GLU 251 269 269 GLU GLU c . n +W 19 252 ALA 252 270 270 ALA ALA c . n +W 19 253 TYR 253 271 271 TYR TYR c . n +W 19 254 LEU 254 272 272 LEU LEU c . n +W 19 255 SER 255 273 273 SER SER c . n +W 19 256 TYR 256 274 274 TYR TYR c . n +W 19 257 SER 257 275 275 SER SER c . n +W 19 258 LEU 258 276 276 LEU LEU c . n +W 19 259 GLY 259 277 277 GLY GLY c . n +W 19 260 ALA 260 278 278 ALA ALA c . n +W 19 261 LEU 261 279 279 LEU LEU c . n +W 19 262 SER 262 280 280 SER SER c . n +W 19 263 MET 263 281 281 MET MET c . n +W 19 264 MET 264 282 282 MET MET c . n +W 19 265 GLY 265 283 283 GLY GLY c . n +W 19 266 PHE 266 284 284 PHE PHE c . n +W 19 267 ILE 267 285 285 ILE ILE c . n +W 19 268 ALA 268 286 286 ALA ALA c . n +W 19 269 THR 269 287 287 THR THR c . n +W 19 270 CYS 270 288 288 CYS CYS c . n +W 19 271 PHE 271 289 289 PHE PHE c . n +W 19 272 VAL 272 290 290 VAL VAL c . n +W 19 273 TRP 273 291 291 TRP TRP c . n +W 19 274 PHE 274 292 292 PHE PHE c . n +W 19 275 ASN 275 293 293 ASN ASN c . n +W 19 276 ASN 276 294 294 ASN ASN c . n +W 19 277 THR 277 295 295 THR THR c . n +W 19 278 VAL 278 296 296 VAL VAL c . n +W 19 279 TYR 279 297 297 TYR TYR c . n +W 19 280 PRO 280 298 298 PRO PRO c . n +W 19 281 SER 281 299 299 SER SER c . n +W 19 282 GLU 282 300 300 GLU GLU c . n +W 19 283 PHE 283 301 301 PHE PHE c . n +W 19 284 TYR 284 302 302 TYR TYR c . n +W 19 285 GLY 285 303 303 GLY GLY c . n +W 19 286 PRO 286 304 304 PRO PRO c . n +W 19 287 THR 287 305 305 THR THR c . n +W 19 288 GLY 288 306 306 GLY GLY c . n +W 19 289 PRO 289 307 307 PRO PRO c . n +W 19 290 GLU 290 308 308 GLU GLU c . n +W 19 291 ALA 291 309 309 ALA ALA c . n +W 19 292 SER 292 310 310 SER SER c . n +W 19 293 GLN 293 311 311 GLN GLN c . n +W 19 294 ALA 294 312 312 ALA ALA c . n +W 19 295 GLN 295 313 313 GLN GLN c . n +W 19 296 ALA 296 314 314 ALA ALA c . n +W 19 297 MET 297 315 315 MET MET c . n +W 19 298 THR 298 316 316 THR THR c . n +W 19 299 PHE 299 317 317 PHE PHE c . n +W 19 300 LEU 300 318 318 LEU LEU c . n +W 19 301 ILE 301 319 319 ILE ILE c . n +W 19 302 ARG 302 320 320 ARG ARG c . n +W 19 303 ASP 303 321 321 ASP ASP c . n +W 19 304 GLN 304 322 322 GLN GLN c . n +W 19 305 LYS 305 323 323 LYS LYS c . n +W 19 306 LEU 306 324 324 LEU LEU c . n +W 19 307 GLY 307 325 325 GLY GLY c . n +W 19 308 ALA 308 326 326 ALA ALA c . n +W 19 309 ASN 309 327 327 ASN ASN c . n +W 19 310 VAL 310 328 328 VAL VAL c . n +W 19 311 GLY 311 329 329 GLY GLY c . n +W 19 312 SER 312 330 330 SER SER c . n +W 19 313 ALA 313 331 331 ALA ALA c . n +W 19 314 GLN 314 332 332 GLN GLN c . n +W 19 315 GLY 315 333 333 GLY GLY c . n +W 19 316 PRO 316 334 334 PRO PRO c . n +W 19 317 THR 317 335 335 THR THR c . n +W 19 318 GLY 318 336 336 GLY GLY c . n +W 19 319 LEU 319 337 337 LEU LEU c . n +W 19 320 GLY 320 338 338 GLY GLY c . n +W 19 321 LYS 321 339 339 LYS LYS c . n +W 19 322 TYR 322 340 340 TYR TYR c . n +W 19 323 LEU 323 341 341 LEU LEU c . n +W 19 324 MET 324 342 342 MET MET c . n +W 19 325 ARG 325 343 343 ARG ARG c . n +W 19 326 SER 326 344 344 SER SER c . n +W 19 327 PRO 327 345 345 PRO PRO c . n +W 19 328 THR 328 346 346 THR THR c . n +W 19 329 GLY 329 347 347 GLY GLY c . n +W 19 330 GLU 330 348 348 GLU GLU c . n +W 19 331 ILE 331 349 349 ILE ILE c . n +W 19 332 ILE 332 350 350 ILE ILE c . n +W 19 333 PHE 333 351 351 PHE PHE c . n +W 19 334 GLY 334 352 352 GLY GLY c . n +W 19 335 GLY 335 353 353 GLY GLY c . n +W 19 336 GLU 336 354 354 GLU GLU c . n +W 19 337 THR 337 355 355 THR THR c . n +W 19 338 MET 338 356 356 MET MET c . n +W 19 339 ARG 339 357 357 ARG ARG c . n +W 19 340 PHE 340 358 358 PHE PHE c . n +W 19 341 TRP 341 359 359 TRP TRP c . n +W 19 342 ASP 342 360 360 ASP ASP c . n +W 19 343 PHE 343 361 361 PHE PHE c . n +W 19 344 ARG 344 362 362 ARG ARG c . n +W 19 345 GLY 345 363 363 GLY GLY c . n +W 19 346 PRO 346 364 364 PRO PRO c . n +W 19 347 TRP 347 365 365 TRP TRP c . n +W 19 348 LEU 348 366 366 LEU LEU c . n +W 19 349 GLU 349 367 367 GLU GLU c . n +W 19 350 PRO 350 368 368 PRO PRO c . n +W 19 351 LEU 351 369 369 LEU LEU c . n +W 19 352 ARG 352 370 370 ARG ARG c . n +W 19 353 GLY 353 371 371 GLY GLY c . n +W 19 354 PRO 354 372 372 PRO PRO c . n +W 19 355 ASN 355 373 373 ASN ASN c . n +W 19 356 GLY 356 374 374 GLY GLY c . n +W 19 357 LEU 357 375 375 LEU LEU c . n +W 19 358 ASP 358 376 376 ASP ASP c . n +W 19 359 LEU 359 377 377 LEU LEU c . n +W 19 360 ASN 360 378 378 ASN ASN c . n +W 19 361 LYS 361 379 379 LYS LYS c . n +W 19 362 ILE 362 380 380 ILE ILE c . n +W 19 363 LYS 363 381 381 LYS LYS c . n +W 19 364 ASN 364 382 382 ASN ASN c . n +W 19 365 ASP 365 383 383 ASP ASP c . n +W 19 366 ILE 366 384 384 ILE ILE c . n +W 19 367 GLN 367 385 385 GLN GLN c . n +W 19 368 PRO 368 386 386 PRO PRO c . n +W 19 369 TRP 369 387 387 TRP TRP c . n +W 19 370 GLN 370 388 388 GLN GLN c . n +W 19 371 GLU 371 389 389 GLU GLU c . n +W 19 372 ARG 372 390 390 ARG ARG c . n +W 19 373 ARG 373 391 391 ARG ARG c . n +W 19 374 ALA 374 392 392 ALA ALA c . n +W 19 375 ALA 375 393 393 ALA ALA c . n +W 19 376 GLU 376 394 394 GLU GLU c . n +W 19 377 TYR 377 395 395 TYR TYR c . n +W 19 378 MET 378 396 396 MET MET c . n +W 19 379 THR 379 397 397 THR THR c . n +W 19 380 HIS 380 398 398 HIS HIS c . n +W 19 381 ALA 381 399 399 ALA ALA c . n +W 19 382 PRO 382 400 400 PRO PRO c . n +W 19 383 LEU 383 401 401 LEU LEU c . n +W 19 384 GLY 384 402 402 GLY GLY c . n +W 19 385 SER 385 403 403 SER SER c . n +W 19 386 LEU 386 404 404 LEU LEU c . n +W 19 387 ASN 387 405 405 ASN ASN c . n +W 19 388 SER 388 406 406 SER SER c . n +W 19 389 VAL 389 407 407 VAL VAL c . n +W 19 390 GLY 390 408 408 GLY GLY c . n +W 19 391 GLY 391 409 409 GLY GLY c . n +W 19 392 VAL 392 410 410 VAL VAL c . n +W 19 393 ALA 393 411 411 ALA ALA c . n +W 19 394 THR 394 412 412 THR THR c . n +W 19 395 GLU 395 413 413 GLU GLU c . n +W 19 396 ILE 396 414 414 ILE ILE c . n +W 19 397 ASN 397 415 415 ASN ASN c . n +W 19 398 SER 398 416 416 SER SER c . n +W 19 399 VAL 399 417 417 VAL VAL c . n +W 19 400 ASN 400 418 418 ASN ASN c . n +W 19 401 PHE 401 419 419 PHE PHE c . n +W 19 402 VAL 402 420 420 VAL VAL c . n +W 19 403 SER 403 421 421 SER SER c . n +W 19 404 PRO 404 422 422 PRO PRO c . n +W 19 405 ARG 405 423 423 ARG ARG c . n +W 19 406 SER 406 424 424 SER SER c . n +W 19 407 TRP 407 425 425 TRP TRP c . n +W 19 408 LEU 408 426 426 LEU LEU c . n +W 19 409 ALA 409 427 427 ALA ALA c . n +W 19 410 THR 410 428 428 THR THR c . n +W 19 411 SER 411 429 429 SER SER c . n +W 19 412 HIS 412 430 430 HIS HIS c . n +W 19 413 PHE 413 431 431 PHE PHE c . n +W 19 414 VAL 414 432 432 VAL VAL c . n +W 19 415 LEU 415 433 433 LEU LEU c . n +W 19 416 ALA 416 434 434 ALA ALA c . n +W 19 417 PHE 417 435 435 PHE PHE c . n +W 19 418 PHE 418 436 436 PHE PHE c . n +W 19 419 PHE 419 437 437 PHE PHE c . n +W 19 420 LEU 420 438 438 LEU LEU c . n +W 19 421 VAL 421 439 439 VAL VAL c . n +W 19 422 GLY 422 440 440 GLY GLY c . n +W 19 423 HIS 423 441 441 HIS HIS c . n +W 19 424 LEU 424 442 442 LEU LEU c . n +W 19 425 TRP 425 443 443 TRP TRP c . n +W 19 426 HIS 426 444 444 HIS HIS c . n +W 19 427 ALA 427 445 445 ALA ALA c . n +W 19 428 GLY 428 446 446 GLY GLY c . n +W 19 429 ARG 429 447 447 ARG ARG c . n +W 19 430 ALA 430 448 448 ALA ALA c . n +W 19 431 ARG 431 449 449 ARG ARG c . n +W 19 432 ALA 432 450 450 ALA ALA c . n +W 19 433 ALA 433 451 451 ALA ALA c . n +W 19 434 ALA 434 452 452 ALA ALA c . n +W 19 435 ALA 435 453 453 ALA ALA c . n +W 19 436 GLY 436 454 454 GLY GLY c . n +W 19 437 PHE 437 455 455 PHE PHE c . n +W 19 438 GLU 438 456 456 GLU GLU c . n +W 19 439 LYS 439 457 457 LYS LYS c . n +W 19 440 GLY 440 458 458 GLY GLY c . n +W 19 441 ILE 441 459 459 ILE ILE c . n +W 19 442 ASP 442 460 460 ASP ASP c . n +W 19 443 ARG 443 461 461 ARG ARG c . n +W 19 444 GLU 444 462 462 GLU GLU c . n +W 19 445 SER 445 463 463 SER SER c . n +W 19 446 GLU 446 464 464 GLU GLU c . n +W 19 447 PRO 447 465 465 PRO PRO c . n +W 19 448 VAL 448 466 466 VAL VAL c . n +W 19 449 LEU 449 467 467 LEU LEU c . n +W 19 450 SER 450 468 468 SER SER c . n +W 19 451 MET 451 469 469 MET MET c . n +W 19 452 PRO 452 470 470 PRO PRO c . n +W 19 453 SER 453 471 471 SER SER c . n +W 19 454 LEU 454 472 472 LEU LEU c . n +W 19 455 ASP 455 473 473 ASP ASP c . n +X 20 1 ARG 1 12 12 ARG ARG d . n +X 20 2 GLY 2 13 13 GLY GLY d . n +X 20 3 TRP 3 14 14 TRP TRP d . n +X 20 4 PHE 4 15 15 PHE PHE d . n +X 20 5 ASP 5 16 16 ASP ASP d . n +X 20 6 ILE 6 17 17 ILE ILE d . n +X 20 7 LEU 7 18 18 LEU LEU d . n +X 20 8 ASP 8 19 19 ASP ASP d . n +X 20 9 ASP 9 20 20 ASP ASP d . n +X 20 10 TRP 10 21 21 TRP TRP d . n +X 20 11 LEU 11 22 22 LEU LEU d . n +X 20 12 LYS 12 23 23 LYS LYS d . n +X 20 13 ARG 13 24 24 ARG ARG d . n +X 20 14 ASP 14 25 25 ASP ASP d . n +X 20 15 ARG 15 26 26 ARG ARG d . n +X 20 16 PHE 16 27 27 PHE PHE d . n +X 20 17 VAL 17 28 28 VAL VAL d . n +X 20 18 PHE 18 29 29 PHE PHE d . n +X 20 19 VAL 19 30 30 VAL VAL d . n +X 20 20 GLY 20 31 31 GLY GLY d . n +X 20 21 TRP 21 32 32 TRP TRP d . n +X 20 22 SER 22 33 33 SER SER d . n +X 20 23 GLY 23 34 34 GLY GLY d . n +X 20 24 ILE 24 35 35 ILE ILE d . n +X 20 25 LEU 25 36 36 LEU LEU d . n +X 20 26 LEU 26 37 37 LEU LEU d . n +X 20 27 PHE 27 38 38 PHE PHE d . n +X 20 28 PRO 28 39 39 PRO PRO d . n +X 20 29 CYS 29 40 40 CYS CYS d . n +X 20 30 ALA 30 41 41 ALA ALA d . n +X 20 31 TYR 31 42 42 TYR TYR d . n +X 20 32 LEU 32 43 43 LEU LEU d . n +X 20 33 ALA 33 44 44 ALA ALA d . n +X 20 34 LEU 34 45 45 LEU LEU d . n +X 20 35 GLY 35 46 46 GLY GLY d . n +X 20 36 GLY 36 47 47 GLY GLY d . n +X 20 37 TRP 37 48 48 TRP TRP d . n +X 20 38 LEU 38 49 49 LEU LEU d . n +X 20 39 THR 39 50 50 THR THR d . n +X 20 40 GLY 40 51 51 GLY GLY d . n +X 20 41 THR 41 52 52 THR THR d . n +X 20 42 THR 42 53 53 THR THR d . n +X 20 43 PHE 43 54 54 PHE PHE d . n +X 20 44 VAL 44 55 55 VAL VAL d . n +X 20 45 THR 45 56 56 THR THR d . n +X 20 46 SER 46 57 57 SER SER d . n +X 20 47 TRP 47 58 58 TRP TRP d . n +X 20 48 TYR 48 59 59 TYR TYR d . n +X 20 49 THR 49 60 60 THR THR d . n +X 20 50 HIS 50 61 61 HIS HIS d . n +X 20 51 GLY 51 62 62 GLY GLY d . n +X 20 52 LEU 52 63 63 LEU LEU d . n +X 20 53 ALA 53 64 64 ALA ALA d . n +X 20 54 SER 54 65 65 SER SER d . n +X 20 55 SER 55 66 66 SER SER d . n +X 20 56 TYR 56 67 67 TYR TYR d . n +X 20 57 LEU 57 68 68 LEU LEU d . n +X 20 58 GLU 58 69 69 GLU GLU d . n +X 20 59 GLY 59 70 70 GLY GLY d . n +X 20 60 CYS 60 71 71 CYS CYS d . n +X 20 61 ASN 61 72 72 ASN ASN d . n +X 20 62 PHE 62 73 73 PHE PHE d . n +X 20 63 LEU 63 74 74 LEU LEU d . n +X 20 64 THR 64 75 75 THR THR d . n +X 20 65 VAL 65 76 76 VAL VAL d . n +X 20 66 ALA 66 77 77 ALA ALA d . n +X 20 67 VAL 67 78 78 VAL VAL d . n +X 20 68 SER 68 79 79 SER SER d . n +X 20 69 THR 69 80 80 THR THR d . n +X 20 70 PRO 70 81 81 PRO PRO d . n +X 20 71 ALA 71 82 82 ALA ALA d . n +X 20 72 ASN 72 83 83 ASN ASN d . n +X 20 73 SER 73 84 84 SER SER d . n +X 20 74 MET 74 85 85 MET MET d . n +X 20 75 GLY 75 86 86 GLY GLY d . n +X 20 76 HIS 76 87 87 HIS HIS d . n +X 20 77 SER 77 88 88 SER SER d . n +X 20 78 LEU 78 89 89 LEU LEU d . n +X 20 79 LEU 79 90 90 LEU LEU d . n +X 20 80 LEU 80 91 91 LEU LEU d . n +X 20 81 LEU 81 92 92 LEU LEU d . n +X 20 82 TRP 82 93 93 TRP TRP d . n +X 20 83 GLY 83 94 94 GLY GLY d . n +X 20 84 PRO 84 95 95 PRO PRO d . n +X 20 85 GLU 85 96 96 GLU GLU d . n +X 20 86 ALA 86 97 97 ALA ALA d . n +X 20 87 GLN 87 98 98 GLN GLN d . n +X 20 88 GLY 88 99 99 GLY GLY d . n +X 20 89 ASP 89 100 100 ASP ASP d . n +X 20 90 PHE 90 101 101 PHE PHE d . n +X 20 91 THR 91 102 102 THR THR d . n +X 20 92 ARG 92 103 103 ARG ARG d . n +X 20 93 TRP 93 104 104 TRP TRP d . n +X 20 94 CYS 94 105 105 CYS CYS d . n +X 20 95 GLN 95 106 106 GLN GLN d . n +X 20 96 LEU 96 107 107 LEU LEU d . n +X 20 97 GLY 97 108 108 GLY GLY d . n +X 20 98 GLY 98 109 109 GLY GLY d . n +X 20 99 LEU 99 110 110 LEU LEU d . n +X 20 100 TRP 100 111 111 TRP TRP d . n +X 20 101 THR 101 112 112 THR THR d . n +X 20 102 PHE 102 113 113 PHE PHE d . n +X 20 103 ILE 103 114 114 ILE ILE d . n +X 20 104 ALA 104 115 115 ALA ALA d . n +X 20 105 LEU 105 116 116 LEU LEU d . n +X 20 106 HIS 106 117 117 HIS HIS d . n +X 20 107 GLY 107 118 118 GLY GLY d . n +X 20 108 ALA 108 119 119 ALA ALA d . n +X 20 109 PHE 109 120 120 PHE PHE d . n +X 20 110 GLY 110 121 121 GLY GLY d . n +X 20 111 LEU 111 122 122 LEU LEU d . n +X 20 112 ILE 112 123 123 ILE ILE d . n +X 20 113 GLY 113 124 124 GLY GLY d . n +X 20 114 PHE 114 125 125 PHE PHE d . n +X 20 115 MET 115 126 126 MET MET d . n +X 20 116 LEU 116 127 127 LEU LEU d . n +X 20 117 ARG 117 128 128 ARG ARG d . n +X 20 118 GLN 118 129 129 GLN GLN d . n +X 20 119 PHE 119 130 130 PHE PHE d . n +X 20 120 GLU 120 131 131 GLU GLU d . n +X 20 121 ILE 121 132 132 ILE ILE d . n +X 20 122 ALA 122 133 133 ALA ALA d . n +X 20 123 ARG 123 134 134 ARG ARG d . n +X 20 124 LEU 124 135 135 LEU LEU d . n +X 20 125 VAL 125 136 136 VAL VAL d . n +X 20 126 GLY 126 137 137 GLY GLY d . n +X 20 127 VAL 127 138 138 VAL VAL d . n +X 20 128 ARG 128 139 139 ARG ARG d . n +X 20 129 PRO 129 140 140 PRO PRO d . n +X 20 130 TYR 130 141 141 TYR TYR d . n +X 20 131 ASN 131 142 142 ASN ASN d . n +X 20 132 ALA 132 143 143 ALA ALA d . n +X 20 133 ILE 133 144 144 ILE ILE d . n +X 20 134 ALA 134 145 145 ALA ALA d . n +X 20 135 PHE 135 146 146 PHE PHE d . n +X 20 136 SER 136 147 147 SER SER d . n +X 20 137 ALA 137 148 148 ALA ALA d . n +X 20 138 PRO 138 149 149 PRO PRO d . n +X 20 139 ILE 139 150 150 ILE ILE d . n +X 20 140 ALA 140 151 151 ALA ALA d . n +X 20 141 VAL 141 152 152 VAL VAL d . n +X 20 142 PHE 142 153 153 PHE PHE d . n +X 20 143 VAL 143 154 154 VAL VAL d . n +X 20 144 SER 144 155 155 SER SER d . n +X 20 145 VAL 145 156 156 VAL VAL d . n +X 20 146 PHE 146 157 157 PHE PHE d . n +X 20 147 LEU 147 158 158 LEU LEU d . n +X 20 148 ILE 148 159 159 ILE ILE d . n +X 20 149 TYR 149 160 160 TYR TYR d . n +X 20 150 PRO 150 161 161 PRO PRO d . n +X 20 151 LEU 151 162 162 LEU LEU d . n +X 20 152 GLY 152 163 163 GLY GLY d . n +X 20 153 GLN 153 164 164 GLN GLN d . n +X 20 154 SER 154 165 165 SER SER d . n +X 20 155 SER 155 166 166 SER SER d . n +X 20 156 TRP 156 167 167 TRP TRP d . n +X 20 157 PHE 157 168 168 PHE PHE d . n +X 20 158 PHE 158 169 169 PHE PHE d . n +X 20 159 ALA 159 170 170 ALA ALA d . n +X 20 160 PRO 160 171 171 PRO PRO d . n +X 20 161 SER 161 172 172 SER SER d . n +X 20 162 PHE 162 173 173 PHE PHE d . n +X 20 163 GLY 163 174 174 GLY GLY d . n +X 20 164 VAL 164 175 175 VAL VAL d . n +X 20 165 ALA 165 176 176 ALA ALA d . n +X 20 166 ALA 166 177 177 ALA ALA d . n +X 20 167 ILE 167 178 178 ILE ILE d . n +X 20 168 PHE 168 179 179 PHE PHE d . n +X 20 169 ARG 169 180 180 ARG ARG d . n +X 20 170 PHE 170 181 181 PHE PHE d . n +X 20 171 LEU 171 182 182 LEU LEU d . n +X 20 172 LEU 172 183 183 LEU LEU d . n +X 20 173 PHE 173 184 184 PHE PHE d . n +X 20 174 PHE 174 185 185 PHE PHE d . n +X 20 175 GLN 175 186 186 GLN GLN d . n +X 20 176 GLY 176 187 187 GLY GLY d . n +X 20 177 PHE 177 188 188 PHE PHE d . n +X 20 178 HIS 178 189 189 HIS HIS d . n +X 20 179 ASN 179 190 190 ASN ASN d . n +X 20 180 TRP 180 191 191 TRP TRP d . n +X 20 181 THR 181 192 192 THR THR d . n +X 20 182 LEU 182 193 193 LEU LEU d . n +X 20 183 ASN 183 194 194 ASN ASN d . n +X 20 184 PRO 184 195 195 PRO PRO d . n +X 20 185 PHE 185 196 196 PHE PHE d . n +X 20 186 HIS 186 197 197 HIS HIS d . n +X 20 187 MET 187 198 198 MET MET d . n +X 20 188 MET 188 199 199 MET MET d . n +X 20 189 GLY 189 200 200 GLY GLY d . n +X 20 190 VAL 190 201 201 VAL VAL d . n +X 20 191 ALA 191 202 202 ALA ALA d . n +X 20 192 GLY 192 203 203 GLY GLY d . n +X 20 193 VAL 193 204 204 VAL VAL d . n +X 20 194 LEU 194 205 205 LEU LEU d . n +X 20 195 GLY 195 206 206 GLY GLY d . n +X 20 196 GLY 196 207 207 GLY GLY d . n +X 20 197 ALA 197 208 208 ALA ALA d . n +X 20 198 LEU 198 209 209 LEU LEU d . n +X 20 199 LEU 199 210 210 LEU LEU d . n +X 20 200 CYS 200 211 211 CYS CYS d . n +X 20 201 ALA 201 212 212 ALA ALA d . n +X 20 202 ILE 202 213 213 ILE ILE d . n +X 20 203 HIS 203 214 214 HIS HIS d . n +X 20 204 GLY 204 215 215 GLY GLY d . n +X 20 205 ALA 205 216 216 ALA ALA d . n +X 20 206 THR 206 217 217 THR THR d . n +X 20 207 VAL 207 218 218 VAL VAL d . n +X 20 208 GLU 208 219 219 GLU GLU d . n +X 20 209 ASN 209 220 220 ASN ASN d . n +X 20 210 THR 210 221 221 THR THR d . n +X 20 211 LEU 211 222 222 LEU LEU d . n +X 20 212 PHE 212 223 223 PHE PHE d . n +X 20 213 GLN 213 224 224 GLN GLN d . n +X 20 214 ASP 214 225 225 ASP ASP d . n +X 20 215 GLY 215 226 226 GLY GLY d . n +X 20 216 GLU 216 227 227 GLU GLU d . n +X 20 217 GLY 217 228 228 GLY GLY d . n +X 20 218 ALA 218 229 229 ALA ALA d . n +X 20 219 SER 219 230 230 SER SER d . n +X 20 220 THR 220 231 231 THR THR d . n +X 20 221 PHE 221 232 232 PHE PHE d . n +X 20 222 ARG 222 233 233 ARG ARG d . n +X 20 223 ALA 223 234 234 ALA ALA d . n +X 20 224 PHE 224 235 235 PHE PHE d . n +X 20 225 ASN 225 236 236 ASN ASN d . n +X 20 226 PRO 226 237 237 PRO PRO d . n +X 20 227 THR 227 238 238 THR THR d . n +X 20 228 GLN 228 239 239 GLN GLN d . n +X 20 229 ALA 229 240 240 ALA ALA d . n +X 20 230 GLU 230 241 241 GLU GLU d . n +X 20 231 GLU 231 242 242 GLU GLU d . n +X 20 232 THR 232 243 243 THR THR d . n +X 20 233 TYR 233 244 244 TYR TYR d . n +X 20 234 SER 234 245 245 SER SER d . n +X 20 235 MET 235 246 246 MET MET d . n +X 20 236 VAL 236 247 247 VAL VAL d . n +X 20 237 THR 237 248 248 THR THR d . n +X 20 238 ALA 238 249 249 ALA ALA d . n +X 20 239 ASN 239 250 250 ASN ASN d . n +X 20 240 ARG 240 251 251 ARG ARG d . n +X 20 241 PHE 241 252 252 PHE PHE d . n +X 20 242 TRP 242 253 253 TRP TRP d . n +X 20 243 SER 243 254 254 SER SER d . n +X 20 244 GLN 244 255 255 GLN GLN d . n +X 20 245 ILE 245 256 256 ILE ILE d . n +X 20 246 PHE 246 257 257 PHE PHE d . n +X 20 247 GLY 247 258 258 GLY GLY d . n +X 20 248 ILE 248 259 259 ILE ILE d . n +X 20 249 ALA 249 260 260 ALA ALA d . n +X 20 250 PHE 250 261 261 PHE PHE d . n +X 20 251 SER 251 262 262 SER SER d . n +X 20 252 ASN 252 263 263 ASN ASN d . n +X 20 253 LYS 253 264 264 LYS LYS d . n +X 20 254 ARG 254 265 265 ARG ARG d . n +X 20 255 TRP 255 266 266 TRP TRP d . n +X 20 256 LEU 256 267 267 LEU LEU d . n +X 20 257 HIS 257 268 268 HIS HIS d . n +X 20 258 PHE 258 269 269 PHE PHE d . n +X 20 259 PHE 259 270 270 PHE PHE d . n +X 20 260 MET 260 271 271 MET MET d . n +X 20 261 LEU 261 272 272 LEU LEU d . n +X 20 262 PHE 262 273 273 PHE PHE d . n +X 20 263 VAL 263 274 274 VAL VAL d . n +X 20 264 PRO 264 275 275 PRO PRO d . n +X 20 265 VAL 265 276 276 VAL VAL d . n +X 20 266 THR 266 277 277 THR THR d . n +X 20 267 GLY 267 278 278 GLY GLY d . n +X 20 268 LEU 268 279 279 LEU LEU d . n +X 20 269 TRP 269 280 280 TRP TRP d . n +X 20 270 MET 270 281 281 MET MET d . n +X 20 271 SER 271 282 282 SER SER d . n +X 20 272 ALA 272 283 283 ALA ALA d . n +X 20 273 ILE 273 284 284 ILE ILE d . n +X 20 274 GLY 274 285 285 GLY GLY d . n +X 20 275 VAL 275 286 286 VAL VAL d . n +X 20 276 VAL 276 287 287 VAL VAL d . n +X 20 277 GLY 277 288 288 GLY GLY d . n +X 20 278 LEU 278 289 289 LEU LEU d . n +X 20 279 ALA 279 290 290 ALA ALA d . n +X 20 280 LEU 280 291 291 LEU LEU d . n +X 20 281 ASN 281 292 292 ASN ASN d . n +X 20 282 LEU 282 293 293 LEU LEU d . n +X 20 283 ARG 283 294 294 ARG ARG d . n +X 20 284 SER 284 295 295 SER SER d . n +X 20 285 TYR 285 296 296 TYR TYR d . n +X 20 286 ASP 286 297 297 ASP ASP d . n +X 20 287 PHE 287 298 298 PHE PHE d . n +X 20 288 ILE 288 299 299 ILE ILE d . n +X 20 289 SER 289 300 300 SER SER d . n +X 20 290 GLN 290 301 301 GLN GLN d . n +X 20 291 GLU 291 302 302 GLU GLU d . n +X 20 292 ILE 292 303 303 ILE ILE d . n +X 20 293 ARG 293 304 304 ARG ARG d . n +X 20 294 ALA 294 305 305 ALA ALA d . n +X 20 295 ALA 295 306 306 ALA ALA d . n +X 20 296 GLU 296 307 307 GLU GLU d . n +X 20 297 ASP 297 308 308 ASP ASP d . n +X 20 298 PRO 298 309 309 PRO PRO d . n +X 20 299 GLU 299 310 310 GLU GLU d . n +X 20 300 PHE 300 311 311 PHE PHE d . n +X 20 301 GLU 301 312 312 GLU GLU d . n +X 20 302 THR 302 313 313 THR THR d . n +X 20 303 PHE 303 314 314 PHE PHE d . n +X 20 304 TYR 304 315 315 TYR TYR d . n +X 20 305 THR 305 316 316 THR THR d . n +X 20 306 LYS 306 317 317 LYS LYS d . n +X 20 307 ASN 307 318 318 ASN ASN d . n +X 20 308 LEU 308 319 319 LEU LEU d . n +X 20 309 LEU 309 320 320 LEU LEU d . n +X 20 310 LEU 310 321 321 LEU LEU d . n +X 20 311 ASN 311 322 322 ASN ASN d . n +X 20 312 GLU 312 323 323 GLU GLU d . n +X 20 313 GLY 313 324 324 GLY GLY d . n +X 20 314 ILE 314 325 325 ILE ILE d . n +X 20 315 ARG 315 326 326 ARG ARG d . n +X 20 316 ALA 316 327 327 ALA ALA d . n +X 20 317 TRP 317 328 328 TRP TRP d . n +X 20 318 MET 318 329 329 MET MET d . n +X 20 319 ALA 319 330 330 ALA ALA d . n +X 20 320 PRO 320 331 331 PRO PRO d . n +X 20 321 GLN 321 332 332 GLN GLN d . n +X 20 322 ASP 322 333 333 ASP ASP d . n +X 20 323 GLN 323 334 334 GLN GLN d . n +X 20 324 PRO 324 335 335 PRO PRO d . n +X 20 325 HIS 325 336 336 HIS HIS d . n +X 20 326 GLU 326 337 337 GLU GLU d . n +X 20 327 ASN 327 338 338 ASN ASN d . n +X 20 328 PHE 328 339 339 PHE PHE d . n +X 20 329 VAL 329 340 340 VAL VAL d . n +X 20 330 PHE 330 341 341 PHE PHE d . n +X 20 331 PRO 331 342 342 PRO PRO d . n +X 20 332 GLU 332 343 343 GLU GLU d . n +X 20 333 GLU 333 344 344 GLU GLU d . n +X 20 334 VAL 334 345 345 VAL VAL d . n +X 20 335 LEU 335 346 346 LEU LEU d . n +X 20 336 PRO 336 347 347 PRO PRO d . n +X 20 337 ARG 337 348 348 ARG ARG d . n +X 20 338 GLY 338 349 349 GLY GLY d . n +X 20 339 ASN 339 350 350 ASN ASN d . n +X 20 340 ALA 340 351 351 ALA ALA d . n +X 20 341 LEU 341 352 352 LEU LEU d . n +Y 21 1 GLY 1 6 6 GLY GLY e . n +Y 21 2 GLU 2 7 7 GLU GLU e . n +Y 21 3 ARG 3 8 8 ARG ARG e . n +Y 21 4 PRO 4 9 9 PRO PRO e . n +Y 21 5 PHE 5 10 10 PHE PHE e . n +Y 21 6 SER 6 11 11 SER SER e . n +Y 21 7 ASP 7 12 12 ASP ASP e . n +Y 21 8 ILE 8 13 13 ILE ILE e . n +Y 21 9 ILE 9 14 14 ILE ILE e . n +Y 21 10 THR 10 15 15 THR THR e . n +Y 21 11 SER 11 16 16 SER SER e . n +Y 21 12 VAL 12 17 17 VAL VAL e . n +Y 21 13 ARG 13 18 18 ARG ARG e . n +Y 21 14 TYR 14 19 19 TYR TYR e . n +Y 21 15 TRP 15 20 20 TRP TRP e . n +Y 21 16 VAL 16 21 21 VAL VAL e . n +Y 21 17 ILE 17 22 22 ILE ILE e . n +Y 21 18 HIS 18 23 23 HIS HIS e . n +Y 21 19 SER 19 24 24 SER SER e . n +Y 21 20 ILE 20 25 25 ILE ILE e . n +Y 21 21 THR 21 26 26 THR THR e . n +Y 21 22 ILE 22 27 27 ILE ILE e . n +Y 21 23 PRO 23 28 28 PRO PRO e . n +Y 21 24 ALA 24 29 29 ALA ALA e . n +Y 21 25 LEU 25 30 30 LEU LEU e . n +Y 21 26 PHE 26 31 31 PHE PHE e . n +Y 21 27 ILE 27 32 32 ILE ILE e . n +Y 21 28 ALA 28 33 33 ALA ALA e . n +Y 21 29 GLY 29 34 34 GLY GLY e . n +Y 21 30 TRP 30 35 35 TRP TRP e . n +Y 21 31 LEU 31 36 36 LEU LEU e . n +Y 21 32 PHE 32 37 37 PHE PHE e . n +Y 21 33 VAL 33 38 38 VAL VAL e . n +Y 21 34 SER 34 39 39 SER SER e . n +Y 21 35 THR 35 40 40 THR THR e . n +Y 21 36 GLY 36 41 41 GLY GLY e . n +Y 21 37 LEU 37 42 42 LEU LEU e . n +Y 21 38 ALA 38 43 43 ALA ALA e . n +Y 21 39 TYR 39 44 44 TYR TYR e . n +Y 21 40 ASP 40 45 45 ASP ASP e . n +Y 21 41 VAL 41 46 46 VAL VAL e . n +Y 21 42 PHE 42 47 47 PHE PHE e . n +Y 21 43 GLY 43 48 48 GLY GLY e . n +Y 21 44 THR 44 49 49 THR THR e . n +Y 21 45 PRO 45 50 50 PRO PRO e . n +Y 21 46 ARG 46 51 51 ARG ARG e . n +Y 21 47 PRO 47 52 52 PRO PRO e . n +Y 21 48 ASP 48 53 53 ASP ASP e . n +Y 21 49 SER 49 54 54 SER SER e . n +Y 21 50 TYR 50 55 55 TYR TYR e . n +Y 21 51 TYR 51 56 56 TYR TYR e . n +Y 21 52 ALA 52 57 57 ALA ALA e . n +Y 21 53 GLN 53 58 58 GLN GLN e . n +Y 21 54 GLU 54 59 59 GLU GLU e . n +Y 21 55 GLN 55 60 60 GLN GLN e . n +Y 21 56 ARG 56 61 61 ARG ARG e . n +Y 21 57 SER 57 62 62 SER SER e . n +Y 21 58 ILE 58 63 63 ILE ILE e . n +Y 21 59 PRO 59 64 64 PRO PRO e . n +Y 21 60 LEU 60 65 65 LEU LEU e . n +Y 21 61 VAL 61 66 66 VAL VAL e . n +Y 21 62 THR 62 67 67 THR THR e . n +Y 21 63 ASP 63 68 68 ASP ASP e . n +Y 21 64 ARG 64 69 69 ARG ARG e . n +Y 21 65 PHE 65 70 70 PHE PHE e . n +Y 21 66 GLU 66 71 71 GLU GLU e . n +Y 21 67 ALA 67 72 72 ALA ALA e . n +Y 21 68 LYS 68 73 73 LYS LYS e . n +Y 21 69 GLN 69 74 74 GLN GLN e . n +Y 21 70 GLN 70 75 75 GLN GLN e . n +Y 21 71 VAL 71 76 76 VAL VAL e . n +Y 21 72 GLU 72 77 77 GLU GLU e . n +Y 21 73 THR 73 78 78 THR THR e . n +Y 21 74 PHE 74 79 79 PHE PHE e . n +Y 21 75 LEU 75 80 80 LEU LEU e . n +Y 21 76 GLU 76 81 81 GLU GLU e . n +Y 21 77 GLN 77 82 82 GLN GLN e . n +Y 21 78 LEU 78 83 83 LEU LEU e . n +Y 21 79 LYS 79 84 84 LYS LYS e . n +Z 22 1 ILE 1 15 15 ILE ILE f . n +Z 22 2 PHE 2 16 16 PHE PHE f . n +Z 22 3 THR 3 17 17 THR THR f . n +Z 22 4 VAL 4 18 18 VAL VAL f . n +Z 22 5 ARG 5 19 19 ARG ARG f . n +Z 22 6 TRP 6 20 20 TRP TRP f . n +Z 22 7 VAL 7 21 21 VAL VAL f . n +Z 22 8 ALA 8 22 22 ALA ALA f . n +Z 22 9 VAL 9 23 23 VAL VAL f . n +Z 22 10 HIS 10 24 24 HIS HIS f . n +Z 22 11 THR 11 25 25 THR THR f . n +Z 22 12 LEU 12 26 26 LEU LEU f . n +Z 22 13 ALA 13 27 27 ALA ALA f . n +Z 22 14 VAL 14 28 28 VAL VAL f . n +Z 22 15 PRO 15 29 29 PRO PRO f . n +Z 22 16 THR 16 30 30 THR THR f . n +Z 22 17 ILE 17 31 31 ILE ILE f . n +Z 22 18 PHE 18 32 32 PHE PHE f . n +Z 22 19 PHE 19 33 33 PHE PHE f . n +Z 22 20 LEU 20 34 34 LEU LEU f . n +Z 22 21 GLY 21 35 35 GLY GLY f . n +Z 22 22 ALA 22 36 36 ALA ALA f . n +Z 22 23 ILE 23 37 37 ILE ILE f . n +Z 22 24 ALA 24 38 38 ALA ALA f . n +Z 22 25 ALA 25 39 39 ALA ALA f . n +Z 22 26 MET 26 40 40 MET MET f . n +Z 22 27 GLN 27 41 41 GLN GLN f . n +Z 22 28 PHE 28 42 42 PHE PHE f . n +Z 22 29 ILE 29 43 43 ILE ILE f . n +Z 22 30 GLN 30 44 44 GLN GLN f . n +Z 22 31 ARG 31 45 45 ARG ARG f . n +AA 7 1 ALA 1 2 2 ALA ALA h . n +AA 7 2 ARG 2 3 3 ARG ARG h . n +AA 7 3 ARG 3 4 4 ARG ARG h . n +AA 7 4 THR 4 5 5 THR THR h . n +AA 7 5 TRP 5 6 6 TRP TRP h . n +AA 7 6 LEU 6 7 7 LEU LEU h . n +AA 7 7 GLY 7 8 8 GLY GLY h . n +AA 7 8 ASP 8 9 9 ASP ASP h . n +AA 7 9 ILE 9 10 10 ILE ILE h . n +AA 7 10 LEU 10 11 11 LEU LEU h . n +AA 7 11 ARG 11 12 12 ARG ARG h . n +AA 7 12 PRO 12 13 13 PRO PRO h . n +AA 7 13 LEU 13 14 14 LEU LEU h . n +AA 7 14 ASN 14 15 15 ASN ASN h . n +AA 7 15 SER 15 16 16 SER SER h . n +AA 7 16 GLU 16 17 17 GLU GLU h . n +AA 7 17 TYR 17 18 18 TYR TYR h . n +AA 7 18 GLY 18 19 19 GLY GLY h . n +AA 7 19 LYS 19 20 20 LYS LYS h . n +AA 7 20 VAL 20 21 21 VAL VAL h . n +AA 7 21 ALA 21 22 22 ALA ALA h . n +AA 7 22 PRO 22 23 23 PRO PRO h . n +AA 7 23 GLY 23 24 24 GLY GLY h . n +AA 7 24 TRP 24 25 25 TRP TRP h . n +AA 7 25 GLY 25 26 26 GLY GLY h . n +AA 7 26 THR 26 27 27 THR THR h . n +AA 7 27 THR 27 28 28 THR THR h . n +AA 7 28 PRO 28 29 29 PRO PRO h . n +AA 7 29 LEU 29 30 30 LEU LEU h . n +AA 7 30 MET 30 31 31 MET MET h . n +AA 7 31 ALA 31 32 32 ALA ALA h . n +AA 7 32 VAL 32 33 33 VAL VAL h . n +AA 7 33 PHE 33 34 34 PHE PHE h . n +AA 7 34 MET 34 35 35 MET MET h . n +AA 7 35 GLY 35 36 36 GLY GLY h . n +AA 7 36 LEU 36 37 37 LEU LEU h . n +AA 7 37 PHE 37 38 38 PHE PHE h . n +AA 7 38 LEU 38 39 39 LEU LEU h . n +AA 7 39 VAL 39 40 40 VAL VAL h . n +AA 7 40 PHE 40 41 41 PHE PHE h . n +AA 7 41 LEU 41 42 42 LEU LEU h . n +AA 7 42 LEU 42 43 43 LEU LEU h . n +AA 7 43 ILE 43 44 44 ILE ILE h . n +AA 7 44 ILE 44 45 45 ILE ILE h . n +AA 7 45 LEU 45 46 46 LEU LEU h . n +AA 7 46 GLU 46 47 47 GLU GLU h . n +AA 7 47 ILE 47 48 48 ILE ILE h . n +AA 7 48 TYR 48 49 49 TYR TYR h . n +AA 7 49 ASN 49 50 50 ASN ASN h . n +AA 7 50 SER 50 51 51 SER SER h . n +AA 7 51 THR 51 52 52 THR THR h . n +AA 7 52 LEU 52 53 53 LEU LEU h . n +AA 7 53 ILE 53 54 54 ILE ILE h . n +AA 7 54 LEU 54 55 55 LEU LEU h . n +AA 7 55 ASP 55 56 56 ASP ASP h . n +AA 7 56 GLY 56 57 57 GLY GLY h . n +AA 7 57 VAL 57 58 58 VAL VAL h . n +AA 7 58 ASN 58 59 59 ASN ASN h . n +AA 7 59 VAL 59 60 60 VAL VAL h . n +AA 7 60 SER 60 61 61 SER SER h . n +AA 7 61 TRP 61 62 62 TRP TRP h . n +AA 7 62 LYS 62 63 63 LYS LYS h . n +AA 7 63 ALA 63 64 64 ALA ALA h . n +AA 7 64 LEU 64 65 65 LEU LEU h . n +AB 8 1 FME 1 1 1 FME FME i . n +AB 8 2 GLU 2 2 2 GLU GLU i . n +AB 8 3 THR 3 3 3 THR THR i . n +AB 8 4 LEU 4 4 4 LEU LEU i . n +AB 8 5 LYS 5 5 5 LYS LYS i . n +AB 8 6 ILE 6 6 6 ILE ILE i . n +AB 8 7 THR 7 7 7 THR THR i . n +AB 8 8 VAL 8 8 8 VAL VAL i . n +AB 8 9 TYR 9 9 9 TYR TYR i . n +AB 8 10 ILE 10 10 10 ILE ILE i . n +AB 8 11 VAL 11 11 11 VAL VAL i . n +AB 8 12 VAL 12 12 12 VAL VAL i . n +AB 8 13 THR 13 13 13 THR THR i . n +AB 8 14 PHE 14 14 14 PHE PHE i . n +AB 8 15 PHE 15 15 15 PHE PHE i . n +AB 8 16 VAL 16 16 16 VAL VAL i . n +AB 8 17 LEU 17 17 17 LEU LEU i . n +AB 8 18 LEU 18 18 18 LEU LEU i . n +AB 8 19 PHE 19 19 19 PHE PHE i . n +AB 8 20 VAL 20 20 20 VAL VAL i . n +AB 8 21 PHE 21 21 21 PHE PHE i . n +AB 8 22 GLY 22 22 22 GLY GLY i . n +AB 8 23 PHE 23 23 23 PHE PHE i . n +AB 8 24 LEU 24 24 24 LEU LEU i . n +AB 8 25 SER 25 25 25 SER SER i . n +AB 8 26 GLY 26 26 26 GLY GLY i . n +AB 8 27 ASP 27 27 27 ASP ASP i . n +AB 8 28 PRO 28 28 28 PRO PRO i . n +AB 8 29 ALA 29 29 29 ALA ALA i . n +AB 8 30 ARG 30 30 30 ARG ARG i . n +AB 8 31 ASN 31 31 31 ASN ASN i . n +AB 8 32 PRO 32 32 32 PRO PRO i . n +AB 8 33 LYS 33 33 33 LYS LYS i . n +AB 8 34 ARG 34 34 34 ARG ARG i . n +AB 8 35 LYS 35 35 35 LYS LYS i . n +AB 8 36 ASP 36 36 36 ASP ASP i . n +AB 8 37 LEU 37 37 37 LEU LEU i . n +AB 8 38 GLU 38 38 38 GLU GLU i . n +AC 23 1 MET 1 1 1 MET MET j . n +AC 23 2 SER 2 2 2 SER SER j . n +AC 23 3 GLU 3 3 3 GLU GLU j . n +AC 23 4 GLY 4 4 4 GLY GLY j . n +AC 23 5 GLY 5 5 5 GLY GLY j . n +AC 23 6 ARG 6 6 6 ARG ARG j . n +AC 23 7 ILE 7 7 7 ILE ILE j . n +AC 23 8 PRO 8 8 8 PRO PRO j . n +AC 23 9 LEU 9 9 9 LEU LEU j . n +AC 23 10 TRP 10 10 10 TRP TRP j . n +AC 23 11 ILE 11 11 11 ILE ILE j . n +AC 23 12 VAL 12 12 12 VAL VAL j . n +AC 23 13 ALA 13 13 13 ALA ALA j . n +AC 23 14 THR 14 14 14 THR THR j . n +AC 23 15 VAL 15 15 15 VAL VAL j . n +AC 23 16 ALA 16 16 16 ALA ALA j . n +AC 23 17 GLY 17 17 17 GLY GLY j . n +AC 23 18 MET 18 18 18 MET MET j . n +AC 23 19 GLY 19 19 19 GLY GLY j . n +AC 23 20 VAL 20 20 20 VAL VAL j . n +AC 23 21 ILE 21 21 21 ILE ILE j . n +AC 23 22 VAL 22 22 22 VAL VAL j . n +AC 23 23 ILE 23 23 23 ILE ILE j . n +AC 23 24 VAL 24 24 24 VAL VAL j . n +AC 23 25 GLY 25 25 25 GLY GLY j . n +AC 23 26 LEU 26 26 26 LEU LEU j . n +AC 23 27 PHE 27 27 27 PHE PHE j . n +AC 23 28 PHE 28 28 28 PHE PHE j . n +AC 23 29 TYR 29 29 29 TYR TYR j . n +AC 23 30 GLY 30 30 30 GLY GLY j . n +AC 23 31 ALA 31 31 31 ALA ALA j . n +AC 23 32 TYR 32 32 32 TYR TYR j . n +AC 23 33 ALA 33 33 33 ALA ALA j . n +AC 23 34 GLY 34 34 34 GLY GLY j . n +AC 23 35 LEU 35 35 35 LEU LEU j . n +AC 23 36 GLY 36 36 36 GLY GLY j . n +AC 23 37 SER 37 37 37 SER SER j . n +AC 23 38 SER 38 38 38 SER SER j . n +AC 23 39 LEU 39 39 39 LEU LEU j . n +AD 10 1 LYS 1 10 10 LYS LYS k . n +AD 10 2 LEU 2 11 11 LEU LEU k . n +AD 10 3 PRO 3 12 12 PRO PRO k . n +AD 10 4 GLU 4 13 13 GLU GLU k . n +AD 10 5 ALA 5 14 14 ALA ALA k . n +AD 10 6 TYR 6 15 15 TYR TYR k . n +AD 10 7 ALA 7 16 16 ALA ALA k . n +AD 10 8 ILE 8 17 17 ILE ILE k . n +AD 10 9 PHE 9 18 18 PHE PHE k . n +AD 10 10 ASP 10 19 19 ASP ASP k . n +AD 10 11 PRO 11 20 20 PRO PRO k . n +AD 10 12 LEU 12 21 21 LEU LEU k . n +AD 10 13 VAL 13 22 22 VAL VAL k . n +AD 10 14 ASP 14 23 23 ASP ASP k . n +AD 10 15 VAL 15 24 24 VAL VAL k . n +AD 10 16 LEU 16 25 25 LEU LEU k . n +AD 10 17 PRO 17 26 26 PRO PRO k . n +AD 10 18 VAL 18 27 27 VAL VAL k . n +AD 10 19 ILE 19 28 28 ILE ILE k . n +AD 10 20 PRO 20 29 29 PRO PRO k . n +AD 10 21 VAL 21 30 30 VAL VAL k . n +AD 10 22 LEU 22 31 31 LEU LEU k . n +AD 10 23 PHE 23 32 32 PHE PHE k . n +AD 10 24 LEU 24 33 33 LEU LEU k . n +AD 10 25 ALA 25 34 34 ALA ALA k . n +AD 10 26 LEU 26 35 35 LEU LEU k . n +AD 10 27 ALA 27 36 36 ALA ALA k . n +AD 10 28 PHE 28 37 37 PHE PHE k . n +AD 10 29 VAL 29 38 38 VAL VAL k . n +AD 10 30 TRP 30 39 39 TRP TRP k . n +AD 10 31 GLN 31 40 40 GLN GLN k . n +AD 10 32 ALA 32 41 41 ALA ALA k . n +AD 10 33 ALA 33 42 42 ALA ALA k . n +AD 10 34 VAL 34 43 43 VAL VAL k . n +AD 10 35 GLY 35 44 44 GLY GLY k . n +AD 10 36 PHE 36 45 45 PHE PHE k . n +AD 10 37 ARG 37 46 46 ARG ARG k . n +AE 11 1 GLU 1 2 2 GLU GLU l . n +AE 11 2 PRO 2 3 3 PRO PRO l . n +AE 11 3 ASN 3 4 4 ASN ASN l . n +AE 11 4 PRO 4 5 5 PRO PRO l . n +AE 11 5 ASN 5 6 6 ASN ASN l . n +AE 11 6 ARG 6 7 7 ARG ARG l . n +AE 11 7 GLN 7 8 8 GLN GLN l . n +AE 11 8 PRO 8 9 9 PRO PRO l . n +AE 11 9 VAL 9 10 10 VAL VAL l . n +AE 11 10 GLU 10 11 11 GLU GLU l . n +AE 11 11 LEU 11 12 12 LEU LEU l . n +AE 11 12 ASN 12 13 13 ASN ASN l . n +AE 11 13 ARG 13 14 14 ARG ARG l . n +AE 11 14 THR 14 15 15 THR THR l . n +AE 11 15 SER 15 16 16 SER SER l . n +AE 11 16 LEU 16 17 17 LEU LEU l . n +AE 11 17 TYR 17 18 18 TYR TYR l . n +AE 11 18 LEU 18 19 19 LEU LEU l . n +AE 11 19 GLY 19 20 20 GLY GLY l . n +AE 11 20 LEU 20 21 21 LEU LEU l . n +AE 11 21 LEU 21 22 22 LEU LEU l . n +AE 11 22 LEU 22 23 23 LEU LEU l . n +AE 11 23 ILE 23 24 24 ILE ILE l . n +AE 11 24 LEU 24 25 25 LEU LEU l . n +AE 11 25 VAL 25 26 26 VAL VAL l . n +AE 11 26 LEU 26 27 27 LEU LEU l . n +AE 11 27 ALA 27 28 28 ALA ALA l . n +AE 11 28 LEU 28 29 29 LEU LEU l . n +AE 11 29 LEU 29 30 30 LEU LEU l . n +AE 11 30 PHE 30 31 31 PHE PHE l . n +AE 11 31 SER 31 32 32 SER SER l . n +AE 11 32 SER 32 33 33 SER SER l . n +AE 11 33 TYR 33 34 34 TYR TYR l . n +AE 11 34 PHE 34 35 35 PHE PHE l . n +AE 11 35 PHE 35 36 36 PHE PHE l . n +AE 11 36 ASN 36 37 37 ASN ASN l . n +AF 24 1 FME 1 1 1 FME FME m . n +AF 24 2 GLU 2 2 2 GLU GLU m . n +AF 24 3 VAL 3 3 3 VAL VAL m . n +AF 24 4 ASN 4 4 4 ASN ASN m . n +AF 24 5 GLN 5 5 5 GLN GLN m . n +AF 24 6 LEU 6 6 6 LEU LEU m . n +AF 24 7 GLY 7 7 7 GLY GLY m . n +AF 24 8 LEU 8 8 8 LEU LEU m . n +AF 24 9 ILE 9 9 9 ILE ILE m . n +AF 24 10 ALA 10 10 10 ALA ALA m . n +AF 24 11 THR 11 11 11 THR THR m . n +AF 24 12 ALA 12 12 12 ALA ALA m . n +AF 24 13 LEU 13 13 13 LEU LEU m . n +AF 24 14 PHE 14 14 14 PHE PHE m . n +AF 24 15 VAL 15 15 15 VAL VAL m . n +AF 24 16 LEU 16 16 16 LEU LEU m . n +AF 24 17 VAL 17 17 17 VAL VAL m . n +AF 24 18 PRO 18 18 18 PRO PRO m . n +AF 24 19 SER 19 19 19 SER SER m . n +AF 24 20 VAL 20 20 20 VAL VAL m . n +AF 24 21 PHE 21 21 21 PHE PHE m . n +AF 24 22 LEU 22 22 22 LEU LEU m . n +AF 24 23 ILE 23 23 23 ILE ILE m . n +AF 24 24 ILE 24 24 24 ILE ILE m . n +AF 24 25 LEU 25 25 25 LEU LEU m . n +AF 24 26 TYR 26 26 26 TYR TYR m . n +AF 24 27 VAL 27 27 27 VAL VAL m . n +AF 24 28 GLN 28 28 28 GLN GLN m . n +AF 24 29 THR 29 29 29 THR THR m . n +AF 24 30 GLU 30 30 30 GLU GLU m . n +AF 24 31 SER 31 31 31 SER SER m . n +AF 24 32 GLN 32 32 32 GLN GLN m . n +AF 24 33 GLN 33 33 33 GLN GLN m . n +AF 24 34 LYS 34 34 34 LYS LYS m . n +AG 13 1 THR 1 4 4 THR THR o . n +AG 13 2 LEU 2 5 5 LEU LEU o . n +AG 13 3 THR 3 6 6 THR THR o . n +AG 13 4 TYR 4 7 7 TYR TYR o . n +AG 13 5 ASP 5 8 8 ASP ASP o . n +AG 13 6 ASP 6 9 9 ASP ASP o . n +AG 13 7 ILE 7 10 10 ILE ILE o . n +AG 13 8 VAL 8 11 11 VAL VAL o . n +AG 13 9 GLY 9 12 12 GLY GLY o . n +AG 13 10 THR 10 13 13 THR THR o . n +AG 13 11 GLY 11 14 14 GLY GLY o . n +AG 13 12 LEU 12 15 15 LEU LEU o . n +AG 13 13 ALA 13 16 16 ALA ALA o . n +AG 13 14 ASN 14 17 17 ASN ASN o . n +AG 13 15 LYS 15 18 18 LYS LYS o . n +AG 13 16 CYS 16 19 19 CYS CYS o . n +AG 13 17 PRO 17 20 20 PRO PRO o . n +AG 13 18 THR 18 21 21 THR THR o . n +AG 13 19 LEU 19 22 22 LEU LEU o . n +AG 13 20 ASP 20 23 23 ASP ASP o . n +AG 13 21 ASP 21 24 24 ASP ASP o . n +AG 13 22 THR 22 25 25 THR THR o . n +AG 13 23 ALA 23 26 26 ALA ALA o . n +AG 13 24 ARG 24 27 27 ARG ARG o . n +AG 13 25 GLY 25 28 28 GLY GLY o . n +AG 13 26 ALA 26 29 29 ALA ALA o . n +AG 13 27 TYR 27 30 30 TYR TYR o . n +AG 13 28 PRO 28 31 31 PRO PRO o . n +AG 13 29 ILE 29 32 32 ILE ILE o . n +AG 13 30 ASP 30 33 33 ASP ASP o . n +AG 13 31 SER 31 34 34 SER SER o . n +AG 13 32 SER 32 35 35 SER SER o . n +AG 13 33 GLN 33 36 36 GLN GLN o . n +AG 13 34 THR 34 37 37 THR THR o . n +AG 13 35 TYR 35 38 38 TYR TYR o . n +AG 13 36 ARG 36 39 39 ARG ARG o . n +AG 13 37 ILE 37 40 40 ILE ILE o . n +AG 13 38 ALA 38 41 41 ALA ALA o . n +AG 13 39 ARG 39 42 42 ARG ARG o . n +AG 13 40 LEU 40 43 43 LEU LEU o . n +AG 13 41 CYS 41 44 44 CYS CYS o . n +AG 13 42 LEU 42 45 45 LEU LEU o . n +AG 13 43 GLN 43 46 46 GLN GLN o . n +AG 13 44 PRO 44 47 47 PRO PRO o . n +AG 13 45 THR 45 48 48 THR THR o . n +AG 13 46 THR 46 49 49 THR THR o . n +AG 13 47 PHE 47 50 50 PHE PHE o . n +AG 13 48 LEU 48 51 51 LEU LEU o . n +AG 13 49 VAL 49 52 52 VAL VAL o . n +AG 13 50 LYS 50 53 53 LYS LYS o . n +AG 13 51 GLU 51 54 54 GLU GLU o . n +AG 13 52 GLU 52 55 55 GLU GLU o . n +AG 13 53 PRO 53 56 56 PRO PRO o . n +AG 13 54 LYS 54 57 57 LYS LYS o . n +AG 13 55 ASN 55 58 58 ASN ASN o . n +AG 13 56 LYS 56 59 59 LYS LYS o . n +AG 13 57 ARG 57 60 60 ARG ARG o . n +AG 13 58 GLN 58 61 61 GLN GLN o . n +AG 13 59 GLU 59 62 62 GLU GLU o . n +AG 13 60 ALA 60 63 63 ALA ALA o . n +AG 13 61 GLU 61 64 64 GLU GLU o . n +AG 13 62 PHE 62 65 65 PHE PHE o . n +AG 13 63 VAL 63 66 66 VAL VAL o . n +AG 13 64 PRO 64 67 67 PRO PRO o . n +AG 13 65 THR 65 68 68 THR THR o . n +AG 13 66 LYS 66 69 69 LYS LYS o . n +AG 13 67 LEU 67 70 70 LEU LEU o . n +AG 13 68 VAL 68 71 71 VAL VAL o . n +AG 13 69 THR 69 72 72 THR THR o . n +AG 13 70 ARG 70 73 73 ARG ARG o . n +AG 13 71 GLU 71 74 74 GLU GLU o . n +AG 13 72 THR 72 75 75 THR THR o . n +AG 13 73 THR 73 76 76 THR THR o . n +AG 13 74 SER 74 77 77 SER SER o . n +AG 13 75 LEU 75 78 78 LEU LEU o . n +AG 13 76 ASP 76 79 79 ASP ASP o . n +AG 13 77 GLN 77 80 80 GLN GLN o . n +AG 13 78 ILE 78 81 81 ILE ILE o . n +AG 13 79 GLN 79 82 82 GLN GLN o . n +AG 13 80 GLY 80 83 83 GLY GLY o . n +AG 13 81 GLU 81 84 84 GLU GLU o . n +AG 13 82 LEU 82 85 85 LEU LEU o . n +AG 13 83 LYS 83 86 86 LYS LYS o . n +AG 13 84 VAL 84 87 87 VAL VAL o . n +AG 13 85 ASN 85 88 88 ASN ASN o . n +AG 13 86 SER 86 89 89 SER SER o . n +AG 13 87 ASP 87 90 90 ASP ASP o . n +AG 13 88 GLY 88 91 91 GLY GLY o . n +AG 13 89 SER 89 92 92 SER SER o . n +AG 13 90 LEU 90 93 93 LEU LEU o . n +AG 13 91 THR 91 94 94 THR THR o . n +AG 13 92 PHE 92 95 95 PHE PHE o . n +AG 13 93 VAL 93 96 96 VAL VAL o . n +AG 13 94 GLU 94 97 97 GLU GLU o . n +AG 13 95 GLU 95 98 98 GLU GLU o . n +AG 13 96 ASP 96 99 99 ASP ASP o . n +AG 13 97 GLY 97 100 100 GLY GLY o . n +AG 13 98 ILE 98 101 101 ILE ILE o . n +AG 13 99 ASP 99 102 102 ASP ASP o . n +AG 13 100 PHE 100 103 103 PHE PHE o . n +AG 13 101 GLN 101 104 104 GLN GLN o . n +AG 13 102 PRO 102 105 105 PRO PRO o . n +AG 13 103 VAL 103 106 106 VAL VAL o . n +AG 13 104 THR 104 107 107 THR THR o . n +AG 13 105 VAL 105 108 108 VAL VAL o . n +AG 13 106 GLN 106 109 109 GLN GLN o . n +AG 13 107 MET 107 110 110 MET MET o . n +AG 13 108 ALA 108 111 111 ALA ALA o . n +AG 13 109 GLY 109 112 112 GLY GLY o . n +AG 13 110 GLY 110 113 113 GLY GLY o . n +AG 13 111 GLU 111 114 114 GLU GLU o . n +AG 13 112 ARG 112 115 115 ARG ARG o . n +AG 13 113 ILE 113 116 116 ILE ILE o . n +AG 13 114 PRO 114 117 117 PRO PRO o . n +AG 13 115 LEU 115 118 118 LEU LEU o . n +AG 13 116 LEU 116 119 119 LEU LEU o . n +AG 13 117 PHE 117 120 120 PHE PHE o . n +AG 13 118 THR 118 121 121 THR THR o . n +AG 13 119 VAL 119 122 122 VAL VAL o . n +AG 13 120 LYS 120 123 123 LYS LYS o . n +AG 13 121 ASN 121 124 124 ASN ASN o . n +AG 13 122 LEU 122 125 125 LEU LEU o . n +AG 13 123 VAL 123 126 126 VAL VAL o . n +AG 13 124 ALA 124 127 127 ALA ALA o . n +AG 13 125 SER 125 128 128 SER SER o . n +AG 13 126 THR 126 129 129 THR THR o . n +AG 13 127 GLN 127 130 130 GLN GLN o . n +AG 13 128 PRO 128 131 131 PRO PRO o . n +AG 13 129 ASN 129 132 132 ASN ASN o . n +AG 13 130 VAL 130 133 133 VAL VAL o . n +AG 13 131 THR 131 134 134 THR THR o . n +AG 13 132 SER 132 135 135 SER SER o . n +AG 13 133 ILE 133 136 136 ILE ILE o . n +AG 13 134 THR 134 137 137 THR THR o . n +AG 13 135 THR 135 138 138 THR THR o . n +AG 13 136 SER 136 139 139 SER SER o . n +AG 13 137 THR 137 140 140 THR THR o . n +AG 13 138 ASP 138 141 141 ASP ASP o . n +AG 13 139 PHE 139 142 142 PHE PHE o . n +AG 13 140 LYS 140 143 143 LYS LYS o . n +AG 13 141 GLY 141 144 144 GLY GLY o . n +AG 13 142 GLU 142 145 145 GLU GLU o . n +AG 13 143 PHE 143 146 146 PHE PHE o . n +AG 13 144 ASN 144 147 147 ASN ASN o . n +AG 13 145 VAL 145 148 148 VAL VAL o . n +AG 13 146 PRO 146 149 149 PRO PRO o . n +AG 13 147 SER 147 150 150 SER SER o . n +AG 13 148 TYR 148 151 151 TYR TYR o . n +AG 13 149 ARG 149 152 152 ARG ARG o . n +AG 13 150 THR 150 153 153 THR THR o . n +AG 13 151 ALA 151 154 154 ALA ALA o . n +AG 13 152 ASN 152 155 155 ASN ASN o . n +AG 13 153 PHE 153 156 156 PHE PHE o . n +AG 13 154 LEU 154 157 157 LEU LEU o . n +AG 13 155 ASP 155 158 158 ASP ASP o . n +AG 13 156 PRO 156 159 159 PRO PRO o . n +AG 13 157 LYS 157 160 160 LYS LYS o . n +AG 13 158 GLY 158 161 161 GLY GLY o . n +AG 13 159 ARG 159 162 162 ARG ARG o . n +AG 13 160 GLY 160 163 163 GLY GLY o . n +AG 13 161 LEU 161 164 164 LEU LEU o . n +AG 13 162 ALA 162 165 165 ALA ALA o . n +AG 13 163 SER 163 166 166 SER SER o . n +AG 13 164 GLY 164 167 167 GLY GLY o . n +AG 13 165 TYR 165 168 168 TYR TYR o . n +AG 13 166 ASP 166 169 169 ASP ASP o . n +AG 13 167 SER 167 170 170 SER SER o . n +AG 13 168 ALA 168 171 171 ALA ALA o . n +AG 13 169 ILE 169 172 172 ILE ILE o . n +AG 13 170 ALA 170 173 173 ALA ALA o . n +AG 13 171 LEU 171 174 174 LEU LEU o . n +AG 13 172 PRO 172 175 175 PRO PRO o . n +AG 13 173 GLN 173 176 176 GLN GLN o . n +AG 13 174 ALA 174 177 177 ALA ALA o . n +AG 13 175 LYS 175 178 178 LYS LYS o . n +AG 13 176 GLU 176 179 179 GLU GLU o . n +AG 13 177 GLU 177 180 180 GLU GLU o . n +AG 13 178 GLU 178 181 181 GLU GLU o . n +AG 13 179 LEU 179 182 182 LEU LEU o . n +AG 13 180 ALA 180 183 183 ALA ALA o . n +AG 13 181 ARG 181 184 184 ARG ARG o . n +AG 13 182 ALA 182 185 185 ALA ALA o . n +AG 13 183 ASN 183 186 186 ASN ASN o . n +AG 13 184 VAL 184 187 187 VAL VAL o . n +AG 13 185 LYS 185 188 188 LYS LYS o . n +AG 13 186 ARG 186 189 189 ARG ARG o . n +AG 13 187 PHE 187 190 190 PHE PHE o . n +AG 13 188 SER 188 191 191 SER SER o . n +AG 13 189 LEU 189 192 192 LEU LEU o . n +AG 13 190 THR 190 193 193 THR THR o . n +AG 13 191 LYS 191 194 194 LYS LYS o . n +AG 13 192 GLY 192 195 195 GLY GLY o . n +AG 13 193 GLN 193 196 196 GLN GLN o . n +AG 13 194 ILE 194 197 197 ILE ILE o . n +AG 13 195 SER 195 198 198 SER SER o . n +AG 13 196 LEU 196 199 199 LEU LEU o . n +AG 13 197 ASN 197 200 200 ASN ASN o . n +AG 13 198 VAL 198 201 201 VAL VAL o . n +AG 13 199 ALA 199 202 202 ALA ALA o . n +AG 13 200 LYS 200 203 203 LYS LYS o . n +AG 13 201 VAL 201 204 204 VAL VAL o . n +AG 13 202 ASP 202 205 205 ASP ASP o . n +AG 13 203 GLY 203 206 206 GLY GLY o . n +AG 13 204 ARG 204 207 207 ARG ARG o . n +AG 13 205 THR 205 208 208 THR THR o . n +AG 13 206 GLY 206 209 209 GLY GLY o . n +AG 13 207 GLU 207 210 210 GLU GLU o . n +AG 13 208 ILE 208 211 211 ILE ILE o . n +AG 13 209 ALA 209 212 212 ALA ALA o . n +AG 13 210 GLY 210 213 213 GLY GLY o . n +AG 13 211 THR 211 214 214 THR THR o . n +AG 13 212 PHE 212 215 215 PHE PHE o . n +AG 13 213 GLU 213 216 216 GLU GLU o . n +AG 13 214 SER 214 217 217 SER SER o . n +AG 13 215 GLU 215 218 218 GLU GLU o . n +AG 13 216 GLN 216 219 219 GLN GLN o . n +AG 13 217 LEU 217 220 220 LEU LEU o . n +AG 13 218 SER 218 221 221 SER SER o . n +AG 13 219 ASP 219 222 222 ASP ASP o . n +AG 13 220 ASP 220 223 223 ASP ASP o . n +AG 13 221 ASP 221 224 224 ASP ASP o . n +AG 13 222 MET 222 225 225 MET MET o . n +AG 13 223 GLY 223 226 226 GLY GLY o . n +AG 13 224 ALA 224 227 227 ALA ALA o . n +AG 13 225 HIS 225 228 228 HIS HIS o . n +AG 13 226 GLU 226 229 229 GLU GLU o . n +AG 13 227 PRO 227 230 230 PRO PRO o . n +AG 13 228 HIS 228 231 231 HIS HIS o . n +AG 13 229 GLU 229 232 232 GLU GLU o . n +AG 13 230 VAL 230 233 233 VAL VAL o . n +AG 13 231 LYS 231 234 234 LYS LYS o . n +AG 13 232 ILE 232 235 235 ILE ILE o . n +AG 13 233 GLN 233 236 236 GLN GLN o . n +AG 13 234 GLY 234 237 237 GLY GLY o . n +AG 13 235 VAL 235 238 238 VAL VAL o . n +AG 13 236 PHE 236 239 239 PHE PHE o . n +AG 13 237 TYR 237 240 240 TYR TYR o . n +AG 13 238 ALA 238 241 241 ALA ALA o . n +AG 13 239 SER 239 242 242 SER SER o . n +AG 13 240 ILE 240 243 243 ILE ILE o . n +AG 13 241 GLU 241 244 244 GLU GLU o . n +AG 13 242 PRO 242 245 245 PRO PRO o . n +AG 13 243 ALA 243 246 246 ALA ALA o . n +AH 14 1 FME 1 1 1 FME FME t . n +AH 14 2 GLU 2 2 2 GLU GLU t . n +AH 14 3 THR 3 3 3 THR THR t . n +AH 14 4 ILE 4 4 4 ILE ILE t . n +AH 14 5 THR 5 5 5 THR THR t . n +AH 14 6 TYR 6 6 6 TYR TYR t . n +AH 14 7 VAL 7 7 7 VAL VAL t . n +AH 14 8 PHE 8 8 8 PHE PHE t . n +AH 14 9 ILE 9 9 9 ILE ILE t . n +AH 14 10 PHE 10 10 10 PHE PHE t . n +AH 14 11 ALA 11 11 11 ALA ALA t . n +AH 14 12 CYS 12 12 12 CYS CYS t . n +AH 14 13 ILE 13 13 13 ILE ILE t . n +AH 14 14 ILE 14 14 14 ILE ILE t . n +AH 14 15 ALA 15 15 15 ALA ALA t . n +AH 14 16 LEU 16 16 16 LEU LEU t . n +AH 14 17 PHE 17 17 17 PHE PHE t . n +AH 14 18 PHE 18 18 18 PHE PHE t . n +AH 14 19 PHE 19 19 19 PHE PHE t . n +AH 14 20 ALA 20 20 20 ALA ALA t . n +AH 14 21 ILE 21 21 21 ILE ILE t . n +AH 14 22 PHE 22 22 22 PHE PHE t . n +AH 14 23 PHE 23 23 23 PHE PHE t . n +AH 14 24 ARG 24 24 24 ARG ARG t . n +AH 14 25 GLU 25 25 25 GLU GLU t . n +AH 14 26 PRO 26 26 26 PRO PRO t . n +AH 14 27 PRO 27 27 27 PRO PRO t . n +AH 14 28 ARG 28 28 28 ARG ARG t . n +AH 14 29 ILE 29 29 29 ILE ILE t . n +AH 14 30 THR 30 30 30 THR THR t . n +AI 25 1 GLU 1 8 8 GLU GLU u . n +AI 25 2 LEU 2 9 9 LEU LEU u . n +AI 25 3 VAL 3 10 10 VAL VAL u . n +AI 25 4 ASN 4 11 11 ASN ASN u . n +AI 25 5 VAL 5 12 12 VAL VAL u . n +AI 25 6 VAL 6 13 13 VAL VAL u . n +AI 25 7 ASP 7 14 14 ASP ASP u . n +AI 25 8 GLU 8 15 15 GLU GLU u . n +AI 25 9 LYS 9 16 16 LYS LYS u . n +AI 25 10 LEU 10 17 17 LEU LEU u . n +AI 25 11 GLY 11 18 18 GLY GLY u . n +AI 25 12 THR 12 19 19 THR THR u . n +AI 25 13 ALA 13 20 20 ALA ALA u . n +AI 25 14 TYR 14 21 21 TYR TYR u . n +AI 25 15 GLY 15 22 22 GLY GLY u . n +AI 25 16 GLU 16 23 23 GLU GLU u . n +AI 25 17 LYS 17 24 24 LYS LYS u . n +AI 25 18 ILE 18 25 25 ILE ILE u . n +AI 25 19 ASP 19 26 26 ASP ASP u . n +AI 25 20 LEU 20 27 27 LEU LEU u . n +AI 25 21 ASN 21 28 28 ASN ASN u . n +AI 25 22 ASN 22 29 29 ASN ASN u . n +AI 25 23 THR 23 30 30 THR THR u . n +AI 25 24 ASN 24 31 31 ASN ASN u . n +AI 25 25 ILE 25 32 32 ILE ILE u . n +AI 25 26 ALA 26 33 33 ALA ALA u . n +AI 25 27 ALA 27 34 34 ALA ALA u . n +AI 25 28 PHE 28 35 35 PHE PHE u . n +AI 25 29 ILE 29 36 36 ILE ILE u . n +AI 25 30 GLN 30 37 37 GLN GLN u . n +AI 25 31 TYR 31 38 38 TYR TYR u . n +AI 25 32 ARG 32 39 39 ARG ARG u . n +AI 25 33 GLY 33 40 40 GLY GLY u . n +AI 25 34 LEU 34 41 41 LEU LEU u . n +AI 25 35 TYR 35 42 42 TYR TYR u . n +AI 25 36 PRO 36 43 43 PRO PRO u . n +AI 25 37 THR 37 44 44 THR THR u . n +AI 25 38 LEU 38 45 45 LEU LEU u . n +AI 25 39 ALA 39 46 46 ALA ALA u . n +AI 25 40 LYS 40 47 47 LYS LYS u . n +AI 25 41 LEU 41 48 48 LEU LEU u . n +AI 25 42 ILE 42 49 49 ILE ILE u . n +AI 25 43 VAL 43 50 50 VAL VAL u . n +AI 25 44 LYS 44 51 51 LYS LYS u . n +AI 25 45 ASN 45 52 52 ASN ASN u . n +AI 25 46 ALA 46 53 53 ALA ALA u . n +AI 25 47 PRO 47 54 54 PRO PRO u . n +AI 25 48 TYR 48 55 55 TYR TYR u . n +AI 25 49 GLU 49 56 56 GLU GLU u . n +AI 25 50 SER 50 57 57 SER SER u . n +AI 25 51 VAL 51 58 58 VAL VAL u . n +AI 25 52 GLU 52 59 59 GLU GLU u . n +AI 25 53 ASP 53 60 60 ASP ASP u . n +AI 25 54 VAL 54 61 61 VAL VAL u . n +AI 25 55 LEU 55 62 62 LEU LEU u . n +AI 25 56 ASN 56 63 63 ASN ASN u . n +AI 25 57 ILE 57 64 64 ILE ILE u . n +AI 25 58 PRO 58 65 65 PRO PRO u . n +AI 25 59 GLY 59 66 66 GLY GLY u . n +AI 25 60 LEU 60 67 67 LEU LEU u . n +AI 25 61 THR 61 68 68 THR THR u . n +AI 25 62 GLU 62 69 69 GLU GLU u . n +AI 25 63 ARG 63 70 70 ARG ARG u . n +AI 25 64 GLN 64 71 71 GLN GLN u . n +AI 25 65 LYS 65 72 72 LYS LYS u . n +AI 25 66 GLN 66 73 73 GLN GLN u . n +AI 25 67 ILE 67 74 74 ILE ILE u . n +AI 25 68 LEU 68 75 75 LEU LEU u . n +AI 25 69 ARG 69 76 76 ARG ARG u . n +AI 25 70 GLU 70 77 77 GLU GLU u . n +AI 25 71 ASN 71 78 78 ASN ASN u . n +AI 25 72 LEU 72 79 79 LEU LEU u . n +AI 25 73 GLU 73 80 80 GLU GLU u . n +AI 25 74 HIS 74 81 81 HIS HIS u . n +AI 25 75 PHE 75 82 82 PHE PHE u . n +AI 25 76 THR 76 83 83 THR THR u . n +AI 25 77 VAL 77 84 84 VAL VAL u . n +AI 25 78 THR 78 85 85 THR THR u . n +AI 25 79 GLU 79 86 86 GLU GLU u . n +AI 25 80 VAL 80 87 87 VAL VAL u . n +AI 25 81 GLU 81 88 88 GLU GLU u . n +AI 25 82 THR 82 89 89 THR THR u . n +AI 25 83 ALA 83 90 90 ALA ALA u . n +AI 25 84 LEU 84 91 91 LEU LEU u . n +AI 25 85 VAL 85 92 92 VAL VAL u . n +AI 25 86 GLU 86 93 93 GLU GLU u . n +AI 25 87 GLY 87 94 94 GLY GLY u . n +AI 25 88 GLY 88 95 95 GLY GLY u . n +AI 25 89 ASP 89 96 96 ASP ASP u . n +AI 25 90 ARG 90 97 97 ARG ARG u . n +AI 25 91 TYR 91 98 98 TYR TYR u . n +AI 25 92 ASN 92 99 99 ASN ASN u . n +AI 25 93 ASN 93 100 100 ASN ASN u . n +AI 25 94 GLY 94 101 101 GLY GLY u . n +AI 25 95 LEU 95 102 102 LEU LEU u . n +AI 25 96 TYR 96 103 103 TYR TYR u . n +AI 25 97 LYS 97 104 104 LYS LYS u . n +AJ 16 1 ALA 1 1 1 ALA ALA v . n +AJ 16 2 GLU 2 2 2 GLU GLU v . n +AJ 16 3 LEU 3 3 3 LEU LEU v . n +AJ 16 4 THR 4 4 4 THR THR v . n +AJ 16 5 PRO 5 5 5 PRO PRO v . n +AJ 16 6 GLU 6 6 6 GLU GLU v . n +AJ 16 7 VAL 7 7 7 VAL VAL v . n +AJ 16 8 LEU 8 8 8 LEU LEU v . n +AJ 16 9 THR 9 9 9 THR THR v . n +AJ 16 10 VAL 10 10 10 VAL VAL v . n +AJ 16 11 PRO 11 11 11 PRO PRO v . n +AJ 16 12 LEU 12 12 12 LEU LEU v . n +AJ 16 13 ASN 13 13 13 ASN ASN v . n +AJ 16 14 SER 14 14 14 SER SER v . n +AJ 16 15 GLU 15 15 15 GLU GLU v . n +AJ 16 16 GLY 16 16 16 GLY GLY v . n +AJ 16 17 LYS 17 17 17 LYS LYS v . n +AJ 16 18 THR 18 18 18 THR THR v . n +AJ 16 19 ILE 19 19 19 ILE ILE v . n +AJ 16 20 THR 20 20 20 THR THR v . n +AJ 16 21 LEU 21 21 21 LEU LEU v . n +AJ 16 22 THR 22 22 22 THR THR v . n +AJ 16 23 GLU 23 23 23 GLU GLU v . n +AJ 16 24 LYS 24 24 24 LYS LYS v . n +AJ 16 25 GLN 25 25 25 GLN GLN v . n +AJ 16 26 TYR 26 26 26 TYR TYR v . n +AJ 16 27 LEU 27 27 27 LEU LEU v . n +AJ 16 28 GLU 28 28 28 GLU GLU v . n +AJ 16 29 GLY 29 29 29 GLY GLY v . n +AJ 16 30 LYS 30 30 30 LYS LYS v . n +AJ 16 31 ARG 31 31 31 ARG ARG v . n +AJ 16 32 LEU 32 32 32 LEU LEU v . n +AJ 16 33 PHE 33 33 33 PHE PHE v . n +AJ 16 34 GLN 34 34 34 GLN GLN v . n +AJ 16 35 TYR 35 35 35 TYR TYR v . n +AJ 16 36 ALA 36 36 36 ALA ALA v . n +AJ 16 37 CYS 37 37 37 CYS CYS v . n +AJ 16 38 ALA 38 38 38 ALA ALA v . n +AJ 16 39 SER 39 39 39 SER SER v . n +AJ 16 40 CYS 40 40 40 CYS CYS v . n +AJ 16 41 HIS 41 41 41 HIS HIS v . n +AJ 16 42 VAL 42 42 42 VAL VAL v . n +AJ 16 43 GLY 43 43 43 GLY GLY v . n +AJ 16 44 GLY 44 44 44 GLY GLY v . n +AJ 16 45 ILE 45 45 45 ILE ILE v . n +AJ 16 46 THR 46 46 46 THR THR v . n +AJ 16 47 LYS 47 47 47 LYS LYS v . n +AJ 16 48 THR 48 48 48 THR THR v . n +AJ 16 49 ASN 49 49 49 ASN ASN v . n +AJ 16 50 PRO 50 50 50 PRO PRO v . n +AJ 16 51 SER 51 51 51 SER SER v . n +AJ 16 52 LEU 52 52 52 LEU LEU v . n +AJ 16 53 ASP 53 53 53 ASP ASP v . n +AJ 16 54 LEU 54 54 54 LEU LEU v . n +AJ 16 55 ARG 55 55 55 ARG ARG v . n +AJ 16 56 THR 56 56 56 THR THR v . n +AJ 16 57 GLU 57 57 57 GLU GLU v . n +AJ 16 58 THR 58 58 58 THR THR v . n +AJ 16 59 LEU 59 59 59 LEU LEU v . n +AJ 16 60 ALA 60 60 60 ALA ALA v . n +AJ 16 61 LEU 61 61 61 LEU LEU v . n +AJ 16 62 ALA 62 62 62 ALA ALA v . n +AJ 16 63 THR 63 63 63 THR THR v . n +AJ 16 64 PRO 64 64 64 PRO PRO v . n +AJ 16 65 PRO 65 65 65 PRO PRO v . n +AJ 16 66 ARG 66 66 66 ARG ARG v . n +AJ 16 67 ASP 67 67 67 ASP ASP v . n +AJ 16 68 ASN 68 68 68 ASN ASN v . n +AJ 16 69 ILE 69 69 69 ILE ILE v . n +AJ 16 70 GLU 70 70 70 GLU GLU v . n +AJ 16 71 GLY 71 71 71 GLY GLY v . n +AJ 16 72 LEU 72 72 72 LEU LEU v . n +AJ 16 73 VAL 73 73 73 VAL VAL v . n +AJ 16 74 ASP 74 74 74 ASP ASP v . n +AJ 16 75 TYR 75 75 75 TYR TYR v . n +AJ 16 76 MET 76 76 76 MET MET v . n +AJ 16 77 LYS 77 77 77 LYS LYS v . n +AJ 16 78 ASN 78 78 78 ASN ASN v . n +AJ 16 79 PRO 79 79 79 PRO PRO v . n +AJ 16 80 THR 80 80 80 THR THR v . n +AJ 16 81 THR 81 81 81 THR THR v . n +AJ 16 82 TYR 82 82 82 TYR TYR v . n +AJ 16 83 ASP 83 83 83 ASP ASP v . n +AJ 16 84 GLY 84 84 84 GLY GLY v . n +AJ 16 85 GLU 85 85 85 GLU GLU v . n +AJ 16 86 GLN 86 86 86 GLN GLN v . n +AJ 16 87 GLU 87 87 87 GLU GLU v . n +AJ 16 88 ILE 88 88 88 ILE ILE v . n +AJ 16 89 ALA 89 89 89 ALA ALA v . n +AJ 16 90 GLU 90 90 90 GLU GLU v . n +AJ 16 91 VAL 91 91 91 VAL VAL v . n +AJ 16 92 HIS 92 92 92 HIS HIS v . n +AJ 16 93 PRO 93 93 93 PRO PRO v . n +AJ 16 94 SER 94 94 94 SER SER v . n +AJ 16 95 LEU 95 95 95 LEU LEU v . n +AJ 16 96 ARG 96 96 96 ARG ARG v . n +AJ 16 97 SER 97 97 97 SER SER v . n +AJ 16 98 ALA 98 98 98 ALA ALA v . n +AJ 16 99 ASP 99 99 99 ASP ASP v . n +AJ 16 100 ILE 100 100 100 ILE ILE v . n +AJ 16 101 PHE 101 101 101 PHE PHE v . n +AJ 16 102 PRO 102 102 102 PRO PRO v . n +AJ 16 103 LYS 103 103 103 LYS LYS v . n +AJ 16 104 MET 104 104 104 MET MET v . n +AJ 16 105 ARG 105 105 105 ARG ARG v . n +AJ 16 106 ASN 106 106 106 ASN ASN v . n +AJ 16 107 LEU 107 107 107 LEU LEU v . n +AJ 16 108 THR 108 108 108 THR THR v . n +AJ 16 109 GLU 109 109 109 GLU GLU v . n +AJ 16 110 LYS 110 110 110 LYS LYS v . n +AJ 16 111 ASP 111 111 111 ASP ASP v . n +AJ 16 112 LEU 112 112 112 LEU LEU v . n +AJ 16 113 VAL 113 113 113 VAL VAL v . n +AJ 16 114 ALA 114 114 114 ALA ALA v . n +AJ 16 115 ILE 115 115 115 ILE ILE v . n +AJ 16 116 ALA 116 116 116 ALA ALA v . n +AJ 16 117 GLY 117 117 117 GLY GLY v . n +AJ 16 118 HIS 118 118 118 HIS HIS v . n +AJ 16 119 ILE 119 119 119 ILE ILE v . n +AJ 16 120 LEU 120 120 120 LEU LEU v . n +AJ 16 121 VAL 121 121 121 VAL VAL v . n +AJ 16 122 GLU 122 122 122 GLU GLU v . n +AJ 16 123 PRO 123 123 123 PRO PRO v . n +AJ 16 124 LYS 124 124 124 LYS LYS v . n +AJ 16 125 ILE 125 125 125 ILE ILE v . n +AJ 16 126 LEU 126 126 126 LEU LEU v . n +AJ 16 127 GLY 127 127 127 GLY GLY v . n +AJ 16 128 ASP 128 128 128 ASP ASP v . n +AJ 16 129 LYS 129 129 129 LYS LYS v . n +AJ 16 130 TRP 130 130 130 TRP TRP v . n +AJ 16 131 GLY 131 131 131 GLY GLY v . n +AJ 16 132 GLY 132 132 132 GLY GLY v . n +AJ 16 133 GLY 133 133 133 GLY GLY v . n +AJ 16 134 LYS 134 134 134 LYS LYS v . n +AJ 16 135 VAL 135 135 135 VAL VAL v . n +AJ 16 136 TYR 136 136 136 TYR TYR v . n +AJ 16 137 TYR 137 137 137 TYR TYR v . n +AK 17 1 THR 1 2 2 THR THR x . n +AK 17 2 ILE 2 3 3 ILE ILE x . n +AK 17 3 THR 3 4 4 THR THR x . n +AK 17 4 PRO 4 5 5 PRO PRO x . n +AK 17 5 SER 5 6 6 SER SER x . n +AK 17 6 LEU 6 7 7 LEU LEU x . n +AK 17 7 LYS 7 8 8 LYS LYS x . n +AK 17 8 GLY 8 9 9 GLY GLY x . n +AK 17 9 PHE 9 10 10 PHE PHE x . n +AK 17 10 PHE 10 11 11 PHE PHE x . n +AK 17 11 ILE 11 12 12 ILE ILE x . n +AK 17 12 GLY 12 13 13 GLY GLY x . n +AK 17 13 LEU 13 14 14 LEU LEU x . n +AK 17 14 LEU 14 15 15 LEU LEU x . n +AK 17 15 SER 15 16 16 SER SER x . n +AK 17 16 GLY 16 17 17 GLY GLY x . n +AK 17 17 ALA 17 18 18 ALA ALA x . n +AK 17 18 VAL 18 19 19 VAL VAL x . n +AK 17 19 VAL 19 20 20 VAL VAL x . n +AK 17 20 LEU 20 21 21 LEU LEU x . n +AK 17 21 GLY 21 22 22 GLY GLY x . n +AK 17 22 LEU 22 23 23 LEU LEU x . n +AK 17 23 THR 23 24 24 THR THR x . n +AK 17 24 PHE 24 25 25 PHE PHE x . n +AK 17 25 ALA 25 26 26 ALA ALA x . n +AK 17 26 VAL 26 27 27 VAL VAL x . n +AK 17 27 LEU 27 28 28 LEU LEU x . n +AK 17 28 ILE 28 29 29 ILE ILE x . n +AK 17 29 ALA 29 30 30 ALA ALA x . n +AK 17 30 ILE 30 31 31 ILE ILE x . n +AK 17 31 SER 31 32 32 SER SER x . n +AK 17 32 GLN 32 33 33 GLN GLN x . n +AK 17 33 ILE 33 34 34 ILE ILE x . n +AK 17 34 ASP 34 35 35 ASP ASP x . n +AK 17 35 LYS 35 36 36 LYS LYS x . n +AK 17 36 VAL 36 37 37 VAL VAL x . n +AK 17 37 GLN 37 38 38 GLN GLN x . n +AK 17 38 ARG 38 39 39 ARG ARG x . n +AL 18 1 VAL 1 18 18 VAL VAL y . n +AL 18 2 ILE 2 19 19 ILE ILE y . n +AL 18 3 ALA 3 20 20 ALA ALA y . n +AL 18 4 GLN 4 21 21 GLN GLN y . n +AL 18 5 LEU 5 22 22 LEU LEU y . n +AL 18 6 THR 6 23 23 THR THR y . n +AL 18 7 MET 7 24 24 MET MET y . n +AL 18 8 ILE 8 25 25 ILE ILE y . n +AL 18 9 ALA 9 26 26 ALA ALA y . n +AL 18 10 MET 10 27 27 MET MET y . n +AL 18 11 ILE 11 28 28 ILE ILE y . n +AL 18 12 GLY 12 29 29 GLY GLY y . n +AL 18 13 ILE 13 30 30 ILE ILE y . n +AL 18 14 ALA 14 31 31 ALA ALA y . n +AL 18 15 GLY 15 32 32 GLY GLY y . n +AL 18 16 PRO 16 33 33 PRO PRO y . n +AL 18 17 MET 17 34 34 MET MET y . n +AL 18 18 ILE 18 35 35 ILE ILE y . n +AL 18 19 ILE 19 36 36 ILE ILE y . n +AL 18 20 PHE 20 37 37 PHE PHE y . n +AL 18 21 LEU 21 38 38 LEU LEU y . n +AL 18 22 LEU 22 39 39 LEU LEU y . n +AL 18 23 ALA 23 40 40 ALA ALA y . n +AL 18 24 VAL 24 41 41 VAL VAL y . n +AL 18 25 ARG 25 42 42 ARG ARG y . n +AL 18 26 ARG 26 43 43 ARG ARG y . n +AL 18 27 GLY 27 44 44 GLY GLY y . n +AL 18 28 ASN 28 45 45 ASN ASN y . n +AL 18 29 LEU 29 46 46 LEU LEU y . n +AM 26 1 MET 1 1 1 MET MET z . n +AM 26 2 THR 2 2 2 THR THR z . n +AM 26 3 ILE 3 3 3 ILE ILE z . n +AM 26 4 LEU 4 4 4 LEU LEU z . n +AM 26 5 PHE 5 5 5 PHE PHE z . n +AM 26 6 GLN 6 6 6 GLN GLN z . n +AM 26 7 LEU 7 7 7 LEU LEU z . n +AM 26 8 ALA 8 8 8 ALA ALA z . n +AM 26 9 LEU 9 9 9 LEU LEU z . n +AM 26 10 ALA 10 10 10 ALA ALA z . n +AM 26 11 ALA 11 11 11 ALA ALA z . n +AM 26 12 LEU 12 12 12 LEU LEU z . n +AM 26 13 VAL 13 13 13 VAL VAL z . n +AM 26 14 ILE 14 14 14 ILE ILE z . n +AM 26 15 LEU 15 15 15 LEU LEU z . n +AM 26 16 SER 16 16 16 SER SER z . n +AM 26 17 PHE 17 17 17 PHE PHE z . n +AM 26 18 VAL 18 18 18 VAL VAL z . n +AM 26 19 MET 19 19 19 MET MET z . n +AM 26 20 VAL 20 20 20 VAL VAL z . n +AM 26 21 ILE 21 21 21 ILE ILE z . n +AM 26 22 GLY 22 22 22 GLY GLY z . n +AM 26 23 VAL 23 23 23 VAL VAL z . n +AM 26 24 PRO 24 24 24 PRO PRO z . n +AM 26 25 VAL 25 25 25 VAL VAL z . n +AM 26 26 ALA 26 26 26 ALA ALA z . n +AM 26 27 TYR 27 27 27 TYR TYR z . n +AM 26 28 ALA 28 28 28 ALA ALA z . n +AM 26 29 SER 29 29 29 SER SER z . n +AM 26 30 PRO 30 30 30 PRO PRO z . n +AM 26 31 GLN 31 31 31 GLN GLN z . n +AM 26 32 ASP 32 32 32 ASP ASP z . n +AM 26 33 TRP 33 33 33 TRP TRP z . n +AM 26 34 ASP 34 34 34 ASP ASP z . n +AM 26 35 ARG 35 35 35 ARG ARG z . n +AM 26 36 SER 36 36 36 SER SER z . n +AM 26 37 LYS 37 37 37 LYS LYS z . n +AM 26 38 GLN 38 38 38 GLN GLN z . n +AM 26 39 LEU 39 39 39 LEU LEU z . n +AM 26 40 ILE 40 40 40 ILE ILE z . n +AM 26 41 PHE 41 41 41 PHE PHE z . n +AM 26 42 LEU 42 42 42 LEU LEU z . n +AM 26 43 GLY 43 43 43 GLY GLY z . n +AM 26 44 SER 44 44 44 SER SER z . n +AM 26 45 GLY 45 45 45 GLY GLY z . n +AM 26 46 LEU 46 46 46 LEU LEU z . n +AM 26 47 TRP 47 47 47 TRP TRP z . n +AM 26 48 ILE 48 48 48 ILE ILE z . n +AM 26 49 ALA 49 49 49 ALA ALA z . n +AM 26 50 LEU 50 50 50 LEU LEU z . n +AM 26 51 VAL 51 51 51 VAL VAL z . n +AM 26 52 LEU 52 52 52 LEU LEU z . n +AM 26 53 VAL 53 53 53 VAL VAL z . n +AM 26 54 VAL 54 54 54 VAL VAL z . n +AM 26 55 GLY 55 55 55 GLY GLY z . n +AM 26 56 VAL 56 56 56 VAL VAL z . n +AM 26 57 LEU 57 57 57 LEU LEU z . n +AM 26 58 ASN 58 58 58 ASN ASN z . n +AM 26 59 PHE 59 59 59 PHE PHE z . n +AM 26 60 PHE 60 60 60 PHE PHE z . n +AM 26 61 VAL 61 61 61 VAL VAL z . n +AM 26 62 VAL 62 62 62 VAL VAL z . n +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 ALA n +1 2 ASN n +1 3 LEU n +1 4 TRP n +1 5 GLU n +1 6 ARG n +1 7 PHE n +1 8 CYS n +1 9 ASN n +1 10 TRP n +1 11 VAL n +1 12 THR n +1 13 SER n +1 14 THR n +1 15 ASP n +1 16 ASN n +1 17 ARG n +1 18 LEU n +1 19 TYR n +1 20 VAL n +1 21 GLY n +1 22 TRP n +1 23 PHE n +1 24 GLY n +1 25 VAL n +1 26 ILE n +1 27 MET n +1 28 ILE n +1 29 PRO n +1 30 THR n +1 31 LEU n +1 32 LEU n +1 33 ALA n +1 34 ALA n +1 35 THR n +1 36 ILE n +1 37 CYS n +1 38 PHE n +1 39 VAL n +1 40 ILE n +1 41 ALA n +1 42 PHE n +1 43 ILE n +1 44 ALA n +1 45 ALA n +1 46 PRO n +1 47 PRO n +1 48 VAL n +1 49 ASP n +1 50 ILE n +1 51 ASP n +1 52 GLY n +1 53 ILE n +1 54 ARG n +1 55 GLU n +1 56 PRO n +1 57 VAL n +1 58 SER n +1 59 GLY n +1 60 SER n +1 61 LEU n +1 62 LEU n +1 63 TYR n +1 64 GLY n +1 65 ASN n +1 66 ASN n +1 67 ILE n +1 68 ILE n +1 69 THR n +1 70 GLY n +1 71 ALA n +1 72 VAL n +1 73 VAL n +1 74 PRO n +1 75 SER n +1 76 SER n +1 77 ASN n +1 78 ALA n +1 79 ILE n +1 80 GLY n +1 81 LEU n +1 82 HIS n +1 83 PHE n +1 84 TYR n +1 85 PRO n +1 86 ILE n +1 87 TRP n +1 88 GLU n +1 89 ALA n +1 90 ALA n +1 91 SER n +1 92 LEU n +1 93 ASP n +1 94 GLU n +1 95 TRP n +1 96 LEU n +1 97 TYR n +1 98 ASN n +1 99 GLY n +1 100 GLY n +1 101 PRO n +1 102 TYR n +1 103 GLN n +1 104 LEU n +1 105 ILE n +1 106 ILE n +1 107 PHE n +1 108 HIS n +1 109 PHE n +1 110 LEU n +1 111 LEU n +1 112 GLY n +1 113 ALA n +1 114 SER n +1 115 CYS n +1 116 TYR n +1 117 MET n +1 118 GLY n +1 119 ARG n +1 120 GLN n +1 121 TRP n +1 122 GLU n +1 123 LEU n +1 124 SER n +1 125 TYR n +1 126 ARG n +1 127 LEU n +1 128 GLY n +1 129 MET n +1 130 ARG n +1 131 PRO n +1 132 TRP n +1 133 ILE n +1 134 CYS n +1 135 VAL n +1 136 ALA n +1 137 TYR n +1 138 SER n +1 139 ALA n +1 140 PRO n +1 141 LEU n +1 142 ALA n +1 143 SER n +1 144 ALA n +1 145 PHE n +1 146 ALA n +1 147 VAL n +1 148 PHE n +1 149 LEU n +1 150 ILE n +1 151 TYR n +1 152 PRO n +1 153 ILE n +1 154 GLY n +1 155 GLN n +1 156 GLY n +1 157 SER n +1 158 PHE n +1 159 SER n +1 160 ASP n +1 161 GLY n +1 162 MET n +1 163 PRO n +1 164 LEU n +1 165 GLY n +1 166 ILE n +1 167 SER n +1 168 GLY n +1 169 THR n +1 170 PHE n +1 171 ASN n +1 172 PHE n +1 173 MET n +1 174 ILE n +1 175 VAL n +1 176 PHE n +1 177 GLN n +1 178 ALA n +1 179 GLU n +1 180 HIS n +1 181 ASN n +1 182 ILE n +1 183 LEU n +1 184 MET n +1 185 HIS n +1 186 PRO n +1 187 PHE n +1 188 HIS n +1 189 GLN n +1 190 LEU n +1 191 GLY n +1 192 VAL n +1 193 ALA n +1 194 GLY n +1 195 VAL n +1 196 PHE n +1 197 GLY n +1 198 GLY n +1 199 ALA n +1 200 LEU n +1 201 PHE n +1 202 CYS n +1 203 ALA n +1 204 MET n +1 205 HIS n +1 206 GLY n +1 207 SER n +1 208 LEU n +1 209 VAL n +1 210 THR n +1 211 SER n +1 212 SER n +1 213 LEU n +1 214 ILE n +1 215 ARG n +1 216 GLU n +1 217 THR n +1 218 THR n +1 219 GLU n +1 220 THR n +1 221 GLU n +1 222 SER n +1 223 ALA n +1 224 ASN n +1 225 TYR n +1 226 GLY n +1 227 TYR n +1 228 LYS n +1 229 PHE n +1 230 GLY n +1 231 GLN n +1 232 GLU n +1 233 GLU n +1 234 GLU n +1 235 THR n +1 236 TYR n +1 237 ASN n +1 238 ILE n +1 239 VAL n +1 240 ALA n +1 241 ALA n +1 242 HIS n +1 243 GLY n +1 244 TYR n +1 245 PHE n +1 246 GLY n +1 247 ARG n +1 248 LEU n +1 249 ILE n +1 250 PHE n +1 251 GLN n +1 252 TYR n +1 253 ALA n +1 254 SER n +1 255 PHE n +1 256 ASN n +1 257 ASN n +1 258 SER n +1 259 ARG n +1 260 SER n +1 261 LEU n +1 262 HIS n +1 263 PHE n +1 264 PHE n +1 265 LEU n +1 266 ALA n +1 267 ALA n +1 268 TRP n +1 269 PRO n +1 270 VAL n +1 271 VAL n +1 272 GLY n +1 273 VAL n +1 274 TRP n +1 275 PHE n +1 276 ALA n +1 277 ALA n +1 278 LEU n +1 279 GLY n +1 280 ILE n +1 281 SER n +1 282 THR n +1 283 MET n +1 284 ALA n +1 285 PHE n +1 286 ASN n +1 287 LEU n +1 288 ASN n +1 289 GLY n +1 290 PHE n +1 291 ASN n +1 292 PHE n +1 293 ASN n +1 294 HIS n +1 295 SER n +1 296 VAL n +1 297 ILE n +1 298 ASP n +1 299 ALA n +1 300 LYS n +1 301 GLY n +1 302 ASN n +1 303 VAL n +1 304 ILE n +1 305 ASN n +1 306 THR n +1 307 TRP n +1 308 ALA n +1 309 ASP n +1 310 ILE n +1 311 ILE n +1 312 ASN n +1 313 ARG n +1 314 ALA n +1 315 ASN n +1 316 LEU n +1 317 GLY n +1 318 MET n +1 319 GLU n +1 320 VAL n +1 321 MET n +1 322 HIS n +1 323 GLU n +1 324 ARG n +1 325 ASN n +1 326 ALA n +1 327 HIS n +1 328 ASN n +1 329 PHE n +1 330 PRO n +1 331 LEU n +1 332 ASP n +1 333 LEU n +1 334 ALA n +2 1 GLY n +2 2 LEU n +2 3 PRO n +2 4 TRP n +2 5 TYR n +2 6 ARG n +2 7 VAL n +2 8 HIS n +2 9 THR n +2 10 VAL n +2 11 LEU n +2 12 ILE n +2 13 ASN n +2 14 ASP n +2 15 PRO n +2 16 GLY n +2 17 ARG n +2 18 LEU n +2 19 ILE n +2 20 ALA n +2 21 ALA n +2 22 HIS n +2 23 LEU n +2 24 MET n +2 25 HIS n +2 26 THR n +2 27 ALA n +2 28 LEU n +2 29 VAL n +2 30 ALA n +2 31 GLY n +2 32 TRP n +2 33 ALA n +2 34 GLY n +2 35 SER n +2 36 MET n +2 37 ALA n +2 38 LEU n +2 39 TYR n +2 40 GLU n +2 41 LEU n +2 42 ALA n +2 43 THR n +2 44 PHE n +2 45 ASP n +2 46 PRO n +2 47 SER n +2 48 ASP n +2 49 PRO n +2 50 VAL n +2 51 LEU n +2 52 ASN n +2 53 PRO n +2 54 MET n +2 55 TRP n +2 56 ARG n +2 57 GLN n +2 58 GLY n +2 59 MET n +2 60 PHE n +2 61 VAL n +2 62 LEU n +2 63 PRO n +2 64 PHE n +2 65 MET n +2 66 ALA n +2 67 ARG n +2 68 LEU n +2 69 GLY n +2 70 VAL n +2 71 THR n +2 72 GLY n +2 73 SER n +2 74 TRP n +2 75 SER n +2 76 GLY n +2 77 TRP n +2 78 SER n +2 79 ILE n +2 80 THR n +2 81 GLY n +2 82 GLU n +2 83 THR n +2 84 GLY n +2 85 ILE n +2 86 ASP n +2 87 PRO n +2 88 GLY n +2 89 PHE n +2 90 TRP n +2 91 SER n +2 92 PHE n +2 93 GLU n +2 94 GLY n +2 95 VAL n +2 96 ALA n +2 97 LEU n +2 98 ALA n +2 99 HIS n +2 100 ILE n +2 101 VAL n +2 102 LEU n +2 103 SER n +2 104 GLY n +2 105 LEU n +2 106 LEU n +2 107 PHE n +2 108 LEU n +2 109 ALA n +2 110 ALA n +2 111 CYS n +2 112 TRP n +2 113 HIS n +2 114 TRP n +2 115 VAL n +2 116 TYR n +2 117 TRP n +2 118 ASP n +2 119 LEU n +2 120 GLU n +2 121 LEU n +2 122 PHE n +2 123 ARG n +2 124 ASP n +2 125 PRO n +2 126 ARG n +2 127 THR n +2 128 GLY n +2 129 GLU n +2 130 PRO n +2 131 ALA n +2 132 LEU n +2 133 ASP n +2 134 LEU n +2 135 PRO n +2 136 LYS n +2 137 MET n +2 138 PHE n +2 139 GLY n +2 140 ILE n +2 141 HIS n +2 142 LEU n +2 143 PHE n +2 144 LEU n +2 145 ALA n +2 146 GLY n +2 147 LEU n +2 148 LEU n +2 149 CYS n +2 150 PHE n +2 151 GLY n +2 152 PHE n +2 153 GLY n +2 154 ALA n +2 155 PHE n +2 156 HIS n +2 157 LEU n +2 158 THR n +2 159 GLY n +2 160 LEU n +2 161 PHE n +2 162 GLY n +2 163 PRO n +2 164 GLY n +2 165 MET n +2 166 TRP n +2 167 VAL n +2 168 SER n +2 169 ASP n +2 170 PRO n +2 171 TYR n +2 172 GLY n +2 173 LEU n +2 174 THR n +2 175 GLY n +2 176 SER n +2 177 VAL n +2 178 GLN n +2 179 PRO n +2 180 VAL n +2 181 ALA n +2 182 PRO n +2 183 GLU n +2 184 TRP n +2 185 GLY n +2 186 PRO n +2 187 ASP n +2 188 GLY n +2 189 PHE n +2 190 ASN n +2 191 PRO n +2 192 TYR n +2 193 ASN n +2 194 PRO n +2 195 GLY n +2 196 GLY n +2 197 VAL n +2 198 VAL n +2 199 ALA n +2 200 HIS n +2 201 HIS n +2 202 ILE n +2 203 ALA n +2 204 ALA n +2 205 GLY n +2 206 ILE n +2 207 VAL n +2 208 GLY n +2 209 ILE n +2 210 ILE n +2 211 ALA n +2 212 GLY n +2 213 LEU n +2 214 PHE n +2 215 HIS n +2 216 ILE n +2 217 LEU n +2 218 VAL n +2 219 ARG n +2 220 PRO n +2 221 PRO n +2 222 GLN n +2 223 ARG n +2 224 LEU n +2 225 TYR n +2 226 LYS n +2 227 ALA n +2 228 LEU n +2 229 ARG n +2 230 MET n +2 231 GLY n +2 232 ASN n +2 233 ILE n +2 234 GLU n +2 235 THR n +2 236 VAL n +2 237 LEU n +2 238 SER n +2 239 SER n +2 240 SER n +2 241 ILE n +2 242 ALA n +2 243 ALA n +2 244 VAL n +2 245 PHE n +2 246 PHE n +2 247 ALA n +2 248 ALA n +2 249 PHE n +2 250 VAL n +2 251 VAL n +2 252 ALA n +2 253 GLY n +2 254 THR n +2 255 MET n +2 256 TRP n +2 257 TYR n +2 258 GLY n +2 259 SER n +2 260 ALA n +2 261 THR n +2 262 THR n +2 263 PRO n +2 264 ILE n +2 265 GLU n +2 266 LEU n +2 267 PHE n +2 268 GLY n +2 269 PRO n +2 270 THR n +2 271 ARG n +2 272 TYR n +2 273 GLN n +2 274 TRP n +2 275 ASP n +2 276 SER n +2 277 SER n +2 278 TYR n +2 279 PHE n +2 280 GLN n +2 281 GLN n +2 282 GLU n +2 283 ILE n +2 284 ASN n +2 285 ARG n +2 286 ARG n +2 287 VAL n +2 288 GLN n +2 289 ALA n +2 290 SER n +2 291 LEU n +2 292 ALA n +2 293 SER n +2 294 GLY n +2 295 ALA n +2 296 THR n +2 297 LEU n +2 298 GLU n +2 299 GLU n +2 300 ALA n +2 301 TRP n +2 302 SER n +2 303 ALA n +2 304 ILE n +2 305 PRO n +2 306 GLU n +2 307 LYS n +2 308 LEU n +2 309 ALA n +2 310 PHE n +2 311 TYR n +2 312 ASP n +2 313 TYR n +2 314 ILE n +2 315 GLY n +2 316 ASN n +2 317 ASN n +2 318 PRO n +2 319 ALA n +2 320 LYS n +2 321 GLY n +2 322 GLY n +2 323 LEU n +2 324 PHE n +2 325 ARG n +2 326 THR n +2 327 GLY n +2 328 PRO n +2 329 MET n +2 330 ASN n +2 331 LYS n +2 332 GLY n +2 333 ASP n +2 334 GLY n +2 335 ILE n +2 336 ALA n +2 337 GLN n +2 338 ALA n +2 339 TRP n +2 340 LYS n +2 341 GLY n +2 342 HIS n +2 343 ALA n +2 344 VAL n +2 345 PHE n +2 346 ARG n +2 347 ASN n +2 348 LYS n +2 349 GLU n +2 350 GLY n +2 351 GLU n +2 352 GLU n +2 353 LEU n +2 354 PHE n +2 355 VAL n +2 356 ARG n +2 357 ARG n +2 358 MET n +2 359 PRO n +2 360 ALA n +2 361 PHE n +2 362 PHE n +2 363 GLU n +2 364 SER n +2 365 PHE n +2 366 PRO n +2 367 VAL n +2 368 ILE n +2 369 LEU n +2 370 THR n +2 371 ASP n +2 372 LYS n +2 373 ASN n +2 374 GLY n +2 375 VAL n +2 376 VAL n +2 377 LYS n +2 378 ALA n +2 379 ASP n +2 380 ILE n +2 381 PRO n +2 382 PHE n +2 383 ARG n +2 384 ARG n +2 385 ALA n +2 386 GLU n +2 387 SER n +2 388 LYS n +2 389 TYR n +2 390 SER n +2 391 PHE n +2 392 GLU n +2 393 GLN n +2 394 GLN n +2 395 GLY n +2 396 VAL n +2 397 THR n +2 398 VAL n +2 399 SER n +2 400 PHE n +2 401 TYR n +2 402 GLY n +2 403 GLY n +2 404 GLU n +2 405 LEU n +2 406 ASN n +2 407 GLY n +2 408 GLN n +2 409 THR n +2 410 PHE n +2 411 THR n +2 412 ASP n +2 413 PRO n +2 414 PRO n +2 415 THR n +2 416 VAL n +2 417 LYS n +2 418 SER n +2 419 TYR n +2 420 ALA n +2 421 ARG n +2 422 LYS n +2 423 ALA n +2 424 ILE n +2 425 PHE n +2 426 GLY n +2 427 GLU n +2 428 ILE n +2 429 PHE n +2 430 GLU n +2 431 PHE n +2 432 ASP n +2 433 THR n +2 434 GLU n +2 435 THR n +2 436 LEU n +2 437 ASN n +2 438 SER n +2 439 ASP n +2 440 GLY n +2 441 ILE n +2 442 PHE n +2 443 ARG n +2 444 THR n +2 445 SER n +2 446 PRO n +2 447 ARG n +2 448 GLY n +2 449 TRP n +2 450 PHE n +2 451 THR n +2 452 PHE n +2 453 ALA n +2 454 HIS n +2 455 ALA n +2 456 VAL n +2 457 PHE n +2 458 ALA n +2 459 LEU n +2 460 LEU n +2 461 PHE n +2 462 PHE n +2 463 PHE n +2 464 GLY n +2 465 HIS n +2 466 ILE n +2 467 TRP n +2 468 HIS n +2 469 GLY n +2 470 ALA n +2 471 ARG n +2 472 THR n +2 473 LEU n +2 474 PHE n +2 475 ARG n +2 476 ASP n +2 477 VAL n +2 478 PHE n +2 479 SER n +2 480 GLY n +2 481 ILE n +2 482 ASP n +2 483 PRO n +2 484 GLU n +2 485 LEU n +2 486 SER n +2 487 PRO n +2 488 GLU n +2 489 GLN n +2 490 VAL n +2 491 GLU n +2 492 TRP n +2 493 GLY n +2 494 PHE n +2 495 TYR n +2 496 GLN n +2 497 LYS n +2 498 VAL n +2 499 GLY n +2 500 ASP n +2 501 VAL n +2 502 THR n +2 503 THR n +2 504 ARG n +3 1 ALA n +3 2 THR n +3 3 ASN n +3 4 ARG n +3 5 ASP n +3 6 GLN n +3 7 GLU n +3 8 SER n +3 9 SER n +3 10 GLY n +3 11 PHE n +3 12 ALA n +3 13 TRP n +3 14 TRP n +3 15 ALA n +3 16 GLY n +3 17 ASN n +3 18 ALA n +3 19 ARG n +3 20 LEU n +3 21 ILE n +3 22 ASN n +3 23 LEU n +3 24 SER n +3 25 GLY n +3 26 LYS n +3 27 LEU n +3 28 LEU n +3 29 GLY n +3 30 ALA n +3 31 HIS n +3 32 VAL n +3 33 ALA n +3 34 HIS n +3 35 ALA n +3 36 GLY n +3 37 LEU n +3 38 ILE n +3 39 VAL n +3 40 PHE n +3 41 TRP n +3 42 ALA n +3 43 GLY n +3 44 ALA n +3 45 MET n +3 46 THR n +3 47 LEU n +3 48 PHE n +3 49 GLU n +3 50 LEU n +3 51 ALA n +3 52 HIS n +3 53 PHE n +3 54 ILE n +3 55 PRO n +3 56 GLU n +3 57 LYS n +3 58 PRO n +3 59 MET n +3 60 TYR n +3 61 GLU n +3 62 GLN n +3 63 GLY n +3 64 LEU n +3 65 ILE n +3 66 LEU n +3 67 ILE n +3 68 PRO n +3 69 HIS n +3 70 ILE n +3 71 ALA n +3 72 THR n +3 73 LEU n +3 74 GLY n +3 75 TRP n +3 76 GLY n +3 77 VAL n +3 78 GLY n +3 79 PRO n +3 80 GLY n +3 81 GLY n +3 82 GLU n +3 83 VAL n +3 84 VAL n +3 85 ASP n +3 86 THR n +3 87 PHE n +3 88 PRO n +3 89 PHE n +3 90 PHE n +3 91 VAL n +3 92 VAL n +3 93 GLY n +3 94 VAL n +3 95 VAL n +3 96 HIS n +3 97 LEU n +3 98 ILE n +3 99 SER n +3 100 SER n +3 101 ALA n +3 102 VAL n +3 103 LEU n +3 104 GLY n +3 105 PHE n +3 106 GLY n +3 107 GLY n +3 108 VAL n +3 109 TYR n +3 110 HIS n +3 111 ALA n +3 112 ILE n +3 113 ARG n +3 114 GLY n +3 115 PRO n +3 116 GLU n +3 117 THR n +3 118 LEU n +3 119 GLU n +3 120 GLU n +3 121 TYR n +3 122 SER n +3 123 SER n +3 124 PHE n +3 125 PHE n +3 126 GLY n +3 127 TYR n +3 128 ASP n +3 129 TRP n +3 130 LYS n +3 131 ASP n +3 132 LYS n +3 133 ASN n +3 134 LYS n +3 135 MET n +3 136 THR n +3 137 THR n +3 138 ILE n +3 139 LEU n +3 140 GLY n +3 141 PHE n +3 142 HIS n +3 143 LEU n +3 144 ILE n +3 145 VAL n +3 146 LEU n +3 147 GLY n +3 148 ILE n +3 149 GLY n +3 150 ALA n +3 151 LEU n +3 152 LEU n +3 153 LEU n +3 154 VAL n +3 155 ALA n +3 156 LYS n +3 157 ALA n +3 158 MET n +3 159 PHE n +3 160 PHE n +3 161 GLY n +3 162 GLY n +3 163 LEU n +3 164 TYR n +3 165 ASP n +3 166 THR n +3 167 TRP n +3 168 ALA n +3 169 PRO n +3 170 GLY n +3 171 GLY n +3 172 GLY n +3 173 ASP n +3 174 VAL n +3 175 ARG n +3 176 VAL n +3 177 ILE n +3 178 THR n +3 179 ASN n +3 180 PRO n +3 181 THR n +3 182 LEU n +3 183 ASP n +3 184 PRO n +3 185 ARG n +3 186 VAL n +3 187 ILE n +3 188 PHE n +3 189 GLY n +3 190 TYR n +3 191 LEU n +3 192 LEU n +3 193 LYS n +3 194 SER n +3 195 PRO n +3 196 PHE n +3 197 GLY n +3 198 GLY n +3 199 GLU n +3 200 GLY n +3 201 TRP n +3 202 ILE n +3 203 VAL n +3 204 SER n +3 205 VAL n +3 206 ASN n +3 207 ASN n +3 208 LEU n +3 209 GLU n +3 210 ASP n +3 211 VAL n +3 212 VAL n +3 213 GLY n +3 214 GLY n +3 215 HIS n +3 216 ILE n +3 217 TRP n +3 218 ILE n +3 219 GLY n +3 220 LEU n +3 221 ILE n +3 222 CYS n +3 223 ILE n +3 224 ALA n +3 225 GLY n +3 226 GLY n +3 227 ILE n +3 228 TRP n +3 229 HIS n +3 230 ILE n +3 231 LEU n +3 232 THR n +3 233 THR n +3 234 PRO n +3 235 PHE n +3 236 GLY n +3 237 TRP n +3 238 ALA n +3 239 ARG n +3 240 ARG n +3 241 ALA n +3 242 PHE n +3 243 ILE n +3 244 TRP n +3 245 SER n +3 246 GLY n +3 247 GLU n +3 248 ALA n +3 249 TYR n +3 250 LEU n +3 251 SER n +3 252 TYR n +3 253 SER n +3 254 LEU n +3 255 GLY n +3 256 ALA n +3 257 LEU n +3 258 SER n +3 259 MET n +3 260 MET n +3 261 GLY n +3 262 PHE n +3 263 ILE n +3 264 ALA n +3 265 THR n +3 266 CYS n +3 267 PHE n +3 268 VAL n +3 269 TRP n +3 270 PHE n +3 271 ASN n +3 272 ASN n +3 273 THR n +3 274 VAL n +3 275 TYR n +3 276 PRO n +3 277 SER n +3 278 GLU n +3 279 PHE n +3 280 TYR n +3 281 GLY n +3 282 PRO n +3 283 THR n +3 284 GLY n +3 285 PRO n +3 286 GLU n +3 287 ALA n +3 288 SER n +3 289 GLN n +3 290 ALA n +3 291 GLN n +3 292 ALA n +3 293 MET n +3 294 THR n +3 295 PHE n +3 296 LEU n +3 297 ILE n +3 298 ARG n +3 299 ASP n +3 300 GLN n +3 301 LYS n +3 302 LEU n +3 303 GLY n +3 304 ALA n +3 305 ASN n +3 306 VAL n +3 307 GLY n +3 308 SER n +3 309 ALA n +3 310 GLN n +3 311 GLY n +3 312 PRO n +3 313 THR n +3 314 GLY n +3 315 LEU n +3 316 GLY n +3 317 LYS n +3 318 TYR n +3 319 LEU n +3 320 MET n +3 321 ARG n +3 322 SER n +3 323 PRO n +3 324 THR n +3 325 GLY n +3 326 GLU n +3 327 ILE n +3 328 ILE n +3 329 PHE n +3 330 GLY n +3 331 GLY n +3 332 GLU n +3 333 THR n +3 334 MET n +3 335 ARG n +3 336 PHE n +3 337 TRP n +3 338 ASP n +3 339 PHE n +3 340 ARG n +3 341 GLY n +3 342 PRO n +3 343 TRP n +3 344 LEU n +3 345 GLU n +3 346 PRO n +3 347 LEU n +3 348 ARG n +3 349 GLY n +3 350 PRO n +3 351 ASN n +3 352 GLY n +3 353 LEU n +3 354 ASP n +3 355 LEU n +3 356 ASN n +3 357 LYS n +3 358 ILE n +3 359 LYS n +3 360 ASN n +3 361 ASP n +3 362 ILE n +3 363 GLN n +3 364 PRO n +3 365 TRP n +3 366 GLN n +3 367 GLU n +3 368 ARG n +3 369 ARG n +3 370 ALA n +3 371 ALA n +3 372 GLU n +3 373 TYR n +3 374 MET n +3 375 THR n +3 376 HIS n +3 377 ALA n +3 378 PRO n +3 379 LEU n +3 380 GLY n +3 381 SER n +3 382 LEU n +3 383 ASN n +3 384 SER n +3 385 VAL n +3 386 GLY n +3 387 GLY n +3 388 VAL n +3 389 ALA n +3 390 THR n +3 391 GLU n +3 392 ILE n +3 393 ASN n +3 394 SER n +3 395 VAL n +3 396 ASN n +3 397 PHE n +3 398 VAL n +3 399 SER n +3 400 PRO n +3 401 ARG n +3 402 SER n +3 403 TRP n +3 404 LEU n +3 405 ALA n +3 406 THR n +3 407 SER n +3 408 HIS n +3 409 PHE n +3 410 VAL n +3 411 LEU n +3 412 ALA n +3 413 PHE n +3 414 PHE n +3 415 PHE n +3 416 LEU n +3 417 VAL n +3 418 GLY n +3 419 HIS n +3 420 LEU n +3 421 TRP n +3 422 HIS n +3 423 ALA n +3 424 GLY n +3 425 ARG n +3 426 ALA n +3 427 ARG n +3 428 ALA n +3 429 ALA n +3 430 ALA n +3 431 ALA n +3 432 GLY n +3 433 PHE n +3 434 GLU n +3 435 LYS n +3 436 GLY n +3 437 ILE n +3 438 ASP n +3 439 ARG n +3 440 GLU n +3 441 SER n +3 442 GLU n +3 443 PRO n +3 444 VAL n +3 445 LEU n +3 446 SER n +3 447 MET n +3 448 PRO n +3 449 SER n +3 450 LEU n +3 451 ASP n +4 1 GLU n +4 2 ARG n +4 3 GLY n +4 4 TRP n +4 5 PHE n +4 6 ASP n +4 7 ILE n +4 8 LEU n +4 9 ASP n +4 10 ASP n +4 11 TRP n +4 12 LEU n +4 13 LYS n +4 14 ARG n +4 15 ASP n +4 16 ARG n +4 17 PHE n +4 18 VAL n +4 19 PHE n +4 20 VAL n +4 21 GLY n +4 22 TRP n +4 23 SER n +4 24 GLY n +4 25 ILE n +4 26 LEU n +4 27 LEU n +4 28 PHE n +4 29 PRO n +4 30 CYS n +4 31 ALA n +4 32 TYR n +4 33 LEU n +4 34 ALA n +4 35 LEU n +4 36 GLY n +4 37 GLY n +4 38 TRP n +4 39 LEU n +4 40 THR n +4 41 GLY n +4 42 THR n +4 43 THR n +4 44 PHE n +4 45 VAL n +4 46 THR n +4 47 SER n +4 48 TRP n +4 49 TYR n +4 50 THR n +4 51 HIS n +4 52 GLY n +4 53 LEU n +4 54 ALA n +4 55 SER n +4 56 SER n +4 57 TYR n +4 58 LEU n +4 59 GLU n +4 60 GLY n +4 61 CYS n +4 62 ASN n +4 63 PHE n +4 64 LEU n +4 65 THR n +4 66 VAL n +4 67 ALA n +4 68 VAL n +4 69 SER n +4 70 THR n +4 71 PRO n +4 72 ALA n +4 73 ASN n +4 74 SER n +4 75 MET n +4 76 GLY n +4 77 HIS n +4 78 SER n +4 79 LEU n +4 80 LEU n +4 81 LEU n +4 82 LEU n +4 83 TRP n +4 84 GLY n +4 85 PRO n +4 86 GLU n +4 87 ALA n +4 88 GLN n +4 89 GLY n +4 90 ASP n +4 91 PHE n +4 92 THR n +4 93 ARG n +4 94 TRP n +4 95 CYS n +4 96 GLN n +4 97 LEU n +4 98 GLY n +4 99 GLY n +4 100 LEU n +4 101 TRP n +4 102 THR n +4 103 PHE n +4 104 ILE n +4 105 ALA n +4 106 LEU n +4 107 HIS n +4 108 GLY n +4 109 ALA n +4 110 PHE n +4 111 GLY n +4 112 LEU n +4 113 ILE n +4 114 GLY n +4 115 PHE n +4 116 MET n +4 117 LEU n +4 118 ARG n +4 119 GLN n +4 120 PHE n +4 121 GLU n +4 122 ILE n +4 123 ALA n +4 124 ARG n +4 125 LEU n +4 126 VAL n +4 127 GLY n +4 128 VAL n +4 129 ARG n +4 130 PRO n +4 131 TYR n +4 132 ASN n +4 133 ALA n +4 134 ILE n +4 135 ALA n +4 136 PHE n +4 137 SER n +4 138 ALA n +4 139 PRO n +4 140 ILE n +4 141 ALA n +4 142 VAL n +4 143 PHE n +4 144 VAL n +4 145 SER n +4 146 VAL n +4 147 PHE n +4 148 LEU n +4 149 ILE n +4 150 TYR n +4 151 PRO n +4 152 LEU n +4 153 GLY n +4 154 GLN n +4 155 SER n +4 156 SER n +4 157 TRP n +4 158 PHE n +4 159 PHE n +4 160 ALA n +4 161 PRO n +4 162 SER n +4 163 PHE n +4 164 GLY n +4 165 VAL n +4 166 ALA n +4 167 ALA n +4 168 ILE n +4 169 PHE n +4 170 ARG n +4 171 PHE n +4 172 LEU n +4 173 LEU n +4 174 PHE n +4 175 PHE n +4 176 GLN n +4 177 GLY n +4 178 PHE n +4 179 HIS n +4 180 ASN n +4 181 TRP n +4 182 THR n +4 183 LEU n +4 184 ASN n +4 185 PRO n +4 186 PHE n +4 187 HIS n +4 188 MET n +4 189 MET n +4 190 GLY n +4 191 VAL n +4 192 ALA n +4 193 GLY n +4 194 VAL n +4 195 LEU n +4 196 GLY n +4 197 GLY n +4 198 ALA n +4 199 LEU n +4 200 LEU n +4 201 CYS n +4 202 ALA n +4 203 ILE n +4 204 HIS n +4 205 GLY n +4 206 ALA n +4 207 THR n +4 208 VAL n +4 209 GLU n +4 210 ASN n +4 211 THR n +4 212 LEU n +4 213 PHE n +4 214 GLN n +4 215 ASP n +4 216 GLY n +4 217 GLU n +4 218 GLY n +4 219 ALA n +4 220 SER n +4 221 THR n +4 222 PHE n +4 223 ARG n +4 224 ALA n +4 225 PHE n +4 226 ASN n +4 227 PRO n +4 228 THR n +4 229 GLN n +4 230 ALA n +4 231 GLU n +4 232 GLU n +4 233 THR n +4 234 TYR n +4 235 SER n +4 236 MET n +4 237 VAL n +4 238 THR n +4 239 ALA n +4 240 ASN n +4 241 ARG n +4 242 PHE n +4 243 TRP n +4 244 SER n +4 245 GLN n +4 246 ILE n +4 247 PHE n +4 248 GLY n +4 249 ILE n +4 250 ALA n +4 251 PHE n +4 252 SER n +4 253 ASN n +4 254 LYS n +4 255 ARG n +4 256 TRP n +4 257 LEU n +4 258 HIS n +4 259 PHE n +4 260 PHE n +4 261 MET n +4 262 LEU n +4 263 PHE n +4 264 VAL n +4 265 PRO n +4 266 VAL n +4 267 THR n +4 268 GLY n +4 269 LEU n +4 270 TRP n +4 271 MET n +4 272 SER n +4 273 ALA n +4 274 ILE n +4 275 GLY n +4 276 VAL n +4 277 VAL n +4 278 GLY n +4 279 LEU n +4 280 ALA n +4 281 LEU n +4 282 ASN n +4 283 LEU n +4 284 ARG n +4 285 SER n +4 286 TYR n +4 287 ASP n +4 288 PHE n +4 289 ILE n +4 290 SER n +4 291 GLN n +4 292 GLU n +4 293 ILE n +4 294 ARG n +4 295 ALA n +4 296 ALA n +4 297 GLU n +4 298 ASP n +4 299 PRO n +4 300 GLU n +4 301 PHE n +4 302 GLU n +4 303 THR n +4 304 PHE n +4 305 TYR n +4 306 THR n +4 307 LYS n +4 308 ASN n +4 309 LEU n +4 310 LEU n +4 311 LEU n +4 312 ASN n +4 313 GLU n +4 314 GLY n +4 315 ILE n +4 316 ARG n +4 317 ALA n +4 318 TRP n +4 319 MET n +4 320 ALA n +4 321 PRO n +4 322 GLN n +4 323 ASP n +4 324 GLN n +4 325 PRO n +4 326 HIS n +4 327 GLU n +4 328 ASN n +4 329 PHE n +4 330 VAL n +4 331 PHE n +4 332 PRO n +4 333 GLU n +4 334 GLU n +4 335 VAL n +4 336 LEU n +4 337 PRO n +4 338 ARG n +4 339 GLY n +4 340 ASN n +4 341 ALA n +4 342 LEU n +5 1 THR n +5 2 THR n +5 3 GLY n +5 4 GLU n +5 5 ARG n +5 6 PRO n +5 7 PHE n +5 8 SER n +5 9 ASP n +5 10 ILE n +5 11 ILE n +5 12 THR n +5 13 SER n +5 14 VAL n +5 15 ARG n +5 16 TYR n +5 17 TRP n +5 18 VAL n +5 19 ILE n +5 20 HIS n +5 21 SER n +5 22 ILE n +5 23 THR n +5 24 ILE n +5 25 PRO n +5 26 ALA n +5 27 LEU n +5 28 PHE n +5 29 ILE n +5 30 ALA n +5 31 GLY n +5 32 TRP n +5 33 LEU n +5 34 PHE n +5 35 VAL n +5 36 SER n +5 37 THR n +5 38 GLY n +5 39 LEU n +5 40 ALA n +5 41 TYR n +5 42 ASP n +5 43 VAL n +5 44 PHE n +5 45 GLY n +5 46 THR n +5 47 PRO n +5 48 ARG n +5 49 PRO n +5 50 ASP n +5 51 SER n +5 52 TYR n +5 53 TYR n +5 54 ALA n +5 55 GLN n +5 56 GLU n +5 57 GLN n +5 58 ARG n +5 59 SER n +5 60 ILE n +5 61 PRO n +5 62 LEU n +5 63 VAL n +5 64 THR n +5 65 ASP n +5 66 ARG n +5 67 PHE n +5 68 GLU n +5 69 ALA n +5 70 LYS n +5 71 GLN n +5 72 GLN n +5 73 VAL n +5 74 GLU n +5 75 THR n +5 76 PHE n +5 77 LEU n +5 78 GLU n +5 79 GLN n +5 80 LEU n +5 81 LYS n +6 1 SER n +6 2 TYR n +6 3 PRO n +6 4 ILE n +6 5 PHE n +6 6 THR n +6 7 VAL n +6 8 ARG n +6 9 TRP n +6 10 VAL n +6 11 ALA n +6 12 VAL n +6 13 HIS n +6 14 THR n +6 15 LEU n +6 16 ALA n +6 17 VAL n +6 18 PRO n +6 19 THR n +6 20 ILE n +6 21 PHE n +6 22 PHE n +6 23 LEU n +6 24 GLY n +6 25 ALA n +6 26 ILE n +6 27 ALA n +6 28 ALA n +6 29 MET n +6 30 GLN n +6 31 PHE n +6 32 ILE n +6 33 GLN n +6 34 ARG n +7 1 ALA n +7 2 ARG n +7 3 ARG n +7 4 THR n +7 5 TRP n +7 6 LEU n +7 7 GLY n +7 8 ASP n +7 9 ILE n +7 10 LEU n +7 11 ARG n +7 12 PRO n +7 13 LEU n +7 14 ASN n +7 15 SER n +7 16 GLU n +7 17 TYR n +7 18 GLY n +7 19 LYS n +7 20 VAL n +7 21 ALA n +7 22 PRO n +7 23 GLY n +7 24 TRP n +7 25 GLY n +7 26 THR n +7 27 THR n +7 28 PRO n +7 29 LEU n +7 30 MET n +7 31 ALA n +7 32 VAL n +7 33 PHE n +7 34 MET n +7 35 GLY n +7 36 LEU n +7 37 PHE n +7 38 LEU n +7 39 VAL n +7 40 PHE n +7 41 LEU n +7 42 LEU n +7 43 ILE n +7 44 ILE n +7 45 LEU n +7 46 GLU n +7 47 ILE n +7 48 TYR n +7 49 ASN n +7 50 SER n +7 51 THR n +7 52 LEU n +7 53 ILE n +7 54 LEU n +7 55 ASP n +7 56 GLY n +7 57 VAL n +7 58 ASN n +7 59 VAL n +7 60 SER n +7 61 TRP n +7 62 LYS n +7 63 ALA n +7 64 LEU n +8 1 FME n +8 2 GLU n +8 3 THR n +8 4 LEU n +8 5 LYS n +8 6 ILE n +8 7 THR n +8 8 VAL n +8 9 TYR n +8 10 ILE n +8 11 VAL n +8 12 VAL n +8 13 THR n +8 14 PHE n +8 15 PHE n +8 16 VAL n +8 17 LEU n +8 18 LEU n +8 19 PHE n +8 20 VAL n +8 21 PHE n +8 22 GLY n +8 23 PHE n +8 24 LEU n +8 25 SER n +8 26 GLY n +8 27 ASP n +8 28 PRO n +8 29 ALA n +8 30 ARG n +8 31 ASN n +8 32 PRO n +8 33 LYS n +8 34 ARG n +8 35 LYS n +8 36 ASP n +8 37 LEU n +8 38 GLU n +9 1 SER n +9 2 GLU n +9 3 GLY n +9 4 GLY n +9 5 ARG n +9 6 ILE n +9 7 PRO n +9 8 LEU n +9 9 TRP n +9 10 ILE n +9 11 VAL n +9 12 ALA n +9 13 THR n +9 14 VAL n +9 15 ALA n +9 16 GLY n +9 17 MET n +9 18 GLY n +9 19 VAL n +9 20 ILE n +9 21 VAL n +9 22 ILE n +9 23 VAL n +9 24 GLY n +9 25 LEU n +9 26 PHE n +9 27 PHE n +9 28 TYR n +9 29 GLY n +9 30 ALA n +9 31 TYR n +9 32 ALA n +9 33 GLY n +9 34 LEU n +9 35 GLY n +9 36 SER n +9 37 SER n +9 38 LEU n +10 1 LYS n +10 2 LEU n +10 3 PRO n +10 4 GLU n +10 5 ALA n +10 6 TYR n +10 7 ALA n +10 8 ILE n +10 9 PHE n +10 10 ASP n +10 11 PRO n +10 12 LEU n +10 13 VAL n +10 14 ASP n +10 15 VAL n +10 16 LEU n +10 17 PRO n +10 18 VAL n +10 19 ILE n +10 20 PRO n +10 21 VAL n +10 22 LEU n +10 23 PHE n +10 24 LEU n +10 25 ALA n +10 26 LEU n +10 27 ALA n +10 28 PHE n +10 29 VAL n +10 30 TRP n +10 31 GLN n +10 32 ALA n +10 33 ALA n +10 34 VAL n +10 35 GLY n +10 36 PHE n +10 37 ARG n +11 1 GLU n +11 2 PRO n +11 3 ASN n +11 4 PRO n +11 5 ASN n +11 6 ARG n +11 7 GLN n +11 8 PRO n +11 9 VAL n +11 10 GLU n +11 11 LEU n +11 12 ASN n +11 13 ARG n +11 14 THR n +11 15 SER n +11 16 LEU n +11 17 TYR n +11 18 LEU n +11 19 GLY n +11 20 LEU n +11 21 LEU n +11 22 LEU n +11 23 ILE n +11 24 LEU n +11 25 VAL n +11 26 LEU n +11 27 ALA n +11 28 LEU n +11 29 LEU n +11 30 PHE n +11 31 SER n +11 32 SER n +11 33 TYR n +11 34 PHE n +11 35 PHE n +11 36 ASN n +12 1 FME n +12 2 GLU n +12 3 VAL n +12 4 ASN n +12 5 GLN n +12 6 LEU n +12 7 GLY n +12 8 LEU n +12 9 ILE n +12 10 ALA n +12 11 THR n +12 12 ALA n +12 13 LEU n +12 14 PHE n +12 15 VAL n +12 16 LEU n +12 17 VAL n +12 18 PRO n +12 19 SER n +12 20 VAL n +12 21 PHE n +12 22 LEU n +12 23 ILE n +12 24 ILE n +12 25 LEU n +12 26 TYR n +12 27 VAL n +12 28 GLN n +12 29 THR n +12 30 GLU n +12 31 SER n +12 32 GLN n +12 33 GLN n +13 1 THR n +13 2 LEU n +13 3 THR n +13 4 TYR n +13 5 ASP n +13 6 ASP n +13 7 ILE n +13 8 VAL n +13 9 GLY n +13 10 THR n +13 11 GLY n +13 12 LEU n +13 13 ALA n +13 14 ASN n +13 15 LYS n +13 16 CYS n +13 17 PRO n +13 18 THR n +13 19 LEU n +13 20 ASP n +13 21 ASP n +13 22 THR n +13 23 ALA n +13 24 ARG n +13 25 GLY n +13 26 ALA n +13 27 TYR n +13 28 PRO n +13 29 ILE n +13 30 ASP n +13 31 SER n +13 32 SER n +13 33 GLN n +13 34 THR n +13 35 TYR n +13 36 ARG n +13 37 ILE n +13 38 ALA n +13 39 ARG n +13 40 LEU n +13 41 CYS n +13 42 LEU n +13 43 GLN n +13 44 PRO n +13 45 THR n +13 46 THR n +13 47 PHE n +13 48 LEU n +13 49 VAL n +13 50 LYS n +13 51 GLU n +13 52 GLU n +13 53 PRO n +13 54 LYS n +13 55 ASN n +13 56 LYS n +13 57 ARG n +13 58 GLN n +13 59 GLU n +13 60 ALA n +13 61 GLU n +13 62 PHE n +13 63 VAL n +13 64 PRO n +13 65 THR n +13 66 LYS n +13 67 LEU n +13 68 VAL n +13 69 THR n +13 70 ARG n +13 71 GLU n +13 72 THR n +13 73 THR n +13 74 SER n +13 75 LEU n +13 76 ASP n +13 77 GLN n +13 78 ILE n +13 79 GLN n +13 80 GLY n +13 81 GLU n +13 82 LEU n +13 83 LYS n +13 84 VAL n +13 85 ASN n +13 86 SER n +13 87 ASP n +13 88 GLY n +13 89 SER n +13 90 LEU n +13 91 THR n +13 92 PHE n +13 93 VAL n +13 94 GLU n +13 95 GLU n +13 96 ASP n +13 97 GLY n +13 98 ILE n +13 99 ASP n +13 100 PHE n +13 101 GLN n +13 102 PRO n +13 103 VAL n +13 104 THR n +13 105 VAL n +13 106 GLN n +13 107 MET n +13 108 ALA n +13 109 GLY n +13 110 GLY n +13 111 GLU n +13 112 ARG n +13 113 ILE n +13 114 PRO n +13 115 LEU n +13 116 LEU n +13 117 PHE n +13 118 THR n +13 119 VAL n +13 120 LYS n +13 121 ASN n +13 122 LEU n +13 123 VAL n +13 124 ALA n +13 125 SER n +13 126 THR n +13 127 GLN n +13 128 PRO n +13 129 ASN n +13 130 VAL n +13 131 THR n +13 132 SER n +13 133 ILE n +13 134 THR n +13 135 THR n +13 136 SER n +13 137 THR n +13 138 ASP n +13 139 PHE n +13 140 LYS n +13 141 GLY n +13 142 GLU n +13 143 PHE n +13 144 ASN n +13 145 VAL n +13 146 PRO n +13 147 SER n +13 148 TYR n +13 149 ARG n +13 150 THR n +13 151 ALA n +13 152 ASN n +13 153 PHE n +13 154 LEU n +13 155 ASP n +13 156 PRO n +13 157 LYS n +13 158 GLY n +13 159 ARG n +13 160 GLY n +13 161 LEU n +13 162 ALA n +13 163 SER n +13 164 GLY n +13 165 TYR n +13 166 ASP n +13 167 SER n +13 168 ALA n +13 169 ILE n +13 170 ALA n +13 171 LEU n +13 172 PRO n +13 173 GLN n +13 174 ALA n +13 175 LYS n +13 176 GLU n +13 177 GLU n +13 178 GLU n +13 179 LEU n +13 180 ALA n +13 181 ARG n +13 182 ALA n +13 183 ASN n +13 184 VAL n +13 185 LYS n +13 186 ARG n +13 187 PHE n +13 188 SER n +13 189 LEU n +13 190 THR n +13 191 LYS n +13 192 GLY n +13 193 GLN n +13 194 ILE n +13 195 SER n +13 196 LEU n +13 197 ASN n +13 198 VAL n +13 199 ALA n +13 200 LYS n +13 201 VAL n +13 202 ASP n +13 203 GLY n +13 204 ARG n +13 205 THR n +13 206 GLY n +13 207 GLU n +13 208 ILE n +13 209 ALA n +13 210 GLY n +13 211 THR n +13 212 PHE n +13 213 GLU n +13 214 SER n +13 215 GLU n +13 216 GLN n +13 217 LEU n +13 218 SER n +13 219 ASP n +13 220 ASP n +13 221 ASP n +13 222 MET n +13 223 GLY n +13 224 ALA n +13 225 HIS n +13 226 GLU n +13 227 PRO n +13 228 HIS n +13 229 GLU n +13 230 VAL n +13 231 LYS n +13 232 ILE n +13 233 GLN n +13 234 GLY n +13 235 VAL n +13 236 PHE n +13 237 TYR n +13 238 ALA n +13 239 SER n +13 240 ILE n +13 241 GLU n +13 242 PRO n +13 243 ALA n +14 1 FME n +14 2 GLU n +14 3 THR n +14 4 ILE n +14 5 THR n +14 6 TYR n +14 7 VAL n +14 8 PHE n +14 9 ILE n +14 10 PHE n +14 11 ALA n +14 12 CYS n +14 13 ILE n +14 14 ILE n +14 15 ALA n +14 16 LEU n +14 17 PHE n +14 18 PHE n +14 19 PHE n +14 20 ALA n +14 21 ILE n +14 22 PHE n +14 23 PHE n +14 24 ARG n +14 25 GLU n +14 26 PRO n +14 27 PRO n +14 28 ARG n +14 29 ILE n +14 30 THR n +15 1 LEU n +15 2 VAL n +15 3 ASN n +15 4 VAL n +15 5 VAL n +15 6 ASP n +15 7 GLU n +15 8 LYS n +15 9 LEU n +15 10 GLY n +15 11 THR n +15 12 ALA n +15 13 TYR n +15 14 GLY n +15 15 GLU n +15 16 LYS n +15 17 ILE n +15 18 ASP n +15 19 LEU n +15 20 ASN n +15 21 ASN n +15 22 THR n +15 23 ASN n +15 24 ILE n +15 25 ALA n +15 26 ALA n +15 27 PHE n +15 28 ILE n +15 29 GLN n +15 30 TYR n +15 31 ARG n +15 32 GLY n +15 33 LEU n +15 34 TYR n +15 35 PRO n +15 36 THR n +15 37 LEU n +15 38 ALA n +15 39 LYS n +15 40 LEU n +15 41 ILE n +15 42 VAL n +15 43 LYS n +15 44 ASN n +15 45 ALA n +15 46 PRO n +15 47 TYR n +15 48 GLU n +15 49 SER n +15 50 VAL n +15 51 GLU n +15 52 ASP n +15 53 VAL n +15 54 LEU n +15 55 ASN n +15 56 ILE n +15 57 PRO n +15 58 GLY n +15 59 LEU n +15 60 THR n +15 61 GLU n +15 62 ARG n +15 63 GLN n +15 64 LYS n +15 65 GLN n +15 66 ILE n +15 67 LEU n +15 68 ARG n +15 69 GLU n +15 70 ASN n +15 71 LEU n +15 72 GLU n +15 73 HIS n +15 74 PHE n +15 75 THR n +15 76 VAL n +15 77 THR n +15 78 GLU n +15 79 VAL n +15 80 GLU n +15 81 THR n +15 82 ALA n +15 83 LEU n +15 84 VAL n +15 85 GLU n +15 86 GLY n +15 87 GLY n +15 88 ASP n +15 89 ARG n +15 90 TYR n +15 91 ASN n +15 92 ASN n +15 93 GLY n +15 94 LEU n +15 95 TYR n +15 96 LYS n +16 1 ALA n +16 2 GLU n +16 3 LEU n +16 4 THR n +16 5 PRO n +16 6 GLU n +16 7 VAL n +16 8 LEU n +16 9 THR n +16 10 VAL n +16 11 PRO n +16 12 LEU n +16 13 ASN n +16 14 SER n +16 15 GLU n +16 16 GLY n +16 17 LYS n +16 18 THR n +16 19 ILE n +16 20 THR n +16 21 LEU n +16 22 THR n +16 23 GLU n +16 24 LYS n +16 25 GLN n +16 26 TYR n +16 27 LEU n +16 28 GLU n +16 29 GLY n +16 30 LYS n +16 31 ARG n +16 32 LEU n +16 33 PHE n +16 34 GLN n +16 35 TYR n +16 36 ALA n +16 37 CYS n +16 38 ALA n +16 39 SER n +16 40 CYS n +16 41 HIS n +16 42 VAL n +16 43 GLY n +16 44 GLY n +16 45 ILE n +16 46 THR n +16 47 LYS n +16 48 THR n +16 49 ASN n +16 50 PRO n +16 51 SER n +16 52 LEU n +16 53 ASP n +16 54 LEU n +16 55 ARG n +16 56 THR n +16 57 GLU n +16 58 THR n +16 59 LEU n +16 60 ALA n +16 61 LEU n +16 62 ALA n +16 63 THR n +16 64 PRO n +16 65 PRO n +16 66 ARG n +16 67 ASP n +16 68 ASN n +16 69 ILE n +16 70 GLU n +16 71 GLY n +16 72 LEU n +16 73 VAL n +16 74 ASP n +16 75 TYR n +16 76 MET n +16 77 LYS n +16 78 ASN n +16 79 PRO n +16 80 THR n +16 81 THR n +16 82 TYR n +16 83 ASP n +16 84 GLY n +16 85 GLU n +16 86 GLN n +16 87 GLU n +16 88 ILE n +16 89 ALA n +16 90 GLU n +16 91 VAL n +16 92 HIS n +16 93 PRO n +16 94 SER n +16 95 LEU n +16 96 ARG n +16 97 SER n +16 98 ALA n +16 99 ASP n +16 100 ILE n +16 101 PHE n +16 102 PRO n +16 103 LYS n +16 104 MET n +16 105 ARG n +16 106 ASN n +16 107 LEU n +16 108 THR n +16 109 GLU n +16 110 LYS n +16 111 ASP n +16 112 LEU n +16 113 VAL n +16 114 ALA n +16 115 ILE n +16 116 ALA n +16 117 GLY n +16 118 HIS n +16 119 ILE n +16 120 LEU n +16 121 VAL n +16 122 GLU n +16 123 PRO n +16 124 LYS n +16 125 ILE n +16 126 LEU n +16 127 GLY n +16 128 ASP n +16 129 LYS n +16 130 TRP n +16 131 GLY n +16 132 GLY n +16 133 GLY n +16 134 LYS n +16 135 VAL n +16 136 TYR n +16 137 TYR n +17 1 THR n +17 2 ILE n +17 3 THR n +17 4 PRO n +17 5 SER n +17 6 LEU n +17 7 LYS n +17 8 GLY n +17 9 PHE n +17 10 PHE n +17 11 ILE n +17 12 GLY n +17 13 LEU n +17 14 LEU n +17 15 SER n +17 16 GLY n +17 17 ALA n +17 18 VAL n +17 19 VAL n +17 20 LEU n +17 21 GLY n +17 22 LEU n +17 23 THR n +17 24 PHE n +17 25 ALA n +17 26 VAL n +17 27 LEU n +17 28 ILE n +17 29 ALA n +17 30 ILE n +17 31 SER n +17 32 GLN n +17 33 ILE n +17 34 ASP n +17 35 LYS n +17 36 VAL n +17 37 GLN n +17 38 ARG n +18 1 VAL n +18 2 ILE n +18 3 ALA n +18 4 GLN n +18 5 LEU n +18 6 THR n +18 7 MET n +18 8 ILE n +18 9 ALA n +18 10 MET n +18 11 ILE n +18 12 GLY n +18 13 ILE n +18 14 ALA n +18 15 GLY n +18 16 PRO n +18 17 MET n +18 18 ILE n +18 19 ILE n +18 20 PHE n +18 21 LEU n +18 22 LEU n +18 23 ALA n +18 24 VAL n +18 25 ARG n +18 26 ARG n +18 27 GLY n +18 28 ASN n +18 29 LEU n +19 1 ASN n +19 2 SER n +19 3 ILE n +19 4 PHE n +19 5 ALA n +19 6 THR n +19 7 ASN n +19 8 ARG n +19 9 ASP n +19 10 GLN n +19 11 GLU n +19 12 SER n +19 13 SER n +19 14 GLY n +19 15 PHE n +19 16 ALA n +19 17 TRP n +19 18 TRP n +19 19 ALA n +19 20 GLY n +19 21 ASN n +19 22 ALA n +19 23 ARG n +19 24 LEU n +19 25 ILE n +19 26 ASN n +19 27 LEU n +19 28 SER n +19 29 GLY n +19 30 LYS n +19 31 LEU n +19 32 LEU n +19 33 GLY n +19 34 ALA n +19 35 HIS n +19 36 VAL n +19 37 ALA n +19 38 HIS n +19 39 ALA n +19 40 GLY n +19 41 LEU n +19 42 ILE n +19 43 VAL n +19 44 PHE n +19 45 TRP n +19 46 ALA n +19 47 GLY n +19 48 ALA n +19 49 MET n +19 50 THR n +19 51 LEU n +19 52 PHE n +19 53 GLU n +19 54 LEU n +19 55 ALA n +19 56 HIS n +19 57 PHE n +19 58 ILE n +19 59 PRO n +19 60 GLU n +19 61 LYS n +19 62 PRO n +19 63 MET n +19 64 TYR n +19 65 GLU n +19 66 GLN n +19 67 GLY n +19 68 LEU n +19 69 ILE n +19 70 LEU n +19 71 ILE n +19 72 PRO n +19 73 HIS n +19 74 ILE n +19 75 ALA n +19 76 THR n +19 77 LEU n +19 78 GLY n +19 79 TRP n +19 80 GLY n +19 81 VAL n +19 82 GLY n +19 83 PRO n +19 84 GLY n +19 85 GLY n +19 86 GLU n +19 87 VAL n +19 88 VAL n +19 89 ASP n +19 90 THR n +19 91 PHE n +19 92 PRO n +19 93 PHE n +19 94 PHE n +19 95 VAL n +19 96 VAL n +19 97 GLY n +19 98 VAL n +19 99 VAL n +19 100 HIS n +19 101 LEU n +19 102 ILE n +19 103 SER n +19 104 SER n +19 105 ALA n +19 106 VAL n +19 107 LEU n +19 108 GLY n +19 109 PHE n +19 110 GLY n +19 111 GLY n +19 112 VAL n +19 113 TYR n +19 114 HIS n +19 115 ALA n +19 116 ILE n +19 117 ARG n +19 118 GLY n +19 119 PRO n +19 120 GLU n +19 121 THR n +19 122 LEU n +19 123 GLU n +19 124 GLU n +19 125 TYR n +19 126 SER n +19 127 SER n +19 128 PHE n +19 129 PHE n +19 130 GLY n +19 131 TYR n +19 132 ASP n +19 133 TRP n +19 134 LYS n +19 135 ASP n +19 136 LYS n +19 137 ASN n +19 138 LYS n +19 139 MET n +19 140 THR n +19 141 THR n +19 142 ILE n +19 143 LEU n +19 144 GLY n +19 145 PHE n +19 146 HIS n +19 147 LEU n +19 148 ILE n +19 149 VAL n +19 150 LEU n +19 151 GLY n +19 152 ILE n +19 153 GLY n +19 154 ALA n +19 155 LEU n +19 156 LEU n +19 157 LEU n +19 158 VAL n +19 159 ALA n +19 160 LYS n +19 161 ALA n +19 162 MET n +19 163 PHE n +19 164 PHE n +19 165 GLY n +19 166 GLY n +19 167 LEU n +19 168 TYR n +19 169 ASP n +19 170 THR n +19 171 TRP n +19 172 ALA n +19 173 PRO n +19 174 GLY n +19 175 GLY n +19 176 GLY n +19 177 ASP n +19 178 VAL n +19 179 ARG n +19 180 VAL n +19 181 ILE n +19 182 THR n +19 183 ASN n +19 184 PRO n +19 185 THR n +19 186 LEU n +19 187 ASP n +19 188 PRO n +19 189 ARG n +19 190 VAL n +19 191 ILE n +19 192 PHE n +19 193 GLY n +19 194 TYR n +19 195 LEU n +19 196 LEU n +19 197 LYS n +19 198 SER n +19 199 PRO n +19 200 PHE n +19 201 GLY n +19 202 GLY n +19 203 GLU n +19 204 GLY n +19 205 TRP n +19 206 ILE n +19 207 VAL n +19 208 SER n +19 209 VAL n +19 210 ASN n +19 211 ASN n +19 212 LEU n +19 213 GLU n +19 214 ASP n +19 215 VAL n +19 216 VAL n +19 217 GLY n +19 218 GLY n +19 219 HIS n +19 220 ILE n +19 221 TRP n +19 222 ILE n +19 223 GLY n +19 224 LEU n +19 225 ILE n +19 226 CYS n +19 227 ILE n +19 228 ALA n +19 229 GLY n +19 230 GLY n +19 231 ILE n +19 232 TRP n +19 233 HIS n +19 234 ILE n +19 235 LEU n +19 236 THR n +19 237 THR n +19 238 PRO n +19 239 PHE n +19 240 GLY n +19 241 TRP n +19 242 ALA n +19 243 ARG n +19 244 ARG n +19 245 ALA n +19 246 PHE n +19 247 ILE n +19 248 TRP n +19 249 SER n +19 250 GLY n +19 251 GLU n +19 252 ALA n +19 253 TYR n +19 254 LEU n +19 255 SER n +19 256 TYR n +19 257 SER n +19 258 LEU n +19 259 GLY n +19 260 ALA n +19 261 LEU n +19 262 SER n +19 263 MET n +19 264 MET n +19 265 GLY n +19 266 PHE n +19 267 ILE n +19 268 ALA n +19 269 THR n +19 270 CYS n +19 271 PHE n +19 272 VAL n +19 273 TRP n +19 274 PHE n +19 275 ASN n +19 276 ASN n +19 277 THR n +19 278 VAL n +19 279 TYR n +19 280 PRO n +19 281 SER n +19 282 GLU n +19 283 PHE n +19 284 TYR n +19 285 GLY n +19 286 PRO n +19 287 THR n +19 288 GLY n +19 289 PRO n +19 290 GLU n +19 291 ALA n +19 292 SER n +19 293 GLN n +19 294 ALA n +19 295 GLN n +19 296 ALA n +19 297 MET n +19 298 THR n +19 299 PHE n +19 300 LEU n +19 301 ILE n +19 302 ARG n +19 303 ASP n +19 304 GLN n +19 305 LYS n +19 306 LEU n +19 307 GLY n +19 308 ALA n +19 309 ASN n +19 310 VAL n +19 311 GLY n +19 312 SER n +19 313 ALA n +19 314 GLN n +19 315 GLY n +19 316 PRO n +19 317 THR n +19 318 GLY n +19 319 LEU n +19 320 GLY n +19 321 LYS n +19 322 TYR n +19 323 LEU n +19 324 MET n +19 325 ARG n +19 326 SER n +19 327 PRO n +19 328 THR n +19 329 GLY n +19 330 GLU n +19 331 ILE n +19 332 ILE n +19 333 PHE n +19 334 GLY n +19 335 GLY n +19 336 GLU n +19 337 THR n +19 338 MET n +19 339 ARG n +19 340 PHE n +19 341 TRP n +19 342 ASP n +19 343 PHE n +19 344 ARG n +19 345 GLY n +19 346 PRO n +19 347 TRP n +19 348 LEU n +19 349 GLU n +19 350 PRO n +19 351 LEU n +19 352 ARG n +19 353 GLY n +19 354 PRO n +19 355 ASN n +19 356 GLY n +19 357 LEU n +19 358 ASP n +19 359 LEU n +19 360 ASN n +19 361 LYS n +19 362 ILE n +19 363 LYS n +19 364 ASN n +19 365 ASP n +19 366 ILE n +19 367 GLN n +19 368 PRO n +19 369 TRP n +19 370 GLN n +19 371 GLU n +19 372 ARG n +19 373 ARG n +19 374 ALA n +19 375 ALA n +19 376 GLU n +19 377 TYR n +19 378 MET n +19 379 THR n +19 380 HIS n +19 381 ALA n +19 382 PRO n +19 383 LEU n +19 384 GLY n +19 385 SER n +19 386 LEU n +19 387 ASN n +19 388 SER n +19 389 VAL n +19 390 GLY n +19 391 GLY n +19 392 VAL n +19 393 ALA n +19 394 THR n +19 395 GLU n +19 396 ILE n +19 397 ASN n +19 398 SER n +19 399 VAL n +19 400 ASN n +19 401 PHE n +19 402 VAL n +19 403 SER n +19 404 PRO n +19 405 ARG n +19 406 SER n +19 407 TRP n +19 408 LEU n +19 409 ALA n +19 410 THR n +19 411 SER n +19 412 HIS n +19 413 PHE n +19 414 VAL n +19 415 LEU n +19 416 ALA n +19 417 PHE n +19 418 PHE n +19 419 PHE n +19 420 LEU n +19 421 VAL n +19 422 GLY n +19 423 HIS n +19 424 LEU n +19 425 TRP n +19 426 HIS n +19 427 ALA n +19 428 GLY n +19 429 ARG n +19 430 ALA n +19 431 ARG n +19 432 ALA n +19 433 ALA n +19 434 ALA n +19 435 ALA n +19 436 GLY n +19 437 PHE n +19 438 GLU n +19 439 LYS n +19 440 GLY n +19 441 ILE n +19 442 ASP n +19 443 ARG n +19 444 GLU n +19 445 SER n +19 446 GLU n +19 447 PRO n +19 448 VAL n +19 449 LEU n +19 450 SER n +19 451 MET n +19 452 PRO n +19 453 SER n +19 454 LEU n +19 455 ASP n +20 1 ARG n +20 2 GLY n +20 3 TRP n +20 4 PHE n +20 5 ASP n +20 6 ILE n +20 7 LEU n +20 8 ASP n +20 9 ASP n +20 10 TRP n +20 11 LEU n +20 12 LYS n +20 13 ARG n +20 14 ASP n +20 15 ARG n +20 16 PHE n +20 17 VAL n +20 18 PHE n +20 19 VAL n +20 20 GLY n +20 21 TRP n +20 22 SER n +20 23 GLY n +20 24 ILE n +20 25 LEU n +20 26 LEU n +20 27 PHE n +20 28 PRO n +20 29 CYS n +20 30 ALA n +20 31 TYR n +20 32 LEU n +20 33 ALA n +20 34 LEU n +20 35 GLY n +20 36 GLY n +20 37 TRP n +20 38 LEU n +20 39 THR n +20 40 GLY n +20 41 THR n +20 42 THR n +20 43 PHE n +20 44 VAL n +20 45 THR n +20 46 SER n +20 47 TRP n +20 48 TYR n +20 49 THR n +20 50 HIS n +20 51 GLY n +20 52 LEU n +20 53 ALA n +20 54 SER n +20 55 SER n +20 56 TYR n +20 57 LEU n +20 58 GLU n +20 59 GLY n +20 60 CYS n +20 61 ASN n +20 62 PHE n +20 63 LEU n +20 64 THR n +20 65 VAL n +20 66 ALA n +20 67 VAL n +20 68 SER n +20 69 THR n +20 70 PRO n +20 71 ALA n +20 72 ASN n +20 73 SER n +20 74 MET n +20 75 GLY n +20 76 HIS n +20 77 SER n +20 78 LEU n +20 79 LEU n +20 80 LEU n +20 81 LEU n +20 82 TRP n +20 83 GLY n +20 84 PRO n +20 85 GLU n +20 86 ALA n +20 87 GLN n +20 88 GLY n +20 89 ASP n +20 90 PHE n +20 91 THR n +20 92 ARG n +20 93 TRP n +20 94 CYS n +20 95 GLN n +20 96 LEU n +20 97 GLY n +20 98 GLY n +20 99 LEU n +20 100 TRP n +20 101 THR n +20 102 PHE n +20 103 ILE n +20 104 ALA n +20 105 LEU n +20 106 HIS n +20 107 GLY n +20 108 ALA n +20 109 PHE n +20 110 GLY n +20 111 LEU n +20 112 ILE n +20 113 GLY n +20 114 PHE n +20 115 MET n +20 116 LEU n +20 117 ARG n +20 118 GLN n +20 119 PHE n +20 120 GLU n +20 121 ILE n +20 122 ALA n +20 123 ARG n +20 124 LEU n +20 125 VAL n +20 126 GLY n +20 127 VAL n +20 128 ARG n +20 129 PRO n +20 130 TYR n +20 131 ASN n +20 132 ALA n +20 133 ILE n +20 134 ALA n +20 135 PHE n +20 136 SER n +20 137 ALA n +20 138 PRO n +20 139 ILE n +20 140 ALA n +20 141 VAL n +20 142 PHE n +20 143 VAL n +20 144 SER n +20 145 VAL n +20 146 PHE n +20 147 LEU n +20 148 ILE n +20 149 TYR n +20 150 PRO n +20 151 LEU n +20 152 GLY n +20 153 GLN n +20 154 SER n +20 155 SER n +20 156 TRP n +20 157 PHE n +20 158 PHE n +20 159 ALA n +20 160 PRO n +20 161 SER n +20 162 PHE n +20 163 GLY n +20 164 VAL n +20 165 ALA n +20 166 ALA n +20 167 ILE n +20 168 PHE n +20 169 ARG n +20 170 PHE n +20 171 LEU n +20 172 LEU n +20 173 PHE n +20 174 PHE n +20 175 GLN n +20 176 GLY n +20 177 PHE n +20 178 HIS n +20 179 ASN n +20 180 TRP n +20 181 THR n +20 182 LEU n +20 183 ASN n +20 184 PRO n +20 185 PHE n +20 186 HIS n +20 187 MET n +20 188 MET n +20 189 GLY n +20 190 VAL n +20 191 ALA n +20 192 GLY n +20 193 VAL n +20 194 LEU n +20 195 GLY n +20 196 GLY n +20 197 ALA n +20 198 LEU n +20 199 LEU n +20 200 CYS n +20 201 ALA n +20 202 ILE n +20 203 HIS n +20 204 GLY n +20 205 ALA n +20 206 THR n +20 207 VAL n +20 208 GLU n +20 209 ASN n +20 210 THR n +20 211 LEU n +20 212 PHE n +20 213 GLN n +20 214 ASP n +20 215 GLY n +20 216 GLU n +20 217 GLY n +20 218 ALA n +20 219 SER n +20 220 THR n +20 221 PHE n +20 222 ARG n +20 223 ALA n +20 224 PHE n +20 225 ASN n +20 226 PRO n +20 227 THR n +20 228 GLN n +20 229 ALA n +20 230 GLU n +20 231 GLU n +20 232 THR n +20 233 TYR n +20 234 SER n +20 235 MET n +20 236 VAL n +20 237 THR n +20 238 ALA n +20 239 ASN n +20 240 ARG n +20 241 PHE n +20 242 TRP n +20 243 SER n +20 244 GLN n +20 245 ILE n +20 246 PHE n +20 247 GLY n +20 248 ILE n +20 249 ALA n +20 250 PHE n +20 251 SER n +20 252 ASN n +20 253 LYS n +20 254 ARG n +20 255 TRP n +20 256 LEU n +20 257 HIS n +20 258 PHE n +20 259 PHE n +20 260 MET n +20 261 LEU n +20 262 PHE n +20 263 VAL n +20 264 PRO n +20 265 VAL n +20 266 THR n +20 267 GLY n +20 268 LEU n +20 269 TRP n +20 270 MET n +20 271 SER n +20 272 ALA n +20 273 ILE n +20 274 GLY n +20 275 VAL n +20 276 VAL n +20 277 GLY n +20 278 LEU n +20 279 ALA n +20 280 LEU n +20 281 ASN n +20 282 LEU n +20 283 ARG n +20 284 SER n +20 285 TYR n +20 286 ASP n +20 287 PHE n +20 288 ILE n +20 289 SER n +20 290 GLN n +20 291 GLU n +20 292 ILE n +20 293 ARG n +20 294 ALA n +20 295 ALA n +20 296 GLU n +20 297 ASP n +20 298 PRO n +20 299 GLU n +20 300 PHE n +20 301 GLU n +20 302 THR n +20 303 PHE n +20 304 TYR n +20 305 THR n +20 306 LYS n +20 307 ASN n +20 308 LEU n +20 309 LEU n +20 310 LEU n +20 311 ASN n +20 312 GLU n +20 313 GLY n +20 314 ILE n +20 315 ARG n +20 316 ALA n +20 317 TRP n +20 318 MET n +20 319 ALA n +20 320 PRO n +20 321 GLN n +20 322 ASP n +20 323 GLN n +20 324 PRO n +20 325 HIS n +20 326 GLU n +20 327 ASN n +20 328 PHE n +20 329 VAL n +20 330 PHE n +20 331 PRO n +20 332 GLU n +20 333 GLU n +20 334 VAL n +20 335 LEU n +20 336 PRO n +20 337 ARG n +20 338 GLY n +20 339 ASN n +20 340 ALA n +20 341 LEU n +21 1 GLY n +21 2 GLU n +21 3 ARG n +21 4 PRO n +21 5 PHE n +21 6 SER n +21 7 ASP n +21 8 ILE n +21 9 ILE n +21 10 THR n +21 11 SER n +21 12 VAL n +21 13 ARG n +21 14 TYR n +21 15 TRP n +21 16 VAL n +21 17 ILE n +21 18 HIS n +21 19 SER n +21 20 ILE n +21 21 THR n +21 22 ILE n +21 23 PRO n +21 24 ALA n +21 25 LEU n +21 26 PHE n +21 27 ILE n +21 28 ALA n +21 29 GLY n +21 30 TRP n +21 31 LEU n +21 32 PHE n +21 33 VAL n +21 34 SER n +21 35 THR n +21 36 GLY n +21 37 LEU n +21 38 ALA n +21 39 TYR n +21 40 ASP n +21 41 VAL n +21 42 PHE n +21 43 GLY n +21 44 THR n +21 45 PRO n +21 46 ARG n +21 47 PRO n +21 48 ASP n +21 49 SER n +21 50 TYR n +21 51 TYR n +21 52 ALA n +21 53 GLN n +21 54 GLU n +21 55 GLN n +21 56 ARG n +21 57 SER n +21 58 ILE n +21 59 PRO n +21 60 LEU n +21 61 VAL n +21 62 THR n +21 63 ASP n +21 64 ARG n +21 65 PHE n +21 66 GLU n +21 67 ALA n +21 68 LYS n +21 69 GLN n +21 70 GLN n +21 71 VAL n +21 72 GLU n +21 73 THR n +21 74 PHE n +21 75 LEU n +21 76 GLU n +21 77 GLN n +21 78 LEU n +21 79 LYS n +22 1 ILE n +22 2 PHE n +22 3 THR n +22 4 VAL n +22 5 ARG n +22 6 TRP n +22 7 VAL n +22 8 ALA n +22 9 VAL n +22 10 HIS n +22 11 THR n +22 12 LEU n +22 13 ALA n +22 14 VAL n +22 15 PRO n +22 16 THR n +22 17 ILE n +22 18 PHE n +22 19 PHE n +22 20 LEU n +22 21 GLY n +22 22 ALA n +22 23 ILE n +22 24 ALA n +22 25 ALA n +22 26 MET n +22 27 GLN n +22 28 PHE n +22 29 ILE n +22 30 GLN n +22 31 ARG n +23 1 MET n +23 2 SER n +23 3 GLU n +23 4 GLY n +23 5 GLY n +23 6 ARG n +23 7 ILE n +23 8 PRO n +23 9 LEU n +23 10 TRP n +23 11 ILE n +23 12 VAL n +23 13 ALA n +23 14 THR n +23 15 VAL n +23 16 ALA n +23 17 GLY n +23 18 MET n +23 19 GLY n +23 20 VAL n +23 21 ILE n +23 22 VAL n +23 23 ILE n +23 24 VAL n +23 25 GLY n +23 26 LEU n +23 27 PHE n +23 28 PHE n +23 29 TYR n +23 30 GLY n +23 31 ALA n +23 32 TYR n +23 33 ALA n +23 34 GLY n +23 35 LEU n +23 36 GLY n +23 37 SER n +23 38 SER n +23 39 LEU n +24 1 FME n +24 2 GLU n +24 3 VAL n +24 4 ASN n +24 5 GLN n +24 6 LEU n +24 7 GLY n +24 8 LEU n +24 9 ILE n +24 10 ALA n +24 11 THR n +24 12 ALA n +24 13 LEU n +24 14 PHE n +24 15 VAL n +24 16 LEU n +24 17 VAL n +24 18 PRO n +24 19 SER n +24 20 VAL n +24 21 PHE n +24 22 LEU n +24 23 ILE n +24 24 ILE n +24 25 LEU n +24 26 TYR n +24 27 VAL n +24 28 GLN n +24 29 THR n +24 30 GLU n +24 31 SER n +24 32 GLN n +24 33 GLN n +24 34 LYS n +25 1 GLU n +25 2 LEU n +25 3 VAL n +25 4 ASN n +25 5 VAL n +25 6 VAL n +25 7 ASP n +25 8 GLU n +25 9 LYS n +25 10 LEU n +25 11 GLY n +25 12 THR n +25 13 ALA n +25 14 TYR n +25 15 GLY n +25 16 GLU n +25 17 LYS n +25 18 ILE n +25 19 ASP n +25 20 LEU n +25 21 ASN n +25 22 ASN n +25 23 THR n +25 24 ASN n +25 25 ILE n +25 26 ALA n +25 27 ALA n +25 28 PHE n +25 29 ILE n +25 30 GLN n +25 31 TYR n +25 32 ARG n +25 33 GLY n +25 34 LEU n +25 35 TYR n +25 36 PRO n +25 37 THR n +25 38 LEU n +25 39 ALA n +25 40 LYS n +25 41 LEU n +25 42 ILE n +25 43 VAL n +25 44 LYS n +25 45 ASN n +25 46 ALA n +25 47 PRO n +25 48 TYR n +25 49 GLU n +25 50 SER n +25 51 VAL n +25 52 GLU n +25 53 ASP n +25 54 VAL n +25 55 LEU n +25 56 ASN n +25 57 ILE n +25 58 PRO n +25 59 GLY n +25 60 LEU n +25 61 THR n +25 62 GLU n +25 63 ARG n +25 64 GLN n +25 65 LYS n +25 66 GLN n +25 67 ILE n +25 68 LEU n +25 69 ARG n +25 70 GLU n +25 71 ASN n +25 72 LEU n +25 73 GLU n +25 74 HIS n +25 75 PHE n +25 76 THR n +25 77 VAL n +25 78 THR n +25 79 GLU n +25 80 VAL n +25 81 GLU n +25 82 THR n +25 83 ALA n +25 84 LEU n +25 85 VAL n +25 86 GLU n +25 87 GLY n +25 88 GLY n +25 89 ASP n +25 90 ARG n +25 91 TYR n +25 92 ASN n +25 93 ASN n +25 94 GLY n +25 95 LEU n +25 96 TYR n +25 97 LYS n +26 1 MET n +26 2 THR n +26 3 ILE n +26 4 LEU n +26 5 PHE n +26 6 GLN n +26 7 LEU n +26 8 ALA n +26 9 LEU n +26 10 ALA n +26 11 ALA n +26 12 LEU n +26 13 VAL n +26 14 ILE n +26 15 LEU n +26 16 SER n +26 17 PHE n +26 18 VAL n +26 19 MET n +26 20 VAL n +26 21 ILE n +26 22 GLY n +26 23 VAL n +26 24 PRO n +26 25 VAL n +26 26 ALA n +26 27 TYR n +26 28 ALA n +26 29 SER n +26 30 PRO n +26 31 GLN n +26 32 ASP n +26 33 TRP n +26 34 ASP n +26 35 ARG n +26 36 SER n +26 37 LYS n +26 38 GLN n +26 39 LEU n +26 40 ILE n +26 41 PHE n +26 42 LEU n +26 43 GLY n +26 44 SER n +26 45 GLY n +26 46 LEU n +26 47 TRP n +26 48 ILE n +26 49 ALA n +26 50 LEU n +26 51 VAL n +26 52 LEU n +26 53 VAL n +26 54 VAL n +26 55 GLY n +26 56 VAL n +26 57 LEU n +26 58 ASN n +26 59 PHE n +26 60 PHE n +26 61 VAL n +26 62 VAL n +27 1 ASP n +27 2 TRP n +27 3 ARG n +27 4 VAL n +27 5 LEU n +27 6 VAL n +27 7 VAL n +27 8 LEU n +27 9 LEU n +27 10 PRO n +27 11 VAL n +27 12 LEU n +27 13 LEU n +27 14 ALA n +27 15 ALA n +27 16 GLY n +27 17 TRP n +27 18 ALA n +27 19 VAL n +27 20 ARG n +27 21 ASN n +27 22 ILE n +27 23 LEU n +27 24 PRO n +27 25 TYR n +27 26 ALA n +27 27 VAL n +27 28 LYS n +27 29 GLN n +27 30 VAL n +27 31 GLN n +27 32 LYS n +27 33 LEU n +27 34 LEU n +# +_pdbx_refine_tls.id 1 +_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine_tls.method refined +_pdbx_refine_tls.origin_x 13.8030 +_pdbx_refine_tls.origin_y -14.6390 +_pdbx_refine_tls.origin_z -24.9140 +_pdbx_refine_tls.T[1][1] 0.0112 +_pdbx_refine_tls.T[2][2] 0.6748 +_pdbx_refine_tls.T[3][3] 0.7145 +_pdbx_refine_tls.T[1][2] -0.0337 +_pdbx_refine_tls.T[1][3] -0.0290 +_pdbx_refine_tls.T[2][3] 0.0392 +_pdbx_refine_tls.L[1][1] 0.1430 +_pdbx_refine_tls.L[2][2] 0.4412 +_pdbx_refine_tls.L[3][3] 0.4380 +_pdbx_refine_tls.L[1][2] -0.0820 +_pdbx_refine_tls.L[1][3] -0.0472 +_pdbx_refine_tls.L[2][3] 0.1305 +_pdbx_refine_tls.S[1][1] -0.0058 +_pdbx_refine_tls.S[1][2] -0.0285 +_pdbx_refine_tls.S[1][3] -0.0068 +_pdbx_refine_tls.S[2][1] 0.0353 +_pdbx_refine_tls.S[2][2] 0.0195 +_pdbx_refine_tls.S[2][3] -0.0171 +_pdbx_refine_tls.S[3][1] -0.0364 +_pdbx_refine_tls.S[3][2] 0.0124 +_pdbx_refine_tls.S[3][3] -0.0137 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.number +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +r_bond_refined_d 'X-RAY DIFFRACTION' 62452 0.012 0.017 +r_bond_other_d 'X-RAY DIFFRACTION' 59707 0.001 0.015 +r_angle_refined_deg 'X-RAY DIFFRACTION' 85623 3.825 1.932 +r_angle_other_deg 'X-RAY DIFFRACTION' 137368 1.277 1.711 +r_dihedral_angle_1_deg 'X-RAY DIFFRACTION' 6656 6.175 5.207 +r_dihedral_angle_2_deg 'X-RAY DIFFRACTION' 876 9.967 5.000 +r_dihedral_angle_3_deg 'X-RAY DIFFRACTION' 7631 14.292 10.000 +r_chiral_restr 'X-RAY DIFFRACTION' 8725 0.350 0.200 +r_gen_planes_refined 'X-RAY DIFFRACTION' 69504 0.010 0.020 +r_gen_planes_other 'X-RAY DIFFRACTION' 14446 0.006 0.020 +r_mcbond_it 'X-RAY DIFFRACTION' 25200 0.841 0.951 +r_mcbond_other 'X-RAY DIFFRACTION' 25196 0.739 0.950 +r_mcangle_it 'X-RAY DIFFRACTION' 31664 1.282 1.697 +r_mcangle_other 'X-RAY DIFFRACTION' 31665 1.282 1.698 +r_scbond_it 'X-RAY DIFFRACTION' 37252 1.106 1.299 +r_scbond_other 'X-RAY DIFFRACTION' 37253 1.106 1.299 +r_scangle_other 'X-RAY DIFFRACTION' 53933 1.689 2.280 +r_long_range_B_refined 'X-RAY DIFFRACTION' 64843 2.957 9.660 +r_long_range_B_other 'X-RAY DIFFRACTION' 64842 2.956 9.660 +# +_refine_ls_shell.d_res_high 2.200 +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.d_res_low 2.256 +_refine_ls_shell.number_reflns_R_work 29238 +_refine_ls_shell.percent_reflns_obs 99.95 +_refine_ls_shell.R_factor_R_work 0.385 +_refine_ls_shell.number_reflns_R_free 1487 +_refine_ls_shell.R_factor_R_free 0.389 +# +loop_ +_atom_type.symbol +C +CA +CL +FE +MG +MN +N +O +P +S +# +_cell.entry_id 8IRA +_cell.length_a 125.750 +_cell.length_b 231.600 +_cell.length_c 288.280 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 0 +# +loop_ +_chem_comp.id +_chem_comp.name +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.mon_nstd_flag +_chem_comp.type +ALA ALANINE 'C3 H7 N O2' 89.093 y 'L-PEPTIDE LINKING' +ARG ARGININE 'C6 H15 N4 O2' 175.209 y 'L-PEPTIDE LINKING' +ASN ASPARAGINE 'C4 H8 N2 O3' 132.118 y 'L-PEPTIDE LINKING' +ASP 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 y 'L-PEPTIDE LINKING' +BCR BETA-CAROTENE 'C40 H56' 536.873 . NON-POLYMER +BCT 'BICARBONATE ION' 'C H O3' 61.017 . NON-POLYMER +CA 'CALCIUM ION' Ca 40.078 . NON-POLYMER +CL 'CHLORIDE ION' Cl 35.453 . NON-POLYMER +CLA 'CHLOROPHYLL A' 'C55 H72 Mg N4 O5' 893.489 . NON-POLYMER +CYS CYSTEINE 'C3 H7 N O2 S' 121.158 y 'L-PEPTIDE LINKING' +DGD 'DIGALACTOSYL DIACYL GLYCEROL (DGDG)' 'C51 H96 O15' 949.299 . SACCHARIDE +FE2 'FE (II) ION' Fe 55.845 . NON-POLYMER +FME N-FORMYLMETHIONINE 'C6 H11 N O3 S' 177.221 y 'L-PEPTIDE LINKING' +GLN GLUTAMINE 'C5 H10 N2 O3' 146.144 y 'L-PEPTIDE LINKING' +GLU 'GLUTAMIC ACID' 'C5 H9 N O4' 147.129 y 'L-PEPTIDE LINKING' +GLY GLYCINE 'C2 H5 N O2' 75.067 y 'PEPTIDE LINKING' +GOL GLYCEROL 'C3 H8 O3' 92.094 . NON-POLYMER +HEC 'HEME C' 'C34 H34 Fe N4 O4' 618.503 . NON-POLYMER +HEM 'PROTOPORPHYRIN IX CONTAINING FE' 'C34 H32 Fe N4 O4' 616.487 . NON-POLYMER +HIS HISTIDINE 'C6 H10 N3 O2' 156.162 y 'L-PEPTIDE LINKING' +HOH WATER 'H2 O' 18.015 . NON-POLYMER +HTG 'heptyl 1-thio-beta-D-glucopyranoside' 'C13 H26 O5 S' 294.408 . D-saccharide +ILE ISOLEUCINE 'C6 H13 N O2' 131.173 y 'L-PEPTIDE LINKING' +LEU LEUCINE 'C6 H13 N O2' 131.173 y 'L-PEPTIDE LINKING' +LHG 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE 'C38 H75 O10 P' 722.970 . NON-POLYMER +LMG 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE 'C45 H86 O10' 787.158 . NON-POLYMER +LMT DODECYL-BETA-D-MALTOSIDE 'C24 H46 O11' 510.615 . D-SACCHARIDE +LYS LYSINE 'C6 H15 N2 O2' 147.195 y 'L-PEPTIDE LINKING' +MET METHIONINE 'C5 H11 N O2 S' 149.211 y 'L-PEPTIDE LINKING' +MG 'MAGNESIUM ION' Mg 24.305 . NON-POLYMER +OEX 'CA-MN4-O5 CLUSTER' 'Ca Mn4 O5' 339.827 . NON-POLYMER +PHE PHENYLALANINE 'C9 H11 N O2' 165.189 y 'L-PEPTIDE LINKING' +PHO 'PHEOPHYTIN A' 'C55 H74 N4 O5' 871.200 . NON-POLYMER +PL9 +;2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE +; +'C53 H80 O2' 749.201 . NON-POLYMER +PRO PROLINE 'C5 H9 N O2' 115.130 y 'L-PEPTIDE LINKING' +SER SERINE 'C3 H7 N O3' 105.093 y 'L-PEPTIDE LINKING' +SQD 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL 'C41 H78 O12 S' 795.116 . NON-POLYMER +THR THREONINE 'C4 H9 N O3' 119.119 y 'L-PEPTIDE LINKING' +TRP TRYPTOPHAN 'C11 H12 N2 O2' 204.225 y 'L-PEPTIDE LINKING' +TYR TYROSINE 'C9 H11 N O3' 181.189 y 'L-PEPTIDE LINKING' +VAL VALINE 'C5 H11 N O2' 117.146 y 'L-PEPTIDE LINKING' +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.nstd_monomer +_entity_poly.pdbx_strand_id +_entity_poly.nstd_linkage +_entity_poly.type +1 +;ANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGSLLYGNNIITGAVVPSSNAIG +LHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLIYPIGQGSFSD +GMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFGQEEETYNIVA +AHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFAALGISTMAFNLNGFNFNHSVIDAKGNVINTWADIINRANLGMEV +MHERNAHNFPLDLA +; +;ANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGSLLYGNNIITGAVVPSSNAIG +LHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLIYPIGQGSFSD +GMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFGQEEETYNIVA +AHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFAALGISTMAFNLNGFNFNHSVIDAKGNVINTWADIINRANLGMEV +MHERNAHNFPLDLA +; +no A,a no polypeptide(L) +2 +;GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMFVLPFMARLGVTGSWSGWSIT +GETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLELFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGL +FGPGMWVSDPYGLTGSVQPVAPEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS +IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEAWSAIPEKLAFYDYIGNNPAK +GGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPAFFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSF +YGGELNGQTFTDPPTVKSYARKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG +IDPELSPEQVEWGFYQKVGDVTTR +; +;GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMFVLPFMARLGVTGSWSGWSIT +GETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLELFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGL +FGPGMWVSDPYGLTGSVQPVAPEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS +IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEAWSAIPEKLAFYDYIGNNPAK +GGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPAFFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSF +YGGELNGQTFTDPPTVKSYARKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG +IDPELSPEQVEWGFYQKVGDVTTR +; +no B,b no polypeptide(L) +3 +;ATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWGVGPG +GEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAKAMFF +GGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARR +AFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLGKYLM +RSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSP +RSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +;ATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWGVGPG +GEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAKAMFF +GGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARR +AFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLGKYLM +RSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSP +RSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +no C no polypeptide(L) +4 +;ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLL +LLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFA +PSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTAN +RFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMA +PQDQPHENFVFPEEVLPRGNAL +; +;ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLL +LLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFA +PSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTAN +RFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMA +PQDQPHENFVFPEEVLPRGNAL +; +no D no polypeptide(L) +5 +;TTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFLEQL +K +; +;TTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFLEQL +K +; +no E no polypeptide(L) +6 SYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR +SYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR no F no polypeptide(L) +7 ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVSWKAL +ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVSWKAL no H,h no polypeptide(L) +8 (FME)ETLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKDLE +XETLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKDLE yes I,i no polypeptide(L) +9 SEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL +SEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL no J no polypeptide(L) +10 KLPEAYAIFDPLVDVLPVIPVLFLALAFVWQAAVGFR +KLPEAYAIFDPLVDVLPVIPVLFLALAFVWQAAVGFR no K,k no polypeptide(L) +11 EPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN +EPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN no L,l no polypeptide(L) +12 (FME)EVNQLGLIATALFVLVPSVFLIILYVQTESQQ +XEVNQLGLIATALFVLVPSVFLIILYVQTESQQ yes M no polypeptide(L) +13 +;TLTYDDIVGTGLANKCPTLDDTARGAYPIDSSQTYRIARLCLQPTTFLVKEEPKNKRQEAEFVPTKLVTRETTSLDQIQG +ELKVNSDGSLTFVEEDGIDFQPVTVQMAGGERIPLLFTVKNLVASTQPNVTSITTSTDFKGEFNVPSYRTANFLDPKGRG +LASGYDSAIALPQAKEEELARANVKRFSLTKGQISLNVAKVDGRTGEIAGTFESEQLSDDDMGAHEPHEVKIQGVFYASI +EPA +; +;TLTYDDIVGTGLANKCPTLDDTARGAYPIDSSQTYRIARLCLQPTTFLVKEEPKNKRQEAEFVPTKLVTRETTSLDQIQG +ELKVNSDGSLTFVEEDGIDFQPVTVQMAGGERIPLLFTVKNLVASTQPNVTSITTSTDFKGEFNVPSYRTANFLDPKGRG +LASGYDSAIALPQAKEEELARANVKRFSLTKGQISLNVAKVDGRTGEIAGTFESEQLSDDDMGAHEPHEVKIQGVFYASI +EPA +; +no O,o no polypeptide(L) +14 (FME)ETITYVFIFACIIALFFFAIFFREPPRIT +XETITYVFIFACIIALFFFAIFFREPPRIT yes T,t no polypeptide(L) +15 +;LVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLEHFTVTEVE +TALVEGGDRYNNGLYK +; +;LVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLEHFTVTEVE +TALVEGGDRYNNGLYK +; +no U no polypeptide(L) +16 +;AELTPEVLTVPLNSEGKTITLTEKQYLEGKRLFQYACASCHVGGITKTNPSLDLRTETLALATPPRDNIEGLVDYMKNPT +TYDGEQEIAEVHPSLRSADIFPKMRNLTEKDLVAIAGHILVEPKILGDKWGGGKVYY +; +;AELTPEVLTVPLNSEGKTITLTEKQYLEGKRLFQYACASCHVGGITKTNPSLDLRTETLALATPPRDNIEGLVDYMKNPT +TYDGEQEIAEVHPSLRSADIFPKMRNLTEKDLVAIAGHILVEPKILGDKWGGGKVYY +; +no V,v no polypeptide(L) +17 TITPSLKGFFIGLLSGAVVLGLTFAVLIAISQIDKVQR +TITPSLKGFFIGLLSGAVVLGLTFAVLIAISQIDKVQR no X,x no polypeptide(L) +18 VIAQLTMIAMIGIAGPMIIFLLAVRRGNL +VIAQLTMIAMIGIAGPMIIFLLAVRRGNL no Y,y no polypeptide(L) +19 +;NSIFATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWG +VGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAK +AMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFG +WARRAFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLG +KYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVN +FVSPRSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +;NSIFATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWG +VGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAK +AMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFG +WARRAFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLG +KYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVN +FVSPRSWLATSHFVLAFFFLVGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD +; +no c no polypeptide(L) +20 +;RGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLLL +LWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFAP +SFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANR +FWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMAP +QDQPHENFVFPEEVLPRGNAL +; +;RGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLLL +LWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFAP +SFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANR +FWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMAP +QDQPHENFVFPEEVLPRGNAL +; +no d no polypeptide(L) +21 GERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFLEQLK +GERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFLEQLK no e no polypeptide(L) +22 IFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR +IFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR no f no polypeptide(L) +23 MSEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL +MSEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL no j no polypeptide(L) +24 (FME)EVNQLGLIATALFVLVPSVFLIILYVQTESQQK +XEVNQLGLIATALFVLVPSVFLIILYVQTESQQK yes m no polypeptide(L) +25 +;ELVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLEHFTVTEV +ETALVEGGDRYNNGLYK +; +;ELVNVVDEKLGTAYGEKIDLNNTNIAAFIQYRGLYPTLAKLIVKNAPYESVEDVLNIPGLTERQKQILRENLEHFTVTEV +ETALVEGGDRYNNGLYK +; +no u no polypeptide(L) +26 MTILFQLALAALVILSFVMVIGVPVAYASPQDWDRSKQLIFLGSGLWIALVLVVGVLNFFVV +MTILFQLALAALVILSFVMVIGVPVAYASPQDWDRSKQLIFLGSGLWIALVLVVGVLNFFVV no Z,z no polypeptide(L) +27 DWRVLVVLLPVLLAAGWAVRNILPYAVKQVQKLL +DWRVLVVLLPVLLAAGWAVRNILPYAVKQVQKLL no R no polypeptide(L) +# +_exptl.entry_id 8IRA +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number ? +# +_refine.entry_id 8IRA +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' +_refine.ls_d_res_high 2.20 +_refine.ls_d_res_low 19.98 +_refine.ls_percent_reflns_obs 99.76 +_refine.ls_number_reflns_obs 401331 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details RANDOM +_refine.ls_R_factor_obs 0.19951 +_refine.ls_R_factor_R_work 0.19851 +_refine.ls_R_factor_R_free 0.21818 +_refine.ls_percent_reflns_R_free 5.0 +_refine.ls_number_reflns_R_free 21144 +_refine.B_iso_mean 62.797 +_refine.aniso_B[1][1] 14.42 +_refine.aniso_B[2][2] -6.67 +_refine.aniso_B[3][3] -7.76 +_refine.aniso_B[1][2] -0.00 +_refine.aniso_B[1][3] 0.00 +_refine.aniso_B[2][3] 0.00 +_refine.pdbx_overall_ESU_R 0.271 +_refine.pdbx_overall_ESU_R_Free 0.189 +_refine.overall_SU_ML 0.278 +_refine.overall_SU_B 29.374 +_refine.correlation_coeff_Fo_to_Fc 0.966 +_refine.correlation_coeff_Fo_to_Fc_free 0.958 +_refine.solvent_model_details MASK +_refine.pdbx_solvent_vdw_probe_radii 1.20 +_refine.pdbx_solvent_ion_probe_radii 0.70 +_refine.pdbx_solvent_shrinkage_radii 0.70 +_refine.details +; +U VALUES : WITH TLS ADDED +HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT +U VALUES : RESIDUAL ONLY +; +# +loop_ +_software.pdbx_ordinal +_software.name +_software.classification +_software.version +_software.date +1 REFMAC refinement ? ? +2 dssp 'model annotation' 4.4.3 2023-10-02T08:50:04Z +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.entity_id +A N 1 +B N 2 +C N 3 +D N 4 +E N 5 +F N 6 +G N 7 +H N 8 +I N 9 +J N 10 +K N 11 +L N 12 +M N 13 +N N 27 +O N 14 +P N 15 +Q N 16 +R N 17 +S N 18 +T N 26 +U N 1 +V N 2 +W N 19 +X N 20 +Y N 21 +Z N 22 +AA N 7 +AB N 8 +AC N 23 +AD N 10 +AE N 11 +AF N 24 +AG N 13 +AH N 14 +AI N 25 +AJ N 16 +AK N 17 +AL N 18 +AM N 26 +AN N 28 +AO N 29 +AP N 30 +AQ N 31 +AR N 32 +AS N 33 +AT N 33 +AU N 34 +AV N 30 +AW N 30 +AX N 33 +AY N 33 +AZ N 33 +BA N 30 +BB N 32 +BC N 35 +BD N 36 +BE N 36 +BF N 30 +BG N 33 +BH N 33 +BI N 35 +BJ N 34 +BK N 37 +BL N 35 +BM N 36 +BN N 29 +BO N 30 +BP N 33 +BQ N 34 +BR N 34 +BS N 38 +BT N 38 +BU N 36 +BV N 29 +BW N 30 +BX N 30 +BY N 38 +BZ N 39 +CA N 35 +CB N 34 +CC N 40 +CD N 41 +CE N 30 +CF N 30 +CG N 39 +CH N 37 +CI N 34 +CJ N 28 +CK N 29 +CL N 36 +CM N 37 +CN N 33 +CO N 38 +CP N 35 +CQ N 30 +CR N 37 +CS N 36 +CT N 42 +CU N 33 +CV N 37 +CW N 38 +CX N 39 +CY N 32 +CZ N 35 +DA N 36 +DB N 29 +DC N 33 +DD N 38 +DE N 31 +DF N 37 +DG N 34 +DH N 35 +DI N 34 +DJ N 31 +DK N 33 +DL N 37 +DM N 43 +DN N 38 +DO N 38 +DP N 34 +DQ N 30 +DR N 33 +DS N 37 +DT N 33 +DU N 31 +DV N 38 +DW N 35 +DX N 35 +DY N 36 +DZ N 33 +EA N 34 +EB N 33 +EC N 38 +ED N 39 +EE N 31 +EF N 44 +EG N 33 +EH N 33 +EI N 30 +EJ N 38 +EK N 33 +EL N 37 +EM N 31 +EN N 45 +EO N 33 +EP N 33 +EQ N 28 +ER N 37 +ES N 33 +ET N 38 +EU N 40 +EV N 45 +EW N 33 +EX N 33 +EY N 39 +EZ N 30 +FA N 33 +FB N 39 +FC N 38 +FD N 30 +FE N 33 +FF N 33 +FG N 33 +FH N 39 +FI N 46 +FJ N 33 +FK N 37 +FL N 38 +FM N 38 +FN N 33 +FO N 33 +FP N 33 +FQ N 35 +FR N 33 +FS N 33 +FT N 38 +FU N 34 +FV N 33 +FW N 33 +FX N 33 +FY N 38 +FZ N 33 +GA N 33 +GB N 43 +GC N 32 +GD N 33 +GE N 33 +GF N 35 +GG N 33 +GH N 33 +GI N 33 +GJ N 37 +GK N 33 +GL N 33 +GM N 33 +GN N 34 +GO N 30 +GP N 33 +GQ N 33 +GR N 33 +GS N 31 +GT N 30 +GU N 33 +GV N 33 +GW N 38 +GX N 44 +GY N 33 +GZ N 33 +HA N 33 +HB N 38 +HC N 29 +HD N 33 +HE N 33 +HF N 39 +HG N 45 +HH N 33 +HI N 33 +HJ N 30 +HK N 37 +HL N 38 +HM N 30 +HN N 33 +HO N 37 +HP N 45 +HQ N 33 +HR N 33 +HS N 28 +HT N 30 +HU N 29 +HV N 30 +HW N 33 +HX N 42 +HY N 33 +HZ N 33 +IA N 33 +IB N 39 +IC N 46 +ID N 41 +IE N 30 +IF N 33 +IG N 29 +IH N 33 +II N 33 +IJ N 33 +IK N 39 +IL N 38 +IM N 47 +IN N 47 +IO N 47 +IP N 47 +IQ N 47 +IR N 47 +IS N 47 +IT N 47 +IU N 47 +IV N 47 +IW N 47 +IX N 47 +IY N 47 +IZ N 47 +# +loop_ +_struct_conn_type.id +disulf +covale +metalc +# +_symmetry.entry_id 8IRA +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.Int_Tables_number 19 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +_entity.pdbx_parent_entity_id +_entity.formula_weight +1 polymer ? ? 2 ? ? ? ? ? 74040.562 +2 polymer ? ? 2 ? ? ? ? ? 111861.695 +3 polymer ? ? 1 ? ? ? ? ? 49207.340 +4 polymer ? ? 1 ? ? ? ? ? 38405.020 +5 polymer ? ? 1 ? ? ? ? ? 9321.530 +6 polymer ? ? 1 ? ? ? ? ? 3868.618 +7 polymer ? ? 2 ? ? ? ? ? 14323.028 +8 polymer ? ? 2 ? ? ? ? ? 8858.509 +9 polymer ? ? 1 ? ? ? ? ? 3843.524 +10 polymer ? ? 2 ? ? ? ? ? 8185.819 +11 polymer ? ? 2 ? ? ? ? ? 8317.695 +12 polymer ? ? 1 ? ? ? ? ? 3706.354 +13 polymer ? ? 2 ? ? ? ? ? 53029.086 +14 polymer ? ? 2 ? ? ? ? ? 7278.753 +15 polymer ? ? 1 ? ? ? ? ? 10837.223 +16 polymer ? ? 2 ? ? ? ? ? 30278.576 +17 polymer ? ? 2 ? ? ? ? ? 7963.586 +18 polymer ? ? 2 ? ? ? ? ? 6179.835 +19 polymer ? ? 1 ? ? ? ? ? 49668.852 +20 polymer ? ? 1 ? ? ? ? ? 38275.902 +21 polymer ? ? 1 ? ? ? ? ? 9119.322 +22 polymer ? ? 1 ? ? ? ? ? 3521.251 +23 polymer ? ? 1 ? ? ? ? ? 3974.720 +24 polymer ? ? 1 ? ? ? ? ? 3835.534 +25 polymer ? ? 1 ? ? ? ? ? 10966.336 +26 polymer ? ? 2 ? ? ? ? ? 13514.390 +27 polymer ? ? 1 ? ? ? ? ? 3859.739 +28 non-polymer syn +;2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-26,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4BENZOQUINONE +; + 4 ? ? ? ? ? 749.201 +29 non-polymer syn 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-DGLUCOPYRANOSYL]-SN-GLYCEROL 8 ? ? ? ? ? 795.116 +30 non-polymer syn BETA-CAROTENE 22 ? ? ? ? ? 536.873 +31 non-polymer syn 'CALCIUM ION' 7 ? ? ? ? ? 40.078 +32 non-polymer syn 'PHEOPHYTIN A' 4 ? ? ? ? ? 871.200 +33 non-polymer syn 'CHLOROPHYLL A' 70 ? ? ? ? ? 893.489 +34 non-polymer syn 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE 12 ? ? ? ? ? 787.158 +35 non-polymer syn 'HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE' 11 ? ? ? ? ? 294.408 +36 non-polymer syn 'DIGALACTOSYL DIACYL GLYCEROL (DGDG)' 8 ? ? ? ? ? 949.299 +37 non-polymer syn DODECYL-BETA-D-MALTOSIDE 14 ? ? ? ? ? 510.615 +38 non-polymer syn GLYCEROL 21 ? ? ? ? ? 92.094 +39 non-polymer syn 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE 10 ? ? ? ? ? 722.970 +40 non-polymer syn 'MAGNESIUM ION' 2 ? ? ? ? ? 24.305 +41 non-polymer syn 'CA-MN4-O5 CLUSTER' 2 ? ? ? ? ? 339.827 +42 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 2 ? ? ? ? ? 616.487 +43 non-polymer syn 'BICARBONATE ION' 2 ? ? ? ? ? 61.017 +44 non-polymer syn 'FE (II) ION' 2 ? ? ? ? ? 55.845 +45 non-polymer syn 'CHLORIDE ION' 4 ? ? ? ? ? 35.453 +46 non-polymer syn 'HEME C' 2 ? ? ? ? ? 618.503 +47 water nat water 41 ? ? ? ? ? 18.015 +# +loop_ +_dssp_struct_bridge_pairs.id +_dssp_struct_bridge_pairs.label_comp_id +_dssp_struct_bridge_pairs.label_seq_id +_dssp_struct_bridge_pairs.label_asym_id +_dssp_struct_bridge_pairs.auth_seq_id +_dssp_struct_bridge_pairs.auth_asym_id +_dssp_struct_bridge_pairs.pdbx_PDB_ins_code +_dssp_struct_bridge_pairs.acceptor_1_label_comp_id +_dssp_struct_bridge_pairs.acceptor_1_label_seq_id +_dssp_struct_bridge_pairs.acceptor_1_label_asym_id +_dssp_struct_bridge_pairs.acceptor_1_auth_seq_id +_dssp_struct_bridge_pairs.acceptor_1_auth_asym_id +_dssp_struct_bridge_pairs.acceptor_1_pdbx_PDB_ins_code +_dssp_struct_bridge_pairs.acceptor_1_energy +_dssp_struct_bridge_pairs.acceptor_2_label_comp_id +_dssp_struct_bridge_pairs.acceptor_2_label_seq_id +_dssp_struct_bridge_pairs.acceptor_2_label_asym_id +_dssp_struct_bridge_pairs.acceptor_2_auth_seq_id +_dssp_struct_bridge_pairs.acceptor_2_auth_asym_id +_dssp_struct_bridge_pairs.acceptor_2_pdbx_PDB_ins_code +_dssp_struct_bridge_pairs.acceptor_2_energy +_dssp_struct_bridge_pairs.donor_1_label_comp_id +_dssp_struct_bridge_pairs.donor_1_label_seq_id +_dssp_struct_bridge_pairs.donor_1_label_asym_id +_dssp_struct_bridge_pairs.donor_1_auth_seq_id +_dssp_struct_bridge_pairs.donor_1_auth_asym_id +_dssp_struct_bridge_pairs.donor_1_pdbx_PDB_ins_code +_dssp_struct_bridge_pairs.donor_1_energy +_dssp_struct_bridge_pairs.donor_2_label_comp_id +_dssp_struct_bridge_pairs.donor_2_label_seq_id +_dssp_struct_bridge_pairs.donor_2_label_asym_id +_dssp_struct_bridge_pairs.donor_2_auth_seq_id +_dssp_struct_bridge_pairs.donor_2_auth_asym_id +_dssp_struct_bridge_pairs.donor_2_pdbx_PDB_ins_code +_dssp_struct_bridge_pairs.donor_2_energy +1 ALA 1 A 11 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 6 A 16 A ? -0.0 ? ? ? ? ? ? ? +2 ASN 2 A 12 A ? LEU 3 A 13 A ? -0.1 ARG 6 A 16 A ? -0.0 ARG 6 A 16 A ? -1.6 PHE 7 A 17 A ? -0.2 +3 LEU 3 A 13 A ? TRP 4 A 14 A ? -0.2 GLU 5 A 15 A ? -0.2 PHE 7 A 17 A ? -2.2 CYS 8 A 18 A ? -0.2 +4 TRP 4 A 14 A ? GLU 5 A 15 A ? -0.2 ARG 6 A 16 A ? -0.2 CYS 8 A 18 A ? -2.6 LEU 3 A 13 A ? -0.2 +5 GLU 5 A 15 A ? ARG 6 A 16 A ? -0.2 PHE 7 A 17 A ? -0.2 ASN 9 A 19 A ? -2.1 LEU 3 A 13 A ? -0.2 +6 ARG 6 A 16 A ? ASN 2 A 12 A ? -1.6 CYS 8 A 18 A ? -0.2 TRP 10 A 20 A ? -1.6 GLU 5 A 15 A ? -0.2 +7 PHE 7 A 17 A ? LEU 3 A 13 A ? -2.2 ASN 9 A 19 A ? -0.2 VAL 11 A 21 A ? -2.7 GLU 5 A 15 A ? -0.2 +8 CYS 8 A 18 A ? TRP 4 A 14 A ? -2.6 ASN 9 A 19 A ? -0.2 THR 12 A 22 A ? -2.0 ARG 6 A 16 A ? -0.2 +9 ASN 9 A 19 A ? GLU 5 A 15 A ? -2.1 VAL 11 A 21 A ? -0.2 CYS 8 A 18 A ? -0.2 PHE 7 A 17 A ? -0.2 +10 TRP 10 A 20 A ? ARG 6 A 16 A ? -1.6 THR 12 A 22 A ? -0.2 SER 13 A 23 A ? -1.2 VAL 20 A 30 A ? -0.2 +11 VAL 11 A 21 A ? PHE 7 A 17 A ? -2.7 THR 12 A 22 A ? -0.3 GLY 21 A 31 A ? -3.1 VAL 20 A 30 A ? -0.5 +12 THR 12 A 22 A ? CYS 8 A 18 A ? -2.0 PHE 7 A 17 A ? -0.2 VAL 11 A 21 A ? -0.3 THR 14 A 24 A ? -0.2 +13 SER 13 A 23 A ? TRP 10 A 20 A ? -1.2 THR 14 A 24 A ? -0.1 ASN 16 A 26 A ? -0.7 VAL 20 A 30 A ? -0.4 +14 THR 14 A 24 A ? THR 12 A 22 A ? -0.2 ASP 15 A 25 A ? -0.2 SER 13 A 23 A ? -0.1 TYR 19 A 29 A ? -0.1 +15 ASP 15 A 25 A ? TRP 10 A 20 A ? -0.1 LEU 18 A 28 A ? -0.1 ARG 17 A 27 A ? -0.2 THR 14 A 24 A ? -0.2 +16 ASN 16 A 26 A ? SER 13 A 23 A ? -0.7 ARG 17 A 27 A ? -0.1 TYR 19 A 29 A ? -0.1 LEU 450 C 472 C ? -0.1 +17 ARG 17 A 27 A ? ASP 15 A 25 A ? -0.2 LEU 18 A 28 A ? -0.2 TYR 19 A 29 A ? -0.4 GLY 248 D 258 D ? -0.1 +18 LEU 18 A 28 A ? PHE 247 D 257 D ? -0.1 ILE 246 D 256 D ? -0.0 ARG 17 A 27 A ? -0.2 VAL 20 A 30 A ? -0.2 +19 TYR 19 A 29 A ? GLN 245 D 255 D ? -1.8 ARG 17 A 27 A ? -0.4 THR 14 A 24 A ? -0.1 THR 12 A 22 A ? -0.1 +20 VAL 20 A 30 A ? VAL 11 A 21 A ? -0.5 SER 13 A 23 A ? -0.4 GLY 24 A 34 A ? -0.9 TYR 19 A 29 A ? -0.2 +21 GLY 21 A 31 A ? VAL 11 A 21 A ? -3.1 PHE 23 A 33 A ? -0.2 VAL 25 A 35 A ? -1.2 THR 12 A 22 A ? -0.1 +22 TRP 22 A 32 A ? GLY 24 A 34 A ? -0.2 PHE 23 A 33 A ? -0.2 ILE 26 A 36 A ? -0.9 VAL 25 A 35 A ? -0.4 +23 PHE 23 A 33 A ? GLY 24 A 34 A ? -0.2 VAL 25 A 35 A ? -0.2 MET 27 A 37 A ? -2.7 ILE 26 A 36 A ? -1.0 +24 GLY 24 A 34 A ? VAL 20 A 30 A ? -0.9 VAL 25 A 35 A ? -0.2 ILE 28 A 38 A ? -2.7 TRP 22 A 32 A ? -0.2 +25 VAL 25 A 35 A ? GLY 21 A 31 A ? -1.2 TRP 22 A 32 A ? -0.4 GLY 24 A 34 A ? -0.2 PHE 23 A 33 A ? -0.2 +26 ILE 26 A 36 A ? PHE 23 A 33 A ? -1.0 TRP 22 A 32 A ? -0.9 THR 30 A 40 A ? -1.4 GLY 24 A 34 A ? -0.2 +27 MET 27 A 37 A ? PHE 23 A 33 A ? -2.7 ILE 28 A 38 A ? -0.2 LEU 31 A 41 A ? -2.7 LEU 32 A 42 A ? -0.3 +28 ILE 28 A 38 A ? GLY 24 A 34 A ? -2.7 PRO 29 A 39 A ? -0.2 LEU 32 A 42 A ? -1.9 ALA 33 A 43 A ? -0.2 +29 PRO 29 A 39 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 33 A 43 A ? -2.3 ILE 28 A 38 A ? -0.2 +30 THR 30 A 40 A ? ILE 26 A 36 A ? -1.4 LEU 32 A 42 A ? -0.2 ALA 34 A 44 A ? -2.7 THR 35 A 45 A ? -0.2 +31 LEU 31 A 41 A ? MET 27 A 37 A ? -2.7 ILE 26 A 36 A ? -0.2 THR 35 A 45 A ? -2.4 THR 30 A 40 A ? -0.2 +32 LEU 32 A 42 A ? ILE 28 A 38 A ? -1.9 MET 27 A 37 A ? -0.3 ILE 36 A 46 A ? -2.7 CYS 37 A 47 A ? -0.3 +33 ALA 33 A 43 A ? PRO 29 A 39 A ? -2.3 ALA 34 A 44 A ? -0.2 CYS 37 A 47 A ? -2.1 PHE 38 A 48 A ? -0.2 +34 ALA 34 A 44 A ? THR 30 A 40 A ? -2.7 THR 35 A 45 A ? -0.2 PHE 38 A 48 A ? -2.2 ALA 33 A 43 A ? -0.2 +35 THR 35 A 45 A ? LEU 31 A 41 A ? -2.4 CYS 37 A 47 A ? -0.2 VAL 39 A 49 A ? -2.6 ILE 40 A 50 A ? -0.2 +36 ILE 36 A 46 A ? LEU 32 A 42 A ? -2.7 CYS 37 A 47 A ? -0.2 ILE 40 A 50 A ? -2.3 THR 35 A 45 A ? -0.2 +37 CYS 37 A 47 A ? ALA 33 A 43 A ? -2.1 LEU 32 A 42 A ? -0.3 ALA 41 A 51 A ? -2.5 PHE 42 A 52 A ? -0.2 +38 PHE 38 A 48 A ? ALA 34 A 44 A ? -2.2 ALA 33 A 43 A ? -0.2 PHE 42 A 52 A ? -3.2 ILE 43 A 53 A ? -0.2 +39 VAL 39 A 49 A ? THR 35 A 45 A ? -2.6 ILE 40 A 50 A ? -0.2 ILE 43 A 53 A ? -1.9 CYS 37 A 47 A ? -0.2 +40 ILE 40 A 50 A ? ILE 36 A 46 A ? -2.3 THR 35 A 45 A ? -0.2 ALA 44 A 54 A ? -2.6 ALA 45 A 55 A ? -0.2 +41 ALA 41 A 51 A ? CYS 37 A 47 A ? -2.5 ILE 43 A 53 A ? -0.2 ALA 45 A 55 A ? -2.0 VAL 39 A 49 A ? -0.2 +42 PHE 42 A 52 A ? PHE 38 A 48 A ? -3.2 CYS 37 A 47 A ? -0.2 LEU 61 A 71 A ? -1.9 ALA 41 A 51 A ? -0.2 +43 ILE 43 A 53 A ? VAL 39 A 49 A ? -1.9 SER 60 A 70 A ? -0.2 LEU 62 A 72 A ? -2.6 ALA 41 A 51 A ? -0.2 +44 ALA 44 A 54 A ? ILE 40 A 50 A ? -2.6 VAL 39 A 49 A ? -0.2 ALA 41 A 51 A ? -0.2 PHE 42 A 52 A ? -0.2 +45 ALA 45 A 55 A ? ALA 41 A 51 A ? -2.0 ILE 40 A 50 A ? -0.2 SER 60 A 70 A ? -0.5 GLY 59 A 69 A ? -0.3 +46 PRO 46 A 56 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 59 A 69 A ? -0.1 VAL 57 A 67 A ? -0.1 +47 PRO 47 A 57 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 49 A 59 A ? -0.4 SER 58 A 68 A ? -0.3 +48 VAL 48 A 58 A ? VAL 57 A 67 A ? -2.6 ASN 98 A 108 A ? -0.1 VAL 57 A 67 A ? -3.3 ILE 50 A 60 A ? -1.7 +49 ASP 49 A 59 A ? TYR 97 A 107 A ? -2.5 PRO 47 A 57 A ? -0.4 GLY 52 A 62 A ? -1.4 ASN 77 A 87 A ? -0.4 +50 ILE 50 A 60 A ? VAL 48 A 58 A ? -1.7 ASP 51 A 61 A ? -0.3 ASN 77 A 87 A ? -0.8 ASP 49 A 59 A ? -0.2 +51 ASP 51 A 61 A ? GLU 55 A 65 A ? -0.3 SER 76 A 86 A ? -0.2 ILE 50 A 60 A ? -0.3 SER 76 A 86 A ? -0.1 +52 GLY 52 A 62 A ? ASP 49 A 59 A ? -1.4 ILE 53 A 63 A ? -0.1 ILE 50 A 60 A ? -0.1 ASP 49 A 59 A ? -0.1 +53 ILE 53 A 63 A ? GLU 55 A 65 A ? -0.1 GLY 314 C 336 C ? -0.0 LEU 315 C 337 C ? -0.1 GLY 52 A 62 A ? -0.1 +54 ARG 54 A 64 A ? ASP 49 A 59 A ? -0.2 GLU 55 A 65 A ? -0.2 ASP 49 A 59 A ? -0.0 VAL 103 M 106 O ? -0.0 +55 GLU 55 A 65 A ? VAL 57 A 67 A ? -0.0 VAL 48 A 58 A ? -0.0 ASP 51 A 61 A ? -0.3 ILE 50 A 60 A ? -0.3 +56 PRO 56 A 66 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 58 A 68 A ? -0.4 ASP 49 A 59 A ? -0.3 +57 VAL 57 A 67 A ? VAL 48 A 58 A ? -3.3 PRO 46 A 56 A ? -0.1 VAL 48 A 58 A ? -2.6 GLY 59 A 69 A ? -0.5 +58 SER 58 A 68 A ? GLU 302 D 312 D ? -3.2 PRO 56 A 66 A ? -0.4 PHE 304 D 314 D ? -0.3 VAL 72 A 82 A ? -0.0 +59 GLY 59 A 69 A ? VAL 57 A 67 A ? -0.5 ALA 45 A 55 A ? -0.3 ALA 71 A 81 A ? -2.6 LEU 61 A 71 A ? -0.2 +60 SER 60 A 70 A ? ALA 45 A 55 A ? -0.5 GLY 70 A 80 A ? -0.2 ASN 65 A 75 A ? -0.8 TYR 63 A 73 A ? -0.8 +61 LEU 61 A 71 A ? PHE 42 A 52 A ? -1.9 LEU 62 A 72 A ? -0.3 GLY 64 A 74 A ? -1.4 ASN 65 A 75 A ? -0.7 +62 LEU 62 A 72 A ? ILE 43 A 53 A ? -2.6 TYR 63 A 73 A ? -0.3 LEU 61 A 71 A ? -0.3 ALA 44 A 54 A ? -0.1 +63 TYR 63 A 73 A ? SER 60 A 70 A ? -0.8 ILE 43 A 53 A ? -0.2 LEU 62 A 72 A ? -0.3 LEU 61 A 71 A ? -0.2 +64 GLY 64 A 74 A ? LEU 61 A 71 A ? -1.4 ASN 65 A 75 A ? -0.3 ASN 66 A 76 A ? -0.3 LEU 61 A 71 A ? -0.2 +65 ASN 65 A 75 A ? SER 60 A 70 A ? -0.8 LEU 61 A 71 A ? -0.7 GLY 64 A 74 A ? -0.3 ILE 67 A 77 A ? -0.2 +66 ASN 66 A 76 A ? GLY 64 A 74 A ? -0.3 TYR 6 O 6 T ? -0.0 GLY 70 A 80 A ? -2.6 THR 69 A 79 A ? -0.1 +67 ILE 67 A 77 A ? ILE 68 A 78 A ? -0.2 ASN 65 A 75 A ? -0.2 ILE 166 A 176 A ? -0.5 LEU 29 K 30 L ? -0.0 +68 ILE 68 A 78 A ? THR 69 A 79 A ? -0.1 ILE 166 A 176 A ? -0.1 SER 167 A 177 A ? -1.7 ILE 67 A 77 A ? -0.2 +69 THR 69 A 79 A ? ILE 166 A 176 A ? -0.2 SER 167 A 177 A ? -0.1 PHE 304 D 314 D ? -0.5 ILE 67 A 77 A ? -0.2 +70 GLY 70 A 80 A ? ASN 66 A 76 A ? -2.6 THR 303 D 313 D ? -0.1 ILE 166 A 176 A ? -0.6 GLY 168 A 178 A ? -0.4 +71 ALA 71 A 81 A ? GLY 59 A 69 A ? -2.6 GLY 165 A 175 A ? -0.2 VAL 73 A 83 A ? -0.6 GLY 165 A 175 A ? -0.2 +72 VAL 72 A 82 A ? LEU 164 A 174 A ? -1.5 GLY 70 A 80 A ? -0.3 LEU 164 A 174 A ? -2.1 PHE 42 A 52 A ? -0.1 +73 VAL 73 A 83 A ? ALA 71 A 81 A ? -0.6 PRO 163 A 173 A ? -0.2 TYR 102 A 112 A ? -0.4 SER 76 A 86 A ? -0.1 +74 PRO 74 A 84 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 159 A 169 A ? -0.2 ASN 77 A 87 A ? -0.1 +75 SER 75 A 85 A ? GLY 99 A 109 A ? -0.2 PHE 158 A 168 A ? -0.2 GLY 99 A 109 A ? -0.3 GLY 161 A 171 A ? -0.1 +76 SER 76 A 86 A ? ASN 98 A 108 A ? -2.5 ASN 77 A 87 A ? -0.1 ILE 79 A 89 A ? -1.3 GLY 80 A 90 A ? -0.9 +77 ASN 77 A 87 A ? ILE 50 A 60 A ? -0.8 ASP 49 A 59 A ? -0.4 SER 76 A 86 A ? -0.1 ASP 51 A 61 A ? -0.1 +78 ALA 78 A 88 A ? ILE 79 A 89 A ? -0.2 GLY 80 A 90 A ? -0.1 ASN 77 A 87 A ? -0.3 ASP 51 A 61 A ? -0.1 +79 ILE 79 A 89 A ? SER 76 A 86 A ? -1.3 GLY 80 A 90 A ? -0.2 HIS 82 A 92 A ? -2.4 LEU 81 A 91 A ? -0.3 +80 GLY 80 A 90 A ? SER 76 A 86 A ? -0.9 LEU 81 A 91 A ? -0.3 PHE 158 A 168 A ? -1.9 ILE 79 A 89 A ? -0.2 +81 LEU 81 A 91 A ? ARG 335 C 357 C ? -0.4 GLY 156 A 166 A ? -0.3 GLY 197 C 219 C ? -2.7 GLY 80 A 90 A ? -0.3 +82 HIS 82 A 92 A ? ILE 79 A 89 A ? -2.4 PHE 196 C 218 C ? -0.3 TYR 84 A 94 A ? -0.3 PHE 158 A 168 A ? -0.1 +83 PHE 83 A 93 A ? GLY 197 C 219 C ? -0.4 TYR 84 A 94 A ? -0.1 HIS 82 A 92 A ? -0.1 LEU 81 A 91 A ? -0.1 +84 TYR 84 A 94 A ? HIS 82 A 92 A ? -0.3 GLY 100 A 110 A ? -0.1 LEU 104 A 114 A ? -0.2 GLN 103 A 113 A ? -0.1 +85 PRO 85 A 95 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 88 A 98 A ? -1.5 ALA 89 A 99 A ? -0.2 +86 ILE 86 A 96 A ? TRP 87 A 97 A ? -0.3 GLU 88 A 98 A ? -0.2 ALA 89 A 99 A ? -1.7 TRP 95 A 105 A ? -0.1 +87 TRP 87 A 97 A ? GLU 88 A 98 A ? -0.3 FME 1 H 1 I ? -0.1 ILE 86 A 96 A ? -0.3 LYS 5 H 5 I ? -0.1 +88 GLU 88 A 98 A ? PRO 85 A 95 A ? -1.5 FME 1 H 1 I ? -0.0 ALA 90 A 100 A ? -0.3 TRP 87 A 97 A ? -0.3 +89 ALA 89 A 99 A ? ILE 86 A 96 A ? -1.7 PRO 85 A 95 A ? -0.2 FME 1 H 1 I ? -0.1 LEU 92 A 102 A ? -0.1 +90 ALA 90 A 100 A ? GLU 88 A 98 A ? -0.3 SER 91 A 101 A ? -0.1 LEU 92 A 102 A ? -0.3 ALA 89 A 99 A ? -0.1 +91 SER 91 A 101 A ? LEU 92 A 102 A ? -0.1 ILE 86 A 96 A ? -0.1 TRP 95 A 105 A ? -2.2 ALA 90 A 100 A ? -0.1 +92 LEU 92 A 102 A ? ALA 90 A 100 A ? -0.3 GLU 94 A 104 A ? -0.2 LEU 96 A 106 A ? -2.4 TYR 97 A 107 A ? -0.2 +93 ASP 93 A 103 A ? TRP 95 A 105 A ? -0.2 GLU 94 A 104 A ? -0.2 TYR 97 A 107 A ? -2.1 LEU 92 A 102 A ? -0.2 +94 GLU 94 A 104 A ? TRP 95 A 105 A ? -0.2 LEU 96 A 106 A ? -0.2 ASN 98 A 108 A ? -2.0 ASP 93 A 103 A ? -0.2 +95 TRP 95 A 105 A ? SER 91 A 101 A ? -2.2 LEU 96 A 106 A ? -0.2 GLY 100 A 110 A ? -3.2 ASP 93 A 103 A ? -0.2 +96 LEU 96 A 106 A ? LEU 92 A 102 A ? -2.4 GLY 99 A 109 A ? -0.2 GLY 99 A 109 A ? -1.3 TRP 95 A 105 A ? -0.2 +97 TYR 97 A 107 A ? ASP 93 A 103 A ? -2.1 ASN 98 A 108 A ? -0.3 ASP 49 A 59 A ? -2.5 TRP 95 A 105 A ? -0.2 +98 ASN 98 A 108 A ? GLU 94 A 104 A ? -2.0 VAL 48 A 58 A ? -0.2 SER 76 A 86 A ? -2.5 TYR 97 A 107 A ? -0.3 +99 GLY 99 A 109 A ? LEU 96 A 106 A ? -1.3 SER 75 A 85 A ? -0.3 GLN 103 A 113 A ? -0.8 TYR 102 A 112 A ? -0.7 +100 GLY 100 A 110 A ? TRP 95 A 105 A ? -3.2 PRO 101 A 111 A ? -0.2 LEU 104 A 114 A ? -1.5 GLN 103 A 113 A ? -0.8 +101 PRO 101 A 111 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 105 A 115 A ? -3.0 GLY 100 A 110 A ? -0.2 +102 TYR 102 A 112 A ? GLY 99 A 109 A ? -0.7 VAL 73 A 83 A ? -0.4 ILE 106 A 116 A ? -2.7 PHE 107 A 117 A ? -0.3 +103 GLN 103 A 113 A ? GLY 99 A 109 A ? -0.8 GLY 100 A 110 A ? -0.8 PHE 107 A 117 A ? -2.2 HIS 108 A 118 A ? -0.3 +104 LEU 104 A 114 A ? GLY 100 A 110 A ? -1.5 ILE 105 A 115 A ? -0.2 HIS 108 A 118 A ? -1.8 PHE 109 A 119 A ? -0.3 +105 ILE 105 A 115 A ? PRO 101 A 111 A ? -3.0 ILE 106 A 116 A ? -0.2 PHE 109 A 119 A ? -2.7 GLN 103 A 113 A ? -0.2 +106 ILE 106 A 116 A ? TYR 102 A 112 A ? -2.7 HIS 108 A 118 A ? -0.2 LEU 110 A 120 A ? -3.0 LEU 111 A 121 A ? -0.2 +107 PHE 107 A 117 A ? GLN 103 A 113 A ? -2.2 TYR 102 A 112 A ? -0.3 LEU 111 A 121 A ? -2.0 ILE 106 A 116 A ? -0.2 +108 HIS 108 A 118 A ? LEU 104 A 114 A ? -1.8 GLN 103 A 113 A ? -0.3 GLY 112 A 122 A ? -2.9 ILE 106 A 116 A ? -0.2 +109 PHE 109 A 119 A ? ILE 105 A 115 A ? -2.7 LEU 104 A 114 A ? -0.3 ALA 113 A 123 A ? -2.8 SER 114 A 124 A ? -0.2 +110 LEU 110 A 120 A ? ILE 106 A 116 A ? -3.0 GLY 112 A 122 A ? -0.2 SER 114 A 124 A ? -1.9 PHE 109 A 119 A ? -0.2 +111 LEU 111 A 121 A ? PHE 107 A 117 A ? -2.0 ILE 106 A 116 A ? -0.2 CYS 115 A 125 A ? -2.0 LEU 110 A 120 A ? -0.2 +112 GLY 112 A 122 A ? HIS 108 A 118 A ? -2.9 ALA 113 A 123 A ? -0.2 TYR 116 A 126 A ? -1.6 LEU 110 A 120 A ? -0.2 +113 ALA 113 A 123 A ? PHE 109 A 119 A ? -2.8 CYS 115 A 125 A ? -0.2 MET 117 A 127 A ? -1.8 GLY 112 A 122 A ? -0.2 +114 SER 114 A 124 A ? LEU 110 A 120 A ? -1.9 PHE 109 A 119 A ? -0.2 GLY 118 A 128 A ? -1.8 GLY 112 A 122 A ? -0.2 +115 CYS 115 A 125 A ? LEU 111 A 121 A ? -2.0 MET 117 A 127 A ? -0.2 ARG 119 A 129 A ? -3.2 ALA 113 A 123 A ? -0.2 +116 TYR 116 A 126 A ? GLY 112 A 122 A ? -1.6 GLY 118 A 128 A ? -0.2 GLN 120 A 130 A ? -1.4 SER 114 A 124 A ? -0.2 +117 MET 117 A 127 A ? ALA 113 A 123 A ? -1.8 ARG 119 A 129 A ? -0.2 TRP 121 A 131 A ? -1.5 GLN 120 A 130 A ? -0.2 +118 GLY 118 A 128 A ? SER 114 A 124 A ? -1.8 ARG 119 A 129 A ? -0.2 GLU 122 A 132 A ? -2.4 TYR 116 A 126 A ? -0.2 +119 ARG 119 A 129 A ? CYS 115 A 125 A ? -3.2 TRP 121 A 131 A ? -0.2 LEU 123 A 133 A ? -2.3 GLY 118 A 128 A ? -0.2 +120 GLN 120 A 130 A ? TYR 116 A 126 A ? -1.4 MET 117 A 127 A ? -0.2 SER 124 A 134 A ? -1.3 ARG 119 A 129 A ? -0.2 +121 TRP 121 A 131 A ? MET 117 A 127 A ? -1.5 LEU 123 A 133 A ? -0.2 TYR 125 A 135 A ? -1.7 ARG 119 A 129 A ? -0.2 +122 GLU 122 A 132 A ? GLY 118 A 128 A ? -2.4 LEU 123 A 133 A ? -0.2 ARG 126 A 136 A ? -1.8 GLN 120 A 130 A ? -0.2 +123 LEU 123 A 133 A ? ARG 119 A 129 A ? -2.3 SER 124 A 134 A ? -0.2 LEU 127 A 137 A ? -2.0 GLU 122 A 132 A ? -0.2 +124 SER 124 A 134 A ? GLN 120 A 130 A ? -1.3 TYR 125 A 135 A ? -0.2 MET 129 A 139 A ? -3.0 GLY 128 A 138 A ? -0.7 +125 TYR 125 A 135 A ? TRP 121 A 131 A ? -1.7 ARG 126 A 136 A ? -0.2 GLY 128 A 138 A ? -0.8 SER 124 A 134 A ? -0.2 +126 ARG 126 A 136 A ? GLU 122 A 132 A ? -1.8 LEU 127 A 137 A ? -0.2 SER 124 A 134 A ? -0.2 TYR 125 A 135 A ? -0.2 +127 LEU 127 A 137 A ? LEU 123 A 133 A ? -2.0 GLU 122 A 132 A ? -0.1 VAL 444 C 466 C ? -0.4 ARG 126 A 136 A ? -0.2 +128 GLY 128 A 138 A ? TYR 125 A 135 A ? -0.8 SER 124 A 134 A ? -0.7 TYR 125 A 135 A ? -0.2 ARG 130 A 140 A ? -0.2 +129 MET 129 A 139 A ? SER 124 A 134 A ? -3.0 LEU 123 A 133 A ? -0.2 GLY 128 A 138 A ? -0.2 THR 211 D 221 D ? -0.2 +130 ARG 130 A 140 A ? ASN 210 D 220 D ? -2.1 GLY 128 A 138 A ? -0.2 ILE 133 A 143 A ? -0.4 MET 129 A 139 A ? -0.1 +131 PRO 131 A 141 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? CYS 134 A 144 A ? -0.9 VAL 135 A 145 A ? -0.2 +132 TRP 132 A 142 A ? ILE 133 A 143 A ? -0.2 CYS 134 A 144 A ? -0.2 ALA 136 A 146 A ? -0.9 VAL 135 A 145 A ? -0.6 +133 ILE 133 A 143 A ? ARG 130 A 140 A ? -0.4 CYS 134 A 144 A ? -0.2 TYR 137 A 147 A ? -1.6 ALA 136 A 146 A ? -0.7 +134 CYS 134 A 144 A ? PRO 131 A 141 A ? -0.9 VAL 135 A 145 A ? -0.3 SER 138 A 148 A ? -0.9 ILE 133 A 143 A ? -0.2 +135 VAL 135 A 145 A ? TRP 132 A 142 A ? -0.6 TYR 137 A 147 A ? -0.2 ALA 139 A 149 A ? -0.3 CYS 134 A 144 A ? -0.3 +136 ALA 136 A 146 A ? TRP 132 A 142 A ? -0.9 ILE 133 A 143 A ? -0.7 ALA 139 A 149 A ? -1.2 CYS 134 A 144 A ? -0.2 +137 TYR 137 A 147 A ? ILE 133 A 143 A ? -1.6 SER 138 A 148 A ? -0.2 LEU 141 A 151 A ? -2.2 VAL 135 A 145 A ? -0.2 +138 SER 138 A 148 A ? CYS 134 A 144 A ? -0.9 ALA 139 A 149 A ? -0.2 ALA 142 A 152 A ? -2.8 TYR 137 A 147 A ? -0.2 +139 ALA 139 A 149 A ? ALA 136 A 146 A ? -1.2 VAL 135 A 145 A ? -0.3 SER 143 A 153 A ? -1.5 SER 138 A 148 A ? -0.2 +140 PRO 140 A 150 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 144 A 154 A ? -1.9 SER 138 A 148 A ? -0.2 +141 LEU 141 A 151 A ? TYR 137 A 147 A ? -2.2 ALA 142 A 152 A ? -0.2 PHE 145 A 155 A ? -2.1 ALA 139 A 149 A ? -0.2 +142 ALA 142 A 152 A ? SER 138 A 148 A ? -2.8 SER 143 A 153 A ? -0.2 ALA 146 A 156 A ? -1.9 LEU 141 A 151 A ? -0.2 +143 SER 143 A 153 A ? ALA 139 A 149 A ? -1.5 PHE 145 A 155 A ? -0.2 VAL 147 A 157 A ? -1.5 ALA 142 A 152 A ? -0.2 +144 ALA 144 A 154 A ? PRO 140 A 150 A ? -1.9 PHE 145 A 155 A ? -0.2 PHE 148 A 158 A ? -1.7 LEU 149 A 159 A ? -0.3 +145 PHE 145 A 155 A ? LEU 141 A 151 A ? -2.1 ALA 146 A 156 A ? -0.2 LEU 149 A 159 A ? -2.4 ILE 150 A 160 A ? -2.3 +146 ALA 146 A 156 A ? ALA 142 A 152 A ? -1.9 VAL 147 A 157 A ? -0.2 TYR 151 A 161 A ? -2.3 PHE 145 A 155 A ? -0.2 +147 VAL 147 A 157 A ? SER 143 A 153 A ? -1.5 ILE 150 A 160 A ? -0.2 MET 162 A 172 A ? -2.1 ALA 146 A 156 A ? -0.2 +148 PHE 148 A 158 A ? ALA 144 A 154 A ? -1.7 GLY 161 A 171 A ? -0.2 ALA 146 A 156 A ? -0.2 PHE 145 A 155 A ? -0.2 +149 LEU 149 A 159 A ? PHE 145 A 155 A ? -2.4 ALA 144 A 154 A ? -0.3 ILE 153 A 163 A ? -2.2 ALA 146 A 156 A ? -0.2 +150 ILE 150 A 160 A ? PHE 145 A 155 A ? -2.3 PRO 152 A 162 A ? -0.2 GLY 154 A 164 A ? -2.2 GLN 155 A 165 A ? -0.2 +151 TYR 151 A 161 A ? ALA 146 A 156 A ? -2.3 PHE 145 A 155 A ? -0.4 GLN 155 A 165 A ? -2.2 GLY 156 A 166 A ? -0.2 +152 PRO 152 A 162 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 157 A 167 A ? -1.5 GLY 156 A 166 A ? -1.4 +153 ILE 153 A 163 A ? LEU 149 A 159 A ? -2.2 GLN 155 A 165 A ? -0.2 TYR 151 A 161 A ? -0.2 ILE 150 A 160 A ? -0.1 +154 GLY 154 A 164 A ? ILE 150 A 160 A ? -2.2 GLN 155 A 165 A ? -0.2 ILE 153 A 163 A ? -0.2 TYR 151 A 161 A ? -0.1 +155 GLN 155 A 165 A ? TYR 151 A 161 A ? -2.2 ILE 150 A 160 A ? -0.2 GLY 154 A 164 A ? -0.2 ILE 153 A 163 A ? -0.2 +156 GLY 156 A 166 A ? PRO 152 A 162 A ? -1.4 TYR 151 A 161 A ? -0.2 LEU 81 A 91 A ? -0.3 PHE 158 A 168 A ? -0.3 +157 SER 157 A 167 A ? PRO 152 A 162 A ? -1.5 TYR 151 A 161 A ? -0.2 ASP 160 A 170 A ? -1.7 LEU 81 A 91 A ? -0.2 +158 PHE 158 A 168 A ? GLY 80 A 90 A ? -1.9 GLY 156 A 166 A ? -0.3 GLY 161 A 171 A ? -1.6 SER 75 A 85 A ? -0.2 +159 SER 159 A 169 A ? ASP 160 A 170 A ? -0.3 SER 76 A 86 A ? -0.2 PHE 158 A 168 A ? -0.3 ASN 77 A 87 A ? -0.1 +160 ASP 160 A 170 A ? SER 157 A 167 A ? -1.7 MET 162 A 172 A ? -0.1 SER 159 A 169 A ? -0.3 PHE 158 A 168 A ? -0.2 +161 GLY 161 A 171 A ? PHE 158 A 168 A ? -1.6 SER 75 A 85 A ? -0.1 PHE 148 A 158 A ? -0.2 VAL 147 A 157 A ? -0.1 +162 MET 162 A 172 A ? VAL 147 A 157 A ? -2.1 ASP 160 A 170 A ? -0.1 THR 169 A 179 A ? -0.1 GLY 161 A 171 A ? -0.1 +163 PRO 163 A 173 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 165 A 175 A ? -1.4 VAL 73 A 83 A ? -0.2 +164 LEU 164 A 174 A ? VAL 72 A 82 A ? -2.1 GLY 168 A 178 A ? -0.1 VAL 72 A 82 A ? -1.5 ILE 166 A 176 A ? -0.3 +165 GLY 165 A 175 A ? PRO 163 A 173 A ? -1.4 ALA 71 A 81 A ? -0.2 THR 169 A 179 A ? -2.0 ALA 71 A 81 A ? -0.2 +166 ILE 166 A 176 A ? GLY 70 A 80 A ? -0.6 ILE 67 A 77 A ? -0.5 PHE 170 A 180 A ? -1.2 THR 69 A 79 A ? -0.2 +167 SER 167 A 177 A ? ILE 68 A 78 A ? -1.7 GLY 70 A 80 A ? -0.4 ASN 171 A 181 A ? -1.9 ILE 166 A 176 A ? -0.2 +168 GLY 168 A 178 A ? GLY 70 A 80 A ? -0.4 PHE 170 A 180 A ? -0.2 PHE 172 A 182 A ? -2.0 ILE 166 A 176 A ? -0.2 +169 THR 169 A 179 A ? GLY 165 A 175 A ? -2.0 ASN 171 A 181 A ? -0.2 MET 173 A 183 A ? -2.2 SER 167 A 177 A ? -0.2 +170 PHE 170 A 180 A ? ILE 166 A 176 A ? -1.2 ASN 171 A 181 A ? -0.2 ILE 174 A 184 A ? -2.2 GLY 168 A 178 A ? -0.2 +171 ASN 171 A 181 A ? SER 167 A 177 A ? -1.9 PHE 172 A 182 A ? -0.2 VAL 175 A 185 A ? -2.1 PHE 176 A 186 A ? -0.2 +172 PHE 172 A 182 A ? GLY 168 A 178 A ? -2.0 MET 173 A 183 A ? -0.2 PHE 176 A 186 A ? -2.0 PHE 170 A 180 A ? -0.2 +173 MET 173 A 183 A ? THR 169 A 179 A ? -2.2 VAL 175 A 185 A ? -0.2 GLN 177 A 187 A ? -1.8 PHE 172 A 182 A ? -0.2 +174 ILE 174 A 184 A ? PHE 170 A 180 A ? -2.2 PHE 176 A 186 A ? -0.2 ALA 178 A 188 A ? -2.0 MET 173 A 183 A ? -0.2 +175 VAL 175 A 185 A ? ASN 171 A 181 A ? -2.1 PHE 170 A 180 A ? -0.2 GLU 179 A 189 A ? -2.0 ILE 174 A 184 A ? -0.2 +176 PHE 176 A 186 A ? PHE 172 A 182 A ? -2.0 ASN 171 A 181 A ? -0.2 HIS 180 A 190 A ? -2.4 ASN 181 A 191 A ? -0.4 +177 GLN 177 A 187 A ? MET 173 A 183 A ? -1.8 ALA 178 A 188 A ? -0.2 ASN 181 A 191 A ? -2.1 PHE 176 A 186 A ? -0.2 +178 ALA 178 A 188 A ? ILE 174 A 184 A ? -2.0 GLU 179 A 189 A ? -0.2 GLN 177 A 187 A ? -0.2 PHE 176 A 186 A ? -0.2 +179 GLU 179 A 189 A ? VAL 175 A 185 A ? -2.0 ILE 174 A 184 A ? -0.1 ALA 389 C 411 C ? -0.5 GLN 177 A 187 A ? -0.2 +180 HIS 180 A 190 A ? PHE 176 A 186 A ? -2.4 VAL 175 A 185 A ? -0.2 GLY 289 A 299 A ? -2.7 GLN 177 A 187 A ? -0.2 +181 ASN 181 A 191 A ? GLN 177 A 187 A ? -2.1 PHE 176 A 186 A ? -0.4 MET 184 A 194 A ? -1.3 GLN 177 A 187 A ? -0.2 +182 ILE 182 A 192 A ? LEU 183 A 193 A ? -0.3 PHE 176 A 186 A ? -0.2 HIS 185 A 195 A ? -2.1 HIS 188 A 198 A ? -0.3 +183 LEU 183 A 193 A ? MET 184 A 194 A ? -0.3 HIS 188 A 198 A ? -0.1 ILE 182 A 192 A ? -0.3 ASN 181 A 191 A ? -0.1 +184 MET 184 A 194 A ? ASN 181 A 191 A ? -1.3 PHE 290 A 300 A ? -0.1 PHE 290 A 300 A ? -1.8 LEU 183 A 193 A ? -0.3 +185 HIS 185 A 195 A ? ILE 182 A 192 A ? -2.1 GLY 289 A 299 A ? -0.3 GLN 189 A 199 A ? -1.9 HIS 188 A 198 A ? -0.9 +186 PRO 186 A 196 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 190 A 200 A ? -2.5 GLY 191 A 201 A ? -0.1 +187 PHE 187 A 197 A ? GLN 189 A 199 A ? -0.2 HIS 188 A 198 A ? -0.2 GLY 191 A 201 A ? -1.2 GLY 279 A 289 A ? -0.2 +188 HIS 188 A 198 A ? HIS 185 A 195 A ? -0.9 ILE 182 A 192 A ? -0.3 VAL 192 A 202 A ? -2.4 PHE 187 A 197 A ? -0.2 +189 GLN 189 A 199 A ? HIS 185 A 195 A ? -1.9 LEU 190 A 200 A ? -0.2 ALA 193 A 203 A ? -2.3 PHE 187 A 197 A ? -0.2 +190 LEU 190 A 200 A ? PRO 186 A 196 A ? -2.5 VAL 192 A 202 A ? -0.2 GLY 194 A 204 A ? -2.3 GLN 189 A 199 A ? -0.2 +191 GLY 191 A 201 A ? PHE 187 A 197 A ? -1.2 ALA 193 A 203 A ? -0.2 VAL 195 A 205 A ? -2.2 GLN 189 A 199 A ? -0.2 +192 VAL 192 A 202 A ? HIS 188 A 198 A ? -2.4 GLY 194 A 204 A ? -0.2 PHE 196 A 206 A ? -3.3 GLY 197 A 207 A ? -0.4 +193 ALA 193 A 203 A ? GLN 189 A 199 A ? -2.3 GLY 194 A 204 A ? -0.2 GLY 197 A 207 A ? -2.6 GLY 198 A 208 A ? -0.3 +194 GLY 194 A 204 A ? LEU 190 A 200 A ? -2.3 GLY 197 A 207 A ? -0.2 GLY 198 A 208 A ? -1.7 VAL 192 A 202 A ? -0.2 +195 VAL 195 A 205 A ? GLY 191 A 201 A ? -2.2 GLY 197 A 207 A ? -0.2 ALA 199 A 209 A ? -2.3 ALA 193 A 203 A ? -0.2 +196 PHE 196 A 206 A ? VAL 192 A 202 A ? -3.3 GLY 191 A 201 A ? -0.2 LEU 200 A 210 A ? -2.2 ALA 193 A 203 A ? -0.2 +197 GLY 197 A 207 A ? ALA 193 A 203 A ? -2.6 VAL 192 A 202 A ? -0.4 PHE 201 A 211 A ? -3.0 CYS 202 A 212 A ? -0.3 +198 GLY 198 A 208 A ? GLY 194 A 204 A ? -1.7 ALA 193 A 203 A ? -0.3 CYS 202 A 212 A ? -2.0 GLY 197 A 207 A ? -0.2 +199 ALA 199 A 209 A ? VAL 195 A 205 A ? -2.3 PHE 201 A 211 A ? -0.2 ALA 203 A 213 A ? -2.4 GLY 197 A 207 A ? -0.2 +200 LEU 200 A 210 A ? PHE 196 A 206 A ? -2.2 CYS 202 A 212 A ? -0.2 MET 204 A 214 A ? -2.6 GLY 198 A 208 A ? -0.2 +201 PHE 201 A 211 A ? GLY 197 A 207 A ? -3.0 ALA 203 A 213 A ? -0.2 HIS 205 A 215 A ? -3.2 GLY 206 A 216 A ? -0.3 +202 CYS 202 A 212 A ? GLY 198 A 208 A ? -2.0 GLY 197 A 207 A ? -0.3 GLY 206 A 216 A ? -2.5 PHE 201 A 211 A ? -0.2 +203 ALA 203 A 213 A ? ALA 199 A 209 A ? -2.4 HIS 205 A 215 A ? -0.2 SER 207 A 217 A ? -2.6 PHE 201 A 211 A ? -0.2 +204 MET 204 A 214 A ? LEU 200 A 210 A ? -2.6 ALA 199 A 209 A ? -0.2 LEU 208 A 218 A ? -2.3 CYS 202 A 212 A ? -0.2 +205 HIS 205 A 215 A ? PHE 201 A 211 A ? -3.2 GLY 206 A 216 A ? -0.2 VAL 209 A 219 A ? -2.2 THR 210 A 220 A ? -0.3 +206 GLY 206 A 216 A ? CYS 202 A 212 A ? -2.5 PHE 201 A 211 A ? -0.3 THR 210 A 220 A ? -2.0 HIS 205 A 215 A ? -0.2 +207 SER 207 A 217 A ? ALA 203 A 213 A ? -2.6 VAL 209 A 219 A ? -0.2 SER 211 A 221 A ? -1.8 ASN 132 D 142 D ? -0.3 +208 LEU 208 A 218 A ? MET 204 A 214 A ? -2.3 THR 210 A 220 A ? -0.2 SER 212 A 222 A ? -0.9 GLY 206 A 216 A ? -0.2 +209 VAL 209 A 219 A ? HIS 205 A 215 A ? -2.2 THR 210 A 220 A ? -0.2 SER 212 A 222 A ? -0.8 SER 207 A 217 A ? -0.2 +210 THR 210 A 220 A ? GLY 206 A 216 A ? -2.0 HIS 205 A 215 A ? -0.3 LEU 213 A 223 A ? -1.0 LEU 208 A 218 A ? -0.2 +211 SER 211 A 221 A ? SER 207 A 217 A ? -1.8 SER 212 A 222 A ? -0.2 ARG 129 D 139 D ? -2.7 THR 210 A 220 A ? -0.2 +212 SER 212 A 222 A ? LEU 208 A 218 A ? -0.9 VAL 209 A 219 A ? -0.8 ASN 237 A 247 A ? -2.1 SER 211 A 221 A ? -0.2 +213 LEU 213 A 223 A ? THR 210 A 220 A ? -1.0 TYR 236 A 246 A ? -0.2 ILE 481 B 482 B ? -2.8 TYR 236 A 246 A ? -0.2 +214 ILE 214 A 224 A ? THR 235 A 245 A ? -1.8 GLY 480 B 481 B ? -0.3 GLU 216 A 226 A ? -0.6 ASP 482 B 483 B ? -0.2 +215 ARG 215 A 225 A ? ILE 481 B 482 B ? -2.4 LEU 213 A 223 A ? -0.2 GLY 480 B 481 B ? -0.2 ILE 214 A 224 A ? -0.1 +216 GLU 216 A 226 A ? ILE 214 A 224 A ? -0.6 SER 479 B 480 B ? -0.6 THR 218 A 228 A ? -0.3 ARG 215 A 225 A ? -0.2 +217 THR 217 A 227 A ? SER 479 B 480 B ? -0.3 ILE 214 A 224 A ? -0.1 GLU 219 A 229 A ? -0.1 SER 479 B 480 B ? -0.1 +218 THR 218 A 228 A ? GLU 216 A 226 A ? -0.3 SER 222 A 232 A ? -0.1 GLU 221 A 231 A ? -1.1 GLU 216 A 226 A ? -0.1 +219 GLU 219 A 229 A ? THR 220 A 230 A ? -0.2 THR 217 A 227 A ? -0.1 ALA 223 A 233 A ? -0.1 THR 218 A 228 A ? -0.1 +220 THR 220 A 230 A ? LEU 2 B 3 B ? -0.1 SER 222 A 232 A ? -0.1 SER 222 A 232 A ? -0.3 GLU 219 A 229 A ? -0.2 +221 GLU 221 A 231 A ? THR 218 A 228 A ? -1.1 LEU 2 B 3 B ? -0.1 LEU 2 B 3 B ? -0.1 THR 217 A 227 A ? -0.1 +222 SER 222 A 232 A ? GLY 1 B 2 B ? -0.4 THR 220 A 230 A ? -0.3 TYR 225 A 235 A ? -1.2 GLY 226 A 236 A ? -0.1 +223 ALA 223 A 233 A ? ASN 224 A 234 A ? -0.2 TYR 225 A 235 A ? -0.2 GLY 226 A 236 A ? -1.9 TYR 227 A 237 A ? -0.2 +224 ASN 224 A 234 A ? TYR 225 A 235 A ? -0.3 GLY 226 A 236 A ? -0.2 TYR 227 A 237 A ? -1.8 ARG 255 D 265 D ? -0.3 +225 TYR 225 A 235 A ? SER 222 A 232 A ? -1.2 GLY 226 A 236 A ? -0.3 ASN 224 A 234 A ? -0.3 ALA 223 A 233 A ? -0.2 +226 GLY 226 A 236 A ? ALA 223 A 233 A ? -1.9 SER 222 A 232 A ? -0.1 LYS 228 A 238 A ? -0.4 TYR 225 A 235 A ? -0.3 +227 TYR 227 A 237 A ? ASN 224 A 234 A ? -1.8 ALA 223 A 233 A ? -0.2 PHE 229 A 239 A ? -0.5 GLU 234 A 244 A ? -0.0 +228 LYS 228 A 238 A ? GLY 226 A 236 A ? -0.4 THR 30 O 30 T ? -0.1 GLN 231 A 241 A ? -2.3 THR 30 O 30 T ? -0.1 +229 PHE 229 A 239 A ? TYR 227 A 237 A ? -0.5 GLY 230 A 240 A ? -0.3 THR 30 O 30 T ? -1.9 ASN 253 D 263 D ? -0.1 +230 GLY 230 A 240 A ? GLN 231 A 241 A ? -0.3 ILE 29 O 29 T ? -0.2 PHE 229 A 239 A ? -0.3 ILE 29 O 29 T ? -0.1 +231 GLN 231 A 241 A ? LYS 228 A 238 A ? -2.3 GLU 232 A 242 A ? -0.1 GLY 230 A 240 A ? -0.3 MET 236 D 246 D ? -0.2 +232 GLU 232 A 242 A ? GLU 231 D 241 D ? -0.1 GLU 234 A 244 A ? -0.1 GLU 232 D 242 D ? -2.1 GLU 234 A 244 A ? -0.2 +233 GLU 233 A 243 A ? GLU 231 D 241 D ? -0.2 GLU 234 A 244 A ? -0.1 GLU 231 D 241 D ? -0.2 ALA 230 D 240 D ? -0.1 +234 GLU 234 A 244 A ? ALA 230 D 240 D ? -3.3 GLU 232 A 242 A ? -0.2 GLU 233 A 243 A ? -0.1 GLU 232 A 242 A ? -0.1 +235 THR 235 A 245 A ? GLN 231 A 241 A ? -0.1 LEU 213 A 223 A ? -0.0 ILE 214 A 224 A ? -1.8 ASN 237 A 247 A ? -0.3 +236 TYR 236 A 246 A ? LEU 213 A 223 A ? -0.2 GLY 480 B 481 B ? -0.0 ILE 238 A 248 A ? -0.8 LEU 213 A 223 A ? -0.2 +237 ASN 237 A 247 A ? SER 212 A 222 A ? -2.1 THR 235 A 245 A ? -0.3 ALA 241 A 251 A ? -1.6 ALA 240 A 250 A ? -0.4 +238 ILE 238 A 248 A ? TYR 236 A 246 A ? -0.8 VAL 239 A 249 A ? -0.2 HIS 242 A 252 A ? -2.7 GLY 243 A 253 A ? -0.2 +239 VAL 239 A 249 A ? PRO 227 D 237 D ? -0.3 ALA 240 A 250 A ? -0.2 GLY 243 A 253 A ? -2.1 ILE 238 A 248 A ? -0.2 +240 ALA 240 A 250 A ? ASN 237 A 247 A ? -0.4 HIS 242 A 252 A ? -0.2 TYR 244 A 254 A ? -1.6 VAL 239 A 249 A ? -0.2 +241 ALA 241 A 251 A ? ASN 237 A 247 A ? -1.6 GLY 243 A 253 A ? -0.2 PHE 245 A 255 A ? -2.8 GLY 246 A 256 A ? -0.2 +242 HIS 242 A 252 A ? ILE 238 A 248 A ? -2.7 GLY 243 A 253 A ? -0.2 GLY 246 A 256 A ? -2.6 ARG 247 A 257 A ? -0.2 +243 GLY 243 A 253 A ? VAL 239 A 249 A ? -2.1 ILE 238 A 248 A ? -0.2 ARG 247 A 257 A ? -0.8 HIS 242 A 252 A ? -0.2 +244 TYR 244 A 254 A ? ALA 240 A 250 A ? -1.6 GLY 246 A 256 A ? -0.2 LEU 248 A 258 A ? -1.6 ARG 247 A 257 A ? -0.4 +245 PHE 245 A 255 A ? ALA 241 A 251 A ? -2.8 GLY 246 A 256 A ? -0.2 ILE 249 A 259 A ? -1.7 PHE 250 A 260 A ? -0.2 +246 GLY 246 A 256 A ? HIS 242 A 252 A ? -2.6 ALA 241 A 251 A ? -0.2 PHE 245 A 255 A ? -0.2 ALA 253 A 263 A ? -0.2 +247 ARG 247 A 257 A ? GLY 243 A 253 A ? -0.8 TYR 244 A 254 A ? -0.4 PHE 19 D 29 D ? -0.5 PHE 245 A 255 A ? -0.2 +248 LEU 248 A 258 A ? TYR 244 A 254 A ? -1.6 PHE 250 A 260 A ? -0.1 GLY 246 A 256 A ? -0.2 ARG 247 A 257 A ? -0.2 +249 ILE 249 A 259 A ? PHE 245 A 255 A ? -1.7 PHE 250 A 260 A ? -0.1 GLN 251 A 261 A ? -0.3 PHE 19 D 29 D ? -0.3 +250 PHE 250 A 260 A ? PHE 245 A 255 A ? -0.2 VAL 18 D 28 D ? -0.1 ALA 253 A 263 A ? -2.4 SER 254 A 264 A ? -0.3 +251 GLN 251 A 261 A ? PHE 17 D 27 D ? -0.4 TYR 252 A 262 A ? -0.3 SER 254 A 264 A ? -1.2 ARG 247 A 257 A ? -0.1 +252 TYR 252 A 262 A ? ALA 253 A 263 A ? -0.3 GLY 246 A 256 A ? -0.1 GLN 251 A 261 A ? -0.3 GLY 246 A 256 A ? -0.1 +253 ALA 253 A 263 A ? PHE 250 A 260 A ? -2.4 GLY 246 A 256 A ? -0.2 PHE 255 A 265 A ? -0.4 TYR 252 A 262 A ? -0.3 +254 SER 254 A 264 A ? GLN 251 A 261 A ? -1.2 PHE 250 A 260 A ? -0.3 ASN 256 A 266 A ? -0.4 HIS 242 A 252 A ? -0.1 +255 PHE 255 A 265 A ? ALA 253 A 263 A ? -0.4 ASN 256 A 266 A ? -0.1 PHE 245 A 255 A ? -0.1 GLY 246 A 256 A ? -0.1 +256 ASN 256 A 266 A ? SER 254 A 264 A ? -0.4 ASN 257 A 267 A ? -0.1 SER 258 A 268 A ? -0.7 PHE 255 A 265 A ? -0.1 +257 ASN 257 A 267 A ? SER 258 A 268 A ? -0.1 ASN 226 D 236 D ? -0.0 LEU 261 A 271 A ? -1.9 HIS 262 A 272 A ? -0.1 +258 SER 258 A 268 A ? ASN 256 A 266 A ? -0.7 ARG 259 A 269 A ? -0.2 HIS 262 A 272 A ? -2.5 PHE 263 A 273 A ? -0.2 +259 ARG 259 A 269 A ? PHE 222 D 232 D ? -0.2 LEU 261 A 271 A ? -0.2 PHE 263 A 273 A ? -2.0 SER 258 A 268 A ? -0.2 +260 SER 260 A 270 A ? HIS 262 A 272 A ? -0.2 PHE 222 D 232 D ? -0.2 PHE 264 A 274 A ? -2.3 SER 258 A 268 A ? -0.2 +261 LEU 261 A 271 A ? ASN 257 A 267 A ? -1.9 PHE 263 A 273 A ? -0.2 LEU 265 A 275 A ? -2.1 ARG 259 A 269 A ? -0.2 +262 HIS 262 A 272 A ? SER 258 A 268 A ? -2.5 PHE 263 A 273 A ? -0.2 ALA 266 A 276 A ? -1.6 SER 260 A 270 A ? -0.2 +263 PHE 263 A 273 A ? ARG 259 A 269 A ? -2.0 LEU 265 A 275 A ? -0.2 ALA 267 A 277 A ? -3.1 HIS 262 A 272 A ? -0.2 +264 PHE 264 A 274 A ? SER 260 A 270 A ? -2.3 LEU 265 A 275 A ? -0.2 TRP 268 A 278 A ? -2.4 HIS 262 A 272 A ? -0.2 +265 LEU 265 A 275 A ? LEU 261 A 271 A ? -2.1 ALA 266 A 276 A ? -0.2 PHE 264 A 274 A ? -0.2 PHE 263 A 273 A ? -0.2 +266 ALA 266 A 276 A ? HIS 262 A 272 A ? -1.6 GLY 205 D 215 D ? -0.2 VAL 270 A 280 A ? -1.5 PHE 264 A 274 A ? -0.2 +267 ALA 267 A 277 A ? PHE 263 A 273 A ? -3.1 TRP 268 A 278 A ? -0.2 VAL 271 A 281 A ? -3.0 GLY 272 A 282 A ? -0.4 +268 TRP 268 A 278 A ? PHE 264 A 274 A ? -2.4 PRO 269 A 279 A ? -0.2 GLY 272 A 282 A ? -2.0 ALA 267 A 277 A ? -0.2 +269 PRO 269 A 279 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 273 A 283 A ? -2.6 TRP 268 A 278 A ? -0.2 +270 VAL 270 A 280 A ? ALA 266 A 276 A ? -1.5 LEU 265 A 275 A ? -0.2 TRP 274 A 284 A ? -2.1 TRP 268 A 278 A ? -0.2 +271 VAL 271 A 281 A ? ALA 267 A 277 A ? -3.0 GLY 272 A 282 A ? -0.2 PHE 275 A 285 A ? -2.0 VAL 270 A 280 A ? -0.2 +272 GLY 272 A 282 A ? TRP 268 A 278 A ? -2.0 ALA 267 A 277 A ? -0.4 ALA 276 A 286 A ? -1.7 VAL 271 A 281 A ? -0.2 +273 VAL 273 A 283 A ? PRO 269 A 279 A ? -2.6 PHE 275 A 285 A ? -0.2 ALA 277 A 287 A ? -3.0 GLY 272 A 282 A ? -0.2 +274 TRP 274 A 284 A ? VAL 270 A 280 A ? -2.1 ALA 276 A 286 A ? -0.2 LEU 278 A 288 A ? -2.6 VAL 273 A 283 A ? -0.2 +275 PHE 275 A 285 A ? VAL 271 A 281 A ? -2.0 ALA 277 A 287 A ? -0.2 GLY 279 A 289 A ? -1.9 VAL 273 A 283 A ? -0.2 +276 ALA 276 A 286 A ? GLY 272 A 282 A ? -1.7 LEU 278 A 288 A ? -0.2 ILE 280 A 290 A ? -1.9 GLY 279 A 289 A ? -0.3 +277 ALA 277 A 287 A ? VAL 273 A 283 A ? -3.0 LEU 278 A 288 A ? -0.2 SER 281 A 291 A ? -2.2 PHE 275 A 285 A ? -0.2 +278 LEU 278 A 288 A ? TRP 274 A 284 A ? -2.6 ILE 280 A 290 A ? -0.2 THR 282 A 292 A ? -1.6 ALA 277 A 287 A ? -0.2 +279 GLY 279 A 289 A ? PHE 275 A 285 A ? -1.9 ALA 276 A 286 A ? -0.3 MET 283 A 293 A ? -2.5 THR 282 A 292 A ? -0.3 +280 ILE 280 A 290 A ? ALA 276 A 286 A ? -1.9 SER 281 A 291 A ? -0.2 ALA 284 A 294 A ? -1.0 LEU 278 A 288 A ? -0.2 +281 SER 281 A 291 A ? ALA 277 A 287 A ? -2.2 ALA 276 A 286 A ? -0.2 ILE 280 A 290 A ? -0.2 GLY 279 A 289 A ? -0.2 +282 THR 282 A 292 A ? LEU 278 A 288 A ? -1.6 GLY 279 A 289 A ? -0.3 PHE 285 A 295 A ? -1.4 LEU 287 A 297 A ? -1.2 +283 MET 283 A 293 A ? GLY 279 A 289 A ? -2.5 ALA 284 A 294 A ? -0.3 ASN 286 A 296 A ? -2.1 SER 281 A 291 A ? -0.2 +284 ALA 284 A 294 A ? ILE 280 A 290 A ? -1.0 PHE 285 A 295 A ? -0.3 MET 283 A 293 A ? -0.3 THR 282 A 292 A ? -0.2 +285 PHE 285 A 295 A ? THR 282 A 292 A ? -1.4 LEU 287 A 297 A ? -0.1 ALA 284 A 294 A ? -0.3 MET 283 A 293 A ? -0.2 +286 ASN 286 A 296 A ? MET 283 A 293 A ? -2.1 LEU 287 A 297 A ? -0.2 GLY 380 C 402 C ? -1.6 ASN 288 A 298 A ? -0.9 +287 LEU 287 A 297 A ? THR 282 A 292 A ? -1.2 LEU 379 C 401 C ? -0.1 SER 381 C 403 C ? -0.2 ASN 286 A 296 A ? -0.2 +288 ASN 288 A 298 A ? GLY 380 C 402 C ? -2.7 ASN 286 A 296 A ? -0.9 LEU 382 C 404 C ? -1.9 ASN 181 A 191 A ? -0.2 +289 GLY 289 A 299 A ? HIS 180 A 190 A ? -2.7 SER 381 C 403 C ? -0.2 HIS 185 A 195 A ? -0.3 ASN 288 A 298 A ? -0.2 +290 PHE 290 A 300 A ? MET 184 A 194 A ? -1.8 SER 381 C 403 C ? -0.2 PHE 292 A 302 A ? -0.6 GLY 289 A 299 A ? -0.2 +291 ASN 291 A 301 A ? ASN 288 A 298 A ? -0.1 PHE 292 A 302 A ? -0.1 PHE 290 A 300 A ? -0.1 SER 381 C 403 C ? -0.1 +292 PHE 292 A 302 A ? PHE 290 A 300 A ? -0.6 ALA 308 A 318 A ? -0.1 SER 295 A 305 A ? -1.7 HIS 294 A 304 A ? -0.5 +293 ASN 293 A 303 A ? HIS 294 A 304 A ? -0.3 GLU 391 C 413 C ? -0.3 ASN 393 C 415 C ? -1.6 ASN 291 A 301 A ? -0.1 +294 HIS 294 A 304 A ? PHE 292 A 302 A ? -0.5 ILE 392 C 414 C ? -0.1 ASN 293 A 303 A ? -0.3 ASN 305 A 315 A ? -0.1 +295 SER 295 A 305 A ? PHE 292 A 302 A ? -1.7 SER 36 I 37 J ? -0.1 SER 37 I 38 J ? -2.0 ILE 297 A 307 A ? -0.5 +296 VAL 296 A 306 A ? ILE 304 A 314 A ? -0.3 PHE 292 A 302 A ? -0.3 ILE 304 A 314 A ? -2.1 ASP 298 A 308 A ? -0.3 +297 ILE 297 A 307 A ? SER 295 A 305 A ? -0.5 VAL 303 A 313 A ? -0.2 VAL 303 A 313 A ? -0.2 GLY 35 I 36 J ? -0.2 +298 ASP 298 A 308 A ? ASN 302 A 312 A ? -2.3 VAL 296 A 306 A ? -0.3 ASP 50 E 53 E ? -0.2 GLY 301 A 311 A ? -0.1 +299 ALA 299 A 309 A ? PRO 49 E 52 E ? -2.7 ALA 1 Q 1 V ? -0.3 LEU 3 Q 3 V ? -0.5 GLU 2 Q 2 V ? -0.2 +300 LYS 300 A 310 A ? ALA 1 Q 1 V ? -0.5 PRO 49 E 52 E ? -0.4 ALA 299 A 309 A ? -0.2 GLU 2 Q 2 V ? -0.1 +301 GLY 301 A 311 A ? ASN 302 A 312 A ? -0.3 ALA 1 Q 1 V ? -0.2 ALA 299 A 309 A ? -0.1 ILE 125 Q 125 V ? -0.1 +302 ASN 302 A 312 A ? VAL 303 A 313 A ? -0.1 ALA 1 Q 1 V ? -0.1 ASP 298 A 308 A ? -2.3 ILE 304 A 314 A ? -0.5 +303 VAL 303 A 313 A ? ILE 297 A 307 A ? -0.2 LEU 126 Q 126 V ? -0.1 ASN 305 A 315 A ? -0.7 ILE 297 A 307 A ? -0.2 +304 ILE 304 A 314 A ? VAL 296 A 306 A ? -2.1 ASN 302 A 312 A ? -0.5 VAL 296 A 306 A ? -0.3 LEU 53 D 63 D ? -0.1 +305 ASN 305 A 315 A ? VAL 303 A 313 A ? -0.7 GLY 52 D 62 D ? -0.3 ALA 54 D 64 D ? -2.2 TRP 307 A 317 A ? -0.2 +306 THR 306 A 316 A ? LEU 53 D 63 D ? -0.2 PHE 292 A 302 A ? -0.2 ILE 310 A 320 A ? -1.1 ASP 309 A 319 A ? -0.7 +307 TRP 307 A 317 A ? THR 65 D 75 D ? -0.6 ALA 54 D 64 D ? -0.3 ILE 311 A 321 A ? -2.0 ASN 312 A 322 A ? -0.1 +308 ALA 308 A 318 A ? ASP 309 A 319 A ? -0.2 ILE 310 A 320 A ? -0.2 ASN 312 A 322 A ? -1.6 TRP 307 A 317 A ? -0.2 +309 ASP 309 A 319 A ? THR 306 A 316 A ? -0.7 ILE 311 A 321 A ? -0.2 ARG 313 A 323 A ? -1.7 ALA 308 A 318 A ? -0.2 +310 ILE 310 A 320 A ? THR 306 A 316 A ? -1.1 ASN 312 A 322 A ? -0.2 ALA 314 A 324 A ? -1.5 ALA 308 A 318 A ? -0.2 +311 ILE 311 A 321 A ? TRP 307 A 317 A ? -2.0 ASN 312 A 322 A ? -0.2 ASN 315 A 325 A ? -2.6 ASP 309 A 319 A ? -0.2 +312 ASN 312 A 322 A ? ALA 308 A 318 A ? -1.6 ARG 313 A 323 A ? -0.2 LEU 316 A 326 A ? -2.4 ILE 310 A 320 A ? -0.2 +313 ARG 313 A 323 A ? ASP 309 A 319 A ? -1.7 ASN 315 A 325 A ? -0.2 GLY 317 A 327 A ? -1.4 ASN 312 A 322 A ? -0.2 +314 ALA 314 A 324 A ? ILE 310 A 320 A ? -1.5 LEU 316 A 326 A ? -0.2 MET 318 A 328 A ? -1.7 ASN 312 A 322 A ? -0.2 +315 ASN 315 A 325 A ? ILE 311 A 321 A ? -2.6 LEU 316 A 326 A ? -0.2 GLU 319 A 329 A ? -2.7 ARG 313 A 323 A ? -0.2 +316 LEU 316 A 326 A ? ASN 312 A 322 A ? -2.4 GLY 317 A 327 A ? -0.2 VAL 320 A 330 A ? -2.8 ASN 315 A 325 A ? -0.2 +317 GLY 317 A 327 A ? ARG 313 A 323 A ? -1.4 GLU 319 A 329 A ? -0.2 MET 321 A 331 A ? -0.8 ILE 315 D 325 D ? -0.3 +318 MET 318 A 328 A ? ALA 314 A 324 A ? -1.7 GLY 314 D 324 D ? -0.2 HIS 322 A 332 A ? -2.0 MET 321 A 331 A ? -0.5 +319 GLU 319 A 329 A ? ASN 315 A 325 A ? -2.7 VAL 320 A 330 A ? -0.2 GLY 317 A 327 A ? -0.2 LEU 316 A 326 A ? -0.2 +320 VAL 320 A 330 A ? LEU 316 A 326 A ? -2.8 MET 321 A 331 A ? -0.2 GLY 339 D 349 D ? -3.8 GLU 319 A 329 A ? -0.2 +321 MET 321 A 331 A ? GLY 317 A 327 A ? -0.8 MET 318 A 328 A ? -0.5 ARG 324 A 334 A ? -0.7 VAL 320 A 330 A ? -0.2 +322 HIS 322 A 332 A ? MET 318 A 328 A ? -2.0 GLU 323 A 333 A ? -0.2 ALA 326 A 336 A ? -0.2 GLY 339 D 349 D ? -0.1 +323 GLU 323 A 333 A ? ARG 324 A 334 A ? -0.2 ASN 325 A 335 A ? -0.1 ALA 326 A 336 A ? -2.2 HIS 327 A 337 A ? -0.3 +324 ARG 324 A 334 A ? MET 321 A 331 A ? -0.7 ASN 325 A 335 A ? -0.3 ASN 340 D 350 D ? -3.2 GLU 323 A 333 A ? -0.2 +325 ASN 325 A 335 A ? GLY 339 D 349 D ? -0.2 ALA 326 A 336 A ? -0.1 ARG 324 A 334 A ? -0.3 THR 313 C 335 C ? -0.2 +326 ALA 326 A 336 A ? GLU 323 A 333 A ? -2.2 HIS 322 A 332 A ? -0.2 ASN 328 A 338 A ? -0.4 GLU 332 C 354 C ? -0.4 +327 HIS 327 A 337 A ? GLU 323 A 333 A ? -0.3 ASN 340 D 350 D ? -0.2 LEU 342 D 352 D ? -0.2 GLY 331 C 353 C ? -0.1 +328 ASN 328 A 338 A ? ALA 326 A 336 A ? -0.4 LEU 331 A 341 A ? -0.1 GLY 93 P 101 U ? -0.2 ALA 341 D 351 D ? -0.2 +329 PHE 329 A 339 A ? LEU 331 A 341 A ? -0.1 ASN 340 D 350 D ? -0.1 GLU 332 C 354 C ? -0.1 ALA 292 C 314 C ? -0.1 +330 PRO 330 A 340 A ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 332 A 342 A ? -0.4 TYR 95 P 103 U ? -0.1 +331 LEU 331 A 341 A ? SER 288 C 310 C ? -0.1 LYS 47 Q 47 V ? -0.1 LEU 333 A 343 A ? -1.3 PHE 329 A 339 A ? -0.1 +332 ASP 332 A 342 A ? PRO 330 A 340 A ? -0.4 LEU 333 A 343 A ? -0.2 SER 288 C 310 C ? -0.0 HIS 327 A 337 A ? -0.0 +333 LEU 333 A 343 A ? LEU 331 A 341 A ? -1.3 ALA 334 A 344 A ? -0.1 ASP 332 A 342 A ? -0.2 SER 288 C 310 C ? -0.1 +334 ALA 334 A 344 A ? LEU 331 A 341 A ? -0.1 SER 288 C 310 C ? -0.1 ASP 332 A 342 A ? -0.1 LEU 333 A 343 A ? -0.1 +335 GLY 1 B 2 B ? THR 220 A 230 A ? -0.1 GLN 7 K 8 L ? -0.1 SER 222 A 232 A ? -0.4 VAL 9 K 10 L ? -0.2 +336 LEU 2 B 3 B ? PRO 8 K 9 L ? -2.9 GLU 221 A 231 A ? -0.1 GLU 10 K 11 L ? -2.2 GLU 221 A 231 A ? -0.1 +337 PRO 3 B 4 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 6 B 7 B ? -1.9 VAL 7 B 8 B ? -0.2 +338 TRP 4 B 5 B ? GLU 10 K 11 L ? -0.4 TYR 5 B 6 B ? -0.3 VAL 7 B 8 B ? -1.0 HIS 8 B 9 B ? -0.2 +339 TYR 5 B 6 B ? ARG 6 B 7 B ? -0.2 VAL 7 B 8 B ? -0.1 TRP 4 B 5 B ? -0.3 HIS 8 B 9 B ? -0.1 +340 ARG 6 B 7 B ? PRO 3 B 4 B ? -1.9 VAL 7 B 8 B ? -0.1 THR 9 B 10 B ? -2.0 TYR 5 B 6 B ? -0.2 +341 VAL 7 B 8 B ? TRP 4 B 5 B ? -1.0 HIS 8 B 9 B ? -0.3 VAL 10 B 11 B ? -1.0 TYR 5 B 6 B ? -0.1 +342 HIS 8 B 9 B ? THR 9 B 10 B ? -0.2 TRP 4 B 5 B ? -0.2 LEU 11 B 12 B ? -1.6 VAL 7 B 8 B ? -0.3 +343 THR 9 B 10 B ? ARG 6 B 7 B ? -2.0 VAL 10 B 11 B ? -0.3 ILE 12 B 13 B ? -1.3 ASN 13 B 14 B ? -0.2 +344 VAL 10 B 11 B ? VAL 7 B 8 B ? -1.0 LEU 11 B 12 B ? -0.2 THR 9 B 10 B ? -0.3 ASN 13 B 14 B ? -0.2 +345 LEU 11 B 12 B ? HIS 8 B 9 B ? -1.6 ILE 12 B 13 B ? -0.1 ASP 14 B 15 B ? -1.9 LEU 18 B 19 B ? -0.2 +346 ILE 12 B 13 B ? THR 9 B 10 B ? -1.3 ASN 13 B 14 B ? -0.3 ILE 233 B 234 B ? -0.2 LEU 11 B 12 B ? -0.1 +347 ASN 13 B 14 B ? THR 9 B 10 B ? -0.2 VAL 10 B 11 B ? -0.2 ILE 12 B 13 B ? -0.3 LEU 11 B 12 B ? -0.1 +348 ASP 14 B 15 B ? LEU 11 B 12 B ? -1.9 PRO 15 B 16 B ? -0.1 LEU 18 B 19 B ? -2.4 ARG 17 B 18 B ? -0.3 +349 PRO 15 B 16 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 19 B 20 B ? -2.8 ALA 20 B 21 B ? -0.2 +350 GLY 16 B 17 B ? TRP 117 B 118 B ? -0.5 ARG 17 B 18 B ? -0.2 ALA 20 B 21 B ? -1.8 ASP 118 B 119 B ? -0.1 +351 ARG 17 B 18 B ? ASP 14 B 15 B ? -0.3 ILE 19 B 20 B ? -0.2 ALA 21 B 22 B ? -2.2 GLY 16 B 17 B ? -0.2 +352 LEU 18 B 19 B ? ASP 14 B 15 B ? -2.4 LEU 11 B 12 B ? -0.2 HIS 22 B 23 B ? -2.5 GLY 16 B 17 B ? -0.2 +353 ILE 19 B 20 B ? PRO 15 B 16 B ? -2.8 ALA 20 B 21 B ? -0.2 LEU 23 B 24 B ? -2.9 ARG 17 B 18 B ? -0.2 +354 ALA 20 B 21 B ? GLY 16 B 17 B ? -1.8 HIS 113 B 114 B ? -0.2 MET 24 B 25 B ? -2.1 ILE 19 B 20 B ? -0.2 +355 ALA 21 B 22 B ? ARG 17 B 18 B ? -2.2 LEU 23 B 24 B ? -0.2 HIS 25 B 26 B ? -2.2 ALA 20 B 21 B ? -0.2 +356 HIS 22 B 23 B ? LEU 18 B 19 B ? -2.5 MET 24 B 25 B ? -0.2 THR 26 B 27 B ? -2.3 ALA 20 B 21 B ? -0.2 +357 LEU 23 B 24 B ? ILE 19 B 20 B ? -2.9 LEU 18 B 19 B ? -0.2 ALA 27 B 28 B ? -2.6 ALA 21 B 22 B ? -0.2 +358 MET 24 B 25 B ? ALA 20 B 21 B ? -2.1 THR 26 B 27 B ? -0.2 LEU 28 B 29 B ? -2.3 HIS 22 B 23 B ? -0.2 +359 HIS 25 B 26 B ? ALA 21 B 22 B ? -2.2 ALA 27 B 28 B ? -0.2 VAL 29 B 30 B ? -2.3 MET 24 B 25 B ? -0.2 +360 THR 26 B 27 B ? HIS 22 B 23 B ? -2.3 ALA 27 B 28 B ? -0.2 ALA 30 B 31 B ? -2.4 GLY 31 B 32 B ? -0.2 +361 ALA 27 B 28 B ? LEU 23 B 24 B ? -2.6 LEU 28 B 29 B ? -0.2 GLY 31 B 32 B ? -2.2 THR 26 B 27 B ? -0.2 +362 LEU 28 B 29 B ? MET 24 B 25 B ? -2.3 ALA 30 B 31 B ? -0.2 TRP 32 B 33 B ? -2.0 THR 26 B 27 B ? -0.2 +363 VAL 29 B 30 B ? HIS 25 B 26 B ? -2.3 GLY 31 B 32 B ? -0.2 ALA 33 B 34 B ? -2.1 ALA 27 B 28 B ? -0.2 +364 ALA 30 B 31 B ? THR 26 B 27 B ? -2.4 TRP 32 B 33 B ? -0.2 GLY 34 B 35 B ? -2.2 LEU 28 B 29 B ? -0.2 +365 GLY 31 B 32 B ? ALA 27 B 28 B ? -2.2 THR 26 B 27 B ? -0.2 SER 35 B 36 B ? -2.6 VAL 29 B 30 B ? -0.2 +366 TRP 32 B 33 B ? LEU 28 B 29 B ? -2.0 GLY 34 B 35 B ? -0.2 MET 36 B 37 B ? -3.5 ALA 37 B 38 B ? -0.3 +367 ALA 33 B 34 B ? VAL 29 B 30 B ? -2.1 GLY 34 B 35 B ? -0.2 ALA 37 B 38 B ? -2.0 GLY 31 B 32 B ? -0.2 +368 GLY 34 B 35 B ? ALA 30 B 31 B ? -2.2 MET 36 B 37 B ? -0.2 LEU 38 B 39 B ? -2.5 TRP 32 B 33 B ? -0.2 +369 SER 35 B 36 B ? GLY 31 B 32 B ? -2.6 MET 36 B 37 B ? -0.2 TYR 39 B 40 B ? -1.9 ALA 33 B 34 B ? -0.2 +370 MET 36 B 37 B ? TRP 32 B 33 B ? -3.5 ALA 37 B 38 B ? -0.2 GLU 40 B 41 B ? -2.1 SER 35 B 36 B ? -0.2 +371 ALA 37 B 38 B ? ALA 33 B 34 B ? -2.0 TRP 32 B 33 B ? -0.3 LEU 41 B 42 B ? -2.7 ALA 42 B 43 B ? -0.2 +372 LEU 38 B 39 B ? GLY 34 B 35 B ? -2.5 TYR 39 B 40 B ? -0.2 ALA 42 B 43 B ? -1.5 ALA 37 B 38 B ? -0.2 +373 TYR 39 B 40 B ? SER 35 B 36 B ? -1.9 LEU 41 B 42 B ? -0.2 THR 43 B 44 B ? -0.5 LEU 38 B 39 B ? -0.2 +374 GLU 40 B 41 B ? MET 36 B 37 B ? -2.1 LEU 41 B 42 B ? -0.2 PHE 44 B 45 B ? -1.8 THR 43 B 44 B ? -1.1 +375 LEU 41 B 42 B ? ALA 37 B 38 B ? -2.7 ALA 42 B 43 B ? -0.3 TYR 39 B 40 B ? -0.2 GLU 40 B 41 B ? -0.2 +376 ALA 42 B 43 B ? LEU 38 B 39 B ? -1.5 ALA 37 B 38 B ? -0.2 LEU 41 B 42 B ? -0.3 GLU 40 B 41 B ? -0.2 +377 THR 43 B 44 B ? GLU 40 B 41 B ? -1.1 TYR 39 B 40 B ? -0.5 ASP 45 B 46 B ? -0.3 LEU 41 B 42 B ? -0.2 +378 PHE 44 B 45 B ? GLU 40 B 41 B ? -1.8 TYR 39 B 40 B ? -0.1 MET 54 B 55 B ? -0.0 GLY 58 B 59 B ? -0.0 +379 ASP 45 B 46 B ? THR 43 B 44 B ? -0.3 ASN 52 B 53 B ? -0.1 ASP 48 B 49 B ? -0.4 PHE 44 B 45 B ? -0.1 +380 PRO 46 B 47 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 78 B 79 B ? -0.2 ASP 45 B 46 B ? -0.1 +381 SER 47 B 48 B ? ASP 48 B 49 B ? -0.2 PRO 49 B 50 B ? -0.1 ILE 79 B 80 B ? -0.0 ASP 45 B 46 B ? -0.0 +382 ASP 48 B 49 B ? ASP 45 B 46 B ? -0.4 ASN 52 B 53 B ? -0.3 ASN 52 B 53 B ? -1.5 SER 47 B 48 B ? -0.2 +383 PRO 49 B 50 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 48 B 49 B ? -0.1 SER 47 B 48 B ? -0.1 +384 VAL 50 B 51 B ? ASN 52 B 53 B ? -0.1 LEU 51 B 52 B ? -0.1 PHE 310 B 311 B ? -0.1 ASP 48 B 49 B ? -0.1 +385 LEU 51 B 52 B ? ASN 52 B 53 B ? -0.2 ALA 336 B 337 B ? -0.1 ALA 336 B 337 B ? -0.4 VAL 50 B 51 B ? -0.1 +386 ASN 52 B 53 B ? ASP 48 B 49 B ? -1.5 ILE 335 B 336 B ? -0.1 ASP 48 B 49 B ? -0.3 LEU 51 B 52 B ? -0.2 +387 PRO 53 B 54 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 56 B 57 B ? -2.5 GLN 57 B 58 B ? -0.5 +388 MET 54 B 55 B ? TRP 55 B 56 B ? -0.3 GLU 265 B 266 B ? -0.2 MET 59 B 60 B ? -1.5 GLN 57 B 58 B ? -1.5 +389 TRP 55 B 56 B ? GLU 265 B 266 B ? -0.3 ARG 56 B 57 B ? -0.3 MET 54 B 55 B ? -0.3 MET 329 B 330 B ? -0.2 +390 ARG 56 B 57 B ? PRO 53 B 54 B ? -2.5 GLN 57 B 58 B ? -0.1 ASN 330 B 331 B ? -1.8 MET 329 B 330 B ? -0.5 +391 GLN 57 B 58 B ? MET 54 B 55 B ? -1.5 PRO 53 B 54 B ? -0.5 TRP 55 B 56 B ? -0.2 ARG 56 B 57 B ? -0.1 +392 GLY 58 B 59 B ? MET 59 B 60 B ? -0.2 TRP 55 B 56 B ? -0.2 PHE 60 B 61 B ? -0.4 TRP 55 B 56 B ? -0.2 +393 MET 59 B 60 B ? MET 54 B 55 B ? -1.5 PHE 60 B 61 B ? -0.2 GLY 58 B 59 B ? -0.2 GLN 57 B 58 B ? -0.1 +394 PHE 60 B 61 B ? GLY 58 B 59 B ? -0.4 MET 36 B 37 B ? -0.1 PHE 64 B 65 B ? -0.2 MET 59 B 60 B ? -0.2 +395 VAL 61 B 62 B ? PRO 63 B 64 B ? -0.1 MET 36 B 37 B ? -0.1 MET 65 B 66 B ? -1.6 PHE 64 B 65 B ? -0.8 +396 LEU 62 B 63 B ? PRO 63 B 64 B ? -0.3 PHE 64 B 65 B ? -0.2 ALA 66 B 67 B ? -2.6 MET 65 B 66 B ? -0.3 +397 PRO 63 B 64 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 67 B 68 B ? -2.6 LEU 62 B 63 B ? -0.3 +398 PHE 64 B 65 B ? VAL 61 B 62 B ? -0.8 PHE 60 B 61 B ? -0.2 LEU 68 B 69 B ? -0.7 LEU 62 B 63 B ? -0.2 +399 MET 65 B 66 B ? VAL 61 B 62 B ? -1.6 LEU 62 B 63 B ? -0.3 VAL 70 B 71 B ? -2.1 LEU 68 B 69 B ? -0.8 +400 ALA 66 B 67 B ? LEU 62 B 63 B ? -2.6 ARG 67 B 68 B ? -0.2 GLY 69 B 70 B ? -1.6 PHE 64 B 65 B ? -0.2 +401 ARG 67 B 68 B ? PRO 63 B 64 B ? -2.6 LEU 68 B 69 B ? -0.3 TRP 166 B 167 B ? -2.5 ALA 66 B 67 B ? -0.2 +402 LEU 68 B 69 B ? MET 65 B 66 B ? -0.8 PHE 64 B 65 B ? -0.7 ARG 67 B 68 B ? -0.3 ALA 66 B 67 B ? -0.2 +403 GLY 69 B 70 B ? ALA 66 B 67 B ? -1.6 MET 65 B 66 B ? -0.3 THR 71 B 72 B ? -1.0 ALA 66 B 67 B ? -0.2 +404 VAL 70 B 71 B ? MET 65 B 66 B ? -2.1 THR 71 B 72 B ? -0.2 GLY 69 B 70 B ? -0.2 LEU 68 B 69 B ? -0.1 +405 THR 71 B 72 B ? GLY 69 B 70 B ? -1.0 LEU 68 B 69 B ? -0.1 ILE 79 B 80 B ? -2.2 THR 80 B 81 B ? -0.3 +406 GLY 72 B 73 B ? TRP 90 B 91 B ? -0.3 SER 78 B 79 B ? -0.2 PHE 92 B 93 B ? -2.0 TRP 74 B 75 B ? -0.3 +407 SER 73 B 74 B ? TRP 77 B 78 B ? -2.7 THR 71 B 72 B ? -0.3 GLY 76 B 77 B ? -2.0 ILE 85 B 86 B ? -0.1 +408 TRP 74 B 75 B ? GLY 72 B 73 B ? -0.3 SER 75 B 76 B ? -0.3 SER 73 B 74 B ? -0.1 GLY 88 B 89 B ? -0.1 +409 SER 75 B 76 B ? TRP 77 B 78 B ? -0.1 ALA 108 AG 111 o ? -0.1 GLY 109 AG 112 o ? -1.8 GLY 110 AG 113 o ? -0.4 +410 GLY 76 B 77 B ? SER 73 B 74 B ? -2.0 TRP 77 B 78 B ? -0.3 GLY 84 B 85 B ? -1.4 ILE 85 B 86 B ? -1.2 +411 TRP 77 B 78 B ? THR 83 B 84 B ? -0.2 GLY 84 B 85 B ? -0.2 SER 73 B 74 B ? -2.7 GLY 76 B 77 B ? -0.3 +412 SER 78 B 79 B ? GLU 82 B 83 B ? -1.3 GLY 72 B 73 B ? -0.2 GLY 81 B 82 B ? -1.5 GLY 72 B 73 B ? -0.2 +413 ILE 79 B 80 B ? THR 71 B 72 B ? -2.2 TRP 77 B 78 B ? -0.3 MET 54 B 55 B ? -0.1 GLY 72 B 73 B ? -0.1 +414 THR 80 B 81 B ? THR 71 B 72 B ? -0.3 GLU 82 B 83 B ? -0.1 ILE 79 B 80 B ? -0.3 GLY 72 B 73 B ? -0.1 +415 GLY 81 B 82 B ? SER 78 B 79 B ? -1.5 GLU 82 B 83 B ? -0.3 ILE 79 B 80 B ? -0.1 THR 83 B 84 B ? -0.1 +416 GLU 82 B 83 B ? TRP 77 B 78 B ? -0.0 GLY 84 B 85 B ? -0.0 SER 78 B 79 B ? -1.3 GLY 81 B 82 B ? -0.3 +417 THR 83 B 84 B ? TRP 77 B 78 B ? -0.2 GLY 84 B 85 B ? -0.1 TRP 77 B 78 B ? -0.2 GLY 76 B 77 B ? -0.1 +418 GLY 84 B 85 B ? GLY 76 B 77 B ? -1.4 GLU 82 B 83 B ? -0.3 ASP 86 B 87 B ? -0.2 TRP 77 B 78 B ? -0.2 +419 ILE 85 B 86 B ? GLY 76 B 77 B ? -1.2 GLU 82 B 83 B ? -0.1 GLY 84 B 85 B ? -0.2 SER 73 B 74 B ? -0.1 +420 ASP 86 B 87 B ? GLY 84 B 85 B ? -0.2 PRO 87 B 88 B ? -0.1 TRP 74 B 75 B ? -0.1 PHE 89 B 90 B ? -0.1 +421 PRO 87 B 88 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TRP 90 B 91 B ? -0.4 PHE 89 B 90 B ? -0.1 +422 GLY 88 B 89 B ? PHE 89 B 90 B ? -0.2 SER 73 B 74 B ? -0.1 SER 91 B 92 B ? -0.2 GLY 94 B 95 B ? -0.2 +423 PHE 89 B 90 B ? TRP 90 B 91 B ? -0.2 PRO 87 B 88 B ? -0.1 SER 91 B 92 B ? -2.4 GLY 94 B 95 B ? -0.3 +424 TRP 90 B 91 B ? PRO 87 B 88 B ? -0.4 GLY 94 B 95 B ? -0.2 GLY 72 B 73 B ? -0.3 PHE 89 B 90 B ? -0.2 +425 SER 91 B 92 B ? PHE 89 B 90 B ? -2.4 GLY 88 B 89 B ? -0.2 VAL 95 B 96 B ? -3.0 ALA 96 B 97 B ? -0.3 +426 PHE 92 B 93 B ? GLY 72 B 73 B ? -2.0 GLU 93 B 94 B ? -0.2 ALA 96 B 97 B ? -2.2 SER 73 B 74 B ? -0.1 +427 GLU 93 B 94 B ? VAL 95 B 96 B ? -0.2 GLY 72 B 73 B ? -0.2 LEU 97 B 98 B ? -2.9 PHE 92 B 93 B ? -0.2 +428 GLY 94 B 95 B ? PHE 89 B 90 B ? -0.3 VAL 95 B 96 B ? -0.2 ALA 98 B 99 B ? -2.4 PHE 92 B 93 B ? -0.2 +429 VAL 95 B 96 B ? SER 91 B 92 B ? -3.0 LEU 97 B 98 B ? -0.2 HIS 99 B 100 B ? -1.8 GLY 94 B 95 B ? -0.2 +430 ALA 96 B 97 B ? PHE 92 B 93 B ? -2.2 SER 91 B 92 B ? -0.3 ILE 100 B 101 B ? -1.9 HIS 99 B 100 B ? -0.2 +431 LEU 97 B 98 B ? GLU 93 B 94 B ? -2.9 ALA 98 B 99 B ? -0.2 VAL 101 B 102 B ? -2.5 LEU 102 B 103 B ? -0.2 +432 ALA 98 B 99 B ? GLY 94 B 95 B ? -2.4 HIS 99 B 100 B ? -0.2 LEU 102 B 103 B ? -2.7 LEU 97 B 98 B ? -0.2 +433 HIS 99 B 100 B ? VAL 95 B 96 B ? -1.8 ALA 96 B 97 B ? -0.2 SER 103 B 104 B ? -2.4 ALA 98 B 99 B ? -0.2 +434 ILE 100 B 101 B ? ALA 96 B 97 B ? -1.9 LEU 102 B 103 B ? -0.2 GLY 104 B 105 B ? -2.0 ALA 98 B 99 B ? -0.2 +435 VAL 101 B 102 B ? LEU 97 B 98 B ? -2.5 SER 103 B 104 B ? -0.2 LEU 105 B 106 B ? -2.2 LEU 106 B 107 B ? -0.2 +436 LEU 102 B 103 B ? ALA 98 B 99 B ? -2.7 SER 103 B 104 B ? -0.2 LEU 106 B 107 B ? -2.6 PHE 107 B 108 B ? -0.2 +437 SER 103 B 104 B ? HIS 99 B 100 B ? -2.4 GLY 104 B 105 B ? -0.2 PHE 107 B 108 B ? -2.0 LEU 102 B 103 B ? -0.2 +438 GLY 104 B 105 B ? ILE 100 B 101 B ? -2.0 LEU 105 B 106 B ? -0.2 LEU 108 B 109 B ? -2.0 SER 103 B 104 B ? -0.2 +439 LEU 105 B 106 B ? VAL 101 B 102 B ? -2.2 LEU 106 B 107 B ? -0.2 ALA 109 B 110 B ? -2.0 GLY 104 B 105 B ? -0.2 +440 LEU 106 B 107 B ? LEU 102 B 103 B ? -2.6 PHE 107 B 108 B ? -0.2 ALA 110 B 111 B ? -2.2 LEU 105 B 106 B ? -0.2 +441 PHE 107 B 108 B ? SER 103 B 104 B ? -2.0 LEU 102 B 103 B ? -0.2 CYS 111 B 112 B ? -1.7 LEU 105 B 106 B ? -0.2 +442 LEU 108 B 109 B ? GLY 104 B 105 B ? -2.0 ALA 109 B 110 B ? -0.2 TRP 112 B 113 B ? -1.7 LEU 106 B 107 B ? -0.2 +443 ALA 109 B 110 B ? LEU 105 B 106 B ? -2.0 ALA 110 B 111 B ? -0.2 HIS 113 B 114 B ? -2.3 LEU 108 B 109 B ? -0.2 +444 ALA 110 B 111 B ? LEU 106 B 107 B ? -2.2 CYS 111 B 112 B ? -0.2 TRP 114 B 115 B ? -1.9 ALA 109 B 110 B ? -0.2 +445 CYS 111 B 112 B ? PHE 107 B 108 B ? -1.7 HIS 113 B 114 B ? -0.2 VAL 115 B 116 B ? -2.3 TYR 116 B 117 B ? -0.2 +446 TRP 112 B 113 B ? LEU 108 B 109 B ? -1.7 HIS 113 B 114 B ? -0.2 TYR 116 B 117 B ? -3.0 CYS 111 B 112 B ? -0.2 +447 HIS 113 B 114 B ? ALA 109 B 110 B ? -2.3 TRP 114 B 115 B ? -0.2 TRP 112 B 113 B ? -0.2 ALA 20 B 21 B ? -0.2 +448 TRP 114 B 115 B ? ALA 110 B 111 B ? -1.9 ALA 109 B 110 B ? -0.2 TRP 117 B 118 B ? -0.6 HIS 113 B 114 B ? -0.2 +449 VAL 115 B 116 B ? CYS 111 B 112 B ? -2.3 TYR 116 B 117 B ? -0.2 TRP 117 B 118 B ? -1.0 ASP 118 B 119 B ? -0.3 +450 TYR 116 B 117 B ? TRP 112 B 113 B ? -3.0 CYS 111 B 112 B ? -0.2 VAL 115 B 116 B ? -0.2 LEU 119 B 120 B ? -0.2 +451 TRP 117 B 118 B ? VAL 115 B 116 B ? -1.0 TRP 114 B 115 B ? -0.6 LEU 119 B 120 B ? -1.2 GLY 16 B 17 B ? -0.5 +452 ASP 118 B 119 B ? VAL 115 B 116 B ? -0.3 GLY 16 B 17 B ? -0.1 ARG 2 G 3 H ? -2.7 GLU 120 B 121 B ? -0.3 +453 LEU 119 B 120 B ? TRP 117 B 118 B ? -1.2 ALA 1 G 2 H ? -0.2 PHE 122 B 123 B ? -1.7 ARG 123 B 124 B ? -0.3 +454 GLU 120 B 121 B ? ARG 2 G 3 H ? -2.5 ASP 118 B 119 B ? -0.3 ARG 123 B 124 B ? -1.7 ARG 3 G 4 H ? -0.1 +455 LEU 121 B 122 B ? ARG 2 G 3 H ? -0.4 PHE 122 B 123 B ? -0.3 GLU 120 B 121 B ? -0.3 ARG 3 G 4 H ? -0.1 +456 PHE 122 B 123 B ? LEU 119 B 120 B ? -1.7 TRP 117 B 118 B ? -0.1 ALA 131 B 132 B ? -2.8 ASP 124 B 125 B ? -0.3 +457 ARG 123 B 124 B ? GLU 120 B 121 B ? -1.7 LEU 119 B 120 B ? -0.3 GLU 129 B 130 B ? -0.1 ASN 14 G 15 H ? -0.1 +458 ASP 124 B 125 B ? GLU 129 B 130 B ? -2.7 PHE 122 B 123 B ? -0.3 GLY 128 B 129 B ? -2.3 SER 15 G 16 H ? -0.1 +459 PRO 125 B 126 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 124 B 125 B ? -0.1 SER 15 G 16 H ? -0.1 +460 ARG 126 B 127 B ? SER 15 G 16 H ? -0.1 GLU 129 B 130 B ? -0.1 SER 15 G 16 H ? -0.0 ARG 123 B 124 B ? -0.0 +461 THR 127 B 128 B ? GLU 129 B 130 B ? -0.1 GLY 128 B 129 B ? -0.0 ARG 126 B 127 B ? -0.1 ARG 123 B 124 B ? -0.0 +462 GLY 128 B 129 B ? ASP 124 B 125 B ? -2.3 GLU 129 B 130 B ? -0.3 ALA 131 B 132 B ? -0.1 PHE 122 B 123 B ? -0.0 +463 GLU 129 B 130 B ? PRO 130 B 131 B ? -0.1 ASP 124 B 125 B ? -0.1 ASP 124 B 125 B ? -2.7 GLY 128 B 129 B ? -0.3 +464 PRO 130 B 131 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 132 B 133 B ? -0.3 ARG 123 B 124 B ? -0.3 +465 ALA 131 B 132 B ? PHE 122 B 123 B ? -2.8 ASN 14 G 15 H ? -0.1 ASP 133 B 134 B ? -0.4 TYR 17 G 18 H ? -0.1 +466 LEU 132 B 133 B ? PRO 130 B 131 B ? -0.3 GLY 231 B 232 B ? -0.2 LEU 134 B 135 B ? -1.7 ASN 14 G 15 H ? -0.1 +467 ASP 133 B 134 B ? ALA 131 B 132 B ? -0.4 LEU 134 B 135 B ? -0.2 MET 137 B 138 B ? -2.4 LYS 136 B 137 B ? -0.5 +468 LEU 134 B 135 B ? LEU 132 B 133 B ? -1.7 MET 230 B 231 B ? -0.3 PHE 138 B 139 B ? -2.2 ASP 133 B 134 B ? -0.2 +469 PRO 135 B 136 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 139 B 140 B ? -1.4 LEU 134 B 135 B ? -0.2 +470 LYS 136 B 137 B ? ASP 133 B 134 B ? -0.5 PHE 138 B 139 B ? -0.2 ILE 140 B 141 B ? -2.6 LEU 134 B 135 B ? -0.2 +471 MET 137 B 138 B ? ASP 133 B 134 B ? -2.4 PHE 138 B 139 B ? -0.2 HIS 141 B 142 B ? -2.6 LEU 142 B 143 B ? -0.2 +472 PHE 138 B 139 B ? LEU 134 B 135 B ? -2.2 ILE 140 B 141 B ? -0.2 LEU 142 B 143 B ? -2.9 PHE 143 B 144 B ? -0.2 +473 GLY 139 B 140 B ? PRO 135 B 136 B ? -1.4 HIS 215 B 216 B ? -0.5 PHE 143 B 144 B ? -2.5 ILE 216 B 217 B ? -0.2 +474 ILE 140 B 141 B ? LYS 136 B 137 B ? -2.6 HIS 141 B 142 B ? -0.2 LEU 144 B 145 B ? -2.0 PHE 138 B 139 B ? -0.2 +475 HIS 141 B 142 B ? MET 137 B 138 B ? -2.6 LEU 142 B 143 B ? -0.2 ALA 145 B 146 B ? -2.3 ILE 140 B 141 B ? -0.2 +476 LEU 142 B 143 B ? PHE 138 B 139 B ? -2.9 LEU 144 B 145 B ? -0.2 GLY 146 B 147 B ? -2.6 GLY 212 B 213 B ? -0.2 +477 PHE 143 B 144 B ? GLY 139 B 140 B ? -2.5 PHE 138 B 139 B ? -0.2 LEU 147 B 148 B ? -2.4 HIS 141 B 142 B ? -0.2 +478 LEU 144 B 145 B ? ILE 140 B 141 B ? -2.0 GLY 146 B 147 B ? -0.2 LEU 148 B 149 B ? -2.4 LEU 142 B 143 B ? -0.2 +479 ALA 145 B 146 B ? HIS 141 B 142 B ? -2.3 LEU 147 B 148 B ? -0.2 CYS 149 B 150 B ? -3.0 PHE 143 B 144 B ? -0.2 +480 GLY 146 B 147 B ? LEU 142 B 143 B ? -2.6 GLY 208 B 209 B ? -0.3 PHE 150 B 151 B ? -3.3 GLY 151 B 152 B ? -0.2 +481 LEU 147 B 148 B ? PHE 143 B 144 B ? -2.4 LEU 148 B 149 B ? -0.2 GLY 151 B 152 B ? -2.6 ALA 145 B 146 B ? -0.2 +482 LEU 148 B 149 B ? LEU 144 B 145 B ? -2.4 PHE 150 B 151 B ? -0.2 PHE 152 B 153 B ? -2.5 LEU 147 B 148 B ? -0.2 +483 CYS 149 B 150 B ? ALA 145 B 146 B ? -3.0 GLY 151 B 152 B ? -0.2 GLY 153 B 154 B ? -2.2 LEU 147 B 148 B ? -0.2 +484 PHE 150 B 151 B ? GLY 146 B 147 B ? -3.3 GLY 151 B 152 B ? -0.2 ALA 154 B 155 B ? -3.5 PHE 155 B 156 B ? -0.2 +485 GLY 151 B 152 B ? LEU 147 B 148 B ? -2.6 GLY 146 B 147 B ? -0.2 PHE 155 B 156 B ? -2.1 HIS 156 B 157 B ? -1.1 +486 PHE 152 B 153 B ? LEU 148 B 149 B ? -2.5 PHE 155 B 156 B ? -0.2 LEU 157 B 158 B ? -2.2 HIS 156 B 157 B ? -0.4 +487 GLY 153 B 154 B ? CYS 149 B 150 B ? -2.2 LEU 148 B 149 B ? -0.2 THR 158 B 159 B ? -0.8 GLY 151 B 152 B ? -0.2 +488 ALA 154 B 155 B ? PHE 150 B 151 B ? -3.5 CYS 149 B 150 B ? -0.2 LEU 160 B 161 B ? -0.3 GLY 151 B 152 B ? -0.2 +489 PHE 155 B 156 B ? GLY 151 B 152 B ? -2.1 PHE 150 B 151 B ? -0.2 PHE 161 B 162 B ? -2.0 GLY 159 B 160 B ? -0.7 +490 HIS 156 B 157 B ? GLY 151 B 152 B ? -1.1 PHE 152 B 153 B ? -0.4 GLY 164 B 165 B ? -1.9 GLY 159 B 160 B ? -0.3 +491 LEU 157 B 158 B ? PHE 152 B 153 B ? -2.2 THR 158 B 159 B ? -0.2 VAL 180 B 181 B ? -1.8 MET 165 B 166 B ? -0.3 +492 THR 158 B 159 B ? GLY 153 B 154 B ? -0.8 PHE 152 B 153 B ? -0.3 LEU 157 B 158 B ? -0.2 HIS 156 B 157 B ? -0.2 +493 GLY 159 B 160 B ? PHE 155 B 156 B ? -0.7 HIS 156 B 157 B ? -0.3 GLY 162 B 163 B ? -0.6 HIS 156 B 157 B ? -0.1 +494 LEU 160 B 161 B ? ALA 154 B 155 B ? -0.3 PHE 161 B 162 B ? -0.3 PHE 155 B 156 B ? -0.1 HIS 156 B 157 B ? -0.1 +495 PHE 161 B 162 B ? PHE 155 B 156 B ? -2.0 ALA 154 B 155 B ? -0.0 LEU 160 B 161 B ? -0.3 GLY 159 B 160 B ? -0.1 +496 GLY 162 B 163 B ? GLY 159 B 160 B ? -0.6 LEU 160 B 161 B ? -0.1 HIS 156 B 157 B ? -0.1 GLY 69 B 70 B ? -0.1 +497 PRO 163 B 164 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? MET 165 B 166 B ? -0.3 LEU 157 B 158 B ? -0.1 +498 GLY 164 B 165 B ? HIS 156 B 157 B ? -1.9 LEU 68 B 69 B ? -0.1 TRP 166 B 167 B ? -0.3 THR 158 B 159 B ? -0.1 +499 MET 165 B 166 B ? GLN 178 B 179 B ? -2.1 PRO 163 B 164 B ? -0.3 GLN 178 B 179 B ? -2.2 LEU 68 B 69 B ? -0.2 +500 TRP 166 B 167 B ? ARG 67 B 68 B ? -2.5 GLY 164 B 165 B ? -0.3 SER 168 B 169 B ? -0.3 VAL 177 B 178 B ? -0.2 +501 VAL 167 B 168 B ? SER 176 B 177 B ? -2.4 MET 165 B 166 B ? -0.1 SER 176 B 177 B ? -2.1 ASP 169 B 170 B ? -0.3 +502 SER 168 B 169 B ? TRP 166 B 167 B ? -0.3 GLY 175 B 176 B ? -0.2 GLY 175 B 176 B ? -0.1 VAL 177 B 178 B ? -0.0 +503 ASP 169 B 170 B ? VAL 167 B 168 B ? -0.3 PRO 170 B 171 B ? -0.1 GLY 172 B 173 B ? -2.0 GLY 175 B 176 B ? -0.1 +504 PRO 170 B 171 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 169 B 170 B ? -0.1 TRP 61 G 62 H ? -0.1 +505 TYR 171 B 172 B ? TRP 61 G 62 H ? -0.1 LYS 62 G 63 H ? -0.0 TYR 311 B 312 B ? -0.1 LYS 62 G 63 H ? -0.0 +506 GLY 172 B 173 B ? ASP 169 B 170 B ? -2.0 LEU 173 B 174 B ? -0.1 GLY 175 B 176 B ? -0.0 SER 168 B 169 B ? -0.0 +507 LEU 173 B 174 B ? THR 174 B 175 B ? -0.1 ASP 169 B 170 B ? -0.0 GLY 172 B 173 B ? -0.1 LYS 307 B 308 B ? -0.1 +508 THR 174 B 175 B ? SER 176 B 177 B ? -0.0 ASP 169 B 170 B ? -0.0 LEU 173 B 174 B ? -0.1 VAL 167 B 168 B ? -0.1 +509 GLY 175 B 176 B ? SER 168 B 169 B ? -0.1 ASP 169 B 170 B ? -0.1 VAL 177 B 178 B ? -0.3 SER 168 B 169 B ? -0.2 +510 SER 176 B 177 B ? VAL 167 B 168 B ? -2.1 MET 165 B 166 B ? -0.1 VAL 167 B 168 B ? -2.4 GLN 178 B 179 B ? -0.5 +511 VAL 177 B 178 B ? GLY 175 B 176 B ? -0.3 TRP 166 B 167 B ? -0.2 TRP 166 B 167 B ? -0.2 GLY 164 B 165 B ? -0.1 +512 GLN 178 B 179 B ? MET 165 B 166 B ? -2.2 SER 176 B 177 B ? -0.5 MET 165 B 166 B ? -2.1 GLY 159 B 160 B ? -0.1 +513 PRO 179 B 180 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 181 B 182 B ? -0.4 THR 158 B 159 B ? -0.2 +514 VAL 180 B 181 B ? LEU 157 B 158 B ? -1.8 PRO 194 B 195 B ? -0.1 GLY 164 B 165 B ? -0.1 GLY 159 B 160 B ? -0.0 +515 ALA 181 B 182 B ? PRO 179 B 180 B ? -0.4 PRO 182 B 183 B ? -0.1 VAL 198 B 199 B ? -0.2 ALA 199 B 200 B ? -0.2 +516 PRO 182 B 183 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TRP 184 B 185 B ? -0.6 GLY 196 B 197 B ? -0.2 +517 GLU 183 B 184 B ? GLY 195 B 196 B ? -1.6 TRP 184 B 185 B ? -0.1 ALA 199 B 200 B ? -0.1 HIS 200 B 201 B ? -0.0 +518 TRP 184 B 185 B ? PRO 182 B 183 B ? -0.6 ASP 187 B 188 B ? -0.1 GLU 183 B 184 B ? -0.1 GLY 196 B 197 B ? -0.0 +519 GLY 185 B 186 B ? PRO 186 B 187 B ? -0.0 GLY 188 B 189 B ? -0.0 GLY 188 B 189 B ? -1.7 PHE 189 B 190 B ? -0.2 +520 PRO 186 B 187 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 189 B 190 B ? -1.3 LEU 54 G 55 H ? -0.1 +521 ASP 187 B 188 B ? GLY 188 B 189 B ? -0.3 PHE 189 B 190 B ? -0.2 ASN 190 B 191 B ? -1.9 GLY 196 B 197 B ? -0.2 +522 GLY 188 B 189 B ? GLY 185 B 186 B ? -1.7 PHE 189 B 190 B ? -0.3 ASP 187 B 188 B ? -0.3 HIS 200 B 201 B ? -0.2 +523 PHE 189 B 190 B ? PRO 186 B 187 B ? -1.3 GLY 185 B 186 B ? -0.2 GLY 188 B 189 B ? -0.3 ASP 187 B 188 B ? -0.2 +524 ASN 190 B 191 B ? ASP 187 B 188 B ? -1.9 PRO 191 B 192 B ? -0.1 ASN 193 B 194 B ? -2.3 GLY 196 B 197 B ? -0.2 +525 PRO 191 B 192 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 260 B 261 B ? -2.6 THR 261 B 262 B ? -0.3 +526 TYR 192 B 193 B ? SER 259 B 260 B ? -0.3 ALA 260 B 261 B ? -0.1 GLY 195 B 196 B ? -0.1 SER 259 B 260 B ? -0.1 +527 ASN 193 B 194 B ? ASN 190 B 191 B ? -2.3 ASP 187 B 188 B ? -0.2 GLY 196 B 197 B ? -0.9 VAL 197 B 198 B ? -0.6 +528 PRO 194 B 195 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 198 B 199 B ? -1.3 VAL 197 B 198 B ? -1.2 +529 GLY 195 B 196 B ? GLY 196 B 197 B ? -0.3 VAL 197 B 198 B ? -0.2 ALA 199 B 200 B ? -2.3 GLU 183 B 184 B ? -1.6 +530 GLY 196 B 197 B ? ASN 193 B 194 B ? -0.9 ASP 187 B 188 B ? -0.2 HIS 200 B 201 B ? -2.4 GLY 195 B 196 B ? -0.3 +531 VAL 197 B 198 B ? PRO 194 B 195 B ? -1.2 ASN 193 B 194 B ? -0.6 HIS 201 B 202 B ? -1.6 GLY 195 B 196 B ? -0.2 +532 VAL 198 B 199 B ? PRO 194 B 195 B ? -1.3 ALA 181 B 182 B ? -0.2 ILE 202 B 203 B ? -2.0 GLY 196 B 197 B ? -0.2 +533 ALA 199 B 200 B ? GLY 195 B 196 B ? -2.3 HIS 200 B 201 B ? -0.2 ALA 203 B 204 B ? -2.7 ALA 204 B 205 B ? -0.3 +534 HIS 200 B 201 B ? GLY 196 B 197 B ? -2.4 HIS 201 B 202 B ? -0.2 ALA 204 B 205 B ? -3.0 GLY 205 B 206 B ? -0.3 +535 HIS 201 B 202 B ? VAL 197 B 198 B ? -1.6 ALA 203 B 204 B ? -0.2 GLY 205 B 206 B ? -2.0 HIS 200 B 201 B ? -0.2 +536 ILE 202 B 203 B ? VAL 198 B 199 B ? -2.0 ALA 204 B 205 B ? -0.2 ILE 206 B 207 B ? -1.8 HIS 200 B 201 B ? -0.2 +537 ALA 203 B 204 B ? ALA 199 B 200 B ? -2.7 ALA 204 B 205 B ? -0.2 VAL 207 B 208 B ? -2.0 HIS 201 B 202 B ? -0.2 +538 ALA 204 B 205 B ? HIS 200 B 201 B ? -3.0 ALA 199 B 200 B ? -0.3 GLY 208 B 209 B ? -2.1 ALA 203 B 204 B ? -0.2 +539 GLY 205 B 206 B ? HIS 201 B 202 B ? -2.0 HIS 200 B 201 B ? -0.3 ILE 209 B 210 B ? -2.0 ALA 204 B 205 B ? -0.2 +540 ILE 206 B 207 B ? ILE 202 B 203 B ? -1.8 VAL 207 B 208 B ? -0.2 ILE 210 B 211 B ? -2.4 ALA 204 B 205 B ? -0.2 +541 VAL 207 B 208 B ? ALA 203 B 204 B ? -2.0 GLY 208 B 209 B ? -0.2 ALA 211 B 212 B ? -3.0 GLY 212 B 213 B ? -0.3 +542 GLY 208 B 209 B ? ALA 204 B 205 B ? -2.1 ILE 210 B 211 B ? -0.2 GLY 212 B 213 B ? -2.6 GLY 146 B 147 B ? -0.3 +543 ILE 209 B 210 B ? GLY 205 B 206 B ? -2.0 ALA 211 B 212 B ? -0.2 LEU 213 B 214 B ? -2.9 VAL 207 B 208 B ? -0.2 +544 ILE 210 B 211 B ? ILE 206 B 207 B ? -2.4 GLY 212 B 213 B ? -0.2 PHE 214 B 215 B ? -2.7 GLY 208 B 209 B ? -0.2 +545 ALA 211 B 212 B ? VAL 207 B 208 B ? -3.0 LEU 213 B 214 B ? -0.2 HIS 215 B 216 B ? -2.7 ILE 210 B 211 B ? -0.2 +546 GLY 212 B 213 B ? GLY 208 B 209 B ? -2.6 VAL 207 B 208 B ? -0.3 ILE 216 B 217 B ? -1.2 ILE 210 B 211 B ? -0.2 +547 LEU 213 B 214 B ? ILE 209 B 210 B ? -2.9 PHE 214 B 215 B ? -0.2 LEU 217 B 218 B ? -2.0 ILE 216 B 217 B ? -0.6 +548 PHE 214 B 215 B ? ILE 210 B 211 B ? -2.7 HIS 215 B 216 B ? -0.2 VAL 218 B 219 B ? -2.2 LEU 213 B 214 B ? -0.2 +549 HIS 215 B 216 B ? ALA 211 B 212 B ? -2.7 ILE 216 B 217 B ? -0.2 GLY 139 B 140 B ? -0.5 PHE 214 B 215 B ? -0.2 +550 ILE 216 B 217 B ? GLY 212 B 213 B ? -1.2 LEU 213 B 214 B ? -0.6 HIS 215 B 216 B ? -0.2 PHE 214 B 215 B ? -0.2 +551 LEU 217 B 218 B ? LEU 213 B 214 B ? -2.0 GLY 212 B 213 B ? -0.2 ARG 219 B 220 B ? -0.6 HIS 215 B 216 B ? -0.2 +552 VAL 218 B 219 B ? PHE 214 B 215 B ? -2.2 LEU 213 B 214 B ? -0.2 LEU 217 B 218 B ? -0.1 ALA 21 G 22 H ? -0.1 +553 ARG 219 B 220 B ? LEU 217 B 218 B ? -0.6 PRO 220 B 221 B ? -0.1 VAL 20 G 21 H ? -0.1 GLN 222 B 223 B ? -0.1 +554 PRO 220 B 221 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 21 G 22 H ? -2.6 ARG 219 B 220 B ? -0.1 +555 PRO 221 B 222 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 225 B 226 B ? -2.8 LEU 224 B 225 B ? -0.5 +556 GLN 222 B 223 B ? ALA 21 G 22 H ? -2.5 ARG 223 B 224 B ? -0.2 LYS 226 B 227 B ? -2.5 ALA 227 B 228 B ? -0.2 +557 ARG 223 B 224 B ? GLY 23 G 24 H ? -2.1 LEU 224 B 225 B ? -0.2 ALA 227 B 228 B ? -1.8 GLN 222 B 223 B ? -0.2 +558 LEU 224 B 225 B ? PRO 221 B 222 B ? -0.5 GLY 23 G 24 H ? -0.4 LEU 228 B 229 B ? -2.4 ARG 223 B 224 B ? -0.2 +559 TYR 225 B 226 B ? PRO 221 B 222 B ? -2.8 LYS 226 B 227 B ? -0.2 MET 230 B 231 B ? -2.1 ARG 229 B 230 B ? -0.7 +560 LYS 226 B 227 B ? GLN 222 B 223 B ? -2.5 PRO 221 B 222 B ? -0.2 ARG 229 B 230 B ? -0.4 LEU 224 B 225 B ? -0.2 +561 ALA 227 B 228 B ? ARG 223 B 224 B ? -1.8 LEU 228 B 229 B ? -0.2 TYR 225 B 226 B ? -0.2 LYS 226 B 227 B ? -0.2 +562 LEU 228 B 229 B ? LEU 224 B 225 B ? -2.4 ARG 223 B 224 B ? -0.1 ALA 227 B 228 B ? -0.2 LYS 226 B 227 B ? -0.2 +563 ARG 229 B 230 B ? TYR 225 B 226 B ? -0.7 LYS 226 B 227 B ? -0.4 ASN 232 B 233 B ? -2.2 THR 235 B 236 B ? -0.4 +564 MET 230 B 231 B ? TYR 225 B 226 B ? -2.1 GLY 231 B 232 B ? -0.3 LEU 134 B 135 B ? -0.3 GLY 18 G 19 H ? -0.1 +565 GLY 231 B 232 B ? TYR 225 B 226 B ? -0.4 ASN 232 B 233 B ? -0.1 ILE 233 B 234 B ? -0.6 MET 230 B 231 B ? -0.3 +566 ASN 232 B 233 B ? ARG 229 B 230 B ? -2.2 ILE 233 B 234 B ? -0.1 THR 235 B 236 B ? -2.6 VAL 236 B 237 B ? -0.6 +567 ILE 233 B 234 B ? GLY 231 B 232 B ? -0.6 GLU 234 B 235 B ? -0.3 LEU 237 B 238 B ? -1.4 VAL 236 B 237 B ? -0.4 +568 GLU 234 B 235 B ? THR 235 B 236 B ? -0.2 VAL 236 B 237 B ? -0.2 SER 238 B 239 B ? -2.4 ILE 233 B 234 B ? -0.3 +569 THR 235 B 236 B ? ASN 232 B 233 B ? -2.6 ARG 229 B 230 B ? -0.4 SER 239 B 240 B ? -2.4 GLU 234 B 235 B ? -0.2 +570 VAL 236 B 237 B ? ASN 232 B 233 B ? -0.6 ILE 233 B 234 B ? -0.4 SER 240 B 241 B ? -3.0 ILE 241 B 242 B ? -0.2 +571 LEU 237 B 238 B ? ILE 233 B 234 B ? -1.4 SER 239 B 240 B ? -0.2 ILE 241 B 242 B ? -2.7 ALA 242 B 243 B ? -0.2 +572 SER 238 B 239 B ? GLU 234 B 235 B ? -2.4 HIS 468 B 469 B ? -0.2 ALA 242 B 243 B ? -1.8 VAL 236 B 237 B ? -0.2 +573 SER 239 B 240 B ? THR 235 B 236 B ? -2.4 SER 240 B 241 B ? -0.2 ALA 243 B 244 B ? -2.0 SER 238 B 239 B ? -0.2 +574 SER 240 B 241 B ? VAL 236 B 237 B ? -3.0 THR 235 B 236 B ? -0.2 VAL 244 B 245 B ? -2.3 SER 239 B 240 B ? -0.2 +575 ILE 241 B 242 B ? LEU 237 B 238 B ? -2.7 VAL 236 B 237 B ? -0.2 PHE 245 B 246 B ? -2.0 PHE 246 B 247 B ? -0.2 +576 ALA 242 B 243 B ? SER 238 B 239 B ? -1.8 LEU 237 B 238 B ? -0.2 PHE 246 B 247 B ? -1.8 SER 240 B 241 B ? -0.2 +577 ALA 243 B 244 B ? SER 239 B 240 B ? -2.0 VAL 244 B 245 B ? -0.2 ALA 247 B 248 B ? -2.5 ALA 242 B 243 B ? -0.2 +578 VAL 244 B 245 B ? SER 240 B 241 B ? -2.3 PHE 246 B 247 B ? -0.2 ALA 248 B 249 B ? -2.5 ALA 242 B 243 B ? -0.2 +579 PHE 245 B 246 B ? ILE 241 B 242 B ? -2.0 ALA 247 B 248 B ? -0.2 PHE 249 B 250 B ? -2.5 VAL 244 B 245 B ? -0.2 +580 PHE 246 B 247 B ? ALA 242 B 243 B ? -1.8 ILE 241 B 242 B ? -0.2 VAL 250 B 251 B ? -2.0 VAL 244 B 245 B ? -0.2 +581 ALA 247 B 248 B ? ALA 243 B 244 B ? -2.5 ALA 248 B 249 B ? -0.2 VAL 251 B 252 B ? -2.6 ALA 252 B 253 B ? -0.3 +582 ALA 248 B 249 B ? VAL 244 B 245 B ? -2.5 PHE 249 B 250 B ? -0.2 ALA 252 B 253 B ? -1.9 ALA 247 B 248 B ? -0.2 +583 PHE 249 B 250 B ? PHE 245 B 246 B ? -2.5 VAL 251 B 252 B ? -0.2 GLY 253 B 254 B ? -2.7 ALA 248 B 249 B ? -0.2 +584 VAL 250 B 251 B ? PHE 246 B 247 B ? -2.0 VAL 251 B 252 B ? -0.2 THR 254 B 255 B ? -2.6 MET 255 B 256 B ? -0.2 +585 VAL 251 B 252 B ? ALA 247 B 248 B ? -2.6 GLY 253 B 254 B ? -0.2 MET 255 B 256 B ? -1.7 VAL 250 B 251 B ? -0.2 +586 ALA 252 B 253 B ? ALA 248 B 249 B ? -1.9 ALA 247 B 248 B ? -0.3 TRP 256 B 257 B ? -1.5 VAL 251 B 252 B ? -0.2 +587 GLY 253 B 254 B ? PHE 249 B 250 B ? -2.7 MET 255 B 256 B ? -0.2 TYR 257 B 258 B ? -2.7 GLY 258 B 259 B ? -0.4 +588 THR 254 B 255 B ? VAL 250 B 251 B ? -2.6 MET 255 B 256 B ? -0.2 GLY 258 B 259 B ? -1.9 GLY 253 B 254 B ? -0.2 +589 MET 255 B 256 B ? VAL 251 B 252 B ? -1.7 VAL 250 B 251 B ? -0.2 THR 254 B 255 B ? -0.2 GLY 253 B 254 B ? -0.2 +590 TRP 256 B 257 B ? ALA 252 B 253 B ? -1.5 TYR 257 B 258 B ? -0.1 ARG 271 B 272 B ? -0.3 TYR 272 B 273 B ? -0.3 +591 TYR 257 B 258 B ? GLY 253 B 254 B ? -2.7 ALA 252 B 253 B ? -0.1 THR 254 B 255 B ? -0.2 MET 255 B 256 B ? -0.2 +592 GLY 258 B 259 B ? THR 254 B 255 B ? -1.9 GLY 253 B 254 B ? -0.4 ALA 260 B 261 B ? -0.3 MET 255 B 256 B ? -0.1 +593 SER 259 B 260 B ? THR 262 B 263 B ? -0.2 MET 255 B 256 B ? -0.1 THR 262 B 263 B ? -1.9 TYR 192 B 193 B ? -0.3 +594 ALA 260 B 261 B ? PRO 191 B 192 B ? -2.6 THR 261 B 262 B ? -0.3 TYR 192 B 193 B ? -0.1 ASN 190 B 191 B ? -0.0 +595 THR 261 B 262 B ? PRO 191 B 192 B ? -0.3 THR 262 B 263 B ? -0.2 ALA 260 B 261 B ? -0.3 TRP 166 B 167 B ? -0.1 +596 THR 262 B 263 B ? SER 259 B 260 B ? -1.9 THR 254 B 255 B ? -0.1 SER 259 B 260 B ? -0.2 THR 261 B 262 B ? -0.2 +597 PRO 263 B 264 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 267 B 268 B ? -1.8 LEU 266 B 267 B ? -1.0 +598 ILE 264 B 265 B ? GLU 265 B 266 B ? -0.3 LEU 266 B 267 B ? -0.2 GLY 268 B 269 B ? -1.6 TRP 55 B 56 B ? -0.1 +599 GLU 265 B 266 B ? LEU 266 B 267 B ? -0.2 PHE 267 B 268 B ? -0.2 TRP 55 B 56 B ? -0.3 ILE 264 B 265 B ? -0.3 +600 LEU 266 B 267 B ? PRO 263 B 264 B ? -1.0 GLY 268 B 269 B ? -0.2 ILE 264 B 265 B ? -0.2 GLU 265 B 266 B ? -0.2 +601 PHE 267 B 268 B ? PRO 263 B 264 B ? -1.8 GLY 268 B 269 B ? -0.2 ARG 447 B 448 B ? -1.2 GLY 448 B 449 B ? -0.2 +602 GLY 268 B 269 B ? ILE 264 B 265 B ? -1.6 PRO 263 B 264 B ? -0.3 PHE 267 B 268 B ? -0.2 LEU 266 B 267 B ? -0.2 +603 PRO 269 B 270 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 271 B 272 B ? -0.2 SER 445 B 446 B ? -0.1 +604 THR 270 B 271 B ? ASN 317 B 318 B ? -0.1 TYR 257 B 258 B ? -0.1 TRP 274 B 275 B ? -0.6 GLN 273 B 274 B ? -0.6 +605 ARG 271 B 272 B ? TRP 256 B 257 B ? -0.3 TYR 272 B 273 B ? -0.2 ASP 275 B 276 B ? -2.2 TRP 274 B 275 B ? -1.0 +606 TYR 272 B 273 B ? TRP 256 B 257 B ? -0.3 GLN 273 B 274 B ? -0.3 SER 276 B 277 B ? -2.1 TYR 278 B 279 B ? -0.2 +607 GLN 273 B 274 B ? THR 270 B 271 B ? -0.6 TRP 274 B 275 B ? -0.2 TYR 278 B 279 B ? -2.1 PHE 279 B 280 B ? -0.5 +608 TRP 274 B 275 B ? ARG 271 B 272 B ? -1.0 THR 270 B 271 B ? -0.6 SER 277 B 278 B ? -1.2 TYR 272 B 273 B ? -0.2 +609 ASP 275 B 276 B ? ARG 271 B 272 B ? -2.2 SER 276 B 277 B ? -0.3 GLN 273 B 274 B ? -0.2 TYR 272 B 273 B ? -0.2 +610 SER 276 B 277 B ? TYR 272 B 273 B ? -2.1 ARG 271 B 272 B ? -0.1 ASP 275 B 276 B ? -0.3 TRP 274 B 275 B ? -0.2 +611 SER 277 B 278 B ? TRP 274 B 275 B ? -1.2 GLN 273 B 274 B ? -0.2 GLN 281 B 282 B ? -2.4 TRP 274 B 275 B ? -0.2 +612 TYR 278 B 279 B ? GLN 273 B 274 B ? -2.1 TYR 272 B 273 B ? -0.2 GLU 282 B 283 B ? -1.3 TRP 274 B 275 B ? -0.1 +613 PHE 279 B 280 B ? GLN 273 B 274 B ? -0.5 GLN 280 B 281 B ? -0.2 ILE 283 B 284 B ? -2.4 TYR 278 B 279 B ? -0.2 +614 GLN 280 B 281 B ? GLN 281 B 282 B ? -0.2 GLU 282 B 283 B ? -0.2 ASN 284 B 285 B ? -2.3 PHE 279 B 280 B ? -0.2 +615 GLN 281 B 282 B ? SER 277 B 278 B ? -2.4 ILE 283 B 284 B ? -0.2 ARG 285 B 286 B ? -2.5 GLN 280 B 281 B ? -0.2 +616 GLU 282 B 283 B ? TYR 278 B 279 B ? -1.3 ASN 284 B 285 B ? -0.2 ARG 286 B 287 B ? -2.4 GLN 280 B 281 B ? -0.2 +617 ILE 283 B 284 B ? PHE 279 B 280 B ? -2.4 ARG 285 B 286 B ? -0.2 VAL 287 B 288 B ? -2.4 GLN 281 B 282 B ? -0.2 +618 ASN 284 B 285 B ? GLN 280 B 281 B ? -2.3 ARG 286 B 287 B ? -0.2 GLN 288 B 289 B ? -2.4 GLU 282 B 283 B ? -0.2 +619 ARG 285 B 286 B ? GLN 281 B 282 B ? -2.5 VAL 287 B 288 B ? -0.2 ALA 289 B 290 B ? -2.1 ILE 283 B 284 B ? -0.2 +620 ARG 286 B 287 B ? GLU 282 B 283 B ? -2.4 VAL 287 B 288 B ? -0.2 SER 290 B 291 B ? -2.0 ASN 284 B 285 B ? -0.2 +621 VAL 287 B 288 B ? ILE 283 B 284 B ? -2.4 GLN 288 B 289 B ? -0.2 LEU 291 B 292 B ? -2.7 ARG 286 B 287 B ? -0.2 +622 GLN 288 B 289 B ? ASN 284 B 285 B ? -2.4 SER 290 B 291 B ? -0.2 ALA 292 B 293 B ? -3.2 VAL 287 B 288 B ? -0.2 +623 ALA 289 B 290 B ? ARG 285 B 286 B ? -2.1 SER 290 B 291 B ? -0.2 SER 293 B 294 B ? -0.9 VAL 287 B 288 B ? -0.2 +624 SER 290 B 291 B ? ARG 286 B 287 B ? -2.0 ALA 292 B 293 B ? -0.2 ALA 295 B 296 B ? -1.9 SER 293 B 294 B ? -0.6 +625 LEU 291 B 292 B ? VAL 287 B 288 B ? -2.7 ALA 292 B 293 B ? -0.2 GLY 294 B 295 B ? -2.2 ALA 289 B 290 B ? -0.2 +626 ALA 292 B 293 B ? GLN 288 B 289 B ? -3.2 SER 293 B 294 B ? -0.3 LEU 291 B 292 B ? -0.2 SER 290 B 291 B ? -0.2 +627 SER 293 B 294 B ? ALA 289 B 290 B ? -0.9 SER 290 B 291 B ? -0.6 ALA 292 B 293 B ? -0.3 LEU 291 B 292 B ? -0.2 +628 GLY 294 B 295 B ? LEU 291 B 292 B ? -2.2 ALA 295 B 296 B ? -0.2 LEU 291 B 292 B ? -0.2 ALA 292 B 293 B ? -0.1 +629 ALA 295 B 296 B ? SER 290 B 291 B ? -1.9 THR 296 B 297 B ? -0.1 GLY 294 B 295 B ? -0.2 LEU 297 B 298 B ? -0.1 +630 THR 296 B 297 B ? LEU 297 B 298 B ? -0.1 ALA 300 B 301 B ? -0.0 ALA 300 B 301 B ? -2.8 TRP 301 B 302 B ? -0.2 +631 LEU 297 B 298 B ? GLU 298 B 299 B ? -0.2 GLU 299 B 300 B ? -0.2 TRP 301 B 302 B ? -2.0 SER 302 B 303 B ? -0.2 +632 GLU 298 B 299 B ? ALA 300 B 301 B ? -0.2 GLU 299 B 300 B ? -0.2 SER 302 B 303 B ? -1.9 LEU 297 B 298 B ? -0.2 +633 GLU 299 B 300 B ? TRP 301 B 302 B ? -0.2 ALA 300 B 301 B ? -0.2 ALA 303 B 304 B ? -1.4 LEU 297 B 298 B ? -0.2 +634 ALA 300 B 301 B ? THR 296 B 297 B ? -2.8 TRP 301 B 302 B ? -0.2 ALA 303 B 304 B ? -0.3 ILE 304 B 305 B ? -0.2 +635 TRP 301 B 302 B ? LEU 297 B 298 B ? -2.0 SER 302 B 303 B ? -0.2 ILE 304 B 305 B ? -1.1 GLY 403 B 404 B ? -0.2 +636 SER 302 B 303 B ? GLU 298 B 299 B ? -1.9 ALA 303 B 304 B ? -0.2 TRP 301 B 302 B ? -0.2 ALA 300 B 301 B ? -0.2 +637 ALA 303 B 304 B ? GLU 299 B 300 B ? -1.4 ALA 300 B 301 B ? -0.3 SER 302 B 303 B ? -0.2 TRP 301 B 302 B ? -0.2 +638 ILE 304 B 305 B ? TRP 301 B 302 B ? -1.1 ALA 300 B 301 B ? -0.2 GLY 403 B 404 B ? -0.2 GLU 306 B 307 B ? -0.1 +639 PRO 305 B 306 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 309 B 310 B ? -1.7 LEU 308 B 309 B ? -0.2 +640 GLU 306 B 307 B ? LYS 307 B 308 B ? -0.2 LEU 308 B 309 B ? -0.2 PHE 310 B 311 B ? -1.9 TYR 311 B 312 B ? -0.1 +641 LYS 307 B 308 B ? ALA 309 B 310 B ? -0.2 LEU 308 B 309 B ? -0.2 TYR 311 B 312 B ? -1.1 GLU 306 B 307 B ? -0.2 +642 LEU 308 B 309 B ? PRO 305 B 306 B ? -0.2 ALA 309 B 310 B ? -0.2 ASP 312 B 313 B ? -0.7 TYR 311 B 312 B ? -0.3 +643 ALA 309 B 310 B ? PRO 305 B 306 B ? -1.7 PHE 310 B 311 B ? -0.2 ASP 312 B 313 B ? -0.9 GLU 427 B 428 B ? -0.3 +644 PHE 310 B 311 B ? GLU 306 B 307 B ? -1.9 TYR 311 B 312 B ? -0.3 TYR 313 B 314 B ? -0.4 ALA 309 B 310 B ? -0.2 +645 TYR 311 B 312 B ? LYS 307 B 308 B ? -1.1 LEU 308 B 309 B ? -0.3 TYR 313 B 314 B ? -0.7 PHE 310 B 311 B ? -0.3 +646 ASP 312 B 313 B ? ALA 309 B 310 B ? -0.9 LEU 308 B 309 B ? -0.7 GLU 427 B 428 B ? -2.3 ILE 314 B 315 B ? -0.4 +647 TYR 313 B 314 B ? TYR 311 B 312 B ? -0.7 PHE 310 B 311 B ? -0.4 ASN 316 B 317 B ? -2.2 GLY 426 B 427 B ? -0.2 +648 ILE 314 B 315 B ? PHE 425 B 426 B ? -2.7 ASP 312 B 313 B ? -0.4 ASN 317 B 318 B ? -1.7 ALA 319 B 320 B ? -0.1 +649 GLY 315 B 316 B ? PHE 425 B 426 B ? -0.3 ASN 316 B 317 B ? -0.3 ILE 314 B 315 B ? -0.3 ARG 443 B 444 B ? -0.3 +650 ASN 316 B 317 B ? TYR 313 B 314 B ? -2.2 PHE 310 B 311 B ? -0.1 GLY 315 B 316 B ? -0.3 ILE 314 B 315 B ? -0.2 +651 ASN 317 B 318 B ? ILE 314 B 315 B ? -1.7 TYR 313 B 314 B ? -0.2 LYS 320 B 321 B ? -1.0 THR 270 B 271 B ? -0.1 +652 PRO 318 B 319 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 321 B 322 B ? -0.4 ASN 317 B 318 B ? -0.1 +653 ALA 319 B 320 B ? LYS 320 B 321 B ? -0.2 ILE 314 B 315 B ? -0.1 THR 444 B 445 B ? -0.1 ASN 317 B 318 B ? -0.0 +654 LYS 320 B 321 B ? ASN 317 B 318 B ? -1.0 ARG 443 B 444 B ? -0.1 ALA 319 B 320 B ? -0.2 PHE 442 B 443 B ? -0.1 +655 GLY 321 B 322 B ? PRO 318 B 319 B ? -0.4 LEU 281 D 291 D ? -0.4 ARG 284 D 294 D ? -0.6 LEU 323 B 324 B ? -0.3 +656 GLY 322 B 323 B ? ARG 325 B 326 B ? -0.4 LEU 283 D 293 D ? -0.2 ARG 325 B 326 B ? -1.3 THR 444 B 445 B ? -0.3 +657 LEU 323 B 324 B ? ARG 284 D 294 D ? -1.6 GLY 321 B 322 B ? -0.3 SER 285 D 295 D ? -0.2 GLY 322 B 323 B ? -0.1 +658 PHE 324 B 325 B ? ARG 284 D 294 D ? -0.5 ASP 287 D 297 D ? -0.1 THR 326 B 327 B ? -1.0 LEU 323 B 324 B ? -0.3 +659 ARG 325 B 326 B ? GLY 322 B 323 B ? -1.3 PHE 442 B 443 B ? -0.1 GLY 322 B 323 B ? -0.4 THR 444 B 445 B ? -0.3 +660 THR 326 B 327 B ? PHE 324 B 325 B ? -1.0 ARG 443 B 444 B ? -0.1 PHE 324 B 325 B ? -0.1 LYS 331 B 332 B ? -0.1 +661 GLY 327 B 328 B ? GLY 58 B 59 B ? -0.1 ARG 325 B 326 B ? -0.1 GLY 58 B 59 B ? -0.2 THR 444 B 445 B ? -0.1 +662 PRO 328 B 329 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 331 B 332 B ? -1.2 GLY 332 B 333 B ? -0.3 +663 MET 329 B 330 B ? ARG 56 B 57 B ? -0.5 ASN 330 B 331 B ? -0.3 GLY 332 B 333 B ? -1.9 ASP 333 B 334 B ? -0.9 +664 ASN 330 B 331 B ? ARG 56 B 57 B ? -1.8 LYS 331 B 332 B ? -0.3 GLY 334 B 335 B ? -0.3 MET 329 B 330 B ? -0.3 +665 LYS 331 B 332 B ? PRO 328 B 329 B ? -1.2 SER 438 B 439 B ? -0.1 ASP 439 B 440 B ? -1.9 GLY 440 B 441 B ? -0.3 +666 GLY 332 B 333 B ? MET 329 B 330 B ? -1.9 PRO 328 B 329 B ? -0.3 GLY 440 B 441 B ? -2.6 PHE 442 B 443 B ? -0.2 +667 ASP 333 B 334 B ? MET 329 B 330 B ? -0.9 GLY 334 B 335 B ? -0.3 ILE 335 B 336 B ? -0.2 ASN 330 B 331 B ? -0.2 +668 GLY 334 B 335 B ? MET 329 B 330 B ? -0.6 ASN 330 B 331 B ? -0.3 ALA 336 B 337 B ? -0.8 ASP 333 B 334 B ? -0.3 +669 ILE 335 B 336 B ? ASP 432 B 433 B ? -2.6 ASP 333 B 334 B ? -0.2 ASP 432 B 433 B ? -2.5 ASN 52 B 53 B ? -0.1 +670 ALA 336 B 337 B ? GLY 334 B 335 B ? -0.8 LEU 51 B 52 B ? -0.4 PHE 431 B 432 B ? -0.3 LEU 51 B 52 B ? -0.1 +671 GLN 337 B 338 B ? GLU 430 B 431 B ? -3.4 ALA 338 B 339 B ? -0.4 TRP 339 B 340 B ? -0.3 PHE 431 B 432 B ? -0.2 +672 ALA 338 B 339 B ? GLU 430 B 431 B ? -1.2 LEU 51 B 52 B ? -0.1 GLU 430 B 431 B ? -3.0 LYS 340 B 341 B ? -0.4 +673 TRP 339 B 340 B ? GLN 337 B 338 B ? -0.3 PHE 429 B 430 B ? -0.2 GLU 404 B 405 B ? -2.3 PHE 429 B 430 B ? -0.2 +674 LYS 340 B 341 B ? ILE 428 B 429 B ? -2.3 ALA 338 B 339 B ? -0.4 LEU 405 B 406 B ? -2.6 HIS 342 B 343 B ? -0.2 +675 GLY 341 B 342 B ? ILE 428 B 429 B ? -0.7 GLY 403 B 404 B ? -0.2 ILE 428 B 429 B ? -0.6 ALA 343 B 344 B ? -0.4 +676 HIS 342 B 343 B ? TYR 401 B 402 B ? -2.9 LYS 340 B 341 B ? -0.2 TYR 401 B 402 B ? -2.1 VAL 344 B 345 B ? -0.4 +677 ALA 343 B 344 B ? GLY 341 B 342 B ? -0.4 PHE 400 B 401 B ? -0.2 PHE 345 B 346 B ? -0.5 PHE 400 B 401 B ? -0.2 +678 VAL 344 B 345 B ? SER 399 B 400 B ? -2.4 HIS 342 B 343 B ? -0.4 SER 399 B 400 B ? -2.6 ARG 346 B 347 B ? -0.4 +679 PHE 345 B 346 B ? LEU 353 B 354 B ? -0.9 ALA 343 B 344 B ? -0.5 LEU 353 B 354 B ? -3.3 ASN 347 B 348 B ? -0.3 +680 ARG 346 B 347 B ? THR 397 B 398 B ? -1.9 VAL 344 B 345 B ? -0.4 THR 397 B 398 B ? -2.8 GLU 352 B 353 B ? -0.2 +681 ASN 347 B 348 B ? GLU 351 B 352 B ? -1.7 PHE 345 B 346 B ? -0.3 GLY 350 B 351 B ? -1.9 GLY 395 B 396 B ? -0.2 +682 LYS 348 B 349 B ? GLN 394 B 395 B ? -2.1 GLU 349 B 350 B ? -0.3 GLY 395 B 396 B ? -0.1 VAL 396 B 397 B ? -0.1 +683 GLU 349 B 350 B ? GLN 394 B 395 B ? -0.2 GLU 351 B 352 B ? -0.1 LYS 348 B 349 B ? -0.3 GLU 352 B 353 B ? -0.1 +684 GLY 350 B 351 B ? ASN 347 B 348 B ? -1.9 GLU 351 B 352 B ? -0.3 LYS 348 B 349 B ? -0.1 GLU 352 B 353 B ? -0.1 +685 GLU 351 B 352 B ? GLU 352 B 353 B ? -0.1 ARG 346 B 347 B ? -0.1 ASN 347 B 348 B ? -1.7 GLY 350 B 351 B ? -0.3 +686 GLU 352 B 353 B ? ARG 346 B 347 B ? -0.2 GLY 350 B 351 B ? -0.1 LYS 372 B 373 B ? -0.4 PHE 354 B 355 B ? -0.3 +687 LEU 353 B 354 B ? PHE 345 B 346 B ? -3.3 GLU 351 B 352 B ? -0.2 PHE 345 B 346 B ? -0.9 VAL 355 B 356 B ? -0.4 +688 PHE 354 B 355 B ? THR 370 B 371 B ? -3.1 GLU 352 B 353 B ? -0.3 THR 370 B 371 B ? -2.6 ARG 356 B 357 B ? -0.4 +689 VAL 355 B 356 B ? LEU 353 B 354 B ? -0.4 LEU 369 B 370 B ? -0.2 ARG 357 B 358 B ? -0.5 LEU 369 B 370 B ? -0.2 +690 ARG 356 B 357 B ? ILE 368 B 369 B ? -2.9 PHE 354 B 355 B ? -0.4 ILE 368 B 369 B ? -0.3 MET 358 B 359 B ? -0.1 +691 ARG 357 B 358 B ? VAL 355 B 356 B ? -0.5 MET 358 B 359 B ? -0.1 PHE 425 B 426 B ? -0.2 ILE 424 B 425 B ? -0.1 +692 MET 358 B 359 B ? ILE 424 B 425 B ? -2.7 PHE 365 B 366 B ? -0.1 ALA 360 B 361 B ? -0.1 ARG 357 B 358 B ? -0.1 +693 PRO 359 B 360 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 362 B 363 B ? -1.8 MET 358 B 359 B ? -0.1 +694 ALA 360 B 361 B ? PHE 361 B 362 B ? -0.3 MET 358 B 359 B ? -0.1 MET 358 B 359 B ? -0.0 ARG 271 B 272 B ? -0.0 +695 PHE 361 B 362 B ? PHE 362 B 363 B ? -0.1 GLU 363 B 364 B ? -0.0 GLU 363 B 364 B ? -0.5 ALA 360 B 361 B ? -0.3 +696 PHE 362 B 363 B ? PRO 359 B 360 B ? -1.8 GLU 363 B 364 B ? -0.1 PHE 365 B 366 B ? -0.1 PHE 178 D 188 D ? -0.1 +697 GLU 363 B 364 B ? PHE 361 B 362 B ? -0.5 PHE 178 D 188 D ? -0.2 PHE 365 B 366 B ? -0.3 PHE 362 B 363 B ? -0.1 +698 SER 364 B 365 B ? PHE 361 B 362 B ? -0.1 GLU 313 D 323 D ? -0.0 GLU 363 B 364 B ? -0.2 ALA 170 M 173 O ? -0.0 +699 PHE 365 B 366 B ? GLU 363 B 364 B ? -0.3 PHE 362 B 363 B ? -0.1 MET 358 B 359 B ? -0.1 ILE 424 B 425 B ? -0.1 +700 PRO 366 B 367 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 368 B 369 B ? -0.7 VAL 335 D 345 D ? -0.0 +701 VAL 367 B 368 B ? ILE 380 B 381 B ? -0.3 VAL 355 B 356 B ? -0.1 ILE 380 B 381 B ? -1.6 LEU 369 B 370 B ? -0.4 +702 ILE 368 B 369 B ? PRO 366 B 367 B ? -0.7 ARG 356 B 357 B ? -0.3 ARG 356 B 357 B ? -2.9 THR 370 B 371 B ? -0.5 +703 LEU 369 B 370 B ? ALA 378 B 379 B ? -3.4 VAL 367 B 368 B ? -0.4 LYS 377 B 378 B ? -3.0 ALA 378 B 379 B ? -1.8 +704 THR 370 B 371 B ? PHE 354 B 355 B ? -2.6 ILE 368 B 369 B ? -0.5 PHE 354 B 355 B ? -3.1 VAL 376 B 377 B ? -0.2 +705 ASP 371 B 372 B ? VAL 375 B 376 B ? -2.1 LEU 369 B 370 B ? -0.3 GLY 374 B 375 B ? -2.6 LEU 353 B 354 B ? -0.1 +706 LYS 372 B 373 B ? GLU 352 B 353 B ? -0.4 ASN 373 B 374 B ? -0.3 LEU 353 B 354 B ? -0.1 ASP 371 B 372 B ? -0.0 +707 ASN 373 B 374 B ? VAL 375 B 376 B ? -0.1 GLY 374 B 375 B ? -0.0 LYS 372 B 373 B ? -0.3 ? ? ? ? ? ? ? +708 GLY 374 B 375 B ? ASP 371 B 372 B ? -2.6 VAL 375 B 376 B ? -0.3 VAL 376 B 377 B ? -0.4 LYS 372 B 373 B ? -0.1 +709 VAL 375 B 376 B ? VAL 376 B 377 B ? -0.1 LYS 377 B 378 B ? -0.0 ASP 371 B 372 B ? -2.1 GLY 374 B 375 B ? -0.3 +710 VAL 376 B 377 B ? GLY 374 B 375 B ? -0.4 THR 370 B 371 B ? -0.2 THR 370 B 371 B ? -0.3 ASP 379 B 380 B ? -0.1 +711 LYS 377 B 378 B ? LEU 369 B 370 B ? -3.0 ALA 378 B 379 B ? -0.4 ASP 379 B 380 B ? -0.3 THR 370 B 371 B ? -0.2 +712 ALA 378 B 379 B ? LEU 369 B 370 B ? -1.8 ASN 347 B 348 B ? -0.0 LEU 369 B 370 B ? -3.4 LYS 377 B 378 B ? -0.4 +713 ASP 379 B 380 B ? TYR 389 B 390 B ? -2.3 LYS 377 B 378 B ? -0.3 PHE 391 B 392 B ? -0.4 ILE 368 B 369 B ? -0.2 +714 ILE 380 B 381 B ? VAL 367 B 368 B ? -1.6 ALA 378 B 379 B ? -0.3 VAL 367 B 368 B ? -0.3 SER 390 B 391 B ? -0.1 +715 PRO 381 B 382 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 335 D 345 D ? -0.3 ARG 384 B 385 B ? -0.2 +716 PHE 382 B 383 B ? GLU 334 D 344 D ? -4.2 ARG 383 B 384 B ? -0.4 ARG 384 B 385 B ? -0.6 VAL 335 D 345 D ? -0.2 +717 ARG 383 B 384 B ? GLU 334 D 344 D ? -0.8 LEU 336 D 346 D ? -0.3 GLU 386 B 387 B ? -0.5 PHE 382 B 383 B ? -0.4 +718 ARG 384 B 385 B ? ALA 162 M 165 O ? -2.4 PHE 382 B 383 B ? -0.6 SER 387 B 388 B ? -1.9 ARG 383 B 384 B ? -0.1 +719 ALA 385 B 386 B ? ALA 162 M 165 O ? -0.5 GLU 386 B 387 B ? -0.3 ARG 384 B 385 B ? -0.2 ASN 23 P 31 U ? -0.1 +720 GLU 386 B 387 B ? ARG 383 B 384 B ? -0.5 GLU 334 D 344 D ? -0.1 ALA 385 B 386 B ? -0.3 LYS 388 B 389 B ? -0.2 +721 SER 387 B 388 B ? ARG 384 B 385 B ? -1.9 LYS 388 B 389 B ? -0.1 ARG 384 B 385 B ? -0.1 VAL 335 D 345 D ? -0.0 +722 LYS 388 B 389 B ? GLU 386 B 387 B ? -0.2 GLN 394 B 395 B ? -0.0 SER 387 B 388 B ? -0.1 ARG 384 B 385 B ? -0.0 +723 TYR 389 B 390 B ? GLN 393 B 394 B ? -0.1 ALA 378 B 379 B ? -0.0 ASP 379 B 380 B ? -2.3 LYS 377 B 378 B ? -0.1 +724 SER 390 B 391 B ? ALA 378 B 379 B ? -0.2 PHE 391 B 392 B ? -0.1 GLN 394 B 395 B ? -1.9 ILE 380 B 381 B ? -0.2 +725 PHE 391 B 392 B ? ASP 379 B 380 B ? -0.4 GLU 392 B 393 B ? -0.2 VAL 396 B 397 B ? -1.7 GLY 395 B 396 B ? -0.8 +726 GLU 392 B 393 B ? GLN 393 B 394 B ? -0.2 GLN 394 B 395 B ? -0.2 GLY 395 B 396 B ? -0.3 PHE 391 B 392 B ? -0.2 +727 GLN 393 B 394 B ? GLN 394 B 395 B ? -0.2 GLY 395 B 396 B ? -0.1 PHE 391 B 392 B ? -0.2 GLU 392 B 393 B ? -0.2 +728 GLN 394 B 395 B ? SER 390 B 391 B ? -1.9 TYR 389 B 390 B ? -0.1 LYS 348 B 349 B ? -2.1 GLU 349 B 350 B ? -0.2 +729 GLY 395 B 396 B ? PHE 391 B 392 B ? -0.8 GLU 392 B 393 B ? -0.3 THR 397 B 398 B ? -0.3 GLU 392 B 393 B ? -0.2 +730 VAL 396 B 397 B ? PHE 391 B 392 B ? -1.7 ASN 347 B 348 B ? -0.1 VAL 398 B 399 B ? -0.3 ASN 347 B 348 B ? -0.2 +731 THR 397 B 398 B ? ARG 346 B 347 B ? -2.8 GLY 395 B 396 B ? -0.3 ARG 346 B 347 B ? -1.9 SER 399 B 400 B ? -0.4 +732 VAL 398 B 399 B ? PHE 410 B 411 B ? -2.0 VAL 396 B 397 B ? -0.3 PHE 410 B 411 B ? -3.0 PHE 400 B 401 B ? -0.4 +733 SER 399 B 400 B ? VAL 344 B 345 B ? -2.6 THR 397 B 398 B ? -0.4 VAL 344 B 345 B ? -2.4 TYR 401 B 402 B ? -0.4 +734 PHE 400 B 401 B ? GLN 408 B 409 B ? -2.6 LEU 405 B 406 B ? -0.4 GLY 407 B 408 B ? -2.6 GLY 402 B 403 B ? -0.4 +735 TYR 401 B 402 B ? HIS 342 B 343 B ? -2.1 SER 399 B 400 B ? -0.4 HIS 342 B 343 B ? -2.9 ASN 406 B 407 B ? -0.1 +736 GLY 402 B 403 B ? PHE 400 B 401 B ? -0.4 GLY 341 B 342 B ? -0.2 LEU 405 B 406 B ? -0.4 ASN 406 B 407 B ? -0.2 +737 GLY 403 B 404 B ? TRP 301 B 302 B ? -0.2 ILE 304 B 305 B ? -0.2 ASN 406 B 407 B ? -1.3 LYS 340 B 341 B ? -0.3 +738 GLU 404 B 405 B ? TRP 339 B 340 B ? -2.3 LEU 405 B 406 B ? -0.3 GLY 403 B 404 B ? -0.2 GLY 341 B 342 B ? -0.2 +739 LEU 405 B 406 B ? LYS 340 B 341 B ? -2.6 GLY 402 B 403 B ? -0.4 GLN 408 B 409 B ? -2.5 PHE 400 B 401 B ? -0.4 +740 ASN 406 B 407 B ? GLY 403 B 404 B ? -1.3 GLY 407 B 408 B ? -0.3 TYR 401 B 402 B ? -0.2 THR 409 B 410 B ? -0.1 +741 GLY 407 B 408 B ? PHE 400 B 401 B ? -2.6 GLN 408 B 409 B ? -0.3 THR 409 B 410 B ? -0.3 ASN 406 B 407 B ? -0.3 +742 GLN 408 B 409 B ? LEU 405 B 406 B ? -2.5 PHE 400 B 401 B ? -0.2 PHE 400 B 401 B ? -2.6 PHE 410 B 411 B ? -0.4 +743 THR 409 B 410 B ? GLY 407 B 408 B ? -0.3 SER 399 B 400 B ? -0.2 THR 411 B 412 B ? -0.4 SER 399 B 400 B ? -0.2 +744 PHE 410 B 411 B ? VAL 398 B 399 B ? -3.0 GLN 408 B 409 B ? -0.4 VAL 398 B 399 B ? -2.0 GLN 408 B 409 B ? -0.0 +745 THR 411 B 412 B ? THR 409 B 410 B ? -0.4 THR 397 B 398 B ? -0.2 PHE 410 B 411 B ? -0.1 SER 399 B 400 B ? -0.0 +746 ASP 412 B 413 B ? PRO 413 B 414 B ? -0.1 VAL 416 B 417 B ? -0.0 VAL 416 B 417 B ? -2.0 THR 415 B 416 B ? -0.7 +747 PRO 413 B 414 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 417 B 418 B ? -2.8 SER 418 B 419 B ? -0.3 +748 PRO 414 B 415 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 418 B 419 B ? -1.7 ASP 412 B 413 B ? -0.0 +749 THR 415 B 416 B ? ASP 412 B 413 B ? -0.7 LYS 417 B 418 B ? -0.2 TYR 419 B 420 B ? -1.9 ALA 420 B 421 B ? -0.2 +750 VAL 416 B 417 B ? ASP 412 B 413 B ? -2.0 LYS 417 B 418 B ? -0.2 ALA 420 B 421 B ? -2.3 THR 415 B 416 B ? -0.2 +751 LYS 417 B 418 B ? PRO 413 B 414 B ? -2.8 ASP 412 B 413 B ? -0.2 ARG 421 B 422 B ? -2.1 VAL 416 B 417 B ? -0.2 +752 SER 418 B 419 B ? PRO 414 B 415 B ? -1.7 PRO 413 B 414 B ? -0.3 LYS 422 B 423 B ? -1.2 VAL 416 B 417 B ? -0.2 +753 TYR 419 B 420 B ? THR 415 B 416 B ? -1.9 ALA 420 B 421 B ? -0.2 ALA 423 B 424 B ? -1.9 LYS 417 B 418 B ? -0.2 +754 ALA 420 B 421 B ? VAL 416 B 417 B ? -2.3 ARG 421 B 422 B ? -0.2 ILE 424 B 425 B ? -0.9 TYR 419 B 420 B ? -0.2 +755 ARG 421 B 422 B ? LYS 417 B 418 B ? -2.1 LYS 422 B 423 B ? -0.2 ILE 424 B 425 B ? -0.3 ALA 420 B 421 B ? -0.2 +756 LYS 422 B 423 B ? SER 418 B 419 B ? -1.2 ALA 423 B 424 B ? -0.2 PHE 425 B 426 B ? -1.6 ARG 421 B 422 B ? -0.2 +757 ALA 423 B 424 B ? TYR 419 B 420 B ? -1.9 ILE 424 B 425 B ? -0.3 GLY 426 B 427 B ? -1.9 ARG 421 B 422 B ? -0.2 +758 ILE 424 B 425 B ? ALA 420 B 421 B ? -0.9 ARG 421 B 422 B ? -0.3 MET 358 B 359 B ? -2.7 ALA 423 B 424 B ? -0.3 +759 PHE 425 B 426 B ? LYS 422 B 423 B ? -1.6 GLY 426 B 427 B ? -0.3 ILE 314 B 315 B ? -2.7 GLU 427 B 428 B ? -0.4 +760 GLY 426 B 427 B ? ALA 423 B 424 B ? -1.9 TYR 313 B 314 B ? -0.2 PHE 425 B 426 B ? -0.3 TYR 313 B 314 B ? -0.2 +761 GLU 427 B 428 B ? ASP 312 B 313 B ? -2.3 PHE 425 B 426 B ? -0.4 PHE 429 B 430 B ? -0.4 HIS 342 B 343 B ? -0.1 +762 ILE 428 B 429 B ? GLY 341 B 342 B ? -0.6 GLY 426 B 427 B ? -0.1 LYS 340 B 341 B ? -2.3 GLY 341 B 342 B ? -0.7 +763 PHE 429 B 430 B ? GLU 427 B 428 B ? -0.4 TRP 339 B 340 B ? -0.2 PHE 431 B 432 B ? -0.4 TRP 339 B 340 B ? -0.2 +764 GLU 430 B 431 B ? ALA 338 B 339 B ? -3.0 ILE 428 B 429 B ? -0.3 GLN 337 B 338 B ? -3.4 ALA 338 B 339 B ? -1.2 +765 PHE 431 B 432 B ? PHE 429 B 430 B ? -0.4 ALA 336 B 337 B ? -0.3 THR 433 B 434 B ? -0.8 ALA 336 B 337 B ? -0.2 +766 ASP 432 B 433 B ? ILE 335 B 336 B ? -2.5 GLU 430 B 431 B ? -0.4 ILE 335 B 336 B ? -2.6 LEU 436 B 437 B ? -0.2 +767 THR 433 B 434 B ? PHE 431 B 432 B ? -0.8 GLY 334 B 335 B ? -0.2 SER 438 B 439 B ? -2.2 ASP 432 B 433 B ? -0.1 +768 GLU 434 B 435 B ? ASN 437 B 438 B ? -0.2 LEU 436 B 437 B ? -0.2 ASN 437 B 438 B ? -1.9 THR 433 B 434 B ? -0.1 +769 THR 435 B 436 B ? LEU 436 B 437 B ? -0.3 ASN 437 B 438 B ? -0.1 GLU 434 B 435 B ? -0.1 THR 433 B 434 B ? -0.1 +770 LEU 436 B 437 B ? ASP 432 B 433 B ? -0.2 ASN 330 B 331 B ? -0.2 THR 435 B 436 B ? -0.3 GLU 434 B 435 B ? -0.2 +771 ASN 437 B 438 B ? GLU 434 B 435 B ? -1.9 SER 438 B 439 B ? -0.1 GLU 434 B 435 B ? -0.2 THR 435 B 436 B ? -0.1 +772 SER 438 B 439 B ? THR 433 B 434 B ? -2.2 ASP 439 B 440 B ? -0.1 GLY 332 B 333 B ? -0.2 ASN 437 B 438 B ? -0.1 +773 ASP 439 B 440 B ? LYS 331 B 332 B ? -1.9 ILE 441 B 442 B ? -0.2 ALA 174 M 177 O ? -0.2 GLY 332 B 333 B ? -0.2 +774 GLY 440 B 441 B ? GLY 332 B 333 B ? -2.6 LYS 331 B 332 B ? -0.3 GLN 173 M 176 O ? -2.5 PHE 442 B 443 B ? -0.4 +775 ILE 441 B 442 B ? LYS 331 B 332 B ? -0.2 PRO 172 M 175 O ? -0.2 GLY 440 B 441 B ? -0.2 ASP 439 B 440 B ? -0.2 +776 PHE 442 B 443 B ? GLY 440 B 441 B ? -0.4 GLY 332 B 333 B ? -0.2 THR 444 B 445 B ? -0.3 ARG 325 B 326 B ? -0.1 +777 ARG 443 B 444 B ? GLY 315 B 316 B ? -0.3 GLY 321 B 322 B ? -0.2 LYS 320 B 321 B ? -0.1 SER 445 B 446 B ? -0.1 +778 THR 444 B 445 B ? ARG 325 B 326 B ? -0.3 PHE 442 B 443 B ? -0.3 ALA 319 B 320 B ? -0.1 ASN 317 B 318 B ? -0.1 +779 SER 445 B 446 B ? ARG 443 B 444 B ? -0.1 PRO 269 B 270 B ? -0.1 TRP 449 B 450 B ? -2.2 GLY 448 B 449 B ? -0.4 +780 PRO 446 B 447 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 450 B 451 B ? -3.3 THR 451 B 452 B ? -0.3 +781 ARG 447 B 448 B ? PHE 267 B 268 B ? -1.2 TRP 449 B 450 B ? -0.2 THR 451 B 452 B ? -1.7 PHE 452 B 453 B ? -0.2 +782 GLY 448 B 449 B ? SER 445 B 446 B ? -0.4 PHE 267 B 268 B ? -0.2 PHE 452 B 453 B ? -2.4 ARG 447 B 448 B ? -0.2 +783 TRP 449 B 450 B ? SER 445 B 446 B ? -2.2 PHE 450 B 451 B ? -0.2 ALA 453 B 454 B ? -2.4 HIS 454 B 455 B ? -0.2 +784 PHE 450 B 451 B ? PRO 446 B 447 B ? -3.3 THR 451 B 452 B ? -0.2 HIS 454 B 455 B ? -2.2 TRP 449 B 450 B ? -0.2 +785 THR 451 B 452 B ? ARG 447 B 448 B ? -1.7 PRO 446 B 447 B ? -0.3 ALA 455 B 456 B ? -2.8 VAL 456 B 457 B ? -0.3 +786 PHE 452 B 453 B ? GLY 448 B 449 B ? -2.4 ALA 453 B 454 B ? -0.2 VAL 456 B 457 B ? -2.5 PHE 457 B 458 B ? -0.2 +787 ALA 453 B 454 B ? TRP 449 B 450 B ? -2.4 HIS 454 B 455 B ? -0.2 PHE 457 B 458 B ? -2.5 PHE 452 B 453 B ? -0.2 +788 HIS 454 B 455 B ? PHE 450 B 451 B ? -2.2 TRP 449 B 450 B ? -0.2 ALA 458 B 459 B ? -2.3 ALA 453 B 454 B ? -0.2 +789 ALA 455 B 456 B ? THR 451 B 452 B ? -2.8 PHE 457 B 458 B ? -0.2 LEU 459 B 460 B ? -1.9 HIS 454 B 455 B ? -0.2 +790 VAL 456 B 457 B ? PHE 452 B 453 B ? -2.5 THR 451 B 452 B ? -0.3 LEU 460 B 461 B ? -2.1 HIS 454 B 455 B ? -0.2 +791 PHE 457 B 458 B ? ALA 453 B 454 B ? -2.5 PHE 452 B 453 B ? -0.2 PHE 461 B 462 B ? -2.6 VAL 456 B 457 B ? -0.2 +792 ALA 458 B 459 B ? HIS 454 B 455 B ? -2.3 LEU 460 B 461 B ? -0.2 PHE 462 B 463 B ? -1.7 PHE 457 B 458 B ? -0.2 +793 LEU 459 B 460 B ? ALA 455 B 456 B ? -1.9 LEU 460 B 461 B ? -0.2 PHE 463 B 464 B ? -1.0 ALA 458 B 459 B ? -0.2 +794 LEU 460 B 461 B ? VAL 456 B 457 B ? -2.1 PHE 461 B 462 B ? -0.2 GLY 464 B 465 B ? -1.6 PHE 463 B 464 B ? -0.5 +795 PHE 461 B 462 B ? PHE 457 B 458 B ? -2.6 PHE 462 B 463 B ? -0.2 HIS 465 B 466 B ? -2.2 LEU 460 B 461 B ? -0.2 +796 PHE 462 B 463 B ? ALA 458 B 459 B ? -1.7 PHE 463 B 464 B ? -0.2 ILE 466 B 467 B ? -2.2 PHE 461 B 462 B ? -0.2 +797 PHE 463 B 464 B ? LEU 459 B 460 B ? -1.0 LEU 460 B 461 B ? -0.5 TRP 467 B 468 B ? -2.6 PHE 461 B 462 B ? -0.2 +798 GLY 464 B 465 B ? LEU 460 B 461 B ? -1.6 ILE 466 B 467 B ? -0.2 HIS 468 B 469 B ? -2.5 GLY 469 B 470 B ? -0.2 +799 HIS 465 B 466 B ? PHE 461 B 462 B ? -2.2 TRP 467 B 468 B ? -0.2 GLY 469 B 470 B ? -2.9 ALA 470 B 471 B ? -0.2 +800 ILE 466 B 467 B ? PHE 462 B 463 B ? -2.2 HIS 468 B 469 B ? -0.2 ALA 470 B 471 B ? -1.9 GLY 464 B 465 B ? -0.2 +801 TRP 467 B 468 B ? PHE 463 B 464 B ? -2.6 GLY 469 B 470 B ? -0.2 ARG 471 B 472 B ? -2.3 HIS 465 B 466 B ? -0.2 +802 HIS 468 B 469 B ? GLY 464 B 465 B ? -2.5 GLY 469 B 470 B ? -0.2 THR 472 B 473 B ? -1.6 SER 238 B 239 B ? -0.2 +803 GLY 469 B 470 B ? HIS 465 B 466 B ? -2.9 GLY 464 B 465 B ? -0.2 LEU 473 B 474 B ? -2.0 HIS 468 B 469 B ? -0.2 +804 ALA 470 B 471 B ? ILE 466 B 467 B ? -1.9 HIS 465 B 466 B ? -0.2 PHE 474 B 475 B ? -1.7 HIS 468 B 469 B ? -0.2 +805 ARG 471 B 472 B ? TRP 467 B 468 B ? -2.3 THR 472 B 473 B ? -0.2 ALA 470 B 471 B ? -0.2 GLY 469 B 470 B ? -0.2 +806 THR 472 B 473 B ? HIS 468 B 469 B ? -1.6 GLU 234 B 235 B ? -0.2 ARG 475 B 476 B ? -0.8 ARG 471 B 472 B ? -0.2 +807 LEU 473 B 474 B ? GLY 469 B 470 B ? -2.0 PHE 474 B 475 B ? -0.2 ARG 471 B 472 B ? -0.2 THR 472 B 473 B ? -0.2 +808 PHE 474 B 475 B ? ALA 470 B 471 B ? -1.7 GLY 469 B 470 B ? -0.2 VAL 477 B 478 B ? -1.9 PHE 478 B 479 B ? -0.2 +809 ARG 475 B 476 B ? THR 472 B 473 B ? -0.8 ASP 476 B 477 B ? -0.3 PHE 478 B 479 B ? -1.5 SER 479 B 480 B ? -0.3 +810 ASP 476 B 477 B ? VAL 477 B 478 B ? -0.3 THR 472 B 473 B ? -0.2 ARG 475 B 476 B ? -0.3 SER 479 B 480 B ? -0.1 +811 VAL 477 B 478 B ? PHE 474 B 475 B ? -1.9 PHE 478 B 479 B ? -0.1 GLY 480 B 481 B ? -0.9 ASP 476 B 477 B ? -0.3 +812 PHE 478 B 479 B ? ARG 475 B 476 B ? -1.5 SER 479 B 480 B ? -0.3 ASP 476 B 477 B ? -0.1 ILE 481 B 482 B ? -0.1 +813 SER 479 B 480 B ? GLY 480 B 481 B ? -0.3 ARG 475 B 476 B ? -0.3 GLU 216 A 226 A ? -0.6 THR 217 A 227 A ? -0.3 +814 GLY 480 B 481 B ? VAL 477 B 478 B ? -0.9 ARG 215 A 225 A ? -0.2 SER 479 B 480 B ? -0.3 ILE 214 A 224 A ? -0.3 +815 ILE 481 B 482 B ? LEU 213 A 223 A ? -2.8 SER 479 B 480 B ? -0.2 ARG 215 A 225 A ? -2.4 VAL 128 D 138 D ? -0.1 +816 ASP 482 B 483 B ? GLY 127 D 137 D ? -0.3 ILE 214 A 224 A ? -0.2 LEU 485 B 486 B ? -1.6 ILE 481 B 482 B ? -0.2 +817 PRO 483 B 484 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 482 B 483 B ? -0.2 ILE 214 A 224 A ? -0.1 +818 GLU 484 B 485 B ? SER 486 B 487 B ? -0.1 PRO 487 B 488 B ? -0.0 SER 486 B 487 B ? -0.3 ASP 482 B 483 B ? -0.1 +819 LEU 485 B 486 B ? ASP 482 B 483 B ? -1.6 SER 486 B 487 B ? -0.1 ALA 240 A 250 A ? -0.1 VAL 490 B 491 B ? -0.0 +820 SER 486 B 487 B ? GLU 484 B 485 B ? -0.3 PRO 487 B 488 B ? -0.2 GLN 489 B 490 B ? -1.7 VAL 490 B 491 B ? -0.7 +821 PRO 487 B 488 B ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 491 B 492 B ? -1.1 SER 486 B 487 B ? -0.2 +822 GLU 488 B 489 B ? GLN 489 B 490 B ? -0.2 VAL 490 B 491 B ? -0.2 TYR 495 B 496 B ? -0.3 PHE 494 B 495 B ? -0.2 +823 GLN 489 B 490 B ? SER 486 B 487 B ? -1.7 VAL 490 B 491 B ? -0.2 GLY 499 B 500 B ? -0.5 GLU 488 B 489 B ? -0.2 +824 VAL 490 B 491 B ? SER 486 B 487 B ? -0.7 PRO 487 B 488 B ? -0.1 TRP 492 B 493 B ? -0.2 GLU 488 B 489 B ? -0.2 +825 GLU 491 B 492 B ? PRO 487 B 488 B ? -1.1 TRP 492 B 493 B ? -0.1 TYR 495 B 496 B ? -0.4 PHE 494 B 495 B ? -0.3 +826 TRP 492 B 493 B ? VAL 490 B 491 B ? -0.2 GLY 493 B 494 B ? -0.2 PHE 494 B 495 B ? -0.1 THR 2 E 5 E ? -0.1 +827 GLY 493 B 494 B ? TYR 495 B 496 B ? -0.4 GLU 491 B 492 B ? -0.2 TRP 492 B 493 B ? -0.2 ASP 15 D 25 D ? -0.1 +828 PHE 494 B 495 B ? GLU 491 B 492 B ? -0.3 GLU 488 B 489 B ? -0.2 GLN 496 B 497 B ? -0.4 TRP 492 B 493 B ? -0.1 +829 TYR 495 B 496 B ? GLU 491 B 492 B ? -0.4 GLU 488 B 489 B ? -0.3 GLY 493 B 494 B ? -0.4 ARG 504 B 505 B ? -0.2 +830 GLN 496 B 497 B ? THR 503 B 504 B ? -2.7 PHE 494 B 495 B ? -0.4 ASP 15 D 25 D ? -3.1 VAL 498 B 499 B ? -0.5 +831 LYS 497 B 498 B ? ASP 500 B 501 B ? -0.4 ARG 14 D 24 D ? -0.3 ASP 500 B 501 B ? -1.7 ARG 14 D 24 D ? -0.3 +832 VAL 498 B 499 B ? LYS 13 D 23 D ? -2.7 GLN 496 B 497 B ? -0.5 VAL 490 B 491 B ? -0.1 VAL 501 B 502 B ? -0.1 +833 GLY 499 B 500 B ? GLN 489 B 490 B ? -0.5 ASP 500 B 501 B ? -0.2 VAL 501 B 502 B ? -0.7 VAL 498 B 499 B ? -0.3 +834 ASP 500 B 501 B ? LYS 497 B 498 B ? -1.7 VAL 501 B 502 B ? -0.1 THR 503 B 504 B ? -1.1 LYS 497 B 498 B ? -0.4 +835 VAL 501 B 502 B ? GLY 499 B 500 B ? -0.7 THR 502 B 503 B ? -0.3 ARG 504 B 505 B ? -0.8 ASP 500 B 501 B ? -0.1 +836 THR 502 B 503 B ? THR 503 B 504 B ? -0.2 ARG 504 B 505 B ? -0.1 VAL 501 B 502 B ? -0.3 ASP 500 B 501 B ? -0.0 +837 THR 503 B 504 B ? ASP 500 B 501 B ? -1.1 LYS 497 B 498 B ? -0.2 GLN 496 B 497 B ? -2.7 THR 502 B 503 B ? -0.2 +838 ARG 504 B 505 B ? VAL 501 B 502 B ? -0.8 TYR 495 B 496 B ? -0.2 THR 503 B 504 B ? -0.1 THR 502 B 503 B ? -0.1 +839 ALA 1 C 23 C ? LEU 29 S 46 Y ? -0.0 ? ? ? ? ? ? ? ARG 4 C 26 C ? -1.5 ASN 3 C 25 C ? -0.6 +840 THR 2 C 24 C ? ASN 3 C 25 C ? -0.3 ARG 4 C 26 C ? -0.1 SER 9 C 31 C ? -0.0 ? ? ? ? ? ? ? +841 ASN 3 C 25 C ? ALA 1 C 23 C ? -0.6 ARG 4 C 26 C ? -0.1 THR 2 C 24 C ? -0.3 SER 9 C 31 C ? -0.1 +842 ARG 4 C 26 C ? ALA 1 C 23 C ? -1.5 SER 8 C 30 C ? -0.1 GLN 6 C 28 C ? -0.3 THR 2 C 24 C ? -0.1 +843 ASP 5 C 27 C ? ALA 1 C 23 C ? -0.1 ARG 19 C 41 C ? -0.0 SER 9 C 31 C ? -1.8 PHE 11 C 33 C ? -0.3 +844 GLN 6 C 28 C ? ARG 4 C 26 C ? -0.3 GLU 7 C 29 C ? -0.2 GLY 10 C 32 C ? -1.8 SER 220 D 230 D ? -0.1 +845 GLU 7 C 29 C ? SER 8 C 30 C ? -0.2 SER 9 C 31 C ? -0.2 GLN 6 C 28 C ? -0.2 ALA 12 C 34 C ? -0.0 +846 SER 8 C 30 C ? SER 9 C 31 C ? -0.1 PHE 11 C 33 C ? -0.1 GLN 6 C 28 C ? -0.2 GLU 7 C 29 C ? -0.2 +847 SER 9 C 31 C ? ASP 5 C 27 C ? -1.8 PHE 11 C 33 C ? -0.2 GLN 6 C 28 C ? -0.2 GLU 7 C 29 C ? -0.2 +848 GLY 10 C 32 C ? GLN 6 C 28 C ? -1.8 ASP 5 C 27 C ? -0.3 ALA 219 D 229 D ? -1.6 SER 220 D 230 D ? -1.3 +849 PHE 11 C 33 C ? ASP 5 C 27 C ? -0.3 ALA 219 D 229 D ? -0.2 GLY 10 C 32 C ? -0.2 SER 9 C 31 C ? -0.2 +850 ALA 12 C 34 C ? GLY 10 C 32 C ? -0.4 SER 9 C 31 C ? -0.1 ALA 15 C 37 C ? -2.1 ARG 19 C 41 C ? -0.1 +851 TRP 13 C 35 C ? PHE 36 J 45 K ? -0.4 TRP 14 C 36 C ? -0.3 GLY 16 C 38 C ? -1.7 ASN 17 C 39 C ? -0.2 +852 TRP 14 C 36 C ? ALA 15 C 37 C ? -0.3 GLY 16 C 38 C ? -0.1 TRP 13 C 35 C ? -0.3 ASN 17 C 39 C ? -0.1 +853 ALA 15 C 37 C ? ALA 12 C 34 C ? -2.1 GLY 16 C 38 C ? -0.1 ALA 18 C 40 C ? -1.5 TRP 14 C 36 C ? -0.3 +854 GLY 16 C 38 C ? TRP 13 C 35 C ? -1.7 ASN 17 C 39 C ? -0.3 ARG 19 C 41 C ? -1.9 TRP 14 C 36 C ? -0.1 +855 ASN 17 C 39 C ? ALA 18 C 40 C ? -0.3 TRP 13 C 35 C ? -0.2 LEU 20 C 42 C ? -1.3 GLY 16 C 38 C ? -0.3 +856 ALA 18 C 40 C ? ALA 15 C 37 C ? -1.5 ARG 19 C 41 C ? -0.3 ILE 21 C 43 C ? -1.2 ASN 17 C 39 C ? -0.3 +857 ARG 19 C 41 C ? GLY 16 C 38 C ? -1.9 LEU 20 C 42 C ? -0.2 ALA 18 C 40 C ? -0.3 ASN 22 C 44 C ? -0.2 +858 LEU 20 C 42 C ? ASN 17 C 39 C ? -1.3 ILE 21 C 43 C ? -0.2 LEU 23 C 45 C ? -1.7 ARG 19 C 41 C ? -0.2 +859 ILE 21 C 43 C ? ALA 18 C 40 C ? -1.2 ASN 22 C 44 C ? -0.3 LEU 20 C 42 C ? -0.2 ARG 19 C 41 C ? -0.1 +860 ASN 22 C 44 C ? ARG 19 C 41 C ? -0.2 ALA 18 C 40 C ? -0.2 SER 24 C 46 C ? -0.4 ILE 21 C 43 C ? -0.3 +861 LEU 23 C 45 C ? LEU 20 C 42 C ? -1.7 SER 24 C 46 C ? -0.1 LEU 27 C 49 C ? -2.7 LEU 28 C 50 C ? -0.2 +862 SER 24 C 46 C ? ASN 22 C 44 C ? -0.4 GLY 25 C 47 C ? -0.2 LEU 28 C 50 C ? -2.5 THR 117 C 139 C ? -0.2 +863 GLY 25 C 47 C ? GLU 116 C 138 C ? -1.3 LEU 27 C 49 C ? -0.2 GLY 29 C 51 C ? -1.8 SER 24 C 46 C ? -0.2 +864 LYS 26 C 48 C ? GLU 116 C 138 C ? -1.4 LEU 28 C 50 C ? -0.2 ALA 30 C 52 C ? -2.4 SER 24 C 46 C ? -0.2 +865 LEU 27 C 49 C ? LEU 23 C 45 C ? -2.7 GLU 116 C 138 C ? -0.4 HIS 31 C 53 C ? -1.9 GLY 25 C 47 C ? -0.2 +866 LEU 28 C 50 C ? SER 24 C 46 C ? -2.5 LEU 23 C 45 C ? -0.2 VAL 32 C 54 C ? -2.2 LEU 27 C 49 C ? -0.2 +867 GLY 29 C 51 C ? GLY 25 C 47 C ? -1.8 HIS 110 C 132 C ? -0.3 ALA 33 C 55 C ? -2.8 HIS 34 C 56 C ? -0.3 +868 ALA 30 C 52 C ? LYS 26 C 48 C ? -2.4 HIS 31 C 53 C ? -0.2 HIS 34 C 56 C ? -1.6 GLY 29 C 51 C ? -0.2 +869 HIS 31 C 53 C ? LEU 27 C 49 C ? -1.9 ALA 33 C 55 C ? -0.2 ALA 35 C 57 C ? -2.3 ALA 30 C 52 C ? -0.2 +870 VAL 32 C 54 C ? LEU 28 C 50 C ? -2.2 HIS 34 C 56 C ? -0.2 GLY 36 C 58 C ? -1.9 GLY 107 C 129 C ? -0.3 +871 ALA 33 C 55 C ? GLY 29 C 51 C ? -2.8 GLY 107 C 129 C ? -0.2 LEU 37 C 59 C ? -1.3 VAL 32 C 54 C ? -0.2 +872 HIS 34 C 56 C ? ALA 30 C 52 C ? -1.6 GLY 29 C 51 C ? -0.3 ILE 38 C 60 C ? -1.8 VAL 32 C 54 C ? -0.2 +873 ALA 35 C 57 C ? HIS 31 C 53 C ? -2.3 GLY 36 C 58 C ? -0.2 VAL 39 C 61 C ? -2.3 PHE 40 C 62 C ? -0.2 +874 GLY 36 C 58 C ? VAL 32 C 54 C ? -1.9 LEU 37 C 59 C ? -0.2 PHE 40 C 62 C ? -2.8 ALA 35 C 57 C ? -0.2 +875 LEU 37 C 59 C ? ALA 33 C 55 C ? -1.3 VAL 39 C 61 C ? -0.2 TRP 41 C 63 C ? -2.4 GLY 36 C 58 C ? -0.2 +876 ILE 38 C 60 C ? HIS 34 C 56 C ? -1.8 PHE 40 C 62 C ? -0.2 ALA 42 C 64 C ? -2.0 GLY 36 C 58 C ? -0.2 +877 VAL 39 C 61 C ? ALA 35 C 57 C ? -2.3 PHE 40 C 62 C ? -0.2 GLY 43 C 65 C ? -2.1 LEU 37 C 59 C ? -0.2 +878 PHE 40 C 62 C ? GLY 36 C 58 C ? -2.8 ALA 35 C 57 C ? -0.2 ALA 44 C 66 C ? -3.3 MET 45 C 67 C ? -0.3 +879 TRP 41 C 63 C ? LEU 37 C 59 C ? -2.4 ALA 42 C 64 C ? -0.2 MET 45 C 67 C ? -3.4 THR 46 C 68 C ? -0.3 +880 ALA 42 C 64 C ? ILE 38 C 60 C ? -2.0 ALA 44 C 66 C ? -0.2 THR 46 C 68 C ? -1.4 TRP 41 C 63 C ? -0.2 +881 GLY 43 C 65 C ? VAL 39 C 61 C ? -2.1 MET 45 C 67 C ? -0.2 LEU 47 C 69 C ? -1.8 TRP 41 C 63 C ? -0.2 +882 ALA 44 C 66 C ? PHE 40 C 62 C ? -3.3 MET 45 C 67 C ? -0.2 PHE 48 C 70 C ? -1.9 ALA 42 C 64 C ? -0.2 +883 MET 45 C 67 C ? TRP 41 C 63 C ? -3.4 PHE 40 C 62 C ? -0.3 GLU 49 C 71 C ? -2.8 ALA 44 C 66 C ? -0.2 +884 THR 46 C 68 C ? ALA 42 C 64 C ? -1.4 TRP 41 C 63 C ? -0.3 LEU 50 C 72 C ? -2.8 MET 45 C 67 C ? -0.2 +885 LEU 47 C 69 C ? GLY 43 C 65 C ? -1.8 GLU 49 C 71 C ? -0.2 ALA 51 C 73 C ? -2.4 THR 46 C 68 C ? -0.2 +886 PHE 48 C 70 C ? ALA 44 C 66 C ? -1.9 LEU 50 C 72 C ? -0.2 HIS 52 C 74 C ? -1.7 THR 46 C 68 C ? -0.2 +887 GLU 49 C 71 C ? MET 45 C 67 C ? -2.8 LEU 50 C 72 C ? -0.2 HIS 52 C 74 C ? -0.3 LEU 47 C 69 C ? -0.2 +888 LEU 50 C 72 C ? THR 46 C 68 C ? -2.8 ALA 51 C 73 C ? -0.2 PHE 53 C 75 C ? -1.5 GLU 49 C 71 C ? -0.2 +889 ALA 51 C 73 C ? LEU 47 C 69 C ? -2.4 HIS 52 C 74 C ? -0.3 LEU 50 C 72 C ? -0.2 LEU 2 J 11 K ? -0.2 +890 HIS 52 C 74 C ? PHE 48 C 70 C ? -1.7 GLU 49 C 71 C ? -0.3 ILE 54 C 76 C ? -0.4 ALA 51 C 73 C ? -0.3 +891 PHE 53 C 75 C ? LEU 50 C 72 C ? -1.5 GLU 49 C 71 C ? -0.1 MET 59 C 81 C ? -0.1 LEU 50 C 72 C ? -0.0 +892 ILE 54 C 76 C ? HIS 52 C 74 C ? -0.4 PRO 58 C 80 C ? -0.1 LYS 57 C 79 C ? -1.3 HIS 52 C 74 C ? -0.0 +893 PRO 55 C 77 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 83 C 105 C ? -0.4 MET 59 C 81 C ? -0.1 +894 GLU 56 C 78 C ? PRO 58 C 80 C ? -0.1 PRO 102 Q 102 V ? -0.1 LYS 103 Q 103 V ? -0.1 ARG 105 Q 105 V ? -0.1 +895 LYS 57 C 79 C ? ILE 54 C 76 C ? -1.3 PRO 102 Q 102 V ? -0.1 ILE 54 C 76 C ? -0.1 GLN 62 C 84 C ? -0.1 +896 PRO 58 C 80 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 61 C 83 C ? -1.3 GLN 62 C 84 C ? -0.2 +897 MET 59 C 81 C ? GLU 278 C 300 C ? -0.4 TYR 60 C 82 C ? -0.2 GLN 62 C 84 C ? -1.9 LEU 64 C 86 C ? -1.0 +898 TYR 60 C 82 C ? GLU 278 C 300 C ? -0.3 GLU 61 C 83 C ? -0.3 VAL 398 C 420 C ? -0.3 GLY 63 C 85 C ? -0.3 +899 GLU 61 C 83 C ? PRO 58 C 80 C ? -1.3 GLN 62 C 84 C ? -0.2 TYR 60 C 82 C ? -0.3 MET 59 C 81 C ? -0.2 +900 GLN 62 C 84 C ? MET 59 C 81 C ? -1.9 PRO 58 C 80 C ? -0.2 TYR 60 C 82 C ? -0.2 GLU 61 C 83 C ? -0.2 +901 GLY 63 C 85 C ? TYR 60 C 82 C ? -0.3 MET 59 C 81 C ? -0.3 ILE 65 C 87 C ? -0.4 TYR 60 C 82 C ? -0.1 +902 LEU 64 C 86 C ? MET 59 C 81 C ? -1.0 PHE 279 C 301 C ? -0.2 GLY 63 C 85 C ? -0.2 GLN 62 C 84 C ? -0.1 +903 ILE 65 C 87 C ? GLY 63 C 85 C ? -0.4 TRP 403 C 425 C ? -0.0 HIS 69 C 91 C ? -0.3 LEU 64 C 86 C ? -0.1 +904 LEU 66 C 88 C ? PRO 68 C 90 C ? -0.2 MET 45 C 67 C ? -0.1 ILE 70 C 92 C ? -1.8 HIS 69 C 91 C ? -1.2 +905 ILE 67 C 89 C ? PRO 68 C 90 C ? -0.3 HIS 69 C 91 C ? -0.2 ALA 71 C 93 C ? -2.8 THR 72 C 94 C ? -0.2 +906 PRO 68 C 90 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 72 C 94 C ? -1.6 ILE 67 C 89 C ? -0.3 +907 HIS 69 C 91 C ? LEU 66 C 88 C ? -1.2 ILE 65 C 87 C ? -0.3 LEU 73 C 95 C ? -0.8 ILE 67 C 89 C ? -0.2 +908 ILE 70 C 92 C ? LEU 66 C 88 C ? -1.8 ALA 71 C 93 C ? -0.2 TRP 75 C 97 C ? -1.4 LEU 73 C 95 C ? -0.6 +909 ALA 71 C 93 C ? ILE 67 C 89 C ? -2.8 THR 72 C 94 C ? -0.2 GLY 74 C 96 C ? -2.0 ILE 70 C 92 C ? -0.2 +910 THR 72 C 94 C ? PRO 68 C 90 C ? -1.6 LEU 73 C 95 C ? -0.3 TYR 164 C 186 C ? -2.2 ALA 71 C 93 C ? -0.2 +911 LEU 73 C 95 C ? HIS 69 C 91 C ? -0.8 ILE 70 C 92 C ? -0.6 THR 72 C 94 C ? -0.3 ALA 71 C 93 C ? -0.2 +912 GLY 74 C 96 C ? ALA 71 C 93 C ? -2.0 TRP 75 C 97 C ? -0.3 GLY 76 C 98 C ? -0.5 VAL 77 C 99 C ? -0.3 +913 TRP 75 C 97 C ? ILE 70 C 92 C ? -1.4 GLY 76 C 98 C ? -0.2 GLY 74 C 96 C ? -0.3 LEU 73 C 95 C ? -0.1 +914 GLY 76 C 98 C ? GLY 74 C 96 C ? -0.5 VAL 77 C 99 C ? -0.2 VAL 84 C 106 C ? -2.1 ASP 85 C 107 C ? -1.5 +915 VAL 77 C 99 C ? GLY 74 C 96 C ? -0.3 VAL 83 C 105 C ? -0.3 VAL 83 C 105 C ? -0.2 GLY 76 C 98 C ? -0.2 +916 GLY 78 C 100 C ? GLU 82 C 104 C ? -2.4 GLY 76 C 98 C ? -0.3 GLY 81 C 103 C ? -2.2 GLU 82 C 104 C ? -0.4 +917 PRO 79 C 101 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 82 C 104 C ? -1.3 GLY 78 C 100 C ? -0.3 +918 GLY 80 C 102 C ? GLY 172 C 194 C ? -3.4 GLY 81 C 103 C ? -0.2 ASP 173 C 195 C ? -0.2 GLY 172 C 194 C ? -0.1 +919 GLY 81 C 103 C ? GLY 78 C 100 C ? -2.2 GLY 172 C 194 C ? -0.3 GLY 80 C 102 C ? -0.2 VAL 83 C 105 C ? -0.1 +920 GLU 82 C 104 C ? PRO 79 C 101 C ? -1.3 GLY 78 C 100 C ? -0.4 GLY 78 C 100 C ? -2.4 VAL 84 C 106 C ? -0.6 +921 VAL 83 C 105 C ? PRO 55 C 77 C ? -0.4 VAL 77 C 99 C ? -0.2 VAL 77 C 99 C ? -0.3 THR 86 C 108 C ? -0.1 +922 VAL 84 C 106 C ? GLY 76 C 98 C ? -2.1 GLU 82 C 104 C ? -0.6 THR 86 C 108 C ? -0.3 VAL 77 C 99 C ? -0.2 +923 ASP 85 C 107 C ? GLY 76 C 98 C ? -1.5 THR 86 C 108 C ? -0.1 VAL 84 C 106 C ? -0.3 PHE 89 C 111 C ? -0.3 +924 THR 86 C 108 C ? VAL 84 C 106 C ? -0.3 PHE 87 C 109 C ? -0.2 PHE 90 C 112 C ? -1.7 PHE 89 C 111 C ? -0.4 +925 PHE 87 C 109 C ? PRO 88 C 110 C ? -0.2 PHE 89 C 111 C ? -0.2 VAL 91 C 113 C ? -2.5 THR 86 C 108 C ? -0.2 +926 PRO 88 C 110 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 92 C 114 C ? -2.3 PHE 87 C 109 C ? -0.2 +927 PHE 89 C 111 C ? THR 86 C 108 C ? -0.4 ASP 85 C 107 C ? -0.3 GLY 93 C 115 C ? -2.0 PHE 87 C 109 C ? -0.2 +928 PHE 90 C 112 C ? THR 86 C 108 C ? -1.7 VAL 91 C 113 C ? -0.2 VAL 94 C 116 C ? -2.7 PHE 89 C 111 C ? -0.2 +929 VAL 91 C 113 C ? PHE 87 C 109 C ? -2.5 VAL 92 C 114 C ? -0.2 VAL 95 C 117 C ? -2.8 HIS 96 C 118 C ? -0.3 +930 VAL 92 C 114 C ? PRO 88 C 110 C ? -2.3 GLY 93 C 115 C ? -0.2 HIS 96 C 118 C ? -1.6 VAL 91 C 113 C ? -0.2 +931 GLY 93 C 115 C ? PHE 89 C 111 C ? -2.0 PRO 88 C 110 C ? -0.2 LEU 97 C 119 C ? -2.2 VAL 91 C 113 C ? -0.2 +932 VAL 94 C 116 C ? PHE 90 C 112 C ? -2.7 HIS 96 C 118 C ? -0.2 ILE 98 C 120 C ? -2.9 SER 99 C 121 C ? -0.2 +933 VAL 95 C 117 C ? VAL 91 C 113 C ? -2.8 HIS 96 C 118 C ? -0.2 SER 99 C 121 C ? -2.4 VAL 94 C 116 C ? -0.2 +934 HIS 96 C 118 C ? VAL 92 C 114 C ? -1.6 VAL 91 C 113 C ? -0.3 SER 100 C 122 C ? -1.6 VAL 95 C 117 C ? -0.2 +935 LEU 97 C 119 C ? GLY 93 C 115 C ? -2.2 ILE 98 C 120 C ? -0.2 ALA 101 C 123 C ? -0.8 VAL 95 C 117 C ? -0.2 +936 ILE 98 C 120 C ? VAL 94 C 116 C ? -2.9 SER 99 C 121 C ? -0.2 VAL 102 C 124 C ? -0.8 ALA 101 C 123 C ? -0.8 +937 SER 99 C 121 C ? VAL 95 C 117 C ? -2.4 SER 100 C 122 C ? -0.2 LEU 103 C 125 C ? -1.8 VAL 102 C 124 C ? -0.2 +938 SER 100 C 122 C ? HIS 96 C 118 C ? -1.6 ALA 101 C 123 C ? -0.2 GLY 104 C 126 C ? -3.2 SER 99 C 121 C ? -0.2 +939 ALA 101 C 123 C ? LEU 97 C 119 C ? -0.8 ILE 98 C 120 C ? -0.8 PHE 105 C 127 C ? -2.3 SER 100 C 122 C ? -0.2 +940 VAL 102 C 124 C ? ILE 98 C 120 C ? -0.8 SER 99 C 121 C ? -0.2 GLY 106 C 128 C ? -2.2 SER 100 C 122 C ? -0.2 +941 LEU 103 C 125 C ? SER 99 C 121 C ? -1.8 PHE 105 C 127 C ? -0.2 GLY 107 C 129 C ? -3.1 ALA 101 C 123 C ? -0.2 +942 GLY 104 C 126 C ? SER 100 C 122 C ? -3.2 GLY 106 C 128 C ? -0.2 VAL 108 C 130 C ? -2.7 TYR 109 C 131 C ? -0.2 +943 PHE 105 C 127 C ? ALA 101 C 123 C ? -2.3 GLY 107 C 129 C ? -0.2 TYR 109 C 131 C ? -2.2 LEU 103 C 125 C ? -0.2 +944 GLY 106 C 128 C ? VAL 102 C 124 C ? -2.2 VAL 108 C 130 C ? -0.2 HIS 110 C 132 C ? -2.7 ALA 111 C 133 C ? -0.3 +945 GLY 107 C 129 C ? LEU 103 C 125 C ? -3.1 VAL 32 C 54 C ? -0.3 ALA 111 C 133 C ? -2.1 ALA 33 C 55 C ? -0.2 +946 VAL 108 C 130 C ? GLY 104 C 126 C ? -2.7 HIS 110 C 132 C ? -0.2 ILE 112 C 134 C ? -1.9 ARG 113 C 135 C ? -0.5 +947 TYR 109 C 131 C ? PHE 105 C 127 C ? -2.2 GLY 104 C 126 C ? -0.2 GLY 114 C 136 C ? -2.8 ARG 113 C 135 C ? -2.5 +948 HIS 110 C 132 C ? GLY 106 C 128 C ? -2.7 ARG 113 C 135 C ? -0.2 GLY 29 C 51 C ? -0.3 VAL 108 C 130 C ? -0.2 +949 ALA 111 C 133 C ? GLY 107 C 129 C ? -2.1 GLY 106 C 128 C ? -0.3 HIS 110 C 132 C ? -0.2 TYR 109 C 131 C ? -0.2 +950 ILE 112 C 134 C ? VAL 108 C 130 C ? -1.9 TYR 109 C 131 C ? -0.3 HIS 110 C 132 C ? -0.2 TYR 109 C 131 C ? -0.2 +951 ARG 113 C 135 C ? TYR 109 C 131 C ? -2.5 VAL 108 C 130 C ? -0.5 HIS 110 C 132 C ? -0.2 TYR 109 C 131 C ? -0.1 +952 GLY 114 C 136 C ? TYR 109 C 131 C ? -2.8 PRO 115 C 137 C ? -0.2 LYS 26 C 48 C ? -0.1 GLU 116 C 138 C ? -0.0 +953 PRO 115 C 137 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 114 C 136 C ? -0.2 ARG 113 C 135 C ? -0.1 +954 GLU 116 C 138 C ? GLY 25 C 47 C ? -0.2 THR 117 C 139 C ? -0.1 LYS 26 C 48 C ? -1.4 GLY 25 C 47 C ? -1.3 +955 THR 117 C 139 C ? SER 24 C 46 C ? -0.2 GLY 25 C 47 C ? -0.2 TYR 121 C 143 C ? -0.3 GLU 116 C 138 C ? -0.1 +956 LEU 118 C 140 C ? GLU 116 C 138 C ? -0.3 TYR 127 C 149 C ? -0.1 SER 122 C 144 C ? -2.8 GLY 126 C 148 C ? -0.4 +957 GLU 119 C 141 C ? GLU 120 C 142 C ? -0.2 TYR 121 C 143 C ? -0.2 GLY 126 C 148 C ? -0.1 LEU 118 C 140 C ? -0.1 +958 GLU 120 C 142 C ? TYR 121 C 143 C ? -0.1 THR 117 C 139 C ? -0.1 GLU 119 C 141 C ? -0.2 SER 123 C 145 C ? -0.2 +959 TYR 121 C 143 C ? THR 117 C 139 C ? -0.3 SER 122 C 144 C ? -0.3 SER 123 C 145 C ? -0.3 GLU 119 C 141 C ? -0.2 +960 SER 122 C 144 C ? LEU 118 C 140 C ? -2.8 SER 123 C 145 C ? -0.1 GLY 126 C 148 C ? -1.6 TYR 121 C 143 C ? -0.3 +961 SER 123 C 145 C ? TYR 121 C 143 C ? -0.3 PHE 125 C 147 C ? -0.2 SER 122 C 144 C ? -0.1 GLU 119 C 141 C ? -0.1 +962 PHE 124 C 146 C ? PHE 125 C 147 C ? -0.2 TYR 121 C 143 C ? -0.1 SER 123 C 145 C ? -0.2 GLU 119 C 141 C ? -0.1 +963 PHE 125 C 147 C ? LEU 118 C 140 C ? -0.2 TYR 127 C 149 C ? -0.0 SER 123 C 145 C ? -0.2 PHE 124 C 146 C ? -0.2 +964 GLY 126 C 148 C ? SER 122 C 144 C ? -1.6 LEU 118 C 140 C ? -0.4 ASP 128 C 150 C ? -0.3 THR 117 C 139 C ? -0.0 +965 TYR 127 C 149 C ? PHE 125 C 147 C ? -0.1 MET 135 C 157 C ? -0.0 TRP 129 C 151 C ? -0.4 SER 24 C 46 C ? -0.2 +966 ASP 128 C 150 C ? GLY 126 C 148 C ? -0.3 ASP 131 C 153 C ? -0.2 ASP 131 C 153 C ? -2.1 MET 135 C 157 C ? -0.2 +967 TRP 129 C 151 C ? TYR 127 C 149 C ? -0.4 LYS 130 C 152 C ? -0.3 ASP 128 C 150 C ? -0.1 MET 135 C 157 C ? -0.1 +968 LYS 130 C 152 C ? ASP 131 C 153 C ? -0.1 TYR 127 C 149 C ? -0.0 LYS 132 C 154 C ? -1.4 TRP 129 C 151 C ? -0.3 +969 ASP 131 C 153 C ? ASP 128 C 150 C ? -2.1 LYS 132 C 154 C ? -0.2 MET 135 C 157 C ? -2.2 THR 136 C 158 C ? -0.2 +970 LYS 132 C 154 C ? LYS 130 C 152 C ? -1.4 LYS 134 C 156 C ? -0.2 THR 136 C 158 C ? -1.9 ASP 131 C 153 C ? -0.2 +971 ASN 133 C 155 C ? MET 135 C 157 C ? -0.2 LYS 134 C 156 C ? -0.2 THR 137 C 159 C ? -1.6 THR 136 C 158 C ? -0.2 +972 LYS 134 C 156 C ? MET 135 C 157 C ? -0.2 THR 136 C 158 C ? -0.2 ILE 138 C 160 C ? -2.0 LYS 132 C 154 C ? -0.2 +973 MET 135 C 157 C ? ASP 131 C 153 C ? -2.2 THR 136 C 158 C ? -0.2 LEU 139 C 161 C ? -2.0 LYS 134 C 156 C ? -0.2 +974 THR 136 C 158 C ? LYS 132 C 154 C ? -1.9 ASN 133 C 155 C ? -0.2 GLY 140 C 162 C ? -2.6 MET 135 C 157 C ? -0.2 +975 THR 137 C 159 C ? ASN 133 C 155 C ? -1.6 LEU 139 C 161 C ? -0.2 PHE 141 C 163 C ? -2.5 MET 135 C 157 C ? -0.2 +976 ILE 138 C 160 C ? LYS 134 C 156 C ? -2.0 GLY 140 C 162 C ? -0.2 HIS 142 C 164 C ? -1.9 THR 136 C 158 C ? -0.2 +977 LEU 139 C 161 C ? MET 135 C 157 C ? -2.0 PHE 141 C 163 C ? -0.2 LEU 143 C 165 C ? -2.2 THR 137 C 159 C ? -0.2 +978 GLY 140 C 162 C ? THR 136 C 158 C ? -2.6 PHE 141 C 163 C ? -0.2 ILE 144 C 166 C ? -1.8 ILE 138 C 160 C ? -0.2 +979 PHE 141 C 163 C ? THR 137 C 159 C ? -2.5 HIS 142 C 164 C ? -0.2 VAL 145 C 167 C ? -1.9 GLY 140 C 162 C ? -0.2 +980 HIS 142 C 164 C ? ILE 138 C 160 C ? -1.9 LEU 143 C 165 C ? -0.2 LEU 146 C 168 C ? -2.5 PHE 141 C 163 C ? -0.2 +981 LEU 143 C 165 C ? LEU 139 C 161 C ? -2.2 VAL 145 C 167 C ? -0.2 GLY 147 C 169 C ? -2.6 HIS 142 C 164 C ? -0.2 +982 ILE 144 C 166 C ? GLY 140 C 162 C ? -1.8 LEU 146 C 168 C ? -0.2 ILE 148 C 170 C ? -2.3 HIS 142 C 164 C ? -0.2 +983 VAL 145 C 167 C ? PHE 141 C 163 C ? -1.9 GLY 147 C 169 C ? -0.2 GLY 149 C 171 C ? -2.1 LEU 143 C 165 C ? -0.2 +984 LEU 146 C 168 C ? HIS 142 C 164 C ? -2.5 ILE 148 C 170 C ? -0.2 ALA 150 C 172 C ? -2.0 ILE 144 C 166 C ? -0.2 +985 GLY 147 C 169 C ? LEU 143 C 165 C ? -2.6 GLY 149 C 171 C ? -0.2 LEU 151 C 173 C ? -2.0 LEU 146 C 168 C ? -0.2 +986 ILE 148 C 170 C ? ILE 144 C 166 C ? -2.3 GLY 149 C 171 C ? -0.2 LEU 152 C 174 C ? -1.8 GLY 147 C 169 C ? -0.2 +987 GLY 149 C 171 C ? VAL 145 C 167 C ? -2.1 ALA 150 C 172 C ? -0.2 LEU 153 C 175 C ? -0.8 GLY 147 C 169 C ? -0.2 +988 ALA 150 C 172 C ? LEU 146 C 168 C ? -2.0 LEU 151 C 173 C ? -0.2 VAL 154 C 176 C ? -1.3 LEU 153 C 175 C ? -0.8 +989 LEU 151 C 173 C ? GLY 147 C 169 C ? -2.0 LEU 152 C 174 C ? -0.2 ALA 155 C 177 C ? -2.7 ALA 150 C 172 C ? -0.2 +990 LEU 152 C 174 C ? ILE 148 C 170 C ? -1.8 VAL 154 C 176 C ? -0.2 LYS 156 C 178 C ? -2.0 LEU 151 C 173 C ? -0.2 +991 LEU 153 C 175 C ? GLY 149 C 171 C ? -0.8 ALA 150 C 172 C ? -0.8 ALA 157 C 179 C ? -2.1 LEU 152 C 174 C ? -0.2 +992 VAL 154 C 176 C ? ALA 150 C 172 C ? -1.3 LYS 156 C 178 C ? -0.2 MET 158 C 180 C ? -2.7 PHE 159 C 181 C ? -0.3 +993 ALA 155 C 177 C ? LEU 151 C 173 C ? -2.7 LYS 156 C 178 C ? -0.2 PHE 159 C 181 C ? -2.9 PHE 160 C 182 C ? -1.2 +994 LYS 156 C 178 C ? LEU 152 C 174 C ? -2.0 PHE 159 C 181 C ? -0.2 GLY 162 C 184 C ? -2.4 PHE 160 C 182 C ? -0.7 +995 ALA 157 C 179 C ? LEU 153 C 175 C ? -2.1 GLY 161 C 183 C ? -0.2 ILE 177 C 199 C ? -2.1 LEU 163 C 185 C ? -0.2 +996 MET 158 C 180 C ? VAL 154 C 176 C ? -2.7 VAL 176 C 198 C ? -0.2 ALA 155 C 177 C ? -0.2 LYS 156 C 178 C ? -0.2 +997 PHE 159 C 181 C ? ALA 155 C 177 C ? -2.9 VAL 154 C 176 C ? -0.3 LYS 156 C 178 C ? -0.2 ALA 157 C 179 C ? -0.1 +998 PHE 160 C 182 C ? ALA 155 C 177 C ? -1.2 LYS 156 C 178 C ? -0.7 PHE 159 C 181 C ? -0.1 MET 158 C 180 C ? -0.1 +999 GLY 161 C 183 C ? MET 158 C 180 C ? -0.1 ALA 157 C 179 C ? -0.1 LEU 163 C 185 C ? -0.2 ALA 157 C 179 C ? -0.2 +1000 GLY 162 C 184 C ? LYS 156 C 178 C ? -2.4 ALA 155 C 177 C ? -0.2 TYR 164 C 186 C ? -0.3 VAL 176 C 198 C ? -0.3 +1001 LEU 163 C 185 C ? ARG 175 C 197 C ? -2.2 ALA 157 C 179 C ? -0.2 ARG 175 C 197 C ? -2.5 ASP 165 C 187 C ? -0.4 +1002 TYR 164 C 186 C ? THR 72 C 94 C ? -2.2 GLY 162 C 184 C ? -0.3 THR 166 C 188 C ? -0.6 VAL 174 C 196 C ? -0.3 +1003 ASP 165 C 187 C ? ASP 173 C 195 C ? -3.2 LEU 163 C 185 C ? -0.4 ASP 173 C 195 C ? -1.6 ALA 168 C 190 C ? -1.5 +1004 THR 166 C 188 C ? TYR 164 C 186 C ? -0.6 THR 273 C 295 C ? -0.4 ASP 165 C 187 C ? -0.1 GLY 171 C 193 C ? -0.1 +1005 TRP 167 C 189 C ? ASP 173 C 195 C ? -0.1 TYR 164 C 186 C ? -0.1 THR 166 C 188 C ? -0.3 GLY 172 C 194 C ? -0.0 +1006 ALA 168 C 190 C ? ASP 165 C 187 C ? -1.5 ASP 173 C 195 C ? -0.2 GLY 171 C 193 C ? -2.0 GLY 172 C 194 C ? -1.1 +1007 PRO 169 C 191 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 168 C 190 C ? -0.1 THR 166 C 188 C ? -0.0 +1008 GLY 170 C 192 C ? GLY 171 C 193 C ? -0.0 ? ? ? ? ? ? ? ALA 168 C 190 C ? -0.1 TRP 167 C 189 C ? -0.0 +1009 GLY 171 C 193 C ? ALA 168 C 190 C ? -2.0 THR 166 C 188 C ? -0.1 ALA 168 C 190 C ? -0.1 TRP 167 C 189 C ? -0.0 +1010 GLY 172 C 194 C ? ALA 168 C 190 C ? -1.1 PRO 79 C 101 C ? -0.1 GLY 80 C 102 C ? -3.4 GLY 81 C 103 C ? -0.3 +1011 ASP 173 C 195 C ? ASP 165 C 187 C ? -1.6 PRO 79 C 101 C ? -0.3 ASP 165 C 187 C ? -3.2 ARG 175 C 197 C ? -0.4 +1012 VAL 174 C 196 C ? GLY 172 C 194 C ? -0.3 TYR 164 C 186 C ? -0.3 VAL 176 C 198 C ? -0.4 TYR 164 C 186 C ? -0.2 +1013 ARG 175 C 197 C ? LEU 163 C 185 C ? -2.5 ASP 173 C 195 C ? -0.4 LEU 163 C 185 C ? -2.2 ILE 177 C 199 C ? -0.3 +1014 VAL 176 C 198 C ? VAL 174 C 196 C ? -0.4 GLY 162 C 184 C ? -0.3 THR 178 C 200 C ? -0.8 MET 158 C 180 C ? -0.2 +1015 ILE 177 C 199 C ? ALA 157 C 179 C ? -2.1 ARG 175 C 197 C ? -0.3 GLY 162 C 184 C ? -0.1 VAL 176 C 198 C ? -0.0 +1016 THR 178 C 200 C ? VAL 176 C 198 C ? -0.8 ASN 179 C 201 C ? -0.2 ILE 177 C 199 C ? -0.2 MET 158 C 180 C ? -0.0 +1017 ASN 179 C 201 C ? THR 181 C 203 C ? -0.0 LEU 182 C 204 C ? -0.0 THR 178 C 200 C ? -0.2 THR 181 C 203 C ? -0.1 +1018 PRO 180 C 202 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 182 C 204 C ? -0.5 ASP 210 C 232 C ? -0.2 +1019 THR 181 C 203 C ? GLU 209 C 231 C ? -1.8 LEU 182 C 204 C ? -0.2 ASN 179 C 201 C ? -0.0 ? ? ? ? ? ? ? +1020 LEU 182 C 204 C ? PRO 180 C 202 C ? -0.5 ILE 216 C 238 C ? -0.1 THR 181 C 203 C ? -0.2 ASP 210 C 232 C ? -0.0 +1021 ASP 183 C 205 C ? PRO 184 C 206 C ? -0.2 ARG 185 C 207 C ? -0.1 ILE 187 C 209 C ? -2.0 VAL 186 C 208 C ? -1.5 +1022 PRO 184 C 206 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 188 C 210 C ? -2.6 GLY 189 C 211 C ? -0.5 +1023 ARG 185 C 207 C ? ILE 187 C 209 C ? -0.2 PHE 188 C 210 C ? -0.2 GLY 189 C 211 C ? -0.1 ASP 183 C 205 C ? -0.1 +1024 VAL 186 C 208 C ? ASP 183 C 205 C ? -1.5 GLY 189 C 211 C ? -0.1 TYR 190 C 212 C ? -1.1 ARG 185 C 207 C ? -0.2 +1025 ILE 187 C 209 C ? ASP 183 C 205 C ? -2.0 PHE 188 C 210 C ? -0.2 TYR 190 C 212 C ? -0.7 LEU 191 C 213 C ? -0.5 +1026 PHE 188 C 210 C ? PRO 184 C 206 C ? -2.6 GLY 189 C 211 C ? -0.2 LEU 192 C 214 C ? -0.7 LEU 191 C 213 C ? -0.5 +1027 GLY 189 C 211 C ? PRO 184 C 206 C ? -0.5 TYR 190 C 212 C ? -0.2 LEU 192 C 214 C ? -0.5 LYS 193 C 215 C ? -0.4 +1028 TYR 190 C 212 C ? VAL 186 C 208 C ? -1.1 ILE 187 C 209 C ? -0.7 LYS 193 C 215 C ? -0.8 GLY 189 C 211 C ? -0.2 +1029 LEU 191 C 213 C ? PHE 188 C 210 C ? -0.5 ILE 187 C 209 C ? -0.5 TYR 190 C 212 C ? -0.2 GLY 189 C 211 C ? -0.2 +1030 LEU 192 C 214 C ? PHE 188 C 210 C ? -0.7 GLY 189 C 211 C ? -0.5 LEU 191 C 213 C ? -0.2 TYR 190 C 212 C ? -0.2 +1031 LYS 193 C 215 C ? TYR 190 C 212 C ? -0.8 GLY 189 C 211 C ? -0.4 ILE 202 C 224 C ? -0.1 GLU 199 C 221 C ? -0.1 +1032 SER 194 C 216 C ? LEU 192 C 214 C ? -0.1 PRO 195 C 217 C ? -0.1 TRP 201 C 223 C ? -2.1 GLY 200 C 222 C ? -0.2 +1033 PRO 195 C 217 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 194 C 216 C ? -0.1 GLY 197 C 219 C ? -0.1 +1034 PHE 196 C 218 C ? GLY 197 C 219 C ? -0.2 GLY 198 C 220 C ? -0.0 GLY 200 C 222 C ? -2.0 GLU 199 C 221 C ? -1.9 +1035 GLY 197 C 219 C ? LEU 81 A 91 A ? -2.7 GLY 198 C 220 C ? -0.2 PHE 83 A 93 A ? -0.4 PHE 196 C 218 C ? -0.2 +1036 GLY 198 C 220 C ? GLU 199 C 221 C ? -0.1 HIS 82 A 92 A ? -0.1 GLY 197 C 219 C ? -0.2 HIS 82 A 92 A ? -0.1 +1037 GLU 199 C 221 C ? PHE 196 C 218 C ? -1.9 LYS 193 C 215 C ? -0.1 GLY 197 C 219 C ? -0.2 SER 204 C 226 C ? -0.1 +1038 GLY 200 C 222 C ? PHE 196 C 218 C ? -2.0 SER 194 C 216 C ? -0.2 VAL 203 C 225 C ? -1.5 SER 204 C 226 C ? -0.4 +1039 TRP 201 C 223 C ? SER 194 C 216 C ? -2.1 ILE 202 C 224 C ? -0.3 SER 204 C 226 C ? -0.9 SER 194 C 216 C ? -0.1 +1040 ILE 202 C 224 C ? VAL 203 C 225 C ? -0.2 SER 204 C 226 C ? -0.1 VAL 205 C 227 C ? -1.6 TRP 201 C 223 C ? -0.3 +1041 VAL 203 C 225 C ? GLY 200 C 222 C ? -1.5 SER 204 C 226 C ? -0.3 ILE 202 C 224 C ? -0.2 TRP 201 C 223 C ? -0.2 +1042 SER 204 C 226 C ? TRP 201 C 223 C ? -0.9 GLY 200 C 222 C ? -0.4 VAL 203 C 225 C ? -0.3 ILE 202 C 224 C ? -0.1 +1043 VAL 205 C 227 C ? ILE 202 C 224 C ? -1.6 GLY 200 C 222 C ? -0.2 VAL 274 C 296 C ? -0.3 THR 273 C 295 C ? -0.3 +1044 ASN 206 C 228 C ? SER 204 C 226 C ? -0.1 THR 273 C 295 C ? -0.1 LEU 208 C 230 C ? -0.3 VAL 205 C 227 C ? -0.1 +1045 ASN 207 C 229 C ? LEU 208 C 230 C ? -0.1 THR 166 C 188 C ? -0.0 VAL 211 C 233 C ? -1.4 ASP 210 C 232 C ? -0.2 +1046 LEU 208 C 230 C ? ASN 206 C 228 C ? -0.3 GLU 209 C 231 C ? -0.2 VAL 212 C 234 C ? -3.4 GLY 213 C 235 C ? -0.3 +1047 GLU 209 C 231 C ? ASP 210 C 232 C ? -0.2 VAL 211 C 233 C ? -0.2 GLY 213 C 235 C ? -2.3 THR 181 C 203 C ? -1.8 +1048 ASP 210 C 232 C ? ASN 207 C 229 C ? -0.2 VAL 212 C 234 C ? -0.2 GLY 214 C 236 C ? -2.2 LEU 208 C 230 C ? -0.2 +1049 VAL 211 C 233 C ? ASN 207 C 229 C ? -1.4 GLY 213 C 235 C ? -0.2 HIS 215 C 237 C ? -1.4 GLU 209 C 231 C ? -0.2 +1050 VAL 212 C 234 C ? LEU 208 C 230 C ? -3.4 GLY 213 C 235 C ? -0.2 ILE 216 C 238 C ? -1.5 HIS 215 C 237 C ? -0.3 +1051 GLY 213 C 235 C ? GLU 209 C 231 C ? -2.3 LEU 208 C 230 C ? -0.3 TRP 217 C 239 C ? -1.9 VAL 212 C 234 C ? -0.2 +1052 GLY 214 C 236 C ? ASP 210 C 232 C ? -2.2 HIS 215 C 237 C ? -0.2 ILE 218 C 240 C ? -2.2 GLY 213 C 235 C ? -0.2 +1053 HIS 215 C 237 C ? VAL 211 C 233 C ? -1.4 VAL 212 C 234 C ? -0.3 GLY 219 C 241 C ? -2.4 GLY 214 C 236 C ? -0.2 +1054 ILE 216 C 238 C ? VAL 212 C 234 C ? -1.5 ILE 218 C 240 C ? -0.2 LEU 220 C 242 C ? -2.1 ILE 221 C 243 C ? -0.2 +1055 TRP 217 C 239 C ? GLY 213 C 235 C ? -1.9 ILE 218 C 240 C ? -0.2 ILE 221 C 243 C ? -2.6 HIS 215 C 237 C ? -0.2 +1056 ILE 218 C 240 C ? GLY 214 C 236 C ? -2.2 GLY 219 C 241 C ? -0.2 CYS 222 C 244 C ? -2.3 TRP 217 C 239 C ? -0.2 +1057 GLY 219 C 241 C ? HIS 215 C 237 C ? -2.4 ILE 221 C 243 C ? -0.2 ILE 223 C 245 C ? -2.0 ILE 218 C 240 C ? -0.2 +1058 LEU 220 C 242 C ? ILE 216 C 238 C ? -2.1 CYS 222 C 244 C ? -0.2 ALA 224 C 246 C ? -2.8 GLY 225 C 247 C ? -0.2 +1059 ILE 221 C 243 C ? TRP 217 C 239 C ? -2.6 CYS 222 C 244 C ? -0.2 GLY 225 C 247 C ? -2.9 GLY 219 C 241 C ? -0.2 +1060 CYS 222 C 244 C ? ILE 218 C 240 C ? -2.3 ALA 224 C 246 C ? -0.2 GLY 226 C 248 C ? -2.4 ILE 221 C 243 C ? -0.2 +1061 ILE 223 C 245 C ? GLY 219 C 241 C ? -2.0 GLY 225 C 247 C ? -0.2 ILE 227 C 249 C ? -2.2 ILE 221 C 243 C ? -0.2 +1062 ALA 224 C 246 C ? LEU 220 C 242 C ? -2.8 GLY 226 C 248 C ? -0.2 TRP 228 C 250 C ? -2.7 CYS 222 C 244 C ? -0.2 +1063 GLY 225 C 247 C ? ILE 221 C 243 C ? -2.9 GLY 226 C 248 C ? -0.2 HIS 229 C 251 C ? -2.4 ILE 223 C 245 C ? -0.2 +1064 GLY 226 C 248 C ? CYS 222 C 244 C ? -2.4 TRP 228 C 250 C ? -0.2 ILE 230 C 252 C ? -1.4 ALA 224 C 246 C ? -0.2 +1065 ILE 227 C 249 C ? ILE 223 C 245 C ? -2.2 HIS 229 C 251 C ? -0.2 LEU 231 C 253 C ? -2.4 ILE 230 C 252 C ? -0.6 +1066 TRP 228 C 250 C ? ALA 224 C 246 C ? -2.7 HIS 229 C 251 C ? -0.2 THR 232 C 254 C ? -1.5 GLY 226 C 248 C ? -0.2 +1067 HIS 229 C 251 C ? GLY 225 C 247 C ? -2.4 LEU 231 C 253 C ? -0.2 TRP 228 C 250 C ? -0.2 ILE 227 C 249 C ? -0.2 +1068 ILE 230 C 252 C ? GLY 226 C 248 C ? -1.4 ILE 227 C 249 C ? -0.6 HIS 229 C 251 C ? -0.2 TRP 228 C 250 C ? -0.2 +1069 LEU 231 C 253 C ? ILE 227 C 249 C ? -2.4 GLY 226 C 248 C ? -0.1 HIS 229 C 251 C ? -0.2 THR 233 C 255 C ? -0.2 +1070 THR 232 C 254 C ? TRP 228 C 250 C ? -1.5 ILE 227 C 249 C ? -0.2 THR 136 C 158 C ? -0.1 THR 137 C 159 C ? -0.0 +1071 THR 233 C 255 C ? LEU 231 C 253 C ? -0.2 THR 136 C 158 C ? -0.1 ASN 133 C 155 C ? -0.1 ILE 230 C 252 C ? -0.0 +1072 PRO 234 C 256 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 236 C 258 C ? -0.1 ASN 133 C 155 C ? -0.1 +1073 PHE 235 C 257 C ? GLY 236 C 258 C ? -0.1 ARG 239 C 261 C ? -0.0 ARG 239 C 261 C ? -2.5 ALA 238 C 260 C ? -0.9 +1074 GLY 236 C 258 C ? TRP 237 C 259 C ? -0.3 ALA 238 C 260 C ? -0.2 ARG 240 C 262 C ? -2.4 ALA 241 C 263 C ? -0.2 +1075 TRP 237 C 259 C ? ALA 238 C 260 C ? -0.2 ARG 239 C 261 C ? -0.2 ALA 241 C 263 C ? -0.5 GLY 236 C 258 C ? -0.3 +1076 ALA 238 C 260 C ? PHE 235 C 257 C ? -0.9 ARG 240 C 262 C ? -0.2 PHE 242 C 264 C ? -1.2 ALA 241 C 263 C ? -0.8 +1077 ARG 239 C 261 C ? PHE 235 C 257 C ? -2.5 ARG 240 C 262 C ? -0.3 PHE 242 C 264 C ? -0.4 TRP 237 C 259 C ? -0.2 +1078 ARG 240 C 262 C ? GLY 236 C 258 C ? -2.4 ALA 241 C 263 C ? -0.2 ARG 239 C 261 C ? -0.3 ALA 29 H 29 I ? -0.2 +1079 ALA 241 C 263 C ? ALA 238 C 260 C ? -0.8 TRP 237 C 259 C ? -0.5 ILE 243 C 265 C ? -0.3 ARG 240 C 262 C ? -0.2 +1080 PHE 242 C 264 C ? ALA 238 C 260 C ? -1.2 ARG 239 C 261 C ? -0.4 TRP 244 C 266 C ? -0.4 ALA 248 C 270 C ? -0.0 +1081 ILE 243 C 265 C ? ALA 241 C 263 C ? -0.3 SER 245 C 267 C ? -0.1 SER 245 C 267 C ? -0.8 ARG 427 C 449 C ? -0.1 +1082 TRP 244 C 266 C ? PHE 242 C 264 C ? -0.4 GLU 38 H 38 I ? -0.1 GLY 246 C 268 C ? -0.3 GLU 247 C 269 C ? -0.1 +1083 SER 245 C 267 C ? ILE 243 C 265 C ? -0.8 GLY 246 C 268 C ? -0.1 TYR 249 C 271 C ? -2.4 LEU 250 C 272 C ? -0.2 +1084 GLY 246 C 268 C ? TRP 244 C 266 C ? -0.3 GLU 247 C 269 C ? -0.2 LEU 250 C 272 C ? -2.1 SER 251 C 273 C ? -0.1 +1085 GLU 247 C 269 C ? ALA 248 C 270 C ? -0.2 TYR 249 C 271 C ? -0.2 SER 251 C 273 C ? -2.2 GLY 246 C 268 C ? -0.2 +1086 ALA 248 C 270 C ? LEU 250 C 272 C ? -0.2 TYR 249 C 271 C ? -0.2 TYR 252 C 274 C ? -2.2 GLU 247 C 269 C ? -0.2 +1087 TYR 249 C 271 C ? SER 245 C 267 C ? -2.4 LEU 250 C 272 C ? -0.2 SER 253 C 275 C ? -1.7 GLU 247 C 269 C ? -0.2 +1088 LEU 250 C 272 C ? GLY 246 C 268 C ? -2.1 SER 251 C 273 C ? -0.2 LEU 254 C 276 C ? -2.1 TYR 249 C 271 C ? -0.2 +1089 SER 251 C 273 C ? GLU 247 C 269 C ? -2.2 TYR 252 C 274 C ? -0.2 GLY 255 C 277 C ? -1.9 TYR 249 C 271 C ? -0.2 +1090 TYR 252 C 274 C ? ALA 248 C 270 C ? -2.2 SER 253 C 275 C ? -0.2 ALA 256 C 278 C ? -1.8 SER 251 C 273 C ? -0.2 +1091 SER 253 C 275 C ? TYR 249 C 271 C ? -1.7 GLY 255 C 277 C ? -0.2 LEU 257 C 279 C ? -3.0 TYR 252 C 274 C ? -0.2 +1092 LEU 254 C 276 C ? LEU 250 C 272 C ? -2.1 ALA 256 C 278 C ? -0.2 SER 258 C 280 C ? -2.0 HIS 419 C 441 C ? -0.2 +1093 GLY 255 C 277 C ? SER 251 C 273 C ? -1.9 LEU 257 C 279 C ? -0.2 MET 259 C 281 C ? -2.1 SER 253 C 275 C ? -0.2 +1094 ALA 256 C 278 C ? TYR 252 C 274 C ? -1.8 LEU 257 C 279 C ? -0.2 MET 260 C 282 C ? -2.5 LEU 254 C 276 C ? -0.2 +1095 LEU 257 C 279 C ? SER 253 C 275 C ? -3.0 SER 258 C 280 C ? -0.2 GLY 261 C 283 C ? -2.7 ALA 256 C 278 C ? -0.2 +1096 SER 258 C 280 C ? LEU 254 C 276 C ? -2.0 MET 260 C 282 C ? -0.2 PHE 262 C 284 C ? -2.0 LEU 257 C 279 C ? -0.2 +1097 MET 259 C 281 C ? GLY 255 C 277 C ? -2.1 MET 260 C 282 C ? -0.2 ILE 263 C 285 C ? -1.8 LEU 257 C 279 C ? -0.2 +1098 MET 260 C 282 C ? ALA 256 C 278 C ? -2.5 GLY 261 C 283 C ? -0.2 ALA 264 C 286 C ? -2.8 MET 259 C 281 C ? -0.2 +1099 GLY 261 C 283 C ? LEU 257 C 279 C ? -2.7 PHE 262 C 284 C ? -0.2 THR 265 C 287 C ? -1.7 MET 259 C 281 C ? -0.2 +1100 PHE 262 C 284 C ? SER 258 C 280 C ? -2.0 ALA 264 C 286 C ? -0.2 CYS 266 C 288 C ? -1.6 GLY 261 C 283 C ? -0.2 +1101 ILE 263 C 285 C ? MET 259 C 281 C ? -1.8 ALA 264 C 286 C ? -0.2 PHE 267 C 289 C ? -2.6 GLY 261 C 283 C ? -0.2 +1102 ALA 264 C 286 C ? MET 260 C 282 C ? -2.8 THR 265 C 287 C ? -0.2 VAL 268 C 290 C ? -2.3 TRP 269 C 291 C ? -0.2 +1103 THR 265 C 287 C ? GLY 261 C 283 C ? -1.7 CYS 266 C 288 C ? -0.2 TRP 269 C 291 C ? -1.3 ALA 264 C 286 C ? -0.2 +1104 CYS 266 C 288 C ? PHE 262 C 284 C ? -1.6 VAL 268 C 290 C ? -0.2 PHE 270 C 292 C ? -2.1 ASN 271 C 293 C ? -0.5 +1105 PHE 267 C 289 C ? ILE 263 C 285 C ? -2.6 VAL 268 C 290 C ? -0.2 ASN 271 C 293 C ? -2.3 THR 265 C 287 C ? -0.2 +1106 VAL 268 C 290 C ? ALA 264 C 286 C ? -2.3 TRP 269 C 291 C ? -0.2 PHE 267 C 289 C ? -0.2 CYS 266 C 288 C ? -0.2 +1107 TRP 269 C 291 C ? THR 265 C 287 C ? -1.3 ALA 264 C 286 C ? -0.2 GLY 284 C 306 C ? -0.6 VAL 268 C 290 C ? -0.2 +1108 PHE 270 C 292 C ? CYS 266 C 288 C ? -2.1 PHE 267 C 289 C ? -0.2 ASN 272 C 294 C ? -0.4 PHE 267 C 289 C ? -0.2 +1109 ASN 271 C 293 C ? PHE 267 C 289 C ? -2.3 CYS 266 C 288 C ? -0.5 SER 204 C 226 C ? -0.1 ASN 206 C 228 C ? -0.1 +1110 ASN 272 C 294 C ? PHE 270 C 292 C ? -0.4 ARG 340 C 362 C ? -0.2 SER 277 C 299 C ? -0.6 ASN 271 C 293 C ? -0.1 +1111 THR 273 C 295 C ? VAL 205 C 227 C ? -0.3 PRO 276 C 298 C ? -0.2 THR 166 C 188 C ? -0.4 ASN 206 C 228 C ? -0.1 +1112 VAL 274 C 296 C ? VAL 205 C 227 C ? -0.3 TYR 275 C 297 C ? -0.3 ASN 272 C 294 C ? -0.1 THR 72 C 94 C ? -0.1 +1113 TYR 275 C 297 C ? PHE 267 C 289 C ? -0.1 THR 72 C 94 C ? -0.0 VAL 274 C 296 C ? -0.3 HIS 69 C 91 C ? -0.1 +1114 PRO 276 C 298 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 280 C 302 C ? -2.7 PHE 279 C 301 C ? -1.3 +1115 SER 277 C 299 C ? ASN 272 C 294 C ? -0.6 GLU 278 C 300 C ? -0.3 GLY 281 C 303 C ? -1.7 TYR 60 C 82 C ? -0.1 +1116 GLU 278 C 300 C ? PHE 279 C 301 C ? -0.2 TYR 280 C 302 C ? -0.2 MET 59 C 81 C ? -0.4 TYR 60 C 82 C ? -0.3 +1117 PHE 279 C 301 C ? PRO 276 C 298 C ? -1.3 GLY 281 C 303 C ? -0.2 SER 277 C 299 C ? -0.2 GLU 278 C 300 C ? -0.2 +1118 TYR 280 C 302 C ? PRO 276 C 298 C ? -2.7 GLY 281 C 303 C ? -0.2 ARG 401 C 423 C ? -0.8 SER 277 C 299 C ? -0.2 +1119 GLY 281 C 303 C ? SER 277 C 299 C ? -1.7 PRO 276 C 298 C ? -0.3 TYR 280 C 302 C ? -0.2 PHE 279 C 301 C ? -0.2 +1120 PRO 282 C 304 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 401 C 423 C ? -0.2 GLY 284 C 306 C ? -0.0 +1121 THR 283 C 305 C ? PHE 270 C 292 C ? -0.1 GLY 284 C 306 C ? -0.1 ALA 287 C 309 C ? -2.6 SER 288 C 310 C ? -0.2 +1122 GLY 284 C 306 C ? TRP 269 C 291 C ? -0.6 GLU 286 C 308 C ? -0.2 SER 288 C 310 C ? -2.2 GLN 289 C 311 C ? -0.2 +1123 PRO 285 C 307 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLN 289 C 311 C ? -2.5 ALA 290 C 312 C ? -0.2 +1124 GLU 286 C 308 C ? SER 288 C 310 C ? -0.2 ALA 287 C 309 C ? -0.2 ALA 290 C 312 C ? -2.4 GLY 284 C 306 C ? -0.2 +1125 ALA 287 C 309 C ? THR 283 C 305 C ? -2.6 GLN 289 C 311 C ? -0.2 GLN 291 C 313 C ? -1.3 GLU 286 C 308 C ? -0.2 +1126 SER 288 C 310 C ? GLY 284 C 306 C ? -2.2 GLN 289 C 311 C ? -0.2 ALA 292 C 314 C ? -1.4 GLN 291 C 313 C ? -0.7 +1127 GLN 289 C 311 C ? PRO 285 C 307 C ? -2.5 ALA 290 C 312 C ? -0.2 MET 293 C 315 C ? -2.2 SER 288 C 310 C ? -0.2 +1128 ALA 290 C 312 C ? GLU 286 C 308 C ? -2.4 GLN 291 C 313 C ? -0.2 THR 294 C 316 C ? -2.0 GLN 289 C 311 C ? -0.2 +1129 GLN 291 C 313 C ? ALA 287 C 309 C ? -1.3 SER 288 C 310 C ? -0.7 PHE 295 C 317 C ? -1.9 ALA 290 C 312 C ? -0.2 +1130 ALA 292 C 314 C ? SER 288 C 310 C ? -1.4 MET 293 C 315 C ? -0.2 LEU 296 C 318 C ? -1.9 ALA 290 C 312 C ? -0.2 +1131 MET 293 C 315 C ? GLN 289 C 311 C ? -2.2 THR 294 C 316 C ? -0.2 ILE 297 C 319 C ? -2.4 ALA 292 C 314 C ? -0.2 +1132 THR 294 C 316 C ? ALA 290 C 312 C ? -2.0 PHE 295 C 317 C ? -0.2 ARG 298 C 320 C ? -2.2 MET 293 C 315 C ? -0.2 +1133 PHE 295 C 317 C ? GLN 291 C 313 C ? -1.9 ILE 297 C 319 C ? -0.2 ASP 299 C 321 C ? -2.2 THR 294 C 316 C ? -0.2 +1134 LEU 296 C 318 C ? ALA 292 C 314 C ? -1.9 GLN 291 C 313 C ? -0.2 GLN 300 C 322 C ? -2.5 PHE 295 C 317 C ? -0.2 +1135 ILE 297 C 319 C ? MET 293 C 315 C ? -2.4 ASP 299 C 321 C ? -0.2 LYS 301 C 323 C ? -2.1 PHE 295 C 317 C ? -0.2 +1136 ARG 298 C 320 C ? THR 294 C 316 C ? -2.2 ASP 299 C 321 C ? -0.2 LEU 302 C 324 C ? -1.0 ILE 297 C 319 C ? -0.2 +1137 ASP 299 C 321 C ? PHE 295 C 317 C ? -2.2 GLN 300 C 322 C ? -0.2 ALA 304 C 326 C ? -2.2 GLY 303 C 325 C ? -0.3 +1138 GLN 300 C 322 C ? LEU 296 C 318 C ? -2.5 LYS 301 C 323 C ? -0.2 GLY 303 C 325 C ? -1.4 ASP 299 C 321 C ? -0.2 +1139 LYS 301 C 323 C ? ILE 297 C 319 C ? -2.1 LEU 302 C 324 C ? -0.3 GLN 300 C 322 C ? -0.2 ASP 299 C 321 C ? -0.2 +1140 LEU 302 C 324 C ? ARG 298 C 320 C ? -1.0 ASP 299 C 321 C ? -0.2 LYS 301 C 323 C ? -0.3 GLN 300 C 322 C ? -0.2 +1141 GLY 303 C 325 C ? GLN 300 C 322 C ? -1.4 ASP 299 C 321 C ? -0.3 GLN 300 C 322 C ? -0.2 ASN 305 C 327 C ? -0.2 +1142 ALA 304 C 326 C ? ASP 299 C 321 C ? -2.2 LEU 296 C 318 C ? -0.1 VAL 306 C 328 C ? -1.0 GLY 303 C 325 C ? -0.3 +1143 ASN 305 C 327 C ? GLY 303 C 325 C ? -0.2 VAL 306 C 328 C ? -0.1 ALA 309 C 331 C ? -0.7 SER 308 C 330 C ? -0.6 +1144 VAL 306 C 328 C ? ALA 304 C 326 C ? -1.0 GLY 307 C 329 C ? -0.2 LEU 319 C 341 C ? -0.6 TYR 318 C 340 C ? -0.5 +1145 GLY 307 C 329 C ? SER 308 C 330 C ? -0.2 TYR 318 C 340 C ? -0.1 VAL 306 C 328 C ? -0.2 LEU 319 C 341 C ? -0.1 +1146 SER 308 C 330 C ? ASN 305 C 327 C ? -0.6 ILE 98 M 101 O ? -0.2 GLN 310 C 332 C ? -0.7 GLY 307 C 329 C ? -0.2 +1147 ALA 309 C 331 C ? ASN 305 C 327 C ? -0.7 VAL 306 C 328 C ? -0.2 LYS 317 C 339 C ? -2.5 TYR 318 C 340 C ? -0.5 +1148 GLN 310 C 332 C ? SER 308 C 330 C ? -0.7 GLY 316 C 338 C ? -0.2 GLY 316 C 338 C ? -0.2 LEU 315 C 337 C ? -0.1 +1149 GLY 311 C 333 C ? LEU 315 C 337 C ? -2.6 ALA 309 C 331 C ? -0.3 GLY 314 C 336 C ? -2.0 THR 150 M 153 O ? -0.3 +1150 PRO 312 C 334 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 150 M 153 O ? -1.0 PHE 153 M 156 O ? -0.2 +1151 THR 313 C 335 C ? LEU 315 C 337 C ? -0.2 ASN 325 A 335 A ? -0.2 GLY 316 C 338 C ? -0.1 ALA 326 A 336 A ? -0.0 +1152 GLY 314 C 336 C ? GLY 311 C 333 C ? -2.0 LEU 315 C 337 C ? -0.6 GLY 316 C 338 C ? -0.1 LYS 317 C 339 C ? -0.1 +1153 LEU 315 C 337 C ? GLY 316 C 338 C ? -0.1 ILE 53 A 63 A ? -0.1 GLY 311 C 333 C ? -2.6 GLY 314 C 336 C ? -0.6 +1154 GLY 316 C 338 C ? GLN 310 C 332 C ? -0.2 LEU 319 C 341 C ? -0.2 GLY 331 C 353 C ? -0.4 GLN 310 C 332 C ? -0.2 +1155 LYS 317 C 339 C ? ALA 309 C 331 C ? -2.5 VAL 306 C 328 C ? -0.1 GLY 316 C 338 C ? -0.1 GLN 310 C 332 C ? -0.1 +1156 TYR 318 C 340 C ? ALA 309 C 331 C ? -0.5 VAL 306 C 328 C ? -0.5 GLY 330 C 352 C ? -2.5 MET 320 C 342 C ? -0.4 +1157 LEU 319 C 341 C ? VAL 306 C 328 C ? -0.6 ALA 309 C 331 C ? -0.3 TYR 318 C 340 C ? -0.3 ARG 321 C 343 C ? -0.2 +1158 MET 320 C 342 C ? ILE 328 C 350 C ? -2.6 TYR 318 C 340 C ? -0.4 ILE 328 C 350 C ? -3.1 SER 322 C 344 C ? -0.3 +1159 ARG 321 C 343 C ? LEU 319 C 341 C ? -0.2 ILE 327 C 349 C ? -0.2 ILE 327 C 349 C ? -0.2 GLU 326 C 348 C ? -0.1 +1160 SER 322 C 344 C ? GLU 326 C 348 C ? -2.3 MET 320 C 342 C ? -0.3 GLY 325 C 347 C ? -2.3 ILE 79 A 89 A ? -0.1 +1161 PRO 323 C 345 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 71 M 74 O ? -1.6 SER 322 C 344 C ? -0.1 +1162 THR 324 C 346 C ? ARG 70 M 73 O ? -0.1 GLU 326 C 348 C ? -0.1 ASN 14 M 17 O ? -0.5 ALA 13 M 16 O ? -0.4 +1163 GLY 325 C 347 C ? SER 322 C 344 C ? -2.3 GLU 326 C 348 C ? -0.3 ILE 327 C 349 C ? -0.1 VAL 8 M 11 O ? -0.0 +1164 GLU 326 C 348 C ? ARG 321 C 343 C ? -0.1 ILE 327 C 349 C ? -0.1 SER 322 C 344 C ? -2.3 ILE 328 C 350 C ? -0.5 +1165 ILE 327 C 349 C ? ASN 351 C 373 C ? -2.7 ARG 321 C 343 C ? -0.2 LEU 353 C 375 C ? -2.5 PHE 329 C 351 C ? -0.3 +1166 ILE 328 C 350 C ? MET 320 C 342 C ? -3.1 GLU 326 C 348 C ? -0.5 MET 320 C 342 C ? -2.6 GLY 330 C 352 C ? -0.1 +1167 PHE 329 C 351 C ? ILE 327 C 349 C ? -0.3 LEU 319 C 341 C ? -0.2 LEU 319 C 341 C ? -0.3 PHE 336 C 358 C ? -0.1 +1168 GLY 330 C 352 C ? TYR 318 C 340 C ? -2.5 ILE 328 C 350 C ? -0.1 THR 333 C 355 C ? -0.4 GLU 332 C 354 C ? -0.2 +1169 GLY 331 C 353 C ? GLY 316 C 338 C ? -0.4 GLU 332 C 354 C ? -0.2 MET 334 C 356 C ? -1.9 HIS 327 A 337 A ? -0.2 +1170 GLU 332 C 354 C ? ALA 326 A 336 A ? -0.4 THR 333 C 355 C ? -0.3 ARG 335 C 357 C ? -1.6 GLY 331 C 353 C ? -0.2 +1171 THR 333 C 355 C ? GLY 330 C 352 C ? -0.4 MET 334 C 356 C ? -0.3 PHE 336 C 358 C ? -2.8 GLU 332 C 354 C ? -0.3 +1172 MET 334 C 356 C ? GLY 331 C 353 C ? -1.9 ARG 335 C 357 C ? -0.3 TRP 337 C 359 C ? -1.2 THR 333 C 355 C ? -0.3 +1173 ARG 335 C 357 C ? GLU 332 C 354 C ? -1.6 PHE 336 C 358 C ? -0.2 LEU 81 A 91 A ? -0.4 MET 334 C 356 C ? -0.3 +1174 PHE 336 C 358 C ? THR 333 C 355 C ? -2.8 TRP 337 C 359 C ? -0.1 PHE 339 C 361 C ? -2.5 ARG 335 C 357 C ? -0.2 +1175 TRP 337 C 359 C ? MET 334 C 356 C ? -1.2 ASP 338 C 360 C ? -0.3 PHE 336 C 358 C ? -0.1 ARG 335 C 357 C ? -0.1 +1176 ASP 338 C 360 C ? ARG 335 C 357 C ? -0.2 ARG 340 C 362 C ? -0.0 TRP 337 C 359 C ? -0.3 PHE 336 C 358 C ? -0.1 +1177 PHE 339 C 361 C ? PHE 336 C 358 C ? -2.5 PRO 285 C 307 C ? -0.1 GLY 341 C 363 C ? -0.4 PHE 336 C 358 C ? -0.0 +1178 ARG 340 C 362 C ? ASP 338 C 360 C ? -0.0 LEU 344 C 366 C ? -0.0 ASN 272 C 294 C ? -0.2 GLU 286 C 308 C ? -0.1 +1179 GLY 341 C 363 C ? PHE 339 C 361 C ? -0.4 PRO 342 C 364 C ? -0.1 GLU 345 C 367 C ? -2.0 LEU 344 C 366 C ? -1.5 +1180 PRO 342 C 364 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 341 C 363 C ? -0.1 GLY 172 C 194 C ? -0.0 +1181 TRP 343 C 365 C ? LEU 344 C 366 C ? -0.2 GLU 345 C 367 C ? -0.1 ALA 370 C 392 C ? -0.1 ARG 369 C 391 C ? -0.1 +1182 LEU 344 C 366 C ? GLY 341 C 363 C ? -1.5 PRO 346 C 368 C ? -0.1 LEU 347 C 369 C ? -1.9 ARG 348 C 370 C ? -0.3 +1183 GLU 345 C 367 C ? GLY 341 C 363 C ? -2.0 PRO 346 C 368 C ? -0.3 ARG 348 C 370 C ? -2.4 TRP 343 C 365 C ? -0.1 +1184 PRO 346 C 368 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 345 C 367 C ? -0.3 LEU 344 C 366 C ? -0.1 +1185 LEU 347 C 369 C ? LEU 344 C 366 C ? -1.9 GLY 349 C 371 C ? -0.1 ASP 354 C 376 C ? -2.8 GLY 349 C 371 C ? -0.3 +1186 ARG 348 C 370 C ? GLU 345 C 367 C ? -2.4 LEU 344 C 366 C ? -0.3 LEU 353 C 375 C ? -0.2 TYR 4 M 7 O ? -0.1 +1187 GLY 349 C 371 C ? GLY 352 C 374 C ? -3.2 LEU 347 C 369 C ? -0.3 GLY 352 C 374 C ? -2.0 THR 3 M 6 O ? -0.1 +1188 PRO 350 C 372 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 7 M 10 O ? -0.1 LEU 353 C 375 C ? -0.1 +1189 ASN 351 C 373 C ? GLY 352 C 374 C ? -0.3 GLU 326 C 348 C ? -0.1 ILE 327 C 349 C ? -2.7 LEU 353 C 375 C ? -0.3 +1190 GLY 352 C 374 C ? GLY 349 C 371 C ? -2.0 GLU 326 C 348 C ? -0.3 GLY 349 C 371 C ? -3.2 ASN 351 C 373 C ? -0.3 +1191 LEU 353 C 375 C ? ILE 327 C 349 C ? -2.5 ASN 351 C 373 C ? -0.3 LEU 355 C 377 C ? -0.5 ARG 348 C 370 C ? -0.2 +1192 ASP 354 C 376 C ? LEU 347 C 369 C ? -2.8 LEU 355 C 377 C ? -0.1 ILE 358 C 380 C ? -2.2 LYS 359 C 381 C ? -0.1 +1193 LEU 355 C 377 C ? LEU 353 C 375 C ? -0.5 ASN 356 C 378 C ? -0.2 LYS 359 C 381 C ? -2.4 ASP 354 C 376 C ? -0.1 +1194 ASN 356 C 378 C ? ILE 358 C 380 C ? -0.2 LYS 357 C 379 C ? -0.2 ASN 360 C 382 C ? -1.7 ASP 361 C 383 C ? -0.3 +1195 LYS 357 C 379 C ? LYS 359 C 381 C ? -0.2 ILE 358 C 380 C ? -0.2 ASP 361 C 383 C ? -2.3 ILE 362 C 384 C ? -0.3 +1196 ILE 358 C 380 C ? ASP 354 C 376 C ? -2.2 LEU 347 C 369 C ? -0.2 ILE 362 C 384 C ? -0.5 ASN 356 C 378 C ? -0.2 +1197 LYS 359 C 381 C ? LEU 355 C 377 C ? -2.4 ASP 354 C 376 C ? -0.1 LYS 357 C 379 C ? -0.2 ILE 358 C 380 C ? -0.2 +1198 ASN 360 C 382 C ? ASN 356 C 378 C ? -1.7 LEU 355 C 377 C ? -0.1 LYS 357 C 379 C ? -0.2 ILE 358 C 380 C ? -0.2 +1199 ASP 361 C 383 C ? LYS 357 C 379 C ? -2.3 ASN 356 C 378 C ? -0.3 GLN 363 C 385 C ? -0.6 ILE 358 C 380 C ? -0.2 +1200 ILE 362 C 384 C ? ILE 358 C 380 C ? -0.5 LYS 357 C 379 C ? -0.3 ILE 358 C 380 C ? -0.0 LEU 347 C 369 C ? -0.0 +1201 GLN 363 C 385 C ? ASP 361 C 383 C ? -0.6 PRO 364 C 386 C ? -0.1 GLU 367 C 389 C ? -1.3 GLN 366 C 388 C ? -0.9 +1202 PRO 364 C 386 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 368 C 390 C ? -2.6 ARG 369 C 391 C ? -0.2 +1203 TRP 365 C 387 C ? GLN 366 C 388 C ? -0.2 GLU 367 C 389 C ? -0.2 ARG 369 C 391 C ? -2.4 ALA 370 C 392 C ? -0.1 +1204 GLN 366 C 388 C ? GLN 363 C 385 C ? -0.9 ARG 368 C 390 C ? -0.2 ALA 370 C 392 C ? -2.4 TRP 365 C 387 C ? -0.2 +1205 GLU 367 C 389 C ? GLN 363 C 385 C ? -1.3 ARG 369 C 391 C ? -0.2 ALA 371 C 393 C ? -2.0 TRP 365 C 387 C ? -0.2 +1206 ARG 368 C 390 C ? PRO 364 C 386 C ? -2.6 ALA 370 C 392 C ? -0.2 GLU 372 C 394 C ? -2.5 GLN 366 C 388 C ? -0.2 +1207 ARG 369 C 391 C ? TRP 365 C 387 C ? -2.4 ALA 370 C 392 C ? -0.2 TYR 373 C 395 C ? -2.6 MET 374 C 396 C ? -0.2 +1208 ALA 370 C 392 C ? GLN 366 C 388 C ? -2.4 GLU 372 C 394 C ? -0.2 MET 374 C 396 C ? -2.5 ARG 369 C 391 C ? -0.2 +1209 ALA 371 C 393 C ? GLU 367 C 389 C ? -2.0 TYR 373 C 395 C ? -0.2 THR 375 C 397 C ? -1.6 ARG 369 C 391 C ? -0.2 +1210 GLU 372 C 394 C ? ARG 368 C 390 C ? -2.5 MET 374 C 396 C ? -0.2 ALA 370 C 392 C ? -0.2 ALA 371 C 393 C ? -0.2 +1211 TYR 373 C 395 C ? ARG 369 C 391 C ? -2.6 MET 374 C 396 C ? -0.2 HIS 376 C 398 C ? -1.0 ALA 371 C 393 C ? -0.2 +1212 MET 374 C 396 C ? ALA 370 C 392 C ? -2.5 THR 375 C 397 C ? -0.2 ALA 377 C 399 C ? -0.7 TYR 373 C 395 C ? -0.2 +1213 THR 375 C 397 C ? ALA 371 C 393 C ? -1.6 HIS 376 C 398 C ? -0.2 MET 374 C 396 C ? -0.2 TYR 373 C 395 C ? -0.2 +1214 HIS 376 C 398 C ? TYR 373 C 395 C ? -1.0 GLU 372 C 394 C ? -0.1 THR 375 C 397 C ? -0.2 MET 374 C 396 C ? -0.2 +1215 ALA 377 C 399 C ? MET 374 C 396 C ? -0.7 PRO 378 C 400 C ? -0.1 LEU 379 C 401 C ? -2.7 GLY 387 C 409 C ? -0.3 +1216 PRO 378 C 400 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 380 C 402 C ? -0.4 ALA 377 C 399 C ? -0.1 +1217 LEU 379 C 401 C ? ALA 377 C 399 C ? -2.7 VAL 388 C 410 C ? -0.1 GLY 387 C 409 C ? -2.6 SER 381 C 403 C ? -0.3 +1218 GLY 380 C 402 C ? ASN 286 A 296 A ? -1.6 PRO 378 C 400 C ? -0.4 ASN 288 A 298 A ? -2.7 GLY 386 C 408 C ? -0.2 +1219 SER 381 C 403 C ? VAL 385 C 407 C ? -1.8 LEU 379 C 401 C ? -0.3 SER 384 C 406 C ? -2.4 GLY 289 A 299 A ? -0.2 +1220 LEU 382 C 404 C ? ASN 288 A 298 A ? -1.9 ASN 383 C 405 C ? -0.3 PHE 290 A 300 A ? -0.1 GLY 289 A 299 A ? -0.1 +1221 ASN 383 C 405 C ? GLY 289 A 299 A ? -0.2 ASN 288 A 298 A ? -0.1 LEU 382 C 404 C ? -0.3 GLY 289 A 299 A ? -0.1 +1222 SER 384 C 406 C ? SER 381 C 403 C ? -2.4 VAL 385 C 407 C ? -0.2 PHE 397 C 419 C ? -1.0 GLY 386 C 408 C ? -0.7 +1223 VAL 385 C 407 C ? ASN 396 C 418 C ? -0.2 GLY 387 C 409 C ? -0.1 SER 381 C 403 C ? -1.8 SER 384 C 406 C ? -0.2 +1224 GLY 386 C 408 C ? VAL 395 C 417 C ? -3.2 SER 384 C 406 C ? -0.7 VAL 395 C 417 C ? -0.3 GLY 380 C 402 C ? -0.3 +1225 GLY 387 C 409 C ? LEU 379 C 401 C ? -2.6 ALA 377 C 399 C ? -0.3 VAL 385 C 407 C ? -0.1 THR 375 C 397 C ? -0.0 +1226 VAL 388 C 410 C ? GLY 386 C 408 C ? -0.2 ALA 389 C 411 C ? -0.1 GLU 391 C 413 C ? -1.9 SER 381 C 403 C ? -0.1 +1227 ALA 389 C 411 C ? GLU 179 A 189 A ? -0.5 THR 390 C 412 C ? -0.3 GLU 179 A 189 A ? -0.1 VAL 388 C 410 C ? -0.1 +1228 THR 390 C 412 C ? ALA 178 A 188 A ? -0.2 ASN 315 A 325 A ? -0.1 ALA 389 C 411 C ? -0.3 LEU 316 A 326 A ? -0.1 +1229 GLU 391 C 413 C ? VAL 388 C 410 C ? -1.9 VAL 385 C 407 C ? -0.1 ASN 293 A 303 A ? -0.3 ASN 393 C 415 C ? -0.2 +1230 ILE 392 C 414 C ? ASN 393 C 415 C ? -0.1 PHE 292 A 302 A ? -0.1 VAL 395 C 417 C ? -0.5 HIS 294 A 304 A ? -0.1 +1231 ASN 393 C 415 C ? ASN 293 A 303 A ? -1.6 SER 394 C 416 C ? -0.2 ILE 392 C 414 C ? -0.1 GLY 43 Q 43 V ? -0.1 +1232 SER 394 C 416 C ? VAL 395 C 417 C ? -0.1 VAL 42 Q 42 V ? -0.1 ASN 396 C 418 C ? -0.7 ASN 393 C 415 C ? -0.2 +1233 VAL 395 C 417 C ? ILE 392 C 414 C ? -0.5 GLY 386 C 408 C ? -0.3 GLY 386 C 408 C ? -3.2 PHE 397 C 419 C ? -1.1 +1234 ASN 396 C 418 C ? SER 394 C 416 C ? -0.7 VAL 385 C 407 C ? -0.2 VAL 398 C 420 C ? -0.3 VAL 385 C 407 C ? -0.2 +1235 PHE 397 C 419 C ? VAL 395 C 417 C ? -1.1 SER 384 C 406 C ? -1.0 SER 399 C 421 C ? -0.3 SER 381 C 403 C ? -0.3 +1236 VAL 398 C 420 C ? ASN 396 C 418 C ? -0.3 TYR 60 C 82 C ? -0.3 GLY 63 C 85 C ? -0.2 GLY 380 C 402 C ? -0.1 +1237 SER 399 C 421 C ? PHE 397 C 419 C ? -0.3 ALA 377 C 399 C ? -0.2 TRP 403 C 425 C ? -1.9 SER 402 C 424 C ? -0.5 +1238 PRO 400 C 422 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 404 C 426 C ? -2.6 ALA 405 C 427 C ? -0.2 +1239 ARG 401 C 423 C ? TYR 280 C 302 C ? -0.8 TRP 403 C 425 C ? -0.2 ALA 405 C 427 C ? -2.4 THR 406 C 428 C ? -0.2 +1240 SER 402 C 424 C ? SER 399 C 421 C ? -0.5 LEU 404 C 426 C ? -0.2 THR 406 C 428 C ? -2.4 SER 407 C 429 C ? -0.3 +1241 TRP 403 C 425 C ? SER 399 C 421 C ? -1.9 LEU 404 C 426 C ? -0.2 SER 407 C 429 C ? -1.8 ARG 401 C 423 C ? -0.2 +1242 LEU 404 C 426 C ? PRO 400 C 422 C ? -2.6 THR 406 C 428 C ? -0.2 HIS 408 C 430 C ? -1.9 SER 402 C 424 C ? -0.2 +1243 ALA 405 C 427 C ? ARG 401 C 423 C ? -2.4 PRO 400 C 422 C ? -0.2 PHE 409 C 431 C ? -1.5 TRP 403 C 425 C ? -0.2 +1244 THR 406 C 428 C ? SER 402 C 424 C ? -2.4 ARG 401 C 423 C ? -0.2 VAL 410 C 432 C ? -2.1 PHE 409 C 431 C ? -0.2 +1245 SER 407 C 429 C ? TRP 403 C 425 C ? -1.8 SER 402 C 424 C ? -0.3 LEU 411 C 433 C ? -2.3 THR 406 C 428 C ? -0.2 +1246 HIS 408 C 430 C ? LEU 404 C 426 C ? -1.9 PHE 409 C 431 C ? -0.2 ALA 412 C 434 C ? -2.2 SER 407 C 429 C ? -0.2 +1247 PHE 409 C 431 C ? ALA 405 C 427 C ? -1.5 THR 406 C 428 C ? -0.2 PHE 413 C 435 C ? -2.3 HIS 408 C 430 C ? -0.2 +1248 VAL 410 C 432 C ? THR 406 C 428 C ? -2.1 ALA 412 C 434 C ? -0.2 PHE 414 C 436 C ? -2.2 HIS 408 C 430 C ? -0.2 +1249 LEU 411 C 433 C ? SER 407 C 429 C ? -2.3 ALA 412 C 434 C ? -0.2 PHE 415 C 437 C ? -2.2 PHE 409 C 431 C ? -0.2 +1250 ALA 412 C 434 C ? HIS 408 C 430 C ? -2.2 PHE 413 C 435 C ? -0.2 LEU 416 C 438 C ? -1.6 VAL 410 C 432 C ? -0.2 +1251 PHE 413 C 435 C ? PHE 409 C 431 C ? -2.3 PHE 414 C 436 C ? -0.2 VAL 417 C 439 C ? -1.9 LEU 416 C 438 C ? -0.3 +1252 PHE 414 C 436 C ? VAL 410 C 432 C ? -2.2 PHE 415 C 437 C ? -0.2 GLY 418 C 440 C ? -2.4 PHE 413 C 435 C ? -0.2 +1253 PHE 415 C 437 C ? LEU 411 C 433 C ? -2.2 VAL 417 C 439 C ? -0.2 HIS 419 C 441 C ? -2.0 PHE 414 C 436 C ? -0.2 +1254 LEU 416 C 438 C ? ALA 412 C 434 C ? -1.6 PHE 413 C 435 C ? -0.3 LEU 420 C 442 C ? -2.4 PHE 414 C 436 C ? -0.2 +1255 VAL 417 C 439 C ? PHE 413 C 435 C ? -1.9 GLY 418 C 440 C ? -0.2 TRP 421 C 443 C ? -2.5 PHE 415 C 437 C ? -0.2 +1256 GLY 418 C 440 C ? PHE 414 C 436 C ? -2.4 LEU 420 C 442 C ? -0.2 HIS 422 C 444 C ? -2.8 ALA 423 C 445 C ? -0.3 +1257 HIS 419 C 441 C ? PHE 415 C 437 C ? -2.0 LEU 254 C 276 C ? -0.2 ALA 423 C 445 C ? -3.1 GLY 424 C 446 C ? -0.3 +1258 LEU 420 C 442 C ? LEU 416 C 438 C ? -2.4 TRP 421 C 443 C ? -0.2 GLY 424 C 446 C ? -2.0 GLY 418 C 440 C ? -0.2 +1259 TRP 421 C 443 C ? VAL 417 C 439 C ? -2.5 ALA 423 C 445 C ? -0.2 ARG 425 C 447 C ? -1.7 HIS 419 C 441 C ? -0.2 +1260 HIS 422 C 444 C ? GLY 418 C 440 C ? -2.8 GLY 424 C 446 C ? -0.2 ALA 426 C 448 C ? -2.6 LEU 420 C 442 C ? -0.2 +1261 ALA 423 C 445 C ? HIS 419 C 441 C ? -3.1 GLY 418 C 440 C ? -0.3 ARG 427 C 449 C ? -2.0 HIS 422 C 444 C ? -0.2 +1262 GLY 424 C 446 C ? LEU 420 C 442 C ? -2.0 HIS 419 C 441 C ? -0.3 ALA 428 C 450 C ? -2.0 ALA 423 C 445 C ? -0.2 +1263 ARG 425 C 447 C ? TRP 421 C 443 C ? -1.7 ARG 427 C 449 C ? -0.2 ALA 429 C 451 C ? -2.7 ALA 430 C 452 C ? -0.2 +1264 ALA 426 C 448 C ? HIS 422 C 444 C ? -2.6 ALA 428 C 450 C ? -0.2 ALA 430 C 452 C ? -2.2 ALA 431 C 453 C ? -0.2 +1265 ARG 427 C 449 C ? ALA 423 C 445 C ? -2.0 ALA 428 C 450 C ? -0.2 ALA 431 C 453 C ? -1.6 ARG 425 C 447 C ? -0.2 +1266 ALA 428 C 450 C ? GLY 424 C 446 C ? -2.0 ALA 429 C 451 C ? -0.2 PHE 433 C 455 C ? -2.7 GLY 432 C 454 C ? -0.8 +1267 ALA 429 C 451 C ? ARG 425 C 447 C ? -2.7 GLY 432 C 454 C ? -0.2 ALA 428 C 450 C ? -0.2 ARG 427 C 449 C ? -0.2 +1268 ALA 430 C 452 C ? ALA 426 C 448 C ? -2.2 ALA 431 C 453 C ? -0.2 ALA 429 C 451 C ? -0.2 ALA 428 C 450 C ? -0.2 +1269 ALA 431 C 453 C ? ARG 427 C 449 C ? -1.6 ALA 426 C 448 C ? -0.2 ARG 34 H 34 I ? -1.2 ALA 430 C 452 C ? -0.2 +1270 GLY 432 C 454 C ? ALA 428 C 450 C ? -0.8 ARG 427 C 449 C ? -0.2 ALA 429 C 451 C ? -0.2 ALA 428 C 450 C ? -0.1 +1271 PHE 433 C 455 C ? ALA 428 C 450 C ? -2.7 MET 129 A 139 A ? -0.1 GLY 436 C 458 C ? -0.8 ALA 429 C 451 C ? -0.2 +1272 GLU 434 C 456 C ? ALA 428 C 450 C ? -0.5 LYS 435 C 457 C ? -0.2 ALA 429 C 451 C ? -0.1 ILE 437 C 459 C ? -0.1 +1273 LYS 435 C 457 C ? GLY 436 C 458 C ? -0.4 ALA 428 C 450 C ? -0.2 ASP 215 D 225 D ? -0.3 GLY 216 D 226 D ? -0.2 +1274 GLY 436 C 458 C ? PHE 433 C 455 C ? -0.8 GLN 214 D 224 D ? -0.2 LYS 435 C 457 C ? -0.4 ASP 438 C 460 C ? -0.4 +1275 ILE 437 C 459 C ? LEU 212 D 222 D ? -2.6 LYS 435 C 457 C ? -0.2 GLN 214 D 224 D ? -2.5 ARG 439 C 461 C ? -0.4 +1276 ASP 438 C 460 C ? GLY 436 C 458 C ? -0.4 SER 441 C 463 C ? -0.3 SER 441 C 463 C ? -0.9 ASP 215 D 225 D ? -0.1 +1277 ARG 439 C 461 C ? ILE 437 C 459 C ? -0.4 GLN 214 D 224 D ? -0.4 GLU 442 C 464 C ? -0.7 ASP 438 C 460 C ? -0.1 +1278 GLU 440 C 462 C ? SER 441 C 463 C ? -0.2 ILE 437 C 459 C ? -0.0 ARG 439 C 461 C ? -0.2 ASP 438 C 460 C ? -0.1 +1279 SER 441 C 463 C ? ASP 438 C 460 C ? -0.9 SER 446 C 468 C ? -0.0 ASP 438 C 460 C ? -0.3 GLU 440 C 462 C ? -0.2 +1280 GLU 442 C 464 C ? ARG 439 C 461 C ? -0.7 PRO 443 C 465 C ? -0.1 LEU 445 C 467 C ? -1.3 SER 446 C 468 C ? -0.5 +1281 PRO 443 C 465 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 446 C 468 C ? -1.8 MET 447 C 469 C ? -0.4 +1282 VAL 444 C 466 C ? LEU 127 A 137 A ? -0.4 LEU 445 C 467 C ? -0.3 MET 447 C 469 C ? -1.0 GLU 442 C 464 C ? -0.1 +1283 LEU 445 C 467 C ? GLU 442 C 464 C ? -1.3 SER 446 C 468 C ? -0.2 VAL 444 C 466 C ? -0.3 SER 449 C 471 C ? -0.1 +1284 SER 446 C 468 C ? PRO 443 C 465 C ? -1.8 GLU 442 C 464 C ? -0.5 LEU 445 C 467 C ? -0.2 VAL 444 C 466 C ? -0.2 +1285 MET 447 C 469 C ? VAL 444 C 466 C ? -1.0 PRO 443 C 465 C ? -0.4 LEU 450 C 472 C ? -0.1 ASP 15 A 25 A ? -0.0 +1286 PRO 448 C 470 C ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 450 C 472 C ? -0.1 MET 447 C 469 C ? -0.1 +1287 SER 449 C 471 C ? LEU 450 C 472 C ? -0.1 LEU 445 C 467 C ? -0.1 ARG 28 O 28 T ? -0.0 LEU 445 C 467 C ? -0.0 +1288 LEU 450 C 472 C ? ASP 451 C 473 C ? -0.2 PRO 448 C 470 C ? -0.1 SER 449 C 471 C ? -0.1 ARG 17 A 27 A ? -0.1 +1289 ASP 451 C 473 C ? PRO 27 O 27 T ? -0.2 ARG 17 A 27 A ? -0.0 LEU 450 C 472 C ? -0.2 SER 449 C 471 C ? -0.0 +1290 GLU 1 D 11 D ? GLY 3 D 13 D ? -0.0 GLY 23 G 24 H ? -0.0 GLY 3 D 13 D ? -0.2 GLY 23 G 24 H ? -0.0 +1291 ARG 2 D 12 D ? ASP 6 D 16 D ? -0.1 PHE 5 D 15 D ? -0.0 TRP 4 D 14 D ? -0.1 ? ? ? ? ? ? ? +1292 GLY 3 D 13 D ? GLU 1 D 11 D ? -0.2 TRP 4 D 14 D ? -0.0 ILE 7 D 17 D ? -2.1 ASP 6 D 16 D ? -0.7 +1293 TRP 4 D 14 D ? PHE 5 D 15 D ? -0.3 ASP 6 D 16 D ? -0.2 LEU 8 D 18 D ? -2.2 ASP 9 D 19 D ? -0.1 +1294 PHE 5 D 15 D ? ILE 7 D 17 D ? -0.2 ASP 6 D 16 D ? -0.2 ASP 9 D 19 D ? -2.2 TRP 4 D 14 D ? -0.3 +1295 ASP 6 D 16 D ? GLY 3 D 13 D ? -0.7 LEU 8 D 18 D ? -0.2 ASP 10 D 20 D ? -2.2 TRP 4 D 14 D ? -0.2 +1296 ILE 7 D 17 D ? GLY 3 D 13 D ? -2.1 ASP 9 D 19 D ? -0.2 TRP 11 D 21 D ? -2.0 ASP 6 D 16 D ? -0.2 +1297 LEU 8 D 18 D ? TRP 4 D 14 D ? -2.2 GLY 3 D 13 D ? -0.2 LEU 12 D 22 D ? -2.6 ASP 6 D 16 D ? -0.2 +1298 ASP 9 D 19 D ? PHE 5 D 15 D ? -2.2 ASP 10 D 20 D ? -0.2 LYS 13 D 23 D ? -1.5 ILE 7 D 17 D ? -0.2 +1299 ASP 10 D 20 D ? ASP 6 D 16 D ? -2.2 TRP 11 D 21 D ? -0.2 LYS 13 D 23 D ? -0.5 LEU 8 D 18 D ? -0.2 +1300 TRP 11 D 21 D ? ILE 7 D 17 D ? -2.0 LEU 12 D 22 D ? -0.2 ARG 14 D 24 D ? -1.5 ASP 9 D 19 D ? -0.2 +1301 LEU 12 D 22 D ? LEU 8 D 18 D ? -2.6 LYS 13 D 23 D ? -0.3 GLY 21 D 31 D ? -3.2 VAL 20 D 30 D ? -0.7 +1302 LYS 13 D 23 D ? ASP 9 D 19 D ? -1.5 ASP 10 D 20 D ? -0.5 VAL 498 B 499 B ? -2.7 LEU 12 D 22 D ? -0.3 +1303 ARG 14 D 24 D ? TRP 11 D 21 D ? -1.5 LYS 497 B 498 B ? -0.3 ARG 16 D 26 D ? -1.1 VAL 20 D 30 D ? -0.4 +1304 ASP 15 D 25 D ? GLN 496 B 497 B ? -3.1 TYR 495 B 496 B ? -0.2 PHE 17 D 27 D ? -0.2 ARG 14 D 24 D ? -0.1 +1305 ARG 16 D 26 D ? ARG 14 D 24 D ? -1.1 ARG 247 A 257 A ? -0.1 PHE 19 D 29 D ? -0.2 GLY 3 E 6 E ? -0.1 +1306 PHE 17 D 27 D ? VAL 18 D 28 D ? -0.3 ASP 15 D 25 D ? -0.2 PHE 19 D 29 D ? -0.5 GLN 251 A 261 A ? -0.4 +1307 VAL 18 D 28 D ? PHE 250 A 260 A ? -0.1 GLN 251 A 261 A ? -0.0 PHE 17 D 27 D ? -0.3 VAL 20 D 30 D ? -0.2 +1308 PHE 19 D 29 D ? PHE 17 D 27 D ? -0.5 ARG 247 A 257 A ? -0.5 LYS 13 D 23 D ? -0.1 ASP 15 D 25 D ? -0.1 +1309 VAL 20 D 30 D ? LEU 12 D 22 D ? -0.7 ARG 14 D 24 D ? -0.4 GLY 24 D 34 D ? -0.7 LYS 13 D 23 D ? -0.2 +1310 GLY 21 D 31 D ? LEU 12 D 22 D ? -3.2 SER 23 D 33 D ? -0.2 GLY 24 D 34 D ? -0.4 ILE 25 D 35 D ? -0.4 +1311 TRP 22 D 32 D ? SER 23 D 33 D ? -0.2 GLY 24 D 34 D ? -0.2 ILE 25 D 35 D ? -1.3 LEU 26 D 36 D ? -0.6 +1312 SER 23 D 33 D ? GLY 24 D 34 D ? -0.2 ILE 25 D 35 D ? -0.2 LEU 27 D 37 D ? -2.7 LEU 26 D 36 D ? -0.7 +1313 GLY 24 D 34 D ? VAL 20 D 30 D ? -0.7 GLY 21 D 31 D ? -0.4 PHE 28 D 38 D ? -2.0 SER 23 D 33 D ? -0.2 +1314 ILE 25 D 35 D ? TRP 22 D 32 D ? -1.3 GLY 21 D 31 D ? -0.4 GLY 24 D 34 D ? -0.2 CYS 30 D 40 D ? -0.2 +1315 LEU 26 D 36 D ? SER 23 D 33 D ? -0.7 TRP 22 D 32 D ? -0.6 CYS 30 D 40 D ? -1.3 GLY 24 D 34 D ? -0.2 +1316 LEU 27 D 37 D ? SER 23 D 33 D ? -2.7 GLY 114 D 124 D ? -0.2 ALA 31 D 41 D ? -2.9 TYR 32 D 42 D ? -0.3 +1317 PHE 28 D 38 D ? GLY 24 D 34 D ? -2.0 CYS 30 D 40 D ? -0.2 TYR 32 D 42 D ? -2.1 LEU 33 D 43 D ? -0.2 +1318 PRO 29 D 39 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 33 D 43 D ? -2.7 ALA 34 D 44 D ? -0.2 +1319 CYS 30 D 40 D ? LEU 26 D 36 D ? -1.3 ALA 31 D 41 D ? -0.2 ALA 34 D 44 D ? -2.1 GLY 111 D 121 D ? -0.2 +1320 ALA 31 D 41 D ? LEU 27 D 37 D ? -2.9 LEU 26 D 36 D ? -0.2 LEU 35 D 45 D ? -1.9 CYS 30 D 40 D ? -0.2 +1321 TYR 32 D 42 D ? PHE 28 D 38 D ? -2.1 LEU 27 D 37 D ? -0.3 GLY 36 D 46 D ? -3.2 CYS 30 D 40 D ? -0.2 +1322 LEU 33 D 43 D ? PRO 29 D 39 D ? -2.7 LEU 35 D 45 D ? -0.2 GLY 37 D 47 D ? -3.1 TRP 38 D 48 D ? -0.2 +1323 ALA 34 D 44 D ? CYS 30 D 40 D ? -2.1 PRO 29 D 39 D ? -0.2 TRP 38 D 48 D ? -1.6 LEU 33 D 43 D ? -0.2 +1324 LEU 35 D 45 D ? ALA 31 D 41 D ? -1.9 GLY 37 D 47 D ? -0.2 LEU 39 D 49 D ? -2.4 LEU 33 D 43 D ? -0.2 +1325 GLY 36 D 46 D ? TYR 32 D 42 D ? -3.2 GLY 37 D 47 D ? -0.2 THR 40 D 50 D ? -2.9 ALA 34 D 44 D ? -0.2 +1326 GLY 37 D 47 D ? LEU 33 D 43 D ? -3.1 LEU 39 D 49 D ? -0.2 GLY 41 D 51 D ? -2.8 GLY 36 D 46 D ? -0.2 +1327 TRP 38 D 48 D ? ALA 34 D 44 D ? -1.6 THR 40 D 50 D ? -0.2 THR 42 D 52 D ? -2.9 THR 43 D 53 D ? -0.2 +1328 LEU 39 D 49 D ? LEU 35 D 45 D ? -2.4 GLY 41 D 51 D ? -0.2 THR 43 D 53 D ? -1.3 GLY 37 D 47 D ? -0.2 +1329 THR 40 D 50 D ? GLY 36 D 46 D ? -2.9 LEU 35 D 45 D ? -0.2 PHE 44 D 54 D ? -2.3 VAL 45 D 55 D ? -0.5 +1330 GLY 41 D 51 D ? GLY 37 D 47 D ? -2.8 THR 42 D 52 D ? -0.2 VAL 45 D 55 D ? -1.7 LEU 39 D 49 D ? -0.2 +1331 THR 42 D 52 D ? TRP 38 D 48 D ? -2.9 GLY 37 D 47 D ? -0.2 TYR 57 D 67 D ? -1.9 GLY 41 D 51 D ? -0.2 +1332 THR 43 D 53 D ? LEU 39 D 49 D ? -1.3 SER 56 D 66 D ? -0.3 LEU 58 D 68 D ? -2.0 GLY 41 D 51 D ? -0.2 +1333 PHE 44 D 54 D ? THR 40 D 50 D ? -2.3 LEU 39 D 49 D ? -0.2 THR 46 D 56 D ? -0.3 GLY 41 D 51 D ? -0.2 +1334 VAL 45 D 55 D ? GLY 41 D 51 D ? -1.7 THR 40 D 50 D ? -0.5 ALA 67 D 77 D ? -0.2 SER 55 D 65 D ? -0.1 +1335 THR 46 D 56 D ? PHE 44 D 54 D ? -0.3 PHE 44 E 47 E ? -0.2 ALA 54 D 64 D ? -0.2 SER 69 D 79 D ? -0.1 +1336 SER 47 D 57 D ? LEU 53 D 63 D ? -1.7 VAL 45 D 55 D ? -0.1 HIS 51 D 61 D ? -2.8 GLY 52 D 62 D ? -1.3 +1337 TRP 48 D 58 D ? GLY 52 D 62 D ? -0.3 HIS 51 D 61 D ? -0.2 GLY 52 D 62 D ? -0.7 ALA 54 D 64 D ? -0.1 +1338 TYR 49 D 59 D ? THR 50 D 60 D ? -0.2 HIS 51 D 61 D ? -0.1 VAL 63 E 66 E ? -2.5 TRP 48 D 58 D ? -0.2 +1339 THR 50 D 60 D ? SER 47 D 57 D ? -0.3 LEU 62 E 65 E ? -0.2 ASN 73 D 83 D ? -0.3 TRP 48 D 58 D ? -0.2 +1340 HIS 51 D 61 D ? SER 47 D 57 D ? -2.8 LEU 53 D 63 D ? -0.2 TRP 48 D 58 D ? -0.2 TYR 49 D 59 D ? -0.1 +1341 GLY 52 D 62 D ? SER 47 D 57 D ? -1.3 TRP 48 D 58 D ? -0.7 ALA 54 D 64 D ? -0.4 ASN 305 A 315 A ? -0.3 +1342 LEU 53 D 63 D ? SER 47 D 57 D ? -1.0 ILE 304 A 314 A ? -0.1 SER 47 D 57 D ? -1.7 SER 55 D 65 D ? -0.3 +1343 ALA 54 D 64 D ? ASN 305 A 315 A ? -2.2 GLY 52 D 62 D ? -0.4 TRP 307 A 317 A ? -0.3 THR 46 D 56 D ? -0.1 +1344 SER 55 D 65 D ? LEU 53 D 63 D ? -0.3 THR 306 A 316 A ? -0.1 ALA 67 D 77 D ? -2.3 TYR 57 D 67 D ? -0.3 +1345 SER 56 D 66 D ? VAL 66 D 76 D ? -0.2 PHE 44 D 54 D ? -0.1 CYS 61 D 71 D ? -2.0 GLY 60 D 70 D ? -0.7 +1346 TYR 57 D 67 D ? THR 42 D 52 D ? -1.9 SER 55 D 65 D ? -0.3 GLY 60 D 70 D ? -1.3 PHE 44 D 54 D ? -0.2 +1347 LEU 58 D 68 D ? THR 43 D 53 D ? -2.0 GLU 59 D 69 D ? -0.3 TYR 57 D 67 D ? -0.2 PHE 44 D 54 D ? -0.1 +1348 GLU 59 D 69 D ? SER 56 D 66 D ? -0.5 THR 43 D 53 D ? -0.1 LEU 58 D 68 D ? -0.3 GLY 35 I 36 J ? -0.3 +1349 GLY 60 D 70 D ? TYR 57 D 67 D ? -1.3 SER 56 D 66 D ? -0.7 TYR 57 D 67 D ? -0.2 LEU 58 D 68 D ? -0.1 +1350 CYS 61 D 71 D ? SER 56 D 66 D ? -2.0 THR 42 D 52 D ? -0.1 GLY 60 D 70 D ? -0.3 PHE 63 D 73 D ? -0.2 +1351 ASN 62 D 72 D ? GLY 60 D 70 D ? -0.0 GLY 35 I 36 J ? -0.0 VAL 66 D 76 D ? -1.9 THR 65 D 75 D ? -1.1 +1352 PHE 63 D 73 D ? LEU 64 D 74 D ? -0.3 CYS 61 D 71 D ? -0.2 VAL 165 D 175 D ? -0.5 CYS 61 D 71 D ? -0.0 +1353 LEU 64 D 74 D ? THR 65 D 75 D ? -0.1 VAL 165 D 175 D ? -0.1 ALA 166 D 176 D ? -2.6 PHE 63 D 73 D ? -0.3 +1354 THR 65 D 75 D ? ASN 62 D 72 D ? -1.1 VAL 165 D 175 D ? -0.2 TRP 307 A 317 A ? -0.6 PHE 63 D 73 D ? -0.2 +1355 VAL 66 D 76 D ? ASN 62 D 72 D ? -1.9 THR 306 A 316 A ? -0.1 VAL 165 D 175 D ? -0.5 ALA 167 D 177 D ? -0.3 +1356 ALA 67 D 77 D ? SER 55 D 65 D ? -2.3 VAL 45 D 55 D ? -0.2 SER 69 D 79 D ? -0.6 GLY 164 D 174 D ? -0.2 +1357 VAL 68 D 78 D ? PHE 163 D 173 D ? -1.2 VAL 66 D 76 D ? -0.3 PHE 163 D 173 D ? -2.4 THR 70 D 80 D ? -0.1 +1358 SER 69 D 79 D ? ALA 67 D 77 D ? -0.6 SER 162 D 172 D ? -0.2 TRP 101 D 111 D ? -0.3 LEU 100 D 110 D ? -0.1 +1359 THR 70 D 80 D ? PHE 158 D 168 D ? -0.3 ALA 160 D 170 D ? -0.2 PHE 158 D 168 D ? -0.1 SER 69 D 79 D ? -0.1 +1360 PRO 71 D 81 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 98 D 108 D ? -0.2 THR 70 D 80 D ? -0.1 +1361 ALA 72 D 82 D ? LEU 97 D 107 D ? -0.8 ASN 73 D 83 D ? -0.1 MET 75 D 85 D ? -1.8 TRP 157 D 167 D ? -0.2 +1362 ASN 73 D 83 D ? THR 50 D 60 D ? -0.3 SER 74 D 84 D ? -0.3 GLY 76 D 86 D ? -1.9 ALA 72 D 82 D ? -0.1 +1363 SER 74 D 84 D ? VAL 63 E 66 E ? -0.4 MET 75 D 85 D ? -0.3 ARG 66 E 69 E ? -0.3 ASN 73 D 83 D ? -0.3 +1364 MET 75 D 85 D ? ALA 72 D 82 D ? -1.8 GLY 76 D 86 D ? -0.2 SER 78 D 88 D ? -2.2 SER 74 D 84 D ? -0.3 +1365 GLY 76 D 86 D ? ASN 73 D 83 D ? -1.9 HIS 77 D 87 D ? -0.2 TRP 157 D 167 D ? -2.2 MET 75 D 85 D ? -0.2 +1366 HIS 77 D 87 D ? SER 156 D 166 D ? -0.2 SER 155 D 165 D ? -0.1 GLY 76 D 86 D ? -0.2 SER 156 D 166 D ? -0.1 +1367 SER 78 D 88 D ? MET 75 D 85 D ? -2.2 LEU 79 D 89 D ? -0.2 TRP 157 D 167 D ? -0.1 SER 50 G 51 H ? -0.1 +1368 LEU 79 D 89 D ? ASN 49 G 50 H ? -0.1 GLU 46 G 47 H ? -0.1 SER 78 D 88 D ? -0.2 LEU 106 D 116 D ? -0.1 +1369 LEU 80 D 90 D ? MET 75 D 85 D ? -0.1 LEU 81 D 91 D ? -0.1 PHE 103 D 113 D ? -0.2 THR 102 D 112 D ? -0.1 +1370 LEU 81 D 91 D ? LEU 82 D 92 D ? -0.1 TRP 83 D 93 D ? -0.1 GLY 84 D 94 D ? -1.2 ALA 87 D 97 D ? -0.5 +1371 LEU 82 D 92 D ? TRP 83 D 93 D ? -0.3 ALA 87 D 97 D ? -0.1 GLY 89 D 99 D ? -2.6 ASP 90 D 100 D ? -0.2 +1372 TRP 83 D 93 D ? GLN 88 D 98 D ? -0.2 GLY 89 D 99 D ? -0.2 LEU 82 D 92 D ? -0.3 GLY 12 R 13 X ? -0.1 +1373 GLY 84 D 94 D ? LEU 81 D 91 D ? -1.2 PRO 85 D 95 D ? -0.1 GLN 88 D 98 D ? -2.2 GLY 89 D 99 D ? -0.2 +1374 PRO 85 D 95 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 84 D 94 D ? -0.1 THR 51 G 52 H ? -0.1 +1375 GLU 86 D 96 D ? LEU 81 D 91 D ? -0.2 ALA 87 D 97 D ? -0.1 LYS 70 E 73 E ? -0.4 LEU 82 D 92 D ? -0.1 +1376 ALA 87 D 97 D ? LEU 81 D 91 D ? -0.5 ALA 69 E 72 E ? -0.1 ASP 90 D 100 D ? -1.5 ARG 93 D 103 D ? -0.2 +1377 GLN 88 D 98 D ? GLY 84 D 94 D ? -2.2 LEU 81 D 91 D ? -0.3 TRP 83 D 93 D ? -0.2 LEU 82 D 92 D ? -0.1 +1378 GLY 89 D 99 D ? LEU 82 D 92 D ? -2.6 GLY 84 D 94 D ? -0.2 PHE 91 D 101 D ? -0.8 GLN 88 D 98 D ? -0.3 +1379 ASP 90 D 100 D ? ALA 87 D 97 D ? -1.5 LEU 82 D 92 D ? -0.2 TRP 94 D 104 D ? -2.3 GLY 89 D 99 D ? -0.2 +1380 PHE 91 D 101 D ? GLY 89 D 99 D ? -0.8 THR 92 D 102 D ? -0.2 CYS 95 D 105 D ? -1.6 ASP 90 D 100 D ? -0.2 +1381 THR 92 D 102 D ? TRP 94 D 104 D ? -0.2 ARG 93 D 103 D ? -0.2 GLN 96 D 106 D ? -2.0 PHE 91 D 101 D ? -0.2 +1382 ARG 93 D 103 D ? TRP 94 D 104 D ? -0.2 CYS 95 D 105 D ? -0.2 LEU 97 D 107 D ? -1.3 PHE 91 D 101 D ? -0.2 +1383 TRP 94 D 104 D ? ASP 90 D 100 D ? -2.3 CYS 95 D 105 D ? -0.2 GLY 99 D 109 D ? -3.0 GLY 98 D 108 D ? -0.5 +1384 CYS 95 D 105 D ? PHE 91 D 101 D ? -1.6 GLN 96 D 106 D ? -0.2 GLY 98 D 108 D ? -1.1 LEU 100 D 110 D ? -0.2 +1385 GLN 96 D 106 D ? THR 92 D 102 D ? -2.0 LEU 97 D 107 D ? -0.2 TRP 94 D 104 D ? -0.2 CYS 95 D 105 D ? -0.2 +1386 LEU 97 D 107 D ? ARG 93 D 103 D ? -1.3 THR 92 D 102 D ? -0.2 ALA 72 D 82 D ? -0.8 GLN 96 D 106 D ? -0.2 +1387 GLY 98 D 108 D ? CYS 95 D 105 D ? -1.1 TRP 94 D 104 D ? -0.5 TRP 101 D 111 D ? -1.3 THR 102 D 112 D ? -0.8 +1388 GLY 99 D 109 D ? TRP 94 D 104 D ? -3.0 LEU 100 D 110 D ? -0.3 PHE 103 D 113 D ? -2.3 CYS 95 D 105 D ? -0.2 +1389 LEU 100 D 110 D ? TRP 94 D 104 D ? -0.4 CYS 95 D 105 D ? -0.2 ILE 104 D 114 D ? -2.7 GLY 99 D 109 D ? -0.3 +1390 TRP 101 D 111 D ? GLY 98 D 108 D ? -1.3 SER 69 D 79 D ? -0.3 ALA 105 D 115 D ? -3.0 LEU 100 D 110 D ? -0.2 +1391 THR 102 D 112 D ? GLY 98 D 108 D ? -0.8 ILE 104 D 114 D ? -0.2 LEU 106 D 116 D ? -3.1 HIS 107 D 117 D ? -0.4 +1392 PHE 103 D 113 D ? GLY 99 D 109 D ? -2.3 ALA 105 D 115 D ? -0.2 HIS 107 D 117 D ? -2.4 GLY 108 D 118 D ? -0.3 +1393 ILE 104 D 114 D ? LEU 100 D 110 D ? -2.7 ALA 105 D 115 D ? -0.2 GLY 108 D 118 D ? -3.0 ALA 109 D 119 D ? -0.2 +1394 ALA 105 D 115 D ? TRP 101 D 111 D ? -3.0 LEU 100 D 110 D ? -0.2 ALA 109 D 119 D ? -1.9 PHE 103 D 113 D ? -0.2 +1395 LEU 106 D 116 D ? THR 102 D 112 D ? -3.1 GLY 108 D 118 D ? -0.2 PHE 110 D 120 D ? -2.1 GLY 111 D 121 D ? -0.2 +1396 HIS 107 D 117 D ? PHE 103 D 113 D ? -2.4 THR 102 D 112 D ? -0.4 GLY 111 D 121 D ? -2.7 ALA 105 D 115 D ? -0.2 +1397 GLY 108 D 118 D ? ILE 104 D 114 D ? -3.0 PHE 103 D 113 D ? -0.3 LEU 112 D 122 D ? -2.0 LEU 106 D 116 D ? -0.2 +1398 ALA 109 D 119 D ? ALA 105 D 115 D ? -1.9 ILE 104 D 114 D ? -0.2 ILE 113 D 123 D ? -1.7 HIS 107 D 117 D ? -0.2 +1399 PHE 110 D 120 D ? LEU 106 D 116 D ? -2.1 GLY 111 D 121 D ? -0.2 GLY 114 D 124 D ? -2.5 ALA 109 D 119 D ? -0.2 +1400 GLY 111 D 121 D ? HIS 107 D 117 D ? -2.7 ILE 113 D 123 D ? -0.2 PHE 115 D 125 D ? -2.2 PHE 110 D 120 D ? -0.2 +1401 LEU 112 D 122 D ? GLY 108 D 118 D ? -2.0 GLY 114 D 124 D ? -0.2 MET 116 D 126 D ? -2.3 PHE 110 D 120 D ? -0.2 +1402 ILE 113 D 123 D ? ALA 109 D 119 D ? -1.7 PHE 115 D 125 D ? -0.2 LEU 117 D 127 D ? -2.5 GLY 111 D 121 D ? -0.2 +1403 GLY 114 D 124 D ? PHE 110 D 120 D ? -2.5 MET 116 D 126 D ? -0.2 ARG 118 D 128 D ? -2.3 LEU 112 D 122 D ? -0.2 +1404 PHE 115 D 125 D ? GLY 111 D 121 D ? -2.2 LEU 117 D 127 D ? -0.2 GLN 119 D 129 D ? -1.8 GLY 114 D 124 D ? -0.2 +1405 MET 116 D 126 D ? LEU 112 D 122 D ? -2.3 ARG 118 D 128 D ? -0.2 PHE 120 D 130 D ? -1.9 GLY 114 D 124 D ? -0.2 +1406 LEU 117 D 127 D ? ILE 113 D 123 D ? -2.5 ARG 118 D 128 D ? -0.2 GLU 121 D 131 D ? -2.6 MET 116 D 126 D ? -0.2 +1407 ARG 118 D 128 D ? GLY 114 D 124 D ? -2.3 PHE 120 D 130 D ? -0.2 ILE 122 D 132 D ? -2.6 ALA 123 D 133 D ? -0.3 +1408 GLN 119 D 129 D ? PHE 115 D 125 D ? -1.8 GLU 121 D 131 D ? -0.2 ALA 123 D 133 D ? -1.9 LEU 117 D 127 D ? -0.2 +1409 PHE 120 D 130 D ? MET 116 D 126 D ? -1.9 ILE 122 D 132 D ? -0.2 ARG 124 D 134 D ? -1.8 ARG 118 D 128 D ? -0.2 +1410 GLU 121 D 131 D ? LEU 117 D 127 D ? -2.6 ALA 123 D 133 D ? -0.2 LEU 125 D 135 D ? -1.6 GLN 119 D 129 D ? -0.2 +1411 ILE 122 D 132 D ? ARG 118 D 128 D ? -2.6 ALA 123 D 133 D ? -0.2 VAL 126 D 136 D ? -2.4 GLY 127 D 137 D ? -0.3 +1412 ALA 123 D 133 D ? GLN 119 D 129 D ? -1.9 ARG 118 D 128 D ? -0.3 VAL 128 D 138 D ? -2.1 GLY 127 D 137 D ? -1.9 +1413 ARG 124 D 134 D ? PHE 120 D 130 D ? -1.8 GLY 127 D 137 D ? -0.2 ALA 123 D 133 D ? -0.2 ILE 122 D 132 D ? -0.2 +1414 LEU 125 D 135 D ? GLU 121 D 131 D ? -1.6 VAL 126 D 136 D ? -0.2 ALA 123 D 133 D ? -0.2 ARG 124 D 134 D ? -0.2 +1415 VAL 126 D 136 D ? ILE 122 D 132 D ? -2.4 GLU 121 D 131 D ? -0.2 ARG 124 D 134 D ? -0.2 LEU 125 D 135 D ? -0.2 +1416 GLY 127 D 137 D ? ALA 123 D 133 D ? -1.9 ILE 122 D 132 D ? -0.3 ASP 482 B 483 B ? -0.3 ARG 129 D 139 D ? -0.2 +1417 VAL 128 D 138 D ? ALA 123 D 133 D ? -2.1 ILE 122 D 132 D ? -0.1 GLY 127 D 137 D ? -0.3 SER 212 A 222 A ? -0.2 +1418 ARG 129 D 139 D ? SER 211 A 221 A ? -2.7 GLY 127 D 137 D ? -0.2 TYR 131 D 141 D ? -0.9 ASN 132 D 142 D ? -0.5 +1419 PRO 130 D 140 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 134 D 144 D ? -2.0 ALA 135 D 145 D ? -0.1 +1420 TYR 131 D 141 D ? ARG 129 D 139 D ? -0.9 SER 207 A 217 A ? -0.3 ALA 135 D 145 D ? -2.5 PHE 136 D 146 D ? -0.1 +1421 ASN 132 D 142 D ? ARG 129 D 139 D ? -0.5 SER 207 A 217 A ? -0.3 PHE 136 D 146 D ? -1.2 TYR 131 D 141 D ? -0.2 +1422 ALA 133 D 143 D ? ALA 135 D 145 D ? -0.2 ILE 134 D 144 D ? -0.2 SER 137 D 147 D ? -0.6 PHE 136 D 146 D ? -0.4 +1423 ILE 134 D 144 D ? PRO 130 D 140 D ? -2.0 ALA 135 D 145 D ? -0.2 SER 137 D 147 D ? -1.3 ALA 138 D 148 D ? -0.2 +1424 ALA 135 D 145 D ? TYR 131 D 141 D ? -2.5 PHE 136 D 146 D ? -0.3 ALA 138 D 148 D ? -1.2 ILE 134 D 144 D ? -0.2 +1425 PHE 136 D 146 D ? ASN 132 D 142 D ? -1.2 ALA 133 D 143 D ? -0.4 ILE 140 D 150 D ? -1.6 ALA 135 D 145 D ? -0.3 +1426 SER 137 D 147 D ? ILE 134 D 144 D ? -1.3 ALA 133 D 143 D ? -0.6 ALA 141 D 151 D ? -2.6 PHE 136 D 146 D ? -0.3 +1427 ALA 138 D 148 D ? ALA 135 D 145 D ? -1.2 ILE 134 D 144 D ? -0.2 VAL 142 D 152 D ? -2.2 SER 137 D 147 D ? -0.2 +1428 PRO 139 D 149 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 143 D 153 D ? -2.7 ALA 138 D 148 D ? -0.2 +1429 ILE 140 D 150 D ? PHE 136 D 146 D ? -1.6 VAL 142 D 152 D ? -0.2 VAL 144 D 154 D ? -3.0 SER 145 D 155 D ? -0.3 +1430 ALA 141 D 151 D ? SER 137 D 147 D ? -2.6 VAL 142 D 152 D ? -0.2 SER 145 D 155 D ? -2.2 ILE 140 D 150 D ? -0.2 +1431 VAL 142 D 152 D ? ALA 138 D 148 D ? -2.2 VAL 144 D 154 D ? -0.2 VAL 146 D 156 D ? -2.4 PHE 147 D 157 D ? -0.4 +1432 PHE 143 D 153 D ? PRO 139 D 149 D ? -2.7 VAL 144 D 154 D ? -0.2 PHE 147 D 157 D ? -2.7 LEU 148 D 158 D ? -0.4 +1433 VAL 144 D 154 D ? ILE 140 D 150 D ? -3.0 SER 145 D 155 D ? -0.2 ILE 149 D 159 D ? -2.8 LEU 148 D 158 D ? -1.3 +1434 SER 145 D 155 D ? ALA 141 D 151 D ? -2.2 ILE 140 D 150 D ? -0.3 TYR 150 D 160 D ? -2.2 VAL 144 D 154 D ? -0.2 +1435 VAL 146 D 156 D ? VAL 142 D 152 D ? -2.4 ALA 141 D 151 D ? -0.2 VAL 144 D 154 D ? -0.2 PHE 143 D 153 D ? -0.2 +1436 PHE 147 D 157 D ? PHE 143 D 153 D ? -2.7 VAL 142 D 152 D ? -0.4 VAL 144 D 154 D ? -0.2 SER 145 D 155 D ? -0.2 +1437 LEU 148 D 158 D ? VAL 144 D 154 D ? -1.3 PHE 143 D 153 D ? -0.4 LEU 152 D 162 D ? -1.9 SER 145 D 155 D ? -0.2 +1438 ILE 149 D 159 D ? VAL 144 D 154 D ? -2.8 TYR 150 D 160 D ? -0.2 GLY 153 D 163 D ? -1.6 GLN 154 D 164 D ? -0.2 +1439 TYR 150 D 160 D ? SER 145 D 155 D ? -2.2 VAL 144 D 154 D ? -0.3 GLN 154 D 164 D ? -1.0 GLY 153 D 163 D ? -0.5 +1440 PRO 151 D 161 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 150 D 160 D ? -0.2 ILE 149 D 159 D ? -0.2 +1441 LEU 152 D 162 D ? LEU 148 D 158 D ? -1.9 GLY 153 D 163 D ? -0.2 TYR 150 D 160 D ? -0.2 ILE 149 D 159 D ? -0.2 +1442 GLY 153 D 163 D ? ILE 149 D 159 D ? -1.6 TYR 150 D 160 D ? -0.5 LEU 152 D 162 D ? -0.2 TYR 150 D 160 D ? -0.1 +1443 GLN 154 D 164 D ? TYR 150 D 160 D ? -1.0 ILE 149 D 159 D ? -0.2 TRP 157 D 167 D ? -0.1 TYR 272 B 273 B ? -0.1 +1444 SER 155 D 165 D ? SER 156 D 166 D ? -0.2 GLY 76 D 86 D ? -0.1 TRP 157 D 167 D ? -0.3 HIS 77 D 87 D ? -0.1 +1445 SER 156 D 166 D ? PRO 151 D 161 D ? -0.1 GLY 76 D 86 D ? -0.1 PHE 159 D 169 D ? -1.2 HIS 77 D 87 D ? -0.2 +1446 TRP 157 D 167 D ? GLY 76 D 86 D ? -2.2 SER 155 D 165 D ? -0.3 ALA 160 D 170 D ? -1.6 ASN 73 D 83 D ? -0.1 +1447 PHE 158 D 168 D ? PHE 159 D 169 D ? -0.3 GLY 76 D 86 D ? -0.2 THR 70 D 80 D ? -0.3 TRP 157 D 167 D ? -0.2 +1448 PHE 159 D 169 D ? SER 156 D 166 D ? -1.2 PRO 151 D 161 D ? -0.1 PHE 158 D 168 D ? -0.3 TRP 157 D 167 D ? -0.2 +1449 ALA 160 D 170 D ? TRP 157 D 167 D ? -1.6 SER 156 D 166 D ? -0.2 SER 162 D 172 D ? -0.3 THR 70 D 80 D ? -0.2 +1450 PRO 161 D 171 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 163 D 173 D ? -0.2 ALA 160 D 170 D ? -0.1 +1451 SER 162 D 172 D ? ALA 160 D 170 D ? -0.3 ALA 167 D 177 D ? -0.2 GLY 164 D 174 D ? -1.6 SER 69 D 79 D ? -0.2 +1452 PHE 163 D 173 D ? VAL 68 D 78 D ? -2.4 PRO 161 D 171 D ? -0.2 VAL 68 D 78 D ? -1.2 VAL 165 D 175 D ? -0.3 +1453 GLY 164 D 174 D ? SER 162 D 172 D ? -1.6 ALA 67 D 77 D ? -0.2 ILE 168 D 178 D ? -2.2 ALA 67 D 77 D ? -0.2 +1454 VAL 165 D 175 D ? VAL 66 D 76 D ? -0.5 PHE 63 D 73 D ? -0.5 PHE 169 D 179 D ? -1.7 THR 65 D 75 D ? -0.2 +1455 ALA 166 D 176 D ? LEU 64 D 74 D ? -2.6 VAL 66 D 76 D ? -0.2 ARG 170 D 180 D ? -2.2 VAL 165 D 175 D ? -0.2 +1456 ALA 167 D 177 D ? VAL 66 D 76 D ? -0.3 LEU 64 D 74 D ? -0.3 PHE 171 D 181 D ? -1.7 ALA 166 D 176 D ? -0.2 +1457 ILE 168 D 178 D ? GLY 164 D 174 D ? -2.2 ARG 170 D 180 D ? -0.2 LEU 172 D 182 D ? -2.3 ALA 166 D 176 D ? -0.2 +1458 PHE 169 D 179 D ? VAL 165 D 175 D ? -1.7 ARG 170 D 180 D ? -0.2 LEU 173 D 183 D ? -2.0 ALA 167 D 177 D ? -0.2 +1459 ARG 170 D 180 D ? ALA 166 D 176 D ? -2.2 PHE 171 D 181 D ? -0.2 PHE 174 D 184 D ? -2.8 PHE 169 D 179 D ? -0.2 +1460 PHE 171 D 181 D ? ALA 167 D 177 D ? -1.7 LEU 172 D 182 D ? -0.2 PHE 175 D 185 D ? -2.4 PHE 169 D 179 D ? -0.2 +1461 LEU 172 D 182 D ? ILE 168 D 178 D ? -2.3 LEU 173 D 183 D ? -0.2 GLN 176 D 186 D ? -1.2 PHE 171 D 181 D ? -0.2 +1462 LEU 173 D 183 D ? PHE 169 D 179 D ? -2.0 PHE 175 D 185 D ? -0.2 GLY 177 D 187 D ? -2.5 PHE 171 D 181 D ? -0.2 +1463 PHE 174 D 184 D ? ARG 170 D 180 D ? -2.8 PHE 175 D 185 D ? -0.2 PHE 178 D 188 D ? -3.0 HIS 179 D 189 D ? -0.6 +1464 PHE 175 D 185 D ? PHE 171 D 181 D ? -2.4 ARG 170 D 180 D ? -0.2 TRP 181 D 191 D ? -1.6 HIS 179 D 189 D ? -0.8 +1465 GLN 176 D 186 D ? LEU 172 D 182 D ? -1.2 ASN 180 D 190 D ? -0.2 ASN 180 D 190 D ? -1.3 PHE 175 D 185 D ? -0.2 +1466 GLY 177 D 187 D ? LEU 173 D 183 D ? -2.5 HIS 179 D 189 D ? -0.2 ARG 316 D 326 D ? -0.2 PHE 175 D 185 D ? -0.2 +1467 PHE 178 D 188 D ? PHE 174 D 184 D ? -3.0 LEU 173 D 183 D ? -0.2 PHE 175 D 185 D ? -0.2 GLU 363 B 364 B ? -0.2 +1468 HIS 179 D 189 D ? PHE 175 D 185 D ? -0.8 PHE 174 D 184 D ? -0.6 SER 285 D 295 D ? -0.4 GLN 176 D 186 D ? -0.2 +1469 ASN 180 D 190 D ? GLN 176 D 186 D ? -1.3 PHE 174 D 184 D ? -0.2 LEU 183 D 193 D ? -1.5 GLN 176 D 186 D ? -0.2 +1470 TRP 181 D 191 D ? PHE 175 D 185 D ? -1.6 THR 182 D 192 D ? -0.3 ASN 184 D 194 D ? -1.1 HIS 187 D 197 D ? -0.2 +1471 THR 182 D 192 D ? LEU 183 D 193 D ? -0.2 PHE 175 D 185 D ? -0.1 TRP 181 D 191 D ? -0.3 ASN 180 D 190 D ? -0.1 +1472 LEU 183 D 193 D ? ASN 180 D 190 D ? -1.5 SER 285 D 295 D ? -0.1 THR 182 D 192 D ? -0.2 TRP 181 D 191 D ? -0.2 +1473 ASN 184 D 194 D ? TRP 181 D 191 D ? -1.1 ASN 180 D 190 D ? -0.2 MET 188 D 198 D ? -2.2 HIS 187 D 197 D ? -0.4 +1474 PRO 185 D 195 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? MET 189 D 199 D ? -2.3 GLY 190 D 200 D ? -0.1 +1475 PHE 186 D 196 D ? MET 188 D 198 D ? -0.2 HIS 187 D 197 D ? -0.2 GLY 190 D 200 D ? -1.5 ILE 274 D 284 D ? -0.1 +1476 HIS 187 D 197 D ? ASN 184 D 194 D ? -0.4 TRP 181 D 191 D ? -0.2 VAL 191 D 201 D ? -2.7 ALA 192 D 202 D ? -0.2 +1477 MET 188 D 198 D ? ASN 184 D 194 D ? -2.2 MET 189 D 199 D ? -0.2 ALA 192 D 202 D ? -2.4 PHE 186 D 196 D ? -0.2 +1478 MET 189 D 199 D ? PRO 185 D 195 D ? -2.3 GLY 190 D 200 D ? -0.2 GLY 193 D 203 D ? -2.0 MET 188 D 198 D ? -0.2 +1479 GLY 190 D 200 D ? PHE 186 D 196 D ? -1.5 ALA 192 D 202 D ? -0.2 VAL 194 D 204 D ? -2.2 MET 188 D 198 D ? -0.2 +1480 VAL 191 D 201 D ? HIS 187 D 197 D ? -2.7 ALA 192 D 202 D ? -0.2 LEU 195 D 205 D ? -2.9 GLY 196 D 206 D ? -0.4 +1481 ALA 192 D 202 D ? MET 188 D 198 D ? -2.4 GLY 193 D 203 D ? -0.2 GLY 196 D 206 D ? -2.1 GLY 190 D 200 D ? -0.2 +1482 GLY 193 D 203 D ? MET 189 D 199 D ? -2.0 GLY 196 D 206 D ? -0.2 GLY 197 D 207 D ? -1.4 ALA 192 D 202 D ? -0.2 +1483 VAL 194 D 204 D ? GLY 190 D 200 D ? -2.2 GLY 196 D 206 D ? -0.2 ALA 198 D 208 D ? -2.2 ALA 192 D 202 D ? -0.2 +1484 LEU 195 D 205 D ? VAL 191 D 201 D ? -2.9 GLY 196 D 206 D ? -0.2 LEU 199 D 209 D ? -2.3 GLY 193 D 203 D ? -0.2 +1485 GLY 196 D 206 D ? ALA 192 D 202 D ? -2.1 VAL 191 D 201 D ? -0.4 LEU 200 D 210 D ? -2.2 LEU 195 D 205 D ? -0.2 +1486 GLY 197 D 207 D ? GLY 193 D 203 D ? -1.4 LEU 199 D 209 D ? -0.2 CYS 201 D 211 D ? -2.5 LEU 195 D 205 D ? -0.2 +1487 ALA 198 D 208 D ? VAL 194 D 204 D ? -2.2 LEU 200 D 210 D ? -0.2 ALA 202 D 212 D ? -2.6 GLY 196 D 206 D ? -0.2 +1488 LEU 199 D 209 D ? LEU 195 D 205 D ? -2.3 CYS 201 D 211 D ? -0.2 ILE 203 D 213 D ? -2.9 GLY 197 D 207 D ? -0.2 +1489 LEU 200 D 210 D ? GLY 196 D 206 D ? -2.2 ALA 202 D 212 D ? -0.2 HIS 204 D 214 D ? -2.7 GLY 205 D 215 D ? -0.3 +1490 CYS 201 D 211 D ? GLY 197 D 207 D ? -2.5 ALA 202 D 212 D ? -0.2 GLY 205 D 215 D ? -1.9 LEU 199 D 209 D ? -0.2 +1491 ALA 202 D 212 D ? ALA 198 D 208 D ? -2.6 ILE 203 D 213 D ? -0.2 ALA 206 D 216 D ? -2.2 LEU 200 D 210 D ? -0.2 +1492 ILE 203 D 213 D ? LEU 199 D 209 D ? -2.9 GLY 205 D 215 D ? -0.2 THR 207 D 217 D ? -2.0 ALA 202 D 212 D ? -0.2 +1493 HIS 204 D 214 D ? LEU 200 D 210 D ? -2.7 LEU 199 D 209 D ? -0.2 VAL 208 D 218 D ? -2.6 GLU 209 D 219 D ? -0.2 +1494 GLY 205 D 215 D ? CYS 201 D 211 D ? -1.9 LEU 200 D 210 D ? -0.3 GLU 209 D 219 D ? -1.8 ILE 203 D 213 D ? -0.2 +1495 ALA 206 D 216 D ? ALA 202 D 212 D ? -2.2 CYS 201 D 211 D ? -0.2 ASN 210 D 220 D ? -1.0 GLY 205 D 215 D ? -0.2 +1496 THR 207 D 217 D ? ILE 203 D 213 D ? -2.0 GLU 209 D 219 D ? -0.2 THR 211 D 221 D ? -0.7 ASN 210 D 220 D ? -0.7 +1497 VAL 208 D 218 D ? HIS 204 D 214 D ? -2.6 GLU 209 D 219 D ? -0.2 THR 211 D 221 D ? -1.2 LEU 212 D 222 D ? -0.2 +1498 GLU 209 D 219 D ? GLY 205 D 215 D ? -1.8 ASN 210 D 220 D ? -0.3 VAL 208 D 218 D ? -0.2 THR 207 D 217 D ? -0.2 +1499 ASN 210 D 220 D ? ALA 206 D 216 D ? -1.0 THR 207 D 217 D ? -0.7 ARG 130 A 140 A ? -2.1 GLU 209 D 219 D ? -0.3 +1500 THR 211 D 221 D ? VAL 208 D 218 D ? -1.2 THR 207 D 217 D ? -0.7 SER 235 D 245 D ? -2.7 GLU 209 D 219 D ? -0.2 +1501 LEU 212 D 222 D ? TYR 234 D 244 D ? -0.3 VAL 208 D 218 D ? -0.2 ILE 437 C 459 C ? -2.6 TYR 234 D 244 D ? -0.3 +1502 PHE 213 D 223 D ? THR 233 D 243 D ? -2.4 GLY 436 C 458 C ? -0.3 ASP 215 D 225 D ? -1.1 ASP 438 C 460 C ? -0.2 +1503 GLN 214 D 224 D ? ILE 437 C 459 C ? -2.5 LEU 212 D 222 D ? -0.3 ARG 439 C 461 C ? -0.4 GLY 436 C 458 C ? -0.2 +1504 ASP 215 D 225 D ? PHE 213 D 223 D ? -1.1 LYS 435 C 457 C ? -0.3 GLU 217 D 227 D ? -0.3 GLN 214 D 224 D ? -0.2 +1505 GLY 216 D 226 D ? LYS 435 C 457 C ? -0.2 GLY 218 D 228 D ? -0.2 ALA 224 D 234 D ? -0.0 THR 221 D 231 D ? -0.0 +1506 GLU 217 D 227 D ? ASP 215 D 225 D ? -0.3 GLN 214 D 224 D ? -0.0 THR 221 D 231 D ? -0.1 GLY 216 D 226 D ? -0.0 +1507 GLY 218 D 228 D ? SER 220 D 230 D ? -0.2 ALA 219 D 229 D ? -0.1 GLY 216 D 226 D ? -0.2 PHE 11 C 33 C ? -0.1 +1508 ALA 219 D 229 D ? GLY 10 C 32 C ? -1.6 SER 220 D 230 D ? -0.1 THR 221 D 231 D ? -0.8 PHE 11 C 33 C ? -0.2 +1509 SER 220 D 230 D ? GLY 10 C 32 C ? -1.3 THR 221 D 231 D ? -0.1 ARG 223 D 233 D ? -0.6 ALA 224 D 234 D ? -0.2 +1510 THR 221 D 231 D ? ALA 219 D 229 D ? -0.8 PHE 222 D 232 D ? -0.2 ALA 224 D 234 D ? -0.6 ASP 215 D 225 D ? -0.1 +1511 PHE 222 D 232 D ? ARG 223 D 233 D ? -0.2 ARG 259 A 269 A ? -0.1 ARG 259 A 269 A ? -0.2 THR 221 D 231 D ? -0.2 +1512 ARG 223 D 233 D ? SER 220 D 230 D ? -0.6 ALA 224 D 234 D ? -0.2 PHE 225 D 235 D ? -1.8 PHE 222 D 232 D ? -0.2 +1513 ALA 224 D 234 D ? THR 221 D 231 D ? -0.6 SER 220 D 230 D ? -0.2 ASN 226 D 236 D ? -0.3 ARG 223 D 233 D ? -0.2 +1514 PHE 225 D 235 D ? ARG 223 D 233 D ? -1.8 PHE 222 D 232 D ? -0.2 THR 228 D 238 D ? -0.0 THR 233 D 243 D ? -0.0 +1515 ASN 226 D 236 D ? ALA 224 D 234 D ? -0.3 PRO 227 D 237 D ? -0.1 GLN 229 D 239 D ? -2.4 ASN 257 A 267 A ? -0.0 +1516 PRO 227 D 237 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 239 A 249 A ? -0.3 ILE 238 A 248 A ? -0.2 +1517 THR 228 D 238 D ? ILE 238 A 248 A ? -0.1 VAL 239 A 249 A ? -0.1 ALA 230 D 240 D ? -0.1 ASN 237 A 247 A ? -0.0 +1518 GLN 229 D 239 D ? ASN 226 D 236 D ? -2.4 ALA 230 D 240 D ? -0.1 GLU 234 A 244 A ? -0.1 THR 233 D 243 D ? -0.1 +1519 ALA 230 D 240 D ? THR 228 D 238 D ? -0.1 GLU 233 A 243 A ? -0.1 GLU 234 A 244 A ? -3.3 GLN 229 D 239 D ? -0.1 +1520 GLU 231 D 241 D ? GLU 233 A 243 A ? -0.2 GLU 232 D 242 D ? -0.1 GLU 233 A 243 A ? -0.2 GLU 232 A 242 A ? -0.1 +1521 GLU 232 D 242 D ? GLU 232 A 242 A ? -2.1 GLN 231 A 241 A ? -0.2 GLU 231 D 241 D ? -0.1 ALA 230 D 240 D ? -0.1 +1522 THR 233 D 243 D ? GLN 229 D 239 D ? -0.1 LEU 212 D 222 D ? -0.1 PHE 213 D 223 D ? -2.4 SER 235 D 245 D ? -0.3 +1523 TYR 234 D 244 D ? LEU 212 D 222 D ? -0.3 GLY 436 C 458 C ? -0.1 MET 236 D 246 D ? -0.7 LEU 212 D 222 D ? -0.3 +1524 SER 235 D 245 D ? THR 211 D 221 D ? -2.7 THR 233 D 243 D ? -0.3 ALA 239 D 249 D ? -2.0 ASN 240 D 250 D ? -0.1 +1525 MET 236 D 246 D ? TYR 234 D 244 D ? -0.7 THR 238 D 248 D ? -0.2 ASN 240 D 250 D ? -2.2 SER 235 D 245 D ? -0.2 +1526 VAL 237 D 247 D ? ALA 239 D 249 D ? -0.2 THR 238 D 248 D ? -0.2 ARG 241 D 251 D ? -1.9 MET 236 D 246 D ? -0.2 +1527 THR 238 D 248 D ? ASN 240 D 250 D ? -0.2 ALA 239 D 249 D ? -0.2 PHE 242 D 252 D ? -2.7 MET 236 D 246 D ? -0.2 +1528 ALA 239 D 249 D ? SER 235 D 245 D ? -2.0 ASN 240 D 250 D ? -0.2 TRP 243 D 253 D ? -2.3 SER 244 D 254 D ? -0.2 +1529 ASN 240 D 250 D ? MET 236 D 246 D ? -2.2 ARG 241 D 251 D ? -0.2 SER 244 D 254 D ? -2.3 THR 238 D 248 D ? -0.2 +1530 ARG 241 D 251 D ? VAL 237 D 247 D ? -1.9 TRP 243 D 253 D ? -0.2 GLN 245 D 255 D ? -2.2 ILE 246 D 256 D ? -0.2 +1531 PHE 242 D 252 D ? THR 238 D 248 D ? -2.7 TRP 243 D 253 D ? -0.2 ILE 246 D 256 D ? -1.6 GLN 245 D 255 D ? -0.2 +1532 TRP 243 D 253 D ? ALA 239 D 249 D ? -2.3 SER 244 D 254 D ? -0.2 PHE 247 D 257 D ? -3.0 GLY 248 D 258 D ? -1.1 +1533 SER 244 D 254 D ? ASN 240 D 250 D ? -2.3 ALA 239 D 249 D ? -0.2 GLY 248 D 258 D ? -0.5 TRP 243 D 253 D ? -0.2 +1534 GLN 245 D 255 D ? ARG 241 D 251 D ? -2.2 PHE 242 D 252 D ? -0.2 TYR 19 A 29 A ? -1.8 TRP 243 D 253 D ? -0.2 +1535 ILE 246 D 256 D ? PHE 242 D 252 D ? -1.6 ARG 241 D 251 D ? -0.2 SER 244 D 254 D ? -0.2 TRP 243 D 253 D ? -0.2 +1536 PHE 247 D 257 D ? TRP 243 D 253 D ? -3.0 ILE 249 D 259 D ? -0.3 SER 244 D 254 D ? -0.2 GLN 245 D 255 D ? -0.1 +1537 GLY 248 D 258 D ? TRP 243 D 253 D ? -1.1 SER 244 D 254 D ? -0.5 ALA 250 D 260 D ? -0.3 SER 244 D 254 D ? -0.1 +1538 ILE 249 D 259 D ? TRP 243 D 253 D ? -0.3 ARG 24 O 24 T ? -0.0 PHE 251 D 261 D ? -0.3 PHE 247 D 257 D ? -0.3 +1539 ALA 250 D 260 D ? GLY 248 D 258 D ? -0.3 PHE 247 D 257 D ? -0.1 SER 252 D 262 D ? -0.2 ASN 240 D 250 D ? -0.1 +1540 PHE 251 D 261 D ? ILE 249 D 259 D ? -0.3 SER 252 D 262 D ? -0.1 SER 244 D 254 D ? -0.1 TRP 243 D 253 D ? -0.1 +1541 SER 252 D 262 D ? ALA 250 D 260 D ? -0.2 ASN 253 D 263 D ? -0.2 LYS 254 D 264 D ? -0.6 GLY 230 A 240 A ? -0.2 +1542 ASN 253 D 263 D ? LYS 254 D 264 D ? -0.1 PHE 229 A 239 A ? -0.1 LEU 257 D 267 D ? -2.2 SER 252 D 262 D ? -0.2 +1543 LYS 254 D 264 D ? SER 252 D 262 D ? -0.6 TRP 256 D 266 D ? -0.2 HIS 258 D 268 D ? -1.8 ASN 253 D 263 D ? -0.1 +1544 ARG 255 D 265 D ? ASN 224 A 234 A ? -0.3 LEU 257 D 267 D ? -0.2 PHE 259 D 269 D ? -2.2 LYS 254 D 264 D ? -0.2 +1545 TRP 256 D 266 D ? HIS 258 D 268 D ? -0.2 LEU 257 D 267 D ? -0.2 PHE 260 D 270 D ? -2.7 LYS 254 D 264 D ? -0.2 +1546 LEU 257 D 267 D ? ASN 253 D 263 D ? -2.2 HIS 258 D 268 D ? -0.2 MET 261 D 271 D ? -1.7 ARG 255 D 265 D ? -0.2 +1547 HIS 258 D 268 D ? LYS 254 D 264 D ? -1.8 PHE 259 D 269 D ? -0.2 LEU 262 D 272 D ? -1.0 LEU 257 D 267 D ? -0.2 +1548 PHE 259 D 269 D ? ARG 255 D 265 D ? -2.2 MET 261 D 271 D ? -0.2 PHE 263 D 273 D ? -2.9 HIS 258 D 268 D ? -0.2 +1549 PHE 260 D 270 D ? TRP 256 D 266 D ? -2.7 MET 261 D 271 D ? -0.2 VAL 264 D 274 D ? -2.5 HIS 258 D 268 D ? -0.2 +1550 MET 261 D 271 D ? LEU 257 D 267 D ? -1.7 PHE 263 D 273 D ? -0.2 PHE 260 D 270 D ? -0.2 PHE 259 D 269 D ? -0.2 +1551 LEU 262 D 272 D ? HIS 258 D 268 D ? -1.0 PHE 259 D 269 D ? -0.2 VAL 266 D 276 D ? -1.4 PHE 260 D 270 D ? -0.2 +1552 PHE 263 D 273 D ? PHE 259 D 269 D ? -2.9 VAL 264 D 274 D ? -0.2 THR 267 D 277 D ? -2.4 GLY 268 D 278 D ? -0.3 +1553 VAL 264 D 274 D ? PHE 260 D 270 D ? -2.5 PRO 265 D 275 D ? -0.2 GLY 268 D 278 D ? -2.1 PHE 263 D 273 D ? -0.2 +1554 PRO 265 D 275 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 269 D 279 D ? -2.2 TRP 270 D 280 D ? -0.2 +1555 VAL 266 D 276 D ? LEU 262 D 272 D ? -1.4 GLY 268 D 278 D ? -0.2 TRP 270 D 280 D ? -2.0 VAL 264 D 274 D ? -0.2 +1556 THR 267 D 277 D ? PHE 263 D 273 D ? -2.4 LEU 262 D 272 D ? -0.2 MET 271 D 281 D ? -2.3 VAL 266 D 276 D ? -0.2 +1557 GLY 268 D 278 D ? VAL 264 D 274 D ? -2.1 PHE 263 D 273 D ? -0.3 SER 272 D 282 D ? -2.0 VAL 266 D 276 D ? -0.2 +1558 LEU 269 D 279 D ? PRO 265 D 275 D ? -2.2 TRP 270 D 280 D ? -0.2 ALA 273 D 283 D ? -2.2 GLY 268 D 278 D ? -0.2 +1559 TRP 270 D 280 D ? VAL 266 D 276 D ? -2.0 MET 271 D 281 D ? -0.2 ILE 274 D 284 D ? -1.5 LEU 269 D 279 D ? -0.2 +1560 MET 271 D 281 D ? THR 267 D 277 D ? -2.3 SER 272 D 282 D ? -0.2 GLY 275 D 285 D ? -1.5 TRP 270 D 280 D ? -0.2 +1561 SER 272 D 282 D ? GLY 268 D 278 D ? -2.0 ALA 273 D 283 D ? -0.2 VAL 276 D 286 D ? -1.8 MET 271 D 281 D ? -0.2 +1562 ALA 273 D 283 D ? LEU 269 D 279 D ? -2.2 ILE 274 D 284 D ? -0.2 VAL 277 D 287 D ? -1.6 SER 272 D 282 D ? -0.2 +1563 ILE 274 D 284 D ? TRP 270 D 280 D ? -1.5 GLY 275 D 285 D ? -0.2 GLY 278 D 288 D ? -1.5 ALA 273 D 283 D ? -0.2 +1564 GLY 275 D 285 D ? MET 271 D 281 D ? -1.5 VAL 276 D 286 D ? -0.2 LEU 279 D 289 D ? -1.5 ILE 274 D 284 D ? -0.2 +1565 VAL 276 D 286 D ? SER 272 D 282 D ? -1.8 GLY 278 D 288 D ? -0.2 ALA 280 D 290 D ? -1.3 GLY 275 D 285 D ? -0.2 +1566 VAL 277 D 287 D ? ALA 273 D 283 D ? -1.6 LEU 279 D 289 D ? -0.2 LEU 281 D 291 D ? -0.5 VAL 276 D 286 D ? -0.2 +1567 GLY 278 D 288 D ? ILE 274 D 284 D ? -1.5 LEU 279 D 289 D ? -0.2 LEU 283 D 293 D ? -2.9 LEU 281 D 291 D ? -1.1 +1568 LEU 279 D 289 D ? GLY 275 D 285 D ? -1.5 ALA 280 D 290 D ? -0.3 ASN 282 D 292 D ? -2.0 GLY 278 D 288 D ? -0.2 +1569 ALA 280 D 290 D ? VAL 276 D 286 D ? -1.3 LEU 281 D 291 D ? -0.3 LEU 279 D 289 D ? -0.3 GLY 278 D 288 D ? -0.2 +1570 LEU 281 D 291 D ? GLY 278 D 288 D ? -1.1 VAL 277 D 287 D ? -0.5 GLY 321 B 322 B ? -0.4 ALA 280 D 290 D ? -0.3 +1571 ASN 282 D 292 D ? LEU 279 D 289 D ? -2.0 LEU 283 D 293 D ? -0.2 ARG 284 D 294 D ? -1.9 LEU 279 D 289 D ? -0.3 +1572 LEU 283 D 293 D ? GLY 278 D 288 D ? -2.9 VAL 277 D 287 D ? -0.2 GLY 322 B 323 B ? -0.2 ASN 282 D 292 D ? -0.2 +1573 ARG 284 D 294 D ? ASN 282 D 292 D ? -1.9 GLY 321 B 322 B ? -0.6 LEU 323 B 324 B ? -1.6 TYR 286 D 296 D ? -0.9 +1574 SER 285 D 295 D ? HIS 179 D 189 D ? -0.4 GLY 322 B 323 B ? -0.2 LEU 183 D 193 D ? -0.1 GLY 322 B 323 B ? -0.1 +1575 TYR 286 D 296 D ? ARG 284 D 294 D ? -0.9 ASP 287 D 297 D ? -0.1 PHE 288 D 298 D ? -0.2 SER 285 D 295 D ? -0.2 +1576 ASP 287 D 297 D ? ARG 284 D 294 D ? -0.2 ALA 170 M 173 O ? -0.0 ILE 289 D 299 D ? -0.4 PHE 324 B 325 B ? -0.1 +1577 PHE 288 D 298 D ? TYR 286 D 296 D ? -0.2 ILE 289 D 299 D ? -0.1 GLU 292 D 302 D ? -1.5 GLN 291 D 301 D ? -0.5 +1578 ILE 289 D 299 D ? ASP 287 D 297 D ? -0.4 SER 290 D 300 D ? -0.2 ILE 293 D 303 D ? -2.4 ARG 294 D 304 D ? -0.2 +1579 SER 290 D 300 D ? ASN 36 K 37 L ? -2.7 GLN 291 D 301 D ? -0.2 ARG 294 D 304 D ? -2.1 GLU 2 L 2 M ? -0.4 +1580 GLN 291 D 301 D ? PHE 288 D 298 D ? -0.5 GLU 292 D 302 D ? -0.2 ALA 295 D 305 D ? -2.6 SER 290 D 300 D ? -0.2 +1581 GLU 292 D 302 D ? PHE 288 D 298 D ? -1.5 ARG 294 D 304 D ? -0.2 ALA 296 D 306 D ? -2.8 GLN 291 D 301 D ? -0.2 +1582 ILE 293 D 303 D ? ILE 289 D 299 D ? -2.4 ALA 295 D 305 D ? -0.2 GLU 297 D 307 D ? -1.5 GLN 291 D 301 D ? -0.2 +1583 ARG 294 D 304 D ? SER 290 D 300 D ? -2.1 ILE 289 D 299 D ? -0.2 ASP 298 D 308 D ? -2.0 GLU 297 D 307 D ? -0.3 +1584 ALA 295 D 305 D ? GLN 291 D 301 D ? -2.6 ALA 296 D 306 D ? -0.2 PHE 301 D 311 D ? -0.2 ILE 293 D 303 D ? -0.2 +1585 ALA 296 D 306 D ? GLU 292 D 302 D ? -2.8 GLU 297 D 307 D ? -0.2 ALA 295 D 305 D ? -0.2 ARG 294 D 304 D ? -0.2 +1586 GLU 297 D 307 D ? ILE 293 D 303 D ? -1.5 ARG 294 D 304 D ? -0.3 ALA 295 D 305 D ? -0.2 ALA 296 D 306 D ? -0.2 +1587 ASP 298 D 308 D ? ARG 294 D 304 D ? -2.0 ILE 293 D 303 D ? -0.2 PHE 301 D 311 D ? -2.1 GLU 297 D 307 D ? -0.2 +1588 PRO 299 D 309 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 298 D 308 D ? -0.1 LYS 157 M 160 O ? -0.1 +1589 GLU 300 D 310 D ? ASP 155 M 158 O ? -0.1 PRO 156 M 159 O ? -0.1 GLU 302 D 312 D ? -0.6 ALA 295 D 305 D ? -0.1 +1590 PHE 301 D 311 D ? ASP 298 D 308 D ? -2.1 ALA 295 D 305 D ? -0.2 THR 303 D 313 D ? -0.3 VAL 57 A 67 A ? -0.1 +1591 GLU 302 D 312 D ? GLU 300 D 310 D ? -0.6 PRO 56 A 66 A ? -0.1 SER 58 A 68 A ? -3.2 PHE 304 D 314 D ? -0.3 +1592 THR 303 D 313 D ? PHE 301 D 311 D ? -0.3 VAL 57 A 67 A ? -0.2 LYS 307 D 317 D ? -2.0 ASN 308 D 318 D ? -0.1 +1593 PHE 304 D 314 D ? THR 69 A 79 A ? -0.5 SER 58 A 68 A ? -0.3 ASN 308 D 318 D ? -1.6 LEU 309 D 319 D ? -0.1 +1594 TYR 305 D 315 D ? LYS 307 D 317 D ? -0.2 THR 306 D 316 D ? -0.2 LEU 309 D 319 D ? -1.3 PHE 304 D 314 D ? -0.2 +1595 THR 306 D 316 D ? LYS 307 D 317 D ? -0.2 ASN 308 D 318 D ? -0.2 LEU 310 D 320 D ? -1.5 PHE 304 D 314 D ? -0.2 +1596 LYS 307 D 317 D ? THR 303 D 313 D ? -2.0 ASN 308 D 318 D ? -0.2 LEU 311 D 321 D ? -1.3 THR 306 D 316 D ? -0.2 +1597 ASN 308 D 318 D ? PHE 304 D 314 D ? -1.6 LEU 309 D 319 D ? -0.2 ASN 312 D 322 D ? -1.9 LYS 307 D 317 D ? -0.2 +1598 LEU 309 D 319 D ? TYR 305 D 315 D ? -1.3 LEU 311 D 321 D ? -0.2 GLU 313 D 323 D ? -2.7 ASN 308 D 318 D ? -0.2 +1599 LEU 310 D 320 D ? THR 306 D 316 D ? -1.5 LEU 311 D 321 D ? -0.2 GLY 314 D 324 D ? -1.8 ASN 308 D 318 D ? -0.2 +1600 LEU 311 D 321 D ? LYS 307 D 317 D ? -1.3 GLU 313 D 323 D ? -0.2 ILE 315 D 325 D ? -2.4 LEU 310 D 320 D ? -0.2 +1601 ASN 312 D 322 D ? ASN 308 D 318 D ? -1.9 GLU 313 D 323 D ? -0.2 ARG 316 D 326 D ? -2.5 LEU 310 D 320 D ? -0.2 +1602 GLU 313 D 323 D ? LEU 309 D 319 D ? -2.7 GLY 314 D 324 D ? -0.2 ALA 317 D 327 D ? -1.9 ASN 312 D 322 D ? -0.2 +1603 GLY 314 D 324 D ? LEU 310 D 320 D ? -1.8 LEU 309 D 319 D ? -0.2 TRP 318 D 328 D ? -2.1 MET 319 D 329 D ? -0.3 +1604 ILE 315 D 325 D ? LEU 311 D 321 D ? -2.4 GLY 317 A 327 A ? -0.3 MET 319 D 329 D ? -2.3 ALA 320 D 330 D ? -0.3 +1605 ARG 316 D 326 D ? ASN 312 D 322 D ? -2.5 ALA 317 D 327 D ? -0.2 ALA 320 D 330 D ? -1.7 GLY 314 D 324 D ? -0.2 +1606 ALA 317 D 327 D ? GLU 313 D 323 D ? -1.9 TRP 318 D 328 D ? -0.2 ARG 316 D 326 D ? -0.2 ILE 315 D 325 D ? -0.2 +1607 TRP 318 D 328 D ? GLY 314 D 324 D ? -2.1 GLU 313 D 323 D ? -0.2 GLN 322 D 332 D ? -0.3 ALA 317 D 327 D ? -0.2 +1608 MET 319 D 329 D ? ILE 315 D 325 D ? -2.3 GLY 314 D 324 D ? -0.3 ASP 323 D 333 D ? -2.1 GLN 324 D 334 D ? -0.2 +1609 ALA 320 D 330 D ? ARG 316 D 326 D ? -1.7 ILE 315 D 325 D ? -0.3 GLN 324 D 334 D ? -2.2 GLU 327 D 337 D ? -0.2 +1610 PRO 321 D 331 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 320 D 330 D ? -0.2 PHE 329 D 339 D ? -0.2 +1611 GLN 322 D 332 D ? TRP 318 D 328 D ? -0.3 ASP 323 D 333 D ? -0.2 ALA 320 D 330 D ? -0.2 MET 319 D 329 D ? -0.1 +1612 ASP 323 D 333 D ? MET 319 D 329 D ? -2.1 GLN 324 D 334 D ? -0.2 GLN 322 D 332 D ? -0.2 ALA 320 D 330 D ? -0.2 +1613 GLN 324 D 334 D ? ALA 320 D 330 D ? -2.2 MET 319 D 329 D ? -0.2 GLU 327 D 337 D ? -1.7 PHE 329 D 339 D ? -0.5 +1614 PRO 325 D 335 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASN 328 D 338 D ? -1.5 GLN 324 D 334 D ? -0.1 +1615 HIS 326 D 336 D ? GLU 327 D 337 D ? -0.3 THR 50 D 60 D ? -0.2 HIS 51 D 61 D ? -0.0 ALA 72 D 82 D ? -0.0 +1616 GLU 327 D 337 D ? GLN 324 D 334 D ? -1.7 ALA 320 D 330 D ? -0.2 HIS 326 D 336 D ? -0.3 ALA 320 D 330 D ? -0.0 +1617 ASN 328 D 338 D ? PRO 325 D 335 D ? -1.5 GLN 324 D 334 D ? -0.3 VAL 330 D 340 D ? -0.2 HIS 326 D 336 D ? -0.1 +1618 PHE 329 D 339 D ? GLN 324 D 334 D ? -0.5 PRO 321 D 331 D ? -0.2 PHE 331 D 341 D ? -0.4 ASN 328 D 338 D ? -0.2 +1619 VAL 330 D 340 D ? ASN 328 D 338 D ? -0.2 PRO 332 D 342 D ? -0.0 PHE 329 D 339 D ? -0.0 GLY 374 B 375 B ? -0.0 +1620 PHE 331 D 341 D ? PHE 329 D 339 D ? -0.4 ALA 317 D 327 D ? -0.1 LEU 336 D 346 D ? -0.1 PHE 329 D 339 D ? -0.0 +1621 PRO 332 D 342 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 335 D 345 D ? -1.8 LEU 336 D 346 D ? -0.7 +1622 GLU 333 D 343 D ? GLU 334 D 344 D ? -0.3 VAL 335 D 345 D ? -0.2 LEU 336 D 346 D ? -1.5 ARG 383 B 384 B ? -0.2 +1623 GLU 334 D 344 D ? VAL 335 D 345 D ? -0.3 GLU 386 B 387 B ? -0.2 PHE 382 B 383 B ? -4.2 ARG 383 B 384 B ? -0.8 +1624 VAL 335 D 345 D ? PRO 332 D 342 D ? -1.8 PRO 381 B 382 B ? -0.3 GLU 334 D 344 D ? -0.3 GLU 333 D 343 D ? -0.2 +1625 LEU 336 D 346 D ? GLU 333 D 343 D ? -1.5 PRO 332 D 342 D ? -0.7 ARG 338 D 348 D ? -0.4 ARG 383 B 384 B ? -0.3 +1626 PRO 337 D 347 D ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 339 D 349 D ? -0.3 VAL 320 A 330 A ? -0.1 +1627 ARG 338 D 348 D ? LEU 336 D 346 D ? -0.4 MET 321 A 331 A ? -0.1 MET 321 A 331 A ? -0.2 GLY 164 M 167 O ? -0.1 +1628 GLY 339 D 349 D ? VAL 320 A 330 A ? -3.8 PRO 337 D 347 D ? -0.3 ASN 325 A 335 A ? -0.2 ARG 324 A 334 A ? -0.1 +1629 ASN 340 D 350 D ? ARG 324 A 334 A ? -3.2 ALA 341 D 351 D ? -0.2 LEU 342 D 352 D ? -2.5 HIS 327 A 337 A ? -0.2 +1630 ALA 341 D 351 D ? GLY 93 P 101 U ? -1.7 LEU 342 D 352 D ? -0.2 TYR 95 P 103 U ? -0.3 ASN 340 D 350 D ? -0.2 +1631 LEU 342 D 352 D ? ASN 340 D 350 D ? -2.5 HIS 327 A 337 A ? -0.2 ALA 341 D 351 D ? -0.2 ASN 340 D 350 D ? -0.2 +1632 THR 1 E 4 E ? THR 2 E 5 E ? -0.1 GLY 3 E 6 E ? -0.0 GLU 491 B 492 B ? -0.0 ? ? ? ? ? ? ? +1633 THR 2 E 5 E ? GLU 4 E 7 E ? -0.1 TRP 492 B 493 B ? -0.1 THR 1 E 4 E ? -0.1 GLY 493 B 494 B ? -0.1 +1634 GLY 3 E 6 E ? GLU 4 E 7 E ? -0.5 ARG 16 D 26 D ? -0.1 ARG 5 E 8 E ? -0.1 ARG 16 D 26 D ? -0.1 +1635 GLU 4 E 7 E ? ARG 5 E 8 E ? -0.1 TYR 2 F 13 F ? -0.1 GLY 3 E 6 E ? -0.5 THR 2 E 5 E ? -0.1 +1636 ARG 5 E 8 E ? PRO 3 F 14 F ? -0.4 PRO 6 E 9 E ? -0.1 GLU 4 E 7 E ? -0.1 ILE 10 E 13 E ? -0.1 +1637 PRO 6 E 9 E ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 10 E 13 E ? -1.8 ASP 9 E 12 E ? -0.3 +1638 PHE 7 E 10 E ? SER 8 E 11 E ? -0.2 ASP 9 E 12 E ? -0.2 ILE 11 E 14 E ? -3.0 THR 12 E 15 E ? -0.2 +1639 SER 8 E 11 E ? ASP 9 E 12 E ? -0.2 ILE 10 E 13 E ? -0.2 THR 12 E 15 E ? -0.6 PHE 7 E 10 E ? -0.2 +1640 ASP 9 E 12 E ? PRO 6 E 9 E ? -0.3 ILE 11 E 14 E ? -0.1 THR 12 E 15 E ? -0.4 GLY 4 I 5 J ? -0.3 +1641 ILE 10 E 13 E ? PRO 6 E 9 E ? -1.8 ILE 11 E 14 E ? -0.2 SER 13 E 16 E ? -1.8 TYR 16 E 19 E ? -0.4 +1642 ILE 11 E 14 E ? PHE 7 E 10 E ? -3.0 THR 12 E 15 E ? -0.3 ILE 10 E 13 E ? -0.2 ASP 9 E 12 E ? -0.1 +1643 THR 12 E 15 E ? SER 8 E 11 E ? -0.6 ASP 9 E 12 E ? -0.4 ILE 6 I 7 J ? -2.4 GLY 4 I 5 J ? -0.7 +1644 SER 13 E 16 E ? ILE 10 E 13 E ? -1.8 GLY 3 I 4 J ? -0.2 TRP 17 E 20 E ? -1.2 GLY 3 I 4 J ? -0.2 +1645 VAL 14 E 17 E ? GLU 2 I 3 J ? -0.5 THR 12 E 15 E ? -0.2 VAL 18 E 21 E ? -2.5 ILE 19 E 22 E ? -0.2 +1646 ARG 15 E 18 E ? TYR 16 E 19 E ? -0.2 TRP 17 E 20 E ? -0.2 ILE 19 E 22 E ? -2.2 HIS 20 E 23 E ? -0.2 +1647 TYR 16 E 19 E ? ILE 10 E 13 E ? -0.4 TRP 17 E 20 E ? -0.2 HIS 20 E 23 E ? -2.8 ARG 15 E 18 E ? -0.2 +1648 TRP 17 E 20 E ? SER 13 E 16 E ? -1.2 ILE 19 E 22 E ? -0.2 SER 21 E 24 E ? -2.2 ARG 15 E 18 E ? -0.2 +1649 VAL 18 E 21 E ? VAL 14 E 17 E ? -2.5 HIS 20 E 23 E ? -0.2 ILE 22 E 25 E ? -0.5 TRP 17 E 20 E ? -0.2 +1650 ILE 19 E 22 E ? ARG 15 E 18 E ? -2.2 HIS 20 E 23 E ? -0.2 THR 23 E 26 E ? -1.9 ILE 22 E 25 E ? -1.1 +1651 HIS 20 E 23 E ? TYR 16 E 19 E ? -2.8 SER 21 E 24 E ? -0.3 ILE 24 E 27 E ? -1.9 ILE 19 E 22 E ? -0.2 +1652 SER 21 E 24 E ? TRP 17 E 20 E ? -2.2 TYR 16 E 19 E ? -0.2 HIS 20 E 23 E ? -0.3 ILE 19 E 22 E ? -0.2 +1653 ILE 22 E 25 E ? ILE 19 E 22 E ? -1.1 VAL 18 E 21 E ? -0.5 ALA 26 E 29 E ? -2.1 HIS 20 E 23 E ? -0.2 +1654 THR 23 E 26 E ? ILE 19 E 22 E ? -1.9 ILE 24 E 27 E ? -0.2 LEU 27 E 30 E ? -1.8 PHE 28 E 31 E ? -0.2 +1655 ILE 24 E 27 E ? HIS 20 E 23 E ? -1.9 ALA 26 E 29 E ? -0.2 PHE 28 E 31 E ? -2.1 THR 23 E 26 E ? -0.2 +1656 PRO 25 E 28 E ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 29 E 32 E ? -3.4 ALA 30 E 33 E ? -0.3 +1657 ALA 26 E 29 E ? ILE 22 E 25 E ? -2.1 LEU 27 E 30 E ? -0.2 ALA 30 E 33 E ? -1.9 ILE 24 E 27 E ? -0.2 +1658 LEU 27 E 30 E ? THR 23 E 26 E ? -1.8 ILE 29 E 32 E ? -0.2 GLY 31 E 34 E ? -2.5 ALA 26 E 29 E ? -0.2 +1659 PHE 28 E 31 E ? ILE 24 E 27 E ? -2.1 ILE 29 E 32 E ? -0.2 TRP 32 E 35 E ? -2.3 ALA 26 E 29 E ? -0.2 +1660 ILE 29 E 32 E ? PRO 25 E 28 E ? -3.4 ALA 30 E 33 E ? -0.2 LEU 33 E 36 E ? -2.7 PHE 28 E 31 E ? -0.2 +1661 ALA 30 E 33 E ? ALA 26 E 29 E ? -1.9 PRO 25 E 28 E ? -0.3 PHE 34 E 37 E ? -1.8 ILE 29 E 32 E ? -0.2 +1662 GLY 31 E 34 E ? LEU 27 E 30 E ? -2.5 LEU 33 E 36 E ? -0.2 VAL 35 E 38 E ? -1.0 ILE 29 E 32 E ? -0.2 +1663 TRP 32 E 35 E ? PHE 28 E 31 E ? -2.3 LEU 33 E 36 E ? -0.2 SER 36 E 39 E ? -2.7 VAL 35 E 38 E ? -0.9 +1664 LEU 33 E 36 E ? ILE 29 E 32 E ? -2.7 PHE 34 E 37 E ? -0.2 THR 37 E 40 E ? -2.4 LEU 39 E 42 E ? -0.4 +1665 PHE 34 E 37 E ? ALA 30 E 33 E ? -1.8 ILE 29 E 32 E ? -0.2 ALA 40 E 43 E ? -2.3 LEU 33 E 36 E ? -0.2 +1666 VAL 35 E 38 E ? GLY 31 E 34 E ? -1.0 TRP 32 E 35 E ? -0.9 GLY 38 E 41 E ? -2.2 TYR 41 E 44 E ? -0.2 +1667 SER 36 E 39 E ? TRP 32 E 35 E ? -2.7 THR 37 E 40 E ? -0.3 LEU 33 E 36 E ? -0.2 PHE 34 E 37 E ? -0.2 +1668 THR 37 E 40 E ? LEU 33 E 36 E ? -2.4 TRP 32 E 35 E ? -0.2 SER 36 E 39 E ? -0.3 PHE 34 E 37 E ? -0.1 +1669 GLY 38 E 41 E ? VAL 35 E 38 E ? -2.2 LEU 33 E 36 E ? -0.2 ASP 42 E 45 E ? -1.0 TYR 41 E 44 E ? -0.6 +1670 LEU 39 E 42 E ? LEU 33 E 36 E ? -0.4 ALA 40 E 43 E ? -0.2 VAL 43 E 46 E ? -2.3 ASP 42 E 45 E ? -0.5 +1671 ALA 40 E 43 E ? PHE 34 E 37 E ? -2.3 TYR 41 E 44 E ? -0.3 PHE 44 E 47 E ? -1.8 THR 46 E 49 E ? -0.3 +1672 TYR 41 E 44 E ? GLY 38 E 41 E ? -0.6 VAL 35 E 38 E ? -0.2 GLY 45 E 48 E ? -1.8 THR 46 E 49 E ? -1.1 +1673 ASP 42 E 45 E ? GLY 38 E 41 E ? -1.0 LEU 39 E 42 E ? -0.5 ALA 40 E 43 E ? -0.2 TYR 41 E 44 E ? -0.2 +1674 VAL 43 E 46 E ? LEU 39 E 42 E ? -2.3 PHE 44 E 47 E ? -0.2 ASP 42 E 45 E ? -0.2 TYR 41 E 44 E ? -0.2 +1675 PHE 44 E 47 E ? ALA 40 E 43 E ? -1.8 LEU 39 E 42 E ? -0.2 ASP 42 E 45 E ? -0.2 VAL 43 E 46 E ? -0.2 +1676 GLY 45 E 48 E ? TYR 41 E 44 E ? -1.8 ALA 40 E 43 E ? -0.3 ASP 42 E 45 E ? -0.2 TYR 41 E 44 E ? -0.1 +1677 THR 46 E 49 E ? TYR 41 E 44 E ? -1.1 ALA 40 E 43 E ? -0.3 GLY 45 E 48 E ? -0.2 PHE 44 E 47 E ? -0.1 +1678 PRO 47 E 50 E ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 52 E 55 E ? -0.1 THR 46 E 49 E ? -0.1 +1679 ARG 48 E 51 E ? PRO 49 E 52 E ? -0.1 SER 51 E 54 E ? -0.0 SER 51 E 54 E ? -3.0 TYR 52 E 55 E ? -0.2 +1680 PRO 49 E 52 E ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 299 A 309 A ? -2.7 LYS 300 A 310 A ? -0.4 +1681 ASP 50 E 53 E ? ASP 298 A 308 A ? -0.2 SER 51 E 54 E ? -0.2 GLN 55 E 58 E ? -0.0 ASP 298 A 308 A ? -0.0 +1682 SER 51 E 54 E ? ARG 48 E 51 E ? -3.0 TYR 52 E 55 E ? -0.1 ALA 1 Q 1 V ? -0.2 ASP 50 E 53 E ? -0.2 +1683 TYR 52 E 55 E ? PRO 49 E 52 E ? -0.4 TYR 53 E 56 E ? -0.2 ALA 54 E 57 E ? -0.3 ALA 1 Q 1 V ? -0.2 +1684 TYR 53 E 56 E ? ALA 1 Q 1 V ? -0.1 ILE 60 E 63 E ? -0.1 TYR 52 E 55 E ? -0.2 GLN 55 E 58 E ? -0.2 +1685 ALA 54 E 57 E ? TYR 52 E 55 E ? -0.3 SER 51 E 54 E ? -0.1 GLN 57 E 60 E ? -0.3 LEU 80 E 83 E ? -0.1 +1686 GLN 55 E 58 E ? GLU 56 E 59 E ? -0.2 TYR 53 E 56 E ? -0.2 ALA 54 E 57 E ? -0.1 LEU 80 E 83 E ? -0.0 +1687 GLU 56 E 59 E ? ALA 1 Q 1 V ? -0.0 ARG 58 E 61 E ? -0.0 GLN 55 E 58 E ? -0.2 ARG 58 E 61 E ? -0.1 +1688 GLN 57 E 60 E ? ALA 54 E 57 E ? -0.3 ARG 58 E 61 E ? -0.1 TYR 53 E 56 E ? -0.0 ILE 60 E 63 E ? -0.0 +1689 ARG 58 E 61 E ? GLU 56 E 59 E ? -0.1 ILE 60 E 63 E ? -0.1 ILE 60 E 63 E ? -0.3 GLN 57 E 60 E ? -0.1 +1690 SER 59 E 62 E ? ILE 60 E 63 E ? -0.0 LEU 62 E 65 E ? -0.0 GLN 57 E 60 E ? -0.1 ? ? ? ? ? ? ? +1691 ILE 60 E 63 E ? ARG 58 E 61 E ? -0.3 PRO 61 E 64 E ? -0.1 LEU 62 E 65 E ? -2.1 TYR 53 E 56 E ? -0.1 +1692 PRO 61 E 64 E ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 63 E 66 E ? -0.3 GLY 52 D 62 D ? -0.1 +1693 LEU 62 E 65 E ? ILE 60 E 63 E ? -2.1 HIS 51 D 61 D ? -0.1 THR 64 E 67 E ? -0.3 THR 50 D 60 D ? -0.2 +1694 VAL 63 E 66 E ? TYR 49 D 59 D ? -2.5 PRO 61 E 64 E ? -0.3 SER 74 D 84 D ? -0.4 ASN 73 D 83 D ? -0.1 +1695 THR 64 E 67 E ? LEU 62 E 65 E ? -0.3 ASP 65 E 68 E ? -0.1 ARG 66 E 69 E ? -0.4 VAL 63 E 66 E ? -0.1 +1696 ASP 65 E 68 E ? ARG 66 E 69 E ? -0.1 MET 75 D 85 D ? -0.0 ALA 69 E 72 E ? -0.2 GLN 72 E 75 E ? -0.1 +1697 ARG 66 E 69 E ? THR 64 E 67 E ? -0.4 SER 74 D 84 D ? -0.3 ALA 69 E 72 E ? -0.7 LYS 70 E 73 E ? -0.2 +1698 PHE 67 E 70 E ? GLU 68 E 71 E ? -0.2 ALA 69 E 72 E ? -0.1 LYS 70 E 73 E ? -0.2 ARG 66 E 69 E ? -0.1 +1699 GLU 68 E 71 E ? ALA 69 E 72 E ? -0.1 LYS 70 E 73 E ? -0.1 GLN 72 E 75 E ? -2.4 PHE 67 E 70 E ? -0.2 +1700 ALA 69 E 72 E ? ARG 66 E 69 E ? -0.7 LYS 70 E 73 E ? -0.2 VAL 73 E 76 E ? -2.1 GLU 74 E 77 E ? -0.2 +1701 LYS 70 E 73 E ? GLU 86 D 96 D ? -0.4 PHE 67 E 70 E ? -0.2 GLU 74 E 77 E ? -1.7 ALA 69 E 72 E ? -0.2 +1702 GLN 71 E 74 E ? GLN 72 E 75 E ? -0.2 VAL 73 E 76 E ? -0.2 THR 75 E 78 E ? -2.7 ALA 69 E 72 E ? -0.2 +1703 GLN 72 E 75 E ? GLU 68 E 71 E ? -2.4 VAL 73 E 76 E ? -0.2 PHE 76 E 79 E ? -2.4 GLN 71 E 74 E ? -0.2 +1704 VAL 73 E 76 E ? ALA 69 E 72 E ? -2.1 THR 75 E 78 E ? -0.2 LEU 77 E 80 E ? -2.4 GLN 72 E 75 E ? -0.2 +1705 GLU 74 E 77 E ? LYS 70 E 73 E ? -1.7 PHE 76 E 79 E ? -0.2 GLU 78 E 81 E ? -1.9 VAL 73 E 76 E ? -0.2 +1706 THR 75 E 78 E ? GLN 71 E 74 E ? -2.7 LEU 77 E 80 E ? -0.2 GLN 79 E 82 E ? -1.6 VAL 73 E 76 E ? -0.2 +1707 PHE 76 E 79 E ? GLN 72 E 75 E ? -2.4 LEU 77 E 80 E ? -0.2 GLU 74 E 77 E ? -0.2 THR 75 E 78 E ? -0.2 +1708 LEU 77 E 80 E ? VAL 73 E 76 E ? -2.4 GLU 78 E 81 E ? -0.2 LEU 80 E 83 E ? -1.1 PHE 76 E 79 E ? -0.2 +1709 GLU 78 E 81 E ? GLU 74 E 77 E ? -1.9 GLN 79 E 82 E ? -0.2 LYS 81 E 84 E ? -1.4 LEU 77 E 80 E ? -0.2 +1710 GLN 79 E 82 E ? THR 75 E 78 E ? -1.6 LEU 80 E 83 E ? -0.3 GLU 78 E 81 E ? -0.2 LEU 77 E 80 E ? -0.2 +1711 LEU 80 E 83 E ? LEU 77 E 80 E ? -1.1 LYS 81 E 84 E ? -0.3 GLN 79 E 82 E ? -0.3 GLU 78 E 81 E ? -0.1 +1712 LYS 81 E 84 E ? GLU 78 E 81 E ? -1.4 ALA 54 E 57 E ? -0.0 LEU 80 E 83 E ? -0.3 ? ? ? ? ? ? ? +1713 SER 1 F 12 F ? TYR 2 F 13 F ? -0.4 PRO 3 F 14 F ? -0.0 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +1714 TYR 2 F 13 F ? PRO 3 F 14 F ? -0.1 GLU 4 E 7 E ? -0.0 SER 1 F 12 F ? -0.4 GLU 4 E 7 E ? -0.1 +1715 PRO 3 F 14 F ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 5 E 8 E ? -0.4 THR 6 F 17 F ? -0.1 +1716 ILE 4 F 15 F ? PHE 5 F 16 F ? -0.2 TYR 25 N 26 R ? -0.2 THR 6 F 17 F ? -0.9 TRP 9 F 20 F ? -0.1 +1717 PHE 5 F 16 F ? TRP 9 F 20 F ? -0.1 ALA 26 N 27 R ? -0.1 VAL 7 F 18 F ? -0.2 ILE 4 F 15 F ? -0.2 +1718 THR 6 F 17 F ? ILE 4 F 15 F ? -0.9 PRO 3 F 14 F ? -0.1 VAL 10 F 21 F ? -1.8 ALA 11 F 22 F ? -0.1 +1719 VAL 7 F 18 F ? PHE 5 F 16 F ? -0.2 TRP 9 F 20 F ? -0.2 ALA 11 F 22 F ? -2.6 VAL 12 F 23 F ? -0.1 +1720 ARG 8 F 19 F ? VAL 10 F 21 F ? -0.2 TRP 9 F 20 F ? -0.2 VAL 12 F 23 F ? -2.5 HIS 13 F 24 F ? -0.2 +1721 TRP 9 F 20 F ? ALA 11 F 22 F ? -0.2 VAL 10 F 21 F ? -0.2 HIS 13 F 24 F ? -2.4 VAL 7 F 18 F ? -0.2 +1722 VAL 10 F 21 F ? THR 6 F 17 F ? -1.8 ALA 11 F 22 F ? -0.2 THR 14 F 25 F ? -2.5 LEU 15 F 26 F ? -0.2 +1723 ALA 11 F 22 F ? VAL 7 F 18 F ? -2.6 VAL 12 F 23 F ? -0.2 LEU 15 F 26 F ? -0.9 TRP 9 F 20 F ? -0.2 +1724 VAL 12 F 23 F ? ARG 8 F 19 F ? -2.5 HIS 13 F 24 F ? -0.2 ALA 16 F 27 F ? -2.8 LEU 15 F 26 F ? -0.5 +1725 HIS 13 F 24 F ? TRP 9 F 20 F ? -2.4 THR 14 F 25 F ? -0.2 VAL 17 F 28 F ? -2.4 ALA 11 F 22 F ? -0.2 +1726 THR 14 F 25 F ? VAL 10 F 21 F ? -2.5 LEU 15 F 26 F ? -0.2 HIS 13 F 24 F ? -0.2 VAL 12 F 23 F ? -0.2 +1727 LEU 15 F 26 F ? ALA 11 F 22 F ? -0.9 VAL 12 F 23 F ? -0.5 THR 19 F 30 F ? -1.6 HIS 13 F 24 F ? -0.2 +1728 ALA 16 F 27 F ? VAL 12 F 23 F ? -2.8 PRO 18 F 29 F ? -0.2 ILE 20 F 31 F ? -1.9 PHE 21 F 32 F ? -0.2 +1729 VAL 17 F 28 F ? HIS 13 F 24 F ? -2.4 PRO 18 F 29 F ? -0.2 PHE 21 F 32 F ? -1.7 ALA 16 F 27 F ? -0.2 +1730 PRO 18 F 29 F ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 22 F 33 F ? -3.0 LEU 23 F 34 F ? -0.2 +1731 THR 19 F 30 F ? LEU 15 F 26 F ? -1.6 ILE 20 F 31 F ? -0.2 LEU 23 F 34 F ? -2.2 VAL 17 F 28 F ? -0.2 +1732 ILE 20 F 31 F ? ALA 16 F 27 F ? -1.9 PHE 21 F 32 F ? -0.2 GLY 24 F 35 F ? -2.0 THR 19 F 30 F ? -0.2 +1733 PHE 21 F 32 F ? VAL 17 F 28 F ? -1.7 PHE 22 F 33 F ? -0.2 ALA 25 F 36 F ? -1.8 ILE 20 F 31 F ? -0.2 +1734 PHE 22 F 33 F ? PRO 18 F 29 F ? -3.0 LEU 23 F 34 F ? -0.2 ILE 26 F 37 F ? -2.5 ILE 20 F 31 F ? -0.2 +1735 LEU 23 F 34 F ? THR 19 F 30 F ? -2.2 PRO 18 F 29 F ? -0.2 ALA 27 F 38 F ? -2.4 PHE 22 F 33 F ? -0.2 +1736 GLY 24 F 35 F ? ILE 20 F 31 F ? -2.0 ILE 26 F 37 F ? -0.2 ALA 28 F 39 F ? -2.0 PHE 22 F 33 F ? -0.2 +1737 ALA 25 F 36 F ? PHE 21 F 32 F ? -1.8 ALA 27 F 38 F ? -0.2 MET 29 F 40 F ? -1.5 LEU 23 F 34 F ? -0.2 +1738 ILE 26 F 37 F ? PHE 22 F 33 F ? -2.5 ALA 28 F 39 F ? -0.2 GLN 30 F 41 F ? -0.8 GLY 24 F 35 F ? -0.2 +1739 ALA 27 F 38 F ? LEU 23 F 34 F ? -2.4 ALA 28 F 39 F ? -0.2 GLN 30 F 41 F ? -1.3 PHE 31 F 42 F ? -0.2 +1740 ALA 28 F 39 F ? GLY 24 F 35 F ? -2.0 MET 29 F 40 F ? -0.3 PHE 31 F 42 F ? -1.6 ALA 27 F 38 F ? -0.2 +1741 MET 29 F 40 F ? ALA 25 F 36 F ? -1.5 GLN 30 F 41 F ? -0.3 ILE 32 F 43 F ? -1.7 LEU 34 I 35 J ? -0.3 +1742 GLN 30 F 41 F ? ALA 27 F 38 F ? -1.3 ILE 26 F 37 F ? -0.8 MET 29 F 40 F ? -0.3 ALA 28 F 39 F ? -0.2 +1743 PHE 31 F 42 F ? ALA 28 F 39 F ? -1.6 ALA 27 F 38 F ? -0.2 GLN 33 F 44 F ? -0.3 GLN 30 F 41 F ? -0.3 +1744 ILE 32 F 43 F ? MET 29 F 40 F ? -1.7 ALA 32 I 33 J ? -0.1 LEU 34 I 35 J ? -1.6 ARG 34 F 45 F ? -0.3 +1745 GLN 33 F 44 F ? PHE 31 F 42 F ? -0.3 GLY 33 I 34 J ? -0.2 ALA 299 A 309 A ? -0.1 PHE 31 F 42 F ? -0.1 +1746 ARG 34 F 45 F ? ILE 32 F 43 F ? -0.3 ASP 298 A 308 A ? -0.1 GLN 33 F 44 F ? -0.1 ILE 32 F 43 F ? -0.0 +1747 ALA 1 G 2 H ? LEU 119 B 120 B ? -0.1 ARG 2 G 3 H ? -0.1 ARG 3 G 4 H ? -0.5 LEU 119 B 120 B ? -0.2 +1748 ARG 2 G 3 H ? ASP 118 B 119 B ? -2.7 TYR 116 B 117 B ? -0.0 GLU 120 B 121 B ? -2.5 LEU 121 B 122 B ? -0.4 +1749 ARG 3 G 4 H ? ALA 1 G 2 H ? -0.5 LEU 119 B 120 B ? -0.2 TRP 5 G 6 H ? -0.3 LEU 6 G 7 H ? -0.1 +1750 THR 4 G 5 H ? ARG 2 G 3 H ? -0.3 TRP 5 G 6 H ? -0.1 ASP 8 G 9 H ? -2.2 ILE 9 G 10 H ? -0.2 +1751 TRP 5 G 6 H ? ARG 3 G 4 H ? -0.3 GLY 7 G 8 H ? -0.2 ILE 9 G 10 H ? -1.8 LEU 10 G 11 H ? -0.1 +1752 LEU 6 G 7 H ? GLY 7 G 8 H ? -0.2 ASP 8 G 9 H ? -0.2 LEU 10 G 11 H ? -2.5 TRP 5 G 6 H ? -0.2 +1753 GLY 7 G 8 H ? ASP 8 G 9 H ? -0.2 ILE 9 G 10 H ? -0.2 ARG 11 G 12 H ? -1.1 LEU 6 G 7 H ? -0.2 +1754 ASP 8 G 9 H ? THR 4 G 5 H ? -2.2 LEU 10 G 11 H ? -0.2 GLY 7 G 8 H ? -0.2 LEU 6 G 7 H ? -0.2 +1755 ILE 9 G 10 H ? TRP 5 G 6 H ? -1.8 LEU 10 G 11 H ? -0.2 GLY 7 G 8 H ? -0.2 LEU 13 G 14 H ? -0.2 +1756 LEU 10 G 11 H ? LEU 6 G 7 H ? -2.5 ARG 11 G 12 H ? -0.2 LEU 13 G 14 H ? -1.4 ASN 14 G 15 H ? -0.4 +1757 ARG 11 G 12 H ? GLY 7 G 8 H ? -1.1 PRO 12 G 13 H ? -0.3 ASN 14 G 15 H ? -1.8 LEU 10 G 11 H ? -0.2 +1758 PRO 12 G 13 H ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 15 G 16 H ? -1.1 ARG 11 G 12 H ? -0.3 +1759 LEU 13 G 14 H ? LEU 10 G 11 H ? -1.4 ASN 14 G 15 H ? -0.3 ARG 11 G 12 H ? -0.2 ASP 133 B 134 B ? -0.1 +1760 ASN 14 G 15 H ? ARG 11 G 12 H ? -1.8 LEU 10 G 11 H ? -0.4 LEU 13 G 14 H ? -0.3 TYR 17 G 18 H ? -0.1 +1761 SER 15 G 16 H ? PRO 12 G 13 H ? -1.1 ASP 124 B 125 B ? -0.1 LEU 13 G 14 H ? -0.1 ARG 126 B 127 B ? -0.1 +1762 GLU 16 G 17 H ? PRO 12 G 13 H ? -0.2 LEU 13 G 14 H ? -0.1 LYS 19 G 20 H ? -2.2 SER 15 G 16 H ? -0.1 +1763 TYR 17 G 18 H ? GLY 18 G 19 H ? -0.3 ASN 14 G 15 H ? -0.1 ASP 133 B 134 B ? -0.1 GLY 231 B 232 B ? -0.1 +1764 GLY 18 G 19 H ? LYS 19 G 20 H ? -0.2 MET 230 B 231 B ? -0.1 VAL 20 G 21 H ? -0.3 TYR 17 G 18 H ? -0.3 +1765 LYS 19 G 20 H ? GLU 16 G 17 H ? -2.2 VAL 20 G 21 H ? -0.0 ALA 21 G 22 H ? -0.3 GLY 18 G 19 H ? -0.2 +1766 VAL 20 G 21 H ? GLY 18 G 19 H ? -0.3 ARG 219 B 220 B ? -0.1 ARG 219 B 220 B ? -0.1 GLY 23 G 24 H ? -0.0 +1767 ALA 21 G 22 H ? PRO 220 B 221 B ? -2.6 LYS 19 G 20 H ? -0.3 GLN 222 B 223 B ? -2.5 ARG 223 B 224 B ? -0.2 +1768 PRO 22 G 23 H ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 25 G 26 H ? -1.3 ALA 21 G 22 H ? -0.1 +1769 GLY 23 G 24 H ? TRP 24 G 25 H ? -0.2 PRO 221 B 222 B ? -0.1 ARG 223 B 224 B ? -2.1 LEU 224 B 225 B ? -0.4 +1770 TRP 24 G 25 H ? GLY 25 G 26 H ? -0.2 GLN 222 B 223 B ? -0.2 THR 27 G 28 H ? -2.6 GLY 23 G 24 H ? -0.2 +1771 GLY 25 G 26 H ? PRO 22 G 23 H ? -1.3 THR 26 G 27 H ? -0.3 TRP 24 G 25 H ? -0.2 LEU 29 G 30 H ? -0.2 +1772 THR 26 G 27 H ? THR 27 G 28 H ? -0.2 PRO 28 G 29 H ? -0.1 MET 30 G 31 H ? -2.6 GLY 25 G 26 H ? -0.3 +1773 THR 27 G 28 H ? TRP 24 G 25 H ? -2.6 PRO 28 G 29 H ? -0.2 ALA 31 G 32 H ? -2.5 THR 26 G 27 H ? -0.2 +1774 PRO 28 G 29 H ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 32 G 33 H ? -1.7 THR 27 G 28 H ? -0.2 +1775 LEU 29 G 30 H ? MET 30 G 31 H ? -0.2 ALA 31 G 32 H ? -0.2 PHE 33 G 34 H ? -1.9 VAL 32 G 33 H ? -0.2 +1776 MET 30 G 31 H ? THR 26 G 27 H ? -2.6 ALA 31 G 32 H ? -0.2 MET 34 G 35 H ? -2.1 LEU 29 G 30 H ? -0.2 +1777 ALA 31 G 32 H ? THR 27 G 28 H ? -2.5 VAL 32 G 33 H ? -0.2 GLY 35 G 36 H ? -2.3 MET 30 G 31 H ? -0.2 +1778 VAL 32 G 33 H ? PRO 28 G 29 H ? -1.7 LEU 29 G 30 H ? -0.2 LEU 36 G 37 H ? -2.9 PHE 37 G 38 H ? -0.2 +1779 PHE 33 G 34 H ? LEU 29 G 30 H ? -1.9 MET 34 G 35 H ? -0.2 PHE 37 G 38 H ? -2.2 VAL 32 G 33 H ? -0.2 +1780 MET 34 G 35 H ? MET 30 G 31 H ? -2.1 LEU 29 G 30 H ? -0.2 LEU 38 G 39 H ? -1.9 PHE 33 G 34 H ? -0.2 +1781 GLY 35 G 36 H ? ALA 31 G 32 H ? -2.3 PHE 37 G 38 H ? -0.2 VAL 39 G 40 H ? -2.0 LEU 38 G 39 H ? -0.2 +1782 LEU 36 G 37 H ? VAL 32 G 33 H ? -2.9 PHE 37 G 38 H ? -0.2 PHE 40 G 41 H ? -2.1 MET 34 G 35 H ? -0.2 +1783 PHE 37 G 38 H ? PHE 33 G 34 H ? -2.2 VAL 32 G 33 H ? -0.2 LEU 41 G 42 H ? -2.5 LEU 36 G 37 H ? -0.2 +1784 LEU 38 G 39 H ? MET 34 G 35 H ? -1.9 GLY 35 G 36 H ? -0.2 LEU 42 G 43 H ? -2.4 PHE 37 G 38 H ? -0.2 +1785 VAL 39 G 40 H ? GLY 35 G 36 H ? -2.0 LEU 41 G 42 H ? -0.2 ILE 43 G 44 H ? -2.4 PHE 37 G 38 H ? -0.2 +1786 PHE 40 G 41 H ? LEU 36 G 37 H ? -2.1 LEU 42 G 43 H ? -0.2 ILE 44 G 45 H ? -2.4 LEU 45 G 46 H ? -0.3 +1787 LEU 41 G 42 H ? PHE 37 G 38 H ? -2.5 LEU 42 G 43 H ? -0.2 LEU 45 G 46 H ? -1.8 PHE 40 G 41 H ? -0.2 +1788 LEU 42 G 43 H ? LEU 38 G 39 H ? -2.4 ILE 44 G 45 H ? -0.2 GLU 46 G 47 H ? -2.5 LEU 41 G 42 H ? -0.2 +1789 ILE 43 G 44 H ? VAL 39 G 40 H ? -2.4 LEU 45 G 46 H ? -0.2 ILE 47 G 48 H ? -1.9 LEU 41 G 42 H ? -0.2 +1790 ILE 44 G 45 H ? PHE 40 G 41 H ? -2.4 LEU 45 G 46 H ? -0.2 TYR 48 G 49 H ? -1.9 ILE 43 G 44 H ? -0.2 +1791 LEU 45 G 46 H ? LEU 41 G 42 H ? -1.8 PHE 40 G 41 H ? -0.3 ASN 49 G 50 H ? -2.1 ILE 44 G 45 H ? -0.2 +1792 GLU 46 G 47 H ? LEU 42 G 43 H ? -2.5 TYR 48 G 49 H ? -0.2 LEU 52 G 53 H ? -2.8 THR 51 G 52 H ? -2.0 +1793 ILE 47 G 48 H ? ILE 43 G 44 H ? -1.9 ASN 49 G 50 H ? -0.2 SER 50 G 51 H ? -1.2 GLU 46 G 47 H ? -0.2 +1794 TYR 48 G 49 H ? ILE 44 G 45 H ? -1.9 ASN 49 G 50 H ? -0.2 GLU 46 G 47 H ? -0.2 ILE 47 G 48 H ? -0.2 +1795 ASN 49 G 50 H ? LEU 45 G 46 H ? -2.1 ILE 44 G 45 H ? -0.1 TYR 48 G 49 H ? -0.2 ILE 47 G 48 H ? -0.2 +1796 SER 50 G 51 H ? ILE 47 G 48 H ? -1.2 GLU 46 G 47 H ? -0.4 ILE 47 G 48 H ? -0.2 ILE 53 G 54 H ? -0.1 +1797 THR 51 G 52 H ? GLU 46 G 47 H ? -2.0 LEU 52 G 53 H ? -0.3 ILE 53 G 54 H ? -0.5 ILE 47 G 48 H ? -0.2 +1798 LEU 52 G 53 H ? GLU 46 G 47 H ? -2.8 ILE 43 G 44 H ? -0.1 LEU 54 G 55 H ? -0.5 SER 50 G 51 H ? -0.3 +1799 ILE 53 G 54 H ? THR 51 G 52 H ? -0.5 SER 50 G 51 H ? -0.1 LEU 6 R 7 X ? -0.4 ASP 55 G 56 H ? -0.3 +1800 LEU 54 G 55 H ? LEU 52 G 53 H ? -0.5 VAL 57 G 58 H ? -0.4 VAL 57 G 58 H ? -1.8 GLY 56 G 57 H ? -0.1 +1801 ASP 55 G 56 H ? ILE 53 G 54 H ? -0.3 THR 1 R 2 X ? -0.3 THR 1 R 2 X ? -0.1 ASN 58 G 59 H ? -0.1 +1802 GLY 56 G 57 H ? VAL 57 G 58 H ? -0.1 LEU 54 G 55 H ? -0.1 ASN 58 G 59 H ? -0.7 ASP 55 G 56 H ? -0.3 +1803 VAL 57 G 58 H ? LEU 54 G 55 H ? -1.8 VAL 59 G 60 H ? -0.0 VAL 59 G 60 H ? -0.8 LEU 54 G 55 H ? -0.4 +1804 ASN 58 G 59 H ? GLY 56 G 57 H ? -0.7 SER 60 G 61 H ? -0.1 SER 60 G 61 H ? -1.7 ALA 63 G 64 H ? -0.1 +1805 VAL 59 G 60 H ? VAL 57 G 58 H ? -0.8 ILE 47 G 48 H ? -0.1 TRP 61 G 62 H ? -0.3 VAL 57 G 58 H ? -0.0 +1806 SER 60 G 61 H ? ASN 58 G 59 H ? -1.7 TRP 61 G 62 H ? -0.1 ALA 63 G 64 H ? -1.5 ASN 58 G 59 H ? -0.1 +1807 TRP 61 G 62 H ? VAL 59 G 60 H ? -0.3 LYS 62 G 63 H ? -0.3 LEU 64 G 65 H ? -3.1 TYR 171 B 172 B ? -0.1 +1808 LYS 62 G 63 H ? ALA 63 G 64 H ? -0.3 PRO 170 B 171 B ? -0.1 TRP 61 G 62 H ? -0.3 VAL 59 G 60 H ? -0.1 +1809 ALA 63 G 64 H ? SER 60 G 61 H ? -1.5 LEU 64 G 65 H ? -0.2 LYS 62 G 63 H ? -0.3 TRP 61 G 62 H ? -0.2 +1810 LEU 64 G 65 H ? TRP 61 G 62 H ? -3.1 ASN 193 B 194 B ? -0.1 ALA 63 G 64 H ? -0.2 ASN 193 B 194 B ? -0.1 +1811 FME 1 H 1 I ? GLU 2 H 2 I ? -0.3 ALA 89 A 99 A ? -0.1 LYS 5 H 5 I ? -2.8 ILE 6 H 6 I ? -0.1 +1812 GLU 2 H 2 I ? THR 3 H 3 I ? -0.2 LEU 4 H 4 I ? -0.2 ILE 6 H 6 I ? -2.6 FME 1 H 1 I ? -0.3 +1813 THR 3 H 3 I ? LEU 4 H 4 I ? -0.2 LYS 5 H 5 I ? -0.2 THR 7 H 7 I ? -2.7 GLU 2 H 2 I ? -0.2 +1814 LEU 4 H 4 I ? ILE 6 H 6 I ? -0.2 LYS 5 H 5 I ? -0.2 VAL 8 H 8 I ? -2.6 TYR 9 H 9 I ? -0.2 +1815 LYS 5 H 5 I ? FME 1 H 1 I ? -2.8 THR 7 H 7 I ? -0.2 TYR 9 H 9 I ? -2.7 THR 3 H 3 I ? -0.2 +1816 ILE 6 H 6 I ? GLU 2 H 2 I ? -2.6 THR 7 H 7 I ? -0.2 ILE 10 H 10 I ? -2.2 LYS 5 H 5 I ? -0.2 +1817 THR 7 H 7 I ? THR 3 H 3 I ? -2.7 TYR 9 H 9 I ? -0.2 VAL 11 H 11 I ? -2.9 ILE 6 H 6 I ? -0.2 +1818 VAL 8 H 8 I ? LEU 4 H 4 I ? -2.6 TYR 9 H 9 I ? -0.2 VAL 12 H 12 I ? -3.0 THR 13 H 13 I ? -0.2 +1819 TYR 9 H 9 I ? LYS 5 H 5 I ? -2.7 LEU 4 H 4 I ? -0.2 THR 13 H 13 I ? -2.3 VAL 8 H 8 I ? -0.2 +1820 ILE 10 H 10 I ? ILE 6 H 6 I ? -2.2 VAL 12 H 12 I ? -0.2 PHE 14 H 14 I ? -2.7 VAL 8 H 8 I ? -0.2 +1821 VAL 11 H 11 I ? THR 7 H 7 I ? -2.9 THR 13 H 13 I ? -0.2 PHE 15 H 15 I ? -2.2 VAL 16 H 16 I ? -0.2 +1822 VAL 12 H 12 I ? VAL 8 H 8 I ? -3.0 THR 13 H 13 I ? -0.2 VAL 16 H 16 I ? -2.5 LEU 17 H 17 I ? -0.2 +1823 THR 13 H 13 I ? TYR 9 H 9 I ? -2.3 VAL 8 H 8 I ? -0.2 LEU 17 H 17 I ? -2.5 VAL 12 H 12 I ? -0.2 +1824 PHE 14 H 14 I ? ILE 10 H 10 I ? -2.7 PHE 15 H 15 I ? -0.2 LEU 18 H 18 I ? -2.0 THR 13 H 13 I ? -0.2 +1825 PHE 15 H 15 I ? VAL 11 H 11 I ? -2.2 VAL 16 H 16 I ? -0.2 PHE 19 H 19 I ? -1.7 PHE 14 H 14 I ? -0.2 +1826 VAL 16 H 16 I ? VAL 12 H 12 I ? -2.5 LEU 18 H 18 I ? -0.2 VAL 20 H 20 I ? -2.6 PHE 15 H 15 I ? -0.2 +1827 LEU 17 H 17 I ? THR 13 H 13 I ? -2.5 VAL 12 H 12 I ? -0.2 PHE 21 H 21 I ? -2.7 GLY 22 H 22 I ? -0.3 +1828 LEU 18 H 18 I ? PHE 14 H 14 I ? -2.0 THR 13 H 13 I ? -0.2 GLY 22 H 22 I ? -1.8 LEU 17 H 17 I ? -0.2 +1829 PHE 19 H 19 I ? PHE 15 H 15 I ? -1.7 PHE 21 H 21 I ? -0.2 PHE 23 H 23 I ? -2.3 LEU 17 H 17 I ? -0.2 +1830 VAL 20 H 20 I ? VAL 16 H 16 I ? -2.6 PHE 21 H 21 I ? -0.2 LEU 24 H 24 I ? -1.3 LEU 18 H 18 I ? -0.2 +1831 PHE 21 H 21 I ? LEU 17 H 17 I ? -2.7 PHE 23 H 23 I ? -0.2 SER 25 H 25 I ? -0.4 VAL 20 H 20 I ? -0.2 +1832 GLY 22 H 22 I ? LEU 18 H 18 I ? -1.8 LEU 17 H 17 I ? -0.3 SER 25 H 25 I ? -1.0 VAL 20 H 20 I ? -0.2 +1833 PHE 23 H 23 I ? PHE 19 H 19 I ? -2.3 LEU 24 H 24 I ? -0.2 ASP 27 H 27 I ? -0.8 GLY 22 H 22 I ? -0.2 +1834 LEU 24 H 24 I ? VAL 20 H 20 I ? -1.3 PHE 19 H 19 I ? -0.2 GLY 26 H 26 I ? -1.0 PHE 23 H 23 I ? -0.2 +1835 SER 25 H 25 I ? GLY 22 H 22 I ? -1.0 PHE 21 H 21 I ? -0.4 LEU 24 H 24 I ? -0.2 ALA 241 C 263 C ? -0.1 +1836 GLY 26 H 26 I ? LEU 24 H 24 I ? -1.0 TRP 237 C 259 C ? -0.2 ALA 29 H 29 I ? -0.8 ARG 30 H 30 I ? -0.5 +1837 ASP 27 H 27 I ? PHE 23 H 23 I ? -0.8 PRO 28 H 28 I ? -0.2 ARG 30 H 30 I ? -1.7 ALA 241 C 263 C ? -0.1 +1838 PRO 28 H 28 I ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 27 H 27 I ? -0.2 ALA 241 C 263 C ? -0.1 +1839 ALA 29 H 29 I ? GLY 26 H 26 I ? -0.8 ARG 240 C 262 C ? -0.2 ASN 31 H 31 I ? -2.0 ASP 27 H 27 I ? -0.2 +1840 ARG 30 H 30 I ? ASP 27 H 27 I ? -1.7 GLY 26 H 26 I ? -0.5 ALA 29 H 29 I ? -0.2 LYS 35 H 35 I ? -0.1 +1841 ASN 31 H 31 I ? ALA 29 H 29 I ? -2.0 LYS 33 H 33 I ? -0.1 ARG 126 A 136 A ? -0.2 LEU 127 A 137 A ? -0.1 +1842 PRO 32 H 32 I ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 35 H 35 I ? -0.1 ARG 126 A 136 A ? -0.1 +1843 LYS 33 H 33 I ? ARG 34 H 34 I ? -0.3 LYS 35 H 35 I ? -0.0 LYS 35 H 35 I ? -0.5 GLY 432 C 454 C ? -0.1 +1844 ARG 34 H 34 I ? ALA 431 C 453 C ? -1.2 LYS 35 H 35 I ? -0.2 LYS 33 H 33 I ? -0.3 LEU 37 H 37 I ? -0.0 +1845 LYS 35 H 35 I ? LYS 33 H 33 I ? -0.5 ASP 36 H 36 I ? -0.1 LEU 37 H 37 I ? -1.7 ARG 34 H 34 I ? -0.2 +1846 ASP 36 H 36 I ? LEU 37 H 37 I ? -0.1 ALA 29 H 29 I ? -0.1 GLU 38 H 38 I ? -0.3 LYS 35 H 35 I ? -0.1 +1847 LEU 37 H 37 I ? LYS 35 H 35 I ? -1.7 ARG 240 C 262 C ? -0.1 ASP 36 H 36 I ? -0.1 ALA 29 H 29 I ? -0.1 +1848 GLU 38 H 38 I ? ASP 36 H 36 I ? -0.3 PRO 28 H 28 I ? -0.1 ARG 240 C 262 C ? -0.1 TRP 244 C 266 C ? -0.1 +1849 SER 1 I 2 J ? GLU 2 I 3 J ? -0.3 ILE 10 E 13 E ? -0.1 GLY 3 I 4 J ? -0.4 SER 13 E 16 E ? -0.1 +1850 GLU 2 I 3 J ? THR 12 E 15 E ? -0.1 GLY 3 I 4 J ? -0.1 ARG 5 I 6 J ? -0.9 VAL 14 E 17 E ? -0.5 +1851 GLY 3 I 4 J ? SER 1 I 2 J ? -0.4 GLY 4 I 5 J ? -0.2 SER 13 E 16 E ? -0.2 ILE 10 E 13 E ? -0.1 +1852 GLY 4 I 5 J ? THR 12 E 15 E ? -0.7 GLU 2 I 3 J ? -0.3 GLY 3 I 4 J ? -0.2 SER 13 E 16 E ? -0.2 +1853 ARG 5 I 6 J ? GLU 2 I 3 J ? -0.9 THR 12 E 15 E ? -0.2 SER 13 E 16 E ? -0.2 GLY 3 I 4 J ? -0.1 +1854 ILE 6 I 7 J ? THR 12 E 15 E ? -2.4 LEU 8 I 9 J ? -0.0 GLY 4 I 5 J ? -0.1 ARG 5 I 6 J ? -0.1 +1855 PRO 7 I 8 J ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 11 I 12 J ? -1.5 ILE 10 I 11 J ? -0.8 +1856 LEU 8 I 9 J ? TRP 9 I 10 J ? -0.2 ILE 10 I 11 J ? -0.2 ALA 12 I 13 J ? -2.6 THR 13 I 14 J ? -0.2 +1857 TRP 9 I 10 J ? ILE 10 I 11 J ? -0.2 VAL 11 I 12 J ? -0.2 THR 13 I 14 J ? -1.6 LEU 8 I 9 J ? -0.2 +1858 ILE 10 I 11 J ? PRO 7 I 8 J ? -0.8 ALA 12 I 13 J ? -0.2 VAL 14 I 15 J ? -2.6 ALA 15 I 16 J ? -0.2 +1859 VAL 11 I 12 J ? PRO 7 I 8 J ? -1.5 ALA 12 I 13 J ? -0.2 ALA 15 I 16 J ? -2.8 GLY 16 I 17 J ? -0.2 +1860 ALA 12 I 13 J ? LEU 8 I 9 J ? -2.6 THR 13 I 14 J ? -0.2 GLY 16 I 17 J ? -2.4 VAL 11 I 12 J ? -0.2 +1861 THR 13 I 14 J ? TRP 9 I 10 J ? -1.6 ALA 15 I 16 J ? -0.2 MET 17 I 18 J ? -2.2 VAL 11 I 12 J ? -0.2 +1862 VAL 14 I 15 J ? ILE 10 I 11 J ? -2.6 GLY 16 I 17 J ? -0.2 GLY 18 I 19 J ? -2.1 ALA 12 I 13 J ? -0.2 +1863 ALA 15 I 16 J ? VAL 11 I 12 J ? -2.8 ILE 10 I 11 J ? -0.2 VAL 19 I 20 J ? -2.1 THR 13 I 14 J ? -0.2 +1864 GLY 16 I 17 J ? ALA 12 I 13 J ? -2.4 VAL 11 I 12 J ? -0.2 ILE 20 I 21 J ? -1.9 VAL 14 I 15 J ? -0.2 +1865 MET 17 I 18 J ? THR 13 I 14 J ? -2.2 GLY 18 I 19 J ? -0.2 VAL 21 I 22 J ? -2.3 GLY 16 I 17 J ? -0.2 +1866 GLY 18 I 19 J ? VAL 14 I 15 J ? -2.1 VAL 19 I 20 J ? -0.2 ILE 22 I 23 J ? -1.8 MET 17 I 18 J ? -0.2 +1867 VAL 19 I 20 J ? ALA 15 I 16 J ? -2.1 ILE 20 I 21 J ? -0.2 VAL 23 I 24 J ? -2.4 GLY 24 I 25 J ? -0.2 +1868 ILE 20 I 21 J ? GLY 16 I 17 J ? -1.9 VAL 21 I 22 J ? -0.2 GLY 24 I 25 J ? -2.8 VAL 19 I 20 J ? -0.2 +1869 VAL 21 I 22 J ? MET 17 I 18 J ? -2.3 VAL 23 I 24 J ? -0.2 LEU 25 I 26 J ? -1.7 ILE 20 I 21 J ? -0.2 +1870 ILE 22 I 23 J ? GLY 18 I 19 J ? -1.8 GLY 24 I 25 J ? -0.2 PHE 26 I 27 J ? -1.4 ILE 20 I 21 J ? -0.2 +1871 VAL 23 I 24 J ? VAL 19 I 20 J ? -2.4 GLY 24 I 25 J ? -0.2 PHE 27 I 28 J ? -1.8 PHE 26 I 27 J ? -0.3 +1872 GLY 24 I 25 J ? ILE 20 I 21 J ? -2.8 LEU 25 I 26 J ? -0.2 TYR 28 I 29 J ? -2.4 VAL 23 I 24 J ? -0.2 +1873 LEU 25 I 26 J ? VAL 21 I 22 J ? -1.7 PHE 26 I 27 J ? -0.2 GLY 29 I 30 J ? -1.9 GLY 24 I 25 J ? -0.2 +1874 PHE 26 I 27 J ? ILE 22 I 23 J ? -1.4 VAL 23 I 24 J ? -0.3 ALA 30 I 31 J ? -0.5 LEU 25 I 26 J ? -0.2 +1875 PHE 27 I 28 J ? VAL 23 I 24 J ? -1.8 GLY 29 I 30 J ? -0.2 ALA 30 I 31 J ? -1.1 TYR 31 I 32 J ? -0.4 +1876 TYR 28 I 29 J ? GLY 24 I 25 J ? -2.4 GLY 29 I 30 J ? -0.2 TYR 31 I 32 J ? -1.9 PHE 26 I 27 J ? -0.2 +1877 GLY 29 I 30 J ? LEU 25 I 26 J ? -1.9 ALA 30 I 31 J ? -0.3 ALA 32 I 33 J ? -0.4 TYR 28 I 29 J ? -0.2 +1878 ALA 30 I 31 J ? PHE 27 I 28 J ? -1.1 PHE 26 I 27 J ? -0.5 GLY 29 I 30 J ? -0.3 TYR 28 I 29 J ? -0.2 +1879 TYR 31 I 32 J ? TYR 28 I 29 J ? -1.9 PHE 27 I 28 J ? -0.4 GLY 33 I 34 J ? -0.3 ALA 30 I 31 J ? -0.2 +1880 ALA 32 I 33 J ? GLY 29 I 30 J ? -0.4 LEU 34 I 35 J ? -0.3 ILE 32 F 43 F ? -0.1 TYR 31 I 32 J ? -0.1 +1881 GLY 33 I 34 J ? TYR 31 I 32 J ? -0.3 PHE 31 F 42 F ? -0.1 SER 36 I 37 J ? -1.4 LEU 38 I 39 J ? -0.3 +1882 LEU 34 I 35 J ? ILE 32 F 43 F ? -1.6 MET 29 F 40 F ? -0.3 ALA 32 I 33 J ? -0.3 GLY 60 D 70 D ? -0.2 +1883 GLY 35 I 36 J ? SER 295 A 305 A ? -0.3 GLU 59 D 69 D ? -0.3 LEU 34 I 35 J ? -0.2 VAL 296 A 306 A ? -0.2 +1884 SER 36 I 37 J ? GLY 33 I 34 J ? -1.4 LEU 38 I 39 J ? -0.2 VAL 296 A 306 A ? -0.2 LEU 34 I 35 J ? -0.1 +1885 SER 37 I 38 J ? SER 295 A 305 A ? -2.0 LEU 38 I 39 J ? -0.3 VAL 296 A 306 A ? -0.1 LEU 34 I 35 J ? -0.1 +1886 LEU 38 I 39 J ? GLY 33 I 34 J ? -0.3 SER 295 A 305 A ? -0.1 SER 37 I 38 J ? -0.3 SER 36 I 37 J ? -0.2 +1887 LYS 1 J 10 K ? HIS 52 C 74 C ? -0.2 ? ? ? ? ? ? ? ALA 51 C 73 C ? -0.2 HIS 52 C 74 C ? -0.1 +1888 LEU 2 J 11 K ? ALA 51 C 73 C ? -0.2 PRO 3 J 12 K ? -0.1 ALA 7 J 16 K ? -0.1 PHE 87 C 109 C ? -0.0 +1889 PRO 3 J 12 K ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 6 J 15 K ? -1.5 ALA 7 J 16 K ? -0.4 +1890 GLU 4 J 13 K ? ALA 5 J 14 K ? -0.3 TYR 6 J 15 K ? -0.2 ALA 7 J 16 K ? -1.3 ILE 8 J 17 K ? -0.2 +1891 ALA 5 J 14 K ? VAL 61 T 61 Z ? -0.3 TYR 6 J 15 K ? -0.3 ILE 8 J 17 K ? -0.3 GLU 4 J 13 K ? -0.3 +1892 TYR 6 J 15 K ? PRO 3 J 12 K ? -1.5 ALA 7 J 16 K ? -0.2 PHE 9 J 18 K ? -2.1 ALA 5 J 14 K ? -0.3 +1893 ALA 7 J 16 K ? GLU 4 J 13 K ? -1.3 PRO 3 J 12 K ? -0.4 ASP 10 J 19 K ? -1.2 TYR 6 J 15 K ? -0.2 +1894 ILE 8 J 17 K ? ALA 5 J 14 K ? -0.3 PHE 9 J 18 K ? -0.2 ALA 7 J 16 K ? -0.3 LEU 12 J 21 K ? -0.1 +1895 PHE 9 J 18 K ? TYR 6 J 15 K ? -2.1 ASP 10 J 19 K ? -0.2 VAL 13 J 22 K ? -2.3 LEU 12 J 21 K ? -0.9 +1896 ASP 10 J 19 K ? ALA 7 J 16 K ? -1.2 PRO 11 J 20 K ? -0.3 ASP 14 J 23 K ? -1.8 PHE 9 J 18 K ? -0.2 +1897 PRO 11 J 20 K ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 15 J 24 K ? -0.4 ASP 10 J 19 K ? -0.3 +1898 LEU 12 J 21 K ? PHE 9 J 18 K ? -0.9 ASP 14 J 23 K ? -0.2 LEU 16 J 25 K ? -1.3 VAL 15 J 24 K ? -1.2 +1899 VAL 13 J 22 K ? PHE 9 J 18 K ? -2.3 ASP 14 J 23 K ? -0.3 LEU 16 J 25 K ? -0.2 ASP 10 J 19 K ? -0.1 +1900 ASP 14 J 23 K ? ASP 10 J 19 K ? -1.8 VAL 15 J 24 K ? -0.2 VAL 13 J 22 K ? -0.3 LEU 12 J 21 K ? -0.2 +1901 VAL 15 J 24 K ? LEU 12 J 21 K ? -1.2 PRO 11 J 20 K ? -0.4 VAL 18 J 27 K ? -1.2 ILE 19 J 28 K ? -0.5 +1902 LEU 16 J 25 K ? LEU 12 J 21 K ? -1.3 PRO 17 J 26 K ? -0.2 ILE 19 J 28 K ? -1.6 ASP 14 J 23 K ? -0.1 +1903 PRO 17 J 26 K ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 16 J 25 K ? -0.2 VAL 21 J 30 K ? -0.2 +1904 VAL 18 J 27 K ? VAL 15 J 24 K ? -1.2 ILE 19 J 28 K ? -0.2 VAL 21 J 30 K ? -1.5 LEU 22 J 31 K ? -0.8 +1905 ILE 19 J 28 K ? LEU 16 J 25 K ? -1.6 VAL 15 J 24 K ? -0.5 PHE 23 J 32 K ? -0.9 LEU 22 J 31 K ? -0.7 +1906 PRO 20 J 29 K ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 24 J 33 K ? -0.9 PHE 23 J 32 K ? -0.7 +1907 VAL 21 J 30 K ? VAL 18 J 27 K ? -1.5 PRO 17 J 26 K ? -0.2 ALA 25 J 34 K ? -1.7 LEU 24 J 33 K ? -0.2 +1908 LEU 22 J 31 K ? VAL 18 J 27 K ? -0.8 ILE 19 J 28 K ? -0.7 LEU 26 J 35 K ? -2.4 VAL 21 J 30 K ? -0.2 +1909 PHE 23 J 32 K ? ILE 19 J 28 K ? -0.9 PRO 20 J 29 K ? -0.7 ALA 27 J 36 K ? -1.3 LEU 22 J 31 K ? -0.2 +1910 LEU 24 J 33 K ? PRO 20 J 29 K ? -0.9 VAL 21 J 30 K ? -0.2 PHE 28 J 37 K ? -0.8 ALA 27 J 36 K ? -0.3 +1911 ALA 25 J 34 K ? VAL 21 J 30 K ? -1.7 LEU 26 J 35 K ? -0.2 VAL 29 J 38 K ? -1.4 PHE 28 J 37 K ? -0.7 +1912 LEU 26 J 35 K ? LEU 22 J 31 K ? -2.4 ALA 27 J 36 K ? -0.2 TRP 30 J 39 K ? -2.9 ALA 25 J 34 K ? -0.2 +1913 ALA 27 J 36 K ? PHE 23 J 32 K ? -1.3 LEU 24 J 33 K ? -0.3 GLN 31 J 40 K ? -2.4 LEU 26 J 35 K ? -0.2 +1914 PHE 28 J 37 K ? LEU 24 J 33 K ? -0.8 ALA 25 J 34 K ? -0.7 ALA 32 J 41 K ? -2.0 ALA 27 J 36 K ? -0.2 +1915 VAL 29 J 38 K ? ALA 25 J 34 K ? -1.4 GLN 31 J 40 K ? -0.2 ALA 33 J 42 K ? -1.8 ALA 27 J 36 K ? -0.2 +1916 TRP 30 J 39 K ? LEU 26 J 35 K ? -2.9 GLN 31 J 40 K ? -0.2 VAL 34 J 43 K ? -1.1 PHE 28 J 37 K ? -0.2 +1917 GLN 31 J 40 K ? ALA 27 J 36 K ? -2.4 ALA 32 J 41 K ? -0.2 PHE 36 J 45 K ? -2.9 ARG 37 J 46 K ? -0.3 +1918 ALA 32 J 41 K ? PHE 28 J 37 K ? -2.0 ALA 33 J 42 K ? -0.2 GLY 35 J 44 K ? -1.1 GLN 31 J 40 K ? -0.2 +1919 ALA 33 J 42 K ? VAL 29 J 38 K ? -1.8 VAL 34 J 43 K ? -0.2 ALA 32 J 41 K ? -0.2 GLN 31 J 40 K ? -0.2 +1920 VAL 34 J 43 K ? TRP 30 J 39 K ? -1.1 GLN 31 J 40 K ? -0.2 ARG 37 J 46 K ? -0.8 ALA 33 J 42 K ? -0.2 +1921 GLY 35 J 44 K ? ALA 32 J 41 K ? -1.1 PHE 36 J 45 K ? -0.2 ALA 32 J 41 K ? -0.2 GLN 31 J 40 K ? -0.1 +1922 PHE 36 J 45 K ? GLN 31 J 40 K ? -2.9 TRP 30 J 39 K ? -0.2 TRP 13 C 35 C ? -0.4 GLY 35 J 44 K ? -0.2 +1923 ARG 37 J 46 K ? VAL 34 J 43 K ? -0.8 GLN 31 J 40 K ? -0.3 PHE 36 J 45 K ? -0.1 GLY 35 J 44 K ? -0.1 +1924 GLU 1 K 2 L ? PRO 2 K 3 L ? -0.2 ASP 118 B 119 B ? -0.0 ASN 3 K 4 L ? -0.3 ASP 118 B 119 B ? -0.1 +1925 PRO 2 K 3 L ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 1 K 2 L ? -0.2 ? ? ? ? ? ? ? +1926 ASN 3 K 4 L ? GLU 1 K 2 L ? -0.3 PRO 4 K 5 L ? -0.1 ARG 6 K 7 L ? -1.0 ASP 118 B 119 B ? -0.0 +1927 PRO 4 K 5 L ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASN 3 K 4 L ? -0.1 ? ? ? ? ? ? ? +1928 ASN 5 K 6 L ? VAL 10 B 11 B ? -0.1 GLN 7 K 8 L ? -0.0 ASN 13 B 14 B ? -0.1 ASP 14 B 15 B ? -0.0 +1929 ARG 6 K 7 L ? ASN 3 K 4 L ? -1.0 GLN 7 K 8 L ? -0.0 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +1930 GLN 7 K 8 L ? VAL 7 B 8 B ? -0.1 LEU 2 B 3 B ? -0.0 VAL 9 K 10 L ? -0.1 GLY 1 B 2 B ? -0.1 +1931 PRO 8 K 9 L ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 2 B 3 B ? -2.9 GLU 10 K 11 L ? -0.3 +1932 VAL 9 K 10 L ? GLY 1 B 2 B ? -0.2 GLN 7 K 8 L ? -0.1 LEU 11 K 12 L ? -0.3 TRP 4 B 5 B ? -0.0 +1933 GLU 10 K 11 L ? LEU 2 B 3 B ? -2.2 PRO 8 K 9 L ? -0.3 TRP 4 B 5 B ? -0.4 ASN 12 K 13 L ? -0.3 +1934 LEU 11 K 12 L ? LEU 25 L 25 M ? -0.4 VAL 9 K 10 L ? -0.3 THR 29 L 29 M ? -0.2 GLU 30 L 30 M ? -0.2 +1935 ASN 12 K 13 L ? GLU 10 K 11 L ? -0.3 ARG 13 K 14 L ? -0.1 LEU 16 K 17 L ? -1.8 TYR 17 K 18 L ? -0.1 +1936 ARG 13 K 14 L ? THR 14 K 15 L ? -0.2 SER 15 K 16 L ? -0.2 TYR 17 K 18 L ? -2.3 LEU 18 K 19 L ? -0.1 +1937 THR 14 K 15 L ? LEU 16 K 17 L ? -0.2 SER 15 K 16 L ? -0.2 LEU 18 K 19 L ? -2.6 ARG 13 K 14 L ? -0.2 +1938 SER 15 K 16 L ? TYR 17 K 18 L ? -0.2 LEU 16 K 17 L ? -0.2 GLY 19 K 20 L ? -2.6 ARG 13 K 14 L ? -0.2 +1939 LEU 16 K 17 L ? ASN 12 K 13 L ? -1.8 LEU 18 K 19 L ? -0.2 LEU 20 K 21 L ? -3.2 LEU 21 K 22 L ? -0.2 +1940 TYR 17 K 18 L ? ARG 13 K 14 L ? -2.3 GLY 19 K 20 L ? -0.2 LEU 21 K 22 L ? -2.3 SER 15 K 16 L ? -0.2 +1941 LEU 18 K 19 L ? THR 14 K 15 L ? -2.6 LEU 20 K 21 L ? -0.2 LEU 22 K 23 L ? -2.1 TYR 17 K 18 L ? -0.2 +1942 GLY 19 K 20 L ? SER 15 K 16 L ? -2.6 LEU 21 K 22 L ? -0.2 ILE 23 K 24 L ? -2.5 TYR 17 K 18 L ? -0.2 +1943 LEU 20 K 21 L ? LEU 16 K 17 L ? -3.2 LEU 21 K 22 L ? -0.2 LEU 24 K 25 L ? -2.8 VAL 25 K 26 L ? -0.2 +1944 LEU 21 K 22 L ? TYR 17 K 18 L ? -2.3 LEU 16 K 17 L ? -0.2 VAL 25 K 26 L ? -2.8 LEU 26 K 27 L ? -0.2 +1945 LEU 22 K 23 L ? LEU 18 K 19 L ? -2.1 LEU 24 K 25 L ? -0.2 LEU 26 K 27 L ? -2.9 ALA 27 K 28 L ? -0.2 +1946 ILE 23 K 24 L ? GLY 19 K 20 L ? -2.5 VAL 25 K 26 L ? -0.2 ALA 27 K 28 L ? -2.7 LEU 28 K 29 L ? -0.2 +1947 LEU 24 K 25 L ? LEU 20 K 21 L ? -2.8 VAL 25 K 26 L ? -0.2 LEU 28 K 29 L ? -1.9 ILE 23 K 24 L ? -0.2 +1948 VAL 25 K 26 L ? LEU 21 K 22 L ? -2.8 LEU 20 K 21 L ? -0.2 LEU 29 K 30 L ? -2.4 LEU 24 K 25 L ? -0.2 +1949 LEU 26 K 27 L ? LEU 22 K 23 L ? -2.9 LEU 21 K 22 L ? -0.2 PHE 30 K 31 L ? -2.7 SER 31 K 32 L ? -0.2 +1950 ALA 27 K 28 L ? ILE 23 K 24 L ? -2.7 LEU 29 K 30 L ? -0.2 SER 31 K 32 L ? -1.9 LEU 26 K 27 L ? -0.2 +1951 LEU 28 K 29 L ? LEU 24 K 25 L ? -1.9 ILE 23 K 24 L ? -0.2 SER 32 K 33 L ? -0.5 ALA 27 K 28 L ? -0.2 +1952 LEU 29 K 30 L ? VAL 25 K 26 L ? -2.4 PHE 30 K 31 L ? -0.2 TYR 33 K 34 L ? -0.3 SER 32 K 33 L ? -0.3 +1953 PHE 30 K 31 L ? LEU 26 K 27 L ? -2.7 SER 31 K 32 L ? -0.2 PHE 34 K 35 L ? -1.9 TYR 33 K 34 L ? -0.8 +1954 SER 31 K 32 L ? ALA 27 K 28 L ? -1.9 SER 32 K 33 L ? -0.3 PHE 35 K 36 L ? -2.1 ASN 36 K 37 L ? -0.3 +1955 SER 32 K 33 L ? LEU 28 K 29 L ? -0.5 LEU 29 K 30 L ? -0.3 ASN 36 K 37 L ? -1.6 SER 31 K 32 L ? -0.3 +1956 TYR 33 K 34 L ? PHE 30 K 31 L ? -0.8 LEU 29 K 30 L ? -0.3 SER 32 K 33 L ? -0.2 SER 31 K 32 L ? -0.2 +1957 PHE 34 K 35 L ? PHE 30 K 31 L ? -1.9 PHE 35 K 36 L ? -0.2 SER 32 K 33 L ? -0.2 GLY 7 L 7 M ? -0.2 +1958 PHE 35 K 36 L ? SER 31 K 32 L ? -2.1 GLY 7 L 7 M ? -0.2 ASN 4 L 4 M ? -2.7 PHE 34 K 35 L ? -0.2 +1959 ASN 36 K 37 L ? SER 32 K 33 L ? -1.6 SER 31 K 32 L ? -0.3 SER 290 D 300 D ? -2.7 TYR 33 K 34 L ? -0.2 +1960 FME 1 L 1 M ? GLU 2 L 2 M ? -0.1 ILE 293 D 303 D ? -0.0 VAL 3 L 3 M ? -1.9 SER 290 D 300 D ? -0.1 +1961 GLU 2 L 2 M ? SER 290 D 300 D ? -0.4 ILE 289 D 299 D ? -0.1 ILE 293 D 303 D ? -0.1 ASN 4 L 4 M ? -0.1 +1962 VAL 3 L 3 M ? FME 1 L 1 M ? -1.9 ASN 4 L 4 M ? -0.1 GLN 5 L 5 M ? -0.5 ASN 36 K 37 L ? -0.2 +1963 ASN 4 L 4 M ? PHE 35 K 36 L ? -2.7 GLN 5 L 5 M ? -0.1 GLY 7 L 7 M ? -1.1 LEU 8 L 8 M ? -0.2 +1964 GLN 5 L 5 M ? VAL 3 L 3 M ? -0.5 LEU 6 L 6 M ? -0.3 LEU 8 L 8 M ? -1.0 ILE 9 L 9 M ? -0.6 +1965 LEU 6 L 6 M ? GLY 7 L 7 M ? -0.2 LEU 8 L 8 M ? -0.2 ALA 10 L 10 M ? -2.7 GLN 5 L 5 M ? -0.3 +1966 GLY 7 L 7 M ? ASN 4 L 4 M ? -1.1 PHE 34 K 35 L ? -0.2 THR 11 L 11 M ? -2.3 LEU 6 L 6 M ? -0.2 +1967 LEU 8 L 8 M ? GLN 5 L 5 M ? -1.0 ASN 4 L 4 M ? -0.2 ALA 12 L 12 M ? -2.5 GLY 7 L 7 M ? -0.2 +1968 ILE 9 L 9 M ? GLN 5 L 5 M ? -0.6 THR 11 L 11 M ? -0.2 LEU 13 L 13 M ? -2.7 PHE 14 L 14 M ? -0.3 +1969 ALA 10 L 10 M ? LEU 6 L 6 M ? -2.7 THR 11 L 11 M ? -0.2 PHE 14 L 14 M ? -2.2 ILE 9 L 9 M ? -0.2 +1970 THR 11 L 11 M ? GLY 7 L 7 M ? -2.3 LEU 6 L 6 M ? -0.2 VAL 15 L 15 M ? -2.2 ILE 9 L 9 M ? -0.2 +1971 ALA 12 L 12 M ? LEU 8 L 8 M ? -2.5 LEU 13 L 13 M ? -0.2 LEU 16 L 16 M ? -3.2 ALA 10 L 10 M ? -0.2 +1972 LEU 13 L 13 M ? ILE 9 L 9 M ? -2.7 VAL 15 L 15 M ? -0.2 VAL 17 L 17 M ? -2.6 ALA 12 L 12 M ? -0.2 +1973 PHE 14 L 14 M ? ALA 10 L 10 M ? -2.2 ILE 9 L 9 M ? -0.3 ALA 12 L 12 M ? -0.2 LEU 13 L 13 M ? -0.2 +1974 VAL 15 L 15 M ? THR 11 L 11 M ? -2.2 ALA 10 L 10 M ? -0.1 SER 19 L 19 M ? -1.9 LEU 13 L 13 M ? -0.2 +1975 LEU 16 L 16 M ? ALA 12 L 12 M ? -3.2 THR 11 L 11 M ? -0.2 VAL 20 L 20 M ? -2.6 PHE 21 L 21 M ? -0.2 +1976 VAL 17 L 17 M ? LEU 13 L 13 M ? -2.6 PRO 18 L 18 M ? -0.2 PHE 21 L 21 M ? -1.8 LEU 16 L 16 M ? -0.2 +1977 PRO 18 L 18 M ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 22 L 22 M ? -2.1 VAL 17 L 17 M ? -0.2 +1978 SER 19 L 19 M ? VAL 15 L 15 M ? -1.9 VAL 20 L 20 M ? -0.2 ILE 23 L 23 M ? -2.1 VAL 17 L 17 M ? -0.2 +1979 VAL 20 L 20 M ? LEU 16 L 16 M ? -2.6 PHE 21 L 21 M ? -0.2 ILE 24 L 24 M ? -2.7 SER 19 L 19 M ? -0.2 +1980 PHE 21 L 21 M ? VAL 17 L 17 M ? -1.8 LEU 16 L 16 M ? -0.2 LEU 25 L 25 M ? -2.1 VAL 20 L 20 M ? -0.2 +1981 LEU 22 L 22 M ? PRO 18 L 18 M ? -2.1 ILE 23 L 23 M ? -0.2 TYR 26 L 26 M ? -2.6 VAL 20 L 20 M ? -0.2 +1982 ILE 23 L 23 M ? SER 19 L 19 M ? -2.1 LEU 25 L 25 M ? -0.2 VAL 27 L 27 M ? -2.8 GLN 28 L 28 M ? -0.3 +1983 ILE 24 L 24 M ? VAL 20 L 20 M ? -2.7 LEU 25 L 25 M ? -0.2 GLN 28 L 28 M ? -2.2 THR 29 L 29 M ? -0.2 +1984 LEU 25 L 25 M ? PHE 21 L 21 M ? -2.1 TYR 26 L 26 M ? -0.2 THR 29 L 29 M ? -1.1 LEU 11 K 12 L ? -0.4 +1985 TYR 26 L 26 M ? LEU 22 L 22 M ? -2.6 GLN 28 L 28 M ? -0.2 GLU 30 L 30 M ? -2.1 THR 29 L 29 M ? -0.6 +1986 VAL 27 L 27 M ? ILE 23 L 23 M ? -2.8 GLN 28 L 28 M ? -0.3 SER 31 L 31 M ? -1.8 LEU 25 L 25 M ? -0.2 +1987 GLN 28 L 28 M ? ILE 24 L 24 M ? -2.2 ILE 23 L 23 M ? -0.3 GLN 32 L 32 M ? -0.3 VAL 27 L 27 M ? -0.3 +1988 THR 29 L 29 M ? LEU 25 L 25 M ? -1.1 TYR 26 L 26 M ? -0.6 GLN 32 L 32 M ? -1.2 VAL 27 L 27 M ? -0.2 +1989 GLU 30 L 30 M ? TYR 26 L 26 M ? -2.1 SER 31 L 31 M ? -0.2 GLN 28 L 28 M ? -0.2 VAL 27 L 27 M ? -0.1 +1990 SER 31 L 31 M ? VAL 27 L 27 M ? -1.8 TYR 26 L 26 M ? -0.2 GLN 33 AF 33 m ? -0.4 GLU 30 L 30 M ? -0.2 +1991 GLN 32 L 32 M ? THR 29 L 29 M ? -1.2 GLN 28 L 28 M ? -0.3 GLN 32 AF 32 m ? -0.1 SER 31 AF 31 m ? -0.1 +1992 GLN 33 L 33 M ? SER 31 AF 31 m ? -0.3 SER 31 L 31 M ? -0.1 GLN 32 L 32 M ? -0.1 GLN 32 AF 32 m ? -0.1 +1993 THR 1 M 4 O ? LEU 2 M 5 O ? -0.1 THR 3 M 6 O ? -0.0 THR 3 M 6 O ? -0.1 ? ? ? ? ? ? ? +1994 LEU 2 M 5 O ? THR 3 M 6 O ? -0.0 TYR 4 M 7 O ? -0.0 TYR 4 M 7 O ? -0.2 THR 1 M 4 O ? -0.1 +1995 THR 3 M 6 O ? THR 1 M 4 O ? -0.1 PRO 350 C 372 C ? -0.1 ILE 7 M 10 O ? -1.6 ASP 6 M 9 O ? -0.9 +1996 TYR 4 M 7 O ? ASP 5 M 8 O ? -0.3 LEU 2 M 5 O ? -0.2 VAL 8 M 11 O ? -3.0 ALA 13 M 16 O ? -0.1 +1997 ASP 5 M 8 O ? ASP 6 M 9 O ? -0.2 ILE 7 M 10 O ? -0.2 TYR 4 M 7 O ? -0.3 LEU 2 M 5 O ? -0.0 +1998 ASP 6 M 9 O ? THR 3 M 6 O ? -0.9 ILE 7 M 10 O ? -0.1 ASP 5 M 8 O ? -0.2 TYR 4 M 7 O ? -0.2 +1999 ILE 7 M 10 O ? THR 3 M 6 O ? -1.6 PRO 350 C 372 C ? -0.1 THR 10 M 13 O ? -2.3 GLY 11 M 14 O ? -0.5 +2000 VAL 8 M 11 O ? TYR 4 M 7 O ? -3.0 GLY 9 M 12 O ? -0.3 GLY 325 C 347 C ? -0.0 ASN 351 C 373 C ? -0.0 +2001 GLY 9 M 12 O ? THR 10 M 13 O ? -0.1 THR 324 C 346 C ? -0.0 VAL 8 M 11 O ? -0.3 ILE 7 M 10 O ? -0.1 +2002 THR 10 M 13 O ? ILE 7 M 10 O ? -2.3 THR 324 C 346 C ? -0.1 VAL 8 M 11 O ? -0.1 GLY 325 C 347 C ? -0.1 +2003 GLY 11 M 14 O ? ILE 7 M 10 O ? -0.5 THR 324 C 346 C ? -0.4 ASN 14 M 17 O ? -1.2 VAL 8 M 11 O ? -0.1 +2004 LEU 12 M 15 O ? ILE 7 M 10 O ? -0.4 ALA 13 M 16 O ? -0.2 LYS 15 M 18 O ? -2.1 GLY 325 C 347 C ? -0.1 +2005 ALA 13 M 16 O ? THR 324 C 346 C ? -0.4 ILE 7 M 10 O ? -0.3 LEU 12 M 15 O ? -0.2 GLY 325 C 347 C ? -0.2 +2006 ASN 14 M 17 O ? GLY 11 M 14 O ? -1.2 THR 324 C 346 C ? -0.5 CYS 16 M 19 O ? -0.4 ALA 13 M 16 O ? -0.3 +2007 LYS 15 M 18 O ? LEU 12 M 15 O ? -2.1 SER 74 M 77 O ? -0.1 THR 18 M 21 O ? -0.1 LEU 42 M 45 O ? -0.0 +2008 CYS 16 M 19 O ? ASN 14 M 17 O ? -0.4 PRO 17 M 20 O ? -0.1 ASN 14 M 17 O ? -0.1 ASP 76 M 79 O ? -0.0 +2009 PRO 17 M 20 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 19 M 22 O ? -0.3 CYS 16 M 19 O ? -0.1 +2010 THR 18 M 21 O ? ALA 209 M 212 O ? -0.1 LYS 15 M 18 O ? -0.1 ASP 20 M 23 O ? -0.3 TYR 237 M 240 O ? -0.1 +2011 LEU 19 M 22 O ? PRO 17 M 20 O ? -0.3 ASP 20 M 23 O ? -0.1 ILE 208 M 211 O ? -0.0 ASP 202 M 205 O ? -0.0 +2012 ASP 20 M 23 O ? THR 18 M 21 O ? -0.3 ASP 21 M 24 O ? -0.1 ALA 23 M 26 O ? -0.9 LEU 19 M 22 O ? -0.1 +2013 ASP 21 M 24 O ? THR 22 M 25 O ? -0.2 LYS 200 M 203 O ? -0.1 ASP 20 M 23 O ? -0.1 LEU 19 M 22 O ? -0.0 +2014 THR 22 M 25 O ? ALA 23 M 26 O ? -0.1 ARG 24 M 27 O ? -0.0 ARG 24 M 27 O ? -1.5 ASP 21 M 24 O ? -0.2 +2015 ALA 23 M 26 O ? ASP 20 M 23 O ? -0.9 ARG 24 M 27 O ? -0.2 VAL 201 M 204 O ? -1.0 ASP 202 M 205 O ? -0.1 +2016 ARG 24 M 27 O ? THR 22 M 25 O ? -1.5 LYS 200 M 203 O ? -0.2 THR 135 M 138 O ? -0.3 ALA 23 M 26 O ? -0.2 +2017 GLY 25 M 28 O ? VAL 201 M 204 O ? -1.6 THR 134 M 137 O ? -0.1 TYR 27 M 30 O ? -0.4 THR 135 M 138 O ? -0.3 +2018 ALA 26 M 29 O ? THR 134 M 137 O ? -0.1 THR 135 M 138 O ? -0.1 THR 134 M 137 O ? -0.2 GLY 25 M 28 O ? -0.1 +2019 TYR 27 M 30 O ? ILE 133 M 136 O ? -2.4 GLY 25 M 28 O ? -0.4 ILE 133 M 136 O ? -2.4 ILE 29 M 32 O ? -0.1 +2020 PRO 28 M 31 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 30 M 33 O ? -0.6 SER 132 M 135 O ? -0.3 +2021 ILE 29 M 32 O ? THR 131 M 134 O ? -3.1 TYR 27 M 30 O ? -0.1 SER 31 M 34 O ? -0.7 TYR 27 M 30 O ? -0.0 +2022 ASP 30 M 33 O ? PRO 28 M 31 O ? -0.6 SER 31 M 34 O ? -0.1 GLN 33 M 36 O ? -2.6 VAL 84 M 87 O ? -0.1 +2023 SER 31 M 34 O ? ILE 29 M 32 O ? -0.7 SER 32 M 35 O ? -0.3 VAL 84 M 87 O ? -0.1 ASP 30 M 33 O ? -0.1 +2024 SER 32 M 35 O ? THR 34 M 37 O ? -0.0 ILE 29 M 32 O ? -0.0 SER 31 M 34 O ? -0.3 THR 34 M 37 O ? -0.3 +2025 GLN 33 M 36 O ? ASP 30 M 33 O ? -2.6 ALA 243 M 246 O ? -0.0 TYR 35 M 38 O ? -0.5 VAL 84 M 87 O ? -0.2 +2026 THR 34 M 37 O ? SER 32 M 35 O ? -0.3 LYS 83 M 86 O ? -0.1 ALA 243 M 246 O ? -3.2 ARG 36 M 39 O ? -0.3 +2027 TYR 35 M 38 O ? LEU 82 M 85 O ? -1.1 GLN 33 M 36 O ? -0.5 LEU 82 M 85 O ? -2.8 ILE 37 M 40 O ? -0.4 +2028 ARG 36 M 39 O ? GLU 241 M 244 O ? -2.8 THR 34 M 37 O ? -0.3 GLU 241 M 244 O ? -2.5 ALA 38 M 41 O ? -0.9 +2029 ILE 37 M 40 O ? GLY 80 M 83 O ? -2.6 TYR 35 M 38 O ? -0.4 GLY 80 M 83 O ? -1.6 ILE 240 M 243 O ? -0.2 +2030 ALA 38 M 41 O ? SER 239 M 242 O ? -2.1 ARG 36 M 39 O ? -0.9 LEU 40 M 43 O ? -0.3 ILE 37 M 40 O ? -0.2 +2031 ARG 39 M 42 O ? SER 239 M 242 O ? -1.0 ARG 36 M 39 O ? -0.1 SER 239 M 242 O ? -1.9 CYS 41 M 44 O ? -0.4 +2032 LEU 40 M 43 O ? ILE 78 M 81 O ? -1.8 ALA 38 M 41 O ? -0.3 ILE 78 M 81 O ? -1.6 LEU 42 M 45 O ? -0.4 +2033 CYS 41 M 44 O ? TYR 237 M 240 O ? -3.1 ARG 39 M 42 O ? -0.4 TYR 237 M 240 O ? -2.1 GLN 43 M 46 O ? -0.5 +2034 LEU 42 M 45 O ? LEU 75 M 78 O ? -2.6 LEU 40 M 43 O ? -0.4 LEU 75 M 78 O ? -2.4 PHE 236 M 239 O ? -0.2 +2035 GLN 43 M 46 O ? VAL 235 M 238 O ? -3.1 CYS 41 M 44 O ? -0.5 VAL 235 M 238 O ? -2.1 SER 74 M 77 O ? -0.1 +2036 PRO 44 M 47 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 234 M 237 O ? -0.3 PHE 47 M 50 O ? -0.1 +2037 THR 45 M 48 O ? GLN 233 M 236 O ? -3.2 THR 46 M 49 O ? -0.4 PHE 47 M 50 O ? -0.3 GLY 234 M 237 O ? -0.2 +2038 THR 46 M 49 O ? GLN 233 M 236 O ? -2.0 LYS 66 M 69 O ? -0.0 GLN 233 M 236 O ? -2.1 LEU 48 M 51 O ? -0.5 +2039 PHE 47 M 50 O ? THR 65 M 68 O ? -0.3 THR 45 M 48 O ? -0.3 THR 65 M 68 O ? -1.0 VAL 49 M 52 O ? -0.4 +2040 LEU 48 M 51 O ? LYS 231 M 234 O ? -2.9 THR 46 M 49 O ? -0.5 LYS 231 M 234 O ? -3.0 LYS 50 M 53 O ? -0.4 +2041 VAL 49 M 52 O ? VAL 63 M 66 O ? -2.0 PHE 47 M 50 O ? -0.4 VAL 63 M 66 O ? -3.1 GLU 51 M 54 O ? -0.3 +2042 LYS 50 M 53 O ? GLU 229 M 232 O ? -2.1 LEU 48 M 51 O ? -0.4 GLU 229 M 232 O ? -0.3 GLU 52 M 55 O ? -0.3 +2043 GLU 51 M 54 O ? GLU 61 M 64 O ? -2.8 VAL 49 M 52 O ? -0.3 GLU 61 M 64 O ? -0.2 LYS 50 M 53 O ? -0.0 +2044 GLU 52 M 55 O ? LYS 50 M 53 O ? -0.3 ALA 60 M 63 O ? -0.1 GLU 59 M 62 O ? -0.1 ALA 60 M 63 O ? -0.0 +2045 PRO 53 M 56 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 60 M 63 O ? -0.1 GLU 59 M 62 O ? -0.0 +2046 LYS 54 M 57 O ? ASN 55 M 58 O ? -0.2 GLN 337 V 338 b ? -0.1 ALA 338 V 339 b ? -0.1 GLN 337 V 338 b ? -0.0 +2047 ASN 55 M 58 O ? LYS 56 M 59 O ? -0.1 GLN 337 V 338 b ? -0.1 LYS 54 M 57 O ? -0.2 ARG 57 M 60 O ? -0.1 +2048 LYS 56 M 59 O ? ARG 57 M 60 O ? -0.1 GLN 58 M 61 O ? -0.0 ALA 60 M 63 O ? -0.2 ASN 55 M 58 O ? -0.1 +2049 ARG 57 M 60 O ? ASN 55 M 58 O ? -0.1 GLU 59 M 62 O ? -0.1 GLU 59 M 62 O ? -0.2 LYS 56 M 59 O ? -0.1 +2050 GLN 58 M 61 O ? GLU 59 M 62 O ? -0.1 ? ? ? ? ? ? ? ALA 60 M 63 O ? -0.2 LYS 56 M 59 O ? -0.0 +2051 GLU 59 M 62 O ? ARG 57 M 60 O ? -0.2 GLU 52 M 55 O ? -0.1 GLU 61 M 64 O ? -0.3 ARG 57 M 60 O ? -0.1 +2052 ALA 60 M 63 O ? GLN 58 M 61 O ? -0.2 LYS 56 M 59 O ? -0.2 PHE 62 M 65 O ? -0.3 GLU 52 M 55 O ? -0.1 +2053 GLU 61 M 64 O ? GLU 59 M 62 O ? -0.3 GLU 51 M 54 O ? -0.2 GLU 51 M 54 O ? -2.8 VAL 63 M 66 O ? -0.5 +2054 PHE 62 M 65 O ? ALA 60 M 63 O ? -0.3 LYS 50 M 53 O ? -0.3 LYS 50 M 53 O ? -0.3 VAL 230 M 233 O ? -0.1 +2055 VAL 63 M 66 O ? VAL 49 M 52 O ? -3.1 GLU 61 M 64 O ? -0.5 VAL 49 M 52 O ? -2.0 THR 65 M 68 O ? -0.1 +2056 PRO 64 M 67 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 108 M 111 O ? -0.4 LYS 66 M 69 O ? -0.3 +2057 THR 65 M 68 O ? PHE 47 M 50 O ? -1.0 MET 107 M 110 O ? -0.1 LEU 67 M 70 O ? -0.4 PHE 47 M 50 O ? -0.3 +2058 LYS 66 M 69 O ? GLN 106 M 109 O ? -2.8 PRO 64 M 67 O ? -0.3 GLN 106 M 109 O ? -2.9 VAL 68 M 71 O ? -0.5 +2059 LEU 67 M 70 O ? THR 65 M 68 O ? -0.4 VAL 105 M 108 O ? -0.2 VAL 105 M 108 O ? -0.2 ARG 70 M 73 O ? -0.2 +2060 VAL 68 M 71 O ? THR 104 M 107 O ? -2.2 LYS 66 M 69 O ? -0.5 VAL 105 M 108 O ? -0.1 LEU 67 M 70 O ? -0.1 +2061 THR 69 M 72 O ? THR 104 M 107 O ? -0.7 ARG 70 M 73 O ? -0.2 VAL 68 M 71 O ? -0.1 THR 72 M 75 O ? -0.1 +2062 ARG 70 M 73 O ? LEU 67 M 70 O ? -0.2 GLU 71 M 74 O ? -0.2 THR 72 M 75 O ? -2.5 THR 69 M 72 O ? -0.2 +2063 GLU 71 M 74 O ? PRO 323 C 345 C ? -1.6 THR 72 M 75 O ? -0.2 ARG 70 M 73 O ? -0.2 SER 322 C 344 C ? -0.1 +2064 THR 72 M 75 O ? ARG 70 M 73 O ? -2.5 THR 324 C 346 C ? -0.1 GLU 71 M 74 O ? -0.2 ARG 321 C 343 C ? -0.2 +2065 THR 73 M 76 O ? ARG 70 M 73 O ? -0.2 PRO 44 M 47 O ? -0.1 LEU 75 M 78 O ? -0.1 GLN 101 M 104 O ? -0.1 +2066 SER 74 M 77 O ? GLN 43 M 46 O ? -0.1 ASN 14 M 17 O ? -0.1 ASP 76 M 79 O ? -0.3 GLN 43 M 46 O ? -0.2 +2067 LEU 75 M 78 O ? LEU 42 M 45 O ? -2.4 THR 73 M 76 O ? -0.1 LEU 42 M 45 O ? -2.6 GLN 77 M 80 O ? -0.3 +2068 ASP 76 M 79 O ? ILE 98 M 101 O ? -1.6 SER 74 M 77 O ? -0.3 ILE 98 M 101 O ? -2.1 CYS 41 M 44 O ? -0.2 +2069 GLN 77 M 80 O ? LEU 75 M 78 O ? -0.3 ILE 78 M 81 O ? -0.3 GLN 79 M 82 O ? -0.3 CYS 41 M 44 O ? -0.1 +2070 ILE 78 M 81 O ? LEU 40 M 43 O ? -1.6 GLY 97 M 100 O ? -0.2 LEU 40 M 43 O ? -1.8 GLY 80 M 83 O ? -0.3 +2071 GLN 79 M 82 O ? ASP 96 M 99 O ? -2.6 GLN 77 M 80 O ? -0.3 GLU 95 M 98 O ? -2.4 ASP 96 M 99 O ? -1.7 +2072 GLY 80 M 83 O ? ILE 37 M 40 O ? -1.6 ILE 78 M 81 O ? -0.3 ILE 37 M 40 O ? -2.6 GLU 94 M 97 O ? -0.2 +2073 GLU 81 M 84 O ? VAL 93 M 96 O ? -0.9 GLN 79 M 82 O ? -0.3 VAL 93 M 96 O ? -2.5 LYS 83 M 86 O ? -0.6 +2074 LEU 82 M 85 O ? TYR 35 M 38 O ? -2.8 PHE 92 M 95 O ? -0.2 TYR 35 M 38 O ? -1.1 PHE 92 M 95 O ? -0.2 +2075 LYS 83 M 86 O ? THR 91 M 94 O ? -2.8 GLU 81 M 84 O ? -0.6 THR 91 M 94 O ? -2.3 ASN 85 M 88 O ? -0.5 +2076 VAL 84 M 87 O ? LEU 82 M 85 O ? -0.2 LEU 90 M 93 O ? -0.2 LEU 90 M 93 O ? -0.2 SER 86 M 89 O ? -0.1 +2077 ASN 85 M 88 O ? SER 89 M 92 O ? -2.8 LYS 83 M 86 O ? -0.5 GLY 88 M 91 O ? -1.6 SER 31 M 34 O ? -0.0 +2078 SER 86 M 89 O ? ASP 87 M 90 O ? -0.3 GLY 88 M 91 O ? -0.1 ASN 85 M 88 O ? -0.1 VAL 84 M 87 O ? -0.0 +2079 ASP 87 M 90 O ? GLY 88 M 91 O ? -0.1 SER 89 M 92 O ? -0.0 ASN 129 M 132 O ? -2.8 SER 86 M 89 O ? -0.3 +2080 GLY 88 M 91 O ? ASN 85 M 88 O ? -1.6 SER 89 M 92 O ? -0.3 VAL 130 M 133 O ? -1.9 SER 86 M 89 O ? -0.1 +2081 SER 89 M 92 O ? ASN 129 M 132 O ? -0.2 THR 126 M 129 O ? -0.1 ASN 85 M 88 O ? -2.8 THR 91 M 94 O ? -0.3 +2082 LEU 90 M 93 O ? GLN 127 M 130 O ? -0.4 VAL 84 M 87 O ? -0.2 THR 126 M 129 O ? -2.1 PHE 92 M 95 O ? -0.4 +2083 THR 91 M 94 O ? LYS 83 M 86 O ? -2.3 SER 89 M 92 O ? -0.3 LYS 83 M 86 O ? -2.8 VAL 93 M 96 O ? -0.5 +2084 PHE 92 M 95 O ? ALA 124 M 127 O ? -3.5 LEU 90 M 93 O ? -0.4 ALA 124 M 127 O ? -2.3 GLU 94 M 97 O ? -0.6 +2085 VAL 93 M 96 O ? GLU 81 M 84 O ? -2.5 THR 91 M 94 O ? -0.5 GLU 81 M 84 O ? -0.9 VAL 123 M 126 O ? -0.2 +2086 GLU 94 M 97 O ? LEU 122 M 125 O ? -2.6 PHE 92 M 95 O ? -0.6 GLY 80 M 83 O ? -0.2 GLY 97 M 100 O ? -0.1 +2087 GLU 95 M 98 O ? GLN 79 M 82 O ? -2.4 ASP 96 M 99 O ? -0.4 GLY 97 M 100 O ? -0.3 GLY 80 M 83 O ? -0.2 +2088 ASP 96 M 99 O ? GLN 79 M 82 O ? -1.7 GLN 77 M 80 O ? -0.0 GLN 79 M 82 O ? -2.6 GLU 95 M 98 O ? -0.4 +2089 GLY 97 M 100 O ? GLU 95 M 98 O ? -0.3 ILE 78 M 81 O ? -0.3 ASP 99 M 102 O ? -1.7 ILE 78 M 81 O ? -0.2 +2090 ILE 98 M 101 O ? ASP 76 M 79 O ? -2.1 ASP 96 M 99 O ? -0.3 ASP 76 M 79 O ? -1.6 ILE 78 M 81 O ? -0.2 +2091 ASP 99 M 102 O ? GLY 97 M 100 O ? -1.7 LEU 75 M 78 O ? -0.2 VAL 119 M 122 O ? -1.8 LYS 120 M 123 O ? -0.4 +2092 PHE 100 M 103 O ? THR 118 M 121 O ? -0.2 SER 74 M 77 O ? -0.1 THR 118 M 121 O ? -0.2 GLY 316 C 338 C ? -0.1 +2093 GLN 101 M 104 O ? PHE 117 M 120 O ? -2.2 ASP 99 M 102 O ? -0.3 PHE 117 M 120 O ? -1.9 VAL 103 M 106 O ? -0.3 +2094 PRO 102 M 105 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 104 M 107 O ? -0.4 LEU 116 M 119 O ? -0.2 +2095 VAL 103 M 106 O ? LEU 115 M 118 O ? -2.8 GLN 101 M 104 O ? -0.3 LEU 115 M 118 O ? -2.7 VAL 105 M 108 O ? -0.5 +2096 THR 104 M 107 O ? PRO 102 M 105 O ? -0.4 PRO 114 M 117 O ? -0.2 VAL 68 M 71 O ? -2.2 THR 69 M 72 O ? -0.7 +2097 VAL 105 M 108 O ? ILE 113 M 116 O ? -1.9 VAL 103 M 106 O ? -0.5 ILE 113 M 116 O ? -3.3 MET 107 M 110 O ? -0.4 +2098 GLN 106 M 109 O ? LYS 66 M 69 O ? -2.9 THR 104 M 107 O ? -0.3 LYS 66 M 69 O ? -2.8 ARG 112 M 115 O ? -0.2 +2099 MET 107 M 110 O ? GLU 111 M 114 O ? -2.9 VAL 105 M 108 O ? -0.4 GLY 110 M 113 O ? -2.2 THR 65 M 68 O ? -0.1 +2100 ALA 108 M 111 O ? PRO 64 M 67 O ? -0.4 GLY 109 M 112 O ? -0.3 GLU 111 M 114 O ? -0.3 GLY 76 V 77 b ? -0.2 +2101 GLY 109 M 112 O ? SER 75 V 76 b ? -1.8 GLY 110 M 113 O ? -0.1 ALA 108 M 111 O ? -0.3 GLY 76 V 77 b ? -0.1 +2102 GLY 110 M 113 O ? MET 107 M 110 O ? -2.2 SER 75 V 76 b ? -0.4 GLY 109 M 112 O ? -0.1 ALA 108 M 111 O ? -0.1 +2103 GLU 111 M 114 O ? ALA 108 M 111 O ? -0.3 GLN 106 M 109 O ? -0.1 MET 107 M 110 O ? -2.9 ILE 113 M 116 O ? -0.4 +2104 ARG 112 M 115 O ? GLN 106 M 109 O ? -0.2 GLY 110 M 113 O ? -0.1 GLN 106 M 109 O ? -0.2 GLU 111 M 114 O ? -0.1 +2105 ILE 113 M 116 O ? VAL 105 M 108 O ? -3.3 GLU 111 M 114 O ? -0.4 VAL 105 M 108 O ? -1.9 LEU 115 M 118 O ? -0.3 +2106 PRO 114 M 117 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 219 M 222 O ? -2.9 LEU 116 M 119 O ? -0.3 +2107 LEU 115 M 118 O ? VAL 103 M 106 O ? -2.7 ILE 113 M 116 O ? -0.3 VAL 103 M 106 O ? -2.8 PHE 117 M 120 O ? -0.8 +2108 LEU 116 M 119 O ? LEU 217 M 220 O ? -0.4 PRO 114 M 117 O ? -0.3 THR 118 M 121 O ? -0.4 LEU 217 M 220 O ? -0.1 +2109 PHE 117 M 120 O ? GLN 101 M 104 O ? -1.9 LEU 115 M 118 O ? -0.8 GLN 101 M 104 O ? -2.2 VAL 119 M 122 O ? -0.3 +2110 THR 118 M 121 O ? LEU 116 M 119 O ? -0.4 PHE 100 M 103 O ? -0.2 PHE 100 M 103 O ? -0.2 PHE 143 M 146 O ? -0.1 +2111 VAL 119 M 122 O ? ASP 99 M 102 O ? -1.8 PHE 117 M 120 O ? -0.3 LEU 122 M 125 O ? -1.5 GLU 94 M 97 O ? -0.1 +2112 LYS 120 M 123 O ? ASN 144 M 147 O ? -0.5 ASP 99 M 102 O ? -0.4 ASN 144 M 147 O ? -3.2 THR 118 M 121 O ? -0.1 +2113 ASN 121 M 124 O ? PHE 143 M 146 O ? -0.2 LEU 122 M 125 O ? -0.2 LYS 120 M 123 O ? -0.3 GLU 142 M 145 O ? -0.1 +2114 LEU 122 M 125 O ? VAL 119 M 122 O ? -1.5 PHE 143 M 146 O ? -0.1 GLU 94 M 97 O ? -2.6 ALA 124 M 127 O ? -0.4 +2115 VAL 123 M 126 O ? GLU 142 M 145 O ? -1.9 VAL 93 M 96 O ? -0.2 GLU 142 M 145 O ? -1.8 SER 125 M 128 O ? -0.4 +2116 ALA 124 M 127 O ? PHE 92 M 95 O ? -2.3 LEU 122 M 125 O ? -0.4 PHE 92 M 95 O ? -3.5 THR 126 M 129 O ? -0.3 +2117 SER 125 M 128 O ? LYS 140 M 143 O ? -2.4 VAL 123 M 126 O ? -0.4 LYS 140 M 143 O ? -2.7 THR 91 M 94 O ? -0.2 +2118 THR 126 M 129 O ? LEU 90 M 93 O ? -2.1 ALA 124 M 127 O ? -0.3 PHE 139 M 142 O ? -0.1 SER 89 M 92 O ? -0.1 +2119 GLN 127 M 130 O ? ASP 138 M 141 O ? -0.4 PRO 128 M 131 O ? -0.2 LEU 90 M 93 O ? -0.4 THR 126 M 129 O ? -0.2 +2120 PRO 128 M 131 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 88 M 91 O ? -0.3 GLN 127 M 130 O ? -0.2 +2121 ASN 129 M 132 O ? ASP 87 M 90 O ? -2.8 VAL 130 M 133 O ? -0.2 THR 131 M 134 O ? -1.0 SER 132 M 135 O ? -0.2 +2122 VAL 130 M 133 O ? GLY 88 M 91 O ? -1.9 THR 131 M 134 O ? -0.2 ASN 129 M 132 O ? -0.2 ILE 133 M 136 O ? -0.1 +2123 THR 131 M 134 O ? ASN 129 M 132 O ? -1.0 SER 132 M 135 O ? -0.2 ILE 29 M 32 O ? -3.1 ILE 133 M 136 O ? -0.3 +2124 SER 132 M 135 O ? PRO 28 M 31 O ? -0.3 ASN 129 M 132 O ? -0.2 THR 134 M 137 O ? -0.6 THR 131 M 134 O ? -0.2 +2125 ILE 133 M 136 O ? TYR 27 M 30 O ? -2.4 THR 131 M 134 O ? -0.3 TYR 27 M 30 O ? -2.4 THR 135 M 138 O ? -0.2 +2126 THR 134 M 137 O ? SER 132 M 135 O ? -0.6 ALA 26 M 29 O ? -0.2 THR 137 M 140 O ? -1.5 VAL 198 M 201 O ? -0.1 +2127 THR 135 M 138 O ? GLY 25 M 28 O ? -0.3 ARG 24 M 27 O ? -0.3 ALA 26 M 29 O ? -0.1 GLY 25 M 28 O ? -0.0 +2128 SER 136 M 139 O ? ASN 197 M 200 O ? -0.0 ASP 138 M 141 O ? -0.0 THR 135 M 138 O ? -0.3 ASP 138 M 141 O ? -0.1 +2129 THR 137 M 140 O ? THR 134 M 137 O ? -1.5 THR 126 M 129 O ? -0.1 VAL 198 M 201 O ? -1.3 PHE 139 M 142 O ? -0.4 +2130 ASP 138 M 141 O ? ASN 197 M 200 O ? -0.2 SER 136 M 139 O ? -0.1 LYS 140 M 143 O ? -0.5 GLN 127 M 130 O ? -0.4 +2131 PHE 139 M 142 O ? LEU 196 M 199 O ? -2.7 THR 137 M 140 O ? -0.4 LEU 196 M 199 O ? -3.2 GLY 141 M 144 O ? -0.4 +2132 LYS 140 M 143 O ? SER 125 M 128 O ? -2.7 ASP 138 M 141 O ? -0.5 SER 125 M 128 O ? -2.4 GLU 142 M 145 O ? -0.3 +2133 GLY 141 M 144 O ? ILE 194 M 197 O ? -2.3 PHE 139 M 142 O ? -0.4 ILE 194 M 197 O ? -2.2 PHE 143 M 146 O ? -0.3 +2134 GLU 142 M 145 O ? VAL 123 M 126 O ? -1.8 LYS 140 M 143 O ? -0.3 VAL 123 M 126 O ? -1.9 ASN 144 M 147 O ? -0.3 +2135 PHE 143 M 146 O ? GLY 192 M 195 O ? -1.8 GLY 141 M 144 O ? -0.3 GLY 192 M 195 O ? -2.1 VAL 145 M 148 O ? -0.3 +2136 ASN 144 M 147 O ? LYS 120 M 123 O ? -3.2 GLU 142 M 145 O ? -0.3 LYS 120 M 123 O ? -0.5 LYS 191 M 194 O ? -0.2 +2137 VAL 145 M 148 O ? THR 190 M 193 O ? -3.0 PHE 143 M 146 O ? -0.3 THR 190 M 193 O ? -2.0 TYR 148 M 151 O ? -0.1 +2138 PRO 146 M 149 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 189 M 192 O ? -0.2 LEU 116 M 119 O ? -0.1 +2139 SER 147 M 150 O ? SER 188 M 191 O ? -1.1 TYR 148 M 151 O ? -0.1 ASP 219 M 222 O ? -0.1 PHE 187 M 190 O ? -0.1 +2140 TYR 148 M 151 O ? VAL 145 M 148 O ? -0.1 PRO 114 M 117 O ? -0.1 THR 150 M 153 O ? -0.4 SER 147 M 150 O ? -0.1 +2141 ARG 149 M 152 O ? GLY 314 C 336 C ? -0.1 PHE 153 M 156 O ? -0.1 THR 313 C 335 C ? -0.2 ALA 151 M 154 O ? -0.1 +2142 THR 150 M 153 O ? PRO 312 C 334 C ? -1.0 TYR 148 M 151 O ? -0.4 PHE 153 M 156 O ? -1.9 LEU 161 M 164 O ? -0.2 +2143 ALA 151 M 154 O ? ALA 82 P 90 U ? -0.4 ASN 152 M 155 O ? -0.3 ALA 162 M 165 O ? -2.2 LEU 161 M 164 O ? -1.1 +2144 ASN 152 M 155 O ? ALA 162 M 165 O ? -0.2 LEU 161 M 164 O ? -0.2 ALA 151 M 154 O ? -0.3 LEU 154 M 157 O ? -0.1 +2145 PHE 153 M 156 O ? THR 150 M 153 O ? -1.9 PRO 312 C 334 C ? -0.2 ASP 155 M 158 O ? -0.5 LEU 161 M 164 O ? -0.4 +2146 LEU 154 M 157 O ? ASN 152 M 155 O ? -0.1 GLY 160 M 163 O ? -0.1 GLY 160 M 163 O ? -0.2 GLY 164 M 167 O ? -0.1 +2147 ASP 155 M 158 O ? ARG 159 M 162 O ? -3.0 PHE 153 M 156 O ? -0.5 GLY 158 M 161 O ? -2.4 GLU 300 D 310 D ? -0.1 +2148 PRO 156 M 159 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 310 D 320 D ? -0.2 THR 303 D 313 D ? -0.1 +2149 LYS 157 M 160 O ? ALA 295 D 305 D ? -0.2 ARG 159 M 162 O ? -0.1 ILE 169 M 172 O ? -0.2 TYR 165 M 168 O ? -0.1 +2150 GLY 158 M 161 O ? ASP 155 M 158 O ? -2.4 ARG 159 M 162 O ? -0.3 TYR 165 M 168 O ? -2.6 GLY 160 M 163 O ? -0.3 +2151 ARG 159 M 162 O ? GLY 164 M 167 O ? -0.3 ASP 166 M 169 O ? -0.1 ASP 155 M 158 O ? -3.0 GLY 158 M 161 O ? -0.3 +2152 GLY 160 M 163 O ? TYR 165 M 168 O ? -1.0 GLY 158 M 161 O ? -0.3 LYS 185 M 188 O ? -0.4 LEU 154 M 157 O ? -0.1 +2153 LEU 161 M 164 O ? ALA 151 M 154 O ? -1.1 PHE 153 M 156 O ? -0.4 ASP 6 P 14 U ? -0.2 ASN 152 M 155 O ? -0.2 +2154 ALA 162 M 165 O ? ALA 151 M 154 O ? -2.2 PHE 153 M 156 O ? -0.1 ARG 384 B 385 B ? -2.4 ALA 385 B 386 B ? -0.5 +2155 SER 163 M 166 O ? ALA 151 M 154 O ? -0.6 ARG 383 B 384 B ? -0.2 ARG 383 B 384 B ? -0.2 GLY 160 M 163 O ? -0.2 +2156 GLY 164 M 167 O ? ALA 162 M 165 O ? -0.3 ARG 159 M 162 O ? -0.2 ARG 159 M 162 O ? -0.3 ASP 166 M 169 O ? -0.1 +2157 TYR 165 M 168 O ? GLY 158 M 161 O ? -2.6 LYS 157 M 160 O ? -0.1 GLY 160 M 163 O ? -1.0 SER 163 M 166 O ? -0.1 +2158 ASP 166 M 169 O ? ARG 159 M 162 O ? -0.2 GLY 164 M 167 O ? -0.1 ALA 168 M 171 O ? -0.3 TYR 165 M 168 O ? -0.1 +2159 SER 167 M 170 O ? ALA 182 M 185 O ? -0.1 VAL 184 M 187 O ? -0.0 ILE 169 M 172 O ? -1.4 ALA 170 M 173 O ? -0.1 +2160 ALA 168 M 171 O ? ASP 166 M 169 O ? -0.3 ILE 169 M 172 O ? -0.2 LEU 171 M 174 O ? -2.1 ALA 174 M 177 O ? -0.2 +2161 ILE 169 M 172 O ? SER 167 M 170 O ? -1.4 ALA 170 M 173 O ? -0.3 ALA 168 M 171 O ? -0.2 PHE 365 B 366 B ? -0.1 +2162 ALA 170 M 173 O ? LEU 171 M 174 O ? -0.2 GLU 292 D 302 D ? -0.1 ILE 169 M 172 O ? -0.3 GLU 292 D 302 D ? -0.1 +2163 LEU 171 M 174 O ? ALA 168 M 171 O ? -2.1 PRO 172 M 175 O ? -0.1 ALA 174 M 177 O ? -1.8 ALA 170 M 173 O ? -0.2 +2164 PRO 172 M 175 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 441 B 442 B ? -0.2 LEU 171 M 174 O ? -0.1 +2165 GLN 173 M 176 O ? GLY 440 B 441 B ? -2.5 LYS 175 M 178 O ? -0.1 GLY 440 B 441 B ? -0.2 LYS 175 M 178 O ? -0.2 +2166 ALA 174 M 177 O ? LEU 171 M 174 O ? -1.8 GLY 440 B 441 B ? -0.3 GLU 176 M 179 O ? -0.5 ASP 439 B 440 B ? -0.1 +2167 LYS 175 M 178 O ? GLN 173 M 176 O ? -0.2 GLU 176 M 179 O ? -0.2 GLU 178 M 181 O ? -0.7 LEU 179 M 182 O ? -0.3 +2168 GLU 176 M 179 O ? ALA 174 M 177 O ? -0.5 GLU 177 M 180 O ? -0.2 LEU 179 M 182 O ? -2.1 ALA 180 M 183 O ? -0.4 +2169 GLU 177 M 180 O ? GLU 178 M 181 O ? -0.3 LEU 179 M 182 O ? -0.2 ALA 180 M 183 O ? -0.8 ARG 181 M 184 O ? -0.2 +2170 GLU 178 M 181 O ? LYS 175 M 178 O ? -0.7 LEU 179 M 182 O ? -0.2 GLU 177 M 180 O ? -0.3 GLU 176 M 179 O ? -0.2 +2171 LEU 179 M 182 O ? GLU 176 M 179 O ? -2.1 LYS 175 M 178 O ? -0.3 ASN 183 M 186 O ? -2.0 ALA 182 M 185 O ? -1.0 +2172 ALA 180 M 183 O ? GLU 177 M 180 O ? -0.8 GLU 176 M 179 O ? -0.4 VAL 184 M 187 O ? -2.3 LEU 179 M 182 O ? -0.1 +2173 ARG 181 M 184 O ? GLU 177 M 180 O ? -0.2 ALA 182 M 185 O ? -0.2 ALA 180 M 183 O ? -0.3 LEU 179 M 182 O ? -0.1 +2174 ALA 182 M 185 O ? LEU 179 M 182 O ? -1.0 ASN 183 M 186 O ? -0.1 ARG 181 M 184 O ? -0.2 ALA 180 M 183 O ? -0.2 +2175 ASN 183 M 186 O ? LEU 179 M 182 O ? -2.0 VAL 184 M 187 O ? -0.2 LYS 185 M 188 O ? -0.8 ARG 181 M 184 O ? -0.2 +2176 VAL 184 M 187 O ? ALA 180 M 183 O ? -2.3 LEU 179 M 182 O ? -0.2 ARG 186 M 189 O ? -0.2 ASN 183 M 186 O ? -0.2 +2177 LYS 185 M 188 O ? ASN 183 M 186 O ? -0.8 GLY 160 M 163 O ? -0.4 PHE 187 M 190 O ? -0.4 VAL 4 P 12 U ? -0.3 +2178 ARG 186 M 189 O ? MET 222 M 225 O ? -2.3 VAL 184 M 187 O ? -0.2 SER 188 M 191 O ? -0.7 ALA 224 M 227 O ? -0.1 +2179 PHE 187 M 190 O ? LYS 185 M 188 O ? -0.4 MET 222 M 225 O ? -0.1 LEU 189 M 192 O ? -0.2 ALA 82 P 90 U ? -0.1 +2180 SER 188 M 191 O ? ARG 186 M 189 O ? -0.7 THR 81 P 89 U ? -0.1 SER 147 M 150 O ? -1.1 THR 190 M 193 O ? -0.3 +2181 LEU 189 M 192 O ? PHE 187 M 190 O ? -0.2 PRO 146 M 149 O ? -0.2 LYS 191 M 194 O ? -0.2 PHE 187 M 190 O ? -0.0 +2182 THR 190 M 193 O ? VAL 145 M 148 O ? -2.0 SER 188 M 191 O ? -0.3 VAL 145 M 148 O ? -3.0 GLY 192 M 195 O ? -0.3 +2183 LYS 191 M 194 O ? ASN 144 M 147 O ? -0.2 LEU 189 M 192 O ? -0.2 GLN 193 M 196 O ? -0.3 ASN 144 M 147 O ? -0.2 +2184 GLY 192 M 195 O ? PHE 143 M 146 O ? -2.1 THR 190 M 193 O ? -0.3 PHE 143 M 146 O ? -1.8 ILE 194 M 197 O ? -0.4 +2185 GLN 193 M 196 O ? GLU 215 M 218 O ? -1.6 LYS 191 M 194 O ? -0.3 GLU 215 M 218 O ? -2.7 SER 195 M 198 O ? -0.4 +2186 ILE 194 M 197 O ? GLY 141 M 144 O ? -2.2 GLY 192 M 195 O ? -0.4 GLY 141 M 144 O ? -2.3 LEU 196 M 199 O ? -0.4 +2187 SER 195 M 198 O ? GLU 213 M 216 O ? -2.8 GLN 193 M 196 O ? -0.4 GLU 213 M 216 O ? -1.9 ASN 197 M 200 O ? -0.6 +2188 LEU 196 M 199 O ? PHE 139 M 142 O ? -3.2 ILE 194 M 197 O ? -0.4 PHE 139 M 142 O ? -2.7 VAL 198 M 201 O ? -0.8 +2189 ASN 197 M 200 O ? THR 211 M 214 O ? -2.4 SER 195 M 198 O ? -0.6 THR 211 M 214 O ? -1.6 ALA 199 M 202 O ? -0.2 +2190 VAL 198 M 201 O ? THR 137 M 140 O ? -1.3 LEU 196 M 199 O ? -0.8 GLY 210 M 213 O ? -0.3 VAL 201 M 204 O ? -0.1 +2191 ALA 199 M 202 O ? ALA 209 M 212 O ? -2.5 LYS 200 M 203 O ? -0.3 VAL 201 M 204 O ? -0.3 GLY 210 M 213 O ? -0.2 +2192 LYS 200 M 203 O ? ALA 209 M 212 O ? -2.2 THR 134 M 137 O ? -0.1 ALA 209 M 212 O ? -2.1 ASP 202 M 205 O ? -0.4 +2193 VAL 201 M 204 O ? ALA 23 M 26 O ? -1.0 ALA 199 M 202 O ? -0.3 GLY 25 M 28 O ? -1.6 GLY 203 M 206 O ? -0.7 +2194 ASP 202 M 205 O ? GLU 207 M 210 O ? -2.9 LYS 200 M 203 O ? -0.4 GLY 206 M 209 O ? -2.0 GLU 207 M 210 O ? -1.0 +2195 GLY 203 M 206 O ? VAL 201 M 204 O ? -0.7 ARG 204 M 207 O ? -0.2 ASP 202 M 205 O ? -0.1 ILE 133 M 136 O ? -0.1 +2196 ARG 204 M 207 O ? THR 205 M 208 O ? -0.1 TYR 27 M 30 O ? -0.1 GLY 203 M 206 O ? -0.2 TYR 27 M 30 O ? -0.0 +2197 THR 205 M 208 O ? GLU 207 M 210 O ? -0.1 GLU 241 M 244 O ? -0.0 GLY 203 M 206 O ? -0.2 ARG 204 M 207 O ? -0.1 +2198 GLY 206 M 209 O ? ASP 202 M 205 O ? -2.0 GLU 207 M 210 O ? -0.3 ILE 240 M 243 O ? -3.9 ILE 208 M 211 O ? -0.4 +2199 GLU 207 M 210 O ? ASP 202 M 205 O ? -1.0 SER 239 M 242 O ? -0.3 ASP 202 M 205 O ? -2.9 ALA 209 M 212 O ? -0.3 +2200 ILE 208 M 211 O ? ALA 238 M 241 O ? -3.1 GLY 206 M 209 O ? -0.4 ALA 238 M 241 O ? -2.8 GLY 210 M 213 O ? -0.3 +2201 ALA 209 M 212 O ? LYS 200 M 203 O ? -2.1 GLU 207 M 210 O ? -0.3 ALA 199 M 202 O ? -2.5 LYS 200 M 203 O ? -2.2 +2202 GLY 210 M 213 O ? PHE 236 M 239 O ? -1.9 ILE 208 M 211 O ? -0.3 PHE 236 M 239 O ? -2.3 PHE 212 M 215 O ? -0.3 +2203 THR 211 M 214 O ? ASN 197 M 200 O ? -1.6 VAL 235 M 238 O ? -0.3 ASN 197 M 200 O ? -2.4 GLU 213 M 216 O ? -0.3 +2204 PHE 212 M 215 O ? GLY 234 M 237 O ? -2.2 GLY 210 M 213 O ? -0.3 GLY 234 M 237 O ? -1.4 SER 214 M 217 O ? -0.4 +2205 GLU 213 M 216 O ? SER 195 M 198 O ? -1.9 THR 211 M 214 O ? -0.3 SER 195 M 198 O ? -2.8 GLU 215 M 218 O ? -0.3 +2206 SER 214 M 217 O ? ILE 232 M 235 O ? -2.5 PHE 212 M 215 O ? -0.4 ILE 232 M 235 O ? -3.1 GLN 216 M 219 O ? -0.4 +2207 GLU 215 M 218 O ? GLN 193 M 196 O ? -2.7 GLU 213 M 216 O ? -0.3 GLN 193 M 196 O ? -1.6 LEU 217 M 220 O ? -0.3 +2208 GLN 216 M 219 O ? VAL 230 M 233 O ? -2.3 SER 214 M 217 O ? -0.4 VAL 230 M 233 O ? -3.2 SER 218 M 221 O ? -0.2 +2209 LEU 217 M 220 O ? GLU 215 M 218 O ? -0.3 GLU 229 M 232 O ? -0.2 LEU 116 M 119 O ? -0.4 GLU 229 M 232 O ? -0.2 +2210 SER 218 M 221 O ? HIS 228 M 231 O ? -2.3 GLN 216 M 219 O ? -0.2 LEU 115 M 118 O ? -0.3 LEU 217 M 220 O ? -0.1 +2211 ASP 219 M 222 O ? PRO 114 M 117 O ? -2.9 ASP 220 M 223 O ? -0.1 HIS 228 M 231 O ? -0.2 SER 218 M 221 O ? -0.2 +2212 ASP 220 M 223 O ? PRO 227 M 230 O ? -0.1 LEU 217 M 220 O ? -0.1 HIS 225 M 228 O ? -1.7 ALA 224 M 227 O ? -0.7 +2213 ASP 221 M 224 O ? MET 222 M 225 O ? -0.2 GLY 223 M 226 O ? -0.2 ALA 224 M 227 O ? -1.3 ARG 186 M 189 O ? -0.1 +2214 MET 222 M 225 O ? GLY 223 M 226 O ? -0.3 LYS 185 M 188 O ? -0.1 ARG 186 M 189 O ? -2.3 ASP 221 M 224 O ? -0.2 +2215 GLY 223 M 226 O ? ASP 220 M 223 O ? -0.4 HIS 225 M 228 O ? -0.3 MET 222 M 225 O ? -0.3 ASP 221 M 224 O ? -0.2 +2216 ALA 224 M 227 O ? ASP 221 M 224 O ? -1.3 ASP 220 M 223 O ? -0.7 GLU 226 M 229 O ? -0.3 ASP 221 M 224 O ? -0.2 +2217 HIS 225 M 228 O ? ASP 220 M 223 O ? -1.7 ARG 181 M 184 O ? -0.0 GLY 223 M 226 O ? -0.3 ALA 224 M 227 O ? -0.1 +2218 GLU 226 M 229 O ? ALA 224 M 227 O ? -0.3 PRO 227 M 230 O ? -0.1 HIS 228 M 231 O ? -0.1 ASP 219 M 222 O ? -0.0 +2219 PRO 227 M 230 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 229 M 232 O ? -0.3 ASP 220 M 223 O ? -0.1 +2220 HIS 228 M 231 O ? ASP 219 M 222 O ? -0.2 GLU 226 M 229 O ? -0.1 SER 218 M 221 O ? -2.3 VAL 230 M 233 O ? -0.4 +2221 GLU 229 M 232 O ? LYS 50 M 53 O ? -0.3 PRO 227 M 230 O ? -0.3 LYS 50 M 53 O ? -2.1 LYS 231 M 234 O ? -0.4 +2222 VAL 230 M 233 O ? GLN 216 M 219 O ? -3.2 HIS 228 M 231 O ? -0.4 GLN 216 M 219 O ? -2.3 ILE 232 M 235 O ? -0.5 +2223 LYS 231 M 234 O ? LEU 48 M 51 O ? -3.0 GLU 229 M 232 O ? -0.4 LEU 48 M 51 O ? -2.9 GLN 233 M 236 O ? -0.5 +2224 ILE 232 M 235 O ? SER 214 M 217 O ? -3.1 VAL 230 M 233 O ? -0.5 SER 214 M 217 O ? -2.5 GLY 234 M 237 O ? -0.3 +2225 GLN 233 M 236 O ? THR 46 M 49 O ? -2.1 LYS 231 M 234 O ? -0.5 THR 45 M 48 O ? -3.2 THR 46 M 49 O ? -2.0 +2226 GLY 234 M 237 O ? PHE 212 M 215 O ? -1.4 ILE 232 M 235 O ? -0.3 PHE 212 M 215 O ? -2.2 PHE 236 M 239 O ? -0.3 +2227 VAL 235 M 238 O ? GLN 43 M 46 O ? -2.1 GLN 233 M 236 O ? -0.3 GLN 43 M 46 O ? -3.1 TYR 237 M 240 O ? -0.3 +2228 PHE 236 M 239 O ? GLY 210 M 213 O ? -2.3 GLY 234 M 237 O ? -0.3 GLY 210 M 213 O ? -1.9 ALA 238 M 241 O ? -0.3 +2229 TYR 237 M 240 O ? CYS 41 M 44 O ? -2.1 VAL 235 M 238 O ? -0.3 CYS 41 M 44 O ? -3.1 SER 239 M 242 O ? -0.3 +2230 ALA 238 M 241 O ? ILE 208 M 211 O ? -2.8 PHE 236 M 239 O ? -0.3 ILE 208 M 211 O ? -3.1 ILE 240 M 243 O ? -0.5 +2231 SER 239 M 242 O ? ARG 39 M 42 O ? -1.9 TYR 237 M 240 O ? -0.3 ALA 38 M 41 O ? -2.1 ARG 39 M 42 O ? -1.0 +2232 ILE 240 M 243 O ? GLY 206 M 209 O ? -3.9 ALA 238 M 241 O ? -0.5 ILE 37 M 40 O ? -0.2 ALA 238 M 241 O ? -0.0 +2233 GLU 241 M 244 O ? ARG 36 M 39 O ? -2.5 SER 239 M 242 O ? -0.3 ARG 36 M 39 O ? -2.8 ALA 243 M 246 O ? -0.1 +2234 PRO 242 M 245 O ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 35 M 38 O ? -0.3 GLN 33 M 36 O ? -0.0 +2235 ALA 243 M 246 O ? THR 34 M 37 O ? -3.2 GLU 241 M 244 O ? -0.1 TYR 35 M 38 O ? -0.2 GLU 81 M 84 O ? -0.0 +2236 ASP 1 N 2 R ? TRP 2 N 3 R ? -0.0 LEU 5 N 6 R ? -0.0 VAL 4 N 5 R ? -1.2 LEU 5 N 6 R ? -0.8 +2237 TRP 2 N 3 R ? ARG 3 N 4 R ? -0.3 VAL 4 N 5 R ? -0.2 VAL 6 N 7 R ? -2.3 VAL 7 N 8 R ? -0.2 +2238 ARG 3 N 4 R ? VAL 4 N 5 R ? -0.2 LEU 5 N 6 R ? -0.2 VAL 7 N 8 R ? -1.3 TRP 2 N 3 R ? -0.3 +2239 VAL 4 N 5 R ? ASP 1 N 2 R ? -1.2 VAL 6 N 7 R ? -0.2 LEU 8 N 9 R ? -2.6 ARG 3 N 4 R ? -0.2 +2240 LEU 5 N 6 R ? ASP 1 N 2 R ? -0.8 VAL 7 N 8 R ? -0.2 LEU 9 N 10 R ? -2.3 ARG 3 N 4 R ? -0.2 +2241 VAL 6 N 7 R ? TRP 2 N 3 R ? -2.3 LEU 8 N 9 R ? -0.2 LEU 5 N 6 R ? -0.2 VAL 4 N 5 R ? -0.2 +2242 VAL 7 N 8 R ? ARG 3 N 4 R ? -1.3 TRP 2 N 3 R ? -0.2 VAL 11 N 12 R ? -0.6 LEU 5 N 6 R ? -0.2 +2243 LEU 8 N 9 R ? VAL 4 N 5 R ? -2.6 LEU 9 N 10 R ? -0.2 LEU 12 N 13 R ? -2.4 VAL 11 N 12 R ? -0.7 +2244 LEU 9 N 10 R ? LEU 5 N 6 R ? -2.3 PRO 10 N 11 R ? -0.3 LEU 13 N 14 R ? -2.6 ALA 14 N 15 R ? -0.2 +2245 PRO 10 N 11 R ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 14 N 15 R ? -0.6 LEU 9 N 10 R ? -0.3 +2246 VAL 11 N 12 R ? LEU 8 N 9 R ? -0.7 VAL 7 N 8 R ? -0.6 ALA 15 N 16 R ? -1.8 ALA 14 N 15 R ? -0.3 +2247 LEU 12 N 13 R ? LEU 8 N 9 R ? -2.4 LEU 13 N 14 R ? -0.2 GLY 16 N 17 R ? -2.2 TRP 17 N 18 R ? -0.2 +2248 LEU 13 N 14 R ? LEU 9 N 10 R ? -2.6 ALA 14 N 15 R ? -0.2 TRP 17 N 18 R ? -1.0 LEU 12 N 13 R ? -0.2 +2249 ALA 14 N 15 R ? PRO 10 N 11 R ? -0.6 VAL 11 N 12 R ? -0.3 ALA 18 N 19 R ? -1.7 LEU 12 N 13 R ? -0.2 +2250 ALA 15 N 16 R ? VAL 11 N 12 R ? -1.8 TRP 17 N 18 R ? -0.2 VAL 19 N 20 R ? -1.7 LEU 13 N 14 R ? -0.2 +2251 GLY 16 N 17 R ? LEU 12 N 13 R ? -2.2 ALA 18 N 19 R ? -0.2 ARG 20 N 21 R ? -2.2 ALA 15 N 16 R ? -0.2 +2252 TRP 17 N 18 R ? LEU 13 N 14 R ? -1.0 VAL 19 N 20 R ? -0.2 ASN 21 N 22 R ? -1.2 GLY 16 N 17 R ? -0.2 +2253 ALA 18 N 19 R ? ALA 14 N 15 R ? -1.7 ARG 20 N 21 R ? -0.2 ILE 22 N 23 R ? -0.8 TRP 17 N 18 R ? -0.2 +2254 VAL 19 N 20 R ? ALA 15 N 16 R ? -1.7 ARG 20 N 21 R ? -0.2 LEU 23 N 24 R ? -2.8 ILE 22 N 23 R ? -0.8 +2255 ARG 20 N 21 R ? GLY 16 N 17 R ? -2.2 ASN 21 N 22 R ? -0.2 VAL 19 N 20 R ? -0.2 ALA 18 N 19 R ? -0.2 +2256 ASN 21 N 22 R ? TRP 17 N 18 R ? -1.2 ILE 22 N 23 R ? -0.1 ARG 20 N 21 R ? -0.2 VAL 19 N 20 R ? -0.2 +2257 ILE 22 N 23 R ? VAL 19 N 20 R ? -0.8 ALA 18 N 19 R ? -0.8 ALA 26 N 27 R ? -2.0 TYR 25 N 26 R ? -0.6 +2258 LEU 23 N 24 R ? VAL 19 N 20 R ? -2.8 PRO 24 N 25 R ? -0.2 VAL 27 N 28 R ? -2.9 LYS 28 N 29 R ? -0.3 +2259 PRO 24 N 25 R ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 28 N 29 R ? -0.6 LEU 23 N 24 R ? -0.2 +2260 TYR 25 N 26 R ? ILE 22 N 23 R ? -0.6 VAL 27 N 28 R ? -0.2 GLN 29 N 30 R ? -0.7 LEU 23 N 24 R ? -0.2 +2261 ALA 26 N 27 R ? ILE 22 N 23 R ? -2.0 LYS 28 N 29 R ? -0.2 VAL 30 N 31 R ? -2.2 GLN 29 N 30 R ? -0.6 +2262 VAL 27 N 28 R ? LEU 23 N 24 R ? -2.9 LYS 28 N 29 R ? -0.2 GLN 31 N 32 R ? -1.3 ALA 26 N 27 R ? -0.2 +2263 LYS 28 N 29 R ? PRO 24 N 25 R ? -0.6 LEU 23 N 24 R ? -0.3 LYS 32 N 33 R ? -1.0 VAL 27 N 28 R ? -0.2 +2264 GLN 29 N 30 R ? TYR 25 N 26 R ? -0.7 ALA 26 N 27 R ? -0.6 LEU 33 N 34 R ? -0.8 VAL 27 N 28 R ? -0.2 +2265 VAL 30 N 31 R ? ALA 26 N 27 R ? -2.2 LYS 32 N 33 R ? -0.2 LEU 33 N 34 R ? -0.5 LYS 28 N 29 R ? -0.2 +2266 GLN 31 N 32 R ? VAL 27 N 28 R ? -1.3 LYS 32 N 33 R ? -0.2 LEU 34 N 35 R ? -1.7 GLN 29 N 30 R ? -0.2 +2267 LYS 32 N 33 R ? LYS 28 N 29 R ? -1.0 LEU 33 N 34 R ? -0.3 GLN 31 N 32 R ? -0.2 VAL 30 N 31 R ? -0.2 +2268 LEU 33 N 34 R ? GLN 29 N 30 R ? -0.8 VAL 30 N 31 R ? -0.5 LYS 32 N 33 R ? -0.3 GLN 31 N 32 R ? -0.2 +2269 LEU 34 N 35 R ? GLN 31 N 32 R ? -1.7 ASP 34 R 35 X ? -0.0 GLN 31 N 32 R ? -0.0 ILE 33 R 34 X ? -0.0 +2270 FME 1 O 1 T ? THR 3 O 3 T ? -0.2 GLU 2 O 2 T ? -0.2 THR 5 O 5 T ? -2.3 TYR 6 O 6 T ? -0.1 +2271 GLU 2 O 2 T ? THR 3 O 3 T ? -0.2 ILE 4 O 4 T ? -0.2 TYR 6 O 6 T ? -2.8 VAL 7 O 7 T ? -0.2 +2272 THR 3 O 3 T ? ILE 4 O 4 T ? -0.2 THR 5 O 5 T ? -0.2 VAL 7 O 7 T ? -2.5 PHE 8 O 8 T ? -0.3 +2273 ILE 4 O 4 T ? THR 5 O 5 T ? -0.2 TYR 6 O 6 T ? -0.2 PHE 8 O 8 T ? -2.9 GLU 2 O 2 T ? -0.2 +2274 THR 5 O 5 T ? FME 1 O 1 T ? -2.3 TYR 6 O 6 T ? -0.2 ILE 9 O 9 T ? -2.3 ILE 4 O 4 T ? -0.2 +2275 TYR 6 O 6 T ? GLU 2 O 2 T ? -2.8 VAL 7 O 7 T ? -0.2 PHE 10 O 10 T ? -1.8 THR 5 O 5 T ? -0.2 +2276 VAL 7 O 7 T ? THR 3 O 3 T ? -2.5 GLU 2 O 2 T ? -0.2 ALA 11 O 11 T ? -2.7 TYR 6 O 6 T ? -0.2 +2277 PHE 8 O 8 T ? ILE 4 O 4 T ? -2.9 THR 3 O 3 T ? -0.3 CYS 12 O 12 T ? -2.0 TYR 6 O 6 T ? -0.2 +2278 ILE 9 O 9 T ? THR 5 O 5 T ? -2.3 PHE 10 O 10 T ? -0.2 ILE 13 O 13 T ? -1.9 PHE 8 O 8 T ? -0.2 +2279 PHE 10 O 10 T ? TYR 6 O 6 T ? -1.8 ALA 11 O 11 T ? -0.2 ILE 14 O 14 T ? -2.2 ILE 9 O 9 T ? -0.2 +2280 ALA 11 O 11 T ? VAL 7 O 7 T ? -2.7 CYS 12 O 12 T ? -0.2 ALA 15 O 15 T ? -2.3 PHE 10 O 10 T ? -0.2 +2281 CYS 12 O 12 T ? PHE 8 O 8 T ? -2.0 ILE 14 O 14 T ? -0.2 LEU 16 O 16 T ? -2.5 ALA 11 O 11 T ? -0.2 +2282 ILE 13 O 13 T ? ILE 9 O 9 T ? -1.9 ALA 15 O 15 T ? -0.2 PHE 17 O 17 T ? -2.2 ALA 11 O 11 T ? -0.2 +2283 ILE 14 O 14 T ? PHE 10 O 10 T ? -2.2 ALA 15 O 15 T ? -0.2 PHE 18 O 18 T ? -1.5 CYS 12 O 12 T ? -0.2 +2284 ALA 15 O 15 T ? ALA 11 O 11 T ? -2.3 LEU 16 O 16 T ? -0.2 PHE 19 O 19 T ? -1.8 ILE 13 O 13 T ? -0.2 +2285 LEU 16 O 16 T ? CYS 12 O 12 T ? -2.5 PHE 17 O 17 T ? -0.2 ALA 20 O 20 T ? -2.6 ALA 15 O 15 T ? -0.2 +2286 PHE 17 O 17 T ? ILE 13 O 13 T ? -2.2 PHE 18 O 18 T ? -0.2 ILE 21 O 21 T ? -1.8 PHE 22 O 22 T ? -0.2 +2287 PHE 18 O 18 T ? ILE 14 O 14 T ? -1.5 PHE 19 O 19 T ? -0.2 PHE 22 O 22 T ? -2.4 PHE 23 O 23 T ? -0.4 +2288 PHE 19 O 19 T ? ALA 15 O 15 T ? -1.8 ALA 20 O 20 T ? -0.2 PHE 23 O 23 T ? -1.8 PHE 18 O 18 T ? -0.2 +2289 ALA 20 O 20 T ? LEU 16 O 16 T ? -2.6 ALA 15 O 15 T ? -0.2 PHE 19 O 19 T ? -0.2 PHE 18 O 18 T ? -0.2 +2290 ILE 21 O 21 T ? PHE 17 O 17 T ? -1.8 LEU 16 O 16 T ? -0.2 ARG 24 O 24 T ? -0.6 PHE 19 O 19 T ? -0.2 +2291 PHE 22 O 22 T ? PHE 18 O 18 T ? -2.4 PHE 17 O 17 T ? -0.2 PHE 19 O 19 T ? -0.2 ALA 20 O 20 T ? -0.2 +2292 PHE 23 O 23 T ? PHE 19 O 19 T ? -1.8 PHE 18 O 18 T ? -0.4 PHE 22 O 22 T ? -0.2 GLU 25 O 25 T ? -0.1 +2293 ARG 24 O 24 T ? ILE 21 O 21 T ? -0.6 GLU 25 O 25 T ? -0.1 ILE 21 O 21 T ? -0.1 ALA 20 O 20 T ? -0.1 +2294 GLU 25 O 25 T ? PHE 23 O 23 T ? -0.1 ALA 20 O 20 T ? -0.1 ARG 24 O 24 T ? -0.1 PHE 23 O 23 T ? -0.1 +2295 PRO 26 O 26 T ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 28 O 28 T ? -0.4 GLU 25 O 25 T ? -0.1 +2296 PRO 27 O 27 T ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 29 O 29 T ? -0.4 ASP 451 C 473 C ? -0.2 +2297 ARG 28 O 28 T ? PRO 26 O 26 T ? -0.4 SER 449 C 471 C ? -0.0 THR 30 O 30 T ? -0.3 PHE 229 A 239 A ? -0.1 +2298 ILE 29 O 29 T ? PRO 27 O 27 T ? -0.4 GLY 230 A 240 A ? -0.1 GLY 230 A 240 A ? -0.2 PHE 229 A 239 A ? -0.1 +2299 THR 30 O 30 T ? PHE 229 A 239 A ? -1.9 ARG 28 O 28 T ? -0.3 LYS 228 A 238 A ? -0.1 ARG 28 O 28 T ? -0.0 +2300 LEU 1 P 9 U ? VAL 2 P 10 U ? -0.1 VAL 184 M 187 O ? -0.1 ASN 3 P 11 U ? -0.4 LYS 185 M 188 O ? -0.1 +2301 VAL 2 P 10 U ? VAL 184 M 187 O ? -0.1 LYS 185 M 188 O ? -0.0 VAL 4 P 12 U ? -0.6 LEU 1 P 9 U ? -0.1 +2302 ASN 3 P 11 U ? LEU 1 P 9 U ? -0.4 VAL 4 P 12 U ? -0.1 GLU 7 P 15 U ? -1.7 ARG 186 M 189 O ? -0.1 +2303 VAL 4 P 12 U ? VAL 2 P 10 U ? -0.6 LYS 185 M 188 O ? -0.3 LYS 8 P 16 U ? -1.6 ASN 3 P 11 U ? -0.1 +2304 VAL 5 P 13 U ? GLU 7 P 15 U ? -0.2 ASP 6 P 14 U ? -0.2 LEU 9 P 17 U ? -1.2 VAL 4 P 12 U ? -0.2 +2305 ASP 6 P 14 U ? GLU 7 P 15 U ? -0.2 LYS 8 P 16 U ? -0.2 GLY 10 P 18 U ? -0.4 LEU 9 P 17 U ? -0.2 +2306 GLU 7 P 15 U ? ASN 3 P 11 U ? -1.7 LYS 8 P 16 U ? -0.2 GLY 10 P 18 U ? -1.4 VAL 5 P 13 U ? -0.2 +2307 LYS 8 P 16 U ? VAL 4 P 12 U ? -1.6 LEU 9 P 17 U ? -0.3 THR 11 P 19 U ? -1.9 GLY 14 P 22 U ? -0.5 +2308 LEU 9 P 17 U ? VAL 5 P 13 U ? -1.2 GLY 10 P 18 U ? -0.3 LYS 8 P 16 U ? -0.3 GLU 7 P 15 U ? -0.2 +2309 GLY 10 P 18 U ? GLU 7 P 15 U ? -1.4 ASP 6 P 14 U ? -0.4 LEU 9 P 17 U ? -0.3 LYS 8 P 16 U ? -0.2 +2310 THR 11 P 19 U ? LYS 8 P 16 U ? -1.9 GLU 7 P 15 U ? -0.1 GLY 14 P 22 U ? -2.1 GLU 15 P 23 U ? -0.2 +2311 ALA 12 P 20 U ? TYR 13 P 21 U ? -0.3 GLY 14 P 22 U ? -0.2 LYS 16 P 24 U ? -2.4 GLU 15 P 23 U ? -1.9 +2312 TYR 13 P 21 U ? LYS 8 P 16 U ? -0.4 GLY 14 P 22 U ? -0.3 ALA 12 P 20 U ? -0.3 ASP 18 P 26 U ? -0.2 +2313 GLY 14 P 22 U ? THR 11 P 19 U ? -2.1 LYS 8 P 16 U ? -0.5 TYR 13 P 21 U ? -0.3 ALA 12 P 20 U ? -0.2 +2314 GLU 15 P 23 U ? ALA 12 P 20 U ? -1.9 LYS 16 P 24 U ? -0.2 ILE 17 P 25 U ? -0.2 TYR 13 P 21 U ? -0.2 +2315 LYS 16 P 24 U ? ALA 12 P 20 U ? -2.4 ? ? ? ? ? ? ? ASP 18 P 26 U ? -0.8 PHE 74 P 82 U ? -0.2 +2316 ILE 17 P 25 U ? HIS 73 P 81 U ? -1.9 GLU 15 P 23 U ? -0.2 THR 75 P 83 U ? -1.9 LEU 19 P 27 U ? -0.7 +2317 ASP 18 P 26 U ? LYS 16 P 24 U ? -0.8 TYR 13 P 21 U ? -0.2 THR 22 P 30 U ? -2.0 ASN 21 P 29 U ? -1.4 +2318 LEU 19 P 27 U ? THR 75 P 83 U ? -2.6 ILE 17 P 25 U ? -0.7 ASP 18 P 26 U ? -0.2 VAL 76 P 84 U ? -0.1 +2319 ASN 20 P 28 U ? THR 75 P 83 U ? -0.3 THR 77 P 85 U ? -0.1 LEU 19 P 27 U ? -0.3 GLU 80 P 88 U ? -0.2 +2320 ASN 21 P 29 U ? ASP 18 P 26 U ? -1.4 VAL 79 P 87 U ? -0.1 LEU 19 P 27 U ? -0.2 VAL 76 P 84 U ? -0.0 +2321 THR 22 P 30 U ? ASP 18 P 26 U ? -2.0 ASN 23 P 31 U ? -0.1 PHE 27 P 35 U ? -0.1 ILE 17 P 25 U ? -0.0 +2322 ASN 23 P 31 U ? ALA 385 B 386 B ? -0.1 ILE 24 P 32 U ? -0.1 ALA 26 P 34 U ? -1.9 PHE 27 P 35 U ? -0.2 +2323 ILE 24 P 32 U ? ARG 89 P 97 U ? -3.2 ALA 25 P 33 U ? -0.3 PHE 27 P 35 U ? -1.5 ASN 23 P 31 U ? -0.1 +2324 ALA 25 P 33 U ? ALA 26 P 34 U ? -0.3 ARG 89 P 97 U ? -0.2 ILE 28 P 36 U ? -1.4 ILE 24 P 32 U ? -0.3 +2325 ALA 26 P 34 U ? ASN 23 P 31 U ? -1.9 PHE 27 P 35 U ? -0.2 GLN 29 P 37 U ? -1.6 ALA 25 P 33 U ? -0.3 +2326 PHE 27 P 35 U ? ILE 24 P 32 U ? -1.5 ILE 28 P 36 U ? -0.3 TYR 30 P 38 U ? -0.8 LEU 33 P 41 U ? -0.4 +2327 ILE 28 P 36 U ? ALA 25 P 33 U ? -1.4 GLN 29 P 37 U ? -0.2 PHE 27 P 35 U ? -0.3 ALA 26 P 34 U ? -0.1 +2328 GLN 29 P 37 U ? ALA 26 P 34 U ? -1.6 ALA 25 P 33 U ? -0.2 ARG 31 P 39 U ? -0.3 ILE 28 P 36 U ? -0.2 +2329 TYR 30 P 38 U ? PHE 27 P 35 U ? -0.8 ALA 26 P 34 U ? -0.1 LEU 33 P 41 U ? -1.0 TYR 34 P 42 U ? -0.3 +2330 ARG 31 P 39 U ? GLN 29 P 37 U ? -0.3 GLY 32 P 40 U ? -0.2 ALA 62 Q 62 V ? -0.1 ASP 83 Q 83 V ? -0.1 +2331 GLY 32 P 40 U ? LEU 61 Q 61 V ? -0.5 TYR 82 Q 82 V ? -0.3 LEU 37 P 45 U ? -0.3 ARG 31 P 39 U ? -0.2 +2332 LEU 33 P 41 U ? TYR 30 P 38 U ? -1.0 PHE 27 P 35 U ? -0.4 ALA 38 P 46 U ? -2.5 LYS 39 P 47 U ? -0.2 +2333 TYR 34 P 42 U ? TYR 30 P 38 U ? -0.3 PHE 27 P 35 U ? -0.3 GLY 32 P 40 U ? -0.2 ASP 83 Q 83 V ? -0.1 +2334 PRO 35 P 43 U ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 39 P 47 U ? -2.3 LEU 40 P 48 U ? -0.2 +2335 THR 36 P 44 U ? LEU 37 P 45 U ? -0.2 ALA 38 P 46 U ? -0.2 LEU 40 P 48 U ? -1.7 TYR 34 P 42 U ? -0.1 +2336 LEU 37 P 45 U ? GLY 32 P 40 U ? -0.3 ALA 38 P 46 U ? -0.2 ILE 41 P 49 U ? -3.0 THR 36 P 44 U ? -0.2 +2337 ALA 38 P 46 U ? LEU 33 P 41 U ? -2.5 LYS 39 P 47 U ? -0.2 VAL 42 P 50 U ? -2.4 LYS 43 P 51 U ? -0.2 +2338 LYS 39 P 47 U ? PRO 35 P 43 U ? -2.3 ILE 41 P 49 U ? -0.2 LYS 43 P 51 U ? -2.4 ALA 38 P 46 U ? -0.2 +2339 LEU 40 P 48 U ? THR 36 P 44 U ? -1.7 ILE 41 P 49 U ? -0.2 ASN 44 P 52 U ? -2.2 ALA 38 P 46 U ? -0.2 +2340 ILE 41 P 49 U ? LEU 37 P 45 U ? -3.0 VAL 42 P 50 U ? -0.2 ALA 45 P 53 U ? -0.3 LEU 40 P 48 U ? -0.2 +2341 VAL 42 P 50 U ? ALA 38 P 46 U ? -2.4 LYS 43 P 51 U ? -0.2 ALA 45 P 53 U ? -0.9 ILE 41 P 49 U ? -0.2 +2342 LYS 43 P 51 U ? LYS 39 P 47 U ? -2.4 ALA 38 P 46 U ? -0.2 ILE 41 P 49 U ? -0.2 VAL 42 P 50 U ? -0.2 +2343 ASN 44 P 52 U ? LEU 40 P 48 U ? -2.2 LYS 39 P 47 U ? -0.2 LYS 43 P 51 U ? -0.2 VAL 42 P 50 U ? -0.2 +2344 ALA 45 P 53 U ? VAL 42 P 50 U ? -0.9 ILE 41 P 49 U ? -0.3 TYR 47 P 55 U ? -0.1 ASN 20 P 28 U ? -0.1 +2345 PRO 46 P 54 U ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 48 P 56 U ? -0.3 ASN 20 P 28 U ? -0.1 +2346 TYR 47 P 55 U ? THR 77 P 85 U ? -0.2 ALA 45 P 53 U ? -0.1 VAL 50 P 58 U ? -0.1 ASN 20 P 28 U ? -0.1 +2347 GLU 48 P 56 U ? PRO 46 P 54 U ? -0.3 SER 49 P 57 U ? -0.2 VAL 50 P 58 U ? -0.3 TYR 47 P 55 U ? -0.1 +2348 SER 49 P 57 U ? VAL 50 P 58 U ? -0.1 THR 75 P 83 U ? -0.1 ASP 52 P 60 U ? -1.2 VAL 53 P 61 U ? -0.3 +2349 VAL 50 P 58 U ? GLU 48 P 56 U ? -0.3 GLU 51 P 59 U ? -0.3 VAL 53 P 61 U ? -1.8 LEU 54 P 62 U ? -0.2 +2350 GLU 51 P 59 U ? ASP 52 P 60 U ? -0.3 VAL 53 P 61 U ? -0.2 LEU 54 P 62 U ? -1.8 VAL 50 P 58 U ? -0.3 +2351 ASP 52 P 60 U ? SER 49 P 57 U ? -1.2 VAL 53 P 61 U ? -0.3 ASN 55 P 63 U ? -2.1 GLU 51 P 59 U ? -0.3 +2352 VAL 53 P 61 U ? VAL 50 P 58 U ? -1.8 SER 49 P 57 U ? -0.3 ILE 56 P 64 U ? -1.2 ASP 52 P 60 U ? -0.3 +2353 LEU 54 P 62 U ? GLU 51 P 59 U ? -1.8 ASN 55 P 63 U ? -0.2 VAL 53 P 61 U ? -0.3 ASP 52 P 60 U ? -0.2 +2354 ASN 55 P 63 U ? ASP 52 P 60 U ? -2.1 GLU 51 P 59 U ? -0.2 LEU 54 P 62 U ? -0.2 VAL 53 P 61 U ? -0.2 +2355 ILE 56 P 64 U ? VAL 53 P 61 U ? -1.2 PRO 57 P 65 U ? -0.1 LEU 59 P 67 U ? -1.2 ILE 41 P 49 U ? -0.1 +2356 PRO 57 P 65 U ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 56 P 64 U ? -0.1 ASN 55 P 63 U ? -0.1 +2357 GLY 58 P 66 U ? LEU 59 P 67 U ? -0.3 ASN 55 P 63 U ? -0.1 THR 60 P 68 U ? -0.1 ILE 56 P 64 U ? -0.1 +2358 LEU 59 P 67 U ? ILE 56 P 64 U ? -1.2 LEU 54 P 62 U ? -0.1 GLY 58 P 66 U ? -0.3 GLU 61 P 69 U ? -0.1 +2359 THR 60 P 68 U ? GLU 61 P 69 U ? -0.1 GLY 58 P 66 U ? -0.1 LYS 64 P 72 U ? -1.7 GLN 65 P 73 U ? -0.1 +2360 GLU 61 P 69 U ? GLN 63 P 71 U ? -0.2 ARG 62 P 70 U ? -0.2 GLN 65 P 73 U ? -1.5 ILE 66 P 74 U ? -0.1 +2361 ARG 62 P 70 U ? LYS 64 P 72 U ? -0.2 GLN 63 P 71 U ? -0.2 ILE 66 P 74 U ? -2.2 GLU 61 P 69 U ? -0.2 +2362 GLN 63 P 71 U ? LYS 64 P 72 U ? -0.2 GLN 65 P 73 U ? -0.2 LEU 67 P 75 U ? -2.3 ARG 62 P 70 U ? -0.2 +2363 LYS 64 P 72 U ? THR 60 P 68 U ? -1.7 ILE 66 P 74 U ? -0.2 ARG 68 P 76 U ? -2.0 GLN 63 P 71 U ? -0.2 +2364 GLN 65 P 73 U ? GLU 61 P 69 U ? -1.5 LEU 67 P 75 U ? -0.2 GLU 69 P 77 U ? -2.1 GLN 63 P 71 U ? -0.2 +2365 ILE 66 P 74 U ? ARG 62 P 70 U ? -2.2 LEU 67 P 75 U ? -0.2 ASN 70 P 78 U ? -1.0 LYS 64 P 72 U ? -0.2 +2366 LEU 67 P 75 U ? GLN 63 P 71 U ? -2.3 ARG 68 P 76 U ? -0.2 ASN 70 P 78 U ? -0.5 LEU 71 P 79 U ? -0.4 +2367 ARG 68 P 76 U ? LYS 64 P 72 U ? -2.0 GLU 69 P 77 U ? -0.2 LEU 71 P 79 U ? -0.9 GLU 72 P 80 U ? -0.3 +2368 GLU 69 P 77 U ? GLN 65 P 73 U ? -2.1 ASN 70 P 78 U ? -0.2 ARG 68 P 76 U ? -0.2 GLU 72 P 80 U ? -0.2 +2369 ASN 70 P 78 U ? ILE 66 P 74 U ? -1.0 LEU 67 P 75 U ? -0.5 HIS 73 P 81 U ? -1.2 PHE 74 P 82 U ? -0.3 +2370 LEU 71 P 79 U ? ARG 68 P 76 U ? -0.9 LEU 67 P 75 U ? -0.4 PHE 74 P 82 U ? -2.3 ASN 70 P 78 U ? -0.2 +2371 GLU 72 P 80 U ? ARG 68 P 76 U ? -0.3 HIS 73 P 81 U ? -0.3 LEU 71 P 79 U ? -0.3 ASN 70 P 78 U ? -0.1 +2372 HIS 73 P 81 U ? ASN 70 P 78 U ? -1.2 LYS 16 P 24 U ? -0.1 ILE 17 P 25 U ? -1.9 GLU 72 P 80 U ? -0.3 +2373 PHE 74 P 82 U ? LEU 71 P 79 U ? -2.3 ASN 70 P 78 U ? -0.3 VAL 76 P 84 U ? -0.3 ASP 18 P 26 U ? -0.2 +2374 THR 75 P 83 U ? ILE 17 P 25 U ? -1.9 HIS 73 P 81 U ? -0.2 LEU 19 P 27 U ? -2.6 THR 77 P 85 U ? -0.3 +2375 VAL 76 P 84 U ? PHE 74 P 82 U ? -0.3 ASP 18 P 26 U ? -0.2 GLU 78 P 86 U ? -0.3 ALA 12 P 20 U ? -0.1 +2376 THR 77 P 85 U ? THR 75 P 83 U ? -0.3 ALA 12 P 20 U ? -0.1 TYR 47 P 55 U ? -0.2 GLU 80 P 88 U ? -0.1 +2377 GLU 78 P 86 U ? VAL 76 P 84 U ? -0.3 VAL 79 P 87 U ? -0.1 GLU 80 P 88 U ? -0.2 GLU 48 P 56 U ? -0.0 +2378 VAL 79 P 87 U ? GLU 80 P 88 U ? -0.1 THR 81 P 89 U ? -0.0 THR 81 P 89 U ? -0.6 GLU 78 P 86 U ? -0.1 +2379 GLU 80 P 88 U ? ASN 20 P 28 U ? -0.2 GLU 78 P 86 U ? -0.2 LEU 83 P 91 U ? -1.8 VAL 84 P 92 U ? -1.1 +2380 THR 81 P 89 U ? VAL 79 P 87 U ? -0.6 ALA 82 P 90 U ? -0.3 GLU 85 P 93 U ? -2.1 VAL 84 P 92 U ? -0.4 +2381 ALA 82 P 90 U ? LEU 83 P 91 U ? -0.2 VAL 84 P 92 U ? -0.2 ALA 151 M 154 O ? -0.4 THR 81 P 89 U ? -0.3 +2382 LEU 83 P 91 U ? GLU 80 P 88 U ? -1.8 VAL 84 P 92 U ? -0.1 ALA 82 P 90 U ? -0.2 THR 81 P 89 U ? -0.2 +2383 VAL 84 P 92 U ? GLU 80 P 88 U ? -1.1 THR 81 P 89 U ? -0.4 GLY 87 P 95 U ? -0.6 ARG 89 P 97 U ? -0.4 +2384 GLU 85 P 93 U ? THR 81 P 89 U ? -2.1 GLY 86 P 94 U ? -0.2 ASP 88 P 96 U ? -1.8 ALA 151 M 154 O ? -0.1 +2385 GLY 86 P 94 U ? GLY 87 P 95 U ? -0.3 SER 308 C 330 C ? -0.2 GLU 85 P 93 U ? -0.2 LYS 317 C 339 C ? -0.1 +2386 GLY 87 P 95 U ? VAL 84 P 92 U ? -0.6 ALA 309 C 331 C ? -0.1 TYR 90 P 98 U ? -2.0 ASN 91 P 99 U ? -1.1 +2387 ASP 88 P 96 U ? GLU 85 P 93 U ? -1.8 ARG 89 P 97 U ? -0.3 VAL 84 P 92 U ? -0.1 GLY 86 P 94 U ? -0.1 +2388 ARG 89 P 97 U ? VAL 84 P 92 U ? -0.4 TYR 90 P 98 U ? -0.2 ILE 24 P 32 U ? -3.2 ASP 88 P 96 U ? -0.3 +2389 TYR 90 P 98 U ? GLY 87 P 95 U ? -2.0 ASN 91 P 99 U ? -0.3 ASN 92 P 100 U ? -0.3 ASP 88 P 96 U ? -0.2 +2390 ASN 91 P 99 U ? GLY 87 P 95 U ? -1.1 GLY 86 P 94 U ? -0.1 TYR 90 P 98 U ? -0.3 ARG 89 P 97 U ? -0.1 +2391 ASN 92 P 100 U ? LEU 94 P 102 U ? -0.3 TYR 90 P 98 U ? -0.3 ALA 385 B 386 B ? -0.1 ALA 341 D 351 D ? -0.1 +2392 GLY 93 P 101 U ? LEU 94 P 102 U ? -0.2 ASN 328 A 338 A ? -0.2 ALA 341 D 351 D ? -1.7 TYR 95 P 103 U ? -0.6 +2393 LEU 94 P 102 U ? ASN 340 D 350 D ? -0.1 TYR 95 P 103 U ? -0.1 ASN 92 P 100 U ? -0.3 GLY 93 P 101 U ? -0.2 +2394 TYR 95 P 103 U ? GLY 93 P 101 U ? -0.6 ALA 341 D 351 D ? -0.3 LEU 94 P 102 U ? -0.1 LEU 342 D 352 D ? -0.1 +2395 LYS 96 P 104 U ? ALA 341 D 351 D ? -0.2 LEU 94 P 102 U ? -0.1 TYR 95 P 103 U ? -0.3 LYS 134 Q 134 V ? -0.1 +2396 ALA 1 Q 1 V ? SER 51 E 54 E ? -0.2 TYR 52 E 55 E ? -0.2 LYS 300 A 310 A ? -0.5 LEU 3 Q 3 V ? -0.3 +2397 GLU 2 Q 2 V ? ALA 299 A 309 A ? -0.2 LYS 300 A 310 A ? -0.1 THR 4 Q 4 V ? -1.3 LYS 300 A 310 A ? -0.2 +2398 LEU 3 Q 3 V ? ALA 299 A 309 A ? -0.5 ALA 1 Q 1 V ? -0.3 GLU 23 Q 23 V ? -0.1 LYS 300 A 310 A ? -0.1 +2399 THR 4 Q 4 V ? GLU 2 Q 2 V ? -1.3 PRO 5 Q 5 V ? -0.1 LEU 8 Q 8 V ? -1.7 THR 9 Q 9 V ? -0.1 +2400 PRO 5 Q 5 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 9 Q 9 V ? -0.2 LEU 21 Q 21 V ? -0.2 +2401 GLU 6 Q 6 V ? VAL 7 Q 7 V ? -0.2 LEU 8 Q 8 V ? -0.2 THR 9 Q 9 V ? -1.3 LEU 3 Q 3 V ? -0.1 +2402 VAL 7 Q 7 V ? LEU 8 Q 8 V ? -0.3 GLU 2 Q 2 V ? -0.1 GLU 6 Q 6 V ? -0.2 LYS 124 Q 124 V ? -0.1 +2403 LEU 8 Q 8 V ? THR 4 Q 4 V ? -1.7 LEU 21 Q 21 V ? -0.1 LEU 21 Q 21 V ? -2.7 VAL 10 Q 10 V ? -0.6 +2404 THR 9 Q 9 V ? GLU 6 Q 6 V ? -1.3 THR 20 Q 20 V ? -0.2 THR 20 Q 20 V ? -0.2 THR 4 Q 4 V ? -0.0 +2405 VAL 10 Q 10 V ? ILE 19 Q 19 V ? -2.3 LEU 8 Q 8 V ? -0.6 ILE 19 Q 19 V ? -2.2 LEU 12 Q 12 V ? -0.2 +2406 PRO 11 Q 11 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 69 Q 69 V ? -2.0 THR 18 Q 18 V ? -0.3 +2407 LEU 12 Q 12 V ? LYS 17 Q 17 V ? -3.0 ASN 68 Q 68 V ? -0.2 GLU 70 Q 70 V ? -2.5 SER 14 Q 14 V ? -0.2 +2408 ASN 13 Q 13 V ? LYS 17 Q 17 V ? -1.2 ILE 69 Q 69 V ? -0.2 GLY 16 Q 16 V ? -0.9 LEU 12 Q 12 V ? -0.2 +2409 SER 14 Q 14 V ? LEU 12 Q 12 V ? -0.2 GLU 15 Q 15 V ? -0.2 ARG 66 Q 66 V ? -0.0 ASP 67 Q 67 V ? -0.0 +2410 GLU 15 Q 15 V ? LYS 17 Q 17 V ? -0.1 GLY 16 Q 16 V ? -0.1 SER 14 Q 14 V ? -0.2 ? ? ? ? ? ? ? +2411 GLY 16 Q 16 V ? ASN 13 Q 13 V ? -0.9 LYS 17 Q 17 V ? -0.3 SER 14 Q 14 V ? -0.1 THR 18 Q 18 V ? -0.1 +2412 LYS 17 Q 17 V ? PRO 11 Q 11 V ? -0.1 THR 18 Q 18 V ? -0.1 LEU 12 Q 12 V ? -3.0 ASN 13 Q 13 V ? -1.2 +2413 THR 18 Q 18 V ? PRO 11 Q 11 V ? -0.3 LEU 12 Q 12 V ? -0.2 THR 20 Q 20 V ? -0.3 THR 9 Q 9 V ? -0.1 +2414 ILE 19 Q 19 V ? VAL 10 Q 10 V ? -2.2 LYS 17 Q 17 V ? -0.2 VAL 10 Q 10 V ? -2.3 LEU 21 Q 21 V ? -0.6 +2415 THR 20 Q 20 V ? THR 18 Q 18 V ? -0.3 THR 9 Q 9 V ? -0.2 THR 9 Q 9 V ? -0.2 THR 22 Q 22 V ? -0.2 +2416 LEU 21 Q 21 V ? LEU 8 Q 8 V ? -2.7 ILE 19 Q 19 V ? -0.6 GLU 23 Q 23 V ? -0.1 LEU 8 Q 8 V ? -0.1 +2417 THR 22 Q 22 V ? THR 20 Q 20 V ? -0.2 GLU 23 Q 23 V ? -0.1 TYR 26 Q 26 V ? -2.1 LEU 27 Q 27 V ? -0.1 +2418 GLU 23 Q 23 V ? LYS 24 Q 24 V ? -0.2 GLN 25 Q 25 V ? -0.2 LEU 27 Q 27 V ? -2.2 GLU 28 Q 28 V ? -0.2 +2419 LYS 24 Q 24 V ? TYR 26 Q 26 V ? -0.2 GLN 25 Q 25 V ? -0.2 GLU 28 Q 28 V ? -2.1 GLU 23 Q 23 V ? -0.2 +2420 GLN 25 Q 25 V ? LEU 27 Q 27 V ? -0.2 TYR 26 Q 26 V ? -0.2 GLY 29 Q 29 V ? -2.8 GLU 23 Q 23 V ? -0.2 +2421 TYR 26 Q 26 V ? THR 22 Q 22 V ? -2.1 LEU 27 Q 27 V ? -0.2 LYS 30 Q 30 V ? -1.9 LYS 24 Q 24 V ? -0.2 +2422 LEU 27 Q 27 V ? GLU 23 Q 23 V ? -2.2 GLU 28 Q 28 V ? -0.2 ARG 31 Q 31 V ? -1.7 TYR 26 Q 26 V ? -0.2 +2423 GLU 28 Q 28 V ? LYS 24 Q 24 V ? -2.1 LYS 30 Q 30 V ? -0.2 LEU 32 Q 32 V ? -2.4 LEU 27 Q 27 V ? -0.2 +2424 GLY 29 Q 29 V ? GLN 25 Q 25 V ? -2.8 ALA 114 Q 114 V ? -0.2 PHE 33 Q 33 V ? -2.1 LEU 27 Q 27 V ? -0.2 +2425 LYS 30 Q 30 V ? TYR 26 Q 26 V ? -1.9 LEU 32 Q 32 V ? -0.2 GLN 34 Q 34 V ? -1.9 GLY 29 Q 29 V ? -0.2 +2426 ARG 31 Q 31 V ? LEU 27 Q 27 V ? -1.7 PHE 33 Q 33 V ? -0.2 TYR 35 Q 35 V ? -1.9 GLY 29 Q 29 V ? -0.2 +2427 LEU 32 Q 32 V ? GLU 28 Q 28 V ? -2.4 GLN 34 Q 34 V ? -0.2 ALA 36 Q 36 V ? -2.5 CYS 37 Q 37 V ? -0.3 +2428 PHE 33 Q 33 V ? GLY 29 Q 29 V ? -2.1 TYR 35 Q 35 V ? -0.2 CYS 37 Q 37 V ? -2.1 ALA 38 Q 38 V ? -2.1 +2429 GLN 34 Q 34 V ? LYS 30 Q 30 V ? -1.9 CYS 37 Q 37 V ? -0.2 SER 39 Q 39 V ? -0.3 LEU 32 Q 32 V ? -0.2 +2430 TYR 35 Q 35 V ? ARG 31 Q 31 V ? -1.9 ALA 36 Q 36 V ? -0.1 PHE 33 Q 33 V ? -0.2 GLN 34 Q 34 V ? -0.2 +2431 ALA 36 Q 36 V ? LEU 32 Q 32 V ? -2.5 ARG 31 Q 31 V ? -0.1 PHE 33 Q 33 V ? -0.2 GLN 34 Q 34 V ? -0.2 +2432 CYS 37 Q 37 V ? PHE 33 Q 33 V ? -2.1 LEU 32 Q 32 V ? -0.3 HIS 41 Q 41 V ? -2.5 CYS 40 Q 40 V ? -1.4 +2433 ALA 38 Q 38 V ? PHE 33 Q 33 V ? -2.1 SER 39 Q 39 V ? -0.3 VAL 42 Q 42 V ? -2.0 VAL 395 C 417 C ? -0.1 +2434 SER 39 Q 39 V ? GLN 34 Q 34 V ? -0.3 CYS 40 Q 40 V ? -0.2 ALA 38 Q 38 V ? -0.3 CYS 37 Q 37 V ? -0.1 +2435 CYS 40 Q 40 V ? CYS 37 Q 37 V ? -1.4 LYS 47 Q 47 V ? -0.1 LYS 47 Q 47 V ? -2.6 ALA 38 Q 38 V ? -0.2 +2436 HIS 41 Q 41 V ? CYS 37 Q 37 V ? -2.5 THR 46 Q 46 V ? -0.2 GLY 44 Q 44 V ? -2.6 ALA 38 Q 38 V ? -0.2 +2437 VAL 42 Q 42 V ? ALA 38 Q 38 V ? -2.0 GLY 43 Q 43 V ? -0.3 ILE 45 Q 45 V ? -1.2 GLY 131 Q 131 V ? -0.1 +2438 GLY 43 Q 43 V ? GLY 44 Q 44 V ? -0.2 ASN 393 C 415 C ? -0.1 GLY 131 Q 131 V ? -3.2 GLY 132 Q 132 V ? -0.4 +2439 GLY 44 Q 44 V ? HIS 41 Q 41 V ? -2.6 ILE 45 Q 45 V ? -0.3 LEU 54 Q 54 V ? -3.0 GLY 43 Q 43 V ? -0.2 +2440 ILE 45 Q 45 V ? VAL 42 Q 42 V ? -1.2 ASP 53 Q 53 V ? -0.2 LYS 47 Q 47 V ? -0.3 GLY 44 Q 44 V ? -0.3 +2441 THR 46 Q 46 V ? LYS 47 Q 47 V ? -0.1 GLY 131 Q 131 V ? -0.1 ASN 49 Q 49 V ? -0.9 HIS 41 Q 41 V ? -0.2 +2442 LYS 47 Q 47 V ? CYS 40 Q 40 V ? -2.6 ILE 45 Q 45 V ? -0.3 THR 46 Q 46 V ? -0.1 HIS 41 Q 41 V ? -0.1 +2443 THR 48 Q 48 V ? ASN 49 Q 49 V ? -0.3 CYS 40 Q 40 V ? -0.1 LYS 47 Q 47 V ? -0.2 ARG 298 C 320 C ? -0.1 +2444 ASN 49 Q 49 V ? THR 46 Q 46 V ? -0.9 CYS 40 Q 40 V ? -0.2 LEU 52 Q 52 V ? -2.1 THR 48 Q 48 V ? -0.3 +2445 PRO 50 Q 50 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 47 Q 47 V ? -0.1 THR 46 Q 46 V ? -0.1 +2446 SER 51 Q 51 V ? LEU 52 Q 52 V ? -0.1 ILE 45 Q 45 V ? -0.1 ASP 53 Q 53 V ? -0.5 ILE 28 P 36 U ? -0.0 +2447 LEU 52 Q 52 V ? ASN 49 Q 49 V ? -2.1 THR 46 Q 46 V ? -0.2 LEU 54 Q 54 V ? -0.2 ASN 49 Q 49 V ? -0.2 +2448 ASP 53 Q 53 V ? SER 51 Q 51 V ? -0.5 ILE 45 Q 45 V ? -0.1 ILE 45 Q 45 V ? -0.2 GLY 44 Q 44 V ? -0.1 +2449 LEU 54 Q 54 V ? GLY 44 Q 44 V ? -3.0 LEU 52 Q 52 V ? -0.2 THR 56 Q 56 V ? -0.1 ILE 45 Q 45 V ? -0.1 +2450 ARG 55 Q 55 V ? GLY 44 Q 44 V ? -0.2 GLY 131 Q 131 V ? -0.1 LEU 59 Q 59 V ? -2.5 THR 58 Q 58 V ? -0.2 +2451 THR 56 Q 56 V ? GLU 57 Q 57 V ? -0.2 THR 58 Q 58 V ? -0.2 ALA 60 Q 60 V ? -2.0 ARG 66 Q 66 V ? -0.1 +2452 GLU 57 Q 57 V ? THR 58 Q 58 V ? -0.2 LEU 59 Q 59 V ? -0.2 LEU 61 Q 61 V ? -1.0 THR 56 Q 56 V ? -0.2 +2453 THR 58 Q 58 V ? ARG 55 Q 55 V ? -0.2 LEU 59 Q 59 V ? -0.2 LEU 61 Q 61 V ? -0.4 ALA 62 Q 62 V ? -0.3 +2454 LEU 59 Q 59 V ? ARG 55 Q 55 V ? -2.5 ALA 60 Q 60 V ? -0.2 ARG 66 Q 66 V ? -3.0 ALA 62 Q 62 V ? -0.8 +2455 ALA 60 Q 60 V ? THR 56 Q 56 V ? -2.0 ARG 66 Q 66 V ? -0.2 LEU 59 Q 59 V ? -0.2 THR 58 Q 58 V ? -0.2 +2456 LEU 61 Q 61 V ? GLU 57 Q 57 V ? -1.0 THR 58 Q 58 V ? -0.4 GLY 32 P 40 U ? -0.5 ALA 60 Q 60 V ? -0.2 +2457 ALA 62 Q 62 V ? LEU 59 Q 59 V ? -0.8 THR 58 Q 58 V ? -0.3 ASP 83 Q 83 V ? -0.2 ASP 67 Q 67 V ? -0.1 +2458 THR 63 Q 63 V ? TYR 82 Q 82 V ? -2.0 THR 81 Q 81 V ? -0.3 GLY 84 Q 84 V ? -0.1 LEU 61 Q 61 V ? -0.1 +2459 PRO 64 Q 64 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 63 Q 63 V ? -0.2 THR 80 Q 80 V ? -0.1 +2460 PRO 65 Q 65 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 60 Q 60 V ? -0.2 THR 63 Q 63 V ? -0.1 +2461 ARG 66 Q 66 V ? LEU 59 Q 59 V ? -3.0 THR 56 Q 56 V ? -0.1 ASN 68 Q 68 V ? -0.4 ALA 60 Q 60 V ? -0.2 +2462 ASP 67 Q 67 V ? LEU 59 Q 59 V ? -0.5 ALA 62 Q 62 V ? -0.1 ILE 69 Q 69 V ? -0.3 ARG 66 Q 66 V ? -0.1 +2463 ASN 68 Q 68 V ? ARG 66 Q 66 V ? -0.4 LEU 12 Q 12 V ? -0.1 LEU 72 Q 72 V ? -1.8 LEU 12 Q 12 V ? -0.2 +2464 ILE 69 Q 69 V ? PRO 11 Q 11 V ? -2.0 ASP 67 Q 67 V ? -0.3 VAL 73 Q 73 V ? -2.7 ASP 74 Q 74 V ? -0.2 +2465 GLU 70 Q 70 V ? LEU 12 Q 12 V ? -2.5 GLY 71 Q 71 V ? -0.2 ASP 74 Q 74 V ? -2.1 ILE 69 Q 69 V ? -0.2 +2466 GLY 71 Q 71 V ? LEU 12 Q 12 V ? -0.2 VAL 73 Q 73 V ? -0.2 TYR 75 Q 75 V ? -1.7 GLU 70 Q 70 V ? -0.2 +2467 LEU 72 Q 72 V ? ASN 68 Q 68 V ? -1.8 ASP 74 Q 74 V ? -0.2 MET 76 Q 76 V ? -1.5 GLU 70 Q 70 V ? -0.2 +2468 VAL 73 Q 73 V ? ILE 69 Q 69 V ? -2.7 TYR 75 Q 75 V ? -0.2 LYS 77 Q 77 V ? -0.5 GLY 71 Q 71 V ? -0.2 +2469 ASP 74 Q 74 V ? GLU 70 Q 70 V ? -2.1 ILE 69 Q 69 V ? -0.2 ASN 78 Q 78 V ? -3.3 LYS 77 Q 77 V ? -1.0 +2470 TYR 75 Q 75 V ? GLY 71 Q 71 V ? -1.7 MET 76 Q 76 V ? -0.3 ASP 74 Q 74 V ? -0.2 VAL 73 Q 73 V ? -0.2 +2471 MET 76 Q 76 V ? LEU 72 Q 72 V ? -1.5 ASN 78 Q 78 V ? -0.2 LEU 95 Q 95 V ? -1.8 TYR 75 Q 75 V ? -0.3 +2472 LYS 77 Q 77 V ? ASP 74 Q 74 V ? -1.0 VAL 73 Q 73 V ? -0.5 ARG 96 Q 96 V ? -1.1 TYR 75 Q 75 V ? -0.2 +2473 ASN 78 Q 78 V ? ASP 74 Q 74 V ? -3.3 LEU 95 Q 95 V ? -0.1 MET 76 Q 76 V ? -0.2 LYS 77 Q 77 V ? -0.1 +2474 PRO 79 Q 79 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 88 Q 88 V ? -2.1 ALA 89 Q 89 V ? -0.5 +2475 THR 80 Q 80 V ? GLU 87 Q 87 V ? -0.2 ILE 88 Q 88 V ? -0.1 GLU 87 Q 87 V ? -0.2 GLU 85 Q 85 V ? -0.0 +2476 THR 81 Q 81 V ? GLN 86 Q 86 V ? -1.9 PRO 79 Q 79 V ? -0.3 GLY 84 Q 84 V ? -1.9 THR 63 Q 63 V ? -0.3 +2477 TYR 82 Q 82 V ? ASP 83 Q 83 V ? -0.3 GLY 84 Q 84 V ? -0.1 THR 63 Q 63 V ? -2.0 GLY 32 P 40 U ? -0.3 +2478 ASP 83 Q 83 V ? ALA 62 Q 62 V ? -0.2 GLY 32 P 40 U ? -0.1 TYR 82 Q 82 V ? -0.3 ALA 62 Q 62 V ? -0.0 +2479 GLY 84 Q 84 V ? THR 81 Q 81 V ? -1.9 GLN 86 Q 86 V ? -0.2 TYR 82 Q 82 V ? -0.1 ALA 62 Q 62 V ? -0.0 +2480 GLU 85 Q 85 V ? GLN 86 Q 86 V ? -0.1 THR 80 Q 80 V ? -0.0 GLU 87 Q 87 V ? -0.3 GLY 84 Q 84 V ? -0.1 +2481 GLN 86 Q 86 V ? ILE 88 Q 88 V ? -0.0 THR 81 Q 81 V ? -0.0 THR 81 Q 81 V ? -1.9 ILE 88 Q 88 V ? -0.4 +2482 GLU 87 Q 87 V ? GLU 85 Q 85 V ? -0.3 THR 80 Q 80 V ? -0.2 THR 80 Q 80 V ? -0.2 GLU 90 Q 90 V ? -0.2 +2483 ILE 88 Q 88 V ? PRO 79 Q 79 V ? -2.1 GLN 86 Q 86 V ? -0.4 VAL 91 Q 91 V ? -2.4 HIS 92 Q 92 V ? -1.3 +2484 ALA 89 Q 89 V ? PRO 79 Q 79 V ? -0.5 GLU 90 Q 90 V ? -0.3 SER 94 Q 94 V ? -0.2 ILE 88 Q 88 V ? -0.1 +2485 GLU 90 Q 90 V ? VAL 91 Q 91 V ? -0.2 GLU 87 Q 87 V ? -0.2 ALA 89 Q 89 V ? -0.3 ARG 368 C 390 C ? -0.1 +2486 VAL 91 Q 91 V ? ILE 88 Q 88 V ? -2.4 HIS 92 Q 92 V ? -0.1 ALA 89 Q 89 V ? -0.2 GLU 90 Q 90 V ? -0.2 +2487 HIS 92 Q 92 V ? ILE 88 Q 88 V ? -1.3 PRO 79 Q 79 V ? -0.1 VAL 91 Q 91 V ? -0.1 SER 97 Q 97 V ? -0.1 +2488 PRO 93 Q 93 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 95 Q 95 V ? -0.3 ALA 98 Q 98 V ? -0.1 +2489 SER 94 Q 94 V ? ALA 89 Q 89 V ? -0.2 PHE 101 Q 101 V ? -0.1 LYS 77 Q 77 V ? -0.2 PHE 101 Q 101 V ? -0.2 +2490 LEU 95 Q 95 V ? MET 76 Q 76 V ? -1.8 PRO 93 Q 93 V ? -0.3 ALA 98 Q 98 V ? -1.2 LYS 77 Q 77 V ? -0.2 +2491 ARG 96 Q 96 V ? LYS 77 Q 77 V ? -1.1 SER 97 Q 97 V ? -0.3 LEU 95 Q 95 V ? -0.2 ASP 99 Q 99 V ? -0.2 +2492 SER 97 Q 97 V ? ALA 98 Q 98 V ? -0.1 SER 94 Q 94 V ? -0.1 PHE 101 Q 101 V ? -1.4 ILE 100 Q 100 V ? -0.6 +2493 ALA 98 Q 98 V ? LEU 95 Q 95 V ? -1.2 ASP 99 Q 99 V ? -0.2 ARG 105 Q 105 V ? -0.3 MET 104 Q 104 V ? -0.1 +2494 ASP 99 Q 99 V ? ARG 96 Q 96 V ? -0.2 ILE 100 Q 100 V ? -0.2 ALA 98 Q 98 V ? -0.2 SER 97 Q 97 V ? -0.1 +2495 ILE 100 Q 100 V ? SER 97 Q 97 V ? -0.6 PHE 101 Q 101 V ? -0.2 ALA 98 Q 98 V ? -0.2 ASP 99 Q 99 V ? -0.2 +2496 PHE 101 Q 101 V ? SER 97 Q 97 V ? -1.4 SER 94 Q 94 V ? -0.2 MET 104 Q 104 V ? -2.0 ARG 105 Q 105 V ? -0.2 +2497 PRO 102 Q 102 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 105 Q 105 V ? -1.9 ASN 106 Q 106 V ? -0.4 +2498 LYS 103 Q 103 V ? MET 104 Q 104 V ? -0.3 ARG 105 Q 105 V ? -0.2 ASN 106 Q 106 V ? -0.3 LYS 57 C 79 C ? -0.1 +2499 MET 104 Q 104 V ? PHE 101 Q 101 V ? -2.0 ARG 105 Q 105 V ? -0.2 LEU 107 Q 107 V ? -1.2 LYS 103 Q 103 V ? -0.3 +2500 ARG 105 Q 105 V ? PRO 102 Q 102 V ? -1.9 ALA 98 Q 98 V ? -0.3 MET 104 Q 104 V ? -0.2 LYS 103 Q 103 V ? -0.2 +2501 ASN 106 Q 106 V ? PRO 102 Q 102 V ? -0.4 LYS 103 Q 103 V ? -0.3 THR 108 Q 108 V ? -0.5 ARG 105 Q 105 V ? -0.3 +2502 LEU 107 Q 107 V ? MET 104 Q 104 V ? -1.2 ASP 111 Q 111 V ? -0.0 GLU 109 Q 109 V ? -0.2 MET 104 Q 104 V ? -0.0 +2503 THR 108 Q 108 V ? ASN 106 Q 106 V ? -0.5 GLU 109 Q 109 V ? -0.1 LEU 112 Q 112 V ? -1.6 ASP 111 Q 111 V ? -0.3 +2504 GLU 109 Q 109 V ? LYS 110 Q 110 V ? -0.2 ASP 111 Q 111 V ? -0.2 VAL 113 Q 113 V ? -1.5 ALA 114 Q 114 V ? -0.1 +2505 LYS 110 Q 110 V ? ASP 111 Q 111 V ? -0.2 LEU 112 Q 112 V ? -0.2 ALA 114 Q 114 V ? -1.8 GLU 109 Q 109 V ? -0.2 +2506 ASP 111 Q 111 V ? THR 108 Q 108 V ? -0.3 VAL 113 Q 113 V ? -0.2 ILE 115 Q 115 V ? -2.4 LYS 110 Q 110 V ? -0.2 +2507 LEU 112 Q 112 V ? THR 108 Q 108 V ? -1.6 ALA 114 Q 114 V ? -0.2 ALA 116 Q 116 V ? -2.6 ASP 111 Q 111 V ? -0.2 +2508 VAL 113 Q 113 V ? GLU 109 Q 109 V ? -1.5 ILE 115 Q 115 V ? -0.2 GLY 117 Q 117 V ? -2.7 LEU 112 Q 112 V ? -0.2 +2509 ALA 114 Q 114 V ? LYS 110 Q 110 V ? -1.8 ALA 116 Q 116 V ? -0.2 HIS 118 Q 118 V ? -2.2 GLY 29 Q 29 V ? -0.2 +2510 ILE 115 Q 115 V ? ASP 111 Q 111 V ? -2.4 ALA 116 Q 116 V ? -0.2 ILE 119 Q 119 V ? -1.9 ALA 114 Q 114 V ? -0.2 +2511 ALA 116 Q 116 V ? LEU 112 Q 112 V ? -2.6 GLY 117 Q 117 V ? -0.2 LEU 120 Q 120 V ? -1.6 ILE 115 Q 115 V ? -0.2 +2512 GLY 117 Q 117 V ? VAL 113 Q 113 V ? -2.7 HIS 118 Q 118 V ? -0.2 VAL 121 Q 121 V ? -2.1 ILE 115 Q 115 V ? -0.2 +2513 HIS 118 Q 118 V ? ALA 114 Q 114 V ? -2.2 ILE 119 Q 119 V ? -0.2 GLU 122 Q 122 V ? -2.5 GLY 117 Q 117 V ? -0.2 +2514 ILE 119 Q 119 V ? ILE 115 Q 115 V ? -1.9 LEU 120 Q 120 V ? -0.2 HIS 118 Q 118 V ? -0.2 GLY 117 Q 117 V ? -0.2 +2515 LEU 120 Q 120 V ? ALA 116 Q 116 V ? -1.6 ILE 115 Q 115 V ? -0.1 LYS 124 Q 124 V ? -0.3 ILE 119 Q 119 V ? -0.2 +2516 VAL 121 Q 121 V ? GLY 117 Q 117 V ? -2.1 ALA 116 Q 116 V ? -0.2 LYS 124 Q 124 V ? -1.2 ILE 125 Q 125 V ? -1.0 +2517 GLU 122 Q 122 V ? HIS 118 Q 118 V ? -2.5 PRO 123 Q 123 V ? -0.3 LEU 126 Q 126 V ? -3.0 ILE 125 Q 125 V ? -0.6 +2518 PRO 123 Q 123 V ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 127 Q 127 V ? -2.0 GLU 122 Q 122 V ? -0.3 +2519 LYS 124 Q 124 V ? VAL 121 Q 121 V ? -1.2 LEU 120 Q 120 V ? -0.3 GLU 122 Q 122 V ? -0.2 VAL 121 Q 121 V ? -0.1 +2520 ILE 125 Q 125 V ? VAL 121 Q 121 V ? -1.0 GLU 122 Q 122 V ? -0.6 LYS 124 Q 124 V ? -0.1 GLU 122 Q 122 V ? -0.1 +2521 LEU 126 Q 126 V ? GLU 122 Q 122 V ? -3.0 GLY 127 Q 127 V ? -0.2 LYS 129 Q 129 V ? -1.6 LYS 124 Q 124 V ? -0.2 +2522 GLY 127 Q 127 V ? PRO 123 Q 123 V ? -2.0 GLU 122 Q 122 V ? -0.3 TRP 130 Q 130 V ? -1.4 LEU 126 Q 126 V ? -0.2 +2523 ASP 128 Q 128 V ? LYS 129 Q 129 V ? -0.3 LEU 126 Q 126 V ? -0.1 GLY 127 Q 127 V ? -0.3 GLY 132 Q 132 V ? -0.2 +2524 LYS 129 Q 129 V ? LEU 126 Q 126 V ? -1.6 GLY 131 Q 131 V ? -0.1 GLY 132 Q 132 V ? -1.2 GLY 133 Q 133 V ? -0.6 +2525 TRP 130 Q 130 V ? GLY 127 Q 127 V ? -1.4 GLY 131 Q 131 V ? -0.3 GLY 44 Q 44 V ? -0.2 GLY 43 Q 43 V ? -0.1 +2526 GLY 131 Q 131 V ? GLY 43 Q 43 V ? -3.2 LYS 129 Q 129 V ? -0.5 TRP 130 Q 130 V ? -0.3 GLY 44 Q 44 V ? -0.2 +2527 GLY 132 Q 132 V ? LYS 129 Q 129 V ? -1.2 GLY 43 Q 43 V ? -0.4 VAL 135 Q 135 V ? -0.5 TRP 130 Q 130 V ? -0.1 +2528 GLY 133 Q 133 V ? LYS 129 Q 129 V ? -0.6 GLY 43 Q 43 V ? -0.3 TYR 136 Q 136 V ? -1.7 GLY 132 Q 132 V ? -0.2 +2529 LYS 134 Q 134 V ? VAL 135 Q 135 V ? -0.3 TYR 136 Q 136 V ? -0.2 TYR 137 Q 137 V ? -1.5 GLY 133 Q 133 V ? -0.2 +2530 VAL 135 Q 135 V ? GLY 132 Q 132 V ? -0.5 TYR 136 Q 136 V ? -0.3 LYS 134 Q 134 V ? -0.3 GLY 133 Q 133 V ? -0.1 +2531 TYR 136 Q 136 V ? GLY 133 Q 133 V ? -1.7 TYR 137 Q 137 V ? -0.2 VAL 135 Q 135 V ? -0.3 LYS 134 Q 134 V ? -0.2 +2532 TYR 137 Q 137 V ? LYS 134 Q 134 V ? -1.5 GLY 133 Q 133 V ? -0.1 TYR 136 Q 136 V ? -0.2 VAL 135 Q 135 V ? -0.1 +2533 THR 1 R 2 X ? ILE 2 R 3 X ? -0.1 ASP 55 G 56 H ? -0.1 THR 3 R 4 X ? -1.1 ASP 55 G 56 H ? -0.3 +2534 ILE 2 R 3 X ? LEU 54 G 55 H ? -0.1 LEU 6 R 7 X ? -0.1 THR 1 R 2 X ? -0.1 LEU 54 G 55 H ? -0.1 +2535 THR 3 R 4 X ? THR 1 R 2 X ? -1.1 ILE 53 G 54 H ? -0.1 LYS 7 R 8 X ? -2.1 LEU 6 R 7 X ? -0.4 +2536 PRO 4 R 5 X ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 8 R 9 X ? -2.3 THR 3 R 4 X ? -0.1 +2537 SER 5 R 6 X ? ILE 53 G 54 H ? -0.3 LYS 7 R 8 X ? -0.2 PHE 9 R 10 X ? -2.5 PHE 10 R 11 X ? -0.1 +2538 LEU 6 R 7 X ? THR 3 R 4 X ? -0.4 ILE 53 G 54 H ? -0.4 PHE 10 R 11 X ? -2.0 SER 5 R 6 X ? -0.2 +2539 LYS 7 R 8 X ? THR 3 R 4 X ? -2.1 PHE 9 R 10 X ? -0.2 ILE 11 R 12 X ? -2.3 SER 5 R 6 X ? -0.2 +2540 GLY 8 R 9 X ? PRO 4 R 5 X ? -2.3 PHE 9 R 10 X ? -0.2 GLY 12 R 13 X ? -2.3 LEU 6 R 7 X ? -0.2 +2541 PHE 9 R 10 X ? SER 5 R 6 X ? -2.5 PHE 10 R 11 X ? -0.2 LEU 13 R 14 X ? -2.1 GLY 8 R 9 X ? -0.2 +2542 PHE 10 R 11 X ? LEU 6 R 7 X ? -2.0 GLY 12 R 13 X ? -0.2 LEU 14 R 15 X ? -3.0 SER 15 R 16 X ? -0.2 +2543 ILE 11 R 12 X ? LYS 7 R 8 X ? -2.3 LEU 13 R 14 X ? -0.2 SER 15 R 16 X ? -2.7 PHE 9 R 10 X ? -0.2 +2544 GLY 12 R 13 X ? GLY 8 R 9 X ? -2.3 LYS 7 R 8 X ? -0.2 GLY 16 R 17 X ? -2.5 PHE 10 R 11 X ? -0.2 +2545 LEU 13 R 14 X ? PHE 9 R 10 X ? -2.1 LEU 14 R 15 X ? -0.2 ALA 17 R 18 X ? -2.2 ILE 11 R 12 X ? -0.2 +2546 LEU 14 R 15 X ? PHE 10 R 11 X ? -3.0 GLY 16 R 17 X ? -0.2 VAL 18 R 19 X ? -2.5 LEU 13 R 14 X ? -0.2 +2547 SER 15 R 16 X ? ILE 11 R 12 X ? -2.7 PHE 10 R 11 X ? -0.2 VAL 19 R 20 X ? -2.5 LEU 13 R 14 X ? -0.2 +2548 GLY 16 R 17 X ? GLY 12 R 13 X ? -2.5 VAL 18 R 19 X ? -0.2 LEU 20 R 21 X ? -2.9 GLY 21 R 22 X ? -0.2 +2549 ALA 17 R 18 X ? LEU 13 R 14 X ? -2.2 VAL 19 R 20 X ? -0.2 GLY 21 R 22 X ? -3.4 SER 15 R 16 X ? -0.2 +2550 VAL 18 R 19 X ? LEU 14 R 15 X ? -2.5 LEU 20 R 21 X ? -0.2 LEU 22 R 23 X ? -2.6 THR 23 R 24 X ? -0.3 +2551 VAL 19 R 20 X ? SER 15 R 16 X ? -2.5 GLY 21 R 22 X ? -0.2 THR 23 R 24 X ? -2.1 ALA 17 R 18 X ? -0.2 +2552 LEU 20 R 21 X ? GLY 16 R 17 X ? -2.9 LEU 22 R 23 X ? -0.2 PHE 24 R 25 X ? -2.6 ALA 25 R 26 X ? -0.2 +2553 GLY 21 R 22 X ? ALA 17 R 18 X ? -3.4 GLY 16 R 17 X ? -0.2 ALA 25 R 26 X ? -3.0 VAL 19 R 20 X ? -0.2 +2554 LEU 22 R 23 X ? VAL 18 R 19 X ? -2.6 PHE 24 R 25 X ? -0.2 VAL 26 R 27 X ? -3.2 LEU 27 R 28 X ? -0.3 +2555 THR 23 R 24 X ? VAL 19 R 20 X ? -2.1 VAL 18 R 19 X ? -0.3 LEU 27 R 28 X ? -2.6 GLY 21 R 22 X ? -0.2 +2556 PHE 24 R 25 X ? LEU 20 R 21 X ? -2.6 ALA 25 R 26 X ? -0.2 ILE 28 R 29 X ? -2.8 ALA 29 R 30 X ? -0.2 +2557 ALA 25 R 26 X ? GLY 21 R 22 X ? -3.0 LEU 20 R 21 X ? -0.2 ALA 29 R 30 X ? -2.4 PHE 24 R 25 X ? -0.2 +2558 VAL 26 R 27 X ? LEU 22 R 23 X ? -3.2 LEU 27 R 28 X ? -0.2 ILE 30 R 31 X ? -2.7 SER 31 R 32 X ? -0.2 +2559 LEU 27 R 28 X ? THR 23 R 24 X ? -2.6 LEU 22 R 23 X ? -0.3 SER 31 R 32 X ? -2.6 VAL 26 R 27 X ? -0.2 +2560 ILE 28 R 29 X ? PHE 24 R 25 X ? -2.8 ILE 30 R 31 X ? -0.2 GLN 32 R 33 X ? -1.7 LEU 27 R 28 X ? -0.2 +2561 ALA 29 R 30 X ? ALA 25 R 26 X ? -2.4 PHE 24 R 25 X ? -0.2 ILE 33 R 34 X ? -1.7 GLN 32 R 33 X ? -0.3 +2562 ILE 30 R 31 X ? VAL 26 R 27 X ? -2.7 SER 31 R 32 X ? -0.2 ASP 34 R 35 X ? -2.8 ALA 29 R 30 X ? -0.2 +2563 SER 31 R 32 X ? LEU 27 R 28 X ? -2.6 GLN 32 R 33 X ? -0.2 ILE 30 R 31 X ? -0.2 ALA 29 R 30 X ? -0.2 +2564 GLN 32 R 33 X ? ILE 28 R 29 X ? -1.7 ALA 29 R 30 X ? -0.3 LYS 35 R 36 X ? -0.4 SER 31 R 32 X ? -0.2 +2565 ILE 33 R 34 X ? ALA 29 R 30 X ? -1.7 ASP 34 R 35 X ? -0.2 LYS 35 R 36 X ? -1.1 SER 31 R 32 X ? -0.2 +2566 ASP 34 R 35 X ? ILE 30 R 31 X ? -2.8 ALA 29 R 30 X ? -0.1 ILE 33 R 34 X ? -0.2 GLN 32 R 33 X ? -0.1 +2567 LYS 35 R 36 X ? ILE 33 R 34 X ? -1.1 GLN 32 R 33 X ? -0.4 GLN 37 R 38 X ? -0.3 GLN 32 R 33 X ? -0.1 +2568 VAL 36 R 37 X ? SER 31 R 32 X ? -0.1 ILE 7 D 17 D ? -0.1 ARG 38 R 39 X ? -0.3 LYS 35 R 36 X ? -0.1 +2569 GLN 37 R 38 X ? LYS 35 R 36 X ? -0.3 THR 503 B 504 B ? -0.1 GLN 496 B 497 B ? -0.2 VAL 36 R 37 X ? -0.0 +2570 ARG 38 R 39 X ? VAL 36 R 37 X ? -0.3 THR 503 B 504 B ? -0.1 GLN 37 R 38 X ? -0.1 ARG 504 B 505 B ? -0.1 +2571 VAL 1 S 18 Y ? ALA 3 S 20 Y ? -0.2 GLN 4 S 21 Y ? -0.2 LEU 5 S 22 Y ? -1.5 THR 6 S 23 Y ? -0.1 +2572 ILE 2 S 19 Y ? GLN 4 S 21 Y ? -0.2 ALA 3 S 20 Y ? -0.1 THR 6 S 23 Y ? -2.0 VAL 1 S 18 Y ? -0.2 +2573 ALA 3 S 20 Y ? LEU 5 S 22 Y ? -0.2 GLN 4 S 21 Y ? -0.2 MET 7 S 24 Y ? -2.8 VAL 1 S 18 Y ? -0.2 +2574 GLN 4 S 21 Y ? LEU 5 S 22 Y ? -0.2 THR 6 S 23 Y ? -0.2 ILE 8 S 25 Y ? -2.4 ALA 9 S 26 Y ? -0.2 +2575 LEU 5 S 22 Y ? VAL 1 S 18 Y ? -1.5 THR 6 S 23 Y ? -0.2 ALA 9 S 26 Y ? -1.2 GLN 4 S 21 Y ? -0.2 +2576 THR 6 S 23 Y ? ILE 2 S 19 Y ? -2.0 ILE 8 S 25 Y ? -0.2 MET 10 S 27 Y ? -2.3 GLN 4 S 21 Y ? -0.2 +2577 MET 7 S 24 Y ? ALA 3 S 20 Y ? -2.8 ILE 8 S 25 Y ? -0.2 ILE 11 S 28 Y ? -2.9 GLY 12 S 29 Y ? -0.3 +2578 ILE 8 S 25 Y ? GLN 4 S 21 Y ? -2.4 ALA 9 S 26 Y ? -0.2 GLY 12 S 29 Y ? -3.0 MET 7 S 24 Y ? -0.2 +2579 ALA 9 S 26 Y ? LEU 5 S 22 Y ? -1.2 ILE 11 S 28 Y ? -0.2 ILE 13 S 30 Y ? -1.4 ILE 8 S 25 Y ? -0.2 +2580 MET 10 S 27 Y ? THR 6 S 23 Y ? -2.3 GLY 12 S 29 Y ? -0.2 ALA 14 S 31 Y ? -1.2 ILE 8 S 25 Y ? -0.2 +2581 ILE 11 S 28 Y ? MET 7 S 24 Y ? -2.9 GLY 12 S 29 Y ? -0.2 GLY 15 S 32 Y ? -0.7 ALA 9 S 26 Y ? -0.2 +2582 GLY 12 S 29 Y ? ILE 8 S 25 Y ? -3.0 MET 7 S 24 Y ? -0.3 MET 10 S 27 Y ? -0.2 ILE 11 S 28 Y ? -0.2 +2583 ILE 13 S 30 Y ? ALA 9 S 26 Y ? -1.4 ALA 14 S 31 Y ? -0.2 MET 17 S 34 Y ? -2.4 GLY 12 S 29 Y ? -0.2 +2584 ALA 14 S 31 Y ? MET 10 S 27 Y ? -1.2 GLY 15 S 32 Y ? -0.2 ILE 18 S 35 Y ? -1.6 GLY 12 S 29 Y ? -0.2 +2585 GLY 15 S 32 Y ? ILE 11 S 28 Y ? -0.7 MET 17 S 34 Y ? -0.2 ILE 19 S 36 Y ? -1.5 ILE 18 S 35 Y ? -0.6 +2586 PRO 16 S 33 Y ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 20 S 37 Y ? -2.8 GLY 15 S 32 Y ? -0.2 +2587 MET 17 S 34 Y ? ILE 13 S 30 Y ? -2.4 ILE 19 S 36 Y ? -0.2 LEU 21 S 38 Y ? -2.7 GLY 15 S 32 Y ? -0.2 +2588 ILE 18 S 35 Y ? ALA 14 S 31 Y ? -1.6 GLY 15 S 32 Y ? -0.6 LEU 22 S 39 Y ? -2.0 MET 17 S 34 Y ? -0.2 +2589 ILE 19 S 36 Y ? GLY 15 S 32 Y ? -1.5 PHE 20 S 37 Y ? -0.2 ALA 23 S 40 Y ? -2.1 MET 17 S 34 Y ? -0.2 +2590 PHE 20 S 37 Y ? PRO 16 S 33 Y ? -2.8 LEU 22 S 39 Y ? -0.2 VAL 24 S 41 Y ? -2.5 ILE 19 S 36 Y ? -0.2 +2591 LEU 21 S 38 Y ? MET 17 S 34 Y ? -2.7 LEU 22 S 39 Y ? -0.2 ARG 25 S 42 Y ? -2.0 PHE 20 S 37 Y ? -0.2 +2592 LEU 22 S 39 Y ? ILE 18 S 35 Y ? -2.0 VAL 24 S 41 Y ? -0.2 GLY 27 S 44 Y ? -3.4 PHE 20 S 37 Y ? -0.2 +2593 ALA 23 S 40 Y ? ILE 19 S 36 Y ? -2.1 ARG 26 S 43 Y ? -0.2 ARG 26 S 43 Y ? -1.0 LEU 21 S 38 Y ? -0.2 +2594 VAL 24 S 41 Y ? PHE 20 S 37 Y ? -2.5 ARG 25 S 42 Y ? -0.2 LEU 22 S 39 Y ? -0.2 ALA 23 S 40 Y ? -0.2 +2595 ARG 25 S 42 Y ? LEU 21 S 38 Y ? -2.0 PHE 20 S 37 Y ? -0.2 VAL 24 S 41 Y ? -0.2 ALA 23 S 40 Y ? -0.2 +2596 ARG 26 S 43 Y ? ALA 23 S 40 Y ? -1.0 GLY 27 S 44 Y ? -0.1 ALA 23 S 40 Y ? -0.2 VAL 24 S 41 Y ? -0.1 +2597 GLY 27 S 44 Y ? LEU 22 S 39 Y ? -3.4 ASN 28 S 45 Y ? -0.1 LEU 29 S 46 Y ? -1.6 SER 29 T 29 Z ? -0.2 +2598 ASN 28 S 45 Y ? ALA 28 T 28 Z ? -2.8 LEU 29 S 46 Y ? -0.2 GLY 27 S 44 Y ? -0.1 SER 29 T 29 Z ? -0.1 +2599 LEU 29 S 46 Y ? GLY 27 S 44 Y ? -1.6 LEU 22 S 39 Y ? -0.2 ASN 28 S 45 Y ? -0.2 VAL 34 J 43 K ? -0.1 +2600 MET 1 T 1 Z ? THR 2 T 2 Z ? -0.2 PHE 5 T 5 Z ? -0.0 PHE 5 T 5 Z ? -2.3 GLN 6 T 6 Z ? -0.1 +2601 THR 2 T 2 Z ? ILE 3 T 3 Z ? -0.2 LEU 4 T 4 Z ? -0.2 GLN 6 T 6 Z ? -2.4 MET 1 T 1 Z ? -0.2 +2602 ILE 3 T 3 Z ? PHE 5 T 5 Z ? -0.2 LEU 4 T 4 Z ? -0.2 LEU 7 T 7 Z ? -2.3 THR 2 T 2 Z ? -0.2 +2603 LEU 4 T 4 Z ? PHE 5 T 5 Z ? -0.2 GLN 6 T 6 Z ? -0.2 ALA 8 T 8 Z ? -2.2 THR 2 T 2 Z ? -0.2 +2604 PHE 5 T 5 Z ? MET 1 T 1 Z ? -2.3 LEU 7 T 7 Z ? -0.2 LEU 9 T 9 Z ? -2.4 LEU 4 T 4 Z ? -0.2 +2605 GLN 6 T 6 Z ? THR 2 T 2 Z ? -2.4 LEU 7 T 7 Z ? -0.2 ALA 10 T 10 Z ? -1.6 LEU 4 T 4 Z ? -0.2 +2606 LEU 7 T 7 Z ? ILE 3 T 3 Z ? -2.3 LEU 9 T 9 Z ? -0.2 ALA 11 T 11 Z ? -3.1 GLN 6 T 6 Z ? -0.2 +2607 ALA 8 T 8 Z ? LEU 4 T 4 Z ? -2.2 LEU 9 T 9 Z ? -0.2 LEU 12 T 12 Z ? -1.8 GLN 6 T 6 Z ? -0.2 +2608 LEU 9 T 9 Z ? PHE 5 T 5 Z ? -2.4 ALA 11 T 11 Z ? -0.2 VAL 13 T 13 Z ? -2.0 ALA 8 T 8 Z ? -0.2 +2609 ALA 10 T 10 Z ? GLN 6 T 6 Z ? -1.6 LEU 12 T 12 Z ? -0.2 ILE 14 T 14 Z ? -2.5 ALA 8 T 8 Z ? -0.2 +2610 ALA 11 T 11 Z ? LEU 7 T 7 Z ? -3.1 VAL 13 T 13 Z ? -0.2 LEU 15 T 15 Z ? -2.8 LEU 9 T 9 Z ? -0.2 +2611 LEU 12 T 12 Z ? ALA 8 T 8 Z ? -1.8 ILE 14 T 14 Z ? -0.2 SER 16 T 16 Z ? -2.6 ALA 10 T 10 Z ? -0.2 +2612 VAL 13 T 13 Z ? LEU 9 T 9 Z ? -2.0 LEU 15 T 15 Z ? -0.2 PHE 17 T 17 Z ? -2.1 ALA 11 T 11 Z ? -0.2 +2613 ILE 14 T 14 Z ? ALA 10 T 10 Z ? -2.5 SER 16 T 16 Z ? -0.2 VAL 18 T 18 Z ? -1.9 LEU 12 T 12 Z ? -0.2 +2614 LEU 15 T 15 Z ? ALA 11 T 11 Z ? -2.8 SER 16 T 16 Z ? -0.2 MET 19 T 19 Z ? -2.4 VAL 13 T 13 Z ? -0.2 +2615 SER 16 T 16 Z ? LEU 12 T 12 Z ? -2.6 PHE 17 T 17 Z ? -0.2 VAL 20 T 20 Z ? -2.4 LEU 15 T 15 Z ? -0.2 +2616 PHE 17 T 17 Z ? VAL 13 T 13 Z ? -2.1 VAL 18 T 18 Z ? -0.2 ILE 21 T 21 Z ? -1.1 SER 16 T 16 Z ? -0.2 +2617 VAL 18 T 18 Z ? ILE 14 T 14 Z ? -1.9 VAL 20 T 20 Z ? -0.2 GLY 22 T 22 Z ? -2.9 PHE 17 T 17 Z ? -0.2 +2618 MET 19 T 19 Z ? LEU 15 T 15 Z ? -2.4 VAL 20 T 20 Z ? -0.2 VAL 23 T 23 Z ? -2.4 PHE 17 T 17 Z ? -0.2 +2619 VAL 20 T 20 Z ? SER 16 T 16 Z ? -2.4 ILE 21 T 21 Z ? -0.2 MET 19 T 19 Z ? -0.2 VAL 18 T 18 Z ? -0.2 +2620 ILE 21 T 21 Z ? PHE 17 T 17 Z ? -1.1 VAL 18 T 18 Z ? -0.2 VAL 25 T 25 Z ? -1.3 MET 19 T 19 Z ? -0.2 +2621 GLY 22 T 22 Z ? VAL 18 T 18 Z ? -2.9 PRO 24 T 24 Z ? -0.2 ALA 26 T 26 Z ? -2.6 TYR 27 T 27 Z ? -0.2 +2622 VAL 23 T 23 Z ? MET 19 T 19 Z ? -2.4 PRO 24 T 24 Z ? -0.2 TYR 27 T 27 Z ? -3.2 ALA 28 T 28 Z ? -0.2 +2623 PRO 24 T 24 Z ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 28 T 28 Z ? -1.9 VAL 23 T 23 Z ? -0.2 +2624 VAL 25 T 25 Z ? ILE 21 T 21 Z ? -1.3 ALA 26 T 26 Z ? -0.2 VAL 23 T 23 Z ? -0.2 GLY 22 T 22 Z ? -0.1 +2625 ALA 26 T 26 Z ? GLY 22 T 22 Z ? -2.6 TYR 27 T 27 Z ? -0.2 SER 29 T 29 Z ? -1.4 VAL 25 T 25 Z ? -0.2 +2626 TYR 27 T 27 Z ? VAL 23 T 23 Z ? -3.2 ALA 28 T 28 Z ? -0.3 VAL 25 T 25 Z ? -0.2 ALA 26 T 26 Z ? -0.2 +2627 ALA 28 T 28 Z ? PRO 24 T 24 Z ? -1.9 VAL 23 T 23 Z ? -0.2 ASN 28 S 45 Y ? -2.8 TYR 27 T 27 Z ? -0.3 +2628 SER 29 T 29 Z ? ALA 26 T 26 Z ? -1.4 GLY 27 S 44 Y ? -0.2 ALA 28 T 28 Z ? -0.1 GLY 27 S 44 Y ? -0.1 +2629 PRO 30 T 30 Z ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TRP 33 T 33 Z ? -1.0 ASP 32 T 32 Z ? -0.7 +2630 GLN 31 T 31 Z ? ASP 32 T 32 Z ? -0.3 ARG 25 S 42 Y ? -0.2 SER 29 T 29 Z ? -0.1 ALA 28 T 28 Z ? -0.0 +2631 ASP 32 T 32 Z ? PRO 30 T 30 Z ? -0.7 ARG 35 T 35 Z ? -0.1 SER 36 T 36 Z ? -0.7 GLN 31 T 31 Z ? -0.3 +2632 TRP 33 T 33 Z ? PRO 30 T 30 Z ? -1.0 ARG 35 T 35 Z ? -0.1 LYS 37 T 37 Z ? -3.3 GLN 38 T 38 Z ? -0.2 +2633 ASP 34 T 34 Z ? SER 36 T 36 Z ? -0.2 ARG 35 T 35 Z ? -0.2 GLN 38 T 38 Z ? -0.8 TRP 33 T 33 Z ? -0.1 +2634 ARG 35 T 35 Z ? LYS 37 T 37 Z ? -0.2 GLN 38 T 38 Z ? -0.1 LEU 39 T 39 Z ? -1.9 GLN 38 T 38 Z ? -0.3 +2635 SER 36 T 36 Z ? ASP 32 T 32 Z ? -0.7 LYS 37 T 37 Z ? -0.2 ILE 40 T 40 Z ? -2.5 ASP 34 T 34 Z ? -0.2 +2636 LYS 37 T 37 Z ? TRP 33 T 33 Z ? -3.3 GLN 38 T 38 Z ? -0.2 PHE 41 T 41 Z ? -1.8 SER 36 T 36 Z ? -0.2 +2637 GLN 38 T 38 Z ? ASP 34 T 34 Z ? -0.8 ARG 35 T 35 Z ? -0.3 LEU 42 T 42 Z ? -2.5 LYS 37 T 37 Z ? -0.2 +2638 LEU 39 T 39 Z ? ARG 35 T 35 Z ? -1.9 PHE 41 T 41 Z ? -0.2 GLY 43 T 43 Z ? -3.3 LYS 37 T 37 Z ? -0.2 +2639 ILE 40 T 40 Z ? SER 36 T 36 Z ? -2.5 LEU 42 T 42 Z ? -0.2 SER 44 T 44 Z ? -2.6 GLN 38 T 38 Z ? -0.2 +2640 PHE 41 T 41 Z ? LYS 37 T 37 Z ? -1.8 SER 36 T 36 Z ? -0.2 GLY 45 T 45 Z ? -2.4 LEU 39 T 39 Z ? -0.2 +2641 LEU 42 T 42 Z ? GLN 38 T 38 Z ? -2.5 SER 44 T 44 Z ? -0.2 LEU 46 T 46 Z ? -2.7 ILE 40 T 40 Z ? -0.2 +2642 GLY 43 T 43 Z ? LEU 39 T 39 Z ? -3.3 SER 44 T 44 Z ? -0.2 TRP 47 T 47 Z ? -2.7 LEU 42 T 42 Z ? -0.2 +2643 SER 44 T 44 Z ? ILE 40 T 40 Z ? -2.6 LEU 46 T 46 Z ? -0.2 ILE 48 T 48 Z ? -2.5 ALA 49 T 49 Z ? -0.2 +2644 GLY 45 T 45 Z ? PHE 41 T 41 Z ? -2.4 LEU 46 T 46 Z ? -0.2 ALA 49 T 49 Z ? -2.4 SER 44 T 44 Z ? -0.2 +2645 LEU 46 T 46 Z ? LEU 42 T 42 Z ? -2.7 ILE 48 T 48 Z ? -0.2 LEU 50 T 50 Z ? -2.3 GLY 45 T 45 Z ? -0.2 +2646 TRP 47 T 47 Z ? GLY 43 T 43 Z ? -2.7 LEU 42 T 42 Z ? -0.2 VAL 51 T 51 Z ? -2.0 GLY 45 T 45 Z ? -0.2 +2647 ILE 48 T 48 Z ? SER 44 T 44 Z ? -2.5 ALA 49 T 49 Z ? -0.2 LEU 52 T 52 Z ? -2.2 LEU 46 T 46 Z ? -0.2 +2648 ALA 49 T 49 Z ? GLY 45 T 45 Z ? -2.4 SER 44 T 44 Z ? -0.2 VAL 53 T 53 Z ? -2.6 TRP 47 T 47 Z ? -0.2 +2649 LEU 50 T 50 Z ? LEU 46 T 46 Z ? -2.3 LEU 52 T 52 Z ? -0.2 VAL 54 T 54 Z ? -3.2 GLY 55 T 55 Z ? -0.3 +2650 VAL 51 T 51 Z ? TRP 47 T 47 Z ? -2.0 VAL 53 T 53 Z ? -0.2 GLY 55 T 55 Z ? -2.6 ALA 49 T 49 Z ? -0.2 +2651 LEU 52 T 52 Z ? ILE 48 T 48 Z ? -2.2 VAL 54 T 54 Z ? -0.2 VAL 56 T 56 Z ? -2.1 LEU 57 T 57 Z ? -0.2 +2652 VAL 53 T 53 Z ? ALA 49 T 49 Z ? -2.6 VAL 54 T 54 Z ? -0.2 LEU 57 T 57 Z ? -2.8 VAL 56 T 56 Z ? -0.2 +2653 VAL 54 T 54 Z ? LEU 50 T 50 Z ? -3.2 GLY 55 T 55 Z ? -0.2 ASN 58 T 58 Z ? -1.8 VAL 53 T 53 Z ? -0.2 +2654 GLY 55 T 55 Z ? VAL 51 T 51 Z ? -2.6 LEU 50 T 50 Z ? -0.3 PHE 59 T 59 Z ? -0.3 VAL 53 T 53 Z ? -0.2 +2655 VAL 56 T 56 Z ? LEU 52 T 52 Z ? -2.1 VAL 53 T 53 Z ? -0.2 PHE 59 T 59 Z ? -1.3 VAL 54 T 54 Z ? -0.2 +2656 LEU 57 T 57 Z ? VAL 53 T 53 Z ? -2.8 ASN 58 T 58 Z ? -0.3 PHE 60 T 60 Z ? -1.4 VAL 61 T 61 Z ? -0.3 +2657 ASN 58 T 58 Z ? VAL 54 T 54 Z ? -1.8 PHE 59 T 59 Z ? -0.2 VAL 61 T 61 Z ? -1.3 VAL 62 T 62 Z ? -0.9 +2658 PHE 59 T 59 Z ? VAL 56 T 56 Z ? -1.3 GLY 55 T 55 Z ? -0.3 ASN 58 T 58 Z ? -0.2 LEU 57 T 57 Z ? -0.2 +2659 PHE 60 T 60 Z ? LEU 57 T 57 Z ? -1.4 VAL 56 T 56 Z ? -0.2 PHE 59 T 59 Z ? -0.3 ASN 58 T 58 Z ? -0.2 +2660 VAL 61 T 61 Z ? ASN 58 T 58 Z ? -1.3 LEU 57 T 57 Z ? -0.3 ALA 5 J 14 K ? -0.3 PHE 59 T 59 Z ? -0.2 +2661 VAL 62 T 62 Z ? ASN 58 T 58 Z ? -0.9 LEU 57 T 57 Z ? -0.1 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +2662 ALA 1 U 11 a ? GLU 5 U 15 a ? -0.0 ARG 6 U 16 a ? -0.0 ARG 6 U 16 a ? -0.0 ? ? ? ? ? ? ? +2663 ASN 2 U 12 a ? LEU 3 U 13 a ? -0.1 ARG 6 U 16 a ? -0.0 ARG 6 U 16 a ? -1.6 PHE 7 U 17 a ? -0.2 +2664 LEU 3 U 13 a ? TRP 4 U 14 a ? -0.2 GLU 5 U 15 a ? -0.2 PHE 7 U 17 a ? -2.2 CYS 8 U 18 a ? -0.2 +2665 TRP 4 U 14 a ? GLU 5 U 15 a ? -0.2 ARG 6 U 16 a ? -0.2 CYS 8 U 18 a ? -2.7 LEU 3 U 13 a ? -0.2 +2666 GLU 5 U 15 a ? ARG 6 U 16 a ? -0.2 PHE 7 U 17 a ? -0.2 ASN 9 U 19 a ? -2.0 TRP 4 U 14 a ? -0.2 +2667 ARG 6 U 16 a ? ASN 2 U 12 a ? -1.6 CYS 8 U 18 a ? -0.2 TRP 10 U 20 a ? -1.7 GLU 5 U 15 a ? -0.2 +2668 PHE 7 U 17 a ? LEU 3 U 13 a ? -2.2 ASN 9 U 19 a ? -0.2 VAL 11 U 21 a ? -2.7 GLU 5 U 15 a ? -0.2 +2669 CYS 8 U 18 a ? TRP 4 U 14 a ? -2.7 ASN 9 U 19 a ? -0.2 THR 12 U 22 a ? -1.9 ARG 6 U 16 a ? -0.2 +2670 ASN 9 U 19 a ? GLU 5 U 15 a ? -2.0 TRP 4 U 14 a ? -0.2 CYS 8 U 18 a ? -0.2 PHE 7 U 17 a ? -0.2 +2671 TRP 10 U 20 a ? ARG 6 U 16 a ? -1.7 THR 12 U 22 a ? -0.2 SER 13 U 23 a ? -1.2 VAL 20 U 30 a ? -0.2 +2672 VAL 11 U 21 a ? PHE 7 U 17 a ? -2.7 THR 12 U 22 a ? -0.3 GLY 21 U 31 a ? -3.1 VAL 20 U 30 a ? -0.5 +2673 THR 12 U 22 a ? CYS 8 U 18 a ? -1.9 PHE 7 U 17 a ? -0.2 VAL 11 U 21 a ? -0.3 THR 14 U 24 a ? -0.2 +2674 SER 13 U 23 a ? TRP 10 U 20 a ? -1.2 THR 14 U 24 a ? -0.1 ASN 16 U 26 a ? -0.7 VAL 20 U 30 a ? -0.3 +2675 THR 14 U 24 a ? ASP 15 U 25 a ? -0.2 THR 12 U 22 a ? -0.2 SER 13 U 23 a ? -0.1 TYR 19 U 29 a ? -0.1 +2676 ASP 15 U 25 a ? TRP 10 U 20 a ? -0.1 LEU 18 U 28 a ? -0.1 ARG 17 U 27 a ? -0.2 THR 14 U 24 a ? -0.2 +2677 ASN 16 U 26 a ? SER 13 U 23 a ? -0.7 ARG 17 U 27 a ? -0.1 TYR 19 U 29 a ? -0.1 LEU 454 W 472 c ? -0.1 +2678 ARG 17 U 27 a ? ASP 15 U 25 a ? -0.2 LEU 18 U 28 a ? -0.2 TYR 19 U 29 a ? -0.4 GLY 247 X 258 d ? -0.2 +2679 LEU 18 U 28 a ? PHE 246 X 257 d ? -0.1 ILE 245 X 256 d ? -0.0 ARG 17 U 27 a ? -0.2 VAL 20 U 30 a ? -0.2 +2680 TYR 19 U 29 a ? GLN 244 X 255 d ? -1.2 ARG 17 U 27 a ? -0.4 THR 14 U 24 a ? -0.1 THR 12 U 22 a ? -0.1 +2681 VAL 20 U 30 a ? VAL 11 U 21 a ? -0.5 SER 13 U 23 a ? -0.3 GLY 24 U 34 a ? -0.8 TYR 19 U 29 a ? -0.2 +2682 GLY 21 U 31 a ? VAL 11 U 21 a ? -3.1 GLY 24 U 34 a ? -0.2 VAL 25 U 35 a ? -1.2 THR 12 U 22 a ? -0.1 +2683 TRP 22 U 32 a ? GLY 24 U 34 a ? -0.2 PHE 23 U 33 a ? -0.2 ILE 26 U 36 a ? -0.9 VAL 25 U 35 a ? -0.4 +2684 PHE 23 U 33 a ? GLY 24 U 34 a ? -0.2 VAL 25 U 35 a ? -0.2 MET 27 U 37 a ? -2.7 ILE 26 U 36 a ? -0.8 +2685 GLY 24 U 34 a ? VAL 20 U 30 a ? -0.8 VAL 25 U 35 a ? -0.2 ILE 28 U 38 a ? -2.7 TRP 22 U 32 a ? -0.2 +2686 VAL 25 U 35 a ? GLY 21 U 31 a ? -1.2 TRP 22 U 32 a ? -0.4 GLY 24 U 34 a ? -0.2 PHE 23 U 33 a ? -0.2 +2687 ILE 26 U 36 a ? TRP 22 U 32 a ? -0.9 PHE 23 U 33 a ? -0.8 THR 30 U 40 a ? -1.4 GLY 24 U 34 a ? -0.2 +2688 MET 27 U 37 a ? PHE 23 U 33 a ? -2.7 ILE 28 U 38 a ? -0.2 LEU 31 U 41 a ? -2.7 LEU 32 U 42 a ? -0.3 +2689 ILE 28 U 38 a ? GLY 24 U 34 a ? -2.7 PRO 29 U 39 a ? -0.2 LEU 32 U 42 a ? -2.0 ALA 33 U 43 a ? -0.2 +2690 PRO 29 U 39 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 33 U 43 a ? -2.4 ILE 28 U 38 a ? -0.2 +2691 THR 30 U 40 a ? ILE 26 U 36 a ? -1.4 LEU 32 U 42 a ? -0.2 ALA 34 U 44 a ? -2.7 THR 35 U 45 a ? -0.2 +2692 LEU 31 U 41 a ? MET 27 U 37 a ? -2.7 ILE 26 U 36 a ? -0.2 THR 35 U 45 a ? -2.4 THR 30 U 40 a ? -0.2 +2693 LEU 32 U 42 a ? ILE 28 U 38 a ? -2.0 MET 27 U 37 a ? -0.3 ILE 36 U 46 a ? -2.7 CYS 37 U 47 a ? -0.3 +2694 ALA 33 U 43 a ? PRO 29 U 39 a ? -2.4 ALA 34 U 44 a ? -0.2 CYS 37 U 47 a ? -2.1 PHE 38 U 48 a ? -0.2 +2695 ALA 34 U 44 a ? THR 30 U 40 a ? -2.7 THR 35 U 45 a ? -0.2 PHE 38 U 48 a ? -2.2 ALA 33 U 43 a ? -0.2 +2696 THR 35 U 45 a ? LEU 31 U 41 a ? -2.4 CYS 37 U 47 a ? -0.2 VAL 39 U 49 a ? -2.5 ILE 40 U 50 a ? -0.2 +2697 ILE 36 U 46 a ? LEU 32 U 42 a ? -2.7 CYS 37 U 47 a ? -0.2 ILE 40 U 50 a ? -2.3 THR 35 U 45 a ? -0.2 +2698 CYS 37 U 47 a ? ALA 33 U 43 a ? -2.1 LEU 32 U 42 a ? -0.3 ALA 41 U 51 a ? -2.6 PHE 42 U 52 a ? -0.3 +2699 PHE 38 U 48 a ? ALA 34 U 44 a ? -2.2 ALA 33 U 43 a ? -0.2 PHE 42 U 52 a ? -3.2 ILE 43 U 53 a ? -0.2 +2700 VAL 39 U 49 a ? THR 35 U 45 a ? -2.5 ILE 40 U 50 a ? -0.2 ILE 43 U 53 a ? -1.9 CYS 37 U 47 a ? -0.2 +2701 ILE 40 U 50 a ? ILE 36 U 46 a ? -2.3 THR 35 U 45 a ? -0.2 ALA 44 U 54 a ? -2.6 ALA 45 U 55 a ? -0.3 +2702 ALA 41 U 51 a ? CYS 37 U 47 a ? -2.6 PHE 42 U 52 a ? -0.2 ALA 45 U 55 a ? -2.0 VAL 39 U 49 a ? -0.2 +2703 PHE 42 U 52 a ? PHE 38 U 48 a ? -3.2 CYS 37 U 47 a ? -0.3 LEU 61 U 71 a ? -1.9 ALA 41 U 51 a ? -0.2 +2704 ILE 43 U 53 a ? VAL 39 U 49 a ? -1.9 SER 60 U 70 a ? -0.2 LEU 62 U 72 a ? -2.6 ALA 41 U 51 a ? -0.2 +2705 ALA 44 U 54 a ? ILE 40 U 50 a ? -2.6 VAL 39 U 49 a ? -0.2 ALA 41 U 51 a ? -0.2 PHE 42 U 52 a ? -0.2 +2706 ALA 45 U 55 a ? ALA 41 U 51 a ? -2.0 ILE 40 U 50 a ? -0.3 SER 60 U 70 a ? -0.4 GLY 59 U 69 a ? -0.2 +2707 PRO 46 U 56 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 59 U 69 a ? -0.1 VAL 57 U 67 a ? -0.1 +2708 PRO 47 U 57 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 49 U 59 a ? -0.4 SER 58 U 68 a ? -0.2 +2709 VAL 48 U 58 a ? VAL 57 U 67 a ? -2.4 GLU 55 U 65 a ? -0.1 VAL 57 U 67 a ? -3.2 ILE 50 U 60 a ? -1.9 +2710 ASP 49 U 59 a ? TYR 97 U 107 a ? -2.4 PRO 47 U 57 a ? -0.4 GLY 52 U 62 a ? -1.2 ASN 77 U 87 a ? -0.4 +2711 ILE 50 U 60 a ? VAL 48 U 58 a ? -1.9 GLU 55 U 65 a ? -0.3 ASN 77 U 87 a ? -0.2 ASP 49 U 59 a ? -0.2 +2712 ASP 51 U 61 a ? GLU 55 U 65 a ? -0.3 SER 76 U 86 a ? -0.2 ILE 50 U 60 a ? -0.3 SER 76 U 86 a ? -0.1 +2713 GLY 52 U 62 a ? ASP 49 U 59 a ? -1.2 ILE 53 U 63 a ? -0.1 ILE 50 U 60 a ? -0.1 ASP 49 U 59 a ? -0.1 +2714 ILE 53 U 63 a ? GLU 55 U 65 a ? -0.1 GLY 318 W 336 c ? -0.0 LEU 319 W 337 c ? -0.1 GLY 52 U 62 a ? -0.1 +2715 ARG 54 U 64 a ? ASP 49 U 59 a ? -0.2 GLU 55 U 65 a ? -0.2 ASP 49 U 59 a ? -0.1 VAL 103 AG 106 o ? -0.0 +2716 GLU 55 U 65 a ? VAL 57 U 67 a ? -0.0 VAL 48 U 58 a ? -0.0 ASP 51 U 61 a ? -0.3 ILE 50 U 60 a ? -0.3 +2717 PRO 56 U 66 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 58 U 68 a ? -0.4 ASP 49 U 59 a ? -0.3 +2718 VAL 57 U 67 a ? VAL 48 U 58 a ? -3.2 PRO 46 U 56 a ? -0.1 VAL 48 U 58 a ? -2.4 GLY 59 U 69 a ? -0.5 +2719 SER 58 U 68 a ? GLU 301 X 312 d ? -3.0 PRO 56 U 66 a ? -0.4 PHE 303 X 314 d ? -0.3 VAL 72 U 82 a ? -0.1 +2720 GLY 59 U 69 a ? VAL 57 U 67 a ? -0.5 ALA 45 U 55 a ? -0.2 ALA 71 U 81 a ? -3.1 LEU 61 U 71 a ? -0.2 +2721 SER 60 U 70 a ? ALA 45 U 55 a ? -0.4 GLY 70 U 80 a ? -0.2 ASN 65 U 75 a ? -0.8 TYR 63 U 73 a ? -0.7 +2722 LEU 61 U 71 a ? PHE 42 U 52 a ? -1.9 LEU 62 U 72 a ? -0.2 GLY 64 U 74 a ? -1.3 ASN 65 U 75 a ? -0.7 +2723 LEU 62 U 72 a ? ILE 43 U 53 a ? -2.6 TYR 63 U 73 a ? -0.3 LEU 61 U 71 a ? -0.2 ALA 44 U 54 a ? -0.1 +2724 TYR 63 U 73 a ? SER 60 U 70 a ? -0.7 ILE 43 U 53 a ? -0.2 LEU 62 U 72 a ? -0.3 LEU 61 U 71 a ? -0.2 +2725 GLY 64 U 74 a ? LEU 61 U 71 a ? -1.3 ASN 65 U 75 a ? -0.3 ASN 66 U 76 a ? -0.3 LEU 61 U 71 a ? -0.2 +2726 ASN 65 U 75 a ? SER 60 U 70 a ? -0.8 LEU 61 U 71 a ? -0.7 GLY 64 U 74 a ? -0.3 ILE 67 U 77 a ? -0.2 +2727 ASN 66 U 76 a ? GLY 64 U 74 a ? -0.3 TYR 6 AH 6 t ? -0.0 GLY 70 U 80 a ? -2.8 THR 69 U 79 a ? -0.2 +2728 ILE 67 U 77 a ? ILE 68 U 78 a ? -0.2 ASN 65 U 75 a ? -0.2 ILE 166 U 176 a ? -0.5 LEU 29 AE 30 l ? -0.0 +2729 ILE 68 U 78 a ? ILE 166 U 176 a ? -0.1 THR 69 U 79 a ? -0.1 SER 167 U 177 a ? -1.8 ILE 67 U 77 a ? -0.2 +2730 THR 69 U 79 a ? ILE 166 U 176 a ? -0.2 ASN 66 U 76 a ? -0.2 PHE 303 X 314 d ? -0.4 GLY 168 U 178 a ? -0.2 +2731 GLY 70 U 80 a ? ASN 66 U 76 a ? -2.8 SER 167 U 177 a ? -0.1 ILE 166 U 176 a ? -0.5 GLY 168 U 178 a ? -0.4 +2732 ALA 71 U 81 a ? GLY 59 U 69 a ? -3.1 PHE 42 U 52 a ? -0.2 VAL 73 U 83 a ? -0.7 GLY 165 U 175 a ? -0.2 +2733 VAL 72 U 82 a ? LEU 164 U 174 a ? -0.9 GLY 70 U 80 a ? -0.3 LEU 164 U 174 a ? -2.1 PHE 42 U 52 a ? -0.1 +2734 VAL 73 U 83 a ? ALA 71 U 81 a ? -0.7 PRO 163 U 173 a ? -0.2 TYR 102 U 112 a ? -0.4 SER 76 U 86 a ? -0.1 +2735 PRO 74 U 84 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 159 U 169 a ? -0.2 VAL 73 U 83 a ? -0.1 +2736 SER 75 U 85 a ? PHE 158 U 168 a ? -0.2 SER 76 U 86 a ? -0.1 GLY 99 U 109 a ? -0.3 GLY 161 U 171 a ? -0.1 +2737 SER 76 U 86 a ? ASN 98 U 108 a ? -2.5 ASN 77 U 87 a ? -0.1 GLY 80 U 90 a ? -0.9 ILE 79 U 89 a ? -0.7 +2738 ASN 77 U 87 a ? ASP 49 U 59 a ? -0.4 ILE 50 U 60 a ? -0.2 SER 76 U 86 a ? -0.1 ASP 51 U 61 a ? -0.1 +2739 ALA 78 U 88 a ? ILE 79 U 89 a ? -0.2 GLY 80 U 90 a ? -0.1 ASN 77 U 87 a ? -0.2 SER 76 U 86 a ? -0.1 +2740 ILE 79 U 89 a ? SER 76 U 86 a ? -0.7 GLY 80 U 90 a ? -0.2 HIS 82 U 92 a ? -2.3 LEU 81 U 91 a ? -0.2 +2741 GLY 80 U 90 a ? SER 76 U 86 a ? -0.9 LEU 81 U 91 a ? -0.3 PHE 158 U 168 a ? -1.8 SER 157 U 167 a ? -0.2 +2742 LEU 81 U 91 a ? ARG 339 W 357 c ? -0.4 GLY 156 U 166 a ? -0.4 GLY 201 W 219 c ? -1.8 GLY 80 U 90 a ? -0.3 +2743 HIS 82 U 92 a ? ILE 79 U 89 a ? -2.3 PHE 200 W 218 c ? -0.3 TYR 84 U 94 a ? -0.4 PHE 158 U 168 a ? -0.1 +2744 PHE 83 U 93 a ? GLY 201 W 219 c ? -0.4 TYR 84 U 94 a ? -0.1 HIS 82 U 92 a ? -0.1 LEU 81 U 91 a ? -0.1 +2745 TYR 84 U 94 a ? HIS 82 U 92 a ? -0.4 GLY 100 U 110 a ? -0.1 LEU 104 U 114 a ? -0.2 GLN 103 U 113 a ? -0.1 +2746 PRO 85 U 95 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 88 U 98 a ? -1.6 ALA 89 U 99 a ? -0.2 +2747 ILE 86 U 96 a ? TRP 87 U 97 a ? -0.3 GLU 88 U 98 a ? -0.2 ALA 89 U 99 a ? -1.7 TRP 95 U 105 a ? -0.1 +2748 TRP 87 U 97 a ? GLU 88 U 98 a ? -0.3 FME 1 AB 1 i ? -0.1 ILE 86 U 96 a ? -0.3 LYS 5 AB 5 i ? -0.1 +2749 GLU 88 U 98 a ? PRO 85 U 95 a ? -1.6 SER 91 U 101 a ? -0.0 ALA 90 U 100 a ? -0.3 TRP 87 U 97 a ? -0.3 +2750 ALA 89 U 99 a ? ILE 86 U 96 a ? -1.7 PRO 85 U 95 a ? -0.2 LEU 92 U 102 a ? -0.1 ASP 93 U 103 a ? -0.0 +2751 ALA 90 U 100 a ? GLU 88 U 98 a ? -0.3 SER 91 U 101 a ? -0.1 LEU 92 U 102 a ? -0.3 ALA 89 U 99 a ? -0.1 +2752 SER 91 U 101 a ? LEU 92 U 102 a ? -0.1 ILE 86 U 96 a ? -0.1 TRP 95 U 105 a ? -2.3 ALA 90 U 100 a ? -0.1 +2753 LEU 92 U 102 a ? ALA 90 U 100 a ? -0.3 GLU 94 U 104 a ? -0.2 LEU 96 U 106 a ? -2.5 TYR 97 U 107 a ? -0.2 +2754 ASP 93 U 103 a ? TRP 95 U 105 a ? -0.2 GLU 94 U 104 a ? -0.2 TYR 97 U 107 a ? -2.1 LEU 92 U 102 a ? -0.2 +2755 GLU 94 U 104 a ? TRP 95 U 105 a ? -0.2 LEU 96 U 106 a ? -0.2 ASN 98 U 108 a ? -2.1 ASP 93 U 103 a ? -0.2 +2756 TRP 95 U 105 a ? SER 91 U 101 a ? -2.3 LEU 96 U 106 a ? -0.2 GLY 100 U 110 a ? -2.9 ASP 93 U 103 a ? -0.2 +2757 LEU 96 U 106 a ? LEU 92 U 102 a ? -2.5 GLY 99 U 109 a ? -0.2 GLY 99 U 109 a ? -1.1 TRP 95 U 105 a ? -0.2 +2758 TYR 97 U 107 a ? ASP 93 U 103 a ? -2.1 ASN 98 U 108 a ? -0.2 ASP 49 U 59 a ? -2.4 TRP 95 U 105 a ? -0.2 +2759 ASN 98 U 108 a ? GLU 94 U 104 a ? -2.1 VAL 48 U 58 a ? -0.2 SER 76 U 86 a ? -2.5 TYR 97 U 107 a ? -0.2 +2760 GLY 99 U 109 a ? LEU 96 U 106 a ? -1.1 SER 75 U 85 a ? -0.3 GLN 103 U 113 a ? -0.8 TYR 102 U 112 a ? -0.7 +2761 GLY 100 U 110 a ? TRP 95 U 105 a ? -2.9 PRO 101 U 111 a ? -0.2 LEU 104 U 114 a ? -1.9 GLN 103 U 113 a ? -0.8 +2762 PRO 101 U 111 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 105 U 115 a ? -3.0 GLY 100 U 110 a ? -0.2 +2763 TYR 102 U 112 a ? GLY 99 U 109 a ? -0.7 VAL 73 U 83 a ? -0.4 ILE 106 U 116 a ? -2.6 PHE 107 U 117 a ? -0.2 +2764 GLN 103 U 113 a ? GLY 99 U 109 a ? -0.8 GLY 100 U 110 a ? -0.8 PHE 107 U 117 a ? -2.2 HIS 108 U 118 a ? -0.3 +2765 LEU 104 U 114 a ? GLY 100 U 110 a ? -1.9 ILE 105 U 115 a ? -0.2 HIS 108 U 118 a ? -1.8 PHE 109 U 119 a ? -0.3 +2766 ILE 105 U 115 a ? PRO 101 U 111 a ? -3.0 GLY 100 U 110 a ? -0.2 PHE 109 U 119 a ? -2.7 GLN 103 U 113 a ? -0.2 +2767 ILE 106 U 116 a ? TYR 102 U 112 a ? -2.6 HIS 108 U 118 a ? -0.2 LEU 110 U 120 a ? -3.1 LEU 111 U 121 a ? -0.2 +2768 PHE 107 U 117 a ? GLN 103 U 113 a ? -2.2 TYR 102 U 112 a ? -0.2 LEU 111 U 121 a ? -1.6 ILE 106 U 116 a ? -0.2 +2769 HIS 108 U 118 a ? LEU 104 U 114 a ? -1.8 GLN 103 U 113 a ? -0.3 GLY 112 U 122 a ? -2.9 ILE 106 U 116 a ? -0.2 +2770 PHE 109 U 119 a ? ILE 105 U 115 a ? -2.7 LEU 104 U 114 a ? -0.3 ALA 113 U 123 a ? -2.8 SER 114 U 124 a ? -0.2 +2771 LEU 110 U 120 a ? ILE 106 U 116 a ? -3.1 LEU 111 U 121 a ? -0.2 SER 114 U 124 a ? -1.8 PHE 109 U 119 a ? -0.2 +2772 LEU 111 U 121 a ? PHE 107 U 117 a ? -1.6 ILE 106 U 116 a ? -0.2 CYS 115 U 125 a ? -1.9 LEU 110 U 120 a ? -0.2 +2773 GLY 112 U 122 a ? HIS 108 U 118 a ? -2.9 ALA 113 U 123 a ? -0.2 TYR 116 U 126 a ? -1.6 LEU 110 U 120 a ? -0.2 +2774 ALA 113 U 123 a ? PHE 109 U 119 a ? -2.8 CYS 115 U 125 a ? -0.2 MET 117 U 127 a ? -1.9 GLY 112 U 122 a ? -0.2 +2775 SER 114 U 124 a ? LEU 110 U 120 a ? -1.8 PHE 109 U 119 a ? -0.2 GLY 118 U 128 a ? -1.8 GLY 112 U 122 a ? -0.2 +2776 CYS 115 U 125 a ? LEU 111 U 121 a ? -1.9 MET 117 U 127 a ? -0.2 ARG 119 U 129 a ? -3.2 ALA 113 U 123 a ? -0.2 +2777 TYR 116 U 126 a ? GLY 112 U 122 a ? -1.6 GLY 118 U 128 a ? -0.2 GLN 120 U 130 a ? -1.4 SER 114 U 124 a ? -0.2 +2778 MET 117 U 127 a ? ALA 113 U 123 a ? -1.9 ARG 119 U 129 a ? -0.2 TRP 121 U 131 a ? -1.4 GLN 120 U 130 a ? -0.2 +2779 GLY 118 U 128 a ? SER 114 U 124 a ? -1.8 ARG 119 U 129 a ? -0.2 GLU 122 U 132 a ? -2.4 TYR 116 U 126 a ? -0.2 +2780 ARG 119 U 129 a ? CYS 115 U 125 a ? -3.2 GLN 120 U 130 a ? -0.2 LEU 123 U 133 a ? -2.3 GLY 118 U 128 a ? -0.2 +2781 GLN 120 U 130 a ? TYR 116 U 126 a ? -1.4 MET 117 U 127 a ? -0.2 SER 124 U 134 a ? -1.3 ARG 119 U 129 a ? -0.2 +2782 TRP 121 U 131 a ? MET 117 U 127 a ? -1.4 LEU 123 U 133 a ? -0.2 TYR 125 U 135 a ? -1.5 ARG 119 U 129 a ? -0.2 +2783 GLU 122 U 132 a ? GLY 118 U 128 a ? -2.4 LEU 123 U 133 a ? -0.2 ARG 126 U 136 a ? -1.8 TYR 125 U 135 a ? -0.4 +2784 LEU 123 U 133 a ? ARG 119 U 129 a ? -2.3 SER 124 U 134 a ? -0.2 LEU 127 U 137 a ? -2.1 GLU 122 U 132 a ? -0.2 +2785 SER 124 U 134 a ? GLN 120 U 130 a ? -1.3 TYR 125 U 135 a ? -0.2 MET 129 U 139 a ? -3.1 LEU 123 U 133 a ? -0.2 +2786 TYR 125 U 135 a ? TRP 121 U 131 a ? -1.5 GLU 122 U 132 a ? -0.4 GLY 128 U 138 a ? -1.0 SER 124 U 134 a ? -0.2 +2787 ARG 126 U 136 a ? GLU 122 U 132 a ? -1.8 LEU 127 U 137 a ? -0.2 SER 124 U 134 a ? -0.2 TYR 125 U 135 a ? -0.2 +2788 LEU 127 U 137 a ? LEU 123 U 133 a ? -2.1 GLU 122 U 132 a ? -0.1 VAL 448 W 466 c ? -0.4 ARG 126 U 136 a ? -0.2 +2789 GLY 128 U 138 a ? TYR 125 U 135 a ? -1.0 MET 129 U 139 a ? -0.2 TYR 125 U 135 a ? -0.2 ARG 130 U 140 a ? -0.2 +2790 MET 129 U 139 a ? SER 124 U 134 a ? -3.1 LEU 123 U 133 a ? -0.2 GLY 128 U 138 a ? -0.2 THR 210 X 221 d ? -0.2 +2791 ARG 130 U 140 a ? ASN 209 X 220 d ? -1.0 GLY 128 U 138 a ? -0.2 ILE 133 U 143 a ? -0.4 MET 129 U 139 a ? -0.1 +2792 PRO 131 U 141 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? CYS 134 U 144 a ? -0.8 VAL 135 U 145 a ? -0.2 +2793 TRP 132 U 142 a ? ILE 133 U 143 a ? -0.2 CYS 134 U 144 a ? -0.2 ALA 136 U 146 a ? -0.9 VAL 135 U 145 a ? -0.3 +2794 ILE 133 U 143 a ? ARG 130 U 140 a ? -0.4 CYS 134 U 144 a ? -0.2 TYR 137 U 147 a ? -1.6 ALA 136 U 146 a ? -0.7 +2795 CYS 134 U 144 a ? PRO 131 U 141 a ? -0.8 VAL 135 U 145 a ? -0.2 SER 138 U 148 a ? -1.0 ILE 133 U 143 a ? -0.2 +2796 VAL 135 U 145 a ? TRP 132 U 142 a ? -0.3 TYR 137 U 147 a ? -0.2 ALA 139 U 149 a ? -0.3 CYS 134 U 144 a ? -0.2 +2797 ALA 136 U 146 a ? TRP 132 U 142 a ? -0.9 ILE 133 U 143 a ? -0.7 ALA 139 U 149 a ? -1.2 CYS 134 U 144 a ? -0.2 +2798 TYR 137 U 147 a ? ILE 133 U 143 a ? -1.6 SER 138 U 148 a ? -0.2 LEU 141 U 151 a ? -2.0 VAL 135 U 145 a ? -0.2 +2799 SER 138 U 148 a ? CYS 134 U 144 a ? -1.0 ALA 139 U 149 a ? -0.2 ALA 142 U 152 a ? -2.7 TYR 137 U 147 a ? -0.2 +2800 ALA 139 U 149 a ? ALA 136 U 146 a ? -1.2 VAL 135 U 145 a ? -0.3 SER 143 U 153 a ? -1.1 SER 138 U 148 a ? -0.2 +2801 PRO 140 U 150 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 144 U 154 a ? -1.9 SER 138 U 148 a ? -0.2 +2802 LEU 141 U 151 a ? TYR 137 U 147 a ? -2.0 ALA 142 U 152 a ? -0.2 PHE 145 U 155 a ? -2.3 ALA 139 U 149 a ? -0.2 +2803 ALA 142 U 152 a ? SER 138 U 148 a ? -2.7 SER 143 U 153 a ? -0.2 ALA 146 U 156 a ? -1.5 LEU 141 U 151 a ? -0.2 +2804 SER 143 U 153 a ? ALA 139 U 149 a ? -1.1 PHE 145 U 155 a ? -0.2 VAL 147 U 157 a ? -1.3 ALA 142 U 152 a ? -0.2 +2805 ALA 144 U 154 a ? PRO 140 U 150 a ? -1.9 PHE 145 U 155 a ? -0.2 PHE 148 U 158 a ? -1.9 VAL 147 U 157 a ? -0.3 +2806 PHE 145 U 155 a ? LEU 141 U 151 a ? -2.3 ALA 146 U 156 a ? -0.2 ILE 150 U 160 a ? -2.5 LEU 149 U 159 a ? -2.1 +2807 ALA 146 U 156 a ? ALA 142 U 152 a ? -1.5 VAL 147 U 157 a ? -0.2 TYR 151 U 161 a ? -2.2 PHE 145 U 155 a ? -0.2 +2808 VAL 147 U 157 a ? SER 143 U 153 a ? -1.3 ALA 144 U 154 a ? -0.3 MET 162 U 172 a ? -1.9 ALA 146 U 156 a ? -0.2 +2809 PHE 148 U 158 a ? ALA 144 U 154 a ? -1.9 GLY 161 U 171 a ? -0.2 ALA 146 U 156 a ? -0.2 PHE 145 U 155 a ? -0.2 +2810 LEU 149 U 159 a ? PHE 145 U 155 a ? -2.1 ALA 144 U 154 a ? -0.3 ILE 153 U 163 a ? -2.0 ALA 146 U 156 a ? -0.2 +2811 ILE 150 U 160 a ? PHE 145 U 155 a ? -2.5 PRO 152 U 162 a ? -0.2 GLY 154 U 164 a ? -2.0 GLN 155 U 165 a ? -0.2 +2812 TYR 151 U 161 a ? ALA 146 U 156 a ? -2.2 PHE 145 U 155 a ? -0.3 GLN 155 U 165 a ? -2.0 GLY 156 U 166 a ? -0.2 +2813 PRO 152 U 162 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 156 U 166 a ? -1.6 SER 157 U 167 a ? -1.3 +2814 ILE 153 U 163 a ? LEU 149 U 159 a ? -2.0 GLY 154 U 164 a ? -0.2 TYR 151 U 161 a ? -0.2 ILE 150 U 160 a ? -0.1 +2815 GLY 154 U 164 a ? ILE 150 U 160 a ? -2.0 GLN 155 U 165 a ? -0.2 ILE 153 U 163 a ? -0.2 TYR 151 U 161 a ? -0.1 +2816 GLN 155 U 165 a ? TYR 151 U 161 a ? -2.0 ILE 150 U 160 a ? -0.2 GLY 154 U 164 a ? -0.2 ILE 153 U 163 a ? -0.2 +2817 GLY 156 U 166 a ? PRO 152 U 162 a ? -1.6 TYR 151 U 161 a ? -0.2 LEU 81 U 91 a ? -0.4 PHE 158 U 168 a ? -0.3 +2818 SER 157 U 167 a ? PRO 152 U 162 a ? -1.3 GLY 80 U 90 a ? -0.2 ASP 160 U 170 a ? -1.6 LEU 81 U 91 a ? -0.2 +2819 PHE 158 U 168 a ? GLY 80 U 90 a ? -1.8 GLY 156 U 166 a ? -0.3 GLY 161 U 171 a ? -1.4 SER 75 U 85 a ? -0.2 +2820 SER 159 U 169 a ? ASP 160 U 170 a ? -0.3 SER 76 U 86 a ? -0.2 PHE 158 U 168 a ? -0.3 ASN 77 U 87 a ? -0.1 +2821 ASP 160 U 170 a ? SER 157 U 167 a ? -1.6 MET 162 U 172 a ? -0.1 SER 159 U 169 a ? -0.3 PHE 158 U 168 a ? -0.2 +2822 GLY 161 U 171 a ? PHE 158 U 168 a ? -1.4 SER 75 U 85 a ? -0.1 PHE 148 U 158 a ? -0.2 VAL 147 U 157 a ? -0.1 +2823 MET 162 U 172 a ? VAL 147 U 157 a ? -1.9 ASP 160 U 170 a ? -0.1 THR 169 U 179 a ? -0.1 GLY 161 U 171 a ? -0.1 +2824 PRO 163 U 173 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 165 U 175 a ? -1.4 VAL 73 U 83 a ? -0.2 +2825 LEU 164 U 174 a ? VAL 72 U 82 a ? -2.1 GLY 168 U 178 a ? -0.1 VAL 72 U 82 a ? -0.9 ILE 166 U 176 a ? -0.3 +2826 GLY 165 U 175 a ? PRO 163 U 173 a ? -1.4 ALA 71 U 81 a ? -0.2 THR 169 U 179 a ? -1.8 ALA 71 U 81 a ? -0.2 +2827 ILE 166 U 176 a ? GLY 70 U 80 a ? -0.5 ILE 67 U 77 a ? -0.5 PHE 170 U 180 a ? -1.2 THR 169 U 179 a ? -0.2 +2828 SER 167 U 177 a ? ILE 68 U 78 a ? -1.8 GLY 70 U 80 a ? -0.4 ASN 171 U 181 a ? -2.0 ILE 166 U 176 a ? -0.2 +2829 GLY 168 U 178 a ? GLY 70 U 80 a ? -0.4 THR 69 U 79 a ? -0.2 PHE 172 U 182 a ? -2.5 SER 167 U 177 a ? -0.2 +2830 THR 169 U 179 a ? GLY 165 U 175 a ? -1.8 ASN 171 U 181 a ? -0.2 MET 173 U 183 a ? -2.1 GLY 168 U 178 a ? -0.2 +2831 PHE 170 U 180 a ? ILE 166 U 176 a ? -1.2 PHE 172 U 182 a ? -0.2 ILE 174 U 184 a ? -2.3 VAL 175 U 185 a ? -0.2 +2832 ASN 171 U 181 a ? SER 167 U 177 a ? -2.0 PHE 172 U 182 a ? -0.2 VAL 175 U 185 a ? -2.2 PHE 176 U 186 a ? -0.3 +2833 PHE 172 U 182 a ? GLY 168 U 178 a ? -2.5 MET 173 U 183 a ? -0.2 PHE 176 U 186 a ? -2.2 PHE 170 U 180 a ? -0.2 +2834 MET 173 U 183 a ? THR 169 U 179 a ? -2.1 VAL 175 U 185 a ? -0.2 GLN 177 U 187 a ? -1.7 PHE 172 U 182 a ? -0.2 +2835 ILE 174 U 184 a ? PHE 170 U 180 a ? -2.3 PHE 176 U 186 a ? -0.2 ALA 178 U 188 a ? -2.1 MET 173 U 183 a ? -0.2 +2836 VAL 175 U 185 a ? ASN 171 U 181 a ? -2.2 PHE 170 U 180 a ? -0.2 GLU 179 U 189 a ? -2.0 MET 173 U 183 a ? -0.2 +2837 PHE 176 U 186 a ? PHE 172 U 182 a ? -2.2 ASN 171 U 181 a ? -0.3 HIS 180 U 190 a ? -1.8 ASN 181 U 191 a ? -0.4 +2838 GLN 177 U 187 a ? MET 173 U 183 a ? -1.7 ALA 178 U 188 a ? -0.2 ASN 181 U 191 a ? -2.1 PHE 176 U 186 a ? -0.2 +2839 ALA 178 U 188 a ? ILE 174 U 184 a ? -2.1 GLU 179 U 189 a ? -0.2 GLN 177 U 187 a ? -0.2 PHE 176 U 186 a ? -0.2 +2840 GLU 179 U 189 a ? VAL 175 U 185 a ? -2.0 ILE 174 U 184 a ? -0.1 ALA 393 W 411 c ? -0.5 GLN 177 U 187 a ? -0.2 +2841 HIS 180 U 190 a ? PHE 176 U 186 a ? -1.8 VAL 175 U 185 a ? -0.2 GLY 289 U 299 a ? -2.4 GLN 177 U 187 a ? -0.2 +2842 ASN 181 U 191 a ? GLN 177 U 187 a ? -2.1 PHE 176 U 186 a ? -0.4 MET 184 U 194 a ? -1.4 HIS 185 U 195 a ? -0.2 +2843 ILE 182 U 192 a ? LEU 183 U 193 a ? -0.3 PHE 176 U 186 a ? -0.2 HIS 185 U 195 a ? -1.5 HIS 188 U 198 a ? -0.3 +2844 LEU 183 U 193 a ? MET 184 U 194 a ? -0.3 HIS 188 U 198 a ? -0.1 ILE 182 U 192 a ? -0.3 ASN 181 U 191 a ? -0.1 +2845 MET 184 U 194 a ? ASN 181 U 191 a ? -1.4 PHE 290 U 300 a ? -0.1 PHE 290 U 300 a ? -1.6 LEU 183 U 193 a ? -0.3 +2846 HIS 185 U 195 a ? ILE 182 U 192 a ? -1.5 GLY 289 U 299 a ? -0.3 GLN 189 U 199 a ? -1.5 HIS 188 U 198 a ? -1.1 +2847 PRO 186 U 196 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 190 U 200 a ? -2.2 GLY 191 U 201 a ? -0.1 +2848 PHE 187 U 197 a ? GLN 189 U 199 a ? -0.2 HIS 188 U 198 a ? -0.2 GLY 191 U 201 a ? -1.3 GLY 279 U 289 a ? -0.2 +2849 HIS 188 U 198 a ? HIS 185 U 195 a ? -1.1 ILE 182 U 192 a ? -0.3 VAL 192 U 202 a ? -2.1 PHE 187 U 197 a ? -0.2 +2850 GLN 189 U 199 a ? HIS 185 U 195 a ? -1.5 GLY 191 U 201 a ? -0.2 ALA 193 U 203 a ? -2.2 PHE 187 U 197 a ? -0.2 +2851 LEU 190 U 200 a ? PRO 186 U 196 a ? -2.2 VAL 192 U 202 a ? -0.2 GLY 194 U 204 a ? -1.7 HIS 188 U 198 a ? -0.2 +2852 GLY 191 U 201 a ? PHE 187 U 197 a ? -1.3 ALA 193 U 203 a ? -0.2 VAL 195 U 205 a ? -2.1 GLN 189 U 199 a ? -0.2 +2853 VAL 192 U 202 a ? HIS 188 U 198 a ? -2.1 ALA 193 U 203 a ? -0.2 PHE 196 U 206 a ? -3.1 GLY 197 U 207 a ? -0.4 +2854 ALA 193 U 203 a ? GLN 189 U 199 a ? -2.2 GLY 194 U 204 a ? -0.2 GLY 197 U 207 a ? -1.8 VAL 192 U 202 a ? -0.2 +2855 GLY 194 U 204 a ? LEU 190 U 200 a ? -1.7 GLY 272 U 282 a ? -0.2 GLY 198 U 208 a ? -2.3 VAL 192 U 202 a ? -0.2 +2856 VAL 195 U 205 a ? GLY 191 U 201 a ? -2.1 GLY 197 U 207 a ? -0.2 ALA 199 U 209 a ? -2.2 ALA 193 U 203 a ? -0.2 +2857 PHE 196 U 206 a ? VAL 192 U 202 a ? -3.1 GLY 191 U 201 a ? -0.2 LEU 200 U 210 a ? -2.6 ALA 193 U 203 a ? -0.2 +2858 GLY 197 U 207 a ? ALA 193 U 203 a ? -1.8 VAL 192 U 202 a ? -0.4 PHE 201 U 211 a ? -3.3 CYS 202 U 212 a ? -0.3 +2859 GLY 198 U 208 a ? GLY 194 U 204 a ? -2.3 ALA 199 U 209 a ? -0.2 CYS 202 U 212 a ? -1.8 GLY 197 U 207 a ? -0.2 +2860 ALA 199 U 209 a ? VAL 195 U 205 a ? -2.2 PHE 201 U 211 a ? -0.2 ALA 203 U 213 a ? -2.0 GLY 197 U 207 a ? -0.2 +2861 LEU 200 U 210 a ? PHE 196 U 206 a ? -2.6 CYS 202 U 212 a ? -0.2 MET 204 U 214 a ? -2.3 GLY 198 U 208 a ? -0.2 +2862 PHE 201 U 211 a ? GLY 197 U 207 a ? -3.3 ALA 203 U 213 a ? -0.2 HIS 205 U 215 a ? -2.7 GLY 206 U 216 a ? -0.3 +2863 CYS 202 U 212 a ? GLY 198 U 208 a ? -1.8 GLY 197 U 207 a ? -0.3 GLY 206 U 216 a ? -2.4 PHE 201 U 211 a ? -0.2 +2864 ALA 203 U 213 a ? ALA 199 U 209 a ? -2.0 MET 204 U 214 a ? -0.2 SER 207 U 217 a ? -3.3 LEU 208 U 218 a ? -0.2 +2865 MET 204 U 214 a ? LEU 200 U 210 a ? -2.3 GLY 206 U 216 a ? -0.2 LEU 208 U 218 a ? -2.0 CYS 202 U 212 a ? -0.2 +2866 HIS 205 U 215 a ? PHE 201 U 211 a ? -2.7 SER 207 U 217 a ? -0.2 VAL 209 U 219 a ? -2.0 THR 210 U 220 a ? -0.3 +2867 GLY 206 U 216 a ? CYS 202 U 212 a ? -2.4 PHE 201 U 211 a ? -0.3 THR 210 U 220 a ? -1.9 LEU 261 X 272 d ? -0.2 +2868 SER 207 U 217 a ? ALA 203 U 213 a ? -3.3 VAL 209 U 219 a ? -0.2 SER 211 U 221 a ? -1.8 ASN 131 X 142 d ? -0.3 +2869 LEU 208 U 218 a ? MET 204 U 214 a ? -2.0 ALA 203 U 213 a ? -0.2 SER 212 U 222 a ? -0.7 GLY 206 U 216 a ? -0.2 +2870 VAL 209 U 219 a ? HIS 205 U 215 a ? -2.0 THR 210 U 220 a ? -0.2 SER 212 U 222 a ? -0.7 SER 207 U 217 a ? -0.2 +2871 THR 210 U 220 a ? GLY 206 U 216 a ? -1.9 HIS 257 X 268 d ? -0.3 LEU 213 U 223 a ? -0.9 LEU 208 U 218 a ? -0.2 +2872 SER 211 U 221 a ? SER 207 U 217 a ? -1.8 SER 212 U 222 a ? -0.2 ARG 128 X 139 d ? -2.9 THR 210 U 220 a ? -0.2 +2873 SER 212 U 222 a ? VAL 209 U 219 a ? -0.7 LEU 208 U 218 a ? -0.7 ASN 237 U 247 a ? -2.4 SER 211 U 221 a ? -0.2 +2874 LEU 213 U 223 a ? THR 210 U 220 a ? -0.9 TYR 236 U 246 a ? -0.2 ILE 481 V 482 b ? -2.8 TYR 236 U 246 a ? -0.2 +2875 ILE 214 U 224 a ? THR 235 U 245 a ? -1.7 GLY 480 V 481 b ? -0.2 GLU 216 U 226 a ? -0.7 ASP 482 V 483 b ? -0.2 +2876 ARG 215 U 225 a ? ILE 481 V 482 b ? -2.1 LEU 213 U 223 a ? -0.2 GLY 480 V 481 b ? -0.2 ILE 214 U 224 a ? -0.1 +2877 GLU 216 U 226 a ? ILE 214 U 224 a ? -0.7 SER 479 V 480 b ? -0.6 THR 218 U 228 a ? -0.3 ARG 215 U 225 a ? -0.2 +2878 THR 217 U 227 a ? SER 479 V 480 b ? -0.5 ILE 214 U 224 a ? -0.1 GLU 219 U 229 a ? -0.1 ALA 223 U 233 a ? -0.1 +2879 THR 218 U 228 a ? GLU 216 U 226 a ? -0.3 SER 222 U 232 a ? -0.1 GLU 221 U 231 a ? -1.1 GLU 216 U 226 a ? -0.1 +2880 GLU 219 U 229 a ? THR 220 U 230 a ? -0.2 THR 217 U 227 a ? -0.1 ALA 223 U 233 a ? -0.1 THR 218 U 228 a ? -0.1 +2881 THR 220 U 230 a ? SER 222 U 232 a ? -0.1 LEU 2 V 3 b ? -0.1 SER 222 U 232 a ? -0.3 GLU 219 U 229 a ? -0.2 +2882 GLU 221 U 231 a ? THR 218 U 228 a ? -1.1 LEU 2 V 3 b ? -0.1 LEU 2 V 3 b ? -0.1 THR 217 U 227 a ? -0.1 +2883 SER 222 U 232 a ? GLY 1 V 2 b ? -0.4 THR 220 U 230 a ? -0.3 TYR 225 U 235 a ? -0.7 GLY 226 U 236 a ? -0.1 +2884 ALA 223 U 233 a ? ASN 224 U 234 a ? -0.2 TYR 225 U 235 a ? -0.2 GLY 226 U 236 a ? -1.9 SER 222 U 232 a ? -0.1 +2885 ASN 224 U 234 a ? TYR 225 U 235 a ? -0.3 GLY 226 U 236 a ? -0.2 TYR 227 U 237 a ? -1.7 ARG 254 X 265 d ? -0.3 +2886 TYR 225 U 235 a ? SER 222 U 232 a ? -0.7 GLY 226 U 236 a ? -0.3 ASN 224 U 234 a ? -0.3 ALA 223 U 233 a ? -0.2 +2887 GLY 226 U 236 a ? ALA 223 U 233 a ? -1.9 SER 222 U 232 a ? -0.1 LYS 228 U 238 a ? -0.4 TYR 225 U 235 a ? -0.3 +2888 TYR 227 U 237 a ? ASN 224 U 234 a ? -1.7 ALA 223 U 233 a ? -0.1 PHE 229 U 239 a ? -0.5 GLU 234 U 244 a ? -0.0 +2889 LYS 228 U 238 a ? GLY 226 U 236 a ? -0.4 ASN 252 X 263 d ? -0.0 GLN 231 U 241 a ? -2.5 THR 30 AH 30 t ? -0.1 +2890 PHE 229 U 239 a ? TYR 227 U 237 a ? -0.5 GLY 230 U 240 a ? -0.3 THR 30 AH 30 t ? -1.4 ASN 252 X 263 d ? -0.1 +2891 GLY 230 U 240 a ? GLN 231 U 241 a ? -0.3 ILE 29 AH 29 t ? -0.2 PHE 229 U 239 a ? -0.3 ILE 29 AH 29 t ? -0.1 +2892 GLN 231 U 241 a ? LYS 228 U 238 a ? -2.5 GLU 232 U 242 a ? -0.1 GLY 230 U 240 a ? -0.3 MET 235 X 246 d ? -0.2 +2893 GLU 232 U 242 a ? GLU 230 X 241 d ? -0.1 GLU 234 U 244 a ? -0.1 GLU 231 X 242 d ? -2.3 GLU 234 U 244 a ? -0.2 +2894 GLU 233 U 243 a ? GLU 230 X 241 d ? -0.2 GLU 234 U 244 a ? -0.1 GLU 230 X 241 d ? -0.2 ALA 229 X 240 d ? -0.1 +2895 GLU 234 U 244 a ? ALA 229 X 240 d ? -3.0 GLU 232 U 242 a ? -0.2 GLU 233 U 243 a ? -0.1 GLU 232 U 242 a ? -0.1 +2896 THR 235 U 245 a ? GLN 231 U 241 a ? -0.1 GLU 233 U 243 a ? -0.1 ILE 214 U 224 a ? -1.7 ASN 237 U 247 a ? -0.3 +2897 TYR 236 U 246 a ? LEU 213 U 223 a ? -0.2 GLY 480 V 481 b ? -0.0 ILE 238 U 248 a ? -0.9 LEU 213 U 223 a ? -0.2 +2898 ASN 237 U 247 a ? SER 212 U 222 a ? -2.4 THR 235 U 245 a ? -0.3 ALA 241 U 251 a ? -1.6 ALA 240 U 250 a ? -0.4 +2899 ILE 238 U 248 a ? TYR 236 U 246 a ? -0.9 VAL 239 U 249 a ? -0.2 HIS 242 U 252 a ? -2.8 GLY 243 U 253 a ? -0.2 +2900 VAL 239 U 249 a ? PRO 226 X 237 d ? -0.3 ALA 241 U 251 a ? -0.2 GLY 243 U 253 a ? -2.2 ILE 238 U 248 a ? -0.2 +2901 ALA 240 U 250 a ? ASN 237 U 247 a ? -0.4 HIS 242 U 252 a ? -0.2 TYR 244 U 254 a ? -1.3 ILE 238 U 248 a ? -0.2 +2902 ALA 241 U 251 a ? ASN 237 U 247 a ? -1.6 GLY 243 U 253 a ? -0.2 PHE 245 U 255 a ? -2.6 VAL 239 U 249 a ? -0.2 +2903 HIS 242 U 252 a ? ILE 238 U 248 a ? -2.8 GLY 243 U 253 a ? -0.2 GLY 246 U 256 a ? -2.8 ARG 247 U 257 a ? -0.3 +2904 GLY 243 U 253 a ? VAL 239 U 249 a ? -2.2 ILE 238 U 248 a ? -0.2 ARG 247 U 257 a ? -1.1 HIS 242 U 252 a ? -0.2 +2905 TYR 244 U 254 a ? ALA 240 U 250 a ? -1.3 GLY 246 U 256 a ? -0.2 LEU 248 U 258 a ? -1.6 ARG 247 U 257 a ? -0.3 +2906 PHE 245 U 255 a ? ALA 241 U 251 a ? -2.6 GLY 246 U 256 a ? -0.2 ILE 249 U 259 a ? -1.4 PHE 250 U 260 a ? -0.2 +2907 GLY 246 U 256 a ? HIS 242 U 252 a ? -2.8 ALA 241 U 251 a ? -0.2 PHE 245 U 255 a ? -0.2 ALA 253 U 263 a ? -0.2 +2908 ARG 247 U 257 a ? GLY 243 U 253 a ? -1.1 TYR 244 U 254 a ? -0.3 PHE 18 X 29 d ? -0.5 PHE 245 U 255 a ? -0.2 +2909 LEU 248 U 258 a ? TYR 244 U 254 a ? -1.6 PHE 250 U 260 a ? -0.1 GLY 246 U 256 a ? -0.2 ARG 247 U 257 a ? -0.2 +2910 ILE 249 U 259 a ? PHE 245 U 255 a ? -1.4 PHE 250 U 260 a ? -0.2 PHE 18 X 29 d ? -0.4 GLN 251 U 261 a ? -0.3 +2911 PHE 250 U 260 a ? PHE 245 U 255 a ? -0.2 VAL 17 X 28 d ? -0.1 ALA 253 U 263 a ? -1.1 ILE 249 U 259 a ? -0.2 +2912 GLN 251 U 261 a ? PHE 16 X 27 d ? -0.4 ILE 249 U 259 a ? -0.3 SER 254 U 264 a ? -1.2 ARG 247 U 257 a ? -0.1 +2913 TYR 252 U 262 a ? ALA 253 U 263 a ? -0.3 GLY 246 U 256 a ? -0.1 GLN 251 U 261 a ? -0.2 GLY 246 U 256 a ? -0.1 +2914 ALA 253 U 263 a ? PHE 250 U 260 a ? -1.1 GLY 246 U 256 a ? -0.2 PHE 255 U 265 a ? -0.5 TYR 252 U 262 a ? -0.3 +2915 SER 254 U 264 a ? GLN 251 U 261 a ? -1.2 PHE 250 U 260 a ? -0.1 ASN 256 U 266 a ? -0.3 GLY 246 U 256 a ? -0.1 +2916 PHE 255 U 265 a ? ALA 253 U 263 a ? -0.5 ASN 256 U 266 a ? -0.1 PHE 245 U 255 a ? -0.1 GLY 246 U 256 a ? -0.1 +2917 ASN 256 U 266 a ? SER 254 U 264 a ? -0.3 HIS 242 U 252 a ? -0.0 SER 258 U 268 a ? -0.5 PHE 255 U 265 a ? -0.1 +2918 ASN 257 U 267 a ? SER 258 U 268 a ? -0.1 ASN 225 X 236 d ? -0.1 LEU 261 U 271 a ? -2.0 HIS 262 U 272 a ? -0.1 +2919 SER 258 U 268 a ? ASN 256 U 266 a ? -0.5 SER 260 U 270 a ? -0.2 HIS 262 U 272 a ? -1.9 PHE 263 U 273 a ? -0.1 +2920 ARG 259 U 269 a ? PHE 221 X 232 d ? -0.2 LEU 261 U 271 a ? -0.2 PHE 263 U 273 a ? -2.0 SER 258 U 268 a ? -0.2 +2921 SER 260 U 270 a ? PHE 221 X 232 d ? -0.2 HIS 262 U 272 a ? -0.2 PHE 264 U 274 a ? -2.6 SER 258 U 268 a ? -0.2 +2922 LEU 261 U 271 a ? ASN 257 U 267 a ? -2.0 HIS 262 U 272 a ? -0.2 LEU 265 U 275 a ? -2.1 ARG 259 U 269 a ? -0.2 +2923 HIS 262 U 272 a ? SER 258 U 268 a ? -1.9 PHE 263 U 273 a ? -0.2 ALA 266 U 276 a ? -1.8 LEU 261 U 271 a ? -0.2 +2924 PHE 263 U 273 a ? ARG 259 U 269 a ? -2.0 LEU 265 U 275 a ? -0.2 ALA 267 U 277 a ? -3.0 HIS 262 U 272 a ? -0.2 +2925 PHE 264 U 274 a ? SER 260 U 270 a ? -2.6 LEU 265 U 275 a ? -0.2 TRP 268 U 278 a ? -2.1 HIS 262 U 272 a ? -0.2 +2926 LEU 265 U 275 a ? LEU 261 U 271 a ? -2.1 ALA 267 U 277 a ? -0.2 PHE 264 U 274 a ? -0.2 PHE 263 U 273 a ? -0.2 +2927 ALA 266 U 276 a ? HIS 262 U 272 a ? -1.8 ALA 267 U 277 a ? -0.1 VAL 270 U 280 a ? -1.4 PHE 264 U 274 a ? -0.2 +2928 ALA 267 U 277 a ? PHE 263 U 273 a ? -3.0 TRP 268 U 278 a ? -0.2 VAL 271 U 281 a ? -2.6 GLY 272 U 282 a ? -0.4 +2929 TRP 268 U 278 a ? PHE 264 U 274 a ? -2.1 PHE 263 U 273 a ? -0.2 GLY 272 U 282 a ? -2.1 ALA 267 U 277 a ? -0.2 +2930 PRO 269 U 279 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 273 U 283 a ? -2.3 TRP 268 U 278 a ? -0.2 +2931 VAL 270 U 280 a ? ALA 266 U 276 a ? -1.4 GLY 272 U 282 a ? -0.2 TRP 274 U 284 a ? -2.1 TRP 268 U 278 a ? -0.2 +2932 VAL 271 U 281 a ? ALA 267 U 277 a ? -2.6 GLY 272 U 282 a ? -0.2 PHE 275 U 285 a ? -2.0 ALA 276 U 286 a ? -0.2 +2933 GLY 272 U 282 a ? TRP 268 U 278 a ? -2.1 ALA 267 U 277 a ? -0.4 ALA 276 U 286 a ? -1.2 VAL 271 U 281 a ? -0.2 +2934 VAL 273 U 283 a ? PRO 269 U 279 a ? -2.3 PHE 275 U 285 a ? -0.2 ALA 277 U 287 a ? -2.8 GLY 272 U 282 a ? -0.2 +2935 TRP 274 U 284 a ? VAL 270 U 280 a ? -2.1 ALA 276 U 286 a ? -0.2 LEU 278 U 288 a ? -2.4 GLY 272 U 282 a ? -0.2 +2936 PHE 275 U 285 a ? VAL 271 U 281 a ? -2.0 ALA 277 U 287 a ? -0.2 GLY 279 U 289 a ? -1.2 VAL 273 U 283 a ? -0.2 +2937 ALA 276 U 286 a ? GLY 272 U 282 a ? -1.2 LEU 278 U 288 a ? -0.2 ILE 280 U 290 a ? -1.8 GLY 279 U 289 a ? -0.4 +2938 ALA 277 U 287 a ? VAL 273 U 283 a ? -2.8 LEU 278 U 288 a ? -0.2 SER 281 U 291 a ? -2.1 PHE 275 U 285 a ? -0.2 +2939 LEU 278 U 288 a ? TRP 274 U 284 a ? -2.4 ILE 280 U 290 a ? -0.2 THR 282 U 292 a ? -1.2 ALA 277 U 287 a ? -0.2 +2940 GLY 279 U 289 a ? PHE 275 U 285 a ? -1.2 ALA 276 U 286 a ? -0.4 MET 283 U 293 a ? -1.8 THR 282 U 292 a ? -0.2 +2941 ILE 280 U 290 a ? ALA 276 U 286 a ? -1.8 SER 281 U 291 a ? -0.2 ALA 284 U 294 a ? -0.9 LEU 278 U 288 a ? -0.2 +2942 SER 281 U 291 a ? ALA 277 U 287 a ? -2.1 THR 282 U 292 a ? -0.2 ILE 280 U 290 a ? -0.2 GLY 279 U 289 a ? -0.2 +2943 THR 282 U 292 a ? LEU 278 U 288 a ? -1.2 GLY 279 U 289 a ? -0.2 LEU 287 U 297 a ? -1.5 PHE 285 U 295 a ? -1.0 +2944 MET 283 U 293 a ? GLY 279 U 289 a ? -1.8 ALA 284 U 294 a ? -0.2 ASN 286 U 296 a ? -1.4 SER 281 U 291 a ? -0.2 +2945 ALA 284 U 294 a ? ILE 280 U 290 a ? -0.9 PHE 285 U 295 a ? -0.3 MET 283 U 293 a ? -0.2 THR 282 U 292 a ? -0.2 +2946 PHE 285 U 295 a ? THR 282 U 292 a ? -1.0 SER 281 U 291 a ? -0.2 ALA 284 U 294 a ? -0.3 MET 283 U 293 a ? -0.2 +2947 ASN 286 U 296 a ? MET 283 U 293 a ? -1.4 LEU 287 U 297 a ? -0.2 GLY 384 W 402 c ? -1.6 ASN 288 U 298 a ? -1.0 +2948 LEU 287 U 297 a ? THR 282 U 292 a ? -1.5 LEU 383 W 401 c ? -0.1 SER 385 W 403 c ? -0.2 ASN 286 U 296 a ? -0.2 +2949 ASN 288 U 298 a ? GLY 384 W 402 c ? -2.8 ASN 286 U 296 a ? -1.0 LEU 386 W 404 c ? -2.1 ASN 181 U 191 a ? -0.2 +2950 GLY 289 U 299 a ? HIS 180 U 190 a ? -2.4 SER 385 W 403 c ? -0.2 HIS 185 U 195 a ? -0.3 ASN 288 U 298 a ? -0.2 +2951 PHE 290 U 300 a ? MET 184 U 194 a ? -1.6 SER 385 W 403 c ? -0.2 PHE 292 U 302 a ? -0.6 GLY 289 U 299 a ? -0.2 +2952 ASN 291 U 301 a ? ASN 288 U 298 a ? -0.1 PHE 292 U 302 a ? -0.1 PHE 290 U 300 a ? -0.1 SER 385 W 403 c ? -0.1 +2953 PHE 292 U 302 a ? PHE 290 U 300 a ? -0.6 ALA 308 U 318 a ? -0.1 SER 295 U 305 a ? -1.7 HIS 294 U 304 a ? -0.4 +2954 ASN 293 U 303 a ? GLU 395 W 413 c ? -0.3 HIS 294 U 304 a ? -0.3 ASN 397 W 415 c ? -1.5 ASN 291 U 301 a ? -0.1 +2955 HIS 294 U 304 a ? PHE 292 U 302 a ? -0.4 ILE 396 W 414 c ? -0.1 ASN 293 U 303 a ? -0.3 ASN 305 U 315 a ? -0.1 +2956 SER 295 U 305 a ? PHE 292 U 302 a ? -1.7 VAL 296 U 306 a ? -0.1 SER 38 AC 38 j ? -2.1 ILE 297 U 307 a ? -0.5 +2957 VAL 296 U 306 a ? PHE 292 U 302 a ? -0.3 ILE 304 U 314 a ? -0.3 ILE 304 U 314 a ? -2.1 ASP 298 U 308 a ? -0.3 +2958 ILE 297 U 307 a ? SER 295 U 305 a ? -0.5 VAL 303 U 313 a ? -0.2 VAL 303 U 313 a ? -0.2 GLY 36 AC 36 j ? -0.2 +2959 ASP 298 U 308 a ? ASN 302 U 312 a ? -2.0 VAL 296 U 306 a ? -0.3 ASP 48 Y 53 e ? -0.2 ARG 31 Z 45 f ? -0.1 +2960 ALA 299 U 309 a ? PRO 47 Y 52 e ? -2.6 ALA 1 AJ 1 v ? -0.3 LEU 3 AJ 3 v ? -0.5 GLU 2 AJ 2 v ? -0.2 +2961 LYS 300 U 310 a ? ALA 1 AJ 1 v ? -0.4 PRO 47 Y 52 e ? -0.4 ALA 299 U 309 a ? -0.2 GLU 2 AJ 2 v ? -0.1 +2962 GLY 301 U 311 a ? ASN 302 U 312 a ? -0.3 ALA 1 AJ 1 v ? -0.2 ALA 299 U 309 a ? -0.1 ILE 125 AJ 125 v ? -0.1 +2963 ASN 302 U 312 a ? VAL 303 U 313 a ? -0.1 ALA 1 AJ 1 v ? -0.1 ASP 298 U 308 a ? -2.0 ILE 304 U 314 a ? -0.5 +2964 VAL 303 U 313 a ? ILE 297 U 307 a ? -0.2 LEU 126 AJ 126 v ? -0.1 ASN 305 U 315 a ? -0.7 ILE 297 U 307 a ? -0.2 +2965 ILE 304 U 314 a ? VAL 296 U 306 a ? -2.1 ASN 302 U 312 a ? -0.5 VAL 296 U 306 a ? -0.3 ALA 53 X 64 d ? -0.1 +2966 ASN 305 U 315 a ? VAL 303 U 313 a ? -0.7 GLY 51 X 62 d ? -0.4 ALA 53 X 64 d ? -2.2 TRP 307 U 317 a ? -0.2 +2967 THR 306 U 316 a ? LEU 52 X 63 d ? -0.2 PHE 292 U 302 a ? -0.1 ILE 310 U 320 a ? -1.1 ASP 309 U 319 a ? -0.7 +2968 TRP 307 U 317 a ? THR 64 X 75 d ? -0.5 ALA 53 X 64 d ? -0.3 ILE 311 U 321 a ? -2.1 ASN 312 U 322 a ? -0.1 +2969 ALA 308 U 318 a ? ASP 309 U 319 a ? -0.2 ILE 310 U 320 a ? -0.2 ASN 312 U 322 a ? -1.7 TRP 307 U 317 a ? -0.2 +2970 ASP 309 U 319 a ? THR 306 U 316 a ? -0.7 ILE 311 U 321 a ? -0.2 ARG 313 U 323 a ? -1.3 ALA 308 U 318 a ? -0.2 +2971 ILE 310 U 320 a ? THR 306 U 316 a ? -1.1 ASN 312 U 322 a ? -0.2 ALA 314 U 324 a ? -1.8 ALA 308 U 318 a ? -0.2 +2972 ILE 311 U 321 a ? TRP 307 U 317 a ? -2.1 ASN 312 U 322 a ? -0.2 ASN 315 U 325 a ? -2.6 ASP 309 U 319 a ? -0.2 +2973 ASN 312 U 322 a ? ALA 308 U 318 a ? -1.7 ARG 313 U 323 a ? -0.2 LEU 316 U 326 a ? -2.5 ILE 311 U 321 a ? -0.2 +2974 ARG 313 U 323 a ? ASP 309 U 319 a ? -1.3 ASN 315 U 325 a ? -0.2 GLY 317 U 327 a ? -1.4 ASN 312 U 322 a ? -0.2 +2975 ALA 314 U 324 a ? ILE 310 U 320 a ? -1.8 LEU 316 U 326 a ? -0.2 MET 318 U 328 a ? -1.6 GLY 317 U 327 a ? -0.3 +2976 ASN 315 U 325 a ? ILE 311 U 321 a ? -2.6 LEU 316 U 326 a ? -0.2 GLU 319 U 329 a ? -2.4 MET 318 U 328 a ? -0.3 +2977 LEU 316 U 326 a ? ASN 312 U 322 a ? -2.5 GLY 317 U 327 a ? -0.2 VAL 320 U 330 a ? -2.6 ASN 315 U 325 a ? -0.2 +2978 GLY 317 U 327 a ? ARG 313 U 323 a ? -1.4 ALA 314 U 324 a ? -0.3 MET 321 U 331 a ? -0.8 ILE 314 X 325 d ? -0.2 +2979 MET 318 U 328 a ? ALA 314 U 324 a ? -1.6 ASN 315 U 325 a ? -0.3 HIS 322 U 332 a ? -1.8 LEU 316 U 326 a ? -0.2 +2980 GLU 319 U 329 a ? ASN 315 U 325 a ? -2.4 VAL 320 U 330 a ? -0.2 GLY 317 U 327 a ? -0.2 LEU 316 U 326 a ? -0.2 +2981 VAL 320 U 330 a ? LEU 316 U 326 a ? -2.6 MET 321 U 331 a ? -0.2 GLY 338 X 349 d ? -3.4 GLU 319 U 329 a ? -0.2 +2982 MET 321 U 331 a ? GLY 317 U 327 a ? -0.8 ARG 337 X 348 d ? -0.2 ARG 324 U 334 a ? -0.7 VAL 320 U 330 a ? -0.2 +2983 HIS 322 U 332 a ? MET 318 U 328 a ? -1.8 GLU 323 U 333 a ? -0.2 ALA 326 U 336 a ? -0.2 GLY 338 X 349 d ? -0.1 +2984 GLU 323 U 333 a ? ARG 324 U 334 a ? -0.2 ASN 325 U 335 a ? -0.1 ALA 326 U 336 a ? -2.3 HIS 327 U 337 a ? -0.3 +2985 ARG 324 U 334 a ? MET 321 U 331 a ? -0.7 ASN 325 U 335 a ? -0.3 ASN 339 X 350 d ? -3.3 GLU 323 U 333 a ? -0.2 +2986 ASN 325 U 335 a ? GLY 338 X 349 d ? -0.2 ALA 326 U 336 a ? -0.1 ARG 324 U 334 a ? -0.3 THR 317 W 335 c ? -0.2 +2987 ALA 326 U 336 a ? GLU 323 U 333 a ? -2.3 HIS 322 U 332 a ? -0.2 ASN 328 U 338 a ? -0.5 GLU 336 W 354 c ? -0.4 +2988 HIS 327 U 337 a ? GLU 323 U 333 a ? -0.3 ASN 339 X 350 d ? -0.2 LEU 341 X 352 d ? -0.2 GLY 335 W 353 c ? -0.1 +2989 ASN 328 U 338 a ? ALA 326 U 336 a ? -0.5 LEU 331 U 341 a ? -0.1 GLY 94 AI 101 u ? -0.2 ALA 340 X 351 d ? -0.1 +2990 PHE 329 U 339 a ? LEU 331 U 341 a ? -0.1 ASN 339 X 350 d ? -0.1 GLU 336 W 354 c ? -0.1 ALA 296 W 314 c ? -0.1 +2991 PRO 330 U 340 a ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 332 U 342 a ? -0.5 TYR 96 AI 103 u ? -0.1 +2992 LEU 331 U 341 a ? LYS 47 AJ 47 v ? -0.1 SER 292 W 310 c ? -0.1 LEU 333 U 343 a ? -1.4 PHE 329 U 339 a ? -0.1 +2993 ASP 332 U 342 a ? PRO 330 U 340 a ? -0.5 LEU 333 U 343 a ? -0.2 SER 292 W 310 c ? -0.0 HIS 327 U 337 a ? -0.0 +2994 LEU 333 U 343 a ? LEU 331 U 341 a ? -1.4 ALA 334 U 344 a ? -0.1 ASP 332 U 342 a ? -0.2 SER 292 W 310 c ? -0.1 +2995 ALA 334 U 344 a ? LEU 331 U 341 a ? -0.1 SER 292 W 310 c ? -0.1 ASP 332 U 342 a ? -0.1 LEU 333 U 343 a ? -0.1 +2996 GLY 1 V 2 b ? THR 220 U 230 a ? -0.1 GLN 7 AE 8 l ? -0.1 SER 222 U 232 a ? -0.4 VAL 9 AE 10 l ? -0.3 +2997 LEU 2 V 3 b ? PRO 8 AE 9 l ? -2.8 GLU 221 U 231 a ? -0.1 GLU 10 AE 11 l ? -2.5 GLU 221 U 231 a ? -0.1 +2998 PRO 3 V 4 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 6 V 7 b ? -2.0 VAL 7 V 8 b ? -0.3 +2999 TRP 4 V 5 b ? GLU 10 AE 11 l ? -0.4 TYR 5 V 6 b ? -0.3 VAL 7 V 8 b ? -1.0 HIS 8 V 9 b ? -0.2 +3000 TYR 5 V 6 b ? ARG 6 V 7 b ? -0.2 VAL 7 V 8 b ? -0.1 TRP 4 V 5 b ? -0.3 HIS 8 V 9 b ? -0.0 +3001 ARG 6 V 7 b ? PRO 3 V 4 b ? -2.0 THR 220 U 230 a ? -0.1 THR 9 V 10 b ? -2.1 TYR 5 V 6 b ? -0.2 +3002 VAL 7 V 8 b ? TRP 4 V 5 b ? -1.0 PRO 3 V 4 b ? -0.3 VAL 10 V 11 b ? -1.0 TYR 5 V 6 b ? -0.1 +3003 HIS 8 V 9 b ? THR 9 V 10 b ? -0.2 TRP 4 V 5 b ? -0.2 LEU 11 V 12 b ? -1.5 VAL 7 V 8 b ? -0.3 +3004 THR 9 V 10 b ? ARG 6 V 7 b ? -2.1 VAL 10 V 11 b ? -0.3 ILE 12 V 13 b ? -1.2 ASN 13 V 14 b ? -0.3 +3005 VAL 10 V 11 b ? VAL 7 V 8 b ? -1.0 LEU 11 V 12 b ? -0.2 THR 9 V 10 b ? -0.3 ASN 13 V 14 b ? -0.2 +3006 LEU 11 V 12 b ? HIS 8 V 9 b ? -1.5 ILE 12 V 13 b ? -0.1 ASP 14 V 15 b ? -1.9 LEU 18 V 19 b ? -0.3 +3007 ILE 12 V 13 b ? THR 9 V 10 b ? -1.2 ASN 13 V 14 b ? -0.3 ILE 233 V 234 b ? -0.2 LEU 11 V 12 b ? -0.1 +3008 ASN 13 V 14 b ? THR 9 V 10 b ? -0.3 VAL 10 V 11 b ? -0.2 ILE 12 V 13 b ? -0.3 LEU 11 V 12 b ? -0.1 +3009 ASP 14 V 15 b ? LEU 11 V 12 b ? -1.9 PRO 15 V 16 b ? -0.1 LEU 18 V 19 b ? -2.4 ARG 17 V 18 b ? -0.3 +3010 PRO 15 V 16 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 19 V 20 b ? -2.9 ALA 20 V 21 b ? -0.2 +3011 GLY 16 V 17 b ? TRP 117 V 118 b ? -0.5 ARG 17 V 18 b ? -0.2 ALA 20 V 21 b ? -1.9 ASP 118 V 119 b ? -0.1 +3012 ARG 17 V 18 b ? ASP 14 V 15 b ? -0.3 ILE 19 V 20 b ? -0.2 ALA 21 V 22 b ? -2.3 GLY 16 V 17 b ? -0.2 +3013 LEU 18 V 19 b ? ASP 14 V 15 b ? -2.4 LEU 11 V 12 b ? -0.3 HIS 22 V 23 b ? -2.5 GLY 16 V 17 b ? -0.2 +3014 ILE 19 V 20 b ? PRO 15 V 16 b ? -2.9 ALA 20 V 21 b ? -0.2 LEU 23 V 24 b ? -2.7 ARG 17 V 18 b ? -0.2 +3015 ALA 20 V 21 b ? GLY 16 V 17 b ? -1.9 HIS 113 V 114 b ? -0.2 MET 24 V 25 b ? -2.1 ILE 19 V 20 b ? -0.2 +3016 ALA 21 V 22 b ? ARG 17 V 18 b ? -2.3 LEU 23 V 24 b ? -0.2 HIS 25 V 26 b ? -2.3 ILE 19 V 20 b ? -0.2 +3017 HIS 22 V 23 b ? LEU 18 V 19 b ? -2.5 MET 24 V 25 b ? -0.2 THR 26 V 27 b ? -2.2 ALA 20 V 21 b ? -0.2 +3018 LEU 23 V 24 b ? ILE 19 V 20 b ? -2.7 LEU 18 V 19 b ? -0.2 ALA 27 V 28 b ? -2.5 ALA 21 V 22 b ? -0.2 +3019 MET 24 V 25 b ? ALA 20 V 21 b ? -2.1 THR 26 V 27 b ? -0.2 LEU 28 V 29 b ? -2.2 HIS 22 V 23 b ? -0.2 +3020 HIS 25 V 26 b ? ALA 21 V 22 b ? -2.3 THR 26 V 27 b ? -0.2 VAL 29 V 30 b ? -2.2 MET 24 V 25 b ? -0.2 +3021 THR 26 V 27 b ? HIS 22 V 23 b ? -2.2 ALA 27 V 28 b ? -0.2 ALA 30 V 31 b ? -2.4 GLY 31 V 32 b ? -0.3 +3022 ALA 27 V 28 b ? LEU 23 V 24 b ? -2.5 LEU 28 V 29 b ? -0.2 GLY 31 V 32 b ? -2.2 THR 26 V 27 b ? -0.2 +3023 LEU 28 V 29 b ? MET 24 V 25 b ? -2.2 ALA 30 V 31 b ? -0.2 TRP 32 V 33 b ? -2.1 THR 26 V 27 b ? -0.2 +3024 VAL 29 V 30 b ? HIS 25 V 26 b ? -2.2 GLY 31 V 32 b ? -0.2 ALA 33 V 34 b ? -2.1 ALA 27 V 28 b ? -0.2 +3025 ALA 30 V 31 b ? THR 26 V 27 b ? -2.4 TRP 32 V 33 b ? -0.2 GLY 34 V 35 b ? -2.1 VAL 29 V 30 b ? -0.2 +3026 GLY 31 V 32 b ? ALA 27 V 28 b ? -2.2 THR 26 V 27 b ? -0.3 SER 35 V 36 b ? -2.6 VAL 29 V 30 b ? -0.2 +3027 TRP 32 V 33 b ? LEU 28 V 29 b ? -2.1 GLY 34 V 35 b ? -0.2 MET 36 V 37 b ? -3.5 ALA 37 V 38 b ? -0.2 +3028 ALA 33 V 34 b ? VAL 29 V 30 b ? -2.1 GLY 34 V 35 b ? -0.2 ALA 37 V 38 b ? -2.1 GLY 31 V 32 b ? -0.2 +3029 GLY 34 V 35 b ? ALA 30 V 31 b ? -2.1 MET 36 V 37 b ? -0.2 LEU 38 V 39 b ? -2.4 TRP 32 V 33 b ? -0.2 +3030 SER 35 V 36 b ? GLY 31 V 32 b ? -2.6 MET 36 V 37 b ? -0.2 TYR 39 V 40 b ? -1.9 ALA 33 V 34 b ? -0.2 +3031 MET 36 V 37 b ? TRP 32 V 33 b ? -3.5 ALA 37 V 38 b ? -0.2 GLU 40 V 41 b ? -2.1 SER 35 V 36 b ? -0.2 +3032 ALA 37 V 38 b ? ALA 33 V 34 b ? -2.1 TRP 32 V 33 b ? -0.2 LEU 41 V 42 b ? -2.8 MET 36 V 37 b ? -0.2 +3033 LEU 38 V 39 b ? GLY 34 V 35 b ? -2.4 TYR 39 V 40 b ? -0.2 ALA 42 V 43 b ? -1.6 ALA 37 V 38 b ? -0.2 +3034 TYR 39 V 40 b ? SER 35 V 36 b ? -1.9 LEU 41 V 42 b ? -0.2 THR 43 V 44 b ? -0.5 LEU 38 V 39 b ? -0.2 +3035 GLU 40 V 41 b ? MET 36 V 37 b ? -2.1 LEU 41 V 42 b ? -0.2 PHE 44 V 45 b ? -2.0 THR 43 V 44 b ? -1.1 +3036 LEU 41 V 42 b ? ALA 37 V 38 b ? -2.8 ALA 42 V 43 b ? -0.3 GLU 40 V 41 b ? -0.2 TYR 39 V 40 b ? -0.2 +3037 ALA 42 V 43 b ? LEU 38 V 39 b ? -1.6 ALA 37 V 38 b ? -0.2 LEU 41 V 42 b ? -0.3 GLU 40 V 41 b ? -0.2 +3038 THR 43 V 44 b ? GLU 40 V 41 b ? -1.1 TYR 39 V 40 b ? -0.5 ASP 45 V 46 b ? -0.2 LEU 41 V 42 b ? -0.2 +3039 PHE 44 V 45 b ? GLU 40 V 41 b ? -2.0 TYR 39 V 40 b ? -0.1 MET 54 V 55 b ? -0.0 GLY 58 V 59 b ? -0.0 +3040 ASP 45 V 46 b ? THR 43 V 44 b ? -0.2 ASN 52 V 53 b ? -0.1 ASP 48 V 49 b ? -0.5 PHE 44 V 45 b ? -0.1 +3041 PRO 46 V 47 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 78 V 79 b ? -0.2 ASP 45 V 46 b ? -0.1 +3042 SER 47 V 48 b ? ASP 48 V 49 b ? -0.2 PRO 49 V 50 b ? -0.1 ILE 79 V 80 b ? -0.0 ASP 45 V 46 b ? -0.0 +3043 ASP 48 V 49 b ? ASP 45 V 46 b ? -0.5 ASN 52 V 53 b ? -0.3 ASN 52 V 53 b ? -1.5 SER 47 V 48 b ? -0.2 +3044 PRO 49 V 50 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 48 V 49 b ? -0.1 SER 47 V 48 b ? -0.1 +3045 VAL 50 V 51 b ? ASN 52 V 53 b ? -0.1 LEU 51 V 52 b ? -0.1 PHE 310 V 311 b ? -0.1 ASP 48 V 49 b ? -0.1 +3046 LEU 51 V 52 b ? ASN 52 V 53 b ? -0.2 ALA 336 V 337 b ? -0.1 ALA 336 V 337 b ? -0.5 VAL 50 V 51 b ? -0.1 +3047 ASN 52 V 53 b ? ASP 48 V 49 b ? -1.5 ILE 335 V 336 b ? -0.1 ASP 48 V 49 b ? -0.3 LEU 51 V 52 b ? -0.2 +3048 PRO 53 V 54 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 56 V 57 b ? -2.5 GLN 57 V 58 b ? -0.6 +3049 MET 54 V 55 b ? TRP 55 V 56 b ? -0.3 GLU 265 V 266 b ? -0.2 MET 59 V 60 b ? -1.6 GLN 57 V 58 b ? -1.5 +3050 TRP 55 V 56 b ? GLU 265 V 266 b ? -0.3 ARG 56 V 57 b ? -0.3 MET 54 V 55 b ? -0.3 MET 329 V 330 b ? -0.2 +3051 ARG 56 V 57 b ? PRO 53 V 54 b ? -2.5 GLN 57 V 58 b ? -0.1 ASN 330 V 331 b ? -1.8 MET 329 V 330 b ? -0.5 +3052 GLN 57 V 58 b ? MET 54 V 55 b ? -1.5 PRO 53 V 54 b ? -0.6 TRP 55 V 56 b ? -0.2 ARG 56 V 57 b ? -0.1 +3053 GLY 58 V 59 b ? MET 59 V 60 b ? -0.2 TRP 55 V 56 b ? -0.2 PHE 60 V 61 b ? -0.4 TRP 55 V 56 b ? -0.2 +3054 MET 59 V 60 b ? MET 54 V 55 b ? -1.6 PHE 60 V 61 b ? -0.2 GLY 58 V 59 b ? -0.2 GLN 57 V 58 b ? -0.1 +3055 PHE 60 V 61 b ? GLY 58 V 59 b ? -0.4 MET 36 V 37 b ? -0.1 PHE 64 V 65 b ? -0.2 MET 59 V 60 b ? -0.2 +3056 VAL 61 V 62 b ? PRO 63 V 64 b ? -0.1 MET 36 V 37 b ? -0.1 MET 65 V 66 b ? -1.6 PHE 64 V 65 b ? -0.8 +3057 LEU 62 V 63 b ? PRO 63 V 64 b ? -0.3 PHE 64 V 65 b ? -0.2 ALA 66 V 67 b ? -2.6 MET 65 V 66 b ? -0.3 +3058 PRO 63 V 64 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 67 V 68 b ? -2.5 LEU 62 V 63 b ? -0.3 +3059 PHE 64 V 65 b ? VAL 61 V 62 b ? -0.8 PHE 60 V 61 b ? -0.2 LEU 68 V 69 b ? -0.8 LEU 62 V 63 b ? -0.2 +3060 MET 65 V 66 b ? VAL 61 V 62 b ? -1.6 LEU 62 V 63 b ? -0.3 VAL 70 V 71 b ? -2.1 LEU 68 V 69 b ? -0.8 +3061 ALA 66 V 67 b ? LEU 62 V 63 b ? -2.6 ARG 67 V 68 b ? -0.2 GLY 69 V 70 b ? -1.6 PHE 64 V 65 b ? -0.2 +3062 ARG 67 V 68 b ? PRO 63 V 64 b ? -2.5 LEU 68 V 69 b ? -0.3 TRP 166 V 167 b ? -2.4 ALA 66 V 67 b ? -0.2 +3063 LEU 68 V 69 b ? MET 65 V 66 b ? -0.8 PHE 64 V 65 b ? -0.8 ARG 67 V 68 b ? -0.3 ALA 66 V 67 b ? -0.2 +3064 GLY 69 V 70 b ? ALA 66 V 67 b ? -1.6 MET 65 V 66 b ? -0.3 THR 71 V 72 b ? -1.0 ALA 66 V 67 b ? -0.2 +3065 VAL 70 V 71 b ? MET 65 V 66 b ? -2.1 THR 71 V 72 b ? -0.2 GLY 69 V 70 b ? -0.2 LEU 68 V 69 b ? -0.1 +3066 THR 71 V 72 b ? GLY 69 V 70 b ? -1.0 LEU 68 V 69 b ? -0.1 ILE 79 V 80 b ? -2.2 THR 80 V 81 b ? -0.3 +3067 GLY 72 V 73 b ? TRP 90 V 91 b ? -0.3 SER 78 V 79 b ? -0.2 PHE 92 V 93 b ? -2.1 TRP 74 V 75 b ? -0.4 +3068 SER 73 V 74 b ? TRP 77 V 78 b ? -2.7 THR 71 V 72 b ? -0.3 GLY 76 V 77 b ? -2.0 ILE 85 V 86 b ? -0.1 +3069 TRP 74 V 75 b ? GLY 72 V 73 b ? -0.4 SER 75 V 76 b ? -0.3 SER 73 V 74 b ? -0.1 GLY 88 V 89 b ? -0.0 +3070 SER 75 V 76 b ? TRP 77 V 78 b ? -0.1 ALA 108 M 111 O ? -0.1 GLY 109 M 112 O ? -1.8 GLY 110 M 113 O ? -0.4 +3071 GLY 76 V 77 b ? SER 73 V 74 b ? -2.0 TRP 77 V 78 b ? -0.3 GLY 84 V 85 b ? -1.2 ILE 85 V 86 b ? -1.2 +3072 TRP 77 V 78 b ? THR 83 V 84 b ? -0.2 GLY 84 V 85 b ? -0.2 SER 73 V 74 b ? -2.7 GLY 76 V 77 b ? -0.3 +3073 SER 78 V 79 b ? GLU 82 V 83 b ? -1.3 GLY 76 V 77 b ? -0.2 GLY 81 V 82 b ? -1.5 GLY 72 V 73 b ? -0.2 +3074 ILE 79 V 80 b ? THR 71 V 72 b ? -2.2 TRP 77 V 78 b ? -0.3 MET 54 V 55 b ? -0.1 GLY 72 V 73 b ? -0.1 +3075 THR 80 V 81 b ? THR 71 V 72 b ? -0.3 GLU 82 V 83 b ? -0.1 ILE 79 V 80 b ? -0.3 GLY 72 V 73 b ? -0.1 +3076 GLY 81 V 82 b ? SER 78 V 79 b ? -1.5 GLU 82 V 83 b ? -0.3 ILE 79 V 80 b ? -0.1 THR 83 V 84 b ? -0.1 +3077 GLU 82 V 83 b ? TRP 77 V 78 b ? -0.0 THR 83 V 84 b ? -0.0 SER 78 V 79 b ? -1.3 GLY 81 V 82 b ? -0.3 +3078 THR 83 V 84 b ? TRP 77 V 78 b ? -0.2 GLY 84 V 85 b ? -0.1 TRP 77 V 78 b ? -0.2 GLY 76 V 77 b ? -0.1 +3079 GLY 84 V 85 b ? GLY 76 V 77 b ? -1.2 GLU 82 V 83 b ? -0.3 TRP 77 V 78 b ? -0.2 ASP 86 V 87 b ? -0.1 +3080 ILE 85 V 86 b ? GLY 76 V 77 b ? -1.2 GLU 82 V 83 b ? -0.1 GLY 84 V 85 b ? -0.2 SER 73 V 74 b ? -0.1 +3081 ASP 86 V 87 b ? GLY 84 V 85 b ? -0.1 PRO 87 V 88 b ? -0.1 TRP 74 V 75 b ? -0.1 PHE 89 V 90 b ? -0.1 +3082 PRO 87 V 88 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TRP 90 V 91 b ? -0.3 GLY 72 V 73 b ? -0.1 +3083 GLY 88 V 89 b ? PHE 89 V 90 b ? -0.2 SER 73 V 74 b ? -0.1 SER 91 V 92 b ? -0.2 GLY 94 V 95 b ? -0.2 +3084 PHE 89 V 90 b ? TRP 90 V 91 b ? -0.2 PRO 87 V 88 b ? -0.1 SER 91 V 92 b ? -2.5 GLY 94 V 95 b ? -0.3 +3085 TRP 90 V 91 b ? PRO 87 V 88 b ? -0.3 GLY 94 V 95 b ? -0.2 GLY 72 V 73 b ? -0.3 PHE 89 V 90 b ? -0.2 +3086 SER 91 V 92 b ? PHE 89 V 90 b ? -2.5 GLY 88 V 89 b ? -0.2 VAL 95 V 96 b ? -3.0 ALA 96 V 97 b ? -0.3 +3087 PHE 92 V 93 b ? GLY 72 V 73 b ? -2.1 GLU 93 V 94 b ? -0.2 ALA 96 V 97 b ? -2.3 LEU 97 V 98 b ? -0.1 +3088 GLU 93 V 94 b ? GLY 72 V 73 b ? -0.2 VAL 95 V 96 b ? -0.2 LEU 97 V 98 b ? -2.9 PHE 92 V 93 b ? -0.2 +3089 GLY 94 V 95 b ? PHE 89 V 90 b ? -0.3 VAL 95 V 96 b ? -0.2 ALA 98 V 99 b ? -2.5 PHE 92 V 93 b ? -0.2 +3090 VAL 95 V 96 b ? SER 91 V 92 b ? -3.0 LEU 97 V 98 b ? -0.2 HIS 99 V 100 b ? -1.7 GLY 94 V 95 b ? -0.2 +3091 ALA 96 V 97 b ? PHE 92 V 93 b ? -2.3 SER 91 V 92 b ? -0.3 ILE 100 V 101 b ? -1.8 GLY 94 V 95 b ? -0.2 +3092 LEU 97 V 98 b ? GLU 93 V 94 b ? -2.9 ALA 98 V 99 b ? -0.2 VAL 101 V 102 b ? -2.6 VAL 95 V 96 b ? -0.2 +3093 ALA 98 V 99 b ? GLY 94 V 95 b ? -2.5 HIS 99 V 100 b ? -0.2 LEU 102 V 103 b ? -2.6 LEU 97 V 98 b ? -0.2 +3094 HIS 99 V 100 b ? VAL 95 V 96 b ? -1.7 ALA 96 V 97 b ? -0.2 SER 103 V 104 b ? -2.4 ALA 98 V 99 b ? -0.2 +3095 ILE 100 V 101 b ? ALA 96 V 97 b ? -1.8 LEU 102 V 103 b ? -0.2 GLY 104 V 105 b ? -1.9 ALA 98 V 99 b ? -0.2 +3096 VAL 101 V 102 b ? LEU 97 V 98 b ? -2.6 SER 103 V 104 b ? -0.2 LEU 105 V 106 b ? -2.2 LEU 106 V 107 b ? -0.2 +3097 LEU 102 V 103 b ? ALA 98 V 99 b ? -2.6 SER 103 V 104 b ? -0.2 LEU 106 V 107 b ? -2.6 PHE 107 V 108 b ? -0.2 +3098 SER 103 V 104 b ? HIS 99 V 100 b ? -2.4 GLY 104 V 105 b ? -0.2 PHE 107 V 108 b ? -1.9 LEU 102 V 103 b ? -0.2 +3099 GLY 104 V 105 b ? ILE 100 V 101 b ? -1.9 LEU 105 V 106 b ? -0.2 LEU 108 V 109 b ? -2.1 SER 103 V 104 b ? -0.2 +3100 LEU 105 V 106 b ? VAL 101 V 102 b ? -2.2 LEU 106 V 107 b ? -0.2 ALA 109 V 110 b ? -2.0 GLY 104 V 105 b ? -0.2 +3101 LEU 106 V 107 b ? LEU 102 V 103 b ? -2.6 VAL 101 V 102 b ? -0.2 ALA 110 V 111 b ? -2.1 LEU 105 V 106 b ? -0.2 +3102 PHE 107 V 108 b ? SER 103 V 104 b ? -1.9 LEU 102 V 103 b ? -0.2 CYS 111 V 112 b ? -1.7 LEU 105 V 106 b ? -0.2 +3103 LEU 108 V 109 b ? GLY 104 V 105 b ? -2.1 ALA 109 V 110 b ? -0.2 TRP 112 V 113 b ? -1.8 PHE 107 V 108 b ? -0.2 +3104 ALA 109 V 110 b ? LEU 105 V 106 b ? -2.0 ALA 110 V 111 b ? -0.2 HIS 113 V 114 b ? -2.3 LEU 108 V 109 b ? -0.2 +3105 ALA 110 V 111 b ? LEU 106 V 107 b ? -2.1 CYS 111 V 112 b ? -0.2 TRP 114 V 115 b ? -1.9 ALA 109 V 110 b ? -0.2 +3106 CYS 111 V 112 b ? PHE 107 V 108 b ? -1.7 HIS 113 V 114 b ? -0.2 VAL 115 V 116 b ? -2.4 TYR 116 V 117 b ? -0.2 +3107 TRP 112 V 113 b ? LEU 108 V 109 b ? -1.8 HIS 113 V 114 b ? -0.2 TYR 116 V 117 b ? -3.1 CYS 111 V 112 b ? -0.2 +3108 HIS 113 V 114 b ? ALA 109 V 110 b ? -2.3 TRP 114 V 115 b ? -0.2 TRP 112 V 113 b ? -0.2 ALA 20 V 21 b ? -0.2 +3109 TRP 114 V 115 b ? ALA 110 V 111 b ? -1.9 ALA 109 V 110 b ? -0.2 TRP 117 V 118 b ? -0.5 HIS 113 V 114 b ? -0.2 +3110 VAL 115 V 116 b ? CYS 111 V 112 b ? -2.4 TYR 116 V 117 b ? -0.2 TRP 117 V 118 b ? -1.0 ASP 118 V 119 b ? -0.3 +3111 TYR 116 V 117 b ? TRP 112 V 113 b ? -3.1 CYS 111 V 112 b ? -0.2 VAL 115 V 116 b ? -0.2 LEU 119 V 120 b ? -0.2 +3112 TRP 117 V 118 b ? VAL 115 V 116 b ? -1.0 TRP 114 V 115 b ? -0.5 LEU 119 V 120 b ? -1.3 GLY 16 V 17 b ? -0.5 +3113 ASP 118 V 119 b ? VAL 115 V 116 b ? -0.3 GLY 16 V 17 b ? -0.1 ARG 2 AA 3 h ? -1.4 GLU 120 V 121 b ? -0.3 +3114 LEU 119 V 120 b ? TRP 117 V 118 b ? -1.3 ALA 1 AA 2 h ? -0.2 PHE 122 V 123 b ? -1.8 ARG 123 V 124 b ? -0.3 +3115 GLU 120 V 121 b ? ARG 2 AA 3 h ? -1.7 ASP 118 V 119 b ? -0.3 ARG 123 V 124 b ? -1.8 ARG 3 AA 4 h ? -0.1 +3116 LEU 121 V 122 b ? ARG 2 AA 3 h ? -0.4 PHE 122 V 123 b ? -0.3 GLU 120 V 121 b ? -0.3 ALA 131 V 132 b ? -0.1 +3117 PHE 122 V 123 b ? LEU 119 V 120 b ? -1.8 TRP 117 V 118 b ? -0.1 ALA 131 V 132 b ? -2.8 ASP 124 V 125 b ? -0.3 +3118 ARG 123 V 124 b ? GLU 120 V 121 b ? -1.8 LEU 119 V 120 b ? -0.3 ASN 14 AA 15 h ? -0.1 GLU 129 V 130 b ? -0.1 +3119 ASP 124 V 125 b ? GLU 129 V 130 b ? -2.8 PHE 122 V 123 b ? -0.3 GLY 128 V 129 b ? -2.4 GLU 129 V 130 b ? -0.1 +3120 PRO 125 V 126 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 124 V 125 b ? -0.1 SER 15 AA 16 h ? -0.1 +3121 ARG 126 V 127 b ? SER 15 AA 16 h ? -0.1 GLU 129 V 130 b ? -0.1 SER 15 AA 16 h ? -0.0 ARG 123 V 124 b ? -0.0 +3122 THR 127 V 128 b ? GLU 129 V 130 b ? -0.2 GLY 128 V 129 b ? -0.0 ARG 126 V 127 b ? -0.1 ARG 123 V 124 b ? -0.0 +3123 GLY 128 V 129 b ? ASP 124 V 125 b ? -2.4 GLU 129 V 130 b ? -0.3 ALA 131 V 132 b ? -0.1 ALA 1 AA 2 h ? -0.0 +3124 GLU 129 V 130 b ? ASP 124 V 125 b ? -0.1 PRO 130 V 131 b ? -0.1 ASP 124 V 125 b ? -2.8 GLY 128 V 129 b ? -0.3 +3125 PRO 130 V 131 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 132 V 133 b ? -0.3 ARG 123 V 124 b ? -0.3 +3126 ALA 131 V 132 b ? PHE 122 V 123 b ? -2.8 ASN 14 AA 15 h ? -0.1 ASP 133 V 134 b ? -0.4 TYR 17 AA 18 h ? -0.1 +3127 LEU 132 V 133 b ? PRO 130 V 131 b ? -0.3 GLY 231 V 232 b ? -0.2 LEU 134 V 135 b ? -1.7 ASN 14 AA 15 h ? -0.1 +3128 ASP 133 V 134 b ? ALA 131 V 132 b ? -0.4 LEU 134 V 135 b ? -0.2 MET 137 V 138 b ? -2.5 LYS 136 V 137 b ? -0.5 +3129 LEU 134 V 135 b ? LEU 132 V 133 b ? -1.7 MET 230 V 231 b ? -0.3 PHE 138 V 139 b ? -2.3 ASP 133 V 134 b ? -0.2 +3130 PRO 135 V 136 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 139 V 140 b ? -1.4 LEU 134 V 135 b ? -0.2 +3131 LYS 136 V 137 b ? ASP 133 V 134 b ? -0.5 PHE 138 V 139 b ? -0.2 ILE 140 V 141 b ? -2.5 LEU 134 V 135 b ? -0.2 +3132 MET 137 V 138 b ? ASP 133 V 134 b ? -2.5 PHE 138 V 139 b ? -0.2 HIS 141 V 142 b ? -2.6 LEU 142 V 143 b ? -0.2 +3133 PHE 138 V 139 b ? LEU 134 V 135 b ? -2.3 ILE 140 V 141 b ? -0.2 LEU 142 V 143 b ? -2.9 MET 137 V 138 b ? -0.2 +3134 GLY 139 V 140 b ? PRO 135 V 136 b ? -1.4 HIS 215 V 216 b ? -0.5 PHE 143 V 144 b ? -2.5 ILE 216 V 217 b ? -0.3 +3135 ILE 140 V 141 b ? LYS 136 V 137 b ? -2.5 HIS 141 V 142 b ? -0.2 LEU 144 V 145 b ? -2.0 PHE 138 V 139 b ? -0.2 +3136 HIS 141 V 142 b ? MET 137 V 138 b ? -2.6 LEU 142 V 143 b ? -0.2 ALA 145 V 146 b ? -2.4 ILE 140 V 141 b ? -0.2 +3137 LEU 142 V 143 b ? PHE 138 V 139 b ? -2.9 LEU 144 V 145 b ? -0.2 GLY 146 V 147 b ? -2.6 GLY 212 V 213 b ? -0.2 +3138 PHE 143 V 144 b ? GLY 139 V 140 b ? -2.5 LEU 144 V 145 b ? -0.2 LEU 147 V 148 b ? -2.4 HIS 141 V 142 b ? -0.2 +3139 LEU 144 V 145 b ? ILE 140 V 141 b ? -2.0 GLY 146 V 147 b ? -0.2 LEU 148 V 149 b ? -2.5 PHE 143 V 144 b ? -0.2 +3140 ALA 145 V 146 b ? HIS 141 V 142 b ? -2.4 LEU 147 V 148 b ? -0.2 CYS 149 V 150 b ? -3.1 PHE 143 V 144 b ? -0.2 +3141 GLY 146 V 147 b ? LEU 142 V 143 b ? -2.6 GLY 208 V 209 b ? -0.3 PHE 150 V 151 b ? -3.5 GLY 151 V 152 b ? -0.3 +3142 LEU 147 V 148 b ? PHE 143 V 144 b ? -2.4 LEU 148 V 149 b ? -0.2 GLY 151 V 152 b ? -2.7 ALA 145 V 146 b ? -0.2 +3143 LEU 148 V 149 b ? LEU 144 V 145 b ? -2.5 PHE 150 V 151 b ? -0.2 PHE 152 V 153 b ? -2.7 GLY 153 V 154 b ? -0.2 +3144 CYS 149 V 150 b ? ALA 145 V 146 b ? -3.1 GLY 151 V 152 b ? -0.2 GLY 153 V 154 b ? -2.3 LEU 147 V 148 b ? -0.2 +3145 PHE 150 V 151 b ? GLY 146 V 147 b ? -3.5 GLY 151 V 152 b ? -0.2 ALA 154 V 155 b ? -3.6 PHE 155 V 156 b ? -0.2 +3146 GLY 151 V 152 b ? LEU 147 V 148 b ? -2.7 GLY 146 V 147 b ? -0.3 PHE 155 V 156 b ? -2.1 HIS 156 V 157 b ? -1.1 +3147 PHE 152 V 153 b ? LEU 148 V 149 b ? -2.7 PHE 155 V 156 b ? -0.2 LEU 157 V 158 b ? -2.3 HIS 156 V 157 b ? -0.5 +3148 GLY 153 V 154 b ? CYS 149 V 150 b ? -2.3 LEU 148 V 149 b ? -0.2 THR 158 V 159 b ? -0.8 GLY 151 V 152 b ? -0.2 +3149 ALA 154 V 155 b ? PHE 150 V 151 b ? -3.6 CYS 149 V 150 b ? -0.2 LEU 160 V 161 b ? -0.3 GLY 151 V 152 b ? -0.2 +3150 PHE 155 V 156 b ? GLY 151 V 152 b ? -2.1 PHE 150 V 151 b ? -0.2 PHE 161 V 162 b ? -2.1 GLY 159 V 160 b ? -0.8 +3151 HIS 156 V 157 b ? GLY 151 V 152 b ? -1.1 PHE 152 V 153 b ? -0.5 GLY 164 V 165 b ? -1.8 GLY 159 V 160 b ? -0.3 +3152 LEU 157 V 158 b ? PHE 152 V 153 b ? -2.3 THR 158 V 159 b ? -0.2 VAL 180 V 181 b ? -2.0 MET 165 V 166 b ? -0.3 +3153 THR 158 V 159 b ? GLY 153 V 154 b ? -0.8 PHE 152 V 153 b ? -0.3 LEU 157 V 158 b ? -0.2 HIS 156 V 157 b ? -0.2 +3154 GLY 159 V 160 b ? PHE 155 V 156 b ? -0.8 HIS 156 V 157 b ? -0.3 GLY 162 V 163 b ? -0.7 HIS 156 V 157 b ? -0.1 +3155 LEU 160 V 161 b ? ALA 154 V 155 b ? -0.3 PHE 161 V 162 b ? -0.3 PHE 155 V 156 b ? -0.1 HIS 156 V 157 b ? -0.1 +3156 PHE 161 V 162 b ? PHE 155 V 156 b ? -2.1 ALA 154 V 155 b ? -0.0 LEU 160 V 161 b ? -0.3 GLY 159 V 160 b ? -0.1 +3157 GLY 162 V 163 b ? GLY 159 V 160 b ? -0.7 LEU 160 V 161 b ? -0.1 GLY 69 V 70 b ? -0.1 HIS 156 V 157 b ? -0.1 +3158 PRO 163 V 164 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? MET 165 V 166 b ? -0.3 LEU 157 V 158 b ? -0.1 +3159 GLY 164 V 165 b ? HIS 156 V 157 b ? -1.8 LEU 68 V 69 b ? -0.2 TRP 166 V 167 b ? -0.3 THR 158 V 159 b ? -0.1 +3160 MET 165 V 166 b ? GLN 178 V 179 b ? -2.1 PRO 163 V 164 b ? -0.3 GLN 178 V 179 b ? -2.2 LEU 68 V 69 b ? -0.2 +3161 TRP 166 V 167 b ? ARG 67 V 68 b ? -2.4 GLY 164 V 165 b ? -0.3 SER 168 V 169 b ? -0.3 VAL 177 V 178 b ? -0.2 +3162 VAL 167 V 168 b ? SER 176 V 177 b ? -2.4 MET 165 V 166 b ? -0.1 SER 176 V 177 b ? -2.1 ASP 169 V 170 b ? -0.3 +3163 SER 168 V 169 b ? TRP 166 V 167 b ? -0.3 GLY 175 V 176 b ? -0.2 GLY 175 V 176 b ? -0.1 VAL 177 V 178 b ? -0.0 +3164 ASP 169 V 170 b ? VAL 167 V 168 b ? -0.3 LEU 64 AA 65 h ? -0.2 GLY 172 V 173 b ? -2.0 GLY 175 V 176 b ? -0.1 +3165 PRO 170 V 171 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 169 V 170 b ? -0.1 TRP 61 AA 62 h ? -0.1 +3166 TYR 171 V 172 b ? TRP 61 AA 62 h ? -0.1 LYS 62 AA 63 h ? -0.0 TYR 311 V 312 b ? -0.1 LYS 62 AA 63 h ? -0.0 +3167 GLY 172 V 173 b ? ASP 169 V 170 b ? -2.0 LEU 173 V 174 b ? -0.1 GLY 175 V 176 b ? -0.1 SER 168 V 169 b ? -0.0 +3168 LEU 173 V 174 b ? THR 174 V 175 b ? -0.1 ASP 169 V 170 b ? -0.0 GLY 172 V 173 b ? -0.1 LYS 307 V 308 b ? -0.1 +3169 THR 174 V 175 b ? SER 176 V 177 b ? -0.0 ASP 169 V 170 b ? -0.0 LEU 173 V 174 b ? -0.1 VAL 167 V 168 b ? -0.1 +3170 GLY 175 V 176 b ? SER 168 V 169 b ? -0.1 ASP 169 V 170 b ? -0.1 VAL 177 V 178 b ? -0.3 SER 168 V 169 b ? -0.2 +3171 SER 176 V 177 b ? VAL 167 V 168 b ? -2.1 MET 165 V 166 b ? -0.1 VAL 167 V 168 b ? -2.4 GLN 178 V 179 b ? -0.5 +3172 VAL 177 V 178 b ? GLY 175 V 176 b ? -0.3 TRP 166 V 167 b ? -0.2 TRP 166 V 167 b ? -0.2 GLY 164 V 165 b ? -0.1 +3173 GLN 178 V 179 b ? MET 165 V 166 b ? -2.2 SER 176 V 177 b ? -0.5 MET 165 V 166 b ? -2.1 GLY 159 V 160 b ? -0.1 +3174 PRO 179 V 180 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 181 V 182 b ? -0.4 THR 158 V 159 b ? -0.2 +3175 VAL 180 V 181 b ? LEU 157 V 158 b ? -2.0 PRO 194 V 195 b ? -0.1 GLY 164 V 165 b ? -0.1 GLY 159 V 160 b ? -0.0 +3176 ALA 181 V 182 b ? PRO 179 V 180 b ? -0.4 PRO 182 V 183 b ? -0.1 VAL 198 V 199 b ? -0.2 ALA 199 V 200 b ? -0.2 +3177 PRO 182 V 183 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TRP 184 V 185 b ? -0.6 GLY 196 V 197 b ? -0.2 +3178 GLU 183 V 184 b ? GLY 195 V 196 b ? -1.6 TRP 184 V 185 b ? -0.1 ALA 199 V 200 b ? -0.1 ASN 193 V 194 b ? -0.0 +3179 TRP 184 V 185 b ? PRO 182 V 183 b ? -0.6 ASP 187 V 188 b ? -0.1 GLU 183 V 184 b ? -0.1 GLY 196 V 197 b ? -0.0 +3180 GLY 185 V 186 b ? PRO 186 V 187 b ? -0.0 GLY 188 V 189 b ? -0.0 GLY 188 V 189 b ? -1.7 PHE 189 V 190 b ? -0.2 +3181 PRO 186 V 187 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 189 V 190 b ? -1.3 LEU 54 AA 55 h ? -0.1 +3182 ASP 187 V 188 b ? GLY 188 V 189 b ? -0.3 PHE 189 V 190 b ? -0.2 ASN 190 V 191 b ? -1.9 GLY 196 V 197 b ? -0.2 +3183 GLY 188 V 189 b ? GLY 185 V 186 b ? -1.7 PHE 189 V 190 b ? -0.3 ASP 187 V 188 b ? -0.3 HIS 200 V 201 b ? -0.2 +3184 PHE 189 V 190 b ? PRO 186 V 187 b ? -1.3 GLY 185 V 186 b ? -0.2 GLY 188 V 189 b ? -0.3 ASP 187 V 188 b ? -0.2 +3185 ASN 190 V 191 b ? ASP 187 V 188 b ? -1.9 PRO 191 V 192 b ? -0.1 ASN 193 V 194 b ? -2.3 GLY 196 V 197 b ? -0.2 +3186 PRO 191 V 192 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 260 V 261 b ? -2.6 THR 261 V 262 b ? -0.3 +3187 TYR 192 V 193 b ? SER 259 V 260 b ? -0.3 ALA 260 V 261 b ? -0.1 GLY 195 V 196 b ? -0.1 SER 259 V 260 b ? -0.1 +3188 ASN 193 V 194 b ? ASN 190 V 191 b ? -2.3 ASP 187 V 188 b ? -0.2 GLY 196 V 197 b ? -0.9 VAL 197 V 198 b ? -0.6 +3189 PRO 194 V 195 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 198 V 199 b ? -1.3 VAL 197 V 198 b ? -1.2 +3190 GLY 195 V 196 b ? GLY 196 V 197 b ? -0.3 VAL 197 V 198 b ? -0.2 ALA 199 V 200 b ? -2.4 GLU 183 V 184 b ? -1.6 +3191 GLY 196 V 197 b ? ASN 193 V 194 b ? -0.9 ASP 187 V 188 b ? -0.2 HIS 200 V 201 b ? -2.4 GLY 195 V 196 b ? -0.3 +3192 VAL 197 V 198 b ? PRO 194 V 195 b ? -1.2 ASN 193 V 194 b ? -0.6 HIS 201 V 202 b ? -1.5 GLY 195 V 196 b ? -0.2 +3193 VAL 198 V 199 b ? PRO 194 V 195 b ? -1.3 ALA 181 V 182 b ? -0.2 ILE 202 V 203 b ? -1.9 GLY 196 V 197 b ? -0.2 +3194 ALA 199 V 200 b ? GLY 195 V 196 b ? -2.4 HIS 200 V 201 b ? -0.2 ALA 203 V 204 b ? -2.7 ALA 204 V 205 b ? -0.3 +3195 HIS 200 V 201 b ? GLY 196 V 197 b ? -2.4 HIS 201 V 202 b ? -0.2 ALA 204 V 205 b ? -2.9 GLY 205 V 206 b ? -0.3 +3196 HIS 201 V 202 b ? VAL 197 V 198 b ? -1.5 VAL 198 V 199 b ? -0.2 GLY 205 V 206 b ? -1.9 HIS 200 V 201 b ? -0.2 +3197 ILE 202 V 203 b ? VAL 198 V 199 b ? -1.9 ALA 204 V 205 b ? -0.2 ILE 206 V 207 b ? -1.8 HIS 200 V 201 b ? -0.2 +3198 ALA 203 V 204 b ? ALA 199 V 200 b ? -2.7 ALA 204 V 205 b ? -0.2 VAL 207 V 208 b ? -2.0 HIS 201 V 202 b ? -0.2 +3199 ALA 204 V 205 b ? HIS 200 V 201 b ? -2.9 ALA 199 V 200 b ? -0.3 GLY 208 V 209 b ? -2.1 ALA 203 V 204 b ? -0.2 +3200 GLY 205 V 206 b ? HIS 201 V 202 b ? -1.9 HIS 200 V 201 b ? -0.3 ILE 209 V 210 b ? -2.1 ALA 204 V 205 b ? -0.2 +3201 ILE 206 V 207 b ? ILE 202 V 203 b ? -1.8 VAL 207 V 208 b ? -0.2 ILE 210 V 211 b ? -2.4 ALA 204 V 205 b ? -0.2 +3202 VAL 207 V 208 b ? ALA 203 V 204 b ? -2.0 GLY 208 V 209 b ? -0.2 ALA 211 V 212 b ? -3.0 GLY 212 V 213 b ? -0.3 +3203 GLY 208 V 209 b ? ALA 204 V 205 b ? -2.1 ILE 210 V 211 b ? -0.2 GLY 212 V 213 b ? -2.6 GLY 146 V 147 b ? -0.3 +3204 ILE 209 V 210 b ? GLY 205 V 206 b ? -2.1 ALA 211 V 212 b ? -0.2 LEU 213 V 214 b ? -2.9 VAL 207 V 208 b ? -0.2 +3205 ILE 210 V 211 b ? ILE 206 V 207 b ? -2.4 ALA 211 V 212 b ? -0.2 PHE 214 V 215 b ? -2.6 GLY 208 V 209 b ? -0.2 +3206 ALA 211 V 212 b ? VAL 207 V 208 b ? -3.0 LEU 213 V 214 b ? -0.2 HIS 215 V 216 b ? -2.7 ILE 210 V 211 b ? -0.2 +3207 GLY 212 V 213 b ? GLY 208 V 209 b ? -2.6 VAL 207 V 208 b ? -0.3 ILE 216 V 217 b ? -1.2 ILE 210 V 211 b ? -0.2 +3208 LEU 213 V 214 b ? ILE 209 V 210 b ? -2.9 PHE 214 V 215 b ? -0.2 LEU 217 V 218 b ? -2.1 ILE 216 V 217 b ? -0.6 +3209 PHE 214 V 215 b ? ILE 210 V 211 b ? -2.6 HIS 215 V 216 b ? -0.2 VAL 218 V 219 b ? -2.3 LEU 213 V 214 b ? -0.2 +3210 HIS 215 V 216 b ? ALA 211 V 212 b ? -2.7 ILE 216 V 217 b ? -0.2 GLY 139 V 140 b ? -0.5 PHE 214 V 215 b ? -0.2 +3211 ILE 216 V 217 b ? GLY 212 V 213 b ? -1.2 LEU 213 V 214 b ? -0.6 HIS 215 V 216 b ? -0.2 PHE 214 V 215 b ? -0.2 +3212 LEU 217 V 218 b ? LEU 213 V 214 b ? -2.1 GLY 212 V 213 b ? -0.2 ARG 219 V 220 b ? -0.6 HIS 215 V 216 b ? -0.2 +3213 VAL 218 V 219 b ? PHE 214 V 215 b ? -2.3 LEU 213 V 214 b ? -0.2 LEU 217 V 218 b ? -0.1 ALA 21 AA 22 h ? -0.0 +3214 ARG 219 V 220 b ? LEU 217 V 218 b ? -0.6 PRO 220 V 221 b ? -0.1 VAL 20 AA 21 h ? -0.1 GLN 222 V 223 b ? -0.1 +3215 PRO 220 V 221 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 21 AA 22 h ? -2.6 ARG 219 V 220 b ? -0.1 +3216 PRO 221 V 222 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 225 V 226 b ? -2.9 LEU 224 V 225 b ? -0.4 +3217 GLN 222 V 223 b ? ALA 21 AA 22 h ? -2.6 ARG 223 V 224 b ? -0.2 LYS 226 V 227 b ? -2.5 ALA 227 V 228 b ? -0.2 +3218 ARG 223 V 224 b ? GLY 23 AA 24 h ? -2.1 LEU 224 V 225 b ? -0.2 ALA 227 V 228 b ? -1.8 GLN 222 V 223 b ? -0.2 +3219 LEU 224 V 225 b ? PRO 221 V 222 b ? -0.4 GLY 23 AA 24 h ? -0.4 LEU 228 V 229 b ? -2.4 ARG 223 V 224 b ? -0.2 +3220 TYR 225 V 226 b ? PRO 221 V 222 b ? -2.9 LYS 226 V 227 b ? -0.2 MET 230 V 231 b ? -2.1 ARG 229 V 230 b ? -0.7 +3221 LYS 226 V 227 b ? GLN 222 V 223 b ? -2.5 PRO 221 V 222 b ? -0.2 ARG 229 V 230 b ? -0.4 LEU 224 V 225 b ? -0.2 +3222 ALA 227 V 228 b ? ARG 223 V 224 b ? -1.8 LEU 228 V 229 b ? -0.2 TYR 225 V 226 b ? -0.2 LYS 226 V 227 b ? -0.2 +3223 LEU 228 V 229 b ? LEU 224 V 225 b ? -2.4 ARG 223 V 224 b ? -0.1 ALA 227 V 228 b ? -0.2 LYS 226 V 227 b ? -0.2 +3224 ARG 229 V 230 b ? TYR 225 V 226 b ? -0.7 LYS 226 V 227 b ? -0.4 ASN 232 V 233 b ? -2.3 THR 235 V 236 b ? -0.4 +3225 MET 230 V 231 b ? TYR 225 V 226 b ? -2.1 GLY 231 V 232 b ? -0.3 LEU 134 V 135 b ? -0.3 GLY 18 AA 19 h ? -0.1 +3226 GLY 231 V 232 b ? TYR 225 V 226 b ? -0.4 ASN 232 V 233 b ? -0.1 ILE 233 V 234 b ? -0.6 MET 230 V 231 b ? -0.3 +3227 ASN 232 V 233 b ? ARG 229 V 230 b ? -2.3 ILE 233 V 234 b ? -0.1 THR 235 V 236 b ? -2.6 VAL 236 V 237 b ? -0.6 +3228 ILE 233 V 234 b ? GLY 231 V 232 b ? -0.6 GLU 234 V 235 b ? -0.3 LEU 237 V 238 b ? -1.4 VAL 236 V 237 b ? -0.4 +3229 GLU 234 V 235 b ? THR 235 V 236 b ? -0.2 VAL 236 V 237 b ? -0.2 SER 238 V 239 b ? -2.4 ILE 233 V 234 b ? -0.3 +3230 THR 235 V 236 b ? ASN 232 V 233 b ? -2.6 ARG 229 V 230 b ? -0.4 SER 239 V 240 b ? -2.3 SER 240 V 241 b ? -0.2 +3231 VAL 236 V 237 b ? ASN 232 V 233 b ? -0.6 ILE 233 V 234 b ? -0.4 SER 240 V 241 b ? -3.0 ILE 241 V 242 b ? -0.2 +3232 LEU 237 V 238 b ? ILE 233 V 234 b ? -1.4 SER 239 V 240 b ? -0.2 ILE 241 V 242 b ? -2.7 ALA 242 V 243 b ? -0.2 +3233 SER 238 V 239 b ? GLU 234 V 235 b ? -2.4 HIS 468 V 469 b ? -0.2 ALA 242 V 243 b ? -1.6 VAL 236 V 237 b ? -0.2 +3234 SER 239 V 240 b ? THR 235 V 236 b ? -2.3 ILE 241 V 242 b ? -0.2 ALA 243 V 244 b ? -2.0 SER 238 V 239 b ? -0.2 +3235 SER 240 V 241 b ? VAL 236 V 237 b ? -3.0 THR 235 V 236 b ? -0.2 VAL 244 V 245 b ? -2.4 SER 238 V 239 b ? -0.2 +3236 ILE 241 V 242 b ? LEU 237 V 238 b ? -2.7 VAL 236 V 237 b ? -0.2 PHE 245 V 246 b ? -2.0 PHE 246 V 247 b ? -0.2 +3237 ALA 242 V 243 b ? SER 238 V 239 b ? -1.6 LEU 237 V 238 b ? -0.2 PHE 246 V 247 b ? -1.8 SER 240 V 241 b ? -0.2 +3238 ALA 243 V 244 b ? SER 239 V 240 b ? -2.0 VAL 244 V 245 b ? -0.2 ALA 247 V 248 b ? -2.4 ALA 242 V 243 b ? -0.2 +3239 VAL 244 V 245 b ? SER 240 V 241 b ? -2.4 PHE 246 V 247 b ? -0.2 ALA 248 V 249 b ? -2.6 ALA 242 V 243 b ? -0.2 +3240 PHE 245 V 246 b ? ILE 241 V 242 b ? -2.0 ALA 247 V 248 b ? -0.2 PHE 249 V 250 b ? -2.5 VAL 244 V 245 b ? -0.2 +3241 PHE 246 V 247 b ? ALA 242 V 243 b ? -1.8 ILE 241 V 242 b ? -0.2 VAL 250 V 251 b ? -2.0 VAL 244 V 245 b ? -0.2 +3242 ALA 247 V 248 b ? ALA 243 V 244 b ? -2.4 ALA 248 V 249 b ? -0.2 VAL 251 V 252 b ? -2.5 ALA 252 V 253 b ? -0.3 +3243 ALA 248 V 249 b ? VAL 244 V 245 b ? -2.6 PHE 249 V 250 b ? -0.2 ALA 252 V 253 b ? -2.0 ALA 247 V 248 b ? -0.2 +3244 PHE 249 V 250 b ? PHE 245 V 246 b ? -2.5 VAL 251 V 252 b ? -0.2 GLY 253 V 254 b ? -2.6 ALA 248 V 249 b ? -0.2 +3245 VAL 250 V 251 b ? PHE 246 V 247 b ? -2.0 VAL 251 V 252 b ? -0.2 THR 254 V 255 b ? -2.6 MET 255 V 256 b ? -0.2 +3246 VAL 251 V 252 b ? ALA 247 V 248 b ? -2.5 GLY 253 V 254 b ? -0.2 MET 255 V 256 b ? -1.7 VAL 250 V 251 b ? -0.2 +3247 ALA 252 V 253 b ? ALA 248 V 249 b ? -2.0 ALA 247 V 248 b ? -0.3 TRP 256 V 257 b ? -1.5 VAL 250 V 251 b ? -0.2 +3248 GLY 253 V 254 b ? PHE 249 V 250 b ? -2.6 MET 255 V 256 b ? -0.2 TYR 257 V 258 b ? -2.7 GLY 258 V 259 b ? -0.4 +3249 THR 254 V 255 b ? VAL 250 V 251 b ? -2.6 MET 255 V 256 b ? -0.2 GLY 258 V 259 b ? -1.9 GLY 253 V 254 b ? -0.2 +3250 MET 255 V 256 b ? VAL 251 V 252 b ? -1.7 VAL 250 V 251 b ? -0.2 THR 254 V 255 b ? -0.2 GLY 253 V 254 b ? -0.2 +3251 TRP 256 V 257 b ? ALA 252 V 253 b ? -1.5 TYR 257 V 258 b ? -0.2 TYR 272 V 273 b ? -0.3 ARG 271 V 272 b ? -0.3 +3252 TYR 257 V 258 b ? GLY 253 V 254 b ? -2.7 ALA 252 V 253 b ? -0.1 THR 254 V 255 b ? -0.2 MET 255 V 256 b ? -0.2 +3253 GLY 258 V 259 b ? THR 254 V 255 b ? -1.9 GLY 253 V 254 b ? -0.4 ALA 260 V 261 b ? -0.3 MET 255 V 256 b ? -0.1 +3254 SER 259 V 260 b ? THR 262 V 263 b ? -0.3 MET 255 V 256 b ? -0.1 THR 262 V 263 b ? -1.9 TYR 192 V 193 b ? -0.3 +3255 ALA 260 V 261 b ? PRO 191 V 192 b ? -2.6 THR 261 V 262 b ? -0.3 TYR 192 V 193 b ? -0.1 ASN 190 V 191 b ? -0.0 +3256 THR 261 V 262 b ? PRO 191 V 192 b ? -0.3 THR 262 V 263 b ? -0.2 ALA 260 V 261 b ? -0.3 TRP 166 V 167 b ? -0.1 +3257 THR 262 V 263 b ? SER 259 V 260 b ? -1.9 THR 254 V 255 b ? -0.1 SER 259 V 260 b ? -0.3 THR 261 V 262 b ? -0.2 +3258 PRO 263 V 264 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 267 V 268 b ? -1.9 LEU 266 V 267 b ? -1.0 +3259 ILE 264 V 265 b ? GLU 265 V 266 b ? -0.3 LEU 266 V 267 b ? -0.2 GLY 268 V 269 b ? -1.7 TRP 55 V 56 b ? -0.1 +3260 GLU 265 V 266 b ? LEU 266 V 267 b ? -0.2 PHE 267 V 268 b ? -0.2 TRP 55 V 56 b ? -0.3 ILE 264 V 265 b ? -0.3 +3261 LEU 266 V 267 b ? PRO 263 V 264 b ? -1.0 GLY 268 V 269 b ? -0.2 ILE 264 V 265 b ? -0.2 GLU 265 V 266 b ? -0.2 +3262 PHE 267 V 268 b ? PRO 263 V 264 b ? -1.9 GLY 268 V 269 b ? -0.3 ARG 447 V 448 b ? -1.2 GLY 448 V 449 b ? -0.2 +3263 GLY 268 V 269 b ? ILE 264 V 265 b ? -1.7 PRO 263 V 264 b ? -0.3 PHE 267 V 268 b ? -0.3 LEU 266 V 267 b ? -0.2 +3264 PRO 269 V 270 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 271 V 272 b ? -0.2 SER 445 V 446 b ? -0.1 +3265 THR 270 V 271 b ? TYR 257 V 258 b ? -0.1 ASN 317 V 318 b ? -0.1 TRP 274 V 275 b ? -0.6 GLN 273 V 274 b ? -0.6 +3266 ARG 271 V 272 b ? TRP 256 V 257 b ? -0.3 TYR 272 V 273 b ? -0.2 ASP 275 V 276 b ? -2.2 TRP 274 V 275 b ? -1.0 +3267 TYR 272 V 273 b ? TRP 256 V 257 b ? -0.3 GLN 273 V 274 b ? -0.3 SER 276 V 277 b ? -2.1 TYR 278 V 279 b ? -0.2 +3268 GLN 273 V 274 b ? THR 270 V 271 b ? -0.6 ASP 275 V 276 b ? -0.2 TYR 278 V 279 b ? -2.0 PHE 279 V 280 b ? -0.5 +3269 TRP 274 V 275 b ? ARG 271 V 272 b ? -1.0 THR 270 V 271 b ? -0.6 SER 277 V 278 b ? -1.2 TYR 272 V 273 b ? -0.2 +3270 ASP 275 V 276 b ? ARG 271 V 272 b ? -2.2 SER 276 V 277 b ? -0.3 GLN 273 V 274 b ? -0.2 TYR 272 V 273 b ? -0.2 +3271 SER 276 V 277 b ? TYR 272 V 273 b ? -2.1 ARG 271 V 272 b ? -0.1 ASP 275 V 276 b ? -0.3 TRP 274 V 275 b ? -0.2 +3272 SER 277 V 278 b ? TRP 274 V 275 b ? -1.2 GLN 273 V 274 b ? -0.2 GLN 281 V 282 b ? -2.4 TRP 274 V 275 b ? -0.2 +3273 TYR 278 V 279 b ? GLN 273 V 274 b ? -2.0 TYR 272 V 273 b ? -0.2 GLU 282 V 283 b ? -1.3 TRP 274 V 275 b ? -0.1 +3274 PHE 279 V 280 b ? GLN 273 V 274 b ? -0.5 GLN 280 V 281 b ? -0.2 ILE 283 V 284 b ? -2.3 TYR 278 V 279 b ? -0.2 +3275 GLN 280 V 281 b ? GLN 281 V 282 b ? -0.2 GLU 282 V 283 b ? -0.2 ASN 284 V 285 b ? -2.3 PHE 279 V 280 b ? -0.2 +3276 GLN 281 V 282 b ? SER 277 V 278 b ? -2.4 ILE 283 V 284 b ? -0.2 ARG 285 V 286 b ? -2.5 GLN 280 V 281 b ? -0.2 +3277 GLU 282 V 283 b ? TYR 278 V 279 b ? -1.3 ASN 284 V 285 b ? -0.2 ARG 286 V 287 b ? -2.5 GLN 280 V 281 b ? -0.2 +3278 ILE 283 V 284 b ? PHE 279 V 280 b ? -2.3 ARG 285 V 286 b ? -0.2 VAL 287 V 288 b ? -2.4 GLN 281 V 282 b ? -0.2 +3279 ASN 284 V 285 b ? GLN 280 V 281 b ? -2.3 ARG 286 V 287 b ? -0.2 GLN 288 V 289 b ? -2.4 GLU 282 V 283 b ? -0.2 +3280 ARG 285 V 286 b ? GLN 281 V 282 b ? -2.5 VAL 287 V 288 b ? -0.2 ALA 289 V 290 b ? -2.1 ILE 283 V 284 b ? -0.2 +3281 ARG 286 V 287 b ? GLU 282 V 283 b ? -2.5 VAL 287 V 288 b ? -0.2 SER 290 V 291 b ? -2.0 ASN 284 V 285 b ? -0.2 +3282 VAL 287 V 288 b ? ILE 283 V 284 b ? -2.4 GLN 288 V 289 b ? -0.2 LEU 291 V 292 b ? -2.7 ARG 286 V 287 b ? -0.2 +3283 GLN 288 V 289 b ? ASN 284 V 285 b ? -2.4 SER 290 V 291 b ? -0.2 ALA 292 V 293 b ? -3.2 VAL 287 V 288 b ? -0.2 +3284 ALA 289 V 290 b ? ARG 285 V 286 b ? -2.1 LEU 291 V 292 b ? -0.2 SER 293 V 294 b ? -0.9 VAL 287 V 288 b ? -0.2 +3285 SER 290 V 291 b ? ARG 286 V 287 b ? -2.0 ALA 292 V 293 b ? -0.2 ALA 295 V 296 b ? -2.0 SER 293 V 294 b ? -0.6 +3286 LEU 291 V 292 b ? VAL 287 V 288 b ? -2.7 ALA 292 V 293 b ? -0.2 GLY 294 V 295 b ? -2.2 ALA 289 V 290 b ? -0.2 +3287 ALA 292 V 293 b ? GLN 288 V 289 b ? -3.2 SER 293 V 294 b ? -0.3 LEU 291 V 292 b ? -0.2 SER 290 V 291 b ? -0.2 +3288 SER 293 V 294 b ? ALA 289 V 290 b ? -0.9 SER 290 V 291 b ? -0.6 ALA 292 V 293 b ? -0.3 LEU 291 V 292 b ? -0.2 +3289 GLY 294 V 295 b ? LEU 291 V 292 b ? -2.2 ALA 295 V 296 b ? -0.2 LEU 291 V 292 b ? -0.2 ALA 292 V 293 b ? -0.1 +3290 ALA 295 V 296 b ? SER 290 V 291 b ? -2.0 THR 296 V 297 b ? -0.1 GLY 294 V 295 b ? -0.2 LEU 297 V 298 b ? -0.1 +3291 THR 296 V 297 b ? LEU 297 V 298 b ? -0.1 ALA 300 V 301 b ? -0.0 ALA 300 V 301 b ? -2.7 TRP 301 V 302 b ? -0.2 +3292 LEU 297 V 298 b ? GLU 298 V 299 b ? -0.2 GLU 299 V 300 b ? -0.2 TRP 301 V 302 b ? -2.0 SER 302 V 303 b ? -0.2 +3293 GLU 298 V 299 b ? ALA 300 V 301 b ? -0.2 GLU 299 V 300 b ? -0.2 SER 302 V 303 b ? -1.9 LEU 297 V 298 b ? -0.2 +3294 GLU 299 V 300 b ? TRP 301 V 302 b ? -0.2 ALA 300 V 301 b ? -0.2 ALA 303 V 304 b ? -1.4 LEU 297 V 298 b ? -0.2 +3295 ALA 300 V 301 b ? THR 296 V 297 b ? -2.7 TRP 301 V 302 b ? -0.2 ALA 303 V 304 b ? -0.3 ILE 304 V 305 b ? -0.2 +3296 TRP 301 V 302 b ? LEU 297 V 298 b ? -2.0 SER 302 V 303 b ? -0.2 ILE 304 V 305 b ? -1.1 ALA 300 V 301 b ? -0.2 +3297 SER 302 V 303 b ? GLU 298 V 299 b ? -1.9 ALA 303 V 304 b ? -0.2 TRP 301 V 302 b ? -0.2 ALA 300 V 301 b ? -0.2 +3298 ALA 303 V 304 b ? GLU 299 V 300 b ? -1.4 ALA 300 V 301 b ? -0.3 SER 302 V 303 b ? -0.2 TRP 301 V 302 b ? -0.2 +3299 ILE 304 V 305 b ? TRP 301 V 302 b ? -1.1 ALA 300 V 301 b ? -0.2 GLY 403 V 404 b ? -0.2 GLU 306 V 307 b ? -0.1 +3300 PRO 305 V 306 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 309 V 310 b ? -1.7 LEU 308 V 309 b ? -0.3 +3301 GLU 306 V 307 b ? LYS 307 V 308 b ? -0.2 LEU 308 V 309 b ? -0.2 PHE 310 V 311 b ? -1.9 TYR 311 V 312 b ? -0.1 +3302 LYS 307 V 308 b ? ALA 309 V 310 b ? -0.2 LEU 308 V 309 b ? -0.2 TYR 311 V 312 b ? -1.1 GLU 306 V 307 b ? -0.2 +3303 LEU 308 V 309 b ? PRO 305 V 306 b ? -0.3 ALA 309 V 310 b ? -0.2 ASP 312 V 313 b ? -0.7 TYR 311 V 312 b ? -0.3 +3304 ALA 309 V 310 b ? PRO 305 V 306 b ? -1.7 PHE 310 V 311 b ? -0.2 ASP 312 V 313 b ? -0.9 GLU 427 V 428 b ? -0.3 +3305 PHE 310 V 311 b ? GLU 306 V 307 b ? -1.9 TYR 311 V 312 b ? -0.3 TYR 313 V 314 b ? -0.4 ALA 309 V 310 b ? -0.2 +3306 TYR 311 V 312 b ? LYS 307 V 308 b ? -1.1 LEU 308 V 309 b ? -0.3 TYR 313 V 314 b ? -0.8 PHE 310 V 311 b ? -0.3 +3307 ASP 312 V 313 b ? ALA 309 V 310 b ? -0.9 LEU 308 V 309 b ? -0.7 GLU 427 V 428 b ? -2.3 ILE 314 V 315 b ? -0.4 +3308 TYR 313 V 314 b ? TYR 311 V 312 b ? -0.8 PHE 310 V 311 b ? -0.4 ASN 316 V 317 b ? -2.2 GLY 426 V 427 b ? -0.2 +3309 ILE 314 V 315 b ? PHE 425 V 426 b ? -2.7 ASP 312 V 313 b ? -0.4 ASN 317 V 318 b ? -1.7 ALA 319 V 320 b ? -0.1 +3310 GLY 315 V 316 b ? PHE 425 V 426 b ? -0.3 ASN 316 V 317 b ? -0.3 ILE 314 V 315 b ? -0.3 ARG 443 V 444 b ? -0.3 +3311 ASN 316 V 317 b ? TYR 313 V 314 b ? -2.2 PHE 310 V 311 b ? -0.2 GLY 315 V 316 b ? -0.3 ILE 314 V 315 b ? -0.2 +3312 ASN 317 V 318 b ? ILE 314 V 315 b ? -1.7 TYR 313 V 314 b ? -0.1 LYS 320 V 321 b ? -1.1 THR 270 V 271 b ? -0.1 +3313 PRO 318 V 319 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 321 V 322 b ? -0.4 ASN 317 V 318 b ? -0.1 +3314 ALA 319 V 320 b ? LYS 320 V 321 b ? -0.2 ILE 314 V 315 b ? -0.1 THR 444 V 445 b ? -0.1 THR 270 V 271 b ? -0.0 +3315 LYS 320 V 321 b ? ASN 317 V 318 b ? -1.1 ARG 443 V 444 b ? -0.2 ALA 319 V 320 b ? -0.2 PHE 442 V 443 b ? -0.1 +3316 GLY 321 V 322 b ? PRO 318 V 319 b ? -0.4 LEU 280 X 291 d ? -0.3 ARG 283 X 294 d ? -0.6 LEU 323 V 324 b ? -0.3 +3317 GLY 322 V 323 b ? ARG 325 V 326 b ? -0.3 LEU 282 X 293 d ? -0.2 ARG 325 V 326 b ? -1.3 THR 444 V 445 b ? -0.3 +3318 LEU 323 V 324 b ? ARG 283 X 294 d ? -1.8 GLY 321 V 322 b ? -0.3 SER 284 X 295 d ? -0.2 LEU 282 X 293 d ? -0.1 +3319 PHE 324 V 325 b ? ARG 283 X 294 d ? -0.5 ASP 286 X 297 d ? -0.2 THR 326 V 327 b ? -1.0 LEU 323 V 324 b ? -0.3 +3320 ARG 325 V 326 b ? GLY 322 V 323 b ? -1.3 PHE 442 V 443 b ? -0.1 THR 444 V 445 b ? -0.3 GLY 322 V 323 b ? -0.3 +3321 THR 326 V 327 b ? PHE 324 V 325 b ? -1.0 ARG 443 V 444 b ? -0.1 PHE 324 V 325 b ? -0.1 LYS 331 V 332 b ? -0.1 +3322 GLY 327 V 328 b ? ARG 325 V 326 b ? -0.1 GLY 58 V 59 b ? -0.1 GLY 58 V 59 b ? -0.2 THR 444 V 445 b ? -0.1 +3323 PRO 328 V 329 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 331 V 332 b ? -1.2 GLY 332 V 333 b ? -0.3 +3324 MET 329 V 330 b ? ARG 56 V 57 b ? -0.5 ASN 330 V 331 b ? -0.3 GLY 332 V 333 b ? -1.9 ASP 333 V 334 b ? -0.9 +3325 ASN 330 V 331 b ? ARG 56 V 57 b ? -1.8 LYS 331 V 332 b ? -0.3 GLY 334 V 335 b ? -0.3 MET 329 V 330 b ? -0.3 +3326 LYS 331 V 332 b ? PRO 328 V 329 b ? -1.2 SER 438 V 439 b ? -0.1 ASP 439 V 440 b ? -2.0 GLY 440 V 441 b ? -0.3 +3327 GLY 332 V 333 b ? MET 329 V 330 b ? -1.9 PRO 328 V 329 b ? -0.3 GLY 440 V 441 b ? -2.6 PHE 442 V 443 b ? -0.2 +3328 ASP 333 V 334 b ? MET 329 V 330 b ? -0.9 GLY 334 V 335 b ? -0.3 ASN 330 V 331 b ? -0.2 ILE 335 V 336 b ? -0.2 +3329 GLY 334 V 335 b ? MET 329 V 330 b ? -0.6 ASN 330 V 331 b ? -0.3 ALA 336 V 337 b ? -0.7 ASP 333 V 334 b ? -0.3 +3330 ILE 335 V 336 b ? ASP 432 V 433 b ? -2.6 ASP 333 V 334 b ? -0.2 ASP 432 V 433 b ? -2.5 ASN 52 V 53 b ? -0.1 +3331 ALA 336 V 337 b ? GLY 334 V 335 b ? -0.7 LEU 51 V 52 b ? -0.5 PHE 431 V 432 b ? -0.3 LEU 51 V 52 b ? -0.1 +3332 GLN 337 V 338 b ? GLU 430 V 431 b ? -3.5 ALA 338 V 339 b ? -0.4 TRP 339 V 340 b ? -0.3 PHE 431 V 432 b ? -0.2 +3333 ALA 338 V 339 b ? GLU 430 V 431 b ? -1.2 LYS 54 M 57 O ? -0.1 GLU 430 V 431 b ? -2.9 LYS 340 V 341 b ? -0.4 +3334 TRP 339 V 340 b ? GLN 337 V 338 b ? -0.3 PHE 429 V 430 b ? -0.2 GLU 404 V 405 b ? -2.3 PHE 429 V 430 b ? -0.2 +3335 LYS 340 V 341 b ? ILE 428 V 429 b ? -2.4 ALA 338 V 339 b ? -0.4 LEU 405 V 406 b ? -2.6 HIS 342 V 343 b ? -0.2 +3336 GLY 341 V 342 b ? ILE 428 V 429 b ? -0.6 GLY 403 V 404 b ? -0.2 ILE 428 V 429 b ? -0.6 ALA 343 V 344 b ? -0.5 +3337 HIS 342 V 343 b ? TYR 401 V 402 b ? -3.0 LYS 340 V 341 b ? -0.2 TYR 401 V 402 b ? -2.1 VAL 344 V 345 b ? -0.4 +3338 ALA 343 V 344 b ? GLY 341 V 342 b ? -0.5 PHE 400 V 401 b ? -0.2 PHE 345 V 346 b ? -0.5 PHE 400 V 401 b ? -0.2 +3339 VAL 344 V 345 b ? SER 399 V 400 b ? -2.5 HIS 342 V 343 b ? -0.4 SER 399 V 400 b ? -2.6 ARG 346 V 347 b ? -0.4 +3340 PHE 345 V 346 b ? LEU 353 V 354 b ? -0.9 ALA 343 V 344 b ? -0.5 LEU 353 V 354 b ? -3.3 ASN 347 V 348 b ? -0.3 +3341 ARG 346 V 347 b ? THR 397 V 398 b ? -1.9 VAL 344 V 345 b ? -0.4 THR 397 V 398 b ? -2.9 GLU 352 V 353 b ? -0.2 +3342 ASN 347 V 348 b ? GLU 351 V 352 b ? -1.6 PHE 345 V 346 b ? -0.3 GLY 350 V 351 b ? -1.9 GLY 395 V 396 b ? -0.2 +3343 LYS 348 V 349 b ? GLN 394 V 395 b ? -2.1 GLU 349 V 350 b ? -0.3 GLY 395 V 396 b ? -0.1 VAL 396 V 397 b ? -0.1 +3344 GLU 349 V 350 b ? GLN 394 V 395 b ? -0.2 GLU 351 V 352 b ? -0.1 LYS 348 V 349 b ? -0.3 GLU 352 V 353 b ? -0.1 +3345 GLY 350 V 351 b ? ASN 347 V 348 b ? -1.9 GLU 351 V 352 b ? -0.3 GLU 352 V 353 b ? -0.2 LYS 348 V 349 b ? -0.1 +3346 GLU 351 V 352 b ? GLU 352 V 353 b ? -0.1 ARG 346 V 347 b ? -0.0 ASN 347 V 348 b ? -1.6 GLY 350 V 351 b ? -0.3 +3347 GLU 352 V 353 b ? GLY 350 V 351 b ? -0.2 ARG 346 V 347 b ? -0.2 LYS 372 V 373 b ? -0.3 PHE 354 V 355 b ? -0.3 +3348 LEU 353 V 354 b ? PHE 345 V 346 b ? -3.3 GLU 351 V 352 b ? -0.2 PHE 345 V 346 b ? -0.9 VAL 355 V 356 b ? -0.4 +3349 PHE 354 V 355 b ? THR 370 V 371 b ? -3.1 GLU 352 V 353 b ? -0.3 THR 370 V 371 b ? -2.6 ARG 356 V 357 b ? -0.3 +3350 VAL 355 V 356 b ? LEU 353 V 354 b ? -0.4 LEU 369 V 370 b ? -0.2 ARG 357 V 358 b ? -0.5 LEU 369 V 370 b ? -0.2 +3351 ARG 356 V 357 b ? ILE 368 V 369 b ? -2.8 PHE 354 V 355 b ? -0.3 ILE 368 V 369 b ? -0.3 VAL 355 V 356 b ? -0.1 +3352 ARG 357 V 358 b ? VAL 355 V 356 b ? -0.5 MET 358 V 359 b ? -0.1 PHE 425 V 426 b ? -0.2 ILE 424 V 425 b ? -0.1 +3353 MET 358 V 359 b ? ILE 424 V 425 b ? -2.7 PHE 365 V 366 b ? -0.1 ALA 360 V 361 b ? -0.2 ARG 357 V 358 b ? -0.1 +3354 PRO 359 V 360 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 362 V 363 b ? -1.8 MET 358 V 359 b ? -0.0 +3355 ALA 360 V 361 b ? PHE 361 V 362 b ? -0.3 MET 358 V 359 b ? -0.2 MET 358 V 359 b ? -0.0 ARG 271 V 272 b ? -0.0 +3356 PHE 361 V 362 b ? PHE 362 V 363 b ? -0.1 GLU 363 V 364 b ? -0.0 GLU 363 V 364 b ? -0.5 ALA 360 V 361 b ? -0.3 +3357 PHE 362 V 363 b ? PRO 359 V 360 b ? -1.8 GLU 363 V 364 b ? -0.2 PHE 365 V 366 b ? -0.1 PHE 177 X 188 d ? -0.1 +3358 GLU 363 V 364 b ? PHE 361 V 362 b ? -0.5 PHE 177 X 188 d ? -0.2 PHE 365 V 366 b ? -0.3 PHE 362 V 363 b ? -0.2 +3359 SER 364 V 365 b ? PHE 361 V 362 b ? -0.1 GLU 312 X 323 d ? -0.0 GLU 363 V 364 b ? -0.2 ALA 170 AG 173 o ? -0.0 +3360 PHE 365 V 366 b ? GLU 363 V 364 b ? -0.3 PHE 362 V 363 b ? -0.1 MET 358 V 359 b ? -0.1 ILE 424 V 425 b ? -0.1 +3361 PRO 366 V 367 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 368 V 369 b ? -0.7 VAL 334 X 345 d ? -0.0 +3362 VAL 367 V 368 b ? ILE 380 V 381 b ? -0.3 VAL 355 V 356 b ? -0.1 ILE 380 V 381 b ? -1.6 LEU 369 V 370 b ? -0.4 +3363 ILE 368 V 369 b ? PRO 366 V 367 b ? -0.7 ARG 356 V 357 b ? -0.3 ARG 356 V 357 b ? -2.8 THR 370 V 371 b ? -0.5 +3364 LEU 369 V 370 b ? ALA 378 V 379 b ? -3.3 VAL 367 V 368 b ? -0.4 LYS 377 V 378 b ? -3.0 ALA 378 V 379 b ? -1.8 +3365 THR 370 V 371 b ? PHE 354 V 355 b ? -2.6 ILE 368 V 369 b ? -0.5 PHE 354 V 355 b ? -3.1 VAL 376 V 377 b ? -0.2 +3366 ASP 371 V 372 b ? VAL 375 V 376 b ? -2.2 LEU 369 V 370 b ? -0.3 GLY 374 V 375 b ? -2.6 LEU 353 V 354 b ? -0.1 +3367 LYS 372 V 373 b ? GLU 352 V 353 b ? -0.3 ASN 373 V 374 b ? -0.3 LEU 353 V 354 b ? -0.1 ASP 371 V 372 b ? -0.0 +3368 ASN 373 V 374 b ? VAL 375 V 376 b ? -0.1 GLY 374 V 375 b ? -0.0 LYS 372 V 373 b ? -0.3 VAL 376 V 377 b ? -0.1 +3369 GLY 374 V 375 b ? ASP 371 V 372 b ? -2.6 VAL 375 V 376 b ? -0.3 VAL 376 V 377 b ? -0.4 LYS 372 V 373 b ? -0.1 +3370 VAL 375 V 376 b ? VAL 376 V 377 b ? -0.1 LYS 377 V 378 b ? -0.0 ASP 371 V 372 b ? -2.2 GLY 374 V 375 b ? -0.3 +3371 VAL 376 V 377 b ? GLY 374 V 375 b ? -0.4 THR 370 V 371 b ? -0.2 THR 370 V 371 b ? -0.3 ASP 379 V 380 b ? -0.1 +3372 LYS 377 V 378 b ? LEU 369 V 370 b ? -3.0 ALA 378 V 379 b ? -0.4 ASP 379 V 380 b ? -0.3 THR 370 V 371 b ? -0.2 +3373 ALA 378 V 379 b ? LEU 369 V 370 b ? -1.8 ASN 347 V 348 b ? -0.0 LEU 369 V 370 b ? -3.3 LYS 377 V 378 b ? -0.4 +3374 ASP 379 V 380 b ? TYR 389 V 390 b ? -2.3 LYS 377 V 378 b ? -0.3 PHE 391 V 392 b ? -0.4 ILE 368 V 369 b ? -0.2 +3375 ILE 380 V 381 b ? VAL 367 V 368 b ? -1.6 ALA 378 V 379 b ? -0.3 VAL 367 V 368 b ? -0.3 SER 390 V 391 b ? -0.1 +3376 PRO 381 V 382 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 334 X 345 d ? -0.3 ARG 384 V 385 b ? -0.2 +3377 PHE 382 V 383 b ? GLU 333 X 344 d ? -3.9 ARG 383 V 384 b ? -0.3 ARG 384 V 385 b ? -0.7 VAL 334 X 345 d ? -0.2 +3378 ARG 383 V 384 b ? GLU 333 X 344 d ? -0.7 LEU 335 X 346 d ? -0.3 GLU 386 V 387 b ? -0.5 PHE 382 V 383 b ? -0.3 +3379 ARG 384 V 385 b ? ALA 162 AG 165 o ? -2.2 PHE 382 V 383 b ? -0.7 SER 387 V 388 b ? -1.8 ARG 383 V 384 b ? -0.1 +3380 ALA 385 V 386 b ? ALA 162 AG 165 o ? -0.6 GLU 386 V 387 b ? -0.3 ARG 384 V 385 b ? -0.2 ASN 24 AI 31 u ? -0.2 +3381 GLU 386 V 387 b ? ARG 383 V 384 b ? -0.5 GLU 333 X 344 d ? -0.1 ALA 385 V 386 b ? -0.3 LYS 388 V 389 b ? -0.2 +3382 SER 387 V 388 b ? ARG 384 V 385 b ? -1.8 LYS 388 V 389 b ? -0.1 ARG 384 V 385 b ? -0.1 ILE 380 V 381 b ? -0.0 +3383 LYS 388 V 389 b ? GLU 386 V 387 b ? -0.2 GLN 394 V 395 b ? -0.0 SER 387 V 388 b ? -0.1 ARG 384 V 385 b ? -0.0 +3384 TYR 389 V 390 b ? GLN 393 V 394 b ? -0.1 ALA 378 V 379 b ? -0.0 ASP 379 V 380 b ? -2.3 LYS 377 V 378 b ? -0.1 +3385 SER 390 V 391 b ? ALA 378 V 379 b ? -0.2 PHE 391 V 392 b ? -0.1 GLN 394 V 395 b ? -2.0 ILE 380 V 381 b ? -0.2 +3386 PHE 391 V 392 b ? ASP 379 V 380 b ? -0.4 GLU 392 V 393 b ? -0.2 VAL 396 V 397 b ? -1.7 GLY 395 V 396 b ? -0.8 +3387 GLU 392 V 393 b ? GLN 394 V 395 b ? -0.2 GLN 393 V 394 b ? -0.2 GLY 395 V 396 b ? -0.2 PHE 391 V 392 b ? -0.2 +3388 GLN 393 V 394 b ? GLN 394 V 395 b ? -0.2 GLY 395 V 396 b ? -0.1 PHE 391 V 392 b ? -0.2 GLU 392 V 393 b ? -0.2 +3389 GLN 394 V 395 b ? SER 390 V 391 b ? -2.0 TYR 389 V 390 b ? -0.1 LYS 348 V 349 b ? -2.1 GLU 349 V 350 b ? -0.2 +3390 GLY 395 V 396 b ? PHE 391 V 392 b ? -0.8 GLU 392 V 393 b ? -0.2 THR 397 V 398 b ? -0.3 GLU 392 V 393 b ? -0.2 +3391 VAL 396 V 397 b ? PHE 391 V 392 b ? -1.7 ASN 347 V 348 b ? -0.1 VAL 398 V 399 b ? -0.3 ASN 347 V 348 b ? -0.2 +3392 THR 397 V 398 b ? ARG 346 V 347 b ? -2.9 GLY 395 V 396 b ? -0.3 ARG 346 V 347 b ? -1.9 SER 399 V 400 b ? -0.4 +3393 VAL 398 V 399 b ? PHE 410 V 411 b ? -2.0 VAL 396 V 397 b ? -0.3 PHE 410 V 411 b ? -3.0 PHE 400 V 401 b ? -0.4 +3394 SER 399 V 400 b ? VAL 344 V 345 b ? -2.6 THR 397 V 398 b ? -0.4 VAL 344 V 345 b ? -2.5 TYR 401 V 402 b ? -0.4 +3395 PHE 400 V 401 b ? GLN 408 V 409 b ? -2.6 LEU 405 V 406 b ? -0.4 GLY 407 V 408 b ? -2.6 GLY 402 V 403 b ? -0.4 +3396 TYR 401 V 402 b ? HIS 342 V 343 b ? -2.1 SER 399 V 400 b ? -0.4 HIS 342 V 343 b ? -3.0 ASN 406 V 407 b ? -0.1 +3397 GLY 402 V 403 b ? PHE 400 V 401 b ? -0.4 GLY 341 V 342 b ? -0.2 LEU 405 V 406 b ? -0.4 SER 302 V 303 b ? -0.2 +3398 GLY 403 V 404 b ? TRP 301 V 302 b ? -0.2 ILE 304 V 305 b ? -0.2 ASN 406 V 407 b ? -1.3 LYS 340 V 341 b ? -0.3 +3399 GLU 404 V 405 b ? TRP 339 V 340 b ? -2.3 LEU 405 V 406 b ? -0.3 GLY 403 V 404 b ? -0.2 GLY 341 V 342 b ? -0.2 +3400 LEU 405 V 406 b ? LYS 340 V 341 b ? -2.6 GLY 402 V 403 b ? -0.4 GLN 408 V 409 b ? -2.5 PHE 400 V 401 b ? -0.4 +3401 ASN 406 V 407 b ? GLY 403 V 404 b ? -1.3 GLY 407 V 408 b ? -0.3 TYR 401 V 402 b ? -0.2 THR 409 V 410 b ? -0.1 +3402 GLY 407 V 408 b ? PHE 400 V 401 b ? -2.6 GLN 408 V 409 b ? -0.3 THR 409 V 410 b ? -0.3 ASN 406 V 407 b ? -0.3 +3403 GLN 408 V 409 b ? LEU 405 V 406 b ? -2.5 PHE 400 V 401 b ? -0.2 PHE 400 V 401 b ? -2.6 PHE 410 V 411 b ? -0.4 +3404 THR 409 V 410 b ? GLY 407 V 408 b ? -0.3 SER 399 V 400 b ? -0.2 THR 411 V 412 b ? -0.4 SER 399 V 400 b ? -0.2 +3405 PHE 410 V 411 b ? VAL 398 V 399 b ? -3.0 GLN 408 V 409 b ? -0.4 VAL 398 V 399 b ? -2.0 GLN 408 V 409 b ? -0.0 +3406 THR 411 V 412 b ? THR 409 V 410 b ? -0.4 THR 397 V 398 b ? -0.2 PHE 410 V 411 b ? -0.1 SER 399 V 400 b ? -0.0 +3407 ASP 412 V 413 b ? PRO 413 V 414 b ? -0.1 VAL 416 V 417 b ? -0.0 VAL 416 V 417 b ? -2.0 THR 415 V 416 b ? -0.7 +3408 PRO 413 V 414 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 417 V 418 b ? -2.9 SER 418 V 419 b ? -0.3 +3409 PRO 414 V 415 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 418 V 419 b ? -1.7 ASP 412 V 413 b ? -0.0 +3410 THR 415 V 416 b ? ASP 412 V 413 b ? -0.7 LYS 417 V 418 b ? -0.2 TYR 419 V 420 b ? -2.0 ALA 420 V 421 b ? -0.2 +3411 VAL 416 V 417 b ? ASP 412 V 413 b ? -2.0 LYS 417 V 418 b ? -0.2 ALA 420 V 421 b ? -2.3 THR 415 V 416 b ? -0.2 +3412 LYS 417 V 418 b ? PRO 413 V 414 b ? -2.9 ASP 412 V 413 b ? -0.2 ARG 421 V 422 b ? -2.1 VAL 416 V 417 b ? -0.2 +3413 SER 418 V 419 b ? PRO 414 V 415 b ? -1.7 PRO 413 V 414 b ? -0.3 LYS 422 V 423 b ? -1.2 VAL 416 V 417 b ? -0.2 +3414 TYR 419 V 420 b ? THR 415 V 416 b ? -2.0 ALA 420 V 421 b ? -0.2 ALA 423 V 424 b ? -1.8 LYS 417 V 418 b ? -0.2 +3415 ALA 420 V 421 b ? VAL 416 V 417 b ? -2.3 ARG 421 V 422 b ? -0.2 ILE 424 V 425 b ? -0.9 TYR 419 V 420 b ? -0.2 +3416 ARG 421 V 422 b ? LYS 417 V 418 b ? -2.1 LYS 422 V 423 b ? -0.2 ILE 424 V 425 b ? -0.3 ALA 420 V 421 b ? -0.2 +3417 LYS 422 V 423 b ? SER 418 V 419 b ? -1.2 ALA 423 V 424 b ? -0.2 PHE 425 V 426 b ? -1.6 ALA 420 V 421 b ? -0.2 +3418 ALA 423 V 424 b ? TYR 419 V 420 b ? -1.8 ILE 424 V 425 b ? -0.3 GLY 426 V 427 b ? -1.9 ARG 421 V 422 b ? -0.2 +3419 ILE 424 V 425 b ? ALA 420 V 421 b ? -0.9 ARG 421 V 422 b ? -0.3 MET 358 V 359 b ? -2.7 ALA 423 V 424 b ? -0.3 +3420 PHE 425 V 426 b ? LYS 422 V 423 b ? -1.6 GLY 426 V 427 b ? -0.3 ILE 314 V 315 b ? -2.7 GLU 427 V 428 b ? -0.4 +3421 GLY 426 V 427 b ? ALA 423 V 424 b ? -1.9 TYR 313 V 314 b ? -0.2 PHE 425 V 426 b ? -0.3 TYR 313 V 314 b ? -0.2 +3422 GLU 427 V 428 b ? ASP 312 V 313 b ? -2.3 PHE 425 V 426 b ? -0.4 PHE 429 V 430 b ? -0.4 HIS 342 V 343 b ? -0.1 +3423 ILE 428 V 429 b ? GLY 341 V 342 b ? -0.6 GLY 426 V 427 b ? -0.1 LYS 340 V 341 b ? -2.4 GLY 341 V 342 b ? -0.6 +3424 PHE 429 V 430 b ? GLU 427 V 428 b ? -0.4 TRP 339 V 340 b ? -0.2 PHE 431 V 432 b ? -0.4 TRP 339 V 340 b ? -0.2 +3425 GLU 430 V 431 b ? ALA 338 V 339 b ? -2.9 ILE 428 V 429 b ? -0.3 GLN 337 V 338 b ? -3.5 ALA 338 V 339 b ? -1.2 +3426 PHE 431 V 432 b ? PHE 429 V 430 b ? -0.4 ALA 336 V 337 b ? -0.3 THR 433 V 434 b ? -0.8 ALA 336 V 337 b ? -0.2 +3427 ASP 432 V 433 b ? ILE 335 V 336 b ? -2.5 GLU 430 V 431 b ? -0.4 ILE 335 V 336 b ? -2.6 LEU 436 V 437 b ? -0.2 +3428 THR 433 V 434 b ? PHE 431 V 432 b ? -0.8 GLY 334 V 335 b ? -0.2 SER 438 V 439 b ? -2.2 ASP 432 V 433 b ? -0.1 +3429 GLU 434 V 435 b ? ASN 437 V 438 b ? -0.2 LEU 436 V 437 b ? -0.2 ASN 437 V 438 b ? -1.9 THR 433 V 434 b ? -0.1 +3430 THR 435 V 436 b ? LEU 436 V 437 b ? -0.3 ASN 437 V 438 b ? -0.1 GLU 434 V 435 b ? -0.1 THR 433 V 434 b ? -0.1 +3431 LEU 436 V 437 b ? ASP 432 V 433 b ? -0.2 ASN 330 V 331 b ? -0.2 THR 435 V 436 b ? -0.3 GLU 434 V 435 b ? -0.2 +3432 ASN 437 V 438 b ? GLU 434 V 435 b ? -1.9 SER 438 V 439 b ? -0.1 GLU 434 V 435 b ? -0.2 THR 435 V 436 b ? -0.1 +3433 SER 438 V 439 b ? THR 433 V 434 b ? -2.2 ASP 439 V 440 b ? -0.1 GLY 332 V 333 b ? -0.2 ASN 437 V 438 b ? -0.1 +3434 ASP 439 V 440 b ? LYS 331 V 332 b ? -2.0 ILE 441 V 442 b ? -0.2 ALA 174 AG 177 o ? -0.2 GLY 332 V 333 b ? -0.2 +3435 GLY 440 V 441 b ? GLY 332 V 333 b ? -2.6 LYS 331 V 332 b ? -0.3 GLN 173 AG 176 o ? -2.4 PHE 442 V 443 b ? -0.5 +3436 ILE 441 V 442 b ? LYS 331 V 332 b ? -0.3 PRO 172 AG 175 o ? -0.2 GLY 440 V 441 b ? -0.2 ASP 439 V 440 b ? -0.2 +3437 PHE 442 V 443 b ? GLY 440 V 441 b ? -0.5 GLY 332 V 333 b ? -0.2 THR 444 V 445 b ? -0.3 ARG 325 V 326 b ? -0.1 +3438 ARG 443 V 444 b ? GLY 315 V 316 b ? -0.3 MET 329 V 330 b ? -0.2 LYS 320 V 321 b ? -0.2 SER 445 V 446 b ? -0.1 +3439 THR 444 V 445 b ? ARG 325 V 326 b ? -0.3 PHE 442 V 443 b ? -0.3 ALA 319 V 320 b ? -0.1 ASN 317 V 318 b ? -0.1 +3440 SER 445 V 446 b ? ARG 443 V 444 b ? -0.1 PRO 269 V 270 b ? -0.1 TRP 449 V 450 b ? -2.3 GLY 448 V 449 b ? -0.4 +3441 PRO 446 V 447 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 450 V 451 b ? -3.4 THR 451 V 452 b ? -0.3 +3442 ARG 447 V 448 b ? PHE 267 V 268 b ? -1.2 TRP 449 V 450 b ? -0.2 THR 451 V 452 b ? -1.8 PHE 452 V 453 b ? -0.1 +3443 GLY 448 V 449 b ? SER 445 V 446 b ? -0.4 PHE 267 V 268 b ? -0.2 PHE 452 V 453 b ? -2.4 ARG 447 V 448 b ? -0.2 +3444 TRP 449 V 450 b ? SER 445 V 446 b ? -2.3 PHE 450 V 451 b ? -0.2 ALA 453 V 454 b ? -2.4 HIS 454 V 455 b ? -0.3 +3445 PHE 450 V 451 b ? PRO 446 V 447 b ? -3.4 THR 451 V 452 b ? -0.2 HIS 454 V 455 b ? -2.2 TRP 449 V 450 b ? -0.2 +3446 THR 451 V 452 b ? ARG 447 V 448 b ? -1.8 PRO 446 V 447 b ? -0.3 ALA 455 V 456 b ? -2.8 VAL 456 V 457 b ? -0.3 +3447 PHE 452 V 453 b ? GLY 448 V 449 b ? -2.4 ALA 453 V 454 b ? -0.2 VAL 456 V 457 b ? -2.5 PHE 457 V 458 b ? -0.2 +3448 ALA 453 V 454 b ? TRP 449 V 450 b ? -2.4 HIS 454 V 455 b ? -0.2 PHE 457 V 458 b ? -2.6 PHE 452 V 453 b ? -0.2 +3449 HIS 454 V 455 b ? PHE 450 V 451 b ? -2.2 TRP 449 V 450 b ? -0.3 ALA 458 V 459 b ? -2.4 ALA 453 V 454 b ? -0.2 +3450 ALA 455 V 456 b ? THR 451 V 452 b ? -2.8 PHE 457 V 458 b ? -0.2 LEU 459 V 460 b ? -1.9 HIS 454 V 455 b ? -0.2 +3451 VAL 456 V 457 b ? PHE 452 V 453 b ? -2.5 THR 451 V 452 b ? -0.3 LEU 460 V 461 b ? -2.1 HIS 454 V 455 b ? -0.2 +3452 PHE 457 V 458 b ? ALA 453 V 454 b ? -2.6 PHE 452 V 453 b ? -0.2 PHE 461 V 462 b ? -2.6 VAL 456 V 457 b ? -0.2 +3453 ALA 458 V 459 b ? HIS 454 V 455 b ? -2.4 LEU 459 V 460 b ? -0.2 PHE 462 V 463 b ? -1.8 PHE 457 V 458 b ? -0.2 +3454 LEU 459 V 460 b ? ALA 455 V 456 b ? -1.9 LEU 460 V 461 b ? -0.2 PHE 463 V 464 b ? -1.0 ALA 458 V 459 b ? -0.2 +3455 LEU 460 V 461 b ? VAL 456 V 457 b ? -2.1 PHE 461 V 462 b ? -0.2 GLY 464 V 465 b ? -1.6 PHE 463 V 464 b ? -0.4 +3456 PHE 461 V 462 b ? PHE 457 V 458 b ? -2.6 PHE 462 V 463 b ? -0.2 HIS 465 V 466 b ? -2.3 LEU 459 V 460 b ? -0.2 +3457 PHE 462 V 463 b ? ALA 458 V 459 b ? -1.8 PHE 463 V 464 b ? -0.2 ILE 466 V 467 b ? -2.2 PHE 461 V 462 b ? -0.2 +3458 PHE 463 V 464 b ? LEU 459 V 460 b ? -1.0 LEU 460 V 461 b ? -0.4 TRP 467 V 468 b ? -2.6 PHE 462 V 463 b ? -0.2 +3459 GLY 464 V 465 b ? LEU 460 V 461 b ? -1.6 ILE 466 V 467 b ? -0.2 HIS 468 V 469 b ? -2.5 GLY 469 V 470 b ? -0.3 +3460 HIS 465 V 466 b ? PHE 461 V 462 b ? -2.3 TRP 467 V 468 b ? -0.2 GLY 469 V 470 b ? -2.9 ALA 470 V 471 b ? -0.2 +3461 ILE 466 V 467 b ? PHE 462 V 463 b ? -2.2 HIS 468 V 469 b ? -0.2 ALA 470 V 471 b ? -1.9 GLY 464 V 465 b ? -0.2 +3462 TRP 467 V 468 b ? PHE 463 V 464 b ? -2.6 GLY 469 V 470 b ? -0.2 ARG 471 V 472 b ? -2.0 HIS 465 V 466 b ? -0.2 +3463 HIS 468 V 469 b ? GLY 464 V 465 b ? -2.5 ALA 470 V 471 b ? -0.2 THR 472 V 473 b ? -1.5 SER 238 V 239 b ? -0.2 +3464 GLY 469 V 470 b ? HIS 465 V 466 b ? -2.9 GLY 464 V 465 b ? -0.3 LEU 473 V 474 b ? -2.0 HIS 468 V 469 b ? -0.2 +3465 ALA 470 V 471 b ? ILE 466 V 467 b ? -1.9 HIS 465 V 466 b ? -0.2 PHE 474 V 475 b ? -1.6 HIS 468 V 469 b ? -0.2 +3466 ARG 471 V 472 b ? TRP 467 V 468 b ? -2.0 THR 472 V 473 b ? -0.2 ALA 470 V 471 b ? -0.2 ARG 475 V 476 b ? -0.2 +3467 THR 472 V 473 b ? HIS 468 V 469 b ? -1.5 LEU 473 V 474 b ? -0.2 ARG 475 V 476 b ? -0.8 ARG 471 V 472 b ? -0.2 +3468 LEU 473 V 474 b ? GLY 469 V 470 b ? -2.0 PHE 474 V 475 b ? -0.2 ARG 471 V 472 b ? -0.2 THR 472 V 473 b ? -0.2 +3469 PHE 474 V 475 b ? ALA 470 V 471 b ? -1.6 GLY 469 V 470 b ? -0.2 VAL 477 V 478 b ? -1.9 LEU 473 V 474 b ? -0.2 +3470 ARG 475 V 476 b ? THR 472 V 473 b ? -0.8 ASP 476 V 477 b ? -0.3 PHE 478 V 479 b ? -1.6 SER 479 V 480 b ? -0.3 +3471 ASP 476 V 477 b ? VAL 477 V 478 b ? -0.3 THR 472 V 473 b ? -0.2 ARG 475 V 476 b ? -0.3 SER 479 V 480 b ? -0.1 +3472 VAL 477 V 478 b ? PHE 474 V 475 b ? -1.9 PHE 478 V 479 b ? -0.1 GLY 480 V 481 b ? -0.7 ASP 476 V 477 b ? -0.3 +3473 PHE 478 V 479 b ? ARG 475 V 476 b ? -1.6 SER 479 V 480 b ? -0.2 ASP 476 V 477 b ? -0.1 VAL 477 V 478 b ? -0.1 +3474 SER 479 V 480 b ? ARG 475 V 476 b ? -0.3 GLY 480 V 481 b ? -0.3 GLU 216 U 226 a ? -0.6 THR 217 U 227 a ? -0.5 +3475 GLY 480 V 481 b ? VAL 477 V 478 b ? -0.7 ARG 215 U 225 a ? -0.2 SER 479 V 480 b ? -0.3 ASP 482 V 483 b ? -0.3 +3476 ILE 481 V 482 b ? LEU 213 U 223 a ? -2.8 SER 479 V 480 b ? -0.2 ARG 215 U 225 a ? -2.1 VAL 127 X 138 d ? -0.1 +3477 ASP 482 V 483 b ? GLY 126 X 137 d ? -0.3 GLY 480 V 481 b ? -0.3 LEU 485 V 486 b ? -1.4 ILE 481 V 482 b ? -0.1 +3478 PRO 483 V 484 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 482 V 483 b ? -0.2 ILE 214 U 224 a ? -0.1 +3479 GLU 484 V 485 b ? SER 486 V 487 b ? -0.0 PRO 487 V 488 b ? -0.0 SER 486 V 487 b ? -0.2 ASP 482 V 483 b ? -0.1 +3480 LEU 485 V 486 b ? ASP 482 V 483 b ? -1.4 SER 486 V 487 b ? -0.1 VAL 490 V 491 b ? -0.1 ALA 240 U 250 a ? -0.0 +3481 SER 486 V 487 b ? PRO 487 V 488 b ? -0.2 GLU 484 V 485 b ? -0.2 GLN 489 V 490 b ? -1.4 VAL 490 V 491 b ? -0.8 +3482 PRO 487 V 488 b ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 491 V 492 b ? -1.4 SER 486 V 487 b ? -0.2 +3483 GLU 488 V 489 b ? GLN 489 V 490 b ? -0.2 VAL 490 V 491 b ? -0.2 PHE 494 V 495 b ? -0.4 TYR 495 V 496 b ? -0.4 +3484 GLN 489 V 490 b ? SER 486 V 487 b ? -1.4 VAL 490 V 491 b ? -0.2 GLY 499 V 500 b ? -0.4 GLU 488 V 489 b ? -0.2 +3485 VAL 490 V 491 b ? SER 486 V 487 b ? -0.8 PRO 487 V 488 b ? -0.1 GLU 488 V 489 b ? -0.2 TRP 492 V 493 b ? -0.2 +3486 GLU 491 V 492 b ? PRO 487 V 488 b ? -1.4 SER 486 V 487 b ? -0.2 PHE 494 V 495 b ? -0.6 TYR 495 V 496 b ? -0.4 +3487 TRP 492 V 493 b ? VAL 490 V 491 b ? -0.2 GLY 493 V 494 b ? -0.2 GLU 491 V 492 b ? -0.1 VAL 490 V 491 b ? -0.1 +3488 GLY 493 V 494 b ? TYR 495 V 496 b ? -0.4 GLU 491 V 492 b ? -0.2 TRP 492 V 493 b ? -0.2 GLN 496 V 497 b ? -0.1 +3489 PHE 494 V 495 b ? GLU 491 V 492 b ? -0.6 GLU 488 V 489 b ? -0.4 GLN 496 V 497 b ? -0.4 TRP 492 V 493 b ? -0.1 +3490 TYR 495 V 496 b ? GLU 491 V 492 b ? -0.4 GLU 488 V 489 b ? -0.4 GLY 493 V 494 b ? -0.4 ARG 504 V 505 b ? -0.2 +3491 GLN 496 V 497 b ? THR 503 V 504 b ? -2.7 PHE 494 V 495 b ? -0.4 ASP 14 X 25 d ? -3.3 VAL 498 V 499 b ? -0.5 +3492 LYS 497 V 498 b ? ASP 500 V 501 b ? -0.4 ARG 13 X 24 d ? -0.3 ASP 500 V 501 b ? -1.5 ARG 13 X 24 d ? -0.3 +3493 VAL 498 V 499 b ? LYS 12 X 23 d ? -2.3 GLN 496 V 497 b ? -0.5 VAL 501 V 502 b ? -0.1 VAL 490 V 491 b ? -0.1 +3494 GLY 499 V 500 b ? GLN 489 V 490 b ? -0.4 ASP 500 V 501 b ? -0.2 VAL 501 V 502 b ? -0.7 VAL 498 V 499 b ? -0.3 +3495 ASP 500 V 501 b ? LYS 497 V 498 b ? -1.5 VAL 501 V 502 b ? -0.1 THR 503 V 504 b ? -1.2 LYS 497 V 498 b ? -0.4 +3496 VAL 501 V 502 b ? GLY 499 V 500 b ? -0.7 THR 502 V 503 b ? -0.3 ARG 504 V 505 b ? -0.8 ASP 500 V 501 b ? -0.1 +3497 THR 502 V 503 b ? THR 503 V 504 b ? -0.2 ARG 504 V 505 b ? -0.1 VAL 501 V 502 b ? -0.3 ASP 500 V 501 b ? -0.0 +3498 THR 503 V 504 b ? ASP 500 V 501 b ? -1.2 LYS 497 V 498 b ? -0.2 GLN 496 V 497 b ? -2.7 THR 502 V 503 b ? -0.2 +3499 ARG 504 V 505 b ? VAL 501 V 502 b ? -0.8 TYR 495 V 496 b ? -0.2 THR 503 V 504 b ? -0.1 THR 502 V 503 b ? -0.1 +3500 ASN 1 W 19 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 3 W 21 c ? -0.3 ? ? ? ? ? ? ? +3501 SER 2 W 20 c ? ILE 3 W 21 c ? -0.1 ? ? ? ? ? ? ? ALA 5 W 23 c ? -1.0 THR 6 W 24 c ? -0.2 +3502 ILE 3 W 21 c ? ASN 1 W 19 c ? -0.3 PHE 4 W 22 c ? -0.2 THR 6 W 24 c ? -0.3 SER 2 W 20 c ? -0.1 +3503 PHE 4 W 22 c ? ALA 5 W 23 c ? -0.2 ASP 9 W 27 c ? -0.0 ILE 3 W 21 c ? -0.2 ASP 9 W 27 c ? -0.1 +3504 ALA 5 W 23 c ? SER 2 W 20 c ? -1.0 ARG 8 W 26 c ? -0.1 PHE 4 W 22 c ? -0.2 ASN 7 W 25 c ? -0.1 +3505 THR 6 W 24 c ? ILE 3 W 21 c ? -0.3 SER 2 W 20 c ? -0.2 SER 12 W 30 c ? -0.2 ASP 9 W 27 c ? -0.1 +3506 ASN 7 W 25 c ? ARG 8 W 26 c ? -0.2 ALA 5 W 23 c ? -0.1 ASP 9 W 27 c ? -0.6 ALA 5 W 23 c ? -0.1 +3507 ARG 8 W 26 c ? SER 12 W 30 c ? -0.1 SER 13 W 31 c ? -0.0 GLN 10 W 28 c ? -0.3 ASN 7 W 25 c ? -0.2 +3508 ASP 9 W 27 c ? ASN 7 W 25 c ? -0.6 PHE 4 W 22 c ? -0.1 SER 13 W 31 c ? -1.8 PHE 15 W 33 c ? -0.3 +3509 GLN 10 W 28 c ? ARG 8 W 26 c ? -0.3 GLU 11 W 29 c ? -0.2 GLY 14 W 32 c ? -2.0 SER 219 X 230 d ? -0.1 +3510 GLU 11 W 29 c ? SER 12 W 30 c ? -0.2 SER 13 W 31 c ? -0.2 GLN 10 W 28 c ? -0.2 ASN 7 W 25 c ? -0.1 +3511 SER 12 W 30 c ? THR 6 W 24 c ? -0.2 SER 13 W 31 c ? -0.1 GLN 10 W 28 c ? -0.2 GLU 11 W 29 c ? -0.2 +3512 SER 13 W 31 c ? ASP 9 W 27 c ? -1.8 PHE 15 W 33 c ? -0.2 GLN 10 W 28 c ? -0.2 GLU 11 W 29 c ? -0.2 +3513 GLY 14 W 32 c ? GLN 10 W 28 c ? -2.0 PHE 15 W 33 c ? -0.2 ALA 218 X 229 d ? -1.5 SER 219 X 230 d ? -1.1 +3514 PHE 15 W 33 c ? ASP 9 W 27 c ? -0.3 ALA 218 X 229 d ? -0.2 GLY 14 W 32 c ? -0.2 SER 13 W 31 c ? -0.2 +3515 ALA 16 W 34 c ? GLY 14 W 32 c ? -0.4 SER 13 W 31 c ? -0.1 ALA 19 W 37 c ? -2.2 ARG 23 W 41 c ? -0.1 +3516 TRP 17 W 35 c ? PHE 36 AD 45 k ? -0.4 TRP 18 W 36 c ? -0.3 GLY 20 W 38 c ? -1.7 ASN 21 W 39 c ? -0.2 +3517 TRP 18 W 36 c ? ALA 19 W 37 c ? -0.3 GLY 20 W 38 c ? -0.1 TRP 17 W 35 c ? -0.3 ASN 21 W 39 c ? -0.1 +3518 ALA 19 W 37 c ? ALA 16 W 34 c ? -2.2 GLY 20 W 38 c ? -0.1 ALA 22 W 40 c ? -1.5 TRP 18 W 36 c ? -0.3 +3519 GLY 20 W 38 c ? TRP 17 W 35 c ? -1.7 ASN 21 W 39 c ? -0.3 ARG 23 W 41 c ? -1.8 TRP 18 W 36 c ? -0.1 +3520 ASN 21 W 39 c ? ALA 22 W 40 c ? -0.3 TRP 17 W 35 c ? -0.2 LEU 24 W 42 c ? -1.3 GLY 20 W 38 c ? -0.3 +3521 ALA 22 W 40 c ? ALA 19 W 37 c ? -1.5 ARG 23 W 41 c ? -0.3 ILE 25 W 43 c ? -1.1 ASN 21 W 39 c ? -0.3 +3522 ARG 23 W 41 c ? GLY 20 W 38 c ? -1.8 ALA 19 W 37 c ? -0.2 ASN 26 W 44 c ? -0.3 ALA 22 W 40 c ? -0.3 +3523 LEU 24 W 42 c ? ASN 21 W 39 c ? -1.3 ILE 25 W 43 c ? -0.2 LEU 27 W 45 c ? -1.8 LEU 31 W 49 c ? -0.2 +3524 ILE 25 W 43 c ? ALA 22 W 40 c ? -1.1 ASN 26 W 44 c ? -0.3 LEU 24 W 42 c ? -0.2 ARG 23 W 41 c ? -0.1 +3525 ASN 26 W 44 c ? ARG 23 W 41 c ? -0.3 ALA 22 W 40 c ? -0.2 SER 28 W 46 c ? -0.4 ILE 25 W 43 c ? -0.3 +3526 LEU 27 W 45 c ? LEU 24 W 42 c ? -1.8 SER 28 W 46 c ? -0.1 LEU 31 W 49 c ? -2.7 LEU 32 W 50 c ? -0.2 +3527 SER 28 W 46 c ? ASN 26 W 44 c ? -0.4 GLY 29 W 47 c ? -0.2 LEU 32 W 50 c ? -2.6 THR 121 W 139 c ? -0.2 +3528 GLY 29 W 47 c ? GLU 120 W 138 c ? -1.2 LEU 31 W 49 c ? -0.2 GLY 33 W 51 c ? -1.8 SER 28 W 46 c ? -0.2 +3529 LYS 30 W 48 c ? GLU 120 W 138 c ? -1.5 LEU 32 W 50 c ? -0.2 ALA 34 W 52 c ? -2.5 SER 28 W 46 c ? -0.2 +3530 LEU 31 W 49 c ? LEU 27 W 45 c ? -2.7 GLU 120 W 138 c ? -0.3 HIS 35 W 53 c ? -1.9 GLY 29 W 47 c ? -0.2 +3531 LEU 32 W 50 c ? SER 28 W 46 c ? -2.6 LEU 27 W 45 c ? -0.2 VAL 36 W 54 c ? -2.3 LEU 31 W 49 c ? -0.2 +3532 GLY 33 W 51 c ? GLY 29 W 47 c ? -1.8 HIS 114 W 132 c ? -0.3 ALA 37 W 55 c ? -2.8 HIS 38 W 56 c ? -0.3 +3533 ALA 34 W 52 c ? LYS 30 W 48 c ? -2.5 HIS 35 W 53 c ? -0.2 HIS 38 W 56 c ? -1.7 GLY 33 W 51 c ? -0.2 +3534 HIS 35 W 53 c ? LEU 31 W 49 c ? -1.9 ALA 37 W 55 c ? -0.2 ALA 39 W 57 c ? -2.3 ALA 34 W 52 c ? -0.2 +3535 VAL 36 W 54 c ? LEU 32 W 50 c ? -2.3 HIS 38 W 56 c ? -0.2 GLY 40 W 58 c ? -2.0 GLY 111 W 129 c ? -0.3 +3536 ALA 37 W 55 c ? GLY 33 W 51 c ? -2.8 GLY 111 W 129 c ? -0.2 LEU 41 W 59 c ? -1.3 VAL 36 W 54 c ? -0.2 +3537 HIS 38 W 56 c ? ALA 34 W 52 c ? -1.7 GLY 33 W 51 c ? -0.3 ILE 42 W 60 c ? -1.7 VAL 36 W 54 c ? -0.2 +3538 ALA 39 W 57 c ? HIS 35 W 53 c ? -2.3 GLY 40 W 58 c ? -0.2 VAL 43 W 61 c ? -2.3 PHE 44 W 62 c ? -0.2 +3539 GLY 40 W 58 c ? VAL 36 W 54 c ? -2.0 LEU 41 W 59 c ? -0.2 PHE 44 W 62 c ? -2.8 ALA 39 W 57 c ? -0.2 +3540 LEU 41 W 59 c ? ALA 37 W 55 c ? -1.3 VAL 43 W 61 c ? -0.2 TRP 45 W 63 c ? -2.4 GLY 40 W 58 c ? -0.2 +3541 ILE 42 W 60 c ? HIS 38 W 56 c ? -1.7 PHE 44 W 62 c ? -0.2 ALA 46 W 64 c ? -2.1 GLY 40 W 58 c ? -0.2 +3542 VAL 43 W 61 c ? ALA 39 W 57 c ? -2.3 PHE 44 W 62 c ? -0.2 GLY 47 W 65 c ? -2.2 LEU 41 W 59 c ? -0.2 +3543 PHE 44 W 62 c ? GLY 40 W 58 c ? -2.8 ALA 39 W 57 c ? -0.2 ALA 48 W 66 c ? -3.4 MET 49 W 67 c ? -0.3 +3544 TRP 45 W 63 c ? LEU 41 W 59 c ? -2.4 ALA 46 W 64 c ? -0.2 MET 49 W 67 c ? -3.4 THR 50 W 68 c ? -0.3 +3545 ALA 46 W 64 c ? ILE 42 W 60 c ? -2.1 ALA 48 W 66 c ? -0.2 THR 50 W 68 c ? -1.4 TRP 45 W 63 c ? -0.2 +3546 GLY 47 W 65 c ? VAL 43 W 61 c ? -2.2 MET 49 W 67 c ? -0.2 LEU 51 W 69 c ? -1.8 TRP 45 W 63 c ? -0.2 +3547 ALA 48 W 66 c ? PHE 44 W 62 c ? -3.4 MET 49 W 67 c ? -0.2 PHE 52 W 70 c ? -1.9 ALA 46 W 64 c ? -0.2 +3548 MET 49 W 67 c ? TRP 45 W 63 c ? -3.4 PHE 44 W 62 c ? -0.3 GLU 53 W 71 c ? -2.8 ALA 48 W 66 c ? -0.2 +3549 THR 50 W 68 c ? ALA 46 W 64 c ? -1.4 TRP 45 W 63 c ? -0.3 LEU 54 W 72 c ? -2.9 MET 49 W 67 c ? -0.2 +3550 LEU 51 W 69 c ? GLY 47 W 65 c ? -1.8 GLU 53 W 71 c ? -0.2 ALA 55 W 73 c ? -2.5 THR 50 W 68 c ? -0.2 +3551 PHE 52 W 70 c ? ALA 48 W 66 c ? -1.9 LEU 54 W 72 c ? -0.2 HIS 56 W 74 c ? -1.7 THR 50 W 68 c ? -0.2 +3552 GLU 53 W 71 c ? MET 49 W 67 c ? -2.8 LEU 54 W 72 c ? -0.2 HIS 56 W 74 c ? -0.3 LEU 51 W 69 c ? -0.2 +3553 LEU 54 W 72 c ? THR 50 W 68 c ? -2.9 ALA 55 W 73 c ? -0.2 PHE 57 W 75 c ? -1.5 GLU 53 W 71 c ? -0.2 +3554 ALA 55 W 73 c ? LEU 51 W 69 c ? -2.5 HIS 56 W 74 c ? -0.3 LEU 2 AD 11 k ? -0.2 LEU 54 W 72 c ? -0.2 +3555 HIS 56 W 74 c ? PHE 52 W 70 c ? -1.7 GLU 53 W 71 c ? -0.3 ILE 58 W 76 c ? -0.4 ALA 55 W 73 c ? -0.3 +3556 PHE 57 W 75 c ? LEU 54 W 72 c ? -1.5 GLU 53 W 71 c ? -0.1 MET 63 W 81 c ? -0.1 LEU 54 W 72 c ? -0.0 +3557 ILE 58 W 76 c ? HIS 56 W 74 c ? -0.4 PRO 62 W 80 c ? -0.1 LYS 61 W 79 c ? -1.3 HIS 56 W 74 c ? -0.0 +3558 PRO 59 W 77 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 87 W 105 c ? -0.4 MET 63 W 81 c ? -0.1 +3559 GLU 60 W 78 c ? PRO 102 AJ 102 v ? -0.1 PRO 62 W 80 c ? -0.1 LYS 103 AJ 103 v ? -0.2 MET 104 AJ 104 v ? -0.1 +3560 LYS 61 W 79 c ? ILE 58 W 76 c ? -1.3 PRO 102 AJ 102 v ? -0.1 ILE 58 W 76 c ? -0.1 GLN 66 W 84 c ? -0.1 +3561 PRO 62 W 80 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 65 W 83 c ? -1.3 GLN 66 W 84 c ? -0.2 +3562 MET 63 W 81 c ? GLU 282 W 300 c ? -0.4 TYR 64 W 82 c ? -0.2 GLN 66 W 84 c ? -2.0 LEU 68 W 86 c ? -1.0 +3563 TYR 64 W 82 c ? GLU 282 W 300 c ? -0.3 GLU 65 W 83 c ? -0.3 VAL 402 W 420 c ? -0.3 GLY 67 W 85 c ? -0.3 +3564 GLU 65 W 83 c ? PRO 62 W 80 c ? -1.3 GLN 66 W 84 c ? -0.2 TYR 64 W 82 c ? -0.3 MET 63 W 81 c ? -0.2 +3565 GLN 66 W 84 c ? MET 63 W 81 c ? -2.0 PRO 62 W 80 c ? -0.2 TYR 64 W 82 c ? -0.2 GLU 65 W 83 c ? -0.2 +3566 GLY 67 W 85 c ? TYR 64 W 82 c ? -0.3 LEU 68 W 86 c ? -0.2 ILE 69 W 87 c ? -0.4 TYR 64 W 82 c ? -0.1 +3567 LEU 68 W 86 c ? MET 63 W 81 c ? -1.0 PHE 283 W 301 c ? -0.2 GLY 67 W 85 c ? -0.2 GLN 66 W 84 c ? -0.1 +3568 ILE 69 W 87 c ? GLY 67 W 85 c ? -0.4 TRP 407 W 425 c ? -0.0 HIS 73 W 91 c ? -0.3 LEU 68 W 86 c ? -0.1 +3569 LEU 70 W 88 c ? PRO 72 W 90 c ? -0.2 MET 49 W 67 c ? -0.1 ILE 74 W 92 c ? -1.7 HIS 73 W 91 c ? -1.1 +3570 ILE 71 W 89 c ? PRO 72 W 90 c ? -0.3 HIS 73 W 91 c ? -0.2 ALA 75 W 93 c ? -2.8 THR 76 W 94 c ? -0.2 +3571 PRO 72 W 90 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 76 W 94 c ? -1.6 ILE 71 W 89 c ? -0.3 +3572 HIS 73 W 91 c ? LEU 70 W 88 c ? -1.1 ILE 69 W 87 c ? -0.3 LEU 77 W 95 c ? -0.8 ILE 71 W 89 c ? -0.2 +3573 ILE 74 W 92 c ? LEU 70 W 88 c ? -1.7 ALA 75 W 93 c ? -0.2 TRP 79 W 97 c ? -1.4 LEU 77 W 95 c ? -0.7 +3574 ALA 75 W 93 c ? ILE 71 W 89 c ? -2.8 THR 76 W 94 c ? -0.2 GLY 78 W 96 c ? -2.0 ILE 74 W 92 c ? -0.2 +3575 THR 76 W 94 c ? PRO 72 W 90 c ? -1.6 LEU 77 W 95 c ? -0.3 TYR 168 W 186 c ? -2.2 ALA 75 W 93 c ? -0.2 +3576 LEU 77 W 95 c ? HIS 73 W 91 c ? -0.8 ILE 74 W 92 c ? -0.7 THR 76 W 94 c ? -0.3 ALA 75 W 93 c ? -0.2 +3577 GLY 78 W 96 c ? ALA 75 W 93 c ? -2.0 TRP 79 W 97 c ? -0.3 GLY 80 W 98 c ? -0.5 VAL 81 W 99 c ? -0.3 +3578 TRP 79 W 97 c ? ILE 74 W 92 c ? -1.4 GLY 80 W 98 c ? -0.2 GLY 78 W 96 c ? -0.3 LEU 77 W 95 c ? -0.1 +3579 GLY 80 W 98 c ? GLY 78 W 96 c ? -0.5 VAL 81 W 99 c ? -0.2 VAL 88 W 106 c ? -2.1 ASP 89 W 107 c ? -1.5 +3580 VAL 81 W 99 c ? GLY 78 W 96 c ? -0.3 VAL 87 W 105 c ? -0.3 VAL 87 W 105 c ? -0.2 GLY 80 W 98 c ? -0.2 +3581 GLY 82 W 100 c ? GLU 86 W 104 c ? -2.3 GLY 80 W 98 c ? -0.3 GLY 85 W 103 c ? -2.2 GLU 86 W 104 c ? -0.4 +3582 PRO 83 W 101 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 86 W 104 c ? -1.3 GLY 82 W 100 c ? -0.3 +3583 GLY 84 W 102 c ? GLY 176 W 194 c ? -3.5 GLY 85 W 103 c ? -0.2 ASP 177 W 195 c ? -0.2 GLY 176 W 194 c ? -0.1 +3584 GLY 85 W 103 c ? GLY 82 W 100 c ? -2.2 GLY 176 W 194 c ? -0.3 GLY 84 W 102 c ? -0.2 VAL 87 W 105 c ? -0.1 +3585 GLU 86 W 104 c ? PRO 83 W 101 c ? -1.3 GLY 82 W 100 c ? -0.4 GLY 82 W 100 c ? -2.3 VAL 88 W 106 c ? -0.5 +3586 VAL 87 W 105 c ? PRO 59 W 77 c ? -0.4 VAL 81 W 99 c ? -0.2 VAL 81 W 99 c ? -0.3 THR 90 W 108 c ? -0.1 +3587 VAL 88 W 106 c ? GLY 80 W 98 c ? -2.1 GLU 86 W 104 c ? -0.5 THR 90 W 108 c ? -0.3 VAL 81 W 99 c ? -0.2 +3588 ASP 89 W 107 c ? GLY 80 W 98 c ? -1.5 THR 90 W 108 c ? -0.1 PHE 93 W 111 c ? -0.3 VAL 88 W 106 c ? -0.3 +3589 THR 90 W 108 c ? VAL 88 W 106 c ? -0.3 PHE 91 W 109 c ? -0.2 PHE 94 W 112 c ? -1.7 PHE 93 W 111 c ? -0.4 +3590 PHE 91 W 109 c ? PRO 92 W 110 c ? -0.2 PHE 93 W 111 c ? -0.2 VAL 95 W 113 c ? -2.5 THR 90 W 108 c ? -0.2 +3591 PRO 92 W 110 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 96 W 114 c ? -2.3 PHE 91 W 109 c ? -0.2 +3592 PHE 93 W 111 c ? THR 90 W 108 c ? -0.4 ASP 89 W 107 c ? -0.3 GLY 97 W 115 c ? -2.0 PHE 91 W 109 c ? -0.2 +3593 PHE 94 W 112 c ? THR 90 W 108 c ? -1.7 VAL 96 W 114 c ? -0.2 VAL 98 W 116 c ? -2.7 PHE 93 W 111 c ? -0.2 +3594 VAL 95 W 113 c ? PHE 91 W 109 c ? -2.5 VAL 96 W 114 c ? -0.2 VAL 99 W 117 c ? -2.8 HIS 100 W 118 c ? -0.3 +3595 VAL 96 W 114 c ? PRO 92 W 110 c ? -2.3 GLY 97 W 115 c ? -0.2 HIS 100 W 118 c ? -1.6 VAL 95 W 113 c ? -0.2 +3596 GLY 97 W 115 c ? PHE 93 W 111 c ? -2.0 PRO 92 W 110 c ? -0.2 LEU 101 W 119 c ? -2.3 VAL 95 W 113 c ? -0.2 +3597 VAL 98 W 116 c ? PHE 94 W 112 c ? -2.7 HIS 100 W 118 c ? -0.2 ILE 102 W 120 c ? -2.9 SER 103 W 121 c ? -0.2 +3598 VAL 99 W 117 c ? VAL 95 W 113 c ? -2.8 HIS 100 W 118 c ? -0.2 SER 103 W 121 c ? -2.4 VAL 98 W 116 c ? -0.2 +3599 HIS 100 W 118 c ? VAL 96 W 114 c ? -1.6 VAL 95 W 113 c ? -0.3 SER 104 W 122 c ? -1.6 VAL 99 W 117 c ? -0.2 +3600 LEU 101 W 119 c ? GLY 97 W 115 c ? -2.3 ILE 102 W 120 c ? -0.2 ALA 105 W 123 c ? -0.8 VAL 99 W 117 c ? -0.2 +3601 ILE 102 W 120 c ? VAL 98 W 116 c ? -2.9 SER 103 W 121 c ? -0.2 VAL 106 W 124 c ? -0.9 ALA 105 W 123 c ? -0.8 +3602 SER 103 W 121 c ? VAL 99 W 117 c ? -2.4 VAL 98 W 116 c ? -0.2 LEU 107 W 125 c ? -1.8 ILE 102 W 120 c ? -0.2 +3603 SER 104 W 122 c ? HIS 100 W 118 c ? -1.6 ALA 105 W 123 c ? -0.2 GLY 108 W 126 c ? -3.2 SER 103 W 121 c ? -0.2 +3604 ALA 105 W 123 c ? LEU 101 W 119 c ? -0.8 ILE 102 W 120 c ? -0.8 PHE 109 W 127 c ? -2.4 SER 104 W 122 c ? -0.2 +3605 VAL 106 W 124 c ? ILE 102 W 120 c ? -0.9 GLY 108 W 126 c ? -0.2 GLY 110 W 128 c ? -2.2 SER 104 W 122 c ? -0.2 +3606 LEU 107 W 125 c ? SER 103 W 121 c ? -1.8 PHE 109 W 127 c ? -0.2 GLY 111 W 129 c ? -3.1 ALA 105 W 123 c ? -0.2 +3607 GLY 108 W 126 c ? SER 104 W 122 c ? -3.2 GLY 110 W 128 c ? -0.2 VAL 112 W 130 c ? -2.7 TYR 113 W 131 c ? -0.2 +3608 PHE 109 W 127 c ? ALA 105 W 123 c ? -2.4 GLY 111 W 129 c ? -0.2 TYR 113 W 131 c ? -2.3 LEU 107 W 125 c ? -0.2 +3609 GLY 110 W 128 c ? VAL 106 W 124 c ? -2.2 VAL 112 W 130 c ? -0.2 HIS 114 W 132 c ? -2.7 ALA 115 W 133 c ? -0.3 +3610 GLY 111 W 129 c ? LEU 107 W 125 c ? -3.1 VAL 36 W 54 c ? -0.3 ALA 115 W 133 c ? -2.1 ALA 37 W 55 c ? -0.2 +3611 VAL 112 W 130 c ? GLY 108 W 126 c ? -2.7 HIS 114 W 132 c ? -0.2 ILE 116 W 134 c ? -1.9 ARG 117 W 135 c ? -0.7 +3612 TYR 113 W 131 c ? PHE 109 W 127 c ? -2.3 GLY 108 W 126 c ? -0.2 GLY 118 W 136 c ? -3.0 ARG 117 W 135 c ? -1.6 +3613 HIS 114 W 132 c ? GLY 110 W 128 c ? -2.7 ALA 115 W 133 c ? -0.2 GLY 33 W 51 c ? -0.3 VAL 112 W 130 c ? -0.2 +3614 ALA 115 W 133 c ? GLY 111 W 129 c ? -2.1 GLY 110 W 128 c ? -0.3 HIS 114 W 132 c ? -0.2 TYR 113 W 131 c ? -0.2 +3615 ILE 116 W 134 c ? VAL 112 W 130 c ? -1.9 TYR 113 W 131 c ? -0.4 TYR 113 W 131 c ? -0.2 HIS 114 W 132 c ? -0.2 +3616 ARG 117 W 135 c ? TYR 113 W 131 c ? -1.6 VAL 112 W 130 c ? -0.7 HIS 114 W 132 c ? -0.2 TYR 113 W 131 c ? -0.1 +3617 GLY 118 W 136 c ? TYR 113 W 131 c ? -3.0 PRO 119 W 137 c ? -0.2 LYS 30 W 48 c ? -0.1 HIS 114 W 132 c ? -0.0 +3618 PRO 119 W 137 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 118 W 136 c ? -0.2 ARG 117 W 135 c ? -0.1 +3619 GLU 120 W 138 c ? GLY 29 W 47 c ? -0.2 THR 121 W 139 c ? -0.1 LYS 30 W 48 c ? -1.5 GLY 29 W 47 c ? -1.2 +3620 THR 121 W 139 c ? SER 28 W 46 c ? -0.2 GLY 29 W 47 c ? -0.2 TYR 125 W 143 c ? -0.3 GLU 120 W 138 c ? -0.1 +3621 LEU 122 W 140 c ? GLU 120 W 138 c ? -0.3 TYR 131 W 149 c ? -0.1 SER 126 W 144 c ? -2.8 GLY 130 W 148 c ? -0.4 +3622 GLU 123 W 141 c ? GLU 124 W 142 c ? -0.2 TYR 125 W 143 c ? -0.2 GLY 130 W 148 c ? -0.1 LEU 122 W 140 c ? -0.1 +3623 GLU 124 W 142 c ? TYR 125 W 143 c ? -0.1 THR 121 W 139 c ? -0.1 GLU 123 W 141 c ? -0.2 SER 127 W 145 c ? -0.2 +3624 TYR 125 W 143 c ? THR 121 W 139 c ? -0.3 SER 126 W 144 c ? -0.3 SER 127 W 145 c ? -0.3 GLU 123 W 141 c ? -0.2 +3625 SER 126 W 144 c ? LEU 122 W 140 c ? -2.8 SER 127 W 145 c ? -0.1 GLY 130 W 148 c ? -1.6 TYR 125 W 143 c ? -0.3 +3626 SER 127 W 145 c ? TYR 125 W 143 c ? -0.3 PHE 129 W 147 c ? -0.2 SER 126 W 144 c ? -0.1 GLU 123 W 141 c ? -0.1 +3627 PHE 128 W 146 c ? PHE 129 W 147 c ? -0.2 TYR 125 W 143 c ? -0.1 SER 127 W 145 c ? -0.1 GLU 123 W 141 c ? -0.1 +3628 PHE 129 W 147 c ? LEU 122 W 140 c ? -0.2 TYR 131 W 149 c ? -0.0 PHE 128 W 146 c ? -0.2 SER 127 W 145 c ? -0.2 +3629 GLY 130 W 148 c ? SER 126 W 144 c ? -1.6 LEU 122 W 140 c ? -0.4 ASP 132 W 150 c ? -0.3 THR 121 W 139 c ? -0.0 +3630 TYR 131 W 149 c ? PHE 129 W 147 c ? -0.1 MET 139 W 157 c ? -0.0 TRP 133 W 151 c ? -0.4 SER 28 W 46 c ? -0.2 +3631 ASP 132 W 150 c ? GLY 130 W 148 c ? -0.3 ASP 135 W 153 c ? -0.1 ASP 135 W 153 c ? -2.4 MET 139 W 157 c ? -0.2 +3632 TRP 133 W 151 c ? TYR 131 W 149 c ? -0.4 LYS 134 W 152 c ? -0.3 ASP 132 W 150 c ? -0.1 MET 139 W 157 c ? -0.1 +3633 LYS 134 W 152 c ? ASP 135 W 153 c ? -0.1 TYR 131 W 149 c ? -0.0 LYS 136 W 154 c ? -1.3 TRP 133 W 151 c ? -0.3 +3634 ASP 135 W 153 c ? ASP 132 W 150 c ? -2.4 LYS 136 W 154 c ? -0.2 MET 139 W 157 c ? -2.2 THR 140 W 158 c ? -0.2 +3635 LYS 136 W 154 c ? LYS 134 W 152 c ? -1.3 LYS 138 W 156 c ? -0.2 THR 140 W 158 c ? -1.9 ASP 135 W 153 c ? -0.2 +3636 ASN 137 W 155 c ? LYS 138 W 156 c ? -0.2 MET 139 W 157 c ? -0.2 THR 141 W 159 c ? -1.6 LYS 136 W 154 c ? -0.2 +3637 LYS 138 W 156 c ? MET 139 W 157 c ? -0.2 THR 140 W 158 c ? -0.2 ILE 142 W 160 c ? -1.9 LYS 136 W 154 c ? -0.2 +3638 MET 139 W 157 c ? ASP 135 W 153 c ? -2.2 THR 140 W 158 c ? -0.2 LEU 143 W 161 c ? -2.0 LYS 138 W 156 c ? -0.2 +3639 THR 140 W 158 c ? LYS 136 W 154 c ? -1.9 ILE 142 W 160 c ? -0.2 GLY 144 W 162 c ? -2.6 MET 139 W 157 c ? -0.2 +3640 THR 141 W 159 c ? ASN 137 W 155 c ? -1.6 LEU 143 W 161 c ? -0.2 PHE 145 W 163 c ? -2.4 MET 139 W 157 c ? -0.2 +3641 ILE 142 W 160 c ? LYS 138 W 156 c ? -1.9 GLY 144 W 162 c ? -0.2 HIS 146 W 164 c ? -1.9 THR 140 W 158 c ? -0.2 +3642 LEU 143 W 161 c ? MET 139 W 157 c ? -2.0 PHE 145 W 163 c ? -0.2 LEU 147 W 165 c ? -2.2 THR 141 W 159 c ? -0.2 +3643 GLY 144 W 162 c ? THR 140 W 158 c ? -2.6 PHE 145 W 163 c ? -0.2 ILE 148 W 166 c ? -1.8 ILE 142 W 160 c ? -0.2 +3644 PHE 145 W 163 c ? THR 141 W 159 c ? -2.4 HIS 146 W 164 c ? -0.2 VAL 149 W 167 c ? -1.8 GLY 144 W 162 c ? -0.2 +3645 HIS 146 W 164 c ? ILE 142 W 160 c ? -1.9 LEU 147 W 165 c ? -0.2 LEU 150 W 168 c ? -2.4 PHE 145 W 163 c ? -0.2 +3646 LEU 147 W 165 c ? LEU 143 W 161 c ? -2.2 VAL 149 W 167 c ? -0.2 GLY 151 W 169 c ? -2.6 HIS 146 W 164 c ? -0.2 +3647 ILE 148 W 166 c ? GLY 144 W 162 c ? -1.8 LEU 150 W 168 c ? -0.2 ILE 152 W 170 c ? -2.3 HIS 146 W 164 c ? -0.2 +3648 VAL 149 W 167 c ? PHE 145 W 163 c ? -1.8 GLY 151 W 169 c ? -0.2 GLY 153 W 171 c ? -2.1 LEU 147 W 165 c ? -0.2 +3649 LEU 150 W 168 c ? HIS 146 W 164 c ? -2.4 ILE 152 W 170 c ? -0.2 ALA 154 W 172 c ? -2.0 ILE 148 W 166 c ? -0.2 +3650 GLY 151 W 169 c ? LEU 147 W 165 c ? -2.6 GLY 153 W 171 c ? -0.2 LEU 155 W 173 c ? -2.0 LEU 150 W 168 c ? -0.2 +3651 ILE 152 W 170 c ? ILE 148 W 166 c ? -2.3 GLY 153 W 171 c ? -0.2 LEU 156 W 174 c ? -1.7 GLY 151 W 169 c ? -0.2 +3652 GLY 153 W 171 c ? VAL 149 W 167 c ? -2.1 ALA 154 W 172 c ? -0.2 LEU 157 W 175 c ? -0.8 GLY 151 W 169 c ? -0.2 +3653 ALA 154 W 172 c ? LEU 150 W 168 c ? -2.0 LEU 155 W 173 c ? -0.2 VAL 158 W 176 c ? -1.3 LEU 157 W 175 c ? -0.8 +3654 LEU 155 W 173 c ? GLY 151 W 169 c ? -2.0 LEU 156 W 174 c ? -0.2 ALA 159 W 177 c ? -2.6 ALA 154 W 172 c ? -0.2 +3655 LEU 156 W 174 c ? ILE 152 W 170 c ? -1.7 LEU 157 W 175 c ? -0.2 LYS 160 W 178 c ? -2.0 LEU 155 W 173 c ? -0.2 +3656 LEU 157 W 175 c ? GLY 153 W 171 c ? -0.8 ALA 154 W 172 c ? -0.8 ALA 161 W 179 c ? -2.1 LEU 156 W 174 c ? -0.2 +3657 VAL 158 W 176 c ? ALA 154 W 172 c ? -1.3 LYS 160 W 178 c ? -0.2 MET 162 W 180 c ? -2.7 PHE 163 W 181 c ? -0.3 +3658 ALA 159 W 177 c ? LEU 155 W 173 c ? -2.6 LYS 160 W 178 c ? -0.2 PHE 163 W 181 c ? -2.9 PHE 164 W 182 c ? -1.2 +3659 LYS 160 W 178 c ? LEU 156 W 174 c ? -2.0 PHE 163 W 181 c ? -0.2 GLY 166 W 184 c ? -2.4 PHE 164 W 182 c ? -0.7 +3660 ALA 161 W 179 c ? LEU 157 W 175 c ? -2.1 GLY 165 W 183 c ? -0.2 ILE 181 W 199 c ? -2.1 LEU 167 W 185 c ? -0.3 +3661 MET 162 W 180 c ? VAL 158 W 176 c ? -2.7 VAL 180 W 198 c ? -0.2 ALA 159 W 177 c ? -0.2 LYS 160 W 178 c ? -0.2 +3662 PHE 163 W 181 c ? ALA 159 W 177 c ? -2.9 VAL 158 W 176 c ? -0.3 LYS 160 W 178 c ? -0.2 ALA 161 W 179 c ? -0.1 +3663 PHE 164 W 182 c ? ALA 159 W 177 c ? -1.2 LYS 160 W 178 c ? -0.7 PHE 163 W 181 c ? -0.1 MET 162 W 180 c ? -0.1 +3664 GLY 165 W 183 c ? MET 162 W 180 c ? -0.1 ALA 161 W 179 c ? -0.1 LEU 167 W 185 c ? -0.2 ALA 161 W 179 c ? -0.2 +3665 GLY 166 W 184 c ? LYS 160 W 178 c ? -2.4 ALA 159 W 177 c ? -0.2 TYR 168 W 186 c ? -0.3 VAL 180 W 198 c ? -0.3 +3666 LEU 167 W 185 c ? ARG 179 W 197 c ? -2.2 ALA 161 W 179 c ? -0.3 ARG 179 W 197 c ? -2.5 ASP 169 W 187 c ? -0.4 +3667 TYR 168 W 186 c ? THR 76 W 94 c ? -2.2 GLY 166 W 184 c ? -0.3 THR 170 W 188 c ? -0.6 VAL 178 W 196 c ? -0.3 +3668 ASP 169 W 187 c ? ASP 177 W 195 c ? -3.2 LEU 167 W 185 c ? -0.4 ASP 177 W 195 c ? -1.7 ALA 172 W 190 c ? -1.5 +3669 THR 170 W 188 c ? TYR 168 W 186 c ? -0.6 THR 277 W 295 c ? -0.4 ASP 169 W 187 c ? -0.1 GLY 175 W 193 c ? -0.1 +3670 TRP 171 W 189 c ? ASP 177 W 195 c ? -0.1 TYR 168 W 186 c ? -0.1 THR 170 W 188 c ? -0.3 GLY 175 W 193 c ? -0.1 +3671 ALA 172 W 190 c ? ASP 169 W 187 c ? -1.5 ASP 177 W 195 c ? -0.2 GLY 175 W 193 c ? -1.3 GLY 176 W 194 c ? -1.1 +3672 PRO 173 W 191 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 172 W 190 c ? -0.1 THR 170 W 188 c ? -0.0 +3673 GLY 174 W 192 c ? GLY 175 W 193 c ? -0.0 ? ? ? ? ? ? ? ALA 172 W 190 c ? -0.1 TRP 171 W 189 c ? -0.0 +3674 GLY 175 W 193 c ? ALA 172 W 190 c ? -1.3 PRO 83 W 101 c ? -0.1 ALA 172 W 190 c ? -0.1 TRP 347 W 365 c ? -0.1 +3675 GLY 176 W 194 c ? ALA 172 W 190 c ? -1.1 PRO 83 W 101 c ? -0.1 GLY 84 W 102 c ? -3.5 GLY 85 W 103 c ? -0.3 +3676 ASP 177 W 195 c ? ASP 169 W 187 c ? -1.7 PRO 83 W 101 c ? -0.3 ASP 169 W 187 c ? -3.2 ARG 179 W 197 c ? -0.4 +3677 VAL 178 W 196 c ? GLY 176 W 194 c ? -0.3 TYR 168 W 186 c ? -0.3 VAL 180 W 198 c ? -0.4 TYR 168 W 186 c ? -0.2 +3678 ARG 179 W 197 c ? LEU 167 W 185 c ? -2.5 ASP 177 W 195 c ? -0.4 LEU 167 W 185 c ? -2.2 ILE 181 W 199 c ? -0.3 +3679 VAL 180 W 198 c ? VAL 178 W 196 c ? -0.4 GLY 166 W 184 c ? -0.3 THR 182 W 200 c ? -0.8 MET 162 W 180 c ? -0.2 +3680 ILE 181 W 199 c ? ALA 161 W 179 c ? -2.1 ARG 179 W 197 c ? -0.3 GLY 166 W 184 c ? -0.1 VAL 180 W 198 c ? -0.0 +3681 THR 182 W 200 c ? VAL 180 W 198 c ? -0.8 ASN 183 W 201 c ? -0.2 ILE 181 W 199 c ? -0.2 MET 162 W 180 c ? -0.1 +3682 ASN 183 W 201 c ? THR 185 W 203 c ? -0.0 LEU 186 W 204 c ? -0.0 THR 182 W 200 c ? -0.2 THR 185 W 203 c ? -0.1 +3683 PRO 184 W 202 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 186 W 204 c ? -0.5 ASP 214 W 232 c ? -0.2 +3684 THR 185 W 203 c ? GLU 213 W 231 c ? -1.8 LEU 186 W 204 c ? -0.2 ILE 220 W 238 c ? -0.1 ASN 183 W 201 c ? -0.0 +3685 LEU 186 W 204 c ? PRO 184 W 202 c ? -0.5 ILE 220 W 238 c ? -0.1 THR 185 W 203 c ? -0.2 ASP 214 W 232 c ? -0.0 +3686 ASP 187 W 205 c ? PRO 188 W 206 c ? -0.2 ARG 189 W 207 c ? -0.1 ILE 191 W 209 c ? -2.0 VAL 190 W 208 c ? -1.5 +3687 PRO 188 W 206 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 192 W 210 c ? -2.6 GLY 193 W 211 c ? -0.5 +3688 ARG 189 W 207 c ? ILE 191 W 209 c ? -0.2 PHE 192 W 210 c ? -0.2 GLY 193 W 211 c ? -0.1 ASP 187 W 205 c ? -0.1 +3689 VAL 190 W 208 c ? ASP 187 W 205 c ? -1.5 GLY 193 W 211 c ? -0.1 TYR 194 W 212 c ? -1.1 ARG 189 W 207 c ? -0.2 +3690 ILE 191 W 209 c ? ASP 187 W 205 c ? -2.0 PHE 192 W 210 c ? -0.2 TYR 194 W 212 c ? -0.6 LEU 195 W 213 c ? -0.5 +3691 PHE 192 W 210 c ? PRO 188 W 206 c ? -2.6 GLY 193 W 211 c ? -0.2 LEU 196 W 214 c ? -0.8 LEU 195 W 213 c ? -0.5 +3692 GLY 193 W 211 c ? PRO 188 W 206 c ? -0.5 TYR 194 W 212 c ? -0.2 LEU 196 W 214 c ? -0.4 LYS 197 W 215 c ? -0.3 +3693 TYR 194 W 212 c ? VAL 190 W 208 c ? -1.1 ILE 191 W 209 c ? -0.6 LYS 197 W 215 c ? -0.8 GLY 193 W 211 c ? -0.2 +3694 LEU 195 W 213 c ? PHE 192 W 210 c ? -0.5 ILE 191 W 209 c ? -0.5 TYR 194 W 212 c ? -0.2 GLY 193 W 211 c ? -0.2 +3695 LEU 196 W 214 c ? PHE 192 W 210 c ? -0.8 GLY 193 W 211 c ? -0.4 LEU 195 W 213 c ? -0.2 SER 198 W 216 c ? -0.2 +3696 LYS 197 W 215 c ? TYR 194 W 212 c ? -0.8 GLY 193 W 211 c ? -0.3 ILE 206 W 224 c ? -0.1 GLU 203 W 221 c ? -0.1 +3697 SER 198 W 216 c ? LEU 196 W 214 c ? -0.2 PRO 199 W 217 c ? -0.1 TRP 205 W 223 c ? -2.2 GLY 204 W 222 c ? -0.2 +3698 PRO 199 W 217 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 198 W 216 c ? -0.1 GLY 202 W 220 c ? -0.1 +3699 PHE 200 W 218 c ? GLY 201 W 219 c ? -0.2 GLY 202 W 220 c ? -0.0 GLY 204 W 222 c ? -2.0 GLU 203 W 221 c ? -1.8 +3700 GLY 201 W 219 c ? LEU 81 U 91 a ? -1.8 GLY 202 W 220 c ? -0.2 PHE 83 U 93 a ? -0.4 PHE 200 W 218 c ? -0.2 +3701 GLY 202 W 220 c ? GLU 203 W 221 c ? -0.2 HIS 82 U 92 a ? -0.1 GLY 201 W 219 c ? -0.2 SER 198 W 216 c ? -0.0 +3702 GLU 203 W 221 c ? PHE 200 W 218 c ? -1.8 LYS 197 W 215 c ? -0.1 GLY 201 W 219 c ? -0.2 GLY 202 W 220 c ? -0.2 +3703 GLY 204 W 222 c ? PHE 200 W 218 c ? -2.0 SER 198 W 216 c ? -0.2 VAL 207 W 225 c ? -1.5 SER 208 W 226 c ? -0.4 +3704 TRP 205 W 223 c ? SER 198 W 216 c ? -2.2 ILE 206 W 224 c ? -0.3 SER 208 W 226 c ? -0.9 SER 198 W 216 c ? -0.1 +3705 ILE 206 W 224 c ? VAL 207 W 225 c ? -0.2 SER 208 W 226 c ? -0.1 VAL 209 W 227 c ? -1.6 TRP 205 W 223 c ? -0.3 +3706 VAL 207 W 225 c ? GLY 204 W 222 c ? -1.5 SER 208 W 226 c ? -0.3 ILE 206 W 224 c ? -0.2 TRP 205 W 223 c ? -0.2 +3707 SER 208 W 226 c ? TRP 205 W 223 c ? -0.9 GLY 204 W 222 c ? -0.4 VAL 207 W 225 c ? -0.3 ILE 206 W 224 c ? -0.1 +3708 VAL 209 W 227 c ? ILE 206 W 224 c ? -1.6 GLY 204 W 222 c ? -0.2 VAL 278 W 296 c ? -0.3 THR 277 W 295 c ? -0.3 +3709 ASN 210 W 228 c ? SER 208 W 226 c ? -0.1 THR 277 W 295 c ? -0.1 LEU 212 W 230 c ? -0.3 VAL 209 W 227 c ? -0.1 +3710 ASN 211 W 229 c ? LEU 212 W 230 c ? -0.1 THR 170 W 188 c ? -0.0 VAL 215 W 233 c ? -1.3 ASP 214 W 232 c ? -0.2 +3711 LEU 212 W 230 c ? ASN 210 W 228 c ? -0.3 GLU 213 W 231 c ? -0.2 VAL 216 W 234 c ? -3.4 GLY 217 W 235 c ? -0.3 +3712 GLU 213 W 231 c ? ASP 214 W 232 c ? -0.2 VAL 215 W 233 c ? -0.2 GLY 217 W 235 c ? -2.4 THR 185 W 203 c ? -1.8 +3713 ASP 214 W 232 c ? VAL 216 W 234 c ? -0.2 ASN 211 W 229 c ? -0.2 GLY 218 W 236 c ? -2.2 GLU 213 W 231 c ? -0.2 +3714 VAL 215 W 233 c ? ASN 211 W 229 c ? -1.3 GLY 217 W 235 c ? -0.2 HIS 219 W 237 c ? -1.4 GLU 213 W 231 c ? -0.2 +3715 VAL 216 W 234 c ? LEU 212 W 230 c ? -3.4 GLY 217 W 235 c ? -0.2 ILE 220 W 238 c ? -1.5 HIS 219 W 237 c ? -0.3 +3716 GLY 217 W 235 c ? GLU 213 W 231 c ? -2.4 LEU 212 W 230 c ? -0.3 TRP 221 W 239 c ? -1.9 VAL 216 W 234 c ? -0.2 +3717 GLY 218 W 236 c ? ASP 214 W 232 c ? -2.2 HIS 219 W 237 c ? -0.2 ILE 222 W 240 c ? -2.2 GLY 217 W 235 c ? -0.2 +3718 HIS 219 W 237 c ? VAL 215 W 233 c ? -1.4 VAL 216 W 234 c ? -0.3 GLY 223 W 241 c ? -2.4 GLY 218 W 236 c ? -0.2 +3719 ILE 220 W 238 c ? VAL 216 W 234 c ? -1.5 ILE 222 W 240 c ? -0.2 LEU 224 W 242 c ? -2.1 ILE 225 W 243 c ? -0.2 +3720 TRP 221 W 239 c ? GLY 217 W 235 c ? -1.9 ILE 222 W 240 c ? -0.2 ILE 225 W 243 c ? -2.7 HIS 219 W 237 c ? -0.2 +3721 ILE 222 W 240 c ? GLY 218 W 236 c ? -2.2 GLY 223 W 241 c ? -0.2 CYS 226 W 244 c ? -2.4 TRP 221 W 239 c ? -0.2 +3722 GLY 223 W 241 c ? HIS 219 W 237 c ? -2.4 ILE 225 W 243 c ? -0.2 ILE 227 W 245 c ? -2.0 ILE 222 W 240 c ? -0.2 +3723 LEU 224 W 242 c ? ILE 220 W 238 c ? -2.1 CYS 226 W 244 c ? -0.2 ALA 228 W 246 c ? -2.9 GLY 229 W 247 c ? -0.2 +3724 ILE 225 W 243 c ? TRP 221 W 239 c ? -2.7 CYS 226 W 244 c ? -0.2 GLY 229 W 247 c ? -3.0 GLY 223 W 241 c ? -0.2 +3725 CYS 226 W 244 c ? ILE 222 W 240 c ? -2.4 ALA 228 W 246 c ? -0.2 GLY 230 W 248 c ? -2.3 ILE 225 W 243 c ? -0.2 +3726 ILE 227 W 245 c ? GLY 223 W 241 c ? -2.0 GLY 229 W 247 c ? -0.2 ILE 231 W 249 c ? -2.3 ILE 225 W 243 c ? -0.2 +3727 ALA 228 W 246 c ? LEU 224 W 242 c ? -2.9 GLY 229 W 247 c ? -0.2 TRP 232 W 250 c ? -2.7 CYS 226 W 244 c ? -0.2 +3728 GLY 229 W 247 c ? ILE 225 W 243 c ? -3.0 GLY 230 W 248 c ? -0.2 HIS 233 W 251 c ? -2.5 ALA 228 W 246 c ? -0.2 +3729 GLY 230 W 248 c ? CYS 226 W 244 c ? -2.3 TRP 232 W 250 c ? -0.2 ILE 234 W 252 c ? -1.4 ALA 228 W 246 c ? -0.2 +3730 ILE 231 W 249 c ? ILE 227 W 245 c ? -2.3 HIS 233 W 251 c ? -0.2 LEU 235 W 253 c ? -2.4 ILE 234 W 252 c ? -0.6 +3731 TRP 232 W 250 c ? ALA 228 W 246 c ? -2.7 HIS 233 W 251 c ? -0.2 THR 236 W 254 c ? -1.5 GLY 230 W 248 c ? -0.2 +3732 HIS 233 W 251 c ? GLY 229 W 247 c ? -2.5 LEU 235 W 253 c ? -0.2 TRP 232 W 250 c ? -0.2 ILE 231 W 249 c ? -0.2 +3733 ILE 234 W 252 c ? GLY 230 W 248 c ? -1.4 ILE 231 W 249 c ? -0.6 HIS 233 W 251 c ? -0.2 TRP 232 W 250 c ? -0.2 +3734 LEU 235 W 253 c ? ILE 231 W 249 c ? -2.4 GLY 230 W 248 c ? -0.1 HIS 233 W 251 c ? -0.2 THR 237 W 255 c ? -0.2 +3735 THR 236 W 254 c ? TRP 232 W 250 c ? -1.5 ILE 231 W 249 c ? -0.2 THR 140 W 158 c ? -0.1 THR 141 W 159 c ? -0.0 +3736 THR 237 W 255 c ? LEU 235 W 253 c ? -0.2 THR 140 W 158 c ? -0.1 ASN 137 W 155 c ? -0.1 ILE 234 W 252 c ? -0.0 +3737 PRO 238 W 256 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASN 137 W 155 c ? -0.1 LYS 136 W 154 c ? -0.1 +3738 PHE 239 W 257 c ? GLY 240 W 258 c ? -0.1 ARG 243 W 261 c ? -0.0 ARG 243 W 261 c ? -2.5 ALA 242 W 260 c ? -0.9 +3739 GLY 240 W 258 c ? TRP 241 W 259 c ? -0.3 ALA 242 W 260 c ? -0.2 ARG 244 W 262 c ? -2.4 ALA 245 W 263 c ? -0.2 +3740 TRP 241 W 259 c ? ALA 242 W 260 c ? -0.2 ARG 243 W 261 c ? -0.2 ALA 245 W 263 c ? -0.4 GLY 240 W 258 c ? -0.3 +3741 ALA 242 W 260 c ? PHE 239 W 257 c ? -0.9 ARG 244 W 262 c ? -0.2 PHE 246 W 264 c ? -1.4 ALA 245 W 263 c ? -0.8 +3742 ARG 243 W 261 c ? PHE 239 W 257 c ? -2.5 ARG 244 W 262 c ? -0.3 PHE 246 W 264 c ? -0.3 TRP 241 W 259 c ? -0.2 +3743 ARG 244 W 262 c ? GLY 240 W 258 c ? -2.4 ALA 245 W 263 c ? -0.2 ALA 29 AB 29 i ? -0.3 ARG 243 W 261 c ? -0.3 +3744 ALA 245 W 263 c ? ALA 242 W 260 c ? -0.8 TRP 241 W 259 c ? -0.4 ILE 247 W 265 c ? -0.2 ARG 244 W 262 c ? -0.2 +3745 PHE 246 W 264 c ? ALA 242 W 260 c ? -1.4 ARG 243 W 261 c ? -0.3 TRP 248 W 266 c ? -0.5 ALA 252 W 270 c ? -0.0 +3746 ILE 247 W 265 c ? ALA 245 W 263 c ? -0.2 SER 249 W 267 c ? -0.1 SER 249 W 267 c ? -0.8 ARG 431 W 449 c ? -0.1 +3747 TRP 248 W 266 c ? PHE 246 W 264 c ? -0.5 ALA 252 W 270 c ? -0.1 GLY 250 W 268 c ? -0.3 GLU 251 W 269 c ? -0.1 +3748 SER 249 W 267 c ? ILE 247 W 265 c ? -0.8 GLY 250 W 268 c ? -0.1 TYR 253 W 271 c ? -2.4 LEU 254 W 272 c ? -0.2 +3749 GLY 250 W 268 c ? TRP 248 W 266 c ? -0.3 GLU 251 W 269 c ? -0.2 LEU 254 W 272 c ? -2.1 SER 255 W 273 c ? -0.1 +3750 GLU 251 W 269 c ? ALA 252 W 270 c ? -0.2 TYR 253 W 271 c ? -0.2 SER 255 W 273 c ? -2.2 GLY 250 W 268 c ? -0.2 +3751 ALA 252 W 270 c ? LEU 254 W 272 c ? -0.2 TYR 253 W 271 c ? -0.2 TYR 256 W 274 c ? -2.2 GLU 251 W 269 c ? -0.2 +3752 TYR 253 W 271 c ? SER 249 W 267 c ? -2.4 LEU 254 W 272 c ? -0.2 SER 257 W 275 c ? -1.8 GLU 251 W 269 c ? -0.2 +3753 LEU 254 W 272 c ? GLY 250 W 268 c ? -2.1 SER 255 W 273 c ? -0.2 LEU 258 W 276 c ? -2.1 TYR 253 W 271 c ? -0.2 +3754 SER 255 W 273 c ? GLU 251 W 269 c ? -2.2 TYR 256 W 274 c ? -0.2 GLY 259 W 277 c ? -1.9 TYR 253 W 271 c ? -0.2 +3755 TYR 256 W 274 c ? ALA 252 W 270 c ? -2.2 SER 257 W 275 c ? -0.2 ALA 260 W 278 c ? -1.8 SER 255 W 273 c ? -0.2 +3756 SER 257 W 275 c ? TYR 253 W 271 c ? -1.8 GLY 259 W 277 c ? -0.2 LEU 261 W 279 c ? -3.0 TYR 256 W 274 c ? -0.2 +3757 LEU 258 W 276 c ? LEU 254 W 272 c ? -2.1 ALA 260 W 278 c ? -0.2 SER 262 W 280 c ? -2.0 HIS 423 W 441 c ? -0.2 +3758 GLY 259 W 277 c ? SER 255 W 273 c ? -1.9 LEU 261 W 279 c ? -0.2 MET 263 W 281 c ? -2.2 SER 257 W 275 c ? -0.2 +3759 ALA 260 W 278 c ? TYR 256 W 274 c ? -1.8 LEU 261 W 279 c ? -0.2 MET 264 W 282 c ? -2.5 LEU 258 W 276 c ? -0.2 +3760 LEU 261 W 279 c ? SER 257 W 275 c ? -3.0 SER 262 W 280 c ? -0.2 GLY 265 W 283 c ? -2.6 ALA 260 W 278 c ? -0.2 +3761 SER 262 W 280 c ? LEU 258 W 276 c ? -2.0 PHE 419 W 437 c ? -0.2 PHE 266 W 284 c ? -2.0 LEU 261 W 279 c ? -0.2 +3762 MET 263 W 281 c ? GLY 259 W 277 c ? -2.2 MET 264 W 282 c ? -0.2 ILE 267 W 285 c ? -1.8 LEU 261 W 279 c ? -0.2 +3763 MET 264 W 282 c ? ALA 260 W 278 c ? -2.5 GLY 265 W 283 c ? -0.2 ALA 268 W 286 c ? -2.8 MET 263 W 281 c ? -0.2 +3764 GLY 265 W 283 c ? LEU 261 W 279 c ? -2.6 PHE 266 W 284 c ? -0.2 THR 269 W 287 c ? -1.6 MET 264 W 282 c ? -0.2 +3765 PHE 266 W 284 c ? SER 262 W 280 c ? -2.0 ALA 268 W 286 c ? -0.2 CYS 270 W 288 c ? -1.6 GLY 265 W 283 c ? -0.2 +3766 ILE 267 W 285 c ? MET 263 W 281 c ? -1.8 ALA 268 W 286 c ? -0.2 PHE 271 W 289 c ? -2.7 GLY 265 W 283 c ? -0.2 +3767 ALA 268 W 286 c ? MET 264 W 282 c ? -2.8 THR 269 W 287 c ? -0.2 VAL 272 W 290 c ? -2.4 TRP 273 W 291 c ? -0.2 +3768 THR 269 W 287 c ? GLY 265 W 283 c ? -1.6 CYS 270 W 288 c ? -0.2 TRP 273 W 291 c ? -1.0 ALA 268 W 286 c ? -0.2 +3769 CYS 270 W 288 c ? PHE 266 W 284 c ? -1.6 VAL 272 W 290 c ? -0.2 PHE 274 W 292 c ? -2.1 ASN 275 W 293 c ? -0.4 +3770 PHE 271 W 289 c ? ILE 267 W 285 c ? -2.7 VAL 272 W 290 c ? -0.2 ASN 275 W 293 c ? -2.4 THR 269 W 287 c ? -0.2 +3771 VAL 272 W 290 c ? ALA 268 W 286 c ? -2.4 TRP 273 W 291 c ? -0.2 PHE 271 W 289 c ? -0.2 CYS 270 W 288 c ? -0.2 +3772 TRP 273 W 291 c ? THR 269 W 287 c ? -1.0 ALA 268 W 286 c ? -0.2 GLY 288 W 306 c ? -0.7 VAL 272 W 290 c ? -0.2 +3773 PHE 274 W 292 c ? CYS 270 W 288 c ? -2.1 PHE 271 W 289 c ? -0.2 ASN 276 W 294 c ? -0.4 VAL 272 W 290 c ? -0.2 +3774 ASN 275 W 293 c ? PHE 271 W 289 c ? -2.4 CYS 270 W 288 c ? -0.4 SER 208 W 226 c ? -0.1 ASN 210 W 228 c ? -0.1 +3775 ASN 276 W 294 c ? PHE 274 W 292 c ? -0.4 ARG 344 W 362 c ? -0.2 SER 281 W 299 c ? -0.6 GLU 282 W 300 c ? -0.2 +3776 THR 277 W 295 c ? VAL 209 W 227 c ? -0.3 PRO 280 W 298 c ? -0.2 THR 170 W 188 c ? -0.4 ASN 210 W 228 c ? -0.1 +3777 VAL 278 W 296 c ? VAL 209 W 227 c ? -0.3 TYR 279 W 297 c ? -0.3 ASN 276 W 294 c ? -0.1 THR 76 W 94 c ? -0.1 +3778 TYR 279 W 297 c ? PHE 271 W 289 c ? -0.1 THR 76 W 94 c ? -0.0 VAL 278 W 296 c ? -0.3 HIS 73 W 91 c ? -0.1 +3779 PRO 280 W 298 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 284 W 302 c ? -2.7 PHE 283 W 301 c ? -1.3 +3780 SER 281 W 299 c ? ASN 276 W 294 c ? -0.6 GLU 282 W 300 c ? -0.3 GLY 285 W 303 c ? -1.7 TYR 64 W 82 c ? -0.1 +3781 GLU 282 W 300 c ? ASN 276 W 294 c ? -0.2 TYR 284 W 302 c ? -0.2 MET 63 W 81 c ? -0.4 TYR 64 W 82 c ? -0.3 +3782 PHE 283 W 301 c ? PRO 280 W 298 c ? -1.3 GLY 285 W 303 c ? -0.2 SER 281 W 299 c ? -0.2 GLU 282 W 300 c ? -0.2 +3783 TYR 284 W 302 c ? PRO 280 W 298 c ? -2.7 GLY 285 W 303 c ? -0.2 ARG 405 W 423 c ? -0.8 SER 281 W 299 c ? -0.2 +3784 GLY 285 W 303 c ? SER 281 W 299 c ? -1.7 PRO 280 W 298 c ? -0.3 TYR 284 W 302 c ? -0.2 PHE 283 W 301 c ? -0.2 +3785 PRO 286 W 304 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 405 W 423 c ? -0.2 SER 403 W 421 c ? -0.0 +3786 THR 287 W 305 c ? PHE 274 W 292 c ? -0.1 GLY 288 W 306 c ? -0.1 ALA 291 W 309 c ? -2.2 SER 292 W 310 c ? -0.2 +3787 GLY 288 W 306 c ? TRP 273 W 291 c ? -0.7 GLU 290 W 308 c ? -0.2 SER 292 W 310 c ? -2.3 GLN 293 W 311 c ? -0.2 +3788 PRO 289 W 307 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLN 293 W 311 c ? -2.5 ALA 294 W 312 c ? -0.2 +3789 GLU 290 W 308 c ? SER 292 W 310 c ? -0.2 ALA 291 W 309 c ? -0.2 ALA 294 W 312 c ? -2.6 GLY 288 W 306 c ? -0.2 +3790 ALA 291 W 309 c ? THR 287 W 305 c ? -2.2 GLN 293 W 311 c ? -0.2 GLN 295 W 313 c ? -1.4 GLU 290 W 308 c ? -0.2 +3791 SER 292 W 310 c ? GLY 288 W 306 c ? -2.3 ALA 294 W 312 c ? -0.2 ALA 296 W 314 c ? -1.3 GLN 295 W 313 c ? -0.5 +3792 GLN 293 W 311 c ? PRO 289 W 307 c ? -2.5 ALA 294 W 312 c ? -0.2 MET 297 W 315 c ? -1.9 ALA 291 W 309 c ? -0.2 +3793 ALA 294 W 312 c ? GLU 290 W 308 c ? -2.6 GLN 295 W 313 c ? -0.2 THR 298 W 316 c ? -2.5 GLN 293 W 311 c ? -0.2 +3794 GLN 295 W 313 c ? ALA 291 W 309 c ? -1.4 SER 292 W 310 c ? -0.5 PHE 299 W 317 c ? -1.9 LEU 300 W 318 c ? -0.2 +3795 ALA 296 W 314 c ? SER 292 W 310 c ? -1.3 MET 297 W 315 c ? -0.2 LEU 300 W 318 c ? -1.7 ALA 294 W 312 c ? -0.2 +3796 MET 297 W 315 c ? GLN 293 W 311 c ? -1.9 THR 298 W 316 c ? -0.2 ILE 301 W 319 c ? -2.5 GLN 295 W 313 c ? -0.2 +3797 THR 298 W 316 c ? ALA 294 W 312 c ? -2.5 PHE 299 W 317 c ? -0.2 ARG 302 W 320 c ? -1.6 MET 297 W 315 c ? -0.2 +3798 PHE 299 W 317 c ? GLN 295 W 313 c ? -1.9 ILE 301 W 319 c ? -0.2 ASP 303 W 321 c ? -2.3 THR 298 W 316 c ? -0.2 +3799 LEU 300 W 318 c ? ALA 296 W 314 c ? -1.7 GLN 295 W 313 c ? -0.2 GLN 304 W 322 c ? -2.5 THR 298 W 316 c ? -0.2 +3800 ILE 301 W 319 c ? MET 297 W 315 c ? -2.5 ARG 302 W 320 c ? -0.2 LYS 305 W 323 c ? -2.1 PHE 299 W 317 c ? -0.2 +3801 ARG 302 W 320 c ? THR 298 W 316 c ? -1.6 ASP 303 W 321 c ? -0.2 LEU 306 W 324 c ? -1.0 ILE 301 W 319 c ? -0.2 +3802 ASP 303 W 321 c ? PHE 299 W 317 c ? -2.3 GLN 304 W 322 c ? -0.2 ALA 308 W 326 c ? -2.2 GLY 307 W 325 c ? -0.4 +3803 GLN 304 W 322 c ? LEU 300 W 318 c ? -2.5 LYS 305 W 323 c ? -0.2 GLY 307 W 325 c ? -1.3 ASP 303 W 321 c ? -0.2 +3804 LYS 305 W 323 c ? ILE 301 W 319 c ? -2.1 LEU 306 W 324 c ? -0.3 GLN 304 W 322 c ? -0.2 ASP 303 W 321 c ? -0.2 +3805 LEU 306 W 324 c ? ARG 302 W 320 c ? -1.0 ASP 303 W 321 c ? -0.2 LYS 305 W 323 c ? -0.3 GLN 304 W 322 c ? -0.2 +3806 GLY 307 W 325 c ? GLN 304 W 322 c ? -1.3 ASP 303 W 321 c ? -0.4 GLN 304 W 322 c ? -0.2 ASN 309 W 327 c ? -0.2 +3807 ALA 308 W 326 c ? ASP 303 W 321 c ? -2.2 LEU 300 W 318 c ? -0.1 VAL 310 W 328 c ? -1.0 GLY 307 W 325 c ? -0.3 +3808 ASN 309 W 327 c ? GLY 307 W 325 c ? -0.2 VAL 310 W 328 c ? -0.2 SER 312 W 330 c ? -0.6 ALA 313 W 331 c ? -0.5 +3809 VAL 310 W 328 c ? ALA 308 W 326 c ? -1.0 GLY 311 W 329 c ? -0.2 LEU 323 W 341 c ? -0.5 TYR 322 W 340 c ? -0.5 +3810 GLY 311 W 329 c ? SER 312 W 330 c ? -0.2 TYR 322 W 340 c ? -0.1 VAL 310 W 328 c ? -0.2 ASP 99 AG 102 o ? -0.1 +3811 SER 312 W 330 c ? ASN 309 W 327 c ? -0.6 ILE 98 AG 101 o ? -0.2 GLN 314 W 332 c ? -0.8 GLY 311 W 329 c ? -0.2 +3812 ALA 313 W 331 c ? ASN 309 W 327 c ? -0.5 VAL 310 W 328 c ? -0.3 LYS 321 W 339 c ? -2.4 TYR 322 W 340 c ? -0.5 +3813 GLN 314 W 332 c ? SER 312 W 330 c ? -0.8 GLY 320 W 338 c ? -0.2 GLY 320 W 338 c ? -0.2 LEU 319 W 337 c ? -0.1 +3814 GLY 315 W 333 c ? LEU 319 W 337 c ? -2.6 ALA 313 W 331 c ? -0.4 GLY 318 W 336 c ? -1.3 THR 150 AG 153 o ? -0.3 +3815 PRO 316 W 334 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 150 AG 153 o ? -1.1 PHE 153 AG 156 o ? -0.2 +3816 THR 317 W 335 c ? ASN 325 U 335 a ? -0.2 LEU 319 W 337 c ? -0.2 GLY 320 W 338 c ? -0.1 ALA 326 U 336 a ? -0.0 +3817 GLY 318 W 336 c ? GLY 315 W 333 c ? -1.3 LEU 319 W 337 c ? -0.6 LYS 321 W 339 c ? -0.1 ARG 149 AG 152 o ? -0.1 +3818 LEU 319 W 337 c ? GLY 320 W 338 c ? -0.2 GLN 314 W 332 c ? -0.1 GLY 315 W 333 c ? -2.6 GLY 318 W 336 c ? -0.6 +3819 GLY 320 W 338 c ? GLN 314 W 332 c ? -0.2 LEU 323 W 341 c ? -0.1 GLY 335 W 353 c ? -0.4 GLN 314 W 332 c ? -0.2 +3820 LYS 321 W 339 c ? ALA 313 W 331 c ? -2.4 VAL 310 W 328 c ? -0.1 GLY 320 W 338 c ? -0.1 GLN 314 W 332 c ? -0.1 +3821 TYR 322 W 340 c ? VAL 310 W 328 c ? -0.5 ALA 313 W 331 c ? -0.5 GLY 334 W 352 c ? -2.7 MET 324 W 342 c ? -0.4 +3822 LEU 323 W 341 c ? VAL 310 W 328 c ? -0.5 ALA 313 W 331 c ? -0.3 TYR 322 W 340 c ? -0.3 PHE 333 W 351 c ? -0.2 +3823 MET 324 W 342 c ? ILE 332 W 350 c ? -2.9 TYR 322 W 340 c ? -0.4 ILE 332 W 350 c ? -3.2 SER 326 W 344 c ? -0.3 +3824 ARG 325 W 343 c ? ILE 331 W 349 c ? -0.2 LEU 323 W 341 c ? -0.2 ILE 331 W 349 c ? -0.2 GLU 330 W 348 c ? -0.1 +3825 SER 326 W 344 c ? GLU 330 W 348 c ? -2.0 MET 324 W 342 c ? -0.3 GLY 329 W 347 c ? -2.1 ILE 79 U 89 a ? -0.1 +3826 PRO 327 W 345 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 71 AG 74 o ? -1.4 ILE 79 U 89 a ? -0.1 +3827 THR 328 W 346 c ? ARG 70 AG 73 o ? -0.1 GLU 330 W 348 c ? -0.1 ASN 14 AG 17 o ? -0.5 ALA 13 AG 16 o ? -0.5 +3828 GLY 329 W 347 c ? SER 326 W 344 c ? -2.1 GLU 330 W 348 c ? -0.3 ILE 331 W 349 c ? -0.0 VAL 8 AG 11 o ? -0.0 +3829 GLU 330 W 348 c ? ARG 325 W 343 c ? -0.1 ILE 331 W 349 c ? -0.1 SER 326 W 344 c ? -2.0 ILE 332 W 350 c ? -0.5 +3830 ILE 331 W 349 c ? ASN 355 W 373 c ? -2.7 ARG 325 W 343 c ? -0.2 LEU 357 W 375 c ? -2.5 PHE 333 W 351 c ? -0.3 +3831 ILE 332 W 350 c ? MET 324 W 342 c ? -3.2 GLU 330 W 348 c ? -0.5 MET 324 W 342 c ? -2.9 GLY 334 W 352 c ? -0.1 +3832 PHE 333 W 351 c ? ILE 331 W 349 c ? -0.3 LEU 323 W 341 c ? -0.2 LEU 323 W 341 c ? -0.3 PHE 340 W 358 c ? -0.1 +3833 GLY 334 W 352 c ? TYR 322 W 340 c ? -2.7 ILE 332 W 350 c ? -0.1 THR 337 W 355 c ? -0.4 GLU 336 W 354 c ? -0.1 +3834 GLY 335 W 353 c ? GLY 320 W 338 c ? -0.4 GLU 336 W 354 c ? -0.2 MET 338 W 356 c ? -1.6 HIS 327 U 337 a ? -0.2 +3835 GLU 336 W 354 c ? ALA 326 U 336 a ? -0.4 THR 337 W 355 c ? -0.3 ARG 339 W 357 c ? -1.8 GLY 335 W 353 c ? -0.2 +3836 THR 337 W 355 c ? GLY 334 W 352 c ? -0.4 MET 338 W 356 c ? -0.3 PHE 340 W 358 c ? -2.7 GLU 336 W 354 c ? -0.3 +3837 MET 338 W 356 c ? GLY 335 W 353 c ? -1.6 ARG 339 W 357 c ? -0.3 TRP 341 W 359 c ? -1.0 THR 337 W 355 c ? -0.3 +3838 ARG 339 W 357 c ? GLU 336 W 354 c ? -1.8 PHE 340 W 358 c ? -0.2 LEU 81 U 91 a ? -0.4 ASP 342 W 360 c ? -0.3 +3839 PHE 340 W 358 c ? THR 337 W 355 c ? -2.7 TRP 341 W 359 c ? -0.2 PHE 343 W 361 c ? -1.7 ARG 339 W 357 c ? -0.2 +3840 TRP 341 W 359 c ? MET 338 W 356 c ? -1.0 ASP 342 W 360 c ? -0.3 PHE 340 W 358 c ? -0.2 ARG 339 W 357 c ? -0.1 +3841 ASP 342 W 360 c ? ARG 339 W 357 c ? -0.3 ARG 344 W 362 c ? -0.0 TRP 341 W 359 c ? -0.3 PHE 340 W 358 c ? -0.1 +3842 PHE 343 W 361 c ? PHE 340 W 358 c ? -1.7 PRO 289 W 307 c ? -0.1 GLY 345 W 363 c ? -0.4 PHE 340 W 358 c ? -0.0 +3843 ARG 344 W 362 c ? ASP 342 W 360 c ? -0.1 LEU 348 W 366 c ? -0.0 ASN 276 W 294 c ? -0.2 GLU 290 W 308 c ? -0.1 +3844 GLY 345 W 363 c ? PHE 343 W 361 c ? -0.4 PRO 346 W 364 c ? -0.1 GLU 349 W 367 c ? -2.0 LEU 348 W 366 c ? -1.8 +3845 PRO 346 W 364 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 345 W 363 c ? -0.1 GLY 175 W 193 c ? -0.0 +3846 TRP 347 W 365 c ? LEU 348 W 366 c ? -0.2 GLU 349 W 367 c ? -0.1 ALA 374 W 392 c ? -0.1 ARG 373 W 391 c ? -0.1 +3847 LEU 348 W 366 c ? GLY 345 W 363 c ? -1.8 PRO 350 W 368 c ? -0.1 LEU 351 W 369 c ? -1.9 ARG 352 W 370 c ? -0.3 +3848 GLU 349 W 367 c ? GLY 345 W 363 c ? -2.0 PRO 350 W 368 c ? -0.3 ARG 352 W 370 c ? -2.3 TRP 347 W 365 c ? -0.1 +3849 PRO 350 W 368 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 349 W 367 c ? -0.3 LEU 348 W 366 c ? -0.1 +3850 LEU 351 W 369 c ? LEU 348 W 366 c ? -1.9 GLY 353 W 371 c ? -0.0 ASP 358 W 376 c ? -2.8 GLY 353 W 371 c ? -0.3 +3851 ARG 352 W 370 c ? GLU 349 W 367 c ? -2.3 LEU 348 W 366 c ? -0.3 LEU 357 W 375 c ? -0.2 TYR 4 AG 7 o ? -0.1 +3852 GLY 353 W 371 c ? GLY 356 W 374 c ? -3.4 LEU 351 W 369 c ? -0.3 GLY 356 W 374 c ? -2.1 THR 3 AG 6 o ? -0.1 +3853 PRO 354 W 372 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 7 AG 10 o ? -0.1 LEU 357 W 375 c ? -0.1 +3854 ASN 355 W 373 c ? GLY 356 W 374 c ? -0.3 GLU 330 W 348 c ? -0.1 ILE 331 W 349 c ? -2.7 LEU 357 W 375 c ? -0.3 +3855 GLY 356 W 374 c ? GLY 353 W 371 c ? -2.1 GLU 330 W 348 c ? -0.3 GLY 353 W 371 c ? -3.4 ASN 355 W 373 c ? -0.3 +3856 LEU 357 W 375 c ? ILE 331 W 349 c ? -2.5 ASN 355 W 373 c ? -0.3 LEU 359 W 377 c ? -0.6 ARG 352 W 370 c ? -0.2 +3857 ASP 358 W 376 c ? LEU 351 W 369 c ? -2.8 LEU 359 W 377 c ? -0.1 ILE 362 W 380 c ? -2.2 LYS 363 W 381 c ? -0.1 +3858 LEU 359 W 377 c ? LEU 357 W 375 c ? -0.6 ASN 360 W 378 c ? -0.2 LYS 363 W 381 c ? -2.4 ASP 358 W 376 c ? -0.1 +3859 ASN 360 W 378 c ? ILE 362 W 380 c ? -0.2 LYS 361 W 379 c ? -0.2 ASN 364 W 382 c ? -1.6 ASP 365 W 383 c ? -0.3 +3860 LYS 361 W 379 c ? LYS 363 W 381 c ? -0.2 ILE 362 W 380 c ? -0.2 ASP 365 W 383 c ? -2.2 ILE 366 W 384 c ? -0.3 +3861 ILE 362 W 380 c ? ASP 358 W 376 c ? -2.2 LEU 351 W 369 c ? -0.2 ILE 366 W 384 c ? -0.5 ASN 360 W 378 c ? -0.2 +3862 LYS 363 W 381 c ? LEU 359 W 377 c ? -2.4 ASP 358 W 376 c ? -0.1 LYS 361 W 379 c ? -0.2 ILE 362 W 380 c ? -0.2 +3863 ASN 364 W 382 c ? ASN 360 W 378 c ? -1.6 LEU 359 W 377 c ? -0.1 LYS 361 W 379 c ? -0.2 ILE 362 W 380 c ? -0.2 +3864 ASP 365 W 383 c ? LYS 361 W 379 c ? -2.2 ASN 360 W 378 c ? -0.3 GLN 367 W 385 c ? -0.6 ILE 362 W 380 c ? -0.2 +3865 ILE 366 W 384 c ? ILE 362 W 380 c ? -0.5 LYS 361 W 379 c ? -0.3 ILE 362 W 380 c ? -0.0 LEU 351 W 369 c ? -0.0 +3866 GLN 367 W 385 c ? ASP 365 W 383 c ? -0.6 PRO 368 W 386 c ? -0.1 GLU 371 W 389 c ? -1.3 GLN 370 W 388 c ? -0.9 +3867 PRO 368 W 386 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 372 W 390 c ? -2.6 ARG 373 W 391 c ? -0.2 +3868 TRP 369 W 387 c ? GLN 370 W 388 c ? -0.2 GLU 371 W 389 c ? -0.2 ARG 373 W 391 c ? -2.2 ALA 374 W 392 c ? -0.1 +3869 GLN 370 W 388 c ? GLN 367 W 385 c ? -0.9 ARG 372 W 390 c ? -0.2 ALA 374 W 392 c ? -2.7 TRP 369 W 387 c ? -0.2 +3870 GLU 371 W 389 c ? GLN 367 W 385 c ? -1.3 ARG 373 W 391 c ? -0.2 ALA 375 W 393 c ? -1.9 TRP 369 W 387 c ? -0.2 +3871 ARG 372 W 390 c ? PRO 368 W 386 c ? -2.6 ARG 373 W 391 c ? -0.2 GLU 376 W 394 c ? -2.5 GLN 370 W 388 c ? -0.2 +3872 ARG 373 W 391 c ? TRP 369 W 387 c ? -2.2 ALA 374 W 392 c ? -0.2 TYR 377 W 395 c ? -2.6 MET 378 W 396 c ? -0.2 +3873 ALA 374 W 392 c ? GLN 370 W 388 c ? -2.7 ALA 375 W 393 c ? -0.2 MET 378 W 396 c ? -2.0 ARG 373 W 391 c ? -0.2 +3874 ALA 375 W 393 c ? GLU 371 W 389 c ? -1.9 TYR 377 W 395 c ? -0.2 THR 379 W 397 c ? -1.6 ARG 373 W 391 c ? -0.2 +3875 GLU 376 W 394 c ? ARG 372 W 390 c ? -2.5 MET 378 W 396 c ? -0.2 HIS 380 W 398 c ? -0.4 THR 379 W 397 c ? -0.2 +3876 TYR 377 W 395 c ? ARG 373 W 391 c ? -2.6 MET 378 W 396 c ? -0.2 HIS 380 W 398 c ? -0.5 ALA 375 W 393 c ? -0.2 +3877 MET 378 W 396 c ? ALA 374 W 392 c ? -2.0 ARG 373 W 391 c ? -0.2 ALA 381 W 399 c ? -0.7 TYR 377 W 395 c ? -0.2 +3878 THR 379 W 397 c ? ALA 375 W 393 c ? -1.6 GLU 376 W 394 c ? -0.2 TYR 377 W 395 c ? -0.2 MET 378 W 396 c ? -0.2 +3879 HIS 380 W 398 c ? TYR 377 W 395 c ? -0.5 GLU 376 W 394 c ? -0.4 THR 379 W 397 c ? -0.2 MET 378 W 396 c ? -0.1 +3880 ALA 381 W 399 c ? MET 378 W 396 c ? -0.7 PRO 382 W 400 c ? -0.1 LEU 383 W 401 c ? -2.6 SER 403 W 421 c ? -0.2 +3881 PRO 382 W 400 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 384 W 402 c ? -0.3 ALA 381 W 399 c ? -0.1 +3882 LEU 383 W 401 c ? ALA 381 W 399 c ? -2.6 VAL 392 W 410 c ? -0.1 GLY 391 W 409 c ? -1.9 SER 385 W 403 c ? -0.3 +3883 GLY 384 W 402 c ? ASN 286 U 296 a ? -1.6 PRO 382 W 400 c ? -0.3 ASN 288 U 298 a ? -2.8 GLY 390 W 408 c ? -0.2 +3884 SER 385 W 403 c ? VAL 389 W 407 c ? -2.1 LEU 383 W 401 c ? -0.3 SER 388 W 406 c ? -2.5 GLY 289 U 299 a ? -0.2 +3885 LEU 386 W 404 c ? ASN 288 U 298 a ? -2.1 ASN 387 W 405 c ? -0.3 PHE 290 U 300 a ? -0.1 GLY 289 U 299 a ? -0.1 +3886 ASN 387 W 405 c ? GLY 289 U 299 a ? -0.1 ASN 288 U 298 a ? -0.1 LEU 386 W 404 c ? -0.3 GLY 289 U 299 a ? -0.1 +3887 SER 388 W 406 c ? SER 385 W 403 c ? -2.5 VAL 389 W 407 c ? -0.2 PHE 401 W 419 c ? -0.9 GLY 390 W 408 c ? -0.7 +3888 VAL 389 W 407 c ? ASN 400 W 418 c ? -0.2 GLY 391 W 409 c ? -0.1 SER 385 W 403 c ? -2.1 SER 388 W 406 c ? -0.2 +3889 GLY 390 W 408 c ? VAL 399 W 417 c ? -3.1 SER 388 W 406 c ? -0.7 VAL 399 W 417 c ? -0.3 GLY 384 W 402 c ? -0.3 +3890 GLY 391 W 409 c ? LEU 383 W 401 c ? -1.9 ALA 381 W 399 c ? -0.2 VAL 389 W 407 c ? -0.1 ALA 393 W 411 c ? -0.0 +3891 VAL 392 W 410 c ? GLY 390 W 408 c ? -0.3 LEU 383 W 401 c ? -0.1 GLU 395 W 413 c ? -2.1 SER 385 W 403 c ? -0.1 +3892 ALA 393 W 411 c ? GLU 179 U 189 a ? -0.5 THR 394 W 412 c ? -0.3 GLU 179 U 189 a ? -0.1 VAL 392 W 410 c ? -0.1 +3893 THR 394 W 412 c ? ALA 178 U 188 a ? -0.2 ASN 315 U 325 a ? -0.1 ALA 393 W 411 c ? -0.3 ILE 396 W 414 c ? -0.1 +3894 GLU 395 W 413 c ? VAL 392 W 410 c ? -2.1 VAL 389 W 407 c ? -0.1 ASN 293 U 303 a ? -0.3 ASN 397 W 415 c ? -0.1 +3895 ILE 396 W 414 c ? ASN 397 W 415 c ? -0.1 THR 394 W 412 c ? -0.1 VAL 399 W 417 c ? -0.5 HIS 294 U 304 a ? -0.1 +3896 ASN 397 W 415 c ? ASN 293 U 303 a ? -1.5 SER 398 W 416 c ? -0.2 ILE 396 W 414 c ? -0.1 GLY 43 AJ 43 v ? -0.1 +3897 SER 398 W 416 c ? VAL 399 W 417 c ? -0.1 VAL 42 AJ 42 v ? -0.1 ASN 400 W 418 c ? -0.7 ASN 397 W 415 c ? -0.2 +3898 VAL 399 W 417 c ? ILE 396 W 414 c ? -0.5 GLY 390 W 408 c ? -0.3 GLY 390 W 408 c ? -3.1 PHE 401 W 419 c ? -1.1 +3899 ASN 400 W 418 c ? SER 398 W 416 c ? -0.7 VAL 389 W 407 c ? -0.2 VAL 402 W 420 c ? -0.3 VAL 389 W 407 c ? -0.2 +3900 PHE 401 W 419 c ? VAL 399 W 417 c ? -1.1 SER 388 W 406 c ? -0.9 SER 403 W 421 c ? -0.3 SER 385 W 403 c ? -0.2 +3901 VAL 402 W 420 c ? TYR 64 W 82 c ? -0.3 ASN 400 W 418 c ? -0.3 GLY 67 W 85 c ? -0.2 GLY 384 W 402 c ? -0.1 +3902 SER 403 W 421 c ? PHE 401 W 419 c ? -0.3 ALA 381 W 399 c ? -0.2 TRP 407 W 425 c ? -1.9 SER 406 W 424 c ? -0.5 +3903 PRO 404 W 422 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 408 W 426 c ? -2.7 ALA 409 W 427 c ? -0.2 +3904 ARG 405 W 423 c ? TYR 284 W 302 c ? -0.8 TRP 407 W 425 c ? -0.2 ALA 409 W 427 c ? -2.0 THR 410 W 428 c ? -0.2 +3905 SER 406 W 424 c ? SER 403 W 421 c ? -0.5 LEU 408 W 426 c ? -0.2 THR 410 W 428 c ? -2.8 SER 411 W 429 c ? -0.3 +3906 TRP 407 W 425 c ? SER 403 W 421 c ? -1.9 LEU 408 W 426 c ? -0.2 SER 411 W 429 c ? -1.7 ARG 405 W 423 c ? -0.2 +3907 LEU 408 W 426 c ? PRO 404 W 422 c ? -2.7 SER 403 W 421 c ? -0.2 HIS 412 W 430 c ? -1.3 TRP 407 W 425 c ? -0.2 +3908 ALA 409 W 427 c ? ARG 405 W 423 c ? -2.0 PRO 404 W 422 c ? -0.2 PHE 413 W 431 c ? -1.7 TRP 407 W 425 c ? -0.2 +3909 THR 410 W 428 c ? SER 406 W 424 c ? -2.8 SER 411 W 429 c ? -0.2 VAL 414 W 432 c ? -2.4 PHE 413 W 431 c ? -0.4 +3910 SER 411 W 429 c ? TRP 407 W 425 c ? -1.7 SER 406 W 424 c ? -0.3 LEU 415 W 433 c ? -2.3 THR 410 W 428 c ? -0.2 +3911 HIS 412 W 430 c ? LEU 408 W 426 c ? -1.3 PHE 413 W 431 c ? -0.2 ALA 416 W 434 c ? -2.1 SER 411 W 429 c ? -0.2 +3912 PHE 413 W 431 c ? ALA 409 W 427 c ? -1.7 THR 410 W 428 c ? -0.4 PHE 417 W 435 c ? -2.8 HIS 412 W 430 c ? -0.2 +3913 VAL 414 W 432 c ? THR 410 W 428 c ? -2.4 LEU 415 W 433 c ? -0.2 PHE 418 W 436 c ? -2.2 HIS 412 W 430 c ? -0.2 +3914 LEU 415 W 433 c ? SER 411 W 429 c ? -2.3 THR 410 W 428 c ? -0.2 PHE 419 W 437 c ? -2.3 VAL 414 W 432 c ? -0.2 +3915 ALA 416 W 434 c ? HIS 412 W 430 c ? -2.1 PHE 417 W 435 c ? -0.2 LEU 420 W 438 c ? -1.5 VAL 414 W 432 c ? -0.2 +3916 PHE 417 W 435 c ? PHE 413 W 431 c ? -2.8 PHE 419 W 437 c ? -0.2 VAL 421 W 439 c ? -1.9 LEU 420 W 438 c ? -0.3 +3917 PHE 418 W 436 c ? VAL 414 W 432 c ? -2.2 PHE 419 W 437 c ? -0.2 GLY 422 W 440 c ? -2.5 PHE 417 W 435 c ? -0.2 +3918 PHE 419 W 437 c ? LEU 415 W 433 c ? -2.3 VAL 421 W 439 c ? -0.2 HIS 423 W 441 c ? -2.0 PHE 418 W 436 c ? -0.2 +3919 LEU 420 W 438 c ? ALA 416 W 434 c ? -1.5 PHE 417 W 435 c ? -0.3 LEU 424 W 442 c ? -2.4 PHE 418 W 436 c ? -0.2 +3920 VAL 421 W 439 c ? PHE 417 W 435 c ? -1.9 GLY 422 W 440 c ? -0.2 TRP 425 W 443 c ? -2.4 PHE 419 W 437 c ? -0.2 +3921 GLY 422 W 440 c ? PHE 418 W 436 c ? -2.5 LEU 424 W 442 c ? -0.2 HIS 426 W 444 c ? -2.8 ALA 427 W 445 c ? -0.3 +3922 HIS 423 W 441 c ? PHE 419 W 437 c ? -2.0 LEU 258 W 276 c ? -0.2 ALA 427 W 445 c ? -3.0 GLY 428 W 446 c ? -0.3 +3923 LEU 424 W 442 c ? LEU 420 W 438 c ? -2.4 TRP 425 W 443 c ? -0.2 GLY 428 W 446 c ? -2.0 GLY 422 W 440 c ? -0.2 +3924 TRP 425 W 443 c ? VAL 421 W 439 c ? -2.4 ALA 427 W 445 c ? -0.2 ARG 429 W 447 c ? -1.8 HIS 423 W 441 c ? -0.2 +3925 HIS 426 W 444 c ? GLY 422 W 440 c ? -2.8 GLY 428 W 446 c ? -0.2 ALA 430 W 448 c ? -2.6 LEU 424 W 442 c ? -0.2 +3926 ALA 427 W 445 c ? HIS 423 W 441 c ? -3.0 GLY 422 W 440 c ? -0.3 ARG 431 W 449 c ? -2.0 HIS 426 W 444 c ? -0.2 +3927 GLY 428 W 446 c ? LEU 424 W 442 c ? -2.0 HIS 423 W 441 c ? -0.3 ALA 432 W 450 c ? -2.0 HIS 426 W 444 c ? -0.2 +3928 ARG 429 W 447 c ? TRP 425 W 443 c ? -1.8 ARG 431 W 449 c ? -0.2 ALA 433 W 451 c ? -2.7 ALA 434 W 452 c ? -0.2 +3929 ALA 430 W 448 c ? HIS 426 W 444 c ? -2.6 ALA 432 W 450 c ? -0.2 ALA 434 W 452 c ? -2.2 ALA 435 W 453 c ? -0.2 +3930 ARG 431 W 449 c ? ALA 427 W 445 c ? -2.0 ALA 432 W 450 c ? -0.2 ALA 435 W 453 c ? -1.6 ARG 429 W 447 c ? -0.2 +3931 ALA 432 W 450 c ? GLY 428 W 446 c ? -2.0 ALA 433 W 451 c ? -0.2 PHE 437 W 455 c ? -2.6 GLY 436 W 454 c ? -0.9 +3932 ALA 433 W 451 c ? ARG 429 W 447 c ? -2.7 GLY 436 W 454 c ? -0.2 ALA 432 W 450 c ? -0.2 ARG 431 W 449 c ? -0.2 +3933 ALA 434 W 452 c ? ALA 430 W 448 c ? -2.2 ALA 435 W 453 c ? -0.2 ALA 433 W 451 c ? -0.2 ALA 432 W 450 c ? -0.2 +3934 ALA 435 W 453 c ? ARG 431 W 449 c ? -1.6 ALA 430 W 448 c ? -0.2 ARG 34 AB 34 i ? -1.3 ALA 434 W 452 c ? -0.2 +3935 GLY 436 W 454 c ? ALA 432 W 450 c ? -0.9 ARG 431 W 449 c ? -0.2 ALA 433 W 451 c ? -0.2 ALA 432 W 450 c ? -0.1 +3936 PHE 437 W 455 c ? ALA 432 W 450 c ? -2.6 MET 129 U 139 a ? -0.1 GLY 440 W 458 c ? -1.0 ALA 433 W 451 c ? -0.2 +3937 GLU 438 W 456 c ? ALA 432 W 450 c ? -0.5 LYS 439 W 457 c ? -0.2 ALA 433 W 451 c ? -0.1 ILE 441 W 459 c ? -0.1 +3938 LYS 439 W 457 c ? GLY 440 W 458 c ? -0.3 ALA 432 W 450 c ? -0.2 ASP 214 X 225 d ? -0.3 GLU 438 W 456 c ? -0.2 +3939 GLY 440 W 458 c ? PHE 437 W 455 c ? -1.0 GLN 213 X 224 d ? -0.2 LYS 439 W 457 c ? -0.3 ASP 442 W 460 c ? -0.3 +3940 ILE 441 W 459 c ? LEU 211 X 222 d ? -2.7 LYS 439 W 457 c ? -0.2 GLN 213 X 224 d ? -2.7 ARG 443 W 461 c ? -0.4 +3941 ASP 442 W 460 c ? GLY 440 W 458 c ? -0.3 SER 445 W 463 c ? -0.3 SER 445 W 463 c ? -1.1 ASP 214 X 225 d ? -0.1 +3942 ARG 443 W 461 c ? ILE 441 W 459 c ? -0.4 GLN 213 X 224 d ? -0.3 GLU 446 W 464 c ? -0.8 ASP 442 W 460 c ? -0.2 +3943 GLU 444 W 462 c ? SER 445 W 463 c ? -0.2 ILE 441 W 459 c ? -0.0 ARG 443 W 461 c ? -0.3 ASP 442 W 460 c ? -0.1 +3944 SER 445 W 463 c ? ASP 442 W 460 c ? -1.1 LEU 449 W 467 c ? -0.0 ASP 442 W 460 c ? -0.3 GLU 444 W 462 c ? -0.2 +3945 GLU 446 W 464 c ? ARG 443 W 461 c ? -0.8 PRO 447 W 465 c ? -0.1 LEU 449 W 467 c ? -1.6 SER 450 W 468 c ? -0.7 +3946 PRO 447 W 465 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 450 W 468 c ? -1.4 MET 451 W 469 c ? -0.4 +3947 VAL 448 W 466 c ? LEU 127 U 137 a ? -0.4 LEU 449 W 467 c ? -0.3 MET 451 W 469 c ? -1.0 GLU 446 W 464 c ? -0.1 +3948 LEU 449 W 467 c ? GLU 446 W 464 c ? -1.6 SER 450 W 468 c ? -0.2 VAL 448 W 466 c ? -0.3 SER 453 W 471 c ? -0.0 +3949 SER 450 W 468 c ? PRO 447 W 465 c ? -1.4 GLU 446 W 464 c ? -0.7 LEU 449 W 467 c ? -0.2 VAL 448 W 466 c ? -0.2 +3950 MET 451 W 469 c ? VAL 448 W 466 c ? -1.0 PRO 447 W 465 c ? -0.4 LEU 454 W 472 c ? -0.1 ASP 15 U 25 a ? -0.0 +3951 PRO 452 W 470 c ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 454 W 472 c ? -0.1 MET 451 W 469 c ? -0.1 +3952 SER 453 W 471 c ? LEU 454 W 472 c ? -0.1 ASP 455 W 473 c ? -0.1 ARG 28 AH 28 t ? -0.0 LEU 449 W 467 c ? -0.0 +3953 LEU 454 W 472 c ? PRO 452 W 470 c ? -0.1 ASP 455 W 473 c ? -0.1 SER 453 W 471 c ? -0.1 ARG 17 U 27 a ? -0.1 +3954 ASP 455 W 473 c ? PRO 27 AH 27 t ? -0.2 PHE 23 AH 23 t ? -0.0 LEU 454 W 472 c ? -0.1 SER 453 W 471 c ? -0.1 +3955 ARG 1 X 12 d ? GLY 2 X 13 d ? -0.2 TRP 3 X 14 d ? -0.0 TRP 3 X 14 d ? -0.1 ? ? ? ? ? ? ? +3956 GLY 2 X 13 d ? TRP 3 X 14 d ? -0.1 ILE 6 X 17 d ? -0.0 ILE 6 X 17 d ? -2.2 ASP 5 X 16 d ? -0.6 +3957 TRP 3 X 14 d ? PHE 4 X 15 d ? -0.2 ASP 5 X 16 d ? -0.2 LEU 7 X 18 d ? -2.2 ASP 8 X 19 d ? -0.1 +3958 PHE 4 X 15 d ? ILE 6 X 17 d ? -0.2 ASP 5 X 16 d ? -0.2 ASP 8 X 19 d ? -2.2 TRP 3 X 14 d ? -0.2 +3959 ASP 5 X 16 d ? GLY 2 X 13 d ? -0.6 LEU 7 X 18 d ? -0.2 ASP 9 X 20 d ? -2.3 TRP 3 X 14 d ? -0.2 +3960 ILE 6 X 17 d ? GLY 2 X 13 d ? -2.2 ASP 8 X 19 d ? -0.2 TRP 10 X 21 d ? -2.1 ASP 5 X 16 d ? -0.2 +3961 LEU 7 X 18 d ? TRP 3 X 14 d ? -2.2 GLY 2 X 13 d ? -0.2 LEU 11 X 22 d ? -2.7 ASP 5 X 16 d ? -0.2 +3962 ASP 8 X 19 d ? PHE 4 X 15 d ? -2.2 ASP 9 X 20 d ? -0.2 LYS 12 X 23 d ? -1.5 ILE 6 X 17 d ? -0.2 +3963 ASP 9 X 20 d ? ASP 5 X 16 d ? -2.3 TRP 10 X 21 d ? -0.2 LYS 12 X 23 d ? -0.5 LEU 7 X 18 d ? -0.2 +3964 TRP 10 X 21 d ? ILE 6 X 17 d ? -2.1 LEU 11 X 22 d ? -0.2 ARG 13 X 24 d ? -1.5 ASP 8 X 19 d ? -0.2 +3965 LEU 11 X 22 d ? LEU 7 X 18 d ? -2.7 LYS 12 X 23 d ? -0.3 GLY 20 X 31 d ? -3.2 VAL 19 X 30 d ? -0.7 +3966 LYS 12 X 23 d ? ASP 8 X 19 d ? -1.5 ASP 9 X 20 d ? -0.5 VAL 498 V 499 b ? -2.3 LEU 11 X 22 d ? -0.3 +3967 ARG 13 X 24 d ? TRP 10 X 21 d ? -1.5 LYS 497 V 498 b ? -0.3 ARG 15 X 26 d ? -1.2 VAL 19 X 30 d ? -0.4 +3968 ASP 14 X 25 d ? GLN 496 V 497 b ? -3.3 TYR 495 V 496 b ? -0.2 PHE 16 X 27 d ? -0.2 ARG 13 X 24 d ? -0.1 +3969 ARG 15 X 26 d ? ARG 13 X 24 d ? -1.2 ARG 247 U 257 a ? -0.1 PHE 18 X 29 d ? -0.2 GLY 493 V 494 b ? -0.0 +3970 PHE 16 X 27 d ? VAL 17 X 28 d ? -0.3 ASP 14 X 25 d ? -0.2 PHE 18 X 29 d ? -0.6 GLN 251 U 261 a ? -0.4 +3971 VAL 17 X 28 d ? PHE 250 U 260 a ? -0.1 GLN 251 U 261 a ? -0.0 PHE 16 X 27 d ? -0.3 VAL 19 X 30 d ? -0.2 +3972 PHE 18 X 29 d ? PHE 16 X 27 d ? -0.6 ARG 247 U 257 a ? -0.5 LYS 12 X 23 d ? -0.1 ASP 14 X 25 d ? -0.1 +3973 VAL 19 X 30 d ? LEU 11 X 22 d ? -0.7 ARG 13 X 24 d ? -0.4 GLY 23 X 34 d ? -0.8 LYS 12 X 23 d ? -0.2 +3974 GLY 20 X 31 d ? LEU 11 X 22 d ? -3.2 SER 22 X 33 d ? -0.2 GLY 23 X 34 d ? -0.5 ILE 24 X 35 d ? -0.5 +3975 TRP 21 X 32 d ? SER 22 X 33 d ? -0.2 GLY 23 X 34 d ? -0.2 ILE 24 X 35 d ? -1.3 LEU 25 X 36 d ? -0.6 +3976 SER 22 X 33 d ? GLY 23 X 34 d ? -0.2 ILE 24 X 35 d ? -0.2 LEU 26 X 37 d ? -2.7 LEU 25 X 36 d ? -0.8 +3977 GLY 23 X 34 d ? VAL 19 X 30 d ? -0.8 GLY 20 X 31 d ? -0.5 PHE 27 X 38 d ? -1.9 SER 22 X 33 d ? -0.2 +3978 ILE 24 X 35 d ? TRP 21 X 32 d ? -1.3 GLY 20 X 31 d ? -0.5 GLY 23 X 34 d ? -0.2 CYS 29 X 40 d ? -0.2 +3979 LEU 25 X 36 d ? SER 22 X 33 d ? -0.8 TRP 21 X 32 d ? -0.6 CYS 29 X 40 d ? -1.3 GLY 23 X 34 d ? -0.2 +3980 LEU 26 X 37 d ? SER 22 X 33 d ? -2.7 GLY 113 X 124 d ? -0.2 ALA 30 X 41 d ? -2.9 TYR 31 X 42 d ? -0.3 +3981 PHE 27 X 38 d ? GLY 23 X 34 d ? -1.9 CYS 29 X 40 d ? -0.2 TYR 31 X 42 d ? -2.1 LEU 32 X 43 d ? -0.2 +3982 PRO 28 X 39 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 32 X 43 d ? -2.7 ALA 33 X 44 d ? -0.2 +3983 CYS 29 X 40 d ? LEU 25 X 36 d ? -1.3 ALA 30 X 41 d ? -0.2 ALA 33 X 44 d ? -2.1 GLY 110 X 121 d ? -0.2 +3984 ALA 30 X 41 d ? LEU 26 X 37 d ? -2.9 LEU 25 X 36 d ? -0.2 LEU 34 X 45 d ? -2.0 CYS 29 X 40 d ? -0.2 +3985 TYR 31 X 42 d ? PHE 27 X 38 d ? -2.1 LEU 26 X 37 d ? -0.3 GLY 35 X 46 d ? -3.2 CYS 29 X 40 d ? -0.2 +3986 LEU 32 X 43 d ? PRO 28 X 39 d ? -2.7 LEU 34 X 45 d ? -0.2 GLY 36 X 47 d ? -3.0 TRP 37 X 48 d ? -0.2 +3987 ALA 33 X 44 d ? CYS 29 X 40 d ? -2.1 PRO 28 X 39 d ? -0.2 TRP 37 X 48 d ? -1.6 LEU 32 X 43 d ? -0.2 +3988 LEU 34 X 45 d ? ALA 30 X 41 d ? -2.0 GLY 36 X 47 d ? -0.2 LEU 38 X 49 d ? -2.4 LEU 32 X 43 d ? -0.2 +3989 GLY 35 X 46 d ? TYR 31 X 42 d ? -3.2 GLY 36 X 47 d ? -0.2 THR 39 X 50 d ? -2.9 ALA 33 X 44 d ? -0.2 +3990 GLY 36 X 47 d ? LEU 32 X 43 d ? -3.0 LEU 38 X 49 d ? -0.2 GLY 40 X 51 d ? -2.8 GLY 35 X 46 d ? -0.2 +3991 TRP 37 X 48 d ? ALA 33 X 44 d ? -1.6 THR 39 X 50 d ? -0.2 THR 41 X 52 d ? -2.9 THR 42 X 53 d ? -0.2 +3992 LEU 38 X 49 d ? LEU 34 X 45 d ? -2.4 GLY 40 X 51 d ? -0.2 THR 42 X 53 d ? -1.3 GLY 36 X 47 d ? -0.2 +3993 THR 39 X 50 d ? GLY 35 X 46 d ? -2.9 LEU 34 X 45 d ? -0.2 PHE 43 X 54 d ? -2.3 VAL 44 X 55 d ? -0.5 +3994 GLY 40 X 51 d ? GLY 36 X 47 d ? -2.8 THR 41 X 52 d ? -0.2 VAL 44 X 55 d ? -1.8 LEU 38 X 49 d ? -0.2 +3995 THR 41 X 52 d ? TRP 37 X 48 d ? -2.9 GLY 36 X 47 d ? -0.2 TYR 56 X 67 d ? -1.9 GLY 40 X 51 d ? -0.2 +3996 THR 42 X 53 d ? LEU 38 X 49 d ? -1.3 SER 55 X 66 d ? -0.3 LEU 57 X 68 d ? -2.0 GLY 40 X 51 d ? -0.2 +3997 PHE 43 X 54 d ? THR 39 X 50 d ? -2.3 LEU 38 X 49 d ? -0.2 THR 45 X 56 d ? -0.4 GLY 40 X 51 d ? -0.2 +3998 VAL 44 X 55 d ? GLY 40 X 51 d ? -1.8 THR 39 X 50 d ? -0.5 ALA 66 X 77 d ? -0.2 SER 54 X 65 d ? -0.1 +3999 THR 45 X 56 d ? PHE 43 X 54 d ? -0.4 PHE 42 Y 47 e ? -0.2 ALA 53 X 64 d ? -0.2 SER 68 X 79 d ? -0.1 +4000 SER 46 X 57 d ? LEU 52 X 63 d ? -1.7 VAL 44 X 55 d ? -0.1 HIS 50 X 61 d ? -2.8 GLY 51 X 62 d ? -1.3 +4001 TRP 47 X 58 d ? GLY 51 X 62 d ? -0.3 HIS 50 X 61 d ? -0.2 GLY 51 X 62 d ? -0.7 ALA 53 X 64 d ? -0.1 +4002 TYR 48 X 59 d ? THR 49 X 60 d ? -0.2 GLN 95 X 106 d ? -0.2 VAL 61 Y 66 e ? -2.4 TRP 47 X 58 d ? -0.2 +4003 THR 49 X 60 d ? SER 46 X 57 d ? -0.4 LEU 60 Y 65 e ? -0.2 ASN 72 X 83 d ? -0.3 TRP 47 X 58 d ? -0.2 +4004 HIS 50 X 61 d ? SER 46 X 57 d ? -2.8 LEU 52 X 63 d ? -0.2 TRP 47 X 58 d ? -0.2 TYR 48 X 59 d ? -0.1 +4005 GLY 51 X 62 d ? SER 46 X 57 d ? -1.3 TRP 47 X 58 d ? -0.7 ALA 53 X 64 d ? -0.4 ASN 305 U 315 a ? -0.4 +4006 LEU 52 X 63 d ? SER 46 X 57 d ? -1.0 ILE 304 U 314 a ? -0.1 SER 46 X 57 d ? -1.7 SER 54 X 65 d ? -0.3 +4007 ALA 53 X 64 d ? ASN 305 U 315 a ? -2.2 GLY 51 X 62 d ? -0.4 TRP 307 U 317 a ? -0.3 THR 45 X 56 d ? -0.1 +4008 SER 54 X 65 d ? LEU 52 X 63 d ? -0.3 VAL 44 X 55 d ? -0.1 ALA 66 X 77 d ? -2.3 TYR 56 X 67 d ? -0.3 +4009 SER 55 X 66 d ? VAL 65 X 76 d ? -0.2 PHE 43 X 54 d ? -0.1 CYS 60 X 71 d ? -2.0 GLY 59 X 70 d ? -0.6 +4010 TYR 56 X 67 d ? THR 41 X 52 d ? -1.9 SER 54 X 65 d ? -0.3 GLY 59 X 70 d ? -1.4 PHE 43 X 54 d ? -0.2 +4011 LEU 57 X 68 d ? THR 42 X 53 d ? -2.0 GLU 58 X 69 d ? -0.3 TYR 56 X 67 d ? -0.2 PHE 43 X 54 d ? -0.1 +4012 GLU 58 X 69 d ? SER 55 X 66 d ? -0.5 THR 42 X 53 d ? -0.1 GLY 36 AC 36 j ? -0.3 LEU 57 X 68 d ? -0.3 +4013 GLY 59 X 70 d ? TYR 56 X 67 d ? -1.4 SER 55 X 66 d ? -0.6 TYR 56 X 67 d ? -0.2 LEU 57 X 68 d ? -0.1 +4014 CYS 60 X 71 d ? SER 55 X 66 d ? -2.0 THR 41 X 52 d ? -0.1 GLY 59 X 70 d ? -0.3 PHE 62 X 73 d ? -0.2 +4015 ASN 61 X 72 d ? GLY 59 X 70 d ? -0.1 GLY 36 AC 36 j ? -0.0 VAL 65 X 76 d ? -1.9 THR 64 X 75 d ? -1.1 +4016 PHE 62 X 73 d ? LEU 63 X 74 d ? -0.3 THR 64 X 75 d ? -0.2 VAL 164 X 175 d ? -0.5 CYS 60 X 71 d ? -0.0 +4017 LEU 63 X 74 d ? THR 64 X 75 d ? -0.2 VAL 164 X 175 d ? -0.1 ALA 165 X 176 d ? -2.6 PHE 62 X 73 d ? -0.3 +4018 THR 64 X 75 d ? ASN 61 X 72 d ? -1.1 VAL 164 X 175 d ? -0.2 TRP 307 U 317 a ? -0.5 PHE 62 X 73 d ? -0.2 +4019 VAL 65 X 76 d ? ASN 61 X 72 d ? -1.9 THR 306 U 316 a ? -0.1 VAL 164 X 175 d ? -0.5 ALA 166 X 177 d ? -0.3 +4020 ALA 66 X 77 d ? SER 54 X 65 d ? -2.3 VAL 44 X 55 d ? -0.2 SER 68 X 79 d ? -0.6 GLY 163 X 174 d ? -0.2 +4021 VAL 67 X 78 d ? PHE 162 X 173 d ? -1.3 VAL 65 X 76 d ? -0.3 PHE 162 X 173 d ? -2.3 THR 69 X 80 d ? -0.1 +4022 SER 68 X 79 d ? ALA 66 X 77 d ? -0.6 SER 161 X 172 d ? -0.2 TRP 100 X 111 d ? -0.3 LEU 99 X 110 d ? -0.1 +4023 THR 69 X 80 d ? PHE 157 X 168 d ? -0.3 ALA 159 X 170 d ? -0.2 PHE 157 X 168 d ? -0.1 SER 68 X 79 d ? -0.1 +4024 PRO 70 X 81 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 97 X 108 d ? -0.2 THR 69 X 80 d ? -0.1 +4025 ALA 71 X 82 d ? LEU 96 X 107 d ? -0.8 ASN 72 X 83 d ? -0.1 MET 74 X 85 d ? -1.7 TRP 156 X 167 d ? -0.2 +4026 ASN 72 X 83 d ? THR 49 X 60 d ? -0.3 SER 73 X 84 d ? -0.3 GLY 75 X 86 d ? -1.8 ALA 71 X 82 d ? -0.1 +4027 SER 73 X 84 d ? VAL 61 Y 66 e ? -0.4 MET 74 X 85 d ? -0.3 ARG 64 Y 69 e ? -0.3 ASN 72 X 83 d ? -0.3 +4028 MET 74 X 85 d ? ALA 71 X 82 d ? -1.7 GLY 75 X 86 d ? -0.2 SER 77 X 88 d ? -2.1 SER 73 X 84 d ? -0.3 +4029 GLY 75 X 86 d ? ASN 72 X 83 d ? -1.8 HIS 76 X 87 d ? -0.2 TRP 156 X 167 d ? -2.2 MET 74 X 85 d ? -0.2 +4030 HIS 76 X 87 d ? SER 155 X 166 d ? -0.2 SER 154 X 165 d ? -0.1 GLY 75 X 86 d ? -0.2 SER 155 X 166 d ? -0.1 +4031 SER 77 X 88 d ? MET 74 X 85 d ? -2.1 LEU 78 X 89 d ? -0.2 TRP 156 X 167 d ? -0.1 SER 50 AA 51 h ? -0.1 +4032 LEU 78 X 89 d ? ASN 49 AA 50 h ? -0.1 GLU 46 AA 47 h ? -0.1 SER 77 X 88 d ? -0.2 LEU 105 X 116 d ? -0.1 +4033 LEU 79 X 90 d ? MET 74 X 85 d ? -0.1 LEU 80 X 91 d ? -0.1 PHE 102 X 113 d ? -0.2 THR 101 X 112 d ? -0.1 +4034 LEU 80 X 91 d ? LEU 81 X 92 d ? -0.1 TRP 82 X 93 d ? -0.1 GLY 83 X 94 d ? -1.3 ALA 86 X 97 d ? -0.5 +4035 LEU 81 X 92 d ? TRP 82 X 93 d ? -0.3 ALA 86 X 97 d ? -0.1 GLY 88 X 99 d ? -2.5 ASP 89 X 100 d ? -0.2 +4036 TRP 82 X 93 d ? GLN 87 X 98 d ? -0.2 GLY 88 X 99 d ? -0.2 LEU 81 X 92 d ? -0.3 GLY 12 AK 13 x ? -0.1 +4037 GLY 83 X 94 d ? LEU 80 X 91 d ? -1.3 PRO 84 X 95 d ? -0.1 GLN 87 X 98 d ? -2.2 GLY 88 X 99 d ? -0.2 +4038 PRO 84 X 95 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 83 X 94 d ? -0.1 THR 51 AA 52 h ? -0.1 +4039 GLU 85 X 96 d ? LEU 80 X 91 d ? -0.2 ALA 86 X 97 d ? -0.1 LYS 68 Y 73 e ? -0.5 LEU 81 X 92 d ? -0.1 +4040 ALA 86 X 97 d ? LEU 80 X 91 d ? -0.5 ALA 67 Y 72 e ? -0.1 ASP 89 X 100 d ? -1.6 ARG 92 X 103 d ? -0.2 +4041 GLN 87 X 98 d ? GLY 83 X 94 d ? -2.2 GLY 88 X 99 d ? -0.3 TRP 82 X 93 d ? -0.2 LEU 81 X 92 d ? -0.1 +4042 GLY 88 X 99 d ? LEU 81 X 92 d ? -2.5 GLY 83 X 94 d ? -0.2 PHE 90 X 101 d ? -0.8 GLN 87 X 98 d ? -0.3 +4043 ASP 89 X 100 d ? ALA 86 X 97 d ? -1.6 LEU 81 X 92 d ? -0.2 TRP 93 X 104 d ? -2.3 GLY 88 X 99 d ? -0.2 +4044 PHE 90 X 101 d ? GLY 88 X 99 d ? -0.8 THR 91 X 102 d ? -0.2 CYS 94 X 105 d ? -1.7 ASP 89 X 100 d ? -0.2 +4045 THR 91 X 102 d ? TRP 93 X 104 d ? -0.2 ARG 92 X 103 d ? -0.2 GLN 95 X 106 d ? -2.0 PHE 90 X 101 d ? -0.2 +4046 ARG 92 X 103 d ? TRP 93 X 104 d ? -0.2 CYS 94 X 105 d ? -0.2 LEU 96 X 107 d ? -1.4 PHE 90 X 101 d ? -0.2 +4047 TRP 93 X 104 d ? ASP 89 X 100 d ? -2.3 CYS 94 X 105 d ? -0.2 GLY 98 X 109 d ? -3.0 GLY 97 X 108 d ? -0.5 +4048 CYS 94 X 105 d ? PHE 90 X 101 d ? -1.7 GLN 95 X 106 d ? -0.2 GLY 97 X 108 d ? -1.1 LEU 99 X 110 d ? -0.3 +4049 GLN 95 X 106 d ? THR 91 X 102 d ? -2.0 LEU 96 X 107 d ? -0.2 TRP 93 X 104 d ? -0.2 CYS 94 X 105 d ? -0.2 +4050 LEU 96 X 107 d ? ARG 92 X 103 d ? -1.4 THR 91 X 102 d ? -0.2 ALA 71 X 82 d ? -0.8 GLN 95 X 106 d ? -0.2 +4051 GLY 97 X 108 d ? CYS 94 X 105 d ? -1.1 TRP 93 X 104 d ? -0.5 TRP 100 X 111 d ? -1.4 THR 101 X 112 d ? -0.7 +4052 GLY 98 X 109 d ? TRP 93 X 104 d ? -3.0 LEU 99 X 110 d ? -0.3 PHE 102 X 113 d ? -2.4 CYS 94 X 105 d ? -0.2 +4053 LEU 99 X 110 d ? TRP 93 X 104 d ? -0.3 CYS 94 X 105 d ? -0.3 ILE 103 X 114 d ? -2.7 GLY 98 X 109 d ? -0.3 +4054 TRP 100 X 111 d ? GLY 97 X 108 d ? -1.4 SER 68 X 79 d ? -0.3 ALA 104 X 115 d ? -3.0 LEU 99 X 110 d ? -0.2 +4055 THR 101 X 112 d ? GLY 97 X 108 d ? -0.7 ILE 103 X 114 d ? -0.2 LEU 105 X 116 d ? -3.0 HIS 106 X 117 d ? -0.4 +4056 PHE 102 X 113 d ? GLY 98 X 109 d ? -2.4 ALA 104 X 115 d ? -0.2 HIS 106 X 117 d ? -2.4 GLY 107 X 118 d ? -0.3 +4057 ILE 103 X 114 d ? LEU 99 X 110 d ? -2.7 ALA 104 X 115 d ? -0.2 GLY 107 X 118 d ? -3.0 ALA 108 X 119 d ? -0.2 +4058 ALA 104 X 115 d ? TRP 100 X 111 d ? -3.0 LEU 99 X 110 d ? -0.2 ALA 108 X 119 d ? -1.9 ILE 103 X 114 d ? -0.2 +4059 LEU 105 X 116 d ? THR 101 X 112 d ? -3.0 GLY 107 X 118 d ? -0.2 PHE 109 X 120 d ? -2.2 ALA 104 X 115 d ? -0.2 +4060 HIS 106 X 117 d ? PHE 102 X 113 d ? -2.4 THR 101 X 112 d ? -0.4 GLY 110 X 121 d ? -2.7 ALA 104 X 115 d ? -0.2 +4061 GLY 107 X 118 d ? ILE 103 X 114 d ? -3.0 PHE 102 X 113 d ? -0.3 LEU 111 X 122 d ? -1.9 LEU 105 X 116 d ? -0.2 +4062 ALA 108 X 119 d ? ALA 104 X 115 d ? -1.9 ILE 103 X 114 d ? -0.2 ILE 112 X 123 d ? -1.7 LEU 111 X 122 d ? -0.2 +4063 PHE 109 X 120 d ? LEU 105 X 116 d ? -2.2 GLY 110 X 121 d ? -0.2 GLY 113 X 124 d ? -2.5 ALA 108 X 119 d ? -0.2 +4064 GLY 110 X 121 d ? HIS 106 X 117 d ? -2.7 ILE 112 X 123 d ? -0.2 PHE 114 X 125 d ? -2.3 PHE 109 X 120 d ? -0.2 +4065 LEU 111 X 122 d ? GLY 107 X 118 d ? -1.9 GLY 113 X 124 d ? -0.2 MET 115 X 126 d ? -2.3 PHE 109 X 120 d ? -0.2 +4066 ILE 112 X 123 d ? ALA 108 X 119 d ? -1.7 PHE 114 X 125 d ? -0.2 LEU 116 X 127 d ? -2.5 GLY 110 X 121 d ? -0.2 +4067 GLY 113 X 124 d ? PHE 109 X 120 d ? -2.5 MET 115 X 126 d ? -0.2 ARG 117 X 128 d ? -2.4 LEU 111 X 122 d ? -0.2 +4068 PHE 114 X 125 d ? GLY 110 X 121 d ? -2.3 MET 115 X 126 d ? -0.2 GLN 118 X 129 d ? -1.8 GLY 113 X 124 d ? -0.2 +4069 MET 115 X 126 d ? LEU 111 X 122 d ? -2.3 ARG 117 X 128 d ? -0.2 PHE 119 X 130 d ? -1.8 PHE 114 X 125 d ? -0.2 +4070 LEU 116 X 127 d ? ILE 112 X 123 d ? -2.5 ARG 117 X 128 d ? -0.2 GLU 120 X 131 d ? -2.6 PHE 114 X 125 d ? -0.2 +4071 ARG 117 X 128 d ? GLY 113 X 124 d ? -2.4 PHE 119 X 130 d ? -0.2 ILE 121 X 132 d ? -2.6 ALA 122 X 133 d ? -0.3 +4072 GLN 118 X 129 d ? PHE 114 X 125 d ? -1.8 GLU 120 X 131 d ? -0.2 ALA 122 X 133 d ? -1.9 LEU 116 X 127 d ? -0.2 +4073 PHE 119 X 130 d ? MET 115 X 126 d ? -1.8 ILE 121 X 132 d ? -0.2 ARG 123 X 134 d ? -2.1 ARG 117 X 128 d ? -0.2 +4074 GLU 120 X 131 d ? LEU 116 X 127 d ? -2.6 ALA 122 X 133 d ? -0.2 LEU 124 X 135 d ? -1.6 GLN 118 X 129 d ? -0.2 +4075 ILE 121 X 132 d ? ARG 117 X 128 d ? -2.6 ARG 123 X 134 d ? -0.2 VAL 125 X 136 d ? -2.5 GLY 126 X 137 d ? -0.3 +4076 ALA 122 X 133 d ? GLN 118 X 129 d ? -1.9 ARG 117 X 128 d ? -0.3 GLY 126 X 137 d ? -2.5 VAL 127 X 138 d ? -1.7 +4077 ARG 123 X 134 d ? PHE 119 X 130 d ? -2.1 LEU 124 X 135 d ? -0.2 ALA 122 X 133 d ? -0.2 ILE 121 X 132 d ? -0.2 +4078 LEU 124 X 135 d ? GLU 120 X 131 d ? -1.6 VAL 125 X 136 d ? -0.2 ARG 123 X 134 d ? -0.2 ALA 122 X 133 d ? -0.2 +4079 VAL 125 X 136 d ? ILE 121 X 132 d ? -2.5 GLU 120 X 131 d ? -0.2 ARG 123 X 134 d ? -0.2 LEU 124 X 135 d ? -0.2 +4080 GLY 126 X 137 d ? ALA 122 X 133 d ? -2.5 ILE 121 X 132 d ? -0.3 ASP 482 V 483 b ? -0.3 ARG 128 X 139 d ? -0.3 +4081 VAL 127 X 138 d ? ALA 122 X 133 d ? -1.7 ILE 121 X 132 d ? -0.1 GLY 126 X 137 d ? -0.3 SER 212 U 222 a ? -0.2 +4082 ARG 128 X 139 d ? SER 211 U 221 a ? -2.9 GLY 126 X 137 d ? -0.3 TYR 130 X 141 d ? -0.7 ASN 131 X 142 d ? -0.5 +4083 PRO 129 X 140 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 133 X 144 d ? -1.8 ALA 134 X 145 d ? -0.1 +4084 TYR 130 X 141 d ? ARG 128 X 139 d ? -0.7 SER 207 U 217 a ? -0.3 ALA 134 X 145 d ? -2.4 PHE 135 X 146 d ? -0.2 +4085 ASN 131 X 142 d ? ARG 128 X 139 d ? -0.5 SER 207 U 217 a ? -0.3 PHE 135 X 146 d ? -1.6 TYR 130 X 141 d ? -0.2 +4086 ALA 132 X 143 d ? ILE 133 X 144 d ? -0.2 ALA 134 X 145 d ? -0.2 SER 136 X 147 d ? -0.5 TYR 130 X 141 d ? -0.2 +4087 ILE 133 X 144 d ? PRO 129 X 140 d ? -1.8 ALA 134 X 145 d ? -0.2 SER 136 X 147 d ? -0.8 ALA 137 X 148 d ? -0.2 +4088 ALA 134 X 145 d ? TYR 130 X 141 d ? -2.4 PHE 135 X 146 d ? -0.2 ALA 137 X 148 d ? -1.5 ILE 133 X 144 d ? -0.2 +4089 PHE 135 X 146 d ? ASN 131 X 142 d ? -1.6 SER 136 X 147 d ? -0.3 ILE 139 X 150 d ? -1.7 ALA 134 X 145 d ? -0.2 +4090 SER 136 X 147 d ? ILE 133 X 144 d ? -0.8 ALA 132 X 143 d ? -0.5 ALA 140 X 151 d ? -2.6 PHE 135 X 146 d ? -0.3 +4091 ALA 137 X 148 d ? ALA 134 X 145 d ? -1.5 ILE 133 X 144 d ? -0.2 VAL 141 X 152 d ? -2.4 SER 136 X 147 d ? -0.2 +4092 PRO 138 X 149 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 142 X 153 d ? -3.0 VAL 143 X 154 d ? -0.2 +4093 ILE 139 X 150 d ? PHE 135 X 146 d ? -1.7 ALA 140 X 151 d ? -0.2 VAL 143 X 154 d ? -3.0 SER 144 X 155 d ? -0.3 +4094 ALA 140 X 151 d ? SER 136 X 147 d ? -2.6 VAL 141 X 152 d ? -0.2 SER 144 X 155 d ? -2.2 ILE 139 X 150 d ? -0.2 +4095 VAL 141 X 152 d ? ALA 137 X 148 d ? -2.4 VAL 143 X 154 d ? -0.2 VAL 145 X 156 d ? -2.4 PHE 146 X 157 d ? -0.4 +4096 PHE 142 X 153 d ? PRO 138 X 149 d ? -3.0 VAL 143 X 154 d ? -0.2 PHE 146 X 157 d ? -2.7 LEU 147 X 158 d ? -0.4 +4097 VAL 143 X 154 d ? ILE 139 X 150 d ? -3.0 SER 144 X 155 d ? -0.2 ILE 148 X 159 d ? -2.8 LEU 147 X 158 d ? -1.3 +4098 SER 144 X 155 d ? ALA 140 X 151 d ? -2.2 ILE 139 X 150 d ? -0.3 TYR 149 X 160 d ? -2.2 VAL 143 X 154 d ? -0.2 +4099 VAL 145 X 156 d ? VAL 141 X 152 d ? -2.4 ALA 140 X 151 d ? -0.2 VAL 143 X 154 d ? -0.2 PHE 142 X 153 d ? -0.2 +4100 PHE 146 X 157 d ? PHE 142 X 153 d ? -2.7 VAL 141 X 152 d ? -0.4 VAL 143 X 154 d ? -0.2 SER 144 X 155 d ? -0.2 +4101 LEU 147 X 158 d ? VAL 143 X 154 d ? -1.3 PHE 142 X 153 d ? -0.4 LEU 151 X 162 d ? -1.9 SER 144 X 155 d ? -0.2 +4102 ILE 148 X 159 d ? VAL 143 X 154 d ? -2.8 TYR 149 X 160 d ? -0.2 GLY 152 X 163 d ? -1.6 VAL 145 X 156 d ? -0.2 +4103 TYR 149 X 160 d ? SER 144 X 155 d ? -2.2 VAL 143 X 154 d ? -0.3 GLN 153 X 164 d ? -1.0 GLY 152 X 163 d ? -0.5 +4104 PRO 150 X 161 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 149 X 160 d ? -0.2 ILE 148 X 159 d ? -0.2 +4105 LEU 151 X 162 d ? LEU 147 X 158 d ? -1.9 GLY 152 X 163 d ? -0.2 TYR 149 X 160 d ? -0.2 ILE 148 X 159 d ? -0.1 +4106 GLY 152 X 163 d ? ILE 148 X 159 d ? -1.6 TYR 149 X 160 d ? -0.5 LEU 151 X 162 d ? -0.2 TYR 149 X 160 d ? -0.1 +4107 GLN 153 X 164 d ? TYR 149 X 160 d ? -1.0 ILE 148 X 159 d ? -0.2 TRP 156 X 167 d ? -0.1 TYR 272 V 273 b ? -0.1 +4108 SER 154 X 165 d ? SER 155 X 166 d ? -0.1 GLY 75 X 86 d ? -0.1 TRP 156 X 167 d ? -0.3 HIS 76 X 87 d ? -0.1 +4109 SER 155 X 166 d ? PRO 150 X 161 d ? -0.1 GLY 75 X 86 d ? -0.1 PHE 158 X 169 d ? -1.2 HIS 76 X 87 d ? -0.2 +4110 TRP 156 X 167 d ? GLY 75 X 86 d ? -2.2 SER 154 X 165 d ? -0.3 ALA 159 X 170 d ? -1.6 ASN 72 X 83 d ? -0.1 +4111 PHE 157 X 168 d ? PHE 158 X 169 d ? -0.3 GLY 75 X 86 d ? -0.2 THR 69 X 80 d ? -0.3 TRP 156 X 167 d ? -0.2 +4112 PHE 158 X 169 d ? SER 155 X 166 d ? -1.2 PRO 150 X 161 d ? -0.1 PHE 157 X 168 d ? -0.3 TRP 156 X 167 d ? -0.2 +4113 ALA 159 X 170 d ? TRP 156 X 167 d ? -1.6 SER 155 X 166 d ? -0.2 SER 161 X 172 d ? -0.2 THR 69 X 80 d ? -0.2 +4114 PRO 160 X 171 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 162 X 173 d ? -0.2 ALA 159 X 170 d ? -0.1 +4115 SER 161 X 172 d ? ALA 159 X 170 d ? -0.2 ALA 166 X 177 d ? -0.2 GLY 163 X 174 d ? -1.6 SER 68 X 79 d ? -0.2 +4116 PHE 162 X 173 d ? VAL 67 X 78 d ? -2.3 PRO 160 X 171 d ? -0.2 VAL 67 X 78 d ? -1.3 VAL 164 X 175 d ? -0.3 +4117 GLY 163 X 174 d ? SER 161 X 172 d ? -1.6 ALA 66 X 77 d ? -0.2 ILE 167 X 178 d ? -2.2 ALA 66 X 77 d ? -0.2 +4118 VAL 164 X 175 d ? VAL 65 X 76 d ? -0.5 PHE 62 X 73 d ? -0.5 PHE 168 X 179 d ? -1.7 THR 64 X 75 d ? -0.2 +4119 ALA 165 X 176 d ? LEU 63 X 74 d ? -2.6 VAL 65 X 76 d ? -0.3 ARG 169 X 180 d ? -2.2 VAL 164 X 175 d ? -0.2 +4120 ALA 166 X 177 d ? VAL 65 X 76 d ? -0.3 LEU 63 X 74 d ? -0.3 PHE 170 X 181 d ? -1.7 ALA 165 X 176 d ? -0.2 +4121 ILE 167 X 178 d ? GLY 163 X 174 d ? -2.2 ARG 169 X 180 d ? -0.2 LEU 171 X 182 d ? -2.3 ALA 165 X 176 d ? -0.2 +4122 PHE 168 X 179 d ? VAL 164 X 175 d ? -1.7 ARG 169 X 180 d ? -0.2 LEU 172 X 183 d ? -2.0 ALA 166 X 177 d ? -0.2 +4123 ARG 169 X 180 d ? ALA 165 X 176 d ? -2.2 PHE 170 X 181 d ? -0.2 PHE 173 X 184 d ? -2.6 PHE 168 X 179 d ? -0.2 +4124 PHE 170 X 181 d ? ALA 166 X 177 d ? -1.7 LEU 171 X 182 d ? -0.2 PHE 174 X 185 d ? -2.4 PHE 168 X 179 d ? -0.2 +4125 LEU 171 X 182 d ? ILE 167 X 178 d ? -2.3 LEU 172 X 183 d ? -0.2 GLN 175 X 186 d ? -1.3 PHE 170 X 181 d ? -0.2 +4126 LEU 172 X 183 d ? PHE 168 X 179 d ? -2.0 PHE 174 X 185 d ? -0.2 GLY 176 X 187 d ? -2.5 PHE 170 X 181 d ? -0.2 +4127 PHE 173 X 184 d ? ARG 169 X 180 d ? -2.6 PHE 174 X 185 d ? -0.2 PHE 177 X 188 d ? -2.9 HIS 178 X 189 d ? -0.6 +4128 PHE 174 X 185 d ? PHE 170 X 181 d ? -2.4 ARG 169 X 180 d ? -0.2 TRP 180 X 191 d ? -1.8 HIS 178 X 189 d ? -0.8 +4129 GLN 175 X 186 d ? LEU 171 X 182 d ? -1.3 ASN 179 X 190 d ? -0.2 ASN 179 X 190 d ? -1.9 PHE 173 X 184 d ? -0.2 +4130 GLY 176 X 187 d ? LEU 172 X 183 d ? -2.5 PHE 177 X 188 d ? -0.2 PHE 174 X 185 d ? -0.2 ARG 315 X 326 d ? -0.2 +4131 PHE 177 X 188 d ? PHE 173 X 184 d ? -2.9 LEU 172 X 183 d ? -0.2 PHE 174 X 185 d ? -0.2 GLY 176 X 187 d ? -0.2 +4132 HIS 178 X 189 d ? PHE 174 X 185 d ? -0.8 PHE 173 X 184 d ? -0.6 SER 284 X 295 d ? -0.4 GLN 175 X 186 d ? -0.2 +4133 ASN 179 X 190 d ? GLN 175 X 186 d ? -1.9 PHE 174 X 185 d ? -0.3 LEU 182 X 193 d ? -2.3 GLN 175 X 186 d ? -0.2 +4134 TRP 180 X 191 d ? PHE 174 X 185 d ? -1.8 THR 181 X 192 d ? -0.3 ASN 183 X 194 d ? -1.3 HIS 186 X 197 d ? -0.2 +4135 THR 181 X 192 d ? LEU 182 X 193 d ? -0.2 PHE 174 X 185 d ? -0.1 TRP 180 X 191 d ? -0.3 ASN 179 X 190 d ? -0.1 +4136 LEU 182 X 193 d ? ASN 179 X 190 d ? -2.3 SER 284 X 295 d ? -0.2 THR 181 X 192 d ? -0.2 TRP 180 X 191 d ? -0.2 +4137 ASN 183 X 194 d ? TRP 180 X 191 d ? -1.3 ASN 179 X 190 d ? -0.2 MET 187 X 198 d ? -2.2 HIS 186 X 197 d ? -0.4 +4138 PRO 184 X 195 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? MET 188 X 199 d ? -2.3 ASN 183 X 194 d ? -0.1 +4139 PHE 185 X 196 d ? MET 187 X 198 d ? -0.2 HIS 186 X 197 d ? -0.2 GLY 189 X 200 d ? -1.5 ILE 273 X 284 d ? -0.1 +4140 HIS 186 X 197 d ? ASN 183 X 194 d ? -0.4 TRP 180 X 191 d ? -0.2 VAL 190 X 201 d ? -2.7 PHE 185 X 196 d ? -0.2 +4141 MET 187 X 198 d ? ASN 183 X 194 d ? -2.2 MET 188 X 199 d ? -0.2 ALA 191 X 202 d ? -2.5 PHE 185 X 196 d ? -0.2 +4142 MET 188 X 199 d ? PRO 184 X 195 d ? -2.3 VAL 190 X 201 d ? -0.2 GLY 192 X 203 d ? -1.9 MET 187 X 198 d ? -0.2 +4143 GLY 189 X 200 d ? PHE 185 X 196 d ? -1.5 ALA 191 X 202 d ? -0.2 VAL 193 X 204 d ? -2.6 MET 187 X 198 d ? -0.2 +4144 VAL 190 X 201 d ? HIS 186 X 197 d ? -2.7 ALA 191 X 202 d ? -0.2 LEU 194 X 205 d ? -2.9 GLY 195 X 206 d ? -0.4 +4145 ALA 191 X 202 d ? MET 187 X 198 d ? -2.5 GLY 192 X 203 d ? -0.2 GLY 195 X 206 d ? -1.7 VAL 190 X 201 d ? -0.2 +4146 GLY 192 X 203 d ? MET 188 X 199 d ? -1.9 LEU 194 X 205 d ? -0.2 GLY 196 X 207 d ? -1.7 ALA 191 X 202 d ? -0.2 +4147 VAL 193 X 204 d ? GLY 189 X 200 d ? -2.6 GLY 195 X 206 d ? -0.2 ALA 197 X 208 d ? -2.3 ALA 191 X 202 d ? -0.2 +4148 LEU 194 X 205 d ? VAL 190 X 201 d ? -2.9 GLY 195 X 206 d ? -0.2 LEU 198 X 209 d ? -2.2 ALA 191 X 202 d ? -0.2 +4149 GLY 195 X 206 d ? ALA 191 X 202 d ? -1.7 VAL 190 X 201 d ? -0.4 LEU 199 X 210 d ? -2.0 LEU 194 X 205 d ? -0.2 +4150 GLY 196 X 207 d ? GLY 192 X 203 d ? -1.7 LEU 198 X 209 d ? -0.2 CYS 200 X 211 d ? -2.8 GLY 195 X 206 d ? -0.2 +4151 ALA 197 X 208 d ? VAL 193 X 204 d ? -2.3 LEU 199 X 210 d ? -0.2 ALA 201 X 212 d ? -2.2 GLY 195 X 206 d ? -0.2 +4152 LEU 198 X 209 d ? LEU 194 X 205 d ? -2.2 CYS 200 X 211 d ? -0.2 ILE 202 X 213 d ? -3.0 GLY 196 X 207 d ? -0.2 +4153 LEU 199 X 210 d ? GLY 195 X 206 d ? -2.0 ALA 201 X 212 d ? -0.2 HIS 203 X 214 d ? -2.6 GLY 204 X 215 d ? -0.3 +4154 CYS 200 X 211 d ? GLY 196 X 207 d ? -2.8 ILE 202 X 213 d ? -0.2 GLY 204 X 215 d ? -2.3 ALA 205 X 216 d ? -0.2 +4155 ALA 201 X 212 d ? ALA 197 X 208 d ? -2.2 ILE 202 X 213 d ? -0.2 ALA 205 X 216 d ? -2.5 LEU 199 X 210 d ? -0.2 +4156 ILE 202 X 213 d ? LEU 198 X 209 d ? -3.0 GLY 204 X 215 d ? -0.2 THR 206 X 217 d ? -1.9 ALA 201 X 212 d ? -0.2 +4157 HIS 203 X 214 d ? LEU 199 X 210 d ? -2.6 LEU 198 X 209 d ? -0.2 VAL 207 X 218 d ? -2.4 ILE 202 X 213 d ? -0.2 +4158 GLY 204 X 215 d ? CYS 200 X 211 d ? -2.3 LEU 199 X 210 d ? -0.3 GLU 208 X 219 d ? -2.3 ILE 202 X 213 d ? -0.2 +4159 ALA 205 X 216 d ? ALA 201 X 212 d ? -2.5 CYS 200 X 211 d ? -0.2 ASN 209 X 220 d ? -0.9 GLY 204 X 215 d ? -0.2 +4160 THR 206 X 217 d ? ILE 202 X 213 d ? -1.9 ALA 201 X 212 d ? -0.2 ASN 209 X 220 d ? -0.9 GLY 204 X 215 d ? -0.2 +4161 VAL 207 X 218 d ? HIS 203 X 214 d ? -2.4 GLU 208 X 219 d ? -0.2 THR 210 X 221 d ? -2.2 LEU 211 X 222 d ? -0.4 +4162 GLU 208 X 219 d ? GLY 204 X 215 d ? -2.3 ASN 209 X 220 d ? -0.3 VAL 207 X 218 d ? -0.2 THR 206 X 217 d ? -0.2 +4163 ASN 209 X 220 d ? ALA 205 X 216 d ? -0.9 THR 206 X 217 d ? -0.9 ARG 130 U 140 a ? -1.0 GLU 208 X 219 d ? -0.3 +4164 THR 210 X 221 d ? VAL 207 X 218 d ? -2.2 MET 129 U 139 a ? -0.2 SER 234 X 245 d ? -2.8 GLU 208 X 219 d ? -0.2 +4165 LEU 211 X 222 d ? VAL 207 X 218 d ? -0.4 TYR 233 X 244 d ? -0.3 ILE 441 W 459 c ? -2.7 TYR 233 X 244 d ? -0.3 +4166 PHE 212 X 223 d ? THR 232 X 243 d ? -2.2 GLY 440 W 458 c ? -0.3 ASP 214 X 225 d ? -1.2 ASP 442 W 460 c ? -0.2 +4167 GLN 213 X 224 d ? ILE 441 W 459 c ? -2.7 LEU 211 X 222 d ? -0.2 ARG 443 W 461 c ? -0.3 GLY 440 W 458 c ? -0.2 +4168 ASP 214 X 225 d ? PHE 212 X 223 d ? -1.2 LYS 439 W 457 c ? -0.3 GLU 216 X 227 d ? -0.3 GLN 213 X 224 d ? -0.1 +4169 GLY 215 X 226 d ? LYS 439 W 457 c ? -0.2 GLY 217 X 228 d ? -0.1 ALA 223 X 234 d ? -0.1 THR 220 X 231 d ? -0.0 +4170 GLU 216 X 227 d ? ASP 214 X 225 d ? -0.3 SER 219 X 230 d ? -0.1 THR 220 X 231 d ? -0.1 GLY 215 X 226 d ? -0.0 +4171 GLY 217 X 228 d ? SER 219 X 230 d ? -0.2 ALA 218 X 229 d ? -0.1 PHE 15 W 33 c ? -0.1 GLY 215 X 226 d ? -0.1 +4172 ALA 218 X 229 d ? GLY 14 W 32 c ? -1.5 SER 219 X 230 d ? -0.1 THR 220 X 231 d ? -0.9 PHE 15 W 33 c ? -0.2 +4173 SER 219 X 230 d ? GLY 14 W 32 c ? -1.1 THR 220 X 231 d ? -0.1 ARG 222 X 233 d ? -1.1 ALA 223 X 234 d ? -0.2 +4174 THR 220 X 231 d ? ALA 218 X 229 d ? -0.9 PHE 221 X 232 d ? -0.2 ALA 223 X 234 d ? -0.5 ASP 214 X 225 d ? -0.1 +4175 PHE 221 X 232 d ? ARG 222 X 233 d ? -0.2 ARG 259 U 269 a ? -0.1 THR 220 X 231 d ? -0.2 PHE 224 X 235 d ? -0.2 +4176 ARG 222 X 233 d ? SER 219 X 230 d ? -1.1 ALA 223 X 234 d ? -0.2 PHE 224 X 235 d ? -1.1 PHE 221 X 232 d ? -0.2 +4177 ALA 223 X 234 d ? THR 220 X 231 d ? -0.5 SER 219 X 230 d ? -0.2 ASN 225 X 236 d ? -0.3 ARG 222 X 233 d ? -0.2 +4178 PHE 224 X 235 d ? ARG 222 X 233 d ? -1.1 PHE 221 X 232 d ? -0.2 THR 227 X 238 d ? -0.0 PHE 221 X 232 d ? -0.0 +4179 ASN 225 X 236 d ? ALA 223 X 234 d ? -0.3 PRO 226 X 237 d ? -0.1 GLN 228 X 239 d ? -2.1 ASN 257 U 267 a ? -0.1 +4180 PRO 226 X 237 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 239 U 249 a ? -0.3 ILE 238 U 248 a ? -0.2 +4181 THR 227 X 238 d ? ILE 238 U 248 a ? -0.1 VAL 239 U 249 a ? -0.1 ALA 229 X 240 d ? -0.2 ASN 237 U 247 a ? -0.0 +4182 GLN 228 X 239 d ? ASN 225 X 236 d ? -2.1 ALA 229 X 240 d ? -0.1 GLU 234 U 244 a ? -0.1 THR 232 X 243 d ? -0.1 +4183 ALA 229 X 240 d ? THR 227 X 238 d ? -0.2 GLU 233 U 243 a ? -0.1 GLU 234 U 244 a ? -3.0 GLN 228 X 239 d ? -0.1 +4184 GLU 230 X 241 d ? GLU 233 U 243 a ? -0.2 GLU 231 X 242 d ? -0.1 GLU 233 U 243 a ? -0.2 GLN 228 X 239 d ? -0.1 +4185 GLU 231 X 242 d ? GLU 232 U 242 a ? -2.3 GLN 231 U 241 a ? -0.1 GLU 230 X 241 d ? -0.1 ALA 229 X 240 d ? -0.1 +4186 THR 232 X 243 d ? GLN 228 X 239 d ? -0.1 LEU 211 X 222 d ? -0.1 PHE 212 X 223 d ? -2.2 SER 234 X 245 d ? -0.3 +4187 TYR 233 X 244 d ? LEU 211 X 222 d ? -0.3 GLY 440 W 458 c ? -0.1 MET 235 X 246 d ? -0.7 LEU 211 X 222 d ? -0.3 +4188 SER 234 X 245 d ? THR 210 X 221 d ? -2.8 THR 232 X 243 d ? -0.3 ALA 238 X 249 d ? -1.8 ASN 239 X 250 d ? -0.1 +4189 MET 235 X 246 d ? TYR 233 X 244 d ? -0.7 VAL 236 X 247 d ? -0.2 ASN 239 X 250 d ? -2.4 SER 234 X 245 d ? -0.2 +4190 VAL 236 X 247 d ? ALA 238 X 249 d ? -0.2 THR 237 X 248 d ? -0.2 ARG 240 X 251 d ? -1.5 MET 235 X 246 d ? -0.2 +4191 THR 237 X 248 d ? ASN 239 X 250 d ? -0.2 ALA 238 X 249 d ? -0.2 PHE 241 X 252 d ? -2.3 VAL 236 X 247 d ? -0.2 +4192 ALA 238 X 249 d ? SER 234 X 245 d ? -1.8 ASN 239 X 250 d ? -0.2 TRP 242 X 253 d ? -2.0 VAL 236 X 247 d ? -0.2 +4193 ASN 239 X 250 d ? MET 235 X 246 d ? -2.4 PHE 241 X 252 d ? -0.2 SER 243 X 254 d ? -1.9 ALA 238 X 249 d ? -0.2 +4194 ARG 240 X 251 d ? VAL 236 X 247 d ? -1.5 TRP 242 X 253 d ? -0.2 GLN 244 X 255 d ? -2.2 ILE 245 X 256 d ? -0.2 +4195 PHE 241 X 252 d ? THR 237 X 248 d ? -2.3 TRP 242 X 253 d ? -0.2 ILE 245 X 256 d ? -2.0 ASN 239 X 250 d ? -0.2 +4196 TRP 242 X 253 d ? ALA 238 X 249 d ? -2.0 SER 243 X 254 d ? -0.2 PHE 246 X 257 d ? -2.8 GLY 247 X 258 d ? -0.9 +4197 SER 243 X 254 d ? ASN 239 X 250 d ? -1.9 PHE 246 X 257 d ? -0.2 GLY 247 X 258 d ? -0.5 TRP 242 X 253 d ? -0.2 +4198 GLN 244 X 255 d ? ARG 240 X 251 d ? -2.2 PHE 246 X 257 d ? -0.1 TYR 19 U 29 a ? -1.2 TRP 242 X 253 d ? -0.2 +4199 ILE 245 X 256 d ? PHE 241 X 252 d ? -2.0 ARG 240 X 251 d ? -0.2 SER 243 X 254 d ? -0.2 TRP 242 X 253 d ? -0.2 +4200 PHE 246 X 257 d ? TRP 242 X 253 d ? -2.8 ILE 248 X 259 d ? -0.2 SER 243 X 254 d ? -0.2 GLN 244 X 255 d ? -0.1 +4201 GLY 247 X 258 d ? TRP 242 X 253 d ? -0.9 SER 243 X 254 d ? -0.5 ALA 249 X 260 d ? -0.3 SER 243 X 254 d ? -0.2 +4202 ILE 248 X 259 d ? TRP 242 X 253 d ? -0.3 PHE 246 X 257 d ? -0.1 PHE 250 X 261 d ? -0.3 PHE 246 X 257 d ? -0.2 +4203 ALA 249 X 260 d ? GLY 247 X 258 d ? -0.3 PHE 246 X 257 d ? -0.1 SER 251 X 262 d ? -0.2 ASN 239 X 250 d ? -0.1 +4204 PHE 250 X 261 d ? ILE 248 X 259 d ? -0.3 SER 251 X 262 d ? -0.1 TRP 242 X 253 d ? -0.1 SER 243 X 254 d ? -0.1 +4205 SER 251 X 262 d ? ALA 249 X 260 d ? -0.2 ASN 252 X 263 d ? -0.1 LYS 253 X 264 d ? -0.6 GLY 230 U 240 a ? -0.2 +4206 ASN 252 X 263 d ? LYS 253 X 264 d ? -0.1 PHE 229 U 239 a ? -0.1 LEU 256 X 267 d ? -2.3 SER 251 X 262 d ? -0.1 +4207 LYS 253 X 264 d ? SER 251 X 262 d ? -0.6 TRP 255 X 266 d ? -0.2 HIS 257 X 268 d ? -1.8 ASN 252 X 263 d ? -0.1 +4208 ARG 254 X 265 d ? ASN 224 U 234 a ? -0.3 LEU 256 X 267 d ? -0.2 PHE 258 X 269 d ? -2.2 PHE 259 X 270 d ? -0.2 +4209 TRP 255 X 266 d ? HIS 257 X 268 d ? -0.2 LEU 256 X 267 d ? -0.2 PHE 259 X 270 d ? -2.9 LYS 253 X 264 d ? -0.2 +4210 LEU 256 X 267 d ? ASN 252 X 263 d ? -2.3 HIS 257 X 268 d ? -0.2 MET 260 X 271 d ? -1.8 ARG 254 X 265 d ? -0.2 +4211 HIS 257 X 268 d ? LYS 253 X 264 d ? -1.8 PHE 258 X 269 d ? -0.2 LEU 261 X 272 d ? -0.8 THR 210 U 220 a ? -0.3 +4212 PHE 258 X 269 d ? ARG 254 X 265 d ? -2.2 MET 260 X 271 d ? -0.2 PHE 262 X 273 d ? -2.8 LEU 261 X 272 d ? -0.7 +4213 PHE 259 X 270 d ? TRP 255 X 266 d ? -2.9 MET 260 X 271 d ? -0.2 VAL 263 X 274 d ? -2.3 HIS 257 X 268 d ? -0.2 +4214 MET 260 X 271 d ? LEU 256 X 267 d ? -1.8 PHE 262 X 273 d ? -0.2 PHE 259 X 270 d ? -0.2 GLY 206 U 216 a ? -0.2 +4215 LEU 261 X 272 d ? HIS 257 X 268 d ? -0.8 PHE 258 X 269 d ? -0.7 VAL 265 X 276 d ? -1.4 THR 266 X 277 d ? -0.2 +4216 PHE 262 X 273 d ? PHE 258 X 269 d ? -2.8 VAL 263 X 274 d ? -0.2 THR 266 X 277 d ? -2.9 GLY 267 X 278 d ? -0.2 +4217 VAL 263 X 274 d ? PHE 259 X 270 d ? -2.3 PRO 264 X 275 d ? -0.2 GLY 267 X 278 d ? -2.1 PHE 262 X 273 d ? -0.2 +4218 PRO 264 X 275 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 268 X 279 d ? -2.1 VAL 263 X 274 d ? -0.2 +4219 VAL 265 X 276 d ? LEU 261 X 272 d ? -1.4 GLY 267 X 278 d ? -0.2 TRP 269 X 280 d ? -2.0 VAL 263 X 274 d ? -0.2 +4220 THR 266 X 277 d ? PHE 262 X 273 d ? -2.9 LEU 261 X 272 d ? -0.2 MET 270 X 281 d ? -1.8 VAL 265 X 276 d ? -0.2 +4221 GLY 267 X 278 d ? VAL 263 X 274 d ? -2.1 PHE 262 X 273 d ? -0.2 SER 271 X 282 d ? -2.2 THR 266 X 277 d ? -0.2 +4222 LEU 268 X 279 d ? PRO 264 X 275 d ? -2.1 TRP 269 X 280 d ? -0.2 ALA 272 X 283 d ? -2.3 GLY 267 X 278 d ? -0.2 +4223 TRP 269 X 280 d ? VAL 265 X 276 d ? -2.0 MET 270 X 281 d ? -0.2 ILE 273 X 284 d ? -1.5 LEU 268 X 279 d ? -0.2 +4224 MET 270 X 281 d ? THR 266 X 277 d ? -1.8 SER 271 X 282 d ? -0.2 GLY 274 X 285 d ? -1.5 TRP 269 X 280 d ? -0.2 +4225 SER 271 X 282 d ? GLY 267 X 278 d ? -2.2 ALA 272 X 283 d ? -0.2 VAL 275 X 286 d ? -1.9 TRP 269 X 280 d ? -0.2 +4226 ALA 272 X 283 d ? LEU 268 X 279 d ? -2.3 ILE 273 X 284 d ? -0.2 VAL 276 X 287 d ? -1.6 SER 271 X 282 d ? -0.2 +4227 ILE 273 X 284 d ? TRP 269 X 280 d ? -1.5 GLY 274 X 285 d ? -0.2 GLY 277 X 288 d ? -1.5 ALA 272 X 283 d ? -0.2 +4228 GLY 274 X 285 d ? MET 270 X 281 d ? -1.5 VAL 275 X 286 d ? -0.2 LEU 278 X 289 d ? -1.5 ILE 273 X 284 d ? -0.2 +4229 VAL 275 X 286 d ? SER 271 X 282 d ? -1.9 GLY 277 X 288 d ? -0.2 ALA 279 X 290 d ? -1.4 GLY 274 X 285 d ? -0.2 +4230 VAL 276 X 287 d ? ALA 272 X 283 d ? -1.6 LEU 278 X 289 d ? -0.2 LEU 280 X 291 d ? -0.6 VAL 275 X 286 d ? -0.2 +4231 GLY 277 X 288 d ? ILE 273 X 284 d ? -1.5 LEU 278 X 289 d ? -0.2 LEU 282 X 293 d ? -2.8 LEU 280 X 291 d ? -1.1 +4232 LEU 278 X 289 d ? GLY 274 X 285 d ? -1.5 ALA 279 X 290 d ? -0.3 ASN 281 X 292 d ? -2.0 GLY 277 X 288 d ? -0.2 +4233 ALA 279 X 290 d ? VAL 275 X 286 d ? -1.4 LEU 280 X 291 d ? -0.3 LEU 278 X 289 d ? -0.3 GLY 277 X 288 d ? -0.2 +4234 LEU 280 X 291 d ? GLY 277 X 288 d ? -1.1 VAL 276 X 287 d ? -0.6 GLY 321 V 322 b ? -0.3 ALA 279 X 290 d ? -0.3 +4235 ASN 281 X 292 d ? LEU 278 X 289 d ? -2.0 LEU 282 X 293 d ? -0.2 ARG 283 X 294 d ? -2.0 LEU 278 X 289 d ? -0.2 +4236 LEU 282 X 293 d ? GLY 277 X 288 d ? -2.8 VAL 276 X 287 d ? -0.2 GLY 322 V 323 b ? -0.2 ASN 281 X 292 d ? -0.2 +4237 ARG 283 X 294 d ? ASN 281 X 292 d ? -2.0 GLY 321 V 322 b ? -0.6 LEU 323 V 324 b ? -1.8 TYR 285 X 296 d ? -0.9 +4238 SER 284 X 295 d ? HIS 178 X 189 d ? -0.4 GLY 322 V 323 b ? -0.2 LEU 182 X 193 d ? -0.2 GLY 322 V 323 b ? -0.1 +4239 TYR 285 X 296 d ? ARG 283 X 294 d ? -0.9 ASP 286 X 297 d ? -0.1 PHE 287 X 298 d ? -0.2 SER 284 X 295 d ? -0.2 +4240 ASP 286 X 297 d ? ARG 283 X 294 d ? -0.2 ALA 170 AG 173 o ? -0.0 ILE 288 X 299 d ? -0.4 PHE 324 V 325 b ? -0.2 +4241 PHE 287 X 298 d ? TYR 285 X 296 d ? -0.2 ILE 288 X 299 d ? -0.1 GLU 291 X 302 d ? -1.4 GLN 290 X 301 d ? -0.6 +4242 ILE 288 X 299 d ? ASP 286 X 297 d ? -0.4 SER 289 X 300 d ? -0.2 ILE 292 X 303 d ? -2.3 ARG 293 X 304 d ? -0.2 +4243 SER 289 X 300 d ? ASN 36 AE 37 l ? -2.7 GLN 290 X 301 d ? -0.2 ARG 293 X 304 d ? -2.1 GLU 2 AF 2 m ? -0.4 +4244 GLN 290 X 301 d ? PHE 287 X 298 d ? -0.6 GLU 291 X 302 d ? -0.2 ALA 294 X 305 d ? -2.6 SER 289 X 300 d ? -0.2 +4245 GLU 291 X 302 d ? PHE 287 X 298 d ? -1.4 ARG 293 X 304 d ? -0.2 ALA 295 X 306 d ? -2.7 GLN 290 X 301 d ? -0.2 +4246 ILE 292 X 303 d ? ILE 288 X 299 d ? -2.3 ALA 294 X 305 d ? -0.2 GLU 296 X 307 d ? -1.5 GLN 290 X 301 d ? -0.2 +4247 ARG 293 X 304 d ? SER 289 X 300 d ? -2.1 ILE 288 X 299 d ? -0.2 ASP 297 X 308 d ? -2.0 GLU 296 X 307 d ? -0.3 +4248 ALA 294 X 305 d ? GLN 290 X 301 d ? -2.6 ALA 295 X 306 d ? -0.2 ILE 292 X 303 d ? -0.2 PHE 300 X 311 d ? -0.2 +4249 ALA 295 X 306 d ? GLU 291 X 302 d ? -2.7 GLU 296 X 307 d ? -0.2 ALA 294 X 305 d ? -0.2 ARG 293 X 304 d ? -0.2 +4250 GLU 296 X 307 d ? ILE 292 X 303 d ? -1.5 ARG 293 X 304 d ? -0.3 ALA 294 X 305 d ? -0.2 ALA 295 X 306 d ? -0.2 +4251 ASP 297 X 308 d ? ARG 293 X 304 d ? -2.0 ILE 292 X 303 d ? -0.2 PHE 300 X 311 d ? -2.1 GLU 296 X 307 d ? -0.2 +4252 PRO 298 X 309 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 297 X 308 d ? -0.1 ALA 294 X 305 d ? -0.1 +4253 GLU 299 X 310 d ? ASP 155 AG 158 o ? -0.1 PRO 156 AG 159 o ? -0.1 GLU 301 X 312 d ? -0.5 ALA 294 X 305 d ? -0.1 +4254 PHE 300 X 311 d ? ASP 297 X 308 d ? -2.1 ALA 294 X 305 d ? -0.2 THR 302 X 313 d ? -0.3 VAL 57 U 67 a ? -0.1 +4255 GLU 301 X 312 d ? GLU 299 X 310 d ? -0.5 PRO 56 U 66 a ? -0.2 SER 58 U 68 a ? -3.0 PHE 303 X 314 d ? -0.3 +4256 THR 302 X 313 d ? PHE 300 X 311 d ? -0.3 VAL 57 U 67 a ? -0.2 LYS 306 X 317 d ? -1.7 GLY 59 U 69 a ? -0.1 +4257 PHE 303 X 314 d ? THR 69 U 79 a ? -0.4 SER 58 U 68 a ? -0.3 ASN 307 X 318 d ? -1.6 LEU 308 X 319 d ? -0.1 +4258 TYR 304 X 315 d ? LYS 306 X 317 d ? -0.2 THR 305 X 316 d ? -0.1 LEU 308 X 319 d ? -1.3 PHE 303 X 314 d ? -0.2 +4259 THR 305 X 316 d ? LYS 306 X 317 d ? -0.2 ASN 307 X 318 d ? -0.2 LEU 309 X 320 d ? -1.4 PHE 303 X 314 d ? -0.2 +4260 LYS 306 X 317 d ? THR 302 X 313 d ? -1.7 ASN 307 X 318 d ? -0.2 LEU 310 X 321 d ? -1.6 LEU 309 X 320 d ? -0.4 +4261 ASN 307 X 318 d ? PHE 303 X 314 d ? -1.6 LEU 308 X 319 d ? -0.2 ASN 311 X 322 d ? -1.8 LYS 306 X 317 d ? -0.2 +4262 LEU 308 X 319 d ? TYR 304 X 315 d ? -1.3 LEU 310 X 321 d ? -0.2 GLU 312 X 323 d ? -2.4 ASN 307 X 318 d ? -0.2 +4263 LEU 309 X 320 d ? THR 305 X 316 d ? -1.4 LYS 306 X 317 d ? -0.4 GLY 313 X 324 d ? -1.7 ASN 307 X 318 d ? -0.2 +4264 LEU 310 X 321 d ? LYS 306 X 317 d ? -1.6 GLU 312 X 323 d ? -0.2 ILE 314 X 325 d ? -2.4 LEU 309 X 320 d ? -0.2 +4265 ASN 311 X 322 d ? ASN 307 X 318 d ? -1.8 GLU 312 X 323 d ? -0.2 ARG 315 X 326 d ? -2.4 LEU 309 X 320 d ? -0.2 +4266 GLU 312 X 323 d ? LEU 308 X 319 d ? -2.4 ILE 314 X 325 d ? -0.2 ALA 316 X 327 d ? -2.0 ASN 311 X 322 d ? -0.2 +4267 GLY 313 X 324 d ? LEU 309 X 320 d ? -1.7 ARG 315 X 326 d ? -0.2 TRP 317 X 328 d ? -2.4 MET 318 X 329 d ? -0.4 +4268 ILE 314 X 325 d ? LEU 310 X 321 d ? -2.4 GLY 317 U 327 a ? -0.2 MET 318 X 329 d ? -2.4 ALA 319 X 330 d ? -0.3 +4269 ARG 315 X 326 d ? ASN 311 X 322 d ? -2.4 ALA 316 X 327 d ? -0.2 ALA 319 X 330 d ? -1.7 ILE 314 X 325 d ? -0.2 +4270 ALA 316 X 327 d ? GLU 312 X 323 d ? -2.0 TRP 317 X 328 d ? -0.2 ARG 315 X 326 d ? -0.2 ILE 314 X 325 d ? -0.2 +4271 TRP 317 X 328 d ? GLY 313 X 324 d ? -2.4 GLU 312 X 323 d ? -0.2 GLN 321 X 332 d ? -0.3 ARG 315 X 326 d ? -0.2 +4272 MET 318 X 329 d ? ILE 314 X 325 d ? -2.4 GLY 313 X 324 d ? -0.4 ASP 322 X 333 d ? -2.1 GLN 323 X 334 d ? -0.2 +4273 ALA 319 X 330 d ? ARG 315 X 326 d ? -1.7 ILE 314 X 325 d ? -0.3 GLN 323 X 334 d ? -2.2 GLU 326 X 337 d ? -0.2 +4274 PRO 320 X 331 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 319 X 330 d ? -0.2 PHE 328 X 339 d ? -0.2 +4275 GLN 321 X 332 d ? TRP 317 X 328 d ? -0.3 MET 318 X 329 d ? -0.2 ALA 319 X 330 d ? -0.2 MET 318 X 329 d ? -0.1 +4276 ASP 322 X 333 d ? MET 318 X 329 d ? -2.1 GLN 323 X 334 d ? -0.2 ALA 319 X 330 d ? -0.2 GLN 321 X 332 d ? -0.2 +4277 GLN 323 X 334 d ? ALA 319 X 330 d ? -2.2 MET 318 X 329 d ? -0.2 GLU 326 X 337 d ? -1.8 PHE 328 X 339 d ? -0.4 +4278 PRO 324 X 335 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASN 327 X 338 d ? -1.6 GLN 323 X 334 d ? -0.1 +4279 HIS 325 X 336 d ? GLU 326 X 337 d ? -0.3 THR 49 X 60 d ? -0.2 HIS 50 X 61 d ? -0.0 ALA 71 X 82 d ? -0.0 +4280 GLU 326 X 337 d ? GLN 323 X 334 d ? -1.8 ALA 319 X 330 d ? -0.2 HIS 325 X 336 d ? -0.3 ALA 319 X 330 d ? -0.0 +4281 ASN 327 X 338 d ? PRO 324 X 335 d ? -1.6 GLN 323 X 334 d ? -0.3 VAL 329 X 340 d ? -0.2 HIS 325 X 336 d ? -0.1 +4282 PHE 328 X 339 d ? GLN 323 X 334 d ? -0.4 PRO 320 X 331 d ? -0.2 PHE 330 X 341 d ? -0.4 ASN 327 X 338 d ? -0.2 +4283 VAL 329 X 340 d ? ASN 327 X 338 d ? -0.2 PRO 331 X 342 d ? -0.0 PHE 328 X 339 d ? -0.0 GLY 374 V 375 b ? -0.0 +4284 PHE 330 X 341 d ? PHE 328 X 339 d ? -0.4 ALA 316 X 327 d ? -0.1 LEU 335 X 346 d ? -0.1 PHE 328 X 339 d ? -0.0 +4285 PRO 331 X 342 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 334 X 345 d ? -1.8 LEU 335 X 346 d ? -0.7 +4286 GLU 332 X 343 d ? GLU 333 X 344 d ? -0.3 VAL 334 X 345 d ? -0.2 LEU 335 X 346 d ? -1.5 ARG 383 V 384 b ? -0.2 +4287 GLU 333 X 344 d ? VAL 334 X 345 d ? -0.3 GLU 386 V 387 b ? -0.2 PHE 382 V 383 b ? -3.9 ARG 383 V 384 b ? -0.7 +4288 VAL 334 X 345 d ? PRO 331 X 342 d ? -1.8 PRO 381 V 382 b ? -0.3 GLU 333 X 344 d ? -0.3 GLU 332 X 343 d ? -0.2 +4289 LEU 335 X 346 d ? GLU 332 X 343 d ? -1.5 PRO 331 X 342 d ? -0.7 ARG 383 V 384 b ? -0.3 ARG 337 X 348 d ? -0.3 +4290 PRO 336 X 347 d ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 338 X 349 d ? -0.3 VAL 320 U 330 a ? -0.1 +4291 ARG 337 X 348 d ? LEU 335 X 346 d ? -0.3 MET 321 U 331 a ? -0.1 MET 321 U 331 a ? -0.2 GLY 164 AG 167 o ? -0.1 +4292 GLY 338 X 349 d ? VAL 320 U 330 a ? -3.4 PRO 336 X 347 d ? -0.3 ALA 340 X 351 d ? -0.2 ASN 325 U 335 a ? -0.2 +4293 ASN 339 X 350 d ? ARG 324 U 334 a ? -3.3 ALA 340 X 351 d ? -0.2 LEU 341 X 352 d ? -2.3 HIS 327 U 337 a ? -0.2 +4294 ALA 340 X 351 d ? GLY 94 AI 101 u ? -1.9 LEU 341 X 352 d ? -0.2 TYR 96 AI 103 u ? -0.3 ASN 339 X 350 d ? -0.2 +4295 LEU 341 X 352 d ? ASN 339 X 350 d ? -2.3 VAL 320 U 330 a ? -0.2 ALA 340 X 351 d ? -0.2 ASN 339 X 350 d ? -0.1 +4296 GLY 1 Y 6 e ? GLU 2 Y 7 e ? -0.1 ARG 3 Y 8 e ? -0.0 ARG 3 Y 8 e ? -0.1 ARG 15 X 26 d ? -0.1 +4297 GLU 2 Y 7 e ? ARG 3 Y 8 e ? -0.1 THR 3 Z 17 f ? -0.0 GLY 1 Y 6 e ? -0.1 PHE 5 Y 10 e ? -0.1 +4298 ARG 3 Y 8 e ? GLY 1 Y 6 e ? -0.1 PRO 4 Y 9 e ? -0.1 GLU 2 Y 7 e ? -0.1 ILE 8 Y 13 e ? -0.1 +4299 PRO 4 Y 9 e ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 8 Y 13 e ? -1.7 ASP 7 Y 12 e ? -0.4 +4300 PHE 5 Y 10 e ? SER 6 Y 11 e ? -0.2 ASP 7 Y 12 e ? -0.2 ILE 9 Y 14 e ? -3.0 THR 10 Y 15 e ? -0.2 +4301 SER 6 Y 11 e ? ASP 7 Y 12 e ? -0.2 ILE 8 Y 13 e ? -0.2 THR 10 Y 15 e ? -0.6 GLY 5 AC 5 j ? -0.3 +4302 ASP 7 Y 12 e ? PRO 4 Y 9 e ? -0.4 GLY 4 AC 4 j ? -0.2 GLY 5 AC 5 j ? -0.5 THR 10 Y 15 e ? -0.3 +4303 ILE 8 Y 13 e ? PRO 4 Y 9 e ? -1.7 ILE 9 Y 14 e ? -0.2 SER 11 Y 16 e ? -1.8 TYR 14 Y 19 e ? -0.4 +4304 ILE 9 Y 14 e ? PHE 5 Y 10 e ? -3.0 THR 10 Y 15 e ? -0.3 ILE 8 Y 13 e ? -0.2 ASP 7 Y 12 e ? -0.1 +4305 THR 10 Y 15 e ? SER 6 Y 11 e ? -0.6 ASP 7 Y 12 e ? -0.3 ILE 7 AC 7 j ? -3.1 ILE 9 Y 14 e ? -0.3 +4306 SER 11 Y 16 e ? ILE 8 Y 13 e ? -1.8 ARG 6 AC 6 j ? -0.2 TRP 15 Y 20 e ? -1.2 GLY 4 AC 4 j ? -0.1 +4307 VAL 12 Y 17 e ? GLU 3 AC 3 j ? -0.4 MET 1 AC 1 j ? -0.4 VAL 16 Y 21 e ? -2.5 ILE 17 Y 22 e ? -0.2 +4308 ARG 13 Y 18 e ? MET 1 AC 1 j ? -1.8 TYR 14 Y 19 e ? -0.2 ILE 17 Y 22 e ? -2.3 HIS 18 Y 23 e ? -0.2 +4309 TYR 14 Y 19 e ? ILE 8 Y 13 e ? -0.4 MET 1 AC 1 j ? -0.3 HIS 18 Y 23 e ? -2.8 ARG 13 Y 18 e ? -0.2 +4310 TRP 15 Y 20 e ? SER 11 Y 16 e ? -1.2 ILE 17 Y 22 e ? -0.2 SER 19 Y 24 e ? -2.1 ARG 13 Y 18 e ? -0.2 +4311 VAL 16 Y 21 e ? VAL 12 Y 17 e ? -2.5 HIS 18 Y 23 e ? -0.2 ILE 20 Y 25 e ? -0.5 TRP 15 Y 20 e ? -0.2 +4312 ILE 17 Y 22 e ? ARG 13 Y 18 e ? -2.3 HIS 18 Y 23 e ? -0.2 THR 21 Y 26 e ? -1.8 ILE 20 Y 25 e ? -1.0 +4313 HIS 18 Y 23 e ? TYR 14 Y 19 e ? -2.8 SER 19 Y 24 e ? -0.3 ILE 22 Y 27 e ? -1.9 ILE 17 Y 22 e ? -0.2 +4314 SER 19 Y 24 e ? TRP 15 Y 20 e ? -2.1 TYR 14 Y 19 e ? -0.2 HIS 18 Y 23 e ? -0.3 ILE 17 Y 22 e ? -0.2 +4315 ILE 20 Y 25 e ? ILE 17 Y 22 e ? -1.0 VAL 16 Y 21 e ? -0.5 ALA 24 Y 29 e ? -2.1 HIS 18 Y 23 e ? -0.2 +4316 THR 21 Y 26 e ? ILE 17 Y 22 e ? -1.8 ILE 22 Y 27 e ? -0.2 LEU 25 Y 30 e ? -1.8 PHE 26 Y 31 e ? -0.2 +4317 ILE 22 Y 27 e ? HIS 18 Y 23 e ? -1.9 ALA 24 Y 29 e ? -0.2 PHE 26 Y 31 e ? -2.2 THR 21 Y 26 e ? -0.2 +4318 PRO 23 Y 28 e ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 27 Y 32 e ? -3.4 ALA 28 Y 33 e ? -0.3 +4319 ALA 24 Y 29 e ? ILE 20 Y 25 e ? -2.1 LEU 25 Y 30 e ? -0.2 ALA 28 Y 33 e ? -1.9 ILE 22 Y 27 e ? -0.2 +4320 LEU 25 Y 30 e ? THR 21 Y 26 e ? -1.8 ILE 27 Y 32 e ? -0.2 GLY 29 Y 34 e ? -2.5 ALA 24 Y 29 e ? -0.2 +4321 PHE 26 Y 31 e ? ILE 22 Y 27 e ? -2.2 ILE 27 Y 32 e ? -0.2 TRP 30 Y 35 e ? -2.3 ALA 24 Y 29 e ? -0.2 +4322 ILE 27 Y 32 e ? PRO 23 Y 28 e ? -3.4 ALA 28 Y 33 e ? -0.2 LEU 31 Y 36 e ? -2.6 PHE 26 Y 31 e ? -0.2 +4323 ALA 28 Y 33 e ? ALA 24 Y 29 e ? -1.9 PRO 23 Y 28 e ? -0.3 PHE 32 Y 37 e ? -1.8 ILE 27 Y 32 e ? -0.2 +4324 GLY 29 Y 34 e ? LEU 25 Y 30 e ? -2.5 LEU 31 Y 36 e ? -0.2 VAL 33 Y 38 e ? -1.0 ILE 27 Y 32 e ? -0.2 +4325 TRP 30 Y 35 e ? PHE 26 Y 31 e ? -2.3 LEU 31 Y 36 e ? -0.2 SER 34 Y 39 e ? -2.7 VAL 33 Y 38 e ? -0.9 +4326 LEU 31 Y 36 e ? ILE 27 Y 32 e ? -2.6 PHE 32 Y 37 e ? -0.2 THR 35 Y 40 e ? -2.4 LEU 37 Y 42 e ? -0.4 +4327 PHE 32 Y 37 e ? ALA 28 Y 33 e ? -1.8 ILE 27 Y 32 e ? -0.2 ALA 38 Y 43 e ? -2.2 LEU 31 Y 36 e ? -0.2 +4328 VAL 33 Y 38 e ? GLY 29 Y 34 e ? -1.0 TRP 30 Y 35 e ? -0.9 GLY 36 Y 41 e ? -2.3 TYR 39 Y 44 e ? -0.2 +4329 SER 34 Y 39 e ? TRP 30 Y 35 e ? -2.7 THR 35 Y 40 e ? -0.3 LEU 31 Y 36 e ? -0.2 PHE 32 Y 37 e ? -0.2 +4330 THR 35 Y 40 e ? LEU 31 Y 36 e ? -2.4 TRP 30 Y 35 e ? -0.2 SER 34 Y 39 e ? -0.3 PHE 32 Y 37 e ? -0.1 +4331 GLY 36 Y 41 e ? VAL 33 Y 38 e ? -2.3 LEU 31 Y 36 e ? -0.2 ASP 40 Y 45 e ? -1.0 TYR 39 Y 44 e ? -0.7 +4332 LEU 37 Y 42 e ? LEU 31 Y 36 e ? -0.4 ALA 38 Y 43 e ? -0.2 VAL 41 Y 46 e ? -2.2 ASP 40 Y 45 e ? -0.5 +4333 ALA 38 Y 43 e ? PHE 32 Y 37 e ? -2.2 TYR 39 Y 44 e ? -0.2 PHE 42 Y 47 e ? -1.9 THR 44 Y 49 e ? -0.3 +4334 TYR 39 Y 44 e ? GLY 36 Y 41 e ? -0.7 VAL 33 Y 38 e ? -0.2 GLY 43 Y 48 e ? -1.8 THR 44 Y 49 e ? -1.0 +4335 ASP 40 Y 45 e ? GLY 36 Y 41 e ? -1.0 LEU 37 Y 42 e ? -0.5 ALA 38 Y 43 e ? -0.2 TYR 39 Y 44 e ? -0.2 +4336 VAL 41 Y 46 e ? LEU 37 Y 42 e ? -2.2 PHE 42 Y 47 e ? -0.2 ASP 40 Y 45 e ? -0.2 TYR 39 Y 44 e ? -0.2 +4337 PHE 42 Y 47 e ? ALA 38 Y 43 e ? -1.9 LEU 37 Y 42 e ? -0.2 ASP 40 Y 45 e ? -0.2 THR 45 X 56 d ? -0.2 +4338 GLY 43 Y 48 e ? TYR 39 Y 44 e ? -1.8 ALA 38 Y 43 e ? -0.3 ASP 40 Y 45 e ? -0.2 TYR 39 Y 44 e ? -0.1 +4339 THR 44 Y 49 e ? TYR 39 Y 44 e ? -1.0 ALA 38 Y 43 e ? -0.3 GLY 43 Y 48 e ? -0.2 PHE 42 Y 47 e ? -0.1 +4340 PRO 45 Y 50 e ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 50 Y 55 e ? -0.1 THR 44 Y 49 e ? -0.1 +4341 ARG 46 Y 51 e ? PRO 47 Y 52 e ? -0.1 SER 49 Y 54 e ? -0.0 SER 49 Y 54 e ? -2.6 TYR 50 Y 55 e ? -0.2 +4342 PRO 47 Y 52 e ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 299 U 309 a ? -2.6 LYS 300 U 310 a ? -0.4 +4343 ASP 48 Y 53 e ? ASP 298 U 308 a ? -0.2 SER 49 Y 54 e ? -0.2 GLN 53 Y 58 e ? -0.0 ASP 298 U 308 a ? -0.0 +4344 SER 49 Y 54 e ? ARG 46 Y 51 e ? -2.6 TYR 50 Y 55 e ? -0.1 ALA 1 AJ 1 v ? -0.2 ASP 48 Y 53 e ? -0.2 +4345 TYR 50 Y 55 e ? PRO 47 Y 52 e ? -0.4 TYR 51 Y 56 e ? -0.2 ALA 52 Y 57 e ? -0.3 ALA 1 AJ 1 v ? -0.2 +4346 TYR 51 Y 56 e ? ALA 1 AJ 1 v ? -0.1 ILE 58 Y 63 e ? -0.1 TYR 50 Y 55 e ? -0.2 ALA 1 AJ 1 v ? -0.1 +4347 ALA 52 Y 57 e ? TYR 50 Y 55 e ? -0.3 SER 49 Y 54 e ? -0.1 GLN 55 Y 60 e ? -0.3 LEU 78 Y 83 e ? -0.1 +4348 GLN 53 Y 58 e ? GLU 54 Y 59 e ? -0.2 TYR 51 Y 56 e ? -0.1 THR 4 AJ 4 v ? -0.1 ALA 52 Y 57 e ? -0.1 +4349 GLU 54 Y 59 e ? ALA 1 AJ 1 v ? -0.0 ARG 56 Y 61 e ? -0.0 GLN 53 Y 58 e ? -0.2 ARG 56 Y 61 e ? -0.1 +4350 GLN 55 Y 60 e ? ALA 52 Y 57 e ? -0.3 ARG 56 Y 61 e ? -0.1 TYR 51 Y 56 e ? -0.0 ILE 58 Y 63 e ? -0.0 +4351 ARG 56 Y 61 e ? GLU 54 Y 59 e ? -0.1 ILE 58 Y 63 e ? -0.1 ILE 58 Y 63 e ? -0.3 GLN 55 Y 60 e ? -0.1 +4352 SER 57 Y 62 e ? ILE 58 Y 63 e ? -0.0 PRO 59 Y 64 e ? -0.0 GLN 55 Y 60 e ? -0.1 ? ? ? ? ? ? ? +4353 ILE 58 Y 63 e ? ARG 56 Y 61 e ? -0.3 PRO 59 Y 64 e ? -0.1 LEU 60 Y 65 e ? -2.2 TYR 51 Y 56 e ? -0.1 +4354 PRO 59 Y 64 e ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 61 Y 66 e ? -0.3 GLY 51 X 62 d ? -0.1 +4355 LEU 60 Y 65 e ? ILE 58 Y 63 e ? -2.2 HIS 50 X 61 d ? -0.1 THR 62 Y 67 e ? -0.4 THR 49 X 60 d ? -0.2 +4356 VAL 61 Y 66 e ? TYR 48 X 59 d ? -2.4 PRO 59 Y 64 e ? -0.3 SER 73 X 84 d ? -0.4 ASN 72 X 83 d ? -0.1 +4357 THR 62 Y 67 e ? LEU 60 Y 65 e ? -0.4 ASP 63 Y 68 e ? -0.1 ARG 64 Y 69 e ? -0.4 VAL 61 Y 66 e ? -0.1 +4358 ASP 63 Y 68 e ? ARG 64 Y 69 e ? -0.2 MET 74 X 85 d ? -0.0 ALA 67 Y 72 e ? -0.2 GLN 70 Y 75 e ? -0.1 +4359 ARG 64 Y 69 e ? THR 62 Y 67 e ? -0.4 SER 73 X 84 d ? -0.3 ALA 67 Y 72 e ? -0.6 LYS 68 Y 73 e ? -0.2 +4360 PHE 65 Y 70 e ? GLU 66 Y 71 e ? -0.2 ALA 67 Y 72 e ? -0.1 LYS 68 Y 73 e ? -0.2 ARG 64 Y 69 e ? -0.2 +4361 GLU 66 Y 71 e ? ALA 67 Y 72 e ? -0.1 LYS 68 Y 73 e ? -0.1 GLN 70 Y 75 e ? -2.4 PHE 65 Y 70 e ? -0.2 +4362 ALA 67 Y 72 e ? ARG 64 Y 69 e ? -0.6 LYS 68 Y 73 e ? -0.2 VAL 71 Y 76 e ? -2.1 GLU 72 Y 77 e ? -0.2 +4363 LYS 68 Y 73 e ? GLU 85 X 96 d ? -0.5 ARG 64 Y 69 e ? -0.2 GLU 72 Y 77 e ? -1.6 ALA 67 Y 72 e ? -0.2 +4364 GLN 69 Y 74 e ? GLN 70 Y 75 e ? -0.2 VAL 71 Y 76 e ? -0.2 THR 73 Y 78 e ? -2.6 ALA 67 Y 72 e ? -0.2 +4365 GLN 70 Y 75 e ? GLU 66 Y 71 e ? -2.4 VAL 71 Y 76 e ? -0.2 PHE 74 Y 79 e ? -2.3 GLN 69 Y 74 e ? -0.2 +4366 VAL 71 Y 76 e ? ALA 67 Y 72 e ? -2.1 THR 73 Y 78 e ? -0.2 LEU 75 Y 80 e ? -2.3 GLN 70 Y 75 e ? -0.2 +4367 GLU 72 Y 77 e ? LYS 68 Y 73 e ? -1.6 THR 73 Y 78 e ? -0.2 GLU 76 Y 81 e ? -2.0 VAL 71 Y 76 e ? -0.2 +4368 THR 73 Y 78 e ? GLN 69 Y 74 e ? -2.6 PHE 74 Y 79 e ? -0.2 GLN 77 Y 82 e ? -1.6 VAL 71 Y 76 e ? -0.2 +4369 PHE 74 Y 79 e ? GLN 70 Y 75 e ? -2.3 LEU 75 Y 80 e ? -0.2 THR 73 Y 78 e ? -0.2 GLU 72 Y 77 e ? -0.2 +4370 LEU 75 Y 80 e ? VAL 71 Y 76 e ? -2.3 GLU 76 Y 81 e ? -0.2 LEU 78 Y 83 e ? -1.1 PHE 74 Y 79 e ? -0.2 +4371 GLU 76 Y 81 e ? GLU 72 Y 77 e ? -2.0 GLN 77 Y 82 e ? -0.2 LYS 79 Y 84 e ? -2.3 LEU 75 Y 80 e ? -0.2 +4372 GLN 77 Y 82 e ? THR 73 Y 78 e ? -1.6 LEU 78 Y 83 e ? -0.3 GLU 76 Y 81 e ? -0.2 LEU 75 Y 80 e ? -0.2 +4373 LEU 78 Y 83 e ? LEU 75 Y 80 e ? -1.1 LYS 79 Y 84 e ? -0.2 GLN 77 Y 82 e ? -0.3 GLU 76 Y 81 e ? -0.1 +4374 LYS 79 Y 84 e ? GLU 76 Y 81 e ? -2.3 ALA 52 Y 57 e ? -0.0 LEU 78 Y 83 e ? -0.2 GLN 77 Y 82 e ? -0.0 +4375 ILE 1 Z 15 f ? THR 3 Z 17 f ? -0.0 ? ? ? ? ? ? ? THR 3 Z 17 f ? -0.2 ? ? ? ? ? ? ? +4376 PHE 2 Z 16 f ? THR 3 Z 17 f ? -0.1 VAL 4 Z 18 f ? -0.0 VAL 4 Z 18 f ? -0.1 ? ? ? ? ? ? ? +4377 THR 3 Z 17 f ? ILE 1 Z 15 f ? -0.2 VAL 4 Z 18 f ? -0.1 VAL 7 Z 21 f ? -1.9 ALA 8 Z 22 f ? -0.1 +4378 VAL 4 Z 18 f ? TRP 6 Z 20 f ? -0.2 ARG 5 Z 19 f ? -0.2 ALA 8 Z 22 f ? -2.7 VAL 9 Z 23 f ? -0.1 +4379 ARG 5 Z 19 f ? VAL 7 Z 21 f ? -0.2 TRP 6 Z 20 f ? -0.2 VAL 9 Z 23 f ? -2.5 HIS 10 Z 24 f ? -0.2 +4380 TRP 6 Z 20 f ? ALA 8 Z 22 f ? -0.2 VAL 7 Z 21 f ? -0.2 HIS 10 Z 24 f ? -2.5 VAL 4 Z 18 f ? -0.2 +4381 VAL 7 Z 21 f ? THR 3 Z 17 f ? -1.9 ALA 8 Z 22 f ? -0.2 THR 11 Z 25 f ? -2.5 LEU 12 Z 26 f ? -0.2 +4382 ALA 8 Z 22 f ? VAL 4 Z 18 f ? -2.7 VAL 9 Z 23 f ? -0.2 LEU 12 Z 26 f ? -0.8 VAL 7 Z 21 f ? -0.2 +4383 VAL 9 Z 23 f ? ARG 5 Z 19 f ? -2.5 HIS 10 Z 24 f ? -0.2 ALA 13 Z 27 f ? -2.8 LEU 12 Z 26 f ? -0.5 +4384 HIS 10 Z 24 f ? TRP 6 Z 20 f ? -2.5 THR 11 Z 25 f ? -0.2 VAL 14 Z 28 f ? -2.4 ALA 8 Z 22 f ? -0.2 +4385 THR 11 Z 25 f ? VAL 7 Z 21 f ? -2.5 LEU 12 Z 26 f ? -0.2 HIS 10 Z 24 f ? -0.2 VAL 9 Z 23 f ? -0.2 +4386 LEU 12 Z 26 f ? ALA 8 Z 22 f ? -0.8 VAL 9 Z 23 f ? -0.5 THR 16 Z 30 f ? -1.6 HIS 10 Z 24 f ? -0.2 +4387 ALA 13 Z 27 f ? VAL 9 Z 23 f ? -2.8 PRO 15 Z 29 f ? -0.2 ILE 17 Z 31 f ? -1.9 PHE 18 Z 32 f ? -0.2 +4388 VAL 14 Z 28 f ? HIS 10 Z 24 f ? -2.4 PRO 15 Z 29 f ? -0.2 PHE 18 Z 32 f ? -1.7 ALA 13 Z 27 f ? -0.2 +4389 PRO 15 Z 29 f ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 19 Z 33 f ? -3.0 LEU 20 Z 34 f ? -0.2 +4390 THR 16 Z 30 f ? LEU 12 Z 26 f ? -1.6 ILE 17 Z 31 f ? -0.2 LEU 20 Z 34 f ? -2.2 VAL 14 Z 28 f ? -0.2 +4391 ILE 17 Z 31 f ? ALA 13 Z 27 f ? -1.9 PHE 18 Z 32 f ? -0.2 GLY 21 Z 35 f ? -2.0 THR 16 Z 30 f ? -0.2 +4392 PHE 18 Z 32 f ? VAL 14 Z 28 f ? -1.7 PHE 19 Z 33 f ? -0.2 ALA 22 Z 36 f ? -1.8 ILE 17 Z 31 f ? -0.2 +4393 PHE 19 Z 33 f ? PRO 15 Z 29 f ? -3.0 LEU 20 Z 34 f ? -0.2 ILE 23 Z 37 f ? -2.5 ILE 17 Z 31 f ? -0.2 +4394 LEU 20 Z 34 f ? THR 16 Z 30 f ? -2.2 PRO 15 Z 29 f ? -0.2 ALA 24 Z 38 f ? -2.4 PHE 19 Z 33 f ? -0.2 +4395 GLY 21 Z 35 f ? ILE 17 Z 31 f ? -2.0 ILE 23 Z 37 f ? -0.2 ALA 25 Z 39 f ? -2.0 PHE 19 Z 33 f ? -0.2 +4396 ALA 22 Z 36 f ? PHE 18 Z 32 f ? -1.8 ALA 24 Z 38 f ? -0.2 MET 26 Z 40 f ? -1.5 LEU 20 Z 34 f ? -0.2 +4397 ILE 23 Z 37 f ? PHE 19 Z 33 f ? -2.5 ALA 25 Z 39 f ? -0.2 GLN 27 Z 41 f ? -0.7 GLY 21 Z 35 f ? -0.2 +4398 ALA 24 Z 38 f ? LEU 20 Z 34 f ? -2.4 ALA 25 Z 39 f ? -0.2 GLN 27 Z 41 f ? -1.3 PHE 28 Z 42 f ? -0.2 +4399 ALA 25 Z 39 f ? GLY 21 Z 35 f ? -2.0 MET 26 Z 40 f ? -0.3 PHE 28 Z 42 f ? -1.6 ALA 24 Z 38 f ? -0.2 +4400 MET 26 Z 40 f ? ALA 22 Z 36 f ? -1.5 GLN 27 Z 41 f ? -0.3 ILE 29 Z 43 f ? -1.6 LEU 35 AC 35 j ? -0.3 +4401 GLN 27 Z 41 f ? ALA 24 Z 38 f ? -1.3 ILE 23 Z 37 f ? -0.7 MET 26 Z 40 f ? -0.3 ALA 25 Z 39 f ? -0.2 +4402 PHE 28 Z 42 f ? ALA 25 Z 39 f ? -1.6 ALA 24 Z 38 f ? -0.2 GLN 30 Z 44 f ? -0.3 GLN 27 Z 41 f ? -0.3 +4403 ILE 29 Z 43 f ? MET 26 Z 40 f ? -1.6 ALA 33 AC 33 j ? -0.1 LEU 35 AC 35 j ? -1.7 ARG 31 Z 45 f ? -0.3 +4404 GLN 30 Z 44 f ? PHE 28 Z 42 f ? -0.3 GLY 34 AC 34 j ? -0.2 ALA 299 U 309 a ? -0.1 PHE 28 Z 42 f ? -0.1 +4405 ARG 31 Z 45 f ? ILE 29 Z 43 f ? -0.3 ASP 298 U 308 a ? -0.1 GLN 30 Z 44 f ? -0.1 ILE 29 Z 43 f ? -0.0 +4406 ALA 1 AA 2 h ? LEU 119 V 120 b ? -0.1 ARG 2 AA 3 h ? -0.1 ARG 3 AA 4 h ? -0.5 LEU 119 V 120 b ? -0.2 +4407 ARG 2 AA 3 h ? ASP 118 V 119 b ? -1.4 TYR 116 V 117 b ? -0.1 GLU 120 V 121 b ? -1.7 LEU 121 V 122 b ? -0.4 +4408 ARG 3 AA 4 h ? ALA 1 AA 2 h ? -0.5 LEU 119 V 120 b ? -0.2 TRP 5 AA 6 h ? -0.3 LEU 6 AA 7 h ? -0.1 +4409 THR 4 AA 5 h ? ARG 2 AA 3 h ? -0.2 TRP 5 AA 6 h ? -0.1 ASP 8 AA 9 h ? -2.2 ILE 9 AA 10 h ? -0.2 +4410 TRP 5 AA 6 h ? ARG 3 AA 4 h ? -0.3 GLY 7 AA 8 h ? -0.2 ILE 9 AA 10 h ? -1.8 LEU 10 AA 11 h ? -0.1 +4411 LEU 6 AA 7 h ? GLY 7 AA 8 h ? -0.2 ASP 8 AA 9 h ? -0.2 LEU 10 AA 11 h ? -2.5 ARG 11 AA 12 h ? -0.2 +4412 GLY 7 AA 8 h ? ASP 8 AA 9 h ? -0.2 ILE 9 AA 10 h ? -0.2 ARG 11 AA 12 h ? -1.2 LEU 6 AA 7 h ? -0.2 +4413 ASP 8 AA 9 h ? THR 4 AA 5 h ? -2.2 LEU 10 AA 11 h ? -0.2 GLY 7 AA 8 h ? -0.2 LEU 6 AA 7 h ? -0.2 +4414 ILE 9 AA 10 h ? TRP 5 AA 6 h ? -1.8 LEU 10 AA 11 h ? -0.2 GLY 7 AA 8 h ? -0.2 LEU 13 AA 14 h ? -0.2 +4415 LEU 10 AA 11 h ? LEU 6 AA 7 h ? -2.5 ARG 11 AA 12 h ? -0.2 LEU 13 AA 14 h ? -1.4 ASN 14 AA 15 h ? -0.4 +4416 ARG 11 AA 12 h ? GLY 7 AA 8 h ? -1.2 PRO 12 AA 13 h ? -0.3 ASN 14 AA 15 h ? -1.8 LEU 10 AA 11 h ? -0.2 +4417 PRO 12 AA 13 h ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? SER 15 AA 16 h ? -1.1 ARG 11 AA 12 h ? -0.3 +4418 LEU 13 AA 14 h ? LEU 10 AA 11 h ? -1.4 ASN 14 AA 15 h ? -0.3 ARG 11 AA 12 h ? -0.2 ASP 133 V 134 b ? -0.1 +4419 ASN 14 AA 15 h ? ARG 11 AA 12 h ? -1.8 LEU 10 AA 11 h ? -0.4 LEU 13 AA 14 h ? -0.3 TYR 17 AA 18 h ? -0.1 +4420 SER 15 AA 16 h ? PRO 12 AA 13 h ? -1.1 ASP 124 V 125 b ? -0.1 LEU 13 AA 14 h ? -0.1 ARG 126 V 127 b ? -0.1 +4421 GLU 16 AA 17 h ? PRO 12 AA 13 h ? -0.2 LEU 13 AA 14 h ? -0.1 LYS 19 AA 20 h ? -2.2 SER 15 AA 16 h ? -0.1 +4422 TYR 17 AA 18 h ? GLY 18 AA 19 h ? -0.3 ASN 14 AA 15 h ? -0.1 ASP 133 V 134 b ? -0.1 VAL 20 AA 21 h ? -0.1 +4423 GLY 18 AA 19 h ? LYS 19 AA 20 h ? -0.2 MET 230 V 231 b ? -0.1 VAL 20 AA 21 h ? -0.3 TYR 17 AA 18 h ? -0.3 +4424 LYS 19 AA 20 h ? GLU 16 AA 17 h ? -2.2 VAL 20 AA 21 h ? -0.0 ALA 21 AA 22 h ? -0.3 GLY 18 AA 19 h ? -0.2 +4425 VAL 20 AA 21 h ? GLY 18 AA 19 h ? -0.3 ARG 219 V 220 b ? -0.1 ARG 219 V 220 b ? -0.1 GLY 23 AA 24 h ? -0.0 +4426 ALA 21 AA 22 h ? PRO 220 V 221 b ? -2.6 LYS 19 AA 20 h ? -0.3 GLN 222 V 223 b ? -2.6 ARG 223 V 224 b ? -0.2 +4427 PRO 22 AA 23 h ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 25 AA 26 h ? -1.3 ALA 21 AA 22 h ? -0.1 +4428 GLY 23 AA 24 h ? TRP 24 AA 25 h ? -0.2 PRO 221 V 222 b ? -0.1 ARG 223 V 224 b ? -2.1 LEU 224 V 225 b ? -0.4 +4429 TRP 24 AA 25 h ? GLY 25 AA 26 h ? -0.2 GLN 222 V 223 b ? -0.2 THR 27 AA 28 h ? -2.6 GLY 23 AA 24 h ? -0.2 +4430 GLY 25 AA 26 h ? PRO 22 AA 23 h ? -1.3 THR 26 AA 27 h ? -0.3 TRP 24 AA 25 h ? -0.2 LEU 29 AA 30 h ? -0.2 +4431 THR 26 AA 27 h ? THR 27 AA 28 h ? -0.2 PRO 28 AA 29 h ? -0.1 MET 30 AA 31 h ? -2.6 GLY 25 AA 26 h ? -0.3 +4432 THR 27 AA 28 h ? TRP 24 AA 25 h ? -2.6 PRO 28 AA 29 h ? -0.2 ALA 31 AA 32 h ? -2.5 THR 26 AA 27 h ? -0.2 +4433 PRO 28 AA 29 h ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 32 AA 33 h ? -1.7 THR 27 AA 28 h ? -0.2 +4434 LEU 29 AA 30 h ? MET 30 AA 31 h ? -0.2 ALA 31 AA 32 h ? -0.2 PHE 33 AA 34 h ? -1.9 VAL 32 AA 33 h ? -0.2 +4435 MET 30 AA 31 h ? THR 26 AA 27 h ? -2.6 ALA 31 AA 32 h ? -0.2 MET 34 AA 35 h ? -2.1 LEU 29 AA 30 h ? -0.2 +4436 ALA 31 AA 32 h ? THR 27 AA 28 h ? -2.5 VAL 32 AA 33 h ? -0.2 GLY 35 AA 36 h ? -2.3 MET 30 AA 31 h ? -0.2 +4437 VAL 32 AA 33 h ? PRO 28 AA 29 h ? -1.7 LEU 29 AA 30 h ? -0.2 LEU 36 AA 37 h ? -2.9 PHE 37 AA 38 h ? -0.2 +4438 PHE 33 AA 34 h ? LEU 29 AA 30 h ? -1.9 MET 34 AA 35 h ? -0.2 PHE 37 AA 38 h ? -2.2 VAL 32 AA 33 h ? -0.2 +4439 MET 34 AA 35 h ? MET 30 AA 31 h ? -2.1 LEU 36 AA 37 h ? -0.2 LEU 38 AA 39 h ? -1.9 PHE 33 AA 34 h ? -0.2 +4440 GLY 35 AA 36 h ? ALA 31 AA 32 h ? -2.3 PHE 37 AA 38 h ? -0.2 VAL 39 AA 40 h ? -2.0 LEU 38 AA 39 h ? -0.3 +4441 LEU 36 AA 37 h ? VAL 32 AA 33 h ? -2.9 PHE 37 AA 38 h ? -0.2 PHE 40 AA 41 h ? -2.1 MET 34 AA 35 h ? -0.2 +4442 PHE 37 AA 38 h ? PHE 33 AA 34 h ? -2.2 VAL 32 AA 33 h ? -0.2 LEU 41 AA 42 h ? -2.5 LEU 36 AA 37 h ? -0.2 +4443 LEU 38 AA 39 h ? MET 34 AA 35 h ? -1.9 GLY 35 AA 36 h ? -0.3 LEU 42 AA 43 h ? -2.4 PHE 37 AA 38 h ? -0.2 +4444 VAL 39 AA 40 h ? GLY 35 AA 36 h ? -2.0 LEU 41 AA 42 h ? -0.2 ILE 43 AA 44 h ? -2.4 PHE 37 AA 38 h ? -0.2 +4445 PHE 40 AA 41 h ? LEU 36 AA 37 h ? -2.1 LEU 42 AA 43 h ? -0.2 ILE 44 AA 45 h ? -2.3 LEU 45 AA 46 h ? -0.3 +4446 LEU 41 AA 42 h ? PHE 37 AA 38 h ? -2.5 LEU 42 AA 43 h ? -0.2 LEU 45 AA 46 h ? -1.8 PHE 40 AA 41 h ? -0.2 +4447 LEU 42 AA 43 h ? LEU 38 AA 39 h ? -2.4 ILE 44 AA 45 h ? -0.2 GLU 46 AA 47 h ? -2.4 LEU 41 AA 42 h ? -0.2 +4448 ILE 43 AA 44 h ? VAL 39 AA 40 h ? -2.4 LEU 45 AA 46 h ? -0.2 ILE 47 AA 48 h ? -1.8 LEU 41 AA 42 h ? -0.2 +4449 ILE 44 AA 45 h ? PHE 40 AA 41 h ? -2.3 LEU 45 AA 46 h ? -0.2 TYR 48 AA 49 h ? -1.9 ILE 43 AA 44 h ? -0.2 +4450 LEU 45 AA 46 h ? LEU 41 AA 42 h ? -1.8 PHE 40 AA 41 h ? -0.3 ASN 49 AA 50 h ? -2.1 ILE 44 AA 45 h ? -0.2 +4451 GLU 46 AA 47 h ? LEU 42 AA 43 h ? -2.4 TYR 48 AA 49 h ? -0.2 LEU 52 AA 53 h ? -2.8 THR 51 AA 52 h ? -1.9 +4452 ILE 47 AA 48 h ? ILE 43 AA 44 h ? -1.8 ASN 49 AA 50 h ? -0.2 SER 50 AA 51 h ? -1.2 GLU 46 AA 47 h ? -0.2 +4453 TYR 48 AA 49 h ? ILE 44 AA 45 h ? -1.9 ASN 49 AA 50 h ? -0.2 GLU 46 AA 47 h ? -0.2 ILE 47 AA 48 h ? -0.2 +4454 ASN 49 AA 50 h ? LEU 45 AA 46 h ? -2.1 ILE 44 AA 45 h ? -0.1 TYR 48 AA 49 h ? -0.2 ILE 47 AA 48 h ? -0.2 +4455 SER 50 AA 51 h ? ILE 47 AA 48 h ? -1.2 GLU 46 AA 47 h ? -0.5 ILE 47 AA 48 h ? -0.2 ILE 53 AA 54 h ? -0.1 +4456 THR 51 AA 52 h ? GLU 46 AA 47 h ? -1.9 LEU 52 AA 53 h ? -0.2 ILE 53 AA 54 h ? -0.5 ILE 47 AA 48 h ? -0.2 +4457 LEU 52 AA 53 h ? GLU 46 AA 47 h ? -2.8 ILE 43 AA 44 h ? -0.1 LEU 54 AA 55 h ? -0.5 SER 50 AA 51 h ? -0.3 +4458 ILE 53 AA 54 h ? THR 51 AA 52 h ? -0.5 SER 50 AA 51 h ? -0.1 LEU 6 AK 7 x ? -0.3 SER 5 AK 6 x ? -0.3 +4459 LEU 54 AA 55 h ? LEU 52 AA 53 h ? -0.5 VAL 57 AA 58 h ? -0.4 VAL 57 AA 58 h ? -1.8 GLY 56 AA 57 h ? -0.1 +4460 ASP 55 AA 56 h ? THR 1 AK 2 x ? -0.3 ILE 53 AA 54 h ? -0.3 ASN 58 AA 59 h ? -0.1 LEU 54 AA 55 h ? -0.1 +4461 GLY 56 AA 57 h ? VAL 57 AA 58 h ? -0.1 LEU 54 AA 55 h ? -0.1 ASN 58 AA 59 h ? -0.7 ASP 55 AA 56 h ? -0.3 +4462 VAL 57 AA 58 h ? LEU 54 AA 55 h ? -1.8 VAL 59 AA 60 h ? -0.0 VAL 59 AA 60 h ? -0.8 LEU 54 AA 55 h ? -0.4 +4463 ASN 58 AA 59 h ? GLY 56 AA 57 h ? -0.7 SER 60 AA 61 h ? -0.1 SER 60 AA 61 h ? -1.9 TYR 192 V 193 b ? -0.1 +4464 VAL 59 AA 60 h ? VAL 57 AA 58 h ? -0.8 ILE 47 AA 48 h ? -0.1 TRP 61 AA 62 h ? -0.3 VAL 57 AA 58 h ? -0.0 +4465 SER 60 AA 61 h ? ASN 58 AA 59 h ? -1.9 TRP 61 AA 62 h ? -0.1 ALA 63 AA 64 h ? -1.3 ASN 58 AA 59 h ? -0.1 +4466 TRP 61 AA 62 h ? VAL 59 AA 60 h ? -0.3 LYS 62 AA 63 h ? -0.3 LEU 64 AA 65 h ? -2.4 TYR 171 V 172 b ? -0.1 +4467 LYS 62 AA 63 h ? ALA 63 AA 64 h ? -0.3 PRO 170 V 171 b ? -0.1 TRP 61 AA 62 h ? -0.3 VAL 59 AA 60 h ? -0.1 +4468 ALA 63 AA 64 h ? SER 60 AA 61 h ? -1.3 ASN 58 AA 59 h ? -0.1 LYS 62 AA 63 h ? -0.3 TRP 61 AA 62 h ? -0.1 +4469 LEU 64 AA 65 h ? TRP 61 AA 62 h ? -2.4 ASN 193 V 194 b ? -0.1 ASP 169 V 170 b ? -0.2 ASN 193 V 194 b ? -0.1 +4470 FME 1 AB 1 i ? GLU 88 U 98 a ? -0.0 SER 91 U 101 a ? -0.0 LYS 5 AB 5 i ? -2.7 ILE 6 AB 6 i ? -0.1 +4471 GLU 2 AB 2 i ? THR 3 AB 3 i ? -0.2 LEU 4 AB 4 i ? -0.2 ILE 6 AB 6 i ? -2.6 THR 7 AB 7 i ? -0.2 +4472 THR 3 AB 3 i ? LYS 5 AB 5 i ? -0.2 LEU 4 AB 4 i ? -0.2 THR 7 AB 7 i ? -2.7 GLU 2 AB 2 i ? -0.2 +4473 LEU 4 AB 4 i ? ILE 6 AB 6 i ? -0.2 LYS 5 AB 5 i ? -0.2 VAL 8 AB 8 i ? -2.5 THR 3 AB 3 i ? -0.2 +4474 LYS 5 AB 5 i ? FME 1 AB 1 i ? -2.7 THR 7 AB 7 i ? -0.2 TYR 9 AB 9 i ? -2.6 THR 3 AB 3 i ? -0.2 +4475 ILE 6 AB 6 i ? GLU 2 AB 2 i ? -2.6 THR 7 AB 7 i ? -0.2 ILE 10 AB 10 i ? -2.3 LYS 5 AB 5 i ? -0.2 +4476 THR 7 AB 7 i ? THR 3 AB 3 i ? -2.7 TYR 9 AB 9 i ? -0.2 VAL 11 AB 11 i ? -3.0 ILE 6 AB 6 i ? -0.2 +4477 VAL 8 AB 8 i ? LEU 4 AB 4 i ? -2.5 TYR 9 AB 9 i ? -0.2 VAL 12 AB 12 i ? -3.0 THR 13 AB 13 i ? -0.3 +4478 TYR 9 AB 9 i ? LYS 5 AB 5 i ? -2.6 LEU 4 AB 4 i ? -0.2 THR 13 AB 13 i ? -2.3 VAL 8 AB 8 i ? -0.2 +4479 ILE 10 AB 10 i ? ILE 6 AB 6 i ? -2.3 VAL 12 AB 12 i ? -0.2 PHE 14 AB 14 i ? -2.7 VAL 8 AB 8 i ? -0.2 +4480 VAL 11 AB 11 i ? THR 7 AB 7 i ? -3.0 THR 13 AB 13 i ? -0.2 PHE 15 AB 15 i ? -2.1 VAL 16 AB 16 i ? -0.2 +4481 VAL 12 AB 12 i ? VAL 8 AB 8 i ? -3.0 THR 13 AB 13 i ? -0.2 VAL 16 AB 16 i ? -2.4 LEU 17 AB 17 i ? -0.2 +4482 THR 13 AB 13 i ? TYR 9 AB 9 i ? -2.3 VAL 8 AB 8 i ? -0.3 LEU 17 AB 17 i ? -2.4 VAL 12 AB 12 i ? -0.2 +4483 PHE 14 AB 14 i ? ILE 10 AB 10 i ? -2.7 PHE 15 AB 15 i ? -0.2 LEU 18 AB 18 i ? -2.0 THR 13 AB 13 i ? -0.2 +4484 PHE 15 AB 15 i ? VAL 11 AB 11 i ? -2.1 VAL 16 AB 16 i ? -0.2 PHE 19 AB 19 i ? -1.7 PHE 14 AB 14 i ? -0.2 +4485 VAL 16 AB 16 i ? VAL 12 AB 12 i ? -2.4 LEU 18 AB 18 i ? -0.2 VAL 20 AB 20 i ? -2.6 PHE 15 AB 15 i ? -0.2 +4486 LEU 17 AB 17 i ? THR 13 AB 13 i ? -2.4 VAL 12 AB 12 i ? -0.2 PHE 21 AB 21 i ? -2.7 GLY 22 AB 22 i ? -0.3 +4487 LEU 18 AB 18 i ? PHE 14 AB 14 i ? -2.0 THR 13 AB 13 i ? -0.2 GLY 22 AB 22 i ? -1.9 LEU 17 AB 17 i ? -0.2 +4488 PHE 19 AB 19 i ? PHE 15 AB 15 i ? -1.7 PHE 21 AB 21 i ? -0.2 PHE 23 AB 23 i ? -2.3 LEU 17 AB 17 i ? -0.2 +4489 VAL 20 AB 20 i ? VAL 16 AB 16 i ? -2.6 PHE 21 AB 21 i ? -0.2 LEU 24 AB 24 i ? -1.3 LEU 18 AB 18 i ? -0.2 +4490 PHE 21 AB 21 i ? LEU 17 AB 17 i ? -2.7 VAL 16 AB 16 i ? -0.2 SER 25 AB 25 i ? -0.6 VAL 20 AB 20 i ? -0.2 +4491 GLY 22 AB 22 i ? LEU 18 AB 18 i ? -1.9 LEU 17 AB 17 i ? -0.3 SER 25 AB 25 i ? -1.0 VAL 20 AB 20 i ? -0.2 +4492 PHE 23 AB 23 i ? PHE 19 AB 19 i ? -2.3 LEU 24 AB 24 i ? -0.2 ASP 27 AB 27 i ? -0.8 GLY 22 AB 22 i ? -0.2 +4493 LEU 24 AB 24 i ? VAL 20 AB 20 i ? -1.3 PHE 19 AB 19 i ? -0.2 GLY 26 AB 26 i ? -1.3 PHE 23 AB 23 i ? -0.2 +4494 SER 25 AB 25 i ? GLY 22 AB 22 i ? -1.0 PHE 21 AB 21 i ? -0.6 LEU 24 AB 24 i ? -0.2 ALA 245 W 263 c ? -0.1 +4495 GLY 26 AB 26 i ? LEU 24 AB 24 i ? -1.3 TRP 241 W 259 c ? -0.2 ALA 29 AB 29 i ? -0.8 ARG 30 AB 30 i ? -0.5 +4496 ASP 27 AB 27 i ? PHE 23 AB 23 i ? -0.8 PRO 28 AB 28 i ? -0.2 ARG 30 AB 30 i ? -1.7 ALA 245 W 263 c ? -0.1 +4497 PRO 28 AB 28 i ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 27 AB 27 i ? -0.2 ASP 36 AB 36 i ? -0.1 +4498 ALA 29 AB 29 i ? GLY 26 AB 26 i ? -0.8 ARG 244 W 262 c ? -0.3 ASN 31 AB 31 i ? -2.1 ASP 27 AB 27 i ? -0.2 +4499 ARG 30 AB 30 i ? ASP 27 AB 27 i ? -1.7 GLY 26 AB 26 i ? -0.5 ALA 29 AB 29 i ? -0.2 LYS 35 AB 35 i ? -0.1 +4500 ASN 31 AB 31 i ? ALA 29 AB 29 i ? -2.1 LYS 33 AB 33 i ? -0.1 ARG 126 U 136 a ? -0.2 LEU 127 U 137 a ? -0.1 +4501 PRO 32 AB 32 i ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 35 AB 35 i ? -0.1 ARG 126 U 136 a ? -0.1 +4502 LYS 33 AB 33 i ? ARG 34 AB 34 i ? -0.3 ? ? ? ? ? ? ? LYS 35 AB 35 i ? -0.5 GLY 436 W 454 c ? -0.1 +4503 ARG 34 AB 34 i ? ALA 435 W 453 c ? -1.3 LYS 35 AB 35 i ? -0.1 LYS 33 AB 33 i ? -0.3 ASP 36 AB 36 i ? -0.3 +4504 LYS 35 AB 35 i ? LYS 33 AB 33 i ? -0.5 ASP 36 AB 36 i ? -0.1 ALA 29 AB 29 i ? -0.2 ARG 34 AB 34 i ? -0.1 +4505 ASP 36 AB 36 i ? ARG 34 AB 34 i ? -0.3 PRO 28 AB 28 i ? -0.1 GLU 38 AB 38 i ? -0.3 LYS 35 AB 35 i ? -0.1 +4506 LEU 37 AB 37 i ? ARG 244 W 262 c ? -0.1 LYS 35 AB 35 i ? -0.1 ALA 29 AB 29 i ? -0.1 PHE 246 W 264 c ? -0.1 +4507 GLU 38 AB 38 i ? ASP 36 AB 36 i ? -0.3 ALA 245 W 263 c ? -0.1 ARG 244 W 262 c ? -0.1 ARG 243 W 261 c ? -0.1 +4508 MET 1 AC 1 j ? GLU 3 AC 3 j ? -0.1 SER 2 AC 2 j ? -0.0 ARG 13 Y 18 e ? -1.8 VAL 12 Y 17 e ? -0.4 +4509 SER 2 AC 2 j ? VAL 12 Y 17 e ? -0.2 ARG 13 Y 18 e ? -0.1 GLY 4 AC 4 j ? -0.3 SER 11 Y 16 e ? -0.1 +4510 GLU 3 AC 3 j ? GLY 4 AC 4 j ? -0.1 THR 10 Y 15 e ? -0.1 ARG 6 AC 6 j ? -0.8 VAL 12 Y 17 e ? -0.4 +4511 GLY 4 AC 4 j ? SER 2 AC 2 j ? -0.3 GLY 5 AC 5 j ? -0.2 ASP 7 Y 12 e ? -0.2 ILE 8 Y 13 e ? -0.1 +4512 GLY 5 AC 5 j ? ASP 7 Y 12 e ? -0.5 SER 6 Y 11 e ? -0.3 GLY 4 AC 4 j ? -0.2 SER 11 Y 16 e ? -0.2 +4513 ARG 6 AC 6 j ? GLU 3 AC 3 j ? -0.8 ASP 7 Y 12 e ? -0.2 SER 11 Y 16 e ? -0.2 GLY 4 AC 4 j ? -0.1 +4514 ILE 7 AC 7 j ? THR 10 Y 15 e ? -3.1 LEU 9 AC 9 j ? -0.0 GLY 5 AC 5 j ? -0.2 ARG 6 AC 6 j ? -0.1 +4515 PRO 8 AC 8 j ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 12 AC 12 j ? -1.6 ILE 11 AC 11 j ? -0.8 +4516 LEU 9 AC 9 j ? TRP 10 AC 10 j ? -0.2 ILE 11 AC 11 j ? -0.2 ALA 13 AC 13 j ? -2.6 THR 14 AC 14 j ? -0.2 +4517 TRP 10 AC 10 j ? VAL 12 AC 12 j ? -0.2 ILE 11 AC 11 j ? -0.2 THR 14 AC 14 j ? -1.7 LEU 9 AC 9 j ? -0.2 +4518 ILE 11 AC 11 j ? PRO 8 AC 8 j ? -0.8 ALA 13 AC 13 j ? -0.2 VAL 15 AC 15 j ? -2.7 ALA 16 AC 16 j ? -0.2 +4519 VAL 12 AC 12 j ? PRO 8 AC 8 j ? -1.6 ALA 13 AC 13 j ? -0.2 ALA 16 AC 16 j ? -2.8 GLY 17 AC 17 j ? -0.2 +4520 ALA 13 AC 13 j ? LEU 9 AC 9 j ? -2.6 THR 14 AC 14 j ? -0.2 GLY 17 AC 17 j ? -2.4 VAL 12 AC 12 j ? -0.2 +4521 THR 14 AC 14 j ? TRP 10 AC 10 j ? -1.7 ALA 16 AC 16 j ? -0.2 MET 18 AC 18 j ? -2.2 VAL 12 AC 12 j ? -0.2 +4522 VAL 15 AC 15 j ? ILE 11 AC 11 j ? -2.7 GLY 17 AC 17 j ? -0.2 GLY 19 AC 19 j ? -2.1 ALA 13 AC 13 j ? -0.2 +4523 ALA 16 AC 16 j ? VAL 12 AC 12 j ? -2.8 ILE 11 AC 11 j ? -0.2 VAL 20 AC 20 j ? -2.1 THR 14 AC 14 j ? -0.2 +4524 GLY 17 AC 17 j ? ALA 13 AC 13 j ? -2.4 VAL 12 AC 12 j ? -0.2 ILE 21 AC 21 j ? -2.0 VAL 15 AC 15 j ? -0.2 +4525 MET 18 AC 18 j ? THR 14 AC 14 j ? -2.2 GLY 19 AC 19 j ? -0.2 VAL 22 AC 22 j ? -2.3 GLY 17 AC 17 j ? -0.2 +4526 GLY 19 AC 19 j ? VAL 15 AC 15 j ? -2.1 VAL 20 AC 20 j ? -0.2 ILE 23 AC 23 j ? -1.9 MET 18 AC 18 j ? -0.2 +4527 VAL 20 AC 20 j ? ALA 16 AC 16 j ? -2.1 ILE 21 AC 21 j ? -0.2 VAL 24 AC 24 j ? -2.4 GLY 25 AC 25 j ? -0.2 +4528 ILE 21 AC 21 j ? GLY 17 AC 17 j ? -2.0 VAL 22 AC 22 j ? -0.2 GLY 25 AC 25 j ? -2.7 VAL 20 AC 20 j ? -0.2 +4529 VAL 22 AC 22 j ? MET 18 AC 18 j ? -2.3 VAL 24 AC 24 j ? -0.2 LEU 26 AC 26 j ? -1.7 ILE 21 AC 21 j ? -0.2 +4530 ILE 23 AC 23 j ? GLY 19 AC 19 j ? -1.9 GLY 25 AC 25 j ? -0.2 PHE 27 AC 27 j ? -1.4 ILE 21 AC 21 j ? -0.2 +4531 VAL 24 AC 24 j ? VAL 20 AC 20 j ? -2.4 GLY 25 AC 25 j ? -0.2 PHE 28 AC 28 j ? -1.8 PHE 27 AC 27 j ? -0.4 +4532 GLY 25 AC 25 j ? ILE 21 AC 21 j ? -2.7 LEU 26 AC 26 j ? -0.2 TYR 29 AC 29 j ? -2.4 VAL 24 AC 24 j ? -0.2 +4533 LEU 26 AC 26 j ? VAL 22 AC 22 j ? -1.7 PHE 27 AC 27 j ? -0.2 GLY 30 AC 30 j ? -1.9 GLY 25 AC 25 j ? -0.2 +4534 PHE 27 AC 27 j ? ILE 23 AC 23 j ? -1.4 VAL 24 AC 24 j ? -0.4 ALA 31 AC 31 j ? -0.5 LEU 26 AC 26 j ? -0.2 +4535 PHE 28 AC 28 j ? VAL 24 AC 24 j ? -1.8 GLY 30 AC 30 j ? -0.2 ALA 31 AC 31 j ? -1.0 TYR 32 AC 32 j ? -0.4 +4536 TYR 29 AC 29 j ? GLY 25 AC 25 j ? -2.4 GLY 30 AC 30 j ? -0.2 TYR 32 AC 32 j ? -2.0 ALA 33 AC 33 j ? -0.2 +4537 GLY 30 AC 30 j ? LEU 26 AC 26 j ? -1.9 ALA 31 AC 31 j ? -0.3 ALA 33 AC 33 j ? -0.4 TYR 29 AC 29 j ? -0.2 +4538 ALA 31 AC 31 j ? PHE 28 AC 28 j ? -1.0 PHE 27 AC 27 j ? -0.5 GLY 30 AC 30 j ? -0.3 TYR 29 AC 29 j ? -0.2 +4539 TYR 32 AC 32 j ? TYR 29 AC 29 j ? -2.0 PHE 28 AC 28 j ? -0.4 GLY 34 AC 34 j ? -0.3 GLY 30 AC 30 j ? -0.2 +4540 ALA 33 AC 33 j ? GLY 30 AC 30 j ? -0.4 LEU 35 AC 35 j ? -0.3 ILE 29 Z 43 f ? -0.1 TYR 32 AC 32 j ? -0.1 +4541 GLY 34 AC 34 j ? TYR 32 AC 32 j ? -0.3 PHE 28 Z 42 f ? -0.1 SER 37 AC 37 j ? -1.4 LEU 39 AC 39 j ? -0.3 +4542 LEU 35 AC 35 j ? ILE 29 Z 43 f ? -1.7 MET 26 Z 40 f ? -0.3 ALA 33 AC 33 j ? -0.3 GLY 59 X 70 d ? -0.2 +4543 GLY 36 AC 36 j ? GLU 58 X 69 d ? -0.3 SER 295 U 305 a ? -0.2 LEU 35 AC 35 j ? -0.2 VAL 296 U 306 a ? -0.2 +4544 SER 37 AC 37 j ? GLY 34 AC 34 j ? -1.4 LEU 39 AC 39 j ? -0.2 VAL 296 U 306 a ? -0.2 LEU 35 AC 35 j ? -0.1 +4545 SER 38 AC 38 j ? SER 295 U 305 a ? -2.1 LEU 39 AC 39 j ? -0.3 VAL 296 U 306 a ? -0.1 LEU 35 AC 35 j ? -0.1 +4546 LEU 39 AC 39 j ? GLY 34 AC 34 j ? -0.3 SER 295 U 305 a ? -0.1 SER 38 AC 38 j ? -0.3 SER 37 AC 37 j ? -0.2 +4547 LYS 1 AD 10 k ? HIS 56 W 74 c ? -0.2 ? ? ? ? ? ? ? ALA 55 W 73 c ? -0.2 HIS 56 W 74 c ? -0.1 +4548 LEU 2 AD 11 k ? ALA 55 W 73 c ? -0.2 PRO 3 AD 12 k ? -0.1 ALA 7 AD 16 k ? -0.1 PHE 91 W 109 c ? -0.0 +4549 PRO 3 AD 12 k ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 6 AD 15 k ? -1.5 ALA 7 AD 16 k ? -0.4 +4550 GLU 4 AD 13 k ? ALA 5 AD 14 k ? -0.3 TYR 6 AD 15 k ? -0.2 ALA 7 AD 16 k ? -1.4 ILE 8 AD 17 k ? -0.2 +4551 ALA 5 AD 14 k ? VAL 61 AM 61 z ? -0.4 TYR 6 AD 15 k ? -0.3 ILE 8 AD 17 k ? -0.3 GLU 4 AD 13 k ? -0.3 +4552 TYR 6 AD 15 k ? PRO 3 AD 12 k ? -1.5 ALA 7 AD 16 k ? -0.2 PHE 9 AD 18 k ? -2.1 ALA 5 AD 14 k ? -0.3 +4553 ALA 7 AD 16 k ? GLU 4 AD 13 k ? -1.4 PRO 3 AD 12 k ? -0.4 ASP 10 AD 19 k ? -1.2 TYR 6 AD 15 k ? -0.2 +4554 ILE 8 AD 17 k ? ALA 5 AD 14 k ? -0.3 PHE 9 AD 18 k ? -0.2 ALA 7 AD 16 k ? -0.3 LEU 12 AD 21 k ? -0.1 +4555 PHE 9 AD 18 k ? TYR 6 AD 15 k ? -2.1 ASP 10 AD 19 k ? -0.2 VAL 13 AD 22 k ? -2.3 LEU 12 AD 21 k ? -0.9 +4556 ASP 10 AD 19 k ? ALA 7 AD 16 k ? -1.2 PRO 11 AD 20 k ? -0.3 ASP 14 AD 23 k ? -1.8 PHE 9 AD 18 k ? -0.2 +4557 PRO 11 AD 20 k ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 15 AD 24 k ? -0.4 ASP 10 AD 19 k ? -0.3 +4558 LEU 12 AD 21 k ? PHE 9 AD 18 k ? -0.9 ASP 14 AD 23 k ? -0.2 LEU 16 AD 25 k ? -1.3 VAL 15 AD 24 k ? -1.2 +4559 VAL 13 AD 22 k ? PHE 9 AD 18 k ? -2.3 ASP 14 AD 23 k ? -0.3 LEU 16 AD 25 k ? -0.2 ASP 10 AD 19 k ? -0.1 +4560 ASP 14 AD 23 k ? ASP 10 AD 19 k ? -1.8 VAL 15 AD 24 k ? -0.2 VAL 13 AD 22 k ? -0.3 LEU 12 AD 21 k ? -0.2 +4561 VAL 15 AD 24 k ? LEU 12 AD 21 k ? -1.2 PRO 11 AD 20 k ? -0.4 VAL 18 AD 27 k ? -1.3 ILE 19 AD 28 k ? -0.4 +4562 LEU 16 AD 25 k ? LEU 12 AD 21 k ? -1.3 PRO 17 AD 26 k ? -0.2 ILE 19 AD 28 k ? -1.7 ASP 14 AD 23 k ? -0.1 +4563 PRO 17 AD 26 k ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? VAL 21 AD 30 k ? -0.3 LEU 16 AD 25 k ? -0.2 +4564 VAL 18 AD 27 k ? VAL 15 AD 24 k ? -1.3 ILE 19 AD 28 k ? -0.2 VAL 21 AD 30 k ? -1.3 LEU 22 AD 31 k ? -0.9 +4565 ILE 19 AD 28 k ? LEU 16 AD 25 k ? -1.7 VAL 15 AD 24 k ? -0.4 PHE 23 AD 32 k ? -0.9 LEU 22 AD 31 k ? -0.5 +4566 PRO 20 AD 29 k ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 24 AD 33 k ? -0.9 PHE 23 AD 32 k ? -0.6 +4567 VAL 21 AD 30 k ? VAL 18 AD 27 k ? -1.3 PRO 17 AD 26 k ? -0.3 ALA 25 AD 34 k ? -1.6 LEU 24 AD 33 k ? -0.2 +4568 LEU 22 AD 31 k ? VAL 18 AD 27 k ? -0.9 ILE 19 AD 28 k ? -0.5 LEU 26 AD 35 k ? -2.4 VAL 21 AD 30 k ? -0.2 +4569 PHE 23 AD 32 k ? ILE 19 AD 28 k ? -0.9 PRO 20 AD 29 k ? -0.6 ALA 27 AD 36 k ? -1.3 LEU 22 AD 31 k ? -0.2 +4570 LEU 24 AD 33 k ? PRO 20 AD 29 k ? -0.9 VAL 21 AD 30 k ? -0.2 PHE 28 AD 37 k ? -0.7 ALA 27 AD 36 k ? -0.3 +4571 ALA 25 AD 34 k ? VAL 21 AD 30 k ? -1.6 LEU 26 AD 35 k ? -0.2 VAL 29 AD 38 k ? -1.4 PHE 28 AD 37 k ? -0.7 +4572 LEU 26 AD 35 k ? LEU 22 AD 31 k ? -2.4 ALA 27 AD 36 k ? -0.2 TRP 30 AD 39 k ? -2.9 ALA 25 AD 34 k ? -0.2 +4573 ALA 27 AD 36 k ? PHE 23 AD 32 k ? -1.3 LEU 24 AD 33 k ? -0.3 GLN 31 AD 40 k ? -2.4 LEU 26 AD 35 k ? -0.2 +4574 PHE 28 AD 37 k ? LEU 24 AD 33 k ? -0.7 ALA 25 AD 34 k ? -0.7 ALA 32 AD 41 k ? -2.0 ALA 27 AD 36 k ? -0.2 +4575 VAL 29 AD 38 k ? ALA 25 AD 34 k ? -1.4 GLN 31 AD 40 k ? -0.2 ALA 33 AD 42 k ? -1.8 ALA 27 AD 36 k ? -0.2 +4576 TRP 30 AD 39 k ? LEU 26 AD 35 k ? -2.9 GLN 31 AD 40 k ? -0.2 VAL 34 AD 43 k ? -1.1 PHE 28 AD 37 k ? -0.2 +4577 GLN 31 AD 40 k ? ALA 27 AD 36 k ? -2.4 ALA 32 AD 41 k ? -0.2 PHE 36 AD 45 k ? -2.9 ARG 37 AD 46 k ? -0.3 +4578 ALA 32 AD 41 k ? PHE 28 AD 37 k ? -2.0 ALA 33 AD 42 k ? -0.2 GLY 35 AD 44 k ? -1.1 GLN 31 AD 40 k ? -0.2 +4579 ALA 33 AD 42 k ? VAL 29 AD 38 k ? -1.8 VAL 34 AD 43 k ? -0.2 ALA 32 AD 41 k ? -0.2 GLN 31 AD 40 k ? -0.2 +4580 VAL 34 AD 43 k ? TRP 30 AD 39 k ? -1.1 GLN 31 AD 40 k ? -0.2 ARG 37 AD 46 k ? -0.9 ALA 33 AD 42 k ? -0.2 +4581 GLY 35 AD 44 k ? ALA 32 AD 41 k ? -1.1 PHE 36 AD 45 k ? -0.2 ALA 32 AD 41 k ? -0.2 GLN 31 AD 40 k ? -0.1 +4582 PHE 36 AD 45 k ? GLN 31 AD 40 k ? -2.9 TRP 30 AD 39 k ? -0.2 TRP 17 W 35 c ? -0.4 GLY 35 AD 44 k ? -0.2 +4583 ARG 37 AD 46 k ? VAL 34 AD 43 k ? -0.9 GLN 31 AD 40 k ? -0.3 PHE 36 AD 45 k ? -0.1 VAL 34 AD 43 k ? -0.1 +4584 GLU 1 AE 2 l ? PRO 2 AE 3 l ? -0.2 TYR 116 V 117 b ? -0.1 ASN 3 AE 4 l ? -0.4 TRP 117 V 118 b ? -0.1 +4585 PRO 2 AE 3 l ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 1 AE 2 l ? -0.2 ? ? ? ? ? ? ? +4586 ASN 3 AE 4 l ? GLU 1 AE 2 l ? -0.4 PRO 4 AE 5 l ? -0.1 ARG 6 AE 7 l ? -1.0 ? ? ? ? ? ? ? +4587 PRO 4 AE 5 l ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASN 3 AE 4 l ? -0.1 ? ? ? ? ? ? ? +4588 ASN 5 AE 6 l ? VAL 10 V 11 b ? -0.1 GLN 7 AE 8 l ? -0.0 ASN 13 V 14 b ? -0.1 ASP 14 V 15 b ? -0.0 +4589 ARG 6 AE 7 l ? ASN 3 AE 4 l ? -1.0 GLN 7 AE 8 l ? -0.0 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +4590 GLN 7 AE 8 l ? VAL 7 V 8 b ? -0.1 LEU 2 V 3 b ? -0.0 VAL 9 AE 10 l ? -0.1 GLY 1 V 2 b ? -0.1 +4591 PRO 8 AE 9 l ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 2 V 3 b ? -2.8 GLU 10 AE 11 l ? -0.3 +4592 VAL 9 AE 10 l ? GLY 1 V 2 b ? -0.3 GLN 7 AE 8 l ? -0.1 LEU 11 AE 12 l ? -0.3 TRP 4 V 5 b ? -0.0 +4593 GLU 10 AE 11 l ? LEU 2 V 3 b ? -2.5 PRO 8 AE 9 l ? -0.3 TRP 4 V 5 b ? -0.4 ASN 12 AE 13 l ? -0.3 +4594 LEU 11 AE 12 l ? LEU 25 AF 25 m ? -0.4 VAL 9 AE 10 l ? -0.3 THR 29 AF 29 m ? -0.2 GLU 30 AF 30 m ? -0.2 +4595 ASN 12 AE 13 l ? GLU 10 AE 11 l ? -0.3 ARG 13 AE 14 l ? -0.1 LEU 16 AE 17 l ? -1.8 TYR 17 AE 18 l ? -0.1 +4596 ARG 13 AE 14 l ? THR 14 AE 15 l ? -0.2 SER 15 AE 16 l ? -0.2 TYR 17 AE 18 l ? -2.3 LEU 18 AE 19 l ? -0.1 +4597 THR 14 AE 15 l ? SER 15 AE 16 l ? -0.2 LEU 16 AE 17 l ? -0.2 LEU 18 AE 19 l ? -3.0 ARG 13 AE 14 l ? -0.2 +4598 SER 15 AE 16 l ? LEU 16 AE 17 l ? -0.2 TYR 17 AE 18 l ? -0.2 GLY 19 AE 20 l ? -2.7 ARG 13 AE 14 l ? -0.2 +4599 LEU 16 AE 17 l ? ASN 12 AE 13 l ? -1.8 LEU 18 AE 19 l ? -0.2 LEU 20 AE 21 l ? -3.3 LEU 21 AE 22 l ? -0.2 +4600 TYR 17 AE 18 l ? ARG 13 AE 14 l ? -2.3 GLY 19 AE 20 l ? -0.2 LEU 21 AE 22 l ? -2.4 SER 15 AE 16 l ? -0.2 +4601 LEU 18 AE 19 l ? THR 14 AE 15 l ? -3.0 LEU 20 AE 21 l ? -0.2 LEU 22 AE 23 l ? -2.3 TYR 17 AE 18 l ? -0.2 +4602 GLY 19 AE 20 l ? SER 15 AE 16 l ? -2.7 LEU 21 AE 22 l ? -0.2 ILE 23 AE 24 l ? -2.5 TYR 17 AE 18 l ? -0.2 +4603 LEU 20 AE 21 l ? LEU 16 AE 17 l ? -3.3 LEU 21 AE 22 l ? -0.2 LEU 24 AE 25 l ? -2.8 VAL 25 AE 26 l ? -0.2 +4604 LEU 21 AE 22 l ? TYR 17 AE 18 l ? -2.4 LEU 16 AE 17 l ? -0.2 VAL 25 AE 26 l ? -2.8 LEU 26 AE 27 l ? -0.2 +4605 LEU 22 AE 23 l ? LEU 18 AE 19 l ? -2.3 LEU 24 AE 25 l ? -0.2 LEU 26 AE 27 l ? -2.9 ALA 27 AE 28 l ? -0.2 +4606 ILE 23 AE 24 l ? GLY 19 AE 20 l ? -2.5 VAL 25 AE 26 l ? -0.2 ALA 27 AE 28 l ? -2.7 LEU 28 AE 29 l ? -0.2 +4607 LEU 24 AE 25 l ? LEU 20 AE 21 l ? -2.8 VAL 25 AE 26 l ? -0.2 LEU 28 AE 29 l ? -1.9 ILE 23 AE 24 l ? -0.2 +4608 VAL 25 AE 26 l ? LEU 21 AE 22 l ? -2.8 LEU 20 AE 21 l ? -0.2 LEU 29 AE 30 l ? -2.3 LEU 24 AE 25 l ? -0.2 +4609 LEU 26 AE 27 l ? LEU 22 AE 23 l ? -2.9 LEU 21 AE 22 l ? -0.2 PHE 30 AE 31 l ? -2.5 SER 31 AE 32 l ? -0.2 +4610 ALA 27 AE 28 l ? ILE 23 AE 24 l ? -2.7 LEU 22 AE 23 l ? -0.2 SER 31 AE 32 l ? -1.8 LEU 26 AE 27 l ? -0.2 +4611 LEU 28 AE 29 l ? LEU 24 AE 25 l ? -1.9 ILE 23 AE 24 l ? -0.2 SER 32 AE 33 l ? -0.5 ALA 27 AE 28 l ? -0.2 +4612 LEU 29 AE 30 l ? VAL 25 AE 26 l ? -2.3 LEU 24 AE 25 l ? -0.2 TYR 33 AE 34 l ? -0.3 ALA 27 AE 28 l ? -0.2 +4613 PHE 30 AE 31 l ? LEU 26 AE 27 l ? -2.5 SER 31 AE 32 l ? -0.2 PHE 34 AE 35 l ? -1.9 TYR 33 AE 34 l ? -0.7 +4614 SER 31 AE 32 l ? ALA 27 AE 28 l ? -1.8 SER 32 AE 33 l ? -0.3 PHE 35 AE 36 l ? -2.2 ASN 36 AE 37 l ? -0.3 +4615 SER 32 AE 33 l ? LEU 28 AE 29 l ? -0.5 TYR 33 AE 34 l ? -0.2 ASN 36 AE 37 l ? -1.7 SER 31 AE 32 l ? -0.3 +4616 TYR 33 AE 34 l ? PHE 30 AE 31 l ? -0.7 LEU 29 AE 30 l ? -0.3 SER 32 AE 33 l ? -0.2 SER 31 AE 32 l ? -0.2 +4617 PHE 34 AE 35 l ? PHE 30 AE 31 l ? -1.9 PHE 35 AE 36 l ? -0.2 SER 32 AE 33 l ? -0.2 GLY 7 AF 7 m ? -0.2 +4618 PHE 35 AE 36 l ? SER 31 AE 32 l ? -2.2 GLY 7 AF 7 m ? -0.2 ASN 4 AF 4 m ? -2.8 PHE 34 AE 35 l ? -0.2 +4619 ASN 36 AE 37 l ? SER 32 AE 33 l ? -1.7 SER 31 AE 32 l ? -0.3 SER 289 X 300 d ? -2.7 TYR 33 AE 34 l ? -0.2 +4620 FME 1 AF 1 m ? GLU 2 AF 2 m ? -0.1 ILE 292 X 303 d ? -0.0 VAL 3 AF 3 m ? -1.8 SER 289 X 300 d ? -0.1 +4621 GLU 2 AF 2 m ? SER 289 X 300 d ? -0.4 ILE 288 X 299 d ? -0.1 ILE 292 X 303 d ? -0.1 ASN 4 AF 4 m ? -0.1 +4622 VAL 3 AF 3 m ? FME 1 AF 1 m ? -1.8 ASN 4 AF 4 m ? -0.1 GLN 5 AF 5 m ? -0.5 ASN 36 AE 37 l ? -0.2 +4623 ASN 4 AF 4 m ? PHE 35 AE 36 l ? -2.8 GLN 5 AF 5 m ? -0.1 GLY 7 AF 7 m ? -1.1 LEU 8 AF 8 m ? -0.3 +4624 GLN 5 AF 5 m ? VAL 3 AF 3 m ? -0.5 LEU 6 AF 6 m ? -0.3 LEU 8 AF 8 m ? -1.6 ILE 9 AF 9 m ? -0.6 +4625 LEU 6 AF 6 m ? GLY 7 AF 7 m ? -0.3 LEU 8 AF 8 m ? -0.2 ALA 10 AF 10 m ? -2.7 GLN 5 AF 5 m ? -0.3 +4626 GLY 7 AF 7 m ? ASN 4 AF 4 m ? -1.1 PHE 34 AE 35 l ? -0.2 THR 11 AF 11 m ? -2.3 LEU 6 AF 6 m ? -0.3 +4627 LEU 8 AF 8 m ? GLN 5 AF 5 m ? -1.6 ASN 4 AF 4 m ? -0.3 ALA 12 AF 12 m ? -2.5 GLY 7 AF 7 m ? -0.2 +4628 ILE 9 AF 9 m ? GLN 5 AF 5 m ? -0.6 THR 11 AF 11 m ? -0.2 LEU 13 AF 13 m ? -2.7 PHE 14 AF 14 m ? -0.3 +4629 ALA 10 AF 10 m ? LEU 6 AF 6 m ? -2.7 THR 11 AF 11 m ? -0.2 PHE 14 AF 14 m ? -2.2 LEU 8 AF 8 m ? -0.2 +4630 THR 11 AF 11 m ? GLY 7 AF 7 m ? -2.3 LEU 6 AF 6 m ? -0.2 VAL 15 AF 15 m ? -2.2 ILE 9 AF 9 m ? -0.2 +4631 ALA 12 AF 12 m ? LEU 8 AF 8 m ? -2.5 PHE 14 AF 14 m ? -0.2 LEU 16 AF 16 m ? -3.1 ALA 10 AF 10 m ? -0.2 +4632 LEU 13 AF 13 m ? ILE 9 AF 9 m ? -2.7 VAL 15 AF 15 m ? -0.2 VAL 17 AF 17 m ? -2.6 ALA 12 AF 12 m ? -0.2 +4633 PHE 14 AF 14 m ? ALA 10 AF 10 m ? -2.2 ILE 9 AF 9 m ? -0.3 ALA 12 AF 12 m ? -0.2 LEU 13 AF 13 m ? -0.2 +4634 VAL 15 AF 15 m ? THR 11 AF 11 m ? -2.2 ALA 10 AF 10 m ? -0.1 SER 19 AF 19 m ? -1.8 LEU 13 AF 13 m ? -0.2 +4635 LEU 16 AF 16 m ? ALA 12 AF 12 m ? -3.1 THR 11 AF 11 m ? -0.2 VAL 20 AF 20 m ? -2.8 PHE 21 AF 21 m ? -0.3 +4636 VAL 17 AF 17 m ? LEU 13 AF 13 m ? -2.6 PRO 18 AF 18 m ? -0.2 PHE 21 AF 21 m ? -1.8 LEU 16 AF 16 m ? -0.2 +4637 PRO 18 AF 18 m ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 22 AF 22 m ? -2.1 VAL 17 AF 17 m ? -0.2 +4638 SER 19 AF 19 m ? VAL 15 AF 15 m ? -1.8 VAL 20 AF 20 m ? -0.2 ILE 23 AF 23 m ? -2.0 VAL 17 AF 17 m ? -0.2 +4639 VAL 20 AF 20 m ? LEU 16 AF 16 m ? -2.8 PHE 21 AF 21 m ? -0.2 ILE 24 AF 24 m ? -2.7 SER 19 AF 19 m ? -0.2 +4640 PHE 21 AF 21 m ? VAL 17 AF 17 m ? -1.8 LEU 16 AF 16 m ? -0.3 LEU 25 AF 25 m ? -2.1 VAL 20 AF 20 m ? -0.2 +4641 LEU 22 AF 22 m ? PRO 18 AF 18 m ? -2.1 ILE 23 AF 23 m ? -0.2 TYR 26 AF 26 m ? -2.6 VAL 20 AF 20 m ? -0.2 +4642 ILE 23 AF 23 m ? SER 19 AF 19 m ? -2.0 LEU 25 AF 25 m ? -0.2 VAL 27 AF 27 m ? -2.8 GLN 28 AF 28 m ? -0.3 +4643 ILE 24 AF 24 m ? VAL 20 AF 20 m ? -2.7 LEU 25 AF 25 m ? -0.2 GLN 28 AF 28 m ? -2.2 THR 29 AF 29 m ? -0.2 +4644 LEU 25 AF 25 m ? PHE 21 AF 21 m ? -2.1 TYR 26 AF 26 m ? -0.2 THR 29 AF 29 m ? -1.1 LEU 11 AE 12 l ? -0.4 +4645 TYR 26 AF 26 m ? LEU 22 AF 22 m ? -2.6 GLN 28 AF 28 m ? -0.2 GLU 30 AF 30 m ? -2.1 THR 29 AF 29 m ? -0.6 +4646 VAL 27 AF 27 m ? ILE 23 AF 23 m ? -2.8 GLN 28 AF 28 m ? -0.3 SER 31 AF 31 m ? -1.9 LEU 25 AF 25 m ? -0.2 +4647 GLN 28 AF 28 m ? ILE 24 AF 24 m ? -2.2 ILE 23 AF 23 m ? -0.3 GLN 32 AF 32 m ? -0.3 VAL 27 AF 27 m ? -0.3 +4648 THR 29 AF 29 m ? LEU 25 AF 25 m ? -1.1 TYR 26 AF 26 m ? -0.6 GLN 32 AF 32 m ? -1.2 VAL 27 AF 27 m ? -0.2 +4649 GLU 30 AF 30 m ? TYR 26 AF 26 m ? -2.1 SER 31 AF 31 m ? -0.2 GLN 28 AF 28 m ? -0.2 VAL 27 AF 27 m ? -0.1 +4650 SER 31 AF 31 m ? VAL 27 AF 27 m ? -1.9 TYR 26 AF 26 m ? -0.2 GLN 33 L 33 M ? -0.3 GLU 30 AF 30 m ? -0.2 +4651 GLN 32 AF 32 m ? THR 29 AF 29 m ? -1.2 GLN 28 AF 28 m ? -0.3 GLN 32 L 32 M ? -0.2 LYS 34 AF 34 m ? -0.1 +4652 GLN 33 AF 33 m ? SER 31 L 31 M ? -0.4 SER 31 AF 31 m ? -0.1 GLN 32 AF 32 m ? -0.1 SER 31 AF 31 m ? -0.1 +4653 LYS 34 AF 34 m ? GLN 32 AF 32 m ? -0.1 GLU 30 AF 30 m ? -0.1 GLN 32 AF 32 m ? -0.1 ? ? ? ? ? ? ? +4654 THR 1 AG 4 o ? THR 3 AG 6 o ? -0.0 PRO 354 W 372 c ? -0.0 THR 3 AG 6 o ? -0.2 ? ? ? ? ? ? ? +4655 LEU 2 AG 5 o ? TYR 4 AG 7 o ? -0.0 ASP 5 AG 8 o ? -0.0 TYR 4 AG 7 o ? -0.2 ASP 5 AG 8 o ? -0.0 +4656 THR 3 AG 6 o ? THR 1 AG 4 o ? -0.2 PRO 354 W 372 c ? -0.1 ILE 7 AG 10 o ? -1.6 ASP 6 AG 9 o ? -0.8 +4657 TYR 4 AG 7 o ? ASP 5 AG 8 o ? -0.3 LEU 2 AG 5 o ? -0.2 VAL 8 AG 11 o ? -3.1 ALA 13 AG 16 o ? -0.1 +4658 ASP 5 AG 8 o ? ASP 6 AG 9 o ? -0.2 ILE 7 AG 10 o ? -0.2 TYR 4 AG 7 o ? -0.3 LEU 2 AG 5 o ? -0.0 +4659 ASP 6 AG 9 o ? THR 3 AG 6 o ? -0.8 ILE 7 AG 10 o ? -0.1 ASP 5 AG 8 o ? -0.2 TYR 4 AG 7 o ? -0.2 +4660 ILE 7 AG 10 o ? THR 3 AG 6 o ? -1.6 PRO 354 W 372 c ? -0.1 THR 10 AG 13 o ? -2.3 GLY 11 AG 14 o ? -0.5 +4661 VAL 8 AG 11 o ? TYR 4 AG 7 o ? -3.1 GLY 9 AG 12 o ? -0.3 GLY 329 W 347 c ? -0.0 ASN 355 W 373 c ? -0.0 +4662 GLY 9 AG 12 o ? THR 10 AG 13 o ? -0.1 GLY 11 AG 14 o ? -0.0 VAL 8 AG 11 o ? -0.3 ILE 7 AG 10 o ? -0.1 +4663 THR 10 AG 13 o ? ILE 7 AG 10 o ? -2.3 GLY 11 AG 14 o ? -0.0 VAL 8 AG 11 o ? -0.1 GLY 329 W 347 c ? -0.1 +4664 GLY 11 AG 14 o ? ILE 7 AG 10 o ? -0.5 THR 328 W 346 c ? -0.4 ASN 14 AG 17 o ? -1.2 VAL 8 AG 11 o ? -0.1 +4665 LEU 12 AG 15 o ? ILE 7 AG 10 o ? -0.4 ALA 13 AG 16 o ? -0.2 LYS 15 AG 18 o ? -2.2 GLY 329 W 347 c ? -0.1 +4666 ALA 13 AG 16 o ? THR 328 W 346 c ? -0.5 ILE 7 AG 10 o ? -0.4 LEU 12 AG 15 o ? -0.2 GLY 329 W 347 c ? -0.2 +4667 ASN 14 AG 17 o ? GLY 11 AG 14 o ? -1.2 THR 328 W 346 c ? -0.5 CYS 16 AG 19 o ? -0.4 ALA 13 AG 16 o ? -0.3 +4668 LYS 15 AG 18 o ? LEU 12 AG 15 o ? -2.2 SER 74 AG 77 o ? -0.1 THR 18 AG 21 o ? -0.1 GLY 11 AG 14 o ? -0.0 +4669 CYS 16 AG 19 o ? ASN 14 AG 17 o ? -0.4 PRO 17 AG 20 o ? -0.1 ASN 14 AG 17 o ? -0.1 ASP 76 AG 79 o ? -0.0 +4670 PRO 17 AG 20 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 19 AG 22 o ? -0.3 CYS 16 AG 19 o ? -0.1 +4671 THR 18 AG 21 o ? LYS 15 AG 18 o ? -0.1 ALA 209 AG 212 o ? -0.1 ASP 20 AG 23 o ? -0.3 TYR 237 AG 240 o ? -0.1 +4672 LEU 19 AG 22 o ? PRO 17 AG 20 o ? -0.3 ASP 20 AG 23 o ? -0.1 ILE 208 AG 211 o ? -0.0 ASP 21 AG 24 o ? -0.0 +4673 ASP 20 AG 23 o ? THR 18 AG 21 o ? -0.3 ASP 21 AG 24 o ? -0.1 ALA 23 AG 26 o ? -0.8 LEU 19 AG 22 o ? -0.1 +4674 ASP 21 AG 24 o ? THR 22 AG 25 o ? -0.2 LYS 200 AG 203 o ? -0.1 ASP 20 AG 23 o ? -0.1 LEU 19 AG 22 o ? -0.0 +4675 THR 22 AG 25 o ? ALA 23 AG 26 o ? -0.1 ARG 24 AG 27 o ? -0.1 ARG 24 AG 27 o ? -1.9 ASP 21 AG 24 o ? -0.2 +4676 ALA 23 AG 26 o ? ASP 20 AG 23 o ? -0.8 ARG 24 AG 27 o ? -0.2 VAL 201 AG 204 o ? -0.9 THR 22 AG 25 o ? -0.1 +4677 ARG 24 AG 27 o ? THR 22 AG 25 o ? -1.9 LYS 200 AG 203 o ? -0.2 THR 135 AG 138 o ? -0.3 ALA 23 AG 26 o ? -0.2 +4678 GLY 25 AG 28 o ? VAL 201 AG 204 o ? -1.5 THR 22 AG 25 o ? -0.1 TYR 27 AG 30 o ? -0.3 THR 135 AG 138 o ? -0.3 +4679 ALA 26 AG 29 o ? THR 134 AG 137 o ? -0.1 THR 135 AG 138 o ? -0.1 THR 134 AG 137 o ? -0.2 GLY 25 AG 28 o ? -0.1 +4680 TYR 27 AG 30 o ? ILE 133 AG 136 o ? -2.4 GLY 25 AG 28 o ? -0.3 ILE 133 AG 136 o ? -2.5 ARG 204 AG 207 o ? -0.1 +4681 PRO 28 AG 31 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 30 AG 33 o ? -0.6 SER 132 AG 135 o ? -0.3 +4682 ILE 29 AG 32 o ? THR 131 AG 134 o ? -2.9 VAL 130 AG 133 o ? -0.1 SER 31 AG 34 o ? -0.7 SER 32 AG 35 o ? -0.0 +4683 ASP 30 AG 33 o ? PRO 28 AG 31 o ? -0.6 SER 31 AG 34 o ? -0.1 GLN 33 AG 36 o ? -2.6 VAL 84 AG 87 o ? -0.1 +4684 SER 31 AG 34 o ? ILE 29 AG 32 o ? -0.7 SER 32 AG 35 o ? -0.3 VAL 84 AG 87 o ? -0.1 ASP 30 AG 33 o ? -0.1 +4685 SER 32 AG 35 o ? THR 34 AG 37 o ? -0.0 ILE 29 AG 32 o ? -0.0 SER 31 AG 34 o ? -0.3 THR 34 AG 37 o ? -0.3 +4686 GLN 33 AG 36 o ? ASP 30 AG 33 o ? -2.6 PRO 242 AG 245 o ? -0.0 TYR 35 AG 38 o ? -0.5 VAL 84 AG 87 o ? -0.2 +4687 THR 34 AG 37 o ? SER 32 AG 35 o ? -0.3 ALA 243 AG 246 o ? -0.3 ALA 243 AG 246 o ? -3.2 ARG 36 AG 39 o ? -0.3 +4688 TYR 35 AG 38 o ? LEU 82 AG 85 o ? -1.2 GLN 33 AG 36 o ? -0.5 LEU 82 AG 85 o ? -2.8 ILE 37 AG 40 o ? -0.4 +4689 ARG 36 AG 39 o ? GLU 241 AG 244 o ? -2.7 THR 34 AG 37 o ? -0.3 GLU 241 AG 244 o ? -2.4 ALA 38 AG 41 o ? -0.9 +4690 ILE 37 AG 40 o ? GLY 80 AG 83 o ? -2.6 TYR 35 AG 38 o ? -0.4 GLY 80 AG 83 o ? -1.6 ILE 240 AG 243 o ? -0.2 +4691 ALA 38 AG 41 o ? SER 239 AG 242 o ? -2.1 ARG 36 AG 39 o ? -0.9 LEU 40 AG 43 o ? -0.3 ILE 37 AG 40 o ? -0.2 +4692 ARG 39 AG 42 o ? SER 239 AG 242 o ? -1.0 ARG 36 AG 39 o ? -0.1 SER 239 AG 242 o ? -1.9 CYS 41 AG 44 o ? -0.4 +4693 LEU 40 AG 43 o ? ILE 78 AG 81 o ? -1.7 ALA 38 AG 41 o ? -0.3 ILE 78 AG 81 o ? -1.7 LEU 42 AG 45 o ? -0.4 +4694 CYS 41 AG 44 o ? TYR 237 AG 240 o ? -3.1 ARG 39 AG 42 o ? -0.4 TYR 237 AG 240 o ? -2.1 GLN 43 AG 46 o ? -0.4 +4695 LEU 42 AG 45 o ? LEU 75 AG 78 o ? -2.6 LEU 40 AG 43 o ? -0.4 LEU 75 AG 78 o ? -2.4 PHE 236 AG 239 o ? -0.2 +4696 GLN 43 AG 46 o ? VAL 235 AG 238 o ? -3.0 CYS 41 AG 44 o ? -0.4 VAL 235 AG 238 o ? -2.0 SER 74 AG 77 o ? -0.1 +4697 PRO 44 AG 47 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 234 AG 237 o ? -0.3 PHE 47 AG 50 o ? -0.1 +4698 THR 45 AG 48 o ? GLN 233 AG 236 o ? -3.2 THR 46 AG 49 o ? -0.4 PHE 47 AG 50 o ? -0.3 GLY 234 AG 237 o ? -0.2 +4699 THR 46 AG 49 o ? GLN 233 AG 236 o ? -2.0 LEU 48 AG 51 o ? -0.0 GLN 233 AG 236 o ? -2.1 LEU 48 AG 51 o ? -0.5 +4700 PHE 47 AG 50 o ? THR 45 AG 48 o ? -0.3 THR 65 AG 68 o ? -0.3 THR 65 AG 68 o ? -1.0 VAL 49 AG 52 o ? -0.4 +4701 LEU 48 AG 51 o ? LYS 231 AG 234 o ? -2.9 THR 46 AG 49 o ? -0.5 LYS 231 AG 234 o ? -3.0 LYS 50 AG 53 o ? -0.4 +4702 VAL 49 AG 52 o ? VAL 63 AG 66 o ? -2.0 PHE 47 AG 50 o ? -0.4 VAL 63 AG 66 o ? -3.1 GLU 51 AG 54 o ? -0.4 +4703 LYS 50 AG 53 o ? GLU 229 AG 232 o ? -2.1 LEU 48 AG 51 o ? -0.4 GLU 229 AG 232 o ? -0.4 GLU 52 AG 55 o ? -0.3 +4704 GLU 51 AG 54 o ? GLU 61 AG 64 o ? -2.8 VAL 49 AG 52 o ? -0.4 GLU 61 AG 64 o ? -0.4 HIS 228 AG 231 o ? -0.0 +4705 GLU 52 AG 55 o ? LYS 50 AG 53 o ? -0.3 ALA 60 AG 63 o ? -0.1 GLU 59 AG 62 o ? -0.1 LYS 54 AG 57 o ? -0.1 +4706 PRO 53 AG 56 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 60 AG 63 o ? -0.1 GLU 52 AG 55 o ? -0.0 +4707 LYS 54 AG 57 o ? ASN 55 AG 58 o ? -0.2 GLN 337 B 338 B ? -0.1 ALA 338 B 339 B ? -0.1 GLN 337 B 338 B ? -0.0 +4708 ASN 55 AG 58 o ? LYS 56 AG 59 o ? -0.1 GLU 52 AG 55 o ? -0.0 ARG 57 AG 60 o ? -0.9 LYS 54 AG 57 o ? -0.2 +4709 LYS 56 AG 59 o ? ARG 57 AG 60 o ? -0.1 GLN 58 AG 61 o ? -0.1 ALA 60 AG 63 o ? -0.1 ASN 55 AG 58 o ? -0.1 +4710 ARG 57 AG 60 o ? ASN 55 AG 58 o ? -0.9 GLU 59 AG 62 o ? -0.1 GLU 59 AG 62 o ? -0.3 LYS 56 AG 59 o ? -0.1 +4711 GLN 58 AG 61 o ? GLU 59 AG 62 o ? -0.1 ? ? ? ? ? ? ? ALA 60 AG 63 o ? -0.2 LYS 56 AG 59 o ? -0.1 +4712 GLU 59 AG 62 o ? ARG 57 AG 60 o ? -0.3 ALA 60 AG 63 o ? -0.1 GLU 61 AG 64 o ? -0.1 ARG 57 AG 60 o ? -0.1 +4713 ALA 60 AG 63 o ? GLN 58 AG 61 o ? -0.2 LYS 56 AG 59 o ? -0.1 PHE 62 AG 65 o ? -0.3 GLU 52 AG 55 o ? -0.1 +4714 GLU 61 AG 64 o ? GLU 51 AG 54 o ? -0.4 GLU 59 AG 62 o ? -0.1 GLU 51 AG 54 o ? -2.8 VAL 63 AG 66 o ? -0.5 +4715 PHE 62 AG 65 o ? ALA 60 AG 63 o ? -0.3 LYS 50 AG 53 o ? -0.3 LYS 50 AG 53 o ? -0.3 VAL 230 AG 233 o ? -0.1 +4716 VAL 63 AG 66 o ? VAL 49 AG 52 o ? -3.1 GLU 61 AG 64 o ? -0.5 VAL 49 AG 52 o ? -2.0 THR 65 AG 68 o ? -0.1 +4717 PRO 64 AG 67 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 108 AG 111 o ? -0.3 LYS 66 AG 69 o ? -0.3 +4718 THR 65 AG 68 o ? PHE 47 AG 50 o ? -1.0 MET 107 AG 110 o ? -0.1 LEU 67 AG 70 o ? -0.4 PHE 47 AG 50 o ? -0.3 +4719 LYS 66 AG 69 o ? GLN 106 AG 109 o ? -2.7 PRO 64 AG 67 o ? -0.3 GLN 106 AG 109 o ? -2.8 VAL 68 AG 71 o ? -0.5 +4720 LEU 67 AG 70 o ? THR 65 AG 68 o ? -0.4 VAL 105 AG 108 o ? -0.2 VAL 105 AG 108 o ? -0.2 GLU 94 U 104 a ? -0.2 +4721 VAL 68 AG 71 o ? THR 104 AG 107 o ? -2.2 LYS 66 AG 69 o ? -0.5 ASN 98 U 108 a ? -0.2 VAL 105 AG 108 o ? -0.1 +4722 THR 69 AG 72 o ? THR 104 AG 107 o ? -0.7 ARG 70 AG 73 o ? -0.2 VAL 68 AG 71 o ? -0.1 VAL 105 AG 108 o ? -0.1 +4723 ARG 70 AG 73 o ? GLU 71 AG 74 o ? -0.2 LEU 67 AG 70 o ? -0.2 THR 72 AG 75 o ? -2.3 THR 69 AG 72 o ? -0.2 +4724 GLU 71 AG 74 o ? PRO 327 W 345 c ? -1.4 THR 72 AG 75 o ? -0.2 ARG 70 AG 73 o ? -0.2 SER 326 W 344 c ? -0.1 +4725 THR 72 AG 75 o ? ARG 70 AG 73 o ? -2.3 THR 328 W 346 c ? -0.1 GLU 71 AG 74 o ? -0.2 ARG 325 W 343 c ? -0.2 +4726 THR 73 AG 76 o ? ARG 70 AG 73 o ? -0.2 PRO 44 AG 47 o ? -0.1 LEU 75 AG 78 o ? -0.1 GLN 101 AG 104 o ? -0.1 +4727 SER 74 AG 77 o ? GLN 43 AG 46 o ? -0.1 ASN 14 AG 17 o ? -0.1 ASP 76 AG 79 o ? -0.3 GLN 43 AG 46 o ? -0.2 +4728 LEU 75 AG 78 o ? LEU 42 AG 45 o ? -2.4 THR 73 AG 76 o ? -0.1 LEU 42 AG 45 o ? -2.6 GLN 77 AG 80 o ? -0.3 +4729 ASP 76 AG 79 o ? ILE 98 AG 101 o ? -1.5 SER 74 AG 77 o ? -0.3 ILE 98 AG 101 o ? -2.1 CYS 41 AG 44 o ? -0.2 +4730 GLN 77 AG 80 o ? LEU 75 AG 78 o ? -0.3 ILE 78 AG 81 o ? -0.3 GLN 79 AG 82 o ? -0.3 CYS 41 AG 44 o ? -0.1 +4731 ILE 78 AG 81 o ? LEU 40 AG 43 o ? -1.7 GLY 97 AG 100 o ? -0.2 LEU 40 AG 43 o ? -1.7 GLY 80 AG 83 o ? -0.3 +4732 GLN 79 AG 82 o ? ASP 96 AG 99 o ? -2.6 GLN 77 AG 80 o ? -0.3 GLU 95 AG 98 o ? -2.4 ASP 96 AG 99 o ? -1.7 +4733 GLY 80 AG 83 o ? ILE 37 AG 40 o ? -1.6 ILE 78 AG 81 o ? -0.3 ILE 37 AG 40 o ? -2.6 GLU 94 AG 97 o ? -0.2 +4734 GLU 81 AG 84 o ? VAL 93 AG 96 o ? -0.9 GLN 79 AG 82 o ? -0.3 VAL 93 AG 96 o ? -2.5 LYS 83 AG 86 o ? -0.6 +4735 LEU 82 AG 85 o ? TYR 35 AG 38 o ? -2.8 PHE 92 AG 95 o ? -0.2 TYR 35 AG 38 o ? -1.2 PHE 92 AG 95 o ? -0.2 +4736 LYS 83 AG 86 o ? THR 91 AG 94 o ? -2.8 GLU 81 AG 84 o ? -0.6 THR 91 AG 94 o ? -2.4 ASN 85 AG 88 o ? -0.5 +4737 VAL 84 AG 87 o ? LEU 82 AG 85 o ? -0.2 LEU 90 AG 93 o ? -0.2 LEU 90 AG 93 o ? -0.2 SER 86 AG 89 o ? -0.1 +4738 ASN 85 AG 88 o ? SER 89 AG 92 o ? -2.9 LYS 83 AG 86 o ? -0.5 GLY 88 AG 91 o ? -1.6 SER 31 AG 34 o ? -0.0 +4739 SER 86 AG 89 o ? ASP 87 AG 90 o ? -0.3 GLY 88 AG 91 o ? -0.1 ASN 85 AG 88 o ? -0.1 VAL 84 AG 87 o ? -0.0 +4740 ASP 87 AG 90 o ? GLY 88 AG 91 o ? -0.1 SER 89 AG 92 o ? -0.0 ASN 129 AG 132 o ? -2.8 SER 86 AG 89 o ? -0.3 +4741 GLY 88 AG 91 o ? ASN 85 AG 88 o ? -1.6 SER 89 AG 92 o ? -0.3 VAL 130 AG 133 o ? -2.0 SER 86 AG 89 o ? -0.1 +4742 SER 89 AG 92 o ? ASN 129 AG 132 o ? -0.2 THR 126 AG 129 o ? -0.1 ASN 85 AG 88 o ? -2.9 THR 91 AG 94 o ? -0.4 +4743 LEU 90 AG 93 o ? GLN 127 AG 130 o ? -0.4 VAL 84 AG 87 o ? -0.2 THR 126 AG 129 o ? -2.0 PHE 92 AG 95 o ? -0.4 +4744 THR 91 AG 94 o ? LYS 83 AG 86 o ? -2.4 SER 89 AG 92 o ? -0.4 LYS 83 AG 86 o ? -2.8 VAL 93 AG 96 o ? -0.5 +4745 PHE 92 AG 95 o ? ALA 124 AG 127 o ? -3.5 LEU 90 AG 93 o ? -0.4 ALA 124 AG 127 o ? -2.2 GLU 94 AG 97 o ? -0.6 +4746 VAL 93 AG 96 o ? GLU 81 AG 84 o ? -2.5 THR 91 AG 94 o ? -0.5 GLU 81 AG 84 o ? -0.9 VAL 123 AG 126 o ? -0.2 +4747 GLU 94 AG 97 o ? LEU 122 AG 125 o ? -2.6 PHE 92 AG 95 o ? -0.6 GLY 80 AG 83 o ? -0.3 GLY 97 AG 100 o ? -0.1 +4748 GLU 95 AG 98 o ? GLN 79 AG 82 o ? -2.4 ASP 96 AG 99 o ? -0.4 GLY 97 AG 100 o ? -0.3 GLY 80 AG 83 o ? -0.2 +4749 ASP 96 AG 99 o ? GLN 79 AG 82 o ? -1.7 GLN 77 AG 80 o ? -0.1 GLN 79 AG 82 o ? -2.6 GLU 95 AG 98 o ? -0.4 +4750 GLY 97 AG 100 o ? GLU 95 AG 98 o ? -0.3 ILE 78 AG 81 o ? -0.2 ASP 99 AG 102 o ? -1.7 ILE 78 AG 81 o ? -0.2 +4751 ILE 98 AG 101 o ? ASP 76 AG 79 o ? -2.1 ASP 96 AG 99 o ? -0.2 ASP 76 AG 79 o ? -1.5 ILE 78 AG 81 o ? -0.2 +4752 ASP 99 AG 102 o ? GLY 97 AG 100 o ? -1.7 LEU 75 AG 78 o ? -0.2 VAL 119 AG 122 o ? -1.9 LYS 120 AG 123 o ? -0.4 +4753 PHE 100 AG 103 o ? THR 118 AG 121 o ? -0.2 SER 74 AG 77 o ? -0.1 THR 118 AG 121 o ? -0.2 GLY 320 W 338 c ? -0.1 +4754 GLN 101 AG 104 o ? PHE 117 AG 120 o ? -2.2 ASP 99 AG 102 o ? -0.3 PHE 117 AG 120 o ? -1.8 VAL 103 AG 106 o ? -0.3 +4755 PRO 102 AG 105 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 104 AG 107 o ? -0.4 LEU 116 AG 119 o ? -0.2 +4756 VAL 103 AG 106 o ? LEU 115 AG 118 o ? -2.8 GLN 101 AG 104 o ? -0.3 LEU 115 AG 118 o ? -2.7 VAL 105 AG 108 o ? -0.5 +4757 THR 104 AG 107 o ? PRO 102 AG 105 o ? -0.4 PRO 114 AG 117 o ? -0.2 VAL 68 AG 71 o ? -2.2 THR 69 AG 72 o ? -0.7 +4758 VAL 105 AG 108 o ? ILE 113 AG 116 o ? -1.9 VAL 103 AG 106 o ? -0.5 ILE 113 AG 116 o ? -3.4 MET 107 AG 110 o ? -0.4 +4759 GLN 106 AG 109 o ? LYS 66 AG 69 o ? -2.8 THR 104 AG 107 o ? -0.3 LYS 66 AG 69 o ? -2.7 ARG 112 AG 115 o ? -0.2 +4760 MET 107 AG 110 o ? GLU 111 AG 114 o ? -2.9 VAL 105 AG 108 o ? -0.4 GLY 110 AG 113 o ? -2.1 THR 65 AG 68 o ? -0.1 +4761 ALA 108 AG 111 o ? PRO 64 AG 67 o ? -0.3 GLY 109 AG 112 o ? -0.3 GLU 111 AG 114 o ? -0.3 GLY 76 B 77 B ? -0.2 +4762 GLY 109 AG 112 o ? SER 75 B 76 B ? -1.8 GLY 110 AG 113 o ? -0.2 ALA 108 AG 111 o ? -0.3 GLY 76 B 77 B ? -0.1 +4763 GLY 110 AG 113 o ? MET 107 AG 110 o ? -2.1 SER 75 B 76 B ? -0.4 GLY 109 AG 112 o ? -0.2 ALA 108 AG 111 o ? -0.1 +4764 GLU 111 AG 114 o ? ALA 108 AG 111 o ? -0.3 GLN 106 AG 109 o ? -0.1 MET 107 AG 110 o ? -2.9 ILE 113 AG 116 o ? -0.4 +4765 ARG 112 AG 115 o ? GLN 106 AG 109 o ? -0.2 GLY 110 AG 113 o ? -0.1 GLN 106 AG 109 o ? -0.2 GLU 111 AG 114 o ? -0.1 +4766 ILE 113 AG 116 o ? VAL 105 AG 108 o ? -3.4 GLU 111 AG 114 o ? -0.4 VAL 105 AG 108 o ? -1.9 LEU 115 AG 118 o ? -0.3 +4767 PRO 114 AG 117 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ASP 219 AG 222 o ? -3.0 LEU 116 AG 119 o ? -0.3 +4768 LEU 115 AG 118 o ? VAL 103 AG 106 o ? -2.7 ILE 113 AG 116 o ? -0.3 VAL 103 AG 106 o ? -2.8 PHE 117 AG 120 o ? -0.8 +4769 LEU 116 AG 119 o ? LEU 217 AG 220 o ? -0.4 PRO 114 AG 117 o ? -0.3 THR 118 AG 121 o ? -0.4 LEU 217 AG 220 o ? -0.1 +4770 PHE 117 AG 120 o ? GLN 101 AG 104 o ? -1.8 LEU 115 AG 118 o ? -0.8 GLN 101 AG 104 o ? -2.2 VAL 119 AG 122 o ? -0.3 +4771 THR 118 AG 121 o ? LEU 116 AG 119 o ? -0.4 PHE 100 AG 103 o ? -0.2 PHE 100 AG 103 o ? -0.2 PHE 143 AG 146 o ? -0.1 +4772 VAL 119 AG 122 o ? ASP 99 AG 102 o ? -1.9 PHE 117 AG 120 o ? -0.3 LEU 122 AG 125 o ? -1.5 GLU 94 AG 97 o ? -0.1 +4773 LYS 120 AG 123 o ? ASN 144 AG 147 o ? -0.5 ASP 99 AG 102 o ? -0.4 ASN 144 AG 147 o ? -3.1 THR 118 AG 121 o ? -0.1 +4774 ASN 121 AG 124 o ? PHE 143 AG 146 o ? -0.2 LEU 122 AG 125 o ? -0.2 LYS 120 AG 123 o ? -0.3 GLU 142 AG 145 o ? -0.1 +4775 LEU 122 AG 125 o ? VAL 119 AG 122 o ? -1.5 PHE 143 AG 146 o ? -0.1 GLU 94 AG 97 o ? -2.6 ALA 124 AG 127 o ? -0.4 +4776 VAL 123 AG 126 o ? GLU 142 AG 145 o ? -1.9 VAL 93 AG 96 o ? -0.2 GLU 142 AG 145 o ? -1.7 SER 125 AG 128 o ? -0.4 +4777 ALA 124 AG 127 o ? PHE 92 AG 95 o ? -2.2 LEU 122 AG 125 o ? -0.4 PHE 92 AG 95 o ? -3.5 THR 126 AG 129 o ? -0.3 +4778 SER 125 AG 128 o ? LYS 140 AG 143 o ? -2.4 VAL 123 AG 126 o ? -0.4 LYS 140 AG 143 o ? -2.7 THR 91 AG 94 o ? -0.2 +4779 THR 126 AG 129 o ? LEU 90 AG 93 o ? -2.0 ALA 124 AG 127 o ? -0.3 PHE 139 AG 142 o ? -0.1 SER 89 AG 92 o ? -0.1 +4780 GLN 127 AG 130 o ? ASP 138 AG 141 o ? -0.4 PRO 128 AG 131 o ? -0.2 LEU 90 AG 93 o ? -0.4 THR 126 AG 129 o ? -0.2 +4781 PRO 128 AG 131 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 88 AG 91 o ? -0.3 GLN 127 AG 130 o ? -0.2 +4782 ASN 129 AG 132 o ? ASP 87 AG 90 o ? -2.8 VAL 130 AG 133 o ? -0.2 THR 131 AG 134 o ? -1.0 SER 89 AG 92 o ? -0.2 +4783 VAL 130 AG 133 o ? GLY 88 AG 91 o ? -2.0 GLN 127 AG 130 o ? -0.2 ASN 129 AG 132 o ? -0.2 ILE 133 AG 136 o ? -0.1 +4784 THR 131 AG 134 o ? ASN 129 AG 132 o ? -1.0 SER 132 AG 135 o ? -0.2 ILE 29 AG 32 o ? -2.9 ILE 133 AG 136 o ? -0.3 +4785 SER 132 AG 135 o ? PRO 28 AG 31 o ? -0.3 ASN 129 AG 132 o ? -0.2 THR 134 AG 137 o ? -0.6 THR 131 AG 134 o ? -0.2 +4786 ILE 133 AG 136 o ? TYR 27 AG 30 o ? -2.5 THR 131 AG 134 o ? -0.3 TYR 27 AG 30 o ? -2.4 THR 135 AG 138 o ? -0.2 +4787 THR 134 AG 137 o ? SER 132 AG 135 o ? -0.6 ALA 26 AG 29 o ? -0.2 THR 137 AG 140 o ? -1.6 VAL 198 AG 201 o ? -0.1 +4788 THR 135 AG 138 o ? ARG 24 AG 27 o ? -0.3 GLY 25 AG 28 o ? -0.3 ALA 26 AG 29 o ? -0.1 ILE 133 AG 136 o ? -0.1 +4789 SER 136 AG 139 o ? ASN 197 AG 200 o ? -0.0 ASP 138 AG 141 o ? -0.0 THR 135 AG 138 o ? -0.3 ASP 138 AG 141 o ? -0.1 +4790 THR 137 AG 140 o ? THR 134 AG 137 o ? -1.6 ASN 197 AG 200 o ? -0.1 VAL 198 AG 201 o ? -1.4 PHE 139 AG 142 o ? -0.4 +4791 ASP 138 AG 141 o ? ASN 197 AG 200 o ? -0.2 SER 136 AG 139 o ? -0.1 LYS 140 AG 143 o ? -0.5 GLN 127 AG 130 o ? -0.4 +4792 PHE 139 AG 142 o ? LEU 196 AG 199 o ? -2.7 THR 137 AG 140 o ? -0.4 LEU 196 AG 199 o ? -3.2 GLY 141 AG 144 o ? -0.4 +4793 LYS 140 AG 143 o ? SER 125 AG 128 o ? -2.7 ASP 138 AG 141 o ? -0.5 SER 125 AG 128 o ? -2.4 GLU 142 AG 145 o ? -0.3 +4794 GLY 141 AG 144 o ? ILE 194 AG 197 o ? -2.2 PHE 139 AG 142 o ? -0.4 ILE 194 AG 197 o ? -2.2 PHE 143 AG 146 o ? -0.3 +4795 GLU 142 AG 145 o ? VAL 123 AG 126 o ? -1.7 LYS 140 AG 143 o ? -0.3 VAL 123 AG 126 o ? -1.9 ASN 144 AG 147 o ? -0.3 +4796 PHE 143 AG 146 o ? GLY 192 AG 195 o ? -1.8 GLY 141 AG 144 o ? -0.3 GLY 192 AG 195 o ? -2.0 VAL 145 AG 148 o ? -0.3 +4797 ASN 144 AG 147 o ? LYS 120 AG 123 o ? -3.1 GLU 142 AG 145 o ? -0.3 LYS 120 AG 123 o ? -0.5 LYS 191 AG 194 o ? -0.2 +4798 VAL 145 AG 148 o ? THR 190 AG 193 o ? -2.9 PHE 143 AG 146 o ? -0.3 THR 190 AG 193 o ? -2.0 TYR 148 AG 151 o ? -0.1 +4799 PRO 146 AG 149 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 189 AG 192 o ? -0.2 LEU 116 AG 119 o ? -0.1 +4800 SER 147 AG 150 o ? SER 188 AG 191 o ? -1.1 TYR 148 AG 151 o ? -0.1 ASP 219 AG 222 o ? -0.1 PHE 187 AG 190 o ? -0.1 +4801 TYR 148 AG 151 o ? VAL 145 AG 148 o ? -0.1 SER 218 AG 221 o ? -0.1 THR 150 AG 153 o ? -0.3 SER 147 AG 150 o ? -0.1 +4802 ARG 149 AG 152 o ? GLY 318 W 336 c ? -0.1 PHE 153 AG 156 o ? -0.0 THR 317 W 335 c ? -0.2 ALA 151 AG 154 o ? -0.1 +4803 THR 150 AG 153 o ? PRO 316 W 334 c ? -1.1 TYR 148 AG 151 o ? -0.3 PHE 153 AG 156 o ? -1.8 LEU 161 AG 164 o ? -0.2 +4804 ALA 151 AG 154 o ? ALA 83 AI 90 u ? -0.4 ASN 152 AG 155 o ? -0.3 ALA 162 AG 165 o ? -2.1 LEU 161 AG 164 o ? -1.2 +4805 ASN 152 AG 155 o ? ALA 162 AG 165 o ? -0.2 LEU 161 AG 164 o ? -0.2 ALA 151 AG 154 o ? -0.3 THR 317 W 335 c ? -0.1 +4806 PHE 153 AG 156 o ? THR 150 AG 153 o ? -1.8 PRO 316 W 334 c ? -0.2 LEU 161 AG 164 o ? -0.5 ASP 155 AG 158 o ? -0.5 +4807 LEU 154 AG 157 o ? GLY 160 AG 163 o ? -0.1 LEU 161 AG 164 o ? -0.1 GLY 160 AG 163 o ? -0.2 GLY 164 AG 167 o ? -0.1 +4808 ASP 155 AG 158 o ? ARG 159 AG 162 o ? -3.1 PHE 153 AG 156 o ? -0.5 GLY 158 AG 161 o ? -2.2 GLU 299 X 310 d ? -0.1 +4809 PRO 156 AG 159 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 309 X 320 d ? -0.2 THR 302 X 313 d ? -0.1 +4810 LYS 157 AG 160 o ? ALA 294 X 305 d ? -0.2 ARG 159 AG 162 o ? -0.1 ILE 169 AG 172 o ? -0.3 TYR 165 AG 168 o ? -0.1 +4811 GLY 158 AG 161 o ? ASP 155 AG 158 o ? -2.2 ARG 159 AG 162 o ? -0.3 TYR 165 AG 168 o ? -2.9 GLY 160 AG 163 o ? -0.3 +4812 ARG 159 AG 162 o ? GLY 164 AG 167 o ? -0.3 ASP 166 AG 169 o ? -0.1 ASP 155 AG 158 o ? -3.1 GLY 158 AG 161 o ? -0.3 +4813 GLY 160 AG 163 o ? TYR 165 AG 168 o ? -1.0 GLY 158 AG 161 o ? -0.3 LYS 185 AG 188 o ? -0.4 LEU 154 AG 157 o ? -0.1 +4814 LEU 161 AG 164 o ? ALA 151 AG 154 o ? -1.2 PHE 153 AG 156 o ? -0.5 ASN 152 AG 155 o ? -0.2 ASP 7 AI 14 u ? -0.2 +4815 ALA 162 AG 165 o ? ALA 151 AG 154 o ? -2.1 PHE 153 AG 156 o ? -0.1 ARG 384 V 385 b ? -2.2 ALA 385 V 386 b ? -0.6 +4816 SER 163 AG 166 o ? ALA 151 AG 154 o ? -0.6 PHE 153 AG 156 o ? -0.2 ARG 383 V 384 b ? -0.2 GLY 160 AG 163 o ? -0.2 +4817 GLY 164 AG 167 o ? ALA 162 AG 165 o ? -0.3 ARG 159 AG 162 o ? -0.2 ARG 159 AG 162 o ? -0.3 ASP 166 AG 169 o ? -0.1 +4818 TYR 165 AG 168 o ? GLY 158 AG 161 o ? -2.9 LYS 157 AG 160 o ? -0.1 GLY 160 AG 163 o ? -1.0 SER 163 AG 166 o ? -0.1 +4819 ASP 166 AG 169 o ? ARG 159 AG 162 o ? -0.2 GLY 164 AG 167 o ? -0.1 ALA 168 AG 171 o ? -0.3 TYR 165 AG 168 o ? -0.1 +4820 SER 167 AG 170 o ? ALA 182 AG 185 o ? -0.1 VAL 184 AG 187 o ? -0.0 ILE 169 AG 172 o ? -1.4 ALA 170 AG 173 o ? -0.1 +4821 ALA 168 AG 171 o ? ASP 166 AG 169 o ? -0.3 ILE 169 AG 172 o ? -0.2 LEU 171 AG 174 o ? -2.1 ALA 174 AG 177 o ? -0.2 +4822 ILE 169 AG 172 o ? SER 167 AG 170 o ? -1.4 ALA 170 AG 173 o ? -0.3 ALA 168 AG 171 o ? -0.2 PHE 365 V 366 b ? -0.1 +4823 ALA 170 AG 173 o ? LEU 171 AG 174 o ? -0.2 GLU 291 X 302 d ? -0.1 ILE 169 AG 172 o ? -0.3 GLU 291 X 302 d ? -0.1 +4824 LEU 171 AG 174 o ? ALA 168 AG 171 o ? -2.1 PRO 172 AG 175 o ? -0.1 ALA 174 AG 177 o ? -1.9 ALA 170 AG 173 o ? -0.2 +4825 PRO 172 AG 175 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 441 V 442 b ? -0.2 LEU 171 AG 174 o ? -0.1 +4826 GLN 173 AG 176 o ? GLY 440 V 441 b ? -2.4 LYS 175 AG 178 o ? -0.1 GLY 440 V 441 b ? -0.2 LYS 175 AG 178 o ? -0.2 +4827 ALA 174 AG 177 o ? LEU 171 AG 174 o ? -1.9 GLY 440 V 441 b ? -0.3 GLU 176 AG 179 o ? -0.5 ASP 439 V 440 b ? -0.1 +4828 LYS 175 AG 178 o ? GLN 173 AG 176 o ? -0.2 GLU 176 AG 179 o ? -0.2 GLU 178 AG 181 o ? -0.8 LEU 179 AG 182 o ? -0.3 +4829 GLU 176 AG 179 o ? ALA 174 AG 177 o ? -0.5 GLU 177 AG 180 o ? -0.2 LEU 179 AG 182 o ? -2.1 ALA 180 AG 183 o ? -0.4 +4830 GLU 177 AG 180 o ? GLU 178 AG 181 o ? -0.3 LEU 179 AG 182 o ? -0.2 ALA 180 AG 183 o ? -0.8 ARG 181 AG 184 o ? -0.2 +4831 GLU 178 AG 181 o ? LYS 175 AG 178 o ? -0.8 LEU 179 AG 182 o ? -0.2 GLU 177 AG 180 o ? -0.3 GLU 176 AG 179 o ? -0.2 +4832 LEU 179 AG 182 o ? GLU 176 AG 179 o ? -2.1 LYS 175 AG 178 o ? -0.3 ASN 183 AG 186 o ? -1.9 ALA 182 AG 185 o ? -1.0 +4833 ALA 180 AG 183 o ? GLU 177 AG 180 o ? -0.8 GLU 176 AG 179 o ? -0.4 VAL 184 AG 187 o ? -2.4 LEU 179 AG 182 o ? -0.1 +4834 ARG 181 AG 184 o ? GLU 177 AG 180 o ? -0.2 ALA 182 AG 185 o ? -0.2 ALA 180 AG 183 o ? -0.3 LEU 179 AG 182 o ? -0.1 +4835 ALA 182 AG 185 o ? LEU 179 AG 182 o ? -1.0 ASN 183 AG 186 o ? -0.1 ARG 181 AG 184 o ? -0.2 ALA 180 AG 183 o ? -0.2 +4836 ASN 183 AG 186 o ? LEU 179 AG 182 o ? -1.9 VAL 184 AG 187 o ? -0.2 LYS 185 AG 188 o ? -0.9 ARG 181 AG 184 o ? -0.2 +4837 VAL 184 AG 187 o ? ALA 180 AG 183 o ? -2.4 LEU 179 AG 182 o ? -0.2 ARG 186 AG 189 o ? -0.2 ASN 183 AG 186 o ? -0.2 +4838 LYS 185 AG 188 o ? ASN 183 AG 186 o ? -0.9 GLY 160 AG 163 o ? -0.4 PHE 187 AG 190 o ? -0.4 VAL 5 AI 12 u ? -0.3 +4839 ARG 186 AG 189 o ? MET 222 AG 225 o ? -2.3 VAL 184 AG 187 o ? -0.2 SER 188 AG 191 o ? -0.7 ALA 224 AG 227 o ? -0.1 +4840 PHE 187 AG 190 o ? LYS 185 AG 188 o ? -0.4 MET 222 AG 225 o ? -0.1 LEU 189 AG 192 o ? -0.2 ALA 83 AI 90 u ? -0.1 +4841 SER 188 AG 191 o ? ARG 186 AG 189 o ? -0.7 THR 82 AI 89 u ? -0.1 SER 147 AG 150 o ? -1.1 THR 190 AG 193 o ? -0.3 +4842 LEU 189 AG 192 o ? PHE 187 AG 190 o ? -0.2 PRO 146 AG 149 o ? -0.2 LYS 191 AG 194 o ? -0.2 PHE 187 AG 190 o ? -0.0 +4843 THR 190 AG 193 o ? VAL 145 AG 148 o ? -2.0 SER 188 AG 191 o ? -0.3 VAL 145 AG 148 o ? -2.9 GLY 192 AG 195 o ? -0.3 +4844 LYS 191 AG 194 o ? ASN 144 AG 147 o ? -0.2 LEU 189 AG 192 o ? -0.2 GLN 193 AG 196 o ? -0.3 ASN 144 AG 147 o ? -0.2 +4845 GLY 192 AG 195 o ? PHE 143 AG 146 o ? -2.0 THR 190 AG 193 o ? -0.3 PHE 143 AG 146 o ? -1.8 ILE 194 AG 197 o ? -0.4 +4846 GLN 193 AG 196 o ? GLU 215 AG 218 o ? -1.5 LYS 191 AG 194 o ? -0.3 GLU 215 AG 218 o ? -2.7 SER 195 AG 198 o ? -0.4 +4847 ILE 194 AG 197 o ? GLY 141 AG 144 o ? -2.2 GLY 192 AG 195 o ? -0.4 GLY 141 AG 144 o ? -2.2 LEU 196 AG 199 o ? -0.4 +4848 SER 195 AG 198 o ? GLU 213 AG 216 o ? -2.8 GLN 193 AG 196 o ? -0.4 GLU 213 AG 216 o ? -1.9 ASN 197 AG 200 o ? -0.6 +4849 LEU 196 AG 199 o ? PHE 139 AG 142 o ? -3.2 ILE 194 AG 197 o ? -0.4 PHE 139 AG 142 o ? -2.7 VAL 198 AG 201 o ? -0.8 +4850 ASN 197 AG 200 o ? THR 211 AG 214 o ? -2.4 SER 195 AG 198 o ? -0.6 THR 211 AG 214 o ? -1.6 ALA 199 AG 202 o ? -0.2 +4851 VAL 198 AG 201 o ? THR 137 AG 140 o ? -1.4 LEU 196 AG 199 o ? -0.8 GLY 210 AG 213 o ? -0.3 VAL 201 AG 204 o ? -0.1 +4852 ALA 199 AG 202 o ? ALA 209 AG 212 o ? -2.5 LYS 200 AG 203 o ? -0.3 VAL 201 AG 204 o ? -0.3 GLY 210 AG 213 o ? -0.2 +4853 LYS 200 AG 203 o ? ALA 209 AG 212 o ? -2.2 THR 134 AG 137 o ? -0.1 ALA 209 AG 212 o ? -2.1 ASP 202 AG 205 o ? -0.4 +4854 VAL 201 AG 204 o ? ALA 23 AG 26 o ? -0.9 ALA 199 AG 202 o ? -0.3 GLY 25 AG 28 o ? -1.5 GLY 203 AG 206 o ? -0.7 +4855 ASP 202 AG 205 o ? GLU 207 AG 210 o ? -3.0 LYS 200 AG 203 o ? -0.4 GLY 206 AG 209 o ? -2.0 GLU 207 AG 210 o ? -1.0 +4856 GLY 203 AG 206 o ? VAL 201 AG 204 o ? -0.7 ARG 204 AG 207 o ? -0.2 ASP 202 AG 205 o ? -0.1 ILE 133 AG 136 o ? -0.1 +4857 ARG 204 AG 207 o ? THR 205 AG 208 o ? -0.1 VAL 201 AG 204 o ? -0.1 GLY 203 AG 206 o ? -0.2 ASP 202 AG 205 o ? -0.0 +4858 THR 205 AG 208 o ? GLU 207 AG 210 o ? -0.1 GLU 241 AG 244 o ? -0.0 GLY 203 AG 206 o ? -0.2 ARG 204 AG 207 o ? -0.1 +4859 GLY 206 AG 209 o ? ASP 202 AG 205 o ? -2.0 GLU 207 AG 210 o ? -0.3 ILE 240 AG 243 o ? -3.9 ILE 208 AG 211 o ? -0.4 +4860 GLU 207 AG 210 o ? ASP 202 AG 205 o ? -1.0 SER 239 AG 242 o ? -0.3 ASP 202 AG 205 o ? -3.0 ALA 209 AG 212 o ? -0.3 +4861 ILE 208 AG 211 o ? ALA 238 AG 241 o ? -3.1 GLY 206 AG 209 o ? -0.4 ALA 238 AG 241 o ? -2.8 GLY 210 AG 213 o ? -0.3 +4862 ALA 209 AG 212 o ? LYS 200 AG 203 o ? -2.1 GLU 207 AG 210 o ? -0.3 ALA 199 AG 202 o ? -2.5 LYS 200 AG 203 o ? -2.2 +4863 GLY 210 AG 213 o ? PHE 236 AG 239 o ? -2.0 ILE 208 AG 211 o ? -0.3 PHE 236 AG 239 o ? -2.3 PHE 212 AG 215 o ? -0.3 +4864 THR 211 AG 214 o ? ASN 197 AG 200 o ? -1.6 VAL 235 AG 238 o ? -0.3 ASN 197 AG 200 o ? -2.4 GLU 213 AG 216 o ? -0.3 +4865 PHE 212 AG 215 o ? GLY 234 AG 237 o ? -2.2 GLY 210 AG 213 o ? -0.3 GLY 234 AG 237 o ? -1.4 SER 214 AG 217 o ? -0.4 +4866 GLU 213 AG 216 o ? SER 195 AG 198 o ? -1.9 THR 211 AG 214 o ? -0.3 SER 195 AG 198 o ? -2.8 GLU 215 AG 218 o ? -0.3 +4867 SER 214 AG 217 o ? ILE 232 AG 235 o ? -2.5 PHE 212 AG 215 o ? -0.4 ILE 232 AG 235 o ? -3.1 GLN 216 AG 219 o ? -0.4 +4868 GLU 215 AG 218 o ? GLN 193 AG 196 o ? -2.7 GLU 213 AG 216 o ? -0.3 GLN 193 AG 196 o ? -1.5 LEU 217 AG 220 o ? -0.3 +4869 GLN 216 AG 219 o ? VAL 230 AG 233 o ? -2.2 SER 214 AG 217 o ? -0.4 VAL 230 AG 233 o ? -3.2 SER 218 AG 221 o ? -0.2 +4870 LEU 217 AG 220 o ? GLU 215 AG 218 o ? -0.3 GLU 229 AG 232 o ? -0.2 LEU 116 AG 119 o ? -0.4 GLU 229 AG 232 o ? -0.2 +4871 SER 218 AG 221 o ? HIS 228 AG 231 o ? -2.3 GLN 216 AG 219 o ? -0.2 LEU 115 AG 118 o ? -0.3 TYR 148 AG 151 o ? -0.1 +4872 ASP 219 AG 222 o ? PRO 114 AG 117 o ? -3.0 ASP 220 AG 223 o ? -0.1 HIS 228 AG 231 o ? -0.2 SER 218 AG 221 o ? -0.2 +4873 ASP 220 AG 223 o ? PRO 227 AG 230 o ? -0.1 LEU 217 AG 220 o ? -0.1 HIS 225 AG 228 o ? -1.6 ALA 224 AG 227 o ? -0.7 +4874 ASP 221 AG 224 o ? MET 222 AG 225 o ? -0.2 GLY 223 AG 226 o ? -0.2 ALA 224 AG 227 o ? -1.3 ARG 186 AG 189 o ? -0.1 +4875 MET 222 AG 225 o ? GLY 223 AG 226 o ? -0.3 LYS 185 AG 188 o ? -0.1 ARG 186 AG 189 o ? -2.3 ASP 221 AG 224 o ? -0.2 +4876 GLY 223 AG 226 o ? ASP 220 AG 223 o ? -0.4 HIS 225 AG 228 o ? -0.3 MET 222 AG 225 o ? -0.3 ASP 221 AG 224 o ? -0.2 +4877 ALA 224 AG 227 o ? ASP 221 AG 224 o ? -1.3 ASP 220 AG 223 o ? -0.7 GLU 226 AG 229 o ? -0.3 ASP 221 AG 224 o ? -0.2 +4878 HIS 225 AG 228 o ? ASP 220 AG 223 o ? -1.6 ARG 181 AG 184 o ? -0.0 GLY 223 AG 226 o ? -0.3 ALA 224 AG 227 o ? -0.1 +4879 GLU 226 AG 229 o ? ALA 224 AG 227 o ? -0.3 PRO 227 AG 230 o ? -0.1 ASP 219 AG 222 o ? -0.0 HIS 228 AG 231 o ? -0.0 +4880 PRO 227 AG 230 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 229 AG 232 o ? -0.3 ASP 220 AG 223 o ? -0.1 +4881 HIS 228 AG 231 o ? ASP 219 AG 222 o ? -0.2 GLU 226 AG 229 o ? -0.0 SER 218 AG 221 o ? -2.3 VAL 230 AG 233 o ? -0.4 +4882 GLU 229 AG 232 o ? LYS 50 AG 53 o ? -0.4 PRO 227 AG 230 o ? -0.3 LYS 50 AG 53 o ? -2.1 LYS 231 AG 234 o ? -0.4 +4883 VAL 230 AG 233 o ? GLN 216 AG 219 o ? -3.2 HIS 228 AG 231 o ? -0.4 GLN 216 AG 219 o ? -2.2 ILE 232 AG 235 o ? -0.5 +4884 LYS 231 AG 234 o ? LEU 48 AG 51 o ? -3.0 GLU 229 AG 232 o ? -0.4 LEU 48 AG 51 o ? -2.9 GLN 233 AG 236 o ? -0.5 +4885 ILE 232 AG 235 o ? SER 214 AG 217 o ? -3.1 VAL 230 AG 233 o ? -0.5 SER 214 AG 217 o ? -2.5 GLY 234 AG 237 o ? -0.3 +4886 GLN 233 AG 236 o ? THR 46 AG 49 o ? -2.1 LYS 231 AG 234 o ? -0.5 THR 45 AG 48 o ? -3.2 THR 46 AG 49 o ? -2.0 +4887 GLY 234 AG 237 o ? PHE 212 AG 215 o ? -1.4 ILE 232 AG 235 o ? -0.3 PHE 212 AG 215 o ? -2.2 PHE 236 AG 239 o ? -0.3 +4888 VAL 235 AG 238 o ? GLN 43 AG 46 o ? -2.0 GLN 233 AG 236 o ? -0.3 GLN 43 AG 46 o ? -3.0 TYR 237 AG 240 o ? -0.3 +4889 PHE 236 AG 239 o ? GLY 210 AG 213 o ? -2.3 GLY 234 AG 237 o ? -0.3 GLY 210 AG 213 o ? -2.0 ALA 238 AG 241 o ? -0.3 +4890 TYR 237 AG 240 o ? CYS 41 AG 44 o ? -2.1 VAL 235 AG 238 o ? -0.3 CYS 41 AG 44 o ? -3.1 SER 239 AG 242 o ? -0.3 +4891 ALA 238 AG 241 o ? ILE 208 AG 211 o ? -2.8 PHE 236 AG 239 o ? -0.3 ILE 208 AG 211 o ? -3.1 ILE 240 AG 243 o ? -0.5 +4892 SER 239 AG 242 o ? ARG 39 AG 42 o ? -1.9 TYR 237 AG 240 o ? -0.3 ALA 38 AG 41 o ? -2.1 ARG 39 AG 42 o ? -1.0 +4893 ILE 240 AG 243 o ? GLY 206 AG 209 o ? -3.9 ALA 238 AG 241 o ? -0.5 ILE 37 AG 40 o ? -0.2 ALA 238 AG 241 o ? -0.0 +4894 GLU 241 AG 244 o ? ARG 36 AG 39 o ? -2.4 SER 239 AG 242 o ? -0.3 ARG 36 AG 39 o ? -2.7 ALA 243 AG 246 o ? -0.2 +4895 PRO 242 AG 245 o ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TYR 35 AG 38 o ? -0.3 GLN 33 AG 36 o ? -0.0 +4896 ALA 243 AG 246 o ? THR 34 AG 37 o ? -3.2 GLU 241 AG 244 o ? -0.2 THR 34 AG 37 o ? -0.3 ARG 36 AG 39 o ? -0.0 +4897 FME 1 AH 1 t ? THR 3 AH 3 t ? -0.0 ? ? ? ? ? ? ? THR 5 AH 5 t ? -2.3 TYR 6 AH 6 t ? -0.1 +4898 GLU 2 AH 2 t ? THR 3 AH 3 t ? -0.2 ILE 4 AH 4 t ? -0.2 TYR 6 AH 6 t ? -2.8 VAL 7 AH 7 t ? -0.2 +4899 THR 3 AH 3 t ? ILE 4 AH 4 t ? -0.2 THR 5 AH 5 t ? -0.2 VAL 7 AH 7 t ? -2.4 PHE 8 AH 8 t ? -0.3 +4900 ILE 4 AH 4 t ? THR 5 AH 5 t ? -0.2 TYR 6 AH 6 t ? -0.2 PHE 8 AH 8 t ? -2.9 GLU 2 AH 2 t ? -0.2 +4901 THR 5 AH 5 t ? FME 1 AH 1 t ? -2.3 TYR 6 AH 6 t ? -0.2 ILE 9 AH 9 t ? -2.2 ILE 4 AH 4 t ? -0.2 +4902 TYR 6 AH 6 t ? GLU 2 AH 2 t ? -2.8 VAL 7 AH 7 t ? -0.2 PHE 10 AH 10 t ? -1.9 THR 5 AH 5 t ? -0.2 +4903 VAL 7 AH 7 t ? THR 3 AH 3 t ? -2.4 GLU 2 AH 2 t ? -0.2 ALA 11 AH 11 t ? -2.6 TYR 6 AH 6 t ? -0.2 +4904 PHE 8 AH 8 t ? ILE 4 AH 4 t ? -2.9 THR 3 AH 3 t ? -0.3 CYS 12 AH 12 t ? -2.0 TYR 6 AH 6 t ? -0.2 +4905 ILE 9 AH 9 t ? THR 5 AH 5 t ? -2.2 PHE 10 AH 10 t ? -0.2 ILE 13 AH 13 t ? -2.0 VAL 7 AH 7 t ? -0.2 +4906 PHE 10 AH 10 t ? TYR 6 AH 6 t ? -1.9 ALA 11 AH 11 t ? -0.2 ILE 14 AH 14 t ? -2.2 ILE 9 AH 9 t ? -0.2 +4907 ALA 11 AH 11 t ? VAL 7 AH 7 t ? -2.6 CYS 12 AH 12 t ? -0.2 ALA 15 AH 15 t ? -2.4 PHE 10 AH 10 t ? -0.2 +4908 CYS 12 AH 12 t ? PHE 8 AH 8 t ? -2.0 ILE 14 AH 14 t ? -0.2 LEU 16 AH 16 t ? -2.5 ALA 11 AH 11 t ? -0.2 +4909 ILE 13 AH 13 t ? ILE 9 AH 9 t ? -2.0 ALA 15 AH 15 t ? -0.2 PHE 17 AH 17 t ? -2.2 ALA 11 AH 11 t ? -0.2 +4910 ILE 14 AH 14 t ? PHE 10 AH 10 t ? -2.2 ALA 15 AH 15 t ? -0.2 PHE 18 AH 18 t ? -1.5 CYS 12 AH 12 t ? -0.2 +4911 ALA 15 AH 15 t ? ALA 11 AH 11 t ? -2.4 LEU 16 AH 16 t ? -0.2 PHE 19 AH 19 t ? -1.7 PHE 18 AH 18 t ? -0.3 +4912 LEU 16 AH 16 t ? CYS 12 AH 12 t ? -2.5 PHE 17 AH 17 t ? -0.2 ALA 20 AH 20 t ? -2.6 ALA 15 AH 15 t ? -0.2 +4913 PHE 17 AH 17 t ? ILE 13 AH 13 t ? -2.2 PHE 18 AH 18 t ? -0.2 ILE 21 AH 21 t ? -1.8 PHE 22 AH 22 t ? -0.2 +4914 PHE 18 AH 18 t ? ILE 14 AH 14 t ? -1.5 ALA 15 AH 15 t ? -0.3 PHE 22 AH 22 t ? -2.4 PHE 23 AH 23 t ? -0.4 +4915 PHE 19 AH 19 t ? ALA 15 AH 15 t ? -1.7 ALA 20 AH 20 t ? -0.2 PHE 23 AH 23 t ? -1.8 PHE 18 AH 18 t ? -0.2 +4916 ALA 20 AH 20 t ? LEU 16 AH 16 t ? -2.6 ALA 15 AH 15 t ? -0.2 PHE 19 AH 19 t ? -0.2 PHE 18 AH 18 t ? -0.2 +4917 ILE 21 AH 21 t ? PHE 17 AH 17 t ? -1.8 PHE 18 AH 18 t ? -0.2 ARG 24 AH 24 t ? -0.6 PHE 19 AH 19 t ? -0.2 +4918 PHE 22 AH 22 t ? PHE 18 AH 18 t ? -2.4 PHE 17 AH 17 t ? -0.2 PHE 19 AH 19 t ? -0.2 ALA 20 AH 20 t ? -0.2 +4919 PHE 23 AH 23 t ? PHE 19 AH 19 t ? -1.8 PHE 18 AH 18 t ? -0.4 PHE 22 AH 22 t ? -0.2 ILE 21 AH 21 t ? -0.1 +4920 ARG 24 AH 24 t ? ILE 21 AH 21 t ? -0.6 GLU 25 AH 25 t ? -0.1 ILE 21 AH 21 t ? -0.1 ALA 20 AH 20 t ? -0.1 +4921 GLU 25 AH 25 t ? ALA 20 AH 20 t ? -0.1 PHE 23 AH 23 t ? -0.1 ARG 24 AH 24 t ? -0.1 PHE 23 AH 23 t ? -0.1 +4922 PRO 26 AH 26 t ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 28 AH 28 t ? -0.2 GLU 25 AH 25 t ? -0.0 +4923 PRO 27 AH 27 t ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 29 AH 29 t ? -0.4 ASP 455 W 473 c ? -0.2 +4924 ARG 28 AH 28 t ? PRO 26 AH 26 t ? -0.2 SER 251 X 262 d ? -0.1 THR 30 AH 30 t ? -0.3 PHE 229 U 239 a ? -0.1 +4925 ILE 29 AH 29 t ? PRO 27 AH 27 t ? -0.4 GLY 230 U 240 a ? -0.1 GLY 230 U 240 a ? -0.2 PHE 229 U 239 a ? -0.1 +4926 THR 30 AH 30 t ? PHE 229 U 239 a ? -1.4 ARG 28 AH 28 t ? -0.3 LYS 228 U 238 a ? -0.0 ILE 29 AH 29 t ? -0.0 +4927 GLU 1 AI 8 u ? LEU 2 AI 9 u ? -0.1 VAL 3 AI 10 u ? -0.0 VAL 3 AI 10 u ? -0.7 ? ? ? ? ? ? ? +4928 LEU 2 AI 9 u ? ASN 4 AI 11 u ? -0.0 ARG 186 AG 189 o ? -0.0 ASN 4 AI 11 u ? -0.3 GLU 1 AI 8 u ? -0.1 +4929 VAL 3 AI 10 u ? GLU 1 AI 8 u ? -0.7 VAL 184 AG 187 o ? -0.1 VAL 5 AI 12 u ? -0.7 VAL 6 AI 13 u ? -0.0 +4930 ASN 4 AI 11 u ? LEU 2 AI 9 u ? -0.3 VAL 5 AI 12 u ? -0.1 GLU 8 AI 15 u ? -1.7 LYS 9 AI 16 u ? -0.1 +4931 VAL 5 AI 12 u ? VAL 3 AI 10 u ? -0.7 LYS 185 AG 188 o ? -0.3 LYS 9 AI 16 u ? -1.6 ASN 4 AI 11 u ? -0.1 +4932 VAL 6 AI 13 u ? GLU 8 AI 15 u ? -0.2 ASP 7 AI 14 u ? -0.2 LEU 10 AI 17 u ? -1.3 VAL 5 AI 12 u ? -0.2 +4933 ASP 7 AI 14 u ? GLU 8 AI 15 u ? -0.2 LYS 9 AI 16 u ? -0.2 GLY 11 AI 18 u ? -0.4 LEU 10 AI 17 u ? -0.2 +4934 GLU 8 AI 15 u ? ASN 4 AI 11 u ? -1.7 LYS 9 AI 16 u ? -0.2 GLY 11 AI 18 u ? -1.3 VAL 6 AI 13 u ? -0.2 +4935 LYS 9 AI 16 u ? VAL 5 AI 12 u ? -1.6 LEU 10 AI 17 u ? -0.3 THR 12 AI 19 u ? -2.0 GLY 15 AI 22 u ? -0.5 +4936 LEU 10 AI 17 u ? VAL 6 AI 13 u ? -1.3 GLY 11 AI 18 u ? -0.3 LYS 9 AI 16 u ? -0.3 GLU 8 AI 15 u ? -0.2 +4937 GLY 11 AI 18 u ? GLU 8 AI 15 u ? -1.3 ASP 7 AI 14 u ? -0.4 LEU 10 AI 17 u ? -0.3 LYS 9 AI 16 u ? -0.2 +4938 THR 12 AI 19 u ? LYS 9 AI 16 u ? -2.0 GLU 8 AI 15 u ? -0.0 GLY 15 AI 22 u ? -2.0 GLU 16 AI 23 u ? -0.1 +4939 ALA 13 AI 20 u ? TYR 14 AI 21 u ? -0.3 GLY 15 AI 22 u ? -0.2 LYS 17 AI 24 u ? -2.4 GLU 16 AI 23 u ? -1.9 +4940 TYR 14 AI 21 u ? LYS 9 AI 16 u ? -0.4 GLY 15 AI 22 u ? -0.3 ALA 13 AI 20 u ? -0.3 ASP 19 AI 26 u ? -0.2 +4941 GLY 15 AI 22 u ? THR 12 AI 19 u ? -2.0 LYS 9 AI 16 u ? -0.5 TYR 14 AI 21 u ? -0.3 ALA 13 AI 20 u ? -0.2 +4942 GLU 16 AI 23 u ? ALA 13 AI 20 u ? -1.9 LYS 17 AI 24 u ? -0.2 ILE 18 AI 25 u ? -0.2 TYR 14 AI 21 u ? -0.2 +4943 LYS 17 AI 24 u ? ALA 13 AI 20 u ? -2.4 ? ? ? ? ? ? ? ASP 19 AI 26 u ? -0.8 GLU 16 AI 23 u ? -0.2 +4944 ILE 18 AI 25 u ? HIS 74 AI 81 u ? -1.8 GLU 16 AI 23 u ? -0.2 THR 76 AI 83 u ? -1.9 LEU 20 AI 27 u ? -0.7 +4945 ASP 19 AI 26 u ? LYS 17 AI 24 u ? -0.8 TYR 14 AI 21 u ? -0.2 THR 23 AI 30 u ? -2.0 ASN 22 AI 29 u ? -1.3 +4946 LEU 20 AI 27 u ? THR 76 AI 83 u ? -2.6 ILE 18 AI 25 u ? -0.7 ASP 19 AI 26 u ? -0.2 VAL 77 AI 84 u ? -0.1 +4947 ASN 21 AI 28 u ? THR 76 AI 83 u ? -0.3 THR 78 AI 85 u ? -0.1 LEU 20 AI 27 u ? -0.3 GLU 81 AI 88 u ? -0.2 +4948 ASN 22 AI 29 u ? ASP 19 AI 26 u ? -1.3 VAL 80 AI 87 u ? -0.1 LEU 20 AI 27 u ? -0.2 VAL 77 AI 84 u ? -0.0 +4949 THR 23 AI 30 u ? ASP 19 AI 26 u ? -2.0 ASN 24 AI 31 u ? -0.1 PHE 28 AI 35 u ? -0.1 ILE 25 AI 32 u ? -0.1 +4950 ASN 24 AI 31 u ? ALA 385 V 386 b ? -0.2 ILE 25 AI 32 u ? -0.1 ALA 27 AI 34 u ? -2.0 PHE 28 AI 35 u ? -0.2 +4951 ILE 25 AI 32 u ? ARG 90 AI 97 u ? -3.1 ALA 26 AI 33 u ? -0.3 PHE 28 AI 35 u ? -1.4 ASN 24 AI 31 u ? -0.1 +4952 ALA 26 AI 33 u ? ALA 27 AI 34 u ? -0.3 ARG 90 AI 97 u ? -0.2 ILE 29 AI 36 u ? -1.5 ILE 25 AI 32 u ? -0.3 +4953 ALA 27 AI 34 u ? ASN 24 AI 31 u ? -2.0 PHE 28 AI 35 u ? -0.3 GLN 30 AI 37 u ? -1.5 ALA 26 AI 33 u ? -0.3 +4954 PHE 28 AI 35 u ? ILE 25 AI 32 u ? -1.4 ILE 29 AI 36 u ? -0.3 TYR 31 AI 38 u ? -0.8 LEU 34 AI 41 u ? -0.4 +4955 ILE 29 AI 36 u ? ALA 26 AI 33 u ? -1.5 GLN 30 AI 37 u ? -0.2 PHE 28 AI 35 u ? -0.3 ALA 27 AI 34 u ? -0.1 +4956 GLN 30 AI 37 u ? ALA 27 AI 34 u ? -1.5 ALA 26 AI 33 u ? -0.2 ARG 32 AI 39 u ? -0.3 ILE 29 AI 36 u ? -0.2 +4957 TYR 31 AI 38 u ? PHE 28 AI 35 u ? -0.8 ALA 27 AI 34 u ? -0.1 LEU 34 AI 41 u ? -1.0 TYR 35 AI 42 u ? -0.4 +4958 ARG 32 AI 39 u ? GLN 30 AI 37 u ? -0.3 GLY 33 AI 40 u ? -0.2 ALA 62 AJ 62 v ? -0.1 ASP 83 AJ 83 v ? -0.1 +4959 GLY 33 AI 40 u ? LEU 61 AJ 61 v ? -0.5 TYR 82 AJ 82 v ? -0.3 LEU 38 AI 45 u ? -0.3 ARG 32 AI 39 u ? -0.2 +4960 LEU 34 AI 41 u ? TYR 31 AI 38 u ? -1.0 PHE 28 AI 35 u ? -0.4 ALA 39 AI 46 u ? -2.4 LYS 40 AI 47 u ? -0.2 +4961 TYR 35 AI 42 u ? TYR 31 AI 38 u ? -0.4 PHE 28 AI 35 u ? -0.3 GLY 33 AI 40 u ? -0.2 ASP 83 AJ 83 v ? -0.1 +4962 PRO 36 AI 43 u ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 40 AI 47 u ? -2.3 LEU 41 AI 48 u ? -0.2 +4963 THR 37 AI 44 u ? LEU 38 AI 45 u ? -0.2 ALA 39 AI 46 u ? -0.2 LEU 41 AI 48 u ? -1.7 TYR 35 AI 42 u ? -0.1 +4964 LEU 38 AI 45 u ? GLY 33 AI 40 u ? -0.3 ALA 39 AI 46 u ? -0.2 ILE 42 AI 49 u ? -2.9 THR 37 AI 44 u ? -0.2 +4965 ALA 39 AI 46 u ? LEU 34 AI 41 u ? -2.4 LYS 40 AI 47 u ? -0.2 VAL 43 AI 50 u ? -2.3 LYS 44 AI 51 u ? -0.2 +4966 LYS 40 AI 47 u ? PRO 36 AI 43 u ? -2.3 LEU 34 AI 41 u ? -0.2 LYS 44 AI 51 u ? -2.4 ALA 39 AI 46 u ? -0.2 +4967 LEU 41 AI 48 u ? THR 37 AI 44 u ? -1.7 ILE 42 AI 49 u ? -0.2 ASN 45 AI 52 u ? -2.2 ALA 39 AI 46 u ? -0.2 +4968 ILE 42 AI 49 u ? LEU 38 AI 45 u ? -2.9 LYS 44 AI 51 u ? -0.2 ALA 46 AI 53 u ? -0.3 LEU 41 AI 48 u ? -0.2 +4969 VAL 43 AI 50 u ? ALA 39 AI 46 u ? -2.3 LYS 44 AI 51 u ? -0.2 ALA 46 AI 53 u ? -0.9 LEU 41 AI 48 u ? -0.2 +4970 LYS 44 AI 51 u ? LYS 40 AI 47 u ? -2.4 ALA 39 AI 46 u ? -0.2 VAL 43 AI 50 u ? -0.2 ILE 42 AI 49 u ? -0.2 +4971 ASN 45 AI 52 u ? LEU 41 AI 48 u ? -2.2 LYS 40 AI 47 u ? -0.2 LYS 44 AI 51 u ? -0.2 VAL 43 AI 50 u ? -0.2 +4972 ALA 46 AI 53 u ? VAL 43 AI 50 u ? -0.9 ILE 42 AI 49 u ? -0.3 TYR 48 AI 55 u ? -0.1 ASN 21 AI 28 u ? -0.1 +4973 PRO 47 AI 54 u ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLU 49 AI 56 u ? -0.3 ASN 21 AI 28 u ? -0.1 +4974 TYR 48 AI 55 u ? THR 78 AI 85 u ? -0.2 ALA 46 AI 53 u ? -0.1 VAL 51 AI 58 u ? -0.1 ASN 21 AI 28 u ? -0.1 +4975 GLU 49 AI 56 u ? PRO 47 AI 54 u ? -0.3 SER 50 AI 57 u ? -0.2 VAL 51 AI 58 u ? -0.3 TYR 48 AI 55 u ? -0.1 +4976 SER 50 AI 57 u ? VAL 51 AI 58 u ? -0.1 THR 76 AI 83 u ? -0.1 ASP 53 AI 60 u ? -1.1 VAL 54 AI 61 u ? -0.3 +4977 VAL 51 AI 58 u ? GLU 49 AI 56 u ? -0.3 GLU 52 AI 59 u ? -0.3 VAL 54 AI 61 u ? -1.8 LEU 55 AI 62 u ? -0.2 +4978 GLU 52 AI 59 u ? ASP 53 AI 60 u ? -0.3 VAL 54 AI 61 u ? -0.2 LEU 55 AI 62 u ? -1.8 VAL 51 AI 58 u ? -0.3 +4979 ASP 53 AI 60 u ? SER 50 AI 57 u ? -1.1 VAL 54 AI 61 u ? -0.3 ASN 56 AI 63 u ? -2.0 GLU 52 AI 59 u ? -0.3 +4980 VAL 54 AI 61 u ? VAL 51 AI 58 u ? -1.8 SER 50 AI 57 u ? -0.3 ILE 57 AI 64 u ? -1.2 ASP 53 AI 60 u ? -0.3 +4981 LEU 55 AI 62 u ? GLU 52 AI 59 u ? -1.8 ASN 56 AI 63 u ? -0.2 VAL 54 AI 61 u ? -0.3 ASP 53 AI 60 u ? -0.2 +4982 ASN 56 AI 63 u ? ASP 53 AI 60 u ? -2.0 GLU 52 AI 59 u ? -0.2 LEU 55 AI 62 u ? -0.2 VAL 54 AI 61 u ? -0.2 +4983 ILE 57 AI 64 u ? VAL 54 AI 61 u ? -1.2 PRO 58 AI 65 u ? -0.1 LEU 60 AI 67 u ? -1.2 ILE 42 AI 49 u ? -0.1 +4984 PRO 58 AI 65 u ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 57 AI 64 u ? -0.1 ASN 56 AI 63 u ? -0.1 +4985 GLY 59 AI 66 u ? LEU 60 AI 67 u ? -0.3 ASN 56 AI 63 u ? -0.1 THR 61 AI 68 u ? -0.1 ILE 57 AI 64 u ? -0.1 +4986 LEU 60 AI 67 u ? ILE 57 AI 64 u ? -1.2 LEU 55 AI 62 u ? -0.1 GLY 59 AI 66 u ? -0.3 GLU 62 AI 69 u ? -0.1 +4987 THR 61 AI 68 u ? GLU 62 AI 69 u ? -0.1 GLY 59 AI 66 u ? -0.1 LYS 65 AI 72 u ? -1.7 GLN 66 AI 73 u ? -0.1 +4988 GLU 62 AI 69 u ? GLN 64 AI 71 u ? -0.2 ARG 63 AI 70 u ? -0.2 GLN 66 AI 73 u ? -1.5 ILE 67 AI 74 u ? -0.1 +4989 ARG 63 AI 70 u ? GLN 64 AI 71 u ? -0.2 LYS 65 AI 72 u ? -0.2 ILE 67 AI 74 u ? -2.3 GLU 62 AI 69 u ? -0.2 +4990 GLN 64 AI 71 u ? LYS 65 AI 72 u ? -0.2 GLN 66 AI 73 u ? -0.2 LEU 68 AI 75 u ? -2.4 ARG 63 AI 70 u ? -0.2 +4991 LYS 65 AI 72 u ? THR 61 AI 68 u ? -1.7 ILE 67 AI 74 u ? -0.2 ARG 69 AI 76 u ? -1.9 GLN 64 AI 71 u ? -0.2 +4992 GLN 66 AI 73 u ? GLU 62 AI 69 u ? -1.5 LEU 68 AI 75 u ? -0.2 GLU 70 AI 77 u ? -2.0 GLN 64 AI 71 u ? -0.2 +4993 ILE 67 AI 74 u ? ARG 63 AI 70 u ? -2.3 LEU 68 AI 75 u ? -0.2 ASN 71 AI 78 u ? -1.0 LYS 65 AI 72 u ? -0.2 +4994 LEU 68 AI 75 u ? GLN 64 AI 71 u ? -2.4 ARG 69 AI 76 u ? -0.2 ASN 71 AI 78 u ? -0.4 LEU 72 AI 79 u ? -0.4 +4995 ARG 69 AI 76 u ? LYS 65 AI 72 u ? -1.9 GLU 70 AI 77 u ? -0.2 LEU 72 AI 79 u ? -0.9 GLU 73 AI 80 u ? -0.3 +4996 GLU 70 AI 77 u ? GLN 66 AI 73 u ? -2.0 ASN 71 AI 78 u ? -0.2 ARG 69 AI 76 u ? -0.2 GLU 73 AI 80 u ? -0.2 +4997 ASN 71 AI 78 u ? ILE 67 AI 74 u ? -1.0 LEU 68 AI 75 u ? -0.4 HIS 74 AI 81 u ? -1.2 PHE 75 AI 82 u ? -0.3 +4998 LEU 72 AI 79 u ? ARG 69 AI 76 u ? -0.9 LEU 68 AI 75 u ? -0.4 PHE 75 AI 82 u ? -2.3 ASN 71 AI 78 u ? -0.2 +4999 GLU 73 AI 80 u ? ARG 69 AI 76 u ? -0.3 HIS 74 AI 81 u ? -0.3 LEU 72 AI 79 u ? -0.3 ASN 71 AI 78 u ? -0.1 +5000 HIS 74 AI 81 u ? ASN 71 AI 78 u ? -1.2 LYS 17 AI 24 u ? -0.1 ILE 18 AI 25 u ? -1.8 GLU 73 AI 80 u ? -0.3 +5001 PHE 75 AI 82 u ? LEU 72 AI 79 u ? -2.3 ASN 71 AI 78 u ? -0.3 VAL 77 AI 84 u ? -0.3 ASP 19 AI 26 u ? -0.2 +5002 THR 76 AI 83 u ? ILE 18 AI 25 u ? -1.9 HIS 74 AI 81 u ? -0.2 LEU 20 AI 27 u ? -2.6 THR 78 AI 85 u ? -0.4 +5003 VAL 77 AI 84 u ? PHE 75 AI 82 u ? -0.3 ASP 19 AI 26 u ? -0.2 GLU 79 AI 86 u ? -0.3 ALA 13 AI 20 u ? -0.1 +5004 THR 78 AI 85 u ? THR 76 AI 83 u ? -0.4 ALA 13 AI 20 u ? -0.1 TYR 48 AI 55 u ? -0.2 GLU 81 AI 88 u ? -0.1 +5005 GLU 79 AI 86 u ? VAL 77 AI 84 u ? -0.3 VAL 80 AI 87 u ? -0.1 GLU 81 AI 88 u ? -0.1 GLU 49 AI 56 u ? -0.0 +5006 VAL 80 AI 87 u ? GLU 81 AI 88 u ? -0.1 THR 82 AI 89 u ? -0.0 THR 82 AI 89 u ? -0.6 GLU 79 AI 86 u ? -0.1 +5007 GLU 81 AI 88 u ? ASN 21 AI 28 u ? -0.2 THR 82 AI 89 u ? -0.1 LEU 84 AI 91 u ? -1.6 VAL 85 AI 92 u ? -1.1 +5008 THR 82 AI 89 u ? VAL 80 AI 87 u ? -0.6 ALA 83 AI 90 u ? -0.3 GLU 86 AI 93 u ? -2.1 VAL 85 AI 92 u ? -0.4 +5009 ALA 83 AI 90 u ? LEU 84 AI 91 u ? -0.2 VAL 85 AI 92 u ? -0.2 ALA 151 AG 154 o ? -0.4 THR 82 AI 89 u ? -0.3 +5010 LEU 84 AI 91 u ? GLU 81 AI 88 u ? -1.6 VAL 85 AI 92 u ? -0.1 ALA 83 AI 90 u ? -0.2 THR 82 AI 89 u ? -0.2 +5011 VAL 85 AI 92 u ? GLU 81 AI 88 u ? -1.1 THR 82 AI 89 u ? -0.4 GLY 88 AI 95 u ? -0.7 ARG 90 AI 97 u ? -0.3 +5012 GLU 86 AI 93 u ? THR 82 AI 89 u ? -2.1 GLY 87 AI 94 u ? -0.2 ASP 89 AI 96 u ? -1.8 ALA 151 AG 154 o ? -0.1 +5013 GLY 87 AI 94 u ? GLY 88 AI 95 u ? -0.3 SER 312 W 330 c ? -0.2 GLU 86 AI 93 u ? -0.2 LYS 321 W 339 c ? -0.1 +5014 GLY 88 AI 95 u ? VAL 85 AI 92 u ? -0.7 ALA 313 W 331 c ? -0.1 TYR 91 AI 98 u ? -2.0 ASN 92 AI 99 u ? -1.2 +5015 ASP 89 AI 96 u ? GLU 86 AI 93 u ? -1.8 ARG 90 AI 97 u ? -0.3 VAL 85 AI 92 u ? -0.1 GLY 87 AI 94 u ? -0.1 +5016 ARG 90 AI 97 u ? VAL 85 AI 92 u ? -0.3 TYR 91 AI 98 u ? -0.2 ILE 25 AI 32 u ? -3.1 ASP 89 AI 96 u ? -0.3 +5017 TYR 91 AI 98 u ? GLY 88 AI 95 u ? -2.0 ASN 92 AI 99 u ? -0.3 ASN 93 AI 100 u ? -0.3 ASP 89 AI 96 u ? -0.2 +5018 ASN 92 AI 99 u ? GLY 88 AI 95 u ? -1.2 GLY 87 AI 94 u ? -0.1 TYR 91 AI 98 u ? -0.3 ARG 90 AI 97 u ? -0.1 +5019 ASN 93 AI 100 u ? LEU 95 AI 102 u ? -0.3 TYR 91 AI 98 u ? -0.3 ALA 385 V 386 b ? -0.1 ALA 340 X 351 d ? -0.1 +5020 GLY 94 AI 101 u ? LEU 95 AI 102 u ? -0.2 ASN 328 U 338 a ? -0.2 ALA 340 X 351 d ? -1.9 TYR 96 AI 103 u ? -0.5 +5021 LEU 95 AI 102 u ? ASN 339 X 350 d ? -0.1 LEU 341 X 352 d ? -0.1 ASN 93 AI 100 u ? -0.3 GLY 94 AI 101 u ? -0.2 +5022 TYR 96 AI 103 u ? GLY 94 AI 101 u ? -0.5 ALA 340 X 351 d ? -0.3 LEU 341 X 352 d ? -0.1 ALA 340 X 351 d ? -0.0 +5023 LYS 97 AI 104 u ? LEU 95 AI 102 u ? -0.1 ALA 340 X 351 d ? -0.1 LYS 134 AJ 134 v ? -0.3 GLY 133 AJ 133 v ? -0.1 +5024 ALA 1 AJ 1 v ? SER 49 Y 54 e ? -0.2 TYR 50 Y 55 e ? -0.2 LYS 300 U 310 a ? -0.4 LEU 3 AJ 3 v ? -0.3 +5025 GLU 2 AJ 2 v ? ALA 299 U 309 a ? -0.2 LYS 300 U 310 a ? -0.1 THR 4 AJ 4 v ? -1.3 LYS 300 U 310 a ? -0.2 +5026 LEU 3 AJ 3 v ? ALA 299 U 309 a ? -0.5 ALA 1 AJ 1 v ? -0.3 GLU 23 AJ 23 v ? -0.1 LYS 300 U 310 a ? -0.0 +5027 THR 4 AJ 4 v ? GLU 2 AJ 2 v ? -1.3 GLN 53 Y 58 e ? -0.1 LEU 8 AJ 8 v ? -1.7 THR 9 AJ 9 v ? -0.1 +5028 PRO 5 AJ 5 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 9 AJ 9 v ? -0.2 LEU 21 AJ 21 v ? -0.2 +5029 GLU 6 AJ 6 v ? VAL 7 AJ 7 v ? -0.2 LEU 8 AJ 8 v ? -0.2 THR 9 AJ 9 v ? -1.3 LEU 3 AJ 3 v ? -0.1 +5030 VAL 7 AJ 7 v ? LEU 8 AJ 8 v ? -0.3 GLU 2 AJ 2 v ? -0.1 GLU 6 AJ 6 v ? -0.2 LYS 124 AJ 124 v ? -0.1 +5031 LEU 8 AJ 8 v ? THR 4 AJ 4 v ? -1.7 LEU 21 AJ 21 v ? -0.1 LEU 21 AJ 21 v ? -2.7 VAL 10 AJ 10 v ? -0.6 +5032 THR 9 AJ 9 v ? GLU 6 AJ 6 v ? -1.3 THR 20 AJ 20 v ? -0.2 THR 20 AJ 20 v ? -0.2 THR 4 AJ 4 v ? -0.0 +5033 VAL 10 AJ 10 v ? ILE 19 AJ 19 v ? -2.3 LEU 8 AJ 8 v ? -0.6 ILE 19 AJ 19 v ? -2.2 LEU 12 AJ 12 v ? -0.2 +5034 PRO 11 AJ 11 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 69 AJ 69 v ? -2.1 THR 18 AJ 18 v ? -0.3 +5035 LEU 12 AJ 12 v ? LYS 17 AJ 17 v ? -3.0 ASN 68 AJ 68 v ? -0.2 GLU 70 AJ 70 v ? -2.6 SER 14 AJ 14 v ? -0.2 +5036 ASN 13 AJ 13 v ? LYS 17 AJ 17 v ? -1.2 ILE 69 AJ 69 v ? -0.2 GLY 16 AJ 16 v ? -0.9 LEU 12 AJ 12 v ? -0.2 +5037 SER 14 AJ 14 v ? LEU 12 AJ 12 v ? -0.2 GLU 15 AJ 15 v ? -0.2 ARG 66 AJ 66 v ? -0.0 ASP 67 AJ 67 v ? -0.0 +5038 GLU 15 AJ 15 v ? LYS 17 AJ 17 v ? -0.1 GLY 16 AJ 16 v ? -0.0 SER 14 AJ 14 v ? -0.2 ? ? ? ? ? ? ? +5039 GLY 16 AJ 16 v ? ASN 13 AJ 13 v ? -0.9 LYS 17 AJ 17 v ? -0.3 SER 14 AJ 14 v ? -0.1 GLU 15 AJ 15 v ? -0.0 +5040 LYS 17 AJ 17 v ? PRO 11 AJ 11 v ? -0.1 THR 18 AJ 18 v ? -0.1 LEU 12 AJ 12 v ? -3.0 ASN 13 AJ 13 v ? -1.2 +5041 THR 18 AJ 18 v ? PRO 11 AJ 11 v ? -0.3 LEU 12 AJ 12 v ? -0.2 THR 20 AJ 20 v ? -0.3 LYS 17 AJ 17 v ? -0.1 +5042 ILE 19 AJ 19 v ? VAL 10 AJ 10 v ? -2.2 LYS 17 AJ 17 v ? -0.2 VAL 10 AJ 10 v ? -2.3 LEU 21 AJ 21 v ? -0.6 +5043 THR 20 AJ 20 v ? THR 18 AJ 18 v ? -0.3 THR 9 AJ 9 v ? -0.2 THR 9 AJ 9 v ? -0.2 THR 22 AJ 22 v ? -0.2 +5044 LEU 21 AJ 21 v ? LEU 8 AJ 8 v ? -2.7 ILE 19 AJ 19 v ? -0.6 GLU 23 AJ 23 v ? -0.2 LEU 8 AJ 8 v ? -0.1 +5045 THR 22 AJ 22 v ? THR 20 AJ 20 v ? -0.2 GLU 23 AJ 23 v ? -0.1 TYR 26 AJ 26 v ? -2.1 LEU 27 AJ 27 v ? -0.1 +5046 GLU 23 AJ 23 v ? LYS 24 AJ 24 v ? -0.2 GLN 25 AJ 25 v ? -0.2 LEU 27 AJ 27 v ? -2.2 GLU 28 AJ 28 v ? -0.2 +5047 LYS 24 AJ 24 v ? TYR 26 AJ 26 v ? -0.2 GLN 25 AJ 25 v ? -0.2 GLU 28 AJ 28 v ? -2.0 GLU 23 AJ 23 v ? -0.2 +5048 GLN 25 AJ 25 v ? LEU 27 AJ 27 v ? -0.2 TYR 26 AJ 26 v ? -0.2 GLY 29 AJ 29 v ? -2.8 LYS 24 AJ 24 v ? -0.2 +5049 TYR 26 AJ 26 v ? THR 22 AJ 22 v ? -2.1 LEU 27 AJ 27 v ? -0.2 LYS 30 AJ 30 v ? -1.9 LYS 24 AJ 24 v ? -0.2 +5050 LEU 27 AJ 27 v ? GLU 23 AJ 23 v ? -2.2 GLU 28 AJ 28 v ? -0.2 ARG 31 AJ 31 v ? -1.7 TYR 26 AJ 26 v ? -0.2 +5051 GLU 28 AJ 28 v ? LYS 24 AJ 24 v ? -2.0 LYS 30 AJ 30 v ? -0.2 LEU 32 AJ 32 v ? -2.4 LEU 27 AJ 27 v ? -0.2 +5052 GLY 29 AJ 29 v ? GLN 25 AJ 25 v ? -2.8 ALA 114 AJ 114 v ? -0.2 PHE 33 AJ 33 v ? -2.2 LEU 27 AJ 27 v ? -0.2 +5053 LYS 30 AJ 30 v ? TYR 26 AJ 26 v ? -1.9 LEU 32 AJ 32 v ? -0.2 GLN 34 AJ 34 v ? -1.9 GLY 29 AJ 29 v ? -0.2 +5054 ARG 31 AJ 31 v ? LEU 27 AJ 27 v ? -1.7 PHE 33 AJ 33 v ? -0.2 TYR 35 AJ 35 v ? -2.0 GLY 29 AJ 29 v ? -0.2 +5055 LEU 32 AJ 32 v ? GLU 28 AJ 28 v ? -2.4 GLN 34 AJ 34 v ? -0.2 ALA 36 AJ 36 v ? -2.5 CYS 37 AJ 37 v ? -0.3 +5056 PHE 33 AJ 33 v ? GLY 29 AJ 29 v ? -2.2 TYR 35 AJ 35 v ? -0.2 CYS 37 AJ 37 v ? -2.2 ALA 38 AJ 38 v ? -2.0 +5057 GLN 34 AJ 34 v ? LYS 30 AJ 30 v ? -1.9 CYS 37 AJ 37 v ? -0.2 SER 39 AJ 39 v ? -0.3 LEU 32 AJ 32 v ? -0.2 +5058 TYR 35 AJ 35 v ? ARG 31 AJ 31 v ? -2.0 ALA 36 AJ 36 v ? -0.1 PHE 33 AJ 33 v ? -0.2 GLN 34 AJ 34 v ? -0.2 +5059 ALA 36 AJ 36 v ? LEU 32 AJ 32 v ? -2.5 ARG 31 AJ 31 v ? -0.1 PHE 33 AJ 33 v ? -0.2 GLN 34 AJ 34 v ? -0.2 +5060 CYS 37 AJ 37 v ? PHE 33 AJ 33 v ? -2.2 LEU 32 AJ 32 v ? -0.3 HIS 41 AJ 41 v ? -2.6 CYS 40 AJ 40 v ? -1.4 +5061 ALA 38 AJ 38 v ? PHE 33 AJ 33 v ? -2.0 SER 39 AJ 39 v ? -0.3 VAL 42 AJ 42 v ? -2.0 VAL 399 W 417 c ? -0.1 +5062 SER 39 AJ 39 v ? GLN 34 AJ 34 v ? -0.3 CYS 40 AJ 40 v ? -0.2 ALA 38 AJ 38 v ? -0.3 CYS 37 AJ 37 v ? -0.1 +5063 CYS 40 AJ 40 v ? CYS 37 AJ 37 v ? -1.4 LYS 47 AJ 47 v ? -0.1 LYS 47 AJ 47 v ? -2.4 ALA 38 AJ 38 v ? -0.2 +5064 HIS 41 AJ 41 v ? CYS 37 AJ 37 v ? -2.6 THR 46 AJ 46 v ? -0.2 GLY 44 AJ 44 v ? -2.6 ALA 38 AJ 38 v ? -0.2 +5065 VAL 42 AJ 42 v ? ALA 38 AJ 38 v ? -2.0 GLY 43 AJ 43 v ? -0.3 ILE 45 AJ 45 v ? -1.3 GLY 131 AJ 131 v ? -0.1 +5066 GLY 43 AJ 43 v ? GLY 44 AJ 44 v ? -0.2 ASN 397 W 415 c ? -0.1 GLY 131 AJ 131 v ? -3.3 GLY 132 AJ 132 v ? -0.4 +5067 GLY 44 AJ 44 v ? HIS 41 AJ 41 v ? -2.6 ILE 45 AJ 45 v ? -0.3 LEU 54 AJ 54 v ? -3.0 GLY 43 AJ 43 v ? -0.2 +5068 ILE 45 AJ 45 v ? VAL 42 AJ 42 v ? -1.3 ASP 53 AJ 53 v ? -0.2 LYS 47 AJ 47 v ? -0.4 GLY 44 AJ 44 v ? -0.3 +5069 THR 46 AJ 46 v ? GLY 44 AJ 44 v ? -0.1 LYS 47 AJ 47 v ? -0.1 ASN 49 AJ 49 v ? -0.9 HIS 41 AJ 41 v ? -0.2 +5070 LYS 47 AJ 47 v ? CYS 40 AJ 40 v ? -2.4 ILE 45 AJ 45 v ? -0.4 THR 46 AJ 46 v ? -0.1 HIS 41 AJ 41 v ? -0.1 +5071 THR 48 AJ 48 v ? ASN 49 AJ 49 v ? -0.2 CYS 40 AJ 40 v ? -0.1 LYS 47 AJ 47 v ? -0.3 ARG 302 W 320 c ? -0.1 +5072 ASN 49 AJ 49 v ? THR 46 AJ 46 v ? -0.9 CYS 40 AJ 40 v ? -0.2 LEU 52 AJ 52 v ? -2.1 THR 48 AJ 48 v ? -0.2 +5073 PRO 50 AJ 50 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LYS 47 AJ 47 v ? -0.1 THR 46 AJ 46 v ? -0.1 +5074 SER 51 AJ 51 v ? LEU 52 AJ 52 v ? -0.1 ILE 45 AJ 45 v ? -0.1 ASP 53 AJ 53 v ? -0.5 ILE 29 AI 36 u ? -0.0 +5075 LEU 52 AJ 52 v ? ASN 49 AJ 49 v ? -2.1 THR 46 AJ 46 v ? -0.2 LEU 54 AJ 54 v ? -0.2 ASN 49 AJ 49 v ? -0.2 +5076 ASP 53 AJ 53 v ? SER 51 AJ 51 v ? -0.5 ILE 45 AJ 45 v ? -0.1 ILE 45 AJ 45 v ? -0.2 GLY 44 AJ 44 v ? -0.1 +5077 LEU 54 AJ 54 v ? GLY 44 AJ 44 v ? -3.0 LEU 52 AJ 52 v ? -0.2 THR 56 AJ 56 v ? -0.1 ILE 45 AJ 45 v ? -0.1 +5078 ARG 55 AJ 55 v ? GLY 44 AJ 44 v ? -0.2 THR 56 AJ 56 v ? -0.1 LEU 59 AJ 59 v ? -2.4 THR 58 AJ 58 v ? -0.2 +5079 THR 56 AJ 56 v ? GLU 57 AJ 57 v ? -0.2 THR 58 AJ 58 v ? -0.2 ALA 60 AJ 60 v ? -1.9 ARG 66 AJ 66 v ? -0.1 +5080 GLU 57 AJ 57 v ? THR 58 AJ 58 v ? -0.2 LEU 59 AJ 59 v ? -0.2 LEU 61 AJ 61 v ? -1.0 THR 56 AJ 56 v ? -0.2 +5081 THR 58 AJ 58 v ? ARG 55 AJ 55 v ? -0.2 LEU 59 AJ 59 v ? -0.2 LEU 61 AJ 61 v ? -0.4 ALA 62 AJ 62 v ? -0.3 +5082 LEU 59 AJ 59 v ? ARG 55 AJ 55 v ? -2.4 ALA 60 AJ 60 v ? -0.2 ARG 66 AJ 66 v ? -2.9 ALA 62 AJ 62 v ? -0.7 +5083 ALA 60 AJ 60 v ? THR 56 AJ 56 v ? -1.9 ARG 66 AJ 66 v ? -0.2 LEU 59 AJ 59 v ? -0.2 THR 58 AJ 58 v ? -0.2 +5084 LEU 61 AJ 61 v ? GLU 57 AJ 57 v ? -1.0 THR 58 AJ 58 v ? -0.4 GLY 33 AI 40 u ? -0.5 ALA 60 AJ 60 v ? -0.2 +5085 ALA 62 AJ 62 v ? LEU 59 AJ 59 v ? -0.7 THR 58 AJ 58 v ? -0.3 ASP 83 AJ 83 v ? -0.2 ASP 67 AJ 67 v ? -0.1 +5086 THR 63 AJ 63 v ? TYR 82 AJ 82 v ? -1.9 THR 81 AJ 81 v ? -0.3 LEU 61 AJ 61 v ? -0.1 GLY 84 AJ 84 v ? -0.0 +5087 PRO 64 AJ 64 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? THR 63 AJ 63 v ? -0.2 THR 80 AJ 80 v ? -0.1 +5088 PRO 65 AJ 65 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 60 AJ 60 v ? -0.2 THR 63 AJ 63 v ? -0.1 +5089 ARG 66 AJ 66 v ? LEU 59 AJ 59 v ? -2.9 THR 56 AJ 56 v ? -0.1 ASN 68 AJ 68 v ? -0.4 ALA 60 AJ 60 v ? -0.2 +5090 ASP 67 AJ 67 v ? LEU 59 AJ 59 v ? -0.5 ALA 62 AJ 62 v ? -0.1 ILE 69 AJ 69 v ? -0.3 ARG 66 AJ 66 v ? -0.1 +5091 ASN 68 AJ 68 v ? ARG 66 AJ 66 v ? -0.4 LEU 12 AJ 12 v ? -0.1 LEU 72 AJ 72 v ? -1.8 LEU 12 AJ 12 v ? -0.2 +5092 ILE 69 AJ 69 v ? PRO 11 AJ 11 v ? -2.1 ASP 67 AJ 67 v ? -0.3 VAL 73 AJ 73 v ? -2.7 ASP 74 AJ 74 v ? -0.2 +5093 GLU 70 AJ 70 v ? LEU 12 AJ 12 v ? -2.6 GLY 71 AJ 71 v ? -0.2 ASP 74 AJ 74 v ? -2.1 ILE 69 AJ 69 v ? -0.2 +5094 GLY 71 AJ 71 v ? LEU 12 AJ 12 v ? -0.2 VAL 73 AJ 73 v ? -0.2 TYR 75 AJ 75 v ? -1.7 GLU 70 AJ 70 v ? -0.2 +5095 LEU 72 AJ 72 v ? ASN 68 AJ 68 v ? -1.8 ASP 74 AJ 74 v ? -0.2 MET 76 AJ 76 v ? -1.5 GLU 70 AJ 70 v ? -0.2 +5096 VAL 73 AJ 73 v ? ILE 69 AJ 69 v ? -2.7 TYR 75 AJ 75 v ? -0.2 LYS 77 AJ 77 v ? -0.6 GLY 71 AJ 71 v ? -0.2 +5097 ASP 74 AJ 74 v ? GLU 70 AJ 70 v ? -2.1 TYR 75 AJ 75 v ? -0.2 ASN 78 AJ 78 v ? -3.3 LYS 77 AJ 77 v ? -0.9 +5098 TYR 75 AJ 75 v ? GLY 71 AJ 71 v ? -1.7 MET 76 AJ 76 v ? -0.3 ASP 74 AJ 74 v ? -0.2 VAL 73 AJ 73 v ? -0.2 +5099 MET 76 AJ 76 v ? LEU 72 AJ 72 v ? -1.5 ASN 78 AJ 78 v ? -0.2 LEU 95 AJ 95 v ? -1.8 TYR 75 AJ 75 v ? -0.3 +5100 LYS 77 AJ 77 v ? ASP 74 AJ 74 v ? -0.9 VAL 73 AJ 73 v ? -0.6 ARG 96 AJ 96 v ? -1.2 TYR 75 AJ 75 v ? -0.2 +5101 ASN 78 AJ 78 v ? ASP 74 AJ 74 v ? -3.3 LEU 95 AJ 95 v ? -0.1 MET 76 AJ 76 v ? -0.2 LYS 77 AJ 77 v ? -0.1 +5102 PRO 79 AJ 79 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ILE 88 AJ 88 v ? -2.0 ALA 89 AJ 89 v ? -0.5 +5103 THR 80 AJ 80 v ? GLU 87 AJ 87 v ? -0.2 ILE 88 AJ 88 v ? -0.2 GLU 87 AJ 87 v ? -0.2 GLU 85 AJ 85 v ? -0.0 +5104 THR 81 AJ 81 v ? GLN 86 AJ 86 v ? -1.9 PRO 79 AJ 79 v ? -0.3 GLY 84 AJ 84 v ? -1.9 THR 63 AJ 63 v ? -0.3 +5105 TYR 82 AJ 82 v ? ASP 83 AJ 83 v ? -0.3 GLY 84 AJ 84 v ? -0.1 THR 63 AJ 63 v ? -1.9 GLY 33 AI 40 u ? -0.3 +5106 ASP 83 AJ 83 v ? ALA 62 AJ 62 v ? -0.2 TYR 35 AI 42 u ? -0.1 TYR 82 AJ 82 v ? -0.3 ALA 62 AJ 62 v ? -0.0 +5107 GLY 84 AJ 84 v ? THR 81 AJ 81 v ? -1.9 GLN 86 AJ 86 v ? -0.2 TYR 82 AJ 82 v ? -0.1 GLU 87 AJ 87 v ? -0.0 +5108 GLU 85 AJ 85 v ? GLN 86 AJ 86 v ? -0.1 THR 80 AJ 80 v ? -0.0 GLU 87 AJ 87 v ? -0.3 GLY 84 AJ 84 v ? -0.1 +5109 GLN 86 AJ 86 v ? THR 81 AJ 81 v ? -0.0 ILE 88 AJ 88 v ? -0.0 THR 81 AJ 81 v ? -1.9 ILE 88 AJ 88 v ? -0.4 +5110 GLU 87 AJ 87 v ? GLU 85 AJ 85 v ? -0.3 THR 80 AJ 80 v ? -0.2 THR 80 AJ 80 v ? -0.2 GLU 90 AJ 90 v ? -0.2 +5111 ILE 88 AJ 88 v ? PRO 79 AJ 79 v ? -2.0 GLN 86 AJ 86 v ? -0.4 VAL 91 AJ 91 v ? -2.5 HIS 92 AJ 92 v ? -1.3 +5112 ALA 89 AJ 89 v ? PRO 79 AJ 79 v ? -0.5 GLU 90 AJ 90 v ? -0.3 SER 94 AJ 94 v ? -0.2 ILE 88 AJ 88 v ? -0.1 +5113 GLU 90 AJ 90 v ? VAL 91 AJ 91 v ? -0.2 GLU 87 AJ 87 v ? -0.2 ALA 89 AJ 89 v ? -0.3 ARG 372 W 390 c ? -0.1 +5114 VAL 91 AJ 91 v ? ILE 88 AJ 88 v ? -2.5 HIS 92 AJ 92 v ? -0.2 ALA 89 AJ 89 v ? -0.2 GLU 90 AJ 90 v ? -0.2 +5115 HIS 92 AJ 92 v ? ILE 88 AJ 88 v ? -1.3 PRO 79 AJ 79 v ? -0.1 VAL 91 AJ 91 v ? -0.2 SER 97 AJ 97 v ? -0.1 +5116 PRO 93 AJ 93 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? LEU 95 AJ 95 v ? -0.3 ALA 98 AJ 98 v ? -0.1 +5117 SER 94 AJ 94 v ? ALA 89 AJ 89 v ? -0.2 PHE 101 AJ 101 v ? -0.1 LYS 77 AJ 77 v ? -0.2 PHE 101 AJ 101 v ? -0.2 +5118 LEU 95 AJ 95 v ? MET 76 AJ 76 v ? -1.8 PRO 93 AJ 93 v ? -0.3 ALA 98 AJ 98 v ? -1.2 LYS 77 AJ 77 v ? -0.2 +5119 ARG 96 AJ 96 v ? LYS 77 AJ 77 v ? -1.2 SER 97 AJ 97 v ? -0.3 ASP 99 AJ 99 v ? -0.2 LEU 95 AJ 95 v ? -0.2 +5120 SER 97 AJ 97 v ? ALA 98 AJ 98 v ? -0.1 HIS 92 AJ 92 v ? -0.1 PHE 101 AJ 101 v ? -1.4 ILE 100 AJ 100 v ? -0.7 +5121 ALA 98 AJ 98 v ? LEU 95 AJ 95 v ? -1.2 ASP 99 AJ 99 v ? -0.2 ARG 105 AJ 105 v ? -0.3 SER 97 AJ 97 v ? -0.1 +5122 ASP 99 AJ 99 v ? ARG 96 AJ 96 v ? -0.2 ILE 100 AJ 100 v ? -0.2 ALA 98 AJ 98 v ? -0.2 SER 97 AJ 97 v ? -0.1 +5123 ILE 100 AJ 100 v ? SER 97 AJ 97 v ? -0.7 PHE 101 AJ 101 v ? -0.2 ALA 98 AJ 98 v ? -0.2 ASP 99 AJ 99 v ? -0.2 +5124 PHE 101 AJ 101 v ? SER 97 AJ 97 v ? -1.4 SER 94 AJ 94 v ? -0.2 MET 104 AJ 104 v ? -2.0 ILE 100 AJ 100 v ? -0.2 +5125 PRO 102 AJ 102 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ARG 105 AJ 105 v ? -1.9 ASN 106 AJ 106 v ? -0.4 +5126 LYS 103 AJ 103 v ? MET 104 AJ 104 v ? -0.3 GLU 60 W 78 c ? -0.2 ASN 106 AJ 106 v ? -0.3 LYS 61 W 79 c ? -0.1 +5127 MET 104 AJ 104 v ? PHE 101 AJ 101 v ? -2.0 ARG 105 AJ 105 v ? -0.2 LEU 107 AJ 107 v ? -1.2 LYS 103 AJ 103 v ? -0.3 +5128 ARG 105 AJ 105 v ? PRO 102 AJ 102 v ? -1.9 ALA 98 AJ 98 v ? -0.3 MET 104 AJ 104 v ? -0.2 LYS 103 AJ 103 v ? -0.1 +5129 ASN 106 AJ 106 v ? PRO 102 AJ 102 v ? -0.4 LYS 103 AJ 103 v ? -0.3 THR 108 AJ 108 v ? -0.5 ARG 105 AJ 105 v ? -0.3 +5130 LEU 107 AJ 107 v ? MET 104 AJ 104 v ? -1.2 ASP 111 AJ 111 v ? -0.0 GLU 109 AJ 109 v ? -0.2 MET 104 AJ 104 v ? -0.0 +5131 THR 108 AJ 108 v ? ASN 106 AJ 106 v ? -0.5 GLU 109 AJ 109 v ? -0.1 LEU 112 AJ 112 v ? -1.6 ASP 111 AJ 111 v ? -0.4 +5132 GLU 109 AJ 109 v ? LYS 110 AJ 110 v ? -0.2 ASP 111 AJ 111 v ? -0.2 VAL 113 AJ 113 v ? -1.5 ALA 114 AJ 114 v ? -0.1 +5133 LYS 110 AJ 110 v ? ASP 111 AJ 111 v ? -0.2 LEU 112 AJ 112 v ? -0.2 ALA 114 AJ 114 v ? -1.8 GLU 109 AJ 109 v ? -0.2 +5134 ASP 111 AJ 111 v ? THR 108 AJ 108 v ? -0.4 VAL 113 AJ 113 v ? -0.2 ILE 115 AJ 115 v ? -2.4 LYS 110 AJ 110 v ? -0.2 +5135 LEU 112 AJ 112 v ? THR 108 AJ 108 v ? -1.6 ALA 114 AJ 114 v ? -0.2 ALA 116 AJ 116 v ? -2.6 LYS 110 AJ 110 v ? -0.2 +5136 VAL 113 AJ 113 v ? GLU 109 AJ 109 v ? -1.5 ILE 115 AJ 115 v ? -0.2 GLY 117 AJ 117 v ? -2.7 ASP 111 AJ 111 v ? -0.2 +5137 ALA 114 AJ 114 v ? LYS 110 AJ 110 v ? -1.8 ALA 116 AJ 116 v ? -0.2 HIS 118 AJ 118 v ? -2.2 GLY 29 AJ 29 v ? -0.2 +5138 ILE 115 AJ 115 v ? ASP 111 AJ 111 v ? -2.4 ALA 116 AJ 116 v ? -0.2 ILE 119 AJ 119 v ? -1.9 ALA 114 AJ 114 v ? -0.2 +5139 ALA 116 AJ 116 v ? LEU 112 AJ 112 v ? -2.6 GLY 117 AJ 117 v ? -0.2 LEU 120 AJ 120 v ? -1.6 ILE 115 AJ 115 v ? -0.2 +5140 GLY 117 AJ 117 v ? VAL 113 AJ 113 v ? -2.7 HIS 118 AJ 118 v ? -0.2 VAL 121 AJ 121 v ? -2.1 ILE 115 AJ 115 v ? -0.2 +5141 HIS 118 AJ 118 v ? ALA 114 AJ 114 v ? -2.2 ILE 119 AJ 119 v ? -0.2 GLU 122 AJ 122 v ? -2.5 GLY 117 AJ 117 v ? -0.2 +5142 ILE 119 AJ 119 v ? ILE 115 AJ 115 v ? -1.9 LEU 120 AJ 120 v ? -0.2 HIS 118 AJ 118 v ? -0.2 GLY 117 AJ 117 v ? -0.2 +5143 LEU 120 AJ 120 v ? ALA 116 AJ 116 v ? -1.6 GLY 117 AJ 117 v ? -0.2 LYS 124 AJ 124 v ? -0.3 ILE 119 AJ 119 v ? -0.2 +5144 VAL 121 AJ 121 v ? GLY 117 AJ 117 v ? -2.1 ALA 116 AJ 116 v ? -0.2 LYS 124 AJ 124 v ? -1.3 ILE 125 AJ 125 v ? -1.0 +5145 GLU 122 AJ 122 v ? HIS 118 AJ 118 v ? -2.5 PRO 123 AJ 123 v ? -0.3 LEU 126 AJ 126 v ? -3.1 ILE 125 AJ 125 v ? -0.6 +5146 PRO 123 AJ 123 v ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 127 AJ 127 v ? -2.0 GLU 122 AJ 122 v ? -0.3 +5147 LYS 124 AJ 124 v ? VAL 121 AJ 121 v ? -1.3 LEU 120 AJ 120 v ? -0.3 GLU 122 AJ 122 v ? -0.2 VAL 121 AJ 121 v ? -0.1 +5148 ILE 125 AJ 125 v ? VAL 121 AJ 121 v ? -1.0 GLU 122 AJ 122 v ? -0.6 LYS 124 AJ 124 v ? -0.1 GLU 122 AJ 122 v ? -0.1 +5149 LEU 126 AJ 126 v ? GLU 122 AJ 122 v ? -3.1 GLY 127 AJ 127 v ? -0.2 LYS 129 AJ 129 v ? -1.7 LYS 124 AJ 124 v ? -0.2 +5150 GLY 127 AJ 127 v ? PRO 123 AJ 123 v ? -2.0 GLU 122 AJ 122 v ? -0.3 TRP 130 AJ 130 v ? -1.4 LEU 126 AJ 126 v ? -0.2 +5151 ASP 128 AJ 128 v ? LYS 129 AJ 129 v ? -0.3 GLY 131 AJ 131 v ? -0.1 GLY 127 AJ 127 v ? -0.3 GLY 132 AJ 132 v ? -0.2 +5152 LYS 129 AJ 129 v ? LEU 126 AJ 126 v ? -1.7 GLY 131 AJ 131 v ? -0.1 GLY 132 AJ 132 v ? -1.1 GLY 133 AJ 133 v ? -0.6 +5153 TRP 130 AJ 130 v ? GLY 127 AJ 127 v ? -1.4 GLY 131 AJ 131 v ? -0.3 GLY 44 AJ 44 v ? -0.2 GLY 43 AJ 43 v ? -0.1 +5154 GLY 131 AJ 131 v ? GLY 43 AJ 43 v ? -3.3 LYS 129 AJ 129 v ? -0.6 TRP 130 AJ 130 v ? -0.3 GLY 44 AJ 44 v ? -0.2 +5155 GLY 132 AJ 132 v ? LYS 129 AJ 129 v ? -1.1 GLY 43 AJ 43 v ? -0.4 VAL 135 AJ 135 v ? -0.5 TRP 130 AJ 130 v ? -0.1 +5156 GLY 133 AJ 133 v ? LYS 129 AJ 129 v ? -0.6 GLY 43 AJ 43 v ? -0.3 TYR 136 AJ 136 v ? -1.6 GLY 132 AJ 132 v ? -0.2 +5157 LYS 134 AJ 134 v ? VAL 135 AJ 135 v ? -0.3 LYS 97 AI 104 u ? -0.3 TYR 137 AJ 137 v ? -1.2 GLY 133 AJ 133 v ? -0.2 +5158 VAL 135 AJ 135 v ? GLY 132 AJ 132 v ? -0.5 TYR 136 AJ 136 v ? -0.2 LYS 134 AJ 134 v ? -0.3 GLY 133 AJ 133 v ? -0.1 +5159 TYR 136 AJ 136 v ? GLY 133 AJ 133 v ? -1.6 TYR 137 AJ 137 v ? -0.2 VAL 135 AJ 135 v ? -0.2 LYS 134 AJ 134 v ? -0.2 +5160 TYR 137 AJ 137 v ? LYS 134 AJ 134 v ? -1.2 GLY 132 AJ 132 v ? -0.1 TYR 136 AJ 136 v ? -0.2 VAL 135 AJ 135 v ? -0.1 +5161 THR 1 AK 2 x ? ILE 2 AK 3 x ? -0.1 LEU 6 AK 7 x ? -0.0 THR 3 AK 4 x ? -1.1 ASP 55 AA 56 h ? -0.3 +5162 ILE 2 AK 3 x ? LEU 54 AA 55 h ? -0.1 LEU 6 AK 7 x ? -0.1 THR 1 AK 2 x ? -0.1 LEU 54 AA 55 h ? -0.1 +5163 THR 3 AK 4 x ? THR 1 AK 2 x ? -1.1 ILE 53 AA 54 h ? -0.1 LYS 7 AK 8 x ? -2.1 LEU 6 AK 7 x ? -0.4 +5164 PRO 4 AK 5 x ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? GLY 8 AK 9 x ? -2.3 THR 3 AK 4 x ? -0.1 +5165 SER 5 AK 6 x ? ILE 53 AA 54 h ? -0.3 LYS 7 AK 8 x ? -0.2 PHE 9 AK 10 x ? -2.5 LEU 54 AA 55 h ? -0.1 +5166 LEU 6 AK 7 x ? THR 3 AK 4 x ? -0.4 ILE 53 AA 54 h ? -0.3 PHE 10 AK 11 x ? -2.0 SER 5 AK 6 x ? -0.2 +5167 LYS 7 AK 8 x ? THR 3 AK 4 x ? -2.1 PHE 9 AK 10 x ? -0.2 ILE 11 AK 12 x ? -2.3 SER 5 AK 6 x ? -0.2 +5168 GLY 8 AK 9 x ? PRO 4 AK 5 x ? -2.3 PHE 9 AK 10 x ? -0.2 GLY 12 AK 13 x ? -2.3 LEU 6 AK 7 x ? -0.2 +5169 PHE 9 AK 10 x ? SER 5 AK 6 x ? -2.5 PHE 10 AK 11 x ? -0.2 LEU 13 AK 14 x ? -2.2 GLY 8 AK 9 x ? -0.2 +5170 PHE 10 AK 11 x ? LEU 6 AK 7 x ? -2.0 GLY 12 AK 13 x ? -0.2 LEU 14 AK 15 x ? -3.0 SER 15 AK 16 x ? -0.2 +5171 ILE 11 AK 12 x ? LYS 7 AK 8 x ? -2.3 LEU 13 AK 14 x ? -0.2 SER 15 AK 16 x ? -2.6 PHE 9 AK 10 x ? -0.2 +5172 GLY 12 AK 13 x ? GLY 8 AK 9 x ? -2.3 LEU 14 AK 15 x ? -0.2 GLY 16 AK 17 x ? -2.5 PHE 10 AK 11 x ? -0.2 +5173 LEU 13 AK 14 x ? PHE 9 AK 10 x ? -2.2 LEU 14 AK 15 x ? -0.2 ALA 17 AK 18 x ? -2.3 ILE 11 AK 12 x ? -0.2 +5174 LEU 14 AK 15 x ? PHE 10 AK 11 x ? -3.0 GLY 16 AK 17 x ? -0.2 VAL 18 AK 19 x ? -2.6 LEU 13 AK 14 x ? -0.2 +5175 SER 15 AK 16 x ? ILE 11 AK 12 x ? -2.6 PHE 10 AK 11 x ? -0.2 VAL 19 AK 20 x ? -2.6 LEU 13 AK 14 x ? -0.2 +5176 GLY 16 AK 17 x ? GLY 12 AK 13 x ? -2.5 VAL 18 AK 19 x ? -0.2 LEU 20 AK 21 x ? -2.9 GLY 21 AK 22 x ? -0.2 +5177 ALA 17 AK 18 x ? LEU 13 AK 14 x ? -2.3 VAL 19 AK 20 x ? -0.2 GLY 21 AK 22 x ? -3.4 SER 15 AK 16 x ? -0.2 +5178 VAL 18 AK 19 x ? LEU 14 AK 15 x ? -2.6 LEU 20 AK 21 x ? -0.2 LEU 22 AK 23 x ? -2.7 THR 23 AK 24 x ? -0.3 +5179 VAL 19 AK 20 x ? SER 15 AK 16 x ? -2.6 LEU 20 AK 21 x ? -0.2 THR 23 AK 24 x ? -2.2 ALA 17 AK 18 x ? -0.2 +5180 LEU 20 AK 21 x ? GLY 16 AK 17 x ? -2.9 LEU 22 AK 23 x ? -0.2 PHE 24 AK 25 x ? -2.6 ALA 25 AK 26 x ? -0.2 +5181 GLY 21 AK 22 x ? ALA 17 AK 18 x ? -3.4 GLY 16 AK 17 x ? -0.2 ALA 25 AK 26 x ? -2.9 VAL 19 AK 20 x ? -0.2 +5182 LEU 22 AK 23 x ? VAL 18 AK 19 x ? -2.7 PHE 24 AK 25 x ? -0.2 VAL 26 AK 27 x ? -3.2 LEU 27 AK 28 x ? -0.3 +5183 THR 23 AK 24 x ? VAL 19 AK 20 x ? -2.2 VAL 18 AK 19 x ? -0.3 LEU 27 AK 28 x ? -2.5 GLY 21 AK 22 x ? -0.2 +5184 PHE 24 AK 25 x ? LEU 20 AK 21 x ? -2.6 ALA 25 AK 26 x ? -0.2 ILE 28 AK 29 x ? -2.9 ALA 29 AK 30 x ? -0.2 +5185 ALA 25 AK 26 x ? GLY 21 AK 22 x ? -2.9 LEU 20 AK 21 x ? -0.2 ALA 29 AK 30 x ? -2.4 PHE 24 AK 25 x ? -0.2 +5186 VAL 26 AK 27 x ? LEU 22 AK 23 x ? -3.2 ILE 28 AK 29 x ? -0.2 ILE 30 AK 31 x ? -2.7 PHE 24 AK 25 x ? -0.2 +5187 LEU 27 AK 28 x ? THR 23 AK 24 x ? -2.5 LEU 22 AK 23 x ? -0.3 SER 31 AK 32 x ? -2.6 ALA 25 AK 26 x ? -0.2 +5188 ILE 28 AK 29 x ? PHE 24 AK 25 x ? -2.9 ILE 30 AK 31 x ? -0.2 GLN 32 AK 33 x ? -1.7 LEU 27 AK 28 x ? -0.2 +5189 ALA 29 AK 30 x ? ALA 25 AK 26 x ? -2.4 PHE 24 AK 25 x ? -0.2 ILE 33 AK 34 x ? -1.7 GLN 32 AK 33 x ? -0.2 +5190 ILE 30 AK 31 x ? VAL 26 AK 27 x ? -2.7 SER 31 AK 32 x ? -0.2 ASP 34 AK 35 x ? -2.8 ALA 29 AK 30 x ? -0.2 +5191 SER 31 AK 32 x ? LEU 27 AK 28 x ? -2.6 GLN 32 AK 33 x ? -0.2 ILE 30 AK 31 x ? -0.2 ALA 29 AK 30 x ? -0.2 +5192 GLN 32 AK 33 x ? ILE 28 AK 29 x ? -1.7 ALA 29 AK 30 x ? -0.2 LYS 35 AK 36 x ? -0.4 SER 31 AK 32 x ? -0.2 +5193 ILE 33 AK 34 x ? ALA 29 AK 30 x ? -1.7 ASP 34 AK 35 x ? -0.2 LYS 35 AK 36 x ? -1.2 SER 31 AK 32 x ? -0.2 +5194 ASP 34 AK 35 x ? ILE 30 AK 31 x ? -2.8 ALA 29 AK 30 x ? -0.1 ILE 33 AK 34 x ? -0.2 GLN 32 AK 33 x ? -0.1 +5195 LYS 35 AK 36 x ? ILE 33 AK 34 x ? -1.2 GLN 32 AK 33 x ? -0.4 GLN 37 AK 38 x ? -0.3 GLN 32 AK 33 x ? -0.1 +5196 VAL 36 AK 37 x ? SER 31 AK 32 x ? -0.1 ILE 6 X 17 d ? -0.1 ARG 38 AK 39 x ? -0.3 LYS 35 AK 36 x ? -0.1 +5197 GLN 37 AK 38 x ? LYS 35 AK 36 x ? -0.3 THR 503 V 504 b ? -0.1 GLN 496 V 497 b ? -0.2 VAL 36 AK 37 x ? -0.0 +5198 ARG 38 AK 39 x ? VAL 36 AK 37 x ? -0.3 THR 503 V 504 b ? -0.1 ARG 504 V 505 b ? -0.1 GLN 37 AK 38 x ? -0.1 +5199 VAL 1 AL 18 y ? ALA 3 AL 20 y ? -0.2 GLN 4 AL 21 y ? -0.2 LEU 5 AL 22 y ? -1.5 THR 6 AL 23 y ? -0.1 +5200 ILE 2 AL 19 y ? GLN 4 AL 21 y ? -0.2 ALA 3 AL 20 y ? -0.1 THR 6 AL 23 y ? -1.9 MET 7 AL 24 y ? -0.2 +5201 ALA 3 AL 20 y ? LEU 5 AL 22 y ? -0.2 GLN 4 AL 21 y ? -0.2 MET 7 AL 24 y ? -2.8 VAL 1 AL 18 y ? -0.2 +5202 GLN 4 AL 21 y ? LEU 5 AL 22 y ? -0.2 THR 6 AL 23 y ? -0.2 ILE 8 AL 25 y ? -2.4 ALA 3 AL 20 y ? -0.2 +5203 LEU 5 AL 22 y ? VAL 1 AL 18 y ? -1.5 MET 7 AL 24 y ? -0.2 ALA 9 AL 26 y ? -1.2 GLN 4 AL 21 y ? -0.2 +5204 THR 6 AL 23 y ? ILE 2 AL 19 y ? -1.9 ILE 8 AL 25 y ? -0.2 MET 10 AL 27 y ? -2.3 GLN 4 AL 21 y ? -0.2 +5205 MET 7 AL 24 y ? ALA 3 AL 20 y ? -2.8 ILE 8 AL 25 y ? -0.2 ILE 11 AL 28 y ? -2.9 GLY 12 AL 29 y ? -0.3 +5206 ILE 8 AL 25 y ? GLN 4 AL 21 y ? -2.4 ALA 9 AL 26 y ? -0.2 GLY 12 AL 29 y ? -3.0 MET 7 AL 24 y ? -0.2 +5207 ALA 9 AL 26 y ? LEU 5 AL 22 y ? -1.2 ILE 11 AL 28 y ? -0.2 ILE 13 AL 30 y ? -1.4 ILE 8 AL 25 y ? -0.2 +5208 MET 10 AL 27 y ? THR 6 AL 23 y ? -2.3 GLY 12 AL 29 y ? -0.2 ALA 14 AL 31 y ? -1.2 ILE 8 AL 25 y ? -0.2 +5209 ILE 11 AL 28 y ? MET 7 AL 24 y ? -2.9 GLY 12 AL 29 y ? -0.2 GLY 15 AL 32 y ? -0.7 ALA 9 AL 26 y ? -0.2 +5210 GLY 12 AL 29 y ? ILE 8 AL 25 y ? -3.0 MET 7 AL 24 y ? -0.3 MET 10 AL 27 y ? -0.2 ILE 11 AL 28 y ? -0.2 +5211 ILE 13 AL 30 y ? ALA 9 AL 26 y ? -1.4 ALA 14 AL 31 y ? -0.2 MET 17 AL 34 y ? -2.4 GLY 12 AL 29 y ? -0.2 +5212 ALA 14 AL 31 y ? MET 10 AL 27 y ? -1.2 GLY 15 AL 32 y ? -0.2 ILE 18 AL 35 y ? -1.6 ILE 13 AL 30 y ? -0.2 +5213 GLY 15 AL 32 y ? ILE 11 AL 28 y ? -0.7 MET 17 AL 34 y ? -0.2 ILE 19 AL 36 y ? -1.6 ILE 18 AL 35 y ? -0.7 +5214 PRO 16 AL 33 y ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? PHE 20 AL 37 y ? -2.8 GLY 15 AL 32 y ? -0.2 +5215 MET 17 AL 34 y ? ILE 13 AL 30 y ? -2.4 ILE 19 AL 36 y ? -0.2 LEU 21 AL 38 y ? -2.7 GLY 15 AL 32 y ? -0.2 +5216 ILE 18 AL 35 y ? ALA 14 AL 31 y ? -1.6 GLY 15 AL 32 y ? -0.7 LEU 22 AL 39 y ? -2.1 MET 17 AL 34 y ? -0.2 +5217 ILE 19 AL 36 y ? GLY 15 AL 32 y ? -1.6 PHE 20 AL 37 y ? -0.2 ALA 23 AL 40 y ? -2.1 MET 17 AL 34 y ? -0.2 +5218 PHE 20 AL 37 y ? PRO 16 AL 33 y ? -2.8 LEU 22 AL 39 y ? -0.2 VAL 24 AL 41 y ? -2.4 ILE 19 AL 36 y ? -0.2 +5219 LEU 21 AL 38 y ? MET 17 AL 34 y ? -2.7 LEU 22 AL 39 y ? -0.2 ARG 25 AL 42 y ? -2.0 PHE 20 AL 37 y ? -0.2 +5220 LEU 22 AL 39 y ? ILE 18 AL 35 y ? -2.1 VAL 24 AL 41 y ? -0.2 GLY 27 AL 44 y ? -3.3 PHE 20 AL 37 y ? -0.2 +5221 ALA 23 AL 40 y ? ILE 19 AL 36 y ? -2.1 ARG 26 AL 43 y ? -0.2 ARG 26 AL 43 y ? -1.0 LEU 21 AL 38 y ? -0.2 +5222 VAL 24 AL 41 y ? PHE 20 AL 37 y ? -2.4 ARG 25 AL 42 y ? -0.2 LEU 22 AL 39 y ? -0.2 ALA 23 AL 40 y ? -0.2 +5223 ARG 25 AL 42 y ? LEU 21 AL 38 y ? -2.0 PHE 20 AL 37 y ? -0.2 VAL 24 AL 41 y ? -0.2 ALA 23 AL 40 y ? -0.2 +5224 ARG 26 AL 43 y ? ALA 23 AL 40 y ? -1.0 GLY 27 AL 44 y ? -0.1 ALA 23 AL 40 y ? -0.2 LEU 22 AL 39 y ? -0.1 +5225 GLY 27 AL 44 y ? LEU 22 AL 39 y ? -3.3 SER 29 AM 29 z ? -0.1 LEU 29 AL 46 y ? -1.7 SER 29 AM 29 z ? -0.2 +5226 ASN 28 AL 45 y ? ALA 28 AM 28 z ? -2.8 LEU 29 AL 46 y ? -0.2 GLY 27 AL 44 y ? -0.1 SER 29 AM 29 z ? -0.1 +5227 LEU 29 AL 46 y ? GLY 27 AL 44 y ? -1.7 LEU 22 AL 39 y ? -0.2 ASN 28 AL 45 y ? -0.2 VAL 34 AD 43 k ? -0.1 +5228 MET 1 AM 1 z ? THR 2 AM 2 z ? -0.2 PHE 5 AM 5 z ? -0.0 PHE 5 AM 5 z ? -2.3 GLN 6 AM 6 z ? -0.1 +5229 THR 2 AM 2 z ? ILE 3 AM 3 z ? -0.2 LEU 4 AM 4 z ? -0.2 GLN 6 AM 6 z ? -2.5 MET 1 AM 1 z ? -0.2 +5230 ILE 3 AM 3 z ? PHE 5 AM 5 z ? -0.2 LEU 4 AM 4 z ? -0.2 LEU 7 AM 7 z ? -2.2 THR 2 AM 2 z ? -0.2 +5231 LEU 4 AM 4 z ? PHE 5 AM 5 z ? -0.2 GLN 6 AM 6 z ? -0.2 ALA 8 AM 8 z ? -2.2 THR 2 AM 2 z ? -0.2 +5232 PHE 5 AM 5 z ? MET 1 AM 1 z ? -2.3 LEU 7 AM 7 z ? -0.2 LEU 9 AM 9 z ? -2.4 LEU 4 AM 4 z ? -0.2 +5233 GLN 6 AM 6 z ? THR 2 AM 2 z ? -2.5 LEU 7 AM 7 z ? -0.2 ALA 10 AM 10 z ? -1.6 LEU 4 AM 4 z ? -0.2 +5234 LEU 7 AM 7 z ? ILE 3 AM 3 z ? -2.2 LEU 9 AM 9 z ? -0.2 ALA 11 AM 11 z ? -3.2 GLN 6 AM 6 z ? -0.2 +5235 ALA 8 AM 8 z ? LEU 4 AM 4 z ? -2.2 LEU 9 AM 9 z ? -0.2 LEU 12 AM 12 z ? -1.8 GLN 6 AM 6 z ? -0.2 +5236 LEU 9 AM 9 z ? PHE 5 AM 5 z ? -2.4 ALA 11 AM 11 z ? -0.2 VAL 13 AM 13 z ? -2.1 ALA 8 AM 8 z ? -0.2 +5237 ALA 10 AM 10 z ? GLN 6 AM 6 z ? -1.6 LEU 12 AM 12 z ? -0.2 ILE 14 AM 14 z ? -2.5 ALA 8 AM 8 z ? -0.2 +5238 ALA 11 AM 11 z ? LEU 7 AM 7 z ? -3.2 VAL 13 AM 13 z ? -0.2 LEU 15 AM 15 z ? -2.8 LEU 9 AM 9 z ? -0.2 +5239 LEU 12 AM 12 z ? ALA 8 AM 8 z ? -1.8 ILE 14 AM 14 z ? -0.2 SER 16 AM 16 z ? -2.6 ALA 10 AM 10 z ? -0.2 +5240 VAL 13 AM 13 z ? LEU 9 AM 9 z ? -2.1 LEU 15 AM 15 z ? -0.2 PHE 17 AM 17 z ? -2.1 ALA 11 AM 11 z ? -0.2 +5241 ILE 14 AM 14 z ? ALA 10 AM 10 z ? -2.5 SER 16 AM 16 z ? -0.2 VAL 18 AM 18 z ? -1.9 LEU 12 AM 12 z ? -0.2 +5242 LEU 15 AM 15 z ? ALA 11 AM 11 z ? -2.8 SER 16 AM 16 z ? -0.2 MET 19 AM 19 z ? -2.4 VAL 13 AM 13 z ? -0.2 +5243 SER 16 AM 16 z ? LEU 12 AM 12 z ? -2.6 PHE 17 AM 17 z ? -0.2 VAL 20 AM 20 z ? -2.4 LEU 15 AM 15 z ? -0.2 +5244 PHE 17 AM 17 z ? VAL 13 AM 13 z ? -2.1 VAL 18 AM 18 z ? -0.2 ILE 21 AM 21 z ? -1.1 SER 16 AM 16 z ? -0.2 +5245 VAL 18 AM 18 z ? ILE 14 AM 14 z ? -1.9 VAL 20 AM 20 z ? -0.2 GLY 22 AM 22 z ? -2.9 PHE 17 AM 17 z ? -0.2 +5246 MET 19 AM 19 z ? LEU 15 AM 15 z ? -2.4 VAL 20 AM 20 z ? -0.2 VAL 23 AM 23 z ? -2.4 PHE 17 AM 17 z ? -0.2 +5247 VAL 20 AM 20 z ? SER 16 AM 16 z ? -2.4 ILE 21 AM 21 z ? -0.2 MET 19 AM 19 z ? -0.2 VAL 18 AM 18 z ? -0.2 +5248 ILE 21 AM 21 z ? PHE 17 AM 17 z ? -1.1 VAL 18 AM 18 z ? -0.2 VAL 25 AM 25 z ? -1.3 MET 19 AM 19 z ? -0.2 +5249 GLY 22 AM 22 z ? VAL 18 AM 18 z ? -2.9 PRO 24 AM 24 z ? -0.2 ALA 26 AM 26 z ? -2.6 TYR 27 AM 27 z ? -0.2 +5250 VAL 23 AM 23 z ? MET 19 AM 19 z ? -2.4 PRO 24 AM 24 z ? -0.2 TYR 27 AM 27 z ? -3.1 ALA 28 AM 28 z ? -0.2 +5251 PRO 24 AM 24 z ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ALA 28 AM 28 z ? -1.9 VAL 23 AM 23 z ? -0.2 +5252 VAL 25 AM 25 z ? ILE 21 AM 21 z ? -1.3 ALA 26 AM 26 z ? -0.2 VAL 23 AM 23 z ? -0.2 GLY 22 AM 22 z ? -0.1 +5253 ALA 26 AM 26 z ? GLY 22 AM 22 z ? -2.6 TYR 27 AM 27 z ? -0.2 SER 29 AM 29 z ? -1.4 VAL 25 AM 25 z ? -0.2 +5254 TYR 27 AM 27 z ? VAL 23 AM 23 z ? -3.1 ALA 28 AM 28 z ? -0.3 VAL 25 AM 25 z ? -0.2 ALA 26 AM 26 z ? -0.2 +5255 ALA 28 AM 28 z ? PRO 24 AM 24 z ? -1.9 VAL 23 AM 23 z ? -0.2 ASN 28 AL 45 y ? -2.8 TYR 27 AM 27 z ? -0.3 +5256 SER 29 AM 29 z ? ALA 26 AM 26 z ? -1.4 GLY 27 AL 44 y ? -0.2 GLY 27 AL 44 y ? -0.1 ARG 26 AL 43 y ? -0.1 +5257 PRO 30 AM 30 z ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? TRP 33 AM 33 z ? -0.3 SER 29 AM 29 z ? -0.2 +5258 GLN 31 AM 31 z ? ASP 32 AM 32 z ? -0.2 TRP 33 AM 33 z ? -0.1 SER 29 AM 29 z ? -0.0 ? ? ? ? ? ? ? +5259 ASP 32 AM 32 z ? ARG 35 AM 35 z ? -0.0 SER 36 AM 36 z ? -0.0 SER 36 AM 36 z ? -0.7 GLN 31 AM 31 z ? -0.2 +5260 TRP 33 AM 33 z ? PRO 30 AM 30 z ? -0.3 ARG 35 AM 35 z ? -0.1 LYS 37 AM 37 z ? -3.4 GLN 38 AM 38 z ? -0.2 +5261 ASP 34 AM 34 z ? SER 36 AM 36 z ? -0.2 ARG 35 AM 35 z ? -0.2 GLN 38 AM 38 z ? -0.8 TRP 33 AM 33 z ? -0.1 +5262 ARG 35 AM 35 z ? LYS 37 AM 37 z ? -0.2 GLN 38 AM 38 z ? -0.1 LEU 39 AM 39 z ? -1.9 GLN 38 AM 38 z ? -0.2 +5263 SER 36 AM 36 z ? ASP 32 AM 32 z ? -0.7 LYS 37 AM 37 z ? -0.2 ILE 40 AM 40 z ? -2.5 PHE 41 AM 41 z ? -0.2 +5264 LYS 37 AM 37 z ? TRP 33 AM 33 z ? -3.4 GLN 38 AM 38 z ? -0.2 PHE 41 AM 41 z ? -1.8 SER 36 AM 36 z ? -0.2 +5265 GLN 38 AM 38 z ? ASP 34 AM 34 z ? -0.8 ARG 35 AM 35 z ? -0.2 LEU 42 AM 42 z ? -2.5 LYS 37 AM 37 z ? -0.2 +5266 LEU 39 AM 39 z ? ARG 35 AM 35 z ? -1.9 PHE 41 AM 41 z ? -0.2 GLY 43 AM 43 z ? -3.2 LYS 37 AM 37 z ? -0.2 +5267 ILE 40 AM 40 z ? SER 36 AM 36 z ? -2.5 LEU 42 AM 42 z ? -0.2 SER 44 AM 44 z ? -2.6 GLN 38 AM 38 z ? -0.2 +5268 PHE 41 AM 41 z ? LYS 37 AM 37 z ? -1.8 SER 36 AM 36 z ? -0.2 GLY 45 AM 45 z ? -2.4 LEU 39 AM 39 z ? -0.2 +5269 LEU 42 AM 42 z ? GLN 38 AM 38 z ? -2.5 SER 44 AM 44 z ? -0.2 LEU 46 AM 46 z ? -2.7 ILE 40 AM 40 z ? -0.2 +5270 GLY 43 AM 43 z ? LEU 39 AM 39 z ? -3.2 SER 44 AM 44 z ? -0.2 TRP 47 AM 47 z ? -2.7 LEU 42 AM 42 z ? -0.2 +5271 SER 44 AM 44 z ? ILE 40 AM 40 z ? -2.6 LEU 46 AM 46 z ? -0.2 ILE 48 AM 48 z ? -2.5 ALA 49 AM 49 z ? -0.2 +5272 GLY 45 AM 45 z ? PHE 41 AM 41 z ? -2.4 LEU 46 AM 46 z ? -0.2 ALA 49 AM 49 z ? -2.4 SER 44 AM 44 z ? -0.2 +5273 LEU 46 AM 46 z ? LEU 42 AM 42 z ? -2.7 ILE 48 AM 48 z ? -0.2 LEU 50 AM 50 z ? -2.4 GLY 45 AM 45 z ? -0.2 +5274 TRP 47 AM 47 z ? GLY 43 AM 43 z ? -2.7 LEU 42 AM 42 z ? -0.2 VAL 51 AM 51 z ? -2.1 GLY 45 AM 45 z ? -0.2 +5275 ILE 48 AM 48 z ? SER 44 AM 44 z ? -2.5 ALA 49 AM 49 z ? -0.2 LEU 52 AM 52 z ? -2.2 LEU 46 AM 46 z ? -0.2 +5276 ALA 49 AM 49 z ? GLY 45 AM 45 z ? -2.4 SER 44 AM 44 z ? -0.2 VAL 53 AM 53 z ? -2.7 TRP 47 AM 47 z ? -0.2 +5277 LEU 50 AM 50 z ? LEU 46 AM 46 z ? -2.4 LEU 52 AM 52 z ? -0.2 VAL 54 AM 54 z ? -3.2 GLY 55 AM 55 z ? -0.3 +5278 VAL 51 AM 51 z ? TRP 47 AM 47 z ? -2.1 VAL 53 AM 53 z ? -0.2 GLY 55 AM 55 z ? -2.6 ALA 49 AM 49 z ? -0.2 +5279 LEU 52 AM 52 z ? ILE 48 AM 48 z ? -2.2 VAL 54 AM 54 z ? -0.2 VAL 56 AM 56 z ? -2.1 LEU 57 AM 57 z ? -0.2 +5280 VAL 53 AM 53 z ? ALA 49 AM 49 z ? -2.7 VAL 54 AM 54 z ? -0.2 LEU 57 AM 57 z ? -2.8 VAL 56 AM 56 z ? -0.2 +5281 VAL 54 AM 54 z ? LEU 50 AM 50 z ? -3.2 GLY 55 AM 55 z ? -0.2 ASN 58 AM 58 z ? -1.8 VAL 53 AM 53 z ? -0.2 +5282 GLY 55 AM 55 z ? VAL 51 AM 51 z ? -2.6 LEU 50 AM 50 z ? -0.3 PHE 59 AM 59 z ? -0.2 VAL 53 AM 53 z ? -0.2 +5283 VAL 56 AM 56 z ? LEU 52 AM 52 z ? -2.1 VAL 53 AM 53 z ? -0.2 PHE 59 AM 59 z ? -1.6 VAL 54 AM 54 z ? -0.2 +5284 LEU 57 AM 57 z ? VAL 53 AM 53 z ? -2.8 ASN 58 AM 58 z ? -0.3 GLY 55 AM 55 z ? -0.2 VAL 56 AM 56 z ? -0.2 +5285 ASN 58 AM 58 z ? VAL 54 AM 54 z ? -1.8 PHE 59 AM 59 z ? -0.3 VAL 62 AM 62 z ? -0.8 PHE 60 AM 60 z ? -0.6 +5286 PHE 59 AM 59 z ? VAL 56 AM 56 z ? -1.6 GLY 55 AM 55 z ? -0.2 ASN 58 AM 58 z ? -0.3 VAL 61 AM 61 z ? -0.1 +5287 PHE 60 AM 60 z ? ASN 58 AM 58 z ? -0.6 LEU 57 AM 57 z ? -0.1 MET 1 AM 1 z ? -0.0 PHE 5 AM 5 z ? -0.0 +5288 VAL 61 AM 61 z ? PHE 59 AM 59 z ? -0.1 VAL 62 AM 62 z ? -0.1 ALA 5 AD 14 k ? -0.4 PHE 59 AM 59 z ? -0.2 +5289 VAL 62 AM 62 z ? ASN 58 AM 58 z ? -0.8 LEU 57 AM 57 z ? -0.2 PHE 59 AM 59 z ? -0.2 VAL 61 AM 61 z ? -0.1 +# +loop_ +_struct_sheet.id +_struct_sheet.number_strands +A 2 +B 2 +C 2 +D 2 +E 2 +F 3 +G 2 +H 10 +I 2 +J 3 +K 2 +L 2 +M 2 +N 2 +O 2 +P 2 +Q 2 +R 2 +S 2 +T 2 +U 2 +V 2 +W 2 +X 2 +Y 4 +Z 3 +AA 2 +AB 2 +AC 2 +AD 2 +AE 4 +AF 2 +AG 2 +AH 2 +AI 2 +AJ 2 +AK 10 +AL 2 +AM 3 +AN 2 +AO 2 +AP 2 +AQ 2 +AR 2 +AS 2 +AT 2 +AU 2 +AV 2 +AW 3 +AX 2 +AY 2 +AZ 2 +BA 2 +BB 2 +BC 2 +BD 2 +BE 2 +BF 2 +BG 2 +BH 2 +BI 4 +BJ 3 +BK 2 +BL 2 +BM 2 +BN 2 +BO 4 +BP 2 +BQ 2 +BR 2 +BS 2 +BT 2 +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A A VAL A 48 ? VAL A 48 ? VAL A 58 VAL A 58 +A B VAL A 57 ? VAL A 57 ? VAL A 67 VAL A 67 +B C ALA A 71 ? VAL A 72 ? ALA A 81 VAL A 82 +B D LEU A 164 ? GLY A 165 ? LEU A 174 GLY A 175 +C E LEU A 213 ? LEU A 213 ? LEU A 223 LEU A 223 +C F TYR A 236 ? TYR A 236 ? TYR A 246 TYR A 246 +D G ILE A 214 ? ILE A 214 ? ILE A 224 ILE A 224 +D H ILE B 481 ? ILE B 481 ? ILE B 482 ILE B 482 +E I GLU A 233 ? GLU A 233 ? GLU A 243 GLU A 243 +E J GLU D 231 ? GLU D 231 ? GLU D 241 GLU D 241 +F K LEU A 287 ? ASN A 288 ? LEU A 297 ASN A 298 +F L GLY C 380 ? SER C 381 ? GLY C 402 SER C 403 +F M GLY C 386 ? GLY C 386 ? GLY C 408 GLY C 408 +G N ILE A 297 ? ILE A 297 ? ILE A 307 ILE A 307 +G O VAL A 303 ? VAL A 303 ? VAL A 313 VAL A 313 +H P ARG AG 24 ? ARG AG 24 ? ARG o 27 ARG o 27 +H Q TYR AG 35 ? LYS AG 50 ? TYR o 38 LYS o 53 +H R PHE AG 62 ? PRO AG 64 ? PHE o 65 PRO o 67 +H S LEU AG 75 ? VAL AG 84 ? LEU o 78 VAL o 87 +H T LEU AG 90 ? ILE AG 98 ? LEU o 93 ILE o 101 +H U VAL AG 123 ? SER AG 125 ? VAL o 126 SER o 128 +H V ASP AG 138 ? PRO AG 146 ? ASP o 141 PRO o 149 +H W LEU AG 189 ? ASP AG 202 ? LEU o 192 ASP o 205 +H X GLU AG 207 ? LEU AG 217 ? GLU o 210 LEU o 220 +H Y GLU AG 229 ? PRO AG 242 ? GLU o 232 PRO o 245 +I Z TYR AG 27 ? PRO AG 28 ? TYR o 30 PRO o 31 +I AA SER AG 132 ? ILE AG 133 ? SER o 135 ILE o 136 +J AB LYS AG 66 ? LEU AG 67 ? LYS o 69 LEU o 70 +J AC PHE AG 100 ? GLN AG 106 ? PHE o 103 GLN o 109 +J AD ARG AG 112 ? THR AG 118 ? ARG o 115 THR o 121 +K AE ARG AG 159 ? ARG AG 159 ? ARG o 162 ARG o 162 +K AF TYR AG 165 ? TYR AG 165 ? TYR o 168 TYR o 168 +L AG ILE AI 18 ? ASP AI 19 ? ILE u 25 ASP u 26 +L AH PHE AI 75 ? THR AI 76 ? PHE u 82 THR u 83 +M AI THR AJ 9 ? PRO AJ 11 ? THR v 9 PRO v 11 +M AJ THR AJ 18 ? THR AJ 20 ? THR v 18 THR v 20 +N AK THR AJ 80 ? THR AJ 80 ? THR v 80 THR v 80 +N AL GLU AJ 87 ? GLU AJ 87 ? GLU v 87 GLU v 87 +O AM LEU B 2 ? LEU B 2 ? LEU B 3 LEU B 3 +O AN VAL K 9 ? VAL K 9 ? VAL L 10 VAL L 10 +P AO GLY B 72 ? GLY B 72 ? GLY B 73 GLY B 73 +P AP SER B 78 ? SER B 78 ? SER B 79 SER B 79 +Q AQ TRP B 77 ? TRP B 77 ? TRP B 78 TRP B 78 +Q AR THR B 83 ? THR B 83 ? THR B 84 THR B 84 +R AS LEU B 119 ? LEU B 119 ? LEU B 120 LEU B 120 +R AT ARG G 2 ? ARG G 2 ? ARG H 3 ARG H 3 +S AU ARG B 123 ? ARG B 123 ? ARG B 124 ARG B 124 +S AV PRO B 130 ? PRO B 130 ? PRO B 131 PRO B 131 +T AW MET B 165 ? VAL B 167 ? MET B 166 VAL B 168 +T AX SER B 176 ? GLN B 178 ? SER B 177 GLN B 179 +U AY PRO B 221 ? PRO B 221 ? PRO B 222 PRO B 222 +U AZ ALA G 21 ? ALA G 21 ? ALA H 22 ALA H 22 +V BA TYR B 313 ? TYR B 313 ? TYR B 314 TYR B 314 +V BB GLY B 426 ? GLY B 426 ? GLY B 427 GLY B 427 +W BC GLY B 322 ? GLY B 322 ? GLY B 323 GLY B 323 +W BD ARG D 284 ? ARG D 284 ? ARG D 294 ARG D 294 +X BE ILE B 335 ? GLY B 341 ? ILE B 336 GLY B 342 +X BF ILE B 428 ? ASP B 432 ? ILE B 429 ASP B 433 +Y BG HIS B 342 ? ARG B 346 ? HIS B 343 ARG B 347 +Y BH GLU B 352 ? LEU B 353 ? GLU B 353 LEU B 354 +Y BI THR B 397 ? TYR B 401 ? THR B 398 TYR B 402 +Y BJ THR B 409 ? PHE B 410 ? THR B 410 PHE B 411 +Z BK PHE B 354 ? VAL B 355 ? PHE B 355 VAL B 356 +Z BL ILE B 368 ? THR B 370 ? ILE B 369 THR B 371 +Z BM VAL B 376 ? ASP B 379 ? VAL B 377 ASP B 380 +AA BN LYS B 497 ? LYS B 497 ? LYS B 498 LYS B 498 +AA BO ARG D 14 ? ARG D 14 ? ARG D 24 ARG D 24 +AB BP VAL C 77 ? VAL C 77 ? VAL C 99 VAL C 99 +AB BQ VAL C 83 ? VAL C 83 ? VAL C 105 VAL C 105 +AC BR LEU C 163 ? ASP C 165 ? LEU C 185 ASP C 187 +AC BS ASP C 173 ? ARG C 175 ? ASP C 195 ARG C 197 +AD BT GLN C 310 ? GLN C 310 ? GLN C 332 GLN C 332 +AD BU GLY C 316 ? GLY C 316 ? GLY C 338 GLY C 338 +AE BV LEU C 319 ? ARG C 321 ? LEU C 341 ARG C 343 +AE BW ILE C 327 ? PHE C 329 ? ILE C 349 PHE C 351 +AE BX ARG C 348 ? GLY C 349 ? ARG C 370 GLY C 371 +AE BY GLY C 352 ? LEU C 353 ? GLY C 374 LEU C 375 +AF BZ VAL C 385 ? VAL C 385 ? VAL C 407 VAL C 407 +AF CA ASN C 396 ? ASN C 396 ? ASN C 418 ASN C 418 +AG CB ILE C 437 ? ILE C 437 ? ILE C 459 ILE C 459 +AG CC PHE D 213 ? PHE D 213 ? PHE D 223 PHE D 223 +AH CD SER D 47 ? SER D 47 ? SER D 57 SER D 57 +AH CE LEU D 53 ? LEU D 53 ? LEU D 63 LEU D 63 +AI CF VAL D 68 ? VAL D 68 ? VAL D 78 VAL D 78 +AI CG PHE D 163 ? PHE D 163 ? PHE D 173 PHE D 173 +AJ CH LEU D 212 ? LEU D 212 ? LEU D 222 LEU D 222 +AJ CI TYR D 234 ? TYR D 234 ? TYR D 244 TYR D 244 +AK CJ ARG M 24 ? ARG M 24 ? ARG O 27 ARG O 27 +AK CK TYR M 35 ? LYS M 50 ? TYR O 38 LYS O 53 +AK CL PHE M 62 ? PRO M 64 ? PHE O 65 PRO O 67 +AK CM LEU M 75 ? VAL M 84 ? LEU O 78 VAL O 87 +AK CN LEU M 90 ? ILE M 98 ? LEU O 93 ILE O 101 +AK CO VAL M 123 ? SER M 125 ? VAL O 126 SER O 128 +AK CP ASP M 138 ? PRO M 146 ? ASP O 141 PRO O 149 +AK CQ LEU M 189 ? ASP M 202 ? LEU O 192 ASP O 205 +AK CR GLU M 207 ? LEU M 217 ? GLU O 210 LEU O 220 +AK CS GLU M 229 ? PRO M 242 ? GLU O 232 PRO O 245 +AL CT TYR M 27 ? PRO M 28 ? TYR O 30 PRO O 31 +AL CU SER M 132 ? ILE M 133 ? SER O 135 ILE O 136 +AM CV LYS M 66 ? LEU M 67 ? LYS O 69 LEU O 70 +AM CW PHE M 100 ? GLN M 106 ? PHE O 103 GLN O 109 +AM CX ARG M 112 ? THR M 118 ? ARG O 115 THR O 121 +AN CY ARG M 159 ? ARG M 159 ? ARG O 162 ARG O 162 +AN CZ TYR M 165 ? TYR M 165 ? TYR O 168 TYR O 168 +AO DA ILE P 17 ? ASP P 18 ? ILE U 25 ASP U 26 +AO DB PHE P 74 ? THR P 75 ? PHE U 82 THR U 83 +AP DC THR Q 9 ? PRO Q 11 ? THR V 9 PRO V 11 +AP DD THR Q 18 ? THR Q 20 ? THR V 18 THR V 20 +AQ DE THR Q 80 ? THR Q 80 ? THR V 80 THR V 80 +AQ DF GLU Q 87 ? GLU Q 87 ? GLU V 87 GLU V 87 +AR DG VAL U 48 ? VAL U 48 ? VAL a 58 VAL a 58 +AR DH VAL U 57 ? VAL U 57 ? VAL a 67 VAL a 67 +AS DI ALA U 71 ? VAL U 72 ? ALA a 81 VAL a 82 +AS DJ LEU U 164 ? GLY U 165 ? LEU a 174 GLY a 175 +AT DK LEU U 213 ? LEU U 213 ? LEU a 223 LEU a 223 +AT DL TYR U 236 ? TYR U 236 ? TYR a 246 TYR a 246 +AU DM ILE U 214 ? ILE U 214 ? ILE a 224 ILE a 224 +AU DN ILE V 481 ? ILE V 481 ? ILE b 482 ILE b 482 +AV DO GLU U 233 ? GLU U 233 ? GLU a 243 GLU a 243 +AV DP GLU X 230 ? GLU X 230 ? GLU d 241 GLU d 241 +AW DQ LEU U 287 ? ASN U 288 ? LEU a 297 ASN a 298 +AW DR GLY W 384 ? SER W 385 ? GLY c 402 SER c 403 +AW DS GLY W 390 ? GLY W 390 ? GLY c 408 GLY c 408 +AX DT ILE U 297 ? ILE U 297 ? ILE a 307 ILE a 307 +AX DU VAL U 303 ? VAL U 303 ? VAL a 313 VAL a 313 +AY DV LEU V 2 ? LEU V 2 ? LEU b 3 LEU b 3 +AY DW VAL AE 9 ? VAL AE 9 ? VAL l 10 VAL l 10 +AZ DX GLY V 72 ? GLY V 72 ? GLY b 73 GLY b 73 +AZ DY SER V 78 ? SER V 78 ? SER b 79 SER b 79 +BA DZ TRP V 77 ? TRP V 77 ? TRP b 78 TRP b 78 +BA EA THR V 83 ? THR V 83 ? THR b 84 THR b 84 +BB EB LEU V 119 ? LEU V 119 ? LEU b 120 LEU b 120 +BB EC ARG AA 2 ? ARG AA 2 ? ARG h 3 ARG h 3 +BC ED ARG V 123 ? ARG V 123 ? ARG b 124 ARG b 124 +BC EE PRO V 130 ? PRO V 130 ? PRO b 131 PRO b 131 +BD EF MET V 165 ? VAL V 167 ? MET b 166 VAL b 168 +BD EG SER V 176 ? GLN V 178 ? SER b 177 GLN b 179 +BE EH PRO V 221 ? PRO V 221 ? PRO b 222 PRO b 222 +BE EI ALA AA 21 ? ALA AA 21 ? ALA h 22 ALA h 22 +BF EJ TYR V 313 ? TYR V 313 ? TYR b 314 TYR b 314 +BF EK GLY V 426 ? GLY V 426 ? GLY b 427 GLY b 427 +BG EL GLY V 322 ? GLY V 322 ? GLY b 323 GLY b 323 +BG EM ARG X 283 ? ARG X 283 ? ARG d 294 ARG d 294 +BH EN ILE V 335 ? GLY V 341 ? ILE b 336 GLY b 342 +BH EO ILE V 428 ? ASP V 432 ? ILE b 429 ASP b 433 +BI EP HIS V 342 ? ARG V 346 ? HIS b 343 ARG b 347 +BI EQ GLU V 352 ? LEU V 353 ? GLU b 353 LEU b 354 +BI ER THR V 397 ? TYR V 401 ? THR b 398 TYR b 402 +BI ES THR V 409 ? PHE V 410 ? THR b 410 PHE b 411 +BJ ET PHE V 354 ? VAL V 355 ? PHE b 355 VAL b 356 +BJ EU ILE V 368 ? THR V 370 ? ILE b 369 THR b 371 +BJ EV VAL V 376 ? ASP V 379 ? VAL b 377 ASP b 380 +BK EW LYS V 497 ? LYS V 497 ? LYS b 498 LYS b 498 +BK EX ARG X 13 ? ARG X 13 ? ARG d 24 ARG d 24 +BL EY VAL W 81 ? VAL W 81 ? VAL c 99 VAL c 99 +BL EZ VAL W 87 ? VAL W 87 ? VAL c 105 VAL c 105 +BM FA LEU W 167 ? ASP W 169 ? LEU c 185 ASP c 187 +BM FB ASP W 177 ? ARG W 179 ? ASP c 195 ARG c 197 +BN FC GLN W 314 ? GLN W 314 ? GLN c 332 GLN c 332 +BN FD GLY W 320 ? GLY W 320 ? GLY c 338 GLY c 338 +BO FE LEU W 323 ? ARG W 325 ? LEU c 341 ARG c 343 +BO FF ILE W 331 ? PHE W 333 ? ILE c 349 PHE c 351 +BO FG ARG W 352 ? GLY W 353 ? ARG c 370 GLY c 371 +BO FH GLY W 356 ? LEU W 357 ? GLY c 374 LEU c 375 +BP FI VAL W 389 ? VAL W 389 ? VAL c 407 VAL c 407 +BP FJ ASN W 400 ? ASN W 400 ? ASN c 418 ASN c 418 +BQ FK ILE W 441 ? ILE W 441 ? ILE c 459 ILE c 459 +BQ FL PHE X 212 ? PHE X 212 ? PHE d 223 PHE d 223 +BR FM SER X 46 ? SER X 46 ? SER d 57 SER d 57 +BR FN LEU X 52 ? LEU X 52 ? LEU d 63 LEU d 63 +BS FO ALA X 66 ? VAL X 67 ? ALA d 77 VAL d 78 +BS FP PHE X 162 ? GLY X 163 ? PHE d 173 GLY d 174 +BT FQ LEU X 211 ? LEU X 211 ? LEU d 222 LEU d 222 +BT FR TYR X 233 ? TYR X 233 ? TYR d 244 TYR d 244 +# +loop_ +_dssp_struct_ladder.id +_dssp_struct_ladder.sheet_id +_dssp_struct_ladder.range_id_1 +_dssp_struct_ladder.range_id_2 +_dssp_struct_ladder.type +_dssp_struct_ladder.beg_1_label_comp_id +_dssp_struct_ladder.beg_1_label_asym_id +_dssp_struct_ladder.beg_1_label_seq_id +_dssp_struct_ladder.pdbx_beg_1_PDB_ins_code +_dssp_struct_ladder.end_1_label_comp_id +_dssp_struct_ladder.end_1_label_asym_id +_dssp_struct_ladder.end_1_label_seq_id +_dssp_struct_ladder.pdbx_end_1_PDB_ins_code +_dssp_struct_ladder.beg_1_auth_comp_id +_dssp_struct_ladder.beg_1_auth_asym_id +_dssp_struct_ladder.beg_1_auth_seq_id +_dssp_struct_ladder.end_1_auth_comp_id +_dssp_struct_ladder.end_1_auth_asym_id +_dssp_struct_ladder.end_1_auth_seq_id +_dssp_struct_ladder.beg_2_label_comp_id +_dssp_struct_ladder.beg_2_label_asym_id +_dssp_struct_ladder.beg_2_label_seq_id +_dssp_struct_ladder.pdbx_beg_2_PDB_ins_code +_dssp_struct_ladder.end_2_label_comp_id +_dssp_struct_ladder.end_2_label_asym_id +_dssp_struct_ladder.end_2_label_seq_id +_dssp_struct_ladder.pdbx_end_2_PDB_ins_code +_dssp_struct_ladder.beg_2_auth_comp_id +_dssp_struct_ladder.beg_2_auth_asym_id +_dssp_struct_ladder.beg_2_auth_seq_id +_dssp_struct_ladder.end_2_auth_comp_id +_dssp_struct_ladder.end_2_auth_asym_id +_dssp_struct_ladder.end_2_auth_seq_id +A A A B anti-parallel VAL A 48 ? VAL A 48 ? VAL A 58 VAL A 58 VAL A 57 ? VAL A 57 ? VAL A 67 VAL A 67 +B B C D anti-parallel ALA A 71 ? VAL A 72 ? ALA A 81 VAL A 82 GLY A 165 ? LEU A 164 ? GLY A 175 LEU A 174 +C C E F anti-parallel LEU A 213 ? LEU A 213 ? LEU A 223 LEU A 223 TYR A 236 ? TYR A 236 ? TYR A 246 TYR A 246 +D D G H parallel ILE A 214 ? ILE A 214 ? ILE A 224 ILE A 224 ILE B 481 ? ILE B 481 ? ILE B 482 ILE B 482 +E E I J anti-parallel GLU A 233 ? GLU A 233 ? GLU A 243 GLU A 243 GLU D 231 ? GLU D 231 ? GLU D 241 GLU D 241 +F F K L parallel LEU A 287 ? ASN A 288 ? LEU A 297 ASN A 298 GLY C 380 ? SER C 381 ? GLY C 402 SER C 403 +G F L M anti-parallel GLY C 380 ? GLY C 380 ? GLY C 402 GLY C 402 GLY C 386 ? GLY C 386 ? GLY C 408 GLY C 408 +H G N O anti-parallel ILE A 297 ? ILE A 297 ? ILE A 307 ILE A 307 VAL A 303 ? VAL A 303 ? VAL A 313 VAL A 313 +I H P W parallel ARG AG 24 ? ARG AG 24 ? ARG o 27 ARG o 27 VAL AG 201 ? VAL AG 201 ? VAL o 204 VAL o 204 +J H Q S anti-parallel TYR AG 35 ? LEU AG 42 ? TYR o 38 LEU o 45 LEU AG 82 ? LEU AG 75 ? LEU o 85 LEU o 78 +K H Q Y anti-parallel TYR AG 35 ? VAL AG 49 ? TYR o 38 VAL o 52 PRO AG 242 ? VAL AG 230 ? PRO o 245 VAL o 233 +L H Q R anti-parallel LEU AG 48 ? LYS AG 50 ? LEU o 51 LYS o 53 PRO AG 64 ? PHE AG 62 ? PRO o 67 PHE o 65 +M H S T anti-parallel ASP AG 76 ? VAL AG 84 ? ASP o 79 VAL o 87 ILE AG 98 ? LEU AG 90 ? ILE o 101 LEU o 93 +N H T U anti-parallel THR AG 91 ? VAL AG 93 ? THR o 94 VAL o 96 SER AG 125 ? VAL AG 123 ? SER o 128 VAL o 126 +O H U V anti-parallel VAL AG 123 ? SER AG 125 ? VAL o 126 SER o 128 GLU AG 142 ? LYS AG 140 ? GLU o 145 LYS o 143 +P H V W anti-parallel ASP AG 138 ? PRO AG 146 ? ASP o 141 PRO o 149 ASN AG 197 ? LEU AG 189 ? ASN o 200 LEU o 192 +Q H W X anti-parallel GLN AG 193 ? ASP AG 202 ? GLN o 196 ASP o 205 GLU AG 215 ? GLU AG 207 ? GLU o 218 GLU o 210 +R H X Y anti-parallel GLU AG 207 ? LEU AG 217 ? GLU o 210 LEU o 220 SER AG 239 ? GLU AG 229 ? SER o 242 GLU o 232 +S I Z AA anti-parallel TYR AG 27 ? PRO AG 28 ? TYR o 30 PRO o 31 ILE AG 133 ? SER AG 132 ? ILE o 136 SER o 135 +T J AB AC anti-parallel LYS AG 66 ? LEU AG 67 ? LYS o 69 LEU o 70 GLN AG 106 ? VAL AG 105 ? GLN o 109 VAL o 108 +U J AC AD anti-parallel PHE AG 100 ? GLN AG 106 ? PHE o 103 GLN o 109 THR AG 118 ? ARG AG 112 ? THR o 121 ARG o 115 +V K AE AF parallel ARG AG 159 ? ARG AG 159 ? ARG o 162 ARG o 162 TYR AG 165 ? TYR AG 165 ? TYR o 168 TYR o 168 +W L AG AH parallel ILE AI 18 ? ASP AI 19 ? ILE u 25 ASP u 26 PHE AI 75 ? THR AI 76 ? PHE u 82 THR u 83 +X M AI AJ anti-parallel THR AJ 9 ? PRO AJ 11 ? THR v 9 PRO v 11 THR AJ 20 ? THR AJ 18 ? THR v 20 THR v 18 +Y N AK AL anti-parallel THR AJ 80 ? THR AJ 80 ? THR v 80 THR v 80 GLU AJ 87 ? GLU AJ 87 ? GLU v 87 GLU v 87 +Z O AM AN parallel LEU B 2 ? LEU B 2 ? LEU B 3 LEU B 3 VAL K 9 ? VAL K 9 ? VAL L 10 VAL L 10 +AA P AO AP anti-parallel GLY B 72 ? GLY B 72 ? GLY B 73 GLY B 73 SER B 78 ? SER B 78 ? SER B 79 SER B 79 +AB Q AQ AR anti-parallel TRP B 77 ? TRP B 77 ? TRP B 78 TRP B 78 THR B 83 ? THR B 83 ? THR B 84 THR B 84 +AC R AS AT parallel LEU B 119 ? LEU B 119 ? LEU B 120 LEU B 120 ARG G 2 ? ARG G 2 ? ARG H 3 ARG H 3 +AD S AU AV anti-parallel ARG B 123 ? ARG B 123 ? ARG B 124 ARG B 124 PRO B 130 ? PRO B 130 ? PRO B 131 PRO B 131 +AE T AW AX anti-parallel MET B 165 ? VAL B 167 ? MET B 166 VAL B 168 GLN B 178 ? SER B 176 ? GLN B 179 SER B 177 +AF U AY AZ parallel PRO B 221 ? PRO B 221 ? PRO B 222 PRO B 222 ALA G 21 ? ALA G 21 ? ALA H 22 ALA H 22 +AG V BA BB anti-parallel TYR B 313 ? TYR B 313 ? TYR B 314 TYR B 314 GLY B 426 ? GLY B 426 ? GLY B 427 GLY B 427 +AH W BC BD parallel GLY B 322 ? GLY B 322 ? GLY B 323 GLY B 323 ARG D 284 ? ARG D 284 ? ARG D 294 ARG D 294 +AI X BE BF anti-parallel ILE B 335 ? GLY B 341 ? ILE B 336 GLY B 342 ASP B 432 ? ILE B 428 ? ASP B 433 ILE B 429 +AJ Y BG BI anti-parallel HIS B 342 ? ARG B 346 ? HIS B 343 ARG B 347 TYR B 401 ? THR B 397 ? TYR B 402 THR B 398 +AK Y BG BH anti-parallel PHE B 345 ? ARG B 346 ? PHE B 346 ARG B 347 LEU B 353 ? GLU B 352 ? LEU B 354 GLU B 353 +AL Y BI BJ anti-parallel VAL B 398 ? SER B 399 ? VAL B 399 SER B 400 PHE B 410 ? THR B 409 ? PHE B 411 THR B 410 +AM Z BK BL anti-parallel PHE B 354 ? VAL B 355 ? PHE B 355 VAL B 356 THR B 370 ? LEU B 369 ? THR B 371 LEU B 370 +AN Z BL BM anti-parallel ILE B 368 ? THR B 370 ? ILE B 369 THR B 371 ASP B 379 ? VAL B 376 ? ASP B 380 VAL B 377 +AO AA BN BO anti-parallel LYS B 497 ? LYS B 497 ? LYS B 498 LYS B 498 ARG D 14 ? ARG D 14 ? ARG D 24 ARG D 24 +AP AB BP BQ anti-parallel VAL C 77 ? VAL C 77 ? VAL C 99 VAL C 99 VAL C 83 ? VAL C 83 ? VAL C 105 VAL C 105 +AQ AC BR BS anti-parallel LEU C 163 ? ASP C 165 ? LEU C 185 ASP C 187 ARG C 175 ? ASP C 173 ? ARG C 197 ASP C 195 +AR AD BT BU anti-parallel GLN C 310 ? GLN C 310 ? GLN C 332 GLN C 332 GLY C 316 ? GLY C 316 ? GLY C 338 GLY C 338 +AS AE BV BW anti-parallel LEU C 319 ? ARG C 321 ? LEU C 341 ARG C 343 PHE C 329 ? ILE C 327 ? PHE C 351 ILE C 349 +AT AE BW BY parallel ILE C 327 ? ILE C 327 ? ILE C 349 ILE C 349 GLY C 352 ? GLY C 352 ? GLY C 374 GLY C 374 +AU AE BX BY anti-parallel ARG C 348 ? GLY C 349 ? ARG C 370 GLY C 371 LEU C 353 ? GLY C 352 ? LEU C 375 GLY C 374 +AV AF BZ CA anti-parallel VAL C 385 ? VAL C 385 ? VAL C 407 VAL C 407 ASN C 396 ? ASN C 396 ? ASN C 418 ASN C 418 +AW AG CB CC parallel ILE C 437 ? ILE C 437 ? ILE C 459 ILE C 459 PHE D 213 ? PHE D 213 ? PHE D 223 PHE D 223 +AX AH CD CE anti-parallel SER D 47 ? SER D 47 ? SER D 57 SER D 57 LEU D 53 ? LEU D 53 ? LEU D 63 LEU D 63 +AY AI CF CG anti-parallel VAL D 68 ? VAL D 68 ? VAL D 78 VAL D 78 PHE D 163 ? PHE D 163 ? PHE D 173 PHE D 173 +AZ AJ CH CI anti-parallel LEU D 212 ? LEU D 212 ? LEU D 222 LEU D 222 TYR D 234 ? TYR D 234 ? TYR D 244 TYR D 244 +BA AK CJ CQ parallel ARG M 24 ? ARG M 24 ? ARG O 27 ARG O 27 VAL M 201 ? VAL M 201 ? VAL O 204 VAL O 204 +BB AK CK CM anti-parallel TYR M 35 ? LEU M 42 ? TYR O 38 LEU O 45 LEU M 82 ? LEU M 75 ? LEU O 85 LEU O 78 +BC AK CK CS anti-parallel TYR M 35 ? VAL M 49 ? TYR O 38 VAL O 52 PRO M 242 ? VAL M 230 ? PRO O 245 VAL O 233 +BD AK CK CL anti-parallel LEU M 48 ? LYS M 50 ? LEU O 51 LYS O 53 PRO M 64 ? PHE M 62 ? PRO O 67 PHE O 65 +BE AK CM CN anti-parallel ASP M 76 ? VAL M 84 ? ASP O 79 VAL O 87 ILE M 98 ? LEU M 90 ? ILE O 101 LEU O 93 +BF AK CN CO anti-parallel THR M 91 ? VAL M 93 ? THR O 94 VAL O 96 SER M 125 ? VAL M 123 ? SER O 128 VAL O 126 +BG AK CO CP anti-parallel VAL M 123 ? SER M 125 ? VAL O 126 SER O 128 GLU M 142 ? LYS M 140 ? GLU O 145 LYS O 143 +BH AK CP CQ anti-parallel ASP M 138 ? PRO M 146 ? ASP O 141 PRO O 149 ASN M 197 ? LEU M 189 ? ASN O 200 LEU O 192 +BI AK CQ CR anti-parallel GLN M 193 ? ASP M 202 ? GLN O 196 ASP O 205 GLU M 215 ? GLU M 207 ? GLU O 218 GLU O 210 +BJ AK CR CS anti-parallel GLU M 207 ? LEU M 217 ? GLU O 210 LEU O 220 SER M 239 ? GLU M 229 ? SER O 242 GLU O 232 +BK AL CT CU anti-parallel TYR M 27 ? PRO M 28 ? TYR O 30 PRO O 31 ILE M 133 ? SER M 132 ? ILE O 136 SER O 135 +BL AM CV CW anti-parallel LYS M 66 ? LEU M 67 ? LYS O 69 LEU O 70 GLN M 106 ? VAL M 105 ? GLN O 109 VAL O 108 +BM AM CW CX anti-parallel PHE M 100 ? GLN M 106 ? PHE O 103 GLN O 109 THR M 118 ? ARG M 112 ? THR O 121 ARG O 115 +BN AN CY CZ parallel ARG M 159 ? ARG M 159 ? ARG O 162 ARG O 162 TYR M 165 ? TYR M 165 ? TYR O 168 TYR O 168 +BO AO DA DB parallel ILE P 17 ? ASP P 18 ? ILE U 25 ASP U 26 PHE P 74 ? THR P 75 ? PHE U 82 THR U 83 +BP AP DC DD anti-parallel THR Q 9 ? PRO Q 11 ? THR V 9 PRO V 11 THR Q 20 ? THR Q 18 ? THR V 20 THR V 18 +BQ AQ DE DF anti-parallel THR Q 80 ? THR Q 80 ? THR V 80 THR V 80 GLU Q 87 ? GLU Q 87 ? GLU V 87 GLU V 87 +BR AR DG DH anti-parallel VAL U 48 ? VAL U 48 ? VAL a 58 VAL a 58 VAL U 57 ? VAL U 57 ? VAL a 67 VAL a 67 +BS AS DI DJ anti-parallel ALA U 71 ? VAL U 72 ? ALA a 81 VAL a 82 GLY U 165 ? LEU U 164 ? GLY a 175 LEU a 174 +BT AT DK DL anti-parallel LEU U 213 ? LEU U 213 ? LEU a 223 LEU a 223 TYR U 236 ? TYR U 236 ? TYR a 246 TYR a 246 +BU AU DM DN parallel ILE U 214 ? ILE U 214 ? ILE a 224 ILE a 224 ILE V 481 ? ILE V 481 ? ILE b 482 ILE b 482 +BV AV DO DP anti-parallel GLU U 233 ? GLU U 233 ? GLU a 243 GLU a 243 GLU X 230 ? GLU X 230 ? GLU d 241 GLU d 241 +BW AW DQ DR parallel LEU U 287 ? ASN U 288 ? LEU a 297 ASN a 298 GLY W 384 ? SER W 385 ? GLY c 402 SER c 403 +BX AW DR DS anti-parallel GLY W 384 ? GLY W 384 ? GLY c 402 GLY c 402 GLY W 390 ? GLY W 390 ? GLY c 408 GLY c 408 +BY AX DT DU anti-parallel ILE U 297 ? ILE U 297 ? ILE a 307 ILE a 307 VAL U 303 ? VAL U 303 ? VAL a 313 VAL a 313 +BZ AY DV DW parallel LEU V 2 ? LEU V 2 ? LEU b 3 LEU b 3 VAL AE 9 ? VAL AE 9 ? VAL l 10 VAL l 10 +CA AZ DX DY anti-parallel GLY V 72 ? GLY V 72 ? GLY b 73 GLY b 73 SER V 78 ? SER V 78 ? SER b 79 SER b 79 +CB BA DZ EA anti-parallel TRP V 77 ? TRP V 77 ? TRP b 78 TRP b 78 THR V 83 ? THR V 83 ? THR b 84 THR b 84 +CC BB EB EC parallel LEU V 119 ? LEU V 119 ? LEU b 120 LEU b 120 ARG AA 2 ? ARG AA 2 ? ARG h 3 ARG h 3 +CD BC ED EE anti-parallel ARG V 123 ? ARG V 123 ? ARG b 124 ARG b 124 PRO V 130 ? PRO V 130 ? PRO b 131 PRO b 131 +CE BD EF EG anti-parallel MET V 165 ? VAL V 167 ? MET b 166 VAL b 168 GLN V 178 ? SER V 176 ? GLN b 179 SER b 177 +CF BE EH EI parallel PRO V 221 ? PRO V 221 ? PRO b 222 PRO b 222 ALA AA 21 ? ALA AA 21 ? ALA h 22 ALA h 22 +CG BF EJ EK anti-parallel TYR V 313 ? TYR V 313 ? TYR b 314 TYR b 314 GLY V 426 ? GLY V 426 ? GLY b 427 GLY b 427 +CH BG EL EM parallel GLY V 322 ? GLY V 322 ? GLY b 323 GLY b 323 ARG X 283 ? ARG X 283 ? ARG d 294 ARG d 294 +CI BH EN EO anti-parallel ILE V 335 ? GLY V 341 ? ILE b 336 GLY b 342 ASP V 432 ? ILE V 428 ? ASP b 433 ILE b 429 +CJ BI EP ER anti-parallel HIS V 342 ? ARG V 346 ? HIS b 343 ARG b 347 TYR V 401 ? THR V 397 ? TYR b 402 THR b 398 +CK BI EP EQ anti-parallel PHE V 345 ? ARG V 346 ? PHE b 346 ARG b 347 LEU V 353 ? GLU V 352 ? LEU b 354 GLU b 353 +CL BI ER ES anti-parallel VAL V 398 ? SER V 399 ? VAL b 399 SER b 400 PHE V 410 ? THR V 409 ? PHE b 411 THR b 410 +CM BJ ET EU anti-parallel PHE V 354 ? VAL V 355 ? PHE b 355 VAL b 356 THR V 370 ? LEU V 369 ? THR b 371 LEU b 370 +CN BJ EU EV anti-parallel ILE V 368 ? THR V 370 ? ILE b 369 THR b 371 ASP V 379 ? VAL V 376 ? ASP b 380 VAL b 377 +CO BK EW EX anti-parallel LYS V 497 ? LYS V 497 ? LYS b 498 LYS b 498 ARG X 13 ? ARG X 13 ? ARG d 24 ARG d 24 +CP BL EY EZ anti-parallel VAL W 81 ? VAL W 81 ? VAL c 99 VAL c 99 VAL W 87 ? VAL W 87 ? VAL c 105 VAL c 105 +CQ BM FA FB anti-parallel LEU W 167 ? ASP W 169 ? LEU c 185 ASP c 187 ARG W 179 ? ASP W 177 ? ARG c 197 ASP c 195 +CR BN FC FD anti-parallel GLN W 314 ? GLN W 314 ? GLN c 332 GLN c 332 GLY W 320 ? GLY W 320 ? GLY c 338 GLY c 338 +CS BO FE FF anti-parallel LEU W 323 ? ARG W 325 ? LEU c 341 ARG c 343 PHE W 333 ? ILE W 331 ? PHE c 351 ILE c 349 +CT BO FF FH parallel ILE W 331 ? ILE W 331 ? ILE c 349 ILE c 349 GLY W 356 ? GLY W 356 ? GLY c 374 GLY c 374 +CU BO FG FH anti-parallel ARG W 352 ? GLY W 353 ? ARG c 370 GLY c 371 LEU W 357 ? GLY W 356 ? LEU c 375 GLY c 374 +CV BP FI FJ anti-parallel VAL W 389 ? VAL W 389 ? VAL c 407 VAL c 407 ASN W 400 ? ASN W 400 ? ASN c 418 ASN c 418 +CW BQ FK FL parallel ILE W 441 ? ILE W 441 ? ILE c 459 ILE c 459 PHE X 212 ? PHE X 212 ? PHE d 223 PHE d 223 +CX BR FM FN anti-parallel SER X 46 ? SER X 46 ? SER d 57 SER d 57 LEU X 52 ? LEU X 52 ? LEU d 63 LEU d 63 +CY BS FO FP anti-parallel ALA X 66 ? VAL X 67 ? ALA d 77 VAL d 78 GLY X 163 ? PHE X 162 ? GLY d 174 PHE d 173 +CZ BT FQ FR anti-parallel LEU X 211 ? LEU X 211 ? LEU d 222 LEU d 222 TYR X 233 ? TYR X 233 ? TYR d 244 TYR d 244 +# +_dssp_statistics.entry_id 8IRA +_dssp_statistics.nr_of_residues 5289 +_dssp_statistics.nr_of_chains 39 +_dssp_statistics.nr_of_ss_bridges_total 2 +_dssp_statistics.nr_of_ss_bridges_intra_chain 2 +_dssp_statistics.nr_of_ss_bridges_inter_chain 0 +# +loop_ +_dssp_statistics_hbond.entry_id +_dssp_statistics_hbond.type +_dssp_statistics_hbond.count +_dssp_statistics_hbond.count_per_100 +8IRA O(I)-->H-N(J) 3754 71.0 +8IRA 'PARALLEL BRIDGES' 48 0.9 +8IRA 'ANTIPARALLEL BRIDGES' 355 6.7 +8IRA O(I)-->H-N(I-5) 10 0.2 +8IRA O(I)-->H-N(I-4) 26 0.5 +8IRA O(I)-->H-N(I-3) 2 0.0 +8IRA O(I)-->H-N(I-2) 0 0.0 +8IRA O(I)-->H-N(I-1) 2 0.0 +8IRA O(I)-->H-N(I+0) 0 0.0 +8IRA O(I)-->H-N(I+1) 0 0.0 +8IRA O(I)-->H-N(I+2) 197 3.7 +8IRA O(I)-->H-N(I+3) 644 12.2 +8IRA O(I)-->H-N(I+4) 2195 41.5 +8IRA O(I)-->H-N(I+5) 84 1.6 +# +loop_ +_dssp_statistics_histogram.entry_id +_dssp_statistics_histogram.type +_dssp_statistics_histogram.1 +_dssp_statistics_histogram.2 +_dssp_statistics_histogram.3 +_dssp_statistics_histogram.4 +_dssp_statistics_histogram.5 +_dssp_statistics_histogram.6 +_dssp_statistics_histogram.7 +_dssp_statistics_histogram.8 +_dssp_statistics_histogram.9 +_dssp_statistics_histogram.10 +_dssp_statistics_histogram.11 +_dssp_statistics_histogram.12 +_dssp_statistics_histogram.13 +_dssp_statistics_histogram.14 +_dssp_statistics_histogram.15 +_dssp_statistics_histogram.16 +_dssp_statistics_histogram.17 +_dssp_statistics_histogram.18 +_dssp_statistics_histogram.19 +_dssp_statistics_histogram.20 +_dssp_statistics_histogram.21 +_dssp_statistics_histogram.22 +_dssp_statistics_histogram.23 +_dssp_statistics_histogram.24 +_dssp_statistics_histogram.25 +_dssp_statistics_histogram.26 +_dssp_statistics_histogram.27 +_dssp_statistics_histogram.28 +_dssp_statistics_histogram.29 +_dssp_statistics_histogram.30 +8IRA residues_per_alpha_helix 0 0 0 28 10 18 2 2 10 2 6 2 2 4 10 0 0 6 0 2 4 7 9 8 9 7 3 9 2 5 +8IRA parallel_bridges_per_ladder 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +8IRA antiparallel_bridges_per_ladder 33 15 16 0 6 0 4 0 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +8IRA ladders_per_sheet 15 6 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +# +loop_ +_dssp_struct_summary.entry_id +_dssp_struct_summary.label_asym_id +_dssp_struct_summary.label_seq_id +_dssp_struct_summary.label_comp_id +_dssp_struct_summary.secondary_structure +_dssp_struct_summary.ss_bridge +_dssp_struct_summary.helix_3_10 +_dssp_struct_summary.helix_alpha +_dssp_struct_summary.helix_pi +_dssp_struct_summary.helix_pp +_dssp_struct_summary.bend +_dssp_struct_summary.chirality +_dssp_struct_summary.sheet +_dssp_struct_summary.strand +_dssp_struct_summary.ladder_1 +_dssp_struct_summary.ladder_2 +_dssp_struct_summary.accessibility +_dssp_struct_summary.TCO +_dssp_struct_summary.kappa +_dssp_struct_summary.alpha +_dssp_struct_summary.phi +_dssp_struct_summary.psi +_dssp_struct_summary.x_ca +_dssp_struct_summary.y_ca +_dssp_struct_summary.z_ca +8IRA A 1 ALA . . . . . . . . . . . . ? . . . . 68.0 67.0 -45.2 -17.8 +8IRA A 2 ASN . . . > . . . - . . . . ? -0.158 . -97.8 -69.5 170.9 67.9 -43.0 -20.8 +8IRA A 3 LEU H . . > . . S + . . . . ? 0.843 118.4 52.0 -68.3 -41.7 65.5 -40.4 -22.3 +8IRA A 4 TRP H . . > . . S + . . . . ? 0.941 110.7 49.8 -57.0 -47.1 64.1 -42.4 -25.2 +8IRA A 5 GLU H . . > . . S + . . . . ? 0.840 110.4 50.0 -66.1 -33.8 63.2 -45.3 -22.9 +8IRA A 6 ARG H . . X . . S + . . . . ? 0.886 111.8 48.3 -67.6 -41.6 61.5 -43.0 -20.5 +8IRA A 7 PHE H . . X . . S + . . . . ? 0.901 111.4 50.0 -62.5 -44.6 59.5 -41.5 -23.3 +8IRA A 8 CYS H . . X . . S + . . . . ? 0.887 110.1 50.7 -62.7 -42.7 58.6 -44.9 -24.6 +8IRA A 9 ASN H . . < . . S + . . . . ? 0.820 112.5 46.9 -62.3 -35.6 57.4 -45.9 -21.1 +8IRA A 10 TRP H . > < . . S + . . . . ? 0.907 111.4 49.9 -72.4 -46.9 55.3 -42.8 -20.8 +8IRA A 11 VAL H . 3 < . . S + . . . . ? 0.845 118.8 38.2 -60.0 -40.4 53.7 -43.2 -24.3 +8IRA A 12 THR T . 3 < . . S + . . . . ? 0.218 87.8 134.4 -97.3 12.6 52.8 -46.9 -23.7 +8IRA A 13 SER . . X . . . . - . . . . ? -0.465 47.3 -156.4 -69.4 132.6 51.8 -46.4 -20.0 +8IRA A 14 THR T . 3 . . . S + . . . . ? 0.379 88.3 72.0 -82.1 1.5 48.6 -48.0 -18.8 +8IRA A 15 ASP T . 3 . . . . + . . . . ? 0.394 68.9 106.9 -100.7 0.4 48.5 -45.4 -16.0 +8IRA A 16 ASN S . < . . . S - . . . . ? -0.591 76.7 -127.9 -76.8 142.7 47.6 -42.4 -18.2 +8IRA A 17 ARG S . . . . . S + . . . . ? 0.857 105.6 28.8 -61.4 -36.6 43.9 -41.3 -17.8 +8IRA A 18 LEU S . . . . . S - . . . . ? -0.998 97.8 -121.2 -120.5 127.8 43.7 -41.5 -21.6 +8IRA A 19 TYR . . . . . . . - . . . . ? -0.486 28.9 -178.4 -68.7 133.5 46.0 -44.1 -23.3 +8IRA A 20 VAL . . . > . . . + . . . . ? 0.816 17.7 156.9 -89.3 -81.8 48.4 -42.5 -25.8 +8IRA A 21 GLY H . . > . . . - . . . . ? -0.006 64.0 -66.2 69.8 176.5 50.4 -45.3 -27.3 +8IRA A 22 TRP H . . > . . S + . . . . ? 0.901 137.5 49.7 -71.1 -42.8 52.1 -45.2 -30.7 +8IRA A 23 PHE H . > > . . S + . . . . ? 0.933 107.5 58.5 -54.8 -43.4 48.9 -45.0 -32.7 +8IRA A 24 GLY H . 3 X . . S + . . . . ? 0.801 94.2 64.6 -54.7 -35.7 48.0 -42.2 -30.3 +8IRA A 25 VAL H . 3 < . . S + . . . . ? 0.842 113.9 31.9 -59.5 -37.0 51.1 -40.2 -31.4 +8IRA A 26 ILE H . < X . . S + . . . . ? 0.817 118.6 56.5 -83.0 -37.1 49.7 -40.0 -34.9 +8IRA A 27 MET H . . X . . S + . . . . ? 0.908 101.4 53.3 -64.7 -46.1 46.0 -39.9 -33.8 +8IRA A 28 ILE H . . X . . S + . . . . ? 0.927 110.8 42.5 -64.5 -51.0 46.1 -36.9 -31.5 +8IRA A 29 PRO H . . > . . S + . . . . ? 0.898 117.8 47.1 -59.6 -40.5 47.7 -34.3 -33.8 +8IRA A 30 THR H . . X . . S + . . . . ? 0.920 113.0 46.4 -73.9 -43.0 45.6 -35.3 -36.8 +8IRA A 31 LEU H . . X . . S + . . . . ? 0.862 113.0 52.1 -64.4 -34.2 42.2 -35.4 -34.9 +8IRA A 32 LEU H . . X . . S + . . . . ? 0.947 110.9 46.7 -67.0 -47.0 43.1 -32.0 -33.3 +8IRA A 33 ALA H . . X . . S + . . . . ? 0.943 114.3 46.9 -58.2 -50.6 43.8 -30.5 -36.8 +8IRA A 34 ALA H . . X . . S + . . . . ? 0.912 114.9 47.4 -57.7 -44.4 40.6 -31.9 -38.3 +8IRA A 35 THR H . . X . . S + . . . . ? 0.922 111.3 47.3 -66.5 -48.8 38.5 -30.8 -35.3 +8IRA A 36 ILE H . . X . . S + . . . . ? 0.920 115.9 45.8 -62.6 -43.8 39.8 -27.2 -35.1 +8IRA A 37 CYS H . . X . . S + . . . . ? 0.878 111.7 52.5 -64.6 -41.2 39.5 -26.7 -38.8 +8IRA A 38 PHE H . . X . . S + . . . . ? 0.967 111.9 45.1 -57.6 -52.7 36.0 -28.2 -38.8 +8IRA A 39 VAL H . . X . . S + . . . . ? 0.909 115.4 46.0 -60.3 -49.0 34.7 -26.0 -36.0 +8IRA A 40 ILE H . . X . . S + . . . . ? 0.929 117.2 44.4 -61.0 -46.5 36.2 -22.8 -37.5 +8IRA A 41 ALA H . . X . . S + . . . . ? 0.877 109.3 55.2 -65.8 -42.9 34.9 -23.6 -41.0 +8IRA A 42 PHE H . . < . . S + . . . . ? 0.908 118.2 36.1 -58.1 -38.5 31.5 -24.6 -39.8 +8IRA A 43 ILE H . . < . . S + . . . . ? 0.913 137.1 8.1 -78.7 -44.4 31.1 -21.3 -38.1 +8IRA A 44 ALA H . . < . . S + . . . . ? 0.362 79.9 128.1 -129.6 -0.2 32.8 -18.8 -40.4 +8IRA A 45 ALA P . . < . > . - . . . . ? -0.371 54.4 -123.8 -71.9 140.3 33.9 -20.3 -43.8 +8IRA A 46 PRO P . . . . P . - . . . . ? -0.304 47.9 -64.3 -74.9 168.1 32.8 -18.3 -46.9 +8IRA A 47 PRO P . . . . < . - . . . . ? -0.199 52.8 -142.6 -55.7 146.2 30.8 -20.0 -49.8 +8IRA A 48 VAL B . . . . . . - A A A . ? -0.909 12.8 -131.0 -116.6 137.5 32.5 -22.8 -51.7 +8IRA A 49 ASP . . > . . . . + . . . . ? -0.548 36.1 171.6 -85.3 74.9 32.3 -23.6 -55.4 +8IRA A 50 ILE T . 3 . . . S + . . . . ? 0.850 72.3 39.3 -54.8 -46.3 31.6 -27.3 -54.9 +8IRA A 51 ASP T . 3 . . . S - . . . . ? 0.273 106.5 -117.3 -98.6 11.8 30.8 -28.2 -58.5 +8IRA A 52 GLY S . < . . . S + . . . . ? 0.705 83.9 112.9 69.0 23.9 33.4 -26.0 -60.2 +8IRA A 53 ILE S . . . . . S - . . . . ? 0.021 93.5 -103.9 -118.5 26.3 30.9 -23.8 -62.1 +8IRA A 54 ARG S . . . . . S + . . . . ? 0.889 86.3 125.6 52.3 43.6 31.6 -20.6 -60.2 +8IRA A 55 GLU . . . . . . . - . . . . ? -0.762 51.8 -151.8 -129.4 79.7 28.3 -21.1 -58.3 +8IRA A 56 PRO . . . . . . . - . . . . ? -0.271 1.0 -147.6 -62.7 139.4 29.4 -20.9 -54.6 +8IRA A 57 VAL B . . . . . . - A B A . ? -0.922 15.0 -131.4 -104.8 131.5 27.3 -22.8 -52.0 +8IRA A 58 SER . . . . . . . + . . . . ? -0.737 35.8 160.6 -88.1 123.7 27.1 -21.3 -48.5 +8IRA A 59 GLY . . . . . . . + . . . . ? 0.580 41.3 88.7 -116.1 -18.0 27.8 -23.8 -45.7 +8IRA A 60 SER S . > . > . S - . . . . ? -0.527 73.5 -123.3 -100.9 156.7 28.7 -21.8 -42.6 +8IRA A 61 LEU G . > > 5 . S + . . . . ? 0.882 110.5 53.6 -61.0 -42.9 26.6 -20.3 -39.8 +8IRA A 62 LEU G . 3 4 5 . S + . . . . ? 0.696 104.0 58.1 -68.8 -22.1 27.7 -16.7 -40.3 +8IRA A 63 TYR G . < 4 5 . S - . . . . ? -0.071 135.4 -73.1 -101.8 32.4 26.8 -16.9 -43.9 +8IRA A 64 GLY T . < 4 5 . S + . . . . ? 0.741 91.4 123.7 96.5 28.1 23.1 -17.7 -43.3 +8IRA A 65 ASN . . . < < . . - . . . . ? -0.793 40.7 -154.5 -113.6 157.3 23.0 -21.3 -42.2 +8IRA A 66 ASN . . . > . . . - . . . . ? -0.604 46.2 -82.6 -110.5 -175.1 21.7 -23.0 -39.1 +8IRA A 67 ILE T . . 4 . . S + . . . . ? 0.814 128.2 45.4 -57.3 -36.1 22.8 -26.3 -37.5 +8IRA A 68 ILE T . . 4 . . S + . . . . ? 0.833 120.6 35.2 -78.8 -38.9 20.6 -28.4 -39.9 +8IRA A 69 THR T . . 4 . . S + . . . . ? 0.727 96.2 103.0 -89.4 -25.4 21.5 -26.6 -43.2 +8IRA A 70 GLY . . . < . . . + . . . . ? -0.162 43.1 155.9 -62.6 150.9 25.2 -25.9 -42.4 +8IRA A 71 ALA E . . . . . . - B C B . ? -0.977 50.3 -110.4 -158.4 161.7 28.1 -27.9 -43.8 +8IRA A 72 VAL E . . . . > . - B C B . ? -0.953 52.4 -131.7 -91.1 119.6 31.7 -27.9 -44.6 +8IRA A 73 VAL P . . . . P . - . . . . ? -0.517 16.1 -107.4 -82.0 135.2 31.4 -28.0 -48.4 +8IRA A 74 PRO P . . . . P . - . . . . ? -0.170 46.6 -89.0 -53.5 153.9 33.4 -30.5 -50.6 +8IRA A 75 SER P . . . . P . - . . . . ? -0.194 58.6 -72.6 -68.1 160.0 36.2 -29.1 -52.7 +8IRA A 76 SER P . > > . < . - . . . . ? -0.124 27.5 -132.9 -58.1 142.3 35.7 -27.8 -56.2 +8IRA A 77 ASN T . 3 4 . . S + . . . . ? 0.715 106.2 70.3 -62.7 -24.9 35.0 -30.2 -59.1 +8IRA A 78 ALA T . 3 4 . . S + . . . . ? 0.781 100.4 46.7 -63.1 -27.8 37.6 -28.2 -61.0 +8IRA A 79 ILE T . X 4 . . S + . . . . ? 0.749 83.4 173.6 -82.0 -30.6 40.2 -29.8 -58.7 +8IRA A 80 GLY T . 3 < . . S - . . . . ? -0.407 72.4 -19.5 59.0 -118.8 38.9 -33.3 -59.0 +8IRA A 81 LEU T . 3 . . . S + . . . . ? 0.219 101.8 128.7 -105.2 10.3 41.3 -35.7 -57.2 +8IRA A 82 HIS . . < . . . . - . . . . ? -0.386 68.1 -108.1 -63.6 144.0 44.2 -33.2 -57.2 +8IRA A 83 PHE . . . . . . . - . . . . ? -0.621 35.3 -172.4 -78.5 129.3 45.8 -32.6 -53.8 +8IRA A 84 TYR . . . . . . . + . . . . ? -0.555 12.4 164.6 -130.2 69.6 45.0 -29.1 -52.5 +8IRA A 85 PRO . . > . . . . - . . . . ? -0.310 54.4 -99.0 -74.3 169.7 46.9 -28.2 -49.4 +8IRA A 86 ILE G . > . . . S + . . . . ? 0.861 121.6 59.0 -56.6 -39.5 47.0 -24.6 -48.2 +8IRA A 87 TRP G . 3 . . . S + . . . . ? 0.567 94.8 64.2 -74.6 -8.0 50.5 -24.1 -49.8 +8IRA A 88 GLU G . < . . . S + . . . . ? 0.483 91.7 82.3 -88.2 -2.4 49.2 -25.0 -53.2 +8IRA A 89 ALA S . < . . . S - . . . . ? -0.796 78.1 -136.3 -102.3 146.5 46.9 -21.9 -53.2 +8IRA A 90 ALA S . . . . . S - . . . . ? 0.729 89.1 -2.4 -68.6 -23.8 48.0 -18.3 -54.0 +8IRA A 91 SER S . . > . . S - . . . . ? -0.981 70.4 -107.6 -157.7 165.1 46.1 -17.1 -51.0 +8IRA A 92 LEU H . . > . . S + . . . . ? 0.853 119.8 58.0 -59.8 -37.8 43.8 -18.3 -48.2 +8IRA A 93 ASP H . . > . . S + . . . . ? 0.903 107.7 45.8 -63.2 -41.2 41.0 -16.6 -50.0 +8IRA A 94 GLU H . . > . . S + . . . . ? 0.958 112.1 51.9 -60.7 -51.5 41.6 -18.7 -53.0 +8IRA A 95 TRP H . . < > . S + . . . . ? 0.841 111.3 47.0 -54.8 -40.4 41.9 -21.8 -50.8 +8IRA A 96 LEU H . > < 5 . S + . . . . ? 0.900 108.6 53.9 -70.3 -43.3 38.6 -21.1 -49.1 +8IRA A 97 TYR H . 3 < 5 . S + . . . . ? 0.881 110.7 47.3 -56.9 -40.8 36.7 -20.4 -52.4 +8IRA A 98 ASN T . 3 < 5 . S - . . . . ? 0.358 120.7 -104.1 -89.6 5.4 37.8 -23.8 -53.8 +8IRA A 99 GLY T . X > 5 . . + . . . . ? 0.803 61.2 158.3 77.8 32.1 36.8 -25.8 -50.7 +8IRA A 100 GLY H . > > < . . + . . . . ? 0.928 66.2 63.4 -48.8 -52.2 40.4 -26.3 -49.4 +8IRA A 101 PRO H . 3 > . . S + . . . . ? 0.827 93.9 61.6 -47.9 -39.8 39.2 -27.0 -45.8 +8IRA A 102 TYR H . < > . . S + . . . . ? 0.919 104.7 46.7 -51.7 -52.7 37.2 -30.1 -46.8 +8IRA A 103 GLN H . < X . . S + . . . . ? 0.919 112.9 50.4 -57.1 -43.7 40.4 -31.9 -48.0 +8IRA A 104 LEU H . . X . . S + . . . . ? 0.937 113.2 45.6 -62.7 -47.3 42.2 -30.9 -44.8 +8IRA A 105 ILE H . . X . . S + . . . . ? 0.945 115.7 43.1 -61.8 -50.5 39.4 -32.1 -42.5 +8IRA A 106 ILE H . . X . . S + . . . . ? 0.894 113.4 49.2 -70.9 -40.4 38.8 -35.5 -44.2 +8IRA A 107 PHE H . . X . . S + . . . . ? 0.940 116.6 42.7 -63.2 -47.4 42.4 -36.5 -44.8 +8IRA A 108 HIS H . . X . . S + . . . . ? 0.921 115.8 50.5 -60.3 -46.1 43.3 -35.7 -41.1 +8IRA A 109 PHE H . . X . . S + . . . . ? 0.915 110.2 47.6 -58.2 -49.5 40.1 -37.4 -39.9 +8IRA A 110 LEU H . . X . . S + . . . . ? 0.879 114.6 47.2 -64.3 -39.4 40.6 -40.6 -41.9 +8IRA A 111 LEU H . . X . . S + . . . . ? 0.939 114.6 46.6 -60.9 -50.9 44.2 -40.8 -40.7 +8IRA A 112 GLY H . . X . . S + . . . . ? 0.860 113.3 47.8 -61.0 -38.5 43.2 -40.1 -37.1 +8IRA A 113 ALA H . . X . . S + . . . . ? 0.836 108.6 54.2 -75.6 -35.4 40.3 -42.6 -37.1 +8IRA A 114 SER H . . X . . S + . . . . ? 0.897 111.3 46.1 -60.9 -40.8 42.5 -45.3 -38.6 +8IRA A 115 CYS H . . X . . S + . . . . ? 0.806 104.9 61.1 -71.9 -30.1 44.9 -44.8 -35.7 +8IRA A 116 TYR H . . X . . S + . . . . ? 0.922 106.7 46.6 -55.7 -45.5 41.9 -44.8 -33.3 +8IRA A 117 MET H . . X . . S + . . . . ? 0.898 112.5 48.8 -62.6 -45.9 41.3 -48.4 -34.6 +8IRA A 118 GLY H . . X . . S + . . . . ? 0.908 108.5 55.4 -59.2 -42.6 45.0 -49.2 -34.2 +8IRA A 119 ARG H . . X . . S + . . . . ? 0.784 101.7 56.6 -59.7 -33.7 44.9 -47.7 -30.7 +8IRA A 120 GLN H . . X . . S + . . . . ? 0.891 110.5 44.5 -65.9 -43.5 42.0 -50.0 -29.7 +8IRA A 121 TRP H . . X . . S + . . . . ? 0.931 112.0 55.1 -58.9 -46.5 44.2 -53.0 -30.6 +8IRA A 122 GLU H . . X . . S + . . . . ? 0.901 107.8 44.7 -62.3 -47.8 47.2 -51.5 -28.8 +8IRA A 123 LEU H . . X . . S + . . . . ? 0.859 108.4 58.9 -64.9 -35.1 45.6 -50.9 -25.4 +8IRA A 124 SER H . . X > . S + . . . . ? 0.878 106.1 49.4 -61.8 -37.7 44.0 -54.4 -25.5 +8IRA A 125 TYR H . > < 5 . S + . . . . ? 0.922 110.9 49.4 -64.8 -44.0 47.5 -55.8 -25.8 +8IRA A 126 ARG H . 3 < 5 . S + . . . . ? 0.787 113.8 45.8 -65.9 -30.3 48.8 -53.7 -22.9 +8IRA A 127 LEU H . 3 < 5 . S - . . . . ? 0.476 114.2 -110.6 -93.5 -4.2 45.9 -54.8 -20.6 +8IRA A 128 GLY T . < < 5 . S + . . . . ? 0.803 70.3 142.9 78.1 31.5 46.0 -58.6 -21.5 +8IRA A 129 MET . . . . < . . - . . . . ? -0.487 60.6 -93.2 -94.7 168.1 42.7 -58.5 -23.4 +8IRA A 130 ARG . . . . . . . - . . . . ? -0.527 40.7 -129.5 -77.9 152.3 41.7 -60.3 -26.5 +8IRA A 131 PRO S . > . . . S + . . . . ? 0.563 76.3 91.5 -88.8 -9.6 42.3 -58.1 -29.6 +8IRA A 132 TRP T . > > . . . + . . . . ? 0.285 51.0 93.7 -91.5 10.8 39.2 -57.9 -31.7 +8IRA A 133 ILE H . > > . . S + . . . . ? 0.887 87.6 58.0 -60.2 -36.1 37.3 -54.9 -30.5 +8IRA A 134 CYS H . < > . . S + . . . . ? 0.778 97.7 60.4 -63.5 -29.6 39.1 -53.0 -33.3 +8IRA A 135 VAL H . < 4 . . S + . . . . ? 0.820 103.4 50.4 -68.1 -31.7 37.7 -55.4 -35.8 +8IRA A 136 ALA H . X < . . S + . . . . ? 0.881 108.3 52.3 -71.1 -38.1 34.2 -54.3 -34.8 +8IRA A 137 TYR H . 3 X . . S + . . . . ? 0.699 91.7 76.7 -70.8 -19.6 35.2 -50.6 -35.2 +8IRA A 138 SER H . 3 X . . S + . . . . ? 0.755 86.2 63.9 -61.0 -24.7 36.4 -51.4 -38.7 +8IRA A 139 ALA H . < > . . S + . . . . ? 0.974 109.1 34.6 -67.3 -57.8 32.8 -51.5 -39.8 +8IRA A 140 PRO H . . > . . S + . . . . ? 0.890 119.6 53.5 -60.4 -38.2 32.0 -47.8 -39.1 +8IRA A 141 LEU H . . X . . S + . . . . ? 0.930 107.0 49.8 -62.8 -46.2 35.5 -46.9 -40.1 +8IRA A 142 ALA H . . X . . S + . . . . ? 0.846 108.8 54.9 -59.4 -34.0 35.2 -48.6 -43.5 +8IRA A 143 SER H . . X . . S + . . . . ? 0.883 105.7 50.6 -68.8 -40.2 31.9 -46.8 -44.0 +8IRA A 144 ALA H . . X . . S + . . . . ? 0.899 110.1 50.4 -63.2 -41.1 33.6 -43.4 -43.4 +8IRA A 145 PHE H . . X > . S + . . . . ? 0.903 106.0 58.5 -59.6 -40.3 36.3 -44.3 -46.0 +8IRA A 146 ALA I . . < > . S + . . . . ? 0.892 114.6 32.3 -57.9 -44.1 33.6 -45.3 -48.4 +8IRA A 147 VAL I . . < 5 . S + . . . . ? 0.662 126.1 39.1 -94.0 -19.6 31.9 -41.9 -48.5 +8IRA A 148 PHE I . . < 5 . S + . . . . ? 0.678 134.9 3.6 -102.2 -22.3 34.9 -39.6 -48.0 +8IRA A 149 LEU I . . X 5 . S + . . . . ? 0.677 122.6 49.3 -128.7 -58.4 37.5 -41.3 -50.1 +8IRA A 150 ILE I . . > < . S + . . . . ? 0.903 112.0 48.9 -62.8 -44.6 36.6 -44.4 -52.1 +8IRA A 151 TYR H . . > < . S + . . . . ? 0.937 111.7 49.8 -64.8 -48.0 33.5 -42.9 -53.7 +8IRA A 152 PRO H . . > > . S + . . . . ? 0.903 110.3 52.0 -48.5 -43.7 35.4 -39.7 -54.8 +8IRA A 153 ILE H . . < 5 . S + . . . . ? 0.919 111.2 45.8 -63.5 -45.1 38.1 -41.9 -56.3 +8IRA A 154 GLY H . . < 5 . S + . . . . ? 0.867 119.8 39.6 -63.9 -39.1 35.7 -44.0 -58.3 +8IRA A 155 GLN H . . < 5 . S - . . . . ? 0.512 111.1 -121.5 -92.8 -9.5 33.8 -40.9 -59.6 +8IRA A 156 GLY T . . < 5 . S + . . . . ? 0.655 77.8 74.1 83.9 19.7 37.0 -38.9 -60.0 +8IRA A 157 SER . . > . < . . - . . . . ? -0.886 65.1 -143.0 -165.5 133.5 36.3 -35.9 -57.7 +8IRA A 158 PHE G . > . . . S + . . . . ? 0.610 98.1 80.4 -65.2 -12.7 36.2 -35.0 -54.0 +8IRA A 159 SER G . 3 . . . S + . . . . ? 0.612 91.4 50.4 -69.8 -15.4 33.2 -32.8 -55.0 +8IRA A 160 ASP G . < . . . S + . . . . ? 0.164 88.8 109.6 -107.6 15.2 31.1 -36.0 -55.0 +8IRA A 161 GLY S . < . . > S - . . . . ? -0.419 87.6 -82.1 -75.2 164.1 32.3 -36.9 -51.5 +8IRA A 162 MET P . . . . P . - . . . . ? -0.518 47.9 -120.5 -73.0 129.9 29.8 -36.7 -48.7 +8IRA A 163 PRO P . . . . < . - . . . . ? -0.306 20.8 -116.2 -63.9 155.1 29.5 -33.1 -47.3 +8IRA A 164 LEU E . . . . . S + B D B . ? -0.644 83.6 76.6 -94.9 75.5 30.3 -32.5 -43.7 +8IRA A 165 GLY E . . > . . S - B D B . ? -0.955 84.1 -106.8 -177.1 160.5 26.8 -31.5 -42.6 +8IRA A 166 ILE H . . > . . S + . . . . ? 0.956 118.6 33.1 -66.5 -55.8 23.3 -32.6 -41.9 +8IRA A 167 SER H . . > . . S + . . . . ? 0.763 115.3 60.8 -72.0 -26.7 21.5 -31.5 -45.0 +8IRA A 168 GLY H . . > . . S + . . . . ? 0.869 101.0 54.3 -64.3 -38.6 24.6 -32.1 -47.0 +8IRA A 169 THR H . . X . . S + . . . . ? 0.891 107.4 49.7 -59.6 -42.2 24.4 -35.7 -46.0 +8IRA A 170 PHE H . . X . . S + . . . . ? 0.889 108.0 53.8 -67.1 -37.8 20.8 -35.9 -47.3 +8IRA A 171 ASN H . . X . . S + . . . . ? 0.912 109.1 49.3 -58.5 -42.9 21.9 -34.3 -50.6 +8IRA A 172 PHE H . . X . . S + . . . . ? 0.925 111.1 49.6 -63.0 -45.9 24.5 -37.0 -50.9 +8IRA A 173 MET H . . X . . S + . . . . ? 0.867 111.8 46.9 -60.3 -41.5 22.0 -39.8 -50.2 +8IRA A 174 ILE H . . X . . S + . . . . ? 0.914 113.3 46.4 -73.5 -45.2 19.4 -38.5 -52.8 +8IRA A 175 VAL H . . X . . S + . . . . ? 0.872 110.2 56.3 -61.6 -36.7 21.9 -38.0 -55.6 +8IRA A 176 PHE H . . X . . S + . . . . ? 0.927 106.4 49.0 -62.4 -45.5 23.3 -41.5 -54.8 +8IRA A 177 GLN H . . X . . S + . . . . ? 0.903 111.9 49.8 -59.8 -44.7 19.9 -43.1 -55.2 +8IRA A 178 ALA H . . < . . S + . . . . ? 0.849 119.1 36.5 -59.7 -38.8 19.5 -41.3 -58.6 +8IRA A 179 GLU H . . < . . S + . . . . ? 0.701 135.7 16.7 -94.9 -18.9 22.8 -42.3 -59.9 +8IRA A 180 HIS H . . < . . S - . . . . ? 0.432 84.8 -129.8 -132.3 -4.8 23.1 -45.9 -58.5 +8IRA A 181 ASN . . > < . . . + . . . . ? 0.928 36.3 177.9 45.4 54.2 19.7 -47.0 -57.4 +8IRA A 182 ILE G . > . . . . + . . . . ? 0.791 68.4 67.0 -57.7 -32.9 21.2 -48.0 -54.0 +8IRA A 183 LEU G . 3 . . . S + . . . . ? 0.857 102.2 48.4 -59.2 -32.4 17.9 -49.1 -52.5 +8IRA A 184 MET G . < . . . S + . . . . ? 0.266 89.2 104.2 -91.1 10.5 17.8 -52.0 -55.1 +8IRA A 185 HIS . . X > . . . - . . . . ? -0.812 68.3 -142.5 -94.2 126.9 21.4 -53.0 -54.2 +8IRA A 186 PRO H . 3 > . . S + . . . . ? 0.765 99.2 59.4 -60.5 -24.9 21.6 -56.1 -52.1 +8IRA A 187 PHE H . 3 > . . S + . . . . ? 0.814 107.1 45.7 -75.2 -30.5 24.6 -54.8 -50.1 +8IRA A 188 HIS H . < > . . S + . . . . ? 0.882 112.3 52.8 -70.6 -40.0 22.5 -51.8 -49.0 +8IRA A 189 GLN H . . X . . S + . . . . ? 0.901 108.7 48.3 -62.9 -42.7 19.7 -54.2 -48.1 +8IRA A 190 LEU H . . X . . S + . . . . ? 0.850 109.7 55.3 -62.5 -35.4 22.1 -56.3 -46.0 +8IRA A 191 GLY H . . X . . S + . . . . ? 0.915 106.9 47.8 -62.5 -45.5 23.2 -53.0 -44.4 +8IRA A 192 VAL H . . X . . S + . . . . ? 0.913 111.6 50.6 -59.8 -44.9 19.6 -52.2 -43.5 +8IRA A 193 ALA H . . X . . S + . . . . ? 0.898 109.1 54.6 -58.0 -42.0 19.2 -55.7 -42.1 +8IRA A 194 GLY H . . X . . S + . . . . ? 0.907 117.2 32.0 -56.0 -50.9 22.4 -55.1 -40.2 +8IRA A 195 VAL H . . X . . S + . . . . ? 0.866 121.6 47.8 -84.4 -37.8 21.3 -51.9 -38.4 +8IRA A 196 PHE H . . X . . S + . . . . ? 0.943 118.6 43.3 -60.7 -46.7 17.6 -52.8 -38.1 +8IRA A 197 GLY H . . X . . S + . . . . ? 0.858 111.3 54.8 -65.5 -38.7 18.7 -56.1 -36.8 +8IRA A 198 GLY H . . X . . S + . . . . ? 0.922 111.0 44.6 -59.4 -46.1 21.3 -54.5 -34.6 +8IRA A 199 ALA H . . X . . S + . . . . ? 0.885 113.6 51.6 -65.5 -40.5 18.7 -52.3 -33.0 +8IRA A 200 LEU H . . X . . S + . . . . ? 0.965 113.4 42.0 -58.3 -56.1 16.3 -55.2 -32.6 +8IRA A 201 PHE H . . X . . S + . . . . ? 0.810 110.9 58.9 -67.3 -29.3 18.9 -57.4 -30.9 +8IRA A 202 CYS H . . X . . S + . . . . ? 0.973 111.7 38.7 -58.2 -57.2 20.0 -54.4 -28.8 +8IRA A 203 ALA H . . X . . S + . . . . ? 0.872 116.8 54.2 -60.9 -38.1 16.5 -54.0 -27.4 +8IRA A 204 MET H . . X . . S + . . . . ? 0.963 111.9 40.8 -61.5 -55.9 16.1 -57.7 -27.2 +8IRA A 205 HIS H . . X . . S + . . . . ? 0.900 117.3 50.2 -61.3 -43.5 19.3 -58.3 -25.1 +8IRA A 206 GLY H . . X . . S + . . . . ? 0.887 112.3 45.9 -59.8 -42.7 18.6 -55.3 -23.0 +8IRA A 207 SER H . . X . . S + . . . . ? 0.858 113.1 49.1 -73.6 -35.0 15.0 -56.3 -22.2 +8IRA A 208 LEU H . . X . . S + . . . . ? 0.927 113.9 43.8 -72.9 -45.5 15.9 -59.9 -21.4 +8IRA A 209 VAL H . > < . . S + . . . . ? 0.926 116.4 48.4 -62.1 -46.1 18.7 -59.1 -19.0 +8IRA A 210 THR H . > < . . S + . . . . ? 0.855 107.5 56.8 -61.8 -34.4 16.6 -56.4 -17.4 +8IRA A 211 SER H . 3 < . . S + . . . . ? 0.729 110.7 43.3 -69.5 -23.3 13.7 -58.8 -17.1 +8IRA A 212 SER T . < < . . S + . . . . ? 0.022 74.9 142.4 -118.1 26.9 15.7 -61.3 -15.1 +8IRA A 213 LEU B . < . . . . - C E C . ? -0.494 56.0 -116.1 -63.8 131.8 17.6 -59.0 -12.7 +8IRA A 214 ILE B . . . . . . - D G D . ? -0.500 33.6 -101.7 -71.4 138.5 17.8 -60.7 -9.3 +8IRA A 215 ARG . . . . . . . + . . . . ? -0.517 64.4 140.9 -66.5 110.7 16.0 -58.9 -6.5 +8IRA A 216 GLU . . . . . . . + . . . . ? 0.308 58.3 55.2 -126.0 -0.3 18.6 -57.0 -4.5 +8IRA A 217 THR S . . . . . S - . . . . ? -0.871 75.5 -113.6 -138.5 160.1 16.7 -53.8 -3.8 +8IRA A 218 THR . . > . . . . - . . . . ? -0.408 41.4 -103.1 -87.0 173.3 13.5 -52.4 -2.4 +8IRA A 219 GLU T . 3 . . . S + . . . . ? 0.656 116.0 62.5 -77.9 -15.2 10.9 -50.7 -4.5 +8IRA A 220 THR T . 3 . . . S + . . . . ? 0.427 99.9 62.6 -86.4 -1.0 11.9 -47.2 -3.4 +8IRA A 221 GLU S . < . . . S - . . . . ? -0.936 94.8 -94.0 -127.1 150.3 15.4 -47.5 -4.8 +8IRA A 222 SER . . > . . . . - . . . . ? -0.335 27.6 -133.3 -56.5 136.6 16.8 -47.9 -8.3 +8IRA A 223 ALA G . > . . . S + . . . . ? 0.697 100.0 78.0 -64.4 -19.5 17.4 -51.6 -9.2 +8IRA A 224 ASN G . > . . . S + . . . . ? 0.814 80.8 65.9 -61.6 -31.0 20.8 -50.5 -10.6 +8IRA A 225 TYR G . < . . . S + . . . . ? 0.553 83.7 76.6 -68.6 -7.2 22.1 -50.3 -7.0 +8IRA A 226 GLY G . < . . . S + . . . . ? 0.613 88.2 67.8 -76.4 -15.7 21.7 -54.1 -6.8 +8IRA A 227 TYR S . < . . . S - . . . . ? -0.909 70.7 -159.2 -104.0 135.3 24.9 -54.4 -8.9 +8IRA A 228 LYS . . > . . . . - . . . . ? -0.974 31.0 -104.4 -115.5 127.0 28.3 -53.4 -7.5 +8IRA A 229 PHE T . 3 . . . S + . . . . ? -0.189 105.1 11.8 -49.5 123.1 31.2 -52.6 -9.8 +8IRA A 230 GLY T . 3 . . . S + . . . . ? 0.439 86.4 155.6 88.8 3.0 33.6 -55.5 -9.8 +8IRA A 231 GLN . . < . . . . - . . . . ? -0.320 42.6 -136.4 -66.3 146.9 31.4 -58.0 -8.1 +8IRA A 232 GLU S . . . . . S + . . . . ? 0.829 77.7 73.3 -72.7 -37.8 32.2 -61.7 -8.7 +8IRA A 233 GLU B . . . . . S - E I E . ? -0.540 88.1 -104.5 -90.2 146.8 28.6 -63.0 -9.2 +8IRA A 234 GLU . . . . . . . - . . . . ? -0.339 22.2 -142.5 -65.5 148.4 26.3 -62.4 -12.2 +8IRA A 235 THR S . . . . . S + . . . . ? 0.456 77.7 42.3 -100.1 -5.1 23.6 -59.9 -11.6 +8IRA A 236 TYR B . . . . . S - C F C . ? -0.909 82.6 -112.5 -135.3 166.7 20.8 -61.6 -13.6 +8IRA A 237 ASN . . . > . . . - . . . . ? -0.850 24.7 -174.8 -104.4 98.6 19.6 -65.2 -14.0 +8IRA A 238 ILE H . . > . . S + . . . . ? 0.799 83.5 60.0 -65.5 -29.4 20.3 -66.3 -17.6 +8IRA A 239 VAL H . . > . . S + . . . . ? 0.883 106.0 47.6 -65.8 -39.2 18.5 -69.6 -17.1 +8IRA A 240 ALA H . . > . . S + . . . . ? 0.859 112.1 50.0 -66.9 -38.3 15.3 -67.6 -16.3 +8IRA A 241 ALA H . . X . . S + . . . . ? 0.907 112.5 46.4 -65.4 -45.4 15.8 -65.4 -19.4 +8IRA A 242 HIS H . . X . . S + . . . . ? 0.866 109.5 55.6 -62.2 -39.6 16.3 -68.5 -21.6 +8IRA A 243 GLY H . . X . . S + . . . . ? 0.841 113.3 42.0 -61.8 -35.8 13.2 -70.1 -20.0 +8IRA A 244 TYR H . . X . . S + . . . . ? 0.966 118.7 41.3 -71.9 -58.0 11.2 -67.0 -21.0 +8IRA A 245 PHE H . . X . . S + . . . . ? 0.807 110.1 58.4 -67.6 -34.6 12.6 -66.5 -24.5 +8IRA A 246 GLY H . . < . . S + . . . . ? 0.883 110.7 42.6 -58.6 -41.1 12.6 -70.2 -25.3 +8IRA A 247 ARG H . . < . . S + . . . . ? 0.767 106.4 62.9 -78.8 -25.7 8.9 -70.4 -24.7 +8IRA A 248 LEU H . . < . . S - . . . . ? 0.893 132.5 -1.3 -64.7 -41.2 8.2 -67.2 -26.5 +8IRA A 249 ILE S . . < . . S - . . . . ? 0.619 122.3 -61.4 -106.9 -93.6 9.5 -68.7 -29.7 +8IRA A 250 PHE . . > . . . . - . . . . ? -0.932 49.1 -99.4 -157.1 157.2 10.7 -72.3 -29.2 +8IRA A 251 GLN G . > . . . S + . . . . ? 0.773 116.7 50.4 -49.2 -41.5 13.4 -73.7 -27.0 +8IRA A 252 TYR G . 3 . . . S + . . . . ? 0.348 98.2 65.9 -89.0 5.2 16.1 -74.1 -29.6 +8IRA A 253 ALA G . < . . . S + . . . . ? 0.412 91.7 84.8 -93.3 -3.4 15.8 -70.6 -31.0 +8IRA A 254 SER S . < . . . S - . . . . ? -0.833 75.5 -131.4 -109.6 135.3 17.1 -69.3 -27.7 +8IRA A 255 PHE . . . . . . . + . . . . ? -0.688 26.7 169.0 -80.1 131.5 20.7 -68.9 -26.5 +8IRA A 256 ASN . . . . . . . + . . . . ? 0.499 63.8 82.9 -111.4 -14.2 21.6 -70.2 -23.1 +8IRA A 257 ASN . . . > . . . - . . . . ? -0.836 66.1 -160.6 -88.1 114.7 25.4 -69.8 -23.8 +8IRA A 258 SER H . . > . . S + . . . . ? 0.795 87.4 55.7 -66.5 -30.7 26.2 -66.1 -22.9 +8IRA A 259 ARG H . . > . . S + . . . . ? 0.943 110.0 43.2 -69.7 -48.1 29.4 -66.2 -24.9 +8IRA A 260 SER H . . > . . S + . . . . ? 0.862 113.9 54.5 -64.0 -35.3 27.8 -67.3 -28.2 +8IRA A 261 LEU H . . X . . S + . . . . ? 0.958 110.3 43.2 -59.9 -54.1 25.0 -64.8 -27.5 +8IRA A 262 HIS H . . X . . S + . . . . ? 0.805 111.8 56.0 -67.8 -27.0 27.3 -61.8 -27.1 +8IRA A 263 PHE H . . X . . S + . . . . ? 0.926 106.4 50.0 -64.3 -47.1 29.3 -63.0 -30.1 +8IRA A 264 PHE H . . X . . S + . . . . ? 0.905 107.6 54.7 -55.6 -44.1 26.1 -63.0 -32.2 +8IRA A 265 LEU H . . < . . S + . . . . ? 0.879 113.4 42.0 -57.4 -42.1 25.4 -59.4 -30.9 +8IRA A 266 ALA H . . X . . S + . . . . ? 0.966 116.3 47.4 -66.7 -53.3 28.9 -58.4 -32.2 +8IRA A 267 ALA H . . X . . S + . . . . ? 0.860 102.2 59.5 -61.6 -45.5 28.8 -60.2 -35.5 +8IRA A 268 TRP H . . X . . S + . . . . ? 0.928 113.0 32.7 -60.6 -57.1 25.4 -59.3 -36.9 +8IRA A 269 PRO H . . > . . S + . . . . ? 0.869 119.4 54.1 -66.7 -34.6 25.6 -55.5 -37.1 +8IRA A 270 VAL H . . X . . S + . . . . ? 0.974 112.0 42.2 -64.1 -53.2 29.3 -55.6 -37.9 +8IRA A 271 VAL H . . X . . S + . . . . ? 0.906 115.3 52.2 -58.7 -42.9 29.0 -57.9 -40.8 +8IRA A 272 GLY H . . X . . S + . . . . ? 0.928 110.5 45.8 -59.5 -48.7 25.9 -56.0 -42.0 +8IRA A 273 VAL H . . X . . S + . . . . ? 0.787 106.5 60.4 -68.4 -29.1 27.6 -52.6 -41.9 +8IRA A 274 TRP H . . X . . S + . . . . ? 0.946 106.5 46.9 -57.1 -48.8 30.6 -54.2 -43.7 +8IRA A 275 PHE H . . X . . S + . . . . ? 0.862 110.4 53.0 -62.4 -35.2 28.2 -55.0 -46.6 +8IRA A 276 ALA H . . X . . S + . . . . ? 0.971 110.6 46.5 -61.1 -52.5 26.9 -51.4 -46.4 +8IRA A 277 ALA H . . X . . S + . . . . ? 0.883 112.8 50.2 -55.0 -41.1 30.5 -50.1 -46.7 +8IRA A 278 LEU H . . X . . S + . . . . ? 0.800 105.2 58.1 -71.7 -28.6 31.1 -52.5 -49.6 +8IRA A 279 GLY H . . X . . S + . . . . ? 0.959 111.0 40.3 -61.9 -53.3 28.0 -51.3 -51.3 +8IRA A 280 ILE H . . X . . S + . . . . ? 0.892 115.8 53.0 -61.0 -40.5 29.1 -47.7 -51.4 +8IRA A 281 SER H . . < . . S + . . . . ? 0.748 114.6 40.2 -70.7 -26.1 32.6 -48.8 -52.2 +8IRA A 282 THR H . > < > . S + . . . . ? 0.782 110.0 55.8 -92.4 -31.9 31.5 -50.9 -55.2 +8IRA A 283 MET H . > < 5 . S + . . . . ? 0.714 93.1 75.2 -69.2 -18.4 28.9 -48.5 -56.5 +8IRA A 284 ALA T . 3 < 5 . S + . . . . ? 0.773 97.9 44.8 -58.7 -26.6 31.9 -46.2 -56.5 +8IRA A 285 PHE T . < . 5 . S - . . . . ? -0.015 125.9 -107.0 -108.1 26.1 32.9 -48.1 -59.6 +8IRA A 286 ASN T . < . 5 . S + . . . . ? 0.741 70.9 143.2 59.4 33.8 29.3 -47.9 -61.0 +8IRA A 287 LEU E . . . < . . - F K F . ? -0.879 43.1 -169.5 -96.1 96.5 28.2 -51.5 -60.4 +8IRA A 288 ASN E . . . . . . - F K F . ? -0.160 19.7 -69.9 -97.3 177.3 24.7 -50.4 -59.5 +8IRA A 289 GLY S . . . . . S - . . . . ? -0.090 70.4 -67.2 -59.2 159.0 21.5 -51.7 -58.0 +8IRA A 290 PHE . . . . . . . - . . . . ? -0.203 47.4 -149.4 -46.2 133.4 19.2 -54.2 -59.8 +8IRA A 291 ASN . . . . . . . + . . . . ? -0.934 30.7 159.4 -114.6 105.0 17.5 -52.6 -62.8 +8IRA A 292 PHE . . > . . . . + . . . . ? -0.105 20.8 152.1 -112.3 32.9 14.1 -54.1 -63.6 +8IRA A 293 ASN T . 3 . . . S - . . . . ? -0.549 80.7 -8.5 -69.6 117.1 13.0 -51.1 -65.7 +8IRA A 294 HIS T . 3 . . . S + . . . . ? 0.770 91.6 140.3 62.1 31.8 10.4 -52.4 -68.2 +8IRA A 295 SER . . < . . . . + . . . . ? 0.830 56.6 65.4 -70.0 -35.4 11.2 -56.0 -67.2 +8IRA A 296 VAL . . . . . . . + . . . . ? -0.838 65.7 172.3 -94.8 127.4 7.5 -57.0 -67.4 +8IRA A 297 ILE B . . . . . . - G N H . ? -0.961 24.0 -129.7 -132.1 143.7 6.0 -56.8 -70.9 +8IRA A 298 ASP . . . . . . . - . . . . ? -0.175 40.4 -85.8 -88.0 -173.5 2.5 -58.1 -72.1 +8IRA A 299 ALA S . . . . . S + . . . . ? 0.783 128.9 44.3 -65.4 -32.4 1.7 -60.3 -75.0 +8IRA A 300 LYS S . . . . . S - . . . . ? 0.787 124.1 -99.5 -77.6 -32.6 1.6 -57.4 -77.5 +8IRA A 301 GLY S . . . . . S + . . . . ? 0.397 71.3 147.3 119.5 3.4 4.7 -55.8 -76.1 +8IRA A 302 ASN . . . . . . . - . . . . ? -0.346 54.1 -109.8 -63.6 151.7 3.2 -53.1 -73.9 +8IRA A 303 VAL B . . . . . . - G O H . ? -0.772 25.2 -158.2 -87.0 125.1 5.1 -52.2 -70.8 +8IRA A 304 ILE . . . . . . . - . . . . ? -0.914 22.6 -134.5 -100.7 105.2 3.4 -53.4 -67.6 +8IRA A 305 ASN . . . . . . . - . . . . ? -0.228 22.1 -170.7 -62.6 144.0 4.8 -51.2 -64.8 +8IRA A 306 THR . . > > . . . - . . . . ? -0.619 47.4 -88.7 -113.6 -179.0 5.9 -52.7 -61.5 +8IRA A 307 TRP H . 3 > . . S + . . . . ? 0.751 126.6 65.0 -60.8 -25.6 6.9 -50.8 -58.4 +8IRA A 308 ALA H . 3 > . . S + . . . . ? 0.850 99.1 51.8 -65.4 -34.8 10.5 -50.8 -59.8 +8IRA A 309 ASP H . < > . . S + . . . . ? 0.829 107.4 52.4 -71.3 -30.5 9.3 -48.6 -62.6 +8IRA A 310 ILE H . . X . . S + . . . . ? 0.892 107.4 51.4 -69.1 -42.0 7.7 -46.2 -60.0 +8IRA A 311 ILE H . . X . . S + . . . . ? 0.874 107.4 55.4 -55.4 -39.7 11.1 -46.0 -58.2 +8IRA A 312 ASN H . . X . . S + . . . . ? 0.900 102.8 54.0 -63.0 -43.1 12.6 -45.2 -61.6 +8IRA A 313 ARG H . . X . . S + . . . . ? 0.873 111.6 45.1 -57.0 -43.5 10.2 -42.2 -62.1 +8IRA A 314 ALA H . . X . . S + . . . . ? 0.913 111.1 53.0 -67.4 -44.2 11.4 -40.8 -58.8 +8IRA A 315 ASN H . . X . . S + . . . . ? 0.871 106.2 54.7 -56.4 -38.4 15.0 -41.5 -59.6 +8IRA A 316 LEU H . . X . . S + . . . . ? 0.867 104.5 53.5 -64.4 -39.1 14.5 -39.6 -62.8 +8IRA A 317 GLY H . . X . . S + . . . . ? 0.869 111.9 45.0 -63.1 -39.5 13.2 -36.5 -61.0 +8IRA A 318 MET H . . X . . S + . . . . ? 0.926 114.0 50.7 -66.2 -48.5 16.4 -36.6 -58.8 +8IRA A 319 GLU H . . < . . S + . . . . ? 0.919 110.0 46.9 -53.2 -53.4 18.6 -37.1 -61.8 +8IRA A 320 VAL H . . < . . S + . . . . ? 0.655 118.6 40.2 -73.5 -17.3 17.2 -34.3 -63.9 +8IRA A 321 MET H . > < . . S + . . . . ? 0.693 87.3 103.6 -102.9 -25.4 17.3 -31.7 -61.2 +8IRA A 322 HIS T . 3 < . . S - . . . . ? -0.269 98.3 -1.2 -63.3 144.7 20.6 -32.4 -59.3 +8IRA A 323 GLU T . > . . . S - . . . . ? 0.883 84.9 -168.9 42.4 57.7 23.5 -30.0 -60.0 +8IRA A 324 ARG T . < . . . S + . . . . ? 0.599 75.7 36.7 -61.0 -21.5 21.1 -28.2 -62.4 +8IRA A 325 ASN T . 3 . . . S + . . . . ? 0.266 99.1 82.0 -110.6 11.0 23.7 -26.0 -64.1 +8IRA A 326 ALA S . < . . . S + . . . . ? 0.498 75.4 71.8 -101.1 -7.4 26.6 -28.4 -64.2 +8IRA A 327 HIS . . . . . . . + . . . . ? -0.949 36.8 167.3 -120.0 131.1 25.9 -30.6 -67.3 +8IRA A 328 ASN . . . . . . . + . . . . ? 0.518 69.0 59.9 -109.4 -14.6 26.2 -29.5 -70.9 +8IRA A 329 PHE S . . . . . S - . . . . ? -0.833 90.3 -109.5 -122.9 155.7 25.9 -33.0 -72.5 +8IRA A 330 PRO S . . . . . S + . . . . ? 0.640 93.0 62.3 -67.6 -18.8 23.0 -35.5 -72.2 +8IRA A 331 LEU . . . . . . . - . . . . ? -0.922 65.7 -146.8 -115.0 130.5 24.6 -38.2 -70.0 +8IRA A 332 ASP . . . . . . . + . . . . ? -0.751 29.2 168.7 -87.8 87.9 25.8 -37.9 -66.4 +8IRA A 333 LEU . . . . . . . . . . . . ? 0.520 . . -86.7 -6.0 28.7 -40.3 -66.7 +8IRA A 334 ALA . . . . . . . . . . . . ? 0.263 . . -157.7 . 30.3 -39.4 -63.4 +8IRA B 1 GLY . . . . . . . . . . . . ? . . . . -176.1 16.7 -42.3 -2.1 +8IRA B 2 LEU B . . . . . . - O AM Z . ? -0.442 . -118.9 -58.9 130.7 13.8 -42.2 -4.6 +8IRA B 3 PRO . . > . . . . - . . . . ? -0.340 29.4 -105.9 -63.2 159.1 14.9 -41.7 -8.2 +8IRA B 4 TRP G . > . . . S + . . . . ? 0.811 117.7 59.7 -60.1 -33.1 13.6 -38.6 -9.8 +8IRA B 5 TYR G . 3 . . . S + . . . . ? 0.442 108.1 45.3 -78.9 -0.8 11.1 -40.5 -12.0 +8IRA B 6 ARG G . X . . . S + . . . . ? 0.261 71.2 113.9 -122.7 8.3 9.4 -42.0 -8.9 +8IRA B 7 VAL G . X . . . S + . . . . ? 0.811 75.8 57.1 -54.0 -33.5 8.9 -39.0 -6.6 +8IRA B 8 HIS G . > . . . S + . . . . ? 0.575 80.5 87.3 -80.1 -6.2 5.1 -39.1 -6.9 +8IRA B 9 THR G . X . . . . + . . . . ? 0.566 68.3 81.4 -65.5 -10.5 4.9 -42.7 -5.7 +8IRA B 10 VAL G . < . . . S + . . . . ? 0.557 85.1 60.5 -71.6 -11.0 4.7 -41.3 -2.1 +8IRA B 11 LEU G . X . . . S + . . . . ? 0.558 75.5 93.6 -88.6 -11.7 1.0 -40.6 -2.7 +8IRA B 12 ILE T . < . . . S + . . . . ? 0.808 98.9 27.7 -54.7 -37.9 0.1 -44.3 -3.3 +8IRA B 13 ASN T . 3 . . . S + . . . . ? -0.044 107.3 81.1 -114.3 30.0 -0.9 -45.0 0.3 +8IRA B 14 ASP . . < > . . . + . . . . ? -0.702 49.7 174.9 -135.1 77.2 -1.9 -41.4 1.3 +8IRA B 15 PRO H . . > . . S + . . . . ? 0.890 79.2 56.5 -55.1 -40.5 -5.5 -40.8 -0.0 +8IRA B 16 GLY H . . > . . S + . . . . ? 0.920 112.7 38.8 -57.0 -48.5 -5.6 -37.3 1.6 +8IRA B 17 ARG H . . > . . S + . . . . ? 0.775 111.0 59.4 -78.0 -25.1 -2.5 -36.0 -0.2 +8IRA B 18 LEU H . . X . . S + . . . . ? 0.961 107.1 47.6 -61.4 -48.2 -3.5 -37.9 -3.4 +8IRA B 19 ILE H . . X . . S + . . . . ? 0.913 110.3 52.6 -56.6 -43.8 -6.7 -35.8 -3.3 +8IRA B 20 ALA H . . X . . S + . . . . ? 0.888 109.9 47.9 -58.4 -39.8 -4.6 -32.7 -2.7 +8IRA B 21 ALA H . . X . . S + . . . . ? 0.867 112.6 48.8 -69.0 -38.2 -2.5 -33.5 -5.7 +8IRA B 22 HIS H . . X . . S + . . . . ? 0.871 110.3 51.8 -68.7 -36.9 -5.6 -34.1 -7.8 +8IRA B 23 LEU H . . X . . S + . . . . ? 0.908 109.6 49.5 -62.4 -42.2 -7.0 -30.8 -6.5 +8IRA B 24 MET H . . X . . S + . . . . ? 0.936 110.6 49.5 -67.3 -43.3 -3.9 -29.0 -7.5 +8IRA B 25 HIS H . . X . . S + . . . . ? 0.925 111.4 48.9 -58.4 -45.3 -3.9 -30.5 -11.0 +8IRA B 26 THR H . . X . . S + . . . . ? 0.909 110.2 52.5 -61.9 -42.2 -7.6 -29.5 -11.4 +8IRA B 27 ALA H . . X . . S + . . . . ? 0.891 109.7 48.6 -55.7 -44.4 -6.7 -26.0 -10.3 +8IRA B 28 LEU H . . X . . S + . . . . ? 0.887 112.0 47.8 -66.1 -40.6 -3.9 -25.8 -12.9 +8IRA B 29 VAL H . . X . . S + . . . . ? 0.899 113.5 46.3 -70.6 -41.5 -6.1 -27.0 -15.7 +8IRA B 30 ALA H . . X . . S + . . . . ? 0.879 111.1 54.7 -65.3 -37.9 -9.0 -24.6 -14.9 +8IRA B 31 GLY H . . X . . S + . . . . ? 0.893 108.2 49.1 -59.3 -42.3 -6.4 -21.8 -14.5 +8IRA B 32 TRP H . . X . . S + . . . . ? 0.924 107.6 53.0 -61.4 -49.8 -5.1 -22.6 -18.0 +8IRA B 33 ALA H . . X . . S + . . . . ? 0.927 113.8 44.1 -54.5 -46.3 -8.6 -22.5 -19.5 +8IRA B 34 GLY H . . X . . S + . . . . ? 0.934 115.3 46.5 -62.8 -50.7 -9.2 -19.1 -18.0 +8IRA B 35 SER H . . X . . S + . . . . ? 0.922 112.3 51.3 -58.2 -45.0 -5.8 -17.7 -19.0 +8IRA B 36 MET H . . X . . S + . . . . ? 0.901 110.4 49.0 -62.7 -40.6 -6.1 -19.1 -22.5 +8IRA B 37 ALA H . . X . . S + . . . . ? 0.939 110.1 50.7 -64.2 -47.1 -9.6 -17.5 -23.0 +8IRA B 38 LEU H . . X . . S + . . . . ? 0.834 110.7 49.1 -60.8 -34.0 -8.4 -14.1 -21.7 +8IRA B 39 TYR H . . X . . S + . . . . ? 0.878 111.2 49.6 -73.5 -39.1 -5.4 -14.2 -24.1 +8IRA B 40 GLU H . > X . . S + . . . . ? 0.915 110.2 50.7 -63.0 -41.7 -7.7 -15.1 -27.0 +8IRA B 41 LEU H . 3 < . . S + . . . . ? 0.857 106.6 55.4 -66.1 -34.6 -10.1 -12.3 -26.1 +8IRA B 42 ALA H . 3 < . . S + . . . . ? 0.613 120.5 30.1 -70.4 -14.9 -7.2 -9.8 -26.0 +8IRA B 43 THR H . < < . . S + . . . . ? 0.492 91.3 110.9 -121.2 -11.0 -6.2 -10.8 -29.6 +8IRA B 44 PHE . . . < . . . - . . . . ? -0.517 53.3 -151.2 -72.5 131.4 -9.5 -11.7 -31.3 +8IRA B 45 ASP . . . . . . . - . . . . ? -0.900 14.4 -179.7 -97.0 112.0 -10.8 -9.4 -34.0 +8IRA B 46 PRO . . . . . . . + . . . . ? 0.399 56.0 97.9 -87.8 6.2 -14.6 -9.8 -34.0 +8IRA B 47 SER S . . . . . S + . . . . ? 0.478 85.2 34.5 -80.7 -6.1 -15.2 -7.3 -36.8 +8IRA B 48 ASP . . . > . . . + . . . . ? -0.610 50.4 169.7 -150.7 87.9 -15.5 -9.7 -39.7 +8IRA B 49 PRO T . . 4 . . S + . . . . ? 0.673 80.5 57.6 -64.8 -18.1 -17.2 -13.2 -39.2 +8IRA B 50 VAL T . . 4 . . S + . . . . ? 0.962 124.4 8.8 -82.4 -57.1 -17.2 -13.8 -43.0 +8IRA B 51 LEU T . . 4 . . S + . . . . ? 0.455 135.4 42.1 -109.2 -4.0 -13.6 -13.5 -44.2 +8IRA B 52 ASN S . . < . . S + . . . . ? -0.349 75.8 162.7 -135.4 57.6 -11.8 -13.4 -40.8 +8IRA B 53 PRO . . > > . . . - . . . . ? -0.240 56.3 -91.9 -73.5 169.2 -13.5 -15.9 -38.5 +8IRA B 54 MET G . > 4 > . S + . . . . ? 0.793 122.4 61.2 -49.8 -38.9 -12.0 -17.3 -35.3 +8IRA B 55 TRP G . 3 4 5 . S + . . . . ? 0.535 100.6 53.4 -73.5 -10.0 -10.4 -20.3 -37.0 +8IRA B 56 ARG G . < 4 5 . S + . . . . ? 0.547 105.9 57.2 -87.7 -16.0 -8.3 -18.0 -39.3 +8IRA B 57 GLN T . < < 5 . S - . . . . ? 0.199 116.6 -104.3 -106.5 11.3 -7.0 -16.2 -36.1 +8IRA B 58 GLY T . . . 5 . . + . . . . ? 0.754 60.9 164.0 72.7 26.8 -5.5 -19.2 -34.2 +8IRA B 59 MET . . . . < . . + . . . . ? -0.621 9.0 166.1 -84.1 132.1 -8.4 -19.4 -31.7 +8IRA B 60 PHE S . . . . . S + . . . . ? 0.797 72.7 28.7 -114.6 -46.0 -8.5 -22.6 -29.8 +8IRA B 61 VAL S . > > . . S + . . . . ? 0.726 105.0 74.5 -90.7 -28.7 -10.8 -22.4 -26.8 +8IRA B 62 LEU H . 3 > . . S + . . . . ? 0.895 94.9 52.2 -52.1 -46.5 -13.2 -19.8 -28.2 +8IRA B 63 PRO H . 3 > . . S + . . . . ? 0.812 106.7 54.2 -60.3 -30.8 -14.8 -22.4 -30.5 +8IRA B 64 PHE H . < > . . S + . . . . ? 0.836 110.1 45.5 -72.6 -34.4 -15.3 -24.7 -27.6 +8IRA B 65 MET H . > < > . S + . . . . ? 0.933 115.9 47.3 -69.1 -48.7 -17.2 -22.0 -25.7 +8IRA B 66 ALA H . > < 5 . S + . . . . ? 0.865 101.5 65.4 -58.5 -43.0 -19.2 -21.1 -28.8 +8IRA B 67 ARG H . 3 < 5 . S + . . . . ? 0.803 108.2 39.8 -50.6 -37.2 -20.0 -24.8 -29.5 +8IRA B 68 LEU T . < < 5 . S - . . . . ? 0.291 133.1 -75.9 -104.9 7.3 -22.1 -25.0 -26.3 +8IRA B 69 GLY T . < . 5 . S + . . . . ? 0.343 88.8 121.9 125.5 -6.8 -23.8 -21.6 -26.4 +8IRA B 70 VAL . . . . < . . + . . . . ? -0.778 23.5 141.4 -89.4 104.8 -21.4 -18.9 -25.4 +8IRA B 71 THR . . . . . . . + . . . . ? 0.350 44.7 76.8 -120.6 -0.0 -21.3 -16.5 -28.4 +8IRA B 72 GLY B . . . . . . - P AO AA . ? -0.841 55.8 -144.2 -129.1 155.1 -21.2 -13.0 -26.9 +8IRA B 73 SER . . > . . . . - . . . . ? -0.890 26.3 -126.3 -113.2 147.1 -18.9 -10.5 -25.3 +8IRA B 74 TRP T . 3 . . . S + . . . . ? 0.662 108.8 70.8 -56.5 -21.9 -19.7 -8.0 -22.5 +8IRA B 75 SER T . 3 . . . S - . . . . ? 0.439 122.3 -101.2 -82.7 -0.4 -18.4 -5.3 -24.9 +8IRA B 76 GLY S . < . . . S + . . . . ? 0.436 83.1 108.1 107.1 2.9 -21.4 -5.8 -27.1 +8IRA B 77 TRP B . . . . . . - Q AQ AB . ? -0.693 44.3 -158.4 -109.2 163.4 -20.4 -8.1 -30.0 +8IRA B 78 SER B . > . . . . - P AP AA . ? -0.928 31.2 -114.6 -136.0 159.5 -21.2 -11.7 -30.9 +8IRA B 79 ILE T . 3 . . . S + . . . . ? 0.608 112.6 63.9 -73.4 -12.6 -19.4 -14.2 -33.1 +8IRA B 80 THR T . 3 . . . S - . . . . ? 0.460 121.8 -102.2 -87.4 -4.3 -22.4 -14.3 -35.5 +8IRA B 81 GLY S . < . . . S + . . . . ? 0.334 75.3 136.7 104.4 -4.4 -21.8 -10.6 -36.4 +8IRA B 82 GLU . . . . . . . - . . . . ? -0.406 35.5 -156.7 -75.2 151.4 -24.6 -9.0 -34.3 +8IRA B 83 THR B . . . . . . + Q AR AB . ? -0.911 66.1 32.3 -124.2 156.9 -23.9 -5.8 -32.2 +8IRA B 84 GLY S . . . . . S + . . . . ? 0.720 79.6 143.8 71.1 26.2 -25.6 -4.3 -29.2 +8IRA B 85 ILE . . . . . . . - . . . . ? -0.557 45.7 -140.6 -85.7 158.1 -26.5 -7.7 -27.7 +8IRA B 86 ASP . . . . . . . - . . . . ? -0.950 16.5 -177.9 -117.6 108.2 -26.5 -8.4 -23.9 +8IRA B 87 PRO . . . . . . . - . . . . ? 0.503 32.9 -139.0 -78.8 -4.4 -25.1 -11.9 -23.2 +8IRA B 88 GLY . . . . . . . - . . . . ? -0.421 55.5 -35.7 71.2 -154.9 -25.7 -11.6 -19.5 +8IRA B 89 PHE S . . . . . S + . . . . ? 0.905 125.7 75.8 -67.1 -42.5 -23.0 -13.0 -17.1 +8IRA B 90 TRP . . . . . . . + . . . . ? -0.350 65.0 130.9 -81.9 62.4 -22.1 -15.9 -19.3 +8IRA B 91 SER S . . > . . S - . . . . ? -0.521 80.7 -90.7 -88.5 171.9 -20.1 -14.1 -21.9 +8IRA B 92 PHE H . . > . . S + . . . . ? 0.925 133.5 47.6 -47.2 -47.1 -16.6 -15.2 -23.1 +8IRA B 93 GLU H . . > . . S + . . . . ? 0.900 109.4 51.2 -63.1 -45.5 -15.3 -13.0 -20.3 +8IRA B 94 GLY H . . > . . S + . . . . ? 0.929 111.6 48.1 -59.7 -46.4 -17.7 -14.3 -17.7 +8IRA B 95 VAL H . . X . . S + . . . . ? 0.895 112.2 49.1 -57.3 -44.7 -16.7 -17.9 -18.5 +8IRA B 96 ALA H . . X . . S + . . . . ? 0.960 112.4 48.0 -63.0 -48.5 -13.0 -17.0 -18.3 +8IRA B 97 LEU H . . X . . S + . . . . ? 0.875 108.5 54.0 -57.8 -42.3 -13.5 -15.3 -14.9 +8IRA B 98 ALA H . . X . . S + . . . . ? 0.880 107.7 50.8 -63.4 -37.8 -15.4 -18.2 -13.6 +8IRA B 99 HIS H . . X . . S + . . . . ? 0.907 110.9 49.2 -65.2 -38.2 -12.6 -20.6 -14.5 +8IRA B 100 ILE H . . X . . S + . . . . ? 0.893 112.2 46.5 -67.9 -43.3 -10.1 -18.3 -12.7 +8IRA B 101 VAL H . . X . . S + . . . . ? 0.961 112.6 50.7 -66.0 -46.4 -12.1 -18.1 -9.6 +8IRA B 102 LEU H . . X . . S + . . . . ? 0.914 106.8 55.5 -54.6 -44.7 -12.7 -21.8 -9.6 +8IRA B 103 SER H . . X . . S + . . . . ? 0.931 108.5 47.9 -52.0 -49.1 -8.9 -22.3 -10.0 +8IRA B 104 GLY H . . X . . S + . . . . ? 0.893 110.8 49.4 -61.0 -46.2 -8.3 -20.3 -6.9 +8IRA B 105 LEU H . . X . . S + . . . . ? 0.896 110.7 50.5 -59.5 -45.2 -10.8 -22.1 -4.7 +8IRA B 106 LEU H . . X . . S + . . . . ? 0.869 107.5 54.8 -62.1 -37.0 -9.4 -25.5 -5.8 +8IRA B 107 PHE H . . X . . S + . . . . ? 0.928 108.3 47.9 -59.5 -47.5 -5.9 -24.2 -4.9 +8IRA B 108 LEU H . . X . . S + . . . . ? 0.884 110.9 51.2 -63.5 -37.0 -7.1 -23.4 -1.4 +8IRA B 109 ALA H . . X . . S + . . . . ? 0.855 105.0 57.2 -67.5 -37.3 -8.8 -26.8 -1.0 +8IRA B 110 ALA H . . X . . S + . . . . ? 0.910 105.5 51.5 -55.9 -43.8 -5.6 -28.4 -2.1 +8IRA B 111 CYS H . . X . . S + . . . . ? 0.919 109.5 48.3 -60.9 -48.2 -3.8 -26.7 0.8 +8IRA B 112 TRP H . . X . . S + . . . . ? 0.933 113.3 47.2 -59.2 -47.3 -6.3 -27.9 3.4 +8IRA B 113 HIS H . . < . . S + . . . . ? 0.789 110.4 53.5 -69.5 -26.8 -6.2 -31.5 2.1 +8IRA B 114 TRP H . > < . . S + . . . . ? 0.932 115.6 38.2 -69.4 -45.5 -2.4 -31.4 2.1 +8IRA B 115 VAL H . 3 < . . S + . . . . ? 0.932 119.9 45.0 -71.5 -48.0 -2.1 -30.3 5.7 +8IRA B 116 TYR T . 3 < . . S + . . . . ? -0.455 71.8 138.6 -98.2 60.7 -5.0 -32.4 7.1 +8IRA B 117 TRP . . < . . . . + . . . . ? 0.673 51.2 76.8 -74.6 -25.1 -4.1 -35.6 5.3 +8IRA B 118 ASP . . . . . . . + . . . . ? -0.422 61.9 159.3 -95.2 62.5 -4.7 -37.9 8.2 +8IRA B 119 LEU B . > . . . . - R AS AC . ? -0.662 46.7 -131.4 -84.5 138.2 -8.6 -38.1 8.1 +8IRA B 120 GLU G . > . . . S + . . . . ? 0.785 103.6 71.6 -55.7 -30.4 -10.3 -41.0 9.7 +8IRA B 121 LEU G . 3 . . . S + . . . . ? 0.815 92.6 56.1 -56.1 -33.6 -12.3 -41.5 6.6 +8IRA B 122 PHE G . < . . . S + . . . . ? 0.520 93.2 88.1 -80.6 -6.6 -9.2 -42.8 4.7 +8IRA B 123 ARG B . < . . . S - S AU AD . ? -0.746 84.0 -116.3 -91.7 141.1 -8.7 -45.5 7.3 +8IRA B 124 ASP . . . > . . . - . . . . ? -0.593 23.0 -137.4 -66.6 127.7 -10.2 -49.0 7.1 +8IRA B 125 PRO T . . 4 . . S + . . . . ? 0.752 99.2 43.7 -60.5 -27.1 -12.5 -49.3 10.2 +8IRA B 126 ARG T . . 4 . . S + . . . . ? 0.938 128.7 20.3 -83.1 -53.3 -11.3 -52.9 10.9 +8IRA B 127 THR T . . 4 . . S - . . . . ? 0.702 88.3 -132.7 -94.6 -25.6 -7.5 -52.7 10.4 +8IRA B 128 GLY . . . < . . . + . . . . ? 0.505 63.6 128.7 80.1 7.3 -6.8 -48.9 10.8 +8IRA B 129 GLU S . . . . . S - . . . . ? -0.609 73.2 -87.8 -90.5 152.1 -4.7 -48.9 7.7 +8IRA B 130 PRO B . . . . . . + S AV AD . ? -0.361 62.2 164.2 -58.0 137.4 -5.2 -46.4 4.8 +8IRA B 131 ALA . . . . . . . - . . . . ? -0.980 31.5 -161.8 -162.3 141.5 -7.7 -47.9 2.4 +8IRA B 132 LEU . . . . . . . - . . . . ? -0.998 21.5 -139.4 -128.9 122.6 -10.0 -46.9 -0.5 +8IRA B 133 ASP . . . > . . . - . . . . ? -0.629 27.0 -178.0 -80.2 83.6 -12.9 -49.2 -1.5 +8IRA B 134 LEU H . . > . . S + . . . . ? 0.821 72.4 58.6 -61.4 -38.4 -12.3 -48.7 -5.2 +8IRA B 135 PRO H . . > . . S + . . . . ? 0.926 113.6 38.2 -55.0 -45.3 -15.3 -50.9 -6.3 +8IRA B 136 LYS H . . > . . S + . . . . ? 0.870 112.0 57.4 -73.7 -38.2 -17.8 -48.7 -4.5 +8IRA B 137 MET H . . X . . S + . . . . ? 0.899 106.1 51.7 -56.2 -42.7 -16.0 -45.5 -5.3 +8IRA B 138 PHE H . . X . . S + . . . . ? 0.907 108.3 51.0 -60.5 -44.5 -16.4 -46.4 -9.0 +8IRA B 139 GLY H . . X . . S + . . . . ? 0.957 111.8 46.9 -56.7 -51.3 -20.1 -46.9 -8.5 +8IRA B 140 ILE H . . X . . S + . . . . ? 0.935 116.0 44.1 -54.9 -53.8 -20.5 -43.6 -6.8 +8IRA B 141 HIS H . . X . . S + . . . . ? 0.871 113.0 50.9 -63.2 -42.2 -18.5 -41.7 -9.4 +8IRA B 142 LEU H . . X . . S + . . . . ? 0.891 108.5 52.6 -61.0 -41.1 -20.2 -43.5 -12.3 +8IRA B 143 PHE H . . X . . S + . . . . ? 0.911 111.0 47.2 -60.9 -43.5 -23.7 -42.7 -10.8 +8IRA B 144 LEU H . . X . . S + . . . . ? 0.879 110.6 51.1 -64.3 -42.6 -22.6 -39.0 -10.7 +8IRA B 145 ALA H . . X . . S + . . . . ? 0.884 109.8 52.0 -61.9 -42.5 -21.3 -39.1 -14.3 +8IRA B 146 GLY H . . X . . S + . . . . ? 0.966 109.9 47.1 -52.0 -58.5 -24.6 -40.6 -15.3 +8IRA B 147 LEU H . . X . . S + . . . . ? 0.898 116.4 44.7 -52.7 -46.1 -26.7 -37.9 -13.6 +8IRA B 148 LEU H . . X . . S + . . . . ? 0.923 113.6 49.4 -68.0 -45.9 -24.5 -35.2 -15.2 +8IRA B 149 CYS H . . X . . S + . . . . ? 0.947 113.7 46.4 -56.0 -52.9 -24.5 -36.8 -18.6 +8IRA B 150 PHE H . . X . . S + . . . . ? 0.924 113.7 48.7 -53.1 -50.3 -28.3 -37.2 -18.5 +8IRA B 151 GLY H . . X > . S + . . . . ? 0.823 108.6 52.5 -65.1 -37.6 -28.8 -33.6 -17.4 +8IRA B 152 PHE I . . < > . S + . . . . ? 0.935 117.6 39.2 -60.4 -51.1 -26.4 -32.2 -20.0 +8IRA B 153 GLY I . . < > . S + . . . . ? 0.936 120.3 42.8 -61.4 -49.6 -28.4 -34.0 -22.7 +8IRA B 154 ALA I . . < 5 . S + . . . . ? 0.795 131.5 15.7 -78.1 -27.7 -31.9 -33.5 -21.3 +8IRA B 155 PHE I . . X 5 . S + . . . . ? 0.805 126.8 40.5 -114.7 -48.5 -31.6 -29.8 -20.3 +8IRA B 156 HIS I . . 4 < . S + . . . . ? 0.975 121.9 35.8 -71.1 -56.0 -28.6 -28.1 -21.8 +8IRA B 157 LEU I . . 4 < . S + . . . . ? 0.842 118.3 49.6 -73.9 -35.3 -28.7 -29.5 -25.4 +8IRA B 158 THR T . . 4 < . S - . . . . ? 0.709 104.0 -128.7 -69.6 -23.2 -32.5 -29.7 -25.8 +8IRA B 159 GLY S . > < . . S + . . . . ? 0.385 74.0 125.6 80.2 -2.3 -32.8 -26.1 -24.6 +8IRA B 160 LEU T . 3 . . . S - . . . . ? 0.881 100.2 -3.5 -46.8 -45.0 -35.4 -27.1 -22.0 +8IRA B 161 PHE T . 3 . . . S + . . . . ? -0.568 134.5 37.2 -153.8 83.3 -33.1 -25.4 -19.5 +8IRA B 162 GLY S . < . . . S - . . . . ? -0.820 91.6 -83.0 148.6 173.2 -30.0 -24.2 -21.3 +8IRA B 163 PRO . . . . . . . - . . . . ? 0.564 54.1 -133.2 -87.8 -11.9 -29.0 -22.7 -24.7 +8IRA B 164 GLY . . . . . . . - . . . . ? -0.704 34.0 -75.8 90.9 -148.5 -28.6 -25.7 -26.9 +8IRA B 165 MET E . . . . . . - T AW AE . ? -0.951 47.9 -73.8 -148.1 167.4 -25.6 -26.2 -29.2 +8IRA B 166 TRP E . . . . . . + T AW AE . ? -0.365 53.1 166.1 -63.8 133.7 -24.0 -24.9 -32.4 +8IRA B 167 VAL E . . . . . . + T AW AE . ? -0.943 6.6 176.8 -144.7 163.8 -25.7 -26.2 -35.6 +8IRA B 168 SER . . . . . . . - . . . . ? -0.987 35.2 -85.1 -161.2 163.4 -25.5 -25.1 -39.2 +8IRA B 169 ASP . . > . . . . - . . . . ? -0.292 59.8 -93.1 -66.0 165.0 -26.5 -25.7 -42.8 +8IRA B 170 PRO T . 3 . . . S + . . . . ? 0.495 124.6 48.7 -64.1 -4.7 -24.4 -28.3 -44.8 +8IRA B 171 TYR T . 3 . . . S - . . . . ? 0.190 110.0 -114.6 -122.0 14.4 -22.1 -25.6 -46.1 +8IRA B 172 GLY S . < . . . S + . . . . ? 0.859 78.7 121.2 58.4 42.0 -21.3 -23.7 -42.9 +8IRA B 173 LEU S . . . . . S + . . . . ? 0.776 73.8 28.7 -101.7 -34.4 -23.1 -20.5 -44.0 +8IRA B 174 THR S . . . . . S + . . . . ? -0.169 77.5 162.3 -128.3 37.7 -25.8 -19.8 -41.4 +8IRA B 175 GLY . . . . . . . + . . . . ? -0.183 5.6 146.4 -64.4 150.5 -24.5 -21.4 -38.1 +8IRA B 176 SER E . . . . . . - T AX AE . ? -0.961 53.1 -83.9 -165.6 169.5 -26.0 -20.4 -34.7 +8IRA B 177 VAL E . . . . . . + T AX AE . ? -0.808 56.2 165.3 -84.2 125.0 -26.8 -21.9 -31.3 +8IRA B 178 GLN E . . . . . . - T AX AE . ? -0.982 43.1 -100.3 -134.7 151.8 -30.1 -23.6 -31.3 +8IRA B 179 PRO . . . . . . . - . . . . ? -0.422 40.9 -151.5 -63.2 146.0 -32.1 -26.1 -29.1 +8IRA B 180 VAL . . . . . . . - . . . . ? -0.996 3.1 -143.5 -132.4 124.6 -31.8 -29.6 -30.6 +8IRA B 181 ALA . . . . . . . - . . . . ? -0.622 33.4 -99.8 -84.5 145.8 -34.3 -32.4 -30.2 +8IRA B 182 PRO . . . . . . . - . . . . ? -0.302 23.8 -137.9 -63.9 147.9 -33.1 -36.0 -29.7 +8IRA B 183 GLU . . . . . . . + . . . . ? -0.940 21.7 178.3 -105.3 113.4 -33.1 -38.3 -32.7 +8IRA B 184 TRP . . . . . . . + . . . . ? 0.531 55.3 83.6 -94.3 -6.7 -34.3 -41.7 -31.5 +8IRA B 185 GLY S . > . . . S - . . . . ? -0.124 101.7 -83.6 -86.9 -174.9 -34.1 -43.4 -34.9 +8IRA B 186 PRO G . > . . . S + . . . . ? 0.699 123.1 67.2 -67.2 -19.5 -31.2 -45.1 -36.7 +8IRA B 187 ASP G . > . . . S + . . . . ? 0.596 79.4 82.3 -76.3 -10.8 -29.9 -41.7 -38.0 +8IRA B 188 GLY G . < . . . S + . . . . ? 0.712 88.0 55.2 -59.0 -22.1 -29.2 -40.9 -34.4 +8IRA B 189 PHE G . < . . . S + . . . . ? 0.307 80.6 111.3 -95.8 7.1 -26.0 -42.8 -35.0 +8IRA B 190 ASN . . X . . . . - . . . . ? -0.721 67.9 -143.0 -77.4 121.1 -25.1 -40.6 -38.0 +8IRA B 191 PRO T . 3 . . . S + . . . . ? 0.782 100.5 51.9 -59.8 -25.7 -22.1 -38.6 -36.9 +8IRA B 192 TYR T . 3 . . . S + . . . . ? 0.376 86.1 94.5 -92.1 1.4 -23.5 -35.5 -38.7 +8IRA B 193 ASN . . X > . . . - . . . . ? -0.843 57.8 -164.2 -92.8 110.7 -26.9 -35.7 -37.1 +8IRA B 194 PRO H . > > . . S + . . . . ? 0.855 86.9 65.4 -61.4 -34.9 -26.9 -33.3 -34.1 +8IRA B 195 GLY H . 3 > . . S + . . . . ? 0.804 93.6 61.7 -56.1 -32.5 -30.0 -34.8 -32.7 +8IRA B 196 GLY H . < > . . S + . . . . ? 0.815 98.7 56.0 -59.0 -33.5 -28.0 -38.0 -32.2 +8IRA B 197 VAL H . < X . . S + . . . . ? 0.894 108.8 46.2 -67.9 -40.6 -25.7 -36.1 -29.8 +8IRA B 198 VAL H . . X . . S + . . . . ? 0.949 113.7 48.3 -64.1 -48.6 -28.7 -35.2 -27.7 +8IRA B 199 ALA H . . X . . S + . . . . ? 0.880 107.4 57.7 -60.2 -40.7 -30.1 -38.7 -27.7 +8IRA B 200 HIS H . . X . . S + . . . . ? 0.907 108.1 44.1 -54.8 -52.2 -26.6 -40.1 -26.8 +8IRA B 201 HIS H . . X . . S + . . . . ? 0.897 114.4 48.9 -66.9 -41.4 -26.3 -38.1 -23.6 +8IRA B 202 ILE H . . X . . S + . . . . ? 0.975 120.3 36.3 -58.2 -56.5 -29.9 -38.8 -22.5 +8IRA B 203 ALA H . . X . . S + . . . . ? 0.902 118.7 47.5 -67.9 -46.1 -29.6 -42.6 -23.1 +8IRA B 204 ALA H . . X . . S + . . . . ? 0.855 110.5 55.6 -64.4 -35.5 -26.0 -43.1 -22.0 +8IRA B 205 GLY H . . X . . S + . . . . ? 0.914 106.8 48.1 -59.5 -46.8 -26.8 -41.1 -18.9 +8IRA B 206 ILE H . . X . . S + . . . . ? 0.916 111.9 49.5 -61.7 -43.6 -29.6 -43.4 -17.9 +8IRA B 207 VAL H . . X . . S + . . . . ? 0.879 109.0 54.5 -62.5 -35.8 -27.4 -46.4 -18.5 +8IRA B 208 GLY H . . X . . S + . . . . ? 0.872 107.1 49.4 -64.3 -39.4 -24.8 -44.6 -16.3 +8IRA B 209 ILE H . . X . . S + . . . . ? 0.963 114.8 44.4 -61.2 -50.5 -27.3 -44.2 -13.5 +8IRA B 210 ILE H . . X . . S + . . . . ? 0.953 116.0 45.0 -64.8 -52.8 -28.3 -47.9 -13.6 +8IRA B 211 ALA H . . X . . S + . . . . ? 0.907 112.4 55.0 -54.0 -45.2 -24.7 -49.2 -14.0 +8IRA B 212 GLY H . . X . . S + . . . . ? 0.962 109.0 45.3 -47.9 -61.4 -23.7 -46.8 -11.2 +8IRA B 213 LEU H . > X . . S + . . . . ? 0.882 112.0 53.2 -52.7 -45.0 -26.4 -48.2 -8.8 +8IRA B 214 PHE H . 3 X . . S + . . . . ? 0.924 109.3 48.5 -57.2 -46.8 -25.3 -51.7 -9.8 +8IRA B 215 HIS H . 3 < . . S + . . . . ? 0.606 110.8 51.2 -72.3 -15.2 -21.7 -50.9 -8.9 +8IRA B 216 ILE H . < < . . S + . . . . ? 0.860 119.7 33.8 -81.1 -38.8 -22.6 -49.4 -5.6 +8IRA B 217 LEU H . . < . . S + . . . . ? 0.638 108.4 66.2 -94.9 -22.5 -24.7 -52.4 -4.5 +8IRA B 218 VAL S . . < . . S - . . . . ? -0.927 72.2 -141.3 -112.7 117.9 -22.9 -55.4 -6.0 +8IRA B 219 ARG P . . . . > . - . . . . ? -0.391 33.7 -95.5 -69.1 148.1 -19.5 -56.4 -4.8 +8IRA B 220 PRO P . . . . P . - . . . . ? -0.308 44.2 -99.8 -60.8 144.1 -16.9 -57.7 -7.5 +8IRA B 221 PRO B . > > . < . - U AY AF . ? -0.395 29.6 -120.4 -61.5 142.6 -16.6 -61.4 -8.0 +8IRA B 222 GLN H . 3 > . . S + . . . . ? 0.886 112.6 55.3 -49.3 -43.6 -13.6 -62.9 -6.2 +8IRA B 223 ARG H . 3 > . . S + . . . . ? 0.841 112.4 40.8 -65.5 -36.3 -12.1 -64.1 -9.5 +8IRA B 224 LEU H . < > . . S + . . . . ? 0.856 111.9 56.4 -77.0 -38.7 -12.2 -60.7 -11.1 +8IRA B 225 TYR H . . X > . S + . . . . ? 0.920 114.6 39.5 -55.9 -46.5 -11.0 -58.9 -7.9 +8IRA B 226 LYS H . . < 5 . S + . . . . ? 0.925 115.7 49.7 -69.7 -47.4 -7.9 -61.2 -7.8 +8IRA B 227 ALA H . . < 5 . S + . . . . ? 0.824 120.3 35.4 -65.8 -35.0 -7.3 -61.1 -11.6 +8IRA B 228 LEU H . . < 5 . S - . . . . ? 0.466 104.8 -125.0 -99.5 -1.5 -7.5 -57.3 -11.9 +8IRA B 229 ARG T . > < 5 . . + . . . . ? 0.956 37.0 177.9 60.8 55.1 -5.9 -56.5 -8.5 +8IRA B 230 MET T . 3 . < . S + . . . . ? 0.522 73.7 66.8 -74.0 -5.5 -8.9 -54.4 -7.4 +8IRA B 231 GLY T . 3 . . . S + . . . . ? 0.603 91.1 76.0 -80.2 -13.6 -7.1 -53.9 -4.1 +8IRA B 232 ASN S . X > . . S - . . . . ? -0.886 70.5 -150.6 -112.2 113.9 -4.4 -51.9 -5.9 +8IRA B 233 ILE H . 3 > . . S + . . . . ? 0.711 93.2 70.5 -54.5 -23.9 -5.1 -48.3 -7.0 +8IRA B 234 GLU H . 3 > . . S + . . . . ? 0.770 87.0 64.5 -70.7 -22.7 -2.6 -48.7 -9.9 +8IRA B 235 THR H . < > . . S + . . . . ? 0.939 102.4 50.4 -60.9 -39.2 -5.1 -51.1 -11.6 +8IRA B 236 VAL H . . X . . S + . . . . ? 0.900 107.8 52.2 -66.0 -40.8 -7.4 -48.1 -11.8 +8IRA B 237 LEU H . . X . . S + . . . . ? 0.946 109.7 49.6 -58.2 -48.0 -4.7 -46.0 -13.3 +8IRA B 238 SER H . . X . . S + . . . . ? 0.953 116.3 40.0 -56.8 -56.4 -4.0 -48.6 -16.0 +8IRA B 239 SER H . . X . . S + . . . . ? 0.885 115.0 53.0 -60.3 -40.0 -7.6 -49.0 -17.0 +8IRA B 240 SER H . . X . . S + . . . . ? 0.916 108.0 49.8 -65.4 -44.6 -8.3 -45.2 -16.8 +8IRA B 241 ILE H . . X . . S + . . . . ? 0.898 109.5 53.3 -57.2 -43.9 -5.4 -44.4 -19.0 +8IRA B 242 ALA H . . X . . S + . . . . ? 0.890 109.6 46.8 -58.4 -42.9 -6.7 -46.9 -21.5 +8IRA B 243 ALA H . . X . . S + . . . . ? 0.895 110.7 54.7 -66.1 -39.1 -10.1 -45.3 -21.6 +8IRA B 244 VAL H . . X . . S + . . . . ? 0.864 108.8 44.9 -64.6 -37.2 -8.5 -41.9 -22.0 +8IRA B 245 PHE H . . X . . S + . . . . ? 0.843 109.7 56.6 -82.2 -30.2 -6.5 -42.8 -25.1 +8IRA B 246 PHE H . . X . . S + . . . . ? 0.975 112.0 42.6 -53.5 -53.0 -9.5 -44.6 -26.6 +8IRA B 247 ALA H . . X . . S + . . . . ? 0.922 110.5 56.8 -61.1 -44.3 -11.4 -41.3 -26.2 +8IRA B 248 ALA H . . X . . S + . . . . ? 0.913 107.4 48.1 -55.9 -45.7 -8.4 -39.3 -27.4 +8IRA B 249 PHE H . . X . . S + . . . . ? 0.934 110.8 51.4 -60.4 -45.5 -8.3 -41.2 -30.7 +8IRA B 250 VAL H . . X . . S + . . . . ? 0.927 111.5 45.3 -58.2 -49.2 -12.1 -40.8 -31.2 +8IRA B 251 VAL H . . X . . S + . . . . ? 0.828 112.3 52.8 -68.0 -29.1 -12.0 -37.0 -30.8 +8IRA B 252 ALA H . . X . . S + . . . . ? 0.918 112.0 46.5 -67.9 -43.5 -8.9 -36.8 -33.0 +8IRA B 253 GLY H . . X . . S + . . . . ? 0.909 112.6 46.9 -60.7 -44.0 -10.8 -38.8 -35.7 +8IRA B 254 THR H . . X . . S + . . . . ? 0.871 109.9 55.0 -71.8 -32.5 -14.1 -36.8 -35.5 +8IRA B 255 MET H . . < . . S + . . . . ? 0.888 114.3 41.1 -63.5 -36.3 -12.1 -33.5 -35.6 +8IRA B 256 TRP H . . < . . S + . . . . ? 0.925 124.3 32.5 -82.1 -46.9 -10.4 -34.7 -38.8 +8IRA B 257 TYR H . . < . . S - . . . . ? 0.772 113.0 -122.8 -79.2 -23.6 -13.3 -36.3 -40.8 +8IRA B 258 GLY . . . < . . . - . . . . ? 0.134 33.5 -174.0 93.6 147.5 -15.8 -33.9 -39.3 +8IRA B 259 SER . . > . . . . - . . . . ? -0.923 48.1 -83.7 -157.4 176.9 -19.0 -34.4 -37.3 +8IRA B 260 ALA T . 3 . . . S + . . . . ? 0.737 128.3 54.9 -59.3 -25.6 -21.9 -32.5 -35.8 +8IRA B 261 THR T . 3 . . . S + . . . . ? 0.497 105.9 51.9 -88.8 0.4 -19.7 -31.7 -32.8 +8IRA B 262 THR S . < . . . S - . . . . ? -0.462 79.0 -174.7 -129.0 63.0 -16.9 -30.2 -35.0 +8IRA B 263 PRO . . > > . . . - . . . . ? -0.214 29.4 -127.1 -67.8 151.6 -18.6 -27.6 -37.2 +8IRA B 264 ILE H . 3 > . . S + . . . . ? 0.698 104.7 62.1 -74.8 -23.2 -16.6 -25.8 -39.9 +8IRA B 265 GLU H . 3 4 . . S + . . . . ? 0.675 113.5 37.3 -73.8 -19.2 -17.5 -22.3 -38.8 +8IRA B 266 LEU H . < 4 . . S + . . . . ? 0.759 136.2 16.2 -100.1 -36.1 -15.8 -22.9 -35.5 +8IRA B 267 PHE H . . < . . S - . . . . ? 0.503 107.1 -114.1 -115.9 -9.6 -12.8 -25.1 -36.5 +8IRA B 268 GLY . . . < . . . - . . . . ? -0.234 48.6 -40.9 98.5 172.3 -12.6 -24.5 -40.3 +8IRA B 269 PRO . . . . . . . - . . . . ? -0.182 57.3 -115.5 -65.2 162.4 -13.1 -26.8 -43.3 +8IRA B 270 THR . . > > . . . - . . . . ? -0.617 20.6 -118.6 -92.4 163.2 -11.9 -30.4 -43.5 +8IRA B 271 ARG H . > > . . S + . . . . ? 0.863 112.6 63.8 -67.3 -32.5 -9.3 -31.5 -45.9 +8IRA B 272 TYR H . 3 > . . S + . . . . ? 0.806 92.4 63.1 -67.7 -23.5 -11.8 -33.9 -47.4 +8IRA B 273 GLN H . < 4 > . S + . . . . ? 0.828 108.5 41.8 -69.6 -29.8 -14.0 -31.0 -48.5 +8IRA B 274 TRP H . X < 5 . S + . . . . ? 0.915 110.5 56.7 -75.5 -47.0 -11.1 -29.8 -50.8 +8IRA B 275 ASP H . 3 < 5 . S + . . . . ? 0.847 117.7 33.5 -53.2 -42.1 -10.4 -33.4 -52.0 +8IRA B 276 SER T . 3 < 5 . S - . . . . ? 0.386 106.4 -121.7 -97.2 3.7 -14.0 -33.9 -53.2 +8IRA B 277 SER T . < > 5 . . + . . . . ? 0.885 50.2 165.2 56.0 40.7 -14.6 -30.2 -54.3 +8IRA B 278 TYR H . . > < . S + . . . . ? 0.935 73.6 37.1 -51.5 -54.9 -17.5 -30.1 -51.9 +8IRA B 279 PHE H . . > . . S + . . . . ? 0.898 112.6 57.7 -70.3 -41.0 -17.8 -26.3 -52.0 +8IRA B 280 GLN H . . > . . S + . . . . ? 0.875 105.4 52.0 -54.3 -43.1 -17.0 -26.0 -55.7 +8IRA B 281 GLN H . . X . . S + . . . . ? 0.887 109.7 47.7 -62.6 -42.2 -19.9 -28.3 -56.6 +8IRA B 282 GLU H . . X . . S + . . . . ? 0.884 111.0 52.1 -65.8 -41.3 -22.4 -26.2 -54.5 +8IRA B 283 ILE H . . X . . S + . . . . ? 0.924 112.4 45.0 -56.7 -48.3 -21.0 -23.0 -56.1 +8IRA B 284 ASN H . . X . . S + . . . . ? 0.880 110.0 55.3 -66.6 -40.8 -21.5 -24.5 -59.6 +8IRA B 285 ARG H . . X . . S + . . . . ? 0.931 110.8 45.7 -53.4 -48.8 -25.0 -25.8 -58.7 +8IRA B 286 ARG H . . X . . S + . . . . ? 0.932 111.4 50.2 -63.5 -48.1 -26.0 -22.2 -57.6 +8IRA B 287 VAL H . . X . . S + . . . . ? 0.875 110.6 50.9 -57.5 -42.4 -24.5 -20.6 -60.7 +8IRA B 288 GLN H . . X . . S + . . . . ? 0.903 107.3 53.2 -58.4 -48.0 -26.4 -23.1 -63.0 +8IRA B 289 ALA H . . X . . S + . . . . ? 0.866 112.6 45.5 -56.6 -39.8 -29.7 -22.4 -61.2 +8IRA B 290 SER H . > < > . S + . . . . ? 0.944 113.5 47.4 -68.5 -49.7 -29.1 -18.7 -61.9 +8IRA B 291 LEU H . > < 5 . S + . . . . ? 0.925 109.2 55.1 -56.5 -47.9 -28.1 -19.1 -65.5 +8IRA B 292 ALA H . 3 < 5 . S + . . . . ? 0.756 105.1 53.7 -58.0 -30.1 -31.1 -21.4 -66.1 +8IRA B 293 SER T . < < 5 . S - . . . . ? 0.064 127.8 -97.1 -95.4 21.4 -33.5 -18.7 -64.8 +8IRA B 294 GLY T . < . 5 . S + . . . . ? 0.290 73.5 144.7 93.2 -8.0 -32.1 -16.2 -67.3 +8IRA B 295 ALA . . . . < . . - . . . . ? -0.255 50.7 -110.5 -64.4 151.8 -29.5 -14.3 -65.1 +8IRA B 296 THR . . . > . . . - . . . . ? -0.282 29.6 -104.1 -74.8 168.9 -26.3 -13.1 -66.8 +8IRA B 297 LEU H . . > . . S + . . . . ? 0.883 124.2 50.8 -62.6 -35.4 -22.9 -14.6 -66.0 +8IRA B 298 GLU H . . > . . S + . . . . ? 0.884 111.5 46.3 -68.9 -41.8 -22.1 -11.5 -63.9 +8IRA B 299 GLU H . . > . . S + . . . . ? 0.922 111.0 52.8 -66.8 -44.9 -25.4 -11.8 -62.0 +8IRA B 300 ALA H . . < . . S + . . . . ? 0.910 115.7 38.3 -58.8 -49.3 -25.0 -15.5 -61.3 +8IRA B 301 TRP H . > < . . S + . . . . ? 0.817 111.2 59.5 -72.9 -33.3 -21.5 -15.2 -59.9 +8IRA B 302 SER H . 3 < . . S + . . . . ? 0.758 98.9 59.8 -65.4 -24.1 -22.3 -12.0 -58.0 +8IRA B 303 ALA T . 3 < . . S + . . . . ? 0.601 79.7 104.6 -78.7 -12.0 -25.0 -13.8 -56.1 +8IRA B 304 ILE S . < . . . S - . . . . ? -0.555 79.1 -122.1 -69.3 124.7 -22.4 -16.2 -54.7 +8IRA B 305 PRO . . . > . . . - . . . . ? -0.433 11.7 -128.8 -65.5 145.0 -21.8 -15.3 -51.0 +8IRA B 306 GLU H . . > . . S + . . . . ? 0.765 106.9 61.1 -64.8 -26.4 -18.2 -14.4 -50.2 +8IRA B 307 LYS H . . > . . S + . . . . ? 0.908 105.4 46.2 -69.8 -40.6 -18.3 -16.9 -47.3 +8IRA B 308 LEU H . . > . . S + . . . . ? 0.891 112.0 50.5 -67.0 -41.8 -19.0 -19.8 -49.6 +8IRA B 309 ALA H . > < . . S + . . . . ? 0.872 104.7 59.2 -63.4 -36.4 -16.3 -18.8 -52.0 +8IRA B 310 PHE H . 3 < . . S + . . . . ? 0.784 100.0 55.3 -66.8 -31.9 -13.8 -18.5 -49.2 +8IRA B 311 TYR H . 3 < . . S + . . . . ? 0.701 95.2 69.5 -67.8 -25.7 -14.3 -22.2 -48.3 +8IRA B 312 ASP S . < < . . S + . . . . ? -0.223 83.0 97.8 -86.5 47.4 -13.4 -23.1 -51.9 +8IRA B 313 TYR B . > . . . S - V BA AG . ? -0.989 71.1 -140.1 -144.1 126.6 -9.8 -22.1 -51.3 +8IRA B 314 ILE G . > . . . S + . . . . ? 0.699 96.0 74.8 -66.2 -18.6 -6.9 -24.4 -50.4 +8IRA B 315 GLY G . 3 . . . S + . . . . ? 0.593 97.2 49.2 -67.5 -13.6 -5.5 -21.9 -47.9 +8IRA B 316 ASN G . < . . . S + . . . . ? 0.304 84.9 109.2 -102.3 3.8 -8.3 -22.9 -45.5 +8IRA B 317 ASN . . X . . . . - . . . . ? -0.722 66.7 -145.1 -80.1 121.7 -7.5 -26.6 -46.1 +8IRA B 318 PRO T . 3 . . . S + . . . . ? 0.455 91.9 69.7 -71.3 -1.4 -6.0 -27.9 -42.8 +8IRA B 319 ALA T . 3 . . . S + . . . . ? 0.014 83.0 73.8 -101.5 21.4 -3.7 -30.2 -44.7 +8IRA B 320 LYS S . < . . . S + . . . . ? 0.226 78.6 91.4 -116.7 8.4 -1.6 -27.4 -46.1 +8IRA B 321 GLY . . . . . . . - . . . . ? -0.055 62.6 -129.5 -96.0 -164.8 0.4 -26.4 -43.0 +8IRA B 322 GLY B . > . . . . - W BC AH . ? -0.990 22.5 -115.0 -150.1 150.9 3.7 -27.3 -41.4 +8IRA B 323 LEU T . 3 . . . S + . . . . ? 0.782 114.9 32.6 -54.8 -37.4 4.8 -28.3 -38.0 +8IRA B 324 PHE T . 3 . . . S + . . . . ? 0.228 87.9 103.0 -109.8 10.3 7.0 -25.2 -37.3 +8IRA B 325 ARG . . < . . . . - . . . . ? -0.839 68.1 -163.7 -88.5 102.4 5.0 -22.7 -39.3 +8IRA B 326 THR . . . . . . . + . . . . ? -0.236 28.6 21.9 -95.2 172.1 3.4 -21.2 -36.2 +8IRA B 327 GLY S . . . . . S - . . . . ? -0.143 94.0 -16.2 79.4 -165.9 0.5 -18.9 -35.2 +8IRA B 328 PRO . . > . . . . - . . . . ? -0.165 61.3 -111.9 -73.6 167.5 -2.8 -18.1 -37.0 +8IRA B 329 MET G . > > > . S + . . . . ? 0.794 114.4 69.5 -67.6 -29.7 -3.5 -18.7 -40.7 +8IRA B 330 ASN G . 3 4 5 . S + . . . . ? 0.709 87.0 66.8 -61.0 -23.2 -3.6 -14.9 -41.2 +8IRA B 331 LYS G . < 4 5 . S + . . . . ? 0.729 107.6 40.4 -71.6 -20.3 0.2 -15.0 -40.6 +8IRA B 332 GLY T . < 4 5 . S + . . . . ? 0.897 132.3 10.1 -90.4 -82.9 0.6 -17.0 -43.8 +8IRA B 333 ASP T . . < 5 . S - . . . . ? 0.636 110.0 -119.2 -75.8 -11.2 -1.6 -15.9 -46.7 +8IRA B 334 GLY . . . . < . . - . . . . ? -0.498 44.4 -39.6 102.8 -177.4 -2.7 -12.7 -44.8 +8IRA B 335 ILE E . . . . . . - X BE AI . ? -0.813 64.8 -123.6 -88.4 109.3 -6.0 -11.3 -43.6 +8IRA B 336 ALA E . . . . . . + X BE AI . ? -0.277 36.4 171.5 -55.5 134.0 -8.6 -12.0 -46.3 +8IRA B 337 GLN E . . . . . . - X BE . . ? 0.741 54.8 -10.1 -111.8 -45.3 -10.2 -8.7 -47.3 +8IRA B 338 ALA E . . . . . . - X BE AI . ? -0.994 61.4 -105.3 -161.1 147.2 -12.4 -9.5 -50.4 +8IRA B 339 TRP E . . . . . . - X BE AI . ? -0.692 24.8 -155.6 -72.4 128.7 -13.4 -12.0 -53.0 +8IRA B 340 LYS E . . . . . . - X BE . . ? 0.752 47.4 -105.8 -75.8 -23.4 -11.8 -10.9 -56.3 +8IRA B 341 GLY E . . . . . . - X BE AI . ? -0.454 45.6 -51.5 116.4 166.2 -14.4 -12.8 -58.3 +8IRA B 342 HIS E . . . . . . - Y BG AJ . ? -0.671 53.6 -137.8 -79.7 125.6 -14.5 -16.0 -60.2 +8IRA B 343 ALA E . . . . . . - Y BG AJ . ? -0.693 17.4 -169.1 -85.1 129.7 -11.7 -16.2 -62.8 +8IRA B 344 VAL E . . . . . . - Y BG AJ . ? -0.992 7.3 -156.0 -121.1 125.4 -12.7 -17.6 -66.3 +8IRA B 345 PHE E . . . . . . + Y BG AJ AK ? -0.841 13.9 177.4 -103.7 136.0 -9.9 -18.4 -68.7 +8IRA B 346 ARG E . . . . . . - Y BG AJ AK ? -0.950 18.6 -138.0 -131.7 153.7 -10.3 -18.5 -72.4 +8IRA B 347 ASN . . > . . . . - . . . . ? -0.398 43.6 -86.1 -96.1 -179.0 -7.9 -19.1 -75.3 +8IRA B 348 LYS T . 3 . . . S + . . . . ? 0.770 128.7 57.9 -63.5 -28.8 -7.8 -17.2 -78.7 +8IRA B 349 GLU T . 3 . . . S - . . . . ? 0.556 118.7 -112.6 -70.8 -12.0 -10.4 -19.6 -80.1 +8IRA B 350 GLY . . < . . . . + . . . . ? 0.389 66.1 150.0 89.4 -2.6 -12.8 -18.5 -77.3 +8IRA B 351 GLU . . . . . . . - . . . . ? -0.421 50.2 -118.5 -62.1 134.5 -12.7 -22.0 -75.7 +8IRA B 352 GLU E . . . . . . - Y BH AK . ? -0.575 32.6 -159.8 -73.7 137.6 -13.2 -21.9 -71.9 +8IRA B 353 LEU E . . . . . . - Y BH AK . ? -0.908 6.3 -146.7 -123.7 150.8 -10.2 -23.4 -70.0 +8IRA B 354 PHE E . . . . . . - Z BK AM . ? -0.969 13.4 -132.4 -124.3 128.0 -9.9 -24.7 -66.5 +8IRA B 355 VAL E . . . . > . - Z BK AM . ? -0.625 28.7 -119.3 -74.6 129.8 -6.8 -24.5 -64.2 +8IRA B 356 ARG P . . . . P . - . . . . ? -0.608 34.4 -125.8 -73.4 121.8 -6.0 -27.8 -62.6 +8IRA B 357 ARG P . . . . P . - . . . . ? -0.354 22.7 -101.4 -70.9 152.1 -6.3 -27.3 -58.9 +8IRA B 358 MET P . . . . P . - . . . . ? -0.558 30.2 -133.2 -73.4 123.8 -3.5 -28.1 -56.5 +8IRA B 359 PRO P . > . . < . - . . . . ? -0.497 24.3 -115.6 -69.4 148.4 -3.8 -31.4 -54.5 +8IRA B 360 ALA T . 3 . . . S + . . . . ? 0.683 110.4 68.9 -59.3 -21.9 -3.0 -31.1 -50.8 +8IRA B 361 PHE T . 3 . . . S + . . . . ? 0.791 86.7 82.6 -66.9 -26.6 0.0 -33.3 -51.1 +8IRA B 362 PHE . . < . . . . - . . . . ? -0.715 52.2 -170.2 -99.0 120.6 1.9 -30.7 -53.1 +8IRA B 363 GLU S . . . . . S + . . . . ? 0.842 90.2 16.0 -65.9 -33.3 3.9 -27.8 -51.7 +8IRA B 364 SER S . . . . . S - . . . . ? -0.959 72.6 -173.7 -139.1 157.6 4.2 -26.5 -55.3 +8IRA B 365 PHE . . . . . . . - . . . . ? -0.997 25.7 -111.2 -154.0 141.2 2.3 -27.4 -58.4 +8IRA B 366 PRO . . . . . . . - . . . . ? -0.323 33.5 -111.8 -71.9 165.0 2.6 -26.5 -62.1 +8IRA B 367 VAL . . . . . . . + . . . . ? -0.897 44.9 167.5 -101.8 109.2 -0.0 -24.4 -63.9 +8IRA B 368 ILE E . . . . . . - Z BL . AN ? -0.986 18.8 -160.1 -128.3 134.5 -2.0 -26.4 -66.4 +8IRA B 369 LEU E . . . . . . - Z BL AM AN ? -0.971 12.4 -176.3 -118.6 123.9 -5.2 -25.5 -68.2 +8IRA B 370 THR E . . . . . . - Z BL AM AN ? -0.738 26.0 -115.8 -110.2 160.8 -7.5 -28.1 -69.8 +8IRA B 371 ASP . . > . . . . - . . . . ? -0.302 52.7 -84.0 -77.3 178.4 -10.6 -27.8 -71.8 +8IRA B 372 LYS T . 3 . . . S + . . . . ? 0.813 132.7 56.9 -61.7 -28.7 -13.8 -29.3 -70.3 +8IRA B 373 ASN T . 3 . . . S - . . . . ? 0.344 120.0 -109.4 -77.7 2.4 -12.8 -32.7 -71.6 +8IRA B 374 GLY . . < . . . . + . . . . ? 0.640 68.9 145.7 78.0 14.6 -9.5 -32.5 -69.7 +8IRA B 375 VAL . . . . . . . - . . . . ? -0.732 56.4 -110.1 -83.1 134.4 -7.2 -32.1 -72.8 +8IRA B 376 VAL E . . . . . . + Z BM AN . ? -0.456 48.0 158.6 -68.6 129.2 -4.2 -29.8 -72.1 +8IRA B 377 LYS E . . . . . . + Z BM . . ? 0.562 61.5 11.0 -124.7 -24.3 -4.6 -26.5 -73.9 +8IRA B 378 ALA E . . . . . . + Z BM AN . ? -0.990 58.6 161.2 -157.0 152.3 -2.3 -24.1 -72.0 +8IRA B 379 ASP E . . . . . . - Z BM AN . ? -0.950 44.8 -101.4 -154.6 171.3 0.4 -24.1 -69.4 +8IRA B 380 ILE . . . . . . . - . . . . ? -0.938 50.3 -138.6 -97.3 110.8 3.3 -22.1 -67.8 +8IRA B 381 PRO . . . . . . . - . . . . ? -0.352 19.9 -162.3 -73.6 152.5 6.4 -23.7 -69.4 +8IRA B 382 PHE S . . . . . S + . . . . ? 0.870 90.3 38.4 -90.4 -67.6 9.6 -24.5 -67.5 +8IRA B 383 ARG S . . . . . S - . . . . ? -0.778 73.4 -169.1 -80.3 117.9 11.8 -25.0 -70.6 +8IRA B 384 ARG . . > . . . . + . . . . ? 0.740 68.0 81.8 -76.4 -26.7 10.7 -22.3 -73.1 +8IRA B 385 ALA T . 3 . . . S + . . . . ? 0.609 105.6 25.3 -69.6 -15.6 12.6 -23.6 -76.1 +8IRA B 386 GLU T . 3 . . . S + . . . . ? -0.012 87.6 146.8 -130.1 31.7 10.1 -26.3 -77.1 +8IRA B 387 SER . . < . . . . + . . . . ? -0.474 14.9 164.5 -66.5 129.1 7.0 -24.7 -75.6 +8IRA B 388 LYS S . . . . . S + . . . . ? 0.535 73.5 48.0 -113.4 -15.9 3.8 -25.4 -77.5 +8IRA B 389 TYR S . . . . . S + . . . . ? 0.155 71.3 140.4 -118.9 15.2 1.2 -24.4 -74.9 +8IRA B 390 SER . . . > . . . - . . . . ? -0.175 62.0 -119.6 -57.8 155.3 2.4 -21.0 -73.5 +8IRA B 391 PHE H . . > > . S + . . . . ? 0.820 116.4 57.1 -63.3 -32.3 -0.2 -18.4 -72.7 +8IRA B 392 GLU H . . 4 5 . S + . . . . ? 0.891 110.4 41.8 -65.3 -42.1 1.5 -16.2 -75.3 +8IRA B 393 GLN H . . 4 5 . S + . . . . ? 0.827 121.3 41.6 -71.2 -34.5 1.1 -18.8 -78.1 +8IRA B 394 GLN H . . < 5 . S - . . . . ? 0.360 102.8 -127.0 -99.4 -0.1 -2.5 -19.7 -77.1 +8IRA B 395 GLY T . . < 5 . . - . . . . ? 0.895 35.2 -167.6 55.8 49.8 -3.7 -16.1 -76.4 +8IRA B 396 VAL . . . . < . . + . . . . ? -0.546 8.9 179.3 -76.7 127.7 -5.0 -16.9 -72.9 +8IRA B 397 THR E . . . . . . - Y BI AJ . ? -0.809 15.6 -146.2 -117.0 162.8 -7.2 -14.2 -71.4 +8IRA B 398 VAL E . . . . . . - Y BI AJ AL ? -1.000 10.1 -170.8 -130.9 134.8 -8.9 -14.1 -68.0 +8IRA B 399 SER E . . . . . . - Y BI AJ AL ? -0.972 15.0 -140.3 -118.4 140.3 -12.3 -12.5 -67.2 +8IRA B 400 PHE E . . . . . . - Y BI AJ . ? -0.863 13.9 -172.3 -102.8 133.4 -13.7 -12.0 -63.7 +8IRA B 401 TYR E . . . . . . - Y BI AJ . ? -0.992 60.2 -0.1 -121.2 132.7 -17.4 -12.5 -62.7 +8IRA B 402 GLY S . . . . . S + . . . . ? -0.142 99.9 57.1 78.2 174.9 -18.6 -11.5 -59.3 +8IRA B 403 GLY S . > . . . S - . . . . ? 0.019 111.7 -40.1 61.2 -163.8 -16.4 -10.1 -56.5 +8IRA B 404 GLU T . 3 . . . S + . . . . ? 0.688 137.9 48.5 -78.5 -17.8 -14.3 -7.0 -56.8 +8IRA B 405 LEU T . > . . . S + . . . . ? 0.279 77.8 153.5 -101.6 12.0 -13.1 -7.5 -60.3 +8IRA B 406 ASN T . < . . . . + . . . . ? -0.090 68.7 12.5 -45.5 124.9 -16.6 -8.3 -61.7 +8IRA B 407 GLY T . 3 . . . S + . . . . ? 0.225 96.6 122.8 95.7 -13.1 -16.7 -7.4 -65.4 +8IRA B 408 GLN . . < . . . . - . . . . ? -0.612 41.0 -163.8 -89.8 142.4 -13.0 -6.9 -66.0 +8IRA B 409 THR E . . . . . . - Y BJ AL . ? -0.982 3.6 -158.2 -120.8 136.4 -11.0 -8.8 -68.6 +8IRA B 410 PHE E . . . . . . + Y BJ AL . ? -0.961 16.5 169.6 -116.0 133.3 -7.2 -9.0 -68.6 +8IRA B 411 THR . . . . . . . + . . . . ? 0.579 44.0 102.2 -117.0 -18.5 -5.3 -9.8 -71.8 +8IRA B 412 ASP S . > > . . S - . . . . ? -0.583 72.0 -130.8 -77.1 127.5 -1.6 -9.1 -71.1 +8IRA B 413 PRO H . 3 > . . S + . . . . ? 0.818 101.1 55.9 -52.2 -42.0 0.2 -12.4 -70.5 +8IRA B 414 PRO H . 3 > . . S + . . . . ? 0.949 112.8 42.5 -55.1 -47.0 2.1 -11.4 -67.2 +8IRA B 415 THR H . < > . . S + . . . . ? 0.918 114.4 50.3 -66.9 -42.8 -1.2 -10.5 -65.5 +8IRA B 416 VAL H . . X . . S + . . . . ? 0.922 110.7 49.6 -59.9 -46.2 -3.1 -13.5 -66.9 +8IRA B 417 LYS H . . X . . S + . . . . ? 0.850 106.6 58.2 -60.7 -36.2 -0.3 -15.8 -65.7 +8IRA B 418 SER H . . X . . S + . . . . ? 0.939 109.9 40.9 -57.0 -52.0 -0.5 -14.1 -62.3 +8IRA B 419 TYR H . . X . . S + . . . . ? 0.864 111.3 57.0 -68.9 -35.2 -4.2 -15.0 -61.8 +8IRA B 420 ALA H . . X . . S + . . . . ? 0.894 103.8 53.8 -64.7 -37.7 -3.7 -18.5 -63.2 +8IRA B 421 ARG H . . < . . S + . . . . ? 0.843 111.8 45.1 -60.8 -37.6 -1.1 -19.1 -60.5 +8IRA B 422 LYS H . > < . . S + . . . . ? 0.794 101.7 68.2 -72.3 -28.3 -3.6 -18.1 -57.9 +8IRA B 423 ALA H . > < . . S + . . . . ? 0.741 84.2 69.9 -68.4 -22.2 -6.3 -20.2 -59.5 +8IRA B 424 ILE T . 3 < . . S + . . . . ? 0.750 96.7 54.9 -65.1 -23.0 -4.6 -23.4 -58.6 +8IRA B 425 PHE T . < . . . S - . . . . ? 0.398 116.8 -119.1 -85.9 0.9 -5.6 -22.6 -55.0 +8IRA B 426 GLY B . < . . . S + V BB AG . ? -0.802 77.4 24.0 98.1 -140.4 -9.2 -22.3 -56.0 +8IRA B 427 GLU S . . . . . S - . . . . ? -0.388 82.3 -122.8 -68.8 145.4 -11.2 -19.0 -55.6 +8IRA B 428 ILE E . . . . . . - X BF AI . ? -0.737 30.1 -174.0 -102.1 133.7 -9.0 -15.9 -55.5 +8IRA B 429 PHE E . . . . . . - X BF AI . ? -0.868 28.0 -120.3 -126.9 151.7 -9.0 -13.4 -52.7 +8IRA B 430 GLU E . . . . . . - X BF AI . ? -0.815 38.7 -167.0 -85.5 131.7 -7.5 -10.0 -51.8 +8IRA B 431 PHE E . . . . . . - X BF AI . ? -0.967 25.2 -134.2 -125.3 139.6 -5.4 -10.3 -48.7 +8IRA B 432 ASP E . . . . . . + X BF AI . ? -0.859 30.6 167.5 -84.4 111.0 -3.8 -7.8 -46.3 +8IRA B 433 THR . . . . > . . + . . . . ? 0.499 65.1 65.1 -97.9 -7.3 -0.2 -9.1 -45.8 +8IRA B 434 GLU T . > . 5 . S + . . . . ? 0.934 85.7 64.1 -83.7 -49.9 1.1 -6.0 -44.1 +8IRA B 435 THR T . 3 . 5 . S + . . . . ? 0.850 121.2 21.6 -44.9 -52.0 -0.8 -5.8 -40.8 +8IRA B 436 LEU T . 3 . 5 . S - . . . . ? 0.248 107.4 -116.4 -99.9 10.4 0.7 -9.0 -39.4 +8IRA B 437 ASN T . < . 5 . . - . . . . ? 0.958 43.9 -158.3 47.4 59.5 3.7 -9.0 -41.7 +8IRA B 438 SER . . . . < . . - . . . . ? -0.374 15.2 -148.9 -73.2 147.4 2.5 -12.3 -43.3 +8IRA B 439 ASP . . . . . . . - . . . . ? 0.431 34.1 -115.3 -103.6 -2.8 5.1 -14.4 -45.0 +8IRA B 440 GLY S . . . . . S + . . . . ? 0.562 74.4 121.6 87.0 9.4 3.0 -16.0 -47.7 +8IRA B 441 ILE . . . . . . . - . . . . ? -0.918 65.1 -109.0 -116.8 132.6 3.3 -19.6 -46.5 +8IRA B 442 PHE . . . . . . . - . . . . ? -0.184 31.0 -166.6 -68.3 141.1 0.3 -21.7 -45.6 +8IRA B 443 ARG . . . . . . . - . . . . ? -0.847 22.1 -110.7 -118.5 158.6 -0.5 -22.6 -42.0 +8IRA B 444 THR . . . . . . . - . . . . ? -0.435 30.1 -120.8 -85.3 164.9 -2.9 -25.2 -40.6 +8IRA B 445 SER . . . > . . . - . . . . ? -0.366 36.6 -89.5 -93.0 175.7 -6.1 -24.4 -38.7 +8IRA B 446 PRO H . . > . . S + . . . . ? 0.840 128.5 61.4 -51.2 -32.5 -7.2 -25.3 -35.2 +8IRA B 447 ARG H . . > . . S + . . . . ? 0.929 106.8 45.5 -61.8 -44.8 -8.7 -28.4 -36.7 +8IRA B 448 GLY H . . > . . S + . . . . ? 0.970 116.9 42.7 -55.8 -58.5 -5.2 -29.4 -37.8 +8IRA B 449 TRP H . . X . . S + . . . . ? 0.875 112.3 52.7 -62.2 -44.8 -3.6 -28.6 -34.5 +8IRA B 450 PHE H . . X . . S + . . . . ? 0.919 112.4 46.1 -55.0 -48.2 -6.3 -30.2 -32.3 +8IRA B 451 THR H . . X . . S + . . . . ? 0.936 111.9 49.1 -63.7 -50.6 -6.0 -33.4 -34.3 +8IRA B 452 PHE H . . X . . S + . . . . ? 0.957 113.1 47.2 -52.2 -55.3 -2.2 -33.6 -34.3 +8IRA B 453 ALA H . . X . . S + . . . . ? 0.895 115.0 45.0 -59.3 -43.5 -2.0 -33.0 -30.5 +8IRA B 454 HIS H . . X . . S + . . . . ? 0.876 111.9 50.9 -73.8 -36.2 -4.7 -35.5 -29.6 +8IRA B 455 ALA H . . X . . S + . . . . ? 0.912 113.4 47.0 -63.9 -39.7 -3.4 -38.2 -31.9 +8IRA B 456 VAL H . . X . . S + . . . . ? 0.934 113.7 46.4 -70.2 -43.8 0.1 -37.8 -30.5 +8IRA B 457 PHE H . . X . . S + . . . . ? 0.884 109.7 54.4 -65.0 -37.6 -1.1 -37.8 -26.9 +8IRA B 458 ALA H . . X . . S + . . . . ? 0.933 109.7 47.3 -62.5 -43.4 -3.3 -40.9 -27.5 +8IRA B 459 LEU H . . X . . S + . . . . ? 0.905 112.8 48.9 -65.8 -40.6 -0.4 -42.8 -28.8 +8IRA B 460 LEU H . . X . . S + . . . . ? 0.879 107.5 54.8 -63.7 -39.8 1.8 -41.8 -25.9 +8IRA B 461 PHE H . . X . . S + . . . . ? 0.842 96.5 66.2 -68.5 -29.3 -0.9 -42.7 -23.4 +8IRA B 462 PHE H . . X . . S + . . . . ? 0.929 102.2 48.1 -50.3 -45.9 -1.0 -46.2 -24.9 +8IRA B 463 PHE H . . X . . S + . . . . ? 0.914 107.6 55.4 -63.5 -43.0 2.5 -46.6 -23.5 +8IRA B 464 GLY H . . X . . S + . . . . ? 0.855 107.7 49.7 -51.8 -39.9 1.4 -45.3 -20.2 +8IRA B 465 HIS H . . X . . S + . . . . ? 0.942 110.8 48.0 -68.8 -49.8 -1.3 -48.0 -20.1 +8IRA B 466 ILE H . . X . . S + . . . . ? 0.884 114.3 48.4 -52.4 -44.2 1.2 -50.8 -20.9 +8IRA B 467 TRP H . . X . . S + . . . . ? 0.981 116.8 38.7 -62.9 -59.6 3.6 -49.4 -18.2 +8IRA B 468 HIS H . . X . . S + . . . . ? 0.840 114.9 54.7 -66.5 -30.6 1.0 -49.1 -15.4 +8IRA B 469 GLY H . . X . . S + . . . . ? 0.911 108.6 49.5 -63.0 -43.6 -0.7 -52.3 -16.5 +8IRA B 470 ALA H . . X . . S + . . . . ? 0.927 109.3 51.7 -60.8 -45.7 2.6 -54.1 -16.2 +8IRA B 471 ARG H . . < . . S + . . . . ? 0.813 109.4 50.4 -62.0 -33.2 3.3 -52.7 -12.8 +8IRA B 472 THR H . > < . . S + . . . . ? 0.955 116.7 37.8 -67.4 -50.4 -0.1 -53.9 -11.5 +8IRA B 473 LEU H . 3 < . . S + . . . . ? 0.599 126.2 37.2 -84.0 -13.4 0.2 -57.5 -12.7 +8IRA B 474 PHE T . > < . . S + . . . . ? 0.035 72.6 125.6 -125.9 25.7 3.9 -57.8 -11.9 +8IRA B 475 ARG G . X . . . . + . . . . ? 0.849 69.8 62.6 -49.0 -40.9 4.2 -55.8 -8.7 +8IRA B 476 ASP G . 3 . . . S + . . . . ? 0.683 112.0 34.3 -64.8 -21.7 5.7 -58.8 -6.9 +8IRA B 477 VAL G . X . . . S + . . . . ? 0.134 81.2 115.2 -116.9 18.0 8.8 -58.8 -9.2 +8IRA B 478 PHE T . < . . . S + . . . . ? 0.862 84.0 40.8 -58.0 -38.6 9.1 -55.1 -9.7 +8IRA B 479 SER T . 3 . . . S - . . . . ? 0.591 133.6 -61.5 -84.6 -12.5 12.5 -54.9 -7.9 +8IRA B 480 GLY . . < . . . . - . . . . ? -0.775 63.0 -64.2 146.5 168.8 13.7 -58.2 -9.5 +8IRA B 481 ILE B . . . . . . - D H D . ? -0.385 69.1 -72.8 -84.1 163.4 13.0 -61.9 -9.8 +8IRA B 482 ASP . . > . . . . - . . . . ? -0.301 35.4 -143.6 -58.4 125.2 13.1 -64.3 -6.9 +8IRA B 483 PRO T . 3 . . . S + . . . . ? 0.813 101.7 51.6 -60.0 -28.0 16.8 -65.0 -5.9 +8IRA B 484 GLU T . 3 . . . S + . . . . ? -0.048 75.2 156.1 -98.0 29.9 15.8 -68.6 -5.2 +8IRA B 485 LEU . . < . . . . - . . . . ? -0.419 45.8 -124.6 -64.3 117.8 14.1 -69.3 -8.5 +8IRA B 486 SER . . > > . . . - . . . . ? -0.492 6.4 -139.9 -64.0 122.7 14.3 -73.1 -9.0 +8IRA B 487 PRO H . 3 > . . S + . . . . ? 0.695 102.1 66.0 -55.8 -19.1 16.0 -73.9 -12.4 +8IRA B 488 GLU H . 3 4 . . S + . . . . ? 0.787 92.2 58.3 -71.4 -31.9 13.3 -76.6 -12.7 +8IRA B 489 GLN H . < 4 . . S + . . . . ? 0.793 115.4 35.3 -67.2 -29.2 10.5 -74.1 -12.9 +8IRA B 490 VAL H . . < . . S + . . . . ? 0.562 101.9 85.9 -104.1 -15.3 12.1 -72.5 -16.0 +8IRA B 491 GLU S . . < . . S - . . . . ? -0.603 87.0 -100.4 -84.8 154.1 13.5 -75.6 -17.7 +8IRA B 492 TRP S . . . . . S + . . . . ? -0.469 92.3 16.9 -83.2 142.5 11.3 -77.7 -19.9 +8IRA B 493 GLY S . . . . . S + . . . . ? -0.216 90.5 96.5 101.2 -41.5 9.6 -80.9 -18.9 +8IRA B 494 PHE S . . . . . S + . . . . ? 0.867 91.1 37.6 -52.3 -46.0 9.7 -80.8 -15.1 +8IRA B 495 TYR . . . . . . . - . . . . ? -0.887 68.9 -150.2 -108.0 139.7 6.2 -79.3 -14.9 +8IRA B 496 GLN S . . . . . S + . . . . ? 0.931 93.1 43.5 -69.3 -48.3 3.3 -80.4 -17.1 +8IRA B 497 LYS B . > . . . S - AA BN AO . ? -0.887 102.3 -108.6 -101.1 129.4 1.7 -76.9 -16.9 +8IRA B 498 VAL T . 3 . . . S + . . . . ? -0.338 99.5 2.9 -60.9 126.6 4.1 -73.9 -17.1 +8IRA B 499 GLY T . 3 . . . S + . . . . ? 0.296 100.8 114.8 83.6 -9.0 4.6 -72.2 -13.8 +8IRA B 500 ASP . . X . . . . - . . . . ? -0.853 43.1 -173.0 -101.9 109.8 2.4 -74.6 -11.9 +8IRA B 501 VAL G . > . . . S + . . . . ? 0.695 79.0 71.3 -78.4 -16.9 4.5 -76.6 -9.3 +8IRA B 502 THR G . 3 . . . S + . . . . ? 0.445 91.3 63.6 -74.9 0.2 1.6 -78.9 -8.4 +8IRA B 503 THR G . < . . . . . . . . . ? -0.138 . . -117.3 34.9 2.0 -80.6 -11.9 +8IRA B 504 ARG . . < . . . . . . . . . ? 0.960 . . -71.8 . 5.5 -82.0 -11.5 +8IRA C 1 ALA . . > . . . . . . . . . ? . . . . 62.4 42.8 -89.4 -36.4 +8IRA C 2 THR T . 3 . . . . - . . . . ? -0.428 . -20.9 -59.9 106.8 45.8 -87.2 -35.3 +8IRA C 3 ASN T . 3 . . . S + . . . . ? 0.631 97.5 131.4 73.1 19.2 44.4 -83.8 -34.2 +8IRA C 4 ARG . . < . . . . + . . . . ? 0.044 58.7 50.0 -100.9 28.5 41.1 -84.3 -36.2 +8IRA C 5 ASP S . . > . . S - . . . . ? -0.939 87.3 -107.0 -149.1 170.6 38.7 -83.3 -33.4 +8IRA C 6 GLN H . . > . . S + . . . . ? 0.776 113.3 58.0 -69.9 -27.9 38.2 -80.5 -31.0 +8IRA C 7 GLU H . . 4 . . S + . . . . ? 0.925 114.3 35.9 -71.3 -43.8 39.2 -82.5 -27.9 +8IRA C 8 SER H . . 4 . . S + . . . . ? 0.830 129.3 32.0 -75.2 -36.0 42.7 -83.3 -29.3 +8IRA C 9 SER H . . < . . S - . . . . ? 0.725 90.8 -131.0 -99.6 -28.7 43.4 -80.1 -31.1 +8IRA C 10 GLY S . . < . . S + . . . . ? 0.241 75.0 105.2 91.4 -11.0 41.6 -77.4 -29.1 +8IRA C 11 PHE . . . . . . . - . . . . ? -0.873 67.5 -129.3 -109.2 134.9 40.0 -75.9 -32.2 +8IRA C 12 ALA . . > . . . . - . . . . ? -0.270 34.4 -99.2 -73.8 164.6 36.3 -76.4 -33.2 +8IRA C 13 TRP G . > . . . S + . . . . ? 0.797 121.7 60.9 -54.9 -34.6 35.3 -77.6 -36.7 +8IRA C 14 TRP G . 3 . . . S + . . . . ? 0.584 113.2 37.7 -74.3 -10.5 34.6 -74.1 -37.9 +8IRA C 15 ALA G . X . . . S + . . . . ? -0.184 84.4 132.8 -120.2 36.6 38.3 -73.2 -37.2 +8IRA C 16 GLY G . X . . . . + . . . . ? 0.779 58.6 62.9 -61.7 -35.2 39.3 -76.7 -38.4 +8IRA C 17 ASN G . > . . . S + . . . . ? 0.656 88.9 71.2 -70.7 -13.6 42.2 -75.6 -40.7 +8IRA C 18 ALA G . X . . . S + . . . . ? 0.621 81.7 74.6 -72.6 -13.2 44.0 -74.2 -37.6 +8IRA C 19 ARG G . < . . . S + . . . . ? 0.583 88.9 61.1 -70.5 -11.2 44.5 -77.9 -36.7 +8IRA C 20 LEU G . X . . . . + . . . . ? 0.359 69.5 104.4 -93.8 0.5 47.1 -77.9 -39.4 +8IRA C 21 ILE T . < . . . S + . . . . ? 0.892 94.1 26.6 -58.0 -44.3 49.4 -75.3 -38.0 +8IRA C 22 ASN T . 3 . . . S + . . . . ? -0.004 101.4 88.8 -108.9 28.8 52.0 -77.8 -36.8 +8IRA C 23 LEU . . < > . . . + . . . . ? -0.733 51.5 177.4 -120.8 78.6 51.3 -80.6 -39.3 +8IRA C 24 SER H . . > . . S + . . . . ? 0.815 75.2 53.8 -54.1 -38.4 53.7 -79.5 -42.1 +8IRA C 25 GLY H . . > . . S + . . . . ? 0.946 114.5 37.8 -64.2 -54.3 52.8 -82.6 -44.3 +8IRA C 26 LYS H . . > . . S + . . . . ? 0.856 115.9 55.2 -63.4 -38.1 49.0 -82.1 -44.3 +8IRA C 27 LEU H . . X . . S + . . . . ? 0.893 105.6 51.7 -63.2 -41.3 49.5 -78.3 -44.5 +8IRA C 28 LEU H . . X . . S + . . . . ? 0.917 109.4 51.6 -57.7 -46.3 51.7 -78.8 -47.6 +8IRA C 29 GLY H . . X . . S + . . . . ? 0.914 106.7 52.1 -55.4 -48.1 48.8 -80.8 -49.0 +8IRA C 30 ALA H . . X . . S + . . . . ? 0.889 112.4 46.8 -56.3 -41.4 46.2 -78.1 -48.3 +8IRA C 31 HIS H . . X . . S + . . . . ? 0.876 114.1 45.1 -69.7 -40.6 48.4 -75.6 -50.1 +8IRA C 32 VAL H . . X . . S + . . . . ? 0.890 113.0 50.0 -74.4 -40.4 49.1 -77.7 -53.2 +8IRA C 33 ALA H . . X . . S + . . . . ? 0.873 112.9 48.7 -60.7 -39.1 45.5 -78.8 -53.5 +8IRA C 34 HIS H . . X . . S + . . . . ? 0.887 106.5 53.8 -69.6 -42.6 44.5 -75.1 -53.3 +8IRA C 35 ALA H . . X . . S + . . . . ? 0.891 105.4 57.7 -54.9 -40.1 47.1 -74.1 -55.9 +8IRA C 36 GLY H . . X . . S + . . . . ? 0.887 103.4 51.4 -55.5 -44.5 45.4 -76.7 -58.0 +8IRA C 37 LEU H . . X . . S + . . . . ? 0.867 108.6 50.9 -61.4 -40.2 42.0 -75.0 -57.6 +8IRA C 38 ILE H . . X . . S + . . . . ? 0.966 114.9 42.2 -61.2 -51.7 43.5 -71.6 -58.7 +8IRA C 39 VAL H . . X . . S + . . . . ? 0.847 111.2 57.5 -66.6 -36.5 45.0 -73.2 -61.8 +8IRA C 40 PHE H . . X . . S + . . . . ? 0.960 108.0 46.2 -52.5 -56.5 41.8 -75.2 -62.4 +8IRA C 41 TRP H . . X . . S + . . . . ? 0.898 109.6 53.3 -56.6 -48.1 39.8 -72.0 -62.6 +8IRA C 42 ALA H . . X . . S + . . . . ? 0.898 116.5 40.3 -55.1 -45.3 42.2 -70.2 -64.9 +8IRA C 43 GLY H . . X . . S + . . . . ? 0.963 119.1 43.0 -66.4 -56.3 42.0 -73.1 -67.3 +8IRA C 44 ALA H . . X . . S + . . . . ? 0.877 114.1 51.5 -60.0 -40.8 38.3 -73.8 -67.1 +8IRA C 45 MET H . . X . . S + . . . . ? 0.884 107.6 52.2 -68.4 -39.7 37.3 -70.2 -67.2 +8IRA C 46 THR H . . X . . S + . . . . ? 0.896 109.6 48.8 -60.8 -43.5 39.4 -69.5 -70.3 +8IRA C 47 LEU H . . X . . S + . . . . ? 0.868 111.5 50.8 -66.1 -37.5 37.8 -72.4 -72.1 +8IRA C 48 PHE H . . X . . S + . . . . ? 0.939 111.3 47.8 -61.4 -49.9 34.4 -71.1 -71.1 +8IRA C 49 GLU H . . < . . S + . . . . ? 0.938 112.9 48.0 -56.4 -49.2 35.3 -67.6 -72.3 +8IRA C 50 LEU H . > < . . S + . . . . ? 0.897 109.0 53.2 -61.5 -43.7 36.5 -69.0 -75.7 +8IRA C 51 ALA H . 3 < . . S + . . . . ? 0.831 115.4 41.5 -57.5 -35.2 33.4 -71.1 -76.1 +8IRA C 52 HIS T . 3 < . . S + . . . . ? 0.240 93.4 115.7 -96.9 10.6 31.3 -68.0 -75.6 +8IRA C 53 PHE . . < . . . . - . . . . ? -0.710 42.5 -171.6 -91.3 127.8 33.5 -65.8 -77.7 +8IRA C 54 ILE . . > . . . . - . . . . ? -0.981 16.4 -150.2 -108.0 117.1 32.3 -64.1 -80.9 +8IRA C 55 PRO T . 3 . . . S + . . . . ? 0.709 90.8 60.5 -62.6 -20.5 35.4 -62.5 -82.6 +8IRA C 56 GLU T . 3 . . . S + . . . . ? 0.674 93.2 74.4 -83.5 -18.1 33.4 -59.7 -84.3 +8IRA C 57 LYS S . < . . . S - . . . . ? -0.734 97.2 -101.9 -86.5 143.3 32.1 -58.3 -81.0 +8IRA C 58 PRO . . > . . . . - . . . . ? -0.333 30.5 -119.2 -55.4 145.7 34.5 -56.3 -78.8 +8IRA C 59 MET G . > . > . S + . . . . ? 0.854 112.0 61.3 -52.5 -40.1 35.8 -58.3 -75.9 +8IRA C 60 TYR G . 3 . 5 . S + . . . . ? 0.638 97.1 58.1 -73.1 -12.7 34.3 -55.9 -73.4 +8IRA C 61 GLU G . < . 5 . S + . . . . ? 0.415 103.5 56.6 -86.2 0.7 30.8 -56.6 -74.7 +8IRA C 62 GLN T . < . 5 . S - . . . . ? 0.373 109.1 -108.1 -122.3 5.6 31.2 -60.3 -73.9 +8IRA C 63 GLY T . . . 5 . . + . . . . ? 0.801 62.7 156.3 76.6 31.7 32.0 -60.6 -70.2 +8IRA C 64 LEU . . . . < . . + . . . . ? -0.773 18.3 154.8 -99.8 130.7 35.6 -61.5 -70.7 +8IRA C 65 ILE S . . . . . S + . . . . ? 0.540 76.8 44.0 -120.6 -21.3 38.3 -60.9 -68.1 +8IRA C 66 LEU S . > > . . S + . . . . ? 0.911 106.1 54.3 -93.4 -48.9 40.9 -63.6 -69.0 +8IRA C 67 ILE H . 3 > . . S + . . . . ? 0.869 105.4 57.9 -53.0 -40.7 41.1 -63.4 -72.8 +8IRA C 68 PRO H . 3 > . . S + . . . . ? 0.822 104.7 51.7 -55.7 -34.0 41.9 -59.7 -72.4 +8IRA C 69 HIS H . < > . . S + . . . . ? 0.898 112.3 44.4 -68.9 -43.4 44.9 -60.6 -70.2 +8IRA C 70 ILE H . > < > . S + . . . . ? 0.902 112.4 52.4 -66.8 -43.4 46.2 -63.0 -72.8 +8IRA C 71 ALA H . > < 5 . S + . . . . ? 0.869 102.0 59.5 -59.8 -40.5 45.6 -60.6 -75.6 +8IRA C 72 THR H . 3 < 5 . S + . . . . ? 0.799 98.5 60.4 -58.4 -31.4 47.5 -57.8 -73.8 +8IRA C 73 LEU T . < < 5 . S - . . . . ? 0.371 126.0 -100.4 -80.7 3.4 50.6 -60.1 -73.9 +8IRA C 74 GLY T . < . 5 . S + . . . . ? 0.414 78.9 133.1 97.9 0.9 50.5 -60.1 -77.7 +8IRA C 75 TRP S . . . < . S - . . . . ? -0.743 72.9 -2.6 -92.5 126.8 48.8 -63.5 -78.3 +8IRA C 76 GLY S . . . . . S + . . . . ? 0.378 107.8 97.6 89.3 -0.7 45.9 -63.8 -80.7 +8IRA C 77 VAL B . . . . . . + AB BP AP . ? -0.831 41.7 179.0 -127.8 157.9 45.7 -60.2 -81.8 +8IRA C 78 GLY . . > . . . . - . . . . ? -0.540 53.7 -13.8 -135.7 -160.2 46.8 -57.8 -84.5 +8IRA C 79 PRO G . > . . . S + . . . . ? -0.097 130.7 10.5 -50.5 136.1 46.4 -54.1 -85.5 +8IRA C 80 GLY G . 3 . . . S - . . . . ? 0.464 127.5 -74.3 75.2 3.9 43.7 -52.3 -83.6 +8IRA C 81 GLY G . < . . . S + . . . . ? 0.627 82.7 162.3 80.4 16.1 43.3 -55.2 -81.2 +8IRA C 82 GLU . . < . . . . - . . . . ? -0.447 44.2 -116.3 -67.1 138.4 41.5 -57.3 -83.8 +8IRA C 83 VAL B . . . . . . + AB BQ AP . ? -0.710 41.2 166.3 -79.5 121.2 41.5 -61.0 -83.0 +8IRA C 84 VAL . . . . . . . + . . . . ? 0.564 68.3 18.2 -106.1 -18.3 43.4 -62.9 -85.7 +8IRA C 85 ASP . . . . . . . - . . . . ? -0.821 48.7 -171.7 -163.7 111.9 43.8 -66.3 -84.1 +8IRA C 86 THR S . . > . . S + . . . . ? 0.514 70.9 91.5 -83.2 -6.5 41.9 -67.8 -81.1 +8IRA C 87 PHE H . . > . . S + . . . . ? 0.893 79.4 56.3 -63.5 -42.1 44.2 -70.8 -80.8 +8IRA C 88 PRO H . . > . . S + . . . . ? 0.894 106.7 52.3 -53.5 -38.5 46.6 -69.2 -78.3 +8IRA C 89 PHE H . . > . . S + . . . . ? 0.931 109.0 49.7 -63.0 -44.7 43.6 -68.7 -76.0 +8IRA C 90 PHE H . . X . . S + . . . . ? 0.918 110.9 49.5 -56.2 -48.1 42.7 -72.3 -76.4 +8IRA C 91 VAL H . . X . . S + . . . . ? 0.935 108.7 50.5 -58.8 -52.1 46.3 -73.4 -75.5 +8IRA C 92 VAL H . . X . . S + . . . . ? 0.881 114.1 47.1 -55.9 -41.4 46.6 -71.3 -72.4 +8IRA C 93 GLY H . . X . . S + . . . . ? 0.951 113.8 45.2 -64.6 -52.8 43.2 -72.7 -71.2 +8IRA C 94 VAL H . . X . . S + . . . . ? 0.906 111.6 50.7 -57.6 -48.8 44.0 -76.3 -71.8 +8IRA C 95 VAL H . . X . . S + . . . . ? 0.905 111.9 48.6 -65.0 -41.7 47.5 -76.3 -70.4 +8IRA C 96 HIS H . . X . . S + . . . . ? 0.937 112.6 48.2 -55.9 -48.9 46.3 -74.7 -67.2 +8IRA C 97 LEU H . . X . . S + . . . . ? 0.903 113.4 46.4 -63.5 -43.8 43.4 -77.2 -66.9 +8IRA C 98 ILE H . > X . . S + . . . . ? 0.908 110.9 53.4 -62.4 -43.4 45.7 -80.2 -67.5 +8IRA C 99 SER H . 3 X . . S + . . . . ? 0.776 97.7 65.8 -64.2 -28.8 48.3 -78.9 -65.0 +8IRA C 100 SER H . 3 X . . S + . . . . ? 0.829 95.8 57.0 -62.3 -35.9 45.6 -78.5 -62.3 +8IRA C 101 ALA H . < X . . S + . . . . ? 0.871 105.1 50.8 -62.1 -40.4 45.2 -82.3 -62.2 +8IRA C 102 VAL H . . X . . S + . . . . ? 0.941 115.3 41.9 -61.7 -49.1 48.9 -82.8 -61.4 +8IRA C 103 LEU H . . X . . S + . . . . ? 0.907 113.6 52.5 -65.4 -44.9 48.7 -80.3 -58.5 +8IRA C 104 GLY H . . X . . S + . . . . ? 0.903 109.8 50.8 -53.7 -43.4 45.3 -81.7 -57.3 +8IRA C 105 PHE H . . X . . S + . . . . ? 0.923 113.3 42.7 -62.5 -49.5 47.0 -85.1 -57.3 +8IRA C 106 GLY H . . X . . S + . . . . ? 0.901 113.6 54.8 -62.2 -41.7 49.9 -84.0 -55.2 +8IRA C 107 GLY H . . X . . S + . . . . ? 0.934 111.2 42.4 -56.3 -51.2 47.6 -82.0 -53.0 +8IRA C 108 VAL H . . X > . S + . . . . ? 0.874 112.7 54.9 -68.8 -38.0 45.4 -85.0 -52.2 +8IRA C 109 TYR I . . X > . S + . . . . ? 0.974 114.4 38.3 -55.9 -57.9 48.4 -87.3 -51.8 +8IRA C 110 HIS I . . < 5 . S + . . . . ? 0.841 114.8 56.9 -63.2 -33.7 50.1 -85.0 -49.2 +8IRA C 111 ALA I . . < 5 . S + . . . . ? 0.817 129.6 3.0 -71.5 -35.1 46.7 -84.1 -47.5 +8IRA C 112 ILE I . . < 5 . S + . . . . ? 0.579 136.4 32.3 -129.1 -14.1 45.5 -87.6 -46.7 +8IRA C 113 ARG I . . < < . S + . . . . ? 0.765 96.7 75.2 -114.5 -41.4 48.2 -90.2 -47.7 +8IRA C 114 GLY S . . . < . S - . . . . ? 0.061 100.3 -59.0 -68.7 -178.8 51.7 -88.8 -47.3 +8IRA C 115 PRO . . . . . . . - . . . . ? -0.400 42.4 -140.9 -61.8 140.9 53.5 -88.2 -43.9 +8IRA C 116 GLU S . . . . . S + . . . . ? 0.840 89.9 32.1 -73.7 -38.1 51.6 -85.9 -41.7 +8IRA C 117 THR . . . . . . . - . . . . ? -0.933 66.6 -159.7 -117.1 147.3 54.7 -84.1 -40.4 +8IRA C 118 LEU S . . > . . S + . . . . ? 0.529 73.7 84.7 -101.1 -8.7 57.8 -83.7 -42.7 +8IRA C 119 GLU T . . 4 . . S + . . . . ? 0.814 94.9 41.9 -72.3 -32.5 60.4 -83.1 -40.0 +8IRA C 120 GLU T . . 4 . . S + . . . . ? 0.810 117.4 49.2 -79.5 -33.2 61.1 -86.7 -39.3 +8IRA C 121 TYR T . . 4 . . S - . . . . ? 0.894 129.1 -1.2 -71.4 -44.2 61.0 -87.6 -43.0 +8IRA C 122 SER . . . X . . . - . . . . ? -0.939 45.6 -154.7 -155.4 126.2 63.4 -84.8 -44.2 +8IRA C 123 SER T . . 4 . . S + . . . . ? 0.797 100.1 57.2 -68.4 -26.0 65.3 -82.0 -42.5 +8IRA C 124 PHE T . . 4 . . S + . . . . ? 0.980 115.9 29.7 -68.9 -59.3 65.2 -80.1 -45.9 +8IRA C 125 PHE T . . 4 . . S + . . . . ? 0.682 107.5 90.2 -77.4 -19.9 61.4 -80.0 -46.5 +8IRA C 126 GLY . . . < . . . + . . . . ? -0.411 56.5 175.7 -72.4 154.0 60.7 -80.0 -42.7 +8IRA C 127 TYR . . . . . . . - . . . . ? -0.984 28.7 -144.4 -156.3 159.5 60.4 -76.7 -40.8 +8IRA C 128 ASP . . > . . . . - . . . . ? -0.998 22.9 -135.7 -127.2 125.8 59.6 -75.1 -37.5 +8IRA C 129 TRP T . 3 . . . S + . . . . ? 0.789 106.4 54.6 -49.3 -33.8 57.8 -71.7 -37.5 +8IRA C 130 LYS T . 3 . . . S + . . . . ? 0.681 80.4 100.4 -77.9 -19.1 60.2 -70.4 -34.9 +8IRA C 131 ASP . . < > . . . - . . . . ? -0.556 53.3 -173.7 -73.7 96.2 63.2 -71.3 -36.9 +8IRA C 132 LYS H . . > . . S + . . . . ? 0.834 79.8 52.5 -61.5 -37.6 64.1 -67.9 -38.3 +8IRA C 133 ASN H . . > . . S + . . . . ? 0.977 112.0 43.6 -63.8 -55.9 66.8 -69.2 -40.6 +8IRA C 134 LYS H . . > . . S + . . . . ? 0.835 112.1 54.8 -58.2 -35.4 64.7 -71.8 -42.2 +8IRA C 135 MET H . . X . . S + . . . . ? 0.898 109.4 46.0 -67.4 -40.9 61.8 -69.4 -42.6 +8IRA C 136 THR H . . X . . S + . . . . ? 0.753 109.5 56.8 -70.8 -25.5 63.9 -66.9 -44.5 +8IRA C 137 THR H . . X . . S + . . . . ? 0.915 108.3 44.9 -71.5 -44.4 65.3 -69.7 -46.6 +8IRA C 138 ILE H . . X . . S + . . . . ? 0.907 114.3 50.1 -64.1 -44.6 61.9 -70.7 -47.8 +8IRA C 139 LEU H . . X . . S + . . . . ? 0.947 109.5 53.0 -51.4 -52.0 61.1 -67.1 -48.3 +8IRA C 140 GLY H . . X . . S + . . . . ? 0.895 106.2 51.4 -53.1 -49.3 64.3 -66.8 -50.3 +8IRA C 141 PHE H . . X . . S + . . . . ? 0.912 111.1 48.2 -55.9 -45.0 63.5 -69.7 -52.6 +8IRA C 142 HIS H . . X . . S + . . . . ? 0.821 105.7 57.3 -71.0 -33.1 60.1 -68.1 -53.4 +8IRA C 143 LEU H . . X . . S + . . . . ? 0.900 106.8 50.1 -58.7 -41.0 61.6 -64.7 -54.1 +8IRA C 144 ILE H . . X . . S + . . . . ? 0.926 110.4 49.9 -63.6 -45.7 63.8 -66.3 -56.7 +8IRA C 145 VAL H . . X . . S + . . . . ? 0.914 111.8 47.9 -53.5 -48.2 60.7 -68.0 -58.3 +8IRA C 146 LEU H . . X . . S + . . . . ? 0.894 109.7 53.2 -64.0 -42.0 58.9 -64.6 -58.3 +8IRA C 147 GLY H . . X . . S + . . . . ? 0.900 108.2 49.5 -58.2 -46.3 61.9 -62.9 -59.9 +8IRA C 148 ILE H . . X . . S + . . . . ? 0.910 107.1 57.4 -57.5 -43.8 62.0 -65.5 -62.7 +8IRA C 149 GLY H . . X . . S + . . . . ? 0.900 106.9 46.9 -52.7 -48.2 58.3 -64.9 -63.2 +8IRA C 150 ALA H . > X . . S + . . . . ? 0.879 109.0 54.3 -63.3 -39.4 58.9 -61.2 -63.8 +8IRA C 151 LEU H . 3 X . . S + . . . . ? 0.790 98.6 64.2 -68.6 -25.2 61.8 -62.0 -66.2 +8IRA C 152 LEU H . 3 X . . S + . . . . ? 0.820 101.1 50.7 -63.8 -30.9 59.4 -64.2 -68.2 +8IRA C 153 LEU H . < X . . S + . . . . ? 0.878 109.7 49.7 -71.4 -39.6 57.4 -61.1 -69.0 +8IRA C 154 VAL H . . X . . S + . . . . ? 0.927 110.1 51.6 -60.9 -46.3 60.5 -59.3 -70.1 +8IRA C 155 ALA H . . X > . S + . . . . ? 0.913 109.5 48.6 -57.5 -48.6 61.3 -62.3 -72.3 +8IRA C 156 LYS H . . X 5 . S + . . . . ? 0.919 116.1 45.0 -55.0 -46.7 57.9 -62.3 -73.9 +8IRA C 157 ALA H . . < 5 . S + . . . . ? 0.835 125.3 28.4 -68.7 -37.2 58.2 -58.5 -74.6 +8IRA C 158 MET H . . < 5 . S + . . . . ? 0.843 135.9 15.2 -96.9 -35.9 61.8 -58.6 -75.9 +8IRA C 159 PHE H . . < 5 . S + . . . . ? 0.581 115.9 55.0 -121.9 -16.6 62.3 -62.0 -77.5 +8IRA C 160 PHE S . . < < . S - . . . . ? -0.390 123.6 -59.8 -128.8 58.1 59.0 -63.8 -78.1 +8IRA C 161 GLY S . . . . . S - . . . . ? -0.039 76.1 -118.6 104.2 -29.3 56.6 -61.6 -80.1 +8IRA C 162 GLY . . . . . . . - . . . . ? -0.585 36.2 -65.3 97.1 -158.1 56.3 -58.5 -77.8 +8IRA C 163 LEU E . . . . . . - AC BR AQ . ? -0.896 48.5 -92.4 -131.1 158.1 53.3 -57.0 -76.1 +8IRA C 164 TYR E . . . . . . - AC BR AQ . ? -0.615 41.1 -161.1 -71.8 125.2 50.1 -55.3 -77.3 +8IRA C 165 ASP E . > . . . . - AC BR AQ . ? -0.912 16.8 -173.0 -115.6 106.2 50.8 -51.6 -77.4 +8IRA C 166 THR T . 3 . . . S + . . . . ? 0.747 89.4 56.6 -65.5 -23.6 47.7 -49.4 -77.5 +8IRA C 167 TRP T . 3 . . . S + . . . . ? 0.423 76.6 132.8 -86.6 1.8 50.0 -46.4 -78.0 +8IRA C 168 ALA . . X > . . . - . . . . ? -0.265 68.8 -113.9 -63.8 141.3 51.5 -47.8 -81.2 +8IRA C 169 PRO T . 3 4 . . S + . . . . ? 0.610 107.7 56.2 -58.1 -20.5 51.6 -45.3 -84.0 +8IRA C 170 GLY T . 3 4 . . S - . . . . ? 0.345 133.2 -71.8 -93.2 7.4 49.2 -47.0 -86.4 +8IRA C 171 GLY T . < 4 . . S - . . . . ? 0.434 98.8 -43.0 111.8 6.9 46.1 -47.3 -84.0 +8IRA C 172 GLY S . . < . . S + . . . . ? 0.218 72.1 160.7 105.9 132.2 47.5 -50.0 -81.7 +8IRA C 173 ASP E . . . . . . - AC BS AQ . ? -0.968 46.5 -75.3 -165.7 170.6 49.4 -53.2 -82.5 +8IRA C 174 VAL E . . . . . . - AC BS AQ . ? -0.705 54.9 -179.4 -79.3 134.1 51.7 -55.9 -81.2 +8IRA C 175 ARG E . . . . . . - AC BS AQ . ? -1.000 29.0 -126.7 -143.2 135.3 55.2 -54.5 -80.8 +8IRA C 176 VAL . . . . . . . - . . . . ? -0.645 25.0 -134.6 -77.5 137.2 58.6 -55.9 -79.7 +8IRA C 177 ILE . . . . . . . + . . . . ? -0.874 32.9 167.5 -95.5 104.1 60.2 -53.7 -77.0 +8IRA C 178 THR S . . . . . S + . . . . ? 0.818 70.1 40.0 -88.1 -32.0 63.8 -53.3 -78.0 +8IRA C 179 ASN S . . . . . S - . . . . ? -0.704 72.7 -174.1 -123.8 79.9 64.8 -50.5 -75.6 +8IRA C 180 PRO . . . . . . . - . . . . ? -0.429 38.4 -98.3 -70.4 146.5 63.3 -51.0 -72.1 +8IRA C 181 THR . . . . . . . + . . . . ? -0.515 48.1 164.4 -70.0 117.5 63.8 -48.2 -69.6 +8IRA C 182 LEU . . . . . . . + . . . . ? 0.600 36.0 115.5 -107.5 -14.7 66.8 -49.1 -67.3 +8IRA C 183 ASP . . > > . . . - . . . . ? -0.374 57.8 -149.7 -61.5 116.5 67.4 -45.6 -65.8 +8IRA C 184 PRO H . 3 > . . S + . . . . ? 0.749 92.0 64.9 -64.5 -24.6 66.6 -45.9 -62.0 +8IRA C 185 ARG H . 3 4 . . S + . . . . ? 0.766 109.7 39.1 -67.8 -27.5 65.5 -42.3 -61.8 +8IRA C 186 VAL H . < > . . S + . . . . ? 0.894 120.0 44.6 -83.5 -49.4 62.6 -43.1 -64.1 +8IRA C 187 ILE H . > < . . S + . . . . ? 0.959 123.8 33.1 -62.7 -55.6 61.8 -46.5 -62.7 +8IRA C 188 PHE G . > X . . S + . . . . ? 0.699 107.1 72.6 -76.3 -17.1 62.0 -45.6 -59.0 +8IRA C 189 GLY G . > 4 . . S + . . . . ? 0.802 89.7 60.6 -63.0 -32.3 60.7 -42.1 -59.7 +8IRA C 190 TYR G . X < . . S + . . . . ? 0.845 99.4 57.0 -59.5 -37.0 57.3 -43.7 -60.3 +8IRA C 191 LEU G . < 4 . . S + . . . . ? 0.714 106.0 48.8 -68.8 -25.9 57.4 -44.9 -56.7 +8IRA C 192 LEU G . < < . . S + . . . . ? 0.395 84.9 113.8 -98.7 2.6 57.8 -41.4 -55.3 +8IRA C 193 LYS S . < . . . S - . . . . ? -0.468 77.4 -102.1 -68.9 142.4 55.0 -39.8 -57.3 +8IRA C 194 SER . . . . . . . - . . . . ? -0.326 21.2 -136.0 -55.4 140.6 52.0 -38.5 -55.4 +8IRA C 195 PRO S . . . . . S + . . . . ? 0.257 74.2 99.3 -84.1 15.0 48.9 -40.9 -55.6 +8IRA C 196 PHE S . > > . . S - . . . . ? -0.344 86.4 -51.7 -98.6 176.9 46.6 -37.9 -56.2 +8IRA C 197 GLY T . 3 4 . . S + . . . . ? -0.115 122.5 16.0 -52.7 139.8 45.1 -36.4 -59.3 +8IRA C 198 GLY T . 3 4 . . S + . . . . ? 0.360 129.8 51.7 79.8 -3.5 47.4 -35.6 -62.2 +8IRA C 199 GLU T . < 4 . . . - . . . . ? 0.624 68.4 -179.0 -123.6 -69.9 50.2 -37.8 -60.7 +8IRA C 200 GLY . . > < . . . - . . . . ? 0.504 35.3 -123.1 84.2 9.1 48.7 -41.2 -59.9 +8IRA C 201 TRP G . > . . . S - . . . . ? -0.242 80.2 -19.7 53.1 -136.0 51.7 -42.9 -58.4 +8IRA C 202 ILE G . > . . . S + . . . . ? 0.674 128.6 76.4 -76.6 -16.4 52.6 -46.2 -60.3 +8IRA C 203 VAL G . < . . . S + . . . . ? 0.745 83.7 69.9 -63.4 -22.1 49.1 -46.4 -61.8 +8IRA C 204 SER G . < . . . . + . . . . ? 0.491 63.0 131.8 -75.5 -4.1 50.3 -43.6 -64.2 +8IRA C 205 VAL . . < . . . . + . . . . ? -0.325 29.0 175.4 -57.1 123.4 52.7 -45.8 -66.1 +8IRA C 206 ASN . . . . . . . + . . . . ? 0.076 48.1 50.4 -126.2 18.9 51.9 -45.0 -69.8 +8IRA C 207 ASN . . . > . . . - . . . . ? -0.985 69.6 -126.9 -159.8 152.7 54.3 -46.9 -72.0 +8IRA C 208 LEU H . . > . . S + . . . . ? 0.761 103.5 65.7 -79.9 -24.7 55.7 -50.4 -72.3 +8IRA C 209 GLU H . . > . . S + . . . . ? 0.908 107.3 43.6 -60.1 -42.3 59.4 -49.5 -72.2 +8IRA C 210 ASP H . . > . . S + . . . . ? 0.866 114.4 50.9 -68.9 -39.6 58.8 -48.4 -68.6 +8IRA C 211 VAL H . . X . . S + . . . . ? 0.976 115.0 41.2 -58.7 -57.5 56.7 -51.5 -67.9 +8IRA C 212 VAL H . . X . . S + . . . . ? 0.898 115.4 51.3 -61.4 -42.4 59.3 -53.9 -69.3 +8IRA C 213 GLY H . . X . . S + . . . . ? 0.870 105.8 56.1 -60.9 -38.8 62.1 -51.9 -67.6 +8IRA C 214 GLY H . . X . . S + . . . . ? 0.815 106.5 50.1 -61.7 -33.4 60.3 -52.1 -64.3 +8IRA C 215 HIS H . . X . . S + . . . . ? 0.778 104.0 57.4 -80.6 -26.9 60.2 -55.9 -64.5 +8IRA C 216 ILE H . . X . . S + . . . . ? 0.963 112.0 43.8 -60.3 -48.7 63.9 -56.1 -65.2 +8IRA C 217 TRP H . . X . . S + . . . . ? 0.929 114.7 47.1 -62.7 -49.5 64.5 -54.2 -62.0 +8IRA C 218 ILE H . . X . . S + . . . . ? 0.867 110.6 54.4 -60.3 -41.5 61.9 -56.3 -60.0 +8IRA C 219 GLY H . . X . . S + . . . . ? 0.921 112.4 41.5 -55.1 -50.5 63.4 -59.5 -61.4 +8IRA C 220 LEU H . . X . . S + . . . . ? 0.900 114.2 51.8 -66.5 -43.8 66.9 -58.7 -60.2 +8IRA C 221 ILE H . . X . . S + . . . . ? 0.903 110.9 48.7 -63.2 -39.2 65.8 -57.3 -56.9 +8IRA C 222 CYS H . . X . . S + . . . . ? 0.909 113.2 45.4 -66.2 -45.2 63.8 -60.5 -56.2 +8IRA C 223 ILE H . . X . . S + . . . . ? 0.906 116.1 47.9 -64.3 -40.0 66.6 -62.9 -57.1 +8IRA C 224 ALA H . . X . . S + . . . . ? 0.945 112.7 46.9 -64.2 -50.2 69.0 -60.7 -55.1 +8IRA C 225 GLY H . . X . . S + . . . . ? 0.874 111.0 54.7 -57.2 -39.2 66.7 -60.6 -52.1 +8IRA C 226 GLY H . . X . . S + . . . . ? 0.898 109.3 44.8 -60.6 -47.9 66.2 -64.4 -52.5 +8IRA C 227 ILE H . > X . . S + . . . . ? 0.966 112.7 53.9 -59.1 -53.7 70.0 -65.1 -52.3 +8IRA C 228 TRP H . 3 X . . S + . . . . ? 0.870 108.8 46.8 -45.1 -51.0 70.3 -62.7 -49.4 +8IRA C 229 HIS H . 3 < . . S + . . . . ? 0.749 110.8 51.7 -75.0 -24.5 67.5 -64.4 -47.3 +8IRA C 230 ILE H . < < . . S + . . . . ? 0.954 116.3 40.7 -65.6 -51.1 68.9 -67.9 -47.9 +8IRA C 231 LEU H . . < . . S + . . . . ? 0.657 115.5 56.6 -77.0 -18.3 72.4 -66.9 -46.8 +8IRA C 232 THR . . . < . . . - . . . . ? -0.582 62.0 -146.1 -113.3 171.8 71.3 -64.7 -43.9 +8IRA C 233 THR . . . . . . . - . . . . ? -0.951 47.5 -79.2 -128.2 151.3 69.3 -64.9 -40.6 +8IRA C 234 PRO . . . . . . . - . . . . ? -0.241 48.4 -121.8 -56.1 137.1 67.2 -62.0 -39.2 +8IRA C 235 PHE . . > > . . . - . . . . ? -0.310 28.6 -100.2 -72.4 163.1 69.2 -59.3 -37.4 +8IRA C 236 GLY H . 3 > . . S + . . . . ? 0.835 120.2 56.4 -56.5 -41.4 68.5 -58.4 -33.8 +8IRA C 237 TRP H . 3 4 . . S + . . . . ? 0.828 113.0 42.3 -63.4 -33.5 66.5 -55.3 -34.6 +8IRA C 238 ALA H . X > . . S + . . . . ? 0.873 109.7 57.6 -75.5 -42.7 64.1 -57.4 -36.7 +8IRA C 239 ARG H . 3 < . . S + . . . . ? 0.894 110.4 44.3 -55.0 -41.3 64.1 -60.2 -34.1 +8IRA C 240 ARG T . 3 < . . S + . . . . ? 0.670 111.5 54.7 -75.7 -18.1 62.8 -57.7 -31.5 +8IRA C 241 ALA T . < 4 . . S + . . . . ? 0.640 101.8 55.8 -94.4 -20.6 60.2 -56.1 -33.8 +8IRA C 242 PHE S . . < . . S - . . . . ? -0.743 73.6 -119.7 -116.3 159.6 58.2 -59.1 -35.1 +8IRA C 243 ILE . . . . . . . - . . . . ? -0.864 27.3 -147.7 -90.2 134.1 56.1 -62.0 -33.8 +8IRA C 244 TRP . . . . . . . + . . . . ? -0.780 51.3 104.5 -111.4 87.8 57.6 -65.3 -35.0 +8IRA C 245 SER S . . > . . S - . . . . ? -0.979 77.9 -105.2 -157.6 159.0 54.8 -67.7 -35.5 +8IRA C 246 GLY H . . > . . S + . . . . ? 0.906 121.0 47.2 -53.1 -47.5 52.8 -69.4 -38.3 +8IRA C 247 GLU H . . > . . S + . . . . ? 0.864 110.5 52.7 -65.6 -38.3 49.7 -67.2 -37.6 +8IRA C 248 ALA H . . > . . S + . . . . ? 0.921 108.4 50.0 -62.5 -44.1 51.9 -64.0 -37.5 +8IRA C 249 TYR H . . X . . S + . . . . ? 0.898 110.1 50.8 -64.1 -42.2 53.4 -64.9 -40.9 +8IRA C 250 LEU H . . X . . S + . . . . ? 0.905 108.4 53.1 -57.7 -42.8 49.9 -65.4 -42.3 +8IRA C 251 SER H . . X . . S + . . . . ? 0.912 106.2 51.8 -62.6 -42.5 48.9 -62.0 -40.9 +8IRA C 252 TYR H . . X . . S + . . . . ? 0.886 111.9 46.7 -60.4 -42.9 51.8 -60.2 -42.6 +8IRA C 253 SER H . . X . . S + . . . . ? 0.825 107.3 56.5 -69.7 -32.6 50.9 -61.7 -46.0 +8IRA C 254 LEU H . . X . . S + . . . . ? 0.879 108.3 49.2 -65.5 -37.5 47.2 -60.9 -45.5 +8IRA C 255 GLY H . . X . . S + . . . . ? 0.907 111.8 48.5 -62.1 -44.3 48.2 -57.3 -45.1 +8IRA C 256 ALA H . . X . . S + . . . . ? 0.954 112.1 47.7 -63.2 -51.5 50.4 -57.4 -48.2 +8IRA C 257 LEU H . . X . . S + . . . . ? 0.864 109.7 53.7 -60.7 -37.4 47.7 -59.0 -50.3 +8IRA C 258 SER H . . X . . S + . . . . ? 0.957 109.6 47.3 -57.8 -52.2 45.1 -56.5 -49.1 +8IRA C 259 MET H . . X . . S + . . . . ? 0.905 113.2 48.9 -56.8 -45.4 47.3 -53.6 -50.1 +8IRA C 260 MET H . . X . . S + . . . . ? 0.903 107.0 56.0 -61.2 -43.5 48.0 -55.2 -53.5 +8IRA C 261 GLY H . . X . . S + . . . . ? 0.894 107.9 48.6 -56.2 -41.7 44.2 -55.8 -54.0 +8IRA C 262 PHE H . . X . . S + . . . . ? 0.869 110.9 49.5 -65.4 -41.6 43.6 -52.1 -53.5 +8IRA C 263 ILE H . . X . . S + . . . . ? 0.926 109.2 52.4 -62.7 -46.5 46.3 -51.1 -56.0 +8IRA C 264 ALA H . . X . . S + . . . . ? 0.863 105.0 56.5 -56.2 -39.0 44.9 -53.5 -58.6 +8IRA C 265 THR H . . X . . S + . . . . ? 0.927 111.9 41.3 -57.5 -47.7 41.5 -51.9 -58.2 +8IRA C 266 CYS H . . X . . S + . . . . ? 0.840 111.0 58.1 -71.1 -35.0 42.9 -48.5 -59.1 +8IRA C 267 PHE H . . X . . S + . . . . ? 0.954 109.9 41.6 -57.8 -53.1 45.1 -49.9 -61.8 +8IRA C 268 VAL H . . < . . S + . . . . ? 0.783 116.1 52.1 -69.5 -26.2 42.2 -51.4 -63.8 +8IRA C 269 TRP H . . < . . S + . . . . ? 0.834 126.3 15.7 -77.2 -35.9 40.1 -48.3 -63.1 +8IRA C 270 PHE H . . < . . S + . . . . ? 0.761 103.1 85.6 -109.7 -36.1 42.5 -45.7 -64.4 +8IRA C 271 ASN . . . < . . . + . . . . ? -0.594 37.6 172.7 -84.8 130.5 45.2 -47.2 -66.4 +8IRA C 272 ASN . . . . > . . + . . . . ? 0.131 69.0 68.8 -119.6 19.1 44.6 -47.8 -70.1 +8IRA C 273 THR T . . . 5 . S + . . . . ? 0.855 112.3 24.2 -98.3 -57.8 48.1 -49.0 -71.1 +8IRA C 274 VAL T . . . 5 . S + . . . . ? 0.514 132.3 46.0 -89.7 -8.9 48.5 -52.4 -69.4 +8IRA C 275 TYR T . . . 5 . S - . . . . ? -0.771 94.6 -153.7 -119.7 83.7 44.7 -52.6 -69.4 +8IRA C 276 PRO T . > > 5 . . - . . . . ? -0.335 14.3 -137.7 -61.4 137.5 44.0 -51.6 -73.1 +8IRA C 277 SER H . 3 > < . S + . . . . ? 0.751 101.1 70.2 -68.5 -24.9 40.6 -50.0 -73.6 +8IRA C 278 GLU H . 3 4 . . S + . . . . ? 0.798 115.9 23.9 -55.8 -32.6 40.3 -52.0 -76.9 +8IRA C 279 PHE H . < 4 . . S + . . . . ? 0.784 134.4 32.8 -103.1 -40.2 40.0 -55.1 -74.7 +8IRA C 280 TYR H . . < . . S - . . . . ? 0.510 107.5 -117.6 -96.1 -8.1 38.7 -53.9 -71.3 +8IRA C 281 GLY . . . < . . . - . . . . ? -0.077 49.8 -44.0 84.7 169.6 36.6 -51.0 -72.6 +8IRA C 282 PRO . . . . . . . - . . . . ? -0.256 59.4 -114.0 -68.1 154.5 37.1 -47.3 -71.8 +8IRA C 283 THR . . . > . . . - . . . . ? -0.278 33.4 -102.5 -70.3 169.1 37.9 -46.1 -68.3 +8IRA C 284 GLY H . . > . . S + . . . . ? 0.950 126.7 46.0 -57.2 -53.0 35.3 -43.9 -66.5 +8IRA C 285 PRO H . . > . . S + . . . . ? 0.915 112.8 52.2 -52.7 -43.5 37.5 -40.8 -67.2 +8IRA C 286 GLU H . . > . . S + . . . . ? 0.938 109.7 45.8 -62.3 -50.7 37.9 -42.0 -70.8 +8IRA C 287 ALA H . . X . . S + . . . . ? 0.908 113.1 51.1 -61.3 -43.4 34.2 -42.4 -71.5 +8IRA C 288 SER H . > X . . S + . . . . ? 0.936 111.6 46.1 -58.6 -50.8 33.4 -39.0 -69.9 +8IRA C 289 GLN H . 3 X . . S + . . . . ? 0.886 108.1 58.8 -56.2 -41.8 36.0 -37.2 -72.0 +8IRA C 290 ALA H . 3 X . . S + . . . . ? 0.761 100.1 56.1 -63.7 -28.2 34.7 -39.0 -75.1 +8IRA C 291 GLN H . < X . . S + . . . . ? 0.930 107.7 47.8 -67.8 -45.5 31.2 -37.6 -74.6 +8IRA C 292 ALA H . . X . . S + . . . . ? 0.920 113.1 48.9 -59.1 -45.6 32.6 -34.0 -74.6 +8IRA C 293 MET H . . X . . S + . . . . ? 0.889 108.0 55.0 -59.8 -43.3 34.5 -34.9 -77.8 +8IRA C 294 THR H . . X . . S + . . . . ? 0.914 113.2 39.5 -58.9 -46.1 31.5 -36.4 -79.4 +8IRA C 295 PHE H . . X . . S + . . . . ? 0.732 110.6 58.1 -82.4 -23.8 29.3 -33.3 -79.0 +8IRA C 296 LEU H . . X . . S + . . . . ? 0.949 111.9 43.8 -62.0 -48.3 32.2 -30.9 -79.8 +8IRA C 297 ILE H . . X . . S + . . . . ? 0.915 114.1 48.6 -64.2 -46.8 32.4 -32.7 -83.1 +8IRA C 298 ARG H . . X . . S + . . . . ? 0.948 116.5 42.1 -56.5 -50.3 28.7 -32.8 -83.7 +8IRA C 299 ASP H . . < > . S + . . . . ? 0.849 111.0 54.7 -73.9 -34.1 28.2 -29.2 -83.0 +8IRA C 300 GLN H . > < 5 . S + . . . . ? 0.893 105.9 53.6 -64.0 -41.1 31.3 -28.0 -84.9 +8IRA C 301 LYS H . 3 < 5 . S + . . . . ? 0.781 104.9 55.2 -59.8 -32.6 30.0 -29.8 -88.0 +8IRA C 302 LEU T . 3 < 5 . S - . . . . ? 0.487 131.9 -92.7 -79.2 -7.1 26.7 -27.8 -87.6 +8IRA C 303 GLY T . < . 5 . S + . . . . ? 0.476 74.2 146.1 112.9 6.7 28.7 -24.6 -87.6 +8IRA C 304 ALA . . . . < . . - . . . . ? -0.520 48.1 -135.5 -74.6 139.8 29.4 -23.8 -83.9 +8IRA C 305 ASN . . > > . . . - . . . . ? -0.853 24.1 -171.0 -86.3 97.6 32.7 -22.1 -83.0 +8IRA C 306 VAL T . 3 4 . . S + . . . . ? 0.748 75.3 61.7 -69.2 -25.3 33.4 -24.3 -80.0 +8IRA C 307 GLY T . 3 4 . . S + . . . . ? 0.858 113.7 33.2 -67.7 -35.9 36.4 -22.2 -78.8 +8IRA C 308 SER T . < 4 . . S + . . . . ? 0.394 84.9 121.3 -103.5 2.7 34.2 -19.1 -78.1 +8IRA C 309 ALA . . . < . . . - . . . . ? -0.578 52.2 -151.0 -76.2 108.3 30.9 -20.8 -77.1 +8IRA C 310 GLN B . . . . . . - AD BT AR . ? -0.663 11.4 -142.3 -79.3 131.4 30.1 -19.5 -73.6 +8IRA C 311 GLY . . > . . . . - . . . . ? -0.380 31.7 -89.7 -89.5 171.0 28.1 -22.0 -71.6 +8IRA C 312 PRO T . 3 . . . S + . . . . ? 0.770 126.2 49.5 -52.1 -33.0 25.2 -21.3 -69.1 +8IRA C 313 THR T . 3 . . . S - . . . . ? 0.633 119.7 -106.0 -80.7 -15.7 27.6 -20.9 -66.1 +8IRA C 314 GLY S . < . . . S + . . . . ? 0.024 91.0 111.1 104.0 -26.2 29.9 -18.6 -67.9 +8IRA C 315 LEU S . . . . . S - . . . . ? -0.416 87.2 -80.3 -67.3 154.6 32.5 -21.3 -68.4 +8IRA C 316 GLY B . . . . . . - AD BU AR . ? -0.308 31.9 -138.5 -59.5 142.9 33.0 -22.5 -71.9 +8IRA C 317 LYS S . . . . . S + . . . . ? 0.891 99.2 9.9 -68.9 -41.5 30.4 -25.0 -73.1 +8IRA C 318 TYR S . . . . . S + . . . . ? 0.778 133.0 32.4 -107.1 -40.5 33.0 -27.2 -74.9 +8IRA C 319 LEU E . . . . . . + AE BV AS . ? -0.959 59.6 150.6 -128.6 141.3 36.4 -25.9 -73.8 +8IRA C 320 MET E . . . . . . - AE BV AS . ? -0.845 42.0 -88.2 -147.1 -175.3 37.7 -24.3 -70.6 +8IRA C 321 ARG E . . . . . . - AE BV AS . ? -0.801 28.7 -130.7 -102.0 145.8 40.9 -24.0 -68.6 +8IRA C 322 SER . . > . . . . - . . . . ? -0.387 44.7 -92.5 -76.4 168.6 42.2 -26.3 -65.9 +8IRA C 323 PRO T . 3 . . . S + . . . . ? 0.729 132.3 48.5 -60.7 -19.0 43.3 -24.6 -62.6 +8IRA C 324 THR T . 3 . . . S - . . . . ? 0.299 125.8 -102.9 -102.1 7.9 46.8 -24.5 -64.1 +8IRA C 325 GLY . . < . . . . + . . . . ? 0.300 69.1 144.4 100.6 -7.6 45.6 -23.1 -67.4 +8IRA C 326 GLU . . . . . . . - . . . . ? -0.375 57.1 -110.4 -63.7 142.5 45.6 -26.0 -69.8 +8IRA C 327 ILE E . . . . . . + AE BW AS AT ? -0.651 52.8 164.4 -77.0 124.1 42.8 -26.1 -72.3 +8IRA C 328 ILE E . . . . . . - AE BW AS . ? -0.849 42.2 -76.8 -135.4 167.7 40.5 -28.9 -71.5 +8IRA C 329 PHE E . . . . . . - AE BW AS . ? -0.433 50.0 -134.1 -67.3 143.2 37.0 -30.2 -72.2 +8IRA C 330 GLY . . . . . . . + . . . . ? -0.297 59.9 55.2 -96.8 -179.0 34.2 -28.4 -70.4 +8IRA C 331 GLY S . > . . . S - . . . . ? -0.473 115.7 -35.1 84.2 -165.9 31.1 -29.6 -68.5 +8IRA C 332 GLU G . > . . . S + . . . . ? 0.766 127.8 77.0 -62.5 -24.6 31.3 -32.0 -65.5 +8IRA C 333 THR G . > . . . . + . . . . ? 0.502 62.5 97.7 -66.5 -2.9 34.2 -33.8 -67.3 +8IRA C 334 MET G . X . . . S + . . . . ? 0.814 75.4 64.7 -51.1 -29.8 36.4 -30.9 -66.1 +8IRA C 335 ARG G . < . . . S + . . . . ? 0.580 98.8 52.9 -68.8 -13.0 37.3 -33.3 -63.3 +8IRA C 336 PHE G . X . . . . + . . . . ? 0.126 64.6 118.7 -112.7 18.7 38.9 -35.8 -65.8 +8IRA C 337 TRP T . < . . . . + . . . . ? 0.658 66.8 70.7 -65.6 -14.3 41.3 -33.5 -67.7 +8IRA C 338 ASP T . 3 . . . S + . . . . ? 0.551 74.8 117.2 -74.1 -9.3 44.2 -35.7 -66.4 +8IRA C 339 PHE . . < . . . . - . . . . ? -0.351 44.4 -173.8 -60.5 137.9 42.9 -38.4 -68.8 +8IRA C 340 ARG . . . . . . . + . . . . ? -0.997 12.1 155.3 -132.0 138.8 45.3 -39.4 -71.6 +8IRA C 341 GLY . . > > . . . - . . . . ? -0.975 50.4 -109.0 -161.0 155.3 44.5 -41.8 -74.4 +8IRA C 342 PRO T . 3 4 . . S + . . . . ? 0.768 114.2 53.2 -57.3 -33.2 45.7 -42.5 -78.0 +8IRA C 343 TRP T . 3 4 . . S + . . . . ? 0.684 116.4 38.0 -76.3 -19.8 42.5 -41.2 -79.7 +8IRA C 344 LEU T . X 4 . . S + . . . . ? 0.766 95.4 77.1 -100.8 -32.6 42.7 -37.8 -77.9 +8IRA C 345 GLU G . > < . . S + . . . . ? 0.810 81.6 68.0 -58.1 -35.4 46.5 -37.0 -77.8 +8IRA C 346 PRO G . 3 . . . S + . . . . ? 0.734 100.4 52.4 -54.8 -21.9 46.8 -35.9 -81.5 +8IRA C 347 LEU G . < . . . S + . . . . ? 0.483 92.0 100.5 -88.9 -5.7 44.6 -32.9 -80.6 +8IRA C 348 ARG E . < . . . . + AE BX AU . ? -0.613 46.0 172.5 -87.4 138.6 46.9 -31.9 -77.7 +8IRA C 349 GLY E . > . . . . - AE BX AU . ? -0.687 54.4 -73.0 -125.4 -172.8 49.5 -29.1 -78.0 +8IRA C 350 PRO T . 3 . . . S + . . . . ? 0.832 133.0 43.1 -52.1 -36.5 51.8 -27.4 -75.5 +8IRA C 351 ASN T . 3 . . . S - . . . . ? 0.252 122.9 -98.4 -96.4 13.0 48.9 -25.5 -73.9 +8IRA C 352 GLY E . < . . . S + AE BY AT AU ? -0.815 91.8 19.0 105.7 -150.2 46.4 -28.5 -73.8 +8IRA C 353 LEU E . . . . . S - AE BY . AU ? -0.326 79.9 -134.1 -59.3 132.6 43.7 -29.1 -76.4 +8IRA C 354 ASP . . . > . . . - . . . . ? -0.827 7.6 -153.0 -100.3 124.1 44.6 -27.1 -79.5 +8IRA C 355 LEU H . . > . . S + . . . . ? 0.840 96.2 51.7 -65.6 -35.5 41.8 -25.1 -81.1 +8IRA C 356 ASN H . . > . . S + . . . . ? 0.916 110.2 47.9 -67.0 -44.0 43.4 -25.2 -84.6 +8IRA C 357 LYS H . . > . . S + . . . . ? 0.852 111.4 52.4 -64.5 -35.3 43.8 -29.0 -84.4 +8IRA C 358 ILE H . . < . . S + . . . . ? 0.945 112.2 45.0 -63.8 -47.2 40.2 -29.2 -83.3 +8IRA C 359 LYS H . . < . . S + . . . . ? 0.776 132.1 15.0 -65.1 -29.7 39.0 -27.1 -86.2 +8IRA C 360 ASN H . . < . . S + . . . . ? 0.722 119.8 48.1 -120.5 -28.5 41.0 -28.9 -88.9 +8IRA C 361 ASP . . . < . . . + . . . . ? 0.226 61.2 126.4 -117.6 11.2 42.5 -32.3 -87.9 +8IRA C 362 ILE . . . . . . . - . . . . ? -0.638 47.8 -153.4 -72.4 116.0 39.8 -34.4 -86.3 +8IRA C 363 GLN . . > > . . . - . . . . ? -0.524 23.6 -113.5 -87.6 156.0 39.9 -37.7 -88.3 +8IRA C 364 PRO H . 3 > . . S + . . . . ? 0.824 114.1 63.0 -57.1 -32.0 36.8 -40.0 -88.6 +8IRA C 365 TRP H . 3 > . . S + . . . . ? 0.813 102.5 50.6 -66.2 -28.3 38.5 -42.8 -86.6 +8IRA C 366 GLN H . < > . . S + . . . . ? 0.860 109.4 49.6 -73.2 -40.6 38.6 -40.4 -83.6 +8IRA C 367 GLU H . . X . . S + . . . . ? 0.916 113.1 48.1 -62.2 -44.0 34.9 -39.7 -84.0 +8IRA C 368 ARG H . . X . . S + . . . . ? 0.951 113.0 47.0 -57.0 -54.4 34.2 -43.4 -84.2 +8IRA C 369 ARG H . . X . . S + . . . . ? 0.891 112.3 49.2 -56.9 -46.5 36.4 -44.2 -81.1 +8IRA C 370 ALA H . . X . . S + . . . . ? 0.877 112.3 48.0 -63.0 -40.3 34.8 -41.4 -79.0 +8IRA C 371 ALA H . . X . . S + . . . . ? 0.897 113.0 48.9 -67.1 -41.8 31.3 -42.5 -79.9 +8IRA C 372 GLU H . . < . . S + . . . . ? 0.916 115.9 42.6 -60.1 -46.7 32.1 -46.1 -79.1 +8IRA C 373 TYR H . > < . . S + . . . . ? 0.868 111.0 54.1 -75.0 -36.5 33.7 -45.2 -75.8 +8IRA C 374 MET H . > < . . S + . . . . ? 0.860 112.2 46.2 -61.8 -36.2 31.0 -42.8 -74.8 +8IRA C 375 THR T . 3 < . . S + . . . . ? 0.317 112.1 50.5 -93.4 6.4 28.4 -45.5 -75.4 +8IRA C 376 HIS T . < . . . S + . . . . ? -0.135 76.9 156.4 -128.9 36.6 30.4 -48.2 -73.5 +8IRA C 377 ALA . . < . . . . - . . . . ? -0.287 59.4 -102.0 -58.6 144.0 30.9 -46.1 -70.3 +8IRA C 378 PRO S . . . . . S + . . . . ? -0.385 84.5 116.6 -72.5 68.6 31.6 -48.3 -67.2 +8IRA C 379 LEU . . . . . . . + . . . . ? -0.997 32.0 122.7 -135.4 132.0 28.1 -47.9 -65.9 +8IRA C 380 GLY E . . . . . . - F L F G ? -0.960 51.5 -93.5 -179.0 164.9 25.6 -50.7 -65.4 +8IRA C 381 SER E . > . . . . - F L F . ? -0.461 38.8 -106.4 -93.2 164.5 23.4 -52.6 -63.0 +8IRA C 382 LEU T . 3 . . . S + . . . . ? 0.802 123.5 52.9 -60.1 -31.5 24.2 -55.8 -61.1 +8IRA C 383 ASN T . 3 . . . S - . . . . ? 0.203 126.7 -103.9 -88.8 15.9 21.9 -57.8 -63.4 +8IRA C 384 SER . . < . . . . + . . . . ? 0.869 64.8 154.9 64.7 46.4 24.0 -56.3 -66.3 +8IRA C 385 VAL B . . . . . . - AF BZ AV . ? -0.929 43.2 -129.3 -96.2 112.8 21.6 -53.7 -67.7 +8IRA C 386 GLY B . . . . . . + F M G . ? -0.320 60.5 26.1 -67.2 141.3 24.0 -51.2 -69.4 +8IRA C 387 GLY S . . . . . S - . . . . ? -0.576 97.8 -14.2 116.4 -168.5 23.9 -47.5 -68.7 +8IRA C 388 VAL S . > . . . S - . . . . ? -0.187 71.8 -101.7 -64.7 163.1 22.8 -45.1 -66.0 +8IRA C 389 ALA T . 3 . . . S + . . . . ? 0.722 121.9 53.3 -62.7 -23.8 20.6 -46.4 -63.2 +8IRA C 390 THR T . 3 . . . S + . . . . ? 0.372 84.5 115.0 -92.9 1.7 17.5 -44.9 -64.8 +8IRA C 391 GLU P . < . . > . - . . . . ? -0.349 65.4 -118.6 -73.7 153.9 18.0 -46.5 -68.2 +8IRA C 392 ILE P . . . . P . - . . . . ? -0.522 37.7 -85.1 -87.4 159.7 15.6 -49.1 -69.6 +8IRA C 393 ASN S . . . . < S + . . . . ? -0.292 86.0 93.7 -60.0 146.3 16.4 -52.7 -70.4 +8IRA C 394 SER . . . . . . . + . . . . ? -0.225 66.9 72.8 165.7 -53.8 17.9 -53.4 -73.8 +8IRA C 395 VAL . . . . . . . - . . . . ? -0.786 61.6 -154.6 -98.2 114.6 21.7 -53.4 -73.5 +8IRA C 396 ASN B . . . . . . + AF CA AV . ? -0.778 47.8 131.4 -83.8 97.3 23.3 -56.4 -71.7 +8IRA C 397 PHE . . . . . . . + . . . . ? -0.932 29.5 161.3 -160.1 127.4 26.5 -54.7 -70.6 +8IRA C 398 VAL . . . . . . . - . . . . ? -0.941 46.2 -112.7 -136.3 129.7 28.7 -54.2 -67.6 +8IRA C 399 SER . . . > . . . - . . . . ? -0.250 14.2 -130.1 -56.8 138.0 32.3 -53.1 -68.2 +8IRA C 400 PRO H . . > . . S + . . . . ? 0.833 110.3 62.3 -51.7 -33.6 35.1 -55.5 -67.4 +8IRA C 401 ARG H . . > . . S + . . . . ? 0.889 104.0 46.6 -62.3 -40.5 36.7 -52.6 -65.5 +8IRA C 402 SER H . . > . . S + . . . . ? 0.920 112.8 48.8 -66.6 -46.2 33.7 -52.5 -63.2 +8IRA C 403 TRP H . . X . . S + . . . . ? 0.920 116.6 42.7 -56.8 -45.9 33.7 -56.2 -62.6 +8IRA C 404 LEU H . . X . . S + . . . . ? 0.899 116.3 45.8 -72.4 -41.4 37.4 -56.3 -61.9 +8IRA C 405 ALA H . . X . . S + . . . . ? 0.916 115.5 44.7 -69.2 -45.4 37.6 -53.2 -59.7 +8IRA C 406 THR H . . X . . S + . . . . ? 0.934 113.9 49.6 -65.9 -49.2 34.5 -54.0 -57.5 +8IRA C 407 SER H . . X . . S + . . . . ? 0.914 113.7 45.7 -52.5 -48.4 35.5 -57.7 -57.0 +8IRA C 408 HIS H . . X . . S + . . . . ? 0.726 109.2 54.2 -76.6 -20.8 39.1 -56.7 -56.0 +8IRA C 409 PHE H . . X . . S + . . . . ? 0.880 110.3 47.7 -73.4 -40.1 38.0 -54.0 -53.6 +8IRA C 410 VAL H . . X . . S + . . . . ? 0.937 115.7 44.0 -64.0 -49.5 35.7 -56.4 -51.8 +8IRA C 411 LEU H . . X . . S + . . . . ? 0.944 113.8 50.4 -59.8 -47.2 38.5 -59.0 -51.6 +8IRA C 412 ALA H . . X . . S + . . . . ? 0.885 110.2 51.2 -60.0 -40.4 41.1 -56.4 -50.6 +8IRA C 413 PHE H . . X . . S + . . . . ? 0.939 111.2 45.4 -62.2 -50.1 38.8 -55.1 -47.9 +8IRA C 414 PHE H . . X . . S + . . . . ? 0.837 109.4 56.4 -65.6 -32.6 38.2 -58.5 -46.3 +8IRA C 415 PHE H . . X . . S + . . . . ? 0.822 104.9 52.7 -69.5 -29.5 41.9 -59.4 -46.5 +8IRA C 416 LEU H . . X . . S + . . . . ? 0.923 109.5 48.6 -67.0 -44.2 42.6 -56.2 -44.5 +8IRA C 417 VAL H . . X . . S + . . . . ? 0.899 110.0 52.4 -58.9 -43.7 40.1 -57.5 -41.9 +8IRA C 418 GLY H . . X . . S + . . . . ? 0.889 107.1 52.9 -58.1 -41.8 41.8 -60.8 -42.0 +8IRA C 419 HIS H . . X . . S + . . . . ? 0.954 110.7 46.2 -57.2 -52.5 45.1 -59.1 -41.3 +8IRA C 420 LEU H . . X . . S + . . . . ? 0.899 114.0 49.8 -57.1 -43.3 43.7 -57.3 -38.3 +8IRA C 421 TRP H . . X . . S + . . . . ? 0.952 118.4 35.7 -60.6 -55.3 42.1 -60.6 -37.0 +8IRA C 422 HIS H . . X . . S + . . . . ? 0.850 116.6 52.6 -72.3 -35.4 45.2 -62.7 -37.4 +8IRA C 423 ALA H . . X . . S + . . . . ? 0.913 111.8 46.9 -66.7 -42.4 47.7 -60.1 -36.4 +8IRA C 424 GLY H . . X . . S + . . . . ? 0.887 116.2 44.4 -63.0 -40.7 45.8 -59.3 -33.2 +8IRA C 425 ARG H . . X . . S + . . . . ? 0.831 109.3 55.3 -75.2 -36.7 45.5 -63.0 -32.4 +8IRA C 426 ALA H . . X . . S + . . . . ? 0.945 111.1 46.6 -59.2 -47.3 49.2 -63.8 -33.2 +8IRA C 427 ARG H . . X . . S + . . . . ? 0.930 114.7 45.7 -57.6 -50.6 50.2 -61.1 -30.7 +8IRA C 428 ALA H . . X > . S + . . . . ? 0.855 113.2 49.3 -66.1 -37.9 47.8 -62.3 -28.0 +8IRA C 429 ALA H . . < 5 . S + . . . . ? 0.882 109.3 51.2 -69.6 -40.2 48.7 -66.0 -28.5 +8IRA C 430 ALA H . . < 5 . S + . . . . ? 0.846 113.8 44.9 -64.4 -34.9 52.5 -65.3 -28.3 +8IRA C 431 ALA H . . < 5 . S - . . . . ? 0.613 118.7 -118.5 -85.6 -14.6 51.9 -63.3 -25.1 +8IRA C 432 GLY T . . < 5 . S + . . . . ? 0.788 86.1 96.4 88.9 32.3 49.7 -66.1 -23.8 +8IRA C 433 PHE . . > . < . . + . . . . ? 0.018 38.6 113.7 -137.1 33.0 46.2 -64.5 -23.3 +8IRA C 434 GLU T . 3 . . . S + . . . . ? 0.658 80.5 52.4 -77.2 -16.0 44.4 -65.3 -26.6 +8IRA C 435 LYS T . 3 . . . S - . . . . ? 0.399 123.2 -79.5 -99.4 -1.9 42.0 -67.6 -24.6 +8IRA C 436 GLY . . < . . . . - . . . . ? -0.635 59.6 -44.6 130.1 175.6 41.0 -65.0 -22.0 +8IRA C 437 ILE B . . . . . . - AG CB AW . ? -0.652 52.1 -121.3 -82.6 130.6 42.1 -63.3 -18.8 +8IRA C 438 ASP . . > . . . . - . . . . ? -0.599 18.5 -146.6 -68.3 123.3 43.5 -65.5 -16.0 +8IRA C 439 ARG G . > . . . S + . . . . ? 0.857 96.1 48.1 -63.0 -37.6 41.3 -64.9 -13.0 +8IRA C 440 GLU G . 3 . . . S + . . . . ? 0.534 122.6 34.3 -82.2 -6.3 44.1 -65.3 -10.4 +8IRA C 441 SER G . < . . . S + . . . . ? -0.185 72.7 165.7 -143.9 43.7 46.4 -62.9 -12.3 +8IRA C 442 GLU . . X > . . . - . . . . ? -0.519 30.9 -145.0 -68.1 113.0 44.2 -60.3 -13.9 +8IRA C 443 PRO G . > 4 . . S + . . . . ? 0.853 93.2 56.6 -48.0 -45.9 46.6 -57.5 -15.1 +8IRA C 444 VAL G . > 4 . . S + . . . . ? 0.765 97.0 63.2 -63.2 -27.9 44.2 -54.5 -14.4 +8IRA C 445 LEU G . < 4 . . S + . . . . ? 0.663 103.4 50.0 -70.6 -18.2 43.8 -55.5 -10.7 +8IRA C 446 SER G . < < . . S + . . . . ? 0.488 96.6 90.5 -90.6 -9.3 47.5 -54.9 -10.2 +8IRA C 447 MET S . < . . > S - . . . . ? -0.626 86.3 -102.5 -92.3 148.2 47.4 -51.5 -11.8 +8IRA C 448 PRO P . . . . P . - . . . . ? -0.249 45.6 -100.8 -61.5 154.1 46.7 -48.2 -10.0 +8IRA C 449 SER P . . . . < . - . . . . ? -0.505 24.2 -125.3 -77.0 152.3 43.2 -46.8 -10.4 +8IRA C 450 LEU . . . . . . . . . . . . ? 0.585 . . -74.0 -11.3 42.8 -44.0 -12.9 +8IRA C 451 ASP . . . . . . . . . . . . ? 0.221 . . -172.5 . 41.2 -41.7 -10.4 +8IRA D 1 GLU . . . . . . . . . . . . ? . . . . 110.4 -13.7 -74.8 -8.2 +8IRA D 2 ARG . . . . . . . + . . . . ? -0.651 . 154.7 -125.4 69.9 -12.2 -76.8 -11.2 +8IRA D 3 GLY . . > > . . . - . . . . ? -0.209 63.8 -76.8 -86.2 -176.0 -14.7 -76.0 -13.9 +8IRA D 4 TRP H . 3 > . . S + . . . . ? 0.775 128.1 59.5 -54.9 -32.7 -14.3 -76.1 -17.7 +8IRA D 5 PHE H . 3 > . . S + . . . . ? 0.910 108.4 42.5 -63.4 -46.6 -12.5 -72.7 -17.6 +8IRA D 6 ASP H . < > . . S + . . . . ? 0.877 113.7 51.8 -70.3 -39.0 -9.7 -74.0 -15.3 +8IRA D 7 ILE H . . X . . S + . . . . ? 0.887 111.4 48.2 -59.7 -42.3 -9.4 -77.2 -17.2 +8IRA D 8 LEU H . . X . . S + . . . . ? 0.903 108.7 53.4 -66.9 -41.1 -9.1 -75.2 -20.4 +8IRA D 9 ASP H . . X . . S + . . . . ? 0.890 107.0 53.6 -58.9 -42.4 -6.5 -73.0 -18.8 +8IRA D 10 ASP H . . < . . S + . . . . ? 0.948 111.1 44.3 -55.7 -53.6 -4.5 -76.1 -17.9 +8IRA D 11 TRP H . > < . . S + . . . . ? 0.922 111.7 52.7 -58.9 -46.9 -4.5 -77.4 -21.4 +8IRA D 12 LEU H . 3 < . . S + . . . . ? 0.754 112.2 45.3 -63.6 -27.9 -3.6 -74.0 -22.9 +8IRA D 13 LYS T . 3 < . . S + . . . . ? 0.191 79.4 134.9 -105.7 14.1 -0.6 -73.5 -20.6 +8IRA D 14 ARG B . < . . . . - AA BO AO . ? -0.334 67.3 -109.8 -58.0 144.2 0.9 -77.0 -21.0 +8IRA D 15 ASP . . . . . . . + . . . . ? -0.708 62.5 148.7 -80.7 98.1 4.7 -77.0 -21.5 +8IRA D 16 ARG . . . . . . . - . . . . ? -0.689 65.0 -88.7 -125.3 178.1 4.9 -78.1 -25.1 +8IRA D 17 PHE S . . . . . S + . . . . ? 0.874 123.6 31.0 -58.6 -43.4 7.2 -77.4 -28.0 +8IRA D 18 VAL S . . . . . S - . . . . ? -0.974 90.4 -137.9 -115.7 110.4 5.2 -74.4 -29.0 +8IRA D 19 PHE . . . . . . . - . . . . ? -0.484 21.1 -176.1 -63.4 135.7 3.5 -72.7 -26.0 +8IRA D 20 VAL . . . > . . . + . . . . ? 0.872 12.7 165.6 -98.2 -69.2 -0.1 -71.7 -26.8 +8IRA D 21 GLY T . . 4 . . . - . . . . ? 0.059 62.3 -70.3 70.1 171.0 -1.6 -69.8 -23.9 +8IRA D 22 TRP T . > > . . S + . . . . ? 0.870 135.1 61.9 -59.1 -38.9 -4.8 -67.7 -23.9 +8IRA D 23 SER H . > > . . S + . . . . ? 0.785 91.2 68.6 -56.4 -31.1 -2.8 -65.2 -26.0 +8IRA D 24 GLY H . 3 X . . S + . . . . ? 0.754 84.9 66.7 -65.7 -29.0 -2.5 -67.9 -28.7 +8IRA D 25 ILE H . < 4 . . S + . . . . ? 0.875 115.7 29.2 -58.7 -40.6 -6.2 -67.9 -29.5 +8IRA D 26 LEU H . < X . . S + . . . . ? 0.886 123.1 49.0 -81.0 -46.4 -5.7 -64.4 -30.9 +8IRA D 27 LEU H . . X . . S + . . . . ? 0.930 107.2 49.1 -63.9 -51.8 -2.0 -64.5 -32.0 +8IRA D 28 PHE H . . X . . S + . . . . ? 0.908 112.9 42.0 -67.6 -48.4 -1.9 -67.7 -34.0 +8IRA D 29 PRO H . . > . . S + . . . . ? 0.983 120.0 44.7 -56.6 -54.9 -4.9 -67.3 -36.4 +8IRA D 30 CYS H . . X . . S + . . . . ? 0.865 115.3 45.8 -62.3 -42.3 -4.1 -63.6 -37.0 +8IRA D 31 ALA H . . X . . S + . . . . ? 0.886 114.2 49.8 -66.6 -39.4 -0.4 -64.1 -37.5 +8IRA D 32 TYR H . . X . . S + . . . . ? 0.923 113.4 45.0 -64.6 -45.1 -0.9 -67.1 -39.8 +8IRA D 33 LEU H . . X . . S + . . . . ? 0.859 111.0 53.1 -69.6 -38.0 -3.5 -65.2 -42.0 +8IRA D 34 ALA H . . X . . S + . . . . ? 0.917 116.4 39.3 -61.8 -43.0 -1.4 -62.1 -42.2 +8IRA D 35 LEU H . . X . . S + . . . . ? 0.937 116.9 50.5 -71.5 -47.1 1.6 -64.1 -43.4 +8IRA D 36 GLY H . . X . . S + . . . . ? 0.869 109.2 52.1 -56.7 -42.2 -0.7 -66.4 -45.6 +8IRA D 37 GLY H . . X . . S + . . . . ? 0.905 109.8 48.2 -59.7 -45.9 -2.3 -63.3 -47.2 +8IRA D 38 TRP H . . X . . S + . . . . ? 0.938 115.2 44.5 -61.4 -48.1 1.0 -61.7 -48.1 +8IRA D 39 LEU H . . X . . S + . . . . ? 0.907 115.2 48.0 -65.3 -44.5 2.3 -65.0 -49.6 +8IRA D 40 THR H . . X . . S + . . . . ? 0.944 116.4 44.1 -56.1 -50.7 -0.9 -65.6 -51.4 +8IRA D 41 GLY H . . X . . S + . . . . ? 0.910 112.7 48.2 -66.8 -46.2 -1.1 -62.1 -52.8 +8IRA D 42 THR H . . < . . S + . . . . ? 0.758 117.7 44.9 -66.7 -23.4 2.6 -61.7 -53.8 +8IRA D 43 THR H . . < . . S + . . . . ? 0.882 134.4 4.6 -84.2 -40.9 2.3 -65.1 -55.6 +8IRA D 44 PHE H . . < . . S + . . . . ? 0.663 101.1 92.7 -121.6 -24.0 -1.0 -64.8 -57.4 +8IRA D 45 VAL . . . < . . . - . . . . ? -0.662 52.3 -150.2 -98.9 136.8 -2.6 -61.3 -57.1 +8IRA D 46 THR . . . . . . . - . . . . ? -0.326 15.1 -153.4 -86.9 169.2 -2.3 -58.3 -59.4 +8IRA D 47 SER B . . > > . . + AH CD AX . ? 0.011 62.6 115.1 -126.0 20.8 -2.5 -54.6 -58.7 +8IRA D 48 TRP H . . > 5 . S + . . . . ? 0.916 77.5 42.3 -53.4 -50.8 -3.7 -53.7 -62.3 +8IRA D 49 TYR H . . 4 5 . S + . . . . ? 0.681 124.0 36.5 -79.7 -15.8 -7.1 -52.4 -61.3 +8IRA D 50 THR H . . 4 5 . S + . . . . ? 0.759 139.5 3.2 -102.0 -33.3 -5.9 -50.4 -58.3 +8IRA D 51 HIS H . . < 5 . S - . . . . ? 0.559 89.6 -111.0 -128.6 -20.5 -2.5 -49.1 -59.4 +8IRA D 52 GLY S . . < < . S + . . . . ? 0.833 78.6 128.1 79.0 36.0 -1.8 -50.1 -63.0 +8IRA D 53 LEU B . . . . . . - AH CE AX . ? -0.985 61.5 -137.3 -132.4 136.8 0.9 -52.4 -61.7 +8IRA D 54 ALA . . . . . . . + . . . . ? -0.678 33.8 163.4 -78.0 145.1 1.9 -56.0 -62.1 +8IRA D 55 SER . . . . . . . + . . . . ? 0.216 37.2 77.8 -157.2 20.8 2.8 -57.3 -58.6 +8IRA D 56 SER S . . > > . S - . . . . ? -0.915 76.8 -116.5 -136.0 160.4 2.9 -61.1 -58.4 +8IRA D 57 TYR T . > 4 5 . S + . . . . ? 0.899 115.4 62.0 -59.1 -39.7 5.2 -64.0 -59.3 +8IRA D 58 LEU T . 3 4 5 . S + . . . . ? 0.843 103.8 47.2 -54.9 -40.0 2.4 -65.1 -61.7 +8IRA D 59 GLU T . 3 4 5 . S - . . . . ? 0.576 129.5 -93.2 -81.5 -10.6 2.7 -61.9 -63.7 +8IRA D 60 GLY T . < < 5 . S + . . . . ? 0.419 78.2 138.5 115.1 0.9 6.5 -62.1 -63.9 +8IRA D 61 CYS . . . . < . . - . . . . ? -0.336 41.4 -138.5 -69.6 159.5 7.6 -60.0 -60.9 +8IRA D 62 ASN . . > > . . . - . . . . ? -0.572 36.9 -81.1 -111.7 178.9 10.5 -61.2 -58.7 +8IRA D 63 PHE T . 3 4 . . S + . . . . ? 0.776 129.1 48.9 -52.0 -33.9 11.0 -61.2 -54.9 +8IRA D 64 LEU T . 3 4 . . S + . . . . ? 0.783 117.5 37.9 -76.0 -30.8 12.0 -57.6 -54.9 +8IRA D 65 THR T . < 4 . . S + . . . . ? 0.555 89.5 100.9 -104.2 -10.4 9.1 -56.3 -57.0 +8IRA D 66 VAL . . . < . . . + . . . . ? -0.396 46.3 160.4 -69.0 152.3 6.1 -58.3 -55.8 +8IRA D 67 ALA . . . . . . . - . . . . ? -0.969 49.7 -122.9 -157.2 161.4 3.7 -56.7 -53.4 +8IRA D 68 VAL B . . . . . . - AI CF AY . ? -0.984 51.7 -150.3 -97.3 105.7 0.2 -56.8 -51.9 +8IRA D 69 SER P . . . . > . - . . . . ? -0.401 13.7 -96.1 -83.0 158.3 -0.6 -53.2 -53.0 +8IRA D 70 THR P . . . . P . - . . . . ? -0.129 49.2 -92.3 -63.2 160.6 -2.9 -50.8 -51.3 +8IRA D 71 PRO P . . . . P . - . . . . ? -0.209 55.1 -78.1 -66.1 169.4 -6.6 -50.4 -52.5 +8IRA D 72 ALA P . > . . < . - . . . . ? -0.324 40.6 -114.2 -65.9 151.9 -7.6 -47.9 -55.1 +8IRA D 73 ASN G . > . . . S + . . . . ? 0.794 112.8 68.0 -58.2 -30.8 -7.9 -44.3 -53.9 +8IRA D 74 SER G . 3 . . . S + . . . . ? 0.649 87.3 67.8 -67.5 -13.8 -11.7 -44.4 -54.6 +8IRA D 75 MET G . X . . . S - . . . . ? 0.494 84.0 -169.8 -78.9 -5.2 -12.1 -46.9 -51.8 +8IRA D 76 GLY T . < . . . . - . . . . ? -0.214 63.7 -28.4 48.5 -131.6 -11.2 -44.2 -49.3 +8IRA D 77 HIS T . 3 . . . S + . . . . ? -0.072 90.1 157.2 -103.1 31.7 -10.7 -45.8 -45.8 +8IRA D 78 SER . . < . . . . - . . . . ? -0.281 47.8 -136.9 -55.5 139.9 -13.1 -48.7 -46.5 +8IRA D 79 LEU . . . . . . . - . . . . ? 0.703 30.5 -146.2 -68.1 -20.3 -12.5 -51.7 -44.3 +8IRA D 80 LEU . . . . . . . - . . . . ? 0.898 21.4 -169.8 50.7 50.6 -13.0 -53.7 -47.5 +8IRA D 81 LEU . . > . . . . - . . . . ? -0.360 30.7 -122.8 -64.3 146.7 -14.7 -56.6 -45.8 +8IRA D 82 LEU T . 3 . . . S + . . . . ? 0.881 116.9 40.7 -58.3 -39.4 -15.1 -59.6 -48.1 +8IRA D 83 TRP T . 3 . . . S + . . . . ? 0.247 98.1 112.8 -92.4 7.9 -18.9 -59.4 -47.3 +8IRA D 84 GLY S . < > . . S - . . . . ? -0.068 86.3 -93.4 -74.8 179.7 -18.9 -55.6 -47.4 +8IRA D 85 PRO T . . 4 . . S + . . . . ? 0.715 117.8 56.4 -73.1 -19.8 -20.7 -53.4 -50.0 +8IRA D 86 GLU T . . 4 . . S + . . . . ? 0.952 123.2 19.6 -74.0 -55.1 -17.7 -53.1 -52.4 +8IRA D 87 ALA T . > 4 . . S - . . . . ? 0.779 84.9 -155.0 -88.1 -32.0 -16.9 -56.8 -53.0 +8IRA D 88 GLN T . 3 < . . S - . . . . ? 0.853 71.3 -52.1 57.8 39.3 -20.3 -58.2 -52.0 +8IRA D 89 GLY T . 3 . . . S + . . . . ? 0.429 101.2 134.4 81.6 0.2 -18.9 -61.6 -51.1 +8IRA D 90 ASP . . < > . . . - . . . . ? -0.763 39.3 -163.9 -85.7 111.1 -17.1 -62.1 -54.4 +8IRA D 91 PHE H . . > . . S + . . . . ? 0.850 86.7 51.2 -61.3 -41.5 -13.6 -63.4 -53.5 +8IRA D 92 THR H . . > . . S + . . . . ? 0.941 112.7 44.6 -63.9 -49.2 -12.1 -62.7 -57.0 +8IRA D 93 ARG H . . > . . S + . . . . ? 0.882 108.9 57.7 -62.4 -41.4 -13.3 -59.1 -57.0 +8IRA D 94 TRP H . . < > . S + . . . . ? 0.852 107.7 48.3 -56.1 -40.5 -12.2 -58.5 -53.4 +8IRA D 95 CYS H . > < 5 . S + . . . . ? 0.938 112.2 47.4 -63.1 -48.7 -8.7 -59.5 -54.6 +8IRA D 96 GLN H . 3 < 5 . S + . . . . ? 0.610 109.4 55.2 -69.9 -16.6 -8.8 -57.1 -57.6 +8IRA D 97 LEU T . 3 < 5 . S - . . . . ? 0.544 122.3 -101.9 -94.6 -8.6 -10.1 -54.3 -55.4 +8IRA D 98 GLY T . X > 5 . S + . . . . ? 0.621 73.6 142.6 97.2 20.4 -7.2 -54.5 -52.9 +8IRA D 99 GLY H . 3 > < . . + . . . . ? 0.804 64.5 66.6 -62.4 -32.7 -9.0 -56.4 -50.1 +8IRA D 100 LEU H . 3 > . . S + . . . . ? 0.802 94.2 61.6 -59.9 -25.7 -6.0 -58.4 -49.3 +8IRA D 101 TRP H . < > . . S + . . . . ? 0.944 108.7 37.6 -65.8 -52.2 -4.3 -55.2 -48.1 +8IRA D 102 THR H . . X . . S + . . . . ? 0.878 114.7 58.2 -66.5 -39.0 -6.8 -54.5 -45.3 +8IRA D 103 PHE H . . X . . S + . . . . ? 0.964 113.3 37.9 -48.7 -57.9 -6.9 -58.2 -44.6 +8IRA D 104 ILE H . . X . . S + . . . . ? 0.943 117.7 49.6 -62.8 -49.7 -3.2 -58.2 -44.0 +8IRA D 105 ALA H . . X . . S + . . . . ? 0.909 116.7 40.1 -58.6 -45.0 -3.0 -54.9 -42.2 +8IRA D 106 LEU H . . X . . S + . . . . ? 0.907 118.5 44.5 -75.8 -42.9 -5.9 -55.6 -39.8 +8IRA D 107 HIS H . . X . . S + . . . . ? 0.914 113.8 53.1 -65.1 -40.9 -5.0 -59.2 -39.0 +8IRA D 108 GLY H . . X . . S + . . . . ? 0.904 107.4 52.0 -56.3 -42.6 -1.4 -58.1 -38.7 +8IRA D 109 ALA H . . X . . S + . . . . ? 0.950 113.5 41.5 -61.1 -51.8 -2.5 -55.5 -36.2 +8IRA D 110 PHE H . . X . . S + . . . . ? 0.827 111.1 58.2 -66.7 -33.5 -4.4 -57.9 -34.0 +8IRA D 111 GLY H . . X . . S + . . . . ? 0.881 105.1 50.4 -58.1 -41.1 -1.5 -60.5 -34.4 +8IRA D 112 LEU H . . X . . S + . . . . ? 0.870 108.6 51.2 -67.1 -39.3 0.9 -57.9 -32.9 +8IRA D 113 ILE H . . X . . S + . . . . ? 0.943 110.5 50.9 -57.2 -49.7 -1.5 -57.4 -30.0 +8IRA D 114 GLY H . . X . . S + . . . . ? 0.885 108.4 50.5 -55.4 -44.5 -1.5 -61.2 -29.6 +8IRA D 115 PHE H . . X . . S + . . . . ? 0.926 111.7 47.4 -63.9 -43.6 2.3 -61.4 -29.6 +8IRA D 116 MET H . . X . . S + . . . . ? 0.875 111.4 50.6 -65.2 -37.1 2.7 -58.7 -27.0 +8IRA D 117 LEU H . . X . . S + . . . . ? 0.873 107.7 55.4 -65.0 -37.9 -0.0 -60.4 -24.9 +8IRA D 118 ARG H . . X . . S + . . . . ? 0.863 105.1 51.8 -57.9 -41.1 2.0 -63.6 -25.3 +8IRA D 119 GLN H . . X . . S + . . . . ? 0.913 112.7 45.4 -63.3 -44.9 5.1 -61.8 -23.9 +8IRA D 120 PHE H . . X . . S + . . . . ? 0.898 113.8 49.9 -61.1 -43.6 3.1 -60.7 -20.9 +8IRA D 121 GLU H . . X . . S + . . . . ? 0.940 113.6 42.5 -65.1 -51.2 1.6 -64.2 -20.4 +8IRA D 122 ILE H . . X . . S + . . . . ? 0.877 112.0 55.4 -64.7 -38.4 4.8 -66.2 -20.6 +8IRA D 123 ALA H . . X > . S + . . . . ? 0.883 107.7 50.2 -59.6 -40.3 6.6 -63.6 -18.4 +8IRA D 124 ARG H . . < 5 . S + . . . . ? 0.860 113.2 44.5 -67.6 -36.7 3.9 -64.1 -15.7 +8IRA D 125 LEU H . . < 5 . S + . . . . ? 0.880 117.9 42.3 -77.7 -39.4 4.1 -67.9 -15.7 +8IRA D 126 VAL H . . < 5 . S - . . . . ? 0.772 111.8 -121.8 -77.0 -27.8 7.9 -68.0 -15.7 +8IRA D 127 GLY T . . < 5 . . + . . . . ? 0.855 62.4 132.2 90.1 40.7 8.1 -65.2 -13.1 +8IRA D 128 VAL . . . . < . . - . . . . ? -0.731 63.2 -90.4 -115.3 167.4 10.2 -62.6 -14.9 +8IRA D 129 ARG . . > . . . . - . . . . ? -0.501 35.9 -122.0 -78.3 144.6 9.7 -58.8 -15.4 +8IRA D 130 PRO T . 3 > . . S + . . . . ? -0.077 70.5 124.6 -82.9 41.7 7.7 -57.8 -18.5 +8IRA D 131 TYR H . 3 > . . . + . . . . ? 0.801 69.5 58.6 -72.7 -27.5 10.4 -55.6 -20.0 +8IRA D 132 ASN H . < > . . S + . . . . ? 0.907 108.0 46.8 -64.7 -40.9 10.5 -57.6 -23.3 +8IRA D 133 ALA H . . > . . S + . . . . ? 0.926 111.7 50.9 -64.5 -45.0 6.8 -56.8 -23.7 +8IRA D 134 ILE H . > < . . S + . . . . ? 0.914 109.1 50.7 -57.2 -45.7 7.4 -53.1 -22.9 +8IRA D 135 ALA H . > < . . S + . . . . ? 0.778 101.1 63.8 -63.1 -27.8 10.2 -52.9 -25.4 +8IRA D 136 PHE H . 3 X . . S + . . . . ? 0.661 81.0 81.3 -75.0 -13.7 7.9 -54.4 -28.0 +8IRA D 137 SER H . < X . . S + . . . . ? 0.759 84.1 62.9 -58.6 -27.2 5.6 -51.4 -27.8 +8IRA D 138 ALA H . < > . . S + . . . . ? 0.957 102.4 45.1 -66.8 -55.7 8.0 -49.6 -30.1 +8IRA D 139 PRO H . . > . . S + . . . . ? 0.878 114.8 51.1 -52.5 -39.0 7.5 -51.9 -33.1 +8IRA D 140 ILE H . . X . . S + . . . . ? 0.948 107.8 51.0 -64.0 -48.7 3.7 -51.7 -32.5 +8IRA D 141 ALA H . . X . . S + . . . . ? 0.879 112.7 47.6 -54.9 -40.8 3.9 -47.9 -32.4 +8IRA D 142 VAL H . . X . . S + . . . . ? 0.959 112.4 47.1 -66.2 -53.8 5.7 -47.9 -35.7 +8IRA D 143 PHE H . . X . . S + . . . . ? 0.927 116.2 45.8 -51.6 -46.8 3.3 -50.4 -37.4 +8IRA D 144 VAL H . . X > . S + . . . . ? 0.884 114.5 45.3 -67.9 -44.0 0.3 -48.4 -36.1 +8IRA D 145 SER I . . < > . S + . . . . ? 0.882 122.9 35.3 -68.2 -37.0 1.5 -44.9 -37.0 +8IRA D 146 VAL I . . < 5 . S + . . . . ? 0.879 125.9 33.9 -87.9 -45.7 2.7 -45.9 -40.5 +8IRA D 147 PHE I . . < 5 . S + . . . . ? 0.633 135.7 13.9 -89.7 -15.8 0.2 -48.5 -41.7 +8IRA D 148 LEU I . . X 5 . S + . . . . ? 0.683 125.2 42.2 -123.3 -58.3 -2.9 -47.1 -40.0 +8IRA D 149 ILE I . . > < . S + . . . . ? 0.937 112.2 55.0 -64.4 -46.3 -2.7 -43.6 -38.7 +8IRA D 150 TYR H . . > < . S + . . . . ? 0.922 113.3 38.3 -56.5 -56.6 -0.8 -42.2 -41.7 +8IRA D 151 PRO H . . 4 . . S + . . . . ? 0.837 111.1 61.1 -62.9 -30.7 -3.3 -43.3 -44.4 +8IRA D 152 LEU H . . < . . S + . . . . ? 0.789 105.7 48.2 -66.5 -26.3 -6.2 -42.4 -42.1 +8IRA D 153 GLY H . . < . . S + . . . . ? 0.760 111.0 61.8 -79.3 -27.1 -5.0 -38.9 -42.1 +8IRA D 154 GLN S . . < . . S - . . . . ? -0.032 107.9 -84.1 -89.0 -166.1 -4.6 -38.9 -45.9 +8IRA D 155 SER S . . . . . S - . . . . ? 0.776 95.7 -25.0 -76.9 -29.2 -7.4 -39.4 -48.5 +8IRA D 156 SER S . > . . . S - . . . . ? -0.969 71.8 -80.6 -169.2 173.0 -7.4 -43.2 -48.5 +8IRA D 157 TRP G . > . . . S + . . . . ? 0.663 107.4 86.4 -60.0 -19.5 -5.6 -46.4 -47.8 +8IRA D 158 PHE G . 3 . . . S + . . . . ? 0.813 86.6 50.7 -53.5 -35.3 -4.0 -46.0 -51.3 +8IRA D 159 PHE G . < . . . S + . . . . ? 0.523 87.8 100.7 -90.2 -5.9 -1.2 -43.8 -49.7 +8IRA D 160 ALA S . < . . > S - . . . . ? -0.171 92.3 -82.0 -57.2 168.0 -0.4 -46.3 -47.0 +8IRA D 161 PRO P . . . . P . - . . . . ? -0.591 42.3 -129.2 -73.3 138.4 2.7 -48.4 -47.7 +8IRA D 162 SER P . . . . < . - . . . . ? -0.611 27.8 -107.0 -80.3 149.7 2.2 -51.5 -49.9 +8IRA D 163 PHE B . . . . . S + AI CG AY . ? -0.610 81.8 89.7 -86.0 81.7 3.5 -54.8 -48.6 +8IRA D 164 GLY S . . > . . S - . . . . ? -0.970 78.1 -111.4 -167.0 162.7 6.6 -55.3 -50.8 +8IRA D 165 VAL H . . > . . S + . . . . ? 0.985 117.1 32.1 -66.8 -61.6 10.3 -54.6 -51.0 +8IRA D 166 ALA H . . > . . S + . . . . ? 0.798 115.9 61.0 -66.3 -28.6 10.4 -52.2 -53.9 +8IRA D 167 ALA H . . > . . S + . . . . ? 0.926 105.3 47.1 -64.5 -45.8 6.9 -50.9 -52.9 +8IRA D 168 ILE H . . X . . S + . . . . ? 0.873 107.3 56.8 -60.0 -38.7 8.4 -49.8 -49.5 +8IRA D 169 PHE H . . X . . S + . . . . ? 0.931 105.2 51.7 -58.9 -42.2 11.4 -48.2 -51.4 +8IRA D 170 ARG H . . X . . S + . . . . ? 0.924 106.6 54.9 -56.4 -42.4 8.8 -46.1 -53.3 +8IRA D 171 PHE H . . X . . S + . . . . ? 0.922 106.0 51.0 -57.3 -47.0 7.3 -45.2 -49.9 +8IRA D 172 LEU H . . X . . S + . . . . ? 0.921 113.4 44.6 -54.2 -47.9 10.7 -43.9 -48.7 +8IRA D 173 LEU H . . X . . S + . . . . ? 0.848 109.8 54.2 -72.4 -36.8 11.2 -41.8 -51.9 +8IRA D 174 PHE H . . X > . S + . . . . ? 0.935 107.2 53.2 -57.9 -45.5 7.6 -40.4 -51.8 +8IRA D 175 PHE H . . X 5 . S + . . . . ? 0.806 110.6 46.3 -63.9 -30.4 8.3 -39.3 -48.2 +8IRA D 176 GLN H . . X 5 . S + . . . . ? 0.961 117.5 42.0 -71.1 -53.6 11.4 -37.4 -49.2 +8IRA D 177 GLY H . . < 5 . S + . . . . ? 0.868 129.3 24.6 -62.9 -44.1 9.9 -35.7 -52.3 +8IRA D 178 PHE H . . < 5 . S + . . . . ? 0.864 135.5 26.5 -93.1 -40.7 6.5 -34.8 -50.7 +8IRA D 179 HIS H . . < < . S - . . . . ? 0.473 85.5 -135.7 -103.3 -6.8 7.2 -34.6 -46.9 +8IRA D 180 ASN . . > < . . . + . . . . ? 0.909 38.1 172.8 46.1 49.7 10.9 -33.7 -46.9 +8IRA D 181 TRP G . > . . . . + . . . . ? 0.654 64.0 67.3 -67.9 -20.9 11.1 -36.3 -44.1 +8IRA D 182 THR G . 3 . . . S + . . . . ? 0.790 99.0 56.4 -65.7 -23.9 14.9 -36.3 -43.8 +8IRA D 183 LEU G . < . . . S + . . . . ? 0.532 83.2 106.2 -82.3 -7.9 14.5 -32.8 -42.4 +8IRA D 184 ASN . . < > . . . - . . . . ? -0.587 62.5 -149.6 -84.1 125.2 12.1 -33.9 -39.7 +8IRA D 185 PRO H . . > . . S + . . . . ? 0.806 97.9 58.4 -65.0 -28.6 13.7 -33.9 -36.1 +8IRA D 186 PHE H . . > . . S + . . . . ? 0.869 108.5 45.6 -66.1 -40.4 11.4 -36.8 -35.0 +8IRA D 187 HIS H . . > . . S + . . . . ? 0.907 110.1 54.6 -62.9 -42.9 12.9 -38.8 -37.9 +8IRA D 188 MET H . . X . . S + . . . . ? 0.914 107.3 50.4 -59.8 -40.1 16.4 -37.7 -36.9 +8IRA D 189 MET H . . X . . S + . . . . ? 0.882 110.1 50.7 -64.1 -38.5 15.8 -38.9 -33.3 +8IRA D 190 GLY H . . X . . S + . . . . ? 0.906 108.4 51.0 -65.8 -42.9 14.7 -42.2 -34.7 +8IRA D 191 VAL H . . X . . S + . . . . ? 0.933 110.2 50.9 -56.4 -46.6 17.8 -42.5 -36.9 +8IRA D 192 ALA H . . X . . S + . . . . ? 0.864 110.6 49.0 -59.9 -40.3 19.8 -41.8 -33.8 +8IRA D 193 GLY H . . X . . S + . . . . ? 0.866 115.4 42.2 -66.8 -39.9 18.0 -44.5 -31.9 +8IRA D 194 VAL H . . X . . S + . . . . ? 0.932 120.3 40.2 -75.7 -48.9 18.4 -47.2 -34.6 +8IRA D 195 LEU H . . X . . S + . . . . ? 0.903 117.2 51.0 -68.0 -39.8 22.0 -46.4 -35.4 +8IRA D 196 GLY H . . X . . S + . . . . ? 0.833 110.0 50.3 -62.6 -36.3 22.8 -45.9 -31.7 +8IRA D 197 GLY H . . X . . S + . . . . ? 0.888 110.0 48.5 -69.2 -42.8 21.2 -49.3 -31.0 +8IRA D 198 ALA H . . X . . S + . . . . ? 0.890 111.4 52.4 -61.7 -40.1 23.2 -51.1 -33.7 +8IRA D 199 LEU H . . X . . S + . . . . ? 0.929 111.3 45.0 -59.2 -50.2 26.3 -49.4 -32.2 +8IRA D 200 LEU H . . X . . S + . . . . ? 0.900 111.3 54.0 -62.5 -43.7 25.5 -50.6 -28.7 +8IRA D 201 CYS H . . X . . S + . . . . ? 0.959 114.5 41.0 -52.1 -55.2 24.7 -54.1 -30.0 +8IRA D 202 ALA H . . X . . S + . . . . ? 0.918 117.4 45.9 -60.3 -47.6 28.1 -54.2 -31.7 +8IRA D 203 ILE H . . X . . S + . . . . ? 0.832 113.5 47.3 -74.0 -34.6 30.2 -52.7 -29.0 +8IRA D 204 HIS H . . X . . S + . . . . ? 0.918 114.5 47.2 -69.2 -45.6 28.7 -54.7 -26.1 +8IRA D 205 GLY H . . X . . S + . . . . ? 0.870 115.4 45.2 -62.5 -41.0 29.0 -58.0 -28.0 +8IRA D 206 ALA H . . X . . S + . . . . ? 0.884 112.9 51.4 -70.6 -39.8 32.6 -57.2 -28.9 +8IRA D 207 THR H . > X . . S + . . . . ? 0.931 111.0 46.4 -64.7 -49.6 33.5 -56.0 -25.4 +8IRA D 208 VAL H . > < . . S + . . . . ? 0.938 112.2 51.8 -55.3 -49.6 32.2 -59.1 -23.7 +8IRA D 209 GLU H . 3 < . . S + . . . . ? 0.653 113.7 43.2 -66.9 -17.3 33.9 -61.4 -26.2 +8IRA D 210 ASN H . < < . . S + . . . . ? 0.374 111.7 51.9 -112.6 3.7 37.3 -59.7 -25.7 +8IRA D 211 THR S . < < . . S + . . . . ? 0.127 80.0 141.6 -119.0 18.6 37.2 -59.4 -21.9 +8IRA D 212 LEU B . . . . . . - AJ CH AZ . ? -0.244 51.8 -123.7 -57.0 140.8 36.4 -63.1 -21.4 +8IRA D 213 PHE B . . . . . . - AG CC AW . ? -0.637 28.2 -111.0 -76.4 145.5 38.0 -64.9 -18.5 +8IRA D 214 GLN . . . . . . . + . . . . ? -0.729 54.0 154.8 -79.5 100.5 40.0 -68.0 -19.4 +8IRA D 215 ASP . . . . . . . + . . . . ? 0.325 61.1 34.3 -111.2 3.0 37.7 -70.7 -17.9 +8IRA D 216 GLY S . . . . . S - . . . . ? -0.916 71.9 -124.4 -147.4 174.3 38.8 -73.5 -20.3 +8IRA D 217 GLU S . . . . . S + . . . . ? 0.601 75.4 102.2 -95.4 -16.6 41.9 -74.8 -22.1 +8IRA D 218 GLY S . . . . . S - . . . . ? -0.286 73.6 -131.2 -74.7 155.1 40.4 -74.8 -25.7 +8IRA D 219 ALA S . . . . . S + . . . . ? 0.741 98.6 76.7 -72.9 -26.4 41.1 -72.2 -28.4 +8IRA D 220 SER S . > . . . S - . . . . ? -0.820 70.0 -167.1 -81.7 112.5 37.3 -72.1 -28.9 +8IRA D 221 THR G . > . . . . + . . . . ? 0.529 69.3 83.3 -82.4 -7.2 36.2 -70.0 -25.9 +8IRA D 222 PHE G . 3 . . . S + . . . . ? 0.855 83.6 58.4 -66.1 -38.0 32.5 -70.8 -26.2 +8IRA D 223 ARG G . < . . . S + . . . . ? 0.752 86.3 80.3 -63.3 -27.3 32.7 -74.2 -24.4 +8IRA D 224 ALA S . < . . . S + . . . . ? -0.251 78.8 86.3 -81.8 51.2 34.1 -72.5 -21.2 +8IRA D 225 PHE . . . . . . . - . . . . ? -0.965 53.3 -166.8 -151.4 134.2 30.6 -71.3 -20.1 +8IRA D 226 ASN . . > . . . . - . . . . ? -0.987 22.6 -137.7 -123.1 124.0 27.9 -73.0 -18.0 +8IRA D 227 PRO T . 3 . . . S + . . . . ? 0.754 104.5 46.9 -50.2 -29.8 24.4 -71.5 -17.8 +8IRA D 228 THR T . 3 . . . S + . . . . ? 0.313 82.2 120.2 -99.6 6.8 24.2 -72.2 -14.1 +8IRA D 229 GLN . . < . . . . - . . . . ? -0.423 56.1 -146.3 -69.1 148.3 27.6 -70.9 -13.1 +8IRA D 230 ALA . . . . . . . + . . . . ? 0.820 69.4 86.9 -83.9 -32.7 27.5 -68.0 -10.6 +8IRA D 231 GLU B . . . . . S - E J E . ? -0.399 85.4 -105.3 -80.6 143.4 30.5 -66.1 -11.8 +8IRA D 232 GLU . . . . . . . - . . . . ? -0.321 23.8 -141.5 -58.5 145.3 30.5 -63.4 -14.6 +8IRA D 233 THR S . . . . . S + . . . . ? 0.605 81.3 36.8 -90.5 -16.0 32.1 -64.9 -17.7 +8IRA D 234 TYR B . . . . . S - AJ CI AZ . ? -0.895 91.4 -99.0 -133.5 163.6 33.9 -61.7 -18.6 +8IRA D 235 SER . . . > . . . - . . . . ? -0.754 25.2 -176.8 -92.6 112.4 35.7 -58.9 -16.7 +8IRA D 236 MET H . . > . . S + . . . . ? 0.809 87.3 56.3 -72.1 -30.6 33.7 -55.8 -16.1 +8IRA D 237 VAL H . . > . . S + . . . . ? 0.914 110.2 42.0 -67.9 -45.8 36.7 -54.2 -14.4 +8IRA D 238 THR H . . > . . S + . . . . ? 0.904 114.2 52.4 -68.9 -42.4 39.0 -54.7 -17.4 +8IRA D 239 ALA H . . X . . S + . . . . ? 0.926 109.5 50.5 -55.2 -46.9 36.3 -53.6 -19.8 +8IRA D 240 ASN H . . X . . S + . . . . ? 0.895 111.3 46.5 -61.6 -44.1 35.7 -50.5 -17.8 +8IRA D 241 ARG H . . X . . S + . . . . ? 0.942 110.6 53.6 -65.2 -47.3 39.4 -49.5 -17.8 +8IRA D 242 PHE H . . X . . S + . . . . ? 0.939 114.6 39.3 -48.1 -58.5 39.8 -50.2 -21.5 +8IRA D 243 TRP H . . X > . S + . . . . ? 0.850 111.8 56.9 -68.6 -37.2 36.9 -47.9 -22.5 +8IRA D 244 SER H . . X 5 . S + . . . . ? 0.888 114.5 39.5 -56.6 -40.1 37.7 -45.2 -19.9 +8IRA D 245 GLN H . . < 5 . S + . . . . ? 0.708 122.6 41.2 -84.8 -24.4 41.2 -44.9 -21.4 +8IRA D 246 ILE H . . < 5 . S + . . . . ? 0.912 135.2 12.6 -83.9 -51.9 40.2 -45.3 -25.0 +8IRA D 247 PHE H . . < 5 . S - . . . . ? 0.621 96.8 -116.6 -107.7 -20.7 37.0 -43.2 -25.1 +8IRA D 248 GLY S . . < < . S + . . . . ? -0.266 90.3 52.2 110.3 -45.0 37.1 -41.2 -21.8 +8IRA D 249 ILE . . . . . . . + . . . . ? -0.848 60.8 176.0 -121.4 161.7 33.9 -42.7 -20.2 +8IRA D 250 ALA . . . . . . . - . . . . ? -0.971 36.8 -91.5 -153.3 160.3 32.8 -46.3 -19.7 +8IRA D 251 PHE . . . . . . . + . . . . ? -0.575 35.0 170.0 -70.4 141.0 29.9 -48.3 -18.1 +8IRA D 252 SER . . . . . . . + . . . . ? 0.470 64.8 66.1 -120.1 -18.9 30.5 -49.3 -14.5 +8IRA D 253 ASN . . . > . . . - . . . . ? -0.930 61.4 -163.8 -113.9 115.9 27.0 -50.6 -13.8 +8IRA D 254 LYS H . . > . . S + . . . . ? 0.743 90.9 52.8 -70.5 -27.4 25.9 -53.7 -15.7 +8IRA D 255 ARG H . . > . . S + . . . . ? 0.943 110.3 47.0 -73.1 -49.3 22.2 -53.1 -14.9 +8IRA D 256 TRP H . . > . . S + . . . . ? 0.915 110.3 56.1 -52.5 -45.4 22.3 -49.6 -16.2 +8IRA D 257 LEU H . . X . . S + . . . . ? 0.944 110.7 41.1 -54.3 -54.5 24.1 -50.9 -19.3 +8IRA D 258 HIS H . . X . . S + . . . . ? 0.795 114.5 52.8 -72.9 -25.0 21.5 -53.4 -20.3 +8IRA D 259 PHE H . . X . . S + . . . . ? 0.891 107.5 52.2 -69.1 -41.4 18.6 -51.0 -19.4 +8IRA D 260 PHE H . . X . . S + . . . . ? 0.859 104.3 56.5 -62.0 -36.8 20.2 -48.4 -21.7 +8IRA D 261 MET H . . < . . S + . . . . ? 0.823 111.2 44.3 -64.6 -33.6 20.4 -51.0 -24.5 +8IRA D 262 LEU H . . X . . S + . . . . ? 0.952 114.7 50.1 -67.5 -52.8 16.6 -51.3 -24.0 +8IRA D 263 PHE H . . X . . S + . . . . ? 0.831 101.4 58.3 -57.9 -46.1 16.0 -47.6 -23.8 +8IRA D 264 VAL H . . X . . S + . . . . ? 0.954 113.0 31.4 -61.2 -61.9 17.9 -46.3 -26.9 +8IRA D 265 PRO H . . > . . S + . . . . ? 0.863 118.9 55.1 -67.4 -33.7 16.2 -48.1 -29.8 +8IRA D 266 VAL H . . X . . S + . . . . ? 0.934 111.4 43.9 -62.0 -46.4 12.8 -48.3 -28.1 +8IRA D 267 THR H . . X . . S + . . . . ? 0.916 111.1 55.5 -65.5 -43.5 12.8 -44.5 -27.6 +8IRA D 268 GLY H . . X . . S + . . . . ? 0.910 108.4 46.3 -54.1 -51.0 14.1 -43.9 -31.1 +8IRA D 269 LEU H . . X . . S + . . . . ? 0.917 111.2 53.6 -60.2 -42.7 11.2 -45.8 -32.8 +8IRA D 270 TRP H . . X . . S + . . . . ? 0.871 108.1 50.0 -57.6 -40.5 8.7 -44.1 -30.6 +8IRA D 271 MET H . . X . . S + . . . . ? 0.869 109.3 50.5 -69.6 -37.8 10.0 -40.7 -31.7 +8IRA D 272 SER H . . X . . S + . . . . ? 0.899 105.4 57.5 -66.9 -39.0 9.8 -41.6 -35.3 +8IRA D 273 ALA H . . X . . S + . . . . ? 0.907 103.8 53.4 -55.3 -42.1 6.2 -42.7 -34.8 +8IRA D 274 ILE H . . X . . S + . . . . ? 0.897 106.1 52.1 -63.4 -42.7 5.3 -39.3 -33.5 +8IRA D 275 GLY H . . X . . S + . . . . ? 0.888 107.8 51.7 -56.9 -43.5 6.7 -37.6 -36.6 +8IRA D 276 VAL H . . X . . S + . . . . ? 0.771 102.3 58.9 -68.5 -29.2 4.7 -39.8 -38.9 +8IRA D 277 VAL H . . X . . S + . . . . ? 0.894 105.9 51.8 -60.9 -37.9 1.5 -38.9 -37.0 +8IRA D 278 GLY H . > < > . S + . . . . ? 0.891 106.2 51.9 -63.3 -41.0 2.4 -35.4 -38.0 +8IRA D 279 LEU H . > < 5 . S + . . . . ? 0.745 92.0 74.2 -72.9 -22.0 2.7 -36.4 -41.7 +8IRA D 280 ALA H . 3 < 5 . S + . . . . ? 0.859 108.2 35.5 -51.5 -33.6 -0.7 -38.0 -41.5 +8IRA D 281 LEU T . < < 5 . S - . . . . ? 0.115 119.3 -109.5 -103.1 13.5 -1.9 -34.4 -41.5 +8IRA D 282 ASN T . < . 5 . . + . . . . ? 0.737 68.4 152.1 53.7 25.9 0.9 -33.1 -43.9 +8IRA D 283 LEU . . . . < . . + . . . . ? -0.577 28.1 166.0 -86.0 77.8 2.2 -31.4 -40.7 +8IRA D 284 ARG B . . . . . . - W BD AH . ? -0.485 55.8 -129.0 -96.4 157.2 5.7 -31.5 -42.1 +8IRA D 285 SER . . . . . . . + . . . . ? -0.707 60.6 141.5 -93.3 73.2 9.1 -30.0 -41.3 +8IRA D 286 TYR . . . . . . . + . . . . ? 0.898 55.7 18.0 -80.7 -45.6 9.3 -29.1 -45.0 +8IRA D 287 ASP . . . . . . . - . . . . ? -0.710 53.5 -136.3 -130.4 164.2 10.9 -25.6 -44.9 +8IRA D 288 PHE . . > > . . . - . . . . ? -0.963 22.9 -154.7 -116.6 109.3 12.9 -23.1 -42.9 +8IRA D 289 ILE H . 3 > . . S + . . . . ? 0.844 90.4 59.1 -56.6 -41.1 11.1 -19.8 -43.6 +8IRA D 290 SER H . 3 > . . S + . . . . ? 0.936 107.3 48.1 -53.1 -45.6 14.3 -17.7 -42.9 +8IRA D 291 GLN H . < > . . S + . . . . ? 0.844 110.9 50.1 -59.3 -41.1 16.0 -19.5 -45.7 +8IRA D 292 GLU H . . X . . S + . . . . ? 0.894 109.2 50.5 -72.2 -39.0 13.2 -19.1 -48.1 +8IRA D 293 ILE H . . X . . S + . . . . ? 0.939 114.3 44.5 -63.1 -48.0 12.9 -15.3 -47.5 +8IRA D 294 ARG H . . X . . S + . . . . ? 0.960 115.7 48.0 -57.9 -49.5 16.6 -14.8 -48.1 +8IRA D 295 ALA H . . < . . S + . . . . ? 0.871 107.4 53.7 -64.4 -43.0 16.6 -17.1 -51.2 +8IRA D 296 ALA H . . < . . S + . . . . ? 0.875 119.4 35.3 -57.0 -40.8 13.6 -15.5 -52.8 +8IRA D 297 GLU H . . < . . S + . . . . ? 0.690 118.8 51.6 -86.3 -24.3 15.2 -12.0 -52.6 +8IRA D 298 ASP . . > < . . . - . . . . ? -0.843 58.7 -171.8 -124.8 92.7 18.8 -13.1 -53.1 +8IRA D 299 PRO T . 3 . . . S + . . . . ? 0.448 85.8 59.8 -67.0 3.6 19.5 -15.2 -56.2 +8IRA D 300 GLU T . 3 . . . S + . . . . ? 0.404 80.3 101.2 -104.2 0.5 23.1 -15.8 -55.1 +8IRA D 301 PHE . . < . . . . + . . . . ? -0.768 46.3 162.2 -90.4 123.5 22.1 -17.5 -51.8 +8IRA D 302 GLU . . . . . . . + . . . . ? -0.993 7.8 166.1 -146.3 130.9 22.4 -21.3 -52.0 +8IRA D 303 THR . . . > . . . - . . . . ? -0.815 53.4 -100.0 -131.7 172.7 22.6 -23.9 -49.3 +8IRA D 304 PHE H . . > . . S + . . . . ? 0.700 122.7 63.1 -67.2 -19.8 22.2 -27.7 -49.2 +8IRA D 305 TYR H . . > . . S + . . . . ? 0.961 106.2 40.9 -67.1 -50.7 18.7 -26.9 -48.0 +8IRA D 306 THR H . . > . . S + . . . . ? 0.875 112.6 56.2 -65.1 -37.4 17.7 -25.2 -51.2 +8IRA D 307 LYS H . . X . . S + . . . . ? 0.902 106.0 50.9 -59.9 -40.7 19.5 -27.8 -53.3 +8IRA D 308 ASN H . . X . . S + . . . . ? 0.807 104.0 56.9 -72.1 -29.5 17.5 -30.6 -51.7 +8IRA D 309 LEU H . . X . . S + . . . . ? 0.877 102.6 55.7 -66.3 -37.4 14.2 -28.9 -52.4 +8IRA D 310 LEU H . . X . . S + . . . . ? 0.903 108.0 48.9 -60.7 -40.8 15.0 -28.8 -56.1 +8IRA D 311 LEU H . . X . . S + . . . . ? 0.896 110.0 51.0 -62.4 -43.3 15.5 -32.6 -55.8 +8IRA D 312 ASN H . . X . . S + . . . . ? 0.911 108.5 51.8 -59.9 -43.5 12.1 -32.9 -54.0 +8IRA D 313 GLU H . . X . . S + . . . . ? 0.852 109.7 50.3 -62.8 -36.2 10.4 -30.8 -56.8 +8IRA D 314 GLY H . . X . . S + . . . . ? 0.919 109.8 50.1 -66.1 -45.5 12.0 -33.2 -59.4 +8IRA D 315 ILE H . . X . . S + . . . . ? 0.937 111.6 48.2 -56.7 -49.7 10.7 -36.2 -57.5 +8IRA D 316 ARG H . . X . . S + . . . . ? 0.918 115.1 42.2 -60.6 -47.8 7.1 -34.9 -57.3 +8IRA D 317 ALA H . . < . . S + . . . . ? 0.841 119.5 42.8 -71.6 -35.2 6.7 -33.8 -60.9 +8IRA D 318 TRP H . . < . . S + . . . . ? 0.752 122.4 35.0 -85.2 -29.1 8.4 -36.9 -62.4 +8IRA D 319 MET H . . X . . S + . . . . ? 0.699 96.9 80.8 -95.2 -19.9 6.8 -39.6 -60.2 +8IRA D 320 ALA H . . X . . S + . . . . ? 0.863 87.4 51.9 -67.8 -41.9 3.2 -38.2 -59.6 +8IRA D 321 PRO H . . 4 . . S + . . . . ? 0.938 119.7 34.7 -57.8 -47.3 1.4 -39.2 -62.8 +8IRA D 322 GLN H . . 4 . . S + . . . . ? 0.774 121.2 48.7 -78.5 -26.7 2.4 -42.9 -62.7 +8IRA D 323 ASP H . . < . . S + . . . . ? 0.720 120.7 33.7 -86.1 -24.9 2.3 -43.1 -58.9 +8IRA D 324 GLN . . > < . . . + . . . . ? -0.633 69.6 163.6 -126.4 66.5 -1.2 -41.4 -58.5 +8IRA D 325 PRO G . > . . . . + . . . . ? 0.797 68.9 66.3 -63.3 -27.7 -3.0 -42.6 -61.6 +8IRA D 326 HIS G . 3 . . . S + . . . . ? 0.632 92.4 63.3 -66.0 -18.6 -6.5 -41.7 -60.2 +8IRA D 327 GLU G . < . . . S - . . . . ? 0.575 96.1 -142.1 -79.6 -13.4 -5.5 -38.1 -60.4 +8IRA D 328 ASN . . < . . . . - . . . . ? 0.865 26.2 -171.9 50.8 42.3 -5.1 -38.2 -64.1 +8IRA D 329 PHE . . . . . . . - . . . . ? -0.468 10.7 -173.6 -64.2 127.9 -2.1 -35.9 -64.1 +8IRA D 330 VAL . . . . . . . + . . . . ? -0.942 4.4 179.3 -121.3 105.7 -1.1 -34.9 -67.6 +8IRA D 331 PHE . . . . . . . - . . . . ? -0.911 21.8 -140.2 -106.4 104.4 2.2 -32.9 -67.4 +8IRA D 332 PRO . . > > . . . - . . . . ? -0.216 28.6 -105.2 -57.0 155.5 3.4 -31.9 -70.9 +8IRA D 333 GLU G . > 4 . . S + . . . . ? 0.898 117.2 62.2 -47.7 -46.4 7.1 -32.1 -71.5 +8IRA D 334 GLU G . 3 4 . . S + . . . . ? 0.528 101.3 50.3 -64.9 -11.6 7.5 -28.3 -71.3 +8IRA D 335 VAL G . < 4 . . S + . . . . ? 0.553 81.9 108.0 -100.1 -16.1 6.3 -28.1 -67.7 +8IRA D 336 LEU S . < < . . S - . . . . ? -0.489 75.8 -121.1 -62.9 127.1 8.6 -30.8 -66.3 +8IRA D 337 PRO . . . . . . . + . . . . ? -0.621 45.4 161.9 -70.8 126.8 11.4 -29.2 -64.1 +8IRA D 338 ARG . . . . . . . - . . . . ? -0.994 33.7 -130.0 -144.4 143.9 14.8 -30.1 -65.5 +8IRA D 339 GLY . . . . . . . - . . . . ? -0.100 58.4 -57.9 -72.6 -175.4 18.3 -28.8 -65.2 +8IRA D 340 ASN S . . . . . S - . . . . ? -0.417 115.2 -8.7 -67.8 139.5 20.5 -28.1 -68.2 +8IRA D 341 ALA . . . . . . . . . . . . ? -0.192 . . 76.0 -49.7 21.1 -31.0 -70.6 +8IRA D 342 LEU . . . . . . . . . . . . ? 0.639 . . -75.5 . 19.6 -33.8 -68.5 +8IRA E 1 THR . . . . . . . . . . . . ? . . . . 148.2 12.4 -81.9 -23.4 +8IRA E 2 THR . . . . . . . - . . . . ? 0.534 . -100.0 -99.4 -11.4 8.7 -81.2 -23.9 +8IRA E 3 GLY S . . . . . S + . . . . ? 0.141 83.5 118.4 114.2 -18.6 7.6 -84.8 -24.6 +8IRA E 4 GLU S . . . . > S - . . . . ? -0.395 76.0 -92.4 -73.8 157.9 7.3 -84.7 -28.4 +8IRA E 5 ARG P . . . . P . - . . . . ? -0.488 49.9 -100.0 -70.3 136.3 9.5 -87.0 -30.5 +8IRA E 6 PRO P . . > . < . - . . . . ? -0.304 21.8 -131.7 -58.3 139.8 12.8 -85.4 -31.6 +8IRA E 7 PHE H . . > . . S + . . . . ? 0.887 106.6 56.6 -57.9 -41.4 12.9 -84.1 -35.2 +8IRA E 8 SER H . . > . . S + . . . . ? 0.842 107.3 48.8 -62.3 -37.0 16.2 -85.8 -36.0 +8IRA E 9 ASP H . . 4 . . S + . . . . ? 0.904 114.9 46.2 -63.7 -43.5 14.7 -89.2 -35.0 +8IRA E 10 ILE H . > < . . S + . . . . ? 0.954 111.2 47.3 -67.3 -52.8 11.7 -88.6 -37.2 +8IRA E 11 ILE H . 3 < . . S + . . . . ? 0.511 112.2 51.7 -75.7 -6.0 13.4 -87.3 -40.4 +8IRA E 12 THR T . 3 < . . S + . . . . ? 0.303 89.5 103.0 -104.9 4.1 15.9 -90.2 -40.3 +8IRA E 13 SER S . < > . . S - . . . . ? -0.608 72.1 -136.2 -84.6 147.9 13.2 -92.8 -39.9 +8IRA E 14 VAL H . . > . . S + . . . . ? 0.880 103.8 58.6 -68.3 -38.7 12.2 -94.9 -43.0 +8IRA E 15 ARG H . . > . . S + . . . . ? 0.891 102.1 54.6 -61.3 -41.4 8.5 -94.6 -42.2 +8IRA E 16 TYR H . . > . . S + . . . . ? 0.940 112.4 42.6 -53.3 -51.1 8.8 -90.8 -42.4 +8IRA E 17 TRP H . . X . . S + . . . . ? 0.797 108.2 58.3 -74.0 -30.8 10.3 -91.0 -45.9 +8IRA E 18 VAL H . . < . . S + . . . . ? 0.973 116.3 36.6 -56.2 -53.8 7.8 -93.7 -47.1 +8IRA E 19 ILE H . > X . . S + . . . . ? 0.943 122.1 43.3 -59.5 -53.1 5.0 -91.3 -46.3 +8IRA E 20 HIS H . 3 X . . S + . . . . ? 0.638 98.3 68.5 -84.8 -16.4 6.7 -88.0 -47.3 +8IRA E 21 SER H . 3 < . . S + . . . . ? 0.681 112.8 37.2 -72.0 -19.2 8.3 -89.2 -50.6 +8IRA E 22 ILE H . < > . . S + . . . . ? 0.858 117.6 47.0 -88.3 -52.9 4.7 -89.4 -51.8 +8IRA E 23 THR H . . X . . S + . . . . ? 0.809 108.0 55.1 -66.4 -33.5 3.1 -86.4 -50.1 +8IRA E 24 ILE H . . X . . S + . . . . ? 0.974 113.6 38.8 -66.6 -55.2 5.8 -83.8 -51.0 +8IRA E 25 PRO H . . > . . S + . . . . ? 0.892 112.2 59.5 -58.5 -39.0 5.7 -84.4 -54.8 +8IRA E 26 ALA H . . X . . S + . . . . ? 0.909 109.4 42.2 -56.0 -44.4 1.9 -84.7 -54.7 +8IRA E 27 LEU H . . X . . S + . . . . ? 0.906 114.2 51.9 -67.6 -43.6 1.6 -81.2 -53.3 +8IRA E 28 PHE H . . X . . S + . . . . ? 0.946 112.2 45.2 -58.3 -51.0 4.3 -79.9 -55.6 +8IRA E 29 ILE H . . X . . S + . . . . ? 0.862 110.6 54.9 -61.1 -37.7 2.5 -81.3 -58.6 +8IRA E 30 ALA H . . X . . S + . . . . ? 0.897 110.0 46.5 -62.6 -41.5 -0.8 -80.0 -57.3 +8IRA E 31 GLY H . . X . . S + . . . . ? 0.875 110.8 52.9 -65.1 -40.7 0.7 -76.5 -57.1 +8IRA E 32 TRP H . > X . . S + . . . . ? 0.954 110.4 46.6 -58.0 -52.8 2.1 -76.9 -60.6 +8IRA E 33 LEU H . 3 X . . S + . . . . ? 0.822 100.8 66.5 -62.6 -33.8 -1.3 -77.9 -62.1 +8IRA E 34 PHE H . 3 < . . S + . . . . ? 0.846 115.4 30.1 -53.5 -37.6 -3.0 -75.0 -60.3 +8IRA E 35 VAL H . X < . . S + . . . . ? 0.916 118.4 52.9 -82.4 -54.1 -1.0 -72.7 -62.5 +8IRA E 36 SER H . 3 < . . S + . . . . ? 0.726 106.4 53.1 -66.9 -24.4 -0.6 -74.8 -65.7 +8IRA E 37 THR T . 3 < . . S - . . . . ? 0.598 114.2 -119.4 -78.7 -11.3 -4.3 -75.4 -66.0 +8IRA E 38 GLY S . X > . . S + . . . . ? 0.393 78.6 125.9 88.9 -0.1 -4.8 -71.7 -65.9 +8IRA E 39 LEU H . > > . . . + . . . . ? 0.873 62.6 62.9 -61.5 -39.8 -7.0 -72.0 -62.7 +8IRA E 40 ALA H . 3 > . . S + . . . . ? 0.862 100.3 54.1 -53.8 -42.1 -4.8 -69.5 -60.7 +8IRA E 41 TYR H . < > > . S + . . . . ? 0.898 111.9 43.6 -56.0 -45.1 -5.7 -66.7 -63.1 +8IRA E 42 ASP H . < < 5 . S + . . . . ? 0.858 111.0 52.3 -78.1 -35.3 -9.5 -67.3 -62.7 +8IRA E 43 VAL H . . < 5 . S + . . . . ? 0.935 122.4 29.5 -62.4 -48.5 -9.6 -67.7 -58.9 +8IRA E 44 PHE H . . < 5 . S - . . . . ? 0.698 103.9 -120.8 -92.4 -19.0 -7.7 -64.5 -58.2 +8IRA E 45 GLY T . . < 5 . . + . . . . ? 0.728 53.6 159.1 85.8 26.7 -8.7 -62.4 -61.2 +8IRA E 46 THR P . . . < > . - . . . . ? -0.651 42.6 -112.0 -88.4 130.2 -5.2 -61.8 -62.4 +8IRA E 47 PRO P . . . . P . - . . . . ? -0.337 21.4 -132.4 -62.1 137.3 -4.7 -60.8 -66.1 +8IRA E 48 ARG P . > . . < . - . . . . ? -0.477 41.8 -92.9 -71.7 159.8 -3.1 -63.3 -68.5 +8IRA E 49 PRO T . 3 . . . S + . . . . ? 0.731 128.9 48.8 -51.0 -23.9 -0.3 -61.7 -70.7 +8IRA E 50 ASP T . 3 . . . S + . . . . ? 0.273 104.2 61.0 -99.5 11.2 -2.9 -61.0 -73.4 +8IRA E 51 SER S . < . . . S + . . . . ? 0.130 70.4 89.5 -130.8 24.9 -5.6 -59.4 -71.1 +8IRA E 52 TYR S . . . . . S + . . . . ? 0.834 101.4 15.1 -75.8 -39.7 -4.0 -56.3 -69.6 +8IRA E 53 TYR S . . . . . S - . . . . ? -0.939 77.8 -110.3 -133.2 154.1 -5.2 -54.2 -72.5 +8IRA E 54 ALA . . . . . . . - . . . . ? -0.478 54.2 -94.8 -71.7 159.3 -7.6 -54.2 -75.4 +8IRA E 55 GLN S . . . . . S + . . . . ? 0.779 117.7 21.7 -51.1 -38.8 -5.8 -54.4 -78.7 +8IRA E 56 GLU S . . . . . S + . . . . ? 0.569 101.4 94.1 -111.9 -13.2 -5.8 -50.6 -79.4 +8IRA E 57 GLN . . . . . . . - . . . . ? -0.378 40.9 -175.8 -78.7 160.0 -6.2 -48.9 -76.0 +8IRA E 58 ARG . . . . . . . + . . . . ? 0.186 51.0 107.4 -135.9 14.9 -3.4 -47.7 -73.7 +8IRA E 59 SER S . . . . . S - . . . . ? -0.723 71.8 -115.8 -92.8 145.5 -5.4 -46.5 -70.7 +8IRA E 60 ILE . . . . . . . - . . . . ? -0.550 20.6 -123.1 -74.1 138.5 -5.4 -48.5 -67.4 +8IRA E 61 PRO . . . . . . . + . . . . ? -0.482 48.2 177.9 -76.6 70.7 -8.7 -50.1 -66.3 +8IRA E 62 LEU . . . . . . . - . . . . ? -0.611 32.1 -120.4 -83.3 133.5 -8.5 -48.2 -63.0 +8IRA E 63 VAL . . . . . . . + . . . . ? -0.595 36.5 169.5 -67.8 126.2 -11.3 -48.5 -60.5 +8IRA E 64 THR . . . . . . . + . . . . ? 0.385 52.9 62.1 -125.2 0.4 -12.7 -45.0 -59.8 +8IRA E 65 ASP . . . . . . . - . . . . ? -0.993 63.1 -147.9 -131.9 140.6 -15.9 -45.6 -57.8 +8IRA E 66 ARG S . > . . . S + . . . . ? 0.969 94.4 28.8 -69.9 -57.5 -16.3 -47.2 -54.4 +8IRA E 67 PHE T . 3 . . . S + . . . . ? 0.683 125.3 44.8 -88.5 -17.6 -19.7 -48.9 -54.5 +8IRA E 68 GLU T . 3 > . . S + . . . . ? 0.159 80.2 107.8 -104.6 14.3 -19.8 -49.6 -58.2 +8IRA E 69 ALA H . < > . . S + . . . . ? 0.853 74.4 56.3 -60.2 -39.0 -16.2 -50.9 -58.4 +8IRA E 70 LYS H . . > . . S + . . . . ? 0.927 110.8 44.1 -60.0 -44.9 -17.4 -54.5 -58.8 +8IRA E 71 GLN H . . > . . S + . . . . ? 0.880 108.7 57.8 -67.4 -40.5 -19.4 -53.5 -61.9 +8IRA E 72 GLN H . . X . . S + . . . . ? 0.909 106.9 48.2 -53.6 -45.5 -16.6 -51.3 -63.3 +8IRA E 73 VAL H . . X . . S + . . . . ? 0.906 111.5 49.5 -64.6 -42.5 -14.2 -54.3 -63.3 +8IRA E 74 GLU H . . X . . S + . . . . ? 0.898 110.0 52.3 -62.1 -39.9 -16.8 -56.5 -65.0 +8IRA E 75 THR H . . X . . S + . . . . ? 0.919 109.6 48.3 -60.1 -48.3 -17.3 -53.7 -67.6 +8IRA E 76 PHE H . . < . . S + . . . . ? 0.919 109.9 52.3 -57.7 -45.7 -13.6 -53.6 -68.3 +8IRA E 77 LEU H . > < . . S + . . . . ? 0.822 105.7 54.5 -64.3 -35.2 -13.4 -57.4 -68.6 +8IRA E 78 GLU H . > < . . S + . . . . ? 0.911 96.7 67.1 -56.7 -45.0 -16.2 -57.3 -71.2 +8IRA E 79 GLN T . 3 < . . S + . . . . ? 0.258 75.9 83.3 -72.3 14.1 -14.3 -54.8 -73.3 +8IRA E 80 LEU T . < . . . . . . . . . ? 0.262 . . -88.9 9.4 -11.6 -57.5 -74.0 +8IRA E 81 LYS . . < . . . . . . . . . ? -0.087 . . 58.4 . -14.1 -58.5 -76.8 +8IRA F 1 SER . . . . . . . . . . . . ? . . . . -63.3 6.8 -94.4 -26.9 +8IRA F 2 TYR . . . . . . . - . . . . ? -0.660 . -113.5 -99.0 151.5 6.0 -91.0 -28.5 +8IRA F 3 PRO . . . . . . . - . . . . ? -0.375 13.7 -154.7 -69.3 160.3 2.7 -89.5 -29.9 +8IRA F 4 ILE S . . . . . S + . . . . ? 0.822 80.1 54.5 -96.4 -52.5 2.3 -88.8 -33.7 +8IRA F 5 PHE S . . . . . S + . . . . ? -0.795 71.2 145.6 -97.7 100.1 -0.3 -86.1 -33.7 +8IRA F 6 THR . . . > . . . - . . . . ? -0.729 65.7 -98.4 -116.6 176.4 0.6 -83.2 -31.4 +8IRA F 7 VAL H . . > . . S + . . . . ? 0.847 127.1 56.1 -60.2 -38.2 0.1 -79.4 -31.5 +8IRA F 8 ARG H . . > . . S + . . . . ? 0.888 103.7 53.7 -61.9 -41.0 3.7 -79.3 -32.9 +8IRA F 9 TRP H . . > . . S + . . . . ? 0.922 110.9 45.4 -56.2 -47.0 2.6 -81.6 -35.7 +8IRA F 10 VAL H . . X . . S + . . . . ? 0.932 112.4 51.4 -64.7 -46.4 -0.3 -79.3 -36.6 +8IRA F 11 ALA H . . X . . S + . . . . ? 0.899 113.2 44.8 -57.1 -44.2 1.9 -76.2 -36.4 +8IRA F 12 VAL H . > X . . S + . . . . ? 0.932 114.9 47.3 -64.3 -46.9 4.5 -77.8 -38.7 +8IRA F 13 HIS H . 3 X . . S + . . . . ? 0.828 104.3 58.9 -74.2 -28.9 2.0 -79.1 -41.3 +8IRA F 14 THR H . 3 < . . S + . . . . ? 0.773 117.3 34.4 -70.2 -26.6 0.0 -75.8 -41.6 +8IRA F 15 LEU H . < X . . S + . . . . ? 0.861 121.3 47.3 -85.0 -45.1 3.2 -74.0 -42.7 +8IRA F 16 ALA H . . X . . S + . . . . ? 0.864 105.0 56.9 -69.4 -41.3 4.8 -76.9 -44.6 +8IRA F 17 VAL H . . X . . S + . . . . ? 0.958 112.2 39.9 -60.2 -56.8 1.7 -78.1 -46.7 +8IRA F 18 PRO H . . > . . S + . . . . ? 0.890 110.0 61.8 -57.7 -39.5 1.0 -74.7 -48.4 +8IRA F 19 THR H . . X . . S + . . . . ? 0.926 106.3 43.6 -54.8 -49.1 4.8 -74.0 -48.8 +8IRA F 20 ILE H . . X . . S + . . . . ? 0.910 113.3 51.5 -66.6 -43.1 5.3 -77.0 -51.1 +8IRA F 21 PHE H . . X . . S + . . . . ? 0.923 112.3 47.3 -54.8 -46.9 2.1 -76.3 -53.0 +8IRA F 22 PHE H . . X . . S + . . . . ? 0.844 108.2 54.2 -66.0 -37.8 3.3 -72.7 -53.6 +8IRA F 23 LEU H . . X . . S + . . . . ? 0.865 108.4 50.2 -64.0 -38.3 6.8 -73.8 -54.6 +8IRA F 24 GLY H . . X . . S + . . . . ? 0.881 111.3 48.9 -63.5 -41.7 5.2 -76.1 -57.3 +8IRA F 25 ALA H . . X . . S + . . . . ? 0.908 113.1 45.8 -63.6 -45.3 3.1 -73.2 -58.5 +8IRA F 26 ILE H . . X . . S + . . . . ? 0.893 109.6 55.1 -70.0 -38.6 6.1 -70.8 -58.7 +8IRA F 27 ALA H . > < . . S + . . . . ? 0.941 107.4 50.8 -53.9 -48.7 8.2 -73.5 -60.4 +8IRA F 28 ALA H . > < . . S + . . . . ? 0.837 100.8 63.5 -58.5 -37.4 5.5 -73.8 -63.1 +8IRA F 29 MET H . > < . . S + . . . . ? 0.719 85.7 73.3 -62.4 -24.2 5.4 -70.0 -63.6 +8IRA F 30 GLN T . < < . . S + . . . . ? 0.645 96.2 51.4 -69.0 -13.3 9.0 -70.0 -64.9 +8IRA F 31 PHE T . < . . . S + . . . . ? 0.326 81.3 117.0 -103.7 6.5 7.8 -71.7 -68.1 +8IRA F 32 ILE . . < . . . . - . . . . ? -0.606 47.7 -162.3 -77.2 132.4 5.1 -69.1 -68.9 +8IRA F 33 GLN . . . . . . . . . . . . ? -0.802 . . -108.3 153.6 5.7 -67.1 -72.1 +8IRA F 34 ARG . . . . . . . . . . . . ? 0.614 . . -85.0 . 4.0 -63.9 -73.2 +8IRA G 1 ALA . . . . . . . . . . . . ? . . . . 170.7 -6.6 -40.1 12.6 +8IRA G 2 ARG B . . . . . . - R AT AC . ? -0.833 . -147.2 -103.8 125.4 -8.8 -37.0 12.7 +8IRA G 3 ARG . . . . . . . - . . . . ? -0.671 18.9 -179.9 -86.8 143.8 -12.6 -37.3 12.8 +8IRA G 4 THR . . . > . . . - . . . . ? -0.913 40.8 -110.7 -133.9 164.2 -14.8 -34.6 11.1 +8IRA G 5 TRP H . . > . . S + . . . . ? 0.955 121.1 43.6 -57.8 -51.0 -18.5 -34.1 10.7 +8IRA G 6 LEU H . . > . . S + . . . . ? 0.893 110.9 55.2 -66.6 -40.8 -18.4 -34.9 7.0 +8IRA G 7 GLY H . . > . . S + . . . . ? 0.886 106.7 50.9 -54.1 -43.5 -16.0 -37.8 7.5 +8IRA G 8 ASP H . . < . . S + . . . . ? 0.879 110.7 49.2 -64.3 -39.7 -18.5 -39.4 10.0 +8IRA G 9 ILE H . . < . . S + . . . . ? 0.912 116.1 41.4 -62.4 -46.7 -21.3 -39.0 7.4 +8IRA G 10 LEU H . > < . . S + . . . . ? 0.601 86.5 101.7 -80.7 -9.7 -19.2 -40.5 4.6 +8IRA G 11 ARG G . > < . . S + . . . . ? 0.817 76.5 53.3 -45.0 -50.8 -17.8 -43.3 6.8 +8IRA G 12 PRO G . > . . . S + . . . . ? 0.848 100.3 63.0 -56.7 -33.3 -20.1 -46.2 5.5 +8IRA G 13 LEU G . < . . . S + . . . . ? 0.539 110.5 38.0 -73.0 -8.0 -19.2 -45.4 1.9 +8IRA G 14 ASN G . < . . . S + . . . . ? -0.293 93.1 91.4 -133.3 52.3 -15.5 -46.4 2.6 +8IRA G 15 SER . . < . . . . + . . . . ? 0.401 67.6 68.8 -124.5 -1.4 -16.0 -49.3 4.9 +8IRA G 16 GLU . . > . . . . + . . . . ? -0.053 61.3 164.5 -114.6 33.8 -16.1 -52.4 2.7 +8IRA G 17 TYR T . 3 . . . S + . . . . ? -0.239 72.0 5.4 -48.0 128.6 -12.5 -52.5 1.5 +8IRA G 18 GLY T . 3 . . . S + . . . . ? 0.389 87.7 146.6 82.5 -2.1 -11.7 -55.9 0.0 +8IRA G 19 LYS . . < . . . . + . . . . ? -0.550 24.4 179.1 -77.1 128.2 -15.2 -57.3 0.3 +8IRA G 20 VAL . . . . . . . - . . . . ? -0.845 31.8 -115.9 -126.5 160.5 -16.0 -59.7 -2.6 +8IRA G 21 ALA B . . . . . . - U AZ AF . ? -0.746 52.2 -91.7 -86.8 144.6 -18.7 -61.9 -4.0 +8IRA G 22 PRO S . > . . . S - . . . . ? -0.264 77.0 -34.8 -60.9 140.6 -17.9 -65.7 -4.0 +8IRA G 23 GLY T . 3 . . . S - . . . . ? -0.191 123.4 -12.0 60.9 -131.3 -16.3 -67.2 -7.1 +8IRA G 24 TRP T . > . . . S + . . . . ? 0.562 80.4 172.9 -83.7 -12.9 -17.4 -65.9 -10.6 +8IRA G 25 GLY T . < . . . S - . . . . ? -0.063 70.2 -9.4 41.9 -126.3 -20.3 -63.9 -9.3 +8IRA G 26 THR T . 3 > . . S + . . . . ? 0.092 97.9 117.0 -89.6 21.6 -21.9 -61.8 -12.1 +8IRA G 27 THR H . < > . . S + . . . . ? 0.884 73.1 53.5 -61.5 -41.3 -19.0 -62.5 -14.6 +8IRA G 28 PRO H . . > . . S + . . . . ? 0.954 111.2 46.5 -58.2 -47.0 -21.3 -64.3 -17.1 +8IRA G 29 LEU H . . > . . S + . . . . ? 0.929 110.5 52.7 -59.1 -46.3 -23.7 -61.4 -17.1 +8IRA G 30 MET H . . X . . S + . . . . ? 0.903 105.9 55.7 -54.6 -43.1 -20.7 -59.0 -17.5 +8IRA G 31 ALA H . . X . . S + . . . . ? 0.878 104.9 51.9 -56.7 -44.6 -19.6 -61.1 -20.5 +8IRA G 32 VAL H . . X . . S + . . . . ? 0.945 109.9 47.6 -57.3 -53.0 -23.0 -60.6 -22.2 +8IRA G 33 PHE H . . X . . S + . . . . ? 0.856 110.8 52.4 -60.8 -37.3 -22.9 -56.8 -21.9 +8IRA G 34 MET H . . X . . S + . . . . ? 0.905 110.7 48.7 -64.6 -41.8 -19.3 -56.8 -23.2 +8IRA G 35 GLY H . . X . . S + . . . . ? 0.959 112.0 46.7 -58.8 -55.5 -20.5 -58.8 -26.2 +8IRA G 36 LEU H . . X . . S + . . . . ? 0.868 111.5 53.9 -52.6 -39.8 -23.4 -56.5 -26.9 +8IRA G 37 PHE H . . X . . S + . . . . ? 0.862 105.1 53.2 -68.8 -36.0 -21.1 -53.5 -26.5 +8IRA G 38 LEU H . . X . . S + . . . . ? 0.938 109.2 48.5 -61.2 -47.8 -18.7 -54.9 -29.1 +8IRA G 39 VAL H . . X . . S + . . . . ? 0.895 110.2 53.0 -60.2 -40.8 -21.5 -55.3 -31.6 +8IRA G 40 PHE H . . X . . S + . . . . ? 0.951 109.8 46.8 -59.1 -49.8 -22.6 -51.7 -30.9 +8IRA G 41 LEU H . . X . . S + . . . . ? 0.880 111.0 53.1 -61.2 -38.5 -19.1 -50.4 -31.5 +8IRA G 42 LEU H . . X . . S + . . . . ? 0.904 109.7 49.0 -59.9 -44.1 -18.9 -52.4 -34.7 +8IRA G 43 ILE H . . X . . S + . . . . ? 0.953 112.8 44.1 -61.1 -54.4 -22.2 -50.9 -35.9 +8IRA G 44 ILE H . . X . . S + . . . . ? 0.798 115.4 50.9 -66.9 -28.2 -21.4 -47.3 -35.3 +8IRA G 45 LEU H . . X . . S + . . . . ? 0.911 110.4 47.0 -70.1 -48.2 -17.9 -47.8 -36.8 +8IRA G 46 GLU H . . < > . S + . . . . ? 0.746 111.1 53.4 -72.4 -20.8 -19.2 -49.4 -39.9 +8IRA G 47 ILE H . > < 5 . S + . . . . ? 0.942 110.7 45.3 -71.7 -54.0 -21.8 -46.6 -40.3 +8IRA G 48 TYR H . 3 < 5 . S + . . . . ? 0.879 116.3 49.2 -52.0 -36.4 -19.1 -44.0 -40.1 +8IRA G 49 ASN T . 3 < 5 . S - . . . . ? 0.564 107.5 -124.2 -80.6 -13.2 -17.1 -46.0 -42.5 +8IRA G 50 SER T . < . 5 . S + . . . . ? 0.722 84.2 112.8 64.8 24.1 -19.8 -46.6 -45.1 +8IRA G 51 THR S . . . < . S + . . . . ? 0.720 79.4 45.9 -85.0 -32.1 -19.4 -50.4 -44.8 +8IRA G 52 LEU S . . . . . S - . . . . ? -0.976 77.9 -173.4 -112.1 121.1 -22.8 -50.5 -43.2 +8IRA G 53 ILE . . . . . . . - . . . . ? -0.977 2.4 -170.2 -121.7 119.2 -25.4 -48.4 -45.2 +8IRA G 54 LEU . . > . . . . - . . . . ? -0.789 32.8 -94.6 -110.7 149.5 -28.9 -47.9 -43.8 +8IRA G 55 ASP T . 3 . . . S + . . . . ? -0.411 110.6 7.6 -61.6 131.6 -32.0 -46.4 -45.4 +8IRA G 56 GLY T . 3 . . . S + . . . . ? 0.552 100.3 113.3 72.7 9.4 -32.4 -42.7 -44.5 +8IRA G 57 VAL . . < . . . . + . . . . ? -0.845 42.4 179.4 -116.0 93.5 -28.9 -42.6 -42.9 +8IRA G 58 ASN . . . . . . . - . . . . ? -0.841 19.1 -151.5 -101.7 103.5 -26.8 -40.4 -45.1 +8IRA G 59 VAL . . . . . . . + . . . . ? -0.553 59.6 93.3 -81.0 83.9 -23.3 -40.1 -43.6 +8IRA G 60 SER S . > . . . S - . . . . ? -0.968 90.8 -101.2 -164.7 159.1 -22.5 -36.7 -44.9 +8IRA G 61 TRP G . > . . . S + . . . . ? 0.796 111.6 80.8 -57.0 -29.6 -22.6 -33.0 -44.0 +8IRA G 62 LYS G . 3 . . . S + . . . . ? 0.396 76.2 69.4 -67.0 6.4 -25.7 -33.0 -46.3 +8IRA G 63 ALA G . < . . . . . . . . . ? 0.416 . . -91.4 -2.5 -27.6 -34.3 -43.3 +8IRA G 64 LEU . . < . . . . . . . . . ? -0.769 . . 93.8 . -27.1 -30.8 -41.8 +8IRA H 1 FME . . . > . . . . . . . . ? . . . . -40.4 53.3 -20.7 -48.3 +8IRA H 2 GLU H . . > . . . + . . . . ? 0.928 . 47.5 -65.8 -41.8 56.8 -22.0 -48.7 +8IRA H 3 THR H . . > . . S + . . . . ? 0.930 112.2 49.6 -59.8 -48.5 57.5 -21.6 -45.0 +8IRA H 4 LEU H . . > . . S + . . . . ? 0.920 110.6 50.9 -55.3 -48.2 54.2 -23.3 -44.1 +8IRA H 5 LYS H . . X . . S + . . . . ? 0.947 111.1 46.4 -56.3 -53.5 55.0 -26.2 -46.4 +8IRA H 6 ILE H . . X . . S + . . . . ? 0.917 111.9 52.8 -56.4 -47.5 58.4 -26.8 -44.9 +8IRA H 7 THR H . . X . . S + . . . . ? 0.939 110.8 45.2 -52.5 -52.3 57.0 -26.5 -41.4 +8IRA H 8 VAL H . . X . . S + . . . . ? 0.918 110.9 54.5 -62.2 -43.1 54.3 -29.2 -42.1 +8IRA H 9 TYR H . . X . . S + . . . . ? 0.896 112.5 43.9 -53.4 -41.0 56.9 -31.4 -43.8 +8IRA H 10 ILE H . . X . . S + . . . . ? 0.941 113.6 49.1 -73.0 -47.8 59.0 -31.2 -40.7 +8IRA H 11 VAL H . . X . . S + . . . . ? 0.929 113.6 47.0 -55.1 -46.2 56.2 -31.7 -38.3 +8IRA H 12 VAL H . . X . . S + . . . . ? 0.966 111.2 50.5 -64.8 -51.5 54.9 -34.7 -40.2 +8IRA H 13 THR H . . X . . S + . . . . ? 0.902 109.6 53.0 -49.1 -48.9 58.4 -36.3 -40.5 +8IRA H 14 PHE H . . X . . S + . . . . ? 0.948 111.3 43.1 -52.9 -55.7 58.8 -35.9 -36.8 +8IRA H 15 PHE H . . X . . S + . . . . ? 0.863 113.8 51.3 -64.1 -36.6 55.6 -37.7 -35.8 +8IRA H 16 VAL H . . X . . S + . . . . ? 0.893 108.1 52.1 -66.3 -40.0 56.1 -40.5 -38.3 +8IRA H 17 LEU H . . X . . S + . . . . ? 0.890 108.0 52.5 -63.8 -38.4 59.6 -41.2 -37.0 +8IRA H 18 LEU H . . X . . S + . . . . ? 0.881 110.3 48.7 -61.4 -40.9 58.2 -41.4 -33.5 +8IRA H 19 PHE H . . X . . S + . . . . ? 0.970 115.2 42.4 -61.4 -55.4 55.7 -44.0 -34.7 +8IRA H 20 VAL H . . X . . S + . . . . ? 0.906 119.0 42.4 -63.6 -44.6 58.2 -46.1 -36.5 +8IRA H 21 PHE H . . < . . S + . . . . ? 0.826 111.0 59.2 -74.8 -28.8 60.9 -46.0 -33.9 +8IRA H 22 GLY H . > < . . S + . . . . ? 0.936 108.7 42.1 -60.8 -50.0 58.3 -46.5 -31.1 +8IRA H 23 PHE H . 3 X . . S + . . . . ? 0.729 111.3 57.1 -72.3 -22.2 57.1 -49.8 -32.6 +8IRA H 24 LEU T . 3 < . . S + . . . . ? 0.508 85.2 89.1 -78.3 -10.2 60.7 -50.8 -33.2 +8IRA H 25 SER T . < 4 . . S - . . . . ? -0.346 121.2 -73.1 -91.6 54.2 61.5 -50.3 -29.5 +8IRA H 26 GLY T . > > . . S + . . . . ? 0.868 72.8 163.5 66.8 40.2 60.7 -53.8 -28.3 +8IRA H 27 ASP G . > < . . . + . . . . ? 0.874 66.5 62.1 -62.3 -41.9 56.9 -53.4 -28.6 +8IRA H 28 PRO G . 3 4 . . S + . . . . ? 0.847 102.3 54.8 -51.0 -32.8 56.1 -57.2 -28.4 +8IRA H 29 ALA G . < 4 . . S + . . . . ? 0.664 83.7 89.8 -75.0 -19.3 57.6 -57.2 -24.9 +8IRA H 30 ARG . . < < . . . + . . . . ? -0.487 66.8 100.8 -82.1 70.4 55.3 -54.3 -23.7 +8IRA H 31 ASN S . . . . . S - . . . . ? -0.924 80.8 -112.3 -146.6 162.6 52.5 -56.6 -22.4 +8IRA H 32 PRO S . . . . . S + . . . . ? 0.606 100.0 36.2 -81.5 -9.5 51.5 -57.8 -18.9 +8IRA H 33 LYS S . . . . . S + . . . . ? 0.588 112.8 19.8 -105.1 -108.1 52.4 -61.5 -19.4 +8IRA H 34 ARG . . . . . . . + . . . . ? -0.578 51.2 175.4 -74.2 118.0 55.3 -62.9 -21.4 +8IRA H 35 LYS . . . . . . . + . . . . ? 0.921 60.4 85.7 -77.9 -54.3 58.1 -60.4 -22.0 +8IRA H 36 ASP . . . . . . . + . . . . ? -0.249 49.2 145.0 -58.2 82.3 60.6 -62.7 -23.7 +8IRA H 37 LEU . . . . . . . . . . . . ? -0.617 . . -123.9 74.2 59.3 -62.5 -27.3 +8IRA H 38 GLU . . . . . . . . . . . . ? -0.631 . . -147.1 . 62.3 -62.7 -29.6 +8IRA I 1 SER . . . . . . . . . . . . ? . . . . -70.9 9.8 -97.1 -38.5 +8IRA I 2 GLU . . > . . . . - . . . . ? -0.690 . -118.5 -78.1 129.3 12.6 -96.7 -35.9 +8IRA I 3 GLY T . 3 . . . S + . . . . ? -0.532 91.4 55.1 -74.9 132.8 14.4 -93.4 -36.3 +8IRA I 4 GLY T . 3 . . . . + . . . . ? 0.129 69.2 107.9 132.0 -18.6 18.1 -93.7 -37.2 +8IRA I 5 ARG S . < . . . S + . . . . ? 0.892 76.2 50.1 -58.1 -48.6 18.0 -95.8 -40.3 +8IRA I 6 ILE S . . . . . S - . . . . ? -0.851 96.4 -116.7 -99.9 117.6 18.9 -93.1 -42.8 +8IRA I 7 PRO . . > > . . . - . . . . ? -0.198 16.0 -131.7 -56.0 138.7 22.1 -91.0 -41.8 +8IRA I 8 LEU H . 3 > . . S + . . . . ? 0.786 103.8 61.9 -63.4 -29.2 21.3 -87.4 -41.2 +8IRA I 9 TRP H . 3 > . . S + . . . . ? 0.832 104.3 48.3 -68.7 -30.4 24.2 -86.2 -43.3 +8IRA I 10 ILE H . < > . . S + . . . . ? 0.893 111.0 51.1 -72.3 -39.9 22.6 -87.8 -46.4 +8IRA I 11 VAL H . . X . . S + . . . . ? 0.938 111.6 47.2 -59.1 -49.4 19.3 -86.2 -45.5 +8IRA I 12 ALA H . . X . . S + . . . . ? 0.866 112.7 49.8 -60.9 -39.4 20.9 -82.8 -45.3 +8IRA I 13 THR H . . X . . S + . . . . ? 0.903 113.8 44.0 -68.6 -43.3 22.8 -83.3 -48.6 +8IRA I 14 VAL H . . X . . S + . . . . ? 0.903 115.4 48.3 -67.1 -43.8 19.6 -84.4 -50.5 +8IRA I 15 ALA H . . X . . S + . . . . ? 0.913 112.0 50.8 -59.5 -45.0 17.6 -81.6 -48.9 +8IRA I 16 GLY H . . X . . S + . . . . ? 0.919 109.6 48.2 -58.4 -48.7 20.3 -79.1 -49.8 +8IRA I 17 MET H . . X . . S + . . . . ? 0.893 108.3 56.7 -61.2 -41.1 20.6 -80.2 -53.4 +8IRA I 18 GLY H . . X . . S + . . . . ? 0.925 106.9 48.3 -52.1 -51.1 16.8 -79.9 -53.6 +8IRA I 19 VAL H . . X . . S + . . . . ? 0.871 109.6 52.7 -57.1 -42.4 16.9 -76.3 -52.5 +8IRA I 20 ILE H . . X . . S + . . . . ? 0.899 108.0 51.1 -64.8 -40.6 19.7 -75.5 -55.1 +8IRA I 21 VAL H . . X . . S + . . . . ? 0.919 112.8 44.4 -62.3 -43.6 17.6 -76.9 -57.9 +8IRA I 22 ILE H . . X . . S + . . . . ? 0.920 115.9 46.3 -72.9 -41.7 14.5 -74.9 -57.1 +8IRA I 23 VAL H . . X . . S + . . . . ? 0.920 110.4 54.2 -62.3 -46.1 16.4 -71.7 -56.5 +8IRA I 24 GLY H . . X . . S + . . . . ? 0.868 105.9 53.9 -51.8 -40.9 18.4 -72.3 -59.7 +8IRA I 25 LEU H . . X . . S + . . . . ? 0.844 105.9 52.1 -65.2 -36.3 15.1 -72.6 -61.6 +8IRA I 26 PHE H . . < . . S + . . . . ? 0.856 110.2 47.6 -70.3 -37.8 13.9 -69.2 -60.3 +8IRA I 27 PHE H . > < . . S + . . . . ? 0.891 108.7 55.4 -66.9 -41.4 17.1 -67.5 -61.5 +8IRA I 28 TYR H . > < . . S + . . . . ? 0.926 103.7 55.9 -50.1 -46.2 16.6 -69.2 -64.8 +8IRA I 29 GLY T . 3 < . . S + . . . . ? 0.614 93.0 68.3 -69.0 -15.2 13.1 -67.7 -65.0 +8IRA I 30 ALA T . < . . . S + . . . . ? 0.628 106.8 41.0 -72.1 -17.0 14.5 -64.2 -64.6 +8IRA I 31 TYR S . < . . . S + . . . . ? 0.293 116.1 52.8 -113.1 4.7 16.1 -64.6 -68.0 +8IRA I 32 ALA S . . . . . S - . . . . ? -0.996 100.4 -15.7 -145.7 148.9 13.1 -66.3 -69.7 +8IRA I 33 GLY S . > . . . S + . . . . ? -0.235 112.2 16.8 63.5 -146.4 9.4 -65.9 -70.3 +8IRA I 34 LEU T . 3 . . . S + . . . . ? -0.223 129.2 21.5 -54.9 142.8 7.6 -63.4 -68.2 +8IRA I 35 GLY T . 3 . . . S + . . . . ? 0.466 91.6 105.5 81.8 5.8 9.7 -60.8 -66.3 +8IRA I 36 SER S . < . . . S - . . . . ? 0.523 83.6 -126.3 -94.6 -8.5 12.7 -61.2 -68.6 +8IRA I 37 SER . . . . . . . . . . . . ? 0.211 . . 82.2 -13.9 12.3 -57.9 -70.5 +8IRA I 38 LEU . . . . . . . . . . . . ? -0.588 . . -94.6 . 12.3 -59.7 -73.8 +8IRA J 1 LYS . . . . . . . . . . . . ? . . . . 152.7 33.9 -70.8 -80.3 +8IRA J 2 LEU . . . . . . . - . . . . ? -0.509 . -80.7 -72.5 154.4 35.9 -73.9 -79.6 +8IRA J 3 PRO . . > . . . . - . . . . ? -0.275 48.2 -108.0 -51.6 150.3 37.5 -75.5 -82.7 +8IRA J 4 GLU G . > . . . S + . . . . ? 0.811 115.6 63.5 -57.1 -35.9 34.9 -77.6 -84.5 +8IRA J 5 ALA G . 3 . . . S + . . . . ? 0.777 107.9 41.4 -59.9 -30.9 36.5 -80.9 -83.4 +8IRA J 6 TYR G . X . . . S + . . . . ? 0.391 83.4 106.2 -94.7 0.5 35.9 -80.2 -79.7 +8IRA J 7 ALA G . X . . . . + . . . . ? 0.696 68.9 64.1 -60.5 -23.8 32.4 -78.8 -80.2 +8IRA J 8 ILE G . 3 . . . S + . . . . ? 0.728 99.5 54.8 -72.6 -21.3 30.6 -81.9 -78.8 +8IRA J 9 PHE G . X > . . S + . . . . ? 0.329 76.5 105.6 -89.0 5.5 32.2 -81.1 -75.4 +8IRA J 10 ASP H . < > . . S + . . . . ? 0.868 75.7 53.0 -57.8 -42.9 30.8 -77.6 -75.4 +8IRA J 11 PRO H . 3 4 . . S + . . . . ? 0.774 110.6 49.1 -62.5 -26.8 28.0 -78.5 -72.8 +8IRA J 12 LEU H . X > . . S + . . . . ? 0.893 107.7 53.0 -75.7 -43.2 30.8 -79.8 -70.5 +8IRA J 13 VAL H . 3 < . . S + . . . . ? 0.846 102.4 60.7 -60.8 -34.8 32.9 -76.7 -71.0 +8IRA J 14 ASP T . 3 < . . S + . . . . ? 0.739 111.3 38.9 -61.0 -26.3 29.9 -74.6 -69.9 +8IRA J 15 VAL T . X 4 . . S + . . . . ? 0.646 92.4 85.5 -100.3 -19.4 29.8 -76.3 -66.5 +8IRA J 16 LEU G . > < . . S + . . . . ? 0.861 79.7 63.0 -56.8 -44.1 33.6 -76.6 -65.7 +8IRA J 17 PRO G . 3 . . . S + . . . . ? 0.766 99.0 56.3 -53.4 -28.6 34.0 -73.1 -64.1 +8IRA J 18 VAL G . X > . . S + . . . . ? 0.707 80.5 89.8 -77.8 -20.7 31.6 -73.9 -61.3 +8IRA J 19 ILE H . X > . . S + . . . . ? 0.780 77.1 62.6 -55.1 -37.1 33.4 -77.0 -60.1 +8IRA J 20 PRO H . > > . . S + . . . . ? 0.879 99.6 56.2 -52.4 -39.6 35.7 -75.0 -57.6 +8IRA J 21 VAL H . < > . . S + . . . . ? 0.813 99.5 60.7 -58.9 -34.4 32.6 -74.0 -55.7 +8IRA J 22 LEU H . < X . . S + . . . . ? 0.793 96.1 60.2 -67.6 -28.5 31.7 -77.7 -55.3 +8IRA J 23 PHE H . < X . . S + . . . . ? 0.884 104.5 48.9 -65.2 -39.8 34.9 -78.3 -53.4 +8IRA J 24 LEU H . . X . . S + . . . . ? 0.913 112.7 48.0 -64.1 -44.3 33.8 -75.8 -50.7 +8IRA J 25 ALA H . > X . . S + . . . . ? 0.867 105.7 59.0 -62.1 -38.1 30.4 -77.5 -50.5 +8IRA J 26 LEU H . 3 X . . S + . . . . ? 0.839 94.8 64.2 -61.5 -33.8 32.0 -80.9 -50.3 +8IRA J 27 ALA H . 3 X . . S + . . . . ? 0.875 104.3 47.0 -56.0 -38.2 33.9 -79.8 -47.1 +8IRA J 28 PHE H . < X . . S + . . . . ? 0.845 109.8 51.6 -75.4 -35.0 30.5 -79.5 -45.4 +8IRA J 29 VAL H . . X . . S + . . . . ? 0.939 112.9 47.4 -61.7 -48.0 29.3 -82.9 -46.7 +8IRA J 30 TRP H . . X . . S + . . . . ? 0.935 112.2 47.9 -56.8 -51.2 32.5 -84.4 -45.3 +8IRA J 31 GLN H . . < > . S + . . . . ? 0.837 109.8 53.1 -64.1 -33.5 32.2 -82.6 -41.9 +8IRA J 32 ALA H . > < 5 . S + . . . . ? 0.863 104.9 56.4 -66.5 -36.5 28.5 -83.7 -41.6 +8IRA J 33 ALA H . 3 < 5 . S + . . . . ? 0.764 111.5 41.5 -66.1 -28.5 29.6 -87.3 -42.2 +8IRA J 34 VAL T . > < 5 . S - . . . . ? 0.170 119.1 -107.9 -107.9 18.1 32.0 -87.2 -39.3 +8IRA J 35 GLY T . < . 5 . . - . . . . ? 0.622 54.3 -79.7 76.7 18.5 29.6 -85.3 -37.0 +8IRA J 36 PHE T . 3 . < . . . . . . . ? 0.875 . . 54.2 41.6 31.4 -82.0 -37.0 +8IRA J 37 ARG . . < . . . . . . . . . ? -0.205 . . -67.4 . 33.8 -83.4 -34.5 +8IRA K 1 GLU . . . . . . . . . . . . ? . . . . 78.8 1.6 -34.1 12.6 +8IRA K 2 PRO . . . . . . . - . . . . ? -0.523 . -131.0 -73.6 126.1 4.5 -35.7 10.6 +8IRA K 3 ASN . . > . . . . - . . . . ? -0.602 10.5 -152.8 -72.8 123.9 3.5 -37.5 7.4 +8IRA K 4 PRO T . 3 . . . S + . . . . ? 0.546 83.7 72.2 -76.7 -5.9 5.2 -41.0 7.4 +8IRA K 5 ASN T . 3 . . . . + . . . . ? 0.466 66.1 121.1 -92.2 -4.6 5.2 -41.3 3.6 +8IRA K 6 ARG . . < . . . . - . . . . ? -0.283 40.0 -176.3 -57.8 146.7 8.0 -38.7 3.0 +8IRA K 7 GLN . . . . . . . - . . . . ? -0.991 27.3 -109.2 -147.3 138.7 11.1 -40.1 1.2 +8IRA K 8 PRO . . . . . . . - . . . . ? -0.445 30.9 -140.4 -69.5 144.9 14.5 -38.6 0.3 +8IRA K 9 VAL B . . . . . . - O AN Z . ? -0.825 18.4 -168.0 -105.2 146.7 15.1 -37.9 -3.4 +8IRA K 10 GLU . . . . . . . + . . . . ? -0.958 20.8 178.9 -134.0 150.4 18.5 -38.4 -5.2 +8IRA K 11 LEU . . . . . . . - . . . . ? -0.837 25.3 -148.5 -143.6 112.1 20.2 -37.6 -8.4 +8IRA K 12 ASN . . . > . . . - . . . . ? -0.209 27.8 -103.5 -75.1 170.8 23.7 -38.9 -8.7 +8IRA K 13 ARG H . . > . . S + . . . . ? 0.845 119.3 53.7 -67.9 -38.7 26.5 -37.2 -10.7 +8IRA K 14 THR H . . > . . S + . . . . ? 0.867 108.7 51.2 -61.8 -37.6 26.4 -39.5 -13.6 +8IRA K 15 SER H . . > . . S + . . . . ? 0.887 108.1 51.9 -67.7 -39.8 22.7 -38.9 -14.0 +8IRA K 16 LEU H . . X . . S + . . . . ? 0.938 111.8 46.6 -58.0 -48.5 23.3 -35.1 -13.9 +8IRA K 17 TYR H . . X . . S + . . . . ? 0.920 114.1 46.5 -61.8 -48.4 25.8 -35.5 -16.7 +8IRA K 18 LEU H . . X . . S + . . . . ? 0.887 115.1 49.2 -59.0 -39.5 23.6 -37.8 -18.8 +8IRA K 19 GLY H . . X . . S + . . . . ? 0.940 110.6 47.1 -66.3 -50.1 20.7 -35.3 -18.1 +8IRA K 20 LEU H . . X . . S + . . . . ? 0.893 111.5 53.0 -62.5 -37.3 22.6 -32.2 -19.1 +8IRA K 21 LEU H . . X . . S + . . . . ? 0.932 109.1 48.9 -62.0 -47.7 23.8 -33.9 -22.2 +8IRA K 22 LEU H . . X . . S + . . . . ? 0.944 114.5 44.6 -54.6 -51.5 20.3 -34.9 -23.3 +8IRA K 23 ILE H . . X . . S + . . . . ? 0.944 114.6 47.9 -61.8 -50.3 18.9 -31.4 -22.7 +8IRA K 24 LEU H . . X . . S + . . . . ? 0.922 115.2 45.2 -59.3 -45.6 21.8 -29.7 -24.5 +8IRA K 25 VAL H . . X . . S + . . . . ? 0.912 111.9 51.3 -65.6 -43.5 21.7 -32.0 -27.5 +8IRA K 26 LEU H . . X . . S + . . . . ? 0.920 112.1 48.5 -57.3 -42.2 17.9 -31.7 -27.7 +8IRA K 27 ALA H . . X . . S + . . . . ? 0.841 109.7 51.1 -65.6 -36.6 18.3 -28.0 -27.7 +8IRA K 28 LEU H . . < . . S + . . . . ? 0.880 114.8 45.4 -68.2 -35.2 21.0 -28.1 -30.3 +8IRA K 29 LEU H . . < . . S + . . . . ? 0.919 120.9 34.6 -73.2 -43.8 18.6 -30.2 -32.4 +8IRA K 30 PHE H . > X . . S + . . . . ? 0.675 95.5 83.6 -90.0 -19.4 15.4 -28.2 -32.0 +8IRA K 31 SER H . 3 X . . S + . . . . ? 0.864 88.1 54.9 -52.9 -43.6 16.9 -24.7 -31.9 +8IRA K 32 SER H . 3 > . . S + . . . . ? 0.850 108.3 49.1 -59.7 -36.2 17.0 -24.4 -35.7 +8IRA K 33 TYR H . < 4 . . S + . . . . ? 0.867 108.5 53.6 -74.9 -33.3 13.3 -25.3 -35.9 +8IRA K 34 PHE H . . < . . S + . . . . ? 0.875 114.2 40.6 -66.5 -42.2 12.4 -22.7 -33.3 +8IRA K 35 PHE H . . < . . . . . . . . ? 0.763 . . -71.6 -30.9 14.2 -19.9 -35.1 +8IRA K 36 ASN . . . < . . . . . . . . ? 0.890 . . 49.6 . 12.8 -21.3 -38.4 +8IRA L 1 FME . . . . . . . . . . . . ? . . . . 136.5 18.1 -13.6 -41.6 +8IRA L 2 GLU . . . . . . . + . . . . ? -0.558 . 163.6 -81.6 78.5 14.4 -13.1 -40.8 +8IRA L 3 VAL . . . . . . . - . . . . ? -0.329 49.7 -89.5 -80.1 169.3 14.2 -15.7 -38.1 +8IRA L 4 ASN . . > . . . . - . . . . ? -0.701 33.7 -150.3 -78.2 125.9 11.4 -16.0 -35.5 +8IRA L 5 GLN T . > > . . S + . . . . ? 0.724 92.2 65.8 -81.9 -18.0 12.5 -13.9 -32.6 +8IRA L 6 LEU H . 3 > . . S + . . . . ? 0.632 82.7 83.5 -69.4 -14.3 10.7 -16.0 -29.9 +8IRA L 7 GLY H . < > . . S + . . . . ? 0.846 86.0 54.6 -53.1 -35.8 13.2 -18.7 -31.0 +8IRA L 8 LEU H . < > . . S + . . . . ? 0.962 112.7 38.0 -66.2 -53.2 15.7 -17.1 -28.6 +8IRA L 9 ILE H . . X . . S + . . . . ? 0.902 115.9 54.6 -68.7 -37.5 13.6 -17.2 -25.5 +8IRA L 10 ALA H . . X . . S + . . . . ? 0.936 112.3 42.8 -57.3 -50.7 12.1 -20.6 -26.4 +8IRA L 11 THR H . . X . . S + . . . . ? 0.924 114.1 52.9 -60.7 -43.2 15.6 -22.1 -26.8 +8IRA L 12 ALA H . . X . . S + . . . . ? 0.912 113.0 40.4 -62.0 -49.3 16.8 -20.4 -23.6 +8IRA L 13 LEU H . . X . . S + . . . . ? 0.890 110.2 60.1 -68.6 -38.4 14.0 -21.7 -21.3 +8IRA L 14 PHE H . . < . . S + . . . . ? 0.890 115.8 35.0 -55.3 -41.8 14.2 -25.1 -23.0 +8IRA L 15 VAL H . . X . . S + . . . . ? 0.972 122.2 45.5 -70.2 -56.2 17.8 -25.3 -21.9 +8IRA L 16 LEU H . . X . . S + . . . . ? 0.866 106.4 52.8 -60.1 -51.5 17.5 -23.5 -18.5 +8IRA L 17 VAL H . . X . . S + . . . . ? 0.957 117.0 34.9 -60.3 -57.6 14.3 -24.9 -16.9 +8IRA L 18 PRO H . . > . . S + . . . . ? 0.886 116.8 54.9 -65.7 -35.5 15.2 -28.7 -17.1 +8IRA L 19 SER H . . X . . S + . . . . ? 0.948 109.4 47.4 -60.6 -46.4 19.0 -28.1 -16.5 +8IRA L 20 VAL H . . X . . S + . . . . ? 0.867 106.9 57.7 -62.0 -40.6 18.2 -26.2 -13.3 +8IRA L 21 PHE H . . X . . S + . . . . ? 0.946 109.0 45.3 -50.6 -53.2 15.9 -28.9 -12.2 +8IRA L 22 LEU H . . X . . S + . . . . ? 0.871 111.5 52.6 -61.5 -38.3 18.7 -31.5 -12.5 +8IRA L 23 ILE H . . X . . S + . . . . ? 0.913 107.9 50.6 -66.9 -44.2 21.2 -29.1 -10.7 +8IRA L 24 ILE H . . X . . S + . . . . ? 0.961 113.8 45.1 -53.6 -52.2 18.8 -28.6 -7.8 +8IRA L 25 LEU H . . X . . S + . . . . ? 0.895 114.9 48.2 -62.8 -41.9 18.3 -32.4 -7.4 +8IRA L 26 TYR H . > X . . S + . . . . ? 0.960 111.8 47.4 -62.2 -51.8 22.1 -33.1 -7.8 +8IRA L 27 VAL H . 3 X . . S + . . . . ? 0.887 111.7 49.7 -62.8 -40.6 23.3 -30.5 -5.3 +8IRA L 28 GLN H . 3 < . . S + . . . . ? 0.722 108.4 55.0 -73.8 -19.2 20.7 -31.5 -2.6 +8IRA L 29 THR H . X < . . S + . . . . ? 0.928 107.9 48.5 -70.4 -48.6 21.8 -35.2 -3.0 +8IRA L 30 GLU H . 3 < . . S + . . . . ? 0.853 107.0 56.1 -57.2 -40.3 25.5 -34.3 -2.4 +8IRA L 31 SER T . 3 < . . S + . . . . ? 0.551 91.3 91.1 -75.9 -8.0 24.6 -32.3 0.7 +8IRA L 32 GLN . . < . . . . . . . . . ? -0.441 . . -74.3 161.7 22.8 -35.3 2.3 +8IRA L 33 GLN . . . . . . . . . . . . ? 0.758 . . -111.5 . 24.8 -37.7 4.5 +8IRA M 1 THR . . . . . . . . . . . . ? . . . . 48.8 60.4 -26.3 -78.1 +8IRA M 2 LEU . . . . . . . - . . . . ? -0.435 . -147.2 -87.2 149.1 58.4 -27.5 -75.1 +8IRA M 3 THR . . > > . . . - . . . . ? -0.651 33.3 -97.3 -107.2 170.1 55.7 -30.2 -75.1 +8IRA M 4 TYR H . 3 > . . S + . . . . ? 0.848 123.5 55.9 -53.8 -42.3 52.5 -30.6 -73.1 +8IRA M 5 ASP H . 3 4 . . S + . . . . ? 0.807 106.6 50.9 -64.6 -30.5 54.2 -32.9 -70.7 +8IRA M 6 ASP H . < 4 . . S + . . . . ? 0.865 120.3 35.0 -68.4 -37.2 56.8 -30.2 -70.0 +8IRA M 7 ILE H . > < . . S + . . . . ? 0.775 85.1 114.8 -87.9 -31.0 54.1 -27.6 -69.3 +8IRA M 8 VAL T . 3 < . . S + . . . . ? -0.118 88.9 4.5 -57.4 133.8 51.3 -29.5 -67.6 +8IRA M 9 GLY T . 3 . . . S + . . . . ? 0.283 105.1 97.7 83.2 -10.5 50.7 -28.4 -64.0 +8IRA M 10 THR S . < . . . S - . . . . ? 0.754 89.7 -120.7 -83.3 -27.8 53.2 -25.6 -64.1 +8IRA M 11 GLY S . > . . . S + . . . . ? 0.245 84.3 112.8 100.4 -13.5 50.9 -22.6 -64.8 +8IRA M 12 LEU G . > . . . . + . . . . ? 0.781 63.4 71.9 -60.8 -30.7 52.8 -21.7 -68.1 +8IRA M 13 ALA G . 3 . . . S + . . . . ? 0.758 97.1 50.3 -56.9 -25.9 49.6 -22.8 -70.0 +8IRA M 14 ASN G . < . . . S + . . . . ? 0.231 96.2 90.0 -96.9 13.3 47.9 -19.6 -68.7 +8IRA M 15 LYS S . < . . . S - . . . . ? -0.868 70.5 -134.0 -108.6 144.3 50.8 -17.3 -69.7 +8IRA M 16 CYS . 1 . . . . . - . . . . ? -0.590 36.3 -94.0 -85.4 152.8 51.2 -15.5 -73.1 +8IRA M 17 PRO . . . . . . . - . . . . ? -0.233 36.7 -148.3 -56.2 155.8 54.5 -15.6 -74.9 +8IRA M 18 THR . . . . . . . - . . . . ? -0.845 6.7 -133.6 -114.0 162.7 57.0 -12.7 -74.4 +8IRA M 19 LEU . . . . . . . - . . . . ? -0.744 34.7 -93.1 -104.9 162.6 59.5 -11.4 -76.9 +8IRA M 20 ASP . . > . . . . - . . . . ? -0.249 31.6 -112.8 -67.2 162.0 63.1 -10.6 -76.1 +8IRA M 21 ASP T . 3 . . . S + . . . . ? 0.616 115.6 68.9 -71.7 -11.3 64.2 -7.2 -74.9 +8IRA M 22 THR T . 3 . . . S + . . . . ? 0.831 73.8 99.4 -67.2 -34.2 66.1 -7.0 -78.2 +8IRA M 23 ALA . . < . . . . + . . . . ? -0.381 33.6 122.3 -68.7 84.7 62.8 -6.8 -80.1 +8IRA M 24 ARG B . . . . . . + AK CJ BA . ? 0.102 44.7 119.6 -123.2 16.9 62.4 -3.1 -80.9 +8IRA M 25 GLY . . . . . . . - . . . . ? 0.343 60.9 -105.3 -72.3 -158.8 62.2 -3.5 -84.7 +8IRA M 26 ALA . . . . . . . - . . . . ? -1.000 11.8 -146.0 -140.8 134.9 59.5 -2.6 -87.2 +8IRA M 27 TYR E . . . . . . - AL CT BK . ? -0.878 26.7 -132.8 -106.4 105.9 57.0 -4.7 -89.1 +8IRA M 28 PRO E . . . . . . - AL CT BK . ? -0.325 12.2 -149.8 -66.6 130.5 56.4 -3.2 -92.6 +8IRA M 29 ILE . . . . . . . - . . . . ? -0.898 2.4 -157.4 -97.7 122.7 52.7 -3.0 -93.8 +8IRA M 30 ASP . . > . . . . - . . . . ? -0.900 7.4 -152.8 -96.5 109.9 52.2 -3.2 -97.5 +8IRA M 31 SER T . 3 . . . S + . . . . ? 0.610 93.6 61.7 -65.9 -8.0 48.8 -1.5 -98.2 +8IRA M 32 SER T . 3 . . . S + . . . . ? 0.427 96.8 78.2 -86.9 -1.4 48.3 -3.8 -101.2 +8IRA M 33 GLN S . < . . . S - . . . . ? -0.772 75.7 -130.2 -114.8 151.1 48.4 -6.9 -99.0 +8IRA M 34 THR . . . . . . . - . . . . ? -0.903 29.5 -160.6 -103.4 128.2 45.8 -8.5 -96.8 +8IRA M 35 TYR E . . . . . . - AK CK BB BC ? -0.744 7.8 -158.2 -115.4 156.3 47.0 -9.3 -93.2 +8IRA M 36 ARG E . . . . . . - AK CK BB BC ? -0.990 20.8 -136.5 -132.0 138.9 45.8 -11.6 -90.4 +8IRA M 37 ILE E . . . . . . - AK CK BB BC ? -0.875 26.5 -175.9 -87.3 106.6 46.3 -11.8 -86.7 +8IRA M 38 ALA E . . . . . . + AK CK . . ? 0.803 68.8 13.6 -75.7 -33.4 46.9 -15.5 -86.4 +8IRA M 39 ARG E . . . . . . - AK CK . BC ? -0.927 61.2 -177.7 -149.5 118.8 47.2 -15.6 -82.6 +8IRA M 40 LEU E . . . . . . - AK CK BB BC ? -0.989 11.4 -174.0 -118.1 128.8 46.2 -12.9 -80.1 +8IRA M 41 CYS E 1 . . . . . - AK CK . BC ? -0.979 7.4 -170.9 -128.0 128.0 46.8 -13.7 -76.4 +8IRA M 42 LEU E . . . . . . - AK CK BB BC ? -0.989 1.1 -174.2 -123.8 122.8 45.8 -11.6 -73.4 +8IRA M 43 GLN E . . . . . . - AK CK . BC ? -0.942 16.3 -145.9 -117.0 107.8 47.1 -12.4 -69.9 +8IRA M 44 PRO E . . . . . . + AK CK . BC ? -0.450 20.4 175.2 -69.0 144.5 45.5 -10.2 -67.1 +8IRA M 45 THR E . . . . . . + AK CK . . ? 0.585 66.2 26.4 -118.1 -27.7 47.9 -9.5 -64.2 +8IRA M 46 THR E . . . . . . - AK CK . BC ? -1.000 57.6 -159.0 -141.5 141.4 45.7 -7.2 -62.1 +8IRA M 47 PHE E . . . . . . - AK CK . BC ? -0.983 14.0 -172.0 -118.7 121.6 42.0 -6.7 -61.6 +8IRA M 48 LEU E . . . . . . - AK CK BD BC ? -0.946 5.7 -159.4 -115.7 135.4 40.8 -3.3 -60.2 +8IRA M 49 VAL E . . . . . . - AK CK BD BC ? -0.950 19.9 -123.8 -114.6 133.8 37.2 -2.6 -59.1 +8IRA M 50 LYS E . . . . . . - AK CK BD . ? -0.610 23.1 -135.4 -74.0 129.6 35.8 0.9 -58.8 +8IRA M 51 GLU . . . . . . . - . . . . ? -0.642 13.4 -131.7 -80.1 141.9 34.4 1.7 -55.3 +8IRA M 52 GLU . . . . . . . - . . . . ? -0.868 22.2 -138.7 -97.0 114.3 31.0 3.5 -55.3 +8IRA M 53 PRO . . . . . . . - . . . . ? -0.331 8.4 -131.0 -68.6 157.8 31.1 6.5 -52.9 +8IRA M 54 LYS S . . . . . S + . . . . ? 0.879 106.0 36.3 -75.5 -41.9 28.1 7.3 -50.6 +8IRA M 55 ASN S . . . . . S - . . . . ? 0.644 92.4 -144.1 -86.7 -17.7 27.7 11.0 -51.5 +8IRA M 56 LYS S . . . . . S + . . . . ? 0.038 86.7 84.4 75.6 -23.1 28.7 10.5 -55.2 +8IRA M 57 ARG S . . . . . S + . . . . ? 0.654 71.4 86.4 -85.7 -18.6 30.4 13.9 -55.1 +8IRA M 58 GLN S . . . . > S - . . . . ? -0.594 97.7 -99.0 -68.8 144.8 33.6 12.3 -53.7 +8IRA M 59 GLU P . . . . P . - . . . . ? -0.502 35.0 -131.5 -66.9 129.1 35.9 10.9 -56.4 +8IRA M 60 ALA P . . . . < . - . . . . ? -0.642 26.9 -164.8 -80.6 141.0 35.5 7.2 -57.0 +8IRA M 61 GLU . . . . . . . - . . . . ? -0.873 22.1 -111.3 -125.8 161.2 38.7 5.1 -57.1 +8IRA M 62 PHE E . . . . > . - AK CL BD . ? -0.821 31.9 -158.6 -91.4 126.5 39.8 1.7 -58.3 +8IRA M 63 VAL E . . . . P . - AK CL BD . ? -0.749 21.5 -107.7 -103.5 152.1 40.8 -0.7 -55.5 +8IRA M 64 PRO E . . . . < . - AK CL BD . ? -0.423 36.1 -162.6 -75.9 154.5 43.0 -3.8 -55.9 +8IRA M 65 THR . . . . . . . - . . . . ? -0.892 17.1 -117.7 -135.7 163.2 41.4 -7.3 -55.6 +8IRA M 66 LYS E . . . . . . - AM CV BL . ? -0.900 25.1 -127.7 -108.1 131.8 42.6 -10.8 -55.0 +8IRA M 67 LEU E . . . . . . + AM CV BL . ? -0.665 28.5 173.6 -80.0 123.9 42.0 -13.5 -57.6 +8IRA M 68 VAL . . . . . . . + . . . . ? 0.500 65.1 70.7 -109.6 -4.2 40.3 -16.6 -56.2 +8IRA M 69 THR S . . . . . S - . . . . ? 0.168 90.6 -137.2 -105.0 19.4 39.7 -18.7 -59.4 +8IRA M 70 ARG . . . . . . . - . . . . ? 0.018 56.6 -18.0 68.9 -167.7 43.3 -19.7 -60.1 +8IRA M 71 GLU S . . . . . S + . . . . ? -0.333 100.9 102.7 -78.9 65.6 45.2 -19.8 -63.4 +8IRA M 72 THR . . . . . . . + . . . . ? 0.027 50.9 95.2 -130.7 22.4 42.1 -19.7 -65.6 +8IRA M 73 THR . . . . . . . + . . . . ? 0.657 51.0 100.8 -103.0 -20.7 42.2 -16.1 -66.7 +8IRA M 74 SER . . . . . . . - . . . . ? -0.435 54.7 -143.0 -84.6 145.8 43.9 -15.7 -70.1 +8IRA M 75 LEU E . . . . . . + AK CM BB . ? -0.790 35.1 156.7 -97.1 141.9 42.4 -15.3 -73.5 +8IRA M 76 ASP E . . . . . . + AK CM . BE ? -0.985 39.3 47.3 -163.2 164.8 44.2 -17.0 -76.3 +8IRA M 77 GLN E . . . . . S + AK CM . . ? 0.736 70.4 157.4 63.9 29.4 44.0 -18.5 -79.8 +8IRA M 78 ILE E . . . . . . + AK CM BB . ? -0.642 13.3 172.0 -81.4 136.2 42.2 -15.3 -80.9 +8IRA M 79 GLN E . . . . . . + AK CM . BE ? -0.973 7.2 138.6 -144.0 157.8 42.4 -14.6 -84.6 +8IRA M 80 GLY E . . . . . . - AK CM BB BE ? -0.962 50.9 -60.1 179.4 174.6 40.9 -12.2 -87.1 +8IRA M 81 GLU E . . . . . . - AK CM BB BE ? -0.473 32.6 -153.2 -74.2 139.1 41.4 -10.0 -90.2 +8IRA M 82 LEU E . . . . . . - AK CM BB BE ? -0.923 24.3 -163.6 -111.8 99.7 43.9 -7.1 -89.9 +8IRA M 83 LYS E . . . . . . - AK CM . BE ? -0.589 17.0 -138.5 -89.0 144.5 42.6 -4.6 -92.5 +8IRA M 84 VAL E . . . . . . - AK CM . BE ? -0.901 27.6 -153.2 -96.2 124.9 44.3 -1.6 -94.0 +8IRA M 85 ASN . . > . . . . - . . . . ? -0.346 30.1 -94.8 -93.8 174.5 42.0 1.5 -94.2 +8IRA M 86 SER T . 3 . . . S + . . . . ? 0.872 123.6 48.5 -48.4 -47.9 41.9 4.5 -96.5 +8IRA M 87 ASP T . 3 . . . S - . . . . ? 0.217 121.0 -102.9 -87.3 11.1 43.9 6.6 -94.1 +8IRA M 88 GLY S . < . . . S + . . . . ? 0.358 79.3 133.3 84.0 -5.9 46.6 4.1 -93.5 +8IRA M 89 SER . . . . . . . - . . . . ? -0.373 51.8 -129.6 -69.2 156.3 45.3 3.0 -90.1 +8IRA M 90 LEU E . . . . . . - AK CN BE . ? -0.853 16.7 -160.9 -105.3 145.9 45.0 -0.7 -89.3 +8IRA M 91 THR E . . . . . . - AK CN BE BF ? -0.987 5.0 -154.0 -128.8 123.4 41.8 -2.3 -88.0 +8IRA M 92 PHE E . . . . . . - AK CN BE BF ? -0.834 8.5 -168.3 -89.4 127.3 41.7 -5.7 -86.2 +8IRA M 93 VAL E . . . . . . - AK CN BE BF ? -0.955 19.9 -134.5 -117.3 109.7 38.3 -7.5 -86.4 +8IRA M 94 GLU E . . . . . . + AK CN BE . ? -0.442 28.3 172.9 -65.3 131.4 38.1 -10.5 -84.1 +8IRA M 95 GLU E . . . . . . - AK CN . . ? 0.809 57.5 -30.2 -104.0 -49.3 36.7 -13.5 -85.8 +8IRA M 96 ASP E . . . . . . + AK CN BE . ? -0.975 68.5 114.3 -165.3 164.3 37.0 -16.4 -83.3 +8IRA M 97 GLY E . . . . . S - AK CN . . ? -0.868 77.9 -53.1 153.0 -178.3 39.1 -17.7 -80.4 +8IRA M 98 ILE E . . . . . S + AK CN BE . ? -0.699 71.6 161.3 -82.2 83.9 39.0 -18.5 -76.7 +8IRA M 99 ASP . . . . . . . + . . . . ? 0.109 45.3 46.2 -106.7 18.6 37.8 -14.9 -76.2 +8IRA M 100 PHE E . . . . . . - AM CW . BM ? -0.983 48.9 -179.8 -151.9 151.6 36.3 -15.1 -72.7 +8IRA M 101 GLN E . . . . . . - AM CW . BM ? -0.935 29.9 -125.3 -145.0 131.1 37.1 -16.4 -69.2 +8IRA M 102 PRO E . . . . . . - AM CW . BM ? -0.603 34.6 -171.6 -66.9 135.8 34.9 -16.1 -66.1 +8IRA M 103 VAL E . . . . . . - AM CW . BM ? -0.992 15.4 -161.9 -130.5 138.1 36.9 -14.5 -63.3 +8IRA M 104 THR E . . . . . . - AM CW . BM ? -0.982 13.2 -179.8 -120.5 121.7 36.1 -14.0 -59.6 +8IRA M 105 VAL E . . . . . . - AM CW BL BM ? -0.827 17.7 -138.2 -112.1 155.8 38.1 -11.5 -57.6 +8IRA M 106 GLN E . . . . . . - AM CW BL BM ? -0.949 11.3 -149.9 -119.1 134.3 37.6 -10.7 -54.0 +8IRA M 107 MET . . > . . . . - . . . . ? -0.535 41.9 -74.1 -93.0 166.0 37.7 -7.2 -52.5 +8IRA M 108 ALA T . 3 . . . S + . . . . ? -0.400 123.2 34.8 -60.4 129.0 38.8 -6.2 -49.0 +8IRA M 109 GLY T . 3 . . . S - . . . . ? 0.275 127.1 -82.3 102.5 -10.4 36.1 -7.3 -46.5 +8IRA M 110 GLY S . < . . . S + . . . . ? 0.177 76.8 146.5 109.1 -12.8 35.2 -10.5 -48.5 +8IRA M 111 GLU . . . . . . . - . . . . ? -0.372 38.7 -142.5 -61.9 131.4 32.8 -9.3 -51.3 +8IRA M 112 ARG E . . . . . . - AM CX BM . ? -0.812 10.2 -161.5 -101.9 131.9 33.3 -11.4 -54.4 +8IRA M 113 ILE E . . . . . . - AM CX BM . ? -0.908 5.6 -164.3 -117.2 98.7 33.0 -9.8 -57.9 +8IRA M 114 PRO E . . . . . . + AM CX BM . ? -0.680 16.2 172.5 -78.0 137.4 32.4 -12.2 -60.8 +8IRA M 115 LEU E . . . . . . - AM CX BM . ? -0.958 37.8 -125.8 -139.1 158.3 33.1 -10.8 -64.2 +8IRA M 116 LEU E . . . . . . - AM CX BM . ? -0.873 29.0 -153.8 -104.0 91.7 33.2 -12.2 -67.8 +8IRA M 117 PHE E . . . . . . + AM CX BM . ? -0.582 38.0 143.9 -68.2 120.2 36.7 -11.1 -68.9 +8IRA M 118 THR E . . . . . . - AM CX BM . ? -0.960 55.6 -161.1 -155.3 162.0 36.3 -10.9 -72.6 +8IRA M 119 VAL . . > . . . . + . . . . ? -0.088 39.0 166.7 -134.4 32.5 37.1 -9.2 -75.9 +8IRA M 120 LYS T . 3 . . . S + . . . . ? -0.220 71.0 3.6 -53.0 129.7 34.2 -10.7 -77.8 +8IRA M 121 ASN T . 3 . . . S - . . . . ? 0.809 90.8 -173.1 61.7 34.9 33.6 -9.0 -81.2 +8IRA M 122 LEU . . < . . . . - . . . . ? -0.340 14.3 -174.8 -59.9 131.7 36.6 -6.8 -80.7 +8IRA M 123 VAL E . . . . . . + AK CO BF BG ? -0.979 13.6 173.8 -124.8 120.6 37.1 -4.1 -83.3 +8IRA M 124 ALA E . . . . . . - AK CO BF BG ? -0.987 8.7 -171.6 -139.8 126.0 40.4 -2.3 -82.7 +8IRA M 125 SER E . . . . . . - AK CO BF BG ? -0.771 13.1 -139.6 -116.9 154.9 42.1 0.4 -84.8 +8IRA M 126 THR . . . . . . . - . . . . ? -0.375 40.9 -83.2 -91.5 178.7 45.5 2.2 -84.8 +8IRA M 127 GLN . . . . . . . - . . . . ? -0.318 65.9 -78.3 -70.0 165.4 46.2 5.8 -85.5 +8IRA M 128 PRO S . . . . . S + . . . . ? -0.117 102.8 27.5 -65.1 168.2 46.4 6.8 -89.2 +8IRA M 129 ASN . . . . . . . + . . . . ? 0.896 62.9 171.8 46.4 62.7 49.3 6.2 -91.7 +8IRA M 130 VAL . . . . . . . + . . . . ? -0.792 7.4 167.2 -100.0 87.2 51.0 3.2 -90.1 +8IRA M 131 THR S . . . . . S + . . . . ? 0.881 75.3 16.3 -61.1 -40.6 53.5 2.3 -92.8 +8IRA M 132 SER E . . . . . S - AL CU BK . ? -0.981 80.1 -118.8 -135.3 143.1 55.1 0.0 -90.2 +8IRA M 133 ILE E . . . . . . + AL CU BK . ? -0.783 50.1 163.2 -79.9 120.5 54.0 -1.5 -86.9 +8IRA M 134 THR . . > . . . . - . . . . ? -0.655 57.4 -86.3 -127.5 -177.7 56.4 -0.1 -84.3 +8IRA M 135 THR T . 3 . . . S + . . . . ? 0.536 127.3 58.2 -69.5 -10.0 56.7 0.3 -80.5 +8IRA M 136 SER T . 3 . . . S + . . . . ? 0.501 81.8 108.2 -92.8 -10.7 54.8 3.5 -80.9 +8IRA M 137 THR . . < . . . . - . . . . ? -0.465 50.0 -172.2 -71.2 140.4 51.8 1.8 -82.6 +8IRA M 138 ASP E . . . . . . - AK CP . BH ? -0.999 14.6 -149.9 -139.6 135.5 48.7 1.6 -80.4 +8IRA M 139 PHE E . . . . . . - AK CP . BH ? -0.928 12.7 -177.0 -106.0 129.4 45.4 -0.1 -80.8 +8IRA M 140 LYS E . . . . . . + AK CP BG BH ? -0.983 20.9 146.8 -121.3 139.6 42.2 1.3 -79.3 +8IRA M 141 GLY E . . . . . . - AK CP BG BH ? -0.959 38.8 -118.8 -161.5 173.0 38.9 -0.6 -79.5 +8IRA M 142 GLU E . . . . . . + AK CP BG BH ? -0.930 24.5 178.7 -122.7 149.2 35.5 -1.8 -78.4 +8IRA M 143 PHE E . . . . . . - AK CP . BH ? -0.884 29.2 -102.6 -139.6 170.1 34.1 -5.2 -77.6 +8IRA M 144 ASN E . . . . . . - AK CP . BH ? -0.743 18.4 -160.2 -96.7 147.0 30.8 -6.8 -76.3 +8IRA M 145 VAL E . . . . . . - AK CP . BH ? -0.861 16.1 -166.4 -125.1 91.5 30.3 -8.1 -72.8 +8IRA M 146 PRO E . . . . . . - AK CP . BH ? -0.258 43.2 -64.8 -68.6 165.7 27.3 -10.5 -72.8 +8IRA M 147 SER . . . . . . . - . . . . ? -0.229 43.0 -127.3 -47.0 136.4 25.6 -11.6 -69.6 +8IRA M 148 TYR S . . . . . S + . . . . ? 0.894 101.1 41.8 -57.2 -47.1 28.0 -13.6 -67.3 +8IRA M 149 ARG S . . . . . S - . . . . ? -0.832 90.2 -134.6 -96.2 143.9 25.4 -16.4 -67.2 +8IRA M 150 THR . . > . . . . - . . . . ? -0.315 37.8 -79.2 -95.2 -178.0 23.5 -17.3 -70.4 +8IRA M 151 ALA T . 3 . . . S + . . . . ? 0.722 122.2 55.0 -62.3 -30.2 19.8 -17.9 -70.8 +8IRA M 152 ASN T . 3 . . . S + . . . . ? 0.508 76.1 122.9 -80.0 -8.2 19.5 -21.4 -69.4 +8IRA M 153 PHE . . < . . . . - . . . . ? -0.379 49.6 -151.8 -64.6 128.5 21.1 -20.7 -66.0 +8IRA M 154 LEU . . . . . . . - . . . . ? -0.877 6.8 -137.0 -104.3 129.2 18.9 -21.5 -63.1 +8IRA M 155 ASP . . > . . . . - . . . . ? -0.147 41.7 -87.3 -74.4 172.7 19.2 -19.6 -59.8 +8IRA M 156 PRO T . 3 . . . S + . . . . ? 0.623 129.8 51.6 -64.4 -12.4 19.1 -21.6 -56.4 +8IRA M 157 LYS T . 3 . . . S - . . . . ? 0.244 123.3 -103.1 -103.3 11.6 15.3 -21.5 -56.3 +8IRA M 158 GLY S . < . . . S + . . . . ? 0.595 75.1 139.6 83.5 13.2 15.0 -22.8 -59.9 +8IRA M 159 ARG B . . . . . . + AN CY BN . ? -0.677 19.4 145.7 -91.8 145.1 14.2 -19.5 -61.6 +8IRA M 160 GLY . . . . . . . - . . . . ? -0.875 49.7 -109.1 -159.1 -171.9 15.7 -18.6 -64.9 +8IRA M 161 LEU S . . . . . S + . . . . ? 0.907 111.1 17.6 -97.0 -66.1 15.2 -16.8 -68.3 +8IRA M 162 ALA S . . . . . S + . . . . ? 0.507 140.1 17.6 -87.9 -7.0 14.9 -19.5 -71.0 +8IRA M 163 SER S . . . . . S + . . . . ? -0.934 92.1 56.1 -149.8 169.1 14.1 -22.1 -68.4 +8IRA M 164 GLY S . . . . . S - . . . . ? -0.231 83.9 -39.2 102.8 173.1 13.0 -22.3 -64.8 +8IRA M 165 TYR B . . . . . . - AN CZ BN . ? -0.392 40.6 -145.9 -67.6 153.7 10.2 -21.2 -62.6 +8IRA M 166 ASP S . . . . . S + . . . . ? 0.189 75.8 32.1 -109.1 17.1 8.8 -17.7 -63.2 +8IRA M 167 SER S . . . . . S - . . . . ? -0.937 94.7 -82.6 -159.7 173.0 8.0 -17.0 -59.5 +8IRA M 168 ALA . . > . . . . - . . . . ? -0.677 43.7 -179.2 -87.1 84.2 9.0 -17.6 -55.9 +8IRA M 169 ILE T . 3 . . . S + . . . . ? 0.694 75.0 63.4 -63.3 -22.4 7.2 -21.0 -55.5 +8IRA M 170 ALA T . 3 . . . S + . . . . ? 0.623 102.9 51.4 -74.3 -17.2 8.3 -21.4 -51.8 +8IRA M 171 LEU S . X . . . S + . . . . ? -0.650 72.6 175.8 -117.2 69.4 6.2 -18.3 -50.9 +8IRA M 172 PRO T . 3 . . . S + . . . . ? 0.789 78.4 27.1 -48.1 -41.0 2.9 -19.2 -52.5 +8IRA M 173 GLN T . 3 . . . S + . . . . ? 0.033 87.8 125.1 -120.7 26.5 0.9 -16.1 -51.3 +8IRA M 174 ALA S . < . . . S - . . . . ? -0.511 76.3 -94.3 -71.8 151.9 3.6 -13.5 -51.0 +8IRA M 175 LYS . . > . . . . - . . . . ? -0.615 33.7 -152.8 -69.4 120.3 3.1 -10.3 -52.9 +8IRA M 176 GLU G . > . . . S + . . . . ? 0.818 82.7 73.0 -66.3 -35.1 4.9 -10.8 -56.2 +8IRA M 177 GLU G . > . . . S + . . . . ? 0.787 93.0 54.5 -53.1 -36.2 5.6 -7.1 -56.9 +8IRA M 178 GLU G . < . . . S + . . . . ? 0.668 113.1 43.3 -73.5 -17.3 8.3 -6.9 -54.2 +8IRA M 179 LEU G . X > . . S + . . . . ? 0.240 78.4 108.2 -112.0 8.5 10.2 -9.9 -55.8 +8IRA M 180 ALA H . < > . . S + . . . . ? 0.844 74.8 57.4 -59.5 -37.0 9.9 -8.9 -59.4 +8IRA M 181 ARG H . 3 4 . . S + . . . . ? 0.797 114.9 37.8 -67.7 -28.0 13.6 -7.9 -59.7 +8IRA M 182 ALA H . < 4 . . S + . . . . ? 0.689 117.7 49.3 -91.7 -25.5 14.6 -11.4 -58.6 +8IRA M 183 ASN H . . < . . S + . . . . ? 0.826 102.3 63.1 -82.9 -35.4 11.9 -13.4 -60.4 +8IRA M 184 VAL S . . < . . S - . . . . ? -0.822 77.4 -152.8 -100.0 103.7 12.3 -11.8 -63.8 +8IRA M 185 LYS . . . . . . . - . . . . ? -0.520 9.2 -161.3 -76.5 141.4 15.8 -12.6 -65.2 +8IRA M 186 ARG . . . . . . . - . . . . ? -0.978 12.6 -140.2 -127.2 140.4 17.2 -10.1 -67.7 +8IRA M 187 PHE . . . . . . . - . . . . ? -0.881 22.6 -159.2 -102.2 110.6 20.1 -10.7 -70.2 +8IRA M 188 SER . . . . . . . - . . . . ? -0.604 12.5 -171.3 -89.3 151.4 22.4 -7.7 -70.4 +8IRA M 189 LEU E . . . . . . + AK CQ BH . ? -0.891 19.4 166.7 -139.1 109.7 24.7 -6.9 -73.2 +8IRA M 190 THR E . . . . . . - AK CQ BH . ? -0.611 29.2 -113.5 -117.3 175.7 27.1 -4.0 -72.6 +8IRA M 191 LYS E . . . . . . - AK CQ BH . ? -0.837 21.5 -163.3 -113.1 149.9 30.3 -2.6 -74.2 +8IRA M 192 GLY E . . . . . . - AK CQ BH . ? -0.883 11.5 -136.0 -126.2 162.9 33.9 -2.4 -73.0 +8IRA M 193 GLN E . . . . . . - AK CQ BH BI ? -0.936 18.7 -172.6 -118.7 140.3 36.9 -0.4 -74.1 +8IRA M 194 ILE E . . . . . . - AK CQ BH BI ? -0.997 11.8 -160.9 -134.0 140.7 40.5 -1.7 -74.6 +8IRA M 195 SER E . . . . . . - AK CQ BH BI ? -0.983 5.9 -163.8 -109.9 130.6 43.9 -0.2 -75.2 +8IRA M 196 LEU E . . . . . . - AK CQ BH BI ? -0.965 5.5 -163.8 -112.8 114.0 46.8 -2.3 -76.6 +8IRA M 197 ASN E . . . . . . - AK CQ BH BI ? -0.855 13.3 -142.6 -97.9 103.1 50.1 -0.6 -76.2 +8IRA M 198 VAL E . . . . . . + AK CQ . BI ? -0.482 31.1 162.6 -64.8 130.9 52.8 -2.2 -78.4 +8IRA M 199 ALA E . . . . . . + AK CQ . . ? 0.539 62.0 35.4 -124.2 -24.0 56.1 -2.3 -76.6 +8IRA M 200 LYS E . . . . . . - AK CQ . BI ? -0.999 59.5 -176.4 -139.3 136.4 58.1 -4.9 -78.5 +8IRA M 201 VAL E . . . . . . - AK CQ BA BI ? -0.999 15.9 -160.2 -133.7 129.4 58.2 -5.8 -82.2 +8IRA M 202 ASP E . . > > . . - AK CQ . BI ? -0.955 13.2 -166.2 -101.6 107.8 60.0 -8.6 -84.0 +8IRA M 203 GLY T . . 4 5 . S + . . . . ? 0.693 81.7 49.0 -69.2 -24.4 60.0 -7.3 -87.6 +8IRA M 204 ARG T . . 4 5 . S + . . . . ? 0.869 119.2 34.8 -86.6 -37.5 61.1 -10.6 -89.2 +8IRA M 205 THR T . . 4 5 . S - . . . . ? 0.754 100.5 -126.3 -85.2 -26.8 58.6 -12.9 -87.5 +8IRA M 206 GLY T . . < 5 . . + . . . . ? 0.748 59.7 144.4 80.6 27.6 55.7 -10.4 -87.3 +8IRA M 207 GLU E . . . < . . - AK CR BI BJ ? -0.850 25.1 -177.9 -100.3 133.2 55.3 -10.9 -83.6 +8IRA M 208 ILE E . . . . . . - AK CR BI BJ ? -0.921 3.1 -179.6 -123.2 153.3 54.3 -8.1 -81.3 +8IRA M 209 ALA E . . . . . . + AK CR BI BJ ? -0.956 16.5 128.3 -145.6 165.3 53.9 -7.9 -77.6 +8IRA M 210 GLY E . . . . . . - AK CR BI BJ ? -0.936 50.2 -68.9 177.1 -167.1 52.9 -5.2 -75.1 +8IRA M 211 THR E . . . . . . - AK CR BI BJ ? -0.724 39.0 -159.1 -109.4 166.5 50.6 -4.2 -72.2 +8IRA M 212 PHE E . . . . . . - AK CR BI BJ ? -0.971 11.5 -160.8 -142.4 158.3 46.8 -3.6 -72.3 +8IRA M 213 GLU E . . . . . . + AK CR BI BJ ? -0.986 16.2 178.9 -136.5 130.6 44.2 -1.9 -70.3 +8IRA M 214 SER E . . . . . . - AK CR BI BJ ? -0.976 13.3 -156.1 -132.8 146.0 40.5 -2.8 -70.6 +8IRA M 215 GLU E . . . . . . + AK CR BI BJ ? -0.982 27.9 142.3 -121.2 134.2 37.4 -1.5 -68.9 +8IRA M 216 GLN E . . . . . . - AK CR . BJ ? -0.975 45.9 -94.4 -158.0 168.4 34.1 -3.4 -68.5 +8IRA M 217 LEU E . . . . . . - AK CR . BJ ? -0.615 35.9 -131.2 -87.9 151.4 31.2 -4.1 -66.3 +8IRA M 218 SER . . . . . . . - . . . . ? -0.218 47.0 -54.8 -87.2 -178.9 31.1 -7.2 -64.0 +8IRA M 219 ASP . . . . . . . - . . . . ? -0.290 37.8 -170.1 -58.6 140.6 28.3 -9.7 -63.5 +8IRA M 220 ASP . . . > > . . - . . . . ? 0.283 42.1 -118.5 -112.8 7.2 24.8 -8.3 -62.6 +8IRA M 221 ASP T . > 4 5 . S - . . . . ? 0.930 72.5 -53.6 54.0 50.0 23.3 -11.8 -61.8 +8IRA M 222 MET T . 3 4 5 . S - . . . . ? 0.794 112.7 -42.9 57.1 37.6 20.7 -11.5 -64.6 +8IRA M 223 GLY T . 3 4 5 . S + . . . . ? 0.367 108.5 116.5 98.2 0.7 19.4 -8.1 -63.4 +8IRA M 224 ALA T . < < 5 . S + . . . . ? 0.718 82.8 4.5 -75.9 -24.5 19.3 -8.8 -59.6 +8IRA M 225 HIS S . . . < . S - . . . . ? -0.950 87.0 -83.0 -151.1 169.1 21.9 -6.2 -58.6 +8IRA M 226 GLU P . . . . > . - . . . . ? -0.540 45.3 -123.4 -74.6 141.4 24.0 -3.4 -60.1 +8IRA M 227 PRO P . . . . P . - . . . . ? -0.356 20.4 -123.5 -72.6 163.8 27.3 -4.4 -61.8 +8IRA M 228 HIS P . . . . P . - . . . . ? -0.751 22.4 -113.6 -98.2 154.4 30.7 -3.0 -60.7 +8IRA M 229 GLU E . . . . < . - AK CS . BJ ? -0.771 36.8 -163.0 -82.4 134.5 33.1 -1.2 -63.1 +8IRA M 230 VAL E . . . . . . - AK CS BC BJ ? -0.971 13.5 -159.9 -123.3 138.2 36.2 -3.3 -63.6 +8IRA M 231 LYS E . . . . . . - AK CS BC BJ ? -0.975 13.2 -163.6 -113.5 128.1 39.6 -2.2 -64.9 +8IRA M 232 ILE E . . . . . . - AK CS BC BJ ? -0.960 6.8 -175.6 -117.9 128.3 41.9 -5.0 -66.2 +8IRA M 233 GLN E . . . . . . + AK CS BC BJ ? -0.898 24.3 114.8 -117.9 149.2 45.6 -4.7 -66.8 +8IRA M 234 GLY E . . . . . . - AK CS BC BJ ? -0.958 55.0 -73.9 -179.0 -163.3 48.0 -7.2 -68.3 +8IRA M 235 VAL E . . . . . . - AK CS BC BJ ? -0.825 35.4 -161.0 -116.2 156.4 50.3 -8.2 -71.1 +8IRA M 236 PHE E . . . . . . - AK CS BC BJ ? -0.941 7.3 -162.2 -135.0 158.9 49.4 -9.3 -74.6 +8IRA M 237 TYR E . . . . . . + AK CS BC BJ ? -0.990 11.5 178.0 -135.8 140.4 51.1 -11.1 -77.5 +8IRA M 238 ALA E . . . . . . - AK CS BC BJ ? -0.995 17.8 -152.7 -140.2 142.3 50.1 -11.2 -81.2 +8IRA M 239 SER E . . . . . . - AK CS BC BJ ? -0.982 15.8 -161.9 -111.8 123.4 51.5 -12.8 -84.3 +8IRA M 240 ILE E . . . . . . + AK CS BC . ? -0.799 14.7 170.8 -98.8 144.4 50.7 -11.0 -87.5 +8IRA M 241 GLU E . . . . . . - AK CS BC . ? -0.987 39.7 -95.1 -152.8 149.1 51.1 -12.8 -90.9 +8IRA M 242 PRO E . . . . . . . AK CS BC . ? -0.468 . . -67.8 135.7 50.1 -12.1 -94.5 +8IRA M 243 ALA . . . . . . . . . . . . ? 0.703 . . -109.7 . 46.8 -13.7 -95.5 +8IRA N 1 ASP . . > > . . . . . . . . ? . . . . 117.9 -14.8 -77.4 -63.1 +8IRA N 2 TRP H . 3 > . . . + . . . . ? 0.712 . 66.9 -64.2 -24.6 -12.5 -80.2 -64.0 +8IRA N 3 ARG H . 3 > . . S + . . . . ? 0.806 97.0 54.7 -67.0 -30.5 -9.4 -78.2 -63.2 +8IRA N 4 VAL H . < > . . S + . . . . ? 0.868 110.5 46.0 -68.1 -38.5 -10.3 -78.2 -59.5 +8IRA N 5 LEU H . . X . . S + . . . . ? 0.870 110.3 52.3 -74.0 -40.4 -10.5 -82.0 -59.5 +8IRA N 6 VAL H . . < . . S + . . . . ? 0.787 116.1 42.6 -61.0 -31.7 -7.2 -82.3 -61.4 +8IRA N 7 VAL H . . X . . S + . . . . ? 0.876 117.7 42.4 -83.9 -43.9 -5.6 -80.1 -58.7 +8IRA N 8 LEU H . > X . . S + . . . . ? 0.848 100.5 73.5 -67.8 -36.8 -7.2 -81.6 -55.6 +8IRA N 9 LEU H . 3 X . . S + . . . . ? 0.875 95.0 48.3 -53.4 -50.7 -6.7 -85.2 -56.8 +8IRA N 10 PRO H . 3 > . . S + . . . . ? 0.863 114.6 48.9 -55.9 -34.9 -2.9 -85.3 -56.2 +8IRA N 11 VAL H . < X . . S + . . . . ? 0.903 111.8 47.2 -68.4 -45.4 -3.5 -83.9 -52.7 +8IRA N 12 LEU H . . X . . S + . . . . ? 0.887 109.5 52.3 -67.0 -42.0 -6.3 -86.4 -51.9 +8IRA N 13 LEU H . . X . . S + . . . . ? 0.670 110.5 51.0 -67.9 -19.0 -4.3 -89.4 -53.0 +8IRA N 14 ALA H . . X . . S + . . . . ? 0.827 108.0 50.8 -80.5 -38.8 -1.5 -88.1 -50.8 +8IRA N 15 ALA H . . X . . S + . . . . ? 0.877 113.3 46.2 -61.3 -41.6 -3.9 -87.8 -47.8 +8IRA N 16 GLY H . . X . . S + . . . . ? 0.870 109.8 53.0 -71.0 -39.8 -5.1 -91.4 -48.4 +8IRA N 17 TRP H . . X . . S + . . . . ? 0.836 109.8 48.7 -63.2 -38.7 -1.5 -92.8 -48.8 +8IRA N 18 ALA H . . X . . S + . . . . ? 0.892 110.3 51.5 -65.8 -43.8 -0.5 -91.2 -45.4 +8IRA N 19 VAL H . > X . . S + . . . . ? 0.905 106.1 54.4 -58.0 -47.9 -3.6 -92.6 -43.7 +8IRA N 20 ARG H . 3 < . . S + . . . . ? 0.880 114.4 40.7 -54.3 -43.5 -2.9 -96.2 -45.0 +8IRA N 21 ASN H . 3 < . . S + . . . . ? 0.500 126.1 33.5 -84.6 -9.9 0.7 -96.1 -43.5 +8IRA N 22 ILE H . X X . . S + . . . . ? 0.543 87.6 92.3 -121.9 -13.4 -0.2 -94.4 -40.2 +8IRA N 23 LEU H . 3 X . . S + . . . . ? 0.880 83.6 56.8 -55.0 -44.3 -3.7 -95.6 -39.3 +8IRA N 24 PRO H . 3 > . . S + . . . . ? 0.875 115.3 37.4 -58.1 -37.8 -2.5 -98.5 -37.1 +8IRA N 25 TYR H . < > . . S + . . . . ? 0.706 114.0 57.9 -84.1 -25.4 -0.4 -96.2 -34.9 +8IRA N 26 ALA H . > X . . S + . . . . ? 0.930 108.4 43.8 -67.3 -49.1 -3.1 -93.5 -35.1 +8IRA N 27 VAL H . 3 X . . S + . . . . ? 0.741 114.3 53.3 -67.3 -23.0 -5.8 -95.8 -33.6 +8IRA N 28 LYS H . 3 X . . S + . . . . ? 0.618 109.3 47.5 -85.8 -17.2 -3.2 -96.9 -31.1 +8IRA N 29 GLN H . < X . . S + . . . . ? 0.818 111.9 48.5 -86.0 -41.5 -2.4 -93.3 -30.0 +8IRA N 30 VAL H . . < . . S + . . . . ? 0.882 111.9 51.8 -60.9 -40.9 -6.1 -92.3 -29.7 +8IRA N 31 GLN H . > < . . S + . . . . ? 0.932 104.7 54.4 -63.0 -49.4 -6.6 -95.5 -27.6 +8IRA N 32 LYS H . 3 < . . S + . . . . ? 0.707 103.4 58.3 -53.7 -26.4 -3.7 -94.7 -25.2 +8IRA N 33 LEU T . 3 < . . . . . . . . ? 0.065 . . -94.4 24.3 -5.3 -91.3 -24.5 +8IRA N 34 LEU . . < . . . . . . . . . ? -0.759 . . -136.1 . -8.6 -93.0 -23.3 +8IRA O 1 FME . . . > . . . . . . . . ? . . . . -24.0 21.5 -13.9 -32.2 +8IRA O 2 GLU H . . > . . . + . . . . ? 0.920 . 52.1 -89.3 -36.2 21.0 -17.3 -33.6 +8IRA O 3 THR H . . > . . S + . . . . ? 0.949 111.2 50.4 -54.0 -47.4 24.6 -17.9 -34.5 +8IRA O 4 ILE H . . > . . S + . . . . ? 0.922 110.0 49.9 -57.7 -48.9 25.5 -17.0 -30.9 +8IRA O 5 THR H . . X . . S + . . . . ? 0.930 111.6 47.5 -53.7 -52.7 22.8 -19.4 -29.6 +8IRA O 6 TYR H . . X . . S + . . . . ? 0.888 115.5 44.4 -59.9 -41.3 24.0 -22.3 -31.7 +8IRA O 7 VAL H . . X . . S + . . . . ? 0.882 110.3 56.5 -71.8 -38.2 27.7 -21.8 -30.8 +8IRA O 8 PHE H . . X . . S + . . . . ? 0.943 108.6 45.7 -56.3 -50.7 26.8 -21.3 -27.1 +8IRA O 9 ILE H . . X . . S + . . . . ? 0.921 112.3 51.0 -61.1 -48.5 25.1 -24.6 -26.9 +8IRA O 10 PHE H . . X . . S + . . . . ? 0.937 109.3 51.5 -50.4 -48.0 27.9 -26.4 -28.7 +8IRA O 11 ALA H . . X . . S + . . . . ? 0.867 106.7 53.3 -62.1 -39.4 30.4 -24.8 -26.3 +8IRA O 12 CYS H . . X . . S + . . . . ? 0.884 107.7 51.9 -60.4 -40.9 28.4 -26.0 -23.3 +8IRA O 13 ILE H . . X . . S + . . . . ? 0.925 108.3 49.7 -63.3 -46.2 28.5 -29.6 -24.6 +8IRA O 14 ILE H . . X . . S + . . . . ? 0.940 112.2 49.3 -59.3 -44.6 32.3 -29.5 -25.1 +8IRA O 15 ALA H . . X . . S + . . . . ? 0.905 107.3 54.5 -57.7 -45.5 32.6 -28.2 -21.5 +8IRA O 16 LEU H . . X . . S + . . . . ? 0.879 103.8 55.4 -56.8 -41.9 30.3 -31.0 -20.3 +8IRA O 17 PHE H . . X . . S + . . . . ? 0.905 105.2 54.8 -55.2 -42.3 32.6 -33.6 -21.9 +8IRA O 18 PHE H . . X . . S + . . . . ? 0.933 112.9 39.2 -56.2 -52.6 35.4 -32.1 -19.9 +8IRA O 19 PHE H . . X . . S + . . . . ? 0.850 112.8 57.2 -69.3 -34.9 33.7 -32.6 -16.5 +8IRA O 20 ALA H . . < . . S + . . . . ? 0.799 115.8 35.7 -69.1 -29.9 32.2 -35.9 -17.5 +8IRA O 21 ILE H . > < . . S + . . . . ? 0.940 130.3 26.8 -85.3 -54.3 35.7 -37.4 -18.2 +8IRA O 22 PHE H . 3 < . . S + . . . . ? 0.736 127.7 40.5 -89.6 -25.0 37.9 -35.7 -15.6 +8IRA O 23 PHE T . 3 < . . S + . . . . ? -0.213 84.4 136.8 -117.4 43.7 35.4 -35.0 -12.8 +8IRA O 24 ARG S . < . . > S - . . . . ? -0.412 70.8 -93.5 -78.1 159.0 33.4 -38.3 -13.1 +8IRA O 25 GLU P . . . . P . - . . . . ? -0.682 55.0 -119.5 -67.3 117.5 32.3 -40.3 -10.1 +8IRA O 26 PRO P . . . . P . - . . . . ? -0.433 20.1 -117.7 -66.8 134.1 35.3 -42.7 -9.9 +8IRA O 27 PRO P . . . . < . - . . . . ? -0.612 33.6 -164.7 -67.9 128.5 34.4 -46.4 -10.3 +8IRA O 28 ARG . . . . . . . - . . . . ? -0.958 14.4 -125.2 -120.1 135.0 35.4 -48.3 -7.1 +8IRA O 29 ILE . . . . . . . . . . . . ? -0.614 . . -84.3 134.8 35.7 -52.1 -6.8 +8IRA O 30 THR . . . . . . . . . . . . ? -0.881 . . -140.0 . 33.9 -54.1 -4.2 +8IRA P 1 LEU . . . . . . . . . . . . ? . . . . 107.1 10.3 -6.1 -66.1 +8IRA P 2 VAL . . . . . . . - . . . . ? -0.994 . -121.6 -136.8 137.4 9.5 -8.7 -68.7 +8IRA P 3 ASN . . . > . . . - . . . . ? -0.742 25.2 -155.0 -75.1 117.7 11.0 -12.1 -69.6 +8IRA P 4 VAL H . . > . . S + . . . . ? 0.681 87.8 57.6 -75.6 -22.2 12.0 -11.5 -73.2 +8IRA P 5 VAL H . . > . . S + . . . . ? 0.909 108.0 46.2 -75.3 -44.0 11.8 -15.2 -74.1 +8IRA P 6 ASP H . . 4 . . S + . . . . ? 0.885 112.0 52.8 -58.4 -42.5 8.2 -15.5 -73.0 +8IRA P 7 GLU H . > < . . S + . . . . ? 0.874 104.8 55.2 -59.8 -41.1 7.5 -12.3 -74.9 +8IRA P 8 LYS H . > < . . S + . . . . ? 0.804 96.0 65.7 -64.5 -32.4 9.1 -13.8 -78.1 +8IRA P 9 LEU T . 3 < . . S + . . . . ? 0.675 94.2 61.3 -64.4 -18.1 6.7 -16.8 -77.9 +8IRA P 10 GLY T . < . . . S + . . . . ? 0.455 100.3 66.9 -82.9 -2.8 3.9 -14.3 -78.6 +8IRA P 11 THR S . X . . . S - . . . . ? -0.356 113.1 -78.0 -104.2 -172.9 5.5 -13.4 -81.9 +8IRA P 12 ALA G . > > . . S + . . . . ? 0.719 122.9 76.2 -61.0 -22.7 5.9 -15.5 -85.1 +8IRA P 13 TYR G . 3 4 . . S + . . . . ? 0.781 89.3 58.6 -54.0 -31.8 8.9 -17.1 -83.3 +8IRA P 14 GLY G . < 4 . . S + . . . . ? 0.503 117.9 27.7 -78.0 -6.2 6.2 -19.1 -81.4 +8IRA P 15 GLU T . < 4 . . S + . . . . ? 0.602 120.8 29.5 -130.1 -20.0 4.7 -20.6 -84.5 +8IRA P 16 LYS S . . < . . S - . . . . ? -0.812 91.0 -79.4 -133.6 173.9 7.3 -20.9 -87.2 +8IRA P 17 ILE E . . . . . . - AO DA BO . ? -0.708 43.6 -146.9 -76.2 111.3 11.1 -21.3 -87.7 +8IRA P 18 ASP E . > > . . . - AO DA BO . ? -0.735 1.8 -154.4 -81.6 115.6 12.6 -17.9 -87.1 +8IRA P 19 LEU T . 3 4 . . S + . . . . ? 0.734 92.9 48.0 -63.7 -21.9 15.6 -17.6 -89.3 +8IRA P 20 ASN T . 3 4 . . S + . . . . ? 0.463 129.7 9.0 -96.3 -7.2 17.2 -15.1 -86.9 +8IRA P 21 ASN T . < 4 . . S + . . . . ? 0.602 87.6 110.0 -142.9 -37.2 16.7 -16.8 -83.6 +8IRA P 22 THR S . . < . . S - . . . . ? -0.242 70.7 -105.3 -66.7 142.0 15.5 -20.4 -83.6 +8IRA P 23 ASN . . > . . . . - . . . . ? -0.335 30.8 -115.4 -62.4 145.5 17.8 -23.2 -82.6 +8IRA P 24 ILE G . > . . . S + . . . . ? 0.675 107.8 71.3 -61.7 -26.1 19.1 -25.3 -85.5 +8IRA P 25 ALA G . > . . . S + . . . . ? 0.710 82.5 74.3 -66.0 -18.6 17.4 -28.5 -84.5 +8IRA P 26 ALA G . X . . . S + . . . . ? 0.767 80.8 71.4 -62.8 -25.1 14.1 -27.0 -85.5 +8IRA P 27 PHE G . X . . . S + . . . . ? 0.501 77.9 77.1 -75.0 -4.7 15.0 -27.5 -89.2 +8IRA P 28 ILE G . < . . . S + . . . . ? 0.661 75.4 80.7 -73.0 -15.2 14.5 -31.2 -88.8 +8IRA P 29 GLN G . < . . . S + . . . . ? 0.632 93.7 46.3 -66.4 -18.6 10.8 -30.6 -89.0 +8IRA P 30 TYR S . X . . . S - . . . . ? -0.917 96.0 -90.1 -129.8 155.7 10.8 -30.3 -92.8 +8IRA P 31 ARG T . 3 . . . S + . . . . ? -0.368 98.5 2.0 -69.4 133.1 12.3 -32.4 -95.6 +8IRA P 32 GLY T . 3 . . . S + . . . . ? 0.472 97.5 100.9 83.8 6.3 15.8 -31.6 -96.9 +8IRA P 33 LEU . . < . > . . + . . . . ? 0.706 57.5 104.8 -96.7 -24.6 16.8 -28.7 -94.6 +8IRA P 34 TYR T . . . 5 . S - . . . . ? -0.928 85.0 -10.0 -121.5 138.8 19.0 -30.4 -92.0 +8IRA P 35 PRO T . . > 5 . S + . . . . ? -0.976 131.1 39.4 -88.8 -18.2 21.9 -30.5 -91.6 +8IRA P 36 THR H . . > 5 . S + . . . . ? 0.910 122.3 34.5 -64.7 -54.5 23.3 -28.8 -94.7 +8IRA P 37 LEU H . . > 5 . S + . . . . ? 0.880 116.1 57.3 -67.2 -38.7 20.9 -25.9 -95.4 +8IRA P 38 ALA H . . > < . S + . . . . ? 0.900 105.9 50.4 -56.8 -44.1 20.3 -25.4 -91.7 +8IRA P 39 LYS H . . X . . S + . . . . ? 0.933 113.1 45.5 -59.7 -47.9 24.0 -24.8 -91.2 +8IRA P 40 LEU H . . X . . S + . . . . ? 0.899 112.1 51.9 -63.3 -42.7 24.1 -22.3 -94.0 +8IRA P 41 ILE H . . < . . S + . . . . ? 0.909 114.1 42.0 -60.4 -46.5 21.0 -20.5 -92.8 +8IRA P 42 VAL H . > < . . S + . . . . ? 0.888 113.1 53.0 -71.7 -39.1 22.3 -20.1 -89.2 +8IRA P 43 LYS H . 3 < . . S + . . . . ? 0.905 113.2 43.8 -61.3 -41.1 25.8 -19.1 -90.3 +8IRA P 44 ASN T . 3 < . . S + . . . . ? 0.333 97.5 150.3 -93.4 7.7 24.5 -16.3 -92.6 +8IRA P 45 ALA . . < . . . . + . . . . ? -0.357 24.4 71.5 -71.9 161.3 21.9 -14.9 -90.3 +8IRA P 46 PRO . . . . . . . - . . . . ? 0.540 58.5 -174.5 -85.7 172.3 20.5 -12.4 -89.5 +8IRA P 47 TYR . . . . . . . - . . . . ? -0.930 27.2 -147.8 -125.8 144.7 18.0 -11.6 -92.4 +8IRA P 48 GLU S . . . . . S + . . . . ? 0.815 88.0 8.9 -80.5 -33.4 15.8 -8.6 -92.9 +8IRA P 49 SER S . > . . . S - . . . . ? -0.955 78.4 -108.8 -142.8 164.7 13.1 -10.7 -94.7 +8IRA P 50 VAL G . > . . . S + . . . . ? 0.879 114.0 60.0 -59.5 -42.1 12.4 -14.4 -95.3 +8IRA P 51 GLU G . > . . . S + . . . . ? 0.676 85.5 77.5 -62.9 -21.6 13.3 -14.2 -99.0 +8IRA P 52 ASP G . X . . . S + . . . . ? 0.733 76.8 75.7 -61.0 -23.0 16.8 -13.0 -98.2 +8IRA P 53 VAL G . X . . . S + . . . . ? 0.776 84.8 64.7 -59.2 -27.1 17.7 -16.6 -97.4 +8IRA P 54 LEU G . < . . . S + . . . . ? 0.599 92.0 64.4 -71.3 -12.3 17.7 -17.3 -101.2 +8IRA P 55 ASN G . < . . . . + . . . . ? 0.249 66.1 132.5 -96.6 10.4 20.7 -14.9 -101.5 +8IRA P 56 ILE . . X . . . . - . . . . ? -0.459 65.8 -110.6 -61.0 124.9 23.1 -17.1 -99.5 +8IRA P 57 PRO T . 3 . . . S + . . . . ? -0.351 93.4 18.2 -61.8 138.6 26.3 -17.3 -101.6 +8IRA P 58 GLY T . 3 . . . S + . . . . ? 0.484 79.6 153.8 86.6 5.4 27.1 -20.6 -103.3 +8IRA P 59 LEU . . < . . . . - . . . . ? -0.393 41.3 -126.7 -62.7 142.0 23.7 -22.3 -103.0 +8IRA P 60 THR . . . > . . . - . . . . ? -0.337 25.3 -107.7 -77.4 170.6 23.0 -25.0 -105.7 +8IRA P 61 GLU H . . > . . S + . . . . ? 0.871 121.4 53.0 -68.4 -36.7 19.9 -24.8 -107.8 +8IRA P 62 ARG H . . > . . S + . . . . ? 0.869 106.7 52.9 -65.0 -38.0 18.4 -27.7 -105.9 +8IRA P 63 GLN H . . > . . S + . . . . ? 0.910 107.3 51.0 -65.0 -42.3 19.0 -26.0 -102.6 +8IRA P 64 LYS H . . X . . S + . . . . ? 0.826 109.2 52.6 -62.2 -33.4 17.2 -22.8 -103.8 +8IRA P 65 GLN H . . X . . S + . . . . ? 0.928 109.1 48.2 -67.4 -46.6 14.3 -25.0 -104.8 +8IRA P 66 ILE H . . X . . S + . . . . ? 0.888 111.7 50.5 -60.0 -41.8 14.1 -26.6 -101.3 +8IRA P 67 LEU H . . < . . S + . . . . ? 0.898 108.7 52.0 -64.5 -40.7 14.3 -23.1 -99.7 +8IRA P 68 ARG H . > < . . S + . . . . ? 0.890 106.5 53.3 -62.3 -41.4 11.4 -21.9 -102.0 +8IRA P 69 GLU H . 3 < . . S + . . . . ? 0.776 114.7 42.4 -60.8 -28.5 9.2 -24.8 -101.0 +8IRA P 70 ASN T . > < . . S + . . . . ? 0.287 78.0 102.9 -107.6 7.4 9.7 -24.0 -97.3 +8IRA P 71 LEU G . X . . . S + . . . . ? 0.890 77.6 61.0 -59.4 -40.7 9.4 -20.2 -97.2 +8IRA P 72 GLU G . 3 . . . S + . . . . ? 0.732 101.9 54.2 -58.6 -23.8 5.9 -20.4 -95.8 +8IRA P 73 HIS G . < . . . S + . . . . ? 0.460 101.0 78.8 -86.1 -3.8 7.3 -22.3 -92.8 +8IRA P 74 PHE E . < . . . . + AO DB BO . ? -0.671 50.2 170.2 -105.4 159.0 9.8 -19.5 -92.1 +8IRA P 75 THR E . . . . . . - AO DB BO . ? -0.924 19.9 -139.8 -147.2 170.9 9.6 -16.1 -90.4 +8IRA P 76 VAL . . . . . . . + . . . . ? -0.996 21.1 168.9 -134.2 139.7 12.0 -13.4 -89.2 +8IRA P 77 THR . . . . . . . - . . . . ? -0.897 49.8 -64.7 -134.3 169.3 11.9 -11.3 -86.0 +8IRA P 78 GLU P . . . . > . - . . . . ? -0.218 63.4 -96.7 -52.3 138.8 14.4 -9.0 -84.3 +8IRA P 79 VAL P . . . . P . - . . . . ? -0.436 36.8 -151.0 -58.1 125.5 17.6 -10.8 -83.1 +8IRA P 80 GLU P . > > . < . - . . . . ? -0.937 4.3 -149.2 -103.5 117.4 17.1 -11.5 -79.4 +8IRA P 81 THR H . 3 > . . S + . . . . ? 0.817 93.7 60.8 -53.7 -38.7 20.5 -11.6 -77.6 +8IRA P 82 ALA H . 3 4 . . S + . . . . ? 0.699 108.6 42.9 -66.1 -22.6 19.3 -14.2 -75.1 +8IRA P 83 LEU H . < 4 . . S + . . . . ? 0.687 119.1 40.2 -94.2 -21.9 18.6 -16.8 -77.8 +8IRA P 84 VAL H . > < . . S + . . . . ? 0.627 94.6 87.6 -108.2 -18.8 21.7 -16.3 -79.9 +8IRA P 85 GLU G . > < . . S + . . . . ? -0.242 80.4 39.4 -73.8 169.6 24.5 -15.8 -77.4 +8IRA P 86 GLY G . 3 . . . S - . . . . ? 0.560 125.2 -82.9 67.7 10.2 26.3 -18.8 -75.9 +8IRA P 87 GLY G . X > . . S + . . . . ? 0.774 86.4 152.6 61.0 27.3 26.3 -20.4 -79.4 +8IRA P 88 ASP T . < 4 . . . + . . . . ? 0.666 56.1 68.1 -71.4 -17.5 22.8 -21.5 -78.3 +8IRA P 89 ARG T . 3 4 . . S + . . . . ? 0.661 108.3 40.9 -71.0 -15.9 21.4 -21.6 -81.9 +8IRA P 90 TYR T . < 4 . . S + . . . . ? 0.705 137.9 4.6 -97.4 -29.8 23.7 -24.6 -82.3 +8IRA P 91 ASN . . . < . . . + . . . . ? -0.792 59.3 178.5 -160.1 108.7 23.2 -26.3 -79.0 +8IRA P 92 ASN . . . . . . . - . . . . ? 0.127 57.8 -99.7 -107.0 18.3 20.6 -24.9 -76.5 +8IRA P 93 GLY S . . . . . S + . . . . ? 0.412 88.7 117.6 84.2 -1.9 21.0 -27.5 -73.7 +8IRA P 94 LEU . . . . . . . + . . . . ? -0.893 24.2 148.6 -103.1 122.9 17.9 -29.4 -74.8 +8IRA P 95 TYR . . . . . . . . . . . . ? 0.221 . . -111.7 -122.7 18.4 -33.0 -75.9 +8IRA P 96 LYS . . . . . . . . . . . . ? -0.833 . . -96.4 . 15.6 -35.6 -75.3 +8IRA Q 1 ALA . . . . . . . . . . . . ? . . . . 138.8 -3.6 -57.2 -76.6 +8IRA Q 2 GLU . . . . . . . - . . . . ? -0.884 . -101.1 -137.2 161.3 -1.6 -59.5 -78.8 +8IRA Q 3 LEU . . . . . . . + . . . . ? -0.729 57.6 178.4 -86.3 90.7 1.1 -59.3 -81.5 +8IRA Q 4 THR . . . > . . . - . . . . ? -0.368 46.0 -104.2 -91.5 168.0 -1.2 -59.8 -84.5 +8IRA Q 5 PRO T . . 4 . . S + . . . . ? 0.825 121.0 61.2 -56.2 -32.1 -0.5 -59.8 -88.3 +8IRA Q 6 GLU T . > 4 . . S + . . . . ? 0.942 106.0 44.1 -60.0 -49.5 -2.0 -56.3 -88.4 +8IRA Q 7 VAL T . 3 4 . . S + . . . . ? 0.863 112.8 53.2 -61.2 -38.5 0.7 -55.0 -86.0 +8IRA Q 8 LEU T . 3 < . . S + . . . . ? 0.323 86.0 100.4 -83.4 5.6 3.3 -56.9 -88.0 +8IRA Q 9 THR E . < . . . . + AP DC BP . ? -0.861 50.3 164.2 -96.5 122.4 2.3 -55.3 -91.4 +8IRA Q 10 VAL E . . . . . . - AP DC BP . ? -0.874 44.0 -79.8 -133.9 160.1 4.6 -52.5 -92.4 +8IRA Q 11 PRO E . . . . . . - AP DC BP . ? -0.471 31.2 -169.2 -62.7 128.8 5.4 -50.5 -95.5 +8IRA Q 12 LEU S . . . . . S - . . . . ? 0.864 70.5 -5.3 -81.9 -43.4 7.8 -52.3 -97.9 +8IRA Q 13 ASN S . > . . . S - . . . . ? -0.792 77.1 -95.4 -140.6 -179.8 8.5 -49.3 -100.1 +8IRA Q 14 SER T . 3 . . . S + . . . . ? 0.630 111.8 73.6 -77.3 -14.2 7.4 -45.7 -100.7 +8IRA Q 15 GLU T . 3 . . . S - . . . . ? 0.466 117.3 -103.5 -80.0 -2.7 4.9 -46.7 -103.3 +8IRA Q 16 GLY S . < . . . S + . . . . ? 0.264 71.5 142.6 105.5 -9.6 2.6 -48.1 -100.6 +8IRA Q 17 LYS . . . . . . . - . . . . ? -0.399 35.7 -151.9 -63.1 140.3 3.2 -51.9 -100.9 +8IRA Q 18 THR E . . . . . . - AP DD BP . ? -0.719 10.6 -157.2 -110.8 161.1 3.2 -53.6 -97.6 +8IRA Q 19 ILE E . . . . . . - AP DD BP . ? -0.968 14.4 -137.5 -131.6 148.4 4.8 -56.8 -96.2 +8IRA Q 20 THR E . . . . . . - AP DD BP . ? -0.952 19.6 -148.7 -109.3 120.2 3.7 -58.8 -93.2 +8IRA Q 21 LEU . . . . . . . - . . . . ? -0.515 14.2 -119.3 -83.4 152.3 6.4 -60.0 -90.9 +8IRA Q 22 THR . . . > . . . - . . . . ? -0.476 25.8 -113.0 -79.2 160.5 6.3 -63.3 -88.9 +8IRA Q 23 GLU H . . > . . S + . . . . ? 0.867 121.3 55.5 -58.4 -35.8 6.5 -63.2 -85.1 +8IRA Q 24 LYS H . . > . . S + . . . . ? 0.898 105.6 49.7 -66.3 -41.7 9.9 -64.9 -85.6 +8IRA Q 25 GLN H . . > . . S + . . . . ? 0.925 110.6 50.5 -60.4 -48.6 11.1 -62.1 -87.8 +8IRA Q 26 TYR H . . X . . S + . . . . ? 0.938 113.5 44.2 -52.9 -52.8 10.0 -59.5 -85.3 +8IRA Q 27 LEU H . . X . . S + . . . . ? 0.828 113.5 51.2 -65.7 -34.6 11.8 -61.2 -82.4 +8IRA Q 28 GLU H . . X . . S + . . . . ? 0.889 109.2 51.3 -68.7 -40.2 14.9 -61.8 -84.5 +8IRA Q 29 GLY H . . X . . S + . . . . ? 0.840 108.0 52.3 -62.8 -37.6 14.9 -58.1 -85.5 +8IRA Q 30 LYS H . . X . . S + . . . . ? 0.910 111.5 46.4 -62.8 -44.7 14.7 -57.2 -81.8 +8IRA Q 31 ARG H . . X . . S + . . . . ? 0.897 114.7 46.0 -65.6 -44.9 17.7 -59.4 -81.0 +8IRA Q 32 LEU H . . X . . S + . . . . ? 0.837 110.1 54.3 -69.4 -35.6 19.8 -58.1 -83.9 +8IRA Q 33 PHE H . . X > . S + . . . . ? 0.874 110.4 47.0 -61.9 -42.3 18.9 -54.5 -83.0 +8IRA Q 34 GLN H . . < 5 . S + . . . . ? 0.875 113.8 49.8 -64.5 -38.6 20.1 -55.1 -79.5 +8IRA Q 35 TYR H . . < 5 . S + . . . . ? 0.937 130.1 12.6 -66.3 -47.0 23.3 -56.8 -80.9 +8IRA Q 36 ALA H . . < 5 . S + . . . . ? 0.512 134.9 25.4 -113.6 -10.8 24.3 -54.1 -83.4 +8IRA Q 37 CYS T . > X 5 . S + . . . . ? 0.700 92.2 78.9 -129.5 -33.6 22.3 -50.9 -82.7 +8IRA Q 38 ALA H . 3 > < . S + . . . . ? 0.714 78.0 76.4 -64.7 -25.3 20.9 -50.5 -79.2 +8IRA Q 39 SER H . 3 4 . . S + . . . . ? 0.852 120.3 14.8 -55.6 -34.6 24.2 -49.2 -77.7 +8IRA Q 40 CYS H . < 4 . . S + . . . . ? 0.708 136.2 42.7 -101.8 -30.6 23.4 -45.9 -79.5 +8IRA Q 41 HIS H . > < . . . + . . . . ? 0.199 68.3 155.4 -111.6 16.7 19.7 -46.4 -80.3 +8IRA Q 42 VAL G . > < . . S + . . . . ? -0.127 78.6 4.6 -43.6 128.7 18.1 -47.9 -77.2 +8IRA Q 43 GLY G . 3 . . . S - . . . . ? 0.582 129.8 -67.8 69.5 9.5 14.4 -47.1 -77.1 +8IRA Q 44 GLY G . < . . . S + . . . . ? 0.472 106.8 108.4 88.6 3.7 14.5 -45.4 -80.5 +8IRA Q 45 ILE . . < . . . . - . . . . ? -0.201 67.2 -122.4 -88.9 -172.5 16.6 -42.4 -79.6 +8IRA Q 46 THR . . > . . . . - . . . . ? -0.892 14.5 -164.8 -137.4 109.5 20.2 -41.7 -80.6 +8IRA Q 47 LYS T . 3 . . . S + . . . . ? 0.818 90.2 46.9 -65.4 -33.9 22.6 -41.2 -77.7 +8IRA Q 48 THR T . 3 . . . S + . . . . ? 0.477 132.5 17.1 -90.7 -3.0 25.4 -39.6 -79.9 +8IRA Q 49 ASN . . X . . . . - . . . . ? -0.356 66.8 -177.5 -161.3 77.5 23.0 -37.3 -81.6 +8IRA Q 50 PRO T . 3 . . . S + . . . . ? 0.570 73.9 78.2 -59.7 -10.2 19.7 -36.9 -79.8 +8IRA Q 51 SER T . 3 . . . S + . . . . ? 0.734 91.8 56.7 -66.7 -25.8 18.3 -34.6 -82.5 +8IRA Q 52 LEU . . < . . . . + . . . . ? -0.954 69.5 174.2 -115.3 122.9 17.6 -37.6 -84.7 +8IRA Q 53 ASP . . . . . . . - . . . . ? -0.539 41.7 -112.4 -115.8 179.9 15.4 -40.4 -83.5 +8IRA Q 54 LEU . . . . . . . + . . . . ? -0.010 64.2 137.5 -104.6 25.7 13.9 -43.6 -85.0 +8IRA Q 55 ARG . . . > . . . - . . . . ? -0.482 63.2 -124.6 -65.3 142.0 10.3 -42.4 -84.9 +8IRA Q 56 THR H . . > . . S + . . . . ? 0.872 112.2 55.4 -55.3 -39.5 8.3 -43.3 -88.0 +8IRA Q 57 GLU H . . > . . S + . . . . ? 0.884 109.3 45.8 -63.0 -42.3 7.4 -39.6 -88.4 +8IRA Q 58 THR H . . 4 . . S + . . . . ? 0.901 112.4 50.9 -63.6 -44.6 11.1 -38.6 -88.3 +8IRA Q 59 LEU H . > < . . S + . . . . ? 0.808 104.2 59.0 -64.5 -32.9 12.0 -41.4 -90.8 +8IRA Q 60 ALA H . 3 < . . S + . . . . ? 0.831 105.9 47.8 -63.5 -36.7 9.3 -40.3 -93.2 +8IRA Q 61 LEU T . 3 < . . S + . . . . ? 0.405 90.2 106.6 -91.0 2.3 10.8 -36.8 -93.5 +8IRA Q 62 ALA S . < . . . S - . . . . ? -0.309 81.3 -91.8 -69.5 162.6 14.3 -38.1 -94.1 +8IRA Q 63 THR S . . . . . S + . . . . ? -0.987 118.5 20.0 -122.6 118.8 15.8 -37.9 -97.6 +8IRA Q 64 PRO S . . . . . S - . . . . ? 0.732 118.5 -98.5 -72.5 167.8 15.3 -40.4 -99.2 +8IRA Q 65 PRO . . . . . . . - . . . . ? -0.175 34.6 -172.3 -54.1 139.5 12.3 -41.6 -97.0 +8IRA Q 66 ARG . . . . . . . + . . . . ? 0.190 56.1 104.4 -116.9 14.0 13.3 -44.2 -94.4 +8IRA Q 67 ASP S . . . . . S + . . . . ? -0.141 76.8 56.5 -91.6 39.7 9.7 -45.1 -93.2 +8IRA Q 68 ASN S . . > . . S - . . . . ? -0.954 93.6 -99.7 -161.0 166.0 9.7 -48.4 -95.1 +8IRA Q 69 ILE H . . > . . S + . . . . ? 0.903 118.7 48.9 -62.2 -48.0 11.7 -51.6 -95.3 +8IRA Q 70 GLU H . . > . . S + . . . . ? 0.863 111.0 51.2 -60.9 -40.3 13.6 -50.7 -98.5 +8IRA Q 71 GLY H . . > . . S + . . . . ? 0.877 114.7 42.2 -63.1 -40.7 14.6 -47.3 -97.1 +8IRA Q 72 LEU H . . X . . S + . . . . ? 0.836 112.9 52.0 -78.6 -35.8 15.9 -48.8 -93.9 +8IRA Q 73 VAL H . . X . . S + . . . . ? 0.896 111.1 49.2 -65.2 -41.1 17.7 -51.7 -95.6 +8IRA Q 74 ASP H . > X . . S + . . . . ? 0.896 107.4 55.0 -61.7 -43.8 19.4 -49.1 -97.9 +8IRA Q 75 TYR H . 3 < . . S + . . . . ? 0.828 105.5 51.9 -57.7 -37.0 20.4 -47.0 -94.9 +8IRA Q 76 MET H . 3 < . . S + . . . . ? 0.594 116.0 42.4 -78.8 -14.1 22.1 -50.0 -93.3 +8IRA Q 77 LYS H . < < . . S + . . . . ? 0.810 138.7 3.5 -91.6 -44.5 24.0 -50.5 -96.6 +8IRA Q 78 ASN S . . < . . S - . . . . ? -0.637 78.7 -159.5 -148.1 80.8 24.8 -46.9 -97.3 +8IRA Q 79 PRO . . . . . . . - . . . . ? -0.285 10.2 -171.5 -70.7 148.2 23.8 -44.4 -94.6 +8IRA Q 80 THR B . . . . . . - AQ DE BQ . ? -0.809 30.6 -90.3 -127.8 166.8 23.3 -40.7 -95.4 +8IRA Q 81 THR . . > . . . . - . . . . ? -0.218 56.8 -90.3 -64.6 171.5 22.7 -37.5 -93.4 +8IRA Q 82 TYR T . 3 . . . S + . . . . ? 0.752 129.7 47.1 -64.0 -27.0 19.0 -36.5 -92.9 +8IRA Q 83 ASP T . 3 . . . S - . . . . ? 0.337 109.2 -121.9 -94.4 2.6 19.0 -34.5 -96.1 +8IRA Q 84 GLY S . < . . . S + . . . . ? 0.456 79.9 119.6 74.6 2.8 20.7 -37.3 -98.2 +8IRA Q 85 GLU . . . . . . . + . . . . ? 0.726 69.3 35.2 -78.1 -24.6 23.5 -34.9 -99.1 +8IRA Q 86 GLN S . . . . . S - . . . . ? -0.985 71.0 -130.0 -137.9 142.5 26.4 -36.8 -97.5 +8IRA Q 87 GLU B . . . . . . - AQ DF BQ . ? -0.774 19.9 -176.7 -90.9 131.6 27.4 -40.4 -97.0 +8IRA Q 88 ILE . . > > . . . + . . . . ? 0.102 39.4 125.4 -121.1 21.1 28.4 -41.2 -93.5 +8IRA Q 89 ALA T . 3 4 . . S + . . . . ? 0.772 70.4 65.6 -52.1 -29.6 29.5 -44.9 -93.7 +8IRA Q 90 GLU T . 3 4 . . S + . . . . ? 0.697 117.0 24.3 -67.3 -22.3 32.8 -43.9 -92.1 +8IRA Q 91 VAL T . < 4 . . S + . . . . ? 0.362 118.3 60.6 -125.6 2.5 31.1 -42.9 -88.8 +8IRA Q 92 HIS S . . < . . S - . . . . ? -0.998 91.1 -103.1 -129.7 132.7 27.9 -45.0 -88.9 +8IRA Q 93 PRO . . . . . . . + . . . . ? -0.214 57.2 144.4 -55.6 134.8 27.8 -48.8 -89.0 +8IRA Q 94 SER . . . . . . . - . . . . ? -0.951 63.6 -105.3 -160.1 167.0 26.9 -50.2 -92.4 +8IRA Q 95 LEU S . > . . . S + . . . . ? 0.822 122.7 58.0 -69.2 -32.0 27.7 -53.2 -94.7 +8IRA Q 96 ARG T . 3 . . . S + . . . . ? 0.783 115.0 36.8 -64.6 -29.0 29.8 -50.7 -96.7 +8IRA Q 97 SER T . > > . . S + . . . . ? -0.107 76.7 122.0 -116.1 33.9 31.8 -50.0 -93.5 +8IRA Q 98 ALA T . < 4 . . . + . . . . ? 0.673 67.0 67.9 -71.2 -17.8 31.8 -53.5 -92.1 +8IRA Q 99 ASP T . 3 4 . . S + . . . . ? 0.910 113.1 28.2 -64.1 -40.5 35.6 -53.4 -92.1 +8IRA Q 100 ILE T . < 4 . . S + . . . . ? 0.529 124.0 49.9 -102.4 -10.6 35.7 -50.8 -89.4 +8IRA Q 101 PHE S . > < . . S - . . . . ? -0.794 73.8 -175.6 -119.9 81.8 32.4 -51.7 -87.7 +8IRA Q 102 PRO G . > . . . S + . . . . ? 0.740 71.5 70.6 -59.5 -26.3 33.0 -55.5 -87.3 +8IRA Q 103 LYS G . 3 . . . S + . . . . ? 0.704 92.1 60.7 -64.8 -18.1 29.6 -56.4 -85.9 +8IRA Q 104 MET G . X . . . S + . . . . ? 0.569 84.3 82.7 -81.7 -10.7 28.1 -55.7 -89.3 +8IRA Q 105 ARG T . < . . . S + . . . . ? 0.883 91.3 43.8 -63.5 -45.7 30.2 -58.4 -90.9 +8IRA Q 106 ASN T . 3 . . . S + . . . . ? -0.074 88.1 111.6 -95.8 33.3 28.0 -61.4 -90.0 +8IRA Q 107 LEU . . < . . . . - . . . . ? -0.923 51.9 -160.0 -101.9 130.2 24.7 -59.6 -90.9 +8IRA Q 108 THR . . . > . . . - . . . . ? -0.538 35.1 -98.5 -99.7 170.4 22.9 -61.0 -94.0 +8IRA Q 109 GLU H . . > . . S + . . . . ? 0.882 124.9 53.0 -53.3 -40.7 20.3 -59.4 -96.2 +8IRA Q 110 LYS H . . > . . S + . . . . ? 0.853 104.7 55.8 -68.7 -33.5 17.5 -61.2 -94.4 +8IRA Q 111 ASP H . . > . . S + . . . . ? 0.865 103.9 53.7 -63.5 -39.7 18.9 -59.9 -91.0 +8IRA Q 112 LEU H . . X . . S + . . . . ? 0.879 107.1 51.4 -63.0 -39.4 18.6 -56.3 -92.3 +8IRA Q 113 VAL H . . X . . S + . . . . ? 0.917 110.0 50.1 -62.6 -43.2 15.0 -56.8 -93.2 +8IRA Q 114 ALA H . . X . . S + . . . . ? 0.935 111.8 46.4 -61.8 -48.1 14.4 -58.2 -89.7 +8IRA Q 115 ILE H . . X . . S + . . . . ? 0.908 113.1 50.0 -59.1 -46.5 16.0 -55.2 -88.0 +8IRA Q 116 ALA H . . X . . S + . . . . ? 0.899 108.8 53.4 -57.8 -44.6 14.1 -52.8 -90.3 +8IRA Q 117 GLY H . . X . . S + . . . . ? 0.902 106.9 51.5 -55.7 -45.6 10.9 -54.6 -89.4 +8IRA Q 118 HIS H . . X . . S + . . . . ? 0.907 108.0 51.8 -60.3 -43.4 11.6 -54.1 -85.7 +8IRA Q 119 ILE H . . < . . S + . . . . ? 0.839 114.7 42.4 -64.6 -34.0 12.2 -50.4 -86.1 +8IRA Q 120 LEU H . . < . . S + . . . . ? 0.770 117.6 45.2 -85.4 -26.7 8.9 -50.0 -88.0 +8IRA Q 121 VAL H . > X . . S + . . . . ? 0.875 98.3 69.5 -81.8 -40.5 6.8 -52.2 -85.7 +8IRA Q 122 GLU H . > X . . S + . . . . ? 0.802 94.6 53.2 -56.5 -41.3 8.0 -51.0 -82.3 +8IRA Q 123 PRO H . 3 > . . S + . . . . ? 0.822 103.5 59.2 -59.4 -31.5 6.3 -47.5 -82.4 +8IRA Q 124 LYS H . < 4 . . S + . . . . ? 0.819 115.4 36.1 -65.9 -30.7 3.0 -49.3 -83.2 +8IRA Q 125 ILE H . < < . . S + . . . . ? 0.930 128.3 29.8 -83.2 -55.3 3.4 -51.1 -79.9 +8IRA Q 126 LEU H . > < . . S - . . . . ? 0.559 81.2 -168.5 -90.3 -10.5 5.0 -48.5 -77.6 +8IRA Q 127 GLY G . > < . . S + . . . . ? -0.361 74.4 2.5 56.4 -127.8 3.6 -45.2 -79.0 +8IRA Q 128 ASP G . 3 . . . S + . . . . ? 0.737 121.1 74.6 -64.8 -25.3 5.4 -42.2 -77.6 +8IRA Q 129 LYS G . X > . . S + . . . . ? 0.855 80.8 80.8 -54.4 -38.1 7.8 -44.3 -75.6 +8IRA Q 130 TRP T . < 4 . . S - . . . . ? -0.647 117.6 -3.8 -74.6 118.4 9.6 -45.2 -78.8 +8IRA Q 131 GLY T . 3 4 . . S + . . . . ? 0.513 108.7 108.9 78.2 7.6 11.9 -42.3 -79.6 +8IRA Q 132 GLY T . < 4 . . . - . . . . ? 0.721 63.7 -152.9 -89.4 -25.8 10.6 -40.4 -76.5 +8IRA Q 133 GLY . . > < . . . - . . . . ? -0.294 52.2 -29.3 76.5 -164.2 13.5 -40.6 -74.2 +8IRA Q 134 LYS G . > . . . S + . . . . ? 0.688 122.5 75.5 -63.2 -24.6 13.5 -40.6 -70.4 +8IRA Q 135 VAL G . 3 . . . S + . . . . ? 0.844 105.0 37.5 -55.5 -34.5 10.3 -38.5 -70.1 +8IRA Q 136 TYR G . < . . . . . . . . . ? 0.169 . . -106.8 15.2 8.3 -41.6 -71.1 +8IRA Q 137 TYR . . < . . . . . . . . . ? 0.773 . . -69.0 . 10.2 -44.2 -69.2 +8IRA R 1 THR . . . . . . . . . . . . ? . . . . 152.5 -35.3 -51.8 -44.1 +8IRA R 2 ILE . . . . . . . - . . . . ? -0.761 . -164.0 -95.4 87.9 -32.8 -54.7 -44.5 +8IRA R 3 THR . . . > . . . - . . . . ? -0.241 34.5 -103.7 -64.8 157.5 -30.4 -53.1 -46.9 +8IRA R 4 PRO H . . > . . S + . . . . ? 0.875 123.8 49.4 -48.5 -40.1 -27.9 -55.4 -48.8 +8IRA R 5 SER H . . > . . S + . . . . ? 0.801 105.2 55.2 -75.4 -28.9 -25.1 -54.2 -46.5 +8IRA R 6 LEU H . . > . . S + . . . . ? 0.923 110.4 47.5 -65.8 -41.5 -27.1 -54.8 -43.3 +8IRA R 7 LYS H . . X . . S + . . . . ? 0.946 109.9 53.1 -59.2 -48.6 -27.6 -58.4 -44.5 +8IRA R 8 GLY H . . X . . S + . . . . ? 0.890 106.4 54.2 -50.5 -42.9 -23.8 -58.4 -45.2 +8IRA R 9 PHE H . . X . . S + . . . . ? 0.906 108.0 47.5 -60.4 -45.5 -23.3 -57.3 -41.6 +8IRA R 10 PHE H . . X . . S + . . . . ? 0.885 109.8 53.2 -65.4 -38.8 -25.3 -60.2 -40.2 +8IRA R 11 ILE H . . X . . S + . . . . ? 0.940 110.1 48.7 -59.1 -47.6 -23.5 -62.7 -42.4 +8IRA R 12 GLY H . . X . . S + . . . . ? 0.912 112.3 48.9 -54.4 -44.7 -20.2 -61.3 -41.0 +8IRA R 13 LEU H . . X . . S + . . . . ? 0.927 113.0 45.6 -66.0 -47.6 -21.5 -61.6 -37.5 +8IRA R 14 LEU H . . X . . S + . . . . ? 0.877 111.8 53.1 -62.6 -41.1 -22.7 -65.2 -37.9 +8IRA R 15 SER H . . X . . S + . . . . ? 0.944 110.7 46.1 -58.2 -52.0 -19.5 -66.1 -39.6 +8IRA R 16 GLY H . . X . . S + . . . . ? 0.894 112.8 50.2 -54.9 -45.0 -17.4 -64.7 -36.7 +8IRA R 17 ALA H . . X . . S + . . . . ? 0.911 111.2 48.4 -63.8 -43.1 -19.6 -66.5 -34.1 +8IRA R 18 VAL H . . X . . S + . . . . ? 0.919 112.6 48.1 -64.4 -45.0 -19.3 -69.8 -35.9 +8IRA R 19 VAL H . . X . . S + . . . . ? 0.950 117.0 42.7 -60.8 -48.7 -15.6 -69.5 -36.2 +8IRA R 20 LEU H . . X . . S + . . . . ? 0.912 113.9 52.5 -60.4 -47.3 -15.3 -68.6 -32.5 +8IRA R 21 GLY H . . X . . S + . . . . ? 0.950 111.5 44.1 -53.9 -56.7 -17.9 -71.2 -31.5 +8IRA R 22 LEU H . . X . . S + . . . . ? 0.917 112.0 54.6 -55.6 -49.1 -16.1 -74.1 -33.2 +8IRA R 23 THR H . . X . . S + . . . . ? 0.958 114.2 39.2 -49.3 -58.8 -12.7 -72.9 -31.9 +8IRA R 24 PHE H . . X . . S + . . . . ? 0.871 114.1 54.8 -65.3 -37.0 -13.9 -72.9 -28.3 +8IRA R 25 ALA H . . X . . S + . . . . ? 0.952 111.8 43.8 -58.6 -51.0 -15.9 -76.1 -28.7 +8IRA R 26 VAL H . . X . . S + . . . . ? 0.945 115.3 48.5 -59.7 -49.9 -12.8 -78.0 -30.0 +8IRA R 27 LEU H . . X . . S + . . . . ? 0.886 111.8 48.2 -59.2 -44.4 -10.5 -76.6 -27.4 +8IRA R 28 ILE H . . X . . S + . . . . ? 0.923 112.1 51.3 -61.1 -43.2 -12.9 -77.4 -24.5 +8IRA R 29 ALA H . . X . . S + . . . . ? 0.941 113.1 43.3 -59.2 -51.3 -13.3 -80.9 -25.9 +8IRA R 30 ILE H . . X . . S + . . . . ? 0.877 110.4 55.5 -62.4 -43.6 -9.5 -81.5 -26.1 +8IRA R 31 SER H . . < . . S + . . . . ? 0.823 108.7 49.2 -59.9 -33.1 -8.9 -80.0 -22.7 +8IRA R 32 GLN H . . < . . S + . . . . ? 0.860 114.8 43.8 -74.0 -38.4 -11.4 -82.4 -21.2 +8IRA R 33 ILE H . . < . . S + . . . . ? 0.960 116.8 43.3 -68.9 -53.8 -9.8 -85.4 -22.9 +8IRA R 34 ASP S . . < . . S + . . . . ? -0.525 81.5 173.4 -100.5 65.9 -6.1 -84.6 -22.3 +8IRA R 35 LYS P . . . . > . - . . . . ? -0.228 32.8 -110.4 -71.4 159.3 -6.1 -83.5 -18.6 +8IRA R 36 VAL P . . . . P . - . . . . ? -0.686 31.0 -119.6 -87.8 145.1 -3.0 -82.7 -16.6 +8IRA R 37 GLN P . . . . < . . . . . . ? -0.676 . . -84.8 136.2 -2.0 -85.0 -13.7 +8IRA R 38 ARG . . . . . . . . . . . . ? 0.196 . . -135.1 . -1.8 -83.7 -10.2 +8IRA S 1 VAL . . . > . . . . . . . . ? . . . . -48.8 20.9 -78.5 -72.8 +8IRA S 2 ILE H . . > . . . + . . . . ? 0.827 . 57.4 -61.8 -38.3 20.0 -82.0 -71.6 +8IRA S 3 ALA H . . > . . S + . . . . ? 0.942 104.1 49.5 -56.4 -52.1 23.7 -82.5 -72.0 +8IRA S 4 GLN H . . > . . S + . . . . ? 0.893 113.0 46.1 -56.5 -46.1 24.5 -79.7 -69.6 +8IRA S 5 LEU H . . X . . S + . . . . ? 0.767 113.5 49.9 -70.8 -30.6 22.1 -81.0 -66.9 +8IRA S 6 THR H . . X . . S + . . . . ? 0.914 111.7 48.6 -67.2 -46.4 23.4 -84.5 -67.3 +8IRA S 7 MET H . . X . . S + . . . . ? 0.929 112.7 45.7 -61.8 -50.2 27.1 -83.3 -66.9 +8IRA S 8 ILE H . . X . . S + . . . . ? 0.846 111.8 53.6 -66.0 -33.6 26.5 -81.2 -63.8 +8IRA S 9 ALA H . . X . . S + . . . . ? 0.918 112.5 43.4 -63.1 -45.1 24.5 -84.1 -62.3 +8IRA S 10 MET H . . X . . S + . . . . ? 0.904 119.7 41.9 -68.0 -43.9 27.3 -86.5 -62.8 +8IRA S 11 ILE H . . X . . S + . . . . ? 0.890 113.5 55.0 -66.4 -40.7 29.9 -84.1 -61.6 +8IRA S 12 GLY H . . < . . S + . . . . ? 0.758 109.2 46.2 -64.5 -28.5 27.6 -83.0 -58.8 +8IRA S 13 ILE H . . X . . S + . . . . ? 0.747 93.6 78.0 -86.5 -27.2 27.3 -86.5 -57.5 +8IRA S 14 ALA H . . X . . S + . . . . ? 0.860 92.7 52.0 -51.7 -43.6 31.0 -87.4 -57.6 +8IRA S 15 GLY H . > X . . S + . . . . ? 0.974 113.8 38.7 -59.7 -63.5 31.7 -85.5 -54.4 +8IRA S 16 PRO H . 3 > . . S + . . . . ? 0.839 111.7 61.5 -55.3 -34.8 29.1 -87.1 -52.1 +8IRA S 17 MET H . 3 X . . S + . . . . ? 0.874 101.6 51.8 -60.6 -39.9 29.7 -90.4 -53.7 +8IRA S 18 ILE H . < X . . S + . . . . ? 0.952 112.1 45.3 -60.5 -49.9 33.3 -90.3 -52.5 +8IRA S 19 ILE H . . X . . S + . . . . ? 0.891 114.1 50.2 -61.5 -40.1 32.2 -89.6 -48.9 +8IRA S 20 PHE H . . X . . S + . . . . ? 0.897 108.4 51.3 -65.5 -44.6 29.6 -92.3 -49.2 +8IRA S 21 LEU H . . X . . S + . . . . ? 0.876 113.0 46.1 -60.0 -40.3 32.0 -94.9 -50.5 +8IRA S 22 LEU H . . < > . S + . . . . ? 0.852 111.0 52.8 -71.7 -36.2 34.4 -94.1 -47.6 +8IRA S 23 ALA H . > < 5 . S + . . . . ? 0.915 111.6 45.5 -63.5 -44.5 31.5 -94.2 -45.1 +8IRA S 24 VAL H . 3 < 5 . S + . . . . ? 0.913 115.7 45.2 -64.6 -47.1 30.4 -97.7 -46.3 +8IRA S 25 ARG T . 3 < 5 . S - . . . . ? 0.201 111.8 -122.1 -78.8 11.4 34.0 -99.1 -46.3 +8IRA S 26 ARG T . < . 5 . . + . . . . ? 0.897 54.0 170.5 42.7 56.4 34.6 -97.5 -42.9 +8IRA S 27 GLY . . . . < . . - . . . . ? -0.043 47.4 -71.7 -87.2 -169.8 37.5 -95.5 -44.3 +8IRA S 28 ASN . . . . . . . . . . . . ? -0.437 . . -90.2 62.9 39.7 -92.7 -42.9 +8IRA S 29 LEU . . . . . . . . . . . . ? 0.796 . . -69.8 . 37.1 -89.9 -43.1 +8IRA T 1 MET . . . > . . . . . . . . ? . . . . -45.3 40.7 -89.6 -88.0 +8IRA T 2 THR H . . > . . . + . . . . ? 0.847 . 50.8 -55.0 -36.4 38.3 -87.1 -86.4 +8IRA T 3 ILE H . . > . . S + . . . . ? 0.937 106.8 52.0 -68.8 -44.9 36.5 -90.1 -84.8 +8IRA T 4 LEU H . . > . . S + . . . . ? 0.868 112.0 48.5 -59.7 -38.2 39.7 -91.6 -83.5 +8IRA T 5 PHE H . . X . . S + . . . . ? 0.965 111.0 48.4 -60.3 -56.8 40.5 -88.2 -81.9 +8IRA T 6 GLN H . . X . . S + . . . . ? 0.748 112.0 50.9 -59.3 -29.4 37.0 -87.9 -80.3 +8IRA T 7 LEU H . . X . . S + . . . . ? 0.957 109.9 47.7 -69.0 -55.0 37.2 -91.4 -79.0 +8IRA T 8 ALA H . . X . . S + . . . . ? 0.850 114.4 48.5 -52.6 -39.1 40.6 -90.8 -77.3 +8IRA T 9 LEU H . . X . . S + . . . . ? 0.870 112.0 47.0 -72.8 -38.9 39.3 -87.6 -75.8 +8IRA T 10 ALA H . . X . . S + . . . . ? 0.872 110.2 54.9 -67.5 -36.1 36.1 -89.3 -74.6 +8IRA T 11 ALA H . . X . . S + . . . . ? 0.894 107.8 49.6 -61.0 -40.9 38.4 -92.0 -73.2 +8IRA T 12 LEU H . . X . . S + . . . . ? 0.912 110.2 49.8 -63.3 -44.9 40.3 -89.3 -71.3 +8IRA T 13 VAL H . . X . . S + . . . . ? 0.913 113.9 45.5 -60.2 -45.3 37.2 -87.8 -69.9 +8IRA T 14 ILE H . . X . . S + . . . . ? 0.961 113.8 47.9 -62.2 -54.1 35.9 -91.3 -68.7 +8IRA T 15 LEU H . . X . . S + . . . . ? 0.884 111.4 52.2 -54.0 -43.7 39.3 -92.3 -67.2 +8IRA T 16 SER H . . X . . S + . . . . ? 0.927 107.7 50.5 -59.3 -47.2 39.5 -88.9 -65.5 +8IRA T 17 PHE H . . X . . S + . . . . ? 0.821 111.9 48.3 -63.4 -33.3 36.1 -89.3 -63.9 +8IRA T 18 VAL H . . X . . S + . . . . ? 0.900 111.8 49.1 -70.3 -42.6 37.0 -92.7 -62.6 +8IRA T 19 MET H . . X . . S + . . . . ? 0.834 104.8 59.6 -64.6 -35.6 40.3 -91.4 -61.2 +8IRA T 20 VAL H . . < . . S + . . . . ? 0.876 117.6 30.5 -62.1 -40.0 38.5 -88.5 -59.5 +8IRA T 21 ILE H . . X . . S + . . . . ? 0.839 121.8 53.1 -82.8 -37.9 36.4 -91.0 -57.5 +8IRA T 22 GLY H . . X . . S + . . . . ? 0.926 101.6 53.0 -68.0 -51.6 39.0 -93.8 -57.3 +8IRA T 23 VAL H . . X . . S + . . . . ? 0.933 110.5 45.0 -58.0 -54.6 42.1 -92.0 -55.9 +8IRA T 24 PRO H . . > . . S + . . . . ? 0.912 114.9 48.4 -56.1 -45.2 40.5 -90.5 -52.8 +8IRA T 25 VAL H . . < . . S + . . . . ? 0.895 115.4 45.6 -61.8 -42.1 38.7 -93.7 -51.9 +8IRA T 26 ALA H . > < . . S + . . . . ? 0.931 111.6 50.4 -66.2 -48.0 41.9 -95.7 -52.4 +8IRA T 27 TYR H . 3 < . . S + . . . . ? 0.817 114.8 44.3 -61.4 -31.8 44.1 -93.2 -50.4 +8IRA T 28 ALA T . 3 < . . S + . . . . ? 0.239 102.1 75.6 -101.4 10.1 41.7 -93.3 -47.5 +8IRA T 29 SER . . < . . . . - . . . . ? -0.944 48.3 -179.9 -117.7 104.8 41.2 -97.0 -47.5 +8IRA T 30 PRO . . > . . . . + . . . . ? 0.756 60.8 108.4 -65.3 -25.1 44.2 -99.1 -46.0 +8IRA T 31 GLN T . 3 . . . S - . . . . ? -0.421 102.3 -11.8 -50.2 97.1 41.8 -102.0 -46.9 +8IRA T 32 ASP T . 3 > . . S + . . . . ? 0.998 82.1 159.9 61.0 71.8 43.7 -103.4 -49.9 +8IRA T 33 TRP H . < > . . . + . . . . ? 0.803 66.1 59.5 -83.0 -36.8 46.2 -100.6 -50.5 +8IRA T 34 ASP H . . > . . S + . . . . ? 0.750 107.5 43.8 -77.1 -24.8 48.8 -102.6 -52.5 +8IRA T 35 ARG H . . > . . S + . . . . ? 0.891 117.1 49.1 -73.4 -44.3 46.4 -103.6 -55.3 +8IRA T 36 SER H . . X . . S + . . . . ? 0.888 104.4 58.2 -59.9 -43.7 45.2 -99.9 -55.2 +8IRA T 37 LYS H . . X . . S + . . . . ? 0.878 109.3 45.0 -55.0 -42.0 48.7 -98.5 -55.4 +8IRA T 38 GLN H . . X . . S + . . . . ? 0.857 110.9 53.0 -72.4 -38.6 49.4 -100.4 -58.6 +8IRA T 39 LEU H . . X . . S + . . . . ? 0.880 109.5 49.1 -60.6 -42.6 46.0 -99.4 -60.1 +8IRA T 40 ILE H . . X . . S + . . . . ? 0.879 109.5 51.6 -66.1 -41.7 46.8 -95.7 -59.4 +8IRA T 41 PHE H . . X . . S + . . . . ? 0.963 114.0 45.6 -52.5 -52.9 50.2 -96.1 -61.0 +8IRA T 42 LEU H . . X . . S + . . . . ? 0.934 112.6 48.1 -55.7 -55.4 48.4 -97.6 -64.0 +8IRA T 43 GLY H . . X . . S + . . . . ? 0.912 111.4 52.0 -54.4 -46.8 45.7 -95.0 -64.2 +8IRA T 44 SER H . . X . . S + . . . . ? 0.935 111.6 44.8 -54.7 -55.8 48.3 -92.2 -63.9 +8IRA T 45 GLY H . . X . . S + . . . . ? 0.916 115.3 48.4 -53.9 -47.4 50.4 -93.6 -66.8 +8IRA T 46 LEU H . . X . . S + . . . . ? 0.859 110.9 51.1 -63.9 -37.5 47.3 -94.2 -68.9 +8IRA T 47 TRP H . . X . . S + . . . . ? 0.934 111.9 45.7 -64.3 -49.1 46.0 -90.6 -68.2 +8IRA T 48 ILE H . . X . . S + . . . . ? 0.891 112.4 53.2 -59.4 -42.5 49.3 -89.0 -69.2 +8IRA T 49 ALA H . . X . . S + . . . . ? 0.916 109.0 47.2 -60.7 -47.2 49.5 -91.2 -72.3 +8IRA T 50 LEU H . . X . . S + . . . . ? 0.862 109.0 55.6 -63.1 -37.9 46.0 -90.2 -73.4 +8IRA T 51 VAL H . . X . . S + . . . . ? 0.950 111.3 43.2 -59.1 -50.5 46.8 -86.5 -72.8 +8IRA T 52 LEU H . . X . . S + . . . . ? 0.922 114.0 52.2 -61.8 -43.2 49.8 -86.8 -75.1 +8IRA T 53 VAL H . . X . . S + . . . . ? 0.940 113.2 42.5 -58.5 -52.6 47.8 -88.8 -77.7 +8IRA T 54 VAL H . . X . . S + . . . . ? 0.886 111.7 57.8 -57.9 -41.7 45.0 -86.2 -77.8 +8IRA T 55 GLY H . . < . . S + . . . . ? 0.844 112.7 38.2 -58.0 -39.3 47.7 -83.4 -77.8 +8IRA T 56 VAL H . > < . . S + . . . . ? 0.888 113.7 54.7 -79.6 -42.9 49.3 -84.9 -81.0 +8IRA T 57 LEU H . > < . . S + . . . . ? 0.707 91.7 76.7 -65.4 -21.4 45.9 -85.8 -82.6 +8IRA T 58 ASN G . > X . . S + . . . . ? 0.869 88.7 56.9 -48.2 -43.4 44.8 -82.2 -82.2 +8IRA T 59 PHE G . < 4 . . S + . . . . ? 0.529 102.5 54.1 -79.3 -3.1 46.9 -81.1 -85.1 +8IRA T 60 PHE G . < 4 . . S + . . . . ? 0.392 115.0 37.4 -105.1 -0.8 45.2 -83.6 -87.6 +8IRA T 61 VAL T . < 4 . . . . . . . . ? 0.363 . . -126.8 -2.7 41.7 -82.4 -86.9 +8IRA T 62 VAL . . . < . . . . . . . . ? -0.835 . . -115.1 . 42.2 -78.6 -86.5 +8IRA U 1 ALA . . . . . . . . . . . . ? . . . . -41.1 -22.9 -21.2 24.3 +8IRA U 2 ASN . . . > . . . - . . . . ? -0.160 . -101.2 -67.8 168.7 -25.4 -19.4 22.0 +8IRA U 3 LEU H . . > . . S + . . . . ? 0.850 116.3 51.6 -68.8 -42.6 -24.5 -18.5 18.4 +8IRA U 4 TRP H . . > . . S + . . . . ? 0.934 110.2 50.6 -57.2 -47.5 -23.8 -14.8 18.8 +8IRA U 5 GLU H . . > . . S + . . . . ? 0.845 110.6 49.0 -63.8 -36.4 -21.4 -15.4 21.8 +8IRA U 6 ARG H . . X . . S + . . . . ? 0.881 111.8 49.0 -68.5 -41.0 -19.5 -18.0 19.8 +8IRA U 7 PHE H . . X . . S + . . . . ? 0.907 111.1 50.0 -62.3 -44.6 -19.2 -15.7 16.8 +8IRA U 8 CYS H . . X . . S + . . . . ? 0.883 110.1 50.7 -62.0 -42.5 -18.0 -12.9 19.1 +8IRA U 9 ASN H . . < . . S + . . . . ? 0.828 112.4 46.8 -63.8 -35.7 -15.4 -15.2 20.6 +8IRA U 10 TRP H . > < . . S + . . . . ? 0.911 111.1 50.8 -71.5 -46.2 -14.2 -16.2 17.2 +8IRA U 11 VAL H . 3 < . . S + . . . . ? 0.846 118.5 37.6 -59.1 -40.5 -14.0 -12.6 15.8 +8IRA U 12 THR T . 3 < . . S + . . . . ? 0.200 87.8 135.6 -97.8 13.3 -12.0 -11.4 18.8 +8IRA U 13 SER . . X . . . . - . . . . ? -0.452 46.6 -156.3 -69.4 133.0 -9.9 -14.6 19.2 +8IRA U 14 THR T . 3 . . . S + . . . . ? 0.335 88.2 71.6 -84.5 4.5 -6.2 -14.1 19.8 +8IRA U 15 ASP T . 3 . . . . + . . . . ? 0.385 69.5 107.3 -101.0 -0.5 -5.6 -17.6 18.3 +8IRA U 16 ASN S . < . . . S - . . . . ? -0.593 76.1 -128.2 -78.2 142.8 -6.4 -16.7 14.7 +8IRA U 17 ARG S . . . . . S + . . . . ? 0.862 105.5 29.2 -60.1 -36.8 -3.3 -16.6 12.4 +8IRA U 18 LEU S . . . . . S - . . . . ? -0.998 96.8 -122.0 -120.2 127.8 -4.5 -13.2 11.4 +8IRA U 19 TYR . . . . . . . - . . . . ? -0.491 28.9 -179.1 -67.7 132.5 -6.5 -11.2 14.0 +8IRA U 20 VAL . . . > . . . + . . . . ? 0.816 17.1 157.3 -88.7 -81.4 -10.0 -10.3 12.7 +8IRA U 21 GLY H . . > . . . - . . . . ? 0.003 63.9 -66.9 69.1 176.9 -11.7 -8.3 15.4 +8IRA U 22 TRP H . . > . . S + . . . . ? 0.898 137.5 49.9 -72.0 -42.5 -14.5 -5.8 14.9 +8IRA U 23 PHE H . > > . . S + . . . . ? 0.922 107.7 58.2 -55.7 -42.0 -12.5 -3.3 13.0 +8IRA U 24 GLY H . 3 X . . S + . . . . ? 0.809 94.3 64.5 -55.9 -34.5 -11.4 -6.3 10.9 +8IRA U 25 VAL H . 3 < . . S + . . . . ? 0.858 113.8 32.1 -59.0 -39.8 -15.1 -7.0 10.1 +8IRA U 26 ILE H . < X . . S + . . . . ? 0.822 118.5 56.3 -79.5 -38.6 -15.2 -3.7 8.2 +8IRA U 27 MET H . . X . . S + . . . . ? 0.904 101.3 53.7 -64.6 -45.5 -11.6 -3.8 7.0 +8IRA U 28 ILE H . . X . . S + . . . . ? 0.929 110.9 41.8 -64.3 -51.8 -11.5 -7.1 5.2 +8IRA U 29 PRO H . . > . . S + . . . . ? 0.905 117.8 47.7 -60.3 -40.0 -14.5 -6.6 2.8 +8IRA U 30 THR H . . X . . S + . . . . ? 0.924 112.8 46.1 -72.9 -44.0 -13.5 -3.0 2.0 +8IRA U 31 LEU H . . X . . S + . . . . ? 0.863 113.1 52.1 -63.8 -35.1 -9.8 -3.7 1.4 +8IRA U 32 LEU H . . X . . S + . . . . ? 0.944 110.9 46.8 -65.6 -45.6 -10.8 -6.7 -0.8 +8IRA U 33 ALA H . . X . . S + . . . . ? 0.949 114.5 46.5 -59.9 -50.1 -13.2 -4.6 -2.9 +8IRA U 34 ALA H . . X . . S + . . . . ? 0.907 114.9 48.0 -58.0 -42.8 -10.6 -1.9 -3.3 +8IRA U 35 THR H . . X . . S + . . . . ? 0.922 110.8 47.3 -67.8 -48.7 -7.9 -4.4 -4.2 +8IRA U 36 ILE H . . X . . S + . . . . ? 0.925 115.8 45.8 -62.8 -44.2 -9.8 -6.4 -6.7 +8IRA U 37 CYS H . . X . . S + . . . . ? 0.875 111.1 53.3 -64.1 -41.3 -11.0 -3.3 -8.5 +8IRA U 38 PHE H . . X . . S + . . . . ? 0.972 111.4 45.1 -56.0 -53.2 -7.5 -1.7 -8.5 +8IRA U 39 VAL H . . X . . S + . . . . ? 0.910 115.3 46.2 -59.1 -49.2 -5.9 -4.8 -10.1 +8IRA U 40 ILE H . . X . . S + . . . . ? 0.936 116.9 44.6 -61.0 -47.6 -8.6 -5.2 -12.7 +8IRA U 41 ALA H . . X . . S + . . . . ? 0.881 109.4 54.8 -64.6 -43.4 -8.6 -1.4 -13.6 +8IRA U 42 PHE H . . < . . S + . . . . ? 0.908 118.3 36.4 -58.4 -38.5 -4.8 -1.1 -13.6 +8IRA U 43 ILE H . . < . . S + . . . . ? 0.912 137.0 7.4 -77.9 -44.1 -4.6 -4.0 -16.2 +8IRA U 44 ALA H . . < . . S + . . . . ? 0.351 80.1 127.8 -131.1 0.9 -7.7 -3.4 -18.4 +8IRA U 45 ALA P . . < . > . - . . . . ? -0.397 54.7 -123.5 -72.0 141.2 -9.6 -0.2 -17.7 +8IRA U 46 PRO P . . . . P . - . . . . ? -0.307 47.9 -63.4 -74.6 169.2 -10.3 2.0 -20.8 +8IRA U 47 PRO P . . . . < . - . . . . ? -0.214 52.5 -141.2 -57.2 144.1 -9.1 5.7 -21.0 +8IRA U 48 VAL B . . . . . . - AR DG BR . ? -0.893 12.6 -130.5 -115.9 134.3 -10.6 8.2 -18.5 +8IRA U 49 ASP . . > . . . . + . . . . ? -0.527 37.6 171.2 -83.3 77.2 -11.7 11.8 -19.0 +8IRA U 50 ILE T . 3 . . . S + . . . . ? 0.832 71.4 37.9 -60.7 -45.1 -9.9 13.1 -16.0 +8IRA U 51 ASP T . 3 . . . S - . . . . ? 0.276 106.9 -116.7 -97.3 11.3 -10.2 16.9 -16.6 +8IRA U 52 GLY S . < . . . S + . . . . ? 0.709 85.1 113.2 67.2 24.6 -13.8 16.7 -17.9 +8IRA U 53 ILE S . . . . . S - . . . . ? -0.025 93.4 -104.5 -117.0 28.0 -12.8 18.1 -21.3 +8IRA U 54 ARG S . . . . . S + . . . . ? 0.888 86.3 125.0 48.7 45.6 -13.6 14.9 -23.3 +8IRA U 55 GLU . . . . . . . - . . . . ? -0.748 51.9 -153.1 -130.2 78.6 -9.8 14.2 -23.5 +8IRA U 56 PRO P . . . . > . - . . . . ? -0.349 1.5 -144.7 -65.9 134.7 -9.5 10.7 -22.1 +8IRA U 57 VAL B . . . . P . - AR DH BR . ? -0.849 14.0 -129.8 -100.5 132.4 -6.2 9.7 -20.5 +8IRA U 58 SER P . . . . < . + . . . . ? -0.706 37.5 158.9 -87.8 121.3 -4.9 6.1 -20.9 +8IRA U 59 GLY . . . . . . . + . . . . ? 0.522 41.1 88.5 -117.3 -12.5 -3.9 4.5 -17.6 +8IRA U 60 SER S . > . > . S - . . . . ? -0.590 73.7 -123.0 -104.2 157.1 -4.1 0.7 -18.0 +8IRA U 61 LEU G . > > 5 . S + . . . . ? 0.882 110.4 53.8 -60.5 -43.0 -1.5 -1.8 -19.2 +8IRA U 62 LEU G . 3 4 5 . S + . . . . ? 0.700 104.0 57.8 -70.0 -21.4 -3.7 -3.2 -22.1 +8IRA U 63 TYR G . < 4 5 . S - . . . . ? -0.093 135.1 -73.7 -102.6 33.7 -4.1 0.4 -23.5 +8IRA U 64 GLY T . < 4 5 . S + . . . . ? 0.747 90.2 125.2 95.0 27.6 -0.4 1.0 -23.9 +8IRA U 65 ASN . . . < < . . - . . . . ? -0.806 40.6 -153.3 -112.1 155.7 1.0 1.6 -20.4 +8IRA U 66 ASN . . . > . . . - . . . . ? -0.564 45.7 -83.8 -108.1 -175.3 3.9 -0.0 -18.6 +8IRA U 67 ILE T . . 4 . . S + . . . . ? 0.824 127.9 46.3 -59.7 -33.8 4.3 -0.3 -14.8 +8IRA U 68 ILE T . . 4 . . S + . . . . ? 0.827 120.3 35.1 -79.9 -35.4 5.8 3.1 -14.5 +8IRA U 69 THR T . . 4 . . S + . . . . ? 0.883 95.7 102.4 -87.2 -39.4 3.3 5.1 -16.7 +8IRA U 70 GLY . . . < . . . + . . . . ? 0.156 43.7 156.8 -49.7 154.5 0.2 3.1 -15.7 +8IRA U 71 ALA E . . . . . . - AS DI BS . ? -0.971 50.6 -108.9 -162.2 161.1 -2.4 4.4 -13.3 +8IRA U 72 VAL E . . . . > . - AS DI BS . ? -0.964 52.3 -133.2 -89.9 117.8 -6.0 4.3 -12.1 +8IRA U 73 VAL P . . . . P . - . . . . ? -0.541 16.9 -107.9 -77.9 133.8 -7.0 7.7 -13.4 +8IRA U 74 PRO P . . . . P . - . . . . ? -0.068 45.0 -87.9 -51.3 158.7 -9.0 10.1 -11.1 +8IRA U 75 SER P . . . . P . - . . . . ? -0.306 58.7 -74.5 -73.1 159.9 -12.7 10.7 -11.8 +8IRA U 76 SER P . > > . < . - . . . . ? -0.031 25.9 -131.0 -57.2 150.5 -13.9 13.5 -14.2 +8IRA U 77 ASN T . 3 4 . . S + . . . . ? 0.752 107.6 69.5 -66.8 -28.4 -13.8 17.2 -13.4 +8IRA U 78 ALA T . 3 4 . . S + . . . . ? 0.735 101.6 45.8 -61.4 -25.2 -17.4 17.3 -14.6 +8IRA U 79 ILE T . X 4 . . S + . . . . ? 0.777 83.4 171.1 -83.7 -34.7 -18.3 15.2 -11.5 +8IRA U 80 GLY T . 3 < . . S - . . . . ? -0.424 73.2 -17.8 61.2 -120.4 -16.3 17.3 -9.1 +8IRA U 81 LEU T . 3 . . . S + . . . . ? 0.368 102.6 128.7 -98.3 2.1 -17.2 16.2 -5.6 +8IRA U 82 HIS . . < . . . . - . . . . ? -0.280 67.5 -110.4 -61.1 142.7 -20.4 14.4 -6.6 +8IRA U 83 PHE . . . . . . . - . . . . ? -0.638 35.4 -174.1 -78.0 125.9 -20.8 10.8 -5.4 +8IRA U 84 TYR . . . . . . . + . . . . ? -0.608 10.6 166.1 -129.7 69.9 -20.5 8.5 -8.4 +8IRA U 85 PRO . . > . . . . - . . . . ? -0.286 54.1 -97.4 -73.7 170.6 -21.2 4.8 -7.5 +8IRA U 86 ILE G . > . . . S + . . . . ? 0.863 122.5 58.3 -57.2 -38.7 -21.8 2.2 -10.3 +8IRA U 87 TRP G . 3 . . . S + . . . . ? 0.554 94.6 65.2 -75.9 -6.1 -25.6 2.5 -9.9 +8IRA U 88 GLU G . < . . . S + . . . . ? 0.440 92.0 81.3 -90.0 -0.3 -25.5 6.3 -10.7 +8IRA U 89 ALA S . < . . . S - . . . . ? -0.814 78.4 -136.2 -103.8 148.0 -24.3 5.5 -14.2 +8IRA U 90 ALA S . . . . . S - . . . . ? 0.746 89.2 -3.6 -68.9 -24.9 -26.5 4.4 -17.1 +8IRA U 91 SER S . . > . . S - . . . . ? -0.980 70.1 -106.8 -157.9 166.3 -23.9 1.8 -18.0 +8IRA U 92 LEU H . . > . . S + . . . . ? 0.862 119.7 57.9 -61.9 -36.6 -20.5 0.3 -17.0 +8IRA U 93 ASP H . . > . . S + . . . . ? 0.909 108.2 45.4 -63.4 -42.3 -19.1 1.9 -20.2 +8IRA U 94 GLU H . . > . . S + . . . . ? 0.959 112.1 52.1 -60.0 -52.0 -20.3 5.3 -19.0 +8IRA U 95 TRP H . . < > . S + . . . . ? 0.836 111.1 47.3 -54.6 -39.7 -18.9 4.7 -15.5 +8IRA U 96 LEU H . > < 5 . S + . . . . ? 0.899 108.8 53.1 -71.6 -43.0 -15.5 3.7 -16.9 +8IRA U 97 TYR H . 3 < 5 . S + . . . . ? 0.925 111.2 46.5 -57.0 -45.4 -15.2 6.7 -19.2 +8IRA U 98 ASN T . 3 < 5 . S - . . . . ? 0.371 120.2 -106.5 -86.0 2.7 -15.9 9.2 -16.3 +8IRA U 99 GLY T . X > 5 . . + . . . . ? 0.785 61.0 155.5 84.6 32.1 -13.4 7.4 -13.9 +8IRA U 100 GLY H . > > < . . + . . . . ? 0.898 65.4 66.2 -57.0 -47.4 -15.8 5.7 -11.5 +8IRA U 101 PRO H . 3 > . . S + . . . . ? 0.853 94.7 60.6 -45.0 -38.6 -13.3 3.0 -10.5 +8IRA U 102 TYR H . < > . . S + . . . . ? 0.929 106.1 45.2 -53.9 -51.3 -11.1 5.7 -8.8 +8IRA U 103 GLN H . < X . . S + . . . . ? 0.905 113.0 51.2 -60.1 -44.6 -13.9 6.7 -6.4 +8IRA U 104 LEU H . . X . . S + . . . . ? 0.944 113.0 45.7 -58.5 -48.1 -14.6 3.0 -5.6 +8IRA U 105 ILE H . . X . . S + . . . . ? 0.946 115.6 43.0 -63.2 -51.5 -11.0 2.3 -4.9 +8IRA U 106 ILE H . . X . . S + . . . . ? 0.892 113.5 49.7 -67.9 -40.5 -10.2 5.3 -2.7 +8IRA U 107 PHE H . . X . . S + . . . . ? 0.895 116.5 42.1 -66.6 -41.7 -13.4 5.3 -0.6 +8IRA U 108 HIS H . . X . . S + . . . . ? 0.916 116.3 50.3 -65.5 -45.2 -13.1 1.6 0.2 +8IRA U 109 PHE H . . X . . S + . . . . ? 0.918 109.8 48.5 -58.3 -47.9 -9.3 2.0 0.8 +8IRA U 110 LEU H . . X . . S + . . . . ? 0.885 114.7 46.6 -64.5 -40.3 -9.7 5.0 3.1 +8IRA U 111 LEU H . . X . . S + . . . . ? 0.930 114.5 46.9 -61.5 -51.2 -12.3 3.1 5.1 +8IRA U 112 GLY H . . X . . S + . . . . ? 0.854 113.1 47.9 -61.3 -37.7 -10.2 -0.1 5.2 +8IRA U 113 ALA H . . X . . S + . . . . ? 0.833 108.5 54.5 -75.6 -34.1 -7.1 1.7 6.2 +8IRA U 114 SER H . . X . . S + . . . . ? 0.893 111.1 45.9 -62.1 -39.5 -8.9 3.6 9.0 +8IRA U 115 CYS H . . X . . S + . . . . ? 0.806 104.8 61.3 -72.9 -29.9 -10.1 0.2 10.3 +8IRA U 116 TYR H . . X . . S + . . . . ? 0.935 106.5 46.8 -57.0 -45.5 -6.5 -1.1 9.9 +8IRA U 117 MET H . . X . . S + . . . . ? 0.901 112.6 48.6 -62.5 -45.5 -5.5 1.6 12.4 +8IRA U 118 GLY H . . X . . S + . . . . ? 0.905 108.3 55.7 -59.8 -41.8 -8.4 0.7 14.7 +8IRA U 119 ARG H . . X . . S + . . . . ? 0.789 101.8 56.2 -60.3 -34.2 -7.4 -3.0 14.4 +8IRA U 120 GLN H . . X . . S + . . . . ? 0.883 110.3 45.0 -66.3 -41.5 -3.9 -2.2 15.7 +8IRA U 121 TRP H . . X . . S + . . . . ? 0.927 112.1 54.6 -59.9 -46.1 -5.4 -0.7 18.8 +8IRA U 122 GLU H . . X . . S + . . . . ? 0.907 108.2 44.4 -63.0 -47.6 -7.8 -3.6 19.2 +8IRA U 123 LEU H . . X . . S + . . . . ? 0.866 108.5 59.2 -64.2 -35.3 -5.2 -6.4 19.1 +8IRA U 124 SER H . . < > . S + . . . . ? 0.822 106.4 48.7 -62.7 -32.8 -3.0 -4.4 21.5 +8IRA U 125 TYR H . > < 5 . S + . . . . ? 0.906 111.4 49.0 -70.9 -42.7 -5.8 -4.5 24.0 +8IRA U 126 ARG H . 3 < 5 . S + . . . . ? 0.795 113.1 47.1 -66.8 -31.3 -6.4 -8.2 23.6 +8IRA U 127 LEU T . 3 < 5 . S - . . . . ? 0.296 114.6 -110.7 -94.5 5.8 -2.7 -9.0 24.0 +8IRA U 128 GLY T . < . 5 . S + . . . . ? 0.820 70.7 142.9 68.6 33.7 -2.2 -6.9 27.1 +8IRA U 129 MET . . . . < . . - . . . . ? -0.490 60.4 -92.4 -97.5 168.2 -0.0 -4.3 25.3 +8IRA U 130 ARG . . . . . . . - . . . . ? -0.534 40.6 -130.2 -78.7 151.6 0.3 -0.6 25.5 +8IRA U 131 PRO S . > . . . S + . . . . ? 0.486 76.1 90.2 -91.6 -4.4 -2.1 1.1 22.9 +8IRA U 132 TRP T . 3 > . . . + . . . . ? 0.259 51.4 94.1 -97.1 12.5 -0.2 3.6 20.9 +8IRA U 133 ILE H . > > . . S + . . . . ? 0.881 87.3 57.9 -60.8 -37.1 1.2 1.8 17.9 +8IRA U 134 CYS H . < > . . S + . . . . ? 0.825 97.4 61.2 -62.0 -32.9 -1.9 3.0 16.0 +8IRA U 135 VAL H . 3 4 . . S + . . . . ? 0.826 103.7 49.3 -61.5 -35.1 -0.9 6.6 16.8 +8IRA U 136 ALA H . X < . . S + . . . . ? 0.887 108.7 52.4 -71.8 -39.1 2.3 6.1 14.8 +8IRA U 137 TYR H . 3 X . . S + . . . . ? 0.663 92.7 75.6 -69.3 -16.4 0.3 4.6 11.9 +8IRA U 138 SER H . 3 X . . S + . . . . ? 0.756 86.3 64.1 -63.7 -25.7 -2.0 7.7 12.0 +8IRA U 139 ALA H . < > . . S + . . . . ? 0.948 109.2 34.4 -66.5 -54.3 0.9 9.7 10.4 +8IRA U 140 PRO H . . > . . S + . . . . ? 0.872 119.1 54.1 -66.5 -34.9 0.9 7.7 7.1 +8IRA U 141 LEU H . . X . . S + . . . . ? 0.930 106.8 50.2 -62.7 -44.3 -2.9 7.3 7.3 +8IRA U 142 ALA H . . X . . S + . . . . ? 0.818 109.0 53.9 -61.4 -32.1 -3.4 11.1 7.6 +8IRA U 143 SER H . . X . . S + . . . . ? 0.853 106.2 50.6 -72.7 -38.7 -1.1 11.5 4.6 +8IRA U 144 ALA H . . X . . S + . . . . ? 0.926 110.3 50.5 -62.6 -46.1 -3.3 9.2 2.5 +8IRA U 145 PHE H . . X > . S + . . . . ? 0.869 106.2 57.7 -55.4 -38.1 -6.4 11.1 3.6 +8IRA U 146 ALA I . . < > . S + . . . . ? 0.871 114.7 32.6 -64.8 -40.3 -4.7 14.4 2.6 +8IRA U 147 VAL I . . < 5 . S + . . . . ? 0.689 125.7 39.9 -95.2 -23.4 -4.0 13.5 -1.1 +8IRA U 148 PHE I . . < 5 . S + . . . . ? 0.702 135.3 3.1 -97.2 -23.9 -7.1 11.3 -1.8 +8IRA U 149 LEU I . . X 5 . S + . . . . ? 0.688 124.2 48.2 -128.9 -53.4 -9.8 13.2 0.1 +8IRA U 150 ILE I . . > < . S + . . . . ? 0.903 111.0 49.9 -70.2 -43.2 -8.9 16.5 1.7 +8IRA U 151 TYR H . . > < . S + . . . . ? 0.958 112.7 48.5 -64.4 -49.4 -7.0 18.0 -1.2 +8IRA U 152 PRO H . . > > . S + . . . . ? 0.889 109.2 53.7 -48.7 -44.6 -10.0 17.2 -3.5 +8IRA U 153 ILE H . . < 5 . S + . . . . ? 0.899 110.9 45.4 -60.4 -43.7 -12.5 18.7 -1.1 +8IRA U 154 GLY H . . < 5 . S + . . . . ? 0.858 118.3 41.5 -68.5 -37.5 -10.6 22.0 -0.9 +8IRA U 155 GLN H . . < 5 . S - . . . . ? 0.537 111.5 -119.7 -92.1 -11.0 -10.1 22.3 -4.7 +8IRA U 156 GLY T . . < 5 . S + . . . . ? 0.546 78.9 71.6 91.7 11.5 -13.6 21.1 -5.4 +8IRA U 157 SER . . > . < . . - . . . . ? -0.939 65.3 -141.8 -161.8 136.1 -12.9 17.9 -7.5 +8IRA U 158 PHE G . > . . . S + . . . . ? 0.599 98.2 80.5 -68.4 -12.8 -11.6 14.4 -7.1 +8IRA U 159 SER G . 3 . . . S + . . . . ? 0.600 90.9 51.9 -66.0 -16.6 -9.9 15.0 -10.5 +8IRA U 160 ASP G . < . . . S + . . . . ? 0.307 87.7 110.3 -103.1 5.7 -7.3 16.8 -8.5 +8IRA U 161 GLY S . < . . > S - . . . . ? -0.379 87.7 -85.1 -66.5 157.8 -6.9 13.8 -6.2 +8IRA U 162 MET P . . . . P . - . . . . ? -0.490 47.0 -121.6 -70.2 126.2 -3.6 11.9 -6.5 +8IRA U 163 PRO P . . . . < . - . . . . ? -0.305 21.0 -114.7 -62.9 154.9 -3.7 9.3 -9.3 +8IRA U 164 LEU E . . . . . S + AS DJ BS . ? -0.554 83.5 82.9 -92.7 69.9 -3.1 5.7 -8.4 +8IRA U 165 GLY E . . > . . S - AS DJ BS . ? -0.983 81.8 -113.5 -164.5 162.2 0.1 5.3 -10.4 +8IRA U 166 ILE H . . > . . S + . . . . ? 0.976 117.7 36.2 -65.6 -58.0 3.9 6.0 -10.3 +8IRA U 167 SER H . . > . . S + . . . . ? 0.828 115.0 57.1 -66.1 -33.8 4.0 8.6 -13.1 +8IRA U 168 GLY H . . > . . S + . . . . ? 0.844 101.1 56.7 -65.7 -36.1 0.6 10.1 -12.0 +8IRA U 169 THR H . . X . . S + . . . . ? 0.884 107.0 50.1 -58.3 -38.6 2.1 10.6 -8.5 +8IRA U 170 PHE H . . X . . S + . . . . ? 0.897 107.5 53.0 -69.7 -39.3 4.8 12.7 -10.2 +8IRA U 171 ASN H . . X . . S + . . . . ? 0.936 109.7 49.1 -54.6 -48.5 2.1 14.6 -12.1 +8IRA U 172 PHE H . . X . . S + . . . . ? 0.925 111.4 49.3 -56.1 -48.0 0.4 15.4 -8.8 +8IRA U 173 MET H . . X . . S + . . . . ? 0.859 112.4 45.9 -63.8 -41.0 3.7 16.6 -7.2 +8IRA U 174 ILE H . . X . . S + . . . . ? 0.923 114.2 46.6 -69.7 -47.7 4.7 18.9 -10.0 +8IRA U 175 VAL H . . X . . S + . . . . ? 0.882 110.2 55.8 -62.2 -36.2 1.3 20.6 -10.4 +8IRA U 176 PHE H . . X . . S + . . . . ? 0.920 106.6 49.2 -62.1 -44.4 1.2 20.9 -6.6 +8IRA U 177 GLN H . . X . . S + . . . . ? 0.907 112.0 49.6 -61.7 -43.9 4.5 22.8 -6.6 +8IRA U 178 ALA H . . < . . S + . . . . ? 0.842 118.7 37.0 -58.8 -40.2 3.2 25.1 -9.4 +8IRA U 179 GLU H . . < . . S + . . . . ? 0.582 136.0 15.2 -96.7 -12.2 -0.1 25.9 -7.6 +8IRA U 180 HIS H . . < . . S - . . . . ? 0.436 85.0 -128.4 -139.0 -7.3 1.1 26.1 -4.0 +8IRA U 181 ASN . . > < . . . + . . . . ? 0.929 35.9 178.8 49.4 53.9 4.9 26.3 -3.9 +8IRA U 182 ILE G . > . . . . + . . . . ? 0.767 69.8 65.5 -59.1 -30.6 5.0 23.4 -1.4 +8IRA U 183 LEU G . 3 . . . S + . . . . ? 0.850 103.2 47.4 -61.6 -33.7 8.8 23.5 -1.3 +8IRA U 184 MET G . < . . . S + . . . . ? 0.337 89.7 103.0 -89.6 5.5 8.7 26.9 0.4 +8IRA U 185 HIS S . X > . . S - . . . . ? -0.797 70.6 -140.2 -92.3 124.5 6.0 25.8 2.9 +8IRA U 186 PRO H . 3 > . . S + . . . . ? 0.707 98.6 59.8 -58.7 -22.2 7.4 25.1 6.4 +8IRA U 187 PHE H . 3 > . . S + . . . . ? 0.829 106.1 46.0 -78.8 -33.0 5.2 22.1 6.9 +8IRA U 188 HIS H . < > . . S + . . . . ? 0.776 112.0 53.9 -70.4 -31.3 6.6 20.3 3.9 +8IRA U 189 GLN H . . X . . S + . . . . ? 0.912 108.3 47.6 -68.0 -42.8 10.1 21.3 5.2 +8IRA U 190 LEU H . . X . . S + . . . . ? 0.846 110.1 55.6 -62.5 -35.1 9.3 19.8 8.6 +8IRA U 191 GLY H . . X . . S + . . . . ? 0.912 106.3 48.1 -62.4 -45.7 8.1 16.7 6.6 +8IRA U 192 VAL H . . X . . S + . . . . ? 0.912 110.3 52.5 -60.1 -43.1 11.5 16.4 4.8 +8IRA U 193 ALA H . . X . . S + . . . . ? 0.837 108.6 53.5 -58.7 -36.5 13.2 16.8 8.2 +8IRA U 194 GLY H . . X . . S + . . . . ? 0.930 115.9 34.7 -62.6 -50.6 10.9 13.9 9.4 +8IRA U 195 VAL H . . X . . S + . . . . ? 0.875 121.3 46.1 -81.8 -38.4 11.8 11.4 6.6 +8IRA U 196 PHE H . . X . . S + . . . . ? 0.953 118.6 44.1 -61.0 -50.2 15.5 12.4 6.2 +8IRA U 197 GLY H . . X . . S + . . . . ? 0.893 111.7 53.4 -61.2 -42.9 15.8 12.4 10.0 +8IRA U 198 GLY H . . X . . S + . . . . ? 0.909 112.1 44.8 -57.3 -45.2 13.9 9.1 10.2 +8IRA U 199 ALA H . . X . . S + . . . . ? 0.872 113.8 51.1 -65.0 -39.9 16.3 7.6 7.7 +8IRA U 200 LEU H . . X . . S + . . . . ? 0.951 114.3 41.6 -60.1 -52.5 19.2 9.1 9.6 +8IRA U 201 PHE H . . X . . S + . . . . ? 0.783 109.9 59.7 -72.4 -27.0 18.1 7.7 12.9 +8IRA U 202 CYS H . . X . . S + . . . . ? 0.972 111.4 39.3 -60.3 -56.1 17.2 4.4 11.4 +8IRA U 203 ALA H . . X . . S + . . . . ? 0.907 116.2 53.4 -57.7 -43.2 20.7 3.8 10.1 +8IRA U 204 MET H . . X . . S + . . . . ? 0.903 112.6 41.1 -63.1 -49.1 22.2 5.2 13.3 +8IRA U 205 HIS H . . X . . S + . . . . ? 0.889 117.6 50.2 -65.6 -40.4 20.2 3.0 15.7 +8IRA U 206 GLY H . . X . . S + . . . . ? 0.902 112.7 45.1 -64.1 -42.8 20.8 0.0 13.3 +8IRA U 207 SER H . . X . . S + . . . . ? 0.854 113.4 49.2 -72.1 -35.2 24.6 0.6 13.1 +8IRA U 208 LEU H . . X . . S + . . . . ? 0.901 113.7 43.8 -74.8 -43.6 25.1 1.2 16.9 +8IRA U 209 VAL H . > < . . S + . . . . ? 0.918 116.8 48.0 -62.8 -47.0 23.2 -1.9 18.0 +8IRA U 210 THR H . > < . . S + . . . . ? 0.838 109.7 53.2 -61.3 -34.9 24.9 -4.0 15.3 +8IRA U 211 SER H . 3 < . . S + . . . . ? 0.630 110.9 46.2 -79.6 -13.1 28.3 -2.6 16.2 +8IRA U 212 SER T . < < . . S + . . . . ? 0.063 76.6 140.4 -119.3 24.5 27.9 -3.6 19.9 +8IRA U 213 LEU B . < . . . . - AT DK BT . ? -0.445 56.5 -115.2 -63.2 137.7 26.6 -7.1 19.5 +8IRA U 214 ILE B . . . . . . - AU DM BU . ? -0.558 33.9 -103.5 -77.0 139.0 28.1 -9.5 22.1 +8IRA U 215 ARG . . . . . . . + . . . . ? -0.549 63.6 140.6 -69.0 107.5 30.3 -12.3 20.6 +8IRA U 216 GLU . . . . . . . + . . . . ? 0.435 58.9 58.3 -119.0 -9.4 28.2 -15.5 20.6 +8IRA U 217 THR S . . . . . S - . . . . ? -0.798 75.7 -116.0 -127.3 159.8 29.3 -16.9 17.2 +8IRA U 218 THR . . > . . . . - . . . . ? -0.359 40.7 -102.1 -85.3 173.3 32.4 -18.0 15.3 +8IRA U 219 GLU T . 3 . . . S + . . . . ? 0.638 116.5 62.0 -77.7 -14.6 33.5 -16.2 12.1 +8IRA U 220 THR T . 3 . . . S + . . . . ? 0.427 100.3 62.4 -86.4 -2.1 32.1 -18.9 9.8 +8IRA U 221 GLU S . < . . . S - . . . . ? -0.941 94.0 -92.7 -128.9 148.6 28.5 -18.3 10.9 +8IRA U 222 SER . . > . . . . - . . . . ? -0.228 26.8 -134.5 -51.3 141.6 26.1 -15.4 10.8 +8IRA U 223 ALA G . > . . . S + . . . . ? 0.717 99.6 77.3 -71.9 -21.2 26.1 -13.2 13.9 +8IRA U 224 ASN G . > . . . S + . . . . ? 0.822 82.3 65.4 -57.1 -33.7 22.3 -13.3 13.8 +8IRA U 225 TYR G . < . . . S + . . . . ? 0.638 81.5 79.2 -64.4 -15.2 22.4 -16.8 15.2 +8IRA U 226 GLY G . < . . . S + . . . . ? 0.549 88.5 67.0 -67.9 -9.7 23.9 -15.3 18.4 +8IRA U 227 TYR . . < . . . . - . . . . ? -0.964 69.7 -159.8 -112.8 132.6 20.3 -14.3 19.3 +8IRA U 228 LYS . . > . . . . - . . . . ? -0.961 35.0 -102.5 -109.7 126.2 17.6 -16.9 20.1 +8IRA U 229 PHE T . 3 . . . S + . . . . ? -0.171 105.9 12.2 -46.0 120.3 14.0 -15.8 19.8 +8IRA U 230 GLY T . 3 . . . S + . . . . ? 0.324 83.2 153.2 95.0 -5.4 12.6 -15.1 23.3 +8IRA U 231 GLN . . < . . . . - . . . . ? -0.256 42.7 -138.6 -57.6 145.3 15.9 -15.1 25.3 +8IRA U 232 GLU S . . . . . S + . . . . ? 0.818 76.7 80.8 -76.0 -35.1 15.7 -13.0 28.4 +8IRA U 233 GLU B . . . . . S - AV DO BV . ? -0.519 87.6 -108.1 -83.6 142.1 19.1 -11.4 28.2 +8IRA U 234 GLU . . . . . . . - . . . . ? -0.369 21.0 -143.0 -66.2 145.0 19.9 -8.4 25.9 +8IRA U 235 THR S . . . . . S + . . . . ? 0.407 76.6 46.3 -97.4 -1.6 22.0 -9.4 22.9 +8IRA U 236 TYR B . . . . . S - AT DL BT . ? -0.924 82.8 -112.5 -136.6 164.2 24.1 -6.2 22.7 +8IRA U 237 ASN . . . > . . . - . . . . ? -0.828 25.8 -175.5 -101.7 96.8 26.1 -4.0 25.2 +8IRA U 238 ILE H . . > . . S + . . . . ? 0.815 84.6 57.7 -65.5 -31.5 24.3 -0.7 25.4 +8IRA U 239 VAL H . . > . . S + . . . . ? 0.875 107.0 48.8 -63.3 -38.9 27.0 0.7 27.7 +8IRA U 240 ALA H . . > . . S + . . . . ? 0.825 112.3 48.5 -69.2 -34.2 29.5 -0.1 24.9 +8IRA U 241 ALA H . . X . . S + . . . . ? 0.910 112.3 47.8 -68.8 -45.4 27.3 1.6 22.3 +8IRA U 242 HIS H . . X . . S + . . . . ? 0.875 108.3 55.2 -64.0 -41.0 26.8 4.7 24.5 +8IRA U 243 GLY H . . X . . S + . . . . ? 0.886 111.7 45.3 -57.4 -39.6 30.5 4.9 25.2 +8IRA U 244 TYR H . . X . . S + . . . . ? 0.979 117.1 41.5 -66.9 -55.8 31.1 5.0 21.4 +8IRA U 245 PHE H . . X . . S + . . . . ? 0.797 110.9 55.8 -69.2 -34.9 28.4 7.5 20.6 +8IRA U 246 GLY H . . < . . S + . . . . ? 0.851 112.0 43.6 -61.6 -37.9 29.1 9.9 23.5 +8IRA U 247 ARG H . . < . . S + . . . . ? 0.765 106.3 62.0 -79.2 -25.3 32.8 10.2 22.4 +8IRA U 248 LEU H . . < . . S - . . . . ? 0.849 132.4 -0.7 -67.4 -35.5 31.8 10.6 18.8 +8IRA U 249 ILE S . . < . . S - . . . . ? 0.468 122.3 -59.3 -110.8 -103.5 29.9 13.8 19.7 +8IRA U 250 PHE . . > . . . . - . . . . ? -0.914 52.4 -99.9 -139.3 167.7 30.0 14.6 23.4 +8IRA U 251 GLN G . > . . . S + . . . . ? 0.835 115.2 50.7 -56.6 -41.1 28.8 12.5 26.3 +8IRA U 252 TYR G . 3 . . . S + . . . . ? 0.535 96.4 67.2 -87.6 -7.0 25.4 14.2 26.9 +8IRA U 253 ALA G . < . . . S + . . . . ? 0.346 89.9 87.1 -83.8 4.2 24.2 14.1 23.3 +8IRA U 254 SER S . < . . . S - . . . . ? -0.926 75.5 -134.2 -115.8 123.0 24.1 10.3 23.7 +8IRA U 255 PHE . . . . . . . + . . . . ? -0.583 26.1 170.1 -70.8 129.6 21.1 8.3 25.0 +8IRA U 256 ASN . . . . . . . + . . . . ? 0.199 62.0 83.8 -122.9 13.2 21.8 5.6 27.6 +8IRA U 257 ASN . . . > . . . - . . . . ? -0.986 67.6 -157.5 -103.9 122.8 18.2 5.1 28.5 +8IRA U 258 SER H . . > . . S + . . . . ? 0.703 90.1 54.5 -76.1 -22.1 16.8 2.7 25.9 +8IRA U 259 ARG H . . > . . S + . . . . ? 0.905 108.6 48.5 -77.3 -43.5 13.2 3.7 26.4 +8IRA U 260 SER H . . > . . S + . . . . ? 0.938 112.8 50.5 -53.2 -50.5 14.0 7.4 25.8 +8IRA U 261 LEU H . . X . . S + . . . . ? 0.926 111.5 43.7 -56.6 -54.3 15.9 6.3 22.7 +8IRA U 262 HIS H . . X . . S + . . . . ? 0.812 112.9 54.2 -70.1 -26.4 13.2 4.2 21.1 +8IRA U 263 PHE H . . X . . S + . . . . ? 0.931 107.0 51.0 -64.8 -46.6 10.6 6.9 22.0 +8IRA U 264 PHE H . . X . . S + . . . . ? 0.902 108.6 52.3 -56.7 -42.7 12.8 9.4 20.2 +8IRA U 265 LEU H . . < . . S + . . . . ? 0.880 113.3 44.1 -59.7 -42.3 12.8 7.1 17.2 +8IRA U 266 ALA H . . X . . S + . . . . ? 0.971 115.8 45.6 -64.9 -52.9 9.0 6.8 17.2 +8IRA U 267 ALA H . . X . . S + . . . . ? 0.805 101.9 61.9 -67.0 -38.7 8.3 10.5 17.7 +8IRA U 268 TRP H . . X . . S + . . . . ? 0.954 113.0 31.9 -60.8 -57.1 10.6 12.2 15.2 +8IRA U 269 PRO H . . > . . S + . . . . ? 0.816 119.0 54.9 -70.0 -30.4 9.2 10.7 11.9 +8IRA U 270 VAL H . . X . . S + . . . . ? 0.971 113.2 40.3 -65.6 -53.2 5.7 10.5 13.2 +8IRA U 271 VAL H . . X . . S + . . . . ? 0.905 115.5 53.8 -60.5 -43.2 5.6 14.2 14.1 +8IRA U 272 GLY H . . X . . S + . . . . ? 0.903 111.4 43.0 -57.9 -45.4 7.5 15.1 10.9 +8IRA U 273 VAL H . . X . . S + . . . . ? 0.763 107.1 61.9 -76.1 -27.0 5.0 13.3 8.7 +8IRA U 274 TRP H . . X . . S + . . . . ? 0.950 107.0 45.2 -56.6 -49.4 2.0 14.7 10.7 +8IRA U 275 PHE H . . X . . S + . . . . ? 0.820 110.9 53.9 -66.4 -30.5 3.3 18.2 9.6 +8IRA U 276 ALA H . . X . . S + . . . . ? 0.953 110.4 45.9 -64.7 -48.4 3.7 16.8 6.1 +8IRA U 277 ALA H . . X . . S + . . . . ? 0.864 113.0 50.4 -60.3 -38.1 0.1 15.6 6.1 +8IRA U 278 LEU H . . X . . S + . . . . ? 0.688 104.3 60.1 -75.4 -21.5 -1.0 19.0 7.5 +8IRA U 279 GLY H . . X . . S + . . . . ? 0.945 110.7 38.8 -64.8 -51.1 1.0 20.7 4.8 +8IRA U 280 ILE H . . X . . S + . . . . ? 0.903 115.0 54.5 -65.9 -41.3 -1.1 19.1 2.1 +8IRA U 281 SER H . . < . . S + . . . . ? 0.739 113.5 39.9 -70.0 -25.4 -4.3 19.4 4.0 +8IRA U 282 THR H . > < > . S + . . . . ? 0.728 109.0 58.1 -94.1 -27.4 -4.0 23.2 4.6 +8IRA U 283 MET H . > < 5 . S + . . . . ? 0.666 93.0 73.4 -70.7 -16.6 -2.7 23.9 1.1 +8IRA U 284 ALA T . 3 < 5 . S + . . . . ? 0.821 98.6 44.4 -57.8 -34.1 -6.0 22.3 0.2 +8IRA U 285 PHE T . < . 5 . S - . . . . ? 0.070 125.7 -107.6 -99.7 19.0 -7.5 25.6 1.4 +8IRA U 286 ASN T . < . 5 . S + . . . . ? 0.699 70.2 143.7 64.0 30.6 -4.9 27.5 -0.5 +8IRA U 287 LEU E . . . < . . - AW DQ BW . ? -0.845 42.8 -166.2 -92.8 97.7 -2.7 28.8 2.3 +8IRA U 288 ASN E . . . . > . - AW DQ BW . ? -0.147 19.5 -75.5 -95.2 173.2 0.5 28.4 0.4 +8IRA U 289 GLY S . . . . P S - . . . . ? -0.117 71.9 -65.0 -59.7 161.8 4.3 28.4 0.8 +8IRA U 290 PHE P . . . . < . - . . . . ? -0.192 46.5 -148.3 -53.9 136.4 6.2 31.6 1.4 +8IRA U 291 ASN . . . . . . . + . . . . ? -0.924 30.7 158.8 -111.6 104.4 6.1 34.1 -1.5 +8IRA U 292 PHE . . > . . . . + . . . . ? -0.058 21.6 149.8 -111.1 28.9 9.3 36.1 -1.8 +8IRA U 293 ASN T . 3 . . . S - . . . . ? -0.532 81.2 -8.1 -65.9 118.9 8.8 37.0 -5.5 +8IRA U 294 HIS T . 3 . . . S + . . . . ? 0.758 91.6 139.3 60.3 31.7 10.4 40.4 -6.1 +8IRA U 295 SER . . < . . . . + . . . . ? 0.837 58.5 61.7 -70.3 -35.8 10.9 40.9 -2.4 +8IRA U 296 VAL . . . . . . . + . . . . ? -0.849 65.0 166.4 -96.5 126.4 14.4 42.4 -2.9 +8IRA U 297 ILE B . . . . . . - AX DT BY . ? -0.982 27.5 -124.3 -137.2 148.5 14.5 45.7 -4.9 +8IRA U 298 ASP . . . . . . . - . . . . ? -0.012 41.0 -81.8 -84.7 -172.8 17.4 48.1 -5.3 +8IRA U 299 ALA S . . . . . S + . . . . ? 0.790 129.3 43.6 -63.9 -33.7 17.6 51.9 -4.6 +8IRA U 300 LYS S . . . . . S - . . . . ? 0.798 123.9 -99.0 -77.4 -32.9 16.0 52.9 -7.9 +8IRA U 301 GLY S . . . . . S + . . . . ? 0.396 71.5 147.2 119.4 3.4 13.3 50.2 -7.7 +8IRA U 302 ASN . . . . . . . - . . . . ? -0.357 54.0 -110.5 -62.6 150.9 14.8 47.5 -10.0 +8IRA U 303 VAL B . . . . . . - AX DU BY . ? -0.763 24.8 -157.6 -85.3 125.7 14.1 43.9 -9.0 +8IRA U 304 ILE . . . . . . . - . . . . ? -0.915 22.9 -133.6 -101.5 104.9 17.1 42.1 -7.7 +8IRA U 305 ASN . . . . . . . - . . . . ? -0.203 22.8 -171.2 -61.0 143.3 16.4 38.4 -8.2 +8IRA U 306 THR . . > > . . . - . . . . ? -0.617 47.5 -88.9 -114.5 -178.4 17.0 35.8 -5.5 +8IRA U 307 TRP H . 3 > . . S + . . . . ? 0.752 126.6 65.3 -62.2 -25.2 16.8 32.1 -5.7 +8IRA U 308 ALA H . 3 > . . S + . . . . ? 0.852 98.8 51.9 -65.2 -35.2 13.1 32.4 -4.8 +8IRA U 309 ASP H . < > . . S + . . . . ? 0.831 107.9 51.9 -70.6 -31.8 12.6 34.3 -8.1 +8IRA U 310 ILE H . . X . . S + . . . . ? 0.893 107.8 51.1 -68.8 -43.9 14.3 31.4 -10.0 +8IRA U 311 ILE H . . X . . S + . . . . ? 0.902 107.6 54.9 -52.7 -43.3 12.0 28.9 -8.3 +8IRA U 312 ASN H . . X . . S + . . . . ? 0.826 103.1 55.1 -64.7 -32.8 9.1 31.1 -9.4 +8IRA U 313 ARG H . . X . . S + . . . . ? 0.944 110.4 44.9 -63.1 -49.2 10.3 30.9 -13.1 +8IRA U 314 ALA H . . X . . S + . . . . ? 0.907 111.7 53.6 -58.4 -45.5 10.2 27.1 -12.9 +8IRA U 315 ASN H . . X . . S + . . . . ? 0.921 105.5 53.5 -55.9 -46.5 6.8 27.2 -11.2 +8IRA U 316 LEU H . . X . . S + . . . . ? 0.818 105.0 55.0 -57.5 -36.7 5.4 29.4 -14.0 +8IRA U 317 GLY H . . X . . S + . . . . ? 0.880 111.0 44.2 -65.0 -39.2 6.5 26.8 -16.6 +8IRA U 318 MET H . . X . . S + . . . . ? 0.860 114.0 52.1 -68.4 -40.7 4.6 24.1 -14.7 +8IRA U 319 GLU H . . < . . S + . . . . ? 0.933 110.2 45.0 -61.9 -51.7 1.6 26.5 -14.4 +8IRA U 320 VAL H . . < . . S + . . . . ? 0.683 119.0 42.4 -72.7 -18.6 1.3 27.5 -18.0 +8IRA U 321 MET H . > < . . S + . . . . ? 0.704 87.4 100.4 -102.7 -23.6 1.7 23.9 -19.3 +8IRA U 322 HIS T . 3 < . . S - . . . . ? -0.312 99.1 -1.1 -65.7 144.6 -0.4 21.8 -17.0 +8IRA U 323 GLU T . > . . . S - . . . . ? 0.873 83.8 -170.0 44.5 53.7 -3.9 20.7 -18.1 +8IRA U 324 ARG T . < . . . S + . . . . ? 0.552 75.1 37.6 -58.9 -20.2 -3.1 22.7 -21.3 +8IRA U 325 ASN T . 3 . . . S + . . . . ? 0.323 98.9 79.4 -110.2 5.9 -6.7 22.6 -22.8 +8IRA U 326 ALA S . < . . . S + . . . . ? 0.463 75.7 76.7 -98.8 -5.1 -8.7 23.0 -19.6 +8IRA U 327 HIS . . . . . . . + . . . . ? -0.939 35.6 164.3 -118.1 126.0 -8.5 26.7 -19.0 +8IRA U 328 ASN . . . . . . . + . . . . ? 0.598 68.9 57.7 -106.3 -19.8 -10.5 29.3 -20.9 +8IRA U 329 PHE S . . . . . S - . . . . ? -0.793 90.8 -109.2 -120.7 155.0 -10.0 32.2 -18.4 +8IRA U 330 PRO S . . . . . S + . . . . ? 0.681 93.1 63.2 -65.5 -22.8 -6.6 33.8 -17.2 +8IRA U 331 LEU . . . . . . . - . . . . ? -0.904 66.2 -146.4 -112.7 124.2 -6.5 32.6 -13.6 +8IRA U 332 ASP . . . . . . . + . . . . ? -0.706 29.6 169.9 -79.6 89.3 -6.3 29.0 -12.4 +8IRA U 333 LEU . . . . . . . . . . . . ? 0.500 . . -87.5 -5.0 -8.4 29.6 -9.3 +8IRA U 334 ALA . . . . . . . . . . . . ? 0.249 . . -160.6 . -8.7 25.9 -8.4 +8IRA V 1 GLY . . . . . . . . . . . . ? . . . . 179.8 27.1 -23.2 7.7 +8IRA V 2 LEU B . . . . . . - AY DV BZ . ? -0.432 . -122.3 -60.4 131.1 28.6 -20.3 5.7 +8IRA V 3 PRO . . > . . . . - . . . . ? -0.357 31.4 -103.5 -66.1 161.8 26.0 -17.7 4.6 +8IRA V 4 TRP G . > . . . S + . . . . ? 0.810 118.9 59.4 -60.7 -34.6 25.9 -17.1 0.8 +8IRA V 5 TYR G . 3 . . . S + . . . . ? 0.388 108.5 45.9 -79.0 2.5 27.8 -13.8 1.0 +8IRA V 6 ARG G . X . . . S + . . . . ? 0.314 71.8 111.8 -123.5 6.8 30.8 -15.5 2.6 +8IRA V 7 VAL G . X . . . S + . . . . ? 0.795 76.2 57.5 -52.9 -34.3 31.3 -18.7 0.5 +8IRA V 8 HIS G . > . . . S + . . . . ? 0.558 80.0 87.4 -79.9 -6.3 34.6 -17.4 -1.0 +8IRA V 9 THR G . X . . . . + . . . . ? 0.548 68.0 82.0 -66.2 -10.0 36.3 -17.0 2.4 +8IRA V 10 VAL G . < . . . S + . . . . ? 0.542 85.5 59.5 -71.5 -10.1 37.4 -20.6 2.2 +8IRA V 11 LEU G . X . . . S + . . . . ? 0.568 76.6 93.0 -88.7 -12.4 40.3 -19.4 0.0 +8IRA V 12 ILE T . < . . . S + . . . . ? 0.815 98.9 27.5 -58.3 -38.3 41.8 -17.1 2.7 +8IRA V 13 ASN T . 3 . . . S + . . . . ? -0.090 107.0 81.1 -112.7 33.5 44.2 -19.7 4.0 +8IRA V 14 ASP . . < > . . . + . . . . ? -0.708 50.3 176.4 -138.1 78.0 44.6 -21.8 0.9 +8IRA V 15 PRO H . . > . . S + . . . . ? 0.891 79.8 56.8 -54.3 -42.0 47.2 -20.0 -1.4 +8IRA V 16 GLY H . . > . . S + . . . . ? 0.916 112.7 38.7 -55.8 -48.7 47.0 -22.8 -4.0 +8IRA V 17 ARG H . . > . . S + . . . . ? 0.786 111.5 58.6 -77.6 -25.8 43.2 -22.5 -4.5 +8IRA V 18 LEU H . . X . . S + . . . . ? 0.964 107.8 47.2 -60.8 -49.1 43.4 -18.8 -4.2 +8IRA V 19 ILE H . . X . . S + . . . . ? 0.904 110.6 52.7 -56.3 -44.1 45.8 -18.9 -7.2 +8IRA V 20 ALA H . . X . . S + . . . . ? 0.889 109.6 48.0 -57.6 -41.0 43.4 -21.3 -8.9 +8IRA V 21 ALA H . . X . . S + . . . . ? 0.870 112.1 49.6 -69.1 -36.8 40.5 -18.8 -8.4 +8IRA V 22 HIS H . . X . . S + . . . . ? 0.866 110.4 50.9 -68.4 -36.8 42.7 -16.0 -9.7 +8IRA V 23 LEU H . . X . . S + . . . . ? 0.907 110.2 49.3 -64.3 -41.0 43.6 -18.1 -12.8 +8IRA V 24 MET H . . X . . S + . . . . ? 0.945 111.0 49.3 -68.1 -43.9 39.9 -18.8 -13.4 +8IRA V 25 HIS H . . X . . S + . . . . ? 0.913 111.7 48.9 -57.7 -44.8 39.1 -15.1 -13.2 +8IRA V 26 THR H . . X . . S + . . . . ? 0.901 109.7 52.8 -63.5 -41.8 41.9 -14.2 -15.5 +8IRA V 27 ALA H . . X . . S + . . . . ? 0.887 109.8 48.8 -55.9 -43.9 40.7 -16.9 -17.9 +8IRA V 28 LEU H . . X . . S + . . . . ? 0.889 111.6 48.1 -66.7 -39.9 37.2 -15.4 -17.9 +8IRA V 29 VAL H . . X . . S + . . . . ? 0.907 113.8 45.8 -71.1 -41.8 38.4 -11.9 -18.5 +8IRA V 30 ALA H . . X . . S + . . . . ? 0.876 111.4 54.6 -64.9 -38.7 40.6 -12.9 -21.4 +8IRA V 31 GLY H . . X . . S + . . . . ? 0.904 108.3 49.1 -58.6 -41.6 37.7 -15.0 -22.7 +8IRA V 32 TRP H . . X . . S + . . . . ? 0.916 107.9 52.8 -61.5 -49.6 35.5 -11.9 -22.6 +8IRA V 33 ALA H . . X . . S + . . . . ? 0.914 113.5 44.2 -54.9 -47.8 38.0 -9.7 -24.5 +8IRA V 34 GLY H . . X . . S + . . . . ? 0.932 115.0 47.2 -62.7 -50.0 38.2 -12.3 -27.2 +8IRA V 35 SER H . . X . . S + . . . . ? 0.934 112.4 50.6 -55.7 -47.2 34.5 -12.9 -27.4 +8IRA V 36 MET H . . X . . S + . . . . ? 0.897 110.5 49.1 -61.8 -41.5 33.8 -9.1 -27.5 +8IRA V 37 ALA H . . X . . S + . . . . ? 0.935 110.5 50.0 -62.8 -48.2 36.3 -8.6 -30.3 +8IRA V 38 LEU H . . X . . S + . . . . ? 0.829 110.9 49.5 -61.2 -33.9 34.9 -11.3 -32.4 +8IRA V 39 TYR H . . X . . S + . . . . ? 0.876 111.4 49.1 -73.4 -38.7 31.3 -10.0 -32.0 +8IRA V 40 GLU H . > X . . S + . . . . ? 0.915 110.3 50.7 -64.3 -42.9 32.5 -6.5 -32.9 +8IRA V 41 LEU H . 3 < . . S + . . . . ? 0.850 106.9 55.2 -63.8 -35.9 34.3 -7.8 -36.0 +8IRA V 42 ALA H . 3 < . . S + . . . . ? 0.615 120.2 30.4 -69.1 -17.3 31.1 -9.6 -37.0 +8IRA V 43 THR H . < < . . S + . . . . ? 0.521 91.5 110.4 -119.6 -12.0 29.1 -6.4 -36.9 +8IRA V 44 PHE . . . < . . . - . . . . ? -0.473 54.1 -150.2 -71.5 132.0 31.5 -3.7 -37.8 +8IRA V 45 ASP . . . . . . . - . . . . ? -0.900 14.5 -179.1 -96.7 112.4 31.2 -2.0 -41.2 +8IRA V 46 PRO . . . . . . . + . . . . ? 0.408 56.2 98.4 -88.7 6.9 34.7 -0.8 -42.3 +8IRA V 47 SER S . . . . . S + . . . . ? 0.530 85.4 33.2 -78.1 -9.2 33.4 0.8 -45.6 +8IRA V 48 ASP . . . > . . . + . . . . ? -0.633 50.0 169.9 -149.9 88.2 33.3 4.4 -44.4 +8IRA V 49 PRO T . . 4 . . S + . . . . ? 0.642 80.7 58.6 -65.7 -16.3 35.8 5.8 -41.9 +8IRA V 50 VAL T . . 4 . . S + . . . . ? 0.960 124.3 8.1 -82.1 -58.2 34.6 9.3 -42.5 +8IRA V 51 LEU T . . 4 . . S + . . . . ? 0.459 136.2 41.4 -109.0 -4.0 30.9 9.4 -41.7 +8IRA V 52 ASN S . . < . . S + . . . . ? -0.324 76.1 162.0 -136.1 56.7 30.5 5.9 -40.1 +8IRA V 53 PRO . . > > . . . - . . . . ? -0.210 57.0 -90.6 -71.7 170.3 33.6 5.4 -37.9 +8IRA V 54 MET G . > 4 > . S + . . . . ? 0.795 122.9 61.3 -50.6 -39.1 33.8 2.7 -35.2 +8IRA V 55 TRP G . 3 4 5 . S + . . . . ? 0.535 100.6 53.4 -73.7 -9.5 32.5 5.1 -32.5 +8IRA V 56 ARG G . < 4 5 . S + . . . . ? 0.553 105.7 57.3 -87.5 -16.4 29.2 5.6 -34.4 +8IRA V 57 GLN T . < < 5 . S - . . . . ? 0.176 116.8 -104.6 -105.6 12.4 28.7 1.8 -34.5 +8IRA V 58 GLY T . . . 5 . . + . . . . ? 0.740 60.7 164.2 71.6 26.1 28.9 1.0 -30.7 +8IRA V 59 MET . . . . < . . + . . . . ? -0.630 9.1 166.1 -83.6 130.8 32.4 -0.4 -30.9 +8IRA V 60 PHE S . . . . . S + . . . . ? 0.798 72.9 28.9 -113.7 -43.5 34.0 -0.7 -27.4 +8IRA V 61 VAL S . > > . . S + . . . . ? 0.731 104.8 74.7 -91.6 -28.9 37.2 -2.9 -27.6 +8IRA V 62 LEU H . 3 > . . S + . . . . ? 0.896 94.5 52.3 -52.0 -46.3 38.1 -2.1 -31.3 +8IRA V 63 PRO H . 3 > . . S + . . . . ? 0.815 106.4 54.1 -59.5 -32.2 39.3 1.4 -30.3 +8IRA V 64 PHE H . < > . . S + . . . . ? 0.822 109.6 46.6 -72.8 -33.5 41.6 -0.1 -27.6 +8IRA V 65 MET H . > < > . S + . . . . ? 0.938 115.7 46.4 -69.0 -49.3 43.2 -2.4 -30.1 +8IRA V 66 ALA H . > < 5 . S + . . . . ? 0.859 101.9 65.4 -59.0 -41.7 43.6 0.5 -32.5 +8IRA V 67 ARG H . 3 < 5 . S + . . . . ? 0.824 107.9 40.6 -52.2 -36.0 45.0 2.8 -29.8 +8IRA V 68 LEU T . < < 5 . S - . . . . ? 0.284 133.3 -77.2 -104.2 8.4 48.1 0.6 -29.5 +8IRA V 69 GLY T . < . 5 . S + . . . . ? 0.331 88.7 122.5 124.8 -7.6 48.7 -0.2 -33.2 +8IRA V 70 VAL . . . . < . . + . . . . ? -0.766 22.8 141.9 -91.5 103.1 46.3 -2.9 -34.3 +8IRA V 71 THR . . . . . . . + . . . . ? 0.357 44.4 78.2 -119.7 1.5 44.5 -1.3 -37.3 +8IRA V 72 GLY B . . . . . . - AZ DX CA . ? -0.825 55.2 -145.7 -128.0 154.1 44.0 -4.0 -39.8 +8IRA V 73 SER . . > . . . . - . . . . ? -0.897 26.5 -126.9 -112.0 147.0 42.0 -7.1 -40.7 +8IRA V 74 TRP T . 3 . . . S + . . . . ? 0.647 108.4 71.5 -58.0 -19.1 43.1 -10.3 -42.4 +8IRA V 75 SER T . 3 . . . S - . . . . ? 0.507 122.2 -101.5 -81.3 -2.9 40.2 -9.6 -44.8 +8IRA V 76 GLY S . < . . . S + . . . . ? 0.461 83.1 108.0 107.2 2.8 42.3 -6.8 -46.2 +8IRA V 77 TRP B . . . . . . - BA DZ CB . ? -0.708 44.5 -158.1 -108.4 163.1 40.9 -3.5 -44.8 +8IRA V 78 SER B . > . . . . - AZ DY CA . ? -0.927 31.1 -115.3 -133.9 159.3 42.1 -1.1 -42.2 +8IRA V 79 ILE T . 3 . . . S + . . . . ? 0.600 112.6 64.0 -72.1 -12.3 40.4 1.4 -40.0 +8IRA V 80 THR T . 3 . . . S - . . . . ? 0.501 122.0 -102.6 -86.7 -5.8 42.2 4.3 -41.7 +8IRA V 81 GLY S . < . . . S + . . . . ? 0.347 74.8 138.7 105.0 -3.4 40.4 3.4 -45.0 +8IRA V 82 GLU . . . . . . . - . . . . ? -0.392 34.8 -155.9 -75.3 151.2 43.3 1.6 -46.8 +8IRA V 83 THR B . . . . . . + BA EA CB . ? -0.888 65.5 28.7 -124.3 157.6 42.6 -1.6 -48.8 +8IRA V 84 GLY S . . . . . S + . . . . ? 0.662 82.5 144.0 72.0 19.5 44.7 -4.6 -49.8 +8IRA V 85 ILE . . . . . . . - . . . . ? -0.489 46.4 -137.1 -88.8 159.9 47.1 -4.2 -46.8 +8IRA V 86 ASP . . . . . . . - . . . . ? -0.952 17.4 -178.9 -118.6 108.7 48.7 -7.1 -44.9 +8IRA V 87 PRO . . . . . . . - . . . . ? 0.490 34.5 -137.9 -80.6 -2.9 48.6 -6.7 -41.1 +8IRA V 88 GLY . . . . . . . - . . . . ? -0.402 55.6 -37.4 69.8 -156.1 50.5 -9.9 -40.4 +8IRA V 89 PHE S . . . . . S + . . . . ? 0.910 126.1 76.0 -66.0 -42.8 49.3 -12.1 -37.5 +8IRA V 90 TRP . . . . . . . + . . . . ? -0.344 65.1 131.1 -80.9 61.8 48.4 -9.2 -35.2 +8IRA V 91 SER S . . > . . S - . . . . ? -0.522 80.7 -90.2 -89.1 172.1 45.2 -8.2 -36.9 +8IRA V 92 PHE H . . > . . S + . . . . ? 0.927 133.7 47.6 -46.6 -47.4 41.9 -7.6 -35.0 +8IRA V 93 GLU H . . > . . S + . . . . ? 0.907 109.6 50.8 -61.7 -47.7 41.2 -11.3 -35.6 +8IRA V 94 GLY H . . > . . S + . . . . ? 0.927 111.1 49.0 -57.7 -48.1 44.7 -12.4 -34.5 +8IRA V 95 VAL H . . X . . S + . . . . ? 0.901 111.9 48.7 -55.9 -45.8 44.4 -10.5 -31.3 +8IRA V 96 ALA H . . X . . S + . . . . ? 0.952 112.1 48.7 -61.7 -49.2 40.9 -12.0 -30.6 +8IRA V 97 LEU H . . X . . S + . . . . ? 0.878 108.2 53.8 -55.8 -42.6 42.2 -15.5 -31.3 +8IRA V 98 ALA H . . X . . S + . . . . ? 0.874 107.9 50.9 -64.1 -36.8 45.2 -15.0 -29.0 +8IRA V 99 HIS H . . X . . S + . . . . ? 0.891 110.5 49.5 -65.7 -36.8 42.9 -14.0 -26.1 +8IRA V 100 ILE H . . X . . S + . . . . ? 0.904 112.2 46.6 -70.2 -42.2 40.8 -17.1 -26.7 +8IRA V 101 VAL H . . X . . S + . . . . ? 0.961 112.4 51.1 -64.0 -47.1 43.8 -19.4 -26.7 +8IRA V 102 LEU H . . X . . S + . . . . ? 0.909 106.6 55.0 -54.7 -45.7 45.1 -17.7 -23.6 +8IRA V 103 SER H . . X . . S + . . . . ? 0.928 108.9 47.7 -52.2 -49.0 41.8 -18.1 -21.9 +8IRA V 104 GLY H . . X . . S + . . . . ? 0.901 111.4 49.0 -61.4 -46.2 41.9 -21.9 -22.5 +8IRA V 105 LEU H . . X . . S + . . . . ? 0.896 111.2 50.4 -60.4 -44.7 45.5 -22.3 -21.2 +8IRA V 106 LEU H . . X . . S + . . . . ? 0.864 107.7 54.5 -61.5 -37.3 44.7 -20.3 -18.1 +8IRA V 107 PHE H . . X . . S + . . . . ? 0.926 107.9 48.7 -62.8 -46.4 41.6 -22.5 -17.5 +8IRA V 108 LEU H . . X . . S + . . . . ? 0.889 110.6 50.9 -60.7 -38.4 43.7 -25.6 -17.6 +8IRA V 109 ALA H . . X . . S + . . . . ? 0.851 105.1 57.3 -67.0 -36.9 46.2 -24.1 -15.2 +8IRA V 110 ALA H . . X . . S + . . . . ? 0.904 105.4 51.4 -57.1 -43.2 43.4 -23.3 -12.8 +8IRA V 111 CYS H . . X . . S + . . . . ? 0.927 109.1 49.0 -61.8 -47.8 42.4 -27.0 -12.8 +8IRA V 112 TRP H . . X . . S + . . . . ? 0.938 113.2 46.8 -58.4 -47.3 45.9 -28.1 -11.9 +8IRA V 113 HIS H . . < . . S + . . . . ? 0.790 110.5 53.5 -70.3 -26.2 46.2 -25.6 -9.1 +8IRA V 114 TRP H . > < . . S + . . . . ? 0.936 116.2 37.6 -69.3 -46.0 42.8 -26.5 -7.7 +8IRA V 115 VAL H . 3 < . . S + . . . . ? 0.929 120.0 45.6 -70.9 -47.8 43.6 -30.2 -7.5 +8IRA V 116 TYR T . 3 < . . S + . . . . ? -0.453 71.5 138.0 -98.1 60.2 47.2 -29.8 -6.4 +8IRA V 117 TRP . . < . . . . + . . . . ? 0.693 51.6 76.2 -73.9 -26.2 46.5 -27.2 -3.8 +8IRA V 118 ASP . . . . . . . + . . . . ? -0.419 62.6 159.5 -94.2 61.3 48.8 -28.6 -1.1 +8IRA V 119 LEU B . > . . . . - BB EB CC . ? -0.678 46.3 -131.6 -86.5 138.4 52.2 -27.5 -2.5 +8IRA V 120 GLU G . > . . . S + . . . . ? 0.793 103.1 70.5 -57.8 -32.1 55.1 -27.4 -0.0 +8IRA V 121 LEU G . 3 . . . S + . . . . ? 0.806 93.7 55.6 -52.8 -35.0 56.0 -23.9 -1.3 +8IRA V 122 PHE G . < . . . S + . . . . ? 0.531 93.5 86.6 -81.0 -6.9 52.8 -22.5 0.4 +8IRA V 123 ARG B . < . . . S - BC ED CD . ? -0.751 83.6 -118.6 -92.5 140.7 53.8 -23.8 3.8 +8IRA V 124 ASP . . . > . . . - . . . . ? -0.619 22.8 -137.6 -68.1 127.8 56.1 -21.9 6.2 +8IRA V 125 PRO T . . 4 . . S + . . . . ? 0.787 99.0 44.5 -61.1 -27.6 59.1 -24.2 6.7 +8IRA V 126 ARG T . . 4 . . S + . . . . ? 0.941 127.4 22.4 -81.3 -52.1 59.2 -23.5 10.5 +8IRA V 127 THR T . . 4 . . S - . . . . ? 0.719 88.5 -134.8 -92.1 -26.6 55.5 -23.8 11.5 +8IRA V 128 GLY . . . < . . . + . . . . ? 0.490 64.3 125.6 79.2 6.1 54.2 -26.0 8.6 +8IRA V 129 GLU S . . . . . S - . . . . ? -0.636 75.0 -87.1 -92.4 152.7 51.1 -23.7 8.3 +8IRA V 130 PRO B . . . . . . + BC EE CD . ? -0.341 60.4 166.9 -56.7 137.3 50.1 -21.9 5.0 +8IRA V 131 ALA . . . . . . . - . . . . ? -0.983 27.8 -164.9 -159.4 141.3 51.9 -18.6 4.7 +8IRA V 132 LEU . . . . . . . - . . . . ? -0.997 22.9 -137.3 -130.8 125.7 52.7 -16.0 2.1 +8IRA V 133 ASP . . > > . . . - . . . . ? -0.625 27.2 -177.9 -81.6 84.7 55.4 -13.4 2.7 +8IRA V 134 LEU H . 3 > . . S + . . . . ? 0.837 73.3 57.7 -62.2 -38.7 53.3 -10.5 1.4 +8IRA V 135 PRO H . 3 > . . S + . . . . ? 0.920 113.8 38.6 -54.2 -44.5 56.1 -7.8 1.8 +8IRA V 136 LYS H . < > . . S + . . . . ? 0.873 111.5 57.6 -76.0 -38.2 58.5 -9.8 -0.5 +8IRA V 137 MET H . . X . . S + . . . . ? 0.910 106.1 51.8 -55.0 -43.8 55.7 -10.8 -2.9 +8IRA V 138 PHE H . . X . . S + . . . . ? 0.905 108.3 50.9 -58.4 -45.8 55.0 -7.1 -3.4 +8IRA V 139 GLY H . . X . . S + . . . . ? 0.953 111.6 47.0 -56.4 -51.4 58.7 -6.4 -4.1 +8IRA V 140 ILE H . . X . . S + . . . . ? 0.936 116.0 44.2 -55.2 -53.4 58.9 -9.2 -6.7 +8IRA V 141 HIS H . . X . . S + . . . . ? 0.876 112.3 51.6 -63.3 -42.9 55.6 -8.1 -8.4 +8IRA V 142 LEU H . . X . . S + . . . . ? 0.897 108.3 52.7 -60.6 -41.0 56.5 -4.4 -8.4 +8IRA V 143 PHE H . . X . . S + . . . . ? 0.912 111.2 46.5 -58.6 -45.2 59.9 -5.2 -10.0 +8IRA V 144 LEU H . . X . . S + . . . . ? 0.869 110.6 52.0 -65.6 -40.0 58.1 -7.1 -12.8 +8IRA V 145 ALA H . . X . . S + . . . . ? 0.899 109.3 51.8 -63.1 -42.6 55.6 -4.3 -13.2 +8IRA V 146 GLY H . . X . . S + . . . . ? 0.965 109.6 48.0 -51.7 -58.5 58.5 -1.9 -13.5 +8IRA V 147 LEU H . . X . . S + . . . . ? 0.902 116.0 44.1 -50.6 -51.2 60.2 -4.0 -16.2 +8IRA V 148 LEU H . . X . . S + . . . . ? 0.943 114.3 49.3 -60.8 -49.8 56.9 -4.3 -18.2 +8IRA V 149 CYS H . . X . . S + . . . . ? 0.947 114.3 45.5 -53.9 -53.1 56.1 -0.6 -17.7 +8IRA V 150 PHE H . . X . . S + . . . . ? 0.927 114.0 48.9 -53.7 -50.6 59.6 0.4 -18.9 +8IRA V 151 GLY H . . X > . S + . . . . ? 0.831 108.7 52.2 -63.6 -38.9 59.6 -2.0 -21.8 +8IRA V 152 PHE I . . < > . S + . . . . ? 0.940 117.8 39.4 -59.7 -50.8 56.2 -0.8 -23.0 +8IRA V 153 GLY I . . < > . S + . . . . ? 0.938 120.2 42.3 -61.1 -50.4 57.4 2.8 -22.9 +8IRA V 154 ALA I . . < 5 . S + . . . . ? 0.789 131.7 16.2 -78.0 -26.9 60.9 2.2 -24.3 +8IRA V 155 PHE I . . X 5 . S + . . . . ? 0.802 126.5 39.9 -114.6 -49.8 60.1 -0.3 -27.1 +8IRA V 156 HIS I . . 4 < . S + . . . . ? 0.976 122.0 36.3 -71.3 -55.8 56.4 -0.3 -28.0 +8IRA V 157 LEU I . . 4 < . S + . . . . ? 0.839 118.3 49.0 -72.3 -36.8 55.5 3.3 -27.8 +8IRA V 158 THR T . . 4 < . S - . . . . ? 0.719 104.0 -129.0 -69.4 -24.2 58.8 4.7 -29.2 +8IRA V 159 GLY S . > < . . S + . . . . ? 0.369 73.8 125.6 81.6 -3.4 58.6 2.2 -32.1 +8IRA V 160 LEU T . 3 . . . S - . . . . ? 0.874 100.3 -3.0 -45.6 -43.0 62.2 1.1 -31.4 +8IRA V 161 PHE T . 3 . . . S + . . . . ? -0.570 134.0 36.9 -154.3 84.0 60.6 -2.4 -31.3 +8IRA V 162 GLY S . < . . . S - . . . . ? -0.819 91.5 -82.7 148.2 173.0 56.8 -2.1 -31.7 +8IRA V 163 PRO . . . . . . . - . . . . ? 0.578 54.4 -132.7 -87.3 -13.4 54.3 -0.1 -33.6 +8IRA V 164 GLY . . . . . . . - . . . . ? -0.712 34.4 -75.2 93.3 -148.8 53.9 3.1 -31.5 +8IRA V 165 MET E . . . . . . - BD EF CE . ? -0.944 48.9 -73.6 -145.7 169.4 50.4 4.5 -30.6 +8IRA V 166 TRP E . . . . . . + BD EF CE . ? -0.374 53.5 167.6 -66.4 134.4 47.5 6.4 -32.2 +8IRA V 167 VAL E . . . . . . + BD EF CE . ? -0.943 5.7 175.5 -144.8 163.0 48.1 10.1 -32.7 +8IRA V 168 SER . . . . . . . - . . . . ? -0.989 35.6 -86.0 -164.1 160.4 46.3 12.8 -34.6 +8IRA V 169 ASP . . > . . . . - . . . . ? -0.275 59.5 -92.6 -65.6 165.0 46.1 16.5 -35.6 +8IRA V 170 PRO T . 3 . . . S + . . . . ? 0.499 124.8 49.1 -63.3 -5.2 44.1 18.7 -33.1 +8IRA V 171 TYR T . 3 . . . S - . . . . ? 0.193 109.8 -115.1 -121.3 14.8 40.8 18.2 -35.1 +8IRA V 172 GLY S . < . . . S + . . . . ? 0.857 78.7 121.3 58.6 42.1 40.9 14.4 -35.4 +8IRA V 173 LEU S . . . . . S + . . . . ? 0.780 73.3 29.2 -101.7 -35.4 41.2 14.5 -39.2 +8IRA V 174 THR S . . . . . S + . . . . ? -0.213 77.0 163.6 -128.0 40.3 44.4 12.6 -40.0 +8IRA V 175 GLY . . . . . . . + . . . . ? -0.205 5.7 147.4 -64.4 150.1 44.9 10.0 -37.2 +8IRA V 176 SER E . . . . . . - BD EG CE . ? -0.960 52.6 -86.1 -165.2 169.3 47.3 7.0 -37.6 +8IRA V 177 VAL E . . . . . . + BD EG CE . ? -0.834 55.8 164.9 -86.5 125.5 49.6 4.8 -35.5 +8IRA V 178 GLN E . . . . . . - BD EG CE . ? -0.979 43.0 -101.1 -134.9 151.4 53.0 6.5 -35.3 +8IRA V 179 PRO . . . . . . . - . . . . ? -0.439 40.3 -150.6 -62.2 146.0 56.2 6.0 -33.2 +8IRA V 180 VAL . . . . . . . - . . . . ? -0.994 3.0 -141.4 -129.6 127.9 56.3 8.7 -30.5 +8IRA V 181 ALA . . . . . . . - . . . . ? -0.571 33.8 -99.9 -82.6 146.8 59.5 10.1 -28.9 +8IRA V 182 PRO . . . . . . . - . . . . ? -0.360 24.7 -138.5 -65.0 147.0 59.5 10.9 -25.1 +8IRA V 183 GLU . . . . . . . + . . . . ? -0.951 22.3 177.4 -105.7 112.6 58.9 14.5 -24.0 +8IRA V 184 TRP . . . . . . . + . . . . ? 0.501 55.1 84.1 -95.0 -6.3 61.4 15.1 -21.1 +8IRA V 185 GLY S . > . . . S - . . . . ? -0.145 101.8 -84.3 -86.7 -175.9 60.4 18.8 -20.6 +8IRA V 186 PRO G . > . . . S + . . . . ? 0.688 122.8 68.0 -68.8 -18.3 57.4 20.2 -18.6 +8IRA V 187 ASP G . > . . . S + . . . . ? 0.601 79.1 82.6 -75.2 -11.0 55.0 19.7 -21.5 +8IRA V 188 GLY G . < . . . S + . . . . ? 0.722 87.7 55.0 -58.1 -23.3 55.5 16.0 -20.8 +8IRA V 189 PHE G . < . . . S + . . . . ? 0.296 80.4 111.6 -95.0 7.6 52.9 16.6 -18.1 +8IRA V 190 ASN . . X . . . . - . . . . ? -0.730 67.6 -143.0 -78.8 121.2 50.4 18.0 -20.6 +8IRA V 191 PRO T . 3 . . . S + . . . . ? 0.788 100.6 51.6 -60.5 -24.8 47.6 15.5 -20.8 +8IRA V 192 TYR T . 3 . . . S + . . . . ? 0.392 86.2 95.2 -92.8 0.9 47.3 16.2 -24.6 +8IRA V 193 ASN . . X > . . . - . . . . ? -0.837 57.6 -164.1 -91.3 112.0 51.0 15.7 -25.3 +8IRA V 194 PRO H . > > . . S + . . . . ? 0.854 86.9 65.3 -61.5 -34.7 51.5 12.0 -26.5 +8IRA V 195 GLY H . 3 > . . S + . . . . ? 0.803 93.8 61.0 -57.0 -32.1 55.3 12.3 -25.8 +8IRA V 196 GLY H . < > . . S + . . . . ? 0.805 99.1 56.4 -60.6 -33.5 54.5 12.7 -22.1 +8IRA V 197 VAL H . < X . . S + . . . . ? 0.896 108.6 46.1 -67.7 -41.5 52.9 9.2 -22.2 +8IRA V 198 VAL H . . X . . S + . . . . ? 0.958 114.0 48.0 -61.6 -49.7 56.1 7.7 -23.6 +8IRA V 199 ALA H . . X . . S + . . . . ? 0.861 106.8 58.7 -61.0 -39.2 58.2 9.5 -21.0 +8IRA V 200 HIS H . . X . . S + . . . . ? 0.907 107.8 43.7 -55.1 -51.9 55.8 8.5 -18.2 +8IRA V 201 HIS H . . X . . S + . . . . ? 0.892 114.5 49.3 -67.5 -40.3 56.3 4.7 -18.8 +8IRA V 202 ILE H . . X . . S + . . . . ? 0.977 119.9 36.5 -59.1 -56.0 60.1 5.0 -19.2 +8IRA V 203 ALA H . . X . . S + . . . . ? 0.910 119.2 46.8 -68.1 -46.7 60.6 7.0 -16.0 +8IRA V 204 ALA H . . X . . S + . . . . ? 0.833 110.1 56.5 -64.6 -36.1 57.9 5.4 -13.9 +8IRA V 205 GLY H . . X . . S + . . . . ? 0.919 106.7 47.7 -58.8 -46.2 59.2 2.0 -15.0 +8IRA V 206 ILE H . . X . . S + . . . . ? 0.913 111.9 50.0 -63.0 -42.6 62.7 2.7 -13.7 +8IRA V 207 VAL H . . X . . S + . . . . ? 0.879 109.1 54.0 -61.9 -36.3 61.3 4.0 -10.4 +8IRA V 208 GLY H . . X . . S + . . . . ? 0.884 107.6 49.1 -64.5 -40.4 59.3 0.7 -10.3 +8IRA V 209 ILE H . . X . . S + . . . . ? 0.963 115.0 44.6 -60.8 -50.4 62.4 -1.4 -10.8 +8IRA V 210 ILE H . . X . . S + . . . . ? 0.953 116.1 44.7 -64.2 -53.3 64.2 0.6 -8.0 +8IRA V 211 ALA H . . X . . S + . . . . ? 0.898 112.5 55.1 -54.5 -44.3 61.3 0.5 -5.6 +8IRA V 212 GLY H . . X . . S + . . . . ? 0.964 108.7 45.5 -49.4 -60.0 60.8 -3.2 -6.5 +8IRA V 213 LEU H . > X . . S + . . . . ? 0.885 111.9 53.6 -53.3 -43.8 64.4 -4.0 -5.6 +8IRA V 214 PHE H . 3 X . . S + . . . . ? 0.928 109.0 48.3 -57.3 -47.8 64.0 -2.0 -2.4 +8IRA V 215 HIS H . 3 < . . S + . . . . ? 0.597 111.1 51.1 -71.3 -15.9 60.9 -4.0 -1.4 +8IRA V 216 ILE H . < < . . S + . . . . ? 0.870 119.4 34.1 -80.6 -39.3 62.6 -7.3 -2.1 +8IRA V 217 LEU H . . < . . S + . . . . ? 0.654 108.9 65.6 -94.0 -23.8 65.7 -6.4 0.1 +8IRA V 218 VAL S . . < . . S - . . . . ? -0.923 72.4 -141.5 -112.1 118.0 64.3 -4.3 2.9 +8IRA V 219 ARG P . . . . > . - . . . . ? -0.377 34.1 -94.1 -68.6 148.4 61.8 -5.8 5.4 +8IRA V 220 PRO P . . . . P . - . . . . ? -0.292 45.0 -98.5 -59.4 145.0 58.9 -3.7 6.7 +8IRA V 221 PRO B . . > . < . - BE EH CF . ? -0.401 29.5 -121.7 -59.9 141.5 59.3 -1.7 9.9 +8IRA V 222 GLN H . . > . . S + . . . . ? 0.892 112.7 54.0 -48.0 -45.6 57.8 -3.5 12.9 +8IRA V 223 ARG H . . > . . S + . . . . ? 0.842 112.4 41.7 -66.5 -35.1 55.6 -0.5 13.6 +8IRA V 224 LEU H . . > . . S + . . . . ? 0.852 111.6 56.1 -77.3 -38.2 54.2 -0.4 10.0 +8IRA V 225 TYR H . . X > . S + . . . . ? 0.923 114.7 39.5 -56.5 -46.0 53.8 -4.3 9.9 +8IRA V 226 LYS H . . < 5 . S + . . . . ? 0.924 115.7 49.9 -71.3 -45.9 51.7 -4.1 13.1 +8IRA V 227 ALA H . . < 5 . S + . . . . ? 0.828 120.3 35.2 -65.6 -35.0 49.7 -1.0 12.2 +8IRA V 228 LEU H . . < 5 . S - . . . . ? 0.436 105.1 -124.1 -99.5 -1.1 48.8 -2.2 8.7 +8IRA V 229 ARG T . > < 5 . . + . . . . ? 0.953 37.8 177.2 59.8 54.8 48.4 -5.9 9.6 +8IRA V 230 MET T . 3 . < . S + . . . . ? 0.510 74.0 66.6 -74.3 -4.2 50.9 -7.0 7.0 +8IRA V 231 GLY T . 3 . . . S + . . . . ? 0.600 90.8 76.2 -79.8 -13.2 50.5 -10.6 8.2 +8IRA V 232 ASN S . X > . . S - . . . . ? -0.884 70.2 -150.8 -112.9 113.2 46.9 -10.6 7.0 +8IRA V 233 ILE H . 3 > . . S + . . . . ? 0.726 93.6 69.9 -55.4 -23.3 46.2 -10.9 3.2 +8IRA V 234 GLU H . 3 > . . S + . . . . ? 0.767 87.1 65.2 -70.4 -21.6 43.0 -8.9 3.6 +8IRA V 235 THR H . < > . . S + . . . . ? 0.940 101.7 50.5 -61.6 -39.3 45.1 -5.8 4.2 +8IRA V 236 VAL H . . X . . S + . . . . ? 0.906 108.0 51.7 -65.3 -41.3 46.3 -6.2 0.6 +8IRA V 237 LEU H . . X . . S + . . . . ? 0.944 109.9 50.2 -58.6 -46.1 42.8 -6.5 -0.6 +8IRA V 238 SER H . . X . . S + . . . . ? 0.934 116.7 38.7 -57.7 -54.3 41.8 -3.2 1.2 +8IRA V 239 SER H . . X . . S + . . . . ? 0.867 115.2 53.7 -65.0 -38.3 44.8 -1.2 -0.2 +8IRA V 240 SER H . . X . . S + . . . . ? 0.922 107.6 49.7 -66.6 -44.2 44.6 -2.8 -3.7 +8IRA V 241 ILE H . . X . . S + . . . . ? 0.896 109.6 53.6 -56.7 -44.1 40.9 -1.9 -4.1 +8IRA V 242 ALA H . . X . . S + . . . . ? 0.889 109.1 46.9 -58.9 -42.3 41.7 1.6 -3.0 +8IRA V 243 ALA H . . X . . S + . . . . ? 0.899 111.0 54.2 -65.8 -40.2 44.4 1.9 -5.7 +8IRA V 244 VAL H . . X . . S + . . . . ? 0.857 108.7 45.7 -64.0 -36.5 42.0 0.4 -8.3 +8IRA V 245 PHE H . . X . . S + . . . . ? 0.843 109.7 56.2 -81.8 -29.5 39.2 3.0 -7.6 +8IRA V 246 PHE H . . X . . S + . . . . ? 0.972 111.7 43.2 -55.1 -52.3 41.8 5.8 -7.7 +8IRA V 247 ALA H . . X . . S + . . . . ? 0.928 110.4 56.3 -60.6 -45.5 42.8 4.5 -11.2 +8IRA V 248 ALA H . . X . . S + . . . . ? 0.911 107.6 48.3 -54.4 -46.2 39.1 4.1 -12.2 +8IRA V 249 PHE H . . X . . S + . . . . ? 0.930 110.9 51.0 -59.8 -46.4 38.3 7.7 -11.4 +8IRA V 250 VAL H . . X . . S + . . . . ? 0.921 112.0 45.0 -58.2 -50.1 41.3 9.0 -13.4 +8IRA V 251 VAL H . . X . . S + . . . . ? 0.823 112.3 53.0 -66.9 -29.5 40.5 7.0 -16.5 +8IRA V 252 ALA H . . X . . S + . . . . ? 0.913 112.2 46.3 -67.4 -42.1 36.9 8.0 -16.3 +8IRA V 253 GLY H . . X . . S + . . . . ? 0.901 112.4 47.2 -63.9 -44.6 38.0 11.7 -16.1 +8IRA V 254 THR H . . X . . S + . . . . ? 0.860 109.6 55.4 -70.7 -32.0 40.5 11.5 -18.9 +8IRA V 255 MET H . . < . . S + . . . . ? 0.897 114.2 41.0 -61.7 -37.8 37.9 9.8 -21.1 +8IRA V 256 TRP H . . < . . S + . . . . ? 0.925 124.2 32.9 -81.9 -47.0 35.4 12.6 -20.4 +8IRA V 257 TYR H . . < . . S - . . . . ? 0.790 112.6 -123.3 -77.2 -25.4 37.7 15.7 -20.7 +8IRA V 258 GLY . . . < . . . - . . . . ? 0.128 33.3 -174.1 93.1 147.1 39.9 14.0 -23.3 +8IRA V 259 SER . . > . . . . - . . . . ? -0.927 48.1 -82.9 -157.1 177.9 43.6 13.3 -23.5 +8IRA V 260 ALA T . 3 . . . S + . . . . ? 0.726 128.4 54.3 -59.4 -24.9 46.3 12.0 -25.8 +8IRA V 261 THR T . 3 . . . S + . . . . ? 0.448 105.6 52.5 -92.2 1.5 45.2 8.5 -24.8 +8IRA V 262 THR S . < . . . S - . . . . ? -0.473 79.1 -173.6 -129.7 64.4 41.5 9.0 -25.6 +8IRA V 263 PRO . . > > . . . - . . . . ? -0.236 28.7 -127.6 -67.7 151.6 41.6 10.3 -29.3 +8IRA V 264 ILE H . 3 > . . S + . . . . ? 0.714 104.6 62.0 -74.6 -23.6 38.4 11.5 -30.9 +8IRA V 265 GLU H . 3 4 . . S + . . . . ? 0.661 113.8 36.8 -73.1 -19.3 38.7 9.3 -34.0 +8IRA V 266 LEU H . < 4 . . S + . . . . ? 0.753 135.7 17.5 -101.6 -36.2 38.5 6.2 -31.7 +8IRA V 267 PHE H . . < . . S - . . . . ? 0.526 107.3 -112.8 -113.7 -10.9 36.1 7.2 -29.0 +8IRA V 268 GLY . . . < . . . - . . . . ? -0.243 48.5 -44.4 100.4 170.6 34.3 10.2 -30.6 +8IRA V 269 PRO . . . . . . . - . . . . ? -0.181 57.6 -114.8 -65.8 163.3 34.2 13.9 -29.7 +8IRA V 270 THR . . > > . . . - . . . . ? -0.614 20.7 -117.2 -93.9 163.8 33.9 15.2 -26.2 +8IRA V 271 ARG H . > > . . S + . . . . ? 0.859 112.9 63.9 -66.8 -32.3 31.0 17.3 -24.9 +8IRA V 272 TYR H . 3 > . . S + . . . . ? 0.808 92.3 62.9 -68.1 -24.8 33.3 20.2 -24.3 +8IRA V 273 GLN H . < 4 > . S + . . . . ? 0.828 108.6 41.8 -68.2 -30.4 34.1 20.5 -28.0 +8IRA V 274 TRP H . X < 5 . S + . . . . ? 0.918 110.7 56.6 -75.6 -47.5 30.4 21.3 -28.6 +8IRA V 275 ASP H . 3 < 5 . S + . . . . ? 0.845 117.7 33.5 -51.7 -42.9 30.1 23.6 -25.6 +8IRA V 276 SER T . 3 < 5 . S - . . . . ? 0.369 106.9 -121.1 -97.8 3.8 33.0 25.8 -26.9 +8IRA V 277 SER T . < > 5 . . + . . . . ? 0.876 50.9 164.5 56.9 39.7 32.2 25.4 -30.6 +8IRA V 278 TYR H . . > < . S + . . . . ? 0.933 73.7 37.3 -51.3 -55.0 35.7 24.0 -31.1 +8IRA V 279 PHE H . . > . . S + . . . . ? 0.900 112.8 57.1 -69.8 -41.6 34.9 22.5 -34.5 +8IRA V 280 GLN H . . > . . S + . . . . ? 0.872 105.4 52.5 -54.1 -42.7 32.7 25.4 -35.7 +8IRA V 281 GLN H . . X . . S + . . . . ? 0.887 109.4 47.8 -63.2 -41.9 35.5 27.9 -35.0 +8IRA V 282 GLU H . . X . . S + . . . . ? 0.883 111.0 51.8 -66.1 -41.3 38.0 25.9 -37.2 +8IRA V 283 ILE H . . X . . S + . . . . ? 0.927 112.8 44.8 -57.2 -48.2 35.4 25.6 -39.9 +8IRA V 284 ASN H . . X . . S + . . . . ? 0.884 110.2 55.1 -66.9 -40.2 34.9 29.3 -39.9 +8IRA V 285 ARG H . . X . . S + . . . . ? 0.934 110.7 46.1 -54.5 -48.7 38.6 30.0 -39.7 +8IRA V 286 ARG H . . X . . S + . . . . ? 0.928 111.4 50.0 -62.7 -48.1 39.1 27.9 -42.9 +8IRA V 287 VAL H . . X . . S + . . . . ? 0.878 110.8 50.4 -57.8 -42.0 36.2 29.5 -44.8 +8IRA V 288 GLN H . . X . . S + . . . . ? 0.903 107.5 53.5 -61.2 -45.5 37.6 33.0 -44.0 +8IRA V 289 ALA H . . X . . S + . . . . ? 0.870 112.3 45.5 -57.5 -38.9 41.0 31.9 -45.2 +8IRA V 290 SER H . > < > . S + . . . . ? 0.942 113.4 47.7 -68.6 -49.3 39.4 30.9 -48.5 +8IRA V 291 LEU H . > < 5 . S + . . . . ? 0.920 108.3 55.9 -56.9 -47.2 37.3 34.0 -48.8 +8IRA V 292 ALA H . 3 < 5 . S + . . . . ? 0.755 105.2 53.0 -57.1 -30.3 40.3 36.2 -48.1 +8IRA V 293 SER T . < < 5 . S - . . . . ? 0.073 128.2 -97.4 -95.4 21.2 42.2 34.6 -51.0 +8IRA V 294 GLY T . < . 5 . S + . . . . ? 0.326 72.9 145.4 92.1 -5.5 39.3 35.3 -53.4 +8IRA V 295 ALA . . . . < . . - . . . . ? -0.277 49.6 -113.6 -65.1 151.1 37.3 32.1 -53.4 +8IRA V 296 THR . . . > . . . - . . . . ? -0.312 30.2 -101.7 -79.5 170.8 33.6 32.3 -53.7 +8IRA V 297 LEU H . . > . . S + . . . . ? 0.882 123.8 50.6 -63.3 -35.8 31.2 31.2 -50.9 +8IRA V 298 GLU H . . > . . S + . . . . ? 0.887 112.1 46.1 -68.2 -41.4 30.5 27.9 -52.8 +8IRA V 299 GLU H . . > . . S + . . . . ? 0.922 111.3 52.3 -66.6 -45.2 34.2 27.2 -53.2 +8IRA V 300 ALA H . . < . . S + . . . . ? 0.908 115.7 38.8 -60.0 -48.3 35.1 28.0 -49.6 +8IRA V 301 TRP H . > < . . S + . . . . ? 0.813 110.7 59.7 -73.3 -33.0 32.4 25.8 -48.1 +8IRA V 302 SER H . 3 < . . S + . . . . ? 0.769 99.0 59.5 -64.5 -26.1 33.0 23.0 -50.7 +8IRA V 303 ALA T . 3 < . . S + . . . . ? 0.596 79.7 104.6 -77.8 -12.7 36.6 22.8 -49.5 +8IRA V 304 ILE S . < . . . S - . . . . ? -0.561 79.3 -121.8 -68.6 123.6 35.5 21.9 -45.9 +8IRA V 305 PRO . . . > . . . - . . . . ? -0.421 11.5 -128.1 -65.8 145.1 36.1 18.2 -45.5 +8IRA V 306 GLU H . . > . . S + . . . . ? 0.752 106.8 61.0 -63.1 -27.4 33.0 16.2 -44.6 +8IRA V 307 LYS H . . > . . S + . . . . ? 0.903 105.4 46.1 -69.5 -41.1 34.8 14.6 -41.6 +8IRA V 308 LEU H . . > . . S + . . . . ? 0.889 111.8 51.0 -67.8 -41.8 35.3 18.0 -40.0 +8IRA V 309 ALA H . > < . . S + . . . . ? 0.878 104.7 59.0 -62.1 -36.9 31.7 19.1 -40.6 +8IRA V 310 PHE H . 3 < . . S + . . . . ? 0.778 99.8 55.6 -65.8 -33.3 30.5 15.8 -39.0 +8IRA V 311 TYR H . 3 < . . S + . . . . ? 0.717 95.2 69.4 -66.0 -27.3 32.2 16.7 -35.7 +8IRA V 312 ASP S . < < . . S + . . . . ? -0.233 82.7 97.7 -86.5 47.9 30.3 20.0 -35.7 +8IRA V 313 TYR B . > . . . S - BF EJ CG . ? -0.989 71.0 -140.0 -144.7 126.2 27.0 18.1 -35.0 +8IRA V 314 ILE G . > . . . S + . . . . ? 0.685 96.0 75.4 -66.5 -17.8 25.3 17.6 -31.7 +8IRA V 315 GLY G . 3 . . . S + . . . . ? 0.615 97.4 48.3 -67.9 -13.1 24.3 14.0 -32.6 +8IRA V 316 ASN G . < . . . S + . . . . ? 0.247 85.0 110.3 -103.8 6.4 28.0 13.1 -32.0 +8IRA V 317 ASN . . X . . . . - . . . . ? -0.750 66.0 -145.4 -81.1 121.8 28.0 14.9 -28.7 +8IRA V 318 PRO T . 3 . . . S + . . . . ? 0.468 92.0 69.3 -70.3 -2.7 28.3 12.2 -25.9 +8IRA V 319 ALA T . 3 . . . S + . . . . ? 0.053 83.4 73.6 -101.1 21.5 26.1 14.2 -23.6 +8IRA V 320 LYS S . < . . . S + . . . . ? 0.198 78.7 89.1 -118.2 9.9 23.0 13.8 -25.6 +8IRA V 321 GLY . . . . . . . - . . . . ? -0.079 63.0 -130.4 -96.3 -165.5 22.1 10.2 -24.9 +8IRA V 322 GLY B . > . . . . - BG EL CH . ? -0.987 23.6 -110.4 -150.7 156.4 20.0 8.4 -22.3 +8IRA V 323 LEU T . 3 . . . S + . . . . ? 0.782 115.2 31.9 -54.6 -39.7 20.5 5.4 -19.9 +8IRA V 324 PHE T . 3 . . . S + . . . . ? 0.234 86.7 105.6 -109.7 11.0 18.1 3.0 -21.6 +8IRA V 325 ARG . . < . . . . - . . . . ? -0.823 66.7 -161.5 -86.6 102.7 18.5 4.2 -25.2 +8IRA V 326 THR . . . . . . . + . . . . ? -0.294 30.1 20.6 -96.8 166.8 20.6 1.2 -26.2 +8IRA V 327 GLY S . . . . . S - . . . . ? -0.141 93.8 -18.3 81.6 -168.1 23.0 0.2 -29.0 +8IRA V 328 PRO . . > . . . . - . . . . ? -0.125 61.3 -110.2 -72.9 168.6 25.1 2.2 -31.5 +8IRA V 329 MET G . > > > . S + . . . . ? 0.797 114.9 69.2 -67.2 -30.0 24.5 5.9 -32.3 +8IRA V 330 ASN G . 3 4 5 . S + . . . . ? 0.703 87.2 66.7 -61.1 -23.7 23.4 4.8 -35.8 +8IRA V 331 LYS G . < 4 5 . S + . . . . ? 0.733 107.6 41.0 -72.0 -19.1 20.3 3.3 -34.2 +8IRA V 332 GLY T . < 4 5 . S + . . . . ? 0.898 132.5 8.8 -89.9 -84.4 19.2 6.9 -33.3 +8IRA V 333 ASP T . . < 5 . S - . . . . ? 0.622 109.9 -118.3 -76.4 -10.9 19.8 9.5 -36.0 +8IRA V 334 GLY . . . . < . . - . . . . ? -0.487 44.7 -40.1 104.0 -178.1 20.7 6.9 -38.5 +8IRA V 335 ILE E . . . . . . - BH EN CI . ? -0.809 65.2 -122.8 -86.7 110.8 23.8 6.0 -40.6 +8IRA V 336 ALA E . . . . . . + BH EN CI . ? -0.288 36.8 172.1 -56.7 134.1 25.3 9.3 -41.8 +8IRA V 337 GLN E . . . . . . - BH EN . . ? 0.748 54.6 -10.0 -112.2 -44.6 25.5 9.3 -45.6 +8IRA V 338 ALA E . . . . . . - BH EN CI . ? -0.994 61.0 -106.2 -160.7 147.7 26.5 12.8 -46.7 +8IRA V 339 TRP E . . . . . . - BH EN CI . ? -0.691 24.9 -155.7 -72.5 128.5 27.0 16.4 -45.7 +8IRA V 340 LYS E . . . . . . - BH EN . . ? 0.741 47.1 -105.4 -76.8 -22.4 24.1 18.4 -47.1 +8IRA V 341 GLY E . . . . . . - BH EN CI . ? -0.460 45.8 -51.5 115.9 166.8 26.2 21.6 -47.0 +8IRA V 342 HIS E . . . . . . - BI EP CJ . ? -0.681 53.3 -137.8 -80.8 125.6 26.3 24.7 -44.8 +8IRA V 343 ALA E . . . . . . - BI EP CJ . ? -0.706 17.2 -169.4 -84.4 127.9 22.9 26.4 -44.4 +8IRA V 344 VAL E . . . . . . - BI EP CJ . ? -0.991 7.8 -156.4 -118.7 125.0 22.8 30.1 -44.6 +8IRA V 345 PHE E . . . . . . + BI EP CJ CK ? -0.838 13.9 177.1 -103.0 136.8 19.6 31.8 -43.6 +8IRA V 346 ARG E . . . . . . - BI EP CJ CK ? -0.957 19.1 -137.2 -133.7 153.6 18.6 35.3 -44.8 +8IRA V 347 ASN . . > . . . . - . . . . ? -0.373 43.8 -86.0 -96.6 -178.0 15.5 37.5 -44.2 +8IRA V 348 LYS T . 3 . . . S + . . . . ? 0.774 129.1 57.5 -65.5 -27.7 13.6 39.5 -46.9 +8IRA V 349 GLU T . 3 . . . S - . . . . ? 0.559 117.8 -114.2 -70.6 -12.8 16.0 42.5 -46.3 +8IRA V 350 GLY . . < . . . . + . . . . ? 0.425 65.5 148.7 88.2 1.0 18.9 40.1 -47.2 +8IRA V 351 GLU . . . . . . . - . . . . ? -0.519 51.4 -117.2 -70.1 131.5 20.4 40.2 -43.6 +8IRA V 352 GLU E . . . . . . - BI EQ CK . ? -0.481 32.5 -158.1 -69.7 138.0 22.2 37.0 -42.7 +8IRA V 353 LEU E . . . . . . - BI EQ CK . ? -0.918 5.2 -147.0 -123.8 149.5 20.6 35.2 -39.8 +8IRA V 354 PHE E . . . . . . - BJ ET CM . ? -0.960 13.9 -131.1 -123.8 128.9 22.1 32.6 -37.4 +8IRA V 355 VAL E . . . . > . - BJ ET CM . ? -0.616 27.6 -119.5 -75.4 129.6 20.2 29.8 -35.7 +8IRA V 356 ARG P . . . . P . - . . . . ? -0.608 35.3 -126.3 -70.1 121.0 20.8 29.5 -32.0 +8IRA V 357 ARG P . . . . P . - . . . . ? -0.357 22.3 -101.6 -73.3 151.7 22.3 26.1 -31.4 +8IRA V 358 MET P . . . . P . - . . . . ? -0.556 30.4 -133.7 -72.4 122.9 20.9 23.6 -28.9 +8IRA V 359 PRO P . > . . < . - . . . . ? -0.518 23.6 -116.3 -69.7 148.1 22.8 23.3 -25.5 +8IRA V 360 ALA T . 3 . . . S + . . . . ? 0.692 110.1 68.9 -58.5 -22.9 23.4 19.7 -24.5 +8IRA V 361 PHE T . 3 . . . S + . . . . ? 0.796 86.8 81.9 -67.6 -26.4 21.2 20.2 -21.4 +8IRA V 362 PHE . . < . . . . - . . . . ? -0.714 52.3 -170.1 -98.1 120.3 18.0 20.4 -23.6 +8IRA V 363 GLU S . . . . . S + . . . . ? 0.850 90.2 17.5 -65.3 -33.7 16.1 17.4 -24.9 +8IRA V 364 SER S . . . . . S - . . . . ? -0.957 72.8 -174.2 -137.5 156.7 14.2 20.0 -27.0 +8IRA V 365 PHE . . . . . . . - . . . . ? -0.997 25.7 -111.0 -152.7 141.7 14.9 23.6 -27.9 +8IRA V 366 PRO . . . . . . . - . . . . ? -0.306 33.3 -112.3 -70.4 164.1 13.0 26.4 -29.7 +8IRA V 367 VAL . . . . . . . + . . . . ? -0.900 45.2 166.8 -101.9 109.7 14.1 27.7 -33.2 +8IRA V 368 ILE E . . . . . . - BJ EU . CN ? -0.986 19.0 -160.9 -129.3 134.2 15.4 31.2 -32.8 +8IRA V 369 LEU E . . . . . . - BJ EU CM CN ? -0.975 11.9 -175.9 -118.9 125.2 17.4 33.2 -35.5 +8IRA V 370 THR E . . . . . . - BJ EU CM CN ? -0.742 25.2 -116.3 -110.4 161.1 19.5 36.2 -34.6 +8IRA V 371 ASP . . > . . . . - . . . . ? -0.302 52.6 -83.1 -77.4 178.3 21.5 38.8 -36.6 +8IRA V 372 LYS T . 3 . . . S + . . . . ? 0.790 132.8 57.0 -59.2 -28.6 25.3 39.0 -36.1 +8IRA V 373 ASN T . 3 . . . S - . . . . ? 0.355 119.8 -109.7 -78.5 0.8 24.6 41.2 -33.0 +8IRA V 374 GLY . . < . . . . + . . . . ? 0.646 69.2 145.9 77.0 15.1 22.5 38.5 -31.4 +8IRA V 375 VAL . . . . . . . - . . . . ? -0.732 56.3 -109.6 -83.3 134.4 19.2 40.5 -31.9 +8IRA V 376 VAL E . . . . . . + BJ EV CN . ? -0.456 48.0 158.7 -68.1 128.7 16.2 38.2 -32.5 +8IRA V 377 LYS E . . . . . . + BJ EV . . ? 0.562 61.3 11.6 -124.3 -23.6 15.0 38.4 -36.1 +8IRA V 378 ALA E . . . . . . + BJ EV CN . ? -0.990 58.2 161.6 -156.2 152.9 13.0 35.2 -36.7 +8IRA V 379 ASP E . . . . . . - BJ EV CN . ? -0.954 44.4 -103.3 -155.5 170.6 11.6 32.2 -34.9 +8IRA V 380 ILE . . . . . . . - . . . . ? -0.942 50.1 -138.3 -98.0 112.0 9.1 29.3 -35.1 +8IRA V 381 PRO . . . . . . . - . . . . ? -0.349 19.9 -161.5 -74.2 151.2 6.2 30.6 -32.9 +8IRA V 382 PHE S . . . . . S + . . . . ? 0.870 90.9 38.4 -85.6 -69.8 4.3 28.5 -30.5 +8IRA V 383 ARG S . > . . . S - . . . . ? -0.744 73.6 -170.0 -80.6 116.6 1.3 30.8 -30.2 +8IRA V 384 ARG G . > . . . . + . . . . ? 0.738 67.2 81.2 -78.2 -25.3 0.7 32.2 -33.7 +8IRA V 385 ALA G . 3 . . . S + . . . . ? 0.614 106.1 25.9 -70.3 -15.7 -1.9 34.8 -32.9 +8IRA V 386 GLU G . < . . . S + . . . . ? 0.000 87.7 146.2 -130.3 30.8 0.6 37.5 -31.7 +8IRA V 387 SER . . < . . . . + . . . . ? -0.473 15.8 165.8 -65.5 128.7 3.6 36.3 -33.8 +8IRA V 388 LYS S . . . . . S + . . . . ? 0.541 73.5 47.7 -111.9 -16.0 5.9 39.0 -35.0 +8IRA V 389 TYR S . . . . . S + . . . . ? 0.150 71.7 140.8 -119.5 16.9 8.9 37.0 -36.0 +8IRA V 390 SER . . . > . . . - . . . . ? -0.162 61.8 -119.3 -58.7 155.6 7.5 34.1 -38.1 +8IRA V 391 PHE H . . > > . S + . . . . ? 0.824 116.6 56.5 -61.6 -33.1 9.5 32.9 -41.2 +8IRA V 392 GLU H . . 4 5 . S + . . . . ? 0.892 110.5 42.1 -66.9 -41.8 6.4 33.9 -43.2 +8IRA V 393 GLN H . . 4 5 . S + . . . . ? 0.833 121.3 41.4 -70.2 -35.2 6.4 37.5 -41.9 +8IRA V 394 GLN H . . < 5 . S - . . . . ? 0.372 102.6 -127.6 -99.7 0.2 10.2 37.8 -42.2 +8IRA V 395 GLY T . . < 5 . . - . . . . ? 0.902 34.7 -166.9 55.1 50.6 10.6 36.1 -45.6 +8IRA V 396 VAL . . . . < . . - . . . . ? -0.543 9.2 -179.9 -76.7 128.6 13.2 33.7 -44.3 +8IRA V 397 THR E . . . . . . - BI ER CJ . ? -0.808 15.0 -147.2 -117.7 162.6 15.1 31.8 -47.0 +8IRA V 398 VAL E . . . . . . - BI ER CJ CL ? -0.999 9.8 -170.6 -132.1 134.2 18.0 29.3 -46.8 +8IRA V 399 SER E . . . . . . - BI ER CJ CL ? -0.965 15.3 -139.1 -118.8 141.4 20.8 28.7 -49.2 +8IRA V 400 PHE E . . . . . . - BI ER CJ . ? -0.866 14.2 -172.1 -103.7 133.0 23.3 25.8 -49.1 +8IRA V 401 TYR E . . . . . . - BI ER CJ . ? -0.990 60.6 -1.3 -121.2 131.8 27.0 26.1 -49.8 +8IRA V 402 GLY S . . . . . S + . . . . ? -0.122 100.3 57.1 77.4 175.0 29.2 23.0 -50.0 +8IRA V 403 GLY S . > . . . S - . . . . ? 0.005 111.2 -38.9 62.5 -164.8 27.9 19.5 -49.6 +8IRA V 404 GLU T . 3 . . . S + . . . . ? 0.699 138.1 47.1 -72.9 -24.8 25.1 17.8 -51.6 +8IRA V 405 LEU T . > . . . S + . . . . ? 0.269 78.3 154.1 -100.8 11.8 22.8 20.9 -51.8 +8IRA V 406 ASN T . < . . . . + . . . . ? -0.091 68.7 12.6 -44.3 124.9 25.6 23.2 -52.8 +8IRA V 407 GLY T . 3 . . . S + . . . . ? 0.219 97.3 121.4 95.7 -13.3 24.2 26.1 -54.8 +8IRA V 408 GLN . . < . . . . - . . . . ? -0.616 42.1 -162.4 -90.6 143.7 20.5 25.6 -54.0 +8IRA V 409 THR E . . . . . . - BI ES CL . ? -0.978 3.2 -157.9 -119.9 137.7 18.2 28.1 -52.4 +8IRA V 410 PHE E . . . . . . + BI ES CL . ? -0.964 17.0 168.5 -115.6 133.4 14.8 27.2 -50.7 +8IRA V 411 THR . . . . . . . + . . . . ? 0.574 43.8 101.5 -118.6 -19.2 12.2 29.9 -50.3 +8IRA V 412 ASP S . > > . . S - . . . . ? -0.582 72.7 -130.4 -76.2 127.6 8.9 28.1 -49.3 +8IRA V 413 PRO H . 3 > . . S + . . . . ? 0.814 101.2 57.1 -52.5 -41.3 8.4 28.4 -45.5 +8IRA V 414 PRO H . 3 > . . S + . . . . ? 0.950 112.7 41.8 -54.3 -47.6 7.8 24.6 -44.7 +8IRA V 415 THR H . < > . . S + . . . . ? 0.913 114.8 50.1 -66.9 -43.2 11.1 23.6 -46.3 +8IRA V 416 VAL H . . X . . S + . . . . ? 0.919 111.0 49.2 -60.6 -46.1 13.0 26.6 -44.7 +8IRA V 417 LYS H . . X . . S + . . . . ? 0.838 107.1 58.0 -60.2 -36.8 11.5 25.7 -41.3 +8IRA V 418 SER H . . X . . S + . . . . ? 0.941 110.0 41.0 -59.0 -50.3 12.6 22.1 -41.8 +8IRA V 419 TYR H . . X . . S + . . . . ? 0.866 111.2 57.3 -69.5 -34.2 16.2 23.0 -42.3 +8IRA V 420 ALA H . . X . . S + . . . . ? 0.888 103.4 54.0 -64.7 -37.4 16.2 25.5 -39.5 +8IRA V 421 ARG H . . < . . S + . . . . ? 0.845 112.0 44.8 -60.4 -38.0 15.0 22.8 -37.1 +8IRA V 422 LYS H . > < . . S + . . . . ? 0.781 101.9 68.2 -73.4 -28.1 18.0 20.7 -38.2 +8IRA V 423 ALA H . > < . . S + . . . . ? 0.738 84.4 69.3 -68.3 -23.0 20.3 23.7 -37.9 +8IRA V 424 ILE T . 3 < . . S + . . . . ? 0.744 96.8 55.5 -65.2 -22.4 20.0 23.8 -34.1 +8IRA V 425 PHE T . < . . . S - . . . . ? 0.385 116.6 -118.9 -85.9 0.6 22.0 20.5 -34.1 +8IRA V 426 GLY B . < . . . S + BF EK CG . ? -0.803 77.5 24.0 98.2 -139.4 24.8 22.2 -36.1 +8IRA V 427 GLU S . . . . . S - . . . . ? -0.379 82.3 -121.9 -69.6 146.5 25.8 21.0 -39.5 +8IRA V 428 ILE E . . . . . . - BH EO CI . ? -0.741 30.6 -174.4 -102.3 133.5 23.1 19.1 -41.4 +8IRA V 429 PHE E . . . . . . - BH EO CI . ? -0.865 27.9 -121.1 -127.0 152.0 23.5 15.6 -42.7 +8IRA V 430 GLU E . . . . . . - BH EO CI . ? -0.824 38.3 -165.3 -85.7 132.5 21.7 13.0 -44.8 +8IRA V 431 PHE E . . . . . . - BH EO CI . ? -0.971 24.6 -134.8 -125.7 138.9 21.0 9.9 -42.8 +8IRA V 432 ASP E . . . . . . + BH EO CI . ? -0.852 30.9 166.8 -84.8 109.7 19.9 6.3 -43.6 +8IRA V 433 THR . . . . > . . + . . . . ? 0.519 64.6 65.5 -98.0 -7.7 17.2 5.6 -41.0 +8IRA V 434 GLU T . > . 5 . S + . . . . ? 0.933 85.4 63.7 -81.9 -50.1 15.9 2.4 -42.8 +8IRA V 435 THR T . 3 . 5 . S + . . . . ? 0.851 121.8 21.0 -46.1 -51.6 18.8 -0.1 -42.6 +8IRA V 436 LEU T . 3 . 5 . S - . . . . ? 0.249 107.4 -116.2 -99.5 10.8 18.8 -0.3 -38.8 +8IRA V 437 ASN T . < . 5 . . - . . . . ? 0.961 42.9 -156.7 45.1 61.6 15.3 0.9 -38.4 +8IRA V 438 SER . . . . < . . - . . . . ? -0.386 14.2 -149.4 -71.7 145.3 16.6 4.0 -36.5 +8IRA V 439 ASP . . . . . . . - . . . . ? 0.426 34.3 -115.5 -100.9 -3.0 14.2 5.7 -34.2 +8IRA V 440 GLY S . . . . . S + . . . . ? 0.556 74.3 121.9 86.2 9.3 15.4 9.3 -34.4 +8IRA V 441 ILE . . . . . . . - . . . . ? -0.918 65.1 -110.7 -115.3 130.2 16.5 9.6 -30.7 +8IRA V 442 PHE . . . . . . . - . . . . ? -0.199 30.9 -165.9 -65.1 139.3 20.1 10.5 -29.8 +8IRA V 443 ARG . . . . . . . - . . . . ? -0.833 21.6 -109.7 -118.1 159.3 22.4 7.9 -28.2 +8IRA V 444 THR . . . . . . . - . . . . ? -0.426 30.1 -118.9 -84.9 165.4 25.7 8.4 -26.4 +8IRA V 445 SER . . . > . . . - . . . . ? -0.355 36.2 -91.4 -91.0 173.9 29.1 7.2 -27.8 +8IRA V 446 PRO H . . > . . S + . . . . ? 0.845 128.0 61.8 -51.1 -31.7 31.6 4.7 -26.3 +8IRA V 447 ARG H . . > . . S + . . . . ? 0.931 106.7 44.9 -61.2 -44.9 33.2 7.8 -24.6 +8IRA V 448 GLY H . . > . . S + . . . . ? 0.965 117.0 43.1 -58.1 -56.9 29.9 8.2 -22.8 +8IRA V 449 TRP H . . X . . S + . . . . ? 0.892 112.4 52.5 -61.1 -44.9 29.4 4.6 -21.9 +8IRA V 450 PHE H . . X . . S + . . . . ? 0.930 112.5 46.2 -55.4 -48.9 33.1 4.1 -20.8 +8IRA V 451 THR H . . X . . S + . . . . ? 0.928 111.9 49.1 -62.2 -51.4 32.9 7.0 -18.5 +8IRA V 452 PHE H . . X . . S + . . . . ? 0.955 113.3 46.3 -52.3 -55.6 29.6 6.1 -16.9 +8IRA V 453 ALA H . . X . . S + . . . . ? 0.898 115.4 45.4 -59.6 -43.7 30.6 2.6 -16.2 +8IRA V 454 HIS H . . X . . S + . . . . ? 0.866 111.7 51.1 -72.3 -36.1 34.0 3.5 -14.8 +8IRA V 455 ALA H . . X . . S + . . . . ? 0.920 113.2 46.7 -64.3 -40.5 32.7 6.3 -12.6 +8IRA V 456 VAL H . . X . . S + . . . . ? 0.930 113.3 47.8 -69.2 -44.0 30.1 4.0 -11.1 +8IRA V 457 PHE H . . X . . S + . . . . ? 0.888 109.2 53.9 -62.2 -38.4 32.5 1.2 -10.5 +8IRA V 458 ALA H . . X . . S + . . . . ? 0.928 110.0 46.9 -63.2 -42.7 35.0 3.5 -8.9 +8IRA V 459 LEU H . . X . . S + . . . . ? 0.897 113.0 49.0 -67.6 -39.5 32.4 4.7 -6.4 +8IRA V 460 LEU H . . X . . S + . . . . ? 0.881 107.5 55.0 -64.4 -39.4 31.3 1.2 -5.6 +8IRA V 461 PHE H . . X . . S + . . . . ? 0.856 96.7 65.7 -67.4 -30.8 34.9 0.1 -5.1 +8IRA V 462 PHE H . . X . . S + . . . . ? 0.923 101.9 48.8 -49.9 -46.0 35.2 2.8 -2.5 +8IRA V 463 PHE H . . X . . S + . . . . ? 0.917 107.9 54.1 -62.1 -44.3 32.7 0.9 -0.5 +8IRA V 464 GLY H . . X . . S + . . . . ? 0.856 107.9 50.5 -54.3 -38.4 34.7 -2.3 -1.0 +8IRA V 465 HIS H . . X . . S + . . . . ? 0.941 111.3 47.0 -66.9 -49.7 37.8 -0.5 0.4 +8IRA V 466 ILE H . . X . . S + . . . . ? 0.880 114.7 48.2 -54.4 -43.6 36.0 0.7 3.5 +8IRA V 467 TRP H . . X . . S + . . . . ? 0.940 117.2 38.8 -67.8 -50.9 34.5 -2.7 4.1 +8IRA V 468 HIS H . . X . . S + . . . . ? 0.843 114.9 54.4 -72.2 -30.7 37.7 -4.7 3.7 +8IRA V 469 GLY H . . X . . S + . . . . ? 0.904 108.6 49.8 -62.0 -43.3 39.7 -2.1 5.5 +8IRA V 470 ALA H . . X . . S + . . . . ? 0.930 109.0 51.7 -61.1 -46.1 37.3 -2.3 8.4 +8IRA V 471 ARG H . . < . . S + . . . . ? 0.809 109.5 50.7 -61.5 -32.8 37.7 -6.1 8.4 +8IRA V 472 THR H . > < . . S + . . . . ? 0.957 116.7 37.6 -68.5 -50.2 41.5 -5.9 8.6 +8IRA V 473 LEU H . 3 < . . S + . . . . ? 0.587 126.2 37.9 -82.0 -14.0 41.7 -3.5 11.5 +8IRA V 474 PHE T . > < . . S + . . . . ? 0.071 72.8 124.3 -125.0 23.9 38.7 -5.0 13.4 +8IRA V 475 ARG G . X . . . S + . . . . ? 0.848 70.4 62.4 -48.9 -41.5 39.3 -8.7 12.7 +8IRA V 476 ASP G . 3 . . . S + . . . . ? 0.677 112.8 33.9 -63.7 -21.0 39.4 -9.3 16.5 +8IRA V 477 VAL G . X . . . S + . . . . ? 0.062 80.9 114.3 -120.6 23.0 35.8 -8.1 16.9 +8IRA V 478 PHE T . < . . . S + . . . . ? 0.882 85.4 39.9 -62.1 -39.9 34.3 -9.3 13.6 +8IRA V 479 SER T . 3 . . . S - . . . . ? 0.488 133.1 -59.9 -86.4 -7.4 32.0 -11.8 15.3 +8IRA V 480 GLY . . < . . . . - . . . . ? -0.846 61.2 -66.7 148.9 174.8 31.1 -9.5 18.2 +8IRA V 481 ILE B . . . . . . - AU DN BU . ? -0.694 68.4 -75.9 -96.0 153.5 32.6 -7.5 21.1 +8IRA V 482 ASP . . > . . . . - . . . . ? -0.142 34.5 -140.5 -49.9 126.6 34.1 -9.1 24.2 +8IRA V 483 PRO T . 3 . . . S + . . . . ? 0.783 104.9 48.3 -59.6 -26.6 31.4 -10.6 26.4 +8IRA V 484 GLU T . 3 . . . S + . . . . ? -0.169 79.5 166.1 -103.4 38.6 33.5 -9.3 29.4 +8IRA V 485 LEU . . < . . . . - . . . . ? -0.367 46.6 -111.4 -62.6 120.5 34.1 -5.8 28.1 +8IRA V 486 SER . . > > . . . - . . . . ? -0.358 19.0 -149.2 -57.3 112.9 35.4 -3.8 31.0 +8IRA V 487 PRO H . 3 > . . S + . . . . ? 0.744 98.1 59.9 -59.8 -19.9 32.6 -1.2 31.9 +8IRA V 488 GLU H . 3 4 . . S + . . . . ? 0.780 97.2 58.5 -73.3 -32.5 35.4 1.1 33.0 +8IRA V 489 GLN H . < 4 . . S + . . . . ? 0.790 115.2 35.1 -65.5 -29.4 37.0 1.1 29.5 +8IRA V 490 VAL H . . < . . S + . . . . ? 0.666 105.5 77.8 -101.7 -24.0 33.8 2.4 28.0 +8IRA V 491 GLU S . > < . . S - . . . . ? -0.554 85.8 -106.2 -86.7 155.8 32.6 4.7 30.8 +8IRA V 492 TRP T . 3 . . . S + . . . . ? -0.489 91.7 32.6 -84.1 149.5 34.2 8.2 31.3 +8IRA V 493 GLY T . 3 . . . S + . . . . ? 0.129 93.8 86.5 103.1 -16.6 36.5 9.1 34.2 +8IRA V 494 PHE S . < . . . S + . . . . ? 0.909 88.0 37.0 -88.1 -48.0 38.3 5.8 34.6 +8IRA V 495 TYR . . . . . . . - . . . . ? -0.881 62.0 -150.1 -108.6 140.8 41.2 5.9 32.1 +8IRA V 496 GLN S . . . . . S + . . . . ? 0.937 95.4 41.1 -69.6 -49.1 43.2 9.0 31.2 +8IRA V 497 LYS B . > . . . S - BK EW CO . ? -0.900 103.3 -110.6 -101.3 128.0 43.8 7.7 27.7 +8IRA V 498 VAL T . 3 . . . S + . . . . ? -0.349 98.4 5.0 -64.4 128.2 40.7 6.1 26.1 +8IRA V 499 GLY T . 3 . . . S + . . . . ? 0.139 100.1 113.9 88.0 -18.7 41.2 2.3 25.7 +8IRA V 500 ASP . . X . . . . - . . . . ? -0.791 45.1 -170.9 -94.0 109.8 44.6 2.2 27.5 +8IRA V 501 VAL G . > . . . S + . . . . ? 0.700 78.9 71.0 -75.4 -20.5 44.2 0.3 30.8 +8IRA V 502 THR G . 3 . . . S + . . . . ? 0.447 91.5 63.5 -74.4 -0.7 47.7 1.3 32.0 +8IRA V 503 THR G . < . . . . . . . . . ? -0.129 . . -117.2 36.5 46.4 4.8 32.6 +8IRA V 504 ARG . . < . . . . . . . . . ? 0.964 . . -71.0 . 43.7 4.3 35.2 +8IRA W 1 ASN . . . . . . . . . . . . ? . . . . -48.9 11.6 22.7 54.2 +8IRA W 2 SER . . > . . . . - . . . . ? -0.700 . -132.2 -105.7 155.7 12.0 20.2 51.4 +8IRA W 3 ILE T . 3 . . . S + . . . . ? 0.713 113.7 45.2 -73.3 -21.7 11.7 20.5 47.6 +8IRA W 4 PHE T . 3 . . . S + . . . . ? 0.118 80.1 110.0 -105.3 19.4 9.5 17.3 47.6 +8IRA W 5 ALA . . < . . . . + . . . . ? 0.707 69.4 61.6 -70.7 -24.2 7.4 18.4 50.6 +8IRA W 6 THR S . . . . . S - . . . . ? -0.380 89.5 -114.5 -93.8 175.7 4.2 18.9 48.6 +8IRA W 7 ASN S . . . . . S + . . . . ? 0.250 94.3 96.1 -88.2 11.2 2.2 16.5 46.5 +8IRA W 8 ARG . . . . . . . + . . . . ? -0.415 70.0 77.1 -104.1 53.9 3.1 18.5 43.4 +8IRA W 9 ASP S . . > . . S - . . . . ? -0.925 89.8 -102.1 -150.5 170.9 6.1 16.4 42.3 +8IRA W 10 GLN H . . > . . S + . . . . ? 0.763 114.7 60.4 -70.0 -27.7 6.7 13.1 40.5 +8IRA W 11 GLU H . . 4 . . S + . . . . ? 0.916 113.3 34.8 -69.9 -44.3 7.5 11.2 43.8 +8IRA W 12 SER H . . 4 . . S + . . . . ? 0.842 129.5 32.3 -73.4 -38.3 4.1 11.8 45.3 +8IRA W 13 SER H . . < . . S - . . . . ? 0.720 90.0 -130.6 -99.6 -28.5 2.0 11.6 42.1 +8IRA W 14 GLY S . . < . . S + . . . . ? 0.256 75.0 105.9 90.9 -10.6 3.7 9.1 39.8 +8IRA W 15 PHE . . . . . . . - . . . . ? -0.882 67.6 -128.2 -108.9 135.2 3.6 11.6 36.9 +8IRA W 16 ALA . . > . . . . - . . . . ? -0.262 33.1 -100.5 -74.6 163.6 6.5 13.5 35.5 +8IRA W 17 TRP G . > . . . S + . . . . ? 0.786 120.4 61.6 -55.4 -34.0 6.4 17.3 35.0 +8IRA W 18 TRP G . 3 . . . S + . . . . ? 0.563 113.5 37.0 -74.3 -9.7 5.7 17.0 31.3 +8IRA W 19 ALA G . X . . . S + . . . . ? -0.232 83.9 134.4 -123.1 38.6 2.5 15.2 32.2 +8IRA W 20 GLY G . X . . . . + . . . . ? 0.795 59.4 62.6 -60.7 -34.8 2.0 17.4 35.2 +8IRA W 21 ASN G . > . . . S + . . . . ? 0.664 89.0 70.9 -72.0 -13.4 -1.7 18.2 34.6 +8IRA W 22 ALA G . X . . . S + . . . . ? 0.636 82.6 73.5 -73.0 -14.2 -2.4 14.4 35.0 +8IRA W 23 ARG G . < . . . S + . . . . ? 0.599 89.6 61.1 -68.7 -13.5 -1.6 15.0 38.7 +8IRA W 24 LEU G . X . . . . + . . . . ? 0.392 69.3 103.5 -93.5 -1.3 -5.0 16.8 38.9 +8IRA W 25 ILE T . < . . . S + . . . . ? 0.877 94.3 27.3 -56.3 -44.0 -7.2 13.9 37.9 +8IRA W 26 ASN T . 3 . . . S + . . . . ? -0.005 100.9 88.1 -109.6 28.0 -8.4 13.2 41.5 +8IRA W 27 LEU . . < > . . . + . . . . ? -0.737 52.3 177.8 -120.7 79.0 -8.0 16.8 42.9 +8IRA W 28 SER H . . > . . S + . . . . ? 0.819 75.2 53.5 -55.1 -37.7 -11.5 18.2 42.0 +8IRA W 29 GLY H . . > . . S + . . . . ? 0.949 114.5 38.0 -64.8 -54.1 -10.8 21.6 43.6 +8IRA W 30 LYS H . . > . . S + . . . . ? 0.862 116.1 55.0 -62.4 -39.0 -7.5 22.3 41.8 +8IRA W 31 LEU H . . X . . S + . . . . ? 0.895 105.5 51.7 -63.1 -41.4 -9.0 20.8 38.6 +8IRA W 32 LEU H . . X . . S + . . . . ? 0.913 109.4 51.7 -57.7 -45.3 -12.0 23.1 38.9 +8IRA W 33 GLY H . . X . . S + . . . . ? 0.918 106.7 51.9 -56.5 -47.9 -9.5 26.0 39.2 +8IRA W 34 ALA H . . X . . S + . . . . ? 0.891 112.4 46.9 -56.2 -41.8 -7.6 24.9 36.1 +8IRA W 35 HIS H . . X . . S + . . . . ? 0.880 114.2 45.0 -68.9 -40.9 -10.8 24.8 34.1 +8IRA W 36 VAL H . . X . . S + . . . . ? 0.891 113.4 49.7 -73.7 -40.8 -12.1 28.2 35.3 +8IRA W 37 ALA H . . X . . S + . . . . ? 0.874 113.0 48.8 -61.4 -38.9 -8.7 29.9 34.7 +8IRA W 38 HIS H . . X . . S + . . . . ? 0.893 107.0 53.2 -68.7 -43.8 -8.7 28.3 31.3 +8IRA W 39 ALA H . . X . . S + . . . . ? 0.887 105.7 57.6 -55.2 -39.8 -12.2 29.5 30.5 +8IRA W 40 GLY H . . X . . S + . . . . ? 0.887 103.3 51.6 -56.0 -44.1 -10.9 32.9 31.5 +8IRA W 41 LEU H . . X . . S + . . . . ? 0.870 108.7 50.7 -61.3 -40.8 -8.2 32.7 28.8 +8IRA W 42 ILE H . . X . . S + . . . . ? 0.968 115.1 42.2 -59.9 -52.8 -10.7 31.9 26.1 +8IRA W 43 VAL H . . X . . S + . . . . ? 0.851 111.4 57.2 -66.3 -36.9 -12.9 34.8 27.1 +8IRA W 44 PHE H . . X . . S + . . . . ? 0.960 108.3 45.9 -52.5 -57.1 -9.8 37.0 27.5 +8IRA W 45 TRP H . . X . . S + . . . . ? 0.897 109.8 53.5 -56.6 -47.7 -8.7 36.4 23.9 +8IRA W 46 ALA H . . X . . S + . . . . ? 0.900 116.7 39.9 -54.9 -45.3 -12.2 36.9 22.5 +8IRA W 47 GLY H . . X . . S + . . . . ? 0.963 119.3 43.3 -67.2 -55.8 -12.3 40.3 24.2 +8IRA W 48 ALA H . . X . . S + . . . . ? 0.876 114.3 50.9 -60.5 -40.7 -8.7 41.4 23.5 +8IRA W 49 MET H . . X . . S + . . . . ? 0.881 108.0 52.5 -68.7 -38.7 -8.8 40.2 19.9 +8IRA W 50 THR H . . X . . S + . . . . ? 0.900 109.6 48.6 -61.2 -43.4 -12.0 42.1 19.2 +8IRA W 51 LEU H . . X . . S + . . . . ? 0.867 111.8 50.7 -65.9 -37.3 -10.5 45.4 20.5 +8IRA W 52 PHE H . . X . . S + . . . . ? 0.940 111.4 47.5 -61.6 -50.4 -7.4 44.7 18.4 +8IRA W 53 GLU H . . < . . S + . . . . ? 0.942 113.4 47.7 -56.1 -49.0 -9.6 44.2 15.3 +8IRA W 54 LEU H . > < . . S + . . . . ? 0.896 109.1 53.3 -62.0 -43.1 -11.6 47.3 16.0 +8IRA W 55 ALA H . 3 < . . S + . . . . ? 0.832 115.6 41.1 -58.6 -34.5 -8.5 49.4 16.6 +8IRA W 56 HIS T . 3 < . . S + . . . . ? 0.257 92.8 117.1 -96.3 9.4 -7.2 48.2 13.2 +8IRA W 57 PHE . . < . . . . - . . . . ? -0.696 42.1 -171.7 -90.5 125.8 -10.5 48.5 11.5 +8IRA W 58 ILE . . > . . . . - . . . . ? -0.976 16.6 -150.5 -108.1 114.2 -11.0 51.0 8.6 +8IRA W 59 PRO T . 3 . . . S + . . . . ? 0.712 89.3 58.9 -64.3 -20.8 -14.8 50.9 7.8 +8IRA W 60 GLU T . 3 . . . S + . . . . ? 0.657 93.5 76.2 -85.6 -16.0 -14.5 51.7 4.1 +8IRA W 61 LYS S . < . . . S - . . . . ? -0.731 97.4 -100.8 -85.6 143.1 -12.4 48.7 3.3 +8IRA W 62 PRO . . > . . . . - . . . . ? -0.327 30.0 -119.7 -55.2 145.1 -14.1 45.3 3.2 +8IRA W 63 MET G . > . > . S + . . . . ? 0.865 111.6 60.8 -52.1 -40.8 -13.7 43.3 6.4 +8IRA W 64 TYR G . 3 . 5 . S + . . . . ? 0.625 96.9 59.0 -72.6 -12.9 -12.0 40.5 4.5 +8IRA W 65 GLU G . < . 5 . S + . . . . ? 0.452 103.9 54.7 -85.9 -1.8 -9.2 42.8 3.3 +8IRA W 66 GLN T . < . 5 . S - . . . . ? 0.335 110.3 -106.2 -122.9 6.6 -8.2 43.6 6.9 +8IRA W 67 GLY T . . . 5 . . + . . . . ? 0.791 62.9 155.8 77.8 31.4 -7.6 40.2 8.7 +8IRA W 68 LEU . . . . < . . + . . . . ? -0.769 17.3 154.6 -97.7 131.2 -10.8 40.2 10.7 +8IRA W 69 ILE S . . . . . S + . . . . ? 0.528 76.9 44.0 -121.3 -20.8 -12.3 36.9 12.0 +8IRA W 70 LEU S . > > . . S + . . . . ? 0.905 106.1 54.4 -94.0 -48.3 -14.3 38.1 15.0 +8IRA W 71 ILE H . 3 > . . S + . . . . ? 0.867 104.9 58.6 -54.5 -39.1 -16.0 41.3 13.8 +8IRA W 72 PRO H . 3 > . . S + . . . . ? 0.828 104.4 51.5 -55.4 -34.7 -17.5 39.2 10.9 +8IRA W 73 HIS H . < > . . S + . . . . ? 0.902 112.1 44.8 -68.2 -42.6 -19.1 36.9 13.5 +8IRA W 74 ILE H . > < > . S + . . . . ? 0.901 112.1 52.4 -67.0 -43.6 -20.6 39.9 15.4 +8IRA W 75 ALA H . > < 5 . S + . . . . ? 0.865 101.8 59.8 -59.8 -40.2 -21.8 41.5 12.1 +8IRA W 76 THR H . 3 < 5 . S + . . . . ? 0.802 98.3 60.4 -58.0 -31.5 -23.5 38.2 11.0 +8IRA W 77 LEU T . < < 5 . S - . . . . ? 0.389 125.9 -100.8 -80.3 3.0 -25.6 38.5 14.2 +8IRA W 78 GLY T . < . 5 . S + . . . . ? 0.435 78.8 133.2 97.7 1.7 -27.0 41.9 12.9 +8IRA W 79 TRP S . . . < . S - . . . . ? -0.762 72.6 -2.0 -93.4 126.8 -24.9 44.2 15.0 +8IRA W 80 GLY S . . . . . S + . . . . ? 0.376 108.4 96.5 89.7 -0.9 -23.1 47.2 13.5 +8IRA W 81 VAL B . . . . . . + BL EY CP . ? -0.830 42.0 178.3 -128.1 158.3 -24.2 46.7 9.9 +8IRA W 82 GLY . . > . . . . - . . . . ? -0.545 53.8 -12.3 -136.5 -159.6 -26.9 47.8 7.4 +8IRA W 83 PRO G . > . . . S + . . . . ? -0.087 130.8 10.1 -49.3 135.1 -27.9 47.2 3.7 +8IRA W 84 GLY G . 3 . . . S - . . . . ? 0.472 127.0 -74.7 75.2 4.3 -25.2 45.4 1.7 +8IRA W 85 GLY G . < . . . S + . . . . ? 0.631 82.9 161.5 79.4 17.1 -23.2 44.7 4.9 +8IRA W 86 GLU . . < . . . . - . . . . ? -0.467 44.8 -115.3 -69.0 139.5 -22.0 48.2 5.2 +8IRA W 87 VAL B . . . . . . + BL EZ CP . ? -0.695 41.4 166.2 -78.7 122.0 -20.7 49.2 8.7 +8IRA W 88 VAL . . . . . . . + . . . . ? 0.589 68.6 18.0 -105.8 -20.7 -23.0 51.8 10.2 +8IRA W 89 ASP . . . . . . . - . . . . ? -0.833 48.8 -171.1 -162.9 111.3 -21.9 51.7 13.8 +8IRA W 90 THR S . . > . . S + . . . . ? 0.517 71.4 91.5 -81.8 -6.9 -18.7 50.3 15.3 +8IRA W 91 PHE H . . > . . S + . . . . ? 0.887 79.5 56.0 -62.3 -42.9 -20.0 50.7 18.9 +8IRA W 92 PRO H . . > . . S + . . . . ? 0.893 106.7 52.5 -55.3 -37.5 -21.6 47.2 19.2 +8IRA W 93 PHE H . . > . . S + . . . . ? 0.929 108.9 49.7 -62.2 -45.1 -18.2 45.7 18.3 +8IRA W 94 PHE H . . X . . S + . . . . ? 0.916 110.7 49.9 -56.7 -47.6 -16.6 47.8 21.1 +8IRA W 95 VAL H . . X . . S + . . . . ? 0.938 109.0 50.0 -58.8 -52.5 -19.1 46.6 23.6 +8IRA W 96 VAL H . . X . . S + . . . . ? 0.884 113.9 47.7 -55.4 -41.9 -18.8 42.9 22.8 +8IRA W 97 GLY H . . X . . S + . . . . ? 0.953 113.7 44.9 -63.6 -52.9 -15.0 43.2 23.1 +8IRA W 98 VAL H . . X . . S + . . . . ? 0.906 111.5 51.1 -57.9 -48.8 -15.0 45.1 26.4 +8IRA W 99 VAL H . . X . . S + . . . . ? 0.907 112.1 47.9 -63.3 -42.6 -17.6 42.9 28.2 +8IRA W 100 HIS H . . X . . S + . . . . ? 0.939 113.2 47.9 -56.8 -49.5 -15.6 39.8 27.3 +8IRA W 101 LEU H . . X . . S + . . . . ? 0.897 113.3 46.6 -63.5 -42.9 -12.4 41.3 28.5 +8IRA W 102 ILE H . > X . . S + . . . . ? 0.909 110.9 53.0 -63.2 -43.7 -13.9 42.5 31.8 +8IRA W 103 SER H . 3 X . . S + . . . . ? 0.773 97.8 66.0 -64.9 -27.7 -15.6 39.1 32.3 +8IRA W 104 SER H . 3 X . . S + . . . . ? 0.839 95.9 56.6 -62.7 -35.8 -12.2 37.3 31.9 +8IRA W 105 ALA H . < X . . S + . . . . ? 0.873 105.4 50.9 -61.6 -40.9 -10.9 39.0 35.0 +8IRA W 106 VAL H . . X . . S + . . . . ? 0.938 115.5 41.5 -60.7 -49.3 -13.8 37.5 37.0 +8IRA W 107 LEU H . . X . . S + . . . . ? 0.908 113.8 52.3 -66.4 -44.8 -13.1 34.0 35.7 +8IRA W 108 GLY H . . X . . S + . . . . ? 0.902 110.0 50.6 -53.6 -43.2 -9.3 34.5 36.0 +8IRA W 109 PHE H . . X . . S + . . . . ? 0.921 113.5 42.5 -63.4 -49.5 -9.9 35.5 39.7 +8IRA W 110 GLY H . . X . . S + . . . . ? 0.899 113.9 54.5 -62.4 -41.7 -12.0 32.4 40.4 +8IRA W 111 GLY H . . X . . S + . . . . ? 0.935 111.3 42.5 -56.7 -51.0 -9.6 30.2 38.5 +8IRA W 112 VAL H . . X > . S + . . . . ? 0.874 112.8 54.7 -68.2 -38.4 -6.6 31.4 40.5 +8IRA W 113 TYR I . . X > . S + . . . . ? 0.974 114.4 38.4 -56.1 -57.9 -8.5 31.2 43.8 +8IRA W 114 HIS I . . < 5 . S + . . . . ? 0.838 115.8 55.2 -63.2 -33.6 -9.5 27.5 43.2 +8IRA W 115 ALA I . . < 5 . S + . . . . ? 0.808 129.6 5.3 -71.7 -34.1 -6.2 26.6 41.7 +8IRA W 116 ILE I . . < 5 . S + . . . . ? 0.741 136.4 28.7 -116.6 -44.1 -3.9 27.8 44.6 +8IRA W 117 ARG I . . < < . S + . . . . ? 0.824 97.4 77.4 -97.9 -41.4 -6.0 28.9 47.5 +8IRA W 118 GLY S . . . < . S - . . . . ? 0.072 98.6 -57.1 -69.6 -177.7 -9.3 27.1 47.7 +8IRA W 119 PRO . . . . . . . - . . . . ? -0.372 42.7 -142.4 -61.7 139.9 -9.9 23.5 48.9 +8IRA W 120 GLU S . . . . . S + . . . . ? 0.840 88.9 29.6 -75.1 -37.4 -7.8 21.0 46.9 +8IRA W 121 THR . . . . . . . - . . . . ? -0.933 66.4 -158.1 -118.9 149.2 -10.6 18.4 46.9 +8IRA W 122 LEU S . . > . . S + . . . . ? 0.518 74.6 85.2 -102.1 -8.1 -14.3 19.3 47.0 +8IRA W 123 GLU T . . 4 . . S + . . . . ? 0.817 94.2 42.9 -72.4 -32.3 -15.8 16.0 48.3 +8IRA W 124 GLU T . . 4 . . S + . . . . ? 0.815 117.1 48.8 -76.8 -34.6 -15.2 16.9 52.0 +8IRA W 125 TYR T . . 4 . . S + . . . . ? 0.899 126.7 2.9 -71.1 -45.3 -16.5 20.5 51.5 +8IRA W 126 SER . . . X . . . - . . . . ? -0.957 43.5 -154.6 -153.5 128.4 -19.7 19.6 49.6 +8IRA W 127 SER T . . 4 . . S + . . . . ? 0.805 102.2 54.3 -61.1 -34.3 -21.6 16.5 48.5 +8IRA W 128 PHE T . . 4 . . S + . . . . ? 0.976 116.4 30.5 -69.5 -59.2 -23.1 18.7 45.7 +8IRA W 129 PHE T . . 4 . . S + . . . . ? 0.686 106.5 90.0 -77.4 -20.7 -19.9 20.1 44.0 +8IRA W 130 GLY . . . < . . . + . . . . ? -0.418 55.9 172.8 -74.2 153.9 -17.9 17.0 44.9 +8IRA W 131 TYR . . . . . . . - . . . . ? -0.985 30.3 -143.2 -156.9 159.2 -17.7 14.0 42.5 +8IRA W 132 ASP . . > . . . . - . . . . ? -0.998 23.8 -134.8 -125.9 125.2 -16.1 10.7 41.8 +8IRA W 133 TRP T . 3 . . . S + . . . . ? 0.765 107.1 55.8 -45.6 -34.5 -15.4 9.8 38.2 +8IRA W 134 LYS T . 3 . . . S + . . . . ? 0.688 79.9 99.8 -74.2 -21.2 -16.8 6.3 38.8 +8IRA W 135 ASP . . < > . . . - . . . . ? -0.554 53.6 -173.6 -74.1 97.1 -20.1 7.7 40.1 +8IRA W 136 LYS H . . > . . S + . . . . ? 0.840 79.9 52.3 -63.0 -37.2 -22.2 7.3 37.0 +8IRA W 137 ASN H . . > . . S + . . . . ? 0.973 112.2 43.9 -63.1 -55.6 -25.3 9.1 38.4 +8IRA W 138 LYS H . . > . . S + . . . . ? 0.827 111.8 54.7 -58.2 -36.0 -23.3 12.2 39.5 +8IRA W 139 MET H . . X . . S + . . . . ? 0.897 109.5 46.2 -68.4 -40.1 -21.4 12.2 36.1 +8IRA W 140 THR H . . X . . S + . . . . ? 0.759 109.3 56.8 -71.0 -25.9 -24.7 12.2 34.2 +8IRA W 141 THR H . . X . . S + . . . . ? 0.915 108.6 44.6 -69.6 -44.7 -26.1 15.0 36.5 +8IRA W 142 ILE H . . X . . S + . . . . ? 0.903 114.1 50.4 -65.3 -44.5 -23.2 17.3 35.7 +8IRA W 143 LEU H . . X . . S + . . . . ? 0.950 109.6 52.6 -51.8 -51.8 -23.5 16.4 32.0 +8IRA W 144 GLY H . . X . . S + . . . . ? 0.893 106.0 52.1 -53.4 -48.2 -27.3 17.2 32.4 +8IRA W 145 PHE H . . X . . S + . . . . ? 0.914 111.1 47.5 -55.0 -45.8 -26.6 20.7 33.9 +8IRA W 146 HIS H . . X . . S + . . . . ? 0.824 105.8 57.6 -71.4 -33.2 -24.3 21.6 31.0 +8IRA W 147 LEU H . . X . . S + . . . . ? 0.897 106.5 50.4 -58.5 -41.5 -26.8 20.4 28.4 +8IRA W 148 ILE H . . X . . S + . . . . ? 0.922 109.7 50.6 -62.9 -46.0 -29.3 22.8 29.9 +8IRA W 149 VAL H . . X . . S + . . . . ? 0.914 111.8 47.4 -53.5 -47.7 -26.8 25.6 29.7 +8IRA W 150 LEU H . . X . . S + . . . . ? 0.899 109.3 53.7 -64.7 -41.9 -26.1 24.8 26.0 +8IRA W 151 GLY H . . X . . S + . . . . ? 0.902 108.3 49.4 -56.1 -46.6 -29.8 24.6 25.2 +8IRA W 152 ILE H . . X . . S + . . . . ? 0.913 107.3 56.9 -58.7 -43.7 -30.3 28.1 26.6 +8IRA W 153 GLY H . . X . . S + . . . . ? 0.893 106.9 47.6 -53.6 -46.2 -27.3 29.2 24.5 +8IRA W 154 ALA H . > X . . S + . . . . ? 0.887 109.1 53.7 -63.5 -39.9 -29.0 28.0 21.3 +8IRA W 155 LEU H . 3 X . . S + . . . . ? 0.786 98.6 64.6 -68.6 -25.2 -32.3 29.8 22.3 +8IRA W 156 LEU H . 3 X . . S + . . . . ? 0.822 101.2 50.3 -63.0 -33.1 -30.3 33.0 22.8 +8IRA W 157 LEU H . < X . . S + . . . . ? 0.874 109.8 50.0 -70.7 -39.2 -29.6 32.9 19.0 +8IRA W 158 VAL H . . X . . S + . . . . ? 0.922 109.9 51.5 -61.1 -46.5 -33.3 32.4 18.3 +8IRA W 159 ALA H . . X > . S + . . . . ? 0.909 109.5 48.8 -58.3 -47.7 -34.1 35.3 20.6 +8IRA W 160 LYS H . . X 5 . S + . . . . ? 0.916 115.9 45.1 -54.9 -46.3 -31.6 37.6 18.8 +8IRA W 161 ALA H . . < 5 . S + . . . . ? 0.832 125.4 28.3 -69.4 -36.8 -33.1 36.5 15.4 +8IRA W 162 MET H . . < 5 . S + . . . . ? 0.846 136.0 15.1 -96.8 -37.2 -36.8 36.8 16.4 +8IRA W 163 PHE H . . < 5 . S + . . . . ? 0.562 115.6 55.7 -121.8 -15.7 -37.0 39.5 19.0 +8IRA W 164 PHE S . . < < . S - . . . . ? -0.384 123.8 -60.1 -127.5 57.8 -33.8 41.6 19.2 +8IRA W 165 GLY S . . . . . S - . . . . ? -0.029 76.5 -117.7 103.8 -30.0 -33.1 43.0 15.8 +8IRA W 166 GLY . . . . . . . - . . . . ? -0.574 36.6 -65.6 97.2 -159.3 -32.7 39.8 13.7 +8IRA W 167 LEU E . . . . . . - BM FA CQ . ? -0.894 48.6 -92.1 -130.7 157.3 -29.8 38.5 11.8 +8IRA W 168 TYR E . . . . . . - BM FA CQ . ? -0.603 40.8 -161.8 -70.5 125.3 -27.8 39.6 8.7 +8IRA W 169 ASP E . > . . . . - BM FA CQ . ? -0.917 15.9 -172.4 -115.9 106.1 -29.4 38.0 5.7 +8IRA W 170 THR T . 3 . . . S + . . . . ? 0.747 89.1 57.3 -65.4 -24.2 -27.1 37.9 2.6 +8IRA W 171 TRP T . 3 . . . S + . . . . ? 0.414 78.2 130.7 -85.8 1.9 -30.1 36.6 0.6 +8IRA W 172 ALA S . X > . . S - . . . . ? -0.268 70.7 -112.6 -63.2 144.1 -32.3 39.6 1.5 +8IRA W 173 PRO T . 3 4 . . S + . . . . ? 0.639 109.3 60.0 -53.6 -23.2 -34.1 41.2 -1.5 +8IRA W 174 GLY T . 3 4 . . S - . . . . ? 0.038 131.9 -77.9 -97.8 26.4 -32.2 44.5 -1.3 +8IRA W 175 GLY T . < 4 . . S - . . . . ? 0.546 100.3 -37.8 90.8 10.2 -28.6 43.1 -1.8 +8IRA W 176 GLY S . . < . . S + . . . . ? 0.187 75.2 161.5 107.0 132.6 -28.4 41.9 1.8 +8IRA W 177 ASP E . . . . . . - BM FB CQ . ? -0.969 46.3 -75.3 -165.9 170.3 -29.6 43.4 5.0 +8IRA W 178 VAL E . . . . . . - BM FB CQ . ? -0.691 54.7 -178.1 -78.9 134.1 -30.5 42.8 8.6 +8IRA W 179 ARG E . . . . . . - BM FB CQ . ? -0.999 27.9 -127.4 -142.6 135.3 -33.9 41.0 8.8 +8IRA W 180 VAL . . . . . . . - . . . . ? -0.648 24.7 -135.0 -80.0 137.4 -36.1 39.8 11.6 +8IRA W 181 ILE . . . . . . . + . . . . ? -0.875 32.6 167.0 -96.7 104.3 -37.0 36.1 11.2 +8IRA W 182 THR S . . . . . S + . . . . ? 0.813 70.6 40.5 -88.0 -31.3 -40.8 35.9 11.9 +8IRA W 183 ASN S . . . . . S - . . . . ? -0.706 72.2 -173.7 -124.5 80.4 -41.4 32.3 10.6 +8IRA W 184 PRO . . . . . . . - . . . . ? -0.440 38.8 -98.0 -71.2 145.1 -38.6 29.9 11.6 +8IRA W 185 THR . . . . . . . + . . . . ? -0.508 48.6 164.2 -69.3 117.5 -38.8 26.4 10.1 +8IRA W 186 LEU . . . . . . . + . . . . ? 0.605 36.0 114.2 -106.4 -16.5 -40.4 24.0 12.6 +8IRA W 187 ASP . . > > . . . - . . . . ? -0.390 58.3 -149.4 -63.4 117.1 -41.2 21.1 10.3 +8IRA W 188 PRO H . 3 > . . S + . . . . ? 0.744 92.1 65.7 -64.5 -23.6 -39.0 18.1 11.4 +8IRA W 189 ARG H . 3 4 . . S + . . . . ? 0.771 109.5 38.8 -68.3 -26.6 -38.8 16.7 7.9 +8IRA W 190 VAL H . < > . . S + . . . . ? 0.898 120.2 44.8 -84.1 -49.4 -36.9 19.8 6.8 +8IRA W 191 ILE H . > < . . S + . . . . ? 0.956 124.0 32.6 -61.6 -56.7 -34.8 20.1 10.0 +8IRA W 192 PHE T . 3 X . . S + . . . . ? 0.685 107.1 73.0 -77.0 -15.7 -33.8 16.5 10.4 +8IRA W 193 GLY T . 3 4 . . S + . . . . ? 0.820 90.4 59.4 -62.8 -33.6 -33.8 16.1 6.6 +8IRA W 194 TYR T . X < . . S + . . . . ? 0.845 101.2 55.7 -58.8 -37.4 -30.6 18.1 6.5 +8IRA W 195 LEU T . 3 4 . . S + . . . . ? 0.729 108.3 46.0 -69.8 -27.7 -29.0 15.4 8.8 +8IRA W 196 LEU T . 3 < . . S + . . . . ? 0.313 88.1 110.7 -99.6 4.2 -29.8 12.5 6.4 +8IRA W 197 LYS S . < . . . S - . . . . ? -0.537 78.8 -96.8 -81.5 146.6 -28.6 14.3 3.3 +8IRA W 198 SER . . . . . . . - . . . . ? -0.303 20.9 -138.9 -58.7 142.6 -25.4 13.0 1.5 +8IRA W 199 PRO S . . . . . S + . . . . ? 0.359 72.9 96.0 -83.2 6.2 -22.2 14.9 2.3 +8IRA W 200 PHE S . > > . . S - . . . . ? -0.257 87.4 -47.5 -93.2 179.6 -21.0 14.8 -1.3 +8IRA W 201 GLY T . 3 4 . . S + . . . . ? -0.068 122.7 14.3 -50.5 139.9 -21.3 17.3 -4.2 +8IRA W 202 GLY T . 3 4 . . S + . . . . ? 0.398 130.2 51.6 76.2 -1.1 -24.6 19.0 -4.8 +8IRA W 203 GLU T . < 4 . . . - . . . . ? 0.574 68.5 -178.9 -125.2 -70.4 -26.0 17.9 -1.4 +8IRA W 204 GLY . . > < . . . - . . . . ? 0.552 35.5 -122.2 84.1 10.3 -23.4 18.9 1.2 +8IRA W 205 TRP G . > . . . S - . . . . ? -0.239 81.5 -18.2 54.7 -135.0 -25.1 17.5 4.4 +8IRA W 206 ILE G . > . . . S + . . . . ? 0.671 128.3 76.2 -75.6 -17.7 -25.8 20.3 6.9 +8IRA W 207 VAL G . < . . . S + . . . . ? 0.726 83.5 70.2 -64.7 -20.2 -23.2 22.6 5.2 +8IRA W 208 SER G . < . . . . + . . . . ? 0.479 62.6 130.7 -76.4 -3.1 -25.9 23.2 2.6 +8IRA W 209 VAL . . < . . . . + . . . . ? -0.352 29.1 174.0 -58.6 123.9 -28.2 25.2 4.8 +8IRA W 210 ASN . . . . . . . + . . . . ? 0.094 47.7 50.9 -128.4 18.8 -29.0 28.3 2.7 +8IRA W 211 ASN . . . > . . . - . . . . ? -0.985 69.8 -126.8 -159.0 153.9 -31.6 30.4 4.6 +8IRA W 212 LEU H . . > . . S + . . . . ? 0.757 103.3 65.6 -79.9 -26.0 -32.0 31.8 8.1 +8IRA W 213 GLU H . . > . . S + . . . . ? 0.905 107.2 43.6 -60.0 -42.4 -35.5 30.4 8.7 +8IRA W 214 ASP H . . > . . S + . . . . ? 0.863 114.3 51.0 -68.7 -38.8 -33.9 26.9 8.6 +8IRA W 215 VAL H . . X . . S + . . . . ? 0.975 114.8 41.3 -59.6 -56.9 -31.0 28.1 10.8 +8IRA W 216 VAL H . . X . . S + . . . . ? 0.901 115.6 51.0 -60.8 -43.3 -33.3 29.7 13.4 +8IRA W 217 GLY H . . X . . S + . . . . ? 0.870 105.8 56.3 -61.0 -39.0 -35.6 26.7 13.3 +8IRA W 218 GLY H . . X . . S + . . . . ? 0.820 106.4 50.2 -60.6 -34.5 -32.7 24.3 13.7 +8IRA W 219 HIS H . . X . . S + . . . . ? 0.777 103.9 57.4 -79.6 -27.5 -31.7 26.1 16.9 +8IRA W 220 ILE H . . X . . S + . . . . ? 0.963 112.0 43.6 -60.1 -49.0 -35.3 25.9 18.4 +8IRA W 221 TRP H . . X . . S + . . . . ? 0.933 115.0 46.9 -62.5 -49.6 -35.0 22.1 17.9 +8IRA W 222 ILE H . . X . . S + . . . . ? 0.874 110.9 54.3 -60.1 -42.4 -31.5 21.9 19.3 +8IRA W 223 GLY H . . X . . S + . . . . ? 0.919 112.5 41.4 -55.5 -49.6 -32.4 24.1 22.2 +8IRA W 224 LEU H . . X . . S + . . . . ? 0.907 114.0 52.0 -68.1 -42.5 -35.4 21.9 23.3 +8IRA W 225 ILE H . . X . . S + . . . . ? 0.898 111.3 48.4 -62.1 -39.5 -33.5 18.6 22.7 +8IRA W 226 CYS H . . X . . S + . . . . ? 0.910 113.2 45.2 -66.5 -46.2 -30.6 19.9 24.9 +8IRA W 227 ILE H . . X . . S + . . . . ? 0.935 116.3 48.1 -61.6 -44.6 -32.9 21.0 27.8 +8IRA W 228 ALA H . . X . . S + . . . . ? 0.936 112.6 46.9 -61.4 -50.4 -34.8 17.8 27.5 +8IRA W 229 GLY H . . X . . S + . . . . ? 0.873 110.6 55.2 -57.2 -39.4 -31.7 15.6 27.4 +8IRA W 230 GLY H . . X . . S + . . . . ? 0.899 109.2 44.8 -59.2 -48.8 -30.4 17.7 30.4 +8IRA W 231 ILE H . > X . . S + . . . . ? 0.962 112.8 53.6 -57.3 -55.8 -33.5 16.9 32.5 +8IRA W 232 TRP H . 3 X . . S + . . . . ? 0.869 109.1 46.9 -44.6 -51.1 -33.3 13.2 31.4 +8IRA W 233 HIS H . 3 < . . S + . . . . ? 0.752 110.8 51.4 -74.5 -25.0 -29.6 12.9 32.5 +8IRA W 234 ILE H . < < . . S + . . . . ? 0.960 116.4 40.8 -66.2 -52.0 -30.2 14.5 35.9 +8IRA W 235 LEU H . . < . . S + . . . . ? 0.658 115.6 55.6 -75.3 -18.7 -33.1 12.2 36.7 +8IRA W 236 THR . . . < . . . - . . . . ? -0.585 63.3 -143.5 -113.5 172.3 -31.6 9.0 35.3 +8IRA W 237 THR . . . . . . . - . . . . ? -0.955 46.3 -80.9 -127.4 150.5 -28.6 6.8 35.6 +8IRA W 238 PRO . . . . . . . - . . . . ? -0.234 48.7 -120.8 -55.6 136.6 -26.9 4.9 32.7 +8IRA W 239 PHE . . > > . . . - . . . . ? -0.276 28.0 -100.2 -72.9 164.3 -28.6 1.6 31.7 +8IRA W 240 GLY H . 3 > . . S + . . . . ? 0.839 120.0 56.4 -56.0 -42.4 -26.9 -1.7 31.8 +8IRA W 241 TRP H . 3 4 . . S + . . . . ? 0.823 112.8 42.7 -61.8 -33.8 -26.1 -1.9 28.0 +8IRA W 242 ALA H . X > . . S + . . . . ? 0.875 109.6 57.4 -76.0 -43.1 -24.3 1.5 28.3 +8IRA W 243 ARG H . 3 < . . S + . . . . ? 0.895 110.7 43.9 -54.3 -41.8 -22.6 0.4 31.6 +8IRA W 244 ARG T . 3 < . . S + . . . . ? 0.660 112.2 54.3 -76.6 -17.4 -21.1 -2.6 29.8 +8IRA W 245 ALA T . < 4 . . S + . . . . ? 0.688 101.9 56.5 -94.0 -22.3 -20.1 -0.6 26.6 +8IRA W 246 PHE S . . < . . S - . . . . ? -0.693 73.6 -120.1 -115.2 159.6 -18.0 2.2 28.1 +8IRA W 247 ILE . . . . . . . - . . . . ? -0.874 27.2 -147.6 -90.5 133.3 -14.9 2.9 30.2 +8IRA W 248 TRP . . . . . . . + . . . . ? -0.784 51.3 105.4 -110.6 87.9 -15.9 4.9 33.3 +8IRA W 249 SER S . . > . . S - . . . . ? -0.978 77.4 -105.8 -157.2 158.5 -12.9 7.1 34.2 +8IRA W 250 GLY H . . > . . S + . . . . ? 0.903 120.8 46.8 -52.8 -47.8 -11.8 10.7 34.0 +8IRA W 251 GLU H . . > . . S + . . . . ? 0.867 110.4 53.0 -66.9 -37.6 -9.4 10.0 31.1 +8IRA W 252 ALA H . . > . . S + . . . . ? 0.925 108.4 49.9 -62.0 -44.0 -12.0 8.0 29.2 +8IRA W 253 TYR H . . X . . S + . . . . ? 0.897 110.1 50.9 -63.7 -41.7 -14.5 10.9 29.5 +8IRA W 254 LEU H . . X . . S + . . . . ? 0.905 108.3 53.0 -58.9 -41.5 -11.8 13.3 28.2 +8IRA W 255 SER H . . X . . S + . . . . ? 0.917 106.0 52.2 -63.8 -42.7 -11.2 10.9 25.3 +8IRA W 256 TYR H . . X . . S + . . . . ? 0.895 111.9 46.2 -58.9 -44.2 -14.9 10.9 24.3 +8IRA W 257 SER H . . X . . S + . . . . ? 0.823 107.2 57.1 -69.8 -32.0 -15.0 14.7 24.2 +8IRA W 258 LEU H . . X . . S + . . . . ? 0.881 108.2 48.8 -65.3 -37.6 -11.7 14.9 22.3 +8IRA W 259 GLY H . . X . . S + . . . . ? 0.908 111.8 48.8 -63.7 -43.8 -13.4 12.8 19.6 +8IRA W 260 ALA H . . X . . S + . . . . ? 0.950 112.1 47.5 -61.8 -50.5 -16.5 15.0 19.6 +8IRA W 261 LEU H . . X . . S + . . . . ? 0.863 110.0 53.5 -62.0 -36.9 -14.4 18.2 19.3 +8IRA W 262 SER H . . X . . S + . . . . ? 0.961 109.6 47.4 -58.8 -52.7 -12.3 16.7 16.5 +8IRA W 263 MET H . . X . . S + . . . . ? 0.908 113.5 48.5 -55.8 -45.7 -15.5 15.8 14.5 +8IRA W 264 MET H . . X . . S + . . . . ? 0.899 106.9 56.2 -61.6 -42.2 -16.9 19.3 15.1 +8IRA W 265 GLY H . . X . . S + . . . . ? 0.887 107.9 48.7 -57.4 -40.9 -13.6 21.0 14.1 +8IRA W 266 PHE H . . X . . S + . . . . ? 0.871 110.6 49.8 -66.2 -41.5 -13.8 19.2 10.7 +8IRA W 267 ILE H . . X . . S + . . . . ? 0.930 109.1 52.6 -62.4 -46.4 -17.4 20.2 10.1 +8IRA W 268 ALA H . . X . . S + . . . . ? 0.860 105.3 56.0 -55.6 -39.4 -16.5 23.8 10.9 +8IRA W 269 THR H . . X . . S + . . . . ? 0.905 111.8 41.8 -59.5 -46.1 -13.7 23.7 8.4 +8IRA W 270 CYS H . . X . . S + . . . . ? 0.865 111.6 57.0 -68.4 -38.5 -16.2 22.6 5.6 +8IRA W 271 PHE H . . X . . S + . . . . ? 0.942 109.6 42.9 -57.6 -52.0 -18.8 25.1 6.8 +8IRA W 272 VAL H . . < . . S + . . . . ? 0.741 116.5 49.9 -69.4 -24.1 -16.5 28.2 6.5 +8IRA W 273 TRP H . . < . . S + . . . . ? 0.808 126.6 17.9 -83.8 -32.7 -15.2 26.9 3.1 +8IRA W 274 PHE H . . < . . S + . . . . ? 0.721 103.2 84.0 -110.9 -33.4 -18.5 26.2 1.4 +8IRA W 275 ASN . . . < . . . + . . . . ? -0.649 37.7 172.3 -86.8 132.3 -21.3 28.0 3.2 +8IRA W 276 ASN . . . . > . . + . . . . ? 0.121 69.3 68.8 -121.9 19.0 -22.0 31.6 2.3 +8IRA W 277 THR T . . . 5 . S + . . . . ? 0.850 112.4 24.2 -98.2 -58.7 -25.2 32.1 4.3 +8IRA W 278 VAL T . . . 5 . S + . . . . ? 0.525 132.6 45.8 -88.1 -9.5 -24.0 31.9 8.0 +8IRA W 279 TYR T . . . 5 . S - . . . . ? -0.773 94.3 -153.5 -120.0 83.3 -20.6 33.0 6.8 +8IRA W 280 PRO T . > > 5 . . - . . . . ? -0.333 14.3 -138.1 -61.2 137.4 -21.6 35.9 4.5 +8IRA W 281 SER H . 3 > < . S + . . . . ? 0.751 101.4 70.0 -68.3 -24.2 -19.2 36.6 1.6 +8IRA W 282 GLU H . 3 4 . . S + . . . . ? 0.787 115.7 24.2 -55.9 -33.2 -19.7 40.3 2.3 +8IRA W 283 PHE H . < 4 . . S + . . . . ? 0.786 134.4 32.6 -102.3 -41.3 -17.8 39.8 5.6 +8IRA W 284 TYR H . . < . . S - . . . . ? 0.497 107.6 -117.7 -96.7 -6.8 -15.6 36.7 5.0 +8IRA W 285 GLY . . . < . . . - . . . . ? -0.112 50.8 -41.1 84.8 171.3 -14.9 37.2 1.3 +8IRA W 286 PRO . . . . . . . - . . . . ? -0.323 59.6 -115.5 -69.4 151.5 -16.0 34.8 -1.5 +8IRA W 287 THR . . . > . . . - . . . . ? -0.159 33.0 -103.7 -66.3 173.1 -15.8 31.0 -1.2 +8IRA W 288 GLY H . . > . . S + . . . . ? 0.958 125.5 46.1 -64.1 -54.1 -13.4 29.1 -3.5 +8IRA W 289 PRO H . . > . . S + . . . . ? 0.894 113.0 52.1 -50.3 -42.4 -16.4 28.0 -5.6 +8IRA W 290 GLU H . . > . . S + . . . . ? 0.942 110.0 45.8 -62.5 -50.4 -17.8 31.5 -5.6 +8IRA W 291 ALA H . . X . . S + . . . . ? 0.870 113.2 51.0 -62.2 -40.5 -14.5 33.2 -6.8 +8IRA W 292 SER H . . X . . S + . . . . ? 0.950 112.5 45.1 -59.4 -51.7 -14.1 30.5 -9.5 +8IRA W 293 GLN H . . X . . S + . . . . ? 0.868 107.6 60.1 -60.9 -39.6 -17.6 31.0 -10.8 +8IRA W 294 ALA H . . X . . S + . . . . ? 0.835 100.4 54.9 -57.5 -37.2 -17.2 34.8 -10.6 +8IRA W 295 GLN H . . X . . S + . . . . ? 0.937 107.3 49.0 -62.8 -47.6 -14.3 34.7 -13.1 +8IRA W 296 ALA H . . X . . S + . . . . ? 0.895 113.6 47.7 -57.2 -40.8 -16.4 32.8 -15.6 +8IRA W 297 MET H . . X . . S + . . . . ? 0.891 108.2 55.6 -65.9 -42.8 -19.1 35.5 -15.1 +8IRA W 298 THR H . . X . . S + . . . . ? 0.831 113.3 39.3 -61.0 -37.7 -16.6 38.3 -15.4 +8IRA W 299 PHE H . . X . . S + . . . . ? 0.747 110.5 58.6 -88.7 -23.8 -15.4 37.2 -18.9 +8IRA W 300 LEU H . . X . . S + . . . . ? 0.953 111.4 43.9 -60.8 -48.9 -18.8 36.2 -20.1 +8IRA W 301 ILE H . . X . . S + . . . . ? 0.913 114.1 48.8 -63.5 -46.8 -19.8 39.8 -19.4 +8IRA W 302 ARG H . . X . . S + . . . . ? 0.943 116.3 42.1 -56.9 -49.9 -16.7 41.4 -21.0 +8IRA W 303 ASP H . . < > . S + . . . . ? 0.853 111.0 54.6 -74.5 -34.3 -16.9 39.3 -24.1 +8IRA W 304 GLN H . > < 5 . S + . . . . ? 0.889 105.7 54.0 -63.9 -41.0 -20.7 39.6 -24.6 +8IRA W 305 LYS H . 3 < 5 . S + . . . . ? 0.782 104.7 55.1 -59.9 -31.9 -20.3 43.4 -24.4 +8IRA W 306 LEU T . 3 < 5 . S - . . . . ? 0.516 132.0 -93.3 -79.3 -7.4 -17.7 43.1 -27.3 +8IRA W 307 GLY T . < . 5 . S + . . . . ? 0.492 74.0 146.4 112.0 8.2 -20.3 41.3 -29.3 +8IRA W 308 ALA . . . . < . . - . . . . ? -0.534 48.2 -134.9 -74.2 139.7 -19.7 37.6 -28.7 +8IRA W 309 ASN . . > > . . . - . . . . ? -0.858 23.8 -170.9 -87.4 99.4 -22.7 35.2 -28.6 +8IRA W 310 VAL T . 3 4 . . S + . . . . ? 0.750 75.6 61.5 -69.8 -25.4 -21.7 33.4 -25.5 +8IRA W 311 GLY T . 3 4 . . S + . . . . ? 0.835 113.5 33.5 -68.7 -34.9 -24.3 30.7 -25.8 +8IRA W 312 SER T . < 4 . . S + . . . . ? 0.322 84.6 121.6 -105.9 4.4 -23.0 29.3 -29.1 +8IRA W 313 ALA . . . < . . . - . . . . ? -0.623 52.3 -150.9 -76.2 108.2 -19.3 30.0 -28.6 +8IRA W 314 GLN B . . . . . . - BN FC CR . ? -0.664 11.9 -141.6 -77.4 130.6 -17.5 26.6 -28.9 +8IRA W 315 GLY . . > . . . . - . . . . ? -0.320 31.4 -89.9 -86.6 172.7 -14.3 26.3 -26.9 +8IRA W 316 PRO T . 3 . . . S + . . . . ? 0.801 126.7 48.0 -52.0 -35.5 -11.1 24.6 -27.9 +8IRA W 317 THR T . 3 . . . S - . . . . ? 0.680 120.2 -105.4 -79.6 -20.0 -12.1 21.2 -26.4 +8IRA W 318 GLY S . < . . . S + . . . . ? -0.055 89.9 111.1 112.0 -30.4 -15.6 21.3 -28.1 +8IRA W 319 LEU S . . . . . S - . . . . ? -0.368 88.3 -76.5 -64.1 152.4 -17.4 22.2 -24.8 +8IRA W 320 GLY B . . . . . . - BN FD CR . ? -0.264 35.2 -141.9 -48.6 135.7 -18.9 25.6 -24.6 +8IRA W 321 LYS S . . . . . S + . . . . ? 0.905 98.4 9.9 -65.3 -45.9 -16.2 28.3 -23.9 +8IRA W 322 TYR S . . . . . S + . . . . ? 0.782 135.2 30.0 -102.7 -42.9 -18.5 30.2 -21.6 +8IRA W 323 LEU E . . . . . . + BO FE CS . ? -0.982 60.9 151.6 -129.8 138.3 -21.5 27.9 -21.0 +8IRA W 324 MET E . . . . . . - BO FE CS . ? -0.781 40.9 -91.0 -142.8 -174.6 -22.0 24.1 -21.0 +8IRA W 325 ARG E . . . . . . - BO FE CS . ? -0.786 29.2 -129.2 -102.3 152.8 -24.2 21.5 -19.4 +8IRA W 326 SER . . > . . . . - . . . . ? -0.390 43.5 -90.4 -82.2 171.6 -23.6 19.6 -16.1 +8IRA W 327 PRO T . 3 . . . S + . . . . ? 0.644 132.7 46.9 -62.9 -12.9 -23.9 15.7 -16.1 +8IRA W 328 THR T . 3 . . . S - . . . . ? 0.279 125.3 -102.9 -108.7 7.3 -27.6 16.1 -15.3 +8IRA W 329 GLY . . < . . . . + . . . . ? 0.291 68.5 144.7 101.6 -7.5 -28.1 18.7 -18.0 +8IRA W 330 GLU . . . . . . . - . . . . ? -0.379 57.0 -110.1 -64.5 142.0 -28.3 22.1 -16.2 +8IRA W 331 ILE E . . . . . . + BO FF CS CT ? -0.632 53.2 164.3 -74.6 123.0 -26.7 25.0 -18.0 +8IRA W 332 ILE E . . . . . . - BO FF CS . ? -0.859 42.2 -77.6 -136.0 167.0 -23.6 26.0 -16.1 +8IRA W 333 PHE E . . . . . . - BO FF CS . ? -0.432 50.0 -133.2 -66.6 142.9 -20.4 28.1 -16.6 +8IRA W 334 GLY . . . . . . . + . . . . ? -0.201 61.1 53.6 -93.7 -176.3 -17.7 26.4 -18.7 +8IRA W 335 GLY S . > . . . S - . . . . ? -0.459 116.1 -35.8 82.4 -164.6 -13.9 26.0 -18.2 +8IRA W 336 GLU G . > . . . S + . . . . ? 0.778 127.1 77.8 -61.6 -28.6 -12.4 24.4 -15.1 +8IRA W 337 THR G . > . . . . + . . . . ? 0.566 63.7 97.6 -62.4 -5.3 -15.2 26.0 -13.0 +8IRA W 338 MET G . X . . . S + . . . . ? 0.792 75.5 62.7 -49.2 -30.3 -17.5 23.2 -14.3 +8IRA W 339 ARG G . < . . . S + . . . . ? 0.660 98.9 54.7 -68.7 -19.5 -16.7 21.5 -11.0 +8IRA W 340 PHE G . X . . . . + . . . . ? -0.037 65.5 118.7 -107.0 29.3 -18.3 24.3 -9.0 +8IRA W 341 TRP T . < . . . . + . . . . ? 0.673 66.0 69.5 -72.4 -16.2 -21.7 24.3 -10.6 +8IRA W 342 ASP T . 3 . . . S + . . . . ? 0.515 74.4 118.9 -71.9 -9.5 -23.3 23.5 -7.3 +8IRA W 343 PHE . . < . . . . - . . . . ? -0.374 43.0 -174.6 -61.5 135.5 -22.4 27.0 -6.2 +8IRA W 344 ARG . . . . . . . + . . . . ? -0.996 12.1 156.0 -133.3 129.2 -25.4 29.2 -5.2 +8IRA W 345 GLY . . > > . . . - . . . . ? -0.993 50.4 -110.0 -152.4 155.7 -25.1 32.9 -4.3 +8IRA W 346 PRO T . 3 4 . . S + . . . . ? 0.781 114.4 53.5 -58.6 -32.9 -27.2 36.1 -4.3 +8IRA W 347 TRP T . 3 4 . . S + . . . . ? 0.584 116.5 38.0 -77.0 -14.0 -25.4 37.8 -7.1 +8IRA W 348 LEU T . X 4 . . S + . . . . ? 0.751 95.2 77.0 -105.3 -33.3 -25.8 34.8 -9.5 +8IRA W 349 GLU G . > < . . S + . . . . ? 0.797 81.8 67.8 -57.5 -36.3 -29.3 33.4 -8.8 +8IRA W 350 PRO G . 3 . . . S + . . . . ? 0.742 100.5 52.4 -54.6 -22.8 -31.2 36.1 -10.8 +8IRA W 351 LEU G . < . . . S + . . . . ? 0.486 91.9 99.7 -88.9 -5.9 -29.7 34.7 -14.0 +8IRA W 352 ARG E . < . . . . + BO FG CU . ? -0.610 46.8 173.3 -86.8 139.2 -30.8 31.2 -13.1 +8IRA W 353 GLY E . > . . . . - BO FG CU . ? -0.674 53.7 -71.6 -126.8 -172.4 -34.0 29.6 -14.6 +8IRA W 354 PRO T . 3 . . . S + . . . . ? 0.838 133.1 42.1 -52.9 -36.9 -35.6 26.1 -14.6 +8IRA W 355 ASN T . 3 . . . S - . . . . ? 0.245 123.5 -97.1 -93.9 12.7 -32.8 24.6 -16.7 +8IRA W 356 GLY E . < . . . S + BO FH CT CU ? -0.838 92.9 19.9 104.2 -150.4 -29.9 26.4 -15.1 +8IRA W 357 LEU E . . . . . S - BO FH . CU ? -0.336 79.5 -134.1 -58.9 133.6 -28.3 29.6 -16.4 +8IRA W 358 ASP . . . > . . . - . . . . ? -0.833 7.8 -153.9 -100.4 123.1 -30.8 31.3 -18.7 +8IRA W 359 LEU H . . > . . S + . . . . ? 0.846 96.1 51.8 -65.1 -36.8 -29.4 32.6 -22.0 +8IRA W 360 ASN H . . > . . S + . . . . ? 0.907 110.2 47.7 -64.5 -44.8 -32.1 35.3 -22.3 +8IRA W 361 LYS H . . > . . S + . . . . ? 0.855 111.6 52.0 -65.4 -34.7 -31.4 36.6 -18.8 +8IRA W 362 ILE H . . < . . S + . . . . ? 0.949 112.1 45.6 -63.2 -48.2 -27.7 36.6 -19.6 +8IRA W 363 LYS H . . < . . S + . . . . ? 0.761 132.1 14.2 -65.1 -28.1 -28.2 38.6 -22.8 +8IRA W 364 ASN H . . < . . S + . . . . ? 0.739 119.7 48.6 -120.4 -30.3 -30.6 41.2 -21.3 +8IRA W 365 ASP . . . < . . . + . . . . ? 0.237 60.7 125.1 -117.0 9.9 -30.7 41.3 -17.4 +8IRA W 366 ILE . . . . . . . - . . . . ? -0.629 48.9 -152.0 -71.5 116.9 -27.2 41.4 -16.0 +8IRA W 367 GLN . . > > . . . - . . . . ? -0.516 23.2 -112.6 -87.3 157.1 -27.2 44.5 -13.8 +8IRA W 368 PRO H . 3 > . . S + . . . . ? 0.830 114.6 62.4 -57.4 -32.5 -24.0 46.6 -13.1 +8IRA W 369 TRP H . 3 > . . S + . . . . ? 0.809 102.7 50.7 -66.6 -28.3 -24.0 45.5 -9.4 +8IRA W 370 GLN H . < > . . S + . . . . ? 0.859 109.4 49.7 -73.3 -40.5 -23.6 41.9 -10.5 +8IRA W 371 GLU H . . X . . S + . . . . ? 0.914 111.6 49.8 -62.1 -44.3 -20.6 42.8 -12.7 +8IRA W 372 ARG H . . X . . S + . . . . ? 0.947 113.4 46.4 -56.6 -49.1 -19.1 44.7 -9.7 +8IRA W 373 ARG H . . X . . S + . . . . ? 0.871 110.2 51.3 -64.0 -42.9 -19.6 41.7 -7.5 +8IRA W 374 ALA H . . X . . S + . . . . ? 0.896 113.8 46.6 -59.5 -38.7 -18.2 39.2 -9.9 +8IRA W 375 ALA H . . X . . S + . . . . ? 0.899 113.5 46.5 -74.1 -43.4 -15.1 41.4 -10.3 +8IRA W 376 GLU H . . < . . S + . . . . ? 0.963 117.1 43.7 -58.3 -52.7 -14.6 41.9 -6.6 +8IRA W 377 TYR H . > < . . S + . . . . ? 0.809 111.4 53.6 -70.8 -31.7 -15.1 38.3 -5.7 +8IRA W 378 MET H . > < . . S + . . . . ? 0.857 112.3 45.6 -64.9 -37.3 -12.9 37.1 -8.6 +8IRA W 379 THR T . 3 < . . S + . . . . ? 0.360 112.2 50.9 -91.1 2.7 -10.1 39.3 -7.4 +8IRA W 380 HIS T . < . . . S + . . . . ? -0.143 78.0 156.6 -126.4 37.0 -10.4 38.3 -3.8 +8IRA W 381 ALA . . < . . . . - . . . . ? -0.260 59.0 -100.2 -61.4 146.6 -10.3 34.6 -4.4 +8IRA W 382 PRO S . . . . . S + . . . . ? -0.418 85.6 113.2 -74.6 71.9 -9.2 32.5 -1.3 +8IRA W 383 LEU . . . . . . . + . . . . ? -0.987 33.4 122.8 -138.7 136.6 -5.6 32.0 -2.6 +8IRA W 384 GLY E . . . . . . - AW DR BW BX ? -0.942 51.9 -89.3 179.1 166.3 -2.5 33.5 -0.9 +8IRA W 385 SER E . > . . . . - AW DR BW . ? -0.468 39.0 -109.3 -88.7 161.2 0.9 32.8 0.7 +8IRA W 386 LEU T . 3 . . . S + . . . . ? 0.810 123.4 53.8 -58.7 -31.3 1.7 32.2 4.3 +8IRA W 387 ASN T . 3 . . . S - . . . . ? 0.253 127.2 -103.7 -86.8 13.0 3.3 35.6 4.5 +8IRA W 388 SER . . < . . . . + . . . . ? 0.866 65.6 153.7 67.6 45.0 0.0 37.0 3.1 +8IRA W 389 VAL B . . . . . . - BP FI CV . ? -0.935 43.0 -132.3 -96.8 113.1 0.9 37.7 -0.5 +8IRA W 390 GLY B . . . . . . + AW DS BX . ? -0.453 59.9 32.5 -78.0 136.4 -2.5 37.5 -2.2 +8IRA W 391 GLY S . . . . . S - . . . . ? -0.780 97.8 -19.1 126.8 -165.3 -3.0 35.5 -5.4 +8IRA W 392 VAL S . > . . . S - . . . . ? -0.291 71.3 -100.1 -71.9 163.8 -1.7 32.3 -7.0 +8IRA W 393 ALA T . 3 . . . S + . . . . ? 0.760 122.3 53.4 -58.3 -28.7 1.7 31.0 -5.9 +8IRA W 394 THR T . 3 . . . S + . . . . ? 0.364 84.6 115.0 -89.2 3.8 3.4 32.5 -8.9 +8IRA W 395 GLU P . < . . > . - . . . . ? -0.412 64.9 -119.0 -78.7 151.1 2.1 36.0 -8.3 +8IRA W 396 ILE P . . . . P . - . . . . ? -0.414 37.9 -84.3 -82.4 163.2 4.4 38.9 -7.4 +8IRA W 397 ASN S . . . . < S + . . . . ? -0.354 86.4 92.7 -62.5 145.5 4.3 40.9 -4.2 +8IRA W 398 SER . . . . . . . + . . . . ? -0.225 66.9 72.2 166.2 -54.4 1.9 43.9 -4.0 +8IRA W 399 VAL . . . . . . . - . . . . ? -0.785 61.4 -154.8 -97.4 114.5 -1.4 42.7 -2.5 +8IRA W 400 ASN B . . . . . . + BP FJ CV . ? -0.779 47.7 130.6 -83.3 96.9 -1.4 42.0 1.2 +8IRA W 401 PHE . . . . . . . + . . . . ? -0.934 28.9 161.6 -159.2 129.0 -4.3 39.5 1.3 +8IRA W 402 VAL . . . . . . . - . . . . ? -0.926 45.6 -113.0 -140.0 128.1 -5.3 36.1 2.6 +8IRA W 403 SER . . > > . . . - . . . . ? -0.194 13.8 -129.3 -58.2 140.8 -9.0 35.3 2.8 +8IRA W 404 PRO H . 3 > . . S + . . . . ? 0.828 111.0 61.6 -52.2 -33.1 -10.5 34.8 6.3 +8IRA W 405 ARG H . 3 > . . S + . . . . ? 0.848 103.6 47.3 -66.2 -36.9 -11.9 31.6 4.9 +8IRA W 406 SER H . < > . . S + . . . . ? 0.967 114.4 46.3 -63.3 -55.7 -8.4 30.2 4.3 +8IRA W 407 TRP H . . X . . S + . . . . ? 0.875 117.8 43.3 -51.8 -45.0 -7.2 31.2 7.8 +8IRA W 408 LEU H . . X . . S + . . . . ? 0.837 116.4 45.8 -75.8 -36.0 -10.4 29.8 9.4 +8IRA W 409 ALA H . . X . . S + . . . . ? 0.944 116.0 43.7 -70.7 -50.0 -10.4 26.5 7.4 +8IRA W 410 THR H . . X . . S + . . . . ? 0.951 113.2 50.6 -62.9 -53.7 -6.7 25.7 7.8 +8IRA W 411 SER H . . X . . S + . . . . ? 0.889 113.2 46.1 -48.4 -48.1 -6.5 26.5 11.5 +8IRA W 412 HIS H . . X . . S + . . . . ? 0.734 109.4 53.5 -76.6 -24.1 -9.5 24.4 12.3 +8IRA W 413 PHE H . . X . . S + . . . . ? 0.932 110.4 48.1 -67.7 -46.1 -8.4 21.4 10.2 +8IRA W 414 VAL H . . X . . S + . . . . ? 0.931 115.9 43.5 -60.2 -49.1 -5.0 21.4 12.0 +8IRA W 415 LEU H . . X . . S + . . . . ? 0.939 113.7 50.9 -61.2 -46.1 -6.7 21.6 15.4 +8IRA W 416 ALA H . . X . . S + . . . . ? 0.886 110.3 50.8 -60.1 -40.4 -9.3 19.0 14.5 +8IRA W 417 PHE H . . X . . S + . . . . ? 0.942 111.3 45.7 -62.7 -50.0 -6.6 16.6 13.3 +8IRA W 418 PHE H . . X . . S + . . . . ? 0.834 109.4 56.2 -65.1 -32.6 -4.6 16.9 16.5 +8IRA W 419 PHE H . . X . . S + . . . . ? 0.816 105.1 52.3 -69.5 -29.5 -7.7 16.5 18.6 +8IRA W 420 LEU H . . X . . S + . . . . ? 0.922 109.6 48.6 -67.4 -43.9 -8.4 13.2 16.8 +8IRA W 421 VAL H . . X . . S + . . . . ? 0.904 110.3 52.0 -58.8 -44.2 -4.8 12.1 17.6 +8IRA W 422 GLY H . . X . . S + . . . . ? 0.888 107.2 53.1 -58.2 -41.4 -5.5 13.2 21.2 +8IRA W 423 HIS H . . X . . S + . . . . ? 0.953 110.2 46.8 -57.0 -53.1 -8.7 11.1 21.2 +8IRA W 424 LEU H . . X . . S + . . . . ? 0.891 114.0 49.1 -55.6 -42.4 -6.7 8.0 20.0 +8IRA W 425 TRP H . . X . . S + . . . . ? 0.955 118.3 36.3 -64.6 -53.6 -4.1 8.6 22.7 +8IRA W 426 HIS H . . X . . S + . . . . ? 0.850 116.7 52.3 -72.2 -34.3 -6.4 9.1 25.6 +8IRA W 427 ALA H . . X . . S + . . . . ? 0.916 111.9 46.9 -66.6 -43.4 -8.9 6.5 24.5 +8IRA W 428 GLY H . . X . . S + . . . . ? 0.885 116.2 45.0 -62.0 -41.0 -6.2 3.9 24.1 +8IRA W 429 ARG H . . X . . S + . . . . ? 0.840 109.1 54.7 -74.2 -37.5 -4.7 4.8 27.5 +8IRA W 430 ALA H . . X . . S + . . . . ? 0.941 111.2 46.8 -59.2 -47.7 -8.1 4.9 29.3 +8IRA W 431 ARG H . . X . . S + . . . . ? 0.931 114.6 45.8 -57.4 -50.7 -8.7 1.3 28.1 +8IRA W 432 ALA H . . X > . S + . . . . ? 0.861 113.2 49.6 -65.4 -38.2 -5.3 0.1 29.1 +8IRA W 433 ALA H . . < 5 . S + . . . . ? 0.882 109.1 51.1 -68.5 -40.6 -5.4 1.7 32.5 +8IRA W 434 ALA H . . < 5 . S + . . . . ? 0.851 113.8 44.9 -64.6 -35.5 -8.8 0.3 33.4 +8IRA W 435 ALA H . . < 5 . S - . . . . ? 0.620 118.8 -118.5 -84.7 -15.5 -7.6 -3.2 32.4 +8IRA W 436 GLY T . . < 5 . S + . . . . ? 0.790 86.2 96.6 90.3 32.2 -4.4 -2.5 34.4 +8IRA W 437 PHE . . > . < . . + . . . . ? 0.059 38.5 114.5 -135.5 29.9 -1.6 -2.7 31.9 +8IRA W 438 GLU T . 3 . . . S + . . . . ? 0.722 80.1 52.6 -70.9 -21.2 -0.9 0.9 30.9 +8IRA W 439 LYS T . 3 . . . S - . . . . ? 0.454 123.1 -82.1 -94.7 -2.9 2.5 0.8 32.5 +8IRA W 440 GLY . . < . . . . - . . . . ? -0.671 59.1 -42.5 131.4 178.2 3.7 -2.3 30.7 +8IRA W 441 ILE B . . . . . . - BQ FK CW . ? -0.646 53.9 -120.4 -83.4 132.8 3.5 -6.1 30.6 +8IRA W 442 ASP . . > . . . . - . . . . ? -0.621 17.4 -147.7 -73.0 123.8 3.9 -8.0 33.9 +8IRA W 443 ARG G . > . . . S + . . . . ? 0.886 95.4 49.4 -61.4 -41.2 7.0 -10.2 33.5 +8IRA W 444 GLU G . 3 . . . S + . . . . ? 0.545 123.1 31.5 -75.2 -11.9 5.6 -13.0 35.8 +8IRA W 445 SER G . < . . . S + . . . . ? -0.216 72.3 168.8 -144.8 47.4 2.3 -13.1 34.0 +8IRA W 446 GLU . . X > . . . - . . . . ? -0.525 28.3 -146.2 -69.7 111.8 2.9 -12.2 30.3 +8IRA W 447 PRO G . > 4 . . S + . . . . ? 0.829 92.4 58.6 -48.2 -45.3 -0.4 -13.0 28.5 +8IRA W 448 VAL G . > 4 . . S + . . . . ? 0.763 96.2 63.2 -61.4 -28.0 1.1 -14.2 25.2 +8IRA W 449 LEU G . < 4 . . S + . . . . ? 0.815 102.3 50.8 -66.8 -29.5 3.2 -16.9 26.9 +8IRA W 450 SER G . < < . . S + . . . . ? 0.501 95.1 92.5 -81.4 -8.5 -0.1 -18.6 28.0 +8IRA W 451 MET S . < . . > S - . . . . ? -0.640 84.5 -105.5 -91.5 146.0 -1.5 -18.5 24.4 +8IRA W 452 PRO P . . . . P . - . . . . ? -0.216 44.9 -96.2 -62.1 156.9 -1.0 -21.4 21.9 +8IRA W 453 SER P . . . . < . - . . . . ? -0.462 23.1 -130.3 -72.5 151.0 1.5 -20.8 19.1 +8IRA W 454 LEU . . . . . . . . . . . . ? 0.639 . . -72.2 -20.1 0.2 -19.6 15.8 +8IRA W 455 ASP . . . . . . . . . . . . ? 0.310 . . -166.1 . 2.0 -22.3 13.9 +8IRA X 1 ARG . . . . . . . . . . . . ? . . . . 42.9 58.5 7.1 24.8 +8IRA X 2 GLY . . > > . . . - . . . . ? -0.450 . -100.6 -79.8 163.7 59.2 9.0 21.5 +8IRA X 3 TRP H . 3 > . . S + . . . . ? 0.798 123.1 59.7 -53.9 -32.4 57.5 12.3 20.7 +8IRA X 4 PHE H . 3 > . . S + . . . . ? 0.914 107.8 42.4 -62.6 -46.8 55.1 10.3 18.5 +8IRA X 5 ASP H . < > . . S + . . . . ? 0.873 113.7 51.9 -69.8 -39.4 53.9 8.1 21.3 +8IRA X 6 ILE H . . X . . S + . . . . ? 0.886 111.5 48.1 -59.7 -42.9 53.7 11.1 23.7 +8IRA X 7 LEU H . . X . . S + . . . . ? 0.897 109.0 53.0 -67.6 -40.2 51.6 12.9 21.1 +8IRA X 8 ASP H . . X . . S + . . . . ? 0.901 107.9 52.5 -59.4 -42.8 49.4 9.9 20.6 +8IRA X 9 ASP H . . < . . S + . . . . ? 0.951 111.6 44.8 -55.3 -54.4 48.8 9.8 24.3 +8IRA X 10 TRP H . > < . . S + . . . . ? 0.922 111.9 51.9 -57.4 -48.4 47.7 13.5 24.4 +8IRA X 11 LEU H . 3 < . . S + . . . . ? 0.743 112.8 44.7 -62.9 -28.8 45.5 13.2 21.3 +8IRA X 12 LYS T . 3 < . . S + . . . . ? 0.174 79.9 134.3 -106.0 14.2 43.5 10.2 22.7 +8IRA X 13 ARG B . < . . . . - BK EX CO . ? -0.339 67.4 -109.7 -60.6 145.1 43.0 11.5 26.2 +8IRA X 14 ASP . . . . . . . + . . . . ? -0.708 62.7 146.9 -81.6 96.7 39.5 11.0 27.5 +8IRA X 15 ARG . . . . . . . - . . . . ? -0.699 66.1 -89.8 -124.3 177.9 38.2 14.6 27.5 +8IRA X 16 PHE S . . . . . S + . . . . ? 0.872 123.3 35.7 -59.8 -41.7 34.9 16.3 26.9 +8IRA X 17 VAL S . . . . . S - . . . . ? -0.961 88.7 -141.9 -112.9 109.0 35.7 16.6 23.2 +8IRA X 18 PHE . . . . . . . - . . . . ? -0.523 20.8 -178.8 -66.0 134.8 37.7 13.6 22.0 +8IRA X 19 VAL . . . > . . . + . . . . ? 0.861 11.1 165.4 -99.6 -69.3 40.3 14.8 19.5 +8IRA X 20 GLY T . . 4 . . . - . . . . ? 0.060 63.0 -70.1 69.7 171.5 42.3 11.8 18.1 +8IRA X 21 TRP T . > > . . S + . . . . ? 0.876 135.3 62.2 -59.1 -39.6 44.5 11.8 15.0 +8IRA X 22 SER H . > > . . S + . . . . ? 0.797 91.1 67.5 -55.4 -31.9 41.3 12.2 13.0 +8IRA X 23 GLY H . 3 X . . S + . . . . ? 0.757 86.1 66.7 -65.1 -29.4 40.7 15.5 14.7 +8IRA X 24 ILE H . < 4 . . S + . . . . ? 0.868 115.8 29.0 -58.3 -39.1 43.7 17.2 13.0 +8IRA X 25 LEU H . < X . . S + . . . . ? 0.883 123.3 48.8 -84.0 -46.4 41.8 16.8 9.7 +8IRA X 26 LEU H . . X . . S + . . . . ? 0.928 107.1 49.4 -63.2 -53.0 38.2 16.9 10.9 +8IRA X 27 PHE H . . X . . S + . . . . ? 0.908 113.0 41.4 -66.9 -49.1 38.1 20.0 13.2 +8IRA X 28 PRO H . . > . . S + . . . . ? 0.982 120.1 45.2 -57.1 -53.7 39.8 22.7 10.9 +8IRA X 29 CYS H . . X . . S + . . . . ? 0.863 115.2 45.7 -62.1 -42.4 38.0 21.5 7.8 +8IRA X 30 ALA H . . X . . S + . . . . ? 0.880 114.1 49.8 -66.5 -39.6 34.5 21.2 9.5 +8IRA X 31 TYR H . . X . . S + . . . . ? 0.924 113.5 45.0 -65.1 -44.8 34.9 24.6 11.2 +8IRA X 32 LEU H . . X . . S + . . . . ? 0.862 111.3 52.9 -69.1 -38.1 35.9 26.3 7.9 +8IRA X 33 ALA H . . X . . S + . . . . ? 0.925 116.6 39.1 -62.8 -43.2 33.2 24.6 5.9 +8IRA X 34 LEU H . . X . . S + . . . . ? 0.941 117.2 50.0 -70.1 -47.9 30.6 25.8 8.5 +8IRA X 35 GLY H . . X . . S + . . . . ? 0.862 109.3 52.4 -57.7 -41.1 32.3 29.2 8.9 +8IRA X 36 GLY H . . X . . S + . . . . ? 0.903 109.6 48.2 -60.9 -45.3 32.4 29.7 5.1 +8IRA X 37 TRP H . . X . . S + . . . . ? 0.939 115.1 44.8 -61.5 -47.4 28.7 29.0 4.7 +8IRA X 38 LEU H . . X . . S + . . . . ? 0.908 115.0 48.1 -65.5 -44.4 27.8 31.4 7.6 +8IRA X 39 THR H . . X . . S + . . . . ? 0.942 116.3 44.0 -56.0 -50.6 30.2 34.1 6.3 +8IRA X 40 GLY H . . X . . S + . . . . ? 0.906 112.4 48.7 -68.1 -44.7 28.9 33.8 2.8 +8IRA X 41 THR H . . < . . S + . . . . ? 0.758 117.7 44.8 -66.0 -23.9 25.1 33.7 3.5 +8IRA X 42 THR H . . < . . S + . . . . ? 0.877 134.4 4.8 -84.5 -40.6 25.6 36.7 5.8 +8IRA X 43 PHE H . . < . . S + . . . . ? 0.638 100.9 93.0 -122.5 -22.7 27.8 39.0 3.7 +8IRA X 44 VAL . . . < . . . - . . . . ? -0.692 52.4 -149.9 -99.7 136.9 28.5 37.6 0.2 +8IRA X 45 THR . . . . . . . - . . . . ? -0.346 15.3 -152.8 -87.1 168.4 26.5 38.3 -3.0 +8IRA X 46 SER B . . > > . . + BR FM CX . ? 0.036 63.0 114.6 -123.7 20.6 25.9 36.3 -6.1 +8IRA X 47 TRP H . . > 5 . S + . . . . ? 0.914 77.8 41.4 -53.7 -51.8 25.5 39.3 -8.4 +8IRA X 48 TYR H . . 4 5 . S + . . . . ? 0.655 124.8 36.1 -79.0 -15.6 28.6 38.8 -10.6 +8IRA X 49 THR H . . 4 5 . S + . . . . ? 0.742 139.1 4.6 -104.3 -34.1 28.1 35.0 -10.9 +8IRA X 50 HIS H . . < 5 . S - . . . . ? 0.553 89.8 -112.2 -128.4 -18.9 24.4 34.5 -11.1 +8IRA X 51 GLY S . . < < . S + . . . . ? 0.828 78.9 124.9 78.7 35.5 22.6 37.9 -11.2 +8IRA X 52 LEU B . . . . . . - BR FN CX . ? -0.981 63.3 -134.8 -134.8 139.0 21.3 37.2 -7.7 +8IRA X 53 ALA . . . . . . . + . . . . ? -0.687 33.8 163.4 -79.3 145.5 21.2 38.7 -4.2 +8IRA X 54 SER . . . . . . . + . . . . ? 0.217 37.9 78.4 -156.1 20.8 22.0 35.9 -1.7 +8IRA X 55 SER S . . > > . S - . . . . ? -0.914 77.0 -116.4 -136.0 159.9 23.0 37.3 1.7 +8IRA X 56 TYR T . > 4 5 . S + . . . . ? 0.901 115.5 61.5 -58.5 -40.2 21.4 38.8 4.8 +8IRA X 57 LEU T . 3 4 5 . S + . . . . ? 0.842 103.9 47.7 -54.8 -39.8 23.2 42.0 4.0 +8IRA X 58 GLU T . 3 4 5 . S - . . . . ? 0.549 129.4 -92.8 -82.2 -9.6 21.4 42.3 0.6 +8IRA X 59 GLY T . < < 5 . S + . . . . ? 0.438 78.1 139.1 114.3 2.2 18.0 41.7 2.2 +8IRA X 60 CYS . . . . < . . - . . . . ? -0.356 40.7 -139.5 -70.5 158.9 17.6 37.9 1.8 +8IRA X 61 ASN . . > > . . . - . . . . ? -0.558 37.8 -80.0 -110.7 178.9 16.1 35.8 4.6 +8IRA X 62 PHE T . 3 4 . . S + . . . . ? 0.786 129.4 48.4 -50.3 -35.4 17.1 32.3 6.0 +8IRA X 63 LEU T . 3 4 . . S + . . . . ? 0.776 117.1 39.1 -77.2 -29.6 15.2 30.6 3.1 +8IRA X 64 THR T . < 4 . . S + . . . . ? 0.561 88.8 101.4 -104.3 -9.7 16.8 32.6 0.3 +8IRA X 65 VAL . . . < . . . + . . . . ? -0.417 46.2 158.6 -68.9 150.0 20.4 33.1 1.3 +8IRA X 66 ALA E . . . . . . - BS FO CY . ? -0.971 50.5 -122.7 -155.8 162.3 23.0 30.9 -0.3 +8IRA X 67 VAL E . . . . . . - BS FO CY . ? -0.981 51.1 -150.8 -98.2 105.9 26.6 30.5 -1.1 +8IRA X 68 SER P . . . . > . - . . . . ? -0.395 14.6 -95.7 -82.1 157.4 26.1 30.2 -4.8 +8IRA X 69 THR P . . . . P . - . . . . ? -0.138 49.3 -92.3 -62.7 159.2 28.2 28.3 -7.3 +8IRA X 70 PRO P . . . . P . - . . . . ? -0.177 55.0 -76.1 -65.0 170.3 30.9 30.1 -9.4 +8IRA X 71 ALA P . > . . < . - . . . . ? -0.325 40.4 -116.4 -64.5 148.9 30.2 31.6 -12.8 +8IRA X 72 ASN G . > . . . S + . . . . ? 0.794 112.1 67.9 -57.0 -31.4 30.0 29.1 -15.7 +8IRA X 73 SER G . 3 . . . S + . . . . ? 0.650 87.3 67.4 -67.9 -14.3 33.1 30.8 -17.2 +8IRA X 74 MET G . X . . . S - . . . . ? 0.520 84.4 -169.2 -77.0 -7.5 35.2 29.5 -14.4 +8IRA X 75 GLY T . < . . . . - . . . . ? -0.258 63.8 -28.5 49.9 -132.4 34.7 25.9 -15.6 +8IRA X 76 HIS T . 3 . . . S + . . . . ? -0.080 90.2 156.9 -102.8 32.0 35.9 23.4 -13.0 +8IRA X 77 SER . . < . . . . - . . . . ? -0.297 47.9 -136.5 -53.4 138.5 38.6 25.8 -11.6 +8IRA X 78 LEU . . . . . . . - . . . . ? 0.705 30.2 -146.2 -67.3 -20.8 39.6 25.0 -8.0 +8IRA X 79 LEU . . . . . . . - . . . . ? 0.897 21.5 -170.2 50.7 51.3 39.4 28.8 -7.5 +8IRA X 80 LEU . . > . . . . - . . . . ? -0.357 31.3 -121.4 -65.8 148.2 42.2 28.8 -5.0 +8IRA X 81 LEU T . 3 . . . S + . . . . ? 0.889 117.2 40.7 -57.8 -40.6 42.5 32.2 -3.2 +8IRA X 82 TRP T . 3 . . . S + . . . . ? 0.259 97.5 114.0 -90.9 7.2 46.1 32.4 -4.6 +8IRA X 83 GLY S . < > . . S - . . . . ? -0.085 85.4 -94.2 -73.3 178.7 45.1 31.0 -8.0 +8IRA X 84 PRO T . . 4 . . S + . . . . ? 0.705 117.6 56.7 -71.6 -19.7 45.2 32.8 -11.3 +8IRA X 85 GLU T . . 4 . . S + . . . . ? 0.955 123.0 19.2 -73.9 -56.4 41.5 33.9 -11.2 +8IRA X 86 ALA T . > 4 . . S - . . . . ? 0.770 86.1 -154.0 -86.6 -31.5 41.5 35.8 -7.9 +8IRA X 87 GLN T . 3 < . . S - . . . . ? 0.849 70.1 -52.3 58.4 39.1 45.3 36.4 -7.7 +8IRA X 88 GLY T . 3 . . . S + . . . . ? 0.389 101.3 133.9 83.4 -1.6 45.2 36.6 -3.9 +8IRA X 89 ASP . . < > . . . - . . . . ? -0.747 40.2 -163.0 -86.3 111.7 42.5 39.3 -3.7 +8IRA X 90 PHE H . . > . . S + . . . . ? 0.846 87.1 50.7 -61.3 -41.4 40.1 38.2 -1.0 +8IRA X 91 THR H . . > . . S + . . . . ? 0.943 112.7 45.0 -65.4 -48.4 37.3 40.5 -2.1 +8IRA X 92 ARG H . . > . . S + . . . . ? 0.889 109.0 57.6 -62.4 -40.6 37.4 39.4 -5.8 +8IRA X 93 TRP H . . < > . S + . . . . ? 0.859 107.7 48.1 -55.7 -41.6 37.6 35.8 -4.7 +8IRA X 94 CYS H . > < 5 . S + . . . . ? 0.935 112.3 47.9 -62.6 -48.1 34.3 36.2 -2.8 +8IRA X 95 GLN H . 3 < 5 . S + . . . . ? 0.632 109.2 54.5 -70.7 -17.6 32.7 37.9 -5.9 +8IRA X 96 LEU T . 3 < 5 . S - . . . . ? 0.534 123.0 -101.3 -94.4 -7.7 33.9 35.2 -8.2 +8IRA X 97 GLY T . X > 5 . S + . . . . ? 0.636 73.2 143.6 98.2 21.1 32.4 32.4 -6.1 +8IRA X 98 GLY H . 3 > < . . + . . . . ? 0.793 64.4 67.5 -62.5 -31.3 35.5 31.2 -4.3 +8IRA X 99 LEU H . 3 > . . S + . . . . ? 0.802 93.9 61.0 -59.8 -26.2 33.6 30.5 -1.2 +8IRA X 100 TRP H . < > . . S + . . . . ? 0.946 108.8 37.9 -66.8 -51.9 31.8 27.7 -3.0 +8IRA X 101 THR H . . X . . S + . . . . ? 0.888 114.8 58.0 -66.5 -38.6 34.9 25.6 -3.8 +8IRA X 102 PHE H . . X . . S + . . . . ? 0.960 113.4 37.9 -48.1 -57.7 36.2 26.6 -0.3 +8IRA X 103 ILE H . . X . . S + . . . . ? 0.938 117.4 49.9 -64.5 -49.0 33.1 25.1 1.3 +8IRA X 104 ALA H . . X . . S + . . . . ? 0.910 116.6 40.1 -58.6 -45.7 32.8 22.1 -1.0 +8IRA X 105 LEU H . . X . . S + . . . . ? 0.906 118.8 44.1 -74.8 -43.6 36.4 21.0 -0.7 +8IRA X 106 HIS H . . X . . S + . . . . ? 0.915 113.9 53.5 -65.7 -40.4 36.8 21.6 3.0 +8IRA X 107 GLY H . . X . . S + . . . . ? 0.908 107.7 51.2 -55.4 -43.5 33.4 20.0 3.5 +8IRA X 108 ALA H . . X . . S + . . . . ? 0.948 113.4 42.2 -61.7 -51.5 34.6 16.9 1.6 +8IRA X 109 PHE H . . X . . S + . . . . ? 0.827 110.8 58.0 -66.3 -33.2 37.8 16.5 3.7 +8IRA X 110 GLY H . . X . . S + . . . . ? 0.876 105.0 50.5 -58.9 -40.4 35.8 17.2 6.8 +8IRA X 111 LEU H . . X . . S + . . . . ? 0.877 109.0 50.7 -67.4 -39.2 33.5 14.3 5.9 +8IRA X 112 ILE H . . X . . S + . . . . ? 0.943 111.0 50.8 -57.9 -48.7 36.6 12.1 5.5 +8IRA X 113 GLY H . . X . . S + . . . . ? 0.889 109.0 49.7 -55.0 -45.1 37.7 13.3 8.9 +8IRA X 114 PHE H . . X . . S + . . . . ? 0.905 111.7 48.1 -65.9 -42.1 34.4 12.5 10.5 +8IRA X 115 MET H . . X . . S + . . . . ? 0.874 111.2 50.3 -66.0 -37.8 34.4 9.0 9.1 +8IRA X 116 LEU H . . X . . S + . . . . ? 0.874 107.8 55.5 -65.2 -37.9 38.0 8.4 10.3 +8IRA X 117 ARG H . . X . . S + . . . . ? 0.865 105.2 51.6 -57.3 -41.7 36.9 9.7 13.7 +8IRA X 118 GLN H . . X . . S + . . . . ? 0.910 112.8 45.4 -62.1 -45.2 34.2 7.0 13.7 +8IRA X 119 PHE H . . X . . S + . . . . ? 0.895 113.8 50.0 -61.1 -42.9 36.8 4.3 12.9 +8IRA X 120 GLU H . . X . . S + . . . . ? 0.940 113.3 43.2 -65.8 -50.4 39.2 5.8 15.5 +8IRA X 121 ILE H . . X . . S + . . . . ? 0.876 112.1 54.5 -63.6 -40.4 36.8 5.9 18.4 +8IRA X 122 ALA H . . X > . S + . . . . ? 0.955 108.1 50.2 -56.3 -48.9 35.4 2.4 17.5 +8IRA X 123 ARG H . . < 5 . S + . . . . ? 0.835 113.9 43.7 -60.4 -38.0 38.9 1.0 17.7 +8IRA X 124 LEU H . . < 5 . S + . . . . ? 0.873 117.5 43.1 -77.4 -40.8 39.7 2.5 21.1 +8IRA X 125 VAL H . . < 5 . S - . . . . ? 0.746 112.5 -121.9 -75.4 -27.7 36.3 1.6 22.7 +8IRA X 126 GLY T . . < 5 . . + . . . . ? 0.897 62.6 129.0 88.9 46.6 36.4 -1.8 21.2 +8IRA X 127 VAL . . . . < . . - . . . . ? -0.802 64.5 -87.5 -122.8 168.1 33.3 -2.0 19.1 +8IRA X 128 ARG . . . . . . . - . . . . ? -0.412 37.0 -122.8 -75.2 147.4 32.6 -3.0 15.5 +8IRA X 129 PRO . . . > . . . + . . . . ? -0.134 69.8 124.4 -87.1 44.6 32.8 -0.1 12.9 +8IRA X 130 TYR H . . > . . . + . . . . ? 0.836 69.3 59.2 -74.2 -30.5 29.3 -0.4 11.5 +8IRA X 131 ASN H . . > . . S + . . . . ? 0.946 108.6 46.0 -57.4 -47.5 28.4 3.3 12.3 +8IRA X 132 ALA H . . > . . S + . . . . ? 0.882 111.7 51.1 -61.0 -42.6 31.4 4.2 10.1 +8IRA X 133 ILE H . > < . . S + . . . . ? 0.859 108.9 51.8 -63.6 -35.8 30.3 1.8 7.3 +8IRA X 134 ALA H . > < . . S + . . . . ? 0.849 100.7 62.9 -67.0 -33.2 26.8 3.3 7.5 +8IRA X 135 PHE H . 3 X . . S + . . . . ? 0.634 81.3 82.1 -71.4 -12.6 28.3 6.8 7.1 +8IRA X 136 SER H . < X . . S + . . . . ? 0.772 83.8 61.6 -58.3 -29.2 29.6 5.8 3.6 +8IRA X 137 ALA H . < > . . S + . . . . ? 0.968 102.8 46.1 -68.6 -53.3 26.1 6.5 2.2 +8IRA X 138 PRO H . . > . . S + . . . . ? 0.922 114.6 50.4 -49.8 -45.2 26.0 10.3 3.1 +8IRA X 139 ILE H . . X . . S + . . . . ? 0.944 108.3 51.4 -59.4 -49.0 29.6 10.6 1.7 +8IRA X 140 ALA H . . X . . S + . . . . ? 0.883 112.6 47.2 -54.0 -41.0 28.5 8.8 -1.5 +8IRA X 141 VAL H . . X . . S + . . . . ? 0.959 112.5 47.1 -66.5 -54.1 25.7 11.3 -1.8 +8IRA X 142 PHE H . . X . . S + . . . . ? 0.925 116.1 45.9 -52.6 -46.0 27.8 14.4 -1.1 +8IRA X 143 VAL H . . X > . S + . . . . ? 0.893 114.6 45.2 -67.5 -44.4 30.4 13.3 -3.5 +8IRA X 144 SER I . . < > . S + . . . . ? 0.887 122.9 35.4 -66.6 -37.6 28.1 12.3 -6.4 +8IRA X 145 VAL I . . < 5 . S + . . . . ? 0.883 125.7 33.9 -87.5 -45.6 26.0 15.4 -6.1 +8IRA X 146 PHE I . . < 5 . S + . . . . ? 0.656 135.5 14.0 -89.7 -17.0 28.4 18.2 -5.2 +8IRA X 147 LEU I . . X 5 . S + . . . . ? 0.701 124.9 42.4 -122.8 -59.3 31.5 16.9 -7.1 +8IRA X 148 ILE I . . > < . S + . . . . ? 0.935 112.1 55.3 -62.6 -46.5 30.9 14.2 -9.7 +8IRA X 149 TYR H . . > < . S + . . . . ? 0.925 113.0 38.4 -56.2 -56.4 27.7 15.8 -11.1 +8IRA X 150 PRO H . . 4 . . S + . . . . ? 0.842 110.9 61.2 -62.0 -31.2 29.2 19.2 -11.9 +8IRA X 151 LEU H . . < . . S + . . . . ? 0.791 105.5 48.3 -66.7 -27.0 32.5 17.6 -13.1 +8IRA X 152 GLY H . . < . . S + . . . . ? 0.789 111.0 61.1 -77.1 -28.3 30.5 15.8 -15.7 +8IRA X 153 GLN S . . < . . S - . . . . ? -0.027 108.1 -83.6 -89.0 -167.0 28.7 19.1 -16.8 +8IRA X 154 SER S . . . . . S - . . . . ? 0.780 95.6 -25.5 -74.8 -29.6 30.3 22.3 -18.2 +8IRA X 155 SER S . > . . . S - . . . . ? -0.971 71.4 -80.2 -169.1 173.2 31.3 23.9 -14.8 +8IRA X 156 TRP G . > . . . S + . . . . ? 0.663 107.6 85.9 -60.0 -20.4 30.8 24.2 -11.1 +8IRA X 157 PHE G . 3 . . . S + . . . . ? 0.827 87.2 50.4 -52.7 -35.7 27.9 26.6 -11.9 +8IRA X 158 PHE G . < . . . S + . . . . ? 0.534 88.2 100.5 -89.6 -5.7 25.5 23.6 -12.3 +8IRA X 159 ALA S . < . . > S - . . . . ? -0.177 92.4 -81.9 -57.4 167.6 26.4 22.1 -9.0 +8IRA X 160 PRO P . . . . P . - . . . . ? -0.582 42.2 -129.3 -72.8 138.6 23.9 22.8 -6.1 +8IRA X 161 SER P . . . . < . - . . . . ? -0.633 27.6 -107.7 -81.0 148.7 24.3 26.1 -4.4 +8IRA X 162 PHE E . . . . . S + BS FP CY . ? -0.612 81.3 89.3 -85.9 83.3 24.5 25.9 -0.6 +8IRA X 163 GLY E . . > . . S - BS FP CY . ? -0.970 78.7 -110.0 -169.1 164.0 21.1 27.3 0.4 +8IRA X 164 VAL H . . > . . S + . . . . ? 0.983 117.5 32.4 -68.2 -61.0 17.5 26.4 1.1 +8IRA X 165 ALA H . . > . . S + . . . . ? 0.794 115.7 60.9 -65.9 -29.2 15.8 27.9 -1.9 +8IRA X 166 ALA H . . > . . S + . . . . ? 0.922 105.2 47.1 -64.8 -44.3 18.9 27.2 -4.0 +8IRA X 167 ILE H . . X . . S + . . . . ? 0.877 107.8 56.2 -62.1 -39.3 18.5 23.5 -3.4 +8IRA X 168 PHE H . . X . . S + . . . . ? 0.928 105.6 51.8 -58.1 -42.5 14.8 23.7 -4.2 +8IRA X 169 ARG H . . X . . S + . . . . ? 0.923 106.6 54.7 -55.9 -42.8 15.9 25.2 -7.5 +8IRA X 170 PHE H . . X . . S + . . . . ? 0.918 105.9 51.4 -57.7 -47.1 18.2 22.2 -7.9 +8IRA X 171 LEU H . . X . . S + . . . . ? 0.920 113.3 44.1 -53.4 -47.9 15.2 19.8 -7.4 +8IRA X 172 LEU H . . X . . S + . . . . ? 0.815 109.8 54.6 -75.7 -33.0 13.1 21.5 -10.0 +8IRA X 173 PHE H . . X > . S + . . . . ? 0.935 107.7 52.2 -59.1 -45.9 16.0 21.8 -12.5 +8IRA X 174 PHE H . . X 5 . S + . . . . ? 0.812 110.5 47.5 -64.4 -33.2 16.4 18.0 -12.2 +8IRA X 175 GLN H . . X 5 . S + . . . . ? 0.985 117.8 40.4 -63.9 -59.9 12.7 17.4 -12.9 +8IRA X 176 GLY H . . < 5 . S + . . . . ? 0.867 128.9 26.0 -61.2 -45.9 12.6 19.7 -16.0 +8IRA X 177 PHE H . . < 5 . S + . . . . ? 0.876 135.2 25.9 -90.1 -40.5 15.9 18.8 -17.6 +8IRA X 178 HIS H . . < < . S - . . . . ? 0.498 85.4 -135.5 -104.0 -8.3 16.7 15.3 -16.4 +8IRA X 179 ASN . . > < . . . + . . . . ? 0.857 38.8 172.5 51.0 42.1 13.2 13.9 -15.7 +8IRA X 180 TRP G . > . . . . + . . . . ? 0.633 63.2 67.7 -62.9 -21.7 14.8 12.5 -12.5 +8IRA X 181 THR G . 3 . . . S + . . . . ? 0.782 98.5 56.9 -65.7 -23.0 11.5 11.3 -10.9 +8IRA X 182 LEU G . < . . . S + . . . . ? 0.492 82.4 107.1 -82.4 -6.8 11.5 8.7 -13.7 +8IRA X 183 ASN . . < > . . . - . . . . ? -0.607 63.2 -148.1 -85.0 125.8 14.9 7.3 -12.8 +8IRA X 184 PRO H . . > . . S + . . . . ? 0.812 99.2 57.5 -62.2 -31.2 14.8 3.8 -11.2 +8IRA X 185 PHE H . . > . . S + . . . . ? 0.864 108.3 46.4 -66.5 -39.6 17.9 4.7 -9.2 +8IRA X 186 HIS H . . > . . S + . . . . ? 0.916 109.9 54.0 -62.2 -44.1 16.1 7.6 -7.7 +8IRA X 187 MET H . . X . . S + . . . . ? 0.910 107.5 50.6 -59.7 -41.2 13.1 5.4 -7.1 +8IRA X 188 MET H . . X . . S + . . . . ? 0.888 110.1 50.7 -62.3 -39.7 15.2 3.0 -5.1 +8IRA X 189 GLY H . . X . . S + . . . . ? 0.909 108.8 50.6 -64.3 -43.5 16.6 5.9 -3.1 +8IRA X 190 VAL H . . X . . S + . . . . ? 0.929 110.4 50.2 -57.5 -48.7 13.1 7.1 -2.3 +8IRA X 191 ALA H . . X . . S + . . . . ? 0.831 111.9 48.3 -59.8 -37.0 12.1 3.6 -1.2 +8IRA X 192 GLY H . . X . . S + . . . . ? 0.905 115.3 43.0 -68.6 -45.4 15.2 3.4 1.1 +8IRA X 193 VAL H . . X . . S + . . . . ? 0.951 121.2 38.7 -68.2 -52.4 14.6 6.8 2.7 +8IRA X 194 LEU H . . X . . S + . . . . ? 0.904 116.8 53.9 -63.1 -40.1 10.9 6.5 3.2 +8IRA X 195 GLY H . . X . . S + . . . . ? 0.798 109.5 47.6 -63.6 -32.6 11.5 2.8 4.1 +8IRA X 196 GLY H . . X . . S + . . . . ? 0.889 109.7 51.3 -73.2 -44.2 14.0 3.9 6.8 +8IRA X 197 ALA H . . X . . S + . . . . ? 0.862 111.4 51.1 -58.4 -37.0 11.7 6.5 8.2 +8IRA X 198 LEU H . . X . . S + . . . . ? 0.937 111.1 45.2 -62.3 -53.4 9.1 3.7 8.3 +8IRA X 199 LEU H . . X . . S + . . . . ? 0.862 111.3 54.4 -60.5 -40.5 11.3 1.3 10.2 +8IRA X 200 CYS H . . X . . S + . . . . ? 0.981 114.1 40.2 -54.0 -58.3 12.4 4.1 12.5 +8IRA X 201 ALA H . . X . . S + . . . . ? 0.914 117.9 47.0 -59.3 -46.8 8.8 4.8 13.5 +8IRA X 202 ILE H . . X . . S + . . . . ? 0.864 114.0 45.7 -70.0 -37.5 7.6 1.2 13.6 +8IRA X 203 HIS H . . X . . S + . . . . ? 0.923 115.1 47.5 -69.7 -47.4 10.6 -0.1 15.7 +8IRA X 204 GLY H . . X . . S + . . . . ? 0.920 115.0 45.3 -56.0 -49.7 10.4 2.8 18.2 +8IRA X 205 ALA H . . X . . S + . . . . ? 0.861 111.6 53.1 -64.8 -38.7 6.6 2.5 18.6 +8IRA X 206 THR H . > < . . S + . . . . ? 0.952 110.7 45.8 -62.4 -52.2 6.8 -1.3 18.9 +8IRA X 207 VAL H . > < . . S + . . . . ? 0.963 112.4 50.8 -53.0 -56.7 9.4 -1.1 21.7 +8IRA X 208 GLU H . 3 < . . S + . . . . ? 0.630 114.4 45.2 -62.1 -14.6 7.5 1.6 23.6 +8IRA X 209 ASN T . < < . . S + . . . . ? 0.150 112.4 48.2 -118.6 18.6 4.3 -0.4 23.4 +8IRA X 210 THR S . < . . . S + . . . . ? 0.106 80.2 142.3 -131.9 20.5 5.7 -3.8 24.4 +8IRA X 211 LEU B . . . . . . - BT FQ CZ . ? -0.243 51.4 -123.0 -56.5 141.8 7.6 -2.5 27.5 +8IRA X 212 PHE B . . . . . . - BQ FL CW . ? -0.577 29.2 -109.7 -75.4 150.1 7.7 -4.7 30.6 +8IRA X 213 GLN . . . . . . . + . . . . ? -0.762 53.0 157.6 -83.4 98.9 6.4 -3.1 33.7 +8IRA X 214 ASP . . . . . . . + . . . . ? 0.059 61.1 28.2 -111.2 21.5 9.6 -2.6 35.6 +8IRA X 215 GLY S . . . . . S - . . . . ? -0.963 70.6 -122.2 -166.2 174.0 8.4 0.2 37.8 +8IRA X 216 GLU S . . . . . S + . . . . ? 0.586 75.0 102.8 -103.9 -14.3 5.3 1.7 39.5 +8IRA X 217 GLY S . . . . . S - . . . . ? -0.304 74.3 -129.0 -71.4 153.7 5.4 5.2 38.0 +8IRA X 218 ALA S . . . . . S + . . . . ? 0.733 98.9 78.3 -72.2 -23.6 3.1 6.3 35.2 +8IRA X 219 SER . . > . . . . - . . . . ? -0.792 68.8 -167.5 -84.1 103.8 6.3 7.5 33.5 +8IRA X 220 THR T . 3 . . . S + . . . . ? 0.462 71.8 81.5 -75.1 -2.9 7.8 4.3 32.1 +8IRA X 221 PHE T . 3 . . . S + . . . . ? 0.797 84.5 58.2 -72.0 -31.6 11.1 5.9 31.3 +8IRA X 222 ARG S . < . . . S + . . . . ? 0.676 87.0 79.5 -72.0 -20.2 12.4 5.6 34.9 +8IRA X 223 ALA S . . . . . S + . . . . ? -0.294 79.9 85.2 -87.6 50.5 12.0 1.8 34.9 +8IRA X 224 PHE . . . . . . . - . . . . ? -0.985 53.0 -167.2 -145.6 149.7 15.2 1.2 33.0 +8IRA X 225 ASN . . > . . . . - . . . . ? -0.984 22.2 -138.4 -139.0 128.2 18.8 0.8 34.0 +8IRA X 226 PRO T . 3 . . . S + . . . . ? 0.766 104.4 48.1 -59.6 -27.8 21.8 0.8 31.4 +8IRA X 227 THR T . 3 . . . S + . . . . ? 0.147 82.8 120.1 -99.1 16.4 23.5 -2.0 33.2 +8IRA X 228 GLN . . < . . . . - . . . . ? -0.559 55.6 -148.1 -76.9 148.9 20.5 -4.3 33.5 +8IRA X 229 ALA . . . . . . . + . . . . ? 0.848 68.7 85.0 -82.7 -38.3 20.9 -7.7 31.7 +8IRA X 230 GLU B . . . . . S - AV DP BV . ? -0.347 85.8 -104.3 -76.5 144.0 17.2 -8.2 30.7 +8IRA X 231 GLU . . . . . . . - . . . . ? -0.310 24.1 -140.4 -56.6 145.6 15.5 -6.9 27.6 +8IRA X 232 THR S . . . . . S + . . . . ? 0.536 81.9 36.8 -93.7 -11.5 13.2 -3.9 28.5 +8IRA X 233 TYR B . . . . . S - BT FR CZ . ? -0.930 91.6 -99.7 -136.4 161.1 10.4 -4.9 26.1 +8IRA X 234 SER . . . > . . . - . . . . ? -0.745 24.9 -174.9 -90.0 112.0 8.9 -8.3 25.1 +8IRA X 235 MET H . . > . . S + . . . . ? 0.850 87.2 55.9 -66.8 -35.9 10.1 -9.6 21.7 +8IRA X 236 VAL H . . > . . S + . . . . ? 0.882 109.8 42.8 -67.7 -42.7 7.7 -12.5 22.0 +8IRA X 237 THR H . . > . . S + . . . . ? 0.865 114.2 53.0 -69.7 -36.6 4.6 -10.3 22.4 +8IRA X 238 ALA H . . X . . S + . . . . ? 0.886 108.5 50.0 -64.7 -40.7 5.9 -7.9 19.7 +8IRA X 239 ASN H . . X . . S + . . . . ? 0.856 111.2 48.2 -66.0 -38.6 6.3 -10.8 17.3 +8IRA X 240 ARG H . . X . . S + . . . . ? 0.947 109.8 52.6 -68.5 -47.6 2.8 -12.1 17.9 +8IRA X 241 PHE H . . X . . S + . . . . ? 0.930 115.5 39.1 -50.1 -54.7 1.2 -8.7 17.5 +8IRA X 242 TRP H . . X > . S + . . . . ? 0.827 112.1 56.8 -71.4 -33.8 2.9 -8.1 14.1 +8IRA X 243 SER H . . X 5 . S + . . . . ? 0.877 114.7 39.2 -62.2 -38.6 2.4 -11.6 12.9 +8IRA X 244 GLN H . . < 5 . S + . . . . ? 0.778 122.9 40.7 -82.2 -32.3 -1.3 -11.3 13.4 +8IRA X 245 ILE H . . < 5 . S + . . . . ? 0.917 135.0 13.9 -79.6 -50.6 -1.7 -7.8 12.2 +8IRA X 246 PHE H . . < 5 . S - . . . . ? 0.519 97.9 -117.2 -111.4 -12.0 0.6 -7.8 9.2 +8IRA X 247 GLY S . . < < . S + . . . . ? -0.243 89.9 52.6 104.3 -43.5 1.2 -11.5 8.6 +8IRA X 248 ILE . . . . . . . + . . . . ? -0.852 61.0 178.9 -121.7 162.1 5.0 -11.5 9.2 +8IRA X 249 ALA . . . . . . . - . . . . ? -0.986 35.8 -92.9 -153.6 156.8 7.2 -10.2 12.0 +8IRA X 250 PHE . . . . . . . + . . . . ? -0.542 34.3 171.3 -66.2 139.1 10.8 -10.0 13.1 +8IRA X 251 SER . . . . . . . + . . . . ? 0.408 64.1 67.4 -118.0 -11.2 11.9 -12.9 15.3 +8IRA X 252 ASN . . . > . . . - . . . . ? -0.941 61.1 -162.3 -119.3 112.1 15.6 -12.0 15.4 +8IRA X 253 LYS H . . > . . S + . . . . ? 0.748 93.4 50.4 -59.2 -30.9 16.7 -8.8 17.2 +8IRA X 254 ARG H . . > . . S + . . . . ? 0.923 110.3 47.7 -77.2 -47.9 20.1 -8.8 15.4 +8IRA X 255 TRP H . . > . . S + . . . . ? 0.896 110.9 55.0 -54.1 -40.8 18.6 -9.2 11.9 +8IRA X 256 LEU H . . X . . S + . . . . ? 0.967 111.5 40.9 -58.3 -55.5 16.2 -6.4 12.8 +8IRA X 257 HIS H . . X . . S + . . . . ? 0.755 115.3 51.9 -72.1 -21.0 18.9 -3.9 13.8 +8IRA X 258 PHE H . > X . . S + . . . . ? 0.927 107.8 51.9 -72.5 -47.9 21.0 -4.9 10.8 +8IRA X 259 PHE H . 3 X . . S + . . . . ? 0.840 104.5 57.5 -52.7 -38.2 18.1 -4.4 8.4 +8IRA X 260 MET H . 3 < . . S + . . . . ? 0.813 110.6 43.6 -63.9 -32.9 17.7 -1.0 9.9 +8IRA X 261 LEU H . < X . . S + . . . . ? 0.949 114.6 50.6 -69.7 -54.1 21.3 -0.2 8.9 +8IRA X 262 PHE H . . X . . S + . . . . ? 0.842 101.6 57.8 -52.4 -49.4 20.9 -1.8 5.5 +8IRA X 263 VAL H . . X . . S + . . . . ? 0.952 112.9 32.0 -62.2 -60.0 17.8 -0.2 4.1 +8IRA X 264 PRO H . . > . . S + . . . . ? 0.855 120.1 53.2 -69.8 -31.3 18.5 3.6 4.2 +8IRA X 265 VAL H . . X . . S + . . . . ? 0.958 110.7 46.6 -63.1 -50.0 22.2 3.1 3.5 +8IRA X 266 THR H . . X . . S + . . . . ? 0.878 111.5 53.0 -60.7 -39.0 21.5 1.0 0.4 +8IRA X 267 GLY H . . X . . S + . . . . ? 0.931 107.6 47.9 -62.1 -51.7 19.0 3.6 -0.8 +8IRA X 268 LEU H . . X . . S + . . . . ? 0.921 111.1 53.6 -56.0 -43.1 21.3 6.6 -0.6 +8IRA X 269 TRP H . . X . . S + . . . . ? 0.873 107.9 50.1 -57.2 -40.9 23.9 4.5 -2.4 +8IRA X 270 MET H . . X . . S + . . . . ? 0.870 109.3 50.6 -69.8 -37.8 21.5 3.7 -5.2 +8IRA X 271 SER H . . X . . S + . . . . ? 0.906 105.2 57.9 -66.4 -39.3 20.5 7.4 -5.7 +8IRA X 272 ALA H . . X . . S + . . . . ? 0.903 103.6 53.3 -53.8 -43.2 24.2 8.3 -5.9 +8IRA X 273 ILE H . . X . . S + . . . . ? 0.892 106.0 52.0 -62.5 -43.2 24.6 6.0 -8.9 +8IRA X 274 GLY H . . X . . S + . . . . ? 0.896 108.2 51.8 -57.1 -42.7 21.7 7.6 -10.7 +8IRA X 275 VAL H . . X . . S + . . . . ? 0.775 102.2 58.9 -68.4 -29.1 23.3 11.0 -10.2 +8IRA X 276 VAL H . . X . . S + . . . . ? 0.897 105.9 51.8 -61.9 -39.0 26.6 9.7 -11.6 +8IRA X 277 GLY H . > < > . S + . . . . ? 0.896 106.3 51.9 -61.7 -41.2 24.5 9.0 -14.7 +8IRA X 278 LEU H . > < 5 . S + . . . . ? 0.749 92.1 74.2 -72.5 -21.7 23.1 12.5 -14.8 +8IRA X 279 ALA H . 3 < 5 . S + . . . . ? 0.850 108.2 35.5 -51.4 -33.9 26.7 13.9 -14.7 +8IRA X 280 LEU T . < < 5 . S - . . . . ? 0.128 119.4 -109.3 -103.5 14.4 26.8 12.7 -18.3 +8IRA X 281 ASN T . < . 5 . . + . . . . ? 0.720 68.8 151.7 53.1 26.8 23.1 13.5 -19.1 +8IRA X 282 LEU . . . . < . . + . . . . ? -0.576 28.3 165.9 -86.1 77.6 22.7 9.8 -19.1 +8IRA X 283 ARG B . . . . . . - BG EM CH . ? -0.496 55.4 -129.8 -95.8 157.1 19.1 10.1 -18.1 +8IRA X 284 SER . . . . . . . + . . . . ? -0.759 59.9 141.3 -94.3 77.7 16.0 8.0 -17.9 +8IRA X 285 TYR . . . . . . . + . . . . ? 0.882 56.0 17.7 -83.8 -46.1 14.2 10.8 -19.7 +8IRA X 286 ASP . . . . . . . - . . . . ? -0.730 54.4 -134.9 -129.1 165.5 11.9 8.8 -22.1 +8IRA X 287 PHE . . > > . . . - . . . . ? -0.966 23.0 -153.5 -116.3 110.0 10.3 5.6 -23.0 +8IRA X 288 ILE H . 3 > . . S + . . . . ? 0.835 91.1 58.1 -54.4 -42.4 10.8 5.1 -26.7 +8IRA X 289 SER H . 3 > . . S + . . . . ? 0.929 107.2 48.9 -55.1 -45.3 7.7 2.9 -27.2 +8IRA X 290 GLN H . < > . . S + . . . . ? 0.842 110.4 50.1 -57.8 -41.0 5.5 5.7 -25.8 +8IRA X 291 GLU H . . X . . S + . . . . ? 0.893 109.1 50.6 -72.7 -39.5 7.0 8.4 -28.0 +8IRA X 292 ILE H . . X . . S + . . . . ? 0.934 114.1 44.9 -62.7 -47.3 6.5 6.4 -31.2 +8IRA X 293 ARG H . . X . . S + . . . . ? 0.962 115.4 48.1 -59.2 -48.6 2.9 5.7 -30.3 +8IRA X 294 ALA H . . < . . S + . . . . ? 0.873 107.8 53.4 -63.9 -43.2 2.3 9.3 -29.3 +8IRA X 295 ALA H . . < . . S + . . . . ? 0.861 119.3 35.3 -58.0 -40.0 3.9 10.9 -32.4 +8IRA X 296 GLU H . . < . . S + . . . . ? 0.701 119.0 51.5 -85.0 -25.1 1.7 8.8 -34.7 +8IRA X 297 ASP . . > < . . . - . . . . ? -0.843 58.4 -171.9 -125.4 91.6 -1.5 8.8 -32.6 +8IRA X 298 PRO T . 3 . . . S + . . . . ? 0.451 86.3 59.1 -66.4 3.0 -2.7 12.2 -31.4 +8IRA X 299 GLU T . 3 . . . S + . . . . ? 0.412 81.0 100.3 -105.3 0.8 -5.4 10.6 -29.2 +8IRA X 300 PHE . . < . . . . + . . . . ? -0.768 46.6 162.1 -89.2 124.8 -2.9 8.6 -27.1 +8IRA X 301 GLU . . . . . . . + . . . . ? -0.990 9.1 170.8 -146.5 132.3 -2.1 10.3 -23.8 +8IRA X 302 THR . . . > . . . - . . . . ? -0.812 52.1 -101.6 -127.6 169.6 -0.6 9.0 -20.6 +8IRA X 303 PHE H . . > . . S + . . . . ? 0.664 123.5 63.1 -62.3 -17.4 0.6 10.5 -17.3 +8IRA X 304 TYR H . . > . . S + . . . . ? 0.936 103.8 42.6 -70.0 -49.5 4.0 10.1 -19.0 +8IRA X 305 THR H . . > . . S + . . . . ? 0.842 112.6 55.4 -66.2 -33.6 3.3 12.4 -21.9 +8IRA X 306 LYS H . . X . . S + . . . . ? 0.943 105.2 51.5 -63.1 -47.6 1.7 14.9 -19.5 +8IRA X 307 ASN H . . X . . S + . . . . ? 0.802 104.7 57.1 -65.0 -28.4 4.8 15.1 -17.3 +8IRA X 308 LEU H . . X . . S + . . . . ? 0.888 102.5 54.4 -67.0 -38.9 7.0 15.8 -20.3 +8IRA X 309 LEU H . . X . . S + . . . . ? 0.907 108.4 50.1 -60.3 -41.0 4.8 18.9 -21.2 +8IRA X 310 LEU H . . X . . S + . . . . ? 0.888 108.7 51.7 -61.0 -42.6 5.5 20.1 -17.7 +8IRA X 311 ASN H . . X . . S + . . . . ? 0.890 107.4 52.8 -62.8 -40.9 9.2 19.5 -18.1 +8IRA X 312 GLU H . . X . . S + . . . . ? 0.843 109.1 49.6 -63.9 -37.5 9.2 21.5 -21.3 +8IRA X 313 GLY H . . X . . S + . . . . ? 0.945 109.3 51.7 -62.9 -49.9 7.5 24.4 -19.5 +8IRA X 314 ILE H . . X . . S + . . . . ? 0.935 112.6 46.3 -51.4 -49.9 10.1 24.3 -16.7 +8IRA X 315 ARG H . . X . . S + . . . . ? 0.909 115.4 43.0 -61.7 -48.8 13.0 24.4 -19.2 +8IRA X 316 ALA H . . < . . S + . . . . ? 0.844 120.1 41.3 -69.6 -34.3 11.7 27.3 -21.4 +8IRA X 317 TRP H . . < . . S + . . . . ? 0.835 122.4 36.5 -87.4 -33.9 10.5 29.5 -18.6 +8IRA X 318 MET H . . X . . S + . . . . ? 0.744 97.0 79.7 -88.6 -21.1 13.4 29.0 -16.2 +8IRA X 319 ALA H . . X . . S + . . . . ? 0.841 87.9 51.3 -67.7 -42.2 16.4 28.8 -18.5 +8IRA X 320 PRO H . . 4 . . S + . . . . ? 0.934 120.0 35.3 -58.5 -47.7 17.1 32.5 -19.3 +8IRA X 321 GLN H . . 4 . . S + . . . . ? 0.779 121.3 47.9 -74.2 -30.6 17.1 33.6 -15.7 +8IRA X 322 ASP H . . < . . S + . . . . ? 0.696 120.9 34.0 -87.2 -24.2 18.8 30.4 -14.4 +8IRA X 323 GLN S . > < . . S + . . . . ? -0.616 70.1 164.0 -126.2 66.1 21.6 30.3 -17.0 +8IRA X 324 PRO G . > . . . . + . . . . ? 0.795 68.5 66.4 -62.5 -29.1 22.3 34.0 -17.6 +8IRA X 325 HIS G . 3 . . . S + . . . . ? 0.617 91.8 63.8 -65.0 -18.3 25.7 33.3 -19.3 +8IRA X 326 GLU G . < . . . S - . . . . ? 0.595 95.6 -142.7 -79.4 -14.6 23.8 31.6 -22.2 +8IRA X 327 ASN . . < . . . . - . . . . ? 0.883 25.6 -170.6 51.5 44.5 22.1 34.9 -23.1 +8IRA X 328 PHE . . . . . . . - . . . . ? -0.473 11.6 -171.0 -65.4 130.2 18.9 33.2 -24.0 +8IRA X 329 VAL . . . . . . . + . . . . ? -0.932 6.6 177.9 -120.7 104.5 16.4 35.5 -25.6 +8IRA X 330 PHE . . . . . . . - . . . . ? -0.910 22.2 -141.0 -105.6 103.3 13.0 33.7 -25.9 +8IRA X 331 PRO . . > > . . . - . . . . ? -0.226 27.9 -106.0 -55.3 155.1 10.4 36.0 -27.5 +8IRA X 332 GLU G . > 4 . . S + . . . . ? 0.899 117.6 61.5 -46.8 -46.6 6.9 35.8 -26.0 +8IRA X 333 GLU G . 3 4 . . S + . . . . ? 0.555 101.2 50.5 -66.7 -11.8 5.7 33.9 -29.1 +8IRA X 334 VAL G . < 4 . . S + . . . . ? 0.536 82.1 108.1 -98.8 -13.8 8.0 30.9 -28.7 +8IRA X 335 LEU S . < < . . S - . . . . ? -0.497 75.7 -120.7 -64.5 130.7 7.2 30.2 -25.0 +8IRA X 336 PRO . . . . . . . + . . . . ? -0.591 44.7 163.2 -74.6 131.2 5.1 27.0 -24.7 +8IRA X 337 ARG . . . . . . . - . . . . ? -0.988 32.4 -134.6 -148.4 138.5 1.8 27.8 -23.1 +8IRA X 338 GLY . . . . . . . - . . . . ? 0.039 60.3 -53.5 -68.8 -165.4 -1.6 25.9 -22.8 +8IRA X 339 ASN S . . . . . S - . . . . ? -0.558 114.2 -12.2 -77.3 136.7 -4.8 27.8 -23.4 +8IRA X 340 ALA . . . . . . . . . . . . ? -0.222 . . 78.4 -50.6 -5.4 31.0 -21.4 +8IRA X 341 LEU . . . . . . . . . . . . ? 0.791 . . -74.0 . -2.6 30.7 -18.8 +8IRA Y 1 GLY . . . . . . . . . . . . ? . . . . -41.0 37.9 16.3 34.4 +8IRA Y 2 GLU P . . . . > . - . . . . ? -0.422 . -105.8 -75.2 151.7 36.4 19.5 33.3 +8IRA Y 3 ARG P . . . . P . - . . . . ? -0.546 46.6 -95.0 -78.4 136.4 34.2 21.6 35.6 +8IRA Y 4 PRO P . . > . < . - . . . . ? -0.196 19.6 -133.1 -57.5 140.1 30.4 21.5 34.9 +8IRA Y 5 PHE H . . > . . S + . . . . ? 0.849 105.7 59.4 -54.2 -41.5 28.7 24.1 32.7 +8IRA Y 6 SER H . . > . . S + . . . . ? 0.855 105.9 48.2 -64.2 -35.6 25.9 24.6 35.2 +8IRA Y 7 ASP H . . 4 . . S + . . . . ? 0.903 115.2 46.6 -63.2 -43.3 28.4 25.5 37.9 +8IRA Y 8 ILE H . > < . . S + . . . . ? 0.954 110.8 47.2 -67.3 -53.2 30.1 28.0 35.5 +8IRA Y 9 ILE H . 3 < . . S + . . . . ? 0.530 113.3 50.4 -74.2 -7.0 27.0 29.8 34.0 +8IRA Y 10 THR T . 3 < . . S + . . . . ? 0.335 91.4 102.6 -104.2 2.8 25.5 30.3 37.5 +8IRA Y 11 SER S . < > . . S - . . . . ? -0.571 73.0 -134.2 -85.8 150.4 28.8 31.8 38.9 +8IRA Y 12 VAL H . . > . . S + . . . . ? 0.887 104.9 58.9 -67.4 -40.1 29.2 35.5 39.5 +8IRA Y 13 ARG H . . > . . S + . . . . ? 0.885 102.0 54.6 -60.2 -41.6 32.7 35.4 37.9 +8IRA Y 14 TYR H . . > . . S + . . . . ? 0.941 112.6 41.9 -53.1 -51.4 31.2 34.1 34.6 +8IRA Y 15 TRP H . . X . . S + . . . . ? 0.811 109.4 57.7 -73.4 -32.8 28.7 37.0 34.4 +8IRA Y 16 VAL H . . < . . S + . . . . ? 0.973 116.3 36.5 -55.9 -54.5 31.2 39.6 35.4 +8IRA Y 17 ILE H . > X . . S + . . . . ? 0.940 121.6 43.9 -61.7 -50.6 33.4 38.6 32.5 +8IRA Y 18 HIS H . 3 X . . S + . . . . ? 0.640 98.5 68.1 -84.4 -16.6 30.7 37.9 30.0 +8IRA Y 19 SER H . 3 < . . S + . . . . ? 0.675 112.2 38.1 -71.9 -18.2 28.5 40.9 30.6 +8IRA Y 20 ILE H . < > . . S + . . . . ? 0.861 118.0 45.2 -87.5 -55.1 31.4 42.9 29.1 +8IRA Y 21 THR H . . X . . S + . . . . ? 0.816 108.6 55.2 -66.9 -34.4 32.6 40.6 26.3 +8IRA Y 22 ILE H . . X . . S + . . . . ? 0.969 112.6 40.4 -67.0 -54.1 29.2 39.7 24.9 +8IRA Y 23 PRO H . . > . . S + . . . . ? 0.893 111.6 58.7 -56.9 -40.6 28.0 43.3 24.3 +8IRA Y 24 ALA H . . X . . S + . . . . ? 0.914 110.5 41.4 -56.3 -45.6 31.5 44.3 23.0 +8IRA Y 25 LEU H . . X . . S + . . . . ? 0.909 114.8 51.7 -66.8 -44.1 31.3 41.7 20.3 +8IRA Y 26 PHE H . . X . . S + . . . . ? 0.945 112.3 45.3 -58.3 -50.5 27.7 42.5 19.5 +8IRA Y 27 ILE H . . X . . S + . . . . ? 0.863 111.0 54.2 -60.0 -39.2 28.5 46.2 19.2 +8IRA Y 28 ALA H . . X . . S + . . . . ? 0.898 109.8 47.2 -63.0 -41.3 31.6 45.3 17.1 +8IRA Y 29 GLY H . . X . . S + . . . . ? 0.880 110.7 52.7 -64.6 -41.0 29.4 43.3 14.7 +8IRA Y 30 TRP H . > X . . S + . . . . ? 0.955 111.1 45.7 -56.8 -53.2 26.8 46.1 14.6 +8IRA Y 31 LEU H . 3 X . . S + . . . . ? 0.821 101.2 66.9 -64.7 -32.2 29.5 48.7 13.6 +8IRA Y 32 PHE H . 3 < . . S + . . . . ? 0.851 115.3 29.9 -54.2 -38.0 31.0 46.3 11.0 +8IRA Y 33 VAL H . X < . . S + . . . . ? 0.920 118.2 53.3 -81.7 -54.5 27.8 46.8 9.0 +8IRA Y 34 SER H . 3 < . . S + . . . . ? 0.725 106.1 52.9 -67.1 -24.7 26.7 50.3 10.0 +8IRA Y 35 THR T . 3 < . . S - . . . . ? 0.577 114.1 -119.5 -78.6 -11.0 30.0 51.9 9.1 +8IRA Y 36 GLY S . X > . . S + . . . . ? 0.423 78.5 126.4 87.0 2.2 29.6 50.2 5.7 +8IRA Y 37 LEU H . 3 > . . . + . . . . ? 0.872 62.5 64.0 -62.6 -37.9 32.8 48.2 6.1 +8IRA Y 38 ALA H . 3 > . . S + . . . . ? 0.864 99.1 54.7 -53.8 -41.1 31.1 44.9 5.4 +8IRA Y 39 TYR H . < > > . S + . . . . ? 0.900 111.1 44.2 -58.2 -43.4 30.3 46.0 1.9 +8IRA Y 40 ASP H . . < 5 . S + . . . . ? 0.863 111.4 51.4 -76.2 -37.0 34.0 46.8 1.1 +8IRA Y 41 VAL H . . < 5 . S + . . . . ? 0.942 122.8 29.1 -62.2 -49.4 35.5 43.7 2.7 +8IRA Y 42 PHE H . . < 5 . S - . . . . ? 0.688 103.6 -121.2 -93.3 -18.8 33.3 41.2 0.8 +8IRA Y 43 GLY T . . < 5 . . + . . . . ? 0.725 53.2 159.2 87.3 25.9 32.6 43.2 -2.4 +8IRA Y 44 THR P . . . < > . - . . . . ? -0.647 42.7 -112.4 -88.5 129.9 28.8 43.2 -1.9 +8IRA Y 45 PRO P . . . . P . - . . . . ? -0.346 22.2 -132.3 -60.6 137.3 26.8 45.9 -3.8 +8IRA Y 46 ARG P . > . . < . - . . . . ? -0.412 41.5 -92.5 -71.4 163.0 25.1 48.6 -1.8 +8IRA Y 47 PRO T . 3 . . . S + . . . . ? 0.764 129.7 48.5 -53.5 -23.8 21.4 49.2 -2.8 +8IRA Y 48 ASP T . 3 . . . S + . . . . ? 0.267 104.3 61.4 -98.7 11.2 22.5 51.9 -5.2 +8IRA Y 49 SER S . < . . . S + . . . . ? 0.145 71.0 88.4 -129.4 22.2 25.4 49.9 -6.8 +8IRA Y 50 TYR S . . . . . S + . . . . ? 0.848 101.3 17.1 -76.6 -39.8 23.7 46.9 -8.5 +8IRA Y 51 TYR S . . . . . S - . . . . ? -0.939 78.2 -111.7 -131.6 153.1 23.2 48.8 -11.7 +8IRA Y 52 ALA . . . . . . . - . . . . ? -0.464 56.6 -91.4 -73.0 160.5 24.4 52.0 -13.4 +8IRA Y 53 GLN S . . . . . S + . . . . ? 0.775 116.6 17.0 -51.9 -42.3 21.6 54.5 -13.6 +8IRA Y 54 GLU S . . . . . S + . . . . ? 0.524 102.1 97.0 -113.8 -10.4 20.0 53.6 -17.0 +8IRA Y 55 GLN . . . . . . . - . . . . ? -0.378 41.8 -174.1 -75.9 158.9 21.4 50.1 -17.8 +8IRA Y 56 ARG . . . . . . . + . . . . ? 0.110 49.9 114.3 -134.5 18.7 19.5 46.9 -17.1 +8IRA Y 57 SER . . . . . . . - . . . . ? -0.731 67.6 -124.4 -89.0 137.7 22.3 44.5 -18.0 +8IRA Y 58 ILE . . . . . . . - . . . . ? -0.641 21.0 -120.9 -82.1 137.2 23.7 42.3 -15.2 +8IRA Y 59 PRO . . . . . . . + . . . . ? -0.473 46.3 179.6 -78.5 72.9 27.5 42.7 -14.8 +8IRA Y 60 LEU . . . . . . . - . . . . ? -0.573 30.9 -121.6 -82.7 134.6 28.2 39.0 -15.4 +8IRA Y 61 VAL . . . . . . . + . . . . ? -0.610 36.1 169.3 -69.3 126.9 31.7 37.6 -15.4 +8IRA Y 62 THR . . . . . . . + . . . . ? 0.377 52.7 63.3 -125.5 0.7 32.3 35.9 -18.7 +8IRA Y 63 ASP . . . . . . . - . . . . ? -0.993 62.4 -149.0 -131.1 139.8 36.1 35.2 -18.8 +8IRA Y 64 ARG S . > . . . S + . . . . ? 0.971 95.6 28.0 -68.5 -57.4 38.0 32.9 -16.5 +8IRA Y 65 PHE T . 3 . . . S + . . . . ? 0.653 125.4 45.7 -89.0 -16.2 41.5 34.5 -16.3 +8IRA Y 66 GLU T . 3 > . . S + . . . . ? 0.182 80.3 106.5 -105.0 12.8 40.3 38.1 -16.9 +8IRA Y 67 ALA H . < > . . S + . . . . ? 0.855 75.0 55.8 -60.9 -39.5 37.4 37.9 -14.4 +8IRA Y 68 LYS H . . > . . S + . . . . ? 0.922 111.2 44.0 -58.4 -46.5 39.2 40.1 -11.8 +8IRA Y 69 GLN H . . > . . S + . . . . ? 0.877 108.8 57.6 -68.4 -40.3 39.6 42.8 -14.4 +8IRA Y 70 GLN H . . X . . S + . . . . ? 0.906 106.7 48.5 -54.1 -45.4 36.0 42.5 -15.7 +8IRA Y 71 VAL H . . X . . S + . . . . ? 0.904 111.3 49.7 -64.2 -42.7 34.7 43.1 -12.1 +8IRA Y 72 GLU H . . X . . S + . . . . ? 0.898 109.1 53.7 -61.3 -41.3 36.9 46.2 -11.7 +8IRA Y 73 THR H . . X . . S + . . . . ? 0.915 109.3 47.0 -59.2 -47.6 35.7 47.4 -15.1 +8IRA Y 74 PHE H . . < . . S + . . . . ? 0.905 110.2 53.0 -61.2 -42.9 32.0 47.2 -14.1 +8IRA Y 75 LEU H . > < . . S + . . . . ? 0.833 105.3 54.9 -64.3 -33.7 32.7 48.9 -10.8 +8IRA Y 76 GLU H . > < . . S + . . . . ? 0.911 96.7 66.5 -57.1 -45.2 34.4 51.8 -12.7 +8IRA Y 77 GLN T . 3 < . . S + . . . . ? 0.271 80.3 77.9 -70.8 12.3 31.2 52.2 -14.7 +8IRA Y 78 LEU T . < . . . . . . . . . ? 0.375 . . -92.7 -2.9 29.3 53.3 -11.6 +8IRA Y 79 LYS . . < . . . . . . . . . ? 0.055 . . 47.4 . 31.1 56.7 -12.1 +8IRA Z 1 ILE . . . . . . . . . . . . ? . . . . 144.8 45.3 28.3 31.2 +8IRA Z 2 PHE . . . . . . . - . . . . ? -0.563 . -136.2 -93.6 148.1 42.5 27.3 28.9 +8IRA Z 3 THR . . . > . . . - . . . . ? -0.376 28.8 -105.8 -93.7 170.9 41.2 23.7 28.1 +8IRA Z 4 VAL H . . > . . S + . . . . ? 0.862 124.1 53.4 -62.6 -38.1 40.2 22.1 24.8 +8IRA Z 5 ARG H . . > . . S + . . . . ? 0.895 106.5 53.0 -60.8 -42.3 36.6 22.5 25.8 +8IRA Z 6 TRP H . . > . . S + . . . . ? 0.927 111.4 45.0 -56.2 -48.7 37.2 26.2 26.4 +8IRA Z 7 VAL H . . X . . S + . . . . ? 0.926 112.1 52.1 -64.8 -46.6 38.6 26.6 22.9 +8IRA Z 8 ALA H . . X . . S + . . . . ? 0.897 113.6 43.5 -56.3 -45.8 35.8 24.6 21.3 +8IRA Z 9 VAL H . > X . . S + . . . . ? 0.932 115.8 46.9 -65.0 -46.7 33.1 26.7 22.9 +8IRA Z 10 HIS H . 3 X . . S + . . . . ? 0.814 103.8 59.8 -76.0 -26.7 34.8 30.0 22.3 +8IRA Z 11 THR H . 3 < . . S + . . . . ? 0.776 117.3 34.0 -70.0 -27.7 35.6 29.4 18.6 +8IRA Z 12 LEU H . < X . . S + . . . . ? 0.865 121.3 47.8 -84.5 -45.7 31.9 28.9 17.9 +8IRA Z 13 ALA H . . X . . S + . . . . ? 0.862 104.8 56.1 -68.8 -41.9 30.6 31.4 20.4 +8IRA Z 14 VAL H . . X . . S + . . . . ? 0.960 112.9 39.5 -61.1 -56.4 32.8 34.4 19.7 +8IRA Z 15 PRO H . . > . . S + . . . . ? 0.890 109.9 62.5 -58.4 -39.1 31.9 34.7 16.0 +8IRA Z 16 THR H . . X . . S + . . . . ? 0.924 106.1 43.4 -53.0 -50.2 28.2 33.9 16.6 +8IRA Z 17 ILE H . . X . . S + . . . . ? 0.909 113.4 51.5 -66.7 -43.5 27.7 37.0 18.8 +8IRA Z 18 PHE H . . X . . S + . . . . ? 0.917 112.5 47.1 -54.5 -46.9 29.6 39.2 16.3 +8IRA Z 19 PHE H . . X . . S + . . . . ? 0.846 108.4 53.8 -66.6 -37.5 27.4 37.9 13.5 +8IRA Z 20 LEU H . . X . . S + . . . . ? 0.855 108.5 50.4 -65.3 -37.4 24.2 38.4 15.4 +8IRA Z 21 GLY H . . X . . S + . . . . ? 0.880 110.9 49.3 -64.7 -40.1 25.1 42.0 16.0 +8IRA Z 22 ALA H . . X . . S + . . . . ? 0.907 113.1 45.8 -64.4 -44.8 25.8 42.4 12.3 +8IRA Z 23 ILE H . . X . . S + . . . . ? 0.889 109.6 55.1 -69.3 -38.6 22.5 40.9 11.3 +8IRA Z 24 ALA H . > < . . S + . . . . ? 0.940 107.4 50.6 -54.4 -48.4 20.7 42.9 13.9 +8IRA Z 25 ALA H . > < . . S + . . . . ? 0.840 101.1 63.4 -58.7 -37.4 22.2 46.1 12.4 +8IRA Z 26 MET H . > < . . S + . . . . ? 0.705 85.5 74.0 -62.5 -23.4 21.0 45.0 8.9 +8IRA Z 27 GLN T . < < . . S + . . . . ? 0.644 96.6 49.9 -68.6 -14.5 17.4 45.2 9.9 +8IRA Z 28 PHE T . < . . . S + . . . . ? 0.320 81.1 117.5 -104.9 6.0 17.5 49.0 9.8 +8IRA Z 29 ILE . . < . . . . - . . . . ? -0.615 46.6 -165.8 -77.0 131.3 19.1 49.3 6.4 +8IRA Z 30 GLN . . . . . . . . . . . . ? -0.765 . . -113.4 158.2 16.9 51.2 3.9 +8IRA Z 31 ARG . . . . . . . . . . . . ? 0.607 . . -94.2 . 17.2 51.4 0.1 +8IRA AA 1 ALA . . . . . . . . . . . . ? . . . . 172.4 52.7 -31.1 1.4 +8IRA AA 2 ARG B . . . . . . - BB EC CC . ? -0.969 . -148.9 -128.1 113.7 54.0 -31.9 -2.1 +8IRA AA 3 ARG . . . . . . . - . . . . ? -0.517 17.6 -177.0 -74.9 144.4 57.4 -30.8 -3.2 +8IRA AA 4 THR . . . > . . . - . . . . ? -0.904 39.6 -109.9 -131.7 166.8 58.0 -30.0 -6.9 +8IRA AA 5 TRP H . . > . . S + . . . . ? 0.958 121.7 43.1 -57.3 -51.5 61.1 -28.9 -8.9 +8IRA AA 6 LEU H . . > . . S + . . . . ? 0.900 110.8 55.7 -66.6 -41.3 59.8 -25.4 -9.3 +8IRA AA 7 GLY H . . > . . S + . . . . ? 0.882 106.6 50.7 -53.3 -43.9 58.6 -25.2 -5.7 +8IRA AA 8 ASP H . . < . . S + . . . . ? 0.880 111.0 48.7 -64.8 -39.9 62.1 -26.0 -4.5 +8IRA AA 9 ILE H . . < . . S + . . . . ? 0.910 116.0 42.1 -63.5 -44.8 63.6 -23.3 -6.7 +8IRA AA 10 LEU H . > < . . S + . . . . ? 0.620 87.1 100.5 -79.8 -12.6 61.0 -20.7 -5.5 +8IRA AA 11 ARG G . > < . . S + . . . . ? 0.804 75.8 54.4 -43.8 -49.8 61.3 -21.7 -1.8 +8IRA AA 12 PRO G . > . . . S + . . . . ? 0.861 99.8 63.1 -57.2 -33.8 63.6 -18.9 -0.6 +8IRA AA 13 LEU G . < . . . S + . . . . ? 0.529 110.6 37.8 -72.5 -7.4 61.3 -16.3 -2.0 +8IRA AA 14 ASN G . < . . . S + . . . . ? -0.311 93.0 91.6 -133.6 55.3 58.5 -17.4 0.4 +8IRA AA 15 SER . . < . . . . + . . . . ? 0.415 66.7 69.1 -126.2 -1.9 60.6 -18.1 3.5 +8IRA AA 16 GLU . . > . . . . + . . . . ? -0.018 61.1 163.5 -114.4 31.8 60.7 -14.9 5.6 +8IRA AA 17 TYR T . 3 . . . S + . . . . ? -0.219 71.5 6.4 -46.9 127.4 57.1 -14.7 6.7 +8IRA AA 18 GLY T . 3 . . . S + . . . . ? 0.341 88.1 141.7 83.6 -5.5 56.7 -12.3 9.6 +8IRA AA 19 LYS . . < . . . . + . . . . ? -0.572 26.7 177.0 -76.1 127.6 60.3 -11.0 9.6 +8IRA AA 20 VAL . . . . . . . - . . . . ? -0.856 33.0 -113.0 -127.3 160.0 60.4 -7.3 10.3 +8IRA AA 21 ALA B . . . . . . - BE EI CF . ? -0.717 52.7 -91.0 -85.4 144.3 63.0 -4.5 10.8 +8IRA AA 22 PRO S . > . . . S - . . . . ? -0.253 76.8 -35.1 -62.1 140.9 63.1 -3.1 14.4 +8IRA AA 23 GLY T . 3 . . . S - . . . . ? -0.205 123.2 -11.6 61.6 -130.6 60.9 -0.1 15.4 +8IRA AA 24 TRP T . > . . . S + . . . . ? 0.606 79.9 171.5 -83.0 -16.5 60.3 2.6 12.8 +8IRA AA 25 GLY T . < . . . S - . . . . ? -0.100 71.4 -9.4 43.3 -125.9 63.0 1.4 10.3 +8IRA AA 26 THR T . 3 > . . S + . . . . ? 0.129 98.9 115.7 -90.1 21.1 62.7 3.3 7.0 +8IRA AA 27 THR H . < > . . S + . . . . ? 0.878 73.3 53.6 -61.4 -41.4 59.4 5.0 7.9 +8IRA AA 28 PRO H . . > . . S + . . . . ? 0.953 111.6 45.7 -57.4 -47.4 61.0 8.6 7.9 +8IRA AA 29 LEU H . . > . . S + . . . . ? 0.926 110.7 53.1 -60.9 -45.3 62.3 8.0 4.4 +8IRA AA 30 MET H . . X . . S + . . . . ? 0.899 105.7 56.0 -54.2 -43.5 58.9 6.6 3.3 +8IRA AA 31 ALA H . . X . . S + . . . . ? 0.880 104.7 51.6 -56.4 -44.8 57.3 9.8 4.7 +8IRA AA 32 VAL H . . X . . S + . . . . ? 0.944 109.6 48.2 -58.5 -52.0 59.5 12.0 2.5 +8IRA AA 33 PHE H . . X . . S + . . . . ? 0.855 110.3 52.5 -60.3 -37.2 58.7 10.1 -0.7 +8IRA AA 34 MET H . . X . . S + . . . . ? 0.907 111.0 48.4 -63.2 -43.1 54.9 10.3 0.2 +8IRA AA 35 GLY H . . X . . S + . . . . ? 0.961 112.0 46.8 -57.7 -57.1 55.3 14.1 0.6 +8IRA AA 36 LEU H . . X . . S + . . . . ? 0.867 111.7 53.5 -50.8 -41.4 57.2 14.5 -2.7 +8IRA AA 37 PHE H . . X . . S + . . . . ? 0.864 105.4 53.0 -68.0 -36.5 54.5 12.3 -4.3 +8IRA AA 38 LEU H . . X . . S + . . . . ? 0.936 109.2 48.6 -61.6 -47.8 51.7 14.5 -3.0 +8IRA AA 39 VAL H . . X . . S + . . . . ? 0.895 110.3 52.9 -58.8 -41.8 53.3 17.7 -4.4 +8IRA AA 40 PHE H . . X . . S + . . . . ? 0.949 109.6 47.1 -59.4 -50.3 53.7 15.8 -7.7 +8IRA AA 41 LEU H . . X . . S + . . . . ? 0.880 110.8 53.0 -59.2 -40.3 50.0 14.9 -7.8 +8IRA AA 42 LEU H . . X . . S + . . . . ? 0.908 109.8 49.2 -59.9 -44.8 49.1 18.5 -6.9 +8IRA AA 43 ILE H . . X . . S + . . . . ? 0.953 113.0 43.5 -59.2 -55.3 51.2 19.8 -9.8 +8IRA AA 44 ILE H . . X . . S + . . . . ? 0.798 115.3 51.4 -67.9 -27.8 49.8 17.5 -12.5 +8IRA AA 45 LEU H . . X . . S + . . . . ? 0.911 110.6 46.7 -68.8 -47.9 46.3 18.1 -11.2 +8IRA AA 46 GLU H . . < > . S + . . . . ? 0.739 110.8 53.6 -73.5 -20.5 46.6 21.9 -11.3 +8IRA AA 47 ILE H . > < 5 . S + . . . . ? 0.940 110.6 45.3 -71.7 -54.4 48.1 21.8 -14.8 +8IRA AA 48 TYR H . 3 < 5 . S + . . . . ? 0.878 116.4 48.8 -52.4 -36.7 45.2 19.8 -16.1 +8IRA AA 49 ASN T . 3 < 5 . S - . . . . ? 0.562 107.7 -123.8 -79.5 -13.9 42.9 22.2 -14.2 +8IRA AA 50 SER T . < . 5 . S + . . . . ? 0.708 84.3 113.1 65.2 23.8 44.5 25.4 -15.5 +8IRA AA 51 THR S . . . < . S + . . . . ? 0.743 80.0 46.0 -83.4 -32.0 45.2 26.6 -12.0 +8IRA AA 52 LEU S . . . . . S - . . . . ? -0.972 77.7 -173.2 -110.7 122.4 48.9 26.2 -12.7 +8IRA AA 53 ILE . . . . . . . - . . . . ? -0.981 3.7 -169.2 -121.9 119.9 49.9 27.7 -16.1 +8IRA AA 54 LEU . . > . . . . - . . . . ? -0.779 32.4 -93.0 -112.0 150.7 53.4 27.1 -17.4 +8IRA AA 55 ASP T . 3 . . . S + . . . . ? -0.406 110.6 5.6 -61.2 130.0 55.3 28.7 -20.4 +8IRA AA 56 GLY T . 3 . . . S + . . . . ? 0.573 99.8 116.1 71.2 11.5 54.9 26.6 -23.5 +8IRA AA 57 VAL . . < . . . . - . . . . ? -0.851 41.4 -179.0 -115.6 94.8 52.4 24.2 -21.9 +8IRA AA 58 ASN . . . . . . . - . . . . ? -0.835 17.8 -151.9 -99.9 103.7 49.1 24.6 -23.7 +8IRA AA 59 VAL . . . . . . . + . . . . ? -0.544 59.6 93.5 -84.3 83.6 46.6 22.3 -22.1 +8IRA AA 60 SER S . > . . . S - . . . . ? -0.966 90.8 -101.9 -162.9 159.2 44.5 21.8 -25.2 +8IRA AA 61 TRP G . > . . . S + . . . . ? 0.813 112.7 79.1 -56.6 -30.7 43.9 19.5 -28.1 +8IRA AA 62 LYS G . 3 . . . S + . . . . ? 0.299 73.5 75.7 -68.6 11.6 45.8 22.2 -30.0 +8IRA AA 63 ALA G . < . . . . . . . . . ? 0.471 . . -91.3 -4.3 49.0 20.8 -28.6 +8IRA AA 64 LEU . . < . . . . . . . . . ? 0.076 . . -82.2 . 48.8 17.9 -31.1 +8IRA AB 1 FME . . . > . . . . . . . . ? . . . . -40.6 -28.4 -1.0 -11.4 +8IRA AB 2 GLU H . . > . . . + . . . . ? 0.927 . 48.1 -66.7 -41.2 -31.4 -1.0 -9.0 +8IRA AB 3 THR H . . > . . S + . . . . ? 0.926 111.9 49.4 -57.5 -48.4 -30.6 -4.6 -8.0 +8IRA AB 4 LEU H . . > . . S + . . . . ? 0.918 110.7 50.9 -57.7 -46.3 -26.9 -3.8 -7.5 +8IRA AB 5 LYS H . . X . . S + . . . . ? 0.948 111.3 46.3 -57.2 -53.5 -27.8 -0.7 -5.4 +8IRA AB 6 ILE H . . X . . S + . . . . ? 0.910 111.8 53.0 -56.1 -47.2 -30.1 -2.7 -3.1 +8IRA AB 7 THR H . . X . . S + . . . . ? 0.938 110.8 45.1 -53.3 -52.0 -27.5 -5.5 -2.8 +8IRA AB 8 VAL H . . X . . S + . . . . ? 0.917 111.3 53.8 -62.5 -43.4 -24.8 -3.0 -1.7 +8IRA AB 9 TYR H . . X . . S + . . . . ? 0.893 112.8 44.1 -55.0 -41.8 -27.1 -1.3 0.7 +8IRA AB 10 ILE H . . X . . S + . . . . ? 0.938 113.8 48.9 -71.2 -49.0 -27.9 -4.6 2.4 +8IRA AB 11 VAL H . . X . . S + . . . . ? 0.931 113.7 46.9 -55.9 -45.7 -24.3 -5.8 2.5 +8IRA AB 12 VAL H . . X . . S + . . . . ? 0.970 111.8 49.8 -63.6 -52.3 -23.1 -2.5 4.0 +8IRA AB 13 THR H . . X . . S + . . . . ? 0.897 109.5 53.6 -49.8 -47.2 -25.9 -2.4 6.6 +8IRA AB 14 PHE H . . X . . S + . . . . ? 0.950 111.0 43.1 -53.7 -55.8 -25.1 -6.0 7.6 +8IRA AB 15 PHE H . . X . . S + . . . . ? 0.854 113.7 51.6 -63.8 -35.8 -21.4 -5.4 8.2 +8IRA AB 16 VAL H . . X . . S + . . . . ? 0.893 107.8 52.0 -68.9 -39.5 -22.1 -2.1 10.1 +8IRA AB 17 LEU H . . X . . S + . . . . ? 0.888 108.6 51.9 -62.8 -39.1 -24.6 -3.8 12.3 +8IRA AB 18 LEU H . . X . . S + . . . . ? 0.881 110.4 48.9 -60.6 -41.9 -22.0 -6.5 13.1 +8IRA AB 19 PHE H . . X . . S + . . . . ? 0.967 115.1 42.6 -61.2 -54.6 -19.5 -3.8 14.0 +8IRA AB 20 VAL H . . X . . S + . . . . ? 0.905 119.1 42.1 -63.8 -45.1 -21.9 -1.9 16.3 +8IRA AB 21 PHE H . . X . . S + . . . . ? 0.829 111.0 59.3 -74.0 -29.7 -23.3 -4.9 18.1 +8IRA AB 22 GLY H . > < . . S + . . . . ? 0.941 109.1 41.7 -60.2 -50.8 -19.9 -6.5 18.3 +8IRA AB 23 PHE H . 3 X . . S + . . . . ? 0.732 111.2 57.5 -71.3 -23.3 -18.5 -3.5 20.3 +8IRA AB 24 LEU H . 3 < . . S + . . . . ? 0.567 85.3 88.5 -77.0 -12.2 -21.7 -3.4 22.4 +8IRA AB 25 SER T . < < . . S - . . . . ? -0.416 121.3 -72.7 -91.7 58.3 -21.2 -7.0 23.4 +8IRA AB 26 GLY T . > > . . S + . . . . ? 0.841 73.1 162.7 64.1 40.3 -19.0 -6.5 26.5 +8IRA AB 27 ASP G . > < . . . + . . . . ? 0.868 66.3 61.6 -63.3 -41.7 -15.9 -5.5 24.6 +8IRA AB 28 PRO G . 3 4 . . S + . . . . ? 0.846 102.8 54.7 -52.4 -32.3 -14.1 -3.8 27.6 +8IRA AB 29 ALA G . < 4 . . S + . . . . ? 0.658 83.5 89.8 -74.7 -20.0 -14.1 -7.3 29.3 +8IRA AB 30 ARG . . < < . . . + . . . . ? -0.485 66.9 102.4 -81.3 69.5 -12.4 -9.0 26.4 +8IRA AB 31 ASN S . . . . . S - . . . . ? -0.933 79.7 -113.6 -145.5 161.3 -8.9 -8.5 27.6 +8IRA AB 32 PRO S . . . . . S + . . . . ? 0.583 99.7 36.1 -81.1 -9.5 -6.4 -10.8 29.4 +8IRA AB 33 LYS S . . . . . S + . . . . ? 0.572 114.6 20.4 -104.8 -107.8 -6.3 -9.0 32.8 +8IRA AB 34 ARG . . . . . . . - . . . . ? -0.588 60.9 -172.0 -74.6 118.5 -9.2 -7.4 34.6 +8IRA AB 35 LYS . . . . . . . + . . . . ? -0.417 60.5 70.3 -112.8 54.0 -12.5 -8.8 33.1 +8IRA AB 36 ASP . . . . . . . + . . . . ? -0.491 46.0 157.0 -165.6 90.1 -15.2 -6.7 34.6 +8IRA AB 37 LEU . . . . . . . . . . . . ? -0.615 . . -124.0 71.8 -15.5 -3.0 33.4 +8IRA AB 38 GLU . . . . . . . . . . . . ? -0.781 . . -140.3 . -19.0 -1.7 34.0 +8IRA AC 1 MET . . . . . . . . . . . . ? . . . . 144.7 34.2 34.4 42.6 +8IRA AC 2 SER . . . . . . . + . . . . ? 0.164 . 138.1 -80.5 16.1 34.3 31.1 40.8 +8IRA AC 3 GLU . . > . . . . - . . . . ? -0.506 49.3 -134.4 -79.1 124.4 31.6 29.6 43.0 +8IRA AC 4 GLY T . 3 . . . S + . . . . ? -0.580 81.6 32.4 -80.2 131.8 28.9 27.6 41.2 +8IRA AC 5 GLY T . 3 . . . S + . . . . ? 0.258 73.6 117.3 114.6 -8.6 25.2 28.2 42.2 +8IRA AC 6 ARG S . < . . . S + . . . . ? 0.895 76.0 48.0 -60.9 -45.9 25.2 31.9 43.1 +8IRA AC 7 ILE S . . . . . S - . . . . ? -0.874 100.1 -115.5 -98.3 117.7 22.8 32.9 40.3 +8IRA AC 8 PRO . . > > . . . - . . . . ? -0.186 16.6 -131.2 -56.3 139.4 19.7 30.5 40.2 +8IRA AC 9 LEU H . 3 > . . S + . . . . ? 0.796 103.8 60.0 -63.3 -32.2 19.5 28.5 37.0 +8IRA AC 10 TRP H . 3 > . . S + . . . . ? 0.825 105.4 48.5 -67.9 -30.8 15.8 29.4 36.4 +8IRA AC 11 ILE H . < > . . S + . . . . ? 0.899 111.0 50.9 -72.8 -40.9 16.6 33.1 36.3 +8IRA AC 12 VAL H . . X . . S + . . . . ? 0.940 112.0 46.8 -58.1 -51.0 19.5 32.4 33.8 +8IRA AC 13 ALA H . . X . . S + . . . . ? 0.867 113.2 49.2 -59.7 -40.0 17.2 30.4 31.6 +8IRA AC 14 THR H . . X . . S + . . . . ? 0.902 114.1 44.2 -69.7 -43.2 14.5 33.1 31.7 +8IRA AC 15 VAL H . . X . . S + . . . . ? 0.904 115.6 47.9 -66.2 -45.3 16.8 35.9 30.9 +8IRA AC 16 ALA H . . X . . S + . . . . ? 0.909 111.9 51.1 -59.7 -45.0 18.6 34.0 28.1 +8IRA AC 17 GLY H . . X . . S + . . . . ? 0.920 109.7 47.9 -58.7 -48.5 15.2 33.0 26.7 +8IRA AC 18 MET H . . X . . S + . . . . ? 0.890 108.3 57.1 -61.9 -40.1 13.9 36.5 26.6 +8IRA AC 19 GLY H . . X . . S + . . . . ? 0.928 107.0 48.0 -52.2 -50.9 17.1 37.6 24.9 +8IRA AC 20 VAL H . . X . . S + . . . . ? 0.876 109.5 53.0 -58.1 -41.8 16.5 35.1 22.1 +8IRA AC 21 ILE H . . X . . S + . . . . ? 0.892 108.1 50.8 -63.6 -40.4 12.9 36.2 21.7 +8IRA AC 22 VAL H . . X . . S + . . . . ? 0.918 112.9 44.3 -63.8 -43.7 14.0 39.9 21.3 +8IRA AC 23 ILE H . . X . . S + . . . . ? 0.921 116.3 45.9 -71.9 -41.8 16.6 39.1 18.6 +8IRA AC 24 VAL H . . X . . S + . . . . ? 0.919 110.5 54.2 -63.1 -46.0 14.3 36.8 16.7 +8IRA AC 25 GLY H . . X . . S + . . . . ? 0.865 105.7 54.3 -52.9 -39.4 11.5 39.3 16.9 +8IRA AC 26 LEU H . . X . . S + . . . . ? 0.845 105.8 51.8 -65.2 -36.6 13.8 41.9 15.4 +8IRA AC 27 PHE H . . < . . S + . . . . ? 0.849 110.1 47.9 -70.7 -37.5 14.6 39.7 12.4 +8IRA AC 28 PHE H . > < . . S + . . . . ? 0.888 108.8 55.2 -67.0 -41.2 10.8 39.2 11.7 +8IRA AC 29 TYR H . > < . . S + . . . . ? 0.928 103.9 55.7 -51.0 -45.9 10.4 42.9 12.1 +8IRA AC 30 GLY T . 3 < . . S + . . . . ? 0.621 93.1 68.4 -69.8 -14.8 13.1 43.3 9.4 +8IRA AC 31 ALA T . < . . . S + . . . . ? 0.616 106.7 41.4 -70.6 -17.9 11.1 41.1 7.0 +8IRA AC 32 TYR S . < . . . S + . . . . ? 0.308 116.2 51.9 -112.4 4.3 8.5 43.9 6.8 +8IRA AC 33 ALA S . . . . . S - . . . . ? -0.993 100.5 -15.0 -146.3 149.4 10.9 46.9 6.7 +8IRA AC 34 GLY S . > . . . S + . . . . ? -0.227 112.4 17.8 63.4 -147.6 13.9 48.1 4.7 +8IRA AC 35 LEU T . 3 . . . S + . . . . ? -0.204 129.6 20.0 -51.3 140.3 15.8 45.6 2.5 +8IRA AC 36 GLY T . 3 . . . S + . . . . ? 0.497 91.0 106.9 80.9 8.3 13.8 42.5 1.6 +8IRA AC 37 SER S . < . . . S - . . . . ? 0.510 83.1 -125.4 -95.2 -7.6 10.4 43.9 2.4 +8IRA AC 38 SER . . . . . . . . . . . . ? 0.219 . . 80.8 -10.6 9.2 44.2 -1.2 +8IRA AC 39 LEU . . . . . . . . . . . . ? -0.540 . . -98.3 . 8.5 47.9 -0.6 +8IRA AD 1 LYS . . . . . . . . . . . . ? . . . . 163.1 -10.5 52.8 15.1 +8IRA AD 2 LEU . . . . . . . - . . . . ? -0.506 . -81.6 -71.4 153.7 -11.3 52.9 18.8 +8IRA AD 3 PRO . . > . . . . - . . . . ? -0.275 47.9 -107.1 -52.3 151.4 -13.6 55.8 19.8 +8IRA AD 4 GLU G . > . . . S + . . . . ? 0.820 116.3 62.2 -55.8 -37.4 -11.6 59.0 20.1 +8IRA AD 5 ALA G . 3 . . . S + . . . . ? 0.762 107.8 42.8 -60.3 -30.5 -11.8 59.0 23.9 +8IRA AD 6 TYR G . X . . . S + . . . . ? 0.380 82.0 108.1 -94.6 0.6 -9.9 55.7 24.2 +8IRA AD 7 ALA G . X . . . . + . . . . ? 0.686 68.2 63.1 -59.0 -25.2 -7.3 56.6 21.6 +8IRA AD 8 ILE G . 3 . . . S + . . . . ? 0.726 100.0 55.0 -73.1 -21.2 -4.4 57.0 24.1 +8IRA AD 9 PHE G . X > . . S + . . . . ? 0.332 76.5 105.5 -89.6 5.6 -4.8 53.3 25.0 +8IRA AD 10 ASP H . < > . . S + . . . . ? 0.875 76.5 52.1 -56.5 -45.0 -4.3 52.3 21.4 +8IRA AD 11 PRO H . 3 4 . . S + . . . . ? 0.772 110.7 49.5 -63.1 -26.4 -0.7 51.0 21.9 +8IRA AD 12 LEU H . X > . . S + . . . . ? 0.898 107.9 52.3 -74.7 -43.8 -1.9 48.9 24.9 +8IRA AD 13 VAL H . 3 < . . S + . . . . ? 0.845 103.0 60.8 -59.8 -35.3 -4.8 47.4 22.8 +8IRA AD 14 ASP T . 3 < . . S + . . . . ? 0.725 110.8 39.3 -61.7 -26.3 -2.2 46.4 20.1 +8IRA AD 15 VAL T . X 4 . . S + . . . . ? 0.656 92.2 84.9 -100.3 -19.6 -0.4 44.2 22.6 +8IRA AD 16 LEU G . > < . . S + . . . . ? 0.839 77.8 65.6 -57.5 -42.5 -3.2 42.6 24.6 +8IRA AD 17 PRO G . 3 . . . S + . . . . ? 0.767 96.8 58.4 -52.9 -28.2 -3.9 39.7 22.2 +8IRA AD 18 VAL G . X > . . S + . . . . ? 0.713 80.0 88.4 -72.3 -24.0 -0.5 38.2 22.9 +8IRA AD 19 ILE H . X > . . S + . . . . ? 0.788 79.0 60.4 -55.5 -37.4 -1.0 37.8 26.7 +8IRA AD 20 PRO H . > > . . S + . . . . ? 0.889 102.2 54.3 -54.4 -39.4 -2.6 34.3 26.5 +8IRA AD 21 VAL H . < > . . S + . . . . ? 0.818 100.4 61.3 -61.6 -33.0 0.6 33.0 25.0 +8IRA AD 22 LEU H . < X . . S + . . . . ? 0.795 95.6 60.7 -66.9 -28.7 2.5 34.4 27.9 +8IRA AD 23 PHE H . < X . . S + . . . . ? 0.879 104.1 48.9 -64.5 -39.7 0.6 32.1 30.3 +8IRA AD 24 LEU H . . X . . S + . . . . ? 0.911 113.1 47.2 -64.6 -44.1 2.0 29.1 28.5 +8IRA AD 25 ALA H . > X . . S + . . . . ? 0.864 106.2 59.1 -63.2 -37.3 5.5 30.5 28.7 +8IRA AD 26 LEU H . 3 X . . S + . . . . ? 0.831 94.5 64.7 -62.2 -33.4 5.0 31.3 32.4 +8IRA AD 27 ALA H . 3 X . . S + . . . . ? 0.872 103.6 47.5 -56.9 -38.1 4.3 27.6 33.1 +8IRA AD 28 PHE H . < X . . S + . . . . ? 0.850 109.7 51.3 -73.6 -36.4 7.9 26.9 32.1 +8IRA AD 29 VAL H . . X . . S + . . . . ? 0.939 113.5 46.9 -60.4 -49.3 9.3 29.8 34.3 +8IRA AD 30 TRP H . . X . . S + . . . . ? 0.934 112.5 47.6 -56.8 -50.9 7.3 28.4 37.2 +8IRA AD 31 GLN H . . < > . S + . . . . ? 0.829 109.7 53.6 -64.9 -32.9 8.4 24.8 36.6 +8IRA AD 32 ALA H . > < 5 . S + . . . . ? 0.869 104.9 56.1 -66.5 -36.2 12.1 25.8 36.3 +8IRA AD 33 ALA H . 3 < 5 . S + . . . . ? 0.755 111.4 42.0 -66.7 -28.0 11.8 27.6 39.6 +8IRA AD 34 VAL T . > < 5 . S - . . . . ? 0.154 119.0 -108.2 -107.9 18.3 10.7 24.4 41.4 +8IRA AD 35 GLY T . < . 5 . . - . . . . ? 0.615 54.0 -80.0 76.7 17.7 13.2 22.2 39.5 +8IRA AD 36 PHE T . 3 . < . . . . . . . ? 0.875 . . 53.2 41.9 10.8 20.4 37.2 +8IRA AD 37 ARG . . < . . . . . . . . . ? -0.248 . . -69.3 . 10.0 18.1 40.2 +8IRA AE 1 GLU . . . . . . . . . . . . ? . . . . 130.6 44.3 -34.8 -1.3 +8IRA AE 2 PRO . . . . . . . - . . . . ? -0.574 . -130.8 -73.9 122.1 41.2 -33.9 0.8 +8IRA AE 3 ASN . . > . . . . - . . . . ? -0.579 11.3 -157.4 -79.6 124.1 41.1 -30.2 1.3 +8IRA AE 4 PRO T . 3 . . . S + . . . . ? 0.541 82.1 73.1 -77.2 -5.5 40.5 -29.2 5.0 +8IRA AE 5 ASN T . 3 . . . . + . . . . ? 0.434 66.6 120.6 -92.4 -2.3 39.1 -25.7 4.2 +8IRA AE 6 ARG . . < . . . . - . . . . ? -0.308 38.9 -179.2 -58.3 148.2 35.8 -26.9 2.9 +8IRA AE 7 GLN . . . . . . . - . . . . ? -0.983 29.5 -106.7 -148.0 141.9 32.7 -25.6 4.7 +8IRA AE 8 PRO . . . . . . . - . . . . ? -0.474 31.3 -139.8 -69.4 144.8 28.9 -26.2 4.3 +8IRA AE 9 VAL B . . . . . . - AY DW BZ . ? -0.820 19.5 -168.0 -102.7 146.5 26.8 -23.4 2.8 +8IRA AE 10 GLU . . . . . . . + . . . . ? -0.957 21.2 178.9 -134.2 151.3 23.4 -22.5 4.1 +8IRA AE 11 LEU . . . . . . . - . . . . ? -0.847 25.1 -147.6 -144.7 113.3 20.4 -20.4 3.1 +8IRA AE 12 ASN . . . > . . . - . . . . ? -0.220 27.9 -103.1 -76.2 172.3 17.4 -20.5 5.5 +8IRA AE 13 ARG H . . > . . S + . . . . ? 0.850 119.5 53.4 -67.5 -38.6 13.8 -20.2 4.4 +8IRA AE 14 THR H . . > . . S + . . . . ? 0.921 108.6 51.6 -61.3 -42.6 13.3 -16.6 5.5 +8IRA AE 15 SER H . . > . . S + . . . . ? 0.872 107.9 51.8 -63.1 -39.8 16.4 -15.7 3.4 +8IRA AE 16 LEU H . . X . . S + . . . . ? 0.940 112.1 46.2 -57.7 -49.9 14.9 -17.4 0.4 +8IRA AE 17 TYR H . . X . . S + . . . . ? 0.921 114.5 46.7 -60.8 -47.6 11.7 -15.5 0.8 +8IRA AE 18 LEU H . . X . . S + . . . . ? 0.912 115.0 48.6 -58.4 -43.3 13.5 -12.2 1.3 +8IRA AE 19 GLY H . . X . . S + . . . . ? 0.942 111.0 47.4 -64.9 -50.1 15.7 -13.0 -1.7 +8IRA AE 20 LEU H . . X . . S + . . . . ? 0.894 111.4 52.9 -61.1 -38.1 12.9 -13.9 -4.0 +8IRA AE 21 LEU H . . X . . S + . . . . ? 0.937 109.3 48.4 -61.3 -48.0 11.0 -10.8 -3.0 +8IRA AE 22 LEU H . . X . . S + . . . . ? 0.938 114.7 44.7 -55.4 -52.0 14.0 -8.6 -3.9 +8IRA AE 23 ILE H . . X . . S + . . . . ? 0.946 114.8 47.6 -60.8 -50.4 14.6 -10.2 -7.3 +8IRA AE 24 LEU H . . X . . S + . . . . ? 0.924 115.5 45.0 -58.8 -45.9 10.9 -10.2 -8.2 +8IRA AE 25 VAL H . . X . . S + . . . . ? 0.913 111.6 51.5 -67.2 -43.7 10.5 -6.5 -7.1 +8IRA AE 26 LEU H . . X . . S + . . . . ? 0.908 112.0 48.5 -56.3 -43.4 13.7 -5.4 -8.9 +8IRA AE 27 ALA H . . X . . S + . . . . ? 0.842 109.5 51.3 -65.9 -35.1 12.5 -7.1 -12.0 +8IRA AE 28 LEU H . . < . . S + . . . . ? 0.867 114.2 46.1 -68.9 -33.7 9.1 -5.4 -11.7 +8IRA AE 29 LEU H . . < . . S + . . . . ? 0.896 120.5 34.9 -74.6 -41.5 10.9 -2.1 -11.3 +8IRA AE 30 PHE H . > X . . S + . . . . ? 0.681 95.3 84.4 -89.4 -19.7 13.3 -2.5 -14.2 +8IRA AE 31 SER H . 3 X . . S + . . . . ? 0.871 87.7 54.4 -53.9 -42.1 11.2 -4.4 -16.7 +8IRA AE 32 SER H . 3 > . . S + . . . . ? 0.868 108.7 48.8 -61.1 -37.0 9.6 -1.3 -18.1 +8IRA AE 33 TYR H . < 4 . . S + . . . . ? 0.871 108.4 54.0 -73.8 -32.9 13.0 0.2 -18.8 +8IRA AE 34 PHE H . . < . . S + . . . . ? 0.880 114.4 40.2 -65.9 -42.0 14.1 -3.0 -20.6 +8IRA AE 35 PHE H . . < . . . . . . . . ? 0.779 . . -71.8 -31.0 11.1 -2.9 -22.9 +8IRA AE 36 ASN . . . < . . . . . . . . ? 0.908 . . 49.9 . 11.5 0.8 -23.2 +8IRA AF 1 FME . . . . . . . . . . . . ? . . . . 131.0 3.7 -0.8 -28.9 +8IRA AF 2 GLU . . . . . . . + . . . . ? -0.637 . 165.6 -79.2 82.4 7.1 -1.0 -30.5 +8IRA AF 3 VAL . . . . . . . - . . . . ? -0.329 48.6 -84.3 -80.5 172.2 9.0 -2.1 -27.4 +8IRA AF 4 ASN . . > . . . . - . . . . ? -0.723 34.2 -148.5 -78.6 124.6 12.5 -3.6 -27.4 +8IRA AF 5 GLN T . > > . . S + . . . . ? 0.843 95.0 61.0 -63.5 -39.5 12.3 -7.3 -28.2 +8IRA AF 6 LEU H . 3 > . . S + . . . . ? 0.626 84.2 83.7 -65.1 -14.2 15.3 -8.2 -26.1 +8IRA AF 7 GLY H . < > . . S + . . . . ? 0.831 86.5 54.8 -54.6 -34.3 13.4 -6.8 -23.1 +8IRA AF 8 LEU H . < > . . S + . . . . ? 0.960 112.3 38.5 -68.7 -52.2 11.6 -10.1 -22.8 +8IRA AF 9 ILE H . . X . . S + . . . . ? 0.903 115.7 55.0 -67.3 -38.2 14.6 -12.4 -22.5 +8IRA AF 10 ALA H . . X . . S + . . . . ? 0.933 112.0 42.6 -56.3 -50.8 16.4 -9.7 -20.4 +8IRA AF 11 THR H . . X . . S + . . . . ? 0.920 114.1 52.9 -61.0 -44.8 13.5 -9.7 -17.9 +8IRA AF 12 ALA H . . X . . S + . . . . ? 0.914 113.0 40.8 -60.9 -48.9 13.2 -13.5 -17.9 +8IRA AF 13 LEU H . . X . . S + . . . . ? 0.907 110.6 59.1 -67.6 -40.1 16.9 -14.2 -17.2 +8IRA AF 14 PHE H . . < . . S + . . . . ? 0.879 115.7 35.8 -55.1 -42.5 17.0 -11.4 -14.6 +8IRA AF 15 VAL H . . X . . S + . . . . ? 0.967 122.4 43.2 -70.0 -55.4 14.2 -13.2 -12.7 +8IRA AF 16 LEU H . . X . . S + . . . . ? 0.885 106.8 54.1 -65.6 -48.3 15.3 -16.8 -13.4 +8IRA AF 17 VAL H . . X . . S + . . . . ? 0.951 116.3 35.5 -58.7 -56.7 19.0 -16.8 -12.9 +8IRA AF 18 PRO H . . > . . S + . . . . ? 0.886 116.9 54.4 -65.1 -37.4 19.1 -15.3 -9.3 +8IRA AF 19 SER H . . X . . S + . . . . ? 0.938 109.3 47.5 -60.3 -47.2 15.9 -17.0 -8.2 +8IRA AF 20 VAL H . . X . . S + . . . . ? 0.866 106.7 58.0 -62.8 -38.9 17.3 -20.4 -9.2 +8IRA AF 21 PHE H . . X . . S + . . . . ? 0.950 108.9 45.4 -51.0 -52.6 20.5 -19.7 -7.4 +8IRA AF 22 LEU H . . X . . S + . . . . ? 0.869 111.1 52.8 -63.3 -36.5 18.6 -19.1 -4.1 +8IRA AF 23 ILE H . . X . . S + . . . . ? 0.916 108.0 50.7 -67.4 -43.6 16.4 -22.2 -4.7 +8IRA AF 24 ILE H . . X . . S + . . . . ? 0.960 113.8 45.0 -52.9 -52.4 19.5 -24.4 -5.1 +8IRA AF 25 LEU H . . X . . S + . . . . ? 0.895 114.9 48.0 -64.0 -41.4 21.0 -23.0 -1.9 +8IRA AF 26 TYR H . > X . . S + . . . . ? 0.953 111.9 47.5 -62.4 -51.6 17.8 -23.4 0.0 +8IRA AF 27 VAL H . 3 X . . S + . . . . ? 0.890 111.3 50.1 -63.2 -40.2 17.0 -26.9 -1.0 +8IRA AF 28 GLN H . 3 < . . S + . . . . ? 0.729 108.6 54.5 -73.0 -20.2 20.5 -28.2 -0.3 +8IRA AF 29 THR H . X < . . S + . . . . ? 0.929 108.0 48.6 -69.9 -49.3 20.3 -26.6 3.2 +8IRA AF 30 GLU H . 3 < . . S + . . . . ? 0.863 107.6 55.2 -56.3 -41.5 17.1 -28.4 4.0 +8IRA AF 31 SER T . 3 < . . S + . . . . ? 0.539 83.0 107.5 -75.9 -7.7 18.5 -31.8 2.8 +8IRA AF 32 GLN S . < . . . S - . . . . ? -0.476 91.5 -79.9 -68.8 147.0 21.4 -31.4 5.2 +8IRA AF 33 GLN . . . . . . . . . . . . ? -0.300 . . -66.6 123.8 21.1 -33.8 8.2 +8IRA AF 34 LYS . . . . . . . . . . . . ? -0.472 . . 66.3 . 18.7 -32.7 10.9 +8IRA AG 1 THR . . . . . . . . . . . . ? . . . . 166.7 -44.3 24.8 -13.9 +8IRA AG 2 LEU . . . . . . . - . . . . ? -0.664 . -139.6 -116.3 156.9 -41.1 24.2 -12.1 +8IRA AG 3 THR . . > > . . . - . . . . ? -0.684 39.0 -99.2 -105.0 169.3 -38.2 26.0 -10.5 +8IRA AG 4 TYR H . 3 > . . S + . . . . ? 0.850 123.1 55.8 -53.1 -43.3 -34.5 25.2 -10.7 +8IRA AG 5 ASP H . 3 4 . . S + . . . . ? 0.814 106.1 51.4 -65.3 -31.1 -34.6 23.6 -7.2 +8IRA AG 6 ASP H . < 4 . . S + . . . . ? 0.866 120.7 34.1 -65.4 -38.6 -37.4 21.3 -8.5 +8IRA AG 7 ILE H . > < . . S + . . . . ? 0.780 85.2 115.8 -88.7 -31.8 -35.3 20.2 -11.5 +8IRA AG 8 VAL T . 3 < . . S + . . . . ? -0.100 88.5 3.9 -55.7 133.3 -31.7 20.2 -10.3 +8IRA AG 9 GLY T . 3 . . . S + . . . . ? 0.238 105.4 97.7 85.4 -14.0 -30.0 16.8 -10.3 +8IRA AG 10 THR S . < . . . S - . . . . ? 0.758 89.5 -119.6 -83.4 -28.4 -32.9 15.0 -11.9 +8IRA AG 11 GLY S . > . . . S + . . . . ? 0.236 86.3 110.5 101.9 -12.8 -31.9 14.9 -15.6 +8IRA AG 12 LEU G . > . . . . + . . . . ? 0.784 63.3 72.9 -63.8 -28.4 -35.0 17.0 -16.7 +8IRA AG 13 ALA G . 3 . . . S + . . . . ? 0.747 96.5 50.7 -57.9 -25.5 -32.7 19.9 -17.5 +8IRA AG 14 ASN G . < . . . S + . . . . ? 0.205 96.5 89.5 -95.8 12.9 -31.5 17.9 -20.5 +8IRA AG 15 LYS S . < . . . S - . . . . ? -0.882 71.4 -131.9 -110.5 144.3 -35.1 17.2 -21.8 +8IRA AG 16 CYS . 2 . . . . . - . . . . ? -0.544 37.1 -92.3 -84.0 153.1 -37.2 19.4 -24.1 +8IRA AG 17 PRO . . . . . . . - . . . . ? -0.212 39.6 -146.4 -54.9 155.9 -40.8 20.3 -23.3 +8IRA AG 18 THR . . . . . . . - . . . . ? -0.891 1.5 -139.3 -118.8 160.6 -43.6 18.0 -24.6 +8IRA AG 19 LEU . . . . . . . - . . . . ? -0.759 30.5 -102.4 -107.8 160.2 -47.1 18.9 -25.7 +8IRA AG 20 ASP . . > . . . . - . . . . ? -0.256 29.5 -108.4 -71.5 168.0 -50.1 16.7 -24.9 +8IRA AG 21 ASP T . 3 . . . S + . . . . ? 0.609 117.1 71.6 -67.3 -14.8 -51.8 14.3 -27.4 +8IRA AG 22 THR T . 3 . . . S + . . . . ? 0.834 74.6 91.8 -66.3 -33.5 -54.6 16.9 -27.4 +8IRA AG 23 ALA . . < . . . . + . . . . ? -0.451 40.6 119.9 -70.4 82.7 -52.3 19.2 -29.4 +8IRA AG 24 ARG B . . . . . . + H P I . ? 0.148 47.0 116.1 -122.4 14.4 -53.3 18.3 -33.0 +8IRA AG 25 GLY . . . . . . . - . . . . ? 0.401 62.6 -103.2 -73.7 -154.9 -54.5 21.8 -34.0 +8IRA AG 26 ALA . . . . . . . - . . . . ? -1.000 11.8 -147.1 -144.0 133.5 -53.2 24.3 -36.5 +8IRA AG 27 TYR E . . . . . . - I Z S . ? -0.879 26.7 -132.8 -106.8 105.4 -51.2 27.6 -36.2 +8IRA AG 28 PRO E . . . . . . - I Z S . ? -0.294 11.8 -147.2 -64.2 131.7 -52.3 30.1 -38.9 +8IRA AG 29 ILE . . . . . . . - . . . . ? -0.897 3.7 -155.6 -97.3 122.2 -49.5 31.9 -40.8 +8IRA AG 30 ASP . . > . . . . - . . . . ? -0.890 5.7 -153.9 -97.2 108.8 -50.3 35.5 -41.8 +8IRA AG 31 SER T . 3 . . . S + . . . . ? 0.597 91.3 62.3 -60.5 -15.7 -48.1 36.2 -44.9 +8IRA AG 32 SER T . 3 . . . S + . . . . ? 0.446 97.7 72.2 -86.7 -2.6 -48.2 40.0 -44.0 +8IRA AG 33 GLN S . < . . . S - . . . . ? -0.769 76.7 -125.1 -115.8 156.1 -46.4 39.4 -40.7 +8IRA AG 34 THR . . . . . . . - . . . . ? -0.895 29.6 -160.1 -97.8 131.0 -42.9 38.5 -39.6 +8IRA AG 35 TYR E . . . . . . - H Q J K ? -0.739 4.6 -157.2 -112.2 158.1 -42.6 35.5 -37.3 +8IRA AG 36 ARG E . . . . . . - H Q J K ? -0.993 20.1 -135.6 -136.3 136.6 -39.9 34.3 -34.9 +8IRA AG 37 ILE E . . . . . . - H Q J K ? -0.869 25.8 -175.7 -86.0 106.4 -38.9 30.9 -33.4 +8IRA AG 38 ALA E . . . . . . + H Q . . ? 0.798 69.0 13.8 -77.0 -33.4 -38.4 32.1 -29.8 +8IRA AG 39 ARG E . . . . . . - H Q . K ? -0.931 61.1 -178.3 -148.5 119.8 -37.2 28.7 -28.5 +8IRA AG 40 LEU E . . . . . . - H Q J K ? -0.993 11.2 -174.8 -118.7 129.2 -36.0 25.6 -30.5 +8IRA AG 41 CYS E 2 . . . . . - H Q . K ? -0.983 7.6 -170.7 -129.2 127.6 -35.0 22.5 -28.5 +8IRA AG 42 LEU E . . . . . . - H Q J K ? -0.989 1.2 -173.8 -123.8 123.7 -33.5 19.3 -29.8 +8IRA AG 43 GLN E . . . . . . - H Q . K ? -0.943 16.4 -144.9 -118.4 108.1 -33.1 16.2 -27.6 +8IRA AG 44 PRO E . . . . . . + H Q . K ? -0.455 21.7 173.8 -70.0 144.7 -31.3 13.3 -29.1 +8IRA AG 45 THR E . . . . . . + H Q . . ? 0.529 66.5 29.6 -120.3 -23.9 -32.5 9.8 -28.1 +8IRA AG 46 THR E . . . . . . - H Q . K ? -0.999 57.5 -161.4 -141.1 139.3 -30.5 7.6 -30.4 +8IRA AG 47 PHE E . . . . . . - H Q . K ? -0.984 13.8 -173.5 -119.6 121.7 -27.0 7.8 -32.0 +8IRA AG 48 LEU E . . . . . . - H Q L K ? -0.940 6.9 -159.2 -115.9 136.3 -26.3 5.5 -34.9 +8IRA AG 49 VAL E . . . . . . - H Q L K ? -0.959 18.3 -128.3 -114.2 132.8 -22.9 5.2 -36.6 +8IRA AG 50 LYS E . . . . > . - H Q L . ? -0.643 24.5 -141.7 -74.6 127.4 -22.4 3.8 -40.1 +8IRA AG 51 GLU P . . . . P . - . . . . ? -0.731 14.4 -120.0 -91.5 144.5 -19.9 1.0 -40.2 +8IRA AG 52 GLU P . . . . P . - . . . . ? -0.744 22.6 -137.9 -81.8 118.0 -17.4 0.7 -43.1 +8IRA AG 53 PRO P . . . . < . - . . . . ? -0.387 8.7 -135.6 -67.4 154.7 -17.6 -2.5 -45.2 +8IRA AG 54 LYS S . . . . . S + . . . . ? 0.860 102.6 45.3 -77.1 -37.3 -14.3 -4.1 -46.2 +8IRA AG 55 ASN S . . . . . S - . . . . ? 0.622 89.6 -146.9 -83.1 -19.0 -15.4 -4.9 -49.8 +8IRA AG 56 LYS S . . . . . S + . . . . ? -0.132 88.4 76.0 75.6 -38.0 -17.0 -1.5 -50.5 +8IRA AG 57 ARG S . . . . . S + . . . . ? 0.629 76.2 88.7 -84.1 -14.8 -19.6 -3.1 -52.8 +8IRA AG 58 GLN S . . . . > S - . . . . ? -0.627 93.0 -106.3 -73.0 140.4 -21.5 -4.5 -49.7 +8IRA AG 59 GLU P . . . . P . - . . . . ? -0.534 35.3 -125.6 -69.1 132.2 -24.1 -2.0 -48.4 +8IRA AG 60 ALA P . . . . < . - . . . . ? -0.474 22.6 -147.6 -79.3 152.5 -23.0 -0.3 -45.2 +8IRA AG 61 GLU . . . . . . . - . . . . ? -0.900 13.3 -123.3 -121.8 151.2 -25.2 -0.3 -42.1 +8IRA AG 62 PHE E . . . . . . - H R L . ? -0.829 31.5 -160.5 -89.5 124.8 -25.9 2.0 -39.2 +8IRA AG 63 VAL E . . . . . . - H R L . ? -0.757 20.0 -108.5 -106.3 151.3 -25.2 0.3 -35.8 +8IRA AG 64 PRO E . . . . . . - H R L . ? -0.433 36.1 -162.7 -75.7 154.7 -26.5 1.4 -32.3 +8IRA AG 65 THR . . . . . . . - . . . . ? -0.870 17.2 -116.1 -133.5 164.7 -24.1 2.9 -29.8 +8IRA AG 66 LYS E . . . . . . - J AB T . ? -0.908 25.0 -128.2 -105.9 132.9 -23.9 3.6 -26.1 +8IRA AG 67 LEU E . . . . . . + J AB T . ? -0.662 28.7 172.7 -78.6 124.2 -23.7 7.1 -24.7 +8IRA AG 68 VAL . . . . . . . + . . . . ? 0.468 66.3 69.5 -111.1 -4.1 -20.8 7.6 -22.3 +8IRA AG 69 THR S . . . . . S - . . . . ? 0.174 91.3 -138.8 -104.8 17.9 -21.0 11.3 -21.7 +8IRA AG 70 ARG . . . . . . . - . . . . ? 0.006 56.0 -17.0 67.8 -165.0 -24.3 11.4 -19.7 +8IRA AG 71 GLU S . . . . . S + . . . . ? -0.364 100.3 102.9 -80.5 66.7 -27.2 13.9 -19.9 +8IRA AG 72 THR . . . . . . . + . . . . ? 0.033 50.8 95.6 -131.5 22.2 -25.3 16.6 -21.8 +8IRA AG 73 THR . . . . . . . + . . . . ? 0.641 50.6 102.0 -102.0 -19.5 -26.6 16.1 -25.2 +8IRA AG 74 SER . . . . . . . - . . . . ? -0.437 54.2 -143.7 -84.8 145.3 -29.5 18.5 -25.9 +8IRA AG 75 LEU E . . . . . . + H S J . ? -0.795 35.5 155.7 -97.4 142.9 -29.5 21.7 -27.9 +8IRA AG 76 ASP E . . . . . . + H S . M ? -0.983 38.9 48.2 -165.6 162.8 -31.8 24.5 -26.6 +8IRA AG 77 GLN E . . . . . S + H S . . ? 0.731 70.7 157.4 65.1 28.3 -32.6 28.2 -26.4 +8IRA AG 78 ILE E . . . . . . + H S J . ? -0.629 13.5 172.6 -82.5 136.4 -32.1 28.3 -30.1 +8IRA AG 79 GLN E . . . . . . + H S . M ? -0.974 7.3 140.3 -143.9 157.2 -33.9 31.2 -31.8 +8IRA AG 80 GLY E . . . . . . - H S J M ? -0.964 50.4 -63.8 -179.7 172.0 -34.1 32.8 -35.2 +8IRA AG 81 GLU E . . . . . . - H S J M ? -0.502 32.6 -152.8 -74.0 139.4 -36.3 34.4 -37.9 +8IRA AG 82 LEU E . . . . . . - H S J M ? -0.917 23.2 -163.5 -112.1 100.1 -39.2 32.4 -39.4 +8IRA AG 83 LYS E . . . . . . - H S . M ? -0.582 16.9 -139.9 -87.0 144.8 -39.7 33.9 -42.9 +8IRA AG 84 VAL E . . . . . . - H S . M ? -0.910 27.3 -152.9 -97.4 125.9 -42.6 33.6 -45.2 +8IRA AG 85 ASN . . > . . . . - . . . . ? -0.339 30.4 -94.0 -93.0 174.5 -41.5 33.2 -48.8 +8IRA AG 86 SER T . 3 . . . S + . . . . ? 0.867 124.1 48.4 -49.8 -46.3 -43.1 34.1 -52.2 +8IRA AG 87 ASP T . 3 . . . S - . . . . ? 0.203 121.2 -102.8 -86.9 11.3 -44.5 30.6 -52.6 +8IRA AG 88 GLY S . < . . . S + . . . . ? 0.367 78.8 134.6 82.2 -5.2 -45.9 30.3 -49.1 +8IRA AG 89 SER . . . . . . . - . . . . ? -0.391 50.8 -131.4 -68.7 155.1 -43.1 28.1 -47.8 +8IRA AG 90 LEU E . . . . . . - H T M . ? -0.873 16.2 -160.7 -108.0 143.8 -41.6 29.0 -44.4 +8IRA AG 91 THR E . . . . . . - H T M N ? -0.988 4.5 -154.7 -128.0 122.8 -37.8 29.3 -43.8 +8IRA AG 92 PHE E . . . . . . - H T M N ? -0.838 8.4 -168.7 -90.5 127.6 -36.2 29.2 -40.4 +8IRA AG 93 VAL E . . . . . . - H T M N ? -0.955 19.9 -134.6 -118.4 109.0 -32.8 30.9 -40.1 +8IRA AG 94 GLU E . . . . . . + H T M . ? -0.438 27.8 173.5 -65.4 131.8 -31.0 30.1 -36.9 +8IRA AG 95 GLU E . . . . . . - H T . . ? 0.812 57.8 -30.4 -104.4 -50.5 -29.5 33.3 -35.3 +8IRA AG 96 ASP E . . . . . . + H T M . ? -0.977 68.1 114.1 -163.1 165.3 -28.2 32.1 -31.9 +8IRA AG 97 GLY E . . . . . S - H T . . ? -0.874 77.3 -52.0 155.2 -176.9 -28.6 29.6 -29.1 +8IRA AG 98 ILE E . . . . . S + H T M . ? -0.680 71.4 161.1 -81.1 82.3 -26.9 26.6 -27.3 +8IRA AG 99 ASP . . . . . . . + . . . . ? 0.115 45.5 46.6 -105.5 18.3 -26.6 25.0 -30.8 +8IRA AG 100 PHE E . . . . . . + J AC . U ? -0.983 49.0 179.7 -151.0 151.6 -23.9 22.4 -30.2 +8IRA AG 101 GLN E . . . . . . - J AC . U ? -0.935 29.6 -126.2 -144.4 130.4 -22.9 19.7 -27.7 +8IRA AG 102 PRO E . . . . . . - J AC . U ? -0.594 33.9 -171.9 -66.7 135.8 -19.9 17.4 -27.8 +8IRA AG 103 VAL E . . . . . . - J AC . U ? -0.994 15.1 -161.0 -129.8 138.9 -21.1 13.8 -27.6 +8IRA AG 104 THR E . . . . . . - J AC . U ? -0.977 13.3 -179.0 -120.7 121.9 -19.1 10.6 -27.2 +8IRA AG 105 VAL E . . . . . . - J AC T U ? -0.811 17.1 -137.6 -112.9 154.9 -20.7 7.3 -28.1 +8IRA AG 106 GLN E . . . . . . - J AC T U ? -0.945 10.3 -150.6 -119.3 134.4 -19.2 3.8 -27.8 +8IRA AG 107 MET . . > . . . . - . . . . ? -0.551 41.9 -76.4 -92.3 162.8 -19.5 1.0 -30.3 +8IRA AG 108 ALA T . 3 . . . S + . . . . ? -0.396 122.6 36.5 -57.7 128.4 -19.4 -2.7 -29.6 +8IRA AG 109 GLY T . 3 . . . S - . . . . ? 0.318 127.4 -83.0 103.4 -9.2 -15.8 -3.7 -29.0 +8IRA AG 110 GLY S . < . . . S + . . . . ? 0.160 77.0 147.3 107.8 -13.6 -15.0 -0.4 -27.2 +8IRA AG 111 GLU . . . . . . . - . . . . ? -0.341 38.1 -142.4 -61.5 131.6 -14.2 2.1 -30.0 +8IRA AG 112 ARG E . . . . . . - J AD U . ? -0.814 10.5 -162.2 -102.8 132.4 -15.3 5.6 -29.0 +8IRA AG 113 ILE E . . . . . . - J AD U . ? -0.893 6.4 -165.3 -117.2 96.6 -16.8 8.0 -31.6 +8IRA AG 114 PRO E . . . . . . + J AD U . ? -0.655 14.9 173.5 -75.5 138.5 -16.8 11.7 -30.5 +8IRA AG 115 LEU E . . . . . . - J AD U . ? -0.961 37.3 -126.7 -138.4 158.4 -19.0 14.0 -32.5 +8IRA AG 116 LEU E . . . . . . - J AD U . ? -0.872 29.2 -154.0 -103.6 91.5 -20.0 17.7 -32.3 +8IRA AG 117 PHE E . . . . . . + J AD U . ? -0.580 37.1 146.7 -67.1 119.4 -23.8 17.3 -32.4 +8IRA AG 118 THR E . . . . . . - J AD U . ? -0.959 54.8 -162.6 -152.8 162.7 -24.9 20.6 -33.8 +8IRA AG 119 VAL . . > . . . . + . . . . ? -0.070 38.7 166.0 -134.9 32.1 -27.4 22.7 -35.9 +8IRA AG 120 LYS T . 3 . . . S + . . . . ? -0.216 70.9 3.9 -53.3 130.4 -25.1 25.7 -36.3 +8IRA AG 121 ASN T . 3 . . . S - . . . . ? 0.806 90.2 -172.5 62.7 32.9 -26.3 28.1 -39.0 +8IRA AG 122 LEU . . < . . . . - . . . . ? -0.335 13.6 -175.6 -59.4 131.0 -29.4 26.0 -39.6 +8IRA AG 123 VAL E . . . . . . + H U N O ? -0.980 13.3 173.5 -125.3 120.4 -31.5 27.0 -42.6 +8IRA AG 124 ALA E . . . . . . - H U N O ? -0.990 9.1 -171.4 -140.2 126.5 -34.6 24.9 -42.8 +8IRA AG 125 SER E . . . . . . - H U N O ? -0.773 12.6 -139.9 -116.9 155.5 -37.6 25.3 -45.1 +8IRA AG 126 THR . . . . . . . - . . . . ? -0.364 40.9 -81.4 -92.3 179.7 -41.1 23.7 -45.4 +8IRA AG 127 GLN . . . . . . . - . . . . ? -0.300 65.8 -79.8 -66.5 165.5 -43.0 22.7 -48.5 +8IRA AG 128 PRO S . . . . . S + . . . . ? -0.151 103.3 27.6 -65.0 168.2 -44.7 25.5 -50.4 +8IRA AG 129 ASN . . . . . . . + . . . . ? 0.887 62.3 171.3 45.1 62.4 -48.1 27.1 -49.5 +8IRA AG 130 VAL . . . . . . . + . . . . ? -0.806 5.3 168.9 -97.6 87.1 -48.2 26.5 -45.7 +8IRA AG 131 THR S . . . . . S + . . . . ? 0.876 75.0 14.1 -59.3 -40.3 -51.3 28.6 -44.9 +8IRA AG 132 SER E . . . . . S - I AA S . ? -0.987 81.9 -115.2 -139.4 142.7 -51.2 27.0 -41.4 +8IRA AG 133 ILE E . . . . . . + I AA S . ? -0.736 50.7 164.0 -79.4 121.3 -48.5 25.0 -39.5 +8IRA AG 134 THR . . > . . . . - . . . . ? -0.662 57.1 -88.1 -128.5 -179.1 -50.1 21.5 -39.0 +8IRA AG 135 THR T . 3 . . . S + . . . . ? 0.490 126.4 60.2 -73.6 -5.2 -49.0 18.0 -38.1 +8IRA AG 136 SER T . 3 . . . S + . . . . ? 0.528 81.1 109.6 -88.8 -14.4 -48.3 17.5 -41.8 +8IRA AG 137 THR . . < . . . . - . . . . ? -0.396 48.7 -172.8 -70.4 139.8 -45.8 20.4 -41.8 +8IRA AG 138 ASP E . . . . . . - H V . P ? -1.000 14.3 -151.6 -137.9 134.4 -42.1 19.3 -42.3 +8IRA AG 139 PHE E . . . . . . - H V . P ? -0.932 12.7 -177.3 -105.8 128.9 -38.9 21.2 -42.1 +8IRA AG 140 LYS E . . . . . . + H V O P ? -0.983 20.9 145.4 -122.1 139.6 -35.8 20.1 -44.2 +8IRA AG 141 GLY E . . . . . . - H V O P ? -0.974 39.2 -117.6 -163.7 171.2 -32.5 21.9 -43.9 +8IRA AG 142 GLU E . . . . . . + H V O P ? -0.906 24.5 178.9 -120.6 150.2 -28.7 22.2 -43.8 +8IRA AG 143 PHE E . . . . . . - H V . P ? -0.894 29.3 -102.1 -140.4 169.9 -26.3 23.2 -41.1 +8IRA AG 144 ASN E . . . . . . - H V . P ? -0.730 18.8 -160.0 -95.9 147.4 -22.6 23.6 -40.6 +8IRA AG 145 VAL E . . . . . . - H V . P ? -0.860 15.8 -166.1 -125.7 91.4 -20.4 21.2 -38.6 +8IRA AG 146 PRO E . . . . . . - H V . P ? -0.280 42.9 -66.1 -68.8 164.5 -17.1 22.8 -37.6 +8IRA AG 147 SER . . . . . . . - . . . . ? -0.211 43.0 -126.4 -45.9 136.3 -14.2 20.9 -36.3 +8IRA AG 148 TYR S . . . . . S + . . . . ? 0.899 101.3 40.9 -57.0 -48.0 -14.9 19.2 -33.0 +8IRA AG 149 ARG S . . . . . S - . . . . ? -0.814 89.9 -134.6 -94.0 147.2 -11.8 20.8 -31.5 +8IRA AG 150 THR . . > . . . . - . . . . ? -0.358 37.1 -80.0 -96.8 -178.7 -11.1 24.5 -32.4 +8IRA AG 151 ALA T . 3 . . . S + . . . . ? 0.707 121.3 55.1 -62.3 -31.2 -7.7 25.9 -33.4 +8IRA AG 152 ASN T . 3 . . . S + . . . . ? 0.593 76.2 123.4 -77.9 -13.3 -6.0 26.4 -30.0 +8IRA AG 153 PHE . . < . . . . - . . . . ? -0.238 50.8 -149.9 -54.4 133.9 -6.4 22.7 -29.0 +8IRA AG 154 LEU . . . . . . . - . . . . ? -0.935 7.1 -137.2 -110.4 128.1 -3.1 21.0 -28.2 +8IRA AG 155 ASP . . > . . . . - . . . . ? -0.134 41.0 -86.8 -73.2 173.4 -2.6 17.3 -28.8 +8IRA AG 156 PRO T . 3 . . . S + . . . . ? 0.712 130.2 49.6 -58.9 -22.3 -0.8 15.1 -26.1 +8IRA AG 157 LYS T . 3 . . . S - . . . . ? 0.189 124.3 -101.5 -100.8 15.0 2.6 15.9 -27.6 +8IRA AG 158 GLY S . < . . . S + . . . . ? 0.623 75.6 139.6 80.1 15.7 1.9 19.7 -27.6 +8IRA AG 159 ARG B . . . . . . + K AE V . ? -0.715 18.9 145.0 -94.4 144.3 1.1 20.0 -31.3 +8IRA AG 160 GLY . . . . . . . - . . . . ? -0.869 49.7 -109.5 -158.3 -172.2 -1.7 22.2 -32.6 +8IRA AG 161 LEU S . . . . . S + . . . . ? 0.903 111.0 18.4 -96.7 -66.6 -3.0 24.5 -35.3 +8IRA AG 162 ALA S . . . . . S + . . . . ? 0.493 140.2 16.6 -87.5 -6.7 -3.1 28.1 -34.0 +8IRA AG 163 SER S . . . . . S + . . . . ? -0.940 92.7 56.3 -150.6 170.4 -0.7 27.1 -31.2 +8IRA AG 164 GLY S . . . . . S - . . . . ? -0.238 83.8 -38.4 100.9 173.5 1.7 24.3 -30.3 +8IRA AG 165 TYR B . . . . . . - K AF V . ? -0.379 39.2 -146.5 -67.9 153.5 4.7 22.6 -31.7 +8IRA AG 166 ASP S . . . . . S + . . . . ? 0.185 76.1 32.7 -108.0 16.2 4.9 22.0 -35.5 +8IRA AG 167 SER S . . . . . S - . . . . ? -0.941 94.2 -83.6 -159.8 172.3 6.8 18.7 -35.2 +8IRA AG 168 ALA . . > . . . . - . . . . ? -0.687 43.7 -177.8 -87.2 85.6 7.4 15.5 -33.2 +8IRA AG 169 ILE T . 3 . . . S + . . . . ? 0.697 75.1 62.9 -65.2 -22.4 9.9 17.0 -30.8 +8IRA AG 170 ALA T . 3 . . . S + . . . . ? 0.599 102.9 52.3 -75.8 -13.4 10.5 13.7 -28.9 +8IRA AG 171 LEU S . X . . . S + . . . . ? -0.642 72.4 175.2 -117.8 69.9 11.9 12.2 -32.2 +8IRA AG 172 PRO T . 3 . . . S + . . . . ? 0.777 78.0 27.1 -49.1 -39.0 14.5 14.8 -33.1 +8IRA AG 173 GLN T . 3 . . . S + . . . . ? 0.037 88.5 124.2 -121.3 24.3 16.0 13.1 -36.1 +8IRA AG 174 ALA S . < . . . S - . . . . ? -0.513 76.8 -92.7 -73.1 153.3 13.0 11.0 -37.3 +8IRA AG 175 LYS . . > . . . . - . . . . ? -0.603 33.8 -153.1 -68.8 120.1 11.9 11.5 -40.9 +8IRA AG 176 GLU G . > . . . S + . . . . ? 0.820 83.7 72.3 -65.1 -36.3 9.2 14.1 -40.8 +8IRA AG 177 GLU G . > . . . S + . . . . ? 0.782 92.7 56.1 -53.3 -35.8 7.4 13.0 -43.9 +8IRA AG 178 GLU G . < . . . S + . . . . ? 0.672 112.7 42.3 -68.9 -21.2 6.0 9.8 -42.2 +8IRA AG 179 LEU G . X > . . S + . . . . ? 0.241 78.5 109.3 -112.0 7.8 4.4 12.0 -39.5 +8IRA AG 180 ALA H . < > . . S + . . . . ? 0.845 75.3 56.1 -57.8 -37.9 3.0 14.8 -41.6 +8IRA AG 181 ARG H . 3 4 . . S + . . . . ? 0.792 115.3 38.8 -70.2 -25.2 -0.6 13.8 -41.1 +8IRA AG 182 ALA H . < 4 . . S + . . . . ? 0.679 117.6 48.4 -91.7 -25.8 -0.2 13.9 -37.3 +8IRA AG 183 ASN H . . < . . S + . . . . ? 0.841 102.3 64.1 -83.1 -36.2 2.0 17.0 -37.2 +8IRA AG 184 VAL S . . < . . S - . . . . ? -0.805 76.9 -153.0 -98.6 103.7 -0.1 19.3 -39.4 +8IRA AG 185 LYS . . . . . . . - . . . . ? -0.517 9.0 -161.0 -76.4 141.1 -3.5 19.9 -37.9 +8IRA AG 186 ARG . . . . . . . - . . . . ? -0.974 12.3 -141.0 -125.9 139.8 -6.3 20.7 -40.2 +8IRA AG 187 PHE . . . . . . . - . . . . ? -0.891 22.4 -159.0 -100.4 110.5 -9.6 22.4 -39.4 +8IRA AG 188 SER . . . . . . . - . . . . ? -0.618 12.2 -171.2 -88.1 151.6 -12.5 20.8 -41.2 +8IRA AG 189 LEU E . . . . . . + H W P . ? -0.883 19.7 165.1 -140.0 108.3 -15.9 22.4 -41.9 +8IRA AG 190 THR E . . . . . . - H W P . ? -0.582 29.5 -112.3 -117.9 178.0 -18.5 20.1 -43.3 +8IRA AG 191 LYS E . . . . . . - H W P . ? -0.806 21.4 -164.7 -114.0 152.1 -22.3 20.1 -43.8 +8IRA AG 192 GLY E . . . . . . - H W P . ? -0.915 12.1 -135.7 -130.2 163.4 -25.2 18.1 -42.2 +8IRA AG 193 GLN E . . . . . . - H W P Q ? -0.923 18.0 -172.1 -117.8 141.5 -28.9 17.5 -43.1 +8IRA AG 194 ILE E . . . . . . - H W P Q ? -0.999 11.3 -160.9 -134.1 140.2 -31.8 17.6 -40.7 +8IRA AG 195 SER E . . . . . . - H W P Q ? -0.983 6.5 -163.8 -108.6 129.1 -35.5 16.7 -41.0 +8IRA AG 196 LEU E . . . . . . - H W P Q ? -0.966 5.4 -163.7 -111.6 114.0 -38.0 18.0 -38.5 +8IRA AG 197 ASN E . . . . . . - H W P Q ? -0.858 13.2 -142.3 -98.4 103.3 -41.3 16.2 -38.6 +8IRA AG 198 VAL E . . . . . . + H W . Q ? -0.490 31.3 162.5 -64.8 130.0 -44.0 18.1 -36.8 +8IRA AG 199 ALA E . . . . . . + H W . . ? 0.536 61.9 35.9 -124.2 -22.3 -46.3 15.7 -34.9 +8IRA AG 200 LYS E . . . . . . - H W . Q ? -0.998 59.3 -175.7 -139.6 135.7 -48.1 18.0 -32.4 +8IRA AG 201 VAL E . . . . . . - H W I Q ? -0.999 15.0 -161.3 -132.1 128.5 -49.3 21.6 -32.8 +8IRA AG 202 ASP E . . > > . . - H W . Q ? -0.948 12.1 -169.8 -101.6 107.0 -50.9 23.8 -30.1 +8IRA AG 203 GLY T . . 4 5 . S + . . . . ? 0.698 80.7 52.4 -72.4 -23.0 -52.6 26.5 -32.3 +8IRA AG 204 ARG T . . 4 5 . S + . . . . ? 0.872 119.3 31.3 -81.0 -42.6 -53.4 28.8 -29.4 +8IRA AG 205 THR T . . 4 5 . S - . . . . ? 0.749 101.3 -123.8 -88.4 -25.8 -49.9 29.0 -27.9 +8IRA AG 206 GLY T . . < 5 . . + . . . . ? 0.753 61.6 143.8 81.0 27.6 -47.9 28.6 -31.1 +8IRA AG 207 GLU E . . . < . . - H X Q R ? -0.854 25.3 -178.0 -100.7 134.4 -46.0 25.6 -29.7 +8IRA AG 208 ILE E . . . . . . + H X Q R ? -0.916 3.3 178.5 -123.7 154.5 -45.0 22.7 -31.9 +8IRA AG 209 ALA E . . . . . . + H X Q R ? -0.966 15.5 127.8 -145.2 162.3 -43.2 19.4 -31.2 +8IRA AG 210 GLY E . . . . . . - H X Q R ? -0.923 50.3 -66.6 -176.9 -158.3 -42.1 16.4 -33.1 +8IRA AG 211 THR E . . . . . . - H X Q R ? -0.724 39.3 -158.5 -109.2 165.9 -39.3 14.0 -34.0 +8IRA AG 212 PHE E . . . . . . - H X Q R ? -0.969 12.0 -160.5 -141.0 158.0 -36.1 14.7 -36.0 +8IRA AG 213 GLU E . . . . . . + H X Q R ? -0.985 17.2 178.6 -134.9 131.1 -33.4 12.9 -37.9 +8IRA AG 214 SER E . . . . . . - H X Q R ? -0.976 12.9 -156.8 -133.9 145.7 -30.1 14.5 -38.6 +8IRA AG 215 GLU E . . . . . . + H X Q R ? -0.983 27.1 140.9 -122.4 135.9 -27.0 13.3 -40.5 +8IRA AG 216 GLN E . . . . . . - H X . R ? -0.972 46.6 -92.3 -160.4 169.4 -23.4 14.6 -39.9 +8IRA AG 217 LEU E . . . . . . - H X . R ? -0.618 36.5 -130.5 -87.7 151.2 -19.8 13.6 -39.7 +8IRA AG 218 SER . . . . . . . - . . . . ? -0.221 47.4 -55.6 -86.7 -179.8 -18.0 12.8 -36.4 +8IRA AG 219 ASP . . . . . . . - . . . . ? -0.303 38.0 -170.1 -59.5 140.4 -14.7 14.1 -35.1 +8IRA AG 220 ASP . . . > > . . - . . . . ? 0.267 41.7 -118.9 -112.1 7.2 -11.7 13.6 -37.4 +8IRA AG 221 ASP T . > 4 5 . S - . . . . ? 0.927 72.2 -53.5 51.8 51.8 -9.2 14.7 -34.7 +8IRA AG 222 MET T . 3 4 5 . S - . . . . ? 0.792 112.4 -43.1 57.4 37.4 -7.9 17.7 -36.8 +8IRA AG 223 GLY T . 3 4 5 . S + . . . . ? 0.394 108.3 116.8 98.0 0.7 -7.2 15.6 -39.8 +8IRA AG 224 ALA T . < < 5 . S + . . . . ? 0.708 82.9 3.2 -77.0 -23.2 -5.5 12.6 -38.1 +8IRA AG 225 HIS S . . . < . S - . . . . ? -0.958 86.8 -82.6 -152.9 169.5 -8.1 10.0 -39.2 +8IRA AG 226 GLU P . . . . > . - . . . . ? -0.527 45.0 -123.6 -75.0 142.3 -11.3 9.7 -41.2 +8IRA AG 227 PRO P . . . . P . - . . . . ? -0.356 20.1 -125.0 -72.9 164.8 -14.6 10.7 -39.6 +8IRA AG 228 HIS P . . . . P . - . . . . ? -0.774 23.1 -111.1 -99.1 156.3 -17.6 8.4 -39.3 +8IRA AG 229 GLU E . . . . < . - H Y . R ? -0.747 36.8 -161.8 -80.8 134.9 -21.1 9.1 -40.6 +8IRA AG 230 VAL E . . . . . . - H Y K R ? -0.968 12.1 -161.2 -122.4 137.6 -23.5 9.6 -37.7 +8IRA AG 231 LYS E . . . . . . - H Y K R ? -0.979 12.8 -163.9 -114.6 127.4 -27.3 9.5 -37.8 +8IRA AG 232 ILE E . . . . . . - H Y K R ? -0.963 6.7 -175.2 -118.5 128.6 -29.1 11.2 -34.9 +8IRA AG 233 GLN E . . . . . . + H Y K R ? -0.887 24.8 115.7 -117.7 149.1 -32.7 10.7 -33.9 +8IRA AG 234 GLY E . . . . . . - H Y K R ? -0.960 54.7 -75.6 -177.7 -164.3 -34.7 12.5 -31.2 +8IRA AG 235 VAL E . . . . . . - H Y K R ? -0.823 35.2 -161.0 -115.6 157.4 -37.5 14.8 -30.3 +8IRA AG 236 PHE E . . . . . . - H Y K R ? -0.945 7.3 -161.3 -134.6 159.5 -37.8 18.6 -30.7 +8IRA AG 237 TYR E . . . . . . + H Y K R ? -0.991 12.4 177.1 -135.1 140.3 -39.9 21.4 -29.3 +8IRA AG 238 ALA E . . . . . . - H Y K R ? -0.994 17.7 -152.3 -140.4 143.8 -40.3 24.9 -30.8 +8IRA AG 239 SER E . . . . . . - H Y K R ? -0.989 14.8 -161.0 -113.0 124.8 -42.4 27.9 -29.8 +8IRA AG 240 ILE E . . . . . . + H Y K . ? -0.782 15.0 168.9 -96.8 145.2 -43.4 30.3 -32.6 +8IRA AG 241 GLU E . . . . . . - H Y K . ? -0.977 38.8 -99.7 -152.3 148.9 -44.5 33.9 -31.9 +8IRA AG 242 PRO E . . . . . . . H Y K . ? -0.485 . . -69.2 139.0 -45.1 37.0 -34.1 +8IRA AG 243 ALA . . . . . . . . . . . . ? -0.272 . . -91.5 . -42.2 39.5 -34.2 +8IRA AH 1 FME . . . > . . . . . . . . ? . . . . -21.1 4.3 -9.9 -24.4 +8IRA AH 2 GLU H . . > . . . + . . . . ? 0.912 . 51.3 -85.6 -37.3 5.1 -7.1 -22.1 +8IRA AH 3 THR H . . > . . S + . . . . ? 0.948 111.9 49.6 -55.6 -47.2 1.7 -6.9 -20.5 +8IRA AH 4 ILE H . . > . . S + . . . . ? 0.923 110.0 50.8 -57.2 -47.4 1.9 -10.6 -19.9 +8IRA AH 5 THR H . . X . . S + . . . . ? 0.931 110.9 48.1 -56.0 -51.0 5.4 -10.2 -18.4 +8IRA AH 6 TYR H . . X . . S + . . . . ? 0.890 115.0 44.2 -59.3 -41.5 4.3 -7.4 -16.0 +8IRA AH 7 VAL H . . X . . S + . . . . ? 0.879 110.4 56.6 -73.4 -37.6 1.2 -9.4 -14.8 +8IRA AH 8 PHE H . . X . . S + . . . . ? 0.943 108.3 45.9 -55.1 -49.6 3.3 -12.6 -14.5 +8IRA AH 9 ILE H . . X . . S + . . . . ? 0.931 111.8 51.7 -64.0 -47.3 5.8 -11.0 -12.1 +8IRA AH 10 PHE H . . X . . S + . . . . ? 0.937 108.9 51.5 -48.9 -48.7 3.0 -9.4 -10.0 +8IRA AH 11 ALA H . . X . . S + . . . . ? 0.866 106.5 53.5 -62.1 -39.8 1.3 -12.8 -9.7 +8IRA AH 12 CYS H . . X . . S + . . . . ? 0.885 107.9 51.4 -59.6 -41.2 4.5 -14.4 -8.5 +8IRA AH 13 ILE H . . X . . S + . . . . ? 0.925 108.6 49.5 -62.9 -46.5 4.8 -11.7 -5.8 +8IRA AH 14 ILE H . . X . . S + . . . . ? 0.934 112.2 49.5 -59.3 -45.0 1.2 -12.3 -4.6 +8IRA AH 15 ALA H . . X . . S + . . . . ? 0.908 107.3 54.1 -57.2 -46.1 2.0 -16.1 -4.5 +8IRA AH 16 LEU H . . X . . S + . . . . ? 0.878 104.0 55.8 -56.6 -41.1 5.3 -15.4 -2.5 +8IRA AH 17 PHE H . . X . . S + . . . . ? 0.897 104.8 54.6 -54.8 -42.3 3.2 -13.5 0.1 +8IRA AH 18 PHE H . . X . . S + . . . . ? 0.933 113.0 39.3 -58.7 -51.6 1.1 -16.6 0.5 +8IRA AH 19 PHE H . . X . . S + . . . . ? 0.845 113.0 56.9 -68.1 -35.9 4.0 -18.9 1.3 +8IRA AH 20 ALA H . . < . . S + . . . . ? 0.796 115.9 35.6 -69.1 -29.4 5.8 -16.2 3.4 +8IRA AH 21 ILE H . > < . . S + . . . . ? 0.933 130.7 26.6 -86.4 -53.2 2.8 -15.8 5.7 +8IRA AH 22 PHE H . 3 < . . S + . . . . ? 0.736 128.3 40.0 -89.9 -24.6 1.4 -19.4 5.9 +8IRA AH 23 PHE T . 3 < . . S + . . . . ? -0.213 84.8 135.9 -117.6 43.3 4.5 -21.4 5.3 +8IRA AH 24 ARG S . < . . > S - . . . . ? -0.332 71.5 -90.9 -76.0 165.1 7.0 -19.4 7.2 +8IRA AH 25 GLU P . . . . P . - . . . . ? -0.738 54.4 -120.9 -70.4 117.9 9.6 -20.8 9.6 +8IRA AH 26 PRO P . . . . P . - . . . . ? -0.453 22.1 -117.0 -67.0 132.1 7.6 -20.8 12.8 +8IRA AH 27 PRO P . . . . < . - . . . . ? -0.540 33.8 -161.6 -64.7 136.7 9.2 -18.7 15.6 +8IRA AH 28 ARG . . . . . . . - . . . . ? -0.989 12.4 -128.3 -126.9 133.4 10.1 -21.0 18.5 +8IRA AH 29 ILE . . . . . . . . . . . . ? -0.595 . . -80.8 136.7 10.9 -19.9 22.1 +8IRA AH 30 THR . . . . . . . . . . . . ? -0.639 . . -136.4 . 14.1 -21.0 23.8 +8IRA AI 1 GLU . . . . . . . . . . . . ? . . . . -39.5 -0.9 19.2 -49.7 +8IRA AI 2 LEU . . . . . . . + . . . . ? -0.779 . 158.2 -90.5 109.5 -0.8 19.4 -45.9 +8IRA AI 3 VAL . . . . . . . - . . . . ? -0.960 46.3 -121.8 -128.2 146.5 -0.3 23.0 -44.7 +8IRA AI 4 ASN . . . > . . . - . . . . ? -0.844 26.3 -156.5 -81.3 116.6 -1.0 24.7 -41.4 +8IRA AI 5 VAL H . . > . . S + . . . . ? 0.677 86.9 57.8 -76.1 -21.4 -3.3 27.5 -42.7 +8IRA AI 6 VAL H . . > . . S + . . . . ? 0.906 108.2 46.0 -74.4 -43.2 -2.6 29.8 -39.7 +8IRA AI 7 ASP H . . 4 . . S + . . . . ? 0.889 112.3 52.2 -60.3 -42.5 1.1 29.9 -40.5 +8IRA AI 8 GLU H . > < . . S + . . . . ? 0.877 104.9 55.5 -60.3 -39.6 0.3 30.4 -44.2 +8IRA AI 9 LYS H . > < . . S + . . . . ? 0.808 95.6 66.0 -65.3 -32.3 -2.0 33.3 -43.2 +8IRA AI 10 LEU T . 3 < . . S + . . . . ? 0.682 94.5 60.6 -63.5 -19.4 1.0 35.0 -41.5 +8IRA AI 11 GLY T . < . . . S + . . . . ? 0.367 100.0 67.9 -84.8 1.1 2.6 35.3 -45.0 +8IRA AI 12 THR S . X . . . S - . . . . ? -0.406 113.2 -78.2 -104.7 -172.4 -0.3 37.4 -46.2 +8IRA AI 13 ALA G . > > . . S + . . . . ? 0.704 122.7 77.6 -62.8 -20.6 -1.3 41.0 -45.2 +8IRA AI 14 TYR G . 3 4 . . S + . . . . ? 0.787 89.3 57.4 -53.2 -32.1 -2.8 39.4 -42.0 +8IRA AI 15 GLY G . < 4 . . S + . . . . ? 0.471 117.5 30.4 -78.3 -3.9 0.8 39.2 -40.8 +8IRA AI 16 GLU T . < 4 . . S + . . . . ? 0.623 121.0 24.6 -125.6 -27.9 1.3 43.0 -41.2 +8IRA AI 17 LYS S . . < . . S - . . . . ? -0.800 90.4 -76.6 -135.1 173.5 -2.0 44.8 -40.6 +8IRA AI 18 ILE E . . . . . . - L AG W . ? -0.704 44.8 -146.7 -74.8 111.3 -5.4 44.4 -38.9 +8IRA AI 19 ASP E . > > . . . - L AG W . ? -0.741 2.3 -154.8 -82.2 115.5 -7.4 42.0 -41.1 +8IRA AI 20 LEU T . 3 4 . . S + . . . . ? 0.740 92.8 47.6 -64.0 -22.3 -11.0 43.1 -40.9 +8IRA AI 21 ASN T . 3 4 . . S + . . . . ? 0.465 129.7 9.8 -95.7 -7.5 -12.1 39.6 -41.8 +8IRA AI 22 ASN T . < 4 . . S + . . . . ? 0.599 87.4 109.7 -141.9 -36.8 -10.0 37.5 -39.4 +8IRA AI 23 THR S . . < . . S - . . . . ? -0.254 70.3 -106.2 -67.1 141.5 -8.0 39.4 -36.7 +8IRA AI 24 ASN . . > . . . . - . . . . ? -0.349 30.9 -114.9 -61.3 144.9 -9.0 39.1 -33.1 +8IRA AI 25 ILE G . > . . . S + . . . . ? 0.661 108.0 72.1 -61.2 -25.4 -10.8 42.2 -31.7 +8IRA AI 26 ALA G . > . . . S + . . . . ? 0.722 82.4 74.1 -64.1 -20.5 -8.0 43.0 -29.2 +8IRA AI 27 ALA G . X . . . S + . . . . ? 0.755 80.8 71.1 -62.2 -26.1 -5.8 44.1 -32.2 +8IRA AI 28 PHE G . X . . . S + . . . . ? 0.505 77.8 77.0 -75.0 -4.3 -7.9 47.3 -32.5 +8IRA AI 29 ILE G . < . . . S + . . . . ? 0.660 75.6 81.0 -73.6 -14.6 -6.4 48.7 -29.3 +8IRA AI 30 GLN G . < . . . S + . . . . ? 0.647 93.5 46.8 -65.5 -19.6 -3.3 49.5 -31.3 +8IRA AI 31 TYR S . X . . . S - . . . . ? -0.913 95.0 -92.5 -129.4 154.9 -4.8 52.7 -32.7 +8IRA AI 32 ARG T . 3 . . . S + . . . . ? -0.392 99.2 3.8 -68.8 132.9 -6.7 55.6 -31.2 +8IRA AI 33 GLY T . 3 . . . S + . . . . ? 0.464 98.3 99.6 82.8 5.9 -10.5 55.6 -31.1 +8IRA AI 34 LEU . . < . > . . + . . . . ? 0.712 58.2 105.2 -95.1 -25.3 -11.2 52.1 -32.4 +8IRA AI 35 TYR T . . . 5 . S - . . . . ? -0.930 84.7 -10.9 -121.9 138.5 -11.8 50.0 -29.3 +8IRA AI 36 PRO T . . > 5 . S + . . . . ? -0.974 131.0 38.9 -89.5 -18.5 -14.2 48.9 -28.0 +8IRA AI 37 THR H . . > 5 . S + . . . . ? 0.916 122.3 35.1 -65.5 -54.2 -17.1 50.5 -29.9 +8IRA AI 38 LEU H . . > 5 . S + . . . . ? 0.875 115.5 57.5 -66.3 -37.7 -15.9 50.6 -33.5 +8IRA AI 39 ALA H . . > < . S + . . . . ? 0.903 105.9 50.5 -56.9 -44.7 -14.1 47.3 -33.1 +8IRA AI 40 LYS H . . X . . S + . . . . ? 0.932 112.7 45.7 -58.9 -49.0 -17.3 45.6 -32.0 +8IRA AI 41 LEU H . . X . . S + . . . . ? 0.897 112.1 51.5 -62.3 -42.8 -19.2 47.0 -35.1 +8IRA AI 42 ILE H . . < . . S + . . . . ? 0.912 114.5 41.7 -60.8 -45.9 -16.4 46.0 -37.5 +8IRA AI 43 VAL H . > < . . S + . . . . ? 0.895 113.0 53.7 -72.4 -39.4 -16.2 42.4 -36.2 +8IRA AI 44 LYS H . 3 < . . S + . . . . ? 0.904 112.9 43.8 -58.6 -43.1 -20.0 42.1 -36.1 +8IRA AI 45 ASN T . 3 < . . S + . . . . ? 0.309 96.5 150.6 -94.4 8.8 -20.4 43.2 -39.7 +8IRA AI 46 ALA . . < . . . . + . . . . ? -0.355 24.9 72.3 -71.3 162.1 -17.6 41.2 -41.3 +8IRA AI 47 PRO . . . . . . . - . . . . ? 0.542 57.8 -175.1 -85.5 171.3 -16.7 39.9 -43.8 +8IRA AI 48 TYR . . . . . . . - . . . . ? -0.933 26.8 -147.5 -125.2 144.2 -15.8 42.7 -46.2 +8IRA AI 49 GLU S . . . . . S + . . . . ? 0.833 88.0 8.3 -78.7 -36.6 -14.8 42.4 -49.9 +8IRA AI 50 SER S . > . . . S - . . . . ? -0.945 79.3 -108.0 -140.6 164.5 -12.5 45.4 -49.6 +8IRA AI 51 VAL G . > . . . S + . . . . ? 0.875 114.5 58.5 -58.5 -43.1 -11.2 47.7 -46.9 +8IRA AI 52 GLU G . > . . . S + . . . . ? 0.690 86.5 77.5 -66.9 -18.8 -13.3 50.7 -47.8 +8IRA AI 53 ASP G . X . . . S + . . . . ? 0.744 77.2 75.4 -60.4 -23.5 -16.6 48.6 -47.4 +8IRA AI 54 VAL G . X . . . S + . . . . ? 0.771 84.2 65.2 -60.0 -26.2 -16.1 49.1 -43.6 +8IRA AI 55 LEU G . < . . . S + . . . . ? 0.614 93.5 62.3 -68.7 -16.3 -17.3 52.7 -44.2 +8IRA AI 56 ASN G . < . . . . + . . . . ? 0.259 67.1 132.9 -97.3 9.7 -20.7 51.3 -45.2 +8IRA AI 57 ILE . . X . . . . - . . . . ? -0.444 65.2 -111.1 -60.5 125.1 -21.5 49.7 -41.8 +8IRA AI 58 PRO T . 3 . . . S + . . . . ? -0.357 94.7 21.0 -61.3 138.2 -25.2 50.7 -41.0 +8IRA AI 59 GLY T . 3 . . . S + . . . . ? 0.427 79.2 147.5 87.3 2.2 -25.6 53.1 -38.1 +8IRA AI 60 LEU . . < . . . . - . . . . ? -0.422 46.0 -125.6 -61.1 141.6 -22.1 54.6 -37.9 +8IRA AI 61 THR . . . > . . . - . . . . ? -0.339 24.6 -107.1 -77.7 170.7 -22.0 58.2 -36.7 +8IRA AI 62 GLU H . . > . . S + . . . . ? 0.875 121.6 51.8 -67.4 -37.8 -20.3 60.8 -38.9 +8IRA AI 63 ARG H . . > . . S + . . . . ? 0.874 107.0 53.6 -67.0 -37.2 -17.4 61.0 -36.4 +8IRA AI 64 GLN H . . > . . S + . . . . ? 0.898 106.3 51.9 -64.0 -41.2 -17.0 57.2 -36.5 +8IRA AI 65 LYS H . . X . . S + . . . . ? 0.838 109.2 51.6 -62.6 -34.4 -16.7 57.3 -40.3 +8IRA AI 66 GLN H . . X . . S + . . . . ? 0.924 109.5 48.4 -66.3 -46.0 -14.0 60.0 -39.9 +8IRA AI 67 ILE H . . X . . S + . . . . ? 0.888 111.4 50.8 -61.2 -40.9 -12.0 57.8 -37.5 +8IRA AI 68 LEU H . . < . . S + . . . . ? 0.886 107.7 53.2 -64.3 -39.5 -12.4 54.9 -39.9 +8IRA AI 69 ARG H . > < . . S + . . . . ? 0.895 106.0 53.1 -63.1 -40.6 -11.1 57.0 -42.8 +8IRA AI 70 GLU H . 3 < . . S + . . . . ? 0.778 114.9 42.7 -59.8 -29.5 -8.0 58.0 -40.8 +8IRA AI 71 ASN T . > < . . S + . . . . ? 0.288 78.6 101.8 -106.1 7.8 -7.2 54.3 -40.1 +8IRA AI 72 LEU G . X . . . S + . . . . ? 0.894 77.7 61.9 -60.8 -40.4 -7.9 52.7 -43.5 +8IRA AI 73 GLU G . 3 . . . S + . . . . ? 0.735 101.8 53.4 -55.2 -26.9 -4.1 52.5 -44.2 +8IRA AI 74 HIS G . < . . . S + . . . . ? 0.450 100.7 80.0 -86.3 -4.5 -3.8 50.2 -41.1 +8IRA AI 75 PHE E . < . . . . + L AH W . ? -0.671 49.4 170.4 -105.5 158.4 -6.5 47.8 -42.4 +8IRA AI 76 THR E . . . . . . - L AH W . ? -0.925 19.4 -140.7 -147.6 170.1 -6.5 44.9 -44.9 +8IRA AI 77 VAL . . . . . . . + . . . . ? -0.996 20.3 168.8 -134.8 140.5 -8.8 42.1 -45.9 +8IRA AI 78 THR . . . . . . . - . . . . ? -0.897 50.3 -65.6 -134.3 170.2 -8.1 38.5 -46.8 +8IRA AI 79 GLU . . . . . . . - . . . . ? -0.220 63.9 -94.1 -55.4 140.4 -10.3 35.5 -47.3 +8IRA AI 80 VAL . . . . . . . - . . . . ? -0.402 37.1 -150.1 -54.4 125.1 -12.2 34.4 -44.2 +8IRA AI 81 GLU . . > > . . . - . . . . ? -0.939 3.0 -150.2 -103.7 115.7 -10.1 31.6 -42.6 +8IRA AI 82 THR H . 3 > . . S + . . . . ? 0.823 92.9 59.6 -53.1 -40.1 -12.5 29.2 -40.8 +8IRA AI 83 ALA H . 3 4 . . S + . . . . ? 0.738 108.9 43.4 -65.5 -24.6 -9.9 28.3 -38.1 +8IRA AI 84 LEU H . < 4 . . S + . . . . ? 0.680 118.9 40.6 -93.6 -20.7 -9.6 31.9 -37.0 +8IRA AI 85 VAL H . > < . . S + . . . . ? 0.627 95.2 88.2 -106.4 -18.5 -13.3 32.9 -36.9 +8IRA AI 86 GLU G . > < . . S + . . . . ? -0.254 80.8 37.6 -72.8 168.0 -14.8 29.7 -35.5 +8IRA AI 87 GLY G . 3 . . . S - . . . . ? 0.549 125.0 -82.4 67.8 10.0 -15.2 29.3 -31.7 +8IRA AI 88 GLY G . X > . . S + . . . . ? 0.775 86.4 152.2 61.4 28.1 -16.0 33.0 -31.4 +8IRA AI 89 ASP T . < 4 . . . + . . . . ? 0.665 56.6 68.5 -71.1 -17.4 -12.2 33.3 -31.5 +8IRA AI 90 ARG T . 3 4 . . S + . . . . ? 0.650 108.4 40.2 -71.1 -15.4 -12.4 36.8 -32.9 +8IRA AI 91 TYR T . < 4 . . S + . . . . ? 0.695 138.4 4.3 -98.9 -30.2 -13.8 37.9 -29.6 +8IRA AI 92 ASN . . . < . . . + . . . . ? -0.789 59.2 179.5 -160.2 108.8 -11.6 35.8 -27.3 +8IRA AI 93 ASN . . . . . . . - . . . . ? 0.111 59.7 -96.8 -106.3 21.0 -8.8 33.7 -28.8 +8IRA AI 94 GLY S . . . . . S + . . . . ? 0.513 89.5 120.3 79.7 6.3 -7.5 32.2 -25.5 +8IRA AI 95 LEU . . . . . . . + . . . . ? -0.917 21.7 144.2 -109.7 126.5 -4.7 34.8 -25.2 +8IRA AI 96 TYR . . . . . . . . . . . . ? -0.172 . . -121.5 -139.2 -4.5 37.2 -22.3 +8IRA AI 97 LYS . . . . . . . . . . . . ? -0.765 . . -85.2 . -1.1 38.4 -20.8 +8IRA AJ 1 ALA . . . . . . . . . . . . ? . . . . 141.1 21.1 53.2 -9.7 +8IRA AJ 2 GLU . . . . . . . - . . . . ? -0.875 . -102.6 -132.8 162.2 18.9 55.7 -7.7 +8IRA AJ 3 LEU . . . . . . . - . . . . ? -0.743 57.2 -177.6 -84.4 90.7 15.5 57.2 -7.8 +8IRA AJ 4 THR . . . > . . . - . . . . ? -0.358 42.8 -107.0 -90.5 166.5 16.6 60.6 -9.2 +8IRA AJ 5 PRO T . . 4 . . S + . . . . ? 0.834 120.0 60.5 -58.2 -31.3 14.6 63.8 -10.0 +8IRA AJ 6 GLU T . > 4 . . S + . . . . ? 0.942 106.5 44.4 -60.8 -49.3 15.0 62.9 -13.7 +8IRA AJ 7 VAL T . 3 4 . . S + . . . . ? 0.861 112.4 53.3 -61.6 -37.9 13.1 59.6 -13.2 +8IRA AJ 8 LEU T . 3 < . . S + . . . . ? 0.322 85.9 99.9 -84.0 6.0 10.5 61.4 -11.0 +8IRA AJ 9 THR E . < . . . . + M AI X . ? -0.867 51.0 164.0 -95.5 121.5 9.8 64.0 -13.7 +8IRA AJ 10 VAL E . . . . . . - M AI X . ? -0.862 44.2 -78.7 -133.7 160.9 6.6 63.1 -15.6 +8IRA AJ 11 PRO E . . . . . . - M AI X . ? -0.472 31.6 -168.9 -62.8 129.3 4.2 64.8 -18.0 +8IRA AJ 12 LEU . . . . . . . - . . . . ? 0.864 68.9 -5.7 -81.6 -43.8 1.6 67.0 -16.2 +8IRA AJ 13 ASN S . > . . . S - . . . . ? -0.802 75.9 -94.5 -142.0 179.3 -0.7 67.6 -19.2 +8IRA AJ 14 SER T . 3 . . . S + . . . . ? 0.624 112.9 72.6 -74.4 -16.6 -1.0 66.9 -22.9 +8IRA AJ 15 GLU T . 3 . . . S - . . . . ? 0.494 116.6 -106.8 -77.6 -6.9 0.5 70.4 -23.7 +8IRA AJ 16 GLY . . < . . . . + . . . . ? 0.215 70.0 141.9 107.1 -12.1 3.9 69.0 -22.7 +8IRA AJ 17 LYS . . . . . . . - . . . . ? -0.334 37.4 -146.9 -64.9 143.5 4.5 70.7 -19.3 +8IRA AJ 18 THR E . . . . . . - M AJ X . ? -0.690 11.2 -156.4 -109.9 160.9 6.2 68.5 -16.7 +8IRA AJ 19 ILE E . . . . . . - M AJ X . ? -0.968 14.3 -139.3 -129.5 147.1 6.0 68.1 -12.9 +8IRA AJ 20 THR E . . . . . . - M AJ X . ? -0.957 19.2 -148.5 -109.6 119.4 8.7 66.7 -10.7 +8IRA AJ 21 LEU . . . . . . . - . . . . ? -0.516 13.8 -120.5 -82.7 151.2 7.5 64.4 -7.9 +8IRA AJ 22 THR . . . > . . . - . . . . ? -0.486 25.8 -112.9 -79.6 159.9 9.2 64.0 -4.5 +8IRA AJ 23 GLU H . . > . . S + . . . . ? 0.873 121.2 55.2 -57.6 -36.3 10.5 60.6 -3.4 +8IRA AJ 24 LYS H . . > . . S + . . . . ? 0.891 105.8 49.6 -67.1 -40.9 7.8 60.9 -0.7 +8IRA AJ 25 GLN H . . > . . S + . . . . ? 0.923 110.4 50.8 -61.5 -47.8 5.0 61.4 -3.3 +8IRA AJ 26 TYR H . . X . . S + . . . . ? 0.939 112.8 45.3 -53.6 -52.0 6.2 58.4 -5.3 +8IRA AJ 27 LEU H . . X . . S + . . . . ? 0.831 112.7 51.2 -64.2 -34.9 6.2 56.2 -2.2 +8IRA AJ 28 GLU H . . X . . S + . . . . ? 0.893 109.1 51.6 -68.5 -40.8 2.8 57.5 -1.1 +8IRA AJ 29 GLY H . . X . . S + . . . . ? 0.844 107.8 52.3 -61.6 -38.2 1.4 56.8 -4.6 +8IRA AJ 30 LYS H . . X . . S + . . . . ? 0.912 111.4 46.5 -62.4 -44.8 2.8 53.2 -4.4 +8IRA AJ 31 ARG H . . X . . S + . . . . ? 0.897 114.4 46.2 -65.9 -45.0 1.0 52.7 -1.1 +8IRA AJ 32 LEU H . . X . . S + . . . . ? 0.842 110.3 54.0 -68.1 -37.0 -2.3 54.1 -2.3 +8IRA AJ 33 PHE H . . X > . S + . . . . ? 0.874 110.6 46.8 -61.2 -41.7 -2.1 52.1 -5.5 +8IRA AJ 34 GLN H . . < 5 . S + . . . . ? 0.882 114.0 49.5 -65.9 -39.0 -1.7 49.0 -3.5 +8IRA AJ 35 TYR H . . < 5 . S + . . . . ? 0.941 130.3 13.0 -65.0 -47.3 -4.6 50.0 -1.2 +8IRA AJ 36 ALA H . . < 5 . S + . . . . ? 0.538 134.7 25.6 -112.7 -12.8 -7.1 50.9 -3.9 +8IRA AJ 37 CYS T . > X 5 . S + . . . . ? 0.707 91.8 79.6 -128.0 -30.9 -5.9 49.5 -7.3 +8IRA AJ 38 ALA H . 3 > < . S + . . . . ? 0.715 78.1 76.1 -66.4 -25.4 -3.5 46.5 -7.1 +8IRA AJ 39 SER H . 3 4 . . S + . . . . ? 0.859 120.4 14.8 -53.5 -36.7 -6.3 44.0 -6.6 +8IRA AJ 40 CYS H . < 4 . . S + . . . . ? 0.733 136.2 42.5 -101.4 -31.6 -7.0 44.4 -10.3 +8IRA AJ 41 HIS H . > < . . . + . . . . ? 0.177 68.2 156.0 -111.7 17.7 -3.9 46.2 -11.5 +8IRA AJ 42 VAL G . > < . . S + . . . . ? -0.137 79.0 3.7 -43.7 129.1 -0.9 44.5 -9.8 +8IRA AJ 43 GLY G . 3 . . . S - . . . . ? 0.573 130.1 -67.1 68.2 10.0 2.2 45.0 -11.9 +8IRA AJ 44 GLY G . < . . . S + . . . . ? 0.481 106.8 108.0 90.3 4.7 0.4 47.2 -14.4 +8IRA AJ 45 ILE . . < . . . . - . . . . ? -0.263 66.8 -122.2 -92.6 -172.2 -2.0 44.6 -16.0 +8IRA AJ 46 THR . . > . . . . - . . . . ? -0.920 14.0 -164.5 -138.0 111.7 -5.7 44.4 -15.5 +8IRA AJ 47 LYS T . 3 . . . S + . . . . ? 0.815 90.7 47.4 -68.8 -32.6 -7.0 41.0 -14.2 +8IRA AJ 48 THR T . 3 . . . S + . . . . ? 0.471 132.7 16.3 -90.1 -3.2 -10.7 41.6 -15.1 +8IRA AJ 49 ASN . . X . . . . - . . . . ? -0.338 66.4 -177.3 -162.2 77.3 -9.8 42.8 -18.7 +8IRA AJ 50 PRO T . 3 . . . S + . . . . ? 0.621 74.4 77.9 -56.5 -15.2 -6.2 41.8 -19.7 +8IRA AJ 51 SER T . 3 . . . S + . . . . ? 0.714 91.7 57.4 -64.9 -24.6 -6.5 43.6 -23.0 +8IRA AJ 52 LEU . . < . . . . + . . . . ? -0.959 69.4 173.3 -114.3 122.6 -6.0 47.0 -21.4 +8IRA AJ 53 ASP . . . . . . . - . . . . ? -0.558 42.0 -112.6 -115.3 -179.8 -2.8 47.6 -19.3 +8IRA AJ 54 LEU . . . . . . . + . . . . ? -0.015 63.8 138.1 -104.5 26.3 -1.3 50.6 -17.6 +8IRA AJ 55 ARG . . . > . . . - . . . . ? -0.483 63.0 -123.8 -65.2 142.8 1.7 50.9 -20.0 +8IRA AJ 56 THR H . . > . . S + . . . . ? 0.873 112.5 54.6 -53.3 -41.3 2.5 54.5 -20.9 +8IRA AJ 57 GLU H . . > . . S + . . . . ? 0.872 109.3 46.4 -64.4 -41.4 2.2 53.6 -24.6 +8IRA AJ 58 THR H . . 4 . . S + . . . . ? 0.898 112.0 50.9 -64.4 -44.4 -1.3 52.2 -24.0 +8IRA AJ 59 LEU H . > < . . S + . . . . ? 0.801 104.1 59.5 -64.7 -31.9 -2.3 55.2 -22.0 +8IRA AJ 60 ALA H . 3 < . . S + . . . . ? 0.839 105.8 47.5 -63.6 -36.8 -1.0 57.5 -24.8 +8IRA AJ 61 LEU T . 3 < . . S + . . . . ? 0.406 90.3 106.5 -90.2 1.6 -3.5 56.0 -27.3 +8IRA AJ 62 ALA S . < . . . S - . . . . ? -0.327 81.3 -92.3 -69.9 161.5 -6.4 56.2 -25.0 +8IRA AJ 63 THR S . . . . . S + . . . . ? -0.987 117.9 20.1 -123.1 118.9 -9.1 58.9 -25.6 +8IRA AJ 64 PRO S . . . . . S - . . . . ? 0.728 118.8 -98.0 -72.2 167.8 -8.6 61.4 -24.2 +8IRA AJ 65 PRO . . . . . . . - . . . . ? -0.169 34.8 -172.4 -54.4 139.9 -4.8 60.7 -23.6 +8IRA AJ 66 ARG . . . . . . . + . . . . ? 0.177 56.0 104.6 -117.1 14.4 -4.0 59.3 -20.2 +8IRA AJ 67 ASP S . . . . . S + . . . . ? -0.152 76.3 57.1 -92.6 40.5 -0.2 59.4 -20.4 +8IRA AJ 68 ASN S . . > . . S - . . . . ? -0.955 93.5 -100.2 -161.1 165.1 -0.0 62.5 -18.1 +8IRA AJ 69 ILE H . . > . . S + . . . . ? 0.903 118.4 47.4 -62.1 -48.2 -1.0 63.5 -14.5 +8IRA AJ 70 GLU H . . > . . S + . . . . ? 0.864 111.3 52.0 -64.7 -37.4 -4.2 65.4 -15.5 +8IRA AJ 71 GLY H . . > . . S + . . . . ? 0.882 114.6 42.0 -62.4 -41.1 -5.4 62.7 -17.8 +8IRA AJ 72 LEU H . . X . . S + . . . . ? 0.829 113.0 52.1 -77.8 -35.8 -5.0 60.0 -15.0 +8IRA AJ 73 VAL H . . X . . S + . . . . ? 0.893 111.0 49.2 -64.9 -41.1 -6.5 62.3 -12.3 +8IRA AJ 74 ASP H . > X . . S + . . . . ? 0.892 107.5 54.9 -62.6 -43.0 -9.5 62.9 -14.6 +8IRA AJ 75 TYR H . 3 < . . S + . . . . ? 0.829 106.0 51.1 -57.9 -37.3 -9.8 59.1 -15.2 +8IRA AJ 76 MET H . 3 < . . S + . . . . ? 0.591 116.0 42.9 -79.9 -13.3 -10.0 58.5 -11.4 +8IRA AJ 77 LYS H . < < . . S + . . . . ? 0.810 138.4 4.0 -90.9 -44.6 -12.7 61.1 -11.2 +8IRA AJ 78 ASN S . . < . . S - . . . . ? -0.631 78.9 -159.4 -147.0 81.1 -14.7 60.1 -14.3 +8IRA AJ 79 PRO . . . . . . . - . . . . ? -0.278 10.3 -173.2 -70.1 147.8 -13.4 56.9 -16.1 +8IRA AJ 80 THR B . . . . . . - N AK Y . ? -0.808 31.7 -89.2 -127.9 167.4 -14.3 56.2 -19.7 +8IRA AJ 81 THR . . > . . . . - . . . . ? -0.212 56.8 -89.9 -65.4 172.1 -13.8 53.3 -22.2 +8IRA AJ 82 TYR T . 3 . . . S + . . . . ? 0.749 129.8 46.5 -64.0 -27.1 -10.6 53.4 -24.2 +8IRA AJ 83 ASP T . 3 . . . S - . . . . ? 0.352 109.5 -121.1 -94.6 2.2 -12.2 55.4 -27.0 +8IRA AJ 84 GLY S . < . . . S + . . . . ? 0.482 80.2 120.3 74.3 4.4 -13.8 57.9 -24.6 +8IRA AJ 85 GLU . . . . . . . + . . . . ? 0.714 69.3 33.7 -77.9 -23.4 -17.3 57.0 -25.9 +8IRA AJ 86 GLN S . . . . . S - . . . . ? -0.992 71.0 -128.2 -141.6 142.5 -18.8 55.7 -22.7 +8IRA AJ 87 GLU B . . . . . . - N AL Y . ? -0.768 20.6 -178.2 -91.7 131.2 -18.6 56.5 -18.9 +8IRA AJ 88 ILE . . > > . . . + . . . . ? 0.125 39.2 124.6 -121.4 20.9 -17.9 53.5 -16.7 +8IRA AJ 89 ALA T . 3 4 . . S + . . . . ? 0.771 70.7 66.1 -52.0 -29.7 -18.0 54.9 -13.2 +8IRA AJ 90 GLU T . 3 4 . . S + . . . . ? 0.695 116.7 23.8 -65.7 -22.6 -20.7 52.3 -12.3 +8IRA AJ 91 VAL T . < 4 . . S + . . . . ? 0.356 118.6 61.1 -125.7 2.2 -18.2 49.4 -12.8 +8IRA AJ 92 HIS S . . < . . S - . . . . ? -0.998 90.8 -103.6 -129.8 132.0 -14.8 51.1 -12.2 +8IRA AJ 93 PRO . . . . . . . + . . . . ? -0.203 56.6 144.9 -55.0 135.6 -13.7 52.8 -9.0 +8IRA AJ 94 SER . . . . . . . - . . . . ? -0.955 63.4 -105.6 -160.6 166.4 -13.8 56.6 -9.1 +8IRA AJ 95 LEU S . > . . . S + . . . . ? 0.827 122.8 57.5 -67.9 -33.0 -14.6 59.6 -6.9 +8IRA AJ 96 ARG T . 3 . . . S + . . . . ? 0.787 114.8 37.4 -64.3 -29.4 -17.9 59.9 -8.9 +8IRA AJ 97 SER T . > > . . S + . . . . ? -0.099 76.2 121.9 -115.7 33.7 -18.7 56.3 -7.8 +8IRA AJ 98 ALA T . < 4 . . . + . . . . ? 0.665 66.2 69.3 -71.1 -17.0 -17.3 56.5 -4.2 +8IRA AJ 99 ASP T . 3 4 . . S + . . . . ? 0.909 113.2 26.6 -63.8 -41.1 -20.7 55.6 -2.9 +8IRA AJ 100 ILE T . < 4 . . S + . . . . ? 0.530 124.4 51.1 -104.4 -9.0 -20.4 52.0 -4.4 +8IRA AJ 101 PHE S . > < . . S - . . . . ? -0.779 73.0 -176.4 -118.8 81.2 -16.6 51.8 -4.3 +8IRA AJ 102 PRO G . > . . . S + . . . . ? 0.732 70.7 71.5 -58.3 -26.5 -16.0 52.9 -0.6 +8IRA AJ 103 LYS G . 3 . . . S + . . . . ? 0.702 92.6 59.3 -62.8 -19.9 -12.2 52.8 -0.8 +8IRA AJ 104 MET G . X . . . S + . . . . ? 0.532 84.5 84.4 -82.6 -9.9 -12.3 55.9 -3.0 +8IRA AJ 105 ARG T . < . . . S + . . . . ? 0.892 89.9 43.4 -64.2 -46.5 -14.1 58.0 -0.3 +8IRA AJ 106 ASN T . 3 . . . S + . . . . ? 0.026 90.1 111.9 -90.5 25.1 -11.1 59.1 1.8 +8IRA AJ 107 LEU . . < . . . . - . . . . ? -0.874 50.7 -160.2 -102.5 132.2 -9.0 60.0 -1.3 +8IRA AJ 108 THR . . . > . . . - . . . . ? -0.540 36.4 -97.1 -100.2 170.4 -8.2 63.6 -1.9 +8IRA AJ 109 GLU H . . > . . S + . . . . ? 0.872 125.7 52.9 -48.7 -44.2 -7.1 65.4 -5.1 +8IRA AJ 110 LYS H . . > . . S + . . . . ? 0.831 104.4 55.8 -70.4 -30.8 -3.5 65.2 -3.9 +8IRA AJ 111 ASP H . . > . . S + . . . . ? 0.878 105.2 52.0 -64.3 -40.7 -3.8 61.4 -3.4 +8IRA AJ 112 LEU H . . X . . S + . . . . ? 0.868 107.5 52.7 -62.9 -38.5 -5.0 61.0 -7.0 +8IRA AJ 113 VAL H . . X . . S + . . . . ? 0.918 109.1 50.0 -62.7 -43.5 -1.9 62.9 -8.2 +8IRA AJ 114 ALA H . . X . . S + . . . . ? 0.939 112.0 46.3 -61.3 -48.7 0.3 60.5 -6.2 +8IRA AJ 115 ILE H . . X . . S + . . . . ? 0.906 113.3 49.9 -58.6 -46.4 -1.3 57.4 -7.6 +8IRA AJ 116 ALA H . . X . . S + . . . . ? 0.898 108.6 53.6 -57.7 -44.4 -1.0 58.9 -11.1 +8IRA AJ 117 GLY H . . X . . S + . . . . ? 0.907 107.0 51.3 -55.9 -46.2 2.6 59.7 -10.5 +8IRA AJ 118 HIS H . . X . . S + . . . . ? 0.904 108.0 52.0 -59.9 -43.5 3.3 56.1 -9.5 +8IRA AJ 119 ILE H . . < . . S + . . . . ? 0.837 114.9 41.7 -63.3 -35.0 1.7 54.8 -12.7 +8IRA AJ 120 LEU H . . < . . S + . . . . ? 0.766 117.8 45.5 -86.4 -26.4 3.8 57.0 -14.9 +8IRA AJ 121 VAL H . > X . . S + . . . . ? 0.885 98.3 69.3 -81.5 -41.8 7.1 56.5 -13.0 +8IRA AJ 122 GLU H . > X . . S + . . . . ? 0.800 94.8 53.2 -54.7 -43.0 7.0 52.8 -12.6 +8IRA AJ 123 PRO H . 3 > . . S + . . . . ? 0.813 102.8 60.2 -60.9 -29.9 7.6 51.8 -16.3 +8IRA AJ 124 LYS H . < 4 . . S + . . . . ? 0.821 116.1 34.3 -64.0 -31.1 10.7 54.1 -16.3 +8IRA AJ 125 ILE H . < < . . S + . . . . ? 0.926 129.2 30.6 -84.7 -55.0 12.0 51.8 -13.5 +8IRA AJ 126 LEU H . > < . . S - . . . . ? 0.572 81.8 -169.2 -89.1 -11.7 10.7 48.3 -14.5 +8IRA AJ 127 GLY G . > < . . S + . . . . ? -0.355 73.5 2.2 58.3 -128.9 10.5 48.6 -18.3 +8IRA AJ 128 ASP G . 3 . . . S + . . . . ? 0.735 120.7 75.2 -64.6 -24.2 8.7 45.7 -19.8 +8IRA AJ 129 LYS G . X > . . S + . . . . ? 0.858 80.4 81.1 -54.6 -38.0 7.9 44.2 -16.4 +8IRA AJ 130 TRP T . < 4 . . S - . . . . ? -0.645 117.8 -4.5 -74.0 117.9 5.3 46.9 -16.0 +8IRA AJ 131 GLY T . 3 4 . . S + . . . . ? 0.471 109.2 107.9 77.9 6.3 2.1 45.8 -17.9 +8IRA AJ 132 GLY T . < 4 . . . - . . . . ? 0.705 65.2 -153.0 -90.2 -23.6 4.1 42.7 -19.1 +8IRA AJ 133 GLY . . > < . . . - . . . . ? -0.272 50.5 -28.1 78.8 -165.4 2.4 40.0 -17.0 +8IRA AJ 134 LYS G . > . . . S + . . . . ? 0.650 122.1 74.9 -62.5 -22.4 3.8 36.7 -15.9 +8IRA AJ 135 VAL G . 3 . . . S + . . . . ? 0.856 104.9 37.7 -58.8 -34.7 6.2 36.4 -18.8 +8IRA AJ 136 TYR G . < . . . . . . . . . ? 0.168 . . -104.9 15.5 8.4 39.0 -17.2 +8IRA AJ 137 TYR . . < . . . . . . . . . ? 0.679 . . -69.0 . 8.1 38.0 -13.5 +8IRA AK 1 THR . . . . . . . . . . . . ? . . . . 176.3 60.2 31.1 -16.6 +8IRA AK 2 ILE . . . . . . . - . . . . ? -0.791 . -157.9 -94.9 91.4 58.4 31.6 -13.3 +8IRA AK 3 THR . . . > . . . - . . . . ? -0.226 30.7 -104.7 -63.1 157.4 54.9 32.4 -14.4 +8IRA AK 4 PRO H . . > . . S + . . . . ? 0.869 123.2 49.4 -47.7 -40.4 52.5 34.4 -12.1 +8IRA AK 5 SER H . . > . . S + . . . . ? 0.795 104.7 55.7 -76.8 -28.0 50.7 31.2 -11.3 +8IRA AK 6 LEU H . . > . . S + . . . . ? 0.922 110.1 47.6 -65.8 -41.1 53.8 29.2 -10.6 +8IRA AK 7 LYS H . . X . . S + . . . . ? 0.946 110.1 52.5 -58.0 -49.9 54.6 31.9 -8.0 +8IRA AK 8 GLY H . . X . . S + . . . . ? 0.883 106.7 54.5 -50.7 -42.6 51.0 31.4 -6.8 +8IRA AK 9 PHE H . . X . . S + . . . . ? 0.904 107.8 47.4 -60.0 -46.3 51.7 27.7 -6.5 +8IRA AK 10 PHE H . . X . . S + . . . . ? 0.876 109.6 53.4 -65.8 -38.6 54.7 28.2 -4.3 +8IRA AK 11 ILE H . . X . . S + . . . . ? 0.943 110.3 48.2 -58.5 -48.5 52.8 30.7 -2.1 +8IRA AK 12 GLY H . . X . . S + . . . . ? 0.912 112.8 48.5 -53.8 -45.5 50.1 28.0 -1.7 +8IRA AK 13 LEU H . . X . . S + . . . . ? 0.928 112.9 46.0 -65.9 -46.8 52.7 25.4 -0.9 +8IRA AK 14 LEU H . . X . . S + . . . . ? 0.876 111.7 53.3 -62.5 -41.2 54.5 27.6 1.7 +8IRA AK 15 SER H . . X . . S + . . . . ? 0.943 110.5 46.1 -58.7 -52.0 51.2 28.6 3.3 +8IRA AK 16 GLY H . . X . . S + . . . . ? 0.901 113.1 49.8 -53.8 -46.2 50.1 24.9 3.7 +8IRA AK 17 ALA H . . X . . S + . . . . ? 0.915 112.0 47.7 -63.1 -43.8 53.5 24.0 5.1 +8IRA AK 18 VAL H . . X . . S + . . . . ? 0.920 112.8 48.2 -64.7 -45.6 53.5 26.8 7.6 +8IRA AK 19 VAL H . . X . . S + . . . . ? 0.951 117.4 41.9 -60.6 -49.6 49.9 26.0 8.7 +8IRA AK 20 LEU H . . X . . S + . . . . ? 0.911 114.0 52.9 -62.0 -45.3 50.8 22.3 9.1 +8IRA AK 21 GLY H . . X . . S + . . . . ? 0.956 111.7 43.7 -53.9 -56.9 54.1 23.1 10.8 +8IRA AK 22 LEU H . . X . . S + . . . . ? 0.916 111.8 55.2 -56.3 -47.6 52.7 25.4 13.4 +8IRA AK 23 THR H . . X . . S + . . . . ? 0.957 113.9 39.3 -49.9 -58.0 49.8 22.9 14.1 +8IRA AK 24 PHE H . . X . . S + . . . . ? 0.874 114.3 54.7 -64.3 -37.5 52.2 20.0 14.8 +8IRA AK 25 ALA H . . X . . S + . . . . ? 0.947 111.4 44.3 -59.4 -50.0 54.7 22.3 16.7 +8IRA AK 26 VAL H . . X . . S + . . . . ? 0.945 115.1 48.2 -60.1 -49.8 51.9 23.5 19.0 +8IRA AK 27 LEU H . . X . . S + . . . . ? 0.889 112.4 47.9 -59.3 -44.2 50.5 19.9 19.5 +8IRA AK 28 ILE H . . X . . S + . . . . ? 0.924 112.3 51.2 -60.8 -44.0 54.0 18.4 20.2 +8IRA AK 29 ALA H . . X . . S + . . . . ? 0.935 112.9 43.8 -59.1 -50.8 54.6 21.3 22.6 +8IRA AK 30 ILE H . . X . . S + . . . . ? 0.886 110.8 54.4 -61.2 -45.5 51.4 20.7 24.6 +8IRA AK 31 SER H . . < . . S + . . . . ? 0.809 108.9 50.1 -60.3 -32.2 51.8 16.9 24.6 +8IRA AK 32 GLN H . . < . . S + . . . . ? 0.865 114.9 42.3 -74.2 -38.3 55.2 17.3 26.2 +8IRA AK 33 ILE H . . < . . S + . . . . ? 0.961 117.1 45.0 -68.5 -53.4 54.0 19.7 28.9 +8IRA AK 34 ASP S . . < . . S + . . . . ? -0.517 84.3 175.9 -97.6 62.8 50.8 17.9 29.8 +8IRA AK 35 LYS P . . . . > . - . . . . ? -0.216 32.2 -111.9 -72.3 158.0 52.0 14.3 29.9 +8IRA AK 36 VAL P . . . . P . - . . . . ? -0.700 29.1 -140.1 -87.4 141.0 50.0 11.2 30.9 +8IRA AK 37 GLN P . . . . < . . . . . . ? -0.799 . . -103.0 144.4 51.0 9.5 34.2 +8IRA AK 38 ARG . . . . . . . . . . . . ? 0.247 . . -136.0 . 51.1 5.7 34.6 +8IRA AL 1 VAL . . . > . . . . . . . . ? . . . . -44.1 5.9 52.8 19.2 +8IRA AL 2 ILE H . . > . . . + . . . . ? 0.825 . 57.1 -63.0 -35.9 8.2 53.3 22.3 +8IRA AL 3 ALA H . . > . . S + . . . . ? 0.944 104.6 49.3 -58.1 -50.6 4.8 53.1 24.1 +8IRA AL 4 GLN H . . > . . S + . . . . ? 0.890 112.9 46.2 -57.1 -45.6 4.2 49.6 22.7 +8IRA AL 5 LEU H . . X . . S + . . . . ? 0.768 112.8 50.6 -72.4 -28.3 7.6 48.3 23.6 +8IRA AL 6 THR H . . X . . S + . . . . ? 0.913 111.3 48.8 -68.7 -45.9 7.3 49.8 27.1 +8IRA AL 7 MET H . . X . . S + . . . . ? 0.931 112.3 46.4 -59.6 -50.7 3.9 48.2 27.6 +8IRA AL 8 ILE H . . X . . S + . . . . ? 0.847 112.0 52.6 -63.7 -35.2 5.0 44.7 26.4 +8IRA AL 9 ALA H . . X . . S + . . . . ? 0.919 112.6 43.9 -64.3 -44.7 8.1 45.0 28.7 +8IRA AL 10 MET H . . X . . S + . . . . ? 0.909 119.9 41.5 -66.9 -45.5 6.0 45.9 31.7 +8IRA AL 11 ILE H . . X . . S + . . . . ? 0.890 114.0 54.6 -66.1 -41.4 3.4 43.1 30.9 +8IRA AL 12 GLY H . . < . . S + . . . . ? 0.766 109.5 46.1 -64.2 -29.2 6.2 40.7 30.0 +8IRA AL 13 ILE H . . X . . S + . . . . ? 0.748 93.3 78.3 -87.8 -25.9 8.0 41.2 33.3 +8IRA AL 14 ALA H . . X . . S + . . . . ? 0.856 92.2 53.1 -50.6 -42.9 4.9 40.8 35.5 +8IRA AL 15 GLY H . > X . . S + . . . . ? 0.976 113.2 38.3 -60.1 -64.2 4.9 37.0 35.1 +8IRA AL 16 PRO H . 3 > . . S + . . . . ? 0.835 111.6 61.9 -55.2 -34.7 8.6 36.3 36.2 +8IRA AL 17 MET H . 3 X . . S + . . . . ? 0.877 102.3 50.6 -59.2 -41.0 8.2 39.0 38.9 +8IRA AL 18 ILE H . < X . . S + . . . . ? 0.953 112.4 45.7 -62.2 -49.8 5.4 36.9 40.5 +8IRA AL 19 ILE H . . X . . S + . . . . ? 0.887 113.9 50.1 -60.6 -40.2 7.6 33.8 40.5 +8IRA AL 20 PHE H . . X . . S + . . . . ? 0.896 108.6 50.9 -65.8 -44.3 10.5 35.7 41.8 +8IRA AL 21 LEU H . . X . . S + . . . . ? 0.881 113.7 45.5 -60.1 -40.8 8.6 37.3 44.7 +8IRA AL 22 LEU H . . < > . S + . . . . ? 0.849 110.9 53.3 -72.8 -35.4 7.3 33.9 45.7 +8IRA AL 23 ALA H . > < 5 . S + . . . . ? 0.918 110.9 46.4 -63.2 -44.9 10.7 32.4 45.4 +8IRA AL 24 VAL H . 3 < 5 . S + . . . . ? 0.921 117.0 41.5 -65.1 -48.3 12.3 35.0 47.7 +8IRA AL 25 ARG T . 3 < 5 . S - . . . . ? 0.100 113.2 -118.0 -90.9 25.9 9.6 34.9 50.4 +8IRA AL 26 ARG T . < . 5 . . + . . . . ? 0.866 51.7 175.3 41.6 59.0 9.5 31.0 50.1 +8IRA AL 27 GLY . . . . < . . - . . . . ? -0.062 46.0 -75.1 -84.1 -172.5 5.8 30.9 49.0 +8IRA AL 28 ASN . . . . . . . . . . . . ? -0.431 . . -90.7 62.5 3.7 27.9 47.9 +8IRA AL 29 LEU . . . . . . . . . . . . ? 0.770 . . -72.3 . 5.2 27.4 44.4 +8IRA AM 1 MET . . . > . . . . . . . . ? . . . . -43.2 -14.6 65.8 31.2 +8IRA AM 2 THR H . . > . . . + . . . . ? 0.854 . 53.5 -54.6 -37.9 -12.5 63.8 28.7 +8IRA AM 3 ILE H . . > . . S + . . . . ? 0.935 105.6 50.3 -58.2 -51.9 -9.7 64.2 31.3 +8IRA AM 4 LEU H . . > . . S + . . . . ? 0.863 112.6 48.5 -61.9 -37.2 -11.9 62.8 34.1 +8IRA AM 5 PHE H . . X . . S + . . . . ? 0.972 111.6 47.6 -60.9 -56.9 -12.7 59.8 31.9 +8IRA AM 6 GLN H . . X . . S + . . . . ? 0.732 112.0 52.0 -59.9 -28.9 -9.1 59.2 31.0 +8IRA AM 7 LEU H . . X . . S + . . . . ? 0.960 109.9 46.6 -68.4 -56.0 -8.1 59.5 34.6 +8IRA AM 8 ALA H . . X . . S + . . . . ? 0.856 115.8 47.5 -53.0 -39.9 -10.7 56.9 35.9 +8IRA AM 9 LEU H . . X . . S + . . . . ? 0.867 112.2 47.6 -73.1 -39.0 -9.6 54.6 33.0 +8IRA AM 10 ALA H . . X . . S + . . . . ? 0.874 109.8 55.0 -67.0 -36.6 -5.9 55.0 33.8 +8IRA AM 11 ALA H . . X . . S + . . . . ? 0.901 108.1 48.9 -59.9 -42.5 -6.7 54.4 37.4 +8IRA AM 12 LEU H . . X . . S + . . . . ? 0.911 110.6 49.9 -62.8 -45.3 -8.4 51.1 36.4 +8IRA AM 13 VAL H . . X . . S + . . . . ? 0.913 114.2 44.8 -60.0 -45.5 -5.4 50.1 34.3 +8IRA AM 14 ILE H . . X . . S + . . . . ? 0.960 113.9 48.4 -64.7 -52.1 -3.0 50.8 37.2 +8IRA AM 15 LEU H . . X . . S + . . . . ? 0.888 111.2 52.1 -53.9 -43.4 -5.2 49.1 39.8 +8IRA AM 16 SER H . . X . . S + . . . . ? 0.928 107.7 50.6 -59.4 -46.8 -5.5 46.1 37.5 +8IRA AM 17 PHE H . . X . . S + . . . . ? 0.820 111.8 48.6 -63.3 -33.1 -1.7 45.8 37.0 +8IRA AM 18 VAL H . . X . . S + . . . . ? 0.901 112.1 48.5 -69.2 -44.0 -1.3 45.9 40.8 +8IRA AM 19 MET H . . X . . S + . . . . ? 0.830 104.8 60.0 -65.5 -34.7 -4.0 43.2 41.3 +8IRA AM 20 VAL H . . < . . S + . . . . ? 0.871 117.5 30.4 -62.0 -40.2 -2.4 41.0 38.7 +8IRA AM 21 ILE H . . X . . S + . . . . ? 0.841 122.1 52.9 -82.2 -38.6 0.9 40.8 40.7 +8IRA AM 22 GLY H . . X . . S + . . . . ? 0.923 101.2 53.2 -67.8 -52.1 -0.8 41.2 44.1 +8IRA AM 23 VAL H . . X . . S + . . . . ? 0.932 110.5 44.3 -57.6 -55.1 -3.4 38.5 44.2 +8IRA AM 24 PRO H . . > . . S + . . . . ? 0.912 115.0 49.1 -58.2 -43.6 -1.2 35.4 43.2 +8IRA AM 25 VAL H . . < . . S + . . . . ? 0.893 114.8 46.0 -61.0 -42.4 1.5 36.5 45.6 +8IRA AM 26 ALA H . > < . . S + . . . . ? 0.935 111.6 50.1 -64.9 -48.9 -1.0 37.0 48.4 +8IRA AM 27 TYR H . 3 < . . S + . . . . ? 0.813 115.7 43.1 -61.1 -31.7 -2.8 33.7 47.7 +8IRA AM 28 ALA T . 3 < . . S + . . . . ? 0.239 95.6 94.2 -102.7 11.8 0.5 31.7 47.8 +8IRA AM 29 SER . . < . . . . - . . . . ? -0.912 56.9 -158.9 -106.7 130.6 2.0 33.4 50.8 +8IRA AM 30 PRO S . . . . . S + . . . . ? 0.998 73.4 50.9 -68.7 -72.5 1.7 31.9 54.3 +8IRA AM 31 GLN S . . . . . S + . . . . ? -0.254 108.1 31.4 -66.1 154.4 2.3 34.8 56.7 +8IRA AM 32 ASP S . . > . . S + . . . . ? 0.921 75.7 131.7 60.2 45.1 0.4 38.1 56.3 +8IRA AM 33 TRP H . . > . . . + . . . . ? 0.806 68.8 53.0 -85.2 -37.5 -2.6 36.3 54.9 +8IRA AM 34 ASP H . . > . . S + . . . . ? 0.779 112.8 43.3 -71.4 -30.7 -5.1 38.1 57.2 +8IRA AM 35 ARG H . . > . . S + . . . . ? 0.897 116.6 49.9 -70.6 -46.7 -3.7 41.5 56.0 +8IRA AM 36 SER H . . X . . S + . . . . ? 0.888 103.7 58.0 -59.4 -44.6 -3.7 40.2 52.5 +8IRA AM 37 LYS H . . X . . S + . . . . ? 0.878 110.2 43.9 -54.8 -42.9 -7.3 38.9 52.6 +8IRA AM 38 GLN H . . X . . S + . . . . ? 0.857 111.0 53.6 -75.4 -34.9 -8.6 42.4 53.5 +8IRA AM 39 LEU H . . X . . S + . . . . ? 0.881 109.6 48.6 -60.7 -42.4 -6.4 44.1 50.9 +8IRA AM 40 ILE H . . X . . S + . . . . ? 0.880 109.0 52.4 -68.5 -39.8 -7.8 41.8 48.2 +8IRA AM 41 PHE H . . X . . S + . . . . ? 0.963 113.3 46.5 -52.1 -53.5 -11.4 42.5 49.3 +8IRA AM 42 LEU H . . X . . S + . . . . ? 0.936 112.6 47.2 -51.9 -58.7 -10.5 46.2 49.0 +8IRA AM 43 GLY H . . X . . S + . . . . ? 0.905 111.5 52.6 -54.0 -46.3 -8.9 45.9 45.6 +8IRA AM 44 SER H . . X . . S + . . . . ? 0.939 111.5 44.2 -54.6 -56.2 -11.8 43.9 44.3 +8IRA AM 45 GLY H . . X . . S + . . . . ? 0.910 115.0 49.8 -54.2 -47.3 -14.4 46.4 45.4 +8IRA AM 46 LEU H . . X . . S + . . . . ? 0.859 111.0 49.8 -58.1 -43.2 -12.3 49.3 44.0 +8IRA AM 47 TRP H . . X . . S + . . . . ? 0.932 112.0 46.0 -64.4 -49.4 -11.9 47.5 40.7 +8IRA AM 48 ILE H . . X . . S + . . . . ? 0.890 112.6 52.9 -58.6 -42.8 -15.6 46.8 40.3 +8IRA AM 49 ALA H . . X . . S + . . . . ? 0.920 109.3 46.9 -60.7 -48.5 -16.3 50.4 41.3 +8IRA AM 50 LEU H . . X . . S + . . . . ? 0.856 109.4 55.5 -62.0 -38.7 -14.0 51.8 38.7 +8IRA AM 51 VAL H . . X . . S + . . . . ? 0.949 111.8 42.4 -59.0 -51.2 -15.4 49.5 36.0 +8IRA AM 52 LEU H . . X . . S + . . . . ? 0.920 114.5 52.4 -62.7 -41.9 -18.9 50.8 36.7 +8IRA AM 53 VAL H . . X . . S + . . . . ? 0.939 113.1 42.6 -58.7 -52.8 -17.6 54.4 36.9 +8IRA AM 54 VAL H . . X . . S + . . . . ? 0.884 111.8 57.5 -57.3 -42.1 -15.8 54.2 33.5 +8IRA AM 55 GLY H . . < . . S + . . . . ? 0.850 113.3 37.7 -58.2 -39.5 -18.9 52.4 32.1 +8IRA AM 56 VAL H . > < . . S + . . . . ? 0.886 114.0 54.8 -80.1 -42.6 -21.2 55.3 33.0 +8IRA AM 57 LEU H . 3 < . . S + . . . . ? 0.708 84.9 81.5 -64.8 -23.5 -18.7 58.0 32.1 +8IRA AM 58 ASN T . 3 X . . S + . . . . ? 0.842 80.9 88.2 -47.1 -33.1 -18.4 56.4 28.7 +8IRA AM 59 PHE T . < 4 . . S + . . . . ? -0.901 91.3 26.5 -103.4 98.9 -21.5 58.5 28.4 +8IRA AM 60 PHE T . . 4 . . S + . . . . ? 0.269 108.5 51.6 -113.6 -151.1 -20.3 61.1 27.6 +8IRA AM 61 VAL T . . 4 . . . . . . . . ? 0.018 . . 88.3 -20.2 -17.1 61.6 25.7 +8IRA AM 62 VAL . . . < . . . . . . . . ? 0.654 . . -115.6 . -18.6 59.1 23.3 +# +loop_ +_struct_conf_type.id +_struct_conf_type.criteria +HELX_RH_AL_P DSSP +TURN_TY1_P DSSP +BEND DSSP +HELX_LH_PP_P DSSP +STRN DSSP +HELX_RH_3T_P DSSP +HELX_RH_PI_P DSSP +# +loop_ +_struct_conf.id +_struct_conf.conf_type_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +HELX_RH_AL_P1 HELX_RH_AL_P LEU A 3 ? VAL A 11 ? LEU A 13 VAL A 21 +TURN_TY1_P1 TURN_TY1_P THR A 12 ? THR A 12 ? THR A 22 THR A 22 +TURN_TY1_P2 TURN_TY1_P THR A 14 ? ASP A 15 ? THR A 24 ASP A 25 +BEND1 BEND ASN A 16 ? LEU A 18 ? ASN A 26 LEU A 28 +HELX_RH_AL_P2 HELX_RH_AL_P GLY A 21 ? ALA A 44 ? GLY A 31 ALA A 54 +HELX_LH_PP_P1 HELX_LH_PP_P ALA A 45 ? PRO A 47 ? ALA A 55 PRO A 57 +STRN1 STRN VAL A 48 ? VAL A 48 ? VAL A 58 VAL A 58 +TURN_TY1_P3 TURN_TY1_P ILE A 50 ? ASP A 51 ? ILE A 60 ASP A 61 +BEND2 BEND GLY A 52 ? ARG A 54 ? GLY A 62 ARG A 64 +STRN2 STRN VAL A 57 ? VAL A 57 ? VAL A 67 VAL A 67 +BEND3 BEND SER A 60 ? SER A 60 ? SER A 70 SER A 70 +HELX_RH_3T_P1 HELX_RH_3T_P LEU A 61 ? TYR A 63 ? LEU A 71 TYR A 73 +TURN_TY1_P4 TURN_TY1_P GLY A 64 ? GLY A 64 ? GLY A 74 GLY A 74 +TURN_TY1_P5 TURN_TY1_P ILE A 67 ? THR A 69 ? ILE A 77 THR A 79 +STRN3 STRN ALA A 71 ? VAL A 72 ? ALA A 81 VAL A 82 +HELX_LH_PP_P2 HELX_LH_PP_P VAL A 73 ? SER A 76 ? VAL A 83 SER A 86 +TURN_TY1_P6 TURN_TY1_P ASN A 77 ? LEU A 81 ? ASN A 87 LEU A 91 +HELX_RH_3T_P2 HELX_RH_3T_P ILE A 86 ? GLU A 88 ? ILE A 96 GLU A 98 +BEND4 BEND ALA A 89 ? SER A 91 ? ALA A 99 SER A 101 +HELX_RH_AL_P3 HELX_RH_AL_P LEU A 92 ? TYR A 97 ? LEU A 102 TYR A 107 +TURN_TY1_P7 TURN_TY1_P ASN A 98 ? GLY A 99 ? ASN A 108 GLY A 109 +HELX_RH_AL_P4 HELX_RH_AL_P GLY A 100 ? LEU A 127 ? GLY A 110 LEU A 137 +TURN_TY1_P8 TURN_TY1_P GLY A 128 ? GLY A 128 ? GLY A 138 GLY A 138 +BEND5 BEND PRO A 131 ? PRO A 131 ? PRO A 141 PRO A 141 +TURN_TY1_P9 TURN_TY1_P TRP A 132 ? TRP A 132 ? TRP A 142 TRP A 142 +HELX_RH_AL_P5 HELX_RH_AL_P ILE A 133 ? PHE A 145 ? ILE A 143 PHE A 155 +HELX_RH_PI_P1 HELX_RH_PI_P ALA A 146 ? ILE A 150 ? ALA A 156 ILE A 160 +HELX_RH_AL_P6 HELX_RH_AL_P TYR A 151 ? GLN A 155 ? TYR A 161 GLN A 165 +TURN_TY1_P10 TURN_TY1_P GLY A 156 ? GLY A 156 ? GLY A 166 GLY A 166 +HELX_RH_3T_P3 HELX_RH_3T_P PHE A 158 ? ASP A 160 ? PHE A 168 ASP A 170 +BEND6 BEND GLY A 161 ? GLY A 161 ? GLY A 171 GLY A 171 +HELX_LH_PP_P3 HELX_LH_PP_P MET A 162 ? PRO A 163 ? MET A 172 PRO A 173 +STRN4 STRN LEU A 164 ? GLY A 165 ? LEU A 174 GLY A 175 +HELX_RH_AL_P7 HELX_RH_AL_P ILE A 166 ? HIS A 180 ? ILE A 176 HIS A 190 +HELX_RH_3T_P4 HELX_RH_3T_P ILE A 182 ? MET A 184 ? ILE A 192 MET A 194 +HELX_RH_AL_P8 HELX_RH_AL_P PRO A 186 ? SER A 211 ? PRO A 196 SER A 221 +TURN_TY1_P11 TURN_TY1_P SER A 212 ? SER A 212 ? SER A 222 SER A 222 +STRN5 STRN LEU A 213 ? ILE A 214 ? LEU A 223 ILE A 224 +BEND7 BEND THR A 217 ? THR A 217 ? THR A 227 THR A 227 +TURN_TY1_P12 TURN_TY1_P GLU A 219 ? THR A 220 ? GLU A 229 THR A 230 +BEND8 BEND GLU A 221 ? GLU A 221 ? GLU A 231 GLU A 231 +HELX_RH_3T_P5 HELX_RH_3T_P ALA A 223 ? GLY A 226 ? ALA A 233 GLY A 236 +BEND9 BEND TYR A 227 ? TYR A 227 ? TYR A 237 TYR A 237 +TURN_TY1_P13 TURN_TY1_P PHE A 229 ? GLY A 230 ? PHE A 239 GLY A 240 +BEND10 BEND GLU A 232 ? GLU A 232 ? GLU A 242 GLU A 242 +STRN6 STRN GLU A 233 ? GLU A 233 ? GLU A 243 GLU A 243 +BEND11 BEND THR A 235 ? THR A 235 ? THR A 245 THR A 245 +STRN7 STRN TYR A 236 ? TYR A 236 ? TYR A 246 TYR A 246 +HELX_RH_AL_P9 HELX_RH_AL_P ILE A 238 ? LEU A 248 ? ILE A 248 LEU A 258 +BEND12 BEND ILE A 249 ? ILE A 249 ? ILE A 259 ILE A 259 +HELX_RH_3T_P6 HELX_RH_3T_P GLN A 251 ? ALA A 253 ? GLN A 261 ALA A 263 +BEND13 BEND SER A 254 ? SER A 254 ? SER A 264 SER A 264 +HELX_RH_AL_P10 HELX_RH_AL_P SER A 258 ? MET A 283 ? SER A 268 MET A 293 +TURN_TY1_P14 TURN_TY1_P ALA A 284 ? ASN A 286 ? ALA A 294 ASN A 296 +STRN8 STRN LEU A 287 ? ASN A 288 ? LEU A 297 ASN A 298 +BEND14 BEND GLY A 289 ? GLY A 289 ? GLY A 299 GLY A 299 +TURN_TY1_P15 TURN_TY1_P ASN A 293 ? HIS A 294 ? ASN A 303 HIS A 304 +STRN9 STRN ILE A 297 ? ILE A 297 ? ILE A 307 ILE A 307 +BEND15 BEND ALA A 299 ? GLY A 301 ? ALA A 309 GLY A 311 +STRN10 STRN VAL A 303 ? VAL A 303 ? VAL A 313 VAL A 313 +HELX_RH_AL_P11 HELX_RH_AL_P TRP A 307 ? MET A 321 ? TRP A 317 MET A 331 +TURN_TY1_P16 TURN_TY1_P HIS A 322 ? ASN A 325 ? HIS A 332 ASN A 335 +BEND16 BEND ALA A 326 ? ALA A 326 ? ALA A 336 ALA A 336 +BEND17 BEND PHE A 329 ? PRO A 330 ? PHE A 339 PRO A 340 +STRN11 STRN LEU B 2 ? LEU B 2 ? LEU B 3 LEU B 3 +HELX_RH_3T_P7 HELX_RH_3T_P TRP B 4 ? LEU B 11 ? TRP B 5 LEU B 12 +TURN_TY1_P17 TURN_TY1_P ILE B 12 ? ASN B 13 ? ILE B 13 ASN B 14 +HELX_RH_AL_P12 HELX_RH_AL_P PRO B 15 ? THR B 43 ? PRO B 16 THR B 44 +BEND18 BEND SER B 47 ? SER B 47 ? SER B 48 SER B 48 +TURN_TY1_P18 TURN_TY1_P PRO B 49 ? LEU B 51 ? PRO B 50 LEU B 52 +BEND19 BEND ASN B 52 ? ASN B 52 ? ASN B 53 ASN B 53 +HELX_RH_3T_P8 HELX_RH_3T_P MET B 54 ? ARG B 56 ? MET B 55 ARG B 57 +TURN_TY1_P19 TURN_TY1_P GLN B 57 ? GLY B 58 ? GLN B 58 GLY B 59 +BEND20 BEND PHE B 60 ? VAL B 61 ? PHE B 61 VAL B 62 +HELX_RH_AL_P13 HELX_RH_AL_P LEU B 62 ? ARG B 67 ? LEU B 63 ARG B 68 +TURN_TY1_P20 TURN_TY1_P LEU B 68 ? GLY B 69 ? LEU B 69 GLY B 70 +STRN12 STRN GLY B 72 ? GLY B 72 ? GLY B 73 GLY B 73 +TURN_TY1_P21 TURN_TY1_P TRP B 74 ? SER B 75 ? TRP B 75 SER B 76 +BEND21 BEND GLY B 76 ? GLY B 76 ? GLY B 77 GLY B 77 +STRN13 STRN TRP B 77 ? SER B 78 ? TRP B 78 SER B 79 +TURN_TY1_P22 TURN_TY1_P ILE B 79 ? THR B 80 ? ILE B 80 THR B 81 +BEND22 BEND GLY B 81 ? GLY B 81 ? GLY B 82 GLY B 82 +STRN14 STRN THR B 83 ? THR B 83 ? THR B 84 THR B 84 +BEND23 BEND GLY B 84 ? GLY B 84 ? GLY B 85 GLY B 85 +BEND24 BEND PHE B 89 ? PHE B 89 ? PHE B 90 PHE B 90 +BEND25 BEND SER B 91 ? SER B 91 ? SER B 92 SER B 92 +HELX_RH_AL_P14 HELX_RH_AL_P PHE B 92 ? VAL B 115 ? PHE B 93 VAL B 116 +TURN_TY1_P23 TURN_TY1_P TYR B 116 ? TYR B 116 ? TYR B 117 TYR B 117 +STRN15 STRN LEU B 119 ? LEU B 119 ? LEU B 120 LEU B 120 +HELX_RH_3T_P9 HELX_RH_3T_P GLU B 120 ? PHE B 122 ? GLU B 121 PHE B 123 +STRN16 STRN ARG B 123 ? ARG B 123 ? ARG B 124 ARG B 124 +TURN_TY1_P24 TURN_TY1_P PRO B 125 ? THR B 127 ? PRO B 126 THR B 128 +BEND26 BEND GLU B 129 ? GLU B 129 ? GLU B 130 GLU B 130 +STRN17 STRN PRO B 130 ? PRO B 130 ? PRO B 131 PRO B 131 +HELX_RH_AL_P15 HELX_RH_AL_P LEU B 134 ? GLY B 151 ? LEU B 135 GLY B 152 +HELX_RH_PI_P2 HELX_RH_PI_P PHE B 152 ? LEU B 157 ? PHE B 153 LEU B 158 +TURN_TY1_P25 TURN_TY1_P THR B 158 ? THR B 158 ? THR B 159 THR B 159 +BEND27 BEND GLY B 159 ? GLY B 159 ? GLY B 160 GLY B 160 +TURN_TY1_P26 TURN_TY1_P LEU B 160 ? PHE B 161 ? LEU B 161 PHE B 162 +BEND28 BEND GLY B 162 ? GLY B 162 ? GLY B 163 GLY B 163 +STRN18 STRN MET B 165 ? VAL B 167 ? MET B 166 VAL B 168 +TURN_TY1_P27 TURN_TY1_P PRO B 170 ? TYR B 171 ? PRO B 171 TYR B 172 +BEND29 BEND GLY B 172 ? THR B 174 ? GLY B 173 THR B 175 +STRN19 STRN SER B 176 ? GLN B 178 ? SER B 177 GLN B 179 +BEND30 BEND GLY B 185 ? GLY B 185 ? GLY B 186 GLY B 186 +HELX_RH_3T_P10 HELX_RH_3T_P PRO B 186 ? PHE B 189 ? PRO B 187 PHE B 190 +TURN_TY1_P28 TURN_TY1_P PRO B 191 ? TYR B 192 ? PRO B 192 TYR B 193 +HELX_RH_AL_P16 HELX_RH_AL_P PRO B 194 ? LEU B 217 ? PRO B 195 LEU B 218 +BEND31 BEND VAL B 218 ? VAL B 218 ? VAL B 219 VAL B 219 +HELX_LH_PP_P4 HELX_LH_PP_P ARG B 219 ? PRO B 220 ? ARG B 220 PRO B 221 +STRN20 STRN PRO B 221 ? PRO B 221 ? PRO B 222 PRO B 222 +HELX_RH_AL_P17 HELX_RH_AL_P GLN B 222 ? LEU B 228 ? GLN B 223 LEU B 229 +TURN_TY1_P29 TURN_TY1_P ARG B 229 ? GLY B 231 ? ARG B 230 GLY B 232 +BEND32 BEND ASN B 232 ? ASN B 232 ? ASN B 233 ASN B 233 +HELX_RH_AL_P18 HELX_RH_AL_P ILE B 233 ? TYR B 257 ? ILE B 234 TYR B 258 +TURN_TY1_P30 TURN_TY1_P ALA B 260 ? THR B 261 ? ALA B 261 THR B 262 +BEND33 BEND THR B 262 ? THR B 262 ? THR B 263 THR B 263 +HELX_RH_AL_P19 HELX_RH_AL_P ILE B 264 ? PHE B 267 ? ILE B 265 PHE B 268 +HELX_RH_AL_P20 HELX_RH_AL_P ARG B 271 ? ASP B 275 ? ARG B 272 ASP B 276 +TURN_TY1_P31 TURN_TY1_P SER B 276 ? SER B 277 ? SER B 277 SER B 278 +HELX_RH_AL_P21 HELX_RH_AL_P TYR B 278 ? ALA B 292 ? TYR B 279 ALA B 293 +TURN_TY1_P32 TURN_TY1_P SER B 293 ? GLY B 294 ? SER B 294 GLY B 295 +HELX_RH_AL_P22 HELX_RH_AL_P LEU B 297 ? SER B 302 ? LEU B 298 SER B 303 +TURN_TY1_P33 TURN_TY1_P ALA B 303 ? ALA B 303 ? ALA B 304 ALA B 304 +BEND34 BEND ILE B 304 ? ILE B 304 ? ILE B 305 ILE B 305 +HELX_RH_AL_P23 HELX_RH_AL_P GLU B 306 ? TYR B 311 ? GLU B 307 TYR B 312 +BEND35 BEND ASP B 312 ? ASP B 312 ? ASP B 313 ASP B 313 +STRN21 STRN TYR B 313 ? TYR B 313 ? TYR B 314 TYR B 314 +HELX_RH_3T_P11 HELX_RH_3T_P ILE B 314 ? ASN B 316 ? ILE B 315 ASN B 317 +TURN_TY1_P34 TURN_TY1_P PRO B 318 ? ALA B 319 ? PRO B 319 ALA B 320 +BEND36 BEND LYS B 320 ? LYS B 320 ? LYS B 321 LYS B 321 +STRN22 STRN GLY B 322 ? GLY B 322 ? GLY B 323 GLY B 323 +TURN_TY1_P35 TURN_TY1_P LEU B 323 ? PHE B 324 ? LEU B 324 PHE B 325 +BEND37 BEND GLY B 327 ? GLY B 327 ? GLY B 328 GLY B 328 +HELX_RH_3T_P12 HELX_RH_3T_P MET B 329 ? LYS B 331 ? MET B 330 LYS B 332 +TURN_TY1_P36 TURN_TY1_P GLY B 332 ? ASP B 333 ? GLY B 333 ASP B 334 +STRN23 STRN ILE B 335 ? ARG B 346 ? ILE B 336 ARG B 347 +TURN_TY1_P37 TURN_TY1_P LYS B 348 ? GLU B 349 ? LYS B 349 GLU B 350 +STRN24 STRN GLU B 352 ? VAL B 355 ? GLU B 353 VAL B 356 +HELX_LH_PP_P5 HELX_LH_PP_P ARG B 356 ? PRO B 359 ? ARG B 357 PRO B 360 +TURN_TY1_P38 TURN_TY1_P ALA B 360 ? PHE B 361 ? ALA B 361 PHE B 362 +BEND38 BEND GLU B 363 ? SER B 364 ? GLU B 364 SER B 365 +STRN25 STRN ILE B 368 ? THR B 370 ? ILE B 369 THR B 371 +TURN_TY1_P39 TURN_TY1_P LYS B 372 ? ASN B 373 ? LYS B 373 ASN B 374 +STRN26 STRN VAL B 376 ? ASP B 379 ? VAL B 377 ASP B 380 +BEND39 BEND PHE B 382 ? ARG B 383 ? PHE B 383 ARG B 384 +TURN_TY1_P40 TURN_TY1_P ALA B 385 ? GLU B 386 ? ALA B 386 GLU B 387 +BEND40 BEND LYS B 388 ? TYR B 389 ? LYS B 389 TYR B 390 +HELX_RH_AL_P24 HELX_RH_AL_P PHE B 391 ? GLN B 394 ? PHE B 392 GLN B 395 +TURN_TY1_P41 TURN_TY1_P GLY B 395 ? GLY B 395 ? GLY B 396 GLY B 396 +STRN27 STRN THR B 397 ? TYR B 401 ? THR B 398 TYR B 402 +BEND41 BEND GLY B 402 ? GLY B 403 ? GLY B 403 GLY B 404 +TURN_TY1_P42 TURN_TY1_P GLU B 404 ? GLY B 407 ? GLU B 405 GLY B 408 +STRN28 STRN THR B 409 ? PHE B 410 ? THR B 410 PHE B 411 +BEND42 BEND ASP B 412 ? ASP B 412 ? ASP B 413 ASP B 413 +HELX_RH_AL_P25 HELX_RH_AL_P PRO B 413 ? ALA B 423 ? PRO B 414 ALA B 424 +TURN_TY1_P43 TURN_TY1_P ILE B 424 ? PHE B 425 ? ILE B 425 PHE B 426 +STRN29 STRN GLY B 426 ? GLY B 426 ? GLY B 427 GLY B 427 +BEND43 BEND GLU B 427 ? GLU B 427 ? GLU B 428 GLU B 428 +STRN30 STRN ILE B 428 ? ASP B 432 ? ILE B 429 ASP B 433 +TURN_TY1_P44 TURN_TY1_P GLU B 434 ? ASN B 437 ? GLU B 435 ASN B 438 +BEND44 BEND GLY B 440 ? GLY B 440 ? GLY B 441 GLY B 441 +HELX_RH_AL_P26 HELX_RH_AL_P PRO B 446 ? LEU B 473 ? PRO B 447 LEU B 474 +TURN_TY1_P45 TURN_TY1_P PHE B 474 ? PHE B 474 ? PHE B 475 PHE B 475 +HELX_RH_3T_P13 HELX_RH_3T_P ARG B 475 ? VAL B 477 ? ARG B 476 VAL B 478 +TURN_TY1_P46 TURN_TY1_P PHE B 478 ? SER B 479 ? PHE B 479 SER B 480 +STRN31 STRN ILE B 481 ? ILE B 481 ? ILE B 482 ILE B 482 +TURN_TY1_P47 TURN_TY1_P PRO B 483 ? GLU B 484 ? PRO B 484 GLU B 485 +HELX_RH_AL_P27 HELX_RH_AL_P PRO B 487 ? VAL B 490 ? PRO B 488 VAL B 491 +BEND45 BEND GLU B 491 ? PHE B 494 ? GLU B 492 PHE B 495 +BEND46 BEND GLN B 496 ? GLN B 496 ? GLN B 497 GLN B 497 +STRN32 STRN LYS B 497 ? LYS B 497 ? LYS B 498 LYS B 498 +TURN_TY1_P48 TURN_TY1_P VAL B 498 ? GLY B 499 ? VAL B 499 GLY B 500 +HELX_RH_3T_P14 HELX_RH_3T_P VAL B 501 ? THR B 503 ? VAL B 502 THR B 504 +TURN_TY1_P49 TURN_TY1_P THR C 2 ? ASN C 3 ? THR C 24 ASN C 25 +BEND47 BEND ASP C 5 ? ASP C 5 ? ASP C 27 ASP C 27 +HELX_RH_AL_P28 HELX_RH_AL_P GLN C 6 ? SER C 9 ? GLN C 28 SER C 31 +BEND48 BEND GLY C 10 ? GLY C 10 ? GLY C 32 GLY C 32 +HELX_RH_3T_P15 HELX_RH_3T_P TRP C 13 ? LEU C 20 ? TRP C 35 LEU C 42 +TURN_TY1_P50 TURN_TY1_P ILE C 21 ? ASN C 22 ? ILE C 43 ASN C 44 +HELX_RH_AL_P29 HELX_RH_AL_P SER C 24 ? ALA C 51 ? SER C 46 ALA C 73 +TURN_TY1_P51 TURN_TY1_P HIS C 52 ? HIS C 52 ? HIS C 74 HIS C 74 +TURN_TY1_P52 TURN_TY1_P PRO C 55 ? GLU C 56 ? PRO C 77 GLU C 78 +BEND49 BEND LYS C 57 ? LYS C 57 ? LYS C 79 LYS C 79 +HELX_RH_3T_P16 HELX_RH_3T_P MET C 59 ? GLU C 61 ? MET C 81 GLU C 83 +TURN_TY1_P53 TURN_TY1_P GLN C 62 ? GLY C 63 ? GLN C 84 GLY C 85 +BEND50 BEND ILE C 65 ? LEU C 66 ? ILE C 87 LEU C 88 +HELX_RH_AL_P30 HELX_RH_AL_P ILE C 67 ? THR C 72 ? ILE C 89 THR C 94 +TURN_TY1_P54 TURN_TY1_P LEU C 73 ? GLY C 74 ? LEU C 95 GLY C 96 +BEND51 BEND TRP C 75 ? GLY C 76 ? TRP C 97 GLY C 98 +STRN33 STRN VAL C 77 ? VAL C 77 ? VAL C 99 VAL C 99 +HELX_RH_3T_P17 HELX_RH_3T_P PRO C 79 ? GLY C 81 ? PRO C 101 GLY C 103 +STRN34 STRN VAL C 83 ? VAL C 83 ? VAL C 105 VAL C 105 +BEND52 BEND THR C 86 ? THR C 86 ? THR C 108 THR C 108 +HELX_RH_AL_P31 HELX_RH_AL_P PHE C 87 ? VAL C 108 ? PHE C 109 VAL C 130 +HELX_RH_PI_P3 HELX_RH_PI_P TYR C 109 ? ARG C 113 ? TYR C 131 ARG C 135 +BEND53 BEND GLY C 114 ? GLY C 114 ? GLY C 136 GLY C 136 +BEND54 BEND GLU C 116 ? GLU C 116 ? GLU C 138 GLU C 138 +BEND55 BEND LEU C 118 ? LEU C 118 ? LEU C 140 LEU C 140 +TURN_TY1_P55 TURN_TY1_P GLU C 119 ? TYR C 121 ? GLU C 141 TYR C 143 +TURN_TY1_P56 TURN_TY1_P SER C 123 ? PHE C 125 ? SER C 145 PHE C 147 +TURN_TY1_P57 TURN_TY1_P TRP C 129 ? LYS C 130 ? TRP C 151 LYS C 152 +HELX_RH_AL_P32 HELX_RH_AL_P LYS C 132 ? PHE C 159 ? LYS C 154 PHE C 181 +BEND56 BEND PHE C 160 ? GLY C 161 ? PHE C 182 GLY C 183 +STRN35 STRN LEU C 163 ? ASP C 165 ? LEU C 185 ASP C 187 +TURN_TY1_P58 TURN_TY1_P THR C 166 ? TRP C 167 ? THR C 188 TRP C 189 +TURN_TY1_P59 TURN_TY1_P PRO C 169 ? GLY C 171 ? PRO C 191 GLY C 193 +BEND57 BEND GLY C 172 ? GLY C 172 ? GLY C 194 GLY C 194 +STRN36 STRN ASP C 173 ? ARG C 175 ? ASP C 195 ARG C 197 +BEND58 BEND THR C 178 ? ASN C 179 ? THR C 200 ASN C 201 +HELX_RH_AL_P33 HELX_RH_AL_P PRO C 184 ? ILE C 187 ? PRO C 206 ILE C 209 +HELX_RH_3T_P18 HELX_RH_3T_P PHE C 188 ? LEU C 192 ? PHE C 210 LEU C 214 +BEND59 BEND LYS C 193 ? LYS C 193 ? LYS C 215 LYS C 215 +BEND60 BEND PRO C 195 ? PHE C 196 ? PRO C 217 PHE C 218 +TURN_TY1_P60 TURN_TY1_P GLY C 197 ? GLU C 199 ? GLY C 219 GLU C 221 +HELX_RH_3T_P19 HELX_RH_3T_P TRP C 201 ? SER C 204 ? TRP C 223 SER C 226 +HELX_RH_AL_P34 HELX_RH_AL_P LEU C 208 ? LEU C 231 ? LEU C 230 LEU C 253 +HELX_RH_AL_P35 HELX_RH_AL_P GLY C 236 ? ARG C 239 ? GLY C 258 ARG C 261 +TURN_TY1_P61 TURN_TY1_P ARG C 240 ? ALA C 241 ? ARG C 262 ALA C 263 +BEND61 BEND PHE C 242 ? PHE C 242 ? PHE C 264 PHE C 264 +BEND62 BEND SER C 245 ? SER C 245 ? SER C 267 SER C 267 +HELX_RH_AL_P36 HELX_RH_AL_P GLY C 246 ? PHE C 270 ? GLY C 268 PHE C 292 +TURN_TY1_P62 TURN_TY1_P THR C 273 ? PRO C 276 ? THR C 295 PRO C 298 +HELX_RH_AL_P37 HELX_RH_AL_P SER C 277 ? TYR C 280 ? SER C 299 TYR C 302 +HELX_RH_AL_P38 HELX_RH_AL_P GLY C 284 ? LYS C 301 ? GLY C 306 LYS C 323 +TURN_TY1_P63 TURN_TY1_P LEU C 302 ? GLY C 303 ? LEU C 324 GLY C 325 +TURN_TY1_P64 TURN_TY1_P VAL C 306 ? SER C 308 ? VAL C 328 SER C 330 +STRN37 STRN GLN C 310 ? GLN C 310 ? GLN C 332 GLN C 332 +TURN_TY1_P65 TURN_TY1_P PRO C 312 ? THR C 313 ? PRO C 334 THR C 335 +BEND63 BEND GLY C 314 ? LEU C 315 ? GLY C 336 LEU C 337 +STRN38 STRN GLY C 316 ? GLY C 316 ? GLY C 338 GLY C 338 +BEND64 BEND LYS C 317 ? TYR C 318 ? LYS C 339 TYR C 340 +STRN39 STRN LEU C 319 ? ARG C 321 ? LEU C 341 ARG C 343 +TURN_TY1_P66 TURN_TY1_P PRO C 323 ? THR C 324 ? PRO C 345 THR C 346 +STRN40 STRN ILE C 327 ? PHE C 329 ? ILE C 349 PHE C 351 +BEND65 BEND GLY C 331 ? GLY C 331 ? GLY C 353 GLY C 353 +HELX_RH_3T_P20 HELX_RH_3T_P GLU C 332 ? PHE C 336 ? GLU C 354 PHE C 358 +TURN_TY1_P67 TURN_TY1_P TRP C 337 ? ASP C 338 ? TRP C 359 ASP C 360 +TURN_TY1_P68 TURN_TY1_P PRO C 342 ? LEU C 344 ? PRO C 364 LEU C 366 +HELX_RH_3T_P21 HELX_RH_3T_P GLU C 345 ? LEU C 347 ? GLU C 367 LEU C 369 +STRN41 STRN ARG C 348 ? GLY C 349 ? ARG C 370 GLY C 371 +TURN_TY1_P69 TURN_TY1_P PRO C 350 ? ASN C 351 ? PRO C 372 ASN C 373 +STRN42 STRN GLY C 352 ? LEU C 353 ? GLY C 374 LEU C 375 +HELX_RH_AL_P39 HELX_RH_AL_P LEU C 355 ? ASN C 360 ? LEU C 377 ASN C 382 +HELX_RH_AL_P40 HELX_RH_AL_P PRO C 364 ? MET C 374 ? PRO C 386 MET C 396 +TURN_TY1_P70 TURN_TY1_P THR C 375 ? HIS C 376 ? THR C 397 HIS C 398 +BEND66 BEND PRO C 378 ? PRO C 378 ? PRO C 400 PRO C 400 +STRN43 STRN GLY C 380 ? SER C 381 ? GLY C 402 SER C 403 +TURN_TY1_P71 TURN_TY1_P LEU C 382 ? ASN C 383 ? LEU C 404 ASN C 405 +STRN44 STRN VAL C 385 ? GLY C 386 ? VAL C 407 GLY C 408 +BEND67 BEND GLY C 387 ? VAL C 388 ? GLY C 409 VAL C 410 +TURN_TY1_P72 TURN_TY1_P ALA C 389 ? THR C 390 ? ALA C 411 THR C 412 +HELX_LH_PP_P6 HELX_LH_PP_P GLU C 391 ? ILE C 392 ? GLU C 413 ILE C 414 +BEND68 BEND ASN C 393 ? ASN C 393 ? ASN C 415 ASN C 415 +STRN45 STRN ASN C 396 ? ASN C 396 ? ASN C 418 ASN C 418 +HELX_RH_AL_P41 HELX_RH_AL_P PRO C 400 ? ALA C 431 ? PRO C 422 ALA C 453 +TURN_TY1_P73 TURN_TY1_P GLY C 432 ? GLY C 432 ? GLY C 454 GLY C 454 +TURN_TY1_P74 TURN_TY1_P GLU C 434 ? LYS C 435 ? GLU C 456 LYS C 457 +STRN46 STRN ILE C 437 ? ILE C 437 ? ILE C 459 ILE C 459 +HELX_RH_3T_P22 HELX_RH_3T_P ARG C 439 ? SER C 441 ? ARG C 461 SER C 463 +HELX_RH_3T_P23 HELX_RH_3T_P PRO C 443 ? SER C 446 ? PRO C 465 SER C 468 +BEND69 BEND MET C 447 ? MET C 447 ? MET C 469 MET C 469 +HELX_LH_PP_P7 HELX_LH_PP_P PRO C 448 ? SER C 449 ? PRO C 470 SER C 471 +HELX_RH_AL_P42 HELX_RH_AL_P TRP D 4 ? LEU D 12 ? TRP D 14 LEU D 22 +TURN_TY1_P75 TURN_TY1_P LYS D 13 ? LYS D 13 ? LYS D 23 LYS D 23 +STRN47 STRN ARG D 14 ? ARG D 14 ? ARG D 24 ARG D 24 +BEND70 BEND PHE D 17 ? VAL D 18 ? PHE D 27 VAL D 28 +TURN_TY1_P76 TURN_TY1_P GLY D 21 ? TRP D 22 ? GLY D 31 TRP D 32 +HELX_RH_AL_P43 HELX_RH_AL_P SER D 23 ? PHE D 44 ? SER D 33 PHE D 54 +STRN48 STRN SER D 47 ? SER D 47 ? SER D 57 SER D 57 +HELX_RH_AL_P44 HELX_RH_AL_P TRP D 48 ? HIS D 51 ? TRP D 58 HIS D 61 +BEND71 BEND GLY D 52 ? GLY D 52 ? GLY D 62 GLY D 62 +STRN49 STRN LEU D 53 ? LEU D 53 ? LEU D 63 LEU D 63 +BEND72 BEND SER D 56 ? SER D 56 ? SER D 66 SER D 66 +TURN_TY1_P77 TURN_TY1_P TYR D 57 ? GLY D 60 ? TYR D 67 GLY D 70 +TURN_TY1_P78 TURN_TY1_P PHE D 63 ? THR D 65 ? PHE D 73 THR D 75 +STRN50 STRN VAL D 68 ? VAL D 68 ? VAL D 78 VAL D 78 +HELX_LH_PP_P8 HELX_LH_PP_P SER D 69 ? ALA D 72 ? SER D 79 ALA D 82 +HELX_RH_3T_P24 HELX_RH_3T_P ASN D 73 ? MET D 75 ? ASN D 83 MET D 85 +TURN_TY1_P79 TURN_TY1_P GLY D 76 ? HIS D 77 ? GLY D 86 HIS D 87 +TURN_TY1_P80 TURN_TY1_P LEU D 82 ? TRP D 83 ? LEU D 92 TRP D 93 +BEND73 BEND GLY D 84 ? GLY D 84 ? GLY D 94 GLY D 94 +TURN_TY1_P81 TURN_TY1_P PRO D 85 ? GLY D 89 ? PRO D 95 GLY D 99 +HELX_RH_AL_P45 HELX_RH_AL_P PHE D 91 ? GLN D 96 ? PHE D 101 GLN D 106 +TURN_TY1_P82 TURN_TY1_P LEU D 97 ? GLY D 98 ? LEU D 107 GLY D 108 +HELX_RH_AL_P46 HELX_RH_AL_P GLY D 99 ? VAL D 126 ? GLY D 109 VAL D 136 +TURN_TY1_P83 TURN_TY1_P GLY D 127 ? GLY D 127 ? GLY D 137 GLY D 137 +TURN_TY1_P84 TURN_TY1_P PRO D 130 ? PRO D 130 ? PRO D 140 PRO D 140 +HELX_RH_AL_P47 HELX_RH_AL_P TYR D 131 ? VAL D 144 ? TYR D 141 VAL D 154 +HELX_RH_PI_P4 HELX_RH_PI_P SER D 145 ? ILE D 149 ? SER D 155 ILE D 159 +HELX_RH_AL_P48 HELX_RH_AL_P TYR D 150 ? GLY D 153 ? TYR D 160 GLY D 163 +BEND74 BEND GLN D 154 ? SER D 156 ? GLN D 164 SER D 166 +HELX_RH_3T_P25 HELX_RH_3T_P TRP D 157 ? PHE D 159 ? TRP D 167 PHE D 169 +BEND75 BEND ALA D 160 ? ALA D 160 ? ALA D 170 ALA D 170 +HELX_LH_PP_P9 HELX_LH_PP_P PRO D 161 ? SER D 162 ? PRO D 171 SER D 172 +STRN51 STRN PHE D 163 ? PHE D 163 ? PHE D 173 PHE D 173 +BEND76 BEND GLY D 164 ? GLY D 164 ? GLY D 174 GLY D 174 +HELX_RH_AL_P49 HELX_RH_AL_P VAL D 165 ? HIS D 179 ? VAL D 175 HIS D 189 +HELX_RH_3T_P26 HELX_RH_3T_P TRP D 181 ? LEU D 183 ? TRP D 191 LEU D 193 +HELX_RH_AL_P50 HELX_RH_AL_P PRO D 185 ? ASN D 210 ? PRO D 195 ASN D 220 +BEND77 BEND THR D 211 ? THR D 211 ? THR D 221 THR D 221 +STRN52 STRN LEU D 212 ? PHE D 213 ? LEU D 222 PHE D 223 +BEND78 BEND GLY D 216 ? SER D 220 ? GLY D 226 SER D 230 +HELX_RH_3T_P27 HELX_RH_3T_P THR D 221 ? ARG D 223 ? THR D 231 ARG D 233 +BEND79 BEND ALA D 224 ? ALA D 224 ? ALA D 234 ALA D 234 +TURN_TY1_P85 TURN_TY1_P PRO D 227 ? THR D 228 ? PRO D 237 THR D 238 +STRN53 STRN GLU D 231 ? GLU D 231 ? GLU D 241 GLU D 241 +BEND80 BEND THR D 233 ? THR D 233 ? THR D 243 THR D 243 +STRN54 STRN TYR D 234 ? TYR D 234 ? TYR D 244 TYR D 244 +HELX_RH_AL_P51 HELX_RH_AL_P MET D 236 ? PHE D 247 ? MET D 246 PHE D 257 +BEND81 BEND GLY D 248 ? GLY D 248 ? GLY D 258 GLY D 258 +HELX_RH_AL_P52 HELX_RH_AL_P LYS D 254 ? ALA D 280 ? LYS D 264 ALA D 290 +TURN_TY1_P86 TURN_TY1_P LEU D 281 ? ASN D 282 ? LEU D 291 ASN D 292 +STRN55 STRN ARG D 284 ? ARG D 284 ? ARG D 294 ARG D 294 +HELX_RH_AL_P53 HELX_RH_AL_P ILE D 289 ? GLU D 297 ? ILE D 299 GLU D 307 +TURN_TY1_P87 TURN_TY1_P PRO D 299 ? GLU D 300 ? PRO D 309 GLU D 310 +HELX_RH_AL_P54 HELX_RH_AL_P PHE D 304 ? ASP D 323 ? PHE D 314 ASP D 333 +HELX_RH_3T_P28 HELX_RH_3T_P PRO D 325 ? GLU D 327 ? PRO D 335 GLU D 337 +HELX_RH_3T_P29 HELX_RH_3T_P GLU D 333 ? VAL D 335 ? GLU D 343 VAL D 345 +BEND82 BEND LEU D 336 ? LEU D 336 ? LEU D 346 LEU D 346 +BEND83 BEND ASN D 340 ? ASN D 340 ? ASN D 350 ASN D 350 +BEND84 BEND GLY E 3 ? GLU E 4 ? GLY E 6 GLU E 7 +HELX_LH_PP_P10 HELX_LH_PP_P ARG E 5 ? PRO E 6 ? ARG E 8 PRO E 9 +HELX_RH_AL_P55 HELX_RH_AL_P PHE E 7 ? ILE E 11 ? PHE E 10 ILE E 14 +TURN_TY1_P88 TURN_TY1_P THR E 12 ? THR E 12 ? THR E 15 THR E 15 +BEND85 BEND SER E 13 ? SER E 13 ? SER E 16 SER E 16 +HELX_RH_AL_P56 HELX_RH_AL_P VAL E 14 ? SER E 36 ? VAL E 17 SER E 39 +TURN_TY1_P89 TURN_TY1_P THR E 37 ? THR E 37 ? THR E 40 THR E 40 +BEND86 BEND GLY E 38 ? GLY E 38 ? GLY E 41 GLY E 41 +HELX_RH_AL_P57 HELX_RH_AL_P LEU E 39 ? PHE E 44 ? LEU E 42 PHE E 47 +TURN_TY1_P90 TURN_TY1_P GLY E 45 ? GLY E 45 ? GLY E 48 GLY E 48 +HELX_LH_PP_P11 HELX_LH_PP_P THR E 46 ? ARG E 48 ? THR E 49 ARG E 51 +TURN_TY1_P91 TURN_TY1_P PRO E 49 ? ASP E 50 ? PRO E 52 ASP E 53 +BEND87 BEND SER E 51 ? TYR E 53 ? SER E 54 TYR E 56 +BEND88 BEND GLN E 55 ? GLU E 56 ? GLN E 58 GLU E 59 +BEND89 BEND SER E 59 ? SER E 59 ? SER E 62 SER E 62 +BEND90 BEND ARG E 66 ? ARG E 66 ? ARG E 69 ARG E 69 +TURN_TY1_P92 TURN_TY1_P PHE E 67 ? GLU E 68 ? PHE E 70 GLU E 71 +HELX_RH_AL_P58 HELX_RH_AL_P ALA E 69 ? GLU E 78 ? ALA E 72 GLU E 81 +TURN_TY1_P93 TURN_TY1_P GLN E 79 ? LEU E 80 ? GLN E 82 LEU E 83 +BEND91 BEND ILE F 4 ? PHE F 5 ? ILE F 15 PHE F 16 +HELX_RH_AL_P59 HELX_RH_AL_P VAL F 7 ? MET F 29 ? VAL F 18 MET F 40 +TURN_TY1_P94 TURN_TY1_P GLN F 30 ? PHE F 31 ? GLN F 41 PHE F 42 +STRN56 STRN ARG G 2 ? ARG G 2 ? ARG H 3 ARG H 3 +HELX_RH_AL_P60 HELX_RH_AL_P TRP G 5 ? LEU G 10 ? TRP H 6 LEU H 11 +HELX_RH_3T_P30 HELX_RH_3T_P ARG G 11 ? ASN G 14 ? ARG H 12 ASN H 15 +TURN_TY1_P95 TURN_TY1_P TYR G 17 ? GLY G 18 ? TYR H 18 GLY H 19 +STRN57 STRN ALA G 21 ? ALA G 21 ? ALA H 22 ALA H 22 +BEND92 BEND PRO G 22 ? PRO G 22 ? PRO H 23 PRO H 23 +TURN_TY1_P96 TURN_TY1_P GLY G 23 ? THR G 26 ? GLY H 24 THR H 27 +HELX_RH_AL_P61 HELX_RH_AL_P THR G 27 ? TYR G 48 ? THR H 28 TYR H 49 +TURN_TY1_P97 TURN_TY1_P ASN G 49 ? SER G 50 ? ASN H 50 SER H 51 +BEND93 BEND THR G 51 ? LEU G 52 ? THR H 52 LEU H 53 +TURN_TY1_P98 TURN_TY1_P ASP G 55 ? GLY G 56 ? ASP H 56 GLY H 57 +BEND94 BEND SER G 60 ? SER G 60 ? SER H 61 SER H 61 +HELX_RH_3T_P31 HELX_RH_3T_P TRP G 61 ? ALA G 63 ? TRP H 62 ALA H 64 +HELX_RH_AL_P62 HELX_RH_AL_P GLU H 2 ? PHE H 23 ? GLU I 2 PHE I 23 +TURN_TY1_P99 TURN_TY1_P LEU H 24 ? GLY H 26 ? LEU I 24 GLY I 26 +HELX_RH_3T_P32 HELX_RH_3T_P ASP H 27 ? ALA H 29 ? ASP I 27 ALA I 29 +BEND95 BEND ASN H 31 ? LYS H 33 ? ASN I 31 LYS I 33 +TURN_TY1_P100 TURN_TY1_P GLY I 3 ? GLY I 4 ? GLY J 4 GLY J 5 +BEND96 BEND ARG I 5 ? ILE I 6 ? ARG J 6 ILE J 7 +HELX_RH_AL_P63 HELX_RH_AL_P LEU I 8 ? TYR I 28 ? LEU J 9 TYR J 29 +TURN_TY1_P101 TURN_TY1_P GLY I 29 ? ALA I 30 ? GLY J 30 ALA J 31 +BEND97 BEND TYR I 31 ? GLY I 33 ? TYR J 32 GLY J 34 +TURN_TY1_P102 TURN_TY1_P LEU I 34 ? GLY I 35 ? LEU J 35 GLY J 36 +BEND98 BEND SER I 36 ? SER I 36 ? SER J 37 SER J 37 +HELX_RH_3T_P33 HELX_RH_3T_P GLU J 4 ? PHE J 9 ? GLU K 13 PHE K 18 +HELX_RH_AL_P64 HELX_RH_AL_P ASP J 10 ? VAL J 13 ? ASP K 19 VAL K 22 +TURN_TY1_P103 TURN_TY1_P ASP J 14 ? VAL J 15 ? ASP K 23 VAL K 24 +HELX_RH_3T_P34 HELX_RH_3T_P LEU J 16 ? VAL J 18 ? LEU K 25 VAL K 27 +HELX_RH_AL_P65 HELX_RH_AL_P ILE J 19 ? ALA J 33 ? ILE K 28 ALA K 42 +TURN_TY1_P104 TURN_TY1_P VAL J 34 ? PHE J 36 ? VAL K 43 PHE K 45 +TURN_TY1_P105 TURN_TY1_P PRO K 4 ? ASN K 5 ? PRO L 5 ASN L 6 +STRN58 STRN VAL K 9 ? VAL K 9 ? VAL L 10 VAL L 10 +HELX_RH_AL_P66 HELX_RH_AL_P ARG K 13 ? PHE K 35 ? ARG L 14 PHE L 36 +TURN_TY1_P106 TURN_TY1_P GLN L 5 ? GLN L 5 ? GLN M 5 GLN M 5 +HELX_RH_AL_P67 HELX_RH_AL_P LEU L 6 ? GLU L 30 ? LEU M 6 GLU M 30 +TURN_TY1_P107 TURN_TY1_P SER L 31 ? SER L 31 ? SER M 31 SER M 31 +HELX_RH_AL_P68 HELX_RH_AL_P TYR M 4 ? ILE M 7 ? TYR O 7 ILE O 10 +TURN_TY1_P108 TURN_TY1_P VAL M 8 ? GLY M 9 ? VAL O 11 GLY O 12 +BEND99 BEND THR M 10 ? GLY M 11 ? THR O 13 GLY O 14 +HELX_RH_3T_P35 HELX_RH_3T_P LEU M 12 ? ASN M 14 ? LEU O 15 ASN O 17 +BEND100 BEND LYS M 15 ? LYS M 15 ? LYS O 18 LYS O 18 +TURN_TY1_P109 TURN_TY1_P ASP M 21 ? THR M 22 ? ASP O 24 THR O 25 +STRN59 STRN ARG M 24 ? ARG M 24 ? ARG O 27 ARG O 27 +STRN60 STRN TYR M 27 ? PRO M 28 ? TYR O 30 PRO O 31 +TURN_TY1_P110 TURN_TY1_P SER M 31 ? SER M 32 ? SER O 34 SER O 35 +BEND101 BEND GLN M 33 ? GLN M 33 ? GLN O 36 GLN O 36 +STRN61 STRN TYR M 35 ? LYS M 50 ? TYR O 38 LYS O 53 +BEND102 BEND LYS M 54 ? GLN M 58 ? LYS O 57 GLN O 61 +HELX_LH_PP_P12 HELX_LH_PP_P GLU M 59 ? ALA M 60 ? GLU O 62 ALA O 63 +STRN62 STRN PHE M 62 ? PRO M 64 ? PHE O 65 PRO O 67 +STRN63 STRN LYS M 66 ? LEU M 67 ? LYS O 69 LEU O 70 +BEND103 BEND THR M 69 ? THR M 69 ? THR O 72 THR O 72 +BEND104 BEND GLU M 71 ? GLU M 71 ? GLU O 74 GLU O 74 +STRN64 STRN LEU M 75 ? VAL M 84 ? LEU O 78 VAL O 87 +TURN_TY1_P111 TURN_TY1_P SER M 86 ? ASP M 87 ? SER O 89 ASP O 90 +BEND105 BEND GLY M 88 ? GLY M 88 ? GLY O 91 GLY O 91 +STRN65 STRN LEU M 90 ? ILE M 98 ? LEU O 93 ILE O 101 +STRN66 STRN PHE M 100 ? GLN M 106 ? PHE O 103 GLN O 109 +TURN_TY1_P112 TURN_TY1_P ALA M 108 ? GLY M 109 ? ALA O 111 GLY O 112 +BEND106 BEND GLY M 110 ? GLY M 110 ? GLY O 113 GLY O 113 +STRN67 STRN ARG M 112 ? THR M 118 ? ARG O 115 THR O 121 +TURN_TY1_P113 TURN_TY1_P LYS M 120 ? ASN M 121 ? LYS O 123 ASN O 124 +STRN68 STRN VAL M 123 ? SER M 125 ? VAL O 126 SER O 128 +BEND107 BEND PRO M 128 ? PRO M 128 ? PRO O 131 PRO O 131 +BEND108 BEND THR M 131 ? THR M 131 ? THR O 134 THR O 134 +STRN69 STRN SER M 132 ? ILE M 133 ? SER O 135 ILE O 136 +TURN_TY1_P114 TURN_TY1_P THR M 135 ? SER M 136 ? THR O 138 SER O 139 +STRN70 STRN ASP M 138 ? PRO M 146 ? ASP O 141 PRO O 149 +BEND109 BEND TYR M 148 ? ARG M 149 ? TYR O 151 ARG O 152 +TURN_TY1_P115 TURN_TY1_P ALA M 151 ? ASN M 152 ? ALA O 154 ASN O 155 +TURN_TY1_P116 TURN_TY1_P PRO M 156 ? LYS M 157 ? PRO O 159 LYS O 160 +BEND110 BEND GLY M 158 ? GLY M 158 ? GLY O 161 GLY O 161 +STRN71 STRN ARG M 159 ? ARG M 159 ? ARG O 162 ARG O 162 +BEND111 BEND LEU M 161 ? GLY M 164 ? LEU O 164 GLY O 167 +STRN72 STRN TYR M 165 ? TYR M 165 ? TYR O 168 TYR O 168 +BEND112 BEND ASP M 166 ? SER M 167 ? ASP O 169 SER O 170 +TURN_TY1_P117 TURN_TY1_P ILE M 169 ? ALA M 170 ? ILE O 172 ALA O 173 +BEND113 BEND LEU M 171 ? LEU M 171 ? LEU O 174 LEU O 174 +TURN_TY1_P118 TURN_TY1_P PRO M 172 ? GLN M 173 ? PRO O 175 GLN O 176 +BEND114 BEND ALA M 174 ? ALA M 174 ? ALA O 177 ALA O 177 +HELX_RH_3T_P36 HELX_RH_3T_P GLU M 176 ? LEU M 179 ? GLU O 179 LEU O 182 +HELX_RH_AL_P69 HELX_RH_AL_P ALA M 180 ? ASN M 183 ? ALA O 183 ASN O 186 +BEND115 BEND VAL M 184 ? VAL M 184 ? VAL O 187 VAL O 187 +STRN73 STRN LEU M 189 ? ASP M 202 ? LEU O 192 ASP O 205 +TURN_TY1_P119 TURN_TY1_P GLY M 203 ? GLY M 206 ? GLY O 206 GLY O 209 +STRN74 STRN GLU M 207 ? LEU M 217 ? GLU O 210 LEU O 220 +TURN_TY1_P120 TURN_TY1_P ASP M 221 ? ALA M 224 ? ASP O 224 ALA O 227 +BEND116 BEND HIS M 225 ? HIS M 225 ? HIS O 228 HIS O 228 +HELX_LH_PP_P13 HELX_LH_PP_P GLU M 226 ? HIS M 228 ? GLU O 229 HIS O 231 +STRN75 STRN GLU M 229 ? PRO M 242 ? GLU O 232 PRO O 245 +HELX_RH_AL_P70 HELX_RH_AL_P TRP N 2 ? LYS N 32 ? TRP R 3 LYS R 33 +TURN_TY1_P121 TURN_TY1_P LEU N 33 ? LEU N 33 ? LEU R 34 LEU R 34 +HELX_RH_AL_P71 HELX_RH_AL_P GLU O 2 ? PHE O 22 ? GLU T 2 PHE T 22 +TURN_TY1_P122 TURN_TY1_P PHE O 23 ? PHE O 23 ? PHE T 23 PHE T 23 +BEND117 BEND ARG O 24 ? ARG O 24 ? ARG T 24 ARG T 24 +HELX_LH_PP_P14 HELX_LH_PP_P GLU O 25 ? PRO O 27 ? GLU T 25 PRO T 27 +HELX_RH_AL_P72 HELX_RH_AL_P VAL P 4 ? LYS P 8 ? VAL U 12 LYS U 16 +TURN_TY1_P123 TURN_TY1_P LEU P 9 ? GLY P 10 ? LEU U 17 GLY U 18 +BEND118 BEND THR P 11 ? THR P 11 ? THR U 19 THR U 19 +HELX_RH_3T_P37 HELX_RH_3T_P ALA P 12 ? GLY P 14 ? ALA U 20 GLY U 22 +TURN_TY1_P124 TURN_TY1_P GLU P 15 ? GLU P 15 ? GLU U 23 GLU U 23 +BEND119 BEND LYS P 16 ? LYS P 16 ? LYS U 24 LYS U 24 +STRN76 STRN ILE P 17 ? ASP P 18 ? ILE U 25 ASP U 26 +TURN_TY1_P125 TURN_TY1_P LEU P 19 ? ASN P 21 ? LEU U 27 ASN U 29 +BEND120 BEND THR P 22 ? THR P 22 ? THR U 30 THR U 30 +HELX_RH_3T_P38 HELX_RH_3T_P ILE P 24 ? GLN P 29 ? ILE U 32 GLN U 37 +BEND121 BEND TYR P 30 ? TYR P 30 ? TYR U 38 TYR U 38 +TURN_TY1_P126 TURN_TY1_P ARG P 31 ? GLY P 32 ? ARG U 39 GLY U 40 +TURN_TY1_P127 TURN_TY1_P TYR P 34 ? PRO P 35 ? TYR U 42 PRO U 43 +HELX_RH_AL_P73 HELX_RH_AL_P THR P 36 ? LYS P 43 ? THR U 44 LYS U 51 +TURN_TY1_P128 TURN_TY1_P ASN P 44 ? ASN P 44 ? ASN U 52 ASN U 52 +BEND122 BEND GLU P 48 ? SER P 49 ? GLU U 56 SER U 57 +HELX_RH_3T_P39 HELX_RH_3T_P VAL P 50 ? ASN P 55 ? VAL U 58 ASN U 63 +TURN_TY1_P129 TURN_TY1_P PRO P 57 ? GLY P 58 ? PRO U 65 GLY U 66 +HELX_RH_AL_P74 HELX_RH_AL_P GLU P 61 ? GLU P 69 ? GLU U 69 GLU U 77 +TURN_TY1_P130 TURN_TY1_P ASN P 70 ? ASN P 70 ? ASN U 78 ASN U 78 +HELX_RH_3T_P40 HELX_RH_3T_P LEU P 71 ? HIS P 73 ? LEU U 79 HIS U 81 +STRN77 STRN PHE P 74 ? THR P 75 ? PHE U 82 THR U 83 +HELX_LH_PP_P15 HELX_LH_PP_P GLU P 78 ? GLU P 80 ? GLU U 86 GLU U 88 +HELX_RH_AL_P75 HELX_RH_AL_P THR P 81 ? VAL P 84 ? THR U 89 VAL U 92 +HELX_RH_3T_P41 HELX_RH_3T_P GLU P 85 ? GLY P 87 ? GLU U 93 GLY U 95 +TURN_TY1_P131 TURN_TY1_P ASP P 88 ? TYR P 90 ? ASP U 96 TYR U 98 +BEND123 BEND GLY P 93 ? GLY P 93 ? GLY U 101 GLY U 101 +TURN_TY1_P132 TURN_TY1_P PRO Q 5 ? LEU Q 8 ? PRO V 5 LEU V 8 +STRN78 STRN THR Q 9 ? PRO Q 11 ? THR V 9 PRO V 11 +BEND124 BEND LEU Q 12 ? ASN Q 13 ? LEU V 12 ASN V 13 +TURN_TY1_P133 TURN_TY1_P SER Q 14 ? GLU Q 15 ? SER V 14 GLU V 15 +BEND125 BEND GLY Q 16 ? GLY Q 16 ? GLY V 16 GLY V 16 +STRN79 STRN THR Q 18 ? THR Q 20 ? THR V 18 THR V 20 +HELX_RH_AL_P76 HELX_RH_AL_P GLU Q 23 ? ALA Q 36 ? GLU V 23 ALA V 36 +TURN_TY1_P134 TURN_TY1_P CYS Q 37 ? CYS Q 37 ? CYS V 37 CYS V 37 +HELX_RH_AL_P77 HELX_RH_AL_P ALA Q 38 ? HIS Q 41 ? ALA V 38 HIS V 41 +HELX_RH_3T_P42 HELX_RH_3T_P VAL Q 42 ? GLY Q 44 ? VAL V 42 GLY V 44 +TURN_TY1_P135 TURN_TY1_P LYS Q 47 ? THR Q 48 ? LYS V 47 THR V 48 +TURN_TY1_P136 TURN_TY1_P PRO Q 50 ? SER Q 51 ? PRO V 50 SER V 51 +HELX_RH_AL_P78 HELX_RH_AL_P THR Q 56 ? ALA Q 60 ? THR V 56 ALA V 60 +TURN_TY1_P137 TURN_TY1_P LEU Q 61 ? LEU Q 61 ? LEU V 61 LEU V 61 +BEND126 BEND ALA Q 62 ? PRO Q 64 ? ALA V 62 PRO V 64 +BEND127 BEND ASP Q 67 ? ASN Q 68 ? ASP V 67 ASN V 68 +HELX_RH_AL_P79 HELX_RH_AL_P ILE Q 69 ? LYS Q 77 ? ILE V 69 LYS V 77 +BEND128 BEND ASN Q 78 ? ASN Q 78 ? ASN V 78 ASN V 78 +STRN80 STRN THR Q 80 ? THR Q 80 ? THR V 80 THR V 80 +TURN_TY1_P138 TURN_TY1_P TYR Q 82 ? ASP Q 83 ? TYR V 82 ASP V 83 +BEND129 BEND GLY Q 84 ? GLY Q 84 ? GLY V 84 GLY V 84 +BEND130 BEND GLN Q 86 ? GLN Q 86 ? GLN V 86 GLN V 86 +STRN81 STRN GLU Q 87 ? GLU Q 87 ? GLU V 87 GLU V 87 +TURN_TY1_P139 TURN_TY1_P ALA Q 89 ? VAL Q 91 ? ALA V 89 VAL V 91 +BEND131 BEND HIS Q 92 ? HIS Q 92 ? HIS V 92 HIS V 92 +BEND132 BEND LEU Q 95 ? LEU Q 95 ? LEU V 95 LEU V 95 +TURN_TY1_P140 TURN_TY1_P ARG Q 96 ? ILE Q 100 ? ARG V 96 ILE V 100 +BEND133 BEND PHE Q 101 ? PHE Q 101 ? PHE V 101 PHE V 101 +HELX_RH_3T_P43 HELX_RH_3T_P PRO Q 102 ? MET Q 104 ? PRO V 102 MET V 104 +TURN_TY1_P141 TURN_TY1_P ARG Q 105 ? ASN Q 106 ? ARG V 105 ASN V 106 +HELX_RH_AL_P80 HELX_RH_AL_P GLU Q 109 ? LEU Q 126 ? GLU V 109 LEU V 126 +HELX_RH_3T_P44 HELX_RH_3T_P GLY Q 127 ? LYS Q 129 ? GLY V 127 LYS V 129 +TURN_TY1_P142 TURN_TY1_P TRP Q 130 ? GLY Q 132 ? TRP V 130 GLY V 132 +HELX_RH_3T_P45 HELX_RH_3T_P LYS Q 134 ? TYR Q 136 ? LYS V 134 TYR V 136 +HELX_RH_AL_P81 HELX_RH_AL_P PRO R 4 ? ILE R 33 ? PRO X 5 ILE X 34 +BEND134 BEND ASP R 34 ? ASP R 34 ? ASP X 35 ASP X 35 +HELX_LH_PP_P16 HELX_LH_PP_P LYS R 35 ? GLN R 37 ? LYS X 36 GLN X 38 +HELX_RH_AL_P82 HELX_RH_AL_P ILE S 2 ? VAL S 24 ? ILE Y 19 VAL Y 41 +TURN_TY1_P143 TURN_TY1_P ARG S 25 ? ARG S 26 ? ARG Y 42 ARG Y 43 +HELX_RH_AL_P83 HELX_RH_AL_P THR T 2 ? TYR T 27 ? THR Z 2 TYR Z 27 +TURN_TY1_P144 TURN_TY1_P ALA T 28 ? ALA T 28 ? ALA Z 28 ALA Z 28 +TURN_TY1_P145 TURN_TY1_P GLN T 31 ? ASP T 32 ? GLN Z 31 ASP Z 32 +HELX_RH_AL_P84 HELX_RH_AL_P TRP T 33 ? LEU T 57 ? TRP Z 33 LEU Z 57 +HELX_RH_3T_P46 HELX_RH_3T_P ASN T 58 ? PHE T 60 ? ASN Z 58 PHE Z 60 +TURN_TY1_P146 TURN_TY1_P VAL T 61 ? VAL T 61 ? VAL Z 61 VAL Z 61 +HELX_RH_AL_P85 HELX_RH_AL_P LEU U 3 ? VAL U 11 ? LEU a 13 VAL a 21 +TURN_TY1_P147 TURN_TY1_P THR U 12 ? THR U 12 ? THR a 22 THR a 22 +TURN_TY1_P148 TURN_TY1_P THR U 14 ? ASP U 15 ? THR a 24 ASP a 25 +BEND135 BEND ASN U 16 ? LEU U 18 ? ASN a 26 LEU a 28 +HELX_RH_AL_P86 HELX_RH_AL_P GLY U 21 ? ALA U 44 ? GLY a 31 ALA a 54 +HELX_LH_PP_P17 HELX_LH_PP_P ALA U 45 ? PRO U 47 ? ALA a 55 PRO a 57 +STRN82 STRN VAL U 48 ? VAL U 48 ? VAL a 58 VAL a 58 +TURN_TY1_P149 TURN_TY1_P ILE U 50 ? ASP U 51 ? ILE a 60 ASP a 61 +BEND136 BEND GLY U 52 ? ARG U 54 ? GLY a 62 ARG a 64 +HELX_LH_PP_P18 HELX_LH_PP_P PRO U 56 ? PRO U 56 ? PRO a 66 PRO a 66 +STRN83 STRN VAL U 57 ? VAL U 57 ? VAL a 67 VAL a 67 +HELX_LH_PP_P19 HELX_LH_PP_P SER U 58 ? SER U 58 ? SER a 68 SER a 68 +BEND137 BEND SER U 60 ? SER U 60 ? SER a 70 SER a 70 +HELX_RH_3T_P47 HELX_RH_3T_P LEU U 61 ? TYR U 63 ? LEU a 71 TYR a 73 +TURN_TY1_P150 TURN_TY1_P GLY U 64 ? GLY U 64 ? GLY a 74 GLY a 74 +TURN_TY1_P151 TURN_TY1_P ILE U 67 ? THR U 69 ? ILE a 77 THR a 79 +STRN84 STRN ALA U 71 ? VAL U 72 ? ALA a 81 VAL a 82 +HELX_LH_PP_P20 HELX_LH_PP_P VAL U 73 ? SER U 76 ? VAL a 83 SER a 86 +TURN_TY1_P152 TURN_TY1_P ASN U 77 ? LEU U 81 ? ASN a 87 LEU a 91 +HELX_RH_3T_P48 HELX_RH_3T_P ILE U 86 ? GLU U 88 ? ILE a 96 GLU a 98 +BEND138 BEND ALA U 89 ? SER U 91 ? ALA a 99 SER a 101 +HELX_RH_AL_P87 HELX_RH_AL_P LEU U 92 ? TYR U 97 ? LEU a 102 TYR a 107 +TURN_TY1_P153 TURN_TY1_P ASN U 98 ? GLY U 99 ? ASN a 108 GLY a 109 +HELX_RH_AL_P88 HELX_RH_AL_P GLY U 100 ? ARG U 126 ? GLY a 110 ARG a 136 +TURN_TY1_P154 TURN_TY1_P LEU U 127 ? GLY U 128 ? LEU a 137 GLY a 138 +BEND139 BEND PRO U 131 ? PRO U 131 ? PRO a 141 PRO a 141 +TURN_TY1_P155 TURN_TY1_P TRP U 132 ? TRP U 132 ? TRP a 142 TRP a 142 +HELX_RH_AL_P89 HELX_RH_AL_P ILE U 133 ? PHE U 145 ? ILE a 143 PHE a 155 +HELX_RH_PI_P5 HELX_RH_PI_P ALA U 146 ? ILE U 150 ? ALA a 156 ILE a 160 +HELX_RH_AL_P90 HELX_RH_AL_P TYR U 151 ? GLN U 155 ? TYR a 161 GLN a 165 +TURN_TY1_P156 TURN_TY1_P GLY U 156 ? GLY U 156 ? GLY a 166 GLY a 166 +HELX_RH_3T_P49 HELX_RH_3T_P PHE U 158 ? ASP U 160 ? PHE a 168 ASP a 170 +BEND140 BEND GLY U 161 ? GLY U 161 ? GLY a 171 GLY a 171 +HELX_LH_PP_P21 HELX_LH_PP_P MET U 162 ? PRO U 163 ? MET a 172 PRO a 173 +STRN85 STRN LEU U 164 ? GLY U 165 ? LEU a 174 GLY a 175 +HELX_RH_AL_P91 HELX_RH_AL_P ILE U 166 ? HIS U 180 ? ILE a 176 HIS a 190 +HELX_RH_3T_P50 HELX_RH_3T_P ILE U 182 ? MET U 184 ? ILE a 192 MET a 194 +BEND141 BEND HIS U 185 ? HIS U 185 ? HIS a 195 HIS a 195 +HELX_RH_AL_P92 HELX_RH_AL_P PRO U 186 ? SER U 211 ? PRO a 196 SER a 221 +TURN_TY1_P157 TURN_TY1_P SER U 212 ? SER U 212 ? SER a 222 SER a 222 +STRN86 STRN LEU U 213 ? ILE U 214 ? LEU a 223 ILE a 224 +BEND142 BEND THR U 217 ? THR U 217 ? THR a 227 THR a 227 +TURN_TY1_P158 TURN_TY1_P GLU U 219 ? THR U 220 ? GLU a 229 THR a 230 +BEND143 BEND GLU U 221 ? GLU U 221 ? GLU a 231 GLU a 231 +HELX_RH_3T_P51 HELX_RH_3T_P ALA U 223 ? GLY U 226 ? ALA a 233 GLY a 236 +TURN_TY1_P159 TURN_TY1_P PHE U 229 ? GLY U 230 ? PHE a 239 GLY a 240 +BEND144 BEND GLU U 232 ? GLU U 232 ? GLU a 242 GLU a 242 +STRN87 STRN GLU U 233 ? GLU U 233 ? GLU a 243 GLU a 243 +BEND145 BEND THR U 235 ? THR U 235 ? THR a 245 THR a 245 +STRN88 STRN TYR U 236 ? TYR U 236 ? TYR a 246 TYR a 246 +HELX_RH_AL_P93 HELX_RH_AL_P ILE U 238 ? LEU U 248 ? ILE a 248 LEU a 258 +BEND146 BEND ILE U 249 ? ILE U 249 ? ILE a 259 ILE a 259 +HELX_RH_3T_P52 HELX_RH_3T_P GLN U 251 ? ALA U 253 ? GLN a 261 ALA a 263 +BEND147 BEND SER U 254 ? SER U 254 ? SER a 264 SER a 264 +HELX_RH_AL_P94 HELX_RH_AL_P SER U 258 ? MET U 283 ? SER a 268 MET a 293 +TURN_TY1_P160 TURN_TY1_P ALA U 284 ? ASN U 286 ? ALA a 294 ASN a 296 +STRN89 STRN LEU U 287 ? ASN U 288 ? LEU a 297 ASN a 298 +BEND148 BEND GLY U 289 ? GLY U 289 ? GLY a 299 GLY a 299 +HELX_LH_PP_P22 HELX_LH_PP_P PHE U 290 ? PHE U 290 ? PHE a 300 PHE a 300 +TURN_TY1_P161 TURN_TY1_P ASN U 293 ? HIS U 294 ? ASN a 303 HIS a 304 +STRN90 STRN ILE U 297 ? ILE U 297 ? ILE a 307 ILE a 307 +BEND149 BEND ALA U 299 ? GLY U 301 ? ALA a 309 GLY a 311 +STRN91 STRN VAL U 303 ? VAL U 303 ? VAL a 313 VAL a 313 +HELX_RH_AL_P95 HELX_RH_AL_P TRP U 307 ? MET U 321 ? TRP a 317 MET a 331 +TURN_TY1_P162 TURN_TY1_P HIS U 322 ? ASN U 325 ? HIS a 332 ASN a 335 +BEND150 BEND ALA U 326 ? ALA U 326 ? ALA a 336 ALA a 336 +BEND151 BEND PHE U 329 ? PRO U 330 ? PHE a 339 PRO a 340 +STRN92 STRN LEU V 2 ? LEU V 2 ? LEU b 3 LEU b 3 +HELX_RH_3T_P53 HELX_RH_3T_P TRP V 4 ? LEU V 11 ? TRP b 5 LEU b 12 +TURN_TY1_P163 TURN_TY1_P ILE V 12 ? ASN V 13 ? ILE b 13 ASN b 14 +HELX_RH_AL_P96 HELX_RH_AL_P PRO V 15 ? THR V 43 ? PRO b 16 THR b 44 +BEND152 BEND SER V 47 ? SER V 47 ? SER b 48 SER b 48 +TURN_TY1_P164 TURN_TY1_P PRO V 49 ? LEU V 51 ? PRO b 50 LEU b 52 +BEND153 BEND ASN V 52 ? ASN V 52 ? ASN b 53 ASN b 53 +HELX_RH_3T_P54 HELX_RH_3T_P MET V 54 ? ARG V 56 ? MET b 55 ARG b 57 +TURN_TY1_P165 TURN_TY1_P GLN V 57 ? GLY V 58 ? GLN b 58 GLY b 59 +BEND154 BEND PHE V 60 ? VAL V 61 ? PHE b 61 VAL b 62 +HELX_RH_AL_P97 HELX_RH_AL_P LEU V 62 ? ARG V 67 ? LEU b 63 ARG b 68 +TURN_TY1_P166 TURN_TY1_P LEU V 68 ? GLY V 69 ? LEU b 69 GLY b 70 +STRN93 STRN GLY V 72 ? GLY V 72 ? GLY b 73 GLY b 73 +TURN_TY1_P167 TURN_TY1_P TRP V 74 ? SER V 75 ? TRP b 75 SER b 76 +BEND155 BEND GLY V 76 ? GLY V 76 ? GLY b 77 GLY b 77 +STRN94 STRN TRP V 77 ? SER V 78 ? TRP b 78 SER b 79 +TURN_TY1_P168 TURN_TY1_P ILE V 79 ? THR V 80 ? ILE b 80 THR b 81 +BEND156 BEND GLY V 81 ? GLY V 81 ? GLY b 82 GLY b 82 +STRN95 STRN THR V 83 ? THR V 83 ? THR b 84 THR b 84 +BEND157 BEND GLY V 84 ? GLY V 84 ? GLY b 85 GLY b 85 +BEND158 BEND PHE V 89 ? PHE V 89 ? PHE b 90 PHE b 90 +BEND159 BEND SER V 91 ? SER V 91 ? SER b 92 SER b 92 +HELX_RH_AL_P98 HELX_RH_AL_P PHE V 92 ? VAL V 115 ? PHE b 93 VAL b 116 +TURN_TY1_P169 TURN_TY1_P TYR V 116 ? TYR V 116 ? TYR b 117 TYR b 117 +STRN96 STRN LEU V 119 ? LEU V 119 ? LEU b 120 LEU b 120 +HELX_RH_3T_P55 HELX_RH_3T_P GLU V 120 ? PHE V 122 ? GLU b 121 PHE b 123 +STRN97 STRN ARG V 123 ? ARG V 123 ? ARG b 124 ARG b 124 +TURN_TY1_P170 TURN_TY1_P PRO V 125 ? THR V 127 ? PRO b 126 THR b 128 +BEND160 BEND GLU V 129 ? GLU V 129 ? GLU b 130 GLU b 130 +STRN98 STRN PRO V 130 ? PRO V 130 ? PRO b 131 PRO b 131 +HELX_RH_AL_P99 HELX_RH_AL_P LEU V 134 ? GLY V 151 ? LEU b 135 GLY b 152 +HELX_RH_PI_P6 HELX_RH_PI_P PHE V 152 ? LEU V 157 ? PHE b 153 LEU b 158 +TURN_TY1_P171 TURN_TY1_P THR V 158 ? THR V 158 ? THR b 159 THR b 159 +BEND161 BEND GLY V 159 ? GLY V 159 ? GLY b 160 GLY b 160 +TURN_TY1_P172 TURN_TY1_P LEU V 160 ? PHE V 161 ? LEU b 161 PHE b 162 +BEND162 BEND GLY V 162 ? GLY V 162 ? GLY b 163 GLY b 163 +STRN99 STRN MET V 165 ? VAL V 167 ? MET b 166 VAL b 168 +TURN_TY1_P173 TURN_TY1_P PRO V 170 ? TYR V 171 ? PRO b 171 TYR b 172 +BEND163 BEND GLY V 172 ? THR V 174 ? GLY b 173 THR b 175 +STRN100 STRN SER V 176 ? GLN V 178 ? SER b 177 GLN b 179 +BEND164 BEND GLY V 185 ? GLY V 185 ? GLY b 186 GLY b 186 +HELX_RH_3T_P56 HELX_RH_3T_P PRO V 186 ? PHE V 189 ? PRO b 187 PHE b 190 +TURN_TY1_P174 TURN_TY1_P PRO V 191 ? TYR V 192 ? PRO b 192 TYR b 193 +HELX_RH_AL_P100 HELX_RH_AL_P PRO V 194 ? LEU V 217 ? PRO b 195 LEU b 218 +BEND165 BEND VAL V 218 ? VAL V 218 ? VAL b 219 VAL b 219 +HELX_LH_PP_P23 HELX_LH_PP_P ARG V 219 ? PRO V 220 ? ARG b 220 PRO b 221 +STRN101 STRN PRO V 221 ? PRO V 221 ? PRO b 222 PRO b 222 +HELX_RH_AL_P101 HELX_RH_AL_P GLN V 222 ? LEU V 228 ? GLN b 223 LEU b 229 +TURN_TY1_P175 TURN_TY1_P ARG V 229 ? GLY V 231 ? ARG b 230 GLY b 232 +BEND166 BEND ASN V 232 ? ASN V 232 ? ASN b 233 ASN b 233 +HELX_RH_AL_P102 HELX_RH_AL_P ILE V 233 ? TYR V 257 ? ILE b 234 TYR b 258 +TURN_TY1_P176 TURN_TY1_P ALA V 260 ? THR V 261 ? ALA b 261 THR b 262 +BEND167 BEND THR V 262 ? THR V 262 ? THR b 263 THR b 263 +HELX_RH_AL_P103 HELX_RH_AL_P ILE V 264 ? PHE V 267 ? ILE b 265 PHE b 268 +HELX_RH_AL_P104 HELX_RH_AL_P ARG V 271 ? ASP V 275 ? ARG b 272 ASP b 276 +TURN_TY1_P177 TURN_TY1_P SER V 276 ? SER V 277 ? SER b 277 SER b 278 +HELX_RH_AL_P105 HELX_RH_AL_P TYR V 278 ? ALA V 292 ? TYR b 279 ALA b 293 +TURN_TY1_P178 TURN_TY1_P SER V 293 ? GLY V 294 ? SER b 294 GLY b 295 +HELX_RH_AL_P106 HELX_RH_AL_P LEU V 297 ? SER V 302 ? LEU b 298 SER b 303 +TURN_TY1_P179 TURN_TY1_P ALA V 303 ? ALA V 303 ? ALA b 304 ALA b 304 +BEND168 BEND ILE V 304 ? ILE V 304 ? ILE b 305 ILE b 305 +HELX_RH_AL_P107 HELX_RH_AL_P GLU V 306 ? TYR V 311 ? GLU b 307 TYR b 312 +BEND169 BEND ASP V 312 ? ASP V 312 ? ASP b 313 ASP b 313 +STRN102 STRN TYR V 313 ? TYR V 313 ? TYR b 314 TYR b 314 +HELX_RH_3T_P57 HELX_RH_3T_P ILE V 314 ? ASN V 316 ? ILE b 315 ASN b 317 +TURN_TY1_P180 TURN_TY1_P PRO V 318 ? ALA V 319 ? PRO b 319 ALA b 320 +BEND170 BEND LYS V 320 ? LYS V 320 ? LYS b 321 LYS b 321 +STRN103 STRN GLY V 322 ? GLY V 322 ? GLY b 323 GLY b 323 +TURN_TY1_P181 TURN_TY1_P LEU V 323 ? PHE V 324 ? LEU b 324 PHE b 325 +BEND171 BEND GLY V 327 ? GLY V 327 ? GLY b 328 GLY b 328 +HELX_RH_3T_P58 HELX_RH_3T_P MET V 329 ? LYS V 331 ? MET b 330 LYS b 332 +TURN_TY1_P182 TURN_TY1_P GLY V 332 ? ASP V 333 ? GLY b 333 ASP b 334 +STRN104 STRN ILE V 335 ? ARG V 346 ? ILE b 336 ARG b 347 +TURN_TY1_P183 TURN_TY1_P LYS V 348 ? GLU V 349 ? LYS b 349 GLU b 350 +STRN105 STRN GLU V 352 ? VAL V 355 ? GLU b 353 VAL b 356 +HELX_LH_PP_P24 HELX_LH_PP_P ARG V 356 ? PRO V 359 ? ARG b 357 PRO b 360 +TURN_TY1_P184 TURN_TY1_P ALA V 360 ? PHE V 361 ? ALA b 361 PHE b 362 +BEND172 BEND GLU V 363 ? SER V 364 ? GLU b 364 SER b 365 +STRN106 STRN ILE V 368 ? THR V 370 ? ILE b 369 THR b 371 +TURN_TY1_P185 TURN_TY1_P LYS V 372 ? ASN V 373 ? LYS b 373 ASN b 374 +STRN107 STRN VAL V 376 ? ASP V 379 ? VAL b 377 ASP b 380 +BEND173 BEND PHE V 382 ? ARG V 383 ? PHE b 383 ARG b 384 +HELX_RH_3T_P59 HELX_RH_3T_P ARG V 384 ? GLU V 386 ? ARG b 385 GLU b 387 +BEND174 BEND LYS V 388 ? TYR V 389 ? LYS b 389 TYR b 390 +HELX_RH_AL_P108 HELX_RH_AL_P PHE V 391 ? GLN V 394 ? PHE b 392 GLN b 395 +TURN_TY1_P186 TURN_TY1_P GLY V 395 ? GLY V 395 ? GLY b 396 GLY b 396 +STRN108 STRN THR V 397 ? TYR V 401 ? THR b 398 TYR b 402 +BEND175 BEND GLY V 402 ? GLY V 403 ? GLY b 403 GLY b 404 +TURN_TY1_P187 TURN_TY1_P GLU V 404 ? GLY V 407 ? GLU b 405 GLY b 408 +STRN109 STRN THR V 409 ? PHE V 410 ? THR b 410 PHE b 411 +BEND176 BEND ASP V 412 ? ASP V 412 ? ASP b 413 ASP b 413 +HELX_RH_AL_P109 HELX_RH_AL_P PRO V 413 ? ALA V 423 ? PRO b 414 ALA b 424 +TURN_TY1_P188 TURN_TY1_P ILE V 424 ? PHE V 425 ? ILE b 425 PHE b 426 +STRN110 STRN GLY V 426 ? GLY V 426 ? GLY b 427 GLY b 427 +BEND177 BEND GLU V 427 ? GLU V 427 ? GLU b 428 GLU b 428 +STRN111 STRN ILE V 428 ? ASP V 432 ? ILE b 429 ASP b 433 +TURN_TY1_P189 TURN_TY1_P GLU V 434 ? ASN V 437 ? GLU b 435 ASN b 438 +BEND178 BEND GLY V 440 ? GLY V 440 ? GLY b 441 GLY b 441 +HELX_RH_AL_P110 HELX_RH_AL_P PRO V 446 ? LEU V 473 ? PRO b 447 LEU b 474 +TURN_TY1_P190 TURN_TY1_P PHE V 474 ? PHE V 474 ? PHE b 475 PHE b 475 +HELX_RH_3T_P60 HELX_RH_3T_P ARG V 475 ? VAL V 477 ? ARG b 476 VAL b 478 +TURN_TY1_P191 TURN_TY1_P PHE V 478 ? SER V 479 ? PHE b 479 SER b 480 +STRN112 STRN ILE V 481 ? ILE V 481 ? ILE b 482 ILE b 482 +TURN_TY1_P192 TURN_TY1_P PRO V 483 ? GLU V 484 ? PRO b 484 GLU b 485 +HELX_RH_AL_P111 HELX_RH_AL_P PRO V 487 ? VAL V 490 ? PRO b 488 VAL b 491 +BEND179 BEND GLU V 491 ? GLU V 491 ? GLU b 492 GLU b 492 +TURN_TY1_P193 TURN_TY1_P TRP V 492 ? GLY V 493 ? TRP b 493 GLY b 494 +BEND180 BEND PHE V 494 ? PHE V 494 ? PHE b 495 PHE b 495 +BEND181 BEND GLN V 496 ? GLN V 496 ? GLN b 497 GLN b 497 +STRN113 STRN LYS V 497 ? LYS V 497 ? LYS b 498 LYS b 498 +TURN_TY1_P194 TURN_TY1_P VAL V 498 ? GLY V 499 ? VAL b 499 GLY b 500 +HELX_RH_3T_P61 HELX_RH_3T_P VAL V 501 ? THR V 503 ? VAL b 502 THR b 504 +TURN_TY1_P195 TURN_TY1_P ILE W 3 ? PHE W 4 ? ILE c 21 PHE c 22 +BEND182 BEND THR W 6 ? ASN W 7 ? THR c 24 ASN c 25 +BEND183 BEND ASP W 9 ? ASP W 9 ? ASP c 27 ASP c 27 +HELX_RH_AL_P112 HELX_RH_AL_P GLN W 10 ? SER W 13 ? GLN c 28 SER c 31 +BEND184 BEND GLY W 14 ? GLY W 14 ? GLY c 32 GLY c 32 +HELX_RH_3T_P62 HELX_RH_3T_P TRP W 17 ? LEU W 24 ? TRP c 35 LEU c 42 +TURN_TY1_P196 TURN_TY1_P ILE W 25 ? ASN W 26 ? ILE c 43 ASN c 44 +HELX_RH_AL_P113 HELX_RH_AL_P SER W 28 ? ALA W 55 ? SER c 46 ALA c 73 +TURN_TY1_P197 TURN_TY1_P HIS W 56 ? HIS W 56 ? HIS c 74 HIS c 74 +TURN_TY1_P198 TURN_TY1_P PRO W 59 ? GLU W 60 ? PRO c 77 GLU c 78 +BEND185 BEND LYS W 61 ? LYS W 61 ? LYS c 79 LYS c 79 +HELX_RH_3T_P63 HELX_RH_3T_P MET W 63 ? GLU W 65 ? MET c 81 GLU c 83 +TURN_TY1_P199 TURN_TY1_P GLN W 66 ? GLY W 67 ? GLN c 84 GLY c 85 +BEND186 BEND ILE W 69 ? LEU W 70 ? ILE c 87 LEU c 88 +HELX_RH_AL_P114 HELX_RH_AL_P ILE W 71 ? THR W 76 ? ILE c 89 THR c 94 +TURN_TY1_P200 TURN_TY1_P LEU W 77 ? GLY W 78 ? LEU c 95 GLY c 96 +BEND187 BEND TRP W 79 ? GLY W 80 ? TRP c 97 GLY c 98 +STRN114 STRN VAL W 81 ? VAL W 81 ? VAL c 99 VAL c 99 +HELX_RH_3T_P64 HELX_RH_3T_P PRO W 83 ? GLY W 85 ? PRO c 101 GLY c 103 +STRN115 STRN VAL W 87 ? VAL W 87 ? VAL c 105 VAL c 105 +BEND188 BEND THR W 90 ? THR W 90 ? THR c 108 THR c 108 +HELX_RH_AL_P115 HELX_RH_AL_P PHE W 91 ? VAL W 112 ? PHE c 109 VAL c 130 +HELX_RH_PI_P7 HELX_RH_PI_P TYR W 113 ? ARG W 117 ? TYR c 131 ARG c 135 +BEND189 BEND GLY W 118 ? GLY W 118 ? GLY c 136 GLY c 136 +BEND190 BEND GLU W 120 ? GLU W 120 ? GLU c 138 GLU c 138 +BEND191 BEND LEU W 122 ? LEU W 122 ? LEU c 140 LEU c 140 +TURN_TY1_P201 TURN_TY1_P GLU W 123 ? TYR W 125 ? GLU c 141 TYR c 143 +TURN_TY1_P202 TURN_TY1_P SER W 127 ? PHE W 129 ? SER c 145 PHE c 147 +TURN_TY1_P203 TURN_TY1_P TRP W 133 ? LYS W 134 ? TRP c 151 LYS c 152 +HELX_RH_AL_P116 HELX_RH_AL_P LYS W 136 ? PHE W 163 ? LYS c 154 PHE c 181 +BEND192 BEND PHE W 164 ? GLY W 165 ? PHE c 182 GLY c 183 +STRN116 STRN LEU W 167 ? ASP W 169 ? LEU c 185 ASP c 187 +TURN_TY1_P204 TURN_TY1_P THR W 170 ? TRP W 171 ? THR c 188 TRP c 189 +BEND193 BEND ALA W 172 ? ALA W 172 ? ALA c 190 ALA c 190 +TURN_TY1_P205 TURN_TY1_P PRO W 173 ? GLY W 175 ? PRO c 191 GLY c 193 +BEND194 BEND GLY W 176 ? GLY W 176 ? GLY c 194 GLY c 194 +STRN117 STRN ASP W 177 ? ARG W 179 ? ASP c 195 ARG c 197 +BEND195 BEND THR W 182 ? ASN W 183 ? THR c 200 ASN c 201 +HELX_RH_AL_P117 HELX_RH_AL_P PRO W 188 ? ILE W 191 ? PRO c 206 ILE c 209 +TURN_TY1_P206 TURN_TY1_P PHE W 192 ? LEU W 196 ? PHE c 210 LEU c 214 +BEND196 BEND LYS W 197 ? LYS W 197 ? LYS c 215 LYS c 215 +BEND197 BEND PRO W 199 ? PHE W 200 ? PRO c 217 PHE c 218 +TURN_TY1_P207 TURN_TY1_P GLY W 201 ? GLU W 203 ? GLY c 219 GLU c 221 +HELX_RH_3T_P65 HELX_RH_3T_P TRP W 205 ? SER W 208 ? TRP c 223 SER c 226 +HELX_RH_AL_P118 HELX_RH_AL_P LEU W 212 ? LEU W 235 ? LEU c 230 LEU c 253 +HELX_RH_AL_P119 HELX_RH_AL_P GLY W 240 ? ARG W 243 ? GLY c 258 ARG c 261 +TURN_TY1_P208 TURN_TY1_P ARG W 244 ? ALA W 245 ? ARG c 262 ALA c 263 +BEND198 BEND PHE W 246 ? PHE W 246 ? PHE c 264 PHE c 264 +BEND199 BEND SER W 249 ? SER W 249 ? SER c 267 SER c 267 +HELX_RH_AL_P120 HELX_RH_AL_P GLY W 250 ? PHE W 274 ? GLY c 268 PHE c 292 +TURN_TY1_P209 TURN_TY1_P THR W 277 ? PRO W 280 ? THR c 295 PRO c 298 +HELX_RH_AL_P121 HELX_RH_AL_P SER W 281 ? TYR W 284 ? SER c 299 TYR c 302 +HELX_RH_AL_P122 HELX_RH_AL_P GLY W 288 ? LYS W 305 ? GLY c 306 LYS c 323 +TURN_TY1_P210 TURN_TY1_P LEU W 306 ? GLY W 307 ? LEU c 324 GLY c 325 +TURN_TY1_P211 TURN_TY1_P VAL W 310 ? SER W 312 ? VAL c 328 SER c 330 +STRN118 STRN GLN W 314 ? GLN W 314 ? GLN c 332 GLN c 332 +TURN_TY1_P212 TURN_TY1_P PRO W 316 ? THR W 317 ? PRO c 334 THR c 335 +BEND200 BEND GLY W 318 ? LEU W 319 ? GLY c 336 LEU c 337 +STRN119 STRN GLY W 320 ? GLY W 320 ? GLY c 338 GLY c 338 +BEND201 BEND LYS W 321 ? TYR W 322 ? LYS c 339 TYR c 340 +STRN120 STRN LEU W 323 ? ARG W 325 ? LEU c 341 ARG c 343 +TURN_TY1_P213 TURN_TY1_P PRO W 327 ? THR W 328 ? PRO c 345 THR c 346 +STRN121 STRN ILE W 331 ? PHE W 333 ? ILE c 349 PHE c 351 +BEND202 BEND GLY W 335 ? GLY W 335 ? GLY c 353 GLY c 353 +HELX_RH_3T_P66 HELX_RH_3T_P GLU W 336 ? PHE W 340 ? GLU c 354 PHE c 358 +TURN_TY1_P214 TURN_TY1_P TRP W 341 ? ASP W 342 ? TRP c 359 ASP c 360 +TURN_TY1_P215 TURN_TY1_P PRO W 346 ? LEU W 348 ? PRO c 364 LEU c 366 +HELX_RH_3T_P67 HELX_RH_3T_P GLU W 349 ? LEU W 351 ? GLU c 367 LEU c 369 +STRN122 STRN ARG W 352 ? GLY W 353 ? ARG c 370 GLY c 371 +TURN_TY1_P216 TURN_TY1_P PRO W 354 ? ASN W 355 ? PRO c 372 ASN c 373 +STRN123 STRN GLY W 356 ? LEU W 357 ? GLY c 374 LEU c 375 +HELX_RH_AL_P123 HELX_RH_AL_P LEU W 359 ? ASN W 364 ? LEU c 377 ASN c 382 +HELX_RH_AL_P124 HELX_RH_AL_P PRO W 368 ? MET W 378 ? PRO c 386 MET c 396 +TURN_TY1_P217 TURN_TY1_P THR W 379 ? HIS W 380 ? THR c 397 HIS c 398 +BEND203 BEND PRO W 382 ? PRO W 382 ? PRO c 400 PRO c 400 +STRN124 STRN GLY W 384 ? SER W 385 ? GLY c 402 SER c 403 +TURN_TY1_P218 TURN_TY1_P LEU W 386 ? ASN W 387 ? LEU c 404 ASN c 405 +STRN125 STRN VAL W 389 ? GLY W 390 ? VAL c 407 GLY c 408 +BEND204 BEND GLY W 391 ? VAL W 392 ? GLY c 409 VAL c 410 +TURN_TY1_P219 TURN_TY1_P ALA W 393 ? THR W 394 ? ALA c 411 THR c 412 +HELX_LH_PP_P25 HELX_LH_PP_P GLU W 395 ? ILE W 396 ? GLU c 413 ILE c 414 +BEND205 BEND ASN W 397 ? ASN W 397 ? ASN c 415 ASN c 415 +STRN126 STRN ASN W 400 ? ASN W 400 ? ASN c 418 ASN c 418 +HELX_RH_AL_P125 HELX_RH_AL_P PRO W 404 ? ALA W 435 ? PRO c 422 ALA c 453 +TURN_TY1_P220 TURN_TY1_P GLY W 436 ? GLY W 436 ? GLY c 454 GLY c 454 +TURN_TY1_P221 TURN_TY1_P GLU W 438 ? LYS W 439 ? GLU c 456 LYS c 457 +STRN127 STRN ILE W 441 ? ILE W 441 ? ILE c 459 ILE c 459 +HELX_RH_3T_P68 HELX_RH_3T_P ARG W 443 ? SER W 445 ? ARG c 461 SER c 463 +HELX_RH_3T_P69 HELX_RH_3T_P PRO W 447 ? SER W 450 ? PRO c 465 SER c 468 +BEND206 BEND MET W 451 ? MET W 451 ? MET c 469 MET c 469 +HELX_LH_PP_P26 HELX_LH_PP_P PRO W 452 ? SER W 453 ? PRO c 470 SER c 471 +HELX_RH_AL_P126 HELX_RH_AL_P TRP X 3 ? LEU X 11 ? TRP d 14 LEU d 22 +TURN_TY1_P222 TURN_TY1_P LYS X 12 ? LYS X 12 ? LYS d 23 LYS d 23 +STRN128 STRN ARG X 13 ? ARG X 13 ? ARG d 24 ARG d 24 +BEND207 BEND PHE X 16 ? VAL X 17 ? PHE d 27 VAL d 28 +TURN_TY1_P223 TURN_TY1_P GLY X 20 ? TRP X 21 ? GLY d 31 TRP d 32 +HELX_RH_AL_P127 HELX_RH_AL_P SER X 22 ? PHE X 43 ? SER d 33 PHE d 54 +STRN129 STRN SER X 46 ? SER X 46 ? SER d 57 SER d 57 +HELX_RH_AL_P128 HELX_RH_AL_P TRP X 47 ? HIS X 50 ? TRP d 58 HIS d 61 +BEND208 BEND GLY X 51 ? GLY X 51 ? GLY d 62 GLY d 62 +STRN130 STRN LEU X 52 ? LEU X 52 ? LEU d 63 LEU d 63 +BEND209 BEND SER X 55 ? SER X 55 ? SER d 66 SER d 66 +TURN_TY1_P224 TURN_TY1_P TYR X 56 ? GLY X 59 ? TYR d 67 GLY d 70 +TURN_TY1_P225 TURN_TY1_P PHE X 62 ? THR X 64 ? PHE d 73 THR d 75 +STRN131 STRN ALA X 66 ? VAL X 67 ? ALA d 77 VAL d 78 +HELX_LH_PP_P27 HELX_LH_PP_P SER X 68 ? ALA X 71 ? SER d 79 ALA d 82 +HELX_RH_3T_P70 HELX_RH_3T_P ASN X 72 ? MET X 74 ? ASN d 83 MET d 85 +TURN_TY1_P226 TURN_TY1_P GLY X 75 ? HIS X 76 ? GLY d 86 HIS d 87 +TURN_TY1_P227 TURN_TY1_P LEU X 81 ? TRP X 82 ? LEU d 92 TRP d 93 +BEND210 BEND GLY X 83 ? GLY X 83 ? GLY d 94 GLY d 94 +TURN_TY1_P228 TURN_TY1_P PRO X 84 ? GLY X 88 ? PRO d 95 GLY d 99 +HELX_RH_AL_P129 HELX_RH_AL_P PHE X 90 ? GLN X 95 ? PHE d 101 GLN d 106 +TURN_TY1_P229 TURN_TY1_P LEU X 96 ? GLY X 97 ? LEU d 107 GLY d 108 +HELX_RH_AL_P130 HELX_RH_AL_P GLY X 98 ? VAL X 125 ? GLY d 109 VAL d 136 +TURN_TY1_P230 TURN_TY1_P GLY X 126 ? GLY X 126 ? GLY d 137 GLY d 137 +HELX_RH_AL_P131 HELX_RH_AL_P TYR X 130 ? VAL X 143 ? TYR d 141 VAL d 154 +HELX_RH_PI_P8 HELX_RH_PI_P SER X 144 ? ILE X 148 ? SER d 155 ILE d 159 +HELX_RH_AL_P132 HELX_RH_AL_P TYR X 149 ? GLY X 152 ? TYR d 160 GLY d 163 +BEND211 BEND GLN X 153 ? SER X 155 ? GLN d 164 SER d 166 +HELX_RH_3T_P71 HELX_RH_3T_P TRP X 156 ? PHE X 158 ? TRP d 167 PHE d 169 +BEND212 BEND ALA X 159 ? ALA X 159 ? ALA d 170 ALA d 170 +HELX_LH_PP_P28 HELX_LH_PP_P PRO X 160 ? SER X 161 ? PRO d 171 SER d 172 +STRN132 STRN PHE X 162 ? GLY X 163 ? PHE d 173 GLY d 174 +HELX_RH_AL_P133 HELX_RH_AL_P VAL X 164 ? HIS X 178 ? VAL d 175 HIS d 189 +HELX_RH_3T_P72 HELX_RH_3T_P TRP X 180 ? LEU X 182 ? TRP d 191 LEU d 193 +HELX_RH_AL_P134 HELX_RH_AL_P PRO X 184 ? GLU X 208 ? PRO d 195 GLU d 219 +TURN_TY1_P231 TURN_TY1_P ASN X 209 ? ASN X 209 ? ASN d 220 ASN d 220 +BEND213 BEND THR X 210 ? THR X 210 ? THR d 221 THR d 221 +STRN133 STRN LEU X 211 ? PHE X 212 ? LEU d 222 PHE d 223 +BEND214 BEND GLY X 215 ? ALA X 218 ? GLY d 226 ALA d 229 +TURN_TY1_P232 TURN_TY1_P THR X 220 ? PHE X 221 ? THR d 231 PHE d 232 +BEND215 BEND ARG X 222 ? ALA X 223 ? ARG d 233 ALA d 234 +TURN_TY1_P233 TURN_TY1_P PRO X 226 ? THR X 227 ? PRO d 237 THR d 238 +STRN134 STRN GLU X 230 ? GLU X 230 ? GLU d 241 GLU d 241 +BEND216 BEND THR X 232 ? THR X 232 ? THR d 243 THR d 243 +STRN135 STRN TYR X 233 ? TYR X 233 ? TYR d 244 TYR d 244 +HELX_RH_AL_P135 HELX_RH_AL_P MET X 235 ? PHE X 246 ? MET d 246 PHE d 257 +BEND217 BEND GLY X 247 ? GLY X 247 ? GLY d 258 GLY d 258 +HELX_RH_AL_P136 HELX_RH_AL_P LYS X 253 ? ALA X 279 ? LYS d 264 ALA d 290 +TURN_TY1_P234 TURN_TY1_P LEU X 280 ? ASN X 281 ? LEU d 291 ASN d 292 +STRN136 STRN ARG X 283 ? ARG X 283 ? ARG d 294 ARG d 294 +HELX_RH_AL_P137 HELX_RH_AL_P ILE X 288 ? GLU X 296 ? ILE d 299 GLU d 307 +TURN_TY1_P235 TURN_TY1_P PRO X 298 ? GLU X 299 ? PRO d 309 GLU d 310 +HELX_RH_AL_P138 HELX_RH_AL_P PHE X 303 ? ASP X 322 ? PHE d 314 ASP d 333 +BEND218 BEND GLN X 323 ? GLN X 323 ? GLN d 334 GLN d 334 +HELX_RH_3T_P73 HELX_RH_3T_P PRO X 324 ? GLU X 326 ? PRO d 335 GLU d 337 +HELX_RH_3T_P74 HELX_RH_3T_P GLU X 332 ? VAL X 334 ? GLU d 343 VAL d 345 +BEND219 BEND LEU X 335 ? LEU X 335 ? LEU d 346 LEU d 346 +BEND220 BEND ASN X 339 ? ASN X 339 ? ASN d 350 ASN d 350 +HELX_LH_PP_P29 HELX_LH_PP_P GLU Y 2 ? PRO Y 4 ? GLU e 7 PRO e 9 +HELX_RH_AL_P139 HELX_RH_AL_P PHE Y 5 ? ILE Y 9 ? PHE e 10 ILE e 14 +TURN_TY1_P236 TURN_TY1_P THR Y 10 ? THR Y 10 ? THR e 15 THR e 15 +BEND221 BEND SER Y 11 ? SER Y 11 ? SER e 16 SER e 16 +HELX_RH_AL_P140 HELX_RH_AL_P VAL Y 12 ? SER Y 34 ? VAL e 17 SER e 39 +TURN_TY1_P237 TURN_TY1_P THR Y 35 ? THR Y 35 ? THR e 40 THR e 40 +BEND222 BEND GLY Y 36 ? GLY Y 36 ? GLY e 41 GLY e 41 +HELX_RH_AL_P141 HELX_RH_AL_P LEU Y 37 ? PHE Y 42 ? LEU e 42 PHE e 47 +TURN_TY1_P238 TURN_TY1_P GLY Y 43 ? GLY Y 43 ? GLY e 48 GLY e 48 +HELX_LH_PP_P30 HELX_LH_PP_P THR Y 44 ? ARG Y 46 ? THR e 49 ARG e 51 +TURN_TY1_P239 TURN_TY1_P PRO Y 47 ? ASP Y 48 ? PRO e 52 ASP e 53 +BEND223 BEND SER Y 49 ? TYR Y 51 ? SER e 54 TYR e 56 +BEND224 BEND GLN Y 53 ? GLU Y 54 ? GLN e 58 GLU e 59 +BEND225 BEND ARG Y 64 ? ARG Y 64 ? ARG e 69 ARG e 69 +TURN_TY1_P240 TURN_TY1_P PHE Y 65 ? GLU Y 66 ? PHE e 70 GLU e 71 +HELX_RH_AL_P142 HELX_RH_AL_P ALA Y 67 ? GLU Y 76 ? ALA e 72 GLU e 81 +TURN_TY1_P241 TURN_TY1_P GLN Y 77 ? LEU Y 78 ? GLN e 82 LEU e 83 +HELX_RH_AL_P143 HELX_RH_AL_P VAL Z 4 ? MET Z 26 ? VAL f 18 MET f 40 +TURN_TY1_P242 TURN_TY1_P GLN Z 27 ? PHE Z 28 ? GLN f 41 PHE f 42 +STRN137 STRN ARG AA 2 ? ARG AA 2 ? ARG h 3 ARG h 3 +HELX_RH_AL_P144 HELX_RH_AL_P TRP AA 5 ? LEU AA 10 ? TRP h 6 LEU h 11 +HELX_RH_3T_P75 HELX_RH_3T_P ARG AA 11 ? ASN AA 14 ? ARG h 12 ASN h 15 +TURN_TY1_P243 TURN_TY1_P TYR AA 17 ? GLY AA 18 ? TYR h 18 GLY h 19 +STRN138 STRN ALA AA 21 ? ALA AA 21 ? ALA h 22 ALA h 22 +BEND226 BEND PRO AA 22 ? PRO AA 22 ? PRO h 23 PRO h 23 +TURN_TY1_P244 TURN_TY1_P GLY AA 23 ? THR AA 26 ? GLY h 24 THR h 27 +HELX_RH_AL_P145 HELX_RH_AL_P THR AA 27 ? TYR AA 48 ? THR h 28 TYR h 49 +TURN_TY1_P245 TURN_TY1_P ASN AA 49 ? SER AA 50 ? ASN h 50 SER h 51 +BEND227 BEND THR AA 51 ? LEU AA 52 ? THR h 52 LEU h 53 +TURN_TY1_P246 TURN_TY1_P ASP AA 55 ? GLY AA 56 ? ASP h 56 GLY h 57 +BEND228 BEND SER AA 60 ? SER AA 60 ? SER h 61 SER h 61 +HELX_RH_3T_P76 HELX_RH_3T_P TRP AA 61 ? ALA AA 63 ? TRP h 62 ALA h 64 +HELX_RH_AL_P146 HELX_RH_AL_P GLU AB 2 ? LEU AB 24 ? GLU i 2 LEU i 24 +TURN_TY1_P247 TURN_TY1_P SER AB 25 ? GLY AB 26 ? SER i 25 GLY i 26 +HELX_RH_3T_P77 HELX_RH_3T_P ASP AB 27 ? ALA AB 29 ? ASP i 27 ALA i 29 +BEND229 BEND ASN AB 31 ? LYS AB 33 ? ASN i 31 LYS i 33 +TURN_TY1_P248 TURN_TY1_P GLY AC 4 ? GLY AC 5 ? GLY j 4 GLY j 5 +BEND230 BEND ARG AC 6 ? ILE AC 7 ? ARG j 6 ILE j 7 +HELX_RH_AL_P147 HELX_RH_AL_P LEU AC 9 ? TYR AC 29 ? LEU j 9 TYR j 29 +TURN_TY1_P249 TURN_TY1_P GLY AC 30 ? ALA AC 31 ? GLY j 30 ALA j 31 +BEND231 BEND TYR AC 32 ? GLY AC 34 ? TYR j 32 GLY j 34 +TURN_TY1_P250 TURN_TY1_P LEU AC 35 ? GLY AC 36 ? LEU j 35 GLY j 36 +BEND232 BEND SER AC 37 ? SER AC 37 ? SER j 37 SER j 37 +HELX_RH_3T_P78 HELX_RH_3T_P GLU AD 4 ? PHE AD 9 ? GLU k 13 PHE k 18 +HELX_RH_AL_P148 HELX_RH_AL_P ASP AD 10 ? VAL AD 13 ? ASP k 19 VAL k 22 +TURN_TY1_P251 TURN_TY1_P ASP AD 14 ? VAL AD 15 ? ASP k 23 VAL k 24 +HELX_RH_3T_P79 HELX_RH_3T_P LEU AD 16 ? VAL AD 18 ? LEU k 25 VAL k 27 +HELX_RH_AL_P149 HELX_RH_AL_P ILE AD 19 ? ALA AD 33 ? ILE k 28 ALA k 42 +TURN_TY1_P252 TURN_TY1_P VAL AD 34 ? PHE AD 36 ? VAL k 43 PHE k 45 +TURN_TY1_P253 TURN_TY1_P PRO AE 4 ? ASN AE 5 ? PRO l 5 ASN l 6 +STRN139 STRN VAL AE 9 ? VAL AE 9 ? VAL l 10 VAL l 10 +HELX_RH_AL_P150 HELX_RH_AL_P ARG AE 13 ? PHE AE 35 ? ARG l 14 PHE l 36 +TURN_TY1_P254 TURN_TY1_P GLN AF 5 ? GLN AF 5 ? GLN m 5 GLN m 5 +HELX_RH_AL_P151 HELX_RH_AL_P LEU AF 6 ? GLU AF 30 ? LEU m 6 GLU m 30 +TURN_TY1_P255 TURN_TY1_P SER AF 31 ? SER AF 31 ? SER m 31 SER m 31 +BEND233 BEND GLN AF 32 ? GLN AF 32 ? GLN m 32 GLN m 32 +HELX_RH_AL_P152 HELX_RH_AL_P TYR AG 4 ? ILE AG 7 ? TYR o 7 ILE o 10 +TURN_TY1_P256 TURN_TY1_P VAL AG 8 ? GLY AG 9 ? VAL o 11 GLY o 12 +BEND234 BEND THR AG 10 ? GLY AG 11 ? THR o 13 GLY o 14 +HELX_RH_3T_P80 HELX_RH_3T_P LEU AG 12 ? ASN AG 14 ? LEU o 15 ASN o 17 +BEND235 BEND LYS AG 15 ? LYS AG 15 ? LYS o 18 LYS o 18 +TURN_TY1_P257 TURN_TY1_P ASP AG 21 ? THR AG 22 ? ASP o 24 THR o 25 +STRN140 STRN ARG AG 24 ? ARG AG 24 ? ARG o 27 ARG o 27 +STRN141 STRN TYR AG 27 ? PRO AG 28 ? TYR o 30 PRO o 31 +TURN_TY1_P258 TURN_TY1_P SER AG 31 ? SER AG 32 ? SER o 34 SER o 35 +BEND236 BEND GLN AG 33 ? GLN AG 33 ? GLN o 36 GLN o 36 +STRN142 STRN TYR AG 35 ? LYS AG 50 ? TYR o 38 LYS o 53 +HELX_LH_PP_P31 HELX_LH_PP_P GLU AG 51 ? PRO AG 53 ? GLU o 54 PRO o 56 +BEND237 BEND LYS AG 54 ? GLN AG 58 ? LYS o 57 GLN o 61 +HELX_LH_PP_P32 HELX_LH_PP_P GLU AG 59 ? ALA AG 60 ? GLU o 62 ALA o 63 +STRN143 STRN PHE AG 62 ? PRO AG 64 ? PHE o 65 PRO o 67 +STRN144 STRN LYS AG 66 ? LEU AG 67 ? LYS o 69 LEU o 70 +BEND238 BEND THR AG 69 ? THR AG 69 ? THR o 72 THR o 72 +BEND239 BEND GLU AG 71 ? GLU AG 71 ? GLU o 74 GLU o 74 +STRN145 STRN LEU AG 75 ? VAL AG 84 ? LEU o 78 VAL o 87 +TURN_TY1_P259 TURN_TY1_P SER AG 86 ? ASP AG 87 ? SER o 89 ASP o 90 +BEND240 BEND GLY AG 88 ? GLY AG 88 ? GLY o 91 GLY o 91 +STRN146 STRN LEU AG 90 ? ILE AG 98 ? LEU o 93 ILE o 101 +STRN147 STRN PHE AG 100 ? GLN AG 106 ? PHE o 103 GLN o 109 +TURN_TY1_P260 TURN_TY1_P ALA AG 108 ? GLY AG 109 ? ALA o 111 GLY o 112 +BEND241 BEND GLY AG 110 ? GLY AG 110 ? GLY o 113 GLY o 113 +STRN148 STRN ARG AG 112 ? THR AG 118 ? ARG o 115 THR o 121 +TURN_TY1_P261 TURN_TY1_P LYS AG 120 ? ASN AG 121 ? LYS o 123 ASN o 124 +STRN149 STRN VAL AG 123 ? SER AG 125 ? VAL o 126 SER o 128 +BEND242 BEND PRO AG 128 ? PRO AG 128 ? PRO o 131 PRO o 131 +BEND243 BEND THR AG 131 ? THR AG 131 ? THR o 134 THR o 134 +STRN150 STRN SER AG 132 ? ILE AG 133 ? SER o 135 ILE o 136 +TURN_TY1_P262 TURN_TY1_P THR AG 135 ? SER AG 136 ? THR o 138 SER o 139 +STRN151 STRN ASP AG 138 ? PRO AG 146 ? ASP o 141 PRO o 149 +BEND244 BEND TYR AG 148 ? ARG AG 149 ? TYR o 151 ARG o 152 +TURN_TY1_P263 TURN_TY1_P ALA AG 151 ? ASN AG 152 ? ALA o 154 ASN o 155 +TURN_TY1_P264 TURN_TY1_P PRO AG 156 ? LYS AG 157 ? PRO o 159 LYS o 160 +BEND245 BEND GLY AG 158 ? GLY AG 158 ? GLY o 161 GLY o 161 +STRN152 STRN ARG AG 159 ? ARG AG 159 ? ARG o 162 ARG o 162 +BEND246 BEND LEU AG 161 ? GLY AG 164 ? LEU o 164 GLY o 167 +STRN153 STRN TYR AG 165 ? TYR AG 165 ? TYR o 168 TYR o 168 +BEND247 BEND ASP AG 166 ? SER AG 167 ? ASP o 169 SER o 170 +TURN_TY1_P265 TURN_TY1_P ILE AG 169 ? ALA AG 170 ? ILE o 172 ALA o 173 +BEND248 BEND LEU AG 171 ? LEU AG 171 ? LEU o 174 LEU o 174 +TURN_TY1_P266 TURN_TY1_P PRO AG 172 ? GLN AG 173 ? PRO o 175 GLN o 176 +BEND249 BEND ALA AG 174 ? ALA AG 174 ? ALA o 177 ALA o 177 +HELX_RH_3T_P81 HELX_RH_3T_P GLU AG 176 ? LEU AG 179 ? GLU o 179 LEU o 182 +HELX_RH_AL_P153 HELX_RH_AL_P ALA AG 180 ? ASN AG 183 ? ALA o 183 ASN o 186 +BEND250 BEND VAL AG 184 ? VAL AG 184 ? VAL o 187 VAL o 187 +STRN154 STRN LEU AG 189 ? ASP AG 202 ? LEU o 192 ASP o 205 +TURN_TY1_P267 TURN_TY1_P GLY AG 203 ? GLY AG 206 ? GLY o 206 GLY o 209 +STRN155 STRN GLU AG 207 ? LEU AG 217 ? GLU o 210 LEU o 220 +TURN_TY1_P268 TURN_TY1_P ASP AG 221 ? ALA AG 224 ? ASP o 224 ALA o 227 +BEND251 BEND HIS AG 225 ? HIS AG 225 ? HIS o 228 HIS o 228 +HELX_LH_PP_P33 HELX_LH_PP_P GLU AG 226 ? HIS AG 228 ? GLU o 229 HIS o 231 +STRN156 STRN GLU AG 229 ? PRO AG 242 ? GLU o 232 PRO o 245 +HELX_RH_AL_P154 HELX_RH_AL_P GLU AH 2 ? PHE AH 22 ? GLU t 2 PHE t 22 +TURN_TY1_P269 TURN_TY1_P PHE AH 23 ? PHE AH 23 ? PHE t 23 PHE t 23 +BEND252 BEND ARG AH 24 ? ARG AH 24 ? ARG t 24 ARG t 24 +HELX_LH_PP_P34 HELX_LH_PP_P GLU AH 25 ? PRO AH 27 ? GLU t 25 PRO t 27 +HELX_RH_AL_P155 HELX_RH_AL_P VAL AI 5 ? LYS AI 9 ? VAL u 12 LYS u 16 +TURN_TY1_P270 TURN_TY1_P LEU AI 10 ? GLY AI 11 ? LEU u 17 GLY u 18 +BEND253 BEND THR AI 12 ? THR AI 12 ? THR u 19 THR u 19 +HELX_RH_3T_P82 HELX_RH_3T_P ALA AI 13 ? GLY AI 15 ? ALA u 20 GLY u 22 +TURN_TY1_P271 TURN_TY1_P GLU AI 16 ? GLU AI 16 ? GLU u 23 GLU u 23 +BEND254 BEND LYS AI 17 ? LYS AI 17 ? LYS u 24 LYS u 24 +STRN157 STRN ILE AI 18 ? ASP AI 19 ? ILE u 25 ASP u 26 +TURN_TY1_P272 TURN_TY1_P LEU AI 20 ? ASN AI 22 ? LEU u 27 ASN u 29 +BEND255 BEND THR AI 23 ? THR AI 23 ? THR u 30 THR u 30 +HELX_RH_3T_P83 HELX_RH_3T_P ILE AI 25 ? GLN AI 30 ? ILE u 32 GLN u 37 +BEND256 BEND TYR AI 31 ? TYR AI 31 ? TYR u 38 TYR u 38 +TURN_TY1_P273 TURN_TY1_P ARG AI 32 ? GLY AI 33 ? ARG u 39 GLY u 40 +TURN_TY1_P274 TURN_TY1_P TYR AI 35 ? PRO AI 36 ? TYR u 42 PRO u 43 +HELX_RH_AL_P156 HELX_RH_AL_P THR AI 37 ? LYS AI 44 ? THR u 44 LYS u 51 +TURN_TY1_P275 TURN_TY1_P ASN AI 45 ? ASN AI 45 ? ASN u 52 ASN u 52 +BEND257 BEND GLU AI 49 ? SER AI 50 ? GLU u 56 SER u 57 +HELX_RH_3T_P84 HELX_RH_3T_P VAL AI 51 ? ASN AI 56 ? VAL u 58 ASN u 63 +TURN_TY1_P276 TURN_TY1_P PRO AI 58 ? GLY AI 59 ? PRO u 65 GLY u 66 +HELX_RH_AL_P157 HELX_RH_AL_P GLU AI 62 ? GLU AI 70 ? GLU u 69 GLU u 77 +TURN_TY1_P277 TURN_TY1_P ASN AI 71 ? ASN AI 71 ? ASN u 78 ASN u 78 +HELX_RH_3T_P85 HELX_RH_3T_P LEU AI 72 ? HIS AI 74 ? LEU u 79 HIS u 81 +STRN158 STRN PHE AI 75 ? THR AI 76 ? PHE u 82 THR u 83 +HELX_RH_AL_P158 HELX_RH_AL_P THR AI 82 ? VAL AI 85 ? THR u 89 VAL u 92 +HELX_RH_3T_P86 HELX_RH_3T_P GLU AI 86 ? GLY AI 88 ? GLU u 93 GLY u 95 +TURN_TY1_P278 TURN_TY1_P ASP AI 89 ? TYR AI 91 ? ASP u 96 TYR u 98 +BEND258 BEND GLY AI 94 ? GLY AI 94 ? GLY u 101 GLY u 101 +TURN_TY1_P279 TURN_TY1_P PRO AJ 5 ? LEU AJ 8 ? PRO v 5 LEU v 8 +STRN159 STRN THR AJ 9 ? PRO AJ 11 ? THR v 9 PRO v 11 +BEND259 BEND ASN AJ 13 ? ASN AJ 13 ? ASN v 13 ASN v 13 +TURN_TY1_P280 TURN_TY1_P SER AJ 14 ? GLU AJ 15 ? SER v 14 GLU v 15 +STRN160 STRN THR AJ 18 ? THR AJ 20 ? THR v 18 THR v 20 +HELX_RH_AL_P159 HELX_RH_AL_P GLU AJ 23 ? ALA AJ 36 ? GLU v 23 ALA v 36 +TURN_TY1_P281 TURN_TY1_P CYS AJ 37 ? CYS AJ 37 ? CYS v 37 CYS v 37 +HELX_RH_AL_P160 HELX_RH_AL_P ALA AJ 38 ? HIS AJ 41 ? ALA v 38 HIS v 41 +HELX_RH_3T_P87 HELX_RH_3T_P VAL AJ 42 ? GLY AJ 44 ? VAL v 42 GLY v 44 +TURN_TY1_P282 TURN_TY1_P LYS AJ 47 ? THR AJ 48 ? LYS v 47 THR v 48 +TURN_TY1_P283 TURN_TY1_P PRO AJ 50 ? SER AJ 51 ? PRO v 50 SER v 51 +HELX_RH_AL_P161 HELX_RH_AL_P THR AJ 56 ? ALA AJ 60 ? THR v 56 ALA v 60 +TURN_TY1_P284 TURN_TY1_P LEU AJ 61 ? LEU AJ 61 ? LEU v 61 LEU v 61 +BEND260 BEND ALA AJ 62 ? PRO AJ 64 ? ALA v 62 PRO v 64 +BEND261 BEND ASP AJ 67 ? ASN AJ 68 ? ASP v 67 ASN v 68 +HELX_RH_AL_P162 HELX_RH_AL_P ILE AJ 69 ? LYS AJ 77 ? ILE v 69 LYS v 77 +BEND262 BEND ASN AJ 78 ? ASN AJ 78 ? ASN v 78 ASN v 78 +STRN161 STRN THR AJ 80 ? THR AJ 80 ? THR v 80 THR v 80 +TURN_TY1_P285 TURN_TY1_P TYR AJ 82 ? ASP AJ 83 ? TYR v 82 ASP v 83 +BEND263 BEND GLY AJ 84 ? GLY AJ 84 ? GLY v 84 GLY v 84 +BEND264 BEND GLN AJ 86 ? GLN AJ 86 ? GLN v 86 GLN v 86 +STRN162 STRN GLU AJ 87 ? GLU AJ 87 ? GLU v 87 GLU v 87 +TURN_TY1_P286 TURN_TY1_P ALA AJ 89 ? VAL AJ 91 ? ALA v 89 VAL v 91 +BEND265 BEND HIS AJ 92 ? HIS AJ 92 ? HIS v 92 HIS v 92 +BEND266 BEND LEU AJ 95 ? LEU AJ 95 ? LEU v 95 LEU v 95 +TURN_TY1_P287 TURN_TY1_P ARG AJ 96 ? ILE AJ 100 ? ARG v 96 ILE v 100 +BEND267 BEND PHE AJ 101 ? PHE AJ 101 ? PHE v 101 PHE v 101 +HELX_RH_3T_P88 HELX_RH_3T_P PRO AJ 102 ? MET AJ 104 ? PRO v 102 MET v 104 +TURN_TY1_P288 TURN_TY1_P ARG AJ 105 ? ASN AJ 106 ? ARG v 105 ASN v 106 +HELX_RH_AL_P163 HELX_RH_AL_P GLU AJ 109 ? LEU AJ 126 ? GLU v 109 LEU v 126 +HELX_RH_3T_P89 HELX_RH_3T_P GLY AJ 127 ? LYS AJ 129 ? GLY v 127 LYS v 129 +TURN_TY1_P289 TURN_TY1_P TRP AJ 130 ? GLY AJ 132 ? TRP v 130 GLY v 132 +HELX_RH_3T_P90 HELX_RH_3T_P LYS AJ 134 ? TYR AJ 136 ? LYS v 134 TYR v 136 +HELX_RH_AL_P164 HELX_RH_AL_P PRO AK 4 ? ILE AK 33 ? PRO x 5 ILE x 34 +BEND268 BEND ASP AK 34 ? ASP AK 34 ? ASP x 35 ASP x 35 +HELX_LH_PP_P35 HELX_LH_PP_P LYS AK 35 ? GLN AK 37 ? LYS x 36 GLN x 38 +HELX_RH_AL_P165 HELX_RH_AL_P ILE AL 2 ? VAL AL 24 ? ILE y 19 VAL y 41 +TURN_TY1_P290 TURN_TY1_P ARG AL 25 ? ARG AL 26 ? ARG y 42 ARG y 43 +HELX_RH_AL_P166 HELX_RH_AL_P THR AM 2 ? TYR AM 27 ? THR z 2 TYR z 27 +TURN_TY1_P291 TURN_TY1_P ALA AM 28 ? ALA AM 28 ? ALA z 28 ALA z 28 +BEND269 BEND PRO AM 30 ? ASP AM 32 ? PRO z 30 ASP z 32 +HELX_RH_AL_P167 HELX_RH_AL_P TRP AM 33 ? LEU AM 57 ? TRP z 33 LEU z 57 +TURN_TY1_P292 TURN_TY1_P ASN AM 58 ? VAL AM 61 ? ASN z 58 VAL z 61 +#